smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc(CCN2CCOCC2)cc1)c1cccc2ccccc21 ZINC000176579382 837449125 /nfs/dbraw/zinc/44/91/25/837449125.db2.gz KUTNGVVRLOULNU-UHFFFAOYSA-N -1 3 396.512 3.515 20 0 GHADHM COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)cc(OC)c1[O-] ZINC000186977012 837528013 /nfs/dbraw/zinc/52/80/13/837528013.db2.gz VFGOUIJGGGSGLU-UHFFFAOYSA-N -1 3 377.387 3.887 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024887727 837530804 /nfs/dbraw/zinc/53/08/04/837530804.db2.gz WEPUUNFAOLGJSE-AWEZNQCLSA-N -1 3 390.505 3.762 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000613323396 837611615 /nfs/dbraw/zinc/61/16/15/837611615.db2.gz VGEIUYUXCIRNAK-UHFFFAOYSA-N -1 3 385.411 3.807 20 0 GHADHM N#CC(=C([O-])C(=Cc1cccs1)n1nnnc1-c1ccccc1)c1ccccn1 ZINC000049457066 834370180 /nfs/dbraw/zinc/37/01/80/834370180.db2.gz DEBFIYCLVZZXDC-MCRQTXEHSA-N -1 3 398.451 3.671 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2c1CCCC2)c1nc(C2CC2)no1 ZINC000748060243 834581476 /nfs/dbraw/zinc/58/14/76/834581476.db2.gz VKAVBDHBHGBNDT-QGZVFWFLSA-N -1 3 375.494 3.501 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1cccc2ccccc21 ZINC000065633623 834632087 /nfs/dbraw/zinc/63/20/87/834632087.db2.gz JHTRXPJFRVSNIU-UHFFFAOYSA-N -1 3 390.439 3.571 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cncc(Br)c2)c(Cl)cc1F ZINC000312429393 834700930 /nfs/dbraw/zinc/70/09/30/834700930.db2.gz UFIYNSIZQSAJFS-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3noc4c3CCCCC4)c2)n1 ZINC000128611433 834713019 /nfs/dbraw/zinc/71/30/19/834713019.db2.gz NPDRAZKIMFOAAI-UHFFFAOYSA-N -1 3 378.432 3.509 20 0 GHADHM CCc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)c1[O-] ZINC000094106216 834724787 /nfs/dbraw/zinc/72/47/87/834724787.db2.gz QKJUWDLCFBRSFY-SFHVURJKSA-N -1 3 384.501 3.725 20 0 GHADHM CC(C)c1ccc(C2(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)CCCC2)cc1 ZINC000890533869 834806572 /nfs/dbraw/zinc/80/65/72/834806572.db2.gz WAQPSIAGZIHSIH-LJQANCHMSA-N -1 3 394.519 3.513 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000654930678 834811639 /nfs/dbraw/zinc/81/16/39/834811639.db2.gz RBCCZEOHALFUSE-SNVBAGLBSA-N -1 3 398.410 3.555 20 0 GHADHM C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1n1ccnc1 ZINC000129434722 834869603 /nfs/dbraw/zinc/86/96/03/834869603.db2.gz JRUIFBOSBCKSIN-HIFRSBDPSA-N -1 3 395.488 3.524 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000683170847 834905123 /nfs/dbraw/zinc/90/51/23/834905123.db2.gz BKTILRLIDJHBDH-ZDUSSCGKSA-N -1 3 399.821 3.983 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000458658885 834958699 /nfs/dbraw/zinc/95/86/99/834958699.db2.gz OHEJCXOPRWKPBC-GFCCVEGCSA-N -1 3 387.793 3.914 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(-c2ccccc2)ns1 ZINC000511281464 834975087 /nfs/dbraw/zinc/97/50/87/834975087.db2.gz MZGWZILBPUPPGH-UHFFFAOYSA-N -1 3 399.273 3.895 20 0 GHADHM COCCOc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000685620844 835230136 /nfs/dbraw/zinc/23/01/36/835230136.db2.gz GOUAZOPJEBKNFV-GFCCVEGCSA-N -1 3 379.840 3.570 20 0 GHADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCC1 ZINC000131965140 835306640 /nfs/dbraw/zinc/30/66/40/835306640.db2.gz GSRJTPYMDNSPIF-CYBMUJFWSA-N -1 3 376.453 3.545 20 0 GHADHM O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000255634694 835370899 /nfs/dbraw/zinc/37/08/99/835370899.db2.gz QBMCVLNTUJVXSF-TWGQIWQCSA-N -1 3 384.863 3.936 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611799452 835381911 /nfs/dbraw/zinc/38/19/11/835381911.db2.gz OFDWMEBOSKMNCU-KRWDZBQOSA-N -1 3 375.472 3.677 20 0 GHADHM CCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000030432837 835514179 /nfs/dbraw/zinc/51/41/79/835514179.db2.gz AUEPVBDEEYFHFS-UHFFFAOYSA-N -1 3 396.317 3.941 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cc(Br)ccc2F)c([O-])c1 ZINC000536211669 835571189 /nfs/dbraw/zinc/57/11/89/835571189.db2.gz XNHHIHUAVMGLIB-UHFFFAOYSA-N -1 3 396.212 3.652 20 0 GHADHM Cc1cccc2c1CN(C(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)CC2 ZINC000683257618 835747449 /nfs/dbraw/zinc/74/74/49/835747449.db2.gz DVLIDFXFXYLUSO-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000472316611 835798470 /nfs/dbraw/zinc/79/84/70/835798470.db2.gz WRHVLVOCVLPLJH-CVEARBPZSA-N -1 3 377.441 3.539 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549676032 844094536 /nfs/dbraw/zinc/09/45/36/844094536.db2.gz IDNJWERLKNDZAR-HNNXBMFYSA-N -1 3 376.460 3.748 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000430291705 836027544 /nfs/dbraw/zinc/02/75/44/836027544.db2.gz ABEIJFMELCQPFH-JTQLQIEISA-N -1 3 384.657 3.892 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429970683 844123461 /nfs/dbraw/zinc/12/34/61/844123461.db2.gz CBLYDCKVALCPHW-OAHLLOKOSA-N -1 3 388.269 3.529 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3c3ccncc3)cc2)cc(=O)[n-]1 ZINC000509889512 844125328 /nfs/dbraw/zinc/12/53/28/844125328.db2.gz FWSMIOGPKJYVKB-LJQANCHMSA-N -1 3 375.432 3.922 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964139 844129256 /nfs/dbraw/zinc/12/92/56/844129256.db2.gz QSWYCMUGQLQSMB-UHFFFAOYSA-N -1 3 393.672 3.836 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@H]3CCCC3(F)F)n2)cc1 ZINC000569919254 836155434 /nfs/dbraw/zinc/15/54/34/836155434.db2.gz UWHHOGUCSKHFEK-SWLSCSKDSA-N -1 3 399.463 3.715 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000613412503 836337498 /nfs/dbraw/zinc/33/74/98/836337498.db2.gz SVUTWTUSAJEHDT-NSHDSACASA-N -1 3 385.411 3.807 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1F ZINC000433439440 844156935 /nfs/dbraw/zinc/15/69/35/844156935.db2.gz JTOHAIARRQECDL-CQSZACIVSA-N -1 3 382.888 3.674 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(Oc2ccccn2)c1 ZINC000174771899 836556527 /nfs/dbraw/zinc/55/65/27/836556527.db2.gz ZYHQYPAOMLQPDO-UHFFFAOYSA-N -1 3 388.420 3.834 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000175130529 836679014 /nfs/dbraw/zinc/67/90/14/836679014.db2.gz YJANGOFBIDKUMH-GJZGRUSLSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000175199994 836703468 /nfs/dbraw/zinc/70/34/68/836703468.db2.gz NYHGRXXWQKAIKA-UHFFFAOYSA-N -1 3 395.890 3.988 20 0 GHADHM CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000120940542 836953351 /nfs/dbraw/zinc/95/33/51/836953351.db2.gz JOSTZJHRQFCEFP-UHFFFAOYSA-N -1 3 398.488 3.573 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c(C)c1 ZINC000110094948 844229873 /nfs/dbraw/zinc/22/98/73/844229873.db2.gz YNKPYRWRCQCOBU-UHFFFAOYSA-N -1 3 399.472 3.944 20 0 GHADHM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000414011879 837122904 /nfs/dbraw/zinc/12/29/04/837122904.db2.gz FJEMOYAIICLXFA-HNNXBMFYSA-N -1 3 386.467 3.956 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC000275503737 837144831 /nfs/dbraw/zinc/14/48/31/837144831.db2.gz YDEQPPORDLXFJE-BLVKFPJESA-N -1 3 388.851 3.606 20 0 GHADHM CCc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cnn1CCC(C)C ZINC000784961086 837168566 /nfs/dbraw/zinc/16/85/66/837168566.db2.gz WLHBIPALJAKJJJ-UHFFFAOYSA-N -1 3 384.436 3.604 20 0 GHADHM CCc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])sc2c1 ZINC000048029742 844245826 /nfs/dbraw/zinc/24/58/26/844245826.db2.gz ITFHUEOHRGGTAV-MRXNPFEDSA-N -1 3 395.484 3.808 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c([O-])c1 ZINC000109823370 837297912 /nfs/dbraw/zinc/29/79/12/837297912.db2.gz VXSCSPYILRSRMN-UHFFFAOYSA-N -1 3 394.515 3.823 20 0 GHADHM C[C@@H](SC[C@H]1COCCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000419356752 844260220 /nfs/dbraw/zinc/26/02/20/844260220.db2.gz HZQULFCMEHAFMO-GHMZBOCLSA-N -1 3 378.475 3.867 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000186733020 837374569 /nfs/dbraw/zinc/37/45/69/837374569.db2.gz DUQIKBBXUMTEMI-MRVPVSSYSA-N -1 3 382.404 3.691 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495440 837902136 /nfs/dbraw/zinc/90/21/36/837902136.db2.gz RHBOHAGZDFZBTC-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495440 837902144 /nfs/dbraw/zinc/90/21/44/837902144.db2.gz RHBOHAGZDFZBTC-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)cc1F ZINC000024428146 837943791 /nfs/dbraw/zinc/94/37/91/837943791.db2.gz MBUJSSCOQCJXRK-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])nc(C(F)(F)F)n1 ZINC000547971768 838087664 /nfs/dbraw/zinc/08/76/64/838087664.db2.gz GWJZADKGJNEUTD-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H](c2ccsc2)O1 ZINC000412183527 838330806 /nfs/dbraw/zinc/33/08/06/838330806.db2.gz HWBYZLNTKUMWKA-BZNIZROVSA-N -1 3 388.876 3.845 20 0 GHADHM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc2cn[nH]c21 ZINC000047119190 838334115 /nfs/dbraw/zinc/33/41/15/838334115.db2.gz HHOPMKIXKVKODM-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000613575543 838373221 /nfs/dbraw/zinc/37/32/21/838373221.db2.gz NDVZDBGZXSNGBF-HNNXBMFYSA-N -1 3 393.270 3.620 20 0 GHADHM COc1cc(F)c(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc1OC ZINC001211647250 838550973 /nfs/dbraw/zinc/55/09/73/838550973.db2.gz KGQSZFPWMAWENC-UHFFFAOYSA-N -1 3 376.771 3.972 20 0 GHADHM Cn1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)ccc1=O ZINC000179934720 838556480 /nfs/dbraw/zinc/55/64/80/838556480.db2.gz ZFXNUURYYJEMPH-UHFFFAOYSA-N -1 3 377.425 3.620 20 0 GHADHM Cc1nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(=O)[nH]c1C ZINC000180559251 838573988 /nfs/dbraw/zinc/57/39/88/838573988.db2.gz HUWIRUYXGAHSOE-UHFFFAOYSA-N -1 3 392.440 3.621 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2cc(F)cc3n[n-]nc32)cc1F ZINC000433476920 844347712 /nfs/dbraw/zinc/34/77/12/844347712.db2.gz FPNCGDOCRMYKKX-UHFFFAOYSA-N -1 3 384.342 3.685 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C)cc1Cl ZINC000129089770 844354841 /nfs/dbraw/zinc/35/48/41/844354841.db2.gz DSYZWAIBHYNXRN-JTQLQIEISA-N -1 3 378.897 3.931 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)cc1Cl ZINC000129089980 844356455 /nfs/dbraw/zinc/35/64/55/844356455.db2.gz DSYZWAIBHYNXRN-SNVBAGLBSA-N -1 3 378.897 3.931 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3(C)C)c2)n1 ZINC000275756072 838707538 /nfs/dbraw/zinc/70/75/38/838707538.db2.gz YZWNCBMKBPNBJU-CXAGYDPISA-N -1 3 381.476 3.992 20 0 GHADHM CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000182482679 838728727 /nfs/dbraw/zinc/72/87/27/838728727.db2.gz NQQXGYREPIKQBZ-MSOLQXFVSA-N -1 3 388.414 3.543 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000041868057 838788774 /nfs/dbraw/zinc/78/87/74/838788774.db2.gz DDYCIXPCCABXAN-UHFFFAOYSA-N -1 3 388.464 3.545 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(Cl)c1 ZINC000046116382 838920011 /nfs/dbraw/zinc/92/00/11/838920011.db2.gz YYFGGEPGLFSUGG-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893215516 838969137 /nfs/dbraw/zinc/96/91/37/838969137.db2.gz HTTLVOOWSPEUKE-INIZCTEOSA-N -1 3 389.455 3.520 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)c([O-])c1 ZINC000378421540 839083494 /nfs/dbraw/zinc/08/34/94/839083494.db2.gz YGRAIKIANPXRRN-UHFFFAOYSA-N -1 3 395.419 3.777 20 0 GHADHM COc1ccc(N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000182727668 839141347 /nfs/dbraw/zinc/14/13/47/839141347.db2.gz RSEKKYHUYYZJRB-BLVKFPJESA-N -1 3 378.469 3.941 20 0 GHADHM CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)cc1 ZINC001125441449 839298515 /nfs/dbraw/zinc/29/85/15/839298515.db2.gz QTFQLVVOCHLBSX-UHFFFAOYSA-N -1 3 387.213 3.761 20 0 GHADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC(C)(C)C1 ZINC000458191746 844433022 /nfs/dbraw/zinc/43/30/22/844433022.db2.gz SORORPLAFXAXAT-HXUWFJFHSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1csc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCCO3)cc2F)n1 ZINC000548090365 839464802 /nfs/dbraw/zinc/46/48/02/839464802.db2.gz NIWCEUUDZJYZKD-CYBMUJFWSA-N -1 3 386.470 3.694 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3CC(C)(C)C3)cs2)c1 ZINC000580549197 839785555 /nfs/dbraw/zinc/78/55/55/839785555.db2.gz ZIGDIVSMBCMZCE-UHFFFAOYSA-N -1 3 387.505 3.504 20 0 GHADHM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000432893295 844502610 /nfs/dbraw/zinc/50/26/10/844502610.db2.gz RRXAMLSJOMSUPC-UHFFFAOYSA-N -1 3 396.896 3.516 20 0 GHADHM COc1ccc(N[C@@H]2CCCc3c(OC)cccc32)cc1[N-]S(C)(=O)=O ZINC000194952336 840379566 /nfs/dbraw/zinc/37/95/66/840379566.db2.gz YFUYNWRQNOSFEX-MRXNPFEDSA-N -1 3 376.478 3.565 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417039971 840390307 /nfs/dbraw/zinc/39/03/07/840390307.db2.gz VKFAAAWZDMTFQL-UHFFFAOYSA-N -1 3 380.473 3.914 20 0 GHADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1csc(-c2ccccc2)n1 ZINC000500412587 840424953 /nfs/dbraw/zinc/42/49/53/840424953.db2.gz BKIIRZAPADYTJP-UHFFFAOYSA-N -1 3 380.441 3.609 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1csc(-c2ccccc2)n1 ZINC000500417781 840444441 /nfs/dbraw/zinc/44/44/41/840444441.db2.gz VHKKNBYOOLPZOE-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)CC(C)(C)C3)nc(=O)c2c1C ZINC000544117221 840521351 /nfs/dbraw/zinc/52/13/51/840521351.db2.gz OCNCMOXNWLEHRC-YPMHNXCESA-N -1 3 391.537 3.899 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2csc(Cc3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000417160854 840527713 /nfs/dbraw/zinc/52/77/13/840527713.db2.gz QJYPDQBOUPSMTN-AREMUKBSSA-N -1 3 385.514 3.556 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C2=CCCC2)cc1 ZINC000580981477 840555826 /nfs/dbraw/zinc/55/58/26/840555826.db2.gz GIOCCVOFPIFYHG-UHFFFAOYSA-N -1 3 390.483 3.994 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)n2)cc1F ZINC000473066623 840660535 /nfs/dbraw/zinc/66/05/35/840660535.db2.gz DPNIVULBECXIPF-LBPRGKRZSA-N -1 3 392.390 3.517 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C2CCC2)cc1 ZINC000584727832 840673228 /nfs/dbraw/zinc/67/32/28/840673228.db2.gz CDXCCWHMCSFPMO-UHFFFAOYSA-N -1 3 378.472 3.694 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511784992 840751112 /nfs/dbraw/zinc/75/11/12/840751112.db2.gz JELYEHRDTZOVTK-KRWDZBQOSA-N -1 3 399.249 3.850 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1N(C)C ZINC000160793823 840821725 /nfs/dbraw/zinc/82/17/25/840821725.db2.gz ZUGOKRMNTHEYIL-UHFFFAOYSA-N -1 3 378.270 3.851 20 0 GHADHM CCCCS[C@@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610486047 840848607 /nfs/dbraw/zinc/84/86/07/840848607.db2.gz LSUNPDFFISSRKP-VIFPVBQESA-N -1 3 379.263 3.857 20 0 GHADHM CCS[C@H](C(=O)Nc1cc(I)ccc1[O-])C(C)C ZINC000610490394 840946394 /nfs/dbraw/zinc/94/63/94/840946394.db2.gz OFOGIAWVMQPUGT-LBPRGKRZSA-N -1 3 379.263 3.713 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 ZINC000511855211 840962544 /nfs/dbraw/zinc/96/25/44/840962544.db2.gz MRIRDCDEADNTQW-UHFFFAOYSA-N -1 3 397.899 3.814 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCCCOC)c2)c(C)c1 ZINC000432196412 841059453 /nfs/dbraw/zinc/05/94/53/841059453.db2.gz PFFHWDZSUZPGHC-UHFFFAOYSA-N -1 3 379.478 3.610 20 0 GHADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417629515 841068919 /nfs/dbraw/zinc/06/89/19/841068919.db2.gz QKLZBUSILZIWNN-INIZCTEOSA-N -1 3 397.441 3.972 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cccc(Br)c1F)C(=O)[O-] ZINC000417631659 841070002 /nfs/dbraw/zinc/07/00/02/841070002.db2.gz VZMNGRZTETUQRV-CYBMUJFWSA-N -1 3 376.291 3.830 20 0 GHADHM COc1cccc(C[C@@H](CNCc2c(F)cccc2Br)C(=O)[O-])c1 ZINC000417648537 841084916 /nfs/dbraw/zinc/08/49/16/841084916.db2.gz JPDBYRZDYUYRGA-ZDUSSCGKSA-N -1 3 396.256 3.630 20 0 GHADHM COC(C)(C)C[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184009739 841095006 /nfs/dbraw/zinc/09/50/06/841095006.db2.gz JRXCPQCBRSEXLB-OXQOHEQNSA-N -1 3 398.503 3.573 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H]4CCCN4)no3)cc2)c1C ZINC000647155673 841198422 /nfs/dbraw/zinc/19/84/22/841198422.db2.gz DQJBZXMUEHLKLW-SFHVURJKSA-N -1 3 398.488 3.579 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1 ZINC000467080245 841245100 /nfs/dbraw/zinc/24/51/00/841245100.db2.gz DGLPUGDFHKAFHL-UHFFFAOYSA-N -1 3 390.505 3.895 20 0 GHADHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc([O-])ccc1Cl ZINC000500033499 841297066 /nfs/dbraw/zinc/29/70/66/841297066.db2.gz AJEMGHIWWWMMSX-AUUYWEPGSA-N -1 3 387.863 3.827 20 0 GHADHM CCOc1cc(CN2CCN(c3nccc(C(C)C)n3)CC2)cc(Cl)c1[O-] ZINC000656546900 841375012 /nfs/dbraw/zinc/37/50/12/841375012.db2.gz KHHZRKGBIRKQIL-UHFFFAOYSA-N -1 3 390.915 3.680 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071869381 841394718 /nfs/dbraw/zinc/39/47/18/841394718.db2.gz SNXKWOREHFDXOZ-UHFFFAOYSA-N -1 3 397.382 3.973 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071869381 841394733 /nfs/dbraw/zinc/39/47/33/841394733.db2.gz SNXKWOREHFDXOZ-UHFFFAOYSA-N -1 3 397.382 3.973 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)c1nc(-c2cccc(F)c2)no1 ZINC000432222560 841443992 /nfs/dbraw/zinc/44/39/92/841443992.db2.gz GRQKSFALLPNJBL-CDJWAVJASA-N -1 3 393.484 3.827 20 0 GHADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1cccc(OC2CC2)c1F ZINC000656574377 841450033 /nfs/dbraw/zinc/45/00/33/841450033.db2.gz UIMXPPLSWIAVCF-MRXNPFEDSA-N -1 3 381.806 3.945 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3OC(F)F)c2)n1 ZINC000049301812 841499113 /nfs/dbraw/zinc/49/91/13/841499113.db2.gz BKRCIDNCCDXSRS-UHFFFAOYSA-N -1 3 385.370 3.853 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(CC)no3)ccc2C)cc1 ZINC000545525200 841501814 /nfs/dbraw/zinc/50/18/14/841501814.db2.gz VHLKSRQKCWKNSF-UHFFFAOYSA-N -1 3 387.461 3.807 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)cc1Cl)c1ccc(Br)s1 ZINC000500146602 841524124 /nfs/dbraw/zinc/52/41/24/841524124.db2.gz PFTSMDWAPBJRKR-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM CCc1ccc(C(=O)N2CCC(Oc3c(OC)cccc3OC)CC2)c([O-])c1 ZINC000276313420 841548421 /nfs/dbraw/zinc/54/84/21/841548421.db2.gz OTSVPKWLTSENGP-UHFFFAOYSA-N -1 3 385.460 3.655 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000656628533 841610828 /nfs/dbraw/zinc/61/08/28/841610828.db2.gz NXDNTOQIKIQTPG-GFCCVEGCSA-N -1 3 392.452 3.689 20 0 GHADHM O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1nnc2ccccc2c1[O-] ZINC000091800171 841622359 /nfs/dbraw/zinc/62/23/59/841622359.db2.gz HHQKOEDKEINALQ-AWEZNQCLSA-N -1 3 379.313 3.898 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc4cccnc43)c2)n1 ZINC000049304602 841639523 /nfs/dbraw/zinc/63/95/23/841639523.db2.gz KXKAAGYJJIEUDN-UHFFFAOYSA-N -1 3 384.439 3.729 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c1Cl ZINC000651819811 841655522 /nfs/dbraw/zinc/65/55/22/841655522.db2.gz NPKDOOYEMPZAKU-OAHLLOKOSA-N -1 3 378.321 3.785 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2)C1CCCCC1 ZINC000656730227 841849127 /nfs/dbraw/zinc/84/91/27/841849127.db2.gz BPXREVPOHFETEJ-FQEVSTJZSA-N -1 3 380.554 3.748 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000656734373 841855885 /nfs/dbraw/zinc/85/58/85/841855885.db2.gz LJYGGQNGYNUIEV-GWCFXTLKSA-N -1 3 394.440 3.902 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)ccc2Br)cc1C ZINC000656738014 841862210 /nfs/dbraw/zinc/86/22/10/841862210.db2.gz PIKQDHJZZDCKHQ-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCCC[C@H]12 ZINC000656763137 841897178 /nfs/dbraw/zinc/89/71/78/841897178.db2.gz DURBZHDLDGSDAF-UMVBOHGHSA-N -1 3 396.281 3.643 20 0 GHADHM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2)n1 ZINC000549551517 841931210 /nfs/dbraw/zinc/93/12/10/841931210.db2.gz VFCYOBUPJFKPSU-UHFFFAOYSA-N -1 3 399.472 3.520 20 0 GHADHM CNC(=O)[C@H]1CCCc2sc(/C=C\c3cc(Cl)c([O-])c(OC)c3)nc21 ZINC000549617597 841981444 /nfs/dbraw/zinc/98/14/44/841981444.db2.gz LAIBSLYDCKNJFI-ZADCQDASSA-N -1 3 378.881 3.847 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(C)C ZINC000157903751 842068084 /nfs/dbraw/zinc/06/80/84/842068084.db2.gz HNWCDVPCKSCWDY-UHFFFAOYSA-N -1 3 388.489 3.710 20 0 GHADHM COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc([O-])cc(F)c1 ZINC000473137574 842073847 /nfs/dbraw/zinc/07/38/47/842073847.db2.gz BKXHMBUVYBOEPF-INIZCTEOSA-N -1 3 382.229 3.640 20 0 GHADHM COc1cccc(Cc2cnc(NC(=O)c3c[n-]c4ccccc4c3=O)s2)c1 ZINC000053793958 842100771 /nfs/dbraw/zinc/10/07/71/842100771.db2.gz NAPTZIDTLKNCDH-UHFFFAOYSA-N -1 3 391.452 3.836 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)c([O-])c1 ZINC000512013371 842129800 /nfs/dbraw/zinc/12/98/00/842129800.db2.gz ZVEZZRGMQQMWRA-UHFFFAOYSA-N -1 3 387.432 3.962 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000557211659 842165041 /nfs/dbraw/zinc/16/50/41/842165041.db2.gz SYNZSHCSRWAFMC-GTNSWQLSSA-N -1 3 387.860 3.542 20 0 GHADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512035263 842231476 /nfs/dbraw/zinc/23/14/76/842231476.db2.gz ODYUOWPXSCQDDS-KRWDZBQOSA-N -1 3 380.492 3.938 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1CCCCCCC1 ZINC000730809468 861297375 /nfs/dbraw/zinc/29/73/75/861297375.db2.gz PBRQLTZRLQCEOT-UHFFFAOYSA-N -1 3 394.306 3.988 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1=CCCC1 ZINC000184294139 842386554 /nfs/dbraw/zinc/38/65/54/842386554.db2.gz VTJPFSSILXXLMS-OAQYLSRUSA-N -1 3 378.472 3.870 20 0 GHADHM CC(=O)Nc1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1C ZINC000051272334 842388691 /nfs/dbraw/zinc/38/86/91/842388691.db2.gz JFWRXMYCAIHJGW-NSHDSACASA-N -1 3 399.472 3.786 20 0 GHADHM COCc1cccc(OCC2(CSc3nc4nncc-4c(O)[n-]3)CCC2)c1 ZINC000511949871 842528146 /nfs/dbraw/zinc/52/81/46/842528146.db2.gz GQIGFXYHBIRVGF-UHFFFAOYSA-N -1 3 386.477 3.546 20 0 GHADHM C[C@]1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCCOC1 ZINC000512148045 842649042 /nfs/dbraw/zinc/64/90/42/842649042.db2.gz PSCQKYMOPWXYBP-INIZCTEOSA-N -1 3 398.688 3.670 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccn1 ZINC000657038910 842665384 /nfs/dbraw/zinc/66/53/84/842665384.db2.gz HHMMLICEZHOUSN-SNVBAGLBSA-N -1 3 378.803 3.836 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@](CO)(C(F)(F)F)C1 ZINC000899615424 861338118 /nfs/dbraw/zinc/33/81/18/861338118.db2.gz QYFUWSLMQAILBQ-FQEVSTJZSA-N -1 3 393.405 3.564 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1ccc(F)cc1Br ZINC000390977187 842777071 /nfs/dbraw/zinc/77/70/71/842777071.db2.gz HXNUSZUPGCBFCP-SECBINFHSA-N -1 3 386.233 3.692 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000471840895 842799627 /nfs/dbraw/zinc/79/96/27/842799627.db2.gz VRKDYGTYXBHICS-JOCHJYFZSA-N -1 3 389.455 3.701 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC2(CCOCC2)O1 ZINC000279288308 842805438 /nfs/dbraw/zinc/80/54/38/842805438.db2.gz XQMSKXWHGCXVMP-INIZCTEOSA-N -1 3 383.444 3.595 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1c(F)ccc([O-])c1F ZINC000510522809 842895144 /nfs/dbraw/zinc/89/51/44/842895144.db2.gz JHFAMESWTRUXNV-CQSZACIVSA-N -1 3 389.446 3.778 20 0 GHADHM COc1cc(C=NNC(=O)c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000254743855 842968885 /nfs/dbraw/zinc/96/88/85/842968885.db2.gz MCQXUMMXUGDOLG-UHFFFAOYSA-N -1 3 383.629 3.581 20 0 GHADHM COc1ccc([O-])c(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)c1 ZINC000184873051 842972083 /nfs/dbraw/zinc/97/20/83/842972083.db2.gz KHYWNEZBUKKGPJ-UHFFFAOYSA-N -1 3 387.823 3.769 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)ccc1F ZINC000471871487 843073540 /nfs/dbraw/zinc/07/35/40/843073540.db2.gz MCQYTHWVILLNOF-CYBMUJFWSA-N -1 3 381.473 3.745 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H](C)c1cccnc1 ZINC000186410534 843078023 /nfs/dbraw/zinc/07/80/23/843078023.db2.gz PCKDAYIVJWXYOV-CYBMUJFWSA-N -1 3 394.431 3.559 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000753753542 843150542 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389.463 3.595 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OCCC ZINC000120019027 846738504 /nfs/dbraw/zinc/73/85/04/846738504.db2.gz HEXUDWZOTGMZOJ-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OCCC ZINC000120019027 846738507 /nfs/dbraw/zinc/73/85/07/846738507.db2.gz HEXUDWZOTGMZOJ-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Sc2ccccc2Cl)n1 ZINC000052779240 846835019 /nfs/dbraw/zinc/83/50/19/846835019.db2.gz QVWBAQCZFQKSLR-LLVKDONJSA-N -1 3 388.880 3.675 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccc(F)cc2)cc1 ZINC000503160315 846857478 /nfs/dbraw/zinc/85/74/78/846857478.db2.gz SXNHIUKKWVKFEG-IBGZPJMESA-N -1 3 394.381 3.764 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)C1CCCCC1 ZINC000375688512 846881036 /nfs/dbraw/zinc/88/10/36/846881036.db2.gz BBXZQUYASMICLG-UHFFFAOYSA-N -1 3 380.488 3.847 20 0 GHADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(C)c(F)cc3F)C2)cc1F ZINC000501423244 846917825 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)C(C)C)c1 ZINC000273329819 847308175 /nfs/dbraw/zinc/30/81/75/847308175.db2.gz SCTBEQBVXBCBRB-UHFFFAOYSA-N -1 3 383.404 3.585 20 0 GHADHM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1Br ZINC000414466289 847390030 /nfs/dbraw/zinc/39/00/30/847390030.db2.gz BAYYRLMUVARWCT-UHFFFAOYSA-N -1 3 398.204 3.609 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1ccc(F)cc1C(F)(F)F ZINC000420710817 847393971 /nfs/dbraw/zinc/39/39/71/847393971.db2.gz WMEKXHQAAMBWQM-SNVBAGLBSA-N -1 3 383.432 3.656 20 0 GHADHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000420726144 847401248 /nfs/dbraw/zinc/40/12/48/847401248.db2.gz NBDSZUWANOKOQU-KBPBESRZSA-N -1 3 386.926 3.699 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503238538 847506552 /nfs/dbraw/zinc/50/65/52/847506552.db2.gz AUFYPKCHGSEBIS-KRWDZBQOSA-N -1 3 391.880 3.602 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000422595724 847728151 /nfs/dbraw/zinc/72/81/51/847728151.db2.gz ZXLHUSATTHCDFG-HACGYAERSA-N -1 3 399.318 3.700 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000582605859 847747017 /nfs/dbraw/zinc/74/70/17/847747017.db2.gz WKKSGESNWIXRFT-DVRVPYBTSA-N -1 3 394.515 3.615 20 0 GHADHM CCn1c(CN2CC[C@H](c3ccc(OC)cc3)C2)nc2cc(C(=O)[O-])ccc21 ZINC000582612229 847783591 /nfs/dbraw/zinc/78/35/91/847783591.db2.gz RHENPXFOGZATHY-KRWDZBQOSA-N -1 3 379.460 3.753 20 0 GHADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2OC)c(F)c1)OC ZINC000421157281 847791063 /nfs/dbraw/zinc/79/10/63/847791063.db2.gz RIIFREZWJUMLFS-CQSZACIVSA-N -1 3 383.441 3.793 20 0 GHADHM O=C(CCc1cc2ccccc2[nH]c1=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000503578879 847813824 /nfs/dbraw/zinc/81/38/24/847813824.db2.gz IGELTHWCCMQPKG-UHFFFAOYSA-N -1 3 394.381 3.602 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000582671377 847978774 /nfs/dbraw/zinc/97/87/74/847978774.db2.gz NOUZBHVCKUVPTH-UHFFFAOYSA-N -1 3 377.387 3.585 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1ccco1 ZINC000582688301 848013568 /nfs/dbraw/zinc/01/35/68/848013568.db2.gz WUFQLBFGVDXIMF-CQSZACIVSA-N -1 3 395.278 3.879 20 0 GHADHM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000116712482 848036812 /nfs/dbraw/zinc/03/68/12/848036812.db2.gz QBVVTQUHEZFEBF-XMMPIXPASA-N -1 3 379.547 3.873 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CC2)c(Cl)cc1Cl ZINC000022972072 848080402 /nfs/dbraw/zinc/08/04/02/848080402.db2.gz GACFXZKORLRROK-JTQLQIEISA-N -1 3 393.336 3.600 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)ccc1F ZINC000728503873 848103634 /nfs/dbraw/zinc/10/36/34/848103634.db2.gz DBNMWZDGDPRDRU-UHFFFAOYSA-N -1 3 395.452 3.899 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C)c2)c2ccc(Cl)cc2)no1 ZINC000179987542 861886734 /nfs/dbraw/zinc/88/67/34/861886734.db2.gz IJVAVKSZGPHCKO-MRXNPFEDSA-N -1 3 395.843 3.547 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NS(=O)(=O)C=Cc3ccc(F)cc3)c2)n1 ZINC000255545614 848297063 /nfs/dbraw/zinc/29/70/63/848297063.db2.gz JDIZWJDMUAEFBC-KHPPLWFESA-N -1 3 399.447 3.963 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000582818642 848470124 /nfs/dbraw/zinc/47/01/24/848470124.db2.gz MCNWNLXJDOOLBH-UHFFFAOYSA-N -1 3 394.440 3.638 20 0 GHADHM CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cncc([O-])c3)cs2)cc1 ZINC000731914674 861955839 /nfs/dbraw/zinc/95/58/39/861955839.db2.gz NYBKETUEIGYXFC-UHFFFAOYSA-N -1 3 397.456 3.848 20 0 GHADHM COc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc(OC)c1[O-] ZINC000155071722 849444907 /nfs/dbraw/zinc/44/49/07/849444907.db2.gz ACKZMQOZBWSOIK-IBGZPJMESA-N -1 3 398.846 3.977 20 0 GHADHM CN(C)c1nc2ccc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2o1 ZINC000150960090 849781677 /nfs/dbraw/zinc/78/16/77/849781677.db2.gz DRLCDASNOBLZJH-UHFFFAOYSA-N -1 3 399.394 3.855 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000899880057 862081648 /nfs/dbraw/zinc/08/16/48/862081648.db2.gz UOIMTDPHXPYDQB-UHFFFAOYSA-N -1 3 383.370 3.785 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(Cc2ccccc2)CC1 ZINC000435111798 850093119 /nfs/dbraw/zinc/09/31/19/850093119.db2.gz SCTQSILLUPXIRD-UHFFFAOYSA-N -1 3 389.293 3.977 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)no1 ZINC000506614924 850109899 /nfs/dbraw/zinc/10/98/99/850109899.db2.gz ILONDDDEAJPFEM-UHFFFAOYSA-N -1 3 392.399 3.855 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000486821253 850143478 /nfs/dbraw/zinc/14/34/78/850143478.db2.gz LVPKEDIRRPBRFI-YFKPBYRVSA-N -1 3 390.330 3.619 20 0 GHADHM Cc1ccc([C@H](CNc2nc3ccccc3c(C)c2C(=O)[O-])N2CCCC2)o1 ZINC000514674837 850149158 /nfs/dbraw/zinc/14/91/58/850149158.db2.gz JHFNSKFYOUFNKG-SFHVURJKSA-N -1 3 379.460 3.814 20 0 GHADHM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000503189361 862097738 /nfs/dbraw/zinc/09/77/38/862097738.db2.gz KWDOQDBPPDNZAO-UHFFFAOYSA-N -1 3 398.488 3.763 20 0 GHADHM COc1ccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cc1 ZINC000043642817 850157574 /nfs/dbraw/zinc/15/75/74/850157574.db2.gz ZAJCWGVAYBOADK-UHFFFAOYSA-N -1 3 375.643 3.877 20 0 GHADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000435214316 850219782 /nfs/dbraw/zinc/21/97/82/850219782.db2.gz BKLPOELKHNWRJF-SECBINFHSA-N -1 3 392.315 3.868 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220588 850226443 /nfs/dbraw/zinc/22/64/43/850226443.db2.gz QCIRGZBGMHIFDL-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000505629913 850235641 /nfs/dbraw/zinc/23/56/41/850235641.db2.gz FXYPNCVWEJSRHT-SNVBAGLBSA-N -1 3 390.336 3.714 20 0 GHADHM Cc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1C ZINC000908615134 850236622 /nfs/dbraw/zinc/23/66/22/850236622.db2.gz UIADZSUNABKBSD-QFIPXVFZSA-N -1 3 381.476 3.544 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435224744 850242872 /nfs/dbraw/zinc/24/28/72/850242872.db2.gz GCSQXZIJMSCTAI-NWDGAFQWSA-N -1 3 382.320 3.541 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1c(F)cccc1F ZINC000435228770 850247735 /nfs/dbraw/zinc/24/77/35/850247735.db2.gz YBYQMDPNZTVITP-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM Cc1ccc([C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C(=O)[O-])cc1C ZINC000908751095 850328000 /nfs/dbraw/zinc/32/80/00/850328000.db2.gz JHVAWLICSMNGLF-LEWJYISDSA-N -1 3 395.503 3.565 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)N(C)C)cc1 ZINC000908858599 850433145 /nfs/dbraw/zinc/43/31/45/850433145.db2.gz JYOSSAVQXXVTNK-ACRUOGEOSA-N -1 3 395.503 3.598 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1Cl ZINC000506689451 850445081 /nfs/dbraw/zinc/44/50/81/850445081.db2.gz LLLZQOMDWKTGKX-UHFFFAOYSA-N -1 3 385.873 3.526 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1CC ZINC000514959452 850536580 /nfs/dbraw/zinc/53/65/80/850536580.db2.gz VDDARYQJWXCJQK-AWEZNQCLSA-N -1 3 386.517 3.910 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cc1F ZINC000426525703 850562792 /nfs/dbraw/zinc/56/27/92/850562792.db2.gz TTXZPSGXQVQHDJ-JTQLQIEISA-N -1 3 389.224 3.921 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000424716865 850639747 /nfs/dbraw/zinc/63/97/47/850639747.db2.gz CDDKYAHFBJGHGP-UKRRQHHQSA-N -1 3 382.863 3.751 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CCc1ccccc1)c1cccs1 ZINC000522599859 862157132 /nfs/dbraw/zinc/15/71/32/862157132.db2.gz SBINCFBNMGDQMD-UHFFFAOYSA-N -1 3 386.498 3.985 20 0 GHADHM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000909731739 850750368 /nfs/dbraw/zinc/75/03/68/850750368.db2.gz UVUOABIAXYTRME-UHFFFAOYSA-N -1 3 384.451 3.539 20 0 GHADHM Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000435677934 850764213 /nfs/dbraw/zinc/76/42/13/850764213.db2.gz KQBUZWOIRZOQKI-HNNXBMFYSA-N -1 3 394.500 3.506 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])c1 ZINC000909790258 850789589 /nfs/dbraw/zinc/78/95/89/850789589.db2.gz AWGDHPWUHQRNCZ-NRFANRHFSA-N -1 3 380.488 3.845 20 0 GHADHM O=C([O-])[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1c1ccccc1 ZINC000909829809 850796801 /nfs/dbraw/zinc/79/68/01/850796801.db2.gz MFOBQCRDSWUEQF-FGZHOGPDSA-N -1 3 392.499 3.613 20 0 GHADHM CCOC(=O)c1cnc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c(Cl)c1 ZINC000435937892 851010852 /nfs/dbraw/zinc/01/08/52/851010852.db2.gz DFSIWZQBUPNZNR-UHFFFAOYSA-N -1 3 398.850 3.593 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cc(Cl)ccc3Br)n[n-]2)o1 ZINC000434360659 851031112 /nfs/dbraw/zinc/03/11/12/851031112.db2.gz RYMOVMYAZKCKKZ-UHFFFAOYSA-N -1 3 395.644 3.970 20 0 GHADHM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000436029723 851118784 /nfs/dbraw/zinc/11/87/84/851118784.db2.gz SOYYRUICRSDZQV-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM NS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC2CCCC2)s1 ZINC000519516092 851172051 /nfs/dbraw/zinc/17/20/51/851172051.db2.gz SCJWCSHQMAGSAZ-UHFFFAOYSA-N -1 3 382.532 3.683 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)cc1C ZINC000515632342 851273318 /nfs/dbraw/zinc/27/33/18/851273318.db2.gz NIFOACLCDYYAEY-UHFFFAOYSA-N -1 3 385.489 3.915 20 0 GHADHM Cc1cc(SCC(=O)NCc2ncccc2[O-])c(C)cc1Br ZINC000473633074 851300163 /nfs/dbraw/zinc/30/01/63/851300163.db2.gz GHTNDHWQPTXCRH-UHFFFAOYSA-N -1 3 381.295 3.575 20 0 GHADHM CC(C)[C@H](C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)N1CCCCC1 ZINC000910703482 851335366 /nfs/dbraw/zinc/33/53/66/851335366.db2.gz FFSPXDRNBWBPPD-OAHLLOKOSA-N -1 3 383.286 3.596 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ncccc3[O-])cc12 ZINC000473643161 851357833 /nfs/dbraw/zinc/35/78/33/851357833.db2.gz QTKFIFNHZCSIIO-UHFFFAOYSA-N -1 3 396.447 3.624 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000466560137 862238038 /nfs/dbraw/zinc/23/80/38/862238038.db2.gz WPCFDGCZVUKUAW-CABCVRRESA-N -1 3 397.846 3.842 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC1CCC1 ZINC000111069341 851521853 /nfs/dbraw/zinc/52/18/53/851521853.db2.gz ZYQGEKQSBJSYQI-UHFFFAOYSA-N -1 3 390.480 3.807 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911300325 851672700 /nfs/dbraw/zinc/67/27/00/851672700.db2.gz KBVYQLSVNXHNDE-UHFFFAOYSA-N -1 3 395.286 3.896 20 0 GHADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F ZINC000488692169 851708845 /nfs/dbraw/zinc/70/88/45/851708845.db2.gz CHOCTTVUYKVFQO-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM COc1cccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000488732061 851726601 /nfs/dbraw/zinc/72/66/01/851726601.db2.gz YVSFVHKXYYODHA-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=S)Nc2ccc3ccccc3c2)CC1 ZINC000044138045 851826029 /nfs/dbraw/zinc/82/60/29/851826029.db2.gz FXABOSQOSLFNRF-UHFFFAOYSA-N -1 3 391.496 3.700 20 0 GHADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488922281 851862712 /nfs/dbraw/zinc/86/27/12/851862712.db2.gz XIFOZMKNODFOND-JTQLQIEISA-N -1 3 395.349 3.729 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cnn4ccc(C)nc34)n2)cc1 ZINC000440464428 851882468 /nfs/dbraw/zinc/88/24/68/851882468.db2.gz GCUIRKURZNQOCL-UHFFFAOYSA-N -1 3 382.474 3.530 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)c(C)c1 ZINC000517475779 852019376 /nfs/dbraw/zinc/01/93/76/852019376.db2.gz DDBKOLSQWOTPMH-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([O-])c1 ZINC000436530429 852020886 /nfs/dbraw/zinc/02/08/86/852020886.db2.gz CBBHJNOIIXYTEP-HNNXBMFYSA-N -1 3 381.407 3.910 20 0 GHADHM O=C(NCCCc1nnc2ccccn21)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436535251 852028259 /nfs/dbraw/zinc/02/82/59/852028259.db2.gz RIFBPOALSWDSIR-UHFFFAOYSA-N -1 3 388.427 3.590 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([O-])c1 ZINC000436537607 852047007 /nfs/dbraw/zinc/04/70/07/852047007.db2.gz SEPVMQAAWCQQGF-HNNXBMFYSA-N -1 3 381.407 3.910 20 0 GHADHM CNC(=O)COc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436562819 852065875 /nfs/dbraw/zinc/06/58/75/852065875.db2.gz BPJOUYUWAZOWAZ-UHFFFAOYSA-N -1 3 392.411 3.562 20 0 GHADHM O=C(NCCCOCC1CCOCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436563767 852066942 /nfs/dbraw/zinc/06/69/42/852066942.db2.gz QIURXJRVUAEZDM-UHFFFAOYSA-N -1 3 383.488 3.546 20 0 GHADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436572569 852075346 /nfs/dbraw/zinc/07/53/46/852075346.db2.gz ZOVZUIFZXXAXAD-YXGLXVCQSA-N -1 3 377.484 3.673 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c([O-])c1 ZINC000436580438 852088985 /nfs/dbraw/zinc/08/89/85/852088985.db2.gz WRWSRJZLBKDWTH-IBGZPJMESA-N -1 3 380.488 3.940 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c([O-])c1C ZINC000436583956 852091616 /nfs/dbraw/zinc/09/16/16/852091616.db2.gz IEHDPTGROPZXHZ-UHFFFAOYSA-N -1 3 383.839 3.768 20 0 GHADHM CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2F)ccn1 ZINC000436602022 852100680 /nfs/dbraw/zinc/10/06/80/852100680.db2.gz JLJHKQULRFPAJE-UHFFFAOYSA-N -1 3 395.390 3.639 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000517580098 852130796 /nfs/dbraw/zinc/13/07/96/852130796.db2.gz SLANYLWPYYUPLE-UHFFFAOYSA-N -1 3 398.750 3.570 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCC[C@H](C)C3)cs2)c1 ZINC000436637164 852131734 /nfs/dbraw/zinc/13/17/34/852131734.db2.gz ZFXBTNNTSDRFRY-JSGCOSHPSA-N -1 3 387.505 3.647 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436639076 852133156 /nfs/dbraw/zinc/13/31/56/852133156.db2.gz IOIDCRKUBKDSQR-YCRPNKLZSA-N -1 3 384.451 3.569 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(COc3ccccc3)cc2)c1 ZINC000517609164 852148942 /nfs/dbraw/zinc/14/89/42/852148942.db2.gz AARMPGJGJSDKBE-UHFFFAOYSA-N -1 3 390.439 3.860 20 0 GHADHM CCOc1ccc(CN2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436643393 852152897 /nfs/dbraw/zinc/15/28/97/852152897.db2.gz XHUNCRUHBBDQMX-UHFFFAOYSA-N -1 3 382.504 3.872 20 0 GHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000436644956 852152976 /nfs/dbraw/zinc/15/29/76/852152976.db2.gz AAQIBVDHMVZUGV-CYBMUJFWSA-N -1 3 394.402 3.980 20 0 GHADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c1[O-] ZINC000436647765 852156741 /nfs/dbraw/zinc/15/67/41/852156741.db2.gz LAQXMKBHSBKZNC-UHFFFAOYSA-N -1 3 388.851 3.933 20 0 GHADHM CC1(C)CN(C2(CNC(=O)c3ccc([O-])c(Cl)c3)CCCCC2)CCO1 ZINC000436671070 852168799 /nfs/dbraw/zinc/16/87/99/852168799.db2.gz UFOAZMRGNCJRGB-UHFFFAOYSA-N -1 3 380.916 3.589 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2)o1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436671024 852168915 /nfs/dbraw/zinc/16/89/15/852168915.db2.gz IPMYHYHTJOYBKI-LJQANCHMSA-N -1 3 390.439 3.573 20 0 GHADHM C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(O)cc1[O-])OCCO3 ZINC000436673406 852173536 /nfs/dbraw/zinc/17/35/36/852173536.db2.gz KFNWEHLLRHBIOR-CQSZACIVSA-N -1 3 395.455 3.898 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000436674696 852174898 /nfs/dbraw/zinc/17/48/98/852174898.db2.gz WOAMNTWPYTYURY-UHFFFAOYSA-N -1 3 381.350 3.765 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436678146 852187098 /nfs/dbraw/zinc/18/70/98/852187098.db2.gz BDYISDZASVXBBZ-INIZCTEOSA-N -1 3 398.478 3.521 20 0 GHADHM CCOCCOCc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436682281 852191810 /nfs/dbraw/zinc/19/18/10/852191810.db2.gz QIULANAVGOJPMS-UHFFFAOYSA-N -1 3 385.460 3.911 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000436685907 852194995 /nfs/dbraw/zinc/19/49/95/852194995.db2.gz MXHAANHQEULUOH-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436694999 852207775 /nfs/dbraw/zinc/20/77/75/852207775.db2.gz CLNCLJPIHMIEFT-FQEVSTJZSA-N -1 3 394.515 3.698 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)C)c2)c(C)c1 ZINC000112266924 852211008 /nfs/dbraw/zinc/21/10/08/852211008.db2.gz HRRXKZXNSUTWEZ-UHFFFAOYSA-N -1 3 395.546 3.736 20 0 GHADHM CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436698988 852212962 /nfs/dbraw/zinc/21/29/62/852212962.db2.gz RSKRKGXKHOIMGB-MRXNPFEDSA-N -1 3 382.460 3.705 20 0 GHADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436701035 852217314 /nfs/dbraw/zinc/21/73/14/852217314.db2.gz BKAKBOYFLKVJTI-WOJBJXKFSA-N -1 3 394.515 3.554 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c([O-])c1 ZINC000436704254 852223358 /nfs/dbraw/zinc/22/33/58/852223358.db2.gz GOWCGTZXCFJNBU-OAHLLOKOSA-N -1 3 375.387 3.753 20 0 GHADHM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436726861 852229751 /nfs/dbraw/zinc/22/97/51/852229751.db2.gz ZSMSCYABFWFCLR-FQEVSTJZSA-N -1 3 394.515 3.698 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H](CC2CC2)C1 ZINC000436722461 852248592 /nfs/dbraw/zinc/24/85/92/852248592.db2.gz NPXDJKFZJWOBFB-PGRDOPGGSA-N -1 3 392.499 3.902 20 0 GHADHM CCc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1ccccc1F ZINC000436722420 852248742 /nfs/dbraw/zinc/24/87/42/852248742.db2.gz NFDHQFRSDAPDTJ-UHFFFAOYSA-N -1 3 394.328 3.946 20 0 GHADHM CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436739424 852257611 /nfs/dbraw/zinc/25/76/11/852257611.db2.gz ODSXDONIICAHIX-NRFANRHFSA-N -1 3 394.515 3.556 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436762992 852283499 /nfs/dbraw/zinc/28/34/99/852283499.db2.gz VMIOXFPTZGVIGA-IBGZPJMESA-N -1 3 380.488 3.611 20 0 GHADHM COc1c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cccc1C(N)=O ZINC000436746894 852286254 /nfs/dbraw/zinc/28/62/54/852286254.db2.gz JAXSECXVYXYKOU-UHFFFAOYSA-N -1 3 378.384 3.544 20 0 GHADHM Cc1csc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000436753215 852294821 /nfs/dbraw/zinc/29/48/21/852294821.db2.gz CVRHYBAEYCDTGV-UHFFFAOYSA-N -1 3 395.484 3.912 20 0 GHADHM CCOC(=O)C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC001127063033 852295801 /nfs/dbraw/zinc/29/58/01/852295801.db2.gz YIOIJOOHVAAWBN-HNNXBMFYSA-N -1 3 383.341 3.867 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436778854 852314321 /nfs/dbraw/zinc/31/43/21/852314321.db2.gz UEHYHJOZTURMQW-UHFFFAOYSA-N -1 3 397.475 3.559 20 0 GHADHM COc1ccc(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)cc1 ZINC000436780223 852314823 /nfs/dbraw/zinc/31/48/23/852314823.db2.gz YXXNCFRTIJIEGJ-UHFFFAOYSA-N -1 3 382.401 3.793 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CCC[C@H]3C)cs2)c1 ZINC000436779700 852315872 /nfs/dbraw/zinc/31/58/72/852315872.db2.gz MEQBLLJKYOIAKN-KGLIPLIRSA-N -1 3 387.505 3.504 20 0 GHADHM COCCSc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436785429 852338604 /nfs/dbraw/zinc/33/86/04/852338604.db2.gz DVQSTFQOFIXSIF-ZDUSSCGKSA-N -1 3 388.489 3.580 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1[O-] ZINC000436794023 852350879 /nfs/dbraw/zinc/35/08/79/852350879.db2.gz UTBLWIJZHUHDGM-HNNXBMFYSA-N -1 3 399.466 3.905 20 0 GHADHM CCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c([O-])c1 ZINC000436812825 852372272 /nfs/dbraw/zinc/37/22/72/852372272.db2.gz NJPAPOQMIQSYCQ-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CC[C@@H](C)[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436832343 852383275 /nfs/dbraw/zinc/38/32/75/852383275.db2.gz ZXEWFNXBRGSBFZ-DYESRHJHSA-N -1 3 380.488 3.507 20 0 GHADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436820904 852389345 /nfs/dbraw/zinc/38/93/45/852389345.db2.gz IUDUTDRBLASJLO-UHFFFAOYSA-N -1 3 383.448 3.808 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000426806285 852395456 /nfs/dbraw/zinc/39/54/56/852395456.db2.gz JFHIERWZSWZRMT-QGZVFWFLSA-N -1 3 383.366 3.942 20 0 GHADHM CCC(CC)(CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OC ZINC000436839536 852405395 /nfs/dbraw/zinc/40/53/95/852405395.db2.gz QBCKCNBHNSCWBG-HXUWFJFHSA-N -1 3 398.503 3.575 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CC[C@@H](C)C3)cs2)c1 ZINC000436877158 852442095 /nfs/dbraw/zinc/44/20/95/852442095.db2.gz NCFSNTGYPARCAX-DOMZBBRYSA-N -1 3 387.505 3.599 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cncc(Cl)c1 ZINC000507006191 852444203 /nfs/dbraw/zinc/44/42/03/852444203.db2.gz DADWMDDBPHYRPI-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1ccc(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436902982 852467852 /nfs/dbraw/zinc/46/78/52/852467852.db2.gz LMPIYSVFOSYQTM-UHFFFAOYSA-N -1 3 385.851 3.630 20 0 GHADHM CN(Cc1ccoc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436906607 852472406 /nfs/dbraw/zinc/47/24/06/852472406.db2.gz DQEZZMCJMYCMGE-HXUWFJFHSA-N -1 3 378.428 3.505 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CC[C@@H](C)C3)cs2)c1 ZINC000436913257 852478752 /nfs/dbraw/zinc/47/87/52/852478752.db2.gz ISHGPRPYCXBOKN-TZMCWYRMSA-N -1 3 387.505 3.504 20 0 GHADHM NC(=O)c1ccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cc1 ZINC000436895824 852482008 /nfs/dbraw/zinc/48/20/08/852482008.db2.gz VSNDLOSRRHJEJN-UHFFFAOYSA-N -1 3 387.395 3.787 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(-c3cccnc3)ccc2C)c([O-])c1 ZINC000436898946 852484652 /nfs/dbraw/zinc/48/46/52/852484652.db2.gz IINJEEUCWRPLNY-UHFFFAOYSA-N -1 3 389.455 3.830 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N(Cc1cc(Br)ccc1F)C1CC1 ZINC000436913477 852491464 /nfs/dbraw/zinc/49/14/64/852491464.db2.gz GXKZCIIPJVFHRU-UHFFFAOYSA-N -1 3 380.213 3.804 20 0 GHADHM CSc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436918077 852497608 /nfs/dbraw/zinc/49/76/08/852497608.db2.gz GFWRMQFFGAHHII-UHFFFAOYSA-N -1 3 385.489 3.540 20 0 GHADHM COc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([O-])c1 ZINC000436918214 852497824 /nfs/dbraw/zinc/49/78/24/852497824.db2.gz FKJADRXYSXXXIS-CQSZACIVSA-N -1 3 389.757 3.536 20 0 GHADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000436921800 852502594 /nfs/dbraw/zinc/50/25/94/852502594.db2.gz XCYXSPDDPJYUFR-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM Cc1cc(C)c(C[C@@H](C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)C(F)(F)F)c(C)c1 ZINC000473850331 852517398 /nfs/dbraw/zinc/51/73/98/852517398.db2.gz OAQXOAYVCLCGRE-DOTOQJQBSA-N -1 3 395.425 3.968 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000436945682 852528207 /nfs/dbraw/zinc/52/82/07/852528207.db2.gz NKZXYJYIEYKBCO-MSOLQXFVSA-N -1 3 398.890 3.570 20 0 GHADHM CCNc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436976813 852563442 /nfs/dbraw/zinc/56/34/42/852563442.db2.gz ASMIVTPHKURFFF-UHFFFAOYSA-N -1 3 375.856 3.544 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cc(C(F)F)ccc1Cl ZINC000436983661 852592172 /nfs/dbraw/zinc/59/21/72/852592172.db2.gz KRDOJLOKFWRWGN-UHFFFAOYSA-N -1 3 383.782 3.535 20 0 GHADHM CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000436985839 852596171 /nfs/dbraw/zinc/59/61/71/852596171.db2.gz DJYJJHQCWCIXIT-MRXNPFEDSA-N -1 3 376.859 3.921 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C(C)C)ccc1F ZINC000031889762 852641143 /nfs/dbraw/zinc/64/11/43/852641143.db2.gz FZBCUMWGVFLZDW-IBGZPJMESA-N -1 3 392.496 3.640 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000506312410 852674062 /nfs/dbraw/zinc/67/40/62/852674062.db2.gz ZRFKVVXKJVGSFM-CZUORRHYSA-N -1 3 399.545 3.646 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSC2CC2)cc1 ZINC000516548511 852704114 /nfs/dbraw/zinc/70/41/14/852704114.db2.gz RIIFKTWSKUKLSL-UHFFFAOYSA-N -1 3 390.530 3.938 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)CCCCC1 ZINC000427101497 852720427 /nfs/dbraw/zinc/72/04/27/852720427.db2.gz QYYWUTXDEKGBDO-UHFFFAOYSA-N -1 3 392.477 3.515 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000427115909 852746708 /nfs/dbraw/zinc/74/67/08/852746708.db2.gz WGNQPCTVPKZSSC-UHFFFAOYSA-N -1 3 393.770 3.735 20 0 GHADHM O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cc(Cl)ccc1[O-] ZINC000518050493 852768417 /nfs/dbraw/zinc/76/84/17/852768417.db2.gz RJMGFWDGSPBAQZ-UHFFFAOYSA-N -1 3 386.791 3.908 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(F)c(Br)c1 ZINC000438754603 852805652 /nfs/dbraw/zinc/80/56/52/852805652.db2.gz CVUCJPQZRZAAAK-UHFFFAOYSA-N -1 3 386.242 3.714 20 0 GHADHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3c[n-]c4ccccc4c3=O)nc21 ZINC000294182410 852833632 /nfs/dbraw/zinc/83/36/32/852833632.db2.gz NSHQBHOZFKRATH-LBPRGKRZSA-N -1 3 397.456 3.632 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473856912 852884068 /nfs/dbraw/zinc/88/40/68/852884068.db2.gz MPZWHBZGEFCNPA-BLLLJJGKSA-N -1 3 392.297 3.653 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473858678 852976272 /nfs/dbraw/zinc/97/62/72/852976272.db2.gz XLEOSKVHXQFGSC-GFCCVEGCSA-N -1 3 390.654 3.661 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752640 862415532 /nfs/dbraw/zinc/41/55/32/862415532.db2.gz LJOIBYAGNLODDE-ZJUUUORDSA-N -1 3 385.247 3.753 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)nc1-c1ccccc1 ZINC000490468409 853039775 /nfs/dbraw/zinc/03/97/75/853039775.db2.gz FZYOYHFZSLFLNZ-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)[n-]c1-c1ccccc1 ZINC000490468409 853039780 /nfs/dbraw/zinc/03/97/80/853039780.db2.gz FZYOYHFZSLFLNZ-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1OCCc2sccc21 ZINC000490505936 853061025 /nfs/dbraw/zinc/06/10/25/853061025.db2.gz SQCQXBKGYUZQSS-PSLIRLAXSA-N -1 3 375.874 3.521 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1C ZINC000438981121 853155938 /nfs/dbraw/zinc/15/59/38/853155938.db2.gz BGHQHJXIVROJPA-UHFFFAOYSA-N -1 3 396.459 3.694 20 0 GHADHM O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[N-]C(=O)c1cccs1 ZINC000007156404 853184887 /nfs/dbraw/zinc/18/48/87/853184887.db2.gz HRIWDQZMMNJHQX-UHFFFAOYSA-N -1 3 391.876 3.713 20 0 GHADHM O=C(OCc1cc2c(cc1Br)OCO2)c1cc(-c2ccco2)[n-]n1 ZINC000913299650 853210940 /nfs/dbraw/zinc/21/09/40/853210940.db2.gz OAIIYHNSRZBQLD-UHFFFAOYSA-N -1 3 391.177 3.518 20 0 GHADHM O=C(OCc1cc2c(cc1Br)OCO2)c1cc(-c2ccco2)n[n-]1 ZINC000913299650 853210942 /nfs/dbraw/zinc/21/09/42/853210942.db2.gz OAIIYHNSRZBQLD-UHFFFAOYSA-N -1 3 391.177 3.518 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913295519 853219222 /nfs/dbraw/zinc/21/92/22/853219222.db2.gz GMRMKZZFCHDOKI-JTQLQIEISA-N -1 3 389.795 3.516 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913295519 853219229 /nfs/dbraw/zinc/21/92/29/853219229.db2.gz GMRMKZZFCHDOKI-JTQLQIEISA-N -1 3 389.795 3.516 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4cccs4)n3)nc21 ZINC000157788699 862452400 /nfs/dbraw/zinc/45/24/00/862452400.db2.gz PYYOYVUIQBQJBZ-UHFFFAOYSA-N -1 3 384.442 3.787 20 0 GHADHM CCOC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000518449285 853352865 /nfs/dbraw/zinc/35/28/65/853352865.db2.gz IJBFQSWPKRUAAQ-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM Cc1ccc(/C=C/CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000440549636 853370581 /nfs/dbraw/zinc/37/05/81/853370581.db2.gz XAUHYGVPNPUMDJ-SNAWJCMRSA-N -1 3 378.472 3.525 20 0 GHADHM O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290461749 853373771 /nfs/dbraw/zinc/37/37/71/853373771.db2.gz VHVYGRBOZKKCLL-INIZCTEOSA-N -1 3 392.421 3.690 20 0 GHADHM COc1cccc(C2=CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)c1 ZINC000491019707 853400351 /nfs/dbraw/zinc/40/03/51/853400351.db2.gz LGSNAOMYOVKTMZ-UHFFFAOYSA-N -1 3 396.393 3.744 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000519705894 853415709 /nfs/dbraw/zinc/41/57/09/853415709.db2.gz OXNGAHRUWIGDAX-LLVKDONJSA-N -1 3 385.386 3.672 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000623851011 862468639 /nfs/dbraw/zinc/46/86/39/862468639.db2.gz YJXBVRSJAHOEPW-JKSUJKDBSA-N -1 3 386.492 3.880 20 0 GHADHM Cc1ccc(Oc2ccccc2CNC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000518574342 853521947 /nfs/dbraw/zinc/52/19/47/853521947.db2.gz CYEJUVVKXOFFIU-UHFFFAOYSA-N -1 3 390.439 3.539 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)N(C)C)cc1 ZINC000519870654 853571145 /nfs/dbraw/zinc/57/11/45/853571145.db2.gz KGAPMBBGGOCTOR-MRXNPFEDSA-N -1 3 387.332 3.883 20 0 GHADHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440990559 853809533 /nfs/dbraw/zinc/80/95/33/853809533.db2.gz VIMRBTALBNRZER-LBPRGKRZSA-N -1 3 390.427 3.687 20 0 GHADHM O=C(Cc1cc(-c2ccccc2)on1)NCc1ccc([O-])c(Br)c1 ZINC000156520016 853835950 /nfs/dbraw/zinc/83/59/50/853835950.db2.gz RQPGJQNHRXWZLB-UHFFFAOYSA-N -1 3 387.233 3.669 20 0 GHADHM Cc1c2cc(Cl)ccc2sc1CNC(=O)NCc1cnc(C)[n-]c1=O ZINC000441049820 853872052 /nfs/dbraw/zinc/87/20/52/853872052.db2.gz MEIDVXLJHYQVAE-UHFFFAOYSA-N -1 3 376.869 3.667 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)c(Br)c1 ZINC000507737279 853968401 /nfs/dbraw/zinc/96/84/01/853968401.db2.gz MWISVADVZGDLNL-SNVBAGLBSA-N -1 3 389.224 3.921 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1C(C)C ZINC000473898927 854143737 /nfs/dbraw/zinc/14/37/37/854143737.db2.gz XRHQESJUZUJERC-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1C(C)C ZINC000473898927 854143742 /nfs/dbraw/zinc/14/37/42/854143742.db2.gz XRHQESJUZUJERC-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccco1 ZINC000473899608 854171336 /nfs/dbraw/zinc/17/13/36/854171336.db2.gz ABXMQLBHMSUHIT-LBPRGKRZSA-N -1 3 376.931 3.664 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)sc1Cl ZINC000473911233 854228748 /nfs/dbraw/zinc/22/87/48/854228748.db2.gz JKARXHFJBIMNHK-LBPRGKRZSA-N -1 3 388.917 3.654 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000894937651 854252919 /nfs/dbraw/zinc/25/29/19/854252919.db2.gz SHEIWOAIMDGJDW-HNNXBMFYSA-N -1 3 382.410 3.962 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)C(C)C)cc1 ZINC000588675043 854371225 /nfs/dbraw/zinc/37/12/25/854371225.db2.gz PHHMYTYKRUPESR-QGZVFWFLSA-N -1 3 385.432 3.658 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000051054672 854376775 /nfs/dbraw/zinc/37/67/75/854376775.db2.gz DZVNSUMSFDHNDR-LSDHHAIUSA-N -1 3 396.491 3.598 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000760705636 854440324 /nfs/dbraw/zinc/44/03/24/854440324.db2.gz LLUKLKPGGVTAQF-MRXNPFEDSA-N -1 3 397.258 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4ccccc4OC)CC3)nc2)n1 ZINC000068696313 854611982 /nfs/dbraw/zinc/61/19/82/854611982.db2.gz XXZSNFBGBDSAAZ-UHFFFAOYSA-N -1 3 376.460 3.547 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000176430496 862585955 /nfs/dbraw/zinc/58/59/55/862585955.db2.gz ZTQNHSUQOLOPBR-UHFFFAOYSA-N -1 3 380.286 3.805 20 0 GHADHM Cc1nnc([N-]C(=O)c2oc3ccccc3c2CSc2ncccn2)s1 ZINC000068918680 854636960 /nfs/dbraw/zinc/63/69/60/854636960.db2.gz GYHQOSLDBGZIJF-UHFFFAOYSA-N -1 3 383.458 3.927 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)c1nnc(CCC2CCCC2)[n-]1 ZINC000069300323 854665589 /nfs/dbraw/zinc/66/55/89/854665589.db2.gz XXYMOFRGFRLWCE-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)c1nc(CCC2CCCC2)n[n-]1 ZINC000069300323 854665590 /nfs/dbraw/zinc/66/55/90/854665590.db2.gz XXYMOFRGFRLWCE-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2oc(C(F)F)cc2C)cc1OC ZINC000624445395 854809849 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CCO[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000624606054 854943458 /nfs/dbraw/zinc/94/34/58/854943458.db2.gz KAPOIANSDLXUHW-LBPRGKRZSA-N -1 3 390.241 3.772 20 0 GHADHM O=C(NCCNc1nc(-c2cccs2)nc2ccccc21)c1ccc([O-])cc1 ZINC000071955307 854980557 /nfs/dbraw/zinc/98/05/57/854980557.db2.gz DFBYOIJVFOVJHP-UHFFFAOYSA-N -1 3 390.468 3.906 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](CC4CC4)C3)nc(=O)c2c1C ZINC000550409781 855028346 /nfs/dbraw/zinc/02/83/46/855028346.db2.gz ZOXQTNWBWOSSQJ-JSGCOSHPSA-N -1 3 389.521 3.653 20 0 GHADHM Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186412679 855033543 /nfs/dbraw/zinc/03/35/43/855033543.db2.gz RMOYWKUMXIRAGL-UHFFFAOYSA-N -1 3 389.864 3.792 20 0 GHADHM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1ccc(Cl)s1 ZINC000152314097 855132286 /nfs/dbraw/zinc/13/22/86/855132286.db2.gz OVZHERRBBZMUAC-UHFFFAOYSA-N -1 3 399.843 3.959 20 0 GHADHM CCc1cc(C(=O)Nc2cc(I)ccc2[O-])ccc1O ZINC000589844704 855161596 /nfs/dbraw/zinc/16/15/96/855161596.db2.gz 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C[C@@H](CNCc1ccc(C(=O)[O-])cn1)Sc1ccc(Br)cc1 ZINC000905723714 856509725 /nfs/dbraw/zinc/50/97/25/856509725.db2.gz FLRNJGRGTVPKML-NSHDSACASA-N -1 3 381.295 3.813 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2)cc1 ZINC000172657059 856523192 /nfs/dbraw/zinc/52/31/92/856523192.db2.gz FMPFDBREMZVJBR-UHFFFAOYSA-N -1 3 394.402 3.887 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)ccc2O1 ZINC000592007368 856535063 /nfs/dbraw/zinc/53/50/63/856535063.db2.gz XLYXRDSHKBDTLI-VIFPVBQESA-N -1 3 375.343 3.969 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000672134614 856555491 /nfs/dbraw/zinc/55/54/91/856555491.db2.gz IQHWXBRXEBGSMZ-KUHUBIRLSA-N -1 3 388.464 3.559 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(CC)c2-c2ccccc2)c([O-])c1 ZINC000427689251 856586626 /nfs/dbraw/zinc/58/66/26/856586626.db2.gz OKJFJGQKABWNPT-UHFFFAOYSA-N -1 3 379.416 3.705 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000482220844 862820941 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CCCCc1nc(NC(=O)Cc2coc(-c3ccccc3)n2)c(C(=O)OCC)[n-]1 ZINC000485700128 856974891 /nfs/dbraw/zinc/97/48/91/856974891.db2.gz FRYBVYMQYHUENQ-UHFFFAOYSA-N -1 3 396.447 3.765 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cs1 ZINC000671701832 857039320 /nfs/dbraw/zinc/03/93/20/857039320.db2.gz DONWTVDBAHSJPY-UHFFFAOYSA-N -1 3 378.397 3.699 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCC1 ZINC001128971929 857123328 /nfs/dbraw/zinc/12/33/28/857123328.db2.gz WLAIFWLAIQCGHX-MRXNPFEDSA-N -1 3 384.517 3.601 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000593047865 857199415 /nfs/dbraw/zinc/19/94/15/857199415.db2.gz DICNJSROQQQPCK-TZMCWYRMSA-N -1 3 383.448 3.776 20 0 GHADHM CCCc1ccc(CCCC(=O)Nc2c(C(=O)OC)c[n-]c2C(=O)OC)cc1 ZINC001128209549 857257025 /nfs/dbraw/zinc/25/70/25/857257025.db2.gz AWQNJZRLHFNAMB-UHFFFAOYSA-N -1 3 386.448 3.502 20 0 GHADHM C[C@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906789140 857316168 /nfs/dbraw/zinc/31/61/68/857316168.db2.gz LTIMNFQPYHBKII-ZDUSSCGKSA-N -1 3 391.493 3.513 20 0 GHADHM [O-]c1ccc(-c2nc(-c3ccc(Cl)c(I)c3)no2)nc1 ZINC001212558215 857374702 /nfs/dbraw/zinc/37/47/02/857374702.db2.gz XCFCWRAVUCMTAR-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C#N)c(Cl)cc1Cl ZINC000058685480 857411876 /nfs/dbraw/zinc/41/18/76/857411876.db2.gz DCXDMNOHXGYOCH-NXEZZACHSA-N -1 3 393.292 3.529 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000906992164 857420032 /nfs/dbraw/zinc/42/00/32/857420032.db2.gz RVPMWPRZRLYGBQ-UHFFFAOYSA-N -1 3 376.884 3.803 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(Br)nc2)s1 ZINC000907044373 857429991 /nfs/dbraw/zinc/42/99/91/857429991.db2.gz ICZCOHNJLZGKFB-UHFFFAOYSA-N -1 3 399.270 3.900 20 0 GHADHM O=C(NCCCCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000675803226 857617400 /nfs/dbraw/zinc/61/74/00/857617400.db2.gz DMAJXTZNVLYZIE-UHFFFAOYSA-N -1 3 377.282 3.977 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1F ZINC000442220737 857636759 /nfs/dbraw/zinc/63/67/59/857636759.db2.gz FULAORYLHMXORF-RTBURBONSA-N -1 3 379.453 3.617 20 0 GHADHM Cc1ccccc1C1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000521136524 857649739 /nfs/dbraw/zinc/64/97/39/857649739.db2.gz LNUVMDGPPOXVBH-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM Cc1ccccc1C1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000521136524 857649744 /nfs/dbraw/zinc/64/97/44/857649744.db2.gz LNUVMDGPPOXVBH-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000063772790 857656292 /nfs/dbraw/zinc/65/62/92/857656292.db2.gz QDVCTMILZKENLS-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000070730741 857734126 /nfs/dbraw/zinc/73/41/26/857734126.db2.gz AFNYTSDCNAHXPA-UHFFFAOYSA-N -1 3 375.413 3.740 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000070730741 857734135 /nfs/dbraw/zinc/73/41/35/857734135.db2.gz AFNYTSDCNAHXPA-UHFFFAOYSA-N -1 3 375.413 3.740 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(OC[C@H]2CCCO2)c1 ZINC000065717653 857839460 /nfs/dbraw/zinc/83/94/60/857839460.db2.gz QVZLLLFRZFOXDI-OAHLLOKOSA-N -1 3 378.428 3.647 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000065799389 857851772 /nfs/dbraw/zinc/85/17/72/857851772.db2.gz FKHZSKNTLVMYLH-SFHVURJKSA-N -1 3 381.407 3.762 20 0 GHADHM CCOC(=O)CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(C)C ZINC000594054632 857855902 /nfs/dbraw/zinc/85/59/02/857855902.db2.gz UFMQDPLZYMZWLA-UHFFFAOYSA-N -1 3 389.477 3.821 20 0 GHADHM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(-c3nc(-c4cc(=O)[n-]cn4)no3)c12 ZINC000574452215 857892924 /nfs/dbraw/zinc/89/29/24/857892924.db2.gz CDMGOFRXGUTJKE-UHFFFAOYSA-N -1 3 393.451 3.831 20 0 GHADHM CCCN(C(=O)c1ccc(C(=O)[O-])s1)C1CCN(Cc2ccccc2)CC1 ZINC000908092224 857914115 /nfs/dbraw/zinc/91/41/15/857914115.db2.gz QQEGWWKZAXKPBP-UHFFFAOYSA-N -1 3 386.517 3.963 20 0 GHADHM CCCN(C(=O)c1cc(C(=O)[O-])cnc1C)C1CCN(Cc2ccccc2)CC1 ZINC000908091285 857914192 /nfs/dbraw/zinc/91/41/92/857914192.db2.gz LIAVMRRADWIMPT-UHFFFAOYSA-N -1 3 395.503 3.605 20 0 GHADHM CC1(C)CCc2ccccc2[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000442595658 857987430 /nfs/dbraw/zinc/98/74/30/857987430.db2.gz SPNMMQUECASGRY-CYBMUJFWSA-N -1 3 381.402 3.727 20 0 GHADHM Cc1cc(Br)cn2cc(CNC(=O)c3cc([O-])ccc3Cl)nc12 ZINC000499642307 857996385 /nfs/dbraw/zinc/99/63/85/857996385.db2.gz RDRZUKXFRSUZHE-UHFFFAOYSA-N -1 3 394.656 3.694 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000078510936 858074203 /nfs/dbraw/zinc/07/42/03/858074203.db2.gz KRCHIGIUPCLJFH-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)c2)n1 ZINC000067831508 858074518 /nfs/dbraw/zinc/07/45/18/858074518.db2.gz PSTFDLHDKFYNFV-GFCCVEGCSA-N -1 3 399.397 3.684 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCCOC(C)C ZINC000761064717 858180636 /nfs/dbraw/zinc/18/06/36/858180636.db2.gz UQNRDNVUBXTWBG-UHFFFAOYSA-N -1 3 395.452 3.517 20 0 GHADHM Cc1cccc(Oc2ccccc2CNC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000521649965 858204613 /nfs/dbraw/zinc/20/46/13/858204613.db2.gz VBZRIYISJVLCND-UHFFFAOYSA-N -1 3 390.439 3.539 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(F)cc1F ZINC000521691825 858235544 /nfs/dbraw/zinc/23/55/44/858235544.db2.gz XWBLYFQPDIUENS-JSGCOSHPSA-N -1 3 388.233 3.562 20 0 GHADHM O=S(=O)([N-]CC1CCC1)c1csc(-c2cccc(Br)c2)n1 ZINC000521691766 858235602 /nfs/dbraw/zinc/23/56/02/858235602.db2.gz RCDOWBXBZNWJGY-UHFFFAOYSA-N -1 3 387.324 3.651 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000543090018 858279468 /nfs/dbraw/zinc/27/94/68/858279468.db2.gz UHENLMJVLITHND-UHFFFAOYSA-N -1 3 395.463 3.580 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000543090018 858279476 /nfs/dbraw/zinc/27/94/76/858279476.db2.gz UHENLMJVLITHND-UHFFFAOYSA-N -1 3 395.463 3.580 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)n1 ZINC000508411362 858282340 /nfs/dbraw/zinc/28/23/40/858282340.db2.gz JSRZRTRIHCNTSJ-UHFFFAOYSA-N -1 3 388.471 3.988 20 0 GHADHM CC[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Br)cc1 ZINC000761079687 858292538 /nfs/dbraw/zinc/29/25/38/858292538.db2.gz IHRHUFBZADHEGF-HNNXBMFYSA-N -1 3 379.254 3.799 20 0 GHADHM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000574820885 858330774 /nfs/dbraw/zinc/33/07/74/858330774.db2.gz TWHKYAYPYTVTPB-UHFFFAOYSA-N -1 3 378.394 3.759 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000443083593 858344173 /nfs/dbraw/zinc/34/41/73/858344173.db2.gz DICCBTCTIDUTJN-KRWDZBQOSA-N -1 3 397.855 3.695 20 0 GHADHM CCOc1cc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cc(Br)c1[O-] ZINC000443100091 858378454 /nfs/dbraw/zinc/37/84/54/858378454.db2.gz WHNHLHJBUHEDLZ-QWRGUYRKSA-N -1 3 396.285 3.976 20 0 GHADHM O=S(=O)([N-]Cc1ccc(O)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443153036 858426383 /nfs/dbraw/zinc/42/63/83/858426383.db2.gz MVIDXHOITFTTPT-UHFFFAOYSA-N -1 3 380.878 3.648 20 0 GHADHM O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc([O-])c2ccccc2c1 ZINC000574965084 858475969 /nfs/dbraw/zinc/47/59/69/858475969.db2.gz FYWTWDQJIPYHSP-UHFFFAOYSA-N -1 3 379.441 3.715 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)nn1[C@@H](C)C1CC1 ZINC000543118464 858480360 /nfs/dbraw/zinc/48/03/60/858480360.db2.gz USRQXWBFDVCGFF-ZDUSSCGKSA-N -1 3 392.463 3.699 20 0 GHADHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574952886 858494804 /nfs/dbraw/zinc/49/48/04/858494804.db2.gz WDUJMDHUISWNLO-MGNBDDOMSA-N -1 3 399.244 3.543 20 0 GHADHM Cc1cnc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000575168077 858613773 /nfs/dbraw/zinc/61/37/73/858613773.db2.gz RZOGIDLZESFLBZ-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1C ZINC000071891015 858757755 /nfs/dbraw/zinc/75/77/55/858757755.db2.gz NMZRDJYHDOYLOK-UHFFFAOYSA-N -1 3 375.490 3.700 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000183636850 858786269 /nfs/dbraw/zinc/78/62/69/858786269.db2.gz JCFSVQBAUIZFQM-HHHXNRCGSA-N -1 3 382.489 3.792 20 0 GHADHM CCc1cc2c(CN(Cc3ccco3)C[C@H]3CCCO3)cc(=O)oc2cc1[O-] ZINC000060039274 858843318 /nfs/dbraw/zinc/84/33/18/858843318.db2.gz YCPFGYNWYRRGTI-GOSISDBHSA-N -1 3 383.444 3.835 20 0 GHADHM COc1cc(C(=O)N(C)Cc2ccc(F)cc2Br)cc(OC)c1[O-] ZINC000482768083 858848280 /nfs/dbraw/zinc/84/82/80/858848280.db2.gz HGDZWIUCNJTSCV-UHFFFAOYSA-N -1 3 398.228 3.583 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H](O)Cc2ccccc2)c1Cl ZINC000443513283 858860572 /nfs/dbraw/zinc/86/05/72/858860572.db2.gz VKKIMCFQMJLIJM-DOMZBBRYSA-N -1 3 388.316 3.572 20 0 GHADHM COc1cc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000482798456 858862072 /nfs/dbraw/zinc/86/20/72/858862072.db2.gz QUHAVNRFXOFWNY-UHFFFAOYSA-N -1 3 395.253 3.802 20 0 GHADHM C[C@H](NCc1nnn(-c2ccccc2)c1C1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901877244 858866719 /nfs/dbraw/zinc/86/67/19/858866719.db2.gz VVLKNQYAAVTEDK-OXJNMPFZSA-N -1 3 390.487 3.566 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000058213596 881353699 /nfs/dbraw/zinc/35/36/99/881353699.db2.gz FEKYPKFDNYILKO-UHFFFAOYSA-N -1 3 378.413 3.701 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2ccccc2C)cc1OC ZINC000116177862 858879742 /nfs/dbraw/zinc/87/97/42/858879742.db2.gz SMUYKZKVTYWBSI-HNNXBMFYSA-N -1 3 390.505 3.898 20 0 GHADHM COC(=O)c1coc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC000185409550 859080732 /nfs/dbraw/zinc/08/07/32/859080732.db2.gz LVEXVDQBSNFEKE-UHFFFAOYSA-N -1 3 378.287 3.575 20 0 GHADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000909513876 859085357 /nfs/dbraw/zinc/08/53/57/859085357.db2.gz VSVAEUOUXAUMPU-UHFFFAOYSA-N -1 3 395.503 3.543 20 0 GHADHM CCc1ccc(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000068578354 859102338 /nfs/dbraw/zinc/10/23/38/859102338.db2.gz XPPDWMQBVXRHNN-UHFFFAOYSA-N -1 3 377.466 3.663 20 0 GHADHM CCCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000193261296 859149619 /nfs/dbraw/zinc/14/96/19/859149619.db2.gz LZYQRQBXIDGDGZ-UHFFFAOYSA-N -1 3 380.466 3.506 20 0 GHADHM COc1ccc2c(c1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000193547043 859172995 /nfs/dbraw/zinc/17/29/95/859172995.db2.gz CATWUHVAQASGDN-UHFFFAOYSA-N -1 3 393.468 3.812 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000483195708 859206569 /nfs/dbraw/zinc/20/65/69/859206569.db2.gz IQPAJYBUTRVNGQ-UHFFFAOYSA-N -1 3 381.402 3.523 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c2n[nH]cc21 ZINC000483349443 859303838 /nfs/dbraw/zinc/30/38/38/859303838.db2.gz NPLMEWBFLUVXKL-UHFFFAOYSA-N -1 3 375.226 3.661 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(C(F)(F)F)ccc1Br ZINC000483358642 859310121 /nfs/dbraw/zinc/31/01/21/859310121.db2.gz VCFXYLLVOQAQTH-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCCN2c2ccccc2)[nH][n-]1 ZINC000429425582 859339114 /nfs/dbraw/zinc/33/91/14/859339114.db2.gz LKZPWVQFMNMWEY-GOSISDBHSA-N -1 3 396.878 3.768 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1Cl ZINC000069099165 859340823 /nfs/dbraw/zinc/34/08/23/859340823.db2.gz DRSCKMHJAXKPOP-OAHLLOKOSA-N -1 3 391.295 3.714 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000923472139 859354744 /nfs/dbraw/zinc/35/47/44/859354744.db2.gz VCOPGXNURDQZPY-QFIPXVFZSA-N -1 3 387.524 3.582 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000117298983 859385397 /nfs/dbraw/zinc/38/53/97/859385397.db2.gz LRRHACSJKZGZJQ-MRXNPFEDSA-N -1 3 377.282 3.941 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000509433818 859435705 /nfs/dbraw/zinc/43/57/05/859435705.db2.gz RCFHGPSPHNXBFD-XJKSGUPXSA-N -1 3 381.398 3.909 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)c2c(C)noc2C)s1 ZINC000443718093 859512847 /nfs/dbraw/zinc/51/28/47/859512847.db2.gz LMLHTECFBCUVKN-SSDOTTSWSA-N -1 3 393.328 3.506 20 0 GHADHM CCSc1cc(Cl)ccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000764620603 859530124 /nfs/dbraw/zinc/53/01/24/859530124.db2.gz OXYGSFYGGNTLAA-UHFFFAOYSA-N -1 3 383.878 3.627 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cccc(-c2nnco2)c1 ZINC000194643255 859533744 /nfs/dbraw/zinc/53/37/44/859533744.db2.gz CSJWLYRYUJGWLZ-UHFFFAOYSA-N -1 3 384.244 3.985 20 0 GHADHM CC[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000739256910 859567415 /nfs/dbraw/zinc/56/74/15/859567415.db2.gz CDFBKNWCNMEPCP-LJQANCHMSA-N -1 3 382.464 3.735 20 0 GHADHM Cc1ccc(NC(=O)[C@H](NCC2CCN(C(=O)[O-])CC2)c2ccccc2)cc1 ZINC000740132583 859576521 /nfs/dbraw/zinc/57/65/21/859576521.db2.gz CLBDCUUKLPZLRS-HXUWFJFHSA-N -1 3 381.476 3.654 20 0 GHADHM CC(C)Sc1ccccc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507118 859634605 /nfs/dbraw/zinc/63/46/05/859634605.db2.gz JGPQPEFKQJRGOV-ZIAGYGMSSA-N -1 3 387.505 3.681 20 0 GHADHM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000466474044 859667692 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860284499 /nfs/dbraw/zinc/28/44/99/860284499.db2.gz WITNIOKXPSANPK-UHFFFAOYSA-N -1 3 393.468 3.973 20 0 GHADHM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000728015896 860353222 /nfs/dbraw/zinc/35/32/22/860353222.db2.gz RZMDRKYIISJGRE-ZHACJKMWSA-N -1 3 389.864 3.952 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000474574587 860370261 /nfs/dbraw/zinc/37/02/61/860370261.db2.gz JMIPLWJZOFPZQZ-MLGOLLRUSA-N -1 3 387.332 3.963 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436590563 860376074 /nfs/dbraw/zinc/37/60/74/860376074.db2.gz SZNJMMOMUJZKPJ-UHFFFAOYSA-N -1 3 382.416 3.892 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(OCCC)c1 ZINC000428928287 860393803 /nfs/dbraw/zinc/39/38/03/860393803.db2.gz YDTSLKHTFWRRPI-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(OCCC)c1 ZINC000428928287 860393809 /nfs/dbraw/zinc/39/38/09/860393809.db2.gz YDTSLKHTFWRRPI-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643047 860549548 /nfs/dbraw/zinc/54/95/48/860549548.db2.gz VGJJENWNVWSAMM-OKZBNKHCSA-N -1 3 378.900 3.506 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000474641978 860559237 /nfs/dbraw/zinc/55/92/37/860559237.db2.gz SLKVHXLPEFHCBO-UHFFFAOYSA-N -1 3 388.474 3.500 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccn2c1 ZINC000155920422 860634992 /nfs/dbraw/zinc/63/49/92/860634992.db2.gz OODHNKMIFNCSIS-UHFFFAOYSA-N -1 3 397.378 3.582 20 0 GHADHM O=C(NCc1cccc(OCc2ccccn2)c1)NCc1ccc([O-])c(F)c1 ZINC000156071863 860673958 /nfs/dbraw/zinc/67/39/58/860673958.db2.gz IGOKMPNRXFMIDB-UHFFFAOYSA-N -1 3 381.407 3.505 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)c(F)cc1Cl ZINC000509067780 860773745 /nfs/dbraw/zinc/77/37/45/860773745.db2.gz LQDAEWAAXFUTOQ-UHFFFAOYSA-N -1 3 386.583 3.703 20 0 GHADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1Br ZINC000186616440 860778375 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O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000532261831 881617784 /nfs/dbraw/zinc/61/77/84/881617784.db2.gz MFLBUNHATXQNCG-AWEZNQCLSA-N -1 3 398.937 3.844 20 0 GHADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000177200398 861172491 /nfs/dbraw/zinc/17/24/91/861172491.db2.gz DJFGOEUVIZGZSC-SFHVURJKSA-N -1 3 398.434 3.706 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cnc(OCc2ccccc2)cn1 ZINC000428321551 863075944 /nfs/dbraw/zinc/07/59/44/863075944.db2.gz ZSRJKYKAQOKUGW-UHFFFAOYSA-N -1 3 389.440 3.826 20 0 GHADHM Cc1cccc2c1CCN(C(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)C2 ZINC000172001728 863110789 /nfs/dbraw/zinc/11/07/89/863110789.db2.gz PTGTZSIJGATVNI-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM CSc1nc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)n[n-]1 ZINC000522722579 863143325 /nfs/dbraw/zinc/14/33/25/863143325.db2.gz UYAKWTTXLJLODP-UHFFFAOYSA-N -1 3 396.501 3.948 20 0 GHADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482467428 863177319 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CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3[O-])cc21 ZINC000532277449 881662756 /nfs/dbraw/zinc/66/27/56/881662756.db2.gz ORPITCJRTXOADN-UHFFFAOYSA-N -1 3 375.222 3.637 20 0 GHADHM O=C(c1sccc1-c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029687031 863541224 /nfs/dbraw/zinc/54/12/24/863541224.db2.gz CSVMMKUKIQHBTR-UHFFFAOYSA-N -1 3 392.480 3.719 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](C(F)(F)F)C1 ZINC000606931986 863918323 /nfs/dbraw/zinc/91/83/23/863918323.db2.gz HDPSWDNITZHNPD-SFHVURJKSA-N -1 3 379.378 3.581 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000763652849 864104936 /nfs/dbraw/zinc/10/49/36/864104936.db2.gz XGQBEXJYARZQQI-SNVBAGLBSA-N -1 3 378.366 3.789 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C(C)(C)C)C[C@@H]3C)nc(=O)c2c1C ZINC000554310878 864111892 /nfs/dbraw/zinc/11/18/92/864111892.db2.gz JVQZEHNNHBPEIL-AAEUAGOBSA-N -1 3 391.537 3.726 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCc2ccsc2C1 ZINC000444321151 864202661 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ZINC000736495932 865221290 /nfs/dbraw/zinc/22/12/90/865221290.db2.gz WFGCAYBAECRNHG-UHFFFAOYSA-N -1 3 379.449 3.557 20 0 GHADHM CCCc1nc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)no1 ZINC000736495932 865221302 /nfs/dbraw/zinc/22/13/02/865221302.db2.gz WFGCAYBAECRNHG-UHFFFAOYSA-N -1 3 379.449 3.557 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736686838 865265304 /nfs/dbraw/zinc/26/53/04/865265304.db2.gz LJHABRUKSLPJIY-MRXNPFEDSA-N -1 3 393.491 3.602 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736686838 865265316 /nfs/dbraw/zinc/26/53/16/865265316.db2.gz LJHABRUKSLPJIY-MRXNPFEDSA-N -1 3 393.491 3.602 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)COCc3ccccc3)nc2)n1 ZINC000171945097 865423043 /nfs/dbraw/zinc/42/30/43/865423043.db2.gz CVRLNCLNMVDXAQ-INIZCTEOSA-N -1 3 378.476 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ccccc4OC)C3)nc2)n1 ZINC000301611270 865454984 /nfs/dbraw/zinc/45/49/84/865454984.db2.gz RDPXQOVAPULFIG-QGZVFWFLSA-N 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GHADHM COc1cc(OC)c2ncnc(NCc3ccc([O-])c(Br)c3)c2c1 ZINC000302850896 865955047 /nfs/dbraw/zinc/95/50/47/865955047.db2.gz IUPWCXPHQYOLKQ-UHFFFAOYSA-N -1 3 390.237 3.727 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C3CC3)ccc2C)cc1 ZINC000175198010 865981496 /nfs/dbraw/zinc/98/14/96/865981496.db2.gz JWHAJSUNFJVEIX-AWEZNQCLSA-N -1 3 388.489 3.789 20 0 GHADHM COC(=O)c1sc2[n-]c(CSC3=Nc4ccccc4C3)nc(=O)c2c1C ZINC000740767252 865999077 /nfs/dbraw/zinc/99/90/77/865999077.db2.gz QXGJSSMSWMQCRT-UHFFFAOYSA-N -1 3 385.470 3.599 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3ccc(OC)cn3)nc2)n1 ZINC000897293694 866008083 /nfs/dbraw/zinc/00/80/83/866008083.db2.gz CGFIPRWWFFRBSW-SFHVURJKSA-N -1 3 377.448 3.552 20 0 GHADHM CCOc1ccc(F)c([N-]C(=O)c2sc(-c3ncccn3)nc2C)c1F ZINC000534036471 866014133 /nfs/dbraw/zinc/01/41/33/866014133.db2.gz LJCDNJXBRMTFOH-UHFFFAOYSA-N -1 3 376.388 3.838 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2CCC(C)(C)CC2)cc1OC ZINC000534051535 866049551 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3 391.349 3.625 20 0 GHADHM O=C(NCC1=CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000620008419 866267936 /nfs/dbraw/zinc/26/79/36/866267936.db2.gz MDOLLTUSWYBMFV-UHFFFAOYSA-N -1 3 381.657 3.784 20 0 GHADHM CC(C)[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000620043073 866313033 /nfs/dbraw/zinc/31/30/33/866313033.db2.gz WBJGPSFORZPUJX-IRLDBZIGSA-N -1 3 380.488 3.804 20 0 GHADHM CC1(C)C[C@@]1(C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000620076317 866349576 /nfs/dbraw/zinc/34/95/76/866349576.db2.gz NXSKSUUEEHKROR-MRXNPFEDSA-N -1 3 383.673 3.862 20 0 GHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ncc(-c2ccccc2)o1 ZINC000741324696 866405257 /nfs/dbraw/zinc/40/52/57/866405257.db2.gz UBTMCMVCBHWDHZ-ZDUSSCGKSA-N -1 3 386.429 3.631 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000534265691 866434483 /nfs/dbraw/zinc/43/44/83/866434483.db2.gz DEYRWGHHPAOQAO-UHFFFAOYSA-N -1 3 395.503 3.971 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnn(C)c3C(F)(F)F)s2)c(C)c1 ZINC000620355160 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O=c1[n-]nc(SCc2ccn(-c3ccccc3F)n2)n1CCc1ccccc1 ZINC000445562809 868631158 /nfs/dbraw/zinc/63/11/58/868631158.db2.gz GMKFTRVGJLTJMQ-UHFFFAOYSA-N -1 3 395.463 3.844 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OC2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000744212647 868667171 /nfs/dbraw/zinc/66/71/71/868667171.db2.gz IISXKGPYWCGAPN-HUUCEWRRSA-N -1 3 383.510 3.583 20 0 GHADHM COc1ccc(C=CC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1OC ZINC000744217856 868672465 /nfs/dbraw/zinc/67/24/65/868672465.db2.gz RSLITLMMEIRPCT-NTMALXAHSA-N -1 3 392.411 3.794 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)cs1 ZINC000479907024 868709438 /nfs/dbraw/zinc/70/94/38/868709438.db2.gz AGAGUEWIFSXYKJ-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(F)(F)F ZINC000744335842 868764213 /nfs/dbraw/zinc/76/42/13/868764213.db2.gz AZFFIUNDFOECMQ-SNVBAGLBSA-N -1 3 391.342 3.734 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@@H]2CCC[C@H](OC)C2)[nH][n-]1 ZINC000479944911 868766676 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CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000524494759 869153211 /nfs/dbraw/zinc/15/32/11/869153211.db2.gz PSIOYFJIIKTNGZ-CYBMUJFWSA-N -1 3 392.974 3.545 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1ccncc1 ZINC000121874090 882277367 /nfs/dbraw/zinc/27/73/67/882277367.db2.gz BXMOHYDDPMZWQG-AWEZNQCLSA-N -1 3 390.486 3.513 20 0 GHADHM O=C(NC[C@H](O)c1c(F)cccc1Cl)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857469795 882282572 /nfs/dbraw/zinc/28/25/72/882282572.db2.gz YJEZMZSQSZBEFH-ZDUSSCGKSA-N -1 3 377.721 3.667 20 0 GHADHM CC(C)n1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nnc1N(C)C ZINC000504414625 869332333 /nfs/dbraw/zinc/33/23/33/869332333.db2.gz DAXYZWADTSVKSU-UHFFFAOYSA-N -1 3 384.465 3.612 20 0 GHADHM O=S(=O)([N-]CCc1csc2ccccc12)c1ccc(Br)cn1 ZINC000462515776 869591571 /nfs/dbraw/zinc/59/15/71/869591571.db2.gz VCZFRQNMLIBSFS-UHFFFAOYSA-N -1 3 397.319 3.580 20 0 GHADHM Cc1ncc(CNC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)c(=O)[n-]1 ZINC000446267742 869618703 /nfs/dbraw/zinc/61/87/03/869618703.db2.gz VNTHVVHBJAFPMC-UHFFFAOYSA-N -1 3 395.290 3.719 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)n[n-]2)o1 ZINC000539722060 869671615 /nfs/dbraw/zinc/67/16/15/869671615.db2.gz UWNDQTCMIVZFID-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000745650888 869719828 /nfs/dbraw/zinc/71/98/28/869719828.db2.gz NEPLLHSQXMXNOO-UHFFFAOYSA-N -1 3 398.198 3.917 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(F)c(Br)c2)cc1[O-] ZINC000745654252 869722342 /nfs/dbraw/zinc/72/23/42/869722342.db2.gz VJFZFHFJENDTIF-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524969620 869853902 /nfs/dbraw/zinc/85/39/02/869853902.db2.gz ICINGSSMWBHLET-UZUQRXQVSA-N -1 3 390.483 3.565 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CCC[C@H]1C ZINC000462672151 869901526 /nfs/dbraw/zinc/90/15/26/869901526.db2.gz CNALTUISVBYWFU-YJYMSZOUSA-N -1 3 391.464 3.604 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992434 869932147 /nfs/dbraw/zinc/93/21/47/869932147.db2.gz ZXEJYJKTJMBFSC-CYBMUJFWSA-N -1 3 398.463 3.523 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccccc1Cl ZINC000462706674 869935262 /nfs/dbraw/zinc/93/52/62/869935262.db2.gz TZIMKAOCTIUAGL-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000462719399 869969367 /nfs/dbraw/zinc/96/93/67/869969367.db2.gz MKZOOGXPLLCDAR-GFCCVEGCSA-N -1 3 391.386 3.899 20 0 GHADHM Cc1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000462795139 870094937 /nfs/dbraw/zinc/09/49/37/870094937.db2.gz NXKMBUAFGPDOIL-UHFFFAOYSA-N -1 3 381.501 3.823 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000525161380 870095086 /nfs/dbraw/zinc/09/50/86/870095086.db2.gz XHRYGMNQBNPOIR-UHFFFAOYSA-N -1 3 392.249 3.965 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808957 882375217 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399.447 3.514 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])N[C@@H]1CCc2ccccc21 ZINC001192994237 870808499 /nfs/dbraw/zinc/80/84/99/870808499.db2.gz PTEXEVBGOJBNLY-CYBMUJFWSA-N -1 3 394.212 3.806 20 0 GHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Br)c2)c1C ZINC000446971120 870826252 /nfs/dbraw/zinc/82/62/52/870826252.db2.gz JEYOCNQEQCPLRZ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)cc1F ZINC000122161735 882454337 /nfs/dbraw/zinc/45/43/37/882454337.db2.gz VREDPLWMDBNBSH-INIZCTEOSA-N -1 3 380.441 3.798 20 0 GHADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000538940712 870924643 /nfs/dbraw/zinc/92/46/43/870924643.db2.gz QNOQJMSACINUCQ-UHFFFAOYSA-N -1 3 388.489 3.797 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccccc1NCCC1=CCCCC1)C2 ZINC001168938252 871021546 /nfs/dbraw/zinc/02/15/46/871021546.db2.gz DEXAHFVVIOQOQM-UHFFFAOYSA-N -1 3 378.476 3.949 20 0 GHADHM C[C@H]1Cc2ccccc2CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525605586 871103375 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Cc1cc(F)c(Br)cc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000191525974 882503329 /nfs/dbraw/zinc/50/33/29/882503329.db2.gz DGXFLOPXCCRWTR-UHFFFAOYSA-N -1 3 396.260 3.838 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2F)CC1 ZINC001193928725 871373992 /nfs/dbraw/zinc/37/39/92/871373992.db2.gz DTYHQQDKEPPRQE-UHFFFAOYSA-N -1 3 398.356 3.527 20 0 GHADHM O=S(=O)([N-][C@H](Cn1ccnc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC001194066093 871471833 /nfs/dbraw/zinc/47/18/33/871471833.db2.gz CNKJGFUUACJNTI-OAHLLOKOSA-N -1 3 396.299 3.910 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194145060 871508464 /nfs/dbraw/zinc/50/84/64/871508464.db2.gz AFQOXKOCQLLGHP-UHFFFAOYSA-N -1 3 395.893 3.976 20 0 GHADHM CCOC(=O)c1cnc2n1CCN(Cc1c(Cl)cc([O-])cc1Cl)[C@H]2C ZINC001142118713 871528149 /nfs/dbraw/zinc/52/81/49/871528149.db2.gz XLVUKWHZUUPYJK-JTQLQIEISA-N -1 3 384.263 3.649 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)sc1Br ZINC000149956879 871529484 /nfs/dbraw/zinc/52/94/84/871529484.db2.gz IWYRHGUPSPHVJX-SNVBAGLBSA-N -1 3 376.297 3.768 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc2c(Cl)cccc2c1 ZINC001194243899 871584145 /nfs/dbraw/zinc/58/41/45/871584145.db2.gz WSQGDQVLRMTAJJ-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000122379162 882535393 /nfs/dbraw/zinc/53/53/93/882535393.db2.gz RTXMVHYXOBFGHU-JOCHJYFZSA-N -1 3 390.439 3.879 20 0 GHADHM COC(=O)c1nc(Br)sc1[N-]C(=O)c1ccc(C(F)(F)F)o1 ZINC001194402641 871676068 /nfs/dbraw/zinc/67/60/68/871676068.db2.gz ILUHWAPLJPILOH-UHFFFAOYSA-N -1 3 399.144 3.556 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3c(C)ccnc3Br)cc2s1 ZINC000794024741 882541424 /nfs/dbraw/zinc/54/14/24/882541424.db2.gz BLTMEKTWWCVODZ-UHFFFAOYSA-N -1 3 398.307 3.871 20 0 GHADHM CSc1nnc([N-]C(=O)c2cccnc2OCc2ccccc2)c(SC)n1 ZINC001194603833 871830720 /nfs/dbraw/zinc/83/07/20/871830720.db2.gz HMUVWLLJCNDLPO-UHFFFAOYSA-N -1 3 399.501 3.542 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)c(F)c1 ZINC001194633999 871840313 /nfs/dbraw/zinc/84/03/13/871840313.db2.gz JXFLFHPNPHUJCR-INIZCTEOSA-N -1 3 379.453 3.801 20 0 GHADHM COC1(c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)CCC(c2ccccc2)CC1 ZINC000552043754 871924255 /nfs/dbraw/zinc/92/42/55/871924255.db2.gz HFQLTAVIACKPDS-UHFFFAOYSA-N -1 3 394.475 3.972 20 0 GHADHM Cc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c([O-])c1 ZINC000618769651 871931608 /nfs/dbraw/zinc/93/16/08/871931608.db2.gz ABKLCRWOYZYFKW-MRXNPFEDSA-N -1 3 376.250 3.677 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000775615622 871970021 /nfs/dbraw/zinc/97/00/21/871970021.db2.gz ZTMIUWRYCUAGLS-INIZCTEOSA-N -1 3 390.827 3.567 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000775615622 871970031 /nfs/dbraw/zinc/97/00/31/871970031.db2.gz ZTMIUWRYCUAGLS-INIZCTEOSA-N -1 3 390.827 3.567 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(=O)sc3c2)c(C)c1C ZINC001194863927 871994949 /nfs/dbraw/zinc/99/49/49/871994949.db2.gz JFDZTHKAICAMIE-UHFFFAOYSA-N -1 3 378.475 3.737 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)c(C)c1C ZINC001194863220 871995007 /nfs/dbraw/zinc/99/50/07/871995007.db2.gz DUJWLTSCUYISNS-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM CC(C)[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(F)(F)F ZINC000526066576 872036170 /nfs/dbraw/zinc/03/61/70/872036170.db2.gz ZPDZZQOXQILHFM-ZDUSSCGKSA-N -1 3 391.187 3.607 20 0 GHADHM CCNC(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C ZINC000447655164 872041356 /nfs/dbraw/zinc/04/13/56/872041356.db2.gz YHAYBVVPVBACFB-UHFFFAOYSA-N -1 3 383.448 3.808 20 0 GHADHM Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000463574427 872054757 /nfs/dbraw/zinc/05/47/57/872054757.db2.gz JJCMEVSJEBQHNW-UHFFFAOYSA-N -1 3 394.378 3.781 20 0 GHADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[O-] ZINC000552130547 872067311 /nfs/dbraw/zinc/06/73/11/872067311.db2.gz SXSSUNOWKXHTML-UHFFFAOYSA-N -1 3 388.272 3.892 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1F ZINC001194997019 872095579 /nfs/dbraw/zinc/09/55/79/872095579.db2.gz UEGNNVOOMYGIPD-IBGZPJMESA-N -1 3 390.480 3.859 20 0 GHADHM O=S(=O)([N-][C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1ccco1 ZINC001195042970 872123618 /nfs/dbraw/zinc/12/36/18/872123618.db2.gz RSXNHUFVODEDPZ-ZDUSSCGKSA-N -1 3 398.278 3.767 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)sc1Br ZINC001195173799 872233874 /nfs/dbraw/zinc/23/38/74/872233874.db2.gz FUZANKHKPKIDHQ-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM CC1([C@@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)OCCO1 ZINC000182414932 872335131 /nfs/dbraw/zinc/33/51/31/872335131.db2.gz RGOIXENILMIJAD-LJQANCHMSA-N -1 3 381.472 3.598 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC001195401363 872362660 /nfs/dbraw/zinc/36/26/60/872362660.db2.gz SSXRBMIAQGPKRL-UHFFFAOYSA-N -1 3 380.231 3.963 20 0 GHADHM COc1ccc(C(C)(C)C)cc1C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001195449852 872395451 /nfs/dbraw/zinc/39/54/51/872395451.db2.gz HQPQWNSTSFTUKM-UHFFFAOYSA-N -1 3 392.459 3.789 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2cncc([O-])c2)c(Br)c1 ZINC001195539124 872474906 /nfs/dbraw/zinc/47/49/06/872474906.db2.gz QNKYDWJYEJCAHA-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2noc(-c3ccccc3)n2)cc1[O-] ZINC000783939583 872590710 /nfs/dbraw/zinc/59/07/10/872590710.db2.gz PMHPVGGRISKQJP-NSHDSACASA-N -1 3 383.360 3.539 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CC=C(c2ccc(Br)cc2)CC1 ZINC001195793542 872667220 /nfs/dbraw/zinc/66/72/20/872667220.db2.gz FYFDRTUJFHHBNN-UHFFFAOYSA-N -1 3 394.290 3.633 20 0 GHADHM O=S(=O)([N-]c1ccc2ncc(Br)cc2c1)c1ccc(O)cc1 ZINC001195794904 872667427 /nfs/dbraw/zinc/66/74/27/872667427.db2.gz NVUMMDFJWHQDAF-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(F)(F)F ZINC000767608605 872668356 /nfs/dbraw/zinc/66/83/56/872668356.db2.gz YMFSPGIJPLSITM-AMIZOPFISA-N -1 3 381.807 3.539 20 0 GHADHM O=S(=O)(N[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc([O-])cc1 ZINC001195818990 872692429 /nfs/dbraw/zinc/69/24/29/872692429.db2.gz XYUYSEICENFUKP-CYBMUJFWSA-N -1 3 399.312 3.993 20 0 GHADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)c1cc(F)cc(Br)c1 ZINC000527114820 872695199 /nfs/dbraw/zinc/69/51/99/872695199.db2.gz KLOBCHVBKUGJKF-ZDUSSCGKSA-N -1 3 377.217 3.741 20 0 GHADHM O=S(=O)(N[C@@H]1CCCc2cc(Br)ccc21)c1ccc([O-])cc1 ZINC001195825700 872697237 /nfs/dbraw/zinc/69/72/37/872697237.db2.gz XKCQRWPFWAKDEH-MRXNPFEDSA-N -1 3 382.279 3.511 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)[nH][n-]1 ZINC000541025609 872746010 /nfs/dbraw/zinc/74/60/10/872746010.db2.gz ZFPXECPPPDGJGK-ACJLOTCBSA-N -1 3 391.899 3.940 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)sc1Cl ZINC000191874183 882648864 /nfs/dbraw/zinc/64/88/64/882648864.db2.gz ZXXOVUNNQQCNQW-UHFFFAOYSA-N -1 3 398.937 3.927 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCN(C4CCCCC4)C3=O)nc2)n1 ZINC000527200311 872799026 /nfs/dbraw/zinc/79/90/26/872799026.db2.gz FFGCDPRNFWXQEB-GOSISDBHSA-N -1 3 395.507 3.542 20 0 GHADHM Cc1ccc(C(=O)N2CC[C@@H]2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000619650768 872846288 /nfs/dbraw/zinc/84/62/88/872846288.db2.gz STNYAMFPYVAZGB-LBPRGKRZSA-N -1 3 396.871 3.823 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc2ccc(Cl)nc2cc1F ZINC000767855167 872894576 /nfs/dbraw/zinc/89/45/76/872894576.db2.gz UOGSWNBEIPANSG-JTQLQIEISA-N -1 3 378.803 3.884 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1cccc(F)c1)c1ccc(Br)cn1 ZINC001196190883 872912844 /nfs/dbraw/zinc/91/28/44/872912844.db2.gz GURZZSVDVHYSPQ-HNNXBMFYSA-N -1 3 399.285 3.803 20 0 GHADHM O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767941229 872974045 /nfs/dbraw/zinc/97/40/45/872974045.db2.gz KXRJXECRVSNEBH-UHFFFAOYSA-N -1 3 399.466 3.988 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)C1 ZINC000448158875 872977824 /nfs/dbraw/zinc/97/78/24/872977824.db2.gz WATMCMOBQJFKIB-PXNSSMCTSA-N -1 3 387.487 3.523 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000775708980 873037619 /nfs/dbraw/zinc/03/76/19/873037619.db2.gz OFHBNBXCFKYWBR-NSHDSACASA-N -1 3 394.300 3.797 20 0 GHADHM CCOc1ccc(C)cc1NC(=O)c1cc([O-])cc(I)c1 ZINC001196417867 873103094 /nfs/dbraw/zinc/10/30/94/873103094.db2.gz WRQLLJIHNJKBJO-UHFFFAOYSA-N -1 3 397.212 3.956 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1c(C)onc1-c1ccc(O)cc1 ZINC001196584601 873241555 /nfs/dbraw/zinc/24/15/55/873241555.db2.gz IPBAPOLOHIEZGG-UHFFFAOYSA-N -1 3 397.387 3.650 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000541308140 873332507 /nfs/dbraw/zinc/33/25/07/873332507.db2.gz BGHLQDHCTMQHOI-QWRGUYRKSA-N -1 3 385.835 3.842 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1 ZINC000542618715 882713925 /nfs/dbraw/zinc/71/39/25/882713925.db2.gz NEPOIPVEWKWIQZ-OAHLLOKOSA-N -1 3 385.464 3.982 20 0 GHADHM Cc1ccc(CNC(=O)NCc2cnc(C)[n-]c2=O)c(OCCCC(C)C)c1 ZINC000541336882 873420450 /nfs/dbraw/zinc/42/04/50/873420450.db2.gz FTLDPZLPMJKKBO-UHFFFAOYSA-N -1 3 386.496 3.613 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000102735769 873520408 /nfs/dbraw/zinc/52/04/08/873520408.db2.gz ZFUKIPXPCRLHKP-UHFFFAOYSA-N -1 3 398.525 3.545 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)OC(C)C)cc2)cc1 ZINC000448555717 873567499 /nfs/dbraw/zinc/56/74/99/873567499.db2.gz UQZGBZCXXKIZJG-UHFFFAOYSA-N -1 3 390.505 3.938 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2Br)cnc1Cl ZINC000768887705 873649067 /nfs/dbraw/zinc/64/90/67/873649067.db2.gz RKZPCNGFISVFDV-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000768902713 873661107 /nfs/dbraw/zinc/66/11/07/873661107.db2.gz XVPHGMGIAUJJDI-XZVRFQMRSA-N -1 3 397.855 3.592 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2ccc(Br)c(F)c2F)c1 ZINC001197382465 873753662 /nfs/dbraw/zinc/75/36/62/873753662.db2.gz DRKFBCGXZYEDQI-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000769105504 873811268 /nfs/dbraw/zinc/81/12/68/873811268.db2.gz KOXSLTSWWONHEQ-UHFFFAOYSA-N -1 3 387.432 3.502 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197538288 873866361 /nfs/dbraw/zinc/86/63/61/873866361.db2.gz ROEUDWNJYDMRAD-UHFFFAOYSA-N -1 3 392.235 4.000 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448747868 873884234 /nfs/dbraw/zinc/88/42/34/873884234.db2.gz KMRGUHWZDPCCCA-UHFFFAOYSA-N -1 3 384.451 3.893 20 0 GHADHM O=C1c2cccc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)c2CN1C1CC1 ZINC001197685895 873979847 /nfs/dbraw/zinc/97/98/47/873979847.db2.gz YQFCXUKFPNNWLL-UHFFFAOYSA-N -1 3 394.855 3.539 20 0 GHADHM O=C(Nc1nnc(-c2ccco2)o1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197699150 873988185 /nfs/dbraw/zinc/98/81/85/873988185.db2.gz CCTAJHZPNBUOGL-UHFFFAOYSA-N -1 3 377.356 3.867 20 0 GHADHM O=C(Nc1cc(Cl)ncc1CO)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197705254 873992493 /nfs/dbraw/zinc/99/24/93/873992493.db2.gz FKSCCXQFHAJVMH-UHFFFAOYSA-N -1 3 384.819 3.764 20 0 GHADHM O=C(Nc1nc2n[nH]cc2c(Cl)n1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708291 873993732 /nfs/dbraw/zinc/99/37/32/873993732.db2.gz VDWJVADTIQEJQI-UHFFFAOYSA-N -1 3 395.806 3.543 20 0 GHADHM O=C(Nc1ccnn1-c1ccncc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197707828 873993749 /nfs/dbraw/zinc/99/37/49/873993749.db2.gz RHOJGJOIOCOMEP-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000557819441 874011719 /nfs/dbraw/zinc/01/17/19/874011719.db2.gz AZJNXIDTEZHKNN-ZJUUUORDSA-N -1 3 387.420 3.677 20 0 GHADHM CN1Cc2cc([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)ccc2C1=O ZINC001197749357 874025412 /nfs/dbraw/zinc/02/54/12/874025412.db2.gz HDULBDPDEQUDSJ-UHFFFAOYSA-N -1 3 385.272 3.521 20 0 GHADHM CN1CCc2c([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)cccc2C1=O ZINC001197754216 874029677 /nfs/dbraw/zinc/02/96/77/874029677.db2.gz KOIQUFNSWUEULE-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134217218 882787850 /nfs/dbraw/zinc/78/78/50/882787850.db2.gz XVQDDMRYJGNQTH-QGZVFWFLSA-N -1 3 392.377 3.886 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(OCCCC(F)(F)F)cc1 ZINC001197862263 874101466 /nfs/dbraw/zinc/10/14/66/874101466.db2.gz CHZPVAYSIIAUBA-UHFFFAOYSA-N -1 3 385.342 3.560 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(OCCCC(F)(F)F)cc1 ZINC001197862263 874101468 /nfs/dbraw/zinc/10/14/68/874101468.db2.gz CHZPVAYSIIAUBA-UHFFFAOYSA-N -1 3 385.342 3.560 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000448898682 874165194 /nfs/dbraw/zinc/16/51/94/874165194.db2.gz VVKBDNKGGTVNBD-UHFFFAOYSA-N -1 3 398.413 3.837 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC(F)(F)CC2)c1 ZINC001198037364 874192274 /nfs/dbraw/zinc/19/22/74/874192274.db2.gz SREXORJTGDOFPG-UHFFFAOYSA-N -1 3 384.423 3.912 20 0 GHADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ncc(Br)cc1F ZINC000769670449 874223499 /nfs/dbraw/zinc/22/34/99/874223499.db2.gz CFNXRTMVMAXDRZ-WAYWQWQTSA-N -1 3 375.194 3.535 20 0 GHADHM CN(C)C(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000769693129 874235070 /nfs/dbraw/zinc/23/50/70/874235070.db2.gz XHBJMPPPDUWHCY-UHFFFAOYSA-N -1 3 390.439 3.925 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(F)cc(C(F)(F)F)c2Cl)[n-]1 ZINC001198149142 874247865 /nfs/dbraw/zinc/24/78/65/874247865.db2.gz RFFYXEWUUNZBGC-UHFFFAOYSA-N -1 3 379.697 3.650 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2Cl)c[n-]1 ZINC001198149142 874247876 /nfs/dbraw/zinc/24/78/76/874247876.db2.gz RFFYXEWUUNZBGC-UHFFFAOYSA-N -1 3 379.697 3.650 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3C)cc2C1 ZINC000769866642 874309458 /nfs/dbraw/zinc/30/94/58/874309458.db2.gz ZEQVKTGIXLRDFD-INIZCTEOSA-N -1 3 396.306 3.672 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccncc2OC(F)(F)F)c([O-])c1 ZINC001198254153 874314827 /nfs/dbraw/zinc/31/48/27/874314827.db2.gz NIJOXQFPWKOUQX-UHFFFAOYSA-N -1 3 398.337 3.893 20 0 GHADHM C[C@H](CC[N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000769907377 874334222 /nfs/dbraw/zinc/33/42/22/874334222.db2.gz PSGPYBFTRAGNFW-SNVBAGLBSA-N -1 3 395.834 3.564 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H](C)C[C@@H]3C)c2)c1 ZINC000769910433 874336085 /nfs/dbraw/zinc/33/60/85/874336085.db2.gz LEMOKEQYXLQIQE-KBPBESRZSA-N -1 3 398.459 3.532 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@H](C)C[C@H]3C)c2)c1 ZINC000769910436 874336580 /nfs/dbraw/zinc/33/65/80/874336580.db2.gz LEMOKEQYXLQIQE-ZIAGYGMSSA-N -1 3 398.459 3.532 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C[C@@H]3c2ccccc2)cn1 ZINC001198317118 874349122 /nfs/dbraw/zinc/34/91/22/874349122.db2.gz BSQGFJVYVYZOBX-HXUWFJFHSA-N -1 3 393.512 3.768 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(Cl)nc1C(F)(F)F ZINC001129440037 882819355 /nfs/dbraw/zinc/81/93/55/882819355.db2.gz NNEZTEXOHRDSEO-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccccc3OC(F)F)c2)n1 ZINC000118211709 874436299 /nfs/dbraw/zinc/43/62/99/874436299.db2.gz IZYJHYZWQFOMMW-UHFFFAOYSA-N -1 3 399.397 3.782 20 0 GHADHM CCNc1ncc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000770097758 874457227 /nfs/dbraw/zinc/45/72/27/874457227.db2.gz JMSFQVVCUZQBAG-QMMMGPOBSA-N -1 3 378.479 3.820 20 0 GHADHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000775906849 874673933 /nfs/dbraw/zinc/67/39/33/874673933.db2.gz HKYGHLJFYPPLBF-YVMONPNESA-N -1 3 378.276 3.562 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC(F)(F)F)c2)c(C)c1 ZINC001198942116 874720619 /nfs/dbraw/zinc/72/06/19/874720619.db2.gz WRAIRHACGVLTII-UHFFFAOYSA-N -1 3 379.331 3.842 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCOCC2)c(C)c1 ZINC001198950086 874744801 /nfs/dbraw/zinc/74/48/01/874744801.db2.gz FHOFJFZAFYZMFF-UHFFFAOYSA-N -1 3 395.452 3.501 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1OC ZINC000464918016 874782150 /nfs/dbraw/zinc/78/21/50/874782150.db2.gz JELBUWBCJGSIHR-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775933795 874794430 /nfs/dbraw/zinc/79/44/30/874794430.db2.gz QQPMIRAOMCKCDJ-UHFFFAOYSA-N -1 3 388.851 3.750 20 0 GHADHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CCO1 ZINC000528659199 874847442 /nfs/dbraw/zinc/84/74/42/874847442.db2.gz WFTTUTJGYURFQB-KRWDZBQOSA-N -1 3 376.250 3.677 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cnc(Cl)c(Cl)c1Cl ZINC001199334356 874933134 /nfs/dbraw/zinc/93/31/34/874933134.db2.gz LQMCHEQDRJGWFT-UHFFFAOYSA-N -1 3 393.585 3.925 20 0 GHADHM C[Si](C)(C)c1ccnc(C(=O)[N-]c2nc(F)cc(C(F)(F)F)c2F)c1F ZINC001199729265 875150244 /nfs/dbraw/zinc/15/02/44/875150244.db2.gz PVYASNWSWGDEBA-UHFFFAOYSA-N -1 3 393.363 3.710 20 0 GHADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc(F)c1[O-] ZINC001127253052 875326259 /nfs/dbraw/zinc/32/62/59/875326259.db2.gz LOQFGNRZCSXFOU-KRWDZBQOSA-N -1 3 394.450 3.736 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cccc(Br)c1F ZINC000542316232 875356513 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GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(N)c(Cl)n3)nc(=O)c2c1C ZINC000772059222 875638892 /nfs/dbraw/zinc/63/88/92/875638892.db2.gz MGCYOYBJXHNKTI-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM COc1cc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000746522340 875649703 /nfs/dbraw/zinc/64/97/03/875649703.db2.gz JWPBIUPTQTVWIY-UHFFFAOYSA-N -1 3 399.365 3.522 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CC3)cc2)ccc1F ZINC000772176342 875733494 /nfs/dbraw/zinc/73/34/94/875733494.db2.gz WWPGRNHPUHVZLO-UHFFFAOYSA-N -1 3 376.453 3.642 20 0 GHADHM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC001201540624 875737237 /nfs/dbraw/zinc/73/72/37/875737237.db2.gz RSGUECFZEODFLO-UHFFFAOYSA-N -1 3 397.880 3.943 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)ccc2N1 ZINC001201620371 875795897 /nfs/dbraw/zinc/79/58/97/875795897.db2.gz VOPUNNCXIZGCMG-UHFFFAOYSA-N -1 3 395.440 3.559 20 0 GHADHM C[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccc(C(F)(F)F)cc1 ZINC000785626147 876158049 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COc1ccc(OC)c([C@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000007718430 877365823 /nfs/dbraw/zinc/36/58/23/877365823.db2.gz VCENPQOZFVQZHJ-LJQANCHMSA-N -1 3 381.428 3.853 20 0 GHADHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000530262595 877373507 /nfs/dbraw/zinc/37/35/07/877373507.db2.gz USRZEAHNDANXCK-VIFPVBQESA-N -1 3 397.184 3.829 20 0 GHADHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000530262595 877373526 /nfs/dbraw/zinc/37/35/26/877373526.db2.gz USRZEAHNDANXCK-VIFPVBQESA-N -1 3 397.184 3.829 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000477351669 877500958 /nfs/dbraw/zinc/50/09/58/877500958.db2.gz JSOLSPPVQGJNCI-LLVKDONJSA-N -1 3 395.912 3.975 20 0 GHADHM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC ZINC000615280963 877586478 /nfs/dbraw/zinc/58/64/78/877586478.db2.gz NLAXFVXUIBWKDQ-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000787844302 877662568 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GHADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1ccc(CN2CCCCC2)cc1 ZINC000551836850 877904508 /nfs/dbraw/zinc/90/45/08/877904508.db2.gz UBZRJJVFNFYSBC-UHFFFAOYSA-N -1 3 384.530 3.927 20 0 GHADHM CC(=O)OC[C@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])c1ccccc1 ZINC001183109395 912290794 /nfs/dbraw/zinc/29/07/94/912290794.db2.gz CDFSVHWPWAUEDS-KRWDZBQOSA-N -1 3 399.443 3.633 20 0 GHADHM Cc1nc(Cl)ccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000788495372 878104262 /nfs/dbraw/zinc/10/42/62/878104262.db2.gz JXQUWTHOLPKHFN-UHFFFAOYSA-N -1 3 381.816 3.779 20 0 GHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(F)cc1 ZINC000179849883 878105150 /nfs/dbraw/zinc/10/51/50/878105150.db2.gz TVFLYGWBPDDIKF-KRWDZBQOSA-N -1 3 396.809 3.934 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCCC3=O)cc2)sc1Cl ZINC000788887830 878410035 /nfs/dbraw/zinc/41/00/35/878410035.db2.gz YQXPNUQECFLVAA-GFCCVEGCSA-N -1 3 398.937 3.876 20 0 GHADHM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000451750028 878414753 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3.606 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1[O-] ZINC000531193518 879289753 /nfs/dbraw/zinc/28/97/53/879289753.db2.gz NSDCEELNRJZZQG-UHFFFAOYSA-N -1 3 375.490 3.920 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000531235745 879378671 /nfs/dbraw/zinc/37/86/71/879378671.db2.gz IXKMTWMYWSTUIF-QHCPKHFHSA-N -1 3 378.472 3.861 20 0 GHADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)CCC4)cc2)c1C ZINC000461218400 879406953 /nfs/dbraw/zinc/40/69/53/879406953.db2.gz JADTYBGQNSFTAF-UHFFFAOYSA-N -1 3 395.484 3.809 20 0 GHADHM O=C(NCc1ccnc(-n2ccnc2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746884193 879486364 /nfs/dbraw/zinc/48/63/64/879486364.db2.gz FBWFJZQUBUZWLA-UHFFFAOYSA-N -1 3 386.411 3.695 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c([O-])c1 ZINC000452490553 879563167 /nfs/dbraw/zinc/56/31/67/879563167.db2.gz UAUMNAUNDFRJAT-DENIHFKCSA-N -1 3 387.451 3.511 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1ccc(F)c(F)c1F ZINC000461340618 879640262 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ZINC000494110390 879938560 /nfs/dbraw/zinc/93/85/60/879938560.db2.gz GISKBKMBKSUIBL-RUZUBIRVSA-N -1 3 379.416 3.808 20 0 GHADHM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2c(C)c(Br)ccc2[O-])cc1 ZINC000452747271 879969498 /nfs/dbraw/zinc/96/94/98/879969498.db2.gz HVUOIDXESXEZNF-DIFFPNOSSA-N -1 3 378.266 3.875 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000112521439 880009453 /nfs/dbraw/zinc/00/94/53/880009453.db2.gz YEJNVJLHROMCQL-LLVKDONJSA-N -1 3 384.885 3.902 20 0 GHADHM COc1nnc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)[n-]1 ZINC000183003263 880049694 /nfs/dbraw/zinc/04/96/94/880049694.db2.gz LXJHTCKQPTXXPP-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM COc1nc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n[n-]1 ZINC000183003263 880049700 /nfs/dbraw/zinc/04/97/00/880049700.db2.gz LXJHTCKQPTXXPP-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM COc1n[n-]c(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1 ZINC000183003263 880049711 /nfs/dbraw/zinc/04/97/11/880049711.db2.gz LXJHTCKQPTXXPP-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM Cc1cc2[nH]ncc2cc1NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000791057196 880183732 /nfs/dbraw/zinc/18/37/32/880183732.db2.gz NLYYGUZNLYPAIF-UHFFFAOYSA-N -1 3 394.456 3.648 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000152552924 880238704 /nfs/dbraw/zinc/23/87/04/880238704.db2.gz IFARXSOESSLGES-AATRIKPKSA-N -1 3 398.473 3.719 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000531760088 880427416 /nfs/dbraw/zinc/42/74/16/880427416.db2.gz KGEMWFCLXHBYJT-UHFFFAOYSA-N -1 3 390.553 3.786 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1c[nH]c2cccc(F)c21 ZINC000185180907 880499678 /nfs/dbraw/zinc/49/96/78/880499678.db2.gz LWEIBYNRFWHIKV-UHFFFAOYSA-N -1 3 396.827 3.923 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccn(Cc2ccccc2)c1=O ZINC000531872413 880656978 /nfs/dbraw/zinc/65/69/78/880656978.db2.gz YKXPWUZIKJAFOR-UHFFFAOYSA-N -1 3 388.345 3.873 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(F)(c2ccccc2)CC1 ZINC000509485072 880721588 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COC(=O)c1cnc([C@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)s1 ZINC000856461262 881257254 /nfs/dbraw/zinc/25/72/54/881257254.db2.gz RRFMORYEFNWLMS-AWEZNQCLSA-N -1 3 396.468 3.808 20 0 GHADHM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc21 ZINC000551111905 883296894 /nfs/dbraw/zinc/29/68/94/883296894.db2.gz GNQQZLXZQCYHGG-UHFFFAOYSA-N -1 3 396.443 3.579 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)C1 ZINC000078520328 883490807 /nfs/dbraw/zinc/49/08/07/883490807.db2.gz XQWVLFMLVGORSE-RDTXWAMCSA-N -1 3 392.455 3.918 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000193806446 883512844 /nfs/dbraw/zinc/51/28/44/883512844.db2.gz UGBIKJYMRDUFLG-QFIPXVFZSA-N -1 3 389.499 3.810 20 0 GHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cc2F)c1 ZINC000135913144 883588977 /nfs/dbraw/zinc/58/89/77/883588977.db2.gz PJFQZJFLJVUAJB-UHFFFAOYSA-N -1 3 382.420 3.669 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC000805300442 883711754 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O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476134486 884058287 /nfs/dbraw/zinc/05/82/87/884058287.db2.gz DORKUSFGWYGDTH-UHFFFAOYSA-N -1 3 383.322 3.937 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000227440121 884058655 /nfs/dbraw/zinc/05/86/55/884058655.db2.gz UPISPYNLOHJFMF-UWVGGRQHSA-N -1 3 384.386 3.772 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000227440095 884059346 /nfs/dbraw/zinc/05/93/46/884059346.db2.gz UPISPYNLOHJFMF-ZJUUUORDSA-N -1 3 384.386 3.772 20 0 GHADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCCCF ZINC000805830192 884143037 /nfs/dbraw/zinc/14/30/37/884143037.db2.gz YCGYHFIMXPRABK-HOCLYGCPSA-N -1 3 376.394 3.629 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1-c1ccccc1C ZINC000064374115 884235574 /nfs/dbraw/zinc/23/55/74/884235574.db2.gz ZCXNRCYXOZWDBP-UHFFFAOYSA-N -1 3 399.454 3.800 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@@H]1C[C@H]1C ZINC000556266579 884291836 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GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Br)cc3c2OCC3)C1 ZINC000322304825 884565562 /nfs/dbraw/zinc/56/55/62/884565562.db2.gz VYGAZCKITPZHMZ-CQSZACIVSA-N -1 3 382.298 3.707 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2sc3ncccc3c2Cl)[n-]n1 ZINC000898094360 884581737 /nfs/dbraw/zinc/58/17/37/884581737.db2.gz MKERHVDRDRWBPJ-UHFFFAOYSA-N -1 3 378.841 3.880 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2sc3ncccc3c2Cl)n[n-]1 ZINC000898094360 884581749 /nfs/dbraw/zinc/58/17/49/884581749.db2.gz MKERHVDRDRWBPJ-UHFFFAOYSA-N -1 3 378.841 3.880 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1Cl ZINC000914724945 884616328 /nfs/dbraw/zinc/61/63/28/884616328.db2.gz DSRPBWYPHQYMNM-UHFFFAOYSA-N -1 3 398.887 3.833 20 0 GHADHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000898216866 884636075 /nfs/dbraw/zinc/63/60/75/884636075.db2.gz XLDLWZAPIQCXGQ-MMJUYHKESA-N -1 3 383.414 3.580 20 0 GHADHM Cc1cc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)s1 ZINC000914732742 884641162 /nfs/dbraw/zinc/64/11/62/884641162.db2.gz MRJQYMFUOZXIPI-LBPRGKRZSA-N -1 3 398.525 3.682 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3c(C)nn(C)c3C)c2)n1 ZINC000498500839 884642369 /nfs/dbraw/zinc/64/23/69/884642369.db2.gz LJNSRXXWBHAMIQ-LBPRGKRZSA-N -1 3 379.464 3.504 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000860442451 884681398 /nfs/dbraw/zinc/68/13/98/884681398.db2.gz OEKUNINXTKDPCW-LBPRGKRZSA-N -1 3 397.269 3.707 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)c(C)c2)c1 ZINC000105600598 884821806 /nfs/dbraw/zinc/82/18/06/884821806.db2.gz SVTQTOWGYHLBGA-UHFFFAOYSA-N -1 3 391.471 3.764 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccccc3)n2Cc2ccco2)n1 ZINC000761862539 884893000 /nfs/dbraw/zinc/89/30/00/884893000.db2.gz XKTSTLSVBBMMPH-UHFFFAOYSA-N -1 3 379.445 3.683 20 0 GHADHM COc1ccc(-c2noc(COC(=O)c3cc4ccsc4[n-]3)n2)c(OC)c1 ZINC000914890897 885115173 /nfs/dbraw/zinc/11/51/73/885115173.db2.gz JKKIIUUSJOWNIW-UHFFFAOYSA-N -1 3 385.401 3.654 20 0 GHADHM COc1ccc([C@H](NC(=O)COC(=O)c2cc3ccsc3[n-]2)C(C)C)cc1 ZINC000914890905 885115597 /nfs/dbraw/zinc/11/55/97/885115597.db2.gz JUWQCMMITCSBAH-GOSISDBHSA-N -1 3 386.473 3.908 20 0 GHADHM O=S(=O)([N-]CC[C@@H](O)c1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795864496 912900191 /nfs/dbraw/zinc/90/01/91/912900191.db2.gz QOIDNMZDORCZSB-CQSZACIVSA-N -1 3 393.814 3.761 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000861010269 885163702 /nfs/dbraw/zinc/16/37/02/885163702.db2.gz MVULKJMUGUGVPK-DXPJPUQTSA-N -1 3 386.391 3.692 20 0 GHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(Cc4cccc(F)c4)s3)cc12 ZINC000107165697 885251128 /nfs/dbraw/zinc/25/11/28/885251128.db2.gz PSDMBSKSFFHUOU-UHFFFAOYSA-N -1 3 387.465 3.777 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000747376744 885303700 /nfs/dbraw/zinc/30/37/00/885303700.db2.gz YZRUVLAXBQMEDJ-GXTWGEPZSA-N -1 3 379.382 3.919 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccc(C)c(C)c3)n[n-]2)o1 ZINC000919324894 885332473 /nfs/dbraw/zinc/33/24/73/885332473.db2.gz JAAHPMYUPHHKEV-HNNXBMFYSA-N -1 3 381.432 3.629 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccc(C)c(C)c3)[n-]n2)o1 ZINC000919324894 885332494 /nfs/dbraw/zinc/33/24/94/885332494.db2.gz JAAHPMYUPHHKEV-HNNXBMFYSA-N -1 3 381.432 3.629 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1nc(C)cs1 ZINC000104760461 885605264 /nfs/dbraw/zinc/60/52/64/885605264.db2.gz XYVBWMUPYUPLRD-LLVKDONJSA-N -1 3 393.303 3.783 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000104767278 885607140 /nfs/dbraw/zinc/60/71/40/885607140.db2.gz GXZBLIPGOKZGBQ-IBGZPJMESA-N -1 3 375.428 3.644 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108771722 885881764 /nfs/dbraw/zinc/88/17/64/885881764.db2.gz GPTQDSNKURHJPW-MSOLQXFVSA-N -1 3 380.469 3.954 20 0 GHADHM O=C(N[C@@H](C1CC1)C1CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000556698174 885938420 /nfs/dbraw/zinc/93/84/20/885938420.db2.gz PAIQGLYKXGWEDV-QGZVFWFLSA-N -1 3 375.266 3.599 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000861921968 885994306 /nfs/dbraw/zinc/99/43/06/885994306.db2.gz RQTTWOOWXPPDCU-DLBZAZTESA-N -1 3 388.508 3.810 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)cc2[nH]ccc21 ZINC000808122929 886032010 /nfs/dbraw/zinc/03/20/10/886032010.db2.gz JYUDSLXQLMXSAA-UHFFFAOYSA-N -1 3 398.440 3.520 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1Cl ZINC000460442263 886047938 /nfs/dbraw/zinc/04/79/38/886047938.db2.gz INTHLGCLPSSQTN-UHFFFAOYSA-N -1 3 382.869 3.522 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(Cl)nc1Cl ZINC000808349220 886253715 /nfs/dbraw/zinc/25/37/15/886253715.db2.gz KFXFKSQUQRUGDK-CHWSQXEVSA-N -1 3 387.288 3.587 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000057155107 886537431 /nfs/dbraw/zinc/53/74/31/886537431.db2.gz NZJQEEXQQMCXEO-UHFFFAOYSA-N -1 3 391.140 3.568 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000057155107 886537440 /nfs/dbraw/zinc/53/74/40/886537440.db2.gz NZJQEEXQQMCXEO-UHFFFAOYSA-N -1 3 391.140 3.568 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000762634112 886576217 /nfs/dbraw/zinc/57/62/17/886576217.db2.gz ZOQNFVVKWWZTQY-WMLDXEAASA-N -1 3 388.514 3.601 20 0 GHADHM Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)ccc1-c1ccccc1 ZINC000762667704 886658801 /nfs/dbraw/zinc/65/88/01/886658801.db2.gz RZEAANSGMBEYCR-UHFFFAOYSA-N -1 3 378.403 3.762 20 0 GHADHM COc1cccc2c(C(=O)OCc3nnc(-c4cccc(Cl)c4)o3)n[n-]c21 ZINC000808672514 886666614 /nfs/dbraw/zinc/66/66/14/886666614.db2.gz PQPMLBJOEVQZNE-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000808672514 886666619 /nfs/dbraw/zinc/66/66/19/886666619.db2.gz PQPMLBJOEVQZNE-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COc1cccc2c(C(=O)OCc3coc(-c4ccc(F)c(F)c4)n3)n[n-]c21 ZINC000808675322 886670780 /nfs/dbraw/zinc/67/07/80/886670780.db2.gz CPLSCMKGHBGQNB-UHFFFAOYSA-N -1 3 385.326 3.862 20 0 GHADHM COc1cccc2c(C(=O)OCc3coc(-c4ccc(F)c(F)c4)n3)[n-]nc21 ZINC000808675322 886670787 /nfs/dbraw/zinc/67/07/87/886670787.db2.gz CPLSCMKGHBGQNB-UHFFFAOYSA-N -1 3 385.326 3.862 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)n[n-]c21 ZINC000808676174 886673347 /nfs/dbraw/zinc/67/33/47/886673347.db2.gz GLLZHRZUKYNZLE-HNNXBMFYSA-N -1 3 395.459 3.554 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)[n-]nc21 ZINC000808676174 886673361 /nfs/dbraw/zinc/67/33/61/886673361.db2.gz GLLZHRZUKYNZLE-HNNXBMFYSA-N -1 3 395.459 3.554 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)c3ccc(OC)c(Cl)c3)n[n-]c21 ZINC000808675784 886675452 /nfs/dbraw/zinc/67/54/52/886675452.db2.gz SHROSYNSOOGUDD-SNVBAGLBSA-N -1 3 388.807 3.662 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)c3ccc(OC)c(Cl)c3)[n-]nc21 ZINC000808675784 886675456 /nfs/dbraw/zinc/67/54/56/886675456.db2.gz SHROSYNSOOGUDD-SNVBAGLBSA-N -1 3 388.807 3.662 20 0 GHADHM CC(C)Oc1ccccc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291346 886733934 /nfs/dbraw/zinc/73/39/34/886733934.db2.gz ANYTXYDGRDPDHF-UHFFFAOYSA-N -1 3 390.793 3.630 20 0 GHADHM C[C@@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)OC(C)(C)C ZINC000762850540 886858421 /nfs/dbraw/zinc/85/84/21/886858421.db2.gz AQRXMMIQMFDKDV-SNVBAGLBSA-N -1 3 395.253 3.726 20 0 GHADHM COCO[C@H](C)c1cc(F)c(C=Cc2nccc(=O)[n-]2)cc1Br ZINC000863185734 886909775 /nfs/dbraw/zinc/90/97/75/886909775.db2.gz AKBJYHICBUIXLV-HMDXOVGESA-N -1 3 383.217 3.936 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1ccc(F)cc1 ZINC000119342911 886929046 /nfs/dbraw/zinc/92/90/46/886929046.db2.gz NUPXKQUIQXHILU-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863240927 886955227 /nfs/dbraw/zinc/95/52/27/886955227.db2.gz SHPAVDHBNKYFOO-DHSIGJKJSA-N -1 3 380.394 3.682 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)cc2)n1 ZINC001299198662 887069957 /nfs/dbraw/zinc/06/99/57/887069957.db2.gz OLPMEXLVJRYFOU-UHFFFAOYSA-N -1 3 395.423 3.767 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cc2)n1 ZINC001299198662 887069966 /nfs/dbraw/zinc/06/99/66/887069966.db2.gz OLPMEXLVJRYFOU-UHFFFAOYSA-N -1 3 395.423 3.767 20 0 GHADHM CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000863529489 887194454 /nfs/dbraw/zinc/19/44/54/887194454.db2.gz LJABQKFNAAAXTB-SFHVURJKSA-N -1 3 382.460 3.733 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)c3ccc(C)s3)CC2)cc(Cl)c1[O-] ZINC000459332390 887442858 /nfs/dbraw/zinc/44/28/58/887442858.db2.gz WMZCGCMMNOYNHX-UHFFFAOYSA-N -1 3 394.924 3.772 20 0 GHADHM CC(C)OC[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)[O-] ZINC000864516725 887820351 /nfs/dbraw/zinc/82/03/51/887820351.db2.gz NKHXAJIYJMZJTJ-SFHVURJKSA-N -1 3 390.867 3.560 20 0 GHADHM COc1cc(C[NH2+][C@H](CC(=O)[O-])C2CCCCC2)cc(Br)c1[O-] ZINC000864519180 887821674 /nfs/dbraw/zinc/82/16/74/887821674.db2.gz HDUPYGVTBNDOSI-CQSZACIVSA-N -1 3 386.286 3.677 20 0 GHADHM COc1c(C)cnc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1C ZINC000797824321 887945486 /nfs/dbraw/zinc/94/54/86/887945486.db2.gz JLPADWHQLUQSBI-UHFFFAOYSA-N -1 3 393.267 3.631 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1C ZINC000194161427 888078171 /nfs/dbraw/zinc/07/81/71/888078171.db2.gz SNIJGALHUMFEJR-UHFFFAOYSA-N -1 3 388.489 3.770 20 0 GHADHM O=C(COC(=O)c1cccc(Br)c1[O-])C1CCC(F)(F)CC1 ZINC000763181570 888128259 /nfs/dbraw/zinc/12/82/59/888128259.db2.gz IZLDVWCOOOQZJC-UHFFFAOYSA-N -1 3 377.181 3.706 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000055633024 888220343 /nfs/dbraw/zinc/22/03/43/888220343.db2.gz APRSPBLLWDIXLP-UHFFFAOYSA-N -1 3 383.853 3.701 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)c(C)c1 ZINC000614856487 888282981 /nfs/dbraw/zinc/28/29/81/888282981.db2.gz DZWXYBKVFVBEQQ-UHFFFAOYSA-N -1 3 387.461 3.780 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cccc3ccsc32)C1)C(F)(F)F ZINC000810197937 888284688 /nfs/dbraw/zinc/28/46/88/888284688.db2.gz AWGHYUFFCCLXME-LLVKDONJSA-N -1 3 385.411 3.824 20 0 GHADHM COc1cc(Br)c(CSCc2nc(C)cc(=O)[n-]2)cc1OC ZINC000763212677 888307072 /nfs/dbraw/zinc/30/70/72/888307072.db2.gz YHLJNOXPYMWBBL-UHFFFAOYSA-N -1 3 385.283 3.704 20 0 GHADHM CC[C@H](C)n1c(SCc2nc3c(c(=O)[n-]2)COCC3)nnc1-c1ccccc1 ZINC000865354672 888311918 /nfs/dbraw/zinc/31/19/18/888311918.db2.gz WGIRAFFGSMNSMW-ZDUSSCGKSA-N -1 3 397.504 3.777 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)n(C(C)(C)C)n3)c2)n1 ZINC000055408130 888316440 /nfs/dbraw/zinc/31/64/40/888316440.db2.gz WLVINOQATUJQFN-UHFFFAOYSA-N -1 3 379.464 3.512 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000056009646 888331380 /nfs/dbraw/zinc/33/13/80/888331380.db2.gz GDYNDRLBRYMFFJ-AWEZNQCLSA-N -1 3 380.444 3.817 20 0 GHADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000053672475 888372688 /nfs/dbraw/zinc/37/26/88/888372688.db2.gz SHTYFBOZCXKYQB-UHFFFAOYSA-N -1 3 385.316 3.941 20 0 GHADHM CCN(Cc1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1)C(=O)OC(C)(C)C ZINC000810288561 888385313 /nfs/dbraw/zinc/38/53/13/888385313.db2.gz RENUPJKXMGFEDU-UHFFFAOYSA-N -1 3 398.822 3.871 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-n2ccc(=O)[n-]2)cc1)CC(F)F ZINC000865643744 888496457 /nfs/dbraw/zinc/49/64/57/888496457.db2.gz CUDNYSSXIIHJAG-CYBMUJFWSA-N -1 3 382.411 3.538 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@]2(C)CC(C)C)cc1OC ZINC000454296887 888507423 /nfs/dbraw/zinc/50/74/23/888507423.db2.gz IDCPMVKOAAWXMG-IBGZPJMESA-N -1 3 397.541 3.889 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1c(F)cccc1OC(F)(F)F ZINC001184483988 913251602 /nfs/dbraw/zinc/25/16/02/913251602.db2.gz OWXLHWYKWZWYCV-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000810526761 888598819 /nfs/dbraw/zinc/59/88/19/888598819.db2.gz FSGNVHBDVWJLSV-OLZOCXBDSA-N -1 3 382.888 3.811 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)cc1 ZINC000747608769 888638212 /nfs/dbraw/zinc/63/82/12/888638212.db2.gz MZFJZBPPZDDWMO-LULHVWEPSA-N -1 3 389.473 3.851 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=S)NC2CCCCC2)CC1 ZINC000916026484 888640558 /nfs/dbraw/zinc/64/05/58/888640558.db2.gz LMVCZEWJONTKOH-UHFFFAOYSA-N -1 3 395.956 3.903 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCOc3ccccc3F)cc2)cc(=O)[n-]1 ZINC000916222774 888849713 /nfs/dbraw/zinc/84/97/13/888849713.db2.gz JYFFMVFOPRFUQZ-UHFFFAOYSA-N -1 3 396.422 3.887 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc([O-])ccc3Cl)C2)CC1 ZINC000810876352 888944303 /nfs/dbraw/zinc/94/43/03/888944303.db2.gz GVRWWLJGKGPOSJ-UHFFFAOYSA-N -1 3 394.899 3.909 20 0 GHADHM Cc1nc(-c2cc([C@@H](C)NCc3nc4c(c(=O)[n-]3)COCC4)cs2)cs1 ZINC000866628962 888981715 /nfs/dbraw/zinc/98/17/15/888981715.db2.gz VENVYKXJZZKSJM-SNVBAGLBSA-N -1 3 388.518 3.599 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)sc21 ZINC000032836716 888984932 /nfs/dbraw/zinc/98/49/32/888984932.db2.gz ZMWZDJHJMYEXPC-UHFFFAOYSA-N -1 3 398.465 3.568 20 0 GHADHM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810902717 889010019 /nfs/dbraw/zinc/01/00/19/889010019.db2.gz DWWHFJCPZBJWKP-TZIYXEQSSA-N -1 3 388.817 3.660 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](O)c3cccc(Cl)c3)cc2)cc(=O)[n-]1 ZINC000916468268 889030907 /nfs/dbraw/zinc/03/09/07/889030907.db2.gz MUFJBEMTALDNHM-SFHVURJKSA-N -1 3 398.850 3.666 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OCc1ccccc1 ZINC000810921882 889037385 /nfs/dbraw/zinc/03/73/85/889037385.db2.gz AAFZOBDAKBOGKX-QGZVFWFLSA-N -1 3 375.852 3.934 20 0 GHADHM COCc1cccc2sc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)nc21 ZINC000532861839 889110749 /nfs/dbraw/zinc/11/07/49/889110749.db2.gz FROCUILYSNWHES-UHFFFAOYSA-N -1 3 397.431 3.984 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H]2CCCC[C@@H]2F)cc(C(F)(F)F)c1 ZINC000811056644 889155428 /nfs/dbraw/zinc/15/54/28/889155428.db2.gz GMVJQTJFNGHKID-STQMWFEESA-N -1 3 383.363 3.514 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cnc(CCC(F)(F)F)s1 ZINC001127411990 889208135 /nfs/dbraw/zinc/20/81/35/889208135.db2.gz VQGAAQKZJTYDQP-UHFFFAOYSA-N -1 3 385.396 3.804 20 0 GHADHM CC(C)CN1C(=O)C[C@@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321882 913341193 /nfs/dbraw/zinc/34/11/93/913341193.db2.gz KXVFHQZRHQAWFM-LJQANCHMSA-N -1 3 399.318 3.696 20 0 GHADHM COc1cc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cc(OC)c1OC ZINC000459385737 889440853 /nfs/dbraw/zinc/44/08/53/889440853.db2.gz AFSNSDBQKBNEBB-AWEZNQCLSA-N -1 3 395.459 3.726 20 0 GHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCc1ccccc1F ZINC000811395069 889535968 /nfs/dbraw/zinc/53/59/68/889535968.db2.gz TXWPBAVEEGLNDZ-SECBINFHSA-N -1 3 380.828 3.884 20 0 GHADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000124223480 889552654 /nfs/dbraw/zinc/55/26/54/889552654.db2.gz DRLAXILTAUBIHB-UHFFFAOYSA-N -1 3 377.194 3.892 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCc4c(C)cc(C)cc43)nc(=O)c2c1C ZINC000533047179 889614338 /nfs/dbraw/zinc/61/43/38/889614338.db2.gz HXISVNZJSBJQRY-UHFFFAOYSA-N -1 3 397.500 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3cccc(O)c3)cc2)cc1 ZINC000063536719 889648052 /nfs/dbraw/zinc/64/80/52/889648052.db2.gz WXUDFFZTMRITDY-UHFFFAOYSA-N -1 3 396.468 3.683 20 0 GHADHM COC(=O)[C@@](C)(Cc1ccc(F)cc1)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC001132887500 889763097 /nfs/dbraw/zinc/76/30/97/889763097.db2.gz FHASZYHYSZADTR-LJQANCHMSA-N -1 3 379.378 3.517 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000124830349 889781417 /nfs/dbraw/zinc/78/14/17/889781417.db2.gz UUTMNDOCDGHHSA-UHFFFAOYSA-N -1 3 380.366 3.808 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(F)c(F)cc2N2CCCCC2)c2ccccc21 ZINC000811627602 889793837 /nfs/dbraw/zinc/79/38/37/889793837.db2.gz VMOKYFMIWDMYRU-NTCAYCPXSA-N -1 3 383.398 3.678 20 0 GHADHM CCc1cc2c(CN3C[C@H](C(F)(F)F)OC(C)(C)C3)cc(=O)oc2cc1[O-] ZINC000795059014 889796956 /nfs/dbraw/zinc/79/69/56/889796956.db2.gz BKWVXJAMWIBJKM-MRXNPFEDSA-N -1 3 385.382 3.603 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000811604655 889804016 /nfs/dbraw/zinc/80/40/16/889804016.db2.gz VJLLBJYMORZRKC-UHFFFAOYSA-N -1 3 392.390 3.636 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@@H]1COc2ccccc21 ZINC000533178491 889914893 /nfs/dbraw/zinc/91/48/93/889914893.db2.gz NGAUEBVCRPXIPP-WBMJQRKESA-N -1 3 375.421 3.723 20 0 GHADHM Cc1cc2nc(C)c(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c(C)n2n1 ZINC000125250923 889924089 /nfs/dbraw/zinc/92/40/89/889924089.db2.gz DDCQCWRPDRMLGE-UHFFFAOYSA-N -1 3 392.381 3.950 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3cccc(C(C)C)c3)cc2)n1 ZINC000064446760 889953037 /nfs/dbraw/zinc/95/30/37/889953037.db2.gz VNWZUSBNLYHTPL-UHFFFAOYSA-N -1 3 377.444 3.886 20 0 GHADHM O=C([O-])C[C@@H]1CCCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000533202855 889988921 /nfs/dbraw/zinc/98/89/21/889988921.db2.gz QGTSETLHKTVUPT-IBGZPJMESA-N -1 3 394.515 3.512 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)c2cc(C)n(-c3nccs3)c2C)n1 ZINC000125628188 890057640 /nfs/dbraw/zinc/05/76/40/890057640.db2.gz TZYAQPWWUPRIDF-UHFFFAOYSA-N -1 3 388.518 3.725 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)COc3ccccc3)cc2)cc(=O)[n-]1 ZINC000916709720 890096644 /nfs/dbraw/zinc/09/66/44/890096644.db2.gz UQNGDKPLRZPGQF-CQSZACIVSA-N -1 3 378.432 3.747 20 0 GHADHM COCCN(CCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000533255351 890107688 /nfs/dbraw/zinc/10/76/88/890107688.db2.gz FLEIFBLRAGMYMO-UHFFFAOYSA-N -1 3 377.444 3.773 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812003480 890228336 /nfs/dbraw/zinc/22/83/36/890228336.db2.gz DZIXULIGPSXVMA-ZBFHGGJFSA-N -1 3 399.457 3.874 20 0 GHADHM CCC[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000812026228 890236089 /nfs/dbraw/zinc/23/60/89/890236089.db2.gz IVEVNZUWRHLZPC-ZBFHGGJFSA-N -1 3 391.478 3.836 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000126195788 890419212 /nfs/dbraw/zinc/41/92/12/890419212.db2.gz VWLAHSRANOQSKD-OAHLLOKOSA-N -1 3 390.281 3.551 20 0 GHADHM CCCCC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001184817557 913457089 /nfs/dbraw/zinc/45/70/89/913457089.db2.gz LMRXRRJWWIZTCZ-VIFPVBQESA-N -1 3 382.707 3.529 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000126467639 890549457 /nfs/dbraw/zinc/54/94/57/890549457.db2.gz CLAQTDPGRGKRJZ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000126516832 890574802 /nfs/dbraw/zinc/57/48/02/890574802.db2.gz CCSLOWIIXZYDBZ-UHFFFAOYSA-N -1 3 392.249 3.965 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(N2CCCCC2=O)cc1 ZINC000812386399 890599003 /nfs/dbraw/zinc/59/90/03/890599003.db2.gz STKIWGUGVMKUCR-OAHLLOKOSA-N -1 3 389.455 3.536 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](OCc2ccccc2)CC1)c1cccnc1Cl ZINC001184832853 913469913 /nfs/dbraw/zinc/46/99/13/913469913.db2.gz KMOLYPZJYINULV-WKILWMFISA-N -1 3 380.897 3.541 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)C(C2CC2)C2CC2)c2ccccc21)C(F)(F)F ZINC000871315808 890750142 /nfs/dbraw/zinc/75/01/42/890750142.db2.gz MRDMRUAYXZCWDR-AWEZNQCLSA-N -1 3 380.410 3.622 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)O1 ZINC000871315441 890750177 /nfs/dbraw/zinc/75/01/77/890750177.db2.gz IXBAEKKIRJDVSB-QLFBSQMISA-N -1 3 398.425 3.533 20 0 GHADHM CC(C)n1cccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315912 890750537 /nfs/dbraw/zinc/75/05/37/890750537.db2.gz NSMDPIXTWNNCJL-AWEZNQCLSA-N -1 3 393.409 3.882 20 0 GHADHM Cc1nc(C(=O)[N-]c2c(Cl)nc(C)nc2Cl)sc1Br ZINC001184879361 913509658 /nfs/dbraw/zinc/50/96/58/913509658.db2.gz YRZBFAJSACRSDJ-UHFFFAOYSA-N -1 3 382.070 3.872 20 0 GHADHM Cc1ccc(-n2nc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)c3c2CCCC3)cc1 ZINC000533676181 891084326 /nfs/dbraw/zinc/08/43/26/891084326.db2.gz NADDYYBYASVRIP-UHFFFAOYSA-N -1 3 398.470 3.519 20 0 GHADHM CCC1CCC([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)(C(=O)OC)CC1 ZINC001126748676 891172438 /nfs/dbraw/zinc/17/24/38/891172438.db2.gz HAFMNQKYENFMPE-UHFFFAOYSA-N -1 3 388.842 3.763 20 0 GHADHM Cc1cc(C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)c(C)n1Cc1cccs1 ZINC000747834465 891222877 /nfs/dbraw/zinc/22/28/77/891222877.db2.gz SOMFMBDBIINDHJ-UHFFFAOYSA-N -1 3 396.512 3.996 20 0 GHADHM Cc1ccnc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c1Br ZINC000872323587 891238980 /nfs/dbraw/zinc/23/89/80/891238980.db2.gz MMCRRXNGGKZMNH-CABCVRRESA-N -1 3 393.256 3.592 20 0 GHADHM CCN(CC)[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000067269541 891246603 /nfs/dbraw/zinc/24/66/03/891246603.db2.gz NMDKLVJYXCTIKV-OAQYLSRUSA-N -1 3 390.487 3.767 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1NC(=O)c1ccncc1 ZINC000067273576 891247676 /nfs/dbraw/zinc/24/76/76/891247676.db2.gz RMZPWCKITUFTQC-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)CC2CC3(CCC3)C2)c2ccc(Cl)cc2)no1 ZINC000872468800 891267074 /nfs/dbraw/zinc/26/70/74/891267074.db2.gz YXJQPYWCDURMBV-INIZCTEOSA-N -1 3 395.912 3.621 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCCC(=O)c1ccccc1 ZINC000825609536 891270536 /nfs/dbraw/zinc/27/05/36/891270536.db2.gz OUEYLVKLFJYPKR-UHFFFAOYSA-N -1 3 394.431 3.614 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCCC(=O)c1ccccc1 ZINC000825609536 891270550 /nfs/dbraw/zinc/27/05/50/891270550.db2.gz OUEYLVKLFJYPKR-UHFFFAOYSA-N -1 3 394.431 3.614 20 0 GHADHM CC(C)CCCCCC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001184929227 913542420 /nfs/dbraw/zinc/54/24/20/913542420.db2.gz ZWBAFENSGFJFSV-HSZRJFAPSA-N -1 3 378.535 3.723 20 0 GHADHM CC(C)(C)OCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000796178480 913545185 /nfs/dbraw/zinc/54/51/85/913545185.db2.gz ATKFGQKJYWXKQW-UHFFFAOYSA-N -1 3 396.431 3.611 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1cccc2c(Cl)ccnc21 ZINC001212042570 891396429 /nfs/dbraw/zinc/39/64/29/891396429.db2.gz MWHDQHSAXCXCIT-UHFFFAOYSA-N -1 3 382.819 3.959 20 0 GHADHM CC(C)(Cc1ccc2ccccc2c1)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185059398 913605525 /nfs/dbraw/zinc/60/55/25/913605525.db2.gz VNPVXYIBPNJKHD-UHFFFAOYSA-N -1 3 375.881 3.583 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCC(F)(F)C1)c1c(Cl)nc2sccn21 ZINC000813712717 891890092 /nfs/dbraw/zinc/89/00/92/891890092.db2.gz KNEAXPJTDDEMFF-SECBINFHSA-N -1 3 383.873 3.543 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc(F)cc1F ZINC001212088662 891943623 /nfs/dbraw/zinc/94/36/23/891943623.db2.gz YYHCGIUSQWTQIS-SFHVURJKSA-N -1 3 381.444 3.537 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-]C2(C(F)F)CCCC2)CC1 ZINC000813885133 892067843 /nfs/dbraw/zinc/06/78/43/892067843.db2.gz OTRBDDSPBMNQSR-UHFFFAOYSA-N -1 3 396.425 3.963 20 0 GHADHM CCc1cnccc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825734265 892120568 /nfs/dbraw/zinc/12/05/68/892120568.db2.gz KUGCOHNBKOWSGT-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)Nc1ccc([O-])c(I)c1 ZINC001185090323 913631648 /nfs/dbraw/zinc/63/16/48/913631648.db2.gz UWCSHNIHVLGXOD-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1ccc(Cl)nc1Cl ZINC000747902443 892260143 /nfs/dbraw/zinc/26/01/43/892260143.db2.gz QKQHZRARCOZEGH-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3ccccc3F)s2)c2ccccc21 ZINC000917604200 892273123 /nfs/dbraw/zinc/27/31/23/892273123.db2.gz KBUQCAQMMGODDS-LFIBNONCSA-N -1 3 379.416 3.596 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC2CCCCC2)c1)c1cnc(Cl)nc1 ZINC001185070719 913645315 /nfs/dbraw/zinc/64/53/15/913645315.db2.gz ZXOVQDGUXYITDK-UHFFFAOYSA-N -1 3 395.912 3.568 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1Cc1ccccc1 ZINC000497738037 892294591 /nfs/dbraw/zinc/29/45/91/892294591.db2.gz BGRFDKBGIIWCCQ-UHFFFAOYSA-N -1 3 390.447 3.823 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000497822209 892503572 /nfs/dbraw/zinc/50/35/72/892503572.db2.gz WICYFLLPQWWBLM-IRXDYDNUSA-N -1 3 399.249 3.638 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-])ccc21 ZINC000263318501 892520206 /nfs/dbraw/zinc/52/02/06/892520206.db2.gz JBSNBJHZGUSNFV-LSDHHAIUSA-N -1 3 381.476 3.794 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc(CC)c[nH]3)nc(=O)c2c1C ZINC000128854295 892541296 /nfs/dbraw/zinc/54/12/96/892541296.db2.gz QREKPUXSNIDKSO-VIFPVBQESA-N -1 3 392.506 3.609 20 0 GHADHM CN(C(=O)[C@@H]1CCc2c1cccc2Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812622 892773008 /nfs/dbraw/zinc/77/30/08/892773008.db2.gz OUSDBICIAZCAFW-CYBMUJFWSA-N -1 3 388.258 3.866 20 0 GHADHM CN(C(=O)[C@@H]1CCc2c1cccc2Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812622 892773017 /nfs/dbraw/zinc/77/30/17/892773017.db2.gz OUSDBICIAZCAFW-CYBMUJFWSA-N -1 3 388.258 3.866 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)c(=O)[n-]1 ZINC000876335589 893078690 /nfs/dbraw/zinc/07/86/90/893078690.db2.gz ITZGEHZNGLQIRX-FZKQIMNGSA-N -1 3 391.475 3.679 20 0 GHADHM Cc1cc(Cl)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000455733895 893164323 /nfs/dbraw/zinc/16/43/23/893164323.db2.gz PJVXRRZGGJPALE-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(Cl)c(Cl)[n-]3)ccc21 ZINC000021730949 893242023 /nfs/dbraw/zinc/24/20/23/893242023.db2.gz FPOZKTXANYLTPD-VIFPVBQESA-N -1 3 395.242 3.659 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000536690348 893541740 /nfs/dbraw/zinc/54/17/40/893541740.db2.gz JDUCVFDGNIAJAU-UHFFFAOYSA-N -1 3 397.452 3.627 20 0 GHADHM CN(CCc1ccc(Cl)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000498228608 893655475 /nfs/dbraw/zinc/65/54/75/893655475.db2.gz ZSXADBDSLJVOFC-UHFFFAOYSA-N -1 3 376.790 3.774 20 0 GHADHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563374851 893678603 /nfs/dbraw/zinc/67/86/03/893678603.db2.gz DBNVAPODEUSUJH-UHFFFAOYSA-N -1 3 386.455 3.875 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000563376561 893680390 /nfs/dbraw/zinc/68/03/90/893680390.db2.gz CKYHSXFDFFGHCU-CYBMUJFWSA-N -1 3 387.867 3.644 20 0 GHADHM CC[C@H](C)CCC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134978040 893761029 /nfs/dbraw/zinc/76/10/29/893761029.db2.gz FWVPYGFWYHKPLG-VIFPVBQESA-N -1 3 382.258 3.877 20 0 GHADHM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000563509593 893845867 /nfs/dbraw/zinc/84/58/67/893845867.db2.gz RAWDAXPOOMRBBB-UHFFFAOYSA-N -1 3 390.892 3.795 20 0 GHADHM CCOc1cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc(Cl)c1[O-] ZINC000459575650 893846790 /nfs/dbraw/zinc/84/67/90/893846790.db2.gz UTUYLRRAFSWCPW-UZLBHIALSA-N -1 3 379.859 3.744 20 0 GHADHM O=c1[n-]c(CN2CCc3sccc3[C@@H]2c2cccs2)nc2c1COCC2 ZINC000877894520 893878744 /nfs/dbraw/zinc/87/87/44/893878744.db2.gz POPOLNWHEPSLEJ-GOSISDBHSA-N -1 3 385.514 3.526 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H]2c2ccccc2C(F)(F)F)nc2c1COCC2 ZINC000878046842 893978580 /nfs/dbraw/zinc/97/85/80/893978580.db2.gz KQHOCJZNRWMRPR-INIZCTEOSA-N -1 3 379.382 3.611 20 0 GHADHM C[C@H]1CC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000563686392 894070342 /nfs/dbraw/zinc/07/03/42/894070342.db2.gz ASCOKUSZJCOVFG-QWRGUYRKSA-N -1 3 386.926 3.698 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](CC(=O)[N-]OCc2cccnc2)c2ccccc21 ZINC000935016482 894120543 /nfs/dbraw/zinc/12/05/43/894120543.db2.gz JACFLNHOWZXNJP-MRXNPFEDSA-N -1 3 383.448 3.558 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)c(Br)cn1 ZINC001185425062 913852095 /nfs/dbraw/zinc/85/20/95/913852095.db2.gz FTCIFZKUJOTXLL-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM CCn1nc(C)c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000815850247 894273020 /nfs/dbraw/zinc/27/30/20/894273020.db2.gz DJEUNGUZLHSAKQ-UHFFFAOYSA-N -1 3 379.445 3.841 20 0 GHADHM CN1CC[C@H](NCc2nnc(-c3ccccc3[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000878629755 894467295 /nfs/dbraw/zinc/46/72/95/894467295.db2.gz JTNLWEZYXXHUDW-QFBILLFUSA-N -1 3 384.867 3.631 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC001135582136 894818189 /nfs/dbraw/zinc/81/81/89/894818189.db2.gz RSLSCDQFIDVNIU-UHFFFAOYSA-N -1 3 395.484 3.913 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(C(C)C)ncc2Br)c1[O-] ZINC000935986589 894955565 /nfs/dbraw/zinc/95/55/65/894955565.db2.gz OFTMUSDVMVRDJW-UHFFFAOYSA-N -1 3 378.226 3.523 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000476036542 895015073 /nfs/dbraw/zinc/01/50/73/895015073.db2.gz VRFGWUPEGKIWHK-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000476036542 895015087 /nfs/dbraw/zinc/01/50/87/895015087.db2.gz VRFGWUPEGKIWHK-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM C[C@@H]1CCc2c(sc3[nH]c(CCC(=O)[N-]Oc4ccccc4)nc(=O)c23)C1 ZINC000816684241 895023722 /nfs/dbraw/zinc/02/37/22/895023722.db2.gz SSGXHDSHGLLVMC-GFCCVEGCSA-N -1 3 383.473 3.565 20 0 GHADHM O=c1[nH]c2ccccc2cc1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000879446788 895062686 /nfs/dbraw/zinc/06/26/86/895062686.db2.gz QSPPNJVAYONGGJ-UHFFFAOYSA-N -1 3 383.879 3.617 20 0 GHADHM COCc1nsc([N-]C(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)n1 ZINC000879455557 895067258 /nfs/dbraw/zinc/06/72/58/895067258.db2.gz RZZKRRYJSFXIFC-UHFFFAOYSA-N -1 3 378.454 3.816 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cccc(Br)c1F ZINC001185516233 913931148 /nfs/dbraw/zinc/93/11/48/913931148.db2.gz ZMZCCWJZJBJGLZ-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM C[C@]1(C(F)(F)F)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000879504045 895095861 /nfs/dbraw/zinc/09/58/61/895095861.db2.gz TWRARABNBIDKGE-MRXNPFEDSA-N -1 3 399.394 3.810 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[O-] ZINC000816888392 895163372 /nfs/dbraw/zinc/16/33/72/895163372.db2.gz LYXFJGCZLZHBAF-CHWSQXEVSA-N -1 3 386.423 3.600 20 0 GHADHM O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816892778 895167836 /nfs/dbraw/zinc/16/78/36/895167836.db2.gz QODXBBWFDOSDRZ-UHFFFAOYSA-N -1 3 380.322 3.616 20 0 GHADHM O=C(NC1(Cc2ccccc2Br)CC1)c1nnc2ccccc2c1[O-] ZINC000817042555 895288697 /nfs/dbraw/zinc/28/86/97/895288697.db2.gz JGTGEWVEICCRMK-UHFFFAOYSA-N -1 3 398.260 3.603 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000880286001 895618598 /nfs/dbraw/zinc/61/85/98/895618598.db2.gz QDQCFAMOYJKKMV-GVDBMIGSSA-N -1 3 391.468 3.647 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000880286001 895618606 /nfs/dbraw/zinc/61/86/06/895618606.db2.gz QDQCFAMOYJKKMV-GVDBMIGSSA-N -1 3 391.468 3.647 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCCN(Cc4ccccc4)C3)c12 ZINC000565604371 895755388 /nfs/dbraw/zinc/75/53/88/895755388.db2.gz UYMQLVAOHSLIOX-MRXNPFEDSA-N -1 3 396.516 3.505 20 0 GHADHM COc1cccc([C@H]2[C@@H](NC(=O)c3c([O-])cccc3Cl)CCN2C2CC2)c1 ZINC000778491449 895790956 /nfs/dbraw/zinc/79/09/56/895790956.db2.gz GUBUEPJGYCYCRU-PXNSSMCTSA-N -1 3 386.879 3.762 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccccc2C(C)C)c(Br)c1 ZINC000565680240 895803512 /nfs/dbraw/zinc/80/35/12/895803512.db2.gz MUEFPBMYRPJWJO-UHFFFAOYSA-N -1 3 385.283 3.777 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)CC[C@@H]2C1 ZINC000817763136 895894529 /nfs/dbraw/zinc/89/45/29/895894529.db2.gz QNXDNUJPEFERKM-OKILXGFUSA-N -1 3 394.899 3.765 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(C(F)(F)F)nc1Cl ZINC000817861297 895935758 /nfs/dbraw/zinc/93/57/58/895935758.db2.gz CWTKGYPSJJNTOV-ZCFIWIBFSA-N -1 3 387.724 3.655 20 0 GHADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(N)cc2[O-])cc1Cl ZINC000817913834 895958844 /nfs/dbraw/zinc/95/88/44/895958844.db2.gz MOSNQYXJIRFOET-LBPRGKRZSA-N -1 3 387.867 3.895 20 0 GHADHM Nc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c([O-])c1 ZINC000817959653 895978198 /nfs/dbraw/zinc/97/81/98/895978198.db2.gz FRSFRWVQZCPJFI-CYBMUJFWSA-N -1 3 381.259 3.965 20 0 GHADHM CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000289105244 914037267 /nfs/dbraw/zinc/03/72/67/914037267.db2.gz LFGOAGILZMYDCH-NRFANRHFSA-N -1 3 397.431 3.515 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(F)F ZINC000645794677 914068329 /nfs/dbraw/zinc/06/83/29/914068329.db2.gz QYYZGCSZOUJXGG-ZETCQYMHSA-N -1 3 376.650 3.672 20 0 GHADHM CSC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826226584 896507732 /nfs/dbraw/zinc/50/77/32/896507732.db2.gz BZZGMCJLHQTHFH-ZIAGYGMSSA-N -1 3 381.505 3.710 20 0 GHADHM CSC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826226584 896507744 /nfs/dbraw/zinc/50/77/44/896507744.db2.gz BZZGMCJLHQTHFH-ZIAGYGMSSA-N -1 3 381.505 3.710 20 0 GHADHM CSCCCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826228761 896566531 /nfs/dbraw/zinc/56/65/31/896566531.db2.gz ZDBWTQRHPYEYEA-UHFFFAOYSA-N -1 3 389.525 3.585 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccnc(C3CC3)c2)c1-c1nnn[n-]1 ZINC000826233964 896573983 /nfs/dbraw/zinc/57/39/83/896573983.db2.gz BNLXWVOGAKATKJ-UHFFFAOYSA-N -1 3 399.458 3.799 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccnc(C3CC3)c2)c1-c1nn[n-]n1 ZINC000826233964 896573985 /nfs/dbraw/zinc/57/39/85/896573985.db2.gz BNLXWVOGAKATKJ-UHFFFAOYSA-N -1 3 399.458 3.799 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)cn1 ZINC000567006291 896788054 /nfs/dbraw/zinc/78/80/54/896788054.db2.gz LHAYSAAPWPWWOX-UHFFFAOYSA-N -1 3 399.501 3.553 20 0 GHADHM O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)nc2C1)c1c(F)ccc([O-])c1F ZINC000819545444 896796552 /nfs/dbraw/zinc/79/65/52/896796552.db2.gz AVEHWCOFYIDHHX-GFCCVEGCSA-N -1 3 375.419 3.729 20 0 GHADHM O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1c(F)ccc([O-])c1F ZINC000819545444 896796569 /nfs/dbraw/zinc/79/65/69/896796569.db2.gz AVEHWCOFYIDHHX-GFCCVEGCSA-N -1 3 375.419 3.729 20 0 GHADHM Cc1ccc(C2CCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)CC2)cn1 ZINC000826285615 896929258 /nfs/dbraw/zinc/92/92/58/896929258.db2.gz DXRWILIXGMMYKE-UHFFFAOYSA-N -1 3 385.475 3.811 20 0 GHADHM Cc1ccc(C2CCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)CC2)cn1 ZINC000826285615 896929265 /nfs/dbraw/zinc/92/92/65/896929265.db2.gz DXRWILIXGMMYKE-UHFFFAOYSA-N -1 3 385.475 3.811 20 0 GHADHM CC(C)=C(C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000820005346 897080305 /nfs/dbraw/zinc/08/03/05/897080305.db2.gz OEDYFQOMAQKGGT-UHFFFAOYSA-N -1 3 379.439 3.891 20 0 GHADHM CC(C)=C(C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000820005346 897080314 /nfs/dbraw/zinc/08/03/14/897080314.db2.gz OEDYFQOMAQKGGT-UHFFFAOYSA-N -1 3 379.439 3.891 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000820116801 897169977 /nfs/dbraw/zinc/16/99/77/897169977.db2.gz NVSIXNOLNRZTGQ-RTBURBONSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000820116801 897169983 /nfs/dbraw/zinc/16/99/83/897169983.db2.gz NVSIXNOLNRZTGQ-RTBURBONSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)CCCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820073934 897172999 /nfs/dbraw/zinc/17/29/99/897172999.db2.gz XJFYYJUPCIQQND-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)CCCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820073934 897173011 /nfs/dbraw/zinc/17/30/11/897173011.db2.gz XJFYYJUPCIQQND-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CCN(C(=O)c1s[n-]c(=O)c1Cl)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001136361552 897447051 /nfs/dbraw/zinc/44/70/51/897447051.db2.gz DYJQGBMVZKHILM-OCCSQVGLSA-N -1 3 379.913 3.800 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000567858065 897457681 /nfs/dbraw/zinc/45/76/81/897457681.db2.gz ULNZZEKWXFGXTH-HACGYAERSA-N -1 3 399.318 3.842 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826322754 897608466 /nfs/dbraw/zinc/60/84/66/897608466.db2.gz ALBYWCNMRPCOEW-LLVKDONJSA-N -1 3 380.433 3.545 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826322754 897608472 /nfs/dbraw/zinc/60/84/72/897608472.db2.gz ALBYWCNMRPCOEW-LLVKDONJSA-N -1 3 380.433 3.545 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820989648 897656537 /nfs/dbraw/zinc/65/65/37/897656537.db2.gz YAANHUQEXWOWES-DNVCBOLYSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820989648 897656547 /nfs/dbraw/zinc/65/65/47/897656547.db2.gz YAANHUQEXWOWES-DNVCBOLYSA-N -1 3 376.464 3.914 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C/SCc1ccco1 ZINC000821100375 897744558 /nfs/dbraw/zinc/74/45/58/897744558.db2.gz ZARMMJQKHONKRY-FMIVXFBMSA-N -1 3 383.477 3.645 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C/SCc1ccco1 ZINC000821100375 897744567 /nfs/dbraw/zinc/74/45/67/897744567.db2.gz ZARMMJQKHONKRY-FMIVXFBMSA-N -1 3 383.477 3.645 20 0 GHADHM Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826337780 897785856 /nfs/dbraw/zinc/78/58/56/897785856.db2.gz AXEBRDGIQRHBNU-GFCCVEGCSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826337780 897785866 /nfs/dbraw/zinc/78/58/66/897785866.db2.gz AXEBRDGIQRHBNU-GFCCVEGCSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1nscc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826340177 897803200 /nfs/dbraw/zinc/80/32/00/897803200.db2.gz LRZQYCKOSVGGPS-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM Cc1nscc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826340177 897803210 /nfs/dbraw/zinc/80/32/10/897803210.db2.gz LRZQYCKOSVGGPS-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000568436129 897831990 /nfs/dbraw/zinc/83/19/90/897831990.db2.gz WYAPBQBHNMGUFI-UHFFFAOYSA-N -1 3 395.960 3.507 20 0 GHADHM Cc1nc([C@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)oc1-c1ccc(Cl)cc1 ZINC000289454328 914196388 /nfs/dbraw/zinc/19/63/88/914196388.db2.gz PJADGGRQVDZDRE-GXTWGEPZSA-N -1 3 387.871 3.655 20 0 GHADHM CC(=O)Nc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)ccc1C ZINC000568580999 897955446 /nfs/dbraw/zinc/95/54/46/897955446.db2.gz XOSOQMLOFCAQFZ-UHFFFAOYSA-N -1 3 375.388 3.737 20 0 GHADHM CC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)ccc1C ZINC000568580999 897955452 /nfs/dbraw/zinc/95/54/52/897955452.db2.gz XOSOQMLOFCAQFZ-UHFFFAOYSA-N -1 3 375.388 3.737 20 0 GHADHM COc1cncc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c1C ZINC001185930135 914209274 /nfs/dbraw/zinc/20/92/74/914209274.db2.gz PSOWVCFIVSMFLX-UHFFFAOYSA-N -1 3 399.491 3.813 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@H](Cc4ccncc4)C3)c2c1 ZINC000826352798 898008418 /nfs/dbraw/zinc/00/84/18/898008418.db2.gz OJPJWEGZAZTWQV-AWEZNQCLSA-N -1 3 391.866 3.532 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@H](Cc4ccncc4)C3)c2c1 ZINC000826352798 898008431 /nfs/dbraw/zinc/00/84/31/898008431.db2.gz OJPJWEGZAZTWQV-AWEZNQCLSA-N -1 3 391.866 3.532 20 0 GHADHM CN(Cc1cncs1)C(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185932207 914211156 /nfs/dbraw/zinc/21/11/56/914211156.db2.gz AUOUXOMHKRLZON-UHFFFAOYSA-N -1 3 389.521 3.578 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1noc2cnccc21 ZINC001185930529 914211403 /nfs/dbraw/zinc/21/14/03/914211403.db2.gz UPBFIROMJCCNSN-UHFFFAOYSA-N -1 3 396.447 3.638 20 0 GHADHM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000821665342 898014732 /nfs/dbraw/zinc/01/47/32/898014732.db2.gz GICRXFJXBKCESD-UHFFFAOYSA-N -1 3 375.743 3.568 20 0 GHADHM FC(F)Oc1ccccc1[C@H](NCc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000826370594 898346422 /nfs/dbraw/zinc/34/64/22/898346422.db2.gz ZYKDWSYCHONQQR-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1[C@H](NCc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000826370594 898346434 /nfs/dbraw/zinc/34/64/34/898346434.db2.gz ZYKDWSYCHONQQR-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1F)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000800054428 898540679 /nfs/dbraw/zinc/54/06/79/898540679.db2.gz WUHCXINJEZHZKV-CMDGGOBGSA-N -1 3 393.827 3.619 20 0 GHADHM C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000800068730 898553977 /nfs/dbraw/zinc/55/39/77/898553977.db2.gz GYMSOLNYHWDVQR-YLSINNKHSA-N -1 3 379.457 3.908 20 0 GHADHM Fc1cc(Nc2ncc(Cl)cn2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822753932 898610308 /nfs/dbraw/zinc/61/03/08/898610308.db2.gz RUAWDYLNJYWLJP-UHFFFAOYSA-N -1 3 397.801 3.772 20 0 GHADHM Fc1cc(Nc2ncc(Cl)cn2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822753932 898610311 /nfs/dbraw/zinc/61/03/11/898610311.db2.gz RUAWDYLNJYWLJP-UHFFFAOYSA-N -1 3 397.801 3.772 20 0 GHADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000822824176 898655508 /nfs/dbraw/zinc/65/55/08/898655508.db2.gz GQJHXOBNSXIFEZ-NSHDSACASA-N -1 3 380.370 3.695 20 0 GHADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000822824176 898655519 /nfs/dbraw/zinc/65/55/19/898655519.db2.gz GQJHXOBNSXIFEZ-NSHDSACASA-N -1 3 380.370 3.695 20 0 GHADHM CS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1Cl ZINC001136641309 898684544 /nfs/dbraw/zinc/68/45/44/898684544.db2.gz CNIYKEJKFUCSAR-UHFFFAOYSA-N -1 3 381.862 3.916 20 0 GHADHM O=C(Nc1cncc([O-])c1)c1ccc(Br)cc1OC(F)(F)F ZINC001186082889 914274825 /nfs/dbraw/zinc/27/48/25/914274825.db2.gz ZRMNVNAAHCFHHL-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1ccc(C(F)F)cc1 ZINC000569500674 898720131 /nfs/dbraw/zinc/72/01/31/898720131.db2.gz VLEDFKYDYDIGBW-UHFFFAOYSA-N -1 3 398.500 3.974 20 0 GHADHM COc1ccc(COC(=O)c2cccc3nn[n-]c32)cc1SC(F)(F)F ZINC000800209236 898745893 /nfs/dbraw/zinc/74/58/93/898745893.db2.gz VDLGZFBGVWEEMU-UHFFFAOYSA-N -1 3 383.351 3.935 20 0 GHADHM COc1ccc(COC(=O)c2cccc3[n-]nnc32)cc1SC(F)(F)F ZINC000800209236 898745902 /nfs/dbraw/zinc/74/59/02/898745902.db2.gz VDLGZFBGVWEEMU-UHFFFAOYSA-N -1 3 383.351 3.935 20 0 GHADHM COc1ccc(COC(=O)c2cccc3n[n-]nc32)cc1SC(F)(F)F ZINC000800209236 898745912 /nfs/dbraw/zinc/74/59/12/898745912.db2.gz VDLGZFBGVWEEMU-UHFFFAOYSA-N -1 3 383.351 3.935 20 0 GHADHM COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001136664095 898807131 /nfs/dbraw/zinc/80/71/31/898807131.db2.gz OLTSDZBSLCHMKJ-UHFFFAOYSA-N -1 3 378.428 3.853 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)cc1Cl ZINC001186054654 914287054 /nfs/dbraw/zinc/28/70/54/914287054.db2.gz YPUYEPOJBIMBGN-UHFFFAOYSA-N -1 3 394.667 3.801 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000133756566 898920568 /nfs/dbraw/zinc/92/05/68/898920568.db2.gz QOEHZXJHUOESFQ-UHFFFAOYSA-N -1 3 385.423 3.892 20 0 GHADHM O=c1[n-]c([C@@H]2CCCN(CC/C=C/c3ccc(Br)cc3)C2)n[nH]1 ZINC000569763463 898933801 /nfs/dbraw/zinc/93/38/01/898933801.db2.gz CZCVWXKFUASKIO-KHZFFFCDSA-N -1 3 377.286 3.556 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(Cl)cc1 ZINC000569855867 898986806 /nfs/dbraw/zinc/98/68/06/898986806.db2.gz BLQGSFAUFVWQQG-AWEZNQCLSA-N -1 3 385.869 3.766 20 0 GHADHM CC[C@H](c1ccccc1)N(CCCS(=O)(=O)c1ccc(C)cc1)CC(=O)[O-] ZINC000569869449 898996923 /nfs/dbraw/zinc/99/69/23/898996923.db2.gz WJRSYQKLKKAFQW-HXUWFJFHSA-N -1 3 389.517 3.697 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Oc2ccccc2)ccn1 ZINC000823427090 899022389 /nfs/dbraw/zinc/02/23/89/899022389.db2.gz VSBKHGLBGRPKBM-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Oc2ccccc2)ccn1 ZINC000823427090 899022402 /nfs/dbraw/zinc/02/24/02/899022402.db2.gz VSBKHGLBGRPKBM-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=[S@](Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccc1 ZINC000823614436 899132716 /nfs/dbraw/zinc/13/27/16/899132716.db2.gz POBSZYOSKJQHSY-MUUNZHRXSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@](Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000823614436 899132720 /nfs/dbraw/zinc/13/27/20/899132720.db2.gz POBSZYOSKJQHSY-MUUNZHRXSA-N -1 3 389.484 3.787 20 0 GHADHM Brc1ccc2nc(NCc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000823832557 899252735 /nfs/dbraw/zinc/25/27/35/899252735.db2.gz RDGCZSCGPXGENB-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccc2nc(NCc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000823832557 899252746 /nfs/dbraw/zinc/25/27/46/899252746.db2.gz RDGCZSCGPXGENB-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccc(N2CCC(OC3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823826874 899258842 /nfs/dbraw/zinc/25/88/42/899258842.db2.gz QBYNTWFYLLTTRS-UHFFFAOYSA-N -1 3 392.301 3.557 20 0 GHADHM Brc1ccc(N2CCC(OC3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823826874 899258851 /nfs/dbraw/zinc/25/88/51/899258851.db2.gz QBYNTWFYLLTTRS-UHFFFAOYSA-N -1 3 392.301 3.557 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2C)cc1 ZINC000570612756 899440161 /nfs/dbraw/zinc/44/01/61/899440161.db2.gz QMDAAVCPXYHQFC-UHFFFAOYSA-N -1 3 381.425 3.510 20 0 GHADHM CC(C)[C@H]1CCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000824226482 899467162 /nfs/dbraw/zinc/46/71/62/899467162.db2.gz ZILVXACUPAXFFD-MRXNPFEDSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)[C@H]1CCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000824226482 899467168 /nfs/dbraw/zinc/46/71/68/899467168.db2.gz ZILVXACUPAXFFD-MRXNPFEDSA-N -1 3 379.489 3.888 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC000570742531 899551287 /nfs/dbraw/zinc/55/12/87/899551287.db2.gz NPYYXCUUBHDZPO-UHFFFAOYSA-N -1 3 376.438 3.727 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470554 899616862 /nfs/dbraw/zinc/61/68/62/899616862.db2.gz JISJWWAMZCLONM-KUHUBIRLSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470554 899616869 /nfs/dbraw/zinc/61/68/69/899616869.db2.gz JISJWWAMZCLONM-KUHUBIRLSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@@H](NC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487358 899630515 /nfs/dbraw/zinc/63/05/15/899630515.db2.gz AROCMOUTSJBDJV-CQSZACIVSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@@H](NC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487358 899630527 /nfs/dbraw/zinc/63/05/27/899630527.db2.gz AROCMOUTSJBDJV-CQSZACIVSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@H](NC(=O)N1CCC1(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824492069 899635031 /nfs/dbraw/zinc/63/50/31/899635031.db2.gz XNERKNXOGRSDFN-AWEZNQCLSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](NC(=O)N1CCC1(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824492069 899635038 /nfs/dbraw/zinc/63/50/38/899635038.db2.gz XNERKNXOGRSDFN-AWEZNQCLSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)nc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824520667 899657047 /nfs/dbraw/zinc/65/70/47/899657047.db2.gz BCAMZXISCAVLJI-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)nc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824520667 899657054 /nfs/dbraw/zinc/65/70/54/899657054.db2.gz BCAMZXISCAVLJI-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1F ZINC000824507857 899677422 /nfs/dbraw/zinc/67/74/22/899677422.db2.gz ZECRLAHNEVBNRT-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1F ZINC000824507857 899677424 /nfs/dbraw/zinc/67/74/24/899677424.db2.gz ZECRLAHNEVBNRT-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](Nc1nccc(N(C)C)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824671061 899753673 /nfs/dbraw/zinc/75/36/73/899753673.db2.gz VWXXRVRKCPNQFU-AWEZNQCLSA-N -1 3 386.463 3.563 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000824754655 899807935 /nfs/dbraw/zinc/80/79/35/899807935.db2.gz IYFIWSNIDGXDSL-NSHDSACASA-N -1 3 383.868 3.954 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000824754655 899807941 /nfs/dbraw/zinc/80/79/41/899807941.db2.gz IYFIWSNIDGXDSL-NSHDSACASA-N -1 3 383.868 3.954 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000134286859 899896082 /nfs/dbraw/zinc/89/60/82/899896082.db2.gz OOPWMMUBJGSGDL-UHFFFAOYSA-N -1 3 376.171 3.507 20 0 GHADHM CO[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1cccc(Cl)c1 ZINC001136980612 899946465 /nfs/dbraw/zinc/94/64/65/899946465.db2.gz NRWRBGUVJUGDFB-HNNXBMFYSA-N -1 3 384.657 3.926 20 0 GHADHM C[C@H]1OCC[C@]12CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000333096334 899956329 /nfs/dbraw/zinc/95/63/29/899956329.db2.gz UIMJXRGQDOIQMB-MCFFVMPBSA-N -1 3 383.444 3.593 20 0 GHADHM CC[C@@H]1C[C@H](OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825181669 900014123 /nfs/dbraw/zinc/01/41/23/900014123.db2.gz FODBWOWQXBUKRH-HUUCEWRRSA-N -1 3 378.432 3.648 20 0 GHADHM CC[C@@H]1C[C@H](OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825181669 900014129 /nfs/dbraw/zinc/01/41/29/900014129.db2.gz FODBWOWQXBUKRH-HUUCEWRRSA-N -1 3 378.432 3.648 20 0 GHADHM O=C(CCCc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826406761 900054248 /nfs/dbraw/zinc/05/42/48/900054248.db2.gz LKPSWNAJNUGZKU-UHFFFAOYSA-N -1 3 381.383 3.908 20 0 GHADHM O=C(CCCc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826406761 900054261 /nfs/dbraw/zinc/05/42/61/900054261.db2.gz LKPSWNAJNUGZKU-UHFFFAOYSA-N -1 3 381.383 3.908 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304738 900081572 /nfs/dbraw/zinc/08/15/72/900081572.db2.gz IHXBDGRHTBKCNL-UHFFFAOYSA-N -1 3 391.418 3.645 20 0 GHADHM CCCc1nc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000825353633 900119329 /nfs/dbraw/zinc/11/93/29/900119329.db2.gz ZNDYRMQHJUWHPS-CQSZACIVSA-N -1 3 389.463 3.720 20 0 GHADHM CCCc1nc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000825353633 900119337 /nfs/dbraw/zinc/11/93/37/900119337.db2.gz ZNDYRMQHJUWHPS-CQSZACIVSA-N -1 3 389.463 3.720 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1N1CCCCC1)c1ccc2nsnc2c1 ZINC001186271511 914412564 /nfs/dbraw/zinc/41/25/64/914412564.db2.gz RINVERXCJMVDDA-UHFFFAOYSA-N -1 3 392.481 3.622 20 0 GHADHM O=C(CO[C@@H]1CCCc2ccccc21)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884487330 900137508 /nfs/dbraw/zinc/13/75/08/900137508.db2.gz RGCMZLOPSQYIAT-GOSISDBHSA-N -1 3 380.400 3.580 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000843886148 900290279 /nfs/dbraw/zinc/29/02/79/900290279.db2.gz MBMZGQMRAJJKAA-FQEVSTJZSA-N -1 3 376.453 3.571 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)sc1Br ZINC000573010504 900341455 /nfs/dbraw/zinc/34/14/55/900341455.db2.gz FELVKFXGWAUHRG-TVQRCGJNSA-N -1 3 388.308 3.620 20 0 GHADHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000573296875 900448631 /nfs/dbraw/zinc/44/86/31/900448631.db2.gz JEPYJBOUJRGRMY-LBPRGKRZSA-N -1 3 398.326 3.601 20 0 GHADHM CC(C)(C)c1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000573360859 900476209 /nfs/dbraw/zinc/47/62/09/900476209.db2.gz BVKNFSPTABLNHL-UHFFFAOYSA-N -1 3 383.492 3.681 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(F)cc(F)c1F ZINC000573471285 900525551 /nfs/dbraw/zinc/52/55/51/900525551.db2.gz BPULEKMUQOZZOU-UHFFFAOYSA-N -1 3 388.349 3.541 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(OC[C@@H]4CCCO4)CC3)c2c1 ZINC000844209312 900604256 /nfs/dbraw/zinc/60/42/56/900604256.db2.gz QOJOLNWEJMFQOK-KRWDZBQOSA-N -1 3 384.476 3.714 20 0 GHADHM O=C(O[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462327 900680762 /nfs/dbraw/zinc/68/07/62/900680762.db2.gz VGARPYCMNCAXKT-OAHLLOKOSA-N -1 3 392.444 3.553 20 0 GHADHM O=C(O[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462327 900680769 /nfs/dbraw/zinc/68/07/69/900680769.db2.gz VGARPYCMNCAXKT-OAHLLOKOSA-N -1 3 392.444 3.553 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2sccc21)c1cnc(Cl)c(Br)c1 ZINC001186365920 914477819 /nfs/dbraw/zinc/47/78/19/914477819.db2.gz KUDPGEBWPHHSOB-SNVBAGLBSA-N -1 3 393.715 3.525 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)c(C)c1 ZINC000057783270 900894944 /nfs/dbraw/zinc/89/49/44/900894944.db2.gz PNHYGNTULKVAOA-UHFFFAOYSA-N -1 3 382.489 3.698 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1nc(-c2cccnc2)no1 ZINC000574762161 900997862 /nfs/dbraw/zinc/99/78/62/900997862.db2.gz QZNYHGCCENGDNQ-SFHVURJKSA-N -1 3 398.488 3.685 20 0 GHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1C ZINC000646434155 914515353 /nfs/dbraw/zinc/51/53/53/914515353.db2.gz RGJZVOFMGSIQAF-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM c1ccc(-c2nsc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)n2)cc1 ZINC000826519963 901384355 /nfs/dbraw/zinc/38/43/55/901384355.db2.gz WCDHXCODNUDZQN-UHFFFAOYSA-N -1 3 375.461 3.554 20 0 GHADHM c1ccc(-c2nsc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)n2)cc1 ZINC000826519963 901384369 /nfs/dbraw/zinc/38/43/69/901384369.db2.gz WCDHXCODNUDZQN-UHFFFAOYSA-N -1 3 375.461 3.554 20 0 GHADHM CC(=O)Nc1cc(F)ccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001186434732 914555834 /nfs/dbraw/zinc/55/58/34/914555834.db2.gz MBBLLEVTPVCDKZ-UHFFFAOYSA-N -1 3 388.395 3.697 20 0 GHADHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000576137798 901718088 /nfs/dbraw/zinc/71/80/88/901718088.db2.gz OUIYLGUGUWJJPA-INIZCTEOSA-N -1 3 391.254 3.688 20 0 GHADHM C[C@]1(CCNC(=O)NCc2ccc([O-])c(Br)c2)C[C@@]1(F)Cl ZINC000845065931 901762100 /nfs/dbraw/zinc/76/21/00/901762100.db2.gz XQUHZQJCLQNWED-KBPBESRZSA-N -1 3 379.657 3.659 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000290233221 914587727 /nfs/dbraw/zinc/58/77/27/914587727.db2.gz ZLFDZNNQFFIGSM-CYBMUJFWSA-N -1 3 388.321 3.610 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000290233221 914587729 /nfs/dbraw/zinc/58/77/29/914587729.db2.gz ZLFDZNNQFFIGSM-CYBMUJFWSA-N -1 3 388.321 3.610 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1OC ZINC000124287681 902049284 /nfs/dbraw/zinc/04/92/84/902049284.db2.gz YHZOGOHZJAKJQL-UHFFFAOYSA-N -1 3 376.478 3.634 20 0 GHADHM O=C(N[C@H]1CCC[C@H](F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000576586095 902110128 /nfs/dbraw/zinc/11/01/28/902110128.db2.gz NAKXHTZFXOZOKM-GJZGRUSLSA-N -1 3 394.443 3.637 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576595702 902117220 /nfs/dbraw/zinc/11/72/20/902117220.db2.gz PQKYUDFARQTMEV-UHFFFAOYSA-N -1 3 396.216 3.612 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503536 902284904 /nfs/dbraw/zinc/28/49/04/902284904.db2.gz ZEMSZYRCNGJRQD-LBPRGKRZSA-N -1 3 388.880 3.830 20 0 GHADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cccs1 ZINC000577107859 902508221 /nfs/dbraw/zinc/50/82/21/902508221.db2.gz WHDNPQPJWQJTDY-CQSZACIVSA-N -1 3 377.890 3.579 20 0 GHADHM CC[C@H]1N(Cc2cc(F)c([O-])cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001144651570 902559284 /nfs/dbraw/zinc/55/92/84/902559284.db2.gz WICAKUULPHISIY-CTNGQTDRSA-N -1 3 378.463 3.816 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C[C@]1(F)Cl ZINC000845981921 902562985 /nfs/dbraw/zinc/56/29/85/902562985.db2.gz QEGLZYOKFABZAL-NWDGAFQWSA-N -1 3 388.661 3.571 20 0 GHADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577229701 902598987 /nfs/dbraw/zinc/59/89/87/902598987.db2.gz AHSKLUBULNKTPS-UHFFFAOYSA-N -1 3 394.244 3.624 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000577261997 902628360 /nfs/dbraw/zinc/62/83/60/902628360.db2.gz WGSXGYJSNWMXDU-QGZVFWFLSA-N -1 3 399.340 3.573 20 0 GHADHM CC(C)c1ccc(CCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290370574 914648836 /nfs/dbraw/zinc/64/88/36/914648836.db2.gz NEQSOJOCAXIHQJ-INIZCTEOSA-N -1 3 384.442 3.660 20 0 GHADHM CCN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000846250547 902826342 /nfs/dbraw/zinc/82/63/42/902826342.db2.gz NUKMICDPPDMFOV-SFHVURJKSA-N -1 3 380.444 3.904 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000846247477 902849905 /nfs/dbraw/zinc/84/99/05/902849905.db2.gz YDRPERUQJJVTLP-KRNZBFJNSA-N -1 3 399.462 3.748 20 0 GHADHM COc1ccc(C[C@H]2CCCCN2C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000846475007 903002909 /nfs/dbraw/zinc/00/29/09/903002909.db2.gz OVOVJWPKJHBSHP-MRXNPFEDSA-N -1 3 377.444 3.581 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCC2CCC(c3ccccc3)CC2)c([O-])c1 ZINC001144958040 903250707 /nfs/dbraw/zinc/25/07/07/903250707.db2.gz CZKOQNRTJPUWFE-UHFFFAOYSA-N -1 3 394.515 3.911 20 0 GHADHM O=C1Cc2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc2C1 ZINC001186658801 914714184 /nfs/dbraw/zinc/71/41/84/914714184.db2.gz YQWCZZOLMRKNAM-UHFFFAOYSA-N -1 3 393.464 3.734 20 0 GHADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000577995410 903424783 /nfs/dbraw/zinc/42/47/83/903424783.db2.gz WCWPKUKHUWWJQR-VQIMIIECSA-N -1 3 377.444 3.760 20 0 GHADHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1csc(COc2ccc(F)cc2)n1 ZINC000578137638 903549611 /nfs/dbraw/zinc/54/96/11/903549611.db2.gz PTZBFXHRWJIKEV-IWEFOYFVSA-N -1 3 376.453 3.546 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(C)(C)C2=CCCCC2)c1F ZINC000772976662 903575850 /nfs/dbraw/zinc/57/58/50/903575850.db2.gz NEZQWCNATLNETC-UHFFFAOYSA-N -1 3 387.448 3.556 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000578322734 903732025 /nfs/dbraw/zinc/73/20/25/903732025.db2.gz IPINDKISTKWMPE-ZMYBRWDISA-N -1 3 384.501 3.536 20 0 GHADHM CSC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000578556368 903959051 /nfs/dbraw/zinc/95/90/51/903959051.db2.gz WRQJPASTBULNFL-UHFFFAOYSA-N -1 3 378.255 3.636 20 0 GHADHM Cc1nc2cc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)ccc2n1C ZINC001148070066 903960630 /nfs/dbraw/zinc/96/06/30/903960630.db2.gz UBDFGAGLNYESIM-UHFFFAOYSA-N -1 3 388.427 3.819 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Oc4ccccc4)cn3)nc21 ZINC000578590278 903991592 /nfs/dbraw/zinc/99/15/92/903991592.db2.gz RWKKVSQWHHPTFV-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2[O-])CSC3)cc1 ZINC001148197586 903998290 /nfs/dbraw/zinc/99/82/90/903998290.db2.gz RSTMRRPBTRXATN-UHFFFAOYSA-N -1 3 397.456 3.594 20 0 GHADHM COc1cccc(C(=O)Nc2ccnn2Cc2cccc(C(F)(F)F)c2)c1[O-] ZINC001148197674 903998649 /nfs/dbraw/zinc/99/86/49/903998649.db2.gz WNFSQJYZIXXFRW-UHFFFAOYSA-N -1 3 391.349 3.917 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@@H]1c1ccccc1 ZINC001148190373 904004187 /nfs/dbraw/zinc/00/41/87/904004187.db2.gz BQJWIEGBNBEASR-PXAZEXFGSA-N -1 3 378.881 3.545 20 0 GHADHM CC1CCN(C(=O)C2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)CC1 ZINC000646691567 914777898 /nfs/dbraw/zinc/77/78/98/914777898.db2.gz HVQLMNHNRGQQIV-UHFFFAOYSA-N -1 3 398.425 3.522 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148661610 904162005 /nfs/dbraw/zinc/16/20/05/904162005.db2.gz BUNYLXWUXRCACP-CTNGQTDRSA-N -1 3 395.455 3.546 20 0 GHADHM COc1c(F)c(F)cc(C(=O)Nc2cc(Br)ccc2[O-])c1F ZINC001148785542 904190329 /nfs/dbraw/zinc/19/03/29/904190329.db2.gz FZZYZPRTDNXWGR-UHFFFAOYSA-N -1 3 376.128 3.833 20 0 GHADHM O=C(NCC/C=C/c1ccc(Br)cc1)c1cc(F)cc2n[n-]nc21 ZINC001148839099 904225064 /nfs/dbraw/zinc/22/50/64/904225064.db2.gz SYJRSRYXQNDFOP-HNQUOIGGSA-N -1 3 389.228 3.693 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001148959683 904258667 /nfs/dbraw/zinc/25/86/67/904258667.db2.gz HFMQLUYZGAUUJI-ZWKOTPCHSA-N -1 3 391.427 3.517 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001186869084 914842255 /nfs/dbraw/zinc/84/22/55/914842255.db2.gz KNMVFQSVQGLNQU-UHFFFAOYSA-N -1 3 389.379 3.526 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2cc(CC[N-]S(=O)(=O)c3ccco3)ccc21 ZINC001186875152 914846449 /nfs/dbraw/zinc/84/64/49/914846449.db2.gz QRKXEGHSQOIELM-UHFFFAOYSA-N -1 3 390.461 3.539 20 0 GHADHM O=C(NN=c1cccn[n-]1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188367082 904911947 /nfs/dbraw/zinc/91/19/47/904911947.db2.gz UFKORUVEKJEWLQ-AWEZNQCLSA-N -1 3 394.248 3.546 20 0 GHADHM O=S(=O)([N-]CCCCCOc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC001186886695 914854717 /nfs/dbraw/zinc/85/47/17/914854717.db2.gz IRDDZELPMXMRTD-UHFFFAOYSA-N -1 3 377.384 3.826 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CC1(C)C ZINC000429573151 905081386 /nfs/dbraw/zinc/08/13/86/905081386.db2.gz KYBKOVVVHDTPQO-LBPRGKRZSA-N -1 3 383.673 3.815 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171915236 905145330 /nfs/dbraw/zinc/14/53/30/905145330.db2.gz PAPDBJBRNWSAQL-SQWLQELKSA-N -1 3 382.426 3.868 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)o1 ZINC000175840000 905678697 /nfs/dbraw/zinc/67/86/97/905678697.db2.gz VCUVKCCDHSCJBE-UHFFFAOYSA-N -1 3 378.494 3.995 20 0 GHADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000176469845 905849925 /nfs/dbraw/zinc/84/99/25/905849925.db2.gz MXNQFKDUVHAFPB-UHFFFAOYSA-N -1 3 396.896 3.759 20 0 GHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)C3=Cc4ccccc4OC3)c2)n1 ZINC000190314630 905959985 /nfs/dbraw/zinc/95/99/85/905959985.db2.gz WWOTWTAAWNQQHF-UHFFFAOYSA-N -1 3 397.456 3.783 20 0 GHADHM CCCOc1c(Cl)cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000628374566 906078830 /nfs/dbraw/zinc/07/88/30/906078830.db2.gz QEUFPEJCOBIFBW-UHFFFAOYSA-N -1 3 379.888 3.966 20 0 GHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000190651721 906205988 /nfs/dbraw/zinc/20/59/88/906205988.db2.gz ZVQZMTJJYCALLP-KRWDZBQOSA-N -1 3 381.388 3.688 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000178161795 906301343 /nfs/dbraw/zinc/30/13/43/906301343.db2.gz RBTIMMYNDRGVIB-ZDUSSCGKSA-N -1 3 380.366 3.631 20 0 GHADHM CCOCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCc2ccccc21 ZINC000628951880 906383814 /nfs/dbraw/zinc/38/38/14/906383814.db2.gz BXVDTZUUKTWBMI-NRFANRHFSA-N -1 3 376.456 3.694 20 0 GHADHM O=C([N-]N1CCCCC1=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000179772229 906591970 /nfs/dbraw/zinc/59/19/70/906591970.db2.gz YCAKEZIHEAQBQM-UHFFFAOYSA-N -1 3 384.379 3.971 20 0 GHADHM Cn1ncc2c1nc(S[C@H](c1ccc(Cl)cc1)C1CCOCC1)[n-]c2=O ZINC000629220916 906601608 /nfs/dbraw/zinc/60/16/08/906601608.db2.gz QKDGSZSLKGKUHV-OAHLLOKOSA-N -1 3 390.896 3.982 20 0 GHADHM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cnc(C(=O)[O-])cn1 ZINC000629360841 906733830 /nfs/dbraw/zinc/73/38/30/906733830.db2.gz VBKGMDKYOMLYFA-UHFFFAOYSA-N -1 3 397.454 3.549 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H]2CCC[C@@H]21 ZINC000629373171 906745554 /nfs/dbraw/zinc/74/55/54/906745554.db2.gz HJLULTFCAGFFLO-OAGGEKHMSA-N -1 3 386.473 3.614 20 0 GHADHM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c([O-])cccc1O ZINC000630025981 907099947 /nfs/dbraw/zinc/09/99/47/907099947.db2.gz ACRFCDGJSRZRGK-AAEUAGOBSA-N -1 3 376.250 3.879 20 0 GHADHM Cc1nc(CCNCc2ccc(Br)c(F)c2F)sc1C(=O)[O-] ZINC000630452430 907286849 /nfs/dbraw/zinc/28/68/49/907286849.db2.gz ZXSCUPZXEJFMQS-UHFFFAOYSA-N -1 3 391.237 3.523 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](CC(=O)[O-])C1CCCC1 ZINC000630472017 907297870 /nfs/dbraw/zinc/29/78/70/907297870.db2.gz ICQDVMHEIOSJFV-OAHLLOKOSA-N -1 3 387.929 3.504 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)cc(OC(C)C)c1)OCC ZINC001175141090 907401998 /nfs/dbraw/zinc/40/19/98/907401998.db2.gz YUUPNBJVMIEZOF-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](n2cc(Nc3c(F)ccc([O-])c3F)cn2)C1 ZINC001175265599 907475988 /nfs/dbraw/zinc/47/59/88/907475988.db2.gz HYJXHGOMCFYWRU-GFCCVEGCSA-N -1 3 380.395 3.792 20 0 GHADHM CC(C)(C)OC(=O)NCCc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430028 907550373 /nfs/dbraw/zinc/55/03/73/907550373.db2.gz AWSHVPQNQGRALK-UHFFFAOYSA-N -1 3 380.452 3.678 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1N ZINC001175552071 907632993 /nfs/dbraw/zinc/63/29/93/907632993.db2.gz URTCKKDDCDYBJK-UHFFFAOYSA-N -1 3 377.466 3.725 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cnc(C)s2)s1 ZINC000632650194 908069569 /nfs/dbraw/zinc/06/95/69/908069569.db2.gz BYHMMDBKUNNIEP-ZETCQYMHSA-N -1 3 381.342 3.623 20 0 GHADHM CCC1CCC(N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000299509493 921392013 /nfs/dbraw/zinc/39/20/13/921392013.db2.gz MNCBLHOUNPODTL-UHFFFAOYSA-N -1 3 382.508 3.912 20 0 GHADHM O=C([O-])C[C@@H](NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000901609899 921395280 /nfs/dbraw/zinc/39/52/80/921395280.db2.gz SFEZSTYUFGWKMO-GOSISDBHSA-N -1 3 390.277 3.827 20 0 GHADHM O=c1nc(CN2CCC([C@H]3CCCO3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000189145303 908289035 /nfs/dbraw/zinc/28/90/35/908289035.db2.gz VREKVIAKLRDDMX-OAHLLOKOSA-N -1 3 385.489 3.636 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@@H]1c1ccccc1 ZINC001177603358 908664521 /nfs/dbraw/zinc/66/45/21/908664521.db2.gz WYUADAPAUZCOLP-ACJLOTCBSA-N -1 3 392.908 3.935 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H]1c1ccccc1 ZINC001177603360 908664534 /nfs/dbraw/zinc/66/45/34/908664534.db2.gz WYUADAPAUZCOLP-SCLBCKFNSA-N -1 3 392.908 3.935 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cscc2Br)c(CN(C)C)c1 ZINC000634656065 908789429 /nfs/dbraw/zinc/78/94/29/908789429.db2.gz VMLHRFWZZLHTTO-UHFFFAOYSA-N -1 3 389.340 3.681 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cccc(COCC(F)(F)F)c1 ZINC000192769593 908823789 /nfs/dbraw/zinc/82/37/89/908823789.db2.gz BSRUHHGIMXSMEQ-UHFFFAOYSA-N -1 3 388.336 3.877 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1C(C)C ZINC000193447606 908877065 /nfs/dbraw/zinc/87/70/65/908877065.db2.gz WXPFGIKZBQNLHC-VWLOTQADSA-N -1 3 395.546 3.806 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777488526 908907106 /nfs/dbraw/zinc/90/71/06/908907106.db2.gz ALGQCGVGDDYMHD-DEOSSOPVSA-N -1 3 391.442 3.856 20 0 GHADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000194942583 908977592 /nfs/dbraw/zinc/97/75/92/908977592.db2.gz NXGAVLRIDRNORA-GFCCVEGCSA-N -1 3 377.847 3.535 20 0 GHADHM CCOCCCN(Cc1cc(C)c(F)cc1Br)C[C@H](C)C(=O)[O-] ZINC000901680912 921465403 /nfs/dbraw/zinc/46/54/03/921465403.db2.gz HCEKYCGYJGWWLJ-ZDUSSCGKSA-N -1 3 390.293 3.846 20 0 GHADHM CCOC(=O)c1n[nH]c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1C ZINC001179100916 909370922 /nfs/dbraw/zinc/37/09/22/909370922.db2.gz PVOLTXVBGWYUSE-UHFFFAOYSA-N -1 3 393.443 3.638 20 0 GHADHM Cc1c[nH]c(C2(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])CCOCC2)n1 ZINC001179142911 909385847 /nfs/dbraw/zinc/38/58/47/909385847.db2.gz FLOLWKUFSRPPIR-UHFFFAOYSA-N -1 3 393.443 3.652 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319214 909535610 /nfs/dbraw/zinc/53/56/10/909535610.db2.gz NCHABOAZYXBSMR-UHFFFAOYSA-N -1 3 375.856 3.820 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1csc(Cc2ccccc2F)n1 ZINC000636319538 909540118 /nfs/dbraw/zinc/54/01/18/909540118.db2.gz QXHIDUUXTUWKCI-UHFFFAOYSA-N -1 3 398.463 3.566 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320290 909541013 /nfs/dbraw/zinc/54/10/13/909541013.db2.gz AINXHERXESEGKZ-GOSISDBHSA-N -1 3 389.883 3.823 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000637376530 909797745 /nfs/dbraw/zinc/79/77/45/909797745.db2.gz PHHXFFQJNBDIOA-ZWKOPEQDSA-N -1 3 390.192 3.699 20 0 GHADHM CC[C@H](c1ccccc1)N1CCN(Cc2ncc(Br)cc2[O-])CC1 ZINC001179878347 909799420 /nfs/dbraw/zinc/79/94/20/909799420.db2.gz OUCWYJQJSHYOMX-GOSISDBHSA-N -1 3 390.325 3.819 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954835 909863844 /nfs/dbraw/zinc/86/38/44/909863844.db2.gz NONIJIYWVIWFJZ-GOSISDBHSA-N -1 3 385.464 3.833 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954835 909863856 /nfs/dbraw/zinc/86/38/56/909863856.db2.gz NONIJIYWVIWFJZ-GOSISDBHSA-N -1 3 385.464 3.833 20 0 GHADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268759984 910002094 /nfs/dbraw/zinc/00/20/94/910002094.db2.gz WDMGKSOFHXKXKD-LJQANCHMSA-N -1 3 392.455 3.623 20 0 GHADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268759978 910002473 /nfs/dbraw/zinc/00/24/73/910002473.db2.gz WDMGKSOFHXKXKD-IBGZPJMESA-N -1 3 392.455 3.623 20 0 GHADHM CCO[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2Br)C12CCCC2 ZINC000901781212 921558238 /nfs/dbraw/zinc/55/82/38/921558238.db2.gz BKBNUYPMIDWNMK-JKSUJKDBSA-N -1 3 382.298 3.975 20 0 GHADHM CC(C)c1nnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000269378537 910241361 /nfs/dbraw/zinc/24/13/61/910241361.db2.gz RLUAFZPCMPWUDP-UHFFFAOYSA-N -1 3 380.901 3.876 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785007 921562883 /nfs/dbraw/zinc/56/28/83/921562883.db2.gz AZOZDGXCJYUTSM-GOSISDBHSA-N -1 3 380.366 3.596 20 0 GHADHM COc1ccc(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1F ZINC001180832678 910369394 /nfs/dbraw/zinc/36/93/94/910369394.db2.gz MQVSXUQIYXNWSR-UHFFFAOYSA-N -1 3 386.452 3.734 20 0 GHADHM COc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000269895745 910378302 /nfs/dbraw/zinc/37/83/02/910378302.db2.gz CIIREQRBHCHNNI-ADLMAVQZSA-N -1 3 379.840 3.569 20 0 GHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000270370514 910537277 /nfs/dbraw/zinc/53/72/77/910537277.db2.gz UAOXMBSQULBUFK-AWEZNQCLSA-N -1 3 379.489 3.720 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(OC(F)F)c3cccnc23)c2ccccc21 ZINC000773905745 910619013 /nfs/dbraw/zinc/61/90/13/910619013.db2.gz MSKBDEXPEAEHHN-GXDHUFHOSA-N -1 3 381.338 3.559 20 0 GHADHM C[C@]1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCC[C@H]1C(=O)[O-] ZINC000901821538 921594906 /nfs/dbraw/zinc/59/49/06/921594906.db2.gz OUUKYBPIALVCRN-GUYCJALGSA-N -1 3 383.279 3.697 20 0 GHADHM O=c1nc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000640101273 910828201 /nfs/dbraw/zinc/82/82/01/910828201.db2.gz ZSHSWTMSOWUVQW-SNPRPXQTSA-N -1 3 385.489 3.782 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCCC3(C)C)c2)c1 ZINC000271265451 910839325 /nfs/dbraw/zinc/83/93/25/910839325.db2.gz LKEIETHVYQMCHC-UHFFFAOYSA-N -1 3 398.459 3.676 20 0 GHADHM COc1sc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1Br ZINC000901829360 921612014 /nfs/dbraw/zinc/61/20/14/921612014.db2.gz OJUBVQYICJRMAP-KRWDZBQOSA-N -1 3 396.306 3.748 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@@H](Cc2ccccc2)C1 ZINC000640292684 910954854 /nfs/dbraw/zinc/95/48/54/910954854.db2.gz NXODCXVOAZZLKO-ZDUSSCGKSA-N -1 3 386.805 3.617 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2Br)o1 ZINC000640309231 910963103 /nfs/dbraw/zinc/96/31/03/910963103.db2.gz HOKUQSAGCMUMRZ-CYBMUJFWSA-N -1 3 381.274 3.655 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CC=C(c3ccccc3Cl)CC2)[n-]1 ZINC000640312042 910963555 /nfs/dbraw/zinc/96/35/55/910963555.db2.gz JNUVBQCEXKPRMV-UHFFFAOYSA-N -1 3 395.688 3.579 20 0 GHADHM CN(C)c1ccc(CCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001182003976 911122155 /nfs/dbraw/zinc/12/21/55/911122155.db2.gz JTOTWHXFVHJXGV-UHFFFAOYSA-N -1 3 384.476 3.985 20 0 GHADHM Cc1ccccc1-n1cc(CN[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901847045 921635640 /nfs/dbraw/zinc/63/56/40/921635640.db2.gz KJXXPQNQJYPKEU-GHTZIAJQSA-N -1 3 390.487 3.629 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1 ZINC000274282015 911289689 /nfs/dbraw/zinc/28/96/89/911289689.db2.gz YWYNKCIZVYTVIC-GOSISDBHSA-N -1 3 375.472 3.677 20 0 GHADHM COc1cc2ccccc2cc1CN1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000901871200 921665221 /nfs/dbraw/zinc/66/52/21/921665221.db2.gz NUZOFNPEDNPFAR-UHFFFAOYSA-N -1 3 379.460 3.889 20 0 GHADHM C[C@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001182406344 911590538 /nfs/dbraw/zinc/59/05/38/911590538.db2.gz JXOJNBDRJPJXLS-CYBMUJFWSA-N -1 3 399.443 3.894 20 0 GHADHM Cc1nc([C@@H](C)N2CCC(c3n[n-]c(=O)o3)CC2)oc1-c1ccc(Cl)cc1 ZINC000284248562 911802081 /nfs/dbraw/zinc/80/20/81/911802081.db2.gz LGDPPDORHXETFA-GFCCVEGCSA-N -1 3 388.855 3.920 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cnc(-c3ccco3)s2)n[n-]1 ZINC001182653437 911953036 /nfs/dbraw/zinc/95/30/36/911953036.db2.gz IXEDGDVNINTAMD-CYBMUJFWSA-N -1 3 389.481 3.575 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cnc(-c3ccco3)s2)[n-]1 ZINC001182653437 911953049 /nfs/dbraw/zinc/95/30/49/911953049.db2.gz IXEDGDVNINTAMD-CYBMUJFWSA-N -1 3 389.481 3.575 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cnc(-c3ccco3)s2)n1 ZINC001182653437 911953053 /nfs/dbraw/zinc/95/30/53/911953053.db2.gz IXEDGDVNINTAMD-CYBMUJFWSA-N -1 3 389.481 3.575 20 0 GHADHM C[C@H]1Sc2ccc(C(=O)Nc3ccc(Br)cc3[O-])cc2NC1=O ZINC000642323094 911979695 /nfs/dbraw/zinc/97/96/95/911979695.db2.gz NEBMLQINCJLFQZ-MRVPVSSYSA-N -1 3 393.262 3.840 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C3CCCCCC3)[nH]n1)c2=O ZINC001182798141 912029002 /nfs/dbraw/zinc/02/90/02/912029002.db2.gz GDENMDBNHANWMR-UHFFFAOYSA-N -1 3 380.448 3.950 20 0 GHADHM CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001182817758 912064918 /nfs/dbraw/zinc/06/49/18/912064918.db2.gz IWLJKRFBSGQTFK-UHFFFAOYSA-N -1 3 387.274 3.739 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1C(=O)N1CCCC1 ZINC001187131637 915046176 /nfs/dbraw/zinc/04/61/76/915046176.db2.gz IPNWAIHXDLGDRA-UHFFFAOYSA-N -1 3 389.249 3.643 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000647452507 915270218 /nfs/dbraw/zinc/27/02/18/915270218.db2.gz UZDINVVUANGECS-UHFFFAOYSA-N -1 3 393.337 3.981 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC001187466005 915277568 /nfs/dbraw/zinc/27/75/68/915277568.db2.gz IKYKOKXALGIHLY-UHFFFAOYSA-N -1 3 377.462 3.838 20 0 GHADHM CN(C)c1nc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(=O)[n-]1 ZINC001187493829 915313865 /nfs/dbraw/zinc/31/38/65/915313865.db2.gz OJQVJQIKYHZIBU-UHFFFAOYSA-N -1 3 375.738 3.564 20 0 GHADHM CCOCc1ccc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC000647895018 915429468 /nfs/dbraw/zinc/42/94/68/915429468.db2.gz DOKYSIXLYMMKNL-UHFFFAOYSA-N -1 3 388.514 3.825 20 0 GHADHM Cc1ccoc1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000292124458 915526611 /nfs/dbraw/zinc/52/66/11/915526611.db2.gz QSNGXOJZAHCRFF-UHFFFAOYSA-N -1 3 391.855 3.507 20 0 GHADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN(CCC(=O)[O-])C1CC1 ZINC000901972274 921780453 /nfs/dbraw/zinc/78/04/53/921780453.db2.gz SUXWBWQAOVOKTR-UHFFFAOYSA-N -1 3 392.297 3.691 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccc(Cl)cc3)cc2F)nn1 ZINC001187984047 915664893 /nfs/dbraw/zinc/66/48/93/915664893.db2.gz QONKHSHNWDZVJY-UHFFFAOYSA-N -1 3 391.855 3.723 20 0 GHADHM O=C(Cc1nc(NC(=O)c2ccccc2-c2cccnc2)n[n-]1)c1ccccc1 ZINC001188022008 915712843 /nfs/dbraw/zinc/71/28/43/915712843.db2.gz JNUKMZPSNNCZDP-UHFFFAOYSA-N -1 3 383.411 3.544 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc2ccccc2c1)c1ccc(F)cc1F ZINC001188124089 915767243 /nfs/dbraw/zinc/76/72/43/915767243.db2.gz BXNWVNHEYGEGMP-UHFFFAOYSA-N -1 3 377.412 3.865 20 0 GHADHM COc1c(Cl)cc(Cl)cc1C(=O)[N-]c1nnc(SC)nc1SC ZINC001188131012 915771553 /nfs/dbraw/zinc/77/15/53/915771553.db2.gz OBKOFCTTYAXBPO-UHFFFAOYSA-N -1 3 391.305 3.883 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)nc1 ZINC001188197212 915807093 /nfs/dbraw/zinc/80/70/93/915807093.db2.gz PCMGNIBZLVBHFR-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc(Br)c1OC ZINC000902006500 921808714 /nfs/dbraw/zinc/80/87/14/921808714.db2.gz GBLDVTQJUFLVTK-XEZPLFJOSA-N -1 3 398.297 3.542 20 0 GHADHM O=C(c1cc([O-])cc(Cl)c1)N1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001275686708 916002602 /nfs/dbraw/zinc/00/26/02/916002602.db2.gz NGMGMKQEWDMUDM-FQEVSTJZSA-N -1 3 376.884 3.585 20 0 GHADHM CCc1nc(=N)n(C(=O)c2c(C)cccc2[O-])c(N)c1-c1ccc(Cl)cc1 ZINC001188638255 916096200 /nfs/dbraw/zinc/09/62/00/916096200.db2.gz JYERJKUFKXHTIA-UHFFFAOYSA-N -1 3 382.851 3.530 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC([C@@H](O)C(F)(F)F)CC3)c2c1 ZINC000649393953 916136784 /nfs/dbraw/zinc/13/67/84/916136784.db2.gz IJPUHXQIFOVCQB-QGZVFWFLSA-N -1 3 382.382 3.689 20 0 GHADHM O=S(=O)([N-]c1cccnc1Cl)c1cc(F)c(Br)c(F)c1 ZINC001189006230 916335683 /nfs/dbraw/zinc/33/56/83/916335683.db2.gz FMZSWXQQTWTVKH-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC(C)(C)C(=O)Nc1ncccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001189209166 916463477 /nfs/dbraw/zinc/46/34/77/916463477.db2.gz JWTSMRDUBADYTG-UHFFFAOYSA-N -1 3 392.253 3.787 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(F)(F)F)c1 ZINC001189248960 916495860 /nfs/dbraw/zinc/49/58/60/916495860.db2.gz ZVEGEIFCFXSJJW-HNNXBMFYSA-N -1 3 375.343 3.610 20 0 GHADHM CCCCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001189314711 916546537 /nfs/dbraw/zinc/54/65/37/916546537.db2.gz SOLDHAMLLHWGEB-UHFFFAOYSA-N -1 3 397.475 3.561 20 0 GHADHM CCCOC(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)cc1 ZINC000775252207 916621145 /nfs/dbraw/zinc/62/11/45/916621145.db2.gz FGZINZYDQXADEE-UHFFFAOYSA-N -1 3 387.457 3.819 20 0 GHADHM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1 ZINC001189453788 916659369 /nfs/dbraw/zinc/65/93/69/916659369.db2.gz CLRVLSZGIPZOHF-UHFFFAOYSA-N -1 3 394.443 3.579 20 0 GHADHM COC(=O)CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC001189489407 916672776 /nfs/dbraw/zinc/67/27/76/916672776.db2.gz OXYKYCVLOVTUEM-UHFFFAOYSA-N -1 3 394.320 3.785 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(O)ccc2Br)c1 ZINC001189606208 916772239 /nfs/dbraw/zinc/77/22/39/916772239.db2.gz ZULLUBBHUQZTRK-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc3c2OCCC3)c1 ZINC000650172323 916774968 /nfs/dbraw/zinc/77/49/68/916774968.db2.gz SJLYAMWUAUGVJW-UHFFFAOYSA-N -1 3 398.278 3.584 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCCO3)c1 ZINC000650199335 916792155 /nfs/dbraw/zinc/79/21/55/916792155.db2.gz HBADXNOAYZCMMC-UHFFFAOYSA-N -1 3 395.864 3.895 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc(Cl)c1OC ZINC000650217436 916809538 /nfs/dbraw/zinc/80/95/38/916809538.db2.gz GBQVOQGBIDOEDP-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM COc1ccccc1-c1nnc(SCc2noc(-c3ccccc3[O-])n2)n1C ZINC000361613603 916817808 /nfs/dbraw/zinc/81/78/08/916817808.db2.gz OHXANMWBWJRYHW-UHFFFAOYSA-N -1 3 395.444 3.539 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc(F)c(OCC2CC2)c(F)c1 ZINC001189696400 916836976 /nfs/dbraw/zinc/83/69/76/916836976.db2.gz BBUWHLFOPZEQDM-UHFFFAOYSA-N -1 3 389.370 3.974 20 0 GHADHM COc1cccc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1[O-] ZINC000775296663 916847743 /nfs/dbraw/zinc/84/77/43/916847743.db2.gz IGFUAXBZNQUEEM-UHFFFAOYSA-N -1 3 384.432 3.951 20 0 GHADHM O=C(Nc1cnc(-c2ccc(O)cc2)nc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189756613 916882644 /nfs/dbraw/zinc/88/26/44/916882644.db2.gz XZUXMKXQYZJJHC-UHFFFAOYSA-N -1 3 391.305 3.706 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)N(C1CC1)C2)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766048 916901504 /nfs/dbraw/zinc/90/15/04/916901504.db2.gz INJCHQYSDCDGOP-UHFFFAOYSA-N -1 3 392.333 3.661 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cc(F)ncc2F)CC1 ZINC000294737452 916955050 /nfs/dbraw/zinc/95/50/50/916955050.db2.gz HFOPMAIQQASQLN-UHFFFAOYSA-N -1 3 381.810 3.570 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(SCc3cccs3)s2)nnn1C(C)C ZINC000294834149 917004167 /nfs/dbraw/zinc/00/41/67/917004167.db2.gz LWDHSIKDKHNGJE-UHFFFAOYSA-N -1 3 380.524 3.625 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3csc(Br)n3)no2)c1 ZINC001189978118 917025820 /nfs/dbraw/zinc/02/58/20/917025820.db2.gz UYHBQMHYCMHUJY-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000650504623 917041880 /nfs/dbraw/zinc/04/18/80/917041880.db2.gz VDVDWSCICBZDRG-IBGZPJMESA-N -1 3 388.552 3.589 20 0 GHADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cccc(Sc3ccccc3)c2)n1 ZINC001190237456 917204320 /nfs/dbraw/zinc/20/43/20/917204320.db2.gz IBDKYUGTNBEIAS-UHFFFAOYSA-N -1 3 389.502 3.743 20 0 GHADHM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(CO)cc1Cl ZINC001190266637 917220231 /nfs/dbraw/zinc/22/02/31/917220231.db2.gz RFZHKXKEHAAMCO-UHFFFAOYSA-N -1 3 395.786 3.661 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCCc2ncccc2C)c(-c2ccccc2)s1 ZINC001190283515 917243315 /nfs/dbraw/zinc/24/33/15/917243315.db2.gz AEFOILMIBYTQAW-UHFFFAOYSA-N -1 3 387.530 3.733 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190325886 917257617 /nfs/dbraw/zinc/25/76/17/917257617.db2.gz QLZZSPFGAUGDEK-UHFFFAOYSA-N -1 3 376.375 3.707 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2cc(F)ccc21)c1cc(C(F)(F)F)ccc1F ZINC001190338731 917269022 /nfs/dbraw/zinc/26/90/22/917269022.db2.gz OWSBXICQXRPAEP-CYBMUJFWSA-N -1 3 393.333 3.786 20 0 GHADHM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC001190420906 917327355 /nfs/dbraw/zinc/32/73/55/917327355.db2.gz QPKGEXJSDAOMGJ-CHWSQXEVSA-N -1 3 381.519 3.793 20 0 GHADHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1c([O-])ccc(Br)c1C)C2 ZINC000650946260 917352730 /nfs/dbraw/zinc/35/27/30/917352730.db2.gz CRWMSQOOLCVRLC-LBPRGKRZSA-N -1 3 392.249 3.662 20 0 GHADHM CO[C@@](C)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001190494412 917390168 /nfs/dbraw/zinc/39/01/68/917390168.db2.gz GLSYCKWDFAIQEA-KRWDZBQOSA-N -1 3 396.921 3.790 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c(=O)[n-]1 ZINC000295671392 917412584 /nfs/dbraw/zinc/41/25/84/917412584.db2.gz UIOODLZAKPCZFL-OAHLLOKOSA-N -1 3 379.382 3.814 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC1CC1)c1ccccc1 ZINC001190601653 917441027 /nfs/dbraw/zinc/44/10/27/917441027.db2.gz BCCFHRCDCLUQMF-KRWDZBQOSA-N -1 3 393.892 3.946 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)c(F)c1 ZINC001190646933 917475133 /nfs/dbraw/zinc/47/51/33/917475133.db2.gz UZLKGFLUOLYPFE-UHFFFAOYSA-N -1 3 379.453 3.524 20 0 GHADHM O=c1cc(CN2CCC3(CCC(O)CC3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000295798305 917507120 /nfs/dbraw/zinc/50/71/20/917507120.db2.gz VTYFCMVOCXANQN-UHFFFAOYSA-N -1 3 377.868 3.669 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)CCC1 ZINC001309440366 917672438 /nfs/dbraw/zinc/67/24/38/917672438.db2.gz AAGGQKPDCMPPGM-UHFFFAOYSA-N -1 3 396.734 3.506 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000652459713 917903932 /nfs/dbraw/zinc/90/39/32/917903932.db2.gz HVOYMBNHTZZFLA-HNNXBMFYSA-N -1 3 384.259 3.563 20 0 GHADHM COC(=O)c1cc2cccc([N-]C(=O)c3cc(Br)no3)c2s1 ZINC001191337021 917912463 /nfs/dbraw/zinc/91/24/63/917912463.db2.gz FIBJEFIRUZOANS-UHFFFAOYSA-N -1 3 381.207 3.691 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CC1CCCC1)c1cccnc1Cl ZINC001191480965 918014800 /nfs/dbraw/zinc/01/48/00/918014800.db2.gz RGSHJPAUWQRICE-UHFFFAOYSA-N -1 3 393.896 3.919 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000775470949 918109773 /nfs/dbraw/zinc/10/97/73/918109773.db2.gz YYHAKADRFMROOA-GOSISDBHSA-N -1 3 385.468 3.641 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000775470949 918109779 /nfs/dbraw/zinc/10/97/79/918109779.db2.gz YYHAKADRFMROOA-GOSISDBHSA-N -1 3 385.468 3.641 20 0 GHADHM COc1ccc(C(C)C)cc1S(=O)(=O)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001191717270 918140442 /nfs/dbraw/zinc/14/04/42/918140442.db2.gz VXBKSPLCFCQICM-UHFFFAOYSA-N -1 3 399.896 3.665 20 0 GHADHM Cc1nn(-c2ccccc2Cl)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000653504376 918272836 /nfs/dbraw/zinc/27/28/36/918272836.db2.gz RKARVAXGTYLWPR-GFCCVEGCSA-N -1 3 375.778 3.577 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOc4cc(OC)ccc43)nc2)n1 ZINC000363557622 918415933 /nfs/dbraw/zinc/41/59/33/918415933.db2.gz NAXAAAQBDWDQAW-QGZVFWFLSA-N -1 3 378.432 3.751 20 0 GHADHM O=C(CC12CC3CC(CC(C3)C1)C2)N[N-]C(=O)c1cccnc1SC(F)F ZINC000017185957 919489463 /nfs/dbraw/zinc/48/94/63/919489463.db2.gz AIPRGQBDGHNMOI-UHFFFAOYSA-N -1 3 395.475 3.764 20 0 GHADHM O=C([O-])[C@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCCC1 ZINC000900049297 919771502 /nfs/dbraw/zinc/77/15/02/919771502.db2.gz NJCDTFLUIMHMBU-MRXNPFEDSA-N -1 3 394.878 3.821 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800262134 919801408 /nfs/dbraw/zinc/80/14/08/919801408.db2.gz GMRKTZYXGHPSBF-LBPRGKRZSA-N -1 3 384.411 3.713 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800262134 919801416 /nfs/dbraw/zinc/80/14/16/919801416.db2.gz GMRKTZYXGHPSBF-LBPRGKRZSA-N -1 3 384.411 3.713 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800262134 919801426 /nfs/dbraw/zinc/80/14/26/919801426.db2.gz GMRKTZYXGHPSBF-LBPRGKRZSA-N -1 3 384.411 3.713 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000800261447 919801901 /nfs/dbraw/zinc/80/19/01/919801901.db2.gz SWCFQYWKVANKNB-QMMMGPOBSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000800261447 919801918 /nfs/dbraw/zinc/80/19/18/919801918.db2.gz SWCFQYWKVANKNB-QMMMGPOBSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000800261447 919801927 /nfs/dbraw/zinc/80/19/27/919801927.db2.gz SWCFQYWKVANKNB-QMMMGPOBSA-N -1 3 387.758 3.718 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000900526714 920370900 /nfs/dbraw/zinc/37/09/00/920370900.db2.gz JYHNBYBQYQVUNJ-OAHLLOKOSA-N -1 3 394.258 3.580 20 0 GHADHM CCOc1cc(CNc2cccc(C[S@@](=O)CCOC)c2)cc(Cl)c1[O-] ZINC000298461153 920561812 /nfs/dbraw/zinc/56/18/12/920561812.db2.gz OILOSHZBKUGMMA-SANMLTNESA-N -1 3 397.924 3.952 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C(C)(C)C)nn3C)c2)n1 ZINC000298851660 920994081 /nfs/dbraw/zinc/99/40/81/920994081.db2.gz LJTQTNACAPSYHH-UHFFFAOYSA-N -1 3 379.464 3.695 20 0 GHADHM O=c1[n-]c(S[C@H]([C@@H]2CCOC2)C(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000901361023 921035140 /nfs/dbraw/zinc/03/51/40/921035140.db2.gz MMCJDGSORYDIOJ-ZWNOBZJWSA-N -1 3 396.394 3.581 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000902124019 921897291 /nfs/dbraw/zinc/89/72/91/921897291.db2.gz ATORZCJYSHEFFD-UHFFFAOYSA-N -1 3 375.852 3.847 20 0 GHADHM O=C([O-])C(F)(F)[C@@H]1CC[C@H](NCc2csc(CCc3ccccc3)n2)C1 ZINC000902364484 922126407 /nfs/dbraw/zinc/12/64/07/922126407.db2.gz PYOINGJQAYMUEJ-CABCVRRESA-N -1 3 380.460 3.907 20 0 GHADHM Cc1cc(Br)c(OCC(=O)[O-])c(CN2CCCC3(CC3)CC2)c1 ZINC000902404452 922167340 /nfs/dbraw/zinc/16/73/40/922167340.db2.gz GMXGKDZCATXZLQ-UHFFFAOYSA-N -1 3 382.298 3.987 20 0 GHADHM Cn1nc2c(c1CN1CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC1)CCCC2 ZINC000902572214 922313874 /nfs/dbraw/zinc/31/38/74/922313874.db2.gz KGDOTSNOKADKMA-UHFFFAOYSA-N -1 3 392.503 3.858 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cc(OC)c1[O-] ZINC000368762894 922852576 /nfs/dbraw/zinc/85/25/76/922852576.db2.gz QJEJHGLFQILQTE-CQSZACIVSA-N -1 3 389.452 3.673 20 0 GHADHM O=c1cc(N2CC[C@@H](N[C@H](c3ccc4ccccc4c3)C(F)(F)F)C2)nc[n-]1 ZINC000903400326 922991592 /nfs/dbraw/zinc/99/15/92/922991592.db2.gz SSMBPCQHSLECJB-VQIMIIECSA-N -1 3 388.393 3.807 20 0 GHADHM C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000903611469 923126586 /nfs/dbraw/zinc/12/65/86/923126586.db2.gz NZZRLGVKMDULAQ-PJFSTRORSA-N -1 3 375.856 3.562 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000903921340 923400841 /nfs/dbraw/zinc/40/08/41/923400841.db2.gz JKCBYTGRGLMADE-UHFFFAOYSA-N -1 3 385.304 3.813 20 0 GHADHM O=C([O-])c1coc(CN2CCC[C@H]2COc2ccc(Br)cc2)c1 ZINC000903934655 923409444 /nfs/dbraw/zinc/40/94/44/923409444.db2.gz QTDOJFWGQYAOSY-AWEZNQCLSA-N -1 3 380.238 3.784 20 0 GHADHM O=C([O-])[C@@H](CNCc1ncc(Br)cc1Cl)Cc1ccccc1 ZINC000903992294 923454667 /nfs/dbraw/zinc/45/46/67/923454667.db2.gz ZKZJSSHTVDUVBG-GFCCVEGCSA-N -1 3 383.673 3.531 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369873160 923699605 /nfs/dbraw/zinc/69/96/05/923699605.db2.gz REKWOKJKDBPNQB-SNVBAGLBSA-N -1 3 390.802 3.795 20 0 GHADHM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000370695791 924262248 /nfs/dbraw/zinc/26/22/48/924262248.db2.gz CYBVJTDWGWNLJK-JOCHJYFZSA-N -1 3 392.499 3.755 20 0 GHADHM C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CCC1 ZINC000677390780 924348181 /nfs/dbraw/zinc/34/81/81/924348181.db2.gz CZMLAQLNERLBBA-LBPRGKRZSA-N -1 3 379.888 3.594 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c1[O-] ZINC000678312005 924719329 /nfs/dbraw/zinc/71/93/29/924719329.db2.gz FVZFXMURLMRKBC-UHFFFAOYSA-N -1 3 390.505 3.592 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3c[nH]c4ccc(F)cc34)nc2)n1 ZINC000409548336 924755001 /nfs/dbraw/zinc/75/50/01/924755001.db2.gz JFBKDJRGEXUPBW-UHFFFAOYSA-N -1 3 391.450 3.894 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000372224967 925258244 /nfs/dbraw/zinc/25/82/44/925258244.db2.gz ZGRZUWBQPIRPQM-AWEZNQCLSA-N -1 3 382.847 3.865 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(F)cc1C(F)(F)F ZINC000410166753 925365510 /nfs/dbraw/zinc/36/55/10/925365510.db2.gz HTWRGKKTWRNXOY-GHMZBOCLSA-N -1 3 391.333 3.673 20 0 GHADHM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)CCO2 ZINC000681279860 925781539 /nfs/dbraw/zinc/78/15/39/925781539.db2.gz SXUOXBONWZYPEW-OAHLLOKOSA-N -1 3 385.844 3.680 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2scnc2C(F)(F)F)nc1C(C)C ZINC000411061447 926031964 /nfs/dbraw/zinc/03/19/64/926031964.db2.gz ZWGMFDAMSQDTLB-UHFFFAOYSA-N -1 3 379.385 3.781 20 0 GHADHM COc1cccc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2nccn2C)c1 ZINC000682447207 926118541 /nfs/dbraw/zinc/11/85/41/926118541.db2.gz VONXVOAPSOCZMX-NRFANRHFSA-N -1 3 397.450 3.502 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000373440660 926128405 /nfs/dbraw/zinc/12/84/05/926128405.db2.gz DQJNBWAPDVYMDW-UHFFFAOYSA-N -1 3 392.430 3.673 20 0 GHADHM COc1ccc(COCCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000683049194 926337957 /nfs/dbraw/zinc/33/79/57/926337957.db2.gz PALPQZCKHGQRIQ-UHFFFAOYSA-N -1 3 392.415 3.772 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000390602097 926396172 /nfs/dbraw/zinc/39/61/72/926396172.db2.gz JWUDVDWDSLHCSC-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@@]2(F)C1=O ZINC001276165031 926406231 /nfs/dbraw/zinc/40/62/31/926406231.db2.gz MOYLPBSXMPUPRA-GPNNCHTKSA-N -1 3 393.261 3.572 20 0 GHADHM CCOC(=O)[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)CC ZINC000411479365 926443888 /nfs/dbraw/zinc/44/38/88/926443888.db2.gz LXGPYQAIXZKRRS-BZNIZROVSA-N -1 3 389.477 3.724 20 0 GHADHM Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000373941270 926579055 /nfs/dbraw/zinc/57/90/55/926579055.db2.gz GFQNICNVJMKHDT-UHFFFAOYSA-N -1 3 390.487 3.837 20 0 GHADHM CC[C@H](C)N1CCC2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)C1=O ZINC001276198782 927155731 /nfs/dbraw/zinc/15/57/31/927155731.db2.gz RTSUSYCEIMUGCM-AWEZNQCLSA-N -1 3 378.900 3.651 20 0 GHADHM Cc1nc([C@H]2CCCCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)no1 ZINC000412260014 927269003 /nfs/dbraw/zinc/26/90/03/927269003.db2.gz UQTJGQSXWNXNEV-OAHLLOKOSA-N -1 3 386.839 3.630 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)N=c2[nH][n-]cc2Br)cc1 ZINC000412338387 927350421 /nfs/dbraw/zinc/35/04/21/927350421.db2.gz AFOIGKPAXPFSQS-UHFFFAOYSA-N -1 3 380.286 3.545 20 0 GHADHM COC(=O)c1sc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1C(C)C ZINC000412389615 927399587 /nfs/dbraw/zinc/39/95/87/927399587.db2.gz GEHVQXAEGAROOB-UHFFFAOYSA-N -1 3 380.441 3.859 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCC1CCCCC1 ZINC000751109561 928033445 /nfs/dbraw/zinc/03/34/45/928033445.db2.gz VHGXRJNNIHBXHN-LBPRGKRZSA-N -1 3 388.917 3.549 20 0 GHADHM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000751375203 928161576 /nfs/dbraw/zinc/16/15/76/928161576.db2.gz YOVZZZCGOZBLJU-UHFFFAOYSA-N -1 3 392.415 3.566 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000751394872 928169883 /nfs/dbraw/zinc/16/98/83/928169883.db2.gz YQZWHOCFDAMTHL-RFAUZJTJSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2cccs2)c1Cl ZINC000751438017 928192606 /nfs/dbraw/zinc/19/26/06/928192606.db2.gz URQFYXLPDQZREI-LLVKDONJSA-N -1 3 380.318 3.765 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](O)c1c(F)cccc1Cl ZINC000751468723 928206479 /nfs/dbraw/zinc/20/64/79/928206479.db2.gz SXVIFFUWKAOWPS-UHLUBPPHSA-N -1 3 384.281 3.594 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1F ZINC000752398930 928811977 /nfs/dbraw/zinc/81/19/77/928811977.db2.gz BVFHOBJZJWHGJI-QGZVFWFLSA-N -1 3 398.887 3.514 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)NCc3cnc(C)[n-]c3=O)c2)c1 ZINC000544250531 928979778 /nfs/dbraw/zinc/97/97/78/928979778.db2.gz YZDDRCQXIXPTFV-UHFFFAOYSA-N -1 3 378.432 3.700 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000752996265 929144883 /nfs/dbraw/zinc/14/48/83/929144883.db2.gz HHVLFCOBOFILDS-FVMDXXJSSA-N -1 3 387.238 3.759 20 0 GHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1sc(N2CCCC2)nc1Cl ZINC000753115398 929213030 /nfs/dbraw/zinc/21/30/30/929213030.db2.gz QSDMYUFHMSCSEN-UHFFFAOYSA-N -1 3 380.905 3.746 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000544508055 929241323 /nfs/dbraw/zinc/24/13/23/929241323.db2.gz FFBVJLQOJJKARP-IYJAJMOOSA-N -1 3 397.475 3.982 20 0 GHADHM COCc1c2ccccc2oc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467712364 929328131 /nfs/dbraw/zinc/32/81/31/929328131.db2.gz CHIAFFJAKWBQRN-UHFFFAOYSA-N -1 3 383.354 3.922 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467718019 929333203 /nfs/dbraw/zinc/33/32/03/929333203.db2.gz KCINPSYLUBAISS-UHFFFAOYSA-N -1 3 380.354 3.993 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(C)n1-c1nccs1 ZINC000467716162 929333234 /nfs/dbraw/zinc/33/32/34/929333234.db2.gz QFMOCJLOOOLSBL-UHFFFAOYSA-N -1 3 399.426 3.893 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1Cl ZINC000544667299 929408025 /nfs/dbraw/zinc/40/80/25/929408025.db2.gz ZWAOKGDULRKMDY-GFCCVEGCSA-N -1 3 386.823 3.554 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469421623 929871397 /nfs/dbraw/zinc/87/13/97/929871397.db2.gz FCDNAQNSJTUYIQ-CQSZACIVSA-N -1 3 393.459 3.629 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C[C@@H]3CC=CCC3)cs2)c1 ZINC000546210122 929960564 /nfs/dbraw/zinc/96/05/64/929960564.db2.gz OADLNMSDNVJBRZ-OAHLLOKOSA-N -1 3 399.516 3.767 20 0 GHADHM C[C@@H](CCCOCc1ccccc1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759330475 930343243 /nfs/dbraw/zinc/34/32/43/930343243.db2.gz ANRAMDRFLCDDGN-INIZCTEOSA-N -1 3 391.489 3.600 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000759398784 930358072 /nfs/dbraw/zinc/35/80/72/930358072.db2.gz FDDJTHMGAZFTRO-LBPRGKRZSA-N -1 3 381.407 3.754 20 0 GHADHM O=C(OCc1noc(-c2ccccc2)n1)c1cccc(Br)c1[O-] ZINC000759521705 930393291 /nfs/dbraw/zinc/39/32/91/930393291.db2.gz ZCTOGAZWJMPYFP-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)n1 ZINC000759606202 930423141 /nfs/dbraw/zinc/42/31/41/930423141.db2.gz VDWKMZVUPWGYGI-LBPRGKRZSA-N -1 3 384.509 3.614 20 0 GHADHM CN(Cc1cccc(NC(=O)c2cccc3n[n-]nc32)c1)C(=O)OC(C)(C)C ZINC000780981073 930661287 /nfs/dbraw/zinc/66/12/87/930661287.db2.gz DYONKMFMFMUCLB-UHFFFAOYSA-N -1 3 381.436 3.577 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000780995370 930665085 /nfs/dbraw/zinc/66/50/85/930665085.db2.gz NDOZLDKTDWJUFT-DEOSSOPVSA-N -1 3 389.451 3.574 20 0 GHADHM COc1ccc(F)cc1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000781119441 930706673 /nfs/dbraw/zinc/70/66/73/930706673.db2.gz SNBPYZMZRPFONM-UHFFFAOYSA-N -1 3 386.192 3.526 20 0 GHADHM COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc(OC)c1[O-] ZINC000547268209 930864628 /nfs/dbraw/zinc/86/46/28/930864628.db2.gz LFJDOZQRNQKUOJ-UHFFFAOYSA-N -1 3 385.460 3.600 20 0 GHADHM CCc1cccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c1[O-] ZINC000547367383 930958252 /nfs/dbraw/zinc/95/82/52/930958252.db2.gz FRKDAHTVDIPARZ-UHFFFAOYSA-N -1 3 391.427 3.619 20 0 GHADHM O=C(COc1c(Cl)cccc1Cl)OCc1noc(-c2ccccc2[O-])n1 ZINC000782074592 931081904 /nfs/dbraw/zinc/08/19/04/931081904.db2.gz PVVAQBNULDXDBQ-UHFFFAOYSA-N -1 3 395.198 3.871 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1csc(-c2cccs2)n1 ZINC000782559185 931269519 /nfs/dbraw/zinc/26/95/19/931269519.db2.gz USBWERNLQAUMBE-UHFFFAOYSA-N -1 3 385.426 3.984 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)OCc1noc(-c2ccccc2[O-])n1 ZINC000782588548 931278121 /nfs/dbraw/zinc/27/81/21/931278121.db2.gz KWTSSRUQWAVTNF-UHFFFAOYSA-N -1 3 395.198 3.871 20 0 GHADHM O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000782866338 931355302 /nfs/dbraw/zinc/35/53/02/931355302.db2.gz BICDXFVDZRKVDR-LJQANCHMSA-N -1 3 381.472 3.593 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000782996253 931381437 /nfs/dbraw/zinc/38/14/37/931381437.db2.gz DSSXIXGRPBBCMU-GHYICZDASA-N -1 3 399.443 3.783 20 0 GHADHM COc1ccc(-c2noc([C@H](C)OC(=O)c3cc(-c4ccc(C)o4)[n-]n3)n2)cc1 ZINC000783028623 931389733 /nfs/dbraw/zinc/38/97/33/931389733.db2.gz OHGKLLQGKJCMSW-LBPRGKRZSA-N -1 3 394.387 3.955 20 0 GHADHM COc1ccc(-c2noc([C@H](C)OC(=O)c3cc(-c4ccc(C)o4)n[n-]3)n2)cc1 ZINC000783028623 931389741 /nfs/dbraw/zinc/38/97/41/931389741.db2.gz OHGKLLQGKJCMSW-LBPRGKRZSA-N -1 3 394.387 3.955 20 0 GHADHM COc1ccc(N[C@H](COCc2ccccc2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000783284724 931481993 /nfs/dbraw/zinc/48/19/93/931481993.db2.gz OCJZDLJPMAXYQD-LJQANCHMSA-N -1 3 392.521 3.720 20 0 GHADHM COc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1NC(=O)OC(C)(C)C ZINC000783560160 931581693 /nfs/dbraw/zinc/58/16/93/931581693.db2.gz QTNGALWHOBBQNI-UHFFFAOYSA-N -1 3 383.408 3.566 20 0 GHADHM C[C@@H](CO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC000783662789 931611705 /nfs/dbraw/zinc/61/17/05/931611705.db2.gz KYCLCCCDZBYDQQ-STQMWFEESA-N -1 3 398.887 3.510 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1csc(Cl)c1 ZINC000697566228 931674885 /nfs/dbraw/zinc/67/48/85/931674885.db2.gz ZGFFUQPGGCFVCC-JTQLQIEISA-N -1 3 398.916 3.773 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3nc(C)cnc3C)c2)cc1 ZINC000558611925 932108495 /nfs/dbraw/zinc/10/84/95/932108495.db2.gz VBIWJLIUQDMNRP-UHFFFAOYSA-N -1 3 398.488 3.515 20 0 GHADHM COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1[O-] ZINC000558620389 932114632 /nfs/dbraw/zinc/11/46/32/932114632.db2.gz QTKCKHZSVJVEBL-UHFFFAOYSA-N -1 3 381.350 3.847 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC3(NC(=O)OC(C)(C)C)CCC3)n[n-]2)o1 ZINC000797289480 932240873 /nfs/dbraw/zinc/24/08/73/932240873.db2.gz IULCGMXOSRHCTA-UHFFFAOYSA-N -1 3 375.425 3.582 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC3(NC(=O)OC(C)(C)C)CCC3)[n-]n2)o1 ZINC000797289480 932240877 /nfs/dbraw/zinc/24/08/77/932240877.db2.gz IULCGMXOSRHCTA-UHFFFAOYSA-N -1 3 375.425 3.582 20 0 GHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)c2O1 ZINC000797431840 932282514 /nfs/dbraw/zinc/28/25/14/932282514.db2.gz XVSCQGYWPHBGCY-UHFFFAOYSA-N -1 3 393.848 3.525 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccnc1Cl ZINC000797839444 932425870 /nfs/dbraw/zinc/42/58/70/932425870.db2.gz GBMVIDDBJAAGJP-AULYBMBSSA-N -1 3 390.814 3.978 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cccnc1Cl ZINC000797841519 932426989 /nfs/dbraw/zinc/42/69/89/932426989.db2.gz NBIHDVYHTFRTGI-AULYBMBSSA-N -1 3 390.814 3.978 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1Cl ZINC000559142359 932460069 /nfs/dbraw/zinc/46/00/69/932460069.db2.gz FCDVDXCFKCEIGT-KMUNFCNLSA-N -1 3 376.305 3.619 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCc3sccc32)ccc1F ZINC000798046684 932507667 /nfs/dbraw/zinc/50/76/67/932507667.db2.gz ARIWJZQFBBTEPY-UHFFFAOYSA-N -1 3 396.509 3.557 20 0 GHADHM O=C([N-]CC1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1)C(F)(F)F ZINC000798373534 932619284 /nfs/dbraw/zinc/61/92/84/932619284.db2.gz FSILAANAKGLYQC-UHFFFAOYSA-N -1 3 397.825 3.566 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CC(C)(C)OC3(C)C)cc2)cc(=O)[n-]1 ZINC000927614769 932621538 /nfs/dbraw/zinc/62/15/38/932621538.db2.gz FFKCVFBEZBIWNN-OAHLLOKOSA-N -1 3 384.480 3.873 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)nnn1C(C)C ZINC000560251852 933158940 /nfs/dbraw/zinc/15/89/40/933158940.db2.gz PWYSPXSMIUKCMJ-UHFFFAOYSA-N -1 3 379.251 3.539 20 0 GHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001115863585 933225045 /nfs/dbraw/zinc/22/50/45/933225045.db2.gz XLDJBWLERDABRF-UHFFFAOYSA-N -1 3 391.489 3.645 20 0 GHADHM O=C(Nc1ccc(SC2CCCC2)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929592477 933529110 /nfs/dbraw/zinc/52/91/10/933529110.db2.gz PVLYBZKGTQXBPG-OAHLLOKOSA-N -1 3 399.520 3.617 20 0 GHADHM CCCN(Cc1ccc(OCCOC)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC001116437478 933557482 /nfs/dbraw/zinc/55/74/82/933557482.db2.gz OBVNQAKRTHWORG-UHFFFAOYSA-N -1 3 387.505 3.834 20 0 GHADHM C[C@H](c1ccc(Br)cc1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000561131985 933898408 /nfs/dbraw/zinc/89/84/08/933898408.db2.gz KCYCDOLPSWTZKL-ZQJOYCHOSA-N -1 3 381.295 3.832 20 0 GHADHM Cc1ccnc(-c2cccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2)n1 ZINC000561150589 933919988 /nfs/dbraw/zinc/91/99/88/933919988.db2.gz RPQMMFFYUOOGNI-UHFFFAOYSA-N -1 3 388.402 3.993 20 0 GHADHM O=C([N-]OC1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000777964044 934410461 /nfs/dbraw/zinc/41/04/61/934410461.db2.gz GBHBQNUFYUYEDR-AWEZNQCLSA-N -1 3 396.434 3.521 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@H](C)C3)n2)cc1 ZINC000561746727 934415802 /nfs/dbraw/zinc/41/58/02/934415802.db2.gz MRQOHVMKWORNSF-SQGPQFPESA-N -1 3 396.535 3.504 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCc3c(F)cccc3Cl)o2)CC1 ZINC001120371357 934460079 /nfs/dbraw/zinc/46/00/79/934460079.db2.gz WTORJACHXIZCNR-UHFFFAOYSA-N -1 3 380.847 3.705 20 0 GHADHM Cn1nc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C1CC1 ZINC001120876578 934529372 /nfs/dbraw/zinc/52/93/72/934529372.db2.gz GPMYZWJDUYYRFN-UHFFFAOYSA-N -1 3 382.489 3.710 20 0 GHADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1c[n-]c2ccccc2c1=O ZINC001121002923 934550344 /nfs/dbraw/zinc/55/03/44/934550344.db2.gz ZHLKBODGPVSYKA-OAHLLOKOSA-N -1 3 378.428 3.728 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cnc(-c2ccccn2)s1 ZINC001121020774 934553223 /nfs/dbraw/zinc/55/32/23/934553223.db2.gz VJNGXYAIIBIWSS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC[C@@H]1CCOC1 ZINC000828723940 934561101 /nfs/dbraw/zinc/56/11/01/934561101.db2.gz HIFPKVMOKUKJSO-DYESRHJHSA-N -1 3 397.471 3.613 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000562249423 934786804 /nfs/dbraw/zinc/78/68/04/934786804.db2.gz VMBYBQNMKVWMIT-OAHLLOKOSA-N -1 3 397.500 3.807 20 0 GHADHM O=S(=O)([N-][C@H]1CCCOc2c(F)cccc21)c1cnc(Cl)c(Cl)c1 ZINC000778067604 934823927 /nfs/dbraw/zinc/82/39/27/934823927.db2.gz XVCJBGOGWNBNBA-ZDUSSCGKSA-N -1 3 391.251 3.720 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000932137146 934831729 /nfs/dbraw/zinc/83/17/29/934831729.db2.gz MLTGCTSNAFESFR-HNNXBMFYSA-N -1 3 382.410 3.901 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC001123291800 935145836 /nfs/dbraw/zinc/14/58/36/935145836.db2.gz LZEYHSCCLDGBAS-FUHWJXTLSA-N -1 3 395.463 3.549 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1 ZINC001123691322 935253787 /nfs/dbraw/zinc/25/37/87/935253787.db2.gz OJPDZHNGRYOMQW-UHFFFAOYSA-N -1 3 379.460 3.542 20 0 GHADHM COC(=O)c1c2c(sc1NC(=O)c1c[n-]c3ccccc3c1=O)CCCC2 ZINC001124560004 935414192 /nfs/dbraw/zinc/41/41/92/935414192.db2.gz AEAOFPFSENONJB-UHFFFAOYSA-N -1 3 382.441 3.507 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(P(C)(C)=O)cc3)c2)n1 ZINC001125082231 935521821 /nfs/dbraw/zinc/52/18/21/935521821.db2.gz IZBDTLDJCGLRCE-UHFFFAOYSA-N -1 3 395.399 3.912 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)cnn1C1CCOCC1 ZINC000830028749 935892035 /nfs/dbraw/zinc/89/20/35/935892035.db2.gz RGHSWQWNCNOEAM-JXMROGBWSA-N -1 3 381.885 3.609 20 0 GHADHM COc1ccccc1[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000830139768 935905490 /nfs/dbraw/zinc/90/54/90/935905490.db2.gz WJAVAIVRXIEZKN-INIZCTEOSA-N -1 3 376.456 3.947 20 0 GHADHM Brc1cnc(N2CCCC[C@@H]2CC2CCC2)cc1-c1nnn[n-]1 ZINC001573279966 946652597 /nfs/dbraw/zinc/65/25/97/946652597.db2.gz OXQNPNDNAZKPGF-GFCCVEGCSA-N -1 3 377.290 3.573 20 0 GHADHM Brc1cnc(N2CCCC[C@@H]2CC2CCC2)cc1-c1nn[n-]n1 ZINC001573279966 946652603 /nfs/dbraw/zinc/65/26/03/946652603.db2.gz OXQNPNDNAZKPGF-GFCCVEGCSA-N -1 3 377.290 3.573 20 0 GHADHM Brc1cnc(N2CCCC[C@H]2CC2CCC2)cc1-c1nnn[n-]1 ZINC001573279968 946652930 /nfs/dbraw/zinc/65/29/30/946652930.db2.gz OXQNPNDNAZKPGF-LBPRGKRZSA-N -1 3 377.290 3.573 20 0 GHADHM Brc1cnc(N2CCCC[C@H]2CC2CCC2)cc1-c1nn[n-]n1 ZINC001573279968 946652936 /nfs/dbraw/zinc/65/29/36/946652936.db2.gz OXQNPNDNAZKPGF-LBPRGKRZSA-N -1 3 377.290 3.573 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001573550539 946864519 /nfs/dbraw/zinc/86/45/19/946864519.db2.gz AZMGAKVVKNOMOQ-DGCLKSJQSA-N -1 3 395.385 3.767 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001573550539 946864531 /nfs/dbraw/zinc/86/45/31/946864531.db2.gz AZMGAKVVKNOMOQ-DGCLKSJQSA-N -1 3 395.385 3.767 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C(C)=Cc1ccc(Cl)cc1 ZINC001573552481 946878440 /nfs/dbraw/zinc/87/84/40/946878440.db2.gz PQNVRPBVWGTPOK-LUAWRHEFSA-N -1 3 381.823 3.765 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C(C)=Cc1ccc(Cl)cc1 ZINC001573552481 946878454 /nfs/dbraw/zinc/87/84/54/946878454.db2.gz PQNVRPBVWGTPOK-LUAWRHEFSA-N -1 3 381.823 3.765 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCc1ccc(Cl)cc1 ZINC001573552561 946879266 /nfs/dbraw/zinc/87/92/66/946879266.db2.gz QXYKJKWCXISIEK-UHFFFAOYSA-N -1 3 383.839 3.684 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCc1ccc(Cl)cc1 ZINC001573552561 946879281 /nfs/dbraw/zinc/87/92/81/946879281.db2.gz QXYKJKWCXISIEK-UHFFFAOYSA-N -1 3 383.839 3.684 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(OC(F)(F)F)cc1 ZINC001573555122 946904535 /nfs/dbraw/zinc/90/45/35/946904535.db2.gz BPIUQRAXBWFNRW-UHFFFAOYSA-N -1 3 378.310 3.547 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(OC(F)(F)F)cc1 ZINC001573555122 946904540 /nfs/dbraw/zinc/90/45/40/946904540.db2.gz BPIUQRAXBWFNRW-UHFFFAOYSA-N -1 3 378.310 3.547 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001573365876 947735715 /nfs/dbraw/zinc/73/57/15/947735715.db2.gz NWPVQPWWCCEBLY-BENRWUELSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001573365876 947735724 /nfs/dbraw/zinc/73/57/24/947735724.db2.gz NWPVQPWWCCEBLY-BENRWUELSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)c1ccccc1Cl ZINC001573366395 947739253 /nfs/dbraw/zinc/73/92/53/947739253.db2.gz WFBGQVUFFYNGDQ-OUKQBFOZSA-N -1 3 379.851 3.903 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)c1ccccc1Cl ZINC001573366395 947739260 /nfs/dbraw/zinc/73/92/60/947739260.db2.gz WFBGQVUFFYNGDQ-OUKQBFOZSA-N -1 3 379.851 3.903 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001574083016 948872315 /nfs/dbraw/zinc/87/23/15/948872315.db2.gz NUAFDFSEYCLUPT-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001574083016 948872334 /nfs/dbraw/zinc/87/23/34/948872334.db2.gz NUAFDFSEYCLUPT-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C2CC2)cc1 ZINC001574083625 948885141 /nfs/dbraw/zinc/88/51/41/948885141.db2.gz WAJAEITVIPFWRG-LJQANCHMSA-N -1 3 377.448 3.786 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C2CC2)cc1 ZINC001574083625 948885158 /nfs/dbraw/zinc/88/51/58/948885158.db2.gz WAJAEITVIPFWRG-LJQANCHMSA-N -1 3 377.448 3.786 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001574092060 949038062 /nfs/dbraw/zinc/03/80/62/949038062.db2.gz RBPYQEYWTWKACV-UGKGYDQZSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001574092060 949038078 /nfs/dbraw/zinc/03/80/78/949038078.db2.gz RBPYQEYWTWKACV-UGKGYDQZSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001574092175 949051480 /nfs/dbraw/zinc/05/14/80/949051480.db2.gz QMFJPZQJTTZQQS-LSBZLQRGSA-N -1 3 382.512 3.758 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001574092175 949051499 /nfs/dbraw/zinc/05/14/99/949051499.db2.gz QMFJPZQJTTZQQS-LSBZLQRGSA-N -1 3 382.512 3.758 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001574092174 949051770 /nfs/dbraw/zinc/05/17/70/949051770.db2.gz QMFJPZQJTTZQQS-LJHODMEESA-N -1 3 382.512 3.758 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001574092174 949051791 /nfs/dbraw/zinc/05/17/91/949051791.db2.gz QMFJPZQJTTZQQS-LJHODMEESA-N -1 3 382.512 3.758 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001575512487 949136933 /nfs/dbraw/zinc/13/69/33/949136933.db2.gz NNJOUIJFVQROFB-HNNXBMFYSA-N -1 3 386.459 3.705 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001575512487 949136943 /nfs/dbraw/zinc/13/69/43/949136943.db2.gz NNJOUIJFVQROFB-HNNXBMFYSA-N -1 3 386.459 3.705 20 0 GHADHM CC(C)[C@@H]1CCc2nc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001574099874 949188015 /nfs/dbraw/zinc/18/80/15/949188015.db2.gz PEAVXKBDCWIZHK-OAHLLOKOSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)[C@@H]1CCc2nc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001574099874 949188024 /nfs/dbraw/zinc/18/80/24/949188024.db2.gz PEAVXKBDCWIZHK-OAHLLOKOSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccc(Cl)cc1F ZINC001573788556 949199916 /nfs/dbraw/zinc/19/99/16/949199916.db2.gz MKEWOTOQXCPSPN-UHFFFAOYSA-N -1 3 395.772 3.854 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccc(Cl)cc1F ZINC001573788556 949199926 /nfs/dbraw/zinc/19/99/26/949199926.db2.gz MKEWOTOQXCPSPN-UHFFFAOYSA-N -1 3 395.772 3.854 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001576158586 949501295 /nfs/dbraw/zinc/50/12/95/949501295.db2.gz UIVNJNCGKXLUBO-WFASDCNBSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001576158586 949501309 /nfs/dbraw/zinc/50/13/09/949501309.db2.gz UIVNJNCGKXLUBO-WFASDCNBSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001576159515 949519795 /nfs/dbraw/zinc/51/97/95/949519795.db2.gz XWVPKGDMNIMJQW-GUYCJALGSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001576159515 949519809 /nfs/dbraw/zinc/51/98/09/949519809.db2.gz XWVPKGDMNIMJQW-GUYCJALGSA-N -1 3 379.489 3.936 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001573825661 949887800 /nfs/dbraw/zinc/88/78/00/949887800.db2.gz ANKCOAKBQDQDDH-ZIAGYGMSSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001573825661 949887815 /nfs/dbraw/zinc/88/78/15/949887815.db2.gz ANKCOAKBQDQDDH-ZIAGYGMSSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC001573828317 949935404 /nfs/dbraw/zinc/93/54/04/949935404.db2.gz QLLPSNJBAOYMSR-AWEZNQCLSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC001573828317 949935427 /nfs/dbraw/zinc/93/54/27/949935427.db2.gz QLLPSNJBAOYMSR-AWEZNQCLSA-N -1 3 396.520 3.655 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)c2-c2nnn[n-]2)C1 ZINC001576214400 950670394 /nfs/dbraw/zinc/67/03/94/950670394.db2.gz AAKMMZMYOZICGO-KMUNFCNLSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)c2-c2nn[n-]n2)C1 ZINC001576214400 950670402 /nfs/dbraw/zinc/67/04/02/950670402.db2.gz AAKMMZMYOZICGO-KMUNFCNLSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)c2-c2nnn[n-]2)C1 ZINC001576214403 950671280 /nfs/dbraw/zinc/67/12/80/950671280.db2.gz AAKMMZMYOZICGO-VCTAVGKDSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)c2-c2nn[n-]n2)C1 ZINC001576214403 950671291 /nfs/dbraw/zinc/67/12/91/950671291.db2.gz AAKMMZMYOZICGO-VCTAVGKDSA-N -1 3 397.479 3.934 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573881786 950755051 /nfs/dbraw/zinc/75/50/51/950755051.db2.gz HOCANEMMCAWIBL-UHFFFAOYSA-N -1 3 377.492 3.758 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573881786 950755059 /nfs/dbraw/zinc/75/50/59/950755059.db2.gz HOCANEMMCAWIBL-UHFFFAOYSA-N -1 3 377.492 3.758 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccc(F)c3cccnc23)n1 ZINC001573882084 950767206 /nfs/dbraw/zinc/76/72/06/950767206.db2.gz RHHSOZSIYZBGSX-UHFFFAOYSA-N -1 3 378.411 3.826 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccc(F)c3cccnc23)n1 ZINC001573882084 950767221 /nfs/dbraw/zinc/76/72/21/950767221.db2.gz RHHSOZSIYZBGSX-UHFFFAOYSA-N -1 3 378.411 3.826 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001573888706 950876939 /nfs/dbraw/zinc/87/69/39/950876939.db2.gz ZBFSIQRCLXXRJI-HOTGVXAUSA-N -1 3 382.443 3.695 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001573888706 950876951 /nfs/dbraw/zinc/87/69/51/950876951.db2.gz ZBFSIQRCLXXRJI-HOTGVXAUSA-N -1 3 382.443 3.695 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575184869 952425450 /nfs/dbraw/zinc/42/54/50/952425450.db2.gz FVYUELJJOUUAIS-CYBMUJFWSA-N -1 3 397.479 3.713 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575184869 952425454 /nfs/dbraw/zinc/42/54/54/952425454.db2.gz FVYUELJJOUUAIS-CYBMUJFWSA-N -1 3 397.479 3.713 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575187697 952443637 /nfs/dbraw/zinc/44/36/37/952443637.db2.gz DZHRKONMKPYWKF-MGPUTAFESA-N -1 3 395.482 3.568 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575187697 952443640 /nfs/dbraw/zinc/44/36/40/952443640.db2.gz DZHRKONMKPYWKF-MGPUTAFESA-N -1 3 395.482 3.568 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC(c4ccc(O)cc4)CC3)o2)C1 ZINC001594918964 954789098 /nfs/dbraw/zinc/78/90/98/954789098.db2.gz XPRDGMDUKAKARR-SFHVURJKSA-N -1 3 384.476 3.666 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCCO[C@H](c4ccccc4)C3)o2)CC1 ZINC001594939792 954873790 /nfs/dbraw/zinc/87/37/90/954873790.db2.gz MAKTWTQNZLZYPJ-FQEVSTJZSA-N -1 3 384.476 3.544 20 0 GHADHM CC1CCN([C@@H](CNC(=O)C2(C(=O)[O-])CCCCC2)c2cccs2)CC1 ZINC001573735491 960430231 /nfs/dbraw/zinc/43/02/31/960430231.db2.gz DWISBZXKMGKCGK-INIZCTEOSA-N -1 3 378.538 3.672 20 0 GHADHM O=C([O-])[C@]1(NC(=O)c2cccc3ccsc32)CCCN(Cc2ccccc2)C1 ZINC001347534889 962393215 /nfs/dbraw/zinc/39/32/15/962393215.db2.gz LAYBAZNNMRPYPT-QFIPXVFZSA-N -1 3 394.496 3.751 20 0 GHADHM COc1ccc(-c2nc(CN[C@@H](Cc3ccccc3)C(=O)[O-])cs2)c(OC)c1 ZINC001574194389 962860678 /nfs/dbraw/zinc/86/06/78/962860678.db2.gz LBAGRAYOBHTOGZ-SFHVURJKSA-N -1 3 398.484 3.613 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H]3[C@@H](c4ccccc4)C3(F)F)o2)C1 ZINC001605997713 973072080 /nfs/dbraw/zinc/07/20/80/973072080.db2.gz FPTNAYODHGDRTL-SZVBFZGTSA-N -1 3 390.430 3.719 20 0 GHADHM O=C(Nc1ccc(C2(O)COC2)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001625784130 1014157344 /nfs/dbraw/zinc/15/73/44/1014157344.db2.gz LDYXYNDZWNLVES-UHFFFAOYSA-N -1 3 389.451 3.648 20 0 GHADHM COc1ccc(CN(Cc2oncc2C(=O)[O-])[C@H]2CCCC[C@H]2C)cc1OC ZINC000568064631 974657769 /nfs/dbraw/zinc/65/77/69/974657769.db2.gz KSOCMDFUIRECHD-PBHICJAKSA-N -1 3 388.464 3.971 20 0 GHADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001625864525 1014252525 /nfs/dbraw/zinc/25/25/25/1014252525.db2.gz XGJCQENWZLBMPJ-ADLMAVQZSA-N -1 3 377.282 3.989 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(C)C)cc1 ZINC001591949662 976508622 /nfs/dbraw/zinc/50/86/22/976508622.db2.gz YSKMAUAAHICLFY-IBGZPJMESA-N -1 3 389.540 3.698 20 0 GHADHM CCC(CC)(NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595101064 979404456 /nfs/dbraw/zinc/40/44/56/979404456.db2.gz KGHMAONGDHBLFK-UHFFFAOYSA-N -1 3 375.856 3.677 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1)C(=O)[O-] ZINC001592860129 979688620 /nfs/dbraw/zinc/68/86/20/979688620.db2.gz FEZDZXDRDDSSAG-HNNXBMFYSA-N -1 3 389.521 3.607 20 0 GHADHM CC[C@@](NCc1cnc(-c2ccccc2OC)nc1)(C(=O)[O-])c1ccccc1 ZINC001595305695 980450103 /nfs/dbraw/zinc/45/01/03/980450103.db2.gz UETWIQCPFGYUDN-QFIPXVFZSA-N -1 3 377.444 3.632 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001595836918 982745592 /nfs/dbraw/zinc/74/55/92/982745592.db2.gz QHWZPBHGTDTMCV-GIFJBRJJSA-N -1 3 390.867 3.844 20 0 GHADHM CCCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595889145 982921406 /nfs/dbraw/zinc/92/14/06/982921406.db2.gz ZPDFEHCBCAVSSF-XVJNWHFHSA-N -1 3 378.469 3.599 20 0 GHADHM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596151386 983512189 /nfs/dbraw/zinc/51/21/89/983512189.db2.gz WGLJZHBXBKXSAZ-GOSISDBHSA-N -1 3 397.475 3.522 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001596254101 983660640 /nfs/dbraw/zinc/66/06/40/983660640.db2.gz APPRKMCTIDZHPD-CQSZACIVSA-N -1 3 398.381 3.810 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccsc1 ZINC001596254644 983664500 /nfs/dbraw/zinc/66/45/00/983664500.db2.gz WDYWRLLADCWVLQ-SFHVURJKSA-N -1 3 389.521 3.970 20 0 GHADHM CCN1CC[C@H](NCc2cc(C(=O)[O-])ccc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596410309 984000179 /nfs/dbraw/zinc/00/01/79/984000179.db2.gz JYHGNXQNEZHELA-PKOBYXMFSA-N -1 3 396.384 3.866 20 0 GHADHM CC(C)(C)c1ccc(Cn2nccc2NC(=O)NCc2ncccc2[O-])cc1 ZINC000468000148 1015122496 /nfs/dbraw/zinc/12/24/96/1015122496.db2.gz KXSDCYIRYYXXQD-UHFFFAOYSA-N -1 3 379.464 3.651 20 0 GHADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Br)c2ccccc2c1 ZINC001594526223 986048581 /nfs/dbraw/zinc/04/85/81/986048581.db2.gz SXYJGNPOLNKYLF-CQSZACIVSA-N -1 3 391.309 3.583 20 0 GHADHM C[C@@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594537634 986160899 /nfs/dbraw/zinc/16/08/99/986160899.db2.gz WVPIRFWDWLMNGZ-UKRRQHHQSA-N -1 3 391.512 3.573 20 0 GHADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589359727 986359328 /nfs/dbraw/zinc/35/93/28/986359328.db2.gz XLZBFLXQVSBHKM-CDMIOBSGSA-N -1 3 398.528 3.528 20 0 GHADHM CCOc1ccc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1OC ZINC001597101900 986723405 /nfs/dbraw/zinc/72/34/05/986723405.db2.gz IDIFVXCDPGQNLL-UHFFFAOYSA-N -1 3 384.476 3.869 20 0 GHADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001597236057 987201062 /nfs/dbraw/zinc/20/10/62/987201062.db2.gz QLGVXSSIXMXWTG-SJCJKPOMSA-N -1 3 381.881 3.610 20 0 GHADHM CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)C1 ZINC001589806511 988231145 /nfs/dbraw/zinc/23/11/45/988231145.db2.gz QEXJMTJZLPCZKS-AVRDEDQJSA-N -1 3 386.467 3.684 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C)CCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001589855563 988399787 /nfs/dbraw/zinc/39/97/87/988399787.db2.gz VPMAFMMBVVGPQX-KSSFIOAISA-N -1 3 398.297 3.629 20 0 GHADHM CSc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC001599818167 988464012 /nfs/dbraw/zinc/46/40/12/988464012.db2.gz PFVCUCNUPNHXMH-KBXCAEBGSA-N -1 3 399.516 3.891 20 0 GHADHM CSc1cccc(N(C(=O)c2oc(C(=O)[O-])cc2C)C2CCN(C)CC2)c1 ZINC001599821947 988529135 /nfs/dbraw/zinc/52/91/35/988529135.db2.gz LEZLASXNMQAUNA-UHFFFAOYSA-N -1 3 388.489 3.749 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](NCc2csc(C(=O)[O-])c2)Cc2ccccc21 ZINC001589929538 988686717 /nfs/dbraw/zinc/68/67/17/988686717.db2.gz XMRAGFWXDYEZNG-HNNXBMFYSA-N -1 3 388.489 3.902 20 0 GHADHM CCc1oc(CN2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597799864 989388506 /nfs/dbraw/zinc/38/85/06/989388506.db2.gz VAUOERMETYSJJZ-ZUOKHONESA-N -1 3 380.485 3.523 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001590184168 989529305 /nfs/dbraw/zinc/52/93/05/989529305.db2.gz BFOINOQBLPGNJD-UHFFFAOYSA-N -1 3 391.512 3.717 20 0 GHADHM CC(C)(C)n1cncc1[C@H]1CCCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001590602732 990261624 /nfs/dbraw/zinc/26/16/24/990261624.db2.gz CMODBRNWQKTIIG-INIZCTEOSA-N -1 3 384.524 3.854 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(Cc3ccncc3)c2C)c([O-])c1 ZINC000545135845 1015570477 /nfs/dbraw/zinc/57/04/77/1015570477.db2.gz WJKWOSXSOMSRQE-UHFFFAOYSA-N -1 3 393.443 3.683 20 0 GHADHM COc1cc(C(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)cc(OC)c1[O-] ZINC000545146962 1015583215 /nfs/dbraw/zinc/58/32/15/1015583215.db2.gz BFYOKZXIDGXBNF-QGZVFWFLSA-N -1 3 375.440 3.888 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598228616 990922643 /nfs/dbraw/zinc/92/26/43/990922643.db2.gz MHWSTWACEIILMR-UHFFFAOYSA-N -1 3 392.459 3.529 20 0 GHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001598229096 990926134 /nfs/dbraw/zinc/92/61/34/990926134.db2.gz VVKALMMTRMCSKL-UHFFFAOYSA-N -1 3 398.438 3.601 20 0 GHADHM CN(C)c1ccccc1CN[C@@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001598342035 991407220 /nfs/dbraw/zinc/40/72/20/991407220.db2.gz DVWANZBINMKNEB-IBGZPJMESA-N -1 3 391.309 3.995 20 0 GHADHM CN(CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC001598487453 992225073 /nfs/dbraw/zinc/22/50/73/992225073.db2.gz PPRJTEXNKZOOFS-UHFFFAOYSA-N -1 3 392.455 3.752 20 0 GHADHM CC(C)CN(CC(=O)[O-])Cc1cc(Br)ccc1Br ZINC001591304987 992260876 /nfs/dbraw/zinc/26/08/76/992260876.db2.gz XMHJENUOKZGFRX-UHFFFAOYSA-N -1 3 379.092 3.754 20 0 GHADHM CN(CCOc1ccccc1F)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598499294 992409978 /nfs/dbraw/zinc/40/99/78/992409978.db2.gz PZOQHKQYFHOETO-UHFFFAOYSA-N -1 3 382.229 3.797 20 0 GHADHM CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ccoc2C(=O)[O-])c1 ZINC001598529570 992762161 /nfs/dbraw/zinc/76/21/61/992762161.db2.gz HRSGMDQQYHWERF-UHFFFAOYSA-N -1 3 378.428 3.540 20 0 GHADHM CN(Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1(C(=O)[O-])CCCCC1 ZINC001598534155 992829250 /nfs/dbraw/zinc/82/92/50/992829250.db2.gz SCUNMYAKRSZWQC-UHFFFAOYSA-N -1 3 383.279 3.793 20 0 GHADHM COc1cc(C)c(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000468563141 1015807836 /nfs/dbraw/zinc/80/78/36/1015807836.db2.gz DEOHFLIGKSYGID-UHFFFAOYSA-N -1 3 375.440 3.838 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC001593131218 993878942 /nfs/dbraw/zinc/87/89/42/993878942.db2.gz LZTUIDSELCGMLT-STQMWFEESA-N -1 3 382.888 3.773 20 0 GHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CC(=O)N2C ZINC001593194690 994139102 /nfs/dbraw/zinc/13/91/02/994139102.db2.gz LOEPDTLDWWIINC-ZMZPIMSZSA-N -1 3 392.377 3.701 20 0 GHADHM C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(C(=O)[O-])cs1 ZINC001593222931 994337259 /nfs/dbraw/zinc/33/72/59/994337259.db2.gz MJBQCFDWIXVVTL-FZMZJTMJSA-N -1 3 378.881 3.946 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001593237068 994412159 /nfs/dbraw/zinc/41/21/59/994412159.db2.gz MZBARWWMSWQOMS-XOBRGWDASA-N -1 3 388.895 3.883 20 0 GHADHM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC001599649855 994480482 /nfs/dbraw/zinc/48/04/82/994480482.db2.gz ILXHBMVHPOCPHB-IBGZPJMESA-N -1 3 385.460 3.908 20 0 GHADHM C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccccc1OCC(=O)[O-] ZINC001593293749 994686552 /nfs/dbraw/zinc/68/65/52/994686552.db2.gz XNHZUVIBXLYFIX-OAHLLOKOSA-N -1 3 379.460 3.615 20 0 GHADHM C[C@@](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)(C(=O)[O-])c1ccccc1 ZINC001593312203 994796625 /nfs/dbraw/zinc/79/66/25/994796625.db2.gz QHPMBPUPMIHRNQ-IBGZPJMESA-N -1 3 389.377 3.981 20 0 GHADHM COc1cccc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c1OC ZINC001599670744 994807381 /nfs/dbraw/zinc/80/73/81/994807381.db2.gz GWVVTLAWVIVYLY-UHFFFAOYSA-N -1 3 383.366 3.809 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000545490772 1015937820 /nfs/dbraw/zinc/93/78/20/1015937820.db2.gz QDQCWTQVTOFGRP-NSHDSACASA-N -1 3 399.921 3.888 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1)C(=O)[O-] ZINC001593617082 995848597 /nfs/dbraw/zinc/84/85/97/995848597.db2.gz AOOHYAOJSUXTLC-UTKZUKDTSA-N -1 3 383.488 3.922 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)ccc1F ZINC000468768661 1016014831 /nfs/dbraw/zinc/01/48/31/1016014831.db2.gz AURGAACPZSZMLI-UHFFFAOYSA-N -1 3 387.392 3.771 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000468790749 1016034312 /nfs/dbraw/zinc/03/43/12/1016034312.db2.gz BLXZOYNXPJKHJT-UHFFFAOYSA-N -1 3 390.499 3.542 20 0 GHADHM COC(=O)Cc1ccccc1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598874246 996753786 /nfs/dbraw/zinc/75/37/86/996753786.db2.gz YJJVTZRNRIFLIR-KRWDZBQOSA-N -1 3 382.243 3.624 20 0 GHADHM COc1cc(C)c(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC ZINC001599391491 997045472 /nfs/dbraw/zinc/04/54/72/997045472.db2.gz ZXJBFUXKTBWKHS-UHFFFAOYSA-N -1 3 379.403 3.767 20 0 GHADHM COc1cc(C)c(CN(CC(=O)[O-])Cc2cccc(Br)c2)c(C)n1 ZINC001599391474 997046158 /nfs/dbraw/zinc/04/61/58/997046158.db2.gz YYAAWYAFKOPVQX-UHFFFAOYSA-N -1 3 393.281 3.556 20 0 GHADHM COC[C@]1(C(=O)[O-])CCCCN1Cc1cc2cc(Cl)ccc2nc1Cl ZINC001599190782 997119430 /nfs/dbraw/zinc/11/94/30/997119430.db2.gz NWPOXANQMCVQSW-SFHVURJKSA-N -1 3 383.275 3.997 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC(=O)Nc1cccc2ccccc21 ZINC000468841695 1016097399 /nfs/dbraw/zinc/09/73/99/1016097399.db2.gz GNTBECIHFVQNBS-UHFFFAOYSA-N -1 3 380.419 3.762 20 0 GHADHM COc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccncc1 ZINC001599405293 997285425 /nfs/dbraw/zinc/28/54/25/997285425.db2.gz RVOOZVZTXOILFV-UHFFFAOYSA-N -1 3 392.455 3.999 20 0 GHADHM COc1cc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cc(OC)c1OC ZINC001599407170 997332506 /nfs/dbraw/zinc/33/25/06/997332506.db2.gz OOWUSWFPBRHMGQ-UHFFFAOYSA-N -1 3 399.487 3.865 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2C)cc(Br)c1OC ZINC001599414611 997483260 /nfs/dbraw/zinc/48/32/60/997483260.db2.gz KAVSVRKHAWAVAH-MRXNPFEDSA-N -1 3 394.265 3.690 20 0 GHADHM COc1ccc([C@H](NCc2cc3nc(Cl)ccc3s2)C(=O)[O-])cc1O ZINC001599532123 997673697 /nfs/dbraw/zinc/67/36/97/997673697.db2.gz ONYNIQFNPZCNRH-INIZCTEOSA-N -1 3 378.837 3.579 20 0 GHADHM COc1ccc([C@H](O)C2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)cc1 ZINC001599532342 997678338 /nfs/dbraw/zinc/67/83/38/997678338.db2.gz QGUNOJFTFSFROG-PMACEKPBSA-N -1 3 389.879 3.920 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)[O-])cc1 ZINC001599532805 997688866 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GHADHM COC(=O)c1ccc([O-])c(O[C@@H]2CCCc3c(Br)cccc32)n1 ZINC001227826900 1032636065 /nfs/dbraw/zinc/63/60/65/1032636065.db2.gz VSEJBCBABHQWDZ-OAHLLOKOSA-N -1 3 378.222 3.793 20 0 GHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000562041827 1018016612 /nfs/dbraw/zinc/01/66/12/1018016612.db2.gz JQBAKQLBYQPORT-UHFFFAOYSA-N -1 3 376.290 3.782 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc3cc(Br)cnc3s2)o1 ZINC001155870247 1032752197 /nfs/dbraw/zinc/75/21/97/1032752197.db2.gz FQHNUEJURHFIDD-UHFFFAOYSA-N -1 3 381.255 3.992 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nc(C3CCC3)no2)CC1 ZINC000562688903 1018539953 /nfs/dbraw/zinc/53/99/53/1018539953.db2.gz HBYNYEWHNYDWNW-UHFFFAOYSA-N -1 3 376.844 3.551 20 0 GHADHM O=C(NC1(c2noc(C(F)(F)F)n2)CCCC1)c1cc([O-])ccc1Cl ZINC000563401855 1018911381 /nfs/dbraw/zinc/91/13/81/1018911381.db2.gz ZUFKYYSCVQFDKF-UHFFFAOYSA-N -1 3 375.734 3.647 20 0 GHADHM O=C([O-])[C@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(Cl)c(F)c1 ZINC000574024056 1019848870 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O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001156285249 1032958803 /nfs/dbraw/zinc/95/88/03/1032958803.db2.gz GXLFIUSCFMHKMN-SNVBAGLBSA-N -1 3 384.839 3.614 20 0 GHADHM COc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCC2)c([O-])c1 ZINC001626156543 1021293700 /nfs/dbraw/zinc/29/37/00/1021293700.db2.gz BQARBVZXJJCJDD-UHFFFAOYSA-N -1 3 376.250 3.973 20 0 GHADHM O=C([O-])C[C@H]1CSCCN1Cc1cccc(OCc2ccccc2F)c1 ZINC000901984006 1021471765 /nfs/dbraw/zinc/47/17/65/1021471765.db2.gz XTECZGPCMKTMRY-KRWDZBQOSA-N -1 3 375.465 3.797 20 0 GHADHM CC(C)Oc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000903941398 1021660488 /nfs/dbraw/zinc/66/04/88/1021660488.db2.gz NZABMAFILQMKET-WDYCEAGBSA-N -1 3 381.900 3.971 20 0 GHADHM O=C([O-])c1ccccc1CN1CCC2(CC1)c1ccccc1N(CC1CC1)C2=O ZINC001140501994 1021882931 /nfs/dbraw/zinc/88/29/31/1021882931.db2.gz SGXHQKOGZZEEQU-UHFFFAOYSA-N -1 3 390.483 3.675 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001228627197 1033016493 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GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140994336 1023116707 /nfs/dbraw/zinc/11/67/07/1023116707.db2.gz RELHRBMBMWPTBK-MRXNPFEDSA-N -1 3 382.451 3.940 20 0 GHADHM [O-]c1c(F)cc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)cc1F ZINC001140994366 1023118259 /nfs/dbraw/zinc/11/82/59/1023118259.db2.gz XHDHASSTHOLNSE-KRWDZBQOSA-N -1 3 381.463 3.716 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1F ZINC000836819256 1023388334 /nfs/dbraw/zinc/38/83/34/1023388334.db2.gz DVFAPBBZYZMIKG-UHFFFAOYSA-N -1 3 394.468 3.552 20 0 GHADHM CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc([O-])c(F)c1 ZINC000755867912 1023410249 /nfs/dbraw/zinc/41/02/49/1023410249.db2.gz QAYJZTQGDFDXSJ-LJQANCHMSA-N -1 3 384.407 3.635 20 0 GHADHM COc1ccc(-n2ccc(C[N-]C(=O)C(F)(F)c3c(F)cccc3F)n2)cc1 ZINC000756949233 1023881331 /nfs/dbraw/zinc/88/13/31/1023881331.db2.gz HEZGDQAQIYVPFU-UHFFFAOYSA-N -1 3 393.340 3.567 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)s1 ZINC001161179835 1024240094 /nfs/dbraw/zinc/24/00/94/1024240094.db2.gz VVCUTZRDWRPETF-UHFFFAOYSA-N -1 3 386.433 3.584 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)s1 ZINC001138181636 1024319466 /nfs/dbraw/zinc/31/94/66/1024319466.db2.gz YJWQNACJDYDLCV-JTQLQIEISA-N -1 3 397.403 3.632 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC3(CC2)OCc2ccccc23)c2ccccc21 ZINC001138194689 1024341371 /nfs/dbraw/zinc/34/13/71/1024341371.db2.gz YFGNWSNRPNUVKO-UHFFFAOYSA-N -1 3 376.456 3.747 20 0 GHADHM CC(C)(C)NC(=O)c1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001141309756 1024489940 /nfs/dbraw/zinc/48/99/40/1024489940.db2.gz ZTMVJRGTJVNJBK-UHFFFAOYSA-N -1 3 399.397 3.587 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001138296254 1024574796 /nfs/dbraw/zinc/57/47/96/1024574796.db2.gz WEOUBEPWYAISNF-YPMHNXCESA-N -1 3 377.282 3.989 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cnc([C@@H]2CCCO2)s1 ZINC000837605113 1024582082 /nfs/dbraw/zinc/58/20/82/1024582082.db2.gz KCXYYADIGHQKEQ-AWEZNQCLSA-N 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ZINC001141622403 1025931387 /nfs/dbraw/zinc/93/13/87/1025931387.db2.gz JNOYFFJVSVIGBE-UHFFFAOYSA-N -1 3 389.253 3.548 20 0 GHADHM COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC001141648982 1026055817 /nfs/dbraw/zinc/05/58/17/1026055817.db2.gz AJSYKZGULBTIIN-UHFFFAOYSA-N -1 3 397.456 3.520 20 0 GHADHM O=C([O-])COc1ccc(Br)cc1CN1CC[C@H](c2ccccc2)C1 ZINC001139237931 1026087396 /nfs/dbraw/zinc/08/73/96/1026087396.db2.gz UGJANVOMHBDBTA-HNNXBMFYSA-N -1 3 390.277 3.902 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001163549930 1026232346 /nfs/dbraw/zinc/23/23/46/1026232346.db2.gz IGVOQFBEAREOJA-CHWSQXEVSA-N -1 3 381.448 3.928 20 0 GHADHM Cc1ccccc1-c1nsc(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001163605595 1026248474 /nfs/dbraw/zinc/24/84/74/1026248474.db2.gz MZDNEDCFKDNDRH-STQMWFEESA-N -1 3 383.477 3.689 20 0 GHADHM CCc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000839825233 1026293025 /nfs/dbraw/zinc/29/30/25/1026293025.db2.gz MIGCDFZNJBBELD-QGZVFWFLSA-N -1 3 378.266 3.523 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1NCCCOc1ccccc1C ZINC001163977567 1026376221 /nfs/dbraw/zinc/37/62/21/1026376221.db2.gz FRSDJUZNFSBEQA-UHFFFAOYSA-N -1 3 388.493 3.714 20 0 GHADHM CCOC(=O)N=C([S-])Nc1ncccc1NCCCOc1ccccc1C ZINC001163977567 1026376233 /nfs/dbraw/zinc/37/62/33/1026376233.db2.gz FRSDJUZNFSBEQA-UHFFFAOYSA-N -1 3 388.493 3.714 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCCCOc1ccccc1C ZINC001163977567 1026376244 /nfs/dbraw/zinc/37/62/44/1026376244.db2.gz FRSDJUZNFSBEQA-UHFFFAOYSA-N -1 3 388.493 3.714 20 0 GHADHM CCc1ccc(CN(CC(C)C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC001461105744 1069392447 /nfs/dbraw/zinc/39/24/47/1069392447.db2.gz QEBBLCQMNUFYLX-UHFFFAOYSA-N -1 3 394.519 3.841 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC001164539881 1026547136 /nfs/dbraw/zinc/54/71/36/1026547136.db2.gz ZMDZVIFLSHQBEY-UHFFFAOYSA-N -1 3 388.439 3.794 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2Cc2ccc(OC)cc2)c1 ZINC001165481047 1026742701 /nfs/dbraw/zinc/74/27/01/1026742701.db2.gz LOTIVJTWJGDJEP-SFHVURJKSA-N -1 3 394.471 3.763 20 0 GHADHM Cn1c(=O)[n-]c(=O)c(N=O)c1Nc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001165685742 1026796049 /nfs/dbraw/zinc/79/60/49/1026796049.db2.gz JFYKHTJYRGFBII-UHFFFAOYSA-N -1 3 382.220 3.665 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140099158 1026876623 /nfs/dbraw/zinc/87/66/23/1026876623.db2.gz WUYYYTKSTAMHTD-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001166115055 1026921966 /nfs/dbraw/zinc/92/19/66/1026921966.db2.gz WSWVBGRAHMUGOM-AGIUHOORSA-N -1 3 389.899 3.995 20 0 GHADHM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccn(-c2ccncc2)n1 ZINC001140211648 1026986611 /nfs/dbraw/zinc/98/66/11/1026986611.db2.gz AKLZDMDRRCJWHQ-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)[C@@H](C)c3ccccc3F)c2)n1 ZINC001141770667 1027194084 /nfs/dbraw/zinc/19/40/84/1027194084.db2.gz WUPWJCQLEHXFAD-RNODOKPDSA-N -1 3 395.434 3.654 20 0 GHADHM COC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccc(Cl)c1 ZINC001141791302 1027291782 /nfs/dbraw/zinc/29/17/82/1027291782.db2.gz JVGVPHXUFCEMCG-OAHLLOKOSA-N -1 3 384.657 3.926 20 0 GHADHM O=C([O-])c1ccc(Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cn1 ZINC001210178170 1027373003 /nfs/dbraw/zinc/37/30/03/1027373003.db2.gz SOKYWEIMMWFPPK-UHFFFAOYSA-N -1 3 388.471 3.846 20 0 GHADHM CC1(C)C[C@@H](C(=O)OCc2noc(-c3ccccc3[O-])n2)c2ccccc2O1 ZINC000840657907 1027698195 /nfs/dbraw/zinc/69/81/95/1027698195.db2.gz BAHSIJSJQZCQMQ-OAHLLOKOSA-N -1 3 380.400 3.830 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2)o1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001141942611 1027719749 /nfs/dbraw/zinc/71/97/49/1027719749.db2.gz IGXMOEPRQUNFIR-UHFFFAOYSA-N -1 3 380.350 3.996 20 0 GHADHM Cc1nc(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)no1 ZINC001211173292 1027821672 /nfs/dbraw/zinc/82/16/72/1027821672.db2.gz YJSIYGWQMYOZPF-CTNGQTDRSA-N -1 3 397.500 3.659 20 0 GHADHM Cc1nc(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)no1 ZINC001211173293 1027822262 /nfs/dbraw/zinc/82/22/62/1027822262.db2.gz YJSIYGWQMYOZPF-FPOVZHCZSA-N -1 3 397.500 3.659 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC001211264707 1027871055 /nfs/dbraw/zinc/87/10/55/1027871055.db2.gz BSSGBYPGIATFBD-CYBMUJFWSA-N -1 3 387.288 3.889 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001211348334 1027916063 /nfs/dbraw/zinc/91/60/63/1027916063.db2.gz OMAVJNRSUHVQJC-GTNSWQLSSA-N -1 3 389.851 3.981 20 0 GHADHM Cc1cnc2n1CCN(C)C21CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142111701 1028142967 /nfs/dbraw/zinc/14/29/67/1028142967.db2.gz WCXQJVLWFOVLFI-UHFFFAOYSA-N -1 3 395.334 3.641 20 0 GHADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])cc(Br)c1 ZINC001142239086 1028449485 /nfs/dbraw/zinc/44/94/85/1028449485.db2.gz CJRKEEZWCKSFBG-VIFPVBQESA-N -1 3 386.192 3.630 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(C)c(Br)c3)no2)[n-]1 ZINC001213975209 1028485088 /nfs/dbraw/zinc/48/50/88/1028485088.db2.gz XMNGZOKTOQWQQY-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM Cc1cc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)ccc1I ZINC001214085371 1028541182 /nfs/dbraw/zinc/54/11/82/1028541182.db2.gz MCFNWKADFKSSIE-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM CC(C)(C)OC(=O)NCC1(CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000841410665 1028587044 /nfs/dbraw/zinc/58/70/44/1028587044.db2.gz IJJCMCAGZKGROG-UHFFFAOYSA-N -1 3 399.285 3.788 20 0 GHADHM COc1cccc([O-])c1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001142346457 1028729010 /nfs/dbraw/zinc/72/90/10/1028729010.db2.gz MKDSGQKSEDNFOP-UHFFFAOYSA-N -1 3 391.349 3.535 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC001142400457 1028813474 /nfs/dbraw/zinc/81/34/74/1028813474.db2.gz BYXTZNMWFXHIQW-UHFFFAOYSA-N -1 3 392.774 3.595 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC001142400457 1028813483 /nfs/dbraw/zinc/81/34/83/1028813483.db2.gz BYXTZNMWFXHIQW-UHFFFAOYSA-N -1 3 392.774 3.595 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1n[nH]c(-c2ccncc2)n1 ZINC001142400776 1028814815 /nfs/dbraw/zinc/81/48/15/1028814815.db2.gz WJPZKUSVSDEEQS-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1ccccc1COc1c(C)cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1C ZINC000841806480 1028953249 /nfs/dbraw/zinc/95/32/49/1028953249.db2.gz ITSFSBQQFCGDEI-NRFANRHFSA-N -1 3 393.487 3.840 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H](C)N3CCC(C)CC3)n2)cc1 ZINC001142553166 1029052867 /nfs/dbraw/zinc/05/28/67/1029052867.db2.gz ZADOJYCQTIQMLK-QGZVFWFLSA-N -1 3 384.524 3.552 20 0 GHADHM CC(C)[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)ONC(=O)OC(C)(C)C ZINC001142558318 1029060182 /nfs/dbraw/zinc/06/01/82/1029060182.db2.gz UQTUFGUOWJKBLC-GOSISDBHSA-N -1 3 388.464 3.756 20 0 GHADHM Cc1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1I ZINC001215301913 1029139823 /nfs/dbraw/zinc/13/98/23/1029139823.db2.gz KWNVZTJQIGJABW-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM CC(=O)c1cc(-c2nc(-c3ccc4c(c3)CCCN4C(C)=O)no2)ccc1[O-] ZINC001215365861 1029175632 /nfs/dbraw/zinc/17/56/32/1029175632.db2.gz ZGQHSBPYQJZXHT-UHFFFAOYSA-N -1 3 377.400 3.611 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3ccc(Cl)cc3C(=O)[O-])C[C@H]2C1 ZINC001142646878 1029203505 /nfs/dbraw/zinc/20/35/05/1029203505.db2.gz HJDUTDVHRYFWSS-HIFRSBDPSA-N -1 3 394.899 3.727 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001142653423 1029212671 /nfs/dbraw/zinc/21/26/71/1029212671.db2.gz KZPXDOBPKKTSOK-LJQANCHMSA-N -1 3 390.892 3.729 20 0 GHADHM COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc2sccc2c([O-])c1 ZINC001142671477 1029237513 /nfs/dbraw/zinc/23/75/13/1029237513.db2.gz HVAWPDXFCLINHV-VWLOTQADSA-N -1 3 376.455 3.881 20 0 GHADHM CCCOc1ccc(C)c(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c1 ZINC001215586721 1029293106 /nfs/dbraw/zinc/29/31/06/1029293106.db2.gz JWUFOMCPSRXMOI-UHFFFAOYSA-N -1 3 375.469 3.965 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1c(F)ccc(SC)c1F)OCC ZINC001215839230 1029417935 /nfs/dbraw/zinc/41/79/35/1029417935.db2.gz LUVIVPSQXRHWRX-UHFFFAOYSA-N -1 3 385.436 3.868 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(-c3ccc(F)c([O-])c3)n2)c1 ZINC001215843027 1029418884 /nfs/dbraw/zinc/41/88/84/1029418884.db2.gz XDPSGOKYVSQUQY-UHFFFAOYSA-N -1 3 378.363 3.636 20 0 GHADHM Clc1ccnc2ccc(-c3noc(-c4ccccc4-c4nnn[n-]4)n3)cc12 ZINC001216014821 1029492891 /nfs/dbraw/zinc/49/28/91/1029492891.db2.gz VYOCMDVWIZTILZ-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2ccc(-c3noc(-c4ccccc4-c4nn[n-]n4)n3)cc12 ZINC001216014821 1029492897 /nfs/dbraw/zinc/49/28/97/1029492897.db2.gz VYOCMDVWIZTILZ-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM c1ccc(COc2cccnc2-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC001216120858 1029531561 /nfs/dbraw/zinc/53/15/61/1029531561.db2.gz DTXSEYCNFBMLEN-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2cccnc2-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC001216120858 1029531570 /nfs/dbraw/zinc/53/15/70/1029531570.db2.gz DTXSEYCNFBMLEN-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Fc1ccc(-c2ccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)nc2)cc1 ZINC001216121396 1029532059 /nfs/dbraw/zinc/53/20/59/1029532059.db2.gz MYPKQPPSDMDOOZ-UHFFFAOYSA-N -1 3 385.362 3.785 20 0 GHADHM Fc1ccc(-c2ccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)nc2)cc1 ZINC001216121396 1029532071 /nfs/dbraw/zinc/53/20/71/1029532071.db2.gz MYPKQPPSDMDOOZ-UHFFFAOYSA-N -1 3 385.362 3.785 20 0 GHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC001216122116 1029533197 /nfs/dbraw/zinc/53/31/97/1029533197.db2.gz YVLQVOCPFQILML-UHFFFAOYSA-N -1 3 394.394 3.815 20 0 GHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC001216122116 1029533204 /nfs/dbraw/zinc/53/32/04/1029533204.db2.gz YVLQVOCPFQILML-UHFFFAOYSA-N -1 3 394.394 3.815 20 0 GHADHM COc1ccc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c(Cl)c1[O-] ZINC001276736637 1029581264 /nfs/dbraw/zinc/58/12/64/1029581264.db2.gz XEONJMNWLCPYFO-HXUWFJFHSA-N -1 3 378.900 3.564 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[n-]n1 ZINC001142899614 1029660089 /nfs/dbraw/zinc/66/00/89/1029660089.db2.gz AJQDYDIVYROQEP-UHFFFAOYSA-N -1 3 379.844 3.815 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n[n-]1 ZINC001142899614 1029660093 /nfs/dbraw/zinc/66/00/93/1029660093.db2.gz AJQDYDIVYROQEP-UHFFFAOYSA-N -1 3 379.844 3.815 20 0 GHADHM COc1cnc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c(Br)c1 ZINC001216702424 1029735056 /nfs/dbraw/zinc/73/50/56/1029735056.db2.gz SCSWIKWCUKUADO-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM COc1ncc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)cc1Br ZINC001216702427 1029735210 /nfs/dbraw/zinc/73/52/10/1029735210.db2.gz SGHIOLOWHOJGMT-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM CN(C)c1ncc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)cc1Br ZINC001216702401 1029735306 /nfs/dbraw/zinc/73/53/06/1029735306.db2.gz RDRWAILCDGSYME-UHFFFAOYSA-N -1 3 395.644 3.986 20 0 GHADHM COCc1c(Br)cccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001143113040 1029849896 /nfs/dbraw/zinc/84/98/96/1029849896.db2.gz FGTBEQPBVTXIEH-UHFFFAOYSA-N -1 3 378.222 3.756 20 0 GHADHM CCOc1cccc(-c2nc(-c3cncc(Br)c3C)no2)c1[O-] ZINC001216959446 1030030825 /nfs/dbraw/zinc/03/08/25/1030030825.db2.gz QJDFZYSHJBHBOO-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3nc4ccccc4cc3C)no2)c1C ZINC001216961253 1030034994 /nfs/dbraw/zinc/03/49/94/1030034994.db2.gz FLHOUITYOGAPLO-UHFFFAOYSA-N -1 3 386.411 3.845 20 0 GHADHM O=C([O-])c1cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)cc(C(F)(F)F)c1 ZINC001222603876 1030229633 /nfs/dbraw/zinc/22/96/33/1030229633.db2.gz FEOROXIXLAFOCU-OAHLLOKOSA-N -1 3 377.366 3.670 20 0 GHADHM O=C(NC[C@@H](O)c1cc2ccccc2s1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001149600385 1030239603 /nfs/dbraw/zinc/23/96/03/1030239603.db2.gz NRQXOAFKIROLDL-OAHLLOKOSA-N -1 3 398.871 3.860 20 0 GHADHM COc1cnc(-c2noc(-c3nc4cc(Br)ccc4[n-]3)n2)c(C)c1 ZINC001217321598 1030307029 /nfs/dbraw/zinc/30/70/29/1030307029.db2.gz BPHBPPCAYAFPDZ-UHFFFAOYSA-N -1 3 386.209 3.754 20 0 GHADHM COc1cnc(-c2noc(-c3nc4ccc(Br)cc4[n-]3)n2)c(C)c1 ZINC001217321598 1030307038 /nfs/dbraw/zinc/30/70/38/1030307038.db2.gz BPHBPPCAYAFPDZ-UHFFFAOYSA-N -1 3 386.209 3.754 20 0 GHADHM COc1ccc(-c2noc(-c3c([O-])cnc4ccc(Br)cc43)n2)nc1 ZINC001217501533 1030443542 /nfs/dbraw/zinc/44/35/42/1030443542.db2.gz RNHMCWMPWVPUFA-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001150405403 1030516638 /nfs/dbraw/zinc/51/66/38/1030516638.db2.gz HHDMOISBVYRTAU-QGTPRVQTSA-N -1 3 388.508 3.855 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H](C)c3ccc(OC)nc3)nc21 ZINC001223404267 1030557839 /nfs/dbraw/zinc/55/78/39/1030557839.db2.gz RCWKRKSWPVDLCN-YPMLDQLKSA-N -1 3 393.802 3.850 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H](C)c3ccc(OC)nc3)[n-]c21 ZINC001223404267 1030557848 /nfs/dbraw/zinc/55/78/48/1030557848.db2.gz RCWKRKSWPVDLCN-YPMLDQLKSA-N -1 3 393.802 3.850 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2cccc3c2n(c1=O)CCC3 ZINC001150559540 1030568348 /nfs/dbraw/zinc/56/83/48/1030568348.db2.gz CJFAROAMRZZAAV-UHFFFAOYSA-N -1 3 399.244 3.668 20 0 GHADHM C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001217985596 1030705536 /nfs/dbraw/zinc/70/55/36/1030705536.db2.gz CEKKUVNRPMMIIL-DYVFJYSZSA-N -1 3 381.428 3.638 20 0 GHADHM C[C@@H](CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1 ZINC001151185792 1030798410 /nfs/dbraw/zinc/79/84/10/1030798410.db2.gz RYDIBLFKWKPJSV-ZIAGYGMSSA-N -1 3 384.904 3.870 20 0 GHADHM Cc1cc2c(ncnc2NC(=O)c2nc3cc(Br)ccc3[n-]2)s1 ZINC001151820249 1031016624 /nfs/dbraw/zinc/01/66/24/1031016624.db2.gz PZLICRPGFWINKA-UHFFFAOYSA-N -1 3 388.250 3.891 20 0 GHADHM Cc1cc2c(ncnc2NC(=O)c2nc3ccc(Br)cc3[n-]2)s1 ZINC001151820249 1031016640 /nfs/dbraw/zinc/01/66/40/1031016640.db2.gz PZLICRPGFWINKA-UHFFFAOYSA-N -1 3 388.250 3.891 20 0 GHADHM CC1(C)C(=O)Nc2cc(NC(=O)c3nc4cc(Br)ccc4[n-]3)ccc21 ZINC001151827276 1031023538 /nfs/dbraw/zinc/02/35/38/1031023538.db2.gz ZZARBMWVUVLXSX-UHFFFAOYSA-N -1 3 399.248 3.807 20 0 GHADHM CC1(C)C(=O)Nc2cc(NC(=O)c3nc4ccc(Br)cc4[n-]3)ccc21 ZINC001151827276 1031023552 /nfs/dbraw/zinc/02/35/52/1031023552.db2.gz ZZARBMWVUVLXSX-UHFFFAOYSA-N -1 3 399.248 3.807 20 0 GHADHM CCc1ccc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001152344574 1031199045 /nfs/dbraw/zinc/19/90/45/1031199045.db2.gz ULVIXPQGNWIXHH-UHFFFAOYSA-N -1 3 376.497 3.722 20 0 GHADHM O=C(Nc1ccc2cc(Cl)cnc2n1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001152495084 1031261316 /nfs/dbraw/zinc/26/13/16/1031261316.db2.gz JYGSRCKPUHZGDX-UHFFFAOYSA-N -1 3 386.745 3.655 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001152843904 1031374599 /nfs/dbraw/zinc/37/45/99/1031374599.db2.gz BQUIJOHFSCXPNA-OLZOCXBDSA-N -1 3 380.510 3.584 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153484298 1031611962 /nfs/dbraw/zinc/61/19/62/1031611962.db2.gz ZCKXGIOEOMQPLD-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153484298 1031611975 /nfs/dbraw/zinc/61/19/75/1031611975.db2.gz ZCKXGIOEOMQPLD-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225851446 1031651612 /nfs/dbraw/zinc/65/16/12/1031651612.db2.gz WWCXRZLDLVDEEL-NXEZZACHSA-N -1 3 393.431 3.808 20 0 GHADHM COc1ccccc1CC(C)(C)NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908673 1031805755 /nfs/dbraw/zinc/80/57/55/1031805755.db2.gz VKBLPAHRDKMJND-UHFFFAOYSA-N -1 3 384.863 3.941 20 0 GHADHM COc1ccc2cc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)sc2c1 ZINC001153933088 1031822320 /nfs/dbraw/zinc/82/23/20/1031822320.db2.gz HQPOPRYOAYYDMJ-UHFFFAOYSA-N -1 3 392.440 3.706 20 0 GHADHM O=c1nc2ccc(F)cc2c(O/C(=C\[C@H](O)C(F)(F)F)c2cccs2)[n-]1 ZINC001226407834 1031949581 /nfs/dbraw/zinc/94/95/81/1031949581.db2.gz YNVGRMLKFDMXMV-YLBKJLTLSA-N -1 3 386.326 3.879 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCOc3ccc(Br)cc32)c1O ZINC001226479353 1031974108 /nfs/dbraw/zinc/97/41/08/1031974108.db2.gz PSLXSGDYEXSZEZ-HNNXBMFYSA-N -1 3 379.206 3.966 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(c3ccc(Br)cc3)C2)c1O ZINC001226483814 1031975219 /nfs/dbraw/zinc/97/52/19/1031975219.db2.gz ZEOGNQBLJKOBDX-AWEZNQCLSA-N -1 3 392.249 3.721 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(C)cc2cccnc21 ZINC001154195416 1031977957 /nfs/dbraw/zinc/97/79/57/1031977957.db2.gz SSGUVYYHPODPKL-UHFFFAOYSA-N -1 3 376.372 3.508 20 0 GHADHM CO[C@H](C)CO[C@@H](C)COc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492581 1031982554 /nfs/dbraw/zinc/98/25/54/1031982554.db2.gz ZCHWEWDXEBAOBG-CABCVRRESA-N -1 3 384.428 3.984 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1ccc(Cl)cc1Cl ZINC001154212037 1031987102 /nfs/dbraw/zinc/98/71/02/1031987102.db2.gz FZOPFEHXEJYBHX-INIZCTEOSA-N -1 3 393.274 3.608 20 0 GHADHM CCCCOc1cc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)c2ccccc2n1 ZINC001154236442 1031996857 /nfs/dbraw/zinc/99/68/57/1031996857.db2.gz MTXBRYSZQNQERX-UHFFFAOYSA-N -1 3 382.420 3.566 20 0 GHADHM CCCCOc1cc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)c2ccccc2n1 ZINC001154236442 1031996861 /nfs/dbraw/zinc/99/68/61/1031996861.db2.gz MTXBRYSZQNQERX-UHFFFAOYSA-N -1 3 382.420 3.566 20 0 GHADHM CCCCOc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc2n1 ZINC001154235034 1031997074 /nfs/dbraw/zinc/99/70/74/1031997074.db2.gz FITCYUOYRNALCI-UHFFFAOYSA-N -1 3 379.342 3.803 20 0 GHADHM CCCCOc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc2n1 ZINC001154235034 1031997078 /nfs/dbraw/zinc/99/70/78/1031997078.db2.gz FITCYUOYRNALCI-UHFFFAOYSA-N -1 3 379.342 3.803 20 0 GHADHM O=c1ccc2ccc([O-])c(O[C@@H]3CCCN(Cc4cnc(Cl)s4)C3)c2o1 ZINC001226599386 1032035582 /nfs/dbraw/zinc/03/55/82/1032035582.db2.gz MKMTWCJAHKIVRR-GFCCVEGCSA-N -1 3 392.864 3.652 20 0 GHADHM CC1(C)CN(Cc2ccccc2)C[C@H](COc2cc([O-])cc3oc(=O)ccc23)O1 ZINC001229134227 1033300013 /nfs/dbraw/zinc/30/00/13/1033300013.db2.gz GRRDERGEZLVVHC-GOSISDBHSA-N -1 3 395.455 3.557 20 0 GHADHM [O-]c1cccc(OC2CCN(c3ccnc(Cl)n3)CC2)c1Br ZINC001229139572 1033303253 /nfs/dbraw/zinc/30/32/53/1033303253.db2.gz IHBZZVMXJRVMEH-UHFFFAOYSA-N -1 3 384.661 3.646 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCC(Oc2cccc([O-])c2Br)CC1 ZINC001229144036 1033306098 /nfs/dbraw/zinc/30/60/98/1033306098.db2.gz ZSHAUAPZUKEEQT-UHFFFAOYSA-N -1 3 394.240 3.977 20 0 GHADHM C[C@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157235085 1033486960 /nfs/dbraw/zinc/48/69/60/1033486960.db2.gz UGJQPQOSWLFNGL-ZETCQYMHSA-N -1 3 397.184 3.777 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001157234739 1033487477 /nfs/dbraw/zinc/48/74/77/1033487477.db2.gz RJHYRLWSWHOCGK-SECBINFHSA-N -1 3 388.340 3.791 20 0 GHADHM CCCO[C@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1C ZINC001157242271 1033488777 /nfs/dbraw/zinc/48/87/77/1033488777.db2.gz LBDLLRCCFHANNR-GWCFXTLKSA-N -1 3 388.365 3.616 20 0 GHADHM COCCOCCOc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001157658797 1033708536 /nfs/dbraw/zinc/70/85/36/1033708536.db2.gz IHUYWQKGRXTJLL-UHFFFAOYSA-N -1 3 387.457 3.901 20 0 GHADHM COC(=O)c1cnc(=O)[n-]c1O[C@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC001229872908 1033764317 /nfs/dbraw/zinc/76/43/17/1033764317.db2.gz OPGLHVMEIRBSCR-IBGZPJMESA-N -1 3 392.411 3.589 20 0 GHADHM COC(=O)c1cnc(=O)[n-]c1O[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC001229872909 1033764810 /nfs/dbraw/zinc/76/48/10/1033764810.db2.gz OPGLHVMEIRBSCR-LJQANCHMSA-N -1 3 392.411 3.589 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001229954704 1033814352 /nfs/dbraw/zinc/81/43/52/1033814352.db2.gz NKUASICHSCBFSY-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001229954704 1033814366 /nfs/dbraw/zinc/81/43/66/1033814366.db2.gz NKUASICHSCBFSY-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(CC(F)(F)F)cc1 ZINC001206472341 1033860713 /nfs/dbraw/zinc/86/07/13/1033860713.db2.gz VVOWTPIBJYZJGS-FZMZJTMJSA-N -1 3 382.348 3.823 20 0 GHADHM O=C(Nc1ncc(C2CCOCC2)s1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001158429021 1034075357 /nfs/dbraw/zinc/07/53/57/1034075357.db2.gz CFAVKLVOBLAIIH-UHFFFAOYSA-N -1 3 389.864 3.784 20 0 GHADHM COc1cc2c(cc1OCc1ccccc1)ncnc2NCc1ncccc1[O-] ZINC001158770917 1034265792 /nfs/dbraw/zinc/26/57/92/1034265792.db2.gz NHGMEQVEWJLYGT-UHFFFAOYSA-N -1 3 388.427 3.930 20 0 GHADHM COC(=O)c1c([N-]C(=O)c2ocnc2-c2ccccc2)sc2c1CCOC2 ZINC001276526375 1034302949 /nfs/dbraw/zinc/30/29/49/1034302949.db2.gz XANQVRIPFCFEMV-UHFFFAOYSA-N -1 3 384.413 3.515 20 0 GHADHM Cc1ccc(C2=NO[C@H](CNCc3cccc([O-])c3Br)C2)cc1 ZINC001207395866 1034339808 /nfs/dbraw/zinc/33/98/08/1034339808.db2.gz XUOXIHXFIITQQA-HNNXBMFYSA-N -1 3 375.266 3.746 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)c1 ZINC001231077355 1034382038 /nfs/dbraw/zinc/38/20/38/1034382038.db2.gz SOOQRIQMAZKTPV-HNNXBMFYSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)c1 ZINC001231077355 1034382056 /nfs/dbraw/zinc/38/20/56/1034382056.db2.gz SOOQRIQMAZKTPV-HNNXBMFYSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C(=O)c1ccco1)c1ccco1 ZINC001231090775 1034391271 /nfs/dbraw/zinc/39/12/71/1034391271.db2.gz LTASDSIWRZUKDN-INIZCTEOSA-N -1 3 391.763 3.806 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001231090776 1034391610 /nfs/dbraw/zinc/39/16/10/1034391610.db2.gz LTASDSIWRZUKDN-MRXNPFEDSA-N -1 3 391.763 3.806 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC001231459255 1034602395 /nfs/dbraw/zinc/60/23/95/1034602395.db2.gz KMTLEYSHZPMEBH-SFTDATJTSA-N -1 3 384.451 3.531 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)C1 ZINC001231462017 1034606445 /nfs/dbraw/zinc/60/64/45/1034606445.db2.gz BZQPFRAKIMRSNM-BEFAXECRSA-N -1 3 398.500 3.617 20 0 GHADHM CCOc1cccc(N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)n1 ZINC001231527068 1034680698 /nfs/dbraw/zinc/68/06/98/1034680698.db2.gz XOSGLISRKATESI-UHFFFAOYSA-N -1 3 381.398 3.527 20 0 GHADHM CCCCNC(=O)[C@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277547839 1034816397 /nfs/dbraw/zinc/81/63/97/1034816397.db2.gz IWAUQVGJPYKKRY-OAHLLOKOSA-N -1 3 395.341 3.673 20 0 GHADHM COc1ccc(N2C[C@]3(CCN(Cc4ccc(Cl)c([O-])c4)C3)CC2=O)cc1 ZINC001231730930 1034868087 /nfs/dbraw/zinc/86/80/87/1034868087.db2.gz HRKLJEQMBKCLEF-OAQYLSRUSA-N -1 3 386.879 3.683 20 0 GHADHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001208512840 1034919826 /nfs/dbraw/zinc/91/98/26/1034919826.db2.gz USGPIABHMPNMHL-UHFFFAOYSA-N -1 3 391.386 3.819 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)c1[O-] ZINC001160321686 1034939302 /nfs/dbraw/zinc/93/93/02/1034939302.db2.gz WBNICTSKXVMOIO-UHFFFAOYSA-N -1 3 397.381 3.800 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001208694624 1034982656 /nfs/dbraw/zinc/98/26/56/1034982656.db2.gz RKMJRBIHGUPMKJ-QGZVFWFLSA-N -1 3 376.865 3.899 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cc(NC(=O)C(C)C)ccc3C)c(=O)c2c1 ZINC001160566410 1035003724 /nfs/dbraw/zinc/00/37/24/1035003724.db2.gz WDIRGDXUWDRCMW-UHFFFAOYSA-N -1 3 377.444 3.992 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cc3nnn[n-]3)c2)ccc1C(C)C ZINC001160949387 1035102035 /nfs/dbraw/zinc/10/20/35/1035102035.db2.gz WWJQIGNVKJFXLF-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cc3nn[n-]n3)c2)ccc1C(C)C ZINC001160949387 1035102042 /nfs/dbraw/zinc/10/20/42/1035102042.db2.gz WWJQIGNVKJFXLF-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001161020252 1035121803 /nfs/dbraw/zinc/12/18/03/1035121803.db2.gz ADWHTGUYTUIMPD-GOSISDBHSA-N -1 3 382.847 3.885 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2Cl)cc1F ZINC001209298278 1035234805 /nfs/dbraw/zinc/23/48/05/1035234805.db2.gz XCQMJCQZBPFZFC-UHFFFAOYSA-N -1 3 389.851 3.926 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001161553389 1035256960 /nfs/dbraw/zinc/25/69/60/1035256960.db2.gz KQQHCIRUXSIMDQ-SJORKVTESA-N -1 3 385.464 3.886 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cscn1 ZINC001209387467 1035265488 /nfs/dbraw/zinc/26/54/88/1035265488.db2.gz PLMUUINOUNYTJU-LJQANCHMSA-N -1 3 386.498 3.536 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2cccc3ccccc32)cc1F ZINC001209449280 1035276466 /nfs/dbraw/zinc/27/64/66/1035276466.db2.gz VVQKPNJODHACQZ-UHFFFAOYSA-N -1 3 377.412 3.648 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241295734 1035551505 /nfs/dbraw/zinc/55/15/05/1035551505.db2.gz ZBTZPTJBCSHUDU-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC001241444550 1035584502 /nfs/dbraw/zinc/58/45/02/1035584502.db2.gz FDUIYMGTUJYHGQ-UHFFFAOYSA-N -1 3 376.441 3.675 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001241444550 1035584511 /nfs/dbraw/zinc/58/45/11/1035584511.db2.gz FDUIYMGTUJYHGQ-UHFFFAOYSA-N -1 3 376.441 3.675 20 0 GHADHM O=C(NC(=S)Nc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC001248179160 1035606411 /nfs/dbraw/zinc/60/64/11/1035606411.db2.gz CULWOZVCTHRNDA-UHFFFAOYSA-N -1 3 385.670 3.935 20 0 GHADHM COc1cc(C(C)=O)c([N-]C(=S)NC(=O)c2ccc(Cl)cc2)cc1F ZINC001248200230 1035631440 /nfs/dbraw/zinc/63/14/40/1035631440.db2.gz YWRSLOXHAAGCOP-UHFFFAOYSA-N -1 3 380.828 3.817 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001248248666 1035696747 /nfs/dbraw/zinc/69/67/47/1035696747.db2.gz CJTSJHSUQHFEJB-INIZCTEOSA-N -1 3 381.823 3.524 20 0 GHADHM [O-]c1cc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)ccc1F ZINC001243046362 1036017649 /nfs/dbraw/zinc/01/76/49/1036017649.db2.gz DRDHNCXDIMWSKX-UHFFFAOYSA-N -1 3 385.464 3.524 20 0 GHADHM COCOc1cnc(-c2ccc(OC(F)(F)F)cc2[O-])cc1/C=C/N(C)C ZINC001244465241 1036513952 /nfs/dbraw/zinc/51/39/52/1036513952.db2.gz SCLUEAHLJDAEDG-VOTSOKGWSA-N -1 3 384.354 3.868 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245426213 1036919846 /nfs/dbraw/zinc/91/98/46/1036919846.db2.gz BJGYQBHPSPCRGO-KBXCAEBGSA-N -1 3 382.426 3.694 20 0 GHADHM N[C@@H](CCCC[N-]C(=O)C(F)(F)F)c1nc(-c2cccc3ccccc32)no1 ZINC001247688930 1038327649 /nfs/dbraw/zinc/32/76/49/1038327649.db2.gz DHSPDDONCWESCA-HNNXBMFYSA-N -1 3 392.381 3.738 20 0 GHADHM Cc1ccc(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)cc1Cl ZINC001247689789 1038328093 /nfs/dbraw/zinc/32/80/93/1038328093.db2.gz JPRLQEQMBNCIQB-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM COCCCN(Cc1cccc([O-])c1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232788857 1038556251 /nfs/dbraw/zinc/55/62/51/1038556251.db2.gz AQFZLAKYLCHPNQ-MRXNPFEDSA-N -1 3 398.931 3.894 20 0 GHADHM COc1cccc2c1CN(Cc1ccc([O-])c(I)c1)CC2 ZINC001232867895 1038631283 /nfs/dbraw/zinc/63/12/83/1038631283.db2.gz ILANKZFMMXNJNQ-UHFFFAOYSA-N -1 3 395.240 3.564 20 0 GHADHM [O-]c1ccc(CN2CCC(OC3CCC3)CC2)cc1I ZINC001232867253 1038631389 /nfs/dbraw/zinc/63/13/89/1038631389.db2.gz CAOIFOAOTGVXPS-UHFFFAOYSA-N -1 3 387.261 3.530 20 0 GHADHM [O-]c1ccc(CN2CCC(C(F)(F)F)CC2)cc1I ZINC001232867550 1038631559 /nfs/dbraw/zinc/63/15/59/1038631559.db2.gz GWIMGMJRVHACQB-UHFFFAOYSA-N -1 3 385.167 3.771 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H]2c2nccs2)cc1I ZINC001232869724 1038634919 /nfs/dbraw/zinc/63/49/19/1038634919.db2.gz HSIOAEWYFRRURU-LBPRGKRZSA-N -1 3 386.258 3.790 20 0 GHADHM [O-]c1c(F)ccc(CN2CCC3(CC2)CN(Cc2cccs2)CCO3)c1F ZINC001232932723 1038714430 /nfs/dbraw/zinc/71/44/30/1038714430.db2.gz AFXYPELRULKUIA-UHFFFAOYSA-N -1 3 394.487 3.599 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(F)c([O-])c3F)CC[C@@H]2C1 ZINC001232933184 1038714538 /nfs/dbraw/zinc/71/45/38/1038714538.db2.gz GFOJWHXESKTNKW-OKILXGFUSA-N -1 3 382.451 3.749 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(F)c([O-])c3F)C2)CC1 ZINC001232932808 1038715728 /nfs/dbraw/zinc/71/57/28/1038715728.db2.gz CZXVDMUVBLOKSR-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3cc(Cl)ncc3[O-])C[C@@H]2CF)CC1 ZINC001233035859 1038791721 /nfs/dbraw/zinc/79/17/21/1038791721.db2.gz JOXRSFYPINRAQT-UONOGXRCSA-N -1 3 399.894 3.515 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3cc(Cl)ncc3[O-])C2)C1 ZINC001233036978 1038793695 /nfs/dbraw/zinc/79/36/95/1038793695.db2.gz UNYLUVVRLVGBQX-DNVCBOLYSA-N -1 3 399.894 3.612 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)c2cc(C)ccc21 ZINC001233394890 1039227848 /nfs/dbraw/zinc/22/78/48/1039227848.db2.gz DVQYZKDDWHKBGN-UHFFFAOYSA-N -1 3 386.442 3.879 20 0 GHADHM [O-]c1ccc(F)c(CN2CCN(c3ccc(Br)cc3)CC2)c1F ZINC001233393633 1039228637 /nfs/dbraw/zinc/22/86/37/1039228637.db2.gz FAMNDRNSQHRYIS-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM COc1ccc(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1[O-] ZINC001233398102 1039233274 /nfs/dbraw/zinc/23/32/74/1039233274.db2.gz YJQHOFLTEPCWDR-UHFFFAOYSA-N -1 3 396.915 3.887 20 0 GHADHM COc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(Cl)c1[O-] ZINC001233401712 1039243225 /nfs/dbraw/zinc/24/32/25/1039243225.db2.gz KWNRTFVZHAZNGX-TZMCWYRMSA-N -1 3 384.904 3.932 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCN(c2ncc(Br)cn2)C1 ZINC001233592358 1039463576 /nfs/dbraw/zinc/46/35/76/1039463576.db2.gz LXQLBVMQJCERNY-LLVKDONJSA-N -1 3 384.661 3.564 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2cccc([O-])c2Cl)cc1 ZINC001253427228 1039623383 /nfs/dbraw/zinc/62/33/83/1039623383.db2.gz XOUBJULTGDVSJL-HNNXBMFYSA-N -1 3 377.868 3.973 20 0 GHADHM CC[C@@H](C)N1CC[C@]2(CCN(Cc3cc(F)c([O-])c(Br)c3)C2)C1=O ZINC001277830055 1039815092 /nfs/dbraw/zinc/81/50/92/1039815092.db2.gz MMPHRYBBQPKALK-XIKOKIGWSA-N -1 3 399.304 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2Oc1c(Cl)ccc([O-])c1F ZINC001234266148 1039945572 /nfs/dbraw/zinc/94/55/72/1039945572.db2.gz ZAWGASNIFKFVIR-ACJLOTCBSA-N -1 3 387.835 3.732 20 0 GHADHM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001254166853 1040018829 /nfs/dbraw/zinc/01/88/29/1040018829.db2.gz PHARTBTWCWLVDW-UHFFFAOYSA-N -1 3 381.469 3.885 20 0 GHADHM COc1cc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC001254334020 1040173802 /nfs/dbraw/zinc/17/38/02/1040173802.db2.gz AIPKLIJSRPODBN-UHFFFAOYSA-N -1 3 395.786 3.552 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2C[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1C(C)=O ZINC001234789125 1040318995 /nfs/dbraw/zinc/31/89/95/1040318995.db2.gz FWTUJOGRJQOHMM-OKILXGFUSA-N -1 3 379.453 3.689 20 0 GHADHM O=C1C[C@@]2(CN1CC(F)(F)F)CCCCN2Cc1cccc([O-])c1Cl ZINC001277919618 1040543554 /nfs/dbraw/zinc/54/35/54/1040543554.db2.gz ZEQUFFFWWSKPCT-MRXNPFEDSA-N -1 3 376.806 3.565 20 0 GHADHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1F ZINC001254967472 1040696555 /nfs/dbraw/zinc/69/65/55/1040696555.db2.gz MDQGYRXNKNALTN-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC[C@]1(CCc2ccccc2)CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001235266553 1040746044 /nfs/dbraw/zinc/74/60/44/1040746044.db2.gz NUGUURPWHRWURE-GOSISDBHSA-N -1 3 395.429 3.911 20 0 GHADHM O=S(=O)([N-]c1c(O)c(Br)ccc1Cl)c1cccc(F)c1 ZINC001255661751 1041198953 /nfs/dbraw/zinc/19/89/53/1041198953.db2.gz PAQDKZUTQXTAIF-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM [O-]c1cc(CN2CCN[C@@H](c3cccc(Br)c3)C2)cc(F)c1F ZINC001235796692 1041299103 /nfs/dbraw/zinc/29/91/03/1041299103.db2.gz CNVGYYDXWANYCN-OAHLLOKOSA-N -1 3 383.236 3.579 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1cccc([O-])c1Cl)C2 ZINC001278910827 1041526800 /nfs/dbraw/zinc/52/68/00/1041526800.db2.gz PMBOCSXMJGHGNF-UHFFFAOYSA-N -1 3 377.941 3.909 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2Br)CC1)c1ccc(F)cc1F ZINC001256102530 1041529467 /nfs/dbraw/zinc/52/94/67/1041529467.db2.gz MVWJUBQDPXPSOO-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]12CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236682463 1041828483 /nfs/dbraw/zinc/82/84/83/1041828483.db2.gz ASPKQZIWNQZJBQ-GOSISDBHSA-N -1 3 397.313 3.740 20 0 GHADHM CCOC[C@H]1CN(Cc2ccc(Br)c([O-])c2)Cc2cnn(CC)c21 ZINC001236683735 1041829131 /nfs/dbraw/zinc/82/91/31/1041829131.db2.gz HKEVPDVAUUQZBS-OAHLLOKOSA-N -1 3 394.313 3.507 20 0 GHADHM CCOC[C@H]1COCCC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236686134 1041831134 /nfs/dbraw/zinc/83/11/34/1041831134.db2.gz UDSSVFMSEQANIL-INIZCTEOSA-N -1 3 398.341 3.810 20 0 GHADHM C[C@@H]1CN(Cc2ccc(Br)c([O-])c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001236691951 1041834893 /nfs/dbraw/zinc/83/48/93/1041834893.db2.gz MSWQSHURLQHVLZ-CYBMUJFWSA-N -1 3 399.329 3.844 20 0 GHADHM COc1ccc(O[C@@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)nc1 ZINC001236696426 1041837882 /nfs/dbraw/zinc/83/78/82/1041837882.db2.gz SSDZWYAJHCVJOP-OAHLLOKOSA-N -1 3 393.281 3.602 20 0 GHADHM [O-]c1cc(CN2CCC(Oc3ccc(Cl)nn3)CC2)ccc1Br ZINC001236698495 1041838842 /nfs/dbraw/zinc/83/88/42/1041838842.db2.gz MCQUJTUJATWSBC-UHFFFAOYSA-N -1 3 398.688 3.642 20 0 GHADHM Cc1cccc(N2CCC[C@@]3(CN(Cc4sc(=O)[n-]c4Cl)CCO3)C2)c1 ZINC001237150399 1042065833 /nfs/dbraw/zinc/06/58/33/1042065833.db2.gz PKQACNUIPZYNBJ-LJQANCHMSA-N -1 3 393.940 3.682 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3ccc(Br)cc3)CC2)s1 ZINC001237158925 1042070982 /nfs/dbraw/zinc/07/09/82/1042070982.db2.gz RTBFIFIDMIPBGO-UHFFFAOYSA-N -1 3 388.718 3.587 20 0 GHADHM Cc1cccc(COCc2cnc3n2CCN(Cc2cc([O-])cc(F)c2)[C@@H]3C)n1 ZINC001237280151 1042120887 /nfs/dbraw/zinc/12/08/87/1042120887.db2.gz XLHZIHCQWRZJLF-MRXNPFEDSA-N -1 3 396.466 3.725 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])cc(F)c2)C[C@@H]1C(F)(F)F ZINC001237285820 1042124070 /nfs/dbraw/zinc/12/40/70/1042124070.db2.gz CTBCRIPWAWUQNZ-CQSZACIVSA-N -1 3 378.366 3.515 20 0 GHADHM CCN(Cc1ccc(Sc2ccccn2)o1)Cc1c([O-])c(C)ncc1CO ZINC001462594749 1070398336 /nfs/dbraw/zinc/39/83/36/1070398336.db2.gz MELPFCXKSXBRPA-UHFFFAOYSA-N -1 3 385.489 3.749 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1N ZINC001237957521 1042437609 /nfs/dbraw/zinc/43/76/09/1042437609.db2.gz JTMAFUQCJWNPPM-UHFFFAOYSA-N -1 3 384.457 3.657 20 0 GHADHM Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cc(Cl)c([O-])cc4F)CCN3C2)cc1 ZINC001238147781 1042504403 /nfs/dbraw/zinc/50/44/03/1042504403.db2.gz LSEWHMJYAXBSIA-FUHWJXTLSA-N -1 3 390.886 3.831 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233460 1042527380 /nfs/dbraw/zinc/52/73/80/1042527380.db2.gz METVXTMTDUFMBK-ZIAGYGMSSA-N -1 3 380.460 3.649 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc2N1)c1ccc(F)cc1C(F)(F)F ZINC001238778039 1042724524 /nfs/dbraw/zinc/72/45/24/1042724524.db2.gz NLSMRTJGRCSBSN-ZDUSSCGKSA-N -1 3 388.386 3.550 20 0 GHADHM O=C(NCc1cc(Br)cs1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001291662940 1043380684 /nfs/dbraw/zinc/38/06/84/1043380684.db2.gz CFFZSNNAGHBCDT-UHFFFAOYSA-N -1 3 399.216 3.560 20 0 GHADHM COC(=O)Nc1ccc(OC(=O)c2cc(Br)c(F)cc2[O-])cc1 ZINC001291663860 1043382019 /nfs/dbraw/zinc/38/20/19/1043382019.db2.gz SKGXRLXKQUXNCO-UHFFFAOYSA-N -1 3 384.157 3.691 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCc1ccccc1 ZINC001256555808 1043524635 /nfs/dbraw/zinc/52/46/35/1043524635.db2.gz TTZCACDODHIWHM-CYBMUJFWSA-N -1 3 387.910 3.592 20 0 GHADHM O=C(NCC1(c2ccc(Br)cc2)CCC1)c1cccc2n[n-]nc21 ZINC001291944434 1043540116 /nfs/dbraw/zinc/54/01/16/1043540116.db2.gz AHPUAIJTOGADFD-UHFFFAOYSA-N -1 3 385.265 3.572 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1)c1cccc2ccccc21 ZINC001256979716 1043781420 /nfs/dbraw/zinc/78/14/20/1043781420.db2.gz QCSWIPQNYKSLBN-FQEVSTJZSA-N -1 3 383.469 3.731 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)c(F)c1F ZINC001462770945 1070535127 /nfs/dbraw/zinc/53/51/27/1070535127.db2.gz HIFHCKRYGNNJAH-SNVBAGLBSA-N -1 3 377.359 3.914 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnn1)c1cccc(Cl)c1Cl ZINC001257306134 1043961102 /nfs/dbraw/zinc/96/11/02/1043961102.db2.gz IDZKERHIBFZUPW-KRWDZBQOSA-N -1 3 394.283 3.851 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccc1F)C1CC1)c1cccc(Cl)c1Cl ZINC001257306511 1043961376 /nfs/dbraw/zinc/96/13/76/1043961376.db2.gz NYIVRBKZYDLMST-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(F)c1)C1CC1)c1cccc(Cl)c1Cl ZINC001257300804 1043961536 /nfs/dbraw/zinc/96/15/36/1043961536.db2.gz QCAHDKDYWCHMKS-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1c(F)cccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257527952 1044033694 /nfs/dbraw/zinc/03/36/94/1044033694.db2.gz GVVIVAOCJBFXQX-LLVKDONJSA-N -1 3 384.281 3.514 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1F ZINC001257628228 1044092021 /nfs/dbraw/zinc/09/20/21/1044092021.db2.gz JKWXFWUYINTFKU-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC(C)C(=O)Nc1cccc(OC(=O)c2c[n-]cc3nc(C(F)(F)F)nc2-3)c1 ZINC001293298238 1044098559 /nfs/dbraw/zinc/09/85/59/1044098559.db2.gz BGSFFNPGYCBSDN-UHFFFAOYSA-N -1 3 392.337 3.790 20 0 GHADHM O=S(=O)([N-][C@H](CO)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl ZINC001257780454 1044167755 /nfs/dbraw/zinc/16/77/55/1044167755.db2.gz RFCUXDLGFLSZGA-LBPRGKRZSA-N -1 3 394.707 3.529 20 0 GHADHM O=S(=O)([N-]CC1(CC2CC2)CCOCC1)c1c(Cl)cccc1Cl ZINC001257790856 1044174083 /nfs/dbraw/zinc/17/40/83/1044174083.db2.gz LLRBEMFTJXIJQZ-UHFFFAOYSA-N -1 3 378.321 3.869 20 0 GHADHM COc1ccnc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC001257790996 1044174576 /nfs/dbraw/zinc/17/45/76/1044174576.db2.gz NIBWNDFFJVBKQY-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c([O-])c1 ZINC001293451302 1044186655 /nfs/dbraw/zinc/18/66/55/1044186655.db2.gz QLDIPBZHILCQBD-NRFANRHFSA-N -1 3 388.467 3.705 20 0 GHADHM CCO[C@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1(CC)CC ZINC001294130868 1044487329 /nfs/dbraw/zinc/48/73/29/1044487329.db2.gz PJANYCNXERXBRI-CVEARBPZSA-N -1 3 376.884 3.895 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001294364128 1044591720 /nfs/dbraw/zinc/59/17/20/1044591720.db2.gz DSQKNLIVYABBOA-UHFFFAOYSA-N -1 3 379.294 3.727 20 0 GHADHM Cc1c(Br)cnc(Cl)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258942597 1044898955 /nfs/dbraw/zinc/89/89/55/1044898955.db2.gz VSNAFFSYZBAGAW-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1F)C(=O)C2 ZINC001258972620 1044912342 /nfs/dbraw/zinc/91/23/42/1044912342.db2.gz HNBADAPYMWVZBG-QFYYESIMSA-N -1 3 393.402 3.982 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc2ccccc21 ZINC001258974216 1044914254 /nfs/dbraw/zinc/91/42/54/1044914254.db2.gz VFNGQYSQBMCUBZ-BTYIYWSLSA-N -1 3 387.501 3.986 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(Cl)ccc21)c1ccc(Br)s1 ZINC001259061906 1044943170 /nfs/dbraw/zinc/94/31/70/1044943170.db2.gz GKXUOROFAUPDAD-VIFPVBQESA-N -1 3 394.699 3.576 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ncco2)cc1)c1ccc(Br)s1 ZINC001259063151 1044943809 /nfs/dbraw/zinc/94/38/09/1044943809.db2.gz VQVKARQSBPUKQM-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM O=S(=O)([N-]c1c(O)c(Br)ccc1Cl)c1ccc(F)c(F)c1 ZINC001259092132 1044957350 /nfs/dbraw/zinc/95/73/50/1044957350.db2.gz AGCQUPZTWSZDLK-UHFFFAOYSA-N -1 3 398.612 3.887 20 0 GHADHM C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295401751 1044999835 /nfs/dbraw/zinc/99/98/35/1044999835.db2.gz XOIBZOGGROKJHL-INIZCTEOSA-N -1 3 398.503 3.874 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1Br ZINC001259197301 1045003139 /nfs/dbraw/zinc/00/31/39/1045003139.db2.gz SPOVJTHFAITGPC-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)nc1Cl)c1cc(F)cc(F)c1 ZINC001259306401 1045069009 /nfs/dbraw/zinc/06/90/09/1045069009.db2.gz XFINILOVBIXMOV-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1OC(F)(F)F)c1ccc2c(c1)CCO2 ZINC001259356754 1045096833 /nfs/dbraw/zinc/09/68/33/1045096833.db2.gz XLSLDZIWKXWFFJ-UHFFFAOYSA-N -1 3 393.770 3.974 20 0 GHADHM Cc1ccc(Br)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259356689 1045097644 /nfs/dbraw/zinc/09/76/44/1045097644.db2.gz SHMQUZHETCITKZ-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM O=S(=O)([N-]c1ccsc1Br)c1ccc2ncsc2c1 ZINC001259391475 1045117848 /nfs/dbraw/zinc/11/78/48/1045117848.db2.gz MVWJZWGLYKVMII-UHFFFAOYSA-N -1 3 375.294 3.921 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCC(C)(C)c2ccccc2)c1 ZINC001462889836 1070629167 /nfs/dbraw/zinc/62/91/67/1070629167.db2.gz CGCVKZGXYIUGPD-UHFFFAOYSA-N -1 3 393.480 3.567 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1cccc(OC(F)F)c1 ZINC001259446601 1045162700 /nfs/dbraw/zinc/16/27/00/1045162700.db2.gz JISYUALLXRJIFD-UHFFFAOYSA-N -1 3 394.193 3.557 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)cc1F ZINC001259480799 1045192313 /nfs/dbraw/zinc/19/23/13/1045192313.db2.gz QQGGYDYYMVLQDS-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c(Br)cc1Cl)c1cccnc1 ZINC001259609249 1045242773 /nfs/dbraw/zinc/24/27/73/1045242773.db2.gz RKKMZJPOMRWEJX-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2cc(C)ccc2F)cc1F ZINC001259637886 1045252243 /nfs/dbraw/zinc/25/22/43/1045252243.db2.gz YWFZHKCZECNLQQ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1[O-] ZINC001296283308 1045294782 /nfs/dbraw/zinc/29/47/82/1045294782.db2.gz OMPVBRVXADRMPE-JTQLQIEISA-N -1 3 399.203 3.953 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001259780118 1045300759 /nfs/dbraw/zinc/30/07/59/1045300759.db2.gz JEVRHEPSJAPUFT-UHFFFAOYSA-N -1 3 384.301 3.502 20 0 GHADHM CCOC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCc2ccccc2F)c1 ZINC001259787494 1045305035 /nfs/dbraw/zinc/30/50/35/1045305035.db2.gz ZWLBURJGBXDOGS-UHFFFAOYSA-N -1 3 385.844 3.640 20 0 GHADHM COc1cc(NC(=O)c2ccccc2)c(C)cc1[N-]S(=O)(=O)C1CCCC1 ZINC001259801987 1045308902 /nfs/dbraw/zinc/30/89/02/1045308902.db2.gz SZNYHLICJAVQOM-UHFFFAOYSA-N -1 3 388.489 3.940 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C1CCCCC1)c1cccc2ccccc21 ZINC001259817258 1045313337 /nfs/dbraw/zinc/31/33/37/1045313337.db2.gz DVHAPJDZBHWMQI-LJQANCHMSA-N -1 3 375.490 3.696 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1c(F)cccc1OC[C@H]1CCCO1 ZINC001260023453 1045359879 /nfs/dbraw/zinc/35/98/79/1045359879.db2.gz HBSKAFSYWZVURU-MRXNPFEDSA-N -1 3 379.453 3.634 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1ccc(Oc2ccccn2)cc1 ZINC001260141009 1045394375 /nfs/dbraw/zinc/39/43/75/1045394375.db2.gz YMNZMOORTFGJAI-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)cc1F ZINC001462911690 1070653601 /nfs/dbraw/zinc/65/36/01/1070653601.db2.gz MKWHYDAHROUBGD-GFCCVEGCSA-N -1 3 385.432 3.800 20 0 GHADHM COc1ccnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1 ZINC001260432824 1045494164 /nfs/dbraw/zinc/49/41/64/1045494164.db2.gz ZHGPTKGABRYDKD-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-]c1cnc(Br)c(Cl)c1 ZINC001260622502 1045575945 /nfs/dbraw/zinc/57/59/45/1045575945.db2.gz KWOASEQDKLEPCB-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001297613325 1045588516 /nfs/dbraw/zinc/58/85/16/1045588516.db2.gz MQNJRIZVTAMKNY-SCLBCKFNSA-N -1 3 392.908 3.935 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1C ZINC001260718244 1045624613 /nfs/dbraw/zinc/62/46/13/1045624613.db2.gz WJCRPCUJCBWUFG-UHFFFAOYSA-N -1 3 388.489 3.858 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccsc1Br ZINC001260766335 1045647485 /nfs/dbraw/zinc/64/74/85/1045647485.db2.gz SMQMQRCBRIJYMU-UHFFFAOYSA-N -1 3 376.297 3.937 20 0 GHADHM CCCOc1c(OC)cc(CCNC(=O)c2ccc(CC)cc2[O-])cc1OC ZINC001298022750 1045678584 /nfs/dbraw/zinc/67/85/84/1045678584.db2.gz POQOAPCKZPQUTG-UHFFFAOYSA-N -1 3 387.476 3.733 20 0 GHADHM O=c1ccc2cccc([N-]S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC001260897744 1045755726 /nfs/dbraw/zinc/75/57/26/1045755726.db2.gz XLJJYLXFLBAKPE-UHFFFAOYSA-N 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3 386.389 3.714 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(OC(F)F)cc1OC(F)F)CC2 ZINC001262156301 1046202061 /nfs/dbraw/zinc/20/20/61/1046202061.db2.gz MTMLPGOHVNSLCR-LBPRGKRZSA-N -1 3 377.334 3.576 20 0 GHADHM Cc1cc(Br)ccc1SCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001262809197 1046355142 /nfs/dbraw/zinc/35/51/42/1046355142.db2.gz XJJSVNLVUGROGP-UHFFFAOYSA-N -1 3 393.266 3.866 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc2c(c1)CCCO2 ZINC001301202158 1046401347 /nfs/dbraw/zinc/40/13/47/1046401347.db2.gz ZGKROURXCPSKSK-LLVKDONJSA-N -1 3 384.382 3.622 20 0 GHADHM Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCCc3c[n-][nH]c3=O)c2c1 ZINC001301570565 1046603873 /nfs/dbraw/zinc/60/38/73/1046603873.db2.gz HFGPDFNFUUOOGX-CQSZACIVSA-N -1 3 392.484 3.514 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CC3CCC3)cs2)c1 ZINC001301803128 1046714663 /nfs/dbraw/zinc/71/46/63/1046714663.db2.gz SZGLUCJQDWSZIT-CYBMUJFWSA-N -1 3 387.505 3.647 20 0 GHADHM O=C([N-]Cc1ccnc(Br)c1)C(F)(F)c1cccc(Cl)c1 ZINC001301865695 1046728296 /nfs/dbraw/zinc/72/82/96/1046728296.db2.gz NLXMYKVHYNYDSG-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM O=C(C/C=C\Cc1ccccc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001301895699 1046750556 /nfs/dbraw/zinc/75/05/56/1046750556.db2.gz ZPKVXPGNDRDLQS-PLNGDYQASA-N -1 3 398.264 3.757 20 0 GHADHM O=C(C/C=C\Cc1ccccc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001301895699 1046750571 /nfs/dbraw/zinc/75/05/71/1046750571.db2.gz ZPKVXPGNDRDLQS-PLNGDYQASA-N -1 3 398.264 3.757 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cccc2cc[nH]c21 ZINC001302291527 1046902272 /nfs/dbraw/zinc/90/22/72/1046902272.db2.gz JPEATWXZXRMNLU-UHFFFAOYSA-N -1 3 389.415 3.713 20 0 GHADHM COc1cc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)ccc1C ZINC001463139709 1070844426 /nfs/dbraw/zinc/84/44/26/1070844426.db2.gz PTKJSBGMQDENCL-UHFFFAOYSA-N -1 3 377.437 3.718 20 0 GHADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3cccc4ccccc43)cs2)n1 ZINC001264022142 1047217843 /nfs/dbraw/zinc/21/78/43/1047217843.db2.gz UMAGSXIRNWAHFR-UHFFFAOYSA-N -1 3 378.461 3.957 20 0 GHADHM CCc1ccc(Br)cc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256533 1047326237 /nfs/dbraw/zinc/32/62/37/1047326237.db2.gz JPKRVWSPXDTCGE-UHFFFAOYSA-N -1 3 388.265 3.541 20 0 GHADHM Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001303406403 1047385085 /nfs/dbraw/zinc/38/50/85/1047385085.db2.gz DIPUJQVWFRMQTL-UHFFFAOYSA-N -1 3 391.349 3.867 20 0 GHADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001463189964 1070898362 /nfs/dbraw/zinc/89/83/62/1070898362.db2.gz YUZOMFLTVUNRFI-HNNXBMFYSA-N -1 3 388.514 3.864 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC1(C)C ZINC001303640640 1047463055 /nfs/dbraw/zinc/46/30/55/1047463055.db2.gz KZQPZPSJJHCZMB-GOSISDBHSA-N -1 3 384.476 3.921 20 0 GHADHM COC(=O)c1cc(NC(=O)CCOc2ccccc2C(C)C)c([O-])c(OC)c1 ZINC001304504762 1047695145 /nfs/dbraw/zinc/69/51/45/1047695145.db2.gz HNBLFBSTFWDDPU-UHFFFAOYSA-N -1 3 387.432 3.718 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1cccc(F)c1 ZINC001463249690 1070939671 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20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)Cc3ccc(Cl)nc3C)n[n-]2)cc1 ZINC001305445174 1048056991 /nfs/dbraw/zinc/05/69/91/1048056991.db2.gz IPSJTTXJHPNEKL-UHFFFAOYSA-N -1 3 387.896 3.943 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)CCOc3ccccc3)nc21 ZINC001463314157 1070981862 /nfs/dbraw/zinc/98/18/62/1070981862.db2.gz OTAUGOBADMWYAL-CQSZACIVSA-N -1 3 381.432 3.783 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3CC)n2)cc1 ZINC001463327856 1070989476 /nfs/dbraw/zinc/98/94/76/1070989476.db2.gz LTZNUIKHNDGYOP-AWEZNQCLSA-N -1 3 385.489 3.901 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cccc(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000751181651 1048869427 /nfs/dbraw/zinc/86/94/27/1048869427.db2.gz CGGXGHLARCJYQB-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cccnc2OCC(F)F)c([O-])c1 ZINC001306818103 1048912925 /nfs/dbraw/zinc/91/29/25/1048912925.db2.gz PVALBPSLKAJNJY-UHFFFAOYSA-N -1 3 380.391 3.540 20 0 GHADHM Cc1[nH]nc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1-c1ccccc1F ZINC001306885701 1048944457 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3.984 20 0 GHADHM O=S(=O)([N-]CC1(C2CC2)CCC1)c1cc(Br)ccc1Cl ZINC001309334001 1050603608 /nfs/dbraw/zinc/60/36/08/1050603608.db2.gz HJJXRJSQEDJDKZ-UHFFFAOYSA-N -1 3 378.719 3.961 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2OC(F)F)s1 ZINC001309361635 1050638080 /nfs/dbraw/zinc/63/80/80/1050638080.db2.gz UPUSRJFUTNVIPR-SSDOTTSWSA-N -1 3 382.841 3.746 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001309370046 1050646758 /nfs/dbraw/zinc/64/67/58/1050646758.db2.gz NJOQEKYYTDFRPO-ZBFHGGJFSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CSC2(C)C)c(Br)c1 ZINC001309431869 1050710524 /nfs/dbraw/zinc/71/05/24/1050710524.db2.gz IBBALCQOOVMOOB-SNVBAGLBSA-N -1 3 384.748 3.583 20 0 GHADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC001309518876 1050779539 /nfs/dbraw/zinc/77/95/39/1050779539.db2.gz GHYPNMDVNDEWGQ-UHFFFAOYSA-N -1 3 384.270 3.752 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCC(=O)OC(C)(C)C)c2)n1 ZINC001329522941 1050826267 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GHADHM CC(C)N(C)c1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cn1 ZINC001331934468 1051416414 /nfs/dbraw/zinc/41/64/14/1051416414.db2.gz RQXQCGVSTRHWEK-MSOLQXFVSA-N -1 3 389.446 3.505 20 0 GHADHM C[C@H](NC(=O)Nc1cc(Cl)ccc1OC(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001310909758 1051696492 /nfs/dbraw/zinc/69/64/92/1051696492.db2.gz CTJMYNNGROTAFT-YFKPBYRVSA-N -1 3 399.707 3.961 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001334420609 1051942382 /nfs/dbraw/zinc/94/23/82/1051942382.db2.gz QUZYTHVCIGQMEY-UHFFFAOYSA-N -1 3 391.924 3.860 20 0 GHADHM [O-]c1ccc(CNc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)cc1F ZINC001335552894 1052129839 /nfs/dbraw/zinc/12/98/39/1052129839.db2.gz XZNKQIHZURXFGE-CYBMUJFWSA-N -1 3 395.272 3.725 20 0 GHADHM O=C(NC1CCC2(CCCCC2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001312502728 1052769278 /nfs/dbraw/zinc/76/92/78/1052769278.db2.gz NGKYGSSBIWXBOW-UHFFFAOYSA-N -1 3 399.535 3.753 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001312864632 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/nfs/dbraw/zinc/29/03/45/1057290345.db2.gz ZJIQOIZURIFHJC-AREMUKBSSA-N -1 3 376.474 3.678 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)o1 ZINC001355883088 1057304841 /nfs/dbraw/zinc/30/48/41/1057304841.db2.gz ZETYUUYOCXKURM-TWGQIWQCSA-N -1 3 383.429 3.853 20 0 GHADHM CCOCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)o1 ZINC001326315368 1057453970 /nfs/dbraw/zinc/45/39/70/1057453970.db2.gz OLIDYZHCMAYFQK-UHFFFAOYSA-N -1 3 387.461 3.691 20 0 GHADHM CCOC(=O)c1oc([N-][C@H](c2ccccc2F)[C@@H](C)O)nc1C(F)(F)F ZINC001337906570 1058322564 /nfs/dbraw/zinc/32/25/64/1058322564.db2.gz JQVYDYMBSDQJAF-KCJUWKMLSA-N -1 3 376.306 3.543 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(F)(F)c3ccc(F)cc3)nc21 ZINC001439997609 1058380612 /nfs/dbraw/zinc/38/06/12/1058380612.db2.gz NIARHWWHMBRUQO-UHFFFAOYSA-N -1 3 377.322 3.609 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC001440648977 1058557428 /nfs/dbraw/zinc/55/74/28/1058557428.db2.gz AUHPXBCJSUHPBG-AWEZNQCLSA-N -1 3 397.500 3.530 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001441478428 1058790933 /nfs/dbraw/zinc/79/09/33/1058790933.db2.gz CQOXFGXJBFIUBM-QGZVFWFLSA-N -1 3 384.476 3.552 20 0 GHADHM CN(C(=O)Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)c1ccccc1 ZINC001441822569 1058873021 /nfs/dbraw/zinc/87/30/21/1058873021.db2.gz YIHHMCFHTGCQGR-UHFFFAOYSA-N -1 3 392.430 3.918 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])N(C)C)cc1 ZINC001442471867 1058965579 /nfs/dbraw/zinc/96/55/79/1058965579.db2.gz UGFBATQGFMONBE-FQEVSTJZSA-N -1 3 392.455 3.806 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001339240654 1059034447 /nfs/dbraw/zinc/03/44/47/1059034447.db2.gz PPLSSSQBGQFWGJ-GOSISDBHSA-N -1 3 378.480 3.727 20 0 GHADHM Cc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1C(=O)NC(C)C ZINC001443726088 1059184908 /nfs/dbraw/zinc/18/49/08/1059184908.db2.gz FTNGBSKBVYTYNM-UHFFFAOYSA-N -1 3 391.265 3.854 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC001445290592 1059496318 /nfs/dbraw/zinc/49/63/18/1059496318.db2.gz MDFOWTJPEMJXRK-UHFFFAOYSA-N -1 3 394.456 3.828 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccc(C(F)(F)F)c(Cl)n3)CC2)n1 ZINC001339828124 1059504782 /nfs/dbraw/zinc/50/47/82/1059504782.db2.gz FKIWEPHDVSKBKK-UHFFFAOYSA-N -1 3 387.793 3.639 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(Cl)c(F)c1 ZINC001446298483 1059749338 /nfs/dbraw/zinc/74/93/38/1059749338.db2.gz WWUCTKZKUCJYIG-KRWDZBQOSA-N -1 3 379.815 3.952 20 0 GHADHM CC(C)c1cccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001340206497 1059764194 /nfs/dbraw/zinc/76/41/94/1059764194.db2.gz ZEGQXFZTEZTTOX-UHFFFAOYSA-N -1 3 379.457 3.642 20 0 GHADHM CCc1cccc(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)c1[O-] ZINC001545985430 1059771870 /nfs/dbraw/zinc/77/18/70/1059771870.db2.gz BLIVNAHISLWKPQ-UHFFFAOYSA-N -1 3 382.382 3.956 20 0 GHADHM COC(=O)CCSc1ncccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001446790627 1059861010 /nfs/dbraw/zinc/86/10/10/1059861010.db2.gz UGCIKFAMTSJCSU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/71/37/53/1060713753.db2.gz QQAGBTPLWBFBEP-UHFFFAOYSA-N -1 3 394.287 3.828 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450901986 1060713768 /nfs/dbraw/zinc/71/37/68/1060713768.db2.gz QQAGBTPLWBFBEP-UHFFFAOYSA-N -1 3 394.287 3.828 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001450918852 1060717842 /nfs/dbraw/zinc/71/78/42/1060717842.db2.gz JTNAJDASSCQAGO-UHFFFAOYSA-N -1 3 397.744 3.595 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001450918852 1060717851 /nfs/dbraw/zinc/71/78/51/1060717851.db2.gz JTNAJDASSCQAGO-UHFFFAOYSA-N -1 3 397.744 3.595 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc(-c3ccccc3F)s2)[n-]n1 ZINC001452104394 1060901948 /nfs/dbraw/zinc/90/19/48/1060901948.db2.gz DUHIYILGENJELX-UHFFFAOYSA-N -1 3 388.424 3.880 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc(-c3ccccc3F)s2)n[n-]1 ZINC001452104394 1060901953 /nfs/dbraw/zinc/90/19/53/1060901953.db2.gz DUHIYILGENJELX-UHFFFAOYSA-N -1 3 388.424 3.880 20 0 GHADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]1 ZINC001452328578 1060924689 /nfs/dbraw/zinc/92/46/89/1060924689.db2.gz BVDQXLVVNPEMSR-WPRPVWTQSA-N -1 3 392.337 3.526 20 0 GHADHM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001452478248 1060944493 /nfs/dbraw/zinc/94/44/93/1060944493.db2.gz DJQKPPPBVKOQOO-RXVVDRJESA-N -1 3 399.462 3.541 20 0 GHADHM COc1c(C)cc(Cl)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001453649881 1061175859 /nfs/dbraw/zinc/17/58/59/1061175859.db2.gz YVHHVIGPYAMMAF-UHFFFAOYSA-N -1 3 398.850 3.704 20 0 GHADHM C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC001453670832 1061176440 /nfs/dbraw/zinc/17/64/40/1061176440.db2.gz AJXQRPAQBIJLOW-HXPMCKFVSA-N -1 3 383.835 3.591 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC001454311633 1061711384 /nfs/dbraw/zinc/71/13/84/1061711384.db2.gz IHZUAAOKYJWZCR-UHFFFAOYSA-N -1 3 395.488 3.888 20 0 GHADHM C[C@@H](C1CC1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC001454728986 1061925109 /nfs/dbraw/zinc/92/51/09/1061925109.db2.gz CLCHKCOTLHRWIA-LBPRGKRZSA-N -1 3 398.937 3.512 20 0 GHADHM C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cc([O-])cc(Br)c1 ZINC001454963352 1061961799 /nfs/dbraw/zinc/96/17/99/1061961799.db2.gz KCQVOTHBUJXRKA-QGZVFWFLSA-N -1 3 398.684 3.532 20 0 GHADHM COc1ccc(F)cc1-c1csc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC001545766845 1061990032 /nfs/dbraw/zinc/99/00/32/1061990032.db2.gz BWNDHMNCYSYITH-UHFFFAOYSA-N -1 3 376.384 3.984 20 0 GHADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001545871446 1062054353 /nfs/dbraw/zinc/05/43/53/1062054353.db2.gz OPXDNISBYDSRNK-AZUAARDMSA-N -1 3 396.516 3.812 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCCCC1)C(F)(F)F)c1c[nH]c(C(F)(F)F)c1 ZINC001347281077 1062266220 /nfs/dbraw/zinc/26/62/20/1062266220.db2.gz HWQDXYGNHBJKMM-NSHDSACASA-N -1 3 378.338 3.823 20 0 GHADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2ncc(C(F)(F)F)s2)n1 ZINC001347582681 1062507464 /nfs/dbraw/zinc/50/74/64/1062507464.db2.gz GCGXUQJKZKVOPB-UHFFFAOYSA-N -1 3 393.412 3.711 20 0 GHADHM Cc1nc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CC(C)C)cc(=O)[n-]1 ZINC001347659473 1062557048 /nfs/dbraw/zinc/55/70/48/1062557048.db2.gz XUXJYCDGEDGFRR-UHFFFAOYSA-N -1 3 398.433 3.574 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)[n-]n1 ZINC001456798990 1062861520 /nfs/dbraw/zinc/86/15/20/1062861520.db2.gz NUIOQQFWJRHGFE-VVOJOOEHSA-N -1 3 393.418 3.775 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)n[n-]1 ZINC001456798990 1062861569 /nfs/dbraw/zinc/86/15/69/1062861569.db2.gz NUIOQQFWJRHGFE-VVOJOOEHSA-N -1 3 393.418 3.775 20 0 GHADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001456948720 1062927703 /nfs/dbraw/zinc/92/77/03/1062927703.db2.gz NYKNQHRYWGULTC-SNRMKQJTSA-N -1 3 395.503 3.967 20 0 GHADHM Cc1nc(-c2nnc(N3CCC(c4ccccc4)CC3)n2CC2CC2)cc(=O)[n-]1 ZINC001348179641 1062946712 /nfs/dbraw/zinc/94/67/12/1062946712.db2.gz SGSHMXLQWUBJHL-UHFFFAOYSA-N -1 3 390.491 3.543 20 0 GHADHM CCCCc1nc(NC(=O)C=C(C)c2ccccc2OC)c(C(=O)OCC)[n-]1 ZINC001435886653 1062981753 /nfs/dbraw/zinc/98/17/53/1062981753.db2.gz FBULYMTWXZHSAR-YPKPFQOOSA-N -1 3 385.464 3.980 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC001435933408 1063009388 /nfs/dbraw/zinc/00/93/88/1063009388.db2.gz LTCRYINLTPDEPG-ONEGZZNKSA-N -1 3 397.214 3.547 20 0 GHADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)ccc1C1CC1 ZINC001435954668 1063031131 /nfs/dbraw/zinc/03/11/31/1063031131.db2.gz HAKSRCWOMGTTGC-UHFFFAOYSA-N -1 3 390.480 3.951 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)[n-]n1 ZINC001348756874 1063309585 /nfs/dbraw/zinc/30/95/85/1063309585.db2.gz CEEDTLLSPOGBNZ-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)n[n-]1 ZINC001348756874 1063309598 /nfs/dbraw/zinc/30/95/98/1063309598.db2.gz CEEDTLLSPOGBNZ-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC001436230357 1063311044 /nfs/dbraw/zinc/31/10/44/1063311044.db2.gz LKXUINOUVMDHIG-UHFFFAOYSA-N -1 3 382.854 3.595 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC001436230357 1063311069 /nfs/dbraw/zinc/31/10/69/1063311069.db2.gz LKXUINOUVMDHIG-UHFFFAOYSA-N -1 3 382.854 3.595 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc3c(s1)CC(C)(C)CC3)c2=O ZINC001457861023 1063403001 /nfs/dbraw/zinc/40/30/01/1063403001.db2.gz IJQKLLYPAGKWRK-UHFFFAOYSA-N -1 3 383.473 3.760 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001458190583 1063641485 /nfs/dbraw/zinc/64/14/85/1063641485.db2.gz IVPIHKFTEUBTGC-OAHLLOKOSA-N -1 3 379.851 3.874 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC=CCCC1)C(F)(F)F ZINC001436917098 1063705256 /nfs/dbraw/zinc/70/52/56/1063705256.db2.gz ZJPGKIUMFNWHCE-ZBFHGGJFSA-N -1 3 380.410 3.759 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C/C=C/c3ccc(C(C)C)cc3)CC2)n1 ZINC001349462403 1063736472 /nfs/dbraw/zinc/73/64/72/1063736472.db2.gz XITJKACIHIYZBE-SNAWJCMRSA-N -1 3 394.519 3.803 20 0 GHADHM COC(=O)C=Cc1ccc(OC)c(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001459065199 1063991186 /nfs/dbraw/zinc/99/11/86/1063991186.db2.gz XLHDWTRJTJMKFL-LUAWRHEFSA-N -1 3 392.411 3.623 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001438356406 1064041241 /nfs/dbraw/zinc/04/12/41/1064041241.db2.gz FGUZNWGUWJSWSJ-UHFFFAOYSA-N -1 3 392.240 3.777 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2)ccc1F ZINC001350606054 1064139468 /nfs/dbraw/zinc/13/94/68/1064139468.db2.gz GKLOFAWFBVJNBC-UHFFFAOYSA-N -1 3 385.844 3.523 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)[N-]OCc1cccnc1)C1CCCCCC1 ZINC001545920761 1064190417 /nfs/dbraw/zinc/19/04/17/1064190417.db2.gz XIBLUMNFARMCBN-GOSISDBHSA-N -1 3 391.512 3.741 20 0 GHADHM O=S(=O)([N-]C[C@@H]1COC2(CCCCCC2)O1)c1cccc(Cl)c1Cl ZINC001463419971 1064333778 /nfs/dbraw/zinc/33/37/78/1064333778.db2.gz FZRDYBKWRGXNNQ-GFCCVEGCSA-N -1 3 394.320 3.738 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1 ZINC001460018062 1064350266 /nfs/dbraw/zinc/35/02/66/1064350266.db2.gz VUJUOMHZEJMUDU-UHFFFAOYSA-N -1 3 380.404 3.759 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1 ZINC001460018062 1064350276 /nfs/dbraw/zinc/35/02/76/1064350276.db2.gz VUJUOMHZEJMUDU-UHFFFAOYSA-N -1 3 380.404 3.759 20 0 GHADHM Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)cc1C ZINC001463580452 1064477515 /nfs/dbraw/zinc/47/75/15/1064477515.db2.gz DSTNHLBBLFOKCS-OAHLLOKOSA-N -1 3 396.871 3.567 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(Cl)cc2Cl)c1 ZINC001463580843 1064478914 /nfs/dbraw/zinc/47/89/14/1064478914.db2.gz BZYWFDUIXRLGMI-UHFFFAOYSA-N -1 3 379.243 3.796 20 0 GHADHM COCCC1([N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)CCC1 ZINC001463626387 1064509150 /nfs/dbraw/zinc/50/91/50/1064509150.db2.gz SZABTGGBJWRSRF-UHFFFAOYSA-N -1 3 396.734 3.648 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001463633304 1064514421 /nfs/dbraw/zinc/51/44/21/1064514421.db2.gz OQWZICLHGXOHDH-GHMZBOCLSA-N -1 3 376.787 3.588 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001463633316 1064514720 /nfs/dbraw/zinc/51/47/20/1064514720.db2.gz OQWZICLHGXOHDH-WDEREUQCSA-N -1 3 376.787 3.588 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC(C)CC1 ZINC001463638895 1064519136 /nfs/dbraw/zinc/51/91/36/1064519136.db2.gz DSLXCUNDWVFOFD-UHFFFAOYSA-N -1 3 383.407 3.718 20 0 GHADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)cc1[O-] ZINC001463710350 1064563391 /nfs/dbraw/zinc/56/33/91/1064563391.db2.gz WKWLCYKDCQVPLA-UHFFFAOYSA-N -1 3 385.423 3.881 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(OC)c2[O-])cc1 ZINC001463911422 1064713855 /nfs/dbraw/zinc/71/38/55/1064713855.db2.gz UCVGAXVZHQZISK-UHFFFAOYSA-N -1 3 392.411 3.914 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC001463936106 1064728555 /nfs/dbraw/zinc/72/85/55/1064728555.db2.gz XICUQEYKXNILJY-QMMMGPOBSA-N -1 3 393.303 3.647 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1csc(Br)n1 ZINC001464139158 1064851556 /nfs/dbraw/zinc/85/15/56/1064851556.db2.gz SMWJYESPBPFCPX-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC001464166488 1064881495 /nfs/dbraw/zinc/88/14/95/1064881495.db2.gz XLJAMBCMZIKAGJ-LLVKDONJSA-N -1 3 376.359 3.609 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCCS1)c1cc(Br)ccc1Cl ZINC001464180506 1064890776 /nfs/dbraw/zinc/89/07/76/1064890776.db2.gz UVMQZRCJWRIQIS-JTQLQIEISA-N -1 3 384.748 3.667 20 0 GHADHM CCCC(=O)Nc1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001464223050 1064915877 /nfs/dbraw/zinc/91/58/77/1064915877.db2.gz NEMHAITZJJDZIL-UHFFFAOYSA-N -1 3 397.862 3.850 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)c1cc(C)ccc1C ZINC001464268730 1064933634 /nfs/dbraw/zinc/93/36/34/1064933634.db2.gz HHDXSDIPPIULJE-MRXNPFEDSA-N -1 3 397.443 3.798 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001352308758 1064973286 /nfs/dbraw/zinc/97/32/86/1064973286.db2.gz NLCLTHYNZDDWMF-JOCHJYFZSA-N -1 3 392.507 3.618 20 0 GHADHM CO[C@H](CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1 ZINC001464410767 1064993896 /nfs/dbraw/zinc/99/38/96/1064993896.db2.gz IEYBDTHFPSOTEY-CYBMUJFWSA-N -1 3 377.466 3.608 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CC(C)(C)OC2(C)C)c(-c2ccccc2)s1 ZINC001464626766 1065119643 /nfs/dbraw/zinc/11/96/43/1065119643.db2.gz CQRWPPBIJQXVFC-HNNXBMFYSA-N -1 3 394.562 3.991 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC2(CC2)C1 ZINC001464648970 1065137102 /nfs/dbraw/zinc/13/71/02/1065137102.db2.gz DRIUMWWVUFZANZ-LLVKDONJSA-N -1 3 392.290 3.598 20 0 GHADHM COc1cccc2cc(CNC(=O)c3cc([O-])cc(Br)c3)oc21 ZINC001464755108 1065192797 /nfs/dbraw/zinc/19/27/97/1065192797.db2.gz BRZWMCYNJISPAS-UHFFFAOYSA-N -1 3 376.206 3.840 20 0 GHADHM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)C(C)C)n1 ZINC001464872848 1065254504 /nfs/dbraw/zinc/25/45/04/1065254504.db2.gz ZEOUTYDTOIIQEZ-HNNXBMFYSA-N -1 3 394.884 3.564 20 0 GHADHM CC(=O)N(c1nc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cs1)c1ccccc1 ZINC001352860422 1065386919 /nfs/dbraw/zinc/38/69/19/1065386919.db2.gz CBFPPGHNSHPDRV-UHFFFAOYSA-N -1 3 397.504 3.657 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001465211908 1065464836 /nfs/dbraw/zinc/46/48/36/1065464836.db2.gz YOSDWHUZOGGUSH-CYBMUJFWSA-N -1 3 376.478 3.736 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001465279580 1065521393 /nfs/dbraw/zinc/52/13/93/1065521393.db2.gz SBEDGSHYBIJOSZ-UHFFFAOYSA-N -1 3 387.241 3.505 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001465279580 1065521406 /nfs/dbraw/zinc/52/14/06/1065521406.db2.gz SBEDGSHYBIJOSZ-UHFFFAOYSA-N -1 3 387.241 3.505 20 0 GHADHM C/C(=C/c1ccncc1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000847569601 1065637974 /nfs/dbraw/zinc/63/79/74/1065637974.db2.gz FYGGXNIKDSRGJF-OWBHPGMISA-N -1 3 399.878 3.721 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccc(F)cc1C(F)(F)F ZINC001465535690 1065697453 /nfs/dbraw/zinc/69/74/53/1065697453.db2.gz SJHLSNDXUCBBSF-UHFFFAOYSA-N -1 3 380.305 3.592 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccc(F)cc1C(F)(F)F ZINC001465535690 1065697477 /nfs/dbraw/zinc/69/74/77/1065697477.db2.gz SJHLSNDXUCBBSF-UHFFFAOYSA-N -1 3 380.305 3.592 20 0 GHADHM Cc1ccccc1C1=NO[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001466632593 1066223983 /nfs/dbraw/zinc/22/39/83/1066223983.db2.gz LXODIYYVBWLGBP-INIZCTEOSA-N -1 3 375.222 3.595 20 0 GHADHM COc1ccc(CCC(=O)[N-]OCc2ccc(F)cc2)c(Br)c1 ZINC001466782069 1066311256 /nfs/dbraw/zinc/31/12/56/1066311256.db2.gz SGLYBDGOTYRBJK-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cnc(-c2ccccc2Br)s1 ZINC001466805304 1066324873 /nfs/dbraw/zinc/32/48/73/1066324873.db2.gz FPRJMOZBTNDOLK-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C(NCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC001466896739 1066375292 /nfs/dbraw/zinc/37/52/92/1066375292.db2.gz PVMSHQZPSWDDSG-UHFFFAOYSA-N -1 3 390.439 3.734 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c([O-])cccc1OC ZINC001466919656 1066388306 /nfs/dbraw/zinc/38/83/06/1066388306.db2.gz OOHDVOPMRXJKBE-SNVBAGLBSA-N -1 3 380.238 3.663 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1O ZINC001467285620 1067198306 /nfs/dbraw/zinc/19/83/06/1067198306.db2.gz AGHOIROIYRNKIH-UHFFFAOYSA-N -1 3 396.896 3.967 20 0 GHADHM CCCc1ccc(CCCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874646 1067510777 /nfs/dbraw/zinc/51/07/77/1067510777.db2.gz QIMQOZDJKFYLJT-IAGOWNOFSA-N -1 3 397.519 3.842 20 0 GHADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)nn1-c1ccccc1 ZINC000524011736 1067583925 /nfs/dbraw/zinc/58/39/25/1067583925.db2.gz OSZBGRFDDVDBOM-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM Cc1ccc(-n2cc(C(=O)Nc3c(C)c(Br)ccc3[O-])nn2)cc1 ZINC001468426342 1067727272 /nfs/dbraw/zinc/72/72/72/1067727272.db2.gz UPDSIYYHQGSQLR-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000849305196 1067792968 /nfs/dbraw/zinc/79/29/68/1067792968.db2.gz LVBZNTZNEYGEST-MRXNPFEDSA-N -1 3 390.505 3.501 20 0 GHADHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c([O-])c1 ZINC000849538729 1067901666 /nfs/dbraw/zinc/90/16/66/1067901666.db2.gz MZUYOYZFCPRTFQ-HXUWFJFHSA-N -1 3 383.492 3.547 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001468923519 1067928350 /nfs/dbraw/zinc/92/83/50/1067928350.db2.gz OZYPIAXIERTPEW-YALNPMBYSA-N -1 3 399.457 3.667 20 0 GHADHM O=C(NC[C@@H](CO)c1ccc(F)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001469012496 1067951949 /nfs/dbraw/zinc/95/19/49/1067951949.db2.gz LGOWCBFVEZHSQO-FQEVSTJZSA-N -1 3 393.458 3.822 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001469163135 1068003935 /nfs/dbraw/zinc/00/39/35/1068003935.db2.gz WMFRTBMYDDKENX-STQMWFEESA-N -1 3 376.403 3.532 20 0 GHADHM O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)NCc1ccc([O-])c(F)c1 ZINC001477988391 1078658877 /nfs/dbraw/zinc/65/88/77/1078658877.db2.gz CWEWHVPVWSXAQL-UHFFFAOYSA-N -1 3 379.794 3.847 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2nc(-c3ccccn3)cs2)cnc1Cl ZINC001469540642 1068212328 /nfs/dbraw/zinc/21/23/28/1068212328.db2.gz CVNQRVLCLXITCL-UHFFFAOYSA-N -1 3 394.834 3.970 20 0 GHADHM Cc1ccc([C@@H](CC(F)(F)F)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001469686253 1068309873 /nfs/dbraw/zinc/30/98/73/1068309873.db2.gz HRSQUFBSLHZMGO-SNVBAGLBSA-N -1 3 395.307 3.625 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCc2ccccc2C1 ZINC001478219940 1078771051 /nfs/dbraw/zinc/77/10/51/1078771051.db2.gz DWINZFPUNYGDHS-INIZCTEOSA-N -1 3 389.293 3.902 20 0 GHADHM O=C(N[C@H](C1CCC1)C1CCCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001478869716 1079008497 /nfs/dbraw/zinc/00/84/97/1079008497.db2.gz JTGQPSBNDSINKJ-NRFANRHFSA-N -1 3 399.535 3.609 20 0 GHADHM CCOC(=O)C=Cc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001471398952 1073053785 /nfs/dbraw/zinc/05/37/85/1073053785.db2.gz ZLZRIZOSHQVRIK-YVMONPNESA-N -1 3 398.365 3.635 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2c(OC)ccc3ccccc32)c1 ZINC001471761876 1073212599 /nfs/dbraw/zinc/21/25/99/1073212599.db2.gz RIMGJFIKZFFNMV-UHFFFAOYSA-N -1 3 390.439 3.651 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471809361 1073224353 /nfs/dbraw/zinc/22/43/53/1073224353.db2.gz BNHVECKKMAQSRB-UHFFFAOYSA-N -1 3 384.436 3.561 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)c1 ZINC001471920617 1073260410 /nfs/dbraw/zinc/26/04/10/1073260410.db2.gz LNWHKNDUWOYUME-UHFFFAOYSA-N -1 3 389.477 3.786 20 0 GHADHM O=C(NCc1cnn2c1CCCC2)c1cc(CCc2ccccc2)ccc1[O-] ZINC001472065810 1073322717 /nfs/dbraw/zinc/32/27/17/1073322717.db2.gz KISKWEYIBRROIK-UHFFFAOYSA-N -1 3 375.472 3.640 20 0 GHADHM CCc1sc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1Br ZINC001472091205 1073331625 /nfs/dbraw/zinc/33/16/25/1073331625.db2.gz RQFYDJKMLNNPCB-UHFFFAOYSA-N -1 3 386.271 3.614 20 0 GHADHM CCc1sc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1Br ZINC001472091205 1073331632 /nfs/dbraw/zinc/33/16/32/1073331632.db2.gz RQFYDJKMLNNPCB-UHFFFAOYSA-N -1 3 386.271 3.614 20 0 GHADHM CCc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)ccc1Br ZINC001472092838 1073331903 /nfs/dbraw/zinc/33/19/03/1073331903.db2.gz IBUKCIWVHSSEQP-UHFFFAOYSA-N -1 3 380.242 3.552 20 0 GHADHM CCc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)ccc1Br ZINC001472092838 1073331905 /nfs/dbraw/zinc/33/19/05/1073331905.db2.gz IBUKCIWVHSSEQP-UHFFFAOYSA-N -1 3 380.242 3.552 20 0 GHADHM C[C@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110696 1073337157 /nfs/dbraw/zinc/33/71/57/1073337157.db2.gz JBLHWCIYCSEUFN-SZKDQXIBSA-N -1 3 384.305 3.794 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC001472109665 1073337273 /nfs/dbraw/zinc/33/72/73/1073337273.db2.gz TWJSXVJMFPDPHX-RKDXNWHRSA-N -1 3 388.777 3.563 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472111697 1073337916 /nfs/dbraw/zinc/33/79/16/1073337916.db2.gz SBAIXJQQSWILQV-LLVKDONJSA-N -1 3 388.349 3.794 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)C1(Cc2ccc(F)cc2)CC1 ZINC001472242253 1073381383 /nfs/dbraw/zinc/38/13/83/1073381383.db2.gz GYSRRZIZHNQSSC-UHFFFAOYSA-N -1 3 393.418 3.867 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)C1(Cc2ccc(F)cc2)CC1 ZINC001472242253 1073381388 /nfs/dbraw/zinc/38/13/88/1073381388.db2.gz GYSRRZIZHNQSSC-UHFFFAOYSA-N -1 3 393.418 3.867 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccc(Oc2ccccn2)c1 ZINC001472288648 1073401079 /nfs/dbraw/zinc/40/10/79/1073401079.db2.gz IRFYMUDOEFPXCU-JCNLHEQBSA-N -1 3 390.443 3.826 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288886 1073401184 /nfs/dbraw/zinc/40/11/84/1073401184.db2.gz RZLYXKLDPGQLGC-ULQDDVLXSA-N -1 3 383.492 3.917 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC001472381509 1073456961 /nfs/dbraw/zinc/45/69/61/1073456961.db2.gz JDJYXDOAQHPXND-UHFFFAOYSA-N -1 3 399.447 3.628 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cnc(-c2cccnc2)s1 ZINC001472548806 1073547022 /nfs/dbraw/zinc/54/70/22/1073547022.db2.gz ISMPJSCWDTUZGK-UHFFFAOYSA-N -1 3 398.835 3.602 20 0 GHADHM O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC001472611356 1073575065 /nfs/dbraw/zinc/57/50/65/1073575065.db2.gz VGLFYHOEMYQUEA-MRXNPFEDSA-N -1 3 376.859 3.969 20 0 GHADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1nccs1 ZINC001472921222 1073727058 /nfs/dbraw/zinc/72/70/58/1073727058.db2.gz CAFZOGNPTXCJMS-QMMMGPOBSA-N -1 3 381.483 3.997 20 0 GHADHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCCOc2cccc3ccccc32)C1 ZINC001473739487 1074117128 /nfs/dbraw/zinc/11/71/28/1074117128.db2.gz RIMWZBZCUVZASA-IBGZPJMESA-N -1 3 380.410 3.752 20 0 GHADHM O=c1[n-]c(CNCc2cccc(-c3ccc(Cl)cc3)c2)nc2c1COCC2 ZINC001474245854 1074308153 /nfs/dbraw/zinc/30/81/53/1074308153.db2.gz UPYYSWSPRNJIRX-UHFFFAOYSA-N -1 3 381.863 3.865 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC001474766289 1074550400 /nfs/dbraw/zinc/55/04/00/1074550400.db2.gz LPUJGZCZUWQZQN-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC001474778947 1074557856 /nfs/dbraw/zinc/55/78/56/1074557856.db2.gz IZNFHASIHQLPSQ-YRGRVCCFSA-N -1 3 381.519 3.791 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCC1)c1cnc(Cl)c(F)c1 ZINC001474921833 1074633030 /nfs/dbraw/zinc/63/30/30/1074633030.db2.gz ZBEUSVZNZKLQQA-UHFFFAOYSA-N -1 3 389.279 3.928 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001474943750 1074644122 /nfs/dbraw/zinc/64/41/22/1074644122.db2.gz GNUFYGLHJARPHM-LLVKDONJSA-N -1 3 381.454 3.594 20 0 GHADHM COc1cccc(C2(C[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)CCCC2)c1 ZINC001474955330 1074651136 /nfs/dbraw/zinc/65/11/36/1074651136.db2.gz KNVNLWALLSBBPU-UHFFFAOYSA-N -1 3 399.434 3.903 20 0 GHADHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC001474987224 1074669748 /nfs/dbraw/zinc/66/97/48/1074669748.db2.gz SIYNXHGHNTYKLL-LBPRGKRZSA-N -1 3 386.286 3.979 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCCC2 ZINC001475029669 1074694612 /nfs/dbraw/zinc/69/46/12/1074694612.db2.gz XQBLXSGHHPMBKW-GJZGRUSLSA-N -1 3 375.893 3.885 20 0 GHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC001475173743 1074769201 /nfs/dbraw/zinc/76/92/01/1074769201.db2.gz UCYFGGCUZCXTDQ-MRVPVSSYSA-N -1 3 392.212 3.906 20 0 GHADHM COCCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001475185232 1074775067 /nfs/dbraw/zinc/77/50/67/1074775067.db2.gz UTCCVRJKEYAWJW-UHFFFAOYSA-N -1 3 398.750 3.752 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1csc(-c2ccccc2)n1 ZINC001475195566 1074779884 /nfs/dbraw/zinc/77/98/84/1074779884.db2.gz NDCJIHYYVIWKRP-MRXNPFEDSA-N -1 3 392.546 3.970 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475386631 1074856978 /nfs/dbraw/zinc/85/69/78/1074856978.db2.gz HUWIWPLZDIVGEB-HOCLYGCPSA-N -1 3 392.974 3.708 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475386635 1074857045 /nfs/dbraw/zinc/85/70/45/1074857045.db2.gz HUWIWPLZDIVGEB-ZBFHGGJFSA-N -1 3 392.974 3.708 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c(Br)c1 ZINC001475434931 1074873834 /nfs/dbraw/zinc/87/38/34/1074873834.db2.gz GLVVALYOSZAVGN-GXFFZTMASA-N -1 3 378.719 3.878 20 0 GHADHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC001475457371 1074882017 /nfs/dbraw/zinc/88/20/17/1074882017.db2.gz UXCQUEILUHXAQX-RFAUZJTJSA-N -1 3 378.252 3.533 20 0 GHADHM CC(C)(CCS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 ZINC001475505973 1074899935 /nfs/dbraw/zinc/89/99/35/1074899935.db2.gz QPOCSDZATAXKQC-GDBMZVCRSA-N -1 3 391.455 3.667 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2OC(F)F)sc1Cl ZINC001475536826 1074907746 /nfs/dbraw/zinc/90/77/46/1074907746.db2.gz SSXOOCMJOYWCHG-UHFFFAOYSA-N -1 3 385.816 3.929 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2F)c(Cl)c1 ZINC001475648952 1074992934 /nfs/dbraw/zinc/99/29/34/1074992934.db2.gz KBOLVOICFOVMOT-UHFFFAOYSA-N -1 3 381.778 3.997 20 0 GHADHM COc1ccc2ccccc2c1CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001475661326 1074995196 /nfs/dbraw/zinc/99/51/96/1074995196.db2.gz QQADEPGNDAAITE-UHFFFAOYSA-N -1 3 394.855 3.557 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)(NCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001604218678 1126228301 /nfs/dbraw/zinc/22/83/01/1126228301.db2.gz RVVIZILDTPLYSF-NRFANRHFSA-N -1 3 383.879 3.760 20 0 GHADHM CCSc1nnc([N-]C(=O)c2n[nH]c3ccc(Br)cc32)s1 ZINC000521114903 564619812 /nfs/dbraw/zinc/61/98/12/564619812.db2.gz MQEQEJXXNDKERA-UHFFFAOYSA-N -1 3 384.284 3.541 20 0 GHADHM Cc1cc(C)c([N-]c2nnc(Sc3nccn4nnnc34)s2)c(Cl)c1 ZINC000531380715 564908490 /nfs/dbraw/zinc/90/84/90/564908490.db2.gz ZYMVEFBJJFRURY-UHFFFAOYSA-N -1 3 390.885 3.536 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(Cl)c(Cl)c1 ZINC000737523205 598827708 /nfs/dbraw/zinc/82/77/08/598827708.db2.gz HQXISXWQTKBJBJ-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(Cl)c(Cl)c1 ZINC000737523205 598827709 /nfs/dbraw/zinc/82/77/09/598827709.db2.gz HQXISXWQTKBJBJ-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1cc(C)cc(C)c1 ZINC000737257137 598827970 /nfs/dbraw/zinc/82/79/70/598827970.db2.gz QXWDIOAWPXKLDZ-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1cc(C)cc(C)c1 ZINC000737257137 598827971 /nfs/dbraw/zinc/82/79/71/598827971.db2.gz QXWDIOAWPXKLDZ-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM FC(F)Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000737638043 598832468 /nfs/dbraw/zinc/83/24/68/598832468.db2.gz BIFYLPJZEMYBSS-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM FC(F)Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000737638043 598832470 /nfs/dbraw/zinc/83/24/70/598832470.db2.gz BIFYLPJZEMYBSS-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM O=C(C=Cc1ccco1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737807865 598834135 /nfs/dbraw/zinc/83/41/35/598834135.db2.gz RESXTCUNKSNZIV-TWGQIWQCSA-N -1 3 377.429 3.518 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1(C(F)(F)F)CC1 ZINC000738112250 598834827 /nfs/dbraw/zinc/83/48/27/598834827.db2.gz NSAFNBVHZFTGEP-UHFFFAOYSA-N -1 3 393.394 3.554 20 0 GHADHM C[C@@H]1CC(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C[C@@H](C)C1 ZINC000736222278 598838093 /nfs/dbraw/zinc/83/80/93/598838093.db2.gz CDFMPGKZRRCXCI-KBPBESRZSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737236441 598839960 /nfs/dbraw/zinc/83/99/60/598839960.db2.gz KVJSPKLDOHFNNZ-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479344 598840569 /nfs/dbraw/zinc/84/05/69/598840569.db2.gz JCHNMKOTZBVNIK-OAHLLOKOSA-N -1 3 396.470 3.731 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479344 598840570 /nfs/dbraw/zinc/84/05/70/598840570.db2.gz JCHNMKOTZBVNIK-OAHLLOKOSA-N -1 3 396.470 3.731 20 0 GHADHM Clc1cccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737575314 598858789 /nfs/dbraw/zinc/85/87/89/598858789.db2.gz QSULQVFHIUIDLM-UHFFFAOYSA-N -1 3 396.838 3.972 20 0 GHADHM Clc1cccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737575314 598858791 /nfs/dbraw/zinc/85/87/91/598858791.db2.gz QSULQVFHIUIDLM-UHFFFAOYSA-N -1 3 396.838 3.972 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)on1 ZINC000735923435 598862927 /nfs/dbraw/zinc/86/29/27/598862927.db2.gz SYXYHUWGGSWQSM-UHFFFAOYSA-N -1 3 375.388 3.864 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)on1 ZINC000735923435 598862929 /nfs/dbraw/zinc/86/29/29/598862929.db2.gz SYXYHUWGGSWQSM-UHFFFAOYSA-N -1 3 375.388 3.864 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895429 598878211 /nfs/dbraw/zinc/87/82/11/598878211.db2.gz JFWKSNZKTLINFW-YWZLYKJASA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895429 598878213 /nfs/dbraw/zinc/87/82/13/598878213.db2.gz JFWKSNZKTLINFW-YWZLYKJASA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895440 598881099 /nfs/dbraw/zinc/88/10/99/598881099.db2.gz JHWILQJYRYULIM-KUHUBIRLSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895440 598881101 /nfs/dbraw/zinc/88/11/01/598881101.db2.gz JHWILQJYRYULIM-KUHUBIRLSA-N -1 3 393.491 3.729 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1ccccc1F ZINC000736037866 598883317 /nfs/dbraw/zinc/88/33/17/598883317.db2.gz PMBKBGWMEGCUQZ-UONOGXRCSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1ccccc1F ZINC000736037866 598883318 /nfs/dbraw/zinc/88/33/18/598883318.db2.gz PMBKBGWMEGCUQZ-UONOGXRCSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000736038310 598887990 /nfs/dbraw/zinc/88/79/90/598887990.db2.gz UCFZNZPRCAHHKG-MRVWCRGKSA-N -1 3 398.385 3.546 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000736038310 598887992 /nfs/dbraw/zinc/88/79/92/598887992.db2.gz UCFZNZPRCAHHKG-MRVWCRGKSA-N -1 3 398.385 3.546 20 0 GHADHM Cc1cnc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000737444943 598888913 /nfs/dbraw/zinc/88/89/13/598888913.db2.gz DCRORPWWQIVXES-UHFFFAOYSA-N -1 3 397.489 3.682 20 0 GHADHM CC(C)(C)CCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735602766 598901462 /nfs/dbraw/zinc/90/14/62/598901462.db2.gz QQFQCEDUZLLMQI-UHFFFAOYSA-N -1 3 396.520 3.573 20 0 GHADHM CC(C)(C)CCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735602766 598901464 /nfs/dbraw/zinc/90/14/64/598901464.db2.gz QQFQCEDUZLLMQI-UHFFFAOYSA-N -1 3 396.520 3.573 20 0 GHADHM COC(=O)c1coc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)c1 ZINC000736956003 598902533 /nfs/dbraw/zinc/90/25/33/598902533.db2.gz AWEPBPIXTUXLTC-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM COC(=O)c1coc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)c1 ZINC000736956003 598902534 /nfs/dbraw/zinc/90/25/34/598902534.db2.gz AWEPBPIXTUXLTC-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736264541 598906358 /nfs/dbraw/zinc/90/63/58/598906358.db2.gz FRPWDRSUJBYEKB-CYBMUJFWSA-N -1 3 382.493 3.537 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(COC2CCCC2)cc1 ZINC000738117154 598907564 /nfs/dbraw/zinc/90/75/64/598907564.db2.gz NWLNQYOVTOEXGP-UHFFFAOYSA-N -1 3 392.463 3.648 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(COC2CCCC2)cc1 ZINC000738117154 598907566 /nfs/dbraw/zinc/90/75/66/598907566.db2.gz NWLNQYOVTOEXGP-UHFFFAOYSA-N -1 3 392.463 3.648 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923577 598910976 /nfs/dbraw/zinc/91/09/76/598910976.db2.gz MWUHALGLPDGTLK-VOBQZIQPSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923577 598910979 /nfs/dbraw/zinc/91/09/79/598910979.db2.gz MWUHALGLPDGTLK-VOBQZIQPSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000735670139 598922242 /nfs/dbraw/zinc/92/22/42/598922242.db2.gz FJAQWGBYVTXMRF-UHFFFAOYSA-N -1 3 376.873 3.681 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000735670139 598922243 /nfs/dbraw/zinc/92/22/43/598922243.db2.gz FJAQWGBYVTXMRF-UHFFFAOYSA-N -1 3 376.873 3.681 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1Cc2ccccc21 ZINC000738184171 598924703 /nfs/dbraw/zinc/92/47/03/598924703.db2.gz CFINKYQLCLNMOU-OAQYLSRUSA-N -1 3 397.438 3.724 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1Cc2ccccc21 ZINC000738184171 598924704 /nfs/dbraw/zinc/92/47/04/598924704.db2.gz CFINKYQLCLNMOU-OAQYLSRUSA-N -1 3 397.438 3.724 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737357747 598929577 /nfs/dbraw/zinc/92/95/77/598929577.db2.gz UNLGVGMNBNMKSS-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737357747 598929578 /nfs/dbraw/zinc/92/95/78/598929578.db2.gz UNLGVGMNBNMKSS-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM CC(C)c1cc(=O)oc2cc(Oc3ncc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000735921081 598934480 /nfs/dbraw/zinc/93/44/80/598934480.db2.gz ILNUUYKYLACGMY-UHFFFAOYSA-N -1 3 383.795 3.937 20 0 GHADHM CC(C)c1cc(=O)oc2cc(Oc3ncc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000735921081 598934482 /nfs/dbraw/zinc/93/44/82/598934482.db2.gz ILNUUYKYLACGMY-UHFFFAOYSA-N -1 3 383.795 3.937 20 0 GHADHM Cc1nn(-c2ccccc2)c(CSC2=Nc3ccccc3C2)c1-c1nnn[n-]1 ZINC000737504154 598939737 /nfs/dbraw/zinc/93/97/37/598939737.db2.gz QHDQRPXYWCWKSA-UHFFFAOYSA-N -1 3 387.472 3.880 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736362450 598943936 /nfs/dbraw/zinc/94/39/36/598943936.db2.gz JDFONTBYJNIUCS-INIZCTEOSA-N -1 3 389.431 3.505 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736362450 598943937 /nfs/dbraw/zinc/94/39/37/598943937.db2.gz JDFONTBYJNIUCS-INIZCTEOSA-N -1 3 389.431 3.505 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737996142 598944680 /nfs/dbraw/zinc/94/46/80/598944680.db2.gz OORZCWODSGWKFG-FQEVSTJZSA-N -1 3 387.418 3.720 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737996142 598944681 /nfs/dbraw/zinc/94/46/81/598944681.db2.gz OORZCWODSGWKFG-FQEVSTJZSA-N -1 3 387.418 3.720 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000736713054 598961298 /nfs/dbraw/zinc/96/12/98/598961298.db2.gz MHYRLEZSOKTNJN-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000736713054 598961299 /nfs/dbraw/zinc/96/12/99/598961299.db2.gz MHYRLEZSOKTNJN-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1Cl ZINC000738383726 598974669 /nfs/dbraw/zinc/97/46/69/598974669.db2.gz PSUUQHHUHPYERJ-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1Cl ZINC000738383726 598974671 /nfs/dbraw/zinc/97/46/71/598974671.db2.gz PSUUQHHUHPYERJ-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O=C(NCC1CCCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738044327 598979512 /nfs/dbraw/zinc/97/95/12/598979512.db2.gz JKWCOXPCQTYDER-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(c2cccc(F)c2)CC1 ZINC000738206033 598981098 /nfs/dbraw/zinc/98/10/98/598981098.db2.gz ARELVZZQGKYGEM-UHFFFAOYSA-N -1 3 383.452 3.616 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(c2cccc(F)c2)CC1 ZINC000738206033 598981100 /nfs/dbraw/zinc/98/11/00/598981100.db2.gz ARELVZZQGKYGEM-UHFFFAOYSA-N -1 3 383.452 3.616 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736507226 598989101 /nfs/dbraw/zinc/98/91/01/598989101.db2.gz BXLYYTLDVBRFGP-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CC(C)Cc1noc(-c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735851338 599009985 /nfs/dbraw/zinc/00/99/85/599009985.db2.gz QERPZLMYFIXIFJ-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(N2CCCCCC2)c1 ZINC000738100556 599022888 /nfs/dbraw/zinc/02/28/88/599022888.db2.gz QRCLGDFBPKIBRY-UHFFFAOYSA-N -1 3 391.479 3.569 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(N2CCCCCC2)c1 ZINC000738100556 599022891 /nfs/dbraw/zinc/02/28/91/599022891.db2.gz QRCLGDFBPKIBRY-UHFFFAOYSA-N -1 3 391.479 3.569 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000131000100 599034158 /nfs/dbraw/zinc/03/41/58/599034158.db2.gz PVPNFHYPXDAHCL-UONOGXRCSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000131000100 599034160 /nfs/dbraw/zinc/03/41/60/599034160.db2.gz PVPNFHYPXDAHCL-UONOGXRCSA-N -1 3 389.337 3.508 20 0 GHADHM Cc1cccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)c[nH]c21 ZINC000737409725 599036004 /nfs/dbraw/zinc/03/60/04/599036004.db2.gz RPJJQLXFQIBHFG-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1cccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)c[nH]c21 ZINC000737409725 599036007 /nfs/dbraw/zinc/03/60/07/599036007.db2.gz RPJJQLXFQIBHFG-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCCO2 ZINC000737664177 599047999 /nfs/dbraw/zinc/04/79/99/599047999.db2.gz CXLUPPOTQREFJW-LBPRGKRZSA-N -1 3 394.332 3.745 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCCO2 ZINC000737664177 599048002 /nfs/dbraw/zinc/04/80/02/599048002.db2.gz CXLUPPOTQREFJW-LBPRGKRZSA-N -1 3 394.332 3.745 20 0 GHADHM Cc1csc([C@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000737454592 599051943 /nfs/dbraw/zinc/05/19/43/599051943.db2.gz CSYORCXMRSRLII-LLVKDONJSA-N -1 3 395.414 3.777 20 0 GHADHM Cc1csc([C@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000737454592 599051946 /nfs/dbraw/zinc/05/19/46/599051946.db2.gz CSYORCXMRSRLII-LLVKDONJSA-N -1 3 395.414 3.777 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1OCC1CCOCC1 ZINC000737360680 599053514 /nfs/dbraw/zinc/05/35/14/599053514.db2.gz ABFHQXUULYYRBL-UHFFFAOYSA-N -1 3 379.464 3.593 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1OCC1CCOCC1 ZINC000737360680 599053516 /nfs/dbraw/zinc/05/35/16/599053516.db2.gz ABFHQXUULYYRBL-UHFFFAOYSA-N -1 3 379.464 3.593 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000821346436 599071755 /nfs/dbraw/zinc/07/17/55/599071755.db2.gz JBOIAPTZZHCBKI-GFCCVEGCSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000821346436 599071758 /nfs/dbraw/zinc/07/17/58/599071758.db2.gz JBOIAPTZZHCBKI-GFCCVEGCSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000821345991 599071825 /nfs/dbraw/zinc/07/18/25/599071825.db2.gz BURXPXCWZNIRSN-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000821345991 599071827 /nfs/dbraw/zinc/07/18/27/599071827.db2.gz BURXPXCWZNIRSN-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000821346262 599072023 /nfs/dbraw/zinc/07/20/23/599072023.db2.gz FVLFWWJXERZPGK-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000821346262 599072026 /nfs/dbraw/zinc/07/20/26/599072026.db2.gz FVLFWWJXERZPGK-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736686226 599085392 /nfs/dbraw/zinc/08/53/92/599085392.db2.gz OSGOVEBPWOUQQQ-GFBZKKKVSA-N -1 3 377.448 3.789 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736686226 599085395 /nfs/dbraw/zinc/08/53/95/599085395.db2.gz OSGOVEBPWOUQQQ-GFBZKKKVSA-N -1 3 377.448 3.789 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736244876 599086983 /nfs/dbraw/zinc/08/69/83/599086983.db2.gz OPHZVJOUPYXKTJ-HUUCEWRRSA-N -1 3 395.463 3.689 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000737424181 599094699 /nfs/dbraw/zinc/09/46/99/599094699.db2.gz STIXVQRSYOXMBW-UHFFFAOYSA-N -1 3 387.487 3.655 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000737424181 599094701 /nfs/dbraw/zinc/09/47/01/599094701.db2.gz STIXVQRSYOXMBW-UHFFFAOYSA-N -1 3 387.487 3.655 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822753220 599105584 /nfs/dbraw/zinc/10/55/84/599105584.db2.gz JKAZVLATCQQYSF-IBGZPJMESA-N -1 3 389.438 3.733 20 0 GHADHM COc1ccccc1[C@@H](C)SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821883142 599127900 /nfs/dbraw/zinc/12/79/00/599127900.db2.gz QSALSDLAPDVNNV-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccccc1[C@@H](C)SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821883142 599127902 /nfs/dbraw/zinc/12/79/02/599127902.db2.gz QSALSDLAPDVNNV-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737210615 599145787 /nfs/dbraw/zinc/14/57/87/599145787.db2.gz GUMMQRBKNGQNSF-UHFFFAOYSA-N -1 3 382.811 3.896 20 0 GHADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737210615 599145789 /nfs/dbraw/zinc/14/57/89/599145789.db2.gz GUMMQRBKNGQNSF-UHFFFAOYSA-N -1 3 382.811 3.896 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1SCCc2sccc21 ZINC000820116851 599146483 /nfs/dbraw/zinc/14/64/83/599146483.db2.gz QAYCZCUIVZLKPP-KRWDZBQOSA-N -1 3 399.545 3.696 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1SCCc2sccc21 ZINC000820116851 599146485 /nfs/dbraw/zinc/14/64/85/599146485.db2.gz QAYCZCUIVZLKPP-KRWDZBQOSA-N -1 3 399.545 3.696 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116169 599147261 /nfs/dbraw/zinc/14/72/61/599147261.db2.gz LCZLAJSMABIAGJ-CYBMUJFWSA-N -1 3 380.452 3.927 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116169 599147263 /nfs/dbraw/zinc/14/72/63/599147263.db2.gz LCZLAJSMABIAGJ-CYBMUJFWSA-N -1 3 380.452 3.927 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000821701966 599148175 /nfs/dbraw/zinc/14/81/75/599148175.db2.gz BSQPXCGYTAWXPO-WCIBSUBMSA-N -1 3 377.404 3.572 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000821701966 599148177 /nfs/dbraw/zinc/14/81/77/599148177.db2.gz BSQPXCGYTAWXPO-WCIBSUBMSA-N -1 3 377.404 3.572 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000821765360 599148537 /nfs/dbraw/zinc/14/85/37/599148537.db2.gz BBDPWMFHLWAITC-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM O=C(CCCC1CCCCC1)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737824186 599149013 /nfs/dbraw/zinc/14/90/13/599149013.db2.gz FJNGLEHODJDSEE-UHFFFAOYSA-N -1 3 396.451 3.711 20 0 GHADHM O=C(CCCC1CCCCC1)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737824186 599149015 /nfs/dbraw/zinc/14/90/15/599149015.db2.gz FJNGLEHODJDSEE-UHFFFAOYSA-N -1 3 396.451 3.711 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000821476360 599153743 /nfs/dbraw/zinc/15/37/43/599153743.db2.gz NCAUMGGQSRLXHD-UHFFFAOYSA-N -1 3 391.406 3.758 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000821476360 599153745 /nfs/dbraw/zinc/15/37/45/599153745.db2.gz NCAUMGGQSRLXHD-UHFFFAOYSA-N -1 3 391.406 3.758 20 0 GHADHM COc1ccc(C=Cc2nc3cc(OC)c(OC)cc3s2)cc1-c1nnn[n-]1 ZINC000737055049 599154179 /nfs/dbraw/zinc/15/41/79/599154179.db2.gz GIUNIFXDWFETLJ-ALCCZGGFSA-N -1 3 395.444 3.673 20 0 GHADHM COc1ccc(C=Cc2nc3cc(OC)c(OC)cc3s2)cc1-c1nn[n-]n1 ZINC000737055049 599154181 /nfs/dbraw/zinc/15/41/81/599154181.db2.gz GIUNIFXDWFETLJ-ALCCZGGFSA-N -1 3 395.444 3.673 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822950217 599154521 /nfs/dbraw/zinc/15/45/21/599154521.db2.gz FUQJXJCXTQMXCD-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822950217 599154523 /nfs/dbraw/zinc/15/45/23/599154523.db2.gz FUQJXJCXTQMXCD-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000737559917 599158331 /nfs/dbraw/zinc/15/83/31/599158331.db2.gz DGGXRSBVDNHSCG-VHSXEESVSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000737559917 599158334 /nfs/dbraw/zinc/15/83/34/599158334.db2.gz DGGXRSBVDNHSCG-VHSXEESVSA-N -1 3 375.404 3.565 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738144820 599161659 /nfs/dbraw/zinc/16/16/59/599161659.db2.gz NVSODCMJEDNDAI-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738144820 599161660 /nfs/dbraw/zinc/16/16/60/599161660.db2.gz NVSODCMJEDNDAI-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597693 599162524 /nfs/dbraw/zinc/16/25/24/599162524.db2.gz SJRAEDSXNTUSQG-MJGOQNOKSA-N -1 3 396.539 3.510 20 0 GHADHM Cc1ccc2oc(SCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)nc2c1 ZINC000737378434 599167672 /nfs/dbraw/zinc/16/76/72/599167672.db2.gz BMGJITLDMGZZQV-UHFFFAOYSA-N -1 3 391.416 3.659 20 0 GHADHM Cc1ccc2oc(SCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)nc2c1 ZINC000737378434 599167674 /nfs/dbraw/zinc/16/76/74/599167674.db2.gz BMGJITLDMGZZQV-UHFFFAOYSA-N -1 3 391.416 3.659 20 0 GHADHM c1ccc2c(c1)nccc2SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738437276 599168033 /nfs/dbraw/zinc/16/80/33/599168033.db2.gz NLWQPPMJMROANK-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1ccc2c(c1)nccc2SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738437276 599168037 /nfs/dbraw/zinc/16/80/37/599168037.db2.gz NLWQPPMJMROANK-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Oc1ccccc1 ZINC000823241651 599169801 /nfs/dbraw/zinc/16/98/01/599169801.db2.gz AJONYWDYMXPVQC-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Oc1ccccc1 ZINC000823241651 599169802 /nfs/dbraw/zinc/16/98/02/599169802.db2.gz AJONYWDYMXPVQC-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822229281 599171883 /nfs/dbraw/zinc/17/18/83/599171883.db2.gz QWUFVGYHWYOBKH-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822229281 599171886 /nfs/dbraw/zinc/17/18/86/599171886.db2.gz QWUFVGYHWYOBKH-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735448878 599179151 /nfs/dbraw/zinc/17/91/51/599179151.db2.gz LZTQAPBHVFWOMF-XFXZXTDPSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735448878 599179154 /nfs/dbraw/zinc/17/91/54/599179154.db2.gz LZTQAPBHVFWOMF-XFXZXTDPSA-N -1 3 387.365 3.605 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000735905429 599184979 /nfs/dbraw/zinc/18/49/79/599184979.db2.gz ILPZHUTZNSNXRY-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000735905429 599184982 /nfs/dbraw/zinc/18/49/82/599184982.db2.gz ILPZHUTZNSNXRY-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821948559 599185742 /nfs/dbraw/zinc/18/57/42/599185742.db2.gz CONLISPEWMBUOI-ZIAGYGMSSA-N -1 3 379.489 3.548 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000821948559 599185745 /nfs/dbraw/zinc/18/57/45/599185745.db2.gz CONLISPEWMBUOI-ZIAGYGMSSA-N -1 3 379.489 3.548 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000461104515 599182279 /nfs/dbraw/zinc/18/22/79/599182279.db2.gz XIPBLNAUUNASTL-QFIPXVFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000461104515 599182281 /nfs/dbraw/zinc/18/22/81/599182281.db2.gz XIPBLNAUUNASTL-QFIPXVFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@H]1Cc2ccccc21 ZINC000738210540 599186904 /nfs/dbraw/zinc/18/69/04/599186904.db2.gz QYDVKCIWRPAITG-HNNXBMFYSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@H]1Cc2ccccc21 ZINC000738210540 599186907 /nfs/dbraw/zinc/18/69/07/599186907.db2.gz QYDVKCIWRPAITG-HNNXBMFYSA-N -1 3 379.489 3.866 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000737289639 599187111 /nfs/dbraw/zinc/18/71/11/599187111.db2.gz RNQKFCLSNUWVAP-LLVKDONJSA-N -1 3 375.354 3.936 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000737289639 599187112 /nfs/dbraw/zinc/18/71/12/599187112.db2.gz RNQKFCLSNUWVAP-LLVKDONJSA-N -1 3 375.354 3.936 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736185015 599196738 /nfs/dbraw/zinc/19/67/38/599196738.db2.gz RDVMOUWJEYMSFU-INIZCTEOSA-N -1 3 393.491 3.506 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736185015 599196740 /nfs/dbraw/zinc/19/67/40/599196740.db2.gz RDVMOUWJEYMSFU-INIZCTEOSA-N -1 3 393.491 3.506 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000738270717 599198233 /nfs/dbraw/zinc/19/82/33/599198233.db2.gz VTULYFRENFLCET-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000738270717 599198234 /nfs/dbraw/zinc/19/82/34/599198234.db2.gz VTULYFRENFLCET-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM CCC(CC)(CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887718 599201081 /nfs/dbraw/zinc/20/10/81/599201081.db2.gz NQPLLROGKVDYQN-INIZCTEOSA-N -1 3 393.491 3.508 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000820950447 599201601 /nfs/dbraw/zinc/20/16/01/599201601.db2.gz NHBGVEPXDPGAJN-LJQANCHMSA-N -1 3 386.525 3.513 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820951299 599202152 /nfs/dbraw/zinc/20/21/52/599202152.db2.gz XWBMSEWBWVPXPZ-OAQYLSRUSA-N -1 3 392.463 3.706 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820951299 599202153 /nfs/dbraw/zinc/20/21/53/599202153.db2.gz XWBMSEWBWVPXPZ-OAQYLSRUSA-N -1 3 392.463 3.706 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299879 599202887 /nfs/dbraw/zinc/20/28/87/599202887.db2.gz XZZUHHMCOPEKGS-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299879 599202889 /nfs/dbraw/zinc/20/28/89/599202889.db2.gz XZZUHHMCOPEKGS-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM COC(=O)c1cc2cc(CSCc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000821668804 599225581 /nfs/dbraw/zinc/22/55/81/599225581.db2.gz JQUZSHXPZJSNOX-UHFFFAOYSA-N -1 3 380.429 3.833 20 0 GHADHM COC(=O)c1cc2cc(CSCc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000821668804 599225583 /nfs/dbraw/zinc/22/55/83/599225583.db2.gz JQUZSHXPZJSNOX-UHFFFAOYSA-N -1 3 380.429 3.833 20 0 GHADHM CS[C@@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000737170382 599226794 /nfs/dbraw/zinc/22/67/94/599226794.db2.gz JSCBZJPNELBMTN-LSDHHAIUSA-N -1 3 393.516 3.938 20 0 GHADHM CS[C@@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000737170382 599226797 /nfs/dbraw/zinc/22/67/97/599226797.db2.gz JSCBZJPNELBMTN-LSDHHAIUSA-N -1 3 393.516 3.938 20 0 GHADHM CC(C)c1cnc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000735933361 599228357 /nfs/dbraw/zinc/22/83/57/599228357.db2.gz VNHAYMMOELHAOJ-UHFFFAOYSA-N -1 3 386.481 3.634 20 0 GHADHM CC(C)c1cnc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000735933361 599228359 /nfs/dbraw/zinc/22/83/59/599228359.db2.gz VNHAYMMOELHAOJ-UHFFFAOYSA-N -1 3 386.481 3.634 20 0 GHADHM CN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CCC1 ZINC000736740496 599228692 /nfs/dbraw/zinc/22/86/92/599228692.db2.gz ACWPHWZYYHHYSG-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CCC1 ZINC000736740496 599228695 /nfs/dbraw/zinc/22/86/95/599228695.db2.gz ACWPHWZYYHHYSG-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737852119 599234866 /nfs/dbraw/zinc/23/48/66/599234866.db2.gz CJCVNWRUJMXKKD-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737852119 599234867 /nfs/dbraw/zinc/23/48/67/599234867.db2.gz CJCVNWRUJMXKKD-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820379331 599234971 /nfs/dbraw/zinc/23/49/71/599234971.db2.gz AQTGTHQDBYSQGS-JTQLQIEISA-N -1 3 387.241 3.512 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820379331 599234973 /nfs/dbraw/zinc/23/49/73/599234973.db2.gz AQTGTHQDBYSQGS-JTQLQIEISA-N -1 3 387.241 3.512 20 0 GHADHM Cc1c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822109286 607267306 /nfs/dbraw/zinc/26/73/06/607267306.db2.gz OZLGRTYIELHBOK-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822109286 607267307 /nfs/dbraw/zinc/26/73/07/607267307.db2.gz OZLGRTYIELHBOK-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000821077489 607267699 /nfs/dbraw/zinc/26/76/99/607267699.db2.gz HWQNNGXXMVFMGX-UHFFFAOYSA-N -1 3 381.436 3.615 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000821077489 607267700 /nfs/dbraw/zinc/26/77/00/607267700.db2.gz HWQNNGXXMVFMGX-UHFFFAOYSA-N -1 3 381.436 3.615 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380074 599240652 /nfs/dbraw/zinc/24/06/52/599240652.db2.gz KUZUERLWPOHUQV-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380074 599240653 /nfs/dbraw/zinc/24/06/53/599240653.db2.gz KUZUERLWPOHUQV-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM c1nc(-c2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000738421872 599247125 /nfs/dbraw/zinc/24/71/25/599247125.db2.gz HGGFMYXPLFNJLG-UHFFFAOYSA-N -1 3 379.427 3.841 20 0 GHADHM c1nc(-c2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000738421872 599247127 /nfs/dbraw/zinc/24/71/27/599247127.db2.gz HGGFMYXPLFNJLG-UHFFFAOYSA-N -1 3 379.427 3.841 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736481144 599247785 /nfs/dbraw/zinc/24/77/85/599247785.db2.gz UTCBPWQYELPXEU-VAWYXSNFSA-N -1 3 398.470 3.867 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736481144 599247788 /nfs/dbraw/zinc/24/77/88/599247788.db2.gz UTCBPWQYELPXEU-VAWYXSNFSA-N -1 3 398.470 3.867 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820352371 599261800 /nfs/dbraw/zinc/26/18/00/599261800.db2.gz VBVSMMGLCHDFSE-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820352371 599261801 /nfs/dbraw/zinc/26/18/01/599261801.db2.gz VBVSMMGLCHDFSE-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822097031 607290336 /nfs/dbraw/zinc/29/03/36/607290336.db2.gz SIIZRUHTHOALGU-NEPJUHHUSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822097031 607290337 /nfs/dbraw/zinc/29/03/37/607290337.db2.gz SIIZRUHTHOALGU-NEPJUHHUSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737265635 599259630 /nfs/dbraw/zinc/25/96/30/599259630.db2.gz XSHVDOMBGAYVES-UHFFFAOYSA-N -1 3 381.867 3.741 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737265635 599259633 /nfs/dbraw/zinc/25/96/33/599259633.db2.gz XSHVDOMBGAYVES-UHFFFAOYSA-N -1 3 381.867 3.741 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913640 599259978 /nfs/dbraw/zinc/25/99/78/599259978.db2.gz IJSQIASJXWYOIG-HNAYVOBHSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913640 599259979 /nfs/dbraw/zinc/25/99/79/599259979.db2.gz IJSQIASJXWYOIG-HNAYVOBHSA-N -1 3 378.480 3.590 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821504173 599260028 /nfs/dbraw/zinc/26/00/28/599260028.db2.gz CPQATYUJCVHJOC-WCQYABFASA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821504173 599260029 /nfs/dbraw/zinc/26/00/29/599260029.db2.gz CPQATYUJCVHJOC-WCQYABFASA-N -1 3 399.524 3.658 20 0 GHADHM Cc1c(NC(=O)c2occc2COc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822115757 607297063 /nfs/dbraw/zinc/29/70/63/607297063.db2.gz IKMZIUJESGZFSO-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1c(NC(=O)c2occc2COc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822115757 607297064 /nfs/dbraw/zinc/29/70/64/607297064.db2.gz IKMZIUJESGZFSO-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822419772 607297542 /nfs/dbraw/zinc/29/75/42/607297542.db2.gz VBFHFSUANPLMPR-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822419772 607297543 /nfs/dbraw/zinc/29/75/43/607297543.db2.gz VBFHFSUANPLMPR-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822202032 607298103 /nfs/dbraw/zinc/29/81/03/607298103.db2.gz IDJQAEWPWCSSTP-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822202032 607298104 /nfs/dbraw/zinc/29/81/04/607298104.db2.gz IDJQAEWPWCSSTP-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822728681 607314609 /nfs/dbraw/zinc/31/46/09/607314609.db2.gz IXULXBURUYZZOT-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822728681 607314610 /nfs/dbraw/zinc/31/46/10/607314610.db2.gz IXULXBURUYZZOT-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM CSc1ccc(Cl)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821984979 599268147 /nfs/dbraw/zinc/26/81/47/599268147.db2.gz WULUSGDSDFIZAG-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CSc1ccc(Cl)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821984979 599268149 /nfs/dbraw/zinc/26/81/49/599268149.db2.gz WULUSGDSDFIZAG-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000821762622 599274295 /nfs/dbraw/zinc/27/42/95/599274295.db2.gz NISGFTSSACURAW-YVEFUNNKSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000821762622 599274298 /nfs/dbraw/zinc/27/42/98/599274298.db2.gz NISGFTSSACURAW-YVEFUNNKSA-N -1 3 396.426 3.629 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000736487009 599276030 /nfs/dbraw/zinc/27/60/30/599276030.db2.gz AQHLAIMEEXSFTD-UHFFFAOYSA-N -1 3 394.266 3.586 20 0 GHADHM O=C(Nc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCCC1 ZINC000823367670 607319048 /nfs/dbraw/zinc/31/90/48/607319048.db2.gz MXYHEFQNIPKFPJ-UHFFFAOYSA-N -1 3 376.464 3.998 20 0 GHADHM O=C(Nc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCCC1 ZINC000823367670 607319049 /nfs/dbraw/zinc/31/90/49/607319049.db2.gz MXYHEFQNIPKFPJ-UHFFFAOYSA-N -1 3 376.464 3.998 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203413 607319480 /nfs/dbraw/zinc/31/94/80/607319480.db2.gz SKJFWDWTLLLTNV-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203413 607319481 /nfs/dbraw/zinc/31/94/81/607319481.db2.gz SKJFWDWTLLLTNV-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N(C)C1CCC1 ZINC000822211500 599277932 /nfs/dbraw/zinc/27/79/32/599277932.db2.gz BLGSSLOQIZZIFL-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N(C)C1CCC1 ZINC000822211500 599277934 /nfs/dbraw/zinc/27/79/34/599277934.db2.gz BLGSSLOQIZZIFL-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000821149388 599283858 /nfs/dbraw/zinc/28/38/58/599283858.db2.gz XUVVZRIHJCFTNG-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821149388 599283861 /nfs/dbraw/zinc/28/38/61/599283861.db2.gz XUVVZRIHJCFTNG-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM C[C@H](Sc1nncn1CCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192333 599286848 /nfs/dbraw/zinc/28/68/48/599286848.db2.gz LNKDPWMICNMIHR-LBPRGKRZSA-N -1 3 383.506 3.616 20 0 GHADHM C[C@H](Sc1nncn1CCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192333 599286849 /nfs/dbraw/zinc/28/68/49/599286849.db2.gz LNKDPWMICNMIHR-LBPRGKRZSA-N -1 3 383.506 3.616 20 0 GHADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1Cc1ccccc1 ZINC000737532791 599288704 /nfs/dbraw/zinc/28/87/04/599288704.db2.gz KPCBPOBLNJIWHH-ZDUSSCGKSA-N -1 3 377.477 3.668 20 0 GHADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1Cc1ccccc1 ZINC000737532791 599288706 /nfs/dbraw/zinc/28/87/06/599288706.db2.gz KPCBPOBLNJIWHH-ZDUSSCGKSA-N -1 3 377.477 3.668 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000823303805 599289906 /nfs/dbraw/zinc/28/99/06/599289906.db2.gz WAJVIDNGXCQOKX-ZFWWWQNUSA-N -1 3 388.353 3.563 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000823303805 599289908 /nfs/dbraw/zinc/28/99/08/599289908.db2.gz WAJVIDNGXCQOKX-ZFWWWQNUSA-N -1 3 388.353 3.563 20 0 GHADHM Cc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1CCc1cccs1 ZINC000737531823 599290148 /nfs/dbraw/zinc/29/01/48/599290148.db2.gz FTPBXZYCYWAFNW-GFCCVEGCSA-N -1 3 397.533 3.924 20 0 GHADHM Cc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1CCc1cccs1 ZINC000737531823 599290150 /nfs/dbraw/zinc/29/01/50/599290150.db2.gz FTPBXZYCYWAFNW-GFCCVEGCSA-N -1 3 397.533 3.924 20 0 GHADHM Cc1nc(C)c(-c2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000737471137 599290168 /nfs/dbraw/zinc/29/01/68/599290168.db2.gz PCUNVSQSAVWUTM-VIFPVBQESA-N -1 3 385.478 3.843 20 0 GHADHM Cc1nc(C)c(-c2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000737471137 599290169 /nfs/dbraw/zinc/29/01/69/599290169.db2.gz PCUNVSQSAVWUTM-VIFPVBQESA-N -1 3 385.478 3.843 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1n[nH]c2ccccc21 ZINC000738182972 598231047 /nfs/dbraw/zinc/23/10/47/598231047.db2.gz GKBVDAONWIVKND-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000738256547 598231372 /nfs/dbraw/zinc/23/13/72/598231372.db2.gz YOKMSAFJUDHLTC-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000738256547 598231374 /nfs/dbraw/zinc/23/13/74/598231374.db2.gz YOKMSAFJUDHLTC-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM O=C(CCc1cccnc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737859937 598231490 /nfs/dbraw/zinc/23/14/90/598231490.db2.gz DXXAFBPBOVCSLG-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738257559 598241220 /nfs/dbraw/zinc/24/12/20/598241220.db2.gz HNCQGYMIURBDMK-UHFFFAOYSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1nnc(N[C@H](C)Cc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000737520636 598245475 /nfs/dbraw/zinc/24/54/75/598245475.db2.gz LEDHEGYHDVQBAY-MRVPVSSYSA-N -1 3 378.267 3.623 20 0 GHADHM Cc1nnc(N[C@H](C)Cc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000737520636 598245476 /nfs/dbraw/zinc/24/54/76/598245476.db2.gz LEDHEGYHDVQBAY-MRVPVSSYSA-N -1 3 378.267 3.623 20 0 GHADHM FC(F)(F)c1ccc(N2CCc3[nH]c4ccccc4c3C2)cc1-c1nnn[n-]1 ZINC000822724009 607346925 /nfs/dbraw/zinc/34/69/25/607346925.db2.gz WJFGGWHGCAUPOW-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1ccc(N2CCc3[nH]c4ccccc4c3C2)cc1-c1nn[n-]n1 ZINC000822724009 607346926 /nfs/dbraw/zinc/34/69/26/607346926.db2.gz WJFGGWHGCAUPOW-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccccc2Cn2cccn2)cc1-c1nnn[n-]1 ZINC000822729267 607346949 /nfs/dbraw/zinc/34/69/49/607346949.db2.gz ZCMOSVIDSILMFD-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccccc2Cn2cccn2)cc1-c1nn[n-]n1 ZINC000822729267 607346951 /nfs/dbraw/zinc/34/69/51/607346951.db2.gz ZCMOSVIDSILMFD-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM Cn1c2ccccc2nc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737591392 598275342 /nfs/dbraw/zinc/27/53/42/598275342.db2.gz KFFRZDYAKSRORC-NRFANRHFSA-N -1 3 395.470 3.633 20 0 GHADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@H]1CCCc2ccccc21 ZINC000736739102 598276732 /nfs/dbraw/zinc/27/67/32/598276732.db2.gz JPRIWQLDPKSPDL-KRWDZBQOSA-N -1 3 393.495 3.965 20 0 GHADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@H]1CCCc2ccccc21 ZINC000736739102 598276733 /nfs/dbraw/zinc/27/67/33/598276733.db2.gz JPRIWQLDPKSPDL-KRWDZBQOSA-N -1 3 393.495 3.965 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737974310 598278318 /nfs/dbraw/zinc/27/83/18/598278318.db2.gz MUNRMXGYYWCXGK-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737974310 598278320 /nfs/dbraw/zinc/27/83/20/598278320.db2.gz MUNRMXGYYWCXGK-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000735659527 598278803 /nfs/dbraw/zinc/27/88/03/598278803.db2.gz BXCOAQMLORTNPL-UHFFFAOYSA-N -1 3 397.458 3.759 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000735659527 598278805 /nfs/dbraw/zinc/27/88/05/598278805.db2.gz BXCOAQMLORTNPL-UHFFFAOYSA-N -1 3 397.458 3.759 20 0 GHADHM CC(C)Oc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735913952 598279224 /nfs/dbraw/zinc/27/92/24/598279224.db2.gz ONWAROUHJYZMAU-UHFFFAOYSA-N -1 3 397.483 3.532 20 0 GHADHM CC(C)Oc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735913952 598279225 /nfs/dbraw/zinc/27/92/25/598279225.db2.gz ONWAROUHJYZMAU-UHFFFAOYSA-N -1 3 397.483 3.532 20 0 GHADHM CC(C)N(Cc1cccs1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735875206 598279409 /nfs/dbraw/zinc/27/94/09/598279409.db2.gz KLLHDDBGAQRDKU-UHFFFAOYSA-N -1 3 387.513 3.927 20 0 GHADHM CC(C)N(Cc1cccs1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735875206 598279411 /nfs/dbraw/zinc/27/94/11/598279411.db2.gz KLLHDDBGAQRDKU-UHFFFAOYSA-N -1 3 387.513 3.927 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000735662299 598281730 /nfs/dbraw/zinc/28/17/30/598281730.db2.gz UNJAFWIMCHMLKG-UHFFFAOYSA-N -1 3 391.838 3.537 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000735662299 598281731 /nfs/dbraw/zinc/28/17/31/598281731.db2.gz UNJAFWIMCHMLKG-UHFFFAOYSA-N -1 3 391.838 3.537 20 0 GHADHM Fc1ccc(Br)c(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737649904 598283571 /nfs/dbraw/zinc/28/35/71/598283571.db2.gz LXOCQTHYIBNZDR-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1ccc(Br)c(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737649904 598283574 /nfs/dbraw/zinc/28/35/74/598283574.db2.gz LXOCQTHYIBNZDR-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1F)c1ccccc1F ZINC000738271596 598298424 /nfs/dbraw/zinc/29/84/24/598298424.db2.gz YSMBBZFCVCDXCF-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1F)c1ccccc1F ZINC000738271596 598298425 /nfs/dbraw/zinc/29/84/25/598298425.db2.gz YSMBBZFCVCDXCF-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(OCc1ccnc(Cl)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738232921 598303236 /nfs/dbraw/zinc/30/32/36/598303236.db2.gz AXJWQLSCHTWECO-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1ccnc(Cl)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738232921 598303238 /nfs/dbraw/zinc/30/32/38/598303238.db2.gz AXJWQLSCHTWECO-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)sc2cccc(F)c12 ZINC000737214565 598303313 /nfs/dbraw/zinc/30/33/13/598303313.db2.gz MMRRQSDKNJWOCA-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)sc2cccc(F)c12 ZINC000737214565 598303315 /nfs/dbraw/zinc/30/33/15/598303315.db2.gz MMRRQSDKNJWOCA-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)n1C1CCCCC1 ZINC000737236113 598308929 /nfs/dbraw/zinc/30/89/29/598308929.db2.gz BCNCTRWWAIKLBT-UHFFFAOYSA-N -1 3 396.470 3.859 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)n1C1CCCCC1 ZINC000737236113 598308931 /nfs/dbraw/zinc/30/89/31/598308931.db2.gz BCNCTRWWAIKLBT-UHFFFAOYSA-N -1 3 396.470 3.859 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(ccc3ccccc23)[nH]1 ZINC000738102946 598309982 /nfs/dbraw/zinc/30/99/82/598309982.db2.gz VSSVXJHSQRMZBX-UHFFFAOYSA-N -1 3 386.390 3.570 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(ccc3ccccc23)[nH]1 ZINC000738102946 598309984 /nfs/dbraw/zinc/30/99/84/598309984.db2.gz VSSVXJHSQRMZBX-UHFFFAOYSA-N -1 3 386.390 3.570 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1csc(-c2ccccn2)n1 ZINC000737650406 598314113 /nfs/dbraw/zinc/31/41/13/598314113.db2.gz OUDOVJQFNXBIKJ-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1csc(-c2ccccn2)n1 ZINC000737650406 598314114 /nfs/dbraw/zinc/31/41/14/598314114.db2.gz OUDOVJQFNXBIKJ-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM S=C(NCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401706 598316352 /nfs/dbraw/zinc/31/63/52/598316352.db2.gz RUMNSELHYBYEAV-UHFFFAOYSA-N -1 3 379.276 3.660 20 0 GHADHM S=C(NCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401706 598316354 /nfs/dbraw/zinc/31/63/54/598316354.db2.gz RUMNSELHYBYEAV-UHFFFAOYSA-N -1 3 379.276 3.660 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736242068 598320156 /nfs/dbraw/zinc/32/01/56/598320156.db2.gz YWTYEJOFTABSQR-TVQRCGJNSA-N -1 3 388.884 3.723 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736242068 598320157 /nfs/dbraw/zinc/32/01/57/598320157.db2.gz YWTYEJOFTABSQR-TVQRCGJNSA-N -1 3 388.884 3.723 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(Cl)c1Cl ZINC000738100729 598322809 /nfs/dbraw/zinc/32/28/09/598322809.db2.gz RMQCSAGWZXUJHX-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(Cl)c1Cl ZINC000738100729 598322810 /nfs/dbraw/zinc/32/28/10/598322810.db2.gz RMQCSAGWZXUJHX-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(SC(F)F)cc1 ZINC000738099650 598322844 /nfs/dbraw/zinc/32/28/44/598322844.db2.gz ILXYTZAXBVXDPB-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(SC(F)F)cc1 ZINC000738099650 598322845 /nfs/dbraw/zinc/32/28/45/598322845.db2.gz ILXYTZAXBVXDPB-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM CC(C)Oc1ccc(CNc2ncccc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735915900 598354139 /nfs/dbraw/zinc/35/41/39/598354139.db2.gz VJLRINCFJIUWAI-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2ncccc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735915900 598354141 /nfs/dbraw/zinc/35/41/41/598354141.db2.gz VJLRINCFJIUWAI-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CCN(C(=O)Cc1csc(C(C)(C)C)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504901 598365541 /nfs/dbraw/zinc/36/55/41/598365541.db2.gz DOLZTBWOZPXMKW-ZDUSSCGKSA-N -1 3 398.536 3.773 20 0 GHADHM CCN(C(=O)Cc1csc(C(C)(C)C)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504901 598365542 /nfs/dbraw/zinc/36/55/42/598365542.db2.gz DOLZTBWOZPXMKW-ZDUSSCGKSA-N -1 3 398.536 3.773 20 0 GHADHM COc1ccsc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737158790 598372101 /nfs/dbraw/zinc/37/21/01/598372101.db2.gz ISWUDQPXRJAQMS-UHFFFAOYSA-N -1 3 392.440 3.961 20 0 GHADHM COc1ccsc1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737158790 598372103 /nfs/dbraw/zinc/37/21/03/598372103.db2.gz ISWUDQPXRJAQMS-UHFFFAOYSA-N -1 3 392.440 3.961 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735905945 598391757 /nfs/dbraw/zinc/39/17/57/598391757.db2.gz NVCIUBPPYMOVHB-INIZCTEOSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735905945 598391758 /nfs/dbraw/zinc/39/17/58/598391758.db2.gz NVCIUBPPYMOVHB-INIZCTEOSA-N -1 3 396.426 3.602 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCc2cc(Br)ccc21 ZINC000737557540 598392360 /nfs/dbraw/zinc/39/23/60/598392360.db2.gz FUYNIFJWQSDTNF-CYBMUJFWSA-N -1 3 391.660 3.777 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCc2cc(Br)ccc21 ZINC000737557540 598392362 /nfs/dbraw/zinc/39/23/62/598392362.db2.gz FUYNIFJWQSDTNF-CYBMUJFWSA-N -1 3 391.660 3.777 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000735504506 598393472 /nfs/dbraw/zinc/39/34/72/598393472.db2.gz OJXDXDUDTNXISW-UHFFFAOYSA-N -1 3 387.490 3.714 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000735504506 598393473 /nfs/dbraw/zinc/39/34/73/598393473.db2.gz OJXDXDUDTNXISW-UHFFFAOYSA-N -1 3 387.490 3.714 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502606 598395505 /nfs/dbraw/zinc/39/55/05/598395505.db2.gz ORPYGIUOLDLZQB-JSNMRZPZSA-N -1 3 391.475 3.589 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502606 598395507 /nfs/dbraw/zinc/39/55/07/598395507.db2.gz ORPYGIUOLDLZQB-JSNMRZPZSA-N -1 3 391.475 3.589 20 0 GHADHM COc1ccc(OC(C)C)c(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737108436 598403765 /nfs/dbraw/zinc/40/37/65/598403765.db2.gz LRODSTRAHMZXMU-UHFFFAOYSA-N -1 3 383.452 3.544 20 0 GHADHM Cc1nc(CCC(=O)OCc2ccccc2-c2nnn[n-]2)oc1-c1ccccc1 ZINC000737471532 598410878 /nfs/dbraw/zinc/41/08/78/598410878.db2.gz IMDQBISIUVETPJ-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1nc(CCC(=O)OCc2ccccc2-c2nn[n-]n2)oc1-c1ccccc1 ZINC000737471532 598410879 /nfs/dbraw/zinc/41/08/79/598410879.db2.gz IMDQBISIUVETPJ-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)ccc1F ZINC000736628586 598416566 /nfs/dbraw/zinc/41/65/66/598416566.db2.gz QJJCNHXKZOQBFA-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)ccc1F ZINC000736628586 598416568 /nfs/dbraw/zinc/41/65/68/598416568.db2.gz QJJCNHXKZOQBFA-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736189066 598416767 /nfs/dbraw/zinc/41/67/67/598416767.db2.gz ADSIJJZTRGKOMV-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736189066 598416768 /nfs/dbraw/zinc/41/67/68/598416768.db2.gz ADSIJJZTRGKOMV-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518414049 598419974 /nfs/dbraw/zinc/41/99/74/598419974.db2.gz XTOICIFIBNYWAC-NSHDSACASA-N -1 3 390.274 3.669 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518414049 598419976 /nfs/dbraw/zinc/41/99/76/598419976.db2.gz XTOICIFIBNYWAC-NSHDSACASA-N -1 3 390.274 3.669 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCOc1cc(C)cc(C)c1C ZINC000736629061 598420992 /nfs/dbraw/zinc/42/09/92/598420992.db2.gz SZJLMIOJCSJCIJ-UHFFFAOYSA-N -1 3 396.447 3.565 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCOc1cc(C)cc(C)c1C ZINC000736629061 598420994 /nfs/dbraw/zinc/42/09/94/598420994.db2.gz SZJLMIOJCSJCIJ-UHFFFAOYSA-N -1 3 396.447 3.565 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736453022 598432700 /nfs/dbraw/zinc/43/27/00/598432700.db2.gz KGFGODVHFKYTKH-UHFFFAOYSA-N -1 3 393.495 3.767 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736453022 598432701 /nfs/dbraw/zinc/43/27/01/598432701.db2.gz KGFGODVHFKYTKH-UHFFFAOYSA-N -1 3 393.495 3.767 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1 ZINC000737074944 598437057 /nfs/dbraw/zinc/43/70/57/598437057.db2.gz ZNXKGNHBSKTRHM-NWDGAFQWSA-N -1 3 397.504 3.804 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1 ZINC000737074944 598437059 /nfs/dbraw/zinc/43/70/59/598437059.db2.gz ZNXKGNHBSKTRHM-NWDGAFQWSA-N -1 3 397.504 3.804 20 0 GHADHM CC[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1c(C)noc1C ZINC000736312017 598441172 /nfs/dbraw/zinc/44/11/72/598441172.db2.gz DNHFFCSDOKPSBP-NSHDSACASA-N -1 3 386.481 3.544 20 0 GHADHM CC[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1c(C)noc1C ZINC000736312017 598441174 /nfs/dbraw/zinc/44/11/74/598441174.db2.gz DNHFFCSDOKPSBP-NSHDSACASA-N -1 3 386.481 3.544 20 0 GHADHM Cc1cccc(C2(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737390136 598447528 /nfs/dbraw/zinc/44/75/28/598447528.db2.gz PPALIGWSFSPOLQ-MRXNPFEDSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1cccc(C2(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737390136 598447529 /nfs/dbraw/zinc/44/75/29/598447529.db2.gz PPALIGWSFSPOLQ-MRXNPFEDSA-N -1 3 391.475 3.528 20 0 GHADHM CCN(Cc1nc2cc(F)ccc2n1CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555079 598460448 /nfs/dbraw/zinc/46/04/48/598460448.db2.gz DFJIPWAHSNGFOF-CQSZACIVSA-N -1 3 393.470 3.959 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738164337 598477440 /nfs/dbraw/zinc/47/74/40/598477440.db2.gz WAXLDBNNFYLWPS-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738164337 598477441 /nfs/dbraw/zinc/47/74/41/598477441.db2.gz WAXLDBNNFYLWPS-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737214605 598488632 /nfs/dbraw/zinc/48/86/32/598488632.db2.gz ODHFMQBZWYMBON-UHFFFAOYSA-N -1 3 382.399 3.869 20 0 GHADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737214605 598488633 /nfs/dbraw/zinc/48/86/33/598488633.db2.gz ODHFMQBZWYMBON-UHFFFAOYSA-N -1 3 382.399 3.869 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1nc2ccccc2s1 ZINC000735655851 598489277 /nfs/dbraw/zinc/48/92/77/598489277.db2.gz RZGCRTYEJGPSMG-CMDGGOBGSA-N -1 3 393.476 3.685 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1nc2ccccc2s1 ZINC000735655851 598489279 /nfs/dbraw/zinc/48/92/79/598489279.db2.gz RZGCRTYEJGPSMG-CMDGGOBGSA-N -1 3 393.476 3.685 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000732086263 598494023 /nfs/dbraw/zinc/49/40/23/598494023.db2.gz UHAAAUCXXKTUKQ-RAXLEYEMSA-N -1 3 389.459 3.518 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000732086263 598494024 /nfs/dbraw/zinc/49/40/24/598494024.db2.gz UHAAAUCXXKTUKQ-RAXLEYEMSA-N -1 3 389.459 3.518 20 0 GHADHM CCCCC[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736440543 598508227 /nfs/dbraw/zinc/50/82/27/598508227.db2.gz DEGULRDKJPESJW-IBGZPJMESA-N -1 3 399.520 3.608 20 0 GHADHM CCCCC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736440543 598508229 /nfs/dbraw/zinc/50/82/29/598508229.db2.gz DEGULRDKJPESJW-IBGZPJMESA-N -1 3 399.520 3.608 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000736669372 598516549 /nfs/dbraw/zinc/51/65/49/598516549.db2.gz GDRLUAFWJRHVIH-UHFFFAOYSA-N -1 3 389.456 3.736 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000736669372 598516551 /nfs/dbraw/zinc/51/65/51/598516551.db2.gz GDRLUAFWJRHVIH-UHFFFAOYSA-N -1 3 389.456 3.736 20 0 GHADHM CC(C)(C)c1ccccc1OCCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735652813 598532894 /nfs/dbraw/zinc/53/28/94/598532894.db2.gz SDWOPXVBLLZYEA-UHFFFAOYSA-N -1 3 396.520 3.530 20 0 GHADHM CC(C)(C)c1ccccc1OCCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735652813 598532896 /nfs/dbraw/zinc/53/28/96/598532896.db2.gz SDWOPXVBLLZYEA-UHFFFAOYSA-N -1 3 396.520 3.530 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737023407 598533054 /nfs/dbraw/zinc/53/30/54/598533054.db2.gz DXXLKVAYAKROPA-ZWKOTPCHSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737023407 598533056 /nfs/dbraw/zinc/53/30/56/598533056.db2.gz DXXLKVAYAKROPA-ZWKOTPCHSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CCCC2)c1 ZINC000737130319 598533551 /nfs/dbraw/zinc/53/35/51/598533551.db2.gz WBTWVAWMLULYTB-UHFFFAOYSA-N -1 3 397.866 3.979 20 0 GHADHM COc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CCCC2)c1 ZINC000737130319 598533552 /nfs/dbraw/zinc/53/35/52/598533552.db2.gz WBTWVAWMLULYTB-UHFFFAOYSA-N -1 3 397.866 3.979 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)oc21 ZINC000737409039 598544252 /nfs/dbraw/zinc/54/42/52/598544252.db2.gz MFFVFSNNHAYHNS-UHFFFAOYSA-N -1 3 385.330 3.775 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)oc21 ZINC000737409039 598544253 /nfs/dbraw/zinc/54/42/53/598544253.db2.gz MFFVFSNNHAYHNS-UHFFFAOYSA-N -1 3 385.330 3.775 20 0 GHADHM COc1cccc(-c2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)cs2)c1 ZINC000737120360 598548984 /nfs/dbraw/zinc/54/89/84/598548984.db2.gz MNULCMPKVYZTBQ-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1cccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)cs2)c1 ZINC000737120360 598548985 /nfs/dbraw/zinc/54/89/85/598548985.db2.gz MNULCMPKVYZTBQ-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000737179198 598553437 /nfs/dbraw/zinc/55/34/37/598553437.db2.gz IZYUQEZDUVQAEP-SNVBAGLBSA-N -1 3 385.518 3.631 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000737179198 598553439 /nfs/dbraw/zinc/55/34/39/598553439.db2.gz IZYUQEZDUVQAEP-SNVBAGLBSA-N -1 3 385.518 3.631 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737178576 598553629 /nfs/dbraw/zinc/55/36/29/598553629.db2.gz AJTHLHRGHSCMJW-AWEZNQCLSA-N -1 3 397.504 3.692 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737178576 598553631 /nfs/dbraw/zinc/55/36/31/598553631.db2.gz AJTHLHRGHSCMJW-AWEZNQCLSA-N -1 3 397.504 3.692 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc(Cl)nc1 ZINC000738171686 598554041 /nfs/dbraw/zinc/55/40/41/598554041.db2.gz JJIFYCHDKOLVCL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc(Cl)nc1 ZINC000738171686 598554043 /nfs/dbraw/zinc/55/40/43/598554043.db2.gz JJIFYCHDKOLVCL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCc1onc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736714322 598554568 /nfs/dbraw/zinc/55/45/68/598554568.db2.gz VBVVPYZAARNHRQ-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1onc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736714322 598554570 /nfs/dbraw/zinc/55/45/70/598554570.db2.gz VBVVPYZAARNHRQ-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM Cc1ccc(C(=O)C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737306538 598555479 /nfs/dbraw/zinc/55/54/79/598555479.db2.gz CHWANXVZKQMVRC-UHFFFAOYSA-N -1 3 399.410 3.789 20 0 GHADHM Cc1ccc(C(=O)C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737306538 598555480 /nfs/dbraw/zinc/55/54/80/598555480.db2.gz CHWANXVZKQMVRC-UHFFFAOYSA-N -1 3 399.410 3.789 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc[nH]c1=S ZINC000738174441 598557525 /nfs/dbraw/zinc/55/75/25/598557525.db2.gz ZJIATZJHDDTHBD-UHFFFAOYSA-N -1 3 390.428 3.595 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc[nH]c1=S ZINC000738174441 598557526 /nfs/dbraw/zinc/55/75/26/598557526.db2.gz ZJIATZJHDDTHBD-UHFFFAOYSA-N -1 3 390.428 3.595 20 0 GHADHM CC(C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735887992 598558271 /nfs/dbraw/zinc/55/82/71/598558271.db2.gz HOUVYHJXVFEIQG-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM CC(C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735887992 598558273 /nfs/dbraw/zinc/55/82/73/598558273.db2.gz HOUVYHJXVFEIQG-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114977 598558603 /nfs/dbraw/zinc/55/86/03/598558603.db2.gz FNEFPPKQCIVEGH-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114977 598558606 /nfs/dbraw/zinc/55/86/06/598558606.db2.gz FNEFPPKQCIVEGH-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735796147 598561572 /nfs/dbraw/zinc/56/15/72/598561572.db2.gz VGYFVTAIFGPDEW-GFCCVEGCSA-N -1 3 380.399 3.511 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735796147 598561574 /nfs/dbraw/zinc/56/15/74/598561574.db2.gz VGYFVTAIFGPDEW-GFCCVEGCSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c2ccccc21 ZINC000736281577 598562366 /nfs/dbraw/zinc/56/23/66/598562366.db2.gz UOGHYNONEFWALR-SNVBAGLBSA-N -1 3 386.362 3.624 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c2ccccc21 ZINC000736281577 598562367 /nfs/dbraw/zinc/56/23/67/598562367.db2.gz UOGHYNONEFWALR-SNVBAGLBSA-N -1 3 386.362 3.624 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736369024 598565022 /nfs/dbraw/zinc/56/50/22/598565022.db2.gz JROFBUVUILELSN-BEFAXECRSA-N -1 3 378.480 3.667 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736369024 598565024 /nfs/dbraw/zinc/56/50/24/598565024.db2.gz JROFBUVUILELSN-BEFAXECRSA-N -1 3 378.480 3.667 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000736678293 598567838 /nfs/dbraw/zinc/56/78/38/598567838.db2.gz BFCAFVVPZQGHFZ-MNOVXSKESA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000736678293 598567840 /nfs/dbraw/zinc/56/78/40/598567840.db2.gz BFCAFVVPZQGHFZ-MNOVXSKESA-N -1 3 375.404 3.511 20 0 GHADHM O=C(CSc1nccn1-c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737953934 598568323 /nfs/dbraw/zinc/56/83/23/598568323.db2.gz OUDWCDPLBHHLGA-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM O=C(CSc1nccn1-c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737953934 598568324 /nfs/dbraw/zinc/56/83/24/598568324.db2.gz OUDWCDPLBHHLGA-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735929019 598570303 /nfs/dbraw/zinc/57/03/03/598570303.db2.gz WFQGBHHRXDQUKX-IBGZPJMESA-N -1 3 376.464 3.598 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737795567 598572577 /nfs/dbraw/zinc/57/25/77/598572577.db2.gz APKSLKSOHZOVOT-SEYXRHQNSA-N -1 3 375.432 3.840 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737795567 598572578 /nfs/dbraw/zinc/57/25/78/598572578.db2.gz APKSLKSOHZOVOT-SEYXRHQNSA-N -1 3 375.432 3.840 20 0 GHADHM COCc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1F ZINC000737017565 598580165 /nfs/dbraw/zinc/58/01/65/598580165.db2.gz WHXUXDKRPFPWJP-UHFFFAOYSA-N -1 3 381.333 3.783 20 0 GHADHM COCc1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1F ZINC000737017565 598580166 /nfs/dbraw/zinc/58/01/66/598580166.db2.gz WHXUXDKRPFPWJP-UHFFFAOYSA-N -1 3 381.333 3.783 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1cccc(C(F)(F)F)c1 ZINC000737802560 598585856 /nfs/dbraw/zinc/58/58/56/598585856.db2.gz PNJDMIPCNUERHC-CMDGGOBGSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1cccc(C(F)(F)F)c1 ZINC000737802560 598585858 /nfs/dbraw/zinc/58/58/58/598585858.db2.gz PNJDMIPCNUERHC-CMDGGOBGSA-N -1 3 388.349 3.685 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000735977713 598592042 /nfs/dbraw/zinc/59/20/42/598592042.db2.gz QZTOFUYZDZNVNI-CYBMUJFWSA-N -1 3 395.438 3.960 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000735977713 598592044 /nfs/dbraw/zinc/59/20/44/598592044.db2.gz QZTOFUYZDZNVNI-CYBMUJFWSA-N -1 3 395.438 3.960 20 0 GHADHM Cc1noc(C)c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737535740 598603464 /nfs/dbraw/zinc/60/34/64/598603464.db2.gz BDADJFUTYYISKC-UHFFFAOYSA-N -1 3 394.410 3.802 20 0 GHADHM Cc1noc(C)c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737535740 598603465 /nfs/dbraw/zinc/60/34/65/598603465.db2.gz BDADJFUTYYISKC-UHFFFAOYSA-N -1 3 394.410 3.802 20 0 GHADHM Cc1c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)sc2cccc(F)c12 ZINC000826234629 607362608 /nfs/dbraw/zinc/36/26/08/607362608.db2.gz HAYWNWPMEJGTSH-UHFFFAOYSA-N -1 3 396.403 3.569 20 0 GHADHM Cc1c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)sc2cccc(F)c12 ZINC000826234629 607362610 /nfs/dbraw/zinc/36/26/10/607362610.db2.gz HAYWNWPMEJGTSH-UHFFFAOYSA-N -1 3 396.403 3.569 20 0 GHADHM Fc1ccc(CSc2nnc(NC3CCCCC3)s2)c(-c2nnn[n-]2)c1 ZINC000737649505 598643692 /nfs/dbraw/zinc/64/36/92/598643692.db2.gz OTDVHPWDAYKJDB-UHFFFAOYSA-N -1 3 391.501 3.894 20 0 GHADHM Fc1ccc(CSc2nnc(NC3CCCCC3)s2)c(-c2nn[n-]n2)c1 ZINC000737649505 598643694 /nfs/dbraw/zinc/64/36/94/598643694.db2.gz OTDVHPWDAYKJDB-UHFFFAOYSA-N -1 3 391.501 3.894 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(SC(F)F)cc1 ZINC000737941241 598645985 /nfs/dbraw/zinc/64/59/85/598645985.db2.gz JSOUNNLYESHVLI-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(SC(F)F)cc1 ZINC000737941241 598645986 /nfs/dbraw/zinc/64/59/86/598645986.db2.gz JSOUNNLYESHVLI-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736506232 598648243 /nfs/dbraw/zinc/64/82/43/598648243.db2.gz YXUHENLGVMUWRP-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736506232 598648244 /nfs/dbraw/zinc/64/82/44/598648244.db2.gz YXUHENLGVMUWRP-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM Cc1cc(C)c(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737247646 598650501 /nfs/dbraw/zinc/65/05/01/598650501.db2.gz YRJMROBFRKAQDL-UHFFFAOYSA-N -1 3 393.491 3.657 20 0 GHADHM Cc1cc(C)c(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737247646 598650502 /nfs/dbraw/zinc/65/05/02/598650502.db2.gz YRJMROBFRKAQDL-UHFFFAOYSA-N -1 3 393.491 3.657 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccccc1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503362 598652093 /nfs/dbraw/zinc/65/20/93/598652093.db2.gz VQFUMAWPQHVFBQ-HZPDHXFCSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccccc1OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503362 598652094 /nfs/dbraw/zinc/65/20/94/598652094.db2.gz VQFUMAWPQHVFBQ-HZPDHXFCSA-N -1 3 393.491 3.979 20 0 GHADHM O=C(Nc1ccc2c(c1)CCO2)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738175589 598652798 /nfs/dbraw/zinc/65/27/98/598652798.db2.gz PKBPDMRDRJTCPY-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM O=C(Nc1ccc2c(c1)CCO2)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738175589 598652800 /nfs/dbraw/zinc/65/28/00/598652800.db2.gz PKBPDMRDRJTCPY-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000737953824 598652982 /nfs/dbraw/zinc/65/29/82/598652982.db2.gz CPLMJTBUICVCPL-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000737953824 598652984 /nfs/dbraw/zinc/65/29/84/598652984.db2.gz CPLMJTBUICVCPL-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736247358 598654747 /nfs/dbraw/zinc/65/47/47/598654747.db2.gz BXXJEDMWCMWGIY-LSDHHAIUSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736247358 598654748 /nfs/dbraw/zinc/65/47/48/598654748.db2.gz BXXJEDMWCMWGIY-LSDHHAIUSA-N -1 3 392.463 3.610 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(CC1CC1)C1CCCCC1 ZINC000737832211 598658111 /nfs/dbraw/zinc/65/81/11/598658111.db2.gz GIQIZVRVEJTQDV-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(CC1CC1)C1CCCCC1 ZINC000737832211 598658113 /nfs/dbraw/zinc/65/81/13/598658113.db2.gz GIQIZVRVEJTQDV-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736626265 598662750 /nfs/dbraw/zinc/66/27/50/598662750.db2.gz FUDWIXFAXNRPEA-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736626265 598662752 /nfs/dbraw/zinc/66/27/52/598662752.db2.gz FUDWIXFAXNRPEA-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736323195 598666482 /nfs/dbraw/zinc/66/64/82/598666482.db2.gz VNTDCSYAFYTEHB-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736323195 598666483 /nfs/dbraw/zinc/66/64/83/598666483.db2.gz VNTDCSYAFYTEHB-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737943257 598670408 /nfs/dbraw/zinc/67/04/08/598670408.db2.gz RGKKVWAQKYIGTR-HNNXBMFYSA-N -1 3 399.907 3.628 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737943257 598670410 /nfs/dbraw/zinc/67/04/10/598670410.db2.gz RGKKVWAQKYIGTR-HNNXBMFYSA-N -1 3 399.907 3.628 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737322218 598696786 /nfs/dbraw/zinc/69/67/86/598696786.db2.gz KGHLYNXIGOLTMD-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737322218 598696788 /nfs/dbraw/zinc/69/67/88/598696788.db2.gz KGHLYNXIGOLTMD-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1cccc(Cl)c1 ZINC000737849819 598697309 /nfs/dbraw/zinc/69/73/09/598697309.db2.gz HTCWSDWOVFTCIV-UHFFFAOYSA-N -1 3 391.859 3.921 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1cccc(Cl)c1 ZINC000737849819 598697310 /nfs/dbraw/zinc/69/73/10/598697310.db2.gz HTCWSDWOVFTCIV-UHFFFAOYSA-N -1 3 391.859 3.921 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737343305 598698109 /nfs/dbraw/zinc/69/81/09/598698109.db2.gz NIDUWENVIJBCIH-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737343305 598698110 /nfs/dbraw/zinc/69/81/10/598698110.db2.gz NIDUWENVIJBCIH-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(C2CC2)nc2ccccc21 ZINC000738232659 598705692 /nfs/dbraw/zinc/70/56/92/598705692.db2.gz VIBHGUIQIMBNBY-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(C2CC2)nc2ccccc21 ZINC000738232659 598705693 /nfs/dbraw/zinc/70/56/93/598705693.db2.gz VIBHGUIQIMBNBY-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736157099 598713125 /nfs/dbraw/zinc/71/31/25/598713125.db2.gz ZACLSTSBPRWLMH-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736157099 598713127 /nfs/dbraw/zinc/71/31/27/598713127.db2.gz ZACLSTSBPRWLMH-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM Cc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1NC(=O)C(C)(C)C ZINC000737360428 598715860 /nfs/dbraw/zinc/71/58/60/598715860.db2.gz NCCISKUXHFBTPK-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM Cc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)C(C)(C)C ZINC000737360428 598715861 /nfs/dbraw/zinc/71/58/61/598715861.db2.gz NCCISKUXHFBTPK-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736152277 598725683 /nfs/dbraw/zinc/72/56/83/598725683.db2.gz SKLJECMBJDXTLC-AWEZNQCLSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736152277 598725686 /nfs/dbraw/zinc/72/56/86/598725686.db2.gz SKLJECMBJDXTLC-AWEZNQCLSA-N -1 3 384.411 3.859 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)s1 ZINC000737841005 598726589 /nfs/dbraw/zinc/72/65/89/598726589.db2.gz IBBXQWHNGNCRBP-UHFFFAOYSA-N -1 3 392.868 3.874 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)s1 ZINC000737841005 598726590 /nfs/dbraw/zinc/72/65/90/598726590.db2.gz IBBXQWHNGNCRBP-UHFFFAOYSA-N -1 3 392.868 3.874 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1(c2ccc(F)cc2)CCCC1 ZINC000738167184 598726778 /nfs/dbraw/zinc/72/67/78/598726778.db2.gz NYJPQANCKMKJIG-UHFFFAOYSA-N -1 3 384.390 3.736 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1(c2ccc(F)cc2)CCCC1 ZINC000738167184 598726780 /nfs/dbraw/zinc/72/67/80/598726780.db2.gz NYJPQANCKMKJIG-UHFFFAOYSA-N -1 3 384.390 3.736 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000735907276 598729085 /nfs/dbraw/zinc/72/90/85/598729085.db2.gz ZXPKHZPRSJEHNK-ORAYPTAESA-N -1 3 392.463 3.709 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000735907276 598729086 /nfs/dbraw/zinc/72/90/86/598729086.db2.gz ZXPKHZPRSJEHNK-ORAYPTAESA-N -1 3 392.463 3.709 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2cc(Cl)ccc2[nH]1 ZINC000736138297 598747554 /nfs/dbraw/zinc/74/75/54/598747554.db2.gz QKLBUQVEPMBBSL-SSDOTTSWSA-N -1 3 375.223 3.618 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](CC)Cc1ccccc1 ZINC000736479078 598762973 /nfs/dbraw/zinc/76/29/73/598762973.db2.gz INFAMQDJSQREBZ-IBGZPJMESA-N -1 3 377.492 3.874 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](CC)Cc1ccccc1 ZINC000736479078 598762975 /nfs/dbraw/zinc/76/29/75/598762975.db2.gz INFAMQDJSQREBZ-IBGZPJMESA-N -1 3 377.492 3.874 20 0 GHADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)s1 ZINC000737490746 598763404 /nfs/dbraw/zinc/76/34/04/598763404.db2.gz WTWFJJOMKUJWQF-FPLPWBNLSA-N -1 3 386.506 3.614 20 0 GHADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)s1 ZINC000737490746 598763406 /nfs/dbraw/zinc/76/34/06/598763406.db2.gz WTWFJJOMKUJWQF-FPLPWBNLSA-N -1 3 386.506 3.614 20 0 GHADHM CCN(C(=O)C[C@@H](C)C(=O)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503206 598765837 /nfs/dbraw/zinc/76/58/37/598765837.db2.gz TXJYJTFNJPEFNX-HZPDHXFCSA-N -1 3 391.475 3.685 20 0 GHADHM CCN(C(=O)C[C@@H](C)C(=O)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503206 598765838 /nfs/dbraw/zinc/76/58/38/598765838.db2.gz TXJYJTFNJPEFNX-HZPDHXFCSA-N -1 3 391.475 3.685 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000736262016 598789598 /nfs/dbraw/zinc/78/95/98/598789598.db2.gz LZNRHSRAWCANAX-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000736262016 598789600 /nfs/dbraw/zinc/78/96/00/598789600.db2.gz LZNRHSRAWCANAX-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737151896 598790089 /nfs/dbraw/zinc/79/00/89/598790089.db2.gz GZOCECWUHKVUJI-UHFFFAOYSA-N -1 3 385.493 3.761 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737151896 598790091 /nfs/dbraw/zinc/79/00/91/598790091.db2.gz GZOCECWUHKVUJI-UHFFFAOYSA-N -1 3 385.493 3.761 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)C1CCSCC1 ZINC000738206708 598792058 /nfs/dbraw/zinc/79/20/58/598792058.db2.gz GPNGNAWTVVGUPZ-UHFFFAOYSA-N -1 3 397.529 3.776 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)C1CCSCC1 ZINC000738206708 598792060 /nfs/dbraw/zinc/79/20/60/598792060.db2.gz GPNGNAWTVVGUPZ-UHFFFAOYSA-N -1 3 397.529 3.776 20 0 GHADHM Fc1ccc(C2(CNc3ccc(Cl)cc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737653087 598794663 /nfs/dbraw/zinc/79/46/63/598794663.db2.gz YRCIAZXTFMACLJ-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(C2(CNc3ccc(Cl)cc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737653087 598794664 /nfs/dbraw/zinc/79/46/64/598794664.db2.gz YRCIAZXTFMACLJ-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737291477 598800703 /nfs/dbraw/zinc/80/07/03/598800703.db2.gz MOLROZZYIXTAHP-KRWDZBQOSA-N -1 3 384.390 3.822 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737291477 598800704 /nfs/dbraw/zinc/80/07/04/598800704.db2.gz MOLROZZYIXTAHP-KRWDZBQOSA-N -1 3 384.390 3.822 20 0 GHADHM CC(C)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735704105 598803675 /nfs/dbraw/zinc/80/36/75/598803675.db2.gz ZWQVIYRHYRVEKZ-OAHLLOKOSA-N -1 3 381.455 3.827 20 0 GHADHM CC(C)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735704105 598803676 /nfs/dbraw/zinc/80/36/76/598803676.db2.gz ZWQVIYRHYRVEKZ-OAHLLOKOSA-N -1 3 381.455 3.827 20 0 GHADHM CC(C)[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735699575 598805050 /nfs/dbraw/zinc/80/50/50/598805050.db2.gz ADTUEHZYIOWSIQ-ZDUSSCGKSA-N -1 3 383.427 3.815 20 0 GHADHM CC(C)[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735699575 598805052 /nfs/dbraw/zinc/80/50/52/598805052.db2.gz ADTUEHZYIOWSIQ-ZDUSSCGKSA-N -1 3 383.427 3.815 20 0 GHADHM Cc1cc2nc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c3ccccc3n2n1 ZINC000737284368 598815381 /nfs/dbraw/zinc/81/53/81/598815381.db2.gz JZZJGLDSMCMNOZ-UHFFFAOYSA-N -1 3 396.458 3.540 20 0 GHADHM Cc1cc2nc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c3ccccc3n2n1 ZINC000737284368 598815383 /nfs/dbraw/zinc/81/53/83/598815383.db2.gz JZZJGLDSMCMNOZ-UHFFFAOYSA-N -1 3 396.458 3.540 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334350 598821891 /nfs/dbraw/zinc/82/18/91/598821891.db2.gz GAPVPOXPPPTMFH-MRXNPFEDSA-N -1 3 378.505 3.579 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334350 598821893 /nfs/dbraw/zinc/82/18/93/598821893.db2.gz GAPVPOXPPPTMFH-MRXNPFEDSA-N -1 3 378.505 3.579 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1nc(CCc2ccccc2)no1 ZINC000822761401 599300410 /nfs/dbraw/zinc/30/04/10/599300410.db2.gz LHPHWDISWMOHEW-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1nc(CCc2ccccc2)no1 ZINC000822761401 599300413 /nfs/dbraw/zinc/30/04/13/599300413.db2.gz LHPHWDISWMOHEW-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cc(-c2ccccc2)no1 ZINC000821749298 607367876 /nfs/dbraw/zinc/36/78/76/607367876.db2.gz FUIQTLGOZBRFEU-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM O=C([C@@H]1C[C@@]12CCCc1ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822916782 599311629 /nfs/dbraw/zinc/31/16/29/599311629.db2.gz DBKBSOKXYFJICM-XUZZJYLKSA-N -1 3 399.498 3.652 20 0 GHADHM O=C([C@@H]1C[C@@]12CCCc1ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822916782 599311632 /nfs/dbraw/zinc/31/16/32/599311632.db2.gz DBKBSOKXYFJICM-XUZZJYLKSA-N -1 3 399.498 3.652 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506461 599312668 /nfs/dbraw/zinc/31/26/68/599312668.db2.gz ZBNXHAPRIXOZIB-UHFFFAOYSA-N -1 3 377.379 3.933 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506461 599312670 /nfs/dbraw/zinc/31/26/70/599312670.db2.gz ZBNXHAPRIXOZIB-UHFFFAOYSA-N -1 3 377.379 3.933 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1CCCS1 ZINC000822211833 599316363 /nfs/dbraw/zinc/31/63/63/599316363.db2.gz PWEFPCASOKOCLP-QGZVFWFLSA-N -1 3 381.461 3.802 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1CCCS1 ZINC000822211833 599316368 /nfs/dbraw/zinc/31/63/68/599316368.db2.gz PWEFPCASOKOCLP-QGZVFWFLSA-N -1 3 381.461 3.802 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2cccc(Br)c2C1 ZINC000736201896 599321361 /nfs/dbraw/zinc/32/13/61/599321361.db2.gz YGCOOXQVKWRGJR-GFCCVEGCSA-N -1 3 384.281 3.749 20 0 GHADHM C[C@H](SCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189568 599327416 /nfs/dbraw/zinc/32/74/16/599327416.db2.gz PUUNOOZGGFMVSF-GJZGRUSLSA-N -1 3 381.505 3.881 20 0 GHADHM C[C@H](SCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189568 599327419 /nfs/dbraw/zinc/32/74/19/599327419.db2.gz PUUNOOZGGFMVSF-GJZGRUSLSA-N -1 3 381.505 3.881 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191077 599330755 /nfs/dbraw/zinc/33/07/55/599330755.db2.gz VRUTUELJQRZNHV-KBXCAEBGSA-N -1 3 379.489 3.857 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191077 599330758 /nfs/dbraw/zinc/33/07/58/599330758.db2.gz VRUTUELJQRZNHV-KBXCAEBGSA-N -1 3 379.489 3.857 20 0 GHADHM Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000737356080 599332859 /nfs/dbraw/zinc/33/28/59/599332859.db2.gz DLOPBLNNMMMBOQ-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000737356080 599332862 /nfs/dbraw/zinc/33/28/62/599332862.db2.gz DLOPBLNNMMMBOQ-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CCCCCCC1 ZINC000737895085 599334340 /nfs/dbraw/zinc/33/43/40/599334340.db2.gz LEFVEVQYIJAUKW-UHFFFAOYSA-N -1 3 396.417 3.527 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CCCCCCC1 ZINC000737895085 599334343 /nfs/dbraw/zinc/33/43/43/599334343.db2.gz LEFVEVQYIJAUKW-UHFFFAOYSA-N -1 3 396.417 3.527 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737380186 599344116 /nfs/dbraw/zinc/34/41/16/599344116.db2.gz MPLQCIVIKZOLDC-LJQANCHMSA-N -1 3 399.458 3.543 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737380186 599344119 /nfs/dbraw/zinc/34/41/19/599344119.db2.gz MPLQCIVIKZOLDC-LJQANCHMSA-N -1 3 399.458 3.543 20 0 GHADHM Brc1ccc(NCCCOC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000735369887 599360864 /nfs/dbraw/zinc/36/08/64/599360864.db2.gz ZWHZUCWRRDSGSK-UHFFFAOYSA-N -1 3 380.290 3.781 20 0 GHADHM Brc1ccc(NCCCOC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000735369887 599360865 /nfs/dbraw/zinc/36/08/65/599360865.db2.gz ZWHZUCWRRDSGSK-UHFFFAOYSA-N -1 3 380.290 3.781 20 0 GHADHM CCN(C(=O)COc1cccc(Cl)c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504158 599371771 /nfs/dbraw/zinc/37/17/71/599371771.db2.gz AQJLNRFILFCNTB-AWEZNQCLSA-N -1 3 399.882 3.817 20 0 GHADHM CCN(C(=O)COc1cccc(Cl)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504158 599371774 /nfs/dbraw/zinc/37/17/74/599371774.db2.gz AQJLNRFILFCNTB-AWEZNQCLSA-N -1 3 399.882 3.817 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)CCCSC)cc1 ZINC000737033285 599373938 /nfs/dbraw/zinc/37/39/38/599373938.db2.gz WOIOSOOLHJBNSQ-UHFFFAOYSA-N -1 3 399.476 3.749 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)CCCSC)cc1 ZINC000737033285 599373941 /nfs/dbraw/zinc/37/39/41/599373941.db2.gz WOIOSOOLHJBNSQ-UHFFFAOYSA-N -1 3 399.476 3.749 20 0 GHADHM CCSCc1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000821461140 599380690 /nfs/dbraw/zinc/38/06/90/599380690.db2.gz KHGKAKSEGSLASR-CYBMUJFWSA-N -1 3 382.493 3.559 20 0 GHADHM CCSCc1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000821461140 599380693 /nfs/dbraw/zinc/38/06/93/599380693.db2.gz KHGKAKSEGSLASR-CYBMUJFWSA-N -1 3 382.493 3.559 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415117 607372509 /nfs/dbraw/zinc/37/25/09/607372509.db2.gz RWMOSHYXZDDUAZ-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415117 607372510 /nfs/dbraw/zinc/37/25/10/607372510.db2.gz RWMOSHYXZDDUAZ-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM FC(F)Oc1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737639771 599397904 /nfs/dbraw/zinc/39/79/04/599397904.db2.gz WRXMOMWPEMBPKF-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM FC(F)Oc1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737639771 599397909 /nfs/dbraw/zinc/39/79/09/599397909.db2.gz WRXMOMWPEMBPKF-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCC[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358846 599422516 /nfs/dbraw/zinc/42/25/16/599422516.db2.gz PLLIUKDSOFACIM-YSSFQJQWSA-N -1 3 390.491 3.953 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCC[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358846 599422519 /nfs/dbraw/zinc/42/25/19/599422519.db2.gz PLLIUKDSOFACIM-YSSFQJQWSA-N -1 3 390.491 3.953 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821023093 599445971 /nfs/dbraw/zinc/44/59/71/599445971.db2.gz WCEHITLFOXBDFQ-SFHVURJKSA-N -1 3 396.470 3.607 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821023093 599445973 /nfs/dbraw/zinc/44/59/73/599445973.db2.gz WCEHITLFOXBDFQ-SFHVURJKSA-N -1 3 396.470 3.607 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000819908257 599462600 /nfs/dbraw/zinc/46/26/00/599462600.db2.gz YJNGUODXRGLFRP-GOSISDBHSA-N -1 3 396.470 3.983 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000819908257 599462603 /nfs/dbraw/zinc/46/26/03/599462603.db2.gz YJNGUODXRGLFRP-GOSISDBHSA-N -1 3 396.470 3.983 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736236674 599463108 /nfs/dbraw/zinc/46/31/08/599463108.db2.gz STFJOAPIGCWNAA-GXTWGEPZSA-N -1 3 382.468 3.581 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736236674 599463110 /nfs/dbraw/zinc/46/31/10/599463110.db2.gz STFJOAPIGCWNAA-GXTWGEPZSA-N -1 3 382.468 3.581 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820555633 599465186 /nfs/dbraw/zinc/46/51/86/599465186.db2.gz ONFNENRACFMUCC-LBPRGKRZSA-N -1 3 394.410 3.655 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820555633 599465187 /nfs/dbraw/zinc/46/51/87/599465187.db2.gz ONFNENRACFMUCC-LBPRGKRZSA-N -1 3 394.410 3.655 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820342920 599472917 /nfs/dbraw/zinc/47/29/17/599472917.db2.gz YQXGKCVVCSLNFR-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820342920 599472918 /nfs/dbraw/zinc/47/29/18/599472918.db2.gz YQXGKCVVCSLNFR-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821777641 599474719 /nfs/dbraw/zinc/47/47/19/599474719.db2.gz KFANVGXMSHJKFO-LIRRHRJNSA-N -1 3 394.479 3.633 20 0 GHADHM COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821777641 599474721 /nfs/dbraw/zinc/47/47/21/599474721.db2.gz KFANVGXMSHJKFO-LIRRHRJNSA-N -1 3 394.479 3.633 20 0 GHADHM C[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356887 599475828 /nfs/dbraw/zinc/47/58/28/599475828.db2.gz BTJMTANPCCJXKL-FVWXCPNNSA-N -1 3 390.491 3.953 20 0 GHADHM C[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356887 599475830 /nfs/dbraw/zinc/47/58/30/599475830.db2.gz BTJMTANPCCJXKL-FVWXCPNNSA-N -1 3 390.491 3.953 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000822225341 599488100 /nfs/dbraw/zinc/48/81/00/599488100.db2.gz ZIAQDXKDPDZNLR-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000822225341 599488102 /nfs/dbraw/zinc/48/81/02/599488102.db2.gz ZIAQDXKDPDZNLR-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820232913 607381388 /nfs/dbraw/zinc/38/13/88/607381388.db2.gz HYUDPICDWOATSQ-APPDUMDISA-N -1 3 396.401 3.617 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820232913 607381389 /nfs/dbraw/zinc/38/13/89/607381389.db2.gz HYUDPICDWOATSQ-APPDUMDISA-N -1 3 396.401 3.617 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110642 599492427 /nfs/dbraw/zinc/49/24/27/599492427.db2.gz IUHGDQQTUPQMNR-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110642 599492429 /nfs/dbraw/zinc/49/24/29/599492429.db2.gz IUHGDQQTUPQMNR-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000820116572 599493735 /nfs/dbraw/zinc/49/37/35/599493735.db2.gz KFFUQRKMTWQVRW-REWPJTCUSA-N -1 3 387.487 3.508 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000820116572 599493738 /nfs/dbraw/zinc/49/37/38/599493738.db2.gz KFFUQRKMTWQVRW-REWPJTCUSA-N -1 3 387.487 3.508 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000820116563 599494089 /nfs/dbraw/zinc/49/40/89/599494089.db2.gz KFFUQRKMTWQVRW-NFBKMPQASA-N -1 3 387.487 3.508 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000820116563 599494090 /nfs/dbraw/zinc/49/40/90/599494090.db2.gz KFFUQRKMTWQVRW-NFBKMPQASA-N -1 3 387.487 3.508 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N[C@@H]1CC=CCC1 ZINC000738172405 599502224 /nfs/dbraw/zinc/50/22/24/599502224.db2.gz LAMHVUDKGLNDGL-OAHLLOKOSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N[C@@H]1CC=CCC1 ZINC000738172405 599502227 /nfs/dbraw/zinc/50/22/27/599502227.db2.gz LAMHVUDKGLNDGL-OAHLLOKOSA-N -1 3 376.420 3.889 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000737290771 599502369 /nfs/dbraw/zinc/50/23/69/599502369.db2.gz GDIKAZFYTWMXMY-BBRMVZONSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000737290771 599502372 /nfs/dbraw/zinc/50/23/72/599502372.db2.gz GDIKAZFYTWMXMY-BBRMVZONSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000737291087 599502818 /nfs/dbraw/zinc/50/28/18/599502818.db2.gz HRCQMIVUFDJDCL-ZDUSSCGKSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000737291087 599502821 /nfs/dbraw/zinc/50/28/21/599502821.db2.gz HRCQMIVUFDJDCL-ZDUSSCGKSA-N -1 3 384.871 3.923 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736116205 599503486 /nfs/dbraw/zinc/50/34/86/599503486.db2.gz LMKIRXUPCFCKHL-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736116205 599503490 /nfs/dbraw/zinc/50/34/90/599503490.db2.gz LMKIRXUPCFCKHL-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737181636 599504452 /nfs/dbraw/zinc/50/44/52/599504452.db2.gz MBDHBQVKDCFSLB-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737181636 599504454 /nfs/dbraw/zinc/50/44/54/599504454.db2.gz MBDHBQVKDCFSLB-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335358 599511707 /nfs/dbraw/zinc/51/17/07/599511707.db2.gz WVZNORPSQQSNSK-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335358 599511709 /nfs/dbraw/zinc/51/17/09/599511709.db2.gz WVZNORPSQQSNSK-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821600676 599516334 /nfs/dbraw/zinc/51/63/34/599516334.db2.gz YCLFCQZNMIPLOK-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821600676 599516335 /nfs/dbraw/zinc/51/63/35/599516335.db2.gz YCLFCQZNMIPLOK-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820005677 599518461 /nfs/dbraw/zinc/51/84/61/599518461.db2.gz WBBJSZNTORZAJE-OAHLLOKOSA-N -1 3 377.448 3.703 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820005677 599518463 /nfs/dbraw/zinc/51/84/63/599518463.db2.gz WBBJSZNTORZAJE-OAHLLOKOSA-N -1 3 377.448 3.703 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335373 599519566 /nfs/dbraw/zinc/51/95/66/599519566.db2.gz XETWVGVOSROTBY-MRXNPFEDSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335373 599519568 /nfs/dbraw/zinc/51/95/68/599519568.db2.gz XETWVGVOSROTBY-MRXNPFEDSA-N -1 3 383.455 3.954 20 0 GHADHM Fc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000822766833 599521743 /nfs/dbraw/zinc/52/17/43/599521743.db2.gz OODKASROAMFTRY-HNNXBMFYSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000822766833 599521745 /nfs/dbraw/zinc/52/17/45/599521745.db2.gz OODKASROAMFTRY-HNNXBMFYSA-N -1 3 394.237 3.891 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000119184228 599538477 /nfs/dbraw/zinc/53/84/77/599538477.db2.gz VEDOULDGJJHZDW-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000119184228 599538478 /nfs/dbraw/zinc/53/84/78/599538478.db2.gz VEDOULDGJJHZDW-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820686568 599548089 /nfs/dbraw/zinc/54/80/89/599548089.db2.gz YKGVAIXARALZMR-LSDHHAIUSA-N -1 3 376.464 3.871 20 0 GHADHM C[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380362 599556730 /nfs/dbraw/zinc/55/67/30/599556730.db2.gz RBWYZGVKSDSXBS-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380362 599556733 /nfs/dbraw/zinc/55/67/33/599556733.db2.gz RBWYZGVKSDSXBS-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CCC3(CCCC3)CC2)c1-c1nnn[n-]1 ZINC000737189777 599579176 /nfs/dbraw/zinc/57/91/76/599579176.db2.gz QJDHJUJRVTUHQZ-UHFFFAOYSA-N -1 3 398.536 3.657 20 0 GHADHM C[C@@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136134 599598266 /nfs/dbraw/zinc/59/82/66/599598266.db2.gz COHGOCCFGVQLFP-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136134 599598268 /nfs/dbraw/zinc/59/82/68/599598268.db2.gz COHGOCCFGVQLFP-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736059884 599607482 /nfs/dbraw/zinc/60/74/82/599607482.db2.gz XPFOGUZQBKKHPD-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736059884 599607484 /nfs/dbraw/zinc/60/74/84/599607484.db2.gz XPFOGUZQBKKHPD-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736395150 599609912 /nfs/dbraw/zinc/60/99/12/599609912.db2.gz GYPJYMMUZMWXSV-QGZVFWFLSA-N -1 3 395.467 3.664 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736395150 599609913 /nfs/dbraw/zinc/60/99/13/599609913.db2.gz GYPJYMMUZMWXSV-QGZVFWFLSA-N -1 3 395.467 3.664 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736361671 599611258 /nfs/dbraw/zinc/61/12/58/599611258.db2.gz HIDAQPFKHNFDKZ-OAHLLOKOSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736361671 599611259 /nfs/dbraw/zinc/61/12/59/599611259.db2.gz HIDAQPFKHNFDKZ-OAHLLOKOSA-N -1 3 376.342 3.557 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738165837 599612514 /nfs/dbraw/zinc/61/25/14/599612514.db2.gz FGRUFYKZVWDMSU-KDOFPFPSSA-N -1 3 380.427 3.539 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738165837 599612517 /nfs/dbraw/zinc/61/25/17/599612517.db2.gz FGRUFYKZVWDMSU-KDOFPFPSSA-N -1 3 380.427 3.539 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820488434 599621478 /nfs/dbraw/zinc/62/14/78/599621478.db2.gz OCDOSGDQQCWIFF-IDVQTMNDSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820488434 599621479 /nfs/dbraw/zinc/62/14/79/599621479.db2.gz OCDOSGDQQCWIFF-IDVQTMNDSA-N -1 3 383.477 3.938 20 0 GHADHM O=C(Cc1cc(F)ccc1F)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823074215 599629130 /nfs/dbraw/zinc/62/91/30/599629130.db2.gz MSEGAQULJJXKLM-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(Cc1cc(F)ccc1F)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823074215 599629131 /nfs/dbraw/zinc/62/91/31/599629131.db2.gz MSEGAQULJJXKLM-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821388925 599629247 /nfs/dbraw/zinc/62/92/47/599629247.db2.gz AYSZLCCGSKWUDX-UHFFFAOYSA-N -1 3 397.454 3.703 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821388925 599629248 /nfs/dbraw/zinc/62/92/48/599629248.db2.gz AYSZLCCGSKWUDX-UHFFFAOYSA-N -1 3 397.454 3.703 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1SCCc2sccc21 ZINC000823331572 599629872 /nfs/dbraw/zinc/62/98/72/599629872.db2.gz FLMSWNUATCFAIJ-CYBMUJFWSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1SCCc2sccc21 ZINC000823331572 599629873 /nfs/dbraw/zinc/62/98/73/599629873.db2.gz FLMSWNUATCFAIJ-CYBMUJFWSA-N -1 3 377.882 3.551 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820691427 599630117 /nfs/dbraw/zinc/63/01/17/599630117.db2.gz XEKABGZWWWTMFN-QWHCGFSZSA-N -1 3 389.525 3.873 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820691427 599630118 /nfs/dbraw/zinc/63/01/18/599630118.db2.gz XEKABGZWWWTMFN-QWHCGFSZSA-N -1 3 389.525 3.873 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820937924 599630357 /nfs/dbraw/zinc/63/03/57/599630357.db2.gz FIAPXJNOWDGJOP-KBMXLJTQSA-N -1 3 388.516 3.736 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820937924 599630358 /nfs/dbraw/zinc/63/03/58/599630358.db2.gz FIAPXJNOWDGJOP-KBMXLJTQSA-N -1 3 388.516 3.736 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(CC)(CC)c1ccccc1 ZINC000821400801 599630539 /nfs/dbraw/zinc/63/05/39/599630539.db2.gz PCZAUGPVGADGET-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(CC)(CC)c1ccccc1 ZINC000821400801 599630540 /nfs/dbraw/zinc/63/05/40/599630540.db2.gz PCZAUGPVGADGET-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000819891594 599633388 /nfs/dbraw/zinc/63/33/88/599633388.db2.gz CIQSUBZUUHQUPL-UHFFFAOYSA-N -1 3 381.383 3.863 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000819891594 599633389 /nfs/dbraw/zinc/63/33/89/599633389.db2.gz CIQSUBZUUHQUPL-UHFFFAOYSA-N -1 3 381.383 3.863 20 0 GHADHM C[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1C(F)(F)F ZINC000819884139 599665581 /nfs/dbraw/zinc/66/55/81/599665581.db2.gz RZRIPGNAEFQLHU-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1C(F)(F)F ZINC000819884139 599665582 /nfs/dbraw/zinc/66/55/82/599665582.db2.gz RZRIPGNAEFQLHU-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819965448 599671021 /nfs/dbraw/zinc/67/10/21/599671021.db2.gz HFOWYQOBISVIDE-VOTSOKGWSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819965448 599671022 /nfs/dbraw/zinc/67/10/22/599671022.db2.gz HFOWYQOBISVIDE-VOTSOKGWSA-N -1 3 387.440 3.516 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820967897 599675977 /nfs/dbraw/zinc/67/59/77/599675977.db2.gz XYXDVTXYQXPBRS-CJNGLKHVSA-N -1 3 396.520 3.925 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822232784 599679199 /nfs/dbraw/zinc/67/91/99/599679199.db2.gz AYBANMWTPHMNEC-LJQANCHMSA-N -1 3 394.454 3.751 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822232784 599679200 /nfs/dbraw/zinc/67/92/00/599679200.db2.gz AYBANMWTPHMNEC-LJQANCHMSA-N -1 3 394.454 3.751 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822232891 599679761 /nfs/dbraw/zinc/67/97/61/599679761.db2.gz DAGIIQRWBKQFIP-YVEFUNNKSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822232891 599679762 /nfs/dbraw/zinc/67/97/62/599679762.db2.gz DAGIIQRWBKQFIP-YVEFUNNKSA-N -1 3 398.442 3.590 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340422 599679934 /nfs/dbraw/zinc/67/99/34/599679934.db2.gz KGTCFQLSKLIVPK-CQSZACIVSA-N -1 3 380.452 3.675 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340422 599679935 /nfs/dbraw/zinc/67/99/35/599679935.db2.gz KGTCFQLSKLIVPK-CQSZACIVSA-N -1 3 380.452 3.675 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820097154 599691335 /nfs/dbraw/zinc/69/13/35/599691335.db2.gz KNVBGEZBEFMRDO-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820097154 599691336 /nfs/dbraw/zinc/69/13/36/599691336.db2.gz KNVBGEZBEFMRDO-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000121106573 599693209 /nfs/dbraw/zinc/69/32/09/599693209.db2.gz AMJMZCFQHDXAOR-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000121106573 599693210 /nfs/dbraw/zinc/69/32/10/599693210.db2.gz AMJMZCFQHDXAOR-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000819865004 599697648 /nfs/dbraw/zinc/69/76/48/599697648.db2.gz BSXBWFPQBMROKH-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000819865004 599697649 /nfs/dbraw/zinc/69/76/49/599697649.db2.gz BSXBWFPQBMROKH-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000819877505 599700281 /nfs/dbraw/zinc/70/02/81/599700281.db2.gz XHGXSVZVAHSYHO-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737370461 599714992 /nfs/dbraw/zinc/71/49/92/599714992.db2.gz QUOSMSFAUZDLMJ-UHFFFAOYSA-N -1 3 388.443 3.554 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1F ZINC000740008958 599717852 /nfs/dbraw/zinc/71/78/52/599717852.db2.gz UBQLNFNEBVXDNO-SFHVURJKSA-N -1 3 386.427 3.874 20 0 GHADHM CC(C)OCc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824315462 607392800 /nfs/dbraw/zinc/39/28/00/607392800.db2.gz ODOVMOYCJWPEGL-UHFFFAOYSA-N -1 3 392.463 3.603 20 0 GHADHM CC(C)OCc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824315462 607392801 /nfs/dbraw/zinc/39/28/01/607392801.db2.gz ODOVMOYCJWPEGL-UHFFFAOYSA-N -1 3 392.463 3.603 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000738560285 599825131 /nfs/dbraw/zinc/82/51/31/599825131.db2.gz LHOXYNHCVLRVGV-OAQYLSRUSA-N -1 3 395.503 3.971 20 0 GHADHM Cc1cc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)oc1C(=O)[O-] ZINC000576830255 599850490 /nfs/dbraw/zinc/85/04/90/599850490.db2.gz QWQQSQSLPJHDQM-AWEZNQCLSA-N -1 3 385.395 3.855 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820161334 607401914 /nfs/dbraw/zinc/40/19/14/607401914.db2.gz VMLZPORAXMFETH-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820161334 607401916 /nfs/dbraw/zinc/40/19/16/607401916.db2.gz VMLZPORAXMFETH-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347766 607415398 /nfs/dbraw/zinc/41/53/98/607415398.db2.gz NCIOUWMDMHCQFS-UXHICEINSA-N -1 3 387.487 3.899 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347766 607415399 /nfs/dbraw/zinc/41/53/99/607415399.db2.gz NCIOUWMDMHCQFS-UXHICEINSA-N -1 3 387.487 3.899 20 0 GHADHM O=C([O-])c1ccc(CCC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000739260660 600042512 /nfs/dbraw/zinc/04/25/12/600042512.db2.gz RTQMXCWVZUJKKI-UHFFFAOYSA-N -1 3 398.528 3.547 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830212 607433979 /nfs/dbraw/zinc/43/39/79/607433979.db2.gz OSDZYLANDFKZAJ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830212 607433980 /nfs/dbraw/zinc/43/39/80/607433980.db2.gz OSDZYLANDFKZAJ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CNC(=O)c1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000737550192 600284375 /nfs/dbraw/zinc/28/43/75/600284375.db2.gz HOSOQDYFXCFANI-INIZCTEOSA-N -1 3 381.259 3.611 20 0 GHADHM CN(Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1)C(=O)[O-] ZINC000737479429 600306911 /nfs/dbraw/zinc/30/69/11/600306911.db2.gz YROISYHHDGFWNY-GOSISDBHSA-N -1 3 399.466 3.786 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CN[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000740024876 600320864 /nfs/dbraw/zinc/32/08/64/600320864.db2.gz MPKSIAPAFVLFCR-OAQYLSRUSA-N -1 3 381.476 3.914 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)N(C)C)cc1 ZINC000738559475 600343714 /nfs/dbraw/zinc/34/37/14/600343714.db2.gz ILBDOGLHRWNOEH-LJQANCHMSA-N -1 3 384.480 3.529 20 0 GHADHM Cc1ccc(NC(=O)C2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)nc1 ZINC000738615903 600398631 /nfs/dbraw/zinc/39/86/31/600398631.db2.gz MBRQKJXHRWUZFR-SFHVURJKSA-N -1 3 387.867 3.520 20 0 GHADHM Cc1ccc([C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C2CC2)cc1 ZINC000826284548 607448541 /nfs/dbraw/zinc/44/85/41/607448541.db2.gz XBQFMNXEWNCFOS-LJQANCHMSA-N -1 3 388.475 3.615 20 0 GHADHM Cc1ccc([C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C2CC2)cc1 ZINC000826284548 607448542 /nfs/dbraw/zinc/44/85/42/607448542.db2.gz XBQFMNXEWNCFOS-LJQANCHMSA-N -1 3 388.475 3.615 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000738709863 600516848 /nfs/dbraw/zinc/51/68/48/600516848.db2.gz YNTBAHZSFLRSIT-UHFFFAOYSA-N -1 3 389.883 3.942 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000821569371 607450525 /nfs/dbraw/zinc/45/05/25/607450525.db2.gz IEAABIBMRAFELN-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000821569371 607450528 /nfs/dbraw/zinc/45/05/28/607450528.db2.gz IEAABIBMRAFELN-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCOCC1 ZINC000824047090 607894602 /nfs/dbraw/zinc/89/46/02/607894602.db2.gz XDXHDEBYAHTQGF-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM CN(C)Cc1cccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000737371143 600802120 /nfs/dbraw/zinc/80/21/20/600802120.db2.gz YOCHADANSGVBBA-QFIPXVFZSA-N -1 3 390.483 3.575 20 0 GHADHM COc1ccc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000652373381 600815722 /nfs/dbraw/zinc/81/57/22/600815722.db2.gz YHBCEBOCPAKGMW-UHFFFAOYSA-N -1 3 379.840 3.566 20 0 GHADHM Cc1ccnc(NC[C@@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)c1 ZINC000832984689 600827408 /nfs/dbraw/zinc/82/74/08/600827408.db2.gz XTMVEOJTBTXZLR-HNNXBMFYSA-N -1 3 389.883 3.554 20 0 GHADHM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821882914 607480614 /nfs/dbraw/zinc/48/06/14/607480614.db2.gz NLVABPSZHDPQOZ-OAQYLSRUSA-N -1 3 389.434 3.894 20 0 GHADHM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821882914 607480616 /nfs/dbraw/zinc/48/06/16/607480616.db2.gz NLVABPSZHDPQOZ-OAQYLSRUSA-N -1 3 389.434 3.894 20 0 GHADHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000832945255 601139810 /nfs/dbraw/zinc/13/98/10/601139810.db2.gz SWQXVUIQSOOQML-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825021741 607514032 /nfs/dbraw/zinc/51/40/32/607514032.db2.gz UBTZYVXLONOEDD-SNVBAGLBSA-N -1 3 375.263 3.688 20 0 GHADHM CCCN1CCN(c2ccccc2CNc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000829507669 601560443 /nfs/dbraw/zinc/56/04/43/601560443.db2.gz FGSPCOQOHWXAHE-UHFFFAOYSA-N -1 3 396.535 3.941 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000833033334 601626843 /nfs/dbraw/zinc/62/68/43/601626843.db2.gz ZVIYCCZKJOCNOL-UHFFFAOYSA-N -1 3 384.461 3.579 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccccc1 ZINC000828277090 601654362 /nfs/dbraw/zinc/65/43/62/601654362.db2.gz IFKIILLRXJECJM-VWKPWSFCSA-N -1 3 398.528 3.956 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000826052633 601655353 /nfs/dbraw/zinc/65/53/53/601655353.db2.gz GZRFALFJPVPUMZ-SJKOYZFVSA-N -1 3 394.443 3.991 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000426757831 601655972 /nfs/dbraw/zinc/65/59/72/601655972.db2.gz FTYIFMZQANHNLP-ZBEGNZNMSA-N -1 3 392.249 3.729 20 0 GHADHM CCN(C(=O)c1cnn(CCC(C)C)c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390419 607531838 /nfs/dbraw/zinc/53/18/38/607531838.db2.gz DLCDTKCRABJRKI-OAHLLOKOSA-N -1 3 395.511 3.641 20 0 GHADHM CCN(C(=O)c1cnn(CCC(C)C)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390419 607531840 /nfs/dbraw/zinc/53/18/40/607531840.db2.gz DLCDTKCRABJRKI-OAHLLOKOSA-N -1 3 395.511 3.641 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2cccc(Br)c2)C(=O)[O-])c1 ZINC000832048796 602165513 /nfs/dbraw/zinc/16/55/13/602165513.db2.gz ANWXNKOPADDLQZ-DIFFPNOSSA-N -1 3 394.265 3.943 20 0 GHADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824662581 607562709 /nfs/dbraw/zinc/56/27/09/607562709.db2.gz NMJOIBSUKWXBPG-XOBRGWDASA-N -1 3 397.454 3.743 20 0 GHADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824662581 607562710 /nfs/dbraw/zinc/56/27/10/607562710.db2.gz NMJOIBSUKWXBPG-XOBRGWDASA-N -1 3 397.454 3.743 20 0 GHADHM Cc1nccn1CCCCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000826262816 607563249 /nfs/dbraw/zinc/56/32/49/607563249.db2.gz ZNNKUOWEXVXVMO-UHFFFAOYSA-N -1 3 397.430 3.666 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cc(F)c(F)cc1F ZINC000826460778 607575774 /nfs/dbraw/zinc/57/57/74/607575774.db2.gz SDMMFXGPZSKMDH-UHFFFAOYSA-N -1 3 393.394 3.867 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cc(F)c(F)cc1F ZINC000826460778 607575776 /nfs/dbraw/zinc/57/57/76/607575776.db2.gz SDMMFXGPZSKMDH-UHFFFAOYSA-N -1 3 393.394 3.867 20 0 GHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825028396 607577346 /nfs/dbraw/zinc/57/73/46/607577346.db2.gz HQEVAWIBISYHLS-SXWSKBOKSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825028396 607577348 /nfs/dbraw/zinc/57/73/48/607577348.db2.gz HQEVAWIBISYHLS-SXWSKBOKSA-N -1 3 377.448 3.546 20 0 GHADHM CC[C@@H](SC)C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000825160186 607578191 /nfs/dbraw/zinc/57/81/91/607578191.db2.gz YCMVSOPWOKMZNG-GOSISDBHSA-N -1 3 399.495 3.989 20 0 GHADHM CC[C@@H](SC)C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000825160186 607578194 /nfs/dbraw/zinc/57/81/94/607578194.db2.gz YCMVSOPWOKMZNG-GOSISDBHSA-N -1 3 399.495 3.989 20 0 GHADHM COc1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1-c1nnn[n-]1 ZINC000826205762 607595758 /nfs/dbraw/zinc/59/57/58/607595758.db2.gz LQIPLQOJUGKZPX-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM COc1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1-c1nn[n-]n1 ZINC000826205762 607595759 /nfs/dbraw/zinc/59/57/59/607595759.db2.gz LQIPLQOJUGKZPX-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM O=C([O-])NC1CCC(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000740559781 603089000 /nfs/dbraw/zinc/08/90/00/603089000.db2.gz KRNWPGNQUGSGJE-NKELODKYSA-N -1 3 385.439 3.674 20 0 GHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000825501713 603552079 /nfs/dbraw/zinc/55/20/79/603552079.db2.gz DSJFVJYHHDMCAA-AWEZNQCLSA-N -1 3 391.431 3.670 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000826250183 607655444 /nfs/dbraw/zinc/65/54/44/607655444.db2.gz OIUZTZDVQXURRV-UHFFFAOYSA-N -1 3 395.316 3.508 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000826250183 607655445 /nfs/dbraw/zinc/65/54/45/607655445.db2.gz OIUZTZDVQXURRV-UHFFFAOYSA-N -1 3 395.316 3.508 20 0 GHADHM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421802 607657789 /nfs/dbraw/zinc/65/77/89/607657789.db2.gz ZVXNPOMTQYVSLV-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421802 607657790 /nfs/dbraw/zinc/65/77/90/607657790.db2.gz ZVXNPOMTQYVSLV-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)cc1F ZINC000824384743 607691525 /nfs/dbraw/zinc/69/15/25/607691525.db2.gz GSUOHVGIZOUTDF-ZDUSSCGKSA-N -1 3 397.429 3.830 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)cc1F ZINC000824384743 607691527 /nfs/dbraw/zinc/69/15/27/607691527.db2.gz GSUOHVGIZOUTDF-ZDUSSCGKSA-N -1 3 397.429 3.830 20 0 GHADHM C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514952 607693046 /nfs/dbraw/zinc/69/30/46/607693046.db2.gz QBZZKQBHJYROGN-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514952 607693047 /nfs/dbraw/zinc/69/30/47/607693047.db2.gz QBZZKQBHJYROGN-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830609149 604525375 /nfs/dbraw/zinc/52/53/75/604525375.db2.gz VWMZIBPCEDQTJQ-FQEVSTJZSA-N -1 3 397.519 3.612 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000826247231 607698619 /nfs/dbraw/zinc/69/86/19/607698619.db2.gz XGZFLTGOQSHEHA-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000826247231 607698621 /nfs/dbraw/zinc/69/86/21/607698621.db2.gz XGZFLTGOQSHEHA-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCCC(F)(F)F ZINC000824207209 607703627 /nfs/dbraw/zinc/70/36/27/607703627.db2.gz RRIWSUHWBIWFRW-AWEZNQCLSA-N -1 3 386.374 3.546 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCCC(F)(F)F ZINC000824207209 607703629 /nfs/dbraw/zinc/70/36/29/607703629.db2.gz RRIWSUHWBIWFRW-AWEZNQCLSA-N -1 3 386.374 3.546 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824769670 607711106 /nfs/dbraw/zinc/71/11/06/607711106.db2.gz ADMFKMLRFWJESZ-ZDUSSCGKSA-N -1 3 378.461 3.660 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824769670 607711108 /nfs/dbraw/zinc/71/11/08/607711108.db2.gz ADMFKMLRFWJESZ-ZDUSSCGKSA-N -1 3 378.461 3.660 20 0 GHADHM Clc1ccc(NCc2ccc(COC3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000826352553 607730802 /nfs/dbraw/zinc/73/08/02/607730802.db2.gz FWBBVIXIDRYWLJ-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1ccc(NCc2ccc(COC3CCOCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000826352553 607730804 /nfs/dbraw/zinc/73/08/04/607730804.db2.gz FWBBVIXIDRYWLJ-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824394883 607733398 /nfs/dbraw/zinc/73/33/98/607733398.db2.gz ZOHXCPFLWCVOLN-TVQRCGJNSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824394883 607733399 /nfs/dbraw/zinc/73/33/99/607733399.db2.gz ZOHXCPFLWCVOLN-TVQRCGJNSA-N -1 3 383.399 3.871 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000833416172 605181106 /nfs/dbraw/zinc/18/11/06/605181106.db2.gz ZUJRJWGXYIBVSE-QGZVFWFLSA-N -1 3 378.831 3.859 20 0 GHADHM CC(C)CN(Cc1nc(C2CCCC2)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261430 607739478 /nfs/dbraw/zinc/73/94/78/607739478.db2.gz KAZHFFVEGSZHQW-UHFFFAOYSA-N -1 3 381.484 3.566 20 0 GHADHM CC(C)CN(Cc1nc(C2CCCC2)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261430 607739479 /nfs/dbraw/zinc/73/94/79/607739479.db2.gz KAZHFFVEGSZHQW-UHFFFAOYSA-N -1 3 381.484 3.566 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457069 607746816 /nfs/dbraw/zinc/74/68/16/607746816.db2.gz KRHFOZXJELRVRM-UHFFFAOYSA-N -1 3 384.321 3.531 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457069 607746817 /nfs/dbraw/zinc/74/68/17/607746817.db2.gz KRHFOZXJELRVRM-UHFFFAOYSA-N -1 3 384.321 3.531 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1-c1nnn[n-]1 ZINC000825539092 607757773 /nfs/dbraw/zinc/75/77/73/607757773.db2.gz MHBICBJGHBVBCQ-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC000825539092 607757774 /nfs/dbraw/zinc/75/77/74/607757774.db2.gz MHBICBJGHBVBCQ-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CC(C)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824229140 607758220 /nfs/dbraw/zinc/75/82/20/607758220.db2.gz OJKWMHFZCZYMNA-CYBMUJFWSA-N -1 3 381.440 3.610 20 0 GHADHM CC(C)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824229140 607758221 /nfs/dbraw/zinc/75/82/21/607758221.db2.gz OJKWMHFZCZYMNA-CYBMUJFWSA-N -1 3 381.440 3.610 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000825532805 607761225 /nfs/dbraw/zinc/76/12/25/607761225.db2.gz WQWHBLXWLJAZDG-HUUCEWRRSA-N -1 3 398.467 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000825532805 607761226 /nfs/dbraw/zinc/76/12/26/607761226.db2.gz WQWHBLXWLJAZDG-HUUCEWRRSA-N -1 3 398.467 3.590 20 0 GHADHM O=C([O-])NC[C@H]1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000834225710 605575501 /nfs/dbraw/zinc/57/55/01/605575501.db2.gz NXSIHXGVCSCJBX-OAHLLOKOSA-N -1 3 387.867 3.682 20 0 GHADHM O=C([O-])N1CCC[C@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000739483255 605631399 /nfs/dbraw/zinc/63/13/99/605631399.db2.gz ALOAAHGRDLUAGC-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826473750 607771794 /nfs/dbraw/zinc/77/17/94/607771794.db2.gz MMMMSSNWFLZMMT-HXUWFJFHSA-N -1 3 375.476 3.884 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826473750 607771795 /nfs/dbraw/zinc/77/17/95/607771795.db2.gz MMMMSSNWFLZMMT-HXUWFJFHSA-N -1 3 375.476 3.884 20 0 GHADHM C[C@H]1CN([C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)c2cccs2)CCO1 ZINC000833625847 605831566 /nfs/dbraw/zinc/83/15/66/605831566.db2.gz NIGOFFLLMPEIER-GUYCJALGSA-N -1 3 394.924 3.651 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822936404 606018908 /nfs/dbraw/zinc/01/89/08/606018908.db2.gz UEVCOTSCEPGDNJ-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822936404 606018910 /nfs/dbraw/zinc/01/89/10/606018910.db2.gz UEVCOTSCEPGDNJ-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM Brc1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000819688152 606041327 /nfs/dbraw/zinc/04/13/27/606041327.db2.gz DTTWGJNYZAHRGK-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000819688152 606041331 /nfs/dbraw/zinc/04/13/31/606041331.db2.gz DTTWGJNYZAHRGK-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM COc1ccc2[nH]cc(CCNc3nc4ccccc4cc3-c3nnn[n-]3)c2c1 ZINC000821850137 606083239 /nfs/dbraw/zinc/08/32/39/606083239.db2.gz XCBRKVQOIFTBIS-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM COc1ccc2[nH]cc(CCNc3nc4ccccc4cc3-c3nn[n-]n3)c2c1 ZINC000821850137 606083245 /nfs/dbraw/zinc/08/32/45/606083245.db2.gz XCBRKVQOIFTBIS-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1sc(NC(=O)CN(C)c2cccc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822557034 606108182 /nfs/dbraw/zinc/10/81/82/606108182.db2.gz FSBBQRUHJRRAQW-UHFFFAOYSA-N -1 3 392.488 3.773 20 0 GHADHM Cc1sc(NC(=O)CN(C)c2cccc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000822557034 606108184 /nfs/dbraw/zinc/10/81/84/606108184.db2.gz FSBBQRUHJRRAQW-UHFFFAOYSA-N -1 3 392.488 3.773 20 0 GHADHM O=C(N[C@@H]1CCCc2[nH]ccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823150872 606119210 /nfs/dbraw/zinc/11/92/10/606119210.db2.gz VAOOWDLYVFNMIP-HXUWFJFHSA-N -1 3 399.458 3.746 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821389885 606122796 /nfs/dbraw/zinc/12/27/96/606122796.db2.gz QWIVSYROUSALOH-SECBINFHSA-N -1 3 378.841 3.689 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821389885 606122797 /nfs/dbraw/zinc/12/27/97/606122797.db2.gz QWIVSYROUSALOH-SECBINFHSA-N -1 3 378.841 3.689 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000820321481 606123025 /nfs/dbraw/zinc/12/30/25/606123025.db2.gz GYYWZGDGCADRCJ-SJORKVTESA-N -1 3 393.491 3.724 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000820321481 606123027 /nfs/dbraw/zinc/12/30/27/606123027.db2.gz GYYWZGDGCADRCJ-SJORKVTESA-N -1 3 393.491 3.724 20 0 GHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820321480 606123325 /nfs/dbraw/zinc/12/33/25/606123325.db2.gz GYYWZGDGCADRCJ-IRXDYDNUSA-N -1 3 393.491 3.724 20 0 GHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820321480 606123326 /nfs/dbraw/zinc/12/33/26/606123326.db2.gz GYYWZGDGCADRCJ-IRXDYDNUSA-N -1 3 393.491 3.724 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1OC(F)F ZINC000820511919 606135322 /nfs/dbraw/zinc/13/53/22/606135322.db2.gz FKBMLCDWXXLTKM-VIFPVBQESA-N -1 3 378.310 3.525 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1OC(F)F ZINC000820511919 606135324 /nfs/dbraw/zinc/13/53/24/606135324.db2.gz FKBMLCDWXXLTKM-VIFPVBQESA-N -1 3 378.310 3.525 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000820508876 606135362 /nfs/dbraw/zinc/13/53/62/606135362.db2.gz ZNMPLCQHCSRATB-SECBINFHSA-N -1 3 378.310 3.525 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000820508876 606135364 /nfs/dbraw/zinc/13/53/64/606135364.db2.gz ZNMPLCQHCSRATB-SECBINFHSA-N -1 3 378.310 3.525 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000823323585 606148549 /nfs/dbraw/zinc/14/85/49/606148549.db2.gz UTUJJUFZENFRRV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000823323585 606148551 /nfs/dbraw/zinc/14/85/51/606148551.db2.gz UTUJJUFZENFRRV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000822505313 606208066 /nfs/dbraw/zinc/20/80/66/606208066.db2.gz IEOWPXARERIDFA-ZDUSSCGKSA-N -1 3 398.430 3.698 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000822505313 606208067 /nfs/dbraw/zinc/20/80/67/606208067.db2.gz IEOWPXARERIDFA-ZDUSSCGKSA-N -1 3 398.430 3.698 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000820563671 606233675 /nfs/dbraw/zinc/23/36/75/606233675.db2.gz STTIAZLOQBRHTL-AWEZNQCLSA-N -1 3 386.459 3.724 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000820563671 606233678 /nfs/dbraw/zinc/23/36/78/606233678.db2.gz STTIAZLOQBRHTL-AWEZNQCLSA-N -1 3 386.459 3.724 20 0 GHADHM CCCC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821000409 606236101 /nfs/dbraw/zinc/23/61/01/606236101.db2.gz DUNLJHYBBJAIAI-UHFFFAOYSA-N -1 3 382.445 3.544 20 0 GHADHM CCCC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821000409 606236103 /nfs/dbraw/zinc/23/61/03/606236103.db2.gz DUNLJHYBBJAIAI-UHFFFAOYSA-N -1 3 382.445 3.544 20 0 GHADHM CC1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000820717955 606244642 /nfs/dbraw/zinc/24/46/42/606244642.db2.gz ZGMSTXUAUCQXFY-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CC1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000820717955 606244643 /nfs/dbraw/zinc/24/46/43/606244643.db2.gz ZGMSTXUAUCQXFY-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974351 606267501 /nfs/dbraw/zinc/26/75/01/606267501.db2.gz IKNUITYUFJIKPK-UHFFFAOYSA-N -1 3 395.369 3.976 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974351 606267503 /nfs/dbraw/zinc/26/75/03/606267503.db2.gz IKNUITYUFJIKPK-UHFFFAOYSA-N -1 3 395.369 3.976 20 0 GHADHM CCSc1ccc([C@H](C)N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821461927 606304783 /nfs/dbraw/zinc/30/47/83/606304783.db2.gz VZGRXFARSAKNEA-UGSOOPFHSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@H](C)N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821461927 606304785 /nfs/dbraw/zinc/30/47/85/606304785.db2.gz VZGRXFARSAKNEA-UGSOOPFHSA-N -1 3 397.504 3.544 20 0 GHADHM C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820461647 606316043 /nfs/dbraw/zinc/31/60/43/606316043.db2.gz OPDWXNUCGZFWRW-GFCCVEGCSA-N -1 3 396.882 3.838 20 0 GHADHM C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820461647 606316045 /nfs/dbraw/zinc/31/60/45/606316045.db2.gz OPDWXNUCGZFWRW-GFCCVEGCSA-N -1 3 396.882 3.838 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000820335331 606323974 /nfs/dbraw/zinc/32/39/74/606323974.db2.gz WEKVRGXZUWGHRA-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000820335331 606323976 /nfs/dbraw/zinc/32/39/76/606323976.db2.gz WEKVRGXZUWGHRA-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM O=C(c1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1)N1CCCCC1 ZINC000823492943 606326277 /nfs/dbraw/zinc/32/62/77/606326277.db2.gz AHZITNWNYKSNLF-UHFFFAOYSA-N -1 3 379.489 3.785 20 0 GHADHM O=C(c1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1)N1CCCCC1 ZINC000823492943 606326278 /nfs/dbraw/zinc/32/62/78/606326278.db2.gz AHZITNWNYKSNLF-UHFFFAOYSA-N -1 3 379.489 3.785 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](CC)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC000821465598 606335727 /nfs/dbraw/zinc/33/57/27/606335727.db2.gz KCTRELVIJYFRJG-ZDUSSCGKSA-N -1 3 389.456 3.734 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](CC)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC000821465598 606335729 /nfs/dbraw/zinc/33/57/29/606335729.db2.gz KCTRELVIJYFRJG-ZDUSSCGKSA-N -1 3 389.456 3.734 20 0 GHADHM C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820520129 606339137 /nfs/dbraw/zinc/33/91/37/606339137.db2.gz ZPQWFYXZTJYBFH-ZDUSSCGKSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820520129 606339139 /nfs/dbraw/zinc/33/91/39/606339139.db2.gz ZPQWFYXZTJYBFH-ZDUSSCGKSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820678663 606344190 /nfs/dbraw/zinc/34/41/90/606344190.db2.gz WXZKEXVMBMQKNZ-UHIISALHSA-N -1 3 392.410 3.653 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820678663 606344192 /nfs/dbraw/zinc/34/41/92/606344192.db2.gz WXZKEXVMBMQKNZ-UHIISALHSA-N -1 3 392.410 3.653 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000822299222 606351520 /nfs/dbraw/zinc/35/15/20/606351520.db2.gz BVPITDBSKRWCMQ-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822299222 606351521 /nfs/dbraw/zinc/35/15/21/606351521.db2.gz BVPITDBSKRWCMQ-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000822214095 606357016 /nfs/dbraw/zinc/35/70/16/606357016.db2.gz PHXAKRGITVAAKG-GFCCVEGCSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000822214095 606357017 /nfs/dbraw/zinc/35/70/17/606357017.db2.gz PHXAKRGITVAAKG-GFCCVEGCSA-N -1 3 395.444 3.739 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820665209 606357140 /nfs/dbraw/zinc/35/71/40/606357140.db2.gz FBLUGKFVDGGTSC-WCQYABFASA-N -1 3 384.390 3.555 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820665209 606357142 /nfs/dbraw/zinc/35/71/42/606357142.db2.gz FBLUGKFVDGGTSC-WCQYABFASA-N -1 3 384.390 3.555 20 0 GHADHM CN(Cc1ccc(Br)c(F)c1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821610007 606373828 /nfs/dbraw/zinc/37/38/28/606373828.db2.gz WDFQDDIQONNXBZ-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569816 606414187 /nfs/dbraw/zinc/41/41/87/606414187.db2.gz WXAMSKZMCMWWHP-VHSXEESVSA-N -1 3 387.793 3.852 20 0 GHADHM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569816 606414188 /nfs/dbraw/zinc/41/41/88/606414188.db2.gz WXAMSKZMCMWWHP-VHSXEESVSA-N -1 3 387.793 3.852 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(Nc3ncccc3-c3nnn[n-]3)ccc21 ZINC000819933415 606431371 /nfs/dbraw/zinc/43/13/71/606431371.db2.gz QUVMFZWZCZMDCQ-UHFFFAOYSA-N -1 3 393.451 3.693 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(Nc3ncccc3-c3nn[n-]n3)ccc21 ZINC000819933415 606431373 /nfs/dbraw/zinc/43/13/73/606431373.db2.gz QUVMFZWZCZMDCQ-UHFFFAOYSA-N -1 3 393.451 3.693 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H]3c3cccnc3)c2c1 ZINC000822582785 606445473 /nfs/dbraw/zinc/44/54/73/606445473.db2.gz WRCISFGJPSYQIH-KRWDZBQOSA-N -1 3 377.839 3.805 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H]3c3cccnc3)c2c1 ZINC000822582785 606445475 /nfs/dbraw/zinc/44/54/75/606445475.db2.gz WRCISFGJPSYQIH-KRWDZBQOSA-N -1 3 377.839 3.805 20 0 GHADHM Cc1cc(C(N)=O)ccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822191971 606446430 /nfs/dbraw/zinc/44/64/30/606446430.db2.gz VXNYHFPDSLKWFR-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1cc(C(N)=O)ccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822191971 606446432 /nfs/dbraw/zinc/44/64/32/606446432.db2.gz VXNYHFPDSLKWFR-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM COc1ccc(C)cc1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000821782889 606446619 /nfs/dbraw/zinc/44/66/19/606446619.db2.gz RDLQQOWREOYYQC-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820716704 606446729 /nfs/dbraw/zinc/44/67/29/606446729.db2.gz KHODMJZIHKXZCK-UONOGXRCSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820716704 606446731 /nfs/dbraw/zinc/44/67/31/606446731.db2.gz KHODMJZIHKXZCK-UONOGXRCSA-N -1 3 379.489 3.888 20 0 GHADHM c1ccc(-c2ccc(CNc3cccc4c3OCCO4)cc2)c(-c2nnn[n-]2)c1 ZINC000823757997 606451136 /nfs/dbraw/zinc/45/11/36/606451136.db2.gz ZMOLUDKPJVVNHN-UHFFFAOYSA-N -1 3 385.427 3.917 20 0 GHADHM c1ccc(-c2ccc(CNc3cccc4c3OCCO4)cc2)c(-c2nn[n-]n2)c1 ZINC000823757997 606451137 /nfs/dbraw/zinc/45/11/37/606451137.db2.gz ZMOLUDKPJVVNHN-UHFFFAOYSA-N -1 3 385.427 3.917 20 0 GHADHM O=C(c1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1)N1CCCCC1 ZINC000823487320 606460274 /nfs/dbraw/zinc/46/02/74/606460274.db2.gz AGEXDMXHQVDQBZ-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1)N1CCCCC1 ZINC000823487320 606460276 /nfs/dbraw/zinc/46/02/76/606460276.db2.gz AGEXDMXHQVDQBZ-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392160 606465489 /nfs/dbraw/zinc/46/54/89/606465489.db2.gz MACTZCIBXOLMPI-MRXNPFEDSA-N -1 3 397.847 3.923 20 0 GHADHM O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392160 606465490 /nfs/dbraw/zinc/46/54/90/606465490.db2.gz MACTZCIBXOLMPI-MRXNPFEDSA-N -1 3 397.847 3.923 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@H]2SCCc3ccccc32)n1 ZINC000822724024 606478090 /nfs/dbraw/zinc/47/80/90/606478090.db2.gz WSNMCJOPNIXXHS-CYBMUJFWSA-N -1 3 392.410 3.723 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@H]2SCCc3ccccc32)n1 ZINC000822724024 606478092 /nfs/dbraw/zinc/47/80/92/606478092.db2.gz WSNMCJOPNIXXHS-CYBMUJFWSA-N -1 3 392.410 3.723 20 0 GHADHM Cc1ccc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000822233328 606492526 /nfs/dbraw/zinc/49/25/26/606492526.db2.gz MRMDTGIIDLMNMW-CQSZACIVSA-N -1 3 375.379 3.707 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820292821 606502249 /nfs/dbraw/zinc/50/22/49/606502249.db2.gz HRQCPUKISHCDSR-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820292821 606502250 /nfs/dbraw/zinc/50/22/50/606502250.db2.gz HRQCPUKISHCDSR-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM O=C(Nc1c(-c2cccs2)nc2ccccn21)c1cc(-c2nnn[n-]2)cs1 ZINC000823290649 606503189 /nfs/dbraw/zinc/50/31/89/606503189.db2.gz ZZTYLVYQMISWEE-UHFFFAOYSA-N -1 3 393.457 3.557 20 0 GHADHM O=C(Nc1c(-c2cccs2)nc2ccccn21)c1cc(-c2nn[n-]n2)cs1 ZINC000823290649 606503190 /nfs/dbraw/zinc/50/31/90/606503190.db2.gz ZZTYLVYQMISWEE-UHFFFAOYSA-N -1 3 393.457 3.557 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(c1ccccc1)c1ccccc1 ZINC000820334776 606504446 /nfs/dbraw/zinc/50/44/46/606504446.db2.gz PXKLSYQEOJXIFW-QGZVFWFLSA-N -1 3 397.482 3.746 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(c1ccccc1)c1ccccc1 ZINC000820334776 606504448 /nfs/dbraw/zinc/50/44/48/606504448.db2.gz PXKLSYQEOJXIFW-QGZVFWFLSA-N -1 3 397.482 3.746 20 0 GHADHM CCC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000820967872 606529217 /nfs/dbraw/zinc/52/92/17/606529217.db2.gz XRSAVHDRBLZQNQ-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CCC1(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000820967872 606529219 /nfs/dbraw/zinc/52/92/19/606529219.db2.gz XRSAVHDRBLZQNQ-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367987 606545648 /nfs/dbraw/zinc/54/56/48/606545648.db2.gz PWTWQTGXEMVQPI-UHFFFAOYSA-N -1 3 396.476 3.699 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367987 606545650 /nfs/dbraw/zinc/54/56/50/606545650.db2.gz PWTWQTGXEMVQPI-UHFFFAOYSA-N -1 3 396.476 3.699 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000823093393 606546485 /nfs/dbraw/zinc/54/64/85/606546485.db2.gz WXKWBPIHVHEPCL-UHFFFAOYSA-N -1 3 381.439 3.619 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000823093393 606546487 /nfs/dbraw/zinc/54/64/87/606546487.db2.gz WXKWBPIHVHEPCL-UHFFFAOYSA-N -1 3 381.439 3.619 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000820526056 606548399 /nfs/dbraw/zinc/54/83/99/606548399.db2.gz IAQZGAQQQAADKG-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821717568 606548954 /nfs/dbraw/zinc/54/89/54/606548954.db2.gz QSNUNPLJABKMEB-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821717568 606548956 /nfs/dbraw/zinc/54/89/56/606548956.db2.gz QSNUNPLJABKMEB-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000821995001 606570517 /nfs/dbraw/zinc/57/05/17/606570517.db2.gz TULVUJFTMHMRJL-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000821995001 606570519 /nfs/dbraw/zinc/57/05/19/606570519.db2.gz TULVUJFTMHMRJL-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1CCC[C@H]1C ZINC000822211789 606574902 /nfs/dbraw/zinc/57/49/02/606574902.db2.gz OOXDVSOXTKTAGC-CQSZACIVSA-N -1 3 378.436 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1CCC[C@H]1C ZINC000822211789 606574904 /nfs/dbraw/zinc/57/49/04/606574904.db2.gz OOXDVSOXTKTAGC-CQSZACIVSA-N -1 3 378.436 3.984 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC000820744589 606577811 /nfs/dbraw/zinc/57/78/11/606577811.db2.gz YYQLPOFFVLYHRN-CHWSQXEVSA-N -1 3 396.426 3.918 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC000820744589 606577813 /nfs/dbraw/zinc/57/78/13/606577813.db2.gz YYQLPOFFVLYHRN-CHWSQXEVSA-N -1 3 396.426 3.918 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822028856 606582431 /nfs/dbraw/zinc/58/24/31/606582431.db2.gz STRDILOOVGDPSZ-UHFFFAOYSA-N -1 3 379.464 3.671 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822028856 606582432 /nfs/dbraw/zinc/58/24/32/606582432.db2.gz STRDILOOVGDPSZ-UHFFFAOYSA-N -1 3 379.464 3.671 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823078449 606587192 /nfs/dbraw/zinc/58/71/92/606587192.db2.gz NIWBEMBKBRAFGE-JOCHJYFZSA-N -1 3 397.482 3.552 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823078449 606587193 /nfs/dbraw/zinc/58/71/93/606587193.db2.gz NIWBEMBKBRAFGE-JOCHJYFZSA-N -1 3 397.482 3.552 20 0 GHADHM CCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C)c1 ZINC000821421883 606596698 /nfs/dbraw/zinc/59/66/98/606596698.db2.gz HLIWFYQONSWQFW-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(C)c1 ZINC000821421883 606596700 /nfs/dbraw/zinc/59/67/00/606596700.db2.gz HLIWFYQONSWQFW-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1cccc(Cl)n1 ZINC000822731421 606598727 /nfs/dbraw/zinc/59/87/27/606598727.db2.gz CZVYHTJQTUQECQ-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1cccc(Cl)n1 ZINC000822731421 606598729 /nfs/dbraw/zinc/59/87/29/606598729.db2.gz CZVYHTJQTUQECQ-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM CC(C)N(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000820112020 606601540 /nfs/dbraw/zinc/60/15/40/606601540.db2.gz HPCNXNPWZDUQFY-UHFFFAOYSA-N -1 3 382.493 3.678 20 0 GHADHM CCCCCC(C)(C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821043356 606603977 /nfs/dbraw/zinc/60/39/77/606603977.db2.gz NZYKROIPEBJZAS-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCCC(C)(C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821043356 606603978 /nfs/dbraw/zinc/60/39/78/606603978.db2.gz NZYKROIPEBJZAS-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM O=C(OCc1csc(CCc2ccccc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440287 606616802 /nfs/dbraw/zinc/61/68/02/606616802.db2.gz LJXXIGWAHQZZFZ-UHFFFAOYSA-N -1 3 397.485 3.527 20 0 GHADHM O=C(OCc1csc(CCc2ccccc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440287 606616803 /nfs/dbraw/zinc/61/68/03/606616803.db2.gz LJXXIGWAHQZZFZ-UHFFFAOYSA-N -1 3 397.485 3.527 20 0 GHADHM CC(C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)=C1CCCC1 ZINC000819876943 606618343 /nfs/dbraw/zinc/61/83/43/606618343.db2.gz KSQZXDCTAFJZGR-UHFFFAOYSA-N -1 3 380.477 3.743 20 0 GHADHM CC(C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)=C1CCCC1 ZINC000819876943 606618344 /nfs/dbraw/zinc/61/83/44/606618344.db2.gz KSQZXDCTAFJZGR-UHFFFAOYSA-N -1 3 380.477 3.743 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148231 606627876 /nfs/dbraw/zinc/62/78/76/606627876.db2.gz MUDHOJNMOIREBP-HZPDHXFCSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148231 606627877 /nfs/dbraw/zinc/62/78/77/606627877.db2.gz MUDHOJNMOIREBP-HZPDHXFCSA-N -1 3 393.491 3.979 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820549508 606628231 /nfs/dbraw/zinc/62/82/31/606628231.db2.gz OBYDITKALJSOMS-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820549508 606628233 /nfs/dbraw/zinc/62/82/33/606628233.db2.gz OBYDITKALJSOMS-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820373516 606630253 /nfs/dbraw/zinc/63/02/53/606630253.db2.gz JBGVOIRWVMNUJX-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820373516 606630255 /nfs/dbraw/zinc/63/02/55/606630255.db2.gz JBGVOIRWVMNUJX-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823066004 606630664 /nfs/dbraw/zinc/63/06/64/606630664.db2.gz IEQQSXWYTFAVCK-SWLSCSKDSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823066004 606630665 /nfs/dbraw/zinc/63/06/65/606630665.db2.gz IEQQSXWYTFAVCK-SWLSCSKDSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CC1CCCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822941129 606632368 /nfs/dbraw/zinc/63/23/68/606632368.db2.gz QTUOWBXMMURAIM-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(CC1CCCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822941129 606632370 /nfs/dbraw/zinc/63/23/70/606632370.db2.gz QTUOWBXMMURAIM-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(-c3ccsc3)n2)ccc1-c1nnn[n-]1 ZINC000822724011 606656921 /nfs/dbraw/zinc/65/69/21/606656921.db2.gz WJWFJEHDXZJJIN-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(-c3ccsc3)n2)ccc1-c1nn[n-]n1 ZINC000822724011 606656922 /nfs/dbraw/zinc/65/69/22/606656922.db2.gz WJWFJEHDXZJJIN-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000822213918 606664400 /nfs/dbraw/zinc/66/44/00/606664400.db2.gz HAGYXMVJEYPYRV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000822213918 606664401 /nfs/dbraw/zinc/66/44/01/606664401.db2.gz HAGYXMVJEYPYRV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(NC1CCC(c2ccccc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823145255 606668950 /nfs/dbraw/zinc/66/89/50/606668950.db2.gz PHIXQUGRWYFKCU-UHFFFAOYSA-N -1 3 383.402 3.601 20 0 GHADHM O=C(NC1CCC(c2ccccc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823145255 606668951 /nfs/dbraw/zinc/66/89/51/606668951.db2.gz PHIXQUGRWYFKCU-UHFFFAOYSA-N -1 3 383.402 3.601 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820220352 606669114 /nfs/dbraw/zinc/66/91/14/606669114.db2.gz RRUOLIUUKOFNGX-GFCCVEGCSA-N -1 3 383.402 3.586 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820220352 606669115 /nfs/dbraw/zinc/66/91/15/606669115.db2.gz RRUOLIUUKOFNGX-GFCCVEGCSA-N -1 3 383.402 3.586 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820563042 606669159 /nfs/dbraw/zinc/66/91/59/606669159.db2.gz MBWKHUABRXDARH-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820563042 606669160 /nfs/dbraw/zinc/66/91/60/606669160.db2.gz MBWKHUABRXDARH-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139262 606673258 /nfs/dbraw/zinc/67/32/58/606673258.db2.gz AUBWPZOTDRHGDI-GOSISDBHSA-N -1 3 383.402 3.806 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139262 606673259 /nfs/dbraw/zinc/67/32/59/606673259.db2.gz AUBWPZOTDRHGDI-GOSISDBHSA-N -1 3 383.402 3.806 20 0 GHADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2cccc(Cl)c21 ZINC000820601924 606675286 /nfs/dbraw/zinc/67/52/86/606675286.db2.gz UYGYHICIPAQJEJ-UHFFFAOYSA-N -1 3 389.793 3.736 20 0 GHADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2cccc(Cl)c21 ZINC000820601924 606675287 /nfs/dbraw/zinc/67/52/87/606675287.db2.gz UYGYHICIPAQJEJ-UHFFFAOYSA-N -1 3 389.793 3.736 20 0 GHADHM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140182 606675370 /nfs/dbraw/zinc/67/53/70/606675370.db2.gz QTRLDRBZKFYGDC-UHFFFAOYSA-N -1 3 389.793 3.608 20 0 GHADHM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140182 606675371 /nfs/dbraw/zinc/67/53/71/606675371.db2.gz QTRLDRBZKFYGDC-UHFFFAOYSA-N -1 3 389.793 3.608 20 0 GHADHM Cc1sc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1-c1ccc(F)cc1 ZINC000822552976 606677614 /nfs/dbraw/zinc/67/76/14/606677614.db2.gz GVTOCHWPTUNTPM-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1sc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1-c1ccc(F)cc1 ZINC000822552976 606677615 /nfs/dbraw/zinc/67/76/15/606677615.db2.gz GVTOCHWPTUNTPM-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccccc1-c1nc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)no1 ZINC000822345601 606702102 /nfs/dbraw/zinc/70/21/02/606702102.db2.gz LUIPSLVQIMGHAG-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccccc1-c1nc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)no1 ZINC000822345601 606702103 /nfs/dbraw/zinc/70/21/03/606702103.db2.gz LUIPSLVQIMGHAG-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM CCCCC[C@H](C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000821043153 606760093 /nfs/dbraw/zinc/76/00/93/606760093.db2.gz MGQVYDXXGHGTTF-INIZCTEOSA-N -1 3 398.467 3.812 20 0 GHADHM CCCCC[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000821043153 606760095 /nfs/dbraw/zinc/76/00/95/606760095.db2.gz MGQVYDXXGHGTTF-INIZCTEOSA-N -1 3 398.467 3.812 20 0 GHADHM CC(C)C[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000820062216 606763981 /nfs/dbraw/zinc/76/39/81/606763981.db2.gz KGAVVLLQLJCSCJ-GOSISDBHSA-N -1 3 397.504 3.826 20 0 GHADHM CC(C)C[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820062216 606763983 /nfs/dbraw/zinc/76/39/83/606763983.db2.gz KGAVVLLQLJCSCJ-GOSISDBHSA-N -1 3 397.504 3.826 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CCCSC2)cc1 ZINC000822143315 606797998 /nfs/dbraw/zinc/79/79/98/606797998.db2.gz BEXLDIXIKKHLKG-MRXNPFEDSA-N -1 3 395.488 3.593 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CCCSC2)cc1 ZINC000822143315 606798000 /nfs/dbraw/zinc/79/80/00/606798000.db2.gz BEXLDIXIKKHLKG-MRXNPFEDSA-N -1 3 395.488 3.593 20 0 GHADHM CN(c1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000821619176 606806926 /nfs/dbraw/zinc/80/69/26/606806926.db2.gz LXHAFRGPOQMUPQ-UHFFFAOYSA-N -1 3 391.479 3.567 20 0 GHADHM CN(c1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821619176 606806928 /nfs/dbraw/zinc/80/69/28/606806928.db2.gz LXHAFRGPOQMUPQ-UHFFFAOYSA-N -1 3 391.479 3.567 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)n1 ZINC000820733067 606809148 /nfs/dbraw/zinc/80/91/48/606809148.db2.gz COJGGVJHZSVVSG-LLVKDONJSA-N -1 3 382.493 3.824 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)n1 ZINC000820733067 606809149 /nfs/dbraw/zinc/80/91/49/606809149.db2.gz COJGGVJHZSVVSG-LLVKDONJSA-N -1 3 382.493 3.824 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823175504 606835241 /nfs/dbraw/zinc/83/52/41/606835241.db2.gz KDXJPPZPYZYIOZ-KRWDZBQOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823175504 606835243 /nfs/dbraw/zinc/83/52/43/606835243.db2.gz KDXJPPZPYZYIOZ-KRWDZBQOSA-N -1 3 396.476 3.676 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)O1 ZINC000820972050 606847909 /nfs/dbraw/zinc/84/79/09/606847909.db2.gz JXAXCZOVSJUBKB-TZMCWYRMSA-N -1 3 395.488 3.590 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)O1 ZINC000820972050 606847910 /nfs/dbraw/zinc/84/79/10/606847910.db2.gz JXAXCZOVSJUBKB-TZMCWYRMSA-N -1 3 395.488 3.590 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820648489 606849041 /nfs/dbraw/zinc/84/90/41/606849041.db2.gz ALRYPQHUWCYWSQ-GRYCIOLGSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820648489 606849042 /nfs/dbraw/zinc/84/90/42/606849042.db2.gz ALRYPQHUWCYWSQ-GRYCIOLGSA-N -1 3 379.917 3.505 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000822146196 606849271 /nfs/dbraw/zinc/84/92/71/606849271.db2.gz VYNTXNDEHPRBTQ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820937702 606851714 /nfs/dbraw/zinc/85/17/14/606851714.db2.gz CCTSSDWWFVGYSY-OAHLLOKOSA-N -1 3 387.896 3.707 20 0 GHADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820937702 606851715 /nfs/dbraw/zinc/85/17/15/606851715.db2.gz CCTSSDWWFVGYSY-OAHLLOKOSA-N -1 3 387.896 3.707 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NCc1cccc(Cl)c1 ZINC000823066180 606851978 /nfs/dbraw/zinc/85/19/78/606851978.db2.gz OIHJMENXOLOYFT-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NCc1cccc(Cl)c1 ZINC000823066180 606851979 /nfs/dbraw/zinc/85/19/79/606851979.db2.gz OIHJMENXOLOYFT-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM CC[C@H](S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1 ZINC000820937696 606873809 /nfs/dbraw/zinc/87/38/09/606873809.db2.gz CAJDFXZKAXQBQA-LSDHHAIUSA-N -1 3 385.518 3.918 20 0 GHADHM CC[C@H](S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1 ZINC000820937696 606873811 /nfs/dbraw/zinc/87/38/11/606873811.db2.gz CAJDFXZKAXQBQA-LSDHHAIUSA-N -1 3 385.518 3.918 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822941511 606930204 /nfs/dbraw/zinc/93/02/04/606930204.db2.gz YCVQMFLXJNOJEO-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822941511 606930206 /nfs/dbraw/zinc/93/02/06/606930206.db2.gz YCVQMFLXJNOJEO-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823396257 606947177 /nfs/dbraw/zinc/94/71/77/606947177.db2.gz GYIGMFUTLVCGHC-YFHOEESVSA-N -1 3 395.202 3.515 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823396257 606947178 /nfs/dbraw/zinc/94/71/78/606947178.db2.gz GYIGMFUTLVCGHC-YFHOEESVSA-N -1 3 395.202 3.515 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccn(C4CCCC4)n3)c2-c2nnn[n-]2)C1 ZINC000820733501 606955670 /nfs/dbraw/zinc/95/56/70/606955670.db2.gz GQNXYKMSNHLAJZ-NSHDSACASA-N -1 3 397.508 3.617 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccn(C4CCCC4)n3)c2-c2nn[n-]n2)C1 ZINC000820733501 606955672 /nfs/dbraw/zinc/95/56/72/606955672.db2.gz GQNXYKMSNHLAJZ-NSHDSACASA-N -1 3 397.508 3.617 20 0 GHADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820678884 606958210 /nfs/dbraw/zinc/95/82/10/606958210.db2.gz ZWNALGOCPUZRBX-SCLBCKFNSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820678884 606958212 /nfs/dbraw/zinc/95/82/12/606958212.db2.gz ZWNALGOCPUZRBX-SCLBCKFNSA-N -1 3 397.866 3.621 20 0 GHADHM Cc1ccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000822275339 606961752 /nfs/dbraw/zinc/96/17/52/606961752.db2.gz QXOLOBZJUCRDEN-UHFFFAOYSA-N -1 3 380.839 3.515 20 0 GHADHM Cc1ccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000822275339 606961753 /nfs/dbraw/zinc/96/17/53/606961753.db2.gz QXOLOBZJUCRDEN-UHFFFAOYSA-N -1 3 380.839 3.515 20 0 GHADHM CN(C(=O)Cc1ccc(-n2cccc2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570559 606964719 /nfs/dbraw/zinc/96/47/19/606964719.db2.gz AIYBCXQKFPEMSQ-UHFFFAOYSA-N -1 3 392.850 3.516 20 0 GHADHM CN(C(=O)Cc1ccc(-n2cccc2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570559 606964721 /nfs/dbraw/zinc/96/47/21/606964721.db2.gz AIYBCXQKFPEMSQ-UHFFFAOYSA-N -1 3 392.850 3.516 20 0 GHADHM CCC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000820842826 606982437 /nfs/dbraw/zinc/98/24/37/606982437.db2.gz QFICARSSSNQNIA-UHFFFAOYSA-N -1 3 392.337 3.779 20 0 GHADHM CCC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000820842826 606982439 /nfs/dbraw/zinc/98/24/39/606982439.db2.gz QFICARSSSNQNIA-UHFFFAOYSA-N -1 3 392.337 3.779 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820215196 607009214 /nfs/dbraw/zinc/00/92/14/607009214.db2.gz ULLCKXQPSSCEAL-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820555307 607009539 /nfs/dbraw/zinc/00/95/39/607009539.db2.gz IRYKKVDNJDFKLN-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820555307 607009541 /nfs/dbraw/zinc/00/95/41/607009541.db2.gz IRYKKVDNJDFKLN-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821431428 607015213 /nfs/dbraw/zinc/01/52/13/607015213.db2.gz UOPSUZQDWSBXKG-KRWDZBQOSA-N -1 3 397.504 3.625 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821431428 607015215 /nfs/dbraw/zinc/01/52/15/607015215.db2.gz UOPSUZQDWSBXKG-KRWDZBQOSA-N -1 3 397.504 3.625 20 0 GHADHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821574831 607020765 /nfs/dbraw/zinc/02/07/65/607020765.db2.gz ZOVMWWDDMUNTDP-AWEZNQCLSA-N -1 3 395.772 3.896 20 0 GHADHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821574831 607020766 /nfs/dbraw/zinc/02/07/66/607020766.db2.gz ZOVMWWDDMUNTDP-AWEZNQCLSA-N -1 3 395.772 3.896 20 0 GHADHM CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000821565049 607036575 /nfs/dbraw/zinc/03/65/75/607036575.db2.gz BFTHATUTAJPTQI-UHFFFAOYSA-N -1 3 398.883 3.653 20 0 GHADHM CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000821565049 607036576 /nfs/dbraw/zinc/03/65/76/607036576.db2.gz BFTHATUTAJPTQI-UHFFFAOYSA-N -1 3 398.883 3.653 20 0 GHADHM Cc1nnc([C@@H](C)Sc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)o1 ZINC000822510446 607038208 /nfs/dbraw/zinc/03/82/08/607038208.db2.gz NGLDKWDUHOZPER-SECBINFHSA-N -1 3 395.448 3.555 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ncnc3sc4c(c32)CCC4)c1 ZINC000822757841 607038579 /nfs/dbraw/zinc/03/85/79/607038579.db2.gz GFIJLLRCGUZXHG-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ncnc3sc4c(c32)CCC4)c1 ZINC000822757841 607038581 /nfs/dbraw/zinc/03/85/81/607038581.db2.gz GFIJLLRCGUZXHG-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(-c3cccs3)n2C2CC2)c1 ZINC000822758175 607038949 /nfs/dbraw/zinc/03/89/49/607038949.db2.gz KYZORSMXGPYREY-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(-c3cccs3)n2C2CC2)c1 ZINC000822758175 607038951 /nfs/dbraw/zinc/03/89/51/607038951.db2.gz KYZORSMXGPYREY-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC(C(F)F)CC1 ZINC000822775306 607040974 /nfs/dbraw/zinc/04/09/74/607040974.db2.gz VCCAMAUZZFMOCO-UHFFFAOYSA-N -1 3 382.777 3.689 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC(C(F)F)CC1 ZINC000822775306 607040975 /nfs/dbraw/zinc/04/09/75/607040975.db2.gz VCCAMAUZZFMOCO-UHFFFAOYSA-N -1 3 382.777 3.689 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc2ccccc2o1 ZINC000821123390 607041087 /nfs/dbraw/zinc/04/10/87/607041087.db2.gz QBDFBWGFOMKHPM-UHFFFAOYSA-N -1 3 376.420 3.616 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000821294509 607100526 /nfs/dbraw/zinc/10/05/26/607100526.db2.gz ULFCNAUVFZRJLS-NEPJUHHUSA-N -1 3 382.390 3.606 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000821304628 607102019 /nfs/dbraw/zinc/10/20/19/607102019.db2.gz OJDXNDUMQFCQES-UHFFFAOYSA-N -1 3 381.827 3.686 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc(-c2cccs2)oc1C ZINC000821309647 607102264 /nfs/dbraw/zinc/10/22/64/607102264.db2.gz QIQXPIUYBUVGAF-UHFFFAOYSA-N -1 3 395.448 3.576 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000823014865 607126701 /nfs/dbraw/zinc/12/67/01/607126701.db2.gz WWRVLTBROYKOCX-UHFFFAOYSA-N -1 3 397.653 3.878 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(Oc4ccc(-c5nnn[n-]5)cc4F)c23)C1 ZINC000820734759 607128209 /nfs/dbraw/zinc/12/82/09/607128209.db2.gz OKKWWALBFQFKDL-VIFPVBQESA-N -1 3 382.424 3.928 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(Oc4ccc(-c5nn[n-]n5)cc4F)c23)C1 ZINC000820734759 607128210 /nfs/dbraw/zinc/12/82/10/607128210.db2.gz OKKWWALBFQFKDL-VIFPVBQESA-N -1 3 382.424 3.928 20 0 GHADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nnc(-c2cccc(Cl)c2)o1 ZINC000820533531 607133994 /nfs/dbraw/zinc/13/39/94/607133994.db2.gz FHRZIBYQXSFMAV-VIFPVBQESA-N -1 3 386.774 3.849 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nnc(-c2cccc(Cl)c2)o1 ZINC000820533531 607133995 /nfs/dbraw/zinc/13/39/95/607133995.db2.gz FHRZIBYQXSFMAV-VIFPVBQESA-N -1 3 386.774 3.849 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc(-c3ccc(F)c(C)c3)no2)n1 ZINC000822193324 607149425 /nfs/dbraw/zinc/14/94/25/607149425.db2.gz SNCPVHHTKWORGA-UHFFFAOYSA-N -1 3 397.439 3.668 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nc(-c3ccc(F)c(C)c3)no2)n1 ZINC000822193324 607149426 /nfs/dbraw/zinc/14/94/26/607149426.db2.gz SNCPVHHTKWORGA-UHFFFAOYSA-N -1 3 397.439 3.668 20 0 GHADHM CSc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1Cl ZINC000156678950 607151535 /nfs/dbraw/zinc/15/15/35/607151535.db2.gz GLOZDMIHBUEJRQ-UHFFFAOYSA-N -1 3 394.287 3.825 20 0 GHADHM CSc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1Cl ZINC000156678950 607151537 /nfs/dbraw/zinc/15/15/37/607151537.db2.gz GLOZDMIHBUEJRQ-UHFFFAOYSA-N -1 3 394.287 3.825 20 0 GHADHM C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820391783 607151916 /nfs/dbraw/zinc/15/19/16/607151916.db2.gz QXQDEQAXSSQBEP-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820391783 607151918 /nfs/dbraw/zinc/15/19/18/607151918.db2.gz QXQDEQAXSSQBEP-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM CCc1oc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)cc1C ZINC000821559143 607152477 /nfs/dbraw/zinc/15/24/77/607152477.db2.gz VNWXYBSZHSCJCR-UHFFFAOYSA-N -1 3 394.460 3.630 20 0 GHADHM CCc1oc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)cc1C ZINC000821559143 607152478 /nfs/dbraw/zinc/15/24/78/607152478.db2.gz VNWXYBSZHSCJCR-UHFFFAOYSA-N -1 3 394.460 3.630 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)COc1ccccc1 ZINC000820086648 607153024 /nfs/dbraw/zinc/15/30/24/607153024.db2.gz DASCXZHXCFWWLK-KRWDZBQOSA-N -1 3 393.491 3.566 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)COc1ccccc1 ZINC000820086648 607153025 /nfs/dbraw/zinc/15/30/25/607153025.db2.gz DASCXZHXCFWWLK-KRWDZBQOSA-N -1 3 393.491 3.566 20 0 GHADHM COc1ccccc1-c1nc(COc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000821877104 607170785 /nfs/dbraw/zinc/17/07/85/607170785.db2.gz BDJWXXGPGMNMCH-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1ccccc1-c1nc(COc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000821877104 607170786 /nfs/dbraw/zinc/17/07/86/607170786.db2.gz BDJWXXGPGMNMCH-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cs2)o1 ZINC000822213988 607189108 /nfs/dbraw/zinc/18/91/08/607189108.db2.gz KJFADJWZFALCKB-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cs2)o1 ZINC000822213988 607189109 /nfs/dbraw/zinc/18/91/09/607189109.db2.gz KJFADJWZFALCKB-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040616 607190467 /nfs/dbraw/zinc/19/04/67/607190467.db2.gz PCOCGGVSERZWCH-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040616 607190468 /nfs/dbraw/zinc/19/04/68/607190468.db2.gz PCOCGGVSERZWCH-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823066025 607191393 /nfs/dbraw/zinc/19/13/93/607191393.db2.gz JBLYUWMIGNQWQW-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823066025 607191394 /nfs/dbraw/zinc/19/13/94/607191394.db2.gz JBLYUWMIGNQWQW-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821777970 607195756 /nfs/dbraw/zinc/19/57/56/607195756.db2.gz QNICVAOSYPTIRP-LLVKDONJSA-N -1 3 386.843 3.754 20 0 GHADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821777970 607195757 /nfs/dbraw/zinc/19/57/57/607195757.db2.gz QNICVAOSYPTIRP-LLVKDONJSA-N -1 3 386.843 3.754 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000823318294 607197141 /nfs/dbraw/zinc/19/71/41/607197141.db2.gz BNNVJRXEFBKBNH-DLBZAZTESA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000823318294 607197142 /nfs/dbraw/zinc/19/71/42/607197142.db2.gz BNNVJRXEFBKBNH-DLBZAZTESA-N -1 3 398.854 3.562 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000820373830 607198640 /nfs/dbraw/zinc/19/86/40/607198640.db2.gz JLBFOFGRGKPEAW-RLFDGXBXSA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000820373830 607198641 /nfs/dbraw/zinc/19/86/41/607198641.db2.gz JLBFOFGRGKPEAW-RLFDGXBXSA-N -1 3 398.854 3.595 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821449430 607202519 /nfs/dbraw/zinc/20/25/19/607202519.db2.gz TZISHSHBRMKALC-NEPJUHHUSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821449430 607202520 /nfs/dbraw/zinc/20/25/20/607202520.db2.gz TZISHSHBRMKALC-NEPJUHHUSA-N -1 3 380.905 3.658 20 0 GHADHM O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823118684 607241050 /nfs/dbraw/zinc/24/10/50/607241050.db2.gz LZRXQGGIDBAUAO-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823118684 607241051 /nfs/dbraw/zinc/24/10/51/607241051.db2.gz LZRXQGGIDBAUAO-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820939719 607241281 /nfs/dbraw/zinc/24/12/81/607241281.db2.gz XKJHRYDYIQZWPX-AWEZNQCLSA-N -1 3 392.246 3.970 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820939719 607241282 /nfs/dbraw/zinc/24/12/82/607241282.db2.gz XKJHRYDYIQZWPX-AWEZNQCLSA-N -1 3 392.246 3.970 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821889969 607243608 /nfs/dbraw/zinc/24/36/08/607243608.db2.gz ILILJFSDJACYHJ-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821889969 607243609 /nfs/dbraw/zinc/24/36/09/607243609.db2.gz ILILJFSDJACYHJ-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000824385405 607785083 /nfs/dbraw/zinc/78/50/83/607785083.db2.gz SECFINPITFRFHP-NSHDSACASA-N -1 3 388.422 3.834 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000824385405 607785084 /nfs/dbraw/zinc/78/50/84/607785084.db2.gz SECFINPITFRFHP-NSHDSACASA-N -1 3 388.422 3.834 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(CCC(F)(F)F)cc1 ZINC000826453832 607786815 /nfs/dbraw/zinc/78/68/15/607786815.db2.gz BAUOFKJGEMLQHZ-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(CCC(F)(F)F)cc1 ZINC000826453832 607786816 /nfs/dbraw/zinc/78/68/16/607786816.db2.gz BAUOFKJGEMLQHZ-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM CC1(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCCC1 ZINC000824817320 607793897 /nfs/dbraw/zinc/79/38/97/607793897.db2.gz NSVVUOZZFNQWFQ-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CC1(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCCC1 ZINC000824817320 607793898 /nfs/dbraw/zinc/79/38/98/607793898.db2.gz NSVVUOZZFNQWFQ-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CCN(C(=O)CCOc1ccccc1C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371003 607799048 /nfs/dbraw/zinc/79/90/48/607799048.db2.gz AJDKOUSGGSEBCL-UHFFFAOYSA-N -1 3 379.464 3.812 20 0 GHADHM CCN(C(=O)CCOc1ccccc1C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371003 607799049 /nfs/dbraw/zinc/79/90/49/607799049.db2.gz AJDKOUSGGSEBCL-UHFFFAOYSA-N -1 3 379.464 3.812 20 0 GHADHM CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367446 607799947 /nfs/dbraw/zinc/79/99/47/607799947.db2.gz QFEGOSRYBBMOAC-INIZCTEOSA-N -1 3 389.381 3.956 20 0 GHADHM CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367446 607799948 /nfs/dbraw/zinc/79/99/48/607799948.db2.gz QFEGOSRYBBMOAC-INIZCTEOSA-N -1 3 389.381 3.956 20 0 GHADHM COc1cc(Cl)c(CNCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000826179961 607819465 /nfs/dbraw/zinc/81/94/65/607819465.db2.gz MVKMFCTYLZPTPF-UHFFFAOYSA-N -1 3 382.226 3.611 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000824119256 607826695 /nfs/dbraw/zinc/82/66/95/607826695.db2.gz DXZWMXFBPBYRAZ-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000824119256 607826696 /nfs/dbraw/zinc/82/66/96/607826696.db2.gz DXZWMXFBPBYRAZ-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CN(Cc1ccc(F)cc1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825966258 607833477 /nfs/dbraw/zinc/83/34/77/607833477.db2.gz VLAODBROODMDGT-UHFFFAOYSA-N -1 3 380.210 3.585 20 0 GHADHM CN(Cc1ccc(F)cc1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825966258 607833478 /nfs/dbraw/zinc/83/34/78/607833478.db2.gz VLAODBROODMDGT-UHFFFAOYSA-N -1 3 380.210 3.585 20 0 GHADHM O=C(Nc1cnc2ccccc2c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826459429 607833772 /nfs/dbraw/zinc/83/37/72/607833772.db2.gz JHVZEGPGTPVFDA-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1cnc2ccccc2c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826459429 607833773 /nfs/dbraw/zinc/83/37/73/607833773.db2.gz JHVZEGPGTPVFDA-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)[C@@H]1COc2ccccc21 ZINC000824650598 607850032 /nfs/dbraw/zinc/85/00/32/607850032.db2.gz SLEZSIZKZQLYHG-BONVTDFDSA-N -1 3 394.385 3.670 20 0 GHADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[C@@H]1COc2ccccc21 ZINC000824650598 607850033 /nfs/dbraw/zinc/85/00/33/607850033.db2.gz SLEZSIZKZQLYHG-BONVTDFDSA-N -1 3 394.385 3.670 20 0 GHADHM O[C@@H](COc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504730 607876037 /nfs/dbraw/zinc/87/60/37/607876037.db2.gz CDDKZWZGDFLXKJ-FQEVSTJZSA-N -1 3 380.448 3.691 20 0 GHADHM O[C@@H](COc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504730 607876038 /nfs/dbraw/zinc/87/60/38/607876038.db2.gz CDDKZWZGDFLXKJ-FQEVSTJZSA-N -1 3 380.448 3.691 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379680 607878003 /nfs/dbraw/zinc/87/80/03/607878003.db2.gz JYGDKDRSTLXJAQ-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379680 607878004 /nfs/dbraw/zinc/87/80/04/607878004.db2.gz JYGDKDRSTLXJAQ-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCOCC1 ZINC000824047090 607894603 /nfs/dbraw/zinc/89/46/03/607894603.db2.gz XDXHDEBYAHTQGF-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC=C(C(F)(F)F)CC1 ZINC000826267954 607935849 /nfs/dbraw/zinc/93/58/49/607935849.db2.gz DLAGOHGFMOSMPK-UHFFFAOYSA-N -1 3 378.333 3.561 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC=C(C(F)(F)F)CC1 ZINC000826267954 607935850 /nfs/dbraw/zinc/93/58/50/607935850.db2.gz DLAGOHGFMOSMPK-UHFFFAOYSA-N -1 3 378.333 3.561 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826233653 607948700 /nfs/dbraw/zinc/94/87/00/607948700.db2.gz QFPRVRGMQQYSJI-UHFFFAOYSA-N -1 3 378.823 3.513 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826233653 607948701 /nfs/dbraw/zinc/94/87/01/607948701.db2.gz QFPRVRGMQQYSJI-UHFFFAOYSA-N -1 3 378.823 3.513 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccncc1 ZINC000824723561 607959177 /nfs/dbraw/zinc/95/91/77/607959177.db2.gz SAQDWNYVAPFEIP-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000824723561 607959178 /nfs/dbraw/zinc/95/91/78/607959178.db2.gz SAQDWNYVAPFEIP-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1c(C)noc1C ZINC000825133162 607960023 /nfs/dbraw/zinc/96/00/23/607960023.db2.gz KIRAENXQJUNHNL-CQSZACIVSA-N -1 3 399.455 3.532 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1c(C)noc1C ZINC000825133162 607960024 /nfs/dbraw/zinc/96/00/24/607960024.db2.gz KIRAENXQJUNHNL-CQSZACIVSA-N -1 3 399.455 3.532 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)n1[C@H]1CCC[C@H](C)C1 ZINC000826337084 607965844 /nfs/dbraw/zinc/96/58/44/607965844.db2.gz BCTVXRKHRXZIFB-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)n1[C@H]1CCC[C@H](C)C1 ZINC000826337084 607965845 /nfs/dbraw/zinc/96/58/45/607965845.db2.gz BCTVXRKHRXZIFB-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCc2ccncc2)cc1 ZINC000825782728 607975407 /nfs/dbraw/zinc/97/54/07/607975407.db2.gz NEYOHLFRETWCCB-UHFFFAOYSA-N -1 3 397.442 3.877 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCc2ccncc2)cc1 ZINC000825782728 607975408 /nfs/dbraw/zinc/97/54/08/607975408.db2.gz NEYOHLFRETWCCB-UHFFFAOYSA-N -1 3 397.442 3.877 20 0 GHADHM Cc1cc([C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262018 607996277 /nfs/dbraw/zinc/99/62/77/607996277.db2.gz BRMHWCAFFHCZBS-IBGZPJMESA-N -1 3 394.454 3.607 20 0 GHADHM Cc1cc([C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262018 607996278 /nfs/dbraw/zinc/99/62/78/607996278.db2.gz BRMHWCAFFHCZBS-IBGZPJMESA-N -1 3 394.454 3.607 20 0 GHADHM Cc1sc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(-c2nnn[n-]2)c1C ZINC000826350228 608000423 /nfs/dbraw/zinc/00/04/23/608000423.db2.gz MXVNIMZQGOMFAL-UHFFFAOYSA-N -1 3 395.439 3.587 20 0 GHADHM Cc1sc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(-c2nn[n-]n2)c1C ZINC000826350228 608000424 /nfs/dbraw/zinc/00/04/24/608000424.db2.gz MXVNIMZQGOMFAL-UHFFFAOYSA-N -1 3 395.439 3.587 20 0 GHADHM C[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824427748 608016987 /nfs/dbraw/zinc/01/69/87/608016987.db2.gz NZIOEGFEIJMAPD-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM C[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824427748 608016988 /nfs/dbraw/zinc/01/69/88/608016988.db2.gz NZIOEGFEIJMAPD-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000826255193 608026876 /nfs/dbraw/zinc/02/68/76/608026876.db2.gz OZFPXFMCIYQPAJ-AWEZNQCLSA-N -1 3 388.431 3.787 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000826255193 608026877 /nfs/dbraw/zinc/02/68/77/608026877.db2.gz OZFPXFMCIYQPAJ-AWEZNQCLSA-N -1 3 388.431 3.787 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc[nH]1 ZINC000824507072 608031084 /nfs/dbraw/zinc/03/10/84/608031084.db2.gz SQEHXJCDNKBXNK-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc[nH]1 ZINC000824507072 608031085 /nfs/dbraw/zinc/03/10/85/608031085.db2.gz SQEHXJCDNKBXNK-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM Clc1ccc2nccc(N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)c2c1 ZINC000826352677 608051934 /nfs/dbraw/zinc/05/19/34/608051934.db2.gz KAVZVMPZPPAFKC-LJQANCHMSA-N -1 3 392.850 3.646 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)ccc(Cl)c1Cl ZINC000826441202 608054679 /nfs/dbraw/zinc/05/46/79/608054679.db2.gz SXUNUEGFUJGHIG-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)ccc(Cl)c1Cl ZINC000826441202 608054680 /nfs/dbraw/zinc/05/46/80/608054680.db2.gz SXUNUEGFUJGHIG-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM CCN(C(=O)c1c[nH]c2cccc(F)c12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376537 608058130 /nfs/dbraw/zinc/05/81/30/608058130.db2.gz IVAWEMHUHZMQKV-LBPRGKRZSA-N -1 3 378.411 3.710 20 0 GHADHM CCN(C(=O)c1c[nH]c2cccc(F)c12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376537 608058131 /nfs/dbraw/zinc/05/81/31/608058131.db2.gz IVAWEMHUHZMQKV-LBPRGKRZSA-N -1 3 378.411 3.710 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000825620555 608058298 /nfs/dbraw/zinc/05/82/98/608058298.db2.gz DKDCFLQBCZZJEL-UHFFFAOYSA-N -1 3 387.390 3.505 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000825620555 608058299 /nfs/dbraw/zinc/05/82/99/608058299.db2.gz DKDCFLQBCZZJEL-UHFFFAOYSA-N -1 3 387.390 3.505 20 0 GHADHM O=C(OCc1ccon1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826467036 608059913 /nfs/dbraw/zinc/05/99/13/608059913.db2.gz DQBVTHDQZWEQHF-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM O=C(OCc1ccon1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826467036 608059914 /nfs/dbraw/zinc/05/99/14/608059914.db2.gz DQBVTHDQZWEQHF-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000826236318 608074117 /nfs/dbraw/zinc/07/41/17/608074117.db2.gz HDHWAWPZNJPFFK-VIFPVBQESA-N -1 3 392.797 3.989 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000826236318 608074118 /nfs/dbraw/zinc/07/41/18/608074118.db2.gz HDHWAWPZNJPFFK-VIFPVBQESA-N -1 3 392.797 3.989 20 0 GHADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825966173 608105805 /nfs/dbraw/zinc/10/58/05/608105805.db2.gz RIGNIFUMIOSEBU-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825966173 608105806 /nfs/dbraw/zinc/10/58/06/608105806.db2.gz RIGNIFUMIOSEBU-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1scnc1C1CC1 ZINC000824293666 608106228 /nfs/dbraw/zinc/10/62/28/608106228.db2.gz WBJSISZFFQTQAO-UHFFFAOYSA-N -1 3 383.481 3.643 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1scnc1C1CC1 ZINC000824293666 608106229 /nfs/dbraw/zinc/10/62/29/608106229.db2.gz WBJSISZFFQTQAO-UHFFFAOYSA-N -1 3 383.481 3.643 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826455466 608119134 /nfs/dbraw/zinc/11/91/34/608119134.db2.gz PNOIPHNLCAJDAD-INIZCTEOSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826455466 608119135 /nfs/dbraw/zinc/11/91/35/608119135.db2.gz PNOIPHNLCAJDAD-INIZCTEOSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1CC[C@H](C2CC2)C1 ZINC000826474623 608121913 /nfs/dbraw/zinc/12/19/13/608121913.db2.gz YCECZFNFAGGRPP-HNNXBMFYSA-N -1 3 391.500 3.890 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1CC[C@H](C2CC2)C1 ZINC000826474623 608121914 /nfs/dbraw/zinc/12/19/14/608121914.db2.gz YCECZFNFAGGRPP-HNNXBMFYSA-N -1 3 391.500 3.890 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1c(F)cccc1F ZINC000824319459 608153808 /nfs/dbraw/zinc/15/38/08/608153808.db2.gz RFUDOANUOSVLEK-LLVKDONJSA-N -1 3 387.390 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1c(F)cccc1F ZINC000824319459 608153809 /nfs/dbraw/zinc/15/38/09/608153809.db2.gz RFUDOANUOSVLEK-LLVKDONJSA-N -1 3 387.390 3.674 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826297835 608163487 /nfs/dbraw/zinc/16/34/87/608163487.db2.gz UTHKSXGSFHXJQM-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826297835 608163488 /nfs/dbraw/zinc/16/34/88/608163488.db2.gz UTHKSXGSFHXJQM-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826343247 608183129 /nfs/dbraw/zinc/18/31/29/608183129.db2.gz SJKINEQAMAOIHT-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826343247 608183131 /nfs/dbraw/zinc/18/31/31/608183131.db2.gz SJKINEQAMAOIHT-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826343246 608183234 /nfs/dbraw/zinc/18/32/34/608183234.db2.gz SJKINEQAMAOIHT-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826343246 608183236 /nfs/dbraw/zinc/18/32/36/608183236.db2.gz SJKINEQAMAOIHT-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082674 608184403 /nfs/dbraw/zinc/18/44/03/608184403.db2.gz UQUHBYMDAVKQLO-STQMWFEESA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082674 608184404 /nfs/dbraw/zinc/18/44/04/608184404.db2.gz UQUHBYMDAVKQLO-STQMWFEESA-N -1 3 380.452 3.830 20 0 GHADHM C[C@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826232404 608192107 /nfs/dbraw/zinc/19/21/07/608192107.db2.gz JEEUSPNOPIOPML-LBPRGKRZSA-N -1 3 380.360 3.550 20 0 GHADHM C[C@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826232404 608192108 /nfs/dbraw/zinc/19/21/08/608192108.db2.gz JEEUSPNOPIOPML-LBPRGKRZSA-N -1 3 380.360 3.550 20 0 GHADHM Cc1cccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)c1 ZINC000826297341 608194275 /nfs/dbraw/zinc/19/42/75/608194275.db2.gz DDBCORBIUKFQDE-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM Cc1cccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)c1 ZINC000826297341 608194276 /nfs/dbraw/zinc/19/42/76/608194276.db2.gz DDBCORBIUKFQDE-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC(F)F ZINC000826204098 608223525 /nfs/dbraw/zinc/22/35/25/608223525.db2.gz XFKZOGPTJZVLKR-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC(F)F ZINC000826204098 608223526 /nfs/dbraw/zinc/22/35/26/608223526.db2.gz XFKZOGPTJZVLKR-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM CC1CCC(OC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)CC1 ZINC000824917858 608226377 /nfs/dbraw/zinc/22/63/77/608226377.db2.gz OGWABBQUQJHYJQ-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM CC1CCC(OC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)CC1 ZINC000824917858 608226379 /nfs/dbraw/zinc/22/63/79/608226379.db2.gz OGWABBQUQJHYJQ-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM Fc1ccc(CNc2cc(F)c(F)cc2Br)cc1-c1nnn[n-]1 ZINC000826372221 608237077 /nfs/dbraw/zinc/23/70/77/608237077.db2.gz NBVBRIZSPPNVIC-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(CNc2cc(F)c(F)cc2Br)cc1-c1nn[n-]n1 ZINC000826372221 608237079 /nfs/dbraw/zinc/23/70/79/608237079.db2.gz NBVBRIZSPPNVIC-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000826190180 608239775 /nfs/dbraw/zinc/23/97/75/608239775.db2.gz SDZOUMWABVXJPC-XCLFUZPHSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000826190180 608239777 /nfs/dbraw/zinc/23/97/77/608239777.db2.gz SDZOUMWABVXJPC-XCLFUZPHSA-N -1 3 390.447 3.612 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825192033 608240442 /nfs/dbraw/zinc/24/04/42/608240442.db2.gz FVOIDZUIAVPBJY-WFASDCNBSA-N -1 3 397.508 3.709 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825192033 608240444 /nfs/dbraw/zinc/24/04/44/608240444.db2.gz FVOIDZUIAVPBJY-WFASDCNBSA-N -1 3 397.508 3.709 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826400926 608242014 /nfs/dbraw/zinc/24/20/14/608242014.db2.gz LDUVBNGLHMEUMF-KXFIGUGUSA-N -1 3 396.357 3.601 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826400926 608242015 /nfs/dbraw/zinc/24/20/15/608242015.db2.gz LDUVBNGLHMEUMF-KXFIGUGUSA-N -1 3 396.357 3.601 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C2CC2)cc1 ZINC000826406353 608245282 /nfs/dbraw/zinc/24/52/82/608245282.db2.gz STEZGMHAGXEHRT-UHFFFAOYSA-N -1 3 377.448 3.932 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C2CC2)cc1 ZINC000826406353 608245284 /nfs/dbraw/zinc/24/52/84/608245284.db2.gz STEZGMHAGXEHRT-UHFFFAOYSA-N -1 3 377.448 3.932 20 0 GHADHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826456134 608270441 /nfs/dbraw/zinc/27/04/41/608270441.db2.gz RFTJNGQCGURJRD-UHFFFAOYSA-N -1 3 389.440 3.782 20 0 GHADHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826456134 608270443 /nfs/dbraw/zinc/27/04/43/608270443.db2.gz RFTJNGQCGURJRD-UHFFFAOYSA-N -1 3 389.440 3.782 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826520607 608279548 /nfs/dbraw/zinc/27/95/48/608279548.db2.gz NYLGZJPLIZGUMQ-XLIONFOSSA-N -1 3 390.491 3.720 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826520607 608279549 /nfs/dbraw/zinc/27/95/49/608279549.db2.gz NYLGZJPLIZGUMQ-XLIONFOSSA-N -1 3 390.491 3.720 20 0 GHADHM Cc1cccc(NC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)c1 ZINC000826299546 608290148 /nfs/dbraw/zinc/29/01/48/608290148.db2.gz KFMUCQAVHWCDBK-UHFFFAOYSA-N -1 3 389.507 3.530 20 0 GHADHM Cc1cccc(NC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)c1 ZINC000826299546 608290149 /nfs/dbraw/zinc/29/01/49/608290149.db2.gz KFMUCQAVHWCDBK-UHFFFAOYSA-N -1 3 389.507 3.530 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000825322340 608291250 /nfs/dbraw/zinc/29/12/50/608291250.db2.gz ATSVAFQTCBYMDZ-CQSZACIVSA-N -1 3 376.464 3.729 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000825322340 608291251 /nfs/dbraw/zinc/29/12/51/608291251.db2.gz ATSVAFQTCBYMDZ-CQSZACIVSA-N -1 3 376.464 3.729 20 0 GHADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826281963 608305641 /nfs/dbraw/zinc/30/56/41/608305641.db2.gz RBZYGROQQBOXSU-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826281963 608305643 /nfs/dbraw/zinc/30/56/43/608305643.db2.gz RBZYGROQQBOXSU-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000826250920 608312034 /nfs/dbraw/zinc/31/20/34/608312034.db2.gz YZDWOZJPZKUEMR-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000826250920 608312036 /nfs/dbraw/zinc/31/20/36/608312036.db2.gz YZDWOZJPZKUEMR-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM Cc1ccsc1CCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826316821 608324680 /nfs/dbraw/zinc/32/46/80/608324680.db2.gz ZTMPTBVNNVHQOI-UHFFFAOYSA-N -1 3 389.484 3.876 20 0 GHADHM Cc1ccsc1CCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826316821 608324682 /nfs/dbraw/zinc/32/46/82/608324682.db2.gz ZTMPTBVNNVHQOI-UHFFFAOYSA-N -1 3 389.484 3.876 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nc2ccccc2s1 ZINC000825318262 608329870 /nfs/dbraw/zinc/32/98/70/608329870.db2.gz KRYBYEGAYVFIMM-UHFFFAOYSA-N -1 3 378.461 3.529 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nc2ccccc2s1 ZINC000825318262 608329872 /nfs/dbraw/zinc/32/98/72/608329872.db2.gz KRYBYEGAYVFIMM-UHFFFAOYSA-N -1 3 378.461 3.529 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc2ccccc2s1 ZINC000824325090 608333979 /nfs/dbraw/zinc/33/39/79/608333979.db2.gz ZZYUFICJWNGHMX-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM CCN(C(=O)c1ccc(Cl)nc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386136 608342326 /nfs/dbraw/zinc/34/23/26/608342326.db2.gz YYHRRNOUUKQOIY-UHFFFAOYSA-N -1 3 377.235 3.544 20 0 GHADHM CCN(C(=O)c1ccc(Cl)nc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386136 608342328 /nfs/dbraw/zinc/34/23/28/608342328.db2.gz YYHRRNOUUKQOIY-UHFFFAOYSA-N -1 3 377.235 3.544 20 0 GHADHM CCN(C(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367528 608344693 /nfs/dbraw/zinc/34/46/93/608344693.db2.gz RVNSYMBXPLBPEP-AWEZNQCLSA-N -1 3 385.880 3.763 20 0 GHADHM CCN(C(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367528 608344694 /nfs/dbraw/zinc/34/46/94/608344694.db2.gz RVNSYMBXPLBPEP-AWEZNQCLSA-N -1 3 385.880 3.763 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824192781 608356013 /nfs/dbraw/zinc/35/60/13/608356013.db2.gz MJOXGVHHZYPRDM-HNNXBMFYSA-N -1 3 378.480 3.720 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824192781 608356014 /nfs/dbraw/zinc/35/60/14/608356014.db2.gz MJOXGVHHZYPRDM-HNNXBMFYSA-N -1 3 378.480 3.720 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000825076592 608386981 /nfs/dbraw/zinc/38/69/81/608386981.db2.gz WSDUFKXBXCLERN-CYBMUJFWSA-N -1 3 397.508 3.511 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000825076592 608386983 /nfs/dbraw/zinc/38/69/83/608386983.db2.gz WSDUFKXBXCLERN-CYBMUJFWSA-N -1 3 397.508 3.511 20 0 GHADHM CC(C)c1nnc(SCc2cccc(-c3nnn[n-]3)c2F)n1Cc1ccco1 ZINC000824364581 608395460 /nfs/dbraw/zinc/39/54/60/608395460.db2.gz MGRKGIIVXSIADU-UHFFFAOYSA-N -1 3 399.455 3.654 20 0 GHADHM CC(C)c1nnc(SCc2cccc(-c3nn[n-]n3)c2F)n1Cc1ccco1 ZINC000824364581 608395462 /nfs/dbraw/zinc/39/54/62/608395462.db2.gz MGRKGIIVXSIADU-UHFFFAOYSA-N -1 3 399.455 3.654 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000825668967 608404296 /nfs/dbraw/zinc/40/42/96/608404296.db2.gz NGHMKODLMHGRMH-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000825668967 608404297 /nfs/dbraw/zinc/40/42/97/608404297.db2.gz NGHMKODLMHGRMH-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM c1ccc(-c2cncnc2N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823868012 608408861 /nfs/dbraw/zinc/40/88/61/608408861.db2.gz MUPSSVBNKYXWTB-UHFFFAOYSA-N -1 3 381.443 3.617 20 0 GHADHM c1ccc(-c2cncnc2N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823868012 608408863 /nfs/dbraw/zinc/40/88/63/608408863.db2.gz MUPSSVBNKYXWTB-UHFFFAOYSA-N -1 3 381.443 3.617 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826403738 608447034 /nfs/dbraw/zinc/44/70/34/608447034.db2.gz AVSVSHQWVWCWMZ-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826403738 608447036 /nfs/dbraw/zinc/44/70/36/608447036.db2.gz AVSVSHQWVWCWMZ-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM Cc1nc(CCOC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cs1 ZINC000826325928 608455972 /nfs/dbraw/zinc/45/59/72/608455972.db2.gz RDDLIURGGAVVLK-UHFFFAOYSA-N -1 3 391.456 3.698 20 0 GHADHM Cc1nc(CCOC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cs1 ZINC000826325928 608455973 /nfs/dbraw/zinc/45/59/73/608455973.db2.gz RDDLIURGGAVVLK-UHFFFAOYSA-N -1 3 391.456 3.698 20 0 GHADHM C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626396 608462478 /nfs/dbraw/zinc/46/24/78/608462478.db2.gz NPBOFCAYRGRQJS-LLVKDONJSA-N -1 3 382.374 3.651 20 0 GHADHM C[C@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824507421 608475032 /nfs/dbraw/zinc/47/50/32/608475032.db2.gz XHNGKGQHBGTOAL-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824507421 608475033 /nfs/dbraw/zinc/47/50/33/608475033.db2.gz XHNGKGQHBGTOAL-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM CC(C)Oc1ccccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824334201 608479809 /nfs/dbraw/zinc/47/98/09/608479809.db2.gz RJHOAYLSBZYFQK-UHFFFAOYSA-N -1 3 389.459 3.583 20 0 GHADHM CC(C)Oc1ccccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824334201 608479811 /nfs/dbraw/zinc/47/98/11/608479811.db2.gz RJHOAYLSBZYFQK-UHFFFAOYSA-N -1 3 389.459 3.583 20 0 GHADHM C[C@]1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCc2ccccc2C1 ZINC000824778082 608483308 /nfs/dbraw/zinc/48/33/08/608483308.db2.gz NKBSCOGRQUXPJI-DEOSSOPVSA-N -1 3 399.498 3.678 20 0 GHADHM C[C@]1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCc2ccccc2C1 ZINC000824778082 608483310 /nfs/dbraw/zinc/48/33/10/608483310.db2.gz NKBSCOGRQUXPJI-DEOSSOPVSA-N -1 3 399.498 3.678 20 0 GHADHM Fc1cccc(Br)c1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826376367 608529889 /nfs/dbraw/zinc/52/98/89/608529889.db2.gz ALNNGIXSHKFIIT-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM Fc1cccc(Br)c1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826376367 608529891 /nfs/dbraw/zinc/52/98/91/608529891.db2.gz ALNNGIXSHKFIIT-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1Cl ZINC000824498385 608537856 /nfs/dbraw/zinc/53/78/56/608537856.db2.gz GFQCGNGEPITXGU-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1Cl ZINC000824498385 608537857 /nfs/dbraw/zinc/53/78/57/608537857.db2.gz GFQCGNGEPITXGU-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825637879 608544372 /nfs/dbraw/zinc/54/43/72/608544372.db2.gz AELIZMGFGSALPX-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825637879 608544374 /nfs/dbraw/zinc/54/43/74/608544374.db2.gz AELIZMGFGSALPX-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1Cl ZINC000826454282 608546657 /nfs/dbraw/zinc/54/66/57/608546657.db2.gz QCKNQDUEMSAHTH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1Cl ZINC000826454282 608546658 /nfs/dbraw/zinc/54/66/58/608546658.db2.gz QCKNQDUEMSAHTH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM c1cc2c(ccnc2NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826519232 608557064 /nfs/dbraw/zinc/55/70/64/608557064.db2.gz PNITZULEGFEIKC-UHFFFAOYSA-N -1 3 393.476 3.674 20 0 GHADHM c1cc2c(ccnc2NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826519232 608557065 /nfs/dbraw/zinc/55/70/65/608557065.db2.gz PNITZULEGFEIKC-UHFFFAOYSA-N -1 3 393.476 3.674 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825006219 608574618 /nfs/dbraw/zinc/57/46/18/608574618.db2.gz GOEAGUGTKOBMHF-SNUQEOBHSA-N -1 3 397.866 3.511 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825006219 608574620 /nfs/dbraw/zinc/57/46/20/608574620.db2.gz GOEAGUGTKOBMHF-SNUQEOBHSA-N -1 3 397.866 3.511 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824899649 608576795 /nfs/dbraw/zinc/57/67/95/608576795.db2.gz MLDMXOYDWPOARV-WWGRRREGSA-N -1 3 381.867 3.927 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824899649 608576797 /nfs/dbraw/zinc/57/67/97/608576797.db2.gz MLDMXOYDWPOARV-WWGRRREGSA-N -1 3 381.867 3.927 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(Cl)cccc1N1CCCC1 ZINC000825976795 608581003 /nfs/dbraw/zinc/58/10/03/608581003.db2.gz QEBDYNYMKDVUAR-UHFFFAOYSA-N -1 3 382.899 3.752 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826339865 608601298 /nfs/dbraw/zinc/60/12/98/608601298.db2.gz XOBOZDNFIHRSJC-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826339865 608601300 /nfs/dbraw/zinc/60/13/00/608601300.db2.gz XOBOZDNFIHRSJC-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cc1sc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c(-c2nnn[n-]2)c1C ZINC000826350121 608667708 /nfs/dbraw/zinc/66/77/08/608667708.db2.gz JITXHSHEJYLMCQ-UHFFFAOYSA-N -1 3 385.497 3.527 20 0 GHADHM Cc1sc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c(-c2nn[n-]n2)c1C ZINC000826350121 608667709 /nfs/dbraw/zinc/66/77/09/608667709.db2.gz JITXHSHEJYLMCQ-UHFFFAOYSA-N -1 3 385.497 3.527 20 0 GHADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c(C)cc1Br ZINC000826257690 608671895 /nfs/dbraw/zinc/67/18/95/608671895.db2.gz LRTKKXBZCNSKJQ-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c(C)cc1Br ZINC000826257690 608671896 /nfs/dbraw/zinc/67/18/96/608671896.db2.gz LRTKKXBZCNSKJQ-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM FC(F)CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000826369797 608693164 /nfs/dbraw/zinc/69/31/64/608693164.db2.gz QSXALQCYINKFOB-UHFFFAOYSA-N -1 3 385.418 3.675 20 0 GHADHM FC(F)CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000826369797 608693165 /nfs/dbraw/zinc/69/31/65/608693165.db2.gz QSXALQCYINKFOB-UHFFFAOYSA-N -1 3 385.418 3.675 20 0 GHADHM COc1ccc2cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c(C)nc2c1 ZINC000826212937 608820043 /nfs/dbraw/zinc/82/00/43/608820043.db2.gz GGMPJMWXMPOTDT-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c(C)nc2c1 ZINC000826212937 608820044 /nfs/dbraw/zinc/82/00/44/608820044.db2.gz GGMPJMWXMPOTDT-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825012226 608828235 /nfs/dbraw/zinc/82/82/35/608828235.db2.gz FGRSPPOXOYDVBD-STQMWFEESA-N -1 3 397.479 3.632 20 0 GHADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825012226 608828236 /nfs/dbraw/zinc/82/82/36/608828236.db2.gz FGRSPPOXOYDVBD-STQMWFEESA-N -1 3 397.479 3.632 20 0 GHADHM Clc1oc2ccccc2c1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826354515 608854228 /nfs/dbraw/zinc/85/42/28/608854228.db2.gz IHSKIBZUXRLVFK-GOSISDBHSA-N -1 3 395.850 3.840 20 0 GHADHM Clc1oc2ccccc2c1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826354515 608854231 /nfs/dbraw/zinc/85/42/31/608854231.db2.gz IHSKIBZUXRLVFK-GOSISDBHSA-N -1 3 395.850 3.840 20 0 GHADHM C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539422 609155497 /nfs/dbraw/zinc/15/54/97/609155497.db2.gz NWIGRNUOCBKXBQ-RBZFPXEDSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539422 609155499 /nfs/dbraw/zinc/15/54/99/609155499.db2.gz NWIGRNUOCBKXBQ-RBZFPXEDSA-N -1 3 392.413 3.980 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826185677 609157099 /nfs/dbraw/zinc/15/70/99/609157099.db2.gz QRMDEFBTXIOWMH-QXLXQBSBSA-N -1 3 390.447 3.585 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826185677 609157101 /nfs/dbraw/zinc/15/71/01/609157101.db2.gz QRMDEFBTXIOWMH-QXLXQBSBSA-N -1 3 390.447 3.585 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826283276 609166463 /nfs/dbraw/zinc/16/64/63/609166463.db2.gz NUGVMXAABOTSQX-CQSZACIVSA-N -1 3 390.447 3.918 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826283276 609166466 /nfs/dbraw/zinc/16/64/66/609166466.db2.gz NUGVMXAABOTSQX-CQSZACIVSA-N -1 3 390.447 3.918 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826375906 609170092 /nfs/dbraw/zinc/17/00/92/609170092.db2.gz GTSKJPFAGQYZFL-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826375906 609170093 /nfs/dbraw/zinc/17/00/93/609170093.db2.gz GTSKJPFAGQYZFL-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM O=C1CCCCN1c1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826479754 609176763 /nfs/dbraw/zinc/17/67/63/609176763.db2.gz HLXYWBDGFCVUGI-FQEVSTJZSA-N -1 3 388.475 3.873 20 0 GHADHM O=C1CCCCN1c1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826479754 609176766 /nfs/dbraw/zinc/17/67/66/609176766.db2.gz HLXYWBDGFCVUGI-FQEVSTJZSA-N -1 3 388.475 3.873 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccc(C)o2)n1 ZINC000825481252 609178285 /nfs/dbraw/zinc/17/82/85/609178285.db2.gz USVTYQJMRUWANN-UHFFFAOYSA-N -1 3 381.465 3.936 20 0 GHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)nn1-c1cc(C)cc(C)c1 ZINC000826264334 609180890 /nfs/dbraw/zinc/18/08/90/609180890.db2.gz KPZMRKGBAUAZTJ-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)nn1-c1cc(C)cc(C)c1 ZINC000826264334 609180892 /nfs/dbraw/zinc/18/08/92/609180892.db2.gz KPZMRKGBAUAZTJ-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000826469296 609207597 /nfs/dbraw/zinc/20/75/97/609207597.db2.gz ATMGJTJANLLTLI-OAHLLOKOSA-N -1 3 390.369 3.581 20 0 GHADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000826469296 609207598 /nfs/dbraw/zinc/20/75/98/609207598.db2.gz ATMGJTJANLLTLI-OAHLLOKOSA-N -1 3 390.369 3.581 20 0 GHADHM Cc1c(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000826240738 609233968 /nfs/dbraw/zinc/23/39/68/609233968.db2.gz FYSNTBUQXGBZDU-LLVKDONJSA-N -1 3 383.839 3.676 20 0 GHADHM Cc1c(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000826240738 609233970 /nfs/dbraw/zinc/23/39/70/609233970.db2.gz FYSNTBUQXGBZDU-LLVKDONJSA-N -1 3 383.839 3.676 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826161036 609247351 /nfs/dbraw/zinc/24/73/51/609247351.db2.gz QHXCYAQYBDBTAZ-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826161036 609247353 /nfs/dbraw/zinc/24/73/53/609247353.db2.gz QHXCYAQYBDBTAZ-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825953971 609272074 /nfs/dbraw/zinc/27/20/74/609272074.db2.gz UKACULSVYVRSSH-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825953971 609272075 /nfs/dbraw/zinc/27/20/75/609272075.db2.gz UKACULSVYVRSSH-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)c2)n1 ZINC000826264952 609276730 /nfs/dbraw/zinc/27/67/30/609276730.db2.gz HINVSNAFSQKRAZ-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)c2)n1 ZINC000826264952 609276731 /nfs/dbraw/zinc/27/67/31/609276731.db2.gz HINVSNAFSQKRAZ-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM CSc1cc2c(cc1N[C@@H]1CCCc3cc(-c4nnn[n-]4)ccc31)OCCO2 ZINC000826230056 609278768 /nfs/dbraw/zinc/27/87/68/609278768.db2.gz BQOTWVOJAYGEAC-OAHLLOKOSA-N -1 3 395.488 3.849 20 0 GHADHM CSc1cc2c(cc1N[C@@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCO2 ZINC000826230056 609278771 /nfs/dbraw/zinc/27/87/71/609278771.db2.gz BQOTWVOJAYGEAC-OAHLLOKOSA-N -1 3 395.488 3.849 20 0 GHADHM O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457485 609291047 /nfs/dbraw/zinc/29/10/47/609291047.db2.gz DCIMBHRCZCFJBM-UHFFFAOYSA-N -1 3 396.760 3.747 20 0 GHADHM O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457485 609291048 /nfs/dbraw/zinc/29/10/48/609291048.db2.gz DCIMBHRCZCFJBM-UHFFFAOYSA-N -1 3 396.760 3.747 20 0 GHADHM FC(F)Oc1ccc([C@H](NCc2ccccc2-c2nnn[n-]2)C(F)(F)F)cc1 ZINC000826369506 609297675 /nfs/dbraw/zinc/29/76/75/609297675.db2.gz GABHLZDNOKHQMW-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccc([C@H](NCc2ccccc2-c2nn[n-]n2)C(F)(F)F)cc1 ZINC000826369506 609297677 /nfs/dbraw/zinc/29/76/77/609297677.db2.gz GABHLZDNOKHQMW-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM O=C(Nc1cc(Br)ccc1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451707 609299074 /nfs/dbraw/zinc/29/90/74/609299074.db2.gz SEYZVIUUXAPZNL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cc(Br)ccc1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451707 609299076 /nfs/dbraw/zinc/29/90/76/609299076.db2.gz SEYZVIUUXAPZNL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1nnc(SCC(=O)c2ccc(C(C)(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826337035 609304353 /nfs/dbraw/zinc/30/43/53/609304353.db2.gz ZHWRVJZEZBAPOG-UHFFFAOYSA-N -1 3 382.493 3.546 20 0 GHADHM Cc1nnc(SCC(=O)c2ccc(C(C)(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000826337035 609304355 /nfs/dbraw/zinc/30/43/55/609304355.db2.gz ZHWRVJZEZBAPOG-UHFFFAOYSA-N -1 3 382.493 3.546 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1C ZINC000825074052 609312715 /nfs/dbraw/zinc/31/27/15/609312715.db2.gz DKIZGRCCBCVQHS-OAHLLOKOSA-N -1 3 395.511 3.641 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1C ZINC000825074052 609312717 /nfs/dbraw/zinc/31/27/17/609312717.db2.gz DKIZGRCCBCVQHS-OAHLLOKOSA-N -1 3 395.511 3.641 20 0 GHADHM Cc1ccsc1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826316281 609314923 /nfs/dbraw/zinc/31/49/23/609314923.db2.gz JKNCKRFCCDEAIO-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM Cc1ccsc1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826316281 609314925 /nfs/dbraw/zinc/31/49/25/609314925.db2.gz JKNCKRFCCDEAIO-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826288739 609315183 /nfs/dbraw/zinc/31/51/83/609315183.db2.gz UVXJZUUSLHJOFR-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826288739 609315185 /nfs/dbraw/zinc/31/51/85/609315185.db2.gz UVXJZUUSLHJOFR-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM Fc1cccc(-n2ccc(NCc3ccc(Cl)c(F)c3)n2)c1-c1nnn[n-]1 ZINC000826372389 609320023 /nfs/dbraw/zinc/32/00/23/609320023.db2.gz UGBOTRSPPPZAJF-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM CC[C@@H](O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000825152494 609326889 /nfs/dbraw/zinc/32/68/89/609326889.db2.gz AEVSKKCUEDZCTM-MRXNPFEDSA-N -1 3 389.253 3.652 20 0 GHADHM CC[C@@H](O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000825152494 609326890 /nfs/dbraw/zinc/32/68/90/609326890.db2.gz AEVSKKCUEDZCTM-MRXNPFEDSA-N -1 3 389.253 3.652 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825165261 609328764 /nfs/dbraw/zinc/32/87/64/609328764.db2.gz XHLDGLFZBWETMA-OAQYLSRUSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825165261 609328766 /nfs/dbraw/zinc/32/87/66/609328766.db2.gz XHLDGLFZBWETMA-OAQYLSRUSA-N -1 3 377.448 3.921 20 0 GHADHM Cc1ncc(CSCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826330344 609329444 /nfs/dbraw/zinc/32/94/44/609329444.db2.gz PXNPAIMAUONKDO-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM Cc1ncc(CSCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826330344 609329446 /nfs/dbraw/zinc/32/94/46/609329446.db2.gz PXNPAIMAUONKDO-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM Cc1ccsc1COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826316464 609338444 /nfs/dbraw/zinc/33/84/44/609338444.db2.gz PBDIIYUCRFFUAA-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ccsc1COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826316464 609338445 /nfs/dbraw/zinc/33/84/45/609338445.db2.gz PBDIIYUCRFFUAA-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM COc1cc(Br)cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826177239 609349866 /nfs/dbraw/zinc/34/98/66/609349866.db2.gz ZATMETBAXJFPPZ-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(Br)cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826177239 609349868 /nfs/dbraw/zinc/34/98/68/609349868.db2.gz ZATMETBAXJFPPZ-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM Cc1nc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)oc1C ZINC000826326283 609352302 /nfs/dbraw/zinc/35/23/02/609352302.db2.gz IVTHBGJAPFXMRG-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM Cc1nc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)oc1C ZINC000826326283 609352305 /nfs/dbraw/zinc/35/23/05/609352305.db2.gz IVTHBGJAPFXMRG-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM C[C@@H](c1ccco1)N(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000824770393 609366577 /nfs/dbraw/zinc/36/65/77/609366577.db2.gz JYMRWPILQMFCFV-NSHDSACASA-N -1 3 388.269 3.948 20 0 GHADHM C[C@@H](c1ccco1)N(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824770393 609366579 /nfs/dbraw/zinc/36/65/79/609366579.db2.gz JYMRWPILQMFCFV-NSHDSACASA-N -1 3 388.269 3.948 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825181173 609370106 /nfs/dbraw/zinc/37/01/06/609370106.db2.gz CGADLNYYVQYZTQ-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825181173 609370109 /nfs/dbraw/zinc/37/01/09/609370109.db2.gz CGADLNYYVQYZTQ-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249847 609374590 /nfs/dbraw/zinc/37/45/90/609374590.db2.gz VSQQYTBTHYWEGT-LPHOPBHVSA-N -1 3 385.512 3.697 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249847 609374593 /nfs/dbraw/zinc/37/45/93/609374593.db2.gz VSQQYTBTHYWEGT-LPHOPBHVSA-N -1 3 385.512 3.697 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273812 609397585 /nfs/dbraw/zinc/39/75/85/609397585.db2.gz VKEFDXDBBDHGRO-UHFFFAOYSA-N -1 3 394.412 3.536 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273812 609397588 /nfs/dbraw/zinc/39/75/88/609397588.db2.gz VKEFDXDBBDHGRO-UHFFFAOYSA-N -1 3 394.412 3.536 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000824977606 609443831 /nfs/dbraw/zinc/44/38/31/609443831.db2.gz RMNJJILWASTCTF-HCKVZZMMSA-N -1 3 376.917 3.727 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000824977606 609443833 /nfs/dbraw/zinc/44/38/33/609443833.db2.gz RMNJJILWASTCTF-HCKVZZMMSA-N -1 3 376.917 3.727 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000826286515 609444641 /nfs/dbraw/zinc/44/46/41/609444641.db2.gz FLEIDKMFZAYDOP-OAHLLOKOSA-N -1 3 379.464 3.780 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000826286515 609444642 /nfs/dbraw/zinc/44/46/42/609444642.db2.gz FLEIDKMFZAYDOP-OAHLLOKOSA-N -1 3 379.464 3.780 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823944126 609454108 /nfs/dbraw/zinc/45/41/08/609454108.db2.gz YEHQHJGBGBIKKQ-FMIVXFBMSA-N -1 3 385.374 3.819 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823944126 609454110 /nfs/dbraw/zinc/45/41/10/609454110.db2.gz YEHQHJGBGBIKKQ-FMIVXFBMSA-N -1 3 385.374 3.819 20 0 GHADHM Fc1cc(NCc2cncs2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372968 609484262 /nfs/dbraw/zinc/48/42/62/609484262.db2.gz UHOUEIYLMWHCJM-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM Fc1cc(NCc2cncs2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372968 609484264 /nfs/dbraw/zinc/48/42/64/609484264.db2.gz UHOUEIYLMWHCJM-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc(COc2ccccc2)cc1 ZINC000826523038 609487404 /nfs/dbraw/zinc/48/74/04/609487404.db2.gz YGTPMLGMNVWJAE-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc(COc2ccccc2)cc1 ZINC000826523038 609487405 /nfs/dbraw/zinc/48/74/05/609487405.db2.gz YGTPMLGMNVWJAE-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(SC)cc2)cc1-c1nnn[n-]1 ZINC000825553493 609490824 /nfs/dbraw/zinc/49/08/24/609490824.db2.gz RLLQRYHBIIXWLT-UHFFFAOYSA-N -1 3 384.465 3.769 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(SC)cc2)cc1-c1nn[n-]n1 ZINC000825553493 609490827 /nfs/dbraw/zinc/49/08/27/609490827.db2.gz RLLQRYHBIIXWLT-UHFFFAOYSA-N -1 3 384.465 3.769 20 0 GHADHM CC(C)Oc1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1-c1nnn[n-]1 ZINC000824329572 609492017 /nfs/dbraw/zinc/49/20/17/609492017.db2.gz RKAOULFPFSKNEE-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CC(C)Oc1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1-c1nn[n-]n1 ZINC000824329572 609492018 /nfs/dbraw/zinc/49/20/18/609492018.db2.gz RKAOULFPFSKNEE-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc(-c3ccccc3)nc2)cc1-c1nnn[n-]1 ZINC000824329663 609492347 /nfs/dbraw/zinc/49/23/47/609492347.db2.gz UADXQRUGQWQWTN-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc(-c3ccccc3)nc2)cc1-c1nn[n-]n1 ZINC000824329663 609492349 /nfs/dbraw/zinc/49/23/49/609492349.db2.gz UADXQRUGQWQWTN-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(Br)c1Cl ZINC000826457427 609507746 /nfs/dbraw/zinc/50/77/46/609507746.db2.gz AQCUVUCKCVZNGQ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(Br)c1Cl ZINC000826457427 609507747 /nfs/dbraw/zinc/50/77/47/609507747.db2.gz AQCUVUCKCVZNGQ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826457658 609507850 /nfs/dbraw/zinc/50/78/50/609507850.db2.gz KTZIBBLNOUELLV-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826457658 609507853 /nfs/dbraw/zinc/50/78/53/609507853.db2.gz KTZIBBLNOUELLV-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826239626 609539805 /nfs/dbraw/zinc/53/98/05/609539805.db2.gz LZVZDAKTPUWVJJ-WMLDXEAASA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826239626 609539806 /nfs/dbraw/zinc/53/98/06/609539806.db2.gz LZVZDAKTPUWVJJ-WMLDXEAASA-N -1 3 384.871 3.803 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722534 609590429 /nfs/dbraw/zinc/59/04/29/609590429.db2.gz JLKZSLJQSZTHNR-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722534 609590431 /nfs/dbraw/zinc/59/04/31/609590431.db2.gz JLKZSLJQSZTHNR-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826322969 609591466 /nfs/dbraw/zinc/59/14/66/609591466.db2.gz JSAAOENSLRPFSQ-UHFFFAOYSA-N -1 3 390.472 3.870 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826322969 609591469 /nfs/dbraw/zinc/59/14/69/609591469.db2.gz JSAAOENSLRPFSQ-UHFFFAOYSA-N -1 3 390.472 3.870 20 0 GHADHM O=C(C[C@H]1CCOc2ccccc21)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826404529 609613301 /nfs/dbraw/zinc/61/33/01/609613301.db2.gz CXXUJOYYAYCMBF-GFCCVEGCSA-N -1 3 384.823 3.520 20 0 GHADHM O=C(C[C@H]1CCOc2ccccc21)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826404529 609613304 /nfs/dbraw/zinc/61/33/04/609613304.db2.gz CXXUJOYYAYCMBF-GFCCVEGCSA-N -1 3 384.823 3.520 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1SCCc2ccccc21 ZINC000826465728 609615344 /nfs/dbraw/zinc/61/53/44/609615344.db2.gz ZRJRDOHXDYRGAQ-INIZCTEOSA-N -1 3 386.864 3.594 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1SCCc2ccccc21 ZINC000826465728 609615346 /nfs/dbraw/zinc/61/53/46/609615346.db2.gz ZRJRDOHXDYRGAQ-INIZCTEOSA-N -1 3 386.864 3.594 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CCSc2ccccc21 ZINC000826465569 609618337 /nfs/dbraw/zinc/61/83/37/609618337.db2.gz SBWXYXCASWKTSC-AWEZNQCLSA-N -1 3 386.864 3.843 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CCSc2ccccc21 ZINC000826465569 609618338 /nfs/dbraw/zinc/61/83/38/609618338.db2.gz SBWXYXCASWKTSC-AWEZNQCLSA-N -1 3 386.864 3.843 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c(C)c1C ZINC000176691232 837495693 /nfs/dbraw/zinc/49/56/93/837495693.db2.gz YOHUWBOZEWSHHS-UHFFFAOYSA-N -1 3 392.496 3.870 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CCC(OC(F)F)CC1 ZINC000655699029 837689739 /nfs/dbraw/zinc/68/97/39/837689739.db2.gz PTEINXMSIKYPIH-UHFFFAOYSA-N -1 3 393.228 3.504 20 0 GHADHM COc1cc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)ccc1O ZINC000177051746 837733129 /nfs/dbraw/zinc/73/31/29/837733129.db2.gz CLXLPCCINMAAOT-UHFFFAOYSA-N -1 3 397.456 3.591 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cccc3n[n-]nc32)c2ccc(F)cc2)cc1 ZINC000187472404 837760381 /nfs/dbraw/zinc/76/03/81/837760381.db2.gz CYSZPSNOBZLGSD-IBGZPJMESA-N -1 3 376.391 3.625 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(Cl)c(OC)c1 ZINC000414399682 837761542 /nfs/dbraw/zinc/76/15/42/837761542.db2.gz VPJOQIFFMGUZKN-UHFFFAOYSA-N -1 3 397.880 3.872 20 0 GHADHM C[C@H](CCCc1cccnc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000458547048 834442505 /nfs/dbraw/zinc/44/25/05/834442505.db2.gz IAYPSYLUEJBXDM-CYBMUJFWSA-N -1 3 392.297 3.760 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(O[C@@H]2CCOC2)cc1 ZINC000583479960 834459315 /nfs/dbraw/zinc/45/93/15/834459315.db2.gz SMUPAFCAKYLSNN-CQSZACIVSA-N -1 3 378.222 3.575 20 0 GHADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000510036412 834515721 /nfs/dbraw/zinc/51/57/21/834515721.db2.gz XETQNNXMWKGLCC-MRVPVSSYSA-N -1 3 396.822 3.640 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000728589254 834567993 /nfs/dbraw/zinc/56/79/93/834567993.db2.gz OJBITPHUCRNDGU-UHFFFAOYSA-N -1 3 397.324 3.575 20 0 GHADHM CSCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000170804154 834636834 /nfs/dbraw/zinc/63/68/34/834636834.db2.gz QMJWBRDFVRDNDR-SFHVURJKSA-N -1 3 384.501 3.541 20 0 GHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000583588081 834701610 /nfs/dbraw/zinc/70/16/10/834701610.db2.gz OUIBDPKRMSDTDT-UHFFFAOYSA-N -1 3 398.843 3.637 20 0 GHADHM CCc1cccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1[O-] ZINC000094014998 834711205 /nfs/dbraw/zinc/71/12/05/834711205.db2.gz YMRARGINDMTXRV-UHFFFAOYSA-N -1 3 380.366 3.807 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 ZINC000583647286 834807703 /nfs/dbraw/zinc/80/77/03/834807703.db2.gz OCQHRKOHHFESJL-AWEZNQCLSA-N -1 3 396.242 3.938 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cc3c(c(Cl)c2)OCO3)nc1-c1ccccc1 ZINC000547646673 834849390 /nfs/dbraw/zinc/84/93/90/834849390.db2.gz IPEFLRYMPLMVTG-UHFFFAOYSA-N -1 3 390.848 3.741 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cc3c(c(Cl)c2)OCO3)[n-]c1-c1ccccc1 ZINC000547646673 834849402 /nfs/dbraw/zinc/84/94/02/834849402.db2.gz IPEFLRYMPLMVTG-UHFFFAOYSA-N -1 3 390.848 3.741 20 0 GHADHM CC[C@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000683174012 834917688 /nfs/dbraw/zinc/91/76/88/834917688.db2.gz PDXIXOQXTAZZLU-RNODOKPDSA-N -1 3 391.439 3.936 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000047031440 834951410 /nfs/dbraw/zinc/95/14/10/834951410.db2.gz JXFJYGHFFVZPKS-LBPRGKRZSA-N -1 3 396.818 3.533 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000610193505 834996707 /nfs/dbraw/zinc/99/67/07/834996707.db2.gz DLFHMVRINFKYIN-UHFFFAOYSA-N -1 3 375.490 3.863 20 0 GHADHM Cc1ccc2nc(C)c(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2c1 ZINC000511290598 835049524 /nfs/dbraw/zinc/04/95/24/835049524.db2.gz YMKYXDMQXKODLJ-UHFFFAOYSA-N -1 3 395.260 3.936 20 0 GHADHM O=S(=O)([N-]Cc1ncoc1-c1ccccc1)c1ccc(Br)s1 ZINC000472334496 835065104 /nfs/dbraw/zinc/06/51/04/835065104.db2.gz IMZHTWIYCCZKCB-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4ccccc4C3)nc(=O)c2c1C ZINC000023748599 835213325 /nfs/dbraw/zinc/21/33/25/835213325.db2.gz DTRVSTPMQNELAT-CYBMUJFWSA-N -1 3 397.500 3.589 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccccn2)cc1 ZINC000433343523 844029432 /nfs/dbraw/zinc/02/94/32/844029432.db2.gz NNDADGKOMLMCGC-GOSISDBHSA-N -1 3 375.407 3.514 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccccc1Br ZINC000431625216 835334041 /nfs/dbraw/zinc/33/40/41/835334041.db2.gz NURGVPYHOUSBHT-CYBMUJFWSA-N -1 3 376.222 3.734 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(NCCc3cccs3)s2)n1 ZINC000151347657 835387584 /nfs/dbraw/zinc/38/75/84/835387584.db2.gz WCAKFXHJTOALCD-JTQLQIEISA-N -1 3 379.536 3.912 20 0 GHADHM O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ncccc1[O-] ZINC000612072976 835455554 /nfs/dbraw/zinc/45/55/54/835455554.db2.gz ZGTCMYILZZJYRP-UHFFFAOYSA-N -1 3 382.803 3.689 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[O-] ZINC000412262155 844056842 /nfs/dbraw/zinc/05/68/42/844056842.db2.gz QROAPHZCCIEULH-CQSZACIVSA-N -1 3 392.377 3.622 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc(-c2ccoc2)n1 ZINC000151540610 835502987 /nfs/dbraw/zinc/50/29/87/835502987.db2.gz CWBULIDMNKQYMP-UHFFFAOYSA-N -1 3 379.235 3.801 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151561732 835537965 /nfs/dbraw/zinc/53/79/65/835537965.db2.gz XTIQSHQSHMNUCG-LBPRGKRZSA-N -1 3 378.266 3.973 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1 ZINC000544078497 835849767 /nfs/dbraw/zinc/84/97/67/835849767.db2.gz JMHURAXFAQPPEC-UHFFFAOYSA-N -1 3 388.533 3.996 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cccnc1C1CC1 ZINC000612313743 836041731 /nfs/dbraw/zinc/04/17/31/836041731.db2.gz OMFXCSVKTMZCBD-UHFFFAOYSA-N -1 3 380.185 3.522 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]1c1cccs1 ZINC000429970054 844122201 /nfs/dbraw/zinc/12/22/01/844122201.db2.gz BAVHZKDHQRZZSX-ZDUSSCGKSA-N -1 3 391.294 3.949 20 0 GHADHM CCc1cc2c(CN(C)Cc3nc4ccccc4n3C)cc(=O)oc2cc1[O-] ZINC000177199869 836095237 /nfs/dbraw/zinc/09/52/37/836095237.db2.gz QKQSDQAIQRYDMV-UHFFFAOYSA-N -1 3 377.444 3.580 20 0 GHADHM CO[C@@H](CC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(F)(F)F ZINC001211528161 844126310 /nfs/dbraw/zinc/12/63/10/844126310.db2.gz GICZLTKIXJJMOC-JTQLQIEISA-N -1 3 394.242 3.856 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cccc(Br)c1 ZINC000180285951 836120697 /nfs/dbraw/zinc/12/06/97/836120697.db2.gz RAZBMXHVGOPTOE-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000045743842 836171623 /nfs/dbraw/zinc/17/16/23/836171623.db2.gz FLJPJSDZMOESSY-ZDUSSCGKSA-N -1 3 385.316 3.798 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cccnc1-n1cccn1 ZINC000180806906 836278053 /nfs/dbraw/zinc/27/80/53/836278053.db2.gz CLFOVVMGIKRFIJ-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000066583982 836344933 /nfs/dbraw/zinc/34/49/33/836344933.db2.gz XUOQFKDIGDNQFC-BQYQJAHWSA-N -1 3 384.299 3.813 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(C)(C(C)C)CC1 ZINC000275190199 836353437 /nfs/dbraw/zinc/35/34/37/836353437.db2.gz AOCJVZBSMHRHPK-UHFFFAOYSA-N -1 3 382.508 3.770 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccs1 ZINC000549721304 844164969 /nfs/dbraw/zinc/16/49/69/844164969.db2.gz DHGQYNFXONLDSK-CYBMUJFWSA-N -1 3 395.472 3.956 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000612643001 836532925 /nfs/dbraw/zinc/53/29/25/836532925.db2.gz KMKZPGLRJFGBCE-HOCLYGCPSA-N -1 3 390.277 3.973 20 0 GHADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000683344578 836548492 /nfs/dbraw/zinc/54/84/92/836548492.db2.gz OYDZBHPBUCUVMK-OAHLLOKOSA-N -1 3 390.472 3.610 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c2[O-] ZINC000430350543 836763586 /nfs/dbraw/zinc/76/35/86/836763586.db2.gz HYIHGTWMOURBDO-UHFFFAOYSA-N -1 3 378.354 3.766 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000155359497 836881995 /nfs/dbraw/zinc/88/19/95/836881995.db2.gz SEFSIXANWVXTRM-ZDUSSCGKSA-N -1 3 387.386 3.638 20 0 GHADHM COc1ccc(C)cc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000612854797 836882809 /nfs/dbraw/zinc/88/28/09/836882809.db2.gz DNLCJPZTOVVSDI-UHFFFAOYSA-N -1 3 378.432 3.796 20 0 GHADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)oc1C ZINC000533617687 837114659 /nfs/dbraw/zinc/11/46/59/837114659.db2.gz WDBPRPKYLOQUPI-UHFFFAOYSA-N -1 3 376.840 3.746 20 0 GHADHM Cc1cccc2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc21 ZINC000048029761 844246435 /nfs/dbraw/zinc/24/64/35/844246435.db2.gz WDIMIABOMSMUAT-CQSZACIVSA-N -1 3 381.457 3.554 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1F ZINC000549903328 844243425 /nfs/dbraw/zinc/24/34/25/844243425.db2.gz GLOPAVNWNSYPIA-GFCCVEGCSA-N -1 3 395.406 3.638 20 0 GHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000186479692 837236641 /nfs/dbraw/zinc/23/66/41/837236641.db2.gz CCKUVZVZTTVFCM-MRVPVSSYSA-N -1 3 382.404 3.691 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C(=O)N(C)C)c3)nc(=O)c2c1C ZINC000728642478 837310277 /nfs/dbraw/zinc/31/02/77/837310277.db2.gz YSZCEBSRTRHPIL-LLVKDONJSA-N -1 3 399.472 3.634 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H](C2CC2)C1 ZINC000685857425 837369219 /nfs/dbraw/zinc/36/92/19/837369219.db2.gz AUWYTZJDGWBICT-UNMCSNQZSA-N -1 3 392.499 3.902 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc(Cl)c1[O-] ZINC000186713815 837383883 /nfs/dbraw/zinc/38/38/83/837383883.db2.gz TUARYLPHEPQRRL-QGZVFWFLSA-N -1 3 376.884 3.785 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](c2ccco2)N(CC)CC)cc(Cl)c1[O-] ZINC000186713929 837384169 /nfs/dbraw/zinc/38/41/69/837384169.db2.gz HMUQZJAQRAJOKS-OAHLLOKOSA-N -1 3 380.872 3.850 20 0 GHADHM CC(C)(C)c1ccncc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000413390342 837919560 /nfs/dbraw/zinc/91/95/60/837919560.db2.gz XQDZDXGODYKADC-UHFFFAOYSA-N -1 3 392.297 3.847 20 0 GHADHM Cc1cc(C)cc([C@@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)c1 ZINC000431851669 837966865 /nfs/dbraw/zinc/96/68/65/837966865.db2.gz QKAMXLSJMYHIRN-INIZCTEOSA-N -1 3 389.249 3.565 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000579951305 837992593 /nfs/dbraw/zinc/99/25/93/837992593.db2.gz BZCRHKNHEQTWIJ-LSTHTHJFSA-N -1 3 386.536 3.690 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(C)o1 ZINC000177606211 838038613 /nfs/dbraw/zinc/03/86/13/838038613.db2.gz QUXFDPQFQKKSEL-UHFFFAOYSA-N -1 3 386.429 3.541 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@]4(C3)CCc3ccccc3O4)nc2)n1 ZINC000377990229 838257178 /nfs/dbraw/zinc/25/71/78/838257178.db2.gz OTQHGLBUEOCARV-QHCPKHFHSA-N -1 3 388.471 3.781 20 0 GHADHM Cc1cc(C(=O)N[N-]C(=O)c2ccccc2F)c(C)n1[C@@H](C)c1ccccc1 ZINC000024551166 838359043 /nfs/dbraw/zinc/35/90/43/838359043.db2.gz HOQCSBUINQPZDK-HNNXBMFYSA-N -1 3 379.435 3.928 20 0 GHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000024485496 838361107 /nfs/dbraw/zinc/36/11/07/838361107.db2.gz IMZJDNMJYCIXAR-JTQLQIEISA-N -1 3 394.301 3.638 20 0 GHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1NC(=O)NC(C)(C)C ZINC000151587723 838403939 /nfs/dbraw/zinc/40/39/39/838403939.db2.gz VAPAOVGRUGYFQI-UHFFFAOYSA-N -1 3 382.424 3.545 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)NN=c1ccc(Cl)n[n-]1 ZINC000024639996 838472905 /nfs/dbraw/zinc/47/29/05/838472905.db2.gz VBYCAKHYVMACSN-UHFFFAOYSA-N -1 3 381.867 3.978 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CC3)OCc3ccccc34)nc2)n1 ZINC000378131125 838477135 /nfs/dbraw/zinc/47/71/35/838477135.db2.gz GMMIVLQTAORDQT-UHFFFAOYSA-N -1 3 388.471 3.833 20 0 GHADHM O=S(=O)([N-]c1ccncc1F)c1c(Cl)cc(F)cc1Br ZINC000180167479 838524806 /nfs/dbraw/zinc/52/48/06/838524806.db2.gz PJGAQQBTXNVDAB-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)sc1Cl ZINC000188088602 838528087 /nfs/dbraw/zinc/52/80/87/838528087.db2.gz BKFLMPQMLPPCEG-LLVKDONJSA-N -1 3 397.909 3.723 20 0 GHADHM O=S(=O)([N-]c1ncccc1Br)c1ccc(OC(F)(F)F)cc1 ZINC000135233620 838577262 /nfs/dbraw/zinc/57/72/62/838577262.db2.gz UFYCVSOTQDEBHC-UHFFFAOYSA-N -1 3 397.172 3.544 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181336491 838582477 /nfs/dbraw/zinc/58/24/77/838582477.db2.gz PWKNYVXSVDQUMX-CQSZACIVSA-N -1 3 382.851 3.851 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000783092890 838629970 /nfs/dbraw/zinc/62/99/70/838629970.db2.gz IWQSPZKXOAIZQO-UHFFFAOYSA-N -1 3 396.790 3.638 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1cc(Cl)ccc1Cl ZINC000548044455 838675159 /nfs/dbraw/zinc/67/51/59/838675159.db2.gz QOENQMVSFWXUCT-ZDUSSCGKSA-N -1 3 376.236 3.935 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)nc(C3CC3)nc2SC)c([O-])c1 ZINC000536337628 838692164 /nfs/dbraw/zinc/69/21/64/838692164.db2.gz AKBXDYAEWKQEGV-UHFFFAOYSA-N -1 3 387.461 3.519 20 0 GHADHM CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000182482718 838728832 /nfs/dbraw/zinc/72/88/32/838728832.db2.gz NQQXGYREPIKQBZ-QZTJIDSGSA-N -1 3 388.414 3.543 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205257 838872218 /nfs/dbraw/zinc/87/22/18/838872218.db2.gz RWJMDECDWMQNEL-ZDUSSCGKSA-N -1 3 379.382 3.749 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893206461 838877618 /nfs/dbraw/zinc/87/76/18/838877618.db2.gz CLRGVHQAFAPISO-UHFFFAOYSA-N -1 3 379.382 3.749 20 0 GHADHM CCCCN(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183304562 838925984 /nfs/dbraw/zinc/92/59/84/838925984.db2.gz SZYHHXLHAMOMGO-UHFFFAOYSA-N -1 3 375.494 3.601 20 0 GHADHM C[C@@H]1[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1C ZINC000416325732 838964597 /nfs/dbraw/zinc/96/45/97/838964597.db2.gz YVMTYVYUMIABRV-KFWWJZLASA-N -1 3 390.480 3.743 20 0 GHADHM CCOC(=O)c1ccnc([N-]C(=O)c2cnc([C@H](C)OCC)s2)c1Cl ZINC000892808724 839131633 /nfs/dbraw/zinc/13/16/33/839131633.db2.gz CHSFIOGWHYEZAL-VIFPVBQESA-N -1 3 383.857 3.718 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C3CC(C)(C)C3)cs2)c1 ZINC000458179108 844409243 /nfs/dbraw/zinc/40/92/43/844409243.db2.gz GIODFWRQSCQIIZ-UHFFFAOYSA-N -1 3 387.505 3.599 20 0 GHADHM C[C@H]1OCC[C@@]12CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000548076519 839247304 /nfs/dbraw/zinc/24/73/04/839247304.db2.gz PGEJNQSBPRZSBH-QZTZHPFYSA-N -1 3 395.499 3.586 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000152691194 839261110 /nfs/dbraw/zinc/26/11/10/839261110.db2.gz YEPUMZSURWECIA-XJKSGUPXSA-N -1 3 389.293 3.989 20 0 GHADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cccc(Br)c1Cl ZINC000416499166 839323975 /nfs/dbraw/zinc/32/39/75/839323975.db2.gz AHUHFWDGDAQKFY-UHFFFAOYSA-N -1 3 388.661 3.816 20 0 GHADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000055589410 839369438 /nfs/dbraw/zinc/36/94/38/839369438.db2.gz ZJJNDFBTVNVUGK-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000549241418 839495644 /nfs/dbraw/zinc/49/56/44/839495644.db2.gz PJMQGWSMAFWZTL-GHMZBOCLSA-N -1 3 383.407 3.717 20 0 GHADHM O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001167417063 839761312 /nfs/dbraw/zinc/76/13/12/839761312.db2.gz SCUOBVQMEYOHTP-HNNXBMFYSA-N -1 3 392.308 3.845 20 0 GHADHM C[C@H](SCC(=O)NCC1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000056229918 839885012 /nfs/dbraw/zinc/88/50/12/839885012.db2.gz WIWSJSUSDMTAQC-JTQLQIEISA-N -1 3 389.502 3.565 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](OC(C)C)c3ccccc3)cc2)n1 ZINC000432889397 844495360 /nfs/dbraw/zinc/49/53/60/844495360.db2.gz NGSRIGSCAQLOGW-HXUWFJFHSA-N -1 3 377.444 3.850 20 0 GHADHM CCCCCOc1ccc([C@H](C)NC(=O)NCc2ncccc2[O-])cc1OC ZINC000471611321 840040647 /nfs/dbraw/zinc/04/06/47/840040647.db2.gz CGSXVZZGMBPTFT-HNNXBMFYSA-N -1 3 387.480 3.925 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1Cl ZINC000047031919 840130933 /nfs/dbraw/zinc/13/09/33/840130933.db2.gz YSYOCPKMAFLEMK-CYBMUJFWSA-N -1 3 389.304 3.702 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417002649 840359018 /nfs/dbraw/zinc/35/90/18/840359018.db2.gz AWHFTVGTWNWQJG-AWEZNQCLSA-N -1 3 380.492 3.852 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc(OC)c1[O-] ZINC000364009314 840416422 /nfs/dbraw/zinc/41/64/22/840416422.db2.gz CXYDYACVSFVKGU-OAHLLOKOSA-N -1 3 382.416 3.918 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000500421167 840447783 /nfs/dbraw/zinc/44/77/83/840447783.db2.gz FRWCKTWJMINIRI-UHFFFAOYSA-N -1 3 376.859 3.705 20 0 GHADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cs1 ZINC000500425314 840472276 /nfs/dbraw/zinc/47/22/76/840472276.db2.gz XSKIVRQCCMPRDT-UHFFFAOYSA-N -1 3 393.559 3.911 20 0 GHADHM O=c1cc(C[S@](=O)Cc2csc(CCc3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000417144532 840501734 /nfs/dbraw/zinc/50/17/34/840501734.db2.gz IGQLKQKGIVHEDM-MHZLTWQESA-N -1 3 399.541 3.750 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccncc3)n2CC(F)(F)F)n1 ZINC000155945127 840512798 /nfs/dbraw/zinc/51/27/98/840512798.db2.gz WNVKLUDTGYNMAQ-JTQLQIEISA-N -1 3 396.398 3.560 20 0 GHADHM O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000511750405 840629241 /nfs/dbraw/zinc/62/92/41/840629241.db2.gz GLQYELBPKKCLLS-QGZVFWFLSA-N -1 3 398.340 3.757 20 0 GHADHM CC(C)(C)CC(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000056442762 840656980 /nfs/dbraw/zinc/65/69/80/840656980.db2.gz DNAOTRYWVDQBQM-UHFFFAOYSA-N -1 3 395.500 3.899 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(C)C)nc2C)cc1OC ZINC000549910318 844563284 /nfs/dbraw/zinc/56/32/84/844563284.db2.gz UTSQGLNSUGKINE-UHFFFAOYSA-N -1 3 391.493 3.536 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)s1 ZINC000660193766 840741952 /nfs/dbraw/zinc/74/19/52/840741952.db2.gz LWMULHDUONGVEY-UHFFFAOYSA-N -1 3 378.441 3.938 20 0 GHADHM COc1cc(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000180970578 844572656 /nfs/dbraw/zinc/57/26/56/844572656.db2.gz WHMWTGZWOYLGRJ-LLVKDONJSA-N -1 3 383.366 3.789 20 0 GHADHM Cn1ccc2c1cccc2C(=O)Nc1cc(I)ccc1[O-] ZINC000610485933 840858714 /nfs/dbraw/zinc/85/87/14/840858714.db2.gz ITPQMMOJOUNSMW-UHFFFAOYSA-N -1 3 392.196 3.741 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@H]1Cc2ccccc2S1 ZINC000610485684 840863459 /nfs/dbraw/zinc/86/34/59/840863459.db2.gz YWEXBXPUEOFZJZ-CQSZACIVSA-N -1 3 397.237 3.652 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)c1nccs1 ZINC000651567152 840931453 /nfs/dbraw/zinc/93/14/53/840931453.db2.gz WQRUZFMKPHYNLU-MRVPVSSYSA-N -1 3 381.342 3.705 20 0 GHADHM COCCOCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000417572942 841010289 /nfs/dbraw/zinc/01/02/89/841010289.db2.gz PQTZJYSHCRBFGL-LJQANCHMSA-N -1 3 377.868 3.727 20 0 GHADHM C[S@](=O)c1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000417587636 841035390 /nfs/dbraw/zinc/03/53/90/841035390.db2.gz ODLRANWCNAVEHH-QMTYFTJSSA-N -1 3 385.407 3.748 20 0 GHADHM CCc1nn(C)c(CC)c1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417594702 841042292 /nfs/dbraw/zinc/04/22/92/841042292.db2.gz WVXDBQKHIHXAAO-MRXNPFEDSA-N -1 3 383.414 3.869 20 0 GHADHM Cc1cccnc1C(C)(C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000581317826 841062929 /nfs/dbraw/zinc/06/29/29/841062929.db2.gz JDDBPWJIQAUBMW-UHFFFAOYSA-N -1 3 391.475 3.960 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000188387825 841081463 /nfs/dbraw/zinc/08/14/63/841081463.db2.gz CZJLEVTVPVVJHV-HGZMWJMZSA-N -1 3 383.245 3.865 20 0 GHADHM Cc1cc(Br)c(CNCCc2cccc(C(=O)[O-])n2)cc1Cl ZINC000417637951 841088036 /nfs/dbraw/zinc/08/80/36/841088036.db2.gz NXMPSMYOTCHAKH-UHFFFAOYSA-N -1 3 383.673 3.836 20 0 GHADHM COc1ccc(NC(=O)Cc2nc(=O)c3c4ccccc4sc3[n-]2)cc1OC ZINC000614114925 844613805 /nfs/dbraw/zinc/61/38/05/844613805.db2.gz ITMDBDRGEBSMGJ-UHFFFAOYSA-N -1 3 395.440 3.749 20 0 GHADHM COc1ccc(C2(NCc3cccc([O-])c3Br)CCOCC2)cc1 ZINC000656500415 841182404 /nfs/dbraw/zinc/18/24/04/841182404.db2.gz OTCIWNUWDQLLED-UHFFFAOYSA-N -1 3 392.293 3.959 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1Cl ZINC000156190280 841277007 /nfs/dbraw/zinc/27/70/07/841277007.db2.gz 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C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccccc1Cl ZINC000011810585 841672954 /nfs/dbraw/zinc/67/29/54/841672954.db2.gz XVWAXDUIFOWGJC-MRVPVSSYSA-N -1 3 375.639 3.837 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2ccc(Cl)cc2Br)c(=O)[n-]1 ZINC000733820356 863183150 /nfs/dbraw/zinc/18/31/50/863183150.db2.gz OVDYMPXFWINZHO-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000661441422 841746860 /nfs/dbraw/zinc/74/68/60/841746860.db2.gz CQYPEPWXQOQROI-AWEZNQCLSA-N -1 3 377.847 3.510 20 0 GHADHM CCCc1c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cnn1-c1ccccc1C ZINC000430620045 841817877 /nfs/dbraw/zinc/81/78/77/841817877.db2.gz AXRSJMZRGXHYCR-UHFFFAOYSA-N -1 3 386.459 3.593 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1cccc2ncccc21 ZINC000157835443 841837366 /nfs/dbraw/zinc/83/73/66/841837366.db2.gz OCMSQTAASJRBAV-UHFFFAOYSA-N -1 3 385.514 3.589 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)c1c(C)noc1C ZINC000119251151 841884702 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CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3c4sccc4OC(C)(C)[C@@H]3O)nc2)n1 ZINC000582407083 847148632 /nfs/dbraw/zinc/14/86/32/847148632.db2.gz AKKBDUHBBFPMAY-FUHWJXTLSA-N -1 3 398.488 3.553 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000273003879 847226192 /nfs/dbraw/zinc/22/61/92/847226192.db2.gz PAHBZKODXFYEDQ-GFCCVEGCSA-N -1 3 387.509 3.547 20 0 GHADHM Cc1noc([C@@H]2CCCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n1 ZINC000582436365 847230262 /nfs/dbraw/zinc/23/02/62/847230262.db2.gz NCGSFQCWJZHRSJ-KRWDZBQOSA-N -1 3 394.435 3.608 20 0 GHADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873266 847242673 /nfs/dbraw/zinc/24/26/73/847242673.db2.gz UUYCFFASGAHJML-UHFFFAOYSA-N -1 3 394.393 3.538 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000273281994 847292370 /nfs/dbraw/zinc/29/23/70/847292370.db2.gz ITNGNTQLNVSRJM-NSHDSACASA-N -1 3 397.456 3.762 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1OC(F)F ZINC000420689884 847390829 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GHADHM CC(C)c1ccc([C@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000502254169 847658179 /nfs/dbraw/zinc/65/81/79/847658179.db2.gz HSDAVKOWELSYJU-LJQANCHMSA-N -1 3 389.521 3.704 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3c(cc2OC)C[C@H](C)O3)cc1 ZINC000582594985 847710357 /nfs/dbraw/zinc/71/03/57/847710357.db2.gz FOMUNSGQCQDALO-LIRRHRJNSA-N -1 3 385.460 3.723 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)COc3c(F)cccc3F)nc2)n1 ZINC000664322124 847720167 /nfs/dbraw/zinc/72/01/67/847720167.db2.gz LLNRJENFTYJFEV-GFCCVEGCSA-N -1 3 386.402 3.964 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1 ZINC000421148027 847811943 /nfs/dbraw/zinc/81/19/43/847811943.db2.gz GLDISYVQMAGLDB-IBGZPJMESA-N -1 3 386.473 3.649 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3N3CCCCC3)nc21 ZINC000503591293 847818246 /nfs/dbraw/zinc/81/82/46/847818246.db2.gz QVTOOASRADIJPF-UHFFFAOYSA-N -1 3 378.432 3.592 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccco1 ZINC000503802216 847952381 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861991597 /nfs/dbraw/zinc/99/15/97/861991597.db2.gz SWTGFIFILNVPLJ-UHFFFAOYSA-N -1 3 376.460 3.844 20 0 GHADHM O=C1CCCc2ccc(S(=O)(=O)[N-][C@@H](C3CCCC3)C(F)(F)F)cc21 ZINC000583386042 849764020 /nfs/dbraw/zinc/76/40/20/849764020.db2.gz FHAAJFZXSYZJML-INIZCTEOSA-N -1 3 375.412 3.605 20 0 GHADHM Cc1ccc2c(c1)CN(C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000664470544 850084302 /nfs/dbraw/zinc/08/43/02/850084302.db2.gz CUSIGOSIDVSNTI-UHFFFAOYSA-N -1 3 375.266 3.731 20 0 GHADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c2ccccc21 ZINC000510019033 850168101 /nfs/dbraw/zinc/16/81/01/850168101.db2.gz LQRKVHDUZWNFJP-CYBMUJFWSA-N -1 3 389.782 3.965 20 0 GHADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435225046 850242681 /nfs/dbraw/zinc/24/26/81/850242681.db2.gz HKGSRMNGHAZINY-RYUDHWBXSA-N -1 3 396.347 3.931 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc(F)ccc1Br ZINC000435226040 850243717 /nfs/dbraw/zinc/24/37/17/850243717.db2.gz JXNWXVGTZZNYRW-XOKHGSTOSA-N -1 3 396.281 3.595 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000424261300 850322230 /nfs/dbraw/zinc/32/22/30/850322230.db2.gz OXNUBWFDRFVFSL-VXKWHMMOSA-N -1 3 394.515 3.806 20 0 GHADHM O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514872871 850416838 /nfs/dbraw/zinc/41/68/38/850416838.db2.gz VCXSGNOWTDYCID-INIZCTEOSA-N -1 3 393.365 3.839 20 0 GHADHM CC[C@](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000908942217 850481855 /nfs/dbraw/zinc/48/18/55/850481855.db2.gz FNCQWOUOULQMFD-FDDCHVKYSA-N -1 3 398.478 3.544 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)s1 ZINC000487139753 850485023 /nfs/dbraw/zinc/48/50/23/850485023.db2.gz WFKFBNDDLKRSGL-YPMHNXCESA-N -1 3 396.372 3.549 20 0 GHADHM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000504979330 850499786 /nfs/dbraw/zinc/49/97/86/850499786.db2.gz NLKFXNWTECCUOC-UHFFFAOYSA-N -1 3 397.493 3.731 20 0 GHADHM CCC(=O)N1CCCC[C@H]1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000435473184 850552445 /nfs/dbraw/zinc/55/24/45/850552445.db2.gz ZNLGLWHZYYDUHH-HNNXBMFYSA-N -1 3 395.290 3.535 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)c(C)c1C ZINC000435476231 850578870 /nfs/dbraw/zinc/57/88/70/850578870.db2.gz CKNYACURJSCUSP-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM CC[C@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000424666268 850612414 /nfs/dbraw/zinc/61/24/14/850612414.db2.gz NAPKUIUOYORHHO-GOSISDBHSA-N -1 3 394.515 3.690 20 0 GHADHM CCCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1ccc(C)cc1 ZINC000505129128 850653899 /nfs/dbraw/zinc/65/38/99/850653899.db2.gz KDRMWWDEMXLSMJ-UHFFFAOYSA-N -1 3 378.411 3.796 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000487300941 850664375 /nfs/dbraw/zinc/66/43/75/850664375.db2.gz SEGRYGGFXOGULK-UHFFFAOYSA-N -1 3 397.880 3.781 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cccc(Cl)c1F ZINC000435603034 850690000 /nfs/dbraw/zinc/69/00/00/850690000.db2.gz GMYARPZIZZFPRA-PWSUYJOCSA-N -1 3 391.798 3.915 20 0 GHADHM CN(C)Cc1cccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000909757587 850777120 /nfs/dbraw/zinc/77/71/20/850777120.db2.gz YZZGQCHZBHWXGW-LJQANCHMSA-N -1 3 395.286 3.785 20 0 GHADHM O=C(CC1(O)CCCC1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000440141429 850827891 /nfs/dbraw/zinc/82/78/91/850827891.db2.gz ALSFUFNOJQLDID-UHFFFAOYSA-N -1 3 398.688 3.548 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cc(OC)c1[O-] ZINC000513965360 851080004 /nfs/dbraw/zinc/08/00/04/851080004.db2.gz XPUCKJGLNXNKFQ-YWZLYKJASA-N -1 3 385.460 3.628 20 0 GHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)C(F)(F)F ZINC000443925221 862205049 /nfs/dbraw/zinc/20/50/49/862205049.db2.gz CODPGCQEIQOYNB-XHDPSFHLSA-N -1 3 377.432 3.873 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)ccc1F ZINC001269794287 851180068 /nfs/dbraw/zinc/18/00/68/851180068.db2.gz FYQYHQYGYJMROR-NVXWUHKLSA-N -1 3 398.544 3.847 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OC)cc3F)c2)n1 ZINC000436077936 851193135 /nfs/dbraw/zinc/19/31/35/851193135.db2.gz WJQZBTSMGKWEGV-UHFFFAOYSA-N -1 3 381.407 3.741 20 0 GHADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000132691169 862226293 /nfs/dbraw/zinc/22/62/93/862226293.db2.gz UUUDXHHUDHCLSW-UHFFFAOYSA-N -1 3 393.340 3.974 20 0 GHADHM O=c1[n-]c(CN2c3ccccc3CC[C@@H]2CCO)nc2c3ccccc3oc21 ZINC000425490132 851315803 /nfs/dbraw/zinc/31/58/03/851315803.db2.gz MOKXYGGPMDASPC-OAHLLOKOSA-N -1 3 375.428 3.785 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(C)cc1Br ZINC000522650957 862238635 /nfs/dbraw/zinc/23/86/35/862238635.db2.gz QVGSZSJQTUHRBY-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C(=O)[O-])c1 ZINC000910966141 851487041 /nfs/dbraw/zinc/48/70/41/851487041.db2.gz HZLVVSSZIKPVQU-GOSISDBHSA-N -1 3 384.451 3.789 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000509988205 851517067 /nfs/dbraw/zinc/51/70/67/851517067.db2.gz WHNKIKTTXFPQPH-QWRGUYRKSA-N -1 3 385.835 3.842 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c(=O)[n-]1 ZINC000111001294 851525884 /nfs/dbraw/zinc/52/58/84/851525884.db2.gz YYEZBSGCAIPTDN-UHFFFAOYSA-N -1 3 397.862 3.800 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1cc2nccnc2cc1F ZINC000473672463 851571892 /nfs/dbraw/zinc/57/18/92/851571892.db2.gz AJPAYOVMEAPYQB-UHFFFAOYSA-N -1 3 384.374 3.960 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)OCc3ccccc3)c2)n1 ZINC000049304640 851648504 /nfs/dbraw/zinc/64/85/04/851648504.db2.gz GCIFXKBLXFALDA-HNNXBMFYSA-N -1 3 377.444 3.543 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3cccc(F)c3)c2)n1 ZINC000049304753 851648623 /nfs/dbraw/zinc/64/86/23/851648623.db2.gz ZJYWEZPMDKOBOG-CYBMUJFWSA-N -1 3 381.407 3.544 20 0 GHADHM CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226377 851651679 /nfs/dbraw/zinc/65/16/79/851651679.db2.gz DAFBUSKJNYQLFW-QFIPXVFZSA-N -1 3 394.515 3.831 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000911253315 851662149 /nfs/dbraw/zinc/66/21/49/851662149.db2.gz SOBSULXXGDQQIN-CRAIPNDOSA-N -1 3 384.451 3.822 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000911253316 851662244 /nfs/dbraw/zinc/66/22/44/851662244.db2.gz SOBSULXXGDQQIN-MAUKXSAKSA-N -1 3 384.451 3.822 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000911288821 851678204 /nfs/dbraw/zinc/67/82/04/851678204.db2.gz UERQAMHCMOLPEV-KRWDZBQOSA-N -1 3 394.471 3.987 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000488683647 851693657 /nfs/dbraw/zinc/69/36/57/851693657.db2.gz JDFKKRUXNOUSFH-GFCCVEGCSA-N -1 3 396.668 3.676 20 0 GHADHM O=C([O-])[C@@H]1CCCN(CC(=O)N(Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000911340338 851700062 /nfs/dbraw/zinc/70/00/62/851700062.db2.gz YQCQSNXPUYMTQA-HXUWFJFHSA-N -1 3 394.515 3.908 20 0 GHADHM O=C([O-])c1ccc(Cl)c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000911376835 851713995 /nfs/dbraw/zinc/71/39/95/851713995.db2.gz NDADYLWOQGHHHZ-UHFFFAOYSA-N -1 3 396.940 3.520 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1cc(C(F)(F)F)ccc1F ZINC000488758772 851744386 /nfs/dbraw/zinc/74/43/86/851744386.db2.gz LCSCGMAITYRZQE-UHFFFAOYSA-N -1 3 399.312 3.924 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000488819036 851797072 /nfs/dbraw/zinc/79/70/72/851797072.db2.gz CYGFJFHHZCDJLJ-CQSZACIVSA-N -1 3 377.359 3.511 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1Cl ZINC000488920681 851863041 /nfs/dbraw/zinc/86/30/41/851863041.db2.gz REHGRXYWZVBUJE-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM CCCCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436495602 851970169 /nfs/dbraw/zinc/97/01/69/851970169.db2.gz NWYJFUHPAFKDHU-LJQANCHMSA-N -1 3 382.460 3.814 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2n1CC(F)(F)F ZINC000425943645 851991078 /nfs/dbraw/zinc/99/10/78/851991078.db2.gz JGADMEYLDQMRLO-UHFFFAOYSA-N -1 3 386.337 3.636 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2n1CC(F)(F)F ZINC000425943645 851991087 /nfs/dbraw/zinc/99/10/87/851991087.db2.gz JGADMEYLDQMRLO-UHFFFAOYSA-N -1 3 386.337 3.636 20 0 GHADHM COc1ccc(Cl)cc1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000517463893 851998670 /nfs/dbraw/zinc/99/86/70/851998670.db2.gz ZFNMAYOAZLLUBH-UHFFFAOYSA-N -1 3 383.901 3.563 20 0 GHADHM COc1ccc(Cl)cc1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000517463893 851998679 /nfs/dbraw/zinc/99/86/79/851998679.db2.gz ZFNMAYOAZLLUBH-UHFFFAOYSA-N -1 3 383.901 3.563 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc2OC)cc1 ZINC000436522104 852012851 /nfs/dbraw/zinc/01/28/51/852012851.db2.gz RSBRQHOTRIKZOD-OAQYLSRUSA-N -1 3 379.412 3.634 20 0 GHADHM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436525142 852016005 /nfs/dbraw/zinc/01/60/05/852016005.db2.gz MSBLNLQIDAEHCI-HNNXBMFYSA-N -1 3 390.505 3.561 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436532348 852024201 /nfs/dbraw/zinc/02/42/01/852024201.db2.gz XMWHBTFSJNTRMI-OZOXKJRCSA-N -1 3 380.488 3.900 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C ZINC000436554446 852042979 /nfs/dbraw/zinc/04/29/79/852042979.db2.gz HZXIYHCPLKEPRJ-UHFFFAOYSA-N -1 3 388.489 3.593 20 0 GHADHM COc1ccc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)c([O-])c1 ZINC000436556521 852045428 /nfs/dbraw/zinc/04/54/28/852045428.db2.gz QMAWTJYHVHWFNV-UHFFFAOYSA-N -1 3 383.473 3.672 20 0 GHADHM CCC[C@@H](NC(=O)c1ccccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436542661 852055415 /nfs/dbraw/zinc/05/54/15/852055415.db2.gz IEDUDOZUCPHIGF-LJQANCHMSA-N -1 3 381.476 3.530 20 0 GHADHM Cc1cnc(N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)s1 ZINC000436543016 852057034 /nfs/dbraw/zinc/05/70/34/852057034.db2.gz CDNKJQBNIMBPPG-UHFFFAOYSA-N -1 3 393.512 3.710 20 0 GHADHM CCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000436557218 852061160 /nfs/dbraw/zinc/06/11/60/852061160.db2.gz MZEMNDVRGYBXKB-FQEVSTJZSA-N -1 3 380.488 3.950 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c([O-])c1C ZINC000436558575 852062033 /nfs/dbraw/zinc/06/20/33/852062033.db2.gz QFNWTQXZIBDLMA-GJZGRUSLSA-N -1 3 382.460 3.511 20 0 GHADHM CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c([O-])c1 ZINC000436570127 852073440 /nfs/dbraw/zinc/07/34/40/852073440.db2.gz MXNCPSSJTKAQNB-KRWDZBQOSA-N -1 3 388.464 3.809 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c([O-])c1 ZINC000436595055 852080467 /nfs/dbraw/zinc/08/04/67/852080467.db2.gz KDZFZNPVCVZZAE-VYENPZKTSA-N -1 3 378.472 3.525 20 0 GHADHM O=C(NCc1ccnc(-n2cccn2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436595809 852082484 /nfs/dbraw/zinc/08/24/84/852082484.db2.gz JWFRXBMOXVNJOY-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(C)c3[O-])cc2F)ccn1 ZINC000436598798 852085787 /nfs/dbraw/zinc/08/57/87/852085787.db2.gz AUVKUOCYALIJDQ-UHFFFAOYSA-N -1 3 395.390 3.639 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000436589747 852097396 /nfs/dbraw/zinc/09/73/96/852097396.db2.gz LHEBAAOBKWFVQL-UHFFFAOYSA-N -1 3 385.807 3.606 20 0 GHADHM NC(=O)Nc1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436613443 852113511 /nfs/dbraw/zinc/11/35/11/852113511.db2.gz VALUNQRIUOBQER-UHFFFAOYSA-N -1 3 389.455 3.598 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ccc(O)cc2)CC1 ZINC000436614169 852115730 /nfs/dbraw/zinc/11/57/30/852115730.db2.gz ZNBHLDXOZSSZKQ-UHFFFAOYSA-N -1 3 388.467 3.651 20 0 GHADHM CC(C)Cn1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C(C)C ZINC000436627729 852122101 /nfs/dbraw/zinc/12/21/01/852122101.db2.gz YBPWFBJXDYSZBM-SFHVURJKSA-N -1 3 398.507 3.611 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCCC[C@H]3C)cs2)c1 ZINC000436629340 852125135 /nfs/dbraw/zinc/12/51/35/852125135.db2.gz VFSORMGKVRGVTA-CJNGLKHVSA-N -1 3 387.505 3.647 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H](C)CC3)cs2)c1 ZINC000436634031 852128346 /nfs/dbraw/zinc/12/83/46/852128346.db2.gz MXFNCVCUCQTFKO-ZDUSSCGKSA-N -1 3 387.505 3.601 20 0 GHADHM C[C@@H](c1cccc(Br)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436642962 852150729 /nfs/dbraw/zinc/15/07/29/852150729.db2.gz LCMWFXRVLCVFFG-AWEZNQCLSA-N -1 3 389.293 3.674 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCc3ccc4c(c3)OCO4)nc2)n1 ZINC000517602778 852160999 /nfs/dbraw/zinc/16/09/99/852160999.db2.gz RSISZICFNIIKCK-CQSZACIVSA-N -1 3 392.459 3.969 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCC1 ZINC000436659964 852177619 /nfs/dbraw/zinc/17/76/19/852177619.db2.gz BLXUFXUNIGNRMR-UHFFFAOYSA-N -1 3 385.460 3.660 20 0 GHADHM COc1ccc(Br)c2sc([N-]C(=O)c3nnc(C4CC4)o3)nc21 ZINC000912315028 852202305 /nfs/dbraw/zinc/20/23/05/852202305.db2.gz OFBJDBQNPDXHPP-UHFFFAOYSA-N -1 3 395.238 3.580 20 0 GHADHM CC(C)n1cc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2n1 ZINC000436714624 852237038 /nfs/dbraw/zinc/23/70/38/852237038.db2.gz GKOFBGBOWNLCHK-LJQANCHMSA-N -1 3 392.459 3.566 20 0 GHADHM O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cc2c(cc1[O-])CCCC2 ZINC000436715884 852238020 /nfs/dbraw/zinc/23/80/20/852238020.db2.gz ZBXZTPOHGWEOJL-UHFFFAOYSA-N -1 3 388.414 3.638 20 0 GHADHM C[C@@H](c1ccc(OC(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436730976 852270316 /nfs/dbraw/zinc/27/03/16/852270316.db2.gz JHVKAQHCCOWIPX-AWEZNQCLSA-N -1 3 376.403 3.513 20 0 GHADHM CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436758133 852276254 /nfs/dbraw/zinc/27/62/54/852276254.db2.gz LMVGVMFZPNNQED-UHFFFAOYSA-N -1 3 396.468 3.607 20 0 GHADHM COc1cc(Br)c(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000426699751 852282935 /nfs/dbraw/zinc/28/29/35/852282935.db2.gz LXXDMCQSECPZJY-NEPJUHHUSA-N -1 3 388.302 3.835 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Br)cc2ccccc21 ZINC000473849755 852285450 /nfs/dbraw/zinc/28/54/50/852285450.db2.gz MCEURSKXANMKFH-INIZCTEOSA-N -1 3 386.249 3.851 20 0 GHADHM Cc1ccc(-c2nc(CNCCc3ccc(OCC(=O)[O-])cc3)cs2)cc1 ZINC000426688506 852292116 /nfs/dbraw/zinc/29/21/16/852292116.db2.gz QQELIFUBDKYYDZ-UHFFFAOYSA-N -1 3 382.485 3.914 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cn(Cc2ccccc2)nn1 ZINC000516211649 852294862 /nfs/dbraw/zinc/29/48/62/852294862.db2.gz WVIYOXJTWYNERC-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM Cc1cc(Cl)ccc1O[C@@H](C(=O)NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000516212329 852297128 /nfs/dbraw/zinc/29/71/28/852297128.db2.gz ZBXUXBHJMUECLK-LJQANCHMSA-N -1 3 397.862 3.889 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c([O-])c1 ZINC000436781716 852333620 /nfs/dbraw/zinc/33/36/20/852333620.db2.gz FNZUKQHRPMXHHF-UHFFFAOYSA-N -1 3 376.412 3.970 20 0 GHADHM Cn1ccnc1COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436790249 852344232 /nfs/dbraw/zinc/34/42/32/852344232.db2.gz GIMJITAVYWTMPZ-UHFFFAOYSA-N -1 3 377.444 3.836 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1 ZINC000426764145 852348394 /nfs/dbraw/zinc/34/83/94/852348394.db2.gz GXTRJTHMPNZQPW-AWEZNQCLSA-N -1 3 386.192 3.966 20 0 GHADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1ccccc1Br ZINC000426764822 852350433 /nfs/dbraw/zinc/35/04/33/852350433.db2.gz YKOSDJVSMXADAV-KRWDZBQOSA-N -1 3 394.334 3.968 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c([O-])c1C ZINC000436817469 852358639 /nfs/dbraw/zinc/35/86/39/852358639.db2.gz HSPMVHQVXOIGKE-UHFFFAOYSA-N -1 3 391.427 3.674 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1[O-] ZINC000436811543 852371743 /nfs/dbraw/zinc/37/17/43/852371743.db2.gz VMQMOAWONOCWFO-UHFFFAOYSA-N -1 3 378.432 3.638 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000436828959 852377325 /nfs/dbraw/zinc/37/73/25/852377325.db2.gz KNILGZPZXWTPNG-RTWAWAEBSA-N -1 3 392.499 3.924 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489480829 852383178 /nfs/dbraw/zinc/38/31/78/852383178.db2.gz MJOOEXWTHQYJIQ-CYBMUJFWSA-N -1 3 398.403 3.785 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c([O-])c1 ZINC000436823316 852392818 /nfs/dbraw/zinc/39/28/18/852392818.db2.gz AEVWXQSEXAQBFQ-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)CN(C)Cc1c(F)ccc([O-])c1F ZINC000506980350 852395269 /nfs/dbraw/zinc/39/52/69/852395269.db2.gz XNGQPNIZHIGOKC-UHFFFAOYSA-N -1 3 399.235 3.812 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000436827260 852395317 /nfs/dbraw/zinc/39/53/17/852395317.db2.gz CXVBSHIBVZALET-INIZCTEOSA-N -1 3 384.476 3.689 20 0 GHADHM CCN(CC(C)(C)C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436839889 852404966 /nfs/dbraw/zinc/40/49/66/852404966.db2.gz QRJODLLUHGJMHM-UHFFFAOYSA-N -1 3 389.521 3.847 20 0 GHADHM COc1cc(C)c(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426798187 852407976 /nfs/dbraw/zinc/40/79/76/852407976.db2.gz IMSUWBJDVHJXLA-KRWDZBQOSA-N -1 3 394.265 3.690 20 0 GHADHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1OC ZINC000426800910 852411137 /nfs/dbraw/zinc/41/11/37/852411137.db2.gz RAIPJZDBQWGHFL-GOSISDBHSA-N -1 3 393.867 3.980 20 0 GHADHM O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1coc(-c2ccccc2)n1 ZINC000426816376 852428050 /nfs/dbraw/zinc/42/80/50/852428050.db2.gz OOOUGMSBVONFAN-KRWDZBQOSA-N -1 3 388.370 3.729 20 0 GHADHM NC(=O)Nc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1F ZINC000436886914 852458602 /nfs/dbraw/zinc/45/86/02/852458602.db2.gz VCEAWOKLAKBTTN-UHFFFAOYSA-N -1 3 395.390 3.853 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436892163 852464851 /nfs/dbraw/zinc/46/48/51/852464851.db2.gz IDFPFQXGBGZYPJ-ADLMAVQZSA-N -1 3 376.840 3.510 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)cc(OC)c1[O-] ZINC000436907101 852472304 /nfs/dbraw/zinc/47/23/04/852472304.db2.gz DHYJMQCAZQCSEY-BBATYDOGSA-N -1 3 379.840 3.569 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436915246 852492691 /nfs/dbraw/zinc/49/26/91/852492691.db2.gz PKULGYRTKGCDQS-LLGFUMIMSA-N -1 3 380.488 3.806 20 0 GHADHM Cc1cc2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc2cc1F ZINC000436915778 852495119 /nfs/dbraw/zinc/49/51/19/852495119.db2.gz QCRXERLOBQJPKE-OAHLLOKOSA-N -1 3 399.447 3.693 20 0 GHADHM CCC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000438514126 852499029 /nfs/dbraw/zinc/49/90/29/852499029.db2.gz KHWULCDTIODONZ-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM O=C(c1cscc1-c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918820 852499574 /nfs/dbraw/zinc/49/95/74/852499574.db2.gz KLSKQCCWUJRAHF-UHFFFAOYSA-N -1 3 392.480 3.719 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(F)c(Br)c3)no2)c1 ZINC000436919994 852500434 /nfs/dbraw/zinc/50/04/34/852500434.db2.gz FGXJLBBEMOIZOQ-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM NC(=O)c1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)co1 ZINC000436950269 852512980 /nfs/dbraw/zinc/51/29/80/852512980.db2.gz BLYKGELJZBITJW-UHFFFAOYSA-N -1 3 379.397 3.613 20 0 GHADHM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cnn1-c1cc(C)ccc1C ZINC000506267800 852513458 /nfs/dbraw/zinc/51/34/58/852513458.db2.gz JXNFOCUBUWSTDH-UHFFFAOYSA-N -1 3 377.370 3.924 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489695650 852531060 /nfs/dbraw/zinc/53/10/60/852531060.db2.gz DHHXAKLMVFUGLC-RYUDHWBXSA-N -1 3 399.406 3.596 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436960687 852531517 /nfs/dbraw/zinc/53/15/17/852531517.db2.gz HUKUCUHOIGFJOV-LJQANCHMSA-N -1 3 384.451 3.713 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000436958596 852549943 /nfs/dbraw/zinc/54/99/43/852549943.db2.gz BNBLTZGBZSDYBW-DNVCBOLYSA-N -1 3 384.451 3.569 20 0 GHADHM COc1ccc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436973458 852558741 /nfs/dbraw/zinc/55/87/41/852558741.db2.gz XPBAJMLCGUVVBE-COXVUDFISA-N -1 3 375.465 3.516 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Cc5nnn[n-]5)cc4)cc3c2C1 ZINC000427070409 852690194 /nfs/dbraw/zinc/69/01/94/852690194.db2.gz UQLWOSVOTMWVBL-CYBMUJFWSA-N -1 3 386.459 3.649 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Cc5nn[n-]n5)cc4)cc3c2C1 ZINC000427070409 852690196 /nfs/dbraw/zinc/69/01/96/852690196.db2.gz UQLWOSVOTMWVBL-CYBMUJFWSA-N -1 3 386.459 3.649 20 0 GHADHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427071603 852692878 /nfs/dbraw/zinc/69/28/78/852692878.db2.gz HRVLSPITUKTCDA-UHFFFAOYSA-N -1 3 385.427 3.545 20 0 GHADHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427071603 852692882 /nfs/dbraw/zinc/69/28/82/852692882.db2.gz HRVLSPITUKTCDA-UHFFFAOYSA-N -1 3 385.427 3.545 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cnc(-c2ccsc2)s1 ZINC000180878825 862386248 /nfs/dbraw/zinc/38/62/48/862386248.db2.gz MRZIVDDINBBTOA-UHFFFAOYSA-N -1 3 385.449 3.972 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c(=O)[n-]1 ZINC000437110450 852746527 /nfs/dbraw/zinc/74/65/27/852746527.db2.gz WJTKOYYAGRJSCX-UHFFFAOYSA-N -1 3 377.419 3.737 20 0 GHADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)N(CC(F)(F)F)C1CC1 ZINC000490104263 852755836 /nfs/dbraw/zinc/75/58/36/852755836.db2.gz SLUBACXHXYWSCJ-UHFFFAOYSA-N -1 3 381.379 3.646 20 0 GHADHM O=S(=O)([N-]CC1CCC1)c1csc(-c2ccc(Br)cc2)n1 ZINC000507412695 852885339 /nfs/dbraw/zinc/88/53/39/852885339.db2.gz HNAZSRZDMJEJOH-UHFFFAOYSA-N -1 3 387.324 3.651 20 0 GHADHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000427252016 852905898 /nfs/dbraw/zinc/90/58/98/852905898.db2.gz ZGTZMGAOLHQYPY-ZSDNHXBWSA-N -1 3 398.377 3.660 20 0 GHADHM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cc(F)c(Br)cc1F ZINC000912992909 852974612 /nfs/dbraw/zinc/97/46/12/852974612.db2.gz ODGDDASIJZGQJO-ZETCQYMHSA-N -1 3 398.207 3.591 20 0 GHADHM CCn1c(CN2CCC[C@@H]2Cc2ccccc2OC)nc2cc(C(=O)[O-])ccc21 ZINC000516776679 853006421 /nfs/dbraw/zinc/00/64/21/853006421.db2.gz CPTCHGITZGVREC-GOSISDBHSA-N -1 3 393.487 3.970 20 0 GHADHM CO[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CCC1 ZINC000664872746 853043014 /nfs/dbraw/zinc/04/30/14/853043014.db2.gz MBHHISNIQKBTIN-LBPRGKRZSA-N -1 3 390.241 3.772 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1OCCc2sccc21 ZINC000490505938 853060792 /nfs/dbraw/zinc/06/07/92/853060792.db2.gz SQCQXBKGYUZQSS-VFZGTOFNSA-N -1 3 375.874 3.521 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCS3)cc2)cc1 ZINC000438893644 853065364 /nfs/dbraw/zinc/06/53/64/853065364.db2.gz HHRWVGJSQPVYHF-QGZVFWFLSA-N -1 3 376.503 3.630 20 0 GHADHM O=C(Nc1ccc(F)cc1)NC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507584197 853070683 /nfs/dbraw/zinc/07/06/83/853070683.db2.gz OVWSJJMBHCTHTE-UHFFFAOYSA-N -1 3 377.847 3.971 20 0 GHADHM CCOC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000664873195 853087735 /nfs/dbraw/zinc/08/77/35/853087735.db2.gz VPVGWQNXSXRTSC-UHFFFAOYSA-N -1 3 390.241 3.700 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000438951177 853123783 /nfs/dbraw/zinc/12/37/83/853123783.db2.gz UOVGHAZTNJVGGO-AWEZNQCLSA-N -1 3 376.400 3.986 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc(OC)c1[O-] ZINC000490612806 853136542 /nfs/dbraw/zinc/13/65/42/853136542.db2.gz WBVGJXNEXHMJJI-LBPRGKRZSA-N -1 3 389.423 3.828 20 0 GHADHM CN(Cc1c(F)ccc([O-])c1F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000507651656 853140224 /nfs/dbraw/zinc/14/02/24/853140224.db2.gz FXHQHDCHPCIPRP-LBPRGKRZSA-N -1 3 391.336 3.561 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CN(C)C)c(Cl)c3)ccc2O1 ZINC000481867681 862432153 /nfs/dbraw/zinc/43/21/53/862432153.db2.gz MRTSUEYFUWHTLH-GFCCVEGCSA-N -1 3 380.897 3.526 20 0 GHADHM CCC[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000518327625 853212258 /nfs/dbraw/zinc/21/22/58/853212258.db2.gz PWUSCKWSZKMVGA-KRWDZBQOSA-N -1 3 390.505 3.979 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1cc2ccccc2o1 ZINC000913302322 853225396 /nfs/dbraw/zinc/22/53/96/853225396.db2.gz VPEJEQWZOLXESO-CHWSQXEVSA-N -1 3 393.399 3.839 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1cc2ccccc2o1 ZINC000913302322 853225404 /nfs/dbraw/zinc/22/54/04/853225404.db2.gz VPEJEQWZOLXESO-CHWSQXEVSA-N -1 3 393.399 3.839 20 0 GHADHM CCn1c(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)nc2ccccc21 ZINC000473868309 853244651 /nfs/dbraw/zinc/24/46/51/853244651.db2.gz XLQMUHTYZOZHHK-UHFFFAOYSA-N -1 3 383.926 3.601 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000439159356 853348307 /nfs/dbraw/zinc/34/83/07/853348307.db2.gz ROUCWMOBABCADU-IINYFYTJSA-N -1 3 396.260 3.686 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@H]1Cc2ccccc21 ZINC000439158857 853348613 /nfs/dbraw/zinc/34/86/13/853348613.db2.gz PZQONINZEKIUBQ-HNNXBMFYSA-N -1 3 386.224 3.679 20 0 GHADHM C[C@@H](CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1ccc(Cl)c(Cl)c1 ZINC000517171094 853481382 /nfs/dbraw/zinc/48/13/82/853481382.db2.gz ADANNTPZPZOZFB-JTQLQIEISA-N -1 3 396.274 3.906 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](F)C3)c2)cc1 ZINC000518552864 853499005 /nfs/dbraw/zinc/49/90/05/853499005.db2.gz QCEJPXMPBQAWTQ-MRXNPFEDSA-N -1 3 390.480 3.678 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cccnc2OCC(F)F)no1 ZINC000519807474 853502927 /nfs/dbraw/zinc/50/29/27/853502927.db2.gz CHXGUVHUBCZEJE-UHFFFAOYSA-N -1 3 398.728 3.820 20 0 GHADHM O=S(=O)([N-]Cc1ccco1)c1csc(-c2cccc(Br)c2)n1 ZINC000518616672 853568344 /nfs/dbraw/zinc/56/83/44/853568344.db2.gz XZQKGUXMPKTYSA-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM Cc1ccc([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000437837747 853598126 /nfs/dbraw/zinc/59/81/26/853598126.db2.gz FICBFFOIAYCIAI-FOIQADDNSA-N -1 3 389.517 3.728 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1c(C)noc1C ZINC000518714243 853661342 /nfs/dbraw/zinc/66/13/42/853661342.db2.gz XADSSWRHABZEGU-ZDUSSCGKSA-N -1 3 377.293 3.898 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)n2cccn2)cc1 ZINC000518704716 853666658 /nfs/dbraw/zinc/66/66/58/853666658.db2.gz ADSBIWARBMKTJJ-INIZCTEOSA-N -1 3 398.488 3.500 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000517348795 853695329 /nfs/dbraw/zinc/69/53/29/853695329.db2.gz TXHFCMJLOOAYKQ-UKRRQHHQSA-N -1 3 389.293 3.720 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891974 853737842 /nfs/dbraw/zinc/73/78/42/853737842.db2.gz WXASQJAJDSHDQJ-UONOGXRCSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891974 853737854 /nfs/dbraw/zinc/73/78/54/853737854.db2.gz WXASQJAJDSHDQJ-UONOGXRCSA-N -1 3 388.258 3.840 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(C(=O)NCc1ccc([O-])c(F)c1)CC2 ZINC000163666120 862515057 /nfs/dbraw/zinc/51/50/57/862515057.db2.gz XPYFWWOCLCEDOE-UHFFFAOYSA-N -1 3 388.439 3.597 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c(C)c1C ZINC000055597813 854019154 /nfs/dbraw/zinc/01/91/54/854019154.db2.gz IGJFOOYWCDIZDI-UHFFFAOYSA-N -1 3 387.505 3.559 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOc2c(F)cccc21 ZINC000188321516 854029672 /nfs/dbraw/zinc/02/96/72/854029672.db2.gz IDRNOJNDQRGTHS-AWEZNQCLSA-N -1 3 395.228 3.617 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(CCCl)cc1 ZINC000055631434 854046691 /nfs/dbraw/zinc/04/66/91/854046691.db2.gz RYMOGWVUCGQWBE-GOSISDBHSA-N -1 3 395.908 3.827 20 0 GHADHM CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000055768569 854110002 /nfs/dbraw/zinc/11/00/02/854110002.db2.gz YLEBFRYOZOIYNF-UHFFFAOYSA-N -1 3 394.468 3.554 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000112576258 854259749 /nfs/dbraw/zinc/25/97/49/854259749.db2.gz XGIUDKYMDHRLMP-UHFFFAOYSA-N -1 3 391.471 3.961 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)(C)CO)sc1Cl ZINC000473956233 854423725 /nfs/dbraw/zinc/42/37/25/854423725.db2.gz LZQZOTCUWVWVKP-AWEZNQCLSA-N -1 3 387.954 3.791 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2nc(-c3ccccc3F)oc2C)n[nH]1 ZINC000156907509 854466328 /nfs/dbraw/zinc/46/63/28/854466328.db2.gz FNCSGCZFPXWSPX-UHFFFAOYSA-N -1 3 393.378 3.835 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCc4cn(C(C)C)nc4C3)nc2)n1 ZINC000481976827 862570044 /nfs/dbraw/zinc/57/00/44/862570044.db2.gz BUKFXVXGWWSFEK-KRWDZBQOSA-N -1 3 378.480 3.553 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000330625793 854712366 /nfs/dbraw/zinc/71/23/66/854712366.db2.gz ICANLSLZLCSHFW-AAEUAGOBSA-N -1 3 385.835 3.841 20 0 GHADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC001212158156 854874568 /nfs/dbraw/zinc/87/45/68/854874568.db2.gz LMLYEQSTUQHNDE-YMTOWFKASA-N -1 3 396.734 3.584 20 0 GHADHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001212396657 855005008 /nfs/dbraw/zinc/00/50/08/855005008.db2.gz COXWPCUCGQIFMI-CHWSQXEVSA-N -1 3 396.734 3.647 20 0 GHADHM CCCCc1ccc2nc(NC(=O)CNC(=O)c3ccc([O-])cc3)sc2c1 ZINC000589684262 855105048 /nfs/dbraw/zinc/10/50/48/855105048.db2.gz HKOOYWYUFDOLNQ-UHFFFAOYSA-N -1 3 383.473 3.713 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)ccc21 ZINC000589681724 855105518 /nfs/dbraw/zinc/10/55/18/855105518.db2.gz GCTXDGGDWBKQEN-UHFFFAOYSA-N -1 3 387.439 3.889 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(CCCc2ccccc2)cc1 ZINC000589694250 855110519 /nfs/dbraw/zinc/11/05/19/855110519.db2.gz RRNGZIYQXKWEKE-UHFFFAOYSA-N -1 3 388.467 3.936 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000589695862 855112598 /nfs/dbraw/zinc/11/25/98/855112598.db2.gz SUYJKSPDFCXNQN-NRFANRHFSA-N -1 3 380.488 3.950 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3C[C@H]3C)ccc2C)c(C)c1 ZINC000589954981 855204212 /nfs/dbraw/zinc/20/42/12/855204212.db2.gz CJKQBNLCKSCRQH-RDTXWAMCSA-N -1 3 386.517 3.859 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c([O-])c1 ZINC000189765048 855211219 /nfs/dbraw/zinc/21/12/19/855211219.db2.gz ZRSHBDJIKBHJSH-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM COCCn1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000190246211 855303101 /nfs/dbraw/zinc/30/31/01/855303101.db2.gz QRLBDSIBNMZDRI-UHFFFAOYSA-N -1 3 394.456 3.764 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Br)c3F)nc21 ZINC000190451863 855335978 /nfs/dbraw/zinc/33/59/78/855335978.db2.gz AUAMTHFLQYPJCU-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000590506991 855440477 /nfs/dbraw/zinc/44/04/77/855440477.db2.gz SWMDJUDRCLADKW-QGZVFWFLSA-N -1 3 398.466 3.890 20 0 GHADHM CC(C)c1ccc(SCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000056409594 855541396 /nfs/dbraw/zinc/54/13/96/855541396.db2.gz PYOHOQKGNYVEKQ-UHFFFAOYSA-N -1 3 378.519 3.912 20 0 GHADHM CCCn1c(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2cc(OC)ccc21 ZINC000520507814 855563110 /nfs/dbraw/zinc/56/31/10/855563110.db2.gz MVMJOFSLDGXUGW-UHFFFAOYSA-N -1 3 390.447 3.801 20 0 GHADHM CCCn1c(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2cc(OC)ccc21 ZINC000520507814 855563119 /nfs/dbraw/zinc/56/31/19/855563119.db2.gz MVMJOFSLDGXUGW-UHFFFAOYSA-N -1 3 390.447 3.801 20 0 GHADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc3c2N1CCC3 ZINC000542728030 855575738 /nfs/dbraw/zinc/57/57/38/855575738.db2.gz JDMCWRWRGOUHQO-UHFFFAOYSA-N -1 3 394.855 3.505 20 0 GHADHM COCc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000417558712 855578063 /nfs/dbraw/zinc/57/80/63/855578063.db2.gz VTQCGXBBIPNUMP-QGZVFWFLSA-N -1 3 378.266 3.901 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(Cl)cc1F ZINC000482111626 862715405 /nfs/dbraw/zinc/71/54/05/862715405.db2.gz DZMKUSAARGBKOU-UHFFFAOYSA-N -1 3 397.635 3.633 20 0 GHADHM CC(C)(C)CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000591237879 855839916 /nfs/dbraw/zinc/83/99/16/855839916.db2.gz HIROKKUIUWDMPL-UHFFFAOYSA-N -1 3 395.500 3.901 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000108467883 855894576 /nfs/dbraw/zinc/89/45/76/855894576.db2.gz CRWGSDPCVIGXKP-UHFFFAOYSA-N -1 3 399.472 3.675 20 0 GHADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000591388615 855941954 /nfs/dbraw/zinc/94/19/54/855941954.db2.gz QTZRPUWPEDHDLO-LBPRGKRZSA-N -1 3 378.897 3.932 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000108639242 855964354 /nfs/dbraw/zinc/96/43/54/855964354.db2.gz RXEFSSVWKPVFPN-UHFFFAOYSA-N -1 3 385.489 3.725 20 0 GHADHM Cc1cc(C2([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)CCOCC2)on1 ZINC000625654639 862743713 /nfs/dbraw/zinc/74/37/13/862743713.db2.gz XRVIPPYJAKGFML-UHFFFAOYSA-N -1 3 398.484 3.634 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2occc2COc2ccccc2)[nH][n-]1 ZINC000591448766 855992889 /nfs/dbraw/zinc/99/28/89/855992889.db2.gz JCVLEWTYCUMHBX-UHFFFAOYSA-N -1 3 389.411 3.932 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427621080 856018598 /nfs/dbraw/zinc/01/85/98/856018598.db2.gz AVQNQZWGUXURGL-UHFFFAOYSA-N -1 3 398.484 3.883 20 0 GHADHM CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000029307971 856037739 /nfs/dbraw/zinc/03/77/39/856037739.db2.gz GYKZPKUJWBROPU-UHFFFAOYSA-N -1 3 395.484 3.755 20 0 GHADHM Cc1cc(OCc2ccccc2)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)s1 ZINC000573335694 856086545 /nfs/dbraw/zinc/08/65/45/856086545.db2.gz PBCQNQUILGFDSI-MRXNPFEDSA-N -1 3 383.473 3.884 20 0 GHADHM COc1ccc(OCC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1C ZINC000485100474 856091433 /nfs/dbraw/zinc/09/14/33/856091433.db2.gz BDADUYXIVKMAIR-UHFFFAOYSA-N -1 3 378.388 3.552 20 0 GHADHM COc1ccc(OCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1C ZINC000485100474 856091444 /nfs/dbraw/zinc/09/14/44/856091444.db2.gz BDADUYXIVKMAIR-UHFFFAOYSA-N -1 3 378.388 3.552 20 0 GHADHM COCCCOc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485094341 856100581 /nfs/dbraw/zinc/10/05/81/856100581.db2.gz PXKHVZOGERSUEC-UHFFFAOYSA-N -1 3 392.415 3.886 20 0 GHADHM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485115628 856112457 /nfs/dbraw/zinc/11/24/57/856112457.db2.gz YOXKKBKRPMZPHR-UHFFFAOYSA-N -1 3 386.362 3.549 20 0 GHADHM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485115628 856112464 /nfs/dbraw/zinc/11/24/64/856112464.db2.gz YOXKKBKRPMZPHR-UHFFFAOYSA-N -1 3 386.362 3.549 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485106863 856117701 /nfs/dbraw/zinc/11/77/01/856117701.db2.gz PTAVMTYGSRGSOM-CYBMUJFWSA-N -1 3 390.399 3.827 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485106863 856117708 /nfs/dbraw/zinc/11/77/08/856117708.db2.gz PTAVMTYGSRGSOM-CYBMUJFWSA-N -1 3 390.399 3.827 20 0 GHADHM Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)[nH]c2c1C(=O)CCC2 ZINC000485130173 856128650 /nfs/dbraw/zinc/12/86/50/856128650.db2.gz BZNSWKRYNCXVNS-UHFFFAOYSA-N -1 3 375.388 3.626 20 0 GHADHM Cc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)[nH]c2c1C(=O)CCC2 ZINC000485130173 856128656 /nfs/dbraw/zinc/12/86/56/856128656.db2.gz BZNSWKRYNCXVNS-UHFFFAOYSA-N -1 3 375.388 3.626 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(Cn2cccn2)cc1 ZINC000485129869 856129424 /nfs/dbraw/zinc/12/94/24/856129424.db2.gz RDBBMRIZLUUBDD-UHFFFAOYSA-N -1 3 384.399 3.715 20 0 GHADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2N1 ZINC000032097798 856209044 /nfs/dbraw/zinc/20/90/44/856209044.db2.gz HNZGMCCEHFYWQO-UHFFFAOYSA-N -1 3 388.342 3.530 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c([O-])c1 ZINC000190807804 856232363 /nfs/dbraw/zinc/23/23/63/856232363.db2.gz FFVBQOHZBLGQSL-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)n3cccn3)c2)c(C)c1 ZINC000032600479 856243574 /nfs/dbraw/zinc/24/35/74/856243574.db2.gz BYYLPNOELKWVGR-INIZCTEOSA-N -1 3 398.488 3.500 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172000978 856319433 /nfs/dbraw/zinc/31/94/33/856319433.db2.gz USKGASVBVQRBLC-ZBEGNZNMSA-N -1 3 377.282 3.941 20 0 GHADHM O=C([N-]c1nncn1Cc1ccccc1)c1cc(-c2ccccc2Cl)on1 ZINC000605118424 862783297 /nfs/dbraw/zinc/78/32/97/862783297.db2.gz VWJFBKJFTCCXNU-UHFFFAOYSA-N -1 3 379.807 3.887 20 0 GHADHM C[C@]12CN([C@H](C(=O)[O-])c3ccc(Br)cc3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903945504 856476276 /nfs/dbraw/zinc/47/62/76/856476276.db2.gz UZNYRVMMAYTWRP-OROKQSSVSA-N -1 3 380.257 3.858 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1Cl ZINC000733223687 862803458 /nfs/dbraw/zinc/80/34/58/862803458.db2.gz HHZVDJMNLPFNQS-UHFFFAOYSA-N -1 3 398.887 3.751 20 0 GHADHM CCOc1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1OCC ZINC000905748386 856502263 /nfs/dbraw/zinc/50/22/63/856502263.db2.gz GXSXQEQXYITBIP-AWEZNQCLSA-N -1 3 376.478 3.628 20 0 GHADHM Cc1nn(-c2cccc(C)c2)cc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905749452 856504097 /nfs/dbraw/zinc/50/40/97/856504097.db2.gz IPNUYILMALFTLX-OAHLLOKOSA-N -1 3 382.489 3.633 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000482207597 862808231 /nfs/dbraw/zinc/80/82/31/862808231.db2.gz HWEJEEMJBOTRJL-YUMQZZPRSA-N -1 3 379.169 3.550 20 0 GHADHM CCCc1c(NC(=O)c2cc3c(cc2[O-])OCO3)cnn1-c1ccc(F)cc1 ZINC000436872138 856607517 /nfs/dbraw/zinc/60/75/17/856607517.db2.gz SLTCXVJXAKOANR-UHFFFAOYSA-N -1 3 383.379 3.651 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CCC1 ZINC000592099908 856642848 /nfs/dbraw/zinc/64/28/48/856642848.db2.gz PUFLKDSJTKSVLO-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000507900501 856649469 /nfs/dbraw/zinc/64/94/69/856649469.db2.gz CLAAAJXZYQAKRK-ZFWWWQNUSA-N -1 3 388.411 3.925 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)cc(C)c3N)nc(=O)c2c1C ZINC000058363362 856693309 /nfs/dbraw/zinc/69/33/09/856693309.db2.gz NZQHDRJWZCLCBA-SECBINFHSA-N -1 3 375.425 3.549 20 0 GHADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])c2ccccc2c1 ZINC000472434322 856711303 /nfs/dbraw/zinc/71/13/03/856711303.db2.gz BSPCMSRQDVXPAA-GOSISDBHSA-N -1 3 378.403 3.610 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)c1 ZINC000760962187 856764349 /nfs/dbraw/zinc/76/43/49/856764349.db2.gz XQDOWEAVXRPHCJ-UHFFFAOYSA-N -1 3 375.428 3.664 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(-c2c(F)cccc2F)c1 ZINC000482246038 862837131 /nfs/dbraw/zinc/83/71/31/862837131.db2.gz RSCYMYUAHBDSHK-UHFFFAOYSA-N -1 3 382.292 3.699 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H](N)C(C)C)no3)c2)cc1 ZINC000843149551 856823844 /nfs/dbraw/zinc/82/38/44/856823844.db2.gz AZCQCNPNQLRJOR-QGZVFWFLSA-N -1 3 386.477 3.502 20 0 GHADHM C[C@H](CSCCNCc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000592461503 856881831 /nfs/dbraw/zinc/88/18/31/856881831.db2.gz JOGSZYOABISSRD-SECBINFHSA-N -1 3 398.269 3.594 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccnc2N2CCCC2)s1 ZINC000906183030 856887658 /nfs/dbraw/zinc/88/76/58/856887658.db2.gz WBFMNFLTIHYVCC-UHFFFAOYSA-N -1 3 389.481 3.738 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000508089649 856887827 /nfs/dbraw/zinc/88/78/27/856887827.db2.gz QLWUTXUTLZZBQX-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](C)N3CCc4ccccc4C3)c12 ZINC000569107087 856903554 /nfs/dbraw/zinc/90/35/54/856903554.db2.gz VLNNDFZUHSTCNM-GFCCVEGCSA-N -1 3 382.489 3.557 20 0 GHADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000485693447 856935869 /nfs/dbraw/zinc/93/58/69/856935869.db2.gz IEYQGDCOULRHTB-UHFFFAOYSA-N -1 3 388.139 3.905 20 0 GHADHM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000508113407 856940827 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C[C@H](NCc1ncccc1[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000521115335 857636874 /nfs/dbraw/zinc/63/68/74/857636874.db2.gz YWZDPZHJNBSHED-HNNXBMFYSA-N -1 3 379.435 3.958 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442240750 857646219 /nfs/dbraw/zinc/64/62/19/857646219.db2.gz XNPHSKXVZRMFHL-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=S(=O)([N-]C1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cl)s1 ZINC000672725327 857648263 /nfs/dbraw/zinc/64/82/63/857648263.db2.gz QCCHXNCNQFLZFM-UHFFFAOYSA-N -1 3 399.921 3.921 20 0 GHADHM O=C(OCc1cn(CC(F)(F)c2ccccc2)nn1)c1cccc(Cl)c1[O-] ZINC001129126155 857666089 /nfs/dbraw/zinc/66/60/89/857666089.db2.gz WHJLEDXZYZXHQZ-UHFFFAOYSA-N -1 3 393.777 3.786 20 0 GHADHM Cc1ccc(CN(C(=O)NCc2ccc([O-])c(Br)c2)C2CC2)o1 ZINC000676026970 857713355 /nfs/dbraw/zinc/71/33/55/857713355.db2.gz FZFCGKSTVBFFPV-UHFFFAOYSA-N -1 3 379.254 3.930 20 0 GHADHM CC(C)Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC001127011052 857716516 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GHADHM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)C1CCN(Cc2ccccc2)CC1 ZINC000908092280 857913427 /nfs/dbraw/zinc/91/34/27/857913427.db2.gz UXSHEUFSHJUWGT-UHFFFAOYSA-N -1 3 384.476 3.803 20 0 GHADHM CSCc1cccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1 ZINC000546404030 857914961 /nfs/dbraw/zinc/91/49/61/857914961.db2.gz HWWXWGHCPIRRRH-UHFFFAOYSA-N -1 3 375.475 3.638 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3nc(C)n(-c4ccccc4)n3)cs2)n1C ZINC001129226848 857936783 /nfs/dbraw/zinc/93/67/83/857936783.db2.gz LYEFHVNGRVSLSQ-UHFFFAOYSA-N -1 3 378.461 3.598 20 0 GHADHM O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000521439870 857980212 /nfs/dbraw/zinc/98/02/12/857980212.db2.gz ZFLWGAWKMPJHPK-UHFFFAOYSA-N -1 3 388.427 3.677 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@@H](c3ccncc3)C2)s1 ZINC000908187572 857985662 /nfs/dbraw/zinc/98/56/62/857985662.db2.gz RZUYZISRUZIFTN-CQSZACIVSA-N -1 3 388.493 3.905 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN([C@H](C)c3nccs3)CC2)c([O-])c1 ZINC000191035062 858032308 /nfs/dbraw/zinc/03/23/08/858032308.db2.gz XQHUCAPOQAPNPH-OAHLLOKOSA-N -1 3 389.521 3.547 20 0 GHADHM O=C([O-])C1(CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000908335416 858040884 /nfs/dbraw/zinc/04/08/84/858040884.db2.gz YHXLZSULZJLNAY-SFHVURJKSA-N -1 3 390.499 3.579 20 0 GHADHM CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000078497875 858065372 /nfs/dbraw/zinc/06/53/72/858065372.db2.gz YDTUYLLXYBMFPW-INIZCTEOSA-N -1 3 390.361 3.860 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2Cl)CC1)c1cnccc1C(F)(F)F ZINC000442757476 858098235 /nfs/dbraw/zinc/09/82/35/858098235.db2.gz MDAMCTXBSMCVRV-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM C[C@@H](OCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000442894449 858215156 /nfs/dbraw/zinc/21/51/56/858215156.db2.gz BZGROMJROKVYDL-CYBMUJFWSA-N -1 3 388.411 3.547 20 0 GHADHM CC[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000066646543 858226492 /nfs/dbraw/zinc/22/64/92/858226492.db2.gz CBKYCZKQQPGYSZ-HNNXBMFYSA-N -1 3 390.505 3.675 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066687412 858249691 /nfs/dbraw/zinc/24/96/91/858249691.db2.gz HHQVAQDFBKCMJM-IBGZPJMESA-N -1 3 386.810 3.534 20 0 GHADHM C[C@H](CC(F)(F)F)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000594822025 858286055 /nfs/dbraw/zinc/28/60/55/858286055.db2.gz JWOMEWMSCCBSCP-OCCSQVGLSA-N -1 3 395.443 3.577 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(C)c(F)c1 ZINC000443088291 858346643 /nfs/dbraw/zinc/34/66/43/858346643.db2.gz AITYLORXEOLXOL-UHFFFAOYSA-N -1 3 393.461 3.614 20 0 GHADHM C[C@@H]1C[C@H](Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)CCO1 ZINC000657240743 858361945 /nfs/dbraw/zinc/36/19/45/858361945.db2.gz HAEFQAIUEJYDCT-ZWNOBZJWSA-N -1 3 376.869 3.834 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000443112717 858378905 /nfs/dbraw/zinc/37/89/05/858378905.db2.gz RUQJNQINCVADJP-AWEZNQCLSA-N -1 3 399.871 3.565 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)nn1-c1cccc(Cl)c1 ZINC000181825147 863026387 /nfs/dbraw/zinc/02/63/87/863026387.db2.gz SHAJZNAEBPVJGF-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM CC[C@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)C(C)(C)C ZINC000522067600 858574747 /nfs/dbraw/zinc/57/47/47/858574747.db2.gz HTAKCOIKRMPRJT-AWEZNQCLSA-N -1 3 383.448 3.547 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000443340568 858585066 /nfs/dbraw/zinc/58/50/66/858585066.db2.gz ALVUGQXERKJVKI-SFHVURJKSA-N -1 3 393.480 3.986 20 0 GHADHM O=c1cc(C[S@](=O)Cc2coc(-c3ccc(Cl)cc3)n2)nc(C2CC2)[n-]1 ZINC000575107965 858590585 /nfs/dbraw/zinc/59/05/85/858590585.db2.gz OGDBRRUPDZGTSV-SANMLTNESA-N -1 3 389.864 3.817 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N[N-]C(=O)c1ccccc1Br ZINC000046895479 858615466 /nfs/dbraw/zinc/61/54/66/858615466.db2.gz ITURRCOJRXVKJV-LBPRGKRZSA-N -1 3 393.306 3.532 20 0 GHADHM CCc1ccc(N2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1Cl ZINC000804194587 858755972 /nfs/dbraw/zinc/75/59/72/858755972.db2.gz RJTYLDARKLLCSZ-UHFFFAOYSA-N -1 3 395.890 3.706 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)n[n-]1 ZINC000895237859 858847452 /nfs/dbraw/zinc/84/74/52/858847452.db2.gz ICHVPRJMOYHIHR-QMMMGPOBSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)[n-]1 ZINC000895237859 858847465 /nfs/dbraw/zinc/84/74/65/858847465.db2.gz ICHVPRJMOYHIHR-QMMMGPOBSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000895237859 858847477 /nfs/dbraw/zinc/84/74/77/858847477.db2.gz ICHVPRJMOYHIHR-QMMMGPOBSA-N -1 3 376.766 3.504 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)ccc2Oc2ccccc2)c(=O)[n-]1 ZINC000068030418 858848489 /nfs/dbraw/zinc/84/84/89/858848489.db2.gz VYAYHTFFYZYHCK-UHFFFAOYSA-N -1 3 381.407 3.889 20 0 GHADHM CN(Cc1ccc(F)cc1Br)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000482780865 858857360 /nfs/dbraw/zinc/85/73/60/858857360.db2.gz QDQXNHRPXBTERN-UHFFFAOYSA-N -1 3 389.224 3.702 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC1(F)F ZINC000673378637 858863810 /nfs/dbraw/zinc/86/38/10/858863810.db2.gz UBSCIYQKCQGIPS-MSOLQXFVSA-N -1 3 388.414 3.557 20 0 GHADHM CC(C)Cn1ncc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1C1CC1 ZINC000673383044 858872482 /nfs/dbraw/zinc/87/24/82/858872482.db2.gz LTIMXLVQESFKNL-UHFFFAOYSA-N -1 3 386.402 3.789 20 0 GHADHM Cc1coc(-c2cc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])ccc2C)n1 ZINC000160504178 858967510 /nfs/dbraw/zinc/96/75/10/858967510.db2.gz RPKISQBUGYYGRX-UHFFFAOYSA-N -1 3 393.443 3.731 20 0 GHADHM CC[C@]1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2O1 ZINC000443574145 858975565 /nfs/dbraw/zinc/97/55/65/858975565.db2.gz KPJCPSUKOBXOCG-KSFYIVLOSA-N -1 3 396.443 3.533 20 0 GHADHM CCOc1cc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)cc(Br)c1[O-] ZINC000665353068 859006894 /nfs/dbraw/zinc/00/68/94/859006894.db2.gz WFMVZTPUQUXTOV-LBPRGKRZSA-N -1 3 388.302 3.780 20 0 GHADHM CC[C@H]1CCc2ccccc2N1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000482980208 859040184 /nfs/dbraw/zinc/04/01/84/859040184.db2.gz PKNPDWWELPMFGL-AWEZNQCLSA-N -1 3 397.500 3.811 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cn2c(cccc2C)n1 ZINC000470625093 859052487 /nfs/dbraw/zinc/05/24/87/859052487.db2.gz XZSKYHBBHONJAY-UHFFFAOYSA-N -1 3 389.864 3.829 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3Cl)CCCCCC2)no1 ZINC000116701147 859106592 /nfs/dbraw/zinc/10/65/92/859106592.db2.gz NJUVHQLJDLAPRB-UHFFFAOYSA-N -1 3 383.901 3.701 20 0 GHADHM CN(C)c1cccc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000120323908 881383259 /nfs/dbraw/zinc/38/32/59/881383259.db2.gz VIRSHTBZDXUNJL-UHFFFAOYSA-N -1 3 394.500 3.943 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000068822048 859216575 /nfs/dbraw/zinc/21/65/75/859216575.db2.gz JDKPMPPUVQYPLT-OAHLLOKOSA-N -1 3 390.480 3.889 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000466708840 859227780 /nfs/dbraw/zinc/22/77/80/859227780.db2.gz VEQONNASNMILTL-ZFWWWQNUSA-N -1 3 393.915 3.842 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3Cc4ccc(C)cc4C3)nc(=O)c2c1C ZINC000483330556 859301692 /nfs/dbraw/zinc/30/16/92/859301692.db2.gz LNNMUSBBFMOKMC-CYBMUJFWSA-N -1 3 397.500 3.855 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC000895373479 859303100 /nfs/dbraw/zinc/30/31/00/859303100.db2.gz LTPOFUTVXUHRGL-JTQLQIEISA-N -1 3 391.443 3.967 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cc2ccccc2n1CC(F)(F)F ZINC000429420128 859326109 /nfs/dbraw/zinc/32/61/09/859326109.db2.gz BOCRQYULFJMIMA-UHFFFAOYSA-N -1 3 385.349 3.663 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000923468821 859346517 /nfs/dbraw/zinc/34/65/17/859346517.db2.gz FIWKLRBTMFEKQL-REWPJTCUSA-N -1 3 396.487 3.952 20 0 GHADHM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)n1 ZINC000113743718 859346457 /nfs/dbraw/zinc/34/64/57/859346457.db2.gz YSPMYKXPSUYQCX-UHFFFAOYSA-N -1 3 381.816 3.947 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738429080 859401903 /nfs/dbraw/zinc/40/19/03/859401903.db2.gz SSPQRADMEONUSM-IERDGZPVSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738429080 859401905 /nfs/dbraw/zinc/40/19/05/859401905.db2.gz SSPQRADMEONUSM-IERDGZPVSA-N -1 3 386.459 3.995 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3ccc(Cl)cc3)s2)c2ccccc21 ZINC000764414587 859444154 /nfs/dbraw/zinc/44/41/54/859444154.db2.gz WOCMHHAKADFVBT-NTEUORMPSA-N -1 3 382.832 3.582 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483571371 859467476 /nfs/dbraw/zinc/46/74/76/859467476.db2.gz HJFCEAXBZBXOED-MRVPVSSYSA-N -1 3 395.307 3.745 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483570211 859467558 /nfs/dbraw/zinc/46/75/58/859467558.db2.gz SEDXYGGKJVMNHS-UHFFFAOYSA-N -1 3 375.782 3.597 20 0 GHADHM O=C(Nc1n[n-]c(SCCO)n1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000483605545 859482383 /nfs/dbraw/zinc/48/23/83/859482383.db2.gz ZBWLPLJUUJWPTP-UHFFFAOYSA-N -1 3 390.852 3.587 20 0 GHADHM O=C([O-])c1nnc2ccccc2c1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000738710263 859489762 /nfs/dbraw/zinc/48/97/62/859489762.db2.gz MAPKSNXABQUQQB-UHFFFAOYSA-N -1 3 396.878 3.694 20 0 GHADHM COc1ccc(Br)cc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737064381 859526357 /nfs/dbraw/zinc/52/63/57/859526357.db2.gz BOMNOYKXMFEQQR-UHFFFAOYSA-N -1 3 377.267 3.930 20 0 GHADHM COc1ccc(Br)cc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737064381 859526365 /nfs/dbraw/zinc/52/63/65/859526365.db2.gz BOMNOYKXMFEQQR-UHFFFAOYSA-N -1 3 377.267 3.930 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)cc1F)c1csc(-c2ccccc2)n1 ZINC000601768382 859542539 /nfs/dbraw/zinc/54/25/39/859542539.db2.gz SVIWZCUZGOLAPL-UHFFFAOYSA-N -1 3 380.441 3.609 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000474187845 859564169 /nfs/dbraw/zinc/56/41/69/859564169.db2.gz FULAXHQOFXBTTE-AWEZNQCLSA-N -1 3 377.384 3.581 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C)c1ccc(C)o1 ZINC000474183504 859570376 /nfs/dbraw/zinc/57/03/76/859570376.db2.gz NDPPEKRLEIVTNU-ZDUSSCGKSA-N -1 3 377.384 3.581 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc2c(c1)CCCO2 ZINC000673494758 859574291 /nfs/dbraw/zinc/57/42/91/859574291.db2.gz CPGKYVPTXKOPEL-UHFFFAOYSA-N -1 3 382.441 4.000 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535895479 859611852 /nfs/dbraw/zinc/61/18/52/859611852.db2.gz BPXQQNIUWVEVMB-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-])c1ccco1 ZINC000069693104 859639938 /nfs/dbraw/zinc/63/99/38/859639938.db2.gz HXUVQGNOTMFKFJ-MRXNPFEDSA-N -1 3 384.819 3.618 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c([O-])c1C ZINC000052748606 859733141 /nfs/dbraw/zinc/73/31/41/859733141.db2.gz OJDXSHPBRCXELG-HNNXBMFYSA-N -1 3 378.432 3.658 20 0 GHADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000484246934 859898425 /nfs/dbraw/zinc/89/84/25/859898425.db2.gz RBBGWUHHJDEQKQ-UHFFFAOYSA-N -1 3 385.370 3.716 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(CCOCc3ccccc3)CC2)c([O-])c1 ZINC000474365557 859936520 /nfs/dbraw/zinc/93/65/20/859936520.db2.gz BBXKSTOTCZFKIE-UHFFFAOYSA-N -1 3 383.444 3.895 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1nccs1 ZINC000096743314 859955654 /nfs/dbraw/zinc/95/56/54/859955654.db2.gz OSKFBAAKMMZFQR-JTQLQIEISA-N -1 3 395.731 3.989 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@H]1CCCC[C@H]1C ZINC000727320107 860045109 /nfs/dbraw/zinc/04/51/09/860045109.db2.gz JLLSXIQVSXAEMB-PBHICJAKSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CN[C@H](C(=O)[O-])c1ccccc1Cl)CC(F)F ZINC000904026236 860067659 /nfs/dbraw/zinc/06/76/59/860067659.db2.gz QRFCKGFOHFXBBX-YGRLFVJLSA-N -1 3 392.830 3.604 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(OCC(F)(F)F)cc1 ZINC000436557701 860075766 /nfs/dbraw/zinc/07/57/66/860075766.db2.gz XSKBGCRILKRFHM-SNVBAGLBSA-N -1 3 383.322 3.553 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc2)CC1 ZINC000474435653 860092677 /nfs/dbraw/zinc/09/26/77/860092677.db2.gz CFVJEBKAWRHMRL-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc([O-])c4ccccc4c3)c2)C1=O ZINC000526040541 860143347 /nfs/dbraw/zinc/14/33/47/860143347.db2.gz MJAFTLZZWLFTDA-SFHVURJKSA-N -1 3 389.411 3.633 20 0 GHADHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000527158856 860169727 /nfs/dbraw/zinc/16/97/27/860169727.db2.gz HEISWIGRZMXJNV-SFHVURJKSA-N -1 3 393.418 3.721 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000527169829 860169799 /nfs/dbraw/zinc/16/97/99/860169799.db2.gz SJAPZQOEZRJADQ-SFHVURJKSA-N -1 3 398.821 3.873 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000527177134 860170780 /nfs/dbraw/zinc/17/07/80/860170780.db2.gz UVIUVUVXVGESHO-UHFFFAOYSA-N -1 3 390.468 3.513 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000527456316 860180613 /nfs/dbraw/zinc/18/06/13/860180613.db2.gz HQJXKCRNQQBULX-HXUWFJFHSA-N -1 3 375.403 3.937 20 0 GHADHM Cc1ccc(CSCCNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904205435 860234114 /nfs/dbraw/zinc/23/41/14/860234114.db2.gz RFOCMNBZBHZUJC-UHFFFAOYSA-N -1 3 388.533 3.912 20 0 GHADHM C[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccccc1Cl ZINC000904221922 860245396 /nfs/dbraw/zinc/24/53/96/860245396.db2.gz SBWCTULDHIGFQZ-CQSZACIVSA-N -1 3 392.883 3.791 20 0 GHADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753080 860258758 /nfs/dbraw/zinc/25/87/58/860258758.db2.gz PAWKNMJXAGYPOQ-JTQLQIEISA-N -1 3 391.290 3.713 20 0 GHADHM COc1cccc([C@]2(C)CCN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)C2)c1 ZINC000904252307 860268890 /nfs/dbraw/zinc/26/88/90/860268890.db2.gz XULOCWPRJDGWNN-HSZRJFAPSA-N -1 3 398.503 3.753 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)o2)CC1 ZINC000904256759 860295266 /nfs/dbraw/zinc/29/52/66/860295266.db2.gz HNDUXUWYFMBVAQ-KSSFIOAISA-N -1 3 386.414 3.745 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc2c(cc1[O-])OCO2 ZINC000436589902 860376465 /nfs/dbraw/zinc/37/64/65/860376465.db2.gz QMYGOQZFNUOCLG-LJQANCHMSA-N -1 3 382.803 3.689 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000904400684 860405425 /nfs/dbraw/zinc/40/54/25/860405425.db2.gz KOXGNYLGBFKPAQ-GOSISDBHSA-N -1 3 392.297 3.916 20 0 GHADHM COC(=O)c1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)n2c1CCCC2 ZINC000598585361 860433051 /nfs/dbraw/zinc/43/30/51/860433051.db2.gz BGLQHJBDRDQVCU-KRWDZBQOSA-N -1 3 390.867 3.570 20 0 GHADHM COC(=O)c1sc2[n-]c(CSC[C@@H]3CC[C@H]4C[C@H]4C3)nc(=O)c2c1C ZINC000598715336 860524329 /nfs/dbraw/zinc/52/43/29/860524329.db2.gz BGKMRHIEAWVRIE-GRYCIOLGSA-N -1 3 378.519 3.749 20 0 GHADHM O=c1[n-]c(CN[C@H](c2ccccc2)c2ccccn2)nc2c3ccccc3oc21 ZINC000026878979 860601836 /nfs/dbraw/zinc/60/18/36/860601836.db2.gz IDPLLWXNNSZQGW-HXUWFJFHSA-N -1 3 382.423 3.944 20 0 GHADHM Cc1ccc(Br)c(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000840515733 860657045 /nfs/dbraw/zinc/65/70/45/860657045.db2.gz QQQCEIJCMDKGHX-UHFFFAOYSA-N -1 3 378.270 3.615 20 0 GHADHM CCCCOc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000156113087 860686037 /nfs/dbraw/zinc/68/60/37/860686037.db2.gz DINNOWVJKUNDFZ-UHFFFAOYSA-N -1 3 376.428 3.718 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c(C)c1 ZINC000102598291 860767944 /nfs/dbraw/zinc/76/79/44/860767944.db2.gz GRVZLHADWRSCOX-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1ccc(Br)s1 ZINC000481256846 860857764 /nfs/dbraw/zinc/85/77/64/860857764.db2.gz KWNCEVSASYAXSI-UHFFFAOYSA-N -1 3 378.288 3.561 20 0 GHADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000509100839 861050560 /nfs/dbraw/zinc/05/05/60/861050560.db2.gz URZYOQLEDYSZCV-UHFFFAOYSA-N -1 3 383.853 3.537 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623434107 861063837 /nfs/dbraw/zinc/06/38/37/861063837.db2.gz GJACKIQVMLKXQZ-UHFFFAOYSA-N -1 3 399.800 3.730 20 0 GHADHM CSc1ccc(C(=O)COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364939 861073563 /nfs/dbraw/zinc/07/35/63/861073563.db2.gz QNCAAVPCFMGERG-UHFFFAOYSA-N -1 3 381.247 3.916 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1OC ZINC000605493042 863112096 /nfs/dbraw/zinc/11/20/96/863112096.db2.gz UAFFSRJUFXFPIQ-NSHDSACASA-N -1 3 397.880 3.872 20 0 GHADHM COC(=O)[C@H](OC(=O)c1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000733828405 863205206 /nfs/dbraw/zinc/20/52/06/863205206.db2.gz VYYUDJHVOPXLKS-CQSZACIVSA-N -1 3 399.624 3.879 20 0 GHADHM CCn1cc(C(=O)[N-]c2nc(-c3cccc(OC)c3)ns2)c(C(F)(F)F)n1 ZINC000281562083 863249864 /nfs/dbraw/zinc/24/98/64/863249864.db2.gz OBPLKHMEQUHEHZ-UHFFFAOYSA-N -1 3 397.382 3.701 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000247983295 863254213 /nfs/dbraw/zinc/25/42/13/863254213.db2.gz HWNFGIHUPGEDFA-LZQZEXGQSA-N -1 3 382.435 3.943 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC2(CC1)OCc1ccccc12 ZINC000626101676 863298493 /nfs/dbraw/zinc/29/84/93/863298493.db2.gz ZZSUQDZOHCPMFY-UHFFFAOYSA-N -1 3 388.261 3.816 20 0 GHADHM Cc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc2)cc1 ZINC000482630332 863403678 /nfs/dbraw/zinc/40/36/78/863403678.db2.gz AENZKMCUUZOAKT-MRXNPFEDSA-N -1 3 389.381 3.721 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029688620 863542753 /nfs/dbraw/zinc/54/27/53/863542753.db2.gz MVIMWWKXPXCJJG-UHFFFAOYSA-N -1 3 398.846 3.698 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000606537007 863693973 /nfs/dbraw/zinc/69/39/73/863693973.db2.gz SCNFHMRDVBGKPJ-UHFFFAOYSA-N -1 3 380.206 3.954 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2cccc(Br)c2)CC1 ZINC000606691417 863782104 /nfs/dbraw/zinc/78/21/04/863782104.db2.gz JQOMKUIGBDAXOK-UHFFFAOYSA-N -1 3 393.256 3.825 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000606828441 863861728 /nfs/dbraw/zinc/86/17/28/863861728.db2.gz UROGOJAGFUPJPZ-LJQANCHMSA-N -1 3 375.490 3.780 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cc2c(cc1Cl)OCCO2 ZINC000171179904 863895504 /nfs/dbraw/zinc/89/55/04/863895504.db2.gz RSMSFKMUEGISES-UHFFFAOYSA-N -1 3 378.208 3.705 20 0 GHADHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)c([O-])c1 ZINC000132842923 881750493 /nfs/dbraw/zinc/75/04/93/881750493.db2.gz QWAKXQGGQQUDDF-AWEZNQCLSA-N -1 3 395.322 3.783 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000444325904 864337517 /nfs/dbraw/zinc/33/75/17/864337517.db2.gz YSQHROHWJDEEHL-HIFRSBDPSA-N -1 3 376.453 3.545 20 0 GHADHM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc4nccn4c3)cc2)cc1 ZINC000607433988 864425894 /nfs/dbraw/zinc/42/58/94/864425894.db2.gz PWSNVYHOKYVIHK-UHFFFAOYSA-N -1 3 395.440 3.936 20 0 GHADHM Cc1ccccc1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000554489749 864429542 /nfs/dbraw/zinc/42/95/42/864429542.db2.gz CVXIDUAUAAPYRV-UHFFFAOYSA-N -1 3 385.261 3.572 20 0 GHADHM C[C@@H](c1ccco1)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000621798081 864442054 /nfs/dbraw/zinc/44/20/54/864442054.db2.gz IIRBRDMEVYGNFT-NSHDSACASA-N -1 3 393.440 3.697 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000554526853 864482397 /nfs/dbraw/zinc/48/23/97/864482397.db2.gz CJTQCEWEOTZQJQ-CQSZACIVSA-N -1 3 391.258 3.748 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000163681806 864552106 /nfs/dbraw/zinc/55/21/06/864552106.db2.gz DYDHPEHMXPHBLN-UHFFFAOYSA-N -1 3 379.435 3.881 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000898739957 864580617 /nfs/dbraw/zinc/58/06/17/864580617.db2.gz NMNBZLNRNOIQKG-GFCCVEGCSA-N -1 3 379.913 3.617 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000897124190 864585518 /nfs/dbraw/zinc/58/55/18/864585518.db2.gz DOXALKXIFFJSDP-HNNXBMFYSA-N -1 3 398.409 3.628 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000621941687 864608650 /nfs/dbraw/zinc/60/86/50/864608650.db2.gz XWAOPYIIBCCQCA-APPDUMDISA-N -1 3 383.366 3.926 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)sc1Cl ZINC000480417112 864617488 /nfs/dbraw/zinc/61/74/88/864617488.db2.gz NFOLCURHMRSAHT-UHFFFAOYSA-N -1 3 384.954 3.905 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000621978919 864649646 /nfs/dbraw/zinc/64/96/46/864649646.db2.gz GZAZVMZIQCZPPW-UHFFFAOYSA-N -1 3 393.409 3.964 20 0 GHADHM Cc1cccc(CC2(O)CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000621987165 864671643 /nfs/dbraw/zinc/67/16/43/864671643.db2.gz MBYNOXVEMDZNKJ-UHFFFAOYSA-N -1 3 393.405 3.929 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000607704629 864679546 /nfs/dbraw/zinc/67/95/46/864679546.db2.gz ORRFLHHWVNVCJV-UYAOXDASSA-N -1 3 397.272 3.751 20 0 GHADHM COC(=O)NCc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000735271079 864692517 /nfs/dbraw/zinc/69/25/17/864692517.db2.gz VJQMGYBSUZAEDQ-UHFFFAOYSA-N -1 3 390.505 3.886 20 0 GHADHM CSc1ccc(F)cc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640294756 881793205 /nfs/dbraw/zinc/79/32/05/881793205.db2.gz IQAWRWHFKBVWPL-UHFFFAOYSA-N -1 3 396.797 3.703 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(C)c1C ZINC000735267786 864709348 /nfs/dbraw/zinc/70/93/48/864709348.db2.gz XVPHTQSJCNCSAQ-UHFFFAOYSA-N -1 3 378.469 3.852 20 0 GHADHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000735267316 864709852 /nfs/dbraw/zinc/70/98/52/864709852.db2.gz OEESVFSZTCFUQH-MDWZMJQESA-N -1 3 389.473 3.689 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(C/N=C/c3cc(Cl)ccc3[O-])cc2)C[C@H](C)O1 ZINC000063427737 864737146 /nfs/dbraw/zinc/73/71/46/864737146.db2.gz TYIUKAFQQSDVEC-YSHIDAMPSA-N -1 3 386.879 3.914 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000063427561 864737229 /nfs/dbraw/zinc/73/72/29/864737229.db2.gz WIOJOLJKUZUXOC-FCASDWRQSA-N -1 3 378.266 3.630 20 0 GHADHM CC(=O)N(c1nc(C[N-]c2nnc(C(F)F)o2)cs1)c1ccc(F)cc1 ZINC000189275535 881803489 /nfs/dbraw/zinc/80/34/89/881803489.db2.gz ZDSTZHPDLQOCHO-UHFFFAOYSA-N -1 3 383.355 3.900 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc4cccc(F)c4o3)n[nH]2)cc1OC ZINC000607909115 864862532 /nfs/dbraw/zinc/86/25/32/864862532.db2.gz KEPWCPGWMUJALS-UHFFFAOYSA-N -1 3 382.351 3.627 20 0 GHADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000735657870 864910708 /nfs/dbraw/zinc/91/07/08/864910708.db2.gz OCXRZPGIRNYCTC-FQEVSTJZSA-N -1 3 385.423 3.886 20 0 GHADHM O=C(NN=c1cccn[n-]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000184771929 864929113 /nfs/dbraw/zinc/92/91/13/864929113.db2.gz QOKOBRGGDTWYKW-UHFFFAOYSA-N -1 3 385.767 3.587 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)s1 ZINC000608032639 864936904 /nfs/dbraw/zinc/93/69/04/864936904.db2.gz SJVPSJGYELTWTQ-DZGCQCFKSA-N -1 3 386.336 3.828 20 0 GHADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000480621494 864984948 /nfs/dbraw/zinc/98/49/48/864984948.db2.gz DYZGWDPFGDDODG-MRXNPFEDSA-N -1 3 385.888 3.795 20 0 GHADHM CC(C)(C)CC[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C ZINC001211897101 864993247 /nfs/dbraw/zinc/99/32/47/864993247.db2.gz MZKGIUDDWJCULI-INIZCTEOSA-N -1 3 387.517 3.782 20 0 GHADHM CC(C)N(Cc1ncc(-c2cccs2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735873232 865018809 /nfs/dbraw/zinc/01/88/09/865018809.db2.gz DBWUWUOSMKQBTM-UHFFFAOYSA-N -1 3 380.477 3.994 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)n1 ZINC000523030029 865053933 /nfs/dbraw/zinc/05/39/33/865053933.db2.gz WTWICOUXMLNOAZ-UHFFFAOYSA-N -1 3 385.427 3.558 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000827907179 865147512 /nfs/dbraw/zinc/14/75/12/865147512.db2.gz LWGQEYHUZVHGBD-VQTJNVASSA-N -1 3 375.472 3.848 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000827907177 865147579 /nfs/dbraw/zinc/14/75/79/865147579.db2.gz LWGQEYHUZVHGBD-PMACEKPBSA-N -1 3 375.472 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC)cc1Cl ZINC000736480991 865207188 /nfs/dbraw/zinc/20/71/88/865207188.db2.gz QIDFAWJKVRRFHR-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC)cc1Cl ZINC000736480991 865207204 /nfs/dbraw/zinc/20/72/04/865207204.db2.gz QIDFAWJKVRRFHR-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM COc1ccc(SCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000156553579 865288352 /nfs/dbraw/zinc/28/83/52/865288352.db2.gz REWVPXGLGKPMEX-UHFFFAOYSA-N -1 3 396.306 3.962 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)c1ccco1 ZINC000480801693 865308501 /nfs/dbraw/zinc/30/85/01/865308501.db2.gz XHIWYRQZVNUFHR-FQEVSTJZSA-N -1 3 389.448 3.945 20 0 GHADHM O=C(OCCCSCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000761384805 865335377 /nfs/dbraw/zinc/33/53/77/865335377.db2.gz MQJFLQIEUICPRU-IBGZPJMESA-N -1 3 399.512 3.864 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000738294799 865522511 /nfs/dbraw/zinc/52/25/11/865522511.db2.gz SROBACSKLGWIPH-KRWDZBQOSA-N -1 3 388.467 3.798 20 0 GHADHM CC(C)(C)NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001271590788 865534859 /nfs/dbraw/zinc/53/48/59/865534859.db2.gz XXVUTMPIJYWZDK-QRWLVFNGSA-N -1 3 378.900 3.593 20 0 GHADHM CCc1cc2c(CSc3nnc(NC4CC4)s3)cc(=O)oc2cc1[O-] ZINC000007577640 865542285 /nfs/dbraw/zinc/54/22/85/865542285.db2.gz SRZVTPQLHAVWNZ-UHFFFAOYSA-N -1 3 375.475 3.779 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(-n4ccnn4)cc3)nc2)n1 ZINC000301812285 865547811 /nfs/dbraw/zinc/54/78/11/865547811.db2.gz BSVOORCSQMAVRR-CQSZACIVSA-N -1 3 387.447 3.560 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)c1cccnc1Cl ZINC000738365867 865548103 /nfs/dbraw/zinc/54/81/03/865548103.db2.gz QASBBWOYUGJQNC-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC000480953146 865594875 /nfs/dbraw/zinc/59/48/75/865594875.db2.gz QDQDXSYAUTVEOM-MRXNPFEDSA-N -1 3 397.855 3.622 20 0 GHADHM Fc1ccccc1[N-]c1nnc(Sc2ccc3nnc(C(F)F)n3n2)s1 ZINC000301931542 865613083 /nfs/dbraw/zinc/61/30/83/865613083.db2.gz NXUOHAIJIGDAJR-UHFFFAOYSA-N -1 3 395.395 3.947 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccncc3)s2)c(F)cc1F ZINC000172740238 865691836 /nfs/dbraw/zinc/69/18/36/865691836.db2.gz SNYRYFCVZCWVGF-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM CCC(=O)c1ccc(OCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000622892479 865706419 /nfs/dbraw/zinc/70/64/19/865706419.db2.gz RTVRYSNNIGRFTL-UHFFFAOYSA-N -1 3 383.835 3.762 20 0 GHADHM O=C(COCc1nc2ccccc2s1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892139 865707318 /nfs/dbraw/zinc/70/73/18/865707318.db2.gz AXQUWSYOGKYCLF-UHFFFAOYSA-N -1 3 398.875 3.917 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Oc4cccc(F)c4)C3)nc2)n1 ZINC000302161166 865741674 /nfs/dbraw/zinc/74/16/74/865741674.db2.gz NXCFMCGBBWOLPN-SFHVURJKSA-N -1 3 380.423 3.603 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1CCC(F)(F)F ZINC000481055144 865751899 /nfs/dbraw/zinc/75/18/99/865751899.db2.gz HSEUIPMRDSSUKB-UHFFFAOYSA-N -1 3 381.280 3.640 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)c(F)cc1F ZINC000481082681 865786843 /nfs/dbraw/zinc/78/68/43/865786843.db2.gz ANIBVNAQOPSKNS-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121089943 881915079 /nfs/dbraw/zinc/91/50/79/881915079.db2.gz YAZRDNHRALEEAX-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121089943 881915093 /nfs/dbraw/zinc/91/50/93/881915093.db2.gz YAZRDNHRALEEAX-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)N2 ZINC000623018426 865922283 /nfs/dbraw/zinc/92/22/83/865922283.db2.gz HWMFWKFPGNFQCS-OAHLLOKOSA-N -1 3 392.377 3.829 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@@]34CCCc3ccccc34)cc2)n1 ZINC000174665626 865932970 /nfs/dbraw/zinc/93/29/70/865932970.db2.gz VKAUYXJPQDYZAQ-HYBUGGRVSA-N -1 3 385.467 3.978 20 0 GHADHM CCOC(=O)C(=O)c1csc([N-]c2ncnc3scc(C(C)(C)C)c32)n1 ZINC000793098749 881938835 /nfs/dbraw/zinc/93/88/35/881938835.db2.gz VWQXYXXXKXVXPE-UHFFFAOYSA-N -1 3 390.490 3.935 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(-c2cccc(F)c2)n1 ZINC000620006434 866264010 /nfs/dbraw/zinc/26/40/10/866264010.db2.gz ULVAHUYRCNDSGO-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@@H]3C)ccc2C)c(C)c1 ZINC000620030411 866284181 /nfs/dbraw/zinc/28/41/81/866284181.db2.gz NDZORJJKXRENLZ-KRWDZBQOSA-N -1 3 386.517 3.955 20 0 GHADHM COc1cc(C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)cc(OC)c1[O-] ZINC000552835125 866300869 /nfs/dbraw/zinc/30/08/69/866300869.db2.gz ZGZMEAXCWZWGNH-UHFFFAOYSA-N -1 3 375.852 3.958 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000857058648 881973873 /nfs/dbraw/zinc/97/38/73/881973873.db2.gz XCYUBQAAZNSRLY-NSHDSACASA-N -1 3 394.349 3.859 20 0 GHADHM Cc1nc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c2ccccn12 ZINC000741353468 866453275 /nfs/dbraw/zinc/45/32/75/866453275.db2.gz LLQAUZZQRCSGRI-JTQLQIEISA-N -1 3 382.445 3.888 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H](C2CCC2)C1 ZINC000620209520 866559260 /nfs/dbraw/zinc/55/92/60/866559260.db2.gz GULCZDKICPWAHY-ZDUSSCGKSA-N -1 3 389.293 3.943 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000059289887 882003873 /nfs/dbraw/zinc/00/38/73/882003873.db2.gz JYVKXFOFTJQTCG-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)CCCC1 ZINC000534409846 866735650 /nfs/dbraw/zinc/73/56/50/866735650.db2.gz GPHIMXJBVVLBEI-UHFFFAOYSA-N -1 3 391.892 3.553 20 0 GHADHM CSCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000478898093 866841951 /nfs/dbraw/zinc/84/19/51/866841951.db2.gz CTBIOGWLNLJUTJ-UHFFFAOYSA-N -1 3 386.764 3.914 20 0 GHADHM CC1(C2(NC(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)CC2)CC1 ZINC000456650287 866923621 /nfs/dbraw/zinc/92/36/21/866923621.db2.gz QYQWBHMIUXDDJW-LJQANCHMSA-N -1 3 378.472 3.702 20 0 GHADHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1scnc1C(F)(F)F ZINC000553244953 867040758 /nfs/dbraw/zinc/04/07/58/867040758.db2.gz IQFXFGDGBDCOLF-UHFFFAOYSA-N -1 3 387.364 3.795 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](CC(C)C)c3ccccc3)CC2)n[n-]1 ZINC000444671517 867043975 /nfs/dbraw/zinc/04/39/75/867043975.db2.gz GKQLGXKRBKGIIH-SFHVURJKSA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](CC(C)C)c3ccccc3)CC2)[n-]1 ZINC000444671517 867043989 /nfs/dbraw/zinc/04/39/89/867043989.db2.gz GKQLGXKRBKGIIH-SFHVURJKSA-N -1 3 398.507 3.517 20 0 GHADHM COC(=O)C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000857135592 882040829 /nfs/dbraw/zinc/04/08/29/882040829.db2.gz XHFFDKYMPGROMY-LBPRGKRZSA-N -1 3 379.334 3.718 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000534569388 867063579 /nfs/dbraw/zinc/06/35/79/867063579.db2.gz FMKHVTJBQBSMIU-UHFFFAOYSA-N -1 3 383.455 3.539 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@@H]2CC(C)C)cc1OC ZINC000466975619 867097120 /nfs/dbraw/zinc/09/71/20/867097120.db2.gz FABQKTACAMQTEF-MRXNPFEDSA-N -1 3 397.541 3.889 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)[C@H](c1ccccc1)N(C)C ZINC000479110866 867150986 /nfs/dbraw/zinc/15/09/86/867150986.db2.gz ZEUYALKMACSSRT-WBVCDTRGSA-N -1 3 397.504 3.536 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2cnccc21 ZINC000479116443 867208688 /nfs/dbraw/zinc/20/86/88/867208688.db2.gz RQNNFUZGJNIOGC-MRXNPFEDSA-N -1 3 384.354 3.956 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000456828323 867217078 /nfs/dbraw/zinc/21/70/78/867217078.db2.gz DIBKKLIBBUZUBR-PKOBYXMFSA-N -1 3 396.535 3.796 20 0 GHADHM COC(C)(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000154130628 867261700 /nfs/dbraw/zinc/26/17/00/867261700.db2.gz SCKQPVANXXTKNT-UHFFFAOYSA-N -1 3 391.424 3.558 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 ZINC000479163160 867262931 /nfs/dbraw/zinc/26/29/31/867262931.db2.gz MTWXIEFURYFMFR-AWEZNQCLSA-N -1 3 381.860 3.576 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)o1 ZINC000190009979 882067753 /nfs/dbraw/zinc/06/77/53/882067753.db2.gz HENLCVLETIJPKX-OAHLLOKOSA-N -1 3 391.411 3.613 20 0 GHADHM COCCN(C[C@H]1CC=CCC1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000479188481 867335489 /nfs/dbraw/zinc/33/54/89/867335489.db2.gz LBDRQKNZAOWKBC-KRWDZBQOSA-N -1 3 396.491 3.994 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534723083 867371706 /nfs/dbraw/zinc/37/17/06/867371706.db2.gz VXROKEJFVTUHOR-QGZVFWFLSA-N -1 3 393.846 3.647 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C)OCO2 ZINC000479267452 867461546 /nfs/dbraw/zinc/46/15/46/867461546.db2.gz UNPMZRZMYXPYKY-UHFFFAOYSA-N -1 3 398.278 3.904 20 0 GHADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(Br)cc1[O-] ZINC000534788799 867492778 /nfs/dbraw/zinc/49/27/78/867492778.db2.gz GSFSPIYDUAGAMB-JTQLQIEISA-N -1 3 378.222 3.668 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1C ZINC000534792892 867503450 /nfs/dbraw/zinc/50/34/50/867503450.db2.gz LQSGLEAXIWFKGD-UHFFFAOYSA-N -1 3 385.489 3.877 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(F)c1 ZINC000479371700 867640501 /nfs/dbraw/zinc/64/05/01/867640501.db2.gz CKMUAWARHPZVMJ-UHFFFAOYSA-N -1 3 393.436 3.517 20 0 GHADHM O=S(=O)(CCCF)[N-]C1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000155066642 867736851 /nfs/dbraw/zinc/73/68/51/867736851.db2.gz JKHHKQMVHAATRV-UHFFFAOYSA-N -1 3 387.521 3.631 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743049115 867785873 /nfs/dbraw/zinc/78/58/73/867785873.db2.gz MWSBOFRXMZEAHG-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000523694963 867796622 /nfs/dbraw/zinc/79/66/22/867796622.db2.gz BEEYAGOWSPOGNS-HNNXBMFYSA-N -1 3 389.814 3.513 20 0 GHADHM O=S(=O)([N-]c1ccnc(F)c1F)c1cc(Cl)ccc1OCC1CCC1 ZINC000857252443 882145346 /nfs/dbraw/zinc/14/53/46/882145346.db2.gz QOAWRXDXFABILP-UHFFFAOYSA-N -1 3 388.823 3.993 20 0 GHADHM CC(C)Cn1cc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000743265338 868040080 /nfs/dbraw/zinc/04/00/80/868040080.db2.gz MHZWAHJEYTWDGL-VOTSOKGWSA-N -1 3 384.299 3.714 20 0 GHADHM Cc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000620939905 868224317 /nfs/dbraw/zinc/22/43/17/868224317.db2.gz NXCIGAZGIIWYCV-OAHLLOKOSA-N -1 3 381.501 3.829 20 0 GHADHM CCc1cccc(CC)c1NC(=O)Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000445312384 868244705 /nfs/dbraw/zinc/24/47/05/868244705.db2.gz CCBCSVZEKKFJQI-UHFFFAOYSA-N -1 3 381.432 3.757 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000156404424 868356810 /nfs/dbraw/zinc/35/68/10/868356810.db2.gz WLFVPUPCOUKPJQ-QFIPXVFZSA-N -1 3 381.520 3.785 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCCc2ccccc2CC1 ZINC000640297204 882185919 /nfs/dbraw/zinc/18/59/19/882185919.db2.gz HPYPAHMEKASPED-UHFFFAOYSA-N -1 3 386.805 3.544 20 0 GHADHM CC(C)N1CCN(c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)CC1 ZINC000445478660 868503930 /nfs/dbraw/zinc/50/39/30/868503930.db2.gz HRZXQLXNIVMEEI-UHFFFAOYSA-N -1 3 382.439 3.779 20 0 GHADHM O=C([O-])c1ccccc1OCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000183928921 868697733 /nfs/dbraw/zinc/69/77/33/868697733.db2.gz BHHXBSLNOCBVQC-LJQANCHMSA-N -1 3 381.428 3.592 20 0 GHADHM CC(C)Oc1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1Cl ZINC000648432949 882220456 /nfs/dbraw/zinc/22/04/56/882220456.db2.gz NPXUHQPOLFDDIR-UHFFFAOYSA-N -1 3 397.184 3.609 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432871 882220648 /nfs/dbraw/zinc/22/06/48/882220648.db2.gz KVKMCQASUICYIU-LLVKDONJSA-N -1 3 375.778 3.564 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648433357 882222841 /nfs/dbraw/zinc/22/28/41/882222841.db2.gz ZAVNENMHDAKZAD-VIFPVBQESA-N -1 3 393.818 3.649 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)sc1Br ZINC000554180975 868868532 /nfs/dbraw/zinc/86/85/32/868868532.db2.gz HILRFNCYCIZKHZ-VXGBXAGGSA-N -1 3 396.372 3.691 20 0 GHADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2C1 ZINC000544404802 868905264 /nfs/dbraw/zinc/90/52/64/868905264.db2.gz PJRSDSYIWGIDCX-OAHLLOKOSA-N -1 3 386.517 3.927 20 0 GHADHM Cc1[nH]nc2ncc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc12 ZINC000744785265 869075984 /nfs/dbraw/zinc/07/59/84/869075984.db2.gz IPBHBNMKHLGRHK-SECBINFHSA-N -1 3 383.433 3.511 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(Cl)c1N(C)C)c2=O ZINC000539415787 869122463 /nfs/dbraw/zinc/12/24/63/869122463.db2.gz UAKBCEFJUVXFJF-UHFFFAOYSA-N -1 3 389.814 3.648 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)NC1CCCCC1 ZINC000857442906 882266805 /nfs/dbraw/zinc/26/68/05/882266805.db2.gz ZRJRINCEAVXVSZ-UHFFFAOYSA-N -1 3 379.234 3.650 20 0 GHADHM O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cccc(Br)c1[O-] ZINC000744976378 869205591 /nfs/dbraw/zinc/20/55/91/869205591.db2.gz JQOYKFUPMUEZLX-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462335981 869271407 /nfs/dbraw/zinc/27/14/07/869271407.db2.gz ZFLUEPMOWYHTLD-FVMDXXJSSA-N -1 3 393.814 3.812 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000737565399 869352280 /nfs/dbraw/zinc/35/22/80/869352280.db2.gz YNJQLPDMXSZINH-JQWIXIFHSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c(-c2nn[n-]n2)c1C ZINC000737565399 869352290 /nfs/dbraw/zinc/35/22/90/869352290.db2.gz YNJQLPDMXSZINH-JQWIXIFHSA-N -1 3 375.404 3.565 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H]2CCO[C@H]21 ZINC000524637445 869379381 /nfs/dbraw/zinc/37/93/81/869379381.db2.gz FFSPTIOKJLLCLJ-NWANDNLSSA-N -1 3 398.937 3.555 20 0 GHADHM Cc1nc2cc(C[N-]S(=O)(=O)c3cc(F)c(F)cc3F)ccc2n1C1CC1 ZINC000550826968 882295062 /nfs/dbraw/zinc/29/50/62/882295062.db2.gz JEAKOGPFBGTHPV-UHFFFAOYSA-N -1 3 395.406 3.575 20 0 GHADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000745348063 869488261 /nfs/dbraw/zinc/48/82/61/869488261.db2.gz BCCYZMSPOWBZNF-UHFFFAOYSA-N -1 3 393.823 3.731 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Cc1cccs1 ZINC000462484609 869527251 /nfs/dbraw/zinc/52/72/51/869527251.db2.gz KQEQKFIDUKHOET-VIFPVBQESA-N -1 3 380.354 3.729 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000462500824 869581466 /nfs/dbraw/zinc/58/14/66/869581466.db2.gz JSVOMVBUNMNUCP-GXTWGEPZSA-N -1 3 386.336 3.729 20 0 GHADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000446301482 869674693 /nfs/dbraw/zinc/67/46/93/869674693.db2.gz ZEZJCICHFWOPQG-SFHVURJKSA-N -1 3 392.858 3.760 20 0 GHADHM O=S(=O)([N-][C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(F)cc1F ZINC000462634066 869800495 /nfs/dbraw/zinc/80/04/95/869800495.db2.gz ZLBBUYDRJBTTRP-NSHDSACASA-N -1 3 380.199 3.684 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Br)c(Cl)c1 ZINC000505125573 869847048 /nfs/dbraw/zinc/84/70/48/869847048.db2.gz OMRJRASCHCNTKC-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Br)c(Cl)c1 ZINC000505125573 869847059 /nfs/dbraw/zinc/84/70/59/869847059.db2.gz OMRJRASCHCNTKC-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])NCC(F)(F)F ZINC000746080714 869998621 /nfs/dbraw/zinc/99/86/21/869998621.db2.gz ZKEQFSKHDQBEJF-UHFFFAOYSA-N -1 3 387.741 3.548 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC000525220448 870190073 /nfs/dbraw/zinc/19/00/73/870190073.db2.gz QPLVNASNKSTGDN-RBSFLKMASA-N -1 3 395.525 3.547 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000525235451 870227387 /nfs/dbraw/zinc/22/73/87/870227387.db2.gz ANKSXONPXSCISH-UHFFFAOYSA-N -1 3 377.326 3.828 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000525235451 870227394 /nfs/dbraw/zinc/22/73/94/870227394.db2.gz ANKSXONPXSCISH-UHFFFAOYSA-N -1 3 377.326 3.828 20 0 GHADHM COC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000920836233 882402369 /nfs/dbraw/zinc/40/23/69/882402369.db2.gz DFAYHKAJZNQACF-UHFFFAOYSA-N -1 3 393.403 3.980 20 0 GHADHM CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000248428582 870408279 /nfs/dbraw/zinc/40/82/79/870408279.db2.gz RUXGNTAXGPSUIT-ZLGUVYLKSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3SCCc4sccc43)cc2)n1 ZINC000173827108 882408032 /nfs/dbraw/zinc/40/80/32/882408032.db2.gz VYCJLDKPIWYLDX-KRWDZBQOSA-N -1 3 383.498 3.776 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)c1 ZINC001192836549 870720908 /nfs/dbraw/zinc/72/09/08/870720908.db2.gz JWJZZAQLAJSFOO-INIZCTEOSA-N -1 3 389.395 3.545 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1Cl)c1cnccc1Cl ZINC001192930374 870795660 /nfs/dbraw/zinc/79/56/60/870795660.db2.gz XBMXYBSCCYFFJS-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236604387 882445632 /nfs/dbraw/zinc/44/56/32/882445632.db2.gz ADDAKJAZEPBZDA-HXUWFJFHSA-N -1 3 380.488 3.588 20 0 GHADHM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193152760 870923090 /nfs/dbraw/zinc/92/30/90/870923090.db2.gz HJIYCBWZUPZHOC-HNNXBMFYSA-N -1 3 391.265 3.673 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1nnc2ccccc2c1[O-] ZINC000793880612 882457391 /nfs/dbraw/zinc/45/73/91/882457391.db2.gz SGMUAOQIZBUZDA-UHFFFAOYSA-N -1 3 384.386 3.856 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CSCc1ccc(Cl)cc1Cl)C2 ZINC001168938499 871022959 /nfs/dbraw/zinc/02/29/59/871022959.db2.gz IDCKDTXQBMNPHB-UHFFFAOYSA-N -1 3 384.288 3.573 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc3ccc(Br)cc3s1)C2 ZINC001168939334 871025584 /nfs/dbraw/zinc/02/55/84/871025584.db2.gz PBMUIIHKXFGBDD-UHFFFAOYSA-N -1 3 390.262 3.624 20 0 GHADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)c(Cl)c2)c1 ZINC000181486767 871084406 /nfs/dbraw/zinc/08/44/06/871084406.db2.gz BNLHSQDSSRRXMU-INIZCTEOSA-N -1 3 383.835 3.793 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CC1CCC1)c1cccnc1Cl ZINC001193468347 871113847 /nfs/dbraw/zinc/11/38/47/871113847.db2.gz SXFLNQJAJHAZFE-UHFFFAOYSA-N -1 3 379.869 3.529 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3cccnc3c2)sc1Br ZINC001193516695 871153662 /nfs/dbraw/zinc/15/36/62/871153662.db2.gz CLJOTHPROUVEBT-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM COc1ccnc(C(=O)N2CCC(Cc3c(F)cccc3Cl)CC2)c1[O-] ZINC001193528786 871159937 /nfs/dbraw/zinc/15/99/37/871159937.db2.gz NBIRKGNEMKPFEY-UHFFFAOYSA-N -1 3 378.831 3.683 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCSC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001193627987 871198097 /nfs/dbraw/zinc/19/80/97/871198097.db2.gz HGXQGKICZREXDG-LLVKDONJSA-N -1 3 388.967 3.885 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nc3ccccc3n2C)c2ccccc2)o1 ZINC000539108794 871282518 /nfs/dbraw/zinc/28/25/18/871282518.db2.gz KSUQGQJJPIRWJA-LJQANCHMSA-N -1 3 381.457 3.543 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Cl)c1cc(F)cc(Br)c1 ZINC001193795220 871282940 /nfs/dbraw/zinc/28/29/40/871282940.db2.gz KAGANQVKPPWAFX-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCN(c2nccc3occc32)CC1 ZINC001193750297 871290438 /nfs/dbraw/zinc/29/04/38/871290438.db2.gz UQSRWCYBFFXFTE-UHFFFAOYSA-N -1 3 391.349 3.515 20 0 GHADHM Cn1cc([C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C(F)(F)F)cn1 ZINC000447270564 871294671 /nfs/dbraw/zinc/29/46/71/871294671.db2.gz INPSVWRMFHATGX-SFHVURJKSA-N -1 3 389.377 3.750 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447280435 871309212 /nfs/dbraw/zinc/30/92/12/871309212.db2.gz WKIIRLIEGVWGDA-UHFFFAOYSA-N -1 3 391.342 3.960 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC001193893185 871382127 /nfs/dbraw/zinc/38/21/27/871382127.db2.gz IOQDVBYXTLQDAI-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC001193893185 871382146 /nfs/dbraw/zinc/38/21/46/871382146.db2.gz IOQDVBYXTLQDAI-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)sc1Br ZINC000149835043 871451908 /nfs/dbraw/zinc/45/19/08/871451908.db2.gz VZKFDSWTKJOATI-SNVBAGLBSA-N -1 3 378.313 3.712 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccc(F)c(Br)c1 ZINC001194092620 871499823 /nfs/dbraw/zinc/49/98/23/871499823.db2.gz OEOOVZIGMNYHOH-UHFFFAOYSA-N -1 3 385.214 3.671 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066022 871513923 /nfs/dbraw/zinc/51/39/23/871513923.db2.gz GGZLNHKUIWLJGE-WPPNPWJKSA-N -1 3 381.372 3.707 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc3c(Cl)cccc3c1)C(=O)N2 ZINC001194243742 871582429 /nfs/dbraw/zinc/58/24/29/871582429.db2.gz BACFNTRDPIAERU-SFHVURJKSA-N -1 3 386.860 3.773 20 0 GHADHM COc1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc(OC)c1F ZINC001194309558 871613962 /nfs/dbraw/zinc/61/39/62/871613962.db2.gz DTGJFFUQUMEOAD-UHFFFAOYSA-N -1 3 391.395 3.756 20 0 GHADHM O=C([N-]c1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(-c2ccccn2)no1 ZINC000462117477 871644037 /nfs/dbraw/zinc/64/40/37/871644037.db2.gz BMJGSMONKZLIGO-UHFFFAOYSA-N -1 3 392.396 3.841 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1F ZINC000122367470 882532174 /nfs/dbraw/zinc/53/21/74/882532174.db2.gz FXCXXUVOHLWNOA-JTQLQIEISA-N -1 3 397.378 3.502 20 0 GHADHM CN1CCN(c2ccc(C(=O)Nc3c(Cl)ccc([O-])c3Cl)c(F)c2)CC1 ZINC001194538783 871777378 /nfs/dbraw/zinc/77/73/78/871777378.db2.gz PQDGKBVBVAEKTQ-UHFFFAOYSA-N -1 3 398.265 3.842 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(OC2CCOCC2)c(F)c1 ZINC001194642371 871848609 /nfs/dbraw/zinc/84/86/09/871848609.db2.gz DAPXXAAHEBBWHQ-UHFFFAOYSA-N -1 3 379.453 3.801 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1csc(-c2ccccc2Cl)n1 ZINC000552069794 871974425 /nfs/dbraw/zinc/97/44/25/871974425.db2.gz IQMMLDLRKUXZHM-UHFFFAOYSA-N -1 3 383.658 3.623 20 0 GHADHM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1C ZINC001194864269 871995294 /nfs/dbraw/zinc/99/52/94/871995294.db2.gz JVFZAPBMCFPCIU-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM CSCCCCCCNC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000182199363 872022009 /nfs/dbraw/zinc/02/20/09/872022009.db2.gz YWPYGFZMWQPABW-UHFFFAOYSA-N -1 3 378.325 3.861 20 0 GHADHM O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc(-c2ccco2)[n-]n1 ZINC000921089501 882574959 /nfs/dbraw/zinc/57/49/59/882574959.db2.gz XEWOCEWPDCOBEI-UHFFFAOYSA-N -1 3 392.390 3.840 20 0 GHADHM O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc(-c2ccco2)n[n-]1 ZINC000921089501 882574975 /nfs/dbraw/zinc/57/49/75/882574975.db2.gz XEWOCEWPDCOBEI-UHFFFAOYSA-N -1 3 392.390 3.840 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000526055360 872054393 /nfs/dbraw/zinc/05/43/93/872054393.db2.gz FLGKVMNAXZAZDX-LJQANCHMSA-N -1 3 379.378 3.732 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1F ZINC001194961141 872056576 /nfs/dbraw/zinc/05/65/76/872056576.db2.gz XIPYSBMHKFPPTR-UHFFFAOYSA-N -1 3 391.449 3.573 20 0 GHADHM Cc1ccc(OC(C)C)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001194981716 872085454 /nfs/dbraw/zinc/08/54/54/872085454.db2.gz LTAPWUFANBVBCF-UHFFFAOYSA-N -1 3 380.441 3.545 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(F)(F)F ZINC000402239669 872208561 /nfs/dbraw/zinc/20/85/61/872208561.db2.gz CYTLBCQEVRZTGF-QMMMGPOBSA-N -1 3 392.212 3.845 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(Cl)cc1 ZINC001195168562 872228689 /nfs/dbraw/zinc/22/86/89/872228689.db2.gz GJFRZOLWEIBHMO-KRWDZBQOSA-N -1 3 381.881 3.656 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)o1 ZINC001195408597 872368076 /nfs/dbraw/zinc/36/80/76/872368076.db2.gz LCAUIVIODKTMQW-UHFFFAOYSA-N -1 3 382.638 3.622 20 0 GHADHM O=C(Nc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1)c1ccc(Cl)cc1 ZINC000540923711 872469683 /nfs/dbraw/zinc/46/96/83/872469683.db2.gz CULHVNOFZUHERB-UHFFFAOYSA-N -1 3 396.882 3.665 20 0 GHADHM CCc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cnn1-c1ccccc1C ZINC000447890810 872483363 /nfs/dbraw/zinc/48/33/63/872483363.db2.gz MMHLPYFGTBKGGF-UHFFFAOYSA-N -1 3 377.370 3.870 20 0 GHADHM Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1ccccc1[O-] ZINC000540954221 872560153 /nfs/dbraw/zinc/56/01/53/872560153.db2.gz LRCMZWFEAZDFNW-IBGZPJMESA-N -1 3 395.434 3.548 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1OC(C)C ZINC000463786452 872603894 /nfs/dbraw/zinc/60/38/94/872603894.db2.gz KQPPVZXBADRDDM-UHFFFAOYSA-N -1 3 377.462 3.608 20 0 GHADHM CC(C)O[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000463807742 872624405 /nfs/dbraw/zinc/62/44/05/872624405.db2.gz VPQMAZBHRDFLAE-LSDHHAIUSA-N -1 3 385.302 3.546 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)[n-]1 ZINC000619449404 872636868 /nfs/dbraw/zinc/63/68/68/872636868.db2.gz FYGQUUSZUGQWLK-UHFFFAOYSA-N -1 3 394.362 3.786 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c[n-]1 ZINC000619449404 872636875 /nfs/dbraw/zinc/63/68/75/872636875.db2.gz FYGQUUSZUGQWLK-UHFFFAOYSA-N -1 3 394.362 3.786 20 0 GHADHM Cc1ccc(-c2csc([N-]c3ncnc4c3cnn4-c3ncccn3)n2)cc1 ZINC000163093410 872641229 /nfs/dbraw/zinc/64/12/29/872641229.db2.gz NPSMOMVPFNOUHC-UHFFFAOYSA-N -1 3 386.444 3.781 20 0 GHADHM COc1cc(C(=O)OCc2ccn(-c3ccc(Cl)cc3)n2)cc(OC)c1[O-] ZINC000767585228 872646275 /nfs/dbraw/zinc/64/62/75/872646275.db2.gz RFADTBFUCPNJRM-UHFFFAOYSA-N -1 3 388.807 3.606 20 0 GHADHM COc1ccccc1-n1cnc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001195816638 872652922 /nfs/dbraw/zinc/65/29/22/872652922.db2.gz RKTMQMUMUDLRBP-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000640303001 882638124 /nfs/dbraw/zinc/63/81/24/882638124.db2.gz WCEHUYUQMJFOTB-MGCOHNPYSA-N -1 3 390.768 3.728 20 0 GHADHM O=S(=O)(Nc1cc(F)c(Br)cc1Cl)c1ccc([O-])cc1 ZINC001195805238 872675039 /nfs/dbraw/zinc/67/50/39/872675039.db2.gz BYHBZWUBJSSKRT-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM O=S(=O)(Nc1ccc2cnccc2c1Br)c1ccc([O-])cc1 ZINC001195807743 872678612 /nfs/dbraw/zinc/67/86/12/872678612.db2.gz SUDBXILAOHCYML-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM c1csc(-c2csc([N-]c3ncnc4c3cnn4-c3ncccn3)n2)c1 ZINC000163098007 872683769 /nfs/dbraw/zinc/68/37/69/872683769.db2.gz DKBKQKHYERDZMJ-UHFFFAOYSA-N -1 3 378.446 3.534 20 0 GHADHM Cn1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc1OC(F)F ZINC000191851588 882640869 /nfs/dbraw/zinc/64/08/69/882640869.db2.gz KDDZKZPXEGVJOB-UHFFFAOYSA-N -1 3 391.359 3.539 20 0 GHADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3sc(N(C)C)nc3s2)c1 ZINC000182743603 872726721 /nfs/dbraw/zinc/72/67/21/872726721.db2.gz BXOGJMGJHPUFGF-GFCCVEGCSA-N -1 3 384.486 3.693 20 0 GHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3sc(N(C)C)nc3s2)cc1 ZINC000182753876 872756547 /nfs/dbraw/zinc/75/65/47/872756547.db2.gz LTQTUPRFAGHFJD-ZDUSSCGKSA-N -1 3 398.513 3.947 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)n1 ZINC000070720127 872779092 /nfs/dbraw/zinc/77/90/92/872779092.db2.gz XTAOBQLZBJNTNY-UHFFFAOYSA-N -1 3 394.660 3.748 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccc(F)c(F)c1 ZINC000191878968 882652218 /nfs/dbraw/zinc/65/22/18/882652218.db2.gz BFOXTYILFUNBRT-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM COc1nc2ccc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)cc2s1 ZINC000552547294 872817358 /nfs/dbraw/zinc/81/73/58/872817358.db2.gz ULMNSARLEMXGLR-UHFFFAOYSA-N -1 3 399.403 3.546 20 0 GHADHM O=S(=O)([N-]Cc1cccc2sccc21)c1ccc(Br)cn1 ZINC001196182471 872936381 /nfs/dbraw/zinc/93/63/81/872936381.db2.gz QPDKLKISTHUBLY-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM C[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000151601854 872948025 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COc1cc(Cl)c(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1OC ZINC000775934374 874794670 /nfs/dbraw/zinc/79/46/70/874794670.db2.gz WTNVGUMEZAGBKI-UHFFFAOYSA-N -1 3 385.199 3.756 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000652986554 882871406 /nfs/dbraw/zinc/87/14/06/882871406.db2.gz WMONMHNPUHWGOD-UHFFFAOYSA-N -1 3 378.350 3.789 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000528679220 874877452 /nfs/dbraw/zinc/87/74/52/874877452.db2.gz IKRXVFVYGAZNAF-HNNXBMFYSA-N -1 3 390.277 3.834 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1nccn1Cc1ccccc1F ZINC001199467029 874991991 /nfs/dbraw/zinc/99/19/91/874991991.db2.gz IGWDUPDTXPQBDH-UHFFFAOYSA-N -1 3 390.212 3.791 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(CCCn4ccnc4)CC3)nc2)n1 ZINC000542121121 875003984 /nfs/dbraw/zinc/00/39/84/875003984.db2.gz MERIPPHWCBFRIU-UHFFFAOYSA-N -1 3 392.507 3.700 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cnc(OCC(C)C)c(Cl)c3)n[n-]2)o1 ZINC000542168862 875072775 /nfs/dbraw/zinc/07/27/75/875072775.db2.gz 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O=C(COC(=O)C1(c2cccc(F)c2)CCCCC1)[N-]C(=O)c1cccs1 ZINC000064175528 875632609 /nfs/dbraw/zinc/63/26/09/875632609.db2.gz DBQRLONYMVMZRU-UHFFFAOYSA-N -1 3 389.448 3.589 20 0 GHADHM O=c1cc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001201346408 875651947 /nfs/dbraw/zinc/65/19/47/875651947.db2.gz YUQRDZCYQKVUOZ-UHFFFAOYSA-N -1 3 393.774 3.533 20 0 GHADHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000005694126 875855164 /nfs/dbraw/zinc/85/51/64/875855164.db2.gz YYKACHIXZSRGMG-MRXNPFEDSA-N -1 3 375.424 3.843 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1cccc(F)c1 ZINC001201800846 875868840 /nfs/dbraw/zinc/86/88/40/875868840.db2.gz HTOGIQCWSOXXSG-GOSISDBHSA-N -1 3 393.480 3.560 20 0 GHADHM O=S(=O)([N-]C1CCc2ccccc2CC1)c1cccc(F)c1Br ZINC001201788999 875883690 /nfs/dbraw/zinc/88/36/90/875883690.db2.gz AHJKMOAOPPZHOW-UHFFFAOYSA-N -1 3 398.297 3.814 20 0 GHADHM COc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1Br ZINC000786030934 876418110 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877182954 /nfs/dbraw/zinc/18/29/54/877182954.db2.gz VRNNTNQNXGZEPJ-GOSISDBHSA-N -1 3 394.468 3.694 20 0 GHADHM C[C@H]1[C@H](C(=O)Nc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787153333 877200934 /nfs/dbraw/zinc/20/09/34/877200934.db2.gz MSDLLILGYHXLJH-CMPLNLGQSA-N -1 3 399.285 3.739 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787314265 877340444 /nfs/dbraw/zinc/34/04/44/877340444.db2.gz GMJQHFMVIFXWQY-JKSUJKDBSA-N -1 3 394.487 3.806 20 0 GHADHM O=C(N[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)c1cc2ccccc2o1 ZINC000551553073 877422651 /nfs/dbraw/zinc/42/26/51/877422651.db2.gz PRFSEJAQOXUIDQ-CQSZACIVSA-N -1 3 398.846 3.826 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1 ZINC000551564258 877442506 /nfs/dbraw/zinc/44/25/06/877442506.db2.gz HWNFKHCVKIXSAG-NVXWUHKLSA-N -1 3 398.912 3.575 20 0 GHADHM O=c1[n-]nc(SCc2cc3ccccc3c(Cl)n2)n1C[C@H]1CCCO1 ZINC000787489158 877449095 /nfs/dbraw/zinc/44/90/95/877449095.db2.gz JQPPCVOOHRVSTC-CYBMUJFWSA-N 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Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c(F)c1 ZINC000787845797 877666526 /nfs/dbraw/zinc/66/65/26/877666526.db2.gz PKOWKFZJQVMSLP-CYBMUJFWSA-N -1 3 377.387 3.872 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847152 877667861 /nfs/dbraw/zinc/66/78/61/877667861.db2.gz YESZCSVPDNQXKA-AWEZNQCLSA-N -1 3 389.423 3.741 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000787848910 877669919 /nfs/dbraw/zinc/66/99/19/877669919.db2.gz QKUZQIYNFYIUSA-GOSISDBHSA-N -1 3 391.826 3.856 20 0 GHADHM CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000027091898 877726547 /nfs/dbraw/zinc/72/65/47/877726547.db2.gz NFLVFPGDPOHHEI-CQSZACIVSA-N -1 3 378.469 3.853 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)no1 ZINC000451421184 877950799 /nfs/dbraw/zinc/95/07/99/877950799.db2.gz QCALMVOATYWVTF-UHFFFAOYSA-N -1 3 392.452 3.761 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1)c1ccccc1 ZINC000788269737 877985365 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COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C)c(C)c1Cl ZINC000788664489 878258477 /nfs/dbraw/zinc/25/84/77/878258477.db2.gz WTKDOGGEYWYAHM-VIFPVBQESA-N -1 3 399.987 3.553 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)sc1Br ZINC000451664333 878310540 /nfs/dbraw/zinc/31/05/40/878310540.db2.gz OLIIJQIOIQCJTO-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000615953350 878333114 /nfs/dbraw/zinc/33/31/14/878333114.db2.gz SSIDKWQWCRSWBS-QGZVFWFLSA-N -1 3 375.472 3.535 20 0 GHADHM O=C([N-]c1nncn1C1CC1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000285575657 912346495 /nfs/dbraw/zinc/34/64/95/912346495.db2.gz AOTCEZPMUCVTGJ-UHFFFAOYSA-N -1 3 394.218 3.739 20 0 GHADHM O=C(N=c1nc(-c2ccccc2)[n-]s1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000530865359 878660666 /nfs/dbraw/zinc/66/06/66/878660666.db2.gz INVXEKJNTHCCJM-SFHVURJKSA-N -1 3 393.516 3.586 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000538009939 878665400 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20 0 GHADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616823273 879131088 /nfs/dbraw/zinc/13/10/88/879131088.db2.gz KQSNDAGWJHXQOR-LBPRGKRZSA-N -1 3 390.654 3.661 20 0 GHADHM COc1ccccc1N1CC[C@H](CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646789153 879210722 /nfs/dbraw/zinc/21/07/22/879210722.db2.gz NXGSTERNZRWHLM-CYBMUJFWSA-N -1 3 394.393 3.676 20 0 GHADHM CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c1C ZINC000461127655 879225103 /nfs/dbraw/zinc/22/51/03/879225103.db2.gz KPPZVNOROKXDNH-UHFFFAOYSA-N -1 3 386.315 3.700 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-c3cnco3)cc2)c(C(=O)OCC)[n-]1 ZINC000616917244 879265882 /nfs/dbraw/zinc/26/58/82/879265882.db2.gz GXZRZDBHVNYADG-UHFFFAOYSA-N -1 3 382.420 3.836 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000853770699 879272486 /nfs/dbraw/zinc/27/24/86/879272486.db2.gz HEPUHOMREQLXMQ-MSOLQXFVSA-N -1 3 380.847 3.742 20 0 GHADHM Cc1nc(NC(=O)c2nnc3ccccc3c2[O-])sc1Cc1ccc(F)cc1 ZINC000111572764 879275647 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CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)CCC2 ZINC000914347153 879682121 /nfs/dbraw/zinc/68/21/21/879682121.db2.gz CUIIXRJVEQYKJS-GFCCVEGCSA-N -1 3 375.466 3.819 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)s1 ZINC000493896163 879725560 /nfs/dbraw/zinc/72/55/60/879725560.db2.gz DIRWMCBUZQVBDM-ZCFIWIBFSA-N -1 3 385.820 3.558 20 0 GHADHM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001212306404 879914755 /nfs/dbraw/zinc/91/47/55/879914755.db2.gz CWGHMFDSJIFCGQ-AUUYWEPGSA-N -1 3 388.514 3.519 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)cc1Br ZINC000181159103 879992865 /nfs/dbraw/zinc/99/28/65/879992865.db2.gz BUCHONZDADRMKZ-UHFFFAOYSA-N -1 3 399.310 3.633 20 0 GHADHM CC(C)(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCC1 ZINC000452785857 880030185 /nfs/dbraw/zinc/03/01/85/880030185.db2.gz OYKNMJJTXNXFAH-UHFFFAOYSA-N -1 3 393.484 3.511 20 0 GHADHM COc1cc(C(=O)NCc2nn(CCC(C)C)c3ccccc23)cc(OC)c1[O-] ZINC000452791794 880039586 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)n1 ZINC000185377283 880559499 /nfs/dbraw/zinc/55/94/99/880559499.db2.gz YUXFUYGVZUECJB-UHFFFAOYSA-N -1 3 390.374 3.792 20 0 GHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc(-c4c(F)cccc4Cl)s3)c2n1 ZINC000186089363 880783733 /nfs/dbraw/zinc/78/37/33/880783733.db2.gz CWGQVBQRJLUXQB-UHFFFAOYSA-N -1 3 388.815 3.601 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000186103855 880787351 /nfs/dbraw/zinc/78/73/51/880787351.db2.gz MAVBAIDRKWSTJH-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000186103855 880787362 /nfs/dbraw/zinc/78/73/62/880787362.db2.gz MAVBAIDRKWSTJH-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c2ccccc21 ZINC001183510253 912606391 /nfs/dbraw/zinc/60/63/91/912606391.db2.gz WATAWELUADIQHJ-CYBMUJFWSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c2ccccc21 ZINC001183510253 912606414 /nfs/dbraw/zinc/60/64/14/912606414.db2.gz WATAWELUADIQHJ-CYBMUJFWSA-N -1 3 375.407 3.579 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1(C)C ZINC000643325579 912630419 /nfs/dbraw/zinc/63/04/19/912630419.db2.gz UVMJVKCUFULCMS-KOLCDFICSA-N -1 3 394.235 3.807 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2)cc(=O)[n-]1 ZINC000532073644 881078881 /nfs/dbraw/zinc/07/88/81/881078881.db2.gz JUUDYNJNSIKLLJ-GOSISDBHSA-N -1 3 396.472 3.825 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000119670244 881091131 /nfs/dbraw/zinc/09/11/31/881091131.db2.gz HDXLIRADCBSLIT-FQEVSTJZSA-N -1 3 395.503 3.647 20 0 GHADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792486076 881141842 /nfs/dbraw/zinc/14/18/42/881141842.db2.gz JJZCAVFXVGNUQB-LBPRGKRZSA-N -1 3 399.451 3.659 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000119923783 881173541 /nfs/dbraw/zinc/17/35/41/881173541.db2.gz PKMMWELVMTXCRD-ZDUSSCGKSA-N -1 3 395.500 3.899 20 0 GHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000919949317 881197158 /nfs/dbraw/zinc/19/71/58/881197158.db2.gz QWODDWIMEINOSG-RKDXNWHRSA-N -1 3 384.723 3.824 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001129729553 883138029 /nfs/dbraw/zinc/13/80/29/883138029.db2.gz ZEZLJEMNLNCZNF-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001129729553 883138035 /nfs/dbraw/zinc/13/80/35/883138035.db2.gz ZEZLJEMNLNCZNF-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=c1nc(NC2CCN(Cc3cccc(Br)c3)CC2)cc(Cl)[n-]1 ZINC000858571416 883206161 /nfs/dbraw/zinc/20/61/61/883206161.db2.gz FOWDYPPXOHHGLY-UHFFFAOYSA-N -1 3 397.704 3.675 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182880783 883245970 /nfs/dbraw/zinc/24/59/70/883245970.db2.gz NZLNGXQDFBGWNW-SFHVURJKSA-N -1 3 382.460 3.773 20 0 GHADHM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2ccc3ccccc3c2)CCc2ccccc21 ZINC000609615262 883458711 /nfs/dbraw/zinc/45/87/11/883458711.db2.gz PSWJRZBLGJUXEK-JOCHJYFZSA-N -1 3 395.480 3.523 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209813 883488076 /nfs/dbraw/zinc/48/80/76/883488076.db2.gz ZCNRZWAOMQQRFZ-MNOVXSKESA-N -1 3 396.734 3.586 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000064478319 883501507 /nfs/dbraw/zinc/50/15/07/883501507.db2.gz VDWCASTXGJHQNS-STQMWFEESA-N -1 3 398.887 3.894 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000805022325 883537973 /nfs/dbraw/zinc/53/79/73/883537973.db2.gz OTJORCGGQZSGFB-YOEHRIQHSA-N -1 3 398.887 3.629 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805006950 883549389 /nfs/dbraw/zinc/54/93/89/883549389.db2.gz AFSWHOCAHLRXJP-XPTSAGLGSA-N -1 3 393.267 3.582 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)sc1Cl ZINC000805121697 883593255 /nfs/dbraw/zinc/59/32/55/883593255.db2.gz IABRTSBJBTUWGZ-LLVKDONJSA-N -1 3 399.843 3.741 20 0 GHADHM Cc1ccccc1[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130086985 883609606 /nfs/dbraw/zinc/60/96/06/883609606.db2.gz KNJZIAKJRWDLKG-GOEBONIOSA-N -1 3 390.405 3.735 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001183659511 912744097 /nfs/dbraw/zinc/74/40/97/912744097.db2.gz YRSCZHJTYMKVFE-NRFANRHFSA-N -1 3 377.481 3.765 20 0 GHADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cccc(Cl)c3F)o2)cs1 ZINC000477132625 883758092 /nfs/dbraw/zinc/75/80/92/883758092.db2.gz KMBJMIBRRPONON-UHFFFAOYSA-N -1 3 386.857 3.983 20 0 GHADHM COc1cc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc(OC)c1[O-] ZINC000188523428 883855914 /nfs/dbraw/zinc/85/59/14/883855914.db2.gz VVFXPUMHTHOVBD-UHFFFAOYSA-N -1 3 396.443 3.879 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000130086087 884151695 /nfs/dbraw/zinc/15/16/95/884151695.db2.gz BAGSWVQXVHECEO-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000130086087 884151704 /nfs/dbraw/zinc/15/17/04/884151704.db2.gz BAGSWVQXVHECEO-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM CCCCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533681 884180930 /nfs/dbraw/zinc/18/09/30/884180930.db2.gz JJTUOKUSSILNBJ-LLVKDONJSA-N -1 3 391.518 3.783 20 0 GHADHM O=C([N-]S(=O)(=O)c1cccc2ccccc21)c1cccc(CN2CCCC2)c1 ZINC000805925091 884225294 /nfs/dbraw/zinc/22/52/94/884225294.db2.gz DJTQJNNQACDNHI-UHFFFAOYSA-N -1 3 394.496 3.554 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1Cl ZINC000747287669 884270775 /nfs/dbraw/zinc/27/07/75/884270775.db2.gz PPYFVAYPWJFVEW-UHFFFAOYSA-N -1 3 396.727 3.600 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000192637357 884273472 /nfs/dbraw/zinc/27/34/72/884273472.db2.gz USHYGTXOELZDAE-LLVKDONJSA-N -1 3 376.338 3.548 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F ZINC000533910342 884290867 /nfs/dbraw/zinc/29/08/67/884290867.db2.gz XLFWRHWDTGZTSK-GFCCVEGCSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1C ZINC000914599574 884306004 /nfs/dbraw/zinc/30/60/04/884306004.db2.gz JDUORKITEOPCJB-UHFFFAOYSA-N -1 3 378.469 3.772 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000914609764 884326420 /nfs/dbraw/zinc/32/64/20/884326420.db2.gz KAFVDDNCXOXHFH-QGZVFWFLSA-N -1 3 392.496 3.784 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)ccc1F ZINC000729836830 884391564 /nfs/dbraw/zinc/39/15/64/884391564.db2.gz VUGIQDSGCBGUIF-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000729838001 884404149 /nfs/dbraw/zinc/40/41/49/884404149.db2.gz KPHMEULQAOVCHL-BUYIWHAFSA-N -1 3 388.489 3.887 20 0 GHADHM Cc1ccncc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556329498 884490445 /nfs/dbraw/zinc/49/04/45/884490445.db2.gz WBDLRVNHBALMBP-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000914714979 884592745 /nfs/dbraw/zinc/59/27/45/884592745.db2.gz NXQYRHKBBIXIIS-AWEZNQCLSA-N -1 3 392.496 3.566 20 0 GHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211088 884633444 /nfs/dbraw/zinc/63/34/44/884633444.db2.gz LWKWXHQULDPQBI-SECBINFHSA-N -1 3 396.394 3.682 20 0 GHADHM O=C(c1sc(-c2ccccc2)nc1C(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217063 884635797 /nfs/dbraw/zinc/63/57/97/884635797.db2.gz BWSSCDHKAVOPFP-NSHDSACASA-N -1 3 390.415 3.806 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)coc21 ZINC000898220990 884637237 /nfs/dbraw/zinc/63/72/37/884637237.db2.gz GVVMGCMEORGSSF-SNVBAGLBSA-N -1 3 390.237 3.562 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221389 884643560 /nfs/dbraw/zinc/64/35/60/884643560.db2.gz MFCSOQYMAXGPTG-LLVKDONJSA-N -1 3 386.839 3.616 20 0 GHADHM O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222231 884676138 /nfs/dbraw/zinc/67/61/38/884676138.db2.gz SLWFVOZWNSQSEK-IBGZPJMESA-N -1 3 375.472 3.533 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000898262384 884683775 /nfs/dbraw/zinc/68/37/75/884683775.db2.gz UUHQHQTVUIRVHZ-UHFFFAOYSA-N -1 3 385.773 3.511 20 0 GHADHM C[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(Oc2cccnc2)cc1 ZINC000806554683 884807537 /nfs/dbraw/zinc/80/75/37/884807537.db2.gz XWDHYILOHMTESU-XWCAUFEOSA-N -1 3 385.423 3.836 20 0 GHADHM CCn1nc(C)c(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1C ZINC000795824564 912876576 /nfs/dbraw/zinc/87/65/76/912876576.db2.gz XXJKHGYOOWCQDQ-GFCCVEGCSA-N -1 3 388.493 3.694 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CCC(=O)c3ccccc32)c(C(=O)OCC)[n-]1 ZINC000556437425 884920546 /nfs/dbraw/zinc/92/05/46/884920546.db2.gz KCNLAUDGUSSWNN-HNNXBMFYSA-N -1 3 383.448 3.628 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000860805738 885017035 /nfs/dbraw/zinc/01/70/35/885017035.db2.gz WWZIDOQYDZUGEW-USXIJHARSA-N -1 3 376.225 3.722 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCC3CCCC3)c2)c1 ZINC000914866907 885062623 /nfs/dbraw/zinc/06/26/23/885062623.db2.gz PRXTYNVBADDUDZ-UHFFFAOYSA-N -1 3 398.459 3.582 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Br)cc1Cl ZINC000747369333 885207879 /nfs/dbraw/zinc/20/78/79/885207879.db2.gz PUDXFQOXDIQARK-UHFFFAOYSA-N -1 3 398.688 3.960 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n[n-]2)o1 ZINC000919325394 885334818 /nfs/dbraw/zinc/33/48/18/885334818.db2.gz MYDWRINNADSQIY-CHWSQXEVSA-N -1 3 385.395 3.540 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)[n-]n2)o1 ZINC000919325394 885334833 /nfs/dbraw/zinc/33/48/33/885334833.db2.gz MYDWRINNADSQIY-CHWSQXEVSA-N -1 3 385.395 3.540 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)Nc3ccccc3F)C(C)C)n[n-]2)o1 ZINC000919329580 885347437 /nfs/dbraw/zinc/34/74/37/885347437.db2.gz QKRIHRUYMGLEDR-GOSISDBHSA-N -1 3 385.395 3.937 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)Nc3ccccc3F)C(C)C)[n-]n2)o1 ZINC000919329580 885347463 /nfs/dbraw/zinc/34/74/63/885347463.db2.gz QKRIHRUYMGLEDR-GOSISDBHSA-N -1 3 385.395 3.937 20 0 GHADHM Cn1c(=O)sc2cc(CN3CCC(c4ccccc4C(=O)[O-])CC3)ccc21 ZINC000666586242 885361632 /nfs/dbraw/zinc/36/16/32/885361632.db2.gz OPKGXLGKMPXYKU-UHFFFAOYSA-N -1 3 382.485 3.678 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[O-] ZINC000666900497 885429054 /nfs/dbraw/zinc/42/90/54/885429054.db2.gz FQUQCNMUMSPCHT-LJQANCHMSA-N -1 3 377.444 3.849 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCc1ncccc1[O-] ZINC000807449350 885449866 /nfs/dbraw/zinc/44/98/66/885449866.db2.gz PMSIVRLCEKSTBO-SFHVURJKSA-N -1 3 399.491 3.696 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)cc1Cl ZINC000104732167 885592251 /nfs/dbraw/zinc/59/22/51/885592251.db2.gz UYUXPERQPRNKNY-GFCCVEGCSA-N -1 3 398.887 3.737 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000104738205 885594296 /nfs/dbraw/zinc/59/42/96/885594296.db2.gz LBJCCXUOPQBFTL-JQWIXIFHSA-N -1 3 376.881 3.542 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cccc(F)n1 ZINC000154989328 885756960 /nfs/dbraw/zinc/75/69/60/885756960.db2.gz VFEWPFUTESJQMI-UHFFFAOYSA-N -1 3 379.214 3.754 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc2c(c1)CCO2 ZINC000108639599 885780652 /nfs/dbraw/zinc/78/06/52/885780652.db2.gz IGMWGMZSSDEYJH-UHFFFAOYSA-N -1 3 395.484 3.622 20 0 GHADHM O=C1OCc2c1cccc2[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000808127149 886003747 /nfs/dbraw/zinc/00/37/47/886003747.db2.gz QVSAUXPFCFWRRS-CMDGGOBGSA-N -1 3 394.246 3.532 20 0 GHADHM Cc1sc2nc(SCc3noc(-c4ccccc4[O-])n3)nc(N)c2c1C ZINC000118175441 886166402 /nfs/dbraw/zinc/16/64/02/886166402.db2.gz RCDFXWVBOZJHNX-UHFFFAOYSA-N -1 3 385.474 3.938 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000915286273 886220266 /nfs/dbraw/zinc/22/02/66/886220266.db2.gz LGMAAVMXZCVWPR-UHFFFAOYSA-N -1 3 391.475 3.794 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cc(Cl)ccc1Cl ZINC000762536491 886368849 /nfs/dbraw/zinc/36/88/49/886368849.db2.gz DLAFTZMJIYHEQS-CYBMUJFWSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ncc(Br)cc1F ZINC000808542807 886497103 /nfs/dbraw/zinc/49/71/03/886497103.db2.gz UMNKSHNWCFDXJD-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000173475186 886554292 /nfs/dbraw/zinc/55/42/92/886554292.db2.gz KWICCAPPHUULAB-VGSWGCGISA-N -1 3 376.456 3.734 20 0 GHADHM COc1cc(-c2nc(-c3cccc(Br)c3)no2)cc(OC)c1[O-] ZINC000131888512 886591058 /nfs/dbraw/zinc/59/10/58/886591058.db2.gz IKTKJHXPWNBBNU-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM O=C(OCc1cccc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000915426640 886624291 /nfs/dbraw/zinc/62/42/91/886624291.db2.gz ZEJUKVZELYRNDF-HXUWFJFHSA-N -1 3 375.424 3.893 20 0 GHADHM COc1cccc2c(C(=O)OCc3cc(=O)oc4cc(C)c(C)cc34)n[n-]c21 ZINC000808674480 886670156 /nfs/dbraw/zinc/67/01/56/886670156.db2.gz TUHMMBMBDPQUTF-UHFFFAOYSA-N -1 3 378.384 3.652 20 0 GHADHM COc1cccc2c(C(=O)OCc3cc(=O)oc4cc(C)c(C)cc34)[n-]nc21 ZINC000808674480 886670165 /nfs/dbraw/zinc/67/01/65/886670165.db2.gz TUHMMBMBDPQUTF-UHFFFAOYSA-N -1 3 378.384 3.652 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)n[n-]c21 ZINC000808675451 886670371 /nfs/dbraw/zinc/67/03/71/886670371.db2.gz HAEQMIZJVPFMAI-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000808675451 886670379 /nfs/dbraw/zinc/67/03/79/886670379.db2.gz HAEQMIZJVPFMAI-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(OCc4ccccn4)cc3)n[n-]c21 ZINC000808672813 886670593 /nfs/dbraw/zinc/67/05/93/886670593.db2.gz GRBRBDASGGNMEL-UHFFFAOYSA-N -1 3 389.411 3.903 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(OCc4ccccn4)cc3)[n-]nc21 ZINC000808672813 886670601 /nfs/dbraw/zinc/67/06/01/886670601.db2.gz GRBRBDASGGNMEL-UHFFFAOYSA-N -1 3 389.411 3.903 20 0 GHADHM COc1ccccc1[C@H](C)N(C)C(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000762737886 886773909 /nfs/dbraw/zinc/77/39/09/886773909.db2.gz IXKJRUYENNWXAN-INIZCTEOSA-N -1 3 376.497 3.623 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccccc1 ZINC000915485362 886786256 /nfs/dbraw/zinc/78/62/56/886786256.db2.gz NYEHGVQQHGVHFC-NRFANRHFSA-N -1 3 375.424 3.997 20 0 GHADHM CCCC[C@@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)OC ZINC000762851624 886858160 /nfs/dbraw/zinc/85/81/60/886858160.db2.gz JGYDSQKGLYWXSB-GFCCVEGCSA-N -1 3 395.253 3.728 20 0 GHADHM O=c1[n-]c(COc2nc(Cc3ccc(F)cc3)no2)nc2c3ccccc3oc21 ZINC000495967195 887312682 /nfs/dbraw/zinc/31/26/82/887312682.db2.gz MNQIKMMALLWJHD-UHFFFAOYSA-N -1 3 392.346 3.774 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C ZINC000032588498 887424732 /nfs/dbraw/zinc/42/47/32/887424732.db2.gz HIXZBYWKVRUIMT-UHFFFAOYSA-N -1 3 375.446 3.846 20 0 GHADHM C[C@@H]1CC(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC001131707657 887441344 /nfs/dbraw/zinc/44/13/44/887441344.db2.gz PEAFBLUNIUNOQB-RYUDHWBXSA-N -1 3 395.912 3.907 20 0 GHADHM C[C@@H]1CC(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC001131707657 887441351 /nfs/dbraw/zinc/44/13/51/887441351.db2.gz PEAFBLUNIUNOQB-RYUDHWBXSA-N -1 3 395.912 3.907 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)c(F)cc1Br ZINC000644268583 913153392 /nfs/dbraw/zinc/15/33/92/913153392.db2.gz BJBILTLQZZGNFR-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C(C)C)C3(CO)CCCC3)cc2)cc(=O)[n-]1 ZINC000459348546 887542460 /nfs/dbraw/zinc/54/24/60/887542460.db2.gz DOVCVSXLUARSTA-FQEVSTJZSA-N -1 3 398.507 3.856 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3cnn(-c4ccccc4)c3)cc(=O)oc12 ZINC000015037738 887659920 /nfs/dbraw/zinc/65/99/20/887659920.db2.gz HMBRMRZILFOHCW-UHFFFAOYSA-N -1 3 375.428 3.625 20 0 GHADHM COc1ccc(C[C@H](CNCc2c(F)ccc(F)c2Cl)C(=O)[O-])cc1F ZINC000864531741 887836363 /nfs/dbraw/zinc/83/63/63/887836363.db2.gz JZWZGLFTMLFGLZ-LLVKDONJSA-N -1 3 387.785 3.799 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Cl)nc1Cl ZINC000810082452 888133770 /nfs/dbraw/zinc/13/37/70/888133770.db2.gz KFXFKSQUQRUGDK-OLZOCXBDSA-N -1 3 387.288 3.587 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2cc3ccccc3nc2Cl)C1)C(F)(F)F ZINC000810069809 888157123 /nfs/dbraw/zinc/15/71/23/888157123.db2.gz IZMKVQYJZKSGRB-LBPRGKRZSA-N -1 3 385.817 3.779 20 0 GHADHM CN(Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1)C(=O)C(F)(F)F ZINC000810103876 888169981 /nfs/dbraw/zinc/16/99/81/888169981.db2.gz ZWABOYQTLUKCKD-UHFFFAOYSA-N -1 3 386.757 3.819 20 0 GHADHM CCc1cc2c(CN[C@H](C)c3cc(OC)ccc3OC)cc(=O)oc2cc1[O-] ZINC000015509653 888234002 /nfs/dbraw/zinc/23/40/02/888234002.db2.gz PJFCSHYFVQATRE-CYBMUJFWSA-N -1 3 383.444 3.929 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000729666261 888278042 /nfs/dbraw/zinc/27/80/42/888278042.db2.gz YGFAWFMXESNPHC-SFQUDFHCSA-N -1 3 379.416 3.757 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000763212863 888305700 /nfs/dbraw/zinc/30/57/00/888305700.db2.gz ZVKWOWPRUKRILC-LLVKDONJSA-N -1 3 381.885 3.721 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1ccc(Cn2cccn2)o1 ZINC001132220733 888445475 /nfs/dbraw/zinc/44/54/75/888445475.db2.gz REQWMFBCZCMHGF-UHFFFAOYSA-N -1 3 387.371 3.573 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000794873256 888614777 /nfs/dbraw/zinc/61/47/77/888614777.db2.gz YWJBYKBNEBOKTF-NWDGAFQWSA-N -1 3 377.510 3.548 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000794876382 888652509 /nfs/dbraw/zinc/65/25/09/888652509.db2.gz UOTQDKMRYBFDRQ-GXTWGEPZSA-N -1 3 387.307 3.940 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)ccc1F ZINC000747617260 888701028 /nfs/dbraw/zinc/70/10/28/888701028.db2.gz UQINGWRRLYOILF-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000796107345 913283505 /nfs/dbraw/zinc/28/35/05/913283505.db2.gz XRMDNSJXHJNWTH-SCLBCKFNSA-N -1 3 377.437 3.589 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Oc2ccccc2)cc1 ZINC000866628880 888980951 /nfs/dbraw/zinc/98/09/51/888980951.db2.gz SXCYUTSMOWKTAJ-HNNXBMFYSA-N -1 3 377.444 3.898 20 0 GHADHM O=c1[n-]c(CN[C@H](Cc2ccccc2Cl)c2ccccc2)nc2c1COCC2 ZINC000866629336 888983017 /nfs/dbraw/zinc/98/30/17/888983017.db2.gz ZVRXXWMBRDTTBA-HXUWFJFHSA-N -1 3 395.890 3.982 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)C2CC3(C2)CCCCC3)s1 ZINC001132540338 889041111 /nfs/dbraw/zinc/04/11/11/889041111.db2.gz ZXSCVRPUXZWPGZ-UHFFFAOYSA-N -1 3 385.555 3.519 20 0 GHADHM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3ccc(Cl)cc3[O-])cc21 ZINC000532837266 889055245 /nfs/dbraw/zinc/05/52/45/889055245.db2.gz IBMWNEBSPRTPBM-UHFFFAOYSA-N -1 3 376.796 3.805 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000532931744 889312480 /nfs/dbraw/zinc/31/24/80/889312480.db2.gz APWHGBHDPWVSNG-AWEZNQCLSA-N -1 3 388.233 3.693 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CCC1 ZINC000868441142 889444550 /nfs/dbraw/zinc/44/45/50/889444550.db2.gz SJEDCOKTRKLFIO-GXTWGEPZSA-N -1 3 383.414 3.557 20 0 GHADHM CC(C)=CCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868533524 889489219 /nfs/dbraw/zinc/48/92/19/889489219.db2.gz FSTFJGIDMDZKGC-AWEZNQCLSA-N -1 3 383.414 3.725 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000063112377 889502375 /nfs/dbraw/zinc/50/23/75/889502375.db2.gz YYKCPMGWCRNKBN-NSHDSACASA-N -1 3 396.365 3.783 20 0 GHADHM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1C ZINC000811395493 889537424 /nfs/dbraw/zinc/53/74/24/889537424.db2.gz GJYGVARRZQPRDC-UHFFFAOYSA-N -1 3 394.836 3.654 20 0 GHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(C(C)C)s3)n2)n1 ZINC000125387993 889977223 /nfs/dbraw/zinc/97/72/23/889977223.db2.gz WSIIQZRXJWJAEY-UHFFFAOYSA-N -1 3 376.873 3.765 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3cccc(C)c3)nc(=O)c2c1C ZINC000533243429 890080179 /nfs/dbraw/zinc/08/01/79/890080179.db2.gz HHOMWQGNPVYORL-CQSZACIVSA-N -1 3 399.516 3.971 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3C)C3CC3)nc(=O)c2c1C ZINC000533246885 890084689 /nfs/dbraw/zinc/08/46/89/890084689.db2.gz AOZRMOBSGLLFPA-UHFFFAOYSA-N -1 3 397.500 3.553 20 0 GHADHM CC(C)(CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000811899933 890100995 /nfs/dbraw/zinc/10/09/95/890100995.db2.gz LGZMJXIXPZRNCF-AWEZNQCLSA-N -1 3 391.478 3.693 20 0 GHADHM C[C@@H](CCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)CC(C)(C)C ZINC000811906437 890108618 /nfs/dbraw/zinc/10/86/18/890108618.db2.gz CDOGRPKLDLQLTF-UONOGXRCSA-N -1 3 379.467 3.549 20 0 GHADHM O=S(=O)([N-]CC[C@H](O)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000123155862 890371271 /nfs/dbraw/zinc/37/12/71/890371271.db2.gz FDACVCPGADEWCO-AWEZNQCLSA-N -1 3 393.814 3.761 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812197699 890408005 /nfs/dbraw/zinc/40/80/05/890408005.db2.gz JBQHYUOEHJPWPQ-OAGGEKHMSA-N -1 3 391.478 3.691 20 0 GHADHM Cc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184826218 913464948 /nfs/dbraw/zinc/46/49/48/913464948.db2.gz SRBLNHLPYKGQEI-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)c2ccc(CF)cc2)c2ccccc21)C(F)(F)F ZINC000871317898 890753183 /nfs/dbraw/zinc/75/31/83/890753183.db2.gz ULHUTQPBFIZXRB-HNNXBMFYSA-N -1 3 394.368 3.969 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c([O-])c1 ZINC000127367614 891024886 /nfs/dbraw/zinc/02/48/86/891024886.db2.gz KGIQEUZLNPSRID-UHFFFAOYSA-N -1 3 379.416 3.624 20 0 GHADHM Cc1cc(Br)c(CN[C@@H](Cc2cncs2)C(=O)[O-])cc1Cl ZINC000871881535 891071914 /nfs/dbraw/zinc/07/19/14/891071914.db2.gz XIHAVZIAPVICMR-ZDUSSCGKSA-N -1 3 389.702 3.653 20 0 GHADHM O=C([O-])[C@@H](Cc1cncs1)NCc1cc(Cl)ccc1OC1CCCC1 ZINC000871881386 891072053 /nfs/dbraw/zinc/07/20/53/891072053.db2.gz RYEKSJXORZQAFO-MRXNPFEDSA-N -1 3 380.897 3.903 20 0 GHADHM C[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872068067 891135195 /nfs/dbraw/zinc/13/51/95/891135195.db2.gz VHGFEGJIVRHGCK-JTQLQIEISA-N -1 3 391.386 3.804 20 0 GHADHM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cn(C2CCOCC2)nn1 ZINC000812961624 891160588 /nfs/dbraw/zinc/16/05/88/891160588.db2.gz BLFQEFYIRFUHDS-UHFFFAOYSA-N -1 3 388.827 3.850 20 0 GHADHM [O-]c1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1Br ZINC000459385976 891164306 /nfs/dbraw/zinc/16/43/06/891164306.db2.gz XOFWSTANSWWYIG-UHFFFAOYSA-N -1 3 384.657 3.869 20 0 GHADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000497354760 891192621 /nfs/dbraw/zinc/19/26/21/891192621.db2.gz LZNCCQPOCIWYBQ-LLVKDONJSA-N -1 3 391.386 3.763 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@]4(C(=O)[O-])CCC[C@H]34)cs2)cc1OC ZINC000872172102 891197059 /nfs/dbraw/zinc/19/70/59/891197059.db2.gz XZJBBSFFUXEQRA-FXAWDEMLSA-N -1 3 388.489 3.657 20 0 GHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000067244105 891237936 /nfs/dbraw/zinc/23/79/36/891237936.db2.gz YJEQJQIECQPKQN-UHFFFAOYSA-N -1 3 378.469 3.807 20 0 GHADHM Nc1ccc(S(=O)(=O)c2ccc(Nc3ccc([O-])c(F)c3F)cc2)cc1 ZINC001212009587 891306489 /nfs/dbraw/zinc/30/64/89/891306489.db2.gz SWJNQYLMMBZLME-UHFFFAOYSA-N -1 3 376.384 3.829 20 0 GHADHM CN(Cc1cc(Br)cs1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000917120624 891311019 /nfs/dbraw/zinc/31/10/19/891311019.db2.gz ITKSMSQPYCRSKZ-UHFFFAOYSA-N -1 3 380.263 3.955 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c1 ZINC000825646775 891433023 /nfs/dbraw/zinc/43/30/23/891433023.db2.gz XVCMERYUVRVMTJ-UHFFFAOYSA-N -1 3 386.473 3.507 20 0 GHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(C(F)F)s3)n2)n1 ZINC000067860371 891499158 /nfs/dbraw/zinc/49/91/58/891499158.db2.gz RPNRTVZZOILTNP-UHFFFAOYSA-N -1 3 384.799 3.579 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000614920523 891595033 /nfs/dbraw/zinc/59/50/33/891595033.db2.gz DCCBTEDFHIEROL-UHFFFAOYSA-N -1 3 395.425 3.680 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2cccc([O-])c2F)(C(F)(F)F)C1 ZINC000813501932 891721581 /nfs/dbraw/zinc/72/15/81/891721581.db2.gz FPAORMVRGOHABE-INIZCTEOSA-N -1 3 392.349 3.659 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000873645108 891722857 /nfs/dbraw/zinc/72/28/57/891722857.db2.gz UBXPHQLSZDGYCK-AGIUHOORSA-N -1 3 382.291 3.978 20 0 GHADHM C[C@H](SCC(=O)N(C)C1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000067993248 891726970 /nfs/dbraw/zinc/72/69/70/891726970.db2.gz FMNYFWZVGGZXQI-JTQLQIEISA-N -1 3 389.502 3.660 20 0 GHADHM CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000917359611 891876507 /nfs/dbraw/zinc/87/65/07/891876507.db2.gz ALVVIEJRFWLRTR-NSHDSACASA-N -1 3 395.352 3.846 20 0 GHADHM COc1ccc(-c2nc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cs2)cc1 ZINC000497567975 891906967 /nfs/dbraw/zinc/90/69/67/891906967.db2.gz OICNGHQOYVUNON-UHFFFAOYSA-N -1 3 376.441 3.883 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874047116 891966722 /nfs/dbraw/zinc/96/67/22/891966722.db2.gz QAVHUFHGNMLADF-KLPPZKSPSA-N -1 3 387.789 3.806 20 0 GHADHM Cc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c(Oc2ccccc2)c1 ZINC000128538117 892083954 /nfs/dbraw/zinc/08/39/54/892083954.db2.gz LNVQTJSYQBKSBN-UHFFFAOYSA-N -1 3 391.471 3.736 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Oc1ccc(F)cc1)c1cnc(Cl)nc1 ZINC001185066696 913640994 /nfs/dbraw/zinc/64/09/94/913640994.db2.gz DDZKEJOVHZTXOH-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM O=C1[N-]C(=O)/C(=C/NCc2ccc(OCc3ccccc3)cc2)c2ccccc21 ZINC000917604091 892272632 /nfs/dbraw/zinc/27/26/32/892272632.db2.gz QRSUMBRYOXGNPD-PXLXIMEGSA-N -1 3 384.435 3.666 20 0 GHADHM COc1ccccc1Nc1ncccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000497735073 892321511 /nfs/dbraw/zinc/32/15/11/892321511.db2.gz KXWHQMKCBLXIFE-UHFFFAOYSA-N -1 3 390.403 3.773 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030120705 892335260 /nfs/dbraw/zinc/33/52/60/892335260.db2.gz SHFVJOKGLBBPDT-AWEZNQCLSA-N -1 3 392.496 3.736 20 0 GHADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000666829798 892336823 /nfs/dbraw/zinc/33/68/23/892336823.db2.gz DRJRWORCOMLDRS-ZDUSSCGKSA-N -1 3 378.432 3.535 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCCCC2)ccc1F ZINC000917743623 892491146 /nfs/dbraw/zinc/49/11/46/892491146.db2.gz CSAYJRGHAFYBFN-SFHVURJKSA-N -1 3 396.528 3.697 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)Cc3ccccc3Cl)c2)n1 ZINC000476009013 892601185 /nfs/dbraw/zinc/60/11/85/892601185.db2.gz HEPKDAQPAZDQJC-SFHVURJKSA-N -1 3 397.862 3.607 20 0 GHADHM CNc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000876603591 893247910 /nfs/dbraw/zinc/24/79/10/893247910.db2.gz XTJTYWVSPOATQW-UHFFFAOYSA-N -1 3 387.867 3.578 20 0 GHADHM CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000455785706 893272285 /nfs/dbraw/zinc/27/22/85/893272285.db2.gz JBRNQOMHLKTZJK-AWEZNQCLSA-N -1 3 391.493 3.724 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CC(=O)c1ccccc1 ZINC000533883724 893378385 /nfs/dbraw/zinc/37/83/85/893378385.db2.gz AEAQMOPCKUVVJF-GFCCVEGCSA-N -1 3 375.421 3.820 20 0 GHADHM COCCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000152613641 893390204 /nfs/dbraw/zinc/39/02/04/893390204.db2.gz KCOQSJBKNCOPPJ-UHFFFAOYSA-N -1 3 385.302 3.551 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)c1F ZINC001185317559 913774671 /nfs/dbraw/zinc/77/46/71/913774671.db2.gz MKVHSPDUBBLIMH-AAEUAGOBSA-N -1 3 389.464 3.635 20 0 GHADHM COc1cnc([C@H]2CCCN2CCC(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC000934271546 893513274 /nfs/dbraw/zinc/51/32/74/893513274.db2.gz ASZNRFCNLZXMCQ-GOSISDBHSA-N -1 3 392.459 3.510 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCc4c(ncn4-c4ccccc4)C3)cc(=O)oc12 ZINC000778237559 893561025 /nfs/dbraw/zinc/56/10/25/893561025.db2.gz PWRZHPVOAKSNCD-UHFFFAOYSA-N -1 3 387.439 3.551 20 0 GHADHM COc1ccc(Br)cc1CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000563289168 893568315 /nfs/dbraw/zinc/56/83/15/893568315.db2.gz LTVDSVASHUMTRO-LJQANCHMSA-N -1 3 390.277 3.686 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccc(OC)cc3)nc21 ZINC001134937018 893643508 /nfs/dbraw/zinc/64/35/08/893643508.db2.gz JJROBRKLGLBYNI-UHFFFAOYSA-N -1 3 397.431 3.546 20 0 GHADHM CCOC(=O)COc1cccc(NCc2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000459488992 893657973 /nfs/dbraw/zinc/65/79/73/893657973.db2.gz WVUYVIMIEREGPJ-UHFFFAOYSA-N -1 3 379.840 3.998 20 0 GHADHM CCc1cccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)c1[O-] ZINC000536725611 893665925 /nfs/dbraw/zinc/66/59/25/893665925.db2.gz MMDISCLEBPSVDM-UHFFFAOYSA-N -1 3 391.427 3.754 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccsc1 ZINC001185346313 913803399 /nfs/dbraw/zinc/80/33/99/913803399.db2.gz XEPNJFNGDWUKIG-INIZCTEOSA-N -1 3 388.505 3.696 20 0 GHADHM O=c1[n-]c(CN2CCC(c3cccc4ccccc43)CC2)nc2c1COCC2 ZINC000878015614 893949331 /nfs/dbraw/zinc/94/93/31/893949331.db2.gz AHJWGBRWTCLBGB-UHFFFAOYSA-N -1 3 375.472 3.788 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC000069960144 893999112 /nfs/dbraw/zinc/99/91/12/893999112.db2.gz MBTMRYARGOPNCU-OAQYLSRUSA-N -1 3 395.503 3.565 20 0 GHADHM CC(C)Oc1ccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000778288601 894087425 /nfs/dbraw/zinc/08/74/25/894087425.db2.gz DCMGLLOESODQFZ-UHFFFAOYSA-N -1 3 397.880 3.856 20 0 GHADHM CC[C@](C)(COc1ncccc1Cl)NCc1nnc(-c2ccccc2[O-])o1 ZINC000878287869 894163857 /nfs/dbraw/zinc/16/38/57/894163857.db2.gz ZADGMUFJQDXINL-LJQANCHMSA-N -1 3 388.855 3.828 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537183803 894538338 /nfs/dbraw/zinc/53/83/38/894538338.db2.gz QBIPOFMJLAPKQV-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@@H](c3c(F)cccc3Cl)C2)o1 ZINC000878771806 894592957 /nfs/dbraw/zinc/59/29/57/894592957.db2.gz WHNVKPOHMRUZJS-MRXNPFEDSA-N -1 3 389.814 3.808 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)c2ccccc21 ZINC000564136170 894638635 /nfs/dbraw/zinc/63/86/35/894638635.db2.gz NUAUVBPKWRHAGC-LLVKDONJSA-N -1 3 377.375 3.745 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)cc1F ZINC001185466585 913890638 /nfs/dbraw/zinc/89/06/38/913890638.db2.gz GSECUPAXVANYKW-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000816308886 894682117 /nfs/dbraw/zinc/68/21/17/894682117.db2.gz JLUUITYMTPOYIO-CQSZACIVSA-N -1 3 393.443 3.510 20 0 GHADHM COCc1nsc([N-]C(=O)c2sc(-c3ccc(C)cc3F)nc2C)n1 ZINC000879455695 895067171 /nfs/dbraw/zinc/06/71/71/895067171.db2.gz ZEKKNAVQMAKUMM-UHFFFAOYSA-N -1 3 378.454 3.816 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC12CCC2 ZINC000816800424 895087881 /nfs/dbraw/zinc/08/78/81/895087881.db2.gz YMRHLXMFXZYYNP-KRWDZBQOSA-N -1 3 396.528 3.553 20 0 GHADHM COC(=O)[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1F ZINC000826118104 895204120 /nfs/dbraw/zinc/20/41/20/895204120.db2.gz XMMHDKWWWLLASF-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1F ZINC000826118104 895204134 /nfs/dbraw/zinc/20/41/34/895204134.db2.gz XMMHDKWWWLLASF-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000816976961 895235880 /nfs/dbraw/zinc/23/58/80/895235880.db2.gz NHJCXCQTRIFJNF-NSHDSACASA-N -1 3 395.550 3.603 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccnn2Cc2ccccc2)s1 ZINC001135797823 895285261 /nfs/dbraw/zinc/28/52/61/895285261.db2.gz UGBWZZQJHXLGBT-UHFFFAOYSA-N -1 3 399.476 3.987 20 0 GHADHM C[C@H](c1ccncc1)N1CCC(N=c2[n-]c(-c3cccc(Cl)c3)no2)CC1 ZINC000564876839 895295795 /nfs/dbraw/zinc/29/57/95/895295795.db2.gz RUTQXEOKHZTCJV-CQSZACIVSA-N -1 3 383.883 3.844 20 0 GHADHM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565202400 895457902 /nfs/dbraw/zinc/45/79/02/895457902.db2.gz BIAGDEPGFRUNSP-UHFFFAOYSA-N -1 3 385.317 3.782 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)c1nc(C(F)(F)F)cs1 ZINC000645574518 913978698 /nfs/dbraw/zinc/97/86/98/913978698.db2.gz QXQFZYUPHGJLTE-VIFPVBQESA-N -1 3 398.403 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000817642026 895813295 /nfs/dbraw/zinc/81/32/95/895813295.db2.gz QPXLXVLCYRJJTQ-DLBZAZTESA-N -1 3 388.508 3.892 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001136072964 895976494 /nfs/dbraw/zinc/97/64/94/895976494.db2.gz MZFAWIOAGJFAFS-UHFFFAOYSA-N -1 3 385.489 3.726 20 0 GHADHM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817932845 895980600 /nfs/dbraw/zinc/98/06/00/895980600.db2.gz XVNYWBGMIOSICR-OAHLLOKOSA-N -1 3 391.265 3.723 20 0 GHADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565925040 895984101 /nfs/dbraw/zinc/98/41/01/895984101.db2.gz UGPUSQGTIOLRAW-JGZJWPJOSA-N -1 3 388.336 3.999 20 0 GHADHM CC(C)(C)OC(=O)CN(C(=O)c1cc([O-])c2ccccc2c1)C1CCOCC1 ZINC000566012281 896046750 /nfs/dbraw/zinc/04/67/50/896046750.db2.gz XVSXAEBXWLIMFB-UHFFFAOYSA-N -1 3 385.460 3.508 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1Br ZINC001185680340 914038575 /nfs/dbraw/zinc/03/85/75/914038575.db2.gz UFTOXOBWGMKFIL-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000566220622 896181697 /nfs/dbraw/zinc/18/16/97/896181697.db2.gz KQKVYENDUIHMSH-DBVUQKKJSA-N -1 3 380.488 3.937 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000818816304 896247078 /nfs/dbraw/zinc/24/70/78/896247078.db2.gz PYLRBAOXKXMUKX-AEFFLSMTSA-N -1 3 388.508 3.952 20 0 GHADHM COc1cccc([C@H]2C[C@H](C)CN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826215384 896383536 /nfs/dbraw/zinc/38/35/36/896383536.db2.gz NJFROBMMIVUQJP-SCLBCKFNSA-N -1 3 394.504 3.655 20 0 GHADHM COc1cccc([C@H]2C[C@H](C)CN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826215384 896383552 /nfs/dbraw/zinc/38/35/52/896383552.db2.gz NJFROBMMIVUQJP-SCLBCKFNSA-N -1 3 394.504 3.655 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000826218580 896396156 /nfs/dbraw/zinc/39/61/56/896396156.db2.gz GUHIDAOOHATTHV-BTYIYWSLSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000826218580 896396172 /nfs/dbraw/zinc/39/61/72/896396172.db2.gz GUHIDAOOHATTHV-BTYIYWSLSA-N -1 3 386.459 3.711 20 0 GHADHM CS[C@H](C)CC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826225025 896500287 /nfs/dbraw/zinc/50/02/87/896500287.db2.gz RHMMGWMZTILLOQ-IUDNXUCKSA-N -1 3 389.525 3.583 20 0 GHADHM CSC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826226582 896508216 /nfs/dbraw/zinc/50/82/16/896508216.db2.gz BZZGMCJLHQTHFH-KGLIPLIRSA-N -1 3 381.505 3.710 20 0 GHADHM CSC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826226582 896508228 /nfs/dbraw/zinc/50/82/28/896508228.db2.gz BZZGMCJLHQTHFH-KGLIPLIRSA-N -1 3 381.505 3.710 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1OC1CCCC1 ZINC000566922973 896701871 /nfs/dbraw/zinc/70/18/71/896701871.db2.gz DBMSBYMYJDRKLF-ZDUSSCGKSA-N -1 3 397.475 3.881 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)c(C)c1C ZINC000567076606 896853762 /nfs/dbraw/zinc/85/37/62/896853762.db2.gz COLNCELFPWDYNW-UHFFFAOYSA-N -1 3 386.473 3.978 20 0 GHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000826281584 896865627 /nfs/dbraw/zinc/86/56/27/896865627.db2.gz AGSGQLUGQNUKGA-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000826281584 896865635 /nfs/dbraw/zinc/86/56/35/896865635.db2.gz AGSGQLUGQNUKGA-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1C ZINC000826282202 896865669 /nfs/dbraw/zinc/86/56/69/896865669.db2.gz CMEJIQWQWJMACH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000882689251 896901593 /nfs/dbraw/zinc/90/15/93/896901593.db2.gz BUDFRMCODYACDM-POYXUOKUSA-N -1 3 379.382 3.695 20 0 GHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000567571988 897261156 /nfs/dbraw/zinc/26/11/56/897261156.db2.gz AQNZNZNPUAZWFX-UHFFFAOYSA-N -1 3 376.453 3.966 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Sc1ccccc1 ZINC000820269735 897263593 /nfs/dbraw/zinc/26/35/93/897263593.db2.gz PBGQHHBWMHJROX-LLVKDONJSA-N -1 3 388.884 3.822 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Sc1ccccc1 ZINC000820269735 897263605 /nfs/dbraw/zinc/26/36/05/897263605.db2.gz PBGQHHBWMHJROX-LLVKDONJSA-N -1 3 388.884 3.822 20 0 GHADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)[N-]c2cc(F)cc(F)c2F)s1 ZINC000820414716 897335652 /nfs/dbraw/zinc/33/56/52/897335652.db2.gz AAXYBKZJBZQIDM-UHFFFAOYSA-N -1 3 387.383 3.837 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820563700 897396589 /nfs/dbraw/zinc/39/65/89/897396589.db2.gz TUYKNRZNGRIHIJ-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820563700 897396599 /nfs/dbraw/zinc/39/65/99/897396599.db2.gz TUYKNRZNGRIHIJ-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@@H](c2cccs2)c2ccc(F)cc2)c2ccccc21 ZINC000027190536 897423237 /nfs/dbraw/zinc/42/32/37/897423237.db2.gz DWOCBSZEXJVIDQ-XYSGSMRZSA-N -1 3 378.428 3.877 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000820799601 897557382 /nfs/dbraw/zinc/55/73/82/897557382.db2.gz XOKHDEVISIMECD-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCC(C)(C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820847529 897582620 /nfs/dbraw/zinc/58/26/20/897582620.db2.gz FSUJBEVCKBJJIA-UHFFFAOYSA-N -1 3 398.442 3.895 20 0 GHADHM CCC(C)(C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820847529 897582633 /nfs/dbraw/zinc/58/26/33/897582633.db2.gz FSUJBEVCKBJJIA-UHFFFAOYSA-N -1 3 398.442 3.895 20 0 GHADHM Cc1nc(COc2cccc(C(=O)Nc3sccc3-c3nnn[n-]3)c2)cs1 ZINC000826326690 897634216 /nfs/dbraw/zinc/63/42/16/897634216.db2.gz ZWERITHJYDUQMF-UHFFFAOYSA-N -1 3 398.473 3.524 20 0 GHADHM Cc1nc(COc2cccc(C(=O)Nc3sccc3-c3nn[n-]n3)c2)cs1 ZINC000826326690 897634224 /nfs/dbraw/zinc/63/42/24/897634224.db2.gz ZWERITHJYDUQMF-UHFFFAOYSA-N -1 3 398.473 3.524 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccc(F)cc2)C(C)C)ccc1F ZINC000132098715 897666813 /nfs/dbraw/zinc/66/68/13/897666813.db2.gz CKLROBMHFXMLJF-UHFFFAOYSA-N -1 3 396.459 3.707 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000568274578 897708179 /nfs/dbraw/zinc/70/81/79/897708179.db2.gz HDHIZMQIZKSQMF-IUODEOHRSA-N -1 3 382.382 3.547 20 0 GHADHM O=C1c2ccc(S(=O)(=O)[N-]c3cccc(F)c3F)cc2CC1(Cl)Cl ZINC000821163571 897771897 /nfs/dbraw/zinc/77/18/97/897771897.db2.gz XGVCEOUVGBATAN-UHFFFAOYSA-N -1 3 392.210 3.678 20 0 GHADHM CCOc1ccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000821417321 897869910 /nfs/dbraw/zinc/86/99/10/897869910.db2.gz LENZLRBOCGUJBZ-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccnn1CC1CC1 ZINC001185930254 914209680 /nfs/dbraw/zinc/20/96/80/914209680.db2.gz RVGVRTKYFYSUCT-UHFFFAOYSA-N -1 3 398.507 3.708 20 0 GHADHM Cc1c[nH]c(=O)cc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185930291 914209805 /nfs/dbraw/zinc/20/98/05/914209805.db2.gz UCOYJUJQCDEAMY-UHFFFAOYSA-N -1 3 385.464 3.510 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001275483882 914210860 /nfs/dbraw/zinc/21/08/60/914210860.db2.gz SXLZBPAKSISHSL-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001275483882 914210872 /nfs/dbraw/zinc/21/08/72/914210872.db2.gz SXLZBPAKSISHSL-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Clc1cccc(SCCOCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000826353450 898036960 /nfs/dbraw/zinc/03/69/60/898036960.db2.gz PQBMYWCVIVHPES-UHFFFAOYSA-N -1 3 376.869 3.708 20 0 GHADHM Clc1cccc(SCCOCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000826353450 898036969 /nfs/dbraw/zinc/03/69/69/898036969.db2.gz PQBMYWCVIVHPES-UHFFFAOYSA-N -1 3 376.869 3.708 20 0 GHADHM CCc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2Br)c([O-])c1 ZINC001137200919 898379163 /nfs/dbraw/zinc/37/91/63/898379163.db2.gz VQTRABWHCZZKRD-GFCCVEGCSA-N -1 3 378.266 3.914 20 0 GHADHM Fc1cc(CSc2cccc(Cl)c2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000826373085 898419574 /nfs/dbraw/zinc/41/95/74/898419574.db2.gz YXKXUZZNUKRSEL-UHFFFAOYSA-N -1 3 378.816 3.818 20 0 GHADHM Fc1cc(CSc2cccc(Cl)c2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000826373085 898419579 /nfs/dbraw/zinc/41/95/79/898419579.db2.gz YXKXUZZNUKRSEL-UHFFFAOYSA-N -1 3 378.816 3.818 20 0 GHADHM COc1ccc(-n2c(CN3CCC[C@@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000569251723 898470638 /nfs/dbraw/zinc/47/06/38/898470638.db2.gz XRBXZHCPFQKNRN-JOCHJYFZSA-N -1 3 379.460 3.721 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@@H]1C ZINC001136652926 898735087 /nfs/dbraw/zinc/73/50/87/898735087.db2.gz GXZVYURHYWTUBY-HOTGVXAUSA-N -1 3 382.460 3.704 20 0 GHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000800209401 898745212 /nfs/dbraw/zinc/74/52/12/898745212.db2.gz WXAJXPZGMVOGQK-ZIAGYGMSSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000800209401 898745223 /nfs/dbraw/zinc/74/52/23/898745223.db2.gz WXAJXPZGMVOGQK-ZIAGYGMSSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000800209401 898745233 /nfs/dbraw/zinc/74/52/33/898745233.db2.gz WXAJXPZGMVOGQK-ZIAGYGMSSA-N -1 3 388.427 3.534 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000569611164 898826140 /nfs/dbraw/zinc/82/61/40/898826140.db2.gz DADDLADCPMYBSD-IBGZPJMESA-N -1 3 392.455 3.873 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000303084188 914290088 /nfs/dbraw/zinc/29/00/88/914290088.db2.gz ARMGCZIISLCBOQ-UHFFFAOYSA-N -1 3 396.487 3.676 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])Nc1cc(F)ccc1F ZINC001202658134 898909081 /nfs/dbraw/zinc/90/90/81/898909081.db2.gz CEEADNAOGVREDH-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000823331884 898970018 /nfs/dbraw/zinc/97/00/18/898970018.db2.gz IICCNPNLRISZKV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000823331884 898970032 /nfs/dbraw/zinc/97/00/32/898970032.db2.gz IICCNPNLRISZKV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=[S@](Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1)c1ccccc1 ZINC000823612858 899131977 /nfs/dbraw/zinc/13/19/77/899131977.db2.gz FFUWPCGMDFSQAP-HHHXNRCGSA-N -1 3 395.513 3.848 20 0 GHADHM O=[S@](Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1)c1ccccc1 ZINC000823612858 899131989 /nfs/dbraw/zinc/13/19/89/899131989.db2.gz FFUWPCGMDFSQAP-HHHXNRCGSA-N -1 3 395.513 3.848 20 0 GHADHM C[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646198451 914318351 /nfs/dbraw/zinc/31/83/51/914318351.db2.gz INVRQUKVUSRJOB-GHMZBOCLSA-N -1 3 387.823 3.580 20 0 GHADHM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)n1 ZINC000331784338 899161734 /nfs/dbraw/zinc/16/17/34/899161734.db2.gz ILSFWSOVTDURMJ-QGZVFWFLSA-N -1 3 381.476 3.710 20 0 GHADHM COC(=O)c1nc2ccc(NCc3cc(-c4cccc(Cl)c4)no3)nc2[n-]1 ZINC001171029197 899234133 /nfs/dbraw/zinc/23/41/33/899234133.db2.gz VXGQKKQYPVJFGE-UHFFFAOYSA-N -1 3 383.795 3.665 20 0 GHADHM COC(=O)c1nc2nc(NCc3cc(-c4cccc(Cl)c4)no3)ccc2[n-]1 ZINC001171029197 899234144 /nfs/dbraw/zinc/23/41/44/899234144.db2.gz VXGQKKQYPVJFGE-UHFFFAOYSA-N -1 3 383.795 3.665 20 0 GHADHM COC(=O)c1nc2ccc(NCc3cc(-c4cccc(Cl)c4)no3)[n-]c-2n1 ZINC001171029197 899234159 /nfs/dbraw/zinc/23/41/59/899234159.db2.gz VXGQKKQYPVJFGE-UHFFFAOYSA-N -1 3 383.795 3.665 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1c(F)cccc1OC(F)(F)F ZINC000570312871 899256933 /nfs/dbraw/zinc/25/69/33/899256933.db2.gz URIZYRSGNODTBT-WCQYABFASA-N -1 3 393.333 3.698 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@@H]2C2CCC2)cc1OC ZINC000646240565 914344920 /nfs/dbraw/zinc/34/49/20/914344920.db2.gz JEBQMYAUUGSWHE-QGZVFWFLSA-N -1 3 395.525 3.643 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1csc2ccccc12 ZINC000824171601 899441325 /nfs/dbraw/zinc/44/13/25/899441325.db2.gz CUKOIBHJZALLOH-UHFFFAOYSA-N -1 3 379.445 3.878 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1csc2ccccc12 ZINC000824171601 899441339 /nfs/dbraw/zinc/44/13/39/899441339.db2.gz CUKOIBHJZALLOH-UHFFFAOYSA-N -1 3 379.445 3.878 20 0 GHADHM C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385701 899575961 /nfs/dbraw/zinc/57/59/61/899575961.db2.gz ZKQVOYMHZFBONC-NSHDSACASA-N -1 3 390.369 3.715 20 0 GHADHM C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385701 899575964 /nfs/dbraw/zinc/57/59/64/899575964.db2.gz ZKQVOYMHZFBONC-NSHDSACASA-N -1 3 390.369 3.715 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470551 899616677 /nfs/dbraw/zinc/61/66/77/899616677.db2.gz JISJWWAMZCLONM-AUUYWEPGSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470551 899616680 /nfs/dbraw/zinc/61/66/80/899616680.db2.gz JISJWWAMZCLONM-AUUYWEPGSA-N -1 3 393.516 3.997 20 0 GHADHM Cc1csc(CC2(O)CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)n1 ZINC000824478332 899620905 /nfs/dbraw/zinc/62/09/05/899620905.db2.gz LZFUACUIQDPMOJ-UHFFFAOYSA-N -1 3 382.485 3.520 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487705 899632444 /nfs/dbraw/zinc/63/24/44/899632444.db2.gz BZODJLLCAUFTOW-CABCVRRESA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487705 899632447 /nfs/dbraw/zinc/63/24/47/899632447.db2.gz BZODJLLCAUFTOW-CABCVRRESA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](NC(=O)N1C[C@H]2CCC[C@H]21)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490449 899634086 /nfs/dbraw/zinc/63/40/86/899634086.db2.gz POKXDLWGLQQPQX-VHKYSDTDSA-N -1 3 388.475 3.789 20 0 GHADHM C[C@H](NC(=O)N1C[C@H]2CCC[C@H]21)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490449 899634097 /nfs/dbraw/zinc/63/40/97/899634097.db2.gz POKXDLWGLQQPQX-VHKYSDTDSA-N -1 3 388.475 3.789 20 0 GHADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470415 899650021 /nfs/dbraw/zinc/65/00/21/899650021.db2.gz IDFJJGAUEBBZKA-NYHFZMIOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470415 899650025 /nfs/dbraw/zinc/65/00/25/899650025.db2.gz IDFJJGAUEBBZKA-NYHFZMIOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498882 899666840 /nfs/dbraw/zinc/66/68/40/899666840.db2.gz LQOBMXGTKOUNSH-GFCCVEGCSA-N -1 3 398.417 3.585 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498882 899666845 /nfs/dbraw/zinc/66/68/45/899666845.db2.gz LQOBMXGTKOUNSH-GFCCVEGCSA-N -1 3 398.417 3.585 20 0 GHADHM Cc1ncc(CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000570991066 899703069 /nfs/dbraw/zinc/70/30/69/899703069.db2.gz SSYKKSDAFXRZIM-MRXNPFEDSA-N -1 3 392.228 3.864 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824867382 899845350 /nfs/dbraw/zinc/84/53/50/899845350.db2.gz PNFUMJRPTQRFCS-YJYMSZOUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824867382 899845362 /nfs/dbraw/zinc/84/53/62/899845362.db2.gz PNFUMJRPTQRFCS-YJYMSZOUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000824945866 899901005 /nfs/dbraw/zinc/90/10/05/899901005.db2.gz GSSZQQOMJKQIQC-LLVKDONJSA-N -1 3 399.442 3.625 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000824945866 899901012 /nfs/dbraw/zinc/90/10/12/899901012.db2.gz GSSZQQOMJKQIQC-LLVKDONJSA-N -1 3 399.442 3.625 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCCC[C@@H]21 ZINC000824974828 899922548 /nfs/dbraw/zinc/92/25/48/899922548.db2.gz GHOCWYOOZCZMLU-IXPVHAAZSA-N -1 3 394.401 3.928 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]2CCCC[C@@H]21 ZINC000824974828 899922558 /nfs/dbraw/zinc/92/25/58/899922558.db2.gz GHOCWYOOZCZMLU-IXPVHAAZSA-N -1 3 394.401 3.928 20 0 GHADHM O=C(c1ccc([O-])c(F)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001186219697 914394363 /nfs/dbraw/zinc/39/43/63/914394363.db2.gz XXWSQHBZEQLGEN-UHFFFAOYSA-N -1 3 377.375 3.679 20 0 GHADHM CC[C@H](C)CCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825059613 899959401 /nfs/dbraw/zinc/95/94/01/899959401.db2.gz HOKHLRSWONRYSH-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@H](C)CCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825059613 899959409 /nfs/dbraw/zinc/95/94/09/899959409.db2.gz HOKHLRSWONRYSH-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1[O-] ZINC000825070776 899961981 /nfs/dbraw/zinc/96/19/81/899961981.db2.gz MELQUYLKDHZTKF-GUYCJALGSA-N -1 3 390.480 3.503 20 0 GHADHM CC[C@@H](C)OCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075879 899965451 /nfs/dbraw/zinc/96/54/51/899965451.db2.gz SDXRVOZXWQTEPX-CABCVRRESA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@@H](C)OCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075879 899965461 /nfs/dbraw/zinc/96/54/61/899965461.db2.gz SDXRVOZXWQTEPX-CABCVRRESA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@@H]1C[C@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825182370 900014881 /nfs/dbraw/zinc/01/48/81/900014881.db2.gz IMRIESKVZHMLMV-VQIMIIECSA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@@H]1C[C@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825182370 900014886 /nfs/dbraw/zinc/01/48/86/900014886.db2.gz IMRIESKVZHMLMV-VQIMIIECSA-N -1 3 394.431 3.773 20 0 GHADHM CSCCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000121450944 900028805 /nfs/dbraw/zinc/02/88/05/900028805.db2.gz XLSGLEWNGQZLKT-UHFFFAOYSA-N -1 3 384.445 3.549 20 0 GHADHM O=C(CCCc1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406623 900065604 /nfs/dbraw/zinc/06/56/04/900065604.db2.gz FWGLOXJNKGHCKM-UHFFFAOYSA-N -1 3 383.455 3.932 20 0 GHADHM O=C(CCCc1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406623 900065614 /nfs/dbraw/zinc/06/56/14/900065614.db2.gz FWGLOXJNKGHCKM-UHFFFAOYSA-N -1 3 383.455 3.932 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825348634 900110369 /nfs/dbraw/zinc/11/03/69/900110369.db2.gz SXUSWUVGCNKLAG-UHFFFAOYSA-N -1 3 378.432 3.526 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825348634 900110377 /nfs/dbraw/zinc/11/03/77/900110377.db2.gz SXUSWUVGCNKLAG-UHFFFAOYSA-N -1 3 378.432 3.526 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(F)nc3)c2)cc1 ZINC000135030628 900164925 /nfs/dbraw/zinc/16/49/25/900164925.db2.gz ISMKCRWKTXBWDP-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCN(Cc1ncc(Br)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444186 900166393 /nfs/dbraw/zinc/16/63/93/900166393.db2.gz JUYFZUHKZKYNPP-JTQLQIEISA-N -1 3 393.314 3.669 20 0 GHADHM CCN(Cc1ncc(Br)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444186 900166399 /nfs/dbraw/zinc/16/63/99/900166399.db2.gz JUYFZUHKZKYNPP-JTQLQIEISA-N -1 3 393.314 3.669 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(Br)n1 ZINC000135239625 900206873 /nfs/dbraw/zinc/20/68/73/900206873.db2.gz VURZKVSKLPDWFJ-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Br)n1 ZINC000135244989 900209255 /nfs/dbraw/zinc/20/92/55/900209255.db2.gz XGTXMGVSNAUAFD-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572837625 900288146 /nfs/dbraw/zinc/28/81/46/900288146.db2.gz LFFDBXAUIXMCHK-SJLPKXTDSA-N -1 3 377.282 3.845 20 0 GHADHM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000843934139 900377090 /nfs/dbraw/zinc/37/70/90/900377090.db2.gz JREHHFIEFWYKCM-KGLIPLIRSA-N -1 3 382.476 3.662 20 0 GHADHM Nc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c([O-])c1 ZINC000844168157 900563456 /nfs/dbraw/zinc/56/34/56/900563456.db2.gz NXNFXCRSVSTXQN-UHFFFAOYSA-N -1 3 377.448 3.602 20 0 GHADHM O=C(Nc1c[nH]nc1-c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826453002 900619459 /nfs/dbraw/zinc/61/94/59/900619459.db2.gz RHKJYRAOLTYDAS-UHFFFAOYSA-N -1 3 380.799 3.554 20 0 GHADHM O=C(Nc1c[nH]nc1-c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826453002 900619464 /nfs/dbraw/zinc/61/94/64/900619464.db2.gz RHKJYRAOLTYDAS-UHFFFAOYSA-N -1 3 380.799 3.554 20 0 GHADHM CCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046143894 900666739 /nfs/dbraw/zinc/66/67/39/900666739.db2.gz RHOMCVHACXPHPR-UHFFFAOYSA-N -1 3 394.468 3.554 20 0 GHADHM CCOC[C@H](NCc1cccc(Br)c1SC(C)(C)C)C(=O)[O-] ZINC000844289735 900679285 /nfs/dbraw/zinc/67/92/85/900679285.db2.gz GISGOVAEYROQHM-ZDUSSCGKSA-N -1 3 390.343 3.919 20 0 GHADHM C[C@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CCN1Cc1ccccc1 ZINC001171121682 900798004 /nfs/dbraw/zinc/79/80/04/900798004.db2.gz XNYWBRUBBXBBHZ-HNNXBMFYSA-N -1 3 398.890 3.858 20 0 GHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)c1F ZINC001186337582 914487243 /nfs/dbraw/zinc/48/72/43/914487243.db2.gz ZLMRRTVXTPOUNP-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM O=c1[n-]c([C@@H]2CCCN(CCCCOc3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000575090105 901116117 /nfs/dbraw/zinc/11/61/17/901116117.db2.gz LRACJXYNNDGEIS-CYBMUJFWSA-N -1 3 384.402 3.568 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)cc1C ZINC000575348983 901204345 /nfs/dbraw/zinc/20/43/45/901204345.db2.gz JEJQHWMPUIROJF-UHFFFAOYSA-N -1 3 393.852 3.871 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCN([C@@H](C)c3ncc(-c4ccc(Cl)cc4)o3)CC2)n1 ZINC000886656581 901209334 /nfs/dbraw/zinc/20/93/34/901209334.db2.gz LAVYHVUJIKXYEI-AWEZNQCLSA-N -1 3 399.882 3.682 20 0 GHADHM c1csc(Oc2ccc(OCCOc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826517645 901381617 /nfs/dbraw/zinc/38/16/17/901381617.db2.gz KBTOHDCIETUAMO-UHFFFAOYSA-N -1 3 381.417 3.573 20 0 GHADHM c1csc(Oc2ccc(OCCOc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826517645 901381629 /nfs/dbraw/zinc/38/16/29/901381629.db2.gz KBTOHDCIETUAMO-UHFFFAOYSA-N -1 3 381.417 3.573 20 0 GHADHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(C)C ZINC001137234283 901395199 /nfs/dbraw/zinc/39/51/99/901395199.db2.gz ITJRYWRUBGWSJE-IAGOWNOFSA-N -1 3 392.446 3.862 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)OC)[n-]1 ZINC001144243582 901416529 /nfs/dbraw/zinc/41/65/29/901416529.db2.gz OUUMLJHFSOHFME-UHFFFAOYSA-N -1 3 394.383 3.633 20 0 GHADHM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000121849891 901685913 /nfs/dbraw/zinc/68/59/13/901685913.db2.gz ZVODMJKBIZTJJM-UHFFFAOYSA-N -1 3 397.500 3.573 20 0 GHADHM O=S(=O)([N-]CCCc1nc2c(s1)CCCC2)c1cccc(Cl)c1F ZINC000576131847 901710229 /nfs/dbraw/zinc/71/02/29/901710229.db2.gz OMDHJGDDLVUOIC-UHFFFAOYSA-N -1 3 388.917 3.726 20 0 GHADHM CC[C@@H](OCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000845110394 901792516 /nfs/dbraw/zinc/79/25/16/901792516.db2.gz YCASFINZWIPOEP-GOSISDBHSA-N -1 3 395.452 3.522 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000576236677 901854381 /nfs/dbraw/zinc/85/43/81/901854381.db2.gz AGGQXRLUKFIHHA-AWEZNQCLSA-N -1 3 391.265 3.980 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000122830436 901857801 /nfs/dbraw/zinc/85/78/01/901857801.db2.gz PQPXLIPUPLPOGN-BTYIYWSLSA-N -1 3 382.460 3.570 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000125014074 902153571 /nfs/dbraw/zinc/15/35/71/902153571.db2.gz KCAWDEAVYQOXQK-UHFFFAOYSA-N -1 3 379.457 3.795 20 0 GHADHM Cc1ccc(CCCCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290301452 914618065 /nfs/dbraw/zinc/61/80/65/914618065.db2.gz GHUPCWIDENRPSC-KRWDZBQOSA-N -1 3 384.442 3.625 20 0 GHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001186540302 914626666 /nfs/dbraw/zinc/62/66/66/914626666.db2.gz JHFZTLQPABLHBB-QGZVFWFLSA-N -1 3 393.480 3.692 20 0 GHADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001186539845 914626744 /nfs/dbraw/zinc/62/67/44/914626744.db2.gz GGMVQZLIQDIMOU-KRWDZBQOSA-N -1 3 393.480 3.692 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3=CCCCC3)cs2)c1 ZINC000577152131 902543506 /nfs/dbraw/zinc/54/35/06/902543506.db2.gz QDEUEJCTVBTZRU-UHFFFAOYSA-N -1 3 385.489 3.569 20 0 GHADHM O=C(c1ccccc1)N1CCC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144651396 902559644 /nfs/dbraw/zinc/55/96/44/902559644.db2.gz PFESGAVJGHPUTP-UHFFFAOYSA-N -1 3 386.442 3.799 20 0 GHADHM CCCNC(=O)CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129488677 902816205 /nfs/dbraw/zinc/81/62/05/902816205.db2.gz HVMUMPHUUWNRNY-UHFFFAOYSA-N -1 3 383.473 3.914 20 0 GHADHM CC1(C)CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000846263014 902834237 /nfs/dbraw/zinc/83/42/37/902834237.db2.gz XEDAJHKBRNENOE-XGEYEHBGSA-N -1 3 385.504 3.833 20 0 GHADHM CSc1cccnc1[N-]C(=O)c1cc(Br)cc2c1OCCO2 ZINC001144820378 902980601 /nfs/dbraw/zinc/98/06/01/902980601.db2.gz GXQKXGABNGOXQO-UHFFFAOYSA-N -1 3 381.251 3.590 20 0 GHADHM Cc1cc(C)cc(C2(C(=O)N[N-]C(=O)c3ccccc3Br)CC2)c1 ZINC000048169683 903006049 /nfs/dbraw/zinc/00/60/49/903006049.db2.gz KKNDJTYEAKFPBT-UHFFFAOYSA-N -1 3 387.277 3.559 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000846590832 903075265 /nfs/dbraw/zinc/07/52/65/903075265.db2.gz NNHZHDPUKKWSCF-UHFFFAOYSA-N -1 3 382.888 3.813 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccccc1SC1CCCC1 ZINC000887649253 903327372 /nfs/dbraw/zinc/32/73/72/903327372.db2.gz NZODZXKJQOXXQV-UHFFFAOYSA-N -1 3 376.507 3.827 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000133134634 903349504 /nfs/dbraw/zinc/34/95/04/903349504.db2.gz AFNSAQFCOFVMSN-UHFFFAOYSA-N -1 3 377.437 3.530 20 0 GHADHM O=c1[nH]oc2ccc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc12 ZINC001186655462 914710118 /nfs/dbraw/zinc/71/01/18/914710118.db2.gz JSUFTHHLIRUWQA-UHFFFAOYSA-N -1 3 396.424 3.913 20 0 GHADHM COCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000578025487 903454942 /nfs/dbraw/zinc/45/49/42/903454942.db2.gz VGCOLJSADOGTRC-AWEZNQCLSA-N -1 3 396.274 3.874 20 0 GHADHM CCc1[nH]n(C)c2nnc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])c1-2 ZINC001146243498 903475183 /nfs/dbraw/zinc/47/51/83/903475183.db2.gz SKXDPSBSEMLRQJ-UHFFFAOYSA-N -1 3 377.404 3.609 20 0 GHADHM CCC(CC)(CC)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001147124641 903691730 /nfs/dbraw/zinc/69/17/30/903691730.db2.gz CFBJBYBXVAWJEM-UHFFFAOYSA-N -1 3 383.448 3.691 20 0 GHADHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC001147104363 903698460 /nfs/dbraw/zinc/69/84/60/903698460.db2.gz STLWQFLXTAAGRY-HNNXBMFYSA-N -1 3 378.394 3.805 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1cc(F)c(S(C)(=O)=O)cc1F ZINC001147319064 903767831 /nfs/dbraw/zinc/76/78/31/903767831.db2.gz HXJXHDQETJIASR-UHFFFAOYSA-N -1 3 392.383 3.584 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000265305514 903792030 /nfs/dbraw/zinc/79/20/30/903792030.db2.gz QMCHGDYJJAEYLL-MRXNPFEDSA-N -1 3 379.435 3.787 20 0 GHADHM O=C(NCc1cccnc1OCC(F)(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646658739 914754801 /nfs/dbraw/zinc/75/48/01/914754801.db2.gz SVAOXWYOROBCDQ-UHFFFAOYSA-N -1 3 394.271 3.677 20 0 GHADHM O=C([O-])CN(CCOc1ccccc1C(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000578634914 904021275 /nfs/dbraw/zinc/02/12/75/904021275.db2.gz ODEXKMYYDJZUTG-UHFFFAOYSA-N -1 3 389.320 3.949 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646684537 914774675 /nfs/dbraw/zinc/77/46/75/914774675.db2.gz AQCMWCQDXRUAIR-GFCCVEGCSA-N -1 3 394.393 3.869 20 0 GHADHM Cc1c(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)cccc1C(F)(F)F ZINC001148739705 904179973 /nfs/dbraw/zinc/17/99/73/904179973.db2.gz HRXIWZQJDYCMMD-UHFFFAOYSA-N -1 3 388.349 3.810 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H]1CCC[C@H]1C ZINC000578991122 904280452 /nfs/dbraw/zinc/28/04/52/904280452.db2.gz CQYBPNYECJCBLY-KUHUBIRLSA-N -1 3 384.480 3.827 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001149034694 904284094 /nfs/dbraw/zinc/28/40/94/904284094.db2.gz MYOMCIHIXFWYBY-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001149034694 904284109 /nfs/dbraw/zinc/28/41/09/904284109.db2.gz MYOMCIHIXFWYBY-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000579205257 904427497 /nfs/dbraw/zinc/42/74/97/904427497.db2.gz UFGHYMWMZQMEEP-MGPUTAFESA-N -1 3 393.443 3.568 20 0 GHADHM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646753873 914816370 /nfs/dbraw/zinc/81/63/70/914816370.db2.gz OFGLOXBMXAYUQB-GFCCVEGCSA-N -1 3 382.357 3.806 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1[O-] ZINC000579358199 904539761 /nfs/dbraw/zinc/53/97/61/904539761.db2.gz LJRKPBPKMFUPAW-UKRRQHHQSA-N -1 3 395.459 3.742 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)c1 ZINC001186809484 914825549 /nfs/dbraw/zinc/82/55/49/914825549.db2.gz ACHJHSXNXVQFFG-SFHVURJKSA-N -1 3 379.453 3.596 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)c(F)c1 ZINC001186810258 914826691 /nfs/dbraw/zinc/82/66/91/914826691.db2.gz HTILDADQYPURQG-SFHVURJKSA-N -1 3 379.453 3.596 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC(C2CC2)CC1 ZINC000646768475 914826825 /nfs/dbraw/zinc/82/68/25/914826825.db2.gz FRGFEJSEHLZRSN-UHFFFAOYSA-N -1 3 375.266 3.553 20 0 GHADHM CCN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000160053180 904623274 /nfs/dbraw/zinc/62/32/74/904623274.db2.gz TZAHIYJWVJMRKF-UHFFFAOYSA-N -1 3 393.336 3.552 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000303460021 914831500 /nfs/dbraw/zinc/83/15/00/914831500.db2.gz FQRBJPYUMYEPJP-UHFFFAOYSA-N -1 3 380.366 3.715 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[N-]OC[C@H]1CCOC1 ZINC000187962906 904855353 /nfs/dbraw/zinc/85/53/53/904855353.db2.gz RAAPMQUADFURKG-NSHDSACASA-N -1 3 385.247 3.665 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccco2)CC12CCCCC2 ZINC001186886691 914855072 /nfs/dbraw/zinc/85/50/72/914855072.db2.gz IPOCDQVHFCVXQM-HNNXBMFYSA-N -1 3 398.525 3.660 20 0 GHADHM Cc1ccc(CC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)s1 ZINC001171915232 905144963 /nfs/dbraw/zinc/14/49/63/905144963.db2.gz OYGHXYHGHSAMNL-ZDUSSCGKSA-N -1 3 396.434 3.798 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3csc(C)n3)c2)n1 ZINC000175577932 905602073 /nfs/dbraw/zinc/60/20/73/905602073.db2.gz HPBHKHAHQAQOJZ-UHFFFAOYSA-N -1 3 382.489 3.726 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c([O-])c1 ZINC000779248193 905668293 /nfs/dbraw/zinc/66/82/93/905668293.db2.gz JDPIANNVHHWPEK-UHFFFAOYSA-N -1 3 375.415 3.918 20 0 GHADHM COC1(c2noc(CC3CCN(C(=O)c4c(C)cccc4[O-])CC3)n2)CCCC1 ZINC000628172386 905994854 /nfs/dbraw/zinc/99/48/54/905994854.db2.gz GDDHNUUBKYRDKC-UHFFFAOYSA-N -1 3 399.491 3.594 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cc1OC ZINC000901522443 921198210 /nfs/dbraw/zinc/19/82/10/921198210.db2.gz LSIACDNHCOZUDP-ACJLOTCBSA-N -1 3 398.297 3.543 20 0 GHADHM O=C(NCC/C=C/c1ccc(Br)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000628336138 906059544 /nfs/dbraw/zinc/05/95/44/906059544.db2.gz AVWDKDUXCRQSDG-HNQUOIGGSA-N -1 3 388.265 3.655 20 0 GHADHM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000901525244 921203098 /nfs/dbraw/zinc/20/30/98/921203098.db2.gz PLYHPTQXKBMREX-HNNXBMFYSA-N -1 3 386.452 3.681 20 0 GHADHM CN(c1ccccc1)c1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000901525249 921204290 /nfs/dbraw/zinc/20/42/90/921204290.db2.gz PMVCADYSUBMJPI-HXUWFJFHSA-N -1 3 391.475 3.581 20 0 GHADHM CC(=O)c1cc(Cl)cc(CN2CCC(Oc3ccc(F)nc3)CC2)c1[O-] ZINC000190522453 906090187 /nfs/dbraw/zinc/09/01/87/906090187.db2.gz HPVPJDVGQTVRFX-UHFFFAOYSA-N -1 3 378.831 3.826 20 0 GHADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)oc2c1C(=O)CCC2 ZINC000178021302 906269274 /nfs/dbraw/zinc/26/92/74/906269274.db2.gz CQNSDVAAVFIEQN-UHFFFAOYSA-N -1 3 378.222 3.505 20 0 GHADHM CCc1cc2c(CN[C@@H](c3nc(C4CC4)no3)C(C)C)cc(=O)oc2cc1[O-] ZINC000179820796 906608631 /nfs/dbraw/zinc/60/86/31/906608631.db2.gz ANDCZXNDUNEDIL-LJQANCHMSA-N -1 3 383.448 3.808 20 0 GHADHM CCOC1(CS(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)CCOCC1 ZINC000629292743 906682344 /nfs/dbraw/zinc/68/23/44/906682344.db2.gz WQYBZBLUXJDAAK-UHFFFAOYSA-N -1 3 382.309 3.629 20 0 GHADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000629291776 906682442 /nfs/dbraw/zinc/68/24/42/906682442.db2.gz WBAXZKGORYPLAJ-SFHVURJKSA-N -1 3 376.453 3.615 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC000629362956 906735579 /nfs/dbraw/zinc/73/55/79/906735579.db2.gz DNKRKAKOQKYTON-LSDHHAIUSA-N -1 3 395.684 3.798 20 0 GHADHM O=C([O-])[C@@H](c1cccnc1)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000629364862 906736937 /nfs/dbraw/zinc/73/69/37/906736937.db2.gz PZBNKCBVWUHRSN-LJQANCHMSA-N -1 3 384.480 3.593 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000629494865 906829451 /nfs/dbraw/zinc/82/94/51/906829451.db2.gz DZZYODNEPHOLFB-MRRJBJDNSA-N -1 3 399.318 3.700 20 0 GHADHM [O-]c1ccc(Cl)c(F)c1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000191311456 906867804 /nfs/dbraw/zinc/86/78/04/906867804.db2.gz SSBTUMFGBDIMRU-UHFFFAOYSA-N -1 3 375.730 3.805 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3ccccc3)cc2)cc1Cl ZINC001174223593 906919979 /nfs/dbraw/zinc/91/99/79/906919979.db2.gz YTJXSYZVCGDBEU-UHFFFAOYSA-N -1 3 386.860 3.954 20 0 GHADHM C[C@]1(C(F)(F)F)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC001174587467 907101963 /nfs/dbraw/zinc/10/19/63/907101963.db2.gz APNMDWUMZPGBPV-HXUWFJFHSA-N -1 3 393.405 3.971 20 0 GHADHM COc1cccc(C[C@@H](NCc2c(F)cccc2OC(F)(F)F)C(=O)[O-])c1 ZINC000630463213 907291889 /nfs/dbraw/zinc/29/18/89/907291889.db2.gz JILWXZNXLXRSOR-OAHLLOKOSA-N -1 3 387.329 3.518 20 0 GHADHM COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C2CCCC2)c(Br)c1[O-] ZINC000630470429 907297282 /nfs/dbraw/zinc/29/72/82/907297282.db2.gz IURKBJGFAGWPQT-CYBMUJFWSA-N -1 3 386.286 3.534 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOc3ccccc3)c2)cc1 ZINC000773464537 907396451 /nfs/dbraw/zinc/39/64/51/907396451.db2.gz COJXRJGVSFYFBF-UHFFFAOYSA-N -1 3 396.468 3.828 20 0 GHADHM [O-]c1ccc(F)c(Nc2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)c1F ZINC001175261212 907474590 /nfs/dbraw/zinc/47/45/90/907474590.db2.gz GPGKZONGEQFPGZ-SFHVURJKSA-N -1 3 398.413 3.778 20 0 GHADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)c(Br)cc1OC ZINC001175269704 907481998 /nfs/dbraw/zinc/48/19/98/907481998.db2.gz JQCFUXWJDBHZNM-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001175428473 907548915 /nfs/dbraw/zinc/54/89/15/907548915.db2.gz LHXQEVMPZVWAAD-UHFFFAOYSA-N -1 3 377.408 3.743 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)ccc1F ZINC000366162999 921338758 /nfs/dbraw/zinc/33/87/58/921338758.db2.gz PVYAJSBIHYXRON-GFCCVEGCSA-N -1 3 392.390 3.517 20 0 GHADHM CCc1cc2c(CN3CC[C@H](C(F)(F)F)O[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC001175870404 907809107 /nfs/dbraw/zinc/80/91/07/907809107.db2.gz GOMCPVRUCNRCEO-APPDUMDISA-N -1 3 385.382 3.603 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccccc2)c1Br ZINC000773535216 907813538 /nfs/dbraw/zinc/81/35/38/907813538.db2.gz XPUVGDQSGQXIIV-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM Cc1ccc(S(=O)(=O)N2CC=C(Nc3cccc([O-])c3Cl)CC2)cc1 ZINC001176649376 908217934 /nfs/dbraw/zinc/21/79/34/908217934.db2.gz AAPXLEUFLWYYKC-UHFFFAOYSA-N -1 3 378.881 3.744 20 0 GHADHM CCc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c([O-])c1 ZINC000189745241 908370968 /nfs/dbraw/zinc/37/09/68/908370968.db2.gz MYZZXJDCNJXXQA-UHFFFAOYSA-N -1 3 398.478 3.571 20 0 GHADHM CCCCS(=O)(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(F)cc1 ZINC000190409884 908480846 /nfs/dbraw/zinc/48/08/46/908480846.db2.gz PYPJNYLSEDJFJC-UHFFFAOYSA-N -1 3 394.493 3.814 20 0 GHADHM CCSc1nc(C)c([C@@H](CC)C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001177648290 908700827 /nfs/dbraw/zinc/70/08/27/908700827.db2.gz AYTIHJSGLDFIHZ-CYBMUJFWSA-N -1 3 392.550 3.747 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687557 908709823 /nfs/dbraw/zinc/70/98/23/908709823.db2.gz MJBRBBJOYUXZIB-LBPRGKRZSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687557 908709831 /nfs/dbraw/zinc/70/98/31/908709831.db2.gz MJBRBBJOYUXZIB-LBPRGKRZSA-N -1 3 397.456 3.621 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001178014878 908851033 /nfs/dbraw/zinc/85/10/33/908851033.db2.gz XYNGHNRBGDBPGV-UHFFFAOYSA-N -1 3 398.417 3.639 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001178014878 908851040 /nfs/dbraw/zinc/85/10/40/908851040.db2.gz XYNGHNRBGDBPGV-UHFFFAOYSA-N -1 3 398.417 3.639 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001178971026 909338345 /nfs/dbraw/zinc/33/83/45/909338345.db2.gz PSTMRNGURUOYRP-FQEVSTJZSA-N -1 3 376.453 3.571 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)n1 ZINC000636109366 909430395 /nfs/dbraw/zinc/43/03/95/909430395.db2.gz BENVHJILYUZSHB-UONOGXRCSA-N -1 3 395.381 3.544 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000636110412 909430756 /nfs/dbraw/zinc/43/07/56/909430756.db2.gz CZVQESFRCJOSTI-NWDGAFQWSA-N -1 3 380.275 3.952 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000636112876 909433277 /nfs/dbraw/zinc/43/32/77/909433277.db2.gz ASUPNMXFRIISRK-UHFFFAOYSA-N -1 3 383.492 3.820 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000636114413 909435218 /nfs/dbraw/zinc/43/52/18/909435218.db2.gz IJYZBNWLZFVZSC-STQMWFEESA-N -1 3 380.275 3.952 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)n1 ZINC000636115378 909437201 /nfs/dbraw/zinc/43/72/01/909437201.db2.gz YCHVEXZMHLDXPU-LBPRGKRZSA-N -1 3 378.476 3.762 20 0 GHADHM COc1cc(C2(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)CCC2)ccc1C ZINC000636318631 909537864 /nfs/dbraw/zinc/53/78/64/909537864.db2.gz BSZLIRVRROZHJL-UHFFFAOYSA-N -1 3 381.476 3.505 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319623 909539758 /nfs/dbraw/zinc/53/97/58/909539758.db2.gz UTOXOOOBMZLTFV-UHFFFAOYSA-N -1 3 394.500 3.735 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc2)n1 ZINC000636322000 909543782 /nfs/dbraw/zinc/54/37/82/909543782.db2.gz ZGBWKOBBXAPXEQ-UHFFFAOYSA-N -1 3 395.488 3.888 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@]1(C)C1CCCCC1 ZINC000636387006 909566753 /nfs/dbraw/zinc/56/67/53/909566753.db2.gz RTNXIQHRBVWCCQ-HSZRJFAPSA-N -1 3 394.519 3.644 20 0 GHADHM O=C(C=Cc1cccc(C(F)(F)F)c1F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001179786844 909728690 /nfs/dbraw/zinc/72/86/90/909728690.db2.gz XKYIXWLHDBNBCF-BQYQJAHWSA-N -1 3 393.296 3.851 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccccc2Oc2ccncc2)c([O-])c(OC)c1 ZINC001179884587 909806255 /nfs/dbraw/zinc/80/62/55/909806255.db2.gz ZVKHTVKPZIHQCC-UHFFFAOYSA-N -1 3 394.383 3.627 20 0 GHADHM CC(C)[C@H](CO)N(Cc1ccccc1)Cc1ncc(Br)cc1[O-] ZINC001179931732 909812047 /nfs/dbraw/zinc/81/20/47/909812047.db2.gz RMUZWEOHXUKLIZ-KRWDZBQOSA-N -1 3 379.298 3.569 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)C1(c2cccc(F)c2)CC1 ZINC001179954431 909864875 /nfs/dbraw/zinc/86/48/75/909864875.db2.gz KLLGEQGOQQVGHY-UHFFFAOYSA-N -1 3 379.391 3.576 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)C1(c2cccc(F)c2)CC1 ZINC001179954431 909864878 /nfs/dbraw/zinc/86/48/78/909864878.db2.gz KLLGEQGOQQVGHY-UHFFFAOYSA-N -1 3 379.391 3.576 20 0 GHADHM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)[C@@H](C)N1CCCC1 ZINC001180584939 910256156 /nfs/dbraw/zinc/25/61/56/910256156.db2.gz MRBGITLQUQOKHZ-LLVKDONJSA-N -1 3 398.347 3.730 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cc(=O)[nH]c4ccccc43)n[n-]2)cc1 ZINC001180832975 910369481 /nfs/dbraw/zinc/36/94/81/910369481.db2.gz RJJPQWSZNMQAGI-UHFFFAOYSA-N -1 3 391.456 3.912 20 0 GHADHM COc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000269895756 910378399 /nfs/dbraw/zinc/37/83/99/910378399.db2.gz CIIREQRBHCHNNI-ZMZPIMSZSA-N -1 3 379.840 3.569 20 0 GHADHM COC[C@@](C)(CC(=O)[O-])NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000901794701 921572713 /nfs/dbraw/zinc/57/27/13/921572713.db2.gz JCWINLBQPSIZSL-HXUWFJFHSA-N -1 3 393.915 3.793 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1 ZINC000270059429 910422611 /nfs/dbraw/zinc/42/26/11/910422611.db2.gz PUNHNVXDKASCRB-MRXNPFEDSA-N -1 3 384.432 3.601 20 0 GHADHM CSCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nnc2ccccn21 ZINC000270306864 910511371 /nfs/dbraw/zinc/51/13/71/910511371.db2.gz DGRNUVZXAOOBRE-AWEZNQCLSA-N -1 3 394.422 3.571 20 0 GHADHM COc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)[C@H](C)CCCO)cc1 ZINC000640015408 910780465 /nfs/dbraw/zinc/78/04/65/910780465.db2.gz CFMGDFPQWOSBNW-CQSZACIVSA-N -1 3 387.505 3.569 20 0 GHADHM COCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Br)c2)cc1 ZINC000901826366 921605174 /nfs/dbraw/zinc/60/51/74/921605174.db2.gz CMJGUXYVFULNGX-QGZVFWFLSA-N -1 3 394.265 3.520 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C(C)C ZINC000271227076 910825692 /nfs/dbraw/zinc/82/56/92/910825692.db2.gz HNVDWIOVZJWQQI-UHFFFAOYSA-N -1 3 386.448 3.532 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292725 910954752 /nfs/dbraw/zinc/95/47/52/910954752.db2.gz NUOWYCRLKGDNGS-SECBINFHSA-N -1 3 378.757 3.885 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H](C2CCC2)CC1 ZINC000640298348 910958154 /nfs/dbraw/zinc/95/81/54/910958154.db2.gz FQJGQJVJOOEHMI-GFCCVEGCSA-N -1 3 378.826 3.955 20 0 GHADHM CCC(F)(F)C(C)(C)CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303301 910960300 /nfs/dbraw/zinc/96/03/00/910960300.db2.gz TWWCNFRZWDUKEP-UHFFFAOYSA-N -1 3 376.757 3.714 20 0 GHADHM O=C([N-]CC1N=NC(=S)N1C1CC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817530349 910998929 /nfs/dbraw/zinc/99/89/29/910998929.db2.gz XBYOEWYVYHWFRK-UHFFFAOYSA-N -1 3 393.246 3.617 20 0 GHADHM COc1cccc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)c1[O-] ZINC000273907148 911098402 /nfs/dbraw/zinc/09/84/02/911098402.db2.gz KHZONFPQZDNTSZ-GFCCVEGCSA-N -1 3 388.807 3.939 20 0 GHADHM CC[C@](NCc1c(C)nc2sc(C)nn21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871587 921667048 /nfs/dbraw/zinc/66/70/48/921667048.db2.gz DXJOMRYZMYDACX-QGZVFWFLSA-N -1 3 378.885 3.541 20 0 GHADHM O=C(COc1ccc(Oc2ccccc2)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000641893776 911573950 /nfs/dbraw/zinc/57/39/50/911573950.db2.gz MJUACEUFCYDXRR-UHFFFAOYSA-N -1 3 376.372 3.875 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3cnc4ccnn4c3C(F)F)n2)s1 ZINC001182569566 911875337 /nfs/dbraw/zinc/87/53/37/911875337.db2.gz QQVMQNHJJCTTEH-UHFFFAOYSA-N -1 3 392.416 3.808 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccccc1C(F)(F)F ZINC000642373362 912027588 /nfs/dbraw/zinc/02/75/88/912027588.db2.gz WDNGWLWDWYKGBU-UHFFFAOYSA-N -1 3 390.365 3.500 20 0 GHADHM CC(C)n1ccnc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000901898121 921714402 /nfs/dbraw/zinc/71/44/02/921714402.db2.gz ZSKWLWDMYSZGQK-CVEARBPZSA-N -1 3 392.297 3.527 20 0 GHADHM C[C@@H](CNc1ccccc1)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001182920229 912104341 /nfs/dbraw/zinc/10/43/41/912104341.db2.gz XOAXBPUKAQJJIB-LBPRGKRZSA-N -1 3 376.482 3.721 20 0 GHADHM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182968422 912157674 /nfs/dbraw/zinc/15/76/74/912157674.db2.gz DAJUTXIBPWWXGS-RDGATRHJSA-N -1 3 398.462 3.525 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)n[n-]2)o1 ZINC001182931356 912161283 /nfs/dbraw/zinc/16/12/83/912161283.db2.gz NLAXUXOHMGQCDO-ZDUSSCGKSA-N -1 3 391.472 3.641 20 0 GHADHM CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182974453 912196014 /nfs/dbraw/zinc/19/60/14/912196014.db2.gz JBRHSKUUQHOCPK-GOSISDBHSA-N -1 3 393.487 3.521 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(F)c1F ZINC001187001907 914968152 /nfs/dbraw/zinc/96/81/52/914968152.db2.gz JXSXJLIVCAEBSY-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000303801458 915159518 /nfs/dbraw/zinc/15/95/18/915159518.db2.gz LSGSTZUTOAIIQI-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]Cc1ccccc1Oc1ccc(Cl)cc1 ZINC001187409486 915228499 /nfs/dbraw/zinc/22/84/99/915228499.db2.gz BLPGSNMVOHUIRH-UHFFFAOYSA-N -1 3 378.837 3.907 20 0 GHADHM O=C(Cc1c[nH]c2cc(C(F)(F)F)ccc12)Nc1ccccc1-c1nnn[n-]1 ZINC001187458791 915266742 /nfs/dbraw/zinc/26/67/42/915266742.db2.gz LKUJXASPAZZZCS-UHFFFAOYSA-N -1 3 386.337 3.548 20 0 GHADHM O=C(Cc1c[nH]c2cc(C(F)(F)F)ccc12)Nc1ccccc1-c1nn[n-]n1 ZINC001187458791 915266754 /nfs/dbraw/zinc/26/67/54/915266754.db2.gz LKUJXASPAZZZCS-UHFFFAOYSA-N -1 3 386.337 3.548 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC001187458245 915266946 /nfs/dbraw/zinc/26/69/46/915266946.db2.gz UOBRBOURTQKEJD-UHFFFAOYSA-N -1 3 387.379 3.856 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cccc(Br)n1)c1ccccc1 ZINC001187564838 915363972 /nfs/dbraw/zinc/36/39/72/915363972.db2.gz LFDFWGOKKLYIDU-UHFFFAOYSA-N -1 3 397.338 3.880 20 0 GHADHM Cc1nn(C)c2sc(C(=O)Nc3nc(-c4ccc5ccccc5n4)n[n-]3)cc12 ZINC000647772555 915379060 /nfs/dbraw/zinc/37/90/60/915379060.db2.gz ZYXAQEFILQRKMK-UHFFFAOYSA-N -1 3 389.444 3.529 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1csnc1-c1ccccc1 ZINC000647905211 915432725 /nfs/dbraw/zinc/43/27/25/915432725.db2.gz IRBLYVPXXBPIHU-OAHLLOKOSA-N -1 3 390.461 3.751 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)ccc1OC(C)C ZINC000647918954 915438817 /nfs/dbraw/zinc/43/88/17/915438817.db2.gz FAXBHNUSTZONPI-UHFFFAOYSA-N -1 3 375.446 3.822 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccccc1SC[C@H](O)C(F)(F)F ZINC001187798574 915518751 /nfs/dbraw/zinc/51/87/51/915518751.db2.gz HOKACBWWMMAQLC-AWEZNQCLSA-N -1 3 397.378 3.536 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)CO2 ZINC001187996838 915673987 /nfs/dbraw/zinc/67/39/87/915673987.db2.gz DIWLQWGBBLUREF-ZDUSSCGKSA-N -1 3 375.343 3.565 20 0 GHADHM CCCOc1cc(OC)ccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431957 915699200 /nfs/dbraw/zinc/69/92/00/915699200.db2.gz KYPDQRGXGVKTPV-UHFFFAOYSA-N -1 3 391.777 3.570 20 0 GHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@H]1c1cccnc1 ZINC000292554292 915738305 /nfs/dbraw/zinc/73/83/05/915738305.db2.gz KJCLVDSAHBMTTE-INIZCTEOSA-N -1 3 390.281 3.842 20 0 GHADHM O=S(=O)([N-]Cc1c(F)ccc(F)c1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188079392 915741401 /nfs/dbraw/zinc/74/14/01/915741401.db2.gz WRKGTMPIXGQMGO-UHFFFAOYSA-N -1 3 387.622 3.799 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1[O-] ZINC000648903949 915931900 /nfs/dbraw/zinc/93/19/00/915931900.db2.gz JSVCCOCBYJTZAR-UHFFFAOYSA-N -1 3 381.428 3.817 20 0 GHADHM Cc1nc2c3ccccc3nc(SCc3noc(-c4ccccc4[O-])n3)n2n1 ZINC000360159848 915967170 /nfs/dbraw/zinc/96/71/70/915967170.db2.gz VGSTVCMIOAIZPQ-UHFFFAOYSA-N -1 3 390.428 3.634 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Br)c2)c(F)c1 ZINC001188685213 916109499 /nfs/dbraw/zinc/10/94/99/916109499.db2.gz ZOAIGCADYWLNMY-UHFFFAOYSA-N -1 3 386.242 3.733 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2ccc3ccccn32)n1 ZINC001188931257 916294915 /nfs/dbraw/zinc/29/49/15/916294915.db2.gz ZHGMOJKJWTZQOD-UHFFFAOYSA-N -1 3 397.232 3.845 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)[C@H]1C[C@H]1C ZINC000649647054 916295323 /nfs/dbraw/zinc/29/53/23/916295323.db2.gz IEDXCQZBYUMSBK-XIKOKIGWSA-N -1 3 376.453 3.696 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1c2ccccc2CCC[C@@H]1C ZINC001188994429 916328011 /nfs/dbraw/zinc/32/80/11/916328011.db2.gz FDUHUHNSCYETIX-ORAYPTAESA-N -1 3 391.464 3.604 20 0 GHADHM O=S(=O)([N-]c1cnccc1Cl)c1cc(F)c(Br)c(F)c1 ZINC001189009228 916337141 /nfs/dbraw/zinc/33/71/41/916337141.db2.gz MPHUANIIVJWPEY-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(-c2ccccc2)s1 ZINC001189010461 916338137 /nfs/dbraw/zinc/33/81/37/916338137.db2.gz LYGKPAWQJCKDIF-INIZCTEOSA-N -1 3 380.535 3.746 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)c2ccc(CO)o2)onc1-c1ccccc1 ZINC001189145545 916429633 /nfs/dbraw/zinc/42/96/33/916429633.db2.gz AIIINANEKYSLOV-UHFFFAOYSA-N -1 3 384.388 3.635 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)c1 ZINC001189191313 916450436 /nfs/dbraw/zinc/45/04/36/916450436.db2.gz DICTWZMRPJMLFD-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CCC2(CCCCC2)CC1 ZINC001189238668 916485505 /nfs/dbraw/zinc/48/55/05/916485505.db2.gz LAJGFOXIAZNDDS-UHFFFAOYSA-N -1 3 383.485 3.784 20 0 GHADHM CCCCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)cc1 ZINC001189309781 916541316 /nfs/dbraw/zinc/54/13/16/916541316.db2.gz MURNPMAJBZPGIX-UHFFFAOYSA-N -1 3 383.416 3.864 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1F ZINC001189531542 916726802 /nfs/dbraw/zinc/72/68/02/916726802.db2.gz IQFCXBWVHDDMSE-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ncc(Cl)cc1Br ZINC001189643554 916767502 /nfs/dbraw/zinc/76/75/02/916767502.db2.gz DQGDGPQNBCURAK-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc(Br)c1F ZINC001189688377 916808680 /nfs/dbraw/zinc/80/86/80/916808680.db2.gz GMHOMHDJKYUGBT-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cnc(Br)c(Cl)c1 ZINC001189650875 916812743 /nfs/dbraw/zinc/81/27/43/916812743.db2.gz HYSGVHHWTFMTDY-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc(F)c(Br)c1F ZINC001189689587 916829829 /nfs/dbraw/zinc/82/98/29/916829829.db2.gz CWQQWMQHECMJHS-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1F ZINC000650301852 916869171 /nfs/dbraw/zinc/86/91/71/916869171.db2.gz BMWFNVPYGNHKSB-UHFFFAOYSA-N -1 3 383.872 3.549 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000294625175 916897083 /nfs/dbraw/zinc/89/70/83/916897083.db2.gz HFWINYWWGNNTHB-MSOLQXFVSA-N -1 3 380.492 3.522 20 0 GHADHM O=C(Nc1ccccc1CN1CCCC1=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766568 916901664 /nfs/dbraw/zinc/90/16/64/916901664.db2.gz LEONDDQCRHSAFL-UHFFFAOYSA-N -1 3 394.349 3.666 20 0 GHADHM COc1cccc2c1SC[C@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C2 ZINC001189774745 916908478 /nfs/dbraw/zinc/90/84/78/916908478.db2.gz AMGWGUVLDZLEEX-LLVKDONJSA-N -1 3 399.390 3.746 20 0 GHADHM O=C(NC[C@@H](O)c1cc2ccccc2o1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189774877 916910301 /nfs/dbraw/zinc/91/03/01/916910301.db2.gz HQLWBKYMVCPQEE-GFCCVEGCSA-N -1 3 381.306 3.500 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cccc(OC(F)(F)F)c1F ZINC001189827905 916952044 /nfs/dbraw/zinc/95/20/44/916952044.db2.gz ZRKFWIXSJMWCDM-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1c(C)cccc1CC)OCC ZINC001189948403 917013325 /nfs/dbraw/zinc/01/33/25/917013325.db2.gz YTDRLGZJGIGHAO-UHFFFAOYSA-N -1 3 388.468 3.639 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000650505236 917040785 /nfs/dbraw/zinc/04/07/85/917040785.db2.gz XITJFMAUWPVFOV-JTSKRJEESA-N -1 3 398.528 3.551 20 0 GHADHM CCc1cc(C(=O)[N-]c2cc(C(=O)OC(C)(C)C)ncc2Br)no1 ZINC001189996802 917054538 /nfs/dbraw/zinc/05/45/38/917054538.db2.gz WMCOGMQUDZYJNV-UHFFFAOYSA-N -1 3 396.241 3.602 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC(n3ccc4ccccc43)CC2)c(OC)c1 ZINC001190127701 917144517 /nfs/dbraw/zinc/14/45/17/917144517.db2.gz DYJBIEPQWXSQFR-UHFFFAOYSA-N -1 3 380.444 3.841 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c(OC)c1 ZINC001190129095 917146131 /nfs/dbraw/zinc/14/61/31/917146131.db2.gz LQFCMWBIZKLVOM-UHFFFAOYSA-N -1 3 381.350 3.627 20 0 GHADHM Cc1n[nH]c(C)c1-c1ccccc1C(=O)Nc1ncc([O-])cc1Br ZINC001190157327 917158292 /nfs/dbraw/zinc/15/82/92/917158292.db2.gz QLOWXKXGNPFGJF-UHFFFAOYSA-N -1 3 387.237 3.809 20 0 GHADHM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(CO)ccc1Cl ZINC001190259486 917216719 /nfs/dbraw/zinc/21/67/19/917216719.db2.gz MTKDWRVHSCWCLA-UHFFFAOYSA-N -1 3 395.786 3.661 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)c[nH]c-2c1 ZINC001190294323 917250157 /nfs/dbraw/zinc/25/01/57/917250157.db2.gz HAVDYNHOCXOGDB-UHFFFAOYSA-N -1 3 386.326 3.899 20 0 GHADHM O=S(=O)([N-]Cc1cnc2ccccc2c1)c1cc(C(F)(F)F)ccc1F ZINC001190328161 917262355 /nfs/dbraw/zinc/26/23/55/917262355.db2.gz HTFGQDNEPAIBFE-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)cccc21)c1cc(C(F)(F)F)ccc1F ZINC001190338986 917270481 /nfs/dbraw/zinc/27/04/81/917270481.db2.gz BIHUFRJEDCWXRC-CYBMUJFWSA-N -1 3 393.333 3.786 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(F)c1)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350601 917278410 /nfs/dbraw/zinc/27/84/10/917278410.db2.gz PEHXQONRGRECJR-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccc1F)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350625 917278952 /nfs/dbraw/zinc/27/89/52/917278952.db2.gz PORCLVMOIGINRZ-AWEZNQCLSA-N -1 3 392.349 3.808 20 0 GHADHM CC(C)(Cc1cccnc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190350996 917279946 /nfs/dbraw/zinc/27/99/46/917279946.db2.gz YNRQYKWVFUOWJF-UHFFFAOYSA-N -1 3 376.375 3.539 20 0 GHADHM O=C(NCc1ccc(F)cc1)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295420355 917308392 /nfs/dbraw/zinc/30/83/92/917308392.db2.gz SFCLEDOJLRZSND-UHFFFAOYSA-N -1 3 376.859 3.713 20 0 GHADHM CCOc1ncc(Br)cc1C(=O)[N-]c1c(Cl)cnnc1Cl ZINC001190457151 917356912 /nfs/dbraw/zinc/35/69/12/917356912.db2.gz LKLSRFFSBUKDBR-UHFFFAOYSA-N -1 3 392.040 3.592 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)CCOCC(F)(F)C(F)F ZINC000295951359 917651720 /nfs/dbraw/zinc/65/17/20/917651720.db2.gz GSCYJMVTAUSFOB-UHFFFAOYSA-N -1 3 388.155 3.709 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccco1 ZINC000651634099 917683531 /nfs/dbraw/zinc/68/35/31/917683531.db2.gz OFZWMNKAYGYXAL-SNVBAGLBSA-N -1 3 384.306 3.845 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C1CC1 ZINC001191333834 917939120 /nfs/dbraw/zinc/93/91/20/917939120.db2.gz RWNOOLPLWSVJKH-KBPBESRZSA-N -1 3 393.530 3.793 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]2(C)CC(C)C)c1 ZINC000296390704 918220768 /nfs/dbraw/zinc/22/07/68/918220768.db2.gz WQFHOQPULLBAEO-OAQYLSRUSA-N -1 3 385.464 3.982 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C2(c3cccc(OC(F)(F)F)c3)CC2)s1 ZINC001191856735 918238148 /nfs/dbraw/zinc/23/81/48/918238148.db2.gz PQDOICCPEFRFHJ-UHFFFAOYSA-N -1 3 392.424 3.572 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ncco2)c(F)c1F ZINC001191829059 918252619 /nfs/dbraw/zinc/25/26/19/918252619.db2.gz PYVPZNBHQHHIMR-AWEZNQCLSA-N -1 3 378.400 3.524 20 0 GHADHM COC(=O)Cc1ccccc1C(=O)[N-]c1c(SC)cc(C)nc1SC ZINC001191831732 918254545 /nfs/dbraw/zinc/25/45/45/918254545.db2.gz PCQRFODLQAEJGY-UHFFFAOYSA-N -1 3 376.503 3.802 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(F)c(OC)c3F)ccc2c1 ZINC001191966600 918341309 /nfs/dbraw/zinc/34/13/09/918341309.db2.gz WFHTUTOXYZMGCX-UHFFFAOYSA-N -1 3 379.384 3.936 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 ZINC000297017365 918983013 /nfs/dbraw/zinc/98/30/13/918983013.db2.gz QEHUIPDDZMIFAF-BPXKWBHBSA-N -1 3 382.435 3.692 20 0 GHADHM CCCOc1ccc(OCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000015621636 919380695 /nfs/dbraw/zinc/38/06/95/919380695.db2.gz GIYXJDWAYFBYIT-UHFFFAOYSA-N -1 3 397.258 3.622 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000119454123 919631721 /nfs/dbraw/zinc/63/17/21/919631721.db2.gz IGQSLJPLNLFFTK-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM Cc1sc(CCNCc2c(Cl)cccc2OC(F)F)nc1C(=O)[O-] ZINC000900058433 919783653 /nfs/dbraw/zinc/78/36/53/919783653.db2.gz CDUMMWDPFKMFCT-UHFFFAOYSA-N -1 3 376.812 3.737 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900072065 919801582 /nfs/dbraw/zinc/80/15/82/919801582.db2.gz SIHVJTFCQNSKDH-UHFFFAOYSA-N -1 3 392.381 3.931 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900128879 919892128 /nfs/dbraw/zinc/89/21/28/919892128.db2.gz YZENCGFOJPBJHC-JTQLQIEISA-N -1 3 376.254 3.655 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cnc(C2CC2)[n-]c1=O ZINC000900345867 920228838 /nfs/dbraw/zinc/22/88/38/920228838.db2.gz ASACMXMXWLVIKC-CYBMUJFWSA-N -1 3 389.839 3.523 20 0 GHADHM CC(C)N(Cc1cccc(Br)c1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900364017 920247216 /nfs/dbraw/zinc/24/72/16/920247216.db2.gz KQBFCTLPHNWVBM-UHFFFAOYSA-N -1 3 390.281 3.873 20 0 GHADHM CC(C)(CNC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(Br)c1 ZINC000900497641 920346166 /nfs/dbraw/zinc/34/61/66/920346166.db2.gz GRUXFFWQJZTARR-UHFFFAOYSA-N -1 3 390.281 3.530 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000298339667 920420506 /nfs/dbraw/zinc/42/05/06/920420506.db2.gz GKRFYOHMSWLAOD-UHFFFAOYSA-N -1 3 395.362 3.547 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000298339667 920420517 /nfs/dbraw/zinc/42/05/17/920420517.db2.gz GKRFYOHMSWLAOD-UHFFFAOYSA-N -1 3 395.362 3.547 20 0 GHADHM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000801094504 920775408 /nfs/dbraw/zinc/77/54/08/920775408.db2.gz YQKGDVZMCPLHOP-CQSZACIVSA-N -1 3 398.544 3.943 20 0 GHADHM O=C([O-])CC1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000901418426 921089092 /nfs/dbraw/zinc/08/90/92/921089092.db2.gz DVOXVNAVUDUCMQ-UHFFFAOYSA-N -1 3 384.299 3.587 20 0 GHADHM CCOc1cc(CN2CCCCC[C@@H]2C(=O)[O-])cc(Br)c1OC ZINC000902039546 921830146 /nfs/dbraw/zinc/83/01/46/921830146.db2.gz YTYGKMWGJFKWQB-CQSZACIVSA-N -1 3 386.286 3.686 20 0 GHADHM CON1CC[C@@H](S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1=O ZINC000902284497 922058372 /nfs/dbraw/zinc/05/83/72/922058372.db2.gz XZKZMBFFXYMGGP-BXKDBHETSA-N -1 3 391.474 3.613 20 0 GHADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902694769 922410806 /nfs/dbraw/zinc/41/08/06/922410806.db2.gz OLAFTWLJHCGOOL-GDWUOILNSA-N -1 3 382.460 3.504 20 0 GHADHM Cc1csc(CC[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000902797859 922503259 /nfs/dbraw/zinc/50/32/59/922503259.db2.gz JLFOQNJMVMNNIM-UHFFFAOYSA-N -1 3 399.772 3.969 20 0 GHADHM C[C@@H]1COCC[C@H]1C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902935747 922617198 /nfs/dbraw/zinc/61/71/98/922617198.db2.gz VPPVFDOQKUFVQI-BDAKNGLRSA-N -1 3 386.748 3.634 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803279522 922851226 /nfs/dbraw/zinc/85/12/26/922851226.db2.gz JTHFMVGNKQAPOM-MJGOQNOKSA-N -1 3 385.847 3.881 20 0 GHADHM O=C(O[C@H]1CCc2cc(Cl)ccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803280492 922851402 /nfs/dbraw/zinc/85/14/02/922851402.db2.gz YZLQWEVLJUVXCK-HKUYNNGSSA-N -1 3 385.847 3.881 20 0 GHADHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(OCc2ccccc2F)cc1 ZINC000903600139 923116424 /nfs/dbraw/zinc/11/64/24/923116424.db2.gz DEIFLZKWTDKQBQ-QGZVFWFLSA-N -1 3 375.465 3.797 20 0 GHADHM CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C[C@](C)(O)C(=O)[O-] ZINC000903606531 923121649 /nfs/dbraw/zinc/12/16/49/923121649.db2.gz CBUCRCQPEBMSRN-SFHVURJKSA-N -1 3 385.794 3.678 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)c(C2CCCC2)n1 ZINC000903634541 923143481 /nfs/dbraw/zinc/14/34/81/923143481.db2.gz IRVSYLKJMDENDD-UHFFFAOYSA-N -1 3 375.281 3.580 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(Br)cnn1C1CC1 ZINC000903673155 923182987 /nfs/dbraw/zinc/18/29/87/923182987.db2.gz DZCMDRPRLKDSMK-UHFFFAOYSA-N -1 3 390.690 3.743 20 0 GHADHM CCOC(=O)c1csc(CC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)n1 ZINC000903694093 923211159 /nfs/dbraw/zinc/21/11/59/923211159.db2.gz PIQVXQXBPDCASQ-UHFFFAOYSA-N -1 3 394.518 3.534 20 0 GHADHM O=C([O-])[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1Br ZINC000903917651 923397666 /nfs/dbraw/zinc/39/76/66/923397666.db2.gz YDHRKKRCAYCTMG-OASPWFOLSA-N -1 3 396.203 3.664 20 0 GHADHM Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c1Br ZINC000903941577 923417482 /nfs/dbraw/zinc/41/74/82/923417482.db2.gz QIYJAXUVCOMFHU-BPUTZDHNSA-N -1 3 382.298 3.602 20 0 GHADHM Cn1c(Cl)nc(Cl)c1CNC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000903990877 923453301 /nfs/dbraw/zinc/45/33/01/923453301.db2.gz DBWBCUKAWFZZPV-SNVBAGLBSA-N -1 3 376.671 3.728 20 0 GHADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1c[n-]c2ccccc2c1=O ZINC000370447187 924097487 /nfs/dbraw/zinc/09/74/87/924097487.db2.gz KXDFLBKSWAGXFF-UHFFFAOYSA-N -1 3 387.361 3.658 20 0 GHADHM Cc1cc(F)ccc1CCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001137293640 924322129 /nfs/dbraw/zinc/32/21/29/924322129.db2.gz VKKJSUMPLMBEBB-UHFFFAOYSA-N -1 3 379.457 3.910 20 0 GHADHM COc1cccc(-c2n[nH]cc2CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000678130442 924622711 /nfs/dbraw/zinc/62/27/11/924622711.db2.gz QBUDDOGEQGZGLG-UHFFFAOYSA-N -1 3 391.471 3.886 20 0 GHADHM CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000371832616 924892207 /nfs/dbraw/zinc/89/22/07/924892207.db2.gz OQTYQRDBNPNWFR-SFTDATJTSA-N -1 3 397.471 3.577 20 0 GHADHM O=C(Nc1c([O-])cccc1F)c1cccc(C(=O)Nc2c(O)cccc2F)c1 ZINC000678799333 924928910 /nfs/dbraw/zinc/92/89/10/924928910.db2.gz VBZPNABKAMSXDJ-UHFFFAOYSA-N -1 3 384.338 3.881 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000371923131 924992600 /nfs/dbraw/zinc/99/26/00/924992600.db2.gz CBUGLKPVXQNIFX-WTDALBQZSA-N -1 3 382.308 3.911 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000371923131 924992608 /nfs/dbraw/zinc/99/26/08/924992608.db2.gz CBUGLKPVXQNIFX-WTDALBQZSA-N -1 3 382.308 3.911 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cc(F)ccc1Br ZINC000409899794 925123582 /nfs/dbraw/zinc/12/35/82/925123582.db2.gz JKRZNHLJENVEHS-UHFFFAOYSA-N -1 3 386.233 3.692 20 0 GHADHM COc1ccccc1-c1nnc(SCc2noc(-c3ccccc3[O-])n2)o1 ZINC000372536438 925519237 /nfs/dbraw/zinc/51/92/37/925519237.db2.gz HIBRNFPKJIIHFK-UHFFFAOYSA-N -1 3 382.401 3.793 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)cc1 ZINC000410371989 925580283 /nfs/dbraw/zinc/58/02/83/925580283.db2.gz MELMSXSABWAFNB-UHFFFAOYSA-N -1 3 380.517 3.645 20 0 GHADHM O=C(c1ccc([O-])c(F)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000681016487 925694369 /nfs/dbraw/zinc/69/43/69/925694369.db2.gz YNTSWWBWRMMEQJ-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC000681370969 925802206 /nfs/dbraw/zinc/80/22/06/925802206.db2.gz AARVCGXVJGPPMK-HNNXBMFYSA-N -1 3 377.359 3.590 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681759155 925902167 /nfs/dbraw/zinc/90/21/67/925902167.db2.gz MDITUHKOFULTRV-LIRRHRJNSA-N -1 3 388.464 3.641 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)s1 ZINC000373452770 926144407 /nfs/dbraw/zinc/14/44/07/926144407.db2.gz IHANDLRXOBJACF-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@](OC)(C(F)(F)F)C2)c([O-])c1 ZINC000682812245 926258394 /nfs/dbraw/zinc/25/83/94/926258394.db2.gz PHTQXFHENQDAGJ-KRWDZBQOSA-N -1 3 375.387 3.755 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)CC(C)(C)C3CCCCC3)CC2)n[n-]1 ZINC000373579965 926263069 /nfs/dbraw/zinc/26/30/69/926263069.db2.gz UTYDUYOOLOYYQX-UHFFFAOYSA-N -1 3 390.528 3.684 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)CC(C)(C)C3CCCCC3)CC2)[n-]1 ZINC000373579965 926263079 /nfs/dbraw/zinc/26/30/79/926263079.db2.gz UTYDUYOOLOYYQX-UHFFFAOYSA-N -1 3 390.528 3.684 20 0 GHADHM CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000725885876 926480482 /nfs/dbraw/zinc/48/04/82/926480482.db2.gz BRHYGHOSPCQQKR-IBGZPJMESA-N -1 3 396.487 3.528 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000726207816 926588411 /nfs/dbraw/zinc/58/84/11/926588411.db2.gz UERRQAMQANNXNA-UHFFFAOYSA-N -1 3 381.350 3.583 20 0 GHADHM CCOC(=O)c1c(C)c2ccccc2nc1CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000749792611 927272458 /nfs/dbraw/zinc/27/24/58/927272458.db2.gz ZCAUHLMTSSDSAM-UHFFFAOYSA-N -1 3 392.455 3.819 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3OCCc4ccccc43)nc(=O)c2c1C ZINC000750055989 927409588 /nfs/dbraw/zinc/40/95/88/927409588.db2.gz PSYHIRYKEZDLCG-BDJLRTHQSA-N -1 3 384.457 3.932 20 0 GHADHM CCOc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(F)(F)F ZINC000750903206 927928916 /nfs/dbraw/zinc/92/89/16/927928916.db2.gz AJIDJNAZXITGTI-OQLLNIDSSA-N -1 3 391.345 3.837 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1[O-] ZINC000751389718 928167336 /nfs/dbraw/zinc/16/73/36/928167336.db2.gz VWKKCSFHKPTNPV-QGZVFWFLSA-N -1 3 390.277 3.931 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)c1c(F)cccc1Cl ZINC000751473987 928209028 /nfs/dbraw/zinc/20/90/28/928209028.db2.gz JJTVACVSXAPBIR-GLEZIHRCSA-N -1 3 396.242 3.672 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1c(F)cccc1Cl ZINC000751479006 928213282 /nfs/dbraw/zinc/21/32/82/928213282.db2.gz WFLSETPVXASRIT-VXJOIVPMSA-N -1 3 396.242 3.672 20 0 GHADHM COC(=O)[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(F)c(C)c1 ZINC000466949975 928533031 /nfs/dbraw/zinc/53/30/31/928533031.db2.gz RQBZHLIELXZDQN-QGZVFWFLSA-N -1 3 395.390 3.533 20 0 GHADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(Cl)s3)nc(=O)c2c1C ZINC000544045726 928729846 /nfs/dbraw/zinc/72/98/46/928729846.db2.gz SLDCNKOCTXAABP-UHFFFAOYSA-N -1 3 396.877 3.610 20 0 GHADHM Cc1ccc(CNC(=O)NCc2cnc(C)[n-]c2=O)c(Oc2ccccc2)c1 ZINC000544141958 928858938 /nfs/dbraw/zinc/85/89/38/928858938.db2.gz LQMNBLYZMYGELB-UHFFFAOYSA-N -1 3 378.432 3.591 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)cc1 ZINC000753014587 929157836 /nfs/dbraw/zinc/15/78/36/929157836.db2.gz BMVSTUWHYDPWRR-OAQYLSRUSA-N -1 3 398.484 3.671 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000753612798 929446336 /nfs/dbraw/zinc/44/63/36/929446336.db2.gz ZENLULVIMBTBPJ-MXBGMFSPSA-N -1 3 376.400 3.762 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c1Cl ZINC000545927709 929684711 /nfs/dbraw/zinc/68/47/11/929684711.db2.gz XXLSEHPDZKSBMM-CVEARBPZSA-N -1 3 378.321 3.785 20 0 GHADHM CCc1cc2c(CN3CC(c4nc5ccccc5[nH]4)C3)cc(=O)oc2cc1[O-] ZINC000757349561 929696893 /nfs/dbraw/zinc/69/68/93/929696893.db2.gz USCLFGYHMXTXMC-UHFFFAOYSA-N -1 3 375.428 3.537 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000757610737 929744442 /nfs/dbraw/zinc/74/44/42/929744442.db2.gz KXTAXZVQVMSRKS-IBGZPJMESA-N -1 3 396.384 3.828 20 0 GHADHM CCOc1c(Cl)cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)cc1OC ZINC000546249011 929990920 /nfs/dbraw/zinc/99/09/20/929990920.db2.gz FABPHSVXJOLMNI-UHFFFAOYSA-N -1 3 390.827 3.501 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)C[C@H](O)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000758483920 930058579 /nfs/dbraw/zinc/05/85/79/930058579.db2.gz SQZYZZYEFUWRLS-VLIAUNLRSA-N -1 3 392.459 3.791 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)s1 ZINC000469876757 930229130 /nfs/dbraw/zinc/22/91/30/930229130.db2.gz ZELIEBRRDDKUQE-UHFFFAOYSA-N -1 3 378.454 3.816 20 0 GHADHM O=S(=O)([N-]CCNc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000759100664 930272656 /nfs/dbraw/zinc/27/26/56/930272656.db2.gz MAXRFLRVSNLGML-UHFFFAOYSA-N -1 3 378.803 3.749 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759394337 930357501 /nfs/dbraw/zinc/35/75/01/930357501.db2.gz ZALQXIZDBKHJKX-INIZCTEOSA-N -1 3 379.453 3.684 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(F)cc(F)cc1F ZINC000759460550 930376254 /nfs/dbraw/zinc/37/62/54/930376254.db2.gz PKNVCEXNIIJAPA-QMMMGPOBSA-N -1 3 391.342 3.533 20 0 GHADHM CCC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000546752076 930401988 /nfs/dbraw/zinc/40/19/88/930401988.db2.gz TVFNDCSXRVAZSB-CQSZACIVSA-N -1 3 393.484 3.749 20 0 GHADHM CCc1cc2c(CN3CCO[C@](C)(c4ccccc4)C3)cc(=O)oc2cc1[O-] ZINC000759756843 930479285 /nfs/dbraw/zinc/47/92/85/930479285.db2.gz XBUTZIJUNWIJIA-QHCPKHFHSA-N -1 3 379.456 3.809 20 0 GHADHM CC(C)S[C@@H]1CCCC[C@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000781492553 930498086 /nfs/dbraw/zinc/49/80/86/930498086.db2.gz PIWVICCTTZLCIW-HZPDHXFCSA-N -1 3 389.514 3.807 20 0 GHADHM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CCC2 ZINC000780564372 930548994 /nfs/dbraw/zinc/54/89/94/930548994.db2.gz AFSGRJNTFIEJSE-LLVKDONJSA-N -1 3 389.308 3.522 20 0 GHADHM O=C(Cc1cccc2cccnc21)[N-]OCc1ccc(F)cc1Br ZINC000781125746 930708674 /nfs/dbraw/zinc/70/86/74/930708674.db2.gz XTSBFIPXSXPGLZ-UHFFFAOYSA-N -1 3 389.224 3.927 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000781761061 930965601 /nfs/dbraw/zinc/96/56/01/930965601.db2.gz DOURZPRAGOFBQK-CYBMUJFWSA-N -1 3 394.299 3.850 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1nc2c(s1)CCC2 ZINC000557096020 931208935 /nfs/dbraw/zinc/20/89/35/931208935.db2.gz NMIIWCIZMDTPOK-SNVBAGLBSA-N -1 3 380.466 3.865 20 0 GHADHM O=C(CSc1nc2ccccc2s1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782472057 931233765 /nfs/dbraw/zinc/23/37/65/931233765.db2.gz VIKBBAFAYGELTF-UHFFFAOYSA-N -1 3 399.453 3.887 20 0 GHADHM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000557178988 931248838 /nfs/dbraw/zinc/24/88/38/931248838.db2.gz PSHOPYBUELNVSS-QRWLVFNGSA-N -1 3 377.440 3.696 20 0 GHADHM CC(C)c1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)nn1C(C)(C)C ZINC000783023791 931387620 /nfs/dbraw/zinc/38/76/20/931387620.db2.gz JIFVIMREGYQMAF-UHFFFAOYSA-N -1 3 384.436 3.874 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000557394193 931397038 /nfs/dbraw/zinc/39/70/38/931397038.db2.gz BSNWWUPDRQNUPV-UHFFFAOYSA-N -1 3 382.185 3.514 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1Cl ZINC000783064700 931399517 /nfs/dbraw/zinc/39/95/17/931399517.db2.gz UUNIWIOECYNVHZ-LBPRGKRZSA-N -1 3 388.807 3.915 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783074424 931402320 /nfs/dbraw/zinc/40/23/20/931402320.db2.gz GRBAFKRGBBOTLH-LBPRGKRZSA-N -1 3 386.429 3.675 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccccc1Oc1ccccn1 ZINC000783768131 931649252 /nfs/dbraw/zinc/64/92/52/931649252.db2.gz AAVSOSJWZMWQDY-UHFFFAOYSA-N -1 3 389.367 3.987 20 0 GHADHM CC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccs1 ZINC000697557593 931667787 /nfs/dbraw/zinc/66/77/87/931667787.db2.gz NOSSKWYYDQQRHK-CYBMUJFWSA-N -1 3 378.498 3.509 20 0 GHADHM COc1cccc(CC2CCN(Cn3[n-]c(-c4ccccn4)nc3=S)CC2)c1 ZINC000784008149 931753283 /nfs/dbraw/zinc/75/32/83/931753283.db2.gz GOXIKRBKRIBKDI-UHFFFAOYSA-N -1 3 395.532 3.923 20 0 GHADHM Cc1ccc(NC(=O)C[C@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000558476607 932025061 /nfs/dbraw/zinc/02/50/61/932025061.db2.gz YLOKWLKMVZCPPM-UONOGXRCSA-N -1 3 376.453 3.920 20 0 GHADHM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000559106905 932440017 /nfs/dbraw/zinc/44/00/17/932440017.db2.gz MGVBCXBPFCSHHW-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc(F)cn3)cc2)cc1 ZINC000798154741 932547082 /nfs/dbraw/zinc/54/70/82/932547082.db2.gz OOWHTQOVDSISKQ-UHFFFAOYSA-N -1 3 399.447 3.511 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1Cl ZINC000559341454 932613903 /nfs/dbraw/zinc/61/39/03/932613903.db2.gz DDKSGLZTIKHPIK-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799173528 932897220 /nfs/dbraw/zinc/89/72/20/932897220.db2.gz CYRPJQMMMBRFDD-UHFFFAOYSA-N -1 3 387.427 3.602 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)c(C2CC2)n1 ZINC000799186357 932904674 /nfs/dbraw/zinc/90/46/74/932904674.db2.gz UBMIWIZIGAVZHK-BQYQJAHWSA-N -1 3 394.294 3.838 20 0 GHADHM CC[C@H]1CC[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000559989075 933002361 /nfs/dbraw/zinc/00/23/61/933002361.db2.gz HUALIRFSIVSPHX-NWDGAFQWSA-N -1 3 390.241 3.914 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799917392 933166245 /nfs/dbraw/zinc/16/62/45/933166245.db2.gz UASPERMEAGGILA-VAWYXSNFSA-N -1 3 377.441 3.768 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)o1 ZINC001115905500 933238859 /nfs/dbraw/zinc/23/88/59/933238859.db2.gz XHGLXSLASLJBHH-GFCCVEGCSA-N -1 3 396.484 3.603 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1csc(-c2cccc(Cl)c2)n1 ZINC000560545153 933331313 /nfs/dbraw/zinc/33/13/13/933331313.db2.gz NWNMRMBDPOXIGW-UHFFFAOYSA-N -1 3 383.658 3.623 20 0 GHADHM Cc1noc(C)c1CO[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000560610632 933386024 /nfs/dbraw/zinc/38/60/24/933386024.db2.gz ZVOIFACSYDKSQT-AWEZNQCLSA-N -1 3 381.270 3.551 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(C(=O)Nc2cccc(O)c2F)c1 ZINC001116469026 933576726 /nfs/dbraw/zinc/57/67/26/933576726.db2.gz QAHKGEHUJANBNS-UHFFFAOYSA-N -1 3 384.338 3.881 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000560822180 933588160 /nfs/dbraw/zinc/58/81/60/933588160.db2.gz BZMZMQQBYKIQBY-UHFFFAOYSA-N -1 3 394.805 3.815 20 0 GHADHM Cn1cc([C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2)cn1 ZINC001116546907 933625588 /nfs/dbraw/zinc/62/55/88/933625588.db2.gz AJJOQMQGYABDNQ-IBGZPJMESA-N -1 3 385.427 3.694 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2ccccc2C)cc1OC ZINC000930307127 933973522 /nfs/dbraw/zinc/97/35/22/933973522.db2.gz ZHRCUVWSWYXDTJ-CQSZACIVSA-N -1 3 376.478 3.507 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nc(C(C)C)ncc2Br)s1 ZINC000930417226 934037169 /nfs/dbraw/zinc/03/71/69/934037169.db2.gz KOMWMYAKPXGPPZ-UHFFFAOYSA-N -1 3 384.303 3.809 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc2ccc(Cl)nc2cc1F ZINC001118440979 934171567 /nfs/dbraw/zinc/17/15/67/934171567.db2.gz NREXCGQAQBCWLA-MXWKQRLJSA-N -1 3 390.814 3.739 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538061 934252771 /nfs/dbraw/zinc/25/27/71/934252771.db2.gz HYJBXQRKHDMPJB-GXFFZTMASA-N -1 3 399.406 3.596 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001121810577 934770616 /nfs/dbraw/zinc/77/06/16/934770616.db2.gz LGBXSOSMTISCOR-VQTJNVASSA-N -1 3 387.524 3.643 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000562389248 934847324 /nfs/dbraw/zinc/84/73/24/934847324.db2.gz DDQBBAGLAINSON-PXNSSMCTSA-N -1 3 386.536 3.834 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001122577796 934906568 /nfs/dbraw/zinc/90/65/68/934906568.db2.gz MGUWOBWLLFOZII-YJBOKZPZSA-N -1 3 397.479 3.653 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(N(C)C)c(Cl)c3)c2)n1 ZINC001125150296 935536031 /nfs/dbraw/zinc/53/60/31/935536031.db2.gz XKXMPXNEKNKGNO-UHFFFAOYSA-N -1 3 397.866 3.778 20 0 GHADHM CCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCC1 ZINC001137546171 935575949 /nfs/dbraw/zinc/57/59/49/935575949.db2.gz MJBNGYMFSMMHGM-KRWDZBQOSA-N -1 3 384.517 3.601 20 0 GHADHM CC(=O)N[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(Br)c1 ZINC001137701775 935732902 /nfs/dbraw/zinc/73/29/02/935732902.db2.gz LDCJQMXNVJESBG-HNNXBMFYSA-N -1 3 397.656 3.624 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829719361 935850891 /nfs/dbraw/zinc/85/08/91/935850891.db2.gz DGJBSFJRPYWBFG-UHFFFAOYSA-N -1 3 376.434 3.597 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCOCc2ccc(OC)cc2)c([O-])c1 ZINC001137937681 935880418 /nfs/dbraw/zinc/88/04/18/935880418.db2.gz DMFXXIJTSIPKMD-UHFFFAOYSA-N -1 3 387.432 3.513 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnc(CCC(F)(F)F)s2)c([O-])c1 ZINC001137939992 935881797 /nfs/dbraw/zinc/88/17/97/935881797.db2.gz ZVPYMYNRTVFPJH-UHFFFAOYSA-N -1 3 388.367 3.773 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)c([O-])c1 ZINC001137939745 935881868 /nfs/dbraw/zinc/88/18/68/935881868.db2.gz QCYJILJJQPLJAJ-KRWDZBQOSA-N -1 3 389.354 3.617 20 0 GHADHM COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc(Oc3ccccc3)ccc1[O-])C2 ZINC001138032347 935938361 /nfs/dbraw/zinc/93/83/61/935938361.db2.gz BNFXVSDJLHNHNY-INIZCTEOSA-N -1 3 391.423 3.927 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(OC[C@H]2CCCC23CCOCC3)c1 ZINC001573279556 946642878 /nfs/dbraw/zinc/64/28/78/946642878.db2.gz JKFQZOPNUIPCEX-GFCCVEGCSA-N -1 3 393.285 3.605 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(OC[C@H]2CCCC23CCOCC3)c1 ZINC001573279556 946642885 /nfs/dbraw/zinc/64/28/85/946642885.db2.gz JKFQZOPNUIPCEX-GFCCVEGCSA-N -1 3 393.285 3.605 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)c1ccccc1Cl ZINC001573366396 947739849 /nfs/dbraw/zinc/73/98/49/947739849.db2.gz WFBGQVUFFYNGDQ-SEYXRHQNSA-N -1 3 379.851 3.903 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)c1ccccc1Cl ZINC001573366396 947739861 /nfs/dbraw/zinc/73/98/61/947739861.db2.gz WFBGQVUFFYNGDQ-SEYXRHQNSA-N -1 3 379.851 3.903 20 0 GHADHM FC(F)Oc1ccccc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826370467 948154385 /nfs/dbraw/zinc/15/43/85/948154385.db2.gz URIGAHJTTCOPSC-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826370467 948154390 /nfs/dbraw/zinc/15/43/90/948154390.db2.gz URIGAHJTTCOPSC-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Br)cc1 ZINC001535491703 948543861 /nfs/dbraw/zinc/54/38/61/948543861.db2.gz DRHRTXSNGNCKHG-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Br)cc1 ZINC001535491703 948543868 /nfs/dbraw/zinc/54/38/68/948543868.db2.gz DRHRTXSNGNCKHG-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H]1CC[C@H](c2nc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)CC1 ZINC001540586547 948549906 /nfs/dbraw/zinc/54/99/06/948549906.db2.gz BMJCQCGVLLRESD-JOCQHMNTSA-N -1 3 382.493 3.798 20 0 GHADHM C[C@H]1CC[C@H](c2nc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)CC1 ZINC001540586547 948549910 /nfs/dbraw/zinc/54/99/10/948549910.db2.gz BMJCQCGVLLRESD-JOCQHMNTSA-N -1 3 382.493 3.798 20 0 GHADHM CC(C)[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC001574080602 948796230 /nfs/dbraw/zinc/79/62/30/948796230.db2.gz SPPCLQHXCXOEMS-HXUWFJFHSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC001574080602 948796236 /nfs/dbraw/zinc/79/62/36/948796236.db2.gz SPPCLQHXCXOEMS-HXUWFJFHSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)(C(=O)NCCC1CCC(F)(F)CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573782019 949115754 /nfs/dbraw/zinc/11/57/54/949115754.db2.gz ONUNTGKWKPLWSV-UHFFFAOYSA-N -1 3 395.429 3.615 20 0 GHADHM CC(C)(C(=O)NCCC1CCC(F)(F)CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573782019 949115767 /nfs/dbraw/zinc/11/57/67/949115767.db2.gz ONUNTGKWKPLWSV-UHFFFAOYSA-N -1 3 395.429 3.615 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)CC[C@H]3CCCO3)c2-c2nnn[n-]2)C1 ZINC001574100297 949189925 /nfs/dbraw/zinc/18/99/25/949189925.db2.gz UJZCLBOGLIFCCI-CHWSQXEVSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)CC[C@H]3CCCO3)c2-c2nn[n-]n2)C1 ZINC001574100297 949189936 /nfs/dbraw/zinc/18/99/36/949189936.db2.gz UJZCLBOGLIFCCI-CHWSQXEVSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC001576151579 949229524 /nfs/dbraw/zinc/22/95/24/949229524.db2.gz HGLODNYFAUQKBE-PWSUYJOCSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC001576151579 949229543 /nfs/dbraw/zinc/22/95/43/949229543.db2.gz HGLODNYFAUQKBE-PWSUYJOCSA-N -1 3 380.399 3.558 20 0 GHADHM CC1=C(C)C[C@@](C)(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1 ZINC001575860031 949288446 /nfs/dbraw/zinc/28/84/46/949288446.db2.gz BGPHEELYTQAXOQ-FQEVSTJZSA-N -1 3 385.537 3.743 20 0 GHADHM CC1=C(C)C[C@@](C)(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC001575860031 949288465 /nfs/dbraw/zinc/28/84/65/949288465.db2.gz BGPHEELYTQAXOQ-FQEVSTJZSA-N -1 3 385.537 3.743 20 0 GHADHM CC(C)n1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC001574454797 949291199 /nfs/dbraw/zinc/29/11/99/949291199.db2.gz FNVMCJCTGBCBQS-ZWKOTPCHSA-N -1 3 387.447 3.540 20 0 GHADHM CC(C)n1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC001574454797 949291215 /nfs/dbraw/zinc/29/12/15/949291215.db2.gz FNVMCJCTGBCBQS-ZWKOTPCHSA-N -1 3 387.447 3.540 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(c2ccccc2)CCCC1 ZINC001575265929 949463706 /nfs/dbraw/zinc/46/37/06/949463706.db2.gz VYJMVFCIBKCVLY-NJWFCXLTSA-N -1 3 387.487 3.897 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(c2ccccc2)CCCC1 ZINC001575265929 949463717 /nfs/dbraw/zinc/46/37/17/949463717.db2.gz VYJMVFCIBKCVLY-NJWFCXLTSA-N -1 3 387.487 3.897 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001589659527 949849718 /nfs/dbraw/zinc/84/97/18/949849718.db2.gz QUZXCXKQXJCFHS-INIZCTEOSA-N -1 3 390.871 3.638 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1 ZINC001573842478 950145274 /nfs/dbraw/zinc/14/52/74/950145274.db2.gz DTSTXIREYZCVMK-OAHLLOKOSA-N -1 3 384.871 3.822 20 0 GHADHM CC(C)CC1(CNC(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)CCCC1 ZINC001574168009 950498463 /nfs/dbraw/zinc/49/84/63/950498463.db2.gz MTONQGWRQDMZAO-UHFFFAOYSA-N -1 3 396.417 3.617 20 0 GHADHM CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573873115 950640908 /nfs/dbraw/zinc/64/09/08/950640908.db2.gz GCLPDKYGLLAERG-OAHLLOKOSA-N -1 3 384.484 3.556 20 0 GHADHM CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573873115 950640922 /nfs/dbraw/zinc/64/09/22/950640922.db2.gz GCLPDKYGLLAERG-OAHLLOKOSA-N -1 3 384.484 3.556 20 0 GHADHM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001573876724 950681110 /nfs/dbraw/zinc/68/11/10/950681110.db2.gz TXVLACZHEJSMRV-UHFFFAOYSA-N -1 3 399.882 3.670 20 0 GHADHM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001573876724 950681120 /nfs/dbraw/zinc/68/11/20/950681120.db2.gz TXVLACZHEJSMRV-UHFFFAOYSA-N -1 3 399.882 3.670 20 0 GHADHM CC1(C)C(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1(C)C ZINC001575626063 950705444 /nfs/dbraw/zinc/70/54/44/950705444.db2.gz WOUJXGCEROXGJX-UHFFFAOYSA-N -1 3 375.476 3.946 20 0 GHADHM CC1(C)C(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1(C)C ZINC001575626063 950705464 /nfs/dbraw/zinc/70/54/64/950705464.db2.gz WOUJXGCEROXGJX-UHFFFAOYSA-N -1 3 375.476 3.946 20 0 GHADHM C[C@@H](CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCO1 ZINC001574520061 950711705 /nfs/dbraw/zinc/71/17/05/950711705.db2.gz KWBXELBIJGHATE-LIRRHRJNSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@@H](CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCO1 ZINC001574520061 950711710 /nfs/dbraw/zinc/71/17/10/950711710.db2.gz KWBXELBIJGHATE-LIRRHRJNSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1cccc(F)c1 ZINC001576216931 950746438 /nfs/dbraw/zinc/74/64/38/950746438.db2.gz KEZCHMHXQYUQQH-STQMWFEESA-N -1 3 394.454 3.658 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1cccc(F)c1 ZINC001576216931 950746453 /nfs/dbraw/zinc/74/64/53/950746453.db2.gz KEZCHMHXQYUQQH-STQMWFEESA-N -1 3 394.454 3.658 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCc4sccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576218296 950780839 /nfs/dbraw/zinc/78/08/39/950780839.db2.gz QDOGMKCYPSGIAJ-RISCZKNCSA-N -1 3 394.504 3.507 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCc4sccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576218296 950780847 /nfs/dbraw/zinc/78/08/47/950780847.db2.gz QDOGMKCYPSGIAJ-RISCZKNCSA-N -1 3 394.504 3.507 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)c3cc(-c4nnn[n-]4)ccc3F)ccc2o1 ZINC001573885850 950838160 /nfs/dbraw/zinc/83/81/60/950838160.db2.gz VPBIQBAVLKVVOU-UHFFFAOYSA-N -1 3 380.383 3.697 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)c3cc(-c4nn[n-]n4)ccc3F)ccc2o1 ZINC001573885850 950838178 /nfs/dbraw/zinc/83/81/78/950838178.db2.gz VPBIQBAVLKVVOU-UHFFFAOYSA-N -1 3 380.383 3.697 20 0 GHADHM CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001263631058 960881483 /nfs/dbraw/zinc/88/14/83/960881483.db2.gz GTRMRXVDXLKJJS-LJQANCHMSA-N -1 3 383.448 3.631 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588815812 961576119 /nfs/dbraw/zinc/57/61/19/961576119.db2.gz YZDKSUWALLLOQF-HXUWFJFHSA-N -1 3 383.492 3.592 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)CC1 ZINC001588841620 961808501 /nfs/dbraw/zinc/80/85/01/961808501.db2.gz NMHVHJAACHHQHV-UHFFFAOYSA-N -1 3 387.524 3.678 20 0 GHADHM O=C([O-])c1cccc(CN2CCC(c3ccc(Br)cc3)CC2)n1 ZINC001334806871 961837341 /nfs/dbraw/zinc/83/73/41/961837341.db2.gz UNDSWLRREPYRAZ-UHFFFAOYSA-N -1 3 375.266 3.922 20 0 GHADHM Cc1oc(C(C)(C)C)cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347533599 962390011 /nfs/dbraw/zinc/39/00/11/962390011.db2.gz BISURLWALIJUQB-HSZRJFAPSA-N -1 3 398.503 3.735 20 0 GHADHM O=C([O-])CC[C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001356625918 962744815 /nfs/dbraw/zinc/74/48/15/962744815.db2.gz BDCWZZJNMWWKDD-UYAOXDASSA-N -1 3 387.524 3.500 20 0 GHADHM O=C([O-])[C@]1(NC(=O)c2cccc(C3CCC3)c2)CCCN(Cc2ccccc2)C1 ZINC001520161024 962819398 /nfs/dbraw/zinc/81/93/98/962819398.db2.gz POOKJCIZHDCQOH-DEOSSOPVSA-N -1 3 392.499 3.803 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001526688285 962875611 /nfs/dbraw/zinc/87/56/11/962875611.db2.gz VHCIGOMFXYVLQE-YADARESESA-N -1 3 394.515 3.724 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCOc2ccccc2C(=O)[O-])C1 ZINC001573447029 964079919 /nfs/dbraw/zinc/07/99/19/964079919.db2.gz GPZPGBMMIIXDJN-MRXNPFEDSA-N -1 3 392.496 3.533 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1cccs1 ZINC001154381703 1032073497 /nfs/dbraw/zinc/07/34/97/1032073497.db2.gz WIRWTOXFUFWFDF-VIFPVBQESA-N -1 3 377.263 3.843 20 0 GHADHM O=C(C=Cc1ccsc1C(F)(F)F)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625915873 1014372646 /nfs/dbraw/zinc/37/26/46/1014372646.db2.gz HICMJZCTDTZARK-PLNGDYQASA-N -1 3 379.367 3.523 20 0 GHADHM O=C(C=Cc1ccsc1C(F)(F)F)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625915873 1014372658 /nfs/dbraw/zinc/37/26/58/1014372658.db2.gz HICMJZCTDTZARK-PLNGDYQASA-N -1 3 379.367 3.523 20 0 GHADHM C[C@@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001593025781 980284040 /nfs/dbraw/zinc/28/40/40/980284040.db2.gz JQAAPCYCHCKIDI-OXQOHEQNSA-N -1 3 382.504 3.840 20 0 GHADHM CCCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001595845924 982768756 /nfs/dbraw/zinc/76/87/56/982768756.db2.gz BOWAIOWBMHDEPF-KBRIMQKVSA-N -1 3 394.537 3.527 20 0 GHADHM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596157829 983519336 /nfs/dbraw/zinc/51/93/36/983519336.db2.gz GIUQSYCNIGAHNY-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Nc3cc(C)cc(C(=O)[O-])c3)c(C)c2)CC1 ZINC001596442590 984138407 /nfs/dbraw/zinc/13/84/07/984138407.db2.gz YENLOSYKFDXBCK-UHFFFAOYSA-N -1 3 396.491 3.788 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001596594426 984541818 /nfs/dbraw/zinc/54/18/18/984541818.db2.gz PMXJZNLQCYIEDH-OAQYLSRUSA-N -1 3 396.487 3.729 20 0 GHADHM CCOC(=O)N1CCC(C)(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)CC1 ZINC001596644817 984655079 /nfs/dbraw/zinc/65/50/79/984655079.db2.gz VORLDLLKJBZNJD-CQSZACIVSA-N -1 3 395.525 3.545 20 0 GHADHM CCO[C@H]1C[C@](NCc2nc3ccccc3c(C)c2Cl)(C(=O)[O-])C1(C)C ZINC001596839068 985515081 /nfs/dbraw/zinc/51/50/81/985515081.db2.gz YAOFHQVSJSTHRK-JXFKEZNVSA-N -1 3 376.884 3.945 20 0 GHADHM CC(=O)Nc1cccc(OCCN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC001589215699 985709556 /nfs/dbraw/zinc/70/95/56/985709556.db2.gz IBDJFHYJDUTAPM-KRWDZBQOSA-N -1 3 397.258 3.746 20 0 GHADHM C[C@@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594537633 986160859 /nfs/dbraw/zinc/16/08/59/986160859.db2.gz WVPIRFWDWLMNGZ-HIFRSBDPSA-N -1 3 391.512 3.573 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589358773 986350760 /nfs/dbraw/zinc/35/07/60/986350760.db2.gz GAMVPDFNJXMWCT-JCHJZTRSSA-N -1 3 398.528 3.600 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)ccc1OC ZINC001597035348 986471196 /nfs/dbraw/zinc/47/11/96/986471196.db2.gz HQJQPLLGTHNOEE-SFHVURJKSA-N -1 3 379.840 3.671 20 0 GHADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589439554 986775305 /nfs/dbraw/zinc/77/53/05/986775305.db2.gz IDWGBSFXULOSJK-BXKMTCNYSA-N -1 3 388.467 3.895 20 0 GHADHM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCc1ccc(-c3ccc(C(=O)[O-])cc3)o1)O2 ZINC001594639682 986780099 /nfs/dbraw/zinc/78/00/99/986780099.db2.gz IWRBXKBQYMDYPT-SXGZUBKSSA-N -1 3 385.460 3.707 20 0 GHADHM COc1ccc2cc(-c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)ccc2c1 ZINC000544960053 1015286682 /nfs/dbraw/zinc/28/66/82/1015286682.db2.gz IGPUSPAJIPZIJJ-UHFFFAOYSA-N -1 3 395.440 3.937 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001597258801 987273227 /nfs/dbraw/zinc/27/32/27/987273227.db2.gz VMCMEKBFBCSZMH-UKRRQHHQSA-N -1 3 388.327 3.920 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001589612228 987472065 /nfs/dbraw/zinc/47/20/65/987472065.db2.gz TVFDDRWRYWSAKP-XJKSGUPXSA-N -1 3 398.425 3.634 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001597457682 987876500 /nfs/dbraw/zinc/87/65/00/987876500.db2.gz NSJDLAIKRXQHPX-QGZVFWFLSA-N -1 3 387.505 3.967 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CN(C/C=C\c2ccc(F)cc2)CC12CC(C(=O)[O-])C2 ZINC001589865815 988462286 /nfs/dbraw/zinc/46/22/86/988462286.db2.gz HIDXQOJSXDSZNG-AHHSPCRNSA-N -1 3 389.467 3.593 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001597762637 989197342 /nfs/dbraw/zinc/19/73/42/989197342.db2.gz IFGBWBUWGMOHKM-UONOGXRCSA-N -1 3 380.485 3.665 20 0 GHADHM CCc1oc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)cc1C(=O)[O-] ZINC001597796961 989357991 /nfs/dbraw/zinc/35/79/91/989357991.db2.gz TVPVIZFFQDHXDX-CZUORRHYSA-N -1 3 380.485 3.665 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC001590176245 989504000 /nfs/dbraw/zinc/50/40/00/989504000.db2.gz DWMHQPFWPAFNOV-UHFFFAOYSA-N -1 3 382.888 3.775 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC001590229177 989600386 /nfs/dbraw/zinc/60/03/86/989600386.db2.gz GAQIAEQUCFTJEJ-INIZCTEOSA-N -1 3 376.478 3.688 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CN[C@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001590315277 989744632 /nfs/dbraw/zinc/74/46/32/989744632.db2.gz OBKDMFPXTSIGGR-OAQYLSRUSA-N -1 3 385.464 3.908 20 0 GHADHM CC(C)(NCc1ccc(/C=C/C(=O)[O-])o1)[C@H](O)c1ccc(Br)cc1 ZINC001590871386 990777861 /nfs/dbraw/zinc/77/78/61/990777861.db2.gz QFDLIXSUVFCHNW-OAGJVSPASA-N -1 3 394.265 3.742 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001598203055 990827661 /nfs/dbraw/zinc/82/76/61/990827661.db2.gz PDBSIORHPGXOQA-SFHVURJKSA-N -1 3 387.455 3.612 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001590981326 991141087 /nfs/dbraw/zinc/14/10/87/991141087.db2.gz UGBYHOJXWPXALN-NRFANRHFSA-N -1 3 382.504 3.590 20 0 GHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CC(=O)N2C ZINC001593194687 994139343 /nfs/dbraw/zinc/13/93/43/994139343.db2.gz LOEPDTLDWWIINC-ADLMAVQZSA-N -1 3 392.377 3.701 20 0 GHADHM C[C@@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593246451 994451708 /nfs/dbraw/zinc/45/17/08/994451708.db2.gz LKHNCGLEYJZHHL-WBMJQRKESA-N -1 3 383.366 3.553 20 0 GHADHM C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593257527 994529620 /nfs/dbraw/zinc/52/96/20/994529620.db2.gz PJZVMEVORHICHU-QWHCGFSZSA-N -1 3 383.514 3.529 20 0 GHADHM C[C@H](NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(Br)cn1 ZINC001593272109 994609639 /nfs/dbraw/zinc/60/96/39/994609639.db2.gz PEDGINPEGXUUBG-PRUHKGEBSA-N -1 3 391.265 3.672 20 0 GHADHM COc1cccc([C@@H](N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC001599659442 994633742 /nfs/dbraw/zinc/63/37/42/994633742.db2.gz YBFXIWTYGKWYOE-YCRPNKLZSA-N -1 3 382.460 3.689 20 0 GHADHM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001593288243 994653507 /nfs/dbraw/zinc/65/35/07/994653507.db2.gz FXHSTHWIQJYNAT-AWEZNQCLSA-N -1 3 395.434 3.966 20 0 GHADHM C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1cc(C(=O)[O-])cs1 ZINC001593288518 994657579 /nfs/dbraw/zinc/65/75/79/994657579.db2.gz LBCYQASCMBGOPG-VIFPVBQESA-N -1 3 398.278 3.831 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001593292437 994677579 /nfs/dbraw/zinc/67/75/79/994677579.db2.gz LUNRKSNUOCQFFS-SECBINFHSA-N -1 3 391.221 3.845 20 0 GHADHM C[C@@H](c1ccc(Br)cc1)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593686868 996124821 /nfs/dbraw/zinc/12/48/21/996124821.db2.gz TXBBKAVZEXCGDO-UGSOOPFHSA-N -1 3 382.298 3.592 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593698417 996164157 /nfs/dbraw/zinc/16/41/57/996164157.db2.gz JOQODAHDTVPCLY-CZUORRHYSA-N -1 3 394.899 3.655 20 0 GHADHM COC(=O)c1cc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]c1C ZINC001598932670 997796984 /nfs/dbraw/zinc/79/69/84/997796984.db2.gz SAQRCSCLBGNFNW-KRWDZBQOSA-N -1 3 385.247 3.506 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC001154495523 1032142460 /nfs/dbraw/zinc/14/24/60/1032142460.db2.gz FASJPTLNRWDYNF-UKRRQHHQSA-N -1 3 395.459 3.691 20 0 GHADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCCc2ccncc2)c1 ZINC001599474657 998507779 /nfs/dbraw/zinc/50/77/79/998507779.db2.gz BUAQJWRSRNHXQI-QGZVFWFLSA-N -1 3 393.281 3.543 20 0 GHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(O[C@H]2CCOC2)c1 ZINC000468958870 1016273691 /nfs/dbraw/zinc/27/36/91/1016273691.db2.gz LUOLGRHXHXZUNE-SFHVURJKSA-N -1 3 387.451 3.647 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001594275193 999064237 /nfs/dbraw/zinc/06/42/37/999064237.db2.gz OXDUVPBNVHBCKP-MZMPZRCHSA-N -1 3 378.900 3.530 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COC(C)(C)C(F)(F)F)c2)n1 ZINC000468962425 1016279962 /nfs/dbraw/zinc/27/99/62/1016279962.db2.gz LKXYFUFPTOEFSI-UHFFFAOYSA-N -1 3 383.370 3.708 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2cccc(Cl)c2F)c1 ZINC000470602744 1016830726 /nfs/dbraw/zinc/83/07/26/1016830726.db2.gz UFRPQHPAILOYLD-UHFFFAOYSA-N -1 3 378.831 3.851 20 0 GHADHM CCCCOCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001309108064 1050362108 /nfs/dbraw/zinc/36/21/08/1050362108.db2.gz UBZYQVHXSKWXGY-UHFFFAOYSA-N -1 3 384.723 3.506 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Oc1ccccc1C ZINC000557786163 1017044389 /nfs/dbraw/zinc/04/43/89/1017044389.db2.gz VUSAAKUYJVEYJW-ZDUSSCGKSA-N -1 3 388.411 3.545 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N[C@H](c3ccccc3)c3ccncc3)c2c1 ZINC001154514945 1032155070 /nfs/dbraw/zinc/15/50/70/1032155070.db2.gz LHILIXSPFJCSPL-JOCHJYFZSA-N -1 3 385.423 3.863 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)c1 ZINC001154761288 1032276662 /nfs/dbraw/zinc/27/66/62/1032276662.db2.gz KASGKIVVUJWISO-CYBMUJFWSA-N -1 3 390.281 3.527 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C ZINC001221229967 1032342460 /nfs/dbraw/zinc/34/24/60/1032342460.db2.gz DLLOKGCZIKVYEP-SFHVURJKSA-N -1 3 394.471 3.865 20 0 GHADHM C[C@H](COc1ccc(F)cc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001221285437 1032359646 /nfs/dbraw/zinc/35/96/46/1032359646.db2.gz VQMIVSHCVOFVMM-LLVKDONJSA-N -1 3 397.244 3.561 20 0 GHADHM C[C@@H](COc1ccc(F)cc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001221285440 1032360639 /nfs/dbraw/zinc/36/06/39/1032360639.db2.gz VQMIVSHCVOFVMM-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001155147607 1032435736 /nfs/dbraw/zinc/43/57/36/1032435736.db2.gz CWBLGZLSFHJAOS-SFHVURJKSA-N -1 3 382.508 3.577 20 0 GHADHM Cc1c(Br)ccc(N)c1NC(=O)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178864 1032446295 /nfs/dbraw/zinc/44/62/95/1032446295.db2.gz PPYPISLXYPJGAR-UHFFFAOYSA-N -1 3 380.633 3.517 20 0 GHADHM Cc1c(Br)ccc(N)c1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178864 1032446301 /nfs/dbraw/zinc/44/63/01/1032446301.db2.gz PPYPISLXYPJGAR-UHFFFAOYSA-N -1 3 380.633 3.517 20 0 GHADHM Cc1c(Br)ccc(N)c1NC(=O)c1nc2ccc(Cl)nc2[n-]1 ZINC001155178864 1032446304 /nfs/dbraw/zinc/44/63/04/1032446304.db2.gz PPYPISLXYPJGAR-UHFFFAOYSA-N -1 3 380.633 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227583525 1032472947 /nfs/dbraw/zinc/47/29/47/1032472947.db2.gz MWPHZMFFMGYUCA-SNVBAGLBSA-N -1 3 376.222 3.682 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1nnc(-c3ccc(Cl)c(Cl)c3)o1)C2 ZINC000931319245 1017957548 /nfs/dbraw/zinc/95/75/48/1017957548.db2.gz XIJZRQZEFYOESI-MRVPVSSYSA-N -1 3 392.246 3.924 20 0 GHADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000932682475 1018580718 /nfs/dbraw/zinc/58/07/18/1018580718.db2.gz DUMVBXJVINGUIZ-NRFANRHFSA-N -1 3 387.480 3.776 20 0 GHADHM Cc1csc(C[C@@H]2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)n1 ZINC000933133165 1018855821 /nfs/dbraw/zinc/85/58/21/1018855821.db2.gz HRYKSKHWSMVTBE-ZDUSSCGKSA-N -1 3 380.473 3.911 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001228133626 1032800161 /nfs/dbraw/zinc/80/01/61/1032800161.db2.gz IZCFZGFXWCCGGZ-OAHLLOKOSA-N -1 3 393.480 3.562 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001228155157 1032811716 /nfs/dbraw/zinc/81/17/16/1032811716.db2.gz QJZXNQJEKFAZHG-MXVIHJGJSA-N -1 3 381.472 3.645 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000571051747 1019664298 /nfs/dbraw/zinc/66/42/98/1019664298.db2.gz KEJSKVGQAZHBQZ-SJLPKXTDSA-N -1 3 386.879 3.618 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(CC2CC2)nc1C ZINC000190840821 1020732415 /nfs/dbraw/zinc/73/24/15/1020732415.db2.gz MYPOAJRMNVKQBD-CQSZACIVSA-N -1 3 383.473 3.764 20 0 GHADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1n[nH]c2c1CCCCC2 ZINC000190841932 1020733294 /nfs/dbraw/zinc/73/32/94/1020733294.db2.gz OUHYPGKRZVUCPP-LBPRGKRZSA-N -1 3 391.258 3.947 20 0 GHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cscc1Br ZINC000634657308 1020954084 /nfs/dbraw/zinc/95/40/84/1020954084.db2.gz DQEZHYQEQCANGR-UHFFFAOYSA-N -1 3 389.340 3.681 20 0 GHADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1C(=O)N1CCCCC1 ZINC000834659456 1021351065 /nfs/dbraw/zinc/35/10/65/1021351065.db2.gz FRPBPWKGRMWKJX-UHFFFAOYSA-N -1 3 380.370 3.615 20 0 GHADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1C(=O)N1CCCCC1 ZINC000834659456 1021351085 /nfs/dbraw/zinc/35/10/85/1021351085.db2.gz FRPBPWKGRMWKJX-UHFFFAOYSA-N -1 3 380.370 3.615 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(C(=O)C4CCCC4)C3)o2)cc1 ZINC000902344910 1021502900 /nfs/dbraw/zinc/50/29/00/1021502900.db2.gz LVUWYCSZYARVOA-GOSISDBHSA-N -1 3 382.460 3.526 20 0 GHADHM C[C@H]1CC[C@@](CNCc2ncc(Br)cc2Cl)(CC(=O)[O-])C1 ZINC000903993299 1021667092 /nfs/dbraw/zinc/66/70/92/1021667092.db2.gz PNBBGMREKFEHTM-BONVTDFDSA-N -1 3 375.694 3.868 20 0 GHADHM Cc1[nH]c(CN(C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001140496350 1021866902 /nfs/dbraw/zinc/86/69/02/1021866902.db2.gz BSZJMPCRSFOJCI-ZBFHGGJFSA-N -1 3 379.501 3.597 20 0 GHADHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621992 1033013066 /nfs/dbraw/zinc/01/30/66/1033013066.db2.gz GAIZWFXPFGIEJW-GOSISDBHSA-N -1 3 382.412 3.750 20 0 GHADHM Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC001140528969 1021925223 /nfs/dbraw/zinc/92/52/23/1021925223.db2.gz WPTDBNMVQFPIAL-LBPRGKRZSA-N -1 3 381.457 3.511 20 0 GHADHM [O-]c1cccc(CN2CCN(c3nccc4occc43)CC2)c1Br ZINC001140550031 1021951791 /nfs/dbraw/zinc/95/17/91/1021951791.db2.gz BYXLTVRYFUUYLL-UHFFFAOYSA-N -1 3 388.265 3.618 20 0 GHADHM COCC[C@H]1CO[C@]2(C1)CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140551236 1021952993 /nfs/dbraw/zinc/95/29/93/1021952993.db2.gz QZFMNGDVDHTJAV-KDOFPFPSSA-N -1 3 384.314 3.562 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1Br ZINC001140550553 1021953014 /nfs/dbraw/zinc/95/30/14/1021953014.db2.gz WAUXXFNYEQTMKE-QFBILLFUSA-N -1 3 396.325 3.705 20 0 GHADHM CCN(Cc1cccc([O-])c1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140552225 1021954936 /nfs/dbraw/zinc/95/49/36/1021954936.db2.gz BPDVCAWLKFBFGV-CQSZACIVSA-N -1 3 399.329 3.986 20 0 GHADHM Cc1cccc(O[C@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC001140555628 1021959927 /nfs/dbraw/zinc/95/99/27/1021959927.db2.gz PWKFDSUNXVUMTN-HNNXBMFYSA-N -1 3 377.282 3.902 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001228628958 1033019977 /nfs/dbraw/zinc/01/99/77/1033019977.db2.gz LOQPKQQWCCVIAV-MLGOLLRUSA-N -1 3 389.448 3.831 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228631567 1033020846 /nfs/dbraw/zinc/02/08/46/1033020846.db2.gz ZNYGOLUKEFDUDO-UHFFFAOYSA-N -1 3 375.421 3.585 20 0 GHADHM O=c1nc(CN2CCC[C@@H](OC(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000679681047 1022031519 /nfs/dbraw/zinc/03/15/19/1022031519.db2.gz MEALFYGSCFUWSA-SNVBAGLBSA-N -1 3 381.404 3.861 20 0 GHADHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000680224771 1022117906 /nfs/dbraw/zinc/11/79/06/1022117906.db2.gz JOVQHYKOQWZFRG-UHFFFAOYSA-N -1 3 396.516 3.726 20 0 GHADHM O=C(NCc1nc(Cc2ccccc2)no1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000725891848 1022391798 /nfs/dbraw/zinc/39/17/98/1022391798.db2.gz DSJKLACXFWQCMY-UHFFFAOYSA-N -1 3 399.450 3.887 20 0 GHADHM COc1cc(C(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc(OC)c1[O-] ZINC000754277411 1022578397 /nfs/dbraw/zinc/57/83/97/1022578397.db2.gz TZGMQCWNXNJFLP-UHFFFAOYSA-N -1 3 398.415 3.940 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nccn2-c2ccc(Br)cc2)n1 ZINC000754451781 1022714165 /nfs/dbraw/zinc/71/41/65/1022714165.db2.gz RGAWCQIELBZKCF-UHFFFAOYSA-N -1 3 377.267 3.731 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ncc(Cc2ccccc2Cl)s1 ZINC000836230486 1022750827 /nfs/dbraw/zinc/75/08/27/1022750827.db2.gz TWPIGURZGAKHCV-UHFFFAOYSA-N -1 3 397.884 3.782 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CCc2ccccc2)C2CC2)c(Cl)c1 ZINC001156512111 1033077432 /nfs/dbraw/zinc/07/74/32/1033077432.db2.gz PQGFCAUYQUHRHZ-UHFFFAOYSA-N -1 3 392.908 3.559 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000836447633 1022979735 /nfs/dbraw/zinc/97/97/35/1022979735.db2.gz GLFAGAZUQDDYDZ-UHFFFAOYSA-N -1 3 391.468 3.600 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000836447633 1022979743 /nfs/dbraw/zinc/97/97/43/1022979743.db2.gz GLFAGAZUQDDYDZ-UHFFFAOYSA-N -1 3 391.468 3.600 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCO[C@H](CCc4ccccc4)C3)cc(=O)oc12 ZINC000755264296 1023161416 /nfs/dbraw/zinc/16/14/16/1023161416.db2.gz WSGVPKXIGMUMNU-LJQANCHMSA-N -1 3 379.456 3.641 20 0 GHADHM Cc1nc(NC([O-])=NO[C@@H](CO)C(C)C)sc1Cc1cccc(Cl)c1 ZINC000836754871 1023341607 /nfs/dbraw/zinc/34/16/07/1023341607.db2.gz VDOXUMVNIJCPQR-AWEZNQCLSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C(C)C)sc1Cc1cccc(Cl)c1 ZINC000836754871 1023341620 /nfs/dbraw/zinc/34/16/20/1023341620.db2.gz VDOXUMVNIJCPQR-AWEZNQCLSA-N -1 3 383.901 3.766 20 0 GHADHM O=C(Nc1ccon1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000755770807 1023370791 /nfs/dbraw/zinc/37/07/91/1023370791.db2.gz XCOSYEFTSAGYBE-UHFFFAOYSA-N -1 3 395.799 3.520 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C1CCC1 ZINC000755977453 1023460859 /nfs/dbraw/zinc/46/08/59/1023460859.db2.gz JZNDBVAPQXIIOE-QMMMGPOBSA-N -1 3 382.707 3.578 20 0 GHADHM O=C1CCc2cc([O-])c(OC[C@@H]3Cc4cccc(Br)c4O3)cc21 ZINC001228854265 1033137654 /nfs/dbraw/zinc/13/76/54/1033137654.db2.gz PUXSLUPAYHJNBQ-LBPRGKRZSA-N -1 3 375.218 3.666 20 0 GHADHM COc1c(C)cc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1C ZINC000756349887 1023600590 /nfs/dbraw/zinc/60/05/90/1023600590.db2.gz NRUCQDMCZXIJON-MRXNPFEDSA-N -1 3 378.266 3.990 20 0 GHADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC000756352050 1023601166 /nfs/dbraw/zinc/60/11/66/1023601166.db2.gz VNIZOGWOKGPZOV-KRWDZBQOSA-N -1 3 383.366 3.646 20 0 GHADHM COc1ccc([C@H](C)[N-]C(=O)C(F)(F)c2nccs2)cc1Br ZINC000756414499 1023635552 /nfs/dbraw/zinc/63/55/52/1023635552.db2.gz RYNKDKPRJOJJBN-QMMMGPOBSA-N -1 3 391.237 3.883 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2ccc(I)cc2[O-])n1 ZINC001138176764 1024306682 /nfs/dbraw/zinc/30/66/82/1024306682.db2.gz SNGLAOJQZACASJ-UHFFFAOYSA-N -1 3 399.232 3.807 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)Oc1ccc(Cl)cc1 ZINC001138203843 1024357806 /nfs/dbraw/zinc/35/78/06/1024357806.db2.gz KYKHTOYBHREYNK-JTQLQIEISA-N -1 3 392.789 3.657 20 0 GHADHM Cc1nc(COc2ccccc2C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000837399674 1024423358 /nfs/dbraw/zinc/42/33/58/1024423358.db2.gz HWZHZWPKBLJPPR-UHFFFAOYSA-N -1 3 397.456 3.761 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301877 1024464257 /nfs/dbraw/zinc/46/42/57/1024464257.db2.gz FKJXEPPXJAYSRU-JTQLQIEISA-N -1 3 379.338 3.984 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000837538349 1024533691 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Cc1ncc(Nc2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)c(=O)[n-]1 ZINC001162301549 1025707125 /nfs/dbraw/zinc/70/71/25/1025707125.db2.gz BLPZRJYWFXRXTP-QGZVFWFLSA-N -1 3 398.850 3.647 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)C[C@H]1C ZINC001461026563 1069345359 /nfs/dbraw/zinc/34/53/59/1069345359.db2.gz MWAXCAVFHGHNHQ-LUYZLQTOSA-N -1 3 382.426 3.695 20 0 GHADHM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001139043140 1025826235 /nfs/dbraw/zinc/82/62/35/1025826235.db2.gz ZPKYQRQDUKKLRJ-OAQYLSRUSA-N -1 3 386.373 3.826 20 0 GHADHM C[C@H]1Cc2cc(Br)ccc2CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139096913 1025909093 /nfs/dbraw/zinc/90/90/93/1025909093.db2.gz QDFYKLJZRRLSTA-LBPRGKRZSA-N -1 3 384.281 3.576 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885436 1025954016 /nfs/dbraw/zinc/95/40/16/1025954016.db2.gz PXLGODCXZWJZAM-ZDUSSCGKSA-N -1 3 379.844 3.815 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885436 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ZINC001142122306 1028189311 /nfs/dbraw/zinc/18/93/11/1028189311.db2.gz VTCHYAFZLWJQPA-ROUUACIJSA-N -1 3 396.270 3.814 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@H]1c1ccco1 ZINC001142123448 1028192996 /nfs/dbraw/zinc/19/29/96/1028192996.db2.gz ULXWFQFLFYORII-HSALFYBXSA-N -1 3 390.439 3.519 20 0 GHADHM CCOc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(Br)cc1OC ZINC001213500209 1028229043 /nfs/dbraw/zinc/22/90/43/1028229043.db2.gz BWYXCWSHPMGFRK-UHFFFAOYSA-N -1 3 399.632 3.950 20 0 GHADHM O=S(=O)([N-]CCc1cnc2ccccc2c1)c1cnc(-c2ccccc2)s1 ZINC001213648315 1028309458 /nfs/dbraw/zinc/30/94/58/1028309458.db2.gz QNOWFWCCULYJFT-UHFFFAOYSA-N -1 3 395.509 3.879 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(F)c1 ZINC000841329569 1028435873 /nfs/dbraw/zinc/43/58/73/1028435873.db2.gz JIGZZCHLJDRSNY-UHFFFAOYSA-N -1 3 396.459 3.627 20 0 GHADHM COc1ccc(-c2noc(-c3ccc([O-])c(=O)[nH]3)n2)cc1OCc1ccccc1 ZINC001214536104 1028781386 /nfs/dbraw/zinc/78/13/86/1028781386.db2.gz VIHMMWRGCURYJP-UHFFFAOYSA-N -1 3 391.383 3.797 20 0 GHADHM COc1ccc(Br)c(Nc2c(Cl)ccc([O-])c2F)c1C(N)=O ZINC001214563415 1028794823 /nfs/dbraw/zinc/79/48/23/1028794823.db2.gz FHNHVJSPUDTNLA-UHFFFAOYSA-N -1 3 389.608 3.798 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)c1cccnc1 ZINC001142414478 1028847425 /nfs/dbraw/zinc/84/74/25/1028847425.db2.gz WHFPJWJCQSSSME-CYBMUJFWSA-N -1 3 399.447 3.759 20 0 GHADHM COCOc1ccc(C(F)(F)F)cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001214818889 1028923498 /nfs/dbraw/zinc/92/34/98/1028923498.db2.gz SRAIHUHMIZQWGQ-UHFFFAOYSA-N -1 3 384.354 3.839 20 0 GHADHM CC(C)=CCSC[C@H](NCc1c(Cl)n(C)nc1-c1ccccc1)C(=O)[O-] ZINC000841809039 1028957992 /nfs/dbraw/zinc/95/79/92/1028957992.db2.gz RPUNORCPWVEGCZ-INIZCTEOSA-N -1 3 393.940 3.983 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNC[C@H](CC(=O)[O-])C(F)F ZINC000841812866 1028961953 /nfs/dbraw/zinc/96/19/53/1028961953.db2.gz ZUDSTYPKQJNRDT-ZDUSSCGKSA-N -1 3 385.842 3.897 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2cc(F)cc(I)c2)no1 ZINC001215141825 1029055954 /nfs/dbraw/zinc/05/59/54/1029055954.db2.gz ARPGLAPZRMHBEU-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc([C@H]4CCc5cncn54)c(F)c3)no2)c1 ZINC001215155364 1029066003 /nfs/dbraw/zinc/06/60/03/1029066003.db2.gz KUCNUNKSVXHHSB-GOSISDBHSA-N -1 3 392.390 3.989 20 0 GHADHM O=C(CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])N1CCCCCC1 ZINC001142582359 1029094791 /nfs/dbraw/zinc/09/47/91/1029094791.db2.gz JNEHHERTFFBLSK-UHFFFAOYSA-N -1 3 394.515 3.700 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cccc(I)c2F)no1 ZINC001215302012 1029139068 /nfs/dbraw/zinc/13/90/68/1029139068.db2.gz OCIMYAHPKRIZMJ-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM [O-]c1ccc(Cl)c(-c2nc(-c3ccc(I)nc3)no2)c1 ZINC001215348184 1029165848 /nfs/dbraw/zinc/16/58/48/1029165848.db2.gz SRPTUNWPLSUJBX-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM COc1cc2c(cc1-c1noc(-c3ccc([O-])c(C(C)=O)c3)n1)CCCC2=O ZINC001215365842 1029176009 /nfs/dbraw/zinc/17/60/09/1029176009.db2.gz YKTLSKHVXMQOLP-UHFFFAOYSA-N -1 3 378.384 3.839 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3C(=O)[O-])CC[C@@H]2C1 ZINC001142646879 1029202945 /nfs/dbraw/zinc/20/29/45/1029202945.db2.gz HJDUTDVHRYFWSS-UKRRQHHQSA-N -1 3 394.899 3.727 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC001142710584 1029310643 /nfs/dbraw/zinc/31/06/43/1029310643.db2.gz KTLDMDOJCXZSBU-FQEVSTJZSA-N -1 3 385.826 3.625 20 0 GHADHM O=C(c1c(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F)N1CCCC1 ZINC001215672245 1029338396 /nfs/dbraw/zinc/33/83/96/1029338396.db2.gz SNRALAWHKUCQQP-UHFFFAOYSA-N -1 3 384.386 3.836 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3csc(-c4ccccc4Cl)n3)c2c(=O)n1C ZINC001142821504 1029531824 /nfs/dbraw/zinc/53/18/24/1029531824.db2.gz KPAQNWAMASYBPW-UHFFFAOYSA-N -1 3 399.863 3.599 20 0 GHADHM CCOC(=O)C1CCC(CC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000842724274 1029534945 /nfs/dbraw/zinc/53/49/45/1029534945.db2.gz VBKKLWOXOLFJFR-UHFFFAOYSA-N -1 3 398.459 3.823 20 0 GHADHM CCOC(=O)c1nc(Br)cnc1[N-]c1c(Cl)ccnc1Cl ZINC001216300821 1029599195 /nfs/dbraw/zinc/59/91/95/1029599195.db2.gz AMJHOPDSFCUBOI-UHFFFAOYSA-N -1 3 392.040 3.861 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000842937647 1029699353 /nfs/dbraw/zinc/69/93/53/1029699353.db2.gz UXCVRBYPKDMLHG-DQLDELGASA-N -1 3 380.488 3.939 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843026314 1029767110 /nfs/dbraw/zinc/76/71/10/1029767110.db2.gz LUOKRXCTWLPGLR-LBPRGKRZSA-N -1 3 377.445 3.576 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(F)cc2I)no1 ZINC001216735390 1029911828 /nfs/dbraw/zinc/91/18/28/1029911828.db2.gz ICTWNSTWIQIUIR-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM [O-]c1ccc(Br)c(-c2nc(-c3cccnc3OC(F)F)no2)c1 ZINC001216848331 1029961818 /nfs/dbraw/zinc/96/18/18/1029961818.db2.gz LNBSGPTUFUSDTE-UHFFFAOYSA-N -1 3 384.136 3.868 20 0 GHADHM Cc1c([O-])cc(-c2nc(-c3ccn4c(Br)cnc4c3)no2)cc1F ZINC001216895018 1029984837 /nfs/dbraw/zinc/98/48/37/1029984837.db2.gz CAVZFWBYGHZKJH-UHFFFAOYSA-N -1 3 389.184 3.967 20 0 GHADHM COc1cc(/C=C/C(=O)Nc2ncccc2[O-])ccc1OCc1c(C)noc1C ZINC000843419795 1029994299 /nfs/dbraw/zinc/99/42/99/1029994299.db2.gz UEGGGTNQMXFWDB-VQHVLOKHSA-N -1 3 395.415 3.632 20 0 GHADHM CCOc1cccc(-c2nc(-c3cc(C)c(Br)cn3)no2)c1[O-] ZINC001216956057 1030030269 /nfs/dbraw/zinc/03/02/69/1030030269.db2.gz IUCRRUSIYBNGRY-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM COc1ccc(C(F)(F)F)cc1-c1noc(-c2cccc(OCCO)c2[O-])n1 ZINC001216959050 1030030930 /nfs/dbraw/zinc/03/09/30/1030030930.db2.gz OMRNNZFFBGDCGQ-UHFFFAOYSA-N -1 3 396.321 3.508 20 0 GHADHM COc1cc(Cl)cc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)c1 ZINC001216961232 1030034078 /nfs/dbraw/zinc/03/40/78/1030034078.db2.gz FAUCCKNQKZHASS-UHFFFAOYSA-N -1 3 385.807 3.650 20 0 GHADHM COc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)ccc1Cl ZINC001217018563 1030095006 /nfs/dbraw/zinc/09/50/06/1030095006.db2.gz SBAGBERINUCZRA-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc1Cl ZINC001217018231 1030095464 /nfs/dbraw/zinc/09/54/64/1030095464.db2.gz MRSRVIKHVVMRAO-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM Cc1cc(-c2noc(-c3cc([O-])cc(I)c3)n2)cnc1C ZINC001217065696 1030138701 /nfs/dbraw/zinc/13/87/01/1030138701.db2.gz JRLVOBJYVATFDM-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2cccc(Br)c2OC)no1 ZINC001217084625 1030150703 /nfs/dbraw/zinc/15/07/03/1030150703.db2.gz ONPXNQGTDGLGMQ-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM O=S(=O)(c1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1)C(F)(F)F ZINC001217136868 1030188474 /nfs/dbraw/zinc/18/84/74/1030188474.db2.gz JWQSLZAFMRZZEF-UHFFFAOYSA-N -1 3 394.334 3.573 20 0 GHADHM COc1cc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc(C(F)(F)F)c1 ZINC001217354714 1030330767 /nfs/dbraw/zinc/33/07/67/1030330767.db2.gz JIMIJFYXGITHTB-UHFFFAOYSA-N -1 3 389.289 3.566 20 0 GHADHM COc1cc(Br)cnc1-c1noc(-c2c([O-])cnc3ccccc32)n1 ZINC001217440938 1030394663 /nfs/dbraw/zinc/39/46/63/1030394663.db2.gz DPHCQIJAQXHNIC-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4cnccc4C)no3)c1[O-])CCCC2 ZINC001217447994 1030402186 /nfs/dbraw/zinc/40/21/86/1030402186.db2.gz YPLGKWIUEPGDHA-UHFFFAOYSA-N -1 3 379.416 3.868 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(C5OCCO5)cc4)no3)c2c1 ZINC001217499783 1030442661 /nfs/dbraw/zinc/44/26/61/1030442661.db2.gz KCKBXQZJQNTPNS-UHFFFAOYSA-N -1 3 391.383 3.711 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3c([O-])cnc4ccc(C)cc43)n2)c1 ZINC001217501574 1030444088 /nfs/dbraw/zinc/44/40/88/1030444088.db2.gz UMOFTCJXUJZUER-UHFFFAOYSA-N -1 3 390.399 3.599 20 0 GHADHM C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc21 ZINC001150331250 1030491239 /nfs/dbraw/zinc/49/12/39/1030491239.db2.gz UWUJBZJHNHZWHJ-JTQLQIEISA-N -1 3 397.381 3.529 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3COCc4ccccc43)nc21 ZINC001223401414 1030555381 /nfs/dbraw/zinc/55/53/81/1030555381.db2.gz ABNZJIAQEAGTBX-HNAYVOBHSA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3COCc4ccccc43)[n-]c21 ZINC001223401414 1030555391 /nfs/dbraw/zinc/55/53/91/1030555391.db2.gz ABNZJIAQEAGTBX-HNAYVOBHSA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H](C)c3cccnc3F)nc21 ZINC001223402538 1030555978 /nfs/dbraw/zinc/55/59/78/1030555978.db2.gz DYSQKAFQBUCSTL-VVVCHXIZSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H](C)c3cccnc3F)[n-]c21 ZINC001223402538 1030555986 /nfs/dbraw/zinc/55/59/86/1030555986.db2.gz DYSQKAFQBUCSTL-VVVCHXIZSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H](C)c3ncccc3F)nc21 ZINC001223405145 1030557871 /nfs/dbraw/zinc/55/78/71/1030557871.db2.gz YPRAIWRGCZHQGJ-XYZCENFISA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H](C)c3ncccc3F)[n-]c21 ZINC001223405145 1030557885 /nfs/dbraw/zinc/55/78/85/1030557885.db2.gz YPRAIWRGCZHQGJ-XYZCENFISA-N -1 3 381.766 3.980 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC001150622575 1030591537 /nfs/dbraw/zinc/59/15/37/1030591537.db2.gz CWPKLOAMDIZKEC-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1cc2cccc(Br)c2s1 ZINC001151356771 1030876957 /nfs/dbraw/zinc/87/69/57/1030876957.db2.gz ZLSWKKPPLDZQRG-UHFFFAOYSA-N -1 3 395.234 3.999 20 0 GHADHM CC1(C)C[NH2+]CC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001218316919 1030889056 /nfs/dbraw/zinc/88/90/56/1030889056.db2.gz ZYZGLRUZTPOGCW-QGZVFWFLSA-N -1 3 381.428 3.638 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1Cc1ccccc1 ZINC001151926043 1031052111 /nfs/dbraw/zinc/05/21/11/1031052111.db2.gz LTKNSCGHMSDWII-GOSISDBHSA-N -1 3 378.394 3.918 20 0 GHADHM CCCCCC1CCC(c2ccc(NC(=O)[C@@H](N)Cc3nnn[n-]3)cc2)CC1 ZINC001218865328 1031124300 /nfs/dbraw/zinc/12/43/00/1031124300.db2.gz FNDRABHLWMNQQI-RJYAGPCLSA-N -1 3 384.528 3.562 20 0 GHADHM CCCCCC1CCC(c2ccc(NC(=O)[C@@H](N)Cc3nn[n-]n3)cc2)CC1 ZINC001218865328 1031124317 /nfs/dbraw/zinc/12/43/17/1031124317.db2.gz FNDRABHLWMNQQI-RJYAGPCLSA-N -1 3 384.528 3.562 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@@H](C)Nc1cccc2ccccc21 ZINC001219081309 1031246332 /nfs/dbraw/zinc/24/63/32/1031246332.db2.gz RFLLCPNJGACPFD-GFCCVEGCSA-N -1 3 382.391 3.910 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cnc2Cl)c1F ZINC000313226098 1031537393 /nfs/dbraw/zinc/53/73/93/1031537393.db2.gz ICMUBJNADYELQI-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3cc(OC(F)(F)F)ccc3[O-])cc(=O)c2c1 ZINC001153658779 1031695214 /nfs/dbraw/zinc/69/52/14/1031695214.db2.gz NQBNPMAZTPXEMB-UHFFFAOYSA-N -1 3 379.290 3.958 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226118113 1031796877 /nfs/dbraw/zinc/79/68/77/1031796877.db2.gz AIBLLYKUPDFSDX-AWEZNQCLSA-N -1 3 377.510 3.811 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc2ccc(OC)cc2s1 ZINC001153936583 1031825068 /nfs/dbraw/zinc/82/50/68/1031825068.db2.gz QMJJLUUSFNARCT-UHFFFAOYSA-N -1 3 375.377 3.794 20 0 GHADHM COc1ccc(C(Oc2[n-]c(=O)ncc2C(C)=O)c2ccc(OC)cc2)cc1 ZINC001226238295 1031871580 /nfs/dbraw/zinc/87/15/80/1031871580.db2.gz QWMJNBSDGDZCLH-UHFFFAOYSA-N -1 3 380.400 3.570 20 0 GHADHM Cc1cc(NC(=O)c2c([O-])cc3ccccc3c2O)ccc1N1CCOCC1 ZINC001154027853 1031884197 /nfs/dbraw/zinc/88/41/97/1031884197.db2.gz FEYHDUBWBOIQKA-UHFFFAOYSA-N -1 3 378.428 3.648 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(OC(F)(F)F)cc1Br ZINC001154067821 1031907383 /nfs/dbraw/zinc/90/73/83/1031907383.db2.gz NPBJFRCGNVWBBG-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM CNc1ccc(C(F)(F)F)cc1NC(=O)c1[n-]nc2c1cccc2C(=O)OC ZINC001154146611 1031950918 /nfs/dbraw/zinc/95/09/18/1031950918.db2.gz FZHLZYFQYNOSMH-UHFFFAOYSA-N -1 3 392.337 3.662 20 0 GHADHM CNc1ccc(C(F)(F)F)cc1NC(=O)c1n[n-]c2c1cccc2C(=O)OC ZINC001154146611 1031950919 /nfs/dbraw/zinc/95/09/19/1031950919.db2.gz FZHLZYFQYNOSMH-UHFFFAOYSA-N -1 3 392.337 3.662 20 0 GHADHM CCCc1nc2ccc(NC(=O)c3[n-]nc4c3cccc4C(=O)OC)cc2o1 ZINC001154147342 1031950980 /nfs/dbraw/zinc/95/09/80/1031950980.db2.gz URIYDTDRPZAJTA-UHFFFAOYSA-N -1 3 378.388 3.696 20 0 GHADHM CCCc1nc2ccc(NC(=O)c3n[n-]c4c3cccc4C(=O)OC)cc2o1 ZINC001154147342 1031950982 /nfs/dbraw/zinc/95/09/82/1031950982.db2.gz URIYDTDRPZAJTA-UHFFFAOYSA-N -1 3 378.388 3.696 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001226478062 1031973360 /nfs/dbraw/zinc/97/33/60/1031973360.db2.gz CNGZHYAGNJWADB-CYBMUJFWSA-N -1 3 379.453 3.715 20 0 GHADHM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1c([O-])ccc(C(C)=O)c1O ZINC001226482436 1031975632 /nfs/dbraw/zinc/97/56/32/1031975632.db2.gz NEUKFGBQSUFDSU-HIFRSBDPSA-N -1 3 379.453 3.859 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226484720 1031976500 /nfs/dbraw/zinc/97/65/00/1031976500.db2.gz ICZVIVTWNGQKBB-KRWDZBQOSA-N -1 3 380.343 3.619 20 0 GHADHM COC[C@H](C)OC[C@@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492437 1031981284 /nfs/dbraw/zinc/98/12/84/1031981284.db2.gz WZVQBMYSQIOPFD-LSDHHAIUSA-N -1 3 384.428 3.984 20 0 GHADHM Cc1cccc(COc2ccc(CNC(=O)c3cc4c(cc3[O-])OCO4)cc2)c1 ZINC001154200902 1031982380 /nfs/dbraw/zinc/98/23/80/1031982380.db2.gz HUBKCTBGRCCZKN-UHFFFAOYSA-N -1 3 391.423 3.938 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226594763 1032030676 /nfs/dbraw/zinc/03/06/76/1032030676.db2.gz APHUICMSFQTLLC-VFNWGFHPSA-N -1 3 387.432 3.667 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598957 1032035994 /nfs/dbraw/zinc/03/59/94/1032035994.db2.gz IVEYBDOZSOWVRM-IUODEOHRSA-N -1 3 375.421 3.523 20 0 GHADHM CCCO[C@@H](C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1C ZINC001157242274 1033488962 /nfs/dbraw/zinc/48/89/62/1033488962.db2.gz LBDLLRCCFHANNR-ZWNOBZJWSA-N -1 3 388.365 3.616 20 0 GHADHM O=C1O[C@@H](COc2nc(=S)[n-]c3sccc32)CN1c1cccc(F)c1 ZINC001229563548 1033559377 /nfs/dbraw/zinc/55/93/77/1033559377.db2.gz BYUVRBYNJNBJAP-LLVKDONJSA-N -1 3 377.422 3.523 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)n1ccc(CNCc2ccccc2)n1 ZINC001157612064 1033689442 /nfs/dbraw/zinc/68/94/42/1033689442.db2.gz OIMJLIAGYINZGL-UHFFFAOYSA-N -1 3 381.839 3.503 20 0 GHADHM Cc1ccc2c(CC(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)coc2c1C ZINC001158783782 1034269908 /nfs/dbraw/zinc/26/99/08/1034269908.db2.gz KLHMIENDODDXPY-JCNLHEQBSA-N -1 3 379.460 3.930 20 0 GHADHM Clc1cc2nc(OC[C@@H]3CN(Cc4ccccc4)CCO3)[n-]c2c(Cl)n1 ZINC001231045302 1034361575 /nfs/dbraw/zinc/36/15/75/1034361575.db2.gz UZLUWCZFLJZBIR-ZDUSSCGKSA-N -1 3 393.274 3.545 20 0 GHADHM CCN(Cc1cc(C(=O)[O-])ccc1F)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231460530 1034604573 /nfs/dbraw/zinc/60/45/73/1034604573.db2.gz LSADLUOLFUPIOI-CQSZACIVSA-N -1 3 380.460 3.603 20 0 GHADHM O=C(NCc1cccc(OC(F)(F)F)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001159513718 1034628255 /nfs/dbraw/zinc/62/82/55/1034628255.db2.gz UVIWMTMHOFIYAH-UHFFFAOYSA-N -1 3 398.287 3.635 20 0 GHADHM [O-]c1ccc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)cc1C(F)(F)F ZINC001231522705 1034673597 /nfs/dbraw/zinc/67/35/97/1034673597.db2.gz RUMUSFJODAKFPL-MRXNPFEDSA-N -1 3 395.425 3.666 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2cnn(CC)c21 ZINC001231522198 1034673783 /nfs/dbraw/zinc/67/37/83/1034673783.db2.gz NMDVQCUSMRZLRD-HNNXBMFYSA-N -1 3 383.414 3.763 20 0 GHADHM COc1ccc(CN2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)cc1 ZINC001231525113 1034677143 /nfs/dbraw/zinc/67/71/43/1034677143.db2.gz WHLSCWHNUMDGMS-UHFFFAOYSA-N -1 3 380.410 3.737 20 0 GHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2s1)c1cccs1 ZINC001208237716 1034828082 /nfs/dbraw/zinc/82/80/82/1034828082.db2.gz QIUUUXFWUHPGLG-GFCCVEGCSA-N -1 3 381.500 3.546 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)cc1F ZINC001208286113 1034847534 /nfs/dbraw/zinc/84/75/34/1034847534.db2.gz ZPDIVEQQLDFHFM-JTQLQIEISA-N -1 3 377.359 3.914 20 0 GHADHM COc1ccc(CN2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)cc1C(=O)[O-] ZINC001231749459 1034879697 /nfs/dbraw/zinc/87/96/97/1034879697.db2.gz HYVNITHSZHNKST-GDBMZVCRSA-N -1 3 392.496 3.519 20 0 GHADHM COc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)cc1C(=O)[O-] ZINC001231749333 1034879993 /nfs/dbraw/zinc/87/99/93/1034879993.db2.gz ACVKMYRLQHODMW-GOEBONIOSA-N -1 3 392.496 3.519 20 0 GHADHM COc1ccc(CN2CCN([C@H]3CCCc4ccccc43)CC2)cc1C(=O)[O-] ZINC001231755696 1034885249 /nfs/dbraw/zinc/88/52/49/1034885249.db2.gz VRXAIBLQUNJFLN-NRFANRHFSA-N -1 3 380.488 3.589 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(Cl)c([O-])c2)N(C)C)cc1 ZINC001160235059 1034912403 /nfs/dbraw/zinc/91/24/03/1034912403.db2.gz HUQJURIOILBLEK-SFHVURJKSA-N -1 3 376.884 3.866 20 0 GHADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)c([O-])c1 ZINC001160632334 1035020523 /nfs/dbraw/zinc/02/05/23/1035020523.db2.gz ZZMBVOKSEWYBOK-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c(C)n1Cc1ccccc1 ZINC001160948550 1035101912 /nfs/dbraw/zinc/10/19/12/1035101912.db2.gz MITWMAQTYUXOTD-UHFFFAOYSA-N -1 3 386.459 3.509 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c(C)n1Cc1ccccc1 ZINC001160948550 1035101918 /nfs/dbraw/zinc/10/19/18/1035101918.db2.gz MITWMAQTYUXOTD-UHFFFAOYSA-N -1 3 386.459 3.509 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948819 1035101985 /nfs/dbraw/zinc/10/19/85/1035101985.db2.gz PHETVUBNWOOKPH-CVEARBPZSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948819 1035101988 /nfs/dbraw/zinc/10/19/88/1035101988.db2.gz PHETVUBNWOOKPH-CVEARBPZSA-N -1 3 388.258 3.840 20 0 GHADHM CCCCN1CCc2ccc(NC(=O)c3c[n-]c4cc(OC)ccc4c3=O)cc21 ZINC001160998546 1035116398 /nfs/dbraw/zinc/11/63/98/1035116398.db2.gz RMWQUHDUCPIIJT-UHFFFAOYSA-N -1 3 391.471 3.952 20 0 GHADHM CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001161086623 1035137651 /nfs/dbraw/zinc/13/76/51/1035137651.db2.gz YNRMLMUQZXYNTP-UHFFFAOYSA-N -1 3 386.448 3.781 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001461946321 1069907781 /nfs/dbraw/zinc/90/77/81/1069907781.db2.gz RRRGIMNSTSQIFH-UHFFFAOYSA-N -1 3 384.373 3.748 20 0 GHADHM CCN(C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)c1cnn(C)c1 ZINC001161562400 1035259213 /nfs/dbraw/zinc/25/92/13/1035259213.db2.gz WZLJPWSJKBPXAM-UHFFFAOYSA-N -1 3 388.427 3.721 20 0 GHADHM Cc1ccc(-c2noc(-c3ccnc(-c4ccc(-c5nnn[n-]5)cc4)c3)n2)cc1 ZINC001241442364 1035582250 /nfs/dbraw/zinc/58/22/50/1035582250.db2.gz HXHZBUOTWIUAFS-UHFFFAOYSA-N -1 3 381.399 3.954 20 0 GHADHM Cc1ccc(-c2noc(-c3ccnc(-c4ccc(-c5nn[n-]n5)cc4)c3)n2)cc1 ZINC001241442364 1035582260 /nfs/dbraw/zinc/58/22/60/1035582260.db2.gz HXHZBUOTWIUAFS-UHFFFAOYSA-N -1 3 381.399 3.954 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc3c(c2)C(=O)CCC3)no1 ZINC001248249706 1035696634 /nfs/dbraw/zinc/69/66/34/1035696634.db2.gz LNHUWWIOUDURAJ-INIZCTEOSA-N -1 3 383.835 3.857 20 0 GHADHM O=c1[n-]c(Br)cnc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC001248521391 1035929727 /nfs/dbraw/zinc/92/97/27/1035929727.db2.gz DNUGVNABXNCTRK-UHFFFAOYSA-N -1 3 394.081 3.648 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243343615 1036121213 /nfs/dbraw/zinc/12/12/13/1036121213.db2.gz JNGYKRQAABXFMH-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1 ZINC001243674925 1036250022 /nfs/dbraw/zinc/25/00/22/1036250022.db2.gz QRSCRMSUZHCKFX-HNNXBMFYSA-N -1 3 391.437 3.845 20 0 GHADHM CCOC(=O)Cc1cnc(SC)nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457435 1036509389 /nfs/dbraw/zinc/50/93/89/1036509389.db2.gz XQUPEMZBIWZKMD-UHFFFAOYSA-N -1 3 388.367 3.575 20 0 GHADHM Fc1cc(-c2cc(Br)ncc2Br)ccc1-c1nnn[n-]1 ZINC001244733541 1036617570 /nfs/dbraw/zinc/61/75/70/1036617570.db2.gz RWGYGZVVBGSLEW-UHFFFAOYSA-N -1 3 399.021 3.593 20 0 GHADHM Fc1cc(-c2cc(Br)ncc2Br)ccc1-c1nn[n-]n1 ZINC001244733541 1036617584 /nfs/dbraw/zinc/61/75/84/1036617584.db2.gz RWGYGZVVBGSLEW-UHFFFAOYSA-N -1 3 399.021 3.593 20 0 GHADHM [O-]c1cccc2sc(NC(=S)Nc3ccc(N4CCOCC4)cc3)nc21 ZINC001247180987 1037971988 /nfs/dbraw/zinc/97/19/88/1037971988.db2.gz JMXMKMOXLVFECL-UHFFFAOYSA-N -1 3 386.502 3.647 20 0 GHADHM [O-]c1cccc(CN2CCCN(c3nccc(C(F)(F)F)n3)CC2)c1Cl ZINC001232786650 1038553430 /nfs/dbraw/zinc/55/34/30/1038553430.db2.gz DCUGXGXACFHXJP-UHFFFAOYSA-N -1 3 386.805 3.567 20 0 GHADHM Cc1cccc2c1CCN(Cc1ccc([O-])c(I)c1)C2 ZINC001232868801 1038636605 /nfs/dbraw/zinc/63/66/05/1038636605.db2.gz VPHGZYFHALCCEK-UHFFFAOYSA-N -1 3 379.241 3.864 20 0 GHADHM C[C@@H]1C(=O)CCN(Cc2ccc([O-])c(I)c2)C12CCCC2 ZINC001232873944 1038643554 /nfs/dbraw/zinc/64/35/54/1038643554.db2.gz IIYOQHLYPWYFGN-GFCCVEGCSA-N -1 3 399.272 3.721 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233032040 1038784913 /nfs/dbraw/zinc/78/49/13/1038784913.db2.gz CRLFESCDLRVVKT-IBGZPJMESA-N -1 3 381.904 3.664 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1OC1COC1 ZINC001252042891 1038826236 /nfs/dbraw/zinc/82/62/36/1038826236.db2.gz AJOXONZIPVYMRC-UHFFFAOYSA-N -1 3 391.489 3.571 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1ccc2ccccc2c1 ZINC001252810245 1039183338 /nfs/dbraw/zinc/18/33/38/1039183338.db2.gz ATFAQBDEBXMFAW-UHFFFAOYSA-N -1 3 387.436 3.672 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)C[C@@H]1C(F)(F)F ZINC001233397008 1039232398 /nfs/dbraw/zinc/23/23/98/1039232398.db2.gz HLACQACAWFGTCX-CYBMUJFWSA-N -1 3 396.356 3.654 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1F ZINC001233397218 1039232527 /nfs/dbraw/zinc/23/25/27/1039232527.db2.gz PTNJBSXKEUBPMP-SNVBAGLBSA-N -1 3 389.324 3.523 20 0 GHADHM COc1ccc(CN2CCn3c(COCC4CC4)cnc3[C@H]2C)c(Cl)c1[O-] ZINC001233398859 1039236128 /nfs/dbraw/zinc/23/61/28/1039236128.db2.gz BTPAYTXZWDRFAR-CYBMUJFWSA-N -1 3 391.899 3.754 20 0 GHADHM COc1ccc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233400226 1039237477 /nfs/dbraw/zinc/23/74/77/1039237477.db2.gz AIOUQAYRLCSQDC-BETUJISGSA-N -1 3 384.904 3.884 20 0 GHADHM COc1ccc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233401456 1039243736 /nfs/dbraw/zinc/24/37/36/1039243736.db2.gz AIOUQAYRLCSQDC-STQMWFEESA-N -1 3 384.904 3.884 20 0 GHADHM COc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c(Cl)c1[O-] ZINC001233402008 1039246042 /nfs/dbraw/zinc/24/60/42/1039246042.db2.gz XWZFGDXMPCYYNQ-UHFFFAOYSA-N -1 3 389.883 3.840 20 0 GHADHM COCCc1ccc(OC[C@H](O)CNc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001253056916 1039384683 /nfs/dbraw/zinc/38/46/83/1039384683.db2.gz VYYWEXHIFNKBJQ-CQSZACIVSA-N -1 3 386.275 3.740 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2c(Cl)ccc([O-])c2F)C1 ZINC001234262849 1039943728 /nfs/dbraw/zinc/94/37/28/1039943728.db2.gz JMATWDOVMOIEII-LLVKDONJSA-N -1 3 375.824 3.590 20 0 GHADHM COC(=O)C1=C[C@H](Oc2c(Cl)ccc([O-])c2F)CN(Cc2ccccc2)C1 ZINC001234263392 1039943750 /nfs/dbraw/zinc/94/37/50/1039943750.db2.gz ZDMPUSWBRBPIJQ-HNNXBMFYSA-N -1 3 391.826 3.547 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H](Oc3c(Cl)ccc([O-])c3F)CC[C@@H]21 ZINC001234264343 1039944686 /nfs/dbraw/zinc/94/46/86/1039944686.db2.gz QMAMNSXIHBGJGF-DETPVDSQSA-N -1 3 387.835 3.730 20 0 GHADHM CC(=O)N1CCC[C@@H](Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234378836 1039992176 /nfs/dbraw/zinc/99/21/76/1039992176.db2.gz BHIBJSONLDQIFM-OAHLLOKOSA-N -1 3 379.412 3.555 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@H](Oc3c([O-])cc(Cl)cc3F)CC[C@@H]21 ZINC001234448965 1040040834 /nfs/dbraw/zinc/04/08/34/1040040834.db2.gz ZOTXGIQQFWETSF-JGGQBBKZSA-N -1 3 387.835 3.730 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC001254195491 1040044588 /nfs/dbraw/zinc/04/45/88/1040044588.db2.gz PMZBPNIZMZDZDF-UHFFFAOYSA-N -1 3 391.342 3.822 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1cc(OCC(F)F)ccn1 ZINC001254287710 1040138577 /nfs/dbraw/zinc/13/85/77/1040138577.db2.gz HUDZIKHLHMTWAR-UHFFFAOYSA-N -1 3 386.345 3.532 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H]1CCc2cccnc21 ZINC001234607610 1040164791 /nfs/dbraw/zinc/16/47/91/1040164791.db2.gz DEGMEJAJFGPXBE-CYBMUJFWSA-N -1 3 378.222 3.793 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1CCCC(=O)C1(C)C ZINC001234607768 1040165689 /nfs/dbraw/zinc/16/56/89/1040165689.db2.gz FUKATLHNUNZCAD-ZDUSSCGKSA-N -1 3 385.254 3.858 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690256 1040222916 /nfs/dbraw/zinc/22/29/16/1040222916.db2.gz ATTUTNJCTYMIQE-ZBFHGGJFSA-N -1 3 385.464 3.874 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CN3CCC1CC3)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234758752 1040287568 /nfs/dbraw/zinc/28/75/68/1040287568.db2.gz JCOQOPPTDKZPPE-ICSRJNTNSA-N -1 3 395.455 3.580 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1Br ZINC001254520659 1040295643 /nfs/dbraw/zinc/29/56/43/1040295643.db2.gz USKKXROLFVAQAT-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001254800549 1040562528 /nfs/dbraw/zinc/56/25/28/1040562528.db2.gz MUECMMOOVFEPAY-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM CCOc1cnc(Br)c([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC001255022991 1040735437 /nfs/dbraw/zinc/73/54/37/1040735437.db2.gz PISCTVWOIZIFRS-UHFFFAOYSA-N -1 3 385.283 3.606 20 0 GHADHM CCCn1cc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)nn1 ZINC001278870497 1041107443 /nfs/dbraw/zinc/10/74/43/1041107443.db2.gz CMAKOBOJBWQUFR-UHFFFAOYSA-N -1 3 383.264 3.766 20 0 GHADHM [O-]c1ccc(CN2CCN[C@@H](c3cccc(Br)c3)C2)c(F)c1F ZINC001235793024 1041287719 /nfs/dbraw/zinc/28/77/19/1041287719.db2.gz OURBSSJHGVGOIH-CQSZACIVSA-N -1 3 383.236 3.579 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC001255855939 1041349174 /nfs/dbraw/zinc/34/91/74/1041349174.db2.gz GPFAJWMZCPMWHW-UHFFFAOYSA-N -1 3 391.342 3.822 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)cc1 ZINC001256200125 1041645274 /nfs/dbraw/zinc/64/52/74/1041645274.db2.gz KYTUSZPVZUKIQS-UHFFFAOYSA-N -1 3 382.913 3.576 20 0 GHADHM COc1cc2ccccc2cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001236678575 1041823891 /nfs/dbraw/zinc/82/38/91/1041823891.db2.gz CSJAUFBOBJHOKC-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM O=C(c1ccccc1)N1CCCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236698509 1041839189 /nfs/dbraw/zinc/83/91/89/1041839189.db2.gz MFBDWXGBTKBROG-UHFFFAOYSA-N -1 3 389.293 3.503 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4sc(=O)[n-]c4Cl)C3)CC2=O)s1 ZINC001237150742 1042065533 /nfs/dbraw/zinc/06/55/33/1042065533.db2.gz RENHDJGYZDDXDD-MRXNPFEDSA-N -1 3 383.926 3.501 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237157397 1042068456 /nfs/dbraw/zinc/06/84/56/1042068456.db2.gz FZSLWRCWWWMSIR-KRWDZBQOSA-N -1 3 387.933 3.868 20 0 GHADHM [O-]c1cc(F)cc(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001237279591 1042120127 /nfs/dbraw/zinc/12/01/27/1042120127.db2.gz UMXDSKBNVYVYJB-SIKLNZKXSA-N -1 3 386.467 3.514 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCN2)no1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001237548462 1042258933 /nfs/dbraw/zinc/25/89/33/1042258933.db2.gz LOTLCLPEQIXIIK-QGZVFWFLSA-N -1 3 387.436 3.706 20 0 GHADHM Nc1nc2cc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)ccc2s1 ZINC001237817703 1042384241 /nfs/dbraw/zinc/38/42/41/1042384241.db2.gz RUZOUFROXLSKPV-UHFFFAOYSA-N -1 3 387.408 3.839 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@@H]2C1 ZINC001237998679 1042451357 /nfs/dbraw/zinc/45/13/57/1042451357.db2.gz VPSPYTFZKHGTSR-ZIAGYGMSSA-N -1 3 384.879 3.874 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1-c1ccccc1 ZINC001238008868 1042457337 /nfs/dbraw/zinc/45/73/37/1042457337.db2.gz MWIQGXIJFSBQNZ-UHFFFAOYSA-N -1 3 382.441 3.523 20 0 GHADHM O=S(=O)([N-]Cc1c[nH]c2ccccc12)c1ncccc1OCc1ccccc1 ZINC001238524883 1042628903 /nfs/dbraw/zinc/62/89/03/1042628903.db2.gz MFPVPPQMTMWZBL-UHFFFAOYSA-N -1 3 393.468 3.620 20 0 GHADHM CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(-c2ccccc2[O-])ncn1 ZINC001241007477 1042969766 /nfs/dbraw/zinc/96/97/66/1042969766.db2.gz CYBRPKCNPIPUDV-FOWTUZBSSA-N -1 3 378.384 3.802 20 0 GHADHM C[C@]12CC3(O)CC([N-]S(=O)(=O)c4ccc(Cl)s4)(C1)C[C@@](C)(C3)C2 ZINC001256534089 1043469267 /nfs/dbraw/zinc/46/92/67/1043469267.db2.gz UZDDNNHZLBZBFZ-PJPHBNEVSA-N -1 3 375.943 3.544 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(Br)ccc21)c1ccc(Cl)s1 ZINC001256548810 1043509404 /nfs/dbraw/zinc/50/94/04/1043509404.db2.gz WACROHQRUOCOBB-SECBINFHSA-N -1 3 394.699 3.576 20 0 GHADHM COc1ccc(-n2ccc(C[N-]C(=O)C(F)(F)c3cc(F)cc(F)c3)n2)cc1 ZINC001292084851 1043586819 /nfs/dbraw/zinc/58/68/19/1043586819.db2.gz WFNBVHLPAMBCCZ-UHFFFAOYSA-N -1 3 393.340 3.567 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc2ncccc2o1 ZINC001292463548 1043747435 /nfs/dbraw/zinc/74/74/35/1043747435.db2.gz ZMPGUVKIWKWNEH-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM CC(C)c1nc(CCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cs1 ZINC001292624849 1043806951 /nfs/dbraw/zinc/80/69/51/1043806951.db2.gz HAHJGHHVXWAOGQ-UHFFFAOYSA-N -1 3 375.881 3.734 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1 ZINC001292846621 1043911688 /nfs/dbraw/zinc/91/16/88/1043911688.db2.gz PIHCMPSKSAUPCV-UHFFFAOYSA-N -1 3 385.514 3.995 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc(-c3cccs3)cs2)c([O-])c1 ZINC001292904501 1043940255 /nfs/dbraw/zinc/94/02/55/1043940255.db2.gz PDKYFOOJGAEXGJ-UHFFFAOYSA-N -1 3 387.486 3.644 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC001257276840 1043954346 /nfs/dbraw/zinc/95/43/46/1043954346.db2.gz VFDKCSSYVXBJNN-UHFFFAOYSA-N -1 3 378.664 3.808 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2cc(F)ccc21)c1cccc(Cl)c1Cl ZINC001257293001 1043958353 /nfs/dbraw/zinc/95/83/53/1043958353.db2.gz AXTGWWSAVNBBCV-GFCCVEGCSA-N -1 3 376.236 3.935 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1Br)c1cccc(Cl)c1Cl ZINC001257293076 1043959568 /nfs/dbraw/zinc/95/95/68/1043959568.db2.gz FWGZKRBYMGZXHM-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1c(F)cccc1OC(F)(F)F ZINC001462773199 1070536426 /nfs/dbraw/zinc/53/64/26/1070536426.db2.gz ZOWREAODINRLAK-UHFFFAOYSA-N -1 3 389.370 3.734 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)o2)cc1 ZINC001257341021 1043967721 /nfs/dbraw/zinc/96/77/21/1043967721.db2.gz GBLUXCHYUUEOLQ-GJZGRUSLSA-N -1 3 387.436 3.827 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cc2nc(Cl)ncc2s1 ZINC001462773382 1070537184 /nfs/dbraw/zinc/53/71/84/1070537184.db2.gz FHRGESWMLDZGPV-UHFFFAOYSA-N -1 3 380.303 3.538 20 0 GHADHM CCC(C)(C)C1CCC([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)CC1 ZINC001462791241 1070549442 /nfs/dbraw/zinc/54/94/42/1070549442.db2.gz GEMPQGKKKMTQGU-UHFFFAOYSA-N -1 3 385.501 3.886 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cn1)c1c(Cl)cccc1Cl ZINC001257765352 1044154672 /nfs/dbraw/zinc/15/46/72/1044154672.db2.gz BMDFYYZQOPEBEU-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC001257854966 1044222638 /nfs/dbraw/zinc/22/26/38/1044222638.db2.gz LOWPOOSKRRZEJC-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1c(Cl)cc([O-])cc1Cl ZINC001279083826 1044477223 /nfs/dbraw/zinc/47/72/23/1044477223.db2.gz KJFRHGRNVPVSJA-TXEJJXNPSA-N -1 3 384.332 3.923 20 0 GHADHM CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc(C)c3[O-])ccc2C)ccn1 ZINC001294266701 1044557669 /nfs/dbraw/zinc/55/76/69/1044557669.db2.gz YXCOSWNMASIJPQ-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC001462838072 1070585488 /nfs/dbraw/zinc/58/54/88/1070585488.db2.gz PLODYEYOHMNOHQ-QGZVFWFLSA-N -1 3 397.443 3.817 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)nc1Cl ZINC001462853934 1070598598 /nfs/dbraw/zinc/59/85/98/1070598598.db2.gz OYOIZCFNNQBMIB-MRXNPFEDSA-N -1 3 396.299 3.795 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]c1nncn1-c1ccccc1 ZINC001295206853 1044949433 /nfs/dbraw/zinc/94/94/33/1044949433.db2.gz NEIDIYXTUKTHEK-UHFFFAOYSA-N -1 3 378.766 3.660 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(Br)c1F)c1ccc(F)c(F)c1 ZINC001259090885 1044956301 /nfs/dbraw/zinc/95/63/01/1044956301.db2.gz CMYBEHXBPBKOBV-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Br ZINC001259090611 1044956421 /nfs/dbraw/zinc/95/64/21/1044956421.db2.gz HUDHHVWPWZPJOG-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Br)cc1C ZINC001259162180 1044984819 /nfs/dbraw/zinc/98/48/19/1044984819.db2.gz SHLVMNMLHWLYAI-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC001259205375 1045007917 /nfs/dbraw/zinc/00/79/17/1045007917.db2.gz OLLPLDRSNLFEEC-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1cccc(-c2ccccc2)c1 ZINC001259231099 1045026684 /nfs/dbraw/zinc/02/66/84/1045026684.db2.gz AXZPWMGTVCVTBT-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001259252987 1045043947 /nfs/dbraw/zinc/04/39/47/1045043947.db2.gz LMQZUHKEWIEQED-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311899 1045070842 /nfs/dbraw/zinc/07/08/42/1045070842.db2.gz VGUPUDCIWNTHOM-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC001259344536 1045091025 /nfs/dbraw/zinc/09/10/25/1045091025.db2.gz ZHHRAVNOMZWBPG-UHFFFAOYSA-N -1 3 389.473 3.828 20 0 GHADHM CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001259345585 1045093064 /nfs/dbraw/zinc/09/30/64/1045093064.db2.gz QFQSAPYDUFQQAB-UHFFFAOYSA-N -1 3 377.462 3.684 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259361346 1045100171 /nfs/dbraw/zinc/10/01/71/1045100171.db2.gz QKHOONWJPAMSRJ-UHFFFAOYSA-N -1 3 397.378 3.880 20 0 GHADHM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1cc2c(cc1[O-])OCO2 ZINC001295791919 1045140064 /nfs/dbraw/zinc/14/00/64/1045140064.db2.gz CPDLEUHMXJQVCB-UHFFFAOYSA-N -1 3 392.198 3.866 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1cccc(OC(F)F)c1 ZINC001259445219 1045159889 /nfs/dbraw/zinc/15/98/89/1045159889.db2.gz STHRBZSELYMSQV-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(Cl)c1)C1CC1)c1cccc(Cl)c1F ZINC001259472269 1045184792 /nfs/dbraw/zinc/18/47/92/1045184792.db2.gz NNZLNKQNIKWYAM-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(C)cc2OCc2ccccc2)[n-]n1 ZINC001295912728 1045187109 /nfs/dbraw/zinc/18/71/09/1045187109.db2.gz KVLSZQBGPMEQCT-UHFFFAOYSA-N -1 3 385.445 3.788 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(C)cc2OCc2ccccc2)n[n-]1 ZINC001295912728 1045187119 /nfs/dbraw/zinc/18/71/19/1045187119.db2.gz KVLSZQBGPMEQCT-UHFFFAOYSA-N -1 3 385.445 3.788 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-c1cccnc1)c1cc(F)c(F)c(F)c1 ZINC001259503792 1045207898 /nfs/dbraw/zinc/20/78/98/1045207898.db2.gz OLPRVBNMNXEHQZ-UHFFFAOYSA-N -1 3 378.375 3.644 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(Cl)c1)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001259505066 1045209664 /nfs/dbraw/zinc/20/96/64/1045209664.db2.gz RFZHWIXYDYUVMN-OAHLLOKOSA-N -1 3 376.787 3.582 20 0 GHADHM O=S(=O)([N-]Cc1cccc(N2CCCCC2)c1)c1ccc(Cl)cc1F ZINC001259512912 1045215025 /nfs/dbraw/zinc/21/50/25/1045215025.db2.gz ILUNLJJGDPFKSI-UHFFFAOYSA-N -1 3 382.888 3.948 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1Cl)C1CC1)c1ccc(Cl)cc1F ZINC001259515442 1045216508 /nfs/dbraw/zinc/21/65/08/1045216508.db2.gz JHZPWHKPLBLFSB-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)c1 ZINC001259524384 1045222140 /nfs/dbraw/zinc/22/21/40/1045222140.db2.gz OYAVTGIOGCDTSY-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1OC(C)C ZINC001296084133 1045249798 /nfs/dbraw/zinc/24/97/98/1045249798.db2.gz JQIKIMZQCBIKSJ-UHFFFAOYSA-N -1 3 388.370 3.854 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001259767716 1045294672 /nfs/dbraw/zinc/29/46/72/1045294672.db2.gz SIKXAAFWBDBGEK-UHFFFAOYSA-N -1 3 384.301 3.502 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(F)c1 ZINC001259787101 1045304447 /nfs/dbraw/zinc/30/44/47/1045304447.db2.gz GMXMFBIYSDXEEK-UHFFFAOYSA-N -1 3 397.443 3.905 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c(Br)n1 ZINC001260087246 1045377620 /nfs/dbraw/zinc/37/76/20/1045377620.db2.gz RVNFCDBPZKLGJE-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(Oc2ccccn2)cc1 ZINC001260145946 1045395780 /nfs/dbraw/zinc/39/57/80/1045395780.db2.gz GPYKRTUZIOVVDB-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c(Cl)c1 ZINC001260297930 1045450438 /nfs/dbraw/zinc/45/04/38/1045450438.db2.gz HQMQRJUAJPSYSD-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1ccc(Br)cc1F ZINC001260380169 1045483778 /nfs/dbraw/zinc/48/37/78/1045483778.db2.gz UIKBBCFWYLOSRG-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@H]1CC12CCC(F)(F)CC2)c1ccc(Br)cc1F ZINC001260381493 1045484822 /nfs/dbraw/zinc/48/48/22/1045484822.db2.gz DDRWCKHWNPTXKD-LBPRGKRZSA-N -1 3 398.244 3.835 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000557211649 1045491802 /nfs/dbraw/zinc/49/18/02/1045491802.db2.gz SQVXWVNPUMCHJI-GFCCVEGCSA-N -1 3 380.680 3.659 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3F)ccc2o1 ZINC001260451109 1045497481 /nfs/dbraw/zinc/49/74/81/1045497481.db2.gz ACAZUTNSJYEEIH-UHFFFAOYSA-N -1 3 387.310 3.752 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC001462915251 1070657521 /nfs/dbraw/zinc/65/75/21/1070657521.db2.gz UEPYQPVUQHVWRT-MNOVXSKESA-N -1 3 394.306 3.701 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-][C@H](C1CCC1)C(F)(F)F ZINC001260464012 1045504250 /nfs/dbraw/zinc/50/42/50/1045504250.db2.gz XNDLVKNOMUUKFC-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM O=C(NCCOCC(F)(F)C(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC001297433722 1045520660 /nfs/dbraw/zinc/52/06/60/1045520660.db2.gz ZLNQLHNMMTVDJE-UHFFFAOYSA-N -1 3 387.329 3.831 20 0 GHADHM O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc(O)cc1[O-] ZINC001297482679 1045537578 /nfs/dbraw/zinc/53/75/78/1045537578.db2.gz CWPDRRYTHNVVDN-LBPRGKRZSA-N -1 3 381.259 3.803 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(C2CCC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC001260560313 1045547358 /nfs/dbraw/zinc/54/73/58/1045547358.db2.gz OYCCJPLEIFPEHA-JTQLQIEISA-N -1 3 383.728 3.552 20 0 GHADHM O=S(=O)([N-]Cc1ncn2ccccc12)c1c(Cl)cc(Cl)cc1Cl ZINC001260560378 1045550125 /nfs/dbraw/zinc/55/01/25/1045550125.db2.gz RYTPTSLZVGPTKQ-UHFFFAOYSA-N -1 3 390.679 3.773 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])CCCC2)c1 ZINC001297611020 1045587484 /nfs/dbraw/zinc/58/74/84/1045587484.db2.gz UDSOKKDXAZXPNY-IAGOWNOFSA-N -1 3 395.503 3.687 20 0 GHADHM CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001297609000 1045587512 /nfs/dbraw/zinc/58/75/12/1045587512.db2.gz DQTQMOIZDCWAIL-MRXNPFEDSA-N -1 3 398.459 3.877 20 0 GHADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC001260718000 1045624188 /nfs/dbraw/zinc/62/41/88/1045624188.db2.gz QCHQXLGCPZRVNQ-UHFFFAOYSA-N -1 3 393.436 3.517 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cnc2cc(C3CC3)nn2c1 ZINC001260818824 1045685816 /nfs/dbraw/zinc/68/58/16/1045685816.db2.gz ANRHQAWCGFZRQX-UHFFFAOYSA-N -1 3 397.287 3.855 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(F)c1 ZINC001260850222 1045712759 /nfs/dbraw/zinc/71/27/59/1045712759.db2.gz KUSABBPRYGKGCR-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Cl)c1ccc(Br)c(F)c1 ZINC001260854761 1045714079 /nfs/dbraw/zinc/71/40/79/1045714079.db2.gz PTNYLMODCOCLKR-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3)c(F)c2)cc1Cl ZINC001260972992 1045790026 /nfs/dbraw/zinc/79/00/26/1045790026.db2.gz DUSMFJLULCLFKE-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1C ZINC001260990659 1045806284 /nfs/dbraw/zinc/80/62/84/1045806284.db2.gz MAFROVXHCBLGTM-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)c1C ZINC001260998256 1045813017 /nfs/dbraw/zinc/81/30/17/1045813017.db2.gz LRNBCPTUTIIWBR-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(O)cc21)c1ccc(F)cc1C(F)(F)F ZINC001261012543 1045832686 /nfs/dbraw/zinc/83/26/86/1045832686.db2.gz XOGXSKNXPRVQJB-CQSZACIVSA-N -1 3 375.343 3.516 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(F)c1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC001261014279 1045837279 /nfs/dbraw/zinc/83/72/79/1045837279.db2.gz WHTSOFWNJPRPIX-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261014799 1045838706 /nfs/dbraw/zinc/83/87/06/1045838706.db2.gz QFFWWCJQCRXNHJ-AWEZNQCLSA-N -1 3 391.361 3.819 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(N2CCOC2=O)cc1 ZINC001298513222 1045844150 /nfs/dbraw/zinc/84/41/50/1045844150.db2.gz JARPSUIWHDAZKL-UHFFFAOYSA-N -1 3 391.221 3.672 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnc(-c2ncccn2)s1 ZINC001298515058 1045846649 /nfs/dbraw/zinc/84/66/49/1045846649.db2.gz ZWTMIKGFOPKMEF-UHFFFAOYSA-N -1 3 391.250 3.629 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1ccco1 ZINC001462988481 1070711629 /nfs/dbraw/zinc/71/16/29/1070711629.db2.gz DXZFOQSBWKZGIX-QGZVFWFLSA-N -1 3 393.505 3.685 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001298549684 1045866720 /nfs/dbraw/zinc/86/67/20/1045866720.db2.gz ARQYCJTZHZIQOG-SNVBAGLBSA-N -1 3 382.844 3.884 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCC2)ccc1Br ZINC001261051030 1045873104 /nfs/dbraw/zinc/87/31/04/1045873104.db2.gz YWFJBLUCGCFBGS-UHFFFAOYSA-N -1 3 386.233 3.911 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001261077075 1045892587 /nfs/dbraw/zinc/89/25/87/1045892587.db2.gz JNICMJDCKGGKII-UHFFFAOYSA-N -1 3 396.683 3.696 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)F ZINC001261269368 1045950837 /nfs/dbraw/zinc/95/08/37/1045950837.db2.gz MAZCOGDDVFYKFM-HNNXBMFYSA-N -1 3 394.418 3.824 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001298992966 1045994326 /nfs/dbraw/zinc/99/43/26/1045994326.db2.gz FWFKKXJZMZGIMX-NSHDSACASA-N -1 3 375.354 3.552 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001298992966 1045994331 /nfs/dbraw/zinc/99/43/31/1045994331.db2.gz FWFKKXJZMZGIMX-NSHDSACASA-N -1 3 375.354 3.552 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCC2)O1)c1ccc(C(F)(F)F)nc1Cl ZINC001261554156 1046025954 /nfs/dbraw/zinc/02/59/54/1046025954.db2.gz WEWGABLYPMWSRE-JTQLQIEISA-N -1 3 398.834 3.524 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3c(c2)COC(=O)N3)s1 ZINC001300849250 1046208301 /nfs/dbraw/zinc/20/83/01/1046208301.db2.gz UZOQGGYEQNGSSD-UHFFFAOYSA-N -1 3 390.421 3.805 20 0 GHADHM C[C@@H]1CCc2nc([N-]C(=O)c3sc(Cl)nc3C(F)(F)F)ncc2C1 ZINC001262816817 1046359824 /nfs/dbraw/zinc/35/98/24/1046359824.db2.gz IRKGPLNDCCMKHF-ZCFIWIBFSA-N -1 3 376.791 3.982 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001263008412 1046496319 /nfs/dbraw/zinc/49/63/19/1046496319.db2.gz YHKLXQNWTRQXKN-KRWDZBQOSA-N -1 3 382.842 3.678 20 0 GHADHM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001263050817 1046535772 /nfs/dbraw/zinc/53/57/72/1046535772.db2.gz HETLMBXZKNAZPI-LBPRGKRZSA-N -1 3 394.454 3.601 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001301570555 1046604264 /nfs/dbraw/zinc/60/42/64/1046604264.db2.gz HEWGPUMIPLPHIR-AWEZNQCLSA-N -1 3 387.892 3.733 20 0 GHADHM Cc1ccc2[nH]c(C(=O)Nc3ccc(Br)cc3-c3nnn[n-]3)cc2c1 ZINC001301894775 1046749050 /nfs/dbraw/zinc/74/90/50/1046749050.db2.gz FMMGOBUPHOXOTB-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc2[nH]c(C(=O)Nc3ccc(Br)cc3-c3nn[n-]n3)cc2c1 ZINC001301894775 1046749063 /nfs/dbraw/zinc/74/90/63/1046749063.db2.gz FMMGOBUPHOXOTB-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001302445176 1046942072 /nfs/dbraw/zinc/94/20/72/1046942072.db2.gz JQSDIHVGEKKPLA-OAHLLOKOSA-N -1 3 387.785 3.819 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000384949390 1047204525 /nfs/dbraw/zinc/20/45/25/1047204525.db2.gz MCMGXLGHHVSVSZ-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)s1 ZINC001264001362 1047210161 /nfs/dbraw/zinc/21/01/61/1047210161.db2.gz SYDXORPQUCSXIA-OLZOCXBDSA-N -1 3 381.498 3.664 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2coc(OCC)n2)sc2c1CC[C@H](C)C2 ZINC001264066107 1047230656 /nfs/dbraw/zinc/23/06/56/1047230656.db2.gz YNYNIANNBUNLCK-JTQLQIEISA-N -1 3 378.450 3.689 20 0 GHADHM O=C(NCC(F)(F)c1cc(F)cc(F)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001303171705 1047303504 /nfs/dbraw/zinc/30/35/04/1047303504.db2.gz ZZYHRPZLUQKLBA-UHFFFAOYSA-N -1 3 398.743 3.982 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001303257509 1047326358 /nfs/dbraw/zinc/32/63/58/1047326358.db2.gz POMWOWUUQKQWFH-UHFFFAOYSA-N -1 3 393.487 3.763 20 0 GHADHM C[S@@](=O)(=NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1ccccc1 ZINC001303908132 1047532028 /nfs/dbraw/zinc/53/20/28/1047532028.db2.gz MPWGNTOXAJKJCX-MHZLTWQESA-N -1 3 379.437 3.920 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2cccc(OCC=C(C)C)c2)c([O-])c(OC)c1 ZINC001304504549 1047695184 /nfs/dbraw/zinc/69/51/84/1047695184.db2.gz FBYFWMCTIDQDCN-UHFFFAOYSA-N -1 3 399.443 3.714 20 0 GHADHM O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CCN2Cc1ccc(Cl)c([O-])c1 ZINC001279311697 1047763064 /nfs/dbraw/zinc/76/30/64/1047763064.db2.gz CFCXZZPZYQODNO-IRXDYDNUSA-N -1 3 376.909 3.525 20 0 GHADHM Cc1cc(OCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1C(C)C ZINC001304814002 1047779141 /nfs/dbraw/zinc/77/91/41/1047779141.db2.gz IHHDCSCISPSURC-QAQDUYKDSA-N -1 3 383.492 3.835 20 0 GHADHM C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NC(=O)OC(C)(C)C ZINC000749913943 1047874131 /nfs/dbraw/zinc/87/41/31/1047874131.db2.gz WYUSRSGMXSLPCE-JTQLQIEISA-N -1 3 397.324 3.575 20 0 GHADHM CCCC[C@H](CC)CN1CCO[C@H]2CN(Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001279684333 1047914025 /nfs/dbraw/zinc/91/40/25/1047914025.db2.gz GBELNBIPYHXUDI-WDYCEAGBSA-N -1 3 381.948 3.542 20 0 GHADHM C[C@H](CN1CC[C@H]2C[C@]21C(=O)Nc1nc2c(cccc2[O-])s1)C(F)(F)F ZINC001280068816 1048070214 /nfs/dbraw/zinc/07/02/14/1048070214.db2.gz WNYWJUCAZOJNGV-KCWFYHRYSA-N -1 3 385.411 3.603 20 0 GHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CN1Cc1ccccc1 ZINC001463312120 1070980335 /nfs/dbraw/zinc/98/03/35/1070980335.db2.gz ZIGMDWJSLQSMFM-RDTXWAMCSA-N -1 3 388.464 3.513 20 0 GHADHM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C ZINC001305908332 1048298995 /nfs/dbraw/zinc/29/89/95/1048298995.db2.gz XFTRSZUPYHWAFY-RDNQGFKOSA-N -1 3 379.472 3.679 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)s3)n[n-]2)o1 ZINC001306705987 1048836354 /nfs/dbraw/zinc/83/63/54/1048836354.db2.gz DVZQFJOREVQWFC-UHFFFAOYSA-N -1 3 388.840 3.585 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001288088228 1048980453 /nfs/dbraw/zinc/98/04/53/1048980453.db2.gz MBPFRCLAHSOTDT-UHFFFAOYSA-N -1 3 375.428 3.663 20 0 GHADHM CCOC(=O)c1oc([N-][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)nc1C(F)(F)F ZINC001307110791 1049081597 /nfs/dbraw/zinc/08/15/97/1049081597.db2.gz DJEIYXQREBAUHJ-YUMQZZPRSA-N -1 3 375.351 3.675 20 0 GHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3n[nH]c(C4CCOCC4)n3)n2)c1 ZINC001307182343 1049123435 /nfs/dbraw/zinc/12/34/35/1049123435.db2.gz LULXDPURZNIPJM-UHFFFAOYSA-N -1 3 395.250 3.668 20 0 GHADHM CN(C)c1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)cc1 ZINC001307373180 1049230708 /nfs/dbraw/zinc/23/07/08/1049230708.db2.gz JFMUPPMJXQIMLI-UHFFFAOYSA-N -1 3 391.500 3.939 20 0 GHADHM C[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC001307939001 1049709616 /nfs/dbraw/zinc/70/96/16/1049709616.db2.gz MRGLIKVOSZSONS-MAUKXSAKSA-N -1 3 383.492 3.649 20 0 GHADHM C[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001307939003 1049710330 /nfs/dbraw/zinc/71/03/30/1049710330.db2.gz MRGLIKVOSZSONS-YJBOKZPZSA-N -1 3 383.492 3.649 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)CN3Cc4nc(C)[n-]c(=O)c4C3)cc2)c1 ZINC001307979075 1049736587 /nfs/dbraw/zinc/73/65/87/1049736587.db2.gz VQQBYFKGCYCFEQ-UHFFFAOYSA-N -1 3 390.443 3.546 20 0 GHADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC001307985790 1049741019 /nfs/dbraw/zinc/74/10/19/1049741019.db2.gz QGWXAVQTQUMHOO-ABAIWWIYSA-N -1 3 398.290 3.622 20 0 GHADHM CN(Cc1cscc1Br)Cc1nnc(-c2ccccc2[O-])o1 ZINC001308045242 1049794798 /nfs/dbraw/zinc/79/47/98/1049794798.db2.gz WKWQWTJJWLLJGU-UHFFFAOYSA-N -1 3 380.267 3.898 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccsc1 ZINC001290642661 1049892661 /nfs/dbraw/zinc/89/26/61/1049892661.db2.gz VUWZBLWDRBNENK-LBPRGKRZSA-N -1 3 396.538 3.584 20 0 GHADHM CCn1cnnc1-c1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001290989832 1049965620 /nfs/dbraw/zinc/96/56/20/1049965620.db2.gz ZVZXSVQEPBJLJD-UHFFFAOYSA-N -1 3 387.237 3.685 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@H]1CCCN(c2ccccc2)C1=O ZINC001308618880 1050035232 /nfs/dbraw/zinc/03/52/32/1050035232.db2.gz IOQFPEBNEBEZBT-INIZCTEOSA-N -1 3 389.293 3.782 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC001309068772 1050320600 /nfs/dbraw/zinc/32/06/00/1050320600.db2.gz AKIOEQGYYHWBFV-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC001309192274 1050452626 /nfs/dbraw/zinc/45/26/26/1050452626.db2.gz YUASYPOUVRRPBR-DTWKUNHWSA-N -1 3 388.864 3.706 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(C)(C)c1ccccc1 ZINC001309221125 1050487946 /nfs/dbraw/zinc/48/79/46/1050487946.db2.gz YHZFODQHZHEBEI-AWEZNQCLSA-N -1 3 397.338 3.879 20 0 GHADHM CON(C(=O)CCc1c(C)nc[n-]c1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001328594664 1050554780 /nfs/dbraw/zinc/55/47/80/1050554780.db2.gz SYADXAXNANYWJH-GFCCVEGCSA-N -1 3 383.370 3.593 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)c(F)c1F ZINC001309287743 1050558875 /nfs/dbraw/zinc/55/88/75/1050558875.db2.gz GIQYCGJGVCACQJ-CQSZACIVSA-N -1 3 380.460 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC001328692755 1050594662 /nfs/dbraw/zinc/59/46/62/1050594662.db2.gz GXDYIQZDYWVNNE-UHFFFAOYSA-N -1 3 397.269 3.660 20 0 GHADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)OC ZINC001309329530 1050597808 /nfs/dbraw/zinc/59/78/08/1050597808.db2.gz AZWSZDGSOQJJQL-AWEZNQCLSA-N -1 3 385.423 3.964 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)CC3 ZINC001309352525 1050626149 /nfs/dbraw/zinc/62/61/49/1050626149.db2.gz UBNFTUVUZLVXHV-CYBMUJFWSA-N -1 3 390.455 3.899 20 0 GHADHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC001309427266 1050710781 /nfs/dbraw/zinc/71/07/81/1050710781.db2.gz JNOKLEVKXCOYFW-HNNXBMFYSA-N -1 3 382.309 3.640 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1F ZINC001309579006 1050829438 /nfs/dbraw/zinc/82/94/38/1050829438.db2.gz HKRVGERYFDOHIO-GFCCVEGCSA-N -1 3 396.434 3.814 20 0 GHADHM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1cccc(Br)n1)C1CC1 ZINC001309591905 1050842616 /nfs/dbraw/zinc/84/26/16/1050842616.db2.gz DVODAUPOZDCYPF-KRWDZBQOSA-N -1 3 395.322 3.534 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(Br)c2C)cc1F ZINC001309628064 1050878225 /nfs/dbraw/zinc/87/82/25/1050878225.db2.gz IFESNNJUTQOAPF-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001309653962 1050900441 /nfs/dbraw/zinc/90/04/41/1050900441.db2.gz NREDQNHZHBBRBJ-MNOVXSKESA-N -1 3 394.320 3.782 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2C[C@@H](C)C[C@H](C)C2)c(C)c1Cl ZINC001309665782 1050908474 /nfs/dbraw/zinc/90/84/74/1050908474.db2.gz JTYFERGRIIGPKH-UWVGGRQHSA-N -1 3 393.958 3.847 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CCC2)s1 ZINC001309790924 1050975302 /nfs/dbraw/zinc/97/53/02/1050975302.db2.gz ABYQNSDJWJHMQR-LBPRGKRZSA-N -1 3 394.356 3.589 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC001330609233 1051039478 /nfs/dbraw/zinc/03/94/78/1051039478.db2.gz SFZLYROURCGSMD-MRXNPFEDSA-N -1 3 382.382 3.890 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001309959111 1051072606 /nfs/dbraw/zinc/07/26/06/1051072606.db2.gz FEUBYNLXNHOFBF-NWDGAFQWSA-N -1 3 378.357 3.924 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001310079785 1051141634 /nfs/dbraw/zinc/14/16/34/1051141634.db2.gz DTAVQJPIGQTZFT-UHFFFAOYSA-N -1 3 380.452 3.741 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001310079785 1051141647 /nfs/dbraw/zinc/14/16/47/1051141647.db2.gz DTAVQJPIGQTZFT-UHFFFAOYSA-N -1 3 380.452 3.741 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1-c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001310454073 1051368434 /nfs/dbraw/zinc/36/84/34/1051368434.db2.gz SYKFHBZDYJMVBZ-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001310743783 1051565161 /nfs/dbraw/zinc/56/51/61/1051565161.db2.gz GLXDWNKWLBLCSZ-UHFFFAOYSA-N -1 3 388.399 3.738 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(Br)cc1C(C)C ZINC001336532328 1052283401 /nfs/dbraw/zinc/28/34/01/1052283401.db2.gz RJGCYPUMUPDPBF-UHFFFAOYSA-N -1 3 378.270 3.948 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1ccc(C2CC2)cc1F ZINC001336861572 1052352780 /nfs/dbraw/zinc/35/27/80/1052352780.db2.gz LYSCSUAPNHEVNU-UHFFFAOYSA-N -1 3 395.431 3.535 20 0 GHADHM C[C@H]1C[C@H](NC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)C[C@@H](C)C1 ZINC001312048933 1052546882 /nfs/dbraw/zinc/54/68/82/1052546882.db2.gz RUUUMBOJDPDNEH-BFJAYTPKSA-N -1 3 397.441 3.631 20 0 GHADHM CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001312079531 1052560679 /nfs/dbraw/zinc/56/06/79/1052560679.db2.gz SVSPPBZAPQOEPW-IBGZPJMESA-N -1 3 389.446 3.649 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001312864638 1052897052 /nfs/dbraw/zinc/89/70/52/1052897052.db2.gz DIZCWJWPJRCMGS-LSDHHAIUSA-N -1 3 399.532 3.603 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)N[C@H]2CCCC23CC3)c2ccccc21)C(F)(F)F ZINC001313119599 1052962213 /nfs/dbraw/zinc/96/22/13/1052962213.db2.gz DVTMWXIZJDKONH-CJNGLKHVSA-N -1 3 395.425 3.701 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001344092461 1054242880 /nfs/dbraw/zinc/24/28/80/1054242880.db2.gz KMOXKNUSSJHUAN-PKOBYXMFSA-N -1 3 390.491 3.566 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@@H]1CCCCO1 ZINC001344662589 1054644711 /nfs/dbraw/zinc/64/47/11/1054644711.db2.gz RNSVRKSGLZVVTR-HRAATJIYSA-N -1 3 399.495 3.535 20 0 GHADHM Cc1nc(-c2nnc(N(CC3CC3)C3CCC3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001344899797 1054792218 /nfs/dbraw/zinc/79/22/18/1054792218.db2.gz ICNPZRAEZSIXIO-UHFFFAOYSA-N -1 3 396.520 3.628 20 0 GHADHM Cc1nc(-c2nnc(N3Cc4cccc(Cl)c4C3)n2CC(C)C)cc(=O)[n-]1 ZINC001345132081 1054915523 /nfs/dbraw/zinc/91/55/23/1054915523.db2.gz KOLBYRZKAILCOO-UHFFFAOYSA-N -1 3 384.871 3.579 20 0 GHADHM CCC[C@@H](NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001319063115 1055017542 /nfs/dbraw/zinc/01/75/42/1055017542.db2.gz OPOMECOCGDHKRK-QGZVFWFLSA-N -1 3 393.484 3.538 20 0 GHADHM O=C([N-]CC1CCN(Cn2cc(-c3ccccc3)oc2=S)CC1)C(F)(F)F ZINC001321202884 1056156050 /nfs/dbraw/zinc/15/60/50/1056156050.db2.gz GOKIHWLJVKEIMN-UHFFFAOYSA-N -1 3 399.438 3.826 20 0 GHADHM COc1c(C(=O)Nc2cc(Br)ccc2[O-])cnn1-c1ccccc1 ZINC001321318534 1056222037 /nfs/dbraw/zinc/22/20/37/1056222037.db2.gz IUVMHMBBNZNFQN-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM CC(=O)Nc1ccc(-c2csc([N-]C(=O)c3c(F)ccnc3F)n2)c(F)c1 ZINC001354034378 1056267874 /nfs/dbraw/zinc/26/78/74/1056267874.db2.gz YNSYMTBFZNKHIQ-UHFFFAOYSA-N -1 3 392.362 3.833 20 0 GHADHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC001321838806 1056414546 /nfs/dbraw/zinc/41/45/46/1056414546.db2.gz CWTNWSCRMWGIMI-MRXNPFEDSA-N -1 3 375.749 3.734 20 0 GHADHM COc1ccc(-c2nc(CNC[C@H](CC(=O)[O-])c3ccncc3)cs2)cc1 ZINC001355417904 1057152085 /nfs/dbraw/zinc/15/20/85/1057152085.db2.gz SQJYALUOGJQUFX-INIZCTEOSA-N -1 3 383.473 3.562 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2cc(C(C)C)ccc2OC)c1 ZINC000848768363 1057290271 /nfs/dbraw/zinc/29/02/71/1057290271.db2.gz ZJIQOIZURIFHJC-SANMLTNESA-N -1 3 376.474 3.678 20 0 GHADHM O=S(=O)([N-]C1(C2CC2)CCOCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001325559013 1057341600 /nfs/dbraw/zinc/34/16/00/1057341600.db2.gz UMQDSUREAFVJQS-UHFFFAOYSA-N -1 3 398.937 3.701 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNc3ncnc4c(C)csc43)c2)[n-]1 ZINC000480511026 1057597419 /nfs/dbraw/zinc/59/74/19/1057597419.db2.gz SHUOGGSWIXYGDE-UHFFFAOYSA-N -1 3 394.460 3.574 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNc3ncnc4c(C)csc43)c2)n[n-]1 ZINC000480511026 1057597422 /nfs/dbraw/zinc/59/74/22/1057597422.db2.gz SHUOGGSWIXYGDE-UHFFFAOYSA-N -1 3 394.460 3.574 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001337871043 1058304973 /nfs/dbraw/zinc/30/49/73/1058304973.db2.gz RPCRSCJWMUXLKE-QGZVFWFLSA-N -1 3 382.842 3.585 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nc4c(cc(Cl)cc4F)s3)C2)n1 ZINC001337958262 1058345203 /nfs/dbraw/zinc/34/52/03/1058345203.db2.gz VSVVTJNMJVQMIB-JTQLQIEISA-N -1 3 379.848 3.584 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc4nc(C)c(C)nc4c3)nc21 ZINC001440000671 1058382105 /nfs/dbraw/zinc/38/21/05/1058382105.db2.gz XTTNLGILDHSDEM-UHFFFAOYSA-N -1 3 389.415 3.552 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001440410721 1058514403 /nfs/dbraw/zinc/51/44/03/1058514403.db2.gz KALFUTAOCVUBCE-HEHGZKQESA-N -1 3 395.459 3.547 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1ccccc1C(F)(F)F ZINC001440964180 1058666294 /nfs/dbraw/zinc/66/62/94/1058666294.db2.gz BLWDHDQMRMDEME-KHPPLWFESA-N -1 3 384.379 3.729 20 0 GHADHM CC[C@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)N1CCc2ccccc2C1 ZINC001441234218 1058729713 /nfs/dbraw/zinc/72/97/13/1058729713.db2.gz CBPLPBZYLUJPTD-QGZVFWFLSA-N -1 3 393.462 3.646 20 0 GHADHM COCCOc1ccc(NC(=O)c2cc([O-])cc(Br)c2)c(C)c1 ZINC001441786405 1058863341 /nfs/dbraw/zinc/86/33/41/1058863341.db2.gz QGICNYYKMRCGIY-UHFFFAOYSA-N -1 3 380.238 3.741 20 0 GHADHM CCc1cccc(C)c1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001441970246 1058897918 /nfs/dbraw/zinc/89/79/18/1058897918.db2.gz MDNNWTKBUKTBFK-UHFFFAOYSA-N -1 3 376.460 3.582 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC001442516169 1058970241 /nfs/dbraw/zinc/97/02/41/1058970241.db2.gz AQUWSRYPKJNHIV-IAGOWNOFSA-N -1 3 396.528 3.768 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001339365278 1059144892 /nfs/dbraw/zinc/14/48/92/1059144892.db2.gz ZYCDWORCODXHNZ-YQVWRLOYSA-N -1 3 390.491 3.542 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c([O-])c1 ZINC001443600880 1059158964 /nfs/dbraw/zinc/15/89/64/1059158964.db2.gz OZMQPSXHGNSHKX-NRFANRHFSA-N -1 3 384.451 3.617 20 0 GHADHM CN1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C2(CCCCC2)C1 ZINC001444764807 1059378542 /nfs/dbraw/zinc/37/85/42/1059378542.db2.gz HRHZQMRIBXLCFM-UHFFFAOYSA-N -1 3 382.460 3.555 20 0 GHADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001445281751 1059491676 /nfs/dbraw/zinc/49/16/76/1059491676.db2.gz CGBNIWFAJCDNRB-UHFFFAOYSA-N -1 3 392.209 3.574 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001445714573 1059598033 /nfs/dbraw/zinc/59/80/33/1059598033.db2.gz SZDTUACGRSOCIQ-LBPRGKRZSA-N -1 3 399.800 3.777 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001340018366 1059622680 /nfs/dbraw/zinc/62/26/80/1059622680.db2.gz GNAMRYQLTVDRKC-KSSFIOAISA-N -1 3 378.480 3.542 20 0 GHADHM CCOc1ccc(CCCC(=O)NCc2ccc([O-])c(F)c2)cc1OCC ZINC001445883780 1059644376 /nfs/dbraw/zinc/64/43/76/1059644376.db2.gz SWCMVTGPVWPHMM-UHFFFAOYSA-N -1 3 375.440 3.968 20 0 GHADHM COc1cc(F)cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC001446018581 1059679765 /nfs/dbraw/zinc/67/97/65/1059679765.db2.gz SETAXAFKYLFOIH-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](O)Cc1ccccc1 ZINC001446499394 1059783503 /nfs/dbraw/zinc/78/35/03/1059783503.db2.gz RZOOHJURMAOFBF-UZUQRXQVSA-N -1 3 375.468 3.705 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC001446499390 1059783586 /nfs/dbraw/zinc/78/35/86/1059783586.db2.gz RZOOHJURMAOFBF-HXOBKFHXSA-N -1 3 375.468 3.705 20 0 GHADHM CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001446785409 1059856196 /nfs/dbraw/zinc/85/61/96/1059856196.db2.gz CGUBVJMUNOFTOO-BQYQJAHWSA-N -1 3 396.487 3.794 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)c3ccco3)c2)c([O-])c1 ZINC001447061972 1059923884 /nfs/dbraw/zinc/92/38/84/1059923884.db2.gz MUHSHBQASHGWIM-UHFFFAOYSA-N -1 3 379.368 3.645 20 0 GHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C)n1-c1ccon1 ZINC001447277804 1059943510 /nfs/dbraw/zinc/94/35/10/1059943510.db2.gz NBNBOPZYIGHEAT-UHFFFAOYSA-N -1 3 376.210 3.803 20 0 GHADHM CC1(C)CO[C@H](CCC(=O)Nc2ccc(I)cc2[O-])C1 ZINC001447624709 1059990096 /nfs/dbraw/zinc/99/00/96/1059990096.db2.gz GYQNDSMYEZMJPC-LLVKDONJSA-N -1 3 389.233 3.531 20 0 GHADHM CO[C@H]1Cc2ccc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)cc2C1 ZINC001447632457 1059992471 /nfs/dbraw/zinc/99/24/71/1059992471.db2.gz XAOPZCBRBCADNR-IBGZPJMESA-N -1 3 390.439 3.738 20 0 GHADHM COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(C(C)C)cc3[O-])C2)cc1F ZINC001448246763 1060143831 /nfs/dbraw/zinc/14/38/31/1060143831.db2.gz XRIUMZOAAIWYBJ-OAHLLOKOSA-N -1 3 386.423 3.586 20 0 GHADHM COc1ccc(C2=NO[C@H](CNC(=O)c3ccc(C(C)C)cc3[O-])C2)cc1F ZINC001448246758 1060144083 /nfs/dbraw/zinc/14/40/83/1060144083.db2.gz XRIUMZOAAIWYBJ-HNNXBMFYSA-N -1 3 386.423 3.586 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(CC1CCC1)C(C)C ZINC001448630628 1060235067 /nfs/dbraw/zinc/23/50/67/1060235067.db2.gz OZNXBQCJVJKRID-UHFFFAOYSA-N -1 3 395.459 3.643 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001450052956 1060512135 /nfs/dbraw/zinc/51/21/35/1060512135.db2.gz XEUPUHXDHUGORX-UHFFFAOYSA-N -1 3 389.184 3.904 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC001452614446 1060973616 /nfs/dbraw/zinc/97/36/16/1060973616.db2.gz PHSFTUOCIUERGO-ZWKOTPCHSA-N -1 3 390.277 3.883 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001452683004 1060984432 /nfs/dbraw/zinc/98/44/32/1060984432.db2.gz AORBTNSVVFKKLR-SFHVURJKSA-N -1 3 391.442 3.934 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@H](CO)Cc2cccc(F)c21 ZINC001452683001 1060984577 /nfs/dbraw/zinc/98/45/77/1060984577.db2.gz AORBTNSVVFKKLR-GOSISDBHSA-N -1 3 391.442 3.934 20 0 GHADHM O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452731450 1060995748 /nfs/dbraw/zinc/99/57/48/1060995748.db2.gz YVPPUDWIKPULEP-YWZLYKJASA-N -1 3 397.862 3.905 20 0 GHADHM Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NCc3nc(C)cc(=O)[n-]3)cc2)n1 ZINC001452742194 1060999047 /nfs/dbraw/zinc/99/90/47/1060999047.db2.gz ZSNKELULEJEFFS-UHFFFAOYSA-N -1 3 399.454 3.582 20 0 GHADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001452914022 1061042674 /nfs/dbraw/zinc/04/26/74/1061042674.db2.gz UGRQSHQRVGSQSR-NRFANRHFSA-N -1 3 386.373 3.749 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC001453549805 1061154178 /nfs/dbraw/zinc/15/41/78/1061154178.db2.gz LQNPVAAAUOXBAU-UHFFFAOYSA-N -1 3 391.258 3.788 20 0 GHADHM CCOC(=O)c1sc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C ZINC001454251925 1061667129 /nfs/dbraw/zinc/66/71/29/1061667129.db2.gz LDTGBRGGJYHPAN-UHFFFAOYSA-N -1 3 388.420 3.775 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)[n-]1 ZINC001454458814 1061788220 /nfs/dbraw/zinc/78/82/20/1061788220.db2.gz DARYRQFMXZMCSA-HAQNSBGRSA-N -1 3 376.482 3.518 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)c[n-]1 ZINC001454458814 1061788250 /nfs/dbraw/zinc/78/82/50/1061788250.db2.gz DARYRQFMXZMCSA-HAQNSBGRSA-N -1 3 376.482 3.518 20 0 GHADHM Cn1c(=O)oc2ccc(CNC(=O)c3cc(Oc4ccccc4)ccc3[O-])cc21 ZINC001454599536 1061873275 /nfs/dbraw/zinc/87/32/75/1061873275.db2.gz UHBOLPALSJALCU-UHFFFAOYSA-N -1 3 390.395 3.559 20 0 GHADHM CCc1cccc(C(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001455137781 1062020902 /nfs/dbraw/zinc/02/09/02/1062020902.db2.gz DBEIKQPMROQYLA-UHFFFAOYSA-N -1 3 396.487 3.831 20 0 GHADHM Cc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)o1 ZINC001455386665 1062120864 /nfs/dbraw/zinc/12/08/64/1062120864.db2.gz QYCHRLMFYSXEAI-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001455666005 1062252190 /nfs/dbraw/zinc/25/21/90/1062252190.db2.gz QRFUZWXPKRNTIO-UHFFFAOYSA-N -1 3 381.476 3.537 20 0 GHADHM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001347495255 1062436292 /nfs/dbraw/zinc/43/62/92/1062436292.db2.gz CTNXKBPBVQXHLG-MBSDFSHPSA-N -1 3 386.536 3.829 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)[n-]1 ZINC001347605055 1062521087 /nfs/dbraw/zinc/52/10/87/1062521087.db2.gz YZACLFIKMGMBOO-UHFFFAOYSA-N -1 3 377.372 3.540 20 0 GHADHM C[C@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001456379871 1062649297 /nfs/dbraw/zinc/64/92/97/1062649297.db2.gz FKKNRTPQGMOFOX-QMMMGPOBSA-N -1 3 399.373 3.501 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385663 1062652714 /nfs/dbraw/zinc/65/27/14/1062652714.db2.gz PRVCAYLDRXILOX-BXKDBHETSA-N -1 3 390.793 3.758 20 0 GHADHM CCOc1cc(Br)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001435476452 1062656147 /nfs/dbraw/zinc/65/61/47/1062656147.db2.gz YQWHMCXDZTWXGT-UHFFFAOYSA-N -1 3 387.233 3.942 20 0 GHADHM CSc1ccc(Br)cc1CCNC(=O)c1ccc(O)cc1[O-] ZINC001456506462 1062722453 /nfs/dbraw/zinc/72/24/53/1062722453.db2.gz MHSOGLZEVGXZMX-UHFFFAOYSA-N -1 3 382.279 3.555 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(COC(C)(C)C)c2)c([O-])c1 ZINC001456564928 1062753142 /nfs/dbraw/zinc/75/31/42/1062753142.db2.gz PQDLPFOEKHYNFA-UHFFFAOYSA-N -1 3 384.476 3.774 20 0 GHADHM C[C@H](CN(C)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC001348109700 1062922743 /nfs/dbraw/zinc/92/27/43/1062922743.db2.gz AYEVNRDTQZRRHD-CQSZACIVSA-N -1 3 399.532 3.555 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1[O-] ZINC001456988073 1062940184 /nfs/dbraw/zinc/94/01/84/1062940184.db2.gz JNTFEXXGLWAWHB-UHFFFAOYSA-N -1 3 396.830 3.711 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)C(=O)c3ccccc3)nc21 ZINC001456992950 1062941282 /nfs/dbraw/zinc/94/12/82/1062941282.db2.gz NRSXVGIZMULODQ-ZDUSSCGKSA-N -1 3 379.416 3.587 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](C)[C@H]3c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001348177183 1062946166 /nfs/dbraw/zinc/94/61/66/1062946166.db2.gz BACRTYZNPMBBER-XOBRGWDASA-N -1 3 390.491 3.747 20 0 GHADHM CC(C)c1ccc(-c2noc(CCC(=O)[N-]OCCOc3ccccc3)n2)cc1 ZINC001457104642 1062978041 /nfs/dbraw/zinc/97/80/41/1062978041.db2.gz HIJAIMRJQLYSNJ-UHFFFAOYSA-N -1 3 395.459 3.919 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CCc3cc(C)ccc3O2)c(C(=O)OCC)[n-]1 ZINC001435886843 1062982185 /nfs/dbraw/zinc/98/21/85/1062982185.db2.gz LMEKELMJISAPBB-MRXNPFEDSA-N -1 3 385.464 3.570 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccccc4)CC3)nc2)n1 ZINC001348519713 1063163524 /nfs/dbraw/zinc/16/35/24/1063163524.db2.gz KXQFYXYUHICGLO-LJQANCHMSA-N -1 3 376.460 3.775 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC001457746392 1063342944 /nfs/dbraw/zinc/34/29/44/1063342944.db2.gz PSTRXTJCOQBDKA-KNQAVFIVSA-N -1 3 387.451 3.606 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(-c3ncco3)cc1C)c2=O ZINC001457827023 1063389981 /nfs/dbraw/zinc/38/99/81/1063389981.db2.gz UMLXWDUNBGARML-UHFFFAOYSA-N -1 3 375.384 3.752 20 0 GHADHM CSc1ccc(Br)cc1CCNC(=O)c1c([O-])cccc1O ZINC001458027784 1063512411 /nfs/dbraw/zinc/51/24/11/1063512411.db2.gz SHWCAOOSBDTDKU-UHFFFAOYSA-N -1 3 382.279 3.555 20 0 GHADHM C[C@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001436578427 1063543821 /nfs/dbraw/zinc/54/38/21/1063543821.db2.gz GZEPOIOJQVGFAG-RNCFNFMXSA-N -1 3 383.192 3.574 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(c2nc3c(cc(Cl)cc3F)s2)CC1 ZINC001458091964 1063558813 /nfs/dbraw/zinc/55/88/13/1063558813.db2.gz CECHVGBWEGVNIB-UHFFFAOYSA-N -1 3 391.855 3.757 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001436664202 1063602380 /nfs/dbraw/zinc/60/23/80/1063602380.db2.gz AIUJRGGONNMTRD-VIFPVBQESA-N -1 3 382.247 3.774 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3sccc3-c3ccccc3)CC2)n1 ZINC001349458564 1063733825 /nfs/dbraw/zinc/73/38/25/1063733825.db2.gz AKDDXAJITLVWJF-UHFFFAOYSA-N -1 3 394.500 3.618 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C/C=C\c3ccc(C(C)C)cc3)CC2)n1 ZINC001349462395 1063736752 /nfs/dbraw/zinc/73/67/52/1063736752.db2.gz XITJKACIHIYZBE-PLNGDYQASA-N -1 3 394.519 3.803 20 0 GHADHM CC(C)Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001349873055 1063931815 /nfs/dbraw/zinc/93/18/15/1063931815.db2.gz FMVXICDZTVBFHO-DEOSSOPVSA-N -1 3 394.515 3.734 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCCCC1 ZINC001458790648 1063938534 /nfs/dbraw/zinc/93/85/34/1063938534.db2.gz SCFQHBJCICHOTK-CQSZACIVSA-N -1 3 398.544 3.991 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(Cl)cc2OC)c(C(=O)OCC)[n-]1 ZINC001458952877 1063967448 /nfs/dbraw/zinc/96/74/48/1063967448.db2.gz JTJDXCNYSLJCAG-UHFFFAOYSA-N -1 3 379.844 3.843 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](CC)OC2CCCCC2)c(C(=O)OCC)[n-]1 ZINC001458957913 1063968271 /nfs/dbraw/zinc/96/82/71/1063968271.db2.gz XDPMZUQCUCCUIK-OAHLLOKOSA-N -1 3 379.501 3.995 20 0 GHADHM Cc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc(C)c1OC(F)F ZINC001350612013 1064141639 /nfs/dbraw/zinc/14/16/39/1064141639.db2.gz IFRFFIMHMNFQKJ-OLZOCXBDSA-N -1 3 381.341 3.990 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1csnc1-c1ccccc1)OC ZINC001463375581 1064294588 /nfs/dbraw/zinc/29/45/88/1064294588.db2.gz QMOIFSLHIVKOQL-MRXNPFEDSA-N -1 3 382.551 3.930 20 0 GHADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001463474404 1064387276 /nfs/dbraw/zinc/38/72/76/1064387276.db2.gz REIIZBICALEFCS-CQSZACIVSA-N -1 3 388.411 3.761 20 0 GHADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H](Cc1cccc2ccccc21)C(=O)OCC ZINC001463554935 1064456508 /nfs/dbraw/zinc/45/65/08/1064456508.db2.gz JSQFYQBYJFFIIK-OXJNMPFZSA-N -1 3 391.533 3.670 20 0 GHADHM CC(C)SCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463668247 1064540382 /nfs/dbraw/zinc/54/03/82/1064540382.db2.gz KEYAHJMTTPJFCH-UHFFFAOYSA-N -1 3 376.956 3.883 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[n-]1 ZINC001351653879 1064551651 /nfs/dbraw/zinc/55/16/51/1064551651.db2.gz PQNBKQLFOSOEIF-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c[n-]1 ZINC001351653879 1064551665 /nfs/dbraw/zinc/55/16/65/1064551665.db2.gz PQNBKQLFOSOEIF-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM O=C(NCC[C@H]1CCC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001351858841 1064645001 /nfs/dbraw/zinc/64/50/01/1064645001.db2.gz WISVERPHNOOFLK-SNVBAGLBSA-N -1 3 399.235 3.846 20 0 GHADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001463817939 1064645184 /nfs/dbraw/zinc/64/51/84/1064645184.db2.gz KRMROYDVAVXBRA-UHFFFAOYSA-N -1 3 382.551 3.850 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H](O)C(C)C ZINC001463881705 1064691120 /nfs/dbraw/zinc/69/11/20/1064691120.db2.gz GWWZTMZYJJUXRM-UKRRQHHQSA-N -1 3 388.942 3.537 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccccc1F)c1c(Cl)cccc1Cl ZINC001463945353 1064733272 /nfs/dbraw/zinc/73/32/72/1064733272.db2.gz FTGDRZFAXRTFLQ-AWEZNQCLSA-N -1 3 378.252 3.535 20 0 GHADHM Cc1ccc(OCc2nc(CNC[C@@H](CC(=O)[O-])c3ccncc3)cs2)cc1 ZINC001352147508 1064882849 /nfs/dbraw/zinc/88/28/49/1064882849.db2.gz QIVATRRULBVVJL-QGZVFWFLSA-N -1 3 397.500 3.774 20 0 GHADHM COc1ccc(OC(F)F)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001464227032 1064917251 /nfs/dbraw/zinc/91/72/51/1064917251.db2.gz UIMOQSRMPOPFCU-UHFFFAOYSA-N -1 3 396.296 3.669 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]Cc1nc(-c2ccccn2)cs1 ZINC001464289510 1064943736 /nfs/dbraw/zinc/94/37/36/1064943736.db2.gz FVWMHAYSJOZXBV-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001464298418 1064946884 /nfs/dbraw/zinc/94/68/84/1064946884.db2.gz WOVZTPBQDLPLNP-CYBMUJFWSA-N -1 3 380.293 3.560 20 0 GHADHM Cc1cccc(C)c1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001352511331 1065091764 /nfs/dbraw/zinc/09/17/64/1065091764.db2.gz VHMRTNYFLKBWBF-UHFFFAOYSA-N -1 3 379.453 3.739 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CC(C)(C)OC2(C)C)c(-c2ccccc2)s1 ZINC001464626781 1065119776 /nfs/dbraw/zinc/11/97/76/1065119776.db2.gz CQRWPPBIJQXVFC-OAHLLOKOSA-N -1 3 394.562 3.991 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c(C)c1 ZINC001464631028 1065121465 /nfs/dbraw/zinc/12/14/65/1065121465.db2.gz NAFUGLCZBGJCLQ-UHFFFAOYSA-N -1 3 391.449 3.837 20 0 GHADHM CC(C)(CNC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(C(F)(F)F)c1 ZINC001464761010 1065197131 /nfs/dbraw/zinc/19/71/31/1065197131.db2.gz HTUOXDFLMPETAI-UHFFFAOYSA-N -1 3 380.345 3.823 20 0 GHADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3[n-]cnc3C(F)(F)F)n2)cc1 ZINC001464847606 1065242745 /nfs/dbraw/zinc/24/27/45/1065242745.db2.gz REBIDTVUCCIYND-UHFFFAOYSA-N -1 3 395.366 3.763 20 0 GHADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3nc[n-]c3C(F)(F)F)n2)cc1 ZINC001464847606 1065242752 /nfs/dbraw/zinc/24/27/52/1065242752.db2.gz REBIDTVUCCIYND-UHFFFAOYSA-N -1 3 395.366 3.763 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)c1 ZINC001464849400 1065243853 /nfs/dbraw/zinc/24/38/53/1065243853.db2.gz WSBSDOHSFYFZPO-UHFFFAOYSA-N -1 3 380.328 3.584 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c(F)c1 ZINC001200152286 1065386623 /nfs/dbraw/zinc/38/66/23/1065386623.db2.gz YWQJPHHWITZBCC-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC001465374828 1065574134 /nfs/dbraw/zinc/57/41/34/1065574134.db2.gz JSPGDADSBOXULC-OAHLLOKOSA-N -1 3 390.892 3.693 20 0 GHADHM Cc1ccc(CNC(=S)Nc2ccc([O-])c(I)c2)cc1 ZINC001200313118 1065895918 /nfs/dbraw/zinc/89/59/18/1065895918.db2.gz FPTIOVNOKAIXLS-UHFFFAOYSA-N -1 3 398.269 3.792 20 0 GHADHM Cc1ccc(CNC(=S)Nc2cc(I)ccc2[O-])cc1 ZINC001200319709 1065911802 /nfs/dbraw/zinc/91/18/02/1065911802.db2.gz WARSTAFOVPWSAS-UHFFFAOYSA-N -1 3 398.269 3.792 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c([O-])c1 ZINC001465909995 1065918211 /nfs/dbraw/zinc/91/82/11/1065918211.db2.gz RQBYMQBBSNOBCY-CYBMUJFWSA-N -1 3 398.286 3.992 20 0 GHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001353701700 1066151449 /nfs/dbraw/zinc/15/14/49/1066151449.db2.gz VZFXXLXXPWAETE-UWVGGRQHSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001466445319 1066158615 /nfs/dbraw/zinc/15/86/15/1066158615.db2.gz OBVSCYFZLZCXBY-AWEZNQCLSA-N -1 3 379.243 3.543 20 0 GHADHM O=C(Nc1cccnc1N1CCCCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001466458360 1066163774 /nfs/dbraw/zinc/16/37/74/1066163774.db2.gz BVXGMYFIADCDFO-UHFFFAOYSA-N -1 3 382.851 3.819 20 0 GHADHM COC[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc(F)c(F)c1 ZINC001466522846 1066178986 /nfs/dbraw/zinc/17/89/86/1066178986.db2.gz YQXWHMQAWKVAGP-MRXNPFEDSA-N -1 3 392.789 3.577 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Br)cc12)[N-]OCc1ccc(F)cc1 ZINC001466781850 1066311876 /nfs/dbraw/zinc/31/18/76/1066311876.db2.gz KUKBDLQCJBYOTH-UHFFFAOYSA-N -1 3 377.213 3.860 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccsc1 ZINC001467360316 1067249880 /nfs/dbraw/zinc/24/98/80/1067249880.db2.gz APSSBAPHYFVWPJ-FQEVSTJZSA-N -1 3 395.480 3.883 20 0 GHADHM COc1nsc(C(=O)[N-]c2ncc(-c3cccnc3)s2)c1Br ZINC001467915649 1067526129 /nfs/dbraw/zinc/52/61/29/1067526129.db2.gz ROAVPPXACFECET-UHFFFAOYSA-N -1 3 397.279 3.685 20 0 GHADHM CCC[C@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)C(C)(C)C ZINC001468164031 1067616061 /nfs/dbraw/zinc/61/60/61/1067616061.db2.gz RXGVOKLQSJCJFN-HNNXBMFYSA-N -1 3 397.475 3.937 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccc(F)cc1 ZINC001468650313 1067806632 /nfs/dbraw/zinc/80/66/32/1067806632.db2.gz LKJRFDLJEPSYMA-LJQANCHMSA-N -1 3 396.418 3.637 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccnc(OCC(F)(F)F)c3)c[n-]c12 ZINC001468658021 1067809739 /nfs/dbraw/zinc/80/97/39/1067809739.db2.gz GTQMHPMQUXHRNI-UHFFFAOYSA-N -1 3 395.312 3.564 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@H](C2CCC2)C1 ZINC001469002922 1067948961 /nfs/dbraw/zinc/94/89/61/1067948961.db2.gz JOKPEEALVISRDO-LBPRGKRZSA-N -1 3 380.366 3.689 20 0 GHADHM O=C(OCc1ccccc1)c1ccc(C(=O)N2CCOc3cc(F)c(F)cc32)[n-]1 ZINC001469733134 1068344750 /nfs/dbraw/zinc/34/47/50/1068344750.db2.gz BYNBBPWOJGJRPT-UHFFFAOYSA-N -1 3 398.365 3.689 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 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CN1CCN(c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)c3cnccc32)CC1 ZINC001472388533 1073461508 /nfs/dbraw/zinc/46/15/08/1073461508.db2.gz OAGYTBFHAPZDGH-UHFFFAOYSA-N -1 3 396.878 3.598 20 0 GHADHM O=C(Nc1cccc(CCCc2ccccc2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472500725 1073517129 /nfs/dbraw/zinc/51/71/29/1073517129.db2.gz FVBPLLQALNHUBL-UHFFFAOYSA-N -1 3 384.435 3.998 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472504992 1073519436 /nfs/dbraw/zinc/51/94/36/1073519436.db2.gz MRPPXZKZGLZWOB-HXUWFJFHSA-N -1 3 391.377 3.721 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001472531255 1073533543 /nfs/dbraw/zinc/53/35/43/1073533543.db2.gz MNHUIYZRDGEMJP-ZDUSSCGKSA-N -1 3 388.398 3.867 20 0 GHADHM CCCCOc1ccc(C(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC001472617745 1073578756 /nfs/dbraw/zinc/57/87/56/1073578756.db2.gz OQVORDBIEUKUPU-MLGOLLRUSA-N -1 3 375.387 3.801 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3nc4c(cc(Cl)cc4F)s3)C2)n1 ZINC001472877583 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GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001474778944 1074557711 /nfs/dbraw/zinc/55/77/11/1074557711.db2.gz IZNFHASIHQLPSQ-MBNYWOFBSA-N -1 3 381.519 3.791 20 0 GHADHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC001474886665 1074612952 /nfs/dbraw/zinc/61/29/52/1074612952.db2.gz PGDVUJMUKAYVRG-LBPRGKRZSA-N -1 3 391.386 3.899 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(O[C@H](C)CC(C)C)c2)cc1F ZINC001474975406 1074662421 /nfs/dbraw/zinc/66/24/21/1074662421.db2.gz MCINGPNAQIKMCF-CQSZACIVSA-N -1 3 398.475 3.960 20 0 GHADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)o1 ZINC001475045952 1074707643 /nfs/dbraw/zinc/70/76/43/1074707643.db2.gz XCSMLNVKXKIZGH-UHFFFAOYSA-N -1 3 393.848 3.741 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)c1noc(-c2ccccc2)n1 ZINC001475099426 1074736818 /nfs/dbraw/zinc/73/68/18/1074736818.db2.gz OSVMVTVHHBLVCZ-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC001475156415 1074761844 /nfs/dbraw/zinc/76/18/44/1074761844.db2.gz JYPZPMXGMCVJQA-KRWDZBQOSA-N -1 3 391.855 3.645 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC(C)C)cc1)c1ccc(F)c(C)c1 ZINC001475172918 1074768463 /nfs/dbraw/zinc/76/84/63/1074768463.db2.gz LEOZWSVCWHULKN-LJQANCHMSA-N -1 3 393.480 3.525 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1cccc(Br)c1F ZINC001475240005 1074800375 /nfs/dbraw/zinc/80/03/75/1074800375.db2.gz ZZMUESLATCTULT-AAEUAGOBSA-N -1 3 388.233 3.562 20 0 GHADHM CCOC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC001475254028 1074806530 /nfs/dbraw/zinc/80/65/30/1074806530.db2.gz CPBSSXDHLCOPLN-AWEZNQCLSA-N -1 3 388.942 3.803 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC1 ZINC001475379573 1074854360 /nfs/dbraw/zinc/85/43/60/1074854360.db2.gz WFYALEMBPDYQAW-LBPRGKRZSA-N -1 3 381.723 3.745 20 0 GHADHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001475489918 1074893321 /nfs/dbraw/zinc/89/33/21/1074893321.db2.gz SFEAYLXPRWQBCT-NSHDSACASA-N -1 3 384.851 3.510 20 0 GHADHM O=S(=O)([N-][C@@H](C(F)F)C1CCCCC1)c1cccc2c1OC(F)(F)O2 ZINC001475512544 1074901723 /nfs/dbraw/zinc/90/17/23/1074901723.db2.gz QKMMNLMQCIKQLA-GFCCVEGCSA-N -1 3 383.363 3.500 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)CO2)c(-c2ccccc2)s1 ZINC001475625722 1074929887 /nfs/dbraw/zinc/92/98/87/1074929887.db2.gz JJHSAPQRZRYMCI-OAHLLOKOSA-N -1 3 380.535 3.602 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC001475669663 1074996696 /nfs/dbraw/zinc/99/66/96/1074996696.db2.gz QPCKYMAPWXWHGJ-HOCLYGCPSA-N -1 3 389.370 3.597 20 0 GHADHM COc1cc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc2ccccc21 ZINC001475758706 1075015749 /nfs/dbraw/zinc/01/57/49/1075015749.db2.gz XTZRUPVDMSCLCF-ZJWNCGCPSA-N -1 3 398.550 3.640 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(F)c1)c1csnc1-c1ccccc1 ZINC001475762742 1075016676 /nfs/dbraw/zinc/01/66/76/1075016676.db2.gz PHFPCUHXNFKDQA-UHFFFAOYSA-N -1 3 392.477 3.697 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(C3CCCCC3)CC2)cc1OC ZINC001476020893 1075069982 /nfs/dbraw/zinc/06/99/82/1075069982.db2.gz MTBDMEABJNKBAM-UHFFFAOYSA-N -1 3 395.525 3.691 20 0 GHADHM O=C([O-])c1ccc(COc2ccccc2CN[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC001602354573 1126227055 /nfs/dbraw/zinc/22/70/55/1126227055.db2.gz HLJKNGBECOWHOO-FYYLOGMGSA-N -1 3 389.451 3.712 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[n-]1 ZINC000497610807 564872166 /nfs/dbraw/zinc/87/21/66/564872166.db2.gz HWBCOFNIAZXUSX-UHFFFAOYSA-N -1 3 379.203 3.546 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335722 598838958 /nfs/dbraw/zinc/83/89/58/598838958.db2.gz VVLAHFMRTJBZFQ-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335722 598838960 /nfs/dbraw/zinc/83/89/60/598838960.db2.gz VVLAHFMRTJBZFQ-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000738230505 598879137 /nfs/dbraw/zinc/87/91/37/598879137.db2.gz FHTXHAZJZYCETA-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000738230505 598879138 /nfs/dbraw/zinc/87/91/38/598879138.db2.gz FHTXHAZJZYCETA-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1csc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897507 598884723 /nfs/dbraw/zinc/88/47/23/598884723.db2.gz QXQKNOHLUCAGTO-KPZWWZAWSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1csc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897507 598884724 /nfs/dbraw/zinc/88/47/24/598884724.db2.gz QXQKNOHLUCAGTO-KPZWWZAWSA-N -1 3 393.472 3.646 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000735831837 598889883 /nfs/dbraw/zinc/88/98/83/598889883.db2.gz WBAIHMHVRANNLV-MNZLEMJZSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000735831837 598889885 /nfs/dbraw/zinc/88/98/85/598889885.db2.gz WBAIHMHVRANNLV-MNZLEMJZSA-N -1 3 384.528 3.859 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738158459 598889966 /nfs/dbraw/zinc/88/99/66/598889966.db2.gz HBGUGMOILZIFRO-UHFFFAOYSA-N -1 3 378.436 3.970 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738158459 598889967 /nfs/dbraw/zinc/88/99/67/598889967.db2.gz HBGUGMOILZIFRO-UHFFFAOYSA-N -1 3 378.436 3.970 20 0 GHADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736262115 598907353 /nfs/dbraw/zinc/90/73/53/598907353.db2.gz MJYKCUOPYLVQPU-DLBZAZTESA-N -1 3 385.512 3.748 20 0 GHADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736262115 598907355 /nfs/dbraw/zinc/90/73/55/598907355.db2.gz MJYKCUOPYLVQPU-DLBZAZTESA-N -1 3 385.512 3.748 20 0 GHADHM O=C(NC1CCCCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738024458 598926838 /nfs/dbraw/zinc/92/68/38/598926838.db2.gz JVBDJUWOCZVQCL-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(NC1CCCCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738024458 598926840 /nfs/dbraw/zinc/92/68/40/598926840.db2.gz JVBDJUWOCZVQCL-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736225628 598930587 /nfs/dbraw/zinc/93/05/87/598930587.db2.gz QTDTUXCCLUEXFU-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736225628 598930588 /nfs/dbraw/zinc/93/05/88/598930588.db2.gz QTDTUXCCLUEXFU-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1c([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccc(F)cc1 ZINC000737209484 598937333 /nfs/dbraw/zinc/93/73/33/598937333.db2.gz QVTHAJGRSFNTQU-JTQLQIEISA-N -1 3 398.833 3.721 20 0 GHADHM Cc1c([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccc(F)cc1 ZINC000737209484 598937334 /nfs/dbraw/zinc/93/73/34/598937334.db2.gz QVTHAJGRSFNTQU-JTQLQIEISA-N -1 3 398.833 3.721 20 0 GHADHM Cc1ccc(CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737337386 598942680 /nfs/dbraw/zinc/94/26/80/598942680.db2.gz MGWAJEMAUBPERY-UHFFFAOYSA-N -1 3 375.476 3.607 20 0 GHADHM Cc1ccc(CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737337386 598942681 /nfs/dbraw/zinc/94/26/81/598942681.db2.gz MGWAJEMAUBPERY-UHFFFAOYSA-N -1 3 375.476 3.607 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736473489 598987946 /nfs/dbraw/zinc/98/79/46/598987946.db2.gz QWNCXHGIEUZLFT-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736473489 598987948 /nfs/dbraw/zinc/98/79/48/598987948.db2.gz QWNCXHGIEUZLFT-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736268252 599007548 /nfs/dbraw/zinc/00/75/48/599007548.db2.gz RRGNLVOZRHIBBD-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1cc(C)cc(C)c1 ZINC000736482235 599013738 /nfs/dbraw/zinc/01/37/38/599013738.db2.gz YQFUVIWEKXVFNY-UHFFFAOYSA-N -1 3 392.507 3.648 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1cc(C)cc(C)c1 ZINC000736482235 599013740 /nfs/dbraw/zinc/01/37/40/599013740.db2.gz YQFUVIWEKXVFNY-UHFFFAOYSA-N -1 3 392.507 3.648 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736360953 599022634 /nfs/dbraw/zinc/02/26/34/599022634.db2.gz DGXQZYUJYVITCC-OAHLLOKOSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736360953 599022636 /nfs/dbraw/zinc/02/26/36/599022636.db2.gz DGXQZYUJYVITCC-OAHLLOKOSA-N -1 3 376.342 3.557 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738191953 599035868 /nfs/dbraw/zinc/03/58/68/599035868.db2.gz ORHFILNMERDVFO-CHWSQXEVSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738191953 599035871 /nfs/dbraw/zinc/03/58/71/599035871.db2.gz ORHFILNMERDVFO-CHWSQXEVSA-N -1 3 389.337 3.508 20 0 GHADHM C[C@@H](OCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736163231 599038295 /nfs/dbraw/zinc/03/82/95/599038295.db2.gz GYRHCHZOCSQKRQ-GFCCVEGCSA-N -1 3 392.385 3.860 20 0 GHADHM C[C@@H](OCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736163231 599038297 /nfs/dbraw/zinc/03/82/97/599038297.db2.gz GYRHCHZOCSQKRQ-GFCCVEGCSA-N -1 3 392.385 3.860 20 0 GHADHM CCN(CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736536674 599039119 /nfs/dbraw/zinc/03/91/19/599039119.db2.gz FJIOMHWRJVSJRO-UHFFFAOYSA-N -1 3 391.401 3.609 20 0 GHADHM CCN(CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736536674 599039122 /nfs/dbraw/zinc/03/91/22/599039122.db2.gz FJIOMHWRJVSJRO-UHFFFAOYSA-N -1 3 391.401 3.609 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820770016 599039576 /nfs/dbraw/zinc/03/95/76/599039576.db2.gz YOEOJLNQKNHHKZ-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820770016 599039578 /nfs/dbraw/zinc/03/95/78/599039578.db2.gz YOEOJLNQKNHHKZ-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736369366 599039642 /nfs/dbraw/zinc/03/96/42/599039642.db2.gz LGMXKVZBBKALEL-ZDUSSCGKSA-N -1 3 378.358 3.852 20 0 GHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736369366 599039643 /nfs/dbraw/zinc/03/96/43/599039643.db2.gz LGMXKVZBBKALEL-ZDUSSCGKSA-N -1 3 378.358 3.852 20 0 GHADHM Fc1ccc(OCCCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737656822 599042646 /nfs/dbraw/zinc/04/26/46/599042646.db2.gz PHMZXRMGUWYPJH-UHFFFAOYSA-N -1 3 396.348 3.691 20 0 GHADHM Fc1ccc(OCCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737656822 599042649 /nfs/dbraw/zinc/04/26/49/599042649.db2.gz PHMZXRMGUWYPJH-UHFFFAOYSA-N -1 3 396.348 3.691 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737390320 599049834 /nfs/dbraw/zinc/04/98/34/599049834.db2.gz PCBQTVRJPRMTNR-GFCCVEGCSA-N -1 3 392.385 3.777 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737390320 599049837 /nfs/dbraw/zinc/04/98/37/599049837.db2.gz PCBQTVRJPRMTNR-GFCCVEGCSA-N -1 3 392.385 3.777 20 0 GHADHM Cc1cccc(C)c1OC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737390324 599049884 /nfs/dbraw/zinc/04/98/84/599049884.db2.gz PCBQTVRJPRMTNR-LBPRGKRZSA-N -1 3 392.385 3.777 20 0 GHADHM Cc1cccc(C)c1OC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737390324 599049887 /nfs/dbraw/zinc/04/98/87/599049887.db2.gz PCBQTVRJPRMTNR-LBPRGKRZSA-N -1 3 392.385 3.777 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H](c2ccccc2)c2cccnc2)n1 ZINC000737634045 599055878 /nfs/dbraw/zinc/05/58/78/599055878.db2.gz XPKGZLMKAOGVBW-MRXNPFEDSA-N -1 3 397.364 3.877 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H](c2ccccc2)c2cccnc2)n1 ZINC000737634045 599055882 /nfs/dbraw/zinc/05/58/82/599055882.db2.gz XPKGZLMKAOGVBW-MRXNPFEDSA-N -1 3 397.364 3.877 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000736193382 599065475 /nfs/dbraw/zinc/06/54/75/599065475.db2.gz QJALRQIKJKIBRG-GHMZBOCLSA-N -1 3 389.431 3.503 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000736193382 599065476 /nfs/dbraw/zinc/06/54/76/599065476.db2.gz QJALRQIKJKIBRG-GHMZBOCLSA-N -1 3 389.431 3.503 20 0 GHADHM Cc1ccnc(-c2ccc(NCCCOc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737437859 599066587 /nfs/dbraw/zinc/06/65/87/599066587.db2.gz RYQHVXHGMUQFJI-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c[nH]c21 ZINC000737411433 599072045 /nfs/dbraw/zinc/07/20/45/599072045.db2.gz YFLFIPMFQKYSIQ-UHFFFAOYSA-N -1 3 391.479 3.784 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c[nH]c21 ZINC000737411433 599072048 /nfs/dbraw/zinc/07/20/48/599072048.db2.gz YFLFIPMFQKYSIQ-UHFFFAOYSA-N -1 3 391.479 3.784 20 0 GHADHM C[C@H](C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccco1 ZINC000735546623 599076538 /nfs/dbraw/zinc/07/65/38/599076538.db2.gz FRJLQGSLXHFEEX-LBPRGKRZSA-N -1 3 379.445 3.608 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000736267612 599082332 /nfs/dbraw/zinc/08/23/32/599082332.db2.gz UHNZRVBPHHSWNK-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000736267612 599082335 /nfs/dbraw/zinc/08/23/35/599082335.db2.gz UHNZRVBPHHSWNK-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000736685044 599085234 /nfs/dbraw/zinc/08/52/34/599085234.db2.gz JZJWEIZIEXZUBJ-WMLDXEAASA-N -1 3 395.463 3.543 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000736685044 599085238 /nfs/dbraw/zinc/08/52/38/599085238.db2.gz JZJWEIZIEXZUBJ-WMLDXEAASA-N -1 3 395.463 3.543 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735722686 599103122 /nfs/dbraw/zinc/10/31/22/599103122.db2.gz VMJZROYQROJUKR-QGZVFWFLSA-N -1 3 384.871 3.717 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735722686 599103123 /nfs/dbraw/zinc/10/31/23/599103123.db2.gz VMJZROYQROJUKR-QGZVFWFLSA-N -1 3 384.871 3.717 20 0 GHADHM C[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000736112830 599108025 /nfs/dbraw/zinc/10/80/25/599108025.db2.gz VFEGHYMUDMJPAP-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000736112830 599108028 /nfs/dbraw/zinc/10/80/28/599108028.db2.gz VFEGHYMUDMJPAP-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ncccc21 ZINC000736189175 599109081 /nfs/dbraw/zinc/10/90/81/599109081.db2.gz BEDJNITXHVMDCO-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ncccc21 ZINC000736189175 599109083 /nfs/dbraw/zinc/10/90/83/599109083.db2.gz BEDJNITXHVMDCO-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1cnn(-c2ccccc2)c1 ZINC000737408145 599121852 /nfs/dbraw/zinc/12/18/52/599121852.db2.gz GIMXRUMHXKXDFF-UHFFFAOYSA-N -1 3 396.458 3.545 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1cnn(-c2ccccc2)c1 ZINC000737408145 599121854 /nfs/dbraw/zinc/12/18/54/599121854.db2.gz GIMXRUMHXKXDFF-UHFFFAOYSA-N -1 3 396.458 3.545 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccc(OCC(F)(F)F)nc1 ZINC000822748452 607258960 /nfs/dbraw/zinc/25/89/60/607258960.db2.gz ZGGBYOKYGRHSID-UHFFFAOYSA-N -1 3 385.346 3.634 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccc(OCC(F)(F)F)nc1 ZINC000822748452 607258961 /nfs/dbraw/zinc/25/89/61/607258961.db2.gz ZGGBYOKYGRHSID-UHFFFAOYSA-N -1 3 385.346 3.634 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1SCCc2sccc21 ZINC000821099227 599140910 /nfs/dbraw/zinc/14/09/10/599140910.db2.gz CFYAJISQIKVJPM-QGZVFWFLSA-N -1 3 399.545 3.697 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1SCCc2sccc21 ZINC000821099227 599140912 /nfs/dbraw/zinc/14/09/12/599140912.db2.gz CFYAJISQIKVJPM-QGZVFWFLSA-N -1 3 399.545 3.697 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(C)c1C ZINC000736635846 599144909 /nfs/dbraw/zinc/14/49/09/599144909.db2.gz HWOAGWDAENPHNU-CQSZACIVSA-N -1 3 380.452 3.765 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(C)c1C ZINC000736635846 599144910 /nfs/dbraw/zinc/14/49/10/599144910.db2.gz HWOAGWDAENPHNU-CQSZACIVSA-N -1 3 380.452 3.765 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1SCCc2ccccc21 ZINC000820117300 599146308 /nfs/dbraw/zinc/14/63/08/599146308.db2.gz ZVBLVPBDTGPKSQ-IBGZPJMESA-N -1 3 393.516 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1SCCc2ccccc21 ZINC000820117300 599146311 /nfs/dbraw/zinc/14/63/11/599146311.db2.gz ZVBLVPBDTGPKSQ-IBGZPJMESA-N -1 3 393.516 3.634 20 0 GHADHM CC(=O)CCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735457718 599148780 /nfs/dbraw/zinc/14/87/80/599148780.db2.gz CKKJVYDSTQYJMG-UHFFFAOYSA-N -1 3 396.472 3.685 20 0 GHADHM CC(=O)CCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735457718 599148782 /nfs/dbraw/zinc/14/87/82/599148782.db2.gz CKKJVYDSTQYJMG-UHFFFAOYSA-N -1 3 396.472 3.685 20 0 GHADHM Clc1ccc(Cl)c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737573606 599158141 /nfs/dbraw/zinc/15/81/41/599158141.db2.gz AGYAQXIQEUBUBA-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(Cl)c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737573606 599158142 /nfs/dbraw/zinc/15/81/42/599158142.db2.gz AGYAQXIQEUBUBA-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818659 599159883 /nfs/dbraw/zinc/15/98/83/599159883.db2.gz QLCQOZUYMZVOTO-HOTGVXAUSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818659 599159884 /nfs/dbraw/zinc/15/98/84/599159884.db2.gz QLCQOZUYMZVOTO-HOTGVXAUSA-N -1 3 397.429 3.938 20 0 GHADHM Clc1cccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1Cl ZINC000737573278 599159991 /nfs/dbraw/zinc/15/99/91/599159991.db2.gz FMEZBIMHZCEDII-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1Cl ZINC000737573278 599159993 /nfs/dbraw/zinc/15/99/93/599159993.db2.gz FMEZBIMHZCEDII-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC(C)c1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc2n1 ZINC000820187538 599161359 /nfs/dbraw/zinc/16/13/59/599161359.db2.gz GEVOFXCGISWZMM-UHFFFAOYSA-N -1 3 390.422 3.607 20 0 GHADHM CC(C)c1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc2n1 ZINC000820187538 599161360 /nfs/dbraw/zinc/16/13/60/599161360.db2.gz GEVOFXCGISWZMM-UHFFFAOYSA-N -1 3 390.422 3.607 20 0 GHADHM Cc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc(C)c1Cl ZINC000737280899 599164079 /nfs/dbraw/zinc/16/40/79/599164079.db2.gz UYQIZOOZWNMVSR-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM Cc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc(C)c1Cl ZINC000737280899 599164082 /nfs/dbraw/zinc/16/40/82/599164082.db2.gz UYQIZOOZWNMVSR-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM CCCn1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000821148935 599160446 /nfs/dbraw/zinc/16/04/46/599160446.db2.gz QGPRXQVZHUJXNJ-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccco1 ZINC000737833559 599165667 /nfs/dbraw/zinc/16/56/67/599165667.db2.gz WFWZXVUCTMRQLA-GOSISDBHSA-N -1 3 395.463 3.763 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccco1 ZINC000737833559 599165670 /nfs/dbraw/zinc/16/56/70/599165670.db2.gz WFWZXVUCTMRQLA-GOSISDBHSA-N -1 3 395.463 3.763 20 0 GHADHM Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000737351112 599169136 /nfs/dbraw/zinc/16/91/36/599169136.db2.gz KAMWOCLPINNMJX-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000737351112 599169140 /nfs/dbraw/zinc/16/91/40/599169140.db2.gz KAMWOCLPINNMJX-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM COc1ccc(-c2cnc(CSc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000737055566 599170947 /nfs/dbraw/zinc/17/09/47/599170947.db2.gz HFUNMJJUESUYOL-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM COc1ccc(-c2cnc(CSc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000737055566 599170949 /nfs/dbraw/zinc/17/09/49/599170949.db2.gz HFUNMJJUESUYOL-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000735446818 599178907 /nfs/dbraw/zinc/17/89/07/599178907.db2.gz GPJBOLUJPJENRB-HJWRWDBZSA-N -1 3 379.367 3.989 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000735446818 599178909 /nfs/dbraw/zinc/17/89/09/599178909.db2.gz GPJBOLUJPJENRB-HJWRWDBZSA-N -1 3 379.367 3.989 20 0 GHADHM CCCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736416114 599180754 /nfs/dbraw/zinc/18/07/54/599180754.db2.gz KRNHZTBGDBKLOK-UHFFFAOYSA-N -1 3 385.497 3.614 20 0 GHADHM CCCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736416114 599180756 /nfs/dbraw/zinc/18/07/56/599180756.db2.gz KRNHZTBGDBKLOK-UHFFFAOYSA-N -1 3 385.497 3.614 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208068 599181364 /nfs/dbraw/zinc/18/13/64/599181364.db2.gz JYOPSKOYHDRZTB-NWDGAFQWSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208068 599181365 /nfs/dbraw/zinc/18/13/65/599181365.db2.gz JYOPSKOYHDRZTB-NWDGAFQWSA-N -1 3 380.260 3.977 20 0 GHADHM CCCc1ncc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)s1 ZINC000736494399 599184666 /nfs/dbraw/zinc/18/46/66/599184666.db2.gz APKKJAMGMWXDGL-UHFFFAOYSA-N -1 3 394.460 3.716 20 0 GHADHM CCCc1ncc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)s1 ZINC000736494399 599184667 /nfs/dbraw/zinc/18/46/67/599184667.db2.gz APKKJAMGMWXDGL-UHFFFAOYSA-N -1 3 394.460 3.716 20 0 GHADHM CCCCCC[C@H](C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736447840 599188984 /nfs/dbraw/zinc/18/89/84/599188984.db2.gz UYVZFWZDGDLDJA-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM Cc1sc(NC(=O)c2cc(C)ccc2N2CCCC2)c(-c2nnn[n-]2)c1C ZINC000737350396 599195822 /nfs/dbraw/zinc/19/58/22/599195822.db2.gz GKCQQQGAHINZIX-UHFFFAOYSA-N -1 3 382.493 3.706 20 0 GHADHM Cc1sc(NC(=O)c2cc(C)ccc2N2CCCC2)c(-c2nn[n-]n2)c1C ZINC000737350396 599195824 /nfs/dbraw/zinc/19/58/24/599195824.db2.gz GKCQQQGAHINZIX-UHFFFAOYSA-N -1 3 382.493 3.706 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000736123851 599194888 /nfs/dbraw/zinc/19/48/88/599194888.db2.gz RESRGKUQDVQUQZ-NSHDSACASA-N -1 3 383.839 3.841 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000736123851 599194890 /nfs/dbraw/zinc/19/48/90/599194890.db2.gz RESRGKUQDVQUQZ-NSHDSACASA-N -1 3 383.839 3.841 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737216317 599208874 /nfs/dbraw/zinc/20/88/74/599208874.db2.gz QSIHVGWJIREIPA-UHFFFAOYSA-N -1 3 381.505 3.998 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737216317 599208875 /nfs/dbraw/zinc/20/88/75/599208875.db2.gz QSIHVGWJIREIPA-UHFFFAOYSA-N -1 3 381.505 3.998 20 0 GHADHM O=C(c1ccncc1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738290812 599211929 /nfs/dbraw/zinc/21/19/29/599211929.db2.gz VCBJEQQWWZKUOR-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccncc1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738290812 599211930 /nfs/dbraw/zinc/21/19/30/599211930.db2.gz VCBJEQQWWZKUOR-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923050 599212102 /nfs/dbraw/zinc/21/21/02/599212102.db2.gz JKBBRRDMTSNRGP-MRXNPFEDSA-N -1 3 392.507 3.983 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923050 599212103 /nfs/dbraw/zinc/21/21/03/599212103.db2.gz JKBBRRDMTSNRGP-MRXNPFEDSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328080 599218544 /nfs/dbraw/zinc/21/85/44/599218544.db2.gz VBIICURZBFOHCS-JKSUJKDBSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328080 599218548 /nfs/dbraw/zinc/21/85/48/599218548.db2.gz VBIICURZBFOHCS-JKSUJKDBSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736402943 599224150 /nfs/dbraw/zinc/22/41/50/599224150.db2.gz QRDGJJJIMZQMGF-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821668658 599225641 /nfs/dbraw/zinc/22/56/41/599225641.db2.gz CQBQHFNDMOWJQA-UHFFFAOYSA-N -1 3 380.429 3.833 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000821668658 599225644 /nfs/dbraw/zinc/22/56/44/599225644.db2.gz CQBQHFNDMOWJQA-UHFFFAOYSA-N -1 3 380.429 3.833 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1Br ZINC000822778158 599232332 /nfs/dbraw/zinc/23/23/32/599232332.db2.gz DTUSBNVGNGQKDE-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1Br ZINC000822778158 599232335 /nfs/dbraw/zinc/23/23/35/599232335.db2.gz DTUSBNVGNGQKDE-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380060 599234937 /nfs/dbraw/zinc/23/49/37/599234937.db2.gz KNHRQVQIMGMTJN-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380060 599234938 /nfs/dbraw/zinc/23/49/38/599234938.db2.gz KNHRQVQIMGMTJN-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825668111 607834894 /nfs/dbraw/zinc/83/48/94/607834894.db2.gz BBXYBYSSFAZYQC-NEPJUHHUSA-N -1 3 386.308 3.578 20 0 GHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825668111 607834895 /nfs/dbraw/zinc/83/48/95/607834895.db2.gz BBXYBYSSFAZYQC-NEPJUHHUSA-N -1 3 386.308 3.578 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823359508 599248617 /nfs/dbraw/zinc/24/86/17/599248617.db2.gz PAQVWXAYXORONS-AWEZNQCLSA-N -1 3 380.477 3.513 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823359508 599248619 /nfs/dbraw/zinc/24/86/19/599248619.db2.gz PAQVWXAYXORONS-AWEZNQCLSA-N -1 3 380.477 3.513 20 0 GHADHM CCOc1ccc(OCC)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821427558 599249898 /nfs/dbraw/zinc/24/98/98/599249898.db2.gz VGJVNXZFSPRQBW-ZDUSSCGKSA-N -1 3 396.451 3.547 20 0 GHADHM CCOc1ccc(OCC)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821427558 599249901 /nfs/dbraw/zinc/24/99/01/599249901.db2.gz VGJVNXZFSPRQBW-ZDUSSCGKSA-N -1 3 396.451 3.547 20 0 GHADHM C[C@H](NC(=O)Nc1cc(Cl)cc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820374660 599251462 /nfs/dbraw/zinc/25/14/62/599251462.db2.gz PROXLKSJIQAHPW-NSHDSACASA-N -1 3 393.838 3.951 20 0 GHADHM C[C@H](NC(=O)Nc1cc(Cl)cc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820374660 599251464 /nfs/dbraw/zinc/25/14/64/599251464.db2.gz PROXLKSJIQAHPW-NSHDSACASA-N -1 3 393.838 3.951 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820869331 599252561 /nfs/dbraw/zinc/25/25/61/599252561.db2.gz GPRGSVLQKNMVCT-QWHCGFSZSA-N -1 3 399.524 3.860 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820869331 599252563 /nfs/dbraw/zinc/25/25/63/599252563.db2.gz GPRGSVLQKNMVCT-QWHCGFSZSA-N -1 3 399.524 3.860 20 0 GHADHM FC(F)(F)c1cc(Oc2ccccc2-c2nnn[n-]2)nc(-c2ccncc2)n1 ZINC000737632172 599253069 /nfs/dbraw/zinc/25/30/69/599253069.db2.gz KXMHWPGTKDUTBF-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM FC(F)(F)c1cc(Oc2ccccc2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC000737632172 599253072 /nfs/dbraw/zinc/25/30/72/599253072.db2.gz KXMHWPGTKDUTBF-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2c1C ZINC000822010309 607288666 /nfs/dbraw/zinc/28/86/66/607288666.db2.gz XIKMOTLWPLBVRA-UHFFFAOYSA-N -1 3 375.436 3.595 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2c1C ZINC000822010309 607288667 /nfs/dbraw/zinc/28/86/67/607288667.db2.gz XIKMOTLWPLBVRA-UHFFFAOYSA-N -1 3 375.436 3.595 20 0 GHADHM Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-c1nnn[n-]1 ZINC000822104187 607297019 /nfs/dbraw/zinc/29/70/19/607297019.db2.gz KZDKSNWGXLWLGX-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822104187 607297020 /nfs/dbraw/zinc/29/70/20/607297020.db2.gz KZDKSNWGXLWLGX-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cccc1-c1nnn[n-]1 ZINC000822104805 607297476 /nfs/dbraw/zinc/29/74/76/607297476.db2.gz QOWXHBUUZALKNY-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cccc1-c1nn[n-]n1 ZINC000822104805 607297477 /nfs/dbraw/zinc/29/74/77/607297477.db2.gz QOWXHBUUZALKNY-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM c1cc(-c2cccc(CNc3nnc(C4CC4)s3)c2)sc1-c1nnn[n-]1 ZINC000823751359 607305159 /nfs/dbraw/zinc/30/51/59/607305159.db2.gz HMBVHOUHWDVSJQ-UHFFFAOYSA-N -1 3 381.490 3.936 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc(F)c1F ZINC000736487085 599276566 /nfs/dbraw/zinc/27/65/66/599276566.db2.gz CEMGXFWFICZJFL-UHFFFAOYSA-N -1 3 386.406 3.538 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOCc1ccccc1 ZINC000736487548 599276946 /nfs/dbraw/zinc/27/69/46/599276946.db2.gz HSMAIFLWXMLVCT-UHFFFAOYSA-N -1 3 394.479 3.624 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820950205 599277065 /nfs/dbraw/zinc/27/70/65/599277065.db2.gz KSUYOXISKVFKLW-KRWDZBQOSA-N -1 3 380.399 3.512 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820950205 599277067 /nfs/dbraw/zinc/27/70/67/599277067.db2.gz KSUYOXISKVFKLW-KRWDZBQOSA-N -1 3 380.399 3.512 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820666508 599278939 /nfs/dbraw/zinc/27/89/39/599278939.db2.gz IFRSTOJKQGJWNK-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820666508 599278942 /nfs/dbraw/zinc/27/89/42/599278942.db2.gz IFRSTOJKQGJWNK-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM Cc1c2c(sc1NC(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000737219230 599279235 /nfs/dbraw/zinc/27/92/35/599279235.db2.gz QVSPOLXJWNKVGL-UHFFFAOYSA-N -1 3 399.545 3.987 20 0 GHADHM Cc1c2c(sc1NC(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737219230 599279237 /nfs/dbraw/zinc/27/92/37/599279237.db2.gz QVSPOLXJWNKVGL-UHFFFAOYSA-N -1 3 399.545 3.987 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000737221824 599283482 /nfs/dbraw/zinc/28/34/82/599283482.db2.gz PJFHFFGHYZDAEM-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000821612318 599286409 /nfs/dbraw/zinc/28/64/09/599286409.db2.gz QMYZZKGYAMOCJX-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000821612318 599286412 /nfs/dbraw/zinc/28/64/12/599286412.db2.gz QMYZZKGYAMOCJX-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nccs1 ZINC000820919856 599289148 /nfs/dbraw/zinc/28/91/48/599289148.db2.gz GXZGKRLVHWMWBK-LLVKDONJSA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccs1 ZINC000820919856 599289150 /nfs/dbraw/zinc/28/91/50/599289150.db2.gz GXZGKRLVHWMWBK-LLVKDONJSA-N -1 3 397.386 3.615 20 0 GHADHM S=C(NCCOC1CCCCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400564 599291206 /nfs/dbraw/zinc/29/12/06/599291206.db2.gz GPDWJGPIDXWFJL-UHFFFAOYSA-N -1 3 394.932 3.546 20 0 GHADHM S=C(NCCOC1CCCCCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400564 599291208 /nfs/dbraw/zinc/29/12/08/599291208.db2.gz GPDWJGPIDXWFJL-UHFFFAOYSA-N -1 3 394.932 3.546 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000822198008 607328556 /nfs/dbraw/zinc/32/85/56/607328556.db2.gz YRBADXCFFDPIOV-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1noc2ncc(NC(=O)c3ccccc3-c3ccccc3-c3nnn[n-]3)cc12 ZINC000737547006 598231635 /nfs/dbraw/zinc/23/16/35/598231635.db2.gz GLIFXYMQARJXCY-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM Cc1noc2ncc(NC(=O)c3ccccc3-c3ccccc3-c3nn[n-]n3)cc12 ZINC000737547006 598231637 /nfs/dbraw/zinc/23/16/37/598231637.db2.gz GLIFXYMQARJXCY-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM CC(C)c1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000735923936 598232018 /nfs/dbraw/zinc/23/20/18/598232018.db2.gz ZHATZVYOOCHSIL-UHFFFAOYSA-N -1 3 389.419 3.758 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000737933273 598232655 /nfs/dbraw/zinc/23/26/55/598232655.db2.gz WDIKYPDOPUUAOG-HXUWFJFHSA-N -1 3 393.516 3.758 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000737933273 598232656 /nfs/dbraw/zinc/23/26/56/598232656.db2.gz WDIKYPDOPUUAOG-HXUWFJFHSA-N -1 3 393.516 3.758 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc[nH]c1=S ZINC000738186100 598232956 /nfs/dbraw/zinc/23/29/56/598232956.db2.gz XFXRKELLZUDYNJ-UHFFFAOYSA-N -1 3 390.428 3.595 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]c1=S ZINC000738186100 598232958 /nfs/dbraw/zinc/23/29/58/598232958.db2.gz XFXRKELLZUDYNJ-UHFFFAOYSA-N -1 3 390.428 3.595 20 0 GHADHM O=C(CSC(F)(F)F)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737930828 598233055 /nfs/dbraw/zinc/23/30/55/598233055.db2.gz SAFGMPBMKCYFDV-UHFFFAOYSA-N -1 3 395.366 3.851 20 0 GHADHM O=C(CSC(F)(F)F)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737930828 598233058 /nfs/dbraw/zinc/23/30/58/598233058.db2.gz SAFGMPBMKCYFDV-UHFFFAOYSA-N -1 3 395.366 3.851 20 0 GHADHM COc1cccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cn2)c1 ZINC000737140596 598239734 /nfs/dbraw/zinc/23/97/34/598239734.db2.gz GFVMMZHHXISQMT-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM Cc1nnc(N[C@@H](C)c2ccc(OCCC(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000737523506 598244409 /nfs/dbraw/zinc/24/44/09/598244409.db2.gz ZOLZDJXDWAORAC-HNNXBMFYSA-N -1 3 381.484 3.872 20 0 GHADHM Cc1nnc(N[C@@H](C)c2ccc(OCCC(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000737523506 598244410 /nfs/dbraw/zinc/24/44/10/598244410.db2.gz ZOLZDJXDWAORAC-HNNXBMFYSA-N -1 3 381.484 3.872 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737408221 598255993 /nfs/dbraw/zinc/25/59/93/598255993.db2.gz HKONUANDEMKGDK-INIZCTEOSA-N -1 3 379.468 3.541 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737408221 598255995 /nfs/dbraw/zinc/25/59/95/598255995.db2.gz HKONUANDEMKGDK-INIZCTEOSA-N -1 3 379.468 3.541 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000738113583 598269679 /nfs/dbraw/zinc/26/96/79/598269679.db2.gz YMLLBJWAYKGSGI-UHFFFAOYSA-N -1 3 398.470 3.779 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000738113583 598269681 /nfs/dbraw/zinc/26/96/81/598269681.db2.gz YMLLBJWAYKGSGI-UHFFFAOYSA-N -1 3 398.470 3.779 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000738101882 598269692 /nfs/dbraw/zinc/26/96/92/598269692.db2.gz MKSGSXNSFNNHJU-UHFFFAOYSA-N -1 3 398.470 3.779 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000738101882 598269693 /nfs/dbraw/zinc/26/96/93/598269693.db2.gz MKSGSXNSFNNHJU-UHFFFAOYSA-N -1 3 398.470 3.779 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(N[C@H](C)c2nc(C)no2)cc1 ZINC000737033535 598273794 /nfs/dbraw/zinc/27/37/94/598273794.db2.gz ZKIKWZYRQXXHEV-LLVKDONJSA-N -1 3 393.407 3.532 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(N[C@H](C)c2nc(C)no2)cc1 ZINC000737033535 598273796 /nfs/dbraw/zinc/27/37/96/598273796.db2.gz ZKIKWZYRQXXHEV-LLVKDONJSA-N -1 3 393.407 3.532 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1OC ZINC000737090113 598274430 /nfs/dbraw/zinc/27/44/30/598274430.db2.gz HYJNHQFXYLUXHQ-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1OC ZINC000737090113 598274432 /nfs/dbraw/zinc/27/44/32/598274432.db2.gz HYJNHQFXYLUXHQ-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM CCc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736693270 598275375 /nfs/dbraw/zinc/27/53/75/598275375.db2.gz ZZBRTFGFBJQMLW-UHFFFAOYSA-N -1 3 381.484 3.650 20 0 GHADHM CCc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736693270 598275377 /nfs/dbraw/zinc/27/53/77/598275377.db2.gz ZZBRTFGFBJQMLW-UHFFFAOYSA-N -1 3 381.484 3.650 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000735660251 598275865 /nfs/dbraw/zinc/27/58/65/598275865.db2.gz KFEZDCPDRYRLBG-UHFFFAOYSA-N -1 3 397.458 3.759 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000735660251 598275867 /nfs/dbraw/zinc/27/58/67/598275867.db2.gz KFEZDCPDRYRLBG-UHFFFAOYSA-N -1 3 397.458 3.759 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000735660624 598277330 /nfs/dbraw/zinc/27/73/30/598277330.db2.gz NHBIOXQWBJIVPW-CQSZACIVSA-N -1 3 385.497 3.854 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000735660624 598277331 /nfs/dbraw/zinc/27/73/31/598277331.db2.gz NHBIOXQWBJIVPW-CQSZACIVSA-N -1 3 385.497 3.854 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1OC ZINC000736361675 598277939 /nfs/dbraw/zinc/27/79/39/598277939.db2.gz HIQCOOCXVIPOPK-OAHLLOKOSA-N -1 3 397.483 3.705 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1OC ZINC000736361675 598277940 /nfs/dbraw/zinc/27/79/40/598277940.db2.gz HIQCOOCXVIPOPK-OAHLLOKOSA-N -1 3 397.483 3.705 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000736117113 598279209 /nfs/dbraw/zinc/27/92/09/598279209.db2.gz HPFXJSMRSFAWAZ-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000736117113 598279210 /nfs/dbraw/zinc/27/92/10/598279210.db2.gz HPFXJSMRSFAWAZ-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737418506 598279866 /nfs/dbraw/zinc/27/98/66/598279866.db2.gz BQGUSMZCCHWXLW-CQSZACIVSA-N -1 3 381.484 3.957 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737418506 598279867 /nfs/dbraw/zinc/27/98/67/598279867.db2.gz BQGUSMZCCHWXLW-CQSZACIVSA-N -1 3 381.484 3.957 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737318280 598280745 /nfs/dbraw/zinc/28/07/45/598280745.db2.gz UVTSHJNDGYSWPY-CQSZACIVSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737318280 598280747 /nfs/dbraw/zinc/28/07/47/598280747.db2.gz UVTSHJNDGYSWPY-CQSZACIVSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737464596 598296077 /nfs/dbraw/zinc/29/60/77/598296077.db2.gz PWHOIVACBQALMW-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737464596 598296079 /nfs/dbraw/zinc/29/60/79/598296079.db2.gz PWHOIVACBQALMW-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000736025722 598296860 /nfs/dbraw/zinc/29/68/60/598296860.db2.gz JIWQHMHVBZFDIG-SNVBAGLBSA-N -1 3 376.247 3.707 20 0 GHADHM C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000736025722 598296862 /nfs/dbraw/zinc/29/68/62/598296862.db2.gz JIWQHMHVBZFDIG-SNVBAGLBSA-N -1 3 376.247 3.707 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736326289 598297356 /nfs/dbraw/zinc/29/73/56/598297356.db2.gz IDDGTJIYHICFDE-VNDWYCCKSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736326289 598297358 /nfs/dbraw/zinc/29/73/58/598297358.db2.gz IDDGTJIYHICFDE-VNDWYCCKSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736330420 598297411 /nfs/dbraw/zinc/29/74/11/598297411.db2.gz YAZIDWXVMLBINS-HCYCVZQXSA-N -1 3 394.431 3.671 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736330420 598297413 /nfs/dbraw/zinc/29/74/13/598297413.db2.gz YAZIDWXVMLBINS-HCYCVZQXSA-N -1 3 394.431 3.671 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cc1ccccc1 ZINC000738103039 598306617 /nfs/dbraw/zinc/30/66/17/598306617.db2.gz XMRMGGJIJJSGTJ-UHFFFAOYSA-N -1 3 387.418 3.527 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cc1ccccc1 ZINC000738103039 598306619 /nfs/dbraw/zinc/30/66/19/598306619.db2.gz XMRMGGJIJJSGTJ-UHFFFAOYSA-N -1 3 387.418 3.527 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736184334 598307705 /nfs/dbraw/zinc/30/77/05/598307705.db2.gz YTBUKUBFEFKOTF-ZDUSSCGKSA-N -1 3 397.454 3.734 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736184334 598307706 /nfs/dbraw/zinc/30/77/06/598307706.db2.gz YTBUKUBFEFKOTF-ZDUSSCGKSA-N -1 3 397.454 3.734 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737447490 598311659 /nfs/dbraw/zinc/31/16/59/598311659.db2.gz CQDWMRHMZBJWRN-KTKRTIGZSA-N -1 3 389.440 3.917 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737447490 598311661 /nfs/dbraw/zinc/31/16/61/598311661.db2.gz CQDWMRHMZBJWRN-KTKRTIGZSA-N -1 3 389.440 3.917 20 0 GHADHM O=C(CSCc1cc(F)ccc1F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737930683 598314005 /nfs/dbraw/zinc/31/40/05/598314005.db2.gz DDQVTQBDSHLXEO-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1cc(F)ccc1F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737930683 598314007 /nfs/dbraw/zinc/31/40/07/598314007.db2.gz DDQVTQBDSHLXEO-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM CCN(CC)C(=O)[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736525064 598314747 /nfs/dbraw/zinc/31/47/47/598314747.db2.gz YYNWVTVZIQKIDE-SFHVURJKSA-N -1 3 399.495 3.849 20 0 GHADHM CCN(CC)C(=O)[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736525064 598314748 /nfs/dbraw/zinc/31/47/48/598314748.db2.gz YYNWVTVZIQKIDE-SFHVURJKSA-N -1 3 399.495 3.849 20 0 GHADHM CC(C)CN(CC(F)(F)F)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735827109 598321395 /nfs/dbraw/zinc/32/13/95/598321395.db2.gz FIHLJOIOAGAXJP-UHFFFAOYSA-N -1 3 392.838 3.737 20 0 GHADHM CC(C)CN(CC(F)(F)F)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735827109 598321396 /nfs/dbraw/zinc/32/13/96/598321396.db2.gz FIHLJOIOAGAXJP-UHFFFAOYSA-N -1 3 392.838 3.737 20 0 GHADHM C[C@@H](Cc1ccccc1F)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736065197 598321749 /nfs/dbraw/zinc/32/17/49/598321749.db2.gz AOBNDTQDERDZDD-JTQLQIEISA-N -1 3 390.875 3.577 20 0 GHADHM C[C@@H](Cc1ccccc1F)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736065197 598321750 /nfs/dbraw/zinc/32/17/50/598321750.db2.gz AOBNDTQDERDZDD-JTQLQIEISA-N -1 3 390.875 3.577 20 0 GHADHM Cc1ccc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737322313 598322765 /nfs/dbraw/zinc/32/27/65/598322765.db2.gz XWIRBAUPGDHQGX-VIFPVBQESA-N -1 3 378.914 3.938 20 0 GHADHM Cc1ccc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737322313 598322767 /nfs/dbraw/zinc/32/27/67/598322767.db2.gz XWIRBAUPGDHQGX-VIFPVBQESA-N -1 3 378.914 3.938 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736390118 598358546 /nfs/dbraw/zinc/35/85/46/598358546.db2.gz GUHBQMKZFCPEDA-SFHVURJKSA-N -1 3 397.454 3.603 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736390118 598358548 /nfs/dbraw/zinc/35/85/48/598358548.db2.gz GUHBQMKZFCPEDA-SFHVURJKSA-N -1 3 397.454 3.603 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000736637576 598360918 /nfs/dbraw/zinc/36/09/18/598360918.db2.gz TUPGUKBBOUGIJZ-UHFFFAOYSA-N -1 3 384.484 3.844 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000736637576 598360920 /nfs/dbraw/zinc/36/09/20/598360920.db2.gz TUPGUKBBOUGIJZ-UHFFFAOYSA-N -1 3 384.484 3.844 20 0 GHADHM CN(C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000736749810 598376040 /nfs/dbraw/zinc/37/60/40/598376040.db2.gz SHDXPYUGQVIWOG-UHFFFAOYSA-N -1 3 391.460 3.582 20 0 GHADHM CN(C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000736749810 598376042 /nfs/dbraw/zinc/37/60/42/598376042.db2.gz SHDXPYUGQVIWOG-UHFFFAOYSA-N -1 3 391.460 3.582 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000736820085 598380099 /nfs/dbraw/zinc/38/00/99/598380099.db2.gz LIRSDISJEGTAQU-HXUWFJFHSA-N -1 3 391.475 3.526 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000736820085 598380101 /nfs/dbraw/zinc/38/01/01/598380101.db2.gz LIRSDISJEGTAQU-HXUWFJFHSA-N -1 3 391.475 3.526 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)cc1Cl ZINC000738321759 598381325 /nfs/dbraw/zinc/38/13/25/598381325.db2.gz YZRINKRQKPDOIS-VGOFMYFVSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)cc1Cl ZINC000738321759 598381327 /nfs/dbraw/zinc/38/13/27/598381327.db2.gz YZRINKRQKPDOIS-VGOFMYFVSA-N -1 3 386.198 3.518 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737854568 598382229 /nfs/dbraw/zinc/38/22/29/598382229.db2.gz RXUGFDIDARFYSL-UHFFFAOYSA-N -1 3 394.454 3.567 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737854568 598382230 /nfs/dbraw/zinc/38/22/30/598382230.db2.gz RXUGFDIDARFYSL-UHFFFAOYSA-N -1 3 394.454 3.567 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737423580 598391309 /nfs/dbraw/zinc/39/13/09/598391309.db2.gz RJSKXXFDJQGRQB-INIZCTEOSA-N -1 3 390.491 3.825 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737423580 598391310 /nfs/dbraw/zinc/39/13/10/598391310.db2.gz RJSKXXFDJQGRQB-INIZCTEOSA-N -1 3 390.491 3.825 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737807696 598396535 /nfs/dbraw/zinc/39/65/35/598396535.db2.gz LYVXRYRLQPNQNE-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000736190669 598415249 /nfs/dbraw/zinc/41/52/49/598415249.db2.gz GMIDMSAXJWZJKK-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000736190669 598415251 /nfs/dbraw/zinc/41/52/51/598415251.db2.gz GMIDMSAXJWZJKK-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738208098 598420020 /nfs/dbraw/zinc/42/00/20/598420020.db2.gz KAAYYLBVINKNKX-MNOVXSKESA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738208098 598420022 /nfs/dbraw/zinc/42/00/22/598420022.db2.gz KAAYYLBVINKNKX-MNOVXSKESA-N -1 3 380.260 3.977 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738111132 598422045 /nfs/dbraw/zinc/42/20/45/598422045.db2.gz INBMIHXLHUMQSE-HUUCEWRRSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738111132 598422047 /nfs/dbraw/zinc/42/20/47/598422047.db2.gz INBMIHXLHUMQSE-HUUCEWRRSA-N -1 3 388.258 3.593 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735838497 598422177 /nfs/dbraw/zinc/42/21/77/598422177.db2.gz RMOUVXYZTYRZDM-UHFFFAOYSA-N -1 3 379.464 3.567 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735838497 598422178 /nfs/dbraw/zinc/42/21/78/598422178.db2.gz RMOUVXYZTYRZDM-UHFFFAOYSA-N -1 3 379.464 3.567 20 0 GHADHM CC(C)(C)c1noc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000735654956 598434005 /nfs/dbraw/zinc/43/40/05/598434005.db2.gz LUPUWJUOEQTBPH-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1noc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000735654956 598434003 /nfs/dbraw/zinc/43/40/03/598434003.db2.gz LUPUWJUOEQTBPH-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000737023448 598438370 /nfs/dbraw/zinc/43/83/70/598438370.db2.gz GFCKUVYMSHIMSP-ROUUACIJSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000737023448 598438372 /nfs/dbraw/zinc/43/83/72/598438372.db2.gz GFCKUVYMSHIMSP-ROUUACIJSA-N -1 3 386.411 3.738 20 0 GHADHM CCCCCCOCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000736446559 598442187 /nfs/dbraw/zinc/44/21/87/598442187.db2.gz JEOYLBLSUWWQBN-UHFFFAOYSA-N -1 3 393.491 3.997 20 0 GHADHM CCCCCCOCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000736446559 598442189 /nfs/dbraw/zinc/44/21/89/598442189.db2.gz JEOYLBLSUWWQBN-UHFFFAOYSA-N -1 3 393.491 3.997 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(-c2ccccc2C)n1 ZINC000737062404 598444872 /nfs/dbraw/zinc/44/48/72/598444872.db2.gz KMCGSTBODFDKST-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccccc2C)n1 ZINC000737062404 598444873 /nfs/dbraw/zinc/44/48/73/598444873.db2.gz KMCGSTBODFDKST-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM Cc1cc(C)c2c(c1)N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737248953 598445792 /nfs/dbraw/zinc/44/57/92/598445792.db2.gz PODRSYWDECKBGX-UHFFFAOYSA-N -1 3 393.516 3.696 20 0 GHADHM Cc1cc(C)c2c(c1)N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737248953 598445793 /nfs/dbraw/zinc/44/57/93/598445793.db2.gz PODRSYWDECKBGX-UHFFFAOYSA-N -1 3 393.516 3.696 20 0 GHADHM O=C(COC(=O)c1sccc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416600 607358055 /nfs/dbraw/zinc/35/80/55/607358055.db2.gz HDZDGFZOQOYCPW-UHFFFAOYSA-N -1 3 390.424 3.635 20 0 GHADHM O=C(COC(=O)c1sccc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416600 607358057 /nfs/dbraw/zinc/35/80/57/607358057.db2.gz HDZDGFZOQOYCPW-UHFFFAOYSA-N -1 3 390.424 3.635 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000736961193 598476665 /nfs/dbraw/zinc/47/66/65/598476665.db2.gz JUJCLRGOXANZLS-AWEZNQCLSA-N -1 3 392.463 3.771 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000736961193 598476667 /nfs/dbraw/zinc/47/66/67/598476667.db2.gz JUJCLRGOXANZLS-AWEZNQCLSA-N -1 3 392.463 3.771 20 0 GHADHM C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162104 598483136 /nfs/dbraw/zinc/48/31/36/598483136.db2.gz HGADWAUSPHJXEH-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162104 598483138 /nfs/dbraw/zinc/48/31/38/598483138.db2.gz HGADWAUSPHJXEH-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1csc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164523 598486289 /nfs/dbraw/zinc/48/62/89/598486289.db2.gz XZXLZVYJDAXTRH-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1csc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164523 598486290 /nfs/dbraw/zinc/48/62/90/598486290.db2.gz XZXLZVYJDAXTRH-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000735662790 598488382 /nfs/dbraw/zinc/48/83/82/598488382.db2.gz XKALZKDVHIMMQB-UHFFFAOYSA-N -1 3 398.229 3.516 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000735662790 598488384 /nfs/dbraw/zinc/48/83/84/598488384.db2.gz XKALZKDVHIMMQB-UHFFFAOYSA-N -1 3 398.229 3.516 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737560631 598488375 /nfs/dbraw/zinc/48/83/75/598488375.db2.gz GMFJJVPQOOSWBX-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737560631 598488376 /nfs/dbraw/zinc/48/83/76/598488376.db2.gz GMFJJVPQOOSWBX-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737795890 598495328 /nfs/dbraw/zinc/49/53/28/598495328.db2.gz CHXHKKSVJDPAHQ-CMDGGOBGSA-N -1 3 381.461 3.902 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737795890 598495329 /nfs/dbraw/zinc/49/53/29/598495329.db2.gz CHXHKKSVJDPAHQ-CMDGGOBGSA-N -1 3 381.461 3.902 20 0 GHADHM CCc1ccc([C@H](C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736685599 598498293 /nfs/dbraw/zinc/49/82/93/598498293.db2.gz HNLVTWIJTZUUCQ-HNNXBMFYSA-N -1 3 395.532 3.582 20 0 GHADHM CCc1ccc([C@H](C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736685599 598498295 /nfs/dbraw/zinc/49/82/95/598498295.db2.gz HNLVTWIJTZUUCQ-HNNXBMFYSA-N -1 3 395.532 3.582 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731038 598514822 /nfs/dbraw/zinc/51/48/22/598514822.db2.gz GAEOLRNROAZXOV-KBPBESRZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731038 598514824 /nfs/dbraw/zinc/51/48/24/598514824.db2.gz GAEOLRNROAZXOV-KBPBESRZSA-N -1 3 388.258 3.940 20 0 GHADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736456633 598534633 /nfs/dbraw/zinc/53/46/33/598534633.db2.gz FZYNNMHBIJCCSH-UHFFFAOYSA-N -1 3 391.884 3.516 20 0 GHADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736456633 598534635 /nfs/dbraw/zinc/53/46/35/598534635.db2.gz FZYNNMHBIJCCSH-UHFFFAOYSA-N -1 3 391.884 3.516 20 0 GHADHM Cc1ccccc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737437001 598537973 /nfs/dbraw/zinc/53/79/73/598537973.db2.gz VFSUYTREWBHFGO-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM O=C(Oc1cc(F)cc(F)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738252062 598540994 /nfs/dbraw/zinc/54/09/94/598540994.db2.gz VZQSXOWBAUUMDY-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735666616 598547539 /nfs/dbraw/zinc/54/75/39/598547539.db2.gz PXUVZNZEKUEIGB-VAWYXSNFSA-N -1 3 381.867 3.627 20 0 GHADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735666616 598547541 /nfs/dbraw/zinc/54/75/41/598547541.db2.gz PXUVZNZEKUEIGB-VAWYXSNFSA-N -1 3 381.867 3.627 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000738289256 598550515 /nfs/dbraw/zinc/55/05/15/598550515.db2.gz HRANCIUHVVYQBE-CYBMUJFWSA-N -1 3 393.394 3.924 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000738289256 598550517 /nfs/dbraw/zinc/55/05/17/598550517.db2.gz HRANCIUHVVYQBE-CYBMUJFWSA-N -1 3 393.394 3.924 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737446682 598555176 /nfs/dbraw/zinc/55/51/76/598555176.db2.gz SINSWVKSNILTLW-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737446682 598555178 /nfs/dbraw/zinc/55/51/78/598555178.db2.gz SINSWVKSNILTLW-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736252945 598561697 /nfs/dbraw/zinc/56/16/97/598561697.db2.gz SHWHIASPRORTKF-CMPLNLGQSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736252945 598561699 /nfs/dbraw/zinc/56/16/99/598561699.db2.gz SHWHIASPRORTKF-CMPLNLGQSA-N -1 3 380.399 3.511 20 0 GHADHM CCCCc1nc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000736467240 598566166 /nfs/dbraw/zinc/56/61/66/598566166.db2.gz ZXWXXOACSIKCMG-UHFFFAOYSA-N -1 3 376.420 3.838 20 0 GHADHM CCCCc1nc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000736467240 598566168 /nfs/dbraw/zinc/56/61/68/598566168.db2.gz ZXWXXOACSIKCMG-UHFFFAOYSA-N -1 3 376.420 3.838 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1CCCSCC1 ZINC000738173418 598566178 /nfs/dbraw/zinc/56/61/78/598566178.db2.gz QEGRKCUNNTVGTK-UHFFFAOYSA-N -1 3 396.476 3.630 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1CCCSCC1 ZINC000738173418 598566180 /nfs/dbraw/zinc/56/61/80/598566180.db2.gz QEGRKCUNNTVGTK-UHFFFAOYSA-N -1 3 396.476 3.630 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000738191031 598572568 /nfs/dbraw/zinc/57/25/68/598572568.db2.gz HSNRMIHFIXAFJY-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2c(F)cccc2F)n1 ZINC000738191031 598572569 /nfs/dbraw/zinc/57/25/69/598572569.db2.gz HSNRMIHFIXAFJY-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCOc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736277593 598581852 /nfs/dbraw/zinc/58/18/52/598581852.db2.gz AGLPTAQVRQVUGT-YPMHNXCESA-N -1 3 395.488 3.558 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCOc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736277593 598581853 /nfs/dbraw/zinc/58/18/53/598581853.db2.gz AGLPTAQVRQVUGT-YPMHNXCESA-N -1 3 395.488 3.558 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737316497 598585258 /nfs/dbraw/zinc/58/52/58/598585258.db2.gz DGPSIDVWXPHIML-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737316497 598585260 /nfs/dbraw/zinc/58/52/60/598585260.db2.gz DGPSIDVWXPHIML-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OCCC ZINC000736490592 598588320 /nfs/dbraw/zinc/58/83/20/598588320.db2.gz NXTYBOCLOCLASE-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1OCCC ZINC000736490592 598588321 /nfs/dbraw/zinc/58/83/21/598588321.db2.gz NXTYBOCLOCLASE-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C2SCCS2)cc1 ZINC000738165362 598591546 /nfs/dbraw/zinc/59/15/46/598591546.db2.gz CKJDTXLTUKOTKR-UHFFFAOYSA-N -1 3 387.465 3.737 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C2SCCS2)cc1 ZINC000738165362 598591548 /nfs/dbraw/zinc/59/15/48/598591548.db2.gz CKJDTXLTUKOTKR-UHFFFAOYSA-N -1 3 387.465 3.737 20 0 GHADHM C[C@@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120124 598597558 /nfs/dbraw/zinc/59/75/58/598597558.db2.gz XHMAQZFTYNAVHF-CQSZACIVSA-N -1 3 394.504 3.552 20 0 GHADHM C[C@@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120124 598597559 /nfs/dbraw/zinc/59/75/59/598597559.db2.gz XHMAQZFTYNAVHF-CQSZACIVSA-N -1 3 394.504 3.552 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737848847 598599600 /nfs/dbraw/zinc/59/96/00/598599600.db2.gz ULFYLMUIUGCUSG-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737848847 598599602 /nfs/dbraw/zinc/59/96/02/598599602.db2.gz ULFYLMUIUGCUSG-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM Cc1cccn2cc(CNc3ccccc3Oc3ncccc3-c3nnn[n-]3)nc12 ZINC000737432533 598602399 /nfs/dbraw/zinc/60/23/99/598602399.db2.gz ALBQPECYTUKMER-UHFFFAOYSA-N -1 3 398.430 3.622 20 0 GHADHM Brc1cccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000735369021 598607916 /nfs/dbraw/zinc/60/79/16/598607916.db2.gz RKNWWXNKBPEXMD-HJWRWDBZSA-N -1 3 395.220 3.850 20 0 GHADHM Brc1cccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000735369021 598607918 /nfs/dbraw/zinc/60/79/18/598607918.db2.gz RKNWWXNKBPEXMD-HJWRWDBZSA-N -1 3 395.220 3.850 20 0 GHADHM c1csc(-c2noc(-c3ccc(COc4ccc(-c5nn[n-]n5)cc4)o3)n2)c1 ZINC000738453282 598609420 /nfs/dbraw/zinc/60/94/20/598609420.db2.gz WQZBVCUEUDBCEH-UHFFFAOYSA-N -1 3 392.400 3.817 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000735655902 598609753 /nfs/dbraw/zinc/60/97/53/598609753.db2.gz SIUGZSLYIKMTCZ-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000735655902 598609755 /nfs/dbraw/zinc/60/97/55/598609755.db2.gz SIUGZSLYIKMTCZ-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737286089 598629274 /nfs/dbraw/zinc/62/92/74/598629274.db2.gz YQAJXBZRRREOOD-HNNXBMFYSA-N -1 3 384.415 3.742 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737286089 598629276 /nfs/dbraw/zinc/62/92/76/598629276.db2.gz YQAJXBZRRREOOD-HNNXBMFYSA-N -1 3 384.415 3.742 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736490769 598629331 /nfs/dbraw/zinc/62/93/31/598629331.db2.gz PPMJORAXZQUQNL-GFCCVEGCSA-N -1 3 384.415 3.677 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736490769 598629333 /nfs/dbraw/zinc/62/93/33/598629333.db2.gz PPMJORAXZQUQNL-GFCCVEGCSA-N -1 3 384.415 3.677 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198068 598630810 /nfs/dbraw/zinc/63/08/10/598630810.db2.gz QEGDGYSUAXADHS-NSHDSACASA-N -1 3 380.383 3.977 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198068 598630812 /nfs/dbraw/zinc/63/08/12/598630812.db2.gz QEGDGYSUAXADHS-NSHDSACASA-N -1 3 380.383 3.977 20 0 GHADHM C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736255870 598646217 /nfs/dbraw/zinc/64/62/17/598646217.db2.gz XBEHUAIAKCFLNO-CXAGYDPISA-N -1 3 379.420 3.790 20 0 GHADHM C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736255870 598646219 /nfs/dbraw/zinc/64/62/19/598646219.db2.gz XBEHUAIAKCFLNO-CXAGYDPISA-N -1 3 379.420 3.790 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735924326 598648313 /nfs/dbraw/zinc/64/83/13/598648313.db2.gz QPXWDABGGQOHSG-CQSZACIVSA-N -1 3 381.505 3.960 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924326 598648314 /nfs/dbraw/zinc/64/83/14/598648314.db2.gz QPXWDABGGQOHSG-CQSZACIVSA-N -1 3 381.505 3.960 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000737832306 598648781 /nfs/dbraw/zinc/64/87/81/598648781.db2.gz JAPJSOQKNRZRPB-NRFANRHFSA-N -1 3 391.475 3.683 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000737832306 598648782 /nfs/dbraw/zinc/64/87/82/598648782.db2.gz JAPJSOQKNRZRPB-NRFANRHFSA-N -1 3 391.475 3.683 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736472026 598650469 /nfs/dbraw/zinc/65/04/69/598650469.db2.gz RTTPBAKLCGGQSL-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736472026 598650470 /nfs/dbraw/zinc/65/04/70/598650470.db2.gz RTTPBAKLCGGQSL-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000737944172 598652667 /nfs/dbraw/zinc/65/26/67/598652667.db2.gz WJVVWNVRPVDDJI-QGZVFWFLSA-N -1 3 399.907 3.976 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000737944172 598652668 /nfs/dbraw/zinc/65/26/68/598652668.db2.gz WJVVWNVRPVDDJI-QGZVFWFLSA-N -1 3 399.907 3.976 20 0 GHADHM Cc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737396296 598653441 /nfs/dbraw/zinc/65/34/41/598653441.db2.gz GBQDFTJWMNHHRC-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737396296 598653443 /nfs/dbraw/zinc/65/34/43/598653443.db2.gz GBQDFTJWMNHHRC-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735589730 598653466 /nfs/dbraw/zinc/65/34/66/598653466.db2.gz NWIREKBHKDZSIP-GOSISDBHSA-N -1 3 381.505 3.862 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735589730 598653468 /nfs/dbraw/zinc/65/34/68/598653468.db2.gz NWIREKBHKDZSIP-GOSISDBHSA-N -1 3 381.505 3.862 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000736636116 598654656 /nfs/dbraw/zinc/65/46/56/598654656.db2.gz OCYRHABUKJFVOI-ZDUSSCGKSA-N -1 3 383.477 3.632 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000736636116 598654658 /nfs/dbraw/zinc/65/46/58/598654658.db2.gz OCYRHABUKJFVOI-ZDUSSCGKSA-N -1 3 383.477 3.632 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737143005 598655371 /nfs/dbraw/zinc/65/53/71/598655371.db2.gz RNJPIUFQJDVXDZ-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737143005 598655372 /nfs/dbraw/zinc/65/53/72/598655372.db2.gz RNJPIUFQJDVXDZ-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737824032 598655758 /nfs/dbraw/zinc/65/57/58/598655758.db2.gz NKIYJFOBZQWDNI-INIZCTEOSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737824032 598655760 /nfs/dbraw/zinc/65/57/60/598655760.db2.gz NKIYJFOBZQWDNI-INIZCTEOSA-N -1 3 393.447 3.947 20 0 GHADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735752219 598664373 /nfs/dbraw/zinc/66/43/73/598664373.db2.gz ZBXRFKJKMSWAQZ-RBUKOAKNSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735752219 598664374 /nfs/dbraw/zinc/66/43/74/598664374.db2.gz ZBXRFKJKMSWAQZ-RBUKOAKNSA-N -1 3 385.512 3.747 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000738268995 598684049 /nfs/dbraw/zinc/68/40/49/598684049.db2.gz JSDBJXWIEUPTHG-LJQANCHMSA-N -1 3 398.426 3.641 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000738268995 598684052 /nfs/dbraw/zinc/68/40/52/598684052.db2.gz JSDBJXWIEUPTHG-LJQANCHMSA-N -1 3 398.426 3.641 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000736191909 598695842 /nfs/dbraw/zinc/69/58/42/598695842.db2.gz XSHKRBVIQBHZPV-ZOPJHEKZSA-N -1 3 391.516 3.568 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000736191909 598695843 /nfs/dbraw/zinc/69/58/43/598695843.db2.gz XSHKRBVIQBHZPV-ZOPJHEKZSA-N -1 3 391.516 3.568 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735839587 598695917 /nfs/dbraw/zinc/69/59/17/598695917.db2.gz ZGXNSNAQYRLVOK-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735839587 598695919 /nfs/dbraw/zinc/69/59/19/598695919.db2.gz ZGXNSNAQYRLVOK-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737318149 598699513 /nfs/dbraw/zinc/69/95/13/598699513.db2.gz SVXGCFZBYCGBOD-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737318149 598699514 /nfs/dbraw/zinc/69/95/14/598699514.db2.gz SVXGCFZBYCGBOD-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738147364 598700915 /nfs/dbraw/zinc/70/09/15/598700915.db2.gz VEMKQSAZKFBXOK-UHFFFAOYSA-N -1 3 387.403 3.512 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736194078 598709049 /nfs/dbraw/zinc/70/90/49/598709049.db2.gz YMAALRZVGPYBOX-SNVBAGLBSA-N -1 3 392.843 3.883 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736194078 598709050 /nfs/dbraw/zinc/70/90/50/598709050.db2.gz YMAALRZVGPYBOX-SNVBAGLBSA-N -1 3 392.843 3.883 20 0 GHADHM Nc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1Oc1ccccc1 ZINC000737774637 598712804 /nfs/dbraw/zinc/71/28/04/598712804.db2.gz UIWDZOCHCDNWSP-UHFFFAOYSA-N -1 3 387.399 3.598 20 0 GHADHM Nc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1Oc1ccccc1 ZINC000737774637 598712806 /nfs/dbraw/zinc/71/28/06/598712806.db2.gz UIWDZOCHCDNWSP-UHFFFAOYSA-N -1 3 387.399 3.598 20 0 GHADHM CC(C)c1ccc(SCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347882 607365367 /nfs/dbraw/zinc/36/53/67/607365367.db2.gz QPTDSOIVSJOVNR-UHFFFAOYSA-N -1 3 396.472 3.508 20 0 GHADHM CC(C)c1ccc(SCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347882 607365370 /nfs/dbraw/zinc/36/53/70/607365370.db2.gz QPTDSOIVSJOVNR-UHFFFAOYSA-N -1 3 396.472 3.508 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736628571 598741563 /nfs/dbraw/zinc/74/15/63/598741563.db2.gz PMSBUHFVLWYFTO-LBPRGKRZSA-N -1 3 386.839 3.703 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000736628571 598741565 /nfs/dbraw/zinc/74/15/65/598741565.db2.gz PMSBUHFVLWYFTO-LBPRGKRZSA-N -1 3 386.839 3.703 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737819085 598742143 /nfs/dbraw/zinc/74/21/43/598742143.db2.gz LMAUFCVJUTYQIE-QGZVFWFLSA-N -1 3 387.487 3.553 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737819085 598742145 /nfs/dbraw/zinc/74/21/45/598742145.db2.gz LMAUFCVJUTYQIE-QGZVFWFLSA-N -1 3 387.487 3.553 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735920991 598743786 /nfs/dbraw/zinc/74/37/86/598743786.db2.gz DLXAVYSMXRAZQO-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736668433 598746040 /nfs/dbraw/zinc/74/60/40/598746040.db2.gz YZVOUHSNFPLNFL-ZVHGMHCTSA-N -1 3 379.489 3.869 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736668433 598746041 /nfs/dbraw/zinc/74/60/41/598746041.db2.gz YZVOUHSNFPLNFL-ZVHGMHCTSA-N -1 3 379.489 3.869 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736663017 598750473 /nfs/dbraw/zinc/75/04/73/598750473.db2.gz AKJTZSOTJLXJSS-LBPRGKRZSA-N -1 3 380.905 3.660 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736663017 598750474 /nfs/dbraw/zinc/75/04/74/598750474.db2.gz AKJTZSOTJLXJSS-LBPRGKRZSA-N -1 3 380.905 3.660 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737419858 598764868 /nfs/dbraw/zinc/76/48/68/598764868.db2.gz FWOKVGUQNPRESL-APWZRJJASA-N -1 3 393.491 3.846 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737419858 598764870 /nfs/dbraw/zinc/76/48/70/598764870.db2.gz FWOKVGUQNPRESL-APWZRJJASA-N -1 3 393.491 3.846 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736212437 598769077 /nfs/dbraw/zinc/76/90/77/598769077.db2.gz YZFGINACZNKMAJ-MRXNPFEDSA-N -1 3 393.516 3.935 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736212437 598769079 /nfs/dbraw/zinc/76/90/79/598769079.db2.gz YZFGINACZNKMAJ-MRXNPFEDSA-N -1 3 393.516 3.935 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736665378 598773022 /nfs/dbraw/zinc/77/30/22/598773022.db2.gz HFMZBYUHAGTCBA-ZDUSSCGKSA-N -1 3 382.493 3.539 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736665378 598773024 /nfs/dbraw/zinc/77/30/24/598773024.db2.gz HFMZBYUHAGTCBA-ZDUSSCGKSA-N -1 3 382.493 3.539 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCS1 ZINC000736278093 598781968 /nfs/dbraw/zinc/78/19/68/598781968.db2.gz DWTVVXFBANMAOO-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCS1 ZINC000736278093 598781969 /nfs/dbraw/zinc/78/19/69/598781969.db2.gz DWTVVXFBANMAOO-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM Cc1ccc2c(Cl)c(C(=O)NCc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000737371839 598790625 /nfs/dbraw/zinc/79/06/25/598790625.db2.gz NFBUVYJSGPOFDR-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM Cc1ccc2c(Cl)c(C(=O)NCc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000737371839 598790626 /nfs/dbraw/zinc/79/06/26/598790626.db2.gz NFBUVYJSGPOFDR-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737801089 598794607 /nfs/dbraw/zinc/79/46/07/598794607.db2.gz RUHPKYMITTYSGE-IQBZNYMQSA-N -1 3 381.386 3.522 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737801089 598794608 /nfs/dbraw/zinc/79/46/08/598794608.db2.gz RUHPKYMITTYSGE-IQBZNYMQSA-N -1 3 381.386 3.522 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111354 598799580 /nfs/dbraw/zinc/79/95/80/598799580.db2.gz DDWVIMBWUVKGLZ-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111354 598799582 /nfs/dbraw/zinc/79/95/82/598799582.db2.gz DDWVIMBWUVKGLZ-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111330 598799848 /nfs/dbraw/zinc/79/98/48/598799848.db2.gz DBVXDBMMRFVFAB-YJYMSZOUSA-N -1 3 394.454 3.907 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111330 598799849 /nfs/dbraw/zinc/79/98/49/598799849.db2.gz DBVXDBMMRFVFAB-YJYMSZOUSA-N -1 3 394.454 3.907 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736374331 598803803 /nfs/dbraw/zinc/80/38/03/598803803.db2.gz FELWMAMVHUVPAQ-LJQANCHMSA-N -1 3 395.463 3.731 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736374331 598803805 /nfs/dbraw/zinc/80/38/05/598803805.db2.gz FELWMAMVHUVPAQ-LJQANCHMSA-N -1 3 395.463 3.731 20 0 GHADHM CCC[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736419650 598804177 /nfs/dbraw/zinc/80/41/77/598804177.db2.gz NJNBBGDIPPFHJE-OAHLLOKOSA-N -1 3 381.455 3.971 20 0 GHADHM CCC[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736419650 598804178 /nfs/dbraw/zinc/80/41/78/598804178.db2.gz NJNBBGDIPPFHJE-OAHLLOKOSA-N -1 3 381.455 3.971 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820174671 607367190 /nfs/dbraw/zinc/36/71/90/607367190.db2.gz VOBKUMQILDJIHO-NSHDSACASA-N -1 3 388.522 3.763 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820174671 607367191 /nfs/dbraw/zinc/36/71/91/607367191.db2.gz VOBKUMQILDJIHO-NSHDSACASA-N -1 3 388.522 3.763 20 0 GHADHM Cn1cc(Cl)cc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737610395 598821742 /nfs/dbraw/zinc/82/17/42/598821742.db2.gz ORRDCLPXAXWJDU-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cn1cc(Cl)cc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737610395 598821744 /nfs/dbraw/zinc/82/17/44/598821744.db2.gz ORRDCLPXAXWJDU-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736422744 598822431 /nfs/dbraw/zinc/82/24/31/598822431.db2.gz OWNPTVZUINURKM-GOSISDBHSA-N -1 3 396.539 3.512 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736422744 598822432 /nfs/dbraw/zinc/82/24/32/598822432.db2.gz OWNPTVZUINURKM-GOSISDBHSA-N -1 3 396.539 3.512 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC000822208389 599297979 /nfs/dbraw/zinc/29/79/79/599297979.db2.gz PMMOVPDPSFAJAC-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822208389 599297982 /nfs/dbraw/zinc/29/79/82/599297982.db2.gz PMMOVPDPSFAJAC-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000737062443 599303701 /nfs/dbraw/zinc/30/37/01/599303701.db2.gz MKNVCHOGETUVPZ-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000737062443 599303704 /nfs/dbraw/zinc/30/37/04/599303704.db2.gz MKNVCHOGETUVPZ-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000738384581 599306818 /nfs/dbraw/zinc/30/68/18/599306818.db2.gz UGFDPHCBPPCPLZ-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000738384581 599306821 /nfs/dbraw/zinc/30/68/21/599306821.db2.gz UGFDPHCBPPCPLZ-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736183101 599307905 /nfs/dbraw/zinc/30/79/05/599307905.db2.gz QVZOKRUPEXPKHH-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736183101 599307908 /nfs/dbraw/zinc/30/79/08/599307908.db2.gz QVZOKRUPEXPKHH-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(Br)cccc2C1 ZINC000736201286 599312294 /nfs/dbraw/zinc/31/22/94/599312294.db2.gz WPCWVYUMPPNICL-LBPRGKRZSA-N -1 3 384.281 3.749 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(-c2ccc(C)cc2)no1 ZINC000821752999 607368390 /nfs/dbraw/zinc/36/83/90/607368390.db2.gz XSEMMOOQRRGANA-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM C[C@@H](SCc1noc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194189 599326554 /nfs/dbraw/zinc/32/65/54/599326554.db2.gz XKOLDCMXQQECJZ-CYBMUJFWSA-N -1 3 378.461 3.835 20 0 GHADHM C[C@@H](SCc1noc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194189 599326559 /nfs/dbraw/zinc/32/65/59/599326559.db2.gz XKOLDCMXQQECJZ-CYBMUJFWSA-N -1 3 378.461 3.835 20 0 GHADHM Cc1c(CSC(C)C)cccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737215337 599330831 /nfs/dbraw/zinc/33/08/31/599330831.db2.gz HMBDTBVALNROSP-UHFFFAOYSA-N -1 3 396.520 3.867 20 0 GHADHM Cc1c(CSC(C)C)cccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737215337 599330833 /nfs/dbraw/zinc/33/08/33/599330833.db2.gz HMBDTBVALNROSP-UHFFFAOYSA-N -1 3 396.520 3.867 20 0 GHADHM Cc1cc(C(=O)CSc2ccccc2-c2nnn[n-]2)c(C)n1Cc1ccco1 ZINC000822168858 599345194 /nfs/dbraw/zinc/34/51/94/599345194.db2.gz TYNHSWHAWOAGJD-UHFFFAOYSA-N -1 3 393.472 3.901 20 0 GHADHM Cc1cc(C(=O)CSc2ccccc2-c2nn[n-]n2)c(C)n1Cc1ccco1 ZINC000822168858 599345197 /nfs/dbraw/zinc/34/51/97/599345197.db2.gz TYNHSWHAWOAGJD-UHFFFAOYSA-N -1 3 393.472 3.901 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820316951 599346128 /nfs/dbraw/zinc/34/61/28/599346128.db2.gz XWXMBVLRXPCSCR-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820316951 599346130 /nfs/dbraw/zinc/34/61/30/599346130.db2.gz XWXMBVLRXPCSCR-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737801035 599346824 /nfs/dbraw/zinc/34/68/24/599346824.db2.gz LJCMXQYSSTTXPD-VAWYXSNFSA-N -1 3 377.452 3.680 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737801035 599346827 /nfs/dbraw/zinc/34/68/27/599346827.db2.gz LJCMXQYSSTTXPD-VAWYXSNFSA-N -1 3 377.452 3.680 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccc(Cl)cn1 ZINC000738210592 599373156 /nfs/dbraw/zinc/37/31/56/599373156.db2.gz RTEFNJCDOUKECV-UHFFFAOYSA-N -1 3 388.884 3.888 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccc(Cl)cn1 ZINC000738210592 599373159 /nfs/dbraw/zinc/37/31/59/599373159.db2.gz RTEFNJCDOUKECV-UHFFFAOYSA-N -1 3 388.884 3.888 20 0 GHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCOCC1 ZINC000822209534 599379144 /nfs/dbraw/zinc/37/91/44/599379144.db2.gz MTEZULOZSBBGFN-OAHLLOKOSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCOCC1 ZINC000822209534 599379148 /nfs/dbraw/zinc/37/91/48/599379148.db2.gz MTEZULOZSBBGFN-OAHLLOKOSA-N -1 3 379.464 3.906 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC000820455999 599386870 /nfs/dbraw/zinc/38/68/70/599386870.db2.gz OZEQKSXDFMEYHX-LBPRGKRZSA-N -1 3 399.426 3.940 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000820455999 599386872 /nfs/dbraw/zinc/38/68/72/599386872.db2.gz OZEQKSXDFMEYHX-LBPRGKRZSA-N -1 3 399.426 3.940 20 0 GHADHM C[C@H](N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404480 599387999 /nfs/dbraw/zinc/38/79/99/599387999.db2.gz WHCHEBYSTXCNPP-KKSFZXQISA-N -1 3 398.470 3.897 20 0 GHADHM C[C@H](NCc1csc(COc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438882 599395507 /nfs/dbraw/zinc/39/55/07/599395507.db2.gz YOTRPCUMBJEHEA-AWEZNQCLSA-N -1 3 392.488 3.753 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820433507 599403306 /nfs/dbraw/zinc/40/33/06/599403306.db2.gz YHZRCRVVWBVTIH-AWEZNQCLSA-N -1 3 388.431 3.563 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820433507 599403307 /nfs/dbraw/zinc/40/33/07/599403307.db2.gz YHZRCRVVWBVTIH-AWEZNQCLSA-N -1 3 388.431 3.563 20 0 GHADHM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737076892 599412005 /nfs/dbraw/zinc/41/20/05/599412005.db2.gz SOUVVVSQCKUSHG-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737076892 599412007 /nfs/dbraw/zinc/41/20/07/599412007.db2.gz SOUVVVSQCKUSHG-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM CCOc1c(OC)cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000736627731 599421720 /nfs/dbraw/zinc/42/17/20/599421720.db2.gz MLCNXDAFNQOXRQ-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1c(OC)cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000736627731 599421722 /nfs/dbraw/zinc/42/17/22/599421722.db2.gz MLCNXDAFNQOXRQ-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM C[C@@H](NC(=O)NCCC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366930 599422106 /nfs/dbraw/zinc/42/21/06/599422106.db2.gz PUMABYFJYAFNLL-OAHLLOKOSA-N -1 3 378.480 3.595 20 0 GHADHM C[C@@H](NC(=O)NCCC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366930 599422107 /nfs/dbraw/zinc/42/21/07/599422107.db2.gz PUMABYFJYAFNLL-OAHLLOKOSA-N -1 3 378.480 3.595 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350465 599422646 /nfs/dbraw/zinc/42/26/46/599422646.db2.gz LDTUFBFQVAKSLI-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350465 599422648 /nfs/dbraw/zinc/42/26/48/599422648.db2.gz LDTUFBFQVAKSLI-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358843 599422654 /nfs/dbraw/zinc/42/26/54/599422654.db2.gz PLLIUKDSOFACIM-BEVDRBHNSA-N -1 3 390.491 3.953 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358843 599422657 /nfs/dbraw/zinc/42/26/57/599422657.db2.gz PLLIUKDSOFACIM-BEVDRBHNSA-N -1 3 390.491 3.953 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(Cl)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820373876 599425630 /nfs/dbraw/zinc/42/56/30/599425630.db2.gz KRZLGGXQMWOGFH-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820373876 599425632 /nfs/dbraw/zinc/42/56/32/599425632.db2.gz KRZLGGXQMWOGFH-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357892 599430137 /nfs/dbraw/zinc/43/01/37/599430137.db2.gz KDGUAWVSWJTJRQ-LIRRHRJNSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357892 599430138 /nfs/dbraw/zinc/43/01/38/599430138.db2.gz KDGUAWVSWJTJRQ-LIRRHRJNSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736057633 599463335 /nfs/dbraw/zinc/46/33/35/599463335.db2.gz XQJCXNYLTGVPEV-GFCCVEGCSA-N -1 3 386.912 3.780 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736057633 599463337 /nfs/dbraw/zinc/46/33/37/599463337.db2.gz XQJCXNYLTGVPEV-GFCCVEGCSA-N -1 3 386.912 3.780 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822345827 599467405 /nfs/dbraw/zinc/46/74/05/599467405.db2.gz SVCGKEKWAOXYRK-LJQANCHMSA-N -1 3 396.470 3.901 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822345827 599467407 /nfs/dbraw/zinc/46/74/07/599467407.db2.gz SVCGKEKWAOXYRK-LJQANCHMSA-N -1 3 396.470 3.901 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340883 599473427 /nfs/dbraw/zinc/47/34/27/599473427.db2.gz NHRMTKLPLORTGA-VXGBXAGGSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340883 599473430 /nfs/dbraw/zinc/47/34/30/599473430.db2.gz NHRMTKLPLORTGA-VXGBXAGGSA-N -1 3 386.406 3.609 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(N2CCCCCC2)nc1 ZINC000822586254 599481150 /nfs/dbraw/zinc/48/11/50/599481150.db2.gz VMSWEMKYLAOTKP-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(N2CCCCCC2)nc1 ZINC000822586254 599481151 /nfs/dbraw/zinc/48/11/51/599481151.db2.gz VMSWEMKYLAOTKP-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233422 599482140 /nfs/dbraw/zinc/48/21/40/599482140.db2.gz OPYYETZHKSWZAN-DNVCBOLYSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233422 599482142 /nfs/dbraw/zinc/48/21/42/599482142.db2.gz OPYYETZHKSWZAN-DNVCBOLYSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356637 599482552 /nfs/dbraw/zinc/48/25/52/599482552.db2.gz WZSRILIENRIYES-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356637 599482555 /nfs/dbraw/zinc/48/25/55/599482555.db2.gz WZSRILIENRIYES-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736056529 599503902 /nfs/dbraw/zinc/50/39/02/599503902.db2.gz OLPXMHQDBMYVSQ-LLVKDONJSA-N -1 3 388.834 3.754 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736056529 599503906 /nfs/dbraw/zinc/50/39/06/599503906.db2.gz OLPXMHQDBMYVSQ-LLVKDONJSA-N -1 3 388.834 3.754 20 0 GHADHM Cc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737215236 599513928 /nfs/dbraw/zinc/51/39/28/599513928.db2.gz FOLXRKKOLONOAQ-SNVBAGLBSA-N -1 3 391.262 3.921 20 0 GHADHM Cc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737215236 599513932 /nfs/dbraw/zinc/51/39/32/599513932.db2.gz FOLXRKKOLONOAQ-SNVBAGLBSA-N -1 3 391.262 3.921 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820005674 599518592 /nfs/dbraw/zinc/51/85/92/599518592.db2.gz WBBJSZNTORZAJE-HNNXBMFYSA-N -1 3 377.448 3.703 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820005674 599518594 /nfs/dbraw/zinc/51/85/94/599518594.db2.gz WBBJSZNTORZAJE-HNNXBMFYSA-N -1 3 377.448 3.703 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000822299684 599529677 /nfs/dbraw/zinc/52/96/77/599529677.db2.gz RFBJIJHSPVZBOO-INIZCTEOSA-N -1 3 375.476 3.864 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000822299684 599529679 /nfs/dbraw/zinc/52/96/79/599529679.db2.gz RFBJIJHSPVZBOO-INIZCTEOSA-N -1 3 375.476 3.864 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155282509 599538083 /nfs/dbraw/zinc/53/80/83/599538083.db2.gz JDMPBUOERSSDDI-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155282509 599538086 /nfs/dbraw/zinc/53/80/86/599538086.db2.gz JDMPBUOERSSDDI-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1coc(-c2ccccc2)n1 ZINC000736480134 599542350 /nfs/dbraw/zinc/54/23/50/599542350.db2.gz KUEVSCQKSCQEIR-UHFFFAOYSA-N -1 3 388.431 3.574 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1coc(-c2ccccc2)n1 ZINC000736480134 599542352 /nfs/dbraw/zinc/54/23/52/599542352.db2.gz KUEVSCQKSCQEIR-UHFFFAOYSA-N -1 3 388.431 3.574 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1CCCCC1 ZINC000823355420 599557009 /nfs/dbraw/zinc/55/70/09/599557009.db2.gz CFHJKRMMDLKXHM-UHFFFAOYSA-N -1 3 382.399 3.816 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1CCCCC1 ZINC000823355420 599557010 /nfs/dbraw/zinc/55/70/10/599557010.db2.gz CFHJKRMMDLKXHM-UHFFFAOYSA-N -1 3 382.399 3.816 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820684205 599557550 /nfs/dbraw/zinc/55/75/50/599557550.db2.gz NFMUUAFXYRMLSP-CHWSQXEVSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820684205 599557554 /nfs/dbraw/zinc/55/75/54/599557554.db2.gz NFMUUAFXYRMLSP-CHWSQXEVSA-N -1 3 397.508 3.566 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737327754 599558070 /nfs/dbraw/zinc/55/80/70/599558070.db2.gz AFLGGOJFSZDMBQ-KKSFZXQISA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737327754 599558072 /nfs/dbraw/zinc/55/80/72/599558072.db2.gz AFLGGOJFSZDMBQ-KKSFZXQISA-N -1 3 391.475 3.554 20 0 GHADHM CCCN(Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104761 599564271 /nfs/dbraw/zinc/56/42/71/599564271.db2.gz PNGFLRUXLODYGB-UHFFFAOYSA-N -1 3 391.454 3.604 20 0 GHADHM Clc1ccc(-c2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)o2)s1 ZINC000822567416 599578052 /nfs/dbraw/zinc/57/80/52/599578052.db2.gz AXWPXAKCZIYJMK-UHFFFAOYSA-N -1 3 398.260 3.831 20 0 GHADHM Clc1ccc(-c2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)o2)s1 ZINC000822567416 599578054 /nfs/dbraw/zinc/57/80/54/599578054.db2.gz AXWPXAKCZIYJMK-UHFFFAOYSA-N -1 3 398.260 3.831 20 0 GHADHM C[C@H](Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OC(C)(C)C ZINC000736137150 599598510 /nfs/dbraw/zinc/59/85/10/599598510.db2.gz KLPMKSBCQXLHIT-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H](Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OC(C)(C)C ZINC000736137150 599598512 /nfs/dbraw/zinc/59/85/12/599598512.db2.gz KLPMKSBCQXLHIT-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1nccs1 ZINC000736360497 599614203 /nfs/dbraw/zinc/61/42/03/599614203.db2.gz CXWBNSOEFMOYCW-INIZCTEOSA-N -1 3 399.524 3.642 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1nccs1 ZINC000736360497 599614205 /nfs/dbraw/zinc/61/42/05/599614205.db2.gz CXWBNSOEFMOYCW-INIZCTEOSA-N -1 3 399.524 3.642 20 0 GHADHM C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(F)(F)F ZINC000820513247 599627789 /nfs/dbraw/zinc/62/77/89/599627789.db2.gz YGPRZMKTJUDOKA-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(F)(F)F ZINC000820513247 599627790 /nfs/dbraw/zinc/62/77/90/599627790.db2.gz YGPRZMKTJUDOKA-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM COc1cccc([C@H](C)OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859734 599628067 /nfs/dbraw/zinc/62/80/67/599628067.db2.gz SBUNMAAIIFQSFL-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM COc1cccc([C@H](C)OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859734 599628068 /nfs/dbraw/zinc/62/80/68/599628068.db2.gz SBUNMAAIIFQSFL-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c(-c2nnn[n-]2)c1C ZINC000822557861 599628901 /nfs/dbraw/zinc/62/89/01/599628901.db2.gz KHALBEHIERLRCG-QRWLVFNGSA-N -1 3 379.489 3.778 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c(-c2nn[n-]n2)c1C ZINC000822557861 599628902 /nfs/dbraw/zinc/62/89/02/599628902.db2.gz KHALBEHIERLRCG-QRWLVFNGSA-N -1 3 379.489 3.778 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000821389333 599629521 /nfs/dbraw/zinc/62/95/21/599629521.db2.gz JKGNJBVEDLBVAZ-JTQLQIEISA-N -1 3 376.800 3.529 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000821389333 599629522 /nfs/dbraw/zinc/62/95/22/599629522.db2.gz JKGNJBVEDLBVAZ-JTQLQIEISA-N -1 3 376.800 3.529 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820937922 599630336 /nfs/dbraw/zinc/63/03/36/599630336.db2.gz FIAPXJNOWDGJOP-BPUTZDHNSA-N -1 3 388.516 3.736 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820937922 599630337 /nfs/dbraw/zinc/63/03/37/599630337.db2.gz FIAPXJNOWDGJOP-BPUTZDHNSA-N -1 3 388.516 3.736 20 0 GHADHM O=C(Cc1cc(F)ccc1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823073835 599630904 /nfs/dbraw/zinc/63/09/04/599630904.db2.gz FFJRGNGQWLTSDD-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM O=C(Cc1cc(F)ccc1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823073835 599630905 /nfs/dbraw/zinc/63/09/05/599630905.db2.gz FFJRGNGQWLTSDD-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822258807 599633637 /nfs/dbraw/zinc/63/36/37/599633637.db2.gz DBIYBBSDOFPIQJ-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822258807 599633638 /nfs/dbraw/zinc/63/36/38/599633638.db2.gz DBIYBBSDOFPIQJ-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM O=C(COc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823055829 599634006 /nfs/dbraw/zinc/63/40/06/599634006.db2.gz XCNNYFWEPKKNRP-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823055829 599634007 /nfs/dbraw/zinc/63/40/07/599634007.db2.gz XCNNYFWEPKKNRP-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000822263677 599634997 /nfs/dbraw/zinc/63/49/97/599634997.db2.gz WQVGWPDPDMIQIW-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000822263677 599634998 /nfs/dbraw/zinc/63/49/98/599634998.db2.gz WQVGWPDPDMIQIW-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM c1coc(CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc2)c1 ZINC000823787641 599638041 /nfs/dbraw/zinc/63/80/41/599638041.db2.gz OCNJLBRALYIUNI-UHFFFAOYSA-N -1 3 399.414 3.717 20 0 GHADHM c1coc(CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc2)c1 ZINC000823787641 599638042 /nfs/dbraw/zinc/63/80/42/599638042.db2.gz OCNJLBRALYIUNI-UHFFFAOYSA-N -1 3 399.414 3.717 20 0 GHADHM CC[C@@H](NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1nc(C(F)(F)F)cs1 ZINC000820925608 599647106 /nfs/dbraw/zinc/64/71/06/599647106.db2.gz KIBVIICRUVEENP-LLVKDONJSA-N -1 3 398.414 3.592 20 0 GHADHM CC[C@@H](NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1nc(C(F)(F)F)cs1 ZINC000820925608 599647107 /nfs/dbraw/zinc/64/71/07/599647107.db2.gz KIBVIICRUVEENP-LLVKDONJSA-N -1 3 398.414 3.592 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820967689 599655925 /nfs/dbraw/zinc/65/59/25/599655925.db2.gz TUUIUZAELRNQMP-BEFAXECRSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820967689 599655926 /nfs/dbraw/zinc/65/59/26/599655926.db2.gz TUUIUZAELRNQMP-BEFAXECRSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820902218 599661565 /nfs/dbraw/zinc/66/15/65/599661565.db2.gz IPWBPUUZWNLQDJ-ZBFHGGJFSA-N -1 3 399.495 3.734 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820902218 599661566 /nfs/dbraw/zinc/66/15/66/599661566.db2.gz IPWBPUUZWNLQDJ-ZBFHGGJFSA-N -1 3 399.495 3.734 20 0 GHADHM CCCCCC[C@@H](C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821048940 599665019 /nfs/dbraw/zinc/66/50/19/599665019.db2.gz GXFRURDFNZXRRM-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCCC[C@@H](C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821048940 599665020 /nfs/dbraw/zinc/66/50/20/599665020.db2.gz GXFRURDFNZXRRM-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822432085 599670800 /nfs/dbraw/zinc/67/08/00/599670800.db2.gz WCVGVGJVHFKCKT-UHFFFAOYSA-N -1 3 387.440 3.785 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822432085 599670801 /nfs/dbraw/zinc/67/08/01/599670801.db2.gz WCVGVGJVHFKCKT-UHFFFAOYSA-N -1 3 387.440 3.785 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358000 599673589 /nfs/dbraw/zinc/67/35/89/599673589.db2.gz LGMNZGKCMFMGOP-AWEZNQCLSA-N -1 3 394.454 3.836 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358000 599673590 /nfs/dbraw/zinc/67/35/90/599673590.db2.gz LGMNZGKCMFMGOP-AWEZNQCLSA-N -1 3 394.454 3.836 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822233156 599675177 /nfs/dbraw/zinc/67/51/77/599675177.db2.gz ITWGMEOJPBJGJK-SJCJKPOMSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822233156 599675178 /nfs/dbraw/zinc/67/51/78/599675178.db2.gz ITWGMEOJPBJGJK-SJCJKPOMSA-N -1 3 398.442 3.590 20 0 GHADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823146635 599676683 /nfs/dbraw/zinc/67/66/83/599676683.db2.gz XLPCHOMBGNNJCD-OALUTQOASA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823146635 599676684 /nfs/dbraw/zinc/67/66/84/599676684.db2.gz XLPCHOMBGNNJCD-OALUTQOASA-N -1 3 380.496 3.510 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000821105051 599677907 /nfs/dbraw/zinc/67/79/07/599677907.db2.gz WNMMTBDYFIOJJI-NZSAHSFTSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000821105051 599677908 /nfs/dbraw/zinc/67/79/08/599677908.db2.gz WNMMTBDYFIOJJI-NZSAHSFTSA-N -1 3 382.512 3.757 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821612270 599678011 /nfs/dbraw/zinc/67/80/11/599678011.db2.gz PCFIDHVXNMCKHS-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821612270 599678012 /nfs/dbraw/zinc/67/80/12/599678012.db2.gz PCFIDHVXNMCKHS-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM C[C@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357723 599682452 /nfs/dbraw/zinc/68/24/52/599682452.db2.gz JJVQVPSUJUBTQJ-BZUNDVKYSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357723 599682453 /nfs/dbraw/zinc/68/24/53/599682453.db2.gz JJVQVPSUJUBTQJ-BZUNDVKYSA-N -1 3 396.417 3.596 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000820187657 607393377 /nfs/dbraw/zinc/39/33/77/607393377.db2.gz LGWBDWBWNXUONO-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000820187657 607393379 /nfs/dbraw/zinc/39/33/79/607393379.db2.gz LGWBDWBWNXUONO-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000826278150 607393682 /nfs/dbraw/zinc/39/36/82/607393682.db2.gz SFAUPOHDJFKMTJ-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000826278150 607393684 /nfs/dbraw/zinc/39/36/84/607393684.db2.gz SFAUPOHDJFKMTJ-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM CC(C)N(Cc1cc(C(=O)[O-])co1)C[C@@H](O)COc1cccc2ccccc21 ZINC000736472335 599814612 /nfs/dbraw/zinc/81/46/12/599814612.db2.gz UFKHIJWQGUUIJR-GOSISDBHSA-N -1 3 383.444 3.781 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(-c3ccccn3)c2)cccc1-c1nnn[n-]1 ZINC000826241594 607396248 /nfs/dbraw/zinc/39/62/48/607396248.db2.gz IIDRPZRGQIICCU-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(-c3ccccn3)c2)cccc1-c1nn[n-]n1 ZINC000826241594 607396249 /nfs/dbraw/zinc/39/62/49/607396249.db2.gz IIDRPZRGQIICCU-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000822351596 607397725 /nfs/dbraw/zinc/39/77/25/607397725.db2.gz OZCDNTYXNVXUCZ-UHFFFAOYSA-N -1 3 377.448 3.633 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000822351596 607397727 /nfs/dbraw/zinc/39/77/27/607397727.db2.gz OZCDNTYXNVXUCZ-UHFFFAOYSA-N -1 3 377.448 3.633 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000738598737 599828682 /nfs/dbraw/zinc/82/86/82/599828682.db2.gz KJDNKAIJXQLPMJ-HXUWFJFHSA-N -1 3 381.476 3.662 20 0 GHADHM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000740096547 599850284 /nfs/dbraw/zinc/85/02/84/599850284.db2.gz JWMXIFMTBNUQQY-IBGZPJMESA-N -1 3 389.455 3.784 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1-c1nnn[n-]1 ZINC000820169620 607402230 /nfs/dbraw/zinc/40/22/30/607402230.db2.gz KTEYUQCAHRTMLK-UHFFFAOYSA-N -1 3 381.223 3.541 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1-c1nn[n-]n1 ZINC000820169620 607402232 /nfs/dbraw/zinc/40/22/32/607402232.db2.gz KTEYUQCAHRTMLK-UHFFFAOYSA-N -1 3 381.223 3.541 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc3ncsc3c2)cc1-c1nnn[n-]1 ZINC000820174754 607402662 /nfs/dbraw/zinc/40/26/62/607402662.db2.gz XHLRUCLIKFQOIP-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc3ncsc3c2)cc1-c1nn[n-]n1 ZINC000820174754 607402663 /nfs/dbraw/zinc/40/26/63/607402663.db2.gz XHLRUCLIKFQOIP-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)COc1c(Cl)cccc1Cl ZINC000826254104 607411881 /nfs/dbraw/zinc/41/18/81/607411881.db2.gz UOLVAJCMZPVHBA-UHFFFAOYSA-N -1 3 393.230 3.604 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)COc1c(Cl)cccc1Cl ZINC000826254104 607411883 /nfs/dbraw/zinc/41/18/83/607411883.db2.gz UOLVAJCMZPVHBA-UHFFFAOYSA-N -1 3 393.230 3.604 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000826427798 607418205 /nfs/dbraw/zinc/41/82/05/607418205.db2.gz BBWSXPYMBUAGCI-SFTDATJTSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000826427798 607418207 /nfs/dbraw/zinc/41/82/07/607418207.db2.gz BBWSXPYMBUAGCI-SFTDATJTSA-N -1 3 395.466 3.929 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826316392 607432617 /nfs/dbraw/zinc/43/26/17/607432617.db2.gz MSAWEKAHFRHSLT-RYUDHWBXSA-N -1 3 393.394 3.998 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826316392 607432619 /nfs/dbraw/zinc/43/26/19/607432619.db2.gz MSAWEKAHFRHSLT-RYUDHWBXSA-N -1 3 393.394 3.998 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000822235955 607434272 /nfs/dbraw/zinc/43/42/72/607434272.db2.gz DCTXPQPQEYZTNP-UHFFFAOYSA-N -1 3 396.451 3.752 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000822235955 607434273 /nfs/dbraw/zinc/43/42/73/607434273.db2.gz DCTXPQPQEYZTNP-UHFFFAOYSA-N -1 3 396.451 3.752 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824040656 607434461 /nfs/dbraw/zinc/43/44/61/607434461.db2.gz RZAJVEHATUGJEQ-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824040656 607434463 /nfs/dbraw/zinc/43/44/63/607434463.db2.gz RZAJVEHATUGJEQ-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736633087 600309146 /nfs/dbraw/zinc/30/91/46/600309146.db2.gz KFQKTOPXZVNXCK-RZQQEMMASA-N -1 3 380.488 3.592 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825830793 607787637 /nfs/dbraw/zinc/78/76/37/607787637.db2.gz XTZLWHLEJRORRO-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM O=C([O-])[C@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc(Cl)c1 ZINC000426741160 600428428 /nfs/dbraw/zinc/42/84/28/600428428.db2.gz KKJOGDFSQAEDIQ-CQSZACIVSA-N -1 3 398.640 3.747 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000737331376 600543113 /nfs/dbraw/zinc/54/31/13/600543113.db2.gz IQRUOABACBMXOQ-IBGZPJMESA-N -1 3 382.464 3.587 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826283098 607455481 /nfs/dbraw/zinc/45/54/81/607455481.db2.gz KGBRMGBRJNVOOC-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826283098 607455483 /nfs/dbraw/zinc/45/54/83/607455483.db2.gz KGBRMGBRJNVOOC-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736815669 600743266 /nfs/dbraw/zinc/74/32/66/600743266.db2.gz VQGFDOQBZNFEQS-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM CC(C)Oc1ccc(NCc2noc(C3CCCCC3)n2)cc1-c1nnn[n-]1 ZINC000820173833 607469308 /nfs/dbraw/zinc/46/93/08/607469308.db2.gz LAFBKBAOODQISG-UHFFFAOYSA-N -1 3 383.456 3.697 20 0 GHADHM CC(C)Oc1ccc(NCc2noc(C3CCCCC3)n2)cc1-c1nn[n-]n1 ZINC000820173833 607469309 /nfs/dbraw/zinc/46/93/09/607469309.db2.gz LAFBKBAOODQISG-UHFFFAOYSA-N -1 3 383.456 3.697 20 0 GHADHM O=C([O-])[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000740288513 600804687 /nfs/dbraw/zinc/80/46/87/600804687.db2.gz BKIREYVILLEZNK-IBGZPJMESA-N -1 3 387.863 3.921 20 0 GHADHM O=C([O-])CCN(Cc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000647366748 600858712 /nfs/dbraw/zinc/85/87/12/600858712.db2.gz JYKNAOWVGDGZMO-UHFFFAOYSA-N -1 3 376.678 3.558 20 0 GHADHM Fc1cccc(Oc2ncccc2CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822791647 607474225 /nfs/dbraw/zinc/47/42/25/607474225.db2.gz KIQIJUYGMOATCF-UHFFFAOYSA-N -1 3 394.385 3.622 20 0 GHADHM Fc1cccc(Oc2ncccc2CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822791647 607474227 /nfs/dbraw/zinc/47/42/27/607474227.db2.gz KIQIJUYGMOATCF-UHFFFAOYSA-N -1 3 394.385 3.622 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2cn3ccccc3n2)cc1 ZINC000822743854 607475663 /nfs/dbraw/zinc/47/56/63/607475663.db2.gz GWJJENLXFSBKOB-UHFFFAOYSA-N -1 3 385.406 3.933 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2cn3ccccc3n2)cc1 ZINC000822743854 607475665 /nfs/dbraw/zinc/47/56/65/607475665.db2.gz GWJJENLXFSBKOB-UHFFFAOYSA-N -1 3 385.406 3.933 20 0 GHADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000826118847 601087369 /nfs/dbraw/zinc/08/73/69/601087369.db2.gz YYOBBJHNFXHDBS-UHFFFAOYSA-N -1 3 387.524 3.779 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)CC2)CC1 ZINC000828225464 601092452 /nfs/dbraw/zinc/09/24/52/601092452.db2.gz ANIFFNLIWATJMF-UHFFFAOYSA-N -1 3 387.524 3.777 20 0 GHADHM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830500698 601133996 /nfs/dbraw/zinc/13/39/96/601133996.db2.gz VOBNZUKKAMHPKY-FQEVSTJZSA-N -1 3 396.491 3.583 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000826055264 601202926 /nfs/dbraw/zinc/20/29/26/601202926.db2.gz XQJBLFMYZANIES-SJCJKPOMSA-N -1 3 380.366 3.696 20 0 GHADHM CCN(C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1nc2ccccc2s1 ZINC000829596992 601204454 /nfs/dbraw/zinc/20/44/54/601204454.db2.gz GWJBMHYVWVWBNF-LIRRHRJNSA-N -1 3 397.500 3.701 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820292428 607498098 /nfs/dbraw/zinc/49/80/98/607498098.db2.gz FWLBPVRPYIBZIR-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820292428 607498100 /nfs/dbraw/zinc/49/81/00/607498100.db2.gz FWLBPVRPYIBZIR-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM Cc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000832949245 601338973 /nfs/dbraw/zinc/33/89/73/601338973.db2.gz RIBHIBGADDWGJO-UHFFFAOYSA-N -1 3 383.517 3.644 20 0 GHADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825019950 607512114 /nfs/dbraw/zinc/51/21/14/607512114.db2.gz HMKKTIGLGMUQOJ-SNVBAGLBSA-N -1 3 375.263 3.688 20 0 GHADHM Cc1cc(F)ccc1N(Cc1nccs1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826268786 607520248 /nfs/dbraw/zinc/52/02/48/607520248.db2.gz NMWGSLJSCUGTTC-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM Cc1cc(F)ccc1N(Cc1nccs1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826268786 607520250 /nfs/dbraw/zinc/52/02/50/607520250.db2.gz NMWGSLJSCUGTTC-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000833032726 601647673 /nfs/dbraw/zinc/64/76/73/601647673.db2.gz MYBVKDUBGPAPEE-HNNXBMFYSA-N -1 3 377.510 3.572 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000824114132 607522110 /nfs/dbraw/zinc/52/21/10/607522110.db2.gz JXFOCWDIZODMQZ-UHFFFAOYSA-N -1 3 384.465 3.901 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000824114132 607522111 /nfs/dbraw/zinc/52/21/11/607522111.db2.gz JXFOCWDIZODMQZ-UHFFFAOYSA-N -1 3 384.465 3.901 20 0 GHADHM COc1cc(OC)c(C2CCN(Cc3ccsc3C(=O)[O-])CC2)c(OC)c1 ZINC000530164609 601805235 /nfs/dbraw/zinc/80/52/35/601805235.db2.gz RMRGQAHBDWZZOL-UHFFFAOYSA-N -1 3 391.489 3.852 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC(CCC(=O)[O-])CC1 ZINC000662216950 601844053 /nfs/dbraw/zinc/84/40/53/601844053.db2.gz BDUWJJUTPOIWGD-DLBZAZTESA-N -1 3 382.504 3.982 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@](C)(C(=O)[O-])C3)cs2)cc1OC ZINC000263206182 601912361 /nfs/dbraw/zinc/91/23/61/601912361.db2.gz VXNTXGIFWYLRJX-IBGZPJMESA-N -1 3 376.478 3.514 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)cc1 ZINC000832944464 601951038 /nfs/dbraw/zinc/95/10/38/601951038.db2.gz FMVZYEIGDJFGSB-OAHLLOKOSA-N -1 3 387.505 3.788 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc(Br)c2)C(=O)[O-])c1 ZINC000832048797 602165347 /nfs/dbraw/zinc/16/53/47/602165347.db2.gz ANWXNKOPADDLQZ-GTNSWQLSSA-N -1 3 394.265 3.943 20 0 GHADHM CN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830500823 602366690 /nfs/dbraw/zinc/36/66/90/602366690.db2.gz WKWFDVXNPYIANF-HXUWFJFHSA-N -1 3 395.503 3.787 20 0 GHADHM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000738817704 602406761 /nfs/dbraw/zinc/40/67/61/602406761.db2.gz SUUFBAQCQJKRDE-NVXWUHKLSA-N -1 3 390.459 3.943 20 0 GHADHM O=C([O-])N1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000740517929 602594848 /nfs/dbraw/zinc/59/48/48/602594848.db2.gz BEXVJYFGDUFGBK-KRWDZBQOSA-N -1 3 375.856 3.546 20 0 GHADHM Cc1ccc(NC(=O)[C@H](NC2CCC(NC(=O)[O-])CC2)c2ccccc2)cc1 ZINC000740132426 603088800 /nfs/dbraw/zinc/08/88/00/603088800.db2.gz AGEVALSZUDCLBK-LYBXBRPPSA-N -1 3 381.476 3.843 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739609377 603101822 /nfs/dbraw/zinc/10/18/22/603101822.db2.gz ANPAYYPTIHRPOI-UHFFFAOYSA-N -1 3 393.443 3.783 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000740700017 603214525 /nfs/dbraw/zinc/21/45/25/603214525.db2.gz ZIYKWYYTHXGHCE-SFHVURJKSA-N -1 3 387.867 3.997 20 0 GHADHM COc1ccc(CNC(=O)Nc2c(C)cccc2C(C)C)cc1-c1nnn[n-]1 ZINC000826200458 607617657 /nfs/dbraw/zinc/61/76/57/607617657.db2.gz QQACMMQVFTYVIF-UHFFFAOYSA-N -1 3 380.452 3.629 20 0 GHADHM COc1ccc(CNC(=O)Nc2c(C)cccc2C(C)C)cc1-c1nn[n-]n1 ZINC000826200458 607617658 /nfs/dbraw/zinc/61/76/58/607617658.db2.gz QQACMMQVFTYVIF-UHFFFAOYSA-N -1 3 380.452 3.629 20 0 GHADHM CC[C@@H](CNC(=O)c1ccc(C)c(NC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000826587100 603311496 /nfs/dbraw/zinc/31/14/96/603311496.db2.gz NPYXKPGDVMXEQI-IBGZPJMESA-N -1 3 381.476 3.652 20 0 GHADHM S=C(NCc1cccs1)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000826512117 607648851 /nfs/dbraw/zinc/64/88/51/607648851.db2.gz OYXFUYQXWOSNIQ-UHFFFAOYSA-N -1 3 398.561 3.748 20 0 GHADHM S=C(NCc1cccs1)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000826512117 607648853 /nfs/dbraw/zinc/64/88/53/607648853.db2.gz OYXFUYQXWOSNIQ-UHFFFAOYSA-N -1 3 398.561 3.748 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000826250085 607654953 /nfs/dbraw/zinc/65/49/53/607654953.db2.gz KEKDDLUWLWBRLG-UHFFFAOYSA-N -1 3 387.447 3.504 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000826250085 607654955 /nfs/dbraw/zinc/65/49/55/607654955.db2.gz KEKDDLUWLWBRLG-UHFFFAOYSA-N -1 3 387.447 3.504 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000826245562 607680397 /nfs/dbraw/zinc/68/03/97/607680397.db2.gz BJFRPVGHPZURBG-UHFFFAOYSA-N -1 3 388.258 3.680 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000826245562 607680398 /nfs/dbraw/zinc/68/03/98/607680398.db2.gz BJFRPVGHPZURBG-UHFFFAOYSA-N -1 3 388.258 3.680 20 0 GHADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000827717758 604291010 /nfs/dbraw/zinc/29/10/10/604291010.db2.gz LRZGWDCDSPSDDQ-UWVGGRQHSA-N -1 3 380.338 3.682 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000826243311 607685089 /nfs/dbraw/zinc/68/50/89/607685089.db2.gz CNAXQHFPCQFLKH-OAHLLOKOSA-N -1 3 375.354 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000826243311 607685091 /nfs/dbraw/zinc/68/50/91/607685091.db2.gz CNAXQHFPCQFLKH-OAHLLOKOSA-N -1 3 375.354 3.551 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccccc2C(F)(F)F)c1 ZINC000832041109 604455202 /nfs/dbraw/zinc/45/52/02/604455202.db2.gz NZFUUDIYOWCYNB-QGZVFWFLSA-N -1 3 383.366 3.980 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccc(SC)c(OC)c2)c1 ZINC000514609622 604461403 /nfs/dbraw/zinc/46/14/03/604461403.db2.gz MKGHDKQBOUYENL-IBGZPJMESA-N -1 3 391.489 3.692 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000574406694 604476172 /nfs/dbraw/zinc/47/61/72/604476172.db2.gz SJONITGHUAYKPE-OAQYLSRUSA-N -1 3 385.460 3.681 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000826246407 607700574 /nfs/dbraw/zinc/70/05/74/607700574.db2.gz CQACNLSTTIXQBG-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000826246407 607700575 /nfs/dbraw/zinc/70/05/75/607700575.db2.gz CQACNLSTTIXQBG-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000826244356 607701818 /nfs/dbraw/zinc/70/18/18/607701818.db2.gz PDQLTUUSWRODPF-QFIPXVFZSA-N -1 3 375.476 3.660 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000826244356 607701820 /nfs/dbraw/zinc/70/18/20/607701820.db2.gz PDQLTUUSWRODPF-QFIPXVFZSA-N -1 3 375.476 3.660 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1O ZINC000826290949 607707532 /nfs/dbraw/zinc/70/75/32/607707532.db2.gz IBVRKAKDWDOGDJ-UHFFFAOYSA-N -1 3 386.415 3.877 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825694552 607708727 /nfs/dbraw/zinc/70/87/27/607708727.db2.gz UBOHYBKYPWDOQC-UHFFFAOYSA-N -1 3 386.253 3.752 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825694552 607708729 /nfs/dbraw/zinc/70/87/29/607708729.db2.gz UBOHYBKYPWDOQC-UHFFFAOYSA-N -1 3 386.253 3.752 20 0 GHADHM Cc1cc(CSc2ccc(-c3nnn[n-]3)cn2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267478 607711681 /nfs/dbraw/zinc/71/16/81/607711681.db2.gz HSQOEWIUEDYQEN-UHFFFAOYSA-N -1 3 395.879 3.973 20 0 GHADHM Cc1cc(CSc2ccc(-c3nn[n-]n3)cn2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267478 607711683 /nfs/dbraw/zinc/71/16/83/607711683.db2.gz HSQOEWIUEDYQEN-UHFFFAOYSA-N -1 3 395.879 3.973 20 0 GHADHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000833771166 604763269 /nfs/dbraw/zinc/76/32/69/604763269.db2.gz XENPPMJUJQXZFJ-KRWDZBQOSA-N -1 3 384.259 3.911 20 0 GHADHM COCCN(CCC(=O)[O-])Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000831730147 604765179 /nfs/dbraw/zinc/76/51/79/604765179.db2.gz ZQKZBFRYFXCOQV-UHFFFAOYSA-N -1 3 393.896 3.639 20 0 GHADHM Cc1sc2nc([C@H](C)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)nc(N)c2c1C ZINC000833758674 605059038 /nfs/dbraw/zinc/05/90/38/605059038.db2.gz LMFGIFAZIUVMAS-AAEUAGOBSA-N -1 3 376.526 3.774 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(Br)c1OC(F)F)CC2 ZINC000516076294 605068738 /nfs/dbraw/zinc/06/87/38/605068738.db2.gz NXMHGONRLVSAMI-NSHDSACASA-N -1 3 390.224 3.737 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824394881 607732997 /nfs/dbraw/zinc/73/29/97/607732997.db2.gz ZOHXCPFLWCVOLN-NOZJJQNGSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824394881 607732998 /nfs/dbraw/zinc/73/29/98/607732998.db2.gz ZOHXCPFLWCVOLN-NOZJJQNGSA-N -1 3 383.399 3.871 20 0 GHADHM CC(C)N(Cc1nc(C(F)(F)F)cs1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293316 607738696 /nfs/dbraw/zinc/73/86/96/607738696.db2.gz JQPYBTUHUDPSQW-UHFFFAOYSA-N -1 3 382.415 3.753 20 0 GHADHM CC(C)N(Cc1nc(C(F)(F)F)cs1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293316 607738697 /nfs/dbraw/zinc/73/86/97/607738697.db2.gz JQPYBTUHUDPSQW-UHFFFAOYSA-N -1 3 382.415 3.753 20 0 GHADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCSc1cc(Cl)ccc1Cl ZINC000833629435 605189286 /nfs/dbraw/zinc/18/92/86/605189286.db2.gz WHQWCXCZLYYKNE-LBPRGKRZSA-N -1 3 377.337 3.566 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451735 607750731 /nfs/dbraw/zinc/75/07/31/607750731.db2.gz UIHKHGASAOYKQN-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451735 607750732 /nfs/dbraw/zinc/75/07/32/607750732.db2.gz UIHKHGASAOYKQN-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000824324164 607754853 /nfs/dbraw/zinc/75/48/53/607754853.db2.gz JABTZLWJMVVWSW-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000824324164 607754854 /nfs/dbraw/zinc/75/48/54/607754854.db2.gz JABTZLWJMVVWSW-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2C)cc1-c1nnn[n-]1 ZINC000825539070 607757805 /nfs/dbraw/zinc/75/78/05/607757805.db2.gz LUQVDSOLGQXRGW-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2C)cc1-c1nn[n-]n1 ZINC000825539070 607757806 /nfs/dbraw/zinc/75/78/06/607757806.db2.gz LUQVDSOLGQXRGW-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Br)c3cccnc13)CC2 ZINC000405372816 605479515 /nfs/dbraw/zinc/47/95/15/605479515.db2.gz RBNSRASWOAYUEY-AWEZNQCLSA-N -1 3 375.266 3.684 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1)C(=O)[O-] ZINC000833538525 605491522 /nfs/dbraw/zinc/49/15/22/605491522.db2.gz DFRCSBKAPXPOOQ-CYBMUJFWSA-N -1 3 397.397 3.591 20 0 GHADHM Cc1ccc(F)cc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826289450 607768877 /nfs/dbraw/zinc/76/88/77/607768877.db2.gz AIWXZRQWSWHNPP-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(F)cc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826289450 607768878 /nfs/dbraw/zinc/76/88/78/607768878.db2.gz AIWXZRQWSWHNPP-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1CCc2ccccc21 ZINC000826459451 607769867 /nfs/dbraw/zinc/76/98/67/607769867.db2.gz KFSBXIJUGSHHSB-MRXNPFEDSA-N -1 3 388.456 3.659 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1CCc2ccccc21 ZINC000826459451 607769868 /nfs/dbraw/zinc/76/98/68/607769868.db2.gz KFSBXIJUGSHHSB-MRXNPFEDSA-N -1 3 388.456 3.659 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825153773 607770358 /nfs/dbraw/zinc/77/03/58/607770358.db2.gz JOBVDCPLISYWLS-MRXNPFEDSA-N -1 3 398.492 3.667 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825153773 607770359 /nfs/dbraw/zinc/77/03/59/607770359.db2.gz JOBVDCPLISYWLS-MRXNPFEDSA-N -1 3 398.492 3.667 20 0 GHADHM C[C@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819875993 606019086 /nfs/dbraw/zinc/01/90/86/606019086.db2.gz CXTYSTYIXDUAFQ-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821431332 606033514 /nfs/dbraw/zinc/03/35/14/606033514.db2.gz PYHSJYIYZLTSIE-SFHVURJKSA-N -1 3 379.464 3.783 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821431332 606033520 /nfs/dbraw/zinc/03/35/20/606033520.db2.gz PYHSJYIYZLTSIE-SFHVURJKSA-N -1 3 379.464 3.783 20 0 GHADHM CN(c1ccccc1)C1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821618918 606098432 /nfs/dbraw/zinc/09/84/32/606098432.db2.gz BGNOMOLMDSGTJS-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM CN(c1ccccc1)C1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821618918 606098435 /nfs/dbraw/zinc/09/84/35/606098435.db2.gz BGNOMOLMDSGTJS-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820717741 606109720 /nfs/dbraw/zinc/10/97/20/606109720.db2.gz VOOYJJZLHCHQED-WYGRXFGPSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820717741 606109722 /nfs/dbraw/zinc/10/97/22/606109722.db2.gz VOOYJJZLHCHQED-WYGRXFGPSA-N -1 3 377.423 3.629 20 0 GHADHM COc1csc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000821911543 606123656 /nfs/dbraw/zinc/12/36/56/606123656.db2.gz XJPMSLQGWHKRTK-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820570284 606159339 /nfs/dbraw/zinc/15/93/39/606159339.db2.gz GERHTEZHBKKXPH-CQSZACIVSA-N -1 3 396.495 3.757 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820373425 606161008 /nfs/dbraw/zinc/16/10/08/606161008.db2.gz HDDVSFQHWUUVHE-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820373425 606161010 /nfs/dbraw/zinc/16/10/10/606161010.db2.gz HDDVSFQHWUUVHE-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000821699523 606174341 /nfs/dbraw/zinc/17/43/41/606174341.db2.gz SYFUHLLAXSTXFY-NSCUHMNNSA-N -1 3 388.786 3.677 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000821699523 606174342 /nfs/dbraw/zinc/17/43/42/606174342.db2.gz SYFUHLLAXSTXFY-NSCUHMNNSA-N -1 3 388.786 3.677 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000820287571 606178251 /nfs/dbraw/zinc/17/82/51/606178251.db2.gz NULUSPPTDZEMKV-GHMZBOCLSA-N -1 3 392.868 3.696 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000820287571 606178253 /nfs/dbraw/zinc/17/82/53/606178253.db2.gz NULUSPPTDZEMKV-GHMZBOCLSA-N -1 3 392.868 3.696 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000821100379 606221134 /nfs/dbraw/zinc/22/11/34/606221134.db2.gz ZCCBRYWDPBDTJE-SSZFMOIBSA-N -1 3 391.475 3.717 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000821100379 606221136 /nfs/dbraw/zinc/22/11/36/606221136.db2.gz ZCCBRYWDPBDTJE-SSZFMOIBSA-N -1 3 391.475 3.717 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1-c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000822622788 606252048 /nfs/dbraw/zinc/25/20/48/606252048.db2.gz JANWAKDLAJIFFZ-UHFFFAOYSA-N -1 3 399.414 3.501 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1-c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000822622788 606252049 /nfs/dbraw/zinc/25/20/49/606252049.db2.gz JANWAKDLAJIFFZ-UHFFFAOYSA-N -1 3 399.414 3.501 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820555404 606258589 /nfs/dbraw/zinc/25/85/89/606258589.db2.gz LADXJOAGCZRMFU-HNNXBMFYSA-N -1 3 386.459 3.705 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820555404 606258592 /nfs/dbraw/zinc/25/85/92/606258592.db2.gz LADXJOAGCZRMFU-HNNXBMFYSA-N -1 3 386.459 3.705 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822212803 606261936 /nfs/dbraw/zinc/26/19/36/606261936.db2.gz HZIRKCPETVIHDN-UHFFFAOYSA-N -1 3 376.445 3.907 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822212803 606261938 /nfs/dbraw/zinc/26/19/38/606261938.db2.gz HZIRKCPETVIHDN-UHFFFAOYSA-N -1 3 376.445 3.907 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822232267 606270160 /nfs/dbraw/zinc/27/01/60/606270160.db2.gz ZFGVPTTYVIAPDD-UHFFFAOYSA-N -1 3 383.427 3.810 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822232267 606270162 /nfs/dbraw/zinc/27/01/62/606270162.db2.gz ZFGVPTTYVIAPDD-UHFFFAOYSA-N -1 3 383.427 3.810 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1Oc1ccncc1 ZINC000822226333 606270493 /nfs/dbraw/zinc/27/04/93/606270493.db2.gz MXTYQCHZZGSFRC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1Oc1ccncc1 ZINC000822226333 606270495 /nfs/dbraw/zinc/27/04/95/606270495.db2.gz MXTYQCHZZGSFRC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820643540 606279886 /nfs/dbraw/zinc/27/98/86/606279886.db2.gz WXUALEWNRGQVPM-DNVCBOLYSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820643540 606279887 /nfs/dbraw/zinc/27/98/87/606279887.db2.gz WXUALEWNRGQVPM-DNVCBOLYSA-N -1 3 393.516 3.505 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1csc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641120 606304816 /nfs/dbraw/zinc/30/48/16/606304816.db2.gz WMLWCFUGHVKENR-SGTLLEGYSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1csc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641120 606304818 /nfs/dbraw/zinc/30/48/18/606304818.db2.gz WMLWCFUGHVKENR-SGTLLEGYSA-N -1 3 393.472 3.646 20 0 GHADHM CC(C)CN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081443 606335839 /nfs/dbraw/zinc/33/58/39/606335839.db2.gz GPOSMSRTUGLRON-UHFFFAOYSA-N -1 3 393.344 3.726 20 0 GHADHM CC(C)CN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081443 606335841 /nfs/dbraw/zinc/33/58/41/606335841.db2.gz GPOSMSRTUGLRON-UHFFFAOYSA-N -1 3 393.344 3.726 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822462375 606341869 /nfs/dbraw/zinc/34/18/69/606341869.db2.gz IJLJQMHAXHJXPS-HNNXBMFYSA-N -1 3 387.443 3.879 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822462375 606341871 /nfs/dbraw/zinc/34/18/71/606341871.db2.gz IJLJQMHAXHJXPS-HNNXBMFYSA-N -1 3 387.443 3.879 20 0 GHADHM C[C@H](OC(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508597 606342617 /nfs/dbraw/zinc/34/26/17/606342617.db2.gz SMCQGTOQQDMZDQ-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508597 606342618 /nfs/dbraw/zinc/34/26/18/606342618.db2.gz SMCQGTOQQDMZDQ-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000821407924 606344514 /nfs/dbraw/zinc/34/45/14/606344514.db2.gz XZVXHTJFJIVSPU-YOEHRIQHSA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000821407924 606344515 /nfs/dbraw/zinc/34/45/15/606344515.db2.gz XZVXHTJFJIVSPU-YOEHRIQHSA-N -1 3 392.463 3.675 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCOCC2)cc1 ZINC000822231995 606347229 /nfs/dbraw/zinc/34/72/29/606347229.db2.gz PREMUDIALRHSGY-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000822231995 606347231 /nfs/dbraw/zinc/34/72/31/606347231.db2.gz PREMUDIALRHSGY-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000820831663 606349891 /nfs/dbraw/zinc/34/98/91/606349891.db2.gz ANSVOZOTJWNRIW-WSNITJDQSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000820831663 606349892 /nfs/dbraw/zinc/34/98/92/606349892.db2.gz ANSVOZOTJWNRIW-WSNITJDQSA-N -1 3 394.431 3.592 20 0 GHADHM O=C(CSC(F)(F)F)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823054725 606362032 /nfs/dbraw/zinc/36/20/32/606362032.db2.gz DDESPMAVKPJMLN-UHFFFAOYSA-N -1 3 396.350 3.817 20 0 GHADHM O=C(CSC(F)(F)F)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823054725 606362034 /nfs/dbraw/zinc/36/20/34/606362034.db2.gz DDESPMAVKPJMLN-UHFFFAOYSA-N -1 3 396.350 3.817 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccc(-c3nnn[n-]3)s2)nc2ccc(Cl)cc12 ZINC000823657853 606389883 /nfs/dbraw/zinc/38/98/83/606389883.db2.gz VZKLKNWPUMWSAT-POHAHGRESA-N -1 3 391.243 3.555 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454019 606392109 /nfs/dbraw/zinc/39/21/09/606392109.db2.gz CMRJCPYUPGKCIH-JQWIXIFHSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454019 606392111 /nfs/dbraw/zinc/39/21/11/606392111.db2.gz CMRJCPYUPGKCIH-JQWIXIFHSA-N -1 3 396.973 3.871 20 0 GHADHM C[C@@H](CCc1ccco1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820253291 606410110 /nfs/dbraw/zinc/41/01/10/606410110.db2.gz HSSVEJJCTXBFEE-HNNXBMFYSA-N -1 3 387.443 3.878 20 0 GHADHM C[C@@H](CCc1ccco1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820253291 606410113 /nfs/dbraw/zinc/41/01/13/606410113.db2.gz HSSVEJJCTXBFEE-HNNXBMFYSA-N -1 3 387.443 3.878 20 0 GHADHM C[C@H](CCc1ccco1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820253292 606410237 /nfs/dbraw/zinc/41/02/37/606410237.db2.gz HSSVEJJCTXBFEE-OAHLLOKOSA-N -1 3 387.443 3.878 20 0 GHADHM C[C@H](CCc1ccco1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820253292 606410240 /nfs/dbraw/zinc/41/02/40/606410240.db2.gz HSSVEJJCTXBFEE-OAHLLOKOSA-N -1 3 387.443 3.878 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820533585 606412184 /nfs/dbraw/zinc/41/21/84/606412184.db2.gz GMRAVZYVBPSPOY-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820533585 606412186 /nfs/dbraw/zinc/41/21/86/606412186.db2.gz GMRAVZYVBPSPOY-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573365 606412870 /nfs/dbraw/zinc/41/28/70/606412870.db2.gz NJULLPNJADIEIQ-UHFFFAOYSA-N -1 3 392.850 3.802 20 0 GHADHM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573365 606412872 /nfs/dbraw/zinc/41/28/72/606412872.db2.gz NJULLPNJADIEIQ-UHFFFAOYSA-N -1 3 392.850 3.802 20 0 GHADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820460843 606429632 /nfs/dbraw/zinc/42/96/32/606429632.db2.gz CHNOZRPCWOQIJX-VIFPVBQESA-N -1 3 385.790 3.882 20 0 GHADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820460843 606429634 /nfs/dbraw/zinc/42/96/34/606429634.db2.gz CHNOZRPCWOQIJX-VIFPVBQESA-N -1 3 385.790 3.882 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1ccccn1 ZINC000822204097 606459109 /nfs/dbraw/zinc/45/91/09/606459109.db2.gz DEKVGLZWAWPARC-KRWDZBQOSA-N -1 3 375.411 3.599 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1ccccn1 ZINC000822204097 606459112 /nfs/dbraw/zinc/45/91/12/606459112.db2.gz DEKVGLZWAWPARC-KRWDZBQOSA-N -1 3 375.411 3.599 20 0 GHADHM CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821034065 606459995 /nfs/dbraw/zinc/45/99/95/606459995.db2.gz IJBFKMYOWNCMMA-CJNGLKHVSA-N -1 3 379.489 3.936 20 0 GHADHM CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821034065 606459996 /nfs/dbraw/zinc/45/99/96/606459996.db2.gz IJBFKMYOWNCMMA-CJNGLKHVSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cc(F)c(Cl)cc1Cl ZINC000820392589 606481502 /nfs/dbraw/zinc/48/15/02/606481502.db2.gz WOQHPWHCDKNSAA-LURJTMIESA-N -1 3 386.239 3.865 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cc(F)c(Cl)cc1Cl ZINC000820392589 606481504 /nfs/dbraw/zinc/48/15/04/606481504.db2.gz WOQHPWHCDKNSAA-LURJTMIESA-N -1 3 386.239 3.865 20 0 GHADHM O=C(Nc1ccccc1SCC(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823372659 606488236 /nfs/dbraw/zinc/48/82/36/606488236.db2.gz JMPAMZRQLOULPZ-UHFFFAOYSA-N -1 3 385.396 3.835 20 0 GHADHM O=C(Nc1ccccc1SCC(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823372659 606488238 /nfs/dbraw/zinc/48/82/38/606488238.db2.gz JMPAMZRQLOULPZ-UHFFFAOYSA-N -1 3 385.396 3.835 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Cl ZINC000820335395 606491068 /nfs/dbraw/zinc/49/10/68/606491068.db2.gz XSZMVUFRANGBCV-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Cl ZINC000820335395 606491069 /nfs/dbraw/zinc/49/10/69/606491069.db2.gz XSZMVUFRANGBCV-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820562771 606491993 /nfs/dbraw/zinc/49/19/93/606491993.db2.gz IUADPCOWELXUKC-SECBINFHSA-N -1 3 381.383 3.780 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820562771 606491994 /nfs/dbraw/zinc/49/19/94/606491994.db2.gz IUADPCOWELXUKC-SECBINFHSA-N -1 3 381.383 3.780 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000823108766 606493912 /nfs/dbraw/zinc/49/39/12/606493912.db2.gz RTQAWMBCIBSZEZ-UHFFFAOYSA-N -1 3 395.426 3.591 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000823108766 606493913 /nfs/dbraw/zinc/49/39/13/606493913.db2.gz RTQAWMBCIBSZEZ-UHFFFAOYSA-N -1 3 395.426 3.591 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822424162 606497848 /nfs/dbraw/zinc/49/78/48/606497848.db2.gz SIBBAIYMFZOSCC-JTQLQIEISA-N -1 3 396.501 3.851 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822424162 606497850 /nfs/dbraw/zinc/49/78/50/606497850.db2.gz SIBBAIYMFZOSCC-JTQLQIEISA-N -1 3 396.501 3.851 20 0 GHADHM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nc(C)cs1 ZINC000820854657 606502008 /nfs/dbraw/zinc/50/20/08/606502008.db2.gz XMPZYLMULUEKHX-KRWDZBQOSA-N -1 3 394.451 3.648 20 0 GHADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1nc(C)cs1 ZINC000820854657 606502009 /nfs/dbraw/zinc/50/20/09/606502009.db2.gz XMPZYLMULUEKHX-KRWDZBQOSA-N -1 3 394.451 3.648 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819908158 606512921 /nfs/dbraw/zinc/51/29/21/606512921.db2.gz WXHUEUDAHNFZOX-GOSISDBHSA-N -1 3 381.455 3.842 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819908158 606512923 /nfs/dbraw/zinc/51/29/23/606512923.db2.gz WXHUEUDAHNFZOX-GOSISDBHSA-N -1 3 381.455 3.842 20 0 GHADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000821082781 606515821 /nfs/dbraw/zinc/51/58/21/606515821.db2.gz NZVQTMHKTITAEK-HOTGVXAUSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000821082781 606515822 /nfs/dbraw/zinc/51/58/22/606515822.db2.gz NZVQTMHKTITAEK-HOTGVXAUSA-N -1 3 389.525 3.518 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000819764149 606529954 /nfs/dbraw/zinc/52/99/54/606529954.db2.gz FXJIYTMFQGMIDJ-JLHYYAGUSA-N -1 3 381.411 3.835 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000819764149 606529956 /nfs/dbraw/zinc/52/99/56/606529956.db2.gz FXJIYTMFQGMIDJ-JLHYYAGUSA-N -1 3 381.411 3.835 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3OC)cc2)CC1 ZINC000820944300 606544263 /nfs/dbraw/zinc/54/42/63/606544263.db2.gz JZHFMFQYZNGHNX-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3OC)cc2)CC1 ZINC000820944300 606544265 /nfs/dbraw/zinc/54/42/65/606544265.db2.gz JZHFMFQYZNGHNX-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000822414580 606555857 /nfs/dbraw/zinc/55/58/57/606555857.db2.gz LFLCNYFEVAMEDO-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000822414580 606555858 /nfs/dbraw/zinc/55/58/58/606555858.db2.gz LFLCNYFEVAMEDO-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820882384 606567107 /nfs/dbraw/zinc/56/71/07/606567107.db2.gz QHZXTFXSIXWNGU-VXGBXAGGSA-N -1 3 399.476 3.626 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820882384 606567109 /nfs/dbraw/zinc/56/71/09/606567109.db2.gz QHZXTFXSIXWNGU-VXGBXAGGSA-N -1 3 399.476 3.626 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821483156 606569147 /nfs/dbraw/zinc/56/91/47/606569147.db2.gz ZBQOAGJFBYMZDJ-GOSISDBHSA-N -1 3 379.464 3.709 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821483156 606569148 /nfs/dbraw/zinc/56/91/48/606569148.db2.gz ZBQOAGJFBYMZDJ-GOSISDBHSA-N -1 3 379.464 3.709 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664980 606574447 /nfs/dbraw/zinc/57/44/47/606574447.db2.gz DADWLTYQFHTOEU-QHLBDZCJSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664980 606574448 /nfs/dbraw/zinc/57/44/48/606574448.db2.gz DADWLTYQFHTOEU-QHLBDZCJSA-N -1 3 381.867 3.576 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NCC1(C)CC1 ZINC000822211856 606577368 /nfs/dbraw/zinc/57/73/68/606577368.db2.gz QOFVJQPIMYKWKP-UHFFFAOYSA-N -1 3 392.463 3.676 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NCC1(C)CC1 ZINC000822211856 606577370 /nfs/dbraw/zinc/57/73/70/606577370.db2.gz QOFVJQPIMYKWKP-UHFFFAOYSA-N -1 3 392.463 3.676 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820847967 606613980 /nfs/dbraw/zinc/61/39/80/606613980.db2.gz OCMFSPRJWRMLMR-AWEZNQCLSA-N -1 3 379.464 3.606 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820847967 606613981 /nfs/dbraw/zinc/61/39/81/606613981.db2.gz OCMFSPRJWRMLMR-AWEZNQCLSA-N -1 3 379.464 3.606 20 0 GHADHM COc1ccc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)cn1 ZINC000821825361 606637727 /nfs/dbraw/zinc/63/77/27/606637727.db2.gz YLHCEDLJKMKSBY-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM COc1ccc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)cn1 ZINC000821825361 606637728 /nfs/dbraw/zinc/63/77/28/606637728.db2.gz YLHCEDLJKMKSBY-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000823303435 606658617 /nfs/dbraw/zinc/65/86/17/606658617.db2.gz IKUPQOXTLJZFHZ-QMTHXVAHSA-N -1 3 380.374 3.682 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000823303435 606658618 /nfs/dbraw/zinc/65/86/18/606658618.db2.gz IKUPQOXTLJZFHZ-QMTHXVAHSA-N -1 3 380.374 3.682 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000820116773 606670010 /nfs/dbraw/zinc/67/00/10/606670010.db2.gz MXDHRRYAJHFYEN-UHFFFAOYSA-N -1 3 399.445 3.905 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000820116773 606670011 /nfs/dbraw/zinc/67/00/11/606670011.db2.gz MXDHRRYAJHFYEN-UHFFFAOYSA-N -1 3 399.445 3.905 20 0 GHADHM O=C([C@@H]1C[C@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822916895 606671186 /nfs/dbraw/zinc/67/11/86/606671186.db2.gz HNCBSBICLWFMBL-YLJYHZDGSA-N -1 3 399.454 3.872 20 0 GHADHM O=C([C@@H]1C[C@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822916895 606671187 /nfs/dbraw/zinc/67/11/87/606671187.db2.gz HNCBSBICLWFMBL-YLJYHZDGSA-N -1 3 399.454 3.872 20 0 GHADHM C[C@H](OC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496654 606684956 /nfs/dbraw/zinc/68/49/56/606684956.db2.gz NNWZHBAEUZIKFM-AWEZNQCLSA-N -1 3 375.432 3.595 20 0 GHADHM C[C@H](OC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496654 606684957 /nfs/dbraw/zinc/68/49/57/606684957.db2.gz NNWZHBAEUZIKFM-AWEZNQCLSA-N -1 3 375.432 3.595 20 0 GHADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823375959 606687032 /nfs/dbraw/zinc/68/70/32/606687032.db2.gz RNYSEJBPXYUQBV-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM O=C(Nc1cnccc1-c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823375959 606687033 /nfs/dbraw/zinc/68/70/33/606687033.db2.gz RNYSEJBPXYUQBV-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](CC)OC2CCCCC2)c1-c1nnn[n-]1 ZINC000821465672 606726179 /nfs/dbraw/zinc/72/61/79/606726179.db2.gz NFPPZBCYYXVZES-CQSZACIVSA-N -1 3 377.514 3.865 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](CC)OC2CCCCC2)c1-c1nn[n-]n1 ZINC000821465672 606726180 /nfs/dbraw/zinc/72/61/80/606726180.db2.gz NFPPZBCYYXVZES-CQSZACIVSA-N -1 3 377.514 3.865 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1=CCCC1 ZINC000822211962 606726337 /nfs/dbraw/zinc/72/63/37/606726337.db2.gz VQTJROPUTDBGTM-UHFFFAOYSA-N -1 3 375.432 3.803 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1=CCCC1 ZINC000822211962 606726339 /nfs/dbraw/zinc/72/63/39/606726339.db2.gz VQTJROPUTDBGTM-UHFFFAOYSA-N -1 3 375.432 3.803 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881771 606753719 /nfs/dbraw/zinc/75/37/19/606753719.db2.gz CVPDYZFVMUWNSC-ZIAGYGMSSA-N -1 3 393.447 3.564 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881771 606753721 /nfs/dbraw/zinc/75/37/21/606753721.db2.gz CVPDYZFVMUWNSC-ZIAGYGMSSA-N -1 3 393.447 3.564 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000822135512 606796687 /nfs/dbraw/zinc/79/66/87/606796687.db2.gz CUWYXVIONCLFKM-GASCZTMLSA-N -1 3 377.448 3.695 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000822135512 606796690 /nfs/dbraw/zinc/79/66/90/606796690.db2.gz CUWYXVIONCLFKM-GASCZTMLSA-N -1 3 377.448 3.695 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822230969 606800657 /nfs/dbraw/zinc/80/06/57/606800657.db2.gz WMSVGMMBVKLAEE-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822230969 606800658 /nfs/dbraw/zinc/80/06/58/606800658.db2.gz WMSVGMMBVKLAEE-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM O=C(CC1CCSCC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822946198 606811679 /nfs/dbraw/zinc/81/16/79/606811679.db2.gz XAUWKJLFICKNNG-UHFFFAOYSA-N -1 3 393.516 3.933 20 0 GHADHM O=C(CC1CCSCC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822946198 606811680 /nfs/dbraw/zinc/81/16/80/606811680.db2.gz XAUWKJLFICKNNG-UHFFFAOYSA-N -1 3 393.516 3.933 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823700023 606848045 /nfs/dbraw/zinc/84/80/45/606848045.db2.gz ZAACTSKKJXRMDA-INIZCTEOSA-N -1 3 381.486 3.816 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823700023 606848047 /nfs/dbraw/zinc/84/80/47/606848047.db2.gz ZAACTSKKJXRMDA-INIZCTEOSA-N -1 3 381.486 3.816 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2cccs2)no1 ZINC000822564242 606852231 /nfs/dbraw/zinc/85/22/31/606852231.db2.gz XEJAIHUXCFLRDS-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2cccs2)no1 ZINC000822564242 606852233 /nfs/dbraw/zinc/85/22/33/606852233.db2.gz XEJAIHUXCFLRDS-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820098621 606852717 /nfs/dbraw/zinc/85/27/17/606852717.db2.gz ZZESJOSZHYBQLX-SNVBAGLBSA-N -1 3 394.888 3.929 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820098621 606852719 /nfs/dbraw/zinc/85/27/19/606852719.db2.gz ZZESJOSZHYBQLX-SNVBAGLBSA-N -1 3 394.888 3.929 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000820549784 606852969 /nfs/dbraw/zinc/85/29/69/606852969.db2.gz RHMVYGBISQPQSH-LBPRGKRZSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000820549784 606852970 /nfs/dbraw/zinc/85/29/70/606852970.db2.gz RHMVYGBISQPQSH-LBPRGKRZSA-N -1 3 387.896 3.659 20 0 GHADHM CC(C)C[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820063135 606880222 /nfs/dbraw/zinc/88/02/22/606880222.db2.gz RMTQYSKPGZNUHJ-GOSISDBHSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)C[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820063135 606880224 /nfs/dbraw/zinc/88/02/24/606880224.db2.gz RMTQYSKPGZNUHJ-GOSISDBHSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)C[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820063574 606905247 /nfs/dbraw/zinc/90/52/47/606905247.db2.gz WPWRWBQQISTDSC-CYBMUJFWSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)C[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820063574 606905248 /nfs/dbraw/zinc/90/52/48/606905248.db2.gz WPWRWBQQISTDSC-CYBMUJFWSA-N -1 3 394.426 3.901 20 0 GHADHM FC(F)(F)c1ccc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822724131 606933759 /nfs/dbraw/zinc/93/37/59/606933759.db2.gz ZVIKIBBDAAVMMY-KRWDZBQOSA-N -1 3 389.381 3.854 20 0 GHADHM FC(F)(F)c1ccc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822724131 606933761 /nfs/dbraw/zinc/93/37/61/606933761.db2.gz ZVIKIBBDAAVMMY-KRWDZBQOSA-N -1 3 389.381 3.854 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@H](c2ccsc2)C1 ZINC000822204285 606949187 /nfs/dbraw/zinc/94/91/87/606949187.db2.gz KWYJBOITSAVZHM-INIZCTEOSA-N -1 3 396.451 3.502 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@H](c2ccsc2)C1 ZINC000822204285 606949188 /nfs/dbraw/zinc/94/91/88/606949188.db2.gz KWYJBOITSAVZHM-INIZCTEOSA-N -1 3 396.451 3.502 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820950464 606957704 /nfs/dbraw/zinc/95/77/04/606957704.db2.gz NSOQTLUYMAIGJJ-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820950464 606957706 /nfs/dbraw/zinc/95/77/06/606957706.db2.gz NSOQTLUYMAIGJJ-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CCCC1(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821034718 606958304 /nfs/dbraw/zinc/95/83/04/606958304.db2.gz RWLYCEYQFPVIPO-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM CCCC1(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821034718 606958306 /nfs/dbraw/zinc/95/83/06/606958306.db2.gz RWLYCEYQFPVIPO-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM Cc1cc(Cl)ccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822202313 606961248 /nfs/dbraw/zinc/96/12/48/606961248.db2.gz VHDOGTYNQLNRNW-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM Cc1cc(Cl)ccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822202313 606961250 /nfs/dbraw/zinc/96/12/50/606961250.db2.gz VHDOGTYNQLNRNW-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821777586 606961716 /nfs/dbraw/zinc/96/17/16/606961716.db2.gz IOJOOEPSXPRGBG-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821777586 606961717 /nfs/dbraw/zinc/96/17/17/606961717.db2.gz IOJOOEPSXPRGBG-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822418708 606972367 /nfs/dbraw/zinc/97/23/67/606972367.db2.gz FELCCOXSRLKTTR-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822418708 606972368 /nfs/dbraw/zinc/97/23/68/606972368.db2.gz FELCCOXSRLKTTR-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596798 606972915 /nfs/dbraw/zinc/97/29/15/606972915.db2.gz TYUZGJYYJHMDCD-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822596798 606972917 /nfs/dbraw/zinc/97/29/17/606972917.db2.gz TYUZGJYYJHMDCD-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000822207070 606987423 /nfs/dbraw/zinc/98/74/23/606987423.db2.gz JZLYAYDPWFZBSK-ZDUSSCGKSA-N -1 3 382.493 3.868 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000822207070 606987424 /nfs/dbraw/zinc/98/74/24/606987424.db2.gz JZLYAYDPWFZBSK-ZDUSSCGKSA-N -1 3 382.493 3.868 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000820313120 606993549 /nfs/dbraw/zinc/99/35/49/606993549.db2.gz ASBRSDPJUNRPPW-JTQLQIEISA-N -1 3 391.884 3.616 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000820313120 606993550 /nfs/dbraw/zinc/99/35/50/606993550.db2.gz ASBRSDPJUNRPPW-JTQLQIEISA-N -1 3 391.884 3.616 20 0 GHADHM Cc1cc(=O)oc2cc(OCc3ccc(F)c(-c4nnn[n-]4)c3)c(Cl)cc12 ZINC000822160450 607005063 /nfs/dbraw/zinc/00/50/63/607005063.db2.gz HRBFCGKPPGBYDL-UHFFFAOYSA-N -1 3 386.770 3.653 20 0 GHADHM Cc1cc(=O)oc2cc(OCc3ccc(F)c(-c4nn[n-]n4)c3)c(Cl)cc12 ZINC000822160450 607005064 /nfs/dbraw/zinc/00/50/64/607005064.db2.gz HRBFCGKPPGBYDL-UHFFFAOYSA-N -1 3 386.770 3.653 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821000580 607011655 /nfs/dbraw/zinc/01/16/55/607011655.db2.gz GSTFUBZWKUNJED-HNNXBMFYSA-N -1 3 385.518 3.556 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821000580 607011657 /nfs/dbraw/zinc/01/16/57/607011657.db2.gz GSTFUBZWKUNJED-HNNXBMFYSA-N -1 3 385.518 3.556 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(NCc3ccccc3)s2)c1 ZINC000822757951 607038810 /nfs/dbraw/zinc/03/88/10/607038810.db2.gz IAQQCNOAHRKICQ-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(NCc3ccccc3)s2)c1 ZINC000822757951 607038811 /nfs/dbraw/zinc/03/88/11/607038811.db2.gz IAQQCNOAHRKICQ-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Cc1nc2cc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)ccc2o1 ZINC000822459505 607073678 /nfs/dbraw/zinc/07/36/78/607073678.db2.gz QIFSKRJTEJVHOC-UHFFFAOYSA-N -1 3 389.419 3.513 20 0 GHADHM Cc1nc2cc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)ccc2o1 ZINC000822459505 607073680 /nfs/dbraw/zinc/07/36/80/607073680.db2.gz QIFSKRJTEJVHOC-UHFFFAOYSA-N -1 3 389.419 3.513 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Cl)c2cccnc12 ZINC000823417843 607079619 /nfs/dbraw/zinc/07/96/19/607079619.db2.gz KNMRDRHNKZNQJI-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Cl)c2cccnc12 ZINC000823417843 607079620 /nfs/dbraw/zinc/07/96/20/607079620.db2.gz KNMRDRHNKZNQJI-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000819965881 607085209 /nfs/dbraw/zinc/08/52/09/607085209.db2.gz QVENQFGMDXRUEW-ALCCZGGFSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000819965881 607085210 /nfs/dbraw/zinc/08/52/10/607085210.db2.gz QVENQFGMDXRUEW-ALCCZGGFSA-N -1 3 387.440 3.516 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820915769 607097204 /nfs/dbraw/zinc/09/72/04/607097204.db2.gz XIDPNDRGIZDMOE-UZLBHIALSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820915769 607097205 /nfs/dbraw/zinc/09/72/05/607097205.db2.gz XIDPNDRGIZDMOE-UZLBHIALSA-N -1 3 392.507 3.981 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cnc3ccccn23)n1 ZINC000822191652 607097325 /nfs/dbraw/zinc/09/73/25/607097325.db2.gz MZYXAKCDWHSRCP-UHFFFAOYSA-N -1 3 391.382 3.529 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2cnc3ccccn23)n1 ZINC000822191652 607097328 /nfs/dbraw/zinc/09/73/28/607097328.db2.gz MZYXAKCDWHSRCP-UHFFFAOYSA-N -1 3 391.382 3.529 20 0 GHADHM CC(C)Oc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)ccn1 ZINC000820151301 607141574 /nfs/dbraw/zinc/14/15/74/607141574.db2.gz GMRDUPCEXBUDEZ-UHFFFAOYSA-N -1 3 398.492 3.632 20 0 GHADHM CC(C)Oc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)ccn1 ZINC000820151301 607141575 /nfs/dbraw/zinc/14/15/75/607141575.db2.gz GMRDUPCEXBUDEZ-UHFFFAOYSA-N -1 3 398.492 3.632 20 0 GHADHM CCc1oc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)cc1C ZINC000821558855 607155100 /nfs/dbraw/zinc/15/51/00/607155100.db2.gz HTCMPMBFTYXXHF-UHFFFAOYSA-N -1 3 393.369 3.535 20 0 GHADHM CCc1oc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)cc1C ZINC000821558855 607155102 /nfs/dbraw/zinc/15/51/02/607155102.db2.gz HTCMPMBFTYXXHF-UHFFFAOYSA-N -1 3 393.369 3.535 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820937955 607156629 /nfs/dbraw/zinc/15/66/29/607156629.db2.gz FRFWYSBWJNJXIM-QGZVFWFLSA-N -1 3 387.484 3.720 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820937955 607156630 /nfs/dbraw/zinc/15/66/30/607156630.db2.gz FRFWYSBWJNJXIM-QGZVFWFLSA-N -1 3 387.484 3.720 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820548495 607162266 /nfs/dbraw/zinc/16/22/66/607162266.db2.gz AVQSQECIFQHBOE-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820548495 607162267 /nfs/dbraw/zinc/16/22/67/607162267.db2.gz AVQSQECIFQHBOE-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820073770 607163821 /nfs/dbraw/zinc/16/38/21/607163821.db2.gz VNUBPPUWZPGSFE-SFHVURJKSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820073770 607163823 /nfs/dbraw/zinc/16/38/23/607163823.db2.gz VNUBPPUWZPGSFE-SFHVURJKSA-N -1 3 385.512 3.843 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCc1ccc(F)c(F)c1 ZINC000821702313 607172363 /nfs/dbraw/zinc/17/23/63/607172363.db2.gz PIWGCKGQDCEVFD-UHFFFAOYSA-N -1 3 392.431 3.508 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCc1ccc(F)c(F)c1 ZINC000821702313 607172364 /nfs/dbraw/zinc/17/23/64/607172364.db2.gz PIWGCKGQDCEVFD-UHFFFAOYSA-N -1 3 392.431 3.508 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822283809 607177581 /nfs/dbraw/zinc/17/75/81/607177581.db2.gz DQWICDGMNJXCSJ-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822283809 607177582 /nfs/dbraw/zinc/17/75/82/607177582.db2.gz DQWICDGMNJXCSJ-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822553005 607191068 /nfs/dbraw/zinc/19/10/68/607191068.db2.gz HEVFGVHLOUBUCU-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822553005 607191069 /nfs/dbraw/zinc/19/10/69/607191069.db2.gz HEVFGVHLOUBUCU-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc(-c2ccccc2)s1 ZINC000823319825 607191238 /nfs/dbraw/zinc/19/12/38/607191238.db2.gz ZCXBBUKTNQNZPZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc(-c2ccccc2)s1 ZINC000823319825 607191239 /nfs/dbraw/zinc/19/12/39/607191239.db2.gz ZCXBBUKTNQNZPZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1SCCc2sccc21 ZINC000823313831 607192213 /nfs/dbraw/zinc/19/22/13/607192213.db2.gz JOAGCOVRQMMBPI-CYBMUJFWSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1SCCc2sccc21 ZINC000823313831 607192214 /nfs/dbraw/zinc/19/22/14/607192214.db2.gz JOAGCOVRQMMBPI-CYBMUJFWSA-N -1 3 377.882 3.551 20 0 GHADHM CC(C)CN(C(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081421 607192219 /nfs/dbraw/zinc/19/22/19/607192219.db2.gz FPJCZIMKKXWFOR-UHFFFAOYSA-N -1 3 389.381 3.516 20 0 GHADHM CC(C)CN(C(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081421 607192220 /nfs/dbraw/zinc/19/22/20/607192220.db2.gz FPJCZIMKKXWFOR-UHFFFAOYSA-N -1 3 389.381 3.516 20 0 GHADHM O=C(NCC1(c2cccc(F)c2)CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823170502 607196610 /nfs/dbraw/zinc/19/66/10/607196610.db2.gz COHWRMOKUZHOCD-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM O=C(NCC1(c2cccc(F)c2)CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823170502 607196611 /nfs/dbraw/zinc/19/66/11/607196611.db2.gz COHWRMOKUZHOCD-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821417829 607198134 /nfs/dbraw/zinc/19/81/34/607198134.db2.gz TWKDCKOQJZVLEM-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821417829 607198135 /nfs/dbraw/zinc/19/81/35/607198135.db2.gz TWKDCKOQJZVLEM-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM COc1ccc([C@H]2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000821786237 607198149 /nfs/dbraw/zinc/19/81/49/607198149.db2.gz BZOYRXFSDIDPKO-AWEZNQCLSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccc([C@H]2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000821786237 607198150 /nfs/dbraw/zinc/19/81/50/607198150.db2.gz BZOYRXFSDIDPKO-AWEZNQCLSA-N -1 3 398.854 3.550 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccc(F)cc2)CCC1 ZINC000823319670 607200558 /nfs/dbraw/zinc/20/05/58/607200558.db2.gz XHDMABSFALHKQB-UHFFFAOYSA-N -1 3 386.818 3.860 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccc(F)cc2)CCC1 ZINC000823319670 607200559 /nfs/dbraw/zinc/20/05/59/607200559.db2.gz XHDMABSFALHKQB-UHFFFAOYSA-N -1 3 386.818 3.860 20 0 GHADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821872120 607201827 /nfs/dbraw/zinc/20/18/27/607201827.db2.gz IZVOIUBXSOKQQS-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821872120 607201828 /nfs/dbraw/zinc/20/18/28/607201828.db2.gz IZVOIUBXSOKQQS-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM O=C(Nc1cccc(OC(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823368436 607202109 /nfs/dbraw/zinc/20/21/09/607202109.db2.gz XUOXUKZWORCIHE-UHFFFAOYSA-N -1 3 380.742 3.766 20 0 GHADHM O=C(Nc1cccc(OC(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823368436 607202110 /nfs/dbraw/zinc/20/21/10/607202110.db2.gz XUOXUKZWORCIHE-UHFFFAOYSA-N -1 3 380.742 3.766 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1cnn(Cc2ccccc2)c1 ZINC000822723894 607227592 /nfs/dbraw/zinc/22/75/92/607227592.db2.gz SAJSCVUCANLNDC-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1cnn(Cc2ccccc2)c1 ZINC000822723894 607227593 /nfs/dbraw/zinc/22/75/93/607227593.db2.gz SAJSCVUCANLNDC-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000820001436 607234910 /nfs/dbraw/zinc/23/49/10/607234910.db2.gz MIKFKKKXYHNUBR-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000820001436 607234911 /nfs/dbraw/zinc/23/49/11/607234911.db2.gz MIKFKKKXYHNUBR-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822223668 607243722 /nfs/dbraw/zinc/24/37/22/607243722.db2.gz GJNFXRSBZADTKC-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822223668 607243723 /nfs/dbraw/zinc/24/37/23/607243723.db2.gz GJNFXRSBZADTKC-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822423815 607243754 /nfs/dbraw/zinc/24/37/54/607243754.db2.gz PBVFPYUDCCVXPQ-UHFFFAOYSA-N -1 3 376.873 3.835 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822423815 607243755 /nfs/dbraw/zinc/24/37/55/607243755.db2.gz PBVFPYUDCCVXPQ-UHFFFAOYSA-N -1 3 376.873 3.835 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000823318701 607244068 /nfs/dbraw/zinc/24/40/68/607244068.db2.gz IETGXOBNJHJTJY-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000823318701 607244069 /nfs/dbraw/zinc/24/40/69/607244069.db2.gz IETGXOBNJHJTJY-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825125953 607782360 /nfs/dbraw/zinc/78/23/60/607782360.db2.gz GAWUXVUXSYKHDQ-QGZVFWFLSA-N -1 3 396.520 3.579 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825125953 607782361 /nfs/dbraw/zinc/78/23/61/607782361.db2.gz GAWUXVUXSYKHDQ-QGZVFWFLSA-N -1 3 396.520 3.579 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000825553763 607784818 /nfs/dbraw/zinc/78/48/18/607784818.db2.gz VXDRUCQWWIXAHS-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000825553763 607784819 /nfs/dbraw/zinc/78/48/19/607784819.db2.gz VXDRUCQWWIXAHS-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000824065152 607785025 /nfs/dbraw/zinc/78/50/25/607785025.db2.gz UEWQHTUTGDECDX-UHFFFAOYSA-N -1 3 384.443 3.845 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccccc2)cc1 ZINC000824065152 607785026 /nfs/dbraw/zinc/78/50/26/607785026.db2.gz UEWQHTUTGDECDX-UHFFFAOYSA-N -1 3 384.443 3.845 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825830793 607787636 /nfs/dbraw/zinc/78/76/36/607787636.db2.gz XTZLWHLEJRORRO-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826322751 607790105 /nfs/dbraw/zinc/79/01/05/607790105.db2.gz AJZIZIDARSTFOI-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826322751 607790106 /nfs/dbraw/zinc/79/01/06/607790106.db2.gz AJZIZIDARSTFOI-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000825820361 607794814 /nfs/dbraw/zinc/79/48/14/607794814.db2.gz BOWXTBKPFZRATB-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000825820361 607794815 /nfs/dbraw/zinc/79/48/15/607794815.db2.gz BOWXTBKPFZRATB-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM CC[C@@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825080867 607797651 /nfs/dbraw/zinc/79/76/51/607797651.db2.gz CHOCBXXTWHFLSY-HNNXBMFYSA-N -1 3 379.464 3.812 20 0 GHADHM CC[C@@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825080867 607797652 /nfs/dbraw/zinc/79/76/52/607797652.db2.gz CHOCBXXTWHFLSY-HNNXBMFYSA-N -1 3 379.464 3.812 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000820502410 607800881 /nfs/dbraw/zinc/80/08/81/607800881.db2.gz QZFJWBFJBGKEOA-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000820502410 607800882 /nfs/dbraw/zinc/80/08/82/607800882.db2.gz QZFJWBFJBGKEOA-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C1 ZINC000824224198 607803828 /nfs/dbraw/zinc/80/38/28/607803828.db2.gz NHHSWWQQDIDTTK-UHFFFAOYSA-N -1 3 396.426 3.918 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C1 ZINC000824224198 607803829 /nfs/dbraw/zinc/80/38/29/607803829.db2.gz NHHSWWQQDIDTTK-UHFFFAOYSA-N -1 3 396.426 3.918 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470058 607815879 /nfs/dbraw/zinc/81/58/79/607815879.db2.gz FOZKNMCYYKYXRK-RDTXWAMCSA-N -1 3 379.464 3.600 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470058 607815880 /nfs/dbraw/zinc/81/58/80/607815880.db2.gz FOZKNMCYYKYXRK-RDTXWAMCSA-N -1 3 379.464 3.600 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc3ccc(OC)cc32)s1 ZINC000825693740 607827224 /nfs/dbraw/zinc/82/72/24/607827224.db2.gz CEYSJFSJPIBWBK-UHFFFAOYSA-N -1 3 393.472 3.834 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc3ccc(OC)cc32)s1 ZINC000825693740 607827225 /nfs/dbraw/zinc/82/72/25/607827225.db2.gz CEYSJFSJPIBWBK-UHFFFAOYSA-N -1 3 393.472 3.834 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824029552 607832056 /nfs/dbraw/zinc/83/20/56/607832056.db2.gz NBFPMJWIPHTAQQ-UHFFFAOYSA-N -1 3 376.203 3.628 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824029552 607832057 /nfs/dbraw/zinc/83/20/57/607832057.db2.gz NBFPMJWIPHTAQQ-UHFFFAOYSA-N -1 3 376.203 3.628 20 0 GHADHM CCN(C(=O)c1ccc(Cl)cc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385452 607879127 /nfs/dbraw/zinc/87/91/27/607879127.db2.gz GPDJSEHPDRWANA-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCN(C(=O)c1ccc(Cl)cc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385452 607879128 /nfs/dbraw/zinc/87/91/28/607879128.db2.gz GPDJSEHPDRWANA-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826323602 607893347 /nfs/dbraw/zinc/89/33/47/607893347.db2.gz KKLLDLPTCNVFLE-GFCCVEGCSA-N -1 3 385.497 3.980 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826323602 607893348 /nfs/dbraw/zinc/89/33/48/607893348.db2.gz KKLLDLPTCNVFLE-GFCCVEGCSA-N -1 3 385.497 3.980 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826323725 607913197 /nfs/dbraw/zinc/91/31/97/607913197.db2.gz PERSBEWCJFBLSO-CYBMUJFWSA-N -1 3 384.509 3.517 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826323725 607913198 /nfs/dbraw/zinc/91/31/98/607913198.db2.gz PERSBEWCJFBLSO-CYBMUJFWSA-N -1 3 384.509 3.517 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824457718 607920374 /nfs/dbraw/zinc/92/03/74/607920374.db2.gz QUGQJBLRHPRXFK-SNVBAGLBSA-N -1 3 387.896 3.888 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824457718 607920375 /nfs/dbraw/zinc/92/03/75/607920375.db2.gz QUGQJBLRHPRXFK-SNVBAGLBSA-N -1 3 387.896 3.888 20 0 GHADHM CCc1c(C)sc(NC(=O)C(F)(F)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825686956 607926337 /nfs/dbraw/zinc/92/63/37/607926337.db2.gz CPMSXQIAZOWKEE-UHFFFAOYSA-N -1 3 393.419 3.538 20 0 GHADHM CCc1c(C)sc(NC(=O)C(F)(F)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000825686956 607926338 /nfs/dbraw/zinc/92/63/38/607926338.db2.gz CPMSXQIAZOWKEE-UHFFFAOYSA-N -1 3 393.419 3.538 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826442852 607932026 /nfs/dbraw/zinc/93/20/26/607932026.db2.gz MZBIPJVHKPOLOJ-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826442852 607932027 /nfs/dbraw/zinc/93/20/27/607932027.db2.gz MZBIPJVHKPOLOJ-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(C(=O)CC)c1 ZINC000825332817 607940092 /nfs/dbraw/zinc/94/00/92/607940092.db2.gz MMEFUHXDGFVBRO-UHFFFAOYSA-N -1 3 396.426 3.673 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826298456 607941686 /nfs/dbraw/zinc/94/16/86/607941686.db2.gz SRNPKCJWHANBFV-UHFFFAOYSA-N -1 3 398.898 3.930 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826234386 607949446 /nfs/dbraw/zinc/94/94/46/607949446.db2.gz TXVCODISBKRJLQ-UHFFFAOYSA-N -1 3 379.420 3.732 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826234386 607949447 /nfs/dbraw/zinc/94/94/47/607949447.db2.gz TXVCODISBKRJLQ-UHFFFAOYSA-N -1 3 379.420 3.732 20 0 GHADHM O=C(c1ccc(SC(F)(F)F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473670 607953683 /nfs/dbraw/zinc/95/36/83/607953683.db2.gz INCYWSMHLNSVHY-UHFFFAOYSA-N -1 3 391.378 3.682 20 0 GHADHM O=C(c1ccc(SC(F)(F)F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473670 607953684 /nfs/dbraw/zinc/95/36/84/607953684.db2.gz INCYWSMHLNSVHY-UHFFFAOYSA-N -1 3 391.378 3.682 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)ccc1F ZINC000825034040 607962016 /nfs/dbraw/zinc/96/20/16/607962016.db2.gz CZLJYUFOFKXKII-UHFFFAOYSA-N -1 3 387.440 3.783 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)ccc1F ZINC000825034040 607962017 /nfs/dbraw/zinc/96/20/17/607962017.db2.gz CZLJYUFOFKXKII-UHFFFAOYSA-N -1 3 387.440 3.783 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)c(OC)c1 ZINC000825317802 607970254 /nfs/dbraw/zinc/97/02/54/607970254.db2.gz CESKKQNTOURWAE-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)c(OC)c1 ZINC000825317802 607970255 /nfs/dbraw/zinc/97/02/55/607970255.db2.gz CESKKQNTOURWAE-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)c1cnco1 ZINC000826454795 607978087 /nfs/dbraw/zinc/97/80/87/607978087.db2.gz LNJNGQGQAJGXOX-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM CC1(C)CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)Cc2ccccc21 ZINC000824808498 608007634 /nfs/dbraw/zinc/00/76/34/608007634.db2.gz SWQWTLDUWBJJDF-UHFFFAOYSA-N -1 3 382.855 3.845 20 0 GHADHM CC1(C)CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)Cc2ccccc21 ZINC000824808498 608007635 /nfs/dbraw/zinc/00/76/35/608007635.db2.gz SWQWTLDUWBJJDF-UHFFFAOYSA-N -1 3 382.855 3.845 20 0 GHADHM Cc1ccc(Br)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826281209 608072719 /nfs/dbraw/zinc/07/27/19/608072719.db2.gz JAKGRSPJZCOYQI-CLFYSBASSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(Br)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826281209 608072720 /nfs/dbraw/zinc/07/27/20/608072720.db2.gz JAKGRSPJZCOYQI-CLFYSBASSA-N -1 3 384.237 3.590 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826451557 608077254 /nfs/dbraw/zinc/07/72/54/608077254.db2.gz LRDXWHCGAWNYNS-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826451557 608077255 /nfs/dbraw/zinc/07/72/55/608077255.db2.gz LRDXWHCGAWNYNS-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406022 608082881 /nfs/dbraw/zinc/08/28/81/608082881.db2.gz DUCCYINDVMJCCP-LJQANCHMSA-N -1 3 383.496 3.517 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406022 608082882 /nfs/dbraw/zinc/08/28/82/608082882.db2.gz DUCCYINDVMJCCP-LJQANCHMSA-N -1 3 383.496 3.517 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000826277226 608097450 /nfs/dbraw/zinc/09/74/50/608097450.db2.gz NVDDTJYCUTVZDZ-LLVKDONJSA-N -1 3 396.501 3.904 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000826277226 608097451 /nfs/dbraw/zinc/09/74/51/608097451.db2.gz NVDDTJYCUTVZDZ-LLVKDONJSA-N -1 3 396.501 3.904 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000824293593 608119430 /nfs/dbraw/zinc/11/94/30/608119430.db2.gz SPBSKEVLJWQOQX-UHFFFAOYSA-N -1 3 391.809 3.849 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000824293593 608119431 /nfs/dbraw/zinc/11/94/31/608119431.db2.gz SPBSKEVLJWQOQX-UHFFFAOYSA-N -1 3 391.809 3.849 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1c(F)cccc1F ZINC000824051887 608121764 /nfs/dbraw/zinc/12/17/64/608121764.db2.gz HPKMZAQLYILDLL-SECBINFHSA-N -1 3 389.431 3.827 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1c(F)cccc1F ZINC000824051887 608121765 /nfs/dbraw/zinc/12/17/65/608121765.db2.gz HPKMZAQLYILDLL-SECBINFHSA-N -1 3 389.431 3.827 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000824078714 608131039 /nfs/dbraw/zinc/13/10/39/608131039.db2.gz JSQOJCQWCXOERL-INIZCTEOSA-N -1 3 392.463 3.562 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000824078714 608131040 /nfs/dbraw/zinc/13/10/40/608131040.db2.gz JSQOJCQWCXOERL-INIZCTEOSA-N -1 3 392.463 3.562 20 0 GHADHM CCC[C@H](C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000825225658 608159737 /nfs/dbraw/zinc/15/97/37/608159737.db2.gz VVCCYIUDGHCOFX-NSHDSACASA-N -1 3 397.273 3.616 20 0 GHADHM CCC[C@H](C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000825225658 608159738 /nfs/dbraw/zinc/15/97/38/608159738.db2.gz VVCCYIUDGHCOFX-NSHDSACASA-N -1 3 397.273 3.616 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1c(Cl)cccc1N1CCCC1 ZINC000826371818 608160673 /nfs/dbraw/zinc/16/06/73/608160673.db2.gz VQFQLGLKBWLAFV-UHFFFAOYSA-N -1 3 386.862 3.549 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1c(Cl)cccc1N1CCCC1 ZINC000826371818 608160675 /nfs/dbraw/zinc/16/06/75/608160675.db2.gz VQFQLGLKBWLAFV-UHFFFAOYSA-N -1 3 386.862 3.549 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc2sccc2s1 ZINC000825793437 608174705 /nfs/dbraw/zinc/17/47/05/608174705.db2.gz VFLUPXWMACMIIA-UHFFFAOYSA-N -1 3 395.473 3.765 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc2sccc2s1 ZINC000825793437 608174707 /nfs/dbraw/zinc/17/47/07/608174707.db2.gz VFLUPXWMACMIIA-UHFFFAOYSA-N -1 3 395.473 3.765 20 0 GHADHM CCC[C@H](C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)c1ccccc1 ZINC000825225785 608176499 /nfs/dbraw/zinc/17/64/99/608176499.db2.gz XNHOTWWDKFBVHB-INIZCTEOSA-N -1 3 389.463 3.759 20 0 GHADHM CCC[C@H](C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)c1ccccc1 ZINC000825225785 608176500 /nfs/dbraw/zinc/17/65/00/608176500.db2.gz XNHOTWWDKFBVHB-INIZCTEOSA-N -1 3 389.463 3.759 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC/C=C/c1ccccc1 ZINC000825788269 608178240 /nfs/dbraw/zinc/17/82/40/608178240.db2.gz NXTNXFGISZDFQX-UXBLZVDNSA-N -1 3 387.447 3.668 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC/C=C/c1ccccc1 ZINC000825788269 608178241 /nfs/dbraw/zinc/17/82/41/608178241.db2.gz NXTNXFGISZDFQX-UXBLZVDNSA-N -1 3 387.447 3.668 20 0 GHADHM Cc1nc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)cs1 ZINC000826326714 608201834 /nfs/dbraw/zinc/20/18/34/608201834.db2.gz AVVCPHLOIYWVBI-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM COc1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)ccc1OC(C)C ZINC000826179583 608221625 /nfs/dbraw/zinc/22/16/25/608221625.db2.gz VONXVXJZFCFZPU-UHFFFAOYSA-N -1 3 390.447 3.823 20 0 GHADHM COc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)ccc1OC(C)C ZINC000826179583 608221627 /nfs/dbraw/zinc/22/16/27/608221627.db2.gz VONXVXJZFCFZPU-UHFFFAOYSA-N -1 3 390.447 3.823 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826219663 608225270 /nfs/dbraw/zinc/22/52/70/608225270.db2.gz LURDZUHJQLBQSY-GOSISDBHSA-N -1 3 386.459 3.635 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826219663 608225272 /nfs/dbraw/zinc/22/52/72/608225272.db2.gz LURDZUHJQLBQSY-GOSISDBHSA-N -1 3 386.459 3.635 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000824092843 608235376 /nfs/dbraw/zinc/23/53/76/608235376.db2.gz AOJAPDMLZKHWLC-UHFFFAOYSA-N -1 3 394.479 3.727 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000824092843 608235377 /nfs/dbraw/zinc/23/53/77/608235377.db2.gz AOJAPDMLZKHWLC-UHFFFAOYSA-N -1 3 394.479 3.727 20 0 GHADHM C[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385055 608235900 /nfs/dbraw/zinc/23/59/00/608235900.db2.gz KOCIAEMXBZUQDY-ZIAGYGMSSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385055 608235902 /nfs/dbraw/zinc/23/59/02/608235902.db2.gz KOCIAEMXBZUQDY-ZIAGYGMSSA-N -1 3 383.883 3.966 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825192032 608240595 /nfs/dbraw/zinc/24/05/95/608240595.db2.gz FVOIDZUIAVPBJY-SWLSCSKDSA-N -1 3 397.508 3.709 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825192032 608240597 /nfs/dbraw/zinc/24/05/97/608240597.db2.gz FVOIDZUIAVPBJY-SWLSCSKDSA-N -1 3 397.508 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000824329159 608242274 /nfs/dbraw/zinc/24/22/74/608242274.db2.gz JWCSCGFEUJBOFB-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000824329159 608242275 /nfs/dbraw/zinc/24/22/75/608242275.db2.gz JWCSCGFEUJBOFB-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825191339 608245911 /nfs/dbraw/zinc/24/59/11/608245911.db2.gz ACJVVCFDIOSEKI-QAPCUYQASA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825191339 608245913 /nfs/dbraw/zinc/24/59/13/608245913.db2.gz ACJVVCFDIOSEKI-QAPCUYQASA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000824730149 608265189 /nfs/dbraw/zinc/26/51/89/608265189.db2.gz MPIZHPFHTXUWJU-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM CSc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826229671 608267582 /nfs/dbraw/zinc/26/75/82/608267582.db2.gz MUCBCGZEORYBAZ-UHFFFAOYSA-N -1 3 383.452 3.533 20 0 GHADHM CSc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826229671 608267585 /nfs/dbraw/zinc/26/75/85/608267585.db2.gz MUCBCGZEORYBAZ-UHFFFAOYSA-N -1 3 383.452 3.533 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(COCc3ccccc3)c2)n1 ZINC000826277162 608274997 /nfs/dbraw/zinc/27/49/97/608274997.db2.gz LLMNTOTXNHBCOF-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(COCc3ccccc3)c2)n1 ZINC000826277162 608274998 /nfs/dbraw/zinc/27/49/98/608274998.db2.gz LLMNTOTXNHBCOF-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNc3nc(C)ccc3-c3nnn[n-]3)c2)cc1 ZINC000826282541 608277205 /nfs/dbraw/zinc/27/72/05/608277205.db2.gz TZXOSDOUODSWLN-UHFFFAOYSA-N -1 3 399.458 3.743 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNc3nc(C)ccc3-c3nn[n-]n3)c2)cc1 ZINC000826282541 608277208 /nfs/dbraw/zinc/27/72/08/608277208.db2.gz TZXOSDOUODSWLN-UHFFFAOYSA-N -1 3 399.458 3.743 20 0 GHADHM CCc1cccnc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825728779 608284266 /nfs/dbraw/zinc/28/42/66/608284266.db2.gz ZTJXLAXQTNXQAD-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824047152 608286244 /nfs/dbraw/zinc/28/62/44/608286244.db2.gz YFBKOXTWICECMV-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824047152 608286245 /nfs/dbraw/zinc/28/62/45/608286245.db2.gz YFBKOXTWICECMV-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc2cc[nH]c2c1 ZINC000826441070 608305923 /nfs/dbraw/zinc/30/59/23/608305923.db2.gz MPGVOKSSNZXJDC-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc2cc[nH]c2c1 ZINC000826441070 608305925 /nfs/dbraw/zinc/30/59/25/608305925.db2.gz MPGVOKSSNZXJDC-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM C[C@H](NC(=O)c1ccccc1COC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824520964 608307796 /nfs/dbraw/zinc/30/77/96/608307796.db2.gz GTDOOWVQWBWRRP-AWEZNQCLSA-N -1 3 379.464 3.673 20 0 GHADHM C[C@H](NC(=O)c1ccccc1COC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824520964 608307797 /nfs/dbraw/zinc/30/77/97/608307797.db2.gz GTDOOWVQWBWRRP-AWEZNQCLSA-N -1 3 379.464 3.673 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824516542 608312221 /nfs/dbraw/zinc/31/22/21/608312221.db2.gz XZJDILUYQTUJLP-UWVGGRQHSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824516542 608312223 /nfs/dbraw/zinc/31/22/23/608312223.db2.gz XZJDILUYQTUJLP-UWVGGRQHSA-N -1 3 395.410 3.869 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362562 608343084 /nfs/dbraw/zinc/34/30/84/608343084.db2.gz OTMSOSLGCRVMSS-CYBMUJFWSA-N -1 3 399.882 3.760 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362562 608343086 /nfs/dbraw/zinc/34/30/86/608343086.db2.gz OTMSOSLGCRVMSS-CYBMUJFWSA-N -1 3 399.882 3.760 20 0 GHADHM CCN(C(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371559 608344809 /nfs/dbraw/zinc/34/48/09/608344809.db2.gz ILCVPLMKEQITAS-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371559 608344811 /nfs/dbraw/zinc/34/48/11/608344811.db2.gz ILCVPLMKEQITAS-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)c1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385486 608345357 /nfs/dbraw/zinc/34/53/57/608345357.db2.gz HSIJNHHDNNKEEC-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385486 608345359 /nfs/dbraw/zinc/34/53/59/608345359.db2.gz HSIJNHHDNNKEEC-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000826522593 608375041 /nfs/dbraw/zinc/37/50/41/608375041.db2.gz HLKLAGLCHLLEHR-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000826522593 608375043 /nfs/dbraw/zinc/37/50/43/608375043.db2.gz HLKLAGLCHLLEHR-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)sc2n1 ZINC000826263591 608440030 /nfs/dbraw/zinc/44/00/30/608440030.db2.gz IWXJZRQLJWRRFI-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)sc2n1 ZINC000826263591 608440032 /nfs/dbraw/zinc/44/00/32/608440032.db2.gz IWXJZRQLJWRRFI-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM CCCCCn1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(C)n1 ZINC000825281419 608443241 /nfs/dbraw/zinc/44/32/41/608443241.db2.gz DZIKVZAJZHJGKE-UHFFFAOYSA-N -1 3 394.405 3.588 20 0 GHADHM CCCCCn1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(C)n1 ZINC000825281419 608443242 /nfs/dbraw/zinc/44/32/42/608443242.db2.gz DZIKVZAJZHJGKE-UHFFFAOYSA-N -1 3 394.405 3.588 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)c2)n1 ZINC000826319950 608450242 /nfs/dbraw/zinc/45/02/42/608450242.db2.gz AGYKNQRUCXLWHN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)c2)n1 ZINC000826319950 608450244 /nfs/dbraw/zinc/45/02/44/608450244.db2.gz AGYKNQRUCXLWHN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1F ZINC000824391681 608452978 /nfs/dbraw/zinc/45/29/78/608452978.db2.gz JJWSAOHCFSSPJT-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1F ZINC000824391681 608452979 /nfs/dbraw/zinc/45/29/79/608452979.db2.gz JJWSAOHCFSSPJT-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM COc1ccccc1-c1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826217755 608466266 /nfs/dbraw/zinc/46/62/66/608466266.db2.gz AULBFUZAWGWZSH-ZDUSSCGKSA-N -1 3 392.488 3.850 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825127085 608474760 /nfs/dbraw/zinc/47/47/60/608474760.db2.gz LTMBWMKBTQZSFX-HNNXBMFYSA-N -1 3 383.477 3.530 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825127085 608474761 /nfs/dbraw/zinc/47/47/61/608474761.db2.gz LTMBWMKBTQZSFX-HNNXBMFYSA-N -1 3 383.477 3.530 20 0 GHADHM O=C(NOC1CCCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826450036 608478449 /nfs/dbraw/zinc/47/84/49/608478449.db2.gz UUMLENBLYYBUSV-UHFFFAOYSA-N -1 3 380.408 3.655 20 0 GHADHM O=C(NOC1CCCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826450036 608478451 /nfs/dbraw/zinc/47/84/51/608478451.db2.gz UUMLENBLYYBUSV-UHFFFAOYSA-N -1 3 380.408 3.655 20 0 GHADHM CCSc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825674879 608479641 /nfs/dbraw/zinc/47/96/41/608479641.db2.gz TZFYUFXTPQCCMR-UHFFFAOYSA-N -1 3 391.500 3.908 20 0 GHADHM CCSc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825674879 608479643 /nfs/dbraw/zinc/47/96/43/608479643.db2.gz TZFYUFXTPQCCMR-UHFFFAOYSA-N -1 3 391.500 3.908 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824459039 608479865 /nfs/dbraw/zinc/47/98/65/608479865.db2.gz YMHBYZRQBSWKTB-OAHLLOKOSA-N -1 3 391.450 3.500 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824459039 608479867 /nfs/dbraw/zinc/47/98/67/608479867.db2.gz YMHBYZRQBSWKTB-OAHLLOKOSA-N -1 3 391.450 3.500 20 0 GHADHM CC(C)[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824183974 608481600 /nfs/dbraw/zinc/48/16/00/608481600.db2.gz AAJWNUXAVAKWKA-NRFANRHFSA-N -1 3 387.487 3.922 20 0 GHADHM CC(C)[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824183974 608481602 /nfs/dbraw/zinc/48/16/02/608481602.db2.gz AAJWNUXAVAKWKA-NRFANRHFSA-N -1 3 387.487 3.922 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826267721 608486647 /nfs/dbraw/zinc/48/66/47/608486647.db2.gz SATYORQHHJILND-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826267721 608486649 /nfs/dbraw/zinc/48/66/49/608486649.db2.gz SATYORQHHJILND-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Clc1ccc2c(c1)OCCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826352649 608588626 /nfs/dbraw/zinc/58/86/26/608588626.db2.gz JBIACPVCCLIEKC-ZDUSSCGKSA-N -1 3 377.235 3.894 20 0 GHADHM Clc1ccc2c(c1)OCCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826352649 608588627 /nfs/dbraw/zinc/58/86/27/608588627.db2.gz JBIACPVCCLIEKC-ZDUSSCGKSA-N -1 3 377.235 3.894 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826339733 608603232 /nfs/dbraw/zinc/60/32/32/608603232.db2.gz QWBNVTGTICLOHG-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826339733 608603234 /nfs/dbraw/zinc/60/32/34/608603234.db2.gz QWBNVTGTICLOHG-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM CC(C)(C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000824064170 608628653 /nfs/dbraw/zinc/62/86/53/608628653.db2.gz AEXIOSFMODREQD-UHFFFAOYSA-N -1 3 399.454 3.950 20 0 GHADHM CC(C)(C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824064170 608628654 /nfs/dbraw/zinc/62/86/54/608628654.db2.gz AEXIOSFMODREQD-UHFFFAOYSA-N -1 3 399.454 3.950 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826427063 608827579 /nfs/dbraw/zinc/82/75/79/608827579.db2.gz FBIWSJDXMXLRCY-MRXNPFEDSA-N -1 3 387.365 3.767 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826427063 608827581 /nfs/dbraw/zinc/82/75/81/608827581.db2.gz FBIWSJDXMXLRCY-MRXNPFEDSA-N -1 3 387.365 3.767 20 0 GHADHM CCOc1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1OCC(F)(F)F ZINC000825615879 608868784 /nfs/dbraw/zinc/86/87/84/608868784.db2.gz OFVZUUFMRPLICV-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM CCOc1cc(CNc2cccc(-c3nn[n-]n3)c2)ccc1OCC(F)(F)F ZINC000825615879 608868785 /nfs/dbraw/zinc/86/87/85/608868785.db2.gz OFVZUUFMRPLICV-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM Fc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nnn[n-]1 ZINC000826373073 608877255 /nfs/dbraw/zinc/87/72/55/608877255.db2.gz YKPRYMUZPYPJBE-RUDMXATFSA-N -1 3 376.729 3.897 20 0 GHADHM Fc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nn[n-]n1 ZINC000826373073 608877258 /nfs/dbraw/zinc/87/72/58/608877258.db2.gz YKPRYMUZPYPJBE-RUDMXATFSA-N -1 3 376.729 3.897 20 0 GHADHM CCn1c2ccc(Cl)cc2nc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825796952 608882801 /nfs/dbraw/zinc/88/28/01/608882801.db2.gz RHSYGCPJYJXJGY-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CCn1c2ccc(Cl)cc2nc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825796952 608882803 /nfs/dbraw/zinc/88/28/03/608882803.db2.gz RHSYGCPJYJXJGY-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM Cc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000826273920 609148973 /nfs/dbraw/zinc/14/89/73/609148973.db2.gz ZYSDAFINWJPQHZ-CYBMUJFWSA-N -1 3 378.411 3.820 20 0 GHADHM Cc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000826273920 609148975 /nfs/dbraw/zinc/14/89/75/609148975.db2.gz ZYSDAFINWJPQHZ-CYBMUJFWSA-N -1 3 378.411 3.820 20 0 GHADHM COc1ccc(CNc2cc(C)n(-c3ccccc3Cl)n2)cc1-c1nnn[n-]1 ZINC000826203476 609180610 /nfs/dbraw/zinc/18/06/10/609180610.db2.gz QBKKPFUOSDZUFO-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(CNc2cc(C)n(-c3ccccc3Cl)n2)cc1-c1nn[n-]n1 ZINC000826203476 609180612 /nfs/dbraw/zinc/18/06/12/609180612.db2.gz QBKKPFUOSDZUFO-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826242826 609196537 /nfs/dbraw/zinc/19/65/37/609196537.db2.gz HVHXOWNLQSCIPH-HXUWFJFHSA-N -1 3 385.427 3.514 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826242826 609196538 /nfs/dbraw/zinc/19/65/38/609196538.db2.gz HVHXOWNLQSCIPH-HXUWFJFHSA-N -1 3 385.427 3.514 20 0 GHADHM COc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000826204060 609199500 /nfs/dbraw/zinc/19/95/00/609199500.db2.gz VKPSLQQFTODBCS-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000826204060 609199502 /nfs/dbraw/zinc/19/95/02/609199502.db2.gz VKPSLQQFTODBCS-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384889 609232507 /nfs/dbraw/zinc/23/25/07/609232507.db2.gz IJXGKLNETCBNKP-STQMWFEESA-N -1 3 397.866 3.606 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384889 609232509 /nfs/dbraw/zinc/23/25/09/609232509.db2.gz IJXGKLNETCBNKP-STQMWFEESA-N -1 3 397.866 3.606 20 0 GHADHM C[C@@H](CCC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824400265 609241857 /nfs/dbraw/zinc/24/18/57/609241857.db2.gz DAURDGIXPSRDIG-HNNXBMFYSA-N -1 3 384.528 3.599 20 0 GHADHM C[C@@H](CCC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824400265 609241860 /nfs/dbraw/zinc/24/18/60/609241860.db2.gz DAURDGIXPSRDIG-HNNXBMFYSA-N -1 3 384.528 3.599 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826211303 609275625 /nfs/dbraw/zinc/27/56/25/609275625.db2.gz XCIYZDCMPHIDFD-SECBINFHSA-N -1 3 379.342 3.789 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826211303 609275626 /nfs/dbraw/zinc/27/56/26/609275626.db2.gz XCIYZDCMPHIDFD-SECBINFHSA-N -1 3 379.342 3.789 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662688 609276140 /nfs/dbraw/zinc/27/61/40/609276140.db2.gz PMLWGWFDMXNNIW-CRAIPNDOSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662688 609276141 /nfs/dbraw/zinc/27/61/41/609276141.db2.gz PMLWGWFDMXNNIW-CRAIPNDOSA-N -1 3 379.464 3.988 20 0 GHADHM CCCCc1nc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cs1 ZINC000825296556 609279061 /nfs/dbraw/zinc/27/90/61/609279061.db2.gz OEYDIXQTEDHEOC-UHFFFAOYSA-N -1 3 398.471 3.603 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000825317753 609296742 /nfs/dbraw/zinc/29/67/42/609296742.db2.gz ABHBAEXJROYOKR-UHFFFAOYSA-N -1 3 378.411 3.540 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000825317753 609296744 /nfs/dbraw/zinc/29/67/44/609296744.db2.gz ABHBAEXJROYOKR-UHFFFAOYSA-N -1 3 378.411 3.540 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826340276 609296872 /nfs/dbraw/zinc/29/68/72/609296872.db2.gz PZDMTGULVPLGGN-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826340276 609296873 /nfs/dbraw/zinc/29/68/73/609296873.db2.gz PZDMTGULVPLGGN-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826432010 609297325 /nfs/dbraw/zinc/29/73/25/609297325.db2.gz PUVAXYAVJRKQNK-AWEZNQCLSA-N -1 3 389.843 3.626 20 0 GHADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826432010 609297326 /nfs/dbraw/zinc/29/73/26/609297326.db2.gz PUVAXYAVJRKQNK-AWEZNQCLSA-N -1 3 389.843 3.626 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1C ZINC000825081511 609303587 /nfs/dbraw/zinc/30/35/87/609303587.db2.gz KOOHLPKEZCSDRS-LLVKDONJSA-N -1 3 399.524 3.925 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1C ZINC000825081511 609303589 /nfs/dbraw/zinc/30/35/89/609303589.db2.gz KOOHLPKEZCSDRS-LLVKDONJSA-N -1 3 399.524 3.925 20 0 GHADHM O=C(Nc1nc2ccccc2[nH]1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826460002 609303800 /nfs/dbraw/zinc/30/38/00/609303800.db2.gz JENCVZUICQWXML-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1nc2ccccc2[nH]1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826460002 609303802 /nfs/dbraw/zinc/30/38/02/609303802.db2.gz JENCVZUICQWXML-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM Cc1nnc(SCc2ccc(OCC(F)(F)F)cc2)c(-c2nnn[n-]2)c1C ZINC000826337468 609306684 /nfs/dbraw/zinc/30/66/84/609306684.db2.gz PLMXICSPDFHJQK-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1nnc(SCc2ccc(OCC(F)(F)F)cc2)c(-c2nn[n-]n2)c1C ZINC000826337468 609306685 /nfs/dbraw/zinc/30/66/85/609306685.db2.gz PLMXICSPDFHJQK-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1CSc1nncc2ccccc21 ZINC000823821074 609307283 /nfs/dbraw/zinc/30/72/83/609307283.db2.gz OMOXCCQXDCRHDP-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CSc1nncc2ccccc21 ZINC000823821074 609307284 /nfs/dbraw/zinc/30/72/84/609307284.db2.gz OMOXCCQXDCRHDP-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000825080649 609324306 /nfs/dbraw/zinc/32/43/06/609324306.db2.gz BHFNCTSLACZCBO-VIFPVBQESA-N -1 3 393.373 3.614 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000825080649 609324308 /nfs/dbraw/zinc/32/43/08/609324308.db2.gz BHFNCTSLACZCBO-VIFPVBQESA-N -1 3 393.373 3.614 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429390 609330997 /nfs/dbraw/zinc/33/09/97/609330997.db2.gz BFPIZAVJRPBNHS-CYBMUJFWSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429390 609330999 /nfs/dbraw/zinc/33/09/99/609330999.db2.gz BFPIZAVJRPBNHS-CYBMUJFWSA-N -1 3 399.401 3.967 20 0 GHADHM CCSc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825673799 609343036 /nfs/dbraw/zinc/34/30/36/609343036.db2.gz CPDSCHPVFOXPCI-UHFFFAOYSA-N -1 3 391.504 3.991 20 0 GHADHM CCSc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825673799 609343038 /nfs/dbraw/zinc/34/30/38/609343038.db2.gz CPDSCHPVFOXPCI-UHFFFAOYSA-N -1 3 391.504 3.991 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000826287572 609363887 /nfs/dbraw/zinc/36/38/87/609363887.db2.gz UJHGWLOYIWQLSX-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000826287572 609363890 /nfs/dbraw/zinc/36/38/90/609363890.db2.gz UJHGWLOYIWQLSX-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Fc1cccc(C2(NCc3ccc(-c4nnn[n-]4)cc3Br)CC2)c1 ZINC000826376695 609369969 /nfs/dbraw/zinc/36/99/69/609369969.db2.gz NYMRUWHVPYZWAQ-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM Fc1cccc(C2(NCc3ccc(-c4nn[n-]n4)cc3Br)CC2)c1 ZINC000826376695 609369971 /nfs/dbraw/zinc/36/99/71/609369971.db2.gz NYMRUWHVPYZWAQ-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM O=C(Nc1n[nH]c2ccccc21)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826459693 609370108 /nfs/dbraw/zinc/37/01/08/609370108.db2.gz VGEXYHVUEYOJTN-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1n[nH]c2ccccc21)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826459693 609370110 /nfs/dbraw/zinc/37/01/10/609370110.db2.gz VGEXYHVUEYOJTN-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@@H]1F ZINC000824946347 609380462 /nfs/dbraw/zinc/38/04/62/609380462.db2.gz ISLIAIALCWOYFO-UGSOOPFHSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@@H]1F ZINC000824946347 609380463 /nfs/dbraw/zinc/38/04/63/609380463.db2.gz ISLIAIALCWOYFO-UGSOOPFHSA-N -1 3 396.426 3.871 20 0 GHADHM COCc1cccc(OCC2(COc3ccc(-c4nn[n-]n4)cc3)CCC2)c1 ZINC000826164929 609383160 /nfs/dbraw/zinc/38/31/60/609383160.db2.gz XQRYWRVLBJUMQR-UHFFFAOYSA-N -1 3 380.448 3.641 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000825687408 609383298 /nfs/dbraw/zinc/38/32/98/609383298.db2.gz IZRJVEPUDNYAKB-JSGCOSHPSA-N -1 3 377.514 3.579 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000825687408 609383299 /nfs/dbraw/zinc/38/32/99/609383299.db2.gz IZRJVEPUDNYAKB-JSGCOSHPSA-N -1 3 377.514 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826441078 609402152 /nfs/dbraw/zinc/40/21/52/609402152.db2.gz MWSHJKNBWFBVHV-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826441078 609402153 /nfs/dbraw/zinc/40/21/53/609402153.db2.gz MWSHJKNBWFBVHV-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)sn1 ZINC000826270595 609404900 /nfs/dbraw/zinc/40/49/00/609404900.db2.gz GUPCHBZXXDBOBE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)sn1 ZINC000826270595 609404902 /nfs/dbraw/zinc/40/49/02/609404902.db2.gz GUPCHBZXXDBOBE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)n1 ZINC000826369266 609430186 /nfs/dbraw/zinc/43/01/86/609430186.db2.gz UUKQZCROJYNHBL-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)n1 ZINC000826369266 609430187 /nfs/dbraw/zinc/43/01/87/609430187.db2.gz UUKQZCROJYNHBL-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM Cc1nn(C)c(Cl)c1CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826333937 609451091 /nfs/dbraw/zinc/45/10/91/609451091.db2.gz AIPFQPFYQWHWQL-UHFFFAOYSA-N -1 3 388.806 3.873 20 0 GHADHM Cc1nn(C)c(Cl)c1CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826333937 609451092 /nfs/dbraw/zinc/45/10/92/609451092.db2.gz AIPFQPFYQWHWQL-UHFFFAOYSA-N -1 3 388.806 3.873 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455420 609451189 /nfs/dbraw/zinc/45/11/89/609451189.db2.gz NIWQHDXFQZOGBC-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455420 609451191 /nfs/dbraw/zinc/45/11/91/609451191.db2.gz NIWQHDXFQZOGBC-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824892114 609482684 /nfs/dbraw/zinc/48/26/84/609482684.db2.gz DQXMPMCANFWCPD-DYVFJYSZSA-N -1 3 383.427 3.564 20 0 GHADHM C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824892114 609482687 /nfs/dbraw/zinc/48/26/87/609482687.db2.gz DQXMPMCANFWCPD-DYVFJYSZSA-N -1 3 383.427 3.564 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826315954 609490558 /nfs/dbraw/zinc/49/05/58/609490558.db2.gz ZGXYGGHUHJBEBS-FPLPWBNLSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826315954 609490560 /nfs/dbraw/zinc/49/05/60/609490560.db2.gz ZGXYGGHUHJBEBS-FPLPWBNLSA-N -1 3 388.456 3.951 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1ccccc1 ZINC000826232164 609491124 /nfs/dbraw/zinc/49/11/24/609491124.db2.gz VOSODTVRLPPFFP-ZDUSSCGKSA-N -1 3 389.381 3.561 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1ccccc1 ZINC000826232164 609491125 /nfs/dbraw/zinc/49/11/25/609491125.db2.gz VOSODTVRLPPFFP-ZDUSSCGKSA-N -1 3 389.381 3.561 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc(-c3ccccn3)s2)cc1-c1nnn[n-]1 ZINC000824329960 609492489 /nfs/dbraw/zinc/49/24/89/609492489.db2.gz YYLWVENGXNPSBB-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc(-c3ccccn3)s2)cc1-c1nn[n-]n1 ZINC000824329960 609492490 /nfs/dbraw/zinc/49/24/90/609492490.db2.gz YYLWVENGXNPSBB-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM Cc1ccc([C@H]2CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)cc1 ZINC000826285820 609495402 /nfs/dbraw/zinc/49/54/02/609495402.db2.gz KRPVFWINPHYZCV-INIZCTEOSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1ccc([C@H]2CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)cc1 ZINC000826285820 609495403 /nfs/dbraw/zinc/49/54/03/609495403.db2.gz KRPVFWINPHYZCV-INIZCTEOSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1c(Cl)cnc(NCc2csc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826240212 609527156 /nfs/dbraw/zinc/52/71/56/609527156.db2.gz IUGKROGPUIMIMJ-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM Cc1c(Cl)cnc(NCc2csc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826240212 609527157 /nfs/dbraw/zinc/52/71/57/609527157.db2.gz IUGKROGPUIMIMJ-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM CN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834519 609589407 /nfs/dbraw/zinc/58/94/07/609589407.db2.gz XBGSXLDJYILBGX-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834519 609589409 /nfs/dbraw/zinc/58/94/09/609589409.db2.gz XBGSXLDJYILBGX-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826323038 609591227 /nfs/dbraw/zinc/59/12/27/609591227.db2.gz NCQJUMDTCYRWIH-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826323038 609591229 /nfs/dbraw/zinc/59/12/29/609591229.db2.gz NCQJUMDTCYRWIH-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CCOc1ccc([C@H](Nc2ncccc2-c2nnn[n-]2)C(C)C)cc1OCC ZINC000825639469 609598987 /nfs/dbraw/zinc/59/89/87/609598987.db2.gz WZARCGCWUBCHRK-GOSISDBHSA-N -1 3 382.468 3.868 20 0 GHADHM CCOc1ccc([C@H](Nc2ncccc2-c2nn[n-]n2)C(C)C)cc1OCC ZINC000825639469 609598990 /nfs/dbraw/zinc/59/89/90/609598990.db2.gz WZARCGCWUBCHRK-GOSISDBHSA-N -1 3 382.468 3.868 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825251873 609599778 /nfs/dbraw/zinc/59/97/78/609599778.db2.gz FFEGRUPDFCWEGI-LSDHHAIUSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825251873 609599780 /nfs/dbraw/zinc/59/97/80/609599780.db2.gz FFEGRUPDFCWEGI-LSDHHAIUSA-N -1 3 398.492 3.524 20 0 GHADHM O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000683516209 837409116 /nfs/dbraw/zinc/40/91/16/837409116.db2.gz AKAYCIJAQQOMPY-UHFFFAOYSA-N -1 3 386.280 3.873 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000613240535 837440428 /nfs/dbraw/zinc/44/04/28/837440428.db2.gz FNIXGXWTFIMKBM-GFCCVEGCSA-N -1 3 398.406 3.821 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2noc(C3CCCCC3)n2)[n-]c1-c1ccccc1 ZINC000186851317 837446204 /nfs/dbraw/zinc/44/62/04/837446204.db2.gz ICXWEBHRKKPJIC-UHFFFAOYSA-N -1 3 386.477 3.790 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2noc(C3CCCCC3)n2)nc1-c1ccccc1 ZINC000186851317 837446211 /nfs/dbraw/zinc/44/62/11/837446211.db2.gz ICXWEBHRKKPJIC-UHFFFAOYSA-N -1 3 386.477 3.790 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nccc3ccccc32)sc1Br ZINC000176823775 837548957 /nfs/dbraw/zinc/54/89/57/837548957.db2.gz CCUXUVNEAXGPQO-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM CC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000255072787 837558294 /nfs/dbraw/zinc/55/82/94/837558294.db2.gz QPLBXPQYPSNLIW-SEVUFMINSA-N -1 3 381.379 3.514 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)cc1 ZINC000414385626 837563456 /nfs/dbraw/zinc/56/34/56/837563456.db2.gz FOCXTGXDZIJPPK-UHFFFAOYSA-N -1 3 392.452 3.759 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)Nc2ncccc2OCc2cccc(Cl)c2)n1 ZINC000163354551 837570878 /nfs/dbraw/zinc/57/08/78/837570878.db2.gz IHNFNSRLQAEBJA-UHFFFAOYSA-N -1 3 398.854 3.869 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c(Cl)c(OC)c1 ZINC000414396278 837708916 /nfs/dbraw/zinc/70/89/16/837708916.db2.gz OCHBGRLBKPIMDG-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(O[C@H]2CCOC2)cc1 ZINC000583479959 834459581 /nfs/dbraw/zinc/45/95/81/834459581.db2.gz SMUPAFCAKYLSNN-AWEZNQCLSA-N -1 3 378.222 3.575 20 0 GHADHM CCCOc1cc(OC)ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784903371 834504106 /nfs/dbraw/zinc/50/41/06/834504106.db2.gz FRKPRMOTJFKWFY-UHFFFAOYSA-N -1 3 384.388 3.597 20 0 GHADHM CC1(C)CC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000583505577 834520258 /nfs/dbraw/zinc/52/02/58/834520258.db2.gz KPZPJSHNGXSURX-GFCCVEGCSA-N -1 3 383.673 3.862 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc(F)c(F)cc3F)c2)n1 ZINC000156890854 834622203 /nfs/dbraw/zinc/62/22/03/834622203.db2.gz NWURPSCHNGCKPP-UHFFFAOYSA-N -1 3 387.361 3.598 20 0 GHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cccc(Cl)c1Br ZINC000683142258 834681711 /nfs/dbraw/zinc/68/17/11/834681711.db2.gz CXRWASFTCQCBBA-LLVKDONJSA-N -1 3 386.698 3.721 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCC3C[C@H](C)O[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000583635582 834781674 /nfs/dbraw/zinc/78/16/74/834781674.db2.gz NATKPUGENQDXTO-KBPBESRZSA-N -1 3 384.480 3.873 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000177181060 837810589 /nfs/dbraw/zinc/81/05/89/837810589.db2.gz PSQGOABIVOUMAD-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM COc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1C1CC1 ZINC000511278589 834958826 /nfs/dbraw/zinc/95/88/26/834958826.db2.gz RSBUZNTZBDWSES-UHFFFAOYSA-N -1 3 386.249 3.657 20 0 GHADHM CC[C@H](CN(CC)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000583758420 834990292 /nfs/dbraw/zinc/99/02/92/834990292.db2.gz IFNOXTZTFRQEGP-IEBWSBKVSA-N -1 3 382.504 3.905 20 0 GHADHM CCCN(C(=O)c1ccc(C)cc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000157620897 835012146 /nfs/dbraw/zinc/01/21/46/835012146.db2.gz ASYDRKKAXKZHMX-UHFFFAOYSA-N -1 3 380.488 3.858 20 0 GHADHM O=C(Cc1ccccc1O[C@@H]1CCOC1)Nc1cc(Br)ccc1[O-] ZINC000583793267 835052016 /nfs/dbraw/zinc/05/20/16/835052016.db2.gz YCOZIQXEPVLGKW-CQSZACIVSA-N -1 3 392.249 3.504 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2cnn3c2nccc3-c2ccccc2)s1 ZINC000045082579 835084281 /nfs/dbraw/zinc/08/42/81/835084281.db2.gz FKCCNZMNYLUDPG-UHFFFAOYSA-N -1 3 378.461 3.699 20 0 GHADHM CCc1nnc([N-]C(=O)c2sc(COc3ccc(F)cc3)nc2C)s1 ZINC000014850904 835126802 /nfs/dbraw/zinc/12/68/02/835126802.db2.gz UVXASULZODZNPH-UHFFFAOYSA-N -1 3 378.454 3.836 20 0 GHADHM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1c([O-])cccc1Cl ZINC000655110777 835163824 /nfs/dbraw/zinc/16/38/24/835163824.db2.gz OCWFCBMPQUOHJL-UHFFFAOYSA-N -1 3 375.808 3.809 20 0 GHADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000583877673 835185453 /nfs/dbraw/zinc/18/54/53/835185453.db2.gz UPSQKNFLPNGBAE-SFHVURJKSA-N -1 3 375.465 3.797 20 0 GHADHM COc1ccc([C@H](NC(=O)NN=c2ccc(Cl)n[n-]2)c2ccc(C)cc2)cc1 ZINC000066360932 835190931 /nfs/dbraw/zinc/19/09/31/835190931.db2.gz FIVMNVLJNGWITJ-LJQANCHMSA-N -1 3 397.866 3.863 20 0 GHADHM COc1cc(CNC(=O)c2cc([O-])ccc2Cl)ccc1OCC(F)(F)F ZINC000685621876 835225955 /nfs/dbraw/zinc/22/59/55/835225955.db2.gz GKTLEIWEXCIUFE-UHFFFAOYSA-N -1 3 389.757 3.925 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c(C)c1)c1cccc(C)c1C ZINC001211603281 835273382 /nfs/dbraw/zinc/27/33/82/835273382.db2.gz VXLCYPLFBFROAH-LJQANCHMSA-N -1 3 393.480 3.642 20 0 GHADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCc2ccccc21 ZINC000429940643 844047080 /nfs/dbraw/zinc/04/70/80/844047080.db2.gz AYRBKFOVEBZPHT-INIZCTEOSA-N -1 3 385.265 3.670 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000030361907 835415743 /nfs/dbraw/zinc/41/57/43/835415743.db2.gz KRMYNOWMDLKUPS-HNNXBMFYSA-N -1 3 399.343 3.936 20 0 GHADHM Cc1cccc2[nH]c(CCC(=O)NCc3ccc([O-])c(Br)c3)nc21 ZINC000151631184 835677171 /nfs/dbraw/zinc/67/71/71/835677171.db2.gz WJQPVYIWTBTBOB-UHFFFAOYSA-N -1 3 388.265 3.588 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047269018 835681289 /nfs/dbraw/zinc/68/12/89/835681289.db2.gz AZLOAUKCFIMRRB-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)c(F)cc1F ZINC000512990197 844077674 /nfs/dbraw/zinc/07/76/74/844077674.db2.gz CONSTOHKUKANRJ-KDOFPFPSSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1cc(Br)oc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151643495 835688892 /nfs/dbraw/zinc/68/88/92/835688892.db2.gz LUEYUHFOSMZPAR-UHFFFAOYSA-N -1 3 389.043 3.749 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000151650917 835689837 /nfs/dbraw/zinc/68/98/37/835689837.db2.gz TVMYBBWVMCDOOG-QWHCGFSZSA-N -1 3 382.204 3.853 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000065794005 835697460 /nfs/dbraw/zinc/69/74/60/835697460.db2.gz MIZNQHLFZHYQSH-UHFFFAOYSA-N -1 3 377.510 3.539 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000471208298 835835577 /nfs/dbraw/zinc/83/55/77/835835577.db2.gz RYJVZBFWDHOKGZ-UHFFFAOYSA-N -1 3 387.333 3.526 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000278715299 835860243 /nfs/dbraw/zinc/86/02/43/835860243.db2.gz ONTYKKJJHSUUPI-UHFFFAOYSA-N -1 3 375.494 3.862 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)s1 ZINC000433409085 844108973 /nfs/dbraw/zinc/10/89/73/844108973.db2.gz FXBNJAHVKILABQ-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)c3cccc1c23 ZINC000180290138 836121720 /nfs/dbraw/zinc/12/17/20/836121720.db2.gz XBGVZMOLBJAEMG-UHFFFAOYSA-N -1 3 394.239 3.908 20 0 GHADHM C/C(=C/C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1OC(F)F ZINC000255047769 836221565 /nfs/dbraw/zinc/22/15/65/836221565.db2.gz CCLHJIDBXNLOGB-QXMHVHEDSA-N -1 3 396.415 3.702 20 0 GHADHM C[C@H]([N-]C(=O)c1sc(Cl)nc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000891941934 844145744 /nfs/dbraw/zinc/14/57/44/844145744.db2.gz AAMPNIBEVRISKZ-REOHCLBHSA-N -1 3 394.684 3.708 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3ccc(OC)c4cccnc34)no2)c1 ZINC000547784448 836423979 /nfs/dbraw/zinc/42/39/79/836423979.db2.gz BIECMXJXOGXLBY-UHFFFAOYSA-N -1 3 376.372 3.554 20 0 GHADHM NC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)cc1Cl ZINC000549720815 844166157 /nfs/dbraw/zinc/16/61/57/844166157.db2.gz POJSKKFOWUNRSU-UHFFFAOYSA-N -1 3 397.642 3.686 20 0 GHADHM O=C1[N-][C@@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1c(F)c(F)cc(F)c1F ZINC000683327561 836463375 /nfs/dbraw/zinc/46/33/75/836463375.db2.gz HWCQKQMMNSFJBO-AWEZNQCLSA-N -1 3 390.695 3.829 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1 ZINC000052025157 844178199 /nfs/dbraw/zinc/17/81/99/844178199.db2.gz FHNXXKAMQGJNST-UHFFFAOYSA-N -1 3 381.519 3.509 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(F)c(Br)c1 ZINC000174650372 836518162 /nfs/dbraw/zinc/51/81/62/836518162.db2.gz ZOKPDRNUSOVCTP-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000636115493 836714348 /nfs/dbraw/zinc/71/43/48/836714348.db2.gz QTHUVUITALCQFP-ZIAGYGMSSA-N -1 3 380.275 3.952 20 0 GHADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000175334976 836795045 /nfs/dbraw/zinc/79/50/45/836795045.db2.gz DHKRPOVKKOMHPF-OAQYLSRUSA-N -1 3 395.480 3.624 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CCCc2ccc(Cl)cc2)[n-]1 ZINC000155333034 836824271 /nfs/dbraw/zinc/82/42/71/836824271.db2.gz XWRJPAPSIUSZGL-DEOSSOPVSA-N -1 3 378.803 3.736 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)c(C)o1 ZINC000175844359 837019930 /nfs/dbraw/zinc/01/99/30/837019930.db2.gz NWNBXJZGFGTTSC-NSHDSACASA-N -1 3 396.896 3.515 20 0 GHADHM Cc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000016504372 837119239 /nfs/dbraw/zinc/11/92/39/837119239.db2.gz FXDOIQZTLGUSDA-UHFFFAOYSA-N -1 3 387.288 3.609 20 0 GHADHM Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000007977044 837181138 /nfs/dbraw/zinc/18/11/38/837181138.db2.gz LPAVDGNGZUJDTD-UHFFFAOYSA-N -1 3 398.459 3.865 20 0 GHADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cccc(C)c1[O-] ZINC000176118074 837189999 /nfs/dbraw/zinc/18/99/99/837189999.db2.gz LCJWCPLTRLBPRB-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(Cn2cccn2)c1 ZINC000471324841 837246398 /nfs/dbraw/zinc/24/63/98/837246398.db2.gz WWLPWMPQUDUTMC-UHFFFAOYSA-N -1 3 399.447 3.604 20 0 GHADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000613161320 837329390 /nfs/dbraw/zinc/32/93/90/837329390.db2.gz VVGCAUPDWCTUGP-DTWKUNHWSA-N -1 3 388.169 3.622 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc(Cl)c1[O-] ZINC000186662941 837340329 /nfs/dbraw/zinc/34/03/29/837340329.db2.gz IKKHVSKLVOPEMU-MRXNPFEDSA-N -1 3 380.847 3.616 20 0 GHADHM CCOC(=O)C1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCCC1 ZINC001125357031 837358097 /nfs/dbraw/zinc/35/80/97/837358097.db2.gz BLDZZXDRASQGMO-UHFFFAOYSA-N -1 3 390.224 3.533 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636287002 837384282 /nfs/dbraw/zinc/38/42/82/837384282.db2.gz RKARDHUJBOPHTR-CYBMUJFWSA-N -1 3 379.382 3.621 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(F)cc1F ZINC000024428104 837943831 /nfs/dbraw/zinc/94/38/31/837943831.db2.gz LHPRDUBFYPBWKO-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c([O-])c1 ZINC000613549965 837996713 /nfs/dbraw/zinc/99/67/13/837996713.db2.gz HFRLCJWDMQVRQO-UHFFFAOYSA-N -1 3 384.451 3.643 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)[C@@H](C(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000579958073 838056919 /nfs/dbraw/zinc/05/69/19/838056919.db2.gz PUEFHQXUDRWAPQ-HOTGVXAUSA-N -1 3 388.430 3.561 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3cnc4ccccc4n3)cc2)n1 ZINC000255134986 838307108 /nfs/dbraw/zinc/30/71/08/838307108.db2.gz PBKJXSBCBPLQFZ-KHPPLWFESA-N -1 3 383.411 3.753 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000031679648 838435553 /nfs/dbraw/zinc/43/55/53/838435553.db2.gz ASNJJPHCAFOSQD-HNNXBMFYSA-N -1 3 390.480 3.889 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1c([O-])cccc1O ZINC000180854982 838573918 /nfs/dbraw/zinc/57/39/18/838573918.db2.gz GJLBHNFOHHZFJQ-HHHXNRCGSA-N -1 3 381.453 3.799 20 0 GHADHM O=C([O-])c1cccc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000414639639 838724559 /nfs/dbraw/zinc/72/45/59/838724559.db2.gz PXOJPIAQNVTSPA-MRXNPFEDSA-N -1 3 393.270 3.977 20 0 GHADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cccc1C(F)(F)F ZINC000182612949 838755909 /nfs/dbraw/zinc/75/59/09/838755909.db2.gz BMMJAOBBBPEGBJ-MRXNPFEDSA-N -1 3 392.377 3.963 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893203394 838860773 /nfs/dbraw/zinc/86/07/73/838860773.db2.gz CJSZEJPCDKJSBJ-UHFFFAOYSA-N -1 3 384.436 3.655 20 0 GHADHM Cc1occc1CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183371228 838967584 /nfs/dbraw/zinc/96/75/84/838967584.db2.gz JHVUDNLCNWJSJH-NRFANRHFSA-N -1 3 392.455 3.813 20 0 GHADHM COC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000472682377 839103163 /nfs/dbraw/zinc/10/31/63/839103163.db2.gz IKWKNYBNRRJGGR-LJQANCHMSA-N -1 3 392.459 3.537 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)ccc1F ZINC000580236988 839106984 /nfs/dbraw/zinc/10/69/84/839106984.db2.gz WGKAOIWGWUPDAQ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(Cl)Cl)cc2)cc1 ZINC000183381678 839290088 /nfs/dbraw/zinc/29/00/88/839290088.db2.gz SIKLEYGAMSPLTH-UHFFFAOYSA-N -1 3 387.288 3.928 20 0 GHADHM O=C(NC1(c2noc(Cc3ccc([O-])c(F)c3)n2)CCCC1)c1ccccc1 ZINC000584572002 839346052 /nfs/dbraw/zinc/34/60/52/839346052.db2.gz QTDQGTVSBXNSTF-UHFFFAOYSA-N -1 3 381.407 3.704 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2ccc(C)cc2)c2ccc(Cl)cc2)no1 ZINC000377383457 839416923 /nfs/dbraw/zinc/41/69/23/839416923.db2.gz ILTNFNFAEQEDKA-KRWDZBQOSA-N -1 3 391.880 3.549 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cccc21 ZINC000683925980 839487293 /nfs/dbraw/zinc/48/72/93/839487293.db2.gz BYOSNFSRUBLTSR-INIZCTEOSA-N -1 3 384.860 3.665 20 0 GHADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000580456913 839585410 /nfs/dbraw/zinc/58/54/10/839585410.db2.gz WXDUFVULCYIFHG-VQIMIIECSA-N -1 3 386.879 3.636 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1c(Cl)cccc1Br ZINC000314243558 839689309 /nfs/dbraw/zinc/68/93/09/839689309.db2.gz RSWORPTVXWBGOJ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nccn1-c1ccccc1 ZINC000549272017 839735726 /nfs/dbraw/zinc/73/57/26/839735726.db2.gz XHGULWOCTLGTCA-UHFFFAOYSA-N -1 3 387.237 3.662 20 0 GHADHM Cc1cccc(COc2ccc(CNC(=O)NCc3ncccc3[O-])cc2)c1 ZINC000471589456 839759227 /nfs/dbraw/zinc/75/92/27/839759227.db2.gz QEHPNHVHUNCALM-UHFFFAOYSA-N -1 3 377.444 3.674 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000728705757 839954535 /nfs/dbraw/zinc/95/45/35/839954535.db2.gz WCEXMQSPSCPCNY-HJWRWDBZSA-N -1 3 387.848 3.915 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1Cl ZINC000047031917 840131065 /nfs/dbraw/zinc/13/10/65/840131065.db2.gz YSYOCPKMAFLEMK-ZDUSSCGKSA-N -1 3 389.304 3.702 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3c4ccccc4O[C@H]3C)cc2)cc(=O)[n-]1 ZINC000580856469 840339201 /nfs/dbraw/zinc/33/92/01/840339201.db2.gz MHQGBCGJXYACBC-YUNKPMOVSA-N -1 3 376.416 3.801 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417006496 840362664 /nfs/dbraw/zinc/36/26/64/840362664.db2.gz ZUQQNHYYFNJCRM-UHFFFAOYSA-N -1 3 383.370 3.716 20 0 GHADHM CS(=O)(=O)CCCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000759898527 840391478 /nfs/dbraw/zinc/39/14/78/840391478.db2.gz KPBHBOYGEMSRAO-UHFFFAOYSA-N -1 3 382.865 3.694 20 0 GHADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000549465237 840503041 /nfs/dbraw/zinc/50/30/41/840503041.db2.gz NJFMEBYBNKLUOQ-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000580953855 840517339 /nfs/dbraw/zinc/51/73/39/840517339.db2.gz FCSAQEFTYSFIGG-XOBRGWDASA-N -1 3 394.471 3.533 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1C(C)C ZINC000511766317 840690926 /nfs/dbraw/zinc/69/09/26/840690926.db2.gz AYSKNXXFDHGODE-UHFFFAOYSA-N -1 3 386.402 3.992 20 0 GHADHM CCOc1ccc(CC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610486165 840852663 /nfs/dbraw/zinc/85/26/63/840852663.db2.gz NYPCZZMIHJJCCM-UHFFFAOYSA-N -1 3 397.212 3.577 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnn(C4CCCCC4)c3C)nc21 ZINC000511627619 840859592 /nfs/dbraw/zinc/85/95/92/840859592.db2.gz LIMDVFPUEINMBL-UHFFFAOYSA-N -1 3 381.436 3.612 20 0 GHADHM C[S@@](=O)c1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000417587633 841035236 /nfs/dbraw/zinc/03/52/36/841035236.db2.gz ODLRANWCNAVEHH-AKJBCIBTSA-N -1 3 385.407 3.748 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 ZINC000069121324 841194783 /nfs/dbraw/zinc/19/47/83/841194783.db2.gz VDEQTXHCOOSFGY-LVMGUKCRSA-N -1 3 398.488 3.727 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)c(F)c1)c1cccc(Cl)c1F ZINC000549532069 841432316 /nfs/dbraw/zinc/43/23/16/841432316.db2.gz YZLWQXVWOGOGMY-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H](OCc3ccncc3)C2)c1C ZINC000581491962 841532192 /nfs/dbraw/zinc/53/21/92/841532192.db2.gz OKFRFZFODVSJEO-QGZVFWFLSA-N -1 3 377.444 3.740 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1)C1CCCCC1 ZINC000656617766 841572102 /nfs/dbraw/zinc/57/21/02/841572102.db2.gz QJCSMXBPGVOMDF-SFHVURJKSA-N -1 3 396.553 3.552 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000500183689 841586774 /nfs/dbraw/zinc/58/67/74/841586774.db2.gz MMURPALOMGPSTM-CQSZACIVSA-N -1 3 393.484 3.605 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCc2ccccc2Cl)c(OC)c(C)c1OC ZINC000656629287 841620930 /nfs/dbraw/zinc/62/09/30/841620930.db2.gz KYZKMZYHGTUIDI-UHFFFAOYSA-N -1 3 399.896 3.659 20 0 GHADHM CCCCN(C)C(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000156267828 841639163 /nfs/dbraw/zinc/63/91/63/841639163.db2.gz OFNFFAWIAIRUEN-UHFFFAOYSA-N -1 3 391.518 3.736 20 0 GHADHM CCc1c(NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1cccc(Cl)c1 ZINC000192130441 841673295 /nfs/dbraw/zinc/67/32/95/841673295.db2.gz KOEUFKGOZHRUDQ-UHFFFAOYSA-N -1 3 393.834 3.577 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)ccc2Br)c(C)c1 ZINC000656737605 841860023 /nfs/dbraw/zinc/86/00/23/841860023.db2.gz JMQWZGAPLJZGJQ-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1C)c1c(C)noc1C ZINC000119284760 841893331 /nfs/dbraw/zinc/89/33/31/841893331.db2.gz SUSFIOLAEFJTKW-JTQLQIEISA-N -1 3 393.328 3.853 20 0 GHADHM C[C@]1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCS1 ZINC000184184804 841898912 /nfs/dbraw/zinc/89/89/12/841898912.db2.gz HFFRAYKMGUBISZ-SIKLNZKXSA-N -1 3 398.528 3.655 20 0 GHADHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000473054454 841916884 /nfs/dbraw/zinc/91/68/84/841916884.db2.gz DDNDPQZDKMAANY-UHFFFAOYSA-N -1 3 399.516 3.608 20 0 GHADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000473131437 842010884 /nfs/dbraw/zinc/01/08/84/842010884.db2.gz HZGKWGMKWUVMSX-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM CCOc1ccc([C@H](NC(=O)NCc2ncccc2[O-])c2ccccc2)cc1 ZINC000471690130 842164528 /nfs/dbraw/zinc/16/45/28/842164528.db2.gz XCPPKVXKPMVANY-OAQYLSRUSA-N -1 3 377.444 3.775 20 0 GHADHM Cc1cc(C)nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000184249402 842238353 /nfs/dbraw/zinc/23/83/53/842238353.db2.gz KWCAGCMGNWARNL-FQEVSTJZSA-N -1 3 389.455 3.904 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000244060843 842320384 /nfs/dbraw/zinc/32/03/84/842320384.db2.gz TYQJGJFUHMZURS-UHFFFAOYSA-N -1 3 378.494 3.741 20 0 GHADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000007364680 842322838 /nfs/dbraw/zinc/32/28/38/842322838.db2.gz ICKIBEMNSDDEAA-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000730812595 861298424 /nfs/dbraw/zinc/29/84/24/861298424.db2.gz YLRZHHBUNIAMHU-UHFFFAOYSA-N -1 3 380.279 3.598 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000432477603 842627313 /nfs/dbraw/zinc/62/73/13/842627313.db2.gz NINNAJRJEKRULU-MRXNPFEDSA-N -1 3 380.897 3.834 20 0 GHADHM C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000652496991 842629476 /nfs/dbraw/zinc/62/94/76/842629476.db2.gz IBVOVXQFROLVCD-ATZDWAIDSA-N -1 3 377.444 3.869 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(c3ccc(OC)cn3)CC2)c([O-])c1 ZINC000652537849 842674290 /nfs/dbraw/zinc/67/42/90/842674290.db2.gz AEFLKGQCXVGRCK-UHFFFAOYSA-N -1 3 384.476 3.995 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000184463526 842774868 /nfs/dbraw/zinc/77/48/68/842774868.db2.gz TWTDZEBUKMZMMX-CQSZACIVSA-N -1 3 376.859 3.921 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000548368709 842826164 /nfs/dbraw/zinc/82/61/64/842826164.db2.gz PLNMGPOTJJHDGO-UHFFFAOYSA-N -1 3 376.522 3.756 20 0 GHADHM COc1ccccc1Oc1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000471847147 842827420 /nfs/dbraw/zinc/82/74/20/842827420.db2.gz QYKHIHXJBXHCGS-UHFFFAOYSA-N -1 3 379.416 3.588 20 0 GHADHM Cc1cc(Br)cc(C)c1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000606661869 842839149 /nfs/dbraw/zinc/83/91/49/842839149.db2.gz VXMRVJGMTHDCGA-UHFFFAOYSA-N -1 3 381.245 3.910 20 0 GHADHM O=C(CC1CCCC1)NC1CCC(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CC1 ZINC000512186316 842841800 /nfs/dbraw/zinc/84/18/00/842841800.db2.gz RZTNAERLJQLJEN-UHFFFAOYSA-N -1 3 394.519 3.692 20 0 GHADHM CCN(Cc1cccc(Br)c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436750435 842890814 /nfs/dbraw/zinc/89/08/14/842890814.db2.gz WWOGZJFEXHNXAT-UHFFFAOYSA-N -1 3 378.222 3.546 20 0 GHADHM COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000254594829 842932697 /nfs/dbraw/zinc/93/26/97/842932697.db2.gz VGQFICBAUPEKSX-UHFFFAOYSA-N -1 3 383.629 3.581 20 0 GHADHM COc1ccc(Br)cc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663261866 842938028 /nfs/dbraw/zinc/93/80/28/842938028.db2.gz NOKRNOGLLXSPLS-JTQLQIEISA-N -1 3 384.192 3.591 20 0 GHADHM CCCn1nccc1CN[C@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000663261708 842938690 /nfs/dbraw/zinc/93/86/90/842938690.db2.gz FRIHFTKSHFMKDF-LRDDRELGSA-N -1 3 380.286 3.607 20 0 GHADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c([O-])cccc1F ZINC000185231596 843000364 /nfs/dbraw/zinc/00/03/64/843000364.db2.gz VZYPUJUJCZJANV-KRWDZBQOSA-N -1 3 394.450 3.736 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000436564289 843061003 /nfs/dbraw/zinc/06/10/03/843061003.db2.gz ROFMXSYTFMKVDS-CQSZACIVSA-N -1 3 390.233 3.861 20 0 GHADHM O=C(CCCCCc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000186410595 843078051 /nfs/dbraw/zinc/07/80/51/843078051.db2.gz 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O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000120698439 843573154 /nfs/dbraw/zinc/57/31/54/843573154.db2.gz FCOLUGBTHDYXJE-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@](C)(F)C3)c2)cc1 ZINC000500607720 843729196 /nfs/dbraw/zinc/72/91/96/843729196.db2.gz DPLLJQYIDXJKGA-FQEVSTJZSA-N -1 3 390.480 3.678 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nccs1 ZINC000429885106 843837589 /nfs/dbraw/zinc/83/75/89/843837589.db2.gz YTZMSUJRXWBFCP-MRVPVSSYSA-N -1 3 395.731 3.641 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1Br ZINC000429831496 843948461 /nfs/dbraw/zinc/94/84/61/843948461.db2.gz UQIIXCBLFKUIBN-SECBINFHSA-N -1 3 388.661 3.959 20 0 GHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433298360 843996101 /nfs/dbraw/zinc/99/61/01/843996101.db2.gz OFGGJNBHVSKSFH-UHFFFAOYSA-N -1 3 387.798 3.840 20 0 GHADHM COc1cccc(-c2nc(CN3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cs2)c1OC ZINC000262065470 845226502 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20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000424261303 850322542 /nfs/dbraw/zinc/32/25/42/850322542.db2.gz OXNUBWFDRFVFSL-YADHBBJMSA-N -1 3 394.515 3.806 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000908753446 850330435 /nfs/dbraw/zinc/33/04/35/850330435.db2.gz VLPAYFCMLWJVNU-WIYYLYMNSA-N -1 3 395.503 3.508 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000486994537 850334995 /nfs/dbraw/zinc/33/49/95/850334995.db2.gz GBEBHPVVOULXIS-AWEZNQCLSA-N -1 3 375.416 3.511 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000176097099 862120334 /nfs/dbraw/zinc/12/03/34/862120334.db2.gz RNRWVKCJQABOQT-UHFFFAOYSA-N -1 3 382.291 3.655 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000604347987 862124864 /nfs/dbraw/zinc/12/48/64/862124864.db2.gz MOVQAFKMLHLCTO-GFCCVEGCSA-N -1 3 392.974 3.545 20 0 GHADHM C[C@H]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H]1C(=O)[O-] ZINC000424416604 850447941 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3 378.416 3.842 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1Br ZINC000487276232 850635123 /nfs/dbraw/zinc/63/51/23/850635123.db2.gz XVTAVXCOLJUBJO-UHFFFAOYSA-N -1 3 388.308 3.980 20 0 GHADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000440042001 850731310 /nfs/dbraw/zinc/73/13/10/850731310.db2.gz IEWCYFHLZPEYIH-UHFFFAOYSA-N -1 3 383.444 3.809 20 0 GHADHM CCOC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)(C)C ZINC000600508306 862173209 /nfs/dbraw/zinc/17/32/09/862173209.db2.gz ASDAJXWRZJHWNB-AWEZNQCLSA-N -1 3 386.477 3.591 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000909854964 850809960 /nfs/dbraw/zinc/80/99/60/850809960.db2.gz GVAQJDYYRMSCDA-XMMPIXPASA-N -1 3 392.499 3.541 20 0 GHADHM CC[C@](CNC(=O)c1cccc(CN2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000909842499 850820407 /nfs/dbraw/zinc/82/04/07/850820407.db2.gz CZRXOSITACRMGQ-XMMPIXPASA-N -1 3 394.515 3.835 20 0 GHADHM O=C([O-])c1cccc2c1CCN(C(=O)c1cccc(CN3CCCCC3)c1)C2 ZINC000910067378 850985719 /nfs/dbraw/zinc/98/57/19/850985719.db2.gz ZUIAXDWSWFABLO-UHFFFAOYSA-N -1 3 378.472 3.569 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426629973 851031741 /nfs/dbraw/zinc/03/17/41/851031741.db2.gz SLVXWYASCNXDCN-KRWDZBQOSA-N -1 3 382.485 3.852 20 0 GHADHM COc1ccc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c(Br)c1[O-] ZINC000426629409 851033941 /nfs/dbraw/zinc/03/39/41/851033941.db2.gz CFADJRANZOZROL-GTNSWQLSSA-N -1 3 386.286 3.534 20 0 GHADHM COc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1C=O ZINC000910177556 851047315 /nfs/dbraw/zinc/04/73/15/851047315.db2.gz RLDKBJOWXSGNMD-SNVBAGLBSA-N -1 3 386.429 3.753 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)c(F)cc1F ZINC000440374775 851113924 /nfs/dbraw/zinc/11/39/24/851113924.db2.gz MAHOWROTRLDWJS-UHFFFAOYSA-N -1 3 395.475 3.527 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c(F)cc1F ZINC000440377139 851117099 /nfs/dbraw/zinc/11/70/99/851117099.db2.gz CGPKCXOBBWYNGC-UHFFFAOYSA-N -1 3 383.460 3.591 20 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CC1CCN([C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc2)CC1 ZINC000911245868 851641125 /nfs/dbraw/zinc/64/11/25/851641125.db2.gz CXSYBGMFFDNYIB-LHUXKHBRSA-N -1 3 382.460 3.580 20 0 GHADHM Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000911245833 851641222 /nfs/dbraw/zinc/64/12/22/851641222.db2.gz CCOKFUGYFLFMEJ-OAQYLSRUSA-N -1 3 380.488 3.896 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000911279637 851661183 /nfs/dbraw/zinc/66/11/83/851661183.db2.gz KUBZFXIJGCSVHY-GDBMZVCRSA-N -1 3 398.956 3.608 20 0 GHADHM CCO[C@@H](C)c1ncc(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000488673361 851699684 /nfs/dbraw/zinc/69/96/84/851699684.db2.gz HJAXYVVJPXKWLW-VIFPVBQESA-N -1 3 385.283 3.639 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4cccc(F)c4)C[C@@H]3C)nc2)n1 ZINC000488718374 851722578 /nfs/dbraw/zinc/72/25/78/851722578.db2.gz VWWLMAXTPBGGII-HNNXBMFYSA-N -1 3 393.466 3.661 20 0 GHADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(=O)c2ccccc2[n-]1 ZINC000488831268 851821844 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GHADHM CC[C@]1(C)CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436553998 852040965 /nfs/dbraw/zinc/04/09/65/852040965.db2.gz FQMQVYOXTXAPHM-NFBKMPQASA-N -1 3 380.488 3.902 20 0 GHADHM Cc1nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436540707 852052255 /nfs/dbraw/zinc/05/22/55/852052255.db2.gz ZTCLSBOBMMCQBZ-QGZVFWFLSA-N -1 3 381.457 3.657 20 0 GHADHM FC(F)(F)c1ccccc1Oc1ccc(CN=c2ncnc3[nH][n-]cc2-3)cn1 ZINC000506178419 852054713 /nfs/dbraw/zinc/05/47/13/852054713.db2.gz UPOZFDGNEAQMOH-UHFFFAOYSA-N -1 3 386.337 3.545 20 0 GHADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436543105 852057090 /nfs/dbraw/zinc/05/70/90/852057090.db2.gz JWUYMTNBXKBOBZ-QGZVFWFLSA-N -1 3 396.487 3.953 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436557252 852061336 /nfs/dbraw/zinc/06/13/36/852061336.db2.gz NHOSFZPAVZSSQM-TZIWHRDSSA-N -1 3 380.488 3.758 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC000436561427 852065216 /nfs/dbraw/zinc/06/52/16/852065216.db2.gz CBIIAAWSANKZAP-IBGZPJMESA-N -1 3 375.472 3.920 20 0 GHADHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436583937 852091987 /nfs/dbraw/zinc/09/19/87/852091987.db2.gz IAXKBTANLJEBTG-KFDHSVMUSA-N -1 3 385.529 3.793 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000436602659 852101818 /nfs/dbraw/zinc/10/18/18/852101818.db2.gz FQIJVIZEIANPCP-KOSHJBKYSA-N -1 3 395.499 3.588 20 0 GHADHM O=C(Nc1ccc(OCCO)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436606244 852106352 /nfs/dbraw/zinc/10/63/52/852106352.db2.gz QGMYFIRBFYHSRP-UHFFFAOYSA-N -1 3 379.412 3.595 20 0 GHADHM CCn1nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(=O)c2ccccc21 ZINC000436614028 852113644 /nfs/dbraw/zinc/11/36/44/852113644.db2.gz UKLVCWZCJHHHDE-UHFFFAOYSA-N -1 3 384.395 3.992 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000436626951 852120431 /nfs/dbraw/zinc/12/04/31/852120431.db2.gz QYQVZRMMNTVVHW-OIXWISFJSA-N -1 3 385.529 3.549 20 0 GHADHM CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436632067 852126311 /nfs/dbraw/zinc/12/63/11/852126311.db2.gz XRFAZVPJOPTKDB-QGZVFWFLSA-N -1 3 382.460 3.639 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2c([O-])cccc2O)c1 ZINC000436647359 852157651 /nfs/dbraw/zinc/15/76/51/852157651.db2.gz JEBVRAGMYOMGFJ-UHFFFAOYSA-N -1 3 377.400 3.672 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436688762 852198855 /nfs/dbraw/zinc/19/88/55/852198855.db2.gz LSRYRFFWQKSSRU-INIZCTEOSA-N -1 3 382.416 3.936 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ncccc2F)CC1 ZINC000436695197 852210456 /nfs/dbraw/zinc/21/04/56/852210456.db2.gz FEMPPHLZPRKGNU-UHFFFAOYSA-N -1 3 393.418 3.681 20 0 GHADHM CCCOc1c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cccc1OCC ZINC000436696648 852211231 /nfs/dbraw/zinc/21/12/31/852211231.db2.gz KAQHYECGALJWMO-UHFFFAOYSA-N -1 3 398.503 3.538 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)cc1F ZINC000122370013 852218299 /nfs/dbraw/zinc/21/82/99/852218299.db2.gz BUIUOBPUPIJAFE-NSHDSACASA-N -1 3 385.436 3.743 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000436727067 852228728 /nfs/dbraw/zinc/22/87/28/852228728.db2.gz XGRKUPFSGVLNJH-DLBZAZTESA-N -1 3 380.488 3.502 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436711679 852232384 /nfs/dbraw/zinc/23/23/84/852232384.db2.gz JWMIBTAWIIAHGC-UHFFFAOYSA-N -1 3 390.867 3.888 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c([O-])c1 ZINC000436717048 852238936 /nfs/dbraw/zinc/23/89/36/852238936.db2.gz VTVAJDGUDOVVOL-AWEZNQCLSA-N -1 3 389.293 3.719 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436722457 852248766 /nfs/dbraw/zinc/24/87/66/852248766.db2.gz JKNAOBXMOPFMJJ-MSOLQXFVSA-N -1 3 392.499 3.666 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c([O-])c1 ZINC000436745967 852266129 /nfs/dbraw/zinc/26/61/29/852266129.db2.gz BWFWBHWFTNDHKS-OAHLLOKOSA-N -1 3 385.439 3.514 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1CC(F)(F)F ZINC000436733511 852275088 /nfs/dbraw/zinc/27/50/88/852275088.db2.gz VZHWUIOZCLMVDF-HNNXBMFYSA-N -1 3 392.421 3.692 20 0 GHADHM CCn1cnnc1-c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436759166 852278059 /nfs/dbraw/zinc/27/80/59/852278059.db2.gz UKIGOPQFYVBKLS-UHFFFAOYSA-N -1 3 378.432 3.636 20 0 GHADHM COc1cc(NC(=O)c2ccc(C)cc2[O-])c(C(=O)N2CCCCC2)cc1OC ZINC000436759794 852279159 /nfs/dbraw/zinc/27/91/59/852279159.db2.gz GOIHXXDGWKOGRT-UHFFFAOYSA-N -1 3 398.459 3.596 20 0 GHADHM COc1cc(Br)c(CN[C@H](C)CCC[C@H](C)C(=O)[O-])c(OC)c1 ZINC000426699752 852282849 /nfs/dbraw/zinc/28/28/49/852282849.db2.gz LXXDMCQSECPZJY-NWDGAFQWSA-N -1 3 388.302 3.835 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849768 852285304 /nfs/dbraw/zinc/28/53/04/852285304.db2.gz LKTIFWGDBCRKOS-OAHLLOKOSA-N -1 3 384.263 3.788 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c([O-])c1 ZINC000436748923 852289148 /nfs/dbraw/zinc/28/91/48/852289148.db2.gz WDHVFYIBUVRBOW-UHFFFAOYSA-N -1 3 394.515 3.778 20 0 GHADHM Cn1cnnc1Sc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436752750 852296256 /nfs/dbraw/zinc/29/62/56/852296256.db2.gz BKZNCKZATRONGZ-UHFFFAOYSA-N -1 3 380.473 3.803 20 0 GHADHM CCSCc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000438354009 852317419 /nfs/dbraw/zinc/31/74/19/852317419.db2.gz CCTOTBKZBPEBSE-UHFFFAOYSA-N -1 3 399.516 3.635 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436767855 852323590 /nfs/dbraw/zinc/32/35/90/852323590.db2.gz HGBOBOCXJKKNPG-UHFFFAOYSA-N -1 3 399.516 3.883 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(OC)cc3c2O[C@H](C)C3)cc1 ZINC000426734897 852331538 /nfs/dbraw/zinc/33/15/38/852331538.db2.gz BWBVCYVSDWYDKJ-JLTOFOAXSA-N -1 3 385.460 3.723 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000436784370 852337448 /nfs/dbraw/zinc/33/74/48/852337448.db2.gz XDEPZXAGZWDWET-BLVKFPJESA-N -1 3 380.448 3.744 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Br)c(F)c2)c1 ZINC000426761923 852369217 /nfs/dbraw/zinc/36/92/17/852369217.db2.gz FMQHLWGCFAPNSK-INIZCTEOSA-N -1 3 382.229 3.902 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](c3cccc(F)c3)N(C)C)c12 ZINC000516296678 852382261 /nfs/dbraw/zinc/38/22/61/852382261.db2.gz JGDHZHAUMYABFI-AWEZNQCLSA-N -1 3 388.468 3.860 20 0 GHADHM C/C(=C/c1ccccc1)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820002 852388071 /nfs/dbraw/zinc/38/80/71/852388071.db2.gz PGCIGUZXCIBEQR-DNCJFXNASA-N -1 3 378.472 3.559 20 0 GHADHM Cc1cscc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819836 852388383 /nfs/dbraw/zinc/38/83/83/852388383.db2.gz ORONJGPGDWKOFR-FQEVSTJZSA-N -1 3 394.496 3.940 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C(C)C)cc1OC ZINC000489486214 852395742 /nfs/dbraw/zinc/39/57/42/852395742.db2.gz QYSHESLZWFMKNZ-HOTGVXAUSA-N -1 3 397.541 3.793 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000426789502 852399305 /nfs/dbraw/zinc/39/93/05/852399305.db2.gz VJUQNDBLARGNNX-QGZVFWFLSA-N -1 3 383.366 3.942 20 0 GHADHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436842969 852407747 /nfs/dbraw/zinc/40/77/47/852407747.db2.gz YKJWZFCYQZTGRD-ZTQAJYAQSA-N -1 3 381.428 3.598 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OC(F)F)c2)cc1OC ZINC000426808580 852419536 /nfs/dbraw/zinc/41/95/36/852419536.db2.gz NJHIPLWXJTVTHQ-OAHLLOKOSA-N -1 3 381.375 3.611 20 0 GHADHM COc1ccc([C@H](NCc2ccc(C)c(Br)c2)C(=O)[O-])cc1F ZINC000426821538 852433280 /nfs/dbraw/zinc/43/32/80/852433280.db2.gz UHWSTBJOSNPFRS-INIZCTEOSA-N -1 3 382.229 3.821 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OCc1ccncc1 ZINC000426824125 852435279 /nfs/dbraw/zinc/43/52/79/852435279.db2.gz GPOPAEQPFOXKBM-NRFANRHFSA-N -1 3 396.418 3.724 20 0 GHADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000426830135 852443328 /nfs/dbraw/zinc/44/33/28/852443328.db2.gz VMLSHBZMIJDKOX-LJQANCHMSA-N -1 3 377.412 3.547 20 0 GHADHM CCc1ccc(-c2nc(Cc3cc(Br)cnc3OC)no2)c([O-])c1 ZINC000436857433 852444280 /nfs/dbraw/zinc/44/42/80/852444280.db2.gz CQKXMTOXFXDXHY-UHFFFAOYSA-N -1 3 390.237 3.762 20 0 GHADHM Cc1cccc2cc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)sc21 ZINC000436894129 852445230 /nfs/dbraw/zinc/44/52/30/852445230.db2.gz PJSVUYXXAMNABG-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM O=C(N1CCc2c(=O)[n-]cnc2C1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000287901684 852445704 /nfs/dbraw/zinc/44/57/04/852445704.db2.gz RAZVXEFCGBXJFN-UHFFFAOYSA-N -1 3 385.895 3.914 20 0 GHADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436903818 852468894 /nfs/dbraw/zinc/46/88/94/852468894.db2.gz VBERYQXMXIEFIK-NQIIRXRSSA-N -1 3 392.411 3.545 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc(O)cc2[O-])on1 ZINC000436897388 852484672 /nfs/dbraw/zinc/48/46/72/852484672.db2.gz YCOLCYHCRRMWTR-UHFFFAOYSA-N -1 3 390.395 3.845 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000436899541 852485733 /nfs/dbraw/zinc/48/57/33/852485733.db2.gz FMPPMLMXJBWEQN-HNNXBMFYSA-N -1 3 380.213 3.977 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436919528 852501428 /nfs/dbraw/zinc/50/14/28/852501428.db2.gz OFVQBQCMSRCCRR-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)c(F)cc1F ZINC000506262261 852508340 /nfs/dbraw/zinc/50/83/40/852508340.db2.gz CXLNWBATGZNUJZ-QGZVFWFLSA-N -1 3 395.475 3.941 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(Nc2ncnc3cc(Cl)ccc32)CC1 ZINC000436933377 852514804 /nfs/dbraw/zinc/51/48/04/852514804.db2.gz BVOIUHRQHLIUGP-UHFFFAOYSA-N -1 3 382.851 3.706 20 0 GHADHM Cc1c2cc(F)ccc2oc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436946221 852527478 /nfs/dbraw/zinc/52/74/78/852527478.db2.gz RBYQTWFBJJOLQL-UHFFFAOYSA-N -1 3 396.418 3.621 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000473851328 852536359 /nfs/dbraw/zinc/53/63/59/852536359.db2.gz QPSBAAJRLNGDFL-FQEVSTJZSA-N -1 3 399.454 3.788 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436959895 852549989 /nfs/dbraw/zinc/54/99/89/852549989.db2.gz FNCBIHCNKMFXNF-DYESRHJHSA-N -1 3 394.515 3.868 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(CC(F)(F)F)cc2)c([O-])c1 ZINC000436972134 852554744 /nfs/dbraw/zinc/55/47/44/852554744.db2.gz RKOGKYAAYUOEHQ-UHFFFAOYSA-N -1 3 380.366 3.564 20 0 GHADHM CC12CC3(C)CC(C)(C1)CC(C(=O)NCCNC(=O)c1ccc([O-])cc1)(C2)C3 ZINC000436996319 852586455 /nfs/dbraw/zinc/58/64/55/852586455.db2.gz KFVNYLVVRVUKTN-UHFFFAOYSA-N -1 3 384.520 3.625 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]cc3-c3ccccc3F)nc21 ZINC000427056671 852675200 /nfs/dbraw/zinc/67/52/00/852675200.db2.gz ITOKSHBDIVTZBC-UHFFFAOYSA-N -1 3 378.363 3.736 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2csc(-c3ncccc3F)n2)[nH][n-]1 ZINC000507262790 852725219 /nfs/dbraw/zinc/72/52/19/852725219.db2.gz KKCSJGDYMRWHIE-UHFFFAOYSA-N -1 3 379.420 3.717 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1C ZINC000473854993 852744961 /nfs/dbraw/zinc/74/49/61/852744961.db2.gz HVFYZPMSYPRGLY-FQEVSTJZSA-N -1 3 389.455 3.783 20 0 GHADHM Cc1ccc(-n2nc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c3c2CCC3)c(C)c1 ZINC000518049226 852767021 /nfs/dbraw/zinc/76/70/21/852767021.db2.gz QWNZCBPSYLSQAQ-UHFFFAOYSA-N -1 3 388.431 3.608 20 0 GHADHM COC(=O)c1c(F)cc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)cc1F ZINC001270389014 852839539 /nfs/dbraw/zinc/83/95/39/852839539.db2.gz LQJNGCVJXWOVJI-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM CCN(C(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1)c1ccccc1 ZINC000490420237 853006540 /nfs/dbraw/zinc/00/65/40/853006540.db2.gz RQMUXKZILVSQRD-MRXNPFEDSA-N -1 3 397.500 3.600 20 0 GHADHM CCCc1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000518185973 853033986 /nfs/dbraw/zinc/03/39/86/853033986.db2.gz WJHNVGRMZRWBKT-KRWDZBQOSA-N -1 3 387.553 3.507 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cs1 ZINC000473860289 853040837 /nfs/dbraw/zinc/04/08/37/853040837.db2.gz RMGVSEZIPAEFOB-ZETCQYMHSA-N -1 3 399.296 3.775 20 0 GHADHM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(C)cc2CN(C)C)n1 ZINC000438900500 853078158 /nfs/dbraw/zinc/07/81/58/853078158.db2.gz XGCGMWWXDFTZIK-UHFFFAOYSA-N -1 3 378.476 3.763 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(Cl)cc1F ZINC000507598189 853089523 /nfs/dbraw/zinc/08/95/23/853089523.db2.gz UHNIQKHKBBURFJ-UHFFFAOYSA-N -1 3 386.807 3.612 20 0 GHADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000490666762 853169221 /nfs/dbraw/zinc/16/92/21/853169221.db2.gz BCJHNGUVTLNZMR-LLVKDONJSA-N -1 3 386.249 3.915 20 0 GHADHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1ccc(Br)cn1 ZINC000427515585 853185860 /nfs/dbraw/zinc/18/58/60/853185860.db2.gz UBVMDBWQIVFXPE-INIZCTEOSA-N -1 3 393.262 3.505 20 0 GHADHM CC[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1 ZINC000913299972 853210667 /nfs/dbraw/zinc/21/06/67/853210667.db2.gz VFVTUCMOZVNXGT-CQSZACIVSA-N -1 3 387.823 3.747 20 0 GHADHM CC[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1 ZINC000913299972 853210675 /nfs/dbraw/zinc/21/06/75/853210675.db2.gz VFVTUCMOZVNXGT-CQSZACIVSA-N -1 3 387.823 3.747 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC000029567283 853234363 /nfs/dbraw/zinc/23/43/63/853234363.db2.gz RWJOFZLVKMZHJC-UHFFFAOYSA-N -1 3 389.477 3.703 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000439049948 853236290 /nfs/dbraw/zinc/23/62/90/853236290.db2.gz APSHIEDGZRRXKR-UHFFFAOYSA-N -1 3 380.488 3.678 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2cccc(Cl)c2F)no1 ZINC000366675882 853278450 /nfs/dbraw/zinc/27/84/50/853278450.db2.gz CSNROPQBGNTXGH-UHFFFAOYSA-N -1 3 397.797 3.574 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Br)ccc3F)nc21 ZINC000157783915 862449721 /nfs/dbraw/zinc/44/97/21/862449721.db2.gz STACKNPTNDMZOI-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]C1(c2nccs2)CCCC1 ZINC000604769601 862461723 /nfs/dbraw/zinc/46/17/23/862461723.db2.gz KYNOSBVYCITDGT-UHFFFAOYSA-N -1 3 389.502 3.687 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccccc1Cl ZINC000440614159 853437367 /nfs/dbraw/zinc/43/73/67/853437367.db2.gz FYBVXJTXJBSGRU-UHFFFAOYSA-N -1 3 391.880 3.760 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000151459368 853458007 /nfs/dbraw/zinc/45/80/07/853458007.db2.gz KJEVUHAIPIBSTI-OAHLLOKOSA-N -1 3 390.430 3.555 20 0 GHADHM COc1ccc(-c2cnc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)o2)cc1 ZINC000518533351 853459372 /nfs/dbraw/zinc/45/93/72/853459372.db2.gz WLKWAZDVXKJSHO-MOPGFXCFSA-N -1 3 378.428 3.650 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Br)s1 ZINC000604772874 862470163 /nfs/dbraw/zinc/47/01/63/862470163.db2.gz UFMDDVPYFCUHAQ-XCBNKYQSSA-N -1 3 394.262 3.623 20 0 GHADHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000519826702 853516256 /nfs/dbraw/zinc/51/62/56/853516256.db2.gz MJORKHBJBZNXJY-HZMBPMFUSA-N -1 3 381.295 3.868 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1OC ZINC000437833218 853562915 /nfs/dbraw/zinc/56/29/15/853562915.db2.gz AWWOLPMNJNSBBN-DOTOQJQBSA-N -1 3 395.525 3.547 20 0 GHADHM O=C(COC(=O)c1cc2c(s1)-c1ccccc1CC2)[N-]C(=O)c1cccs1 ZINC000007089968 853569452 /nfs/dbraw/zinc/56/94/52/853569452.db2.gz XIQHSDGODQSKKY-UHFFFAOYSA-N -1 3 397.477 3.689 20 0 GHADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCOC(C)(C)C1 ZINC000291093749 853574616 /nfs/dbraw/zinc/57/46/16/853574616.db2.gz SQEICXMOINQFMK-CYBMUJFWSA-N -1 3 385.302 3.644 20 0 GHADHM COCCOc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000519945795 853636265 /nfs/dbraw/zinc/63/62/65/853636265.db2.gz NVJMMLUQABTDMT-UHFFFAOYSA-N -1 3 394.431 3.827 20 0 GHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000506571885 853654403 /nfs/dbraw/zinc/65/44/03/853654403.db2.gz VIERSXPPWSYZIF-UHFFFAOYSA-N -1 3 397.287 3.559 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1C ZINC000570961048 853661373 /nfs/dbraw/zinc/66/13/73/853661373.db2.gz DFHWWXAHDYHBRX-UHFFFAOYSA-N -1 3 380.775 3.872 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000571033803 853698882 /nfs/dbraw/zinc/69/88/82/853698882.db2.gz YMPQQUJGHLHZMV-DOTOQJQBSA-N -1 3 393.409 3.813 20 0 GHADHM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440984816 853795453 /nfs/dbraw/zinc/79/54/53/853795453.db2.gz SHAKJJPLLYEWKO-INIZCTEOSA-N -1 3 394.393 3.877 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCO[C@H]1CCCC[C@@H]1C)CC2 ZINC000571410704 853871673 /nfs/dbraw/zinc/87/16/73/853871673.db2.gz VOABDBAHUBQNNH-SNRMKQJTSA-N -1 3 391.508 3.673 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000729486858 854038533 /nfs/dbraw/zinc/03/85/33/854038533.db2.gz GCIZRCHIDPOIRT-CQSZACIVSA-N -1 3 388.320 3.855 20 0 GHADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000188353742 854040149 /nfs/dbraw/zinc/04/01/49/854040149.db2.gz NWSCHEHDJVPMDQ-UHFFFAOYSA-N -1 3 384.910 3.565 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732833694 862532830 /nfs/dbraw/zinc/53/28/30/862532830.db2.gz DPASSAJRBOXQCA-HXUWFJFHSA-N -1 3 392.499 3.600 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588216332 854219562 /nfs/dbraw/zinc/21/95/62/854219562.db2.gz FMVQOWIMBUPKGR-LJQANCHMSA-N -1 3 375.472 3.920 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c(C)c1 ZINC000588633623 854320899 /nfs/dbraw/zinc/32/08/99/854320899.db2.gz RWOZLNGDWZRENV-UHFFFAOYSA-N -1 3 398.488 3.775 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473936679 854368071 /nfs/dbraw/zinc/36/80/71/854368071.db2.gz KMBQSXJYKKBPEC-XHDPSFHLSA-N -1 3 389.926 3.773 20 0 GHADHM Cc1cc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000572183864 854435398 /nfs/dbraw/zinc/43/53/98/854435398.db2.gz HZPAUFCPINOGTE-AWEZNQCLSA-N -1 3 385.855 3.574 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328659994 854493069 /nfs/dbraw/zinc/49/30/69/854493069.db2.gz UOJPDXQEKNUIRQ-ZDUSSCGKSA-N -1 3 395.438 3.672 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000328833816 854567563 /nfs/dbraw/zinc/56/75/63/854567563.db2.gz RVIZRNNDNGWDKH-MISYRCLQSA-N -1 3 396.491 3.705 20 0 GHADHM CCN(C)[C@@H](C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1)c1ccccc1 ZINC000068424519 854581416 /nfs/dbraw/zinc/58/14/16/854581416.db2.gz UNTQATDLRAPUJP-GOSISDBHSA-N -1 3 399.564 3.675 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccc3)c3ccccn3)nc2)n1 ZINC000068659319 854605234 /nfs/dbraw/zinc/60/52/34/854605234.db2.gz PPHHAHJAQFXZMU-JOCHJYFZSA-N -1 3 383.455 3.991 20 0 GHADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc(Br)ccc1[O-] ZINC000536319954 854818180 /nfs/dbraw/zinc/81/81/80/854818180.db2.gz KIOBKTAAZZQZCH-SNVBAGLBSA-N -1 3 378.222 3.668 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000652767685 854879983 /nfs/dbraw/zinc/87/99/83/854879983.db2.gz IXCTYNREERRPQE-UHFFFAOYSA-N -1 3 380.423 3.628 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1C(N)=O ZINC000032086834 855070883 /nfs/dbraw/zinc/07/08/83/855070883.db2.gz XBMXPVUHFARXAN-UHFFFAOYSA-N -1 3 384.432 3.701 20 0 GHADHM O=C([N-]NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1F ZINC000056838155 855092126 /nfs/dbraw/zinc/09/21/26/855092126.db2.gz REIPFJXHFYWSGJ-UHFFFAOYSA-N -1 3 399.372 3.838 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1NC(N)=O ZINC000487388936 855151788 /nfs/dbraw/zinc/15/17/88/855151788.db2.gz AXHZCOBPVUPRQC-UHFFFAOYSA-N -1 3 391.493 3.529 20 0 GHADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccsc1Cl ZINC000189740735 855188478 /nfs/dbraw/zinc/18/84/78/855188478.db2.gz WESINQTWQPEJHE-UHFFFAOYSA-N -1 3 382.850 3.537 20 0 GHADHM Cc1ccc(NC(=O)c2c(C)cccc2[O-])cc1NC(=O)CN1CCCCC1 ZINC000624714927 855198246 /nfs/dbraw/zinc/19/82/46/855198246.db2.gz ALXAKDHBYNYJQJ-UHFFFAOYSA-N -1 3 381.476 3.686 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000190083157 855267466 /nfs/dbraw/zinc/26/74/66/855267466.db2.gz KMRRHTQRLQEQHD-UHFFFAOYSA-N -1 3 396.487 3.559 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2C[C@H]1C ZINC000055619426 855360672 /nfs/dbraw/zinc/36/06/72/855360672.db2.gz GLHYIJKWLGXXPW-CQSZACIVSA-N -1 3 388.489 3.572 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000055676657 855374382 /nfs/dbraw/zinc/37/43/82/855374382.db2.gz FCMFIRQSLPGGTM-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000590495605 855436358 /nfs/dbraw/zinc/43/63/58/855436358.db2.gz RVBWFCYNUFAYAN-UHFFFAOYSA-N -1 3 393.424 3.630 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)CC2)cc1Cl ZINC000190664853 855629442 /nfs/dbraw/zinc/62/94/42/855629442.db2.gz OOWBSUCABPOMFT-CMPLNLGQSA-N -1 3 376.881 3.685 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000482137472 862723443 /nfs/dbraw/zinc/72/34/43/862723443.db2.gz DPJHKOMHPRBAQN-CTYIDZIISA-N -1 3 385.265 3.586 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCC[C@H]1C ZINC000192735447 855837887 /nfs/dbraw/zinc/83/78/87/855837887.db2.gz NDWFPHPJUUZBFY-OAHLLOKOSA-N -1 3 390.480 3.950 20 0 GHADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000591390922 855943599 /nfs/dbraw/zinc/94/35/99/855943599.db2.gz DSUCFKABCKGYMJ-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccc1F ZINC000591368199 855953018 /nfs/dbraw/zinc/95/30/18/855953018.db2.gz WZQMLSGFRVITSF-UHFFFAOYSA-N -1 3 390.358 3.777 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1nc(C)cs1 ZINC000591399201 855981464 /nfs/dbraw/zinc/98/14/64/855981464.db2.gz XTNGMWITSQHMPP-OAHLLOKOSA-N -1 3 377.491 3.677 20 0 GHADHM Cc1cc([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)no1 ZINC000027886126 855983463 /nfs/dbraw/zinc/98/34/63/855983463.db2.gz HKRQCPMWEGIFGZ-AWEZNQCLSA-N -1 3 382.445 3.878 20 0 GHADHM COc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000591440551 855988463 /nfs/dbraw/zinc/98/84/63/855988463.db2.gz XUUOCVLBRYKDST-UHFFFAOYSA-N -1 3 388.379 3.623 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2csc(C(F)(F)F)c2)n[n-]1 ZINC000895104744 856024912 /nfs/dbraw/zinc/02/49/12/856024912.db2.gz IZHDBDRQAGSHDL-NSHDSACASA-N -1 3 390.431 3.939 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2csc(C(F)(F)F)c2)[n-]1 ZINC000895104744 856024922 /nfs/dbraw/zinc/02/49/22/856024922.db2.gz IZHDBDRQAGSHDL-NSHDSACASA-N -1 3 390.431 3.939 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2csc(C(F)(F)F)c2)n1 ZINC000895104744 856024931 /nfs/dbraw/zinc/02/49/31/856024931.db2.gz IZHDBDRQAGSHDL-NSHDSACASA-N -1 3 390.431 3.939 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000674258359 856075668 /nfs/dbraw/zinc/07/56/68/856075668.db2.gz JTLAFISJWWLNCE-UHFFFAOYSA-N -1 3 385.470 3.951 20 0 GHADHM CCC(C)(C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000190762206 856099784 /nfs/dbraw/zinc/09/97/84/856099784.db2.gz KOLJKILMQZNSCP-UHFFFAOYSA-N -1 3 381.904 3.842 20 0 GHADHM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000030532156 856110128 /nfs/dbraw/zinc/11/01/28/856110128.db2.gz CNYFSRGMIWZFJK-UHFFFAOYSA-N -1 3 397.880 3.947 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)[C@H]3CCCO3)cc2)cc1 ZINC000905011615 856114503 /nfs/dbraw/zinc/11/45/03/856114503.db2.gz ABHVISQBLIYHHN-DNVCBOLYSA-N -1 3 388.489 3.549 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc2c([nH]c1=O)CCCCC2 ZINC000485131053 856130181 /nfs/dbraw/zinc/13/01/81/856130181.db2.gz LZLVUBQYMVHDLA-UHFFFAOYSA-N -1 3 389.415 3.840 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc2c([nH]c1=O)CCCCC2 ZINC000485131053 856130186 /nfs/dbraw/zinc/13/01/86/856130186.db2.gz LZLVUBQYMVHDLA-UHFFFAOYSA-N -1 3 389.415 3.840 20 0 GHADHM CCN(CC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000031377025 856164676 /nfs/dbraw/zinc/16/46/76/856164676.db2.gz RSXIFLJPROJOEC-UHFFFAOYSA-N -1 3 378.469 3.745 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(Cl)c1F ZINC000520740078 856285284 /nfs/dbraw/zinc/28/52/84/856285284.db2.gz VNPVEOIYHRNMEK-RHSMWYFYSA-N -1 3 387.835 3.817 20 0 GHADHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000671681636 856367340 /nfs/dbraw/zinc/36/73/40/856367340.db2.gz DVMTUCFJJQWMSN-UHFFFAOYSA-N -1 3 385.835 3.721 20 0 GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000195385180 856371593 /nfs/dbraw/zinc/37/15/93/856371593.db2.gz QHXVNLLFAJLPAV-AWEZNQCLSA-N -1 3 384.457 3.617 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N(Cc1ccccc1)C1CC1 ZINC000482189676 862788975 /nfs/dbraw/zinc/78/89/75/862788975.db2.gz YUAXNDOSEMXFRX-UHFFFAOYSA-N -1 3 385.265 3.715 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000265751910 856456895 /nfs/dbraw/zinc/45/68/95/856456895.db2.gz GHRQGZKRQYHFOY-UHFFFAOYSA-N -1 3 392.377 3.614 20 0 GHADHM COC(=O)Cc1sc(NC(=O)c2cccc(C)c2[O-])nc1-c1ccccc1 ZINC000195612489 856484479 /nfs/dbraw/zinc/48/44/79/856484479.db2.gz VHEAXSCOPDVOBG-UHFFFAOYSA-N -1 3 382.441 3.792 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485419477 856496761 /nfs/dbraw/zinc/49/67/61/856496761.db2.gz TWXLVYSXFAZAHT-UHFFFAOYSA-N -1 3 381.469 3.796 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000436843074 856595501 /nfs/dbraw/zinc/59/55/01/856595501.db2.gz GALQTXRTEXWMLM-LJQANCHMSA-N -1 3 375.371 3.823 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482215537 862814861 /nfs/dbraw/zinc/81/48/61/862814861.db2.gz UWIINICODCGHJJ-NSHDSACASA-N -1 3 391.269 3.563 20 0 GHADHM CSc1nc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)n[n-]1 ZINC000592037814 856634181 /nfs/dbraw/zinc/63/41/81/856634181.db2.gz QTSWNESEYKOMNE-UHFFFAOYSA-N -1 3 388.880 3.940 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1Oc1ccncc1 ZINC000485501873 856671048 /nfs/dbraw/zinc/67/10/48/856671048.db2.gz DUKWJBNLGPFLPX-UHFFFAOYSA-N -1 3 388.383 3.710 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000605182603 862828779 /nfs/dbraw/zinc/82/87/79/862828779.db2.gz KXWUUFWPDDHILW-FQEVSTJZSA-N -1 3 386.879 3.823 20 0 GHADHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000281063136 862829805 /nfs/dbraw/zinc/82/98/05/862829805.db2.gz YVGSABRENUUBQS-UHFFFAOYSA-N -1 3 378.444 3.780 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000625731299 856752067 /nfs/dbraw/zinc/75/20/67/856752067.db2.gz JTMVGGKOAAFBLM-AWEZNQCLSA-N -1 3 392.253 3.783 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1OCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000427809531 856753560 /nfs/dbraw/zinc/75/35/60/856753560.db2.gz VAGWMUYERGUFQO-SJORKVTESA-N -1 3 385.407 3.520 20 0 GHADHM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000672173756 856769765 /nfs/dbraw/zinc/76/97/65/856769765.db2.gz JSBPUTAPPRVWEE-ACJLOTCBSA-N -1 3 379.378 3.775 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)CSc1cccc2cccc(Cl)c21 ZINC001128847452 856852814 /nfs/dbraw/zinc/85/28/14/856852814.db2.gz NWXVEZPNDZMZND-UHFFFAOYSA-N -1 3 375.837 3.734 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)CSc1cccc2cccc(Cl)c21 ZINC001128847452 856852838 /nfs/dbraw/zinc/85/28/38/856852838.db2.gz NWXVEZPNDZMZND-UHFFFAOYSA-N -1 3 375.837 3.734 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cn1 ZINC000508058301 856862186 /nfs/dbraw/zinc/86/21/86/856862186.db2.gz UTNZAXWYPHTNQF-MRXNPFEDSA-N -1 3 399.394 3.544 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000427982600 856938695 /nfs/dbraw/zinc/93/86/95/856938695.db2.gz HIYFJPNIHLJTCJ-UHFFFAOYSA-N -1 3 397.179 3.650 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc([C@H]3CCOC3)c2)c(C(=O)OCC)[n-]1 ZINC000485701682 856978080 /nfs/dbraw/zinc/97/80/80/856978080.db2.gz PEMRLOCEDVXMQA-INIZCTEOSA-N -1 3 385.464 3.685 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000056365674 857043061 /nfs/dbraw/zinc/04/30/61/857043061.db2.gz JWTHPFXCBIIVMW-UHFFFAOYSA-N -1 3 396.874 3.660 20 0 GHADHM CC(C)(C)OC(=O)C1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000592873915 857118857 /nfs/dbraw/zinc/11/88/57/857118857.db2.gz PCORCTGOTSOJFF-UHFFFAOYSA-N -1 3 379.472 3.824 20 0 GHADHM O=S1(=O)[N-]C(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)=Nc2ccccc21 ZINC000485879480 857181570 /nfs/dbraw/zinc/18/15/70/857181570.db2.gz FMYRLRANAQQBAX-NLWGTHIKSA-N -1 3 395.528 3.667 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1cnn[n-]1 ZINC000508317419 857183257 /nfs/dbraw/zinc/18/32/57/857183257.db2.gz PMHNQBBCYZLIQV-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1c[n-]nn1 ZINC000508317419 857183262 /nfs/dbraw/zinc/18/32/62/857183262.db2.gz PMHNQBBCYZLIQV-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1cn[n-]n1 ZINC000508317419 857183268 /nfs/dbraw/zinc/18/32/68/857183268.db2.gz PMHNQBBCYZLIQV-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2F)cc1Cl ZINC000574073369 857210872 /nfs/dbraw/zinc/21/08/72/857210872.db2.gz NUMCFKBYZGPPGE-UHFFFAOYSA-N -1 3 394.251 3.959 20 0 GHADHM Cc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)o1 ZINC000906726228 857266196 /nfs/dbraw/zinc/26/61/96/857266196.db2.gz ZKZZXTXHMQZGIR-LBPRGKRZSA-N -1 3 393.465 3.605 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000672428720 857329461 /nfs/dbraw/zinc/32/94/61/857329461.db2.gz XMVZAFDCXMWYMZ-NSHDSACASA-N -1 3 394.707 3.701 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(c3cccc4ccccc43)CC2)c(=O)[n-]1 ZINC000058725703 857351708 /nfs/dbraw/zinc/35/17/08/857351708.db2.gz PKTIVLMBCFCXNO-UHFFFAOYSA-N -1 3 389.499 3.879 20 0 GHADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000605291598 862904789 /nfs/dbraw/zinc/90/47/89/862904789.db2.gz IDFWTFKKLXHGFP-SFHVURJKSA-N -1 3 381.881 3.840 20 0 GHADHM O=C([N-]Cc1ccn(C2CCCC2)n1)C(F)(F)c1ncccc1Br ZINC000907068913 857458922 /nfs/dbraw/zinc/45/89/22/857458922.db2.gz HILHOWQZOJWBOJ-UHFFFAOYSA-N -1 3 399.239 3.564 20 0 GHADHM Cn1nccc1[C@H]1C[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000574278459 857492743 /nfs/dbraw/zinc/49/27/43/857492743.db2.gz JTBPJMQHZWLRPO-YCRPNKLZSA-N -1 3 393.443 3.568 20 0 GHADHM O=C([N-][C@@H](c1cccnc1)C1CC1)C(F)(F)c1ncccc1Br ZINC000907150428 857502983 /nfs/dbraw/zinc/50/29/83/857502983.db2.gz PJJZDNMDLBHZHX-CYBMUJFWSA-N -1 3 382.208 3.598 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(-c3ccccc3)no2)c1 ZINC000521021023 857511089 /nfs/dbraw/zinc/51/10/89/857511089.db2.gz QAYUGBYSNAENOC-UHFFFAOYSA-N -1 3 384.392 3.672 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cccs3)no2)ccc1F ZINC000521024884 857514988 /nfs/dbraw/zinc/51/49/88/857514988.db2.gz YZXXXDHRBRFHHX-UHFFFAOYSA-N -1 3 381.454 3.681 20 0 GHADHM COc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000486207702 857542796 /nfs/dbraw/zinc/54/27/96/857542796.db2.gz OQHVAJAOQUJJDV-OCCSQVGLSA-N -1 3 381.350 3.714 20 0 GHADHM CSCC1(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000593523554 857597487 /nfs/dbraw/zinc/59/74/87/857597487.db2.gz OTPNKVFOOIJUDH-UHFFFAOYSA-N -1 3 396.940 3.756 20 0 GHADHM O=C(O[C@@H]1C=CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000733417756 862930742 /nfs/dbraw/zinc/93/07/42/862930742.db2.gz AVBUUTVEYFEDRM-LLVKDONJSA-N -1 3 390.288 3.700 20 0 GHADHM COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)CCCC2 ZINC000922043259 857630207 /nfs/dbraw/zinc/63/02/07/857630207.db2.gz ZRNRNZKCEFBERX-GOSISDBHSA-N -1 3 392.455 3.743 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Br)c1cccc(Cl)c1F ZINC000521157739 857679777 /nfs/dbraw/zinc/67/97/77/857679777.db2.gz AKCRZAGBCYYVNQ-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM Cc1ncc(CNC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(=O)[n-]1 ZINC000669508258 857769251 /nfs/dbraw/zinc/76/92/51/857769251.db2.gz QNFZWCGEIBVESQ-CQSZACIVSA-N -1 3 395.488 3.541 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065751704 857772256 /nfs/dbraw/zinc/77/22/56/857772256.db2.gz AZYYABSZVFDZNA-UHFFFAOYSA-N -1 3 391.493 3.511 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482328396 862950119 /nfs/dbraw/zinc/95/01/19/862950119.db2.gz HSNKBCHQNJSSTD-PIGZYNQJSA-N -1 3 375.266 3.887 20 0 GHADHM CC(C)[C@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000046445703 857795746 /nfs/dbraw/zinc/79/57/46/857795746.db2.gz LVWROYJWAPGBMT-ZDUSSCGKSA-N -1 3 384.517 3.552 20 0 GHADHM COCOc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC000907859609 857811460 /nfs/dbraw/zinc/81/14/60/857811460.db2.gz KJFWBSXDNHTMPD-UHFFFAOYSA-N -1 3 379.438 3.725 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c([O-])c1 ZINC000065709167 857836977 /nfs/dbraw/zinc/83/69/77/857836977.db2.gz LNMOALNLIFWHTR-UHFFFAOYSA-N -1 3 376.456 3.656 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CC(C)C)CC(C)C)cc1OC ZINC000065804696 857855565 /nfs/dbraw/zinc/85/55/65/857855565.db2.gz OWLJFTCNDAIWKH-UHFFFAOYSA-N -1 3 385.530 3.603 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1OC ZINC000065817925 857858339 /nfs/dbraw/zinc/85/83/39/857858339.db2.gz QYRLSFXEURVSEF-QGZVFWFLSA-N -1 3 395.525 3.643 20 0 GHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000486647302 857942607 /nfs/dbraw/zinc/94/26/07/857942607.db2.gz VJCQHRQSEVBVLR-RKDXNWHRSA-N -1 3 377.297 3.665 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000067124338 858001106 /nfs/dbraw/zinc/00/11/06/858001106.db2.gz HRBCQHXWDMUTFN-UHFFFAOYSA-N -1 3 391.493 3.724 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486712096 858002227 /nfs/dbraw/zinc/00/22/27/858002227.db2.gz SIKBCXPTMVWQMN-CVEARBPZSA-N -1 3 391.464 3.617 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2CCC(C)C)cc1OC ZINC000486733099 858036358 /nfs/dbraw/zinc/03/63/58/858036358.db2.gz CHMSUFWOAXZOEC-MRXNPFEDSA-N -1 3 397.541 3.889 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnccc1C(F)(F)F ZINC000442739619 858092626 /nfs/dbraw/zinc/09/26/26/858092626.db2.gz SDYFARDABMYWLY-UWVGGRQHSA-N -1 3 390.349 3.747 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(F)cc1F ZINC000442742495 858104057 /nfs/dbraw/zinc/10/40/57/858104057.db2.gz CTWGUFMTSDGLTA-CYBMUJFWSA-N -1 3 380.338 3.808 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)o1 ZINC000574621520 858119877 /nfs/dbraw/zinc/11/98/77/858119877.db2.gz KRZFSZHEICOIBP-UHFFFAOYSA-N -1 3 378.675 3.525 20 0 GHADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000521689056 858247808 /nfs/dbraw/zinc/24/78/08/858247808.db2.gz HARBXHZGUKCIAW-GXSJLCMTSA-N -1 3 387.324 3.507 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCc1ccoc1 ZINC000761073085 858252344 /nfs/dbraw/zinc/25/23/44/858252344.db2.gz DIKKSVLHYDIXFJ-UHFFFAOYSA-N -1 3 389.404 3.885 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000443009852 858309106 /nfs/dbraw/zinc/30/91/06/858309106.db2.gz LLPMDJBAMAVWGN-WBVHZDCISA-N -1 3 391.464 3.617 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCC2 ZINC001212507113 858361807 /nfs/dbraw/zinc/36/18/07/858361807.db2.gz NXQWPYWNHBWKIL-CABCVRRESA-N -1 3 375.893 3.884 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000443097245 858374974 /nfs/dbraw/zinc/37/49/74/858374974.db2.gz KPNUWRJNPCHBRO-HNNXBMFYSA-N -1 3 387.482 3.654 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2cccc([O-])c2F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000574857423 858394506 /nfs/dbraw/zinc/39/45/06/858394506.db2.gz MACDPXFUWDWQHL-DYZYQPBXSA-N -1 3 397.233 3.996 20 0 GHADHM COC(=O)CC1(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCCCC1 ZINC000543118734 858478927 /nfs/dbraw/zinc/47/89/27/858478927.db2.gz UDCZZYDSXFZPNT-UHFFFAOYSA-N -1 3 398.463 3.545 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2coc(-c3ccc(Cl)cc3)n2)nc(C2CC2)[n-]1 ZINC000575107964 858590868 /nfs/dbraw/zinc/59/08/68/858590868.db2.gz OGDBRRUPDZGTSV-AREMUKBSSA-N -1 3 389.864 3.817 20 0 GHADHM O=S(=O)([N-][C@@H]1COCc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000575107867 858590877 /nfs/dbraw/zinc/59/08/77/858590877.db2.gz BURZMHMHHDPUKT-CQSZACIVSA-N -1 3 391.798 3.909 20 0 GHADHM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000046899145 858616762 /nfs/dbraw/zinc/61/67/62/858616762.db2.gz HHNRGDYIEUDCBT-UHFFFAOYSA-N -1 3 398.894 3.503 20 0 GHADHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccccc3Br)c2O1 ZINC000443397281 858639225 /nfs/dbraw/zinc/63/92/25/858639225.db2.gz DKFUWCCKARCDQB-UHFFFAOYSA-N -1 3 382.279 3.963 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000595708604 858653837 /nfs/dbraw/zinc/65/38/37/858653837.db2.gz UXFPISVZYFNIQE-ZDUSSCGKSA-N -1 3 391.254 3.628 20 0 GHADHM O=C(NCCCc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522148335 858671026 /nfs/dbraw/zinc/67/10/26/858671026.db2.gz FXHSFCMEFRHPIU-UHFFFAOYSA-N -1 3 385.261 3.653 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522153065 858673360 /nfs/dbraw/zinc/67/33/60/858673360.db2.gz PAMKPZQMKUDENW-ZDUSSCGKSA-N -1 3 377.282 3.941 20 0 GHADHM O=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000194449057 858733688 /nfs/dbraw/zinc/73/36/88/858733688.db2.gz BUQMPFOLYKJFLX-IBGZPJMESA-N -1 3 387.439 3.698 20 0 GHADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[N-]c1nc2ccccn2n1 ZINC000181941738 863061570 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CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2C1 ZINC000184960111 859025116 /nfs/dbraw/zinc/02/51/16/859025116.db2.gz MXVVQHCIOKQSAN-AWEZNQCLSA-N -1 3 388.489 3.576 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cccc(Br)c1F ZINC000543248730 859034055 /nfs/dbraw/zinc/03/40/55/859034055.db2.gz INEZPAXJKRUYAW-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CCc1cc(=O)[n-]c(CSCc2nnc(-c3ccc(Cl)cc3)n2C)n1 ZINC000185079032 859040416 /nfs/dbraw/zinc/04/04/16/859040416.db2.gz HYPJXBJBSXTKDU-UHFFFAOYSA-N -1 3 375.885 3.627 20 0 GHADHM Cc1nc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c(-c2ccccc2)o1 ZINC000185436441 859083154 /nfs/dbraw/zinc/08/31/54/859083154.db2.gz PRROIKQFNZMVIC-UHFFFAOYSA-N -1 3 377.379 3.750 20 0 GHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Br)c2C)c1 ZINC000187105653 859086065 /nfs/dbraw/zinc/08/60/65/859086065.db2.gz IJWCQTCMSFGYAN-GFCCVEGCSA-N -1 3 393.262 3.789 20 0 GHADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1nc(-c2ccccc2)cs1 ZINC000483029857 859088918 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COC(=O)c1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c(C)o1 ZINC000597164160 859325334 /nfs/dbraw/zinc/32/53/34/859325334.db2.gz FUYLYHBPIUOJDG-UHFFFAOYSA-N -1 3 385.445 3.804 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923467112 859335276 /nfs/dbraw/zinc/33/52/76/859335276.db2.gz MPQYOLLHCITHTM-XUZZJYLKSA-N -1 3 394.515 3.663 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923471675 859341140 /nfs/dbraw/zinc/34/11/40/859341140.db2.gz YEBMBWBUFDXVAW-YJBOKZPZSA-N -1 3 385.291 3.676 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000923468820 859345883 /nfs/dbraw/zinc/34/58/83/859345883.db2.gz FIWKLRBTMFEKQL-OFNKIYASSA-N -1 3 396.487 3.952 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923472650 859355180 /nfs/dbraw/zinc/35/51/80/859355180.db2.gz WQKVKQQXEUCHPL-IFMALSPDSA-N -1 3 390.499 3.750 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483540933 859437423 /nfs/dbraw/zinc/43/74/23/859437423.db2.gz IJLRVZJCUPLWOS-CQSZACIVSA-N -1 3 397.401 3.659 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC000113987851 859437797 /nfs/dbraw/zinc/43/77/97/859437797.db2.gz URYLFYGSPRHZFN-OAQYLSRUSA-N -1 3 382.460 3.565 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1Br ZINC000499743028 859463639 /nfs/dbraw/zinc/46/36/39/859463639.db2.gz OMKDDZCXVMLZFM-SECBINFHSA-N -1 3 386.233 3.692 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000483569042 859466525 /nfs/dbraw/zinc/46/65/25/859466525.db2.gz SJRMYFFAVMBUGQ-PWSUYJOCSA-N -1 3 385.390 3.662 20 0 GHADHM [O-]c1ccc(CNC(=S)N[C@@H]2CCc3ccccc3C2)cc1Br ZINC000764522603 859483238 /nfs/dbraw/zinc/48/32/38/859483238.db2.gz BGGGENDMNAWAGM-OAHLLOKOSA-N -1 3 391.334 3.676 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000134645858 859492538 /nfs/dbraw/zinc/49/25/38/859492538.db2.gz PNSGNULDLATFHN-GFCCVEGCSA-N -1 3 381.391 3.615 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccco1 ZINC000474177368 859525731 /nfs/dbraw/zinc/52/57/31/859525731.db2.gz OJZPFLLHFCICTK-AWEZNQCLSA-N -1 3 394.518 3.853 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)[nH][n-]1 ZINC000474199150 859596012 /nfs/dbraw/zinc/59/60/12/859596012.db2.gz ZXAWBENMOSQNCV-UHFFFAOYSA-N -1 3 385.349 3.726 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4c3cccc4C)nc(=O)c2c1C ZINC000611207596 859644633 /nfs/dbraw/zinc/64/46/33/859644633.db2.gz SJTHLHFOCBSGME-CYBMUJFWSA-N -1 3 397.500 3.902 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccc2c(c1)COC2 ZINC000466471297 859659249 /nfs/dbraw/zinc/65/92/49/859659249.db2.gz DIMCCOKVQKNCJO-UHFFFAOYSA-N -1 3 390.205 3.558 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000508435043 859724462 /nfs/dbraw/zinc/72/44/62/859724462.db2.gz HNJQCYUUOZIHAT-OAHLLOKOSA-N -1 3 390.480 3.935 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc(C)cc2Cl)cc1OC ZINC000474274631 859742954 /nfs/dbraw/zinc/74/29/54/859742954.db2.gz NDGSQPFRFWWQAK-UHFFFAOYSA-N -1 3 396.896 3.600 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000052799834 859776865 /nfs/dbraw/zinc/77/68/65/859776865.db2.gz ALZGWYJXSSOZEQ-VQTJNVASSA-N -1 3 380.488 3.553 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC000484193315 859874539 /nfs/dbraw/zinc/87/45/39/859874539.db2.gz SSNXMPWSUSNGIK-SNVBAGLBSA-N -1 3 391.443 3.967 20 0 GHADHM Cc1ccnc(CN[C@@H](CCc2ccccc2)CC(=O)[O-])c1Br ZINC000904040320 860059324 /nfs/dbraw/zinc/05/93/24/860059324.db2.gz MNPWBDJUZSHGIW-HNNXBMFYSA-N -1 3 377.282 3.718 20 0 GHADHM O=C([O-])C[C@@H](CCc1ccccc1)NCc1ncc(Br)cc1F ZINC000904040829 860059922 /nfs/dbraw/zinc/05/99/22/860059922.db2.gz VVNWWAUAZCDBPH-CQSZACIVSA-N -1 3 381.245 3.549 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000904045236 860064621 /nfs/dbraw/zinc/06/46/21/860064621.db2.gz CZFFEZJQOGMKDZ-INIZCTEOSA-N -1 3 387.432 3.517 20 0 GHADHM C[C@](CO)(CNCc1nc(-c2cc(Cl)ccc2Cl)cs1)CC(=O)[O-] ZINC000904062534 860084374 /nfs/dbraw/zinc/08/43/74/860084374.db2.gz IAAJSJNYFGVYNI-MRXNPFEDSA-N -1 3 389.304 3.680 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)cc2)CC1 ZINC000765536564 860101287 /nfs/dbraw/zinc/10/12/87/860101287.db2.gz WQUMQZQBCFFYGV-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-c3ccccc3Br)n2C)n[n-]1 ZINC000727486279 860113709 /nfs/dbraw/zinc/11/37/09/860113709.db2.gz HGGUQDCGDUDUAX-UHFFFAOYSA-N -1 3 392.282 3.547 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000727539595 860129487 /nfs/dbraw/zinc/12/94/87/860129487.db2.gz SUIVVXIOZKQEQJ-UHFFFAOYSA-N -1 3 395.455 3.596 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(C)c3C(F)F)nc(=O)c2c1C ZINC000727569352 860148288 /nfs/dbraw/zinc/14/82/88/860148288.db2.gz ZKHAQECNXUNYIK-ZETCQYMHSA-N -1 3 382.392 3.603 20 0 GHADHM CN(CCCOc1ccc(F)cc1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904191679 860218044 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399.624 3.879 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c(C)c1 ZINC000444043292 863215045 /nfs/dbraw/zinc/21/50/45/863215045.db2.gz MXIVHMZZGYDGAC-UHFFFAOYSA-N -1 3 376.547 3.653 20 0 GHADHM CC(C)N(Cc1ccco1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444046208 863220333 /nfs/dbraw/zinc/22/03/33/863220333.db2.gz QHIHFWOBWYXMLJ-UHFFFAOYSA-N -1 3 389.249 3.934 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000605661937 863225753 /nfs/dbraw/zinc/22/57/53/863225753.db2.gz MCLCITUSRPZYLO-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000605661937 863225769 /nfs/dbraw/zinc/22/57/69/863225769.db2.gz MCLCITUSRPZYLO-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000733894886 863322209 /nfs/dbraw/zinc/32/22/09/863322209.db2.gz JCXRZSHKUWRBFF-JOCHJYFZSA-N -1 3 388.467 3.624 20 0 GHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000182716060 863337680 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GHADHM COC(=O)c1sc2[n-]c(CSC3CCC(F)(F)CC3)nc(=O)c2c1C ZINC000901734674 863500845 /nfs/dbraw/zinc/50/08/45/863500845.db2.gz VHWRBZZQVXWNMC-UHFFFAOYSA-N -1 3 388.461 3.891 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)CN(Cc2cccnc2)c2ccccc2)[nH][n-]1 ZINC000522833782 863511330 /nfs/dbraw/zinc/51/13/30/863511330.db2.gz LHYOJJYMNGPOPI-UHFFFAOYSA-N -1 3 397.482 3.847 20 0 GHADHM CCCCOCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000522833794 863511720 /nfs/dbraw/zinc/51/17/20/863511720.db2.gz LMCAXNJFRWFGBZ-UHFFFAOYSA-N -1 3 386.677 3.670 20 0 GHADHM CCCOc1c(Cl)cc(CNC2(c3nn[n-]n3)CCCC2)cc1OCC ZINC000499240340 881677861 /nfs/dbraw/zinc/67/78/61/881677861.db2.gz VVNALOKUKRHSAI-UHFFFAOYSA-N -1 3 379.892 3.600 20 0 GHADHM CCNC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000606530327 863688772 /nfs/dbraw/zinc/68/87/72/863688772.db2.gz QIEWJMQSZGTISY-UHFFFAOYSA-N -1 3 390.439 3.973 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000606536949 863695495 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3.548 20 0 GHADHM O=c1[n-]c(SC[C@H]2OCCc3ccccc32)nc2c1cnn2-c1ccccc1 ZINC000734307808 864138541 /nfs/dbraw/zinc/13/85/41/864138541.db2.gz SNQVVZKHHRBXEX-GOSISDBHSA-N -1 3 390.468 3.927 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1nnc2ccccc2c1[O-] ZINC000734551463 864299468 /nfs/dbraw/zinc/29/94/68/864299468.db2.gz YWKQPZROUBQVRG-UHFFFAOYSA-N -1 3 398.260 3.560 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000104609772 864347665 /nfs/dbraw/zinc/34/76/65/864347665.db2.gz GWNLKHQDFIIEMA-CXAGYDPISA-N -1 3 376.453 3.545 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000554534472 864492125 /nfs/dbraw/zinc/49/21/25/864492125.db2.gz PCYROYQPRJBJLO-UHFFFAOYSA-N -1 3 377.423 3.788 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000554535880 864496213 /nfs/dbraw/zinc/49/62/13/864496213.db2.gz RTMLFKHOESEJGU-INIZCTEOSA-N -1 3 380.839 3.655 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc(CC4CC4)nc3C)c2)n1 ZINC000190333268 864506626 /nfs/dbraw/zinc/50/66/26/864506626.db2.gz BRRSTOOAMUFRFM-UHFFFAOYSA-N -1 3 394.500 3.969 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)cc1F ZINC000607616742 864562068 /nfs/dbraw/zinc/56/20/68/864562068.db2.gz WZWWPBNEWIVHQL-UHFFFAOYSA-N -1 3 389.408 3.526 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)C)cc2)cc1 ZINC000735029237 864585115 /nfs/dbraw/zinc/58/51/15/864585115.db2.gz UPAYVWCMJYICCQ-UHFFFAOYSA-N -1 3 392.477 3.521 20 0 GHADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)cc2)n[nH]1 ZINC000164035759 864587596 /nfs/dbraw/zinc/58/75/96/864587596.db2.gz MPAKNZFZEJWCQD-CYBMUJFWSA-N -1 3 385.445 3.635 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000621941690 864608727 /nfs/dbraw/zinc/60/87/27/864608727.db2.gz XWAOPYIIBCCQCA-PIGZYNQJSA-N -1 3 383.366 3.926 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)s1 ZINC000030675587 864623595 /nfs/dbraw/zinc/62/35/95/864623595.db2.gz SWLVGZFXEQOIHL-UHFFFAOYSA-N -1 3 382.371 3.513 20 0 GHADHM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621965153 864636200 /nfs/dbraw/zinc/63/62/00/864636200.db2.gz FUCPEQDTNZDMLR-QMTHXVAHSA-N -1 3 385.304 3.624 20 0 GHADHM Cc1cnccc1OC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621976663 864646592 /nfs/dbraw/zinc/64/65/92/864646592.db2.gz FBTLKHXBLIHZTB-UHFFFAOYSA-N -1 3 380.366 3.798 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1cccc2cccnc21 ZINC000165534815 864681542 /nfs/dbraw/zinc/68/15/42/864681542.db2.gz CXZRWAUUYSWKNO-UHFFFAOYSA-N -1 3 386.249 3.702 20 0 GHADHM Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622109945 864768266 /nfs/dbraw/zinc/76/82/66/864768266.db2.gz IHRYTPKGXSNTNO-OAHLLOKOSA-N -1 3 380.366 3.798 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735617886 864884460 /nfs/dbraw/zinc/88/44/60/864884460.db2.gz FAICAFLZRUPIIC-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735617886 864884467 /nfs/dbraw/zinc/88/44/67/864884467.db2.gz FAICAFLZRUPIIC-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000735677678 864908014 /nfs/dbraw/zinc/90/80/14/864908014.db2.gz NGCJERIHIWLBMQ-GWCFXTLKSA-N -1 3 381.325 3.508 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(N)ccc3Cl)nc(=O)c2c1C ZINC000063542710 864919149 /nfs/dbraw/zinc/91/91/49/864919149.db2.gz VZEUPOAWVQJBCU-MRVPVSSYSA-N -1 3 377.853 3.755 20 0 GHADHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)s1 ZINC000190720736 864979342 /nfs/dbraw/zinc/97/93/42/864979342.db2.gz PAUVVXJPVGNIIH-UHFFFAOYSA-N -1 3 386.926 3.762 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c1[O-] ZINC000184854201 864993651 /nfs/dbraw/zinc/99/36/51/864993651.db2.gz RQWLLBDPDWTWGG-UHFFFAOYSA-N -1 3 385.383 3.852 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)ccc21 ZINC000480660055 865055500 /nfs/dbraw/zinc/05/55/00/865055500.db2.gz OBPWYNVZWYOWQH-UHFFFAOYSA-N -1 3 380.374 3.756 20 0 GHADHM O=C(NCCc1ccccc1OC(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622549494 865072729 /nfs/dbraw/zinc/07/27/29/865072729.db2.gz CBSUXVMHHDLYRV-UHFFFAOYSA-N -1 3 375.293 3.985 20 0 GHADHM COc1cc(C(=O)NCc2ccc(COc3ccccc3)cc2)cc(OC)c1[O-] ZINC000480678932 865078757 /nfs/dbraw/zinc/07/87/57/865078757.db2.gz SPMSWJQQECFTRX-UHFFFAOYSA-N -1 3 393.439 3.918 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1C ZINC000736063261 865119504 /nfs/dbraw/zinc/11/95/04/865119504.db2.gz GGTXTFZQDIHVDL-LLVKDONJSA-N -1 3 394.880 3.731 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3cc(Cl)cnc3OC(C)C)no2)c1 ZINC000622649479 865123161 /nfs/dbraw/zinc/12/31/61/865123161.db2.gz URHLDECCPDAIQL-UHFFFAOYSA-N -1 3 388.811 3.833 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCOc2ccccc2-c2ccccc2)n1 ZINC000622738892 865194921 /nfs/dbraw/zinc/19/49/21/865194921.db2.gz LCNXAHMHHAWSOV-UHFFFAOYSA-N -1 3 391.471 3.978 20 0 GHADHM CCN(C(=O)c1ccc(OC)cc1Cl)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509640 865226435 /nfs/dbraw/zinc/22/64/35/865226435.db2.gz YPSMAQDOHHGVFB-GFCCVEGCSA-N -1 3 385.855 3.752 20 0 GHADHM CCN(C(=O)c1ccc(OC)cc1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509640 865226449 /nfs/dbraw/zinc/22/64/49/865226449.db2.gz YPSMAQDOHHGVFB-GFCCVEGCSA-N -1 3 385.855 3.752 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)COc2cc(Cl)cc(Cl)c2)[nH][n-]1 ZINC000608358259 865254304 /nfs/dbraw/zinc/25/43/04/865254304.db2.gz ZMLKVKJYCUTAIO-UHFFFAOYSA-N -1 3 392.242 3.832 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(-n4cccn4)ccn3)nc(=O)c2c1C ZINC000736848527 865301693 /nfs/dbraw/zinc/30/16/93/865301693.db2.gz RWVNQYQMZOBECY-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(-c2ccccc2)no1 ZINC000121010263 881863616 /nfs/dbraw/zinc/86/36/16/881863616.db2.gz ONHVLUQVWFXNHH-SNVBAGLBSA-N -1 3 383.882 3.534 20 0 GHADHM Cc1nc(-c2ccc(NCc3ccc(Cn4ccnc4)cc3)nc2)[n-]c(=O)c1C ZINC000301559414 865424941 /nfs/dbraw/zinc/42/49/41/865424941.db2.gz UENBVFKWWRIVKL-UHFFFAOYSA-N -1 3 386.459 3.718 20 0 GHADHM COC(=O)c1cnc(SCc2ncc(-c3ccccc3Br)o2)[n-]1 ZINC000193543092 881876174 /nfs/dbraw/zinc/87/61/74/881876174.db2.gz LCCSPZSPIVPYGS-UHFFFAOYSA-N -1 3 394.250 3.906 20 0 GHADHM Cc1nc2ccc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)cc2nc1C ZINC000622892593 865705213 /nfs/dbraw/zinc/70/52/13/865705213.db2.gz YMSZEBXZFWJYAZ-UHFFFAOYSA-N -1 3 377.835 3.964 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccc(F)cc4F)C3)nc2)n1 ZINC000302354612 865797692 /nfs/dbraw/zinc/79/76/92/865797692.db2.gz CCJZXJMYVXRXMR-GOSISDBHSA-N -1 3 398.413 3.663 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000121078854 881908961 /nfs/dbraw/zinc/90/89/61/881908961.db2.gz BGPUOKJZSWEPGR-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000121078854 881908966 /nfs/dbraw/zinc/90/89/66/881908966.db2.gz BGPUOKJZSWEPGR-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1cc(CN(C)C(=O)c2ccc(O)cc2[O-])cc(C)c1OCC(F)(F)F ZINC000193719565 881916223 /nfs/dbraw/zinc/91/62/23/881916223.db2.gz CDTHWZJVGXCETK-UHFFFAOYSA-N -1 3 383.366 3.928 20 0 GHADHM COCCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 ZINC000623019454 865922004 /nfs/dbraw/zinc/92/20/04/865922004.db2.gz USPVZBISRALUMG-UHFFFAOYSA-N -1 3 399.365 3.721 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000667836250 865996443 /nfs/dbraw/zinc/99/64/43/865996443.db2.gz LCOQHUFVXAHSIT-UHFFFAOYSA-N -1 3 394.500 3.919 20 0 GHADHM O=S(=O)([N-]Nc1c(F)cccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000185346794 866005966 /nfs/dbraw/zinc/00/59/66/866005966.db2.gz XRWIKESXVUNKNA-UHFFFAOYSA-N -1 3 386.729 3.942 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000740797614 866012056 /nfs/dbraw/zinc/01/20/56/866012056.db2.gz VIGUTOYEQMCINO-UKRRQHHQSA-N -1 3 384.517 3.601 20 0 GHADHM O=C1Nc2cc(Br)ccc2C1=N[N-]c1ncc(Cl)cc1Cl ZINC000054280464 866059366 /nfs/dbraw/zinc/05/93/66/866059366.db2.gz SBCWLLVPDIJSOH-UHFFFAOYSA-N -1 3 386.036 3.919 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1n1cccn1 ZINC000456630761 866081184 /nfs/dbraw/zinc/08/11/84/866081184.db2.gz DZADWLIVNVWYPB-MISYRCLQSA-N -1 3 379.460 3.669 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000534116888 866146451 /nfs/dbraw/zinc/14/64/51/866146451.db2.gz VDMDBBCXHUAJES-UHFFFAOYSA-N -1 3 380.839 3.894 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000534116888 866146465 /nfs/dbraw/zinc/14/64/65/866146465.db2.gz VDMDBBCXHUAJES-UHFFFAOYSA-N -1 3 380.839 3.894 20 0 GHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000521897196 881947748 /nfs/dbraw/zinc/94/77/48/881947748.db2.gz SORUOPJCWJJDIO-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000179630720 866226972 /nfs/dbraw/zinc/22/69/72/866226972.db2.gz AGVVHBWMGIFGMI-CQSZACIVSA-N -1 3 389.883 3.673 20 0 GHADHM NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2cccc([O-])c2F)cc1 ZINC000534209720 866279997 /nfs/dbraw/zinc/27/99/97/866279997.db2.gz DJMBRFRTPPIJRK-UHFFFAOYSA-N -1 3 397.431 3.570 20 0 GHADHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000614771988 866289161 /nfs/dbraw/zinc/28/91/61/866289161.db2.gz DCXKCUBGIPPRRV-UHFFFAOYSA-N -1 3 376.821 3.726 20 0 GHADHM CC(C)[C@@H]1C[C@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000456292304 866352511 /nfs/dbraw/zinc/35/25/11/866352511.db2.gz FFPJCTAXTKYDKD-JBACZVJFSA-N -1 3 380.488 3.662 20 0 GHADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Br)c(Cl)c2)c([O-])c1 ZINC000183319363 866603571 /nfs/dbraw/zinc/60/35/71/866603571.db2.gz KPYUBEGMDHWYNV-UHFFFAOYSA-N -1 3 398.644 3.583 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2Br)c(Cl)n1 ZINC000772827653 882004032 /nfs/dbraw/zinc/00/40/32/882004032.db2.gz LKSOTQNHBCHWCY-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H](C1CCCC1)C(F)(F)F ZINC000640295717 882013962 /nfs/dbraw/zinc/01/39/62/882013962.db2.gz BQKDEBTZCASXCY-VIFPVBQESA-N -1 3 392.731 3.763 20 0 GHADHM Cn1ccnc1[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])C(F)(F)F ZINC000553163175 866928044 /nfs/dbraw/zinc/92/80/44/866928044.db2.gz IGDOIZRCJYNJAZ-SECBINFHSA-N -1 3 392.175 3.563 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000121288970 882030153 /nfs/dbraw/zinc/03/01/53/882030153.db2.gz RYFIBPRHMOVDNQ-SFHVURJKSA-N -1 3 375.900 3.876 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-c4csnn4)cc3)c[n-]c12 ZINC000553207015 866993063 /nfs/dbraw/zinc/99/30/63/866993063.db2.gz OBGCZFRPNZZYHL-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM COc1cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc(Cl)c1[O-] ZINC000153719409 867042375 /nfs/dbraw/zinc/04/23/75/867042375.db2.gz KDWKWTJFFFNRCL-OAHLLOKOSA-N -1 3 378.856 3.523 20 0 GHADHM O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1cccc2n[n-]nc21 ZINC000553278508 867091217 /nfs/dbraw/zinc/09/12/17/867091217.db2.gz VJGVCLNDQMKQOV-HNNXBMFYSA-N -1 3 376.338 3.738 20 0 GHADHM CC[C@H](C)CC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000479111181 867150938 /nfs/dbraw/zinc/15/09/38/867150938.db2.gz XPGZUKRNDOKSKF-HNNXBMFYSA-N -1 3 390.505 3.548 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](CC)CC3CCCCC3)CC2)n[n-]1 ZINC000444751647 867176518 /nfs/dbraw/zinc/17/65/18/867176518.db2.gz CEGJXCCWOHSGJJ-MRXNPFEDSA-N -1 3 390.528 3.684 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](CC)CC3CCCCC3)CC2)[n-]1 ZINC000444751647 867176529 /nfs/dbraw/zinc/17/65/29/867176529.db2.gz CEGJXCCWOHSGJJ-MRXNPFEDSA-N -1 3 390.528 3.684 20 0 GHADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000742307501 867191226 /nfs/dbraw/zinc/19/12/26/867191226.db2.gz VJKDRHDJRXBRQM-UHFFFAOYSA-N -1 3 382.295 3.844 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)n[n-]1 ZINC000444764125 867194704 /nfs/dbraw/zinc/19/47/04/867194704.db2.gz XNOSRIMNVCTBRZ-CRAIPNDOSA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)[n-]1 ZINC000444764125 867194713 /nfs/dbraw/zinc/19/47/13/867194713.db2.gz XNOSRIMNVCTBRZ-CRAIPNDOSA-N -1 3 398.507 3.517 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1ccc(Br)s1 ZINC000523571792 867546515 /nfs/dbraw/zinc/54/65/15/867546515.db2.gz BDTWKEQHZCWEBD-UHFFFAOYSA-N -1 3 386.292 3.778 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(C(C)C)cc32)s1 ZINC000553531472 867589793 /nfs/dbraw/zinc/58/97/93/867589793.db2.gz UPCBUFJLLJYUKH-MRXNPFEDSA-N -1 3 393.534 3.581 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cscc1Br ZINC000920429336 882121581 /nfs/dbraw/zinc/12/15/81/882121581.db2.gz VIRGTISXAZKDAR-UHFFFAOYSA-N -1 3 384.299 3.710 20 0 GHADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)c2ccccn2)cc1 ZINC000523737361 867873692 /nfs/dbraw/zinc/87/36/92/867873692.db2.gz VMEULKRCPOZZRQ-SFHVURJKSA-N -1 3 388.439 3.931 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640297059 882133451 /nfs/dbraw/zinc/13/34/51/882133451.db2.gz TYQPIFISJBLITR-DGCLKSJQSA-N -1 3 396.841 3.626 20 0 GHADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000457262949 867938370 /nfs/dbraw/zinc/93/83/70/867938370.db2.gz DJHSDVUUTORRKF-MJGOQNOKSA-N -1 3 393.484 3.509 20 0 GHADHM Cn1c2ccc(C[N-]S(=O)(=O)c3c(F)cccc3Cl)cc2nc1C1CC1 ZINC000550821726 882136107 /nfs/dbraw/zinc/13/61/07/882136107.db2.gz RGMIRARENTYTPG-UHFFFAOYSA-N -1 3 393.871 3.722 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3cc(Br)c(F)cc3C)ccc2n1 ZINC000479597330 868151911 /nfs/dbraw/zinc/15/19/11/868151911.db2.gz ACBXUXPVSPMCJD-UHFFFAOYSA-N -1 3 398.257 3.654 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1ccc(Br)s1 ZINC000190345817 882161196 /nfs/dbraw/zinc/16/11/96/882161196.db2.gz XHVRUOKMSVRIOC-NSHDSACASA-N -1 3 388.308 3.572 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000445316343 868252008 /nfs/dbraw/zinc/25/20/08/868252008.db2.gz FUXKTVPDZMNLAU-UHFFFAOYSA-N -1 3 387.823 3.902 20 0 GHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000156212550 868289521 /nfs/dbraw/zinc/28/95/21/868289521.db2.gz PWOOECPYJRFJHU-UHFFFAOYSA-N -1 3 395.484 3.889 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1 ZINC000524017837 868398977 /nfs/dbraw/zinc/39/89/77/868398977.db2.gz RINZSRZVSCQGPJ-HNNXBMFYSA-N -1 3 379.478 3.610 20 0 GHADHM CC(C)c1nc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)nn1-c1ccccc1F ZINC000479837996 868587383 /nfs/dbraw/zinc/58/73/83/868587383.db2.gz NXLOZEPUGOKQTK-UHFFFAOYSA-N -1 3 391.406 3.859 20 0 GHADHM CC(C)Cn1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(C(F)F)n1 ZINC000648431309 882210184 /nfs/dbraw/zinc/21/01/84/882210184.db2.gz QFERBPSNIIQYOP-UHFFFAOYSA-N -1 3 399.751 3.563 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000648431338 882213370 /nfs/dbraw/zinc/21/33/70/882213370.db2.gz RELUGXFPEYQFEG-WDEREUQCSA-N -1 3 378.181 3.916 20 0 GHADHM Cc1ccn(-c2ccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)n1 ZINC000744217322 868674341 /nfs/dbraw/zinc/67/43/41/868674341.db2.gz RDCKSHZTIVVQEZ-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000744261886 868706948 /nfs/dbraw/zinc/70/69/48/868706948.db2.gz OBRCWVNPCYERHB-SNVBAGLBSA-N -1 3 384.723 3.968 20 0 GHADHM CC(C)C[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000133405283 882220615 /nfs/dbraw/zinc/22/06/15/882220615.db2.gz FTXBLOXQHPCHLL-ZDUSSCGKSA-N -1 3 381.904 3.840 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)ccc1C ZINC000157903270 868799017 /nfs/dbraw/zinc/79/90/17/868799017.db2.gz BSPWDXXHYCFEFU-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM CCc1ccc(Cl)c(CC)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000479969966 868819680 /nfs/dbraw/zinc/81/96/80/868819680.db2.gz XWLMVGHIMIXTPZ-UHFFFAOYSA-N -1 3 375.782 3.923 20 0 GHADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000445706558 868880203 /nfs/dbraw/zinc/88/02/03/868880203.db2.gz FSVVEFFQTGCTSS-SNVBAGLBSA-N -1 3 392.212 3.844 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000158264500 868912707 /nfs/dbraw/zinc/91/27/07/868912707.db2.gz UTITYZVDOSPCFY-OAHLLOKOSA-N -1 3 387.379 3.674 20 0 GHADHM O=S(=O)([N-]C1(c2noc(CC3CCCC3)n2)CCCCCC1)c1ccco1 ZINC000445760753 868963003 /nfs/dbraw/zinc/96/30/03/868963003.db2.gz VEZSSOMVEKFZFL-UHFFFAOYSA-N -1 3 393.509 3.923 20 0 GHADHM [O-]c1cccc(CNc2cccc(CN3CCOCC3)c2)c1Br ZINC000459348839 868982436 /nfs/dbraw/zinc/98/24/36/868982436.db2.gz NCDZZCFJQLUMET-UHFFFAOYSA-N -1 3 377.282 3.599 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)s1 ZINC000462254364 869099164 /nfs/dbraw/zinc/09/91/64/869099164.db2.gz JCZJXZWRIWLIFE-ZDUSSCGKSA-N -1 3 386.336 3.655 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COc2cccc(F)c2)c1 ZINC000445950505 869214924 /nfs/dbraw/zinc/21/49/24/869214924.db2.gz XZOMKDUNAAYKFH-OAHLLOKOSA-N -1 3 382.313 3.782 20 0 GHADHM CC[C@H](C)[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000539493899 869217766 /nfs/dbraw/zinc/21/77/66/869217766.db2.gz UCRGNLHXDNGNLW-LRDDRELGSA-N -1 3 385.464 3.928 20 0 GHADHM COc1ccccc1NCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000745015773 869236597 /nfs/dbraw/zinc/23/65/97/869236597.db2.gz AKQMFGNDCYSNDR-LLVKDONJSA-N -1 3 387.461 3.739 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000462351824 869279181 /nfs/dbraw/zinc/27/91/81/869279181.db2.gz GRNAJGNXQIHPRE-AMIZOPFISA-N -1 3 379.762 3.731 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2OC)on1 ZINC000462398651 869364741 /nfs/dbraw/zinc/36/47/41/869364741.db2.gz RXUQGYMPAOTGIN-UHFFFAOYSA-N -1 3 386.901 3.860 20 0 GHADHM CC(C)[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000524740520 869510431 /nfs/dbraw/zinc/51/04/31/869510431.db2.gz LIMCWLHOBNAHJV-GOSISDBHSA-N -1 3 394.393 3.654 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCc2ccco2)s1 ZINC000462481969 869522618 /nfs/dbraw/zinc/52/26/18/869522618.db2.gz UKVZOLSYFPRRMU-SECBINFHSA-N -1 3 378.313 3.712 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000462500826 869581637 /nfs/dbraw/zinc/58/16/37/869581637.db2.gz JSVOMVBUNMNUCP-OCCSQVGLSA-N -1 3 386.336 3.729 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1[O-] ZINC000745652017 869721080 /nfs/dbraw/zinc/72/10/80/869721080.db2.gz DZNDZMAXHBFXHW-UHFFFAOYSA-N -1 3 391.248 3.623 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccccc2OCC(F)(F)F)cc1[O-] ZINC000745653140 869721400 /nfs/dbraw/zinc/72/14/00/869721400.db2.gz OSEODWIEDPWAEU-UHFFFAOYSA-N -1 3 399.321 3.869 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(Cc4ccccc4F)CC3)cc2)n1 ZINC000191004248 882338239 /nfs/dbraw/zinc/33/82/39/882338239.db2.gz BHOPWYZLPGAWPU-UHFFFAOYSA-N -1 3 377.419 3.846 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000462650479 869841585 /nfs/dbraw/zinc/84/15/85/869841585.db2.gz SVONSYPTROHDRJ-MRXNPFEDSA-N -1 3 384.435 3.974 20 0 GHADHM CCOc1ccc(Cl)c(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c1 ZINC001212575433 869843932 /nfs/dbraw/zinc/84/39/32/869843932.db2.gz FIGBLDISQWGBMY-UHFFFAOYSA-N -1 3 381.860 3.920 20 0 GHADHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462721003 869970525 /nfs/dbraw/zinc/97/05/25/869970525.db2.gz QWTYJRKUJFCAPG-GFCCVEGCSA-N -1 3 391.386 3.899 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1ccc(F)cc1C(F)(F)F ZINC000173542908 882377409 /nfs/dbraw/zinc/37/74/09/882377409.db2.gz VKSFVXWILCEKFS-UONOGXRCSA-N -1 3 391.390 3.503 20 0 GHADHM CCCCc1nc(NC(=O)CCc2cccnc2Cl)c(C(=O)OCC)[n-]1 ZINC000857611359 882389250 /nfs/dbraw/zinc/38/92/50/882389250.db2.gz LFUFQUOAYKMWRG-UHFFFAOYSA-N -1 3 378.860 3.549 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3C[C@]3(C)c3ccccc3OC)nc2)n1 ZINC000462876285 870272423 /nfs/dbraw/zinc/27/24/23/870272423.db2.gz CVHPWZBJRYOVJM-PGRDOPGGSA-N -1 3 376.460 3.957 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001192321011 870285542 /nfs/dbraw/zinc/28/55/42/870285542.db2.gz YLIMDYUHNHWUKN-UHFFFAOYSA-N -1 3 396.737 3.940 20 0 GHADHM CCc1c(Br)cccc1C(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001192422437 870350815 /nfs/dbraw/zinc/35/08/15/870350815.db2.gz IIHZYEBCVCKVAG-UHFFFAOYSA-N -1 3 396.212 3.895 20 0 GHADHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001192424370 870352615 /nfs/dbraw/zinc/35/26/15/870352615.db2.gz QMRTVTGWOWURJI-UHFFFAOYSA-N -1 3 398.388 3.675 20 0 GHADHM Cn1c([N-]C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nnc1C1CC1 ZINC000857638577 882417966 /nfs/dbraw/zinc/41/79/66/882417966.db2.gz XMXYIEXHNLLUFX-UHFFFAOYSA-N -1 3 381.050 3.953 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)c(OC)cc2Cl)[n-]c1=O ZINC000193266257 870579945 /nfs/dbraw/zinc/57/99/45/870579945.db2.gz GULBPNMHIOZFSM-WEVVVXLNSA-N -1 3 383.231 3.823 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCC2)n1 ZINC000746400852 870611950 /nfs/dbraw/zinc/61/19/50/870611950.db2.gz WOCGAKMILZXRBT-UHFFFAOYSA-N -1 3 378.306 3.511 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000538771563 870618231 /nfs/dbraw/zinc/61/82/31/870618231.db2.gz BESTWTIHWXCQBG-LBPRGKRZSA-N -1 3 393.468 3.618 20 0 GHADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1ccc(Cl)nc1Cl ZINC000746410240 870624038 /nfs/dbraw/zinc/62/40/38/870624038.db2.gz FGVIJKNPAYTJGI-UHFFFAOYSA-N -1 3 388.301 3.519 20 0 GHADHM O=C(Nc1cc(F)c(Br)cc1F)c1c[n-]c2ccccc2c1=O ZINC001127243178 870650880 /nfs/dbraw/zinc/65/08/80/870650880.db2.gz HZUDCMYESKVLRM-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM O=C([C@@H]1COc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737793587 870663393 /nfs/dbraw/zinc/66/33/93/870663393.db2.gz YBKPXNXYNNDEQC-LJQANCHMSA-N -1 3 397.438 3.576 20 0 GHADHM O=C([C@@H]1COc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737793587 870663402 /nfs/dbraw/zinc/66/34/02/870663402.db2.gz YBKPXNXYNNDEQC-LJQANCHMSA-N -1 3 397.438 3.576 20 0 GHADHM COc1ccc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)c(Br)c1 ZINC001168792278 870753796 /nfs/dbraw/zinc/75/37/96/870753796.db2.gz ACFWNCGTYDITNN-JTQLQIEISA-N -1 3 378.270 3.682 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](Cn3cccn3)c3ccccc3)cc(=O)oc12 ZINC000746469204 870794644 /nfs/dbraw/zinc/79/46/44/870794644.db2.gz LIQFSZWCLRMZQO-IBGZPJMESA-N -1 3 375.428 3.535 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccc(F)cc1)c1cnccc1Cl ZINC001192930150 870795269 /nfs/dbraw/zinc/79/52/69/870795269.db2.gz RANODUHCMIIMLI-QGZVFWFLSA-N -1 3 398.887 3.710 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(Br)cnc1C(F)(F)F ZINC001193029013 870854487 /nfs/dbraw/zinc/85/44/87/870854487.db2.gz KJFSQPOYNYNZNO-UHFFFAOYSA-N -1 3 379.107 3.960 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1OC(F)F)c1ccc(Cl)cc1F ZINC001193032986 870857105 /nfs/dbraw/zinc/85/71/05/870857105.db2.gz VDJDDYZIYYLLHC-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2Cl)c(Cl)c1 ZINC001193317363 871047378 /nfs/dbraw/zinc/04/73/78/871047378.db2.gz AVASSVOLRRYTPZ-UHFFFAOYSA-N -1 3 394.667 3.801 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)n1 ZINC000540359281 871114038 /nfs/dbraw/zinc/11/40/38/871114038.db2.gz TVZCASIETHGBST-IBGZPJMESA-N -1 3 393.487 3.835 20 0 GHADHM O=S(=O)([N-][C@H](CCc1ccccc1)c1ccccn1)c1cccnc1Cl ZINC001193627904 871196058 /nfs/dbraw/zinc/19/60/58/871196058.db2.gz FEDINWSGZMJTJG-QGZVFWFLSA-N -1 3 387.892 3.782 20 0 GHADHM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000447254796 871268690 /nfs/dbraw/zinc/26/86/90/871268690.db2.gz CZWISNJGTHIFCE-UHFFFAOYSA-N -1 3 387.223 3.718 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC001193746245 871287938 /nfs/dbraw/zinc/28/79/38/871287938.db2.gz QUZPSPHHIRVKLG-UHFFFAOYSA-N -1 3 389.377 3.855 20 0 GHADHM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193746062 871289177 /nfs/dbraw/zinc/28/91/77/871289177.db2.gz OZFXKZRBRZLVFW-UHFFFAOYSA-N -1 3 387.379 3.845 20 0 GHADHM Cc1[nH]c(=O)c(CNC(=O)c2ccc([O-])cc2C(F)(F)F)c2c1CCCC2 ZINC001193758090 871297479 /nfs/dbraw/zinc/29/74/79/871297479.db2.gz LGFUZXAAVNQIDH-UHFFFAOYSA-N -1 3 380.366 3.629 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1C(F)(F)F)c1cccc(O)c1 ZINC001193759191 871299068 /nfs/dbraw/zinc/29/90/68/871299068.db2.gz QGZRXOQWBZVYMP-MRXNPFEDSA-N -1 3 397.349 3.541 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000667199200 871321786 /nfs/dbraw/zinc/32/17/86/871321786.db2.gz FPOJVCOICDUDAN-PXNSSMCTSA-N -1 3 389.455 3.886 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c[nH]c(-c2cccc(OC)c2)c1 ZINC001193853370 871354572 /nfs/dbraw/zinc/35/45/72/871354572.db2.gz FAKGDPXAFFOYQO-UHFFFAOYSA-N -1 3 384.363 3.574 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)C1 ZINC000525778560 871420000 /nfs/dbraw/zinc/42/00/00/871420000.db2.gz JZEDPRQNGVSDOP-UHFFFAOYSA-N -1 3 389.455 3.821 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN(c4ccccc4F)C[C@H]3C)cc(=O)oc12 ZINC001194020588 871438336 /nfs/dbraw/zinc/43/83/36/871438336.db2.gz KNSATBXJFWISRO-CQSZACIVSA-N -1 3 382.435 3.657 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2cccs2)cc1)c1ccccc1 ZINC001194182181 871533390 /nfs/dbraw/zinc/53/33/90/871533390.db2.gz MPTLBWRISYSJCX-SFHVURJKSA-N -1 3 387.482 3.608 20 0 GHADHM Cc1ccc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c([O-])c1 ZINC000618363843 871550104 /nfs/dbraw/zinc/55/01/04/871550104.db2.gz AJGAEGCIHLVQKJ-INIZCTEOSA-N -1 3 376.250 3.677 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC34CCC(CC3)C4)n2)cc1F ZINC000462110369 871628451 /nfs/dbraw/zinc/62/84/51/871628451.db2.gz HTPUTQZWDRTAPP-CDJWAVJASA-N -1 3 393.484 3.745 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1F ZINC000122367703 882532273 /nfs/dbraw/zinc/53/22/73/882532273.db2.gz FXCXXUVOHLWNOA-SNVBAGLBSA-N -1 3 397.378 3.502 20 0 GHADHM COc1ccc(Br)c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000539322188 871686136 /nfs/dbraw/zinc/68/61/36/871686136.db2.gz ZLLCHOLSVLAONW-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc4c3OCC4(C)C)cc2)n1 ZINC000447497078 871705452 /nfs/dbraw/zinc/70/54/52/871705452.db2.gz SUDKMAGFZQVYHC-UHFFFAOYSA-N -1 3 375.428 3.668 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1cccc2c(Cl)nccc21 ZINC001194490757 871745660 /nfs/dbraw/zinc/74/56/60/871745660.db2.gz QEWVOZTWVZONTR-UHFFFAOYSA-N -1 3 383.256 3.835 20 0 GHADHM COc1cccc(-c2nc(CN3[C@H](C)[C@H](C(=O)[O-])CC[C@@H]3C)cs2)c1OC ZINC000566509912 871746521 /nfs/dbraw/zinc/74/65/21/871746521.db2.gz HRFCLLNJUURMSW-GZBFAFLISA-N -1 3 390.505 3.901 20 0 GHADHM C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)cc21 ZINC001169777442 871839175 /nfs/dbraw/zinc/83/91/75/871839175.db2.gz DIFNPUWFBDVSTK-NSHDSACASA-N -1 3 395.846 3.904 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Cl)s1 ZINC000540658285 871858634 /nfs/dbraw/zinc/85/86/34/871858634.db2.gz JREZDNWJGQKUGK-LLVKDONJSA-N -1 3 377.318 3.612 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](c4ccccc4)C[C@H]3C)nc(=O)c2c1C ZINC000253543491 871871303 /nfs/dbraw/zinc/87/13/03/871871303.db2.gz MCPUUTXBFFBPGW-DOMZBBRYSA-N -1 3 397.500 3.870 20 0 GHADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000539386108 871875859 /nfs/dbraw/zinc/87/58/59/871875859.db2.gz BDIMPXQYSOGDFZ-HWPZZCPQSA-N -1 3 375.824 3.673 20 0 GHADHM O=S(=O)([N-]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(F)cc1C(F)(F)F ZINC001194727447 871921653 /nfs/dbraw/zinc/92/16/53/871921653.db2.gz POGXTFDMUCGVEO-CLYYMRHHSA-N -1 3 383.432 3.797 20 0 GHADHM Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc(C(F)(F)F)c1 ZINC001194981279 872082952 /nfs/dbraw/zinc/08/29/52/872082952.db2.gz GWDUFMPPYLAZCU-UHFFFAOYSA-N -1 3 390.358 3.777 20 0 GHADHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccc(C)cc1C ZINC001194996101 872094912 /nfs/dbraw/zinc/09/49/12/872094912.db2.gz LMMHCEZBLQWPFE-QGZVFWFLSA-N -1 3 378.469 3.695 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCOC2(CCC2)C1 ZINC001195001656 872096401 /nfs/dbraw/zinc/09/64/01/872096401.db2.gz VRAFZXPEYQZQRW-ZDUSSCGKSA-N -1 3 394.356 3.528 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(CC)c(C)s3)c2)[n-]1 ZINC000447690713 872127605 /nfs/dbraw/zinc/12/76/05/872127605.db2.gz ZSKSPJUJTVAITC-UHFFFAOYSA-N -1 3 398.488 3.511 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(CC)c(C)s3)c2)n[n-]1 ZINC000447690713 872127617 /nfs/dbraw/zinc/12/76/17/872127617.db2.gz ZSKSPJUJTVAITC-UHFFFAOYSA-N -1 3 398.488 3.511 20 0 GHADHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000182342149 872231514 /nfs/dbraw/zinc/23/15/14/872231514.db2.gz VBVRFFVSODCQBZ-UHFFFAOYSA-N -1 3 386.376 3.769 20 0 GHADHM CCc1cc(N)nc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000447786605 872297563 /nfs/dbraw/zinc/29/75/63/872297563.db2.gz NGRSZBLOCALDNE-UHFFFAOYSA-N -1 3 385.474 3.714 20 0 GHADHM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3c(F)cccc3Cl)cn2)CC1 ZINC000463680000 872319726 /nfs/dbraw/zinc/31/97/26/872319726.db2.gz VDPNNZWUUHUJLH-UHFFFAOYSA-N -1 3 397.903 3.589 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000463694692 872352523 /nfs/dbraw/zinc/35/25/23/872352523.db2.gz BOXJUJCVAWGXPZ-HIFRSBDPSA-N -1 3 382.888 3.593 20 0 GHADHM O=C(NC(=S)[N-]c1ccccc1S(=O)(=O)C1CCCC1)c1ccccc1 ZINC001195421534 872409866 /nfs/dbraw/zinc/40/98/66/872409866.db2.gz HQZKVEDNJOUCQL-UHFFFAOYSA-N -1 3 388.514 3.530 20 0 GHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507581355 872436585 /nfs/dbraw/zinc/43/65/85/872436585.db2.gz IZUSGWKASUWFJT-UHFFFAOYSA-N -1 3 375.805 3.530 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447876096 872452869 /nfs/dbraw/zinc/45/28/69/872452869.db2.gz XVMBXNACKCEDMT-LBPRGKRZSA-N -1 3 391.333 3.827 20 0 GHADHM C[C@H]1CC[C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000478109469 872516939 /nfs/dbraw/zinc/51/69/39/872516939.db2.gz HOULLCPFIUVIDS-LSDHHAIUSA-N -1 3 390.480 3.793 20 0 GHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001195678404 872546381 /nfs/dbraw/zinc/54/63/81/872546381.db2.gz VSSUVHLELBKVSD-UHFFFAOYSA-N -1 3 388.514 3.730 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1cccc(C(F)(F)F)c1 ZINC000121406028 872550667 /nfs/dbraw/zinc/55/06/67/872550667.db2.gz DKMNBRINRYUXGS-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195666379 872572679 /nfs/dbraw/zinc/57/26/79/872572679.db2.gz WXMNDIPYXIOVKJ-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM CC[C@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H](C)CC ZINC000767516724 872587297 /nfs/dbraw/zinc/58/72/97/872587297.db2.gz WZWINSAYVKBQKP-KBPBESRZSA-N -1 3 386.533 3.942 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182609819 872607778 /nfs/dbraw/zinc/60/77/78/872607778.db2.gz OAQYWWQQMUFZSP-HNNXBMFYSA-N -1 3 377.872 3.889 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC001272350772 872627772 /nfs/dbraw/zinc/62/77/72/872627772.db2.gz UKEUUYSQKIWFSI-UHFFFAOYSA-N -1 3 388.474 3.506 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC001272350772 872627781 /nfs/dbraw/zinc/62/77/81/872627781.db2.gz UKEUUYSQKIWFSI-UHFFFAOYSA-N -1 3 388.474 3.506 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)[n-]1 ZINC000619447887 872636979 /nfs/dbraw/zinc/63/69/79/872636979.db2.gz SPLCEJHUKKUJIQ-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c[n-]1 ZINC000619447887 872636983 /nfs/dbraw/zinc/63/69/83/872636983.db2.gz SPLCEJHUKKUJIQ-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cccc([N+](=O)[O-])c1Br ZINC000182646023 872646771 /nfs/dbraw/zinc/64/67/71/872646771.db2.gz BIEPWZKHSRORRY-UHFFFAOYSA-N -1 3 384.117 3.657 20 0 GHADHM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cc2)n1 ZINC001195794585 872667480 /nfs/dbraw/zinc/66/74/80/872667480.db2.gz AWTQSMAFXMZHMA-UHFFFAOYSA-N -1 3 387.486 3.751 20 0 GHADHM COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527108937 872673524 /nfs/dbraw/zinc/67/35/24/872673524.db2.gz RUIKWFFEEPSBMS-FQEVSTJZSA-N -1 3 390.418 3.819 20 0 GHADHM O=S(=O)(NC1(c2ccccc2F)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195835249 872703950 /nfs/dbraw/zinc/70/39/50/872703950.db2.gz JZQZTDWBRYKLCX-UHFFFAOYSA-N -1 3 385.407 3.914 20 0 GHADHM COc1ccc(N[C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000182727688 872710823 /nfs/dbraw/zinc/71/08/23/872710823.db2.gz RSEKKYHUYYZJRB-BUXKBTBVSA-N -1 3 378.469 3.941 20 0 GHADHM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1cnccc1C(F)(F)F ZINC000527195259 872781836 /nfs/dbraw/zinc/78/18/36/872781836.db2.gz YDTBNQFKZMWPFT-UHFFFAOYSA-N -1 3 376.425 3.519 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000463919069 872857008 /nfs/dbraw/zinc/85/70/08/872857008.db2.gz GIHCUQIPQZTDHD-STQMWFEESA-N -1 3 381.473 3.509 20 0 GHADHM CCc1nn(C)c(Cl)c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000767839189 872885260 /nfs/dbraw/zinc/88/52/60/872885260.db2.gz CCHRPKCFXRZNAS-QMMMGPOBSA-N -1 3 394.884 3.881 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cccc2n[n-]nc21 ZINC000527364712 873086507 /nfs/dbraw/zinc/08/65/07/873086507.db2.gz DXWQXMPAJBPZAT-CQSZACIVSA-N -1 3 389.484 3.617 20 0 GHADHM O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000527364590 873088233 /nfs/dbraw/zinc/08/82/33/873088233.db2.gz CUOWBMIRQUDONU-CYBMUJFWSA-N -1 3 386.280 3.593 20 0 GHADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc([O-])cc(I)c1 ZINC001196427403 873109034 /nfs/dbraw/zinc/10/90/34/873109034.db2.gz JOMUFWATBNVOPG-SECBINFHSA-N -1 3 395.187 3.552 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1F ZINC001196490674 873168541 /nfs/dbraw/zinc/16/85/41/873168541.db2.gz KSHRSPBTRSRNFM-UHFFFAOYSA-N -1 3 396.440 3.982 20 0 GHADHM CCOC(=O)[C@@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000527469626 873170315 /nfs/dbraw/zinc/17/03/15/873170315.db2.gz LVYZLLQIAMCVJA-QHCPKHFHSA-N -1 3 377.440 3.796 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2Br)c1 ZINC001196719141 873318889 /nfs/dbraw/zinc/31/88/89/873318889.db2.gz LKQFTVWSRFMOGC-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC1=CC[C@H](C(F)(F)F)CC1)OCC ZINC001196768809 873345696 /nfs/dbraw/zinc/34/56/96/873345696.db2.gz VSBMUQZZUKBZOT-NSHDSACASA-N -1 3 375.391 3.782 20 0 GHADHM Cc1nc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)nc2)cc(=O)[n-]1 ZINC001196793694 873364522 /nfs/dbraw/zinc/36/45/22/873364522.db2.gz OBDDPYJBZLCIPT-UHFFFAOYSA-N -1 3 390.321 3.704 20 0 GHADHM COC(=O)CCCCS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC001196954706 873496429 /nfs/dbraw/zinc/49/64/29/873496429.db2.gz KUVVXMKXHRSSGJ-UHFFFAOYSA-N -1 3 379.503 3.923 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000541442071 873586747 /nfs/dbraw/zinc/58/67/47/873586747.db2.gz KUWYSNJNWPEDJV-OAHLLOKOSA-N -1 3 382.386 3.706 20 0 GHADHM CC[C@H](CO)N(Cc1ccccc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001197115603 873608482 /nfs/dbraw/zinc/60/84/82/873608482.db2.gz MPUNFTJRTNUFOI-MRXNPFEDSA-N -1 3 387.863 3.925 20 0 GHADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc([O-])cc(Br)c1 ZINC000527831470 873647194 /nfs/dbraw/zinc/64/71/94/873647194.db2.gz RJIDOSQCPRFUEM-KRWDZBQOSA-N -1 3 392.249 3.965 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3ccccc3C(F)(F)F)c12 ZINC001197260747 873681396 /nfs/dbraw/zinc/68/13/96/873681396.db2.gz VWAQSDPIQNBVDP-UHFFFAOYSA-N -1 3 380.351 3.869 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(c2ccccc2F)C1 ZINC000464375600 873742736 /nfs/dbraw/zinc/74/27/36/873742736.db2.gz NTIUCPXJFCCNEL-UHFFFAOYSA-N -1 3 379.229 3.603 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1nnc2ccccc2c1[O-] ZINC000769050269 873790305 /nfs/dbraw/zinc/79/03/05/873790305.db2.gz KOXLRYHTOOYRPO-UHFFFAOYSA-N -1 3 385.427 3.788 20 0 GHADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000464408741 873826064 /nfs/dbraw/zinc/82/60/64/873826064.db2.gz RWXBAOHIKVGORQ-AWEZNQCLSA-N -1 3 396.915 3.983 20 0 GHADHM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c2ccccc2n1 ZINC000464423465 873851819 /nfs/dbraw/zinc/85/18/19/873851819.db2.gz CDUHPYSEPHKVHP-UHFFFAOYSA-N -1 3 380.828 3.514 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(Br)c(Cl)c1 ZINC000509181551 873882019 /nfs/dbraw/zinc/88/20/19/873882019.db2.gz GRKYXROMWPPNLX-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(Br)c(Cl)c1 ZINC000509181551 873882030 /nfs/dbraw/zinc/88/20/30/873882030.db2.gz GRKYXROMWPPNLX-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COC(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1F ZINC001197652161 873948887 /nfs/dbraw/zinc/94/88/87/873948887.db2.gz DUAFEACRPYELMD-UHFFFAOYSA-N -1 3 389.379 3.526 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1(C)C ZINC001197728683 874012889 /nfs/dbraw/zinc/01/28/89/874012889.db2.gz OOJMJDCILVFHLD-KRWDZBQOSA-N -1 3 398.507 3.584 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000448856441 874055051 /nfs/dbraw/zinc/05/50/51/874055051.db2.gz AQKYESJMKCTBHP-HNNXBMFYSA-N -1 3 399.397 3.669 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000448849872 874077287 /nfs/dbraw/zinc/07/72/87/874077287.db2.gz YLQQVTXMLQMNDT-UHFFFAOYSA-N -1 3 380.872 3.919 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)C(F)(F)F ZINC000769662216 874219619 /nfs/dbraw/zinc/21/96/19/874219619.db2.gz LYLKBCJXEMRJLI-GOSISDBHSA-N -1 3 395.381 3.551 20 0 GHADHM NC(=O)c1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c([O-])c1 ZINC001198233402 874302062 /nfs/dbraw/zinc/30/20/62/874302062.db2.gz BNOZQHPYPXNQKP-UHFFFAOYSA-N -1 3 389.786 3.972 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCc2ccccc2)c1)c1cccc(Cl)n1 ZINC001198246099 874308323 /nfs/dbraw/zinc/30/83/23/874308323.db2.gz ZXVXGWJPIUWETA-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM CCc1c2ccccc2oc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000448983410 874312439 /nfs/dbraw/zinc/31/24/39/874312439.db2.gz NOWKLAKVFPSPCX-UHFFFAOYSA-N -1 3 392.455 3.735 20 0 GHADHM CCc1nc(N)sc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000775867085 874470073 /nfs/dbraw/zinc/47/00/73/874470073.db2.gz GCODNZUBFITAFD-ZETCQYMHSA-N -1 3 378.479 3.533 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC001198722930 874581560 /nfs/dbraw/zinc/58/15/60/874581560.db2.gz PMFURKLXNIAILG-UHFFFAOYSA-N -1 3 375.277 3.611 20 0 GHADHM O=C(COC(=O)c1ccc(Cl)cc1C(F)(F)F)[N-]C(=O)c1cccs1 ZINC000770500450 874707448 /nfs/dbraw/zinc/70/74/48/874707448.db2.gz KQAHIMSNXVRCPO-UHFFFAOYSA-N -1 3 391.754 3.534 20 0 GHADHM CCC(CC)Oc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000449361380 874784697 /nfs/dbraw/zinc/78/46/97/874784697.db2.gz JDCIXJKQFOADNK-UHFFFAOYSA-N -1 3 376.478 3.878 20 0 GHADHM COCCCn1c(C)cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775933326 874794558 /nfs/dbraw/zinc/79/45/58/874794558.db2.gz NFZAHPYKLTUPBW-UHFFFAOYSA-N -1 3 379.840 3.540 20 0 GHADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc([S@](C)=O)cc1 ZINC000542040539 874801651 /nfs/dbraw/zinc/80/16/51/874801651.db2.gz MYTLFWZCNNXAOA-JWNZJDHWSA-N -1 3 381.457 3.670 20 0 GHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc(C(F)(F)F)nn1Cc1ccccn1 ZINC001199108900 874823215 /nfs/dbraw/zinc/82/32/15/874823215.db2.gz ARJKOCDXIDGPHX-UHFFFAOYSA-N -1 3 396.756 3.957 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000528796706 875069777 /nfs/dbraw/zinc/06/97/77/875069777.db2.gz GKGBPPCSJWBMNP-HIFRSBDPSA-N -1 3 396.306 3.945 20 0 GHADHM CC[C@H](c1ccc(Br)cc1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000542196898 875157716 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O=c1[nH]cc([N-]S(=O)(=O)c2cccc(F)c2Br)c2ccccc12 ZINC001201771362 875852396 /nfs/dbraw/zinc/85/23/96/875852396.db2.gz OGHCFGXSBNXOBJ-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(Cl)c1)c1cccc(F)c1Br ZINC001201770591 875852485 /nfs/dbraw/zinc/85/24/85/875852485.db2.gz NZSGCDTUNZAYPS-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]Cc1cncc2ccccc21)c1cccc(F)c1Br ZINC001201789977 875885163 /nfs/dbraw/zinc/88/51/63/875885163.db2.gz RYUPANZYUHYFGS-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cccc(F)c1Br ZINC001201790268 875885253 /nfs/dbraw/zinc/88/52/53/875885253.db2.gz YXVASVGFWPJOPD-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ncccc1OCc1ccccc1)c1ccccc1 ZINC001201885913 875903724 /nfs/dbraw/zinc/90/37/24/875903724.db2.gz WTKPSYBQFYFPCY-KRWDZBQOSA-N -1 3 382.485 3.743 20 0 GHADHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1(F)F ZINC000660023260 875985945 /nfs/dbraw/zinc/98/59/45/875985945.db2.gz ZBHXGHVXNPGCFU-SNVBAGLBSA-N -1 3 375.771 3.511 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)s1 ZINC000921429778 882999453 /nfs/dbraw/zinc/99/94/53/882999453.db2.gz DOQALWJPKPNBCC-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000179445136 883000170 /nfs/dbraw/zinc/00/01/70/883000170.db2.gz DDGKSWFBNLODML-SFHVURJKSA-N -1 3 383.448 3.736 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000785952700 876361830 /nfs/dbraw/zinc/36/18/30/876361830.db2.gz OMUJPSSSDCMZCQ-LLVKDONJSA-N -1 3 381.341 3.745 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1 ZINC000537657176 883025230 /nfs/dbraw/zinc/02/52/30/883025230.db2.gz MMLYANFOCUBUJX-UHFFFAOYSA-N -1 3 375.274 3.856 20 0 GHADHM Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc4occc4[n-]3)s2)cc1 ZINC000786034843 876421657 /nfs/dbraw/zinc/42/16/57/876421657.db2.gz XDCDRIYUEZAVKL-UHFFFAOYSA-N -1 3 382.401 3.530 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3[C@@H](O)C(F)(F)F)c[n-]c12 ZINC000804537964 883028260 /nfs/dbraw/zinc/02/82/60/883028260.db2.gz IQXVUCZTFYMDSL-QGZVFWFLSA-N -1 3 394.324 3.824 20 0 GHADHM COC(=O)C[C@](C)(NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000476761696 883035353 /nfs/dbraw/zinc/03/53/53/883035353.db2.gz LXQWNOTYWNMPLI-NRFANRHFSA-N -1 3 391.414 3.588 20 0 GHADHM O=C(OCc1cccc(Cl)c1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000786291419 876591176 /nfs/dbraw/zinc/59/11/76/876591176.db2.gz XOJDTQJLLBDIPV-OAHLLOKOSA-N -1 3 377.799 3.533 20 0 GHADHM CC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000529801987 876684780 /nfs/dbraw/zinc/68/47/80/876684780.db2.gz XUYITNHWPAVTDQ-ICSRJNTNSA-N -1 3 380.488 3.524 20 0 GHADHM Cc1c(F)c(Br)ccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129638634 883059534 /nfs/dbraw/zinc/05/95/34/883059534.db2.gz AIZJJAFLIVKHPN-UHFFFAOYSA-N -1 3 380.217 3.523 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000173976918 876756638 /nfs/dbraw/zinc/75/66/38/876756638.db2.gz DMENDNBDSBDOJY-AWEZNQCLSA-N -1 3 377.359 3.511 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C)C(F)F)c2)cc1 ZINC000786518049 876766148 /nfs/dbraw/zinc/76/61/48/876766148.db2.gz ZZZSLAHZNBPKRG-LBPRGKRZSA-N -1 3 399.415 3.615 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000174035926 876789895 /nfs/dbraw/zinc/78/98/95/876789895.db2.gz DCEDPOSHEVXAGW-SNVBAGLBSA-N -1 3 391.415 3.567 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(Br)c1 ZINC000475748812 883081536 /nfs/dbraw/zinc/08/15/36/883081536.db2.gz LVOXAUHGCUUBNK-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC000786882047 877034101 /nfs/dbraw/zinc/03/41/01/877034101.db2.gz ZOFVWOKQVZPJDS-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN[C@@H]2CCCCc3ccccc32)n1 ZINC000850575850 877043131 /nfs/dbraw/zinc/04/31/31/877043131.db2.gz DETCQLYAIMDOCA-GOSISDBHSA-N -1 3 398.507 3.764 20 0 GHADHM CC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccccc1F ZINC000850576075 877045022 /nfs/dbraw/zinc/04/50/22/877045022.db2.gz GUUWRFNJDPTFIG-MRXNPFEDSA-N -1 3 390.459 3.587 20 0 GHADHM CCC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccccc1 ZINC000850576895 877047162 /nfs/dbraw/zinc/04/71/62/877047162.db2.gz SBEWWOGVFQBLSU-QGZVFWFLSA-N -1 3 386.496 3.838 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1N(C)C ZINC000109425198 877077685 /nfs/dbraw/zinc/07/76/85/877077685.db2.gz KIFZDFVUMFFEPX-UHFFFAOYSA-N -1 3 381.457 3.581 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CN(C)C)c(Cl)c1)c1ccccc1 ZINC000451019069 877198310 /nfs/dbraw/zinc/19/83/10/877198310.db2.gz UHIHHIMYOSSUTE-GOSISDBHSA-N -1 3 382.913 3.531 20 0 GHADHM O=C([O-])c1cc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)cs1 ZINC000530163648 877236218 /nfs/dbraw/zinc/23/62/18/877236218.db2.gz JNYHDUKPXJZNNZ-UHFFFAOYSA-N -1 3 375.494 3.942 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787244686 877262004 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391.809 3.798 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H]1c1cccc(Br)c1 ZINC000109954617 877630527 /nfs/dbraw/zinc/63/05/27/877630527.db2.gz SNPJQCJBNMYTOQ-INIZCTEOSA-N -1 3 398.260 3.663 20 0 GHADHM O=C(NCc1cccc(COCc2ccccc2)c1)c1nnc2ccccc2c1[O-] ZINC000109948791 877631135 /nfs/dbraw/zinc/63/11/35/877631135.db2.gz QJBBMEHARGXJPS-UHFFFAOYSA-N -1 3 399.450 3.570 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000787846647 877668075 /nfs/dbraw/zinc/66/80/75/877668075.db2.gz XXCWZDNBYPQYQJ-UONOGXRCSA-N -1 3 391.414 3.802 20 0 GHADHM CC[C@@H](C)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000665976895 877774850 /nfs/dbraw/zinc/77/48/50/877774850.db2.gz QFFFSNWLGAXDLT-CYBMUJFWSA-N -1 3 381.904 3.842 20 0 GHADHM Cc1ccc(-c2ccc(C)c(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)c2)o1 ZINC000477548422 877831289 /nfs/dbraw/zinc/83/12/89/877831289.db2.gz BMYOBGRDRBMPQO-UHFFFAOYSA-N -1 3 385.445 3.582 20 0 GHADHM C[C@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1OCCc2sccc21 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3.636 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C)C2(F)F)cc1 ZINC000460684898 878379308 /nfs/dbraw/zinc/37/93/08/878379308.db2.gz QNTZASMGVZMZKZ-CZUORRHYSA-N -1 3 394.443 3.944 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1 ZINC000460684896 878379436 /nfs/dbraw/zinc/37/94/36/878379436.db2.gz QNTZASMGVZMZKZ-CJNGLKHVSA-N -1 3 394.443 3.944 20 0 GHADHM O=S(=O)([N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1ccc2c(c1)CCCO2 ZINC000537874223 878477168 /nfs/dbraw/zinc/47/71/68/878477168.db2.gz YQFQFXFGTSSUGK-UHFFFAOYSA-N -1 3 383.473 3.956 20 0 GHADHM C[C@H](c1ccncc1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852673069 878510125 /nfs/dbraw/zinc/51/01/25/878510125.db2.gz FWVUMSKIJQCRIX-ZTFGCOKTSA-N -1 3 377.410 3.679 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cccc(Cl)c1Br ZINC000451822069 878529522 /nfs/dbraw/zinc/52/95/22/878529522.db2.gz JGJOCCIPBUIOMI-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 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VDECTQUELFKXCT-OALUTQOASA-N -1 3 393.439 3.686 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c1 ZINC000616543058 878928076 /nfs/dbraw/zinc/92/80/76/878928076.db2.gz JLDWBOWXLQZDIN-SWLSCSKDSA-N -1 3 387.505 3.715 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000531015241 878949907 /nfs/dbraw/zinc/94/99/07/878949907.db2.gz QWJXISLISDEQBP-OLZOCXBDSA-N -1 3 390.233 3.668 20 0 GHADHM COC(=O)C[C@](C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(F)c1 ZINC000789716816 879223929 /nfs/dbraw/zinc/22/39/29/879223929.db2.gz NMXDWWKDUCKNCH-SFHVURJKSA-N -1 3 383.341 3.651 20 0 GHADHM Cc1cccc(C)c1NC(=O)CCCSCCC[N-]C(=O)C(F)(F)F ZINC000180775160 879316774 /nfs/dbraw/zinc/31/67/74/879316774.db2.gz SNEGNCQOTNIXRI-UHFFFAOYSA-N -1 3 376.444 3.824 20 0 GHADHM Cc1noc(C2(C)CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)n1 ZINC000543752284 912449365 /nfs/dbraw/zinc/44/93/65/912449365.db2.gz XXPMOKNAKDRSPZ-UHFFFAOYSA-N -1 3 391.471 3.868 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4ccc(C)cc4C)CC3)nc2)n1 ZINC000853977306 879413990 /nfs/dbraw/zinc/41/39/90/879413990.db2.gz KTQBCBFSRNIGFF-UHFFFAOYSA-N -1 3 389.503 3.750 20 0 GHADHM O=C1OCCN1c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000180918640 879497048 /nfs/dbraw/zinc/49/70/48/879497048.db2.gz IBUIDWAGPQJAGB-YBFXNURJSA-N -1 3 375.222 3.730 20 0 GHADHM O=C(CCCSc1ccc(Br)cc1)[N-]OCc1cccnc1 ZINC000152639935 879513597 /nfs/dbraw/zinc/51/35/97/879513597.db2.gz KPXJHOZIDKJEKG-UHFFFAOYSA-N -1 3 381.295 3.964 20 0 GHADHM COc1cccc(C)c1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461337770 879633844 /nfs/dbraw/zinc/63/38/44/879633844.db2.gz CDKZGNUDYNEFJA-UHFFFAOYSA-N -1 3 384.295 3.751 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c1[O-] ZINC000531355725 879651853 /nfs/dbraw/zinc/65/18/53/879651853.db2.gz LVDHPZQMRFJRRP-QGZVFWFLSA-N -1 3 383.448 3.507 20 0 GHADHM O=C(N=c1nc(-c2ccccc2)[n-]s1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000531341811 879659195 /nfs/dbraw/zinc/65/91/95/879659195.db2.gz FYXOIJQQSBCKIU-SFHVURJKSA-N -1 3 393.516 3.586 20 0 GHADHM CCOCOc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001183407994 912481531 /nfs/dbraw/zinc/48/15/31/912481531.db2.gz ILHCJMXNKBRUKE-UHFFFAOYSA-N -1 3 390.911 3.736 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C ZINC001183367937 912483808 /nfs/dbraw/zinc/48/38/08/912483808.db2.gz GIXQYSJBPGWSLB-DZGCQCFKSA-N -1 3 390.480 3.720 20 0 GHADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)ccc21 ZINC000790475805 879749972 /nfs/dbraw/zinc/74/99/72/879749972.db2.gz UOGPGXDCOCGRQX-UHFFFAOYSA-N -1 3 386.395 3.610 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H]2CCc3ccccc3[C@H]2O)c([O-])c1 ZINC001183381431 912494535 /nfs/dbraw/zinc/49/45/35/912494535.db2.gz ASLNFVQUPCWLIJ-QFBILLFUSA-N -1 3 383.444 3.582 20 0 GHADHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001212306411 879914162 /nfs/dbraw/zinc/91/41/62/879914162.db2.gz CWGHMFDSJIFCGQ-KUHUBIRLSA-N -1 3 388.514 3.519 20 0 GHADHM Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000854581212 879923036 /nfs/dbraw/zinc/92/30/36/879923036.db2.gz CBGHTNZXXYIDIB-KRWDZBQOSA-N -1 3 396.447 3.781 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cc2C1 ZINC000854823372 880079192 /nfs/dbraw/zinc/07/91/92/880079192.db2.gz DJDKREWBCYBKLB-UHFFFAOYSA-N -1 3 396.369 3.932 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cc2C1 ZINC000854823372 880079202 /nfs/dbraw/zinc/07/92/02/880079202.db2.gz DJDKREWBCYBKLB-UHFFFAOYSA-N -1 3 396.369 3.932 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000730502913 880226405 /nfs/dbraw/zinc/22/64/05/880226405.db2.gz ILPUJSYLDYWTCV-HNNXBMFYSA-N -1 3 392.496 3.620 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1F ZINC000184175775 880240073 /nfs/dbraw/zinc/24/00/73/880240073.db2.gz RIVXRCQROJWIGR-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2sccc2c([O-])c1 ZINC000791310247 880347369 /nfs/dbraw/zinc/34/73/69/880347369.db2.gz UIRVNQUFRBFZON-UHFFFAOYSA-N -1 3 377.429 3.848 20 0 GHADHM O=S(=O)(Cc1ncc(Cl)cc1Cl)c1nnc(CCC2CCCC2)[n-]1 ZINC000184799631 880383006 /nfs/dbraw/zinc/38/30/06/880383006.db2.gz UJJZNJKGJVBSHB-UHFFFAOYSA-N -1 3 389.308 3.603 20 0 GHADHM O=S(=O)(Cc1ncc(Cl)cc1Cl)c1nc(CCC2CCCC2)n[n-]1 ZINC000184799631 880383024 /nfs/dbraw/zinc/38/30/24/880383024.db2.gz UJJZNJKGJVBSHB-UHFFFAOYSA-N -1 3 389.308 3.603 20 0 GHADHM CO[C@](C)(CNC(=O)c1cc2sccc2c([O-])c1)COCc1ccccc1 ZINC000855400480 880505417 /nfs/dbraw/zinc/50/54/17/880505417.db2.gz XPEUIEMAPRULFQ-OAQYLSRUSA-N -1 3 385.485 3.959 20 0 GHADHM CCc1cccc(CC)c1NC(=O)Cc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453166990 880569483 /nfs/dbraw/zinc/56/94/83/880569483.db2.gz IEZNATMCACCBSZ-UHFFFAOYSA-N -1 3 383.423 3.811 20 0 GHADHM O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cc([O-])c2ccccc2c1 ZINC000792036746 880887404 /nfs/dbraw/zinc/88/74/04/880887404.db2.gz WBOHHRLYARICKX-KRWDZBQOSA-N -1 3 390.439 3.707 20 0 GHADHM COc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc2c1O[C@@H](C)C2 ZINC000792482822 881137518 /nfs/dbraw/zinc/13/75/18/881137518.db2.gz FTKCXRCZOWRAGW-NSHDSACASA-N -1 3 390.399 3.802 20 0 GHADHM COc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc2c1O[C@@H](C)C2 ZINC000792482822 881137531 /nfs/dbraw/zinc/13/75/31/881137531.db2.gz FTKCXRCZOWRAGW-NSHDSACASA-N -1 3 390.399 3.802 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000057785702 881140901 /nfs/dbraw/zinc/14/09/01/881140901.db2.gz NNXJZPRNAUKHDY-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c(Cl)nc2ccccn21 ZINC000792486837 881141946 /nfs/dbraw/zinc/14/19/46/881141946.db2.gz SEMNEDUAZDRXFE-UHFFFAOYSA-N -1 3 378.779 3.771 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c(Cl)nc2ccccn21 ZINC000792486837 881141952 /nfs/dbraw/zinc/14/19/52/881141952.db2.gz SEMNEDUAZDRXFE-UHFFFAOYSA-N -1 3 378.779 3.771 20 0 GHADHM CCOc1c(Cl)cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1OC ZINC000551057455 883201041 /nfs/dbraw/zinc/20/10/41/883201041.db2.gz YAJJGQPMESCYFI-FQEVSTJZSA-N -1 3 393.842 3.902 20 0 GHADHM CC1(C)CC[C@@](NCc2cncc(Br)c2)(C(=O)[O-])c2ccccc21 ZINC000551070975 883229005 /nfs/dbraw/zinc/22/90/05/883229005.db2.gz CCYRVVHPRVXTAM-IBGZPJMESA-N -1 3 389.293 3.985 20 0 GHADHM O=C([N-][C@H]1COCc2ccccc21)C(F)(F)c1ccc(Br)cc1 ZINC001129858530 883261404 /nfs/dbraw/zinc/26/14/04/883261404.db2.gz MQSJOZUSHOARFK-HNNXBMFYSA-N -1 3 382.204 3.929 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc2sccc2c([O-])c1 ZINC000804729198 883312628 /nfs/dbraw/zinc/31/26/28/883312628.db2.gz HOTMRBYSUSBYMA-UHFFFAOYSA-N -1 3 390.411 3.974 20 0 GHADHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000774659453 912705797 /nfs/dbraw/zinc/70/57/97/912705797.db2.gz VQPRYTMGZIMGBC-ZANVPECISA-N -1 3 382.309 3.562 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)ccc1Br ZINC000476931306 883386213 /nfs/dbraw/zinc/38/62/13/883386213.db2.gz YTKSAJDQUVBMON-UHFFFAOYSA-N -1 3 399.310 3.633 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1nc(C(F)(F)F)cs1 ZINC000805020852 883536354 /nfs/dbraw/zinc/53/63/54/883536354.db2.gz ZYNNLBPKSARUGZ-QMMMGPOBSA-N -1 3 399.847 3.948 20 0 GHADHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000136049175 883632982 /nfs/dbraw/zinc/63/29/82/883632982.db2.gz BATQONDUJABXBL-GTNSWQLSSA-N -1 3 393.409 3.558 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccc2ncccc2c1 ZINC000194259783 883739472 /nfs/dbraw/zinc/73/94/72/883739472.db2.gz ANTLQWNNCJVJEI-UHFFFAOYSA-N -1 3 386.249 3.702 20 0 GHADHM CC[C@@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC ZINC001130153033 883755951 /nfs/dbraw/zinc/75/59/51/883755951.db2.gz UEFZKKGMDOOUQN-ZWNOBZJWSA-N -1 3 392.240 3.635 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000609873166 883759296 /nfs/dbraw/zinc/75/92/96/883759296.db2.gz KHZGEZKBLBGIQN-XMMPIXPASA-N -1 3 379.547 3.799 20 0 GHADHM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1Br ZINC000551420679 883843728 /nfs/dbraw/zinc/84/37/28/883843728.db2.gz KVWVNJKIAJFTHF-GOSISDBHSA-N -1 3 394.240 3.613 20 0 GHADHM CSc1cc(F)ccc1[N-]C(=O)c1csc(I)n1 ZINC001130290241 883941541 /nfs/dbraw/zinc/94/15/41/883941541.db2.gz GAYZGHUNWFHWAL-UHFFFAOYSA-N -1 3 394.234 3.861 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001183765342 912775101 /nfs/dbraw/zinc/77/51/01/912775101.db2.gz HHUGGCFLHJDOFA-QGZVFWFLSA-N -1 3 398.459 3.842 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-])c1ccco1 ZINC000153499781 884038124 /nfs/dbraw/zinc/03/81/24/884038124.db2.gz SGMXYORSEOXCLL-MRXNPFEDSA-N -1 3 384.819 3.618 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC001183754062 912798849 /nfs/dbraw/zinc/79/88/49/912798849.db2.gz YGIXMHFAQALZOB-SFHVURJKSA-N -1 3 382.460 3.561 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)n1 ZINC000064342947 884229131 /nfs/dbraw/zinc/22/91/31/884229131.db2.gz LLBCQLJDNPSKMZ-UHFFFAOYSA-N -1 3 398.260 3.689 20 0 GHADHM O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)c1cn[n-]n1 ZINC000476225073 884279750 /nfs/dbraw/zinc/27/97/50/884279750.db2.gz FRNBCQCTGBCZHK-UHFFFAOYSA-N -1 3 388.880 3.559 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000476249733 884290811 /nfs/dbraw/zinc/29/08/11/884290811.db2.gz GHZXBXFRYYFHJW-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000328090623 884569172 /nfs/dbraw/zinc/56/91/72/884569172.db2.gz USUJWUDPVVBFPF-UHFFFAOYSA-N -1 3 384.860 3.599 20 0 GHADHM CC(C)Oc1ccc(CCNC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000918939644 884626160 /nfs/dbraw/zinc/62/61/60/884626160.db2.gz IAFWSMDVMQDAJC-UHFFFAOYSA-N -1 3 386.473 3.532 20 0 GHADHM CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919047635 884804750 /nfs/dbraw/zinc/80/47/50/884804750.db2.gz ZBWUAKMIXFAETK-UHFFFAOYSA-N -1 3 375.174 3.525 20 0 GHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000914891258 885117450 /nfs/dbraw/zinc/11/74/50/885117450.db2.gz LJTGCOJZWUVBPN-LBPRGKRZSA-N -1 3 397.456 3.540 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000747368248 885196684 /nfs/dbraw/zinc/19/66/84/885196684.db2.gz DMFOLDIVHFQTIQ-UHFFFAOYSA-N -1 3 376.844 3.868 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)ccc1F ZINC001130837262 885227645 /nfs/dbraw/zinc/22/76/45/885227645.db2.gz ZDPVQYQEFYKTAH-KRWDZBQOSA-N -1 3 396.528 3.555 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCSc4ccccc43)n[n-]2)o1 ZINC000919326688 885336239 /nfs/dbraw/zinc/33/62/39/885336239.db2.gz BCMYPSYZLTVTSC-ZDUSSCGKSA-N -1 3 397.456 3.662 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCSc4ccccc43)[n-]n2)o1 ZINC000919326688 885336260 /nfs/dbraw/zinc/33/62/60/885336260.db2.gz BCMYPSYZLTVTSC-ZDUSSCGKSA-N -1 3 397.456 3.662 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)n[n-]2)o1 ZINC000919327014 885338653 /nfs/dbraw/zinc/33/86/53/885338653.db2.gz WHXDOLMLUVPXAQ-UHFFFAOYSA-N -1 3 390.395 3.930 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)[n-]n2)o1 ZINC000919327014 885338669 /nfs/dbraw/zinc/33/86/69/885338669.db2.gz WHXDOLMLUVPXAQ-UHFFFAOYSA-N -1 3 390.395 3.930 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)n[n-]2)o1 ZINC000919327235 885339366 /nfs/dbraw/zinc/33/93/66/885339366.db2.gz FVBAYPWIUAFSAV-UHFFFAOYSA-N -1 3 393.321 3.792 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)[n-]n2)o1 ZINC000919327235 885339386 /nfs/dbraw/zinc/33/93/86/885339386.db2.gz FVBAYPWIUAFSAV-UHFFFAOYSA-N -1 3 393.321 3.792 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CCC1CC1 ZINC000131053927 885442150 /nfs/dbraw/zinc/44/21/50/885442150.db2.gz FTJHNQIKYCBWNL-UHFFFAOYSA-N -1 3 390.480 3.807 20 0 GHADHM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795879145 912941963 /nfs/dbraw/zinc/94/19/63/912941963.db2.gz CRSWJPPTXGNCTI-UHFFFAOYSA-N -1 3 396.818 3.875 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000303446708 885575660 /nfs/dbraw/zinc/57/56/60/885575660.db2.gz HDOLIUNVAUBAFX-SNVBAGLBSA-N -1 3 379.350 3.893 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1Br ZINC000476417175 885722644 /nfs/dbraw/zinc/72/26/44/885722644.db2.gz TUVAIJVRTRLTJP-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=C(Nc1ccc(C2(O)COC2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000807872853 885834976 /nfs/dbraw/zinc/83/49/76/885834976.db2.gz JJORKLJWXZNGKS-UHFFFAOYSA-N -1 3 377.396 3.655 20 0 GHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000170776876 886075872 /nfs/dbraw/zinc/07/58/72/886075872.db2.gz PTZKNJHWULSBMF-UHFFFAOYSA-N -1 3 390.530 3.520 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1c(OC)cccc1C(F)(F)F ZINC001168490482 886235826 /nfs/dbraw/zinc/23/58/26/886235826.db2.gz CAGXEGHAMHTKSA-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1c(OC)cccc1C(F)(F)F ZINC001168490482 886235843 /nfs/dbraw/zinc/23/58/43/886235843.db2.gz CAGXEGHAMHTKSA-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cnc(-c2ccccc2F)s1 ZINC000118688182 886240967 /nfs/dbraw/zinc/24/09/67/886240967.db2.gz KENPYPIDCONUOE-UHFFFAOYSA-N -1 3 382.463 3.667 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1C ZINC000808552585 886471520 /nfs/dbraw/zinc/47/15/20/886471520.db2.gz BXWFQFICTGINKX-UHFFFAOYSA-N -1 3 389.260 3.593 20 0 GHADHM O=C(CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)N1CCCC1 ZINC000057125157 886473764 /nfs/dbraw/zinc/47/37/64/886473764.db2.gz RXFFKYVCAJKORV-UHFFFAOYSA-N -1 3 398.528 3.531 20 0 GHADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000808568429 886515820 /nfs/dbraw/zinc/51/58/20/886515820.db2.gz KMXHEEBTMTWDSK-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)cc1F ZINC000132085833 886671939 /nfs/dbraw/zinc/67/19/39/886671939.db2.gz MMKBZPBPPMSJPM-LJQANCHMSA-N -1 3 392.402 3.875 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCSc2ccccc21 ZINC000640291402 886744390 /nfs/dbraw/zinc/74/43/90/886744390.db2.gz XVGKHKBSURVTPU-LLVKDONJSA-N -1 3 390.818 3.879 20 0 GHADHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1c[n-]c2ccccc2c1=O ZINC000053800555 886866527 /nfs/dbraw/zinc/86/65/27/886866527.db2.gz LXYSPBWTPZBIGU-UHFFFAOYSA-N -1 3 379.416 3.967 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000119303612 886893679 /nfs/dbraw/zinc/89/36/79/886893679.db2.gz IRMGLCVGOSUPQM-OTYXRUKQSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3Br)cc2[nH]1 ZINC000315846727 887081338 /nfs/dbraw/zinc/08/13/38/887081338.db2.gz AUOONYRVMWCZTP-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128113894 887147657 /nfs/dbraw/zinc/14/76/57/887147657.db2.gz MULJAAIMLAITNV-UHFFFAOYSA-N -1 3 385.330 3.569 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000128182799 887154531 /nfs/dbraw/zinc/15/45/31/887154531.db2.gz MVZVNYRAWSUUHV-KRWDZBQOSA-N -1 3 378.812 3.752 20 0 GHADHM [O-]c1cccc(CN2CCC[C@H](c3nnc4ccccn43)C2)c1Br ZINC000459315059 887258242 /nfs/dbraw/zinc/25/82/42/887258242.db2.gz WWOOGVJBKYXUBM-AWEZNQCLSA-N -1 3 387.281 3.577 20 0 GHADHM CN(Cc1cccc([O-])c1Br)Cc1ccccc1N1CCOCC1 ZINC000459310867 887269149 /nfs/dbraw/zinc/26/91/49/887269149.db2.gz RVRDIHGWWZHDNF-UHFFFAOYSA-N -1 3 391.309 3.623 20 0 GHADHM COC[C@@H](C)N(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1CCc2ccccc21 ZINC000863726020 887327603 /nfs/dbraw/zinc/32/76/03/887327603.db2.gz COJNMCMYZOIJSM-AUUYWEPGSA-N -1 3 377.444 3.500 20 0 GHADHM COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc(OC)c1[O-] ZINC000130351473 887422042 /nfs/dbraw/zinc/42/20/42/887422042.db2.gz ARUMPSVCOVCSGH-UHFFFAOYSA-N -1 3 396.443 3.769 20 0 GHADHM COc1cc(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cc(OC)c1[O-] ZINC000130639495 887459743 /nfs/dbraw/zinc/45/97/43/887459743.db2.gz WIDDZJPZTCKGQT-FQEVSTJZSA-N -1 3 378.428 3.632 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc2cc(Cl)ccc2s1 ZINC000644277195 913156901 /nfs/dbraw/zinc/15/69/01/913156901.db2.gz ZMNALYRADPDVLF-ZWNOBZJWSA-N -1 3 399.843 3.679 20 0 GHADHM CCC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCC1 ZINC000459361772 887651163 /nfs/dbraw/zinc/65/11/63/887651163.db2.gz WDWQUJXLSPYZBH-HNNXBMFYSA-N -1 3 383.514 3.547 20 0 GHADHM CC(C)c1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000794616938 887683235 /nfs/dbraw/zinc/68/32/35/887683235.db2.gz RJCDWZDJFHWGQL-UHFFFAOYSA-N -1 3 395.431 3.930 20 0 GHADHM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NCc1csc(C2CC2)n1 ZINC000864528164 887830084 /nfs/dbraw/zinc/83/00/84/887830084.db2.gz MGKRVOWRHLSKMT-AWEZNQCLSA-N -1 3 386.395 3.705 20 0 GHADHM CCOc1cc(/C=C2/C(=O)Nc3cc(F)c(C(=O)OC)cc32)cc(Cl)c1[O-] ZINC000794740848 887976761 /nfs/dbraw/zinc/97/67/61/887976761.db2.gz VJKPERFITFWTEY-NYYWCZLTSA-N -1 3 391.782 3.863 20 0 GHADHM O=C([N-]C[C@H]1CCCN(CCOc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000810072746 888126104 /nfs/dbraw/zinc/12/61/04/888126104.db2.gz VUXQUZOFCBIMTQ-LLVKDONJSA-N -1 3 399.240 3.763 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000763207590 888288776 /nfs/dbraw/zinc/28/87/76/888288776.db2.gz BMPHSXPUYJQWLI-ZDUSSCGKSA-N -1 3 383.395 3.548 20 0 GHADHM COc1ccc(CSCc2nc(C)cc(=O)[n-]2)c(Br)c1OC ZINC000763211163 888305992 /nfs/dbraw/zinc/30/59/92/888305992.db2.gz DIVAZTCSGSEDRL-UHFFFAOYSA-N -1 3 385.283 3.704 20 0 GHADHM O=c1[n-]c(CSc2nn(-c3ccccc3)c(=S)s2)nc2c1COCC2 ZINC000865345120 888307720 /nfs/dbraw/zinc/30/77/20/888307720.db2.gz NPIVWKHJILNNOU-UHFFFAOYSA-N -1 3 390.515 3.524 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)n1 ZINC000763216668 888334628 /nfs/dbraw/zinc/33/46/28/888334628.db2.gz PRMYLOZIXMFSBT-UHFFFAOYSA-N -1 3 377.485 3.690 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(OCc2ccccn2)c1 ZINC000056093069 888366774 /nfs/dbraw/zinc/36/67/74/888366774.db2.gz REMDTJZGDFQZAZ-INIZCTEOSA-N -1 3 399.450 3.993 20 0 GHADHM O=C(Cc1c(Cl)cc(C(F)(F)F)cc1Cl)[N-][C@H](CO)C(F)(F)F ZINC001184469461 913241583 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O=C(CCCc1ccc(Cl)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810897639 889006614 /nfs/dbraw/zinc/00/66/14/889006614.db2.gz LDHJHUMJGNOCKK-AWEZNQCLSA-N -1 3 390.833 3.580 20 0 GHADHM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810901156 889010558 /nfs/dbraw/zinc/01/05/58/889010558.db2.gz OSGVWVQFTGAEBZ-NVXWUHKLSA-N -1 3 398.469 3.906 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000916466068 889027741 /nfs/dbraw/zinc/02/77/41/889027741.db2.gz JYBMOEXWQUQMJV-GOSISDBHSA-N -1 3 394.479 3.591 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CC2CCC(C)(C)CC2)s1 ZINC001132539880 889040639 /nfs/dbraw/zinc/04/06/39/889040639.db2.gz PEVWMQWZWJTSNW-UHFFFAOYSA-N -1 3 387.571 3.765 20 0 GHADHM CC(=O)c1ccccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000154011742 889059976 /nfs/dbraw/zinc/05/99/76/889059976.db2.gz JDKLVIXGEDVLMS-KRWDZBQOSA-N -1 3 386.879 3.643 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000811015518 889071206 /nfs/dbraw/zinc/07/12/06/889071206.db2.gz PDZBNEBCTRJZNB-IBGZPJMESA-N -1 3 382.888 3.813 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nc(-c3cc(F)ccc3F)cs2)c2ccccc21 ZINC000016720094 889133869 /nfs/dbraw/zinc/13/38/69/889133869.db2.gz NTWXBLLNVNEHDH-RIYZIHGNSA-N -1 3 383.379 3.811 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000532932539 889314239 /nfs/dbraw/zinc/31/42/39/889314239.db2.gz XGUDEELNPQUXST-BXKDBHETSA-N -1 3 388.258 3.783 20 0 GHADHM COc1ccc(CN(C)C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811394344 889532834 /nfs/dbraw/zinc/53/28/34/889532834.db2.gz QFOKEBDFLIPXFL-UHFFFAOYSA-N -1 3 392.864 3.707 20 0 GHADHM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394582 889536065 /nfs/dbraw/zinc/53/60/65/889536065.db2.gz FVEQZNWBGIDYDK-SNVBAGLBSA-N -1 3 392.864 3.753 20 0 GHADHM Cc1ccccc1CCNC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394724 889537741 /nfs/dbraw/zinc/53/77/41/889537741.db2.gz YVWVUXFWDANXQB-UHFFFAOYSA-N -1 3 376.865 3.707 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)c([O-])c1 ZINC000124782082 889760000 /nfs/dbraw/zinc/76/00/00/889760000.db2.gz PMJCNFXEVKUTLM-UHFFFAOYSA-N -1 3 388.470 3.935 20 0 GHADHM CC[C@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533162629 889877146 /nfs/dbraw/zinc/87/71/46/889877146.db2.gz BUCNFWFSYAKJMU-XJKSGUPXSA-N -1 3 393.915 3.984 20 0 GHADHM CC(C)c1ccc(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000811712091 889891474 /nfs/dbraw/zinc/89/14/74/889891474.db2.gz HKNZQHJZANLKGP-ZDUSSCGKSA-N -1 3 387.471 3.897 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000122679729 890002615 /nfs/dbraw/zinc/00/26/15/890002615.db2.gz PEPNXLCSLDZOSG-UHFFFAOYSA-N -1 3 388.276 3.928 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2csc3ccccc23)C1)C(F)(F)F ZINC000811858171 890053344 /nfs/dbraw/zinc/05/33/44/890053344.db2.gz FXTZGAABKNPUGW-LBPRGKRZSA-N -1 3 399.438 3.501 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811880696 890082949 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COC(=O)c1ccc([O-])cc1NC(=O)Nc1ccc(Br)cc1C ZINC001184823523 913462264 /nfs/dbraw/zinc/46/22/64/913462264.db2.gz GWFGEMAYNINEFT-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM Cc1ccc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC000812351415 890554953 /nfs/dbraw/zinc/55/49/53/890554953.db2.gz LLDXSYJRMKEYQA-QGZVFWFLSA-N -1 3 388.508 3.810 20 0 GHADHM Cc1coc(-c2cccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2)n1 ZINC000126798428 890728379 /nfs/dbraw/zinc/72/83/79/890728379.db2.gz KZRWARUQGCWCLE-UHFFFAOYSA-N -1 3 376.409 3.610 20 0 GHADHM Cc1nc(C(=O)[N-]c2csc(Br)n2)sc1Br ZINC001184877948 913508128 /nfs/dbraw/zinc/50/81/28/913508128.db2.gz JAXCZBWFYRLDNT-UHFFFAOYSA-N -1 3 383.090 3.685 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2cccnc2Cl)cc1C ZINC001184878954 913509424 /nfs/dbraw/zinc/50/94/24/913509424.db2.gz UQGLTKKULWZIHL-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000127409054 891044717 /nfs/dbraw/zinc/04/47/17/891044717.db2.gz NDLQNZQWNLMNQG-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000127409054 891044719 /nfs/dbraw/zinc/04/47/19/891044719.db2.gz NDLQNZQWNLMNQG-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)s1 ZINC000066757017 891046676 /nfs/dbraw/zinc/04/66/76/891046676.db2.gz HSQCDCODYLYLMU-UHFFFAOYSA-N -1 3 388.474 3.809 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000872004318 891105702 /nfs/dbraw/zinc/10/57/02/891105702.db2.gz LEDLXICAUXKUAX-UHFFFAOYSA-N -1 3 394.241 3.669 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(C(F)(F)F)cc21)c1cccnc1Cl ZINC001184907655 913527606 /nfs/dbraw/zinc/52/76/06/913527606.db2.gz SHTYLJTZAONLKQ-GFCCVEGCSA-N -1 3 376.787 3.720 20 0 GHADHM CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1[O-] ZINC000127830025 891266408 /nfs/dbraw/zinc/26/64/08/891266408.db2.gz LQFCGDMUEMXTKZ-UHFFFAOYSA-N -1 3 386.757 3.775 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc(Cl)c2nonc21 ZINC001212017145 891345468 /nfs/dbraw/zinc/34/54/68/891345468.db2.gz ADAJIGYTGHEQEH-MGCOHNPYSA-N -1 3 398.271 3.754 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1cccc(Cl)c1 ZINC001212067617 891503165 /nfs/dbraw/zinc/50/31/65/891503165.db2.gz ULICGRRBEUPLAM-CYBMUJFWSA-N -1 3 375.824 3.593 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)nn2C(CC)CC)c1-c1nnn[n-]1 ZINC000825687579 891711606 /nfs/dbraw/zinc/71/16/06/891711606.db2.gz JNRHUBVGQRPIMB-UHFFFAOYSA-N -1 3 387.513 3.917 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)nn2C(CC)CC)c1-c1nn[n-]n1 ZINC000825687579 891711622 /nfs/dbraw/zinc/71/16/22/891711622.db2.gz JNRHUBVGQRPIMB-UHFFFAOYSA-N -1 3 387.513 3.917 20 0 GHADHM Cc1cc(Cl)cc(Br)c1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185049848 913600315 /nfs/dbraw/zinc/60/03/15/913600315.db2.gz GSTCQKIRBZLWGM-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM Cc1c(NC(=O)c2cc3sccc3c([O-])c2)cccc1N1C(=O)N[C@H](C)C1=O ZINC000813851199 892022236 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NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001137086132 892483636 /nfs/dbraw/zinc/48/36/36/892483636.db2.gz HNLUOJRSRODSFJ-UHFFFAOYSA-N -1 3 380.375 3.604 20 0 GHADHM O=C(NC1CC=CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000154514019 892517547 /nfs/dbraw/zinc/51/75/47/892517547.db2.gz CCGMGKSENQZWSZ-UHFFFAOYSA-N -1 3 394.855 3.728 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-])ccc21 ZINC000263318498 892520372 /nfs/dbraw/zinc/52/03/72/892520372.db2.gz JBSNBJHZGUSNFV-HUUCEWRRSA-N -1 3 381.476 3.794 20 0 GHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000263400698 892551301 /nfs/dbraw/zinc/55/13/01/892551301.db2.gz ZYWOXYHQRGGOPC-WCQYABFASA-N -1 3 379.254 3.647 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(F)c(Br)c1F ZINC001185135396 913691260 /nfs/dbraw/zinc/69/12/60/913691260.db2.gz QFOBELXKKKHNSS-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc([O-])c2Cl)cc1 ZINC000645143322 913702354 /nfs/dbraw/zinc/70/23/54/913702354.db2.gz JCXQUAILDTVHMN-CQSZACIVSA-N -1 3 396.940 3.927 20 0 GHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)cs1 ZINC000162686251 893069917 /nfs/dbraw/zinc/06/99/17/893069917.db2.gz GEQSJQZBSMOUAF-UHFFFAOYSA-N -1 3 399.906 3.576 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000129141949 893090613 /nfs/dbraw/zinc/09/06/13/893090613.db2.gz FUOCVIOOSQHRPD-UHFFFAOYSA-N -1 3 391.880 3.695 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(CO)C[C@H]3c3ccc(F)cc3)nc2)n1 ZINC000428681294 893185018 /nfs/dbraw/zinc/18/50/18/893185018.db2.gz NACCLUDEAPGLGP-AVRDEDQJSA-N -1 3 394.450 3.524 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000508774733 893298904 /nfs/dbraw/zinc/29/89/04/893298904.db2.gz RENCZFBZXHSJHK-LBPRGKRZSA-N -1 3 394.384 3.683 20 0 GHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000933987450 893340807 /nfs/dbraw/zinc/34/08/07/893340807.db2.gz PZJWXCGHXYLTMO-HIFRSBDPSA-N -1 3 382.410 3.900 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC000815050721 893366984 /nfs/dbraw/zinc/36/69/84/893366984.db2.gz DKVUVARZRKVUEZ-LURJTMIESA-N -1 3 385.820 3.558 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000129477878 893476563 /nfs/dbraw/zinc/47/65/63/893476563.db2.gz WZPODQVFLLPODP-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(Br)c1 ZINC000129485076 893490258 /nfs/dbraw/zinc/49/02/58/893490258.db2.gz SLZMPPUCQMAEIU-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccccc1 ZINC001134881792 893502923 /nfs/dbraw/zinc/50/29/23/893502923.db2.gz HKWJCOLCDRASAU-AWEZNQCLSA-N -1 3 398.203 3.571 20 0 GHADHM Cc1c([O-])ccc2c(CN3CC(C)(C)O[C@](C)(C(F)(F)F)C3)cc(=O)oc12 ZINC000815146880 893520015 /nfs/dbraw/zinc/52/00/15/893520015.db2.gz VHPQPDGOCZJUKW-SFHVURJKSA-N -1 3 385.382 3.739 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3sc4nccn4c3C)nc(=O)c2c1C ZINC000815228537 893584736 /nfs/dbraw/zinc/58/47/36/893584736.db2.gz NXIBGUWSKXDNKN-VIFPVBQESA-N -1 3 388.474 3.949 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1csc(-c2ccccn2)n1 ZINC000126588130 893682972 /nfs/dbraw/zinc/68/29/72/893682972.db2.gz KVZQGWZJDKZFKJ-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000154730049 893755027 /nfs/dbraw/zinc/75/50/27/893755027.db2.gz LNWSESDGGKINJG-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000877962860 893916798 /nfs/dbraw/zinc/91/67/98/893916798.db2.gz ADBSGIHEUAHUCW-UHFFFAOYSA-N -1 3 399.397 3.815 20 0 GHADHM CCc1cccc2c(C3CCN(Cc4nc5c(c(=O)[n-]4)COCC5)CC3)c[nH]c21 ZINC000877986548 893930574 /nfs/dbraw/zinc/93/05/74/893930574.db2.gz QBGAKMINEXMTBG-UHFFFAOYSA-N -1 3 392.503 3.678 20 0 GHADHM CC(C)(F)c1cc([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)no1 ZINC001135194996 894196630 /nfs/dbraw/zinc/19/66/30/894196630.db2.gz CJKUWTHRMHKHLT-UHFFFAOYSA-N -1 3 375.381 3.984 20 0 GHADHM Cc1ccc2[nH]c([C@H]3CCCN3Cc3nnc(-c4ccccc4[O-])o3)nc2c1 ZINC000878617585 894445050 /nfs/dbraw/zinc/44/50/50/894445050.db2.gz SEFBZEZBAABXAJ-QGZVFWFLSA-N -1 3 375.432 3.964 20 0 GHADHM Cc1ccoc1COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000816099900 894477234 /nfs/dbraw/zinc/47/72/34/894477234.db2.gz IJJMSNUSZHNQFR-UHFFFAOYSA-N -1 3 389.404 3.885 20 0 GHADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000537173926 894492379 /nfs/dbraw/zinc/49/23/79/894492379.db2.gz OYHTWSLTKJJQCV-FQEVSTJZSA-N -1 3 376.460 3.776 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000878701813 894522585 /nfs/dbraw/zinc/52/25/85/894522585.db2.gz WZDJSGHYKQODDR-HNNXBMFYSA-N -1 3 397.397 3.623 20 0 GHADHM O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)[N-]OCCC(F)(F)F ZINC000935502361 894553864 /nfs/dbraw/zinc/55/38/64/894553864.db2.gz UVENTFCJUSVOND-UHFFFAOYSA-N -1 3 394.393 3.673 20 0 GHADHM CCCCCc1nnc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)s1 ZINC000537208366 894559993 /nfs/dbraw/zinc/55/99/93/894559993.db2.gz GJAQUIYIWLSEDE-UHFFFAOYSA-N -1 3 390.440 3.512 20 0 GHADHM Cc1cc(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)co1 ZINC000816243799 894643826 /nfs/dbraw/zinc/64/38/26/894643826.db2.gz HFXOOVJHIFNBSB-UHFFFAOYSA-N -1 3 389.404 3.885 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC001135527323 894743898 /nfs/dbraw/zinc/74/38/98/894743898.db2.gz WNSNWKBHOCVVRB-UHFFFAOYSA-N -1 3 397.456 3.917 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OC[C@@H]1CC1(F)F ZINC000816416797 894794441 /nfs/dbraw/zinc/79/44/41/894794441.db2.gz BRESCBQARQPFAC-LBPRGKRZSA-N -1 3 399.390 3.747 20 0 GHADHM CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000816520710 894885138 /nfs/dbraw/zinc/88/51/38/894885138.db2.gz WFQJXHHDYIDZGO-UHFFFAOYSA-N -1 3 398.931 3.941 20 0 GHADHM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1nnc2ccccc2c1[O-] ZINC000816840868 895103343 /nfs/dbraw/zinc/10/33/43/895103343.db2.gz GTFLOWLCDQXAEV-UHFFFAOYSA-N -1 3 397.438 3.545 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC000816909800 895196686 /nfs/dbraw/zinc/19/66/86/895196686.db2.gz HCIXUMNIYQPGJL-STQMWFEESA-N -1 3 394.468 3.684 20 0 GHADHM O=C(N[C@H]1C[C@@H]1C1CCN(C(=O)c2ccccc2[O-])CC1)OCc1ccccc1 ZINC000816986375 895243199 /nfs/dbraw/zinc/24/31/99/895243199.db2.gz DSFXPLXQRUHYQO-UXHICEINSA-N -1 3 394.471 3.559 20 0 GHADHM CCOc1ccc(CCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC001135842269 895397006 /nfs/dbraw/zinc/39/70/06/895397006.db2.gz JKNHEHAFYBGLOI-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCOc1ccc(CCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC001135842269 895397020 /nfs/dbraw/zinc/39/70/20/895397020.db2.gz JKNHEHAFYBGLOI-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@H](C(F)(F)F)O1 ZINC000880056826 895483194 /nfs/dbraw/zinc/48/31/94/895483194.db2.gz LAKRAIZCCCUOQR-ZWNOBZJWSA-N -1 3 381.354 3.623 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnc(Cl)c(Br)c1C ZINC000817356166 895526683 /nfs/dbraw/zinc/52/66/83/895526683.db2.gz GNFKFVBKSBFAQX-SNVBAGLBSA-N -1 3 399.738 3.609 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)(C)C)coc1C(=O)N(C)C ZINC000645586616 913983179 /nfs/dbraw/zinc/98/31/79/913983179.db2.gz RYXOSKNEWAJEFR-GOSISDBHSA-N -1 3 392.521 3.664 20 0 GHADHM COC(=O)[C@H]1CCc2sc(NC(=O)c3cc4sccc4c([O-])c3)nc2C1 ZINC000817634807 895770745 /nfs/dbraw/zinc/77/07/45/895770745.db2.gz TXTYRYNCVJNFBG-VIFPVBQESA-N -1 3 388.470 3.594 20 0 GHADHM CCc1cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)ccc1C ZINC000778491022 895777047 /nfs/dbraw/zinc/77/70/47/895777047.db2.gz AATIIPKINPMMOK-UHFFFAOYSA-N -1 3 394.443 3.529 20 0 GHADHM CCCCCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001136023258 895900676 /nfs/dbraw/zinc/90/06/76/895900676.db2.gz WUZYFLBARBOSMP-AWEZNQCLSA-N -1 3 386.533 3.991 20 0 GHADHM Nc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000818000328 895985429 /nfs/dbraw/zinc/98/54/29/895985429.db2.gz OGKXCLJWXPOVID-QGZVFWFLSA-N -1 3 396.422 3.921 20 0 GHADHM CCN(Cc1ccccc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)=O ZINC001136191668 896432364 /nfs/dbraw/zinc/43/23/64/896432364.db2.gz WGTDBSMERDESIB-UHFFFAOYSA-N -1 3 397.862 3.802 20 0 GHADHM O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC001185784092 914081741 /nfs/dbraw/zinc/08/17/41/914081741.db2.gz ULHMHUNIYXBFDH-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC001185784092 914081760 /nfs/dbraw/zinc/08/17/60/914081760.db2.gz ULHMHUNIYXBFDH-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000882042358 896626758 /nfs/dbraw/zinc/62/67/58/896626758.db2.gz HCEMNFMLAXDXMH-FQEVSTJZSA-N -1 3 391.393 3.714 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CC(C)(C)OC3(C)C)[n-]c(=O)c12 ZINC000882110864 896665001 /nfs/dbraw/zinc/66/50/01/896665001.db2.gz UURZQRFXSQDDNU-LLVKDONJSA-N -1 3 391.493 3.511 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(C)cc1)SCc1nnc(-c2ccccc2[O-])o1 ZINC000882162500 896685867 /nfs/dbraw/zinc/68/58/67/896685867.db2.gz RWQSAQGHOOEZJX-QGZVFWFLSA-N -1 3 384.457 3.768 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826252839 896738315 /nfs/dbraw/zinc/73/83/15/896738315.db2.gz ULCQCDLXZNIOBQ-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826252839 896738320 /nfs/dbraw/zinc/73/83/20/896738320.db2.gz ULCQCDLXZNIOBQ-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826256918 896745517 /nfs/dbraw/zinc/74/55/17/896745517.db2.gz GKELAHURLVTQFO-GFCCVEGCSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826256918 896745527 /nfs/dbraw/zinc/74/55/27/896745527.db2.gz GKELAHURLVTQFO-GFCCVEGCSA-N -1 3 384.461 3.812 20 0 GHADHM CC(C)(C)Sc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccn1 ZINC000778565326 896771613 /nfs/dbraw/zinc/77/16/13/896771613.db2.gz RRAKVHOPPHFXHA-UHFFFAOYSA-N -1 3 379.507 3.596 20 0 GHADHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000567076873 896855116 /nfs/dbraw/zinc/85/51/16/896855116.db2.gz JFSUIZYSYCLNDS-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826281546 896865422 /nfs/dbraw/zinc/86/54/22/896865422.db2.gz YHOJOZLWUHXRGH-UHFFFAOYSA-N -1 3 396.882 3.631 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826281546 896865435 /nfs/dbraw/zinc/86/54/35/896865435.db2.gz YHOJOZLWUHXRGH-UHFFFAOYSA-N -1 3 396.882 3.631 20 0 GHADHM COc1cc(C)c([S@@](C)=O)cc1OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000819676592 896895753 /nfs/dbraw/zinc/89/57/53/896895753.db2.gz AECDAKQLCWOFLT-AREMUKBSSA-N -1 3 380.437 3.514 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000819701704 896918724 /nfs/dbraw/zinc/91/87/24/896918724.db2.gz VICSHFYUMSUMLM-UHFFFAOYSA-N -1 3 399.426 3.682 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)nc12 ZINC000826289057 896944033 /nfs/dbraw/zinc/94/40/33/896944033.db2.gz IOOMVQGTWFMTDX-UHFFFAOYSA-N -1 3 378.823 3.558 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)nc12 ZINC000826289057 896944039 /nfs/dbraw/zinc/94/40/39/896944039.db2.gz IOOMVQGTWFMTDX-UHFFFAOYSA-N -1 3 378.823 3.558 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(C)OCCc2sccc21 ZINC000567284593 897035296 /nfs/dbraw/zinc/03/52/96/897035296.db2.gz SGGAOQRWGJMJGH-GOSISDBHSA-N -1 3 395.477 3.708 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)c2ccccc21 ZINC001136296768 897137417 /nfs/dbraw/zinc/13/74/17/897137417.db2.gz UYQYEYNZGGSTFA-OAHLLOKOSA-N -1 3 388.471 3.613 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185824926 914132528 /nfs/dbraw/zinc/13/25/28/914132528.db2.gz ZWSIJUSNNBJKPS-UHFFFAOYSA-N -1 3 392.496 3.582 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CN[C@H](C)[C@@H](C)C(=O)[O-])cs1 ZINC000567619994 897297275 /nfs/dbraw/zinc/29/72/75/897297275.db2.gz LHRZKCHZHTWMSQ-NXEZZACHSA-N -1 3 399.310 3.780 20 0 GHADHM CC1(c2cccc(CNCc3cccc([O-])c3Br)c2)OCCO1 ZINC000883128762 897304733 /nfs/dbraw/zinc/30/47/33/897304733.db2.gz UUUMMCYNXUTLKW-UHFFFAOYSA-N -1 3 378.266 3.664 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820562978 897394922 /nfs/dbraw/zinc/39/49/22/897394922.db2.gz KTLOAMJEUSMJIU-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820562978 897394933 /nfs/dbraw/zinc/39/49/33/897394933.db2.gz KTLOAMJEUSMJIU-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820715300 897489272 /nfs/dbraw/zinc/48/92/72/897489272.db2.gz AINBKZXUAMTEQT-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000820715300 897489281 /nfs/dbraw/zinc/48/92/81/897489281.db2.gz AINBKZXUAMTEQT-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820715307 897489354 /nfs/dbraw/zinc/48/93/54/897489354.db2.gz AINBKZXUAMTEQT-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000820715307 897489366 /nfs/dbraw/zinc/48/93/66/897489366.db2.gz AINBKZXUAMTEQT-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CC[C@]4(C3)OCc3ccccc34)c2c1 ZINC000567979282 897520211 /nfs/dbraw/zinc/52/02/11/897520211.db2.gz GFSZQNVLJKZFIV-JOCHJYFZSA-N -1 3 376.412 3.577 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c(=O)[n-]1 ZINC000289395817 914170515 /nfs/dbraw/zinc/17/05/15/914170515.db2.gz PUFAHUAOJFFFNC-UHFFFAOYSA-N -1 3 391.874 3.963 20 0 GHADHM COC(=O)c1ccc(OC)c(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000883406513 897565700 /nfs/dbraw/zinc/56/57/00/897565700.db2.gz UBAFYFJOLPMWRL-UHFFFAOYSA-N -1 3 383.444 3.560 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1[O-] ZINC000568148383 897636419 /nfs/dbraw/zinc/63/64/19/897636419.db2.gz UNCXCHZRPJSPQN-BETUJISGSA-N -1 3 386.423 3.600 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)sc1C ZINC000826325263 897645963 /nfs/dbraw/zinc/64/59/63/897645963.db2.gz SIIMLMPKFLXSMQ-GFCCVEGCSA-N -1 3 389.916 3.681 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)sc1C ZINC000826325263 897645971 /nfs/dbraw/zinc/64/59/71/897645971.db2.gz SIIMLMPKFLXSMQ-GFCCVEGCSA-N -1 3 389.916 3.681 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000820982033 897653515 /nfs/dbraw/zinc/65/35/15/897653515.db2.gz YISKKJKCCPDAMS-UHFFFAOYSA-N -1 3 377.238 3.695 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820989650 897655911 /nfs/dbraw/zinc/65/59/11/897655911.db2.gz YAANHUQEXWOWES-KXBFYZLASA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820989650 897655923 /nfs/dbraw/zinc/65/59/23/897655923.db2.gz YAANHUQEXWOWES-KXBFYZLASA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820989110 897656370 /nfs/dbraw/zinc/65/63/70/897656370.db2.gz MCKVIMGROQCRSI-QGZVFWFLSA-N -1 3 387.447 3.648 20 0 GHADHM CC[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820989110 897656378 /nfs/dbraw/zinc/65/63/78/897656378.db2.gz MCKVIMGROQCRSI-QGZVFWFLSA-N -1 3 387.447 3.648 20 0 GHADHM Cc1ncccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826330062 897681406 /nfs/dbraw/zinc/68/14/06/897681406.db2.gz DFLBFSZMXSNUTR-AWEZNQCLSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ncccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826330062 897681410 /nfs/dbraw/zinc/68/14/10/897681410.db2.gz DFLBFSZMXSNUTR-AWEZNQCLSA-N -1 3 384.443 3.728 20 0 GHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(Cl)c(Br)c1 ZINC000568426960 897826066 /nfs/dbraw/zinc/82/60/66/897826066.db2.gz AMDUAEJXOVEDET-UHFFFAOYSA-N -1 3 392.624 3.722 20 0 GHADHM COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132774384 897904176 /nfs/dbraw/zinc/90/41/76/897904176.db2.gz RSUYIVOQLAFXMG-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM COc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CCC2)cc1 ZINC000821782692 898072454 /nfs/dbraw/zinc/07/24/54/898072454.db2.gz KXDILJGTJCVGOX-UHFFFAOYSA-N -1 3 383.839 3.589 20 0 GHADHM COc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CCC2)cc1 ZINC000821782692 898072468 /nfs/dbraw/zinc/07/24/68/898072468.db2.gz KXDILJGTJCVGOX-UHFFFAOYSA-N -1 3 383.839 3.589 20 0 GHADHM FC(F)(F)[C@H](NCCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367375 898162177 /nfs/dbraw/zinc/16/21/77/898162177.db2.gz XCNZZGRUVYDETA-OAHLLOKOSA-N -1 3 379.411 3.852 20 0 GHADHM FC(F)(F)[C@H](NCCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367375 898162185 /nfs/dbraw/zinc/16/21/85/898162185.db2.gz XCNZZGRUVYDETA-OAHLLOKOSA-N -1 3 379.411 3.852 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)C1CC1 ZINC000822205941 898253995 /nfs/dbraw/zinc/25/39/95/898253995.db2.gz ODWKNBAHXYTKHI-AWEZNQCLSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)C1CC1 ZINC000822205941 898254011 /nfs/dbraw/zinc/25/40/11/898254011.db2.gz ODWKNBAHXYTKHI-AWEZNQCLSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c(F)c1 ZINC000822227366 898259787 /nfs/dbraw/zinc/25/97/87/898259787.db2.gz GJCFTONIYGXMRD-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c(F)c1 ZINC000822227366 898259804 /nfs/dbraw/zinc/25/98/04/898259804.db2.gz GJCFTONIYGXMRD-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)[C@H](C)CO2)c1 ZINC000822232038 898261128 /nfs/dbraw/zinc/26/11/28/898261128.db2.gz RLXLMQLIIGBTIG-FOIQADDNSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)[C@H](C)CO2)c1 ZINC000822232038 898261147 /nfs/dbraw/zinc/26/11/47/898261147.db2.gz RLXLMQLIIGBTIG-FOIQADDNSA-N -1 3 381.455 3.585 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000569068513 898317927 /nfs/dbraw/zinc/31/79/27/898317927.db2.gz QGCMESMSCJWLRW-KBXCAEBGSA-N -1 3 376.451 3.599 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc([O-])c3Br)[C@@H]2C1 ZINC000822507520 898442614 /nfs/dbraw/zinc/44/26/14/898442614.db2.gz FOZPPPMGAGLTDM-TZMCWYRMSA-N -1 3 397.313 3.596 20 0 GHADHM Cc1csc(CCCCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)n1 ZINC001136590000 898445530 /nfs/dbraw/zinc/44/55/30/898445530.db2.gz FHOFOWXUUGWMRB-UHFFFAOYSA-N -1 3 375.881 3.699 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1F)[N-]c1ncc(Br)cc1F ZINC000800042813 898529668 /nfs/dbraw/zinc/52/96/68/898529668.db2.gz ZQKZODLTBOPTFM-WAYWQWQTSA-N -1 3 375.194 3.535 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000800081371 898570254 /nfs/dbraw/zinc/57/02/54/898570254.db2.gz IHPADMGGNCYODI-JKGDOXCYSA-N -1 3 391.464 3.799 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1ccc2ccccc2c1 ZINC000800107818 898607734 /nfs/dbraw/zinc/60/77/34/898607734.db2.gz VKFGCTNKPISAPP-CBUFDYBVSA-N -1 3 399.443 3.783 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2C(C)C)cc1OC ZINC000822909557 898713951 /nfs/dbraw/zinc/71/39/51/898713951.db2.gz FURSYCONZBRNID-UHFFFAOYSA-N -1 3 376.478 3.833 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000569611169 898826108 /nfs/dbraw/zinc/82/61/08/898826108.db2.gz DADDLADCPMYBSD-LJQANCHMSA-N -1 3 392.455 3.873 20 0 GHADHM Cc1c2ccccc2oc1[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(C)C ZINC000112187145 898855706 /nfs/dbraw/zinc/85/57/06/898855706.db2.gz AXQJMZKDTAYIKA-HXUWFJFHSA-N -1 3 381.476 3.887 20 0 GHADHM Cc1noc(C2(C)CCN(c3c(C(=O)[O-])cnc4c(C)cc(C)cc43)CC2)n1 ZINC000569813898 898966633 /nfs/dbraw/zinc/96/66/33/898966633.db2.gz OSAHWEXKTYZTJI-UHFFFAOYSA-N -1 3 380.448 3.799 20 0 GHADHM CCC(C)(C)C1CCC(NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000043863075 898994204 /nfs/dbraw/zinc/99/42/04/898994204.db2.gz ISZZNOSTVOLBKG-UHFFFAOYSA-N -1 3 376.457 3.534 20 0 GHADHM COc1ccc(Cl)cc1CCNC(=O)c1cc([O-])cc(Br)c1 ZINC001136768187 899217055 /nfs/dbraw/zinc/21/70/55/899217055.db2.gz SBAWHUMJQGJHIC-UHFFFAOYSA-N -1 3 384.657 3.789 20 0 GHADHM COC(=O)c1ccccc1NC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001202681286 899247555 /nfs/dbraw/zinc/24/75/55/899247555.db2.gz FILJCFQOKYJZBJ-UHFFFAOYSA-N -1 3 386.404 3.778 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332140559 899430036 /nfs/dbraw/zinc/43/00/36/899430036.db2.gz JDFLZCUWBHVIBT-ISVAXAHUSA-N -1 3 383.673 3.862 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1C(F)(F)F ZINC000824154238 899430876 /nfs/dbraw/zinc/43/08/76/899430876.db2.gz KICPVDDVGCCUNT-PKNBQFBNSA-N -1 3 379.382 3.964 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC001136836625 899453176 /nfs/dbraw/zinc/45/31/76/899453176.db2.gz IHXWMVZVKSJJOZ-NRFANRHFSA-N -1 3 389.451 3.670 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC001186185599 914349032 /nfs/dbraw/zinc/34/90/32/914349032.db2.gz CJPKXPAWIWMNMA-HYVNUMGLSA-N -1 3 399.528 3.989 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOc1cc(C)ccc1C)CC2 ZINC000570688989 899507940 /nfs/dbraw/zinc/50/79/40/899507940.db2.gz GCHUOVOYAFYPDJ-IBGZPJMESA-N -1 3 399.487 3.774 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000824347517 899545385 /nfs/dbraw/zinc/54/53/85/899545385.db2.gz BXUFXTOSNSRBAB-SFHVURJKSA-N -1 3 378.480 3.696 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000824347517 899545394 /nfs/dbraw/zinc/54/53/94/899545394.db2.gz BXUFXTOSNSRBAB-SFHVURJKSA-N -1 3 378.480 3.696 20 0 GHADHM CC(C)c1nnc(CN[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000824364543 899557585 /nfs/dbraw/zinc/55/75/85/899557585.db2.gz KXQLEZNCZVYVOQ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1nnc(CN[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000824364543 899557596 /nfs/dbraw/zinc/55/75/96/899557596.db2.gz KXQLEZNCZVYVOQ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c(=O)[n-]1 ZINC000570796724 899598982 /nfs/dbraw/zinc/59/89/82/899598982.db2.gz KTJKUSWPIHBBSG-KRWDZBQOSA-N -1 3 399.882 3.625 20 0 GHADHM CC(C)C1CN(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824489443 899632278 /nfs/dbraw/zinc/63/22/78/899632278.db2.gz KRJQZFQEPPMYNE-OAHLLOKOSA-N -1 3 390.491 3.892 20 0 GHADHM CC(C)C1CN(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824489443 899632282 /nfs/dbraw/zinc/63/22/82/899632282.db2.gz KRJQZFQEPPMYNE-OAHLLOKOSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487708 899632455 /nfs/dbraw/zinc/63/24/55/899632455.db2.gz BZODJLLCAUFTOW-LSDHHAIUSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487708 899632458 /nfs/dbraw/zinc/63/24/58/899632458.db2.gz BZODJLLCAUFTOW-LSDHHAIUSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470429 899649817 /nfs/dbraw/zinc/64/98/17/899649817.db2.gz IDHNDDBZNCQROL-JKSUJKDBSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470429 899649821 /nfs/dbraw/zinc/64/98/21/899649821.db2.gz IDHNDDBZNCQROL-JKSUJKDBSA-N -1 3 398.470 3.910 20 0 GHADHM COc1ccc(-c2cnc(NC(=O)CCCc3ccc([O-])c(F)c3)n2C)cc1 ZINC000570881567 899663444 /nfs/dbraw/zinc/66/34/44/899663444.db2.gz MUWGDWWZVDZHQH-UHFFFAOYSA-N -1 3 383.423 3.902 20 0 GHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1OC(F)F ZINC000824607196 899717365 /nfs/dbraw/zinc/71/73/65/899717365.db2.gz VWHOLVZJDSFXAX-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707365 899777990 /nfs/dbraw/zinc/77/79/90/899777990.db2.gz RCSWAKRUUMRCBC-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707365 899777997 /nfs/dbraw/zinc/77/79/97/899777997.db2.gz RCSWAKRUUMRCBC-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824714909 899783404 /nfs/dbraw/zinc/78/34/04/899783404.db2.gz PCAWBTFXRJSINP-CQSZACIVSA-N -1 3 390.443 3.623 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824714909 899783413 /nfs/dbraw/zinc/78/34/13/899783413.db2.gz PCAWBTFXRJSINP-CQSZACIVSA-N -1 3 390.443 3.623 20 0 GHADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824764506 899792996 /nfs/dbraw/zinc/79/29/96/899792996.db2.gz WRPNLBLABJSKAT-KPZWWZAWSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824764506 899793002 /nfs/dbraw/zinc/79/30/02/899793002.db2.gz WRPNLBLABJSKAT-KPZWWZAWSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824770109 899796352 /nfs/dbraw/zinc/79/63/52/899796352.db2.gz DZYSOYYHMLWELZ-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824770109 899796362 /nfs/dbraw/zinc/79/63/62/899796362.db2.gz DZYSOYYHMLWELZ-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnc(Cl)c(N)c3)nc(=O)c2c1C ZINC000774987996 914380695 /nfs/dbraw/zinc/38/06/95/914380695.db2.gz FXAMPHXEEOELMQ-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868194 899876980 /nfs/dbraw/zinc/87/69/80/899876980.db2.gz TWNMAUHOHFQFQG-YJYMSZOUSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868194 899876982 /nfs/dbraw/zinc/87/69/82/899876982.db2.gz TWNMAUHOHFQFQG-YJYMSZOUSA-N -1 3 392.415 3.570 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000121000108 899930835 /nfs/dbraw/zinc/93/08/35/899930835.db2.gz NCLROWXQMAXXTD-UHFFFAOYSA-N -1 3 376.453 3.677 20 0 GHADHM O=S(=O)([N-]c1c(Cl)ccc2ncccc21)c1ccc2nsnc2c1 ZINC001186262899 914398014 /nfs/dbraw/zinc/39/80/14/914398014.db2.gz HCQXPTHVDIDLFZ-UHFFFAOYSA-N -1 3 376.850 3.694 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825333244 900099730 /nfs/dbraw/zinc/09/97/30/900099730.db2.gz TVYXKHVUQADIQM-UONOGXRCSA-N -1 3 382.493 3.801 20 0 GHADHM CCn1ccc(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1C ZINC000825369390 900130427 /nfs/dbraw/zinc/13/04/27/900130427.db2.gz VUCVVJLOLMISEO-CQSZACIVSA-N -1 3 393.409 3.629 20 0 GHADHM CCN(C(=O)c1ccc(C)nc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381083 900134939 /nfs/dbraw/zinc/13/49/39/900134939.db2.gz ZFHQHYUSHKTCMO-UHFFFAOYSA-N -1 3 377.235 3.544 20 0 GHADHM CCN(C(=O)c1ccc(C)nc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381083 900134946 /nfs/dbraw/zinc/13/49/46/900134946.db2.gz ZFHQHYUSHKTCMO-UHFFFAOYSA-N -1 3 377.235 3.544 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1[O-] ZINC000572349472 900155316 /nfs/dbraw/zinc/15/53/16/900155316.db2.gz UDMPSVWNGKIWQQ-UHFFFAOYSA-N -1 3 382.460 3.651 20 0 GHADHM CCc1nccn1[C@@H](C)CC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000843904224 900318640 /nfs/dbraw/zinc/31/86/40/900318640.db2.gz LQAARBPKJXKDMW-ZDUSSCGKSA-N -1 3 396.413 3.522 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000885222802 900430798 /nfs/dbraw/zinc/43/07/98/900430798.db2.gz MHFAUEPGEJTVMU-DNVCBOLYSA-N -1 3 395.459 3.592 20 0 GHADHM Cc1ccc(CO[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000626196333 900586500 /nfs/dbraw/zinc/58/65/00/900586500.db2.gz CWAYPBQVQKTHSI-ZDUSSCGKSA-N -1 3 378.266 3.685 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001143867789 900640978 /nfs/dbraw/zinc/64/09/78/900640978.db2.gz MLOSZENARWJPRD-UHFFFAOYSA-N -1 3 399.373 3.742 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001143867789 900640986 /nfs/dbraw/zinc/64/09/86/900640986.db2.gz MLOSZENARWJPRD-UHFFFAOYSA-N -1 3 399.373 3.742 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC001186314363 914466200 /nfs/dbraw/zinc/46/62/00/914466200.db2.gz STMVSNUOVLRJOK-OAHLLOKOSA-N -1 3 380.514 3.574 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457150 900650366 /nfs/dbraw/zinc/65/03/66/900650366.db2.gz NTHUIRVIRRAZDC-UHFFFAOYSA-N -1 3 384.321 3.531 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457150 900650374 /nfs/dbraw/zinc/65/03/74/900650374.db2.gz NTHUIRVIRRAZDC-UHFFFAOYSA-N -1 3 384.321 3.531 20 0 GHADHM O=C(C[C@@H]1CCC(=O)NC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000575764180 901282591 /nfs/dbraw/zinc/28/25/91/901282591.db2.gz VSTRKQVPMZRKLE-LBPRGKRZSA-N -1 3 381.457 3.524 20 0 GHADHM c1ccn2c(c1)nc(N1Cc3ccccc3-c3ccccc3C1)c2-c1nnn[n-]1 ZINC000826523387 901388635 /nfs/dbraw/zinc/38/86/35/901388635.db2.gz LAFGPFUNQKXZSL-UHFFFAOYSA-N -1 3 379.427 3.702 20 0 GHADHM c1ccn2c(c1)nc(N1Cc3ccccc3-c3ccccc3C1)c2-c1nn[n-]n1 ZINC000826523387 901388648 /nfs/dbraw/zinc/38/86/48/901388648.db2.gz LAFGPFUNQKXZSL-UHFFFAOYSA-N -1 3 379.427 3.702 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)CCc2ccccc2)c1 ZINC001186461307 914589080 /nfs/dbraw/zinc/58/90/80/914589080.db2.gz NEOFSIINGIGJND-UHFFFAOYSA-N -1 3 393.480 3.692 20 0 GHADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000576586094 902109799 /nfs/dbraw/zinc/10/97/99/902109799.db2.gz NAKXHTZFXOZOKM-CABCVRRESA-N -1 3 394.443 3.637 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCCCCc2ccccc2)c1 ZINC001186507880 914598600 /nfs/dbraw/zinc/59/86/00/914598600.db2.gz JVIHMZSGTRHBIU-UHFFFAOYSA-N -1 3 393.480 3.612 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001144519557 902297012 /nfs/dbraw/zinc/29/70/12/902297012.db2.gz QIOIOKBWSAPWET-UHFFFAOYSA-N -1 3 387.848 3.847 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144561651 902378071 /nfs/dbraw/zinc/37/80/71/902378071.db2.gz KQBGEVWFYGQNRZ-WOJBJXKFSA-N -1 3 375.415 3.982 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000845834312 902444585 /nfs/dbraw/zinc/44/45/85/902444585.db2.gz OFBSAXYHOLWDPR-UHFFFAOYSA-N -1 3 388.439 3.529 20 0 GHADHM O=C(c1ccco1)N1CCCC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144651548 902559251 /nfs/dbraw/zinc/55/92/51/902559251.db2.gz VPDJURHLCDJUMP-UHFFFAOYSA-N -1 3 376.403 3.534 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144654435 902566708 /nfs/dbraw/zinc/56/67/08/902566708.db2.gz LDUNSMGZHQQDOU-JOCHJYFZSA-N -1 3 384.426 3.571 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)c2cc(C)ccc21 ZINC001144655044 902567072 /nfs/dbraw/zinc/56/70/72/902567072.db2.gz WZXRAWHTAXOKCU-UHFFFAOYSA-N -1 3 386.442 3.879 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)c1[O-] ZINC000846153753 902723987 /nfs/dbraw/zinc/72/39/87/902723987.db2.gz HYZNLHMFTHDGMM-UHFFFAOYSA-N -1 3 398.459 3.914 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1cncc(Cl)c1 ZINC000577381880 902726699 /nfs/dbraw/zinc/72/66/99/902726699.db2.gz QHGBGFJEEMVLTJ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000577399366 902740122 /nfs/dbraw/zinc/74/01/22/902740122.db2.gz JAWHCUZKUXCVCR-CABCVRRESA-N -1 3 392.459 3.683 20 0 GHADHM CC(C)c1ccc(-c2nc(CN3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)cs2)cc1 ZINC000846283721 902845504 /nfs/dbraw/zinc/84/55/04/902845504.db2.gz XPBSPVOOSHREOY-LAUBAEHRSA-N -1 3 386.517 3.857 20 0 GHADHM CCOc1ccc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1 ZINC000048165713 903003331 /nfs/dbraw/zinc/00/33/31/903003331.db2.gz XKSBLOWOLUEACG-UHFFFAOYSA-N -1 3 397.656 3.576 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC001144887473 903113050 /nfs/dbraw/zinc/11/30/50/903113050.db2.gz DNZZIVXPQCDYAC-AWEZNQCLSA-N -1 3 398.297 3.881 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ccc(F)c([O-])c2)[C@@H]2C[C@H]1CC2(F)F ZINC001146465758 903538260 /nfs/dbraw/zinc/53/82/60/903538260.db2.gz IGRDACHWQTUUCK-COPLHBTASA-N -1 3 386.370 3.503 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000578156342 903572457 /nfs/dbraw/zinc/57/24/57/903572457.db2.gz QGJWCQRIOCXXRR-KBXCAEBGSA-N -1 3 387.277 3.551 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001146695423 903586932 /nfs/dbraw/zinc/58/69/32/903586932.db2.gz RNFAZLLKMZNAFL-IBGZPJMESA-N -1 3 398.409 3.704 20 0 GHADHM O=c1cc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nc(C2CC2)[n-]1 ZINC000578326630 903737112 /nfs/dbraw/zinc/73/71/12/903737112.db2.gz VXJKQNUAZJLYOP-UHFFFAOYSA-N -1 3 386.502 3.941 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000578341846 903747233 /nfs/dbraw/zinc/74/72/33/903747233.db2.gz PCFCDUNCGNVSRT-UHFFFAOYSA-N -1 3 378.382 3.946 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C)N3CCc4ccccc4C3)c12 ZINC000578364733 903769810 /nfs/dbraw/zinc/76/98/10/903769810.db2.gz GGAJLHLPUAAQQQ-GFCCVEGCSA-N -1 3 396.516 3.865 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646661833 914757819 /nfs/dbraw/zinc/75/78/19/914757819.db2.gz JBUNJSBFIUJMEU-UHFFFAOYSA-N -1 3 380.366 3.808 20 0 GHADHM O=C([N-]c1nc(CN2CCCCC2)cs1)c1scnc1C(F)(F)F ZINC000578629489 904017870 /nfs/dbraw/zinc/01/78/70/904017870.db2.gz XJZDMUZKDBRWGK-UHFFFAOYSA-N -1 3 376.429 3.857 20 0 GHADHM CC(=O)c1cc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)ccc1[O-] ZINC001148661907 904162535 /nfs/dbraw/zinc/16/25/35/904162535.db2.gz FVSOCZCGYLZMHB-LLVKDONJSA-N -1 3 388.261 3.944 20 0 GHADHM O=C(Nc1ccc(Oc2cccnn2)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001148870784 904236760 /nfs/dbraw/zinc/23/67/60/904236760.db2.gz ASIKGEYTYCTDMT-UHFFFAOYSA-N -1 3 394.337 3.641 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCc1ccco1 ZINC001148904028 904243593 /nfs/dbraw/zinc/24/35/93/904243593.db2.gz OXEZHIJBAYAEKL-OAQYLSRUSA-N -1 3 392.455 3.595 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186793502 914810937 /nfs/dbraw/zinc/81/09/37/914810937.db2.gz UIHKRXFQBWVVFI-SNVBAGLBSA-N -1 3 397.724 3.858 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](COc2ccccc2F)C(C)(C)C)s1 ZINC001186799241 914812896 /nfs/dbraw/zinc/81/28/96/914812896.db2.gz DEZZMYINDOYEMG-AWEZNQCLSA-N -1 3 386.514 3.617 20 0 GHADHM O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)[N-]OC[C@@H]1CCOC1 ZINC000187968746 904856925 /nfs/dbraw/zinc/85/69/25/904856925.db2.gz WBJILQXRZUHCGT-OAHLLOKOSA-N -1 3 382.435 3.991 20 0 GHADHM C=CC[C@@H](C(=O)N[N-]C(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000188457094 904924689 /nfs/dbraw/zinc/92/46/89/904924689.db2.gz JBJFDFMKUAGCMU-CQSZACIVSA-N -1 3 391.240 3.709 20 0 GHADHM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646804350 914859194 /nfs/dbraw/zinc/85/91/94/914859194.db2.gz CUAOPPZTEPZNMW-GFCCVEGCSA-N -1 3 382.386 3.603 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290911420 914867860 /nfs/dbraw/zinc/86/78/60/914867860.db2.gz PGSMGIJHLYDLCU-UHFFFAOYSA-N -1 3 380.872 3.733 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001171811100 905070848 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Cc1cc(=O)[n-]c(C(C)(C)NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000628374836 906078801 /nfs/dbraw/zinc/07/88/01/906078801.db2.gz GEVBZCYSZABTFB-UHFFFAOYSA-N -1 3 391.397 3.720 20 0 GHADHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000901527308 921204719 /nfs/dbraw/zinc/20/47/19/921204719.db2.gz YLXZQOHXCDLWNQ-FZKQIMNGSA-N -1 3 390.281 3.526 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629010348 906439573 /nfs/dbraw/zinc/43/95/73/906439573.db2.gz HBBISICNFIPCPJ-UHFFFAOYSA-N -1 3 375.856 3.791 20 0 GHADHM C/C=C/CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000629043503 906459579 /nfs/dbraw/zinc/45/95/79/906459579.db2.gz JWMRJKYQPXDRTE-GQCTYLIASA-N -1 3 388.489 3.500 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000179470588 906508671 /nfs/dbraw/zinc/50/86/71/906508671.db2.gz JTTPJDLRPZTTOU-UHFFFAOYSA-N -1 3 379.460 3.790 20 0 GHADHM Cn1ncc2c1nc(SCCCc1ccccc1Br)[n-]c2=O ZINC000629220117 906600140 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GHADHM Brc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(Br)n1 ZINC001175426023 907546759 /nfs/dbraw/zinc/54/67/59/907546759.db2.gz ZPNLHPKYBFZCEP-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM FC(F)(F)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Br)n1 ZINC001175428135 907548390 /nfs/dbraw/zinc/54/83/90/907548390.db2.gz IACDXAJKWZHHCT-UHFFFAOYSA-N -1 3 385.147 3.787 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431823 907550705 /nfs/dbraw/zinc/55/07/05/907550705.db2.gz OQOQXCCHQRIDEO-UHFFFAOYSA-N -1 3 380.452 3.678 20 0 GHADHM Cc1nc(CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)sc1C ZINC001175485725 907571606 /nfs/dbraw/zinc/57/16/06/907571606.db2.gz PVCRMHRLHNTCNE-ZDUSSCGKSA-N -1 3 383.439 3.932 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000184923342 907680472 /nfs/dbraw/zinc/68/04/72/907680472.db2.gz VSTKEDOBLINZES-RDTXWAMCSA-N -1 3 383.448 3.736 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)n1 ZINC000192615786 907786800 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CCc1cc(=O)[n-]c(CN2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)n1 ZINC001177027379 908369031 /nfs/dbraw/zinc/36/90/31/908369031.db2.gz JIFQYCHFAHGDPM-UHFFFAOYSA-N -1 3 384.480 3.650 20 0 GHADHM COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)no1 ZINC000190190025 908447789 /nfs/dbraw/zinc/44/77/89/908447789.db2.gz HCZWGPYLIZRKEM-UHFFFAOYSA-N -1 3 393.443 3.779 20 0 GHADHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687937 908710362 /nfs/dbraw/zinc/71/03/62/908710362.db2.gz PQSBOCUTVRBTAM-SECBINFHSA-N -1 3 394.378 3.858 20 0 GHADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687937 908710370 /nfs/dbraw/zinc/71/03/70/908710370.db2.gz PQSBOCUTVRBTAM-SECBINFHSA-N -1 3 394.378 3.858 20 0 GHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001177755105 908738060 /nfs/dbraw/zinc/73/80/60/908738060.db2.gz WMSXMFOYMKHWLD-MRXNPFEDSA-N -1 3 394.487 3.712 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000299555332 921442256 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CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncccc2[O-])[C@H](c2ccccc2)C1 ZINC001179382556 909514722 /nfs/dbraw/zinc/51/47/22/909514722.db2.gz IQZKZDIITPFCBE-IRXDYDNUSA-N -1 3 397.475 3.767 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319228 909535831 /nfs/dbraw/zinc/53/58/31/909535831.db2.gz NMCPDJKJMFXVBP-CQSZACIVSA-N -1 3 383.492 3.831 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)cc1Cl ZINC000636318599 909537839 /nfs/dbraw/zinc/53/78/39/909537839.db2.gz AAGIYVTWBDLEMZ-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1C(F)(F)F ZINC000636318768 909537943 /nfs/dbraw/zinc/53/79/43/909537943.db2.gz BVNVAXRZDKUDNW-LLVKDONJSA-N -1 3 379.382 3.888 20 0 GHADHM O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319418 909539394 /nfs/dbraw/zinc/53/93/94/909539394.db2.gz QSSBIHNJNAXAOM-UHFFFAOYSA-N -1 3 395.381 3.597 20 0 GHADHM Cc1ccc2cc(Cl)cc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)c2n1 ZINC000636323013 909543840 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O=C(CSc1ccc2c3c(cccc31)CC2)Nc1nnc(C(F)(F)F)[n-]1 ZINC000642085082 911732043 /nfs/dbraw/zinc/73/20/43/911732043.db2.gz QGGZQZZGBULEKG-UHFFFAOYSA-N -1 3 378.379 3.806 20 0 GHADHM O=C(CSc1ccc2c3c(cccc31)CC2)Nc1nc(C(F)(F)F)n[n-]1 ZINC000642085082 911732053 /nfs/dbraw/zinc/73/20/53/911732053.db2.gz QGGZQZZGBULEKG-UHFFFAOYSA-N -1 3 378.379 3.806 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C23CCC(CO)(CC2)CC3)c([O-])c1 ZINC001182707694 911990527 /nfs/dbraw/zinc/99/05/27/911990527.db2.gz KPCCKRNOCPLQGZ-UHFFFAOYSA-N -1 3 375.465 3.619 20 0 GHADHM COc1ccc(CCCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC001182930517 912161822 /nfs/dbraw/zinc/16/18/22/912161822.db2.gz DTEYULMHPWNLRR-UHFFFAOYSA-N -1 3 384.436 3.742 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C ZINC001182994081 912181397 /nfs/dbraw/zinc/18/13/97/912181397.db2.gz PJZPPOPBDHNYLZ-GOSISDBHSA-N -1 3 375.396 3.705 20 0 GHADHM CC(C)(NC(=O)c1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC001187006661 914935807 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20 0 GHADHM O=C([O-])c1cnc(C2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)s1 ZINC000901930711 921741630 /nfs/dbraw/zinc/74/16/30/921741630.db2.gz JCOVIJLXQQXKGX-UHFFFAOYSA-N -1 3 396.472 3.803 20 0 GHADHM COc1cccc(-c2n[nH]cc2CN2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000901933194 921745760 /nfs/dbraw/zinc/74/57/60/921745760.db2.gz ZMTGRIXOPWHWFK-UHFFFAOYSA-N -1 3 398.488 3.620 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC001187463706 915274293 /nfs/dbraw/zinc/27/42/93/915274293.db2.gz HPVRPLYRTCBROX-UHFFFAOYSA-N -1 3 387.379 3.856 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2Cl)cc1 ZINC001187431984 915287410 /nfs/dbraw/zinc/28/74/10/915287410.db2.gz WNSIFRDWRLKKHW-UHFFFAOYSA-N -1 3 386.832 3.626 20 0 GHADHM COc1ccc(C=C(C)C(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC1CCCC1 ZINC001187568252 915367838 /nfs/dbraw/zinc/36/78/38/915367838.db2.gz OPLPKFZYFDEJOU-WYMLVPIESA-N -1 3 399.491 3.516 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1nc(-c2cccc(F)c2)no1 ZINC001187633858 915401493 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O=S(=O)([N-]CC1(CC2CCC2)CCOCC1)c1ccc(Cl)nc1Cl ZINC001187987700 915667273 /nfs/dbraw/zinc/66/72/73/915667273.db2.gz HVWHZEFVQZHHKJ-UHFFFAOYSA-N -1 3 393.336 3.654 20 0 GHADHM CCOc1ccc(C[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648431195 915697365 /nfs/dbraw/zinc/69/73/65/915697365.db2.gz LXNVCWXBKZVZIT-LLVKDONJSA-N -1 3 389.805 3.737 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2cc(F)ccc21)c1cnc(Cl)c(Cl)c1 ZINC001188097325 915754719 /nfs/dbraw/zinc/75/47/19/915754719.db2.gz HZUJPTZKHQDGQX-AWEZNQCLSA-N -1 3 375.252 3.883 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188208343 915831482 /nfs/dbraw/zinc/83/14/82/915831482.db2.gz HJRBCZIQSWZUCH-UHFFFAOYSA-N -1 3 378.750 3.610 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188267520 915864090 /nfs/dbraw/zinc/86/40/90/915864090.db2.gz MXLFIVXMKCTTGO-QMMMGPOBSA-N -1 3 392.777 3.858 20 0 GHADHM CC(=O)c1ccc(CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001188318944 915885354 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GHADHM C[C@@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC=CCC1 ZINC000649194356 916054714 /nfs/dbraw/zinc/05/47/14/916054714.db2.gz DKCHPRTYPXPCAX-HXUWFJFHSA-N -1 3 376.884 3.969 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccc3oc4ccccc4c3c1)C(=O)N2 ZINC001188826672 916233675 /nfs/dbraw/zinc/23/36/75/916233675.db2.gz FASBMAPPMWEAJR-HXUWFJFHSA-N -1 3 392.436 3.866 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC001188856631 916260096 /nfs/dbraw/zinc/26/00/96/916260096.db2.gz AHCDXFFRRMVALY-ZIAGYGMSSA-N -1 3 386.926 3.699 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)c1 ZINC001189191382 916450480 /nfs/dbraw/zinc/45/04/80/916450480.db2.gz GYYJHABVLBQTHR-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2F)c1 ZINC001189233083 916482473 /nfs/dbraw/zinc/48/24/73/916482473.db2.gz YQCBUPKJGYSSEW-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cncc(OCc2ccccc2)c1 ZINC001189277540 916532660 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Cc1nc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)c(-c2ccccc2)s1 ZINC001189515317 916696101 /nfs/dbraw/zinc/69/61/01/916696101.db2.gz KCOKSLZWXDESRB-IAGOWNOFSA-N -1 3 394.562 3.991 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1cc(C)cc(C)c1 ZINC001189532189 916727338 /nfs/dbraw/zinc/72/73/38/916727338.db2.gz MFESKEUWLGSODG-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)c1 ZINC001189602539 916738707 /nfs/dbraw/zinc/73/87/07/916738707.db2.gz BGOHUOCWNISDKW-AWEZNQCLSA-N -1 3 396.921 3.578 20 0 GHADHM O=C(NCc1ccc(-c2ncccn2)cc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189774918 916909746 /nfs/dbraw/zinc/90/97/46/916909746.db2.gz JMNMJYGYCVEQFN-UHFFFAOYSA-N -1 3 389.333 3.678 20 0 GHADHM COc1cnccc1[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001189775253 916909984 /nfs/dbraw/zinc/90/99/84/916909984.db2.gz XPIHWJMGWMBSBH-HNNXBMFYSA-N -1 3 382.338 3.576 20 0 GHADHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)CCCC2 ZINC000650483430 917007600 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3.674 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(F)cc1Cl ZINC001190506827 917371667 /nfs/dbraw/zinc/37/16/67/917371667.db2.gz MWGUZSMRVGAKSX-UHFFFAOYSA-N -1 3 383.828 3.944 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)C(C)C ZINC001190592959 917435742 /nfs/dbraw/zinc/43/57/42/917435742.db2.gz JBGDJZNNCSXISB-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651264955 917557772 /nfs/dbraw/zinc/55/77/72/917557772.db2.gz VCXQOCVKAPFDGL-QWHCGFSZSA-N -1 3 390.427 3.842 20 0 GHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001190910670 917660196 /nfs/dbraw/zinc/66/01/96/917660196.db2.gz UWNUUPWUPBMWTF-LBPRGKRZSA-N -1 3 384.785 3.920 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(F)cc3Br)c[nH]c-2c1 ZINC001191336203 917912508 /nfs/dbraw/zinc/91/25/08/917912508.db2.gz IJFPQFORUOLRQE-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515081 917918179 /nfs/dbraw/zinc/91/81/79/917918179.db2.gz NZAQRPRYHHYGDV-NZVBXONLSA-N -1 3 395.381 3.859 20 0 GHADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001191476580 918012285 /nfs/dbraw/zinc/01/22/85/918012285.db2.gz RZILVAIKJRQXSH-QZXCRCNTSA-N -1 3 381.501 3.780 20 0 GHADHM Cn1c(Br)ccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001191613684 918100106 /nfs/dbraw/zinc/10/01/06/918100106.db2.gz XFVNBBAYDULFQO-UHFFFAOYSA-N -1 3 395.253 3.701 20 0 GHADHM O=C([N-]c1ccnc(Cl)c1OC(F)(F)F)c1cnc(Br)o1 ZINC001191713331 918135404 /nfs/dbraw/zinc/13/54/04/918135404.db2.gz HEQMEVDJTBAKLS-UHFFFAOYSA-N -1 3 386.511 3.636 20 0 GHADHM COc1cccc2c1OC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191776714 918180193 /nfs/dbraw/zinc/18/01/93/918180193.db2.gz KSCWIFKSTNEIEL-GFCCVEGCSA-N -1 3 388.272 3.722 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cncc(-c2cccs2)c1 ZINC001191813255 918208457 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CC(C)N(C)C(=O)C1CCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC000901424586 921092789 /nfs/dbraw/zinc/09/27/89/921092789.db2.gz PEJFQOHBVNXMJN-UHFFFAOYSA-N -1 3 384.476 3.724 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000902548371 922271449 /nfs/dbraw/zinc/27/14/49/922271449.db2.gz OLAFTWLJHCGOOL-GNISGLHKSA-N -1 3 382.460 3.504 20 0 GHADHM C[C@@H]1C[C@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000902918801 922604021 /nfs/dbraw/zinc/60/40/21/922604021.db2.gz VWHCRXUKPUFFOD-RKDXNWHRSA-N -1 3 386.748 3.777 20 0 GHADHM CC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000368441331 922677005 /nfs/dbraw/zinc/67/70/05/922677005.db2.gz CKJGRDUJKCMXBK-UHFFFAOYSA-N -1 3 394.471 3.518 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749163187 924058417 /nfs/dbraw/zinc/05/84/17/924058417.db2.gz SOGQGGOMIVGETD-UHFFFAOYSA-N -1 3 376.869 3.674 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000677147021 924258831 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3.884 20 0 GHADHM COc1cccc([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])c2nccn2C)c1 ZINC000678300704 924714333 /nfs/dbraw/zinc/71/43/33/924714333.db2.gz FPVNWCMGOOIWGC-HXUWFJFHSA-N -1 3 379.460 3.777 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000410118750 925339507 /nfs/dbraw/zinc/33/95/07/925339507.db2.gz WRMYCVPNVPFNPF-UHFFFAOYSA-N -1 3 391.880 3.626 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000680504049 925497985 /nfs/dbraw/zinc/49/79/85/925497985.db2.gz OLEWWWOAKFTGAF-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc(-c3cccnc3)n2C2CC2)no1 ZINC000372544083 925524514 /nfs/dbraw/zinc/52/45/14/925524514.db2.gz BEVKSORCLYAJID-UHFFFAOYSA-N -1 3 392.444 3.723 20 0 GHADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000410403443 925611817 /nfs/dbraw/zinc/61/18/17/925611817.db2.gz WNNMSCOOKCLLQK-UHFFFAOYSA-N -1 3 394.811 3.639 20 0 GHADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001137441340 925803354 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CC(C)COC[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccco1 ZINC000725830902 926461688 /nfs/dbraw/zinc/46/16/88/926461688.db2.gz IKGMVTBXIPODNE-IBGZPJMESA-N -1 3 375.490 3.900 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](c3ccc(O)cc3)C3CC3)nc21 ZINC000412209777 927211158 /nfs/dbraw/zinc/21/11/58/927211158.db2.gz YLLONOXYVMOLPM-INIZCTEOSA-N -1 3 379.416 3.578 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(CCCn2ccnc2)CC1 ZINC000412249785 927259792 /nfs/dbraw/zinc/25/97/92/927259792.db2.gz TYIYDYYZURAEHX-UHFFFAOYSA-N -1 3 398.894 3.711 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412336125 927347644 /nfs/dbraw/zinc/34/76/44/927347644.db2.gz JBJQVWKJYJJEFW-SNVBAGLBSA-N -1 3 390.203 3.820 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374922256 927703275 /nfs/dbraw/zinc/70/32/75/927703275.db2.gz YKJRBMMCZIXYAL-HXUWFJFHSA-N -1 3 395.499 3.641 20 0 GHADHM O=C(NCCNC(=S)Nc1ccccc1-c1ccccc1)c1ccc([O-])cc1 ZINC000750998591 927972872 /nfs/dbraw/zinc/97/28/72/927972872.db2.gz DTSIARJPSFBLNQ-UHFFFAOYSA-N -1 3 391.496 3.776 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H](O)c1c(Cl)cccc1Cl ZINC000751476920 928211785 /nfs/dbraw/zinc/21/17/85/928211785.db2.gz VOZUWIIHWSANKP-VXJOIVPMSA-N -1 3 396.242 3.672 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(F)cc3Cl)co2)cc1 ZINC000466928015 928511957 /nfs/dbraw/zinc/51/19/57/928511957.db2.gz XZEXSRDRJVYDME-UHFFFAOYSA-N -1 3 380.828 3.921 20 0 GHADHM Cc1cc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)oc2c(Br)c1 ZINC000543873751 928520656 /nfs/dbraw/zinc/52/06/56/928520656.db2.gz GEERHJAJDRNVJD-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)oc2c(Br)c1 ZINC000543873751 928520666 /nfs/dbraw/zinc/52/06/66/928520666.db2.gz GEERHJAJDRNVJD-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccsc32)ccc1F ZINC000752376870 928803063 /nfs/dbraw/zinc/80/30/63/928803063.db2.gz TZQPZYGQYFXKEK-UHFFFAOYSA-N -1 3 392.477 3.979 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000544101847 928808257 /nfs/dbraw/zinc/80/82/57/928808257.db2.gz RLZVVMPDEOZZSI-QWRGUYRKSA-N -1 3 382.386 3.501 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(CCCc3ccccc3)c2)c(=O)[n-]1 ZINC000544246935 928975621 /nfs/dbraw/zinc/97/56/21/928975621.db2.gz DUWKQZHKKZZCPV-UHFFFAOYSA-N -1 3 376.460 3.988 20 0 GHADHM COc1ccc2c(c1)oc(C(=O)NCc1cnc(C)[n-]c1=O)c2-c1ccccc1 ZINC000544260358 928991439 /nfs/dbraw/zinc/99/14/39/928991439.db2.gz KXKHKKHYLIVLIS-UHFFFAOYSA-N -1 3 389.411 3.842 20 0 GHADHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1cnc(C)[n-]c1=O ZINC000544261490 928993057 /nfs/dbraw/zinc/99/30/57/928993057.db2.gz PYJNCDWGZXDPMY-UHFFFAOYSA-N -1 3 384.505 3.766 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2CCCCC2)no1 ZINC000544545238 929273963 /nfs/dbraw/zinc/27/39/63/929273963.db2.gz PNAWDNWIRICZOA-LBPRGKRZSA-N -1 3 383.901 3.885 20 0 GHADHM CC(C)(C)n1nc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1C1CC1 ZINC000467708723 929322534 /nfs/dbraw/zinc/32/25/34/929322534.db2.gz KHZJOUARZOKEMU-UHFFFAOYSA-N -1 3 385.418 3.858 20 0 GHADHM COc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1OC(F)F ZINC000467715870 929331187 /nfs/dbraw/zinc/33/11/87/929331187.db2.gz SYZWTBFCJGDDRN-UHFFFAOYSA-N -1 3 395.312 3.639 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467720485 929338241 /nfs/dbraw/zinc/33/82/41/929338241.db2.gz ALFVDRQDNCMHQV-UHFFFAOYSA-N -1 3 382.292 3.751 20 0 GHADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1cccc(OC(F)(F)F)c1 ZINC000753563720 929419871 /nfs/dbraw/zinc/41/98/71/929419871.db2.gz MYAMXJANDLGASS-YAFRSCOQSA-N -1 3 376.334 3.547 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(C)C ZINC000544772401 929565103 /nfs/dbraw/zinc/56/51/03/929565103.db2.gz DUBCGVSJMXOZJS-LLVKDONJSA-N -1 3 377.282 3.799 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c1 ZINC000757918098 929854210 /nfs/dbraw/zinc/85/42/10/929854210.db2.gz CFIUBYYRHADRIC-RDJZCZTQSA-N -1 3 376.497 3.720 20 0 GHADHM COc1cccc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000758530962 930072781 /nfs/dbraw/zinc/07/27/81/930072781.db2.gz BYPMEQHHUOKNNO-UHFFFAOYSA-N -1 3 388.221 3.600 20 0 GHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000759334949 930344457 /nfs/dbraw/zinc/34/44/57/930344457.db2.gz SVKDSCWBNCJBCM-JTQLQIEISA-N -1 3 393.852 3.506 20 0 GHADHM C[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(-n2cncn2)cc1 ZINC000780828088 930609675 /nfs/dbraw/zinc/60/96/75/930609675.db2.gz NKJNESSCJQBAMU-GFCCVEGCSA-N -1 3 396.834 3.584 20 0 GHADHM Cc1nc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])ccc1[C@@H](C)O ZINC000781011418 930670962 /nfs/dbraw/zinc/67/09/62/930670962.db2.gz RYEOHWHSFIMQIB-OAHLLOKOSA-N -1 3 378.428 3.871 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ccccc2)c1Br ZINC000782171654 931108257 /nfs/dbraw/zinc/10/82/57/931108257.db2.gz CENYTVLCDMIESO-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1occc1COc1ccccc1 ZINC000782241741 931135880 /nfs/dbraw/zinc/13/58/80/931135880.db2.gz AYWCICPEDXZSFK-UHFFFAOYSA-N -1 3 392.367 3.971 20 0 GHADHM COc1ccc(CCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1Cl ZINC000782265713 931147379 /nfs/dbraw/zinc/14/73/79/931147379.db2.gz DEZYKRABOGCEBU-UHFFFAOYSA-N -1 3 388.807 3.780 20 0 GHADHM COc1cc(-c2noc([C@H]3CCCN3C(C)C)n2)cc(Br)c1[O-] ZINC000924008165 931175310 /nfs/dbraw/zinc/17/53/10/931175310.db2.gz RFZREIQFCRXRQR-GFCCVEGCSA-N -1 3 382.258 3.759 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(Cl)c1F ZINC000557090295 931206613 /nfs/dbraw/zinc/20/66/13/931206613.db2.gz IYOOOKHXNNYAFQ-ZYHUDNBSSA-N -1 3 375.874 3.739 20 0 GHADHM O=c1cc(C[S@](=O)Cc2noc(C3CCCCC3)n2)nc(-c2ccccc2)[n-]1 ZINC000557119804 931219478 /nfs/dbraw/zinc/21/94/78/931219478.db2.gz UNLXNZBHDHBDHN-NDEPHWFRSA-N -1 3 398.488 3.729 20 0 GHADHM O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000557934654 931762923 /nfs/dbraw/zinc/76/29/23/931762923.db2.gz HELVYBHZCXOTLK-OAHLLOKOSA-N -1 3 394.393 3.609 20 0 GHADHM Cc1nc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(-c2ccccc2)o1 ZINC000784709915 931985002 /nfs/dbraw/zinc/98/50/02/931985002.db2.gz BCJFQXKEDYALPS-UHFFFAOYSA-N -1 3 377.356 3.763 20 0 GHADHM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784870747 932015741 /nfs/dbraw/zinc/01/57/41/932015741.db2.gz GNIMLASDOAAGSN-UHFFFAOYSA-N -1 3 388.533 3.567 20 0 GHADHM Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000558476606 932024676 /nfs/dbraw/zinc/02/46/76/932024676.db2.gz YLOKWLKMVZCPPM-KGLIPLIRSA-N -1 3 376.453 3.920 20 0 GHADHM CC(C)NC(=O)OC[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000796704842 932036753 /nfs/dbraw/zinc/03/67/53/932036753.db2.gz BVHQQNWYUGPEFL-CQSZACIVSA-N -1 3 398.463 3.571 20 0 GHADHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797441769 932286790 /nfs/dbraw/zinc/28/67/90/932286790.db2.gz DTKHONHXDXIIKO-SECBINFHSA-N -1 3 378.675 3.605 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000797737037 932387487 /nfs/dbraw/zinc/38/74/87/932387487.db2.gz OTAKBDRNFHWRTL-UHFFFAOYSA-N -1 3 394.493 3.911 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\Sc1cc(F)ccc1F ZINC000797808756 932413748 /nfs/dbraw/zinc/41/37/48/932413748.db2.gz PHYSVUSSVBLMLD-HJWRWDBZSA-N -1 3 384.429 3.581 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC000797816424 932414340 /nfs/dbraw/zinc/41/43/40/932414340.db2.gz CLJPYNWWBYQJCB-UHFFFAOYSA-N -1 3 378.450 3.761 20 0 GHADHM CC1(C)C[C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC000798441182 932648586 /nfs/dbraw/zinc/64/85/86/932648586.db2.gz MIFHDXNYVZNKMK-MRXNPFEDSA-N -1 3 397.441 3.509 20 0 GHADHM O=C([N-]CC1CCN(Cc2ncc(-c3ccccc3)s2)CC1)C(F)(F)F ZINC000798956169 932838534 /nfs/dbraw/zinc/83/85/34/932838534.db2.gz KHCTXOQCXTYXNC-UHFFFAOYSA-N -1 3 383.439 3.701 20 0 GHADHM C[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)c1cccnc1 ZINC000559988072 933001264 /nfs/dbraw/zinc/00/12/64/933001264.db2.gz VMAJEKRPLYJAOJ-JTQLQIEISA-N -1 3 397.236 3.831 20 0 GHADHM CC1(C)CCC[C@H]1OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000799471855 933016801 /nfs/dbraw/zinc/01/68/01/933016801.db2.gz HXSXMODFFKCDRN-MRXNPFEDSA-N -1 3 380.441 3.690 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001116685545 933703256 /nfs/dbraw/zinc/70/32/56/933703256.db2.gz FOBGKHFXZHNBBB-UHFFFAOYSA-N -1 3 381.501 3.940 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC001116831866 933783196 /nfs/dbraw/zinc/78/31/96/933783196.db2.gz CTOCKBCLKBFROG-LBPRGKRZSA-N -1 3 395.695 3.708 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)sc2C)cc1 ZINC000561090968 933855023 /nfs/dbraw/zinc/85/50/23/933855023.db2.gz DSYCJMMBDFVCRY-UHFFFAOYSA-N -1 3 382.445 3.752 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561091656 933856713 /nfs/dbraw/zinc/85/67/13/933856713.db2.gz LDLPSQBEFMEUHQ-UHFFFAOYSA-N -1 3 378.457 3.924 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1c[nH]c(C(F)(F)F)c1 ZINC001117684589 933982721 /nfs/dbraw/zinc/98/27/21/933982721.db2.gz PAMBYSSEETUCOL-UHFFFAOYSA-N -1 3 387.152 3.736 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2nc(C3CC3)ncc2Br)s1 ZINC000930424363 934039212 /nfs/dbraw/zinc/03/92/12/934039212.db2.gz QGTOKRNSYPXDSX-UHFFFAOYSA-N -1 3 382.287 3.518 20 0 GHADHM Cc1ccc(Oc2ccccc2CCNC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001117937379 934062492 /nfs/dbraw/zinc/06/24/92/934062492.db2.gz DFVZWAJEHWEARM-UHFFFAOYSA-N -1 3 391.471 3.883 20 0 GHADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561496476 934213882 /nfs/dbraw/zinc/21/38/82/934213882.db2.gz PVSQGTNXAHDECP-VIFPVBQESA-N -1 3 383.388 3.695 20 0 GHADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000561548949 934260956 /nfs/dbraw/zinc/26/09/56/934260956.db2.gz SOHVBEYWHXMNIC-UHFFFAOYSA-N -1 3 398.750 3.834 20 0 GHADHM CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC[C@@H]1c1ccccc1 ZINC001149085440 934347587 /nfs/dbraw/zinc/34/75/87/934347587.db2.gz ACNONASPZRJHBP-QUCCMNQESA-N -1 3 394.515 3.863 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(Nc3nc4c(cc(Cl)cc4F)s3)CC2)n1 ZINC001120876909 934529332 /nfs/dbraw/zinc/52/93/32/934529332.db2.gz PVZUUSYIYNSPRS-UHFFFAOYSA-N -1 3 393.875 3.974 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N(C)CCCF)cc1 ZINC000931624736 934650020 /nfs/dbraw/zinc/65/00/20/934650020.db2.gz WQIOAMQQVPPALU-UHFFFAOYSA-N -1 3 393.484 3.928 20 0 GHADHM O=c1cc(C(F)F)nc(SCCCSc2nc(C(F)F)cc(=O)[nH]2)[n-]1 ZINC000562043245 934654476 /nfs/dbraw/zinc/65/44/76/934654476.db2.gz GAOPYELALHWDIS-UHFFFAOYSA-N -1 3 396.391 3.828 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC001121760528 934757602 /nfs/dbraw/zinc/75/76/02/934757602.db2.gz BIOXIFVPROFPTA-MLGOLLRUSA-N -1 3 394.479 3.654 20 0 GHADHM Cn1ccc([C@H]2CCCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)C2)n1 ZINC000932136016 934831858 /nfs/dbraw/zinc/83/18/58/934831858.db2.gz GTQNAVGADKBNPF-ZDUSSCGKSA-N -1 3 395.488 3.770 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccnc(OC4CCC4)c3)c2)n1 ZINC001122639755 934930300 /nfs/dbraw/zinc/93/03/00/934930300.db2.gz OUQUKSBWGFXVDV-UHFFFAOYSA-N -1 3 377.400 3.703 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCCC3)C2)c1 ZINC001124127942 935346145 /nfs/dbraw/zinc/34/61/45/935346145.db2.gz TWPTVHPKASEIAI-INIZCTEOSA-N -1 3 397.475 3.983 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ocnc2-c2ccccc2)c1 ZINC001124301101 935371598 /nfs/dbraw/zinc/37/15/98/935371598.db2.gz ZCEOQNWRANOREF-UHFFFAOYSA-N -1 3 376.821 3.651 20 0 GHADHM O=C([N-]Cc1cc2ccccc2o1)C(F)(F)c1ncccc1Br ZINC001125054447 935517358 /nfs/dbraw/zinc/51/73/58/935517358.db2.gz UWSSEFWYFZPEDK-UHFFFAOYSA-N -1 3 381.176 3.999 20 0 GHADHM CCn1c2ccc(F)cc2nc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001137772963 935782336 /nfs/dbraw/zinc/78/23/36/935782336.db2.gz XPNRSMOQHDJTSL-UHFFFAOYSA-N -1 3 386.333 3.567 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CCN1Cc1ccccc1 ZINC000829244885 935784786 /nfs/dbraw/zinc/78/47/86/935784786.db2.gz IFWJUBVVRZKENO-OAHLLOKOSA-N -1 3 381.501 3.853 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCc2cc(Br)ccc21 ZINC000829532792 935823619 /nfs/dbraw/zinc/82/36/19/935823619.db2.gz DBKSSIGIOQJJTQ-OAHLLOKOSA-N -1 3 389.249 3.595 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC001137898813 935854174 /nfs/dbraw/zinc/85/41/74/935854174.db2.gz GETIAHHGCLGPND-MRXNPFEDSA-N -1 3 379.334 3.640 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)[n-]n1 ZINC001137978448 935903490 /nfs/dbraw/zinc/90/34/90/935903490.db2.gz IEFORYGCPREPGJ-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)n[n-]1 ZINC001137978448 935903493 /nfs/dbraw/zinc/90/34/93/935903493.db2.gz IEFORYGCPREPGJ-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM Cc1cccc(COc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000029349561 944604212 /nfs/dbraw/zinc/60/42/12/944604212.db2.gz WBVSZBSIQFGRAN-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1cccc(COc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000029349561 944604218 /nfs/dbraw/zinc/60/42/18/944604218.db2.gz WBVSZBSIQFGRAN-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC001573550948 946867541 /nfs/dbraw/zinc/86/75/41/946867541.db2.gz FHLUJEBYHLTZSW-UHFFFAOYSA-N -1 3 397.866 3.930 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC001573550948 946867552 /nfs/dbraw/zinc/86/75/52/946867552.db2.gz FHLUJEBYHLTZSW-UHFFFAOYSA-N -1 3 397.866 3.930 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001573363389 947711265 /nfs/dbraw/zinc/71/12/65/947711265.db2.gz CFHAZOWWUXSZQQ-HJWRWDBZSA-N -1 3 388.225 3.573 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001573363389 947711275 /nfs/dbraw/zinc/71/12/75/947711275.db2.gz CFHAZOWWUXSZQQ-HJWRWDBZSA-N -1 3 388.225 3.573 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001464623345 948530669 /nfs/dbraw/zinc/53/06/69/948530669.db2.gz PENZHKDPEWPIAJ-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001464623345 948530675 /nfs/dbraw/zinc/53/06/75/948530675.db2.gz PENZHKDPEWPIAJ-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM CC(C)(C)c1ccc(C(F)(F)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001542944946 948554814 /nfs/dbraw/zinc/55/48/14/948554814.db2.gz RJEAOIOTAWBLEJ-UHFFFAOYSA-N -1 3 385.418 3.572 20 0 GHADHM CC(C)(C)c1ccc(C(F)(F)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001542944946 948554824 /nfs/dbraw/zinc/55/48/24/948554824.db2.gz RJEAOIOTAWBLEJ-UHFFFAOYSA-N -1 3 385.418 3.572 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574694343 949074912 /nfs/dbraw/zinc/07/49/12/949074912.db2.gz NUJCJCJDJHEGES-VLIAUNLRSA-N -1 3 393.466 3.768 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574694343 949074932 /nfs/dbraw/zinc/07/49/32/949074932.db2.gz NUJCJCJDJHEGES-VLIAUNLRSA-N -1 3 393.466 3.768 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC001576153082 949273494 /nfs/dbraw/zinc/27/34/94/949273494.db2.gz LQKYFMPYPNCSFQ-ZIAGYGMSSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC001576153082 949273515 /nfs/dbraw/zinc/27/35/15/949273515.db2.gz LQKYFMPYPNCSFQ-ZIAGYGMSSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C1 ZINC001576154006 949313811 /nfs/dbraw/zinc/31/38/11/949313811.db2.gz OGRNCQOBKICMRP-JMSVASOKSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C1 ZINC001576154006 949313818 /nfs/dbraw/zinc/31/38/18/949313818.db2.gz OGRNCQOBKICMRP-JMSVASOKSA-N -1 3 396.417 3.690 20 0 GHADHM CC[C@]1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)OCCc2ccccc21 ZINC001589615650 949366537 /nfs/dbraw/zinc/36/65/37/949366537.db2.gz RYNPWZXIXKOXIX-WZONZLPQSA-N -1 3 398.503 3.548 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575272266 949637574 /nfs/dbraw/zinc/63/75/74/949637574.db2.gz OEPHNLADJJCAPO-HNNXBMFYSA-N -1 3 375.476 3.944 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575272266 949637589 /nfs/dbraw/zinc/63/75/89/949637589.db2.gz OEPHNLADJJCAPO-HNNXBMFYSA-N -1 3 375.476 3.944 20 0 GHADHM C[C@@H]1CCCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CCCC2)C1 ZINC001576180651 949966213 /nfs/dbraw/zinc/96/62/13/949966213.db2.gz PLMVFIFKVCPVSN-OAHLLOKOSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@@H]1CCCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CCCC2)C1 ZINC001576180651 949966229 /nfs/dbraw/zinc/96/62/29/949966229.db2.gz PLMVFIFKVCPVSN-OAHLLOKOSA-N -1 3 392.511 3.552 20 0 GHADHM CC(C)(C(=O)Nc1cccc2c1OC(C)(C)C=C2)c1ccc(-c2nnn[n-]2)cc1 ZINC001575623147 950648036 /nfs/dbraw/zinc/64/80/36/950648036.db2.gz IUMXZNOEKGDUEJ-UHFFFAOYSA-N -1 3 389.459 3.967 20 0 GHADHM CC(C)(C(=O)Nc1cccc2c1OC(C)(C)C=C2)c1ccc(-c2nn[n-]n2)cc1 ZINC001575623147 950648046 /nfs/dbraw/zinc/64/80/46/950648046.db2.gz IUMXZNOEKGDUEJ-UHFFFAOYSA-N -1 3 389.459 3.967 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)CCCC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC001573876711 950678350 /nfs/dbraw/zinc/67/83/50/950678350.db2.gz SSYYRXDAZXIFPN-UHFFFAOYSA-N -1 3 387.484 3.768 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)CCCC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001573876711 950678367 /nfs/dbraw/zinc/67/83/67/950678367.db2.gz SSYYRXDAZXIFPN-UHFFFAOYSA-N -1 3 387.484 3.768 20 0 GHADHM C[C@H](CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCO1 ZINC001574520060 950713221 /nfs/dbraw/zinc/71/32/21/950713221.db2.gz KWBXELBIJGHATE-KUHUBIRLSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@H](CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCO1 ZINC001574520060 950713236 /nfs/dbraw/zinc/71/32/36/950713236.db2.gz KWBXELBIJGHATE-KUHUBIRLSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1cccc(F)c1 ZINC001576216928 950745299 /nfs/dbraw/zinc/74/52/99/950745299.db2.gz KEZCHMHXQYUQQH-CHWSQXEVSA-N -1 3 394.454 3.658 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1cccc(F)c1 ZINC001576216928 950745311 /nfs/dbraw/zinc/74/53/11/950745311.db2.gz KEZCHMHXQYUQQH-CHWSQXEVSA-N -1 3 394.454 3.658 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)o1 ZINC001573881269 950752312 /nfs/dbraw/zinc/75/23/12/950752312.db2.gz CBNQUJYDBYNMAK-UHFFFAOYSA-N -1 3 380.452 3.956 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)o1 ZINC001573881269 950752330 /nfs/dbraw/zinc/75/23/30/950752330.db2.gz CBNQUJYDBYNMAK-UHFFFAOYSA-N -1 3 380.452 3.956 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC001573881924 950761030 /nfs/dbraw/zinc/76/10/30/950761030.db2.gz JYTPUDRMOPOZNP-UHFFFAOYSA-N -1 3 397.914 3.539 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC001573881924 950761043 /nfs/dbraw/zinc/76/10/43/950761043.db2.gz JYTPUDRMOPOZNP-UHFFFAOYSA-N -1 3 397.914 3.539 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)s1 ZINC001573882220 950771819 /nfs/dbraw/zinc/77/18/19/950771819.db2.gz XWYBZDHUWONTLO-UHFFFAOYSA-N -1 3 392.435 3.826 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)s1 ZINC001573882220 950771827 /nfs/dbraw/zinc/77/18/27/950771827.db2.gz XWYBZDHUWONTLO-UHFFFAOYSA-N -1 3 392.435 3.826 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001574184173 950774939 /nfs/dbraw/zinc/77/49/39/950774939.db2.gz HHDAVPNJTZPFTB-SMDDNHRTSA-N -1 3 396.417 3.615 20 0 GHADHM O=C([O-])c1c(F)ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1Cl ZINC001595207278 952337123 /nfs/dbraw/zinc/33/71/23/952337123.db2.gz VCTNFRHXLFOJGR-UHFFFAOYSA-N -1 3 383.851 3.660 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccc(-c3c(F)cccc3F)o1)O2 ZINC001594905375 954669902 /nfs/dbraw/zinc/66/99/02/954669902.db2.gz NHXXFNYLXNKSRS-JGOZLAPISA-N -1 3 377.387 3.727 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@@H](Nc4ccccc4)C3)o2)C1 ZINC001594914498 954730473 /nfs/dbraw/zinc/73/04/73/954730473.db2.gz GZRJJZJPAUEHMK-PKOBYXMFSA-N -1 3 383.492 3.657 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCCO[C@@H](c4ccccc4)C3)o2)CC1 ZINC001594939794 954874224 /nfs/dbraw/zinc/87/42/24/954874224.db2.gz MAKTWTQNZLZYPJ-HXUWFJFHSA-N -1 3 384.476 3.544 20 0 GHADHM C[C@H](COCC1CCCCC1)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589076080 955811629 /nfs/dbraw/zinc/81/16/29/955811629.db2.gz XIVWXOIQUQYBHT-AEFFLSMTSA-N -1 3 378.513 3.656 20 0 GHADHM Cc1ccc(-c2csc(CN3C[C@H](C(=O)[O-])C[C@H](c4cnn(C)c4)C3)n2)cc1 ZINC001574347698 960971260 /nfs/dbraw/zinc/97/12/60/960971260.db2.gz KTNQDWZSNAMOPC-DLBZAZTESA-N -1 3 396.516 3.542 20 0 GHADHM Cc1cccc([C@H](NCc2ccc(C(=O)OCc3ccccc3)[nH]2)C(=O)[O-])c1 ZINC001574394982 961203914 /nfs/dbraw/zinc/20/39/14/961203914.db2.gz LVBSIFKGIRWOMI-FQEVSTJZSA-N -1 3 378.428 3.596 20 0 GHADHM COc1ccc2cc(CC[C@H](C)Oc3[n-]c(=O)nc4cnncc43)ccc2c1 ZINC001226691456 1032078819 /nfs/dbraw/zinc/07/88/19/1032078819.db2.gz YYDYHRZXANSDJV-ZDUSSCGKSA-N -1 3 376.416 3.687 20 0 GHADHM O=C([O-])CC1(CN2CCC[C@@H]2c2ccccc2I)CC1 ZINC000576522346 974816259 /nfs/dbraw/zinc/81/62/59/974816259.db2.gz DWAHAEUGVVEYIN-CQSZACIVSA-N -1 3 385.245 3.683 20 0 GHADHM CC(C)Oc1c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cccc1C(=O)[O-] ZINC001591740905 975744362 /nfs/dbraw/zinc/74/43/62/975744362.db2.gz LXMBDDNPQQDADK-DGCLKSJQSA-N -1 3 389.370 3.858 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591871387 976209057 /nfs/dbraw/zinc/20/90/57/976209057.db2.gz AIAQTVBMFUKARA-PUHATCMVSA-N -1 3 394.515 3.663 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1csc(C(F)(F)F)c1 ZINC001592267863 977518348 /nfs/dbraw/zinc/51/83/48/977518348.db2.gz HGIMZZQVDUDPLA-SNVBAGLBSA-N -1 3 386.395 3.972 20 0 GHADHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc(C)c1Cl ZINC001625933080 1014463976 /nfs/dbraw/zinc/46/39/76/1014463976.db2.gz LPNAIUZGAONDOJ-UHFFFAOYSA-N -1 3 393.317 3.589 20 0 GHADHM O=c1cc(O[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc(N2CCOCC2)[n-]1 ZINC001226721230 1032093014 /nfs/dbraw/zinc/09/30/14/1032093014.db2.gz CVKGSWFQMRZVAR-FQEVSTJZSA-N -1 3 397.862 3.841 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccco1 ZINC001594995271 982891078 /nfs/dbraw/zinc/89/10/78/982891078.db2.gz VJWWFUNYAHSHPI-SUMWQHHRSA-N -1 3 396.447 3.777 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccco1 ZINC001594995514 982897834 /nfs/dbraw/zinc/89/78/34/982897834.db2.gz ZOOFNFFUUOKDQN-BONVTDFDSA-N -1 3 381.379 3.507 20 0 GHADHM CCOC(=O)CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001596601475 984559512 /nfs/dbraw/zinc/55/95/12/984559512.db2.gz LDNWNSQMDZNEEZ-CYBMUJFWSA-N -1 3 398.297 3.703 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599891488 984699001 /nfs/dbraw/zinc/69/90/01/984699001.db2.gz RKBVZOQLEVOFOA-GFCCVEGCSA-N -1 3 393.846 3.819 20 0 GHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000544843042 1015091312 /nfs/dbraw/zinc/09/13/12/1015091312.db2.gz VVOSLINMSRPBKK-ZETCQYMHSA-N -1 3 378.185 3.598 20 0 GHADHM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594534940 986144599 /nfs/dbraw/zinc/14/45/99/986144599.db2.gz KZVDRIQXFWXZBR-ZFWWWQNUSA-N -1 3 380.460 3.507 20 0 GHADHM CC[C@@H]1OCC[C@H]1NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001597307812 987421626 /nfs/dbraw/zinc/42/16/26/987421626.db2.gz KSBOAHPIXRJETR-CABCVRRESA-N -1 3 384.263 3.534 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC001597454132 987860334 /nfs/dbraw/zinc/86/03/34/987860334.db2.gz YZLSMMPZTHOOME-UHFFFAOYSA-N -1 3 397.519 3.976 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2F)no1 ZINC000544994660 1015336726 /nfs/dbraw/zinc/33/67/26/1015336726.db2.gz MYCJJBXFDYMTKJ-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM CSc1ccc(CN2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)s1 ZINC001599813360 988376706 /nfs/dbraw/zinc/37/67/06/988376706.db2.gz QEMPHDHVKQLHFB-MMSRSVNZSA-N -1 3 397.562 3.725 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C)CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001589854933 988394091 /nfs/dbraw/zinc/39/40/91/988394091.db2.gz KTUNWSRCEQOQOK-KBXCAEBGSA-N -1 3 387.398 3.885 20 0 GHADHM CCc1ccccc1[C@H](CNCc1ccoc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001597609319 988494037 /nfs/dbraw/zinc/49/40/37/988494037.db2.gz MBBQKIUUZLMJAY-KRWDZBQOSA-N -1 3 388.464 3.896 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000545061065 1015450833 /nfs/dbraw/zinc/45/08/33/1015450833.db2.gz LFFQLMCMVLAVNA-INIZCTEOSA-N -1 3 389.408 3.528 20 0 GHADHM CN(C)c1c(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)ccc(F)c1F ZINC001598283807 991176205 /nfs/dbraw/zinc/17/62/05/991176205.db2.gz QPJNDRMSJRAYEI-LSDHHAIUSA-N -1 3 396.384 3.609 20 0 GHADHM CN(c1ccccc1)[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001598544164 992928261 /nfs/dbraw/zinc/92/82/61/992928261.db2.gz GCGBDBWUSYGMAR-QGZVFWFLSA-N -1 3 389.293 3.858 20 0 GHADHM CN1CCN(C(=O)Nc2cccc([C@H]3CCCC(C)(C)C3)c2)C[C@H](C(=O)[O-])C1 ZINC001598609296 993735257 /nfs/dbraw/zinc/73/52/57/993735257.db2.gz RQFVLQAILZAXNP-ZWKOTPCHSA-N -1 3 387.524 3.851 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC001593131216 993878415 /nfs/dbraw/zinc/87/84/15/993878415.db2.gz LZTUIDSELCGMLT-OLZOCXBDSA-N -1 3 382.888 3.773 20 0 GHADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CC(=O)N2C ZINC001593194689 994139283 /nfs/dbraw/zinc/13/92/83/994139283.db2.gz LOEPDTLDWWIINC-VOJFVSQTSA-N -1 3 392.377 3.701 20 0 GHADHM C[C@@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1OCC(=O)[O-] ZINC001593245695 994439291 /nfs/dbraw/zinc/43/92/91/994439291.db2.gz APBZEWMASWYTJD-WBMJQRKESA-N -1 3 383.366 3.553 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3CCCCC3)cs2)c1 ZINC000545463598 1015898611 /nfs/dbraw/zinc/89/86/11/1015898611.db2.gz ADNPLJXYNOPRLQ-UHFFFAOYSA-N -1 3 387.505 3.648 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCc2ccccc21 ZINC000545467717 1015905306 /nfs/dbraw/zinc/90/53/06/1015905306.db2.gz KAXWUKSJLJYJDV-KRWDZBQOSA-N -1 3 385.407 3.515 20 0 GHADHM C[C@H](Oc1ccccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1)C(=O)[O-] ZINC001593644388 995960755 /nfs/dbraw/zinc/96/07/55/995960755.db2.gz JGWNLOALJYLGHU-ZDUSSCGKSA-N -1 3 397.397 3.591 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCOc1cccc2cccnc21 ZINC000468770405 1016016924 /nfs/dbraw/zinc/01/69/24/1016016924.db2.gz ATVQKUCBTJCGSA-UHFFFAOYSA-N -1 3 382.435 3.988 20 0 GHADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN[C@@H](C)c1oc2ccccc2c1C ZINC001599379923 996817456 /nfs/dbraw/zinc/81/74/56/996817456.db2.gz QYBPNYZXCWRPNY-GOEBONIOSA-N -1 3 399.443 3.539 20 0 GHADHM COc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599416841 997525991 /nfs/dbraw/zinc/52/59/91/997525991.db2.gz IZQLYEOQFJITBD-JKSUJKDBSA-N -1 3 377.412 3.936 20 0 GHADHM COC(=O)c1cc(CN2CCC(c3nc4ccccc4o3)CC2)cc(C(=O)[O-])c1 ZINC001598931491 997766846 /nfs/dbraw/zinc/76/68/46/997766846.db2.gz MYTJYAKEYBPGJZ-UHFFFAOYSA-N -1 3 394.427 3.692 20 0 GHADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)n2c1CCCC2 ZINC001598931932 997775925 /nfs/dbraw/zinc/77/59/25/997775925.db2.gz ITRDMUYTLXXCOU-OAQYLSRUSA-N -1 3 392.455 3.680 20 0 GHADHM C[C@@]1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC001594057504 997812093 /nfs/dbraw/zinc/81/20/93/997812093.db2.gz KSVYAWGDOVVZQA-MIZPHKNDSA-N -1 3 393.487 3.661 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(OC)c(OC)c2C)C(=O)[O-])c1 ZINC001599452086 998121567 /nfs/dbraw/zinc/12/15/67/998121567.db2.gz DMGDNAMIRNWTJZ-YJYMSZOUSA-N -1 3 389.448 3.506 20 0 GHADHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Br)c2)cc1OC ZINC001599557953 998128355 /nfs/dbraw/zinc/12/83/55/998128355.db2.gz JRBXNYZBELQVGI-UHFFFAOYSA-N -1 3 394.265 3.797 20 0 GHADHM COc1cc(OC)cc(Oc2cccc(CNCc3cc(C(=O)[O-])n(C)c3)c2)c1 ZINC001599454146 998157822 /nfs/dbraw/zinc/15/78/22/998157822.db2.gz YNXYCLFBVXBJDK-UHFFFAOYSA-N -1 3 396.443 3.823 20 0 GHADHM COc1ccc(C(=O)C2CCN(Cc3c4ccccc4[nH]c3C(=O)[O-])CC2)cc1 ZINC001599478659 998572512 /nfs/dbraw/zinc/57/25/12/998572512.db2.gz PTYKAEIJCVHGMZ-UHFFFAOYSA-N -1 3 392.455 3.970 20 0 GHADHM C[C@H]1[C@H](NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCN1Cc1ccccc1 ZINC001594191578 998749609 /nfs/dbraw/zinc/74/96/09/998749609.db2.gz ASSJHIKWWJOWEW-IFXJQAMLSA-N -1 3 392.459 3.651 20 0 GHADHM COC(=O)c1cccc([C@@H](N[C@H](C)c2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC001598995468 998775792 /nfs/dbraw/zinc/77/57/92/998775792.db2.gz LKRMUOZVFWNADO-BDJLRTHQSA-N -1 3 381.350 3.969 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2ccsc2C(=O)[O-])[C@H]1C ZINC001594307511 999187808 /nfs/dbraw/zinc/18/78/08/999187808.db2.gz APQAUYBHKJLFMF-IPYPFGDCSA-N -1 3 382.526 3.960 20 0 GHADHM C[C@@H]1CC[C@@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])O1 ZINC001594309552 999195115 /nfs/dbraw/zinc/19/51/15/999195115.db2.gz XMYZHSXCEBJGFA-MFKMUULPSA-N -1 3 384.263 3.534 20 0 GHADHM C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)Cc2cnc(C(=O)[O-])cn2)[C@H]1C ZINC001594350629 999330456 /nfs/dbraw/zinc/33/04/56/999330456.db2.gz RTSSLZMBYUXLPQ-VCBZYWHSSA-N -1 3 397.475 3.730 20 0 GHADHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469010297 1016333616 /nfs/dbraw/zinc/33/36/16/1016333616.db2.gz ROWMPKFUIYCELJ-INIZCTEOSA-N -1 3 387.451 3.692 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000469054751 1016382482 /nfs/dbraw/zinc/38/24/82/1016382482.db2.gz QTLWWSZVNRBQLC-CQSZACIVSA-N -1 3 383.423 3.705 20 0 GHADHM C[C@H](CCC1CC1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000470328318 1016771229 /nfs/dbraw/zinc/77/12/29/1016771229.db2.gz OKDNXJMOICEYDF-CYBMUJFWSA-N -1 3 393.915 3.984 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)c1 ZINC001154761289 1032277151 /nfs/dbraw/zinc/27/71/51/1032277151.db2.gz KASGKIVVUJWISO-ZDUSSCGKSA-N -1 3 390.281 3.527 20 0 GHADHM O=C(Cc1nc(NC(=O)c2c[nH]c3c2cccc3Cl)n[n-]1)c1ccccc1 ZINC001154975835 1032364467 /nfs/dbraw/zinc/36/44/67/1032364467.db2.gz NENTXYBAZPAUEM-UHFFFAOYSA-N -1 3 379.807 3.617 20 0 GHADHM [O-]c1cccc(OC(C(F)(F)F)C(F)(F)F)c1I ZINC001227375963 1032395316 /nfs/dbraw/zinc/39/53/16/1032395316.db2.gz OISSEZNENJVSGG-UHFFFAOYSA-N -1 3 386.029 3.869 20 0 GHADHM CC(C)c1oncc1[N-]C(=O)c1cc(F)c(F)cc1I ZINC001155104656 1032417105 /nfs/dbraw/zinc/41/71/05/1032417105.db2.gz RVYRAOWGBITMGO-UHFFFAOYSA-N -1 3 392.143 3.933 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227586516 1032474014 /nfs/dbraw/zinc/47/40/14/1032474014.db2.gz ALJILGJTPBADCG-NSHDSACASA-N -1 3 388.233 3.848 20 0 GHADHM S=c1nc2cnccc2c(O[C@@H]2CCCN(Cc3cnc(Cl)s3)C2)[n-]1 ZINC001227886382 1032669365 /nfs/dbraw/zinc/66/93/65/1032669365.db2.gz UCXKXVSMCIYVMJ-SNVBAGLBSA-N -1 3 393.925 3.841 20 0 GHADHM Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000559986760 1017525906 /nfs/dbraw/zinc/52/59/06/1017525906.db2.gz SKEDHTHHFRGFQN-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000562328076 1018112128 /nfs/dbraw/zinc/11/21/28/1018112128.db2.gz IVPYNYMYPVWKAJ-ORAYPTAESA-N -1 3 385.370 3.572 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(F)c1 ZINC000565101396 1019153378 /nfs/dbraw/zinc/15/33/78/1019153378.db2.gz IHLVDXASBRVOKQ-UHFFFAOYSA-N -1 3 380.423 3.689 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000572176153 1019748595 /nfs/dbraw/zinc/74/85/95/1019748595.db2.gz MMIAKHXINYYJTA-UHFFFAOYSA-N -1 3 383.466 3.900 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000573710464 1019837635 /nfs/dbraw/zinc/83/76/35/1019837635.db2.gz MWYADXPLOONNDE-UHFFFAOYSA-N -1 3 383.826 3.963 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C)nc2C2CC2)[nH][n-]1 ZINC000576604671 1020041609 /nfs/dbraw/zinc/04/16/09/1020041609.db2.gz FKFBCWANYOEIJF-UHFFFAOYSA-N -1 3 382.851 3.994 20 0 GHADHM Cn1cnc2cc(CN[C@@H](CC(=O)[O-])c3cccc(C(F)(F)F)c3)ccc21 ZINC000577235586 1020153015 /nfs/dbraw/zinc/15/30/15/1020153015.db2.gz CRXXTYDZTUBUBF-HNNXBMFYSA-N -1 3 377.366 3.898 20 0 GHADHM COc1ccccc1-c1nc(C2CCN(C(=O)c3c(C)cccc3[O-])CC2)no1 ZINC000626635527 1020470104 /nfs/dbraw/zinc/47/01/04/1020470104.db2.gz FADWLTIKWAGTEJ-UHFFFAOYSA-N -1 3 393.443 3.779 20 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20 0 GHADHM COc1ccc(Br)cc1COC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754277349 1022578201 /nfs/dbraw/zinc/57/82/01/1022578201.db2.gz SYRYMRVZXGTWLD-UHFFFAOYSA-N -1 3 397.221 3.538 20 0 GHADHM CC[C@H](OC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)c1ccc(Cl)cc1 ZINC000754277612 1022578357 /nfs/dbraw/zinc/57/83/57/1022578357.db2.gz CMZXLERHVVLNOB-AWEZNQCLSA-N -1 3 378.808 3.881 20 0 GHADHM COc1cc(C(=O)OCc2ccc(OCc3ccncc3)cc2)cc(OC)c1[O-] ZINC000754282318 1022581036 /nfs/dbraw/zinc/58/10/36/1022581036.db2.gz VYBXZHSCLFAOQN-UHFFFAOYSA-N -1 3 395.411 3.740 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000754478260 1022728807 /nfs/dbraw/zinc/72/88/07/1022728807.db2.gz FZQUODDEYQFGJI-AWEZNQCLSA-N -1 3 395.242 3.911 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140892626 1022817416 /nfs/dbraw/zinc/81/74/16/1022817416.db2.gz UQMISNGRUJPUFS-WMZOPIPTSA-N -1 3 375.415 3.982 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000836348721 1022905109 /nfs/dbraw/zinc/90/51/09/1022905109.db2.gz LHLMHAKWXYKFAS-UHFFFAOYSA-N -1 3 399.447 3.642 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000836348721 1022905115 /nfs/dbraw/zinc/90/51/15/1022905115.db2.gz LHLMHAKWXYKFAS-UHFFFAOYSA-N -1 3 399.447 3.642 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000836436236 1022968525 /nfs/dbraw/zinc/96/85/25/1022968525.db2.gz XAACVNBLUDBKTE-UHFFFAOYSA-N -1 3 393.827 3.922 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000836436236 1022968528 /nfs/dbraw/zinc/96/85/28/1022968528.db2.gz XAACVNBLUDBKTE-UHFFFAOYSA-N -1 3 393.827 3.922 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1cccc(Cl)c1Br ZINC000755071367 1023051598 /nfs/dbraw/zinc/05/15/98/1023051598.db2.gz CYZZAYIQKFHJSI-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM [O-]c1c(F)cc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cc1F ZINC001140994367 1023117970 /nfs/dbraw/zinc/11/79/70/1023117970.db2.gz XHDHASSTHOLNSE-QGZVFWFLSA-N -1 3 381.463 3.716 20 0 GHADHM COC(=O)[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(Br)c1 ZINC001228854260 1033136522 /nfs/dbraw/zinc/13/65/22/1033136522.db2.gz PTQHSYJVRHOCHL-KRWDZBQOSA-N -1 3 391.217 3.577 20 0 GHADHM COc1ccc([C@@H](C)[N-]C(=O)C(F)(F)c2nccs2)cc1Br ZINC000756414498 1023635833 /nfs/dbraw/zinc/63/58/33/1023635833.db2.gz RYNKDKPRJOJJBN-MRVPVSSYSA-N -1 3 391.237 3.883 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1CC ZINC000756938340 1023876389 /nfs/dbraw/zinc/87/63/89/1023876389.db2.gz IMUTVHFFBSMRQH-UHFFFAOYSA-N -1 3 392.496 3.588 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000837123019 1024082749 /nfs/dbraw/zinc/08/27/49/1024082749.db2.gz KXVYUCOJDYLMGD-JKSUJKDBSA-N -1 3 394.487 3.664 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ccc(I)cc2[O-])c1F ZINC001138176370 1024306970 /nfs/dbraw/zinc/30/69/70/1024306970.db2.gz CSETZEXPQFSHSI-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM C[C@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000837609406 1024583925 /nfs/dbraw/zinc/58/39/25/1024583925.db2.gz BCGIIGVTFVTPSS-JTQLQIEISA-N -1 3 377.238 3.669 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837611088 1024585513 /nfs/dbraw/zinc/58/55/13/1024585513.db2.gz CKMYQIHCYAHVHJ-UHFFFAOYSA-N -1 3 399.447 3.693 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)/C=C/C3(C)CCOCC3)nc(=O)c2c1C ZINC000838195182 1024990143 /nfs/dbraw/zinc/99/01/43/1024990143.db2.gz UFZHYUCUIXBJRU-BTDICHCPSA-N -1 3 376.478 3.991 20 0 GHADHM Cc1ccc(C2=NO[C@@H](C(=O)Nc3c([O-])ccc(Br)c3C)C2)cc1 ZINC001141436596 1025052487 /nfs/dbraw/zinc/05/24/87/1025052487.db2.gz BNGABIWFVWBZDV-MRXNPFEDSA-N -1 3 389.249 3.903 20 0 GHADHM CN(C[C@@H]1CCN(Cc2cccc([O-])c2Br)C1)C(=O)OC(C)(C)C ZINC000838819701 1025386075 /nfs/dbraw/zinc/38/60/75/1025386075.db2.gz NTGDLKKJFVXGHA-ZDUSSCGKSA-N -1 3 399.329 3.844 20 0 GHADHM [O-]c1cccc(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)c1Br ZINC000838841552 1025391526 /nfs/dbraw/zinc/39/15/26/1025391526.db2.gz FPXXVYIGLSKRIQ-KRWDZBQOSA-N -1 3 380.257 3.992 20 0 GHADHM O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096891 1033276483 /nfs/dbraw/zinc/27/64/83/1033276483.db2.gz LRSNXFGJYOYCNV-XBXGTLAGSA-N -1 3 393.233 3.761 20 0 GHADHM Cc1ccc(Nc2ccccc2C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)cc1 ZINC001156858408 1033282473 /nfs/dbraw/zinc/28/24/73/1033282473.db2.gz GNWGAFWXXYDNGX-UHFFFAOYSA-N -1 3 392.459 3.563 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NCc1cccc([O-])c1Br ZINC000839068637 1025559226 /nfs/dbraw/zinc/55/92/26/1025559226.db2.gz CKILJPGWYUXGPN-UHFFFAOYSA-N -1 3 377.282 3.912 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1(C)C ZINC001162601021 1025821590 /nfs/dbraw/zinc/82/15/90/1025821590.db2.gz SHYVMBXHYLXTTI-IRXDYDNUSA-N -1 3 394.487 3.662 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001141621813 1025930003 /nfs/dbraw/zinc/93/00/03/1025930003.db2.gz BAPMKZZXPWFZOT-UHFFFAOYSA-N -1 3 388.221 3.797 20 0 GHADHM Cc1cccc(CCN(C)Cc2cc(Br)ccc2OCC(=O)[O-])c1 ZINC001139240505 1026089809 /nfs/dbraw/zinc/08/98/09/1026089809.db2.gz WCYRTKRGBBCDEZ-UHFFFAOYSA-N -1 3 392.293 3.895 20 0 GHADHM O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1cc([O-])cc(Br)c1 ZINC001163270466 1026116770 /nfs/dbraw/zinc/11/67/70/1026116770.db2.gz DKKWRWRLLDRFDX-UHFFFAOYSA-N -1 3 398.566 3.819 20 0 GHADHM COc1cccc(CN2CCC(Cc3ccc(F)cc3)CC2)c1OCC(=O)[O-] ZINC001139272154 1026119396 /nfs/dbraw/zinc/11/93/96/1026119396.db2.gz ZGNRVXJYLOLBAI-UHFFFAOYSA-N -1 3 387.451 3.752 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001163390178 1026174442 /nfs/dbraw/zinc/17/44/42/1026174442.db2.gz DGBGCWFSNPPJMR-KRWDZBQOSA-N -1 3 395.365 3.508 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1[O-] ZINC000839690722 1026205258 /nfs/dbraw/zinc/20/52/58/1026205258.db2.gz DYZIWWOFJUPXRY-GOSISDBHSA-N -1 3 398.459 3.591 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1[O-] ZINC000839700053 1026213288 /nfs/dbraw/zinc/21/32/88/1026213288.db2.gz IVYZGKVJFXGQEK-QGZVFWFLSA-N -1 3 392.496 3.606 20 0 GHADHM COC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1N ZINC001139414559 1026287491 /nfs/dbraw/zinc/28/74/91/1026287491.db2.gz XYCDUJMKVIEOMV-UHFFFAOYSA-N -1 3 392.411 3.592 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccsc2)nc1 ZINC001139504628 1026359816 /nfs/dbraw/zinc/35/98/16/1026359816.db2.gz DZYPFUUFZSBSOF-KRWDZBQOSA-N -1 3 387.505 3.826 20 0 GHADHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001164322609 1026484436 /nfs/dbraw/zinc/48/44/36/1026484436.db2.gz QDXYBHPUCKWTPS-JTQLQIEISA-N -1 3 399.800 3.835 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC001164372090 1026497119 /nfs/dbraw/zinc/49/71/19/1026497119.db2.gz JVISHARLCVYSPY-NSHDSACASA-N -1 3 380.345 3.830 20 0 GHADHM C[C@@]1(c2ccc(F)cc2)CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CCO1 ZINC001165158442 1026639121 /nfs/dbraw/zinc/63/91/21/1026639121.db2.gz UMJDZUYIMUJVAF-HNNXBMFYSA-N -1 3 389.830 3.855 20 0 GHADHM CC(C)CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(C)(C)C ZINC001209727212 1027123400 /nfs/dbraw/zinc/12/34/00/1027123400.db2.gz VQOGZHVYMLRENW-GFCCVEGCSA-N -1 3 377.348 3.973 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1[O-] ZINC001141770364 1027193174 /nfs/dbraw/zinc/19/31/74/1027193174.db2.gz OUUJRMCAWFFMDW-UHFFFAOYSA-N -1 3 393.374 3.634 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(OC(C)C)cc1F ZINC001209838071 1027235469 /nfs/dbraw/zinc/23/54/69/1027235469.db2.gz PGDFCFQWGRYYHC-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC001141843727 1027414385 /nfs/dbraw/zinc/41/43/85/1027414385.db2.gz TWXYXSFSJMNOCG-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC001141843727 1027414392 /nfs/dbraw/zinc/41/43/92/1027414392.db2.gz TWXYXSFSJMNOCG-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000840355125 1027476177 /nfs/dbraw/zinc/47/61/77/1027476177.db2.gz WUIOXVYKQVQABR-CMPLNLGQSA-N -1 3 387.793 3.612 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC001210383091 1027479650 /nfs/dbraw/zinc/47/96/50/1027479650.db2.gz PYLFGAZTRABMNH-JTQLQIEISA-N -1 3 393.679 3.762 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC001210383097 1027480013 /nfs/dbraw/zinc/48/00/13/1027480013.db2.gz PYLFGAZTRABMNH-SNVBAGLBSA-N -1 3 393.679 3.762 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@H]2C)cc1F ZINC001210420020 1027500761 /nfs/dbraw/zinc/50/07/61/1027500761.db2.gz VDLLLCJQPVXFDE-MLCYQJTMSA-N -1 3 385.407 3.714 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001211289907 1027892534 /nfs/dbraw/zinc/89/25/34/1027892534.db2.gz WCHUEQCJJKNZDK-QGZVFWFLSA-N -1 3 383.554 3.890 20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1C(F)(F)F ZINC000840916297 1027953149 /nfs/dbraw/zinc/95/31/49/1027953149.db2.gz ISGQNTATOFQNLZ-UHFFFAOYSA-N -1 3 386.395 3.602 20 0 GHADHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC1CCCCC1 ZINC001211456377 1027968902 /nfs/dbraw/zinc/96/89/02/1027968902.db2.gz YYOGFCFKYDRJBK-UYAOXDASSA-N -1 3 393.549 3.538 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@H](C)C2)c(C)c1Cl ZINC001211466810 1027974615 /nfs/dbraw/zinc/97/46/15/1027974615.db2.gz FRRSJPYTMDATGW-FXPVBKGRSA-N -1 3 379.931 3.600 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1Cl ZINC001213293869 1028091033 /nfs/dbraw/zinc/09/10/33/1028091033.db2.gz VUCCLZDQXVXBDG-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1Cl ZINC001213310540 1028101587 /nfs/dbraw/zinc/10/15/87/1028101587.db2.gz GBLFOOTZHVBHSS-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM O=C(c1ccccc1)N1C[C@@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@H]2C1 ZINC001142109548 1028129192 /nfs/dbraw/zinc/12/91/92/1028129192.db2.gz ULUYREKOEWCOSA-GJZGRUSLSA-N -1 3 391.298 3.903 20 0 GHADHM O=S(=O)([N-]C[C@@]1(Cc2ccccc2)C=CCCC1)c1cccnc1Cl ZINC001213360936 1028136500 /nfs/dbraw/zinc/13/65/00/1028136500.db2.gz ZWXBXCAHPJGJFP-IBGZPJMESA-N -1 3 376.909 3.983 20 0 GHADHM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118411 1028167828 /nfs/dbraw/zinc/16/78/28/1028167828.db2.gz KNTUUXWWMSJMGP-NWDGAFQWSA-N -1 3 398.290 3.652 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCn3ncc(Br)c3C2)c(Cl)c1 ZINC001142122285 1028188941 /nfs/dbraw/zinc/18/89/41/1028188941.db2.gz ULRGXFPSBBEOIS-UHFFFAOYSA-N -1 3 377.069 3.674 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)s1 ZINC001213438815 1028191669 /nfs/dbraw/zinc/19/16/69/1028191669.db2.gz YNCTUWNLYWBGIK-OAHLLOKOSA-N -1 3 384.954 3.735 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cc2ccccc2s1 ZINC001213456167 1028201537 /nfs/dbraw/zinc/20/15/37/1028201537.db2.gz GIUBVMBTACUXTB-UHFFFAOYSA-N -1 3 397.880 3.996 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2c2ccccc2)s1 ZINC001213492982 1028224878 /nfs/dbraw/zinc/22/48/78/1028224878.db2.gz LPVGOIOFCBORSZ-GJZGRUSLSA-N -1 3 380.535 3.793 20 0 GHADHM Cc1nccnc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001213603220 1028289615 /nfs/dbraw/zinc/28/96/15/1028289615.db2.gz RHNRPGNVUZIUDY-MRVPVSSYSA-N -1 3 380.684 3.785 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(OC4COC4)c(C(F)(F)F)c3)no2)n1 ZINC001213699558 1028339418 /nfs/dbraw/zinc/33/94/18/1028339418.db2.gz PUZDMVGKNRSSDB-UHFFFAOYSA-N -1 3 393.321 3.609 20 0 GHADHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)c1ccccc1 ZINC001213722168 1028349019 /nfs/dbraw/zinc/34/90/19/1028349019.db2.gz ATJBQKVWEOJGNV-FQEVSTJZSA-N -1 3 385.485 3.696 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@@H]1O ZINC000841542306 1028723048 /nfs/dbraw/zinc/72/30/48/1028723048.db2.gz GGCYNBVAFHGJDC-IXFUNQINSA-N -1 3 399.921 3.565 20 0 GHADHM COc1ccc(Br)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179761593 1028815664 /nfs/dbraw/zinc/81/56/64/1028815664.db2.gz QMFWXJSCWGFUSV-UHFFFAOYSA-N -1 3 378.148 3.584 20 0 GHADHM CN1CCN(Cc2cccc(Nc3cc(C(=O)[O-])c(Cl)cc3F)c2)CC1 ZINC001214748569 1028898340 /nfs/dbraw/zinc/89/83/40/1028898340.db2.gz YKUJONACRPNUGF-UHFFFAOYSA-N -1 3 377.847 3.668 20 0 GHADHM Cc1ccc(C[C@@H](NCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])cc1C ZINC000841822287 1028967555 /nfs/dbraw/zinc/96/75/55/1028967555.db2.gz NNTNNGUHYPNRNA-HXUWFJFHSA-N -1 3 397.906 3.987 20 0 GHADHM COc1c(Br)cc(F)cc1-c1noc(-c2c([O-])cccc2O)n1 ZINC001215301586 1029139956 /nfs/dbraw/zinc/13/99/56/1029139956.db2.gz APWNXNDJOQSSNA-UHFFFAOYSA-N -1 3 381.157 3.725 20 0 GHADHM COc1ncc(-c2noc(-c3cc([O-])ccc3Cl)n2)cc1Br ZINC001215347743 1029166210 /nfs/dbraw/zinc/16/62/10/1029166210.db2.gz JIOQOCKKLYYSPS-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM CC(=O)c1cc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)ccc1[O-] ZINC001215368143 1029177454 /nfs/dbraw/zinc/17/74/54/1029177454.db2.gz PXGQNKFETBSSNR-UHFFFAOYSA-N -1 3 375.388 3.509 20 0 GHADHM [O-]c1cc(F)c(Nc2cnc3c(Cl)nc(Br)cn23)cc1F ZINC001215572791 1029289133 /nfs/dbraw/zinc/28/91/33/1029289133.db2.gz WNNGSCSFSTUMKJ-UHFFFAOYSA-N -1 3 375.560 3.873 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC(C)C)c(OC)c1)OCC ZINC001216244571 1029581386 /nfs/dbraw/zinc/58/13/86/1029581386.db2.gz QLZVSAFUMVOYDH-UHFFFAOYSA-N -1 3 391.468 3.663 20 0 GHADHM [O-]c1cc(Br)cc(-c2nc(-c3cccc(C4OCCO4)c3)no2)c1 ZINC001216382981 1029620768 /nfs/dbraw/zinc/62/07/68/1029620768.db2.gz INTUEIXWGVSFTD-UHFFFAOYSA-N -1 3 389.205 3.917 20 0 GHADHM Cc1cc(C)c(Br)c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001142905576 1029667342 /nfs/dbraw/zinc/66/73/42/1029667342.db2.gz JDIUMFBKFIXOJL-UHFFFAOYSA-N -1 3 394.269 3.997 20 0 GHADHM Cc1cc(C)c(Br)c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001142905576 1029667345 /nfs/dbraw/zinc/66/73/45/1029667345.db2.gz JDIUMFBKFIXOJL-UHFFFAOYSA-N -1 3 394.269 3.997 20 0 GHADHM CCOC(=O)c1cnoc1[N-]c1ccc(C(=O)OC(C)(C)C(C)(C)O)cc1C ZINC001216515156 1029668670 /nfs/dbraw/zinc/66/86/70/1029668670.db2.gz HMUSJUDVMZIAJF-UHFFFAOYSA-N -1 3 390.436 3.610 20 0 GHADHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001143056364 1029817493 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20 0 GHADHM O=C(Nc1cnccc1OC(F)F)c1nc2ccc(Br)cc2[n-]1 ZINC001151821459 1031019256 /nfs/dbraw/zinc/01/92/56/1031019256.db2.gz PEXPWLQYSYCHPP-UHFFFAOYSA-N -1 3 383.152 3.574 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)no1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821360 1031019312 /nfs/dbraw/zinc/01/93/12/1031019312.db2.gz LPORMJPZTBHQLR-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)no1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821360 1031019327 /nfs/dbraw/zinc/01/93/27/1031019327.db2.gz LPORMJPZTBHQLR-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2nc3cc(Br)ccc3[n-]2)c(F)c1 ZINC001151827006 1031023913 /nfs/dbraw/zinc/02/39/13/1031023913.db2.gz SZDBTUXDENSVSZ-UHFFFAOYSA-N -1 3 376.185 3.919 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2nc3ccc(Br)cc3[n-]2)c(F)c1 ZINC001151827006 1031023926 /nfs/dbraw/zinc/02/39/26/1031023926.db2.gz SZDBTUXDENSVSZ-UHFFFAOYSA-N -1 3 376.185 3.919 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2CC)c([O-])c1 ZINC001153020117 1031432861 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ZINC001154147343 1031951376 /nfs/dbraw/zinc/95/13/76/1031951376.db2.gz UVRDCFAYLXPAJF-UHFFFAOYSA-N -1 3 393.321 3.629 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(C(F)(F)F)cc3OC)n[n-]c21 ZINC001154147343 1031951380 /nfs/dbraw/zinc/95/13/80/1031951380.db2.gz UVRDCFAYLXPAJF-UHFFFAOYSA-N -1 3 393.321 3.629 20 0 GHADHM O=C(N[C@H](c1ccncc1C(F)(F)F)C1CC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154212047 1031987135 /nfs/dbraw/zinc/98/71/35/1031987135.db2.gz GHNJDSNJBRFWNE-HNNXBMFYSA-N -1 3 376.338 3.563 20 0 GHADHM O=c1ccc2ccc([O-])c(O[C@@H]3COc4c3cccc4Br)c2o1 ZINC001226600634 1032036528 /nfs/dbraw/zinc/03/65/28/1032036528.db2.gz ZRXIAHKORZPUNG-CYBMUJFWSA-N -1 3 375.174 3.774 20 0 GHADHM O=c1ccc2ccc([O-])c(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)c2o1 ZINC001226600482 1032036606 /nfs/dbraw/zinc/03/66/06/1032036606.db2.gz XIEYMTWOFKYGAV-ZWXCPPHNSA-N -1 3 384.331 3.903 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154316360 1032038121 /nfs/dbraw/zinc/03/81/21/1032038121.db2.gz LWBHWFOUHIDKIM-UHFFFAOYSA-N -1 3 381.722 3.548 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154316360 1032038133 /nfs/dbraw/zinc/03/81/33/1032038133.db2.gz LWBHWFOUHIDKIM-UHFFFAOYSA-N -1 3 381.722 3.548 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc([O-])c2Br)[C@H](F)C1 ZINC001229139134 1033302572 /nfs/dbraw/zinc/30/25/72/1033302572.db2.gz FKVRJKJYQJTJLJ-ZYHUDNBSSA-N -1 3 390.249 3.881 20 0 GHADHM COc1cc2ccc(=O)oc2c(O[C@H]2CCCN(Cc3ccccc3F)C2)c1[O-] ZINC001229214536 1033346437 /nfs/dbraw/zinc/34/64/37/1033346437.db2.gz DUDYHEPOZBQKPD-INIZCTEOSA-N -1 3 399.418 3.690 20 0 GHADHM COc1cc2ccc(=O)oc2c(O[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)c1[O-] ZINC001229215856 1033348980 /nfs/dbraw/zinc/34/89/80/1033348980.db2.gz MLKYUEDZRMWGSR-GOEBONIOSA-N -1 3 396.443 3.507 20 0 GHADHM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O[C@@H]3CCc4nccn4C3)c21 ZINC001229229969 1033354611 /nfs/dbraw/zinc/35/46/11/1033354611.db2.gz OCJXOBBTIJYFQQ-AEFFLSMTSA-N -1 3 376.412 3.689 20 0 GHADHM CO[C@H](C)CO[C@@H](C)COc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267959 1033380379 /nfs/dbraw/zinc/38/03/79/1033380379.db2.gz XKEFYEPWJWEPIT-CABCVRRESA-N -1 3 384.428 3.984 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157100242 1033412844 /nfs/dbraw/zinc/41/28/44/1033412844.db2.gz QSDVQKFVGMQZLA-UHFFFAOYSA-N -1 3 376.463 3.721 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157100242 1033412852 /nfs/dbraw/zinc/41/28/52/1033412852.db2.gz QSDVQKFVGMQZLA-UHFFFAOYSA-N -1 3 376.463 3.721 20 0 GHADHM COc1cc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])sn1 ZINC001157174194 1033448013 /nfs/dbraw/zinc/44/80/13/1033448013.db2.gz DWNTXFOMHCNMOH-UHFFFAOYSA-N -1 3 382.485 3.915 20 0 GHADHM C[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233814 1033485584 /nfs/dbraw/zinc/48/55/84/1033485584.db2.gz LJHGEYYGHHNXCQ-JGVFFNPUSA-N -1 3 380.292 3.980 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3cccc([O-])c3Br)C2)Oc2ccccc21 ZINC001206269810 1033779458 /nfs/dbraw/zinc/77/94/58/1033779458.db2.gz GGHDUVQOVAFIAU-LJQANCHMSA-N -1 3 388.261 3.765 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(Cl)c(F)cc2Cl)c([O-])c(OC)c1 ZINC001158246080 1033985332 /nfs/dbraw/zinc/98/53/32/1033985332.db2.gz OVIQGACZRHPYED-UHFFFAOYSA-N -1 3 388.178 3.886 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001158344351 1034034582 /nfs/dbraw/zinc/03/45/82/1034034582.db2.gz CXQKGYMGQCIUES-UHFFFAOYSA-N -1 3 392.459 3.865 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001158344351 1034034596 /nfs/dbraw/zinc/03/45/96/1034034596.db2.gz CXQKGYMGQCIUES-UHFFFAOYSA-N -1 3 392.459 3.865 20 0 GHADHM CCn1c(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc2ccccc21 ZINC001158345584 1034036384 /nfs/dbraw/zinc/03/63/84/1034036384.db2.gz MWSSJGFZIGWOIZ-UHFFFAOYSA-N -1 3 388.427 3.994 20 0 GHADHM CCn1c(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc2ccccc21 ZINC001158345584 1034036401 /nfs/dbraw/zinc/03/64/01/1034036401.db2.gz MWSSJGFZIGWOIZ-UHFFFAOYSA-N -1 3 388.427 3.994 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1OC(c1ccc(C)cc1)c1ccc(C)cc1 ZINC001230491999 1034088234 /nfs/dbraw/zinc/08/82/34/1034088234.db2.gz DRBMWKGKCRYUAI-UHFFFAOYSA-N -1 3 378.428 3.683 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(Oc2[n-]c(=O)nc3cccc(Cl)c32)CC1 ZINC001230885095 1034270775 /nfs/dbraw/zinc/27/07/75/1034270775.db2.gz UUYHYFBEJSHKJX-UHFFFAOYSA-N -1 3 379.844 3.767 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OCc1cc(OC(C)C)ncc1F ZINC001231089791 1034390177 /nfs/dbraw/zinc/39/01/77/1034390177.db2.gz ZGSRZUMZNRXSEO-UHFFFAOYSA-N -1 3 384.791 3.518 20 0 GHADHM CCOC(=O)C[C@@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)c1ccccc1 ZINC001231090820 1034391794 /nfs/dbraw/zinc/39/17/94/1034391794.db2.gz MXAKVWAWHFHUHR-CYBMUJFWSA-N -1 3 393.823 3.691 20 0 GHADHM COc1ccccc1Oc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nc1 ZINC001159063969 1034409746 /nfs/dbraw/zinc/40/97/46/1034409746.db2.gz ZGDINSLRESFVKE-UHFFFAOYSA-N -1 3 376.372 3.717 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462361 1034605852 /nfs/dbraw/zinc/60/58/52/1034605852.db2.gz HUIASSZKGANGIT-LJQANCHMSA-N -1 3 380.510 3.812 20 0 GHADHM [O-]c1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1C(F)(F)F ZINC001231521798 1034671800 /nfs/dbraw/zinc/67/18/00/1034671800.db2.gz IMAOGSXJILNFIV-SZVBFZGTSA-N -1 3 385.426 3.960 20 0 GHADHM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231522988 1034674966 /nfs/dbraw/zinc/67/49/66/1034674966.db2.gz ODCBNFNMMJEWII-UHFFFAOYSA-N -1 3 397.393 3.985 20 0 GHADHM COc1cccc(OC2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)n1 ZINC001231525576 1034679309 /nfs/dbraw/zinc/67/93/09/1034679309.db2.gz ATMDPHIZWMQDKE-UHFFFAOYSA-N -1 3 382.382 3.858 20 0 GHADHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)cc1 ZINC001231527871 1034681113 /nfs/dbraw/zinc/68/11/13/1034681113.db2.gz UHUJTZOFNZNOEP-INIZCTEOSA-N -1 3 394.393 3.553 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)s1 ZINC001159716515 1034721404 /nfs/dbraw/zinc/72/14/04/1034721404.db2.gz UTQWIFIISFHRKC-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277549412 1034826858 /nfs/dbraw/zinc/82/68/58/1034826858.db2.gz ZZYKKLHXWFFHIU-AUUYWEPGSA-N -1 3 395.341 3.910 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccs2)n1 ZINC001231675495 1034826961 /nfs/dbraw/zinc/82/69/61/1034826961.db2.gz RKRIKRPZMVZFNH-MRXNPFEDSA-N -1 3 389.521 3.951 20 0 GHADHM COC[C@@H]1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])Cc2cn(C)nc21 ZINC001231676626 1034827482 /nfs/dbraw/zinc/82/74/82/1034827482.db2.gz KPVTUZDVTNDBDF-SFHVURJKSA-N -1 3 391.471 3.531 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CCN(Cc2ccncc2)CC1 ZINC001231679304 1034830153 /nfs/dbraw/zinc/83/01/53/1034830153.db2.gz YXOOKJUWAKKSQG-UHFFFAOYSA-N -1 3 387.483 3.765 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1(C)C ZINC001160028526 1034836411 /nfs/dbraw/zinc/83/64/11/1034836411.db2.gz HJRMAWSGUVSUFG-MRXNPFEDSA-N -1 3 382.382 3.933 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)c(-c2ccccc2)s1 ZINC001208263025 1034838311 /nfs/dbraw/zinc/83/83/11/1034838311.db2.gz MLDKDDPBPBDRBH-UHFFFAOYSA-N -1 3 388.514 3.784 20 0 GHADHM COc1ccc(N2C[C@@]3(CCN(Cc4ccc(Cl)c([O-])c4)C3)CC2=O)cc1 ZINC001231730929 1034867761 /nfs/dbraw/zinc/86/77/61/1034867761.db2.gz HRKLJEQMBKCLEF-NRFANRHFSA-N -1 3 386.879 3.683 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCC2)c1cc(Br)ccc1F ZINC001208369407 1034872873 /nfs/dbraw/zinc/87/28/73/1034872873.db2.gz GYXACYQUIHAFJK-UHFFFAOYSA-N -1 3 384.270 3.555 20 0 GHADHM O=c1cc(Nc2cc(Br)ncc2Br)nc(C2CC2)[n-]1 ZINC001215057203 1034879916 /nfs/dbraw/zinc/87/99/16/1034879916.db2.gz BOAIDTZKDLFGHM-UHFFFAOYSA-N -1 3 386.047 3.723 20 0 GHADHM COc1ccccc1OCC1CCN(Cc2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC001231755132 1034884487 /nfs/dbraw/zinc/88/44/87/1034884487.db2.gz JCFHHMXQINDXAJ-UHFFFAOYSA-N -1 3 385.460 3.693 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001208694622 1034982847 /nfs/dbraw/zinc/98/28/47/1034982847.db2.gz RKMJRBIHGUPMKJ-KRWDZBQOSA-N -1 3 376.865 3.899 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1c[nH]c2ncc(Cl)cc12)c1ccco1 ZINC001209024196 1035152314 /nfs/dbraw/zinc/15/23/14/1035152314.db2.gz ATLPPPRDOBFRDT-AWEZNQCLSA-N -1 3 397.884 3.502 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(-c3c[nH]nn3)c2)s1 ZINC001161143517 1035158123 /nfs/dbraw/zinc/15/81/23/1035158123.db2.gz LGQDPHARYOXDMQ-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c(C)s1 ZINC001161413358 1035225672 /nfs/dbraw/zinc/22/56/72/1035225672.db2.gz MUAGADHOUJCRJZ-UHFFFAOYSA-N -1 3 398.440 3.781 20 0 GHADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(CCC(C)C)cc1)c1ccccc1 ZINC001209333232 1035244312 /nfs/dbraw/zinc/24/43/12/1035244312.db2.gz QANHDDZZDROXHN-OAQYLSRUSA-N -1 3 389.517 3.642 20 0 GHADHM [O-]c1cc(Br)cnc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC001461956974 1069913637 /nfs/dbraw/zinc/91/36/37/1069913637.db2.gz RAHFJYOUZJEGQY-MRXNPFEDSA-N -1 3 377.282 3.731 20 0 GHADHM O=C(Nc1ccc2ccc(Cl)nc2n1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001161697459 1035286500 /nfs/dbraw/zinc/28/65/00/1035286500.db2.gz WSSZTPLIHWYRRT-UHFFFAOYSA-N -1 3 386.745 3.655 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c([O-])c1 ZINC001161769778 1035297177 /nfs/dbraw/zinc/29/71/77/1035297177.db2.gz SRSNKSTZLCCWLY-LRDDRELGSA-N -1 3 375.387 3.753 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(C)c1OCc1ccccc1 ZINC001209639416 1035340153 /nfs/dbraw/zinc/34/01/53/1035340153.db2.gz MTBRZILZBWUYAN-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(C)c1OCc1ccccc1 ZINC001209639416 1035340160 /nfs/dbraw/zinc/34/01/60/1035340160.db2.gz MTBRZILZBWUYAN-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM O=S(=O)(c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1F ZINC001241445324 1035584197 /nfs/dbraw/zinc/58/41/97/1035584197.db2.gz MKDQLCLEJXSQKD-UHFFFAOYSA-N -1 3 380.404 3.506 20 0 GHADHM O=S(=O)(c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1F ZINC001241445324 1035584217 /nfs/dbraw/zinc/58/42/17/1035584217.db2.gz MKDQLCLEJXSQKD-UHFFFAOYSA-N -1 3 380.404 3.506 20 0 GHADHM CCOc1cc(-c2noc([C@@H](N)Cc3ccc([O-])c(Cl)c3)n2)ccc1OC ZINC001248250294 1035699742 /nfs/dbraw/zinc/69/97/42/1035699742.db2.gz UUOKZRBSHBUFCB-AWEZNQCLSA-N -1 3 389.839 3.745 20 0 GHADHM O=C([O-])c1cc(Cl)c(-c2cncc([C@@H]3CN4CCC3CC4)n2)c(Cl)c1 ZINC001244515852 1036528444 /nfs/dbraw/zinc/52/84/44/1036528444.db2.gz VVDVNUAVXLYIBG-GFCCVEGCSA-N -1 3 378.259 3.958 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(-c2cc(Br)ncc2Br)c1 ZINC001244735203 1036619972 /nfs/dbraw/zinc/61/99/72/1036619972.db2.gz ORXVKGKRYYDWTL-UHFFFAOYSA-N -1 3 399.021 3.593 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(-c2cc(Br)ncc2Br)c1 ZINC001244735203 1036620005 /nfs/dbraw/zinc/62/00/05/1036620005.db2.gz ORXVKGKRYYDWTL-UHFFFAOYSA-N -1 3 399.021 3.593 20 0 GHADHM CCCC[C@@H](CC)CN1CCO[C@H]2CN(Cc3sccc3C(=O)[O-])C[C@H]21 ZINC001278455429 1037484716 /nfs/dbraw/zinc/48/47/16/1037484716.db2.gz IMUYWOIZRMBCBX-NXHRZFHOSA-N -1 3 380.554 3.548 20 0 GHADHM O=C1SCCN1Cc1ccccc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247565649 1038251372 /nfs/dbraw/zinc/25/13/72/1038251372.db2.gz ZYWHDCQTMQCLHJ-UHFFFAOYSA-N -1 3 385.420 3.841 20 0 GHADHM Cc1cccc(CO[C@H]2CO[C@@]3(CCN(Cc4cccc([O-])c4Cl)C3)C2)n1 ZINC001232787861 1038555767 /nfs/dbraw/zinc/55/57/67/1038555767.db2.gz SXKHUWZJBYPGNB-NQIIRXRSSA-N -1 3 388.895 3.699 20 0 GHADHM O=C(NC1CCN(Cc2cccc([O-])c2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001233055421 1038817120 /nfs/dbraw/zinc/81/71/20/1038817120.db2.gz PHAZSRVOLXCSLT-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001252199054 1038903262 /nfs/dbraw/zinc/90/32/62/1038903262.db2.gz WTWOQZWNRCTOFC-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM COCCN1c2ccccc2C2(CCN(Cc3ccc([S-])cc3)CC2)C1=O ZINC001233260723 1039031124 /nfs/dbraw/zinc/03/11/24/1039031124.db2.gz OTQKUVHLRDQYPA-UHFFFAOYSA-N -1 3 382.529 3.502 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1F ZINC001233394556 1039227308 /nfs/dbraw/zinc/22/73/08/1039227308.db2.gz RUQXTQLNMBEPGH-INIZCTEOSA-N -1 3 381.463 3.716 20 0 GHADHM [O-]c1ccc(F)c(CN2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c1F ZINC001233393677 1039227398 /nfs/dbraw/zinc/22/73/98/1039227398.db2.gz GUPNUDGGKNNFRK-YMRXKLBXSA-N -1 3 378.444 3.966 20 0 GHADHM Cn1cnc2c1[C@H](COCC1CCCC1)CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233394313 1039228401 /nfs/dbraw/zinc/22/84/01/1039228401.db2.gz JPUAKWCBBCKBNB-HNNXBMFYSA-N -1 3 391.462 3.710 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001233445682 1039330226 /nfs/dbraw/zinc/33/02/26/1039330226.db2.gz PKQIDNVWDWSXIR-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC001253679907 1039763276 /nfs/dbraw/zinc/76/32/76/1039763276.db2.gz YKWSLHZHSXDASD-DOTOQJQBSA-N -1 3 384.348 3.757 20 0 GHADHM Cc1nn(-c2ccccc2)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1Cl ZINC001278748414 1039904912 /nfs/dbraw/zinc/90/49/12/1039904912.db2.gz MVDRKTXILWUFSR-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM COC(=O)[C@@H]1CCC[C@@H]1Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380159 1039992061 /nfs/dbraw/zinc/99/20/61/1039992061.db2.gz SGEDTSRIKMIKAS-QAPCUYQASA-N -1 3 380.396 3.886 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1c([O-])cc(Cl)cc1F)CCO2 ZINC001234446386 1040039615 /nfs/dbraw/zinc/03/96/15/1040039615.db2.gz DJTGIFKAMMNGGN-GFCCVEGCSA-N -1 3 387.835 3.732 20 0 GHADHM COc1cccnc1C(=O)[N-]c1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001278777826 1040177206 /nfs/dbraw/zinc/17/72/06/1040177206.db2.gz MFMGJWKAECJUNL-UHFFFAOYSA-N -1 3 380.351 3.880 20 0 GHADHM COc1cc(OC[C@@H]2CCCO2)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234783639 1040314380 /nfs/dbraw/zinc/31/43/80/1040314380.db2.gz GMEWNJGGMMHLKO-ZDUSSCGKSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1C(C)=O ZINC001234792002 1040323171 /nfs/dbraw/zinc/32/31/71/1040323171.db2.gz VTFBHOJKCKTZDX-BZNIZROVSA-N -1 3 379.453 3.546 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(Cl)cc1 ZINC001255353918 1040958485 /nfs/dbraw/zinc/95/84/85/1040958485.db2.gz PRZAGCKXYSFKLF-KRWDZBQOSA-N -1 3 381.881 3.656 20 0 GHADHM Cc1cc(Cl)ccc1-c1nnc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)o1 ZINC001255355823 1040959348 /nfs/dbraw/zinc/95/93/48/1040959348.db2.gz OLSWYMIXFFTMGH-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001255869471 1041357962 /nfs/dbraw/zinc/35/79/62/1041357962.db2.gz MUWKFISDZXLZLB-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1ccc(C(F)(F)F)cc1 ZINC001255930759 1041419689 /nfs/dbraw/zinc/41/96/89/1041419689.db2.gz KKZUFDUMTVOHAY-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2OC(F)(F)F)c1ccc(F)cc1F ZINC001256098746 1041526032 /nfs/dbraw/zinc/52/60/32/1041526032.db2.gz WWKLUWBSBCILFG-CYBMUJFWSA-N -1 3 393.333 3.829 20 0 GHADHM CC(=O)N1CCCC[C@]12CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683433 1041829745 /nfs/dbraw/zinc/82/97/45/1041829745.db2.gz CUWJRFOLKORSQJ-GOSISDBHSA-N -1 3 381.314 3.522 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236686847 1041831209 /nfs/dbraw/zinc/83/12/09/1041831209.db2.gz GXVBMLHRXIAFMH-UHFFFAOYSA-N -1 3 399.329 3.986 20 0 GHADHM COc1cccc(O[C@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)n1 ZINC001236694794 1041836511 /nfs/dbraw/zinc/83/65/11/1041836511.db2.gz IHPBURPWJASHHQ-AWEZNQCLSA-N -1 3 393.281 3.602 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)ccc1F ZINC001236702329 1041841964 /nfs/dbraw/zinc/84/19/64/1041841964.db2.gz PLFWFNXPZOPEOS-IBGZPJMESA-N -1 3 377.410 3.664 20 0 GHADHM CCCNC(=O)c1ccccc1OC1CCN(Cc2ccc(F)c([O-])c2)CC1 ZINC001236712210 1041849491 /nfs/dbraw/zinc/84/94/91/1041849491.db2.gz ADUZFINNQFTWPM-UHFFFAOYSA-N -1 3 386.467 3.715 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237147524 1042064642 /nfs/dbraw/zinc/06/46/42/1042064642.db2.gz AQTVGXXLDNECEZ-KRWDZBQOSA-N -1 3 387.933 3.868 20 0 GHADHM O=S(=O)([N-]c1cccc2c1CNC2)c1cc(Br)c(Cl)s1 ZINC001237706955 1042334879 /nfs/dbraw/zinc/33/48/79/1042334879.db2.gz VFPJWIIKNQKDNG-UHFFFAOYSA-N -1 3 393.715 3.568 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(Br)c3ccccc3c2)cc1 ZINC001237824600 1042387354 /nfs/dbraw/zinc/38/73/54/1042387354.db2.gz APVBXWBEKGWUQR-UHFFFAOYSA-N -1 3 377.263 3.985 20 0 GHADHM Nc1ccc(-c2cccs2)cc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001237956374 1042437322 /nfs/dbraw/zinc/43/73/22/1042437322.db2.gz ACVUMLLDEFIGLM-UHFFFAOYSA-N -1 3 396.497 3.984 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001238234276 1042527444 /nfs/dbraw/zinc/52/74/44/1042527444.db2.gz GMTSFSRCNYEPDC-JOCHJYFZSA-N -1 3 386.442 3.904 20 0 GHADHM [O-]c1ccc(Br)c(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1F ZINC001238311307 1042552334 /nfs/dbraw/zinc/55/23/34/1042552334.db2.gz MDMSNIHBNSZGFJ-OKILXGFUSA-N -1 3 391.284 3.862 20 0 GHADHM CCCc1ccc([C@H]([N-]S(=O)(=O)Cc2noc(C)n2)c2cccs2)cc1 ZINC001462738616 1070511852 /nfs/dbraw/zinc/51/18/52/1070511852.db2.gz HEJHEKRIXMKRCZ-SFHVURJKSA-N -1 3 391.518 3.601 20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432049 1043730934 /nfs/dbraw/zinc/73/09/34/1043730934.db2.gz BATAFYINLBOJOK-YJBOKZPZSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432049 1043730950 /nfs/dbraw/zinc/73/09/50/1043730950.db2.gz BATAFYINLBOJOK-YJBOKZPZSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@@H](Nc1nc(C(F)F)nc2ccccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001307153713 1043932691 /nfs/dbraw/zinc/93/26/91/1043932691.db2.gz OPYXLQHQCYZFAZ-WDEREUQCSA-N -1 3 387.390 3.743 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ncccn2)cc1)c1cccc(Cl)c1Cl ZINC001257300922 1043961593 /nfs/dbraw/zinc/96/15/93/1043961593.db2.gz XABSHSZTDAIQHQ-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nnc([C@@H]3C[C@H]3c3ccc(C)cc3)o2)c1C ZINC001257335717 1043967043 /nfs/dbraw/zinc/96/70/43/1043967043.db2.gz SWIIJLVCCFSJLX-RBUKOAKNSA-N -1 3 375.428 3.901 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1ccccc1OC(F)(F)F ZINC001257989443 1044319325 /nfs/dbraw/zinc/31/93/25/1044319325.db2.gz CSOKACPERGHQCH-UHFFFAOYSA-N -1 3 381.759 3.532 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001462817618 1070568808 /nfs/dbraw/zinc/56/88/08/1070568808.db2.gz RESHBFBRTAEQCE-MNOVXSKESA-N -1 3 379.931 3.744 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccc(F)cc1 ZINC001258485336 1044577072 /nfs/dbraw/zinc/57/70/72/1044577072.db2.gz BWLDQTRVLUNHOW-HNNXBMFYSA-N -1 3 385.892 3.731 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1c2ccccc2CCc2ccccc21 ZINC001258762497 1044751709 /nfs/dbraw/zinc/75/17/09/1044751709.db2.gz ZGIZSUAYHSTTFB-UHFFFAOYSA-N -1 3 382.485 3.500 20 0 GHADHM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(C)cc(CN(C)C)c3)n2)c1 ZINC001295088078 1044909574 /nfs/dbraw/zinc/90/95/74/1044909574.db2.gz GWUTZRYAGBQIGB-UHFFFAOYSA-N -1 3 382.439 3.648 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccccc1-c1cccnc1)C(=O)C2 ZINC001258987431 1044919815 /nfs/dbraw/zinc/91/98/15/1044919815.db2.gz KUYYYBMMUMEJTD-IIBYNOLFSA-N -1 3 384.501 3.886 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cnccc21)c1ccc(Br)s1 ZINC001259062112 1044943017 /nfs/dbraw/zinc/94/30/17/1044943017.db2.gz NHPFTKRBJAKQAJ-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC001259101012 1044962028 /nfs/dbraw/zinc/96/20/28/1044962028.db2.gz WZDKMRWFIBROLS-UHFFFAOYSA-N -1 3 388.533 3.751 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)c(F)c2)cc1C ZINC001259167063 1044987995 /nfs/dbraw/zinc/98/79/95/1044987995.db2.gz SDTCORNGUCDYIX-MRXNPFEDSA-N -1 3 379.453 3.801 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)n[nH]1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001295374428 1044991918 /nfs/dbraw/zinc/99/19/18/1044991918.db2.gz MCNDCZKCSVNBHJ-UHFFFAOYSA-N -1 3 377.322 3.965 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(Br)cccc2C(C)=O)cc1 ZINC001259178228 1044994416 /nfs/dbraw/zinc/99/44/16/1044994416.db2.gz GMAGVCZEESIXDQ-UHFFFAOYSA-N -1 3 396.262 3.655 20 0 GHADHM CCOC(=O)/C=C(\[N-]S(=O)(=O)c1ccccc1-c1ccccc1)C(F)(F)F ZINC001259336405 1045086755 /nfs/dbraw/zinc/08/67/55/1045086755.db2.gz GMMHKBUFQUOCKP-VBKFSLOCSA-N -1 3 399.390 3.641 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccccc1-c1ccccc1)C(=O)N2 ZINC001259337155 1045088300 /nfs/dbraw/zinc/08/83/00/1045088300.db2.gz VCIVEDZCLUVPHY-HXUWFJFHSA-N -1 3 378.453 3.634 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC001259369009 1045102827 /nfs/dbraw/zinc/10/28/27/1045102827.db2.gz JSKHTIOJWULIQK-UHFFFAOYSA-N -1 3 396.241 3.575 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001259369618 1045104570 /nfs/dbraw/zinc/10/45/70/1045104570.db2.gz LHUKZOCOZSAJNS-UHFFFAOYSA-N -1 3 399.806 3.928 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2Br)cc1 ZINC001259401764 1045125008 /nfs/dbraw/zinc/12/50/08/1045125008.db2.gz FBZCHWVMCVCINZ-UHFFFAOYSA-N -1 3 389.246 3.571 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2)cc1 ZINC001259406633 1045128682 /nfs/dbraw/zinc/12/86/82/1045128682.db2.gz GCJOQSHPFAJIQX-UHFFFAOYSA-N -1 3 385.445 3.857 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccc(Cl)c1)c1cccc(Cl)c1F ZINC001259471619 1045184058 /nfs/dbraw/zinc/18/40/58/1045184058.db2.gz JBZNUYIWHAQDPQ-ZDUSSCGKSA-N -1 3 378.252 3.535 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(F)cc1Cl ZINC001259480616 1045191894 /nfs/dbraw/zinc/19/18/94/1045191894.db2.gz LDHVBTVUBFTFCA-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=C(NCc1cccnc1OCC(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295940626 1045197453 /nfs/dbraw/zinc/19/74/53/1045197453.db2.gz DOZXNVJXWDQLDR-UHFFFAOYSA-N -1 3 398.409 3.952 20 0 GHADHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)co2)c1 ZINC001259515601 1045217542 /nfs/dbraw/zinc/21/75/42/1045217542.db2.gz MLKJKITWXKJOLK-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ncccc2C(F)(F)F)C2CC2)c1 ZINC001259641326 1045255043 /nfs/dbraw/zinc/25/50/43/1045255043.db2.gz PLVODIJUPFROIS-OAHLLOKOSA-N -1 3 388.386 3.978 20 0 GHADHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1cnc(Br)c(Cl)c1 ZINC001259754691 1045288118 /nfs/dbraw/zinc/28/81/18/1045288118.db2.gz WTADIJYOLUEUEE-UHFFFAOYSA-N -1 3 393.665 3.621 20 0 GHADHM CC1(C)CCc2sc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)nc21 ZINC001299636676 1045345863 /nfs/dbraw/zinc/34/58/63/1045345863.db2.gz KGSCERZAGWSXPP-UHFFFAOYSA-N -1 3 375.400 3.739 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Br)c2ccncc12 ZINC001260093421 1045380619 /nfs/dbraw/zinc/38/06/19/1045380619.db2.gz HHFDDTHWVSLFOC-UHFFFAOYSA-N -1 3 393.262 3.812 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001297095212 1045448324 /nfs/dbraw/zinc/44/83/24/1045448324.db2.gz YKYIXPQHKNQEGF-MGPLVRAMSA-N -1 3 392.764 3.885 20 0 GHADHM C[C@H](CCc1ccc(I)cc1)NC(=O)c1ccccc1[O-] ZINC001297281935 1045491284 /nfs/dbraw/zinc/49/12/84/1045491284.db2.gz VTHOIEZAUCOXME-GFCCVEGCSA-N -1 3 395.240 3.748 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1OC(F)(F)F ZINC001260452680 1045498414 /nfs/dbraw/zinc/49/84/14/1045498414.db2.gz PDBTYBKMDUERNG-UHFFFAOYSA-N -1 3 399.346 3.801 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1c(O)cc(F)cc1F ZINC001260461062 1045502522 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O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001290405517 1049830558 /nfs/dbraw/zinc/83/05/58/1049830558.db2.gz SATRSKAVCYKZNT-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001290405517 1049830573 /nfs/dbraw/zinc/83/05/73/1049830573.db2.gz SATRSKAVCYKZNT-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCCCC)c(OC)c2)c1 ZINC001290933633 1049955360 /nfs/dbraw/zinc/95/53/60/1049955360.db2.gz NBEVHFIETOIDMZ-UHFFFAOYSA-N -1 3 398.459 3.634 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@]2(C)CN(Cc3c(F)ccc([O-])c3F)C[C@@]2(C)C1 ZINC001308888116 1050140992 /nfs/dbraw/zinc/14/09/92/1050140992.db2.gz LPVCOMUFVURUCD-BGYRXZFFSA-N -1 3 382.451 3.749 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccc(Cl)cn1 ZINC001327872302 1050306473 /nfs/dbraw/zinc/30/64/73/1050306473.db2.gz OFHIPVUZAFJLNG-MRVPVSSYSA-N -1 3 393.665 3.676 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)c(F)c1 ZINC001309112320 1050368238 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3 380.391 3.632 20 0 GHADHM Cc1nc(CSCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cs1 ZINC001343601821 1053918757 /nfs/dbraw/zinc/91/87/57/1053918757.db2.gz LDAQQLFJIMWWFP-UHFFFAOYSA-N -1 3 385.474 3.855 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC001317948816 1054324031 /nfs/dbraw/zinc/32/40/31/1054324031.db2.gz VTCIXVTWCRBRFO-UHFFFAOYSA-N -1 3 376.460 3.698 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001317965390 1054331524 /nfs/dbraw/zinc/33/15/24/1054331524.db2.gz AVGTXUGHKBQPOU-UHFFFAOYSA-N -1 3 396.535 3.506 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cn(-c2ccc(Br)cc2)nn1 ZINC001318419102 1054626383 /nfs/dbraw/zinc/62/63/83/1054626383.db2.gz FOPNLYRKKKMGLE-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM CC[C@@H]1c2ccccc2CN1c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCCCO1 ZINC001345545039 1055094061 /nfs/dbraw/zinc/09/40/61/1055094061.db2.gz CBPYFSRFHDOOQZ-MAUKXSAKSA-N -1 3 395.463 3.679 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001319287583 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GHADHM CCc1c(C(=O)[N-]c2nc(-c3ccccc3)ns2)nnn1Cc1ccccc1 ZINC001354190492 1056410492 /nfs/dbraw/zinc/41/04/92/1056410492.db2.gz LENIZJFPRPRQRP-UHFFFAOYSA-N -1 3 390.472 3.660 20 0 GHADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000848128663 1056725819 /nfs/dbraw/zinc/72/58/19/1056725819.db2.gz FXPLZKFDZAPGKU-UHFFFAOYSA-N -1 3 380.278 3.609 20 0 GHADHM C[C@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)C(F)F)sc2C1 ZINC001322578976 1056760594 /nfs/dbraw/zinc/76/05/94/1056760594.db2.gz YMTHIWVNWDCZPN-ZETCQYMHSA-N -1 3 392.474 3.578 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC000848159913 1056782541 /nfs/dbraw/zinc/78/25/41/1056782541.db2.gz LURPEYSJTSUCFU-MAUKXSAKSA-N -1 3 392.249 3.906 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1N1CCCC1=O ZINC001323691330 1057001274 /nfs/dbraw/zinc/00/12/74/1057001274.db2.gz QIXVYLHZEJLNIR-UHFFFAOYSA-N -1 3 375.222 3.534 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001323734606 1057006297 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20 0 GHADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001475198571 1057313270 /nfs/dbraw/zinc/31/32/70/1057313270.db2.gz YEJRZOQHLKDGOG-UWVGGRQHSA-N -1 3 394.440 3.531 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001326066803 1057407386 /nfs/dbraw/zinc/40/73/86/1057407386.db2.gz QUGVRHIHJRBVME-UHFFFAOYSA-N -1 3 388.464 3.695 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC001326332753 1057458252 /nfs/dbraw/zinc/45/82/52/1057458252.db2.gz HOLXWINHIVXFMS-CQSZACIVSA-N -1 3 386.851 3.705 20 0 GHADHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1=O ZINC001337630655 1058194234 /nfs/dbraw/zinc/19/42/34/1058194234.db2.gz MJPHPCHIXPKPCZ-KBPBESRZSA-N -1 3 393.447 3.570 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3nc(Cl)ccc3Cl)nc21 ZINC001439998286 1058381368 /nfs/dbraw/zinc/38/13/68/1058381368.db2.gz PCFMXNGKZGOGGY-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001440910400 1058656483 /nfs/dbraw/zinc/65/64/83/1058656483.db2.gz WYXAFCFKJCPJDN-YPMHNXCESA-N -1 3 377.282 3.941 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(F)cc3NC(C)=O)c2)n1 ZINC001441561228 1058817332 /nfs/dbraw/zinc/81/73/32/1058817332.db2.gz NTJAVTXMZSMXOB-UHFFFAOYSA-N -1 3 394.406 3.761 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)nc(NC4CC4)c3)c2)n1 ZINC001441567542 1058819239 /nfs/dbraw/zinc/81/92/39/1058819239.db2.gz XHNZAFYGQLCVTJ-UHFFFAOYSA-N -1 3 389.459 3.942 20 0 GHADHM O=C(NCc1ccc(Br)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001441967363 1058897586 /nfs/dbraw/zinc/89/75/86/1058897586.db2.gz NAQBRIRPJPLNQE-UHFFFAOYSA-N -1 3 391.652 3.874 20 0 GHADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001442661222 1058989843 /nfs/dbraw/zinc/98/98/43/1058989843.db2.gz UMOVYOGCPXRANL-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001442661222 1058989844 /nfs/dbraw/zinc/98/98/44/1058989844.db2.gz UMOVYOGCPXRANL-UHFFFAOYSA-N 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Cc1ccc(C[C@H](CO)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001447731063 1060012787 /nfs/dbraw/zinc/01/27/87/1060012787.db2.gz TYLZURHDOLCQBF-JOCHJYFZSA-N -1 3 389.495 3.819 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC001448404004 1060178412 /nfs/dbraw/zinc/17/84/12/1060178412.db2.gz MARDPEDNFLWMCU-QGZVFWFLSA-N -1 3 376.497 3.720 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449183209 1060349462 /nfs/dbraw/zinc/34/94/62/1060349462.db2.gz ASLYPSVSWINVAD-LNLFQRSKSA-N -1 3 397.519 3.772 20 0 GHADHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001449267034 1060368336 /nfs/dbraw/zinc/36/83/36/1060368336.db2.gz UAQFXWVJNGZBEY-AUUYWEPGSA-N -1 3 393.405 3.969 20 0 GHADHM Cc1ccccc1C1=NO[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC001450224769 1060554681 /nfs/dbraw/zinc/55/46/81/1060554681.db2.gz HJKGAPGJSZYTGX-INIZCTEOSA-N -1 3 389.249 3.903 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)n[nH]c1C(F)(F)F ZINC001450230345 1060558467 /nfs/dbraw/zinc/55/84/67/1060558467.db2.gz XCFMASSVUYMVMN-UHFFFAOYSA-N -1 3 378.148 3.766 20 0 GHADHM Cc1ccc(C)n1-c1sccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001451227711 1060752203 /nfs/dbraw/zinc/75/22/03/1060752203.db2.gz RZTGZUIRLWDFAJ-UHFFFAOYSA-N -1 3 382.424 3.727 20 0 GHADHM Cc1ccc(C)n1-c1sccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001451227711 1060752223 /nfs/dbraw/zinc/75/22/23/1060752223.db2.gz RZTGZUIRLWDFAJ-UHFFFAOYSA-N -1 3 382.424 3.727 20 0 GHADHM CC(C)(C)c1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC001341596995 1060766682 /nfs/dbraw/zinc/76/66/82/1060766682.db2.gz ACHUKJOEYCQXGV-UHFFFAOYSA-N -1 3 375.425 3.974 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)C=Cc3cccc(OC4CCCC4)c3)c2c(=O)n1C ZINC001452046152 1060887873 /nfs/dbraw/zinc/88/78/73/1060887873.db2.gz APOYJNBVQUNVLT-ZHACJKMWSA-N -1 3 392.459 3.543 20 0 GHADHM O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)c1cc2c(cc1[O-])OCO2 ZINC001452144215 1060906041 /nfs/dbraw/zinc/90/60/41/1060906041.db2.gz ISBZEOXJAOSGCV-UHFFFAOYSA-N -1 3 375.793 3.545 20 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20 0 GHADHM CN(C)[C@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1cccc(F)c1 ZINC001457463554 1063198809 /nfs/dbraw/zinc/19/88/09/1063198809.db2.gz KZWBSGHBBJKQHL-QGZVFWFLSA-N -1 3 387.842 3.766 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc21 ZINC001457518176 1063221203 /nfs/dbraw/zinc/22/12/03/1063221203.db2.gz RMCKPPVNHYVZMF-ZDUSSCGKSA-N -1 3 395.419 3.542 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc21 ZINC001457518173 1063222338 /nfs/dbraw/zinc/22/23/38/1063222338.db2.gz RMCKPPVNHYVZMF-CYBMUJFWSA-N -1 3 395.419 3.542 20 0 GHADHM Cc1ccc(SC2(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CCCC2)cc1 ZINC001457681019 1063309909 /nfs/dbraw/zinc/30/99/09/1063309909.db2.gz MDGIJFRPPQDCLW-UHFFFAOYSA-N -1 3 394.496 3.714 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(-c2ccco2)nc2ccc(C)cc21 ZINC001436231891 1063312718 /nfs/dbraw/zinc/31/27/18/1063312718.db2.gz ZIMBUFOFQIJSLY-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(-c2ccco2)nc2ccc(C)cc21 ZINC001436231891 1063312738 /nfs/dbraw/zinc/31/27/38/1063312738.db2.gz ZIMBUFOFQIJSLY-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM COc1cccc(Oc2ccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)nc2)c1 ZINC001457687772 1063313274 /nfs/dbraw/zinc/31/32/74/1063313274.db2.gz MOKQHZFKWJTIGK-UHFFFAOYSA-N -1 3 391.387 3.821 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(C)cc2N2CCOCC2)c([O-])c1 ZINC001457696459 1063318122 /nfs/dbraw/zinc/31/81/22/1063318122.db2.gz XOQLUCYWHVMMGC-UHFFFAOYSA-N -1 3 398.503 3.646 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c([O-])c1 ZINC001457708530 1063322516 /nfs/dbraw/zinc/32/25/16/1063322516.db2.gz ZPRZEAPDLWXZFC-INIZCTEOSA-N -1 3 385.460 3.823 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@H]1COc2c1cccc2Cl ZINC001457753678 1063348040 /nfs/dbraw/zinc/34/80/40/1063348040.db2.gz JFXTXVWNJPMOFV-HNNXBMFYSA-N -1 3 380.778 3.640 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnc(C(=O)[N-]c2cc(-c3cccs3)on2)cn1 ZINC001457926396 1063447592 /nfs/dbraw/zinc/44/75/92/1063447592.db2.gz XCGBPDXMZXNJAV-UHFFFAOYSA-N -1 3 387.421 3.792 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1F ZINC001436650396 1063594371 /nfs/dbraw/zinc/59/43/71/1063594371.db2.gz XHILXJLTKDARGZ-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1F ZINC001436650396 1063594378 /nfs/dbraw/zinc/59/43/78/1063594378.db2.gz XHILXJLTKDARGZ-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC(C)COc1ncccc1C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC001436879522 1063690997 /nfs/dbraw/zinc/69/09/97/1063690997.db2.gz DMSVLPPOEHFXQS-UHFFFAOYSA-N -1 3 386.452 3.950 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001349651777 1063849431 /nfs/dbraw/zinc/84/94/31/1063849431.db2.gz YSKIWZWYQBYTKU-UHFFFAOYSA-N -1 3 381.398 3.580 20 0 GHADHM CN(C)c1ccccc1CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001459182959 1064017109 /nfs/dbraw/zinc/01/71/09/1064017109.db2.gz WOYQINFXHNOGHT-UHFFFAOYSA-N -1 3 391.500 3.939 20 0 GHADHM O=C([N-][C@@H](CO)Cc1ccc(O)cc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001546108309 1064070953 /nfs/dbraw/zinc/07/09/53/1064070953.db2.gz WSPRUHDMPPCEQW-GFCCVEGCSA-N -1 3 390.213 3.511 20 0 GHADHM CCN(CCOc1ccc(Br)cc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC001459581892 1064134126 /nfs/dbraw/zinc/13/41/26/1064134126.db2.gz WZDSPUIQUZQLDH-CYBMUJFWSA-N -1 3 380.286 3.715 20 0 GHADHM C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001463390001 1064305474 /nfs/dbraw/zinc/30/54/74/1064305474.db2.gz VRGMSRLBBHQKQL-SNVBAGLBSA-N -1 3 379.350 3.893 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC001463420553 1064333554 /nfs/dbraw/zinc/33/35/54/1064333554.db2.gz ICBGUNRYUGDKQT-CYBMUJFWSA-N -1 3 381.416 3.509 20 0 GHADHM C[C@](O)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C1CCCCC1 ZINC001463521673 1064432072 /nfs/dbraw/zinc/43/20/72/1064432072.db2.gz KCZLCCWGTABMFR-INIZCTEOSA-N -1 3 388.942 3.559 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(Br)n1 ZINC001463638077 1064518397 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3.786 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)c2ccc(C)c(C)c2)cc1OC ZINC000847135784 1064754081 /nfs/dbraw/zinc/75/40/81/1064754081.db2.gz XCIDSBGBXIRVRJ-UHFFFAOYSA-N -1 3 391.493 3.742 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCc2ccoc2)c(Br)c1 ZINC001464081163 1064806408 /nfs/dbraw/zinc/80/64/08/1064806408.db2.gz CIZQJZJTVAQQBX-UHFFFAOYSA-N -1 3 378.675 3.525 20 0 GHADHM C[C@H](Cc1ccccc1F)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001464404943 1064990907 /nfs/dbraw/zinc/99/09/07/1064990907.db2.gz VHTKZJIADPBJEX-LLVKDONJSA-N -1 3 379.457 3.990 20 0 GHADHM CO[C@@H](CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1 ZINC001464410770 1064993923 /nfs/dbraw/zinc/99/39/23/1064993923.db2.gz IEYBDTHFPSOTEY-ZDUSSCGKSA-N -1 3 377.466 3.608 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)s1)c1cccnc1C(F)(F)F ZINC001464415095 1064995286 /nfs/dbraw/zinc/99/52/86/1064995286.db2.gz MYCNFCDFGNNVOG-UHFFFAOYSA-N -1 3 390.330 3.659 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC[C@H]1C=CCC1 ZINC001464416133 1064996029 /nfs/dbraw/zinc/99/60/29/1064996029.db2.gz QUUGIFXLKUNRSE-ZDUSSCGKSA-N -1 3 379.503 3.713 20 0 GHADHM O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc2c(cc1[O-])OCO2 ZINC001464438284 1065009087 /nfs/dbraw/zinc/00/90/87/1065009087.db2.gz DCHJPKVGABJACU-UHFFFAOYSA-N -1 3 383.350 3.919 20 0 GHADHM CC(C)(CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc2c(c1)OCO2 ZINC001464522665 1065062023 /nfs/dbraw/zinc/06/20/23/1065062023.db2.gz MUJLFSDXTUXEPX-UHFFFAOYSA-N -1 3 398.846 3.618 20 0 GHADHM COc1ccc(C(C)(C)CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001464538097 1065069825 /nfs/dbraw/zinc/06/98/25/1065069825.db2.gz RYEOWXRHIULCJN-UHFFFAOYSA-N -1 3 384.863 3.898 20 0 GHADHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464742295 1065185542 /nfs/dbraw/zinc/18/55/42/1065185542.db2.gz PSARIJYRZHGCBD-UHFFFAOYSA-N -1 3 393.321 3.947 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)c(C)s2)no1 ZINC001352694089 1065233458 /nfs/dbraw/zinc/23/34/58/1065233458.db2.gz BOHYZGDIJPVTHJ-UHFFFAOYSA-N -1 3 377.809 3.799 20 0 GHADHM O=S(=O)([N-]CCCc1ccsc1)c1ccc(Br)cc1F ZINC001464855175 1065246762 /nfs/dbraw/zinc/24/67/62/1065246762.db2.gz UIKAWTAQGQDYKD-UHFFFAOYSA-N -1 3 378.288 3.561 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001464882149 1065258139 /nfs/dbraw/zinc/25/81/39/1065258139.db2.gz GPILYXPRCUIHAN-DFSFMLJYSA-N -1 3 387.892 3.570 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001464882153 1065258272 /nfs/dbraw/zinc/25/82/72/1065258272.db2.gz GPILYXPRCUIHAN-KFXIKWRMSA-N -1 3 387.892 3.570 20 0 GHADHM O=C(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])OCc1ccccc1 ZINC001465800720 1065865458 /nfs/dbraw/zinc/86/54/58/1065865458.db2.gz ZOBLCXNLWDRBJQ-UHFFFAOYSA-N -1 3 389.451 3.846 20 0 GHADHM COC(=O)c1sccc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC001466300067 1066080448 /nfs/dbraw/zinc/08/04/48/1066080448.db2.gz LSEPYNCYYCEFEC-UHFFFAOYSA-N -1 3 379.850 3.959 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=S)Nc1ncc(Br)[n-]c1=O ZINC001200409010 1066126696 /nfs/dbraw/zinc/12/66/96/1066126696.db2.gz OMDRWSPYLGGRDD-UHFFFAOYSA-N -1 3 381.299 3.773 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC001466631289 1066223320 /nfs/dbraw/zinc/22/33/20/1066223320.db2.gz JGCAKRNYBZVFPF-UHFFFAOYSA-N -1 3 389.839 3.991 20 0 GHADHM Cc1cc(C(F)(F)F)nc(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC001466631895 1066224008 /nfs/dbraw/zinc/22/40/08/1066224008.db2.gz BOVRUMFWEIEJMO-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM CC(C)(C)OC1CC(CCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001466884396 1066365511 /nfs/dbraw/zinc/36/55/11/1066365511.db2.gz UTTZSKQBKUEQDI-UHFFFAOYSA-N -1 3 376.884 3.895 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccnc(Cl)c4s3)nc21 ZINC001357295915 1067035203 /nfs/dbraw/zinc/03/52/03/1067035203.db2.gz OXSOQLCTRQWQMW-UHFFFAOYSA-N -1 3 386.820 3.865 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001467551877 1067354976 /nfs/dbraw/zinc/35/49/76/1067354976.db2.gz CXWIAPNJSBQCHS-UHFFFAOYSA-N -1 3 394.381 3.768 20 0 GHADHM CCCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](C)C(=O)OCC ZINC001467577966 1067368953 /nfs/dbraw/zinc/36/89/53/1067368953.db2.gz ILHOJLLMIIKIFX-KRWDZBQOSA-N -1 3 383.488 3.981 20 0 GHADHM COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001467592368 1067375725 /nfs/dbraw/zinc/37/57/25/1067375725.db2.gz JICUADWHZWFMJT-UHFFFAOYSA-N -1 3 388.317 3.636 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@]3(C)c3ccccc3)n2CC(C)C)cc(=O)[n-]1 ZINC001358107112 1067400095 /nfs/dbraw/zinc/40/00/95/1067400095.db2.gz ZRMZKBBCKVIEKX-QFIPXVFZSA-N -1 3 392.507 3.921 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCCCOC)c2ccccc2)c1 ZINC001467781570 1067466574 /nfs/dbraw/zinc/46/65/74/1067466574.db2.gz NTWCVNFEHKDPSA-IBGZPJMESA-N -1 3 382.460 3.805 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@H]2C[C@H]2CNc3ccccc32)c1 ZINC001358342421 1067489451 /nfs/dbraw/zinc/48/94/51/1067489451.db2.gz QCVMFEFVGOOPMS-LSDHHAIUSA-N -1 3 384.501 3.555 20 0 GHADHM Cc1n[nH]cc1C1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC001467967348 1067548120 /nfs/dbraw/zinc/54/81/20/1067548120.db2.gz DKLTUPIGSVWLKD-UHFFFAOYSA-N -1 3 391.497 3.541 20 0 GHADHM O=c1[n-]nc([C@@H]2CCCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C2)o1 ZINC001473433122 1067560299 /nfs/dbraw/zinc/56/02/99/1067560299.db2.gz QANBPXLMLSNJLO-QGZVFWFLSA-N -1 3 383.423 3.873 20 0 GHADHM COCC[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC001468061169 1067583745 /nfs/dbraw/zinc/58/37/45/1067583745.db2.gz MJMOYJMEEOQKPR-CQSZACIVSA-N -1 3 397.349 3.647 20 0 GHADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001468344505 1067695051 /nfs/dbraw/zinc/69/50/51/1067695051.db2.gz ITCXHWRDCXGNED-CQSZACIVSA-N -1 3 381.259 3.518 20 0 GHADHM O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc([O-])cc(Br)c1 ZINC001468455377 1067737484 /nfs/dbraw/zinc/73/74/84/1067737484.db2.gz MCOGCKNJAIOMOM-UHFFFAOYSA-N -1 3 389.171 3.541 20 0 GHADHM CCC(CC)Nc1ccncc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001468498556 1067752574 /nfs/dbraw/zinc/75/25/74/1067752574.db2.gz PQTWLPPZJPBPNA-UHFFFAOYSA-N -1 3 399.882 3.901 20 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ZINC001469326549 1068104681 /nfs/dbraw/zinc/10/46/81/1068104681.db2.gz JOUNACQFPXJNHT-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM O=C(NCc1ccc(COc2ccc(F)cc2)cc1)c1cc(F)cc2n[n-]nc21 ZINC001469414511 1068152184 /nfs/dbraw/zinc/15/21/84/1068152184.db2.gz FBNRFLKKPILIAG-UHFFFAOYSA-N -1 3 394.381 3.745 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC001460139495 1068806762 /nfs/dbraw/zinc/80/67/62/1068806762.db2.gz GXOMGTYJCVBGNP-UHFFFAOYSA-N -1 3 392.459 3.746 20 0 GHADHM CC(=O)c1ccc(CCNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001546116581 1068976594 /nfs/dbraw/zinc/97/65/94/1068976594.db2.gz AORVMEAHBNKKSF-UHFFFAOYSA-N -1 3 389.477 3.665 20 0 GHADHM COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001460719967 1069120587 /nfs/dbraw/zinc/12/05/87/1069120587.db2.gz FYMSIKDOQLJSKJ-HNNXBMFYSA-N -1 3 394.258 3.596 20 0 GHADHM O=C(NCC/C=C\c1ccc(Br)cc1)c1nnc2ccccc2c1[O-] ZINC001470477150 1072578770 /nfs/dbraw/zinc/57/87/70/1072578770.db2.gz OYLHVKWZLWMJAR-HYXAFXHYSA-N -1 3 398.260 3.931 20 0 GHADHM CCc1cccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)OC)c1[O-] ZINC001470643697 1072665273 /nfs/dbraw/zinc/66/52/73/1072665273.db2.gz IHLMLSIRNFIVHB-FQEVSTJZSA-N -1 3 375.852 3.512 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001470789372 1072741005 /nfs/dbraw/zinc/74/10/05/1072741005.db2.gz MUCQMZLHBPDAIC-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001470789372 1072741009 /nfs/dbraw/zinc/74/10/09/1072741009.db2.gz MUCQMZLHBPDAIC-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM COc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C(=O)c1ccccc1 ZINC001471442869 1073076984 /nfs/dbraw/zinc/07/69/84/1073076984.db2.gz JMDNSJCJKCCTKC-UHFFFAOYSA-N -1 3 379.387 3.952 20 0 GHADHM O=C(NCCN1CCc2ccccc21)c1cc(CCc2ccccc2)ccc1[O-] ZINC001471758096 1073210170 /nfs/dbraw/zinc/21/01/70/1073210170.db2.gz VDXKAGIOFNUHFA-UHFFFAOYSA-N -1 3 386.495 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109401 1073336238 /nfs/dbraw/zinc/33/62/38/1073336238.db2.gz NRQILWYOJXEUAD-QMMMGPOBSA-N -1 3 388.440 3.793 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c([O-])c(OC)c1 ZINC001472228272 1073376230 /nfs/dbraw/zinc/37/62/30/1073376230.db2.gz LUNCPVHLYOFFHI-UHFFFAOYSA-N -1 3 389.835 3.901 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c([O-])c(OC)c1 ZINC001472228561 1073376669 /nfs/dbraw/zinc/37/66/69/1073376669.db2.gz RWDDAADJJNLDQF-LLVKDONJSA-N -1 3 393.823 3.555 20 0 GHADHM O=C(Cc1c[nH]c2cccc(Br)c12)[N-]OCCOc1ccccc1 ZINC001472341602 1073434206 /nfs/dbraw/zinc/43/42/06/1073434206.db2.gz JIYKUONUHDIKOH-UHFFFAOYSA-N -1 3 389.249 3.600 20 0 GHADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472550623 1073547138 /nfs/dbraw/zinc/54/71/38/1073547138.db2.gz FKXNKUPNNKDCMG-UHFFFAOYSA-N -1 3 382.847 3.832 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)c([O-])c1 ZINC001472582463 1073560203 /nfs/dbraw/zinc/56/02/03/1073560203.db2.gz MQVYMBSOVJTLSC-UHFFFAOYSA-N -1 3 379.359 3.823 20 0 GHADHM CCCCOc1ccc(C(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC001472617741 1073578353 /nfs/dbraw/zinc/57/83/53/1073578353.db2.gz OQVORDBIEUKUPU-BLLLJJGKSA-N -1 3 375.387 3.801 20 0 GHADHM O=c1[n-]nc(SCc2ncsc2Br)n1CCc1ccccc1 ZINC001472923397 1073728095 /nfs/dbraw/zinc/72/80/95/1073728095.db2.gz CCJIZASFEYKJLJ-UHFFFAOYSA-N -1 3 397.323 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2C1 ZINC001473254945 1073891285 /nfs/dbraw/zinc/89/12/85/1073891285.db2.gz DFJTUUPFQIXKKZ-UHFFFAOYSA-N -1 3 396.491 3.817 20 0 GHADHM O=C1OCCN1c1cc(NCc2cccc([O-])c2Br)ccc1F ZINC001474134063 1074272729 /nfs/dbraw/zinc/27/27/29/1074272729.db2.gz GEDPRLVEUSTTHJ-UHFFFAOYSA-N -1 3 381.201 3.863 20 0 GHADHM COc1cccc(-c2csc(CN[C@@H](C)c3nc(C(F)(F)F)n[n-]3)n2)c1 ZINC001474724236 1074535259 /nfs/dbraw/zinc/53/52/59/1074535259.db2.gz PESYFYQHZLXBSC-VIFPVBQESA-N -1 3 383.399 3.806 20 0 GHADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001474886518 1074613113 /nfs/dbraw/zinc/61/31/13/1074613113.db2.gz ZBOHNQUQBKWCNF-UHFFFAOYSA-N -1 3 378.288 3.745 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001474900703 1074621504 /nfs/dbraw/zinc/62/15/04/1074621504.db2.gz WSWIWIIFAWTKTD-JHJVBQTASA-N -1 3 385.917 3.863 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001474900698 1074622033 /nfs/dbraw/zinc/62/20/33/1074622033.db2.gz WSWIWIIFAWTKTD-AGIUHOORSA-N -1 3 385.917 3.863 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCC(C)C)c1 ZINC001474927482 1074635951 /nfs/dbraw/zinc/63/59/51/1074635951.db2.gz KDVBMSAUBNFOLR-WMLDXEAASA-N -1 3 385.501 3.886 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)o1 ZINC001474982771 1074666532 /nfs/dbraw/zinc/66/65/32/1074666532.db2.gz LJVCKLFISXRKCN-KRWDZBQOSA-N -1 3 395.521 3.948 20 0 GHADHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)cc1 ZINC001474987156 1074669901 /nfs/dbraw/zinc/66/99/01/1074669901.db2.gz RWFNMZYRJNNIDV-LLVKDONJSA-N -1 3 381.910 3.735 20 0 GHADHM CCCC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475084767 1074730334 /nfs/dbraw/zinc/73/03/34/1074730334.db2.gz BNWBOQRNPIZFLA-LLVKDONJSA-N -1 3 396.962 3.763 20 0 GHADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001475092744 1074733459 /nfs/dbraw/zinc/73/34/59/1074733459.db2.gz ZUHIBKYOPAKVQQ-UHFFFAOYSA-N -1 3 381.947 3.991 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccc(F)cc1F ZINC001475097669 1074735177 /nfs/dbraw/zinc/73/51/77/1074735177.db2.gz NEVZCWQGDLONBY-LBPRGKRZSA-N -1 3 397.369 3.537 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@@H]2C)c1 ZINC001475173968 1074768966 /nfs/dbraw/zinc/76/89/66/1074768966.db2.gz JPRHJUYLNULDTN-YVEFUNNKSA-N -1 3 379.503 3.527 20 0 GHADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC001475179474 1074772419 /nfs/dbraw/zinc/77/24/19/1074772419.db2.gz JIGHHDWWLNVCGX-UHFFFAOYSA-N -1 3 387.910 3.660 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)CC(CC)CC ZINC001475218657 1074790691 /nfs/dbraw/zinc/79/06/91/1074790691.db2.gz ZNTHPQJNPKHTEI-HXUWFJFHSA-N -1 3 391.533 3.670 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCc3ccc(-c4ccccc4)cc32)s1 ZINC001475220636 1074791686 /nfs/dbraw/zinc/79/16/86/1074791686.db2.gz DZPOIBDGCMFBCK-QGZVFWFLSA-N -1 3 386.498 3.785 20 0 GHADHM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC001475347308 1074842782 /nfs/dbraw/zinc/84/27/82/1074842782.db2.gz QFTXQIHJYLPUEI-QWHCGFSZSA-N -1 3 390.908 3.932 20 0 GHADHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC001475373122 1074852743 /nfs/dbraw/zinc/85/27/43/1074852743.db2.gz WUKPFPBJHYBROW-ZFWWWQNUSA-N -1 3 384.423 3.819 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ncccc2c1)c1cnc(-c2ccccc2)s1 ZINC001475673250 1074997904 /nfs/dbraw/zinc/99/79/04/1074997904.db2.gz QAYCBODTOARIFU-UHFFFAOYSA-N -1 3 395.509 3.879 20 0 GHADHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(CC)c(CC)c1)c1ccccc1 ZINC001475696018 1075001041 /nfs/dbraw/zinc/00/10/41/1075001041.db2.gz AIUNFHRZFFGUOU-OAQYLSRUSA-N -1 3 389.517 3.568 20 0 GHADHM CCc1noc([C@H]2CC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC001475750569 1075014659 /nfs/dbraw/zinc/01/46/59/1075014659.db2.gz JYPIGNWIRWTOIU-GXSJLCMTSA-N -1 3 390.292 3.553 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1csc(NC2CC2)n1 ZINC000532644654 564941814 /nfs/dbraw/zinc/94/18/14/564941814.db2.gz UKPIZNLXMWCORI-UHFFFAOYSA-N -1 3 375.454 3.551 20 0 GHADHM Cc1ccc(-c2nc(CNCc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000737288713 598837436 /nfs/dbraw/zinc/83/74/36/598837436.db2.gz PNZCVDGBEDTZED-UHFFFAOYSA-N -1 3 380.452 3.728 20 0 GHADHM Cc1ccc(-c2nc(CNCc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000737288713 598837439 /nfs/dbraw/zinc/83/74/39/598837439.db2.gz PNZCVDGBEDTZED-UHFFFAOYSA-N -1 3 380.452 3.728 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736478958 598852224 /nfs/dbraw/zinc/85/22/24/598852224.db2.gz GVJHQCOVVGXDTR-UHFFFAOYSA-N -1 3 398.442 3.501 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736478958 598852226 /nfs/dbraw/zinc/85/22/26/598852226.db2.gz GVJHQCOVVGXDTR-UHFFFAOYSA-N -1 3 398.442 3.501 20 0 GHADHM c1cc(-c2nc(C3CCCC3)no2)ccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000738406902 598859114 /nfs/dbraw/zinc/85/91/14/598859114.db2.gz VDFGJDMHSXQPMO-UHFFFAOYSA-N -1 3 375.392 3.762 20 0 GHADHM c1cc(-c2nc(C3CCCC3)no2)ccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000738406902 598859115 /nfs/dbraw/zinc/85/91/15/598859115.db2.gz VDFGJDMHSXQPMO-UHFFFAOYSA-N -1 3 375.392 3.762 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735663979 598876325 /nfs/dbraw/zinc/87/63/25/598876325.db2.gz CCMVIVWLAWEQIM-UHFFFAOYSA-N -1 3 392.507 3.715 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735663979 598876326 /nfs/dbraw/zinc/87/63/26/598876326.db2.gz CCMVIVWLAWEQIM-UHFFFAOYSA-N -1 3 392.507 3.715 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115914 598889488 /nfs/dbraw/zinc/88/94/88/598889488.db2.gz BPERPPXWKPRVCJ-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115914 598889489 /nfs/dbraw/zinc/88/94/89/598889489.db2.gz BPERPPXWKPRVCJ-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736321315 598890373 /nfs/dbraw/zinc/89/03/73/598890373.db2.gz AZLHCQXWVLPMJI-CYBMUJFWSA-N -1 3 384.509 3.783 20 0 GHADHM O=C(Nc1ccc2nccn2c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738177074 598910774 /nfs/dbraw/zinc/91/07/74/598910774.db2.gz FOPAYGRLPUHKJU-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923576 598910913 /nfs/dbraw/zinc/91/09/13/598910913.db2.gz MWUHALGLPDGTLK-UAOJZALGSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923576 598910915 /nfs/dbraw/zinc/91/09/15/598910915.db2.gz MWUHALGLPDGTLK-UAOJZALGSA-N -1 3 375.476 3.971 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736366106 598919910 /nfs/dbraw/zinc/91/99/10/598919910.db2.gz YHOMVNYWRRTDOS-GFCCVEGCSA-N -1 3 376.873 3.532 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736366106 598919911 /nfs/dbraw/zinc/91/99/11/598919911.db2.gz YHOMVNYWRRTDOS-GFCCVEGCSA-N -1 3 376.873 3.532 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735747312 598932180 /nfs/dbraw/zinc/93/21/80/598932180.db2.gz BXVRQVNWMKFNPJ-LJQANCHMSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735747312 598932181 /nfs/dbraw/zinc/93/21/81/598932181.db2.gz BXVRQVNWMKFNPJ-LJQANCHMSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OCC1CC1 ZINC000737932195 598946769 /nfs/dbraw/zinc/94/67/69/598946769.db2.gz KVVMQSDGGXXWLC-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OCC1CC1 ZINC000737932195 598946770 /nfs/dbraw/zinc/94/67/70/598946770.db2.gz KVVMQSDGGXXWLC-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000736400443 598952933 /nfs/dbraw/zinc/95/29/33/598952933.db2.gz OGHJROGVUFAXRX-AAEUAGOBSA-N -1 3 386.525 3.560 20 0 GHADHM CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736452329 598954002 /nfs/dbraw/zinc/95/40/02/598954002.db2.gz UVAYOEWKCSCVLK-INIZCTEOSA-N -1 3 399.520 3.727 20 0 GHADHM CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736452329 598954003 /nfs/dbraw/zinc/95/40/03/598954003.db2.gz UVAYOEWKCSCVLK-INIZCTEOSA-N -1 3 399.520 3.727 20 0 GHADHM CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736471057 598954115 /nfs/dbraw/zinc/95/41/15/598954115.db2.gz HAMSYOAEXXFZDP-SFHVURJKSA-N -1 3 399.520 3.727 20 0 GHADHM CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736471057 598954117 /nfs/dbraw/zinc/95/41/17/598954117.db2.gz HAMSYOAEXXFZDP-SFHVURJKSA-N -1 3 399.520 3.727 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249140 598987981 /nfs/dbraw/zinc/98/79/81/598987981.db2.gz FFGGGTNSRGRNCI-DNVCBOLYSA-N -1 3 391.475 3.754 20 0 GHADHM Cc1c(NCC(=O)Nc2ccc(Cl)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822122414 607256556 /nfs/dbraw/zinc/25/65/56/607256556.db2.gz LVUWODSYWGCFNL-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1c(NCC(=O)Nc2ccc(Cl)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822122414 607256557 /nfs/dbraw/zinc/25/65/57/607256557.db2.gz LVUWODSYWGCFNL-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM CC(C)(C)CCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735602016 598990378 /nfs/dbraw/zinc/99/03/78/598990378.db2.gz KHUZHRKVEPMXBN-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC(C)(C)CCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735602016 598990380 /nfs/dbraw/zinc/99/03/80/598990380.db2.gz KHUZHRKVEPMXBN-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736326029 598997331 /nfs/dbraw/zinc/99/73/31/598997331.db2.gz BASLRRNVWGRHEC-CABCVRRESA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735639112 599018091 /nfs/dbraw/zinc/01/80/91/599018091.db2.gz ATIRUFKGVPHMCF-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735639112 599018092 /nfs/dbraw/zinc/01/80/92/599018092.db2.gz ATIRUFKGVPHMCF-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM Cc1ccc(SCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737369784 599039897 /nfs/dbraw/zinc/03/98/97/599039897.db2.gz WDVBHLQBWPDUEI-UHFFFAOYSA-N -1 3 380.399 3.793 20 0 GHADHM Cc1ccc(SCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737369784 599039900 /nfs/dbraw/zinc/03/99/00/599039900.db2.gz WDVBHLQBWPDUEI-UHFFFAOYSA-N -1 3 380.399 3.793 20 0 GHADHM Cc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737329299 599042177 /nfs/dbraw/zinc/04/21/77/599042177.db2.gz IUMPDYAUIISUNJ-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM Cc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737329299 599042180 /nfs/dbraw/zinc/04/21/80/599042180.db2.gz IUMPDYAUIISUNJ-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM CC(C)Oc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000735914668 599042423 /nfs/dbraw/zinc/04/24/23/599042423.db2.gz ICHJGTCYVOGDNB-UHFFFAOYSA-N -1 3 392.385 3.722 20 0 GHADHM CC(C)Oc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000735914668 599042425 /nfs/dbraw/zinc/04/24/25/599042425.db2.gz ICHJGTCYVOGDNB-UHFFFAOYSA-N -1 3 392.385 3.722 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000737633340 599057297 /nfs/dbraw/zinc/05/72/97/599057297.db2.gz QMCLKXWTAMWDSB-LLVKDONJSA-N -1 3 394.788 3.928 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000737633340 599057300 /nfs/dbraw/zinc/05/73/00/599057300.db2.gz QMCLKXWTAMWDSB-LLVKDONJSA-N -1 3 394.788 3.928 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000736482154 599060939 /nfs/dbraw/zinc/06/09/39/599060939.db2.gz VPHRIEXSSRRIMV-UHFFFAOYSA-N -1 3 390.369 3.728 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000736482154 599060942 /nfs/dbraw/zinc/06/09/42/599060942.db2.gz VPHRIEXSSRRIMV-UHFFFAOYSA-N -1 3 390.369 3.728 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735904566 599070413 /nfs/dbraw/zinc/07/04/13/599070413.db2.gz QMDNERYXVYXXMP-HIFRSBDPSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735904566 599070415 /nfs/dbraw/zinc/07/04/15/599070415.db2.gz QMDNERYXVYXXMP-HIFRSBDPSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735784662 599079495 /nfs/dbraw/zinc/07/94/95/599079495.db2.gz VFFANUJQTHLACS-SFHVURJKSA-N -1 3 399.882 3.803 20 0 GHADHM CCc1cnc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)s1 ZINC000821499894 599083664 /nfs/dbraw/zinc/08/36/64/599083664.db2.gz URBAEXHIRUCGDK-UHFFFAOYSA-N -1 3 390.476 3.607 20 0 GHADHM CCc1cnc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)s1 ZINC000821499894 599083666 /nfs/dbraw/zinc/08/36/66/599083666.db2.gz URBAEXHIRUCGDK-UHFFFAOYSA-N -1 3 390.476 3.607 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736210079 599093156 /nfs/dbraw/zinc/09/31/56/599093156.db2.gz FAKZHXROIIWCAP-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736210079 599093159 /nfs/dbraw/zinc/09/31/59/599093159.db2.gz FAKZHXROIIWCAP-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737389125 599103158 /nfs/dbraw/zinc/10/31/58/599103158.db2.gz IOIVXTWCCABBLX-VQIMIIECSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737389125 599103160 /nfs/dbraw/zinc/10/31/60/599103160.db2.gz IOIVXTWCCABBLX-VQIMIIECSA-N -1 3 391.475 3.615 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc(Cl)c(Cl)c1 ZINC000823696277 599129184 /nfs/dbraw/zinc/12/91/84/599129184.db2.gz CAKGIDLJLLWPTL-NSHDSACASA-N -1 3 397.287 3.706 20 0 GHADHM CC(C)[C@H](C)SCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820021590 599130219 /nfs/dbraw/zinc/13/02/19/599130219.db2.gz WWCXRJMVAFUXOV-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)[C@H](C)SCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820021590 599130221 /nfs/dbraw/zinc/13/02/21/599130221.db2.gz WWCXRJMVAFUXOV-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM c1ccc(CCCc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823780395 599133596 /nfs/dbraw/zinc/13/35/96/599133596.db2.gz SIWDGQKLGNAZCN-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM c1ccc(CCCc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000823780395 599133598 /nfs/dbraw/zinc/13/35/98/599133598.db2.gz SIWDGQKLGNAZCN-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM O=C(CCC1CCOCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822955536 599135461 /nfs/dbraw/zinc/13/54/61/599135461.db2.gz ZFJAMYPMJFYATQ-UHFFFAOYSA-N -1 3 378.432 3.646 20 0 GHADHM O=C(CCC1CCOCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822955536 599135463 /nfs/dbraw/zinc/13/54/63/599135463.db2.gz ZFJAMYPMJFYATQ-UHFFFAOYSA-N -1 3 378.432 3.646 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736236370 599145433 /nfs/dbraw/zinc/14/54/33/599145433.db2.gz RUFVNIROKSNUKU-GXTWGEPZSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736236370 599145436 /nfs/dbraw/zinc/14/54/36/599145436.db2.gz RUFVNIROKSNUKU-GXTWGEPZSA-N -1 3 382.855 3.930 20 0 GHADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950514 599147437 /nfs/dbraw/zinc/14/74/37/599147437.db2.gz RDKQVZAFDIIXPF-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950514 599147438 /nfs/dbraw/zinc/14/74/38/599147438.db2.gz RDKQVZAFDIIXPF-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820868688 599159398 /nfs/dbraw/zinc/15/93/98/599159398.db2.gz BPGANDDDZIXTGT-KBPBESRZSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820868688 599159401 /nfs/dbraw/zinc/15/94/01/599159401.db2.gz BPGANDDDZIXTGT-KBPBESRZSA-N -1 3 383.452 3.593 20 0 GHADHM Cc1ccc(C(C)C)c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737316909 599159585 /nfs/dbraw/zinc/15/95/85/599159585.db2.gz IFDUHRSFXGXFGT-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM Cc1ccc(C(C)C)c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737316909 599159587 /nfs/dbraw/zinc/15/95/87/599159587.db2.gz IFDUHRSFXGXFGT-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM Clc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000737575531 599160466 /nfs/dbraw/zinc/16/04/66/599160466.db2.gz XGEALBUSFXTOFB-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000737575531 599160469 /nfs/dbraw/zinc/16/04/69/599160469.db2.gz XGEALBUSFXTOFB-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000736481200 599160413 /nfs/dbraw/zinc/16/04/13/599160413.db2.gz WVZPLBDECSSMAF-CVEARBPZSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000736481200 599160414 /nfs/dbraw/zinc/16/04/14/599160414.db2.gz WVZPLBDECSSMAF-CVEARBPZSA-N -1 3 397.429 3.687 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737422021 599169544 /nfs/dbraw/zinc/16/95/44/599169544.db2.gz ODAWJATXOCQGNT-OLZOCXBDSA-N -1 3 385.468 3.672 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737422021 599169545 /nfs/dbraw/zinc/16/95/45/599169545.db2.gz ODAWJATXOCQGNT-OLZOCXBDSA-N -1 3 385.468 3.672 20 0 GHADHM Cc1nc(SCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)sc1C ZINC000737483299 599174095 /nfs/dbraw/zinc/17/40/95/599174095.db2.gz NAHZLBNPGZSCPR-UHFFFAOYSA-N -1 3 383.506 3.726 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736235964 599174893 /nfs/dbraw/zinc/17/48/93/599174893.db2.gz QMGDPDAMIMOROL-PXAZEXFGSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736235964 599174896 /nfs/dbraw/zinc/17/48/96/599174896.db2.gz QMGDPDAMIMOROL-PXAZEXFGSA-N -1 3 382.468 3.786 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000737647958 599177546 /nfs/dbraw/zinc/17/75/46/599177546.db2.gz GDRLNNIQEYAHCB-KRWDZBQOSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000737647958 599177547 /nfs/dbraw/zinc/17/75/47/599177547.db2.gz GDRLNNIQEYAHCB-KRWDZBQOSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000737639822 599177642 /nfs/dbraw/zinc/17/76/42/599177642.db2.gz TWILWHAXJQRYPA-KRWDZBQOSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000737639822 599177644 /nfs/dbraw/zinc/17/76/44/599177644.db2.gz TWILWHAXJQRYPA-KRWDZBQOSA-N -1 3 389.887 3.949 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735510445 599183467 /nfs/dbraw/zinc/18/34/67/599183467.db2.gz BMERRKANWLWZEF-CQSZACIVSA-N -1 3 391.406 3.936 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735510445 599183470 /nfs/dbraw/zinc/18/34/70/599183470.db2.gz BMERRKANWLWZEF-CQSZACIVSA-N -1 3 391.406 3.936 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732029 599184470 /nfs/dbraw/zinc/18/44/70/599184470.db2.gz LJKWOLMUXBSZPO-HZPDHXFCSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732029 599184471 /nfs/dbraw/zinc/18/44/71/599184471.db2.gz LJKWOLMUXBSZPO-HZPDHXFCSA-N -1 3 388.258 3.940 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@@H]1Cc2ccccc21 ZINC000738210541 599186736 /nfs/dbraw/zinc/18/67/36/599186736.db2.gz QYDVKCIWRPAITG-OAHLLOKOSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@@H]1Cc2ccccc21 ZINC000738210541 599186739 /nfs/dbraw/zinc/18/67/39/599186739.db2.gz QYDVKCIWRPAITG-OAHLLOKOSA-N -1 3 379.489 3.866 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000737236553 599187688 /nfs/dbraw/zinc/18/76/88/599187688.db2.gz MUJLUJAESMKZCA-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000737236553 599187692 /nfs/dbraw/zinc/18/76/92/599187692.db2.gz MUJLUJAESMKZCA-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1Cc2ccccc21 ZINC000738171613 599190164 /nfs/dbraw/zinc/19/01/64/599190164.db2.gz HMZSYKGQGUDLID-HXUWFJFHSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1Cc2ccccc21 ZINC000738171613 599190167 /nfs/dbraw/zinc/19/01/67/599190167.db2.gz HMZSYKGQGUDLID-HXUWFJFHSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823498676 599192234 /nfs/dbraw/zinc/19/22/34/599192234.db2.gz YGTYTKMYYGKZGZ-SFHVURJKSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823498676 599192237 /nfs/dbraw/zinc/19/22/37/599192237.db2.gz YGTYTKMYYGKZGZ-SFHVURJKSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(c1ccco1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738287603 599211571 /nfs/dbraw/zinc/21/15/71/599211571.db2.gz YLYWFZNTWHTCKG-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM O=C(c1ccco1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738287603 599211573 /nfs/dbraw/zinc/21/15/73/599211573.db2.gz YLYWFZNTWHTCKG-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM Cc1ccc(N2CC[C@@H](S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000822241559 599224481 /nfs/dbraw/zinc/22/44/81/599224481.db2.gz ZRDIQCOOBKRSKP-RDTXWAMCSA-N -1 3 379.489 3.775 20 0 GHADHM Cc1ccc(N2CC[C@@H](S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000822241559 599224484 /nfs/dbraw/zinc/22/44/84/599224484.db2.gz ZRDIQCOOBKRSKP-RDTXWAMCSA-N -1 3 379.489 3.775 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357691 607261771 /nfs/dbraw/zinc/26/17/71/607261771.db2.gz IRZUJRFIVNNGKW-SCLBCKFNSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357691 607261772 /nfs/dbraw/zinc/26/17/72/607261772.db2.gz IRZUJRFIVNNGKW-SCLBCKFNSA-N -1 3 376.464 3.650 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3cccc(-c4nnn[n-]4)c3)ccc2C)c1 ZINC000737436116 599232265 /nfs/dbraw/zinc/23/22/65/599232265.db2.gz FBKIAOPSUPUFEJ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2C)c1 ZINC000737436116 599232268 /nfs/dbraw/zinc/23/22/68/599232268.db2.gz FBKIAOPSUPUFEJ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1sccc1-c1nnn[n-]1 ZINC000738012570 599232400 /nfs/dbraw/zinc/23/24/00/599232400.db2.gz SJPZIDPZGXUTBX-UHFFFAOYSA-N -1 3 393.394 3.756 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1sccc1-c1nn[n-]n1 ZINC000738012570 599232402 /nfs/dbraw/zinc/23/24/02/599232402.db2.gz SJPZIDPZGXUTBX-UHFFFAOYSA-N -1 3 393.394 3.756 20 0 GHADHM CC(C)c1ccc(CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000820192407 607262834 /nfs/dbraw/zinc/26/28/34/607262834.db2.gz MOSIONJZUUNZPW-UHFFFAOYSA-N -1 3 396.882 3.843 20 0 GHADHM CC(C)c1ccc(CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000820192407 607262835 /nfs/dbraw/zinc/26/28/35/607262835.db2.gz MOSIONJZUUNZPW-UHFFFAOYSA-N -1 3 396.882 3.843 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822061581 607268674 /nfs/dbraw/zinc/26/86/74/607268674.db2.gz QYJCTHSMEBEAJW-CABCVRRESA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822061581 607268675 /nfs/dbraw/zinc/26/86/75/607268675.db2.gz QYJCTHSMEBEAJW-CABCVRRESA-N -1 3 398.264 3.680 20 0 GHADHM C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403717 599237269 /nfs/dbraw/zinc/23/72/69/599237269.db2.gz LQSXYIGUYQKBJN-SNVBAGLBSA-N -1 3 392.410 3.933 20 0 GHADHM C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403717 599237273 /nfs/dbraw/zinc/23/72/73/599237273.db2.gz LQSXYIGUYQKBJN-SNVBAGLBSA-N -1 3 392.410 3.933 20 0 GHADHM Cc1c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822068022 607268898 /nfs/dbraw/zinc/26/88/98/607268898.db2.gz NTPTULMLZWVYIF-AWEZNQCLSA-N -1 3 375.354 3.850 20 0 GHADHM Cc1c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822068022 607268899 /nfs/dbraw/zinc/26/88/99/607268899.db2.gz NTPTULMLZWVYIF-AWEZNQCLSA-N -1 3 375.354 3.850 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nccs2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375182 599248976 /nfs/dbraw/zinc/24/89/76/599248976.db2.gz ZKEHYZSGIPBUAV-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nccs2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375182 599248979 /nfs/dbraw/zinc/24/89/79/599248979.db2.gz ZKEHYZSGIPBUAV-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000736818051 599249171 /nfs/dbraw/zinc/24/91/71/599249171.db2.gz MAJCNFFIUWEJPA-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000736818051 599249174 /nfs/dbraw/zinc/24/91/74/599249174.db2.gz MAJCNFFIUWEJPA-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736236380 599249260 /nfs/dbraw/zinc/24/92/60/599249260.db2.gz RVOITGMBDAJSBP-YRISJXQJSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736236380 599249264 /nfs/dbraw/zinc/24/92/64/599249264.db2.gz RVOITGMBDAJSBP-YRISJXQJSA-N -1 3 377.423 3.629 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822085348 607280645 /nfs/dbraw/zinc/28/06/45/607280645.db2.gz YKSIUKFRUWRUHS-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822085348 607280646 /nfs/dbraw/zinc/28/06/46/607280646.db2.gz YKSIUKFRUWRUHS-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822084681 607285626 /nfs/dbraw/zinc/28/56/26/607285626.db2.gz NMWZDYOBKXVQRU-WMLDXEAASA-N -1 3 376.464 3.833 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822084681 607285627 /nfs/dbraw/zinc/28/56/27/607285627.db2.gz NMWZDYOBKXVQRU-WMLDXEAASA-N -1 3 376.464 3.833 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822102614 607286952 /nfs/dbraw/zinc/28/69/52/607286952.db2.gz BXZCDLWGQUZZJY-UHFFFAOYSA-N -1 3 380.383 3.691 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822102614 607286953 /nfs/dbraw/zinc/28/69/53/607286953.db2.gz BXZCDLWGQUZZJY-UHFFFAOYSA-N -1 3 380.383 3.691 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)c1 ZINC000822323224 607290386 /nfs/dbraw/zinc/29/03/86/607290386.db2.gz AECQOHSTGNEROV-UHFFFAOYSA-N -1 3 391.479 3.592 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)c1 ZINC000822323224 607290387 /nfs/dbraw/zinc/29/03/87/607290387.db2.gz AECQOHSTGNEROV-UHFFFAOYSA-N -1 3 391.479 3.592 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1F ZINC000737090111 599259197 /nfs/dbraw/zinc/25/91/97/599259197.db2.gz BBBMQGPJCZKPDY-UHFFFAOYSA-N -1 3 398.829 3.852 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1F ZINC000737090111 599259198 /nfs/dbraw/zinc/25/91/98/599259198.db2.gz BBBMQGPJCZKPDY-UHFFFAOYSA-N -1 3 398.829 3.852 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823104541 607294563 /nfs/dbraw/zinc/29/45/63/607294563.db2.gz YXERWVUSYJJNSV-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823104541 607294564 /nfs/dbraw/zinc/29/45/64/607294564.db2.gz YXERWVUSYJJNSV-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000822299304 607301856 /nfs/dbraw/zinc/30/18/56/607301856.db2.gz FARXWNTZKKHWSI-KRWDZBQOSA-N -1 3 396.882 3.899 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822299304 607301857 /nfs/dbraw/zinc/30/18/57/607301857.db2.gz FARXWNTZKKHWSI-KRWDZBQOSA-N -1 3 396.882 3.899 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000822729041 607307730 /nfs/dbraw/zinc/30/77/30/607307730.db2.gz ROKPPYJVDHQSPU-UHFFFAOYSA-N -1 3 377.374 3.809 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000822729041 607307731 /nfs/dbraw/zinc/30/77/31/607307731.db2.gz ROKPPYJVDHQSPU-UHFFFAOYSA-N -1 3 377.374 3.809 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000822217350 599269193 /nfs/dbraw/zinc/26/91/93/599269193.db2.gz BVTQLMFAHZHOIL-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000822217350 599269195 /nfs/dbraw/zinc/26/91/95/599269195.db2.gz BVTQLMFAHZHOIL-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000822217610 599272551 /nfs/dbraw/zinc/27/25/51/599272551.db2.gz JHAJQLUUDQXSGS-OAHLLOKOSA-N -1 3 394.504 3.821 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000822217610 599272552 /nfs/dbraw/zinc/27/25/52/599272552.db2.gz JHAJQLUUDQXSGS-OAHLLOKOSA-N -1 3 394.504 3.821 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000736486951 599276077 /nfs/dbraw/zinc/27/60/77/599276077.db2.gz AATFSAJYBCHXBE-UHFFFAOYSA-N -1 3 394.479 3.830 20 0 GHADHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000823356475 607320443 /nfs/dbraw/zinc/32/04/43/607320443.db2.gz MPKSIPVPCZNVLR-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000823356475 607320444 /nfs/dbraw/zinc/32/04/44/607320444.db2.gz MPKSIPVPCZNVLR-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821944062 599282536 /nfs/dbraw/zinc/28/25/36/599282536.db2.gz ZXZGSFSYYQGUSD-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821944062 599282538 /nfs/dbraw/zinc/28/25/38/599282538.db2.gz ZXZGSFSYYQGUSD-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM Cc1cc(C)c(NC(=O)COc2c(C)cc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000737248485 599283944 /nfs/dbraw/zinc/28/39/44/599283944.db2.gz GMCGHPGUXZXWPS-UHFFFAOYSA-N -1 3 385.855 3.771 20 0 GHADHM CN(CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821596752 599286292 /nfs/dbraw/zinc/28/62/92/599286292.db2.gz UDWNHXAYHSGXND-UHFFFAOYSA-N -1 3 382.390 3.930 20 0 GHADHM CN(CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821596752 599286293 /nfs/dbraw/zinc/28/62/93/599286293.db2.gz UDWNHXAYHSGXND-UHFFFAOYSA-N -1 3 382.390 3.930 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000821608431 599286635 /nfs/dbraw/zinc/28/66/35/599286635.db2.gz GXRPIZUBQCTWTI-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000821608431 599286636 /nfs/dbraw/zinc/28/66/36/599286636.db2.gz GXRPIZUBQCTWTI-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM Cn1ccc2ccc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc21 ZINC000822688913 599287188 /nfs/dbraw/zinc/28/71/88/599287188.db2.gz DHRAHSGINRSWFN-UHFFFAOYSA-N -1 3 387.447 3.555 20 0 GHADHM Cn1ccc2ccc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cc21 ZINC000822688913 599287191 /nfs/dbraw/zinc/28/71/91/599287191.db2.gz DHRAHSGINRSWFN-UHFFFAOYSA-N -1 3 387.447 3.555 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820696741 599288334 /nfs/dbraw/zinc/28/83/34/599288334.db2.gz BSRAAGOFHNNZLP-MNOVXSKESA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820696741 599288335 /nfs/dbraw/zinc/28/83/35/599288335.db2.gz BSRAAGOFHNNZLP-MNOVXSKESA-N -1 3 382.390 3.928 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823472678 607321542 /nfs/dbraw/zinc/32/15/42/607321542.db2.gz UYZPIVRUWDGKHW-AWEZNQCLSA-N -1 3 375.404 3.574 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823472678 607321543 /nfs/dbraw/zinc/32/15/43/607321543.db2.gz UYZPIVRUWDGKHW-AWEZNQCLSA-N -1 3 375.404 3.574 20 0 GHADHM Cc1c([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000737208765 598237291 /nfs/dbraw/zinc/23/72/91/598237291.db2.gz FRKGKDOVSPUKNB-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000737208765 598237293 /nfs/dbraw/zinc/23/72/93/598237293.db2.gz FRKGKDOVSPUKNB-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM COc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1OCC(F)(F)F ZINC000737106671 598237383 /nfs/dbraw/zinc/23/73/83/598237383.db2.gz WVTGCYQUZSPTLK-UHFFFAOYSA-N -1 3 383.305 3.699 20 0 GHADHM COc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1OCC(F)(F)F ZINC000737106671 598237385 /nfs/dbraw/zinc/23/73/85/598237385.db2.gz WVTGCYQUZSPTLK-UHFFFAOYSA-N -1 3 383.305 3.699 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197935 598255660 /nfs/dbraw/zinc/25/56/60/598255660.db2.gz FFKQCVMCDYQINW-CYBMUJFWSA-N -1 3 386.862 3.542 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736816257 598275175 /nfs/dbraw/zinc/27/51/75/598275175.db2.gz CJWOLNSHEUHVFT-UHFFFAOYSA-N -1 3 387.875 3.741 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736816257 598275176 /nfs/dbraw/zinc/27/51/76/598275176.db2.gz CJWOLNSHEUHVFT-UHFFFAOYSA-N -1 3 387.875 3.741 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736653944 598283682 /nfs/dbraw/zinc/28/36/82/598283682.db2.gz NTGMVUYVHIEEBO-KBXCAEBGSA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736653944 598283684 /nfs/dbraw/zinc/28/36/84/598283684.db2.gz NTGMVUYVHIEEBO-KBXCAEBGSA-N -1 3 394.479 3.777 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735736353 598298368 /nfs/dbraw/zinc/29/83/68/598298368.db2.gz SMKPVZCNRPGMPU-SFHVURJKSA-N -1 3 399.495 3.580 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735736353 598298370 /nfs/dbraw/zinc/29/83/70/598298370.db2.gz SMKPVZCNRPGMPU-SFHVURJKSA-N -1 3 399.495 3.580 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000738102433 598301082 /nfs/dbraw/zinc/30/10/82/598301082.db2.gz SAZWEVPUPLIHTF-UHFFFAOYSA-N -1 3 396.454 3.759 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000738102433 598301084 /nfs/dbraw/zinc/30/10/84/598301084.db2.gz SAZWEVPUPLIHTF-UHFFFAOYSA-N -1 3 396.454 3.759 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCc2c(ccc(Cl)c2Cl)C1 ZINC000737639873 598301087 /nfs/dbraw/zinc/30/10/87/598301087.db2.gz UJVMXCAAZGMSSC-UHFFFAOYSA-N -1 3 378.238 3.871 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCc2c(ccc(Cl)c2Cl)C1 ZINC000737639873 598301090 /nfs/dbraw/zinc/30/10/90/598301090.db2.gz UJVMXCAAZGMSSC-UHFFFAOYSA-N -1 3 378.238 3.871 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737933231 598308808 /nfs/dbraw/zinc/30/88/08/598308808.db2.gz VPLZSRMCKVWXQZ-UHFFFAOYSA-N -1 3 399.907 3.733 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737933231 598308810 /nfs/dbraw/zinc/30/88/10/598308810.db2.gz VPLZSRMCKVWXQZ-UHFFFAOYSA-N -1 3 399.907 3.733 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732131 598311420 /nfs/dbraw/zinc/31/14/20/598311420.db2.gz KKIMOFDXDKBCBR-UHFFFAOYSA-N -1 3 391.406 3.861 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732131 598311422 /nfs/dbraw/zinc/31/14/22/598311422.db2.gz KKIMOFDXDKBCBR-UHFFFAOYSA-N -1 3 391.406 3.861 20 0 GHADHM S=C(NCCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402156 598317723 /nfs/dbraw/zinc/31/77/23/598317723.db2.gz YARWITGNTUPEEL-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM S=C(NCCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402156 598317725 /nfs/dbraw/zinc/31/77/25/598317725.db2.gz YARWITGNTUPEEL-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM S=C(NCCSc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401517 598319654 /nfs/dbraw/zinc/31/96/54/598319654.db2.gz QWBBPIHXBDIDGW-UHFFFAOYSA-N -1 3 390.925 3.599 20 0 GHADHM S=C(NCCSc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401517 598319656 /nfs/dbraw/zinc/31/96/56/598319656.db2.gz QWBBPIHXBDIDGW-UHFFFAOYSA-N -1 3 390.925 3.599 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736328413 598323522 /nfs/dbraw/zinc/32/35/22/598323522.db2.gz ORJMTVPZMGRRJE-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736328413 598323523 /nfs/dbraw/zinc/32/35/23/598323523.db2.gz ORJMTVPZMGRRJE-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CCC(CC)[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736337154 598325372 /nfs/dbraw/zinc/32/53/72/598325372.db2.gz IDGGARCFCDAKKM-IBGZPJMESA-N -1 3 396.470 3.983 20 0 GHADHM CCC(CC)[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736337154 598325373 /nfs/dbraw/zinc/32/53/73/598325373.db2.gz IDGGARCFCDAKKM-IBGZPJMESA-N -1 3 396.470 3.983 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735593023 598325509 /nfs/dbraw/zinc/32/55/09/598325509.db2.gz DUKLAGIUXAUJLS-SFHVURJKSA-N -1 3 396.470 3.983 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735593023 598325511 /nfs/dbraw/zinc/32/55/11/598325511.db2.gz DUKLAGIUXAUJLS-SFHVURJKSA-N -1 3 396.470 3.983 20 0 GHADHM CCCCC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736441294 598325646 /nfs/dbraw/zinc/32/56/46/598325646.db2.gz OZDPOXDEVJVTPD-CQSZACIVSA-N -1 3 383.452 3.737 20 0 GHADHM CCCCC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736441294 598325648 /nfs/dbraw/zinc/32/56/48/598325648.db2.gz OZDPOXDEVJVTPD-CQSZACIVSA-N -1 3 383.452 3.737 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736396843 598327687 /nfs/dbraw/zinc/32/76/87/598327687.db2.gz PABSXAFEFBGJGH-GOSISDBHSA-N -1 3 382.443 3.689 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736396843 598327689 /nfs/dbraw/zinc/32/76/89/598327689.db2.gz PABSXAFEFBGJGH-GOSISDBHSA-N -1 3 382.443 3.689 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736199834 598328928 /nfs/dbraw/zinc/32/89/28/598328928.db2.gz ZCHRLVFRMXTRTJ-GFCCVEGCSA-N -1 3 394.410 3.655 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736199834 598328930 /nfs/dbraw/zinc/32/89/30/598328930.db2.gz ZCHRLVFRMXTRTJ-GFCCVEGCSA-N -1 3 394.410 3.655 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736392305 598358804 /nfs/dbraw/zinc/35/88/04/598358804.db2.gz QOMXIDSOHKEJEM-LJQANCHMSA-N -1 3 393.491 3.806 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736392305 598358807 /nfs/dbraw/zinc/35/88/07/598358807.db2.gz QOMXIDSOHKEJEM-LJQANCHMSA-N -1 3 393.491 3.806 20 0 GHADHM c1ccc(-c2nnc(SCCCOc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000738421304 598360122 /nfs/dbraw/zinc/36/01/22/598360122.db2.gz CZFXDFHVQKRPOQ-UHFFFAOYSA-N -1 3 396.501 3.946 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737147142 598361140 /nfs/dbraw/zinc/36/11/40/598361140.db2.gz KMNHGEMMLRRSKK-IBGZPJMESA-N -1 3 391.475 3.562 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737147142 598361142 /nfs/dbraw/zinc/36/11/42/598361142.db2.gz KMNHGEMMLRRSKK-IBGZPJMESA-N -1 3 391.475 3.562 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2ccsc2)oc1C ZINC000736628806 598362991 /nfs/dbraw/zinc/36/29/91/598362991.db2.gz XQKUWGKTULKOSP-UHFFFAOYSA-N -1 3 383.433 3.869 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccsc2)oc1C ZINC000736628806 598362992 /nfs/dbraw/zinc/36/29/92/598362992.db2.gz XQKUWGKTULKOSP-UHFFFAOYSA-N -1 3 383.433 3.869 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCCc2sccc21 ZINC000821699063 607349060 /nfs/dbraw/zinc/34/90/60/607349060.db2.gz ANFKWVLGWYMQID-LLVKDONJSA-N -1 3 390.852 3.616 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCCc2sccc21 ZINC000821699063 607349062 /nfs/dbraw/zinc/34/90/62/607349062.db2.gz ANFKWVLGWYMQID-LLVKDONJSA-N -1 3 390.852 3.616 20 0 GHADHM Cc1ccccc1C1(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CC1 ZINC000737419512 598380598 /nfs/dbraw/zinc/38/05/98/598380598.db2.gz CYLXIVHDCWSMOM-UHFFFAOYSA-N -1 3 389.503 3.892 20 0 GHADHM Cc1ccccc1C1(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CC1 ZINC000737419512 598380600 /nfs/dbraw/zinc/38/06/00/598380600.db2.gz CYLXIVHDCWSMOM-UHFFFAOYSA-N -1 3 389.503 3.892 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737798091 598382122 /nfs/dbraw/zinc/38/21/22/598382122.db2.gz GIOOYBIGNJMCFR-FLIBITNWSA-N -1 3 392.438 3.648 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737798091 598382123 /nfs/dbraw/zinc/38/21/23/598382123.db2.gz GIOOYBIGNJMCFR-FLIBITNWSA-N -1 3 392.438 3.648 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1-c1cccs1 ZINC000737899547 598382243 /nfs/dbraw/zinc/38/22/43/598382243.db2.gz RZCNQPXDUGBAPF-UHFFFAOYSA-N -1 3 376.445 3.646 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000736626860 598383053 /nfs/dbraw/zinc/38/30/53/598383053.db2.gz MBRWEGZQENEUJL-UHFFFAOYSA-N -1 3 398.810 3.548 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000736626860 598383055 /nfs/dbraw/zinc/38/30/55/598383055.db2.gz MBRWEGZQENEUJL-UHFFFAOYSA-N -1 3 398.810 3.548 20 0 GHADHM CCC(=O)c1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000820842157 607355839 /nfs/dbraw/zinc/35/58/39/607355839.db2.gz KOHBWKIUASVTSX-UHFFFAOYSA-N -1 3 392.463 3.902 20 0 GHADHM CCC(=O)c1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000820842157 607355841 /nfs/dbraw/zinc/35/58/41/607355841.db2.gz KOHBWKIUASVTSX-UHFFFAOYSA-N -1 3 392.463 3.902 20 0 GHADHM CCOc1c(Cl)cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000736629082 598390860 /nfs/dbraw/zinc/39/08/60/598390860.db2.gz TUZBRYBBDQKLMX-UHFFFAOYSA-N -1 3 395.250 3.588 20 0 GHADHM CCOc1c(Cl)cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000736629082 598390861 /nfs/dbraw/zinc/39/08/61/598390861.db2.gz TUZBRYBBDQKLMX-UHFFFAOYSA-N -1 3 395.250 3.588 20 0 GHADHM Cc1ccc(F)c(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000737343046 598417183 /nfs/dbraw/zinc/41/71/83/598417183.db2.gz LKZKOENDFRQBKR-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1ccc(F)c(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000737343046 598417185 /nfs/dbraw/zinc/41/71/85/598417185.db2.gz LKZKOENDFRQBKR-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736820232 598419353 /nfs/dbraw/zinc/41/93/53/598419353.db2.gz STFAUTMFASCTPF-UHFFFAOYSA-N -1 3 397.845 3.612 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736820232 598419354 /nfs/dbraw/zinc/41/93/54/598419354.db2.gz STFAUTMFASCTPF-UHFFFAOYSA-N -1 3 397.845 3.612 20 0 GHADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000737341370 598430557 /nfs/dbraw/zinc/43/05/57/598430557.db2.gz GSVVAIGDAYYBMZ-UHFFFAOYSA-N -1 3 378.480 3.604 20 0 GHADHM Cc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000737341370 598430559 /nfs/dbraw/zinc/43/05/59/598430559.db2.gz GSVVAIGDAYYBMZ-UHFFFAOYSA-N -1 3 378.480 3.604 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737252399 598433460 /nfs/dbraw/zinc/43/34/60/598433460.db2.gz HLNGROIIRYNPNE-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737252399 598433463 /nfs/dbraw/zinc/43/34/63/598433463.db2.gz HLNGROIIRYNPNE-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000737089914 598444591 /nfs/dbraw/zinc/44/45/91/598444591.db2.gz ZOBPGHFPULHEGQ-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000737089914 598444593 /nfs/dbraw/zinc/44/45/93/598444593.db2.gz ZOBPGHFPULHEGQ-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM O=C(Nc1cccc2cccnc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738184277 598468967 /nfs/dbraw/zinc/46/89/67/598468967.db2.gz NRIZPDGVZSBIPJ-UHFFFAOYSA-N -1 3 385.431 3.611 20 0 GHADHM O=C(Nc1cccc2cccnc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738184277 598468970 /nfs/dbraw/zinc/46/89/70/598468970.db2.gz NRIZPDGVZSBIPJ-UHFFFAOYSA-N -1 3 385.431 3.611 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000736627619 598471400 /nfs/dbraw/zinc/47/14/00/598471400.db2.gz NXPNSZKOXGDICV-UHFFFAOYSA-N -1 3 398.810 3.548 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000736627619 598471402 /nfs/dbraw/zinc/47/14/02/598471402.db2.gz NXPNSZKOXGDICV-UHFFFAOYSA-N -1 3 398.810 3.548 20 0 GHADHM CC(C)Oc1cccc(OC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735913858 598485058 /nfs/dbraw/zinc/48/50/58/598485058.db2.gz TVOPZJFFCKVFAJ-LJQANCHMSA-N -1 3 396.447 3.663 20 0 GHADHM CC(C)Oc1cccc(OC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735913858 598485059 /nfs/dbraw/zinc/48/50/59/598485059.db2.gz TVOPZJFFCKVFAJ-LJQANCHMSA-N -1 3 396.447 3.663 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCSc1ccc(F)cc1 ZINC000735660288 598489499 /nfs/dbraw/zinc/48/94/99/598489499.db2.gz LFFWXUUVOVMILD-UHFFFAOYSA-N -1 3 388.472 3.683 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccc(F)cc1 ZINC000735660288 598489501 /nfs/dbraw/zinc/48/95/01/598489501.db2.gz LFFWXUUVOVMILD-UHFFFAOYSA-N -1 3 388.472 3.683 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000735661013 598489649 /nfs/dbraw/zinc/48/96/49/598489649.db2.gz HBSFLIXLGOCGSS-UHFFFAOYSA-N -1 3 395.854 3.877 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000735661013 598489650 /nfs/dbraw/zinc/48/96/50/598489650.db2.gz HBSFLIXLGOCGSS-UHFFFAOYSA-N -1 3 395.854 3.877 20 0 GHADHM CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732100 598495893 /nfs/dbraw/zinc/49/58/93/598495893.db2.gz JWLTXFCJKAECDD-UHFFFAOYSA-N -1 3 391.475 3.784 20 0 GHADHM CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732100 598495894 /nfs/dbraw/zinc/49/58/94/598495894.db2.gz JWLTXFCJKAECDD-UHFFFAOYSA-N -1 3 391.475 3.784 20 0 GHADHM CCC(CC)(NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736335394 598497853 /nfs/dbraw/zinc/49/78/53/598497853.db2.gz QWEJMOBXJBWGBJ-UHFFFAOYSA-N -1 3 399.882 3.731 20 0 GHADHM CCC(CC)(NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736335394 598497855 /nfs/dbraw/zinc/49/78/55/598497855.db2.gz QWEJMOBXJBWGBJ-UHFFFAOYSA-N -1 3 399.882 3.731 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738151110 598505710 /nfs/dbraw/zinc/50/57/10/598505710.db2.gz GCDNOFZYZUBMJF-UHFFFAOYSA-N -1 3 389.753 3.586 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738151110 598505712 /nfs/dbraw/zinc/50/57/12/598505712.db2.gz GCDNOFZYZUBMJF-UHFFFAOYSA-N -1 3 389.753 3.586 20 0 GHADHM COc1cccc(C2(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737130371 598512242 /nfs/dbraw/zinc/51/22/42/598512242.db2.gz WRAYPLRKPGDBNR-UHFFFAOYSA-N -1 3 392.463 3.509 20 0 GHADHM COc1cccc(C2(CNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737130371 598512243 /nfs/dbraw/zinc/51/22/43/598512243.db2.gz WRAYPLRKPGDBNR-UHFFFAOYSA-N -1 3 392.463 3.509 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000736676916 598517632 /nfs/dbraw/zinc/51/76/32/598517632.db2.gz VREIMZAYHQKLEN-UHFFFAOYSA-N -1 3 395.847 3.609 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000736676916 598517634 /nfs/dbraw/zinc/51/76/34/598517634.db2.gz VREIMZAYHQKLEN-UHFFFAOYSA-N -1 3 395.847 3.609 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCc3c2cccc3Br)n1 ZINC000737244275 598523481 /nfs/dbraw/zinc/52/34/81/598523481.db2.gz DOGBNZMRZZRYKD-CQSZACIVSA-N -1 3 385.269 3.740 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CCc3c2cccc3Br)n1 ZINC000737244275 598523482 /nfs/dbraw/zinc/52/34/82/598523482.db2.gz DOGBNZMRZZRYKD-CQSZACIVSA-N -1 3 385.269 3.740 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736820969 598533179 /nfs/dbraw/zinc/53/31/79/598533179.db2.gz SGXKIOCJMRCHBE-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736820969 598533181 /nfs/dbraw/zinc/53/31/81/598533181.db2.gz SGXKIOCJMRCHBE-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736456699 598534332 /nfs/dbraw/zinc/53/43/32/598534332.db2.gz HNGXKODWISSEHZ-UHFFFAOYSA-N -1 3 391.884 3.516 20 0 GHADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736456699 598534334 /nfs/dbraw/zinc/53/43/34/598534334.db2.gz HNGXKODWISSEHZ-UHFFFAOYSA-N -1 3 391.884 3.516 20 0 GHADHM CCCCC[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736440580 598539210 /nfs/dbraw/zinc/53/92/10/598539210.db2.gz FBXNIKYENBSXSM-CQSZACIVSA-N -1 3 383.452 3.737 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1csc2ccccc12 ZINC000738145389 598545937 /nfs/dbraw/zinc/54/59/37/598545937.db2.gz JJNSGEGCXDGWRA-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1csc2ccccc12 ZINC000738145389 598545938 /nfs/dbraw/zinc/54/59/38/598545938.db2.gz JJNSGEGCXDGWRA-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM CCCCC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736442770 598549803 /nfs/dbraw/zinc/54/98/03/598549803.db2.gz ZDGGRJHKAKNPPV-LJQANCHMSA-N -1 3 378.480 3.716 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000736814579 598555735 /nfs/dbraw/zinc/55/57/35/598555735.db2.gz QRKOCSIAMZBDCQ-UHFFFAOYSA-N -1 3 398.898 3.639 20 0 GHADHM O=C(Cc1cccs1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737975179 598555720 /nfs/dbraw/zinc/55/57/20/598555720.db2.gz LUBMGZXPDLROLA-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM O=C(Cc1cccs1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737975179 598555722 /nfs/dbraw/zinc/55/57/22/598555722.db2.gz LUBMGZXPDLROLA-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000736814579 598555737 /nfs/dbraw/zinc/55/57/37/598555737.db2.gz QRKOCSIAMZBDCQ-UHFFFAOYSA-N -1 3 398.898 3.639 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N(C)CC(C)C ZINC000737280916 598559208 /nfs/dbraw/zinc/55/92/08/598559208.db2.gz VTRCPJBICXVFPE-UHFFFAOYSA-N -1 3 394.479 3.874 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N(C)CC(C)C ZINC000737280916 598559209 /nfs/dbraw/zinc/55/92/09/598559209.db2.gz VTRCPJBICXVFPE-UHFFFAOYSA-N -1 3 394.479 3.874 20 0 GHADHM CC(C)CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000735798050 598559645 /nfs/dbraw/zinc/55/96/45/598559645.db2.gz URIKFDSOUJGGJQ-UHFFFAOYSA-N -1 3 380.399 3.511 20 0 GHADHM CC(C)CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000735798050 598559647 /nfs/dbraw/zinc/55/96/47/598559647.db2.gz URIKFDSOUJGGJQ-UHFFFAOYSA-N -1 3 380.399 3.511 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000737318436 598562126 /nfs/dbraw/zinc/56/21/26/598562126.db2.gz ASHRDCLEAPPYFE-VIFPVBQESA-N -1 3 394.407 3.721 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000737318436 598562128 /nfs/dbraw/zinc/56/21/28/598562128.db2.gz ASHRDCLEAPPYFE-VIFPVBQESA-N -1 3 394.407 3.721 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503245 598567868 /nfs/dbraw/zinc/56/78/68/598567868.db2.gz UQSFQFCIBWXEIP-JCURWCKSSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503245 598567870 /nfs/dbraw/zinc/56/78/70/598567870.db2.gz UQSFQFCIBWXEIP-JCURWCKSSA-N -1 3 397.429 3.858 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737033205 598571937 /nfs/dbraw/zinc/57/19/37/598571937.db2.gz UZULSUYEOCVACI-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737033205 598571938 /nfs/dbraw/zinc/57/19/38/598571938.db2.gz UZULSUYEOCVACI-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736164492 598583273 /nfs/dbraw/zinc/58/32/73/598583273.db2.gz OVLMDHQKIVKNMI-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736164492 598583275 /nfs/dbraw/zinc/58/32/75/598583275.db2.gz OVLMDHQKIVKNMI-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCC1(Sc2ccccc2)CCCC1 ZINC000737960903 598588730 /nfs/dbraw/zinc/58/87/30/598588730.db2.gz JEQPPRJXDLVLCJ-UHFFFAOYSA-N -1 3 393.516 3.631 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCC1(Sc2ccccc2)CCCC1 ZINC000737960903 598588732 /nfs/dbraw/zinc/58/87/32/598588732.db2.gz JEQPPRJXDLVLCJ-UHFFFAOYSA-N -1 3 393.516 3.631 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736119274 598600783 /nfs/dbraw/zinc/60/07/83/598600783.db2.gz XFMKEJFRYRTVDA-AWEZNQCLSA-N -1 3 379.468 3.594 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736119274 598600786 /nfs/dbraw/zinc/60/07/86/598600786.db2.gz XFMKEJFRYRTVDA-AWEZNQCLSA-N -1 3 379.468 3.594 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737400904 598601218 /nfs/dbraw/zinc/60/12/18/598601218.db2.gz GQNJHDNQEORTMN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737400904 598601220 /nfs/dbraw/zinc/60/12/20/598601220.db2.gz GQNJHDNQEORTMN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737851282 598609754 /nfs/dbraw/zinc/60/97/54/598609754.db2.gz FUNQRIWMIKTEKI-RTWAWAEBSA-N -1 3 389.503 3.717 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737851282 598609756 /nfs/dbraw/zinc/60/97/56/598609756.db2.gz FUNQRIWMIKTEKI-RTWAWAEBSA-N -1 3 389.503 3.717 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000736236798 598624282 /nfs/dbraw/zinc/62/42/82/598624282.db2.gz LCVUNVYUUMUENE-NHYWBVRUSA-N -1 3 396.426 3.919 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000736236798 598624283 /nfs/dbraw/zinc/62/42/83/598624283.db2.gz LCVUNVYUUMUENE-NHYWBVRUSA-N -1 3 396.426 3.919 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737209897 598629206 /nfs/dbraw/zinc/62/92/06/598629206.db2.gz WCRBZSRPXCQWAI-LLVKDONJSA-N -1 3 380.383 3.943 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737209897 598629208 /nfs/dbraw/zinc/62/92/08/598629208.db2.gz WCRBZSRPXCQWAI-LLVKDONJSA-N -1 3 380.383 3.943 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738410489 598644486 /nfs/dbraw/zinc/64/44/86/598644486.db2.gz ZHGQIIVJRFHFOG-CYBMUJFWSA-N -1 3 384.896 3.706 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738410489 598644488 /nfs/dbraw/zinc/64/44/88/598644488.db2.gz ZHGQIIVJRFHFOG-CYBMUJFWSA-N -1 3 384.896 3.706 20 0 GHADHM O=C(NC1CCCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738026048 598645815 /nfs/dbraw/zinc/64/58/15/598645815.db2.gz PCCHJWLMVOVYTH-UHFFFAOYSA-N -1 3 378.436 3.507 20 0 GHADHM O=C(NC1CCCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738026048 598645816 /nfs/dbraw/zinc/64/58/16/598645816.db2.gz PCCHJWLMVOVYTH-UHFFFAOYSA-N -1 3 378.436 3.507 20 0 GHADHM S=C(Nc1ccc(Oc2ccccc2)cn1)Nc1ccccc1-c1nnn[n-]1 ZINC000738406079 598646946 /nfs/dbraw/zinc/64/69/46/598646946.db2.gz AQZKFMZSRMNJTA-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM S=C(Nc1ccc(Oc2ccccc2)cn1)Nc1ccccc1-c1nn[n-]n1 ZINC000738406079 598646948 /nfs/dbraw/zinc/64/69/48/598646948.db2.gz AQZKFMZSRMNJTA-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737421162 598647421 /nfs/dbraw/zinc/64/74/21/598647421.db2.gz KKDCENREZLIMQS-MRXNPFEDSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737421162 598647423 /nfs/dbraw/zinc/64/74/23/598647423.db2.gz KKDCENREZLIMQS-MRXNPFEDSA-N -1 3 379.464 3.602 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1N1CCCCC1 ZINC000737949031 598647642 /nfs/dbraw/zinc/64/76/42/598647642.db2.gz VTHANPUUZQQHHE-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1N1CCCCC1 ZINC000737949031 598647644 /nfs/dbraw/zinc/64/76/44/598647644.db2.gz VTHANPUUZQQHHE-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000737833628 598649394 /nfs/dbraw/zinc/64/93/94/598649394.db2.gz YSQVTRFAKWXDIM-ZHALLVOQSA-N -1 3 397.523 3.891 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000737833628 598649395 /nfs/dbraw/zinc/64/93/95/598649395.db2.gz YSQVTRFAKWXDIM-ZHALLVOQSA-N -1 3 397.523 3.891 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2)co1 ZINC000737462926 598650986 /nfs/dbraw/zinc/65/09/86/598650986.db2.gz AVCOQFYDZGWQMH-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc2)co1 ZINC000737462926 598650987 /nfs/dbraw/zinc/65/09/87/598650987.db2.gz AVCOQFYDZGWQMH-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM CC(C)COc1ncccc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735844815 598651599 /nfs/dbraw/zinc/65/15/99/598651599.db2.gz NXUINXYCDGJKOI-UHFFFAOYSA-N -1 3 394.479 3.599 20 0 GHADHM CC(C)COc1ncccc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735844815 598651601 /nfs/dbraw/zinc/65/16/01/598651601.db2.gz NXUINXYCDGJKOI-UHFFFAOYSA-N -1 3 394.479 3.599 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503360 598651823 /nfs/dbraw/zinc/65/18/23/598651823.db2.gz VQFUMAWPQHVFBQ-HOTGVXAUSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503360 598651824 /nfs/dbraw/zinc/65/18/24/598651824.db2.gz VQFUMAWPQHVFBQ-HOTGVXAUSA-N -1 3 393.491 3.979 20 0 GHADHM CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000736646069 598652570 /nfs/dbraw/zinc/65/25/70/598652570.db2.gz DCJCDVPOTPPHMZ-UHFFFAOYSA-N -1 3 395.463 3.762 20 0 GHADHM CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000736646069 598652572 /nfs/dbraw/zinc/65/25/72/598652572.db2.gz DCJCDVPOTPPHMZ-UHFFFAOYSA-N -1 3 395.463 3.762 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737393239 598652786 /nfs/dbraw/zinc/65/27/86/598652786.db2.gz GMDPSRIWMCGJLT-UHFFFAOYSA-N -1 3 395.532 3.952 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737393239 598652788 /nfs/dbraw/zinc/65/27/88/598652788.db2.gz GMDPSRIWMCGJLT-UHFFFAOYSA-N -1 3 395.532 3.952 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736525127 598653060 /nfs/dbraw/zinc/65/30/60/598653060.db2.gz ZIYBLAXNKRRMPF-UHFFFAOYSA-N -1 3 391.353 3.683 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736525127 598653061 /nfs/dbraw/zinc/65/30/61/598653061.db2.gz ZIYBLAXNKRRMPF-UHFFFAOYSA-N -1 3 391.353 3.683 20 0 GHADHM Cc1ccc(C)c(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737321636 598653558 /nfs/dbraw/zinc/65/35/58/598653558.db2.gz HAHVCOQZYUOGIQ-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1ccc(C)c(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737321636 598653559 /nfs/dbraw/zinc/65/35/59/598653559.db2.gz HAHVCOQZYUOGIQ-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1cccc(F)c1 ZINC000735449893 598654161 /nfs/dbraw/zinc/65/41/61/598654161.db2.gz UXWLGXMDCMTSKA-UKTHLTGXSA-N -1 3 381.411 3.835 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1cccc(F)c1 ZINC000735449893 598654162 /nfs/dbraw/zinc/65/41/62/598654162.db2.gz UXWLGXMDCMTSKA-UKTHLTGXSA-N -1 3 381.411 3.835 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000737942225 598656012 /nfs/dbraw/zinc/65/60/12/598656012.db2.gz HUQKXXRVWYTYHG-LJQANCHMSA-N -1 3 391.500 3.637 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000737942225 598656013 /nfs/dbraw/zinc/65/60/13/598656013.db2.gz HUQKXXRVWYTYHG-LJQANCHMSA-N -1 3 391.500 3.637 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737329381 598657145 /nfs/dbraw/zinc/65/71/45/598657145.db2.gz GITSJIIARBHLPP-IBGZPJMESA-N -1 3 393.516 3.939 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737329381 598657147 /nfs/dbraw/zinc/65/71/47/598657147.db2.gz GITSJIIARBHLPP-IBGZPJMESA-N -1 3 393.516 3.939 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736441343 598657581 /nfs/dbraw/zinc/65/75/81/598657581.db2.gz PYFVCHDYZMFMPG-APWZRJJASA-N -1 3 385.512 3.891 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736441343 598657583 /nfs/dbraw/zinc/65/75/83/598657583.db2.gz PYFVCHDYZMFMPG-APWZRJJASA-N -1 3 385.512 3.891 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC2(CCCCC2)CC1 ZINC000737833178 598658271 /nfs/dbraw/zinc/65/82/71/598658271.db2.gz PYINSMXGTWEDCT-UHFFFAOYSA-N -1 3 397.523 3.989 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCCC2)CC1 ZINC000737833178 598658272 /nfs/dbraw/zinc/65/82/72/598658272.db2.gz PYINSMXGTWEDCT-UHFFFAOYSA-N -1 3 397.523 3.989 20 0 GHADHM O=C(NOCc1ccccc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738140402 598665396 /nfs/dbraw/zinc/66/53/96/598665396.db2.gz UMIUVDOGIOHEBO-UHFFFAOYSA-N -1 3 387.399 3.521 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322121 598666641 /nfs/dbraw/zinc/66/66/41/598666641.db2.gz ICIGJVJIQIZDSL-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736322121 598666643 /nfs/dbraw/zinc/66/66/43/598666643.db2.gz ICIGJVJIQIZDSL-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737422232 598666850 /nfs/dbraw/zinc/66/68/50/598666850.db2.gz MMNIIXDFRQHSBC-GOSISDBHSA-N -1 3 379.489 3.631 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737422232 598666851 /nfs/dbraw/zinc/66/68/51/598666851.db2.gz MMNIIXDFRQHSBC-GOSISDBHSA-N -1 3 379.489 3.631 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737795619 598669848 /nfs/dbraw/zinc/66/98/48/598669848.db2.gz BBMZRGJNHOCBQO-JCVNQNCUSA-N -1 3 379.851 3.549 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737795619 598669849 /nfs/dbraw/zinc/66/98/49/598669849.db2.gz BBMZRGJNHOCBQO-JCVNQNCUSA-N -1 3 379.851 3.549 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736214354 598670290 /nfs/dbraw/zinc/67/02/90/598670290.db2.gz NSUHWAPOCOZLEK-QGZVFWFLSA-N -1 3 397.866 3.512 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736214354 598670292 /nfs/dbraw/zinc/67/02/92/598670292.db2.gz NSUHWAPOCOZLEK-QGZVFWFLSA-N -1 3 397.866 3.512 20 0 GHADHM Clc1cc(NCc2cccc(COC3CCOCC3)c2)ccc1-c1nnn[n-]1 ZINC000737562951 598682047 /nfs/dbraw/zinc/68/20/47/598682047.db2.gz BISOACPGMIPRNQ-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1cc(NCc2cccc(COC3CCOCC3)c2)ccc1-c1nn[n-]n1 ZINC000737562951 598682048 /nfs/dbraw/zinc/68/20/48/598682048.db2.gz BISOACPGMIPRNQ-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM C[C@H](c1cccs1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736203950 598684451 /nfs/dbraw/zinc/68/44/51/598684451.db2.gz PNKHWBKZOJXLRF-CQSZACIVSA-N -1 3 385.493 3.697 20 0 GHADHM C[C@H](c1cccs1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736203950 598684453 /nfs/dbraw/zinc/68/44/53/598684453.db2.gz PNKHWBKZOJXLRF-CQSZACIVSA-N -1 3 385.493 3.697 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000738292245 598695299 /nfs/dbraw/zinc/69/52/99/598695299.db2.gz KCUGELVKTJXVBL-UHFFFAOYSA-N -1 3 396.451 3.568 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000738292245 598695301 /nfs/dbraw/zinc/69/53/01/598695301.db2.gz KCUGELVKTJXVBL-UHFFFAOYSA-N -1 3 396.451 3.568 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000736189712 598696091 /nfs/dbraw/zinc/69/60/91/598696091.db2.gz QPHPGRSFJDJZLO-ZIAGYGMSSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000736189712 598696093 /nfs/dbraw/zinc/69/60/93/598696093.db2.gz QPHPGRSFJDJZLO-ZIAGYGMSSA-N -1 3 399.495 3.547 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737317892 598701946 /nfs/dbraw/zinc/70/19/46/598701946.db2.gz QBDJHGYQYPVSTM-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737317892 598701947 /nfs/dbraw/zinc/70/19/47/598701947.db2.gz QBDJHGYQYPVSTM-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1[nH]c2ccc(F)cc2c1Cl ZINC000738233021 598710439 /nfs/dbraw/zinc/71/04/39/598710439.db2.gz ZMQMJJMNRUJEOF-UHFFFAOYSA-N -1 3 389.749 3.637 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1[nH]c2ccc(F)cc2c1Cl ZINC000738233021 598710442 /nfs/dbraw/zinc/71/04/42/598710442.db2.gz ZMQMJJMNRUJEOF-UHFFFAOYSA-N -1 3 389.749 3.637 20 0 GHADHM Clc1cc2cccnc2c(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737564756 598722917 /nfs/dbraw/zinc/72/29/17/598722917.db2.gz JWEYEXDFNSAPDZ-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM Clc1cc2cccnc2c(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737564756 598722919 /nfs/dbraw/zinc/72/29/19/598722919.db2.gz JWEYEXDFNSAPDZ-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM c1cn(Cc2csc(C3CCCC3)n2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738406042 598723657 /nfs/dbraw/zinc/72/36/57/598723657.db2.gz RNBAOTVRLRAREQ-UHFFFAOYSA-N -1 3 377.477 3.893 20 0 GHADHM c1cn(Cc2csc(C3CCCC3)n2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738406042 598723659 /nfs/dbraw/zinc/72/36/59/598723659.db2.gz RNBAOTVRLRAREQ-UHFFFAOYSA-N -1 3 377.477 3.893 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccc(Cl)c1 ZINC000737841551 598726523 /nfs/dbraw/zinc/72/65/23/598726523.db2.gz LXLVIMVAPXJOHZ-UHFFFAOYSA-N -1 3 386.839 3.813 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cccc(Cl)c1 ZINC000737841551 598726524 /nfs/dbraw/zinc/72/65/24/598726524.db2.gz LXLVIMVAPXJOHZ-UHFFFAOYSA-N -1 3 386.839 3.813 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000737425576 598735138 /nfs/dbraw/zinc/73/51/38/598735138.db2.gz AUPLJHHYTLUMKW-GFCCVEGCSA-N -1 3 381.505 3.933 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000737425576 598735140 /nfs/dbraw/zinc/73/51/40/598735140.db2.gz AUPLJHHYTLUMKW-GFCCVEGCSA-N -1 3 381.505 3.933 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738151922 598761122 /nfs/dbraw/zinc/76/11/22/598761122.db2.gz KVLVUQYVHLGLGW-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000738151922 598761124 /nfs/dbraw/zinc/76/11/24/598761124.db2.gz KVLVUQYVHLGLGW-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM CCCCc1nc(-c2ccc(OC(=O)c3sccc3-c3nnn[n-]3)cc2)no1 ZINC000736465653 598763983 /nfs/dbraw/zinc/76/39/83/598763983.db2.gz HRQVHPYIMGHEQX-UHFFFAOYSA-N -1 3 396.432 3.540 20 0 GHADHM CCOCc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736625619 598770205 /nfs/dbraw/zinc/77/02/05/598770205.db2.gz JFHVJYYOHYILEC-UHFFFAOYSA-N -1 3 396.401 3.842 20 0 GHADHM CCOCc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736625619 598770206 /nfs/dbraw/zinc/77/02/06/598770206.db2.gz JFHVJYYOHYILEC-UHFFFAOYSA-N -1 3 396.401 3.842 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736665255 598770982 /nfs/dbraw/zinc/77/09/82/598770982.db2.gz GKNWSVICZJZGDN-CYBMUJFWSA-N -1 3 382.493 3.539 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736665255 598770983 /nfs/dbraw/zinc/77/09/83/598770983.db2.gz GKNWSVICZJZGDN-CYBMUJFWSA-N -1 3 382.493 3.539 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCOC3CCCCC3)c2c1 ZINC000737653073 598771406 /nfs/dbraw/zinc/77/14/06/598771406.db2.gz QCMCHKFOQRIGOS-UHFFFAOYSA-N -1 3 388.422 3.844 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCOC3CCCCC3)c2c1 ZINC000737653073 598771407 /nfs/dbraw/zinc/77/14/07/598771407.db2.gz QCMCHKFOQRIGOS-UHFFFAOYSA-N -1 3 388.422 3.844 20 0 GHADHM COCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736997314 598775605 /nfs/dbraw/zinc/77/56/05/598775605.db2.gz LQNLKHNMIPKYKJ-UHFFFAOYSA-N -1 3 391.397 3.544 20 0 GHADHM COCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736997314 598775607 /nfs/dbraw/zinc/77/56/07/598775607.db2.gz LQNLKHNMIPKYKJ-UHFFFAOYSA-N -1 3 391.397 3.544 20 0 GHADHM C[C@H](OC(=O)CCCC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736151013 598780314 /nfs/dbraw/zinc/78/03/14/598780314.db2.gz PMXQQJDMPCNPOP-NSHDSACASA-N -1 3 393.875 3.607 20 0 GHADHM C[C@H](OC(=O)CCCC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736151013 598780315 /nfs/dbraw/zinc/78/03/15/598780315.db2.gz PMXQQJDMPCNPOP-NSHDSACASA-N -1 3 393.875 3.607 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110315 598781385 /nfs/dbraw/zinc/78/13/85/598781385.db2.gz IGUVXMFHCFGYSW-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110315 598781386 /nfs/dbraw/zinc/78/13/86/598781386.db2.gz IGUVXMFHCFGYSW-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CCCCOc1ccccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736463093 598786518 /nfs/dbraw/zinc/78/65/18/598786518.db2.gz LFBQYZRDCNECLP-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM CCCCOc1ccccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736463093 598786520 /nfs/dbraw/zinc/78/65/20/598786520.db2.gz LFBQYZRDCNECLP-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000736259690 598789505 /nfs/dbraw/zinc/78/95/05/598789505.db2.gz GBGGQPNNCXQURL-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000736259690 598789507 /nfs/dbraw/zinc/78/95/07/598789507.db2.gz GBGGQPNNCXQURL-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)C1 ZINC000736261572 598789605 /nfs/dbraw/zinc/78/96/05/598789605.db2.gz KRCOXYPCBAZWKR-HOTGVXAUSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)C1 ZINC000736261572 598789607 /nfs/dbraw/zinc/78/96/07/598789607.db2.gz KRCOXYPCBAZWKR-HOTGVXAUSA-N -1 3 395.463 3.588 20 0 GHADHM COc1cc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737044763 598791809 /nfs/dbraw/zinc/79/18/09/598791809.db2.gz FBQRLBFLTILFRI-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1cc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000737044763 598791810 /nfs/dbraw/zinc/79/18/10/598791810.db2.gz FBQRLBFLTILFRI-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000735624839 598795582 /nfs/dbraw/zinc/79/55/82/598795582.db2.gz BGITVEDOPFTNIH-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000735624839 598795584 /nfs/dbraw/zinc/79/55/84/598795584.db2.gz BGITVEDOPFTNIH-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000737090479 598796100 /nfs/dbraw/zinc/79/61/00/598796100.db2.gz PNXLITDRMZSRHZ-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM COc1ccc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000737090479 598796102 /nfs/dbraw/zinc/79/61/02/598796102.db2.gz PNXLITDRMZSRHZ-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737463665 598802835 /nfs/dbraw/zinc/80/28/35/598802835.db2.gz YPBPHGZKATUQRS-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737463665 598802837 /nfs/dbraw/zinc/80/28/37/598802837.db2.gz YPBPHGZKATUQRS-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc2[nH]ccc2c1 ZINC000737833088 598811405 /nfs/dbraw/zinc/81/14/05/598811405.db2.gz OGRFXNQOQOHCKR-UHFFFAOYSA-N -1 3 376.420 3.536 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc2[nH]ccc2c1 ZINC000737833088 598811407 /nfs/dbraw/zinc/81/14/07/598811407.db2.gz OGRFXNQOQOHCKR-UHFFFAOYSA-N -1 3 376.420 3.536 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1COc2ccccc21 ZINC000738250142 598822506 /nfs/dbraw/zinc/82/25/06/598822506.db2.gz CWMLTKTYTUCZIQ-IBGZPJMESA-N -1 3 384.395 3.615 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1COc2ccccc21 ZINC000738250142 598822507 /nfs/dbraw/zinc/82/25/07/598822507.db2.gz CWMLTKTYTUCZIQ-IBGZPJMESA-N -1 3 384.395 3.615 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735596599 599304599 /nfs/dbraw/zinc/30/45/99/599304599.db2.gz KPCDRSXEOFHVCM-ZWNOBZJWSA-N -1 3 384.406 3.534 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735596599 599304600 /nfs/dbraw/zinc/30/46/00/599304600.db2.gz KPCDRSXEOFHVCM-ZWNOBZJWSA-N -1 3 384.406 3.534 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736169408 599306534 /nfs/dbraw/zinc/30/65/34/599306534.db2.gz NFHDLMMVHZCWJW-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736169408 599306537 /nfs/dbraw/zinc/30/65/37/599306537.db2.gz NFHDLMMVHZCWJW-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000821099420 599313501 /nfs/dbraw/zinc/31/35/01/599313501.db2.gz GYAIKLRTPDOSRX-REWPJTCUSA-N -1 3 387.487 3.509 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000821099420 599313503 /nfs/dbraw/zinc/31/35/03/599313503.db2.gz GYAIKLRTPDOSRX-REWPJTCUSA-N -1 3 387.487 3.509 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000821401707 599315271 /nfs/dbraw/zinc/31/52/71/599315271.db2.gz ZJMGKSACTZAFHZ-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000821401707 599315273 /nfs/dbraw/zinc/31/52/73/599315273.db2.gz ZJMGKSACTZAFHZ-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820690650 599320037 /nfs/dbraw/zinc/32/00/37/599320037.db2.gz PPWDHVIVSPGIID-YOEHRIQHSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820690650 599320039 /nfs/dbraw/zinc/32/00/39/599320039.db2.gz PPWDHVIVSPGIID-YOEHRIQHSA-N -1 3 393.447 3.945 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1OC(F)F ZINC000735904805 599328004 /nfs/dbraw/zinc/32/80/04/599328004.db2.gz BRTVPEAKSNALGE-UHFFFAOYSA-N -1 3 375.379 3.867 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1OC(F)F ZINC000735904805 599328007 /nfs/dbraw/zinc/32/80/07/599328007.db2.gz BRTVPEAKSNALGE-UHFFFAOYSA-N -1 3 375.379 3.867 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343416 599329421 /nfs/dbraw/zinc/32/94/21/599329421.db2.gz XFUUGEBTBKIWSU-HUUCEWRRSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343416 599329422 /nfs/dbraw/zinc/32/94/22/599329422.db2.gz XFUUGEBTBKIWSU-HUUCEWRRSA-N -1 3 381.505 3.674 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000736188549 599330432 /nfs/dbraw/zinc/33/04/32/599330432.db2.gz KZNWCRFGCURWGE-HUUCEWRRSA-N -1 3 381.505 3.708 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000736188549 599330434 /nfs/dbraw/zinc/33/04/34/599330434.db2.gz KZNWCRFGCURWGE-HUUCEWRRSA-N -1 3 381.505 3.708 20 0 GHADHM C[C@H](SCC(=O)N1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187992 599330695 /nfs/dbraw/zinc/33/06/95/599330695.db2.gz GFQOYEPRBZUWTP-AWEZNQCLSA-N -1 3 379.489 3.640 20 0 GHADHM C[C@H](SCC(=O)N1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187992 599330698 /nfs/dbraw/zinc/33/06/98/599330698.db2.gz GFQOYEPRBZUWTP-AWEZNQCLSA-N -1 3 379.489 3.640 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188286 599332662 /nfs/dbraw/zinc/33/26/62/599332662.db2.gz KCCDACWQNWLKMM-UGSOOPFHSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188286 599332665 /nfs/dbraw/zinc/33/26/65/599332665.db2.gz KCCDACWQNWLKMM-UGSOOPFHSA-N -1 3 397.479 3.996 20 0 GHADHM O=C(NCCCc1ccc(O)cc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738075559 599335442 /nfs/dbraw/zinc/33/54/42/599335442.db2.gz LUODZXVFSOEXAS-UHFFFAOYSA-N -1 3 399.454 3.602 20 0 GHADHM O=C(NCCCc1ccc(O)cc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738075559 599335445 /nfs/dbraw/zinc/33/54/45/599335445.db2.gz LUODZXVFSOEXAS-UHFFFAOYSA-N -1 3 399.454 3.602 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000737472268 599340447 /nfs/dbraw/zinc/34/04/47/599340447.db2.gz YIBWFUNXRXVTNU-LLVKDONJSA-N -1 3 379.449 3.782 20 0 GHADHM COc1ccccc1NC(=O)[C@H](Sc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821899338 599343034 /nfs/dbraw/zinc/34/30/34/599343034.db2.gz XMRYMPJGSNKAAO-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@H](Sc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821899338 599343036 /nfs/dbraw/zinc/34/30/36/599343036.db2.gz XMRYMPJGSNKAAO-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820555002 599344288 /nfs/dbraw/zinc/34/42/88/599344288.db2.gz DKJKSEOZSWSFQY-OAHLLOKOSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820555002 599344289 /nfs/dbraw/zinc/34/42/89/599344289.db2.gz DKJKSEOZSWSFQY-OAHLLOKOSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820031695 599346427 /nfs/dbraw/zinc/34/64/27/599346427.db2.gz HNTMTLXIZHEFKA-LIRRHRJNSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820031695 599346430 /nfs/dbraw/zinc/34/64/30/599346430.db2.gz HNTMTLXIZHEFKA-LIRRHRJNSA-N -1 3 393.516 3.961 20 0 GHADHM CCN(C(=O)CSc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000821155336 599347224 /nfs/dbraw/zinc/34/72/24/599347224.db2.gz YHJNATVFTDOXEB-ZDUSSCGKSA-N -1 3 385.468 3.708 20 0 GHADHM CCN(C(=O)CSc1ccccc1-c1nn[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000821155336 599347226 /nfs/dbraw/zinc/34/72/26/599347226.db2.gz YHJNATVFTDOXEB-ZDUSSCGKSA-N -1 3 385.468 3.708 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820555835 599347432 /nfs/dbraw/zinc/34/74/32/599347432.db2.gz QAFOXGFQWAYYTJ-OCCSQVGLSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820555835 599347436 /nfs/dbraw/zinc/34/74/36/599347436.db2.gz QAFOXGFQWAYYTJ-OCCSQVGLSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736239911 599384359 /nfs/dbraw/zinc/38/43/59/599384359.db2.gz URVJIJQEVWHPBT-MDZRGWNJSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736239911 599384361 /nfs/dbraw/zinc/38/43/61/599384361.db2.gz URVJIJQEVWHPBT-MDZRGWNJSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)O1 ZINC000820691509 599384778 /nfs/dbraw/zinc/38/47/78/599384778.db2.gz YBHMUIISBBQBNE-XJKSGUPXSA-N -1 3 397.504 3.559 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822154805 599390662 /nfs/dbraw/zinc/39/06/62/599390662.db2.gz ZUTVFUOEOUPBHT-QWHCGFSZSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822154805 599390665 /nfs/dbraw/zinc/39/06/65/599390665.db2.gz ZUTVFUOEOUPBHT-QWHCGFSZSA-N -1 3 393.426 3.776 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820298876 599419262 /nfs/dbraw/zinc/41/92/62/599419262.db2.gz BXSOXTLAOMMYNE-STQMWFEESA-N -1 3 384.871 3.512 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820298876 599419264 /nfs/dbraw/zinc/41/92/64/599419264.db2.gz BXSOXTLAOMMYNE-STQMWFEESA-N -1 3 384.871 3.512 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000737582847 599430331 /nfs/dbraw/zinc/43/03/31/599430331.db2.gz GKLSYFYGUQYOAA-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000737582847 599430332 /nfs/dbraw/zinc/43/03/32/599430332.db2.gz GKLSYFYGUQYOAA-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357890 599430350 /nfs/dbraw/zinc/43/03/50/599430350.db2.gz KDGUAWVSWJTJRQ-IFXJQAMLSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357890 599430352 /nfs/dbraw/zinc/43/03/52/599430352.db2.gz KDGUAWVSWJTJRQ-IFXJQAMLSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000824053395 607377436 /nfs/dbraw/zinc/37/74/36/607377436.db2.gz XYWXDCBLFDLMRE-AWEZNQCLSA-N -1 3 386.411 3.550 20 0 GHADHM C[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000824053395 607377438 /nfs/dbraw/zinc/37/74/38/607377438.db2.gz XYWXDCBLFDLMRE-AWEZNQCLSA-N -1 3 386.411 3.550 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000822419780 599432067 /nfs/dbraw/zinc/43/20/67/599432067.db2.gz VITQURSQPARPCE-SNVBAGLBSA-N -1 3 384.440 3.882 20 0 GHADHM Fc1ccccc1C1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737664909 599441145 /nfs/dbraw/zinc/44/11/45/599441145.db2.gz QAINGQJEHLLNHP-UHFFFAOYSA-N -1 3 392.360 3.804 20 0 GHADHM Fc1ccccc1C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737664909 599441148 /nfs/dbraw/zinc/44/11/48/599441148.db2.gz QAINGQJEHLLNHP-UHFFFAOYSA-N -1 3 392.360 3.804 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736112432 599452907 /nfs/dbraw/zinc/45/29/07/599452907.db2.gz RFSGALYDPSZYLM-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736112432 599452910 /nfs/dbraw/zinc/45/29/10/599452910.db2.gz RFSGALYDPSZYLM-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820937951 599458947 /nfs/dbraw/zinc/45/89/47/599458947.db2.gz FQEARXPFCUBAIG-SFHVURJKSA-N -1 3 382.443 3.689 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820937951 599458949 /nfs/dbraw/zinc/45/89/49/599458949.db2.gz FQEARXPFCUBAIG-SFHVURJKSA-N -1 3 382.443 3.689 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820937949 599459140 /nfs/dbraw/zinc/45/91/40/599459140.db2.gz FQEARXPFCUBAIG-GOSISDBHSA-N -1 3 382.443 3.689 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820937949 599459142 /nfs/dbraw/zinc/45/91/42/599459142.db2.gz FQEARXPFCUBAIG-GOSISDBHSA-N -1 3 382.443 3.689 20 0 GHADHM CCO[C@@H](C)c1nc(CSCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736619748 599480355 /nfs/dbraw/zinc/48/03/55/599480355.db2.gz ZKKUKCCGJNODHO-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM CCO[C@@H](C)c1nc(CSCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736619748 599480357 /nfs/dbraw/zinc/48/03/57/599480357.db2.gz ZKKUKCCGJNODHO-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340982 599482526 /nfs/dbraw/zinc/48/25/26/599482526.db2.gz OGOLQPXAXDTCPV-TWOQFEAHSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340982 599482528 /nfs/dbraw/zinc/48/25/28/599482528.db2.gz OGOLQPXAXDTCPV-TWOQFEAHSA-N -1 3 390.491 3.763 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccn(-c2ccccc2)n1 ZINC000822333069 599486234 /nfs/dbraw/zinc/48/62/34/599486234.db2.gz VSHQLXRPGLZIHB-UHFFFAOYSA-N -1 3 396.458 3.545 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccn(-c2ccccc2)n1 ZINC000822333069 599486235 /nfs/dbraw/zinc/48/62/35/599486235.db2.gz VSHQLXRPGLZIHB-UHFFFAOYSA-N -1 3 396.458 3.545 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCCN(c4ccccc4)CC3)c2c1 ZINC000822195369 599488514 /nfs/dbraw/zinc/48/85/14/599488514.db2.gz PXUFHXADLBRUFE-UHFFFAOYSA-N -1 3 399.502 3.748 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCCN(c4ccccc4)CC3)c2c1 ZINC000822195369 599488517 /nfs/dbraw/zinc/48/85/17/599488517.db2.gz PXUFHXADLBRUFE-UHFFFAOYSA-N -1 3 399.502 3.748 20 0 GHADHM CCc1nc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cs1 ZINC000821510016 599495096 /nfs/dbraw/zinc/49/50/96/599495096.db2.gz SJQRQEUQZDXCEH-UHFFFAOYSA-N -1 3 385.884 3.724 20 0 GHADHM CCc1nc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cs1 ZINC000821510016 599495097 /nfs/dbraw/zinc/49/50/97/599495097.db2.gz SJQRQEUQZDXCEH-UHFFFAOYSA-N -1 3 385.884 3.724 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000737061830 599502006 /nfs/dbraw/zinc/50/20/06/599502006.db2.gz DTVDIYQDJZEXKN-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000737061830 599502008 /nfs/dbraw/zinc/50/20/08/599502008.db2.gz DTVDIYQDJZEXKN-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737180066 599504769 /nfs/dbraw/zinc/50/47/69/599504769.db2.gz AWTRHGZGSKFWNV-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737180066 599504771 /nfs/dbraw/zinc/50/47/71/599504771.db2.gz AWTRHGZGSKFWNV-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397025 599512383 /nfs/dbraw/zinc/51/23/83/599512383.db2.gz KMZUDNPVKSKSAS-SNVBAGLBSA-N -1 3 375.404 3.672 20 0 GHADHM C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397025 599512384 /nfs/dbraw/zinc/51/23/84/599512384.db2.gz KMZUDNPVKSKSAS-SNVBAGLBSA-N -1 3 375.404 3.672 20 0 GHADHM C[C@@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314138 599521292 /nfs/dbraw/zinc/52/12/92/599521292.db2.gz HZRURYUQCLHFKP-IERDGZPVSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314138 599521294 /nfs/dbraw/zinc/52/12/94/599521294.db2.gz HZRURYUQCLHFKP-IERDGZPVSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820236219 607382392 /nfs/dbraw/zinc/38/23/92/607382392.db2.gz ZRQNOXHXIQJPBE-HWPZZCPQSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820236219 607382394 /nfs/dbraw/zinc/38/23/94/607382394.db2.gz ZRQNOXHXIQJPBE-HWPZZCPQSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820335192 599528618 /nfs/dbraw/zinc/52/86/18/599528618.db2.gz VNJJFUBYCWFICI-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820335192 599528622 /nfs/dbraw/zinc/52/86/22/599528622.db2.gz VNJJFUBYCWFICI-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820316435 599537991 /nfs/dbraw/zinc/53/79/91/599537991.db2.gz VWEYULCFFQZEAV-NWDGAFQWSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820316435 599537995 /nfs/dbraw/zinc/53/79/95/599537995.db2.gz VWEYULCFFQZEAV-NWDGAFQWSA-N -1 3 389.381 3.866 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C1(c2cccs2)CCCCC1 ZINC000737024687 599540560 /nfs/dbraw/zinc/54/05/60/599540560.db2.gz MYODZKNYNUDLLZ-UHFFFAOYSA-N -1 3 384.461 3.744 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C1(c2cccs2)CCCCC1 ZINC000737024687 599540562 /nfs/dbraw/zinc/54/05/62/599540562.db2.gz MYODZKNYNUDLLZ-UHFFFAOYSA-N -1 3 384.461 3.744 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404528 599542398 /nfs/dbraw/zinc/54/23/98/599542398.db2.gz XDQORCHLIIFUEF-SNVBAGLBSA-N -1 3 382.474 3.543 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404528 599542399 /nfs/dbraw/zinc/54/23/99/599542399.db2.gz XDQORCHLIIFUEF-SNVBAGLBSA-N -1 3 382.474 3.543 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737547636 599543453 /nfs/dbraw/zinc/54/34/53/599543453.db2.gz MDCYITZYQATIHX-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737547636 599543455 /nfs/dbraw/zinc/54/34/55/599543455.db2.gz MDCYITZYQATIHX-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820684190 599546892 /nfs/dbraw/zinc/54/68/92/599546892.db2.gz MXAPBKDGXOHGQK-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820684190 599546894 /nfs/dbraw/zinc/54/68/94/599546894.db2.gz MXAPBKDGXOHGQK-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820683644 599547157 /nfs/dbraw/zinc/54/71/57/599547157.db2.gz FEOFHZDMJYRZGM-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820683644 599547159 /nfs/dbraw/zinc/54/71/59/599547159.db2.gz FEOFHZDMJYRZGM-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736223932 599561814 /nfs/dbraw/zinc/56/18/14/599561814.db2.gz KBFAXSLFSRCEHM-GASCZTMLSA-N -1 3 376.464 3.728 20 0 GHADHM O=C(Nc1ccc2n[nH]cc2c1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738174562 599563699 /nfs/dbraw/zinc/56/36/99/599563699.db2.gz KJTZXNGPNCDXPS-UHFFFAOYSA-N -1 3 396.414 3.739 20 0 GHADHM CCC[C@H]1SCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736435047 599569152 /nfs/dbraw/zinc/56/91/52/599569152.db2.gz JGBFXKDUUHIGCV-GOSISDBHSA-N -1 3 394.504 3.926 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332956 599575969 /nfs/dbraw/zinc/57/59/69/599575969.db2.gz ZBJGRJOITHQZLD-IERDGZPVSA-N -1 3 390.491 3.587 20 0 GHADHM Cc1ccc(CCN(Cc2ccccc2-c2nnn[n-]2)CC(F)(F)F)cc1 ZINC000822236287 599583906 /nfs/dbraw/zinc/58/39/06/599583906.db2.gz SGJZHRYIUOGMDY-UHFFFAOYSA-N -1 3 375.398 3.782 20 0 GHADHM Cc1ccc(CCN(Cc2ccccc2-c2nn[n-]n2)CC(F)(F)F)cc1 ZINC000822236287 599583908 /nfs/dbraw/zinc/58/39/08/599583908.db2.gz SGJZHRYIUOGMDY-UHFFFAOYSA-N -1 3 375.398 3.782 20 0 GHADHM CC[C@@H](SCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736390116 599598682 /nfs/dbraw/zinc/59/86/82/599598682.db2.gz GQTKPYFNXYKMNG-MRXNPFEDSA-N -1 3 389.431 3.968 20 0 GHADHM CC[C@@H](SCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736390116 599598684 /nfs/dbraw/zinc/59/86/84/599598684.db2.gz GQTKPYFNXYKMNG-MRXNPFEDSA-N -1 3 389.431 3.968 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000737336591 599599679 /nfs/dbraw/zinc/59/96/79/599599679.db2.gz ZPEPMOKICBGLIU-NSHDSACASA-N -1 3 387.513 3.546 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000737336591 599599680 /nfs/dbraw/zinc/59/96/80/599599680.db2.gz ZPEPMOKICBGLIU-NSHDSACASA-N -1 3 387.513 3.546 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736300808 599608455 /nfs/dbraw/zinc/60/84/55/599608455.db2.gz GCXBKOTZFHQPMS-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736300808 599608457 /nfs/dbraw/zinc/60/84/57/599608457.db2.gz GCXBKOTZFHQPMS-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737329285 599611881 /nfs/dbraw/zinc/61/18/81/599611881.db2.gz ITTWLADHUFAOKN-OXQOHEQNSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737329285 599611883 /nfs/dbraw/zinc/61/18/83/599611883.db2.gz ITTWLADHUFAOKN-OXQOHEQNSA-N -1 3 390.491 3.858 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225184 599622217 /nfs/dbraw/zinc/62/22/17/599622217.db2.gz CRGGUKBQTRGKJT-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225184 599622218 /nfs/dbraw/zinc/62/22/18/599622218.db2.gz CRGGUKBQTRGKJT-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820253180 599628431 /nfs/dbraw/zinc/62/84/31/599628431.db2.gz GNWPBVYHOSLMHT-LLVKDONJSA-N -1 3 385.468 3.763 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820253180 599628432 /nfs/dbraw/zinc/62/84/32/599628432.db2.gz GNWPBVYHOSLMHT-LLVKDONJSA-N -1 3 385.468 3.763 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820937658 599628572 /nfs/dbraw/zinc/62/85/72/599628572.db2.gz BLGDALASZUIQCH-GDLCADMTSA-N -1 3 377.514 3.857 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820937658 599628573 /nfs/dbraw/zinc/62/85/73/599628573.db2.gz BLGDALASZUIQCH-GDLCADMTSA-N -1 3 377.514 3.857 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822293893 599630041 /nfs/dbraw/zinc/63/00/41/599630041.db2.gz QGHNBNNSQOXSJN-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822293893 599630042 /nfs/dbraw/zinc/63/00/42/599630042.db2.gz QGHNBNNSQOXSJN-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820254721 599630230 /nfs/dbraw/zinc/63/02/30/599630230.db2.gz VPQMPBYWJMNTBP-ZDUSSCGKSA-N -1 3 384.459 3.770 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820254721 599630231 /nfs/dbraw/zinc/63/02/31/599630231.db2.gz VPQMPBYWJMNTBP-ZDUSSCGKSA-N -1 3 384.459 3.770 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000819971427 599630251 /nfs/dbraw/zinc/63/02/51/599630251.db2.gz KSHNTOIDSMQKDQ-VGOFRKELSA-N -1 3 390.491 3.656 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000819971427 599630252 /nfs/dbraw/zinc/63/02/52/599630252.db2.gz KSHNTOIDSMQKDQ-VGOFRKELSA-N -1 3 390.491 3.656 20 0 GHADHM CC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820178432 599632463 /nfs/dbraw/zinc/63/24/63/599632463.db2.gz PUPANEKDKXESGG-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM CC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820178432 599632464 /nfs/dbraw/zinc/63/24/64/599632464.db2.gz PUPANEKDKXESGG-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM Cc1cnc(COC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)o1 ZINC000822394734 599648805 /nfs/dbraw/zinc/64/88/05/599648805.db2.gz FQEGDBHILNGELS-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cc1cnc(COC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)o1 ZINC000822394734 599648806 /nfs/dbraw/zinc/64/88/06/599648806.db2.gz FQEGDBHILNGELS-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM O=C(COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000823397220 599662869 /nfs/dbraw/zinc/66/28/69/599662869.db2.gz STINZPHFHTVPIC-UHFFFAOYSA-N -1 3 391.431 3.526 20 0 GHADHM CCCCCC[C@@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821048413 599665162 /nfs/dbraw/zinc/66/51/62/599665162.db2.gz CPSOKGWSDROAHQ-GFCCVEGCSA-N -1 3 393.875 3.608 20 0 GHADHM CCCCCC[C@@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821048413 599665163 /nfs/dbraw/zinc/66/51/63/599665163.db2.gz CPSOKGWSDROAHQ-GFCCVEGCSA-N -1 3 393.875 3.608 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)c1ccccc1 ZINC000820921533 599674177 /nfs/dbraw/zinc/67/41/77/599674177.db2.gz ZEKPNQYKECIPTO-GOSISDBHSA-N -1 3 396.470 3.561 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)c1ccccc1 ZINC000820921533 599674178 /nfs/dbraw/zinc/67/41/78/599674178.db2.gz ZEKPNQYKECIPTO-GOSISDBHSA-N -1 3 396.470 3.561 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822233155 599675207 /nfs/dbraw/zinc/67/52/07/599675207.db2.gz ITWGMEOJPBJGJK-PXAZEXFGSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822233155 599675208 /nfs/dbraw/zinc/67/52/08/599675208.db2.gz ITWGMEOJPBJGJK-PXAZEXFGSA-N -1 3 398.442 3.590 20 0 GHADHM CCC(CC)(CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820887669 599686663 /nfs/dbraw/zinc/68/66/63/599686663.db2.gz LJFPPYSWEVHBRC-UHFFFAOYSA-N -1 3 378.452 3.501 20 0 GHADHM CCC(CC)(CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820887669 599686664 /nfs/dbraw/zinc/68/66/64/599686664.db2.gz LJFPPYSWEVHBRC-UHFFFAOYSA-N -1 3 378.452 3.501 20 0 GHADHM CCC(CC)(CNc1ccc(F)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820887731 599686674 /nfs/dbraw/zinc/68/66/74/599686674.db2.gz OEXKPQXRMAVCQR-UHFFFAOYSA-N -1 3 378.452 3.501 20 0 GHADHM CCC(CC)(CNc1ccc(F)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820887731 599686675 /nfs/dbraw/zinc/68/66/75/599686675.db2.gz OEXKPQXRMAVCQR-UHFFFAOYSA-N -1 3 378.452 3.501 20 0 GHADHM CN(C)Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1 ZINC000737370933 599701295 /nfs/dbraw/zinc/70/12/95/599701295.db2.gz SHXRWVPQGVFFGY-UHFFFAOYSA-N -1 3 395.484 3.746 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)N(C)C)cc1 ZINC000737258526 599828639 /nfs/dbraw/zinc/82/86/39/599828639.db2.gz GZKMCSOBGGLCOX-FQEVSTJZSA-N -1 3 383.492 3.691 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000820168839 607401989 /nfs/dbraw/zinc/40/19/89/607401989.db2.gz CARRIZXYUCYMBE-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c(F)cccc2Cl)cc1-c1nn[n-]n1 ZINC000820168839 607401990 /nfs/dbraw/zinc/40/19/90/607401990.db2.gz CARRIZXYUCYMBE-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM O=C(Nc1ccc(Sc2ccncc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000823356923 607408295 /nfs/dbraw/zinc/40/82/95/607408295.db2.gz RQYZIVIFBQVVFG-UHFFFAOYSA-N -1 3 380.458 3.727 20 0 GHADHM O=C(Nc1ccc(Sc2ccncc2)cc1)c1sccc1-c1nn[n-]n1 ZINC000823356923 607408296 /nfs/dbraw/zinc/40/82/96/607408296.db2.gz RQYZIVIFBQVVFG-UHFFFAOYSA-N -1 3 380.458 3.727 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCOc1ccccc1)CC2 ZINC000567054910 599984415 /nfs/dbraw/zinc/98/44/15/599984415.db2.gz DFSDJEOZAABIQD-IBGZPJMESA-N -1 3 385.460 3.547 20 0 GHADHM CCOC(=O)N(C)C1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000737144737 599995001 /nfs/dbraw/zinc/99/50/01/599995001.db2.gz RCWHIORTAXZFNY-UHFFFAOYSA-N -1 3 394.468 3.791 20 0 GHADHM CN(C[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737408870 600091842 /nfs/dbraw/zinc/09/18/42/600091842.db2.gz FKBXBRDJUWJIKD-CQSZACIVSA-N -1 3 380.460 3.603 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c2)c1 ZINC000826295777 607419545 /nfs/dbraw/zinc/41/95/45/607419545.db2.gz XIYFVFKEPWKOOO-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c2)c1 ZINC000826295777 607419546 /nfs/dbraw/zinc/41/95/46/607419546.db2.gz XIYFVFKEPWKOOO-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM O=C([O-])c1cccc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000263500240 600146191 /nfs/dbraw/zinc/14/61/91/600146191.db2.gz VFJJIMWRMWDBJT-LJQANCHMSA-N -1 3 384.863 3.986 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826316186 607428939 /nfs/dbraw/zinc/42/89/39/607428939.db2.gz GTTSUNGSEBLAFT-VXGBXAGGSA-N -1 3 385.518 3.919 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826316186 607428941 /nfs/dbraw/zinc/42/89/41/607428941.db2.gz GTTSUNGSEBLAFT-VXGBXAGGSA-N -1 3 385.518 3.919 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821778103 607430285 /nfs/dbraw/zinc/43/02/85/607430285.db2.gz UEYFXGZASAGMGH-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821778103 607430287 /nfs/dbraw/zinc/43/02/87/607430287.db2.gz UEYFXGZASAGMGH-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826316390 607432454 /nfs/dbraw/zinc/43/24/54/607432454.db2.gz MSAWEKAHFRHSLT-NEPJUHHUSA-N -1 3 393.394 3.998 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826316390 607432456 /nfs/dbraw/zinc/43/24/56/607432456.db2.gz MSAWEKAHFRHSLT-NEPJUHHUSA-N -1 3 393.394 3.998 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc(Br)c1OC ZINC000737885868 600432039 /nfs/dbraw/zinc/43/20/39/600432039.db2.gz KMTJFXYKGQHAQW-HNNXBMFYSA-N -1 3 398.228 3.521 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000736715310 600481134 /nfs/dbraw/zinc/48/11/34/600481134.db2.gz DBCCOEHFXHDNGV-AEFFLSMTSA-N -1 3 398.528 3.646 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N(C)Cc1ccccc1 ZINC000390419292 600508101 /nfs/dbraw/zinc/50/81/01/600508101.db2.gz IYDGJUXNOHPILY-CYBMUJFWSA-N -1 3 375.856 3.680 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1Cl ZINC000390511894 600516430 /nfs/dbraw/zinc/51/64/30/600516430.db2.gz ZPJRBZRPGHEJBS-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000737470988 600566195 /nfs/dbraw/zinc/56/61/95/600566195.db2.gz UTROJLDQJYMWMZ-OAQYLSRUSA-N -1 3 395.503 3.753 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1N[C@@H](C(=O)[O-])c1ccccc1F)O[C@H](C)C2 ZINC000830049952 600747577 /nfs/dbraw/zinc/74/75/77/600747577.db2.gz TVKIAOBZJMFBBM-LPIRWUFSSA-N -1 3 385.435 3.819 20 0 GHADHM O=C([O-])[C@H](NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000833165009 600754442 /nfs/dbraw/zinc/75/44/42/600754442.db2.gz FQZQYDFGLWGFLD-CYBMUJFWSA-N -1 3 392.736 3.687 20 0 GHADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000826118165 601095336 /nfs/dbraw/zinc/09/53/36/601095336.db2.gz BSVDJEFHSZTELU-HXUWFJFHSA-N -1 3 395.503 3.835 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000826054735 601206063 /nfs/dbraw/zinc/20/60/63/601206063.db2.gz PUNHLULKZCWLAA-BDJLRTHQSA-N -1 3 381.259 3.984 20 0 GHADHM COc1ccc(NC(=O)[C@H](NCC2(C(=O)[O-])CCCC2)c2ccccc2)cc1 ZINC000832393925 601369114 /nfs/dbraw/zinc/36/91/14/601369114.db2.gz KEZXRCSNERKYDC-LJQANCHMSA-N -1 3 382.460 3.610 20 0 GHADHM CCCCn1ncc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1C ZINC000825301256 607508279 /nfs/dbraw/zinc/50/82/79/607508279.db2.gz KRNXYIRNNTUYLK-UHFFFAOYSA-N -1 3 396.499 3.614 20 0 GHADHM CCCCn1ncc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1C ZINC000825301256 607508280 /nfs/dbraw/zinc/50/82/80/607508280.db2.gz KRNXYIRNNTUYLK-UHFFFAOYSA-N -1 3 396.499 3.614 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823962169 607509638 /nfs/dbraw/zinc/50/96/38/607509638.db2.gz HBDICHSGKYRJHE-UHFFFAOYSA-N -1 3 397.504 3.607 20 0 GHADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)cc1Cl ZINC000833167703 601499340 /nfs/dbraw/zinc/49/93/40/601499340.db2.gz PBIROPSRNCTXIH-ABAIWWIYSA-N -1 3 384.238 3.522 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833030960 601620050 /nfs/dbraw/zinc/62/00/50/601620050.db2.gz BZAVRBKKYQIJHN-LBPRGKRZSA-N -1 3 393.896 3.654 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000833032728 601647426 /nfs/dbraw/zinc/64/74/26/601647426.db2.gz MYBVKDUBGPAPEE-OAHLLOKOSA-N -1 3 377.510 3.572 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000826043990 601652256 /nfs/dbraw/zinc/65/22/56/601652256.db2.gz AJHLYSNPDWYAOF-XUEUYAKLSA-N -1 3 380.488 3.574 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccccc1 ZINC000826045754 601656401 /nfs/dbraw/zinc/65/64/01/601656401.db2.gz YHUMFMGFKZNVKJ-DYESRHJHSA-N -1 3 382.504 3.865 20 0 GHADHM O=C([O-])c1sccc1CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000833141480 601822034 /nfs/dbraw/zinc/82/20/34/601822034.db2.gz VFMONCFGBPKIQG-ZDUSSCGKSA-N -1 3 391.468 3.619 20 0 GHADHM O=C([O-])CCC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000659396630 601827311 /nfs/dbraw/zinc/82/73/11/601827311.db2.gz BKWRAYNLLYRYJW-FQEVSTJZSA-N -1 3 387.524 3.500 20 0 GHADHM COc1ccc(CSCc2noc(-c3ccccc3C)n2)cc1-c1nnn[n-]1 ZINC000826207748 607536006 /nfs/dbraw/zinc/53/60/06/607536006.db2.gz BLTVFYYMIUBALL-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSCc2noc(-c3ccccc3C)n2)cc1-c1nn[n-]n1 ZINC000826207748 607536008 /nfs/dbraw/zinc/53/60/08/607536008.db2.gz BLTVFYYMIUBALL-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM C[C@H](N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827710616 601974491 /nfs/dbraw/zinc/97/44/91/601974491.db2.gz SZEHGEFUFZRXDN-XTZNXHDOSA-N -1 3 393.270 3.989 20 0 GHADHM CN(C)CCN(Cc1ccco1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830609037 602033284 /nfs/dbraw/zinc/03/32/84/602033284.db2.gz QWLZMFJTFMHJKP-UHFFFAOYSA-N -1 3 399.369 3.592 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828176871 602037467 /nfs/dbraw/zinc/03/74/67/602037467.db2.gz LYIXGPYLVASISJ-CJNGLKHVSA-N -1 3 386.427 3.700 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1F ZINC000833135737 602373528 /nfs/dbraw/zinc/37/35/28/602373528.db2.gz ZVENQGJUGYDXJW-HNNXBMFYSA-N -1 3 377.441 3.544 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825158853 607577446 /nfs/dbraw/zinc/57/74/46/607577446.db2.gz CJRLBWSOLZIMOH-QGZVFWFLSA-N -1 3 383.477 3.526 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825158853 607577447 /nfs/dbraw/zinc/57/74/47/607577447.db2.gz CJRLBWSOLZIMOH-QGZVFWFLSA-N -1 3 383.477 3.526 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825158852 607577362 /nfs/dbraw/zinc/57/73/62/607577362.db2.gz CJRLBWSOLZIMOH-KRWDZBQOSA-N -1 3 383.477 3.526 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825158852 607577364 /nfs/dbraw/zinc/57/73/64/607577364.db2.gz CJRLBWSOLZIMOH-KRWDZBQOSA-N -1 3 383.477 3.526 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)cc(Br)c1 ZINC000826278736 607578763 /nfs/dbraw/zinc/57/87/63/607578763.db2.gz QCFFXFRQBDWYMC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)cc(Br)c1 ZINC000826278736 607578765 /nfs/dbraw/zinc/57/87/65/607578765.db2.gz QCFFXFRQBDWYMC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CC[C@H](SC)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825158900 607577938 /nfs/dbraw/zinc/57/79/38/607577938.db2.gz DMNYFYAMLXMRFE-KRWDZBQOSA-N -1 3 383.477 3.526 20 0 GHADHM CC[C@H](SC)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825158900 607577940 /nfs/dbraw/zinc/57/79/40/607577940.db2.gz DMNYFYAMLXMRFE-KRWDZBQOSA-N -1 3 383.477 3.526 20 0 GHADHM COc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)cc1-c1nnn[n-]1 ZINC000826196203 607589326 /nfs/dbraw/zinc/58/93/26/607589326.db2.gz TXAPNUIOSZRLDW-GOSISDBHSA-N -1 3 399.882 3.585 20 0 GHADHM COc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)cc1-c1nn[n-]n1 ZINC000826196203 607589328 /nfs/dbraw/zinc/58/93/28/607589328.db2.gz TXAPNUIOSZRLDW-GOSISDBHSA-N -1 3 399.882 3.585 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352081 602975080 /nfs/dbraw/zinc/97/50/80/602975080.db2.gz BSQKSKOMVOSMIE-LBPRGKRZSA-N -1 3 388.295 3.644 20 0 GHADHM O=C([O-])NC1CCC(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000740559780 603088549 /nfs/dbraw/zinc/08/85/49/603088549.db2.gz KRNWPGNQUGSGJE-KVZIAJEVSA-N -1 3 385.439 3.674 20 0 GHADHM CCN(Cc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccccc1)C(=O)[O-] ZINC000739448318 603355215 /nfs/dbraw/zinc/35/52/15/603355215.db2.gz RURWPOALDNJVIH-LJQANCHMSA-N -1 3 384.480 3.611 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000826250239 607648606 /nfs/dbraw/zinc/64/86/06/607648606.db2.gz QTPRMWGFADUALA-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000826250239 607648607 /nfs/dbraw/zinc/64/86/07/607648607.db2.gz QTPRMWGFADUALA-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3C)s2)cs1 ZINC000826322247 607651987 /nfs/dbraw/zinc/65/19/87/607651987.db2.gz DQAJBMULBLQFGG-UHFFFAOYSA-N -1 3 396.501 3.599 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3C)s2)cs1 ZINC000826322247 607651988 /nfs/dbraw/zinc/65/19/88/607651988.db2.gz DQAJBMULBLQFGG-UHFFFAOYSA-N -1 3 396.501 3.599 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc1NC(=O)[O-] ZINC000830198232 603970796 /nfs/dbraw/zinc/97/07/96/603970796.db2.gz JLRFAJYFIVWBFK-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)cc1 ZINC000825643776 607682402 /nfs/dbraw/zinc/68/24/02/607682402.db2.gz ULCOEAQTLUWYBQ-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)cc1 ZINC000825643776 607682404 /nfs/dbraw/zinc/68/24/04/607682404.db2.gz ULCOEAQTLUWYBQ-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826316060 607684415 /nfs/dbraw/zinc/68/44/15/607684415.db2.gz BTIWKNXQKWSWTP-WDEREUQCSA-N -1 3 391.403 3.580 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826316060 607684417 /nfs/dbraw/zinc/68/44/17/607684417.db2.gz BTIWKNXQKWSWTP-WDEREUQCSA-N -1 3 391.403 3.580 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457558 607687808 /nfs/dbraw/zinc/68/78/08/607687808.db2.gz GPPZRULQGZPFEA-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457558 607687810 /nfs/dbraw/zinc/68/78/10/607687810.db2.gz GPPZRULQGZPFEA-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000826250305 607690161 /nfs/dbraw/zinc/69/01/61/607690161.db2.gz VARRYHMJBDGJJC-UHFFFAOYSA-N -1 3 395.316 3.508 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000826250305 607690162 /nfs/dbraw/zinc/69/01/62/607690162.db2.gz VARRYHMJBDGJJC-UHFFFAOYSA-N -1 3 395.316 3.508 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000833544694 604521183 /nfs/dbraw/zinc/52/11/83/604521183.db2.gz ZEJHNIDDZIIPJM-HNAYVOBHSA-N -1 3 383.444 3.647 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCOc1ccccc1C(C)C ZINC000825620831 607705343 /nfs/dbraw/zinc/70/53/43/607705343.db2.gz JITWMWRQTDOBKO-UHFFFAOYSA-N -1 3 395.463 3.796 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccccc1C(C)C ZINC000825620831 607705346 /nfs/dbraw/zinc/70/53/46/607705346.db2.gz JITWMWRQTDOBKO-UHFFFAOYSA-N -1 3 395.463 3.796 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826316105 607710933 /nfs/dbraw/zinc/71/09/33/607710933.db2.gz CVHHCUJTVWROKU-ZIAGYGMSSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826316105 607710935 /nfs/dbraw/zinc/71/09/35/607710935.db2.gz CVHHCUJTVWROKU-ZIAGYGMSSA-N -1 3 383.477 3.766 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000826185548 607715161 /nfs/dbraw/zinc/71/51/61/607715161.db2.gz MVOLJJXBVYUGHD-UHFFFAOYSA-N -1 3 399.863 3.925 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000826185548 607715162 /nfs/dbraw/zinc/71/51/62/607715162.db2.gz MVOLJJXBVYUGHD-UHFFFAOYSA-N -1 3 399.863 3.925 20 0 GHADHM C[C@]1(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833567956 604818665 /nfs/dbraw/zinc/81/86/65/604818665.db2.gz BMZFVCLLRJZONL-DYVFJYSZSA-N -1 3 383.370 3.879 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410471 604945538 /nfs/dbraw/zinc/94/55/38/604945538.db2.gz XYTMHYLRDMGTPY-STQMWFEESA-N -1 3 397.313 3.599 20 0 GHADHM Cc1sc2nc([C@H](C)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)nc(N)c2c1C ZINC000833758676 605058702 /nfs/dbraw/zinc/05/87/02/605058702.db2.gz LMFGIFAZIUVMAS-WCQYABFASA-N -1 3 376.526 3.774 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000833414408 605177743 /nfs/dbraw/zinc/17/77/43/605177743.db2.gz RJEYKVUSMPSZRD-KRWDZBQOSA-N -1 3 378.831 3.859 20 0 GHADHM CCc1csc([C@H]2CCCN(Cc3cc(C(=O)[O-])cc(C(=O)OC)c3)C2)n1 ZINC000833676234 605203081 /nfs/dbraw/zinc/20/30/81/605203081.db2.gz HIYFGXNNWKQFTF-AWEZNQCLSA-N -1 3 388.489 3.570 20 0 GHADHM CC(C)(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC000833448025 605417803 /nfs/dbraw/zinc/41/78/03/605417803.db2.gz VWAKQGFMMYGLPP-INIZCTEOSA-N -1 3 393.281 3.937 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824915723 607757476 /nfs/dbraw/zinc/75/74/76/607757476.db2.gz HTPJZQKLQSNGHU-BIENJYKASA-N -1 3 376.464 3.866 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824915723 607757477 /nfs/dbraw/zinc/75/74/77/607757477.db2.gz HTPJZQKLQSNGHU-BIENJYKASA-N -1 3 376.464 3.866 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CNC(C)(C)COc1ncccc1Br ZINC000833678878 605550353 /nfs/dbraw/zinc/55/03/53/605550353.db2.gz QRUMCYCSYRRFFB-UHFFFAOYSA-N -1 3 397.269 3.645 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826225741 607763436 /nfs/dbraw/zinc/76/34/36/607763436.db2.gz JRTWNDFMLHYMQJ-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826225741 607763437 /nfs/dbraw/zinc/76/34/37/607763437.db2.gz JRTWNDFMLHYMQJ-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824457435 607769276 /nfs/dbraw/zinc/76/92/76/607769276.db2.gz MHMVIKHEQSBZMR-ZDUSSCGKSA-N -1 3 390.472 3.808 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824457435 607769277 /nfs/dbraw/zinc/76/92/77/607769277.db2.gz MHMVIKHEQSBZMR-ZDUSSCGKSA-N -1 3 390.472 3.808 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000833694180 605841868 /nfs/dbraw/zinc/84/18/68/605841868.db2.gz CPPWBKXROZRFET-UHFFFAOYSA-N -1 3 386.879 3.775 20 0 GHADHM CC(C)(COc1ncccc1Br)NCc1cc(C(=O)[O-])ccc1F ZINC000833461986 605842837 /nfs/dbraw/zinc/84/28/37/605842837.db2.gz OZWPSDLEFRXYLR-UHFFFAOYSA-N -1 3 397.244 3.629 20 0 GHADHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NCCSCC(F)(F)F)c1ccccc1O2 ZINC000834085660 605856518 /nfs/dbraw/zinc/85/65/18/605856518.db2.gz MIZKLOYWDMAKIK-CJNGLKHVSA-N -1 3 390.427 3.518 20 0 GHADHM Cc1noc(C(F)F)c1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000822519427 606054788 /nfs/dbraw/zinc/05/47/88/606054788.db2.gz GUCAHONVHIKYHO-ZCFIWIBFSA-N -1 3 394.407 3.539 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000822217536 606116068 /nfs/dbraw/zinc/11/60/68/606116068.db2.gz HJPLRYKJNNATEU-RDJZCZTQSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000822217536 606116069 /nfs/dbraw/zinc/11/60/69/606116069.db2.gz HJPLRYKJNNATEU-RDJZCZTQSA-N -1 3 376.464 3.660 20 0 GHADHM CSc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821985113 606162046 /nfs/dbraw/zinc/16/20/46/606162046.db2.gz ZNSWRDZPPTVWDF-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CSc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821985113 606162048 /nfs/dbraw/zinc/16/20/48/606162048.db2.gz ZNSWRDZPPTVWDF-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CO[C@@H](C)c1nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000821675141 606171191 /nfs/dbraw/zinc/17/11/91/606171191.db2.gz DUUMNNYEYQKQJY-JTQLQIEISA-N -1 3 388.522 3.597 20 0 GHADHM CO[C@@H](C)c1nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000821675141 606171193 /nfs/dbraw/zinc/17/11/93/606171193.db2.gz DUUMNNYEYQKQJY-JTQLQIEISA-N -1 3 388.522 3.597 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820548877 606179032 /nfs/dbraw/zinc/17/90/32/606179032.db2.gz HDFDWPOSCUMNMI-KBPBESRZSA-N -1 3 399.495 3.847 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820548877 606179034 /nfs/dbraw/zinc/17/90/34/606179034.db2.gz HDFDWPOSCUMNMI-KBPBESRZSA-N -1 3 399.495 3.847 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(C(F)(F)F)c1F ZINC000823387539 606183840 /nfs/dbraw/zinc/18/38/40/606183840.db2.gz OFSNINIPORMEAC-UHFFFAOYSA-N -1 3 397.357 3.827 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(C(F)(F)F)c1F ZINC000823387539 606183842 /nfs/dbraw/zinc/18/38/42/606183842.db2.gz OFSNINIPORMEAC-UHFFFAOYSA-N -1 3 397.357 3.827 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357106 606193784 /nfs/dbraw/zinc/19/37/84/606193784.db2.gz DUTQMHLCZMZOMF-WTOJCKNJSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357106 606193785 /nfs/dbraw/zinc/19/37/85/606193785.db2.gz DUTQMHLCZMZOMF-WTOJCKNJSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820570411 606222811 /nfs/dbraw/zinc/22/28/11/606222811.db2.gz JISJSXSHXLLFOV-AWEZNQCLSA-N -1 3 392.488 3.670 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820570411 606222813 /nfs/dbraw/zinc/22/28/13/606222813.db2.gz JISJSXSHXLLFOV-AWEZNQCLSA-N -1 3 392.488 3.670 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822206029 606223203 /nfs/dbraw/zinc/22/32/03/606223203.db2.gz RKDCPXGTQHTUAV-RBUKOAKNSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822206029 606223204 /nfs/dbraw/zinc/22/32/04/606223204.db2.gz RKDCPXGTQHTUAV-RBUKOAKNSA-N -1 3 391.450 3.894 20 0 GHADHM CC(C)C[C@@H](C)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc2[nH]ccc2c1 ZINC000820057068 606241369 /nfs/dbraw/zinc/24/13/69/606241369.db2.gz WBAQVHKKSMPIBU-CQSZACIVSA-N -1 3 391.479 3.768 20 0 GHADHM CC(C)C[C@@H](C)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc2[nH]ccc2c1 ZINC000820057068 606241371 /nfs/dbraw/zinc/24/13/71/606241371.db2.gz WBAQVHKKSMPIBU-CQSZACIVSA-N -1 3 391.479 3.768 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000822255076 606247215 /nfs/dbraw/zinc/24/72/15/606247215.db2.gz UZSQVSVBEKEHPL-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000822255076 606247217 /nfs/dbraw/zinc/24/72/17/606247217.db2.gz UZSQVSVBEKEHPL-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM CC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820919958 606249552 /nfs/dbraw/zinc/24/95/52/606249552.db2.gz IDOXZAYVDUXKKB-INIZCTEOSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820919958 606249555 /nfs/dbraw/zinc/24/95/55/606249555.db2.gz IDOXZAYVDUXKKB-INIZCTEOSA-N -1 3 390.472 3.871 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1coc2cc(F)ccc12 ZINC000821104842 606254210 /nfs/dbraw/zinc/25/42/10/606254210.db2.gz SQGMQRYLTOFNCO-UHFFFAOYSA-N -1 3 393.422 3.733 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1coc2cc(F)ccc12 ZINC000821104842 606254211 /nfs/dbraw/zinc/25/42/11/606254211.db2.gz SQGMQRYLTOFNCO-UHFFFAOYSA-N -1 3 393.422 3.733 20 0 GHADHM O=C(Nc1cccc(Cl)n1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823363966 606259880 /nfs/dbraw/zinc/25/98/80/606259880.db2.gz TYJUSZBMFYUCAZ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821969628 606268523 /nfs/dbraw/zinc/26/85/23/606268523.db2.gz BUAFUXFLEDRATL-UHFFFAOYSA-N -1 3 383.408 3.867 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821969628 606268524 /nfs/dbraw/zinc/26/85/24/606268524.db2.gz BUAFUXFLEDRATL-UHFFFAOYSA-N -1 3 383.408 3.867 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c(C)c2)c1 ZINC000822303461 606271925 /nfs/dbraw/zinc/27/19/25/606271925.db2.gz BGQPJSZECACUSM-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c(C)c2)c1 ZINC000822303461 606271926 /nfs/dbraw/zinc/27/19/26/606271926.db2.gz BGQPJSZECACUSM-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1cc(Cl)ccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822202418 606309734 /nfs/dbraw/zinc/30/97/34/606309734.db2.gz YXVLYQPBPHROLK-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cc(Cl)ccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822202418 606309736 /nfs/dbraw/zinc/30/97/36/606309736.db2.gz YXVLYQPBPHROLK-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@H](S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccc(F)cc1 ZINC000820550146 606310140 /nfs/dbraw/zinc/31/01/40/606310140.db2.gz VAVKZZBAVHFCJG-HZMBPMFUSA-N -1 3 389.481 3.667 20 0 GHADHM C[C@H](S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccc(F)cc1 ZINC000820550146 606310141 /nfs/dbraw/zinc/31/01/41/606310141.db2.gz VAVKZZBAVHFCJG-HZMBPMFUSA-N -1 3 389.481 3.667 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512781 606347536 /nfs/dbraw/zinc/34/75/36/606347536.db2.gz ONOHQRFRRUZEOF-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512781 606347539 /nfs/dbraw/zinc/34/75/39/606347539.db2.gz ONOHQRFRRUZEOF-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)CSc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496498 606349645 /nfs/dbraw/zinc/34/96/45/606349645.db2.gz MGJPNYJYKYWWHG-NSHDSACASA-N -1 3 397.485 3.873 20 0 GHADHM C[C@H](OC(=O)CSc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496498 606349647 /nfs/dbraw/zinc/34/96/47/606349647.db2.gz MGJPNYJYKYWWHG-NSHDSACASA-N -1 3 397.485 3.873 20 0 GHADHM C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508620 606351128 /nfs/dbraw/zinc/35/11/28/606351128.db2.gz TXDUKMLBVHDPDM-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508620 606351129 /nfs/dbraw/zinc/35/11/29/606351129.db2.gz TXDUKMLBVHDPDM-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891228 606351851 /nfs/dbraw/zinc/35/18/51/606351851.db2.gz XPQLTBCFBKLQLN-HUUCEWRRSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821891228 606351853 /nfs/dbraw/zinc/35/18/53/606351853.db2.gz XPQLTBCFBKLQLN-HUUCEWRRSA-N -1 3 380.448 3.748 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820742432 606356930 /nfs/dbraw/zinc/35/69/30/606356930.db2.gz JUOOKMSVTSOBNW-CZUORRHYSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820742432 606356932 /nfs/dbraw/zinc/35/69/32/606356932.db2.gz JUOOKMSVTSOBNW-CZUORRHYSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488104 606357352 /nfs/dbraw/zinc/35/73/52/606357352.db2.gz LANAGASUAQQZSC-VMPCVLLUSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488104 606357354 /nfs/dbraw/zinc/35/73/54/606357354.db2.gz LANAGASUAQQZSC-VMPCVLLUSA-N -1 3 383.477 3.938 20 0 GHADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000822168179 606413303 /nfs/dbraw/zinc/41/33/03/606413303.db2.gz MFBYVDOVMBPBAM-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000822168179 606413305 /nfs/dbraw/zinc/41/33/05/606413305.db2.gz MFBYVDOVMBPBAM-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569815 606413769 /nfs/dbraw/zinc/41/37/69/606413769.db2.gz WXAMSKZMCMWWHP-UWVGGRQHSA-N -1 3 387.793 3.852 20 0 GHADHM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569815 606413773 /nfs/dbraw/zinc/41/37/73/606413773.db2.gz WXAMSKZMCMWWHP-UWVGGRQHSA-N -1 3 387.793 3.852 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823308507 606439036 /nfs/dbraw/zinc/43/90/36/606439036.db2.gz CFQRCYBZMGKMQA-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823308507 606439038 /nfs/dbraw/zinc/43/90/38/606439038.db2.gz CFQRCYBZMGKMQA-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820333610 606444383 /nfs/dbraw/zinc/44/43/83/606444383.db2.gz DWUYGPMMYCJNCZ-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820333610 606444384 /nfs/dbraw/zinc/44/43/84/606444384.db2.gz DWUYGPMMYCJNCZ-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM O=C(Nc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823372452 606447798 /nfs/dbraw/zinc/44/77/98/606447798.db2.gz DSJUTOMCGXXYKV-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823372452 606447800 /nfs/dbraw/zinc/44/78/00/606447800.db2.gz DSJUTOMCGXXYKV-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822941105 606459513 /nfs/dbraw/zinc/45/95/13/606459513.db2.gz PWZPLXGCFYJVON-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822941105 606459514 /nfs/dbraw/zinc/45/95/14/606459514.db2.gz PWZPLXGCFYJVON-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000819950349 606469425 /nfs/dbraw/zinc/46/94/25/606469425.db2.gz JJWGCPKJJXXYKN-UHFFFAOYSA-N -1 3 382.493 3.991 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000819950349 606469428 /nfs/dbraw/zinc/46/94/28/606469428.db2.gz JJWGCPKJJXXYKN-UHFFFAOYSA-N -1 3 382.493 3.991 20 0 GHADHM C[C@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820455091 606471863 /nfs/dbraw/zinc/47/18/63/606471863.db2.gz COYLRNOYKMADCF-AWEZNQCLSA-N -1 3 394.479 3.621 20 0 GHADHM C[C@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820455091 606471865 /nfs/dbraw/zinc/47/18/65/606471865.db2.gz COYLRNOYKMADCF-AWEZNQCLSA-N -1 3 394.479 3.621 20 0 GHADHM CCCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OCCC ZINC000821133679 606477901 /nfs/dbraw/zinc/47/79/01/606477901.db2.gz DNNIVXLXSHISEI-UHFFFAOYSA-N -1 3 387.465 3.758 20 0 GHADHM CCCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OCCC ZINC000821133679 606477903 /nfs/dbraw/zinc/47/79/03/606477903.db2.gz DNNIVXLXSHISEI-UHFFFAOYSA-N -1 3 387.465 3.758 20 0 GHADHM Cc1cc(Br)cc(C)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822161380 606495015 /nfs/dbraw/zinc/49/50/15/606495015.db2.gz OSCKDBXOJJNNCQ-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1cc(Br)cc(C)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822161380 606495016 /nfs/dbraw/zinc/49/50/16/606495016.db2.gz OSCKDBXOJJNNCQ-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350449 606495841 /nfs/dbraw/zinc/49/58/41/606495841.db2.gz NKWZGVZIJKNOJR-UHFFFAOYSA-N -1 3 388.884 3.824 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350449 606495843 /nfs/dbraw/zinc/49/58/43/606495843.db2.gz NKWZGVZIJKNOJR-UHFFFAOYSA-N -1 3 388.884 3.824 20 0 GHADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000821082782 606515474 /nfs/dbraw/zinc/51/54/74/606515474.db2.gz NZVQTMHKTITAEK-HZPDHXFCSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000821082782 606515476 /nfs/dbraw/zinc/51/54/76/606515476.db2.gz NZVQTMHKTITAEK-HZPDHXFCSA-N -1 3 389.525 3.518 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822945412 606523684 /nfs/dbraw/zinc/52/36/84/606523684.db2.gz DOJFDYLSBUEVHI-DUXPYHPUSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822945412 606523686 /nfs/dbraw/zinc/52/36/86/606523686.db2.gz DOJFDYLSBUEVHI-DUXPYHPUSA-N -1 3 377.423 3.600 20 0 GHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820819173 606547046 /nfs/dbraw/zinc/54/70/46/606547046.db2.gz GDOAIYCWHOHSEO-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820819173 606547047 /nfs/dbraw/zinc/54/70/47/606547047.db2.gz GDOAIYCWHOHSEO-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM CC(C)[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820015671 606551785 /nfs/dbraw/zinc/55/17/85/606551785.db2.gz FEHJXZMGHXRSCM-KRWDZBQOSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820015671 606551787 /nfs/dbraw/zinc/55/17/87/606551787.db2.gz FEHJXZMGHXRSCM-KRWDZBQOSA-N -1 3 387.846 3.715 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820307162 606552201 /nfs/dbraw/zinc/55/22/01/606552201.db2.gz JPUVPEHPLFVJLK-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820307162 606552202 /nfs/dbraw/zinc/55/22/02/606552202.db2.gz JPUVPEHPLFVJLK-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(OCc1csc(-c2ccccc2F)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440150 606566531 /nfs/dbraw/zinc/56/65/31/606566531.db2.gz FMIMVHJLFUAAAN-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(OCc1csc(-c2ccccc2F)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440150 606566532 /nfs/dbraw/zinc/56/65/32/606566532.db2.gz FMIMVHJLFUAAAN-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820379370 606575310 /nfs/dbraw/zinc/57/53/10/606575310.db2.gz BOTCKIXXHFLNPL-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820379370 606575312 /nfs/dbraw/zinc/57/53/12/606575312.db2.gz BOTCKIXXHFLNPL-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@@H]1C ZINC000820717977 606577555 /nfs/dbraw/zinc/57/75/55/606577555.db2.gz ZLPFVLVCZGJDAN-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000820717977 606577557 /nfs/dbraw/zinc/57/75/57/606577557.db2.gz ZLPFVLVCZGJDAN-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819897797 606583250 /nfs/dbraw/zinc/58/32/50/606583250.db2.gz ADOWXVBUJZBVIU-UHFFFAOYSA-N -1 3 395.488 3.826 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819897797 606583252 /nfs/dbraw/zinc/58/32/52/606583252.db2.gz ADOWXVBUJZBVIU-UHFFFAOYSA-N -1 3 395.488 3.826 20 0 GHADHM Cc1ccc(/C=C/CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000822233191 606621309 /nfs/dbraw/zinc/62/13/09/606621309.db2.gz JWJTUNKEJOWVIM-NSCUHMNNSA-N -1 3 385.374 3.819 20 0 GHADHM Cc1ccc(/C=C/CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000822233191 606621311 /nfs/dbraw/zinc/62/13/11/606621311.db2.gz JWJTUNKEJOWVIM-NSCUHMNNSA-N -1 3 385.374 3.819 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000820549500 606628601 /nfs/dbraw/zinc/62/86/01/606628601.db2.gz NWNIOZKLYYUKBR-MJVIPROJSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000820549500 606628602 /nfs/dbraw/zinc/62/86/02/606628602.db2.gz NWNIOZKLYYUKBR-MJVIPROJSA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)c1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000820202814 606656067 /nfs/dbraw/zinc/65/60/67/606656067.db2.gz LZNKICSSHSGNSL-UHFFFAOYSA-N -1 3 377.408 3.778 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc(CCc2ccccc2)n1 ZINC000821765752 606656415 /nfs/dbraw/zinc/65/64/15/606656415.db2.gz JLJNZYRLIRLWBI-UHFFFAOYSA-N -1 3 392.488 3.729 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(CCc2ccccc2)n1 ZINC000821765752 606656416 /nfs/dbraw/zinc/65/64/16/606656416.db2.gz JLJNZYRLIRLWBI-UHFFFAOYSA-N -1 3 392.488 3.729 20 0 GHADHM O=C(CCCc1ccc(F)c(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822958903 606667160 /nfs/dbraw/zinc/66/71/60/606667160.db2.gz MMWLRYCUNWAORH-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(CCCc1ccc(F)c(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822958903 606667161 /nfs/dbraw/zinc/66/71/61/606667161.db2.gz MMWLRYCUNWAORH-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)CCCO1 ZINC000820577096 606672573 /nfs/dbraw/zinc/67/25/73/606672573.db2.gz JUDWQNMWVPELNX-LJQANCHMSA-N -1 3 399.838 3.820 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)CCCO1 ZINC000820577096 606672574 /nfs/dbraw/zinc/67/25/74/606672574.db2.gz JUDWQNMWVPELNX-LJQANCHMSA-N -1 3 399.838 3.820 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCCC[C@H]1c1ccccc1 ZINC000823454033 606673190 /nfs/dbraw/zinc/67/31/90/606673190.db2.gz JIYDOBGBEKBAMF-KRWDZBQOSA-N -1 3 383.402 3.902 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCC[C@H]1c1ccccc1 ZINC000823454033 606673191 /nfs/dbraw/zinc/67/31/91/606673191.db2.gz JIYDOBGBEKBAMF-KRWDZBQOSA-N -1 3 383.402 3.902 20 0 GHADHM Cc1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1C ZINC000822236342 606681990 /nfs/dbraw/zinc/68/19/90/606681990.db2.gz UXIUPAXBUXVBQB-UHFFFAOYSA-N -1 3 383.402 3.567 20 0 GHADHM Cc1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1C ZINC000822236342 606681991 /nfs/dbraw/zinc/68/19/91/606681991.db2.gz UXIUPAXBUXVBQB-UHFFFAOYSA-N -1 3 383.402 3.567 20 0 GHADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820633436 606695731 /nfs/dbraw/zinc/69/57/31/606695731.db2.gz BJSVUJQHWHJSOX-LJQANCHMSA-N -1 3 382.855 3.716 20 0 GHADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820633436 606695732 /nfs/dbraw/zinc/69/57/32/606695732.db2.gz BJSVUJQHWHJSOX-LJQANCHMSA-N -1 3 382.855 3.716 20 0 GHADHM CC(C)COc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820102780 606698384 /nfs/dbraw/zinc/69/83/84/606698384.db2.gz KHNJJARGBDLAON-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)COc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820102780 606698385 /nfs/dbraw/zinc/69/83/85/606698385.db2.gz KHNJJARGBDLAON-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM O=C(OCCCc1ccc(Cl)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823405162 606757966 /nfs/dbraw/zinc/75/79/66/606757966.db2.gz JUKNWGVIEBKVBI-UHFFFAOYSA-N -1 3 378.766 3.588 20 0 GHADHM O=C(OCCCc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823405162 606757967 /nfs/dbraw/zinc/75/79/67/606757967.db2.gz JUKNWGVIEBKVBI-UHFFFAOYSA-N -1 3 378.766 3.588 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820971741 606790401 /nfs/dbraw/zinc/79/04/01/606790401.db2.gz FJTUVUBBWJHPQP-CRAIPNDOSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820971741 606790403 /nfs/dbraw/zinc/79/04/03/606790403.db2.gz FJTUVUBBWJHPQP-CRAIPNDOSA-N -1 3 379.420 3.555 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)Nc2cccnc2C)cc1 ZINC000822143404 606796714 /nfs/dbraw/zinc/79/67/14/606796714.db2.gz CJKJBWHDNSAFKX-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2cccnc2C)cc1 ZINC000822143404 606796716 /nfs/dbraw/zinc/79/67/16/606796716.db2.gz CJKJBWHDNSAFKX-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000821465216 606810667 /nfs/dbraw/zinc/81/06/67/606810667.db2.gz DVTZUQAYOAMDJD-UHFFFAOYSA-N -1 3 384.396 3.537 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)s1 ZINC000821465216 606810669 /nfs/dbraw/zinc/81/06/69/606810669.db2.gz DVTZUQAYOAMDJD-UHFFFAOYSA-N -1 3 384.396 3.537 20 0 GHADHM Cc1nc(C)c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000822432145 606836707 /nfs/dbraw/zinc/83/67/07/606836707.db2.gz YSGBBVNFXWOLAA-UHFFFAOYSA-N -1 3 385.497 3.630 20 0 GHADHM Cc1nc(C)c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000822432145 606836709 /nfs/dbraw/zinc/83/67/09/606836709.db2.gz YSGBBVNFXWOLAA-UHFFFAOYSA-N -1 3 385.497 3.630 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 ZINC000822143865 606840718 /nfs/dbraw/zinc/84/07/18/606840718.db2.gz HSFUROOUASLMOR-RHSMWYFYSA-N -1 3 394.431 3.549 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 ZINC000822143865 606840719 /nfs/dbraw/zinc/84/07/19/606840719.db2.gz HSFUROOUASLMOR-RHSMWYFYSA-N -1 3 394.431 3.549 20 0 GHADHM Cc1ccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822248836 606843140 /nfs/dbraw/zinc/84/31/40/606843140.db2.gz PQHMQDXQQWISDP-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1ccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822248836 606843142 /nfs/dbraw/zinc/84/31/42/606843142.db2.gz PQHMQDXQQWISDP-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM C[C@@H]1CC[C@H](C)N1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820683801 606869061 /nfs/dbraw/zinc/86/90/61/606869061.db2.gz HJNMMDNBRRAXCW-BETUJISGSA-N -1 3 382.493 3.678 20 0 GHADHM CCN(C(=O)COC/C=C\c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154728 606871677 /nfs/dbraw/zinc/87/16/77/606871677.db2.gz QULVWJAEAVPMLW-CGQZWFTASA-N -1 3 391.475 3.506 20 0 GHADHM CCN(C(=O)COC/C=C\c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154728 606871679 /nfs/dbraw/zinc/87/16/79/606871679.db2.gz QULVWJAEAVPMLW-CGQZWFTASA-N -1 3 391.475 3.506 20 0 GHADHM O=C(OCc1cccc2cccnc21)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823430906 606901747 /nfs/dbraw/zinc/90/17/47/606901747.db2.gz LKWNZWWUCCRFRB-UHFFFAOYSA-N -1 3 399.332 3.791 20 0 GHADHM O=C(OCc1cccc2cccnc21)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823430906 606901748 /nfs/dbraw/zinc/90/17/48/606901748.db2.gz LKWNZWWUCCRFRB-UHFFFAOYSA-N -1 3 399.332 3.791 20 0 GHADHM CC(C)c1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000820192542 606914339 /nfs/dbraw/zinc/91/43/39/606914339.db2.gz SPOSPDARLHODKW-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM CC(C)c1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000820192542 606914340 /nfs/dbraw/zinc/91/43/40/606914340.db2.gz SPOSPDARLHODKW-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM CCc1nnc(Sc2ncc(-c3ccc(F)cc3)o2)c(-c2nnn[n-]2)c1CC ZINC000821548597 606919493 /nfs/dbraw/zinc/91/94/93/606919493.db2.gz PLNQARITVXFVJE-UHFFFAOYSA-N -1 3 397.439 3.727 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821766399 606926128 /nfs/dbraw/zinc/92/61/28/606926128.db2.gz VPDMLTFJXAHFFZ-ZDUSSCGKSA-N -1 3 391.435 3.715 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821766399 606926129 /nfs/dbraw/zinc/92/61/29/606926129.db2.gz VPDMLTFJXAHFFZ-ZDUSSCGKSA-N -1 3 391.435 3.715 20 0 GHADHM Cc1noc(C2CCC(Nc3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CC2)n1 ZINC000822527883 606943728 /nfs/dbraw/zinc/94/37/28/606943728.db2.gz IGSMUCIRDQULPV-UHFFFAOYSA-N -1 3 393.373 3.715 20 0 GHADHM Cc1noc(C2CCC(Nc3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CC2)n1 ZINC000822527883 606943729 /nfs/dbraw/zinc/94/37/29/606943729.db2.gz IGSMUCIRDQULPV-UHFFFAOYSA-N -1 3 393.373 3.715 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(O[C@@H]2CCOC2)c1 ZINC000822238629 606947833 /nfs/dbraw/zinc/94/78/33/606947833.db2.gz OXEMORDDULEJEJ-OAHLLOKOSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(O[C@@H]2CCOC2)c1 ZINC000822238629 606947835 /nfs/dbraw/zinc/94/78/35/606947835.db2.gz OXEMORDDULEJEJ-OAHLLOKOSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](c4ccsc4)C3)c2c1 ZINC000822194971 606948939 /nfs/dbraw/zinc/94/89/39/606948939.db2.gz BSGJTTKLFVVJBS-QGZVFWFLSA-N -1 3 392.488 3.671 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](c4ccsc4)C3)c2c1 ZINC000822194971 606948944 /nfs/dbraw/zinc/94/89/44/606948944.db2.gz BSGJTTKLFVVJBS-QGZVFWFLSA-N -1 3 392.488 3.671 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820950297 606950438 /nfs/dbraw/zinc/95/04/38/606950438.db2.gz LXXARUPDEULZSF-IBGZPJMESA-N -1 3 397.508 3.568 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820950297 606950439 /nfs/dbraw/zinc/95/04/39/606950439.db2.gz LXXARUPDEULZSF-IBGZPJMESA-N -1 3 397.508 3.568 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820949713 606953348 /nfs/dbraw/zinc/95/33/48/606953348.db2.gz DSHPGEAVGAXXFU-FQEVSTJZSA-N -1 3 393.451 3.708 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820949713 606953349 /nfs/dbraw/zinc/95/33/49/606953349.db2.gz DSHPGEAVGAXXFU-FQEVSTJZSA-N -1 3 393.451 3.708 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccn(C4CCCC4)n3)c2-c2nnn[n-]2)C1 ZINC000820733499 606955256 /nfs/dbraw/zinc/95/52/56/606955256.db2.gz GQNXYKMSNHLAJZ-LLVKDONJSA-N -1 3 397.508 3.617 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccn(C4CCCC4)n3)c2-c2nn[n-]n2)C1 ZINC000820733499 606955258 /nfs/dbraw/zinc/95/52/58/606955258.db2.gz GQNXYKMSNHLAJZ-LLVKDONJSA-N -1 3 397.508 3.617 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C(C)(C)C)C3)O1 ZINC000820678594 606957285 /nfs/dbraw/zinc/95/72/85/606957285.db2.gz WCRATMPPZINNHN-NTZNESFSSA-N -1 3 389.525 3.585 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C(C)(C)C)C3)O1 ZINC000820678594 606957287 /nfs/dbraw/zinc/95/72/87/606957287.db2.gz WCRATMPPZINNHN-NTZNESFSSA-N -1 3 389.525 3.585 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569565 606961018 /nfs/dbraw/zinc/96/10/18/606961018.db2.gz OJJSDUCZTNLRHG-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569565 606961020 /nfs/dbraw/zinc/96/10/20/606961020.db2.gz OJJSDUCZTNLRHG-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569469 606962570 /nfs/dbraw/zinc/96/25/70/606962570.db2.gz LBWVICCTSIBDKO-STQMWFEESA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569469 606962572 /nfs/dbraw/zinc/96/25/72/606962572.db2.gz LBWVICCTSIBDKO-STQMWFEESA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)c1ccccc1OCC1CC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574557 606963771 /nfs/dbraw/zinc/96/37/71/606963771.db2.gz LVOSSXTYZNFJDP-UHFFFAOYSA-N -1 3 383.839 3.586 20 0 GHADHM CN(C(=O)c1ccccc1OCC1CC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574557 606963772 /nfs/dbraw/zinc/96/37/72/606963772.db2.gz LVOSSXTYZNFJDP-UHFFFAOYSA-N -1 3 383.839 3.586 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000819899047 606965213 /nfs/dbraw/zinc/96/52/13/606965213.db2.gz MPONYBHWICLELN-CQSZACIVSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000819899047 606965215 /nfs/dbraw/zinc/96/52/15/606965215.db2.gz MPONYBHWICLELN-CQSZACIVSA-N -1 3 377.420 3.724 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822228946 606989317 /nfs/dbraw/zinc/98/93/17/606989317.db2.gz JFPDWAJQGYIUFT-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822228946 606989319 /nfs/dbraw/zinc/98/93/19/606989319.db2.gz JFPDWAJQGYIUFT-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822959271 606990784 /nfs/dbraw/zinc/99/07/84/606990784.db2.gz WBUHCRDLGWGIFK-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822959271 606990785 /nfs/dbraw/zinc/99/07/85/606990785.db2.gz WBUHCRDLGWGIFK-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM CC(C)(CCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819997455 607001107 /nfs/dbraw/zinc/00/11/07/607001107.db2.gz VZVZAEUKIUDIMP-UHFFFAOYSA-N -1 3 393.491 3.508 20 0 GHADHM CC(C)(CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819997455 607001109 /nfs/dbraw/zinc/00/11/09/607001109.db2.gz VZVZAEUKIUDIMP-UHFFFAOYSA-N -1 3 393.491 3.508 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823422557 607002488 /nfs/dbraw/zinc/00/24/88/607002488.db2.gz WJFXNYPZCFBRDI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823422557 607002489 /nfs/dbraw/zinc/00/24/89/607002489.db2.gz WJFXNYPZCFBRDI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000823070861 607010875 /nfs/dbraw/zinc/01/08/75/607010875.db2.gz SAQRXIODRNUGNO-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000823070861 607010877 /nfs/dbraw/zinc/01/08/77/607010877.db2.gz SAQRXIODRNUGNO-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)c1ccccc1 ZINC000823070704 607014297 /nfs/dbraw/zinc/01/42/97/607014297.db2.gz KIRNJMBZJCSMEO-UHFFFAOYSA-N -1 3 391.456 3.785 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)c1ccccc1 ZINC000823070704 607014299 /nfs/dbraw/zinc/01/42/99/607014299.db2.gz KIRNJMBZJCSMEO-UHFFFAOYSA-N -1 3 391.456 3.785 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000823070669 607014634 /nfs/dbraw/zinc/01/46/34/607014634.db2.gz JOXDQIQMDBPYGZ-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000823070669 607014635 /nfs/dbraw/zinc/01/46/35/607014635.db2.gz JOXDQIQMDBPYGZ-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820220347 607018336 /nfs/dbraw/zinc/01/83/36/607018336.db2.gz RMWUQBWYBJHSDV-OAHLLOKOSA-N -1 3 388.431 3.582 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820220347 607018338 /nfs/dbraw/zinc/01/83/38/607018338.db2.gz RMWUQBWYBJHSDV-OAHLLOKOSA-N -1 3 388.431 3.582 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823472808 607021233 /nfs/dbraw/zinc/02/12/33/607021233.db2.gz ZNZBBLAULLLSOB-UHFFFAOYSA-N -1 3 397.407 3.700 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823472808 607021235 /nfs/dbraw/zinc/02/12/35/607021235.db2.gz ZNZBBLAULLLSOB-UHFFFAOYSA-N -1 3 397.407 3.700 20 0 GHADHM Cc1cn(CC(=O)c2cc(C)n(CCc3cccs3)c2C)cc1-c1nnn[n-]1 ZINC000822383576 607021678 /nfs/dbraw/zinc/02/16/78/607021678.db2.gz AGADLSONHXCRPX-UHFFFAOYSA-N -1 3 394.504 3.582 20 0 GHADHM Cc1cn(CC(=O)c2cc(C)n(CCc3cccs3)c2C)cc1-c1nn[n-]n1 ZINC000822383576 607021679 /nfs/dbraw/zinc/02/16/79/607021679.db2.gz AGADLSONHXCRPX-UHFFFAOYSA-N -1 3 394.504 3.582 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822289098 607037135 /nfs/dbraw/zinc/03/71/35/607037135.db2.gz RJXYZYGRAWJIOP-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822289098 607037136 /nfs/dbraw/zinc/03/71/36/607037136.db2.gz RJXYZYGRAWJIOP-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM COc1cc(OC)c([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821724787 607059554 /nfs/dbraw/zinc/05/95/54/607059554.db2.gz YCGXZZVTRDLEPY-SNVBAGLBSA-N -1 3 391.834 3.527 20 0 GHADHM COc1cc(OC)c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821724787 607059556 /nfs/dbraw/zinc/05/95/56/607059556.db2.gz YCGXZZVTRDLEPY-SNVBAGLBSA-N -1 3 391.834 3.527 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820915767 607097072 /nfs/dbraw/zinc/09/70/72/607097072.db2.gz XIDPNDRGIZDMOE-OXJNMPFZSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820915767 607097073 /nfs/dbraw/zinc/09/70/73/607097073.db2.gz XIDPNDRGIZDMOE-OXJNMPFZSA-N -1 3 392.507 3.981 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000821308475 607099986 /nfs/dbraw/zinc/09/99/86/607099986.db2.gz AXEZBPJQUPBIPB-UHFFFAOYSA-N -1 3 391.460 3.674 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1oc2c(cccc2C)c1C ZINC000821308509 607101095 /nfs/dbraw/zinc/10/10/95/607101095.db2.gz CBXSQZYVGVIWIN-UHFFFAOYSA-N -1 3 376.420 3.914 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397269 607156153 /nfs/dbraw/zinc/15/61/53/607156153.db2.gz NIOFTDMLGKFSBO-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397269 607156154 /nfs/dbraw/zinc/15/61/54/607156154.db2.gz NIOFTDMLGKFSBO-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM COCCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCC1 ZINC000821686224 607157317 /nfs/dbraw/zinc/15/73/17/607157317.db2.gz GFUUXMCTGACKAD-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM COCCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCC1 ZINC000821686224 607157319 /nfs/dbraw/zinc/15/73/19/607157319.db2.gz GFUUXMCTGACKAD-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1F ZINC000820508882 607158038 /nfs/dbraw/zinc/15/80/38/607158038.db2.gz ZRKAHZBWZLOFSF-SSDOTTSWSA-N -1 3 397.229 3.748 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1F ZINC000820508882 607158041 /nfs/dbraw/zinc/15/80/41/607158041.db2.gz ZRKAHZBWZLOFSF-SSDOTTSWSA-N -1 3 397.229 3.748 20 0 GHADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821877148 607173007 /nfs/dbraw/zinc/17/30/07/607173007.db2.gz CRCSYUQJLJIXQM-AWEZNQCLSA-N -1 3 391.353 3.830 20 0 GHADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821877148 607173008 /nfs/dbraw/zinc/17/30/08/607173008.db2.gz CRCSYUQJLJIXQM-AWEZNQCLSA-N -1 3 391.353 3.830 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)cc1 ZINC000823319008 607189444 /nfs/dbraw/zinc/18/94/44/607189444.db2.gz OMIGUNCBAGHPMC-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)cc1 ZINC000823319008 607189445 /nfs/dbraw/zinc/18/94/45/607189445.db2.gz OMIGUNCBAGHPMC-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821845942 607190205 /nfs/dbraw/zinc/19/02/05/607190205.db2.gz MEVIOVLMSJOHAV-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821845942 607190206 /nfs/dbraw/zinc/19/02/06/607190206.db2.gz MEVIOVLMSJOHAV-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1csc(Br)c1 ZINC000823319623 607190455 /nfs/dbraw/zinc/19/04/55/607190455.db2.gz WFDUWLUOFWSRCQ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1csc(Br)c1 ZINC000823319623 607190456 /nfs/dbraw/zinc/19/04/56/607190456.db2.gz WFDUWLUOFWSRCQ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040513 607191128 /nfs/dbraw/zinc/19/11/28/607191128.db2.gz MIPZTJXRXHUHLU-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040513 607191129 /nfs/dbraw/zinc/19/11/29/607191129.db2.gz MIPZTJXRXHUHLU-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823032388 607191145 /nfs/dbraw/zinc/19/11/45/607191145.db2.gz RTKDLHWCJWVFNR-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823032388 607191146 /nfs/dbraw/zinc/19/11/46/607191146.db2.gz RTKDLHWCJWVFNR-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000820541079 607191711 /nfs/dbraw/zinc/19/17/11/607191711.db2.gz BFMNJNYSTGSIRX-SECBINFHSA-N -1 3 393.781 3.864 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000820541079 607191712 /nfs/dbraw/zinc/19/17/12/607191712.db2.gz BFMNJNYSTGSIRX-SECBINFHSA-N -1 3 393.781 3.864 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Cc1cccs1 ZINC000820270106 607197858 /nfs/dbraw/zinc/19/78/58/607197858.db2.gz VIXFNRQYZPLJAF-JTQLQIEISA-N -1 3 376.873 3.582 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Cc1cccs1 ZINC000820270106 607197859 /nfs/dbraw/zinc/19/78/59/607197859.db2.gz VIXFNRQYZPLJAF-JTQLQIEISA-N -1 3 376.873 3.582 20 0 GHADHM CCOCCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000821373756 607198059 /nfs/dbraw/zinc/19/80/59/607198059.db2.gz LYHYYMUSJGZMIN-UHFFFAOYSA-N -1 3 392.891 3.629 20 0 GHADHM CCOCCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000821373756 607198060 /nfs/dbraw/zinc/19/80/60/607198060.db2.gz LYHYYMUSJGZMIN-UHFFFAOYSA-N -1 3 392.891 3.629 20 0 GHADHM CSc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821977681 607198567 /nfs/dbraw/zinc/19/85/67/607198567.db2.gz JBIIBFVONGQULA-UHFFFAOYSA-N -1 3 388.884 3.872 20 0 GHADHM CSc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821977681 607198568 /nfs/dbraw/zinc/19/85/68/607198568.db2.gz JBIIBFVONGQULA-UHFFFAOYSA-N -1 3 388.884 3.872 20 0 GHADHM Cc1nc(-c2ccc(CCNc3nc(C)ccc3-c3nnn[n-]3)cc2)cs1 ZINC000822215353 607226748 /nfs/dbraw/zinc/22/67/48/607226748.db2.gz XGFSYVKZAOINQX-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM Cc1nc(-c2ccc(CCNc3nc(C)ccc3-c3nn[n-]n3)cc2)cs1 ZINC000822215353 607226749 /nfs/dbraw/zinc/22/67/49/607226749.db2.gz XGFSYVKZAOINQX-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc2ccccc21 ZINC000820404561 607231279 /nfs/dbraw/zinc/23/12/79/607231279.db2.gz XVDNQCWFVGLLGO-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc2ccccc21 ZINC000820404561 607231280 /nfs/dbraw/zinc/23/12/80/607231280.db2.gz XVDNQCWFVGLLGO-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM Cc1ccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000822241339 607238278 /nfs/dbraw/zinc/23/82/78/607238278.db2.gz SCJAJEXYBCKBQB-UHFFFAOYSA-N -1 3 385.855 3.649 20 0 GHADHM Cc1ccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000822241339 607238279 /nfs/dbraw/zinc/23/82/79/607238279.db2.gz SCJAJEXYBCKBQB-UHFFFAOYSA-N -1 3 385.855 3.649 20 0 GHADHM CCCCCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000821049527 607240415 /nfs/dbraw/zinc/24/04/15/607240415.db2.gz KSYULAPAGMTPEE-UHFFFAOYSA-N -1 3 383.246 3.514 20 0 GHADHM CCCCCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000821049527 607240416 /nfs/dbraw/zinc/24/04/16/607240416.db2.gz KSYULAPAGMTPEE-UHFFFAOYSA-N -1 3 383.246 3.514 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000822210748 607241599 /nfs/dbraw/zinc/24/15/99/607241599.db2.gz PMPGWLRJOITHTQ-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000822210748 607241600 /nfs/dbraw/zinc/24/16/00/607241600.db2.gz PMPGWLRJOITHTQ-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820937733 607241946 /nfs/dbraw/zinc/24/19/46/607241946.db2.gz CHEAJXMGEXSBCT-GHJWDPDVSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820937733 607241947 /nfs/dbraw/zinc/24/19/47/607241947.db2.gz CHEAJXMGEXSBCT-GHJWDPDVSA-N -1 3 377.876 3.833 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822232818 607243025 /nfs/dbraw/zinc/24/30/25/607243025.db2.gz BMWVUACVLNHSFE-CRAIPNDOSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822232818 607243026 /nfs/dbraw/zinc/24/30/26/607243026.db2.gz BMWVUACVLNHSFE-CRAIPNDOSA-N -1 3 397.866 3.935 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c2c(nc3ccccc31)CCC2 ZINC000823318353 607243118 /nfs/dbraw/zinc/24/31/18/607243118.db2.gz CVSFNXISZTZVSS-UHFFFAOYSA-N -1 3 390.834 3.809 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c2c(nc3ccccc31)CCC2 ZINC000823318353 607243119 /nfs/dbraw/zinc/24/31/19/607243119.db2.gz CVSFNXISZTZVSS-UHFFFAOYSA-N -1 3 390.834 3.809 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820548623 607244446 /nfs/dbraw/zinc/24/44/46/607244446.db2.gz DFLDKATZRVFJJI-SECBINFHSA-N -1 3 378.816 3.745 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820548623 607244447 /nfs/dbraw/zinc/24/44/47/607244447.db2.gz DFLDKATZRVFJJI-SECBINFHSA-N -1 3 378.816 3.745 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000826260658 607782689 /nfs/dbraw/zinc/78/26/89/607782689.db2.gz ZNRCJUBJDDYSNU-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000826260658 607782690 /nfs/dbraw/zinc/78/26/90/607782690.db2.gz ZNRCJUBJDDYSNU-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826326518 607782721 /nfs/dbraw/zinc/78/27/21/607782721.db2.gz SYKYDWYEZOLKBI-QMMMGPOBSA-N -1 3 388.884 3.662 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826326518 607782722 /nfs/dbraw/zinc/78/27/22/607782722.db2.gz SYKYDWYEZOLKBI-QMMMGPOBSA-N -1 3 388.884 3.662 20 0 GHADHM O=C(CS[C@@H]1CCc2c1cccc2Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826419656 607786003 /nfs/dbraw/zinc/78/60/03/607786003.db2.gz GSGXKUXLDNEGLU-QGZVFWFLSA-N -1 3 399.907 3.557 20 0 GHADHM O=C(CS[C@@H]1CCc2c1cccc2Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826419656 607786004 /nfs/dbraw/zinc/78/60/04/607786004.db2.gz GSGXKUXLDNEGLU-QGZVFWFLSA-N -1 3 399.907 3.557 20 0 GHADHM C[C@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824488591 607792936 /nfs/dbraw/zinc/79/29/36/607792936.db2.gz GGKCKAKMMFABET-INIZCTEOSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488591 607792937 /nfs/dbraw/zinc/79/29/37/607792937.db2.gz GGKCKAKMMFABET-INIZCTEOSA-N -1 3 390.491 3.691 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824342299 607793544 /nfs/dbraw/zinc/79/35/44/607793544.db2.gz PEFAYOJSFSZTRT-QAQDUYKDSA-N -1 3 397.523 3.699 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824342299 607793545 /nfs/dbraw/zinc/79/35/45/607793545.db2.gz PEFAYOJSFSZTRT-QAQDUYKDSA-N -1 3 397.523 3.699 20 0 GHADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000824796539 607794365 /nfs/dbraw/zinc/79/43/65/607794365.db2.gz QJPIQZQIVBSEES-OAHLLOKOSA-N -1 3 381.411 3.569 20 0 GHADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000824796539 607794366 /nfs/dbraw/zinc/79/43/66/607794366.db2.gz QJPIQZQIVBSEES-OAHLLOKOSA-N -1 3 381.411 3.569 20 0 GHADHM CCN(C(=O)CCCOc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371803 607798384 /nfs/dbraw/zinc/79/83/84/607798384.db2.gz MHRHJIURFUYKEQ-UHFFFAOYSA-N -1 3 385.855 3.732 20 0 GHADHM CCN(C(=O)CCCOc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371803 607798385 /nfs/dbraw/zinc/79/83/85/607798385.db2.gz MHRHJIURFUYKEQ-UHFFFAOYSA-N -1 3 385.855 3.732 20 0 GHADHM CCc1ccccc1CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825723274 607834946 /nfs/dbraw/zinc/83/49/46/607834946.db2.gz WHFTWZPRZBAKMK-UHFFFAOYSA-N -1 3 376.247 3.666 20 0 GHADHM CCc1ccccc1CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825723274 607834947 /nfs/dbraw/zinc/83/49/47/607834947.db2.gz WHFTWZPRZBAKMK-UHFFFAOYSA-N -1 3 376.247 3.666 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000826420847 607845177 /nfs/dbraw/zinc/84/51/77/607845177.db2.gz FVDUAQNCJQMPIM-INIZCTEOSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000826420847 607845178 /nfs/dbraw/zinc/84/51/78/607845178.db2.gz FVDUAQNCJQMPIM-INIZCTEOSA-N -1 3 399.907 3.806 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cccc1-c1ccccn1 ZINC000826234327 607861383 /nfs/dbraw/zinc/86/13/83/607861383.db2.gz QUEGXHXRDIUKSE-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cccc1-c1ccccn1 ZINC000826234327 607861384 /nfs/dbraw/zinc/86/13/84/607861384.db2.gz QUEGXHXRDIUKSE-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cccc1-c1ccccn1 ZINC000826235519 607861566 /nfs/dbraw/zinc/86/15/66/607861566.db2.gz LISVMTUCQVUKPX-UHFFFAOYSA-N -1 3 375.363 3.595 20 0 GHADHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cccc1-c1ccccn1 ZINC000826235519 607861567 /nfs/dbraw/zinc/86/15/67/607861567.db2.gz LISVMTUCQVUKPX-UHFFFAOYSA-N -1 3 375.363 3.595 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000826504611 607877592 /nfs/dbraw/zinc/87/75/92/607877592.db2.gz ZVZITRNXHNQKNE-ZDUSSCGKSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000826504611 607877593 /nfs/dbraw/zinc/87/75/93/607877593.db2.gz ZVZITRNXHNQKNE-ZDUSSCGKSA-N -1 3 398.772 3.521 20 0 GHADHM CCN(C(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371739 607877967 /nfs/dbraw/zinc/87/79/67/607877967.db2.gz JORCJBDINMHCAY-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371739 607877968 /nfs/dbraw/zinc/87/79/68/607877968.db2.gz JORCJBDINMHCAY-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390678 607878212 /nfs/dbraw/zinc/87/82/12/607878212.db2.gz KFBJKKFTZIMCSC-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM CCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390678 607878213 /nfs/dbraw/zinc/87/82/13/607878213.db2.gz KFBJKKFTZIMCSC-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM O[C@H](COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1cccc(F)c1 ZINC000826504676 607878372 /nfs/dbraw/zinc/87/83/72/607878372.db2.gz BBKHRADFHTZKCP-HXUWFJFHSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@H](COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccc(F)c1 ZINC000826504676 607878373 /nfs/dbraw/zinc/87/83/73/607878373.db2.gz BBKHRADFHTZKCP-HXUWFJFHSA-N -1 3 392.390 3.911 20 0 GHADHM CCN(C(=O)c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385529 607879004 /nfs/dbraw/zinc/87/90/04/607879004.db2.gz JKJXUNVQQLDWEF-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385529 607879005 /nfs/dbraw/zinc/87/90/05/607879005.db2.gz JKJXUNVQQLDWEF-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826398755 607881341 /nfs/dbraw/zinc/88/13/41/607881341.db2.gz FCYGLLVJECGKQK-YTQUADARSA-N -1 3 379.508 3.964 20 0 GHADHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826398755 607881342 /nfs/dbraw/zinc/88/13/42/607881342.db2.gz FCYGLLVJECGKQK-YTQUADARSA-N -1 3 379.508 3.964 20 0 GHADHM CC1=CCN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824852650 607911315 /nfs/dbraw/zinc/91/13/15/607911315.db2.gz OXNUHKCOUZGPRK-UHFFFAOYSA-N -1 3 391.500 3.951 20 0 GHADHM CC1=CCN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824852650 607911316 /nfs/dbraw/zinc/91/13/16/607911316.db2.gz OXNUHKCOUZGPRK-UHFFFAOYSA-N -1 3 391.500 3.951 20 0 GHADHM c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826523718 607936259 /nfs/dbraw/zinc/93/62/59/607936259.db2.gz VMLMGDOZCQHNRY-UHFFFAOYSA-N -1 3 392.426 3.566 20 0 GHADHM c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826523718 607936260 /nfs/dbraw/zinc/93/62/60/607936260.db2.gz VMLMGDOZCQHNRY-UHFFFAOYSA-N -1 3 392.426 3.566 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826284742 607947232 /nfs/dbraw/zinc/94/72/32/607947232.db2.gz DCBKKKGUTOMXEJ-CPEPPOAQSA-N -1 3 390.443 3.652 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)cc1 ZINC000826284742 607947233 /nfs/dbraw/zinc/94/72/33/607947233.db2.gz DCBKKKGUTOMXEJ-CPEPPOAQSA-N -1 3 390.443 3.652 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826011079 607953309 /nfs/dbraw/zinc/95/33/09/607953309.db2.gz WDLLESNVYLKZOK-UHFFFAOYSA-N -1 3 396.454 3.838 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826011079 607953310 /nfs/dbraw/zinc/95/33/10/607953310.db2.gz WDLLESNVYLKZOK-UHFFFAOYSA-N -1 3 396.454 3.838 20 0 GHADHM Cc1ccc(SCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C ZINC000826293043 607954265 /nfs/dbraw/zinc/95/42/65/607954265.db2.gz YEESNFRUJSNOBM-UHFFFAOYSA-N -1 3 379.489 3.555 20 0 GHADHM Cc1ccc(SCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C ZINC000826293043 607954266 /nfs/dbraw/zinc/95/42/66/607954266.db2.gz YEESNFRUJSNOBM-UHFFFAOYSA-N -1 3 379.489 3.555 20 0 GHADHM O=C(c1ccc(Oc2ccccc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473062 607954530 /nfs/dbraw/zinc/95/45/30/607954530.db2.gz JFVBPSNXQXBXAW-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM O=C(c1ccc(Oc2ccccc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473062 607954531 /nfs/dbraw/zinc/95/45/31/607954531.db2.gz JFVBPSNXQXBXAW-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337083 607965835 /nfs/dbraw/zinc/96/58/35/607965835.db2.gz BCTVXRKHRXZIFB-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337083 607965836 /nfs/dbraw/zinc/96/58/36/607965836.db2.gz BCTVXRKHRXZIFB-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337693 607966050 /nfs/dbraw/zinc/96/60/50/607966050.db2.gz XPUCXRTYJSCQLF-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337693 607966051 /nfs/dbraw/zinc/96/60/51/607966051.db2.gz XPUCXRTYJSCQLF-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCN(c2ccccc2)C1 ZINC000823826055 607988968 /nfs/dbraw/zinc/98/89/68/607988968.db2.gz BRXKYYJDBLTGQU-CYBMUJFWSA-N -1 3 399.296 3.568 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824723299 607994659 /nfs/dbraw/zinc/99/46/59/607994659.db2.gz PBRWMEHVXXALEK-QMMMGPOBSA-N -1 3 399.760 3.795 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824723299 607994660 /nfs/dbraw/zinc/99/46/60/607994660.db2.gz PBRWMEHVXXALEK-QMMMGPOBSA-N -1 3 399.760 3.795 20 0 GHADHM Cc1cc([C@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262265 608009535 /nfs/dbraw/zinc/00/95/35/608009535.db2.gz JQGQUNWNBPPAGG-HXUWFJFHSA-N -1 3 379.439 3.514 20 0 GHADHM Cc1cc([C@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262265 608009536 /nfs/dbraw/zinc/00/95/36/608009536.db2.gz JQGQUNWNBPPAGG-HXUWFJFHSA-N -1 3 379.439 3.514 20 0 GHADHM Cc1cc([C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262744 608009607 /nfs/dbraw/zinc/00/96/07/608009607.db2.gz XBWREBROCVQBNP-LJQANCHMSA-N -1 3 397.479 3.674 20 0 GHADHM Cc1cc([C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262744 608009608 /nfs/dbraw/zinc/00/96/08/608009608.db2.gz XBWREBROCVQBNP-LJQANCHMSA-N -1 3 397.479 3.674 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081111 608029016 /nfs/dbraw/zinc/02/90/16/608029016.db2.gz GICOAJFDLUYMAM-QWHCGFSZSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081111 608029017 /nfs/dbraw/zinc/02/90/17/608029017.db2.gz GICOAJFDLUYMAM-QWHCGFSZSA-N -1 3 380.452 3.830 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826441160 608033333 /nfs/dbraw/zinc/03/33/33/608033333.db2.gz QNSKXBNALAYSOT-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826441160 608033334 /nfs/dbraw/zinc/03/33/34/608033334.db2.gz QNSKXBNALAYSOT-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826441161 608033433 /nfs/dbraw/zinc/03/34/33/608033433.db2.gz QNSKXBNALAYSOT-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826441161 608033434 /nfs/dbraw/zinc/03/34/34/608033434.db2.gz QNSKXBNALAYSOT-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1c(Cl)oc2ccccc12 ZINC000826483772 608046706 /nfs/dbraw/zinc/04/67/06/608046706.db2.gz ZKYKPUUPDSBEND-NTEUORMPSA-N -1 3 391.774 3.611 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1c(Cl)oc2ccccc12 ZINC000826483772 608046707 /nfs/dbraw/zinc/04/67/07/608046707.db2.gz ZKYKPUUPDSBEND-NTEUORMPSA-N -1 3 391.774 3.611 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000824046616 608058728 /nfs/dbraw/zinc/05/87/28/608058728.db2.gz UGZLQHTWAPUTSX-OAHLLOKOSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(C(=O)c2ccccc2)c1 ZINC000824046616 608058729 /nfs/dbraw/zinc/05/87/29/608058729.db2.gz UGZLQHTWAPUTSX-OAHLLOKOSA-N -1 3 397.438 3.840 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826456956 608087482 /nfs/dbraw/zinc/08/74/82/608087482.db2.gz GGSSHCSUGYMKRG-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C1CC1 ZINC000825083267 608106337 /nfs/dbraw/zinc/10/63/37/608106337.db2.gz ZEZOVJIAJINMDR-LLVKDONJSA-N -1 3 380.456 3.864 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C1CC1 ZINC000825083267 608106338 /nfs/dbraw/zinc/10/63/38/608106338.db2.gz ZEZOVJIAJINMDR-LLVKDONJSA-N -1 3 380.456 3.864 20 0 GHADHM S=C(NCC1(c2ccccc2Cl)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000826511315 608109896 /nfs/dbraw/zinc/10/98/96/608109896.db2.gz KMIPOJXRQLDQOL-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM S=C(NCC1(c2ccccc2Cl)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000826511315 608109897 /nfs/dbraw/zinc/10/98/97/608109897.db2.gz KMIPOJXRQLDQOL-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826473635 608130773 /nfs/dbraw/zinc/13/07/73/608130773.db2.gz HGZFZEHVPJGCFS-HNNXBMFYSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826473635 608130774 /nfs/dbraw/zinc/13/07/74/608130774.db2.gz HGZFZEHVPJGCFS-HNNXBMFYSA-N -1 3 387.365 3.515 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC(C)(C)C1 ZINC000824977301 608139495 /nfs/dbraw/zinc/13/94/95/608139495.db2.gz QEHDWPVWPXGOGK-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COc1cc(Cl)c(C=O)cc1Cl ZINC000826184578 608153749 /nfs/dbraw/zinc/15/37/49/608153749.db2.gz CBKSPIREJSBHBJ-UHFFFAOYSA-N -1 3 379.203 3.574 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1cc(Cl)c(C=O)cc1Cl ZINC000826184578 608153750 /nfs/dbraw/zinc/15/37/50/608153750.db2.gz CBKSPIREJSBHBJ-UHFFFAOYSA-N -1 3 379.203 3.574 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cccc(F)n1 ZINC000826455262 608169608 /nfs/dbraw/zinc/16/96/08/608169608.db2.gz GYRQKUXMKFKTMG-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cccc(F)n1 ZINC000826455262 608169610 /nfs/dbraw/zinc/16/96/10/608169610.db2.gz GYRQKUXMKFKTMG-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000825224889 608180334 /nfs/dbraw/zinc/18/03/34/608180334.db2.gz GCXMYLHFDJBGBV-UHFFFAOYSA-N -1 3 390.856 3.573 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000825224889 608180335 /nfs/dbraw/zinc/18/03/35/608180335.db2.gz GCXMYLHFDJBGBV-UHFFFAOYSA-N -1 3 390.856 3.573 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)cc1 ZINC000826351406 608223454 /nfs/dbraw/zinc/22/34/54/608223454.db2.gz LOQAUTIJAGSMSZ-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)cc1 ZINC000826351406 608223456 /nfs/dbraw/zinc/22/34/56/608223456.db2.gz LOQAUTIJAGSMSZ-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000824663266 608224839 /nfs/dbraw/zinc/22/48/39/608224839.db2.gz XEXCPISXXQFROK-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000824663266 608224841 /nfs/dbraw/zinc/22/48/41/608224841.db2.gz XEXCPISXXQFROK-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000824757216 608251593 /nfs/dbraw/zinc/25/15/93/608251593.db2.gz UOWPYRAACWHHFW-GFCCVEGCSA-N -1 3 399.426 3.589 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000824757216 608251595 /nfs/dbraw/zinc/25/15/95/608251595.db2.gz UOWPYRAACWHHFW-GFCCVEGCSA-N -1 3 399.426 3.589 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825194214 608260161 /nfs/dbraw/zinc/26/01/61/608260161.db2.gz PNHCVTWEVLFNRB-XJKSGUPXSA-N -1 3 393.451 3.849 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccnc(Cl)c1 ZINC000826441311 608306281 /nfs/dbraw/zinc/30/62/81/608306281.db2.gz YLKBYJVSDVUTBY-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccnc(Cl)c1 ZINC000826441311 608306283 /nfs/dbraw/zinc/30/62/83/608306283.db2.gz YLKBYJVSDVUTBY-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CS[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000826173377 608322528 /nfs/dbraw/zinc/32/25/28/608322528.db2.gz AUPOAJOJKRFNEK-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CS[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000826173377 608322529 /nfs/dbraw/zinc/32/25/29/608322529.db2.gz AUPOAJOJKRFNEK-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM CC(C)CCO[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824249225 608327710 /nfs/dbraw/zinc/32/77/10/608327710.db2.gz LRLIJYGIWXOXRY-MRXNPFEDSA-N -1 3 393.491 3.601 20 0 GHADHM CC(C)CCO[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824249225 608327712 /nfs/dbraw/zinc/32/77/12/608327712.db2.gz LRLIJYGIWXOXRY-MRXNPFEDSA-N -1 3 393.491 3.601 20 0 GHADHM Cc1oc(C)c(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000826340601 608328125 /nfs/dbraw/zinc/32/81/25/608328125.db2.gz DQIZPFOQFNXPAR-UHFFFAOYSA-N -1 3 387.443 3.982 20 0 GHADHM Cc1oc(C)c(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000826340601 608328126 /nfs/dbraw/zinc/32/81/26/608328126.db2.gz DQIZPFOQFNXPAR-UHFFFAOYSA-N -1 3 387.443 3.982 20 0 GHADHM CCN(C(=O)c1cncc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391300 608344421 /nfs/dbraw/zinc/34/44/21/608344421.db2.gz XPLIUFVHMUYGPR-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1cncc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391300 608344422 /nfs/dbraw/zinc/34/44/22/608344422.db2.gz XPLIUFVHMUYGPR-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824908184 608355898 /nfs/dbraw/zinc/35/58/98/608355898.db2.gz NIFXWKRFHMVIPH-GJZGRUSLSA-N -1 3 376.464 3.616 20 0 GHADHM C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824908184 608355899 /nfs/dbraw/zinc/35/58/99/608355899.db2.gz NIFXWKRFHMVIPH-GJZGRUSLSA-N -1 3 376.464 3.616 20 0 GHADHM Fc1c(CSCc2csc(-c3ccccn3)n2)cccc1-c1nnn[n-]1 ZINC000826371135 608404548 /nfs/dbraw/zinc/40/45/48/608404548.db2.gz UXBYANDYCGGZPY-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM Fc1c(CSCc2csc(-c3ccccn3)n2)cccc1-c1nn[n-]n1 ZINC000826371135 608404549 /nfs/dbraw/zinc/40/45/49/608404549.db2.gz UXBYANDYCGGZPY-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM CC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(Cl)c1 ZINC000825149397 608433975 /nfs/dbraw/zinc/43/39/75/608433975.db2.gz XVFUQWROLHUUTI-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(Cl)c1 ZINC000825149397 608433977 /nfs/dbraw/zinc/43/39/77/608433977.db2.gz XVFUQWROLHUUTI-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Cl)cc2cccnc21 ZINC000826465956 608448805 /nfs/dbraw/zinc/44/88/05/608448805.db2.gz JUCYRUPCGWTSGU-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Cl)cc2cccnc21 ZINC000826465956 608448807 /nfs/dbraw/zinc/44/88/07/608448807.db2.gz JUCYRUPCGWTSGU-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(Nc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826455562 608471564 /nfs/dbraw/zinc/47/15/64/608471564.db2.gz UQRMZMXIJQCVBZ-UHFFFAOYSA-N -1 3 385.431 3.669 20 0 GHADHM O=C(Nc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826455562 608471565 /nfs/dbraw/zinc/47/15/65/608471565.db2.gz UQRMZMXIJQCVBZ-UHFFFAOYSA-N -1 3 385.431 3.669 20 0 GHADHM O=C(Nc1cc(F)cc(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826451808 608473091 /nfs/dbraw/zinc/47/30/91/608473091.db2.gz XEFFNLZVLAPVRS-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1cc(F)cc(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826451808 608473093 /nfs/dbraw/zinc/47/30/93/608473093.db2.gz XEFFNLZVLAPVRS-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM C[C@@H](NC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccs1 ZINC000824521848 608474970 /nfs/dbraw/zinc/47/49/70/608474970.db2.gz NONZWIKLZFAGOU-CYBMUJFWSA-N -1 3 396.545 3.653 20 0 GHADHM C[C@@H](NC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccs1 ZINC000824521848 608474972 /nfs/dbraw/zinc/47/49/72/608474972.db2.gz NONZWIKLZFAGOU-CYBMUJFWSA-N -1 3 396.545 3.653 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825126393 608477546 /nfs/dbraw/zinc/47/75/46/608477546.db2.gz HWKXRUWXYKCEPH-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825126393 608477547 /nfs/dbraw/zinc/47/75/47/608477547.db2.gz HWKXRUWXYKCEPH-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM O=C(NOC1CCCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826449728 608478572 /nfs/dbraw/zinc/47/85/72/608478572.db2.gz HKKZVHTZGFABRZ-UHFFFAOYSA-N -1 3 380.408 3.655 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824459038 608479911 /nfs/dbraw/zinc/47/99/11/608479911.db2.gz YMHBYZRQBSWKTB-HNNXBMFYSA-N -1 3 391.450 3.500 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824459038 608479914 /nfs/dbraw/zinc/47/99/14/608479914.db2.gz YMHBYZRQBSWKTB-HNNXBMFYSA-N -1 3 391.450 3.500 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(Cl)cc1F ZINC000826257451 608480574 /nfs/dbraw/zinc/48/05/74/608480574.db2.gz CWZRORNUQXRGNG-UHFFFAOYSA-N -1 3 397.841 3.897 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)cc1F ZINC000826257451 608480575 /nfs/dbraw/zinc/48/05/75/608480575.db2.gz CWZRORNUQXRGNG-UHFFFAOYSA-N -1 3 397.841 3.897 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1(C)C ZINC000824176783 608482375 /nfs/dbraw/zinc/48/23/75/608482375.db2.gz AEVITSDHBYBZSZ-RBUKOAKNSA-N -1 3 377.492 3.721 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1(C)C ZINC000824176783 608482378 /nfs/dbraw/zinc/48/23/78/608482378.db2.gz AEVITSDHBYBZSZ-RBUKOAKNSA-N -1 3 377.492 3.721 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826441848 608490888 /nfs/dbraw/zinc/49/08/88/608490888.db2.gz YDOQIYJYSBMVOJ-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826441848 608490889 /nfs/dbraw/zinc/49/08/89/608490889.db2.gz YDOQIYJYSBMVOJ-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429379 608492155 /nfs/dbraw/zinc/49/21/55/608492155.db2.gz AYECVHGXBJBYEZ-CDHQVMDDSA-N -1 3 392.507 3.634 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429379 608492156 /nfs/dbraw/zinc/49/21/56/608492156.db2.gz AYECVHGXBJBYEZ-CDHQVMDDSA-N -1 3 392.507 3.634 20 0 GHADHM c1ccc([C@H](CC2CC2)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826520767 608528737 /nfs/dbraw/zinc/52/87/37/608528737.db2.gz QTYAZGUEZLRTQI-SFHVURJKSA-N -1 3 387.447 3.548 20 0 GHADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1F ZINC000825139347 608535282 /nfs/dbraw/zinc/53/52/82/608535282.db2.gz FCPLULZZXJSBJK-HNNXBMFYSA-N -1 3 395.360 3.987 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(c2cccnc2)CC1 ZINC000826268061 608553865 /nfs/dbraw/zinc/55/38/65/608553865.db2.gz IJCICVSKLCKFSJ-UHFFFAOYSA-N -1 3 389.438 3.641 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(c2cccnc2)CC1 ZINC000826268061 608553866 /nfs/dbraw/zinc/55/38/66/608553866.db2.gz IJCICVSKLCKFSJ-UHFFFAOYSA-N -1 3 389.438 3.641 20 0 GHADHM Fc1ccccc1COC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826378237 608558575 /nfs/dbraw/zinc/55/85/75/608558575.db2.gz ARWRHDJAYMVYAT-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccccc1COC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826378237 608558577 /nfs/dbraw/zinc/55/85/77/608558577.db2.gz ARWRHDJAYMVYAT-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM O=C(Nc1ccc(F)cc1Br)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454612 608575869 /nfs/dbraw/zinc/57/58/69/608575869.db2.gz CZGUZOUYIYXRSJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1Br)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454612 608575871 /nfs/dbraw/zinc/57/58/71/608575871.db2.gz CZGUZOUYIYXRSJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cnc(-c2ccccc2)s1 ZINC000826420917 608585242 /nfs/dbraw/zinc/58/52/42/608585242.db2.gz IYXJXVAHHZAABN-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cnc(-c2ccccc2)s1 ZINC000826420917 608585244 /nfs/dbraw/zinc/58/52/44/608585244.db2.gz IYXJXVAHHZAABN-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000824910336 608597605 /nfs/dbraw/zinc/59/76/05/608597605.db2.gz XCXHXUHWUCXCIB-ZIAGYGMSSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000824910336 608597606 /nfs/dbraw/zinc/59/76/06/608597606.db2.gz XCXHXUHWUCXCIB-ZIAGYGMSSA-N -1 3 393.451 3.706 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825981822 608635558 /nfs/dbraw/zinc/63/55/58/608635558.db2.gz YSBHOPAFDXYETC-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825981822 608635561 /nfs/dbraw/zinc/63/55/61/608635561.db2.gz YSBHOPAFDXYETC-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000824738780 608824342 /nfs/dbraw/zinc/82/43/42/608824342.db2.gz RCVUWAXMXQTGEY-ABAIWWIYSA-N -1 3 398.385 3.688 20 0 GHADHM Cc1n[nH]c2cc(NC(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)ccc12 ZINC000826322193 608829123 /nfs/dbraw/zinc/82/91/23/608829123.db2.gz BWBSSRNSUUXAAH-UHFFFAOYSA-N -1 3 388.218 3.611 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824114513 608837598 /nfs/dbraw/zinc/83/75/98/608837598.db2.gz VQIWUPLKDWWDPO-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824114513 608837600 /nfs/dbraw/zinc/83/76/00/608837600.db2.gz VQIWUPLKDWWDPO-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826183920 609151516 /nfs/dbraw/zinc/15/15/16/609151516.db2.gz FLGWSUWFFATLKF-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826183920 609151518 /nfs/dbraw/zinc/15/15/18/609151518.db2.gz FLGWSUWFFATLKF-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)cc1 ZINC000826187242 609165646 /nfs/dbraw/zinc/16/56/46/609165646.db2.gz HHUXNVOYVAJWTJ-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)cc1 ZINC000826187242 609165648 /nfs/dbraw/zinc/16/56/48/609165648.db2.gz HHUXNVOYVAJWTJ-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CC[C@@H](C)O2)c1-c1nnn[n-]1 ZINC000826233546 609168055 /nfs/dbraw/zinc/16/80/55/609168055.db2.gz LXHQILJYDFRQAD-CXAGYDPISA-N -1 3 394.479 3.560 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CC[C@@H](C)O2)c1-c1nn[n-]n1 ZINC000826233546 609168057 /nfs/dbraw/zinc/16/80/57/609168057.db2.gz LXHQILJYDFRQAD-CXAGYDPISA-N -1 3 394.479 3.560 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccc(C)cc2)n1 ZINC000826186980 609176225 /nfs/dbraw/zinc/17/62/25/609176225.db2.gz TUGNLQUBDAQFBP-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1csc(Br)c1 ZINC000825480743 609179169 /nfs/dbraw/zinc/17/91/69/609179169.db2.gz IOXQRVZXXYMIFZ-UHFFFAOYSA-N -1 3 379.287 3.735 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1cccc(Cl)c1 ZINC000826278811 609180581 /nfs/dbraw/zinc/18/05/81/609180581.db2.gz UQYGNUNNDSRJAT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1cccc(Cl)c1 ZINC000826278811 609180583 /nfs/dbraw/zinc/18/05/83/609180583.db2.gz UQYGNUNNDSRJAT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)nn1-c1ccccc1Cl ZINC000826271346 609180809 /nfs/dbraw/zinc/18/08/09/609180809.db2.gz NWOPRWVFGTXRBB-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)nn1-c1ccccc1Cl ZINC000826271346 609180812 /nfs/dbraw/zinc/18/08/12/609180812.db2.gz NWOPRWVFGTXRBB-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2cccs2)cc1 ZINC000824347944 609190654 /nfs/dbraw/zinc/19/06/54/609190654.db2.gz UKNACRDSCSXERO-SFHVURJKSA-N -1 3 392.488 3.899 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2cccs2)cc1 ZINC000824347944 609190656 /nfs/dbraw/zinc/19/06/56/609190656.db2.gz UKNACRDSCSXERO-SFHVURJKSA-N -1 3 392.488 3.899 20 0 GHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825341645 609219993 /nfs/dbraw/zinc/21/99/93/609219993.db2.gz GRIMZEBBXHOJAH-MRXNPFEDSA-N -1 3 382.468 3.501 20 0 GHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825341645 609219994 /nfs/dbraw/zinc/21/99/94/609219994.db2.gz GRIMZEBBXHOJAH-MRXNPFEDSA-N -1 3 382.468 3.501 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384883 609232145 /nfs/dbraw/zinc/23/21/45/609232145.db2.gz IJXGKLNETCBNKP-CHWSQXEVSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384883 609232147 /nfs/dbraw/zinc/23/21/47/609232147.db2.gz IJXGKLNETCBNKP-CHWSQXEVSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662285 609236984 /nfs/dbraw/zinc/23/69/84/609236984.db2.gz HMUVEUHBRKQMQV-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662285 609236985 /nfs/dbraw/zinc/23/69/85/609236985.db2.gz HMUVEUHBRKQMQV-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1ccc(C)c([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000826284349 609242780 /nfs/dbraw/zinc/24/27/80/609242780.db2.gz QUMIQYCYNKKUKY-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc(C)c([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000826284349 609242781 /nfs/dbraw/zinc/24/27/81/609242781.db2.gz QUMIQYCYNKKUKY-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM COCCc1nc2cc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)ccc2o1 ZINC000826163267 609242804 /nfs/dbraw/zinc/24/28/04/609242804.db2.gz MQUAZVRZWIIXFF-QGZVFWFLSA-N -1 3 390.447 3.686 20 0 GHADHM COCCc1nc2cc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc2o1 ZINC000826163267 609242805 /nfs/dbraw/zinc/24/28/05/609242805.db2.gz MQUAZVRZWIIXFF-QGZVFWFLSA-N -1 3 390.447 3.686 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824992661 609276125 /nfs/dbraw/zinc/27/61/25/609276125.db2.gz NLJQTPBTFBVDGT-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824992661 609276126 /nfs/dbraw/zinc/27/61/26/609276126.db2.gz NLJQTPBTFBVDGT-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662425 609276290 /nfs/dbraw/zinc/27/62/90/609276290.db2.gz JVVPLPKAWYEBJX-CQSZACIVSA-N -1 3 394.454 3.805 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662425 609276291 /nfs/dbraw/zinc/27/62/91/609276291.db2.gz JVVPLPKAWYEBJX-CQSZACIVSA-N -1 3 394.454 3.805 20 0 GHADHM CN(C)c1nc2cc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)ccc2o1 ZINC000825882982 609279681 /nfs/dbraw/zinc/27/96/81/609279681.db2.gz AKGQOSGLWLNVJH-MRXNPFEDSA-N -1 3 375.436 3.563 20 0 GHADHM CN(C)c1nc2cc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc2o1 ZINC000825882982 609279682 /nfs/dbraw/zinc/27/96/82/609279682.db2.gz AKGQOSGLWLNVJH-MRXNPFEDSA-N -1 3 375.436 3.563 20 0 GHADHM COc1cccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826215201 609286753 /nfs/dbraw/zinc/28/67/53/609286753.db2.gz JCDWBKMUBLDYMN-QGZVFWFLSA-N -1 3 383.839 3.506 20 0 GHADHM COc1cccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826215201 609286754 /nfs/dbraw/zinc/28/67/54/609286754.db2.gz JCDWBKMUBLDYMN-QGZVFWFLSA-N -1 3 383.839 3.506 20 0 GHADHM Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc2)n[nH]1 ZINC000826271956 609293811 /nfs/dbraw/zinc/29/38/11/609293811.db2.gz OTYLWEPHJCRBEJ-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc2)n[nH]1 ZINC000826271956 609293812 /nfs/dbraw/zinc/29/38/12/609293812.db2.gz OTYLWEPHJCRBEJ-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM CSc1ccccc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826231409 609294198 /nfs/dbraw/zinc/29/41/98/609294198.db2.gz KETLIMIFJSNSKN-UHFFFAOYSA-N -1 3 386.502 3.565 20 0 GHADHM CSc1ccccc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826231409 609294200 /nfs/dbraw/zinc/29/42/00/609294200.db2.gz KETLIMIFJSNSKN-UHFFFAOYSA-N -1 3 386.502 3.565 20 0 GHADHM Cc1nnc(SCCOc2cc(Cl)cc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826336794 609305618 /nfs/dbraw/zinc/30/56/18/609305618.db2.gz ODPOCFOQPGARIW-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM Cc1nnc(SCCOc2cc(Cl)cc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826336794 609305620 /nfs/dbraw/zinc/30/56/20/609305620.db2.gz ODPOCFOQPGARIW-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826155038 609315236 /nfs/dbraw/zinc/31/52/36/609315236.db2.gz DOUDOEVXMZXWGU-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826155038 609315238 /nfs/dbraw/zinc/31/52/38/609315238.db2.gz DOUDOEVXMZXWGU-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826155563 609316541 /nfs/dbraw/zinc/31/65/41/609316541.db2.gz UTZAENSSGKWFFV-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826155563 609316542 /nfs/dbraw/zinc/31/65/42/609316542.db2.gz UTZAENSSGKWFFV-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM C[C@H]1SCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000825021029 609320279 /nfs/dbraw/zinc/32/02/79/609320279.db2.gz OBESGXYLDIJVHI-UONOGXRCSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1SCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000825021029 609320281 /nfs/dbraw/zinc/32/02/81/609320281.db2.gz OBESGXYLDIJVHI-UONOGXRCSA-N -1 3 395.488 3.625 20 0 GHADHM CCOc1cc2c(cc1CN[C@@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000825616138 609323392 /nfs/dbraw/zinc/32/33/92/609323392.db2.gz XRTGEANAKQDBGR-STQMWFEESA-N -1 3 397.454 3.579 20 0 GHADHM CCOc1cc2c(cc1CN[C@@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000825616138 609323393 /nfs/dbraw/zinc/32/33/93/609323393.db2.gz XRTGEANAKQDBGR-STQMWFEESA-N -1 3 397.454 3.579 20 0 GHADHM C[C@H](NCc1ccc(OC2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824618966 609327859 /nfs/dbraw/zinc/32/78/59/609327859.db2.gz SSQNAGKGFZIOSN-ZDUSSCGKSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@@H](NCc1sccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824633368 609341423 /nfs/dbraw/zinc/34/14/23/609341423.db2.gz LVEGHDJHTUPNMA-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@@H](NCc1sccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824633368 609341425 /nfs/dbraw/zinc/34/14/25/609341425.db2.gz LVEGHDJHTUPNMA-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)c1ccsc1 ZINC000824051765 609345733 /nfs/dbraw/zinc/34/57/33/609345733.db2.gz DIJDRRKCPIVGQI-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)c1ccsc1 ZINC000824051765 609345734 /nfs/dbraw/zinc/34/57/34/609345734.db2.gz DIJDRRKCPIVGQI-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826161183 609347851 /nfs/dbraw/zinc/34/78/51/609347851.db2.gz WZZZWNARERGCNQ-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826161183 609347853 /nfs/dbraw/zinc/34/78/53/609347853.db2.gz WZZZWNARERGCNQ-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cccc1C(=O)N1CCCC1 ZINC000826242228 609349520 /nfs/dbraw/zinc/34/95/20/609349520.db2.gz GDLAWUTVGHOHSR-CQSZACIVSA-N -1 3 394.454 3.723 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cccc1C(=O)N1CCCC1 ZINC000826242228 609349522 /nfs/dbraw/zinc/34/95/22/609349522.db2.gz GDLAWUTVGHOHSR-CQSZACIVSA-N -1 3 394.454 3.723 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1F ZINC000826242451 609349582 /nfs/dbraw/zinc/34/95/82/609349582.db2.gz PGXQWGRBQZRHPF-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1F ZINC000826242451 609349584 /nfs/dbraw/zinc/34/95/84/609349584.db2.gz PGXQWGRBQZRHPF-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM C[C@H](c1ccccc1F)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770575 609358023 /nfs/dbraw/zinc/35/80/23/609358023.db2.gz MCIMSTDSJOWSCE-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM C[C@H](c1ccccc1F)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770575 609358025 /nfs/dbraw/zinc/35/80/25/609358025.db2.gz MCIMSTDSJOWSCE-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM CCCCOCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825290598 609364680 /nfs/dbraw/zinc/36/46/80/609364680.db2.gz ATNLVQPJKQVJJK-UHFFFAOYSA-N -1 3 395.463 3.596 20 0 GHADHM CCCCOCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825290598 609364682 /nfs/dbraw/zinc/36/46/82/609364682.db2.gz ATNLVQPJKQVJJK-UHFFFAOYSA-N -1 3 395.463 3.596 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825159303 609366006 /nfs/dbraw/zinc/36/60/06/609366006.db2.gz NBZJHYNZWOEZBV-INIZCTEOSA-N -1 3 387.285 3.607 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825159303 609366008 /nfs/dbraw/zinc/36/60/08/609366008.db2.gz NBZJHYNZWOEZBV-INIZCTEOSA-N -1 3 387.285 3.607 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826453830 609382173 /nfs/dbraw/zinc/38/21/73/609382173.db2.gz AYVQVPJAEYZTBN-ZDUSSCGKSA-N -1 3 398.417 3.947 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826453830 609382174 /nfs/dbraw/zinc/38/21/74/609382174.db2.gz AYVQVPJAEYZTBN-ZDUSSCGKSA-N -1 3 398.417 3.947 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826408385 609409477 /nfs/dbraw/zinc/40/94/77/609409477.db2.gz DCJSMSKEQQNREX-UHFFFAOYSA-N -1 3 393.466 3.781 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826408385 609409479 /nfs/dbraw/zinc/40/94/79/609409479.db2.gz DCJSMSKEQQNREX-UHFFFAOYSA-N -1 3 393.466 3.781 20 0 GHADHM OCc1ccc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)cc1 ZINC000826510187 609421371 /nfs/dbraw/zinc/42/13/71/609421371.db2.gz BXDAKQQSKHZBEA-UHFFFAOYSA-N -1 3 375.457 3.713 20 0 GHADHM OCc1ccc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)cc1 ZINC000826510187 609421373 /nfs/dbraw/zinc/42/13/73/609421373.db2.gz BXDAKQQSKHZBEA-UHFFFAOYSA-N -1 3 375.457 3.713 20 0 GHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)[C@H]2C ZINC000826212378 609426677 /nfs/dbraw/zinc/42/66/77/609426677.db2.gz OQDHMOGWEVQUSO-RYUDHWBXSA-N -1 3 397.866 3.677 20 0 GHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)[C@H]2C ZINC000826212378 609426679 /nfs/dbraw/zinc/42/66/79/609426679.db2.gz OQDHMOGWEVQUSO-RYUDHWBXSA-N -1 3 397.866 3.677 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826272314 609446913 /nfs/dbraw/zinc/44/69/13/609446913.db2.gz DFECSBFKVSZUAI-UHFFFAOYSA-N -1 3 376.445 3.907 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826272314 609446915 /nfs/dbraw/zinc/44/69/15/609446915.db2.gz DFECSBFKVSZUAI-UHFFFAOYSA-N -1 3 376.445 3.907 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)C1 ZINC000824926626 609449940 /nfs/dbraw/zinc/44/99/40/609449940.db2.gz KLFDLCDMJVCSMR-CXAGYDPISA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)C1 ZINC000824926626 609449943 /nfs/dbraw/zinc/44/99/43/609449943.db2.gz KLFDLCDMJVCSMR-CXAGYDPISA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824499627 609452055 /nfs/dbraw/zinc/45/20/55/609452055.db2.gz QEGISWWOJMWCFK-GWCFXTLKSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824499627 609452057 /nfs/dbraw/zinc/45/20/57/609452057.db2.gz QEGISWWOJMWCFK-GWCFXTLKSA-N -1 3 384.406 3.594 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826365894 609453799 /nfs/dbraw/zinc/45/37/99/609453799.db2.gz ISXZJQNUPVYOSC-UHFFFAOYSA-N -1 3 388.806 3.706 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826365894 609453801 /nfs/dbraw/zinc/45/38/01/609453801.db2.gz ISXZJQNUPVYOSC-UHFFFAOYSA-N -1 3 388.806 3.706 20 0 GHADHM O=C(Nc1cccc(CSCc2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456759 609464294 /nfs/dbraw/zinc/46/42/94/609464294.db2.gz VTMBMNJJVGQLRN-UHFFFAOYSA-N -1 3 390.472 3.881 20 0 GHADHM O=C(Nc1cccc(CSCc2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456759 609464297 /nfs/dbraw/zinc/46/42/97/609464297.db2.gz VTMBMNJJVGQLRN-UHFFFAOYSA-N -1 3 390.472 3.881 20 0 GHADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(OCC(F)(F)F)c1 ZINC000826375228 609479338 /nfs/dbraw/zinc/47/93/38/609479338.db2.gz DULABWMVMHNZLR-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(OCC(F)(F)F)c1 ZINC000826375228 609479340 /nfs/dbraw/zinc/47/93/40/609479340.db2.gz DULABWMVMHNZLR-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824925065 609487088 /nfs/dbraw/zinc/48/70/88/609487088.db2.gz AJZSZPBHSCKMMN-KUHUBIRLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824925065 609487092 /nfs/dbraw/zinc/48/70/92/609487092.db2.gz AJZSZPBHSCKMMN-KUHUBIRLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824929476 609489194 /nfs/dbraw/zinc/48/91/94/609489194.db2.gz XWLWOTRICHXQBG-YWZLYKJASA-N -1 3 393.466 3.971 20 0 GHADHM C[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824929476 609489196 /nfs/dbraw/zinc/48/91/96/609489196.db2.gz XWLWOTRICHXQBG-YWZLYKJASA-N -1 3 393.466 3.971 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC000825553189 609490503 /nfs/dbraw/zinc/49/05/03/609490503.db2.gz LXCLYAHUJSXGCO-UHFFFAOYSA-N -1 3 377.408 3.529 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC000825553189 609490504 /nfs/dbraw/zinc/49/05/04/609490504.db2.gz LXCLYAHUJSXGCO-UHFFFAOYSA-N -1 3 377.408 3.529 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826452329 609493502 /nfs/dbraw/zinc/49/35/02/609493502.db2.gz PPKWNESRWAZWJK-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826452329 609493504 /nfs/dbraw/zinc/49/35/04/609493504.db2.gz PPKWNESRWAZWJK-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(OCc4ccccc4-c4nnn[n-]4)c23)C1 ZINC000824966770 609496974 /nfs/dbraw/zinc/49/69/74/609496974.db2.gz DQIWYPIHBFZJCJ-LLVKDONJSA-N -1 3 378.461 3.575 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(OCc4ccccc4-c4nn[n-]n4)c23)C1 ZINC000824966770 609496975 /nfs/dbraw/zinc/49/69/75/609496975.db2.gz DQIWYPIHBFZJCJ-LLVKDONJSA-N -1 3 378.461 3.575 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000826244295 609501053 /nfs/dbraw/zinc/50/10/53/609501053.db2.gz NPUPHRLAIBPABH-UHFFFAOYSA-N -1 3 381.439 3.868 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000826244295 609501055 /nfs/dbraw/zinc/50/10/55/609501055.db2.gz NPUPHRLAIBPABH-UHFFFAOYSA-N -1 3 381.439 3.868 20 0 GHADHM FC(F)Oc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000826369981 609509076 /nfs/dbraw/zinc/50/90/76/609509076.db2.gz YKYXLDZUNGXSOW-UHFFFAOYSA-N -1 3 396.810 3.930 20 0 GHADHM FC(F)Oc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000826369981 609509077 /nfs/dbraw/zinc/50/90/77/609509077.db2.gz YKYXLDZUNGXSOW-UHFFFAOYSA-N -1 3 396.810 3.930 20 0 GHADHM Cc1ccnc(N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1-c1nnn[n-]1 ZINC000826312255 609535013 /nfs/dbraw/zinc/53/50/13/609535013.db2.gz ZPGBELCGNSYGPI-OAHLLOKOSA-N -1 3 387.447 3.717 20 0 GHADHM Cc1ccnc(N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1-c1nn[n-]n1 ZINC000826312255 609535015 /nfs/dbraw/zinc/53/50/15/609535015.db2.gz ZPGBELCGNSYGPI-OAHLLOKOSA-N -1 3 387.447 3.717 20 0 GHADHM Cc1ccnc(N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1-c1nnn[n-]1 ZINC000826312254 609535427 /nfs/dbraw/zinc/53/54/27/609535427.db2.gz ZPGBELCGNSYGPI-HNNXBMFYSA-N -1 3 387.447 3.717 20 0 GHADHM Cc1ccnc(N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1-c1nn[n-]n1 ZINC000826312254 609535428 /nfs/dbraw/zinc/53/54/28/609535428.db2.gz ZPGBELCGNSYGPI-HNNXBMFYSA-N -1 3 387.447 3.717 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000826278916 609541668 /nfs/dbraw/zinc/54/16/68/609541668.db2.gz YIASWEADQMRUEC-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000826278916 609541669 /nfs/dbraw/zinc/54/16/69/609541669.db2.gz YIASWEADQMRUEC-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cccc(NC2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)c1 ZINC000826299820 609558990 /nfs/dbraw/zinc/55/89/90/609558990.db2.gz WQJFRGSXKKQNSO-UHFFFAOYSA-N -1 3 383.887 3.613 20 0 GHADHM Cc1cccc(NC2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)c1 ZINC000826299820 609558991 /nfs/dbraw/zinc/55/89/91/609558991.db2.gz WQJFRGSXKKQNSO-UHFFFAOYSA-N -1 3 383.887 3.613 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264283 609602865 /nfs/dbraw/zinc/60/28/65/609602865.db2.gz IJMKHAWUQSSTNW-VQIMIIECSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264283 609602867 /nfs/dbraw/zinc/60/28/67/609602867.db2.gz IJMKHAWUQSSTNW-VQIMIIECSA-N -1 3 390.491 3.744 20 0 GHADHM C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000636433017 837397779 /nfs/dbraw/zinc/39/77/79/837397779.db2.gz KUHWRNBQIVHASW-CYBMUJFWSA-N -1 3 395.500 3.709 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)[N-]OCCC(F)(F)F ZINC000162943755 837464853 /nfs/dbraw/zinc/46/48/53/837464853.db2.gz BGVBQIICVKNISV-UHFFFAOYSA-N -1 3 383.414 3.789 20 0 GHADHM C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(F)(F)F ZINC000625284300 837492324 /nfs/dbraw/zinc/49/23/24/837492324.db2.gz GQCPMQGKQNUHJM-SSDOTTSWSA-N -1 3 392.321 3.604 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000625294680 837562725 /nfs/dbraw/zinc/56/27/25/837562725.db2.gz CPVDWRZWNKCVAP-QGZVFWFLSA-N -1 3 376.250 3.759 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1cncc(F)c1 ZINC000318254187 834588614 /nfs/dbraw/zinc/58/86/14/834588614.db2.gz ITOHSKOCQIRNJF-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CC[C@](C)(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1OCCO1 ZINC000748063005 834635832 /nfs/dbraw/zinc/63/58/32/834635832.db2.gz PMKWHQKFNRMHEV-MRXNPFEDSA-N -1 3 396.336 3.841 20 0 GHADHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000157130559 834767770 /nfs/dbraw/zinc/76/77/70/834767770.db2.gz ULRMYCGAWFRSKA-GFCCVEGCSA-N -1 3 389.308 3.522 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000144146550 834802684 /nfs/dbraw/zinc/80/26/84/834802684.db2.gz RTROFHIVIBXZHP-UHFFFAOYSA-N -1 3 377.466 3.718 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ncsc1-c1ccccc1 ZINC000511279751 834961825 /nfs/dbraw/zinc/96/18/25/834961825.db2.gz DYKIARLYBOCYGQ-UHFFFAOYSA-N -1 3 399.273 3.895 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)o1 ZINC000511290036 835033011 /nfs/dbraw/zinc/03/30/11/835033011.db2.gz POEIWJMSOTWKMV-HNNXBMFYSA-N -1 3 375.368 3.916 20 0 GHADHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000728578926 835140125 /nfs/dbraw/zinc/14/01/25/835140125.db2.gz BMLDRMHVIHLTOG-UHFFFAOYSA-N -1 3 391.386 3.900 20 0 GHADHM CCc1cccc(Cc2cnc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)s2)c1 ZINC000611969385 835198374 /nfs/dbraw/zinc/19/83/74/835198374.db2.gz LNFJAZJQCKVQRQ-UHFFFAOYSA-N -1 3 396.516 3.980 20 0 GHADHM CC(=O)N[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(Br)c1 ZINC001137701776 835319145 /nfs/dbraw/zinc/31/91/45/835319145.db2.gz LDCJQMXNVJESBG-OAHLLOKOSA-N -1 3 397.656 3.624 20 0 GHADHM CN(Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1)C(=O)OC(C)(C)C ZINC000274800187 835383904 /nfs/dbraw/zinc/38/39/04/835383904.db2.gz QTMKNZFTOZQMIZ-INIZCTEOSA-N -1 3 379.457 3.633 20 0 GHADHM CN(Cc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1)C(=O)OC(C)(C)C ZINC000274800187 835383911 /nfs/dbraw/zinc/38/39/11/835383911.db2.gz QTMKNZFTOZQMIZ-INIZCTEOSA-N -1 3 379.457 3.633 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ccc(O)cc4)n3)n[nH]2)cc1 ZINC000728600619 835419494 /nfs/dbraw/zinc/41/94/94/835419494.db2.gz NBYMKLHXPPBIDC-UHFFFAOYSA-N -1 3 377.429 3.862 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cccnc1C(F)(F)F ZINC000584071209 835547035 /nfs/dbraw/zinc/54/70/35/835547035.db2.gz TZTWCSQNFDHJGH-NSHDSACASA-N -1 3 392.399 3.755 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151596166 835578954 /nfs/dbraw/zinc/57/89/54/835578954.db2.gz JJKAHPXLZXRUIU-ZDUSSCGKSA-N -1 3 378.266 3.876 20 0 GHADHM O=C(Cc1c[nH]c2cc(F)ccc12)NCc1ccc([O-])c(Br)c1 ZINC000151601876 835588614 /nfs/dbraw/zinc/58/86/14/835588614.db2.gz RLIWFZLVZXBGJN-UHFFFAOYSA-N -1 3 377.213 3.634 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 ZINC000584127579 835667820 /nfs/dbraw/zinc/66/78/20/835667820.db2.gz HDTXNTFHUXSYPC-UHFFFAOYSA-N -1 3 391.493 3.724 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000151632318 835676861 /nfs/dbraw/zinc/67/68/61/835676861.db2.gz CXTVHYOHRFPRQS-QWRGUYRKSA-N -1 3 382.204 3.853 20 0 GHADHM CCc1nnc(C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)[nH]1 ZINC000191562973 835709691 /nfs/dbraw/zinc/70/96/91/835709691.db2.gz BDVCUSIDBNSCDI-UHFFFAOYSA-N -1 3 392.459 3.885 20 0 GHADHM O=c1nc(CN2CCOC[C@H]2c2ccco2)[n-]c2scc(-c3ccco3)c21 ZINC000375796248 835901746 /nfs/dbraw/zinc/90/17/46/835901746.db2.gz SMURKZCVCMGPPD-ZDUSSCGKSA-N -1 3 383.429 3.823 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150844418 836008742 /nfs/dbraw/zinc/00/87/42/836008742.db2.gz RLYIHUAGIIFGLV-SFHVURJKSA-N -1 3 388.489 3.558 20 0 GHADHM COc1cc(CCC(=O)[N-]OCCC(F)(F)F)ccc1OCC(F)(F)F ZINC000275061737 836083700 /nfs/dbraw/zinc/08/37/00/836083700.db2.gz KEEVRQLAAHDPSK-UHFFFAOYSA-N -1 3 389.292 3.569 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000133068250 844136596 /nfs/dbraw/zinc/13/65/96/844136596.db2.gz QOQLHKFROSGDKN-INIZCTEOSA-N -1 3 389.293 3.549 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(C)c1 ZINC000047454314 836218967 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3 390.505 3.548 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[O-] ZINC000115258424 838693704 /nfs/dbraw/zinc/69/37/04/838693704.db2.gz VZOWLFGSYBCGAI-HHHXNRCGSA-N -1 3 381.453 3.961 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2ccc(CSc3nccn3C)o2)s1 ZINC000044648034 838735570 /nfs/dbraw/zinc/73/55/70/838735570.db2.gz IQUFPRRLTXXGCQ-UHFFFAOYSA-N -1 3 377.495 3.608 20 0 GHADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000376870119 838803383 /nfs/dbraw/zinc/80/33/83/838803383.db2.gz BPABIRVFLUMPJO-UHFFFAOYSA-N -1 3 394.822 3.591 20 0 GHADHM Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000182899509 838852667 /nfs/dbraw/zinc/85/26/67/838852667.db2.gz KRFLWXSSFVMBPQ-LJQANCHMSA-N -1 3 375.428 3.596 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000380210023 838916414 /nfs/dbraw/zinc/91/64/14/838916414.db2.gz HNVXDTOWNDAABV-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM O=C(N1CCCc2c(=O)[n-]cnc21)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000893213057 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3.563 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(=O)OC)cc3)c2)n1 ZINC000377425061 839500042 /nfs/dbraw/zinc/50/00/42/839500042.db2.gz FWYQAFUZIYAWRY-UHFFFAOYSA-N -1 3 392.415 3.842 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)[C@@H]1CC1(C)C ZINC000416654272 839509314 /nfs/dbraw/zinc/50/93/14/839509314.db2.gz UUVAPWXTEAHOKK-GWCFXTLKSA-N -1 3 376.881 3.541 20 0 GHADHM CCCc1c(NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1cc(C)ccn1 ZINC000363905997 839512344 /nfs/dbraw/zinc/51/23/44/839512344.db2.gz GSJDACKETWNMFZ-UHFFFAOYSA-N -1 3 387.443 3.622 20 0 GHADHM O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1ccc([O-])c(F)c1 ZINC000155760483 839681542 /nfs/dbraw/zinc/68/15/42/839681542.db2.gz CFTNLUHAYJWQEM-UHFFFAOYSA-N -1 3 386.345 3.610 20 0 GHADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000647130377 839924176 /nfs/dbraw/zinc/92/41/76/839924176.db2.gz WOVYKHWBYCXOOO-IBGZPJMESA-N -1 3 399.553 3.575 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)cc2)n1 ZINC000432888691 844492886 /nfs/dbraw/zinc/49/28/86/844492886.db2.gz DTQOCNPXTZNZDT-ORAYPTAESA-N -1 3 395.484 3.695 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000512550810 844503573 /nfs/dbraw/zinc/50/35/73/844503573.db2.gz MTFLWTFCPLBUEC-UHFFFAOYSA-N -1 3 387.443 3.562 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000512558178 844520528 /nfs/dbraw/zinc/52/05/28/844520528.db2.gz CGUHPXPDISFMCS-UHFFFAOYSA-N -1 3 385.261 3.953 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1 ZINC000467075870 840386034 /nfs/dbraw/zinc/38/60/34/840386034.db2.gz QMSYLQIOUSAOEH-UHFFFAOYSA-N -1 3 393.505 3.938 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC001211505187 840472549 /nfs/dbraw/zinc/47/25/49/840472549.db2.gz WPLLSXXMTGITEM-LLVKDONJSA-N -1 3 395.278 3.938 20 0 GHADHM CCCCc1noc([C@H](C)[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417151069 840508680 /nfs/dbraw/zinc/50/86/80/840508680.db2.gz QSLRAXDEDSKGLX-JGTBNHKDSA-N -1 3 386.477 3.585 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cs1 ZINC000429837961 844558472 /nfs/dbraw/zinc/55/84/72/844558472.db2.gz HBVHOTFLFWPXKW-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1C(F)(F)F ZINC000026866527 840752144 /nfs/dbraw/zinc/75/21/44/840752144.db2.gz NKCWRHKJERHZEL-GFCCVEGCSA-N -1 3 391.798 3.641 20 0 GHADHM O=C(CCC(=O)c1ccccc1)Nc1cc(I)ccc1[O-] ZINC000610486399 840851221 /nfs/dbraw/zinc/85/12/21/840851221.db2.gz VMTUHDGVGWMXGP-UHFFFAOYSA-N -1 3 395.196 3.598 20 0 GHADHM O=C(Cc1ccc(Cl)cc1)Nc1cc(I)ccc1[O-] ZINC000610485786 840856343 /nfs/dbraw/zinc/85/63/43/840856343.db2.gz GAJCLGYJXCVBTG-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc2)cc(=O)[n-]1 ZINC000509906431 844582647 /nfs/dbraw/zinc/58/26/47/844582647.db2.gz YWJYSWZTYXUVIC-LBPRGKRZSA-N -1 3 388.431 3.917 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610490125 840948926 /nfs/dbraw/zinc/94/89/26/840948926.db2.gz BNHYTJCNBCTTFU-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000432189074 840997812 /nfs/dbraw/zinc/99/78/12/840997812.db2.gz AXCNFFUWWAFXSF-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM O=C([O-])c1ccnc(N2CCC(NCc3cc(Cl)sc3Cl)CC2)c1 ZINC000417570027 841005215 /nfs/dbraw/zinc/00/52/15/841005215.db2.gz RGICTSYRMHLOIV-UHFFFAOYSA-N -1 3 386.304 3.907 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000417590237 841038674 /nfs/dbraw/zinc/03/86/74/841038674.db2.gz WCGYUKJEQBOILV-RNCFNFMXSA-N -1 3 378.694 3.849 20 0 GHADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417624029 841063662 /nfs/dbraw/zinc/06/36/62/841063662.db2.gz KETSHTOUFPPDLX-NSHDSACASA-N -1 3 391.340 3.510 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)ccc1F ZINC001266702689 841088037 /nfs/dbraw/zinc/08/80/37/841088037.db2.gz NERTVQUOUQAMQR-UHFFFAOYSA-N -1 3 398.544 3.847 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000417642001 841092892 /nfs/dbraw/zinc/09/28/92/841092892.db2.gz SRPSIQNHLLKDLI-ZBEGNZNMSA-N -1 3 390.281 3.668 20 0 GHADHM CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000026978000 841129972 /nfs/dbraw/zinc/12/99/72/841129972.db2.gz PHJZEMADPWUVBP-LLVKDONJSA-N -1 3 384.860 3.808 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@@H]2CCC[C@H]21 ZINC000430575170 841206896 /nfs/dbraw/zinc/20/68/96/841206896.db2.gz UTNBYCZRAQMFFX-LKFCYVNXSA-N -1 3 395.684 3.959 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC001125994405 841209459 /nfs/dbraw/zinc/20/94/59/841209459.db2.gz ITJQVSJQJQWKJA-LLVKDONJSA-N -1 3 397.219 3.684 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(Br)c2)cc1OC ZINC000277111690 844627499 /nfs/dbraw/zinc/62/74/99/844627499.db2.gz AKOKVCSZHKGICP-OAHLLOKOSA-N -1 3 394.265 3.772 20 0 GHADHM COCc1csc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000657151446 844630677 /nfs/dbraw/zinc/63/06/77/844630677.db2.gz YIWRGVSKSMJWLQ-UHFFFAOYSA-N -1 3 380.318 3.988 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@@H](C2CC2)C1 ZINC000430598222 841359426 /nfs/dbraw/zinc/35/94/26/841359426.db2.gz RWHQOYIPUYXRRT-SNVBAGLBSA-N -1 3 395.684 3.816 20 0 GHADHM CCC(CC)CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000500083236 841397475 /nfs/dbraw/zinc/39/74/75/841397475.db2.gz PVOLGSMLRVEGJH-HXUWFJFHSA-N -1 3 388.533 3.592 20 0 GHADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000481370713 861198459 /nfs/dbraw/zinc/19/84/59/861198459.db2.gz LYZAIMVLBVUJJP-MNOVXSKESA-N -1 3 384.386 3.772 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000651794199 841587227 /nfs/dbraw/zinc/58/72/27/841587227.db2.gz JCOWNOLOCPOTOB-HWPZZCPQSA-N -1 3 392.279 3.674 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1C(F)(F)F ZINC000656635150 841623896 /nfs/dbraw/zinc/62/38/96/841623896.db2.gz QHVHFYLHCPYEIV-UHFFFAOYSA-N -1 3 387.379 3.588 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC001126080536 841691907 /nfs/dbraw/zinc/69/19/07/841691907.db2.gz RCEXJMKIJSLZNX-UHFFFAOYSA-N -1 3 391.399 3.677 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1Cl ZINC000045812062 841795592 /nfs/dbraw/zinc/79/55/92/841795592.db2.gz ISPHJMLLTXLCPJ-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOc2ccccc2C(F)(F)F)C1 ZINC000656756332 841890339 /nfs/dbraw/zinc/89/03/39/841890339.db2.gz AZAJPCXUVSXRNT-MNOVXSKESA-N -1 3 385.304 3.669 20 0 GHADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H](C)C1 ZINC001126304311 842210143 /nfs/dbraw/zinc/21/01/43/842210143.db2.gz PRGOBUIHEZDTNB-DVOMOZLQSA-N -1 3 385.501 3.884 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000625243695 861287158 /nfs/dbraw/zinc/28/71/58/861287158.db2.gz HYRYYFVHFOAPBU-ZETCQYMHSA-N -1 3 389.264 3.514 20 0 GHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000544672460 842414929 /nfs/dbraw/zinc/41/49/29/842414929.db2.gz IEJPIJCUMGNORL-SSDOTTSWSA-N -1 3 395.369 3.666 20 0 GHADHM O=c1[n-]c(CN2CCO[C@H](c3ccc(F)cc3F)C2)nc2c3ccccc3oc21 ZINC000548300857 842493565 /nfs/dbraw/zinc/49/35/65/842493565.db2.gz ZDRBGBZSMWPQIK-KRWDZBQOSA-N -1 3 397.381 3.933 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000652431517 842524709 /nfs/dbraw/zinc/52/47/09/842524709.db2.gz VHHIDLNITWDMOC-BUXKBTBVSA-N -1 3 377.387 3.597 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000471788081 842525456 /nfs/dbraw/zinc/52/54/56/842525456.db2.gz NGTFHYKSJHCDIN-UHFFFAOYSA-N -1 3 393.827 3.660 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000432299239 842582918 /nfs/dbraw/zinc/58/29/18/842582918.db2.gz AEOJEYIRMUCXPG-AWEZNQCLSA-N -1 3 391.386 3.849 20 0 GHADHM C=CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000058869695 842718067 /nfs/dbraw/zinc/71/80/67/842718067.db2.gz NGOLZFVDDCWNLB-SNVBAGLBSA-N -1 3 380.293 3.803 20 0 GHADHM O=C(N=c1ccn(Cc2ccccc2)[nH]1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548373154 842840748 /nfs/dbraw/zinc/84/07/48/842840748.db2.gz RXSCGGPFISDOJO-UHFFFAOYSA-N -1 3 397.434 3.542 20 0 GHADHM CCN(CCOc1ccccc1OC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000662208080 842885455 /nfs/dbraw/zinc/88/54/55/842885455.db2.gz OEKSHCZINDOFBS-UHFFFAOYSA-N -1 3 393.443 3.991 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000186524053 843090620 /nfs/dbraw/zinc/09/06/20/843090620.db2.gz ZQOGRGLFWHSXND-HNNXBMFYSA-N -1 3 380.213 3.977 20 0 GHADHM [O-]c1ccc(F)c(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)c1F ZINC000510661492 843148312 /nfs/dbraw/zinc/14/83/12/843148312.db2.gz AOPXSARRRMPMKK-GFCCVEGCSA-N -1 3 383.236 3.801 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3sccc3C)n2)cc1 ZINC000471876644 843170990 /nfs/dbraw/zinc/17/09/90/843170990.db2.gz YYJFFEBPHMNFOD-GFCCVEGCSA-N -1 3 377.491 3.708 20 0 GHADHM O=C(CCSc1ccccc1)N[N-]C(=O)c1ccc(F)cc1Br ZINC000064835145 843308019 /nfs/dbraw/zinc/30/80/19/843308019.db2.gz JSXCGSRMVQWWRV-UHFFFAOYSA-N -1 3 397.269 3.532 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2)n1 ZINC000159343134 843315988 /nfs/dbraw/zinc/31/59/88/843315988.db2.gz KMGXMRNJMBECRE-UHFFFAOYSA-N -1 3 387.486 3.742 20 0 GHADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1F ZINC000432642808 843344366 /nfs/dbraw/zinc/34/43/66/843344366.db2.gz NNEKHAIFOAKZMA-UHFFFAOYSA-N -1 3 386.242 3.728 20 0 GHADHM COC(=O)c1cnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC000432672808 843405897 /nfs/dbraw/zinc/40/58/97/843405897.db2.gz VABDJIQIWNZZRQ-UHFFFAOYSA-N -1 3 385.232 3.845 20 0 GHADHM O=C(Cc1ccsc1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512333224 843416657 /nfs/dbraw/zinc/41/66/57/843416657.db2.gz YYNULWXCZTUZSH-UHFFFAOYSA-N -1 3 380.242 3.643 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC(C)(C)[C@@H]3C3CC3)cs2)c1 ZINC000555623492 861421930 /nfs/dbraw/zinc/42/19/30/861421930.db2.gz YTTGZTHGSBVQLH-SFHVURJKSA-N -1 3 399.516 3.599 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC001167805282 843506635 /nfs/dbraw/zinc/50/66/35/843506635.db2.gz ZARZEBHSVMRMNF-UHFFFAOYSA-N -1 3 390.483 3.772 20 0 GHADHM O=S(=O)([N-]CC1([C@@H](O)c2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000159330296 843538414 /nfs/dbraw/zinc/53/84/14/843538414.db2.gz RNHZRIDLWVZYEV-INIZCTEOSA-N -1 3 386.300 3.786 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(OC)c1 ZINC000657109688 843559203 /nfs/dbraw/zinc/55/92/03/843559203.db2.gz WEGGLMXYTGRCQE-AWEZNQCLSA-N -1 3 390.288 3.668 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000500533776 843605642 /nfs/dbraw/zinc/60/56/42/843605642.db2.gz VCBFOCPJTUACCD-FQEVSTJZSA-N -1 3 398.484 3.684 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500612686 843733812 /nfs/dbraw/zinc/73/38/12/843733812.db2.gz VNGNDDKAMQNOLJ-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM COCCOc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432762704 843746263 /nfs/dbraw/zinc/74/62/63/843746263.db2.gz JFGBAAFIIWLRFH-UHFFFAOYSA-N -1 3 393.505 3.953 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1Cl ZINC000432779743 843806396 /nfs/dbraw/zinc/80/63/96/843806396.db2.gz IPAQABVWFIVJNY-HNNXBMFYSA-N -1 3 397.880 3.626 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000432783081 843810925 /nfs/dbraw/zinc/81/09/25/843810925.db2.gz XIORGBDLWCLUBF-UHFFFAOYSA-N -1 3 394.456 3.757 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)n2cnc3ccccc32)[nH][n-]1 ZINC000512849369 843882772 /nfs/dbraw/zinc/88/27/72/843882772.db2.gz NRMUVSJGURHDDK-GFCCVEGCSA-N -1 3 395.850 3.710 20 0 GHADHM C[C@@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Br)cc1 ZINC000433238290 843887680 /nfs/dbraw/zinc/88/76/80/843887680.db2.gz FPHLNACRTAPABV-LBPRGKRZSA-N -1 3 385.265 3.788 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)[n-]1 ZINC000433246921 843912334 /nfs/dbraw/zinc/91/23/34/843912334.db2.gz LLKAMUYKWJGMKI-UHFFFAOYSA-N -1 3 398.390 3.780 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cnccc1C(F)(F)F ZINC000481464092 861473194 /nfs/dbraw/zinc/47/31/94/861473194.db2.gz IKRKSGUBEUGSII-AULYBMBSSA-N -1 3 390.814 3.978 20 0 GHADHM COC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000610815301 844648229 /nfs/dbraw/zinc/64/82/29/844648229.db2.gz NJUCSUPNSGGSAH-UHFFFAOYSA-N -1 3 393.237 3.571 20 0 GHADHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001211531595 844764394 /nfs/dbraw/zinc/76/43/94/844764394.db2.gz XUFGUXMGFGHWGB-MNOVXSKESA-N -1 3 383.316 3.531 20 0 GHADHM COc1cc(C(=O)NCc2ccc(OCc3ccccc3)cc2)cc(OC)c1[O-] ZINC000481496478 861522833 /nfs/dbraw/zinc/52/28/33/861522833.db2.gz KYTKBEMNVKMONK-UHFFFAOYSA-N -1 3 393.439 3.918 20 0 GHADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H](O)Cc1ccccc1 ZINC000433072255 845167734 /nfs/dbraw/zinc/16/77/34/845167734.db2.gz NUDAHYKELJAJSV-HNNXBMFYSA-N -1 3 395.484 3.692 20 0 GHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000277217586 845329572 /nfs/dbraw/zinc/32/95/72/845329572.db2.gz HQKDIRVFQLAAFE-NSHDSACASA-N -1 3 394.107 3.586 20 0 GHADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000509782115 845395044 /nfs/dbraw/zinc/39/50/44/845395044.db2.gz KPHOJNSYNJKDPF-LBPRGKRZSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)sc1C ZINC000429860534 845403193 /nfs/dbraw/zinc/40/31/93/845403193.db2.gz TXZDQTAFXMNFCE-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3n[nH]c(C)c3Br)n2)s1 ZINC000067174393 845466927 /nfs/dbraw/zinc/46/69/27/845466927.db2.gz MKYHQZBFEBEZAL-UHFFFAOYSA-N -1 3 384.284 3.621 20 0 GHADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c12 ZINC000026252731 845518911 /nfs/dbraw/zinc/51/89/11/845518911.db2.gz JJOFPDFPCNHBJM-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c12 ZINC000026252731 845518919 /nfs/dbraw/zinc/51/89/19/845518919.db2.gz JJOFPDFPCNHBJM-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc1[O-] ZINC000411518440 845542806 /nfs/dbraw/zinc/54/28/06/845542806.db2.gz PHPUTQVHABDQEG-UHFFFAOYSA-N -1 3 391.471 3.700 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(c2ccc3c(c2)OCO3)CC1 ZINC000431287358 845565353 /nfs/dbraw/zinc/56/53/53/845565353.db2.gz LIZNLASIIDZKTF-UHFFFAOYSA-N -1 3 389.404 3.577 20 0 GHADHM CC(C)C[C@H](CO)N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411561368 845584089 /nfs/dbraw/zinc/58/40/89/845584089.db2.gz ZMCHWVGFTWTPOM-OAHLLOKOSA-N -1 3 389.496 3.630 20 0 GHADHM CCCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000024540630 845591691 /nfs/dbraw/zinc/59/16/91/845591691.db2.gz VWBYYNNRGRQDFU-UHFFFAOYSA-N -1 3 390.480 3.861 20 0 GHADHM Cc1noc(C)c1CCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657283667 845669867 /nfs/dbraw/zinc/66/98/67/845669867.db2.gz FSMBCARARVOFLH-UHFFFAOYSA-N -1 3 381.461 3.520 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)o1 ZINC000433960458 845671459 /nfs/dbraw/zinc/67/14/59/845671459.db2.gz OWJFFXVMHKCDHH-UHFFFAOYSA-N -1 3 384.413 3.648 20 0 GHADHM O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)NCc1ncccc1[O-] ZINC000472123938 846014039 /nfs/dbraw/zinc/01/40/39/846014039.db2.gz IVFOEFXEYFBPNV-UHFFFAOYSA-N -1 3 381.407 3.761 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(C(CC)CC)s2)nnn1Cc1ccccc1 ZINC000421452367 846230107 /nfs/dbraw/zinc/23/01/07/846230107.db2.gz MNYZJNZZQVNMSZ-UHFFFAOYSA-N -1 3 384.509 3.896 20 0 GHADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000026548537 846296413 /nfs/dbraw/zinc/29/64/13/846296413.db2.gz FEUMDAPXFBBFAY-HNNXBMFYSA-N -1 3 390.505 3.516 20 0 GHADHM Cc1scc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1C ZINC000421682294 846486002 /nfs/dbraw/zinc/48/60/02/846486002.db2.gz MODHZUTUFHWPKP-UHFFFAOYSA-N -1 3 382.205 3.560 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000548695797 846521197 /nfs/dbraw/zinc/52/11/97/846521197.db2.gz IFWIAGYCAHVPMJ-UHFFFAOYSA-N -1 3 392.452 3.751 20 0 GHADHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000161169256 846550556 /nfs/dbraw/zinc/55/05/56/846550556.db2.gz HUZDBVDBJGEVLX-SSDOTTSWSA-N -1 3 382.290 3.809 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc4ccccc43)CC2)[n-]1 ZINC000277516574 846647533 /nfs/dbraw/zinc/64/75/33/846647533.db2.gz CJKHSCKKNPMEDY-UHFFFAOYSA-N -1 3 393.447 3.546 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc4ccccc43)CC2)n[n-]1 ZINC000277516574 846647539 /nfs/dbraw/zinc/64/75/39/846647539.db2.gz CJKHSCKKNPMEDY-UHFFFAOYSA-N -1 3 393.447 3.546 20 0 GHADHM C[C@@H](NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000419607616 846673701 /nfs/dbraw/zinc/67/37/01/846673701.db2.gz UNGQFSDLGOCSRE-LLVKDONJSA-N -1 3 377.897 3.824 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419593182 846679991 /nfs/dbraw/zinc/67/99/91/846679991.db2.gz XDNYTWFIHSWJKO-LLVKDONJSA-N -1 3 393.459 3.791 20 0 GHADHM C[C@H](SCc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)NCCc1cccs1 ZINC000419611423 846698885 /nfs/dbraw/zinc/69/88/85/846698885.db2.gz ZJPZYMICSQJVTD-AWEZNQCLSA-N -1 3 399.541 3.891 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1C ZINC000582262600 846744472 /nfs/dbraw/zinc/74/44/72/846744472.db2.gz HXKLYDRTIIJPEX-UHFFFAOYSA-N -1 3 389.864 3.915 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000501283861 846783283 /nfs/dbraw/zinc/78/32/83/846783283.db2.gz MPERGWXQWHVKBE-UHFFFAOYSA-N -1 3 386.373 3.793 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503147428 846841444 /nfs/dbraw/zinc/84/14/44/846841444.db2.gz FVUNLKRBKMKRRL-UHFFFAOYSA-N -1 3 393.353 3.741 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 ZINC000501381848 846892922 /nfs/dbraw/zinc/89/29/22/846892922.db2.gz LXFGOIVDRPFBJI-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)oc3c2)on1 ZINC000611592394 846984425 /nfs/dbraw/zinc/98/44/25/846984425.db2.gz PVRURHBOSZYWIG-UHFFFAOYSA-N -1 3 381.319 3.661 20 0 GHADHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1c[n-]c2ccccc2c1=O ZINC000277565345 846997398 /nfs/dbraw/zinc/99/73/98/846997398.db2.gz NKYNXJVPHOFJTP-OFNKIYASSA-N -1 3 394.446 3.583 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCSCC1 ZINC000272502367 847093880 /nfs/dbraw/zinc/09/38/80/847093880.db2.gz IPMPMECVZBXTES-FQEVSTJZSA-N -1 3 398.528 3.513 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2C)c(C)c1 ZINC000501805243 847187550 /nfs/dbraw/zinc/18/75/50/847187550.db2.gz WIKNIUSLZUNXFX-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)c2)c1C ZINC000501907187 847315096 /nfs/dbraw/zinc/31/50/96/847315096.db2.gz ITHAEOPKXLZTGT-UHFFFAOYSA-N -1 3 386.459 3.511 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)c2ccccn2)s1 ZINC000503201892 847471248 /nfs/dbraw/zinc/47/12/48/847471248.db2.gz UCGGCQLXYWQXDZ-MRXNPFEDSA-N -1 3 393.921 3.762 20 0 GHADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000414475782 847485984 /nfs/dbraw/zinc/48/59/84/847485984.db2.gz YIOQJSRZGAKFBP-LLVKDONJSA-N -1 3 383.926 3.674 20 0 GHADHM CC(C)[C@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000502109462 847488708 /nfs/dbraw/zinc/48/87/08/847488708.db2.gz IOXZFHQFFZGCGJ-LBPRGKRZSA-N -1 3 389.809 3.716 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000502192431 847583621 /nfs/dbraw/zinc/58/36/21/847583621.db2.gz DOAPPTHCXWMNJD-SECBINFHSA-N -1 3 393.408 3.593 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503320115 847596585 /nfs/dbraw/zinc/59/65/85/847596585.db2.gz VOCYTCWJRVTFHI-KRWDZBQOSA-N -1 3 395.912 3.576 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1C ZINC000513787693 847637104 /nfs/dbraw/zinc/63/71/04/847637104.db2.gz DCMJWBOBMDFYLJ-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)[n-]1 ZINC000555773398 861820306 /nfs/dbraw/zinc/82/03/06/861820306.db2.gz UZWHACHRSZMHBY-UHFFFAOYSA-N -1 3 380.448 3.596 20 0 GHADHM CC[C@H](CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC000899800682 861839465 /nfs/dbraw/zinc/83/94/65/861839465.db2.gz YSUANALVSLOCCA-FGZHOGPDSA-N -1 3 394.515 3.506 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc4c([nH]c3=O)CCCC4)nc(=O)c2c1C ZINC000731740336 861840174 /nfs/dbraw/zinc/84/01/74/861840174.db2.gz WRUOFECXWWHVLU-SNVBAGLBSA-N -1 3 399.472 3.911 20 0 GHADHM CCCOc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000116346704 847981595 /nfs/dbraw/zinc/98/15/95/847981595.db2.gz SZBFIWOAZCSONQ-UHFFFAOYSA-N -1 3 392.459 3.500 20 0 GHADHM CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)NCc2ncccc2[O-])c1Cl ZINC000599918059 861877253 /nfs/dbraw/zinc/87/72/53/861877253.db2.gz CSLMHGVACYVKEW-UHFFFAOYSA-N -1 3 395.818 3.857 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000625424245 861877941 /nfs/dbraw/zinc/87/79/41/861877941.db2.gz SVNWJXQTQUKGCU-MRXNPFEDSA-N -1 3 385.480 3.626 20 0 GHADHM C[C@@H]1CN(c2cc(F)cc(NC(=O)c3c[n-]c4ccccc4c3=O)c2)C[C@H](C)O1 ZINC000582793038 848389570 /nfs/dbraw/zinc/38/95/70/848389570.db2.gz UACRASJFHNMFHJ-OKILXGFUSA-N -1 3 395.434 3.533 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3nnc4ccccc4c3[O-])oc21 ZINC000731866041 861938816 /nfs/dbraw/zinc/93/88/16/861938816.db2.gz PVCFEOMWJMQBDR-GFCCVEGCSA-N -1 3 377.400 3.971 20 0 GHADHM CC(C)OC(C)(C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000583006471 848859370 /nfs/dbraw/zinc/85/93/70/848859370.db2.gz JLUKNXNFNQRPKJ-UHFFFAOYSA-N -1 3 392.257 3.944 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000673842941 861971116 /nfs/dbraw/zinc/97/11/16/861971116.db2.gz METTVBDRESXDAY-GWCFXTLKSA-N -1 3 377.847 3.867 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000278130953 849316067 /nfs/dbraw/zinc/31/60/67/849316067.db2.gz MMXXPQWWTWIWSY-ZBEGNZNMSA-N -1 3 396.413 3.578 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC001211572164 849493431 /nfs/dbraw/zinc/49/34/31/849493431.db2.gz HCICIPOSDPTYRD-UHFFFAOYSA-N -1 3 386.336 3.873 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCCC2)c1)c1ccc(F)cc1F ZINC000503948607 849775445 /nfs/dbraw/zinc/77/54/45/849775445.db2.gz VCQWSPLSTNAHBD-UHFFFAOYSA-N -1 3 382.432 3.550 20 0 GHADHM CC/C(=C/C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)c1cccc(Cl)c1 ZINC001269485680 849866210 /nfs/dbraw/zinc/86/62/10/849866210.db2.gz ACVOZWIGIXQWOS-LUAWRHEFSA-N -1 3 390.823 3.673 20 0 GHADHM COc1ccc(-c2nnc([N-]C(=O)c3ncccc3C(F)(F)F)s2)cc1 ZINC000180322052 862072321 /nfs/dbraw/zinc/07/23/21/862072321.db2.gz DAOYIALUGJJEGX-UHFFFAOYSA-N -1 3 380.351 3.880 20 0 GHADHM C[C@H]1c2ccccc2OCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471842 850140106 /nfs/dbraw/zinc/14/01/06/850140106.db2.gz WXNJXCZSEJUXEV-LBPRGKRZSA-N -1 3 391.265 3.820 20 0 GHADHM CCSc1cccc(Br)c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424064780 850181520 /nfs/dbraw/zinc/18/15/20/850181520.db2.gz KPLXQRTXJYPMPM-UHFFFAOYSA-N -1 3 394.356 3.729 20 0 GHADHM Cc1nc2cc(Cl)c(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2s1 ZINC000435177726 850190628 /nfs/dbraw/zinc/19/06/28/850190628.db2.gz NOUJGAMOJNXESA-UHFFFAOYSA-N -1 3 390.778 3.717 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C(C)C)cc2)cc(=O)[n-]1 ZINC000518907543 850310523 /nfs/dbraw/zinc/31/05/23/850310523.db2.gz QPZCQQGMKNQVBX-UHFFFAOYSA-N -1 3 377.448 3.995 20 0 GHADHM C[C@@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000424251841 850314241 /nfs/dbraw/zinc/31/42/41/850314241.db2.gz CWIAUMFAKNAJKB-TZMCWYRMSA-N -1 3 387.307 3.890 20 0 GHADHM Cc1cc(C)cc([C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C(=O)[O-])c1 ZINC000908751386 850328119 /nfs/dbraw/zinc/32/81/19/850328119.db2.gz LGYZGAAVJGSVEZ-NHCUHLMSSA-N -1 3 395.503 3.565 20 0 GHADHM CC1(C)CCC[C@](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)(C(=O)[O-])C1 ZINC000908751483 850329359 /nfs/dbraw/zinc/32/93/59/850329359.db2.gz MLEAWJAZSDMRFJ-PGRDOPGGSA-N -1 3 387.524 3.546 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000908753444 850330102 /nfs/dbraw/zinc/33/01/02/850330102.db2.gz VLPAYFCMLWJVNU-NQIIRXRSSA-N -1 3 395.503 3.508 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000908758099 850335089 /nfs/dbraw/zinc/33/50/89/850335089.db2.gz YXYNWHKCVYZIHL-SFTDATJTSA-N -1 3 395.503 3.508 20 0 GHADHM COC(=O)CCSc1ncccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000487004135 850344607 /nfs/dbraw/zinc/34/46/07/850344607.db2.gz ZNYNBDKTUPDURE-UHFFFAOYSA-N -1 3 382.441 3.848 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3c(F)cc(Br)cc3F)nn2)cc1 ZINC000443884647 862125027 /nfs/dbraw/zinc/12/50/27/862125027.db2.gz YHZPZCZAOWRCOI-UHFFFAOYSA-N -1 3 393.191 3.869 20 0 GHADHM Cc1cc(C)c(CSc2nc3nncc-3c(O)[n-]2)c(OCc2ccccc2)n1 ZINC000514884095 850431400 /nfs/dbraw/zinc/43/14/00/850431400.db2.gz IOXYKRJDGFSHTK-UHFFFAOYSA-N -1 3 393.472 3.942 20 0 GHADHM C[C@H]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H]1C(=O)[O-] ZINC000424416603 850448010 /nfs/dbraw/zinc/44/80/10/850448010.db2.gz KLLSWDTXSJICEI-TVQRCGJNSA-N -1 3 378.213 3.736 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)C1 ZINC000908884048 850451699 /nfs/dbraw/zinc/45/16/99/850451699.db2.gz HLKWBGOMEWRPNS-LQWHRVPQSA-N -1 3 395.503 3.679 20 0 GHADHM COCC[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000505025638 850514856 /nfs/dbraw/zinc/51/48/56/850514856.db2.gz WVJDGTOLFGBKBJ-AWEZNQCLSA-N -1 3 384.263 3.671 20 0 GHADHM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000435474686 850553635 /nfs/dbraw/zinc/55/36/35/850553635.db2.gz XKJKTDFFWXUYTC-UHFFFAOYSA-N -1 3 391.493 3.677 20 0 GHADHM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000909099838 850571322 /nfs/dbraw/zinc/57/13/22/850571322.db2.gz SBXALFCQDVZLLM-VEGGFIAOSA-N -1 3 382.435 3.774 20 0 GHADHM COc1ccc(OCc2nc(CN[C@H](C)[C@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000424629099 850581798 /nfs/dbraw/zinc/58/17/98/850581798.db2.gz XGSFROLHMNUMCX-FZKQIMNGSA-N -1 3 378.494 3.566 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Br)c2)cc1C ZINC000487300950 850664490 /nfs/dbraw/zinc/66/44/90/850664490.db2.gz SGHBEMCSPDEPSW-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM COc1ccccc1CCN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000519146248 850691819 /nfs/dbraw/zinc/69/18/19/850691819.db2.gz IZVUVOHLRRREFD-UHFFFAOYSA-N -1 3 392.459 3.873 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000519174633 850701719 /nfs/dbraw/zinc/70/17/19/850701719.db2.gz SCLVJMNXTYZCIT-QGZVFWFLSA-N -1 3 397.493 3.884 20 0 GHADHM Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1C ZINC000909698194 850703736 /nfs/dbraw/zinc/70/37/36/850703736.db2.gz ZUPUQBYQFCDHPT-CTNGQTDRSA-N -1 3 398.478 3.597 20 0 GHADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000519165132 850710252 /nfs/dbraw/zinc/71/02/52/850710252.db2.gz IKSCJQACTZZPSN-UHFFFAOYSA-N -1 3 384.819 3.797 20 0 GHADHM COc1ccc(CCCN(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000487577615 850738166 /nfs/dbraw/zinc/73/81/66/850738166.db2.gz USZVITZQSSSVGS-UHFFFAOYSA-N -1 3 386.398 3.520 20 0 GHADHM CC(C)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000505242382 850771112 /nfs/dbraw/zinc/77/11/12/850771112.db2.gz KJEAGTDYCCYJGG-UHFFFAOYSA-N -1 3 376.453 3.640 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)o1 ZINC000440095571 850788192 /nfs/dbraw/zinc/78/81/92/850788192.db2.gz KSMOUYVXTBXEIE-UHFFFAOYSA-N -1 3 379.507 3.623 20 0 GHADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000519266008 850841967 /nfs/dbraw/zinc/84/19/67/850841967.db2.gz IYLKJCVCGMVGFH-LLVKDONJSA-N -1 3 382.279 3.882 20 0 GHADHM C[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H](C)C1 ZINC000425037626 850883184 /nfs/dbraw/zinc/88/31/84/850883184.db2.gz SPAIJKHEDCMCBD-LZJOCLMNSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000048230239 850933160 /nfs/dbraw/zinc/93/31/60/850933160.db2.gz CHIYFRQBBUIIFJ-HUUCEWRRSA-N -1 3 378.469 3.549 20 0 GHADHM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)CCc3cccc(Cl)c3)c2C)o1 ZINC000506812328 851014163 /nfs/dbraw/zinc/01/41/63/851014163.db2.gz AFGHONOSRVMVPL-UHFFFAOYSA-N -1 3 379.869 3.924 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1Cl ZINC000440306334 851024099 /nfs/dbraw/zinc/02/40/99/851024099.db2.gz VALRELQZOIQYDD-UHFFFAOYSA-N -1 3 394.880 3.813 20 0 GHADHM CN(Cc1cc(F)cc(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000434432543 851099438 /nfs/dbraw/zinc/09/94/38/851099438.db2.gz ZUUJBXBPOGRXHY-UHFFFAOYSA-N -1 3 385.208 3.775 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000513998409 851126764 /nfs/dbraw/zinc/12/67/64/851126764.db2.gz BSJLMUCQLARUHU-SFHVURJKSA-N -1 3 376.859 3.681 20 0 GHADHM O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1ncccc1[O-] ZINC000473630006 851305938 /nfs/dbraw/zinc/30/59/38/851305938.db2.gz LINMZTSIINNCBA-UHFFFAOYSA-N -1 3 381.379 3.665 20 0 GHADHM O=C(CCCSc1ccc(Br)cc1)NCc1ncccc1[O-] ZINC000473637128 851329215 /nfs/dbraw/zinc/32/92/15/851329215.db2.gz UIALGZJUWCXZNQ-UHFFFAOYSA-N -1 3 381.295 3.738 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)Oc2ccc(F)cc2)[nH][n-]1 ZINC000550063647 851335685 /nfs/dbraw/zinc/33/56/85/851335685.db2.gz MTCZNLSQUKITSR-LLVKDONJSA-N -1 3 389.814 3.706 20 0 GHADHM COCC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(C)o1 ZINC000488348937 851417561 /nfs/dbraw/zinc/41/75/61/851417561.db2.gz QEBSAJRPLCSRLE-AWEZNQCLSA-N -1 3 397.269 3.633 20 0 GHADHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000515755482 851434184 /nfs/dbraw/zinc/43/41/84/851434184.db2.gz MKPRRAFCWSNAHF-LBPRGKRZSA-N -1 3 393.361 3.506 20 0 GHADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000509988206 851516879 /nfs/dbraw/zinc/51/68/79/851516879.db2.gz WHNKIKTTXFPQPH-WDEREUQCSA-N -1 3 385.835 3.842 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000911110028 851578973 /nfs/dbraw/zinc/57/89/73/851578973.db2.gz WTIDKQDPHYORLB-APWZRJJASA-N -1 3 398.528 3.819 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430109075 851586652 /nfs/dbraw/zinc/58/66/52/851586652.db2.gz XSRBCDLZKBIDAA-LBPRGKRZSA-N -1 3 380.286 3.585 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccsc1 ZINC000911190862 851613730 /nfs/dbraw/zinc/61/37/30/851613730.db2.gz JPGCLDRGVPEERU-MRXNPFEDSA-N -1 3 380.897 3.913 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)N1CCN(CC2CCCCC2)CC1)C(=O)[O-] ZINC000911167770 851616849 /nfs/dbraw/zinc/61/68/49/851616849.db2.gz NYZVNNPTZOROIZ-MRXNPFEDSA-N -1 3 390.549 3.590 20 0 GHADHM CC1(C)C[C@@]1(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccccc1 ZINC001167973610 851640775 /nfs/dbraw/zinc/64/07/75/851640775.db2.gz UYUJNJYLYDBNNG-LJQANCHMSA-N -1 3 392.908 3.767 20 0 GHADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)cs1 ZINC000111363428 851640839 /nfs/dbraw/zinc/64/08/39/851640839.db2.gz ARAYDJDINAUAMV-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM CCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000911251941 851648819 /nfs/dbraw/zinc/64/88/19/851648819.db2.gz HJUFUYVBXSOMGF-LAUBAEHRSA-N -1 3 380.488 3.611 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Br)c1 ZINC000488670983 851685205 /nfs/dbraw/zinc/68/52/05/851685205.db2.gz CDQHLHDYOCHZKG-UHFFFAOYSA-N -1 3 385.055 3.847 20 0 GHADHM Cc1ccccc1OCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488676690 851700927 /nfs/dbraw/zinc/70/09/27/851700927.db2.gz QDHGIHRJXWBFQK-UHFFFAOYSA-N -1 3 378.266 3.939 20 0 GHADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1c(Cl)cccc1Cl ZINC000058557396 851715011 /nfs/dbraw/zinc/71/50/11/851715011.db2.gz XZFYWORTVURWRY-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000488797489 851790928 /nfs/dbraw/zinc/79/09/28/851790928.db2.gz ZFRMCUMSQQEHQT-UHFFFAOYSA-N -1 3 377.359 3.510 20 0 GHADHM O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852790 851933589 /nfs/dbraw/zinc/93/35/89/851933589.db2.gz QNRSOQDVNKPDFR-QLFBSQMISA-N -1 3 394.500 3.791 20 0 GHADHM O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852793 851933807 /nfs/dbraw/zinc/93/38/07/851933807.db2.gz QNRSOQDVNKPDFR-RBSFLKMASA-N -1 3 394.500 3.791 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000519569405 851936082 /nfs/dbraw/zinc/93/60/82/851936082.db2.gz SRLCAAREVVIRRZ-HKUYNNGSSA-N -1 3 382.464 3.579 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1C ZINC000515931547 851957708 /nfs/dbraw/zinc/95/77/08/851957708.db2.gz KGDBGBIJKOVNCC-UHFFFAOYSA-N -1 3 398.484 3.883 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2coc3ccccc23)c1 ZINC000489100413 852002662 /nfs/dbraw/zinc/00/26/62/852002662.db2.gz QSHLRWHHCLYYFA-UHFFFAOYSA-N -1 3 391.383 3.617 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000436514299 852003459 /nfs/dbraw/zinc/00/34/59/852003459.db2.gz OJFVRLQVNJBEOT-UHFFFAOYSA-N -1 3 376.250 3.880 20 0 GHADHM CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C)cc1[O-] ZINC000436519581 852009276 /nfs/dbraw/zinc/00/92/76/852009276.db2.gz YHFCPZCFBDDOGT-UHFFFAOYSA-N -1 3 395.286 3.786 20 0 GHADHM NC(=O)Cc1occc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436528907 852018093 /nfs/dbraw/zinc/01/80/93/852018093.db2.gz YRVKRQPDWCQQLJ-UHFFFAOYSA-N -1 3 393.424 3.542 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436531435 852022315 /nfs/dbraw/zinc/02/23/15/852022315.db2.gz SMFYYTZFZWGCFV-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM Cc1nc(C)c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436554011 852041877 /nfs/dbraw/zinc/04/18/77/852041877.db2.gz FWGQYLNOXMTAAS-GOSISDBHSA-N -1 3 395.484 3.965 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(OCc3ccccc3C)c2)c(=O)[n-]1 ZINC000112178227 852047377 /nfs/dbraw/zinc/04/73/77/852047377.db2.gz VDNHFJMYZWXFJS-UHFFFAOYSA-N -1 3 391.471 3.845 20 0 GHADHM Cc1cccc(N(CCC(N)=O)C(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436539841 852050490 /nfs/dbraw/zinc/05/04/90/852050490.db2.gz NAYCNBOAQSQBSP-UHFFFAOYSA-N -1 3 388.467 3.814 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c([O-])c1 ZINC000436576822 852060317 /nfs/dbraw/zinc/06/03/17/852060317.db2.gz MMBLCDKPOGSZIG-UHFFFAOYSA-N -1 3 392.455 3.969 20 0 GHADHM C[C@H](C1CCC1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436562745 852066255 /nfs/dbraw/zinc/06/62/55/852066255.db2.gz NZDACNBIZQABRZ-IERDGZPVSA-N -1 3 380.488 3.900 20 0 GHADHM COCCCOC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436566762 852069212 /nfs/dbraw/zinc/06/92/12/852069212.db2.gz YJGRHUQERLFHKU-UHFFFAOYSA-N -1 3 385.460 3.842 20 0 GHADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436581326 852090438 /nfs/dbraw/zinc/09/04/38/852090438.db2.gz ZQKDVUSFVVKEFB-UHFFFAOYSA-N -1 3 394.515 3.993 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H](CC)CN1C(C)=O ZINC000436587610 852095831 /nfs/dbraw/zinc/09/58/31/852095831.db2.gz PROCHVNLCPCLBC-NHCUHLMSSA-N -1 3 394.515 3.845 20 0 GHADHM CCOCc1nc([C@@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000436603742 852103017 /nfs/dbraw/zinc/10/30/17/852103017.db2.gz MWPLCLUQHDJWES-CYBMUJFWSA-N -1 3 383.404 3.595 20 0 GHADHM COC(=O)c1cccc(Cc2cnc(NC(=O)c3cccc(C)c3[O-])s2)c1 ZINC000436628094 852123914 /nfs/dbraw/zinc/12/39/14/852123914.db2.gz WSMMASLKCIWOPD-UHFFFAOYSA-N -1 3 382.441 3.787 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc1[O-] ZINC000436621742 852134722 /nfs/dbraw/zinc/13/47/22/852134722.db2.gz BCSXOOLWOOMXJB-UHFFFAOYSA-N -1 3 390.395 3.680 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2c([O-])cccc2O)ccc1OCc1ccncc1 ZINC000436649204 852138966 /nfs/dbraw/zinc/13/89/66/852138966.db2.gz UBVOOFDNZJLQBI-AWEZNQCLSA-N -1 3 394.427 3.571 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436662683 852159840 /nfs/dbraw/zinc/15/98/40/852159840.db2.gz JNGLVCHFCZFEHK-MSOLQXFVSA-N -1 3 377.481 3.609 20 0 GHADHM CO[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C(C)C ZINC000517624508 852164834 /nfs/dbraw/zinc/16/48/34/852164834.db2.gz VMURXWLTDDULMV-NSHDSACASA-N -1 3 378.230 3.628 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1OCc1ccncc1 ZINC000426673133 852175792 /nfs/dbraw/zinc/17/57/92/852175792.db2.gz VRHIPNADRFBWLM-JOCHJYFZSA-N -1 3 392.455 3.893 20 0 GHADHM COc1cc(-c2nc(-c3ccc(OC4CCCC4)nc3)no2)cc(OC)c1[O-] ZINC000436691274 852202304 /nfs/dbraw/zinc/20/23/04/852202304.db2.gz TXCSZSBTHHKLAX-UHFFFAOYSA-N -1 3 383.404 3.843 20 0 GHADHM Cc1cccc(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)n2C)c1 ZINC000436708455 852205215 /nfs/dbraw/zinc/20/52/15/852205215.db2.gz VAWLUSXNPKXFHT-UHFFFAOYSA-N -1 3 379.445 3.838 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCc3ccccn3)nc(=O)c2c1C ZINC000600579768 862333920 /nfs/dbraw/zinc/33/39/20/862333920.db2.gz JXPKMRFDVOBLFE-LLVKDONJSA-N -1 3 389.502 3.859 20 0 GHADHM Cn1nccc1COCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436714223 852237182 /nfs/dbraw/zinc/23/71/82/852237182.db2.gz HOQJCSOZFDTPQX-UHFFFAOYSA-N -1 3 394.456 3.558 20 0 GHADHM COc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436716274 852240635 /nfs/dbraw/zinc/24/06/35/852240635.db2.gz PJKVNOUGZHNYSJ-YJYMSZOUSA-N -1 3 392.858 3.616 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H](CC2CC2)C1 ZINC000436722458 852248211 /nfs/dbraw/zinc/24/82/11/852248211.db2.gz NPXDJKFZJWOBFB-AVRDEDQJSA-N -1 3 392.499 3.902 20 0 GHADHM CCCOc1ccc(-c2nc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000473847644 852263420 /nfs/dbraw/zinc/26/34/20/852263420.db2.gz OBTPCUMYPOQHPR-KRWDZBQOSA-N -1 3 398.488 3.848 20 0 GHADHM CCOC(=O)CC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436760693 852280958 /nfs/dbraw/zinc/28/09/58/852280958.db2.gz RTTOYGXJRYKBPP-UHFFFAOYSA-N -1 3 383.444 3.990 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OCc1cccnc1 ZINC000426701082 852284484 /nfs/dbraw/zinc/28/44/84/852284484.db2.gz XPZZTTOZRGWVTI-JOCHJYFZSA-N -1 3 392.455 3.893 20 0 GHADHM O=C(NCc1c(Cl)cccc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000517720701 852305742 /nfs/dbraw/zinc/30/57/42/852305742.db2.gz IFCDSSMDHBUBOV-INIZCTEOSA-N -1 3 393.270 3.620 20 0 GHADHM CC(C)CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000436780140 852315282 /nfs/dbraw/zinc/31/52/82/852315282.db2.gz ZLQJZGNCZBJQBG-LJQANCHMSA-N -1 3 389.540 3.711 20 0 GHADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000436782212 852317809 /nfs/dbraw/zinc/31/78/09/852317809.db2.gz HZOSOLHWSSRMKP-IBGZPJMESA-N -1 3 396.487 3.583 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c([O-])c1 ZINC000436769204 852324628 /nfs/dbraw/zinc/32/46/28/852324628.db2.gz LIJSPORAEWXACR-CQSZACIVSA-N -1 3 386.414 3.579 20 0 GHADHM COc1ccc(Br)cc1[C@@H](NCc1cc(C)ccc1C)C(=O)[O-] ZINC000426733863 852328742 /nfs/dbraw/zinc/32/87/42/852328742.db2.gz OQVCYPYGBZGRPU-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Br)c1F ZINC000912537448 852336073 /nfs/dbraw/zinc/33/60/73/852336073.db2.gz DUDHVKGBXWNSKF-UHFFFAOYSA-N -1 3 382.233 3.942 20 0 GHADHM COc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000426743727 852343260 /nfs/dbraw/zinc/34/32/60/852343260.db2.gz VEACMHBGJFPKFN-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2[O-])c1 ZINC000436794384 852352776 /nfs/dbraw/zinc/35/27/76/852352776.db2.gz VXTBUUYGRBRHCQ-AWEZNQCLSA-N -1 3 385.439 3.597 20 0 GHADHM CC(C)c1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)c([O-])c1 ZINC000436816721 852357846 /nfs/dbraw/zinc/35/78/46/852357846.db2.gz FQKXSRYDLYPBBN-UHFFFAOYSA-N -1 3 398.322 3.974 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000426756922 852363062 /nfs/dbraw/zinc/36/30/62/852363062.db2.gz ATFMAOQXUYZAJY-OAQYLSRUSA-N -1 3 379.460 3.636 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OC)c([O-])c1 ZINC000436834497 852385613 /nfs/dbraw/zinc/38/56/13/852385613.db2.gz PJJUPRCDKLYZEM-UHFFFAOYSA-N -1 3 384.476 3.831 20 0 GHADHM CCCC[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436821067 852389151 /nfs/dbraw/zinc/38/91/51/852389151.db2.gz NYYBFWGNGFXRIN-CQSZACIVSA-N -1 3 389.521 3.989 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(F)cc1 ZINC000426768223 852392615 /nfs/dbraw/zinc/39/26/15/852392615.db2.gz WJSLTIWDYIYWFT-HNNXBMFYSA-N -1 3 375.293 3.821 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000436847394 852413975 /nfs/dbraw/zinc/41/39/75/852413975.db2.gz JXPLQTULQVWVKX-HKUYNNGSSA-N -1 3 393.405 3.705 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2C)cc1Cl ZINC000516319053 852419183 /nfs/dbraw/zinc/41/91/83/852419183.db2.gz ZWSUIQRPOCYSNH-UHFFFAOYSA-N -1 3 398.887 3.960 20 0 GHADHM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1OC ZINC000426823809 852436303 /nfs/dbraw/zinc/43/63/03/852436303.db2.gz KHKWLUSSZHCJON-LJQANCHMSA-N -1 3 393.867 3.598 20 0 GHADHM Cc1cccc2cc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)sc21 ZINC000436893374 852444967 /nfs/dbraw/zinc/44/49/67/852444967.db2.gz NNNXBKVWIMIJIM-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM COc1cc(-c2nc(C3(c4ccccc4)CCOCC3)no2)cc(OC)c1[O-] ZINC000436880630 852451733 /nfs/dbraw/zinc/45/17/33/852451733.db2.gz KHDSSTJUZTXJFT-UHFFFAOYSA-N -1 3 382.416 3.556 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2ccccc2[C@H]1CO ZINC000436904198 852468853 /nfs/dbraw/zinc/46/88/53/852468853.db2.gz YBBVPTCJDVKEGO-OAQYLSRUSA-N -1 3 375.424 3.916 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436903740 852469639 /nfs/dbraw/zinc/46/96/39/852469639.db2.gz OALHRKFTGLUQKW-MAODMQOUSA-N -1 3 380.488 3.948 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cc(Br)ccc3OC)no2)c1 ZINC000436911173 852476692 /nfs/dbraw/zinc/47/66/92/852476692.db2.gz FBDCBVDUXCHAMW-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000436896807 852482723 /nfs/dbraw/zinc/48/27/23/852482723.db2.gz NZJPDOULWMLSDW-APWZRJJASA-N -1 3 393.405 3.758 20 0 GHADHM COc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)c1 ZINC000516388451 852504655 /nfs/dbraw/zinc/50/46/55/852504655.db2.gz UYRWGLMBFSZXJV-HNNXBMFYSA-N -1 3 380.322 3.865 20 0 GHADHM CC(=O)N[C@H](C)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436923303 852504785 /nfs/dbraw/zinc/50/47/85/852504785.db2.gz BLQYCMBFQQXLGC-QGZVFWFLSA-N -1 3 394.515 3.554 20 0 GHADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1NC(=O)N(C)C ZINC000436928879 852511098 /nfs/dbraw/zinc/51/10/98/852511098.db2.gz SBJITDXGTWMAMX-UHFFFAOYSA-N -1 3 383.448 3.760 20 0 GHADHM COc1ccc([O-])c(-c2nc([C@H](OC)c3ccc(Br)cc3)no2)c1 ZINC000436951185 852514430 /nfs/dbraw/zinc/51/44/30/852514430.db2.gz DZVOIXIPKGFLAJ-OAHLLOKOSA-N -1 3 391.221 3.949 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000133018174 862364945 /nfs/dbraw/zinc/36/49/45/862364945.db2.gz BVYLJMPQHUEMNO-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cccc(OC(F)(F)F)c1F ZINC000489699038 852532609 /nfs/dbraw/zinc/53/26/09/852532609.db2.gz AGYGPARYDXJCIT-UHFFFAOYSA-N -1 3 396.387 3.537 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)c1 ZINC000436961464 852533781 /nfs/dbraw/zinc/53/37/81/852533781.db2.gz UPVIOTZHVOFBJJ-UHFFFAOYSA-N -1 3 385.420 3.707 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nnc(SCc3cccs3)s2)c1 ZINC000517868926 852535082 /nfs/dbraw/zinc/53/50/82/852535082.db2.gz RGRXOXAKDVARLW-UHFFFAOYSA-N -1 3 379.488 3.858 20 0 GHADHM CCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc21 ZINC000436963529 852535471 /nfs/dbraw/zinc/53/54/71/852535471.db2.gz ZQTOLHJQQHXYFX-UHFFFAOYSA-N -1 3 380.444 3.657 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(COc2ccccc2)CC1 ZINC000489717029 852542809 /nfs/dbraw/zinc/54/28/09/852542809.db2.gz PPCGXJKXDWUOKF-UHFFFAOYSA-N -1 3 398.409 3.738 20 0 GHADHM Cc1noc(COc2ccc(NC(=O)c3ccc4c(c3[O-])CCCC4)cc2)n1 ZINC000436959615 852550768 /nfs/dbraw/zinc/55/07/68/852550768.db2.gz DOAWRXPCPGYIKL-UHFFFAOYSA-N -1 3 379.416 3.794 20 0 GHADHM O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000436973349 852555994 /nfs/dbraw/zinc/55/59/94/852555994.db2.gz RWKBMPKOZPFEPC-UHFFFAOYSA-N -1 3 385.439 3.598 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3[C@H](C)CCC[C@@H]3C)cs2)c1 ZINC000436975841 852562558 /nfs/dbraw/zinc/56/25/58/852562558.db2.gz ABIKDYWBVFSTBD-OKILXGFUSA-N -1 3 387.505 3.741 20 0 GHADHM Cc1ccc2c(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)csc2c1 ZINC000436969935 852573666 /nfs/dbraw/zinc/57/36/66/852573666.db2.gz BLGGPNQBGAVMCX-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000427091208 852717549 /nfs/dbraw/zinc/71/75/49/852717549.db2.gz CFPBGHGTENERCS-CQSZACIVSA-N -1 3 395.425 3.939 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000507272754 852740555 /nfs/dbraw/zinc/74/05/55/852740555.db2.gz MVWJFMYXUQZALO-ZFWWWQNUSA-N -1 3 382.888 3.593 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(Cc2ccccc2)no1 ZINC000427260180 852912219 /nfs/dbraw/zinc/91/22/19/852912219.db2.gz KFKCDYVFIUFVKD-OAHLLOKOSA-N -1 3 397.500 3.579 20 0 GHADHM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1csc(-c2ccccc2)n1 ZINC000437319387 852995426 /nfs/dbraw/zinc/99/54/26/852995426.db2.gz CDJRVXZAQKFPCW-UHFFFAOYSA-N -1 3 392.546 3.828 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc2cccc(Br)c21 ZINC000507553316 853020359 /nfs/dbraw/zinc/02/03/59/853020359.db2.gz UFEJLIAYTSXMQX-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc2cccc(Br)c21 ZINC000507553316 853020366 /nfs/dbraw/zinc/02/03/66/853020366.db2.gz UFEJLIAYTSXMQX-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000481867253 862428670 /nfs/dbraw/zinc/42/86/70/862428670.db2.gz LUXZCBUJILHOAY-UHFFFAOYSA-N -1 3 391.489 3.716 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)sc1Cl ZINC000490618811 853140142 /nfs/dbraw/zinc/14/01/42/853140142.db2.gz JRGANJCHBXJXFH-ZANVPECISA-N -1 3 377.940 3.752 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000913302131 853225158 /nfs/dbraw/zinc/22/51/58/853225158.db2.gz OQCBWIZHUCGZGC-DOMZBBRYSA-N -1 3 385.445 3.640 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000913302131 853225163 /nfs/dbraw/zinc/22/51/63/853225163.db2.gz OQCBWIZHUCGZGC-DOMZBBRYSA-N -1 3 385.445 3.640 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc(Cl)c1Br ZINC000490946165 853360732 /nfs/dbraw/zinc/36/07/32/853360732.db2.gz ASHXKOGHVAOGLA-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM O=C(CC[C@H]1CCCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000518456831 853367790 /nfs/dbraw/zinc/36/77/90/853367790.db2.gz BGUATVYGHWMZBH-CQSZACIVSA-N -1 3 396.260 3.688 20 0 GHADHM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000519744860 853439711 /nfs/dbraw/zinc/43/97/11/853439711.db2.gz IDMJHRMUDOLGEV-IRFCIJBXSA-N -1 3 392.499 3.697 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000518538659 853494588 /nfs/dbraw/zinc/49/45/88/853494588.db2.gz NNTSAZYSPHZBAG-UHFFFAOYSA-N -1 3 376.884 3.803 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000440702322 853542191 /nfs/dbraw/zinc/54/21/91/853542191.db2.gz DKZUAVCLYMLNBI-FNDUUJAJSA-N -1 3 383.835 3.742 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519888828 853584810 /nfs/dbraw/zinc/58/48/10/853584810.db2.gz LWTYNMAZOAVAPE-UHFFFAOYSA-N -1 3 389.814 3.807 20 0 GHADHM CCc1nnc([N-]C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)s1 ZINC000028963218 853610012 /nfs/dbraw/zinc/61/00/12/853610012.db2.gz GYXBFKHQEIHTNU-UHFFFAOYSA-N -1 3 381.383 3.866 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)c(=O)[n-]1 ZINC000481901300 862489812 /nfs/dbraw/zinc/48/98/12/862489812.db2.gz DUZODPHDDQKTMX-UHFFFAOYSA-N -1 3 391.874 3.762 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000519946765 853638371 /nfs/dbraw/zinc/63/83/71/853638371.db2.gz WMBYZBPLVPWDFT-UHFFFAOYSA-N -1 3 377.404 3.760 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891970 853738123 /nfs/dbraw/zinc/73/81/23/853738123.db2.gz WXASQJAJDSHDQJ-KBPBESRZSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891970 853738129 /nfs/dbraw/zinc/73/81/29/853738129.db2.gz WXASQJAJDSHDQJ-KBPBESRZSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1c([O-])cccc1Cl ZINC000571248248 853813831 /nfs/dbraw/zinc/81/38/31/853813831.db2.gz NOLZGNUIFMIYJN-UHFFFAOYSA-N -1 3 393.877 3.997 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1csc(-c2cccc(Cl)c2)n1 ZINC000520131844 853864703 /nfs/dbraw/zinc/86/47/03/853864703.db2.gz JJQJDJZXJMADQY-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3cccc4cccnc43)nc(=O)c2c1C ZINC000055398761 853904600 /nfs/dbraw/zinc/90/46/00/853904600.db2.gz KRIQIYYWKKAZNB-LBPRGKRZSA-N -1 3 393.468 3.997 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3nc4c(s3)CCC4)cc2)cc(=O)[n-]1 ZINC000571618842 853962453 /nfs/dbraw/zinc/96/24/53/853962453.db2.gz WWNVQUOJVJVILV-LLVKDONJSA-N -1 3 395.488 3.986 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000473897202 853982734 /nfs/dbraw/zinc/98/27/34/853982734.db2.gz UBOUOGGGISKVFC-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000473897202 853982737 /nfs/dbraw/zinc/98/27/37/853982737.db2.gz UBOUOGGGISKVFC-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OCC)cc2)cc1 ZINC000055600287 854019279 /nfs/dbraw/zinc/01/92/79/854019279.db2.gz DDNUEFPVLYSUMU-UHFFFAOYSA-N -1 3 378.450 3.845 20 0 GHADHM CC(C)c1cccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000164610300 854093930 /nfs/dbraw/zinc/09/39/30/854093930.db2.gz BVCZFLKUYRXUMH-UHFFFAOYSA-N -1 3 394.258 3.517 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000520388074 854159393 /nfs/dbraw/zinc/15/93/93/854159393.db2.gz AAQSKMJWIQXMCH-UHFFFAOYSA-N -1 3 393.921 3.688 20 0 GHADHM O=C(CCCc1ccc(Cl)c(Cl)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481929668 862537014 /nfs/dbraw/zinc/53/70/14/862537014.db2.gz DGNAKHVWZQSFGA-UHFFFAOYSA-N -1 3 381.185 3.769 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Cl)s1 ZINC000588175628 854199979 /nfs/dbraw/zinc/19/99/79/854199979.db2.gz XNIBENPBQQXNHO-WDEREUQCSA-N -1 3 392.727 3.998 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)N2CCCC2)o1 ZINC000473903518 854215145 /nfs/dbraw/zinc/21/51/45/854215145.db2.gz PDMFETJBWCFULS-CYBMUJFWSA-N -1 3 388.942 3.727 20 0 GHADHM C[C@H](c1cccnc1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112632186 854279239 /nfs/dbraw/zinc/27/92/39/854279239.db2.gz WZGHURLFBVNTFJ-LLVKDONJSA-N -1 3 386.249 3.519 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328659993 854493215 /nfs/dbraw/zinc/49/32/15/854493215.db2.gz UOJPDXQEKNUIRQ-CYBMUJFWSA-N -1 3 395.438 3.672 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000481965276 862572655 /nfs/dbraw/zinc/57/26/55/862572655.db2.gz QISMYXQDHXCAHS-HNNXBMFYSA-N -1 3 388.489 3.903 20 0 GHADHM O=c1nc(CNC2(c3ccc(Cl)cc3)CCOCC2)[n-]c2ccsc21 ZINC000572488248 854521211 /nfs/dbraw/zinc/52/12/11/854521211.db2.gz XTEARKCRDXTNHK-UHFFFAOYSA-N -1 3 375.881 3.846 20 0 GHADHM Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000068121599 854552318 /nfs/dbraw/zinc/55/23/18/854552318.db2.gz FDNFFVQFUNLJGG-IBGZPJMESA-N -1 3 392.455 3.649 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000328833818 854567679 /nfs/dbraw/zinc/56/76/79/854567679.db2.gz RVIZRNNDNGWDKH-SXLOBPIMSA-N -1 3 396.491 3.705 20 0 GHADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)c1 ZINC000330385745 854664853 /nfs/dbraw/zinc/66/48/53/854664853.db2.gz AFNGDJQNUVIAGJ-OAQYLSRUSA-N -1 3 389.446 3.947 20 0 GHADHM CC(C)CNC(=O)c1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000589596998 855077370 /nfs/dbraw/zinc/07/73/70/855077370.db2.gz FXTYELFJUPKYRK-UHFFFAOYSA-N -1 3 394.515 3.873 20 0 GHADHM CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000189575900 855124990 /nfs/dbraw/zinc/12/49/90/855124990.db2.gz ZVFSPMMSKPAOGY-FQEVSTJZSA-N -1 3 391.471 3.527 20 0 GHADHM O=S(=O)([N-]CCc1cccs1)c1cc(Br)ccc1Cl ZINC000589887265 855175978 /nfs/dbraw/zinc/17/59/78/855175978.db2.gz JMSHQNJSVYZYOC-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM Cc1noc(C)c1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000590063206 855270716 /nfs/dbraw/zinc/27/07/16/855270716.db2.gz HYRSLKXRSXEFHQ-UHFFFAOYSA-N -1 3 385.489 3.724 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cnc(-c4ccccn4)s3)[nH][n-]2)c1 ZINC000590105901 855281533 /nfs/dbraw/zinc/28/15/33/855281533.db2.gz JNDDGNWGLIUHOR-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1=CCCCC1 ZINC000106773519 855299953 /nfs/dbraw/zinc/29/99/53/855299953.db2.gz YZFXUOBNLYUBTH-UHFFFAOYSA-N -1 3 376.400 3.906 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)ccc1OC(C)C ZINC000055569554 855348351 /nfs/dbraw/zinc/34/83/51/855348351.db2.gz HTFLOZOWWSPIBC-UHFFFAOYSA-N -1 3 388.489 3.710 20 0 GHADHM C[C@@H](C1CCCCC1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482082823 862679921 /nfs/dbraw/zinc/67/99/21/862679921.db2.gz YTWVIIMZEXAZOX-LBPRGKRZSA-N -1 3 379.302 3.951 20 0 GHADHM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590614264 855508498 /nfs/dbraw/zinc/50/84/98/855508498.db2.gz VVKDNSZHFODNRJ-GOEBONIOSA-N -1 3 397.541 3.937 20 0 GHADHM Cc1nc(CCCNCc2c(F)cccc2Br)sc1C(=O)[O-] ZINC000417546113 855532941 /nfs/dbraw/zinc/53/29/41/855532941.db2.gz LJSRJXFCRCQCFN-UHFFFAOYSA-N -1 3 387.274 3.774 20 0 GHADHM Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2c(C)nc(C)[n-]c2=O)s1 ZINC000056400791 855537391 /nfs/dbraw/zinc/53/73/91/855537391.db2.gz MVZCLIIRIUYASC-UHFFFAOYSA-N -1 3 395.528 3.571 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1F ZINC000029009102 855555948 /nfs/dbraw/zinc/55/59/48/855555948.db2.gz QATVZAPKLRENPV-UHFFFAOYSA-N -1 3 384.432 3.696 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC)nc2)c1 ZINC000542740487 855594514 /nfs/dbraw/zinc/59/45/14/855594514.db2.gz XEFBHZWWDIXQPU-UHFFFAOYSA-N -1 3 397.884 3.673 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000181002719 862712437 /nfs/dbraw/zinc/71/24/37/862712437.db2.gz CSCLSHXVUGGECV-UHFFFAOYSA-N -1 3 380.187 3.913 20 0 GHADHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000614605841 855742903 /nfs/dbraw/zinc/74/29/03/855742903.db2.gz OECQFLPWADAZEO-UHFFFAOYSA-N -1 3 385.744 3.657 20 0 GHADHM O=C([O-])CC[C@H]1CCCC[C@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417633445 855764221 /nfs/dbraw/zinc/76/42/21/855764221.db2.gz UILVIEYHHPUCQS-SJKOYZFVSA-N -1 3 380.851 3.573 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482114722 862718277 /nfs/dbraw/zinc/71/82/77/862718277.db2.gz QLXCQVAYXSZWKE-LLVKDONJSA-N -1 3 385.331 3.514 20 0 GHADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000108247522 855777868 /nfs/dbraw/zinc/77/78/68/855777868.db2.gz KSXNRSXGVJAGTG-UHFFFAOYSA-N -1 3 392.488 3.658 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN([C@@H](C)c4nccs4)CC3)c2c1 ZINC000573123411 855853087 /nfs/dbraw/zinc/85/30/87/855853087.db2.gz FEPSCWMDFYZLBA-HNNXBMFYSA-N -1 3 396.516 3.890 20 0 GHADHM O=C(OCCCCC(F)(F)F)c1ccc(I)c([O-])c1 ZINC000760815225 855854767 /nfs/dbraw/zinc/85/47/67/855854767.db2.gz CNEYPJCIACEJCU-UHFFFAOYSA-N -1 3 388.123 3.886 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108430618 855872973 /nfs/dbraw/zinc/87/29/73/855872973.db2.gz KWSFXSCQCPRMCC-IBGZPJMESA-N -1 3 388.427 3.811 20 0 GHADHM Cc1oc(-c2ccsc2)nc1C[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000591345179 855899943 /nfs/dbraw/zinc/89/99/43/855899943.db2.gz CCFGDTIKPXUIOG-VWLOTQADSA-N -1 3 375.475 3.533 20 0 GHADHM O=C(NCC1CCCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000573204297 855927969 /nfs/dbraw/zinc/92/79/69/855927969.db2.gz AEVSIMHZWOAJDF-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC(C1CC1)C1CC1 ZINC000542807198 855938828 /nfs/dbraw/zinc/93/88/28/855938828.db2.gz WVKKAGXMCYMGLY-QFIPXVFZSA-N -1 3 392.499 3.806 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)c1F ZINC000181070995 862738868 /nfs/dbraw/zinc/73/88/68/862738868.db2.gz DHJBQYDFWYTPCT-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000591368042 855953084 /nfs/dbraw/zinc/95/30/84/855953084.db2.gz NKOLDZPXFFQMLR-UHFFFAOYSA-N -1 3 392.424 3.628 20 0 GHADHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000591396110 855980692 /nfs/dbraw/zinc/98/06/92/855980692.db2.gz FYELWUBNSCEVFF-UHFFFAOYSA-N -1 3 391.386 3.900 20 0 GHADHM CCCN(CCC)C(=O)CCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000591450107 855994543 /nfs/dbraw/zinc/99/45/43/855994543.db2.gz MAAJQVOMGLSHNJ-UHFFFAOYSA-N -1 3 376.888 3.519 20 0 GHADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000242940453 856015958 /nfs/dbraw/zinc/01/59/58/856015958.db2.gz HBDQJVJJPIXONL-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM CCCN(CCC)C(=O)CCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485135792 856147467 /nfs/dbraw/zinc/14/74/67/856147467.db2.gz SFAYKRYAXVBPJI-UHFFFAOYSA-N -1 3 397.479 3.975 20 0 GHADHM Cc1cnc(C(C)(C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000674315925 856148529 /nfs/dbraw/zinc/14/85/29/856148529.db2.gz QRAQWGFQLCJVJZ-UHFFFAOYSA-N -1 3 383.477 3.979 20 0 GHADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000674324668 856166602 /nfs/dbraw/zinc/16/66/02/856166602.db2.gz OPVFJMYNFUPNDO-OAHLLOKOSA-N -1 3 388.895 3.526 20 0 GHADHM O=C(NCCC1CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760850174 856183573 /nfs/dbraw/zinc/18/35/73/856183573.db2.gz KSBMVRKFYKWIMB-UHFFFAOYSA-N -1 3 383.673 3.864 20 0 GHADHM O=C(CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)Nc1ccccc1Oc1ccccc1 ZINC000280948240 862771282 /nfs/dbraw/zinc/77/12/82/862771282.db2.gz HGNKIVVZDYLWBJ-AOMKIAJQSA-N -1 3 380.444 3.604 20 0 GHADHM Cc1cc2cc(CNC(=O)N=c3cc4ccc(Br)cn4[n-]3)ccc2[nH]1 ZINC000482170629 862771377 /nfs/dbraw/zinc/77/13/77/862771377.db2.gz RKGIKKDEMHUEFB-UHFFFAOYSA-N -1 3 398.264 3.630 20 0 GHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cn2ccnc2s1 ZINC000190832927 856273623 /nfs/dbraw/zinc/27/36/23/856273623.db2.gz QZYKTVABVYTJSA-UHFFFAOYSA-N -1 3 379.517 3.853 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Cl ZINC000041800011 856326548 /nfs/dbraw/zinc/32/65/48/856326548.db2.gz NPHJRFVDDWRSRA-FQEVSTJZSA-N -1 3 397.906 3.994 20 0 GHADHM O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000041816322 856328667 /nfs/dbraw/zinc/32/86/67/856328667.db2.gz RPQUGCCZQYYEFH-HXUWFJFHSA-N -1 3 395.890 3.748 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)c(Cl)c1 ZINC000760895417 856331972 /nfs/dbraw/zinc/33/19/72/856331972.db2.gz ZCQKHIOIXLWKJU-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nc(C)cs1 ZINC000482189164 862787897 /nfs/dbraw/zinc/78/78/97/862787897.db2.gz VNMHTNIYENJGOG-LBPRGKRZSA-N -1 3 394.298 3.556 20 0 GHADHM CCc1cc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1F ZINC000672112663 856384940 /nfs/dbraw/zinc/38/49/40/856384940.db2.gz VEKZABTZBUNQSQ-UHFFFAOYSA-N -1 3 394.468 3.556 20 0 GHADHM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472025773 856465260 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O=C([O-])c1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000574917253 858400766 /nfs/dbraw/zinc/40/07/66/858400766.db2.gz ZHNHBOHNJXXBFZ-IBGZPJMESA-N -1 3 392.377 3.778 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1OCC(F)F)c1cccc(Cl)c1Cl ZINC000443222346 858484520 /nfs/dbraw/zinc/48/45/20/858484520.db2.gz HYZXUPZVUHYGIY-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM Cc1ccnc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000683006818 858484608 /nfs/dbraw/zinc/48/46/08/858484608.db2.gz UALIMODKHNXZGM-UHFFFAOYSA-N -1 3 381.501 3.823 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1 ZINC000115313004 858488122 /nfs/dbraw/zinc/48/81/22/858488122.db2.gz YXXJXYPDEYAQJY-VWLOTQADSA-N -1 3 395.546 3.935 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(NC(C)=O)c2C)[nH][n-]1 ZINC000443353485 858593680 /nfs/dbraw/zinc/59/36/80/858593680.db2.gz BZLWOUBGWCZUKY-UHFFFAOYSA-N -1 3 398.850 3.680 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)o1 ZINC000451956270 858729563 /nfs/dbraw/zinc/72/95/63/858729563.db2.gz GTTHITQCYWLUPK-UHFFFAOYSA-N -1 3 393.690 3.522 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000482658484 858740891 /nfs/dbraw/zinc/74/08/91/858740891.db2.gz IYXHZKOSDXZMIM-LBPRGKRZSA-N -1 3 375.782 3.673 20 0 GHADHM CC1CCC(N2C[C@H](C(=O)Nc3ccc(Br)cc3[O-])CC2=O)CC1 ZINC000596083499 858776840 /nfs/dbraw/zinc/77/68/40/858776840.db2.gz JELGIXXARHBOGH-MBHSVXNSSA-N -1 3 395.297 3.520 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000183636867 858786106 /nfs/dbraw/zinc/78/61/06/858786106.db2.gz JCFSVQBAUIZFQM-MHZLTWQESA-N -1 3 382.489 3.792 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)c(=O)[n-]1 ZINC000482728003 858793163 /nfs/dbraw/zinc/79/31/63/858793163.db2.gz KSLRFJBVHNJRPX-UHFFFAOYSA-N -1 3 399.882 3.943 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCc3ccccc3OC)[n-]c(=O)c12 ZINC000443473487 858800528 /nfs/dbraw/zinc/80/05/28/858800528.db2.gz FURKUBOOLIRTRJ-UHFFFAOYSA-N -1 3 399.472 3.559 20 0 GHADHM CCOC1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509263174 858869492 /nfs/dbraw/zinc/86/94/92/858869492.db2.gz KDQKRXIGJINDJT-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CC(C)OC[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000761170867 858874347 /nfs/dbraw/zinc/87/43/47/858874347.db2.gz ZJYSJTVPPINZBS-GOSISDBHSA-N -1 3 395.452 3.520 20 0 GHADHM O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ncccc1[O-] ZINC000184347926 858917584 /nfs/dbraw/zinc/91/75/84/858917584.db2.gz YGBHJSKUIPFRMF-UHFFFAOYSA-N -1 3 375.837 3.657 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cnc2ccsc2c1 ZINC000466277021 858959659 /nfs/dbraw/zinc/95/96/59/858959659.db2.gz YFQDKIMGJDNBLH-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654432236 859051301 /nfs/dbraw/zinc/05/13/01/859051301.db2.gz LZMSCDSYWXWSMS-UHFFFAOYSA-N -1 3 392.381 3.931 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@](C)(OC)c2ccccc2)[nH][n-]1 ZINC000483003814 859064767 /nfs/dbraw/zinc/06/47/67/859064767.db2.gz JSLNGKIFJLRQRN-HXUWFJFHSA-N -1 3 385.851 3.661 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC(c1cccs1)c1cccs1 ZINC000483109443 859152579 /nfs/dbraw/zinc/15/25/79/859152579.db2.gz WMGDXDSJTXXNTQ-UHFFFAOYSA-N -1 3 387.412 3.535 20 0 GHADHM Cc1ccc(CCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(Br)c1 ZINC000483115788 859160574 /nfs/dbraw/zinc/16/05/74/859160574.db2.gz DQTCNHKGBSOOTJ-UHFFFAOYSA-N -1 3 385.265 3.536 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](CC1CCCC1)c1ccccc1 ZINC000483181916 859194507 /nfs/dbraw/zinc/19/45/07/859194507.db2.gz HAOHVWVSYPLRNN-CQSZACIVSA-N -1 3 381.402 3.944 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(Cc2ccccc2)CCCCC1 ZINC000483295663 859276993 /nfs/dbraw/zinc/27/69/93/859276993.db2.gz LDVLLMYKHIGXML-UHFFFAOYSA-N -1 3 395.429 3.816 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc(F)c2ncccc12 ZINC000509396950 859309195 /nfs/dbraw/zinc/30/91/95/859309195.db2.gz OYQXWAJLQRYZGH-UHFFFAOYSA-N -1 3 386.326 3.915 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000923468497 859344826 /nfs/dbraw/zinc/34/48/26/859344826.db2.gz AKUSYPQGMWQHNW-HXUWFJFHSA-N -1 3 388.489 3.674 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483559006 859450114 /nfs/dbraw/zinc/45/01/14/859450114.db2.gz MFDHLKIJSQOSQG-CQSZACIVSA-N -1 3 383.418 3.685 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)cc1F ZINC000543688398 859453014 /nfs/dbraw/zinc/45/30/14/859453014.db2.gz XPQQRKQFIMHRBG-YOEHRIQHSA-N -1 3 385.407 3.611 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483552190 859456777 /nfs/dbraw/zinc/45/67/77/859456777.db2.gz ANJWSVYAHVPGGB-KGLIPLIRSA-N -1 3 381.402 3.610 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1CCc1ccccc1 ZINC000483570981 859467445 /nfs/dbraw/zinc/46/74/45/859467445.db2.gz YUKIFMIDWOWOLA-AWEZNQCLSA-N -1 3 381.402 3.520 20 0 GHADHM COCc1ccc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)OC)o1 ZINC000601705924 859478747 /nfs/dbraw/zinc/47/87/47/859478747.db2.gz OEMASCUHVNPGNS-UHFFFAOYSA-N -1 3 383.853 3.987 20 0 GHADHM [O-]c1ccc(CNC(=S)N[C@@H]2CCOc3ccccc32)cc1Br ZINC000764526871 859485108 /nfs/dbraw/zinc/48/51/08/859485108.db2.gz ZQYIZQLAXXFKFY-CQSZACIVSA-N -1 3 393.306 3.643 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)c(F)c1 ZINC000483609843 859485652 /nfs/dbraw/zinc/48/56/52/859485652.db2.gz WQKTZMLHDQTCGF-OAHLLOKOSA-N -1 3 386.206 3.872 20 0 GHADHM CC(C)(C)c1ccc(Cl)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000670058462 881437778 /nfs/dbraw/zinc/43/77/78/881437778.db2.gz RCZNTSYDTZNORS-UHFFFAOYSA-N -1 3 389.883 3.895 20 0 GHADHM CSc1ccc(Cl)c(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000673504950 859612670 /nfs/dbraw/zinc/61/26/70/859612670.db2.gz UNDOGMPWUGNNPF-WDEREUQCSA-N -1 3 393.896 3.556 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000466462144 859625187 /nfs/dbraw/zinc/62/51/87/859625187.db2.gz CVPPZEYIPJZWFR-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2OC)c2ccco2)cc1 ZINC001212184438 859632096 /nfs/dbraw/zinc/63/20/96/859632096.db2.gz IKJXTMQCJZJXGU-GOSISDBHSA-N -1 3 391.420 3.504 20 0 GHADHM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@@H](C)CO1 ZINC000895544034 859642485 /nfs/dbraw/zinc/64/24/85/859642485.db2.gz ZZGBVGDBDMKXDD-RBZFPXEDSA-N -1 3 398.409 3.717 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000597652412 859721414 /nfs/dbraw/zinc/72/14/14/859721414.db2.gz BGSUUSRJHIWGMV-UHFFFAOYSA-N -1 3 385.416 3.568 20 0 GHADHM CCNC(=O)c1cc([N-]C(=O)c2c(C)noc2C(F)(F)F)nc2ccccc21 ZINC000765228813 859855520 /nfs/dbraw/zinc/85/55/20/859855520.db2.gz PUHAGCODAXVHPY-UHFFFAOYSA-N -1 3 392.337 3.552 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070710047 859923273 /nfs/dbraw/zinc/92/32/73/859923273.db2.gz QXMSSZPPYORMRR-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070710047 859923280 /nfs/dbraw/zinc/92/32/80/859923280.db2.gz QXMSSZPPYORMRR-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM CC(C)(C)CCS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000163601918 859964307 /nfs/dbraw/zinc/96/43/07/859964307.db2.gz AYUUCSDEMGDIRT-HNNXBMFYSA-N -1 3 399.557 3.826 20 0 GHADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cncs1 ZINC000484367150 859974423 /nfs/dbraw/zinc/97/44/23/859974423.db2.gz JWFQHDMNVLTRHZ-CYBMUJFWSA-N -1 3 391.493 3.934 20 0 GHADHM C[C@@H](NC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000598014256 859992289 /nfs/dbraw/zinc/99/22/89/859992289.db2.gz RXAGYURHOBLACF-GFCCVEGCSA-N -1 3 386.439 3.512 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)c(F)c1F ZINC000624899134 860033742 /nfs/dbraw/zinc/03/37/42/860033742.db2.gz NUSMNTMXPKSKQM-BEFAXECRSA-N -1 3 381.444 3.719 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](CCCC(C)C)C(=O)[O-] ZINC000904036867 860054819 /nfs/dbraw/zinc/05/48/19/860054819.db2.gz RWRNGHFPELAEPT-OAHLLOKOSA-N -1 3 375.918 3.503 20 0 GHADHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000727362248 860056183 /nfs/dbraw/zinc/05/61/83/860056183.db2.gz OMZWVCZQVZRWCB-BQYQJAHWSA-N -1 3 396.310 3.949 20 0 GHADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000904070775 860095366 /nfs/dbraw/zinc/09/53/66/860095366.db2.gz ZOWVMKQGMLWTHH-JLTOFOAXSA-N -1 3 391.899 3.761 20 0 GHADHM COc1ccccc1-c1csc(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000097106683 860128129 /nfs/dbraw/zinc/12/81/29/860128129.db2.gz RGWRLSBTAPFOGN-UHFFFAOYSA-N -1 3 377.425 3.913 20 0 GHADHM CC(C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)c(C(C)C)c1 ZINC000727538350 860128446 /nfs/dbraw/zinc/12/84/46/860128446.db2.gz FKQQTKJHDNPATO-UHFFFAOYSA-N -1 3 397.471 3.795 20 0 GHADHM COc1cccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c1[O-] ZINC000598209626 860131919 /nfs/dbraw/zinc/13/19/19/860131919.db2.gz LUBNXNLTRWURBV-HNNXBMFYSA-N -1 3 383.444 3.877 20 0 GHADHM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000526908494 860162390 /nfs/dbraw/zinc/16/23/90/860162390.db2.gz ZYDVRVZOUVGONW-UHFFFAOYSA-N -1 3 378.428 3.655 20 0 GHADHM COc1cccc(N2CC[C@@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)c1 ZINC000527449346 860179425 /nfs/dbraw/zinc/17/94/25/860179425.db2.gz GCSWFVXEMITOCL-INIZCTEOSA-N -1 3 376.456 3.810 20 0 GHADHM O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc([O-])c2ccccc2c1 ZINC000527461016 860180238 /nfs/dbraw/zinc/18/02/38/860180238.db2.gz JCZPENRJTQESRZ-KRWDZBQOSA-N -1 3 386.245 3.771 20 0 GHADHM CC(C)C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)Nc1nccs1 ZINC000527461060 860180406 /nfs/dbraw/zinc/18/04/06/860180406.db2.gz SWGNLYJUBLVAOL-INIZCTEOSA-N -1 3 383.473 3.785 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCN(CC(F)(F)F)CC1 ZINC000527469089 860181456 /nfs/dbraw/zinc/18/14/56/860181456.db2.gz IDDDLKNWAHYUKN-CYBMUJFWSA-N -1 3 380.410 3.938 20 0 GHADHM CC[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1cccc(C)c1 ZINC000904209280 860211189 /nfs/dbraw/zinc/21/11/89/860211189.db2.gz HSOQLUUKZVOCEY-SFHVURJKSA-N -1 3 386.492 3.836 20 0 GHADHM CCOCCCNC(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471781463 860219388 /nfs/dbraw/zinc/21/93/88/860219388.db2.gz PWXINPOXDXHFTM-UHFFFAOYSA-N -1 3 392.455 3.954 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN(CCc3cccc(F)c3)C3CC3)o2)CC1 ZINC000904193184 860219771 /nfs/dbraw/zinc/21/97/71/860219771.db2.gz CAYXFMNSNPHLSZ-UHFFFAOYSA-N -1 3 386.467 3.927 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCC[C@H](C(F)(F)F)O3)nc2)n1 ZINC000896033577 860275078 /nfs/dbraw/zinc/27/50/78/860275078.db2.gz LFKQLKYNLUNAKR-ZIAGYGMSSA-N -1 3 382.386 3.719 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc(OC)c1OCC(F)F ZINC000904264076 860282334 /nfs/dbraw/zinc/28/23/34/860282334.db2.gz DIVGLHNGURJRST-SFHVURJKSA-N -1 3 395.402 3.572 20 0 GHADHM O=C(/C=C\c1cccc(OC2CCCC2)c1)OCC(=O)[N-]C(=O)c1cccs1 ZINC000727886833 860302888 /nfs/dbraw/zinc/30/28/88/860302888.db2.gz ORSUYYMSYFCXHI-KHPPLWFESA-N -1 3 399.468 3.583 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(C)cc1 ZINC000428916041 860340456 /nfs/dbraw/zinc/34/04/56/860340456.db2.gz DNPSHCKSVPCFJQ-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(C)cc1 ZINC000428916041 860340462 /nfs/dbraw/zinc/34/04/62/860340462.db2.gz DNPSHCKSVPCFJQ-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000436578129 860373508 /nfs/dbraw/zinc/37/35/08/860373508.db2.gz QAGLGWSMIMLCLJ-INIZCTEOSA-N -1 3 381.428 3.779 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728081594 860379424 /nfs/dbraw/zinc/37/94/24/860379424.db2.gz DGGWZLCVEKKXFD-QGZVFWFLSA-N -1 3 392.377 3.505 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000115989548 860393625 /nfs/dbraw/zinc/39/36/25/860393625.db2.gz RWAJSFXWXYBVPC-PXNSSMCTSA-N -1 3 394.515 3.869 20 0 GHADHM O=c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)nc(C2CC2)[n-]1 ZINC000904503342 860479477 /nfs/dbraw/zinc/47/94/77/860479477.db2.gz OFEGDYRYQNVAHH-UHFFFAOYSA-N -1 3 387.399 3.751 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2csc3ccccc32)c([O-])c1 ZINC000730034681 860491965 /nfs/dbraw/zinc/49/19/65/860491965.db2.gz AGVBYHGNSVBPBB-AWEZNQCLSA-N -1 3 382.485 3.913 20 0 GHADHM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896423913 860741592 /nfs/dbraw/zinc/74/15/92/860741592.db2.gz VVDAYJSKNHVPJP-CQSZACIVSA-N -1 3 397.425 3.677 20 0 GHADHM O=C(OCc1cccc(C(=O)NCc2ccco2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000061142310 860798771 /nfs/dbraw/zinc/79/87/71/860798771.db2.gz IPIHYRCMEMMPIY-UHFFFAOYSA-N -1 3 391.383 3.550 20 0 GHADHM O=C(OCc1cccc(C(=O)NCc2ccco2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000061142310 860798774 /nfs/dbraw/zinc/79/87/74/860798774.db2.gz IPIHYRCMEMMPIY-UHFFFAOYSA-N -1 3 391.383 3.550 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000041573380 860835034 /nfs/dbraw/zinc/83/50/34/860835034.db2.gz WRNHOHBSKFDDCF-UHFFFAOYSA-N -1 3 381.342 3.569 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CC3CCC(c4ccccc4)CC3)CC2)n1 ZINC000899500654 860928234 /nfs/dbraw/zinc/92/82/34/860928234.db2.gz MPAJBVQVZDIBKN-UHFFFAOYSA-N -1 3 394.519 3.503 20 0 GHADHM CC(C)CCO[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628340 860988506 /nfs/dbraw/zinc/98/85/06/860988506.db2.gz JYXQZSLFTCWOMT-CQSZACIVSA-N -1 3 396.915 3.674 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2C=CCCC2)CC1 ZINC000176820454 861051477 /nfs/dbraw/zinc/05/14/77/861051477.db2.gz WTDSQVCBGVNYHD-OAHLLOKOSA-N -1 3 377.872 3.514 20 0 GHADHM O=C(OCc1noc(-c2ccsc2)n1)c1cccc(Br)c1[O-] ZINC000730364332 861073918 /nfs/dbraw/zinc/07/39/18/861073918.db2.gz JWYWTHDYMRWONI-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)Nc1ccccc1Cl ZINC000730365772 861076517 /nfs/dbraw/zinc/07/65/17/861076517.db2.gz RBLALSOHHXJAPQ-VIFPVBQESA-N -1 3 398.640 3.992 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)coc21 ZINC000474852423 861155103 /nfs/dbraw/zinc/15/51/03/861155103.db2.gz BTNDCLHVDULNPU-UHFFFAOYSA-N -1 3 397.232 3.963 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000247983294 863254501 /nfs/dbraw/zinc/25/45/01/863254501.db2.gz HWNFGIHUPGEDFA-IPELMVKDSA-N -1 3 382.435 3.943 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000230406261 863407833 /nfs/dbraw/zinc/40/78/33/863407833.db2.gz BIMHDGBUNGPEPM-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2cc(Br)ccc2C1 ZINC000189180909 881669479 /nfs/dbraw/zinc/66/94/79/881669479.db2.gz LNQRSNRSBCLGDL-UHFFFAOYSA-N -1 3 379.229 3.562 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000120576784 881674882 /nfs/dbraw/zinc/67/48/82/881674882.db2.gz ABFPYTYNNVUIAR-LSDHHAIUSA-N -1 3 387.505 3.880 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)ccc1F ZINC000444194507 863640528 /nfs/dbraw/zinc/64/05/28/863640528.db2.gz JTGSUHPFKCFVIH-HOTGVXAUSA-N -1 3 392.496 3.544 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cc2c([nH]c1=O)CCCCC2 ZINC000606531643 863689856 /nfs/dbraw/zinc/68/98/56/863689856.db2.gz MGJGPCHWXGRRFO-UHFFFAOYSA-N -1 3 382.851 3.774 20 0 GHADHM CCCc1c(C(=O)NCc2ccc([O-])c(F)c2)nnn1-c1cccc(Cl)c1 ZINC000606536923 863695424 /nfs/dbraw/zinc/69/54/24/863695424.db2.gz CMJOISSWRWWTKZ-UHFFFAOYSA-N -1 3 388.830 3.648 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000606753172 863819042 /nfs/dbraw/zinc/81/90/42/863819042.db2.gz UAOVIXNYMSTFEC-UHFFFAOYSA-N -1 3 396.965 3.998 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)ccc2n1 ZINC000606753827 863820778 /nfs/dbraw/zinc/82/07/78/863820778.db2.gz NLGAJWVZBYVVHB-UHFFFAOYSA-N -1 3 387.795 3.698 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1ccc(F)cc1C(F)(F)F ZINC000103152409 863895029 /nfs/dbraw/zinc/89/50/29/863895029.db2.gz IWWZVFQTDPOVRN-UHFFFAOYSA-N -1 3 390.383 3.933 20 0 GHADHM C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@@H](c1ccccc1)N(C)C ZINC000480044708 863916352 /nfs/dbraw/zinc/91/63/52/863916352.db2.gz JYEOFKIVVJPGEQ-DOMZBBRYSA-N -1 3 387.534 3.501 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000896934155 864034037 /nfs/dbraw/zinc/03/40/37/864034037.db2.gz LLVVHGXPOKVVMD-LLVKDONJSA-N -1 3 389.406 3.850 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480096702 864056601 /nfs/dbraw/zinc/05/66/01/864056601.db2.gz RFPXQKYVPKGEMQ-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480096702 864056619 /nfs/dbraw/zinc/05/66/19/864056619.db2.gz RFPXQKYVPKGEMQ-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000120720613 881741378 /nfs/dbraw/zinc/74/13/78/881741378.db2.gz OPQJUHMVICHRAU-INIZCTEOSA-N -1 3 389.381 3.942 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000120720613 881741392 /nfs/dbraw/zinc/74/13/92/881741392.db2.gz OPQJUHMVICHRAU-INIZCTEOSA-N -1 3 389.381 3.942 20 0 GHADHM O=C(CC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1)NC1CCCC1 ZINC000621721593 864379297 /nfs/dbraw/zinc/37/92/97/864379297.db2.gz UVAUUYCXPAQMII-UHFFFAOYSA-N -1 3 398.425 3.712 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640294847 881766004 /nfs/dbraw/zinc/76/60/04/881766004.db2.gz LBWVLZOODRHWJX-CYBMUJFWSA-N -1 3 387.793 3.593 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000554527480 864483514 /nfs/dbraw/zinc/48/35/14/864483514.db2.gz QALFLELXSBPKLU-UHFFFAOYSA-N -1 3 389.440 3.948 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC ZINC000120835379 881780025 /nfs/dbraw/zinc/78/00/25/881780025.db2.gz VDRAEYCYBGPCHH-UHFFFAOYSA-N -1 3 383.452 3.728 20 0 GHADHM Cc1ccc(Cl)cc1N(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000554624915 864631619 /nfs/dbraw/zinc/63/16/19/864631619.db2.gz RLSXQSVUMFHEGE-UHFFFAOYSA-N -1 3 382.851 3.720 20 0 GHADHM COc1cc(C(=O)NCc2cccc(OCc3ccccc3)c2)cc(OC)c1[O-] ZINC000480432391 864653297 /nfs/dbraw/zinc/65/32/97/864653297.db2.gz KVCUJNCNEDFYPW-UHFFFAOYSA-N -1 3 393.439 3.918 20 0 GHADHM Cc1nc2cc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)ccc2n1[C@@H](C)CO ZINC000622094345 864770610 /nfs/dbraw/zinc/77/06/10/864770610.db2.gz JDGWZRJQZVRXPB-JTQLQIEISA-N -1 3 393.365 3.875 20 0 GHADHM O=C(Nc1ccc2cc(Br)ccc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000763712633 864771895 /nfs/dbraw/zinc/77/18/95/864771895.db2.gz HSDMXBPKWCKHOI-UHFFFAOYSA-N -1 3 395.212 3.738 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156228325 864785237 /nfs/dbraw/zinc/78/52/37/864785237.db2.gz FXTKMNUSICCSMT-QWRGUYRKSA-N -1 3 382.320 3.541 20 0 GHADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)cc1[O-] ZINC000192857626 864802006 /nfs/dbraw/zinc/80/20/06/864802006.db2.gz RIXARGCNCJJRIQ-UHFFFAOYSA-N -1 3 396.365 3.520 20 0 GHADHM COc1nsc(C(=O)[N-]c2nc3c(s2)CCC3(C)C)c1Br ZINC001142601387 864860384 /nfs/dbraw/zinc/86/03/84/864860384.db2.gz FMIBWGWZTNMUSP-UHFFFAOYSA-N -1 3 388.312 3.847 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(Br)cc2Cl)cc1[O-] ZINC001142603306 864906880 /nfs/dbraw/zinc/90/68/80/864906880.db2.gz JPEPTWQLPMIBSO-UHFFFAOYSA-N -1 3 382.641 3.941 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000480628055 864969692 /nfs/dbraw/zinc/96/96/92/864969692.db2.gz WUERLJZIZGCTQK-VIFPVBQESA-N -1 3 378.325 3.918 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000629245867 864973084 /nfs/dbraw/zinc/97/30/84/864973084.db2.gz KFFHZWMKTSZCGQ-DGCLKSJQSA-N -1 3 376.250 3.879 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC(OCCCc2ccccc2)C1 ZINC000622411212 864981736 /nfs/dbraw/zinc/98/17/36/864981736.db2.gz DOVFVOMEZAFDFG-UHFFFAOYSA-N -1 3 379.378 3.885 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000156379579 865007751 /nfs/dbraw/zinc/00/77/51/865007751.db2.gz IPDZAFIWZPRQGQ-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccsc1 ZINC000735846712 865009474 /nfs/dbraw/zinc/00/94/74/865009474.db2.gz AHAJHKKHRQASRD-OAHLLOKOSA-N -1 3 375.519 3.991 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000735874148 865020009 /nfs/dbraw/zinc/02/00/09/865020009.db2.gz IEBDEGAVUDIDIM-IAGOWNOFSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000735874148 865020019 /nfs/dbraw/zinc/02/00/19/865020019.db2.gz IEBDEGAVUDIDIM-IAGOWNOFSA-N -1 3 397.429 3.686 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000736117987 865139737 /nfs/dbraw/zinc/13/97/37/865139737.db2.gz PPIKNKPYUGATLN-CKEIUWERSA-N -1 3 396.528 3.696 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223572 865155348 /nfs/dbraw/zinc/15/53/48/865155348.db2.gz OLNIFCCEXHWGKH-CRAIPNDOSA-N -1 3 384.896 3.537 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223572 865155350 /nfs/dbraw/zinc/15/53/50/865155350.db2.gz OLNIFCCEXHWGKH-CRAIPNDOSA-N -1 3 384.896 3.537 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@@H](C)C1 ZINC000736239744 865158978 /nfs/dbraw/zinc/15/89/78/865158978.db2.gz IOLRTGZWVRKISX-GLJUWKHASA-N -1 3 395.463 3.593 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)cc1[N-]S(C)(=O)=O ZINC000173879852 865176323 /nfs/dbraw/zinc/17/63/23/865176323.db2.gz ZVQOMVXLPPVYIH-NSHDSACASA-N -1 3 386.420 3.841 20 0 GHADHM CSCC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000736347163 865186576 /nfs/dbraw/zinc/18/65/76/865186576.db2.gz TUNHILVZRHJYPZ-JTQLQIEISA-N -1 3 376.956 3.883 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cnccc1C(F)(F)F ZINC000480730557 865186988 /nfs/dbraw/zinc/18/69/88/865186988.db2.gz VFLIUBYQDBMKDY-GXTWGEPZSA-N -1 3 388.386 3.854 20 0 GHADHM CC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736372549 865193081 /nfs/dbraw/zinc/19/30/81/865193081.db2.gz YIKCIMBFJZHABY-QGZVFWFLSA-N -1 3 380.521 3.910 20 0 GHADHM CC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736372549 865193085 /nfs/dbraw/zinc/19/30/85/865193085.db2.gz YIKCIMBFJZHABY-QGZVFWFLSA-N -1 3 380.521 3.910 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)O[C@@H](c4ccccc4)C3)nc2)n1 ZINC000301166509 865201349 /nfs/dbraw/zinc/20/13/49/865201349.db2.gz HUNBENVUBVERHT-DNVCBOLYSA-N -1 3 376.460 3.773 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)sc1Br ZINC000480744185 865213529 /nfs/dbraw/zinc/21/35/29/865213529.db2.gz XFMFMSUWYDCBKB-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)ccc1Cl ZINC000171422841 865246838 /nfs/dbraw/zinc/24/68/38/865246838.db2.gz NJITWSVNOQTDOF-RDTXWAMCSA-N -1 3 383.872 3.925 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000608359902 865257108 /nfs/dbraw/zinc/25/71/08/865257108.db2.gz WSIVWTBVIBLGNG-HOTGVXAUSA-N -1 3 395.846 3.665 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000736633816 865261821 /nfs/dbraw/zinc/26/18/21/865261821.db2.gz FNNGIFKWOYNVHP-HNNXBMFYSA-N -1 3 377.448 3.714 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000736633816 865261836 /nfs/dbraw/zinc/26/18/36/865261836.db2.gz FNNGIFKWOYNVHP-HNNXBMFYSA-N -1 3 377.448 3.714 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCCC3CC3)c2)c1 ZINC000736694876 865266559 /nfs/dbraw/zinc/26/65/59/865266559.db2.gz JPLYZGRHZXAXMD-UHFFFAOYSA-N -1 3 398.459 3.582 20 0 GHADHM COc1ccc(-n2ccc(C[N-]c3nc(-c4cccc(OC)c4)no3)n2)cc1 ZINC000301369016 865315187 /nfs/dbraw/zinc/31/51/87/865315187.db2.gz ROXUQGKMCFZOKN-UHFFFAOYSA-N -1 3 377.404 3.552 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4c(F)cccc4F)C3)nc2)n1 ZINC000301544816 865415189 /nfs/dbraw/zinc/41/51/89/865415189.db2.gz DLCBMRUIWXFQTP-HNNXBMFYSA-N -1 3 397.429 3.776 20 0 GHADHM Cc1ccc(CN(C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)C2CC2)o1 ZINC000174152248 865470078 /nfs/dbraw/zinc/47/00/78/865470078.db2.gz ZYUOCYTWARWFBH-UHFFFAOYSA-N -1 3 392.455 3.523 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)Nc1ccc(F)cc1Cl ZINC000738289365 865522890 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O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000481157680 865922468 /nfs/dbraw/zinc/92/24/68/865922468.db2.gz WAGADDQCPBUMCC-UHFFFAOYSA-N -1 3 383.835 3.815 20 0 GHADHM CCOc1c(Br)cc(C(=O)Nc2cc(F)ccc2[O-])cc1OC ZINC000174868770 865949965 /nfs/dbraw/zinc/94/99/65/865949965.db2.gz MIVXOWCGCRIPSJ-UHFFFAOYSA-N -1 3 384.201 3.953 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C3CC3)ccc2C)cc1 ZINC000175198028 865981515 /nfs/dbraw/zinc/98/15/15/865981515.db2.gz JWHAJSUNFJVEIX-CQSZACIVSA-N -1 3 388.489 3.789 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000481205286 866005326 /nfs/dbraw/zinc/00/53/26/866005326.db2.gz NCZYFNVVVYYLEO-UHFFFAOYSA-N -1 3 387.337 3.606 20 0 GHADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000740797874 866012242 /nfs/dbraw/zinc/01/22/42/866012242.db2.gz FMCUJNYVOLZOLI-KRWDZBQOSA-N -1 3 398.544 3.943 20 0 GHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000534082718 866075224 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Cc1noc2ncc([N-]S(=O)(=O)/C=C\c3ccc(Br)cc3)cc12 ZINC000742231059 867146229 /nfs/dbraw/zinc/14/62/29/867146229.db2.gz JQLXLWGSMCGUHQ-SREVYHEPSA-N -1 3 394.250 3.706 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)s1 ZINC000742277592 867164309 /nfs/dbraw/zinc/16/43/09/867164309.db2.gz BODPUTZBBYRUAD-JTQLQIEISA-N -1 3 390.324 3.565 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](CC)C3CCC(C)CC3)CC2)n[n-]1 ZINC000444765919 867198476 /nfs/dbraw/zinc/19/84/76/867198476.db2.gz MAOIIIOBRQYKQR-VMBOVVBDSA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](CC)C3CCC(C)CC3)CC2)[n-]1 ZINC000444765919 867198487 /nfs/dbraw/zinc/19/84/87/867198487.db2.gz MAOIIIOBRQYKQR-VMBOVVBDSA-N -1 3 390.528 3.540 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)n1 ZINC000523423575 867264069 /nfs/dbraw/zinc/26/40/69/867264069.db2.gz YKZFSUAMEGVPCO-UHFFFAOYSA-N -1 3 377.444 3.886 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1OCCOc1ccccc1 ZINC000523424572 867265476 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GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000479393705 867695237 /nfs/dbraw/zinc/69/52/37/867695237.db2.gz RJWQZGRXBHPLKM-CABCVRRESA-N -1 3 380.535 3.682 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1OCC(F)F)c1cc(Cl)ccc1Cl ZINC000479425401 867722109 /nfs/dbraw/zinc/72/21/09/867722109.db2.gz PPZCPQXCEBWBOA-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743049310 867784585 /nfs/dbraw/zinc/78/45/85/867784585.db2.gz OFTKJFGUOHKKDB-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1 ZINC000479455939 867793638 /nfs/dbraw/zinc/79/36/38/867793638.db2.gz LZPWXOSBKRHFCG-UHFFFAOYSA-N -1 3 393.436 3.784 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000534945579 867807534 /nfs/dbraw/zinc/80/75/34/867807534.db2.gz ZLVNWWQBKLXGLK-QGZVFWFLSA-N -1 3 399.249 3.850 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C4CC4)c(C)c3)CC2)n[n-]1 ZINC000445165745 867885172 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CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)c1 ZINC000535101626 868173834 /nfs/dbraw/zinc/17/38/34/868173834.db2.gz VYLVKPRJPQJPAP-CTNGQTDRSA-N -1 3 382.460 3.779 20 0 GHADHM CN1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)c3cccc(c23)C1=O ZINC000156253874 868301998 /nfs/dbraw/zinc/30/19/98/868301998.db2.gz QJQXDNAGMNYRIV-UHFFFAOYSA-N -1 3 392.358 3.648 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000156402566 868355424 /nfs/dbraw/zinc/35/54/24/868355424.db2.gz KINWJRRHWSLEAP-OAHLLOKOSA-N -1 3 391.471 3.989 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000156404556 868356378 /nfs/dbraw/zinc/35/63/78/868356378.db2.gz WLFVPUPCOUKPJQ-JOCHJYFZSA-N -1 3 381.520 3.785 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1cccnc1C(F)(F)F ZINC000553871542 868383732 /nfs/dbraw/zinc/38/37/32/868383732.db2.gz KMHFFFZCJXWISB-UHFFFAOYSA-N -1 3 392.349 3.736 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1 ZINC000524017838 868398086 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20 0 GHADHM CC(C)C[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000133405088 882220338 /nfs/dbraw/zinc/22/03/38/882220338.db2.gz FTXBLOXQHPCHLL-CYBMUJFWSA-N -1 3 381.904 3.840 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432733 882220783 /nfs/dbraw/zinc/22/07/83/882220783.db2.gz GPFSTDNAQREPSY-SNVBAGLBSA-N -1 3 375.778 3.950 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432846 882220826 /nfs/dbraw/zinc/22/08/26/882220826.db2.gz JRBLBBQZXLAQDS-ZDUSSCGKSA-N -1 3 375.778 3.625 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000648433372 882222944 /nfs/dbraw/zinc/22/29/44/882222944.db2.gz ZRQUVWAVHOKMGR-NXEZZACHSA-N -1 3 379.716 3.541 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c(=O)[n-]1 ZINC000479938804 868756522 /nfs/dbraw/zinc/75/65/22/868756522.db2.gz HDRKKABLNHYYGB-LJQANCHMSA-N -1 3 393.491 3.636 20 0 GHADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000445696334 868866811 /nfs/dbraw/zinc/86/68/11/868866811.db2.gz GDJWTZKUPIMSGM-NSHDSACASA-N -1 3 392.212 3.844 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000524303437 868875243 /nfs/dbraw/zinc/87/52/43/868875243.db2.gz KIVVPGMTYCOQKE-LLVKDONJSA-N -1 3 381.259 3.648 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Br)c(CN(C)C)c1 ZINC000158452043 868950995 /nfs/dbraw/zinc/95/09/95/868950995.db2.gz JVASLOMZRSMMIO-UHFFFAOYSA-N -1 3 397.338 3.928 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000524357210 868960957 /nfs/dbraw/zinc/96/09/57/868960957.db2.gz JOGXQIHGCZAEPJ-UHFFFAOYSA-N -1 3 397.818 3.601 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(C(C)(C)Cc3ccccc3)no2)c([O-])c1 ZINC000445786936 868982479 /nfs/dbraw/zinc/98/24/79/868982479.db2.gz KRPVIMXFLHEUQI-UHFFFAOYSA-N -1 3 379.460 3.576 20 0 GHADHM C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000744725879 869030113 /nfs/dbraw/zinc/03/01/13/869030113.db2.gz PYYCRFAMJKLJOT-YVEFUNNKSA-N -1 3 375.371 3.579 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCCN(c4ccccc4Cl)C3=O)n[n-]2)o1 ZINC000744786802 869078417 /nfs/dbraw/zinc/07/84/17/869078417.db2.gz GGEIFGDLAQXJLM-SFHVURJKSA-N -1 3 399.834 3.984 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCCN(c4ccccc4Cl)C3=O)[n-]n2)o1 ZINC000744786802 869078426 /nfs/dbraw/zinc/07/84/26/869078426.db2.gz GGEIFGDLAQXJLM-SFHVURJKSA-N -1 3 399.834 3.984 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCc2ccc(F)cc2)c1 ZINC000445891618 869119275 /nfs/dbraw/zinc/11/92/75/869119275.db2.gz VZKVGVMQFBFMGE-OAHLLOKOSA-N -1 3 382.313 3.782 20 0 GHADHM CCC1(CC)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000504142104 869164817 /nfs/dbraw/zinc/16/48/17/869164817.db2.gz IHCLQHMRFAWQLJ-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCc2ccccc2F)cc1 ZINC000445950455 869214474 /nfs/dbraw/zinc/21/44/74/869214474.db2.gz XNEDEYKQENFIGV-HNNXBMFYSA-N -1 3 382.313 3.782 20 0 GHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C12CCC2 ZINC000462320771 869217666 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GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccccc3OC(F)F)nc2)n1 ZINC000190907112 882302581 /nfs/dbraw/zinc/30/25/81/882302581.db2.gz CYZNSPPGMDNDHX-UHFFFAOYSA-N -1 3 386.402 3.650 20 0 GHADHM CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857505316 882305741 /nfs/dbraw/zinc/30/57/41/882305741.db2.gz DUJUHOCBHLDYBJ-CQSZACIVSA-N -1 3 388.386 3.542 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000462517428 869595627 /nfs/dbraw/zinc/59/56/27/869595627.db2.gz PJJFBJSAASWBPZ-UHFFFAOYSA-N -1 3 381.375 3.614 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3F)s1 ZINC000462511901 869605933 /nfs/dbraw/zinc/60/59/33/869605933.db2.gz IHZGFIUYKNQCRE-ZDUSSCGKSA-N -1 3 390.299 3.924 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccccc2C(F)(F)F)cc1[O-] ZINC000745650361 869719873 /nfs/dbraw/zinc/71/98/73/869719873.db2.gz BVJDAHMSUUJKBE-UHFFFAOYSA-N -1 3 399.321 3.825 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2csc(Cc3ccccc3)n2)cc1[O-] ZINC000745651142 869720153 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GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000446713152 870217569 /nfs/dbraw/zinc/21/75/69/870217569.db2.gz VWEFGJMLRMUKDO-INIZCTEOSA-N -1 3 382.508 3.500 20 0 GHADHM Cc1ccc(F)c(CN(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640300058 882384143 /nfs/dbraw/zinc/38/41/43/882384143.db2.gz CYVDMHMAHYMTBV-UHFFFAOYSA-N -1 3 378.757 3.632 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC001192554047 870470679 /nfs/dbraw/zinc/47/06/79/870470679.db2.gz YNEZQIXOMGKXFQ-CABCVRRESA-N -1 3 375.893 3.884 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2Br)cnc1Cl ZINC001192529674 870491608 /nfs/dbraw/zinc/49/16/08/870491608.db2.gz OIQHPJCZLKISGZ-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000248578106 870506925 /nfs/dbraw/zinc/50/69/25/870506925.db2.gz POUVJJBGWSLSJQ-LLGFUMIMSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2coc(-c3ccc(F)cc3)n2)cc1F ZINC000122113532 882422199 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3.587 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N(c1cc(Br)ccc1N)C(C)C ZINC001193936823 871379439 /nfs/dbraw/zinc/37/94/39/871379439.db2.gz BVPUQMVRUPQLFZ-UHFFFAOYSA-N -1 3 379.254 3.806 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCCO1 ZINC001193903820 871388288 /nfs/dbraw/zinc/38/82/88/871388288.db2.gz FRQBNXSXSIYCLA-GFCCVEGCSA-N -1 3 396.734 3.729 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccccc1NC(=O)c1cccnc1Cl ZINC001193910336 871390787 /nfs/dbraw/zinc/39/07/87/871390787.db2.gz CMAFYCLNMWFGAM-UHFFFAOYSA-N -1 3 397.818 3.959 20 0 GHADHM C/C=C1\[C@H]2C=C(C)C[C@]1(NC(=O)c1c(C)cc(O)cc1[O-])c1ccc(=O)[nH]c1C2 ZINC001193945430 871422383 /nfs/dbraw/zinc/42/23/83/871422383.db2.gz DRRLOKQYVCJTDP-XGYYWYPFSA-N -1 3 392.455 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)Cc3ccccc3OC)nc2)n1 ZINC000539185390 871479595 /nfs/dbraw/zinc/47/95/95/871479595.db2.gz IOSKPEDVLQYQLN-OAHLLOKOSA-N -1 3 378.476 3.883 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1F ZINC000181791461 871495074 /nfs/dbraw/zinc/49/50/74/871495074.db2.gz AUNQQYZYAXLCGU-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(-c2cccs2)cc1 ZINC001194168635 871522818 /nfs/dbraw/zinc/52/28/18/871522818.db2.gz BZBZCSLFQWJQLE-UHFFFAOYSA-N -1 3 382.470 3.797 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194168955 871523171 /nfs/dbraw/zinc/52/31/71/871523171.db2.gz GPRFWACMAKXFOD-UHFFFAOYSA-N -1 3 390.461 3.715 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1Br ZINC000763501099 871527704 /nfs/dbraw/zinc/52/77/04/871527704.db2.gz PERXDUIHHSRHSQ-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1F ZINC001194243728 871582067 /nfs/dbraw/zinc/58/20/67/871582067.db2.gz AUDUDDSXWVMRID-UHFFFAOYSA-N -1 3 378.812 3.532 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000794039175 882544019 /nfs/dbraw/zinc/54/40/19/882544019.db2.gz SVTDCBWFAXVPAM-LJQANCHMSA-N -1 3 396.487 3.733 20 0 GHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2c([O-])cccc2O)cn1 ZINC000447552784 871782482 /nfs/dbraw/zinc/78/24/82/871782482.db2.gz ONPMJIPNKHQDFK-UHFFFAOYSA-N -1 3 380.400 3.614 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2nccs2)c(C(=O)OC(C)(C)C)c1C ZINC000618633695 871787012 /nfs/dbraw/zinc/78/70/12/871787012.db2.gz BADGHXKYIBKQLT-UHFFFAOYSA-N -1 3 396.490 3.897 20 0 GHADHM C[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000525966963 871815391 /nfs/dbraw/zinc/81/53/91/871815391.db2.gz HIYYVABZKBMJMA-QRWLVFNGSA-N -1 3 389.455 3.656 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525966959 871815824 /nfs/dbraw/zinc/81/58/24/871815824.db2.gz HBOSWLWGANTTJR-YWZLYKJASA-N -1 3 377.444 3.756 20 0 GHADHM C[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000525966961 871815926 /nfs/dbraw/zinc/81/59/26/871815926.db2.gz HIYYVABZKBMJMA-FOIQADDNSA-N -1 3 389.455 3.656 20 0 GHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525968110 871817481 /nfs/dbraw/zinc/81/74/81/871817481.db2.gz GTRDVOFLBAMMAD-INIZCTEOSA-N -1 3 382.489 3.984 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC3(CCC3)Oc3ccccc32)c(F)c1F ZINC001194692574 871891648 /nfs/dbraw/zinc/89/16/48/871891648.db2.gz ZYCFJCVQDMJOLG-CQSZACIVSA-N -1 3 379.428 3.998 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1F ZINC000539400977 871902619 /nfs/dbraw/zinc/90/26/19/871902619.db2.gz WTBRBPRTYQEJLE-UHFFFAOYSA-N -1 3 397.431 3.974 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(OC(C)C)c2)cc1F ZINC001194750928 871906238 /nfs/dbraw/zinc/90/62/38/871906238.db2.gz FNNDNGIWGNEATF-GFCCVEGCSA-N -1 3 385.432 3.800 20 0 GHADHM O=C(Nc1ccc2cnn([C@@H]3CCCCO3)c2c1)c1cnc(C(F)(F)F)[n-]1 ZINC001194782329 871928560 /nfs/dbraw/zinc/92/85/60/871928560.db2.gz OXBYISPUKLTTCN-AWEZNQCLSA-N -1 3 379.342 3.730 20 0 GHADHM Cn1ccnc1Sc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000618782179 871980723 /nfs/dbraw/zinc/98/07/23/871980723.db2.gz XISYRVZMAJJFFP-UHFFFAOYSA-N -1 3 376.441 3.665 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)no3)cc2)c(C)c1C ZINC001194865121 871997336 /nfs/dbraw/zinc/99/73/36/871997336.db2.gz YWTKYBQOJNFEKX-UHFFFAOYSA-N -1 3 387.461 3.780 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1C)c1cccc2ccccc21 ZINC001194896835 872017926 /nfs/dbraw/zinc/01/79/26/872017926.db2.gz PBJKJIQZIAYTDW-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM O=c1cc(CN2CCC[C@H]2c2cccc3c2OCCO3)c2ccc([O-])cc2o1 ZINC000182210901 872033399 /nfs/dbraw/zinc/03/33/99/872033399.db2.gz OZPCMCGPNZUIGV-SFHVURJKSA-N -1 3 379.412 3.607 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cccc2nccnc21 ZINC001194978974 872081628 /nfs/dbraw/zinc/08/16/28/872081628.db2.gz UPZWNPGVOURVFF-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1F ZINC001194991265 872091939 /nfs/dbraw/zinc/09/19/39/872091939.db2.gz HWHQFLCBBBHDRA-UHFFFAOYSA-N -1 3 390.480 3.653 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195127482 872188613 /nfs/dbraw/zinc/18/86/13/872188613.db2.gz FABFVYGVUKERQB-OAHLLOKOSA-N -1 3 387.867 3.691 20 0 GHADHM COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000526921172 872277213 /nfs/dbraw/zinc/27/72/13/872277213.db2.gz ITPQPPKYFHWFJL-CQSZACIVSA-N -1 3 379.412 3.588 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000619133264 872339030 /nfs/dbraw/zinc/33/90/30/872339030.db2.gz WVSZZCPQTRQLNP-ZIAGYGMSSA-N -1 3 393.484 3.605 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC001195395668 872388730 /nfs/dbraw/zinc/38/87/30/872388730.db2.gz CXPOAGHWYVTBIO-KRWDZBQOSA-N -1 3 395.908 3.842 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c2cccnc12 ZINC000540894348 872416453 /nfs/dbraw/zinc/41/64/53/872416453.db2.gz ANDAWZLQMBBKRY-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(C(F)F)c(Br)c1 ZINC001195568543 872507516 /nfs/dbraw/zinc/50/75/16/872507516.db2.gz OTYDBQUFNCRDOC-UHFFFAOYSA-N -1 3 388.168 3.539 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(C(F)F)c(Br)c1 ZINC001195568543 872507523 /nfs/dbraw/zinc/50/75/23/872507523.db2.gz OTYDBQUFNCRDOC-UHFFFAOYSA-N -1 3 388.168 3.539 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350214 872558315 /nfs/dbraw/zinc/55/83/15/872558315.db2.gz NICMMCDTMVUXHO-ROUUACIJSA-N -1 3 391.427 3.518 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350214 872558326 /nfs/dbraw/zinc/55/83/26/872558326.db2.gz NICMMCDTMVUXHO-ROUUACIJSA-N -1 3 391.427 3.518 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)[n-]1 ZINC000619448367 872636547 /nfs/dbraw/zinc/63/65/47/872636547.db2.gz OMQVXSVZRKLSFR-UHFFFAOYSA-N -1 3 392.387 3.900 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c[n-]1 ZINC000619448367 872636553 /nfs/dbraw/zinc/63/65/53/872636553.db2.gz OMQVXSVZRKLSFR-UHFFFAOYSA-N -1 3 392.387 3.900 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001195774449 872649558 /nfs/dbraw/zinc/64/95/58/872649558.db2.gz NMQGIZTUUIRGJJ-UHFFFAOYSA-N -1 3 396.306 3.723 20 0 GHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(F)(F)F ZINC000767608608 872668221 /nfs/dbraw/zinc/66/82/21/872668221.db2.gz YMFSPGIJPLSITM-OQPBUACISA-N -1 3 381.807 3.539 20 0 GHADHM O=S(=O)([N-]c1ccc2c(cnn2Cc2ccccc2)c1)c1ccc(O)cc1 ZINC001195795973 872669014 /nfs/dbraw/zinc/66/90/14/872669014.db2.gz JWBSVWMSYWRZGM-UHFFFAOYSA-N -1 3 379.441 3.591 20 0 GHADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC001195846017 872710965 /nfs/dbraw/zinc/71/09/65/872710965.db2.gz HNLKEPBEXHVGRP-UHFFFAOYSA-N -1 3 380.363 3.609 20 0 GHADHM Cc1nc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cs1 ZINC000552470241 872713482 /nfs/dbraw/zinc/71/34/82/872713482.db2.gz HVEMGQWMKZHHKQ-UHFFFAOYSA-N -1 3 394.468 3.918 20 0 GHADHM CCO[C@@H]1C[C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C12CCCCC2 ZINC000182734102 872737213 /nfs/dbraw/zinc/73/72/13/872737213.db2.gz PHQIPWPVUXJAHD-QZTJIDSGSA-N -1 3 382.526 3.607 20 0 GHADHM O=c1cc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)nc(C2CC2)[n-]1 ZINC001195956075 872794897 /nfs/dbraw/zinc/79/48/97/872794897.db2.gz WFIZVRKSEFGVCM-UHFFFAOYSA-N -1 3 379.291 3.689 20 0 GHADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]C[C@@H]1OCc2ccccc21 ZINC001196022723 872820444 /nfs/dbraw/zinc/82/04/44/872820444.db2.gz YYEOFAWABVUWOV-LBPRGKRZSA-N -1 3 378.302 3.746 20 0 GHADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)c1 ZINC000182868493 872907195 /nfs/dbraw/zinc/90/71/95/872907195.db2.gz XTJRBXKNCKREQY-KRWDZBQOSA-N -1 3 376.391 3.589 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccc(F)cc1)c1ccc(Br)cn1 ZINC001196191347 872913258 /nfs/dbraw/zinc/91/32/58/872913258.db2.gz QUDDCUMITGFLBN-OAHLLOKOSA-N -1 3 399.285 3.803 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)[n-]1 ZINC000619727767 872928870 /nfs/dbraw/zinc/92/88/70/872928870.db2.gz LSMNEYFIFGYEPL-UHFFFAOYSA-N -1 3 390.490 3.688 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)c[n-]1 ZINC000619727767 872928883 /nfs/dbraw/zinc/92/88/83/872928883.db2.gz LSMNEYFIFGYEPL-UHFFFAOYSA-N -1 3 390.490 3.688 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c(Br)c1 ZINC000508069471 872944065 /nfs/dbraw/zinc/94/40/65/872944065.db2.gz RHNZNDQIBFJLMC-UHFFFAOYSA-N -1 3 398.269 3.704 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)sc1Cl ZINC000191927682 882670443 /nfs/dbraw/zinc/67/04/43/882670443.db2.gz ZLIHOFZQAANDQV-NSHDSACASA-N -1 3 375.903 3.646 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC001196259380 872975055 /nfs/dbraw/zinc/97/50/55/872975055.db2.gz VUVUMBXLEVKKGR-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM C[C@@H]1CCc2sc([N-]C(=O)c3snc(Cl)c3Cl)c(C(N)=O)c2C1 ZINC001196333253 873039679 /nfs/dbraw/zinc/03/96/79/873039679.db2.gz CEDJKFKGPWIFBB-RXMQYKEDSA-N -1 3 390.317 3.987 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc3cc(Cl)ccc3c1)C(=O)N2 ZINC001196436719 873087703 /nfs/dbraw/zinc/08/77/03/873087703.db2.gz UCSLEOGEVRPXQJ-SFHVURJKSA-N -1 3 386.860 3.773 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccc(F)cc1 ZINC000122857588 882686622 /nfs/dbraw/zinc/68/66/22/882686622.db2.gz VZAUYZAXGKTLBX-MRXNPFEDSA-N -1 3 394.468 3.728 20 0 GHADHM Cc1cccc(C)c1CNC(=O)c1cc([O-])cc(I)c1 ZINC001196427439 873109404 /nfs/dbraw/zinc/10/94/04/873109404.db2.gz ADUJDEPXNPZPPX-UHFFFAOYSA-N -1 3 381.213 3.544 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1Br ZINC000061095159 882706538 /nfs/dbraw/zinc/70/65/38/882706538.db2.gz HOJVLTHAOYCBDE-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464182104 873365380 /nfs/dbraw/zinc/36/53/80/873365380.db2.gz CKDOSNGMVLJPDJ-UHFFFAOYSA-N -1 3 381.812 3.695 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC001196779482 873386583 /nfs/dbraw/zinc/38/65/83/873386583.db2.gz GXHORBNZWXGUNU-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000768644433 873463818 /nfs/dbraw/zinc/46/38/18/873463818.db2.gz SZHKMTVGNWWYSE-JTQLQIEISA-N -1 3 378.270 3.868 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1c(Cl)cccc1NC(=O)C(C)(C)C ZINC001196940107 873489715 /nfs/dbraw/zinc/48/97/15/873489715.db2.gz VZLZNQRTIDEXFV-UHFFFAOYSA-N -1 3 393.827 3.660 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(C)C ZINC000448549997 873590329 /nfs/dbraw/zinc/59/03/29/873590329.db2.gz MYMFPGVZELXRJN-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c1 ZINC000537644743 882738916 /nfs/dbraw/zinc/73/89/16/882738916.db2.gz SLGUAOCRIHKFMI-UHFFFAOYSA-N -1 3 377.444 3.592 20 0 GHADHM CCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)OC)[n-]3)n2)cc1 ZINC000550862589 882744777 /nfs/dbraw/zinc/74/47/77/882744777.db2.gz ZBWBETBFVBQPSR-UHFFFAOYSA-N -1 3 385.445 3.966 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000768902711 873661124 /nfs/dbraw/zinc/66/11/24/873661124.db2.gz XVPHGMGIAUJJDI-JJEJIETFSA-N -1 3 397.855 3.592 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)Cc2cccnc2)c(NC(=O)OC(C)(C)C)c1 ZINC001197464450 873820029 /nfs/dbraw/zinc/82/00/29/873820029.db2.gz CAJPSHXETKUASS-UHFFFAOYSA-N -1 3 377.466 3.679 20 0 GHADHM O=S(=O)(Cc1cccnc1)[N-]c1cc(OCC2CC2)cc(C(F)(F)F)c1 ZINC001197465679 873821269 /nfs/dbraw/zinc/82/12/69/873821269.db2.gz VNCKAQAYNLTWBY-UHFFFAOYSA-N -1 3 386.395 3.831 20 0 GHADHM O=C1NCc2c([N-]S(=O)(=O)Cc3cc(Cl)ccc3Cl)cccc2N1 ZINC001197538592 873866261 /nfs/dbraw/zinc/86/62/61/873866261.db2.gz XXVMQZTZJCLMGS-UHFFFAOYSA-N -1 3 386.260 3.570 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@]3(C)Br)c2)n1 ZINC000528029566 873893401 /nfs/dbraw/zinc/89/34/01/873893401.db2.gz JQONWMHMNIBDDY-GUYCJALGSA-N -1 3 376.254 3.524 20 0 GHADHM Cc1ccccc1C1([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)COC1 ZINC001197549923 873893771 /nfs/dbraw/zinc/89/37/71/873893771.db2.gz CSTMXRMDENAQSF-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM [O-]c1cc(I)ccc1NC(=S)Nc1cccc(F)c1 ZINC001197645207 873943576 /nfs/dbraw/zinc/94/35/76/873943576.db2.gz OAUPEVOLMQLIEI-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000104053782 874094709 /nfs/dbraw/zinc/09/47/09/874094709.db2.gz CQOGQEHLXVXBLH-UHFFFAOYSA-N -1 3 395.503 3.604 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000448862596 874132141 /nfs/dbraw/zinc/13/21/41/874132141.db2.gz YTFSXXQAZFFYFC-OAHLLOKOSA-N -1 3 399.397 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]2CCCC[C@@H]21 ZINC000769559862 874158575 /nfs/dbraw/zinc/15/85/75/874158575.db2.gz CPYALRFEAWNQSN-XIRDDKMYSA-N -1 3 392.471 3.716 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC(F)(F)CC2)c1 ZINC001198035010 874191254 /nfs/dbraw/zinc/19/12/54/874191254.db2.gz VKYPFRRRVKZNNZ-UHFFFAOYSA-N -1 3 384.423 3.912 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(C(F)(F)F)cc1F)c1ccc2nccnc2c1 ZINC001198148684 874247844 /nfs/dbraw/zinc/24/78/44/874247844.db2.gz RIFMVPVSGHHHNZ-UHFFFAOYSA-N -1 3 389.305 3.728 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3ccccc3OC(F)(F)F)c12 ZINC001198168816 874258078 /nfs/dbraw/zinc/25/80/78/874258078.db2.gz SPZWBLZENODZAD-UHFFFAOYSA-N -1 3 396.350 3.749 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000769741297 874276650 /nfs/dbraw/zinc/27/66/50/874276650.db2.gz JGQJYPJSQYUNRP-RHSMWYFYSA-N -1 3 376.497 3.863 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1Cl)c1cccc(Cl)n1 ZINC001198253549 874313413 /nfs/dbraw/zinc/31/34/13/874313413.db2.gz QNZVPFODAPIZJA-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1cccc(Cl)n1 ZINC001198259232 874317922 /nfs/dbraw/zinc/31/79/22/874317922.db2.gz ABWJGTDNBUDHMG-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM CN(Cc1nccn1Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000464724951 874385152 /nfs/dbraw/zinc/38/51/52/874385152.db2.gz KFHPAGUGLPFOSS-UHFFFAOYSA-N -1 3 399.454 3.958 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3[C@H](C)CC[C@@H]3C)c2)c1 ZINC000769981904 874385600 /nfs/dbraw/zinc/38/56/00/874385600.db2.gz AKBLYOWWUPWNSR-OKILXGFUSA-N -1 3 398.459 3.675 20 0 GHADHM O=c1[n-]c(CN(CCCO)Cc2cccc(Cl)c2)nc2c3ccccc3oc21 ZINC000134294489 882838873 /nfs/dbraw/zinc/83/88/73/882838873.db2.gz OPXFRKFKOWPRNL-UHFFFAOYSA-N -1 3 397.862 3.707 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)c(F)c2)c(C)c1 ZINC001198939553 874719307 /nfs/dbraw/zinc/71/93/07/874719307.db2.gz JGZNNNNSCCAKCQ-INIZCTEOSA-N -1 3 395.452 3.501 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCNc3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000542192051 875147588 /nfs/dbraw/zinc/14/75/88/875147588.db2.gz GMBXUKREGAIKDY-UHFFFAOYSA-N -1 3 395.438 3.920 20 0 GHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)C1CC1 ZINC000134464782 882900387 /nfs/dbraw/zinc/90/03/87/882900387.db2.gz BDRIUKVBCJCBQK-UHFFFAOYSA-N -1 3 398.528 3.877 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ncccc1C ZINC001201018613 875442085 /nfs/dbraw/zinc/44/20/85/875442085.db2.gz IVMHAMYUTDJTOS-ZDUSSCGKSA-N -1 3 387.274 3.721 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)nc(Cl)c1 ZINC000151582761 875629483 /nfs/dbraw/zinc/62/94/83/875629483.db2.gz ZTOMVWVAYROEEF-UHFFFAOYSA-N -1 3 376.037 3.787 20 0 GHADHM COc1cc(C(=O)OCc2c(F)cccc2Br)cc(OC)c1[O-] ZINC000772025341 875646977 /nfs/dbraw/zinc/64/69/77/875646977.db2.gz WKRIMNRDGNWEHG-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)C1 ZINC001201697225 875824992 /nfs/dbraw/zinc/82/49/92/875824992.db2.gz VIVNLNFSDBYEFP-LLVKDONJSA-N -1 3 395.308 3.745 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cccc(F)c1Br ZINC001201770684 875852310 /nfs/dbraw/zinc/85/23/10/875852310.db2.gz QAUSZISJKZTXSC-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM Cc1ccc(F)c(Br)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000913696131 875879862 /nfs/dbraw/zinc/87/98/62/875879862.db2.gz BOQSPFWRYYZLPR-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1cccc(F)c1Br ZINC001201786702 875882678 /nfs/dbraw/zinc/88/26/78/875882678.db2.gz DMGGSBBSPIHBNT-ZDUSSCGKSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cccc(F)c1Br ZINC001201791296 875886791 /nfs/dbraw/zinc/88/67/91/875886791.db2.gz MLUSVOKUFFMLRV-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM COC(=O)CCCS(=O)(=O)[N-]c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001201915341 875935150 /nfs/dbraw/zinc/93/51/50/875935150.db2.gz JTZSKVJPHKFMNM-UHFFFAOYSA-N -1 3 385.526 3.682 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000130413947 882982252 /nfs/dbraw/zinc/98/22/52/882982252.db2.gz BLZQUMWIFUFTHD-NSHDSACASA-N -1 3 392.278 3.628 20 0 GHADHM C[C@@H](CN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](C)CO)c1ccccc1 ZINC000529391106 876066218 /nfs/dbraw/zinc/06/62/18/876066218.db2.gz DYSLQULBUNTCAL-KBPBESRZSA-N -1 3 392.293 3.781 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cncc(C)c3)cc2)cc1 ZINC000173003090 876076261 /nfs/dbraw/zinc/07/62/61/876076261.db2.gz MPCJMIPMUXDLRI-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM O=[S@](Cc1nnc(-c2ccccc2Br)o1)c1ccc([O-])cc1 ZINC000173154047 876212965 /nfs/dbraw/zinc/21/29/65/876212965.db2.gz LWNJGLPGVYTHGU-JOCHJYFZSA-N -1 3 379.235 3.513 20 0 GHADHM CC(C)(CO)[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccs1 ZINC000529523051 876281628 /nfs/dbraw/zinc/28/16/28/876281628.db2.gz WSKJPVSBHDTBAN-CQSZACIVSA-N -1 3 384.295 3.706 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000785977021 876380638 /nfs/dbraw/zinc/38/06/38/876380638.db2.gz BADZTVBBZTVFOA-UHFFFAOYSA-N -1 3 389.499 3.895 20 0 GHADHM O=C([N-][C@@H]1CSc2ccc(Br)cc21)C(F)(F)c1nccs1 ZINC000786014437 876386023 /nfs/dbraw/zinc/38/60/23/876386023.db2.gz APQDIQODYSQXNL-SECBINFHSA-N -1 3 391.262 3.961 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CC2(Cl)Cl)nc2c1cnn2Cc1ccccc1 ZINC000850002646 876589614 /nfs/dbraw/zinc/58/96/14/876589614.db2.gz CNIWHHSGLRDZHU-NSHDSACASA-N -1 3 381.288 3.866 20 0 GHADHM CC(C)c1cnc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)o1 ZINC000850002811 876589749 /nfs/dbraw/zinc/58/97/49/876589749.db2.gz FNVIRYNPEJDSLN-UHFFFAOYSA-N -1 3 381.461 3.984 20 0 GHADHM CC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000529801985 876684428 /nfs/dbraw/zinc/68/44/28/876684428.db2.gz XUYITNHWPAVTDQ-AZUAARDMSA-N -1 3 380.488 3.524 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)CCOc3ccccc3)cc2)n1 ZINC000174255156 876930630 /nfs/dbraw/zinc/93/06/30/876930630.db2.gz RHSQZLWEACSBBA-OAHLLOKOSA-N -1 3 377.444 3.789 20 0 GHADHM C[C@@H]1C[C@@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850576781 877046280 /nfs/dbraw/zinc/04/62/80/877046280.db2.gz RTQFTLHGWNXHFK-CXAGYDPISA-N -1 3 384.480 3.545 20 0 GHADHM CC[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccc(F)c1 ZINC000850577410 877048824 /nfs/dbraw/zinc/04/88/24/877048824.db2.gz ZTBBHOICECZSMR-INIZCTEOSA-N -1 3 390.459 3.587 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530081144 877077310 /nfs/dbraw/zinc/07/73/10/877077310.db2.gz XLJBXACFWICYIU-HXUWFJFHSA-N -1 3 389.455 3.650 20 0 GHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000787022134 877099260 /nfs/dbraw/zinc/09/92/60/877099260.db2.gz LZTLLGRIEZVXGI-WMLDXEAASA-N -1 3 394.487 3.616 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3sccc3Cl)c(C)c2)CC1 ZINC000450975533 877118900 /nfs/dbraw/zinc/11/89/00/877118900.db2.gz XIJBOPHRQSITAR-UHFFFAOYSA-N -1 3 399.969 3.653 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746636902 877165148 /nfs/dbraw/zinc/16/51/48/877165148.db2.gz PPMGJYRKRJMDQC-HNNXBMFYSA-N -1 3 381.501 3.853 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC001212265175 877303495 /nfs/dbraw/zinc/30/34/95/877303495.db2.gz WLDKMJCCPNRLLG-QMMMGPOBSA-N -1 3 395.369 3.877 20 0 GHADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451067758 877327290 /nfs/dbraw/zinc/32/72/90/877327290.db2.gz POZSFCGNUOEXAA-ZDUSSCGKSA-N -1 3 394.440 3.659 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC ZINC000030363798 877402105 /nfs/dbraw/zinc/40/21/05/877402105.db2.gz SILWZZWNIZNJTA-CYBMUJFWSA-N -1 3 384.841 3.686 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000851153188 877449234 /nfs/dbraw/zinc/44/92/34/877449234.db2.gz HOZLNVFDIWUYER-WCQYABFASA-N -1 3 379.400 3.584 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc2ccccc2[nH]1 ZINC000137427206 877545034 /nfs/dbraw/zinc/54/50/34/877545034.db2.gz BDXFBXDGCXYKGN-KZULUSFZSA-N -1 3 383.448 3.803 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1Cl ZINC000137443685 877546710 /nfs/dbraw/zinc/54/67/10/877546710.db2.gz CJSFRVLXNKHWRZ-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C(OC[C@@H]1CCC1(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000851311882 877589654 /nfs/dbraw/zinc/58/96/54/877589654.db2.gz MBVGQNGMHLQGRZ-ZDUSSCGKSA-N -1 3 399.390 3.829 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845341 877664267 /nfs/dbraw/zinc/66/42/67/877664267.db2.gz PFAWKHDAVSTTBO-AWEZNQCLSA-N -1 3 389.423 3.823 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000787848523 877668103 /nfs/dbraw/zinc/66/81/03/877668103.db2.gz PHANXMXPOFRLSQ-INIZCTEOSA-N -1 3 387.451 3.891 20 0 GHADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000551801346 877814616 /nfs/dbraw/zinc/81/46/16/877814616.db2.gz CUQZVHFEPZDKPL-SSDOTTSWSA-N -1 3 397.715 3.928 20 0 GHADHM O=S(=O)([N-]CCc1nnc(-c2ccccc2)o1)c1cc(Cl)ccc1Cl ZINC000175698630 877854693 /nfs/dbraw/zinc/85/46/93/877854693.db2.gz FXIREWIYVAKYDL-UHFFFAOYSA-N -1 3 398.271 3.564 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000193469434 877864343 /nfs/dbraw/zinc/86/43/43/877864343.db2.gz DTFNKGNFJBVNIA-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000530509989 877980266 /nfs/dbraw/zinc/98/02/66/877980266.db2.gz DVDOHCYDUIQOSC-UTUOFQBUSA-N -1 3 377.282 3.797 20 0 GHADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000530509988 877980747 /nfs/dbraw/zinc/98/07/47/877980747.db2.gz DVDOHCYDUIQOSC-IJLUTSLNSA-N -1 3 377.282 3.797 20 0 GHADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000551945958 878047105 /nfs/dbraw/zinc/04/71/05/878047105.db2.gz YPLMOOFBYNORHS-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)[N-]OC1CCOCC1 ZINC000772719706 878094111 /nfs/dbraw/zinc/09/41/11/878094111.db2.gz VEQAZKHPFKYNHP-UHFFFAOYSA-N -1 3 375.852 3.688 20 0 GHADHM CCc1cc2c(CSc3nnnn3-c3ccc(C)cc3)cc(=O)oc2cc1[O-] ZINC000008282832 878233483 /nfs/dbraw/zinc/23/34/83/878233483.db2.gz CESIROLPCFWGPC-UHFFFAOYSA-N -1 3 394.456 3.637 20 0 GHADHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451646995 878261793 /nfs/dbraw/zinc/26/17/93/878261793.db2.gz HEJDTICBRMQOMM-QMMMGPOBSA-N -1 3 380.215 3.629 20 0 GHADHM COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccccc2[O-])c1 ZINC000179987215 878305767 /nfs/dbraw/zinc/30/57/67/878305767.db2.gz JWECDKDSVVOFTH-JOCHJYFZSA-N -1 3 377.440 3.777 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537837074 878363962 /nfs/dbraw/zinc/36/39/62/878363962.db2.gz NIANFVVMUXANKM-UHFFFAOYSA-N -1 3 388.489 3.715 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1N1CCCCC1)C1=Cc2ccccc2OC1 ZINC000788841334 878376151 /nfs/dbraw/zinc/37/61/51/878376151.db2.gz INHFBHWCGJTLKM-UHFFFAOYSA-N -1 3 388.464 3.991 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(F)c(F)c1 ZINC000177181638 878588051 /nfs/dbraw/zinc/58/80/51/878588051.db2.gz FSLIJUFXTCHENR-UHFFFAOYSA-N -1 3 386.383 3.704 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnccc3C)cc2)cc1 ZINC000460823547 878626019 /nfs/dbraw/zinc/62/60/19/878626019.db2.gz MOKOQHFRZSGOAH-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)sc1C ZINC000538010963 878668662 /nfs/dbraw/zinc/66/86/62/878668662.db2.gz UWDIESGKVYEQIK-UHFFFAOYSA-N -1 3 396.603 3.757 20 0 GHADHM CCCN(C)[C@H](CNC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC000285660892 912382842 /nfs/dbraw/zinc/38/28/42/912382842.db2.gz XTSWWNGCCSBRQE-QGZVFWFLSA-N -1 3 380.916 3.874 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)s1 ZINC000460929348 878836185 /nfs/dbraw/zinc/83/61/85/878836185.db2.gz DSYKNBUBDHHWTL-PWSUYJOCSA-N -1 3 376.425 3.559 20 0 GHADHM CO[C@H](C)c1nc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cs1 ZINC000530974332 878858570 /nfs/dbraw/zinc/85/85/70/878858570.db2.gz SBYKNDXILRIUKP-LLVKDONJSA-N -1 3 399.476 3.643 20 0 GHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000530992146 878918677 /nfs/dbraw/zinc/91/86/77/878918677.db2.gz WTYJAJDLHIVXPM-LLVKDONJSA-N -1 3 393.270 3.575 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000632466439 879024438 /nfs/dbraw/zinc/02/44/38/879024438.db2.gz WDFKQVRNDNHMFR-SSDOTTSWSA-N -1 3 381.342 3.569 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](OC2CCOCC2)c2ccccc2)[nH][n-]1 ZINC000538223001 879044171 /nfs/dbraw/zinc/04/41/71/879044171.db2.gz QBZOFCHIQMYMCJ-JOCHJYFZSA-N -1 3 391.471 3.682 20 0 GHADHM O=C([N-]CCCN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)C(F)(F)F ZINC000789556926 879087427 /nfs/dbraw/zinc/08/74/27/879087427.db2.gz VXDFQFLEBJRYSM-MRXNPFEDSA-N -1 3 398.404 3.811 20 0 GHADHM COc1cc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)cc(OC)c1[O-] ZINC000616906476 879181530 /nfs/dbraw/zinc/18/15/30/879181530.db2.gz ZYWKJZXUQRTFKS-OAQYLSRUSA-N -1 3 399.487 3.823 20 0 GHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461106159 879182065 /nfs/dbraw/zinc/18/20/65/879182065.db2.gz DQTKWLLTGJGRBY-UHFFFAOYSA-N -1 3 378.441 3.938 20 0 GHADHM CCc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nnc1-c1ccccc1 ZINC000853636845 879196223 /nfs/dbraw/zinc/19/62/23/879196223.db2.gz KBQMVNUGZZEDDQ-AWEZNQCLSA-N -1 3 392.425 3.601 20 0 GHADHM COc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1OC1CCCC1 ZINC000111560079 879254615 /nfs/dbraw/zinc/25/46/15/879254615.db2.gz HVCPJCNCBMHLGE-UHFFFAOYSA-N -1 3 379.416 3.505 20 0 GHADHM O=C(NCc1ccc(COCc2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000111566603 879273970 /nfs/dbraw/zinc/27/39/70/879273970.db2.gz WVTASIKCQPAUBJ-UHFFFAOYSA-N -1 3 399.450 3.570 20 0 GHADHM O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000616988480 879290756 /nfs/dbraw/zinc/29/07/56/879290756.db2.gz UMMUIMVKXQBETD-INIZCTEOSA-N -1 3 393.270 3.620 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1nnc2ccccc2c1[O-] ZINC000111609259 879296604 /nfs/dbraw/zinc/29/66/04/879296604.db2.gz NDJNTVRYHDXPET-UHFFFAOYSA-N -1 3 376.347 3.502 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493278043 879360228 /nfs/dbraw/zinc/36/02/28/879360228.db2.gz CDPMHZJDGKVBPL-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1F)c1cccc(Cl)c1Br ZINC000493391079 879394187 /nfs/dbraw/zinc/39/41/87/879394187.db2.gz WEWIPPPGOFFDAM-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM O=C(NCc1ccc(-n2ccnc2)nc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746881111 879468199 /nfs/dbraw/zinc/46/81/99/879468199.db2.gz JRLBJYCBMSDVDF-UHFFFAOYSA-N -1 3 386.411 3.695 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000461270859 879492157 /nfs/dbraw/zinc/49/21/57/879492157.db2.gz RBMQOAWVDKXFMP-WMZOPIPTSA-N -1 3 391.870 3.742 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)ccc1OC(C)C ZINC000520840294 879560487 /nfs/dbraw/zinc/56/04/87/879560487.db2.gz HRVCOBWGQQIUIE-UHFFFAOYSA-N -1 3 385.489 3.984 20 0 GHADHM CC[C@H]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000452536101 879602360 /nfs/dbraw/zinc/60/23/60/879602360.db2.gz XVEKMAILMFTDIF-KBPBESRZSA-N -1 3 393.484 3.511 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCC(=O)c3ccccc32)[nH][n-]1 ZINC000493791619 879631736 /nfs/dbraw/zinc/63/17/36/879631736.db2.gz RPQKVSKNSOIURV-HNNXBMFYSA-N -1 3 395.846 3.859 20 0 GHADHM Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000152746051 879632141 /nfs/dbraw/zinc/63/21/41/879632141.db2.gz IYZJETMAWJWMIT-GFCCVEGCSA-N -1 3 388.316 3.959 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000452533418 879643736 /nfs/dbraw/zinc/64/37/36/879643736.db2.gz SBZKCNIGOHOQIE-UHFFFAOYSA-N -1 3 388.386 3.955 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)c1nccs1 ZINC000493811632 879652151 /nfs/dbraw/zinc/65/21/51/879652151.db2.gz BVUCWBWARGQCCM-MRVPVSSYSA-N -1 3 395.731 3.641 20 0 GHADHM CC(C)(C)c1cc(NC([O-])=NO[C@@H]2CCCCO2)n(-c2ccc(F)cc2)n1 ZINC000152832045 879786182 /nfs/dbraw/zinc/78/61/82/879786182.db2.gz IPOGPEGRUPEEEL-QGZVFWFLSA-N -1 3 376.432 3.889 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)C1)C(F)(F)F ZINC000854525880 879880342 /nfs/dbraw/zinc/88/03/42/879880342.db2.gz IXHJIABZAQSQFI-OKZBNKHCSA-N -1 3 396.453 3.563 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)nc21 ZINC000494081102 879901853 /nfs/dbraw/zinc/90/18/53/879901853.db2.gz CROPFSKSNFRYMV-IBGZPJMESA-N -1 3 393.443 3.989 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000247110893 879919871 /nfs/dbraw/zinc/91/98/71/879919871.db2.gz LLRJYEINNJGAIN-HOJAQTOUSA-N -1 3 396.462 3.621 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000790700488 879934909 /nfs/dbraw/zinc/93/49/09/879934909.db2.gz WTHPJOGUTJWPOC-JTQLQIEISA-N -1 3 385.798 3.629 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC000854603454 879942538 /nfs/dbraw/zinc/94/25/38/879942538.db2.gz IXJXBLXQDOCQTE-CJNGLKHVSA-N -1 3 392.521 3.586 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)nc21 ZINC000494130472 879958923 /nfs/dbraw/zinc/95/89/23/879958923.db2.gz IXJLZJCBJFLSNO-UHFFFAOYSA-N -1 3 388.427 3.916 20 0 GHADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452755385 879961978 /nfs/dbraw/zinc/96/19/78/879961978.db2.gz NJEXJPWXMKLCRF-DGCLKSJQSA-N -1 3 397.313 3.686 20 0 GHADHM COCCOc1ccc(CC(=O)Nc2c([O-])ccc(Br)c2C)cc1 ZINC000452747310 879970139 /nfs/dbraw/zinc/97/01/39/879970139.db2.gz HYJIHPIBKLNXSM-UHFFFAOYSA-N -1 3 394.265 3.670 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)c1cc(F)ccc1Cl ZINC001212311075 879970320 /nfs/dbraw/zinc/97/03/20/879970320.db2.gz GWJWMKKAJHMYGJ-OAHLLOKOSA-N -1 3 380.828 3.729 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000790739838 879971718 /nfs/dbraw/zinc/97/17/18/879971718.db2.gz TYFIKDSHFZCBPT-JTQLQIEISA-N -1 3 385.798 3.629 20 0 GHADHM O=C(CSc1ccncc1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000531513928 880011042 /nfs/dbraw/zinc/01/10/42/880011042.db2.gz CVLDMNFWKCWUST-UHFFFAOYSA-N -1 3 379.272 3.931 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(OC[C@H]4CCOC4)CC3)o2)cc1 ZINC000901441931 921112017 /nfs/dbraw/zinc/11/20/17/921112017.db2.gz NZJUCMSQDSIUAY-INIZCTEOSA-N -1 3 385.460 3.662 20 0 GHADHM Cc1ncsc1CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([S-])cc1)C2 ZINC001272016920 880038149 /nfs/dbraw/zinc/03/81/49/880038149.db2.gz JVXWWFUTHQTIAL-FQEVSTJZSA-N -1 3 387.574 3.869 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000112627594 880052282 /nfs/dbraw/zinc/05/22/82/880052282.db2.gz GPWSXXJYTKTWIX-MRXNPFEDSA-N -1 3 390.439 3.660 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183441934 912528579 /nfs/dbraw/zinc/52/85/79/912528579.db2.gz FLYDBAIWNMFSJP-PBHICJAKSA-N -1 3 389.459 3.521 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183441934 912528588 /nfs/dbraw/zinc/52/85/88/912528588.db2.gz FLYDBAIWNMFSJP-PBHICJAKSA-N -1 3 389.459 3.521 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(F)c3)cs2)c1 ZINC000183292048 880084785 /nfs/dbraw/zinc/08/47/85/880084785.db2.gz OTAKRCFXNDGYEQ-UHFFFAOYSA-N -1 3 385.420 3.730 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C1CCC(C)CC1 ZINC000112688777 880085542 /nfs/dbraw/zinc/08/55/42/880085542.db2.gz JVCSHPVPBUSJBY-RMKQUTBESA-N -1 3 381.520 3.921 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(F)cc1 ZINC000113139905 880356678 /nfs/dbraw/zinc/35/66/78/880356678.db2.gz KWNNEMBXBPUINK-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CO[C@H]3CCCC[C@@H]3CC)c2)n1 ZINC000184750000 880373630 /nfs/dbraw/zinc/37/36/30/880373630.db2.gz PPJVEMWAMQWPNR-KXBFYZLASA-N -1 3 383.492 3.923 20 0 GHADHM O=C(C[C@H]1COCCN1C(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000791386654 880379256 /nfs/dbraw/zinc/37/92/56/880379256.db2.gz JLSOBWDNPUPZSM-INIZCTEOSA-N -1 3 381.453 3.721 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(F)cc1Br ZINC000791533935 880485553 /nfs/dbraw/zinc/48/55/53/880485553.db2.gz GKAOTTUZFNQWLQ-UHFFFAOYSA-N -1 3 396.260 3.788 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1C ZINC000531836300 880544326 /nfs/dbraw/zinc/54/43/26/880544326.db2.gz GKCRIGJGPQNPKD-UHFFFAOYSA-N -1 3 391.489 3.535 20 0 GHADHM COC(=O)c1ccc([N-]C(=O)c2cc(COc3ccccc3F)on2)c(F)c1 ZINC000185691529 880662075 /nfs/dbraw/zinc/66/20/75/880662075.db2.gz AAQXUGVCONWGKZ-UHFFFAOYSA-N -1 3 388.326 3.571 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000185938687 880735644 /nfs/dbraw/zinc/73/56/44/880735644.db2.gz ULDWLPWJYFSIIG-IAQYHMDHSA-N -1 3 378.416 3.698 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000185938664 880735745 /nfs/dbraw/zinc/73/57/45/880735745.db2.gz ULDWLPWJYFSIIG-ABAIWWIYSA-N -1 3 378.416 3.698 20 0 GHADHM CC1(C)CC[C@@H](COC(=O)c2n[n-]c(-c3ccccc3)c2Br)O1 ZINC000792027739 880865735 /nfs/dbraw/zinc/86/57/35/880865735.db2.gz LPLWVWNBZFJMRP-LBPRGKRZSA-N -1 3 379.254 3.954 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000186415988 880880947 /nfs/dbraw/zinc/88/09/47/880880947.db2.gz LRGQLZVTWMIURA-FOIQADDNSA-N -1 3 378.900 3.905 20 0 GHADHM O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cc([O-])c2ccccc2c1 ZINC000792115600 880909691 /nfs/dbraw/zinc/90/96/91/880909691.db2.gz PNWQZMHWDFUERQ-UHFFFAOYSA-N -1 3 392.436 3.993 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)[n-]c1-c1ccccc1 ZINC000186840925 881001743 /nfs/dbraw/zinc/00/17/43/881001743.db2.gz JWZUFYIGIPETEY-UHFFFAOYSA-N -1 3 396.497 3.878 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2csc(-c3ccccn3)n2)nc1-c1ccccc1 ZINC000186840925 881001758 /nfs/dbraw/zinc/00/17/58/881001758.db2.gz JWZUFYIGIPETEY-UHFFFAOYSA-N -1 3 396.497 3.878 20 0 GHADHM CC(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856171257 881009302 /nfs/dbraw/zinc/00/93/02/881009302.db2.gz SSAGFROAFNVNNX-HZPDHXFCSA-N -1 3 384.442 3.732 20 0 GHADHM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792291016 881015503 /nfs/dbraw/zinc/01/55/03/881015503.db2.gz FLQPYYJLKZIOKF-UHFFFAOYSA-N -1 3 389.455 3.887 20 0 GHADHM CC(C)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000132311494 881081562 /nfs/dbraw/zinc/08/15/62/881081562.db2.gz PUTMRNFCMJNVGA-UHFFFAOYSA-N -1 3 391.265 3.533 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCCCC4)cn3)c[n-]c12 ZINC000119900734 881207912 /nfs/dbraw/zinc/20/79/12/881207912.db2.gz HYCPYTWPPVSQRK-UHFFFAOYSA-N -1 3 380.423 3.613 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000640292547 881235986 /nfs/dbraw/zinc/23/59/86/881235986.db2.gz LKIOJIGOLUHDGY-MRVPVSSYSA-N -1 3 380.823 3.643 20 0 GHADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000919961629 881273997 /nfs/dbraw/zinc/27/39/97/881273997.db2.gz HBWUXFURISQSOW-UHFFFAOYSA-N -1 3 392.477 3.786 20 0 GHADHM Nc1nc(=O)c2sc(=O)[n-]c2n1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334548 881286414 /nfs/dbraw/zinc/28/64/14/881286414.db2.gz WDNMJFCHASIQBV-UHFFFAOYSA-N -1 3 376.869 3.936 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)c(=O)[n-]1 ZINC000856494376 881293421 /nfs/dbraw/zinc/29/34/21/881293421.db2.gz DPBHESKBQXJIOP-UHFFFAOYSA-N -1 3 375.734 3.532 20 0 GHADHM CCc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccc1Br ZINC001129732788 883142927 /nfs/dbraw/zinc/14/29/27/883142927.db2.gz POGOXGWDDSVOQR-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccc1Br ZINC001129732788 883142934 /nfs/dbraw/zinc/14/29/34/883142934.db2.gz POGOXGWDDSVOQR-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(Oc2cnccn2)c1 ZINC000135377725 883325392 /nfs/dbraw/zinc/32/53/92/883325392.db2.gz RJHFHYJZOOIAQI-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H](O)c1ccccc1C1CCCCC1 ZINC001183653546 912695602 /nfs/dbraw/zinc/69/56/02/912695602.db2.gz BGANHEIPYONPHK-LJQANCHMSA-N -1 3 377.448 3.587 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H](O)c1ccccc1C1CCCCC1 ZINC001183653546 912695616 /nfs/dbraw/zinc/69/56/16/912695616.db2.gz BGANHEIPYONPHK-LJQANCHMSA-N -1 3 377.448 3.587 20 0 GHADHM O=S(=O)([N-]c1ccccc1Br)c1ccccc1OC(F)F ZINC000195437693 883346520 /nfs/dbraw/zinc/34/65/20/883346520.db2.gz DNAORBVCPDPZBK-UHFFFAOYSA-N -1 3 378.194 3.851 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000859003000 883530852 /nfs/dbraw/zinc/53/08/52/883530852.db2.gz KQLWIMVIIYAQDP-DLBZAZTESA-N -1 3 388.508 3.952 20 0 GHADHM O=S(=O)(Cc1ccc(OC(F)F)cc1)c1nnc(CCC2CCCC2)[n-]1 ZINC000195735076 883616764 /nfs/dbraw/zinc/61/67/64/883616764.db2.gz XWKRWSRTKBSTLG-UHFFFAOYSA-N -1 3 385.436 3.503 20 0 GHADHM O=S(=O)(Cc1ccc(OC(F)F)cc1)c1nc(CCC2CCCC2)n[n-]1 ZINC000195735076 883616770 /nfs/dbraw/zinc/61/67/70/883616770.db2.gz XWKRWSRTKBSTLG-UHFFFAOYSA-N -1 3 385.436 3.503 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000640311282 883799909 /nfs/dbraw/zinc/79/99/09/883799909.db2.gz LDUISJDQFGOCGD-UHFFFAOYSA-N -1 3 395.688 3.579 20 0 GHADHM CCc1nnc([N-]C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 ZINC000024444940 883834010 /nfs/dbraw/zinc/83/40/10/883834010.db2.gz CGKRGDDPDUEMMR-UHFFFAOYSA-N -1 3 385.346 3.696 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000116982339 884096532 /nfs/dbraw/zinc/09/65/32/884096532.db2.gz XEFONVYERSXBEQ-UHFFFAOYSA-N -1 3 381.863 3.671 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([O-])c1 ZINC000190939274 884133306 /nfs/dbraw/zinc/13/33/06/884133306.db2.gz OVFYPADCFBBMNA-OAHLLOKOSA-N -1 3 384.480 3.586 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3cccc(N(C)C)c3)c2)n1 ZINC000805887715 884209319 /nfs/dbraw/zinc/20/93/19/884209319.db2.gz HWDGNGJXOJJFLX-UHFFFAOYSA-N -1 3 377.444 3.762 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(OC)c3ccccc3F)c2)n1 ZINC000192186609 884244195 /nfs/dbraw/zinc/24/41/95/884244195.db2.gz HIQFVFWLBIHHSF-QFIPXVFZSA-N -1 3 395.434 3.639 20 0 GHADHM O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1cc([O-])ccc1Cl ZINC000476237992 884305905 /nfs/dbraw/zinc/30/59/05/884305905.db2.gz XRQNCEVHTYDLEC-JTQLQIEISA-N -1 3 390.650 3.522 20 0 GHADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000476274820 884336657 /nfs/dbraw/zinc/33/66/57/884336657.db2.gz SXAIGVPNKXQEIE-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000117228469 884345593 /nfs/dbraw/zinc/34/55/93/884345593.db2.gz KKKOYOUWCIRKFH-UHFFFAOYSA-N -1 3 388.276 3.846 20 0 GHADHM CCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029785533 884422618 /nfs/dbraw/zinc/42/26/18/884422618.db2.gz GATGQFDCFDPPDW-UHFFFAOYSA-N -1 3 392.496 3.565 20 0 GHADHM CCN(CC)c1nc([N-][C@@H](c2ccccn2)C(F)(F)F)nc2cccnc21 ZINC001168476626 884491647 /nfs/dbraw/zinc/49/16/47/884491647.db2.gz GAOOHQZRUSNOMI-HNNXBMFYSA-N -1 3 376.386 3.982 20 0 GHADHM O=C1Nc2cc3c(cc2C1=N[N-]c1ncc(C(F)(F)F)cc1Cl)OCCO3 ZINC000008084176 884635874 /nfs/dbraw/zinc/63/58/74/884635874.db2.gz XBHFNSLDBXFJBM-UHFFFAOYSA-N -1 3 398.728 3.943 20 0 GHADHM O=C(c1sc(-c2ccccc2)nc1C(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217062 884636102 /nfs/dbraw/zinc/63/61/02/884636102.db2.gz BWSSCDHKAVOPFP-LLVKDONJSA-N -1 3 390.415 3.806 20 0 GHADHM O=C(CCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000898221731 884675768 /nfs/dbraw/zinc/67/57/68/884675768.db2.gz OKMZYNSDCIBSSY-GFCCVEGCSA-N -1 3 396.274 3.791 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000860440523 884679834 /nfs/dbraw/zinc/67/98/34/884679834.db2.gz DRJMLYRPOLSOMB-UHFFFAOYSA-N -1 3 399.285 3.740 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[N-]OCCC(F)(F)F ZINC000154866880 884706761 /nfs/dbraw/zinc/70/67/61/884706761.db2.gz JPZAJKFHJQUJHO-CHWSQXEVSA-N -1 3 382.423 3.850 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc(F)c2)ccc1F ZINC000919084427 884858752 /nfs/dbraw/zinc/85/87/52/884858752.db2.gz NSZBWYLJKGWFTI-GFCCVEGCSA-N -1 3 383.416 3.570 20 0 GHADHM O=S(=O)(Cc1cc(Cl)nc(Cl)c1)c1nc(CCC2CCCC2)n[n-]1 ZINC000806646953 884896572 /nfs/dbraw/zinc/89/65/72/884896572.db2.gz YRFRGDJEUQSXLV-UHFFFAOYSA-N -1 3 389.308 3.603 20 0 GHADHM O=S(=O)(Cc1cc(Cl)nc(Cl)c1)c1nnc(CCC2CCCC2)[n-]1 ZINC000806646953 884896589 /nfs/dbraw/zinc/89/65/89/884896589.db2.gz YRFRGDJEUQSXLV-UHFFFAOYSA-N -1 3 389.308 3.603 20 0 GHADHM CC(C)Oc1ccccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000919107631 884914849 /nfs/dbraw/zinc/91/48/49/884914849.db2.gz UHAIVZCOFPEEGY-GOSISDBHSA-N -1 3 383.444 3.527 20 0 GHADHM CN(C)c1cccc([C@H]2CCCN2Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000117864431 885113943 /nfs/dbraw/zinc/11/39/43/885113943.db2.gz NNIUINZYOLDKBI-GOSISDBHSA-N -1 3 380.521 3.863 20 0 GHADHM CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc4ccsc4[n-]3)ccc21 ZINC000914890385 885115639 /nfs/dbraw/zinc/11/56/39/885115639.db2.gz DYMSEEOGEIAYGT-LLVKDONJSA-N -1 3 382.441 3.567 20 0 GHADHM CCCN(CC)c1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC001127330183 885175601 /nfs/dbraw/zinc/17/56/01/885175601.db2.gz CFMNUUKCFPRDGW-UHFFFAOYSA-N -1 3 380.448 3.838 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)nc21 ZINC001127330740 885202097 /nfs/dbraw/zinc/20/20/97/885202097.db2.gz JHQFMBRSLNCDSI-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c(C)s1 ZINC001299194393 885258999 /nfs/dbraw/zinc/25/89/99/885258999.db2.gz DDUHNLQZUZSARS-UHFFFAOYSA-N -1 3 376.821 3.590 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4c([nH]c3=O)CCC4)nc(=O)c2c1C ZINC000919305522 885314379 /nfs/dbraw/zinc/31/43/79/885314379.db2.gz AAIIAPCPZCZKRZ-VIFPVBQESA-N -1 3 385.445 3.521 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3COC[C@@H]3c3ccccc3)c2)n1 ZINC000666587345 885368316 /nfs/dbraw/zinc/36/83/16/885368316.db2.gz FZYMGVYMWQLXCQ-WOJBJXKFSA-N -1 3 389.455 3.780 20 0 GHADHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000053514504 885376083 /nfs/dbraw/zinc/37/60/83/885376083.db2.gz JHPATNKIDLUQDR-UHFFFAOYSA-N -1 3 394.515 3.869 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000107665516 885432946 /nfs/dbraw/zinc/43/29/46/885432946.db2.gz RVJDQQBCKOSQBA-CYBMUJFWSA-N -1 3 396.516 3.547 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)cc1Cl ZINC000104732164 885591771 /nfs/dbraw/zinc/59/17/71/885591771.db2.gz UYUXPERQPRNKNY-LBPRGKRZSA-N -1 3 398.887 3.737 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000747411053 885601003 /nfs/dbraw/zinc/60/10/03/885601003.db2.gz XABSJAOWAZXRNG-UHFFFAOYSA-N -1 3 391.449 3.779 20 0 GHADHM CCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000118340753 885627831 /nfs/dbraw/zinc/62/78/31/885627831.db2.gz BYKKJMFXBYSHOE-QFIPXVFZSA-N -1 3 398.466 3.878 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000550678878 885848145 /nfs/dbraw/zinc/84/81/45/885848145.db2.gz XDXDUOHJHDHNSE-UHFFFAOYSA-N -1 3 387.892 3.613 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)ccc1F ZINC000915176835 885923148 /nfs/dbraw/zinc/92/31/48/885923148.db2.gz QTYWQAXKCUFEKX-QILLFSRXSA-N -1 3 396.528 3.553 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000536880827 885935357 /nfs/dbraw/zinc/93/53/57/885935357.db2.gz DFUIGWFCUOJUEL-VIFPVBQESA-N -1 3 389.238 3.637 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c1F ZINC000808108518 886019184 /nfs/dbraw/zinc/01/91/84/886019184.db2.gz HYACXHUZTSTBJE-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM CC(=O)CCCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000862074982 886087861 /nfs/dbraw/zinc/08/78/61/886087861.db2.gz HCKITRSOMOIGIL-UHFFFAOYSA-N -1 3 393.281 3.560 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1C ZINC000055595374 886091255 /nfs/dbraw/zinc/09/12/55/886091255.db2.gz 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COc1cccc2c1n[n-]c2C(=O)O[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000808676663 886672856 /nfs/dbraw/zinc/67/28/56/886672856.db2.gz PHHONMIENAQAJF-GFCCVEGCSA-N -1 3 378.388 3.848 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1C ZINC000863428407 887100235 /nfs/dbraw/zinc/10/02/35/887100235.db2.gz GADQWZIIATXUDI-UHFFFAOYSA-N -1 3 392.477 3.552 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(C(C)(C)C)c3C)c2)n1 ZINC000046067178 887140119 /nfs/dbraw/zinc/14/01/19/887140119.db2.gz ZLDFJTXDTGVHRU-UHFFFAOYSA-N -1 3 379.464 3.512 20 0 GHADHM COc1ccc([C@@H]2CCN(CCOc3ccc(/C=C/C(=O)[O-])cc3)C2)cc1F ZINC000863476474 887140886 /nfs/dbraw/zinc/14/08/86/887140886.db2.gz FVYVFNZNJWSKSR-CHHNCHTKSA-N -1 3 385.435 3.800 20 0 GHADHM CSc1nsc([N-]C(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 ZINC000119737110 887483376 /nfs/dbraw/zinc/48/33/76/887483376.db2.gz IVAJKAJQFVRIBU-UHFFFAOYSA-N -1 3 397.888 3.858 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)cc1OC ZINC000794610229 887675749 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GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000055484164 888186746 /nfs/dbraw/zinc/18/67/46/888186746.db2.gz IIFWFULSSUAYNM-KGLIPLIRSA-N -1 3 393.484 3.511 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000055484172 888186846 /nfs/dbraw/zinc/18/68/46/888186846.db2.gz IIFWFULSSUAYNM-UONOGXRCSA-N -1 3 393.484 3.511 20 0 GHADHM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000055580802 888204586 /nfs/dbraw/zinc/20/45/86/888204586.db2.gz DRVNKMTYBYWBKD-UHFFFAOYSA-N -1 3 391.493 3.664 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)c1 ZINC000055643367 888222367 /nfs/dbraw/zinc/22/23/67/888222367.db2.gz IWZXGKGEZYYCKF-UHFFFAOYSA-N -1 3 393.505 3.917 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccccc2Br)n1 ZINC000763208011 888287596 /nfs/dbraw/zinc/28/75/96/888287596.db2.gz GIFRBXIOHFATAS-JTQLQIEISA-N -1 3 382.283 3.514 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000763208331 888301168 /nfs/dbraw/zinc/30/11/68/888301168.db2.gz LKMJDXPMEZYJCO-LLVKDONJSA-N -1 3 396.310 3.822 20 0 GHADHM COc1ccc(NCc2ccccc2CC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000865496339 888386245 /nfs/dbraw/zinc/38/62/45/888386245.db2.gz AIFGJYYHXFVAMT-UHFFFAOYSA-N -1 3 388.411 3.784 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ncc2Br)c([O-])c1 ZINC000810414124 888479973 /nfs/dbraw/zinc/47/99/73/888479973.db2.gz ZYRHZDQNTBRIMG-UHFFFAOYSA-N -1 3 399.628 3.632 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c(Cl)c1 ZINC000032592229 888513856 /nfs/dbraw/zinc/51/38/56/888513856.db2.gz FHYABJWKEBNBBF-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(C(C)C)c2)ccc1F ZINC001132306232 888576951 /nfs/dbraw/zinc/57/69/51/888576951.db2.gz NACCNKUPTJBWQA-UHFFFAOYSA-N -1 3 393.480 3.993 20 0 GHADHM CCCc1ccc(C(=O)Cc2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)cc1 ZINC000053843516 888696474 /nfs/dbraw/zinc/69/64/74/888696474.db2.gz OJUSMYVMYSNASE-UHFFFAOYSA-N -1 3 398.484 3.848 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1cc(F)cc(F)c1 ZINC001184538678 913270552 /nfs/dbraw/zinc/27/05/52/913270552.db2.gz LYQPBCFSZASTLG-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3[C@@H](O)c3ccccc3)nc2)n1 ZINC000866051459 888709760 /nfs/dbraw/zinc/70/97/60/888709760.db2.gz FKCBPHVCZPMKMV-NQIIRXRSSA-N -1 3 376.460 3.509 20 0 GHADHM Cc1nc(C)c(CCC(=O)O[C@H]2CCC[C@H]2Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000120905083 888734461 /nfs/dbraw/zinc/73/44/61/888734461.db2.gz ZQLCMYIUUBTENW-LPHOPBHVSA-N -1 3 388.895 3.927 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000120907409 888735794 /nfs/dbraw/zinc/73/57/94/888735794.db2.gz GKXWQVJEODYIIB-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCCC1 ZINC000454324581 888823586 /nfs/dbraw/zinc/82/35/86/888823586.db2.gz NQJXNPDCNAMXLG-OAHLLOKOSA-N -1 3 383.514 3.547 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(OCc2ccccc2)c1 ZINC000866627569 888979617 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20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001132551614 889081996 /nfs/dbraw/zinc/08/19/96/889081996.db2.gz WYZNEQQRHZGAJK-ZDUSSCGKSA-N -1 3 387.852 3.752 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3ccc(C)cc3Br)c(=O)c2c1C ZINC000121700146 889095973 /nfs/dbraw/zinc/09/59/73/889095973.db2.gz FZHQJSPWFSPDCN-UHFFFAOYSA-N -1 3 392.278 3.530 20 0 GHADHM COc1ccc(NC(=O)[C@H](OC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000016743015 889149508 /nfs/dbraw/zinc/14/95/08/889149508.db2.gz AVJJCBAWDILRSX-HXUWFJFHSA-N -1 3 377.396 3.938 20 0 GHADHM COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000016743014 889149739 /nfs/dbraw/zinc/14/97/39/889149739.db2.gz AVJJCBAWDILRSX-FQEVSTJZSA-N -1 3 377.396 3.938 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)sc1Br ZINC000123910587 889443484 /nfs/dbraw/zinc/44/34/84/889443484.db2.gz DSWKJXAVZFXTJN-VIFPVBQESA-N -1 3 380.354 3.790 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(OC)c2[O-])cc1Cl ZINC000124231425 889555681 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O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1cc(Br)ccc1[O-] ZINC000126570533 890596642 /nfs/dbraw/zinc/59/66/42/890596642.db2.gz RXBLQOCHQFHALT-UHFFFAOYSA-N -1 3 389.249 3.611 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)c1nc(-c2ccc(Cl)cc2)no1 ZINC000812502771 890685813 /nfs/dbraw/zinc/68/58/13/890685813.db2.gz ORXKIYPESAJZFY-ZVLZOBCMSA-N -1 3 395.912 3.951 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066814905 891066809 /nfs/dbraw/zinc/06/68/09/891066809.db2.gz BXTUAQZYDODSOG-AWEZNQCLSA-N -1 3 378.519 3.733 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000127494636 891096778 /nfs/dbraw/zinc/09/67/78/891096778.db2.gz ARIGXAWKPKKVRU-UHFFFAOYSA-N -1 3 382.489 3.961 20 0 GHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H](O)c1cccc3ccccc31)CC2 ZINC000872168128 891192224 /nfs/dbraw/zinc/19/22/24/891192224.db2.gz QUOGEHWUGPYVEL-NRFANRHFSA-N -1 3 377.440 3.638 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000747835470 891231014 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COc1ccc(-c2cnc(CCC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)o2)cc1 ZINC000497567793 891904690 /nfs/dbraw/zinc/90/46/90/891904690.db2.gz MIEZDKFSFRQFSW-UHFFFAOYSA-N -1 3 388.427 3.734 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c1Cl ZINC000572277522 891928705 /nfs/dbraw/zinc/92/87/05/891928705.db2.gz VNOIUHZFTCXYOD-CYBMUJFWSA-N -1 3 382.309 3.513 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)cc1F ZINC001185047444 913623433 /nfs/dbraw/zinc/62/34/33/913623433.db2.gz GILAWSICPKKVRN-VIFPVBQESA-N -1 3 393.358 3.614 20 0 GHADHM O=C([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1c(F)cncc1F ZINC000874328641 892090214 /nfs/dbraw/zinc/09/02/14/892090214.db2.gz BJOJJYOOXHBZAY-UHFFFAOYSA-N -1 3 387.365 3.736 20 0 GHADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccoc1C1(O)CCOCC1 ZINC000825736721 892124086 /nfs/dbraw/zinc/12/40/86/892124086.db2.gz HQSPHAAEFLSVDT-UHFFFAOYSA-N -1 3 391.493 3.504 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000128570362 892137577 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CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000497822208 892503378 /nfs/dbraw/zinc/50/33/78/892503378.db2.gz WICYFLLPQWWBLM-IAGOWNOFSA-N -1 3 399.249 3.638 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1 ZINC000497872625 892593138 /nfs/dbraw/zinc/59/31/38/892593138.db2.gz FLLFLCLPFSINLY-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)Cc3ccccc3Cl)c2)n1 ZINC000476009011 892600970 /nfs/dbraw/zinc/60/09/70/892600970.db2.gz HEPKDAQPAZDQJC-GOSISDBHSA-N -1 3 397.862 3.607 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(Oc2ccccc2)c1 ZINC000917895971 892757235 /nfs/dbraw/zinc/75/72/35/892757235.db2.gz YORAAXVPKWVSQS-UHFFFAOYSA-N -1 3 391.880 3.653 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000917908461 892802213 /nfs/dbraw/zinc/80/22/13/892802213.db2.gz WZAOZUPJIIIKFB-AWEZNQCLSA-N -1 3 387.908 3.977 20 0 GHADHM CCC[C@H](NCc1cccc([O-])c1Cl)C(=O)N1CCc2sccc2C1 ZINC000645153419 913710929 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GHADHM CC(=O)N1CC[C@@H](NCc2cccc([O-])c2Br)c2ccccc21 ZINC000459442968 893533418 /nfs/dbraw/zinc/53/34/18/893533418.db2.gz POMGCPKQWTZWCF-OAHLLOKOSA-N -1 3 375.266 3.742 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cc2ccccc2s1)c1cc(F)ccc1Cl ZINC000126427277 893540739 /nfs/dbraw/zinc/54/07/39/893540739.db2.gz FIYWPIULDPQPFY-CYBMUJFWSA-N -1 3 385.869 3.706 20 0 GHADHM CC(C)(C)C(=O)N1CCN(Cc2cccc([O-])c2Br)C(C)(C)C1 ZINC000459454042 893556801 /nfs/dbraw/zinc/55/68/01/893556801.db2.gz BJDLKHZEHFHRPL-UHFFFAOYSA-N -1 3 383.330 3.624 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CCC(C2CCOCC2)CC1 ZINC000563284808 893563036 /nfs/dbraw/zinc/56/30/36/893563036.db2.gz ZRIZYNWQFLNERS-UHFFFAOYSA-N -1 3 382.298 3.786 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(Cc2ccc(F)cc2)n1 ZINC000563323677 893624602 /nfs/dbraw/zinc/62/46/02/893624602.db2.gz DGUYPMIQINURCC-UHFFFAOYSA-N -1 3 378.432 3.937 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3OC(C)C)nc21 ZINC001134937725 893645273 /nfs/dbraw/zinc/64/52/73/893645273.db2.gz VKQBSMOUCFBDDD-UHFFFAOYSA-N -1 3 381.432 3.708 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000825971852 893645854 /nfs/dbraw/zinc/64/58/54/893645854.db2.gz PCXRQMSYFNUMJZ-HXUWFJFHSA-N -1 3 390.491 3.940 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000825971852 893645863 /nfs/dbraw/zinc/64/58/63/893645863.db2.gz PCXRQMSYFNUMJZ-HXUWFJFHSA-N -1 3 390.491 3.940 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000563376358 893680424 /nfs/dbraw/zinc/68/04/24/893680424.db2.gz JIYHMCNDHWGRFV-GFCCVEGCSA-N -1 3 375.831 3.699 20 0 GHADHM COc1ccc(Cn2ccc(NCc3cc(=O)oc4c(C)c([O-])ccc34)n2)cc1 ZINC000187521332 894039850 /nfs/dbraw/zinc/03/98/50/894039850.db2.gz OHJVPNBUTCONHW-UHFFFAOYSA-N -1 3 391.427 3.673 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878184283 894078754 /nfs/dbraw/zinc/07/87/54/894078754.db2.gz SSLVYDUFQJDLSD-JTQLQIEISA-N -1 3 380.275 3.681 20 0 GHADHM CC(F)(F)C(=O)[N-][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000815717862 894154407 /nfs/dbraw/zinc/15/44/07/894154407.db2.gz DZJMXIYZBVRPTH-OAHLLOKOSA-N -1 3 387.835 3.604 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3noc(-c4ccccc4C)n3)nc2)n1 ZINC000563761281 894157399 /nfs/dbraw/zinc/15/73/99/894157399.db2.gz FPITVCNKVXCSEQ-UHFFFAOYSA-N -1 3 388.431 3.777 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H]2CCCOc3cc(Br)ccc32)c[n-]1 ZINC000815979789 894350729 /nfs/dbraw/zinc/35/07/29/894350729.db2.gz NVVXSVAOVVRVQR-AWEZNQCLSA-N -1 3 394.221 3.635 20 0 GHADHM Cc1c2ccccc2oc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000127189385 894372664 /nfs/dbraw/zinc/37/26/64/894372664.db2.gz LCSUWJWMYNPEHP-UHFFFAOYSA-N -1 3 377.393 3.609 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc3oc(C4CC4)nc3c1)c2=O ZINC000537167937 894478346 /nfs/dbraw/zinc/47/83/46/894478346.db2.gz NMYQGMLROBRUET-UHFFFAOYSA-N -1 3 393.374 3.947 20 0 GHADHM Cc1cc(Br)cc2c1CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000537172727 894492069 /nfs/dbraw/zinc/49/20/69/894492069.db2.gz XTSKEYYGHOHVOM-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000878694887 894516345 /nfs/dbraw/zinc/51/63/45/894516345.db2.gz BJHUNRPLTMGNTL-HXUWFJFHSA-N -1 3 379.460 3.826 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(Oc3ccc(Cl)cn3)CC2)o1 ZINC000878707283 894525838 /nfs/dbraw/zinc/52/58/38/894525838.db2.gz QPPOJKWBTLHMEY-UHFFFAOYSA-N -1 3 386.839 3.534 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(F)c3N)cc2)cc1 ZINC001135435068 894579825 /nfs/dbraw/zinc/57/98/25/894579825.db2.gz DMCYLPWIBCVJHE-UHFFFAOYSA-N -1 3 399.447 3.769 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)o1 ZINC000878802867 894630548 /nfs/dbraw/zinc/63/05/48/894630548.db2.gz SNEUVCQLSNSFBT-FQEVSTJZSA-N -1 3 385.851 3.579 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564224462 894739964 /nfs/dbraw/zinc/73/99/64/894739964.db2.gz VJZSOPNGIODMQR-CQSZACIVSA-N -1 3 394.475 3.635 20 0 GHADHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)c1cc(C)oc1C ZINC000537351568 894819929 /nfs/dbraw/zinc/81/99/29/894819929.db2.gz JPRWCACAQREJPU-UHFFFAOYSA-N -1 3 399.515 3.828 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000537436389 894984310 /nfs/dbraw/zinc/98/43/10/894984310.db2.gz QHTQDTIKJYYLLE-QWHCGFSZSA-N -1 3 383.407 3.717 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnnc(-c2ccccc2)c1 ZINC000564514107 895045626 /nfs/dbraw/zinc/04/56/26/895045626.db2.gz UDXSDPDHINXVOW-UHFFFAOYSA-N -1 3 384.233 3.542 20 0 GHADHM O=C(NCc1cccc(C(F)(F)F)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001135730187 895176303 /nfs/dbraw/zinc/17/63/03/895176303.db2.gz RMHPDLKJVTUQGX-UHFFFAOYSA-N -1 3 382.288 3.755 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(Cl)n1 ZINC000760324977 895191074 /nfs/dbraw/zinc/19/10/74/895191074.db2.gz FLGBLJZLUXECSD-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000040443274 895387158 /nfs/dbraw/zinc/38/71/58/895387158.db2.gz RSFNKJPJUPKONH-UHFFFAOYSA-N -1 3 389.702 3.969 20 0 GHADHM CCN(CC)[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)c1cccc(C(F)(F)F)c1 ZINC000565656948 895789233 /nfs/dbraw/zinc/78/92/33/895789233.db2.gz PGQBLNNEEJZRAM-OAHLLOKOSA-N -1 3 393.369 3.682 20 0 GHADHM COc1ccc(C=O)cc1CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826191175 896010712 /nfs/dbraw/zinc/01/07/12/896010712.db2.gz ZAGQPNVWLXGSBX-UHFFFAOYSA-N -1 3 394.378 3.999 20 0 GHADHM COc1ccc(C=O)cc1CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826191175 896010718 /nfs/dbraw/zinc/01/07/18/896010718.db2.gz ZAGQPNVWLXGSBX-UHFFFAOYSA-N -1 3 394.378 3.999 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1F ZINC001185680280 914037988 /nfs/dbraw/zinc/03/79/88/914037988.db2.gz SJHOPGZQHWLDCC-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccnc(-c2ncc[nH]2)c1 ZINC000645750892 914045818 /nfs/dbraw/zinc/04/58/18/914045818.db2.gz AORPKPCMBZDQMS-UHFFFAOYSA-N -1 3 399.241 3.843 20 0 GHADHM COc1ccc2[nH]cc(/C=C/C(=O)Nc3ncc([O-])cc3Br)c2c1 ZINC001185746996 914059676 /nfs/dbraw/zinc/05/96/76/914059676.db2.gz ZUXNEYSQAITQMG-GORDUTHDSA-N -1 3 388.221 3.692 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21)CC(F)F ZINC000645794770 914068365 /nfs/dbraw/zinc/06/83/65/914068365.db2.gz XECOHSIGZQMYQA-SECBINFHSA-N -1 3 393.253 3.567 20 0 GHADHM CS[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826225549 896524996 /nfs/dbraw/zinc/52/49/96/896524996.db2.gz DZTGBWYTBKLMKH-UONOGXRCSA-N -1 3 396.520 3.645 20 0 GHADHM CS[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826225549 896525001 /nfs/dbraw/zinc/52/50/01/896525001.db2.gz DZTGBWYTBKLMKH-UONOGXRCSA-N -1 3 396.520 3.645 20 0 GHADHM CSc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826230391 896561993 /nfs/dbraw/zinc/56/19/93/896561993.db2.gz QTLHDHHOXWHRMO-UHFFFAOYSA-N -1 3 391.456 3.779 20 0 GHADHM CSc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826230391 896562011 /nfs/dbraw/zinc/56/20/11/896562011.db2.gz QTLHDHHOXWHRMO-UHFFFAOYSA-N -1 3 391.456 3.779 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(Cl)ccc1Cl ZINC000645832748 914082825 /nfs/dbraw/zinc/08/28/25/914082825.db2.gz OXQUJSDYDBPTFZ-UKRRQHHQSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1CC=CCC1 ZINC000826271944 896826160 /nfs/dbraw/zinc/82/61/60/896826160.db2.gz NXMSOVHPLYPOSD-UHFFFAOYSA-N -1 3 376.420 3.761 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1CC=CCC1 ZINC000826271944 896826170 /nfs/dbraw/zinc/82/61/70/896826170.db2.gz NXMSOVHPLYPOSD-UHFFFAOYSA-N -1 3 376.420 3.761 20 0 GHADHM O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(O)cc1[O-] ZINC001136249555 896886211 /nfs/dbraw/zinc/88/62/11/896886211.db2.gz WGEXOLODTVMDHR-LJQANCHMSA-N -1 3 394.496 3.689 20 0 GHADHM Cc1ccc(C2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cn1 ZINC000826286347 896900239 /nfs/dbraw/zinc/90/02/39/896900239.db2.gz ZCGOIAQPLPYBDS-UHFFFAOYSA-N -1 3 397.870 3.635 20 0 GHADHM Cc1ccc(C2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cn1 ZINC000826286347 896900258 /nfs/dbraw/zinc/90/02/58/896900258.db2.gz ZCGOIAQPLPYBDS-UHFFFAOYSA-N -1 3 397.870 3.635 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000819933189 897070149 /nfs/dbraw/zinc/07/01/49/897070149.db2.gz IZSWHZRSDKNFTR-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000819933189 897070161 /nfs/dbraw/zinc/07/01/61/897070161.db2.gz IZSWHZRSDKNFTR-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM COC(=O)Nc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc(C(F)(F)F)c1 ZINC000820217790 897244941 /nfs/dbraw/zinc/24/49/41/897244941.db2.gz BJYOSRAWSHHWFH-UHFFFAOYSA-N -1 3 394.309 3.718 20 0 GHADHM Cc1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1F ZINC000826299522 897258158 /nfs/dbraw/zinc/25/81/58/897258158.db2.gz JHFONGTXKNZJRA-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826299522 897258170 /nfs/dbraw/zinc/25/81/70/897258170.db2.gz JHFONGTXKNZJRA-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM COc1cccc(S([O-])=CC(=O)O[C@@H](COC(C)C)c2cccc(F)c2)c1 ZINC000820627910 897421866 /nfs/dbraw/zinc/42/18/66/897421866.db2.gz VCLLSFYLFNDEON-PPHZAIPVSA-N -1 3 394.464 3.651 20 0 GHADHM Cc1c2ccccc2nc(N2CCN(CCc3cccs3)CC2)c1C(=O)[O-] ZINC000567980298 897519961 /nfs/dbraw/zinc/51/99/61/897519961.db2.gz YIVVOGJFPUBPAP-UHFFFAOYSA-N -1 3 381.501 3.668 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])NCCCc1ccncc1 ZINC001185937943 914181192 /nfs/dbraw/zinc/18/11/92/914181192.db2.gz YRSQBVMICBQXQE-UHFFFAOYSA-N -1 3 397.519 3.607 20 0 GHADHM Cc1ncccc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826330063 897681156 /nfs/dbraw/zinc/68/11/56/897681156.db2.gz DFLBFSZMXSNUTR-CQSZACIVSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ncccc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826330063 897681162 /nfs/dbraw/zinc/68/11/62/897681162.db2.gz DFLBFSZMXSNUTR-CQSZACIVSA-N -1 3 384.443 3.728 20 0 GHADHM COCc1nc(C)cc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000821696052 898031997 /nfs/dbraw/zinc/03/19/97/898031997.db2.gz UGAIFPXFMGVMJU-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM COCc1nc(C)cc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000821696052 898032010 /nfs/dbraw/zinc/03/20/10/898032010.db2.gz UGAIFPXFMGVMJU-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM Cn1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000826362003 898129497 /nfs/dbraw/zinc/12/94/97/898129497.db2.gz ZGRFSZUBDZNLKP-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cn1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000826362003 898129508 /nfs/dbraw/zinc/12/95/08/898129508.db2.gz ZGRFSZUBDZNLKP-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1sccc1Br)c1nc(C)cs1 ZINC000104760085 898160324 /nfs/dbraw/zinc/16/03/24/898160324.db2.gz HCGHBMSSKMFTJH-VIFPVBQESA-N -1 3 381.342 3.705 20 0 GHADHM FC(F)(F)c1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1 ZINC000826368127 898164163 /nfs/dbraw/zinc/16/41/63/898164163.db2.gz CQNZVQZBBHITLT-CQSZACIVSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)cc1 ZINC000826368127 898164167 /nfs/dbraw/zinc/16/41/67/898164167.db2.gz CQNZVQZBBHITLT-CQSZACIVSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)Oc1cccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826368687 898236848 /nfs/dbraw/zinc/23/68/48/898236848.db2.gz YTNQIHQZVWDNTB-UHFFFAOYSA-N -1 3 380.355 3.574 20 0 GHADHM FC(F)(F)Oc1cccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826368687 898236862 /nfs/dbraw/zinc/23/68/62/898236862.db2.gz YTNQIHQZVWDNTB-UHFFFAOYSA-N -1 3 380.355 3.574 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)c([O-])c1 ZINC001185978744 914241385 /nfs/dbraw/zinc/24/13/85/914241385.db2.gz QMYNGQLYLMDLFV-UHFFFAOYSA-N -1 3 386.404 3.763 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c(C)c1 ZINC001185981487 914242657 /nfs/dbraw/zinc/24/26/57/914242657.db2.gz ISFBLWCBGQBKIR-UHFFFAOYSA-N -1 3 391.386 3.862 20 0 GHADHM FC(F)(F)c1ccnc(NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000822728955 898592813 /nfs/dbraw/zinc/59/28/13/898592813.db2.gz OENRUEKJKNHTQO-UHFFFAOYSA-N -1 3 380.399 3.626 20 0 GHADHM FC(F)(F)c1ccnc(NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000822728955 898592821 /nfs/dbraw/zinc/59/28/21/898592821.db2.gz OENRUEKJKNHTQO-UHFFFAOYSA-N -1 3 380.399 3.626 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826375582 898626342 /nfs/dbraw/zinc/62/63/42/898626342.db2.gz TXLOARKRRYISEE-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826375582 898626352 /nfs/dbraw/zinc/62/63/52/898626352.db2.gz TXLOARKRRYISEE-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc(-c4ccccc4)nc3C)c2)n1 ZINC000155389495 898715523 /nfs/dbraw/zinc/71/55/23/898715523.db2.gz YLZRLBHRGRVMEK-UHFFFAOYSA-N -1 3 398.422 3.730 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000155389614 898717317 /nfs/dbraw/zinc/71/73/17/898717317.db2.gz KHICKQRSZCCNOA-UHFFFAOYSA-N -1 3 378.428 3.637 20 0 GHADHM CCN(C(=O)[C@H](C)OC(=O)c1cccc2nn[n-]c21)c1cccc2ccccc21 ZINC000800207693 898742831 /nfs/dbraw/zinc/74/28/31/898742831.db2.gz CRRQFZCBMHJOCJ-AWEZNQCLSA-N -1 3 388.427 3.710 20 0 GHADHM CCN(C(=O)[C@H](C)OC(=O)c1cccc2[n-]nnc21)c1cccc2ccccc21 ZINC000800207693 898742839 /nfs/dbraw/zinc/74/28/39/898742839.db2.gz CRRQFZCBMHJOCJ-AWEZNQCLSA-N -1 3 388.427 3.710 20 0 GHADHM CCN(C(=O)[C@H](C)OC(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC000800207693 898742855 /nfs/dbraw/zinc/74/28/55/898742855.db2.gz CRRQFZCBMHJOCJ-AWEZNQCLSA-N -1 3 388.427 3.710 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)COC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000800208439 898743371 /nfs/dbraw/zinc/74/33/71/898743371.db2.gz IHNUEYOZFYYFPC-KRWDZBQOSA-N -1 3 398.438 3.548 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)COC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000800208439 898743378 /nfs/dbraw/zinc/74/33/78/898743378.db2.gz IHNUEYOZFYYFPC-KRWDZBQOSA-N -1 3 398.438 3.548 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)COC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000800208439 898743390 /nfs/dbraw/zinc/74/33/90/898743390.db2.gz IHNUEYOZFYYFPC-KRWDZBQOSA-N -1 3 398.438 3.548 20 0 GHADHM O=C(CNc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823014873 898771106 /nfs/dbraw/zinc/77/11/06/898771106.db2.gz XFKZKYGNWOADQW-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM O=C(CNc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823014873 898771118 /nfs/dbraw/zinc/77/11/18/898771118.db2.gz XFKZKYGNWOADQW-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)s1 ZINC000569672821 898872722 /nfs/dbraw/zinc/87/27/22/898872722.db2.gz XGMGECDFYSQUAN-UHFFFAOYSA-N -1 3 392.481 3.822 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823333153 898970651 /nfs/dbraw/zinc/97/06/51/898970651.db2.gz YQRFOMRXMJPTKK-UZLBHIALSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823333153 898970658 /nfs/dbraw/zinc/97/06/58/898970658.db2.gz YQRFOMRXMJPTKK-UZLBHIALSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(OCC(F)(F)F)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823396929 899009188 /nfs/dbraw/zinc/00/91/88/899009188.db2.gz PDWPKYXIBKSQGV-UHFFFAOYSA-N -1 3 380.351 3.737 20 0 GHADHM O=C(OCC(F)(F)F)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823396929 899009202 /nfs/dbraw/zinc/00/92/02/899009202.db2.gz PDWPKYXIBKSQGV-UHFFFAOYSA-N -1 3 380.351 3.737 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000155951061 899243384 /nfs/dbraw/zinc/24/33/84/899243384.db2.gz XGLRNBCCBOSIEM-UHFFFAOYSA-N -1 3 387.274 3.644 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](OCC2CCCC2)c2ccccc2)n1 ZINC000823777006 899244786 /nfs/dbraw/zinc/24/47/86/899244786.db2.gz MYGBBFNFUFZXNB-IBGZPJMESA-N -1 3 383.492 3.790 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c(C)c1 ZINC000116159927 899252339 /nfs/dbraw/zinc/25/23/39/899252339.db2.gz XHKILUMVKQFUFN-VWLOTQADSA-N -1 3 395.546 3.852 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116221166 899257808 /nfs/dbraw/zinc/25/78/08/899257808.db2.gz HIKNQCVJQMXKGX-GOSISDBHSA-N -1 3 396.535 3.748 20 0 GHADHM Cc1ccc([C@@H](c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)C(C)C)cc1 ZINC000570318807 899261331 /nfs/dbraw/zinc/26/13/31/899261331.db2.gz LWMYEKJGTWNHDI-KRWDZBQOSA-N -1 3 386.477 3.599 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](c3cccc(C)c3)C(C)C)no2)c(C)o1 ZINC000570503483 899347908 /nfs/dbraw/zinc/34/79/08/899347908.db2.gz GXHRIOOCSYESAG-QGZVFWFLSA-N -1 3 389.477 3.642 20 0 GHADHM CC(C)(c1nnc(NCc2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000824176887 899445518 /nfs/dbraw/zinc/44/55/18/899445518.db2.gz CCDGNXXYGYEEHD-UHFFFAOYSA-N -1 3 377.477 3.656 20 0 GHADHM CC(C)(c1nnc(NCc2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000824176887 899445528 /nfs/dbraw/zinc/44/55/28/899445528.db2.gz CCDGNXXYGYEEHD-UHFFFAOYSA-N -1 3 377.477 3.656 20 0 GHADHM CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266350 899473717 /nfs/dbraw/zinc/47/37/17/899473717.db2.gz JHRUCOGQQIUMDO-HZPDHXFCSA-N -1 3 393.491 3.772 20 0 GHADHM CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266350 899473723 /nfs/dbraw/zinc/47/37/23/899473723.db2.gz JHRUCOGQQIUMDO-HZPDHXFCSA-N -1 3 393.491 3.772 20 0 GHADHM C[C@@H]1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000570682954 899504045 /nfs/dbraw/zinc/50/40/45/899504045.db2.gz VHWRTDUQWRDMDE-ATZDWAIDSA-N -1 3 377.444 3.869 20 0 GHADHM C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385700 899576266 /nfs/dbraw/zinc/57/62/66/899576266.db2.gz ZKQVOYMHZFBONC-LLVKDONJSA-N -1 3 390.369 3.715 20 0 GHADHM C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385700 899576269 /nfs/dbraw/zinc/57/62/69/899576269.db2.gz ZKQVOYMHZFBONC-LLVKDONJSA-N -1 3 390.369 3.715 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000570813269 899611104 /nfs/dbraw/zinc/61/11/04/899611104.db2.gz DDJNAVXHQZQHQX-MRXNPFEDSA-N -1 3 397.866 3.957 20 0 GHADHM C[C@@H](NC(=O)CCc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477998 899622148 /nfs/dbraw/zinc/62/21/48/899622148.db2.gz FEJCHKNLDWPLBQ-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CCc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477998 899622159 /nfs/dbraw/zinc/62/21/59/899622159.db2.gz FEJCHKNLDWPLBQ-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000824478455 899622810 /nfs/dbraw/zinc/62/28/10/899622810.db2.gz GYKWBUWTSXDIKO-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000824478455 899622818 /nfs/dbraw/zinc/62/28/18/899622818.db2.gz GYKWBUWTSXDIKO-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487707 899632362 /nfs/dbraw/zinc/63/23/62/899632362.db2.gz BZODJLLCAUFTOW-HUUCEWRRSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487707 899632366 /nfs/dbraw/zinc/63/23/66/899632366.db2.gz BZODJLLCAUFTOW-HUUCEWRRSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NCc1nnc(C2CC2)o1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824632772 899728899 /nfs/dbraw/zinc/72/88/99/899728899.db2.gz DOXAQZOZXLRADR-CYBMUJFWSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](NCc1nnc(C2CC2)o1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824632772 899728907 /nfs/dbraw/zinc/72/89/07/899728907.db2.gz DOXAQZOZXLRADR-CYBMUJFWSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000824656542 899740507 /nfs/dbraw/zinc/74/05/07/899740507.db2.gz LLSBIXCNQHUOJH-SECBINFHSA-N -1 3 388.225 3.531 20 0 GHADHM C[C@@H](Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000824656542 899740514 /nfs/dbraw/zinc/74/05/14/899740514.db2.gz LLSBIXCNQHUOJH-SECBINFHSA-N -1 3 388.225 3.531 20 0 GHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000332532352 899742305 /nfs/dbraw/zinc/74/23/05/899742305.db2.gz GPWOQBSSTGWTOH-UHFFFAOYSA-N -1 3 381.476 3.814 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000824757566 899809767 /nfs/dbraw/zinc/80/97/67/899809767.db2.gz XXQBDOYWLYOSOQ-SSDOTTSWSA-N -1 3 382.371 3.999 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000824757566 899809771 /nfs/dbraw/zinc/80/97/71/899809771.db2.gz XXQBDOYWLYOSOQ-SSDOTTSWSA-N -1 3 382.371 3.999 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826404280 899831898 /nfs/dbraw/zinc/83/18/98/899831898.db2.gz UWXDUULDLBETAE-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826404280 899831909 /nfs/dbraw/zinc/83/19/09/899831909.db2.gz UWXDUULDLBETAE-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000571452948 899873974 /nfs/dbraw/zinc/87/39/74/899873974.db2.gz LRXYMIJLWLNTGT-CYBMUJFWSA-N -1 3 385.361 3.656 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000824946134 899901070 /nfs/dbraw/zinc/90/10/70/899901070.db2.gz HWTPMHOWMSZQAY-DIFFPNOSSA-N -1 3 385.830 3.883 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000824946134 899901077 /nfs/dbraw/zinc/90/10/77/899901077.db2.gz HWTPMHOWMSZQAY-DIFFPNOSSA-N -1 3 385.830 3.883 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@@H]2CCCC[C@H]21 ZINC000824977936 899924735 /nfs/dbraw/zinc/92/47/35/899924735.db2.gz SYEIXGLKGMJRAE-SCDSUCTJSA-N -1 3 392.410 3.511 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@@H]2CCCC[C@H]21 ZINC000824977936 899924742 /nfs/dbraw/zinc/92/47/42/899924742.db2.gz SYEIXGLKGMJRAE-SCDSUCTJSA-N -1 3 392.410 3.511 20 0 GHADHM CC[C@H](NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000825139366 900002137 /nfs/dbraw/zinc/00/21/37/900002137.db2.gz FHVITOIAGRVCFD-LBPRGKRZSA-N -1 3 393.929 3.524 20 0 GHADHM CC[C@H](NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000825139366 900002147 /nfs/dbraw/zinc/00/21/47/900002147.db2.gz FHVITOIAGRVCFD-LBPRGKRZSA-N -1 3 393.929 3.524 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1nc(C)c(C)s1)c1nc(C(F)(F)F)cs1 ZINC000333187561 900021237 /nfs/dbraw/zinc/02/12/37/900021237.db2.gz USDASOWEZMJCCR-QMMMGPOBSA-N -1 3 385.458 3.665 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825333242 900100082 /nfs/dbraw/zinc/10/00/82/900100082.db2.gz TVYXKHVUQADIQM-KBPBESRZSA-N -1 3 382.493 3.801 20 0 GHADHM CC(C)OC1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000825368475 900129170 /nfs/dbraw/zinc/12/91/70/900129170.db2.gz BKEDLNXKELLJGZ-CQSZACIVSA-N -1 3 398.425 3.533 20 0 GHADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)n1 ZINC000572371201 900161261 /nfs/dbraw/zinc/16/12/61/900161261.db2.gz REKXWNAVHFUSAR-UHFFFAOYSA-N -1 3 385.898 3.768 20 0 GHADHM CCOC(=O)[C@@H](CC)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825486237 900187772 /nfs/dbraw/zinc/18/77/72/900187772.db2.gz PFHNJYHDZBGGCB-AUUYWEPGSA-N -1 3 379.464 3.526 20 0 GHADHM CCOC(=O)[C@@H](CC)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825486237 900187783 /nfs/dbraw/zinc/18/77/83/900187783.db2.gz PFHNJYHDZBGGCB-AUUYWEPGSA-N -1 3 379.464 3.526 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1c(F)cccc1F ZINC000826420935 900223796 /nfs/dbraw/zinc/22/37/96/900223796.db2.gz JTIIFLLXMUUNAN-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1c(F)cccc1F ZINC000826420935 900223810 /nfs/dbraw/zinc/22/38/10/900223810.db2.gz JTIIFLLXMUUNAN-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM CC(C)CNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000025690353 900235121 /nfs/dbraw/zinc/23/51/21/900235121.db2.gz UTUQPAMKOMFWDD-NSHDSACASA-N -1 3 391.518 3.639 20 0 GHADHM CN(C)c1nc([O-])c(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000028757131 900387998 /nfs/dbraw/zinc/38/79/98/900387998.db2.gz OVLIABVWEWWWLO-JTQLQIEISA-N -1 3 380.684 3.535 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)ccc2c1 ZINC001143744080 900465336 /nfs/dbraw/zinc/46/53/36/900465336.db2.gz INZJBZGQLISVNK-LBPRGKRZSA-N -1 3 389.411 3.945 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000135993419 900552436 /nfs/dbraw/zinc/55/24/36/900552436.db2.gz SZAGDFOXDCEHNZ-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM O=C(Nc1c[nH]nc1-c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826452171 900608212 /nfs/dbraw/zinc/60/82/12/900608212.db2.gz JWEQQOJMPQOBPS-UHFFFAOYSA-N -1 3 380.799 3.554 20 0 GHADHM O=C(Nc1c[nH]nc1-c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826452171 900608217 /nfs/dbraw/zinc/60/82/17/900608217.db2.gz JWEQQOJMPQOBPS-UHFFFAOYSA-N -1 3 380.799 3.554 20 0 GHADHM O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000826454651 900628921 /nfs/dbraw/zinc/62/89/21/900628921.db2.gz FHIMXRCLGYLMLN-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000826454651 900628928 /nfs/dbraw/zinc/62/89/28/900628928.db2.gz FHIMXRCLGYLMLN-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Nc1csc2ccccc12)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826459756 900670685 /nfs/dbraw/zinc/67/06/85/900670685.db2.gz YHXOSNPJJKDAEK-KRWDZBQOSA-N -1 3 390.472 3.689 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1coc(-c2ccccc2Cl)n1 ZINC000826466064 900706200 /nfs/dbraw/zinc/70/62/00/900706200.db2.gz NZEGZLYEOXQSEI-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1coc(-c2ccccc2Cl)n1 ZINC000826466064 900706211 /nfs/dbraw/zinc/70/62/11/900706211.db2.gz NZEGZLYEOXQSEI-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000886123856 900804948 /nfs/dbraw/zinc/80/49/48/900804948.db2.gz HUQWFGOZLHKPLQ-SFHVURJKSA-N -1 3 385.485 3.605 20 0 GHADHM CSc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1C ZINC000290007807 914479578 /nfs/dbraw/zinc/47/95/78/914479578.db2.gz DPFASZJWTLXIHA-LBPRGKRZSA-N -1 3 389.443 3.639 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826473624 900835870 /nfs/dbraw/zinc/83/58/70/900835870.db2.gz GXDBPWKLNLJRAO-MRXNPFEDSA-N -1 3 391.500 3.890 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826473624 900835878 /nfs/dbraw/zinc/83/58/78/900835878.db2.gz GXDBPWKLNLJRAO-MRXNPFEDSA-N -1 3 391.500 3.890 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)CCCC1 ZINC000574562625 900931945 /nfs/dbraw/zinc/93/19/45/900931945.db2.gz BMZJLMYWOWMBEK-UHFFFAOYSA-N -1 3 394.518 3.594 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2N(C)Cc2ccccc2)c(=O)[n-]1 ZINC000063599470 900951756 /nfs/dbraw/zinc/95/17/56/900951756.db2.gz XJSRJAOGIQCYNL-UHFFFAOYSA-N -1 3 390.487 3.594 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc(Cl)c1OC ZINC001144112819 901076876 /nfs/dbraw/zinc/07/68/76/901076876.db2.gz USWRSMXUYXSZHK-UHFFFAOYSA-N -1 3 390.798 3.899 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1cc(=O)c([O-])co1)C(F)(F)F ZINC000091710066 901454300 /nfs/dbraw/zinc/45/43/00/901454300.db2.gz DHCWEGKOZGBNDX-GOSISDBHSA-N -1 3 393.365 3.541 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO ZINC000575957050 901517513 /nfs/dbraw/zinc/51/75/13/901517513.db2.gz NMHJQCGLFFCFQE-MRXNPFEDSA-N -1 3 397.493 3.980 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)n(-c2ccccc2)n1 ZINC000576064418 901640899 /nfs/dbraw/zinc/64/08/99/901640899.db2.gz IAUGXSIQBXUPOM-UHFFFAOYSA-N -1 3 385.836 3.620 20 0 GHADHM Cc1cc(C)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(OCc2ccccc2)n1 ZINC000576352949 901968623 /nfs/dbraw/zinc/96/86/23/901968623.db2.gz JUMMOOVBXZQCOA-FQEVSTJZSA-N -1 3 380.488 3.964 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC4)cc2C[C@@H]1C ZINC000333389256 902056632 /nfs/dbraw/zinc/05/66/32/902056632.db2.gz GRMNXDNXFWUBDS-AWEZNQCLSA-N -1 3 384.501 3.664 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1)C(F)(F)F ZINC000290268716 914603636 /nfs/dbraw/zinc/60/36/36/914603636.db2.gz BRTDIZOCEGEXKW-FAEJEUNOSA-N -1 3 396.453 3.878 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000576728551 902220891 /nfs/dbraw/zinc/22/08/91/902220891.db2.gz MQFMMMDCMOVWIN-MRVPVSSYSA-N -1 3 394.415 3.829 20 0 GHADHM COC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCCC1 ZINC000576803994 902273140 /nfs/dbraw/zinc/27/31/40/902273140.db2.gz YTYBQOPAAPWYCV-UHFFFAOYSA-N -1 3 388.489 3.694 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1C(=O)N1CCSCC1 ZINC000290292567 914614324 /nfs/dbraw/zinc/61/43/24/914614324.db2.gz DKOWWPPMIVFVMQ-UHFFFAOYSA-N -1 3 390.892 3.795 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c(F)cc([O-])cc3F)CC[C@@H]2C1 ZINC001144544728 902326857 /nfs/dbraw/zinc/32/68/57/902326857.db2.gz FAOPIIKJGHKJBV-OKILXGFUSA-N -1 3 382.451 3.749 20 0 GHADHM CCOC(=O)/C=C/c1ccc(Cl)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631007 902536493 /nfs/dbraw/zinc/53/64/93/902536493.db2.gz BMARMBOMUBIIRO-VMPITWQZSA-N -1 3 377.799 3.942 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(-c2cnco2)c(OC(F)F)c1 ZINC001144631756 902537478 /nfs/dbraw/zinc/53/74/78/902537478.db2.gz YOJIOFAIUGZADE-UHFFFAOYSA-N -1 3 378.306 3.969 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144654436 902566917 /nfs/dbraw/zinc/56/69/17/902566917.db2.gz LDUNSMGZHQQDOU-QFIPXVFZSA-N -1 3 384.426 3.571 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000846243217 902819063 /nfs/dbraw/zinc/81/90/63/902819063.db2.gz DPTGMDRGELMRBP-KKCDMYQCSA-N -1 3 399.462 3.984 20 0 GHADHM CCCOc1ccc(Br)cc1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000846280761 902844246 /nfs/dbraw/zinc/84/42/46/902844246.db2.gz HMZVDFQKJTXLJE-KSSFIOAISA-N -1 3 382.298 3.925 20 0 GHADHM O=C(NCc1cccc(Oc2ccccc2F)c1)c1cc(F)cc2n[n-]nc21 ZINC001144788261 902925314 /nfs/dbraw/zinc/92/53/14/902925314.db2.gz QVPNAXKLMHXDTG-UHFFFAOYSA-N -1 3 380.354 3.958 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000887568763 902939523 /nfs/dbraw/zinc/93/95/23/902939523.db2.gz DEIVWVVACQKVIB-UHFFFAOYSA-N -1 3 378.270 3.649 20 0 GHADHM O=S(=O)([N-]c1cncnc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC001186633451 914693124 /nfs/dbraw/zinc/69/31/24/914693124.db2.gz LCRDTLVAEFTBSW-UHFFFAOYSA-N -1 3 375.837 3.510 20 0 GHADHM O=S(=O)([N-]c1ccc(F)nc1F)c1ccc(OCc2ccccc2)cc1 ZINC001186634952 914696880 /nfs/dbraw/zinc/69/68/80/914696880.db2.gz JWRNQHAFVDFCKR-UHFFFAOYSA-N -1 3 376.384 3.740 20 0 GHADHM COCC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000578025488 903454479 /nfs/dbraw/zinc/45/44/79/903454479.db2.gz VGCOLJSADOGTRC-CQSZACIVSA-N -1 3 396.274 3.874 20 0 GHADHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC001147104392 903697949 /nfs/dbraw/zinc/69/79/49/903697949.db2.gz UQESCMZHUITXEO-HNNXBMFYSA-N -1 3 389.293 3.549 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(Br)n1 ZINC001186677639 914746673 /nfs/dbraw/zinc/74/66/73/914746673.db2.gz JVNVYSHUDDFYSG-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001147527936 903824533 /nfs/dbraw/zinc/82/45/33/903824533.db2.gz SUQCOWDRJNIFRY-QGZVFWFLSA-N -1 3 389.377 3.945 20 0 GHADHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC001186741770 914758827 /nfs/dbraw/zinc/75/88/27/914758827.db2.gz IEGAGXCXMYTSRK-JBEBIEQOSA-N -1 3 398.575 3.851 20 0 GHADHM COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)cc2[O-])CSC3)cc1 ZINC001148492816 904094927 /nfs/dbraw/zinc/09/49/27/904094927.db2.gz UGNGZHWZPCFQTL-UHFFFAOYSA-N -1 3 381.457 3.894 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000578786957 904121447 /nfs/dbraw/zinc/12/14/47/904121447.db2.gz FNBINZRISRPUAV-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000579096126 904346571 /nfs/dbraw/zinc/34/65/71/904346571.db2.gz QIPYUHPKYBHFDM-HNNXBMFYSA-N -1 3 395.477 3.511 20 0 GHADHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Nc1c(Cl)cc(Cl)cc1Cl ZINC000036772937 904516652 /nfs/dbraw/zinc/51/66/52/904516652.db2.gz GAXHVNCUKFFNLO-UHFFFAOYSA-N -1 3 396.639 3.860 20 0 GHADHM O=C(NCC[C@H]1CC=CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001171556684 904826496 /nfs/dbraw/zinc/82/64/96/904826496.db2.gz HHNBAFAATFESNG-LBPRGKRZSA-N -1 3 375.266 3.767 20 0 GHADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)[N-]OC[C@H]1CCOC1 ZINC000188017721 904861516 /nfs/dbraw/zinc/86/15/16/904861516.db2.gz ZSHXASISBYNEPP-KRWDZBQOSA-N -1 3 375.852 3.546 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000646798622 914856651 /nfs/dbraw/zinc/85/66/51/914856651.db2.gz FUDVVHKTRLAMFJ-SNVBAGLBSA-N -1 3 378.350 3.787 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)c2ccccc21)C(F)(F)F ZINC001171914456 905144512 /nfs/dbraw/zinc/14/45/12/905144512.db2.gz BAVQIXOYFKAUSP-HIFRSBDPSA-N -1 3 380.410 3.766 20 0 GHADHM O=C([N-]c1cccc(S(=O)(=O)C2CCCCC2)c1)c1ocnc1C(F)F ZINC000627519943 905591747 /nfs/dbraw/zinc/59/17/47/905591747.db2.gz OYPWAXXCDAQAAI-UHFFFAOYSA-N -1 3 384.404 3.971 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H](C3CCC3)C3CCCC3)c(=O)c2c(OC)c1 ZINC000627914344 905830586 /nfs/dbraw/zinc/83/05/86/905830586.db2.gz UPCXGVCAKNFIOA-FQEVSTJZSA-N -1 3 384.476 3.634 20 0 GHADHM N#CC(=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190926090 906449530 /nfs/dbraw/zinc/44/95/30/906449530.db2.gz QIEWQRSATBCXMK-HNNXBMFYSA-N -1 3 387.399 3.628 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1OC ZINC000629330918 906712568 /nfs/dbraw/zinc/71/25/68/906712568.db2.gz FRYXQQMQCBNKMF-UHFFFAOYSA-N -1 3 395.477 3.610 20 0 GHADHM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(CN2CCCCC2)c1 ZINC000629380338 906750307 /nfs/dbraw/zinc/75/03/07/906750307.db2.gz LURGMBFDOIZTPU-UHFFFAOYSA-N -1 3 376.460 3.816 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)ccc1OCc1ccccc1 ZINC001174445162 907039055 /nfs/dbraw/zinc/03/90/55/907039055.db2.gz ZBQNPMGTKKAONF-UHFFFAOYSA-N -1 3 384.457 3.657 20 0 GHADHM COc1ccc([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)c(OC)c1 ZINC001174680032 907144463 /nfs/dbraw/zinc/14/44/63/907144463.db2.gz BAZNNHMAEZNZHV-LBPRGKRZSA-N -1 3 379.416 3.950 20 0 GHADHM O=C([O-])C[C@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCCCC1 ZINC000630471424 907298156 /nfs/dbraw/zinc/29/81/56/907298156.db2.gz BPMMTPKHLPEUQM-CQSZACIVSA-N -1 3 394.878 3.821 20 0 GHADHM Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000630731961 907376807 /nfs/dbraw/zinc/37/68/07/907376807.db2.gz OXGHLMSYELCVAP-VIFPVBQESA-N -1 3 383.267 3.676 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)s1 ZINC000630799757 907427115 /nfs/dbraw/zinc/42/71/15/907427115.db2.gz PRNYGNQFHCYDKP-UHFFFAOYSA-N -1 3 384.387 3.503 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)nc1Cl ZINC000183843984 907465416 /nfs/dbraw/zinc/46/54/16/907465416.db2.gz RGHXXAPQLHLDGA-CHWSQXEVSA-N -1 3 387.288 3.587 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](n2cc(Nc3c(F)ccc([O-])c3F)cn2)C1 ZINC001175265600 907475784 /nfs/dbraw/zinc/47/57/84/907475784.db2.gz HYJXHGOMCFYWRU-LBPRGKRZSA-N -1 3 380.395 3.792 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)nc2)n1 ZINC000631494040 907731873 /nfs/dbraw/zinc/73/18/73/907731873.db2.gz BYYOIVMUBXKRCT-NMLACTOBSA-N -1 3 396.535 3.963 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(-c2ccccn2)cc1)OCC ZINC001176037180 907898148 /nfs/dbraw/zinc/89/81/48/907898148.db2.gz MROQBIYCYLQHMX-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)c(=O)[n-]1 ZINC000186960218 908011398 /nfs/dbraw/zinc/01/13/98/908011398.db2.gz MKMHXMFNDBWMPK-JOCHJYFZSA-N -1 3 387.483 3.790 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)n1 ZINC000632464985 908040718 /nfs/dbraw/zinc/04/07/18/908040718.db2.gz DNMJXWFKJSVXDE-LBPRGKRZSA-N -1 3 377.491 3.541 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ncc(C(C)(C)C)o3)c2)n1 ZINC000187556318 908106522 /nfs/dbraw/zinc/10/65/22/908106522.db2.gz UBOAAZWTFRAQPF-UHFFFAOYSA-N -1 3 394.475 3.856 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1C ZINC000901597197 921383916 /nfs/dbraw/zinc/38/39/16/921383916.db2.gz AWVZROXKYKVRNQ-UHFFFAOYSA-N -1 3 386.926 3.829 20 0 GHADHM O=C([O-])C[C@H](NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000901609900 921395581 /nfs/dbraw/zinc/39/55/81/921395581.db2.gz SFEZSTYUFGWKMO-SFHVURJKSA-N -1 3 390.277 3.827 20 0 GHADHM COc1ccc(-c2nc(CC(=O)Nc3ccc4[nH][n-]c(=O)c4c3)cs2)cc1 ZINC001177145642 908425019 /nfs/dbraw/zinc/42/50/19/908425019.db2.gz PWEIBTMTBPDTGX-UHFFFAOYSA-N -1 3 380.429 3.582 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CSc2cncc(Cl)n2)c([O-])c1 ZINC001177470916 908583291 /nfs/dbraw/zinc/58/32/91/908583291.db2.gz RAPOWTXETIPLND-UHFFFAOYSA-N -1 3 395.868 3.522 20 0 GHADHM CCCN1CCN(c2ccccc2CNc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000901639829 921425258 /nfs/dbraw/zinc/42/52/58/921425258.db2.gz PLKKDJWCMBQRTA-UHFFFAOYSA-N -1 3 381.520 3.848 20 0 GHADHM CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001177875151 908770320 /nfs/dbraw/zinc/77/03/20/908770320.db2.gz MJACIRFWGGIFJH-MOPGFXCFSA-N -1 3 388.556 3.962 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192529266 908795854 /nfs/dbraw/zinc/79/58/54/908795854.db2.gz FULRSYHXZJFFTA-LLVKDONJSA-N -1 3 383.279 3.819 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](Cn3cncn3)c3ccc(Cl)cc3)n[n-]2)o1 ZINC000194414595 908881176 /nfs/dbraw/zinc/88/11/76/908881176.db2.gz ITQLRJMUAJUGCC-GOSISDBHSA-N -1 3 397.822 3.821 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](Cn3cncn3)c3ccc(Cl)cc3)[n-]n2)o1 ZINC000194414595 908881186 /nfs/dbraw/zinc/88/11/86/908881186.db2.gz ITQLRJMUAJUGCC-GOSISDBHSA-N -1 3 397.822 3.821 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000299564114 921453458 /nfs/dbraw/zinc/45/34/58/921453458.db2.gz YNHOJDGYGBGHIV-LJQANCHMSA-N -1 3 380.492 3.666 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2cnn3c2nccc3-c2cccnc2)s1 ZINC000635406853 909237605 /nfs/dbraw/zinc/23/76/05/909237605.db2.gz TZCPWDFLTSRLOL-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3nnc(C4CC4)s3)nc(=O)c2c1C ZINC000266845464 909318774 /nfs/dbraw/zinc/31/87/74/909318774.db2.gz OMRIARRYRKWPLP-UHFFFAOYSA-N -1 3 394.503 3.513 20 0 GHADHM CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000267234201 909423097 /nfs/dbraw/zinc/42/30/97/909423097.db2.gz QKNSODYJNKKVCT-ZDUSSCGKSA-N -1 3 383.404 3.547 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 ZINC000636112590 909433085 /nfs/dbraw/zinc/43/30/85/909433085.db2.gz AUNQDLNZNPUGFA-UHFFFAOYSA-N -1 3 379.485 3.983 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2ccc(Br)c(C)c2)n1 ZINC000636115083 909435569 /nfs/dbraw/zinc/43/55/69/909435569.db2.gz NIBIJJCZAHNEJZ-UHFFFAOYSA-N -1 3 392.297 3.546 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cnc(-c2ccccc2F)s1 ZINC000636319296 909537318 /nfs/dbraw/zinc/53/73/18/909537318.db2.gz PZBNCKWEHGBZQQ-UHFFFAOYSA-N -1 3 384.436 3.642 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000636318784 909537721 /nfs/dbraw/zinc/53/77/21/909537721.db2.gz FWQVUDDUGAUWCB-UHFFFAOYSA-N -1 3 391.393 3.817 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000636319428 909539999 /nfs/dbraw/zinc/53/99/99/909539999.db2.gz RHICNJMOQOTMML-UHFFFAOYSA-N -1 3 398.463 3.566 20 0 GHADHM Cc1conc1C(=O)[N-]c1sc2c(c1C(=O)c1ccc(C)cc1)CCOC2 ZINC000637114412 909723988 /nfs/dbraw/zinc/72/39/88/909723988.db2.gz FYFKMHKTZWXZRE-UHFFFAOYSA-N -1 3 382.441 3.909 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000637376251 909797607 /nfs/dbraw/zinc/79/76/07/909797607.db2.gz KIISFSDLRDKICG-VXGBXAGGSA-N -1 3 375.753 3.792 20 0 GHADHM CCOCCC1(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCCC1 ZINC001179954985 909866494 /nfs/dbraw/zinc/86/64/94/909866494.db2.gz PVNBARAAGIDYPK-UHFFFAOYSA-N -1 3 385.464 3.692 20 0 GHADHM CCOCCC1(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCCC1 ZINC001179954985 909866501 /nfs/dbraw/zinc/86/65/01/909866501.db2.gz PVNBARAAGIDYPK-UHFFFAOYSA-N -1 3 385.464 3.692 20 0 GHADHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001180029083 909898942 /nfs/dbraw/zinc/89/89/42/909898942.db2.gz YKBGWLYNUPMQHT-IZCOPSDLSA-N -1 3 386.540 3.510 20 0 GHADHM Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000637689815 909928107 /nfs/dbraw/zinc/92/81/07/909928107.db2.gz PNCVCGMXMIVQKK-UHFFFAOYSA-N -1 3 391.855 3.507 20 0 GHADHM CCc1ccc(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c([O-])c1 ZINC001180371628 910127716 /nfs/dbraw/zinc/12/77/16/910127716.db2.gz KIBRAHQWFCOGAL-UHFFFAOYSA-N -1 3 388.508 3.864 20 0 GHADHM CCOc1cc(CN2CCN(c3cccc(OC)c3)CC2)cc(Cl)c1[O-] ZINC001180519785 910196347 /nfs/dbraw/zinc/19/63/47/910196347.db2.gz BDFUPSPTZFXJMK-UHFFFAOYSA-N -1 3 376.884 3.775 20 0 GHADHM CCCc1cc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc(=O)[nH]1 ZINC001180844458 910376409 /nfs/dbraw/zinc/37/64/09/910376409.db2.gz UWHLURHQQMFHBD-UHFFFAOYSA-N -1 3 383.477 3.711 20 0 GHADHM COc1ccc([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)c(Br)c1[O-] ZINC000639423640 910427069 /nfs/dbraw/zinc/42/70/69/910427069.db2.gz HQLWRUANZLOSOB-MRXNPFEDSA-N -1 3 397.313 3.563 20 0 GHADHM CSc1[n-]nc(NC(=O)CCc2ccc(Oc3ccccc3)cc2)c1C(N)=O ZINC001180930244 910432962 /nfs/dbraw/zinc/43/29/62/910432962.db2.gz UPTYYAPRIPKPIF-UHFFFAOYSA-N -1 3 396.472 3.594 20 0 GHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000270101032 910439858 /nfs/dbraw/zinc/43/98/58/910439858.db2.gz LUSIOBFJLBBEHM-INIZCTEOSA-N -1 3 386.455 3.903 20 0 GHADHM C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000639819377 910692661 /nfs/dbraw/zinc/69/26/61/910692661.db2.gz BFUKNYRUZXADDA-QAPCUYQASA-N -1 3 391.475 3.675 20 0 GHADHM COc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000270839549 910714715 /nfs/dbraw/zinc/71/47/15/910714715.db2.gz UXMXVVIDEBSCOT-KKSFZXQISA-N -1 3 385.460 3.616 20 0 GHADHM CC(C)CCOC1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640291677 910952841 /nfs/dbraw/zinc/95/28/41/910952841.db2.gz DDNOLCKZQKOHJR-UHFFFAOYSA-N -1 3 396.841 3.580 20 0 GHADHM CCN(CCc1cccs1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292860 910955176 /nfs/dbraw/zinc/95/51/76/910955176.db2.gz PEWDTRKQXLDJSC-UHFFFAOYSA-N -1 3 380.823 3.679 20 0 GHADHM Cc1cc(F)ccc1CN(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297274 910959069 /nfs/dbraw/zinc/95/90/69/910959069.db2.gz BKWZWPWUYABYMK-UHFFFAOYSA-N -1 3 378.757 3.632 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCc2cccc(Cl)c2C1 ZINC000640299453 910960131 /nfs/dbraw/zinc/96/01/31/910960131.db2.gz TUPCZJWTUSLHFW-UHFFFAOYSA-N -1 3 393.196 3.764 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640310642 910963255 /nfs/dbraw/zinc/96/32/55/910963255.db2.gz RLHDHDIBOFZHGJ-OAHLLOKOSA-N -1 3 377.286 3.672 20 0 GHADHM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640314132 910965635 /nfs/dbraw/zinc/96/56/35/910965635.db2.gz CODYGPKLQMGLGZ-WFASDCNBSA-N -1 3 377.286 3.610 20 0 GHADHM CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC001181888823 911062950 /nfs/dbraw/zinc/06/29/50/911062950.db2.gz VPMUYVYKIMGYSE-UHFFFAOYSA-N -1 3 382.888 3.907 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc(OC)c1[O-] ZINC000273903100 911096220 /nfs/dbraw/zinc/09/62/20/911096220.db2.gz XXXFLKJNBQQKDI-HNNXBMFYSA-N -1 3 387.432 3.660 20 0 GHADHM COc1cc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000366502485 921653755 /nfs/dbraw/zinc/65/37/55/921653755.db2.gz YFZOMTBQKOUYAX-MRXNPFEDSA-N -1 3 388.851 3.606 20 0 GHADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1n[n-]c(-c2ccco2)n1 ZINC000641893518 911575007 /nfs/dbraw/zinc/57/50/07/911575007.db2.gz YZFUHXPZGGABSN-UHFFFAOYSA-N -1 3 378.388 3.707 20 0 GHADHM Cn1cnc2cc(CN[C@H](CC(=O)[O-])c3cccc(C(F)(F)F)c3)ccc21 ZINC000283776199 911642947 /nfs/dbraw/zinc/64/29/47/911642947.db2.gz CRXXTYDZTUBUBF-OAHLLOKOSA-N -1 3 377.366 3.898 20 0 GHADHM O=c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)[n-]c2sc3c(c21)CCC3 ZINC000642024468 911674639 /nfs/dbraw/zinc/67/46/39/911674639.db2.gz RFQOBYYPZJFZGG-UHFFFAOYSA-N -1 3 394.905 3.654 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2c(C(F)(F)F)nc3n2CCCC3)C[C@@H]1c1ccccc1 ZINC000901886173 921692985 /nfs/dbraw/zinc/69/29/85/921692985.db2.gz CWKYLPAUFXIRFF-HUUCEWRRSA-N -1 3 393.409 3.538 20 0 GHADHM O=C(NCc1ccc(-n2ccnc2)cc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001182511331 911822117 /nfs/dbraw/zinc/82/21/17/911822117.db2.gz XHFRCXRDVVNNCC-UHFFFAOYSA-N -1 3 378.819 3.710 20 0 GHADHM O=C(Nc1ncccc1OC(F)F)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001182568017 911873451 /nfs/dbraw/zinc/87/34/51/911873451.db2.gz CYJBWOQNDRNWOR-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM CCCCOc1ccc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC001182568323 911874863 /nfs/dbraw/zinc/87/48/63/911874863.db2.gz IKTVBQKYVXQXPH-UHFFFAOYSA-N -1 3 392.496 3.700 20 0 GHADHM C[C@@H](N[C@H]1CCc2cccc(Br)c2C1)c1ncc(C(=O)[O-])s1 ZINC000901909350 921726568 /nfs/dbraw/zinc/72/65/68/921726568.db2.gz YNUQKCNNEZYVLW-KOLCDFICSA-N -1 3 381.295 3.812 20 0 GHADHM COC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCOCC1 ZINC000285203331 912205871 /nfs/dbraw/zinc/20/58/71/912205871.db2.gz JDXBUTKIOCAYFS-UHFFFAOYSA-N -1 3 384.457 3.803 20 0 GHADHM C[C@H](NC1CCN(Cc2ccccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC000901913070 921728696 /nfs/dbraw/zinc/72/86/96/921728696.db2.gz VNYWIRBQNXMUEB-LBPRGKRZSA-N -1 3 379.913 3.810 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1-c1nnn[n-]1 ZINC001187008622 914938031 /nfs/dbraw/zinc/93/80/31/914938031.db2.gz GYVYYFUEFJICHJ-UHFFFAOYSA-N -1 3 377.404 3.551 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1-c1nn[n-]n1 ZINC001187008622 914938042 /nfs/dbraw/zinc/93/80/42/914938042.db2.gz GYVYYFUEFJICHJ-UHFFFAOYSA-N -1 3 377.404 3.551 20 0 GHADHM O=S(=O)([N-]c1ccc(F)nc1Br)c1cc2c(s1)CCCC2 ZINC001187184672 915075749 /nfs/dbraw/zinc/07/57/49/915075749.db2.gz IIALVNXDUNEDJG-UHFFFAOYSA-N -1 3 391.287 3.724 20 0 GHADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC001187240938 915107268 /nfs/dbraw/zinc/10/72/68/915107268.db2.gz JIYUZCWNUSJCKY-GFCCVEGCSA-N -1 3 386.286 3.979 20 0 GHADHM C[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1)c1nc(C2CCCCC2)no1 ZINC001187453850 915260409 /nfs/dbraw/zinc/26/04/09/915260409.db2.gz MPBSXWHVYPWQQF-VUCTXSBTSA-N -1 3 393.484 3.793 20 0 GHADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])cccc1N1CCOCC1 ZINC001187480350 915303849 /nfs/dbraw/zinc/30/38/49/915303849.db2.gz AHKCVHOWYXIKJL-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1cnc2cc(C3CC3)nn2c1 ZINC001187616481 915385499 /nfs/dbraw/zinc/38/54/99/915385499.db2.gz BVCYZOUKUURCOW-UHFFFAOYSA-N -1 3 392.484 3.744 20 0 GHADHM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800699 915389600 /nfs/dbraw/zinc/38/96/00/915389600.db2.gz AJZNHWSCHHAGKK-UHFFFAOYSA-N -1 3 385.221 3.694 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000647801779 915391709 /nfs/dbraw/zinc/39/17/09/915391709.db2.gz UWMGSZAHSBHMPV-UHFFFAOYSA-N -1 3 398.220 3.673 20 0 GHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1csnc1-c1ccccc1 ZINC000647900113 915431018 /nfs/dbraw/zinc/43/10/18/915431018.db2.gz IUJHVFALISNXDI-QGZVFWFLSA-N -1 3 388.514 3.602 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)ccc1Br ZINC000647919318 915438545 /nfs/dbraw/zinc/43/85/45/915438545.db2.gz WVFCGUWLMBFANW-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CCC1)c1cnc(Cl)c(Cl)c1 ZINC001188098279 915755552 /nfs/dbraw/zinc/75/55/52/915755552.db2.gz PIAZMPVECLENNT-UHFFFAOYSA-N -1 3 375.252 3.885 20 0 GHADHM Cc1cncc(C[N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)c1 ZINC001188168260 915789691 /nfs/dbraw/zinc/78/96/91/915789691.db2.gz XQAXHORIUJRBKS-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM Cc1cc(C[N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)ccn1 ZINC001188195203 915803767 /nfs/dbraw/zinc/80/37/67/915803767.db2.gz AKWRXVLWVRQZKI-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001188203804 915810181 /nfs/dbraw/zinc/81/01/81/915810181.db2.gz BBGBJJNFSWCWKC-INIZCTEOSA-N -1 3 389.945 3.558 20 0 GHADHM C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CC(F)F ZINC000648961763 915950038 /nfs/dbraw/zinc/95/00/38/915950038.db2.gz JYGOMKLZYAZHLB-KDOFPFPSSA-N -1 3 390.430 3.661 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccc(F)cc2O1 ZINC001188460480 915985597 /nfs/dbraw/zinc/98/55/97/915985597.db2.gz QYKPHTPZARFKDF-AWEZNQCLSA-N -1 3 389.370 3.824 20 0 GHADHM Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCc2c(C)nc(C)[n-]c2=O)cs1 ZINC000360270729 916036777 /nfs/dbraw/zinc/03/67/77/916036777.db2.gz LMRRGDVOOZPISX-UHFFFAOYSA-N -1 3 394.500 3.753 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 ZINC000649140589 916037364 /nfs/dbraw/zinc/03/73/64/916037364.db2.gz ZSXLNIHPPWLHBG-IBGZPJMESA-N -1 3 395.459 3.758 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Cl)c1cc(F)c(Br)c(F)c1 ZINC001189043490 916364595 /nfs/dbraw/zinc/36/45/95/916364595.db2.gz XLGOXDSRXVOKEZ-UHFFFAOYSA-N -1 3 398.612 3.887 20 0 GHADHM CN(C)c1nc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(=O)[n-]1 ZINC001189095660 916401486 /nfs/dbraw/zinc/40/14/86/916401486.db2.gz VPAZJMDFBMCLCF-UHFFFAOYSA-N -1 3 375.738 3.564 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1ccncc1Oc1ccccc1 ZINC001189273176 916529374 /nfs/dbraw/zinc/52/93/74/916529374.db2.gz VASFOFBDPPVCBP-UHFFFAOYSA-N -1 3 376.384 3.516 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001189383214 916579912 /nfs/dbraw/zinc/57/99/12/916579912.db2.gz INNGMVGXKVPAFI-KGLIPLIRSA-N -1 3 391.880 3.566 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(-c2ccsc2)c1 ZINC001189360967 916598119 /nfs/dbraw/zinc/59/81/19/916598119.db2.gz ATIWBULPANIHNY-UHFFFAOYSA-N -1 3 384.413 3.569 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC001189452405 916655688 /nfs/dbraw/zinc/65/56/88/916655688.db2.gz OURXBNMIPDEDCN-UHFFFAOYSA-N -1 3 390.374 3.573 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc4c3OCCC4)cc21 ZINC000650198558 916790429 /nfs/dbraw/zinc/79/04/29/916790429.db2.gz AVHITTRQHPKEPF-UHFFFAOYSA-N -1 3 377.849 3.595 20 0 GHADHM O=c1cc(Cn2nc(-c3ccc(Cl)s3)ccc2=O)nc(-c2ccccc2)[n-]1 ZINC001189651097 916812236 /nfs/dbraw/zinc/81/22/36/916812236.db2.gz YKJWJJPZRGVJNL-UHFFFAOYSA-N -1 3 396.859 3.836 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]Cc1nc(-c2ccccc2)cs1 ZINC001189709991 916853175 /nfs/dbraw/zinc/85/31/75/916853175.db2.gz JUVLXOQHPISLPT-UHFFFAOYSA-N -1 3 380.441 3.708 20 0 GHADHM Cn1ncc2c1nc(S[C@H](C(=O)Nc1ccccc1)c1ccccc1)[n-]c2=O ZINC001189737584 916895124 /nfs/dbraw/zinc/89/51/24/916895124.db2.gz JLGOWYGZGAWNTR-INIZCTEOSA-N -1 3 391.456 3.541 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189763302 916898445 /nfs/dbraw/zinc/89/84/45/916898445.db2.gz SQJXWQZNUSXAGV-UHFFFAOYSA-N -1 3 391.349 3.749 20 0 GHADHM O=S(=O)([N-]Cc1cncc(Cl)c1)c1cc(Br)ccc1Cl ZINC001189771597 916907018 /nfs/dbraw/zinc/90/70/18/916907018.db2.gz LPLKDARSFDQEMC-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCCC(=O)[O-] ZINC000294740755 916957617 /nfs/dbraw/zinc/95/76/17/916957617.db2.gz JUDLVYALFPJTAS-RTBURBONSA-N -1 3 376.497 3.753 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c(F)c1 ZINC001189993260 917051589 /nfs/dbraw/zinc/05/15/89/917051589.db2.gz MDPKEWIXVWACSP-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM COc1cc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2Br)c(OC)c1 ZINC001190144798 917125750 /nfs/dbraw/zinc/12/57/50/917125750.db2.gz YMRKRDZSPJWISB-NSHDSACASA-N -1 3 394.265 3.533 20 0 GHADHM COc1cc([O-])c(C(=O)NCc2ccc(C3(C(F)(F)F)N=N3)cc2)c(OC)c1 ZINC001190144188 917126262 /nfs/dbraw/zinc/12/62/62/917126262.db2.gz JKBVFHQKFFJJTD-UHFFFAOYSA-N -1 3 395.337 3.520 20 0 GHADHM Cc1c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)cccc1C(F)(F)F ZINC001190400900 917300615 /nfs/dbraw/zinc/30/06/15/917300615.db2.gz ARDHOZLSNMSHIJ-UHFFFAOYSA-N -1 3 383.313 3.910 20 0 GHADHM Cc1nc(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc(=O)[n-]1 ZINC001190427528 917331246 /nfs/dbraw/zinc/33/12/46/917331246.db2.gz BGACCHNEYXYYFB-UHFFFAOYSA-N -1 3 394.378 3.809 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(-c2ccccc2)s1 ZINC001190984974 917686748 /nfs/dbraw/zinc/68/67/48/917686748.db2.gz VIGXQUHFYYQEHL-OAHLLOKOSA-N -1 3 386.498 3.573 20 0 GHADHM CCCN1CCc2c(N)sc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)c2C1 ZINC001191139924 917809205 /nfs/dbraw/zinc/80/92/05/917809205.db2.gz YIOTXPCACGDZIE-UHFFFAOYSA-N -1 3 395.912 3.718 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC001191185192 917838045 /nfs/dbraw/zinc/83/80/45/917838045.db2.gz NIEWOUQRLQOKPA-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC001191229421 917866458 /nfs/dbraw/zinc/86/64/58/917866458.db2.gz PEDACCFWFRSIKW-SNVBAGLBSA-N -1 3 375.824 3.536 20 0 GHADHM CN(C[C@@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652374348 917885988 /nfs/dbraw/zinc/88/59/88/917885988.db2.gz OSZACAYOEPQNRI-PXAZEXFGSA-N -1 3 381.350 3.603 20 0 GHADHM CN(C[C@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652374349 917886545 /nfs/dbraw/zinc/88/65/45/917886545.db2.gz OSZACAYOEPQNRI-SJCJKPOMSA-N -1 3 381.350 3.603 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C(C)(C)C1 ZINC001191426755 917996989 /nfs/dbraw/zinc/99/69/89/917996989.db2.gz ITILUOFKUSXEOR-UHFFFAOYSA-N -1 3 398.507 3.681 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1cccc2ccccc21 ZINC001191542949 918051726 /nfs/dbraw/zinc/05/17/26/918051726.db2.gz PFAVPFCMPJBJLE-IBGZPJMESA-N -1 3 375.490 3.554 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2c(Br)cnn2C)c1Cl ZINC001191728794 918148305 /nfs/dbraw/zinc/14/83/05/918148305.db2.gz MKFPYRDVGVSJGD-UHFFFAOYSA-N -1 3 399.097 3.599 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)s1 ZINC001191779823 918213273 /nfs/dbraw/zinc/21/32/73/918213273.db2.gz OZGOZNSKLPFWME-CHWSQXEVSA-N -1 3 386.336 3.901 20 0 GHADHM Cc1ccccc1SC[C@H](C)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001191789785 918220934 /nfs/dbraw/zinc/22/09/34/918220934.db2.gz NSVJLYWGXXTXSH-QGZVFWFLSA-N -1 3 384.545 3.887 20 0 GHADHM CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2s1 ZINC000654569845 919210179 /nfs/dbraw/zinc/21/01/79/919210179.db2.gz OWOMUIVMELYMJI-UHFFFAOYSA-N -1 3 397.460 3.660 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000018097481 919522950 /nfs/dbraw/zinc/52/29/50/919522950.db2.gz FSSODVYRLZBDPH-VIFPVBQESA-N -1 3 387.650 3.875 20 0 GHADHM CCOc1cc(CN2CCCN(C(=O)c3ccsc3)CC2)cc(Cl)c1[O-] ZINC000297643862 919530142 /nfs/dbraw/zinc/53/01/42/919530142.db2.gz IOTQFUXDGJEDSV-UHFFFAOYSA-N -1 3 394.924 3.854 20 0 GHADHM Cn1nc2c(c1CN[C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1)CCC2 ZINC000900029513 919763249 /nfs/dbraw/zinc/76/32/49/919763249.db2.gz QMVWFFZVNLFKRC-OAHLLOKOSA-N -1 3 382.291 3.911 20 0 GHADHM Cc1cc(F)ncc1CN[C@@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000900047596 919772086 /nfs/dbraw/zinc/77/20/86/919772086.db2.gz PRPJRNIPCFOFTJ-HNNXBMFYSA-N -1 3 381.245 3.987 20 0 GHADHM COc1cc(C[NH2+]CCCCC2(C(=O)[O-])CCC2)cc(Br)c1[O-] ZINC000900079698 919815387 /nfs/dbraw/zinc/81/53/87/919815387.db2.gz USVSPPCKDCXXKN-UHFFFAOYSA-N -1 3 386.286 3.678 20 0 GHADHM O=C([O-])[C@@H](CNCc1ncc(Br)cc1Cl)CC1CCCC1 ZINC000900083799 919823123 /nfs/dbraw/zinc/82/31/23/919823123.db2.gz LGHFSJJZIDUWSR-LLVKDONJSA-N -1 3 375.694 3.868 20 0 GHADHM CON(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)CC1CCOCC1 ZINC000298020984 920092762 /nfs/dbraw/zinc/09/27/62/920092762.db2.gz BDCFROTXSYRDFZ-UHFFFAOYSA-N -1 3 385.489 3.854 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000900285760 920125426 /nfs/dbraw/zinc/12/54/26/920125426.db2.gz BRMUJHQZOTXKQK-HNNXBMFYSA-N -1 3 388.265 3.799 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Br)c3cccnc23)c2ccccc21 ZINC000800795985 920471970 /nfs/dbraw/zinc/47/19/70/920471970.db2.gz GRYUOZCGKPBDJE-UVTDQMKNSA-N -1 3 394.228 3.720 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c4c(sc3[n-]2)CCCCC4)cc1 ZINC000298770772 920907731 /nfs/dbraw/zinc/90/77/31/920907731.db2.gz XGBVWLULPAAYTK-UHFFFAOYSA-N -1 3 388.514 3.948 20 0 GHADHM O=C([O-])CC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000901418576 921089590 /nfs/dbraw/zinc/08/95/90/921089590.db2.gz KCLBSLSSTMSTSP-UHFFFAOYSA-N -1 3 381.398 3.637 20 0 GHADHM COc1ccccc1COC1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000901438790 921108159 /nfs/dbraw/zinc/10/81/59/921108159.db2.gz PJJCYHOMFXYELS-KRWDZBQOSA-N -1 3 399.487 3.728 20 0 GHADHM CCOCc1nnc([N-]Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)o1 ZINC000902052418 921834955 /nfs/dbraw/zinc/83/49/55/921834955.db2.gz GWAYWSDGTQMVSQ-UHFFFAOYSA-N -1 3 381.411 3.980 20 0 GHADHM COc1ccc([C@@H](C)NCc2ccc(OCC(=O)[O-])cc2)cc1Br ZINC000902140501 921910464 /nfs/dbraw/zinc/91/04/64/921910464.db2.gz GKDPQGFKKRPWHK-GFCCVEGCSA-N -1 3 394.265 3.772 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccc(COc2ccccc2)cc1 ZINC000902143916 921916024 /nfs/dbraw/zinc/91/60/24/921916024.db2.gz CGVXNZGDYSRUQN-UHFFFAOYSA-N -1 3 393.487 3.843 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000902144380 921916433 /nfs/dbraw/zinc/91/64/33/921916433.db2.gz NUAVRRCGXRZSQW-CVEARBPZSA-N -1 3 384.476 3.813 20 0 GHADHM CCc1oc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1C(=O)[O-] ZINC000902203351 921981974 /nfs/dbraw/zinc/98/19/74/921981974.db2.gz FBZNKNZQOFBMBT-UHFFFAOYSA-N -1 3 380.448 3.705 20 0 GHADHM C[C@@H](Oc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1)C(=O)[O-] ZINC000902378412 922139321 /nfs/dbraw/zinc/13/93/21/922139321.db2.gz NLZKRFVENVMYSJ-GCJKJVERSA-N -1 3 383.488 3.762 20 0 GHADHM Cc1cc(C(F)(F)F)nn1CCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902548857 922271422 /nfs/dbraw/zinc/27/14/22/922271422.db2.gz CZJDONMJCIXGNB-UHFFFAOYSA-N -1 3 393.365 3.958 20 0 GHADHM COCCc1ncc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)s1 ZINC000902569155 922307806 /nfs/dbraw/zinc/30/78/06/922307806.db2.gz PKDSYFKWPCMOHH-UHFFFAOYSA-N -1 3 399.516 3.891 20 0 GHADHM C[C@H](Cn1ncc2ccccc21)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000802821311 922437823 /nfs/dbraw/zinc/43/78/23/922437823.db2.gz NHVSJQJJGAHCJV-CYBMUJFWSA-N -1 3 377.366 3.939 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000802889138 922501593 /nfs/dbraw/zinc/50/15/93/922501593.db2.gz PVDJXKHQNDCRKB-CYBMUJFWSA-N -1 3 390.155 3.846 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000803328970 922888343 /nfs/dbraw/zinc/88/83/43/922888343.db2.gz XHFXELQQBJHADO-MRXNPFEDSA-N -1 3 383.828 3.695 20 0 GHADHM O=C(OCC1CCC(=O)CC1)c1n[n-]c(-c2ccccc2)c1Br ZINC000803401215 922947338 /nfs/dbraw/zinc/94/73/38/922947338.db2.gz QEWYXWATSPEEPM-UHFFFAOYSA-N -1 3 377.238 3.755 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccnn2C2CCC2)c(Br)c1 ZINC000903620381 923132367 /nfs/dbraw/zinc/13/23/67/923132367.db2.gz OXIXTOYZYHKGCC-UHFFFAOYSA-N -1 3 384.299 3.788 20 0 GHADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903632179 923141936 /nfs/dbraw/zinc/14/19/36/923141936.db2.gz VDPMVQOYDPFTAV-KRWDZBQOSA-N -1 3 398.356 3.909 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000903921929 923400672 /nfs/dbraw/zinc/40/06/72/923400672.db2.gz QVSMMLFVBFQZIV-UHFFFAOYSA-N -1 3 394.393 3.890 20 0 GHADHM O=C([O-])c1occc1CN1CCC[C@H]1COc1ccc(Br)cc1 ZINC000903934121 923407346 /nfs/dbraw/zinc/40/73/46/923407346.db2.gz JFZUPZJMKYSPLC-AWEZNQCLSA-N -1 3 380.238 3.784 20 0 GHADHM Cc1csc(C[C@H]2CCN(Cc3cc(Br)ccc3C(=O)[O-])C2)n1 ZINC000903935222 923409834 /nfs/dbraw/zinc/40/98/34/923409834.db2.gz HOURTMNRDZTAEB-GFCCVEGCSA-N -1 3 395.322 3.977 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3ccc(Br)cc3n2C)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903953308 923433558 /nfs/dbraw/zinc/43/35/58/923433558.db2.gz QTFLYZVLCAFYDM-UZTWBRENSA-N -1 3 394.313 3.655 20 0 GHADHM COc1ccc(C[C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000369623927 923493584 /nfs/dbraw/zinc/49/35/84/923493584.db2.gz XVPCFBQETOIAOA-QGZVFWFLSA-N -1 3 376.456 3.632 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ccc(F)cc1Cl ZINC000748474135 923659292 /nfs/dbraw/zinc/65/92/92/923659292.db2.gz FZQRTHHTXBXYKH-UHFFFAOYSA-N -1 3 376.142 3.773 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c(=O)[n-]1 ZINC000370718239 924272684 /nfs/dbraw/zinc/27/26/84/924272684.db2.gz AYECVXMAOKYJKQ-GOSISDBHSA-N -1 3 375.419 3.764 20 0 GHADHM Cc1sc(C(N)=O)cc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000677409828 924352851 /nfs/dbraw/zinc/35/28/51/924352851.db2.gz URSKHQOXETUSJX-UHFFFAOYSA-N -1 3 380.469 3.899 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1c(C)noc1C ZINC000677424009 924356309 /nfs/dbraw/zinc/35/63/09/924356309.db2.gz LDCOYOQVJJVLMA-MRXNPFEDSA-N -1 3 375.450 3.517 20 0 GHADHM CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000371305961 924516985 /nfs/dbraw/zinc/51/69/85/924516985.db2.gz QJFCZKJXENODQA-KGLIPLIRSA-N -1 3 376.384 3.733 20 0 GHADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1OCC(=O)NC ZINC000678306402 924716771 /nfs/dbraw/zinc/71/67/71/924716771.db2.gz FNAOYAVQPRUULB-SFHVURJKSA-N -1 3 384.476 3.522 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC2(CCOCC2)CC1 ZINC000372200264 925237768 /nfs/dbraw/zinc/23/77/68/925237768.db2.gz HMONERDCYQUGIL-UHFFFAOYSA-N -1 3 383.444 3.596 20 0 GHADHM CON(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)[C@@H]1CCCOc2ccccc21 ZINC000372334972 925343600 /nfs/dbraw/zinc/34/36/00/925343600.db2.gz TVRZPJMVDQYWCS-GOSISDBHSA-N -1 3 396.418 3.893 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCc4cc(OC)ccc4C3)nc2)n1 ZINC000680064991 925346455 /nfs/dbraw/zinc/34/64/55/925346455.db2.gz UKEGVIYIXJVVQO-SFHVURJKSA-N -1 3 376.460 3.785 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000410147221 925346686 /nfs/dbraw/zinc/34/66/86/925346686.db2.gz IVHJWKQRCHORER-OAHLLOKOSA-N -1 3 377.359 3.806 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1Cl ZINC000680968950 925672206 /nfs/dbraw/zinc/67/22/06/925672206.db2.gz SESHDPJSLZJQHF-UHFFFAOYSA-N -1 3 382.938 3.851 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC001137445991 925824654 /nfs/dbraw/zinc/82/46/54/925824654.db2.gz BLNTYKQMFXYBMQ-UHFFFAOYSA-N -1 3 379.254 3.657 20 0 GHADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001137459080 925908638 /nfs/dbraw/zinc/90/86/38/925908638.db2.gz GSXYXHQQVSRMKH-JTQLQIEISA-N -1 3 399.422 3.777 20 0 GHADHM Cc1ccc(F)c(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1 ZINC000373198204 925927173 /nfs/dbraw/zinc/92/71/73/925927173.db2.gz ODDUFDHZLHPREE-UHFFFAOYSA-N -1 3 391.406 3.835 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC001137471284 925937841 /nfs/dbraw/zinc/93/78/41/925937841.db2.gz FBQZNVLEZOAOBX-UHFFFAOYSA-N -1 3 382.847 3.940 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000725903768 926490628 /nfs/dbraw/zinc/49/06/28/926490628.db2.gz MEJZDJZRAIIUID-UHFFFAOYSA-N -1 3 398.390 3.620 20 0 GHADHM O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276172102 926570114 /nfs/dbraw/zinc/57/01/14/926570114.db2.gz BDZXARSYLKJUAQ-KRWDZBQOSA-N -1 3 393.261 3.921 20 0 GHADHM COc1cc(CN(C)C(=O)c2ccc(C(C)=O)c([O-])c2)c(SC)cc1OC ZINC000412127830 927128560 /nfs/dbraw/zinc/12/85/60/927128560.db2.gz LXODCULIYNOVJJ-UHFFFAOYSA-N -1 3 389.473 3.606 20 0 GHADHM CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276199037 927158970 /nfs/dbraw/zinc/15/89/70/927158970.db2.gz AZPWYGKQMSCNBQ-KRWDZBQOSA-N -1 3 378.900 3.557 20 0 GHADHM CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)cc1C(=O)[O-] ZINC001276199463 927188641 /nfs/dbraw/zinc/18/86/41/927188641.db2.gz OKNNVROBIYEWLF-QZTJIDSGSA-N -1 3 376.884 3.570 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[O-] ZINC000412209768 927211678 /nfs/dbraw/zinc/21/16/78/927211678.db2.gz YJHFQVFAMLNNSP-OYHNWAKOSA-N -1 3 397.471 3.650 20 0 GHADHM COc1cc2c(cc1NC(=O)N1CCc3nc[n-]c(=O)c3C1)oc1ccccc12 ZINC000750569406 927722794 /nfs/dbraw/zinc/72/27/94/927722794.db2.gz LBTFHTPCUDBYEG-UHFFFAOYSA-N -1 3 390.399 3.680 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000375037021 927834255 /nfs/dbraw/zinc/83/42/55/927834255.db2.gz HXYHDJLCOXJZBG-UHFFFAOYSA-N -1 3 395.377 3.501 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000751212523 928075063 /nfs/dbraw/zinc/07/50/63/928075063.db2.gz ZMHYQNJVWKJRCJ-GJZGRUSLSA-N -1 3 392.496 3.803 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1c(F)cccc1Cl ZINC000751472815 928209411 /nfs/dbraw/zinc/20/94/11/928209411.db2.gz FMZGAGKUSWYKQF-ANRSDYALSA-N -1 3 396.242 3.672 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCc4cnn(C(C)C)c4C3)nc2)n1 ZINC000375451432 928318764 /nfs/dbraw/zinc/31/87/64/928318764.db2.gz SVMJJQWDUWHGQU-KRWDZBQOSA-N -1 3 378.480 3.553 20 0 GHADHM CCC1([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CCC1 ZINC000751975866 928523760 /nfs/dbraw/zinc/52/37/60/928523760.db2.gz RWQUXOFBGRJKBI-UHFFFAOYSA-N -1 3 382.707 3.722 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1([C@H](O)c2ccccc2)CC1 ZINC000752035737 928562960 /nfs/dbraw/zinc/56/29/60/928562960.db2.gz JIWQEXDBCGFMLJ-GOSISDBHSA-N -1 3 389.448 3.672 20 0 GHADHM CN(C(=O)CSc1ccccc1C(=O)Nc1ncccc1[O-])C1CCCCC1 ZINC000544025228 928703257 /nfs/dbraw/zinc/70/32/57/928703257.db2.gz BMGKZUNTKWMZFZ-UHFFFAOYSA-N -1 3 399.516 3.923 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H](C)c1ccc(C)o1 ZINC000752409107 928815419 /nfs/dbraw/zinc/81/54/19/928815419.db2.gz QOXNEVQHYJSHGL-AWEZNQCLSA-N -1 3 396.484 3.639 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000752866749 929063713 /nfs/dbraw/zinc/06/37/13/929063713.db2.gz KPZDMWMJUMAUNR-OAQYLSRUSA-N -1 3 385.460 3.813 20 0 GHADHM COc1cc(OC)c([N-]S(=O)(=O)CC2Cc3ccccc3C2)cc1Cl ZINC000753017866 929160564 /nfs/dbraw/zinc/16/05/64/929160564.db2.gz NUVXCPCIGDCZGB-UHFFFAOYSA-N -1 3 381.881 3.514 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCc1csc(CCc2ccccc2)n1 ZINC000753170726 929237139 /nfs/dbraw/zinc/23/71/39/929237139.db2.gz JKRJXBSWFXTPTD-UHFFFAOYSA-N -1 3 382.485 3.945 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000544553160 929280949 /nfs/dbraw/zinc/28/09/49/929280949.db2.gz ILHDLVFGGJDOMB-STQMWFEESA-N -1 3 395.484 3.912 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)sc1Cl ZINC000544595829 929322960 /nfs/dbraw/zinc/32/29/60/929322960.db2.gz GYOLZHGHIOTYCR-JTQLQIEISA-N -1 3 384.281 3.514 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000467717029 929332148 /nfs/dbraw/zinc/33/21/48/929332148.db2.gz XFKWFMMHCPNFME-GOSISDBHSA-N -1 3 399.397 3.587 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c1Cl ZINC000467797986 929433874 /nfs/dbraw/zinc/43/38/74/929433874.db2.gz WSHSBFPITLZLMZ-ZIAGYGMSSA-N -1 3 388.320 3.961 20 0 GHADHM C[C@@H](OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000757686368 929770828 /nfs/dbraw/zinc/77/08/28/929770828.db2.gz CLJLPUBRGVHTFI-IERDGZPVSA-N -1 3 390.439 3.953 20 0 GHADHM O=C(OCC[C@H]1CCCC1=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757729746 929785298 /nfs/dbraw/zinc/78/52/98/929785298.db2.gz TXGRXGRASGXMQO-LLVKDONJSA-N -1 3 377.238 3.755 20 0 GHADHM CC(C)Oc1ccc(Br)cc1NC(=O)NCc1ncccc1[O-] ZINC000469903393 930246065 /nfs/dbraw/zinc/24/60/65/930246065.db2.gz DALVVBOFBSQAHV-UHFFFAOYSA-N -1 3 380.242 3.659 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000759098415 930272915 /nfs/dbraw/zinc/27/29/15/930272915.db2.gz FDBYDAQRMAPCRG-HOCLYGCPSA-N -1 3 376.497 3.720 20 0 GHADHM COc1cc2nc(-c3nc(OC(C)C)ccc3Cl)[n-]c(=O)c2c(OC)c1 ZINC000469981776 930293292 /nfs/dbraw/zinc/29/32/92/930293292.db2.gz LWQLIXBOBNWLRB-UHFFFAOYSA-N -1 3 375.812 3.855 20 0 GHADHM CCCCn1ncc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1CC ZINC000759533912 930395890 /nfs/dbraw/zinc/39/58/90/930395890.db2.gz YHFQLKMFWBGPKY-UHFFFAOYSA-N -1 3 380.448 3.936 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)cc1CC ZINC000546781795 930430673 /nfs/dbraw/zinc/43/06/73/930430673.db2.gz KSUUBJMNQFBILX-UHFFFAOYSA-N -1 3 386.517 3.911 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)c(C)c1 ZINC000546885904 930510542 /nfs/dbraw/zinc/51/05/42/930510542.db2.gz SWKRGLBSTNHKFD-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000780965863 930654506 /nfs/dbraw/zinc/65/45/06/930654506.db2.gz VNAFQPYJSMFGJZ-YWZLYKJASA-N -1 3 396.459 3.568 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000470606591 930747088 /nfs/dbraw/zinc/74/70/88/930747088.db2.gz NPMVLAMQSCIISA-DAXOMENPSA-N -1 3 383.897 3.877 20 0 GHADHM Cc1ccc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)cc1Br ZINC000547199869 930792746 /nfs/dbraw/zinc/79/27/46/930792746.db2.gz GJFRMRJQULWJSR-UHFFFAOYSA-N -1 3 375.226 3.511 20 0 GHADHM COCCOc1ccccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000547242076 930836677 /nfs/dbraw/zinc/83/66/77/930836677.db2.gz FWMBZLJEJCOROW-MRXNPFEDSA-N -1 3 395.443 3.501 20 0 GHADHM CCOc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000547267471 930865027 /nfs/dbraw/zinc/86/50/27/930865027.db2.gz AKYFYSFZDSQFGY-PBHICJAKSA-N -1 3 388.895 3.837 20 0 GHADHM O=C(COc1cccc(C(F)(F)F)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000781944427 931038219 /nfs/dbraw/zinc/03/82/19/931038219.db2.gz UPYCZOPPXANUPP-UHFFFAOYSA-N -1 3 394.305 3.583 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000781965655 931044200 /nfs/dbraw/zinc/04/42/00/931044200.db2.gz YMUKBHPHCBHRAU-UHFFFAOYSA-N -1 3 382.416 3.996 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc(=O)oc12 ZINC000782091246 931086667 /nfs/dbraw/zinc/08/66/67/931086667.db2.gz OYVPOJLPQPHLDA-INIZCTEOSA-N -1 3 393.361 3.649 20 0 GHADHM COc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c2ccccc12 ZINC000782096161 931089288 /nfs/dbraw/zinc/08/92/88/931089288.db2.gz BZVYZRCDSZPKSK-UHFFFAOYSA-N -1 3 376.368 3.961 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000827963618 931096857 /nfs/dbraw/zinc/09/68/57/931096857.db2.gz QHVCRDHQLILZPF-LBPRGKRZSA-N -1 3 390.249 3.761 20 0 GHADHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000557327928 931347026 /nfs/dbraw/zinc/34/70/26/931347026.db2.gz VRTAEVCZWUPSJA-SECBINFHSA-N -1 3 396.727 3.766 20 0 GHADHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000557533432 931523581 /nfs/dbraw/zinc/52/35/81/931523581.db2.gz WUXPYNSYDYOHPM-UHFFFAOYSA-N -1 3 394.438 3.565 20 0 GHADHM COC(=O)c1sc2[n-]c(CSCCSC(C)(C)C)nc(=O)c2c1C ZINC000783561988 931582297 /nfs/dbraw/zinc/58/22/97/931582297.db2.gz VUJYAZWOPWECPY-UHFFFAOYSA-N -1 3 386.564 3.845 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cccc4n[n-]nc43)ccc21 ZINC000783595288 931591323 /nfs/dbraw/zinc/59/13/23/931591323.db2.gz OAXASDKFBFMTET-UHFFFAOYSA-N -1 3 379.420 3.508 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000783596221 931591439 /nfs/dbraw/zinc/59/14/39/931591439.db2.gz SKNWNXGWFIGMBZ-AWEZNQCLSA-N -1 3 385.427 3.701 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc2C1 ZINC000783859515 931694686 /nfs/dbraw/zinc/69/46/86/931694686.db2.gz NSOBAMUMJKQXLN-HXUWFJFHSA-N -1 3 387.501 3.922 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)cc2C1 ZINC000783862747 931696677 /nfs/dbraw/zinc/69/66/77/931696677.db2.gz OFBZVSWAKCGKJM-SFHVURJKSA-N -1 3 375.490 3.697 20 0 GHADHM O=C(CCc1cncc2ccccc21)OCc1noc(-c2ccccc2[O-])n1 ZINC000784734616 931993252 /nfs/dbraw/zinc/99/32/52/931993252.db2.gz MROICHVGVKIZBR-UHFFFAOYSA-N -1 3 375.384 3.666 20 0 GHADHM CC1(C)CC(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000559581306 932742962 /nfs/dbraw/zinc/74/29/62/932742962.db2.gz HTRVMVKWSWPWKX-UHFFFAOYSA-N -1 3 378.416 3.842 20 0 GHADHM C/C(=C/C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000799019510 932853268 /nfs/dbraw/zinc/85/32/68/932853268.db2.gz NQTOYIARWUXZAW-BENRWUELSA-N -1 3 388.817 3.660 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023816 932854151 /nfs/dbraw/zinc/85/41/51/932854151.db2.gz HEVCGFQJPXBYRU-HOCLYGCPSA-N -1 3 396.453 3.893 20 0 GHADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCC2(C)C)c1Cl ZINC000799495336 933019637 /nfs/dbraw/zinc/01/96/37/933019637.db2.gz MVGKYLBIRXJZSF-LLVKDONJSA-N -1 3 380.293 3.637 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2cnc(OCC3CC3)cn2)s1)c1ccccc1 ZINC000560018565 933021602 /nfs/dbraw/zinc/02/16/02/933021602.db2.gz DHEDJFHJVCCFPU-UHFFFAOYSA-N -1 3 395.488 3.695 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1F)N1CCCC1 ZINC000799917004 933167034 /nfs/dbraw/zinc/16/70/34/933167034.db2.gz POWUQTNRZMYTMG-SDNWHVSQSA-N -1 3 389.452 3.866 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1[O-] ZINC000560550332 933334297 /nfs/dbraw/zinc/33/42/97/933334297.db2.gz KKLPWZIOLWKXKV-UHFFFAOYSA-N -1 3 396.830 3.711 20 0 GHADHM O=C1CCOc2ccc(S(=O)(=O)[N-]c3ccc4[nH]c(C5CCC5)nc4c3)cc21 ZINC000560915867 933686105 /nfs/dbraw/zinc/68/61/05/933686105.db2.gz OZKHEXOGDQCMQC-UHFFFAOYSA-N -1 3 397.456 3.596 20 0 GHADHM CN(Cc1nc(-c2cccs2)no1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000560988267 933759221 /nfs/dbraw/zinc/75/92/21/933759221.db2.gz OOTRVYBTNWGXPU-UHFFFAOYSA-N -1 3 375.425 3.624 20 0 GHADHM CC(C)n1c2ccccc2n2c(SCc3cc(=O)[n-]c(C4CC4)n3)nnc21 ZINC001119664460 934379780 /nfs/dbraw/zinc/37/97/80/934379780.db2.gz VCGPDULNLZQTAD-UHFFFAOYSA-N -1 3 380.477 3.930 20 0 GHADHM CCOC1CC2(C1)CCN(c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)C2 ZINC001120848741 934525051 /nfs/dbraw/zinc/52/50/51/934525051.db2.gz INUDVRIIBATTQA-UHFFFAOYSA-N -1 3 386.517 3.883 20 0 GHADHM CC1(C)O[C@@H]2C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C[C@@H]2O1 ZINC001120963153 934542462 /nfs/dbraw/zinc/54/24/62/934542462.db2.gz JEYQBSDDHCLYJL-LUPIEILUSA-N -1 3 388.489 3.582 20 0 GHADHM Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001121021003 934553023 /nfs/dbraw/zinc/55/30/23/934553023.db2.gz ZOCWKHUPDKHFHC-UHFFFAOYSA-N -1 3 394.381 3.612 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(CCC(F)(F)F)n2)c(F)c1F ZINC001121091187 934564793 /nfs/dbraw/zinc/56/47/93/934564793.db2.gz XGEAZPUNZJDTDM-UHFFFAOYSA-N -1 3 379.260 3.708 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1nnc2n1CCCCC2 ZINC000931592899 934632968 /nfs/dbraw/zinc/63/29/68/934632968.db2.gz YEFXWIREISNIDM-ZDUSSCGKSA-N -1 3 397.857 3.721 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCCCF)cc1 ZINC000931616450 934645707 /nfs/dbraw/zinc/64/57/07/934645707.db2.gz CWGAPCMIWKEAAV-UHFFFAOYSA-N -1 3 379.457 3.585 20 0 GHADHM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1Cc2cccc(Cl)c2C1 ZINC001121782998 934763075 /nfs/dbraw/zinc/76/30/75/934763075.db2.gz XSPIUCTWDKCVQM-UHFFFAOYSA-N -1 3 382.855 3.512 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC001123687641 935252971 /nfs/dbraw/zinc/25/29/71/935252971.db2.gz PHBNHZKFNIXUJS-PXNSSMCTSA-N -1 3 398.434 3.648 20 0 GHADHM CCc1ncoc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001125262669 935561839 /nfs/dbraw/zinc/56/18/39/935561839.db2.gz HMDIDOJKNFXFPG-UHFFFAOYSA-N -1 3 399.472 3.907 20 0 GHADHM CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001137650952 935671083 /nfs/dbraw/zinc/67/10/83/935671083.db2.gz SZCRTPFAECIGTI-UHFFFAOYSA-N -1 3 382.504 3.654 20 0 GHADHM Cc1ccsc1CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137840656 935818136 /nfs/dbraw/zinc/81/81/36/935818136.db2.gz ZLPURSFXGITWOM-UHFFFAOYSA-N -1 3 391.290 3.633 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000829559662 935827032 /nfs/dbraw/zinc/82/70/32/935827032.db2.gz BMOYDPMLVPNFFY-UHFFFAOYSA-N -1 3 382.526 3.737 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000829767275 935858374 /nfs/dbraw/zinc/85/83/74/935858374.db2.gz GJFOWJYUHYAFCC-ZDUSSCGKSA-N -1 3 387.386 3.638 20 0 GHADHM CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001137937888 935880529 /nfs/dbraw/zinc/88/05/29/935880529.db2.gz MYXZXSGRYRTXAT-HNNXBMFYSA-N -1 3 394.468 3.591 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2CC3(CC3(F)F)C2)CC1 ZINC000830141453 935906107 /nfs/dbraw/zinc/90/61/07/935906107.db2.gz UFYMUZWEUAZUHN-UHFFFAOYSA-N -1 3 398.837 3.658 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001138047217 935951665 /nfs/dbraw/zinc/95/16/65/935951665.db2.gz JWYAYWINYKMMPB-GUYCJALGSA-N -1 3 378.394 3.661 20 0 GHADHM Brc1cc(NCCc2cnc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC001573280667 946665833 /nfs/dbraw/zinc/66/58/33/946665833.db2.gz VTXFGIDNORAABS-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM Brc1cc(NCCc2cnc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC001573280667 946665839 /nfs/dbraw/zinc/66/58/39/946665839.db2.gz VTXFGIDNORAABS-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM Brc1sccc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573281329 946675117 /nfs/dbraw/zinc/67/51/17/946675117.db2.gz YAJOJUTVECKDFM-UHFFFAOYSA-N -1 3 390.310 3.855 20 0 GHADHM Brc1sccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573281329 946675127 /nfs/dbraw/zinc/67/51/27/946675127.db2.gz YAJOJUTVECKDFM-UHFFFAOYSA-N -1 3 390.310 3.855 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001573555888 946920204 /nfs/dbraw/zinc/92/02/04/946920204.db2.gz SVRTXXCVGJKNLN-UHFFFAOYSA-N -1 3 395.806 3.957 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001573555888 946920214 /nfs/dbraw/zinc/92/02/14/946920214.db2.gz SVRTXXCVGJKNLN-UHFFFAOYSA-N -1 3 395.806 3.957 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573363048 947708691 /nfs/dbraw/zinc/70/86/91/947708691.db2.gz ATSXKDVNUJTIKM-OTUMPNAGSA-N -1 3 395.507 3.539 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573363048 947708701 /nfs/dbraw/zinc/70/87/01/947708701.db2.gz ATSXKDVNUJTIKM-OTUMPNAGSA-N -1 3 395.507 3.539 20 0 GHADHM C[C@H](C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651696 947923526 /nfs/dbraw/zinc/92/35/26/947923526.db2.gz PCNVNVUHLXQXSN-JTQLQIEISA-N -1 3 388.258 3.819 20 0 GHADHM C[C@H](C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651696 947923531 /nfs/dbraw/zinc/92/35/31/947923531.db2.gz PCNVNVUHLXQXSN-JTQLQIEISA-N -1 3 388.258 3.819 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001569347369 948561440 /nfs/dbraw/zinc/56/14/40/948561440.db2.gz AEIWHOFLHIXVOC-UHFFFAOYSA-N -1 3 396.882 3.547 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001569347369 948561446 /nfs/dbraw/zinc/56/14/46/948561446.db2.gz AEIWHOFLHIXVOC-UHFFFAOYSA-N -1 3 396.882 3.547 20 0 GHADHM CC(C)[C@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC001574080601 948798071 /nfs/dbraw/zinc/79/80/71/948798071.db2.gz SPPCLQHXCXOEMS-FQEVSTJZSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC001574080601 948798086 /nfs/dbraw/zinc/79/80/86/948798086.db2.gz SPPCLQHXCXOEMS-FQEVSTJZSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001574093958 949124920 /nfs/dbraw/zinc/12/49/20/949124920.db2.gz ZUNXGTCIFBIESE-OXJNMPFZSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccccc1Cl ZINC001573788718 949210054 /nfs/dbraw/zinc/21/00/54/949210054.db2.gz UOEVDNKXMIJCTE-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccccc1Cl ZINC001573788718 949210073 /nfs/dbraw/zinc/21/00/73/949210073.db2.gz UOEVDNKXMIJCTE-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575254791 949215167 /nfs/dbraw/zinc/21/51/67/949215167.db2.gz XVWCAPYAQDUDGK-OPAMFIHVSA-N -1 3 377.492 3.949 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575254791 949215187 /nfs/dbraw/zinc/21/51/87/949215187.db2.gz XVWCAPYAQDUDGK-OPAMFIHVSA-N -1 3 377.492 3.949 20 0 GHADHM CC(C)(C(=O)Nc1ccc(OC(F)F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788785 949215388 /nfs/dbraw/zinc/21/53/88/949215388.db2.gz XQFXJGBHLZSFJK-UHFFFAOYSA-N -1 3 391.353 3.524 20 0 GHADHM CC(C)(C(=O)Nc1ccc(OC(F)F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788785 949215414 /nfs/dbraw/zinc/21/54/14/949215414.db2.gz XQFXJGBHLZSFJK-UHFFFAOYSA-N -1 3 391.353 3.524 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1F ZINC001575289590 949995947 /nfs/dbraw/zinc/99/59/47/949995947.db2.gz ABYOSEPIASSGGR-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(Cl)c1F ZINC001575289590 949995967 /nfs/dbraw/zinc/99/59/67/949995967.db2.gz ABYOSEPIASSGGR-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001574519100 950669070 /nfs/dbraw/zinc/66/90/70/950669070.db2.gz AYHOTUYOLCUXEH-VIFPVBQESA-N -1 3 381.278 3.575 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001574519100 950669079 /nfs/dbraw/zinc/66/90/79/950669079.db2.gz AYHOTUYOLCUXEH-VIFPVBQESA-N -1 3 381.278 3.575 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC001574520407 950729490 /nfs/dbraw/zinc/72/94/90/950729490.db2.gz REIINITZCYOOIK-SJORKVTESA-N -1 3 391.519 3.918 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC001574520407 950729502 /nfs/dbraw/zinc/72/95/02/950729502.db2.gz REIINITZCYOOIK-SJORKVTESA-N -1 3 391.519 3.918 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(F)(F)F ZINC001574520699 950747238 /nfs/dbraw/zinc/74/72/38/950747238.db2.gz XKDVZQMHQJRWTD-SNVBAGLBSA-N -1 3 392.341 3.581 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(F)(F)F ZINC001574520699 950747253 /nfs/dbraw/zinc/74/72/53/950747253.db2.gz XKDVZQMHQJRWTD-SNVBAGLBSA-N -1 3 392.341 3.581 20 0 GHADHM CC(C)(C)c1csc(NC(=O)CCc2cccc3c2OCO3)c1-c1nnn[n-]1 ZINC001573884607 950798806 /nfs/dbraw/zinc/79/88/06/950798806.db2.gz NRELTRXGOLEKSQ-UHFFFAOYSA-N -1 3 399.476 3.526 20 0 GHADHM CC(C)(C)c1csc(NC(=O)CCc2cccc3c2OCO3)c1-c1nn[n-]n1 ZINC001573884607 950798818 /nfs/dbraw/zinc/79/88/18/950798818.db2.gz NRELTRXGOLEKSQ-UHFFFAOYSA-N -1 3 399.476 3.526 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC001573885431 950820672 /nfs/dbraw/zinc/82/06/72/950820672.db2.gz WTBSFJCLFLXOIX-UHFFFAOYSA-N -1 3 391.888 3.596 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC001573885431 950820694 /nfs/dbraw/zinc/82/06/94/950820694.db2.gz WTBSFJCLFLXOIX-UHFFFAOYSA-N -1 3 391.888 3.596 20 0 GHADHM C[C@@H](CS[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC001575184781 952424244 /nfs/dbraw/zinc/42/42/44/952424244.db2.gz CJZJRQHRFYTZBP-HNAYVOBHSA-N -1 3 393.516 3.899 20 0 GHADHM C[C@@H](CS[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC001575184781 952424247 /nfs/dbraw/zinc/42/42/47/952424247.db2.gz CJZJRQHRFYTZBP-HNAYVOBHSA-N -1 3 393.516 3.899 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCCc2cc(F)ccc21 ZINC001575187534 952442843 /nfs/dbraw/zinc/44/28/43/952442843.db2.gz CXKPAOYJNHPFDO-YJYMSZOUSA-N -1 3 380.423 3.805 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCCc2cc(F)ccc21 ZINC001575187534 952442845 /nfs/dbraw/zinc/44/28/45/952442845.db2.gz CXKPAOYJNHPFDO-YJYMSZOUSA-N -1 3 380.423 3.805 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001575191493 952467624 /nfs/dbraw/zinc/46/76/24/952467624.db2.gz XJWHOJVLAIPBOS-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191900 952469734 /nfs/dbraw/zinc/46/97/34/952469734.db2.gz ZUMKGRYKSPDTAS-DJJJIMSYSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191900 952469736 /nfs/dbraw/zinc/46/97/36/952469736.db2.gz ZUMKGRYKSPDTAS-DJJJIMSYSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC001589280571 953504663 /nfs/dbraw/zinc/50/46/63/953504663.db2.gz GJQMFIYLSGARCG-GXSJLCMTSA-N -1 3 378.213 3.593 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CC12CCC2 ZINC001154356910 1032063228 /nfs/dbraw/zinc/06/32/28/1032063228.db2.gz YHGLQGVTLMDCOU-SFHVURJKSA-N -1 3 388.464 3.607 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001140946381 960504007 /nfs/dbraw/zinc/50/40/07/960504007.db2.gz FHAZHSLUSCCIEH-MRXNPFEDSA-N -1 3 378.469 3.589 20 0 GHADHM O=C([O-])[C@]1(NC(=O)CCC2CCCCCC2)CCCN(Cc2ccccc2)C1 ZINC001344511585 962181534 /nfs/dbraw/zinc/18/15/34/962181534.db2.gz IMCBEUDZAXRLCF-QHCPKHFHSA-N -1 3 386.536 3.973 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549036377 962931390 /nfs/dbraw/zinc/93/13/90/962931390.db2.gz KQKVYENDUIHMSH-FFZOFVMBSA-N -1 3 380.488 3.937 20 0 GHADHM Cc1cc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1C(=O)[O-] ZINC001605202551 972944107 /nfs/dbraw/zinc/94/41/07/972944107.db2.gz PPFRXSMVIQDVSX-UHFFFAOYSA-N -1 3 399.413 3.620 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000397979083 973046053 /nfs/dbraw/zinc/04/60/53/973046053.db2.gz LNUXEXCVCSBNEV-XJKSGUPXSA-N -1 3 387.867 3.823 20 0 GHADHM C[C@@H]1CCCN(Cc2cc(OC(F)F)ccc2Br)[C@@H]1C(=O)[O-] ZINC001603414946 973103485 /nfs/dbraw/zinc/10/34/85/973103485.db2.gz PMNXNXRJVKPLJH-RNCFNFMXSA-N -1 3 378.213 3.736 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001625785271 1014159497 /nfs/dbraw/zinc/15/94/97/1014159497.db2.gz PVPPSTWSGHCVKD-AWEZNQCLSA-N -1 3 377.378 3.931 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)n[nH]c3C3CC3)c2)n1 ZINC001625885554 1014314520 /nfs/dbraw/zinc/31/45/20/1014314520.db2.gz LQJJFDOHTXAHRQ-UHFFFAOYSA-N -1 3 383.839 3.918 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]c(C)c3C(F)(F)F)c2)n1 ZINC001625885903 1014315122 /nfs/dbraw/zinc/31/51/22/1014315122.db2.gz WFZBTDDGOIEFMF-UHFFFAOYSA-N -1 3 391.353 3.714 20 0 GHADHM C[C@@](CC(=O)[O-])(NCc1ccc(OCC(F)(F)F)nc1)c1cccc(F)c1 ZINC001592328922 977749794 /nfs/dbraw/zinc/74/97/94/977749794.db2.gz PBVQRUSWXQVOST-KRWDZBQOSA-N -1 3 386.345 3.642 20 0 GHADHM COc1cc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)c2ccccc2n1 ZINC000832000102 979036962 /nfs/dbraw/zinc/03/69/62/979036962.db2.gz IIPZCRKMSGTHNI-UHFFFAOYSA-N -1 3 380.444 3.613 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592868187 979718633 /nfs/dbraw/zinc/71/86/33/979718633.db2.gz VZUPZGIIFCOYFE-LLGFUMIMSA-N -1 3 395.503 3.734 20 0 GHADHM CC[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccc(OC)cc1 ZINC001595287051 980366117 /nfs/dbraw/zinc/36/61/17/980366117.db2.gz LUQWXICOAMRFDN-HNNXBMFYSA-N -1 3 388.489 3.623 20 0 GHADHM CC[C@H]1CN(Cc2ccccc2O[C@H](C)C(=O)[O-])CCN1Cc1ccccc1 ZINC001595491003 981244593 /nfs/dbraw/zinc/24/45/93/981244593.db2.gz JXLQJLPIGFTHDW-NQIIRXRSSA-N -1 3 382.504 3.635 20 0 GHADHM CCCCCC[C@](O)(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595699489 982257844 /nfs/dbraw/zinc/25/78/44/982257844.db2.gz YQGDOEFPRKEINL-BZPMIXESSA-N -1 3 393.368 3.835 20 0 GHADHM CCCCN(CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccccc1Cl ZINC001595744710 982409591 /nfs/dbraw/zinc/40/95/91/982409591.db2.gz MQVYIKCCKOPUFN-PDGQHHTCSA-N -1 3 396.940 3.834 20 0 GHADHM CCCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001595845925 982768639 /nfs/dbraw/zinc/76/86/39/982768639.db2.gz BOWAIOWBMHDEPF-XKQJLSEDSA-N -1 3 394.537 3.527 20 0 GHADHM CCCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001595860522 982795496 /nfs/dbraw/zinc/79/54/96/982795496.db2.gz OKDMTGRBSOTIIL-KPOBHBOGSA-N -1 3 384.476 3.574 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC001594994388 982876164 /nfs/dbraw/zinc/87/61/64/982876164.db2.gz LVOHWACETFIVRW-NHYWBVRUSA-N -1 3 379.844 3.882 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595880531 982890224 /nfs/dbraw/zinc/89/02/24/982890224.db2.gz ZUDBSSMBFJBNNV-UHFFFAOYSA-N -1 3 393.553 3.983 20 0 GHADHM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596157831 983519140 /nfs/dbraw/zinc/51/91/40/983519140.db2.gz GIUQSYCNIGAHNY-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cnc4nccnc4c3)n2)cc1 ZINC000544820259 1015072430 /nfs/dbraw/zinc/07/24/30/1015072430.db2.gz BAPJRRCIZCDZNW-UHFFFAOYSA-N -1 3 380.458 3.588 20 0 GHADHM Cc1[nH]c(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c(C)c1C(=O)[O-] ZINC001599953171 985644476 /nfs/dbraw/zinc/64/44/76/985644476.db2.gz RFQFRDMVOQRQHA-SFHVURJKSA-N -1 3 397.519 3.533 20 0 GHADHM Cc1[nH]c(CN2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599964521 985873591 /nfs/dbraw/zinc/87/35/91/985873591.db2.gz LZUKLDDRIZYVDP-RBUKOAKNSA-N -1 3 384.476 3.579 20 0 GHADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589359733 986360029 /nfs/dbraw/zinc/36/00/29/986360029.db2.gz XLZBFLXQVSBHKM-TVTNDZMWSA-N -1 3 398.528 3.528 20 0 GHADHM C[C@@H]1Cc2cc(CN[C@H](C(=O)[O-])c3ccc(Br)cc3)ccc2O1 ZINC001594616463 986636277 /nfs/dbraw/zinc/63/62/77/986636277.db2.gz VXRKBXZEHZZDPI-DIFFPNOSSA-N -1 3 376.250 3.688 20 0 GHADHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNCc1ccc(-c3ccc(C(=O)[O-])cc3)o1)O2 ZINC001594639679 986780054 /nfs/dbraw/zinc/78/00/54/986780054.db2.gz IWRBXKBQYMDYPT-DAMNHTQYSA-N -1 3 385.460 3.707 20 0 GHADHM C[C@H](c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)c1c(F)cccc1F ZINC000544965182 1015295970 /nfs/dbraw/zinc/29/59/70/1015295970.db2.gz XTHHVLRTIATABV-JTQLQIEISA-N -1 3 379.388 3.538 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC001589611939 987470398 /nfs/dbraw/zinc/47/03/98/987470398.db2.gz JLRSPZHWNZELOD-BLLLJJGKSA-N -1 3 399.318 3.922 20 0 GHADHM CC(C)(C)N1CC[C@](F)(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)C1 ZINC001589806114 988227829 /nfs/dbraw/zinc/22/78/29/988227829.db2.gz LLVQVLNCLKUFPI-XMSQKQJNSA-N -1 3 386.467 3.684 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@]2(C)CN(Cc3cc(C(=O)[O-])cs3)C[C@@]2(C)C1 ZINC001590099749 989241723 /nfs/dbraw/zinc/24/17/23/989241723.db2.gz YBXYUQPVKXWUQD-KDURUIRLSA-N -1 3 380.510 3.525 20 0 GHADHM CCc1oc(CNCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cc1C(=O)[O-] ZINC001597803012 989404256 /nfs/dbraw/zinc/40/42/56/989404256.db2.gz XNKYSSUNYBXBNO-UHFFFAOYSA-N -1 3 397.393 3.655 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001590304418 989733740 /nfs/dbraw/zinc/73/37/40/989733740.db2.gz YTRKDUOTYWHUGP-OAQYLSRUSA-N -1 3 385.464 3.908 20 0 GHADHM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1nc(CC)cc(=O)[n-]1 ZINC000468267881 1015528987 /nfs/dbraw/zinc/52/89/87/1015528987.db2.gz KIBXDGBIZMRTFC-UHFFFAOYSA-N -1 3 397.306 3.902 20 0 GHADHM CC(C)(C[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1)C(N)=O ZINC001590654645 990348266 /nfs/dbraw/zinc/34/82/66/990348266.db2.gz REKOWVZIVVOSHR-XHDPSFHLSA-N -1 3 387.307 3.733 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590980556 991132477 /nfs/dbraw/zinc/13/24/77/991132477.db2.gz HNUYXRRLDXNUIW-IBGZPJMESA-N -1 3 387.455 3.802 20 0 GHADHM CC(C)C[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001591183896 991986069 /nfs/dbraw/zinc/98/60/69/991986069.db2.gz ODARMJUOTQPEND-KRWDZBQOSA-N -1 3 380.916 3.921 20 0 GHADHM CN(CCN(Cc1nc(C(=O)[O-])cs1)Cc1ccccc1)Cc1ccccc1 ZINC001598487342 992222381 /nfs/dbraw/zinc/22/23/81/992222381.db2.gz LJQIBGDLLWVLNW-UHFFFAOYSA-N -1 3 395.528 3.976 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)N(C)C)cc1 ZINC001591484678 992612065 /nfs/dbraw/zinc/61/20/65/992612065.db2.gz RIHPWJAWLYHCMX-FMAYLGMYSA-N -1 3 384.476 3.609 20 0 GHADHM CN(Cc1cccc(C(=O)[O-])c1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC001598527986 992744563 /nfs/dbraw/zinc/74/45/63/992744563.db2.gz WVLGRBFTXXBOBX-UHFFFAOYSA-N -1 3 386.879 3.775 20 0 GHADHM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598534109 992829778 /nfs/dbraw/zinc/82/97/78/992829778.db2.gz OSLKLCFCECPDQE-MOPGFXCFSA-N -1 3 397.425 3.937 20 0 GHADHM C[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001593109223 993771676 /nfs/dbraw/zinc/77/16/76/993771676.db2.gz KLZNQNMDKAVCJO-YJYMSZOUSA-N -1 3 380.448 3.679 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468585893 1015823733 /nfs/dbraw/zinc/82/37/33/1015823733.db2.gz MGTWDNMRPDWIPS-UHFFFAOYSA-N -1 3 386.467 3.602 20 0 GHADHM C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1OCC(=O)[O-] ZINC001593209491 994238396 /nfs/dbraw/zinc/23/83/96/994238396.db2.gz MFGCMSUOWUZGPE-RCDICMHDSA-N -1 3 383.444 3.723 20 0 GHADHM C[C@@H](Oc1ccc([C@H](C)N[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1)c1ccccc1 ZINC001593220811 994316667 /nfs/dbraw/zinc/31/66/67/994316667.db2.gz VQOOYVMMGVRHAU-CSODHUTKSA-N -1 3 396.487 3.553 20 0 GHADHM C[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)[O-] ZINC001593245674 994438311 /nfs/dbraw/zinc/43/83/11/994438311.db2.gz AHVVDLZQOIHSCQ-MEDUHNTESA-N -1 3 384.259 3.841 20 0 GHADHM C[C@@H](NCC1(c2ccc(Br)cc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593251632 994498136 /nfs/dbraw/zinc/49/81/36/994498136.db2.gz JIFOLPHLEIITNG-SNVBAGLBSA-N -1 3 381.295 3.986 20 0 GHADHM COc1cccc([C@@H](N[C@H](c2cncc(Br)c2)C2CC2)C(=O)[O-])c1 ZINC001599658211 994615006 /nfs/dbraw/zinc/61/50/06/994615006.db2.gz TVXXFNQNKCYVGU-DLBZAZTESA-N -1 3 391.265 3.719 20 0 GHADHM C[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC001593295445 994690370 /nfs/dbraw/zinc/69/03/70/994690370.db2.gz FEUMWHBVNOYFKP-HNNXBMFYSA-N -1 3 380.444 3.610 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001593296464 994697155 /nfs/dbraw/zinc/69/71/55/994697155.db2.gz MILSRPFEJXPKCX-CXAGYDPISA-N -1 3 380.460 3.792 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC3CC3)C(C)C)cs2)c1 ZINC000545455198 1015887931 /nfs/dbraw/zinc/88/79/31/1015887931.db2.gz JYDKXTFZJUJYLZ-UHFFFAOYSA-N -1 3 387.505 3.599 20 0 GHADHM COc1cccc(N2CC[C@H](N[C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)c1 ZINC001599679602 994957071 /nfs/dbraw/zinc/95/70/71/994957071.db2.gz XIRADSNECHXBLR-SGTLLEGYSA-N -1 3 395.286 3.996 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001593698618 996166070 /nfs/dbraw/zinc/16/60/70/996166070.db2.gz GBMPRQBVPOMPAJ-CYBMUJFWSA-N -1 3 387.398 3.728 20 0 GHADHM C[C@H](c1ccccc1F)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001593716699 996232815 /nfs/dbraw/zinc/23/28/15/996232815.db2.gz AIBHVVAFZDJFAV-MTRWXTFGSA-N -1 3 377.456 3.641 20 0 GHADHM C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593734545 996326156 /nfs/dbraw/zinc/32/61/56/996326156.db2.gz ZREJCDMFPSZKCU-MDASCCDHSA-N -1 3 395.434 3.661 20 0 GHADHM COc1cc(CN(CC(=O)[O-])Cc2cccc(Br)c2)cc(OC)c1 ZINC001599405581 997290428 /nfs/dbraw/zinc/29/04/28/997290428.db2.gz AJLPTVIMYPACQF-UHFFFAOYSA-N -1 3 394.265 3.553 20 0 GHADHM COc1ccc([C@H](Cc2ccncc2)NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001599515674 997381989 /nfs/dbraw/zinc/38/19/89/997381989.db2.gz DOJUPLLKIMKUBM-NRFANRHFSA-N -1 3 379.460 3.509 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)ccc1OC(=O)C1CC1 ZINC001599414785 997487043 /nfs/dbraw/zinc/48/70/43/997487043.db2.gz SYCKJWOWKUZBFW-HXUWFJFHSA-N -1 3 383.444 3.543 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC001154495521 1032142955 /nfs/dbraw/zinc/14/29/55/1032142955.db2.gz FASJPTLNRWDYNF-DZGCQCFKSA-N -1 3 395.459 3.691 20 0 GHADHM COCCOc1ccc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)o1 ZINC001599258054 998337551 /nfs/dbraw/zinc/33/75/51/998337551.db2.gz HFHZDGRDKYTHFJ-UHFFFAOYSA-N -1 3 398.459 3.864 20 0 GHADHM COC(=O)c1cnc([C@@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3)C2)s1 ZINC001599009135 998882681 /nfs/dbraw/zinc/88/26/81/998882681.db2.gz JQOGLHHSDDTDJW-DOMZBBRYSA-N -1 3 394.880 3.588 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3cc(F)c(Cl)c(C(=O)[O-])c3)CC2)CC1 ZINC001594317500 999224491 /nfs/dbraw/zinc/22/44/91/999224491.db2.gz BRUQCTMFYQDNEN-UHFFFAOYSA-N -1 3 397.878 3.906 20 0 GHADHM CCc1ccc2c(c1)[C@H](CCNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N2 ZINC000468990442 1016313406 /nfs/dbraw/zinc/31/34/06/1016313406.db2.gz PVRUWLILAZXLAM-INIZCTEOSA-N -1 3 384.451 3.659 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](C(C)(C)C)C3)c2C(=O)[O-])C1 ZINC001594444595 999634525 /nfs/dbraw/zinc/63/45/25/999634525.db2.gz VSFYTLXVLPPQKI-CHWSQXEVSA-N -1 3 378.538 3.878 20 0 GHADHM COc1ccccc1N1CC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469066467 1016402206 /nfs/dbraw/zinc/40/22/06/1016402206.db2.gz WSRVEFHFQLQQRB-QGZVFWFLSA-N -1 3 386.467 3.505 20 0 GHADHM CC1(C)C(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1(C)C ZINC000469098267 1016471169 /nfs/dbraw/zinc/47/11/69/1016471169.db2.gz YGWAVIJSYUKODB-UHFFFAOYSA-N -1 3 378.416 3.698 20 0 GHADHM CCC1(CC)CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CC1 ZINC000469734616 1016607487 /nfs/dbraw/zinc/60/74/87/1016607487.db2.gz DZYWWTONOSPUKS-UHFFFAOYSA-N -1 3 391.537 3.872 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc2nc(C(F)(F)F)ccc2c1 ZINC001154862597 1032316933 /nfs/dbraw/zinc/31/69/33/1032316933.db2.gz LTILUBRIUCDXJI-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc2nc(C(F)(F)F)ccc2c1 ZINC001154862597 1032316944 /nfs/dbraw/zinc/31/69/44/1032316944.db2.gz LTILUBRIUCDXJI-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM COc1cccc2c1[C@@H](Oc1cccc([O-])c1I)CCO2 ZINC001227381845 1032396808 /nfs/dbraw/zinc/39/68/08/1032396808.db2.gz RAZRTPSQPLVPPG-ZDUSSCGKSA-N -1 3 398.196 3.908 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)c2ncccc12 ZINC001155122894 1032422820 /nfs/dbraw/zinc/42/28/20/1032422820.db2.gz QOJDKHSVRVCMPX-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)c2ncccc12 ZINC001155122894 1032422830 /nfs/dbraw/zinc/42/28/30/1032422830.db2.gz QOJDKHSVRVCMPX-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)cc1C(F)(F)F ZINC001155179612 1032447550 /nfs/dbraw/zinc/44/75/50/1032447550.db2.gz ZOWHBYRYOIYYNA-UHFFFAOYSA-N -1 3 397.744 3.841 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)cc1C(F)(F)F ZINC001155179612 1032447554 /nfs/dbraw/zinc/44/75/54/1032447554.db2.gz ZOWHBYRYOIYYNA-UHFFFAOYSA-N -1 3 397.744 3.841 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)cc1C(F)(F)F ZINC001155179612 1032447562 /nfs/dbraw/zinc/44/75/62/1032447562.db2.gz ZOWHBYRYOIYYNA-UHFFFAOYSA-N -1 3 397.744 3.841 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1c([O-])cc(Br)cc1F ZINC001227583512 1032473036 /nfs/dbraw/zinc/47/30/36/1032473036.db2.gz MJFUNOQQSYIHAK-CQSZACIVSA-N -1 3 387.176 3.596 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c([O-])cc(Br)cc1F ZINC001227583505 1032473170 /nfs/dbraw/zinc/47/31/70/1032473170.db2.gz MFUAWQKGIRWSOW-RNCFNFMXSA-N -1 3 390.249 3.928 20 0 GHADHM COc1cc(C=CC(=O)Nc2cc(=O)c(Cl)c[nH]2)cc(Br)c1[O-] ZINC001155398744 1032530858 /nfs/dbraw/zinc/53/08/58/1032530858.db2.gz IIRHCHPSHXKHHI-IHWYPQMZSA-N -1 3 399.628 3.569 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000560060451 1017537942 /nfs/dbraw/zinc/53/79/42/1017537942.db2.gz RGYYNKAPKGBQOO-UHFFFAOYSA-N -1 3 391.449 3.810 20 0 GHADHM COc1cc(C(=O)N(Cc2nc3ccccc3s2)C2CC2)cc(OC)c1[O-] ZINC000928664866 1017543815 /nfs/dbraw/zinc/54/38/15/1017543815.db2.gz PHJRCGZVJFAMEM-UHFFFAOYSA-N -1 3 384.457 3.824 20 0 GHADHM O=C(CCC(=O)N1CCSc2ccccc21)Nc1c([O-])cccc1Cl ZINC000560822374 1017728610 /nfs/dbraw/zinc/72/86/10/1017728610.db2.gz MQIQWXPMSJZEPM-UHFFFAOYSA-N -1 3 376.865 3.903 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(CC)CC)c(Cl)cc1Cl ZINC000036264466 1018130604 /nfs/dbraw/zinc/13/06/04/1018130604.db2.gz CGRNSYIVRUGPKX-LLVKDONJSA-N -1 3 395.352 3.942 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1=C(c2ccccc2)CCC1 ZINC000562515678 1018256315 /nfs/dbraw/zinc/25/63/15/1018256315.db2.gz KYCREZPEHZINCS-UHFFFAOYSA-N -1 3 390.483 3.751 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc2scc(Br)c2c1 ZINC000562547279 1018301623 /nfs/dbraw/zinc/30/16/23/1018301623.db2.gz PIJOPFVMTMDDEE-ZDUSSCGKSA-N -1 3 392.278 3.913 20 0 GHADHM O=C(Nc1ccccc1)N1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000562687070 1018536573 /nfs/dbraw/zinc/53/65/73/1018536573.db2.gz LYJBUQKJVJRCDI-HNNXBMFYSA-N -1 3 390.281 3.551 20 0 GHADHM O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc(F)cc2n[n-]nc21 ZINC000562858626 1018715115 /nfs/dbraw/zinc/71/51/15/1018715115.db2.gz FYFKUUKEUUVDNP-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000562884010 1018751763 /nfs/dbraw/zinc/75/17/63/1018751763.db2.gz BYJVXDVUEPPHIF-JKSUJKDBSA-N -1 3 394.397 3.645 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(Cl)cc2[O-])CCOCC1 ZINC000935098543 1018958906 /nfs/dbraw/zinc/95/89/06/1018958906.db2.gz COIZPPRFINGFEU-LBPRGKRZSA-N -1 3 398.887 3.694 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CO[C@@H](C)CO[C@H](C)COC ZINC001228135173 1032802839 /nfs/dbraw/zinc/80/28/39/1032802839.db2.gz XLDKBFOSPRPGBI-OWCLPIDISA-N -1 3 382.497 3.771 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCCN(CC(F)(F)F)CC3)c2c1 ZINC000565718402 1019199367 /nfs/dbraw/zinc/19/93/67/1019199367.db2.gz MDDDGVUMMPIYBQ-UHFFFAOYSA-N -1 3 381.398 3.624 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1)C(F)(F)F ZINC000041616412 1019244794 /nfs/dbraw/zinc/24/47/94/1019244794.db2.gz ASLQITRZJNEIAX-UHFFFAOYSA-N -1 3 396.749 3.781 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000568342426 1019395014 /nfs/dbraw/zinc/39/50/14/1019395014.db2.gz GDFDQYNYFKMIRQ-GOSISDBHSA-N -1 3 377.282 3.943 20 0 GHADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000571987379 1019732219 /nfs/dbraw/zinc/73/22/19/1019732219.db2.gz WWSBWLYKKMLPIR-OFQRWUPVSA-N -1 3 376.884 3.659 20 0 GHADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000571987380 1019732360 /nfs/dbraw/zinc/73/23/60/1019732360.db2.gz WWSBWLYKKMLPIR-YCPHGPKFSA-N -1 3 376.884 3.659 20 0 GHADHM Cc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(Sc2ccccc2)c1 ZINC000574793019 1019910559 /nfs/dbraw/zinc/91/05/59/1019910559.db2.gz PJIDCKCFGDKTDE-UHFFFAOYSA-N -1 3 377.469 3.840 20 0 GHADHM COc1ccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c(OC(C)C)c1 ZINC000189776823 1020499109 /nfs/dbraw/zinc/49/91/09/1020499109.db2.gz FRCJZMKIEGZUBY-UHFFFAOYSA-N -1 3 397.258 3.864 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1C(F)(F)F ZINC001204484667 1032919382 /nfs/dbraw/zinc/91/93/82/1032919382.db2.gz OWDFVPQQYYUGQD-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1C(F)(F)F ZINC001204484667 1032919387 /nfs/dbraw/zinc/91/93/87/1032919387.db2.gz OWDFVPQQYYUGQD-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC[C@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000779274732 1020673665 /nfs/dbraw/zinc/67/36/65/1020673665.db2.gz SHCPCPZVCXUCFM-IBGZPJMESA-N -1 3 391.489 3.910 20 0 GHADHM O=C([O-])[C@@H](CCSc1ccccc1)NCc1ncc(Br)cc1F ZINC000630458495 1020824384 /nfs/dbraw/zinc/82/43/84/1020824384.db2.gz AEBWSWYADQODTJ-CQSZACIVSA-N -1 3 399.285 3.708 20 0 GHADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1cccc(Cl)c1F ZINC000642376209 1021090310 /nfs/dbraw/zinc/09/03/10/1021090310.db2.gz NJFFSFCLQALWKI-INIZCTEOSA-N -1 3 382.888 3.595 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000647365774 1021144965 /nfs/dbraw/zinc/14/49/65/1021144965.db2.gz IFRLUSWSXUYRGM-SWHYSGLUSA-N -1 3 379.819 3.747 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001156285501 1032958522 /nfs/dbraw/zinc/95/85/22/1032958522.db2.gz MRNABLBHCFLCFT-KRWDZBQOSA-N -1 3 387.443 3.860 20 0 GHADHM C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273765 1021299828 /nfs/dbraw/zinc/29/98/28/1021299828.db2.gz YCHZNTNYBMIFBH-NWDGAFQWSA-N -1 3 383.448 3.528 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](C)Oc2ccc(C(C)C)cc2)c([O-])c1 ZINC001140309239 1021367778 /nfs/dbraw/zinc/36/77/78/1021367778.db2.gz YJXRACDOMZGXPZ-KRWDZBQOSA-N -1 3 398.503 3.528 20 0 GHADHM CC1(C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CCOCC1 ZINC000902896758 1021548189 /nfs/dbraw/zinc/54/81/89/1021548189.db2.gz HLTYGCSIHHGKSO-UHFFFAOYSA-N -1 3 386.748 3.779 20 0 GHADHM C[C@H](COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000748253982 1021678536 /nfs/dbraw/zinc/67/85/36/1021678536.db2.gz ZLIBNCHWEFLEJE-CXAGYDPISA-N -1 3 395.377 3.995 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(Cc3ccccc3)CC2)c1Br ZINC001140547653 1021949244 /nfs/dbraw/zinc/94/92/44/1021949244.db2.gz ZBDIAEDXPLHVFO-UHFFFAOYSA-N -1 3 376.294 3.724 20 0 GHADHM [O-]c1cccc(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c1Br ZINC001140555657 1021959475 /nfs/dbraw/zinc/95/94/75/1021959475.db2.gz QXJJIBKRAIIYLP-HNNXBMFYSA-N -1 3 389.284 3.850 20 0 GHADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725829140 1022386357 /nfs/dbraw/zinc/38/63/57/1022386357.db2.gz VUQBCLUIQOCCLH-LLVKDONJSA-N -1 3 389.304 3.697 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699954 1033053327 /nfs/dbraw/zinc/05/33/27/1033053327.db2.gz LNBSMHLZQKNFDJ-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1[O-] ZINC000754270211 1022574437 /nfs/dbraw/zinc/57/44/37/1022574437.db2.gz DBVWUVQOZWFSHA-LLVKDONJSA-N -1 3 393.823 3.555 20 0 GHADHM CN(CCCC(=O)Nc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000754440542 1022707889 /nfs/dbraw/zinc/70/78/89/1022707889.db2.gz OCAIACXMLGKTPW-UHFFFAOYSA-N -1 3 387.274 3.740 20 0 GHADHM CCOC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000754441154 1022708010 /nfs/dbraw/zinc/70/80/10/1022708010.db2.gz TUWDSFBQIXUTPF-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM COC(=O)c1ccc2[nH]c(C(=O)Nc3cc(Br)ccc3[O-])cc2c1 ZINC001156510190 1033075462 /nfs/dbraw/zinc/07/54/62/1033075462.db2.gz ANJOXZJUEQDOIS-UHFFFAOYSA-N -1 3 389.205 3.675 20 0 GHADHM Cc1ccc(Cc2cnc(NC([O-])=NO[C@@H](CO)C(C)C)s2)cc1Cl ZINC000836230229 1022751916 /nfs/dbraw/zinc/75/19/16/1022751916.db2.gz LZTOXLTXPIXKQK-HNNXBMFYSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1ccc(Cc2cnc(NC(=O)[N-]O[C@@H](CO)C(C)C)s2)cc1Cl ZINC000836230229 1022751929 /nfs/dbraw/zinc/75/19/29/1022751929.db2.gz LZTOXLTXPIXKQK-HNNXBMFYSA-N -1 3 383.901 3.766 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(NCCc2ccsc2)nc1 ZINC001156523187 1033082557 /nfs/dbraw/zinc/08/25/57/1033082557.db2.gz NGPZRAMFWUVNAV-UHFFFAOYSA-N -1 3 395.456 3.877 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000754724019 1022859341 /nfs/dbraw/zinc/85/93/41/1022859341.db2.gz PFFWYHQYIRROEQ-CQSZACIVSA-N -1 3 397.372 3.704 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(Cc3ccc(C(=O)[O-])o3)C2)C1 ZINC001140943812 1022948358 /nfs/dbraw/zinc/94/83/58/1022948358.db2.gz CQWVFLUMWLYBPG-HXUWFJFHSA-N -1 3 378.469 3.591 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001140966227 1023028184 /nfs/dbraw/zinc/02/81/84/1023028184.db2.gz UWIRMVBLWCLNMS-UHFFFAOYSA-N -1 3 394.393 3.557 20 0 GHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000755085772 1023065923 /nfs/dbraw/zinc/06/59/23/1023065923.db2.gz RZDHZNXXOMTJHM-UHFFFAOYSA-N -1 3 379.913 3.807 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140988804 1023095213 /nfs/dbraw/zinc/09/52/13/1023095213.db2.gz MXKNIUFFGOHYMJ-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4cc(F)c([O-])c(F)c4)C3)CC2=O)s1 ZINC001140989743 1023099540 /nfs/dbraw/zinc/09/95/40/1023099540.db2.gz CONAEDQWKGDCJH-IBGZPJMESA-N -1 3 378.444 3.669 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140989953 1023100237 /nfs/dbraw/zinc/10/02/37/1023100237.db2.gz HPLDRAORSDIRBT-LJQANCHMSA-N -1 3 378.444 3.751 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000755180984 1023112468 /nfs/dbraw/zinc/11/24/68/1023112468.db2.gz TWHOPFJDGACPNX-VVVCHXIZSA-N -1 3 397.258 3.509 20 0 GHADHM CC[C@@](C)(NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000755293635 1023175327 /nfs/dbraw/zinc/17/53/27/1023175327.db2.gz FVVQJQFSQUURNP-JOCHJYFZSA-N -1 3 393.443 3.996 20 0 GHADHM CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc([O-])c(F)c1 ZINC000755867911 1023410369 /nfs/dbraw/zinc/41/03/69/1023410369.db2.gz QAYJZTQGDFDXSJ-IBGZPJMESA-N -1 3 384.407 3.635 20 0 GHADHM COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1ccc([O-])c(F)c1 ZINC000755906282 1023429762 /nfs/dbraw/zinc/42/97/62/1023429762.db2.gz WFIMYCBTFXLSAS-GOSISDBHSA-N -1 3 388.370 3.697 20 0 GHADHM Cc1cc(C)cc(-n2ncc(CNC[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)n2)c1 ZINC000756303420 1023585032 /nfs/dbraw/zinc/58/50/32/1023585032.db2.gz VIYCTKQSWOBQJG-QGZVFWFLSA-N -1 3 398.894 3.886 20 0 GHADHM COCCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000756347926 1023599860 /nfs/dbraw/zinc/59/98/60/1023599860.db2.gz JMODBQSWZBFZKE-KRWDZBQOSA-N -1 3 383.366 3.646 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-n2cncn2)cc1 ZINC000756871958 1023842658 /nfs/dbraw/zinc/84/26/58/1023842658.db2.gz VVPRARBUSZWYNC-NSHDSACASA-N -1 3 378.329 3.515 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)Nc1cccc2ccccc21 ZINC000756965869 1023889996 /nfs/dbraw/zinc/88/99/96/1023889996.db2.gz UCTGWZFVWQVUGW-UHFFFAOYSA-N -1 3 390.336 3.965 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)[N-]OCc2cccnc2)c1Cl ZINC000830757639 1024132952 /nfs/dbraw/zinc/13/29/52/1024132952.db2.gz QPTNBTCZLLWNAW-UHFFFAOYSA-N -1 3 391.855 3.873 20 0 GHADHM Cc1ccc(C)c(N2CCN(Cc3cn(CC(=O)[O-])c4ccccc34)CC2)c1 ZINC001138187594 1024330902 /nfs/dbraw/zinc/33/09/02/1024330902.db2.gz RETVXYVWRWJCTE-UHFFFAOYSA-N -1 3 377.488 3.665 20 0 GHADHM O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC001138203574 1024357607 /nfs/dbraw/zinc/35/76/07/1024357607.db2.gz ASYDQXYEPDERGW-IBGZPJMESA-N -1 3 392.524 3.893 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000837563105 1024554464 /nfs/dbraw/zinc/55/44/64/1024554464.db2.gz XGOZBTWPJNVTBJ-GFCCVEGCSA-N -1 3 385.445 3.679 20 0 GHADHM COc1ccc(CC(C)(C)NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001138298044 1024584191 /nfs/dbraw/zinc/58/41/91/1024584191.db2.gz CUMJYXWWKAQOKN-UHFFFAOYSA-N -1 3 386.398 3.566 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn4ccc(C)cc34)nc(=O)c2c1C ZINC000837814450 1024729314 /nfs/dbraw/zinc/72/93/14/1024729314.db2.gz ALFZCOWEXQTNGC-LLVKDONJSA-N -1 3 382.445 3.888 20 0 GHADHM COc1ccc(OCC(=O)Nc2c([O-])ccc(Br)c2C)cc1C ZINC001141436589 1025052752 /nfs/dbraw/zinc/05/27/52/1025052752.db2.gz BLEUIRVJHMRYQI-UHFFFAOYSA-N -1 3 380.238 3.798 20 0 GHADHM O=C(NCc1ccccc1CN1CCCC1=O)c1cc2sccc2c([O-])c1 ZINC001141444990 1025074179 /nfs/dbraw/zinc/07/41/79/1025074179.db2.gz FFIFNGIMIQZJGR-UHFFFAOYSA-N -1 3 380.469 3.659 20 0 GHADHM C[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000838895468 1025424384 /nfs/dbraw/zinc/42/43/84/1025424384.db2.gz QPCNYERVOISPKP-MAUKXSAKSA-N -1 3 398.507 3.584 20 0 GHADHM CCOc1cc(CNc2ccc(OC(C)C)c(C(N)=O)c2)cc(Cl)c1[O-] ZINC000839067306 1025556748 /nfs/dbraw/zinc/55/67/48/1025556748.db2.gz QSPYHIVGOQKXGC-UHFFFAOYSA-N -1 3 378.856 3.943 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1NCc1cnccc1C(F)(F)F ZINC001162294081 1025705288 /nfs/dbraw/zinc/70/52/88/1025705288.db2.gz NILQRZWVZKWEDS-UHFFFAOYSA-N -1 3 399.398 3.550 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCc1cnccc1C(F)(F)F ZINC001162294081 1025705299 /nfs/dbraw/zinc/70/52/99/1025705299.db2.gz NILQRZWVZKWEDS-UHFFFAOYSA-N -1 3 399.398 3.550 20 0 GHADHM Fc1cc(F)c2c(c1)[C@@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)CCO2 ZINC001162405194 1025737217 /nfs/dbraw/zinc/73/72/17/1025737217.db2.gz DYJXCXGZZDTSRX-VIFPVBQESA-N -1 3 379.766 3.860 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)c([O-])c1 ZINC001163432067 1026191705 /nfs/dbraw/zinc/19/17/05/1026191705.db2.gz PDZZCEAXAPJHCG-IBGZPJMESA-N -1 3 392.293 3.916 20 0 GHADHM CCc1cccc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1[O-] ZINC000839827100 1026294830 /nfs/dbraw/zinc/29/48/30/1026294830.db2.gz WONYKYYHUVYPMB-INIZCTEOSA-N -1 3 378.266 3.523 20 0 GHADHM CSCC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000834364841 1026952499 /nfs/dbraw/zinc/95/24/99/1026952499.db2.gz QXZOBBRTAYBILC-UHFFFAOYSA-N -1 3 395.322 3.506 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(F)c(OC)c1Cl ZINC001209803550 1027203821 /nfs/dbraw/zinc/20/38/21/1027203821.db2.gz BIANJJIHSVXVLA-UHFFFAOYSA-N -1 3 383.832 3.849 20 0 GHADHM CSCCCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001209891985 1027264864 /nfs/dbraw/zinc/26/48/64/1027264864.db2.gz ZCYQFHXEZMIKLQ-UHFFFAOYSA-N -1 3 386.764 3.832 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2F)s1 ZINC001209852483 1027244968 /nfs/dbraw/zinc/24/49/68/1027244968.db2.gz BBEIDJLLNVSLSI-INIZCTEOSA-N -1 3 392.477 3.553 20 0 GHADHM CC[C@@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)Oc1cccc(C)c1 ZINC001141794631 1027299666 /nfs/dbraw/zinc/29/96/66/1027299666.db2.gz RVWQRPRVXQOODK-ZDUSSCGKSA-N -1 3 386.398 3.702 20 0 GHADHM [O-]c1c(Cl)cccc1Nc1cnc(I)c(Cl)n1 ZINC001210218853 1027388408 /nfs/dbraw/zinc/38/84/08/1027388408.db2.gz DUIQBNGURZFKKT-UHFFFAOYSA-N -1 3 381.988 3.837 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)c(N)c2)cc1OCc1ccccc1 ZINC001210257809 1027407889 /nfs/dbraw/zinc/40/78/89/1027407889.db2.gz XMHPQLNREYPODW-UHFFFAOYSA-N -1 3 383.473 3.539 20 0 GHADHM [O-]c1cc(Br)cnc1Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC001210974959 1027732034 /nfs/dbraw/zinc/73/20/34/1027732034.db2.gz IZKZCTUHTKYRPW-UHFFFAOYSA-N -1 3 384.661 3.783 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccc(C)o1 ZINC001211368819 1027924522 /nfs/dbraw/zinc/92/45/22/1027924522.db2.gz NQOYHVPSBTXMED-HNNXBMFYSA-N -1 3 392.502 3.768 20 0 GHADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1(C)C ZINC001211444784 1027962883 /nfs/dbraw/zinc/96/28/83/1027962883.db2.gz WIWGRPVYJGFUHW-OLZOCXBDSA-N -1 3 399.406 3.595 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c(-c2ccccc2)s1 ZINC001211453789 1027968218 /nfs/dbraw/zinc/96/82/18/1027968218.db2.gz QCDIRYGYKMMKHO-HKUYNNGSSA-N -1 3 392.546 3.602 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1CCC(c2ccc(F)cc2)CC1 ZINC001211474394 1027977920 /nfs/dbraw/zinc/97/79/20/1027977920.db2.gz FEJAPCQMGWQAFV-YIRWSUKISA-N -1 3 390.546 3.583 20 0 GHADHM O=C(c1cccc(F)c1)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142111585 1028143028 /nfs/dbraw/zinc/14/30/28/1028143028.db2.gz RAWYFQFFVKDBBK-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118590 1028170838 /nfs/dbraw/zinc/17/08/38/1028170838.db2.gz RTWGMQARWCSWCF-ZDUSSCGKSA-N -1 3 377.271 3.929 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)nc1Cl ZINC001213492823 1028224845 /nfs/dbraw/zinc/22/48/45/1028224845.db2.gz IKXDUHRRHOJTAH-LSDHHAIUSA-N -1 3 381.929 3.714 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1([C@H]2CCCCO2)CCC1 ZINC001213498995 1028228834 /nfs/dbraw/zinc/22/88/34/1028228834.db2.gz OUFCRDBZNSWEIS-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)n1 ZINC001213996114 1028500226 /nfs/dbraw/zinc/50/02/26/1028500226.db2.gz NDUIRCSWSVJVNN-UHFFFAOYSA-N -1 3 385.898 3.714 20 0 GHADHM COc1cc(-c2nc(-c3ncc(Br)cc3C)no2)cc(OC)c1[O-] ZINC001215208302 1029090085 /nfs/dbraw/zinc/09/00/85/1029090085.db2.gz OUCYWBWUZPECJX-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM CCOc1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1Br ZINC001215302190 1029139972 /nfs/dbraw/zinc/13/99/72/1029139972.db2.gz SRMVRTSPWDLHIH-UHFFFAOYSA-N -1 3 377.194 3.976 20 0 GHADHM CCc1cccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)c1[O-] ZINC001142631280 1029182466 /nfs/dbraw/zinc/18/24/66/1029182466.db2.gz NGKKOCXPBKZWQF-INMHGKMJSA-N -1 3 390.524 3.966 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(Cl)c(F)cc3F)no2)cc1 ZINC001215445793 1029212023 /nfs/dbraw/zinc/21/20/23/1029212023.db2.gz KGIOPGQYKULCSD-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM Cc1cccc(N2C[C@]3(CCN(Cc4ccc(Cl)cc4C(=O)[O-])C3)CC2=O)c1 ZINC001142653280 1029212586 /nfs/dbraw/zinc/21/25/86/1029212586.db2.gz KAMXAQNMRAJHDZ-JOCHJYFZSA-N -1 3 398.890 3.976 20 0 GHADHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1Nc1cc(F)c([O-])cc1F ZINC001215570765 1029287074 /nfs/dbraw/zinc/28/70/74/1029287074.db2.gz NFGUQWXMYUOLBI-UHFFFAOYSA-N -1 3 384.404 3.662 20 0 GHADHM CC(C)NC(=O)c1cc(Br)cnc1Nc1cc(F)c([O-])cc1F ZINC001215572142 1029288813 /nfs/dbraw/zinc/28/88/13/1029288813.db2.gz MSMARFBDZOHUKF-UHFFFAOYSA-N -1 3 386.196 3.710 20 0 GHADHM [O-]c1cc(F)c(Nc2cc(I)c3nccn3c2)cc1F ZINC001215572189 1029289381 /nfs/dbraw/zinc/28/93/81/1029289381.db2.gz PHOXDJMUHSDGIZ-UHFFFAOYSA-N -1 3 387.127 3.666 20 0 GHADHM CC(C)COc1ccc2cc([N-]S(=O)(=O)c3ccc(O)c(N)c3)ccc2c1 ZINC001215679862 1029344733 /nfs/dbraw/zinc/34/47/33/1029344733.db2.gz YEVMQGNMTWCRNN-UHFFFAOYSA-N -1 3 386.473 3.963 20 0 GHADHM Clc1ccnc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)cc12 ZINC001216107681 1029526599 /nfs/dbraw/zinc/52/65/99/1029526599.db2.gz ATFHHRBAUOKPER-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)cc12 ZINC001216107681 1029526605 /nfs/dbraw/zinc/52/66/05/1029526605.db2.gz ATFHHRBAUOKPER-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Cc1c(Br)cccc1-c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001216121336 1029531457 /nfs/dbraw/zinc/53/14/57/1029531457.db2.gz LGYUKMYWEBZLEO-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1c(Br)cccc1-c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001216121336 1029531465 /nfs/dbraw/zinc/53/14/65/1029531465.db2.gz LGYUKMYWEBZLEO-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(Br)c(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC001216118065 1029531838 /nfs/dbraw/zinc/53/18/38/1029531838.db2.gz WCPDOVLZXSKYEC-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(Br)c(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC001216118065 1029531841 /nfs/dbraw/zinc/53/18/41/1029531841.db2.gz WCPDOVLZXSKYEC-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2)[n-]n1 ZINC001142900837 1029660840 /nfs/dbraw/zinc/66/08/40/1029660840.db2.gz QHUCUJALSSILQE-UHFFFAOYSA-N -1 3 379.844 3.816 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[n-]1 ZINC001142900837 1029660845 /nfs/dbraw/zinc/66/08/45/1029660845.db2.gz QHUCUJALSSILQE-UHFFFAOYSA-N -1 3 379.844 3.816 20 0 GHADHM COc1ccc(CCC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1Cl ZINC001142901192 1029660954 /nfs/dbraw/zinc/66/09/54/1029660954.db2.gz SHFJLIJVDWJKLA-UHFFFAOYSA-N -1 3 379.844 3.598 20 0 GHADHM COc1ccc(CCC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1Cl ZINC001142901192 1029660958 /nfs/dbraw/zinc/66/09/58/1029660958.db2.gz SHFJLIJVDWJKLA-UHFFFAOYSA-N -1 3 379.844 3.598 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)[n-]n1 ZINC001142913921 1029685045 /nfs/dbraw/zinc/68/50/45/1029685045.db2.gz RXPQDOXHFAKHAB-CMDGGOBGSA-N -1 3 397.353 3.916 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)n[n-]1 ZINC001142913921 1029685053 /nfs/dbraw/zinc/68/50/53/1029685053.db2.gz RXPQDOXHFAKHAB-CMDGGOBGSA-N -1 3 397.353 3.916 20 0 GHADHM Cc1cc(C)c(N2CC[C@@H](N3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)C2=O)c(C)c1 ZINC000842938554 1029700281 /nfs/dbraw/zinc/70/02/81/1029700281.db2.gz MYSWTHGVYXROAF-QHAWAJNXSA-N -1 3 392.499 3.517 20 0 GHADHM CC(C)=CCSC[C@H](NCc1cc(Br)cnc1Cl)C(=O)[O-] ZINC000843304286 1029904002 /nfs/dbraw/zinc/90/40/02/1029904002.db2.gz YHZQCSNGMSRSAL-LBPRGKRZSA-N -1 3 393.734 3.740 20 0 GHADHM COc1ccc(-c2nc(-c3cc(C)c(Br)cn3)no2)c([O-])c1OC ZINC001216765563 1029924265 /nfs/dbraw/zinc/92/42/65/1029924265.db2.gz QEFBLVPCRRWDST-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3Cl)no2)c([O-])c1OC ZINC001216765817 1029926006 /nfs/dbraw/zinc/92/60/06/1029926006.db2.gz WRDRZDJMABHIBJ-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3ccc([O-])cc3C(F)(F)F)n2)cc1 ZINC001216983299 1030051167 /nfs/dbraw/zinc/05/11/67/1030051167.db2.gz RPKIWYJTKCTCHQ-UHFFFAOYSA-N -1 3 393.321 3.761 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)c1 ZINC001217257148 1030262787 /nfs/dbraw/zinc/26/27/87/1030262787.db2.gz OAZKXXMYVRIAFM-UHFFFAOYSA-N -1 3 383.795 3.567 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)c1 ZINC001217257148 1030262797 /nfs/dbraw/zinc/26/27/97/1030262797.db2.gz OAZKXXMYVRIAFM-UHFFFAOYSA-N -1 3 383.795 3.567 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001217298210 1030292391 /nfs/dbraw/zinc/29/23/91/1030292391.db2.gz XKKFXUPPOKNCBI-UHFFFAOYSA-N -1 3 377.356 3.790 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(Cl)c(F)c3Cl)no2)C1=O ZINC001217355682 1030332548 /nfs/dbraw/zinc/33/25/48/1030332548.db2.gz VVMXQOPJTKFGQA-UHFFFAOYSA-N -1 3 378.146 3.984 20 0 GHADHM CC(C)C1(CNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC001222896582 1030342556 /nfs/dbraw/zinc/34/25/56/1030342556.db2.gz JUXFQNVLENEECR-CQSZACIVSA-N -1 3 397.441 3.805 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccc2c(c1)onc2-c1nccs1 ZINC001150121504 1030407723 /nfs/dbraw/zinc/40/77/23/1030407723.db2.gz HCGPKHJQJNXJNR-UHFFFAOYSA-N -1 3 377.385 3.786 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001217471438 1030420910 /nfs/dbraw/zinc/42/09/10/1030420910.db2.gz RDHAPYKQEPFLTK-UHFFFAOYSA-N -1 3 389.415 3.667 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc(N5CCCC5)cc4)no3)n[n-]c21 ZINC001217471438 1030420918 /nfs/dbraw/zinc/42/09/18/1030420918.db2.gz RDHAPYKQEPFLTK-UHFFFAOYSA-N -1 3 389.415 3.667 20 0 GHADHM COc1cc(Br)cnc1-c1noc(-c2ccc([O-])c3ncccc23)n1 ZINC001217491966 1030439159 /nfs/dbraw/zinc/43/91/59/1030439159.db2.gz NHBNHKGYJDFAON-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc21 ZINC001150331251 1030491911 /nfs/dbraw/zinc/49/19/11/1030491911.db2.gz UWUJBZJHNHZWHJ-SNVBAGLBSA-N -1 3 397.381 3.529 20 0 GHADHM Cn1c(CNC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)cc2ccccc21 ZINC001150475568 1030537760 /nfs/dbraw/zinc/53/77/60/1030537760.db2.gz FRMRAFWWLRARJK-UHFFFAOYSA-N -1 3 399.372 3.969 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc3scnc3c2)no1 ZINC001217636851 1030559859 /nfs/dbraw/zinc/55/98/59/1030559859.db2.gz JOTUJTCHBJUIHY-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001217636452 1030560115 /nfs/dbraw/zinc/56/01/15/1030560115.db2.gz CUYICIUYTSQKMI-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM CCCOc1ccc(-c2noc(-c3n[n-]c4cc(C(=O)OC)ccc43)n2)cc1 ZINC001217636628 1030560677 /nfs/dbraw/zinc/56/06/77/1030560677.db2.gz LBFJXFVMGDDHHS-UHFFFAOYSA-N -1 3 378.388 3.855 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001217637310 1030561719 /nfs/dbraw/zinc/56/17/19/1030561719.db2.gz ZBWRBPCDTWQCMA-UHFFFAOYSA-N -1 3 376.372 3.608 20 0 GHADHM O=C(N[C@@H]1COc2ccccc2C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001151011539 1030744660 /nfs/dbraw/zinc/74/46/60/1030744660.db2.gz JXJGEUUKIPHZIP-GOSISDBHSA-N -1 3 375.380 3.558 20 0 GHADHM Cc1cc2c(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)csc2s1 ZINC001151183935 1030796675 /nfs/dbraw/zinc/79/66/75/1030796675.db2.gz AMWFVTPQIQRIKC-SNVBAGLBSA-N -1 3 384.523 3.775 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC001151185791 1030798661 /nfs/dbraw/zinc/79/86/61/1030798661.db2.gz RYDIBLFKWKPJSV-UONOGXRCSA-N -1 3 384.904 3.870 20 0 GHADHM O=c1c(OC2CCC3(C[NH2+]C3)CC2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218262767 1030860329 /nfs/dbraw/zinc/86/03/29/1030860329.db2.gz LDSVXXLHQCLHHV-UHFFFAOYSA-N -1 3 393.439 3.782 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)N(CCCOC)c1ccccc1N ZINC001151374119 1030886182 /nfs/dbraw/zinc/88/61/82/1030886182.db2.gz MXCDSWFHZYEGOI-UHFFFAOYSA-N -1 3 395.459 3.610 20 0 GHADHM CC(C)=CCN1CCC2(CCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)C1=O ZINC001276992325 1031086668 /nfs/dbraw/zinc/08/66/68/1031086668.db2.gz OQFLKLYYZXLYIW-UHFFFAOYSA-N -1 3 380.891 3.965 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(Br)cc2c1OCC2 ZINC001152434269 1031237085 /nfs/dbraw/zinc/23/70/85/1031237085.db2.gz YCHAVTQRWSDVEY-UHFFFAOYSA-N -1 3 376.206 3.545 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])cnn1-c1ccccc1 ZINC001153020659 1031432895 /nfs/dbraw/zinc/43/28/95/1031432895.db2.gz YJNHGMFUGSURMP-UHFFFAOYSA-N -1 3 393.443 3.959 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)c(Cl)c1 ZINC001153103780 1031463559 /nfs/dbraw/zinc/46/35/59/1031463559.db2.gz JIIPXUWQKVSNMG-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM Cc1nn(CCNC(=O)c2c([O-])ccc3ccccc32)c(C)c1Br ZINC001153503561 1031620054 /nfs/dbraw/zinc/62/00/54/1031620054.db2.gz BAMCYSKKKNJCSQ-UHFFFAOYSA-N -1 3 388.265 3.551 20 0 GHADHM O=C(c1cnc2cccnc2c1[O-])N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001153855439 1031772715 /nfs/dbraw/zinc/77/27/15/1031772715.db2.gz BVNLKYDJDLEKMK-UHFFFAOYSA-N -1 3 399.853 3.811 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2cccnc2c1[O-] ZINC001153861617 1031777550 /nfs/dbraw/zinc/77/75/50/1031777550.db2.gz GSXAFFHHYBIMPU-UHFFFAOYSA-N -1 3 383.451 3.875 20 0 GHADHM O=C(NC1CC2(C1)CC(F)(F)C2)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153882090 1031790692 /nfs/dbraw/zinc/79/06/92/1031790692.db2.gz ZULAPNXNQSICJB-UHFFFAOYSA-N -1 3 397.219 3.598 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=S)ncc2C2CC2)[C@@H](F)CC1 ZINC001226117443 1031795881 /nfs/dbraw/zinc/79/58/81/1031795881.db2.gz NEBAXKCGIJROCC-UONOGXRCSA-N -1 3 383.489 3.759 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3[n-]c(=S)ncc3C3CC3)C[C@@H]21 ZINC001226120149 1031797536 /nfs/dbraw/zinc/79/75/36/1031797536.db2.gz QOOJPOLMUONHOJ-IPYPFGDCSA-N -1 3 377.510 3.810 20 0 GHADHM COc1cc(NC(=O)c2c([O-])cc3ccccc3c2O)ncc1C(F)(F)F ZINC001154022941 1031879612 /nfs/dbraw/zinc/87/96/12/1031879612.db2.gz JCIKZIZLHKSPDQ-UHFFFAOYSA-N -1 3 378.306 3.926 20 0 GHADHM O=C(Nc1ccc(-c2cc(CO)on2)cc1)c1c([O-])cc2ccccc2c1O ZINC001154027967 1031885309 /nfs/dbraw/zinc/88/53/09/1031885309.db2.gz KXBFUQJSTZKZEI-UHFFFAOYSA-N -1 3 376.368 3.651 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001154193859 1031978402 /nfs/dbraw/zinc/97/84/02/1031978402.db2.gz XIIWNZQCEBHAQZ-UHFFFAOYSA-N -1 3 399.863 3.673 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001154193859 1031978408 /nfs/dbraw/zinc/97/84/08/1031978408.db2.gz XIIWNZQCEBHAQZ-UHFFFAOYSA-N -1 3 399.863 3.673 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc12 ZINC001226533174 1031998828 /nfs/dbraw/zinc/99/88/28/1031998828.db2.gz BQGMCKYUVRFRSU-BETUJISGSA-N -1 3 375.421 3.584 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001226533786 1031999953 /nfs/dbraw/zinc/99/99/53/1031999953.db2.gz IWIBGHRCTVUWIX-CYBMUJFWSA-N -1 3 375.421 3.585 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC(F)(F)C1 ZINC001226597486 1032031832 /nfs/dbraw/zinc/03/18/32/1032031832.db2.gz UOFSWFPNGLQCJO-GFCCVEGCSA-N -1 3 397.374 3.522 20 0 GHADHM C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157232137 1033483684 /nfs/dbraw/zinc/48/36/84/1033483684.db2.gz AVEAFAIDACNKFT-SECBINFHSA-N -1 3 399.373 3.662 20 0 GHADHM C=Cc1cc([O-])cc2nc(-c3ccc(OC[C@H]4CN(C)CCO4)c(F)c3)oc21 ZINC001229709390 1033655579 /nfs/dbraw/zinc/65/55/79/1033655579.db2.gz IIYFQYKEZVJCMF-MRXNPFEDSA-N -1 3 384.407 3.692 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)ccc1Cl ZINC001206060329 1033704262 /nfs/dbraw/zinc/70/42/62/1033704262.db2.gz PBGOZDSSHUXIQM-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM COC[C@@H](C)OC[C@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229811638 1033733251 /nfs/dbraw/zinc/73/32/51/1033733251.db2.gz SNSPUGNZCCPTEB-KGLIPLIRSA-N -1 3 376.449 3.884 20 0 GHADHM Cc1cc(F)c(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1F ZINC001158344564 1034035425 /nfs/dbraw/zinc/03/54/25/1034035425.db2.gz DKDKUUJLBHSADS-UHFFFAOYSA-N -1 3 385.370 3.535 20 0 GHADHM Cc1cc(F)c(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1F ZINC001158344564 1034035435 /nfs/dbraw/zinc/03/54/35/1034035435.db2.gz DKDKUUJLBHSADS-UHFFFAOYSA-N -1 3 385.370 3.535 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N(O)Cc1ccccc1Cl ZINC001230418448 1034042908 /nfs/dbraw/zinc/04/29/08/1034042908.db2.gz MWGGJRUDGZTZAW-UHFFFAOYSA-N -1 3 385.645 3.909 20 0 GHADHM CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)[nH]n2)c1C ZINC001159063535 1034408200 /nfs/dbraw/zinc/40/82/00/1034408200.db2.gz NVOFPSOSWXFTHO-JTQLQIEISA-N -1 3 393.451 3.695 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 ZINC001159126778 1034437348 /nfs/dbraw/zinc/43/73/48/1034437348.db2.gz RLTWODZOGOQWLM-AUUYWEPGSA-N -1 3 384.451 3.576 20 0 GHADHM CC(=O)[C@@H](C)Oc1c(C)cc(S(=O)(=O)c2cc(C)c([O-])c(C)c2)cc1C ZINC001231199261 1034460469 /nfs/dbraw/zinc/46/04/69/1034460469.db2.gz AXOCOTUNXMMCQV-MRXNPFEDSA-N -1 3 376.474 3.815 20 0 GHADHM CC[C@@H]1N(Cc2cc(C(=O)[O-])ccc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001231458627 1034602466 /nfs/dbraw/zinc/60/24/66/1034602466.db2.gz YCZPVDFJYRCMHL-UGKGYDQZSA-N -1 3 388.483 3.670 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](c2ccccc2)CC1 ZINC001159548876 1034657024 /nfs/dbraw/zinc/65/70/24/1034657024.db2.gz DCGKDPJYFDILSW-KRWDZBQOSA-N -1 3 376.250 3.759 20 0 GHADHM COc1ccccc1CN1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231525010 1034676563 /nfs/dbraw/zinc/67/65/63/1034676563.db2.gz RBSXZOKWQLAJDU-UHFFFAOYSA-N -1 3 380.410 3.737 20 0 GHADHM CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277547324 1034815798 /nfs/dbraw/zinc/81/57/98/1034815798.db2.gz FPVAAZPNHUUECX-ACJLOTCBSA-N -1 3 381.314 3.520 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)n1 ZINC001231673900 1034825499 /nfs/dbraw/zinc/82/54/99/1034825499.db2.gz RNOHKJLRYCOINP-IBGZPJMESA-N -1 3 383.492 3.890 20 0 GHADHM CC(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277550820 1034834101 /nfs/dbraw/zinc/83/41/01/1034834101.db2.gz GATGSPRVUDQFMK-OAHLLOKOSA-N -1 3 395.341 3.529 20 0 GHADHM O=C(NCC1=CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001160042962 1034840894 /nfs/dbraw/zinc/84/08/94/1034840894.db2.gz DSELXRHOUZQZDR-UHFFFAOYSA-N -1 3 388.464 3.857 20 0 GHADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001208295519 1034849362 /nfs/dbraw/zinc/84/93/62/1034849362.db2.gz XNDWRMWTCUKRAR-SNVBAGLBSA-N -1 3 382.295 3.844 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001231791015 1034910868 /nfs/dbraw/zinc/91/08/68/1034910868.db2.gz HLVKYYULTGZGQG-NFBKMPQASA-N -1 3 381.472 3.689 20 0 GHADHM CC1(C)OC2(CCN(Cc3ccccc3OCC(=O)[O-])CC2)c2ccccc21 ZINC001231796065 1034914206 /nfs/dbraw/zinc/91/42/06/1034914206.db2.gz GKRQYMNHNQXWJA-UHFFFAOYSA-N -1 3 381.472 3.907 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc1F ZINC001208640928 1034965494 /nfs/dbraw/zinc/96/54/94/1034965494.db2.gz LDHWLUXQMSJDFU-UHFFFAOYSA-N -1 3 375.343 3.526 20 0 GHADHM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001160460431 1034981501 /nfs/dbraw/zinc/98/15/01/1034981501.db2.gz YXRNUJXWTRXLPL-QGZVFWFLSA-N -1 3 392.421 3.740 20 0 GHADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC001160516495 1034992672 /nfs/dbraw/zinc/99/26/72/1034992672.db2.gz FEELVWFVVHNVHW-UHFFFAOYSA-N -1 3 388.383 3.557 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001209108702 1035177158 /nfs/dbraw/zinc/17/71/58/1035177158.db2.gz REVLRHUOYMYKSC-UHFFFAOYSA-N -1 3 379.287 3.700 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc(C(F)(F)F)c[nH]c1=O ZINC001161280551 1035200359 /nfs/dbraw/zinc/20/03/59/1035200359.db2.gz PUZIOFBGWHZOCK-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(C(F)(F)F)c[nH]c1=O ZINC001161280551 1035200363 /nfs/dbraw/zinc/20/03/63/1035200363.db2.gz PUZIOFBGWHZOCK-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cccc(Cl)c3C2)c(Cl)c1 ZINC001161309595 1035206916 /nfs/dbraw/zinc/20/69/16/1035206916.db2.gz BSVJGJSHQYIDBR-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM C[C@@H]1CN=C(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)S1 ZINC001161486391 1035239298 /nfs/dbraw/zinc/23/92/98/1035239298.db2.gz HYSAHBDUJAUCIO-GFCCVEGCSA-N -1 3 379.441 3.542 20 0 GHADHM O=c1cc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)[nH]c(=S)[n-]1 ZINC001248236931 1035678933 /nfs/dbraw/zinc/67/89/33/1035678933.db2.gz ASUYNDGTLWKOPW-UHFFFAOYSA-N -1 3 384.486 3.859 20 0 GHADHM [O-]c1cc(-c2nc3ccsc3c(N3CCOCC3)n2)cc(C(F)(F)F)c1 ZINC001242780393 1035958519 /nfs/dbraw/zinc/95/85/19/1035958519.db2.gz QCJHQRUFAMVFIL-UHFFFAOYSA-N -1 3 381.379 3.919 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC001248640924 1036022117 /nfs/dbraw/zinc/02/21/17/1036022117.db2.gz WIXRYHYZHWWRCF-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM Cc1cc(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)cc([O-])c1F ZINC001244506600 1036523989 /nfs/dbraw/zinc/52/39/89/1036523989.db2.gz HJGZROMTQMTLFJ-UHFFFAOYSA-N -1 3 382.414 3.762 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cc(C(=O)[O-])c(Cl)cc1F ZINC001244609496 1036567869 /nfs/dbraw/zinc/56/78/69/1036567869.db2.gz FHPMKENJNNXUQO-UHFFFAOYSA-N -1 3 379.819 3.683 20 0 GHADHM COCOc1ccc(C(F)(F)F)cc1-c1cc(-c2nnn[n-]2)ccc1OC ZINC001244641441 1036580627 /nfs/dbraw/zinc/58/06/27/1036580627.db2.gz RIACKNVXMYDEJT-UHFFFAOYSA-N -1 3 380.326 3.544 20 0 GHADHM COCOc1ccc(C(F)(F)F)cc1-c1cc(-c2nn[n-]n2)ccc1OC ZINC001244641441 1036580639 /nfs/dbraw/zinc/58/06/39/1036580639.db2.gz RIACKNVXMYDEJT-UHFFFAOYSA-N -1 3 380.326 3.544 20 0 GHADHM FC(F)(F)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)nc(=S)[n-]1 ZINC001244809456 1036660151 /nfs/dbraw/zinc/66/01/51/1036660151.db2.gz WQBSIXXUKZSNRI-UHFFFAOYSA-N -1 3 389.830 3.937 20 0 GHADHM [O-]c1ccc(I)cc1NC(=S)NCCc1ccccc1 ZINC001245321570 1036875168 /nfs/dbraw/zinc/87/51/68/1036875168.db2.gz MEPMWNGPSUNZPR-UHFFFAOYSA-N -1 3 398.269 3.526 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3occc3c2)ccc1F ZINC001462188417 1070065714 /nfs/dbraw/zinc/06/57/14/1070065714.db2.gz UKNCZFSCPQFSPR-UHFFFAOYSA-N -1 3 376.409 3.511 20 0 GHADHM Cc1cc(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)ccc1Cl ZINC001247688967 1038328538 /nfs/dbraw/zinc/32/85/38/1038328538.db2.gz DLONPDJGPBKYKQ-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM COC(=O)CCN(Cc1ccccc1)Cc1cc(F)c([O-])c(Br)c1 ZINC001232638739 1038426594 /nfs/dbraw/zinc/42/65/94/1038426594.db2.gz FVCGSHXYLPCNEX-UHFFFAOYSA-N -1 3 396.256 3.859 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)c1Cl ZINC001232787682 1038554366 /nfs/dbraw/zinc/55/43/66/1038554366.db2.gz QPAKIQCDSLHLOH-SFHVURJKSA-N -1 3 394.853 3.573 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1Cl ZINC001232787593 1038555488 /nfs/dbraw/zinc/55/54/88/1038555488.db2.gz PKESZSNJXQRWDE-MGPUTAFESA-N -1 3 392.858 3.782 20 0 GHADHM C[C@]1(CF)CC(F)(F)CN1Cc1ccc([O-])c(I)c1 ZINC001232868919 1038636242 /nfs/dbraw/zinc/63/62/42/1038636242.db2.gz XJNYMHOGBOYGIA-GFCCVEGCSA-N -1 3 385.167 3.566 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3cc([O-])c(F)c(F)c3)CC2)c2cc(C)ccc21 ZINC001232972168 1038743332 /nfs/dbraw/zinc/74/33/32/1038743332.db2.gz VCEDXLSQBVXANV-UHFFFAOYSA-N -1 3 386.442 3.879 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc([O-])c(F)c(F)c3)C2)CC1 ZINC001232970768 1038743678 /nfs/dbraw/zinc/74/36/78/1038743678.db2.gz MIDUANQFNKNDJT-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2cccc([O-])c2F)CC1 ZINC001233055134 1038816421 /nfs/dbraw/zinc/81/64/21/1038816421.db2.gz KSMLTUMARLCSOP-UHFFFAOYSA-N -1 3 376.859 3.713 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N1CCCc3c(=O)[n-]cnc31)ccc2Br ZINC001462319562 1070167140 /nfs/dbraw/zinc/16/71/40/1070167140.db2.gz MGFJSVATLIKARF-UHFFFAOYSA-N -1 3 388.221 3.592 20 0 GHADHM CCN(c1ccccc1)c1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001252263700 1038916402 /nfs/dbraw/zinc/91/64/02/1038916402.db2.gz MATHRNANGVNWJK-UHFFFAOYSA-N -1 3 390.487 3.898 20 0 GHADHM [O-]c1c(Cl)cc(Br)cc1NC[C@@H](O)COCc1ccccc1 ZINC001252298640 1038932172 /nfs/dbraw/zinc/93/21/72/1038932172.db2.gz PWDNIWIDOBANSX-CYBMUJFWSA-N -1 3 386.673 3.798 20 0 GHADHM Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc([S-])cc3)C[C@@H]21 ZINC001233260352 1039027640 /nfs/dbraw/zinc/02/76/40/1039027640.db2.gz AKEZOCHFBAKCKD-SFHLNBCPSA-N -1 3 397.544 3.544 20 0 GHADHM CC(C)Sc1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001252810272 1039183599 /nfs/dbraw/zinc/18/35/99/1039183599.db2.gz CHGGMPAGJUJBNQ-UHFFFAOYSA-N -1 3 396.509 3.628 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c(F)ccc([O-])c3F)CC[C@@H]2C1 ZINC001233393573 1039225886 /nfs/dbraw/zinc/22/58/86/1039225886.db2.gz BNZBXNHXBHTCEY-OKILXGFUSA-N -1 3 382.451 3.749 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(Cl)c1[O-] ZINC001233397971 1039232566 /nfs/dbraw/zinc/23/25/66/1039232566.db2.gz SJGFIQQUIRPDNU-ZDUSSCGKSA-N -1 3 384.904 3.886 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233397095 1039232910 /nfs/dbraw/zinc/23/29/10/1039232910.db2.gz KPHBPKGSLSIZKI-MRXNPFEDSA-N -1 3 382.451 3.940 20 0 GHADHM COc1ccc(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233397680 1039233046 /nfs/dbraw/zinc/23/30/46/1039233046.db2.gz IWVHLBCVKNIXQX-CQSZACIVSA-N -1 3 384.904 3.933 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(Cl)c1[O-] ZINC001233400239 1039238828 /nfs/dbraw/zinc/23/88/28/1039238828.db2.gz ANLKUKKUNYJNJM-UHFFFAOYSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Cl)c1[O-] ZINC001233400310 1039239986 /nfs/dbraw/zinc/23/99/86/1039239986.db2.gz CWIBYLDKUAKLFI-UHFFFAOYSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401051 1039240416 /nfs/dbraw/zinc/24/04/16/1039240416.db2.gz KCSPRFRVHOIERE-TZMCWYRMSA-N -1 3 384.904 3.789 20 0 GHADHM COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233400685 1039240676 /nfs/dbraw/zinc/24/06/76/1039240676.db2.gz TVKHJIALMAIPTC-JDFRZJQESA-N -1 3 381.900 3.996 20 0 GHADHM COc1ccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)c(Cl)c1[O-] ZINC001233400714 1039240850 /nfs/dbraw/zinc/24/08/50/1039240850.db2.gz VDRSRXOZHIDQTE-UHFFFAOYSA-N -1 3 384.263 3.541 20 0 GHADHM COc1cc([O-])c(-c2nnc(-c3cccc(Br)c3)o2)cc1OC ZINC001253229695 1039484812 /nfs/dbraw/zinc/48/48/12/1039484812.db2.gz YXBOJJSZGGZYQO-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM CCOC(=O)[C@H]1C[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)c2ccccc2O1 ZINC001234691426 1040223826 /nfs/dbraw/zinc/22/38/26/1040223826.db2.gz IONAOROSQYMEHM-ZWKOTPCHSA-N -1 3 392.411 3.684 20 0 GHADHM COc1c([O-])cc2c(c1OC1CC3(COC3)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759656 1040289179 /nfs/dbraw/zinc/28/91/79/1040289179.db2.gz REDSERCJJHJAES-KRWDZBQOSA-N -1 3 382.412 3.665 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCn3ccnc31)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759232 1040289811 /nfs/dbraw/zinc/28/98/11/1040289811.db2.gz OHAWWTYZVKCUOX-SJORKVTESA-N -1 3 392.411 3.828 20 0 GHADHM COc1cc([O-])c(C)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1C(C)=O ZINC001234791913 1040322439 /nfs/dbraw/zinc/32/24/39/1040322439.db2.gz VBAGZFLIQCQQLS-UHFFFAOYSA-N -1 3 379.453 3.690 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1C(C)=O ZINC001234791577 1040323050 /nfs/dbraw/zinc/32/30/50/1040323050.db2.gz PJJXGNOSIWPNLW-HIFRSBDPSA-N -1 3 397.443 3.638 20 0 GHADHM CCOc1ccc(-c2nnc(-c3ccc(OC)c(OC)c3[O-])o2)cc1OCC ZINC001255047126 1040750086 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[O-]c1cc(CN2CCN(c3cc(Cl)ccn3)CC2)ccc1Br ZINC001236688606 1041833269 /nfs/dbraw/zinc/83/32/69/1041833269.db2.gz YUOGEUQTWKIZLG-UHFFFAOYSA-N -1 3 382.689 3.525 20 0 GHADHM [O-]c1cc(CN2CCC(Oc3cc(Cl)ncn3)CC2)ccc1Br ZINC001236688563 1041833444 /nfs/dbraw/zinc/83/34/44/1041833444.db2.gz XNWIPUAJJHUVBX-UHFFFAOYSA-N -1 3 398.688 3.642 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(F)c([O-])c2)C[C@@H]1C(F)(F)F ZINC001236709374 1041846179 /nfs/dbraw/zinc/84/61/79/1041846179.db2.gz YFTFDJYZKFEHGI-JSGCOSHPSA-N -1 3 392.393 3.809 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(Cc2ccc(F)c([O-])c2)C1 ZINC001236711860 1041847951 /nfs/dbraw/zinc/84/79/51/1041847951.db2.gz XEUAWMPFBGIJLA-OLZOCXBDSA-N -1 3 392.393 3.809 20 0 GHADHM O=C(NC1CCN(Cc2ccc(F)c([O-])c2)CC1)c1ccccc1C(F)(F)F ZINC001236715314 1041850935 /nfs/dbraw/zinc/85/09/35/1041850935.db2.gz XEOJVEIOENPIHQ-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc3ccccc3cc2Cl)CC1 ZINC001236877388 1041937907 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O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc2ccc(Br)cc2c1 ZINC001289106837 1049326154 /nfs/dbraw/zinc/32/61/54/1049326154.db2.gz LKAJXKUNDUQPEQ-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1CCSc1ccccc1)C(F)(F)F ZINC001307856388 1049639349 /nfs/dbraw/zinc/63/93/49/1049639349.db2.gz KJZAHNUSJGVIGU-OAHLLOKOSA-N -1 3 380.435 3.889 20 0 GHADHM CN(CCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001307857793 1049639368 /nfs/dbraw/zinc/63/93/68/1049639368.db2.gz YKZWJYIDQYRMPK-GOSISDBHSA-N -1 3 391.437 3.623 20 0 GHADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC001307985792 1049740770 /nfs/dbraw/zinc/74/07/70/1049740770.db2.gz QGWXAVQTQUMHOO-NHYWBVRUSA-N -1 3 398.290 3.622 20 0 GHADHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001308023548 1049775066 /nfs/dbraw/zinc/77/50/66/1049775066.db2.gz ZSALIAQWUXBFCF-FQEVSTJZSA-N -1 3 392.421 3.909 20 0 GHADHM Cc1ccc(N(Cc2cnn(C)c2)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC001308069736 1049816582 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CCOc1cccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC001309337438 1050606234 /nfs/dbraw/zinc/60/62/34/1050606234.db2.gz ISWKZPWKPHZTBY-HNNXBMFYSA-N -1 3 395.349 3.945 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C)c(F)c1 ZINC001309349478 1050623469 /nfs/dbraw/zinc/62/34/69/1050623469.db2.gz YIFVZRXGUFIEIC-YJYMSZOUSA-N -1 3 391.464 3.604 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1ccc(Br)cc1F ZINC001309447323 1050726142 /nfs/dbraw/zinc/72/61/42/1050726142.db2.gz ANIRSNOFSDJGGO-GXTWGEPZSA-N -1 3 376.291 3.835 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001309472536 1050746571 /nfs/dbraw/zinc/74/65/71/1050746571.db2.gz FOITWHOMGZKFGU-RDJZCZTQSA-N -1 3 391.464 3.617 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(F)c1F ZINC001309521288 1050780184 /nfs/dbraw/zinc/78/01/84/1050780184.db2.gz ZKVMDVZVLMBNFR-LBPRGKRZSA-N -1 3 395.406 3.638 20 0 GHADHM CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc([O-])cc(Br)c1)CCC2 ZINC001329391911 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20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC=CCC1)c1cnc(Cl)c(Br)c1 ZINC001309759751 1050959553 /nfs/dbraw/zinc/95/95/53/1050959553.db2.gz QROVSAQIHDIPNU-JTQLQIEISA-N -1 3 379.707 3.522 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1nc(-c2ccccn2)cs1 ZINC001309773608 1050966486 /nfs/dbraw/zinc/96/64/86/1050966486.db2.gz HSVGDYJULYSQAJ-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC12CCOCC2)c1cc(Cl)ccc1C(F)(F)F ZINC001309776379 1050968169 /nfs/dbraw/zinc/96/81/69/1050968169.db2.gz OIPJXIANUNSEFC-LLVKDONJSA-N -1 3 397.846 3.844 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2cccnc2)C2CCCC2)c1 ZINC001309792381 1050976145 /nfs/dbraw/zinc/97/61/45/1050976145.db2.gz UJDTXHQENNGJRL-INIZCTEOSA-N -1 3 379.913 3.518 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)s2)c1 ZINC001309827848 1050993264 /nfs/dbraw/zinc/99/32/64/1050993264.db2.gz BTKPWHGQVSYXCB-UHFFFAOYSA-N -1 3 399.509 3.840 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC[C@@H](C2CC2)O1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001309909898 1051039227 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384.432 3.621 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C)c(C(=O)c2ccccc2)c1 ZINC001311126472 1051881330 /nfs/dbraw/zinc/88/13/30/1051881330.db2.gz YCMKZQBMQRTJIJ-UHFFFAOYSA-N -1 3 384.432 3.621 20 0 GHADHM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(OC(F)F)c(Br)c1 ZINC001334016279 1051885592 /nfs/dbraw/zinc/88/55/92/1051885592.db2.gz MKUFFCHHYIPHMG-QMMMGPOBSA-N -1 3 392.118 3.546 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCC2CCCC2)c2ccccc21)C(F)(F)F ZINC001311584931 1052265011 /nfs/dbraw/zinc/26/50/11/1052265011.db2.gz UYEAHXSWCAADKU-CQSZACIVSA-N -1 3 383.414 3.559 20 0 GHADHM COc1ccc(-c2nc(NC(=O)CCc3c(C)nc[n-]c3=O)sc2C)cc1 ZINC001337301354 1052443488 /nfs/dbraw/zinc/44/34/88/1052443488.db2.gz MACTXLMJNLFSBC-UHFFFAOYSA-N -1 3 384.461 3.502 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cnc(Oc2ccccc2)cn1 ZINC001337494150 1052486218 /nfs/dbraw/zinc/48/62/18/1052486218.db2.gz RZVGBDQMJWCQKR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H]1CC(NC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)C[C@H](C)C1 ZINC001312048934 1052546998 /nfs/dbraw/zinc/54/69/98/1052546998.db2.gz RUUUMBOJDPDNEH-IOASZLSFSA-N -1 3 397.441 3.631 20 0 GHADHM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC001344474582 1054506203 /nfs/dbraw/zinc/50/62/03/1054506203.db2.gz XKYKMHRHOUOCKE-SBUREZEXSA-N -1 3 398.478 3.555 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2CC(C)C)cc(=O)[n-]1 ZINC001344497375 1054522470 /nfs/dbraw/zinc/52/24/70/1054522470.db2.gz CVUVVBJMQAXVSO-SFHVURJKSA-N -1 3 392.507 3.617 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cnc(Cc2ccccc2)s1 ZINC001319221369 1055101603 /nfs/dbraw/zinc/10/16/03/1055101603.db2.gz NMNAJQWUWMMZLV-UHFFFAOYSA-N -1 3 379.470 3.900 20 0 GHADHM Cc1cc(NCc2c(F)cccc2[N-]S(C)(=O)=O)c2cccc(F)c2n1 ZINC001319385041 1055218062 /nfs/dbraw/zinc/21/80/62/1055218062.db2.gz YUUAEXLFLGZKKO-UHFFFAOYSA-N -1 3 377.416 3.805 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001345728094 1055226828 /nfs/dbraw/zinc/22/68/28/1055226828.db2.gz OLZNZVOGSDJQJR-QHCPKHFHSA-N -1 3 380.488 3.659 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@@H]4CC[C@H]3c3ccccc34)n2CC2CC2)cc(=O)[n-]1 ZINC001345804670 1055267584 /nfs/dbraw/zinc/26/75/84/1055267584.db2.gz HYLUDWOHRJUNQZ-KXBFYZLASA-N -1 3 388.475 3.598 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CCC2(CCOCC2)CC1 ZINC001319793262 1055471332 /nfs/dbraw/zinc/47/13/32/1055471332.db2.gz MJITUZVBDCIUQW-UHFFFAOYSA-N -1 3 397.313 3.693 20 0 GHADHM COc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1Br ZINC001320676915 1055925288 /nfs/dbraw/zinc/92/52/88/1055925288.db2.gz XWDRXLRNFHCOPR-UHFFFAOYSA-N -1 3 396.262 3.633 20 0 GHADHM COc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)cnn1-c1ccccc1 ZINC001321284136 1056208424 /nfs/dbraw/zinc/20/84/24/1056208424.db2.gz FGKAXUIEDQSVEZ-UHFFFAOYSA-N -1 3 383.458 3.713 20 0 GHADHM O=C([O-])c1ccc(N2CCC(NCc3ncccc3C(F)(F)F)CC2)cc1 ZINC001321907827 1056440778 /nfs/dbraw/zinc/44/07/78/1056440778.db2.gz VUDTUPPGDQWMCI-UHFFFAOYSA-N -1 3 379.382 3.557 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000848072874 1056548491 /nfs/dbraw/zinc/54/84/91/1056548491.db2.gz SEXOXOATGCMTBY-YCRPNKLZSA-N -1 3 388.464 3.571 20 0 GHADHM CCCC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC001323451597 1056971846 /nfs/dbraw/zinc/97/18/46/1056971846.db2.gz OMYFWUSQUVJGJV-UHFFFAOYSA-N -1 3 393.484 3.607 20 0 GHADHM O=C([N-]CCSC(F)(F)F)C(F)(F)c1ccc(Br)cc1 ZINC001355117729 1057055412 /nfs/dbraw/zinc/05/54/12/1057055412.db2.gz ZQPQSIGGLWEHDP-UHFFFAOYSA-N -1 3 378.160 3.910 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccccn1 ZINC001324732179 1057214601 /nfs/dbraw/zinc/21/46/01/1057214601.db2.gz XWNRDLDDMZMQEU-NSHDSACASA-N -1 3 393.818 3.969 20 0 GHADHM CN(C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(C(F)(F)F)c1 ZINC001356459850 1057519274 /nfs/dbraw/zinc/51/92/74/1057519274.db2.gz MWTXJHSLNDJDNV-UHFFFAOYSA-N -1 3 375.350 3.865 20 0 GHADHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1=O ZINC001337630658 1058194211 /nfs/dbraw/zinc/19/42/11/1058194211.db2.gz MJPHPCHIXPKPCZ-ZIAGYGMSSA-N -1 3 393.447 3.570 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001439510617 1058200541 /nfs/dbraw/zinc/20/05/41/1058200541.db2.gz LCCILDHQKGVJBC-UHFFFAOYSA-N -1 3 376.420 3.800 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)[nH]1 ZINC001440579506 1058541178 /nfs/dbraw/zinc/54/11/78/1058541178.db2.gz WRRAVEZMTLZEIY-UHFFFAOYSA-N -1 3 398.488 3.696 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)c1[O-] ZINC001338997228 1058918928 /nfs/dbraw/zinc/91/89/28/1058918928.db2.gz GTIIIGXCKRLTQL-UHFFFAOYSA-N -1 3 386.358 3.705 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cccc(Cl)c2Cl)c([O-])c1 ZINC001445718527 1059599979 /nfs/dbraw/zinc/59/99/79/1059599979.db2.gz IBDBRNPXJGDQNA-UHFFFAOYSA-N -1 3 395.286 3.786 20 0 GHADHM CC(C)c1cccc(NC(=S)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001340202986 1059761408 /nfs/dbraw/zinc/76/14/08/1059761408.db2.gz AULXYDFHIWEGKI-UHFFFAOYSA-N -1 3 395.525 3.807 20 0 GHADHM O=C(Nc1cccc2c1OCCC2=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001446653096 1059828582 /nfs/dbraw/zinc/82/85/82/1059828582.db2.gz YVSKSTGHOTWJCR-UHFFFAOYSA-N -1 3 390.395 3.589 20 0 GHADHM Cc1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)c(O[C@@H](C)CC(C)C)c1 ZINC001340292435 1059832035 /nfs/dbraw/zinc/83/20/35/1059832035.db2.gz COFICPJBMATKDL-INIZCTEOSA-N -1 3 385.508 3.861 20 0 GHADHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001446827240 1059875680 /nfs/dbraw/zinc/87/56/80/1059875680.db2.gz RCQBINJBBVMXSK-WLRWDXFRSA-N -1 3 388.826 3.827 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCn2c3ccccc3c3ccccc32)[n-]n1 ZINC001447176727 1059934159 /nfs/dbraw/zinc/93/41/59/1059934159.db2.gz WONMVJBMOWRCGJ-UHFFFAOYSA-N -1 3 376.416 3.723 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCn2c3ccccc3c3ccccc32)n[n-]1 ZINC001447176727 1059934162 /nfs/dbraw/zinc/93/41/62/1059934162.db2.gz WONMVJBMOWRCGJ-UHFFFAOYSA-N -1 3 376.416 3.723 20 0 GHADHM C[Si](C)(C)c1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001447275404 1059942954 /nfs/dbraw/zinc/94/29/54/1059942954.db2.gz GBCBWMBXRWUKIO-UHFFFAOYSA-N -1 3 378.342 3.881 20 0 GHADHM O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC001447277827 1059943752 /nfs/dbraw/zinc/94/37/52/1059943752.db2.gz NNILMQFEVLXIBF-JTQLQIEISA-N -1 3 375.222 3.609 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)ccc1F ZINC001447790142 1060030851 /nfs/dbraw/zinc/03/08/51/1060030851.db2.gz JILPTILWWDNYKV-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001447965437 1060075213 /nfs/dbraw/zinc/07/52/13/1060075213.db2.gz UGCXLUWPVBWCLS-CABCVRRESA-N -1 3 382.410 3.948 20 0 GHADHM CCCN(CCc1nc2ccccc2n1C)Cc1nc(=O)c2sccc2[n-]1 ZINC001340898110 1060231995 /nfs/dbraw/zinc/23/19/95/1060231995.db2.gz JNRDJEMLPMJIJB-UHFFFAOYSA-N -1 3 381.505 3.738 20 0 GHADHM O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001448622764 1060232529 /nfs/dbraw/zinc/23/25/29/1060232529.db2.gz UAPXFTGJTPQZTR-UHFFFAOYSA-N -1 3 398.462 3.949 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449183214 1060349157 /nfs/dbraw/zinc/34/91/57/1060349157.db2.gz ASLYPSVSWINVAD-SCTDSRPQSA-N -1 3 397.519 3.772 20 0 GHADHM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001449904682 1060481884 /nfs/dbraw/zinc/48/18/84/1060481884.db2.gz MVBOIUVZHFHPPV-SFHVURJKSA-N -1 3 382.847 3.568 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450078003 1060525943 /nfs/dbraw/zinc/52/59/43/1060525943.db2.gz WGTMJDXOJWFNFQ-AWEZNQCLSA-N -1 3 390.277 3.868 20 0 GHADHM O=C(Cc1cc(Cl)cc2ccccc21)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450921747 1060717196 /nfs/dbraw/zinc/71/71/96/1060717196.db2.gz SYMJTXWNKNVETB-UHFFFAOYSA-N -1 3 377.835 3.778 20 0 GHADHM O=C(Cc1cc(Cl)cc2ccccc21)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450921747 1060717211 /nfs/dbraw/zinc/71/72/11/1060717211.db2.gz SYMJTXWNKNVETB-UHFFFAOYSA-N -1 3 377.835 3.778 20 0 GHADHM CC[C@](CNC(=O)c1cc([O-])c2ccccc2c1)(C(=O)OC)c1ccccc1 ZINC001451305532 1060760257 /nfs/dbraw/zinc/76/02/57/1060760257.db2.gz CLUIFIYGBBKDPN-HSZRJFAPSA-N -1 3 377.440 3.796 20 0 GHADHM CCc1ccc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c([O-])c1 ZINC001452982600 1061057078 /nfs/dbraw/zinc/05/70/78/1061057078.db2.gz DPZNBVUNJOSZOF-KRWDZBQOSA-N -1 3 390.277 3.931 20 0 GHADHM COc1ccccc1-c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC001454405908 1061763084 /nfs/dbraw/zinc/76/30/84/1061763084.db2.gz CIBYZLJAIPAIOZ-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1ccccc1-c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC001454405908 1061763097 /nfs/dbraw/zinc/76/30/97/1061763097.db2.gz CIBYZLJAIPAIOZ-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454410512 1061770003 /nfs/dbraw/zinc/77/00/03/1061770003.db2.gz IBZGXCNTIDVMTG-MNOVXSKESA-N -1 3 378.274 3.784 20 0 GHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454410512 1061770027 /nfs/dbraw/zinc/77/00/27/1061770027.db2.gz IBZGXCNTIDVMTG-MNOVXSKESA-N -1 3 378.274 3.784 20 0 GHADHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001561694957 1061874061 /nfs/dbraw/zinc/87/40/61/1061874061.db2.gz AAONVCVCSWDQJA-JTQLQIEISA-N -1 3 398.750 3.832 20 0 GHADHM Cn1ccc(Nc2ccccc2NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)n1 ZINC001455197446 1062044088 /nfs/dbraw/zinc/04/40/88/1062044088.db2.gz PSIHWYUTCMANTG-UHFFFAOYSA-N -1 3 393.834 3.911 20 0 GHADHM Cc1csc(CNc2cccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)c2)n1 ZINC001347047566 1062069713 /nfs/dbraw/zinc/06/97/13/1062069713.db2.gz LEWWTHWQIBSGKA-UHFFFAOYSA-N -1 3 397.504 3.533 20 0 GHADHM Cc1cc(C)c(Br)c(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001455389759 1062122915 /nfs/dbraw/zinc/12/29/15/1062122915.db2.gz TVMHMIZFCAIVDF-UHFFFAOYSA-N -1 3 388.265 3.595 20 0 GHADHM COc1ccc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)c(F)c2)cc1 ZINC001455672005 1062254443 /nfs/dbraw/zinc/25/44/43/1062254443.db2.gz HIDGLHXFOLZIHI-UHFFFAOYSA-N -1 3 393.418 3.804 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001455752798 1062280929 /nfs/dbraw/zinc/28/09/29/1062280929.db2.gz KCZRWEXMBHTLED-OAHLLOKOSA-N -1 3 396.516 3.639 20 0 GHADHM CC(C)CC(CC(C)C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001456097496 1062481987 /nfs/dbraw/zinc/48/19/87/1062481987.db2.gz LSZCXAWKDCXVBB-UHFFFAOYSA-N -1 3 386.533 3.703 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)c([O-])c(OC)c1 ZINC001456748117 1062838633 /nfs/dbraw/zinc/83/86/33/1062838633.db2.gz QUGDANNTVMAHTE-UHFFFAOYSA-N -1 3 384.215 3.675 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456951313 1062928513 /nfs/dbraw/zinc/92/85/13/1062928513.db2.gz ZEUSJFCALQFHEZ-IEZWGBDMSA-N -1 3 391.471 3.945 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001348969119 1063455948 /nfs/dbraw/zinc/45/59/48/1063455948.db2.gz FGDQMKGFBLIUIW-UHFFFAOYSA-N -1 3 391.393 3.817 20 0 GHADHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3ccc(Cl)s3)cs2)n1 ZINC001349230352 1063602794 /nfs/dbraw/zinc/60/27/94/1063602794.db2.gz HYVDNMILRATMCB-UHFFFAOYSA-N -1 3 382.854 3.585 20 0 GHADHM CC[C@H](C)C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC ZINC001437095108 1063760278 /nfs/dbraw/zinc/76/02/78/1063760278.db2.gz KNABVTRDNDAOKQ-GWCFXTLKSA-N -1 3 377.815 3.534 20 0 GHADHM O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1nnc(-c2ccccc2[O-])o1 ZINC001458839892 1063945823 /nfs/dbraw/zinc/94/58/23/1063945823.db2.gz WRMQJKHYRPTOAH-UHFFFAOYSA-N -1 3 390.182 3.545 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC001463357027 1064279685 /nfs/dbraw/zinc/27/96/85/1064279685.db2.gz IBOLAWNEKNCJKH-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001460018022 1064347603 /nfs/dbraw/zinc/34/76/03/1064347603.db2.gz VEMJZUZLDGICCD-UHFFFAOYSA-N -1 3 399.834 3.610 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001460018022 1064347610 /nfs/dbraw/zinc/34/76/10/1064347610.db2.gz VEMJZUZLDGICCD-UHFFFAOYSA-N -1 3 399.834 3.610 20 0 GHADHM O=S(=O)([N-][C@@H](CN1CCCCC1)c1ccccc1)c1ccc(Cl)cc1F ZINC001463520533 1064430338 /nfs/dbraw/zinc/43/03/38/1064430338.db2.gz ZJOGRTYYUAUMJT-SFHVURJKSA-N -1 3 396.915 3.985 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccnc(-c2ccccn2)n1 ZINC001351449503 1064453060 /nfs/dbraw/zinc/45/30/60/1064453060.db2.gz PTRZFTOVRJFDHW-UHFFFAOYSA-N -1 3 394.847 3.963 20 0 GHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)[C@@H]1C ZINC001463623982 1064508361 /nfs/dbraw/zinc/50/83/61/1064508361.db2.gz MVXUHIUPHSNMHA-IJLUTSLNSA-N -1 3 378.307 3.939 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(Br)n1 ZINC001463638070 1064518375 /nfs/dbraw/zinc/51/83/75/1064518375.db2.gz MOUGXEIMOYXVQU-OCCSQVGLSA-N -1 3 399.285 3.598 20 0 GHADHM O=C([N-]c1cccc(F)c1F)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001351638307 1064543951 /nfs/dbraw/zinc/54/39/51/1064543951.db2.gz HRSYGBCREKTZSG-UHFFFAOYSA-N -1 3 387.354 3.679 20 0 GHADHM O=S(=O)(CC[C@H]1CCc2ccccc21)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC001463964182 1064742827 /nfs/dbraw/zinc/74/28/27/1064742827.db2.gz JQMHUSOWODKCDG-CTNGQTDRSA-N -1 3 396.512 3.998 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C1CCCCCC1 ZINC001463972173 1064745535 /nfs/dbraw/zinc/74/55/35/1064745535.db2.gz CRLJZAPKYIGZHY-ZBFHGGJFSA-N -1 3 395.512 3.633 20 0 GHADHM O=S(=O)([N-]Cc1cccc2[nH]ccc21)c1cc(Br)ccc1F ZINC001464341697 1064962647 /nfs/dbraw/zinc/96/26/47/1064962647.db2.gz MWSJUUNTAGJBDE-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC001464458073 1065021679 /nfs/dbraw/zinc/02/16/79/1065021679.db2.gz DXPXRYLLBRPWHR-AWAWDMARSA-N -1 3 383.819 3.595 20 0 GHADHM COc1ccc(C(=O)NC2(c3cccc(Br)c3)CCC2)c([O-])c1 ZINC001464508392 1065052578 /nfs/dbraw/zinc/05/25/78/1065052578.db2.gz VXWVPSMTINUCEC-UHFFFAOYSA-N -1 3 376.250 3.973 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCOC2(CCC2)C1 ZINC001464578082 1065092121 /nfs/dbraw/zinc/09/21/21/1065092121.db2.gz IUMSRPZRVRQLMN-SFHVURJKSA-N -1 3 392.546 3.828 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2ccncc21)c1ccccc1 ZINC001464666753 1065146636 /nfs/dbraw/zinc/14/66/36/1065146636.db2.gz VCQCCUAJUWZZOL-IBGZPJMESA-N -1 3 398.484 3.596 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCC(C)(C)CO2)sc1Br ZINC001464682275 1065154760 /nfs/dbraw/zinc/15/47/60/1065154760.db2.gz GNSJTXZIEXGEPO-NSHDSACASA-N -1 3 396.372 3.693 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC2(CCC2)O1)c1ccc(F)cc1C(F)(F)F ZINC001464692682 1065160035 /nfs/dbraw/zinc/16/00/35/1065160035.db2.gz GAMMABWCYSQSPA-LBPRGKRZSA-N -1 3 381.391 3.615 20 0 GHADHM O=S(=O)([N-]C1C[C@H]2CC[C@@H](C1)S2)c1cc(Cl)ccc1Br ZINC001464698915 1065162494 /nfs/dbraw/zinc/16/24/94/1065162494.db2.gz RLKFWCYWUQLIPL-FGWVZKOKSA-N -1 3 396.759 3.807 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ccccc2OC)c1 ZINC001464848619 1065242660 /nfs/dbraw/zinc/24/26/60/1065242660.db2.gz ABMZAPINLDJRBS-SFHVURJKSA-N -1 3 380.444 3.893 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC000847424975 1065271743 /nfs/dbraw/zinc/27/17/43/1065271743.db2.gz VBSMZTIQYXGVFM-UHFFFAOYSA-N -1 3 396.447 3.610 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC001465380565 1065576572 /nfs/dbraw/zinc/57/65/72/1065576572.db2.gz XDMDUMYSSBUUQJ-KRWDZBQOSA-N -1 3 382.489 3.780 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001465663667 1065779491 /nfs/dbraw/zinc/77/94/91/1065779491.db2.gz HCOAYRKUYHYRDA-CJNGLKHVSA-N -1 3 392.908 3.730 20 0 GHADHM COc1ccc(C2(C(=O)OCc3nnc(-c4ccccc4[O-])o3)CCC2)cc1 ZINC001353216787 1065779585 /nfs/dbraw/zinc/77/95/85/1065779585.db2.gz VEGOUHGCBJAEPC-UHFFFAOYSA-N -1 3 380.400 3.616 20 0 GHADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1)c1ccccc1 ZINC001465754359 1065831246 /nfs/dbraw/zinc/83/12/46/1065831246.db2.gz YILFWGKXDUKPLC-HNNXBMFYSA-N -1 3 394.496 3.889 20 0 GHADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001465800363 1065865715 /nfs/dbraw/zinc/86/57/15/1065865715.db2.gz URFJFZDRKBGYDB-SNVBAGLBSA-N -1 3 384.220 3.723 20 0 GHADHM O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001465824200 1065879658 /nfs/dbraw/zinc/87/96/58/1065879658.db2.gz DNGLHMUXGKKZNR-GOSISDBHSA-N -1 3 391.446 3.526 20 0 GHADHM CC(=O)Nc1ccc(-c2csc([N-]C(=O)c3cc(Cl)no3)n2)c(F)c1 ZINC001466055087 1065968520 /nfs/dbraw/zinc/96/85/20/1065968520.db2.gz FOGCBMNGOVVJBK-UHFFFAOYSA-N -1 3 380.788 3.801 20 0 GHADHM COc1nnc(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)[n-]1 ZINC001466101218 1065983215 /nfs/dbraw/zinc/98/32/15/1065983215.db2.gz GFKANZLKRRMSJO-UHFFFAOYSA-N -1 3 379.207 3.511 20 0 GHADHM COc1nc(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC001466101218 1065983226 /nfs/dbraw/zinc/98/32/26/1065983226.db2.gz GFKANZLKRRMSJO-UHFFFAOYSA-N -1 3 379.207 3.511 20 0 GHADHM COc1n[n-]c(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)n1 ZINC001466101218 1065983227 /nfs/dbraw/zinc/98/32/27/1065983227.db2.gz GFKANZLKRRMSJO-UHFFFAOYSA-N -1 3 379.207 3.511 20 0 GHADHM C[C@](O)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)c(Br)c1 ZINC001466261351 1066061684 /nfs/dbraw/zinc/06/16/84/1066061684.db2.gz IXWIFHBDPNCUEM-OAHLLOKOSA-N -1 3 388.620 3.793 20 0 GHADHM Cc1ccc(C)c(N2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)c1 ZINC001466266587 1066064437 /nfs/dbraw/zinc/06/44/37/1066064437.db2.gz AMISSVOYJSTDCJ-UHFFFAOYSA-N -1 3 395.890 3.761 20 0 GHADHM CCCCc1ccc(NC(=S)Nc2ncc(Br)[n-]c2=O)cc1 ZINC001200392352 1066080314 /nfs/dbraw/zinc/08/03/14/1066080314.db2.gz JTMNWTUXZVLDGP-UHFFFAOYSA-N -1 3 381.299 3.684 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c([O-])c1 ZINC001466433371 1066151831 /nfs/dbraw/zinc/15/18/31/1066151831.db2.gz FRVPYRGSUHUNOL-DIFFPNOSSA-N -1 3 394.265 3.669 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001466445320 1066158446 /nfs/dbraw/zinc/15/84/46/1066158446.db2.gz OBVSCYFZLZCXBY-CQSZACIVSA-N -1 3 379.243 3.543 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)Nc1ncccc1[O-] ZINC001466805692 1066325970 /nfs/dbraw/zinc/32/59/70/1066325970.db2.gz RKZKUNWVYOSXMO-HNNXBMFYSA-N -1 3 397.431 3.608 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cc(F)cc(F)c1 ZINC001466817870 1066335204 /nfs/dbraw/zinc/33/52/04/1066335204.db2.gz VQBKKRZGKRRJNV-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CCO[C@H]1C[C@](CO)([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)C1(C)C ZINC001466932560 1066398977 /nfs/dbraw/zinc/39/89/77/1066398977.db2.gz XYPFSXYEJPMYRQ-BLLLJJGKSA-N -1 3 396.261 3.768 20 0 GHADHM O=C(Cc1ccc2c(c1)CCCO2)[N-]OCc1ccc(F)cc1Br ZINC001466939260 1066402828 /nfs/dbraw/zinc/40/28/28/1066402828.db2.gz FWIWMZIQXXKCKX-UHFFFAOYSA-N -1 3 394.240 3.704 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3-c3ccco3)c2)n1 ZINC001357279851 1067030574 /nfs/dbraw/zinc/03/05/74/1067030574.db2.gz APMNNWNCHPNPJJ-UHFFFAOYSA-N -1 3 389.415 3.657 20 0 GHADHM O=C(Nc1nc(Br)ccc1[O-])c1cccc2nc(C(F)F)[nH]c21 ZINC001467242789 1067174525 /nfs/dbraw/zinc/17/45/25/1067174525.db2.gz RVGNZHCZDCZQLV-UHFFFAOYSA-N -1 3 383.152 3.616 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C)c2ccc(Br)cn2)c1 ZINC001467661379 1067404910 /nfs/dbraw/zinc/40/49/10/1067404910.db2.gz MQHYQZZVQBINJB-JTQLQIEISA-N -1 3 385.208 3.822 20 0 GHADHM O=C(Nc1nc(-c2cccnc2)cs1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001467911218 1067524187 /nfs/dbraw/zinc/52/41/87/1067524187.db2.gz KYKCFIHSTIRTJO-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3nc(C)cc(C)n3)c2)cc1 ZINC000604379921 1067552112 /nfs/dbraw/zinc/55/21/12/1067552112.db2.gz CBGQWJFTKRBMTC-UHFFFAOYSA-N -1 3 398.488 3.515 20 0 GHADHM COCC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC001468061167 1067583644 /nfs/dbraw/zinc/58/36/44/1067583644.db2.gz MJMOYJMEEOQKPR-AWEZNQCLSA-N -1 3 397.349 3.647 20 0 GHADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ncc(Br)cc2[O-])CC1 ZINC001468068613 1067586016 /nfs/dbraw/zinc/58/60/16/1067586016.db2.gz WYUKFWZQXFQFOR-UHFFFAOYSA-N -1 3 398.345 3.522 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1ccccc1[O-])Cc1ccccc1 ZINC001468458399 1067738806 /nfs/dbraw/zinc/73/88/06/1067738806.db2.gz NRPRWQLELXYTNV-QGZVFWFLSA-N -1 3 384.476 3.600 20 0 GHADHM O=C([N-]C[C@H](O)Cc1cccc(F)c1)C(F)(F)c1cccc(Cl)c1Cl ZINC001468474132 1067745138 /nfs/dbraw/zinc/74/51/38/1067745138.db2.gz YUJVTXMVPZHBOJ-GFCCVEGCSA-N -1 3 392.204 3.944 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000849453933 1067850005 /nfs/dbraw/zinc/85/00/05/1067850005.db2.gz DKBYPMDSUZHLQF-KBPBESRZSA-N -1 3 391.798 3.816 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)[n-]n1 ZINC000543298048 1068047956 /nfs/dbraw/zinc/04/79/56/1068047956.db2.gz XERXEPVBIHKBRM-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000543298048 1068047972 /nfs/dbraw/zinc/04/79/72/1068047972.db2.gz XERXEPVBIHKBRM-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)cc1[O-] ZINC001469242815 1068053280 /nfs/dbraw/zinc/05/32/80/1068053280.db2.gz JUQPLCBRQUBGII-HXUWFJFHSA-N -1 3 395.846 3.759 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)c(F)c2)[n-]n1 ZINC001469326237 1068104370 /nfs/dbraw/zinc/10/43/70/1068104370.db2.gz HIEPYBNPBRIMAE-UHFFFAOYSA-N -1 3 383.807 3.565 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)c(F)c2)n[n-]1 ZINC001469326237 1068104374 /nfs/dbraw/zinc/10/43/74/1068104374.db2.gz HIEPYBNPBRIMAE-UHFFFAOYSA-N -1 3 383.807 3.565 20 0 GHADHM O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001469408007 1068148503 /nfs/dbraw/zinc/14/85/03/1068148503.db2.gz RGDKPBXUPXKBNS-UHFFFAOYSA-N -1 3 395.386 3.769 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001469723880 1068338497 /nfs/dbraw/zinc/33/84/97/1068338497.db2.gz XRJZRPLSHMFVCJ-QGZVFWFLSA-N -1 3 385.876 3.573 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC001469751486 1068357691 /nfs/dbraw/zinc/35/76/91/1068357691.db2.gz SAQFGKYDANEOBX-CQSZACIVSA-N -1 3 389.835 3.933 20 0 GHADHM COc1ccc(C(=O)NC2(c3ccccc3Br)CCC2)c([O-])c1 ZINC001469761781 1068368220 /nfs/dbraw/zinc/36/82/20/1068368220.db2.gz RMQFBKXAWOWNBA-UHFFFAOYSA-N -1 3 376.250 3.973 20 0 GHADHM O=C(NC[C@H]1CCCN1CC(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001470150940 1068597241 /nfs/dbraw/zinc/59/72/41/1068597241.db2.gz GGLKWCMMYOQGLH-GOSISDBHSA-N -1 3 388.458 3.637 20 0 GHADHM Cc1nc([N-]C(=O)c2cnc(Cc3ccccc3)s2)nn1-c1ccccc1 ZINC001460277144 1068902849 /nfs/dbraw/zinc/90/28/49/1068902849.db2.gz YZUJLAPPIXXRGJ-UHFFFAOYSA-N -1 3 375.457 3.875 20 0 GHADHM O=C(Cc1cc(Br)ccc1Cl)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001460816910 1069198990 /nfs/dbraw/zinc/19/89/90/1069198990.db2.gz NGAOOJYYEJGCOY-UHFFFAOYSA-N -1 3 396.672 3.658 20 0 GHADHM CCC(CC)(C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC001471428324 1073068325 /nfs/dbraw/zinc/06/83/25/1073068325.db2.gz XJOWPTAVJLLLCD-UHFFFAOYSA-N -1 3 390.833 3.535 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C1CC1 ZINC001471759567 1073211644 /nfs/dbraw/zinc/21/16/44/1073211644.db2.gz FQSHYCRFGNGRRK-DLBZAZTESA-N -1 3 391.483 3.680 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC001471996612 1073297687 /nfs/dbraw/zinc/29/76/87/1073297687.db2.gz LSILAGHQCDRVIP-YLJYHZDGSA-N -1 3 380.488 3.615 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)[n-]n1 ZINC001472091125 1073330820 /nfs/dbraw/zinc/33/08/20/1073330820.db2.gz OOFPYVLZBGRUEJ-UHFFFAOYSA-N -1 3 384.823 3.943 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)n[n-]1 ZINC001472091125 1073330823 /nfs/dbraw/zinc/33/08/23/1073330823.db2.gz OOFPYVLZBGRUEJ-UHFFFAOYSA-N -1 3 384.823 3.943 20 0 GHADHM C[C@@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110698 1073337048 /nfs/dbraw/zinc/33/70/48/1073337048.db2.gz JBLHWCIYCSEUFN-YRFDSLTASA-N -1 3 384.305 3.794 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(N(CC)CC)cc3)nc21 ZINC001472301104 1073406809 /nfs/dbraw/zinc/40/68/09/1073406809.db2.gz ZCCUQEVMQFLLQZ-UHFFFAOYSA-N -1 3 380.448 3.838 20 0 GHADHM CC(=O)Nc1ccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1F ZINC001472357005 1073442753 /nfs/dbraw/zinc/44/27/53/1073442753.db2.gz BEDMPUIDDBKOFM-UHFFFAOYSA-N -1 3 399.451 3.755 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)[C@H](C)Oc3cccc(C(C)C)c3)c2c1=O ZINC001472585465 1073562355 /nfs/dbraw/zinc/56/23/55/1073562355.db2.gz QBKUZVPJLYOTCB-AWEZNQCLSA-N -1 3 382.464 3.582 20 0 GHADHM C[C@@H](c1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1)C(F)(F)F ZINC001473738015 1074116394 /nfs/dbraw/zinc/11/63/94/1074116394.db2.gz DSPIYMWUZCKTCL-XHDPSFHLSA-N -1 3 382.348 3.995 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001473766946 1074131637 /nfs/dbraw/zinc/13/16/37/1074131637.db2.gz YNBGRCHPSWJONN-UHFFFAOYSA-N -1 3 382.464 3.922 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)c2ccccc2N(C)C1=O ZINC001474557568 1074462103 /nfs/dbraw/zinc/46/21/03/1074462103.db2.gz KOZQTOSYVIGUBT-GFCCVEGCSA-N -1 3 375.266 3.774 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1cccc(Br)c1F ZINC001474820018 1074578083 /nfs/dbraw/zinc/57/80/83/1074578083.db2.gz SHUUROODMXGHID-CYBMUJFWSA-N -1 3 398.297 3.987 20 0 GHADHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC001474842834 1074588773 /nfs/dbraw/zinc/58/87/73/1074588773.db2.gz NCUXIMYFWSOYOZ-UHFFFAOYSA-N -1 3 387.423 3.804 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c2ncccc12 ZINC001474843934 1074589805 /nfs/dbraw/zinc/58/98/05/1074589805.db2.gz SPCLGHNYSCPLPR-KRWDZBQOSA-N -1 3 396.390 3.825 20 0 GHADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001475009757 1074681571 /nfs/dbraw/zinc/68/15/71/1074681571.db2.gz IARIXKHCGCOBMP-CQSZACIVSA-N -1 3 393.896 3.956 20 0 GHADHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475014867 1074684230 /nfs/dbraw/zinc/68/42/30/1074684230.db2.gz WHPILTAMEAENQW-GXTWGEPZSA-N -1 3 385.835 3.841 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)s1 ZINC001475119033 1074744985 /nfs/dbraw/zinc/74/49/85/1074744985.db2.gz MKOZWKRZEMFRGC-CYBMUJFWSA-N -1 3 394.440 3.846 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c(Br)c1 ZINC001475175107 1074769958 /nfs/dbraw/zinc/76/99/58/1074769958.db2.gz DWCOWOXMDOMUMZ-JTQLQIEISA-N -1 3 396.734 3.647 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)(C)C)CC2)c(F)c1 ZINC001475203406 1074783367 /nfs/dbraw/zinc/78/33/67/1074783367.db2.gz RNLFHSZNLJRGHT-GJZGRUSLSA-N -1 3 385.501 3.886 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC001475242415 1074801772 /nfs/dbraw/zinc/80/17/72/1074801772.db2.gz QGYBEPZCMVMPRG-AULYBMBSSA-N -1 3 390.452 3.949 20 0 GHADHM CCO[C@@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 ZINC001475253184 1074806726 /nfs/dbraw/zinc/80/67/26/1074806726.db2.gz HZBOAOKAKAICEA-KRWDZBQOSA-N -1 3 388.514 3.866 20 0 GHADHM O=S(=O)([N-]CC1CCCCCC1)c1ccc(I)s1 ZINC001475301543 1074827798 /nfs/dbraw/zinc/82/77/98/1074827798.db2.gz KTLQPZVRCKSBSY-UHFFFAOYSA-N -1 3 399.319 3.601 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)s1 ZINC001475310313 1074829854 /nfs/dbraw/zinc/82/98/54/1074829854.db2.gz BBDKGYOXMFQBEM-LURJTMIESA-N -1 3 391.305 3.674 20 0 GHADHM CCOC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC001475332189 1074837092 /nfs/dbraw/zinc/83/70/92/1074837092.db2.gz BBKPKIGXUPMGBP-UHFFFAOYSA-N -1 3 385.835 3.986 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccc(C)cc32)c1 ZINC001475348129 1074843165 /nfs/dbraw/zinc/84/31/65/1074843165.db2.gz RZJPPFITNUTOFU-GOSISDBHSA-N -1 3 391.464 3.667 20 0 GHADHM C[Si](C)(C)c1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC001475504502 1074899289 /nfs/dbraw/zinc/89/92/89/1074899289.db2.gz CNZAGTFUCKOVKR-UHFFFAOYSA-N -1 3 385.964 3.545 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1OC(F)F)c1cccc(Cl)c1F ZINC001475536605 1074907749 /nfs/dbraw/zinc/90/77/49/1074907749.db2.gz PIMRABIFXACLRO-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC001475580075 1074919252 /nfs/dbraw/zinc/91/92/52/1074919252.db2.gz XRVZHWCHTARNFJ-VHSXEESVSA-N -1 3 378.338 3.715 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c1Br ZINC001475661875 1074995099 /nfs/dbraw/zinc/99/50/99/1074995099.db2.gz MZCUIPGQNJXDKG-JGVFFNPUSA-N -1 3 392.262 3.604 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)c1ccc(F)cc1 ZINC001475698799 1075001615 /nfs/dbraw/zinc/00/16/15/1075001615.db2.gz ZMLYCYVTXIPLCL-KRWDZBQOSA-N -1 3 399.528 3.954 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1C1CCCC1)c1cccc(Br)c1F ZINC001475797862 1075024002 /nfs/dbraw/zinc/02/40/02/1075024002.db2.gz CQYLBOWJCWWZJY-VXGBXAGGSA-N -1 3 376.291 3.693 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnoc3C)cc2)cc1 ZINC000057120023 205154837 /nfs/dbraw/zinc/15/48/37/205154837.db2.gz PUNQFZFCKUMAPJ-UHFFFAOYSA-N -1 3 385.445 3.599 20 0 GHADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1sccc1-c1nnn[n-]1 ZINC000738035125 598823932 /nfs/dbraw/zinc/82/39/32/598823932.db2.gz JNYDIBHTIBQEDP-NSHDSACASA-N -1 3 380.260 3.652 20 0 GHADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1sccc1-c1nn[n-]n1 ZINC000738035125 598823933 /nfs/dbraw/zinc/82/39/33/598823933.db2.gz JNYDIBHTIBQEDP-NSHDSACASA-N -1 3 380.260 3.652 20 0 GHADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821207538 599294320 /nfs/dbraw/zinc/29/43/20/599294320.db2.gz PRXYKLLSJDEMMW-UHFFFAOYSA-N -1 3 396.295 3.692 20 0 GHADHM CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821207538 599294322 /nfs/dbraw/zinc/29/43/22/599294322.db2.gz PRXYKLLSJDEMMW-UHFFFAOYSA-N -1 3 396.295 3.692 20 0 GHADHM O=C(CCc1ccsc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737859850 598834720 /nfs/dbraw/zinc/83/47/20/598834720.db2.gz AUFSPZYXELIHAS-UHFFFAOYSA-N -1 3 395.513 3.906 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000737236960 598839766 /nfs/dbraw/zinc/83/97/66/598839766.db2.gz WBCLYUAPPOUKAZ-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCC2CCCCC2)c1C ZINC000737503411 598840518 /nfs/dbraw/zinc/84/05/18/598840518.db2.gz JECGQZWOCLSLNQ-UHFFFAOYSA-N -1 3 393.495 3.968 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C=C2CCC(C)CC2)c1C ZINC000737504250 598840876 /nfs/dbraw/zinc/84/08/76/598840876.db2.gz ZGFNFSYAOSIWKG-UHFFFAOYSA-N -1 3 391.479 3.744 20 0 GHADHM Clc1cccc(Cl)c1-c1noc(CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737573257 598858838 /nfs/dbraw/zinc/85/88/38/598858838.db2.gz DPVKSAKVDCDFEO-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)on1 ZINC000735923474 598862939 /nfs/dbraw/zinc/86/29/39/598862939.db2.gz VBWJBAZIKGABHP-UHFFFAOYSA-N -1 3 386.481 3.951 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000736040530 598888110 /nfs/dbraw/zinc/88/81/10/598888110.db2.gz PESCNPSMTLAPCV-NSHDSACASA-N -1 3 397.822 3.626 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000736040530 598888112 /nfs/dbraw/zinc/88/81/12/598888112.db2.gz PESCNPSMTLAPCV-NSHDSACASA-N -1 3 397.822 3.626 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000736037442 598889011 /nfs/dbraw/zinc/88/90/11/598889011.db2.gz LHVLYJDGJFMIIT-CYBMUJFWSA-N -1 3 398.850 3.562 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000736037442 598889013 /nfs/dbraw/zinc/88/90/13/598889013.db2.gz LHVLYJDGJFMIIT-CYBMUJFWSA-N -1 3 398.850 3.562 20 0 GHADHM C[C@@H]1CCCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736266204 598890394 /nfs/dbraw/zinc/89/03/94/598890394.db2.gz GYFFUSAQFLPYJL-CYBMUJFWSA-N -1 3 382.493 3.679 20 0 GHADHM CCC[C@@H](CC)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736421727 598890715 /nfs/dbraw/zinc/89/07/15/598890715.db2.gz CQRSJVZCYGUHGC-OAHLLOKOSA-N -1 3 384.509 3.973 20 0 GHADHM CC(C)(C)c1nnc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000735655867 598900449 /nfs/dbraw/zinc/90/04/49/598900449.db2.gz SBRXBOBWFKVDMH-UHFFFAOYSA-N -1 3 393.476 3.902 20 0 GHADHM CC(C)(C)c1nnc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000735655867 598900451 /nfs/dbraw/zinc/90/04/51/598900451.db2.gz SBRXBOBWFKVDMH-UHFFFAOYSA-N -1 3 393.476 3.902 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccc(F)nc1 ZINC000737278695 598904959 /nfs/dbraw/zinc/90/49/59/598904959.db2.gz CWFDPQJZAKEIEH-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM C[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000736267523 598906075 /nfs/dbraw/zinc/90/60/75/598906075.db2.gz SRCZKTVLITZUTJ-AWEZNQCLSA-N -1 3 396.520 3.927 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736266873 598907523 /nfs/dbraw/zinc/90/75/23/598907523.db2.gz KSNTWDCUXDREDA-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736266873 598907525 /nfs/dbraw/zinc/90/75/25/598907525.db2.gz KSNTWDCUXDREDA-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM Fc1cccc(Cl)c1[C@@H]1C[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737661639 598911508 /nfs/dbraw/zinc/91/15/08/598911508.db2.gz OKUMJKDRYQVCRE-QMTHXVAHSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc(Cl)c1[C@@H]1C[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737661639 598911509 /nfs/dbraw/zinc/91/15/09/598911509.db2.gz OKUMJKDRYQVCRE-QMTHXVAHSA-N -1 3 388.859 3.502 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C ZINC000736094953 598925569 /nfs/dbraw/zinc/92/55/69/598925569.db2.gz BOPTYUJMRNHLGE-OAHLLOKOSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C ZINC000736094953 598925570 /nfs/dbraw/zinc/92/55/70/598925570.db2.gz BOPTYUJMRNHLGE-OAHLLOKOSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736056563 598942666 /nfs/dbraw/zinc/94/26/66/598942666.db2.gz PCICVEIUYMHJLI-SECBINFHSA-N -1 3 382.777 3.977 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736056563 598942667 /nfs/dbraw/zinc/94/26/67/598942667.db2.gz PCICVEIUYMHJLI-SECBINFHSA-N -1 3 382.777 3.977 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCO[C@H]1CCCc2ccccc21 ZINC000737556948 598942753 /nfs/dbraw/zinc/94/27/53/598942753.db2.gz AGWKJYZADDRCBN-KRWDZBQOSA-N -1 3 384.871 3.811 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCO[C@H]1CCCc2ccccc21 ZINC000737556948 598942754 /nfs/dbraw/zinc/94/27/54/598942754.db2.gz AGWKJYZADDRCBN-KRWDZBQOSA-N -1 3 384.871 3.811 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738223163 598965745 /nfs/dbraw/zinc/96/57/45/598965745.db2.gz XMZVLCSIIIXVHZ-UHFFFAOYSA-N -1 3 392.337 3.555 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738223163 598965747 /nfs/dbraw/zinc/96/57/47/598965747.db2.gz XMZVLCSIIIXVHZ-UHFFFAOYSA-N -1 3 392.337 3.555 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1Cl ZINC000738381576 598974346 /nfs/dbraw/zinc/97/43/46/598974346.db2.gz IGPUTJRPQNWLKM-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000735818219 598990352 /nfs/dbraw/zinc/99/03/52/598990352.db2.gz KAIHMJLGSDFWMZ-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000735818219 598990354 /nfs/dbraw/zinc/99/03/54/598990354.db2.gz KAIHMJLGSDFWMZ-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736125160 599007394 /nfs/dbraw/zinc/00/73/94/599007394.db2.gz WNRLFUDVFUALDF-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1OCC1CC1 ZINC000736635032 599020619 /nfs/dbraw/zinc/02/06/19/599020619.db2.gz REDYUQQBRCBUQP-UHFFFAOYSA-N -1 3 394.435 3.698 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1OCC1CC1 ZINC000736635032 599020620 /nfs/dbraw/zinc/02/06/20/599020620.db2.gz REDYUQQBRCBUQP-UHFFFAOYSA-N -1 3 394.435 3.698 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OCC1CC1 ZINC000738166677 599022861 /nfs/dbraw/zinc/02/28/61/599022861.db2.gz LMYDBMDGBUVYJE-UHFFFAOYSA-N -1 3 386.362 3.578 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OCC1CC1 ZINC000738166677 599022863 /nfs/dbraw/zinc/02/28/63/599022863.db2.gz LMYDBMDGBUVYJE-UHFFFAOYSA-N -1 3 386.362 3.578 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735750690 599024613 /nfs/dbraw/zinc/02/46/13/599024613.db2.gz RZILBPSPMIWTNP-HXUWFJFHSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735750690 599024614 /nfs/dbraw/zinc/02/46/14/599024614.db2.gz RZILBPSPMIWTNP-HXUWFJFHSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737364474 599028438 /nfs/dbraw/zinc/02/84/38/599028438.db2.gz KTIJGPYSWJSOPX-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000126213689 599034202 /nfs/dbraw/zinc/03/42/02/599034202.db2.gz XPSZEKHLQLXLGL-KBPBESRZSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000126213689 599034204 /nfs/dbraw/zinc/03/42/04/599034204.db2.gz XPSZEKHLQLXLGL-KBPBESRZSA-N -1 3 389.337 3.508 20 0 GHADHM CCOc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736638354 599041281 /nfs/dbraw/zinc/04/12/81/599041281.db2.gz WSEFWIVLLZEQNU-SNVBAGLBSA-N -1 3 378.358 3.852 20 0 GHADHM CCOc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736638354 599041284 /nfs/dbraw/zinc/04/12/84/599041284.db2.gz WSEFWIVLLZEQNU-SNVBAGLBSA-N -1 3 378.358 3.852 20 0 GHADHM CCN(Cc1cccc(Cl)c1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736558571 599043592 /nfs/dbraw/zinc/04/35/92/599043592.db2.gz NHWATJIQFFWPEN-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM CCN(Cc1cccc(Cl)c1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736558571 599043594 /nfs/dbraw/zinc/04/35/94/599043594.db2.gz NHWATJIQFFWPEN-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821854723 599043961 /nfs/dbraw/zinc/04/39/61/599043961.db2.gz SRDAIENEBUJGOI-HNNXBMFYSA-N -1 3 391.353 3.830 20 0 GHADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821854723 599043965 /nfs/dbraw/zinc/04/39/65/599043965.db2.gz SRDAIENEBUJGOI-HNNXBMFYSA-N -1 3 391.353 3.830 20 0 GHADHM COc1ccccc1[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737147082 599054365 /nfs/dbraw/zinc/05/43/65/599054365.db2.gz JQHRZDRFTZWOMO-CYBMUJFWSA-N -1 3 390.369 3.631 20 0 GHADHM COc1ccccc1[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737147082 599054368 /nfs/dbraw/zinc/05/43/68/599054368.db2.gz JQHRZDRFTZWOMO-CYBMUJFWSA-N -1 3 390.369 3.631 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000735874576 599060424 /nfs/dbraw/zinc/06/04/24/599060424.db2.gz RDHBQBRUKXWNSK-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000735874576 599060426 /nfs/dbraw/zinc/06/04/26/599060426.db2.gz RDHBQBRUKXWNSK-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736425187 599084442 /nfs/dbraw/zinc/08/44/42/599084442.db2.gz FCJCDGBCTVXPQB-WMZOPIPTSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736425187 599084445 /nfs/dbraw/zinc/08/44/45/599084445.db2.gz FCJCDGBCTVXPQB-WMZOPIPTSA-N -1 3 393.491 3.552 20 0 GHADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821679004 599090507 /nfs/dbraw/zinc/09/05/07/599090507.db2.gz VUMYDIHZVVQFRK-LBPRGKRZSA-N -1 3 398.776 3.734 20 0 GHADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821679004 599090509 /nfs/dbraw/zinc/09/05/09/599090509.db2.gz VUMYDIHZVVQFRK-LBPRGKRZSA-N -1 3 398.776 3.734 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737390717 599103788 /nfs/dbraw/zinc/10/37/88/599103788.db2.gz WENXRBHPPWACSK-JXFKEZNVSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737220023 599118030 /nfs/dbraw/zinc/11/80/30/599118030.db2.gz UZQSLCKRTGRLLE-MRXNPFEDSA-N -1 3 392.507 3.904 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737220023 599118032 /nfs/dbraw/zinc/11/80/32/599118032.db2.gz UZQSLCKRTGRLLE-MRXNPFEDSA-N -1 3 392.507 3.904 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000821699680 599134832 /nfs/dbraw/zinc/13/48/32/599134832.db2.gz ZCWHFYDEYZXTBD-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000821699680 599134835 /nfs/dbraw/zinc/13/48/35/599134835.db2.gz ZCWHFYDEYZXTBD-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM O=C(/C=C/C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822922587 599142755 /nfs/dbraw/zinc/14/27/55/599142755.db2.gz HVTPSROGUPUVSM-DHZHZOJOSA-N -1 3 377.423 3.501 20 0 GHADHM O=C(/C=C/C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822922587 599142756 /nfs/dbraw/zinc/14/27/56/599142756.db2.gz HVTPSROGUPUVSM-DHZHZOJOSA-N -1 3 377.423 3.501 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000820152080 599143342 /nfs/dbraw/zinc/14/33/42/599143342.db2.gz SKGNZFXOMBGSLF-GOSISDBHSA-N -1 3 395.488 3.623 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000820152080 599143345 /nfs/dbraw/zinc/14/33/45/599143345.db2.gz SKGNZFXOMBGSLF-GOSISDBHSA-N -1 3 395.488 3.623 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081565 599145934 /nfs/dbraw/zinc/14/59/34/599145934.db2.gz LKUAMBHAHSPYPO-LJQANCHMSA-N -1 3 393.516 3.886 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081565 599145936 /nfs/dbraw/zinc/14/59/36/599145936.db2.gz LKUAMBHAHSPYPO-LJQANCHMSA-N -1 3 393.516 3.886 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822232940 599149478 /nfs/dbraw/zinc/14/94/78/599149478.db2.gz FDFORDDSGQJNJG-MJGOQNOKSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822232940 599149481 /nfs/dbraw/zinc/14/94/81/599149481.db2.gz FDFORDDSGQJNJG-MJGOQNOKSA-N -1 3 377.448 3.590 20 0 GHADHM O=C(CCCC1CCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822955521 599151692 /nfs/dbraw/zinc/15/16/92/599151692.db2.gz YWRHIFXHTJPQQG-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM C/C(=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819766058 599152417 /nfs/dbraw/zinc/15/24/17/599152417.db2.gz UTYBZYJEIFZOEH-QXMHVHEDSA-N -1 3 379.468 3.600 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(F)c1Cl ZINC000823299407 599152631 /nfs/dbraw/zinc/15/26/31/599152631.db2.gz WAORQCFBDIHQPE-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(F)c1Cl ZINC000823299407 599152633 /nfs/dbraw/zinc/15/26/33/599152633.db2.gz WAORQCFBDIHQPE-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM COc1ccc(-c2nc3cc(Br)ccc3s2)cc1-c1nnn[n-]1 ZINC000821731425 599155900 /nfs/dbraw/zinc/15/59/00/599155900.db2.gz CUWHRLGIYXVUNL-UHFFFAOYSA-N -1 3 388.250 3.915 20 0 GHADHM COc1ccc(-c2nc3cc(Br)ccc3s2)cc1-c1nn[n-]n1 ZINC000821731425 599155903 /nfs/dbraw/zinc/15/59/03/599155903.db2.gz CUWHRLGIYXVUNL-UHFFFAOYSA-N -1 3 388.250 3.915 20 0 GHADHM Clc1cc(Cl)cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737564807 599158163 /nfs/dbraw/zinc/15/81/63/599158163.db2.gz KEUXEGYWYYWDHM-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cc(Cl)cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737564807 599158164 /nfs/dbraw/zinc/15/81/64/599158164.db2.gz KEUXEGYWYYWDHM-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000736678702 599160767 /nfs/dbraw/zinc/16/07/67/599160767.db2.gz FQSYCSDIZYHQFP-VHSXEESVSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000736678702 599160768 /nfs/dbraw/zinc/16/07/68/599160768.db2.gz FQSYCSDIZYHQFP-VHSXEESVSA-N -1 3 375.404 3.511 20 0 GHADHM CCOc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000736651963 599160939 /nfs/dbraw/zinc/16/09/39/599160939.db2.gz UQJSETGMFYITJG-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCOc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000736651963 599160941 /nfs/dbraw/zinc/16/09/41/599160941.db2.gz UQJSETGMFYITJG-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM COC(=O)c1cc2cc(CSc3ccc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000736951974 599166583 /nfs/dbraw/zinc/16/65/83/599166583.db2.gz XAKABIFFQRJRNF-UHFFFAOYSA-N -1 3 384.392 3.831 20 0 GHADHM COC(=O)c1cc2cc(CSc3ccc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000736951974 599166586 /nfs/dbraw/zinc/16/65/86/599166586.db2.gz XAKABIFFQRJRNF-UHFFFAOYSA-N -1 3 384.392 3.831 20 0 GHADHM Cc1ccc(C)c(CSCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737322213 599166795 /nfs/dbraw/zinc/16/67/95/599166795.db2.gz KCUGWBHLXFMYSC-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1ccc(C)c(CSCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737322213 599166797 /nfs/dbraw/zinc/16/67/97/599166797.db2.gz KCUGWBHLXFMYSC-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1ccc([C@@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737333283 599167428 /nfs/dbraw/zinc/16/74/28/599167428.db2.gz SRROKBQOVDTPML-GDWUOILNSA-N -1 3 391.500 3.505 20 0 GHADHM Cc1ccc([C@@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737333283 599167430 /nfs/dbraw/zinc/16/74/30/599167430.db2.gz SRROKBQOVDTPML-GDWUOILNSA-N -1 3 391.500 3.505 20 0 GHADHM CC(C)[C@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735707632 599168687 /nfs/dbraw/zinc/16/86/87/599168687.db2.gz JMROEYHJRJYGPQ-INIZCTEOSA-N -1 3 399.495 3.654 20 0 GHADHM CC(C)[C@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735707632 599168688 /nfs/dbraw/zinc/16/86/88/599168688.db2.gz JMROEYHJRJYGPQ-INIZCTEOSA-N -1 3 399.495 3.654 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223462 599171388 /nfs/dbraw/zinc/17/13/88/599171388.db2.gz ISKDTMHDSLSTFB-XNJGSVPQSA-N -1 3 391.516 3.627 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223462 599171389 /nfs/dbraw/zinc/17/13/89/599171389.db2.gz ISKDTMHDSLSTFB-XNJGSVPQSA-N -1 3 391.516 3.627 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822977881 599172153 /nfs/dbraw/zinc/17/21/53/599172153.db2.gz AWPLUANJNYWWOW-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822977881 599172155 /nfs/dbraw/zinc/17/21/55/599172155.db2.gz AWPLUANJNYWWOW-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM Cc1sc(NC(=O)c2cc(Br)ccc2C)c(-c2nnn[n-]2)c1C ZINC000737307481 599178691 /nfs/dbraw/zinc/17/86/91/599178691.db2.gz YGKFBHWAVWSJDW-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2cc(Br)ccc2C)c(-c2nn[n-]n2)c1C ZINC000737307481 599178693 /nfs/dbraw/zinc/17/86/93/599178693.db2.gz YGKFBHWAVWSJDW-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822228767 599179261 /nfs/dbraw/zinc/17/92/61/599179261.db2.gz FEIMNXVQSHPTFR-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822228767 599179263 /nfs/dbraw/zinc/17/92/63/599179263.db2.gz FEIMNXVQSHPTFR-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735446977 599183554 /nfs/dbraw/zinc/18/35/54/599183554.db2.gz AXXSPJLUOUMUDU-ZRDIBKRKSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735446977 599183556 /nfs/dbraw/zinc/18/35/56/599183556.db2.gz AXXSPJLUOUMUDU-ZRDIBKRKSA-N -1 3 387.365 3.952 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819958799 599182566 /nfs/dbraw/zinc/18/25/66/599182566.db2.gz QKALLOLKMUIGSZ-IZZDOVSWSA-N -1 3 379.439 3.633 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819958799 599182568 /nfs/dbraw/zinc/18/25/68/599182568.db2.gz QKALLOLKMUIGSZ-IZZDOVSWSA-N -1 3 379.439 3.633 20 0 GHADHM COc1ccc2sc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737120966 599182913 /nfs/dbraw/zinc/18/29/13/599182913.db2.gz VJGDZYUIYVGUFX-LBPRGKRZSA-N -1 3 393.472 3.889 20 0 GHADHM COc1ccc2sc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737120966 599182915 /nfs/dbraw/zinc/18/29/15/599182915.db2.gz VJGDZYUIYVGUFX-LBPRGKRZSA-N -1 3 393.472 3.889 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823493010 599191944 /nfs/dbraw/zinc/19/19/44/599191944.db2.gz DJTHKMNDVBJYKI-NRFANRHFSA-N -1 3 381.439 3.807 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823493010 599191946 /nfs/dbraw/zinc/19/19/46/599191946.db2.gz DJTHKMNDVBJYKI-NRFANRHFSA-N -1 3 381.439 3.807 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1sccc1-c1nnn[n-]1 ZINC000737995470 599197992 /nfs/dbraw/zinc/19/79/92/599197992.db2.gz LKWAXTJPODBSOX-CQSZACIVSA-N -1 3 381.486 3.704 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1sccc1-c1nn[n-]n1 ZINC000737995470 599197994 /nfs/dbraw/zinc/19/79/94/599197994.db2.gz LKWAXTJPODBSOX-CQSZACIVSA-N -1 3 381.486 3.704 20 0 GHADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000819965482 599194522 /nfs/dbraw/zinc/19/45/22/599194522.db2.gz IHUXSUYEJCONSG-OAHLLOKOSA-N -1 3 396.520 3.988 20 0 GHADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000819965482 599194525 /nfs/dbraw/zinc/19/45/25/599194525.db2.gz IHUXSUYEJCONSG-OAHLLOKOSA-N -1 3 396.520 3.988 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823078408 599213037 /nfs/dbraw/zinc/21/30/37/599213037.db2.gz MDYBATSBCMFDMQ-UHFFFAOYSA-N -1 3 399.429 3.805 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823078408 599213038 /nfs/dbraw/zinc/21/30/38/599213038.db2.gz MDYBATSBCMFDMQ-UHFFFAOYSA-N -1 3 399.429 3.805 20 0 GHADHM O=C(COC1CCCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823027139 599218990 /nfs/dbraw/zinc/21/89/90/599218990.db2.gz NQLMEQISMIWKDK-UHFFFAOYSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(COC1CCCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823027139 599218992 /nfs/dbraw/zinc/21/89/92/599218992.db2.gz NQLMEQISMIWKDK-UHFFFAOYSA-N -1 3 397.410 3.696 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3-c3nnn[n-]3)C[C@@H]21 ZINC000736207319 599222760 /nfs/dbraw/zinc/22/27/60/599222760.db2.gz QZWYVRFFNHEOEP-IYBDPMFKSA-N -1 3 391.500 3.746 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3-c3nn[n-]n3)C[C@@H]21 ZINC000736207319 599222763 /nfs/dbraw/zinc/22/27/63/599222763.db2.gz QZWYVRFFNHEOEP-IYBDPMFKSA-N -1 3 391.500 3.746 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736402548 599223882 /nfs/dbraw/zinc/22/38/82/599223882.db2.gz NRJPHSYQQIWCOP-HNNXBMFYSA-N -1 3 392.463 3.706 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736402548 599223884 /nfs/dbraw/zinc/22/38/84/599223884.db2.gz NRJPHSYQQIWCOP-HNNXBMFYSA-N -1 3 392.463 3.706 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2C)c1 ZINC000737436173 599231855 /nfs/dbraw/zinc/23/18/55/599231855.db2.gz FZFWEWVZSFZGJC-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2C)c1 ZINC000737436173 599231856 /nfs/dbraw/zinc/23/18/56/599231856.db2.gz FZFWEWVZSFZGJC-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737833641 599227383 /nfs/dbraw/zinc/22/73/83/599227383.db2.gz ZCLPWGVDGGNYGB-JFIYKMOQSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000737833641 599227387 /nfs/dbraw/zinc/22/73/87/599227387.db2.gz ZCLPWGVDGGNYGB-JFIYKMOQSA-N -1 3 383.496 3.501 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380109 599235276 /nfs/dbraw/zinc/23/52/76/599235276.db2.gz LMBNYCAPGSWAGS-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380109 599235278 /nfs/dbraw/zinc/23/52/78/599235278.db2.gz LMBNYCAPGSWAGS-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820173368 599237668 /nfs/dbraw/zinc/23/76/68/599237668.db2.gz BSJPYOGCTWLICW-CYBMUJFWSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820173368 599237670 /nfs/dbraw/zinc/23/76/70/599237670.db2.gz BSJPYOGCTWLICW-CYBMUJFWSA-N -1 3 382.493 3.702 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)c1 ZINC000822284566 607270354 /nfs/dbraw/zinc/27/03/54/607270354.db2.gz VFNHDERIUQHSNZ-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)c1 ZINC000822284566 607270355 /nfs/dbraw/zinc/27/03/55/607270355.db2.gz VFNHDERIUQHSNZ-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1c(NC(=O)CCc2ccc(OC(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822068422 607268877 /nfs/dbraw/zinc/26/88/77/607268877.db2.gz RSEMNFVRLOEUIZ-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM Cc1c(NC(=O)CCc2ccc(OC(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822068422 607268878 /nfs/dbraw/zinc/26/88/78/607268878.db2.gz RSEMNFVRLOEUIZ-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM CCCOc1cccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821133982 607278067 /nfs/dbraw/zinc/27/80/67/607278067.db2.gz KAEIPQKRDBSRIJ-UHFFFAOYSA-N -1 3 393.491 3.635 20 0 GHADHM CCCOc1cccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821133982 607278068 /nfs/dbraw/zinc/27/80/68/607278068.db2.gz KAEIPQKRDBSRIJ-UHFFFAOYSA-N -1 3 393.491 3.635 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820869333 599252113 /nfs/dbraw/zinc/25/21/13/599252113.db2.gz GPRGSVLQKNMVCT-STQMWFEESA-N -1 3 399.524 3.860 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820869333 599252114 /nfs/dbraw/zinc/25/21/14/599252114.db2.gz GPRGSVLQKNMVCT-STQMWFEESA-N -1 3 399.524 3.860 20 0 GHADHM Cc1c(NC(=O)NCC2(Sc3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000822096434 607283279 /nfs/dbraw/zinc/28/32/79/607283279.db2.gz MRWQXPVFLJRNSB-UHFFFAOYSA-N -1 3 380.477 3.622 20 0 GHADHM Cc1c(NC(=O)NCC2(Sc3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822096434 607283280 /nfs/dbraw/zinc/28/32/80/607283280.db2.gz MRWQXPVFLJRNSB-UHFFFAOYSA-N -1 3 380.477 3.622 20 0 GHADHM Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)sc1C ZINC000822435992 607284708 /nfs/dbraw/zinc/28/47/08/607284708.db2.gz DVYQVMCFEZYZPK-AWEZNQCLSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)sc1C ZINC000822435992 607284709 /nfs/dbraw/zinc/28/47/09/607284709.db2.gz DVYQVMCFEZYZPK-AWEZNQCLSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)cc1 ZINC000822234594 607285173 /nfs/dbraw/zinc/28/51/73/607285173.db2.gz AQKLSDVUPRBBFL-GOSISDBHSA-N -1 3 390.491 3.970 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)cc1 ZINC000822234594 607285174 /nfs/dbraw/zinc/28/51/74/607285174.db2.gz AQKLSDVUPRBBFL-GOSISDBHSA-N -1 3 390.491 3.970 20 0 GHADHM Cc1c(NC(=O)NCCc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822104884 607286874 /nfs/dbraw/zinc/28/68/74/607286874.db2.gz RLTXIGBPGLJMFY-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM Cc1c(NC(=O)NCCc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822104884 607286875 /nfs/dbraw/zinc/28/68/75/607286875.db2.gz RLTXIGBPGLJMFY-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cccc1-c1nnn[n-]1 ZINC000822092183 607289429 /nfs/dbraw/zinc/28/94/29/607289429.db2.gz VPXUICJCRFKIFX-INIZCTEOSA-N -1 3 396.426 3.738 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cccc1-c1nn[n-]n1 ZINC000822092183 607289430 /nfs/dbraw/zinc/28/94/30/607289430.db2.gz VPXUICJCRFKIFX-INIZCTEOSA-N -1 3 396.426 3.738 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccccc2OC(C)C)cccc1-c1nnn[n-]1 ZINC000822091878 607289444 /nfs/dbraw/zinc/28/94/44/607289444.db2.gz UINATVAAYWLITE-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccccc2OC(C)C)cccc1-c1nn[n-]n1 ZINC000822091878 607289445 /nfs/dbraw/zinc/28/94/45/607289445.db2.gz UINATVAAYWLITE-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737942640 599260668 /nfs/dbraw/zinc/26/06/68/599260668.db2.gz MHBZPKZEDGEDGX-UHFFFAOYSA-N -1 3 385.537 3.824 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737942640 599260670 /nfs/dbraw/zinc/26/06/70/599260670.db2.gz MHBZPKZEDGEDGX-UHFFFAOYSA-N -1 3 385.537 3.824 20 0 GHADHM COc1ccc(CNc2cccc(-c3nc(C)c(C)o3)c2)cc1-c1nnn[n-]1 ZINC000821821297 607313359 /nfs/dbraw/zinc/31/33/59/607313359.db2.gz DURINGXIZKFOHI-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM COc1ccc(CNc2cccc(-c3nc(C)c(C)o3)c2)cc1-c1nn[n-]n1 ZINC000821821297 607313360 /nfs/dbraw/zinc/31/33/60/607313360.db2.gz DURINGXIZKFOHI-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823737785 607313821 /nfs/dbraw/zinc/31/38/21/607313821.db2.gz KLUNBRVMXHDPEW-UHFFFAOYSA-N -1 3 398.430 3.659 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823737785 607313822 /nfs/dbraw/zinc/31/38/22/607313822.db2.gz KLUNBRVMXHDPEW-UHFFFAOYSA-N -1 3 398.430 3.659 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000737248058 599267396 /nfs/dbraw/zinc/26/73/96/599267396.db2.gz DLJLIOVBPLKWFG-IBGZPJMESA-N -1 3 386.459 3.610 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000737248058 599267398 /nfs/dbraw/zinc/26/73/98/599267398.db2.gz DLJLIOVBPLKWFG-IBGZPJMESA-N -1 3 386.459 3.610 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1c(-c2nnn[n-]2)cnc2ccccc21)CC3 ZINC000737657028 599271386 /nfs/dbraw/zinc/27/13/86/599271386.db2.gz SLIGVMAOPFFYEY-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1c(-c2nn[n-]n2)cnc2ccccc21)CC3 ZINC000737657028 599271388 /nfs/dbraw/zinc/27/13/88/599271388.db2.gz SLIGVMAOPFFYEY-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000821762616 599274854 /nfs/dbraw/zinc/27/48/54/599274854.db2.gz NGBDGLWNSCZDSU-GOSISDBHSA-N -1 3 392.463 3.861 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000821762616 599274856 /nfs/dbraw/zinc/27/48/56/599274856.db2.gz NGBDGLWNSCZDSU-GOSISDBHSA-N -1 3 392.463 3.861 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684348 599275708 /nfs/dbraw/zinc/27/57/08/599275708.db2.gz GUQHNFSKGFHBGN-CXAGYDPISA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684348 599275709 /nfs/dbraw/zinc/27/57/09/599275709.db2.gz GUQHNFSKGFHBGN-CXAGYDPISA-N -1 3 380.452 3.630 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000736488385 599277576 /nfs/dbraw/zinc/27/75/76/599277576.db2.gz QNKNJXHUKBQLPL-CQSZACIVSA-N -1 3 396.520 3.949 20 0 GHADHM COc1ccc(-c2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2C)cc1 ZINC000737056368 599288714 /nfs/dbraw/zinc/28/87/14/599288714.db2.gz KLSBNNVEFYUCOY-LBPRGKRZSA-N -1 3 393.476 3.524 20 0 GHADHM COc1ccc(-c2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2C)cc1 ZINC000737056368 599288715 /nfs/dbraw/zinc/28/87/15/599288715.db2.gz KLSBNNVEFYUCOY-LBPRGKRZSA-N -1 3 393.476 3.524 20 0 GHADHM CC(C)CN(C(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819607 599291295 /nfs/dbraw/zinc/29/12/95/599291295.db2.gz ZKSZHNNQFNGDSG-KRWDZBQOSA-N -1 3 379.489 3.745 20 0 GHADHM CC(C)CN(C(=O)[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819607 599291296 /nfs/dbraw/zinc/29/12/96/599291296.db2.gz ZKSZHNNQFNGDSG-KRWDZBQOSA-N -1 3 379.489 3.745 20 0 GHADHM O=C(COc1ccccc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737924831 598231304 /nfs/dbraw/zinc/23/13/04/598231304.db2.gz JUKPCUFXCSPDTN-UHFFFAOYSA-N -1 3 387.399 3.677 20 0 GHADHM O=C(COc1ccccc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737924831 598231307 /nfs/dbraw/zinc/23/13/07/598231307.db2.gz JUKPCUFXCSPDTN-UHFFFAOYSA-N -1 3 387.399 3.677 20 0 GHADHM O=C(Cc1cccc(F)c1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737970583 598231431 /nfs/dbraw/zinc/23/14/31/598231431.db2.gz XHPHPHCTZGQANL-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1cccc(F)c1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737970583 598231433 /nfs/dbraw/zinc/23/14/33/598231433.db2.gz XHPHPHCTZGQANL-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM Cc1ccncc1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737445578 598234047 /nfs/dbraw/zinc/23/40/47/598234047.db2.gz RQMMSGULWQBGIC-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccncc1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737445578 598234049 /nfs/dbraw/zinc/23/40/49/598234049.db2.gz RQMMSGULWQBGIC-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736664975 598234648 /nfs/dbraw/zinc/23/46/48/598234648.db2.gz BXEKBZNSZQTXJH-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736664975 598234650 /nfs/dbraw/zinc/23/46/50/598234650.db2.gz BXEKBZNSZQTXJH-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738163274 598256656 /nfs/dbraw/zinc/25/66/56/598256656.db2.gz KFNNZCVHGNFYGV-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738163274 598256658 /nfs/dbraw/zinc/25/66/58/598256658.db2.gz KFNNZCVHGNFYGV-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM c1ccc(-n2nc(CSCc3ccc(-c4nnn[n-]4)cc3)c3c2CCC3)cc1 ZINC000738425746 598274400 /nfs/dbraw/zinc/27/44/00/598274400.db2.gz NIODGQYJLHZWCC-UHFFFAOYSA-N -1 3 388.500 3.975 20 0 GHADHM c1ccc(-n2nc(CSCc3ccc(-c4nn[n-]n4)cc3)c3c2CCC3)cc1 ZINC000738425746 598274402 /nfs/dbraw/zinc/27/44/02/598274402.db2.gz NIODGQYJLHZWCC-UHFFFAOYSA-N -1 3 388.500 3.975 20 0 GHADHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000735512460 598287613 /nfs/dbraw/zinc/28/76/13/598287613.db2.gz KKISNUQHTILPEN-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000735512460 598287614 /nfs/dbraw/zinc/28/76/14/598287614.db2.gz KKISNUQHTILPEN-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735873605 598293784 /nfs/dbraw/zinc/29/37/84/598293784.db2.gz IFDOMKBMQCDGFF-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735873605 598293786 /nfs/dbraw/zinc/29/37/86/598293786.db2.gz IFDOMKBMQCDGFF-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000737637637 598296106 /nfs/dbraw/zinc/29/61/06/598296106.db2.gz AMNCGNLAKGXZIL-UHFFFAOYSA-N -1 3 396.373 3.511 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000737637637 598296107 /nfs/dbraw/zinc/29/61/07/598296107.db2.gz AMNCGNLAKGXZIL-UHFFFAOYSA-N -1 3 396.373 3.511 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000737294959 598296393 /nfs/dbraw/zinc/29/63/93/598296393.db2.gz VBCFOALTEDTUOW-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000737294959 598296394 /nfs/dbraw/zinc/29/63/94/598296394.db2.gz VBCFOALTEDTUOW-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CC(C)(C)OCc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000735639495 598298489 /nfs/dbraw/zinc/29/84/89/598298489.db2.gz JKOKCIQBTYYLGZ-UHFFFAOYSA-N -1 3 378.480 3.678 20 0 GHADHM CC(C)(C)OCc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000735639495 598298491 /nfs/dbraw/zinc/29/84/91/598298491.db2.gz JKOKCIQBTYYLGZ-UHFFFAOYSA-N -1 3 378.480 3.678 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737288621 598301257 /nfs/dbraw/zinc/30/12/57/598301257.db2.gz PVBVXOBYRJIENV-OAHLLOKOSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737288621 598301258 /nfs/dbraw/zinc/30/12/58/598301258.db2.gz PVBVXOBYRJIENV-OAHLLOKOSA-N -1 3 399.458 3.676 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1cc(Cl)c2c(c1)OCCO2 ZINC000737647008 598314171 /nfs/dbraw/zinc/31/41/71/598314171.db2.gz ACVZDDAIOJRZGM-UHFFFAOYSA-N -1 3 392.843 3.864 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1cc(Cl)c2c(c1)OCCO2 ZINC000737647008 598314173 /nfs/dbraw/zinc/31/41/73/598314173.db2.gz ACVZDDAIOJRZGM-UHFFFAOYSA-N -1 3 392.843 3.864 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736187451 598314673 /nfs/dbraw/zinc/31/46/73/598314673.db2.gz AVSZGUUUHZWISK-OLZOCXBDSA-N -1 3 397.479 3.605 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736187451 598314675 /nfs/dbraw/zinc/31/46/75/598314675.db2.gz AVSZGUUUHZWISK-OLZOCXBDSA-N -1 3 397.479 3.605 20 0 GHADHM Fc1cccc(-n2ccc(CSCc3ccc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000737664958 598315876 /nfs/dbraw/zinc/31/58/76/598315876.db2.gz GRAYOOHFYKVIQZ-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Fc1cccc(-n2ccc(CSCc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000737664958 598315878 /nfs/dbraw/zinc/31/58/78/598315878.db2.gz GRAYOOHFYKVIQZ-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)N[C@@H](C)c1cccs1 ZINC000736482333 598320291 /nfs/dbraw/zinc/32/02/91/598320291.db2.gz ZKNPUDUGGPPCBK-ZDUSSCGKSA-N -1 3 386.550 3.776 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)N[C@@H](C)c1cccs1 ZINC000736482333 598320292 /nfs/dbraw/zinc/32/02/92/598320292.db2.gz ZKNPUDUGGPPCBK-ZDUSSCGKSA-N -1 3 386.550 3.776 20 0 GHADHM CCCCOc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736464129 598323402 /nfs/dbraw/zinc/32/34/02/598323402.db2.gz WKLFPJQOWFSRGE-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCCCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736464129 598323404 /nfs/dbraw/zinc/32/34/04/598323404.db2.gz WKLFPJQOWFSRGE-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1csc(C(C)C)n1 ZINC000736627047 598325624 /nfs/dbraw/zinc/32/56/24/598325624.db2.gz IBHVJCPZSCBPOT-UHFFFAOYSA-N -1 3 393.856 3.718 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1csc(C(C)C)n1 ZINC000736627047 598325626 /nfs/dbraw/zinc/32/56/26/598325626.db2.gz IBHVJCPZSCBPOT-UHFFFAOYSA-N -1 3 393.856 3.718 20 0 GHADHM O=C(OC[C@H]1CC=CCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738221420 598326350 /nfs/dbraw/zinc/32/63/50/598326350.db2.gz WOOULSQMRLIQDI-AWEZNQCLSA-N -1 3 380.404 3.552 20 0 GHADHM O=C(OC[C@H]1CC=CCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738221420 598326351 /nfs/dbraw/zinc/32/63/51/598326351.db2.gz WOOULSQMRLIQDI-AWEZNQCLSA-N -1 3 380.404 3.552 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736197925 598327549 /nfs/dbraw/zinc/32/75/49/598327549.db2.gz FBTZYBZMFFDUHO-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736197925 598327551 /nfs/dbraw/zinc/32/75/51/598327551.db2.gz FBTZYBZMFFDUHO-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM O=C(c1cccc(F)c1F)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738274222 598328103 /nfs/dbraw/zinc/32/81/03/598328103.db2.gz QFIZYGIDXPIXJU-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1cccc(F)c1F)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738274222 598328106 /nfs/dbraw/zinc/32/81/06/598328106.db2.gz QFIZYGIDXPIXJU-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM CCN(C(=O)[C@@H]1CCCc2sccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146915 607350969 /nfs/dbraw/zinc/35/09/69/607350969.db2.gz AOPCCZCPLVVUDW-CXAGYDPISA-N -1 3 381.505 3.958 20 0 GHADHM CCN(C(=O)[C@@H]1CCCc2sccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146915 607350972 /nfs/dbraw/zinc/35/09/72/607350972.db2.gz AOPCCZCPLVVUDW-CXAGYDPISA-N -1 3 381.505 3.958 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736391746 598359036 /nfs/dbraw/zinc/35/90/36/598359036.db2.gz NHSXXWXKGIPPEK-KRWDZBQOSA-N -1 3 383.427 3.925 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736391746 598359038 /nfs/dbraw/zinc/35/90/38/598359038.db2.gz NHSXXWXKGIPPEK-KRWDZBQOSA-N -1 3 383.427 3.925 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C2CCCCC2)n1 ZINC000737601953 598366021 /nfs/dbraw/zinc/36/60/21/598366021.db2.gz GBFZVQPWINKNRP-UHFFFAOYSA-N -1 3 385.859 3.554 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C2CCCCC2)n1 ZINC000737601953 598366023 /nfs/dbraw/zinc/36/60/23/598366023.db2.gz GBFZVQPWINKNRP-UHFFFAOYSA-N -1 3 385.859 3.554 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1cc(Cl)ccc1Cl ZINC000738387838 598370271 /nfs/dbraw/zinc/37/02/71/598370271.db2.gz PXFLDINPZWRXOU-LBPRGKRZSA-N -1 3 397.287 3.706 20 0 GHADHM CCC(CC)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736338587 598382682 /nfs/dbraw/zinc/38/26/82/598382682.db2.gz YIDJCMFTNOXOKZ-GOSISDBHSA-N -1 3 384.509 3.634 20 0 GHADHM CCOc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OCC ZINC000736637826 598386081 /nfs/dbraw/zinc/38/60/81/598386081.db2.gz QZZXFUBKCMURPX-NSHDSACASA-N -1 3 388.859 3.886 20 0 GHADHM CCOc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OCC ZINC000736637826 598386083 /nfs/dbraw/zinc/38/60/83/598386083.db2.gz QZZXFUBKCMURPX-NSHDSACASA-N -1 3 388.859 3.886 20 0 GHADHM Fc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1Oc1cccnc1 ZINC000737645443 598392848 /nfs/dbraw/zinc/39/28/48/598392848.db2.gz YNGZNBGDZFJOOE-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM Fc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc1Oc1cccnc1 ZINC000737645443 598392849 /nfs/dbraw/zinc/39/28/49/598392849.db2.gz YNGZNBGDZFJOOE-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c(F)c2)cc1 ZINC000106733784 598393850 /nfs/dbraw/zinc/39/38/50/598393850.db2.gz RGIWCARYXZDAOP-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c(F)c2)cc1 ZINC000106733784 598393852 /nfs/dbraw/zinc/39/38/52/598393852.db2.gz RGIWCARYXZDAOP-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM Cc1nc(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)oc1-c1ccccc1 ZINC000737472537 598410893 /nfs/dbraw/zinc/41/08/93/598410893.db2.gz UEFMEMIDNABECB-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1nc(CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)oc1-c1ccccc1 ZINC000737472537 598410894 /nfs/dbraw/zinc/41/08/94/598410894.db2.gz UEFMEMIDNABECB-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000738236903 598412147 /nfs/dbraw/zinc/41/21/47/598412147.db2.gz ULXGZRLQYQGURU-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000738236903 598412148 /nfs/dbraw/zinc/41/21/48/598412148.db2.gz ULXGZRLQYQGURU-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737107335 598413501 /nfs/dbraw/zinc/41/35/01/598413501.db2.gz BLQXBFZXDRIZKG-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107335 598413502 /nfs/dbraw/zinc/41/35/02/598413502.db2.gz BLQXBFZXDRIZKG-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737975080 598419023 /nfs/dbraw/zinc/41/90/23/598419023.db2.gz JYECCMGACXVXTE-UHFFFAOYSA-N -1 3 390.472 3.722 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737975080 598419025 /nfs/dbraw/zinc/41/90/25/598419025.db2.gz JYECCMGACXVXTE-UHFFFAOYSA-N -1 3 390.472 3.722 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000736240676 598429754 /nfs/dbraw/zinc/42/97/54/598429754.db2.gz WFPPTPCQWGASOV-KDOFPFPSSA-N -1 3 394.479 3.703 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000736240676 598429756 /nfs/dbraw/zinc/42/97/56/598429756.db2.gz WFPPTPCQWGASOV-KDOFPFPSSA-N -1 3 394.479 3.703 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccccc1OCc1cccs1 ZINC000738235606 598431991 /nfs/dbraw/zinc/43/19/91/598431991.db2.gz TXAVAXLKPSQZEZ-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccccc1OCc1cccs1 ZINC000738235606 598431992 /nfs/dbraw/zinc/43/19/92/598431992.db2.gz TXAVAXLKPSQZEZ-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736117763 598432845 /nfs/dbraw/zinc/43/28/45/598432845.db2.gz KYMGNOYLATYLPU-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736117763 598432847 /nfs/dbraw/zinc/43/28/47/598432847.db2.gz KYMGNOYLATYLPU-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM CSCc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182779 598450759 /nfs/dbraw/zinc/45/07/59/598450759.db2.gz TVEZKKZPNCUFFW-UHFFFAOYSA-N -1 3 385.518 3.602 20 0 GHADHM CSCc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182779 598450761 /nfs/dbraw/zinc/45/07/61/598450761.db2.gz TVEZKKZPNCUFFW-UHFFFAOYSA-N -1 3 385.518 3.602 20 0 GHADHM Cc1nc([C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cs1 ZINC000737470735 598455965 /nfs/dbraw/zinc/45/59/65/598455965.db2.gz LLDXLSARBQUHTQ-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc([C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cs1 ZINC000737470735 598455967 /nfs/dbraw/zinc/45/59/67/598455967.db2.gz LLDXLSARBQUHTQ-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000737640102 598458017 /nfs/dbraw/zinc/45/80/17/598458017.db2.gz JQHCMLQOKODWIH-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737571241 598461398 /nfs/dbraw/zinc/46/13/98/598461398.db2.gz XUQHOEKSPLSNMT-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737571241 598461399 /nfs/dbraw/zinc/46/13/99/598461399.db2.gz XUQHOEKSPLSNMT-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000736109881 598475846 /nfs/dbraw/zinc/47/58/46/598475846.db2.gz BKAIUTSWGMOQKT-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000736109881 598475848 /nfs/dbraw/zinc/47/58/48/598475848.db2.gz BKAIUTSWGMOQKT-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000736646855 598476552 /nfs/dbraw/zinc/47/65/52/598476552.db2.gz LRUJMWSONIOJEY-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000736646855 598476553 /nfs/dbraw/zinc/47/65/53/598476553.db2.gz LRUJMWSONIOJEY-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737471815 598483573 /nfs/dbraw/zinc/48/35/73/598483573.db2.gz UKJBYSODKFMMCA-JTQLQIEISA-N -1 3 377.326 3.507 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737471815 598483576 /nfs/dbraw/zinc/48/35/76/598483576.db2.gz UKJBYSODKFMMCA-JTQLQIEISA-N -1 3 377.326 3.507 20 0 GHADHM Cc1ccc(C)c(SCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737326049 598491342 /nfs/dbraw/zinc/49/13/42/598491342.db2.gz JREAZSBKPXYEBI-UHFFFAOYSA-N -1 3 384.509 3.771 20 0 GHADHM Cc1ccc(C)c(SCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737326049 598491344 /nfs/dbraw/zinc/49/13/44/598491344.db2.gz JREAZSBKPXYEBI-UHFFFAOYSA-N -1 3 384.509 3.771 20 0 GHADHM Cc1ccc(N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C2CCCCC2)nc1 ZINC000737347339 598494913 /nfs/dbraw/zinc/49/49/13/598494913.db2.gz MUUHBNXBGXZGAG-WYMLVPIESA-N -1 3 388.475 3.949 20 0 GHADHM Cc1ccc(N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C2CCCCC2)nc1 ZINC000737347339 598494914 /nfs/dbraw/zinc/49/49/14/598494914.db2.gz MUUHBNXBGXZGAG-WYMLVPIESA-N -1 3 388.475 3.949 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000589875454 598495337 /nfs/dbraw/zinc/49/53/37/598495337.db2.gz SCJLKAKHJMMPSZ-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000589875454 598495339 /nfs/dbraw/zinc/49/53/39/598495339.db2.gz SCJLKAKHJMMPSZ-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccccc2F)c1-c1nnn[n-]1 ZINC000736669458 598514004 /nfs/dbraw/zinc/51/40/04/598514004.db2.gz IAPCKWJVAKLABI-UHFFFAOYSA-N -1 3 389.456 3.736 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccccc2F)c1-c1nn[n-]n1 ZINC000736669458 598514006 /nfs/dbraw/zinc/51/40/06/598514006.db2.gz IAPCKWJVAKLABI-UHFFFAOYSA-N -1 3 389.456 3.736 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111708 598514550 /nfs/dbraw/zinc/51/45/50/598514550.db2.gz JFHLVVDXRZDQPV-ZIAGYGMSSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111708 598514551 /nfs/dbraw/zinc/51/45/51/598514551.db2.gz JFHLVVDXRZDQPV-ZIAGYGMSSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206878 598514595 /nfs/dbraw/zinc/51/45/95/598514595.db2.gz HRWZAPXSEMMVKD-NXEZZACHSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206878 598514597 /nfs/dbraw/zinc/51/45/97/598514597.db2.gz HRWZAPXSEMMVKD-NXEZZACHSA-N -1 3 380.260 3.977 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1-c1nnn[n-]1 ZINC000736675813 598515713 /nfs/dbraw/zinc/51/57/13/598515713.db2.gz ORUSELNLMYOOEY-UHFFFAOYSA-N -1 3 392.488 3.771 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1-c1nn[n-]n1 ZINC000736675813 598515715 /nfs/dbraw/zinc/51/57/15/598515715.db2.gz ORUSELNLMYOOEY-UHFFFAOYSA-N -1 3 392.488 3.771 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC000736679542 598516276 /nfs/dbraw/zinc/51/62/76/598516276.db2.gz WUJIWHNZTVKGFP-UHFFFAOYSA-N -1 3 376.511 3.805 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC000736679542 598516278 /nfs/dbraw/zinc/51/62/78/598516278.db2.gz WUJIWHNZTVKGFP-UHFFFAOYSA-N -1 3 376.511 3.805 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(Cl)c(C)c2)c1-c1nnn[n-]1 ZINC000736675786 598517687 /nfs/dbraw/zinc/51/76/87/598517687.db2.gz NHJSMQLHCKKNQT-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(Cl)c(C)c2)c1-c1nn[n-]n1 ZINC000736675786 598517689 /nfs/dbraw/zinc/51/76/89/598517689.db2.gz NHJSMQLHCKKNQT-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(Cl)nc(Cl)c2)c1-c1nnn[n-]1 ZINC000736674473 598518556 /nfs/dbraw/zinc/51/85/56/598518556.db2.gz CQMKXKSPMASPTR-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(Cl)nc(Cl)c2)c1-c1nn[n-]n1 ZINC000736674473 598518557 /nfs/dbraw/zinc/51/85/57/598518557.db2.gz CQMKXKSPMASPTR-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000736669327 598518810 /nfs/dbraw/zinc/51/88/10/598518810.db2.gz FADJZOYBMUWMNT-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000736669327 598518811 /nfs/dbraw/zinc/51/88/11/598518811.db2.gz FADJZOYBMUWMNT-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737857035 598536549 /nfs/dbraw/zinc/53/65/49/598536549.db2.gz KICIVGBPNBRGDI-UHFFFAOYSA-N -1 3 378.432 3.726 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737857035 598536550 /nfs/dbraw/zinc/53/65/50/598536550.db2.gz KICIVGBPNBRGDI-UHFFFAOYSA-N -1 3 378.432 3.726 20 0 GHADHM CCCCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736459966 598537413 /nfs/dbraw/zinc/53/74/13/598537413.db2.gz CNWRRHBGRQZJRV-UHFFFAOYSA-N -1 3 396.520 3.841 20 0 GHADHM CCCCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736459966 598537414 /nfs/dbraw/zinc/53/74/14/598537414.db2.gz CNWRRHBGRQZJRV-UHFFFAOYSA-N -1 3 396.520 3.841 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736188818 598537687 /nfs/dbraw/zinc/53/76/87/598537687.db2.gz QFXDUUMELWNVKL-APPDUMDISA-N -1 3 384.823 3.518 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736188818 598537689 /nfs/dbraw/zinc/53/76/89/598537689.db2.gz QFXDUUMELWNVKL-APPDUMDISA-N -1 3 384.823 3.518 20 0 GHADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736244787 598538358 /nfs/dbraw/zinc/53/83/58/598538358.db2.gz NEFDHDSMWQNOJJ-BDQBCWGISA-N -1 3 395.463 3.593 20 0 GHADHM O=C(OCc1ccccc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738233139 598539682 /nfs/dbraw/zinc/53/96/82/598539682.db2.gz DKTJJMOLWVQJRC-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000737315643 598544171 /nfs/dbraw/zinc/54/41/71/598544171.db2.gz PGQHBOLUXQVSMM-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000737315643 598544172 /nfs/dbraw/zinc/54/41/72/598544172.db2.gz PGQHBOLUXQVSMM-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM CSc1ccc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737193665 598551185 /nfs/dbraw/zinc/55/11/85/598551185.db2.gz VBQGZJKIDRZRJZ-UHFFFAOYSA-N -1 3 391.403 3.751 20 0 GHADHM CSc1ccc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737193665 598551187 /nfs/dbraw/zinc/55/11/87/598551187.db2.gz VBQGZJKIDRZRJZ-UHFFFAOYSA-N -1 3 391.403 3.751 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737463406 598553560 /nfs/dbraw/zinc/55/35/60/598553560.db2.gz QXYYHVXHJJSTKL-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737463406 598553562 /nfs/dbraw/zinc/55/35/62/598553562.db2.gz QXYYHVXHJJSTKL-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM O=C(Cc1ccsc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737974443 598556217 /nfs/dbraw/zinc/55/62/17/598556217.db2.gz ASESVMQZXVMVNN-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM O=C(Cc1ccsc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737974443 598556218 /nfs/dbraw/zinc/55/62/18/598556218.db2.gz ASESVMQZXVMVNN-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM Cn1cc(Cl)cc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737610904 598557317 /nfs/dbraw/zinc/55/73/17/598557317.db2.gz SFNSZLNSCUUOHQ-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cn1cc(Cl)cc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737610904 598557318 /nfs/dbraw/zinc/55/73/18/598557318.db2.gz SFNSZLNSCUUOHQ-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cc(C2CC2)[nH]n1 ZINC000738173916 598557864 /nfs/dbraw/zinc/55/78/64/598557864.db2.gz VPURCQBARCNKFQ-UHFFFAOYSA-N -1 3 387.403 3.512 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc(C2CC2)[nH]n1 ZINC000738173916 598557865 /nfs/dbraw/zinc/55/78/65/598557865.db2.gz VPURCQBARCNKFQ-UHFFFAOYSA-N -1 3 387.403 3.512 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NC1CCSCC1 ZINC000738173434 598566440 /nfs/dbraw/zinc/56/64/40/598566440.db2.gz QNNXVYJHGPYXNP-UHFFFAOYSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NC1CCSCC1 ZINC000738173434 598566441 /nfs/dbraw/zinc/56/64/41/598566441.db2.gz QNNXVYJHGPYXNP-UHFFFAOYSA-N -1 3 396.476 3.676 20 0 GHADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737320791 598568140 /nfs/dbraw/zinc/56/81/40/598568140.db2.gz UZSPUNXXAAUEOQ-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737320791 598568141 /nfs/dbraw/zinc/56/81/41/598568141.db2.gz UZSPUNXXAAUEOQ-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817881 598568280 /nfs/dbraw/zinc/56/82/80/598568280.db2.gz GHDYOBRULQMOJQ-SJORKVTESA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817881 598568281 /nfs/dbraw/zinc/56/82/81/598568281.db2.gz GHDYOBRULQMOJQ-SJORKVTESA-N -1 3 397.429 3.938 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000736671393 598569705 /nfs/dbraw/zinc/56/97/05/598569705.db2.gz XIIYBWJCBGHRIL-VXGBXAGGSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000736671393 598569707 /nfs/dbraw/zinc/56/97/07/598569707.db2.gz XIIYBWJCBGHRIL-VXGBXAGGSA-N -1 3 389.431 3.819 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1NC(=O)c1ccccc1 ZINC000737315193 598573602 /nfs/dbraw/zinc/57/36/02/598573602.db2.gz KYXKHRBWVDDRBZ-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1NC(=O)c1ccccc1 ZINC000737315193 598573604 /nfs/dbraw/zinc/57/36/04/598573604.db2.gz KYXKHRBWVDDRBZ-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM O=Cc1cccc(OCc2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000068253528 598587388 /nfs/dbraw/zinc/58/73/88/598587388.db2.gz SWWOKNNZKGXJAQ-UHFFFAOYSA-N -1 3 399.410 3.511 20 0 GHADHM O=Cc1cccc(OCc2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000068253528 598587389 /nfs/dbraw/zinc/58/73/89/598587389.db2.gz SWWOKNNZKGXJAQ-UHFFFAOYSA-N -1 3 399.410 3.511 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737464227 598588215 /nfs/dbraw/zinc/58/82/15/598588215.db2.gz GKNZRMGVCBDNQZ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737464227 598588216 /nfs/dbraw/zinc/58/82/16/598588216.db2.gz GKNZRMGVCBDNQZ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737936513 598590771 /nfs/dbraw/zinc/59/07/71/598590771.db2.gz RVPDCWXJSSYVPF-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737936513 598590773 /nfs/dbraw/zinc/59/07/73/598590773.db2.gz RVPDCWXJSSYVPF-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)n1Cc1ccccc1 ZINC000737237630 598597913 /nfs/dbraw/zinc/59/79/13/598597913.db2.gz BIBBLOSJCINAHF-UHFFFAOYSA-N -1 3 390.422 3.725 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)n1Cc1ccccc1 ZINC000737237630 598597915 /nfs/dbraw/zinc/59/79/15/598597915.db2.gz BIBBLOSJCINAHF-UHFFFAOYSA-N -1 3 390.422 3.725 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccccc2Cl)no1 ZINC000736166991 598609769 /nfs/dbraw/zinc/60/97/69/598609769.db2.gz BTSDBLVSARIFHH-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccccc2Cl)no1 ZINC000736166990 598609890 /nfs/dbraw/zinc/60/98/90/598609890.db2.gz BTSDBLVSARIFHH-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM CC(C)Cc1noc(-c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000735851094 598610581 /nfs/dbraw/zinc/61/05/81/598610581.db2.gz MCBASPKJMANETF-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM CC(C)Cc1noc(-c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000735851094 598610583 /nfs/dbraw/zinc/61/05/83/598610583.db2.gz MCBASPKJMANETF-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC(c1ccccc1)c1ccccc1 ZINC000738165435 598625845 /nfs/dbraw/zinc/62/58/45/598625845.db2.gz DKANSEBCNWKUNX-UHFFFAOYSA-N -1 3 388.406 3.917 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC(c1ccccc1)c1ccccc1 ZINC000738165435 598625847 /nfs/dbraw/zinc/62/58/47/598625847.db2.gz DKANSEBCNWKUNX-UHFFFAOYSA-N -1 3 388.406 3.917 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000737570343 598632156 /nfs/dbraw/zinc/63/21/56/598632156.db2.gz FRBLHXBKGWNMME-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000737570343 598632158 /nfs/dbraw/zinc/63/21/58/598632158.db2.gz FRBLHXBKGWNMME-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Fc1ccc(C2(CNc3cc(Cl)ccc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737647851 598635320 /nfs/dbraw/zinc/63/53/20/598635320.db2.gz FKBPVVORAAOGFK-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(C2(CNc3cc(Cl)ccc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737647851 598635322 /nfs/dbraw/zinc/63/53/22/598635322.db2.gz FKBPVVORAAOGFK-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737274506 598636757 /nfs/dbraw/zinc/63/67/57/598636757.db2.gz NFSLZDGSLMUHDD-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737274506 598636758 /nfs/dbraw/zinc/63/67/58/598636758.db2.gz NFSLZDGSLMUHDD-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737504299 598637976 /nfs/dbraw/zinc/63/79/76/598637976.db2.gz RTDVCSYTSWMHPW-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737504299 598637978 /nfs/dbraw/zinc/63/79/78/598637978.db2.gz RTDVCSYTSWMHPW-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1Cl ZINC000737832826 598645310 /nfs/dbraw/zinc/64/53/10/598645310.db2.gz MUHPDCWEKTWYJK-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1Cl ZINC000737832826 598645312 /nfs/dbraw/zinc/64/53/12/598645312.db2.gz MUHPDCWEKTWYJK-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736479385 598648480 /nfs/dbraw/zinc/64/84/80/598648480.db2.gz GMXMXJXWQIEEGR-UHFFFAOYSA-N -1 3 381.505 3.706 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736479385 598648481 /nfs/dbraw/zinc/64/84/81/598648481.db2.gz GMXMXJXWQIEEGR-UHFFFAOYSA-N -1 3 381.505 3.706 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CC1 ZINC000737833498 598648928 /nfs/dbraw/zinc/64/89/28/598648928.db2.gz UKEYKQLKVFZAQY-UHFFFAOYSA-N -1 3 391.475 3.607 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CC1 ZINC000737833498 598648930 /nfs/dbraw/zinc/64/89/30/598648930.db2.gz UKEYKQLKVFZAQY-UHFFFAOYSA-N -1 3 391.475 3.607 20 0 GHADHM C[C@@H](N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)(C)C ZINC000736100394 598649530 /nfs/dbraw/zinc/64/95/30/598649530.db2.gz YLMMAOBVWODTPY-CYBMUJFWSA-N -1 3 380.452 3.561 20 0 GHADHM C[C@@H](N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)(C)C ZINC000736100394 598649531 /nfs/dbraw/zinc/64/95/31/598649531.db2.gz YLMMAOBVWODTPY-CYBMUJFWSA-N -1 3 380.452 3.561 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274398 598649713 /nfs/dbraw/zinc/64/97/13/598649713.db2.gz UPQQXKYLDZKAIA-KSSFIOAISA-N -1 3 392.463 3.705 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274398 598649715 /nfs/dbraw/zinc/64/97/15/598649715.db2.gz UPQQXKYLDZKAIA-KSSFIOAISA-N -1 3 392.463 3.705 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737425090 598650411 /nfs/dbraw/zinc/65/04/11/598650411.db2.gz YWWWPDVUXIPOQT-KRWDZBQOSA-N -1 3 393.491 3.944 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737425090 598650413 /nfs/dbraw/zinc/65/04/13/598650413.db2.gz YWWWPDVUXIPOQT-KRWDZBQOSA-N -1 3 393.491 3.944 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C(C)c1cccc(F)c1 ZINC000736479946 598651731 /nfs/dbraw/zinc/65/17/31/598651731.db2.gz NIPXIOYNZWNYDT-NTCAYCPXSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C(C)c1cccc(F)c1 ZINC000736479946 598651732 /nfs/dbraw/zinc/65/17/32/598651732.db2.gz NIPXIOYNZWNYDT-NTCAYCPXSA-N -1 3 379.439 3.848 20 0 GHADHM COc1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1OC ZINC000737041116 598652358 /nfs/dbraw/zinc/65/23/58/598652358.db2.gz LYBIJAAWJJTVGG-SNVBAGLBSA-N -1 3 389.843 3.719 20 0 GHADHM COc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1OC ZINC000737041116 598652359 /nfs/dbraw/zinc/65/23/59/598652359.db2.gz LYBIJAAWJJTVGG-SNVBAGLBSA-N -1 3 389.843 3.719 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736111137 598653444 /nfs/dbraw/zinc/65/34/44/598653444.db2.gz KTURLVLVYCFKCK-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736111137 598653445 /nfs/dbraw/zinc/65/34/45/598653445.db2.gz KTURLVLVYCFKCK-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737278186 598655639 /nfs/dbraw/zinc/65/56/39/598655639.db2.gz GIXDHWPSPOIFBV-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737278186 598655640 /nfs/dbraw/zinc/65/56/40/598655640.db2.gz GIXDHWPSPOIFBV-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737291154 598657571 /nfs/dbraw/zinc/65/75/71/598657571.db2.gz IIZHBTLTZFWXLA-AWEZNQCLSA-N -1 3 375.354 3.850 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737291154 598657573 /nfs/dbraw/zinc/65/75/73/598657573.db2.gz IIZHBTLTZFWXLA-AWEZNQCLSA-N -1 3 375.354 3.850 20 0 GHADHM CCC[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736436706 598657674 /nfs/dbraw/zinc/65/76/74/598657674.db2.gz SJZIUXPOEOVOAH-QFBILLFUSA-N -1 3 385.512 3.891 20 0 GHADHM CCC[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736436706 598657675 /nfs/dbraw/zinc/65/76/75/598657675.db2.gz SJZIUXPOEOVOAH-QFBILLFUSA-N -1 3 385.512 3.891 20 0 GHADHM CCCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736439206 598661676 /nfs/dbraw/zinc/66/16/76/598661676.db2.gz SJZLCJAWXHKOME-IZLCOFNUSA-N -1 3 391.475 3.936 20 0 GHADHM CCCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736439206 598661679 /nfs/dbraw/zinc/66/16/79/598661679.db2.gz SJZLCJAWXHKOME-IZLCOFNUSA-N -1 3 391.475 3.936 20 0 GHADHM CC(C)C[C@H](C)Oc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000735761648 598675328 /nfs/dbraw/zinc/67/53/28/598675328.db2.gz OTSXAHXYFQKQEM-LBPRGKRZSA-N -1 3 387.875 3.736 20 0 GHADHM CC(C)C[C@H](C)Oc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000735761648 598675330 /nfs/dbraw/zinc/67/53/30/598675330.db2.gz OTSXAHXYFQKQEM-LBPRGKRZSA-N -1 3 387.875 3.736 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccco2)C1 ZINC000738278494 598695397 /nfs/dbraw/zinc/69/53/97/598695397.db2.gz LUXGJFSJYXQHPA-HNNXBMFYSA-N -1 3 385.427 3.756 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccco2)C1 ZINC000738278494 598695399 /nfs/dbraw/zinc/69/53/99/598695399.db2.gz LUXGJFSJYXQHPA-HNNXBMFYSA-N -1 3 385.427 3.756 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736279042 598696024 /nfs/dbraw/zinc/69/60/24/598696024.db2.gz JRNLRFZJVYYKEZ-CYBMUJFWSA-N -1 3 397.479 3.607 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736279042 598696026 /nfs/dbraw/zinc/69/60/26/598696026.db2.gz JRNLRFZJVYYKEZ-CYBMUJFWSA-N -1 3 397.479 3.607 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737426494 598697030 /nfs/dbraw/zinc/69/70/30/598697030.db2.gz MXHWEDBAKHOJNY-AWEZNQCLSA-N -1 3 399.495 3.595 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737426494 598697031 /nfs/dbraw/zinc/69/70/31/598697031.db2.gz MXHWEDBAKHOJNY-AWEZNQCLSA-N -1 3 399.495 3.595 20 0 GHADHM Cc1cc2occ(CC(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c2cc1C ZINC000737286087 598701810 /nfs/dbraw/zinc/70/18/10/598701810.db2.gz YNJGQMTWDHLMCA-UHFFFAOYSA-N -1 3 380.379 3.655 20 0 GHADHM Cc1cc2occ(CC(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c2cc1C ZINC000737286087 598701812 /nfs/dbraw/zinc/70/18/12/598701812.db2.gz YNJGQMTWDHLMCA-UHFFFAOYSA-N -1 3 380.379 3.655 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2ccccc2c(Cl)n1 ZINC000738234886 598708596 /nfs/dbraw/zinc/70/85/96/598708596.db2.gz GEIHKBDGUKKHPZ-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC000738234886 598708598 /nfs/dbraw/zinc/70/85/98/598708598.db2.gz GEIHKBDGUKKHPZ-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000736155153 598713609 /nfs/dbraw/zinc/71/36/09/598713609.db2.gz IRKRTWVOUBGYCQ-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000736155153 598713611 /nfs/dbraw/zinc/71/36/11/598713611.db2.gz IRKRTWVOUBGYCQ-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM Fc1ccc(-c2cnc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)o2)cc1 ZINC000737652713 598723189 /nfs/dbraw/zinc/72/31/89/598723189.db2.gz OCSJOJTWHAQYSJ-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM Fc1ccc(-c2cnc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)o2)cc1 ZINC000737652713 598723191 /nfs/dbraw/zinc/72/31/91/598723191.db2.gz OCSJOJTWHAQYSJ-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM CC(C)CN(C(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817896 598735757 /nfs/dbraw/zinc/73/57/57/598735757.db2.gz GPKZXMMCFJHICG-UHFFFAOYSA-N -1 3 394.460 3.886 20 0 GHADHM CC(C)CN(C(=O)c1cnc(-c2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817896 598735759 /nfs/dbraw/zinc/73/57/59/598735759.db2.gz GPKZXMMCFJHICG-UHFFFAOYSA-N -1 3 394.460 3.886 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)ccc1F ZINC000737237685 598736734 /nfs/dbraw/zinc/73/67/34/598736734.db2.gz CAFXZVFMXXGCBD-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM C[C@@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)(C)C ZINC000735974585 598745535 /nfs/dbraw/zinc/74/55/35/598745535.db2.gz LTHPEWBFCBLMMK-HNNXBMFYSA-N -1 3 385.512 3.699 20 0 GHADHM CC(C)N(C(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000736162927 598753983 /nfs/dbraw/zinc/75/39/83/598753983.db2.gz FRMNIDADDVIDKM-INIZCTEOSA-N -1 3 393.491 3.946 20 0 GHADHM CC(C)N(C(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000736162927 598753985 /nfs/dbraw/zinc/75/39/85/598753985.db2.gz FRMNIDADDVIDKM-INIZCTEOSA-N -1 3 393.491 3.946 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCS1 ZINC000736293248 598754480 /nfs/dbraw/zinc/75/44/80/598754480.db2.gz SLQXCZNJUSJLKB-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCS1 ZINC000736293248 598754482 /nfs/dbraw/zinc/75/44/82/598754482.db2.gz SLQXCZNJUSJLKB-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM COC(=O)CCSCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736919626 598755799 /nfs/dbraw/zinc/75/57/99/598755799.db2.gz UOWDQUJMGRQPBK-UHFFFAOYSA-N -1 3 387.440 3.546 20 0 GHADHM COC(=O)CCSCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736919626 598755800 /nfs/dbraw/zinc/75/58/00/598755800.db2.gz UOWDQUJMGRQPBK-UHFFFAOYSA-N -1 3 387.440 3.546 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCc4c3cccc4F)c2c1 ZINC000737643845 598771876 /nfs/dbraw/zinc/77/18/76/598771876.db2.gz GOLHJXCQNJYEBT-MRXNPFEDSA-N -1 3 382.349 3.932 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCc4c3cccc4F)c2c1 ZINC000737643845 598771877 /nfs/dbraw/zinc/77/18/77/598771877.db2.gz GOLHJXCQNJYEBT-MRXNPFEDSA-N -1 3 382.349 3.932 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000737058362 598781897 /nfs/dbraw/zinc/78/18/97/598781897.db2.gz KUJAOHCIROQAEH-UHFFFAOYSA-N -1 3 394.479 3.956 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000737058362 598781898 /nfs/dbraw/zinc/78/18/98/598781898.db2.gz KUJAOHCIROQAEH-UHFFFAOYSA-N -1 3 394.479 3.956 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H]1CCc2ccccc21 ZINC000738211296 598789460 /nfs/dbraw/zinc/78/94/60/598789460.db2.gz MQKHXCBGKXTUKJ-INIZCTEOSA-N -1 3 388.456 3.659 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H]1CCc2ccccc21 ZINC000738211296 598789462 /nfs/dbraw/zinc/78/94/62/598789462.db2.gz MQKHXCBGKXTUKJ-INIZCTEOSA-N -1 3 388.456 3.659 20 0 GHADHM Fc1ccc(N2CC[C@@H](CNc3ccc(Cl)cc3-c3nnn[n-]3)C2)cc1F ZINC000737659582 598794678 /nfs/dbraw/zinc/79/46/78/598794678.db2.gz JOOAHWIPSMKBSL-NSHDSACASA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@@H](CNc3ccc(Cl)cc3-c3nn[n-]n3)C2)cc1F ZINC000737659582 598794679 /nfs/dbraw/zinc/79/46/79/598794679.db2.gz JOOAHWIPSMKBSL-NSHDSACASA-N -1 3 390.825 3.737 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC/C=C\c1ccccc1 ZINC000735830479 598797974 /nfs/dbraw/zinc/79/79/74/598797974.db2.gz GTNCHWFQZBFFPL-TWGQIWQCSA-N -1 3 390.491 3.748 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC/C=C\c1ccccc1 ZINC000735830479 598797976 /nfs/dbraw/zinc/79/79/76/598797976.db2.gz GTNCHWFQZBFFPL-TWGQIWQCSA-N -1 3 390.491 3.748 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738116003 598801676 /nfs/dbraw/zinc/80/16/76/598801676.db2.gz GAMSKQQNHOIMPL-GOSISDBHSA-N -1 3 396.882 3.861 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738116003 598801678 /nfs/dbraw/zinc/80/16/78/598801678.db2.gz GAMSKQQNHOIMPL-GOSISDBHSA-N -1 3 396.882 3.861 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737564775 598807546 /nfs/dbraw/zinc/80/75/46/598807546.db2.gz STMJYNBSXOXCNQ-UHFFFAOYSA-N -1 3 382.424 3.727 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737564775 598807547 /nfs/dbraw/zinc/80/75/47/598807547.db2.gz STMJYNBSXOXCNQ-UHFFFAOYSA-N -1 3 382.424 3.727 20 0 GHADHM CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736509669 598821285 /nfs/dbraw/zinc/82/12/85/598821285.db2.gz ZJSXXNSPGGZCEZ-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCOc1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736627612 598822236 /nfs/dbraw/zinc/82/22/36/598822236.db2.gz NRSLLFIFLCQKKS-OAHLLOKOSA-N -1 3 379.464 3.797 20 0 GHADHM CCOc1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736627612 598822237 /nfs/dbraw/zinc/82/22/37/598822237.db2.gz NRSLLFIFLCQKKS-OAHLLOKOSA-N -1 3 379.464 3.797 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736169407 599305944 /nfs/dbraw/zinc/30/59/44/599305944.db2.gz NFHDLMMVHZCWJW-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736169407 599305948 /nfs/dbraw/zinc/30/59/48/599305948.db2.gz NFHDLMMVHZCWJW-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@@H](SCCC(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189814 599328910 /nfs/dbraw/zinc/32/89/10/599328910.db2.gz RGPHEKKWLZZHQN-CQSZACIVSA-N -1 3 379.489 3.640 20 0 GHADHM C[C@@H](SCCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189814 599328912 /nfs/dbraw/zinc/32/89/12/599328912.db2.gz RGPHEKKWLZZHQN-CQSZACIVSA-N -1 3 379.489 3.640 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735496179 599329782 /nfs/dbraw/zinc/32/97/82/599329782.db2.gz XJCLREQQKROTCE-UONOGXRCSA-N -1 3 395.488 3.891 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735496179 599329785 /nfs/dbraw/zinc/32/97/85/599329785.db2.gz XJCLREQQKROTCE-UONOGXRCSA-N -1 3 395.488 3.891 20 0 GHADHM C[C@H](SCC(=O)NCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191733 599331111 /nfs/dbraw/zinc/33/11/11/599331111.db2.gz WHQBFRVRYJPFHF-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](SCC(=O)NCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191733 599331114 /nfs/dbraw/zinc/33/11/14/599331114.db2.gz WHQBFRVRYJPFHF-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737153525 599331227 /nfs/dbraw/zinc/33/12/27/599331227.db2.gz SDUIYAUYZWZSMI-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737153525 599331230 /nfs/dbraw/zinc/33/12/30/599331230.db2.gz SDUIYAUYZWZSMI-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000819913716 599349018 /nfs/dbraw/zinc/34/90/18/599349018.db2.gz CNIQZUPWJYPRJA-UHFFFAOYSA-N -1 3 399.495 3.925 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000819913716 599349022 /nfs/dbraw/zinc/34/90/22/599349022.db2.gz CNIQZUPWJYPRJA-UHFFFAOYSA-N -1 3 399.495 3.925 20 0 GHADHM CN(C)c1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588345 599360715 /nfs/dbraw/zinc/36/07/15/599360715.db2.gz NPCZKWSHHWOQKY-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM CN(C)c1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588345 599360717 /nfs/dbraw/zinc/36/07/17/599360717.db2.gz NPCZKWSHHWOQKY-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000737931480 599366427 /nfs/dbraw/zinc/36/64/27/599366427.db2.gz HHRIHTJNXLOKAF-UHFFFAOYSA-N -1 3 397.508 3.509 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCCCC2)[nH]n1 ZINC000737931480 599366430 /nfs/dbraw/zinc/36/64/30/599366430.db2.gz HHRIHTJNXLOKAF-UHFFFAOYSA-N -1 3 397.508 3.509 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)n1cccc1 ZINC000735974893 599371528 /nfs/dbraw/zinc/37/15/28/599371528.db2.gz DBKFVYYIHYHBOE-CYBMUJFWSA-N -1 3 384.509 3.979 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)n1cccc1 ZINC000735974893 599371531 /nfs/dbraw/zinc/37/15/31/599371531.db2.gz DBKFVYYIHYHBOE-CYBMUJFWSA-N -1 3 384.509 3.979 20 0 GHADHM Cc1nc(SCC(=O)N[C@@H](C)CCC(C)(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737484716 599381082 /nfs/dbraw/zinc/38/10/82/599381082.db2.gz WMERJPJEIHPLGB-NSHDSACASA-N -1 3 390.557 3.610 20 0 GHADHM Cc1nc(SCC(=O)N[C@@H](C)CCC(C)(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737484716 599381085 /nfs/dbraw/zinc/38/10/85/599381085.db2.gz WMERJPJEIHPLGB-NSHDSACASA-N -1 3 390.557 3.610 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822154803 599390368 /nfs/dbraw/zinc/39/03/68/599390368.db2.gz ZUTVFUOEOUPBHT-CHWSQXEVSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822154803 599390371 /nfs/dbraw/zinc/39/03/71/599390371.db2.gz ZUTVFUOEOUPBHT-CHWSQXEVSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1ccccc1-c1noc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000822345855 607373409 /nfs/dbraw/zinc/37/34/09/607373409.db2.gz UUQPCWFHAITSGT-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccccc1-c1noc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000822345855 607373411 /nfs/dbraw/zinc/37/34/11/607373411.db2.gz UUQPCWFHAITSGT-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1cccc(-c2noc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)n2)c1 ZINC000822284089 607375083 /nfs/dbraw/zinc/37/50/83/607375083.db2.gz JEIAPYKXHYKCCE-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1cccc(-c2noc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)n2)c1 ZINC000822284089 607375084 /nfs/dbraw/zinc/37/50/84/607375084.db2.gz JEIAPYKXHYKCCE-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM O=C(COC(=O)C1(c2cccs2)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415034 607375148 /nfs/dbraw/zinc/37/51/48/607375148.db2.gz PCLMWQAIRMHRMZ-UHFFFAOYSA-N -1 3 396.472 3.556 20 0 GHADHM O=C(COC(=O)C1(c2cccs2)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415034 607375149 /nfs/dbraw/zinc/37/51/49/607375149.db2.gz PCLMWQAIRMHRMZ-UHFFFAOYSA-N -1 3 396.472 3.556 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358540 599435897 /nfs/dbraw/zinc/43/58/97/599435897.db2.gz NMSGYWRYLUCYMT-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358540 599435898 /nfs/dbraw/zinc/43/58/98/599435898.db2.gz NMSGYWRYLUCYMT-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)c1 ZINC000737137706 599440123 /nfs/dbraw/zinc/44/01/23/599440123.db2.gz CZFNDWSYOQSWAM-CQSZACIVSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3cc(Cl)ccc3-c3nn[n-]n3)C2)c1 ZINC000737137706 599440126 /nfs/dbraw/zinc/44/01/26/599440126.db2.gz CZFNDWSYOQSWAM-CQSZACIVSA-N -1 3 384.871 3.610 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822350217 599440500 /nfs/dbraw/zinc/44/05/00/599440500.db2.gz BFWOJWQJSPPHRQ-HNAYVOBHSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822350217 599440503 /nfs/dbraw/zinc/44/05/03/599440503.db2.gz BFWOJWQJSPPHRQ-HNAYVOBHSA-N -1 3 378.480 3.933 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913851 599442998 /nfs/dbraw/zinc/44/29/98/599442998.db2.gz KWNGIFLUEJDBLB-FZKQIMNGSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913851 599442999 /nfs/dbraw/zinc/44/29/99/599442999.db2.gz KWNGIFLUEJDBLB-FZKQIMNGSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357279 599449633 /nfs/dbraw/zinc/44/96/33/599449633.db2.gz FJWYKGYONYOMIT-KIAYWQFFSA-N -1 3 396.882 3.827 20 0 GHADHM C[C@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357279 599449634 /nfs/dbraw/zinc/44/96/34/599449634.db2.gz FJWYKGYONYOMIT-KIAYWQFFSA-N -1 3 396.882 3.827 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820570431 599460607 /nfs/dbraw/zinc/46/06/07/599460607.db2.gz JSIOXVRNFPTWML-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820570431 599460608 /nfs/dbraw/zinc/46/06/08/599460608.db2.gz JSIOXVRNFPTWML-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821616904 599466081 /nfs/dbraw/zinc/46/60/81/599466081.db2.gz NEKZPXYVQUPGIK-UHFFFAOYSA-N -1 3 396.451 3.562 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821616904 599466083 /nfs/dbraw/zinc/46/60/83/599466083.db2.gz NEKZPXYVQUPGIK-UHFFFAOYSA-N -1 3 396.451 3.562 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820087753 599472263 /nfs/dbraw/zinc/47/22/63/599472263.db2.gz ZBQQKNVOHPKACL-KRWDZBQOSA-N -1 3 392.507 3.838 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820087753 599472265 /nfs/dbraw/zinc/47/22/65/599472265.db2.gz ZBQQKNVOHPKACL-KRWDZBQOSA-N -1 3 392.507 3.838 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340673 599473128 /nfs/dbraw/zinc/47/31/28/599473128.db2.gz MRYJGBFLDXQYCD-OAHLLOKOSA-N -1 3 376.464 3.517 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340673 599473130 /nfs/dbraw/zinc/47/31/30/599473130.db2.gz MRYJGBFLDXQYCD-OAHLLOKOSA-N -1 3 376.464 3.517 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820341265 599473484 /nfs/dbraw/zinc/47/34/84/599473484.db2.gz PEZOHTDWPRRSLH-NWDGAFQWSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820341265 599473485 /nfs/dbraw/zinc/47/34/85/599473485.db2.gz PEZOHTDWPRRSLH-NWDGAFQWSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340671 599473492 /nfs/dbraw/zinc/47/34/92/599473492.db2.gz MRYJGBFLDXQYCD-HNNXBMFYSA-N -1 3 376.464 3.517 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340671 599473495 /nfs/dbraw/zinc/47/34/95/599473495.db2.gz MRYJGBFLDXQYCD-HNNXBMFYSA-N -1 3 376.464 3.517 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222788 599479426 /nfs/dbraw/zinc/47/94/26/599479426.db2.gz ZMCRPYNSRADEAB-CYBMUJFWSA-N -1 3 384.871 3.813 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222788 599479429 /nfs/dbraw/zinc/47/94/29/599479429.db2.gz ZMCRPYNSRADEAB-CYBMUJFWSA-N -1 3 384.871 3.813 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340980 599482273 /nfs/dbraw/zinc/48/22/73/599482273.db2.gz OGOLQPXAXDTCPV-GQIGUUNPSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340980 599482275 /nfs/dbraw/zinc/48/22/75/599482275.db2.gz OGOLQPXAXDTCPV-GQIGUUNPSA-N -1 3 390.491 3.763 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227472 599484706 /nfs/dbraw/zinc/48/47/06/599484706.db2.gz JZZLUWJWDDFJBD-INIZCTEOSA-N -1 3 392.507 3.855 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227472 599484709 /nfs/dbraw/zinc/48/47/09/599484709.db2.gz JZZLUWJWDDFJBD-INIZCTEOSA-N -1 3 392.507 3.855 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227473 599484996 /nfs/dbraw/zinc/48/49/96/599484996.db2.gz JZZLUWJWDDFJBD-MRXNPFEDSA-N -1 3 392.507 3.855 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227473 599484998 /nfs/dbraw/zinc/48/49/98/599484998.db2.gz JZZLUWJWDDFJBD-MRXNPFEDSA-N -1 3 392.507 3.855 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112832 599492688 /nfs/dbraw/zinc/49/26/88/599492688.db2.gz VFMNCGZYCHQHFB-DEYYWGMASA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112832 599492690 /nfs/dbraw/zinc/49/26/90/599492690.db2.gz VFMNCGZYCHQHFB-DEYYWGMASA-N -1 3 394.454 3.654 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000735905992 599501196 /nfs/dbraw/zinc/50/11/96/599501196.db2.gz OWYAMJHCMBGKRQ-UHFFFAOYSA-N -1 3 398.442 3.850 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000735905992 599501198 /nfs/dbraw/zinc/50/11/98/599501198.db2.gz OWYAMJHCMBGKRQ-UHFFFAOYSA-N -1 3 398.442 3.850 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736056530 599503823 /nfs/dbraw/zinc/50/38/23/599503823.db2.gz OLPXMHQDBMYVSQ-NSHDSACASA-N -1 3 388.834 3.754 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736056530 599503825 /nfs/dbraw/zinc/50/38/25/599503825.db2.gz OLPXMHQDBMYVSQ-NSHDSACASA-N -1 3 388.834 3.754 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737176655 599504148 /nfs/dbraw/zinc/50/41/48/599504148.db2.gz OZSFHPIBIAKDLL-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737176655 599504150 /nfs/dbraw/zinc/50/41/50/599504150.db2.gz OZSFHPIBIAKDLL-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424590 599507762 /nfs/dbraw/zinc/50/77/62/599507762.db2.gz XITYBWFYRQCGOM-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424590 599507763 /nfs/dbraw/zinc/50/77/63/599507763.db2.gz XITYBWFYRQCGOM-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822231977 599510772 /nfs/dbraw/zinc/51/07/72/599510772.db2.gz OXQBTEYSEFPIIK-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822231977 599510775 /nfs/dbraw/zinc/51/07/75/599510775.db2.gz OXQBTEYSEFPIIK-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820683575 599512615 /nfs/dbraw/zinc/51/26/15/599512615.db2.gz DBWLZFCMKYBWAQ-RGCFKVTRSA-N -1 3 385.512 3.521 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820683575 599512616 /nfs/dbraw/zinc/51/26/16/599512616.db2.gz DBWLZFCMKYBWAQ-RGCFKVTRSA-N -1 3 385.512 3.521 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391936 599514264 /nfs/dbraw/zinc/51/42/64/599514264.db2.gz SAMJZDBNNLJERR-CYBMUJFWSA-N -1 3 390.422 3.502 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391936 599514266 /nfs/dbraw/zinc/51/42/66/599514266.db2.gz SAMJZDBNNLJERR-CYBMUJFWSA-N -1 3 390.422 3.502 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536925 599519613 /nfs/dbraw/zinc/51/96/13/599519613.db2.gz YWJQDCPQSMLVFV-GJZGRUSLSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536925 599519616 /nfs/dbraw/zinc/51/96/16/599519616.db2.gz YWJQDCPQSMLVFV-GJZGRUSLSA-N -1 3 393.491 3.809 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822778245 599522924 /nfs/dbraw/zinc/52/29/24/599522924.db2.gz GMVPWLYDIHIOIJ-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822778245 599522926 /nfs/dbraw/zinc/52/29/26/599522926.db2.gz GMVPWLYDIHIOIJ-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822422774 599525554 /nfs/dbraw/zinc/52/55/54/599525554.db2.gz CLWQPUHYUCZFIO-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822422774 599525556 /nfs/dbraw/zinc/52/55/56/599525556.db2.gz CLWQPUHYUCZFIO-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397864 599528609 /nfs/dbraw/zinc/52/86/09/599528609.db2.gz VPSPMFXMNGIOPD-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397864 599528610 /nfs/dbraw/zinc/52/86/10/599528610.db2.gz VPSPMFXMNGIOPD-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821970396 599529565 /nfs/dbraw/zinc/52/95/65/599529565.db2.gz NGOYQUDMWUKUAJ-LBPRGKRZSA-N -1 3 393.472 3.967 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821970396 599529568 /nfs/dbraw/zinc/52/95/68/599529568.db2.gz NGOYQUDMWUKUAJ-LBPRGKRZSA-N -1 3 393.472 3.967 20 0 GHADHM CC(C)c1ccc(SCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192723 599540782 /nfs/dbraw/zinc/54/07/82/599540782.db2.gz WOOJFGVIBXGTQK-AWEZNQCLSA-N -1 3 381.505 3.960 20 0 GHADHM CC(C)c1ccc(SCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192723 599540783 /nfs/dbraw/zinc/54/07/83/599540783.db2.gz WOOJFGVIBXGTQK-AWEZNQCLSA-N -1 3 381.505 3.960 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820386134 599541836 /nfs/dbraw/zinc/54/18/36/599541836.db2.gz WBTPGQQRBHPLLH-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820386134 599541840 /nfs/dbraw/zinc/54/18/40/599541840.db2.gz WBTPGQQRBHPLLH-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM CCCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000821127526 599546832 /nfs/dbraw/zinc/54/68/32/599546832.db2.gz HUXLLCVNCJWJFD-AWEZNQCLSA-N -1 3 386.887 3.854 20 0 GHADHM CCCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821127526 599546834 /nfs/dbraw/zinc/54/68/34/599546834.db2.gz HUXLLCVNCJWJFD-AWEZNQCLSA-N -1 3 386.887 3.854 20 0 GHADHM Cc1occc1CN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737555972 599565419 /nfs/dbraw/zinc/56/54/19/599565419.db2.gz CASIORMEABNZEX-UHFFFAOYSA-N -1 3 388.431 3.784 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736057590 599606637 /nfs/dbraw/zinc/60/66/37/599606637.db2.gz XFZLZRULNWNABR-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736057590 599606638 /nfs/dbraw/zinc/60/66/38/599606638.db2.gz XFZLZRULNWNABR-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(F)(F)F ZINC000820512757 599628025 /nfs/dbraw/zinc/62/80/25/599628025.db2.gz OIFUZGIQIUNELG-SNVBAGLBSA-N -1 3 378.310 3.767 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000820512757 599628026 /nfs/dbraw/zinc/62/80/26/599628026.db2.gz OIFUZGIQIUNELG-SNVBAGLBSA-N -1 3 378.310 3.767 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000821100115 599629476 /nfs/dbraw/zinc/62/94/76/599629476.db2.gz UDRFYTNOTBCYFI-UXPWSPDFSA-N -1 3 399.539 3.979 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000821100115 599629477 /nfs/dbraw/zinc/62/94/77/599629477.db2.gz UDRFYTNOTBCYFI-UXPWSPDFSA-N -1 3 399.539 3.979 20 0 GHADHM CCCc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821143355 599632730 /nfs/dbraw/zinc/63/27/30/599632730.db2.gz SKCFGAWMOPLHES-UHFFFAOYSA-N -1 3 382.371 3.547 20 0 GHADHM CCCc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821143355 599632731 /nfs/dbraw/zinc/63/27/31/599632731.db2.gz SKCFGAWMOPLHES-UHFFFAOYSA-N -1 3 382.371 3.547 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)cc2n1 ZINC000822284309 599634991 /nfs/dbraw/zinc/63/49/91/599634991.db2.gz OCAQAOIQSOEJJX-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)cc2n1 ZINC000822284309 599634992 /nfs/dbraw/zinc/63/49/92/599634992.db2.gz OCAQAOIQSOEJJX-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM CC(C)c1ccc([C@@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000820192389 599635183 /nfs/dbraw/zinc/63/51/83/599635183.db2.gz MAAJDDFZGOHRSJ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc([C@@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000820192389 599635184 /nfs/dbraw/zinc/63/51/84/599635184.db2.gz MAAJDDFZGOHRSJ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)(C)[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000819899231 599636421 /nfs/dbraw/zinc/63/64/21/599636421.db2.gz PVBBPEZCYBKGAR-GOSISDBHSA-N -1 3 389.463 3.794 20 0 GHADHM CC(C)(C)[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000819899231 599636422 /nfs/dbraw/zinc/63/64/22/599636422.db2.gz PVBBPEZCYBKGAR-GOSISDBHSA-N -1 3 389.463 3.794 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819884563 599665584 /nfs/dbraw/zinc/66/55/84/599665584.db2.gz XEEAHPCQFSPIIA-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819884563 599665585 /nfs/dbraw/zinc/66/55/85/599665585.db2.gz XEEAHPCQFSPIIA-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820716727 599670782 /nfs/dbraw/zinc/67/07/82/599670782.db2.gz KPUHSPXPFWDKIF-JKIFEVAISA-N -1 3 380.452 3.704 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820716727 599670783 /nfs/dbraw/zinc/67/07/83/599670783.db2.gz KPUHSPXPFWDKIF-JKIFEVAISA-N -1 3 380.452 3.704 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820349368 599673619 /nfs/dbraw/zinc/67/36/19/599673619.db2.gz HTCQOGNSVKKYRS-ZDUSSCGKSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820349368 599673620 /nfs/dbraw/zinc/67/36/20/599673620.db2.gz HTCQOGNSVKKYRS-ZDUSSCGKSA-N -1 3 398.898 3.902 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822233158 599675327 /nfs/dbraw/zinc/67/53/27/599675327.db2.gz ITWGMEOJPBJGJK-YVEFUNNKSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822233158 599675328 /nfs/dbraw/zinc/67/53/28/599675328.db2.gz ITWGMEOJPBJGJK-YVEFUNNKSA-N -1 3 398.442 3.590 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000820117106 599677849 /nfs/dbraw/zinc/67/78/49/599677849.db2.gz VFFZLIWPXMMRIS-YTQUADARSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000820117106 599677850 /nfs/dbraw/zinc/67/78/50/599677850.db2.gz VFFZLIWPXMMRIS-YTQUADARSA-N -1 3 382.512 3.756 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820875837 599678378 /nfs/dbraw/zinc/67/83/78/599678378.db2.gz GXPLQRDKNBHLRN-AWEZNQCLSA-N -1 3 382.443 3.516 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820875837 599678379 /nfs/dbraw/zinc/67/83/79/599678379.db2.gz GXPLQRDKNBHLRN-AWEZNQCLSA-N -1 3 382.443 3.516 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823309422 599690123 /nfs/dbraw/zinc/69/01/23/599690123.db2.gz YRUOGILDORNERI-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823309422 599690124 /nfs/dbraw/zinc/69/01/24/599690124.db2.gz YRUOGILDORNERI-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000819865005 599697701 /nfs/dbraw/zinc/69/77/01/599697701.db2.gz BSXBWFPQBMROKH-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000819865005 599697702 /nfs/dbraw/zinc/69/77/02/599697702.db2.gz BSXBWFPQBMROKH-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000826252665 607388166 /nfs/dbraw/zinc/38/81/66/607388166.db2.gz NHEQTXRPFLBHIB-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000826252665 607388168 /nfs/dbraw/zinc/38/81/68/607388168.db2.gz NHEQTXRPFLBHIB-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559345 599713104 /nfs/dbraw/zinc/71/31/04/599713104.db2.gz BRFYLDYSOXYOSL-YUTCNCBUSA-N -1 3 399.472 3.875 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559345 599713105 /nfs/dbraw/zinc/71/31/05/599713105.db2.gz BRFYLDYSOXYOSL-YUTCNCBUSA-N -1 3 399.472 3.875 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000740006909 599717126 /nfs/dbraw/zinc/71/71/26/599717126.db2.gz YDYQDKABTWYROH-MRXNPFEDSA-N -1 3 386.427 3.702 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824137091 607390715 /nfs/dbraw/zinc/39/07/15/607390715.db2.gz WVROLVUAYKTLRP-UHFFFAOYSA-N -1 3 376.464 3.975 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824137091 607390717 /nfs/dbraw/zinc/39/07/17/607390717.db2.gz WVROLVUAYKTLRP-UHFFFAOYSA-N -1 3 376.464 3.975 20 0 GHADHM C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662942 599792809 /nfs/dbraw/zinc/79/28/09/599792809.db2.gz VMWDPSCGMIHCPE-JLTOFOAXSA-N -1 3 384.451 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1-c1nnn[n-]1 ZINC000820169218 607397448 /nfs/dbraw/zinc/39/74/48/607397448.db2.gz IJVMPVHRQUZRGC-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1-c1nn[n-]n1 ZINC000820169218 607397450 /nfs/dbraw/zinc/39/74/50/607397450.db2.gz IJVMPVHRQUZRGC-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CSc1ccc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821976650 607399763 /nfs/dbraw/zinc/39/97/63/607399763.db2.gz CJMJIEWZOPVBKO-UHFFFAOYSA-N -1 3 383.477 3.937 20 0 GHADHM CSc1ccc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821976650 607399765 /nfs/dbraw/zinc/39/97/65/607399765.db2.gz CJMJIEWZOPVBKO-UHFFFAOYSA-N -1 3 383.477 3.937 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000826251667 607400014 /nfs/dbraw/zinc/40/00/14/607400014.db2.gz XHYLUTAZEYVYAS-LJQANCHMSA-N -1 3 389.390 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000826251667 607400015 /nfs/dbraw/zinc/40/00/15/607400015.db2.gz XHYLUTAZEYVYAS-LJQANCHMSA-N -1 3 389.390 3.656 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC000820173590 607401941 /nfs/dbraw/zinc/40/19/41/607401941.db2.gz IYHNEXGPXHKJKS-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC000820173590 607401942 /nfs/dbraw/zinc/40/19/42/607401942.db2.gz IYHNEXGPXHKJKS-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(C)n1C(C)C ZINC000822176027 607402417 /nfs/dbraw/zinc/40/24/17/607402417.db2.gz DUKVPYNFSGAWBP-UHFFFAOYSA-N -1 3 382.468 3.905 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(C)n1C(C)C ZINC000822176027 607402418 /nfs/dbraw/zinc/40/24/18/607402418.db2.gz DUKVPYNFSGAWBP-UHFFFAOYSA-N -1 3 382.468 3.905 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C ZINC000826251093 607402484 /nfs/dbraw/zinc/40/24/84/607402484.db2.gz DZHCAPAQRBJCMD-NSHDSACASA-N -1 3 396.838 3.633 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C ZINC000826251093 607402486 /nfs/dbraw/zinc/40/24/86/607402486.db2.gz DZHCAPAQRBJCMD-NSHDSACASA-N -1 3 396.838 3.633 20 0 GHADHM CS[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821944049 607402674 /nfs/dbraw/zinc/40/26/74/607402674.db2.gz ZOOXQTVRZVMBQH-KRWDZBQOSA-N -1 3 383.477 3.697 20 0 GHADHM CS[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821944049 607402676 /nfs/dbraw/zinc/40/26/76/607402676.db2.gz ZOOXQTVRZVMBQH-KRWDZBQOSA-N -1 3 383.477 3.697 20 0 GHADHM COc1cc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)ccc1OC(F)F ZINC000516872691 599878292 /nfs/dbraw/zinc/87/82/92/599878292.db2.gz LDVOBKNXOSUIPL-UHFFFAOYSA-N -1 3 387.329 3.662 20 0 GHADHM O=C([O-])Nc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000740032568 599910699 /nfs/dbraw/zinc/91/06/99/599910699.db2.gz BPKUMLIUYSPXPG-UHFFFAOYSA-N -1 3 385.489 3.620 20 0 GHADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000738437884 600013450 /nfs/dbraw/zinc/01/34/50/600013450.db2.gz KLKYRXFUVYBZOP-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000738436987 600013484 /nfs/dbraw/zinc/01/34/84/600013484.db2.gz AHNVNHXDZJKPRL-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM Cc1cc(NC(=O)N(CCCc2ccccc2)CCN(C)C)ccc1C(=O)[O-] ZINC000738437017 600014894 /nfs/dbraw/zinc/01/48/94/600014894.db2.gz AYJRVTUXZICSEK-UHFFFAOYSA-N -1 3 383.492 3.722 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(-c2cccs2)n1 ZINC000826254384 607413713 /nfs/dbraw/zinc/41/37/13/607413713.db2.gz IRYUNDSLXZEDET-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(-c2cccs2)n1 ZINC000826254384 607413714 /nfs/dbraw/zinc/41/37/14/607413714.db2.gz IRYUNDSLXZEDET-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2c(cccc2F)s1 ZINC000826428036 607424722 /nfs/dbraw/zinc/42/47/22/607424722.db2.gz MDSFJOPVOVWATP-UHFFFAOYSA-N -1 3 379.420 3.640 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2c(cccc2F)s1 ZINC000826428036 607424723 /nfs/dbraw/zinc/42/47/23/607424723.db2.gz MDSFJOPVOVWATP-UHFFFAOYSA-N -1 3 379.420 3.640 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000740025755 600145838 /nfs/dbraw/zinc/14/58/38/600145838.db2.gz WIGGJNTWUJZGLP-LJQANCHMSA-N -1 3 381.476 3.662 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1-c1nnn[n-]1 ZINC000820164151 607425447 /nfs/dbraw/zinc/42/54/47/607425447.db2.gz FPIAYUWARIUXPY-CKEIUWERSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000820164151 607425449 /nfs/dbraw/zinc/42/54/49/607425449.db2.gz FPIAYUWARIUXPY-CKEIUWERSA-N -1 3 384.484 3.839 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826316391 607432952 /nfs/dbraw/zinc/43/29/52/607432952.db2.gz MSAWEKAHFRHSLT-NWDGAFQWSA-N -1 3 393.394 3.998 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826316391 607432954 /nfs/dbraw/zinc/43/29/54/607432954.db2.gz MSAWEKAHFRHSLT-NWDGAFQWSA-N -1 3 393.394 3.998 20 0 GHADHM O=C([O-])c1cc(Cl)cc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000739416302 600282944 /nfs/dbraw/zinc/28/29/44/600282944.db2.gz BAXYSGYJJBKTFQ-UHFFFAOYSA-N -1 3 387.867 3.608 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000738562272 600350836 /nfs/dbraw/zinc/35/08/36/600350836.db2.gz UFHKLHKUBQTGLO-FQEVSTJZSA-N -1 3 396.491 3.721 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccsc1 ZINC000737085222 600354220 /nfs/dbraw/zinc/35/42/20/600354220.db2.gz IJZWKCKAZYGCPB-KRWDZBQOSA-N -1 3 390.509 3.720 20 0 GHADHM Cc1ccc(NC(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)nc1 ZINC000738615897 600398570 /nfs/dbraw/zinc/39/85/70/600398570.db2.gz MBRQKJXHRWUZFR-GOSISDBHSA-N -1 3 387.867 3.520 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824071985 607451094 /nfs/dbraw/zinc/45/10/94/607451094.db2.gz PQNAGSXVDOPBFI-GOSISDBHSA-N -1 3 390.491 3.942 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824071985 607451096 /nfs/dbraw/zinc/45/10/96/607451096.db2.gz PQNAGSXVDOPBFI-GOSISDBHSA-N -1 3 390.491 3.942 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C(=O)[O-])c3cccc(Cl)c3)ccc2NC1=O ZINC000829170375 600695083 /nfs/dbraw/zinc/69/50/83/600695083.db2.gz PGELXRQJPXCKOU-SDDDUWNISA-N -1 3 388.851 3.926 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3cccc(Cl)c3)ccc2NC1=O ZINC000829170373 600695213 /nfs/dbraw/zinc/69/52/13/600695213.db2.gz PGELXRQJPXCKOU-DPZKZMLUSA-N -1 3 388.851 3.926 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cscn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826268996 607465303 /nfs/dbraw/zinc/46/53/03/607465303.db2.gz XACUMROIFHLEJQ-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cscn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826268996 607465305 /nfs/dbraw/zinc/46/53/05/607465305.db2.gz XACUMROIFHLEJQ-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM COC(=O)c1ccc(OCCN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000831440143 600747568 /nfs/dbraw/zinc/74/75/68/600747568.db2.gz QXSDIQGJPQSJED-MRXNPFEDSA-N -1 3 398.242 3.574 20 0 GHADHM O[C@@H](C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673108 607468828 /nfs/dbraw/zinc/46/88/28/607468828.db2.gz IGRUIKPJKDRKBL-KSSFIOAISA-N -1 3 387.846 3.752 20 0 GHADHM O[C@@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673108 607468830 /nfs/dbraw/zinc/46/88/30/607468830.db2.gz IGRUIKPJKDRKBL-KSSFIOAISA-N -1 3 387.846 3.752 20 0 GHADHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)cc2)c(SC)cc1OC ZINC000737881805 600795422 /nfs/dbraw/zinc/79/54/22/600795422.db2.gz RVRBDALAMKHYHB-GOSISDBHSA-N -1 3 379.453 3.823 20 0 GHADHM Cc1oc(NC(=O)CN(c2ccc(F)cc2)C2CCCC2)c(-c2nnn[n-]2)c1C ZINC000826341775 607471485 /nfs/dbraw/zinc/47/14/85/607471485.db2.gz PRHXFYOWJDBFBD-UHFFFAOYSA-N -1 3 398.442 3.603 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000832914750 600867332 /nfs/dbraw/zinc/86/73/32/600867332.db2.gz BBYGSKALGASABQ-IBGZPJMESA-N -1 3 381.476 3.822 20 0 GHADHM Cc1ccc(C[C@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccn2)cc1 ZINC000822234665 607482697 /nfs/dbraw/zinc/48/26/97/607482697.db2.gz CYHTUILOJWGWHS-NRFANRHFSA-N -1 3 388.450 3.783 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC(F)F)c2ncccc12 ZINC000822743878 607489333 /nfs/dbraw/zinc/48/93/33/607489333.db2.gz HSCSBEUEEHOPSD-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC(F)F)c2ncccc12 ZINC000822743878 607489335 /nfs/dbraw/zinc/48/93/35/607489335.db2.gz HSCSBEUEEHOPSD-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM Cc1ccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000832946676 601145402 /nfs/dbraw/zinc/14/54/02/601145402.db2.gz YMJGURGKKBIASF-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294575 607497949 /nfs/dbraw/zinc/49/79/49/607497949.db2.gz UXKZIPBISRBCGW-LSDHHAIUSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294575 607497951 /nfs/dbraw/zinc/49/79/51/607497951.db2.gz UXKZIPBISRBCGW-LSDHHAIUSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820294499 607500253 /nfs/dbraw/zinc/50/02/53/607500253.db2.gz UAIOHZYQIGRSSG-CYBMUJFWSA-N -1 3 385.468 3.538 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820294499 607500255 /nfs/dbraw/zinc/50/02/55/607500255.db2.gz UAIOHZYQIGRSSG-CYBMUJFWSA-N -1 3 385.468 3.538 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CC1 ZINC000821686389 607500765 /nfs/dbraw/zinc/50/07/65/607500765.db2.gz NJRZIEPPGKDNLO-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CC1 ZINC000821686389 607500766 /nfs/dbraw/zinc/50/07/66/607500766.db2.gz NJRZIEPPGKDNLO-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000830362521 601417952 /nfs/dbraw/zinc/41/79/52/601417952.db2.gz BDOHAKINIMXZKF-SFHVURJKSA-N -1 3 376.497 3.543 20 0 GHADHM O=C([O-])[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)cc1Cl ZINC000833167706 601499039 /nfs/dbraw/zinc/49/90/39/601499039.db2.gz PBIROPSRNCTXIH-XHDPSFHLSA-N -1 3 384.238 3.522 20 0 GHADHM C[C@@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1C(=O)[O-] ZINC000828465956 601516979 /nfs/dbraw/zinc/51/69/79/601516979.db2.gz ZFHCVFTXQGYKIC-QMTHXVAHSA-N -1 3 381.295 3.725 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000833032504 601629692 /nfs/dbraw/zinc/62/96/92/601629692.db2.gz IFAWCWVHBNKZIV-UHFFFAOYSA-N -1 3 382.526 3.834 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccccc2Br)o1 ZINC000828804736 601634718 /nfs/dbraw/zinc/63/47/18/601634718.db2.gz RJOGMIOVRMKIHS-UHFFFAOYSA-N -1 3 382.258 3.622 20 0 GHADHM CC[C@H](NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000828939200 601651803 /nfs/dbraw/zinc/65/18/03/601651803.db2.gz AASUGJDORDOUFH-DCPHZVHLSA-N -1 3 388.895 3.959 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000826693599 601652670 /nfs/dbraw/zinc/65/26/70/601652670.db2.gz IOZVPNYAQTYQLX-NQERJWCQSA-N -1 3 386.467 3.691 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000826044995 601652810 /nfs/dbraw/zinc/65/28/10/601652810.db2.gz NZUSRMBQBPASPS-YRVVQQKDSA-N -1 3 390.430 3.536 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000830609025 601724277 /nfs/dbraw/zinc/72/42/77/601724277.db2.gz QNXOIWAKGBHCCK-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM FC(F)(F)c1ccccc1C1=CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826368760 607524831 /nfs/dbraw/zinc/52/48/31/607524831.db2.gz ALAOBLUCKPFGPH-UHFFFAOYSA-N -1 3 386.381 3.570 20 0 GHADHM C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000827741862 601852203 /nfs/dbraw/zinc/85/22/03/601852203.db2.gz VGXDMUWFFLKBTR-MRXNPFEDSA-N -1 3 397.496 3.690 20 0 GHADHM CCN(C(=O)c1cnn(CCC(C)C)c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390418 607532050 /nfs/dbraw/zinc/53/20/50/607532050.db2.gz DLCDTKCRABJRKI-HNNXBMFYSA-N -1 3 395.511 3.641 20 0 GHADHM CCN(C(=O)c1cnn(CCC(C)C)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390418 607532051 /nfs/dbraw/zinc/53/20/51/607532051.db2.gz DLCDTKCRABJRKI-HNNXBMFYSA-N -1 3 395.511 3.641 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@@](C)(C(=O)[O-])C3)cs2)cc1OC ZINC000263206187 601911978 /nfs/dbraw/zinc/91/19/78/601911978.db2.gz VXNTXGIFWYLRJX-LJQANCHMSA-N -1 3 376.478 3.514 20 0 GHADHM CNC(=O)c1ccc(CN(C)[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000831010764 602033315 /nfs/dbraw/zinc/03/33/15/602033315.db2.gz CVBYCSPVWYTQTM-INIZCTEOSA-N -1 3 381.259 3.611 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000829667036 602378652 /nfs/dbraw/zinc/37/86/52/602378652.db2.gz ZOQAMGRKIXMXPQ-INIZCTEOSA-N -1 3 379.457 3.790 20 0 GHADHM Cc1cccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826304732 607572329 /nfs/dbraw/zinc/57/23/29/607572329.db2.gz WIPRSUTUBBKZBT-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825159263 607577814 /nfs/dbraw/zinc/57/78/14/607577814.db2.gz MHIAYFLIHMTGSZ-MRXNPFEDSA-N -1 3 387.440 3.878 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825159263 607577817 /nfs/dbraw/zinc/57/78/17/607577817.db2.gz MHIAYFLIHMTGSZ-MRXNPFEDSA-N -1 3 387.440 3.878 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825158901 607578070 /nfs/dbraw/zinc/57/80/70/607578070.db2.gz DMNYFYAMLXMRFE-QGZVFWFLSA-N -1 3 383.477 3.526 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825158901 607578072 /nfs/dbraw/zinc/57/80/72/607578072.db2.gz DMNYFYAMLXMRFE-QGZVFWFLSA-N -1 3 383.477 3.526 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736815769 602920749 /nfs/dbraw/zinc/92/07/49/602920749.db2.gz XFCGFERCDQHWAV-MRXNPFEDSA-N -1 3 382.464 3.905 20 0 GHADHM CCN(Cc1ccccc1NC(=O)N1CCN(CCC(C)(C)C)CC1)C(=O)[O-] ZINC000739449271 603351798 /nfs/dbraw/zinc/35/17/98/603351798.db2.gz VTPQLKKHQXOZOU-UHFFFAOYSA-N -1 3 390.528 3.772 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059739 607664127 /nfs/dbraw/zinc/66/41/27/607664127.db2.gz JNJBQPWXTDNGDL-SGTLLEGYSA-N -1 3 389.463 3.569 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059739 607664129 /nfs/dbraw/zinc/66/41/29/607664129.db2.gz JNJBQPWXTDNGDL-SGTLLEGYSA-N -1 3 389.463 3.569 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000826218706 607686205 /nfs/dbraw/zinc/68/62/05/607686205.db2.gz JAOZMCQOWDCBIX-OAQYLSRUSA-N -1 3 399.454 3.703 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000826218706 607686207 /nfs/dbraw/zinc/68/62/07/607686207.db2.gz JAOZMCQOWDCBIX-OAQYLSRUSA-N -1 3 399.454 3.703 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000826103143 604390801 /nfs/dbraw/zinc/39/08/01/604390801.db2.gz NLTWFYPIUZVZKM-HXUWFJFHSA-N -1 3 380.488 3.864 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000825958431 607693825 /nfs/dbraw/zinc/69/38/25/607693825.db2.gz WFBAMBHNQUMTLW-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000825958431 607693828 /nfs/dbraw/zinc/69/38/28/607693828.db2.gz WFBAMBHNQUMTLW-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM O=C([O-])c1csc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000833341995 604499205 /nfs/dbraw/zinc/49/92/05/604499205.db2.gz CCBKVHKKCCSUBQ-UHFFFAOYSA-N -1 3 387.505 3.619 20 0 GHADHM COc1ccc([C@H]2CCCN2Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000833731697 604527002 /nfs/dbraw/zinc/52/70/02/604527002.db2.gz CLYJXZFXJDYZPB-DNVCBOLYSA-N -1 3 385.460 3.893 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cccc(CN3CCC4(C[C@H]4C(=O)[O-])CC3)c21 ZINC000833437209 604649504 /nfs/dbraw/zinc/64/95/04/604649504.db2.gz FDGRCXMFSZPYKC-KRWDZBQOSA-N -1 3 386.492 3.671 20 0 GHADHM Cc1cccc(C2(O)CCN(Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2)c1C ZINC000833752329 604663199 /nfs/dbraw/zinc/66/31/99/604663199.db2.gz HDPDXUBGQUWUMZ-GOSISDBHSA-N -1 3 383.488 3.639 20 0 GHADHM CC(C)N1CCN(c2cccc(Nc3nc(Cl)c(C(=O)[O-])s3)c2)CC1 ZINC000833500403 604835081 /nfs/dbraw/zinc/83/50/81/604835081.db2.gz XOTZJEUYLATXPS-UHFFFAOYSA-N -1 3 380.901 3.769 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c(C)c2)c1 ZINC000826298561 607727339 /nfs/dbraw/zinc/72/73/39/607727339.db2.gz YOAVUYMZFAASQD-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c(C)c2)c1 ZINC000826298561 607727341 /nfs/dbraw/zinc/72/73/41/607727341.db2.gz YOAVUYMZFAASQD-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393594 607732878 /nfs/dbraw/zinc/73/28/78/607732878.db2.gz TXTKEIUSPRDUOC-TVQRCGJNSA-N -1 3 383.399 3.871 20 0 GHADHM CCCN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825322648 607737167 /nfs/dbraw/zinc/73/71/67/607737167.db2.gz HNNPROMOCPKOSQ-UHFFFAOYSA-N -1 3 382.415 3.754 20 0 GHADHM CCCN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825322648 607737168 /nfs/dbraw/zinc/73/71/68/607737168.db2.gz HNNPROMOCPKOSQ-UHFFFAOYSA-N -1 3 382.415 3.754 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000833411736 605181983 /nfs/dbraw/zinc/18/19/83/605181983.db2.gz DKGFRRGNAUELFR-TZIWHRDSSA-N -1 3 380.488 3.622 20 0 GHADHM CC[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825082036 607745932 /nfs/dbraw/zinc/74/59/32/607745932.db2.gz PETKPFZFIFQXGR-CABCVRRESA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825082036 607745933 /nfs/dbraw/zinc/74/59/33/607745933.db2.gz PETKPFZFIFQXGR-CABCVRRESA-N -1 3 379.464 3.636 20 0 GHADHM CCCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916515 605474046 /nfs/dbraw/zinc/47/40/46/605474046.db2.gz MYOGVETXCWVCPY-UHFFFAOYSA-N -1 3 378.860 3.744 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2F)cc1-c1nnn[n-]1 ZINC000825539900 607757740 /nfs/dbraw/zinc/75/77/40/607757740.db2.gz RFUWOPMSEPPEFF-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2F)cc1-c1nn[n-]n1 ZINC000825539900 607757741 /nfs/dbraw/zinc/75/77/41/607757741.db2.gz RFUWOPMSEPPEFF-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(C)c2)cc1-c1nnn[n-]1 ZINC000825538228 607763430 /nfs/dbraw/zinc/76/34/30/607763430.db2.gz DEENJBUDJLJOER-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000825538228 607763431 /nfs/dbraw/zinc/76/34/31/607763431.db2.gz DEENJBUDJLJOER-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1F ZINC000826267953 607768793 /nfs/dbraw/zinc/76/87/93/607768793.db2.gz DKHCAKNUAGGFRW-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1F ZINC000826267953 607768794 /nfs/dbraw/zinc/76/87/94/607768794.db2.gz DKHCAKNUAGGFRW-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccsc1 ZINC000824052907 607770128 /nfs/dbraw/zinc/77/01/28/607770128.db2.gz SEDFZGCCQBRJEJ-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccsc1 ZINC000824052907 607770129 /nfs/dbraw/zinc/77/01/29/607770129.db2.gz SEDFZGCCQBRJEJ-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM Cc1ccc(-c2nc(CNc3nc4ccccc4cc3-c3nnn[n-]3)co2)cc1 ZINC000822214010 606099355 /nfs/dbraw/zinc/09/93/55/606099355.db2.gz LFARHINBEYDTBI-UHFFFAOYSA-N -1 3 383.415 3.990 20 0 GHADHM Cc1ccc(-c2nc(CNc3nc4ccccc4cc3-c3nn[n-]n3)co2)cc1 ZINC000822214010 606099358 /nfs/dbraw/zinc/09/93/58/606099358.db2.gz LFARHINBEYDTBI-UHFFFAOYSA-N -1 3 383.415 3.990 20 0 GHADHM Fc1ccccc1OC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000822796458 606105045 /nfs/dbraw/zinc/10/50/45/606105045.db2.gz RSCWCEJFSWGLOZ-KRWDZBQOSA-N -1 3 376.395 3.633 20 0 GHADHM Fc1ccccc1OC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000822796458 606105046 /nfs/dbraw/zinc/10/50/46/606105046.db2.gz RSCWCEJFSWGLOZ-KRWDZBQOSA-N -1 3 376.395 3.633 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822945616 606122122 /nfs/dbraw/zinc/12/21/22/606122122.db2.gz LNLPBAHGWBHAQB-GQCTYLIASA-N -1 3 383.452 3.988 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822945616 606122124 /nfs/dbraw/zinc/12/21/24/606122124.db2.gz LNLPBAHGWBHAQB-GQCTYLIASA-N -1 3 383.452 3.988 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000820321478 606123162 /nfs/dbraw/zinc/12/31/62/606123162.db2.gz GYYWZGDGCADRCJ-DLBZAZTESA-N -1 3 393.491 3.724 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000820321478 606123163 /nfs/dbraw/zinc/12/31/63/606123163.db2.gz GYYWZGDGCADRCJ-DLBZAZTESA-N -1 3 393.491 3.724 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000821731362 606125778 /nfs/dbraw/zinc/12/57/78/606125778.db2.gz BFEQUNGAUGZGHN-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000821731362 606125779 /nfs/dbraw/zinc/12/57/79/606125779.db2.gz BFEQUNGAUGZGHN-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2cccnc2)cc1 ZINC000820322065 606148869 /nfs/dbraw/zinc/14/88/69/606148869.db2.gz QHDGGNWTSPQIDS-BFFYNSAMSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2cccnc2)cc1 ZINC000820322065 606148871 /nfs/dbraw/zinc/14/88/71/606148871.db2.gz QHDGGNWTSPQIDS-BFFYNSAMSA-N -1 3 396.454 3.819 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822028243 606154846 /nfs/dbraw/zinc/15/48/46/606154846.db2.gz MODSFIZHIRIYSE-UHFFFAOYSA-N -1 3 394.479 3.541 20 0 GHADHM O=[S@@](Cc1csc(-c2ccccc2F)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614723 606181219 /nfs/dbraw/zinc/18/12/19/606181219.db2.gz ROINTHYHUVMVJI-HHHXNRCGSA-N -1 3 399.476 3.578 20 0 GHADHM O=[S@@](Cc1csc(-c2ccccc2F)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614723 606181221 /nfs/dbraw/zinc/18/12/21/606181221.db2.gz ROINTHYHUVMVJI-HHHXNRCGSA-N -1 3 399.476 3.578 20 0 GHADHM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397999 606184778 /nfs/dbraw/zinc/18/47/78/606184778.db2.gz YQBXPXQLIGNLFP-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397999 606184780 /nfs/dbraw/zinc/18/47/80/606184780.db2.gz YQBXPXQLIGNLFP-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2cccs2)on1 ZINC000821123739 606193032 /nfs/dbraw/zinc/19/30/32/606193032.db2.gz WYDOHAVTVRUVBD-UHFFFAOYSA-N -1 3 395.448 3.657 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CC[C@@H]1CCOC1 ZINC000822211651 606236329 /nfs/dbraw/zinc/23/63/29/606236329.db2.gz IXEWRMGFUDWKRK-OAHLLOKOSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CC[C@@H]1CCOC1 ZINC000822211651 606236331 /nfs/dbraw/zinc/23/63/31/606236331.db2.gz IXEWRMGFUDWKRK-OAHLLOKOSA-N -1 3 393.447 3.723 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCS1 ZINC000820744363 606269536 /nfs/dbraw/zinc/26/95/36/606269536.db2.gz YGJVDCSZTOOPIY-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCS1 ZINC000820744363 606269537 /nfs/dbraw/zinc/26/95/37/606269537.db2.gz YGJVDCSZTOOPIY-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822954761 606270636 /nfs/dbraw/zinc/27/06/36/606270636.db2.gz CAOYLFQGLBJERT-UHFFFAOYSA-N -1 3 396.451 3.967 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822954761 606270637 /nfs/dbraw/zinc/27/06/37/606270637.db2.gz CAOYLFQGLBJERT-UHFFFAOYSA-N -1 3 396.451 3.967 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC2CCCCC2)cc1 ZINC000823347397 606270830 /nfs/dbraw/zinc/27/08/30/606270830.db2.gz XDJWFXXOSBKSKP-UHFFFAOYSA-N -1 3 381.411 3.970 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC2CCCCC2)cc1 ZINC000823347397 606270832 /nfs/dbraw/zinc/27/08/32/606270832.db2.gz XDJWFXXOSBKSKP-UHFFFAOYSA-N -1 3 381.411 3.970 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000823460367 606321411 /nfs/dbraw/zinc/32/14/11/606321411.db2.gz NQDNXLYIONBDOS-UHFFFAOYSA-N -1 3 386.459 3.933 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000823460367 606321412 /nfs/dbraw/zinc/32/14/12/606321412.db2.gz NQDNXLYIONBDOS-UHFFFAOYSA-N -1 3 386.459 3.933 20 0 GHADHM CC[C@H](SCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820939280 606333823 /nfs/dbraw/zinc/33/38/23/606333823.db2.gz SIBIIPNRDGGLAH-KRWDZBQOSA-N -1 3 388.518 3.525 20 0 GHADHM CC[C@H](SCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820939280 606333825 /nfs/dbraw/zinc/33/38/25/606333825.db2.gz SIBIIPNRDGGLAH-KRWDZBQOSA-N -1 3 388.518 3.525 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821845621 606339622 /nfs/dbraw/zinc/33/96/22/606339622.db2.gz ISSVJCZBVYHPTE-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821845621 606339624 /nfs/dbraw/zinc/33/96/24/606339624.db2.gz ISSVJCZBVYHPTE-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM CCn1cc(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000821565536 606340862 /nfs/dbraw/zinc/34/08/62/606340862.db2.gz XRKVSBJUMHJOGY-AWEZNQCLSA-N -1 3 375.432 3.688 20 0 GHADHM CCn1cc(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000821565536 606340863 /nfs/dbraw/zinc/34/08/63/606340863.db2.gz XRKVSBJUMHJOGY-AWEZNQCLSA-N -1 3 375.432 3.688 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822225005 606345285 /nfs/dbraw/zinc/34/52/85/606345285.db2.gz JLWBFPPIMZTTAF-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822225005 606345287 /nfs/dbraw/zinc/34/52/87/606345287.db2.gz JLWBFPPIMZTTAF-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820666737 606349083 /nfs/dbraw/zinc/34/90/83/606349083.db2.gz JHBVGHXRHSPQBG-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820666737 606349084 /nfs/dbraw/zinc/34/90/84/606349084.db2.gz JHBVGHXRHSPQBG-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H](OC(=O)CSc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496497 606349196 /nfs/dbraw/zinc/34/91/96/606349196.db2.gz MGJPNYJYKYWWHG-LLVKDONJSA-N -1 3 397.485 3.873 20 0 GHADHM C[C@@H](OC(=O)CSc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496497 606349198 /nfs/dbraw/zinc/34/91/98/606349198.db2.gz MGJPNYJYKYWWHG-LLVKDONJSA-N -1 3 397.485 3.873 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502727 606351033 /nfs/dbraw/zinc/35/10/33/606351033.db2.gz UVNKYHGGDSAMMI-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502727 606351034 /nfs/dbraw/zinc/35/10/34/606351034.db2.gz UVNKYHGGDSAMMI-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820293209 606357200 /nfs/dbraw/zinc/35/72/00/606357200.db2.gz IOBABKVOYPZCDC-NSHDSACASA-N -1 3 388.834 3.754 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820293209 606357202 /nfs/dbraw/zinc/35/72/02/606357202.db2.gz IOBABKVOYPZCDC-NSHDSACASA-N -1 3 388.834 3.754 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cc(Cl)ccn1 ZINC000823453955 606361721 /nfs/dbraw/zinc/36/17/21/606361721.db2.gz GSCYRKJZSHHAPZ-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397976 606362250 /nfs/dbraw/zinc/36/22/50/606362250.db2.gz YEZRCMJWABKJHL-CYBMUJFWSA-N -1 3 375.388 3.743 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397976 606362252 /nfs/dbraw/zinc/36/22/52/606362252.db2.gz YEZRCMJWABKJHL-CYBMUJFWSA-N -1 3 375.388 3.743 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820939835 606371912 /nfs/dbraw/zinc/37/19/12/606371912.db2.gz YZTMZRFEPPHYCP-LBPRGKRZSA-N -1 3 391.884 3.995 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820939835 606371914 /nfs/dbraw/zinc/37/19/14/606371914.db2.gz YZTMZRFEPPHYCP-LBPRGKRZSA-N -1 3 391.884 3.995 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N[C@H]1CCCSC1 ZINC000823350335 606383483 /nfs/dbraw/zinc/38/34/83/606383483.db2.gz JRCGHSBQZULOIO-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N[C@H]1CCCSC1 ZINC000823350335 606383484 /nfs/dbraw/zinc/38/34/84/606383484.db2.gz JRCGHSBQZULOIO-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000820511669 606437228 /nfs/dbraw/zinc/43/72/28/606437228.db2.gz ASNFDKFOWXVCQM-RYUDHWBXSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000820511669 606437230 /nfs/dbraw/zinc/43/72/30/606437230.db2.gz ASNFDKFOWXVCQM-RYUDHWBXSA-N -1 3 379.445 3.825 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823257307 606440602 /nfs/dbraw/zinc/44/06/02/606440602.db2.gz HVOVDUCVRZYVRR-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823257307 606440604 /nfs/dbraw/zinc/44/06/04/606440604.db2.gz HVOVDUCVRZYVRR-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(Oc1ccc(Cl)cc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823454004 606462153 /nfs/dbraw/zinc/46/21/53/606462153.db2.gz IICXJEDRMOJQJR-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM O=C(Oc1ccc(Cl)cc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823454004 606462156 /nfs/dbraw/zinc/46/21/56/606462156.db2.gz IICXJEDRMOJQJR-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM COC(=O)[C@H](Nc1ccc(COC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645346 606472412 /nfs/dbraw/zinc/47/24/12/606472412.db2.gz XJWYNRONDOKCBS-GOSISDBHSA-N -1 3 395.463 3.508 20 0 GHADHM COC(=O)[C@H](Nc1ccc(COC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645346 606472414 /nfs/dbraw/zinc/47/24/14/606472414.db2.gz XJWYNRONDOKCBS-GOSISDBHSA-N -1 3 395.463 3.508 20 0 GHADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376007 606479053 /nfs/dbraw/zinc/47/90/53/606479053.db2.gz UOBLVQLDTLSBDU-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376007 606479055 /nfs/dbraw/zinc/47/90/55/606479055.db2.gz UOBLVQLDTLSBDU-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820561945 606481817 /nfs/dbraw/zinc/48/18/17/606481817.db2.gz BXBMAAHGXWEFMK-SNVBAGLBSA-N -1 3 395.360 3.939 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)cs3)oc21 ZINC000821431020 606484936 /nfs/dbraw/zinc/48/49/36/606484936.db2.gz KAZOLXDWNCXQHA-SNVBAGLBSA-N -1 3 383.433 3.564 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)cs3)oc21 ZINC000821431020 606484938 /nfs/dbraw/zinc/48/49/38/606484938.db2.gz KAZOLXDWNCXQHA-SNVBAGLBSA-N -1 3 383.433 3.564 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821099774 606491875 /nfs/dbraw/zinc/49/18/75/606491875.db2.gz NQAMMXCXVYKOPU-UHFFFAOYSA-N -1 3 379.848 3.773 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821099774 606491876 /nfs/dbraw/zinc/49/18/76/606491876.db2.gz NQAMMXCXVYKOPU-UHFFFAOYSA-N -1 3 379.848 3.773 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820562951 606500889 /nfs/dbraw/zinc/50/08/89/606500889.db2.gz KGBKPTMYKYVOOO-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820562951 606500891 /nfs/dbraw/zinc/50/08/91/606500891.db2.gz KGBKPTMYKYVOOO-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819945699 606506832 /nfs/dbraw/zinc/50/68/32/606506832.db2.gz AISHYFMXEZWIOZ-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819945699 606506833 /nfs/dbraw/zinc/50/68/33/606506833.db2.gz AISHYFMXEZWIOZ-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000820548886 606516600 /nfs/dbraw/zinc/51/66/00/606516600.db2.gz HMKDERGCSJCWAJ-NSHDSACASA-N -1 3 397.822 3.512 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000820548886 606516601 /nfs/dbraw/zinc/51/66/01/606516601.db2.gz HMKDERGCSJCWAJ-NSHDSACASA-N -1 3 397.822 3.512 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000821100107 606524855 /nfs/dbraw/zinc/52/48/55/606524855.db2.gz UCUQRNSLGOVWRH-GQCTYLIASA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000821100107 606524856 /nfs/dbraw/zinc/52/48/56/606524856.db2.gz UCUQRNSLGOVWRH-GQCTYLIASA-N -1 3 379.439 3.848 20 0 GHADHM O=c1nc(SCc2cccc(-c3nnn[n-]3)c2)[nH]c2sc3c(c21)CCCC3 ZINC000823656437 606543662 /nfs/dbraw/zinc/54/36/62/606543662.db2.gz DJZWPAQUVQZYHG-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM O=c1nc(SCc2cccc(-c3nn[n-]n3)c2)[nH]c2sc3c(c21)CCCC3 ZINC000823656437 606543663 /nfs/dbraw/zinc/54/36/63/606543663.db2.gz DJZWPAQUVQZYHG-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM CCN(Cc1ccccn1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821230062 606548591 /nfs/dbraw/zinc/54/85/91/606548591.db2.gz AVRRZCRCINIAKO-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM CCN(Cc1ccccn1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821230062 606548593 /nfs/dbraw/zinc/54/85/93/606548593.db2.gz AVRRZCRCINIAKO-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(CC1CC1)c1ccccc1 ZINC000823060535 606549861 /nfs/dbraw/zinc/54/98/61/606549861.db2.gz GIPJBJVQXFEIMT-UHFFFAOYSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(CC1CC1)c1ccccc1 ZINC000823060535 606549862 /nfs/dbraw/zinc/54/98/62/606549862.db2.gz GIPJBJVQXFEIMT-UHFFFAOYSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823108286 606567355 /nfs/dbraw/zinc/56/73/55/606567355.db2.gz KZCQNPRPEPWHSL-MDZDMXLPSA-N -1 3 388.456 3.675 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823108286 606567356 /nfs/dbraw/zinc/56/73/56/606567356.db2.gz KZCQNPRPEPWHSL-MDZDMXLPSA-N -1 3 388.456 3.675 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823108283 606567674 /nfs/dbraw/zinc/56/76/74/606567674.db2.gz KZCQNPRPEPWHSL-KTKRTIGZSA-N -1 3 388.456 3.675 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823108283 606567675 /nfs/dbraw/zinc/56/76/75/606567675.db2.gz KZCQNPRPEPWHSL-KTKRTIGZSA-N -1 3 388.456 3.675 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664978 606574044 /nfs/dbraw/zinc/57/40/44/606574044.db2.gz DADWLTYQFHTOEU-LWLIDHTLSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664978 606574046 /nfs/dbraw/zinc/57/40/46/606574046.db2.gz DADWLTYQFHTOEU-LWLIDHTLSA-N -1 3 381.867 3.576 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823343878 606579892 /nfs/dbraw/zinc/57/98/92/606579892.db2.gz JWTWYUKRYLTMST-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823343878 606579893 /nfs/dbraw/zinc/57/98/93/606579893.db2.gz JWTWYUKRYLTMST-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000822191559 606587832 /nfs/dbraw/zinc/58/78/32/606587832.db2.gz KEQBCAARMMKILG-OAHLLOKOSA-N -1 3 396.470 3.995 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000822191559 606587833 /nfs/dbraw/zinc/58/78/33/606587833.db2.gz KEQBCAARMMKILG-OAHLLOKOSA-N -1 3 396.470 3.995 20 0 GHADHM FC(F)COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822731393 606597057 /nfs/dbraw/zinc/59/70/57/606597057.db2.gz CQTPKBPXSSYPHS-UHFFFAOYSA-N -1 3 397.332 3.724 20 0 GHADHM FC(F)COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822731393 606597058 /nfs/dbraw/zinc/59/70/58/606597058.db2.gz CQTPKBPXSSYPHS-UHFFFAOYSA-N -1 3 397.332 3.724 20 0 GHADHM COc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821827573 606597134 /nfs/dbraw/zinc/59/71/34/606597134.db2.gz FVGGEYBXGYEGQV-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821827573 606597136 /nfs/dbraw/zinc/59/71/36/606597136.db2.gz FVGGEYBXGYEGQV-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CC(C)n1ccnc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820214447 606597714 /nfs/dbraw/zinc/59/77/14/606597714.db2.gz BTTOONNGIMOVCY-UHFFFAOYSA-N -1 3 380.424 3.679 20 0 GHADHM CC(C)n1ccnc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820214447 606597715 /nfs/dbraw/zinc/59/77/15/606597715.db2.gz BTTOONNGIMOVCY-UHFFFAOYSA-N -1 3 380.424 3.679 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1cccnc1Cl ZINC000822733323 606599400 /nfs/dbraw/zinc/59/94/00/606599400.db2.gz XXDKYPOQAKXUEW-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1cccnc1Cl ZINC000822733323 606599401 /nfs/dbraw/zinc/59/94/01/606599401.db2.gz XXDKYPOQAKXUEW-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1cc(C)sc1C ZINC000821406223 606602024 /nfs/dbraw/zinc/60/20/24/606602024.db2.gz CWSCTZZRQJNORN-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1cc(C)sc1C ZINC000821406223 606602026 /nfs/dbraw/zinc/60/20/26/606602026.db2.gz CWSCTZZRQJNORN-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM COc1cccc([C@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821859196 606602761 /nfs/dbraw/zinc/60/27/61/606602761.db2.gz MBBNFFKDLGCIIQ-MRXNPFEDSA-N -1 3 393.491 3.806 20 0 GHADHM COc1cccc([C@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821859196 606602762 /nfs/dbraw/zinc/60/27/62/606602762.db2.gz MBBNFFKDLGCIIQ-MRXNPFEDSA-N -1 3 393.491 3.806 20 0 GHADHM O=C(CCc1ccoc1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822982232 606604675 /nfs/dbraw/zinc/60/46/75/606604675.db2.gz COSTXDFOGWXTQJ-UHFFFAOYSA-N -1 3 376.372 3.790 20 0 GHADHM O=C(CCc1ccoc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822982232 606604676 /nfs/dbraw/zinc/60/46/76/606604676.db2.gz COSTXDFOGWXTQJ-UHFFFAOYSA-N -1 3 376.372 3.790 20 0 GHADHM Cc1ccc(/C=C/CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233309 606617724 /nfs/dbraw/zinc/61/77/24/606617724.db2.gz MANSOSMUOAAEJQ-SNAWJCMRSA-N -1 3 393.516 3.628 20 0 GHADHM Cc1ccc(/C=C/CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233309 606617726 /nfs/dbraw/zinc/61/77/26/606617726.db2.gz MANSOSMUOAAEJQ-SNAWJCMRSA-N -1 3 393.516 3.628 20 0 GHADHM C[C@@H](Sc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820556152 606626509 /nfs/dbraw/zinc/62/65/09/606626509.db2.gz SAQGURMOWWCKBD-SECBINFHSA-N -1 3 389.481 3.675 20 0 GHADHM C[C@@H](Sc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820556152 606626511 /nfs/dbraw/zinc/62/65/11/606626511.db2.gz SAQGURMOWWCKBD-SECBINFHSA-N -1 3 389.481 3.675 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cn1 ZINC000820556075 606628480 /nfs/dbraw/zinc/62/84/80/606628480.db2.gz RIFMYWCHCCIWHV-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cn1 ZINC000820556075 606628481 /nfs/dbraw/zinc/62/84/81/606628481.db2.gz RIFMYWCHCCIWHV-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM O=Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000823551621 606660395 /nfs/dbraw/zinc/66/03/95/606660395.db2.gz XQLUKPORFKVOBP-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM O=Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000823551621 606660396 /nfs/dbraw/zinc/66/03/96/606660396.db2.gz XQLUKPORFKVOBP-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820055602 606664040 /nfs/dbraw/zinc/66/40/40/606664040.db2.gz IQEJGNOLSWMCLZ-GFCCVEGCSA-N -1 3 377.514 3.587 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820055602 606664041 /nfs/dbraw/zinc/66/40/41/606664041.db2.gz IQEJGNOLSWMCLZ-GFCCVEGCSA-N -1 3 377.514 3.587 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822437329 606665485 /nfs/dbraw/zinc/66/54/85/606665485.db2.gz ZBVIFYQBEDSKCI-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822437329 606665486 /nfs/dbraw/zinc/66/54/86/606665486.db2.gz ZBVIFYQBEDSKCI-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822958845 606667284 /nfs/dbraw/zinc/66/72/84/606667284.db2.gz JWKKPMZNWVRBMB-UHFFFAOYSA-N -1 3 377.473 3.721 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822958845 606667285 /nfs/dbraw/zinc/66/72/85/606667285.db2.gz JWKKPMZNWVRBMB-UHFFFAOYSA-N -1 3 377.473 3.721 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821065669 606667620 /nfs/dbraw/zinc/66/76/20/606667620.db2.gz LLYXCANBSVSMEF-UHFFFAOYSA-N -1 3 389.381 3.727 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821065669 606667621 /nfs/dbraw/zinc/66/76/21/606667621.db2.gz LLYXCANBSVSMEF-UHFFFAOYSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2S1 ZINC000820716610 606668340 /nfs/dbraw/zinc/66/83/40/606668340.db2.gz JWBCGNLJYRBOBN-SNVBAGLBSA-N -1 3 387.415 3.676 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2S1 ZINC000820716610 606668341 /nfs/dbraw/zinc/66/83/41/606668341.db2.gz JWBCGNLJYRBOBN-SNVBAGLBSA-N -1 3 387.415 3.676 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1CCc2ccccc21 ZINC000821082814 606670489 /nfs/dbraw/zinc/67/04/89/606670489.db2.gz OXEZAYONAPFLHC-QGZVFWFLSA-N -1 3 383.402 3.685 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2ccccc21 ZINC000821082814 606670490 /nfs/dbraw/zinc/67/04/90/606670490.db2.gz OXEZAYONAPFLHC-QGZVFWFLSA-N -1 3 383.402 3.685 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820225819 606674229 /nfs/dbraw/zinc/67/42/29/606674229.db2.gz PYBVEJCQGSXSAA-LBPRGKRZSA-N -1 3 385.418 3.631 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820225819 606674230 /nfs/dbraw/zinc/67/42/30/606674230.db2.gz PYBVEJCQGSXSAA-LBPRGKRZSA-N -1 3 385.418 3.631 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233284 606682709 /nfs/dbraw/zinc/68/27/09/606682709.db2.gz LQMFBPADDGRWAQ-QAPCUYQASA-N -1 3 397.429 3.862 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233284 606682710 /nfs/dbraw/zinc/68/27/10/606682710.db2.gz LQMFBPADDGRWAQ-QAPCUYQASA-N -1 3 397.429 3.862 20 0 GHADHM CCCOc1cc(C)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821128034 606699170 /nfs/dbraw/zinc/69/91/70/606699170.db2.gz OZVHUVLAQUAGKM-UHFFFAOYSA-N -1 3 391.435 3.626 20 0 GHADHM CCCOc1cc(C)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821128034 606699172 /nfs/dbraw/zinc/69/91/72/606699172.db2.gz OZVHUVLAQUAGKM-UHFFFAOYSA-N -1 3 391.435 3.626 20 0 GHADHM Clc1cccc([C@H](NCc2cc(-c3nnn[n-]3)cs2)c2ccccn2)c1 ZINC000822585609 606742672 /nfs/dbraw/zinc/74/26/72/606742672.db2.gz HCKIJQDKPBXUHJ-KRWDZBQOSA-N -1 3 382.880 3.856 20 0 GHADHM Clc1cccc([C@H](NCc2cc(-c3nn[n-]n3)cs2)c2ccccn2)c1 ZINC000822585609 606742674 /nfs/dbraw/zinc/74/26/74/606742674.db2.gz HCKIJQDKPBXUHJ-KRWDZBQOSA-N -1 3 382.880 3.856 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCc1cccc(-c2ccccc2)c1 ZINC000822978633 606744308 /nfs/dbraw/zinc/74/43/08/606744308.db2.gz OTBHXZLOLDXHAK-UHFFFAOYSA-N -1 3 397.482 3.825 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCc1cccc(-c2ccccc2)c1 ZINC000822978633 606744310 /nfs/dbraw/zinc/74/43/10/606744310.db2.gz OTBHXZLOLDXHAK-UHFFFAOYSA-N -1 3 397.482 3.825 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1C[C@@H]2CCC[C@H]21 ZINC000823356810 606772938 /nfs/dbraw/zinc/77/29/38/606772938.db2.gz ONOVDIQYVQAXQP-BLLLJJGKSA-N -1 3 394.410 3.814 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1C[C@@H]2CCC[C@H]21 ZINC000823356810 606772939 /nfs/dbraw/zinc/77/29/39/606772939.db2.gz ONOVDIQYVQAXQP-BLLLJJGKSA-N -1 3 394.410 3.814 20 0 GHADHM O=C(c1cccc(COc2cc(Cl)ccc2-c2nnn[n-]2)c1)N1CCCCC1 ZINC000823493975 606784254 /nfs/dbraw/zinc/78/42/54/606784254.db2.gz YIQLEJZRPJYNLK-UHFFFAOYSA-N -1 3 397.866 3.725 20 0 GHADHM O=C(c1cccc(COc2cc(Cl)ccc2-c2nn[n-]n2)c1)N1CCCCC1 ZINC000823493975 606784256 /nfs/dbraw/zinc/78/42/56/606784256.db2.gz YIQLEJZRPJYNLK-UHFFFAOYSA-N -1 3 397.866 3.725 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)cc1 ZINC000822136107 606793118 /nfs/dbraw/zinc/79/31/18/606793118.db2.gz JBXQVNQNKUFUHA-ZFWWWQNUSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)cc1 ZINC000822136107 606793120 /nfs/dbraw/zinc/79/31/20/606793120.db2.gz JBXQVNQNKUFUHA-ZFWWWQNUSA-N -1 3 377.448 3.838 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CC3CCSCC3)c2-c2nnn[n-]2)C1 ZINC000820727078 606808937 /nfs/dbraw/zinc/80/89/37/606808937.db2.gz GLNQIUBATOOASK-SNVBAGLBSA-N -1 3 377.539 3.525 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CC3CCSCC3)c2-c2nn[n-]n2)C1 ZINC000820727078 606808939 /nfs/dbraw/zinc/80/89/39/606808939.db2.gz GLNQIUBATOOASK-SNVBAGLBSA-N -1 3 377.539 3.525 20 0 GHADHM O=C([C@H]1CCSC1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822916940 606811310 /nfs/dbraw/zinc/81/13/10/606811310.db2.gz JBMFUCBTJMJKGM-HNNXBMFYSA-N -1 3 399.907 3.806 20 0 GHADHM O=C([C@H]1CCSC1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822916940 606811311 /nfs/dbraw/zinc/81/13/11/606811311.db2.gz JBMFUCBTJMJKGM-HNNXBMFYSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823498595 606813661 /nfs/dbraw/zinc/81/36/61/606813661.db2.gz VVMUEFOYUCBGHV-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823498595 606813662 /nfs/dbraw/zinc/81/36/62/606813662.db2.gz VVMUEFOYUCBGHV-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM Clc1cccc([C@@H](NCc2ccccc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000822585736 606814207 /nfs/dbraw/zinc/81/42/07/606814207.db2.gz MFGDNJLSKAFPGQ-LJQANCHMSA-N -1 3 376.851 3.794 20 0 GHADHM c1ccc(-c2nnc(SCCCOc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000823767173 606836726 /nfs/dbraw/zinc/83/67/26/606836726.db2.gz OLLJMFJBAXXLRT-UHFFFAOYSA-N -1 3 396.501 3.946 20 0 GHADHM c1ccc(-c2nnc(SCCCOc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000823767173 606836728 /nfs/dbraw/zinc/83/67/28/606836728.db2.gz OLLJMFJBAXXLRT-UHFFFAOYSA-N -1 3 396.501 3.946 20 0 GHADHM Cc1sc2nc(C)nc(SC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)c2c1C ZINC000822453509 606846374 /nfs/dbraw/zinc/84/63/74/606846374.db2.gz KGYMTJASRVQYDF-CQSZACIVSA-N -1 3 398.517 3.622 20 0 GHADHM Cc1sc2nc(C)nc(SC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)c2c1C ZINC000822453509 606846376 /nfs/dbraw/zinc/84/63/76/606846376.db2.gz KGYMTJASRVQYDF-CQSZACIVSA-N -1 3 398.517 3.622 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000820548554 606850959 /nfs/dbraw/zinc/85/09/59/606850959.db2.gz CAVGAAZQBFIKRH-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000820548554 606850960 /nfs/dbraw/zinc/85/09/60/606850960.db2.gz CAVGAAZQBFIKRH-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823066238 606852326 /nfs/dbraw/zinc/85/23/26/606852326.db2.gz RKTJJQZIUDQNMN-DOMZBBRYSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823066238 606852327 /nfs/dbraw/zinc/85/23/27/606852327.db2.gz RKTJJQZIUDQNMN-DOMZBBRYSA-N -1 3 391.928 3.793 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1noc(-c2ccsc2)n1 ZINC000822563745 606852350 /nfs/dbraw/zinc/85/23/50/606852350.db2.gz MWFCIVZPPMVEQO-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1noc(-c2ccsc2)n1 ZINC000822563745 606852351 /nfs/dbraw/zinc/85/23/51/606852351.db2.gz MWFCIVZPPMVEQO-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(c1ccc(F)cc1)C1CCCC1 ZINC000822974321 606856245 /nfs/dbraw/zinc/85/62/45/606856245.db2.gz HATXCKYAQXIUOS-UHFFFAOYSA-N -1 3 379.439 3.914 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(c1ccc(F)cc1)C1CCCC1 ZINC000822974321 606856246 /nfs/dbraw/zinc/85/62/46/606856246.db2.gz HATXCKYAQXIUOS-UHFFFAOYSA-N -1 3 379.439 3.914 20 0 GHADHM FC(F)(F)c1cc(NCc2ccn(C3CCCC3)n2)ccc1-c1nnn[n-]1 ZINC000822723798 606865532 /nfs/dbraw/zinc/86/55/32/606865532.db2.gz OPFGQWCAWLBKHW-UHFFFAOYSA-N -1 3 377.374 3.809 20 0 GHADHM FC(F)(F)c1cc(NCc2ccn(C3CCCC3)n2)ccc1-c1nn[n-]n1 ZINC000822723798 606865534 /nfs/dbraw/zinc/86/55/34/606865534.db2.gz OPFGQWCAWLBKHW-UHFFFAOYSA-N -1 3 377.374 3.809 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821449899 606870014 /nfs/dbraw/zinc/87/00/14/606870014.db2.gz YAWFXEPIWKHTMS-KBPBESRZSA-N -1 3 391.545 3.561 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821449899 606870015 /nfs/dbraw/zinc/87/00/15/606870015.db2.gz YAWFXEPIWKHTMS-KBPBESRZSA-N -1 3 391.545 3.561 20 0 GHADHM Cc1ccc(N(Cc2cccs2)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822241257 606925440 /nfs/dbraw/zinc/92/54/40/606925440.db2.gz PQNVMVLZJNZYMA-HXUWFJFHSA-N -1 3 391.500 3.977 20 0 GHADHM Cc1ccc(N(Cc2cccs2)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822241257 606925441 /nfs/dbraw/zinc/92/54/41/606925441.db2.gz PQNVMVLZJNZYMA-HXUWFJFHSA-N -1 3 391.500 3.977 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822214127 606947045 /nfs/dbraw/zinc/94/70/45/606947045.db2.gz QMCBOWDIPAXCPQ-GJZGRUSLSA-N -1 3 389.463 3.945 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822214127 606947047 /nfs/dbraw/zinc/94/70/47/606947047.db2.gz QMCBOWDIPAXCPQ-GJZGRUSLSA-N -1 3 389.463 3.945 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(OC(F)(F)F)c1 ZINC000823386990 606956551 /nfs/dbraw/zinc/95/65/51/606956551.db2.gz ALIXAYRDJUJVNR-UHFFFAOYSA-N -1 3 395.366 3.568 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(OC(F)(F)F)c1 ZINC000823386990 606956552 /nfs/dbraw/zinc/95/65/52/606956552.db2.gz ALIXAYRDJUJVNR-UHFFFAOYSA-N -1 3 395.366 3.568 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820678882 606958328 /nfs/dbraw/zinc/95/83/28/606958328.db2.gz ZWNALGOCPUZRBX-ACJLOTCBSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820678882 606958330 /nfs/dbraw/zinc/95/83/30/606958330.db2.gz ZWNALGOCPUZRBX-ACJLOTCBSA-N -1 3 397.866 3.621 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569466 606962625 /nfs/dbraw/zinc/96/26/25/606962625.db2.gz LBWVICCTSIBDKO-CHWSQXEVSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569466 606962627 /nfs/dbraw/zinc/96/26/27/606962627.db2.gz LBWVICCTSIBDKO-CHWSQXEVSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)CCCOc1cccc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000821569872 606970960 /nfs/dbraw/zinc/97/09/60/606970960.db2.gz YVFSOGPNXGNXOE-UHFFFAOYSA-N -1 3 387.443 3.842 20 0 GHADHM CN(C(=O)CCCOc1cccc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000821569872 606970962 /nfs/dbraw/zinc/97/09/62/606970962.db2.gz YVFSOGPNXGNXOE-UHFFFAOYSA-N -1 3 387.443 3.842 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822207212 606987328 /nfs/dbraw/zinc/98/73/28/606987328.db2.gz OHFLYOJTZZWZRN-MRXNPFEDSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822207212 606987329 /nfs/dbraw/zinc/98/73/29/606987329.db2.gz OHFLYOJTZZWZRN-MRXNPFEDSA-N -1 3 390.491 3.735 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820011026 607009918 /nfs/dbraw/zinc/00/99/18/607009918.db2.gz GKDWEGOWZAZNAX-ZDUSSCGKSA-N -1 3 395.488 3.825 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820011026 607009919 /nfs/dbraw/zinc/00/99/19/607009919.db2.gz GKDWEGOWZAZNAX-ZDUSSCGKSA-N -1 3 395.488 3.825 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2ccccc2C1 ZINC000820031136 607011685 /nfs/dbraw/zinc/01/16/85/607011685.db2.gz AHCWFNLRDRTNTN-LJQANCHMSA-N -1 3 393.516 3.568 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2ccccc2C1 ZINC000820031136 607011687 /nfs/dbraw/zinc/01/16/87/607011687.db2.gz AHCWFNLRDRTNTN-LJQANCHMSA-N -1 3 393.516 3.568 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccc(C)cc1 ZINC000821565120 607016943 /nfs/dbraw/zinc/01/69/43/607016943.db2.gz FBURGOUCYCULRQ-UHFFFAOYSA-N -1 3 377.477 3.746 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccc(C)cc1 ZINC000821565120 607016945 /nfs/dbraw/zinc/01/69/45/607016945.db2.gz FBURGOUCYCULRQ-UHFFFAOYSA-N -1 3 377.477 3.746 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263772 607024913 /nfs/dbraw/zinc/02/49/13/607024913.db2.gz YRADTEPMKBKOLM-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822263772 607024915 /nfs/dbraw/zinc/02/49/15/607024915.db2.gz YRADTEPMKBKOLM-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000822221132 607041808 /nfs/dbraw/zinc/04/18/08/607041808.db2.gz BUYZBYFLYOMYKY-QGZVFWFLSA-N -1 3 385.493 3.519 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000822221132 607041809 /nfs/dbraw/zinc/04/18/09/607041809.db2.gz BUYZBYFLYOMYKY-QGZVFWFLSA-N -1 3 385.493 3.519 20 0 GHADHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000822207373 607044579 /nfs/dbraw/zinc/04/45/79/607044579.db2.gz TZRUORKQBCZVLL-UHFFFAOYSA-N -1 3 395.463 3.758 20 0 GHADHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000822207373 607044580 /nfs/dbraw/zinc/04/45/80/607044580.db2.gz TZRUORKQBCZVLL-UHFFFAOYSA-N -1 3 395.463 3.758 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823093453 607056747 /nfs/dbraw/zinc/05/67/47/607056747.db2.gz YNEHVKMMPOUNKW-UHFFFAOYSA-N -1 3 381.439 3.666 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823093453 607056749 /nfs/dbraw/zinc/05/67/49/607056749.db2.gz YNEHVKMMPOUNKW-UHFFFAOYSA-N -1 3 381.439 3.666 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc(-c2ccc(F)cc2)n1 ZINC000823417458 607076456 /nfs/dbraw/zinc/07/64/56/607076456.db2.gz BCWREXDUVOQOBF-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc(-c2ccc(F)cc2)n1 ZINC000823417458 607076457 /nfs/dbraw/zinc/07/64/57/607076457.db2.gz BCWREXDUVOQOBF-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2ccccc2c(Cl)n1 ZINC000823418213 607078442 /nfs/dbraw/zinc/07/84/42/607078442.db2.gz NRCPHBGTCLBZFM-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC000823418213 607078443 /nfs/dbraw/zinc/07/84/43/607078443.db2.gz NRCPHBGTCLBZFM-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000820529193 607093154 /nfs/dbraw/zinc/09/31/54/607093154.db2.gz PRTAGMSZKHJNNW-NOZJJQNGSA-N -1 3 390.852 3.580 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000822936095 607094546 /nfs/dbraw/zinc/09/45/46/607094546.db2.gz RVHGLWUXIKTNEJ-JNCYCUAHSA-N -1 3 397.438 3.802 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000822936095 607094549 /nfs/dbraw/zinc/09/45/49/607094549.db2.gz RVHGLWUXIKTNEJ-JNCYCUAHSA-N -1 3 397.438 3.802 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000821304834 607100999 /nfs/dbraw/zinc/10/09/99/607100999.db2.gz RWWGFGOHOMYUAF-UHFFFAOYSA-N -1 3 392.394 3.950 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000821304941 607102542 /nfs/dbraw/zinc/10/25/42/607102542.db2.gz UXWJHVCJPLARHE-UHFFFAOYSA-N -1 3 392.394 3.950 20 0 GHADHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000820633821 607115302 /nfs/dbraw/zinc/11/53/02/607115302.db2.gz DSXDDVSNBBRZRU-SFHVURJKSA-N -1 3 389.381 3.638 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000822748260 607128727 /nfs/dbraw/zinc/12/87/27/607128727.db2.gz PTIAVPKWDMEYSQ-UHFFFAOYSA-N -1 3 385.362 3.803 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000822748260 607128728 /nfs/dbraw/zinc/12/87/28/607128728.db2.gz PTIAVPKWDMEYSQ-UHFFFAOYSA-N -1 3 385.362 3.803 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1nc(-c2ccncc2)nc2ccccc21 ZINC000822748319 607129023 /nfs/dbraw/zinc/12/90/23/607129023.db2.gz TZQJQPGRWBJILJ-UHFFFAOYSA-N -1 3 385.362 3.803 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2ccncc2)nc2ccccc21 ZINC000822748319 607129025 /nfs/dbraw/zinc/12/90/25/607129025.db2.gz TZQJQPGRWBJILJ-UHFFFAOYSA-N -1 3 385.362 3.803 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cnc(Cl)s2)n1 ZINC000822191281 607142628 /nfs/dbraw/zinc/14/26/28/607142628.db2.gz HIGHKUSISCVNLY-UHFFFAOYSA-N -1 3 392.819 3.991 20 0 GHADHM COc1c(F)cc(F)cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821698579 607150729 /nfs/dbraw/zinc/15/07/29/607150729.db2.gz PUCCMGCDHZJQEF-UHFFFAOYSA-N -1 3 396.810 3.616 20 0 GHADHM COc1c(F)cc(F)cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821698579 607150730 /nfs/dbraw/zinc/15/07/30/607150730.db2.gz PUCCMGCDHZJQEF-UHFFFAOYSA-N -1 3 396.810 3.616 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1C(C)(C)C ZINC000820187453 607188878 /nfs/dbraw/zinc/18/88/78/607188878.db2.gz BOQUSCPSHPZHMP-UHFFFAOYSA-N -1 3 387.875 3.847 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1C(C)(C)C ZINC000820187453 607188879 /nfs/dbraw/zinc/18/88/79/607188879.db2.gz BOQUSCPSHPZHMP-UHFFFAOYSA-N -1 3 387.875 3.847 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000820541080 607191635 /nfs/dbraw/zinc/19/16/35/607191635.db2.gz BFMNJNYSTGSIRX-VIFPVBQESA-N -1 3 393.781 3.864 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000820541080 607191636 /nfs/dbraw/zinc/19/16/36/607191636.db2.gz BFMNJNYSTGSIRX-VIFPVBQESA-N -1 3 393.781 3.864 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000820743018 607199982 /nfs/dbraw/zinc/19/99/82/607199982.db2.gz PGBRZGCCWFDLFL-YVEFUNNKSA-N -1 3 398.854 3.514 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000820743018 607199983 /nfs/dbraw/zinc/19/99/83/607199983.db2.gz PGBRZGCCWFDLFL-YVEFUNNKSA-N -1 3 398.854 3.514 20 0 GHADHM CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821607208 607199996 /nfs/dbraw/zinc/19/99/96/607199996.db2.gz DBCGIJOYQRCTMB-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821607208 607199997 /nfs/dbraw/zinc/19/99/97/607199997.db2.gz DBCGIJOYQRCTMB-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821782888 607200317 /nfs/dbraw/zinc/20/03/17/607200317.db2.gz RAQAEDVZCBEUTR-QGZVFWFLSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821782888 607200318 /nfs/dbraw/zinc/20/03/18/607200318.db2.gz RAQAEDVZCBEUTR-QGZVFWFLSA-N -1 3 398.854 3.898 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820945306 607203336 /nfs/dbraw/zinc/20/33/36/607203336.db2.gz QZLQVOVUAGKRII-INIZCTEOSA-N -1 3 385.859 3.920 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820945306 607203337 /nfs/dbraw/zinc/20/33/37/607203337.db2.gz QZLQVOVUAGKRII-INIZCTEOSA-N -1 3 385.859 3.920 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000819975873 607237072 /nfs/dbraw/zinc/23/70/72/607237072.db2.gz DQBPJQYRXRMOTQ-UHFFFAOYSA-N -1 3 382.449 3.997 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000819975873 607237073 /nfs/dbraw/zinc/23/70/73/607237073.db2.gz DQBPJQYRXRMOTQ-UHFFFAOYSA-N -1 3 382.449 3.997 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821000448 607237141 /nfs/dbraw/zinc/23/71/41/607237141.db2.gz FERFDENURYARCZ-INIZCTEOSA-N -1 3 397.504 3.622 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821000448 607237142 /nfs/dbraw/zinc/23/71/42/607237142.db2.gz FERFDENURYARCZ-INIZCTEOSA-N -1 3 397.504 3.622 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825812655 607789510 /nfs/dbraw/zinc/78/95/10/607789510.db2.gz QGTUDNNERYREND-KGLIPLIRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825812655 607789511 /nfs/dbraw/zinc/78/95/11/607789511.db2.gz QGTUDNNERYREND-KGLIPLIRSA-N -1 3 388.258 3.940 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825281340 607796391 /nfs/dbraw/zinc/79/63/91/607796391.db2.gz AELSQSBXLHMPFF-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825281340 607796392 /nfs/dbraw/zinc/79/63/92/607796392.db2.gz AELSQSBXLHMPFF-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM C[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736154733 607801127 /nfs/dbraw/zinc/80/11/27/607801127.db2.gz BEYQFHDKUBTGTK-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2OCC1CC1)c1sccc1-c1nnn[n-]1 ZINC000826462779 607802563 /nfs/dbraw/zinc/80/25/63/607802563.db2.gz IMXYAARBVJNFEV-MRXNPFEDSA-N -1 3 382.445 3.561 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000826277947 607803315 /nfs/dbraw/zinc/80/33/15/607803315.db2.gz MQIMHOSMLKWFBC-UHFFFAOYSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000826277947 607803316 /nfs/dbraw/zinc/80/33/16/607803316.db2.gz MQIMHOSMLKWFBC-UHFFFAOYSA-N -1 3 376.464 3.761 20 0 GHADHM CCOc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825654087 607844438 /nfs/dbraw/zinc/84/44/38/607844438.db2.gz NZCOPYARGATZHH-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825654087 607844439 /nfs/dbraw/zinc/84/44/39/607844439.db2.gz NZCOPYARGATZHH-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1c(F)cccc1F ZINC000824757594 607845240 /nfs/dbraw/zinc/84/52/40/607845240.db2.gz YDVFNRYYOSNWFS-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1c(F)cccc1F ZINC000824757594 607845241 /nfs/dbraw/zinc/84/52/41/607845241.db2.gz YDVFNRYYOSNWFS-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM CCN(C(=O)COc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371762 607878754 /nfs/dbraw/zinc/87/87/54/607878754.db2.gz KQJSZXJOQYOTOC-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371762 607878755 /nfs/dbraw/zinc/87/87/55/607878755.db2.gz KQJSZXJOQYOTOC-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000824045331 607887043 /nfs/dbraw/zinc/88/70/43/607887043.db2.gz LJDVBANRYMRFCX-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000824045331 607887044 /nfs/dbraw/zinc/88/70/44/607887044.db2.gz LJDVBANRYMRFCX-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCOCC1 ZINC000824047091 607894449 /nfs/dbraw/zinc/89/44/49/607894449.db2.gz XDXHDEBYAHTQGF-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCOCC1 ZINC000824047091 607894450 /nfs/dbraw/zinc/89/44/50/607894450.db2.gz XDXHDEBYAHTQGF-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826329354 607904214 /nfs/dbraw/zinc/90/42/14/607904214.db2.gz ZKYMQQLLHMNURI-HNNXBMFYSA-N -1 3 393.882 3.847 20 0 GHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826329354 607904215 /nfs/dbraw/zinc/90/42/15/607904215.db2.gz ZKYMQQLLHMNURI-HNNXBMFYSA-N -1 3 393.882 3.847 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323873 607913110 /nfs/dbraw/zinc/91/31/10/607913110.db2.gz VKILQVUUXXVYKO-PLSXKVAHSA-N -1 3 396.520 3.988 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323873 607913111 /nfs/dbraw/zinc/91/31/11/607913111.db2.gz VKILQVUUXXVYKO-PLSXKVAHSA-N -1 3 396.520 3.988 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421589 607948206 /nfs/dbraw/zinc/94/82/06/607948206.db2.gz PBTASTFYTWFTCB-UHFFFAOYSA-N -1 3 381.439 3.666 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421589 607948207 /nfs/dbraw/zinc/94/82/07/607948207.db2.gz PBTASTFYTWFTCB-UHFFFAOYSA-N -1 3 381.439 3.666 20 0 GHADHM CCc1nc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)sc1C ZINC000825750855 607963923 /nfs/dbraw/zinc/96/39/23/607963923.db2.gz YZHONLVIUMJKSZ-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1nc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)sc1C ZINC000825750855 607963924 /nfs/dbraw/zinc/96/39/24/607963924.db2.gz YZHONLVIUMJKSZ-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826185012 607965926 /nfs/dbraw/zinc/96/59/26/607965926.db2.gz VKPOJYBGFHCNLO-MLGOLLRUSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826185012 607965927 /nfs/dbraw/zinc/96/59/27/607965927.db2.gz VKPOJYBGFHCNLO-MLGOLLRUSA-N -1 3 399.524 3.819 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362291 607978389 /nfs/dbraw/zinc/97/83/89/607978389.db2.gz MASYWNZVHGJQFF-HZPDHXFCSA-N -1 3 393.491 3.664 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362291 607978390 /nfs/dbraw/zinc/97/83/90/607978390.db2.gz MASYWNZVHGJQFF-HZPDHXFCSA-N -1 3 393.491 3.664 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824721557 607994745 /nfs/dbraw/zinc/99/47/45/607994745.db2.gz BFIVBRDFPUZCFI-QMMMGPOBSA-N -1 3 397.744 3.852 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824721557 607994746 /nfs/dbraw/zinc/99/47/46/607994746.db2.gz BFIVBRDFPUZCFI-QMMMGPOBSA-N -1 3 397.744 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cnc2ccc(F)cc2c1 ZINC000826460700 608000366 /nfs/dbraw/zinc/00/03/66/608000366.db2.gz NPQQOYGZPRARRA-UHFFFAOYSA-N -1 3 394.435 3.747 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cnc2ccc(F)cc2c1 ZINC000826460700 608000367 /nfs/dbraw/zinc/00/03/67/608000367.db2.gz NPQQOYGZPRARRA-UHFFFAOYSA-N -1 3 394.435 3.747 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC=C(C(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826231375 608004336 /nfs/dbraw/zinc/00/43/36/608004336.db2.gz IYORPOPKHCXNHC-UHFFFAOYSA-N -1 3 398.536 3.679 20 0 GHADHM COc1ccccc1[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccn1 ZINC000826219304 608017296 /nfs/dbraw/zinc/01/72/96/608017296.db2.gz YACUVODZRXFITP-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccccc1[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000826219304 608017297 /nfs/dbraw/zinc/01/72/97/608017297.db2.gz YACUVODZRXFITP-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM O=C(c1cccc(-c2ccoc2)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826473525 608023939 /nfs/dbraw/zinc/02/39/39/608023939.db2.gz BOGMRZNULYHMCJ-UHFFFAOYSA-N -1 3 385.427 3.932 20 0 GHADHM O=C(c1cccc(-c2ccoc2)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826473525 608023940 /nfs/dbraw/zinc/02/39/40/608023940.db2.gz BOGMRZNULYHMCJ-UHFFFAOYSA-N -1 3 385.427 3.932 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000824521931 608048635 /nfs/dbraw/zinc/04/86/35/608048635.db2.gz OUIWJKWIJGGZCL-LLVKDONJSA-N -1 3 383.839 3.841 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000824521931 608048636 /nfs/dbraw/zinc/04/86/36/608048636.db2.gz OUIWJKWIJGGZCL-LLVKDONJSA-N -1 3 383.839 3.841 20 0 GHADHM Cc1cnc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C2CC2)s1 ZINC000826317530 608050764 /nfs/dbraw/zinc/05/07/64/608050764.db2.gz GHZFGLBJOQWSKH-ZDUSSCGKSA-N -1 3 391.298 3.957 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823826733 608051161 /nfs/dbraw/zinc/05/11/61/608051161.db2.gz NYIWKSLOIVTWTF-CYBMUJFWSA-N -1 3 392.301 3.923 20 0 GHADHM Clc1ccc(Cl)c(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826352151 608070785 /nfs/dbraw/zinc/07/07/85/608070785.db2.gz POJAXTHGNFPTLK-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(Cl)c(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826352151 608070786 /nfs/dbraw/zinc/07/07/86/608070786.db2.gz POJAXTHGNFPTLK-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000826473329 608072272 /nfs/dbraw/zinc/07/22/72/608072272.db2.gz TTWALCBOPXSCOG-CZUORRHYSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000826473329 608072273 /nfs/dbraw/zinc/07/22/73/608072273.db2.gz TTWALCBOPXSCOG-CZUORRHYSA-N -1 3 395.850 3.937 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000824341810 608121910 /nfs/dbraw/zinc/12/19/10/608121910.db2.gz DOCSWLHNLIFBLN-UHFFFAOYSA-N -1 3 375.388 3.864 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000824341810 608121911 /nfs/dbraw/zinc/12/19/11/608121911.db2.gz DOCSWLHNLIFBLN-UHFFFAOYSA-N -1 3 375.388 3.864 20 0 GHADHM CC[C@@H](C)CCCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825058896 608145869 /nfs/dbraw/zinc/14/58/69/608145869.db2.gz BDLCTLAJXAXMCJ-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CC[C@@H](C)CCCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825058896 608145870 /nfs/dbraw/zinc/14/58/70/608145870.db2.gz BDLCTLAJXAXMCJ-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826405753 608148909 /nfs/dbraw/zinc/14/89/09/608148909.db2.gz SDLBRCKODZIYTQ-UHFFFAOYSA-N -1 3 392.341 3.725 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826405753 608148911 /nfs/dbraw/zinc/14/89/11/608148911.db2.gz SDLBRCKODZIYTQ-UHFFFAOYSA-N -1 3 392.341 3.725 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077634 608149394 /nfs/dbraw/zinc/14/93/94/608149394.db2.gz CDBOQVFLWBNPQZ-NHYWBVRUSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077634 608149395 /nfs/dbraw/zinc/14/93/95/608149395.db2.gz CDBOQVFLWBNPQZ-NHYWBVRUSA-N -1 3 388.422 3.699 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(Br)c1 ZINC000826232339 608167197 /nfs/dbraw/zinc/16/71/97/608167197.db2.gz CNEMAMCSJNPIEN-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(Br)c1 ZINC000826232339 608167198 /nfs/dbraw/zinc/16/71/98/608167198.db2.gz CNEMAMCSJNPIEN-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cnccc1Cl ZINC000826464913 608174904 /nfs/dbraw/zinc/17/49/04/608174904.db2.gz RLXHNPUVZUHCIW-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cnccc1Cl ZINC000826464913 608174905 /nfs/dbraw/zinc/17/49/05/608174905.db2.gz RLXHNPUVZUHCIW-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826219767 608185970 /nfs/dbraw/zinc/18/59/70/608185970.db2.gz PXMXYZQKQFSKTK-CQSZACIVSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826219767 608185972 /nfs/dbraw/zinc/18/59/72/608185972.db2.gz PXMXYZQKQFSKTK-CQSZACIVSA-N -1 3 380.448 3.748 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826343353 608186111 /nfs/dbraw/zinc/18/61/11/608186111.db2.gz XDVLYUCDAQXJLN-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826343353 608186113 /nfs/dbraw/zinc/18/61/13/608186113.db2.gz XDVLYUCDAQXJLN-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c1C ZINC000824010709 608204990 /nfs/dbraw/zinc/20/49/90/608204990.db2.gz RARNVTUCWNMMDB-UHFFFAOYSA-N -1 3 389.868 3.643 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c1C ZINC000824010709 608204991 /nfs/dbraw/zinc/20/49/91/608204991.db2.gz RARNVTUCWNMMDB-UHFFFAOYSA-N -1 3 389.868 3.643 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccc(F)cc1F ZINC000826420766 608208169 /nfs/dbraw/zinc/20/81/69/608208169.db2.gz BAYUAKIUCZWUDC-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccc(F)cc1F ZINC000826420766 608208170 /nfs/dbraw/zinc/20/81/70/608208170.db2.gz BAYUAKIUCZWUDC-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM C[C@@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824656474 608218283 /nfs/dbraw/zinc/21/82/83/608218283.db2.gz KIRPULTVVNGWMK-LLVKDONJSA-N -1 3 394.504 3.733 20 0 GHADHM C[C@@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824656474 608218284 /nfs/dbraw/zinc/21/82/84/608218284.db2.gz KIRPULTVVNGWMK-LLVKDONJSA-N -1 3 394.504 3.733 20 0 GHADHM CCN(C(=O)c1ccnc(OC2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385351 608260355 /nfs/dbraw/zinc/26/03/55/608260355.db2.gz CWXBOUFMKGTQOU-UHFFFAOYSA-N -1 3 392.463 3.640 20 0 GHADHM CCN(C(=O)c1ccnc(OC2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385351 608260356 /nfs/dbraw/zinc/26/03/56/608260356.db2.gz CWXBOUFMKGTQOU-UHFFFAOYSA-N -1 3 392.463 3.640 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccnc(OC2CCCCC2)c1 ZINC000826453094 608264856 /nfs/dbraw/zinc/26/48/56/608264856.db2.gz VNACAIRDFMUCEQ-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccnc(OC2CCCCC2)c1 ZINC000826453094 608264858 /nfs/dbraw/zinc/26/48/58/608264858.db2.gz VNACAIRDFMUCEQ-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H](c1ccccc1)C1CC1 ZINC000826460748 608264855 /nfs/dbraw/zinc/26/48/55/608264855.db2.gz QLWRBPGZMWHVJI-MRXNPFEDSA-N -1 3 379.489 3.939 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H](c1ccccc1)C1CC1 ZINC000826460748 608264857 /nfs/dbraw/zinc/26/48/57/608264857.db2.gz QLWRBPGZMWHVJI-MRXNPFEDSA-N -1 3 379.489 3.939 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824925794 608266436 /nfs/dbraw/zinc/26/64/36/608266436.db2.gz HEMVSRKZYMEOJN-APWZRJJASA-N -1 3 385.512 3.639 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824925794 608266439 /nfs/dbraw/zinc/26/64/39/608266439.db2.gz HEMVSRKZYMEOJN-APWZRJJASA-N -1 3 385.512 3.639 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825193457 608270668 /nfs/dbraw/zinc/27/06/68/608270668.db2.gz LSKVNPHUPORYDT-CRAIPNDOSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825193457 608270669 /nfs/dbraw/zinc/27/06/69/608270669.db2.gz LSKVNPHUPORYDT-CRAIPNDOSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)n1 ZINC000826274585 608276093 /nfs/dbraw/zinc/27/60/93/608276093.db2.gz WKKZODHRHQRTLV-UHFFFAOYSA-N -1 3 378.480 3.741 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)n1 ZINC000826274585 608276094 /nfs/dbraw/zinc/27/60/94/608276094.db2.gz WKKZODHRHQRTLV-UHFFFAOYSA-N -1 3 378.480 3.741 20 0 GHADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1Br ZINC000824606253 608284172 /nfs/dbraw/zinc/28/41/72/608284172.db2.gz PELZWPXNMZANLB-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1COC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520911 608292287 /nfs/dbraw/zinc/29/22/87/608292287.db2.gz FWJZWVRWEDLBRH-CQSZACIVSA-N -1 3 379.464 3.673 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1COC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520911 608292289 /nfs/dbraw/zinc/29/22/89/608292289.db2.gz FWJZWVRWEDLBRH-CQSZACIVSA-N -1 3 379.464 3.673 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826268470 608298430 /nfs/dbraw/zinc/29/84/30/608298430.db2.gz YQAQZQXAOKNVIF-CABCVRRESA-N -1 3 396.470 3.505 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826268470 608298432 /nfs/dbraw/zinc/29/84/32/608298432.db2.gz YQAQZQXAOKNVIF-CABCVRRESA-N -1 3 396.470 3.505 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826368274 608298461 /nfs/dbraw/zinc/29/84/61/608298461.db2.gz JQTYECGBOJXYHR-CHWSQXEVSA-N -1 3 381.402 3.529 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826226454 608301109 /nfs/dbraw/zinc/30/11/09/608301109.db2.gz ZSGSQFZSIMHEHP-CQSZACIVSA-N -1 3 397.504 3.916 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826226454 608301111 /nfs/dbraw/zinc/30/11/11/608301111.db2.gz ZSGSQFZSIMHEHP-CQSZACIVSA-N -1 3 397.504 3.916 20 0 GHADHM Cc1cccc([C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c2ccccn2)c1 ZINC000826296767 608307860 /nfs/dbraw/zinc/30/78/60/608307860.db2.gz ILGASGRRTQUQIE-FQEVSTJZSA-N -1 3 399.458 3.790 20 0 GHADHM Cc1cccc([C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c2ccccn2)c1 ZINC000826296767 608307861 /nfs/dbraw/zinc/30/78/61/608307861.db2.gz ILGASGRRTQUQIE-FQEVSTJZSA-N -1 3 399.458 3.790 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000826241080 608307978 /nfs/dbraw/zinc/30/79/78/608307978.db2.gz QJHGDTCTMDYQHJ-JTQLQIEISA-N -1 3 386.253 3.680 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000826241080 608307980 /nfs/dbraw/zinc/30/79/80/608307980.db2.gz QJHGDTCTMDYQHJ-JTQLQIEISA-N -1 3 386.253 3.680 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824447933 608313872 /nfs/dbraw/zinc/31/38/72/608313872.db2.gz DSWNUTFPUOYCBW-INIZCTEOSA-N -1 3 392.507 3.763 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824447933 608313874 /nfs/dbraw/zinc/31/38/74/608313874.db2.gz DSWNUTFPUOYCBW-INIZCTEOSA-N -1 3 392.507 3.763 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000824450752 608314666 /nfs/dbraw/zinc/31/46/66/608314666.db2.gz ZGGFDSLIXUNKJI-GFCCVEGCSA-N -1 3 385.418 3.629 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000824450752 608314668 /nfs/dbraw/zinc/31/46/68/608314668.db2.gz ZGGFDSLIXUNKJI-GFCCVEGCSA-N -1 3 385.418 3.629 20 0 GHADHM Cc1ccsc1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826316441 608329788 /nfs/dbraw/zinc/32/97/88/608329788.db2.gz OBWXCTBCIUUGMQ-UHFFFAOYSA-N -1 3 398.536 3.647 20 0 GHADHM Cc1ccsc1CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826316441 608329789 /nfs/dbraw/zinc/32/97/89/608329789.db2.gz OBWXCTBCIUUGMQ-UHFFFAOYSA-N -1 3 398.536 3.647 20 0 GHADHM CCN(C(=O)CCCc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372333 608342219 /nfs/dbraw/zinc/34/22/19/608342219.db2.gz VUXYTPPNCDQLLU-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCN(C(=O)CCCc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372333 608342220 /nfs/dbraw/zinc/34/22/20/608342220.db2.gz VUXYTPPNCDQLLU-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCN(C(=O)/C=C\SCc1ccco1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367201 608344855 /nfs/dbraw/zinc/34/48/55/608344855.db2.gz KWPVYLIZYYTQAR-CLFYSBASSA-N -1 3 389.868 3.913 20 0 GHADHM CCN(C(=O)/C=C\SCc1ccco1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367201 608344857 /nfs/dbraw/zinc/34/48/57/608344857.db2.gz KWPVYLIZYYTQAR-CLFYSBASSA-N -1 3 389.868 3.913 20 0 GHADHM CCN(C(=O)Cc1ccccc1OC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376876 608345620 /nfs/dbraw/zinc/34/56/20/608345620.db2.gz OUHQTPLIFUXXIP-UHFFFAOYSA-N -1 3 399.882 3.903 20 0 GHADHM CCN(C(=O)Cc1ccccc1OC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376876 608345621 /nfs/dbraw/zinc/34/56/21/608345621.db2.gz OUHQTPLIFUXXIP-UHFFFAOYSA-N -1 3 399.882 3.903 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)c(Br)c(F)c1 ZINC000826456393 608411070 /nfs/dbraw/zinc/41/10/70/608411070.db2.gz BMDMFROEXQPNBX-UHFFFAOYSA-N -1 3 395.167 3.551 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)c(Br)c(F)c1 ZINC000826456393 608411071 /nfs/dbraw/zinc/41/10/71/608411071.db2.gz BMDMFROEXQPNBX-UHFFFAOYSA-N -1 3 395.167 3.551 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826324110 608460668 /nfs/dbraw/zinc/46/06/68/608460668.db2.gz FAWFCCXHXNNXMY-UHFFFAOYSA-N -1 3 382.493 3.956 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826324110 608460669 /nfs/dbraw/zinc/46/06/69/608460669.db2.gz FAWFCCXHXNNXMY-UHFFFAOYSA-N -1 3 382.493 3.956 20 0 GHADHM CCc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)oc1CC ZINC000825694293 608478872 /nfs/dbraw/zinc/47/88/72/608478872.db2.gz NCDBYVHXDSQKAB-UHFFFAOYSA-N -1 3 377.448 3.514 20 0 GHADHM CCc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)oc1CC ZINC000825694293 608478874 /nfs/dbraw/zinc/47/88/74/608478874.db2.gz NCDBYVHXDSQKAB-UHFFFAOYSA-N -1 3 377.448 3.514 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404540 608479503 /nfs/dbraw/zinc/47/95/03/608479503.db2.gz DFLRCZQCQGXPGR-NRFANRHFSA-N -1 3 399.498 3.993 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404540 608479504 /nfs/dbraw/zinc/47/95/04/608479504.db2.gz DFLRCZQCQGXPGR-NRFANRHFSA-N -1 3 399.498 3.993 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccs1 ZINC000824058789 608480077 /nfs/dbraw/zinc/48/00/77/608480077.db2.gz BYVYVSCDXGQHEC-UHFFFAOYSA-N -1 3 379.489 3.522 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccs1 ZINC000824058789 608480078 /nfs/dbraw/zinc/48/00/78/608480078.db2.gz BYVYVSCDXGQHEC-UHFFFAOYSA-N -1 3 379.489 3.522 20 0 GHADHM CCc1sc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000825782649 608481329 /nfs/dbraw/zinc/48/13/29/608481329.db2.gz KCAYJDZAOVNHOP-UHFFFAOYSA-N -1 3 379.489 3.729 20 0 GHADHM CCc1sc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000825782649 608481331 /nfs/dbraw/zinc/48/13/31/608481331.db2.gz KCAYJDZAOVNHOP-UHFFFAOYSA-N -1 3 379.489 3.729 20 0 GHADHM CCc1sc(-c2nnc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)o2)cc1C ZINC000825782795 608482282 /nfs/dbraw/zinc/48/22/82/608482282.db2.gz PRCJGLNVNFSCAO-LBPRGKRZSA-N -1 3 395.492 3.700 20 0 GHADHM CCc1sc(-c2nnc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000825782795 608482283 /nfs/dbraw/zinc/48/22/83/608482283.db2.gz PRCJGLNVNFSCAO-LBPRGKRZSA-N -1 3 395.492 3.700 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)cc3cccnc32)c1-c1nnn[n-]1 ZINC000825688423 608494178 /nfs/dbraw/zinc/49/41/78/608494178.db2.gz ZFGLEHVPXJQFIK-UHFFFAOYSA-N -1 3 382.424 3.739 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)cc3cccnc32)c1-c1nn[n-]n1 ZINC000825688423 608494179 /nfs/dbraw/zinc/49/41/79/608494179.db2.gz ZFGLEHVPXJQFIK-UHFFFAOYSA-N -1 3 382.424 3.739 20 0 GHADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000825154601 608499713 /nfs/dbraw/zinc/49/97/13/608499713.db2.gz RCAIXNLMANLQSW-CQSZACIVSA-N -1 3 380.301 3.731 20 0 GHADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000825154601 608499714 /nfs/dbraw/zinc/49/97/14/608499714.db2.gz RCAIXNLMANLQSW-CQSZACIVSA-N -1 3 380.301 3.731 20 0 GHADHM CC(C)COC[C@@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccco1 ZINC000824272509 608506357 /nfs/dbraw/zinc/50/63/57/608506357.db2.gz ZGDJDMYSNIDENJ-RBUKOAKNSA-N -1 3 381.480 3.841 20 0 GHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Br ZINC000826369695 608526960 /nfs/dbraw/zinc/52/69/60/608526960.db2.gz MYKSIRVJALMWRL-DAFODLJHSA-N -1 3 394.179 3.796 20 0 GHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000826369695 608526961 /nfs/dbraw/zinc/52/69/61/608526961.db2.gz MYKSIRVJALMWRL-DAFODLJHSA-N -1 3 394.179 3.796 20 0 GHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Br ZINC000826369696 608527122 /nfs/dbraw/zinc/52/71/22/608527122.db2.gz MYKSIRVJALMWRL-RJRFIUFISA-N -1 3 394.179 3.796 20 0 GHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000826369696 608527124 /nfs/dbraw/zinc/52/71/24/608527124.db2.gz MYKSIRVJALMWRL-RJRFIUFISA-N -1 3 394.179 3.796 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824874527 608545739 /nfs/dbraw/zinc/54/57/39/608545739.db2.gz DKXNAAPRKDRVDP-HIFRSBDPSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824874527 608545741 /nfs/dbraw/zinc/54/57/41/608545741.db2.gz DKXNAAPRKDRVDP-HIFRSBDPSA-N -1 3 392.415 3.570 20 0 GHADHM Cc1sc(CCNc2nc(-c3nnn[n-]3)ccc2C)nc1-c1ccccc1 ZINC000826280564 608546058 /nfs/dbraw/zinc/54/60/58/608546058.db2.gz HBLQXGAPMVJKES-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM COCCN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000826159257 608567370 /nfs/dbraw/zinc/56/73/70/608567370.db2.gz ZCLXUCUEMKXSEY-LBPRGKRZSA-N -1 3 395.385 3.688 20 0 GHADHM O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826453491 608572355 /nfs/dbraw/zinc/57/23/55/608572355.db2.gz MTNYLMUEZJDEKJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826453491 608572357 /nfs/dbraw/zinc/57/23/57/608572357.db2.gz MTNYLMUEZJDEKJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CCC(CC)c1nnc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000825114884 608573153 /nfs/dbraw/zinc/57/31/53/608573153.db2.gz QVIPAEVVUCMIKQ-UHFFFAOYSA-N -1 3 377.861 3.528 20 0 GHADHM CCC(CC)c1nnc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000825114884 608573154 /nfs/dbraw/zinc/57/31/54/608573154.db2.gz QVIPAEVVUCMIKQ-UHFFFAOYSA-N -1 3 377.861 3.528 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H](C)C2CC2)cc1 ZINC000826209006 608575044 /nfs/dbraw/zinc/57/50/44/608575044.db2.gz JFOGTMYKFWZOLA-LBPRGKRZSA-N -1 3 397.866 3.974 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H](C)C2CC2)cc1 ZINC000826209006 608575046 /nfs/dbraw/zinc/57/50/46/608575046.db2.gz JFOGTMYKFWZOLA-LBPRGKRZSA-N -1 3 397.866 3.974 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2cc(Cl)ccc2O1 ZINC000824975378 608576710 /nfs/dbraw/zinc/57/67/10/608576710.db2.gz JYFRMEIDBKSDMH-VIFPVBQESA-N -1 3 390.230 3.601 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2cc(Cl)ccc2O1 ZINC000824975378 608576712 /nfs/dbraw/zinc/57/67/12/608576712.db2.gz JYFRMEIDBKSDMH-VIFPVBQESA-N -1 3 390.230 3.601 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826246694 608588969 /nfs/dbraw/zinc/58/89/69/608588969.db2.gz JOWZUFDRKFQQAB-HNNXBMFYSA-N -1 3 393.344 3.738 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826246694 608588972 /nfs/dbraw/zinc/58/89/72/608588972.db2.gz JOWZUFDRKFQQAB-HNNXBMFYSA-N -1 3 393.344 3.738 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1cccc(C)c1 ZINC000825797198 608668851 /nfs/dbraw/zinc/66/88/51/608668851.db2.gz YCLJWGYWGOQVSI-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1cccc(C)c1 ZINC000825797198 608668853 /nfs/dbraw/zinc/66/88/53/608668853.db2.gz YCLJWGYWGOQVSI-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825012091 608825261 /nfs/dbraw/zinc/82/52/61/608825261.db2.gz DHKJYNPMOIUEQH-OSTYMCCRSA-N -1 3 377.423 3.553 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825012091 608825264 /nfs/dbraw/zinc/82/52/64/608825264.db2.gz DHKJYNPMOIUEQH-OSTYMCCRSA-N -1 3 377.423 3.553 20 0 GHADHM FC(F)(F)c1cccnc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826369074 608858307 /nfs/dbraw/zinc/85/83/07/608858307.db2.gz LPVLNCQEQVBKII-UHFFFAOYSA-N -1 3 386.381 3.570 20 0 GHADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nc2ccccc2[nH]1 ZINC000824539166 609136413 /nfs/dbraw/zinc/13/64/13/609136413.db2.gz MENGSHMYZUWQAV-KPZWWZAWSA-N -1 3 379.443 3.930 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826420381 609139869 /nfs/dbraw/zinc/13/98/69/609139869.db2.gz KCXPZXDHZLHVKM-YFWYWMRJSA-N -1 3 391.500 3.663 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826420381 609139871 /nfs/dbraw/zinc/13/98/71/609139871.db2.gz KCXPZXDHZLHVKM-YFWYWMRJSA-N -1 3 391.500 3.663 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc(CF)cc1 ZINC000826405970 609239196 /nfs/dbraw/zinc/23/91/96/609239196.db2.gz BIUYUORHNMXQCY-UHFFFAOYSA-N -1 3 384.411 3.629 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc(CF)cc1 ZINC000826405970 609239197 /nfs/dbraw/zinc/23/91/97/609239197.db2.gz BIUYUORHNMXQCY-UHFFFAOYSA-N -1 3 384.411 3.629 20 0 GHADHM CCC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825241828 609242259 /nfs/dbraw/zinc/24/22/59/609242259.db2.gz AYBJQMOJXPKSDM-HXUWFJFHSA-N -1 3 392.507 3.781 20 0 GHADHM CCC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825241828 609242260 /nfs/dbraw/zinc/24/22/60/609242260.db2.gz AYBJQMOJXPKSDM-HXUWFJFHSA-N -1 3 392.507 3.781 20 0 GHADHM Cc1cc(C)cc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000826264227 609243106 /nfs/dbraw/zinc/24/31/06/609243106.db2.gz GNWCKJSBBGEGLX-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1cc(C)cc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000826264227 609243107 /nfs/dbraw/zinc/24/31/07/609243107.db2.gz GNWCKJSBBGEGLX-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000825792820 609283587 /nfs/dbraw/zinc/28/35/87/609283587.db2.gz DVTGVSLCCDPQIZ-UHFFFAOYSA-N -1 3 395.854 3.759 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000825792820 609283588 /nfs/dbraw/zinc/28/35/88/609283588.db2.gz DVTGVSLCCDPQIZ-UHFFFAOYSA-N -1 3 395.854 3.759 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826340138 609296019 /nfs/dbraw/zinc/29/60/19/609296019.db2.gz JFPWTWIHPLEWAG-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826340138 609296021 /nfs/dbraw/zinc/29/60/21/609296021.db2.gz JFPWTWIHPLEWAG-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454871 609300578 /nfs/dbraw/zinc/30/05/78/609300578.db2.gz OAYXXQHCPFLXOS-UHFFFAOYSA-N -1 3 387.802 3.700 20 0 GHADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454871 609300579 /nfs/dbraw/zinc/30/05/79/609300579.db2.gz OAYXXQHCPFLXOS-UHFFFAOYSA-N -1 3 387.802 3.700 20 0 GHADHM CC(C)Oc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824333360 609319392 /nfs/dbraw/zinc/31/93/92/609319392.db2.gz IGSRZJBLOQFNEJ-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM Cc1cccc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826298511 609331492 /nfs/dbraw/zinc/33/14/92/609331492.db2.gz WKQYFPJDCPSQCZ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cccc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826298511 609331494 /nfs/dbraw/zinc/33/14/94/609331494.db2.gz WKQYFPJDCPSQCZ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824992597 609348821 /nfs/dbraw/zinc/34/88/21/609348821.db2.gz MZOOGULOHRSNLM-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824992597 609348823 /nfs/dbraw/zinc/34/88/23/609348823.db2.gz MZOOGULOHRSNLM-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000825621149 609349877 /nfs/dbraw/zinc/34/98/77/609349877.db2.gz NQDGZDDNMHKKSY-VXGBXAGGSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000825621149 609349878 /nfs/dbraw/zinc/34/98/78/609349878.db2.gz NQDGZDDNMHKKSY-VXGBXAGGSA-N -1 3 383.427 3.901 20 0 GHADHM Cc1cnc([C@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000826318047 609352159 /nfs/dbraw/zinc/35/21/59/609352159.db2.gz TYYCKEITUYDQEV-ZDUSSCGKSA-N -1 3 391.387 3.873 20 0 GHADHM Cc1cnc([C@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000826318047 609352161 /nfs/dbraw/zinc/35/21/61/609352161.db2.gz TYYCKEITUYDQEV-ZDUSSCGKSA-N -1 3 391.387 3.873 20 0 GHADHM O=C(OCC[C@@H]1CCCC1=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826463299 609353383 /nfs/dbraw/zinc/35/33/83/609353383.db2.gz ZKZHQWDWPYJJNS-AWEZNQCLSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(OCC[C@@H]1CCCC1=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826463299 609353384 /nfs/dbraw/zinc/35/33/84/609353384.db2.gz ZKZHQWDWPYJJNS-AWEZNQCLSA-N -1 3 392.415 3.575 20 0 GHADHM COC(=O)[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1cccc(Cl)c1Cl ZINC000826117197 609376962 /nfs/dbraw/zinc/37/69/62/609376962.db2.gz JAZBPVUNDNPKPK-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1cccc(Cl)c1Cl ZINC000826117197 609376965 /nfs/dbraw/zinc/37/69/65/609376965.db2.gz JAZBPVUNDNPKPK-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184493 609378508 /nfs/dbraw/zinc/37/85/08/609378508.db2.gz VGONOKZEHPAJEC-JKSUJKDBSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184493 609378512 /nfs/dbraw/zinc/37/85/12/609378512.db2.gz VGONOKZEHPAJEC-JKSUJKDBSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@H]1F ZINC000824946346 609380423 /nfs/dbraw/zinc/38/04/23/609380423.db2.gz ISLIAIALCWOYFO-SCLBCKFNSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@H]1F ZINC000824946346 609380425 /nfs/dbraw/zinc/38/04/25/609380425.db2.gz ISLIAIALCWOYFO-SCLBCKFNSA-N -1 3 396.426 3.871 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825184258 609396586 /nfs/dbraw/zinc/39/65/86/609396586.db2.gz ROWYPOLXERAWEI-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825184258 609396588 /nfs/dbraw/zinc/39/65/88/609396588.db2.gz ROWYPOLXERAWEI-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1-c1nnn[n-]1 ZINC000826231233 609397612 /nfs/dbraw/zinc/39/76/12/609397612.db2.gz CNUMUEIKHOCREL-ODXCJYRJSA-N -1 3 398.536 3.513 20 0 GHADHM C[C@H](NC(=O)NC1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499884 609454747 /nfs/dbraw/zinc/45/47/47/609454747.db2.gz RVVOWKVENPHDQU-AWEZNQCLSA-N -1 3 376.464 3.837 20 0 GHADHM C[C@H](NC(=O)NC1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499884 609454749 /nfs/dbraw/zinc/45/47/49/609454749.db2.gz RVVOWKVENPHDQU-AWEZNQCLSA-N -1 3 376.464 3.837 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000826270236 609455229 /nfs/dbraw/zinc/45/52/29/609455229.db2.gz RJYUYRDUFJINMA-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000826270236 609455231 /nfs/dbraw/zinc/45/52/31/609455231.db2.gz RJYUYRDUFJINMA-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824763237 609471687 /nfs/dbraw/zinc/47/16/87/609471687.db2.gz LVYWPGVGZVWOKA-VIFPVBQESA-N -1 3 399.867 3.516 20 0 GHADHM C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824892113 609482585 /nfs/dbraw/zinc/48/25/85/609482585.db2.gz DQXMPMCANFWCPD-CXAGYDPISA-N -1 3 383.427 3.564 20 0 GHADHM C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824892113 609482588 /nfs/dbraw/zinc/48/25/88/609482588.db2.gz DQXMPMCANFWCPD-CXAGYDPISA-N -1 3 383.427 3.564 20 0 GHADHM C[C@H]1C[C@@H](CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824885860 609482994 /nfs/dbraw/zinc/48/29/94/609482994.db2.gz UICDGUAAFCFVRV-GJZGRUSLSA-N -1 3 397.454 3.812 20 0 GHADHM C[C@H]1C[C@@H](CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824885860 609482996 /nfs/dbraw/zinc/48/29/96/609482996.db2.gz UICDGUAAFCFVRV-GJZGRUSLSA-N -1 3 397.454 3.812 20 0 GHADHM C[C@H]1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824925063 609487113 /nfs/dbraw/zinc/48/71/13/609487113.db2.gz AJZSZPBHSCKMMN-IFXJQAMLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824925063 609487116 /nfs/dbraw/zinc/48/71/16/609487116.db2.gz AJZSZPBHSCKMMN-IFXJQAMLSA-N -1 3 377.448 3.820 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C12CCC(CC1)C2 ZINC000826456881 609489548 /nfs/dbraw/zinc/48/95/48/609489548.db2.gz CGPNTGZCCYKRLQ-UHFFFAOYSA-N -1 3 389.459 3.965 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C12CCC(CC1)C2 ZINC000826456881 609489551 /nfs/dbraw/zinc/48/95/51/609489551.db2.gz CGPNTGZCCYKRLQ-UHFFFAOYSA-N -1 3 389.459 3.965 20 0 GHADHM CC(C)OCCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824314530 609503643 /nfs/dbraw/zinc/50/36/43/609503643.db2.gz DJBGJKHSUASJNS-UHFFFAOYSA-N -1 3 382.420 3.770 20 0 GHADHM CC(C)OCCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824314530 609503645 /nfs/dbraw/zinc/50/36/45/609503645.db2.gz DJBGJKHSUASJNS-UHFFFAOYSA-N -1 3 382.420 3.770 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825180665 609504383 /nfs/dbraw/zinc/50/43/83/609504383.db2.gz ABZSHNRGTZBAHL-ROUUACIJSA-N -1 3 378.432 3.644 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825180665 609504385 /nfs/dbraw/zinc/50/43/85/609504385.db2.gz ABZSHNRGTZBAHL-ROUUACIJSA-N -1 3 378.432 3.644 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825252831 609508576 /nfs/dbraw/zinc/50/85/76/609508576.db2.gz KNUDNOALYLRNKN-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825252831 609508577 /nfs/dbraw/zinc/50/85/77/609508577.db2.gz KNUDNOALYLRNKN-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(SC(F)(F)F)cc1 ZINC000824722675 609512607 /nfs/dbraw/zinc/51/26/07/609512607.db2.gz KCSMYJFAHDVZGB-SECBINFHSA-N -1 3 395.366 3.792 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(SC(F)(F)F)cc1 ZINC000824722675 609512608 /nfs/dbraw/zinc/51/26/08/609512608.db2.gz KCSMYJFAHDVZGB-SECBINFHSA-N -1 3 395.366 3.792 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000826239006 609566870 /nfs/dbraw/zinc/56/68/70/609566870.db2.gz VWZRUURYVNHZTC-GFCCVEGCSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826239006 609566873 /nfs/dbraw/zinc/56/68/73/609566873.db2.gz VWZRUURYVNHZTC-GFCCVEGCSA-N -1 3 380.843 3.582 20 0 GHADHM C[C@@H]1C[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC(C)(C)C1 ZINC000824868855 609604677 /nfs/dbraw/zinc/60/46/77/609604677.db2.gz XCIXPEHOKCUQRL-BEFAXECRSA-N -1 3 379.508 3.945 20 0 GHADHM C[C@@H]1C[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824868855 609604679 /nfs/dbraw/zinc/60/46/79/609604679.db2.gz XCIXPEHOKCUQRL-BEFAXECRSA-N -1 3 379.508 3.945 20 0 GHADHM Fc1cccc([C@@H](NCc2ccc(F)c(-c3nnn[n-]3)c2)C(F)(F)F)c1F ZINC000826374515 609608548 /nfs/dbraw/zinc/60/85/48/609608548.db2.gz BTWPNKBKLNSSBO-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@@H](NCc2ccc(F)c(-c3nn[n-]n3)c2)C(F)(F)F)c1F ZINC000826374515 609608549 /nfs/dbraw/zinc/60/85/49/609608549.db2.gz BTWPNKBKLNSSBO-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1sccc1OC(F)F ZINC000826465346 609615133 /nfs/dbraw/zinc/61/51/33/609615133.db2.gz JBPNBBDNIIMQEF-UHFFFAOYSA-N -1 3 386.767 3.540 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1sccc1OC(F)F ZINC000826465346 609615134 /nfs/dbraw/zinc/61/51/34/609615134.db2.gz JBPNBBDNIIMQEF-UHFFFAOYSA-N -1 3 386.767 3.540 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(F)(c4cccnc4)CC3)nc2)n1 ZINC000376463284 837417881 /nfs/dbraw/zinc/41/78/81/837417881.db2.gz STYYCSGKZPFVOL-UHFFFAOYSA-N -1 3 379.439 3.667 20 0 GHADHM Cc1cncc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)c1 ZINC000176584924 837463222 /nfs/dbraw/zinc/46/32/22/837463222.db2.gz GVYMPDTVDOLVPJ-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000113443222 837467279 /nfs/dbraw/zinc/46/72/79/837467279.db2.gz RDEVQHUEMXYHBW-GBXCKJPGSA-N -1 3 392.499 3.577 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000113443219 837467511 /nfs/dbraw/zinc/46/75/11/837467511.db2.gz RDEVQHUEMXYHBW-RDPSFJRHSA-N -1 3 392.499 3.577 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000646957787 837508186 /nfs/dbraw/zinc/50/81/86/837508186.db2.gz KQKVVJXNJAWEGK-SFHVURJKSA-N -1 3 379.378 3.885 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccc(C)o2)C(F)(F)F)c1 ZINC000655659941 837553265 /nfs/dbraw/zinc/55/32/65/837553265.db2.gz FKICOGFLYNJQQP-OAHLLOKOSA-N -1 3 375.368 3.763 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000414385645 837563395 /nfs/dbraw/zinc/56/33/95/837563395.db2.gz FPBCFSVQPNFCLY-UHFFFAOYSA-N -1 3 388.386 3.813 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000151953439 837590619 /nfs/dbraw/zinc/59/06/19/837590619.db2.gz MKGUNXLLBLYTHI-UHFFFAOYSA-N -1 3 390.486 3.639 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)sc1C ZINC000173228485 837603603 /nfs/dbraw/zinc/60/36/03/837603603.db2.gz LEXKYQSKBLPZAM-UHFFFAOYSA-N -1 3 384.832 3.911 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)C2CCCCC2)cc1OC ZINC000510288088 837759546 /nfs/dbraw/zinc/75/95/46/837759546.db2.gz LTAKVAYGTOLOTK-CQSZACIVSA-N -1 3 397.541 3.889 20 0 GHADHM O=C(NCCc1cc2ccccc2s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000579748555 834525604 /nfs/dbraw/zinc/52/56/04/834525604.db2.gz CMOKBBCQYJFKOR-SFHVURJKSA-N -1 3 394.496 3.570 20 0 GHADHM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000611772829 834539746 /nfs/dbraw/zinc/53/97/46/834539746.db2.gz YLJZYCYSQSNWRE-LJQANCHMSA-N -1 3 375.472 3.677 20 0 GHADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000025089646 837791420 /nfs/dbraw/zinc/79/14/20/837791420.db2.gz ICOGEMXBPKMVBB-UHFFFAOYSA-N -1 3 397.378 3.742 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c1Cl ZINC000510046425 834634823 /nfs/dbraw/zinc/63/48/23/834634823.db2.gz TVHVKZDUVDGFOX-UHFFFAOYSA-N -1 3 398.271 3.830 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@H](c4ccncc4)C3)nc2)n1 ZINC000584451133 834652734 /nfs/dbraw/zinc/65/27/34/834652734.db2.gz LVEYNJANTSZSDB-ROUUACIJSA-N -1 3 377.448 3.534 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@@H](c4ccncc4)C3)nc2)n1 ZINC000584451134 834653594 /nfs/dbraw/zinc/65/35/94/834653594.db2.gz LVEYNJANTSZSDB-ZWKOTPCHSA-N -1 3 377.448 3.534 20 0 GHADHM O=C1CC2(CCCCC2)N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)N1 ZINC000583611114 834753693 /nfs/dbraw/zinc/75/36/93/834753693.db2.gz PFANBFZYHZDILF-UHFFFAOYSA-N -1 3 384.461 3.597 20 0 GHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000536085886 834756953 /nfs/dbraw/zinc/75/69/53/834756953.db2.gz ORDLMNMSJGWQMU-VIFPVBQESA-N -1 3 395.399 3.846 20 0 GHADHM CCc1cc2c(CNC3(c4noc(C)n4)CCCCC3)cc(=O)oc2cc1[O-] ZINC000138822847 834918515 /nfs/dbraw/zinc/91/85/15/834918515.db2.gz CJLNUKCNNSBDOA-UHFFFAOYSA-N -1 3 383.448 3.702 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(c2ccsc2)CC1 ZINC000547950661 837823073 /nfs/dbraw/zinc/82/30/73/837823073.db2.gz KIOVADPDBOHKTH-UHFFFAOYSA-N -1 3 382.489 3.633 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCCC(F)(F)F ZINC000536114211 834956105 /nfs/dbraw/zinc/95/61/05/834956105.db2.gz UXBSJYVYWMPKBQ-UHFFFAOYSA-N -1 3 392.321 3.748 20 0 GHADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1OCC1CCOCC1 ZINC000536139298 835109551 /nfs/dbraw/zinc/10/95/51/835109551.db2.gz DRWIUBHHYOLNAF-UHFFFAOYSA-N -1 3 397.397 3.927 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccccn2)cc1 ZINC000433343528 844029723 /nfs/dbraw/zinc/02/97/23/844029723.db2.gz NNDADGKOMLMCGC-SFHVURJKSA-N -1 3 375.407 3.514 20 0 GHADHM CS[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000511317202 835281583 /nfs/dbraw/zinc/28/15/83/835281583.db2.gz YPAHHPMWGPMMJH-HNNXBMFYSA-N -1 3 376.279 3.562 20 0 GHADHM COCc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000500826535 844038392 /nfs/dbraw/zinc/03/83/92/844038392.db2.gz YWTIZBHGAJLFJM-UHFFFAOYSA-N -1 3 378.432 3.626 20 0 GHADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509860560 844043704 /nfs/dbraw/zinc/04/37/04/844043704.db2.gz BRXUGCCXVDZHQH-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM CC(C)(NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(F)c1 ZINC000429941910 844047597 /nfs/dbraw/zinc/04/75/97/844047597.db2.gz BVIQYDFPNONHOC-UHFFFAOYSA-N -1 3 391.244 3.715 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429942886 844047761 /nfs/dbraw/zinc/04/77/61/844047761.db2.gz MPTHWYAAFAHWLI-JSGCOSHPSA-N -1 3 397.342 3.705 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC2(C1)CCCCC2 ZINC000563831225 835390386 /nfs/dbraw/zinc/39/03/86/835390386.db2.gz PUMKWHXZNRAHOS-UHFFFAOYSA-N -1 3 375.266 3.697 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000151454116 835442405 /nfs/dbraw/zinc/44/24/05/835442405.db2.gz ZRZOGZUYDZVYHM-ZDUSSCGKSA-N -1 3 382.404 3.905 20 0 GHADHM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000433366387 844054642 /nfs/dbraw/zinc/05/46/42/844054642.db2.gz OAHAXLHLVXTUEF-UHFFFAOYSA-N -1 3 397.846 3.580 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000151499808 835470672 /nfs/dbraw/zinc/47/06/72/835470672.db2.gz LARVOEZEQQLITK-QHCPKHFHSA-N -1 3 389.451 3.902 20 0 GHADHM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000728582543 835479361 /nfs/dbraw/zinc/47/93/61/835479361.db2.gz QIPMYISEVZYZQX-LLVKDONJSA-N -1 3 377.359 3.590 20 0 GHADHM COCCCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151525961 835492531 /nfs/dbraw/zinc/49/25/31/835492531.db2.gz DAQNSHHRTVMWHX-UHFFFAOYSA-N -1 3 394.265 3.500 20 0 GHADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2cccs2)n1 ZINC000728603135 835530520 /nfs/dbraw/zinc/53/05/20/835530520.db2.gz URDXBQYHIHBGJQ-UHFFFAOYSA-N -1 3 394.460 3.760 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)c([O-])c1 ZINC000536206310 835535555 /nfs/dbraw/zinc/53/55/55/835535555.db2.gz WTIWTISRNCSSPS-UHFFFAOYSA-N -1 3 392.411 3.892 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000151632369 835677234 /nfs/dbraw/zinc/67/72/34/835677234.db2.gz CXTVHYOHRFPRQS-GHMZBOCLSA-N -1 3 382.204 3.853 20 0 GHADHM CC(C)C[C@H](CNCc1cn(-c2ccc(Cl)cc2Cl)nn1)CC(=O)[O-] ZINC000276938451 844090706 /nfs/dbraw/zinc/09/07/06/844090706.db2.gz CGKOALBLSAWXAD-LBPRGKRZSA-N -1 3 385.295 3.801 20 0 GHADHM CCN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)[C@H](C)c1cccnc1 ZINC000429972307 844123642 /nfs/dbraw/zinc/12/36/42/844123642.db2.gz LURNEOMTPISVRY-GFCCVEGCSA-N -1 3 388.269 3.529 20 0 GHADHM O=C(NC1(CF)CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000569815220 836030442 /nfs/dbraw/zinc/03/04/42/836030442.db2.gz ZHXNDQLSJXGSMT-UHFFFAOYSA-N -1 3 387.636 3.566 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429970681 844123773 /nfs/dbraw/zinc/12/37/73/844123773.db2.gz CBLYDCKVALCPHW-HNNXBMFYSA-N -1 3 388.269 3.529 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCO[C@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000548480533 844129654 /nfs/dbraw/zinc/12/96/54/844129654.db2.gz VVGPBXBYSMGELR-HKUYNNGSSA-N -1 3 384.480 3.873 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2n1C)c1nc(C2CCCCC2)no1 ZINC000655526585 836185116 /nfs/dbraw/zinc/18/51/16/836185116.db2.gz BVAYKOWGQZNFMA-CYBMUJFWSA-N -1 3 388.493 3.649 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)[N-]NC(=O)NC2CCCC2)c(C)c1 ZINC000065919943 836224110 /nfs/dbraw/zinc/22/41/10/836224110.db2.gz DRGCIZLYXMRNEA-UHFFFAOYSA-N -1 3 384.505 3.736 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc([C@@H]2CCCO2)n1 ZINC000154982673 836242362 /nfs/dbraw/zinc/24/23/62/836242362.db2.gz TVZOICDEPZGZOD-AWEZNQCLSA-N -1 3 389.868 3.540 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000173812477 836306815 /nfs/dbraw/zinc/30/68/15/836306815.db2.gz MCJAFQGKKCCUEQ-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM Cc1nc(-c2ccc(N[C@H](CO)c3cccc(Cl)c3F)nc2)[n-]c(=O)c1C ZINC000513047802 844161598 /nfs/dbraw/zinc/16/15/98/844161598.db2.gz VPVFOFREEHZJBW-OAHLLOKOSA-N -1 3 388.830 3.799 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(N2CCCC2)c1 ZINC000612642213 836531730 /nfs/dbraw/zinc/53/17/30/836531730.db2.gz DTAGITSFZRXXMG-UHFFFAOYSA-N -1 3 375.266 3.685 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)sc1Br ZINC000433442384 844175448 /nfs/dbraw/zinc/17/54/48/844175448.db2.gz GUIPHISGOJISGV-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(N)nc(Cl)c3)nc(=O)c2c1C ZINC000728627249 836767667 /nfs/dbraw/zinc/76/76/67/836767667.db2.gz VGSJCVCXYAVVDK-SSDOTTSWSA-N -1 3 378.841 3.562 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)ccc1Cl ZINC000655579794 836787856 /nfs/dbraw/zinc/78/78/56/836787856.db2.gz YOTLOPFXEHUIKL-QGZVFWFLSA-N -1 3 380.897 3.834 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2Br)CC1 ZINC000431686480 836812436 /nfs/dbraw/zinc/81/24/36/836812436.db2.gz QXVLORDCLWFBCU-UHFFFAOYSA-N -1 3 398.264 3.591 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2Br)CC1 ZINC000431686480 836812440 /nfs/dbraw/zinc/81/24/40/836812440.db2.gz QXVLORDCLWFBCU-UHFFFAOYSA-N -1 3 398.264 3.591 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCCC2(CCC2)C1 ZINC000473334107 844208824 /nfs/dbraw/zinc/20/88/24/844208824.db2.gz SLALBTQJJPABGD-UHFFFAOYSA-N -1 3 375.266 3.697 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(-c2cn3cccnc3n2)cc1 ZINC000430370099 836840687 /nfs/dbraw/zinc/84/06/87/836840687.db2.gz RDXFGLJBIXMYCW-UHFFFAOYSA-N -1 3 396.447 3.953 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc2s1 ZINC000612893522 836935049 /nfs/dbraw/zinc/93/50/49/836935049.db2.gz VDRQTFBBXYCHKK-SGTLLEGYSA-N -1 3 378.519 3.742 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000685903146 836970646 /nfs/dbraw/zinc/97/06/46/836970646.db2.gz WGPLLOCZOQQNCZ-UHFFFAOYSA-N -1 3 395.475 3.822 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cn(-c2ccccc2)nn1 ZINC000134247159 836994091 /nfs/dbraw/zinc/99/40/91/836994091.db2.gz DXBQWMWGDGIDCQ-UHFFFAOYSA-N -1 3 382.836 3.692 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(F)cc1F ZINC000175789197 837005476 /nfs/dbraw/zinc/00/54/76/837005476.db2.gz WKDITHUPIXFQON-HNAYVOBHSA-N -1 3 381.444 3.719 20 0 GHADHM CCN(Cc1occc1C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000413988315 837019209 /nfs/dbraw/zinc/01/92/09/837019209.db2.gz YQCYUUHMHFJPNL-UHFFFAOYSA-N -1 3 383.404 3.505 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175866973 837037512 /nfs/dbraw/zinc/03/75/12/837037512.db2.gz VDKAQUWDIBDVGY-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])CC(F)(F)F ZINC000414000420 837059243 /nfs/dbraw/zinc/05/92/43/837059243.db2.gz DZVRBWUNVXTVQY-LLVKDONJSA-N -1 3 399.369 3.649 20 0 GHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCCC4)ccc21 ZINC000650217972 837160903 /nfs/dbraw/zinc/16/09/03/837160903.db2.gz IVFZYXJLLNAUAP-UHFFFAOYSA-N -1 3 384.501 3.665 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000471305162 837177655 /nfs/dbraw/zinc/17/76/55/837177655.db2.gz XKSSBUMTZLBRCO-UHFFFAOYSA-N -1 3 385.420 3.545 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1(C)CC1 ZINC000176248362 837233384 /nfs/dbraw/zinc/23/33/84/837233384.db2.gz BFCDTYQINJCUDY-AWEZNQCLSA-N -1 3 390.480 3.887 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(-c2c(F)cccc2F)n1 ZINC000176283484 837252277 /nfs/dbraw/zinc/25/22/77/837252277.db2.gz OORIRZQUDJHHOT-UHFFFAOYSA-N -1 3 375.335 3.522 20 0 GHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000063147348 844253626 /nfs/dbraw/zinc/25/36/26/844253626.db2.gz MDNIFNGEPFZMDJ-UHFFFAOYSA-N -1 3 384.860 3.762 20 0 GHADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000510273891 837296244 /nfs/dbraw/zinc/29/62/44/837296244.db2.gz OALVAGPPCQPURW-UHFFFAOYSA-N -1 3 386.411 3.508 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC12CC2)c1c(Cl)cccc1Br ZINC000706201690 837983431 /nfs/dbraw/zinc/98/34/31/837983431.db2.gz MLZKDWDIMHJSRT-JTQLQIEISA-N -1 3 378.719 3.961 20 0 GHADHM CC[C@H](c1ccccc1)N(CCCS(=O)(=O)c1ccc(F)cc1)CC(=O)[O-] ZINC000584541389 838154309 /nfs/dbraw/zinc/15/43/09/838154309.db2.gz GHCKKXQDCXOFCL-LJQANCHMSA-N -1 3 393.480 3.527 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1Cc3ccccc3C[C@@H]1c1ccccc1)c2[O-] ZINC000182082528 838321960 /nfs/dbraw/zinc/32/19/60/838321960.db2.gz AWHOYSOHGQBWNQ-HXUWFJFHSA-N -1 3 384.439 3.614 20 0 GHADHM CC(C)C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)CC(=O)[O-] ZINC000659398569 838356700 /nfs/dbraw/zinc/35/67/00/838356700.db2.gz VHDWWNKPFSNZLB-ICSRJNTNSA-N -1 3 389.540 3.650 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(SC)ccc3Cl)nc21 ZINC000178934656 838501059 /nfs/dbraw/zinc/50/10/59/838501059.db2.gz GMIAJVXCCVEWBD-UHFFFAOYSA-N -1 3 375.837 3.977 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000179398825 838542095 /nfs/dbraw/zinc/54/20/95/838542095.db2.gz MVHMGBKVMZTRNV-CYBMUJFWSA-N -1 3 379.416 3.774 20 0 GHADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cccs1 ZINC000179443645 838543431 /nfs/dbraw/zinc/54/34/31/838543431.db2.gz WOJAYGBXVAEXBW-OAHLLOKOSA-N -1 3 385.445 3.884 20 0 GHADHM C[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H]1C ZINC000180122138 838560795 /nfs/dbraw/zinc/56/07/95/838560795.db2.gz GJCUVRNYIFYKPB-WWMYMODYSA-N -1 3 380.488 3.758 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc1 ZINC000656043691 838565982 /nfs/dbraw/zinc/56/59/82/838565982.db2.gz AZNAJIAQTJBHNG-IAOVAPTHSA-N -1 3 391.493 3.702 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3(C)C)c2)n1 ZINC000275756094 838707405 /nfs/dbraw/zinc/70/74/05/838707405.db2.gz YZWNCBMKBPNBJU-SUMWQHHRSA-N -1 3 381.476 3.992 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C)c1 ZINC000182863904 838836088 /nfs/dbraw/zinc/83/60/88/838836088.db2.gz XWUKNWQDILVTSK-CYBMUJFWSA-N -1 3 391.427 3.528 20 0 GHADHM Cc1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182897498 838851729 /nfs/dbraw/zinc/85/17/29/838851729.db2.gz CQOGPVQYPOVIDZ-JOCHJYFZSA-N -1 3 388.467 3.878 20 0 GHADHM Cc1ccccc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182897476 838851752 /nfs/dbraw/zinc/85/17/52/838851752.db2.gz CQOGPVQYPOVIDZ-QFIPXVFZSA-N -1 3 388.467 3.878 20 0 GHADHM COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000416272310 838858288 /nfs/dbraw/zinc/85/82/88/838858288.db2.gz VLOCQTYCNQPDBO-MRXNPFEDSA-N -1 3 384.476 3.550 20 0 GHADHM CCOc1cc(-c2ccccc2)sc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213625 838921352 /nfs/dbraw/zinc/92/13/52/838921352.db2.gz VPOLQWUQTOIITA-UHFFFAOYSA-N -1 3 381.457 3.902 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(C)nc3Cl)c2)n1 ZINC000377069549 838958369 /nfs/dbraw/zinc/95/83/69/838958369.db2.gz BYUKHJPAZRPBBZ-UHFFFAOYSA-N -1 3 382.851 3.950 20 0 GHADHM O=S(=O)([N-]C[C@H]1COc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000580239753 839101466 /nfs/dbraw/zinc/10/14/66/839101466.db2.gz NRVOJTGHKZOLMP-JTQLQIEISA-N -1 3 391.798 3.813 20 0 GHADHM O=c1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c2ccc([O-])cc2o1 ZINC000182822243 839161226 /nfs/dbraw/zinc/16/12/26/839161226.db2.gz LQEWLHIEXCFWTM-CYBMUJFWSA-N -1 3 393.365 3.551 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccco1 ZINC000416433787 839210962 /nfs/dbraw/zinc/21/09/62/839210962.db2.gz QXASZZOTRSDPQB-FQEVSTJZSA-N -1 3 393.505 3.504 20 0 GHADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000152691298 839261845 /nfs/dbraw/zinc/26/18/45/839261845.db2.gz YEPUMZSURWECIA-BBRMVZONSA-N -1 3 389.293 3.989 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4c(C)cc(=O)[nH]c4c3)cc2)n1 ZINC000377298665 839263834 /nfs/dbraw/zinc/26/38/34/839263834.db2.gz GSTXKJLLTPIUMA-UHFFFAOYSA-N -1 3 386.411 3.560 20 0 GHADHM COC(=O)c1ccc(OC(C)C)c([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c1 ZINC000610424852 839279888 /nfs/dbraw/zinc/27/98/88/839279888.db2.gz NTJBQGCKMLWHNN-UHFFFAOYSA-N -1 3 399.378 3.702 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cn1C ZINC000416488720 839303470 /nfs/dbraw/zinc/30/34/70/839303470.db2.gz NQOFKLYGNAFZOW-CQSZACIVSA-N -1 3 389.443 3.558 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1C(C)C ZINC000683924520 839476462 /nfs/dbraw/zinc/47/64/62/839476462.db2.gz MIWMDGKTYWZIQP-UHFFFAOYSA-N -1 3 388.533 3.916 20 0 GHADHM O=c1[n-]c(CN2CCC(OC3CCCCC3)CC2)nc2c3ccccc3oc21 ZINC000125560303 839526323 /nfs/dbraw/zinc/52/63/23/839526323.db2.gz WUVUQGYRGKKQJI-UHFFFAOYSA-N -1 3 381.476 3.983 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1cccc(Cl)c1 ZINC000462707750 839534505 /nfs/dbraw/zinc/53/45/05/839534505.db2.gz SBFIDDOIGGUXPZ-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM CC(C)c1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(F)cc1 ZINC000129237235 844447946 /nfs/dbraw/zinc/44/79/46/844447946.db2.gz SNVROZZUSATFQI-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(F)cc1 ZINC000129237235 844447953 /nfs/dbraw/zinc/44/79/53/844447953.db2.gz SNVROZZUSATFQI-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1sc2ccccc2c1Br ZINC000580491307 839672974 /nfs/dbraw/zinc/67/29/74/839672974.db2.gz JRIGUMCTEWDMPU-NSHDSACASA-N -1 3 392.278 3.913 20 0 GHADHM [O-]c1cc(Br)cnc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000892953833 839697061 /nfs/dbraw/zinc/69/70/61/839697061.db2.gz LCPBLYAOKYWIAA-UHFFFAOYSA-N -1 3 397.700 3.999 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(Cl)cc1Cl ZINC000031815469 839857539 /nfs/dbraw/zinc/85/75/39/839857539.db2.gz PREHOGOVJDYKEW-UHFFFAOYSA-N -1 3 391.258 3.788 20 0 GHADHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000193827284 840190139 /nfs/dbraw/zinc/19/01/39/840190139.db2.gz HQLGUCIXIRXCSV-UHFFFAOYSA-N -1 3 380.809 3.814 20 0 GHADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023763091 840254225 /nfs/dbraw/zinc/25/42/25/840254225.db2.gz SGPMWYIIOBKEKL-UONOGXRCSA-N -1 3 384.505 3.905 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1coc(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000931314481 840341842 /nfs/dbraw/zinc/34/18/42/840341842.db2.gz BRYSJGHDTYTJFM-UHFFFAOYSA-N -1 3 376.338 3.680 20 0 GHADHM Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000194840672 840358251 /nfs/dbraw/zinc/35/82/51/840358251.db2.gz QAVMJPMSSAHTFI-UHFFFAOYSA-N -1 3 398.400 3.757 20 0 GHADHM O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001126348157 844544086 /nfs/dbraw/zinc/54/40/86/844544086.db2.gz RAPSZYNXGIEOIZ-UHFFFAOYSA-N -1 3 395.846 3.574 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1csc(-c2ccccc2)n1 ZINC000500430498 840581219 /nfs/dbraw/zinc/58/12/19/840581219.db2.gz VOEHJPTVHYDVPS-UHFFFAOYSA-N -1 3 396.440 3.890 20 0 GHADHM O=C([O-])[C@H](CSCc1cccc2cccnc21)NCc1ccc(F)cc1F ZINC000581048170 840635616 /nfs/dbraw/zinc/63/56/16/840635616.db2.gz NRVDFCPKPRCGMP-SFHVURJKSA-N -1 3 388.439 3.989 20 0 GHADHM CSc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000048245490 840694741 /nfs/dbraw/zinc/69/47/41/840694741.db2.gz VBSQHUUYICRLHL-UHFFFAOYSA-N -1 3 394.518 3.576 20 0 GHADHM CSc1ccccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048246128 840704617 /nfs/dbraw/zinc/70/46/17/840704617.db2.gz RQUSHTRMCCZNRS-UHFFFAOYSA-N -1 3 394.518 3.576 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000581115598 840738991 /nfs/dbraw/zinc/73/89/91/840738991.db2.gz HYLGKZRHYGBFFO-WBVHZDCISA-N -1 3 387.277 3.551 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3ccn(-c4ccccc4)n3)cc(=O)oc12 ZINC000053257708 840744678 /nfs/dbraw/zinc/74/46/78/840744678.db2.gz JZVBESGBUNECHJ-UHFFFAOYSA-N -1 3 375.428 3.625 20 0 GHADHM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000575327801 844574214 /nfs/dbraw/zinc/57/42/14/844574214.db2.gz BFUJPWMJYCARNA-UHFFFAOYSA-N -1 3 391.475 3.724 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1Cc2ccccc2S1 ZINC000610485683 840863288 /nfs/dbraw/zinc/86/32/88/840863288.db2.gz YWEXBXPUEOFZJZ-AWEZNQCLSA-N -1 3 397.237 3.652 20 0 GHADHM Cc1cn2ccnc(C(=O)[N-]c3nnc(-c4c(F)cccc4Cl)s3)c2n1 ZINC000432175587 840924653 /nfs/dbraw/zinc/92/46/53/840924653.db2.gz IWVZNPDRBUOAMC-UHFFFAOYSA-N -1 3 388.815 3.601 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1CSc2ccccc21 ZINC000610490458 840953359 /nfs/dbraw/zinc/95/33/59/840953359.db2.gz AQKSXXOSKQEROV-LLVKDONJSA-N -1 3 397.237 3.825 20 0 GHADHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000067138914 840969525 /nfs/dbraw/zinc/96/95/25/840969525.db2.gz 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ZINC000431956675 841052777 /nfs/dbraw/zinc/05/27/77/841052777.db2.gz DLLLVUJXRPICMW-UHFFFAOYSA-N -1 3 387.779 3.552 20 0 GHADHM CCOC[C@H](NCc1ccc(Br)cc1SC(C)C)C(=O)[O-] ZINC000417599679 841055712 /nfs/dbraw/zinc/05/57/12/841055712.db2.gz DYVRXEWSEFVHQI-ZDUSSCGKSA-N -1 3 376.316 3.529 20 0 GHADHM COC(C)(C)C[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184009721 841093798 /nfs/dbraw/zinc/09/37/98/841093798.db2.gz JRXCPQCBRSEXLB-OXJNMPFZSA-N -1 3 398.503 3.573 20 0 GHADHM Cc1cc(CNCc2cc(Br)c3c(c2)OCCO3)ccc1C(=O)[O-] ZINC000417665248 841114329 /nfs/dbraw/zinc/11/43/29/841114329.db2.gz CBKWTFPUHYJMFV-UHFFFAOYSA-N -1 3 392.249 3.517 20 0 GHADHM COc1cc(-c2ccccc2)ccc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417670721 841118552 /nfs/dbraw/zinc/11/85/52/841118552.db2.gz WNLQDYBAQKVRNP-SFHVURJKSA-N -1 3 385.460 3.637 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ccccn3)nc(=O)c2c1C ZINC000022187156 841137408 /nfs/dbraw/zinc/13/74/08/841137408.db2.gz HUVHVGDRCCFGJE-JTQLQIEISA-N -1 3 375.475 3.718 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@H]2CCC[C@@H]21 ZINC000430575171 841206744 /nfs/dbraw/zinc/20/67/44/841206744.db2.gz UTNBYCZRAQMFFX-OTYXRUKQSA-N -1 3 395.684 3.959 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000044259987 841258296 /nfs/dbraw/zinc/25/82/96/841258296.db2.gz BOLIZJPWAOVBHF-UHFFFAOYSA-N -1 3 376.331 3.604 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000647705186 841394107 /nfs/dbraw/zinc/39/41/07/841394107.db2.gz RZTZMFLXNNWIPU-BZUAXINKSA-N -1 3 383.492 3.623 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000730615640 861197887 /nfs/dbraw/zinc/19/78/87/861197887.db2.gz XNLFRHAYZQJUFT-NWDGAFQWSA-N -1 3 398.267 3.658 20 0 GHADHM COCc1csc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000656565281 841416188 /nfs/dbraw/zinc/41/61/88/841416188.db2.gz KDRQUYNRVIETAE-OAHLLOKOSA-N -1 3 384.295 3.963 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(Cl)cc3C)c2)n1 ZINC000049301742 841498351 /nfs/dbraw/zinc/49/83/51/841498351.db2.gz AYWGCCGOYZTMNS-UHFFFAOYSA-N -1 3 397.862 3.979 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(OC)cc3)c2)n1 ZINC000049301872 841499430 /nfs/dbraw/zinc/49/94/30/841499430.db2.gz KUAZCWKFXCDUNJ-UHFFFAOYSA-N -1 3 377.444 3.579 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3ccc(C)s3)c2)n1 ZINC000049303514 841502029 /nfs/dbraw/zinc/50/20/29/841502029.db2.gz XGFQISDZUWWYJI-UHFFFAOYSA-N -1 3 395.484 3.971 20 0 GHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000625219962 861222317 /nfs/dbraw/zinc/22/23/17/861222317.db2.gz KMAMBEMBRGWKND-UHFFFAOYSA-N -1 3 390.196 3.516 20 0 GHADHM CC(C)(C)CN(CCO)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000662828317 841713122 /nfs/dbraw/zinc/71/31/22/841713122.db2.gz IXBIOTQRYFUGMC-UHFFFAOYSA-N -1 3 389.496 3.631 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2sc(C)cc2Br)o1 ZINC000581584012 841717866 /nfs/dbraw/zinc/71/78/66/841717866.db2.gz TYGGWSQMXCVGDQ-UHFFFAOYSA-N -1 3 393.328 3.546 20 0 GHADHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000511889303 841732710 /nfs/dbraw/zinc/73/27/10/841732710.db2.gz BKNPYYVMTFHEMA-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)c1 ZINC001211655958 841858741 /nfs/dbraw/zinc/85/87/41/841858741.db2.gz FOHORSOWJQZQOE-SFHVURJKSA-N -1 3 397.443 3.817 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1c(C)noc1C ZINC000119312341 841904392 /nfs/dbraw/zinc/90/43/92/841904392.db2.gz OYHIJDPLLCRXPE-VIFPVBQESA-N -1 3 379.301 3.545 20 0 GHADHM Cc1sc2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)[n-]c(=O)c2c1C ZINC000581656078 841906274 /nfs/dbraw/zinc/90/62/74/841906274.db2.gz KSWFZODIEHPTCI-UHFFFAOYSA-N -1 3 377.416 3.796 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000097207213 842037382 /nfs/dbraw/zinc/03/73/82/842037382.db2.gz CHKYUEURMLQEFV-UHFFFAOYSA-N -1 3 394.302 3.817 20 0 GHADHM CN(C)c1nc(C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000559024034 842118140 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COc1ccc(-c2nc([N-]C(=O)c3coc(C4CCCCC4)n3)n[nH]2)c(OC)c1 ZINC000548273282 842357171 /nfs/dbraw/zinc/35/71/71/842357171.db2.gz LKJFBWIGBZXLGP-UHFFFAOYSA-N -1 3 397.435 3.777 20 0 GHADHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1OC ZINC000652373349 842390106 /nfs/dbraw/zinc/39/01/06/842390106.db2.gz RMYRUUMGZOZAPF-KRWDZBQOSA-N -1 3 383.366 3.980 20 0 GHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656962417 842511850 /nfs/dbraw/zinc/51/18/50/842511850.db2.gz CGPXXENBFSMJGY-LURJTMIESA-N -1 3 380.613 3.722 20 0 GHADHM O=C([O-])[C@@H](c1cccnc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000652435517 842537704 /nfs/dbraw/zinc/53/77/04/842537704.db2.gz NZFJLUUJBGYBPM-QGZVFWFLSA-N -1 3 391.265 3.513 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC(C)C ZINC000512144569 842636772 /nfs/dbraw/zinc/63/67/72/842636772.db2.gz GIMRDTPSIPFVFD-HNNXBMFYSA-N -1 3 396.336 3.779 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027688536 842640263 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Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnn(C(C)C)c3)cc2)cc1 ZINC000188380956 842921165 /nfs/dbraw/zinc/92/11/65/842921165.db2.gz IMCAADXZHRGDQP-UHFFFAOYSA-N -1 3 398.488 3.826 20 0 GHADHM COc1ccc(-c2nc(Cc3noc(-c4cccc(OC)c4[O-])n3)co2)cc1 ZINC000184839442 842976179 /nfs/dbraw/zinc/97/61/79/842976179.db2.gz WZZFKMBYBVPTBZ-UHFFFAOYSA-N -1 3 379.372 3.705 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1F ZINC000471870119 843065362 /nfs/dbraw/zinc/06/53/62/843065362.db2.gz MEVSFMWMVDZNQG-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM COc1ccccc1[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000730995655 861396958 /nfs/dbraw/zinc/39/69/58/861396958.db2.gz HWHGQTULGNJOJC-GFCAVMEOSA-N -1 3 384.435 3.685 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cccc2c1OCCO2 ZINC000535654755 843275562 /nfs/dbraw/zinc/27/55/62/843275562.db2.gz ISLAVYKOKPLIRV-UHFFFAOYSA-N -1 3 393.770 3.931 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2Cl)C1)c1cccnc1C(F)(F)F ZINC000549602624 843320016 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O=S(=O)([N-]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(Cl)nc1Cl ZINC000178581332 843461776 /nfs/dbraw/zinc/46/17/76/843461776.db2.gz YGSSFUOOSCCWMD-CQSZACIVSA-N -1 3 397.283 3.554 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(F)c3)nc(=O)c2c1C ZINC000005071244 843465285 /nfs/dbraw/zinc/46/52/85/843465285.db2.gz NKTCVXDHJPNLQY-XFFZJAGNSA-N -1 3 378.812 3.956 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000091924892 843468756 /nfs/dbraw/zinc/46/87/56/843468756.db2.gz KLNQYHGGWXXDML-UHFFFAOYSA-N -1 3 396.821 3.605 20 0 GHADHM CC(=O)N(c1nc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cs1)C1CC1 ZINC000432692798 843500597 /nfs/dbraw/zinc/50/05/97/843500597.db2.gz FYOFETMTSBJGQZ-FOWTUZBSSA-N -1 3 392.484 3.937 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(N2CCCCCC2)c1)c1ccc(Cl)cc1F ZINC000500524429 843592838 /nfs/dbraw/zinc/59/28/38/843592838.db2.gz GVSFKKLFIWZCEL-UHFFFAOYSA-N -1 3 397.903 3.733 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@@H]2CCCC[C@H]2C)[nH][n-]1 ZINC000500566678 843651523 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GHADHM CC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1nc(C(F)(F)F)cs1 ZINC000433668678 845175428 /nfs/dbraw/zinc/17/54/28/845175428.db2.gz ZHFCXEMCTCYAIJ-MRVPVSSYSA-N -1 3 385.458 3.665 20 0 GHADHM CC(C)(c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000433689751 845215263 /nfs/dbraw/zinc/21/52/63/845215263.db2.gz QOCZEPNVTCKZFY-UHFFFAOYSA-N -1 3 389.381 3.883 20 0 GHADHM CC(C)(c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000433689751 845215277 /nfs/dbraw/zinc/21/52/77/845215277.db2.gz QOCZEPNVTCKZFY-UHFFFAOYSA-N -1 3 389.381 3.883 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cs2)c(OC)c1 ZINC000262080840 845231268 /nfs/dbraw/zinc/23/12/68/845231268.db2.gz FFSOKYYEAQNMHO-RNODOKPDSA-N -1 3 388.489 3.514 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)c2ncccc12 ZINC000513336028 845259275 /nfs/dbraw/zinc/25/92/75/845259275.db2.gz MEGPKJGSHXWSAD-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000277273079 845484777 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COC(=O)[C@H](CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422035429 846764129 /nfs/dbraw/zinc/76/41/29/846764129.db2.gz GUPJGXWQDTXPTI-OTWHNJEPSA-N -1 3 399.462 3.563 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(Cl)n(C)nc3C(C)C)cc2)n1 ZINC000152376861 846826051 /nfs/dbraw/zinc/82/60/51/846826051.db2.gz MNIIXFQZWCRLEK-UHFFFAOYSA-N -1 3 385.855 3.508 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)cc2)n1 ZINC000152378834 846827562 /nfs/dbraw/zinc/82/75/62/846827562.db2.gz LAVZJYOLQOVSDV-RDJZCZTQSA-N -1 3 381.382 3.766 20 0 GHADHM CCc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2c(CC(C)(C)C)noc2n1 ZINC000503176854 846876228 /nfs/dbraw/zinc/87/62/28/846876228.db2.gz HOEJTCIXWUQSJJ-UHFFFAOYSA-N -1 3 396.373 3.763 20 0 GHADHM CCc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2c(CC(C)(C)C)noc2n1 ZINC000503176854 846876236 /nfs/dbraw/zinc/87/62/36/846876236.db2.gz HOEJTCIXWUQSJJ-UHFFFAOYSA-N -1 3 396.373 3.763 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3c(F)cccc3F)nc(=O)c2c1C ZINC000271776405 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396.531 3.754 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)c(C)c1 ZINC000501856506 847279728 /nfs/dbraw/zinc/27/97/28/847279728.db2.gz JOJKIPJMTUZOHP-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)c2)c1C ZINC000501861790 847286207 /nfs/dbraw/zinc/28/62/07/847286207.db2.gz LQXWSYCAOKUXOF-UHFFFAOYSA-N -1 3 390.447 3.990 20 0 GHADHM CCSc1nccnc1-c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000582456729 847290682 /nfs/dbraw/zinc/29/06/82/847290682.db2.gz HOSGQNOBFFHEBK-UHFFFAOYSA-N -1 3 379.804 3.683 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000029048110 861780415 /nfs/dbraw/zinc/78/04/15/861780415.db2.gz QPFFIIXAMKLZEE-UHFFFAOYSA-N -1 3 377.462 3.617 20 0 GHADHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000420726384 847401898 /nfs/dbraw/zinc/40/18/98/847401898.db2.gz NBDSZUWANOKOQU-ZIAGYGMSSA-N -1 3 386.926 3.699 20 0 GHADHM Nc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000048017240 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ZINC000731896010 861943264 /nfs/dbraw/zinc/94/32/64/861943264.db2.gz AXHOABCADIFEJN-UHFFFAOYSA-N -1 3 385.423 3.811 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)Nc1ccccc1Sc1ccccc1 ZINC000731916717 861958524 /nfs/dbraw/zinc/95/85/24/861958524.db2.gz ZJYPZFXESSQJIR-UHFFFAOYSA-N -1 3 380.425 3.734 20 0 GHADHM CN(C)C(=C([O-])Nc1nc(-c2ccccc2)ns1)c1c(F)cccc1Cl ZINC000583234140 849397510 /nfs/dbraw/zinc/39/75/10/849397510.db2.gz NNUKKHSIANYYMC-HNNXBMFYSA-N -1 3 390.871 3.661 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000535991379 849596907 /nfs/dbraw/zinc/59/69/07/849596907.db2.gz YYTBMPBHEZTQDG-UHFFFAOYSA-N -1 3 384.443 3.512 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000535991379 849596909 /nfs/dbraw/zinc/59/69/09/849596909.db2.gz YYTBMPBHEZTQDG-UHFFFAOYSA-N -1 3 384.443 3.512 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1c(C)noc1C ZINC000536002371 849705491 /nfs/dbraw/zinc/70/54/91/849705491.db2.gz IXXKFJBXJYARLY-AWEZNQCLSA-N -1 3 377.491 3.845 20 0 GHADHM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000156250457 849807076 /nfs/dbraw/zinc/80/70/76/849807076.db2.gz FANFVLVRTLQKHP-GHMZBOCLSA-N -1 3 393.336 3.765 20 0 GHADHM O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503973556 849810030 /nfs/dbraw/zinc/81/00/30/849810030.db2.gz GUQMRFVYIFYVPY-UHFFFAOYSA-N -1 3 376.391 3.606 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC000503998796 849830569 /nfs/dbraw/zinc/83/05/69/849830569.db2.gz HHVKKLPDHPACAS-AWEZNQCLSA-N -1 3 399.312 3.694 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1cc(F)ccc1Br ZINC000434958425 849946145 /nfs/dbraw/zinc/94/61/45/849946145.db2.gz MTNWULUBGCXWLI-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)s1 ZINC000908394919 850077647 /nfs/dbraw/zinc/07/76/47/850077647.db2.gz IYFCBQLTICFLLV-CYBMUJFWSA-N -1 3 388.493 3.905 20 0 GHADHM O=S(=O)(C=Cc1cccc(Br)c1)[N-]c1cccc2n[nH]cc21 ZINC000171337565 862091628 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CC(C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000514708962 850197825 /nfs/dbraw/zinc/19/78/25/850197825.db2.gz IAXCWOCDCLVMIH-UYAOXDASSA-N -1 3 378.472 3.783 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(F)ccc1Br ZINC000435219430 850226347 /nfs/dbraw/zinc/22/63/47/850226347.db2.gz DGRZRKDVXVDGNQ-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=C([O-])[C@]1(NC(=O)Nc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC000908618320 850238979 /nfs/dbraw/zinc/23/89/79/850238979.db2.gz LXHSECGKNCPJNC-FQEVSTJZSA-N -1 3 387.867 3.581 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccsc1 ZINC000908801276 850367911 /nfs/dbraw/zinc/36/79/11/850367911.db2.gz DJQLRQZLTCEHSA-ROUUACIJSA-N -1 3 395.569 3.854 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCCC1)c1ccsc1 ZINC000908804474 850371292 /nfs/dbraw/zinc/37/12/92/850371292.db2.gz WVPUIVALBHDGFH-MSOLQXFVSA-N -1 3 395.569 3.854 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)c2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000043733836 850373470 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Cn1cc([C@H]2C[C@@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)cn1 ZINC000515310648 850903518 /nfs/dbraw/zinc/90/35/18/850903518.db2.gz XKTQDCQZUUTBMZ-HRAATJIYSA-N -1 3 393.443 3.568 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c(C)o1 ZINC000434236813 850916583 /nfs/dbraw/zinc/91/65/83/850916583.db2.gz MNEIZBVHJSELNV-INIZCTEOSA-N -1 3 396.484 3.543 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C2CC2)cc1 ZINC000515405693 850986382 /nfs/dbraw/zinc/98/63/82/850986382.db2.gz ADEMZVUMVJBKEH-FOIQADDNSA-N -1 3 378.472 3.752 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C2CC2)cc1 ZINC000515405700 850987068 /nfs/dbraw/zinc/98/70/68/850987068.db2.gz ADEMZVUMVJBKEH-YWZLYKJASA-N -1 3 378.472 3.752 20 0 GHADHM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000003569943 851012788 /nfs/dbraw/zinc/01/27/88/851012788.db2.gz WZCSOCRSKZXRJS-UHFFFAOYSA-N -1 3 398.459 3.865 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000434344050 851020557 /nfs/dbraw/zinc/02/05/57/851020557.db2.gz IUAUAAIBFZFINP-UHFFFAOYSA-N -1 3 395.500 3.757 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c(C)c1 ZINC000436010452 851086354 /nfs/dbraw/zinc/08/63/54/851086354.db2.gz ZZHAZQVMWMGOIT-UHFFFAOYSA-N -1 3 399.472 3.726 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426647137 851113071 /nfs/dbraw/zinc/11/30/71/851113071.db2.gz MGFQYEAEXHHNJG-OAHLLOKOSA-N -1 3 388.222 3.763 20 0 GHADHM C[C@@H]1[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1(F)F ZINC000569967758 851119259 /nfs/dbraw/zinc/11/92/59/851119259.db2.gz AQWNYYSYKNAQBT-MUWHJKNJSA-N -1 3 382.168 3.653 20 0 GHADHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN([C@H](C)c4ccccc4)CC3)c12 ZINC000910372554 851162382 /nfs/dbraw/zinc/16/23/82/851162382.db2.gz KOYLWZWNQHUHIF-CQSZACIVSA-N -1 3 382.489 3.581 20 0 GHADHM COc1cccc(CN2CCN(c3c(C(=O)[O-])cnc4ccc(C)cc43)CC2)c1 ZINC000910375493 851164357 /nfs/dbraw/zinc/16/43/57/851164357.db2.gz PTITZQICXLCSQM-UHFFFAOYSA-N -1 3 391.471 3.572 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC3(O)CCC(C)(C)CC3)cc2)cc(=O)[n-]1 ZINC000664422645 851204464 /nfs/dbraw/zinc/20/44/64/851204464.db2.gz NVSOPWWMDMRPFU-UHFFFAOYSA-N -1 3 384.480 3.610 20 0 GHADHM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000910513195 851235514 /nfs/dbraw/zinc/23/55/14/851235514.db2.gz ONXGRQIGFKFWRW-QHCPKHFHSA-N -1 3 398.478 3.627 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCCC4)OC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000664425617 851270449 /nfs/dbraw/zinc/27/04/49/851270449.db2.gz KGCUAYKRJBGMSV-CQSZACIVSA-N -1 3 382.464 3.723 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000436193316 851325472 /nfs/dbraw/zinc/32/54/72/851325472.db2.gz XFNMCEXKXQNNOQ-HUUCEWRRSA-N -1 3 390.480 3.663 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910740929 851355768 /nfs/dbraw/zinc/35/57/68/851355768.db2.gz OJTAWONISMBLGY-UHFFFAOYSA-N -1 3 385.445 3.779 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000466560138 862238494 /nfs/dbraw/zinc/23/84/94/862238494.db2.gz WPCFDGCZVUKUAW-GJZGRUSLSA-N -1 3 397.846 3.842 20 0 GHADHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000550087933 851447529 /nfs/dbraw/zinc/44/75/29/851447529.db2.gz WERMMZGPFOMNKQ-MRXNPFEDSA-N -1 3 376.865 3.508 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cncc([O-])c2)c(C)n1CCc1ccc(F)cc1 ZINC000732391678 862254754 /nfs/dbraw/zinc/25/47/54/862254754.db2.gz MCKZRLZLERFOSS-UHFFFAOYSA-N -1 3 396.418 3.627 20 0 GHADHM CC1CCN([C@@H](CNC(=O)Cc2ccc(C(=O)[O-])cc2)c2cccs2)CC1 ZINC000911100220 851571123 /nfs/dbraw/zinc/57/11/23/851571123.db2.gz BRJNHRFUNXPHAT-SFHVURJKSA-N -1 3 386.517 3.578 20 0 GHADHM CCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000911164802 851605783 /nfs/dbraw/zinc/60/57/83/851605783.db2.gz AJLWTNRZGQPPSI-KRWDZBQOSA-N -1 3 386.879 3.775 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000132777242 862262622 /nfs/dbraw/zinc/26/26/22/862262622.db2.gz HFXBMBQAJVZTPR-QMMMGPOBSA-N -1 3 397.132 3.536 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3cccc(F)c3)c2)n1 ZINC000049304756 851649026 /nfs/dbraw/zinc/64/90/26/851649026.db2.gz ZJYWEZPMDKOBOG-ZDUSSCGKSA-N -1 3 381.407 3.544 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccccc1Cl ZINC000911278846 851660265 /nfs/dbraw/zinc/66/02/65/851660265.db2.gz FGJPNFPUKLKVPG-GJZGRUSLSA-N -1 3 398.956 3.608 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000911279640 851661163 /nfs/dbraw/zinc/66/11/63/851661163.db2.gz KUBZFXIJGCSVHY-ZBFHGGJFSA-N -1 3 398.956 3.608 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000911262493 851666385 /nfs/dbraw/zinc/66/63/85/851666385.db2.gz IPHKHZXGXIRKTQ-JXFKEZNVSA-N -1 3 380.488 3.688 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000911290801 851669608 /nfs/dbraw/zinc/66/96/08/851669608.db2.gz NQXBGWCURHKAOC-OAHLLOKOSA-N -1 3 390.505 3.718 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1OC1CCCC1 ZINC000488757372 851743306 /nfs/dbraw/zinc/74/33/06/851743306.db2.gz GXLRKFPDOXIGMX-UHFFFAOYSA-N -1 3 397.443 3.773 20 0 GHADHM CCCNC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101635584 851767424 /nfs/dbraw/zinc/76/74/24/851767424.db2.gz GNUHCBOEHVOOBM-UHFFFAOYSA-N -1 3 394.515 3.556 20 0 GHADHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(C)o1 ZINC000488823588 851801383 /nfs/dbraw/zinc/80/13/83/851801383.db2.gz JHMHUFMCPFSJHX-MRVPVSSYSA-N -1 3 394.237 3.977 20 0 GHADHM Cc1cc(F)c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1C(=O)[O-] ZINC000911683276 851849897 /nfs/dbraw/zinc/84/98/97/851849897.db2.gz GOGODSYZROJVMT-UHFFFAOYSA-N -1 3 399.466 3.615 20 0 GHADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488914572 851859336 /nfs/dbraw/zinc/85/93/36/851859336.db2.gz OJUOZFSPTJSWBG-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436498487 851973986 /nfs/dbraw/zinc/97/39/86/851973986.db2.gz WIDCWVCAOUGWRX-UHFFFAOYSA-N -1 3 385.851 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)C1 ZINC000436525300 852016099 /nfs/dbraw/zinc/01/60/99/852016099.db2.gz FZPOADAINRWGME-OXJNMPFZSA-N -1 3 380.488 3.900 20 0 GHADHM CCOC(=O)c1csc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436549070 852036456 /nfs/dbraw/zinc/03/64/56/852036456.db2.gz DZYDZGYOZAUBMY-UHFFFAOYSA-N -1 3 398.440 3.748 20 0 GHADHM C[C@H](c1cccc(Br)c1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000517531619 852081214 /nfs/dbraw/zinc/08/12/14/852081214.db2.gz DRGCNKSMZXRCBF-ZQJOYCHOSA-N -1 3 381.295 3.832 20 0 GHADHM COCCn1nc(C)c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1C ZINC000436586642 852094746 /nfs/dbraw/zinc/09/47/46/852094746.db2.gz UCQANLMHCSWYLD-UHFFFAOYSA-N -1 3 393.487 3.889 20 0 GHADHM COC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(F)cc1 ZINC000466564334 862320023 /nfs/dbraw/zinc/32/00/23/862320023.db2.gz HCDVUXMIILFTQE-IBGZPJMESA-N -1 3 396.422 3.806 20 0 GHADHM CC(C)c1ccc2occ(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)c2c1 ZINC000436619881 852099433 /nfs/dbraw/zinc/09/94/33/852099433.db2.gz QWIZJECLOYZQPU-UHFFFAOYSA-N -1 3 392.455 3.860 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[O-] ZINC000436602628 852102074 /nfs/dbraw/zinc/10/20/74/852102074.db2.gz KPUUWAIUWKHNFH-UHFFFAOYSA-N -1 3 380.444 3.654 20 0 GHADHM NC(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)o1 ZINC000436607708 852107184 /nfs/dbraw/zinc/10/71/84/852107184.db2.gz TVJPQABHYDZWPM-UHFFFAOYSA-N -1 3 379.397 3.613 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(O)c4ccccc34)no2)c([O-])c1 ZINC000436613793 852113812 /nfs/dbraw/zinc/11/38/12/852113812.db2.gz SFWKSMJEDXBBSW-UHFFFAOYSA-N -1 3 389.411 3.582 20 0 GHADHM Cc1nn(C)c(C)c1CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436624416 852118705 /nfs/dbraw/zinc/11/87/05/852118705.db2.gz LJUOZZICUJXOHJ-UHFFFAOYSA-N -1 3 377.488 3.696 20 0 GHADHM COc1ccc(CC2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)cc1 ZINC000436662262 852159764 /nfs/dbraw/zinc/15/97/64/852159764.db2.gz IQWUAKKAARJQRF-UHFFFAOYSA-N -1 3 385.460 3.513 20 0 GHADHM O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436660578 852178909 /nfs/dbraw/zinc/17/89/09/852178909.db2.gz SXBNNMMUKOECGM-CYBMUJFWSA-N -1 3 377.265 3.733 20 0 GHADHM CCCOc1cccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)c1 ZINC000436686151 852194746 /nfs/dbraw/zinc/19/47/46/852194746.db2.gz CZPGZWISDWKAQX-UHFFFAOYSA-N -1 3 381.432 3.512 20 0 GHADHM C[C@@H](c1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1)N1CCOCC1 ZINC000436687623 852197649 /nfs/dbraw/zinc/19/76/49/852197649.db2.gz RVOVUMVYWGVHKX-INIZCTEOSA-N -1 3 380.488 3.917 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000894787639 852212798 /nfs/dbraw/zinc/21/27/98/852212798.db2.gz HPTRGDBWRVPLNI-OAHLLOKOSA-N -1 3 383.311 3.605 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c([O-])c1 ZINC000436712591 852234857 /nfs/dbraw/zinc/23/48/57/852234857.db2.gz OLIIQIBZACUMSO-UHFFFAOYSA-N -1 3 395.503 3.525 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436716975 852239466 /nfs/dbraw/zinc/23/94/66/852239466.db2.gz UXHOZOCBLIWWCG-BEFAXECRSA-N -1 3 382.460 3.813 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000436737677 852255082 /nfs/dbraw/zinc/25/50/82/852255082.db2.gz JPEFYLAODXPRDT-ZDUSSCGKSA-N -1 3 389.448 3.698 20 0 GHADHM CN1CC[C@H](CNC(=O)c2ccc(F)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436732504 852273701 /nfs/dbraw/zinc/27/37/01/852273701.db2.gz RGVASVSFDAZDSH-XIKOKIGWSA-N -1 3 380.822 3.747 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000912469089 852284111 /nfs/dbraw/zinc/28/41/11/852284111.db2.gz BVZXWWSMAIMYNA-AWEZNQCLSA-N -1 3 395.425 3.536 20 0 GHADHM CCC(CC)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000436749677 852291404 /nfs/dbraw/zinc/29/14/04/852291404.db2.gz ZQSIBJGPNMGHRT-UHFFFAOYSA-N -1 3 388.895 3.650 20 0 GHADHM NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436754805 852299134 /nfs/dbraw/zinc/29/91/34/852299134.db2.gz JVQRLGQLDYCJQA-UHFFFAOYSA-N -1 3 390.439 3.702 20 0 GHADHM COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000436780507 852316412 /nfs/dbraw/zinc/31/64/12/852316412.db2.gz CZWRWUNDXCZCJM-UHFFFAOYSA-N -1 3 381.350 3.535 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1[O-] ZINC000436782444 852335648 /nfs/dbraw/zinc/33/56/48/852335648.db2.gz ICTVULHLORSLQQ-UHFFFAOYSA-N -1 3 392.411 3.671 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000436787241 852339658 /nfs/dbraw/zinc/33/96/58/852339658.db2.gz NNMUQKLQVOHVNP-OAHLLOKOSA-N -1 3 392.459 3.644 20 0 GHADHM Cn1c(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426744776 852345213 /nfs/dbraw/zinc/34/52/13/852345213.db2.gz RXPHATQDOPEMGT-HNNXBMFYSA-N -1 3 396.249 3.805 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(OCc3cccnc3)c(OC)c2)c([O-])c1 ZINC000436816875 852357802 /nfs/dbraw/zinc/35/78/02/852357802.db2.gz GQJFFAKGWASHDG-UHFFFAOYSA-N -1 3 392.455 3.867 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000436818203 852357818 /nfs/dbraw/zinc/35/78/18/852357818.db2.gz JNDFSIDLAVANAT-LBPRGKRZSA-N -1 3 397.431 3.513 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(CCO)Cc1cccc(F)c1 ZINC000436820181 852359472 /nfs/dbraw/zinc/35/94/72/852359472.db2.gz PWJCUROMVBRMFE-UHFFFAOYSA-N -1 3 381.403 3.958 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)N(C)C)cc1 ZINC000436801952 852360601 /nfs/dbraw/zinc/36/06/01/852360601.db2.gz ADJOYWMIGCLXNG-MRXNPFEDSA-N -1 3 382.888 3.939 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)c(F)c1 ZINC000426753552 852360546 /nfs/dbraw/zinc/36/05/46/852360546.db2.gz IZWNDDJYKLAFOE-LPHOPBHVSA-N -1 3 393.842 3.952 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(SC)cc1OC ZINC000426757303 852364676 /nfs/dbraw/zinc/36/46/76/852364676.db2.gz OMIULQIOFOQCOB-LJQANCHMSA-N -1 3 375.490 3.958 20 0 GHADHM CNC(=O)c1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000426757711 852364851 /nfs/dbraw/zinc/36/48/51/852364851.db2.gz QBIQVPQOXGEZKX-MRXNPFEDSA-N -1 3 381.259 3.659 20 0 GHADHM CC(F)(F)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436806079 852365068 /nfs/dbraw/zinc/36/50/68/852365068.db2.gz FSGKMNDQMAFNSB-UHFFFAOYSA-N -1 3 388.414 3.539 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436831184 852380206 /nfs/dbraw/zinc/38/02/06/852380206.db2.gz XJVDXJXMOBJPLT-UWJYYQICSA-N -1 3 380.488 3.507 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436832346 852383465 /nfs/dbraw/zinc/38/34/65/852383465.db2.gz ZXEWFNXBRGSBFZ-LAUBAEHRSA-N -1 3 380.488 3.507 20 0 GHADHM CCc1ccc(C(=O)NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)c([O-])c1 ZINC000436826016 852394435 /nfs/dbraw/zinc/39/44/35/852394435.db2.gz NCHHJUANOJKLFG-HXUWFJFHSA-N -1 3 394.515 3.869 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000436842117 852406376 /nfs/dbraw/zinc/40/63/76/852406376.db2.gz XEIODNBCGSKZDV-UHFFFAOYSA-N -1 3 379.287 3.700 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1OCC(F)(F)F ZINC000426804651 852416165 /nfs/dbraw/zinc/41/61/65/852416165.db2.gz VNPBQGTVAMFPOR-MRXNPFEDSA-N -1 3 387.329 3.691 20 0 GHADHM O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000546035465 852436579 /nfs/dbraw/zinc/43/65/79/852436579.db2.gz GRTUSVRHGFNAQZ-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(F)c1 ZINC000426824861 852437243 /nfs/dbraw/zinc/43/72/43/852437243.db2.gz JSDPSOKDOSQUQJ-OAHLLOKOSA-N -1 3 375.293 3.821 20 0 GHADHM COc1ccc([C@H](NCc2cc(C)c(Br)s2)C(=O)[O-])cc1F ZINC000426825662 852438973 /nfs/dbraw/zinc/43/89/73/852438973.db2.gz QXUGQDODDCTJTO-ZDUSSCGKSA-N -1 3 388.258 3.882 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OCC(F)(F)F ZINC000426837291 852444532 /nfs/dbraw/zinc/44/45/32/852444532.db2.gz WPNYMLAEYRVNJD-CQSZACIVSA-N -1 3 375.368 3.613 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)c1 ZINC000436921468 852503710 /nfs/dbraw/zinc/50/37/10/852503710.db2.gz SWFFCNIUFOKSNQ-UHFFFAOYSA-N -1 3 376.796 3.712 20 0 GHADHM O=C(NCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccs1 ZINC000436949621 852513725 /nfs/dbraw/zinc/51/37/25/852513725.db2.gz AADIORDJMSUSRE-UHFFFAOYSA-N -1 3 396.468 3.796 20 0 GHADHM COc1ccc([O-])c(-c2nc([C@@H](OC)c3ccc(Br)cc3)no2)c1 ZINC000436951184 852514756 /nfs/dbraw/zinc/51/47/56/852514756.db2.gz DZVOIXIPKGFLAJ-HNNXBMFYSA-N -1 3 391.221 3.949 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000436935120 852517518 /nfs/dbraw/zinc/51/75/18/852517518.db2.gz IZSTVVUHSYYXMI-UHFFFAOYSA-N -1 3 394.500 3.602 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@H]2C(C)C)c1 ZINC000436962247 852532317 /nfs/dbraw/zinc/53/23/17/852532317.db2.gz NJQUSQQDPYDTJS-YJBOKZPZSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000436962181 852532454 /nfs/dbraw/zinc/53/24/54/852532454.db2.gz IYCQBVXHBAJIQI-SJCJKPOMSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436962509 852534499 /nfs/dbraw/zinc/53/44/99/852534499.db2.gz BZCREOVXDSIIKY-KXBFYZLASA-N -1 3 384.451 3.569 20 0 GHADHM CCc1cc(C)cc(CC)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436959774 852550024 /nfs/dbraw/zinc/55/00/24/852550024.db2.gz HUAZYZOZCDWNLN-UHFFFAOYSA-N -1 3 395.503 3.815 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC000473851838 852558787 /nfs/dbraw/zinc/55/87/87/852558787.db2.gz SLAUNHMYMYIESC-IBGZPJMESA-N -1 3 381.407 3.654 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(COC(C)(C)C)on2)c([O-])c1 ZINC000436980448 852567897 /nfs/dbraw/zinc/56/78/97/852567897.db2.gz NPQPAMMAFGFPSG-UHFFFAOYSA-N -1 3 376.453 3.804 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000436983072 852571236 /nfs/dbraw/zinc/57/12/36/852571236.db2.gz BYGWOMGTKDYEBF-IYJVBRSBSA-N -1 3 375.490 3.800 20 0 GHADHM CC[C@H]1CCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436989944 852579550 /nfs/dbraw/zinc/57/95/50/852579550.db2.gz PVBGPOHGMNHSPV-BBRMVZONSA-N -1 3 387.505 3.647 20 0 GHADHM O=C(Nc1cccc(F)c1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436991505 852582340 /nfs/dbraw/zinc/58/23/40/852582340.db2.gz YKBBWJLJCPDGLG-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(C)cc1)SCc1noc(-c2ccccc2[O-])n1 ZINC000436995445 852584363 /nfs/dbraw/zinc/58/43/63/852584363.db2.gz DBWJNLJFUSLVAF-QGZVFWFLSA-N -1 3 384.457 3.768 20 0 GHADHM Cc1ccc(Oc2ccc(OCC(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cc2)cc1 ZINC000473852548 852618277 /nfs/dbraw/zinc/61/82/77/852618277.db2.gz UNXKYNNXFGVXPF-FQEVSTJZSA-N -1 3 393.443 3.801 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)c(F)cc1F ZINC000329860751 862379877 /nfs/dbraw/zinc/37/98/77/862379877.db2.gz XNFDGSKGLBJTDS-IBGZPJMESA-N -1 3 393.455 3.646 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N(C)C)cc1 ZINC000489945548 852689692 /nfs/dbraw/zinc/68/96/92/852689692.db2.gz JGYIIDKSUYCWGG-MRXNPFEDSA-N -1 3 396.409 3.629 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427080915 852697222 /nfs/dbraw/zinc/69/72/22/852697222.db2.gz PLBJVVYHUNUWFC-UHFFFAOYSA-N -1 3 391.406 3.761 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427080915 852697230 /nfs/dbraw/zinc/69/72/30/852697230.db2.gz PLBJVVYHUNUWFC-UHFFFAOYSA-N -1 3 391.406 3.761 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1OC1CCCCC1 ZINC000427089405 852714993 /nfs/dbraw/zinc/71/49/93/852714993.db2.gz ZKKQCMQBESWZAD-UHFFFAOYSA-N -1 3 377.448 3.754 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1OC1CCCCC1 ZINC000427089405 852714997 /nfs/dbraw/zinc/71/49/97/852714997.db2.gz ZKKQCMQBESWZAD-UHFFFAOYSA-N -1 3 377.448 3.754 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)c(Br)cc1F ZINC000490057529 852741163 /nfs/dbraw/zinc/74/11/63/852741163.db2.gz SWTYYLAMLODZHP-UHFFFAOYSA-N -1 3 386.246 3.675 20 0 GHADHM COc1ccccc1NC(=O)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507543959 853032094 /nfs/dbraw/zinc/03/20/94/853032094.db2.gz BTERPXRTDGJVJA-UHFFFAOYSA-N -1 3 376.403 3.530 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(Cl)cc1F ZINC000507571284 853040914 /nfs/dbraw/zinc/04/09/14/853040914.db2.gz VKPKNGJLGLMPIZ-UHFFFAOYSA-N -1 3 391.207 3.676 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cc(C(F)(F)F)on1 ZINC000490475593 853043465 /nfs/dbraw/zinc/04/34/65/853043465.db2.gz FMKRXIGRJGUINZ-UHFFFAOYSA-N -1 3 386.754 3.700 20 0 GHADHM CNC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1F ZINC000507583032 853068708 /nfs/dbraw/zinc/06/87/08/853068708.db2.gz ZSTJHAINYQNPSF-UHFFFAOYSA-N -1 3 379.457 3.611 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1 ZINC000473862408 853121927 /nfs/dbraw/zinc/12/19/27/853121927.db2.gz ZRRWNSHUQKDBEJ-GFCCVEGCSA-N -1 3 378.252 3.799 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)o1 ZINC000490601126 853126045 /nfs/dbraw/zinc/12/60/45/853126045.db2.gz KULICUBWUQONFD-UHFFFAOYSA-N -1 3 377.491 3.538 20 0 GHADHM COc1nnc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)[n-]1 ZINC000490684897 853184576 /nfs/dbraw/zinc/18/45/76/853184576.db2.gz QHFOYNDOELUKBV-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM COc1nc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)n[n-]1 ZINC000490684897 853184580 /nfs/dbraw/zinc/18/45/80/853184580.db2.gz QHFOYNDOELUKBV-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM COc1n[n-]c(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)n1 ZINC000490684897 853184584 /nfs/dbraw/zinc/18/45/84/853184584.db2.gz QHFOYNDOELUKBV-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM C[C@@H](Oc1cccc(Br)c1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439023174 853192585 /nfs/dbraw/zinc/19/25/85/853192585.db2.gz UUBJYQIGNYTDLG-GFCCVEGCSA-N -1 3 386.249 3.667 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000913301776 853212061 /nfs/dbraw/zinc/21/20/61/853212061.db2.gz BASGEYWMLUQLLG-FQEVSTJZSA-N -1 3 393.443 3.831 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1CCCc2ccccc21 ZINC000913301776 853212068 /nfs/dbraw/zinc/21/20/68/853212068.db2.gz BASGEYWMLUQLLG-FQEVSTJZSA-N -1 3 393.443 3.831 20 0 GHADHM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c(F)ccc([O-])c1F ZINC000280792354 853235235 /nfs/dbraw/zinc/23/52/35/853235235.db2.gz PDHQAMYQKYIOCN-UHFFFAOYSA-N -1 3 380.822 3.718 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2ccccc2Cl)c(F)c1F ZINC000519743079 853436310 /nfs/dbraw/zinc/43/63/10/853436310.db2.gz LVDKUOYEUGZVFO-UHFFFAOYSA-N -1 3 377.771 3.902 20 0 GHADHM COc1cc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc(OC)c1[O-] ZINC000491090608 853448081 /nfs/dbraw/zinc/44/80/81/853448081.db2.gz GXNSJGDLXBRLKK-LJQANCHMSA-N -1 3 399.487 3.582 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2cc(C)ccc2C)cc1OC ZINC000054984474 853624068 /nfs/dbraw/zinc/62/40/68/853624068.db2.gz SZVLAQONLWMJDV-UHFFFAOYSA-N -1 3 393.534 3.883 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(C)cc2)cc1OC ZINC000054984369 853624615 /nfs/dbraw/zinc/62/46/15/853624615.db2.gz AEPZGECXFWUVLQ-UHFFFAOYSA-N -1 3 379.507 3.574 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000506592378 853698166 /nfs/dbraw/zinc/69/81/66/853698166.db2.gz GYBCYMGUSICMAN-UHFFFAOYSA-N -1 3 376.261 3.949 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1Br)c1ccoc1 ZINC000506593138 853701279 /nfs/dbraw/zinc/70/12/79/853701279.db2.gz IHCYDDYRCOEYPV-UHFFFAOYSA-N -1 3 381.045 3.605 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCO[C@H]1CCCC[C@H]1C)CC2 ZINC000571410701 853871971 /nfs/dbraw/zinc/87/19/71/853871971.db2.gz VOABDBAHUBQNNH-MNEFBYGVSA-N -1 3 391.508 3.673 20 0 GHADHM CC(=O)Nc1cccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000044857981 853876609 /nfs/dbraw/zinc/87/66/09/853876609.db2.gz ZSWYGTKQQWLQKQ-UHFFFAOYSA-N -1 3 397.287 3.583 20 0 GHADHM COCCC[C@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000571467562 853886661 /nfs/dbraw/zinc/88/66/61/853886661.db2.gz BORYXDXFBLMMIZ-JTQLQIEISA-N -1 3 392.257 3.814 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000520304639 854065856 /nfs/dbraw/zinc/06/58/56/854065856.db2.gz WMHKNQKYTFNRQI-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000520304639 854065859 /nfs/dbraw/zinc/06/58/59/854065859.db2.gz WMHKNQKYTFNRQI-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2sc(Cl)cc21)c1ccc(Br)cn1 ZINC000571807778 854163148 /nfs/dbraw/zinc/16/31/48/854163148.db2.gz YMMCFNGLDXHGQW-SECBINFHSA-N -1 3 393.715 3.525 20 0 GHADHM Cc1ccc2[nH]c(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1C ZINC000604867205 862539673 /nfs/dbraw/zinc/53/96/73/862539673.db2.gz LFFYAGRSHUYPHO-UHFFFAOYSA-N -1 3 391.471 3.525 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1Cl ZINC000156745538 854194204 /nfs/dbraw/zinc/19/42/04/854194204.db2.gz OPOSOPNJNXDGEW-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1Cl ZINC000156745681 854194325 /nfs/dbraw/zinc/19/43/25/854194325.db2.gz XXNDPEWJFLIXAG-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000571986741 854254253 /nfs/dbraw/zinc/25/42/53/854254253.db2.gz LIPFWERYJDPKGQ-UHFFFAOYSA-N -1 3 377.387 3.585 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000050534717 854261806 /nfs/dbraw/zinc/26/18/06/854261806.db2.gz HDMCGTBCQAEQGI-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3c(C)nn(C)c3Cl)oc21 ZINC000055987331 854296621 /nfs/dbraw/zinc/29/66/21/854296621.db2.gz HJNDWPNFUNASMV-JTQLQIEISA-N -1 3 397.884 3.566 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928938 854314753 /nfs/dbraw/zinc/31/47/53/854314753.db2.gz RNBAMFFJYZIEQC-CVEARBPZSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928938 854314761 /nfs/dbraw/zinc/31/47/61/854314761.db2.gz RNBAMFFJYZIEQC-CVEARBPZSA-N -1 3 388.258 3.840 20 0 GHADHM O=S(=O)([N-]c1ccncc1F)c1ccc(Oc2ccccc2Cl)cc1 ZINC000481959726 862553598 /nfs/dbraw/zinc/55/35/98/862553598.db2.gz AMFDBWNONLVCQN-UHFFFAOYSA-N -1 3 378.812 3.889 20 0 GHADHM C[C@H](NC1(CN=c2[n-]c(-c3ccc(F)cc3)no2)CCOCC1)c1ccccc1 ZINC000623971045 862558279 /nfs/dbraw/zinc/55/82/79/862558279.db2.gz IYQUHDMPTPWVJC-INIZCTEOSA-N -1 3 396.466 3.610 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2-c2cnn(C)c2)sc1Cl ZINC000473949368 854377550 /nfs/dbraw/zinc/37/75/50/854377550.db2.gz JHACKLHSEWYVDT-UHFFFAOYSA-N -1 3 381.910 3.589 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H]1CCC[C@H](C)C1 ZINC000113200460 854445044 /nfs/dbraw/zinc/44/50/44/854445044.db2.gz HITYFOLEAMNRIA-SDYXESRWSA-N -1 3 381.520 3.921 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)c1[O-] ZINC000572265777 854468528 /nfs/dbraw/zinc/46/85/28/854468528.db2.gz DVLNUIUPSIERFK-UHFFFAOYSA-N -1 3 388.217 3.772 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCC4)c(F)c3)ccc2O1 ZINC000481978071 862570485 /nfs/dbraw/zinc/57/04/85/862570485.db2.gz GZHGHBOOVDXGSI-GFCCVEGCSA-N -1 3 377.437 3.881 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3OC(F)(F)F)nc2)n1 ZINC000068661410 854606192 /nfs/dbraw/zinc/60/61/92/854606192.db2.gz VMIDRSMHFKQZTG-UHFFFAOYSA-N -1 3 390.365 3.905 20 0 GHADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112631403 854763850 /nfs/dbraw/zinc/76/38/50/854763850.db2.gz DYSFOYZVICCTER-BBRMVZONSA-N -1 3 383.245 3.577 20 0 GHADHM O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)[N-]C(=O)c1cccs1 ZINC000007169968 854840251 /nfs/dbraw/zinc/84/02/51/854840251.db2.gz YWGMEOGBUQGUTL-UHFFFAOYSA-N -1 3 381.409 3.654 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000589428885 854891279 /nfs/dbraw/zinc/89/12/79/854891279.db2.gz AWMCUWSNEKQCLK-UHFFFAOYSA-N -1 3 393.468 3.973 20 0 GHADHM CSCC(C)(C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000572886227 855033035 /nfs/dbraw/zinc/03/30/35/855033035.db2.gz FQOQMSKNEHEJIZ-UHFFFAOYSA-N -1 3 394.298 3.925 20 0 GHADHM CCc1c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ccn1C ZINC000572894989 855037232 /nfs/dbraw/zinc/03/72/32/855037232.db2.gz WESBJQAOUXSAAQ-UHFFFAOYSA-N -1 3 397.500 3.949 20 0 GHADHM CCCOc1ncccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520467957 855104452 /nfs/dbraw/zinc/10/44/52/855104452.db2.gz XPVMWJLDHRLGQD-UHFFFAOYSA-N -1 3 393.447 3.663 20 0 GHADHM CCC1(CC)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CCS1 ZINC000482042063 862653718 /nfs/dbraw/zinc/65/37/18/862653718.db2.gz BUPQFIXQJBGDDV-UHFFFAOYSA-N -1 3 397.342 3.658 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2C)s1 ZINC000054912243 855230631 /nfs/dbraw/zinc/23/06/31/855230631.db2.gz WYXFHPNBBNKNJH-UHFFFAOYSA-N -1 3 376.873 3.676 20 0 GHADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000057289396 855339838 /nfs/dbraw/zinc/33/98/38/855339838.db2.gz MDDGAMQQWGURAJ-UHFFFAOYSA-N -1 3 385.876 3.993 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000055545930 855341873 /nfs/dbraw/zinc/34/18/73/855341873.db2.gz FNASUFWUAUFJFO-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(C)c1 ZINC000055581635 855351894 /nfs/dbraw/zinc/35/18/94/855351894.db2.gz ZFTVEPIQPQKUNC-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000590316560 855372872 /nfs/dbraw/zinc/37/28/72/855372872.db2.gz XLJIEPICHMTAEJ-UHFFFAOYSA-N -1 3 396.106 3.596 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c2ccccc21 ZINC000056409773 855541400 /nfs/dbraw/zinc/54/14/00/855541400.db2.gz AABREMFHNKJNRB-UHFFFAOYSA-N -1 3 385.489 3.921 20 0 GHADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000181035379 862727471 /nfs/dbraw/zinc/72/74/71/862727471.db2.gz PTYNWFDWUYLSDQ-MJGOQNOKSA-N -1 3 386.810 3.581 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN([C@H](C)c4nccs4)CC3)c2c1 ZINC000573123412 855853261 /nfs/dbraw/zinc/85/32/61/855853261.db2.gz FEPSCWMDFYZLBA-OAHLLOKOSA-N -1 3 396.516 3.890 20 0 GHADHM O=c1[n-]c(CN2CC[C@H](COc3ccccc3)C2)nc2c3ccccc3oc21 ZINC000542802663 855902422 /nfs/dbraw/zinc/90/24/22/855902422.db2.gz PYAUDAHSDNIOLS-HNNXBMFYSA-N -1 3 375.428 3.983 20 0 GHADHM Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000027648987 855975732 /nfs/dbraw/zinc/97/57/32/855975732.db2.gz FDNOZIPTLVEIOB-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc3ccc(F)cc3nc2C)[nH][n-]1 ZINC000591449249 855994702 /nfs/dbraw/zinc/99/47/02/855994702.db2.gz QTOXJFOVCGOQER-UHFFFAOYSA-N -1 3 376.391 3.755 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029388653 856044351 /nfs/dbraw/zinc/04/43/51/856044351.db2.gz NMZVNMXABPFISJ-UHFFFAOYSA-N -1 3 383.157 3.928 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029388653 856044357 /nfs/dbraw/zinc/04/43/57/856044357.db2.gz NMZVNMXABPFISJ-UHFFFAOYSA-N -1 3 383.157 3.928 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cnc(C3CCCC3)s2)n[n-]1 ZINC000895106098 856046615 /nfs/dbraw/zinc/04/66/15/856046615.db2.gz XWYVXKYEPTYBQE-HNNXBMFYSA-N -1 3 391.541 3.973 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc(C3CCCC3)s2)[n-]1 ZINC000895106098 856046625 /nfs/dbraw/zinc/04/66/25/856046625.db2.gz XWYVXKYEPTYBQE-HNNXBMFYSA-N -1 3 391.541 3.973 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cnc(C3CCCC3)s2)n1 ZINC000895106098 856046628 /nfs/dbraw/zinc/04/66/28/856046628.db2.gz XWYVXKYEPTYBQE-HNNXBMFYSA-N -1 3 391.541 3.973 20 0 GHADHM Cc1ccnn1-c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485131078 856130337 /nfs/dbraw/zinc/13/03/37/856130337.db2.gz MNYFZESKMWNLAN-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3c[n-]c4ccccc4c3=O)s2)cs1 ZINC000031545855 856173307 /nfs/dbraw/zinc/17/33/07/856173307.db2.gz BWJLJWTWZFXPTE-UHFFFAOYSA-N -1 3 381.482 3.952 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000905162724 856198363 /nfs/dbraw/zinc/19/83/63/856198363.db2.gz MZZKBJNIFNLAMF-UHFFFAOYSA-N -1 3 382.342 3.670 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000485180494 856199521 /nfs/dbraw/zinc/19/95/21/856199521.db2.gz DPBNLUIVKIRFSS-LLVKDONJSA-N -1 3 381.245 3.897 20 0 GHADHM CN(Cc1ccco1)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000022706103 856207298 /nfs/dbraw/zinc/20/72/98/856207298.db2.gz ZKYQRHRGFFNZJL-UHFFFAOYSA-N -1 3 378.454 3.765 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl ZINC000436759724 856247854 /nfs/dbraw/zinc/24/78/54/856247854.db2.gz FHINJXUHWGZHPE-UHFFFAOYSA-N -1 3 390.823 3.509 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H]1CCCc2sccc21 ZINC000482189176 862787532 /nfs/dbraw/zinc/78/75/32/862787532.db2.gz VQQLOQWIOXKLCW-CYBMUJFWSA-N -1 3 391.294 3.779 20 0 GHADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000172415916 856429580 /nfs/dbraw/zinc/42/95/80/856429580.db2.gz CMACUTXPZNQVBK-UHFFFAOYSA-N -1 3 390.411 3.944 20 0 GHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1)C1CC1 ZINC000485390513 856430695 /nfs/dbraw/zinc/43/06/95/856430695.db2.gz NEKXIGLGOLSMSK-UHFFFAOYSA-N -1 3 390.480 3.754 20 0 GHADHM C[C@@H](CCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000441804956 856432989 /nfs/dbraw/zinc/43/29/89/856432989.db2.gz WFTKISHGMJTBFF-KRWDZBQOSA-N -1 3 380.488 3.697 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1F ZINC000624827758 856440926 /nfs/dbraw/zinc/44/09/26/856440926.db2.gz IEYUZEHYNHRFBM-LBPRGKRZSA-N -1 3 394.443 3.661 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000195562915 856469522 /nfs/dbraw/zinc/46/95/22/856469522.db2.gz ZHCWKWQIJVUGRW-UHFFFAOYSA-N -1 3 376.840 3.789 20 0 GHADHM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(CN3CCCCC3)c1)CC2 ZINC000909455467 856478868 /nfs/dbraw/zinc/47/88/68/856478868.db2.gz SEAPKYSQECVFGO-UHFFFAOYSA-N -1 3 378.472 3.569 20 0 GHADHM COc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(C)C ZINC000905750820 856506390 /nfs/dbraw/zinc/50/63/90/856506390.db2.gz ROIWCOSVFHMHAK-CQSZACIVSA-N -1 3 376.478 3.627 20 0 GHADHM COc1ccc(CNCc2ccc(C(=O)[O-])c(Br)c2)c(C)c1OC ZINC000905756460 856561469 /nfs/dbraw/zinc/56/14/69/856561469.db2.gz OGDDMDWYFKXBMF-UHFFFAOYSA-N -1 3 394.265 3.763 20 0 GHADHM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000669434650 856663051 /nfs/dbraw/zinc/66/30/51/856663051.db2.gz IIZGIFXLFANVDP-PXNSSMCTSA-N -1 3 396.462 3.643 20 0 GHADHM CC[C@@H](CC(F)F)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000906061616 856784178 /nfs/dbraw/zinc/78/41/78/856784178.db2.gz HKNFJODIIPQWPI-VIFPVBQESA-N -1 3 391.827 3.516 20 0 GHADHM CC[C@@H](CC(F)F)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000906061616 856784189 /nfs/dbraw/zinc/78/41/89/856784189.db2.gz HKNFJODIIPQWPI-VIFPVBQESA-N -1 3 391.827 3.516 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccccc3C)nc(=O)c2c1C ZINC000007004361 856807857 /nfs/dbraw/zinc/80/78/57/856807857.db2.gz UEMLHHCUCBCGMX-AWEZNQCLSA-N -1 3 399.516 3.971 20 0 GHADHM CC(C)c1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c2ccccc2n1 ZINC000427868306 856826454 /nfs/dbraw/zinc/82/64/54/856826454.db2.gz DHEVJXCSWQNLIU-UHFFFAOYSA-N -1 3 390.443 3.507 20 0 GHADHM Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc4nn[n-]c4c3)cc12 ZINC000508027008 856829012 /nfs/dbraw/zinc/82/90/12/856829012.db2.gz VSAINXUIJMGBIS-UHFFFAOYSA-N -1 3 388.456 3.978 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046211924 856848485 /nfs/dbraw/zinc/84/84/85/856848485.db2.gz SDWMNRHLRIUSOZ-OAHLLOKOSA-N -1 3 392.496 3.654 20 0 GHADHM O=c1cc(-c2nc(COc3cccc(Cl)c3Cl)no2)nc(C2CC2)[n-]1 ZINC000906126121 856849897 /nfs/dbraw/zinc/84/98/97/856849897.db2.gz DUDALAXLJWZDQM-UHFFFAOYSA-N -1 3 379.203 3.995 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3cc(F)c(F)cc32)s1 ZINC000906170818 856876628 /nfs/dbraw/zinc/87/66/28/856876628.db2.gz KBCAGIVGAJPYPU-UHFFFAOYSA-N -1 3 381.404 3.971 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1(c2ccc(F)cc2)CC1 ZINC000482260281 862851009 /nfs/dbraw/zinc/85/10/09/862851009.db2.gz GJNXGUKRPRDSNB-UHFFFAOYSA-N -1 3 393.256 3.825 20 0 GHADHM COc1cc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc(OC)c1[O-] ZINC000427964088 856941759 /nfs/dbraw/zinc/94/17/59/856941759.db2.gz GYCDQAPAYODJMN-UHFFFAOYSA-N -1 3 386.835 3.674 20 0 GHADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000485684792 856945798 /nfs/dbraw/zinc/94/57/98/856945798.db2.gz DSHBTVSJIKDIDD-UHFFFAOYSA-N -1 3 378.450 3.973 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C2CC2)s1 ZINC000173484237 856954648 /nfs/dbraw/zinc/95/46/48/856954648.db2.gz HGWPPGNITAWNOR-NSHDSACASA-N -1 3 393.353 3.705 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C(=O)OC(C)(C)C)cn2)c(F)c1 ZINC000592613209 856961556 /nfs/dbraw/zinc/96/15/56/856961556.db2.gz IZHWJSWKLQPYMM-UHFFFAOYSA-N -1 3 376.359 3.770 20 0 GHADHM O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047269838 856988360 /nfs/dbraw/zinc/98/83/60/856988360.db2.gz VAHZOWBZTGYMAL-UHFFFAOYSA-N -1 3 391.468 3.575 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000428017544 856999174 /nfs/dbraw/zinc/99/91/74/856999174.db2.gz NKTXPGMNVYNQSR-WAYWQWQTSA-N -1 3 379.460 3.748 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nnn1-c1ccccc1 ZINC000056249416 857028815 /nfs/dbraw/zinc/02/88/15/857028815.db2.gz ARPLFOOPNYSFAY-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM CSc1nc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)n[n-]1 ZINC000592752808 857056573 /nfs/dbraw/zinc/05/65/73/857056573.db2.gz ANFJXZOXFZCCDM-UHFFFAOYSA-N -1 3 388.880 3.940 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000112273658 857118318 /nfs/dbraw/zinc/11/83/18/857118318.db2.gz OIFWNFLRZOTPBX-ZIAGYGMSSA-N -1 3 395.297 3.522 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)cc1 ZINC000057122232 857148555 /nfs/dbraw/zinc/14/85/55/857148555.db2.gz YVMWSIOKAKKMEF-UHFFFAOYSA-N -1 3 397.378 3.701 20 0 GHADHM CCC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccccn1 ZINC000906571519 857175323 /nfs/dbraw/zinc/17/53/23/857175323.db2.gz NOZZEGPDZWNVHK-ZDUSSCGKSA-N -1 3 384.224 3.989 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000057301396 857185784 /nfs/dbraw/zinc/18/57/84/857185784.db2.gz FSWVCZZFCIIERJ-KBPBESRZSA-N -1 3 378.469 3.791 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1Cl ZINC000245931717 857203067 /nfs/dbraw/zinc/20/30/67/857203067.db2.gz ZBTMIDLOHGWNDY-ISTVAULSSA-N -1 3 376.881 3.541 20 0 GHADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)cc1)c1cccnc1C(F)(F)F ZINC000672373581 857213998 /nfs/dbraw/zinc/21/39/98/857213998.db2.gz GUNARSPYLKYARE-UHFFFAOYSA-N -1 3 398.328 3.640 20 0 GHADHM CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000057612712 857220812 /nfs/dbraw/zinc/22/08/12/857220812.db2.gz NGYSVZRAIYRXBM-UHFFFAOYSA-N -1 3 378.469 3.807 20 0 GHADHM COc1ccc(Br)c(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000485981261 857295111 /nfs/dbraw/zinc/29/51/11/857295111.db2.gz SHVHMEXKBAYAFJ-NSCUHMNNSA-N -1 3 384.233 3.773 20 0 GHADHM Cc1ccnc(OC2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)c1 ZINC000542976020 857302320 /nfs/dbraw/zinc/30/23/20/857302320.db2.gz PLNJLDBVHWYICT-UHFFFAOYSA-N -1 3 390.443 3.828 20 0 GHADHM O=C(OCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332351 857304982 /nfs/dbraw/zinc/30/49/82/857304982.db2.gz NITDVAQEPPRSGH-INIZCTEOSA-N -1 3 393.361 3.759 20 0 GHADHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906985147 857416208 /nfs/dbraw/zinc/41/62/08/857416208.db2.gz GQQOBOAENAZLNG-CYBMUJFWSA-N -1 3 391.497 3.509 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)N(C)C)cc1 ZINC000060321560 857422509 /nfs/dbraw/zinc/42/25/09/857422509.db2.gz WWSFFASEVCDVHW-LBPRGKRZSA-N -1 3 393.361 3.945 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000486163486 857493090 /nfs/dbraw/zinc/49/30/90/857493090.db2.gz GPSMDCKZDNNVQD-KKSFZXQISA-N -1 3 375.415 3.887 20 0 GHADHM CO[C@H]1Cc2ccc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)cc2C1 ZINC000907325707 857593665 /nfs/dbraw/zinc/59/36/65/857593665.db2.gz FNQRBHCHTKRMKR-AWEZNQCLSA-N -1 3 389.477 3.856 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001168402589 857632392 /nfs/dbraw/zinc/63/23/92/857632392.db2.gz DXCFRKDNQGYALD-LUYJPIOASA-N -1 3 387.892 3.570 20 0 GHADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)ccc2N1 ZINC000442219094 857633933 /nfs/dbraw/zinc/63/39/33/857633933.db2.gz YAZYAZSWEXVRCA-UHFFFAOYSA-N -1 3 386.807 3.694 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1)c1ccc(Cl)cc1F ZINC000063764376 857654527 /nfs/dbraw/zinc/65/45/27/857654527.db2.gz XGIPQOZVELFRMQ-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC001129121364 857662916 /nfs/dbraw/zinc/66/29/16/857662916.db2.gz KKBZCAYZXZIBCY-UHFFFAOYSA-N -1 3 398.220 3.708 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000162911262 862940986 /nfs/dbraw/zinc/94/09/86/862940986.db2.gz AOCUZVMGNMCIIY-ZETCQYMHSA-N -1 3 397.266 3.532 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000486427785 857725595 /nfs/dbraw/zinc/72/55/95/857725595.db2.gz JAJOQBZDJQVFRH-ZDUSSCGKSA-N -1 3 393.256 3.993 20 0 GHADHM CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@H](CO)c1ccccc1 ZINC000922081337 857759365 /nfs/dbraw/zinc/75/93/65/857759365.db2.gz NHCFDEYWYSQXKN-CQSZACIVSA-N -1 3 391.493 3.686 20 0 GHADHM Cc1nc([N-]C(=O)c2nnc(C3CC3)o2)sc1Cc1ccc(F)cc1F ZINC000907796396 857783127 /nfs/dbraw/zinc/78/31/27/857783127.db2.gz MMYDVRSAXAXNHE-UHFFFAOYSA-N -1 3 376.388 3.833 20 0 GHADHM O=C1[C@@H](SCc2cc(=O)[n-]c(C3CC3)n2)CCN1c1ccccc1Cl ZINC000569458071 857787439 /nfs/dbraw/zinc/78/74/39/857787439.db2.gz GFJDROJRGHCSBZ-HNNXBMFYSA-N -1 3 375.881 3.752 20 0 GHADHM CCCCOc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000065452377 857798978 /nfs/dbraw/zinc/79/89/78/857798978.db2.gz SUGDGRUEPKNIEQ-UHFFFAOYSA-N -1 3 397.475 3.561 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000486568192 857870806 /nfs/dbraw/zinc/87/08/06/857870806.db2.gz ZFVFGEQMZSUHPF-ZYHUDNBSSA-N -1 3 385.835 3.996 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000676416339 857872643 /nfs/dbraw/zinc/87/26/43/857872643.db2.gz LKQPKZQHKJEWNP-JKSUJKDBSA-N -1 3 384.270 3.597 20 0 GHADHM O=c1nc(CN2CCC[C@@H](n3ccnc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000676476980 857898004 /nfs/dbraw/zinc/89/80/04/857898004.db2.gz DFPVLLBERAYUON-CYBMUJFWSA-N -1 3 381.461 3.691 20 0 GHADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n[nH]1 ZINC000486613563 857900352 /nfs/dbraw/zinc/90/03/52/857900352.db2.gz ZWTALVSOJMPATH-IUCAKERBSA-N -1 3 394.394 3.516 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1)C1CC1 ZINC000521436402 857993583 /nfs/dbraw/zinc/99/35/83/857993583.db2.gz VWSSYDORRJYELN-HNNXBMFYSA-N -1 3 384.548 3.769 20 0 GHADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OC1CCCC1 ZINC000032080752 858018195 /nfs/dbraw/zinc/01/81/95/858018195.db2.gz LYQHHZGHKQUVOP-QGOAFFKASA-N -1 3 378.428 3.740 20 0 GHADHM CO[C@](C)(C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000486718515 858020501 /nfs/dbraw/zinc/02/05/01/858020501.db2.gz ULCNLMJPBBTGRV-INIZCTEOSA-N -1 3 398.688 3.668 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2C2CC2)cc1OC ZINC000521491435 858039736 /nfs/dbraw/zinc/03/97/36/858039736.db2.gz RGRSBFGPERTZKN-UHFFFAOYSA-N -1 3 380.491 3.648 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Cl)c1Cl)c1cnccc1C(F)(F)F ZINC000442818189 858158920 /nfs/dbraw/zinc/15/89/20/858158920.db2.gz ZJNJUHBGRMZICO-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442912902 858220001 /nfs/dbraw/zinc/22/00/01/858220001.db2.gz FUKFZPRKGORQFV-CYBMUJFWSA-N -1 3 388.411 3.994 20 0 GHADHM CC1(C)CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000442921116 858244804 /nfs/dbraw/zinc/24/48/04/858244804.db2.gz IVXHBFQZINNEDB-CYBMUJFWSA-N -1 3 393.484 3.653 20 0 GHADHM CC[C@@H](C)n1c(SCC(=O)Nc2ncccc2[O-])nnc1-c1ccccc1 ZINC000543094687 858315397 /nfs/dbraw/zinc/31/53/97/858315397.db2.gz CCKJFWXURQIDHL-CYBMUJFWSA-N -1 3 383.477 3.748 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC000443084013 858343883 /nfs/dbraw/zinc/34/38/83/858343883.db2.gz WXPHDARZWFCIIO-SFHVURJKSA-N -1 3 395.427 3.571 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1C)C(C)C ZINC000443083009 858356962 /nfs/dbraw/zinc/35/69/62/858356962.db2.gz ZTONAPMOCCUXII-SFHVURJKSA-N -1 3 379.453 3.596 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000443107866 858365279 /nfs/dbraw/zinc/36/52/79/858365279.db2.gz ZSQZZKXFPQRBFD-NSHDSACASA-N -1 3 399.921 3.888 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000443130111 858396810 /nfs/dbraw/zinc/39/68/10/858396810.db2.gz MRSXETJOMMJLME-NEPJUHHUSA-N -1 3 399.559 3.640 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCC(C)(C)C2)cc1OC ZINC000443150908 858424500 /nfs/dbraw/zinc/42/45/00/858424500.db2.gz FLBGCTXUZFJTFQ-AWEZNQCLSA-N -1 3 383.514 3.547 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000521961970 858489113 /nfs/dbraw/zinc/48/91/13/858489113.db2.gz CYKKLBVVXYSNEO-UHFFFAOYSA-N -1 3 377.506 3.773 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1OCC(F)F)c1cc(Cl)ccc1Cl ZINC000443229071 858489941 /nfs/dbraw/zinc/48/99/41/858489941.db2.gz TZDYDLHKXZIJBM-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM O=C([N-]CC1CCN(C(=O)Nc2cccc3ccccc32)CC1)C(F)(F)F ZINC000281437175 863036595 /nfs/dbraw/zinc/03/65/95/863036595.db2.gz SWVUEQLJFFASFQ-UHFFFAOYSA-N -1 3 379.382 3.762 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000443413361 858657095 /nfs/dbraw/zinc/65/70/95/858657095.db2.gz CAKILDRKZVZEAT-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000443488442 858821615 /nfs/dbraw/zinc/82/16/15/858821615.db2.gz SFOPZEQCRSTANN-JSGCOSHPSA-N -1 3 380.337 3.911 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H]2c3cc(Br)ccc3CC2(C)C)n1 ZINC000429280854 858918895 /nfs/dbraw/zinc/91/88/95/858918895.db2.gz SEXGDVJJXKXADL-QGZVFWFLSA-N -1 3 376.298 3.920 20 0 GHADHM O=C(c1cccc(NCc2c(F)ccc([O-])c2F)c1)N1CCCC[C@@H]1CCO ZINC000509310019 859008968 /nfs/dbraw/zinc/00/89/68/859008968.db2.gz JHPVINBNRDSJLP-MRXNPFEDSA-N -1 3 390.430 3.660 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(C)c1 ZINC000184874997 859012732 /nfs/dbraw/zinc/01/27/32/859012732.db2.gz RVTUSMKKXPKXEK-HNNXBMFYSA-N -1 3 379.453 3.659 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC(=O)NC1CCCCC1 ZINC000470623057 859037258 /nfs/dbraw/zinc/03/72/58/859037258.db2.gz VNROFJKGGPIVIU-UHFFFAOYSA-N -1 3 398.912 3.512 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1csc(-c2ccccc2)n1 ZINC000532195914 881381152 /nfs/dbraw/zinc/38/11/52/881381152.db2.gz IPGNDUXZVKZMGF-UHFFFAOYSA-N -1 3 377.516 3.623 20 0 GHADHM COCc1nc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)ccc2o1 ZINC000194600743 859193247 /nfs/dbraw/zinc/19/32/47/859193247.db2.gz HHZCEKZFCSFEIC-UHFFFAOYSA-N -1 3 384.816 3.709 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000483180129 859193390 /nfs/dbraw/zinc/19/33/90/859193390.db2.gz UOXIXKHSMHYJCL-AWEZNQCLSA-N -1 3 385.365 3.693 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1)C(=O)[O-] ZINC000909519017 859249218 /nfs/dbraw/zinc/24/92/18/859249218.db2.gz GWJUCTKZUQCNIG-APWZRJJASA-N -1 3 398.478 3.940 20 0 GHADHM Cc1cnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)nc1 ZINC000673444652 859309903 /nfs/dbraw/zinc/30/99/03/859309903.db2.gz WFLMQZYXAWFGFG-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543349301 859336577 /nfs/dbraw/zinc/33/65/77/859336577.db2.gz JOJJCCVGZRQTTB-ZDUSSCGKSA-N -1 3 397.504 3.791 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543349294 859336896 /nfs/dbraw/zinc/33/68/96/859336896.db2.gz JOJJCCVGZRQTTB-CYBMUJFWSA-N -1 3 397.504 3.791 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)C1 ZINC000923468499 859345337 /nfs/dbraw/zinc/34/53/37/859345337.db2.gz ALUUCVAYFBFPPK-FQEVSTJZSA-N -1 3 388.489 3.674 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C1CC1 ZINC000923528893 859397409 /nfs/dbraw/zinc/39/74/09/859397409.db2.gz MJGLCYOYULZKJQ-JKSUJKDBSA-N -1 3 391.265 3.647 20 0 GHADHM O=C([O-])[C@@H]1CN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C[C@H]1C1CC1 ZINC000923529804 859398938 /nfs/dbraw/zinc/39/89/38/859398938.db2.gz RODUWVOWKZHXPP-XUVXKRRUSA-N -1 3 382.435 3.548 20 0 GHADHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000543683637 859418790 /nfs/dbraw/zinc/41/87/90/859418790.db2.gz ADACWSVQZOPDDU-OAHLLOKOSA-N -1 3 386.395 3.661 20 0 GHADHM O=C([O-])c1ccc(N2CCC(NCc3cscc3Br)CC2)cc1 ZINC000417544904 859514141 /nfs/dbraw/zinc/51/41/41/859514141.db2.gz IIUNCNXERQLWMF-UHFFFAOYSA-N -1 3 395.322 3.967 20 0 GHADHM Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503540 859612469 /nfs/dbraw/zinc/61/24/69/859612469.db2.gz JIJSMSDOMDHGRT-OCCSQVGLSA-N -1 3 381.432 3.543 20 0 GHADHM Cc1cc(CCCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(C)s1 ZINC000673505610 859615831 /nfs/dbraw/zinc/61/58/31/859615831.db2.gz PNACJFWMMUDYFO-KGLIPLIRSA-N -1 3 389.521 3.568 20 0 GHADHM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@H](C)CO1 ZINC000895544037 859642535 /nfs/dbraw/zinc/64/25/35/859642535.db2.gz ZZGBVGDBDMKXDD-ZUOKHONESA-N -1 3 398.409 3.717 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@](C)(O)c1ccccc1Cl ZINC000765167400 859816854 /nfs/dbraw/zinc/81/68/54/859816854.db2.gz OMYIOALYBYPLCX-GOSISDBHSA-N -1 3 397.855 3.720 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCSC2(CCCCC2)C1 ZINC000484196661 859885110 /nfs/dbraw/zinc/88/51/10/859885110.db2.gz DDROJHOCLAAPIJ-UHFFFAOYSA-N -1 3 378.444 3.698 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)cs1 ZINC000052736755 859888695 /nfs/dbraw/zinc/88/86/95/859888695.db2.gz CBNXMTFOEGBNGK-UHFFFAOYSA-N -1 3 375.453 3.890 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(C(C)C)cc3)nc2)n1 ZINC000597915922 859924799 /nfs/dbraw/zinc/92/47/99/859924799.db2.gz JURDKBXAFBCUQC-UHFFFAOYSA-N -1 3 378.476 3.843 20 0 GHADHM Cc1ccc(OCCC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000428854934 859995762 /nfs/dbraw/zinc/99/57/62/859995762.db2.gz BMKRPMFFUYNQIP-UHFFFAOYSA-N -1 3 378.266 3.857 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(F)c3Br)nc21 ZINC000484415152 859996249 /nfs/dbraw/zinc/99/62/49/859996249.db2.gz KUETVNWPMBCAMB-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccncc3)s2)cc1OC ZINC000903996587 860021058 /nfs/dbraw/zinc/02/10/58/860021058.db2.gz HYXDELFETUDIMU-INIZCTEOSA-N -1 3 399.472 3.528 20 0 GHADHM CN1CC[C@@H](CSc2n[n-]c(=Nc3cccc(Br)c3)s2)C1 ZINC000484492533 860032246 /nfs/dbraw/zinc/03/22/46/860032246.db2.gz AJRUWZYRHNSDNR-SNVBAGLBSA-N -1 3 385.356 3.510 20 0 GHADHM Cn1ncc(CN[C@@H](CSCc2cccc3ccccc32)C(=O)[O-])c1Cl ZINC000904015287 860024787 /nfs/dbraw/zinc/02/47/87/860024787.db2.gz KQWDMDKTWPSYOL-KRWDZBQOSA-N -1 3 389.908 3.703 20 0 GHADHM Cc1ccc(C[C@@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])cc1C ZINC000904020140 860030295 /nfs/dbraw/zinc/03/02/95/860030295.db2.gz DDFOMBRUQZCWJW-OAHLLOKOSA-N -1 3 397.700 3.900 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436543257 860039699 /nfs/dbraw/zinc/03/96/99/860039699.db2.gz HBXYAVFAEYVPNJ-CQSZACIVSA-N -1 3 377.849 3.705 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)c2cc3c(cc2[O-])OCO3)c2ccccn2)cc1 ZINC000436550094 860046958 /nfs/dbraw/zinc/04/69/58/860046958.db2.gz YSMCMSFIWWJLCQ-GOSISDBHSA-N -1 3 376.412 3.538 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(Cl)c2)c1 ZINC000727359684 860053308 /nfs/dbraw/zinc/05/33/08/860053308.db2.gz SEHLWWULSCKJCR-UHFFFAOYSA-N -1 3 398.937 3.703 20 0 GHADHM CC1(C)CC[C@@H](OC(=O)c2n[n-]c(-c3ccccc3)c2Br)C1=O ZINC000840325839 860094738 /nfs/dbraw/zinc/09/47/38/860094738.db2.gz BNTPZDBGLMICDU-LLVKDONJSA-N -1 3 377.238 3.754 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C(=O)NCC(C)C)c3)n[n-]2)o1 ZINC000727515397 860126872 /nfs/dbraw/zinc/12/68/72/860126872.db2.gz XMFQSWGWUTWTOW-UHFFFAOYSA-N -1 3 381.432 3.721 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C(=O)NCC(C)C)c3)[n-]n2)o1 ZINC000727515397 860126875 /nfs/dbraw/zinc/12/68/75/860126875.db2.gz XMFQSWGWUTWTOW-UHFFFAOYSA-N -1 3 381.432 3.721 20 0 GHADHM COc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1N1CCCC1=O ZINC000471626459 860146091 /nfs/dbraw/zinc/14/60/91/860146091.db2.gz GFDWZMNZVRPFJT-UHFFFAOYSA-N -1 3 376.412 3.933 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c(C)c1 ZINC000154558640 860176701 /nfs/dbraw/zinc/17/67/01/860176701.db2.gz HSRKDYLOBWKBEJ-UHFFFAOYSA-N -1 3 375.490 3.970 20 0 GHADHM CN1C(=O)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000527460728 860180189 /nfs/dbraw/zinc/18/01/89/860180189.db2.gz XVKRYVSVUFEVDC-GHTZIAJQSA-N -1 3 396.393 3.525 20 0 GHADHM Cn1c(=O)c2sccc2nc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000253612960 860233124 /nfs/dbraw/zinc/23/31/24/860233124.db2.gz BPMRIZVNYWGTBQ-UHFFFAOYSA-N -1 3 396.453 3.682 20 0 GHADHM Cc1cccc(OCCCNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1C ZINC000904234971 860272766 /nfs/dbraw/zinc/27/27/66/860272766.db2.gz DZIFZHWEZXWQNK-UHFFFAOYSA-N -1 3 386.492 3.756 20 0 GHADHM COc1ccc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)c(OC)c1 ZINC000024810864 860347933 /nfs/dbraw/zinc/34/79/33/860347933.db2.gz QMVRBTUVPHJXKF-UHFFFAOYSA-N -1 3 379.416 3.731 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(C2CCCC2)no1 ZINC000904351358 860358332 /nfs/dbraw/zinc/35/83/32/860358332.db2.gz CAPUSLWVEOJNSM-INIZCTEOSA-N -1 3 395.550 3.808 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)nc1 ZINC000471792463 860380715 /nfs/dbraw/zinc/38/07/15/860380715.db2.gz KTGCUUJDAPADQA-QGZVFWFLSA-N -1 3 389.455 3.740 20 0 GHADHM COCCNC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1Cl ZINC000471801413 860406142 /nfs/dbraw/zinc/40/61/42/860406142.db2.gz VJRPPJWKVRPAQQ-UHFFFAOYSA-N -1 3 398.846 3.827 20 0 GHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000484923651 860500844 /nfs/dbraw/zinc/50/08/44/860500844.db2.gz KYHDWKNNHNGOQV-UHFFFAOYSA-N -1 3 396.509 3.877 20 0 GHADHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c2cccc(OC(F)(F)F)c2n1 ZINC000568703858 860526183 /nfs/dbraw/zinc/52/61/83/860526183.db2.gz VYCNPEHUKBBCFE-UHFFFAOYSA-N -1 3 376.338 3.500 20 0 GHADHM CCCCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000061021714 860567823 /nfs/dbraw/zinc/56/78/23/860567823.db2.gz DEQAVZAALVBSCQ-UHFFFAOYSA-N -1 3 380.293 3.781 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CCCC(F)(F)C3)[n-]c(=O)c12 ZINC000509066436 860780052 /nfs/dbraw/zinc/78/00/52/860780052.db2.gz NFSQTQPOQNELRP-SNVBAGLBSA-N -1 3 383.420 3.743 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1OC(C)C ZINC000265901401 860783595 /nfs/dbraw/zinc/78/35/95/860783595.db2.gz DTKWSHJDRRYJBO-UHFFFAOYSA-N -1 3 390.461 3.540 20 0 GHADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)n1ccc2ccccc2c1=O ZINC000509068188 860789138 /nfs/dbraw/zinc/78/91/38/860789138.db2.gz SPLZYBODMKRYKN-ZDUSSCGKSA-N -1 3 399.410 3.733 20 0 GHADHM COc1cccc(-c2nc(C[S@@](=O)c3ccc([O-])cc3)cs2)c1OC ZINC000170973491 860794017 /nfs/dbraw/zinc/79/40/17/860794017.db2.gz ASLXCXUGXGQMST-RUZDIDTESA-N -1 3 375.471 3.841 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2csc3ccccc32)s1 ZINC000730016397 860839804 /nfs/dbraw/zinc/83/98/04/860839804.db2.gz CCRUGKCONJLTLT-SNVBAGLBSA-N -1 3 381.500 3.789 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@H](c2cccc(F)c2)C1 ZINC000640293767 881586684 /nfs/dbraw/zinc/58/66/84/881586684.db2.gz YAAVOVCXXGDYKM-NSHDSACASA-N -1 3 390.768 3.681 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCc2ccccc2F)s1 ZINC000481252361 860866970 /nfs/dbraw/zinc/86/69/70/860866970.db2.gz CRMFKNDNYONXOF-UHFFFAOYSA-N -1 3 392.315 3.869 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000102889634 860885651 /nfs/dbraw/zinc/88/56/51/860885651.db2.gz WTXRPLWFDVCBHP-UHFFFAOYSA-N -1 3 385.733 3.529 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000102889634 860885665 /nfs/dbraw/zinc/88/56/65/860885665.db2.gz WTXRPLWFDVCBHP-UHFFFAOYSA-N -1 3 385.733 3.529 20 0 GHADHM CCC[C@@H](OCC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000623342788 860890859 /nfs/dbraw/zinc/89/08/59/860890859.db2.gz OJMWPSMOWMJAAL-LJQANCHMSA-N -1 3 390.505 3.940 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000509087593 860924902 /nfs/dbraw/zinc/92/49/02/860924902.db2.gz RZZPJMBKNVLQID-UHFFFAOYSA-N -1 3 399.223 3.905 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c2nccc(C)c2c1 ZINC000792678316 881597778 /nfs/dbraw/zinc/59/77/78/881597778.db2.gz JYWYQRZPIFKYGV-UHFFFAOYSA-N -1 3 375.384 3.964 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000178867553 861016604 /nfs/dbraw/zinc/01/66/04/861016604.db2.gz RMULYPYJMDRDOX-UHFFFAOYSA-N -1 3 391.899 3.906 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365020 861073220 /nfs/dbraw/zinc/07/32/20/861073220.db2.gz UNCGXMSHIZYKQR-LBPRGKRZSA-N -1 3 392.249 3.531 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365019 861073657 /nfs/dbraw/zinc/07/36/57/861073657.db2.gz UNCGXMSHIZYKQR-GFCCVEGCSA-N -1 3 392.249 3.531 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC23CCCCC3)ccc1F ZINC000760084996 861097746 /nfs/dbraw/zinc/09/77/46/861097746.db2.gz CBRJSDRDMNCNPY-UHFFFAOYSA-N -1 3 396.528 3.841 20 0 GHADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000605592591 863164646 /nfs/dbraw/zinc/16/46/46/863164646.db2.gz CCNHBAMQOYHYLY-LLVKDONJSA-N -1 3 384.723 3.586 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC000522758479 863206573 /nfs/dbraw/zinc/20/65/73/863206573.db2.gz GWSAWQLUHQISTM-UHFFFAOYSA-N -1 3 398.478 3.571 20 0 GHADHM COc1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc(OC)c1[O-] ZINC000764024480 863254540 /nfs/dbraw/zinc/25/45/40/863254540.db2.gz DPUVTBVKFBLDNO-UHFFFAOYSA-N -1 3 380.444 3.911 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1C ZINC000733895003 863322498 /nfs/dbraw/zinc/32/24/98/863322498.db2.gz MQCNLYSROXOFIB-SFHVURJKSA-N -1 3 390.483 3.924 20 0 GHADHM Cc1cc(F)ccc1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482588045 863348686 /nfs/dbraw/zinc/34/86/86/863348686.db2.gz FOPWEBVUEKGNIG-UHFFFAOYSA-N -1 3 381.245 3.644 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(OCc2cccs2)c1 ZINC000120591803 881679929 /nfs/dbraw/zinc/67/99/29/881679929.db2.gz WIGFPOSKMRUCKB-UHFFFAOYSA-N -1 3 391.456 3.683 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(OCc2cccs2)c1 ZINC000120591803 881679942 /nfs/dbraw/zinc/67/99/42/881679942.db2.gz WIGFPOSKMRUCKB-UHFFFAOYSA-N -1 3 391.456 3.683 20 0 GHADHM Fc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000737670057 863650087 /nfs/dbraw/zinc/65/00/87/863650087.db2.gz SEVDYRVCCAYNLS-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000737670057 863650092 /nfs/dbraw/zinc/65/00/92/863650092.db2.gz SEVDYRVCCAYNLS-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1ccc(-n2nc(C(=O)NCc3ccc([O-])c(F)c3)c3c2CCCC3)cc1 ZINC000606536772 863695257 /nfs/dbraw/zinc/69/52/57/863695257.db2.gz FLLLSVFFKUIRAC-UHFFFAOYSA-N -1 3 379.435 3.834 20 0 GHADHM CC(C)c1nc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1ccccc1Cl ZINC000606537047 863695613 /nfs/dbraw/zinc/69/56/13/863695613.db2.gz ZOKFZGMBESBHQK-UHFFFAOYSA-N -1 3 388.830 3.819 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)c2ccccc12 ZINC000606751661 863817750 /nfs/dbraw/zinc/81/77/50/863817750.db2.gz BTYWGSLHKCYSIY-UHFFFAOYSA-N -1 3 381.457 3.995 20 0 GHADHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000607054962 864015477 /nfs/dbraw/zinc/01/54/77/864015477.db2.gz HLRMGLLZPUZIBA-GOSISDBHSA-N -1 3 379.416 3.812 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1C(F)(F)F ZINC000856751054 881719115 /nfs/dbraw/zinc/71/91/15/881719115.db2.gz WMZUWLOBWJEADA-SSDOTTSWSA-N -1 3 380.190 3.707 20 0 GHADHM CC(C)(C)c1nnc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])[nH]1 ZINC001141988582 864263782 /nfs/dbraw/zinc/26/37/82/864263782.db2.gz AOPKJHQQLROWIK-UHFFFAOYSA-N -1 3 378.476 3.523 20 0 GHADHM CC[C@@H]1CCC[C@@H](OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)C1 ZINC000734720408 864405123 /nfs/dbraw/zinc/40/51/23/864405123.db2.gz RALFWEYFZFNRAF-CRAIPNDOSA-N -1 3 383.510 3.728 20 0 GHADHM Cc1csc([N-]C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)n1 ZINC000101631876 864437963 /nfs/dbraw/zinc/43/79/63/864437963.db2.gz MHKRILQVCRIGNU-UHFFFAOYSA-N -1 3 399.563 3.766 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])n1ccc2ccccc2c1=O ZINC000554501222 864450595 /nfs/dbraw/zinc/45/05/95/864450595.db2.gz XNEXZDMKUKKUAG-LLVKDONJSA-N -1 3 387.233 3.669 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000192674394 864452879 /nfs/dbraw/zinc/45/28/79/864452879.db2.gz JWIWUJKNMHVTBE-LBPRGKRZSA-N -1 3 392.862 3.695 20 0 GHADHM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000607614458 864558276 /nfs/dbraw/zinc/55/82/76/864558276.db2.gz PFVLOIYLQDWTIC-UHFFFAOYSA-N -1 3 392.440 3.926 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163734974 864559041 /nfs/dbraw/zinc/55/90/41/864559041.db2.gz ODXUNRCZZPPDMX-UHFFFAOYSA-N -1 3 396.466 3.984 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000621903240 864583904 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O=S(=O)(NCc1ncccc1[O-])c1ccc(Oc2ccccc2Cl)cc1 ZINC000480722173 865144646 /nfs/dbraw/zinc/14/46/46/865144646.db2.gz AZRIJQINLKXVKQ-UHFFFAOYSA-N -1 3 390.848 3.711 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc2ccccc2s1 ZINC000736189740 865152256 /nfs/dbraw/zinc/15/22/56/865152256.db2.gz BTDJFRAIQPPZEZ-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc2ccccc2s1 ZINC000736189740 865152262 /nfs/dbraw/zinc/15/22/62/865152262.db2.gz BTDJFRAIQPPZEZ-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCCC[C@@H]3C)c2-c2nnn[n-]2)C1 ZINC000736280211 865170286 /nfs/dbraw/zinc/17/02/86/865170286.db2.gz OMQWXNLVHAHZNG-MBNYWOFBSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCCC[C@@H]3C)c2-c2nn[n-]n2)C1 ZINC000736280211 865170292 /nfs/dbraw/zinc/17/02/92/865170292.db2.gz OMQWXNLVHAHZNG-MBNYWOFBSA-N -1 3 389.525 3.587 20 0 GHADHM COc1ccc(Sc2nsc([N-]C(=O)c3ccc4cccnc4n3)n2)cc1 ZINC001126893652 865356286 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GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(Cl)ccc1F ZINC000737948312 865464316 /nfs/dbraw/zinc/46/43/16/865464316.db2.gz TZGJCYCELOXNFA-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCCC[C@H]1c1ccccc1 ZINC000738099402 865485436 /nfs/dbraw/zinc/48/54/36/865485436.db2.gz DQVWTOOCZGGDEF-IBGZPJMESA-N -1 3 394.454 3.833 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCCC[C@H]1c1ccccc1 ZINC000738099402 865485442 /nfs/dbraw/zinc/48/54/42/865485442.db2.gz DQVWTOOCZGGDEF-IBGZPJMESA-N -1 3 394.454 3.833 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)nc2)n1 ZINC000301671943 865487623 /nfs/dbraw/zinc/48/76/23/865487623.db2.gz ZESYRMXOYSWFDK-CXAGYDPISA-N -1 3 382.489 3.835 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ccn(-c2cccc(F)c2)n1 ZINC000738294032 865522803 /nfs/dbraw/zinc/52/28/03/865522803.db2.gz AWWOJPUSCHYQRT-UHFFFAOYSA-N -1 3 375.403 3.955 20 0 GHADHM C[C@H](CCc1ccc(Br)cc1)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000920176896 881885990 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GHADHM CCOc1ccc(-c2nc(CC(=O)NCc3ccc([O-])c(F)c3)cs2)cc1 ZINC000133059268 881901082 /nfs/dbraw/zinc/90/10/82/881901082.db2.gz YRXSECUARJLJJS-UHFFFAOYSA-N -1 3 386.448 3.912 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000494555821 881901918 /nfs/dbraw/zinc/90/19/18/881901918.db2.gz YLAMHRPGHFIVGQ-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000481074593 865762492 /nfs/dbraw/zinc/76/24/92/865762492.db2.gz QJXRRNWDLOQMBJ-CQSZACIVSA-N -1 3 377.359 3.806 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1ccc2ccccc2c1 ZINC000740238808 865865713 /nfs/dbraw/zinc/86/57/13/865865713.db2.gz YOVHEQSYGACMRU-UHFFFAOYSA-N -1 3 395.889 3.576 20 0 GHADHM COc1cccc2c1CC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000121087728 881913982 /nfs/dbraw/zinc/91/39/82/881913982.db2.gz JBNATHLLALFBTN-OAHLLOKOSA-N -1 3 391.265 3.650 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121095561 881919243 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CCSCC[C@H](C)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000175592665 866003974 /nfs/dbraw/zinc/00/39/74/866003974.db2.gz WIRRZTRWDUHBHF-NSHDSACASA-N -1 3 397.338 3.894 20 0 GHADHM COc1cccc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1[O-] ZINC000156965286 866037512 /nfs/dbraw/zinc/03/75/12/866037512.db2.gz YAXOIKASSRULDF-UHFFFAOYSA-N -1 3 379.203 3.541 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(F)ccc1SCC(F)F ZINC000481228906 866064535 /nfs/dbraw/zinc/06/45/35/866064535.db2.gz PIJKUPMGSFTEKN-UHFFFAOYSA-N -1 3 399.320 3.642 20 0 GHADHM O=c1[n-]nc(SCc2ccn(-c3cccc(F)c3)n2)n1CCc1ccccc1 ZINC000623174114 866068036 /nfs/dbraw/zinc/06/80/36/866068036.db2.gz HTPOWMLFOLOPOW-UHFFFAOYSA-N -1 3 395.463 3.844 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3F)oc2C)c([O-])c1 ZINC000740927402 866111158 /nfs/dbraw/zinc/11/11/58/866111158.db2.gz BCMMKIVYLZUDAW-UHFFFAOYSA-N -1 3 384.363 3.924 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000056138247 866205543 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GHADHM COc1ccc(CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](C)C2CC2)c(OC)c1 ZINC000582251212 866570238 /nfs/dbraw/zinc/57/02/38/866570238.db2.gz ODMUFFCZWJFXEN-ZDUSSCGKSA-N -1 3 397.475 3.518 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1Cl ZINC000478749345 866586411 /nfs/dbraw/zinc/58/64/11/866586411.db2.gz VGDMYTRBTFTVIL-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1Cl ZINC000478749345 866586431 /nfs/dbraw/zinc/58/64/31/866586431.db2.gz VGDMYTRBTFTVIL-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)[N-]c3nc4ccccn4n3)cs2)cc1 ZINC000133144732 881996195 /nfs/dbraw/zinc/99/61/95/881996195.db2.gz IZSKNBVDORYEOK-UHFFFAOYSA-N -1 3 379.445 3.892 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)ccc1F ZINC000741649611 866692661 /nfs/dbraw/zinc/69/26/61/866692661.db2.gz GHAVCBSEAVHFSC-DOTOQJQBSA-N -1 3 396.528 3.601 20 0 GHADHM COCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000121265571 882013795 /nfs/dbraw/zinc/01/37/95/882013795.db2.gz IHXLIXNEKTUSSB-UHFFFAOYSA-N -1 3 390.505 3.859 20 0 GHADHM CC(C)N(CC1CCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000444527184 866833848 /nfs/dbraw/zinc/83/38/48/866833848.db2.gz NJVCBARCURDGMN-UHFFFAOYSA-N -1 3 393.484 3.605 20 0 GHADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000620575852 866854630 /nfs/dbraw/zinc/85/46/30/866854630.db2.gz JLFNXJQVOPPNQW-UONOGXRCSA-N -1 3 393.484 3.748 20 0 GHADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1F ZINC000523240504 866911696 /nfs/dbraw/zinc/91/16/96/866911696.db2.gz RWWAVGLXDJAXNY-UHFFFAOYSA-N -1 3 397.884 3.519 20 0 GHADHM CCN(CCOc1ccccc1OC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000620715645 867083459 /nfs/dbraw/zinc/08/34/59/867083459.db2.gz PILGSSQLSKFPGV-UHFFFAOYSA-N -1 3 375.440 3.790 20 0 GHADHM Cc1nc(C)c(C(=O)[N-]c2nnc(-c3cccc(OC(F)(F)F)c3)s2)o1 ZINC000553308350 867175734 /nfs/dbraw/zinc/17/57/34/867175734.db2.gz RIFNXRDABKIBIC-UHFFFAOYSA-N -1 3 384.339 3.961 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)n[n-]1 ZINC000444764128 867194766 /nfs/dbraw/zinc/19/47/66/867194766.db2.gz XNOSRIMNVCTBRZ-YJBOKZPZSA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)[n-]1 ZINC000444764128 867194773 /nfs/dbraw/zinc/19/47/73/867194773.db2.gz XNOSRIMNVCTBRZ-YJBOKZPZSA-N -1 3 398.507 3.517 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Sc1ccccc1 ZINC000742332023 867211788 /nfs/dbraw/zinc/21/17/88/867211788.db2.gz BTUUEOXTYVVSPR-JTQLQIEISA-N -1 3 377.318 3.848 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F)c1Cl ZINC000620751509 867249756 /nfs/dbraw/zinc/24/97/56/867249756.db2.gz MKOVYAAJAYCCBL-QMMMGPOBSA-N -1 3 380.215 3.548 20 0 GHADHM CSc1c(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)cnn1C ZINC000479173704 867281419 /nfs/dbraw/zinc/28/14/19/867281419.db2.gz UKGLHRUVUOQLAY-UHFFFAOYSA-N -1 3 382.276 3.513 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)c(F)c1 ZINC000153591952 867311134 /nfs/dbraw/zinc/31/11/34/867311134.db2.gz FYTJCTWBOIRFRI-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553429835 867384302 /nfs/dbraw/zinc/38/43/02/867384302.db2.gz VOMXWXZLOVVLQO-PWSUYJOCSA-N -1 3 387.420 3.677 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1nc(Cc2ccccc2)no1 ZINC000553427206 867416582 /nfs/dbraw/zinc/41/65/82/867416582.db2.gz WFOCBHDZDPZRLA-LBPRGKRZSA-N -1 3 393.415 3.638 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Oc3ccccn3)cc1)OCO2 ZINC000479231820 867416680 /nfs/dbraw/zinc/41/66/80/867416680.db2.gz KMRNOLMWRIMSTE-UHFFFAOYSA-N -1 3 384.413 3.712 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000553454180 867446720 /nfs/dbraw/zinc/44/67/20/867446720.db2.gz UZBMJGJMPIFWOO-QGZVFWFLSA-N -1 3 391.349 3.865 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000534798234 867531234 /nfs/dbraw/zinc/53/12/34/867531234.db2.gz HOEXCEFOBXSMMT-UHFFFAOYSA-N -1 3 397.382 3.654 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1Br ZINC000542485621 882103730 /nfs/dbraw/zinc/10/37/30/882103730.db2.gz GYXXOCZEMOAUJW-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM CCOC(=O)C(=Cc1cncc(OCC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000857201967 882112824 /nfs/dbraw/zinc/11/28/24/882112824.db2.gz IWKHUTLAYRXTRF-NVNXTCNLSA-N -1 3 399.472 3.911 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)s1 ZINC000479408120 867731579 /nfs/dbraw/zinc/73/15/79/867731579.db2.gz MXVLYSQTQCRWJI-ZYHUDNBSSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c2ccccc2n1 ZINC000155294865 867856395 /nfs/dbraw/zinc/85/63/95/867856395.db2.gz CZCCPGMWYHCNBC-AREMUKBSSA-N -1 3 381.379 3.507 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(Br)cn3C(C)C)n[n-]2)o1 ZINC000479472001 867871700 /nfs/dbraw/zinc/87/17/00/867871700.db2.gz BPEIOVLREALIHQ-UHFFFAOYSA-N -1 3 378.230 3.770 20 0 GHADHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000445223810 868015486 /nfs/dbraw/zinc/01/54/86/868015486.db2.gz WELZOZUICPPISV-UHFFFAOYSA-N -1 3 395.301 3.517 20 0 GHADHM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc([O-])c2ccccc2c1 ZINC000553722943 868038431 /nfs/dbraw/zinc/03/84/31/868038431.db2.gz NYGWATXIXCNBNQ-UHFFFAOYSA-N -1 3 378.359 3.590 20 0 GHADHM COc1cc(N[C@@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)cc(OC)c1 ZINC000508844442 868285150 /nfs/dbraw/zinc/28/51/50/868285150.db2.gz ZWYYYXZNZRVQDV-CYBMUJFWSA-N -1 3 378.419 3.764 20 0 GHADHM Cn1cc(Nc2cccc(C(=O)Nc3cc(Br)ccc3[O-])c2)cn1 ZINC000156603578 868413611 /nfs/dbraw/zinc/41/36/11/868413611.db2.gz QUSBKAQOMGKNEM-UHFFFAOYSA-N -1 3 387.237 3.884 20 0 GHADHM CCc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cnn1CCC(C)C ZINC000648431702 882206320 /nfs/dbraw/zinc/20/63/20/882206320.db2.gz AVHREPLLHJRYAZ-UHFFFAOYSA-N -1 3 391.825 3.578 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000648431258 882208966 /nfs/dbraw/zinc/20/89/66/882208966.db2.gz OJYGLFPELGPLKZ-NXEZZACHSA-N -1 3 378.181 3.916 20 0 GHADHM COc1cccc2c1OCC(C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)=C2 ZINC000744219805 868675922 /nfs/dbraw/zinc/67/59/22/868675922.db2.gz WKSIQIMXRDPMDZ-UHFFFAOYSA-N -1 3 390.395 3.548 20 0 GHADHM COc1ccccc1C1(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000744219403 868675968 /nfs/dbraw/zinc/67/59/68/868675968.db2.gz RCWWDRUWBKJSGJ-UHFFFAOYSA-N -1 3 376.412 3.803 20 0 GHADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc(C)c1OC(F)F ZINC000648432657 882219524 /nfs/dbraw/zinc/21/95/24/882219524.db2.gz DECDRQKLYDWHKD-UHFFFAOYSA-N -1 3 397.731 3.991 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000648432881 882220390 /nfs/dbraw/zinc/22/03/90/882220390.db2.gz LCPSJWMKUUKHPG-CXAGYDPISA-N -1 3 383.801 3.753 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433048 882221707 /nfs/dbraw/zinc/22/17/07/882221707.db2.gz QMHMLQCYRXOACG-SNVBAGLBSA-N -1 3 377.769 3.867 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3nc(C)n(C)c3c2)[nH][n-]1 ZINC000479944901 868766844 /nfs/dbraw/zinc/76/68/44/868766844.db2.gz ZMEIRERXZGCVQZ-UHFFFAOYSA-N -1 3 395.850 3.608 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccccc2Br)c([O-])c1 ZINC000535543735 868947728 /nfs/dbraw/zinc/94/77/28/868947728.db2.gz XBJRAWLEYIAUPP-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000524357404 868962918 /nfs/dbraw/zinc/96/29/18/868962918.db2.gz SBFOLTAKUZMFFB-SFHVURJKSA-N -1 3 395.503 3.937 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(=O)[nH]c3ccccc32)[nH][n-]1 ZINC000524459938 869084803 /nfs/dbraw/zinc/08/48/03/869084803.db2.gz JALBACOYQUVXRW-UHFFFAOYSA-N -1 3 394.818 3.667 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(-n2c(=O)[nH]c(CC(F)(F)F)c2[O-])c1 ZINC000445883630 869086309 /nfs/dbraw/zinc/08/63/09/869086309.db2.gz HHBFEJBVOBRFRI-CQSZACIVSA-N -1 3 392.337 3.708 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000508787613 882266732 /nfs/dbraw/zinc/26/67/32/882266732.db2.gz ZKIAARUFLQAPFG-LBPRGKRZSA-N -1 3 397.454 3.604 20 0 GHADHM CCN(CC)C(=O)C1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCCCC1 ZINC000857441293 882267011 /nfs/dbraw/zinc/26/70/11/882267011.db2.gz SOQTWEQURZRUBZ-UHFFFAOYSA-N -1 3 388.405 3.744 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000133555222 882273537 /nfs/dbraw/zinc/27/35/37/882273537.db2.gz UATJGTARMFTIRP-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM O=C(Oc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccsc2[n-]1 ZINC000744993520 869218470 /nfs/dbraw/zinc/21/84/70/869218470.db2.gz LSAWOZOMSSUDAU-UHFFFAOYSA-N -1 3 390.486 3.623 20 0 GHADHM COCCOCc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000462311959 869222526 /nfs/dbraw/zinc/22/25/26/869222526.db2.gz JOIJFITWGHTXHE-UHFFFAOYSA-N -1 3 392.415 3.633 20 0 GHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462346055 869266302 /nfs/dbraw/zinc/26/63/02/869266302.db2.gz MNXIBRBHWOQMRA-NXEZZACHSA-N -1 3 384.386 3.772 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462346058 869266284 /nfs/dbraw/zinc/26/62/84/869266284.db2.gz MNXIBRBHWOQMRA-ZJUUUORDSA-N -1 3 384.386 3.772 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000793581189 882285382 /nfs/dbraw/zinc/28/53/82/882285382.db2.gz OLXRCGQNCVIROF-GFCCVEGCSA-N -1 3 375.350 3.931 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000508626491 882291131 /nfs/dbraw/zinc/29/11/31/882291131.db2.gz WGOSXVISYIIGLY-UHFFFAOYSA-N -1 3 375.226 3.511 20 0 GHADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000446107418 869384130 /nfs/dbraw/zinc/38/41/30/869384130.db2.gz HGMIRTQWJHJMSP-UHFFFAOYSA-N -1 3 388.326 3.571 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C(C)C)C(C)C)cc1OC ZINC000446116667 869429098 /nfs/dbraw/zinc/42/90/98/869429098.db2.gz DLUBBDHXAKOMQF-UHFFFAOYSA-N -1 3 385.530 3.507 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1 ZINC000462471645 869511868 /nfs/dbraw/zinc/51/18/68/869511868.db2.gz WGQAWGCWZXBGTQ-UHFFFAOYSA-N -1 3 380.716 3.951 20 0 GHADHM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857545014 882328373 /nfs/dbraw/zinc/32/83/73/882328373.db2.gz ZPWOHCQRKOHGIB-VWLOTQADSA-N -1 3 387.479 3.889 20 0 GHADHM CN(C[C@](C)(O)c1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857545431 882328841 /nfs/dbraw/zinc/32/88/41/882328841.db2.gz NSUZIAYNJXSHAT-DEOSSOPVSA-N -1 3 375.468 3.963 20 0 GHADHM CCc1ccc2c(COC(=O)c3ccc(NC(=O)OC)c([O-])c3)cc(=O)oc2c1 ZINC000745656525 869714148 /nfs/dbraw/zinc/71/41/48/869714148.db2.gz YGSCKVIEGNUMPU-UHFFFAOYSA-N -1 3 397.383 3.596 20 0 GHADHM CC(F)(F)c1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640298733 882330238 /nfs/dbraw/zinc/33/02/38/882330238.db2.gz PDAHMWZFWGKOEA-UHFFFAOYSA-N -1 3 396.747 3.954 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3)C[C@@H](C)O)cc2)cc(=O)[n-]1 ZINC000524975798 869859597 /nfs/dbraw/zinc/85/95/97/869859597.db2.gz VZFYVIVDXPWVDX-OAHLLOKOSA-N -1 3 392.459 3.573 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Oc1ccccc1F ZINC000462699939 869915196 /nfs/dbraw/zinc/91/51/96/869915196.db2.gz MGVGYMSZTNOQSC-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1cccc(F)c1 ZINC000462714081 869922041 /nfs/dbraw/zinc/92/20/41/869922041.db2.gz JYVLXXWQPZXJJX-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000462715109 869924711 /nfs/dbraw/zinc/92/47/11/869924711.db2.gz RXVHQIZJVHZVDW-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM COCCc1noc(COC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])n1 ZINC000746079097 869996981 /nfs/dbraw/zinc/99/69/81/869996981.db2.gz MSHOMBDKUKBAHP-UHFFFAOYSA-N -1 3 388.807 3.642 20 0 GHADHM Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1O ZINC000184130689 870183404 /nfs/dbraw/zinc/18/34/04/870183404.db2.gz VLGQJKJDWKMSMP-HXUWFJFHSA-N -1 3 390.439 3.906 20 0 GHADHM CCOc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)cc(Cl)c1[O-] ZINC000186607226 870237528 /nfs/dbraw/zinc/23/75/28/870237528.db2.gz MGPCJPLFFYORPU-UHFFFAOYSA-N -1 3 398.956 3.536 20 0 GHADHM CO[C@H](CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2[O-])CC1)c1ccccc1 ZINC001192322519 870286791 /nfs/dbraw/zinc/28/67/91/870286791.db2.gz BWPIFQFCEKQUHU-JOCHJYFZSA-N -1 3 396.531 3.835 20 0 GHADHM CN(C(=O)c1ccc(C(C)(C)C)cc1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001192323550 870288988 /nfs/dbraw/zinc/28/89/88/870288988.db2.gz ZGCYQEFRRCRDPX-VQFNDLOPSA-N -1 3 388.508 3.627 20 0 GHADHM Cc1ccc([O-])c(CNCc2ccc(Cl)cc2I)n1 ZINC000446830600 870503041 /nfs/dbraw/zinc/50/30/41/870503041.db2.gz UPSGCAUYQSCOHO-UHFFFAOYSA-N -1 3 388.636 3.643 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1[O-] ZINC000538742080 870516050 /nfs/dbraw/zinc/51/60/50/870516050.db2.gz NLAWLPDIRNKOLN-IBGZPJMESA-N -1 3 394.471 3.523 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)c([O-])cc21 ZINC000461611019 870584771 /nfs/dbraw/zinc/58/47/71/870584771.db2.gz BVDLGEOXGLRSPB-UHFFFAOYSA-N -1 3 397.431 3.703 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000193282083 870584869 /nfs/dbraw/zinc/58/48/69/870584869.db2.gz UKQWJZLYOVKQKQ-HNNXBMFYSA-N -1 3 395.242 3.648 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC001192744553 870626543 /nfs/dbraw/zinc/62/65/43/870626543.db2.gz TWASGGNNGBJUBL-LBPRGKRZSA-N -1 3 395.406 3.676 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461624769 870649430 /nfs/dbraw/zinc/64/94/30/870649430.db2.gz DFMLDTNCUPANKJ-AWEZNQCLSA-N -1 3 381.476 3.523 20 0 GHADHM Cc1cc(C(=O)[N-]c2c(F)cc(F)c(F)c2Br)nc(Cl)n1 ZINC001192814424 870691502 /nfs/dbraw/zinc/69/15/02/870691502.db2.gz ZDSYLDDEQJRZGU-UHFFFAOYSA-N -1 3 380.551 3.871 20 0 GHADHM Cc1cc(C)cc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC001192875356 870717700 /nfs/dbraw/zinc/71/77/00/870717700.db2.gz PSBSOMLQPYUQMT-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM COCCn1ccc2ccc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)cc21 ZINC000538843681 870760280 /nfs/dbraw/zinc/76/02/80/870760280.db2.gz XTLUPQNUSKANRZ-UHFFFAOYSA-N -1 3 388.489 3.714 20 0 GHADHM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249255887 870796029 /nfs/dbraw/zinc/79/60/29/870796029.db2.gz GJHVQEWOCXPFDC-NVXWUHKLSA-N -1 3 386.876 3.574 20 0 GHADHM Cc1nc2cc(Cl)c([N-]C(=O)c3nnn(-c4ccccc4Cl)n3)cc2o1 ZINC001193049678 870840384 /nfs/dbraw/zinc/84/03/84/870840384.db2.gz LQFBVHMETHOYIB-UHFFFAOYSA-N -1 3 389.202 3.671 20 0 GHADHM C[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(-c2cccc(F)c2)no1 ZINC001193155268 870925150 /nfs/dbraw/zinc/92/51/50/870925150.db2.gz UPSGHTSAWYCMLN-ZDUSSCGKSA-N -1 3 391.406 3.889 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(O)cc1C(F)(F)F ZINC001193735195 871251693 /nfs/dbraw/zinc/25/16/93/871251693.db2.gz LDPUXYRPNRXPNV-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1F ZINC000447267693 871287288 /nfs/dbraw/zinc/28/72/88/871287288.db2.gz PMSXGIYMAHNEFA-UHFFFAOYSA-N -1 3 393.367 3.812 20 0 GHADHM Cc1cccc(C2(CNC(=O)c3ccc([O-])cc3C(F)(F)F)CCOCC2)n1 ZINC001193759071 871299291 /nfs/dbraw/zinc/29/92/91/871299291.db2.gz LKGJXXIGDHIHSR-UHFFFAOYSA-N -1 3 394.393 3.593 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1 ZINC001193798778 871311049 /nfs/dbraw/zinc/31/10/49/871311049.db2.gz FRRSACZHHGSOLN-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000542624371 871315877 /nfs/dbraw/zinc/31/58/77/871315877.db2.gz KBJOHBYPXNACMP-ABAIWWIYSA-N -1 3 395.415 3.587 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc2ncsc2c1 ZINC000447275189 871342942 /nfs/dbraw/zinc/34/29/42/871342942.db2.gz SKOGFYCXLOCIRT-UHFFFAOYSA-N -1 3 392.355 3.977 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000539119068 871342804 /nfs/dbraw/zinc/34/28/04/871342804.db2.gz MPGDYWJQSSNKJF-KRWDZBQOSA-N -1 3 387.892 3.733 20 0 GHADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1c[n-]c2ccccc2c1=O ZINC000618183358 871400839 /nfs/dbraw/zinc/40/08/39/871400839.db2.gz YJAVXUGFRMTJIV-UHFFFAOYSA-N -1 3 380.454 3.783 20 0 GHADHM CC1=C(c2ccco2)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640301449 882510279 /nfs/dbraw/zinc/51/02/79/882510279.db2.gz HOFBEYIUJOHELU-UHFFFAOYSA-N -1 3 388.777 3.825 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc(Cl)nc(C(F)(F)F)c1 ZINC001194052054 871465974 /nfs/dbraw/zinc/46/59/74/871465974.db2.gz URHJXLPVMXDZKX-UHFFFAOYSA-N -1 3 391.758 3.837 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)cc1F ZINC000122301873 882518468 /nfs/dbraw/zinc/51/84/68/882518468.db2.gz MXPFJYNVYBLHHA-GFCCVEGCSA-N -1 3 378.400 3.968 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000539223072 871536861 /nfs/dbraw/zinc/53/68/61/871536861.db2.gz TXPUOVHGJDLYMZ-HOCLYGCPSA-N -1 3 390.263 3.941 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3NC(=O)c3ccccc3)n[n-]2)o1 ZINC000181878437 871580160 /nfs/dbraw/zinc/58/01/60/871580160.db2.gz HXLQJKXHWXIBEF-UHFFFAOYSA-N -1 3 387.399 3.878 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)cc12 ZINC001194372778 871646951 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COc1ccc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1F ZINC000477791834 871915234 /nfs/dbraw/zinc/91/52/34/871915234.db2.gz DUGYLRUXMFPXKB-UHFFFAOYSA-N -1 3 396.422 3.670 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](c1nccn1C)C1CC1 ZINC000552108090 872030386 /nfs/dbraw/zinc/03/03/86/872030386.db2.gz UKWOGFKABYEZTQ-HNNXBMFYSA-N -1 3 379.869 3.558 20 0 GHADHM C[C@]12CC3CC(NC(=O)c4ccc([N-]S(C)(=O)=O)c(F)c4)(C1)C[C@@](C)(C3)C2 ZINC001194992086 872094088 /nfs/dbraw/zinc/09/40/88/872094088.db2.gz UBSQAVUKCYCRJE-GOSFSIBNSA-N -1 3 394.512 3.676 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(Cl)c(C)c3)c2)[n-]1 ZINC000447683175 872096634 /nfs/dbraw/zinc/09/66/34/872096634.db2.gz NRMZNMRBLLCXHT-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(Cl)c(C)c3)c2)n[n-]1 ZINC000447683175 872096654 /nfs/dbraw/zinc/09/66/54/872096654.db2.gz NRMZNMRBLLCXHT-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3(C)CCCCCC3)c2)[n-]1 ZINC000447688135 872119520 /nfs/dbraw/zinc/11/95/20/872119520.db2.gz WYVYBHXTIUUWPE-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3(C)CCCCCC3)c2)n[n-]1 ZINC000447688135 872119523 /nfs/dbraw/zinc/11/95/23/872119523.db2.gz WYVYBHXTIUUWPE-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCN(C)c1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000766969604 872127397 /nfs/dbraw/zinc/12/73/97/872127397.db2.gz UKDSNWHFGDKQIC-UHFFFAOYSA-N -1 3 392.297 3.610 20 0 GHADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Br)cc3[O-])cccc21 ZINC000447723029 872210794 /nfs/dbraw/zinc/21/07/94/872210794.db2.gz MNNPFCOHJCSMLI-OAHLLOKOSA-N -1 3 391.265 3.792 20 0 GHADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000150716717 872291378 /nfs/dbraw/zinc/29/13/78/872291378.db2.gz QSERSIQLIFZTDJ-UHFFFAOYSA-N -1 3 377.429 3.897 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000526932093 872331361 /nfs/dbraw/zinc/33/13/61/872331361.db2.gz FDZUVVCOIPYIAQ-KBPBESRZSA-N -1 3 376.453 3.558 20 0 GHADHM CN(CCc1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000767239206 872344617 /nfs/dbraw/zinc/34/46/17/872344617.db2.gz XSHYRCBLJYMKDE-UHFFFAOYSA-N -1 3 381.245 3.678 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N=c1cc([C@H]3CCCO3)[n-][nH]1)ccc2Br ZINC000526959136 872359970 /nfs/dbraw/zinc/35/99/70/872359970.db2.gz HYPGXNSGPPQOCQ-CQSZACIVSA-N -1 3 390.237 3.753 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)oc21 ZINC000526960122 872362723 /nfs/dbraw/zinc/36/27/23/872362723.db2.gz PNPQOAIYMFKODN-ZDUSSCGKSA-N -1 3 390.237 3.753 20 0 GHADHM CCS(=O)(=O)c1ccc2oc(COC(=O)c3cc4ccsc4[n-]3)nc2c1 ZINC000767267215 872374510 /nfs/dbraw/zinc/37/45/10/872374510.db2.gz BMRBETYJSIHNKO-UHFFFAOYSA-N -1 3 390.442 3.521 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000526982819 872412138 /nfs/dbraw/zinc/41/21/38/872412138.db2.gz CTPUZMDZYVOGCJ-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000094106255 872543610 /nfs/dbraw/zinc/54/36/10/872543610.db2.gz DWCAYGAJDVMXFL-SFHVURJKSA-N -1 3 384.501 3.725 20 0 GHADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000540951981 872602320 /nfs/dbraw/zinc/60/23/20/872602320.db2.gz GRUDGCMZRUZPHM-AWEZNQCLSA-N -1 3 384.386 3.896 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000619447913 872636959 /nfs/dbraw/zinc/63/69/59/872636959.db2.gz USZWGGNMGAEGPU-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c[n-]1 ZINC000619447913 872636967 /nfs/dbraw/zinc/63/69/67/872636967.db2.gz USZWGGNMGAEGPU-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1NC(=O)OC(C)(C)C ZINC001195810148 872680773 /nfs/dbraw/zinc/68/07/73/872680773.db2.gz CXNAGGKWJZHWHW-UHFFFAOYSA-N -1 3 378.450 3.848 20 0 GHADHM Cc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1NC(=O)OC(C)(C)C ZINC001195810148 872680778 /nfs/dbraw/zinc/68/07/78/872680778.db2.gz CXNAGGKWJZHWHW-UHFFFAOYSA-N -1 3 378.450 3.848 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129373553 872692910 /nfs/dbraw/zinc/69/29/10/872692910.db2.gz SZZDOFBZNRPURX-YLJYHZDGSA-N -1 3 398.469 3.809 20 0 GHADHM O=S(=O)(NCC1(Cc2ccncc2)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195829880 872698886 /nfs/dbraw/zinc/69/88/86/872698886.db2.gz SESWNQHADNUIPA-UHFFFAOYSA-N -1 3 396.459 3.504 20 0 GHADHM O=S(=O)(NC1(c2cccc(F)c2)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195835792 872703583 /nfs/dbraw/zinc/70/35/83/872703583.db2.gz MXVKZRDKLCMPPC-UHFFFAOYSA-N -1 3 385.407 3.914 20 0 GHADHM CC(C)c1nc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)nn1-c1ccccc1F ZINC000742064747 872765383 /nfs/dbraw/zinc/76/53/83/872765383.db2.gz ZOQKSNOUYATHPH-UHFFFAOYSA-N -1 3 397.439 3.629 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C1=CCOCC1 ZINC001196021328 872819974 /nfs/dbraw/zinc/81/99/74/872819974.db2.gz OAIFDCVJSNLSNN-UHFFFAOYSA-N -1 3 386.926 3.601 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000552635844 872924716 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CSc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC000854919957 880152316 /nfs/dbraw/zinc/15/23/16/880152316.db2.gz NWXPEOGNBNFMKX-UHFFFAOYSA-N -1 3 378.881 3.846 20 0 GHADHM CCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000531617669 880229911 /nfs/dbraw/zinc/22/99/11/880229911.db2.gz REUMKUKYSFOKCA-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000855132737 880294984 /nfs/dbraw/zinc/29/49/84/880294984.db2.gz UQSBNRAZDVDKQS-KBPBESRZSA-N -1 3 388.489 3.736 20 0 GHADHM CC[C@H](C)CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000855388109 880493692 /nfs/dbraw/zinc/49/36/92/880493692.db2.gz KVOSPUYMGCZQID-JTQLQIEISA-N -1 3 393.336 3.600 20 0 GHADHM CO[C@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)COCc1ccccc1 ZINC000855398721 880504568 /nfs/dbraw/zinc/50/45/68/880504568.db2.gz FWKWOAIECOLDDS-HSZRJFAPSA-N -1 3 379.456 3.897 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3c[nH]c4ccccc34)nc(=O)c2c1C ZINC000010634748 880828097 /nfs/dbraw/zinc/82/80/97/880828097.db2.gz BDIZIYNBDMHGHQ-NSHDSACASA-N -1 3 381.457 3.930 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3c[nH]c4ccccc34)nc(=O)c2c1C ZINC000010634742 880828151 /nfs/dbraw/zinc/82/81/51/880828151.db2.gz BDIZIYNBDMHGHQ-LLVKDONJSA-N -1 3 381.457 3.930 20 0 GHADHM COc1cc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000186727106 880971539 /nfs/dbraw/zinc/97/15/39/880971539.db2.gz DRPGYNNWWBXFHN-UHFFFAOYSA-N -1 3 383.217 3.933 20 0 GHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1N1CCOC1=O ZINC000792206633 880987067 /nfs/dbraw/zinc/98/70/67/880987067.db2.gz LCTBFTHMDSLABT-UHFFFAOYSA-N -1 3 378.384 3.763 20 0 GHADHM CCO[C@@H](C)c1nc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cs1 ZINC000186850502 881005940 /nfs/dbraw/zinc/00/59/40/881005940.db2.gz VAZQFRYWSCKYSP-ZDUSSCGKSA-N -1 3 391.518 3.913 20 0 GHADHM CCO[C@@H](C)c1nc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cs1 ZINC000186850502 881005955 /nfs/dbraw/zinc/00/59/55/881005955.db2.gz VAZQFRYWSCKYSP-ZDUSSCGKSA-N -1 3 391.518 3.913 20 0 GHADHM O=C([N-]CC1(O)CCC(F)(F)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000856204471 881038741 /nfs/dbraw/zinc/03/87/41/881038741.db2.gz LJGYZSIWCYXSFW-UHFFFAOYSA-N -1 3 398.194 3.598 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cncc([O-])c2)C[C@H](c2ccccc2)C1 ZINC001183568098 912637136 /nfs/dbraw/zinc/63/71/36/912637136.db2.gz YECGYHQFHHJNHG-DLBZAZTESA-N -1 3 397.475 3.767 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccsc3Br)nc2)n1 ZINC000509491059 881153255 /nfs/dbraw/zinc/15/32/55/881153255.db2.gz GAMDLVKQQXERDW-UHFFFAOYSA-N -1 3 391.294 3.665 20 0 GHADHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2nnc3ccccc3c2[O-])s1 ZINC000792538028 881167418 /nfs/dbraw/zinc/16/74/18/881167418.db2.gz HUUBNOYAYMVIDD-UHFFFAOYSA-N -1 3 381.392 3.554 20 0 GHADHM C[C@@](CO)(NCc1nnc(-c2ccccc2[O-])o1)c1cc(Cl)cc(Cl)c1 ZINC001170272976 881288958 /nfs/dbraw/zinc/28/89/58/881288958.db2.gz LRGBHWLWCYRJHO-SFHVURJKSA-N -1 3 394.258 3.746 20 0 GHADHM CC(C)[C@@H]1C[C@](NCc2ccc(N3CCCC3)nc2)(C(=O)[O-])c2ccccc21 ZINC000551054886 883191106 /nfs/dbraw/zinc/19/11/06/883191106.db2.gz BIVMQPBENQABPN-WMZHIEFXSA-N -1 3 379.504 3.895 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c(Cl)c1 ZINC000551174016 883384526 /nfs/dbraw/zinc/38/45/26/883384526.db2.gz DBHRTGYBGNKLFI-JOCHJYFZSA-N -1 3 392.329 3.981 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000184911495 883403248 /nfs/dbraw/zinc/40/32/48/883403248.db2.gz ZSUYBBALAFOYEA-INIZCTEOSA-N -1 3 397.456 3.980 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000476943023 883415824 /nfs/dbraw/zinc/41/58/24/883415824.db2.gz SSBUYUOECAHBDM-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2C[C@H](C)CSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000185099300 883419722 /nfs/dbraw/zinc/41/97/22/883419722.db2.gz QSRAYDWNLJMVAF-NSHDSACASA-N -1 3 391.924 3.748 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c(=O)[n-]1 ZINC000476944681 883420144 /nfs/dbraw/zinc/42/01/44/883420144.db2.gz XHLWVGIMDUQABV-UHFFFAOYSA-N -1 3 390.415 3.690 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000494770877 883427351 /nfs/dbraw/zinc/42/73/51/883427351.db2.gz QEQQORSCPUYMOK-LBPRGKRZSA-N -1 3 377.824 3.722 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Oc2ccccc2)cc1 ZINC000078549643 883503051 /nfs/dbraw/zinc/50/30/51/883503051.db2.gz LNDDEAXHBKWACA-AWEZNQCLSA-N -1 3 386.407 3.854 20 0 GHADHM O=S(=O)([N-]Cc1nc2cc(Cl)ccc2s1)c1cnc(Cl)c(F)c1 ZINC000804970441 883518515 /nfs/dbraw/zinc/51/85/15/883518515.db2.gz QXGAMLDOEZDINP-UHFFFAOYSA-N -1 3 392.264 3.616 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000859003002 883530761 /nfs/dbraw/zinc/53/07/61/883530761.db2.gz KQLWIMVIIYAQDP-IRXDYDNUSA-N -1 3 388.508 3.952 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1cnc(Cl)c(F)c1 ZINC000805027745 883540733 /nfs/dbraw/zinc/54/07/33/883540733.db2.gz QRRFXVBYLBZDTD-UHFFFAOYSA-N -1 3 388.251 3.530 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186329669 883632830 /nfs/dbraw/zinc/63/28/30/883632830.db2.gz CBGTZDVQUXHUQC-SFHVURJKSA-N -1 3 386.810 3.534 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccco1 ZINC000175355532 883686770 /nfs/dbraw/zinc/68/67/70/883686770.db2.gz DVMGLPJKJUQDIN-GFCCVEGCSA-N -1 3 381.397 3.558 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(SC(F)(F)F)c1 ZINC000885765076 883713859 /nfs/dbraw/zinc/71/38/59/883713859.db2.gz AVIMOQPPRQMGNI-SSDOTTSWSA-N -1 3 384.426 3.500 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)CC1 ZINC000805257282 883723735 /nfs/dbraw/zinc/72/37/35/883723735.db2.gz WTVDMACNNHKMFZ-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM CC[C@H](C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC ZINC001130153030 883756009 /nfs/dbraw/zinc/75/60/09/883756009.db2.gz UEFZKKGMDOOUQN-GWCFXTLKSA-N -1 3 392.240 3.635 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c1 ZINC000494802233 883797854 /nfs/dbraw/zinc/79/78/54/883797854.db2.gz VVCQVIDDRPQAHV-UHFFFAOYSA-N -1 3 380.419 3.864 20 0 GHADHM Cc1cccc(-n2nnnc2SCc2cc(=O)oc3c(C)c([O-])ccc23)c1C ZINC000015513157 883808403 /nfs/dbraw/zinc/80/84/03/883808403.db2.gz WCSCSLNRCNUHCW-UHFFFAOYSA-N -1 3 394.456 3.692 20 0 GHADHM CC(C)C[C@@H](CNCc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)[O-] ZINC000263100450 883826309 /nfs/dbraw/zinc/82/63/09/883826309.db2.gz WTTHEOCJSYKDKC-ZDUSSCGKSA-N -1 3 380.286 3.676 20 0 GHADHM CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000805417265 883831695 /nfs/dbraw/zinc/83/16/95/883831695.db2.gz NSMKRGLZPMVODA-CQSZACIVSA-N -1 3 376.478 3.738 20 0 GHADHM CCOc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc(Cl)c1OC ZINC000551420939 883843655 /nfs/dbraw/zinc/84/36/55/883843655.db2.gz NNJUKGKCJZKCCT-HXUWFJFHSA-N -1 3 393.842 3.902 20 0 GHADHM O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cnn[n-]1 ZINC000805607711 883966370 /nfs/dbraw/zinc/96/63/70/883966370.db2.gz ZGFDWOMRYMIVRZ-HNNXBMFYSA-N -1 3 391.214 3.648 20 0 GHADHM O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1c[n-]nn1 ZINC000805607711 883966382 /nfs/dbraw/zinc/96/63/82/883966382.db2.gz ZGFDWOMRYMIVRZ-HNNXBMFYSA-N -1 3 391.214 3.648 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000189723423 884002605 /nfs/dbraw/zinc/00/26/05/884002605.db2.gz DUGSJIBSUOEJCO-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000190055576 884044666 /nfs/dbraw/zinc/04/46/66/884044666.db2.gz FEBUMIZEFWOLAR-MRXNPFEDSA-N -1 3 394.475 3.634 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nnc(C3CC3)s2)CC1 ZINC000556208314 884120580 /nfs/dbraw/zinc/12/05/80/884120580.db2.gz YGJZVPJOUPPVSZ-UHFFFAOYSA-N -1 3 392.912 3.625 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(Br)c1 ZINC000475815987 884172829 /nfs/dbraw/zinc/17/28/29/884172829.db2.gz LDFBSHBECFKEJT-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2)n1 ZINC000192906859 884300033 /nfs/dbraw/zinc/30/00/33/884300033.db2.gz WEKJXGLJLOCEID-UHFFFAOYSA-N -1 3 389.333 3.722 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3ccccc3Cl)CCCCC2)c(=O)[n-]1 ZINC000130241470 884388953 /nfs/dbraw/zinc/38/89/53/884388953.db2.gz WTSDJCLQSXTKFQ-UHFFFAOYSA-N -1 3 387.911 3.601 20 0 GHADHM O=C([O-])[C@@]1(NCc2ccc(F)c(Br)c2)CCc2c1cccc2F ZINC000556321714 884448739 /nfs/dbraw/zinc/44/87/39/884448739.db2.gz ODDHNXHKFBQJBC-QGZVFWFLSA-N -1 3 382.204 3.743 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OCC ZINC000898206989 884631995 /nfs/dbraw/zinc/63/19/95/884631995.db2.gz CJLYZANYPWFJHC-LBPRGKRZSA-N -1 3 393.871 3.586 20 0 GHADHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000898212306 884634238 /nfs/dbraw/zinc/63/42/38/884634238.db2.gz HAZQMYUZRWZCCU-MAUKXSAKSA-N -1 3 378.476 3.773 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216342 884635965 /nfs/dbraw/zinc/63/59/65/884635965.db2.gz QGRJQDREXSGBCZ-HKMIMPICSA-N -1 3 385.773 3.731 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216344 884636272 /nfs/dbraw/zinc/63/62/72/884636272.db2.gz QGRJQDREXSGBCZ-ZTFCMROMSA-N -1 3 385.773 3.731 20 0 GHADHM C[C@H](CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccc(F)c(Br)c1 ZINC000898221726 884675636 /nfs/dbraw/zinc/67/56/36/884675636.db2.gz OEEIKVWRNUFLEJ-ZYHUDNBSSA-N -1 3 396.260 3.527 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000263372532 884745445 /nfs/dbraw/zinc/74/54/45/884745445.db2.gz VUPVHDUOJZZATR-VXGBXAGGSA-N -1 3 379.254 3.647 20 0 GHADHM COC1(OC)CC2(CN(C(=O)c3ccc(C(C)=O)c([O-])c3)[C@@H]2c2ccccc2)C1 ZINC000898340690 884751992 /nfs/dbraw/zinc/75/19/92/884751992.db2.gz VMVKCPMVZYZOAN-HXUWFJFHSA-N -1 3 395.455 3.561 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cccnc1F ZINC000806836485 885049568 /nfs/dbraw/zinc/04/95/68/885049568.db2.gz QJBXFXXQNDGJBI-UHFFFAOYSA-N -1 3 379.214 3.754 20 0 GHADHM COC(CCCC(C)(C)CNC(=O)c1cc([O-])cc(Br)c1)OC ZINC000860937661 885106760 /nfs/dbraw/zinc/10/67/60/885106760.db2.gz LKWMFJULIJFTKW-UHFFFAOYSA-N -1 3 388.302 3.700 20 0 GHADHM CC(C)(C)OC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)ccn1 ZINC001130794842 885117465 /nfs/dbraw/zinc/11/74/65/885117465.db2.gz YHILDBYPBZSIGM-UHFFFAOYSA-N -1 3 383.379 3.505 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)nc21 ZINC001127331775 885217977 /nfs/dbraw/zinc/21/79/77/885217977.db2.gz SCVREHOXJDFBQP-CKEIUWERSA-N -1 3 387.480 3.765 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n[n-]2)o1 ZINC000919325395 885334130 /nfs/dbraw/zinc/33/41/30/885334130.db2.gz MYDWRINNADSQIY-OLZOCXBDSA-N -1 3 385.395 3.540 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)[n-]n2)o1 ZINC000919325395 885334151 /nfs/dbraw/zinc/33/41/51/885334151.db2.gz MYDWRINNADSQIY-OLZOCXBDSA-N -1 3 385.395 3.540 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N(C)c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919327344 885338053 /nfs/dbraw/zinc/33/80/53/885338053.db2.gz IPGOAMZZUNVSRR-IBGZPJMESA-N -1 3 381.432 3.823 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N(C)c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919327344 885338072 /nfs/dbraw/zinc/33/80/72/885338072.db2.gz IPGOAMZZUNVSRR-IBGZPJMESA-N -1 3 381.432 3.823 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccccc3C)n[n-]2)o1 ZINC000919329027 885347112 /nfs/dbraw/zinc/34/71/12/885347112.db2.gz KQGQFMUMYCDMTO-LSDHHAIUSA-N -1 3 381.432 3.709 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccccc3C)[n-]n2)o1 ZINC000919329027 885347133 /nfs/dbraw/zinc/34/71/33/885347133.db2.gz KQGQFMUMYCDMTO-LSDHHAIUSA-N -1 3 381.432 3.709 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C(F)(F)F)CCOCC3)c2)n1 ZINC000666587636 885399170 /nfs/dbraw/zinc/39/91/70/885399170.db2.gz LQMNDCQJDYJUOT-UHFFFAOYSA-N -1 3 395.381 3.709 20 0 GHADHM C[C@H]1C[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@@H](C)C1 ZINC001130942710 885438042 /nfs/dbraw/zinc/43/80/42/885438042.db2.gz KLFIVRDPVKVPED-FICVDOATSA-N -1 3 398.544 3.705 20 0 GHADHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1nocc1C ZINC000476403358 885592968 /nfs/dbraw/zinc/59/29/68/885592968.db2.gz IJBCYWHBJJEQDZ-UHFFFAOYSA-N -1 3 376.210 3.637 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000170950969 885636214 /nfs/dbraw/zinc/63/62/14/885636214.db2.gz UVRXKNMOIDKQGL-INIZCTEOSA-N -1 3 390.487 3.567 20 0 GHADHM COc1ccc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)nn1 ZINC001131036304 885656032 /nfs/dbraw/zinc/65/60/32/885656032.db2.gz QUVHHBKBJQCDIK-UHFFFAOYSA-N -1 3 382.232 3.563 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1OC(F)F ZINC000131215758 885669728 /nfs/dbraw/zinc/66/97/28/885669728.db2.gz AZCROMOTRBQRGO-UHFFFAOYSA-N -1 3 395.786 3.568 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000465488364 885740863 /nfs/dbraw/zinc/74/08/63/885740863.db2.gz IIJOVTQOCVGVQR-CYBMUJFWSA-N -1 3 391.443 3.807 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C(C)(C)C)nn3C)nc(=O)c2c1C ZINC000919498570 885809779 /nfs/dbraw/zinc/80/97/79/885809779.db2.gz AATAOLLSMVSWKM-JTQLQIEISA-N -1 3 388.493 3.963 20 0 GHADHM CCc1ccc(Cl)c(CC)c1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000046851300 885916302 /nfs/dbraw/zinc/91/63/02/885916302.db2.gz DKCNUZAXCHYTFE-UHFFFAOYSA-N -1 3 389.883 3.722 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(F)cc1F ZINC000808083544 885983326 /nfs/dbraw/zinc/98/33/26/885983326.db2.gz YXCSJUHVJQTHPX-UHFFFAOYSA-N -1 3 376.331 3.662 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)c3cc(=O)[n-]cn3)CC2)c1 ZINC000861949441 886021558 /nfs/dbraw/zinc/02/15/58/886021558.db2.gz QODBCCQGJTZYGN-UHFFFAOYSA-N -1 3 398.463 3.549 20 0 GHADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1 ZINC000808116391 886028666 /nfs/dbraw/zinc/02/86/66/886028666.db2.gz SJHPBGSBDNXADL-DHZHZOJOSA-N -1 3 389.473 3.607 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000117265350 886046726 /nfs/dbraw/zinc/04/67/26/886046726.db2.gz WBUQGAMIGVIAMO-LBPRGKRZSA-N -1 3 377.282 3.943 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)c(C)c1 ZINC000131512970 886186298 /nfs/dbraw/zinc/18/62/98/886186298.db2.gz OJPCSPQYQZUMPV-UHFFFAOYSA-N -1 3 386.517 3.957 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC000808333428 886267712 /nfs/dbraw/zinc/26/77/12/886267712.db2.gz LDOZDUAYEGQVMF-UHFFFAOYSA-N -1 3 399.188 3.576 20 0 GHADHM COc1cccc(Nc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)nc2)c1 ZINC001131269763 886303166 /nfs/dbraw/zinc/30/31/66/886303166.db2.gz WZLTVOCVLZPCAZ-UHFFFAOYSA-N -1 3 386.411 3.928 20 0 GHADHM CCn1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])c(=O)c2cc(Cl)ccc21 ZINC000556894269 886488736 /nfs/dbraw/zinc/48/87/36/886488736.db2.gz RRUJBLZWSPBTIX-UHFFFAOYSA-N -1 3 384.819 3.835 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(Br)c1 ZINC000808575289 886523788 /nfs/dbraw/zinc/52/37/88/886523788.db2.gz JPNSGYFJXJPMPK-UHFFFAOYSA-N -1 3 399.310 3.951 20 0 GHADHM CCO[C@H](CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000057179218 886549558 /nfs/dbraw/zinc/54/95/58/886549558.db2.gz AKWQGDGVTDCEHQ-GOSISDBHSA-N -1 3 376.478 3.549 20 0 GHADHM O=C(c1c([O-])cccc1F)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000119244594 886552649 /nfs/dbraw/zinc/55/26/49/886552649.db2.gz QUFGSYSHZKVUDW-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Cc1cccs1 ZINC000131863732 886581097 /nfs/dbraw/zinc/58/10/97/886581097.db2.gz TYQFCSZNNARYSL-NSHDSACASA-N -1 3 383.311 3.894 20 0 GHADHM CCc1ccc2c(COC(=O)c3n[n-]c4c3cccc4OC)cc(=O)oc2c1 ZINC000808672359 886666640 /nfs/dbraw/zinc/66/66/40/886666640.db2.gz KYPNWSYWPWHHHU-UHFFFAOYSA-N -1 3 378.384 3.597 20 0 GHADHM CCc1ccc2c(COC(=O)c3[n-]nc4c3cccc4OC)cc(=O)oc2c1 ZINC000808672359 886666644 /nfs/dbraw/zinc/66/66/44/886666644.db2.gz KYPNWSYWPWHHHU-UHFFFAOYSA-N -1 3 378.384 3.597 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)c3cccc(Cl)c3Cl)n[n-]c21 ZINC000808675086 886673006 /nfs/dbraw/zinc/67/30/06/886673006.db2.gz VYRJANQKTPVXBB-UHFFFAOYSA-N -1 3 379.199 3.918 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)c3cccc(Cl)c3Cl)[n-]nc21 ZINC000808675086 886673012 /nfs/dbraw/zinc/67/30/12/886673012.db2.gz VYRJANQKTPVXBB-UHFFFAOYSA-N -1 3 379.199 3.918 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3F)n[n-]c21 ZINC000808675177 886673568 /nfs/dbraw/zinc/67/35/68/886673568.db2.gz YPBKXHKDOPBXGP-SECBINFHSA-N -1 3 391.786 3.548 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000808675177 886673585 /nfs/dbraw/zinc/67/35/85/886673585.db2.gz YPBKXHKDOPBXGP-SECBINFHSA-N -1 3 391.786 3.548 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)c3ccc(OC)c(Cl)c3)n[n-]c21 ZINC000808675783 886675561 /nfs/dbraw/zinc/67/55/61/886675561.db2.gz SHROSYNSOOGUDD-JTQLQIEISA-N -1 3 388.807 3.662 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)c3ccc(OC)c(Cl)c3)[n-]nc21 ZINC000808675783 886675571 /nfs/dbraw/zinc/67/55/71/886675571.db2.gz SHROSYNSOOGUDD-JTQLQIEISA-N -1 3 388.807 3.662 20 0 GHADHM COc1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1SC(F)(F)F ZINC000808755841 886734900 /nfs/dbraw/zinc/73/49/00/886734900.db2.gz NTKKKOSLPQMRRE-UHFFFAOYSA-N -1 3 388.415 3.510 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2n[nH]c(COc3ccc(Cl)cc3)n2)n1 ZINC000132211175 886737486 /nfs/dbraw/zinc/73/74/86/886737486.db2.gz XCFQDACCYNUBMX-JTQLQIEISA-N -1 3 377.857 3.694 20 0 GHADHM CCN(C(=O)CO[N-]C(=O)CCCc1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000762738247 886774162 /nfs/dbraw/zinc/77/41/62/886774162.db2.gz XCHXUVYKZHGOBY-QGZVFWFLSA-N -1 3 386.467 3.806 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)c1 ZINC000119623139 886794006 /nfs/dbraw/zinc/79/40/06/886794006.db2.gz OBYSJNBUJNTYPX-UHFFFAOYSA-N -1 3 376.478 3.933 20 0 GHADHM CCCC[C@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)OC ZINC000762851625 886858528 /nfs/dbraw/zinc/85/85/28/886858528.db2.gz JGYDSQKGLYWXSB-LBPRGKRZSA-N -1 3 395.253 3.728 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCc4cc(Br)cnc43)n[n-]2)o1 ZINC000809039710 887024785 /nfs/dbraw/zinc/02/47/85/887024785.db2.gz NSKHUPHPSDUBMT-HNNXBMFYSA-N -1 3 388.221 3.980 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCc4cc(Br)cnc43)[n-]n2)o1 ZINC000809039710 887024800 /nfs/dbraw/zinc/02/48/00/887024800.db2.gz NSKHUPHPSDUBMT-HNNXBMFYSA-N -1 3 388.221 3.980 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)cccc3OC)c2)n1 ZINC000127775499 887097817 /nfs/dbraw/zinc/09/78/17/887097817.db2.gz CTBAEDSZZRFSHQ-UHFFFAOYSA-N -1 3 383.835 3.914 20 0 GHADHM CCOc1cc(CN(C)Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OC(F)F ZINC000459320473 887346281 /nfs/dbraw/zinc/34/62/81/887346281.db2.gz YVUKXXDNCSIAMG-UHFFFAOYSA-N -1 3 379.407 3.692 20 0 GHADHM CCN(C[C@@H]1CCN(Cc2cccc([O-])c2Br)C1)CC(F)(F)F ZINC000459335223 887471082 /nfs/dbraw/zinc/47/10/82/887471082.db2.gz FYOOEJLHECGSAY-LBPRGKRZSA-N -1 3 395.263 3.861 20 0 GHADHM [O-]c1cccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1Br ZINC000459341761 887503894 /nfs/dbraw/zinc/50/38/94/887503894.db2.gz OHWZVVLYEKQSFW-INIZCTEOSA-N -1 3 384.314 3.705 20 0 GHADHM CCOc1ccc(C(=O)N(C)C)cc1NCc1cccc([O-])c1Br ZINC000459358696 887660946 /nfs/dbraw/zinc/66/09/46/887660946.db2.gz LFVDGYZJHNEUTA-UHFFFAOYSA-N -1 3 393.281 3.867 20 0 GHADHM O=C1CCCN1Cc1ccccc1CNCc1cccc([O-])c1Br ZINC000459364329 887717321 /nfs/dbraw/zinc/71/73/21/887717321.db2.gz KKJUEBZTZOZPMO-UHFFFAOYSA-N -1 3 389.293 3.567 20 0 GHADHM COc1ccc2oc(CN3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)cc2c1 ZINC000809769998 887758686 /nfs/dbraw/zinc/75/86/86/887758686.db2.gz WLWFLDFHELJNFF-PRXAMGSTSA-N -1 3 384.398 3.719 20 0 GHADHM Cn1ncc2cc(CN[C@H](CCC(=O)[O-])c3ccc(Cl)c(Cl)c3)cnc21 ZINC000864507689 887814048 /nfs/dbraw/zinc/81/40/48/887814048.db2.gz OVLPZEGHDLBICQ-MRXNPFEDSA-N -1 3 393.274 3.971 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000193982844 887912597 /nfs/dbraw/zinc/91/25/97/887912597.db2.gz NKHJXYCEZZABOH-UHFFFAOYSA-N -1 3 375.780 3.677 20 0 GHADHM CCc1cc2c(CN3CCC(Oc4ncccc4C)CC3)cc(=O)oc2cc1[O-] ZINC000809993877 888049261 /nfs/dbraw/zinc/04/92/61/888049261.db2.gz RWHMYMYBNSPJOL-UHFFFAOYSA-N -1 3 394.471 3.808 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 ZINC000055190262 888105542 /nfs/dbraw/zinc/10/55/42/888105542.db2.gz MNGUUZYXNUEIRA-UHFFFAOYSA-N -1 3 382.338 3.521 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1 ZINC000055287148 888112405 /nfs/dbraw/zinc/11/24/05/888112405.db2.gz MBDMKDFWQKHDBN-UHFFFAOYSA-N -1 3 382.460 3.651 20 0 GHADHM Cc1cc(C)c(-c2nnc(SCc3nc4c(c(=O)[n-]3)COCC4)o2)c(C)c1 ZINC000865356272 888313624 /nfs/dbraw/zinc/31/36/24/888313624.db2.gz XHYOCUGIQJGEEF-UHFFFAOYSA-N -1 3 384.461 3.522 20 0 GHADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000287370617 913295907 /nfs/dbraw/zinc/29/59/07/913295907.db2.gz HXGNMZWUXLIHHA-UHFFFAOYSA-N -1 3 386.345 3.814 20 0 GHADHM Cc1ccc(C)c([C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)c2ccccc2)c1 ZINC000866628511 888979524 /nfs/dbraw/zinc/97/95/24/888979524.db2.gz KRZNGZNPBGEYDW-QFIPXVFZSA-N -1 3 375.472 3.751 20 0 GHADHM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810904750 889011860 /nfs/dbraw/zinc/01/18/60/889011860.db2.gz HWDAEPURVABTSV-JXMNSVBMSA-N -1 3 396.453 3.914 20 0 GHADHM Cc1cc(C)c(/C=C/C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000810904986 889013277 /nfs/dbraw/zinc/01/32/77/889013277.db2.gz MBSHREBFWVQGPW-MOEXGYKKSA-N -1 3 382.426 3.542 20 0 GHADHM CCOc1ccc(OC)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000123471077 889265323 /nfs/dbraw/zinc/26/53/23/889265323.db2.gz SQMSOEVUDSWHKW-UHFFFAOYSA-N -1 3 395.253 3.884 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(OC)cccc3C(F)F)nc21 ZINC001127416211 889310107 /nfs/dbraw/zinc/31/01/07/889310107.db2.gz BSJOQGGDNATJQF-UHFFFAOYSA-N -1 3 375.331 3.548 20 0 GHADHM CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc([O-])ccc2Cl)cn1 ZINC000811435136 889561778 /nfs/dbraw/zinc/56/17/78/889561778.db2.gz ADBZSRNACFOGKR-HXUWFJFHSA-N -1 3 399.878 3.638 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1cccc(Br)c1 ZINC000431636049 889827385 /nfs/dbraw/zinc/82/73/85/889827385.db2.gz NPDKYZJTZSCOGR-ZDUSSCGKSA-N -1 3 376.222 3.734 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSc3ccc4c(c3)CCC4)cc2)n1 ZINC000064342699 889911736 /nfs/dbraw/zinc/91/17/36/889911736.db2.gz DKCPGRCEAXEVRF-UHFFFAOYSA-N -1 3 391.496 3.965 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000125222992 889915057 /nfs/dbraw/zinc/91/50/57/889915057.db2.gz ORUFFZBPYXJHLA-ZDUSSCGKSA-N -1 3 380.318 3.516 20 0 GHADHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125346268 889961403 /nfs/dbraw/zinc/96/14/03/889961403.db2.gz BEJZPYCHJHIZJA-CQSZACIVSA-N -1 3 386.395 3.866 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000125739925 890111767 /nfs/dbraw/zinc/11/17/67/890111767.db2.gz JWIGOBYCZQKFCM-VXGBXAGGSA-N -1 3 379.913 3.897 20 0 GHADHM CC(C)C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811993251 890212348 /nfs/dbraw/zinc/21/23/48/890212348.db2.gz JIEXMKOHSQIAFZ-WBVHZDCISA-N -1 3 399.457 3.874 20 0 GHADHM COC(=O)c1nc2ccc(N[C@@H](Cc3ccccc3)c3nccs3)nc2[n-]1 ZINC001170661011 890334951 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O=C(CCc1nnc(-c2cc3ccccc3o2)o1)[N-]OCCCC(F)(F)F ZINC000871211285 890696965 /nfs/dbraw/zinc/69/69/65/890696965.db2.gz MWBKXKSJROVSBS-UHFFFAOYSA-N -1 3 383.326 3.806 20 0 GHADHM Cc1ccc(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC000871312525 890745449 /nfs/dbraw/zinc/74/54/49/890745449.db2.gz LMRCILPFZFOYFS-OAHLLOKOSA-N -1 3 376.378 3.808 20 0 GHADHM COCC1(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000812579036 890768446 /nfs/dbraw/zinc/76/84/46/890768446.db2.gz FNWZHNZCIHELDC-FQEVSTJZSA-N -1 3 397.471 3.613 20 0 GHADHM O=C(Cc1c[nH]c2cc(Br)ccc12)NCc1ccc([O-])c(F)c1 ZINC000127141566 890914955 /nfs/dbraw/zinc/91/49/55/890914955.db2.gz RIWWOUIOBHSYAA-UHFFFAOYSA-N -1 3 377.213 3.634 20 0 GHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(Cc3ccc(OC)cc3)nn2)CC)n1 ZINC000871665705 890965367 /nfs/dbraw/zinc/96/53/67/890965367.db2.gz UJQIMONHDYJCPF-WJDWOHSUSA-N -1 3 379.464 3.734 20 0 GHADHM CC(C)C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000127360744 891019091 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CCOC(=O)c1cc(NC(=O)[C@@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)[n-]n1 ZINC001184929936 913543849 /nfs/dbraw/zinc/54/38/49/913543849.db2.gz UYAFMXRVJZGPNZ-OAHLLOKOSA-N -1 3 394.353 3.661 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)n[n-]1 ZINC001184929936 913543852 /nfs/dbraw/zinc/54/38/52/913543852.db2.gz UYAFMXRVJZGPNZ-OAHLLOKOSA-N -1 3 394.353 3.661 20 0 GHADHM CC(C)c1ccc2cc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)[nH]c2c1 ZINC000917114978 891322726 /nfs/dbraw/zinc/32/27/26/891322726.db2.gz QOBUAZGZTVFIAM-UHFFFAOYSA-N -1 3 391.471 3.595 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000053303537 891966401 /nfs/dbraw/zinc/96/64/01/891966401.db2.gz QOCWRKQNFZJYKZ-UHFFFAOYSA-N -1 3 395.890 3.942 20 0 GHADHM CCC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)cc1 ZINC000615063846 891972753 /nfs/dbraw/zinc/97/27/53/891972753.db2.gz ORACVSFCLAHLJQ-CQSZACIVSA-N -1 3 387.867 3.758 20 0 GHADHM COc1cccc2c(C(=O)Oc3ccc(Br)cc3OC)n[n-]c21 ZINC000813811270 892014173 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CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C)C)c(Cl)cc1Cl ZINC000875119533 892455506 /nfs/dbraw/zinc/45/55/06/892455506.db2.gz CWHAHVGLYNPVGG-LLVKDONJSA-N -1 3 395.352 3.941 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000875167610 892476077 /nfs/dbraw/zinc/47/60/77/892476077.db2.gz UGASCAMRBHMOOO-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000875167610 892476085 /nfs/dbraw/zinc/47/60/85/892476085.db2.gz UGASCAMRBHMOOO-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCSc2ccc(C)c(C)c2)cc1OC ZINC000763424974 892991597 /nfs/dbraw/zinc/99/15/97/892991597.db2.gz BJOBTLYFVQKIEM-UHFFFAOYSA-N -1 3 375.490 3.703 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)c(=O)c2c(OC)c1 ZINC000626485009 893029187 /nfs/dbraw/zinc/02/91/87/893029187.db2.gz AKDWZDLWXNLSPC-GJZGRUSLSA-N -1 3 386.492 3.880 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000129139819 893087372 /nfs/dbraw/zinc/08/73/72/893087372.db2.gz ITIUYCNTQDTRIV-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000129371713 893287588 /nfs/dbraw/zinc/28/75/88/893287588.db2.gz SWEZWVHOPGYQCB-OAHLLOKOSA-N -1 3 385.888 3.560 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCc3cnc4ccccc4c3)nc21 ZINC001134753819 893289223 /nfs/dbraw/zinc/28/92/23/893289223.db2.gz YGQFNCJSARIKHB-UHFFFAOYSA-N -1 3 388.427 3.859 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000918160583 893290431 /nfs/dbraw/zinc/29/04/31/893290431.db2.gz JRRDYLMAZBKOIX-GJZGRUSLSA-N -1 3 392.496 3.803 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cccs1)Cc1cccs1 ZINC000170701539 893291576 /nfs/dbraw/zinc/29/15/76/893291576.db2.gz BNUDFFBNRCCPLY-UHFFFAOYSA-N -1 3 397.481 3.928 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccn3)no2)cc(F)c1Cl ZINC001134835159 893381320 /nfs/dbraw/zinc/38/13/20/893381320.db2.gz URMSOQWFLCEPTR-UHFFFAOYSA-N -1 3 375.743 3.568 20 0 GHADHM COC(=O)CC[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459398736 893423642 /nfs/dbraw/zinc/42/36/42/893423642.db2.gz FYYPBXIVYIWJJI-HNNXBMFYSA-N -1 3 378.266 3.939 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]cnc(=N[C@@H](CN(C)Cc3ccccc3)C(C)C)c12 ZINC000563207826 893478979 /nfs/dbraw/zinc/47/89/79/893478979.db2.gz OHGJLYOKGJQNIO-INIZCTEOSA-N -1 3 398.532 3.688 20 0 GHADHM COC1(CCOC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000815189483 893535739 /nfs/dbraw/zinc/53/57/39/893535739.db2.gz KODQGSABIJMBAG-FQEVSTJZSA-N -1 3 397.471 3.756 20 0 GHADHM [O-]c1cccc(CN2CCC(CO)(Cc3ccccc3)CC2)c1Br ZINC000459503377 893644218 /nfs/dbraw/zinc/64/42/18/893644218.db2.gz FKIGMDBTDLWLQA-UHFFFAOYSA-N -1 3 390.321 3.972 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4ccco4)nc3C)nc21 ZINC001134937778 893645123 /nfs/dbraw/zinc/64/51/23/893645123.db2.gz WHFJGARFRFCDJT-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM COC(=O)[C@H](NCc1cccc([O-])c1Br)c1cc(C)cc(C)c1 ZINC000459503499 893645944 /nfs/dbraw/zinc/64/59/44/893645944.db2.gz QIMYHSWWNVOSFQ-QGZVFWFLSA-N -1 3 378.266 3.775 20 0 GHADHM CCc1cc2c(CN3Cc4cnn(-c5ccccc5)c4C3)cc(=O)oc2cc1[O-] ZINC000815310014 893711321 /nfs/dbraw/zinc/71/13/21/893711321.db2.gz HMLZSPFAHANRGX-UHFFFAOYSA-N -1 3 387.439 3.763 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(CNC(=O)OC(C)(C)C)c2)n1 ZINC000877648790 893743171 /nfs/dbraw/zinc/74/31/71/893743171.db2.gz VOAHTUVDSYKAML-UHFFFAOYSA-N -1 3 386.496 3.540 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nc2c1COCC2 ZINC000877972592 893921986 /nfs/dbraw/zinc/92/19/86/893921986.db2.gz LIQICISXECRIEV-MRXNPFEDSA-N -1 3 380.275 3.899 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2cccc3c2OCCO3)o1 ZINC000878042960 893975696 /nfs/dbraw/zinc/97/56/96/893975696.db2.gz LYVIHCWPPCMCOH-MRXNPFEDSA-N -1 3 379.416 3.551 20 0 GHADHM O=C([N-]c1cc(F)ccc1F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000129807508 893986755 /nfs/dbraw/zinc/98/67/55/893986755.db2.gz BDKJITOCHWIOPX-UHFFFAOYSA-N -1 3 386.255 3.956 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000536900718 894002272 /nfs/dbraw/zinc/00/22/72/894002272.db2.gz MFPKANJMJONGSW-CQSZACIVSA-N -1 3 396.242 3.938 20 0 GHADHM O=C(CNC(=O)Nc1cccc(Cl)c1)Nc1cc(Br)ccc1[O-] ZINC001138016209 894101623 /nfs/dbraw/zinc/10/16/23/894101623.db2.gz JSKUKYWQQQYFCU-UHFFFAOYSA-N -1 3 398.644 3.568 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4cccc(F)c4)[C@H]3C)nc2)n1 ZINC000645363703 913853245 /nfs/dbraw/zinc/85/32/45/913853245.db2.gz QYMPAJRDGBFBHK-SZNDQCEHSA-N -1 3 394.450 3.912 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(NC(=O)c3ccccc3)cc2)c[n-]1 ZINC000815928461 894306503 /nfs/dbraw/zinc/30/65/03/894306503.db2.gz JOYLMHDSJFUFIL-AWEZNQCLSA-N -1 3 392.411 3.972 20 0 GHADHM COCCC1(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCCCC1 ZINC000935469846 894525251 /nfs/dbraw/zinc/52/52/51/894525251.db2.gz KWUXZJFYKGHWGU-UHFFFAOYSA-N -1 3 378.419 3.523 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878714241 894530819 /nfs/dbraw/zinc/53/08/19/894530819.db2.gz LEIGGIXBGIJQBK-HNNXBMFYSA-N -1 3 387.480 3.776 20 0 GHADHM CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000816308885 894682233 /nfs/dbraw/zinc/68/22/33/894682233.db2.gz JLUUITYMTPOYIO-AWEZNQCLSA-N -1 3 393.443 3.510 20 0 GHADHM CC(C)[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000537288886 894748623 /nfs/dbraw/zinc/74/86/23/894748623.db2.gz BROKZEKOMHGDNR-HNNXBMFYSA-N -1 3 379.420 3.829 20 0 GHADHM [O-]c1ccc(F)c(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1F ZINC000816554749 894939914 /nfs/dbraw/zinc/93/99/14/894939914.db2.gz ICOBAUJAKZRHSW-OAHLLOKOSA-N -1 3 381.728 3.864 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCn2cnc3ccccc32)[nH][n-]1 ZINC000564451795 894997532 /nfs/dbraw/zinc/99/75/32/894997532.db2.gz FLEOZQIMFKHYKJ-UHFFFAOYSA-N -1 3 395.850 3.539 20 0 GHADHM Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000816769160 895044515 /nfs/dbraw/zinc/04/45/15/895044515.db2.gz WMSHLGRLSGGNLD-UHFFFAOYSA-N -1 3 388.880 3.930 20 0 GHADHM Cc1nc(Br)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000816943972 895230135 /nfs/dbraw/zinc/23/01/35/895230135.db2.gz OGCJTVODMNRIDK-UHFFFAOYSA-N -1 3 392.072 3.934 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3nn(C)c4ccccc34)nc(=O)c2c1C ZINC000817204325 895391318 /nfs/dbraw/zinc/39/13/18/895391318.db2.gz JYAFMLJDKZDCEI-NSHDSACASA-N -1 3 396.472 3.747 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000817208108 895392103 /nfs/dbraw/zinc/39/21/03/895392103.db2.gz IXHMBYPREZAQJJ-UHFFFAOYSA-N -1 3 388.508 3.818 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOCCC3CC3)c2)cc1 ZINC000817388099 895561010 /nfs/dbraw/zinc/56/10/10/895561010.db2.gz PUARVAFTVJHVFS-UHFFFAOYSA-N -1 3 388.489 3.566 20 0 GHADHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3cc4c(cc3C)OCO4)cc2C1 ZINC000565395483 895591706 /nfs/dbraw/zinc/59/17/06/895591706.db2.gz VGQZHGQWBAZEDL-UHFFFAOYSA-N -1 3 388.489 3.640 20 0 GHADHM COCCC1(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826155445 895658845 /nfs/dbraw/zinc/65/88/45/895658845.db2.gz QLYRUJVEZGZSNG-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM COCCC1(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826155445 895658849 /nfs/dbraw/zinc/65/88/49/895658849.db2.gz QLYRUJVEZGZSNG-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCc1ccc2[nH]ccc2c1 ZINC000826167394 895734461 /nfs/dbraw/zinc/73/44/61/895734461.db2.gz BPODRTGRYWJVML-UHFFFAOYSA-N -1 3 397.822 3.548 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCc1ccc2[nH]ccc2c1 ZINC000826167394 895734478 /nfs/dbraw/zinc/73/44/78/895734478.db2.gz BPODRTGRYWJVML-UHFFFAOYSA-N -1 3 397.822 3.548 20 0 GHADHM Cc1c(NC(=O)c2c(Cl)n[n-]c2C2CC2)c(=O)n(C2CCCCC2)n1C ZINC000880517200 895736545 /nfs/dbraw/zinc/73/65/45/895736545.db2.gz LQTASEIBLITZFZ-UHFFFAOYSA-N -1 3 377.876 3.507 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000645633759 913998234 /nfs/dbraw/zinc/99/82/34/913998234.db2.gz NLCSAAQNEZLTFV-ZDUSSCGKSA-N -1 3 395.349 3.945 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cscn1 ZINC000645655963 914007686 /nfs/dbraw/zinc/00/76/86/914007686.db2.gz YZZARECPEYMRJG-LBPRGKRZSA-N -1 3 395.506 3.762 20 0 GHADHM O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(O)cc1[O-] ZINC001135993563 895850089 /nfs/dbraw/zinc/85/00/89/895850089.db2.gz MIIQRYZGRMCDRF-UHFFFAOYSA-N -1 3 399.450 3.940 20 0 GHADHM Nc1ccc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)c([O-])c1 ZINC000818022688 895998960 /nfs/dbraw/zinc/99/89/60/895998960.db2.gz MFDRBNCCEZGZHJ-INIZCTEOSA-N -1 3 389.293 3.974 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1F ZINC001136093227 896012646 /nfs/dbraw/zinc/01/26/46/896012646.db2.gz MKTOOLXBCFJJBT-SFHVURJKSA-N -1 3 381.432 3.999 20 0 GHADHM CC[C@H](O)c1cn(Cc2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)nn1 ZINC000881023972 896074812 /nfs/dbraw/zinc/07/48/12/896074812.db2.gz UCHGEBBZDWHLCP-HNNXBMFYSA-N -1 3 395.488 3.764 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000566362389 896256659 /nfs/dbraw/zinc/25/66/59/896256659.db2.gz SQFJXKASCHUXKM-BFUOFWGJSA-N -1 3 378.856 3.788 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826218857 896396008 /nfs/dbraw/zinc/39/60/08/896396008.db2.gz MQDYYTSGFNJRTP-VLIAUNLRSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826218857 896396026 /nfs/dbraw/zinc/39/60/26/896396026.db2.gz MQDYYTSGFNJRTP-VLIAUNLRSA-N -1 3 375.432 3.909 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(F)F ZINC000645795963 914069922 /nfs/dbraw/zinc/06/99/22/914069922.db2.gz ADPHBRZIFAMSNG-ZETCQYMHSA-N -1 3 376.650 3.672 20 0 GHADHM CCOc1ccc(C)cc1[N-]S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185750446 914085505 /nfs/dbraw/zinc/08/55/05/914085505.db2.gz QRDQGYKMNMIXDJ-UHFFFAOYSA-N -1 3 398.525 3.535 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnn(-c2ccc(Cl)cc2)n1 ZINC001136219212 896704660 /nfs/dbraw/zinc/70/46/60/896704660.db2.gz MUEXDZYSEFNPCR-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)CCC(C)(F)F)CC1 ZINC000826254637 896741975 /nfs/dbraw/zinc/74/19/75/896741975.db2.gz VDHWOYXCQHBMQD-UHFFFAOYSA-N -1 3 393.438 3.877 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000819866114 897022315 /nfs/dbraw/zinc/02/23/15/897022315.db2.gz JJUPPJZSMZZJDP-LBPRGKRZSA-N -1 3 381.411 3.569 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000819866114 897022323 /nfs/dbraw/zinc/02/23/23/897022323.db2.gz JJUPPJZSMZZJDP-LBPRGKRZSA-N -1 3 381.411 3.569 20 0 GHADHM CC(C)c1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c2ccccc2n1 ZINC000026702473 897267457 /nfs/dbraw/zinc/26/74/57/897267457.db2.gz TXXAYFNTKULHAC-UHFFFAOYSA-N -1 3 382.441 3.533 20 0 GHADHM Cc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826307703 897387457 /nfs/dbraw/zinc/38/74/57/897387457.db2.gz SUSXOTNILQAEPR-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826307703 897387473 /nfs/dbraw/zinc/38/74/73/897387473.db2.gz SUSXOTNILQAEPR-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccnc(NCc2ccc(COCc3ccccc3)cc2)c1-c1nnn[n-]1 ZINC000826314172 897452734 /nfs/dbraw/zinc/45/27/34/897452734.db2.gz JTWSDVABEZNANP-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccnc(NCc2ccc(COCc3ccccc3)cc2)c1-c1nn[n-]n1 ZINC000826314172 897452747 /nfs/dbraw/zinc/45/27/47/897452747.db2.gz JTWSDVABEZNANP-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccnc(N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826311295 897466070 /nfs/dbraw/zinc/46/60/70/897466070.db2.gz ADSXYEJGMHLDIM-NSHDSACASA-N -1 3 378.358 3.684 20 0 GHADHM Cc1ccnc(N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826311295 897466074 /nfs/dbraw/zinc/46/60/74/897466074.db2.gz ADSXYEJGMHLDIM-NSHDSACASA-N -1 3 378.358 3.684 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000820767563 897515081 /nfs/dbraw/zinc/51/50/81/897515081.db2.gz ITMWLYGUOLYCSU-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000820767563 897515095 /nfs/dbraw/zinc/51/50/95/897515095.db2.gz ITMWLYGUOLYCSU-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C(C)(C)C1 ZINC000820740850 897529117 /nfs/dbraw/zinc/52/91/17/897529117.db2.gz ADYZQODCSQIDRZ-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826321639 897582915 /nfs/dbraw/zinc/58/29/15/897582915.db2.gz KXVYGFKMEQEXPJ-KRWDZBQOSA-N -1 3 394.483 3.664 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826321639 897582927 /nfs/dbraw/zinc/58/29/27/897582927.db2.gz KXVYGFKMEQEXPJ-KRWDZBQOSA-N -1 3 394.483 3.664 20 0 GHADHM Cc1nc(NC(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)sc1C ZINC000826327157 897632875 /nfs/dbraw/zinc/63/28/75/897632875.db2.gz VDEVTXGCTFVLHF-SECBINFHSA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc(NC(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)sc1C ZINC000826327157 897632885 /nfs/dbraw/zinc/63/28/85/897632885.db2.gz VDEVTXGCTFVLHF-SECBINFHSA-N -1 3 394.913 3.713 20 0 GHADHM Cn1ncc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1 ZINC000821032851 897674328 /nfs/dbraw/zinc/67/43/28/897674328.db2.gz WVJMXARWBPHICB-BJMVGYQFSA-N -1 3 375.866 3.991 20 0 GHADHM Cc1ncsc1-c1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000826331370 897725238 /nfs/dbraw/zinc/72/52/38/897725238.db2.gz FHSSSFFFQSOEGP-UHFFFAOYSA-N -1 3 391.869 3.627 20 0 GHADHM Cc1ncsc1-c1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000826331370 897725246 /nfs/dbraw/zinc/72/52/46/897725246.db2.gz FHSSSFFFQSOEGP-UHFFFAOYSA-N -1 3 391.869 3.627 20 0 GHADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000568432460 897830421 /nfs/dbraw/zinc/83/04/21/897830421.db2.gz XNHUKPJFFHVIPR-CQSZACIVSA-N -1 3 386.471 3.707 20 0 GHADHM Cc1nc([C@@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)oc1-c1ccc(Cl)cc1 ZINC000289454341 914196639 /nfs/dbraw/zinc/19/66/39/914196639.db2.gz PJADGGRQVDZDRE-TZMCWYRMSA-N -1 3 387.871 3.655 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000028752656 897884274 /nfs/dbraw/zinc/88/42/74/897884274.db2.gz KLTOXHPWQPAAMD-SKDRFNHKSA-N -1 3 383.231 3.507 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000101849287 897973127 /nfs/dbraw/zinc/97/31/27/897973127.db2.gz KTKYAKFKKBRDTF-SNVBAGLBSA-N -1 3 382.291 3.546 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)nc2ccccc12 ZINC000568717573 898058326 /nfs/dbraw/zinc/05/83/26/898058326.db2.gz JYNXQQNUJBAOTJ-UHFFFAOYSA-N -1 3 399.369 3.575 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000821777140 898070829 /nfs/dbraw/zinc/07/08/29/898070829.db2.gz BABXOLDOFHEPEB-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000821777140 898070838 /nfs/dbraw/zinc/07/08/38/898070838.db2.gz BABXOLDOFHEPEB-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1F ZINC000822202071 898252599 /nfs/dbraw/zinc/25/25/99/898252599.db2.gz JRDWKOFTCMADJW-MRVPVSSYSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1F ZINC000822202071 898252616 /nfs/dbraw/zinc/25/26/16/898252616.db2.gz JRDWKOFTCMADJW-MRVPVSSYSA-N -1 3 389.431 3.892 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@@H]3C)ccc2C)cc1 ZINC000569160112 898379467 /nfs/dbraw/zinc/37/94/67/898379467.db2.gz AKGXLNBQQNCSLZ-GJZGRUSLSA-N -1 3 388.489 3.789 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2nc(-c3ccccc3Cl)cs2)c(=O)[n-]1 ZINC000774966258 914247992 /nfs/dbraw/zinc/24/79/92/914247992.db2.gz PRAYZERVNBYINW-UHFFFAOYSA-N -1 3 389.864 3.862 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000822909240 898713767 /nfs/dbraw/zinc/71/37/67/898713767.db2.gz YRQHZDHBCJZWBI-UHFFFAOYSA-N -1 3 380.872 3.919 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001136653721 898775758 /nfs/dbraw/zinc/77/57/58/898775758.db2.gz FWUJMOQYGRJQFR-AJWDXOCTSA-N -1 3 381.863 3.648 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)c1 ZINC001186056248 914286928 /nfs/dbraw/zinc/28/69/28/914286928.db2.gz CHTGFALMKMWASW-KRWDZBQOSA-N -1 3 391.464 3.703 20 0 GHADHM CCc1ccc(-c2nc(C[C@](O)(c3ccc(C)o3)C(F)(F)F)no2)c([O-])c1 ZINC000289720544 914312844 /nfs/dbraw/zinc/31/28/44/914312844.db2.gz NCWDOJQTAREMSC-KRWDZBQOSA-N -1 3 382.338 3.899 20 0 GHADHM COC(=O)[C@@H](C)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115195001 899167842 /nfs/dbraw/zinc/16/78/42/899167842.db2.gz MACDXSZQGKZKQA-UWVGGRQHSA-N -1 3 378.475 3.848 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(C[C@@H]3C)CCOCC4)cc2)cc(=O)[n-]1 ZINC000646229505 914335497 /nfs/dbraw/zinc/33/54/97/914335497.db2.gz KRUSOLZEXYCJBD-AWEZNQCLSA-N -1 3 382.464 3.581 20 0 GHADHM CSc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1Br ZINC000824150630 899427033 /nfs/dbraw/zinc/42/70/33/899427033.db2.gz ONDMFJASVFGYEV-UHFFFAOYSA-N -1 3 396.310 3.640 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(Br)cc2Cl)n1 ZINC000824153964 899429902 /nfs/dbraw/zinc/42/99/02/899429902.db2.gz CMAYCONKCFRYPC-UHFFFAOYSA-N -1 3 398.688 3.501 20 0 GHADHM C[C@H](CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1nccs1 ZINC000824414053 899610332 /nfs/dbraw/zinc/61/03/32/899610332.db2.gz STAJJVGBFSJPDB-SNVBAGLBSA-N -1 3 385.884 3.765 20 0 GHADHM C[C@H](CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1nccs1 ZINC000824414053 899610355 /nfs/dbraw/zinc/61/03/55/899610355.db2.gz STAJJVGBFSJPDB-SNVBAGLBSA-N -1 3 385.884 3.765 20 0 GHADHM C[C@@H](NC(=O)c1ccncc1F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824521910 899656543 /nfs/dbraw/zinc/65/65/43/899656543.db2.gz OIJZKLZAAKYZIS-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccncc1F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824521910 899656549 /nfs/dbraw/zinc/65/65/49/899656549.db2.gz OIJZKLZAAKYZIS-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCC1 ZINC000824500615 899669773 /nfs/dbraw/zinc/66/97/73/899669773.db2.gz YNEAWYGOIYBJST-GFCCVEGCSA-N -1 3 382.493 3.583 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707366 899778124 /nfs/dbraw/zinc/77/81/24/899778124.db2.gz RCSWAKRUUMRCBC-RFAUZJTJSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707366 899778132 /nfs/dbraw/zinc/77/81/32/899778132.db2.gz RCSWAKRUUMRCBC-RFAUZJTJSA-N -1 3 393.230 3.511 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826404274 899832082 /nfs/dbraw/zinc/83/20/82/899832082.db2.gz UTFUVCKHXZNPCC-UHFFFAOYSA-N -1 3 398.385 3.548 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826404274 899832092 /nfs/dbraw/zinc/83/20/92/899832092.db2.gz UTFUVCKHXZNPCC-UHFFFAOYSA-N -1 3 398.385 3.548 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1=O ZINC000824867784 899845011 /nfs/dbraw/zinc/84/50/11/899845011.db2.gz RIQCDWFAKATCAY-ZFWWWQNUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1=O ZINC000824867784 899845022 /nfs/dbraw/zinc/84/50/22/899845022.db2.gz RIQCDWFAKATCAY-ZFWWWQNUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938066 899897741 /nfs/dbraw/zinc/89/77/41/899897741.db2.gz SHNMLUQRZCSMEM-AAEUAGOBSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938066 899897751 /nfs/dbraw/zinc/89/77/51/899897751.db2.gz SHNMLUQRZCSMEM-AAEUAGOBSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824936094 899897903 /nfs/dbraw/zinc/89/79/03/899897903.db2.gz DSHKSSJDHRENSW-KCXAZCMYSA-N -1 3 383.418 3.655 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824936094 899897908 /nfs/dbraw/zinc/89/79/08/899897908.db2.gz DSHKSSJDHRENSW-KCXAZCMYSA-N -1 3 383.418 3.655 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2c(s1)CCCCC2 ZINC000333035366 899909055 /nfs/dbraw/zinc/90/90/55/899909055.db2.gz ILIYUQUDFLKBEE-UHFFFAOYSA-N -1 3 398.528 3.757 20 0 GHADHM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1F)c1ccc2nsnc2c1 ZINC001186261010 914395777 /nfs/dbraw/zinc/39/57/77/914395777.db2.gz GPNKXQIQSBTNTD-UHFFFAOYSA-N -1 3 393.343 3.530 20 0 GHADHM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1F)c1ccc2nsnc2c1 ZINC001186262667 914398805 /nfs/dbraw/zinc/39/88/05/914398805.db2.gz BTBRYFFGXPXJSV-UHFFFAOYSA-N -1 3 393.343 3.530 20 0 GHADHM CCC(CC)n1nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825114334 899985928 /nfs/dbraw/zinc/98/59/28/899985928.db2.gz LXCNHVAKOYRGPQ-HNNXBMFYSA-N -1 3 395.511 3.956 20 0 GHADHM CCC(CC)n1nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825114334 899985938 /nfs/dbraw/zinc/98/59/38/899985938.db2.gz LXCNHVAKOYRGPQ-HNNXBMFYSA-N -1 3 395.511 3.956 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(NCCC3CCN(CC(F)(F)F)CC3)c2c1 ZINC000572002935 900032668 /nfs/dbraw/zinc/03/26/68/900032668.db2.gz DYANLMFFUKSKBR-UHFFFAOYSA-N -1 3 395.425 3.740 20 0 GHADHM COc1ccc2cc(C=CC(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)ccc2c1 ZINC000825298285 900078333 /nfs/dbraw/zinc/07/83/33/900078333.db2.gz NBXNBFVWVOZMST-POHAHGRESA-N -1 3 389.455 3.941 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826409240 900086458 /nfs/dbraw/zinc/08/64/58/900086458.db2.gz OGNQFXQYGUGVDS-UHFFFAOYSA-N -1 3 392.488 3.860 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826409240 900086465 /nfs/dbraw/zinc/08/64/65/900086465.db2.gz OGNQFXQYGUGVDS-UHFFFAOYSA-N -1 3 392.488 3.860 20 0 GHADHM CCCc1cnc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000825348708 900110177 /nfs/dbraw/zinc/11/01/77/900110177.db2.gz XEFRDCWPFIWIKM-UHFFFAOYSA-N -1 3 383.264 3.835 20 0 GHADHM CCCc1cnc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000825348708 900110185 /nfs/dbraw/zinc/11/01/85/900110185.db2.gz XEFRDCWPFIWIKM-UHFFFAOYSA-N -1 3 383.264 3.835 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000825313363 900115048 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O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@@H]1CCCCS1 ZINC000826460477 900672365 /nfs/dbraw/zinc/67/23/65/900672365.db2.gz FDOOUEIOAXQATF-ZDUSSCGKSA-N -1 3 377.539 3.811 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@@H]1CCCCS1 ZINC000826460477 900672369 /nfs/dbraw/zinc/67/23/69/900672369.db2.gz FDOOUEIOAXQATF-ZDUSSCGKSA-N -1 3 377.539 3.811 20 0 GHADHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000573866016 900672971 /nfs/dbraw/zinc/67/29/71/900672971.db2.gz WMMWHPFUQSPPKR-GFCCVEGCSA-N -1 3 388.320 3.607 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000574762948 900999595 /nfs/dbraw/zinc/99/95/95/900999595.db2.gz BINVBKWDQQEQNP-UUOWRZLLSA-N -1 3 394.515 3.734 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C)c2ccccc2)cc1 ZINC000138186824 901104930 /nfs/dbraw/zinc/10/49/30/901104930.db2.gz PXHQRAICFQKTDE-HNNXBMFYSA-N -1 3 377.462 3.520 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000844849692 901433312 /nfs/dbraw/zinc/43/33/12/901433312.db2.gz OGHHQFMDRHODDS-RHSMWYFYSA-N -1 3 392.496 3.556 20 0 GHADHM COCCC[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000576120638 901696867 /nfs/dbraw/zinc/69/68/67/901696867.db2.gz LPRAFLWNIFKGDN-HNNXBMFYSA-N -1 3 389.883 3.653 20 0 GHADHM CN(C)C(=O)C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc21 ZINC000290174613 914559633 /nfs/dbraw/zinc/55/96/33/914559633.db2.gz YHSWRAVIHNVOEJ-LLVKDONJSA-N -1 3 393.270 3.921 20 0 GHADHM COc1cncc(/C=C/CCN(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000576166617 901747221 /nfs/dbraw/zinc/74/72/21/901747221.db2.gz WAMZADDVMULXRR-GORDUTHDSA-N -1 3 376.403 3.749 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3nc(C(C)C)cs3)nc(=O)c2c1C ZINC000845329158 902047307 /nfs/dbraw/zinc/04/73/07/902047307.db2.gz XEFGLWHUCRZKOI-UHFFFAOYSA-N -1 3 395.531 3.952 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC001144428816 902134854 /nfs/dbraw/zinc/13/48/54/902134854.db2.gz CKVGUEXKCCONSS-SFHVURJKSA-N -1 3 390.443 3.679 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC001144428816 902134873 /nfs/dbraw/zinc/13/48/73/902134873.db2.gz CKVGUEXKCCONSS-SFHVURJKSA-N -1 3 390.443 3.679 20 0 GHADHM CC[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000290330820 914632366 /nfs/dbraw/zinc/63/23/66/914632366.db2.gz JKVAVSMKFLZSND-HZPDHXFCSA-N -1 3 384.442 3.796 20 0 GHADHM Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000577131423 902525514 /nfs/dbraw/zinc/52/55/14/902525514.db2.gz MEBUOFZIJVFKSZ-UHFFFAOYSA-N -1 3 395.850 3.825 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1c(F)cc(F)c(F)c1Br ZINC001144628896 902532707 /nfs/dbraw/zinc/53/27/07/902532707.db2.gz LODPFQIQWRUACH-UHFFFAOYSA-N -1 3 378.119 3.892 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001144633081 902540669 /nfs/dbraw/zinc/54/06/69/902540669.db2.gz CNMGJVSJBWQVGV-HXUWFJFHSA-N -1 3 375.827 3.882 20 0 GHADHM CN1CCC(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC000577150443 902540680 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387.505 3.778 20 0 GHADHM CN(CC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1)C(=O)OC(C)(C)C ZINC000264202698 902917087 /nfs/dbraw/zinc/91/70/87/902917087.db2.gz JPPBBIPKNSWJBI-UHFFFAOYSA-N -1 3 399.491 3.660 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1cnn(CC(F)(F)F)c1 ZINC000846921755 903303911 /nfs/dbraw/zinc/30/39/11/903303911.db2.gz CQLKPKUXCDYNNF-UHFFFAOYSA-N -1 3 391.340 3.641 20 0 GHADHM CN(Cc1ncc(Cl)n1C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000779056727 903618144 /nfs/dbraw/zinc/61/81/44/903618144.db2.gz YVMVWNJBTVJOER-UHFFFAOYSA-N -1 3 383.879 3.837 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001146840002 903622864 /nfs/dbraw/zinc/62/28/64/903622864.db2.gz ITXMDOMQPULRTE-SFHVURJKSA-N -1 3 392.908 3.861 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c2C1 ZINC001146845333 903624129 /nfs/dbraw/zinc/62/41/29/903624129.db2.gz DDRJOPAMDYVSOF-UHFFFAOYSA-N -1 3 396.447 3.563 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136714697 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3 381.885 3.855 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801803344 921509951 /nfs/dbraw/zinc/50/99/51/921509951.db2.gz ACPCYXORFDOVTI-AWEZNQCLSA-N -1 3 390.358 3.726 20 0 GHADHM CCCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000901723610 921512773 /nfs/dbraw/zinc/51/27/73/921512773.db2.gz ZUTJXRKWHNSIMO-OAQYLSRUSA-N -1 3 394.515 3.831 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(Oc3ccncc3)c2)c([O-])c(OC)c1 ZINC001179882814 909804819 /nfs/dbraw/zinc/80/48/19/909804819.db2.gz CCEJBVUOSLWCLQ-UHFFFAOYSA-N -1 3 394.383 3.627 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000268266365 909815333 /nfs/dbraw/zinc/81/53/33/909815333.db2.gz NUJXMKQYISORGD-QGZVFWFLSA-N -1 3 382.508 3.770 20 0 GHADHM O=C(Cc1cc(C(F)(F)F)cc(Cl)c1F)Nc1ccccc1-c1nnn[n-]1 ZINC001179985391 909851705 /nfs/dbraw/zinc/85/17/05/909851705.db2.gz PSMLUVBQQCUJFQ-UHFFFAOYSA-N -1 3 399.735 3.859 20 0 GHADHM O=C(Cc1cc(C(F)(F)F)cc(Cl)c1F)Nc1ccccc1-c1nn[n-]n1 ZINC001179985391 909851721 /nfs/dbraw/zinc/85/17/21/909851721.db2.gz PSMLUVBQQCUJFQ-UHFFFAOYSA-N -1 3 399.735 3.859 20 0 GHADHM CCO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2ccccc2F)[C@H]1Sc1ccccc1 ZINC000901750242 921533922 /nfs/dbraw/zinc/53/39/22/921533922.db2.gz RASMDZDAFWUBLH-ZSYWTGECSA-N -1 3 375.465 3.879 20 0 GHADHM CC(C)c1c([N-]S(=O)(=O)C[C@H]2CCCOC2)cnn1-c1ccccc1Cl ZINC000795352886 910037821 /nfs/dbraw/zinc/03/78/21/910037821.db2.gz LWUKMEZDSSFOTR-AWEZNQCLSA-N -1 3 397.928 3.817 20 0 GHADHM O=C(Nc1ncccc1[O-])C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180814933 910382728 /nfs/dbraw/zinc/38/27/28/910382728.db2.gz NLYKCNRVOAWFIV-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001181171710 910582284 /nfs/dbraw/zinc/58/22/84/910582284.db2.gz OWFYIODHRCXGHM-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001181171710 910582290 /nfs/dbraw/zinc/58/22/90/910582290.db2.gz OWFYIODHRCXGHM-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc(OC)c1[O-] ZINC000270697912 910664948 /nfs/dbraw/zinc/66/49/48/910664948.db2.gz DUTRAMLBIQLFRZ-XIKOKIGWSA-N -1 3 391.851 3.665 20 0 GHADHM O=C(Cc1cccc(C(F)(F)F)c1Cl)Nc1ccccc1-c1nnn[n-]1 ZINC001181714159 910929194 /nfs/dbraw/zinc/92/91/94/910929194.db2.gz ZSLHZLGBKATKIO-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1cccc(C(F)(F)F)c1Cl)Nc1ccccc1-c1nn[n-]n1 ZINC001181714159 910929213 /nfs/dbraw/zinc/92/92/13/910929213.db2.gz ZSLHZLGBKATKIO-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640290846 910953401 /nfs/dbraw/zinc/95/34/01/910953401.db2.gz SXQUFIKJSPZTQB-UHFFFAOYSA-N -1 3 387.214 3.900 20 0 GHADHM Cc1ccccc1[C@H]1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640292895 910954881 /nfs/dbraw/zinc/95/48/81/910954881.db2.gz OXJVNXWYSNLIBK-LBPRGKRZSA-N -1 3 386.805 3.851 20 0 GHADHM COc1ccc(F)cc1[C@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293338 910955483 /nfs/dbraw/zinc/95/54/83/910955483.db2.gz WZBHGTHBZANPSR-QMMMGPOBSA-N -1 3 394.756 3.551 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308819 910963323 /nfs/dbraw/zinc/96/33/23/910963323.db2.gz UFWLSGQGNURIRZ-JTQLQIEISA-N -1 3 377.242 3.576 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)N=c2[n-]n(C)cc2Br)o1 ZINC000640313274 910965538 /nfs/dbraw/zinc/96/55/38/910965538.db2.gz HSRBMNYQTLGPTA-ZWNOBZJWSA-N -1 3 381.274 3.511 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C1(c2ccc(C)cc2)CCCCC1 ZINC001181868527 911050745 /nfs/dbraw/zinc/05/07/45/911050745.db2.gz OQBYGCMLZJHRAN-UHFFFAOYSA-N -1 3 398.459 3.737 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CC2(CC(N)=O)CCCCC2)c([O-])c1 ZINC001182180507 911223984 /nfs/dbraw/zinc/22/39/84/911223984.db2.gz DWCLEOXCIFEDGE-UHFFFAOYSA-N -1 3 390.480 3.502 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccccc2NCCCC2(O)CCC2)cc1 ZINC000641638695 911466847 /nfs/dbraw/zinc/46/68/47/911466847.db2.gz FXUKMLPHHIVDRX-UHFFFAOYSA-N -1 3 390.505 3.603 20 0 GHADHM CCCCOc1ccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1OC ZINC000901883988 921690223 /nfs/dbraw/zinc/69/02/23/921690223.db2.gz SOTYZCPWLUDDDJ-UHFFFAOYSA-N -1 3 387.480 3.606 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000642214775 911872346 /nfs/dbraw/zinc/87/23/46/911872346.db2.gz OAWNKAJDKRDDDA-UHFFFAOYSA-N -1 3 375.490 3.998 20 0 GHADHM Cc1[nH]c2ncccc2c1CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001182621252 911902980 /nfs/dbraw/zinc/90/29/80/911902980.db2.gz NOSUJUHLCPPJLE-UHFFFAOYSA-N -1 3 381.432 3.713 20 0 GHADHM COc1cc(F)cc(OC)c1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000901894485 921708374 /nfs/dbraw/zinc/70/83/74/921708374.db2.gz SINOTYYUVURWJD-CVEARBPZSA-N -1 3 393.842 3.797 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1(c2ccc(Cl)cc2)CC(O)C1 ZINC001182938267 912167597 /nfs/dbraw/zinc/16/75/97/912167597.db2.gz LBKYAFWHVNKGHQ-UHFFFAOYSA-N -1 3 396.668 3.839 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC001182972368 912194803 /nfs/dbraw/zinc/19/48/03/912194803.db2.gz SFKRIBDKUROMHT-UHFFFAOYSA-N -1 3 385.423 3.909 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)c1Cl ZINC000285214762 912208763 /nfs/dbraw/zinc/20/87/63/912208763.db2.gz WPCHONQSKVTQQJ-DZGCQCFKSA-N -1 3 387.288 3.505 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1ncc(Br)cc1F ZINC000775061001 914901560 /nfs/dbraw/zinc/90/15/60/914901560.db2.gz OYVVALIGCGOGMZ-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1ccc(-c2nnco2)cc1 ZINC001187061853 914995679 /nfs/dbraw/zinc/99/56/79/914995679.db2.gz IVZSSJVLTWPHDK-UHFFFAOYSA-N -1 3 384.244 3.985 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000291138948 915001573 /nfs/dbraw/zinc/00/15/73/915001573.db2.gz WFRQLKJZVYZUOB-RBUKOAKNSA-N -1 3 384.867 3.744 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000291205019 915035514 /nfs/dbraw/zinc/03/55/14/915035514.db2.gz UUPXKLLQZONLJE-NEPJUHHUSA-N -1 3 391.821 3.501 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1COCc1ccccc1)C(C)C ZINC000647124735 915038973 /nfs/dbraw/zinc/03/89/73/915038973.db2.gz XLYFYCWALNLPEM-HXUWFJFHSA-N -1 3 377.506 3.816 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccc(CC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001187273208 915141640 /nfs/dbraw/zinc/14/16/40/915141640.db2.gz KEUNPFYFMACOSK-UHFFFAOYSA-N -1 3 388.439 3.780 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(COC[C@H]2CCOC2)no1 ZINC000647442669 915261772 /nfs/dbraw/zinc/26/17/72/915261772.db2.gz MWFQHDUUUYSAFG-INIZCTEOSA-N -1 3 382.416 3.574 20 0 GHADHM O=C(CCCOc1ccccc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647798221 915390360 /nfs/dbraw/zinc/39/03/60/915390360.db2.gz DMSJBXCORMNQIM-UHFFFAOYSA-N -1 3 390.237 3.829 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC001187657463 915414920 /nfs/dbraw/zinc/41/49/20/915414920.db2.gz JEXSJBPIFNOUSI-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000291951319 915435603 /nfs/dbraw/zinc/43/56/03/915435603.db2.gz UMHPGTFPBLQUJF-KRWDZBQOSA-N -1 3 378.432 3.958 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2ccc3sccc3c2)C1)C(F)(F)F ZINC000292064608 915500150 /nfs/dbraw/zinc/50/01/50/915500150.db2.gz SINYCZQUBVMJQF-ZDUSSCGKSA-N -1 3 399.438 3.501 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccccc1Cl ZINC001187975787 915656584 /nfs/dbraw/zinc/65/65/84/915656584.db2.gz WRJJVFKGMKOLPO-HNNXBMFYSA-N -1 3 375.824 3.593 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC001188036728 915695550 /nfs/dbraw/zinc/69/55/50/915695550.db2.gz ZQHFGXVKPGPOMV-CQSZACIVSA-N -1 3 394.306 3.844 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCc2c1cccc2Cl ZINC000648432206 915699298 /nfs/dbraw/zinc/69/92/98/915699298.db2.gz TWWKUXALFRMYNG-SNVBAGLBSA-N -1 3 378.181 3.843 20 0 GHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433699 915699414 /nfs/dbraw/zinc/69/94/14/915699414.db2.gz LBLYREXXGWPKCQ-SECBINFHSA-N -1 3 396.196 3.889 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1F)c1cnc(Cl)c(Cl)c1 ZINC001188048141 915701523 /nfs/dbraw/zinc/70/15/23/915701523.db2.gz YINZCALUCASJST-UHFFFAOYSA-N -1 3 390.145 3.742 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188034895 915727011 /nfs/dbraw/zinc/72/70/11/915727011.db2.gz SVFWUZMGWABGEJ-UHFFFAOYSA-N -1 3 383.659 3.702 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188242039 915819350 /nfs/dbraw/zinc/81/93/50/915819350.db2.gz DFBMTUMPGQZBMB-UHFFFAOYSA-N -1 3 393.818 3.616 20 0 GHADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(F)cc1F ZINC001188223080 915843762 /nfs/dbraw/zinc/84/37/62/915843762.db2.gz SIJHWNIRCINUFR-GFCCVEGCSA-N -1 3 397.369 3.772 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188444603 915949574 /nfs/dbraw/zinc/94/95/74/915949574.db2.gz AXIRPKQBGASMJY-UHFFFAOYSA-N -1 3 394.431 3.874 20 0 GHADHM O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000293056681 915977862 /nfs/dbraw/zinc/97/78/62/915977862.db2.gz UMZLLPMXJVJPAE-UHFFFAOYSA-N -1 3 399.878 3.704 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)c1ccccc1 ZINC001188459752 915985538 /nfs/dbraw/zinc/98/55/38/915985538.db2.gz YITLJQVAMHUTCX-FQEVSTJZSA-N -1 3 399.443 3.685 20 0 GHADHM O=C(c1cc([O-])cc(Cl)c1)N1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001275686709 916002148 /nfs/dbraw/zinc/00/21/48/916002148.db2.gz NGMGMKQEWDMUDM-HXUWFJFHSA-N -1 3 376.884 3.585 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Oc2ccc(F)cc2)cc1)c1cscn1 ZINC001188497602 916014400 /nfs/dbraw/zinc/01/44/00/916014400.db2.gz GQYRCBQPGOZAFS-UHFFFAOYSA-N -1 3 378.450 3.596 20 0 GHADHM C[C@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC=CCC1 ZINC000649194355 916054942 /nfs/dbraw/zinc/05/49/42/916054942.db2.gz DKCHPRTYPXPCAX-FQEVSTJZSA-N -1 3 376.884 3.969 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1cccc(C(=O)OCC)c1 ZINC001188641715 916098578 /nfs/dbraw/zinc/09/85/78/916098578.db2.gz DFSUSZAYMMLDGP-UHFFFAOYSA-N -1 3 387.392 3.549 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC001188690094 916114010 /nfs/dbraw/zinc/11/40/10/916114010.db2.gz SZKWFDIPQNOEGJ-GFCCVEGCSA-N -1 3 387.398 3.928 20 0 GHADHM Cc1c2ccccc2nc(NC[C@H](c2ccco2)N2CCCCC2)c1C(=O)[O-] ZINC000649382923 916130895 /nfs/dbraw/zinc/13/08/95/916130895.db2.gz KMZOZJALMABJQJ-GOSISDBHSA-N -1 3 379.460 3.895 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)[C@@H](C)[C@@H]1OC ZINC001188741093 916170120 /nfs/dbraw/zinc/17/01/20/916170120.db2.gz IEWXQDIRDNGJPI-JLZZUVOBSA-N -1 3 383.485 3.998 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(-c2ccccc2)s1 ZINC001188759134 916185488 /nfs/dbraw/zinc/18/54/88/916185488.db2.gz WQVSANGDLCKPOY-QGZVFWFLSA-N -1 3 385.514 3.943 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1F)c1ccc(Oc2cccnc2)cc1 ZINC001188858728 916262441 /nfs/dbraw/zinc/26/24/41/916262441.db2.gz YMLUIFKESFAQFQ-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COC[C@](C)([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)C(F)(F)F ZINC000775208129 916294882 /nfs/dbraw/zinc/29/48/82/916294882.db2.gz JVAJDWRMOUHLQP-JTQLQIEISA-N -1 3 397.362 3.544 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001188968545 916315521 /nfs/dbraw/zinc/31/55/21/916315521.db2.gz MVMCCDICZRAEIB-WDEREUQCSA-N -1 3 396.372 3.689 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001189009577 916336801 /nfs/dbraw/zinc/33/68/01/916336801.db2.gz AVKOHRGLUJAONN-CQSZACIVSA-N -1 3 381.444 3.680 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC001189021160 916346814 /nfs/dbraw/zinc/34/68/14/916346814.db2.gz VQLMYTFGCIFEFH-GDBMZVCRSA-N -1 3 381.929 3.620 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189103395 916404782 /nfs/dbraw/zinc/40/47/82/916404782.db2.gz FYEKIVMKCJZKKN-UHFFFAOYSA-N -1 3 388.272 3.764 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)c1 ZINC001189192095 916452136 /nfs/dbraw/zinc/45/21/36/916452136.db2.gz YWARORGZVHCIFI-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM CCN1Cc2cc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)ccc2C1=O ZINC001189531702 916727334 /nfs/dbraw/zinc/72/73/34/916727334.db2.gz LNRSYTRWYYXKFS-UHFFFAOYSA-N -1 3 398.406 3.623 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1c2ncsc2ccc1Cl ZINC001189569923 916744500 /nfs/dbraw/zinc/74/45/00/916744500.db2.gz IQHBZQONVXZBIU-UHFFFAOYSA-N -1 3 391.905 3.952 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1C ZINC001189697226 916838345 /nfs/dbraw/zinc/83/83/45/916838345.db2.gz ORIJSVQROIZDDF-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM CC(C)CNC(=O)c1cccc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c1 ZINC001189765520 916901710 /nfs/dbraw/zinc/90/17/10/916901710.db2.gz DLAIIJZJHOBDJS-UHFFFAOYSA-N -1 3 396.365 3.929 20 0 GHADHM O=C(Nc1ccc(Cn2ccnc2)cc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766597 916901917 /nfs/dbraw/zinc/90/19/17/916901917.db2.gz LOAYFXGOVKPBKC-UHFFFAOYSA-N -1 3 377.322 3.788 20 0 GHADHM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1 ZINC001189823744 916946727 /nfs/dbraw/zinc/94/67/27/916946727.db2.gz NHTARPFWSFSTTP-UHFFFAOYSA-N -1 3 394.443 3.579 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(Br)cc1F ZINC001189823482 916946828 /nfs/dbraw/zinc/94/68/28/916946828.db2.gz JPZMHCXHCCZSQM-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000650505488 917042443 /nfs/dbraw/zinc/04/24/43/917042443.db2.gz FVSJNQKMHWNVCH-MSOLQXFVSA-N -1 3 378.488 3.748 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H](c2ccccc2)C1)c1cccc(Br)n1 ZINC001190025358 917063058 /nfs/dbraw/zinc/06/30/58/917063058.db2.gz RKCMYIMDPBDYDY-CABCVRRESA-N -1 3 395.322 3.849 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)c1ccc(C)c(C)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001190196742 917192479 /nfs/dbraw/zinc/19/24/79/917192479.db2.gz BDCZTWZAWOUQSJ-IBGZPJMESA-N -1 3 395.908 3.714 20 0 GHADHM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1c(Cl)cccc1CO ZINC001190256477 917214277 /nfs/dbraw/zinc/21/42/77/917214277.db2.gz BLNDIVNCBXFRDP-UHFFFAOYSA-N -1 3 395.786 3.661 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1cc(C(F)(F)F)ccc1F ZINC001190296734 917254281 /nfs/dbraw/zinc/25/42/81/917254281.db2.gz XZCWYPHUBZUXNQ-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F ZINC001190340545 917272044 /nfs/dbraw/zinc/27/20/44/917272044.db2.gz WQGPLXUXXNAFAG-JSGCOSHPSA-N -1 3 377.334 3.818 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(F)c1)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350623 917278561 /nfs/dbraw/zinc/27/85/61/917278561.db2.gz PNBYXIRLYVEUHB-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C(F)(F)F ZINC001190401733 917302100 /nfs/dbraw/zinc/30/21/00/917302100.db2.gz NOPCGHPOWVMACC-UHFFFAOYSA-N -1 3 383.313 3.910 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC001190448374 917349436 /nfs/dbraw/zinc/34/94/36/917349436.db2.gz YEVWRJJIAAHYFR-KRWDZBQOSA-N -1 3 383.554 3.951 20 0 GHADHM CCC1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCCC1 ZINC001190510043 917373416 /nfs/dbraw/zinc/37/34/16/917373416.db2.gz DPOGYNBOCVSCME-UHFFFAOYSA-N -1 3 381.723 3.889 20 0 GHADHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1(Cc2ccc(Cl)cc2)CCC1 ZINC001190817875 917580165 /nfs/dbraw/zinc/58/01/65/917580165.db2.gz MTIRFYBHVNIKAG-HSZRJFAPSA-N -1 3 392.974 3.536 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccc(C)cc32)c1 ZINC001190858224 917612643 /nfs/dbraw/zinc/61/26/43/917612643.db2.gz SVCMTWXWEWRPAZ-QGZVFWFLSA-N -1 3 391.464 3.585 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2)no1 ZINC000295996432 917721547 /nfs/dbraw/zinc/72/15/47/917721547.db2.gz PLCHTCGPJMTIFJ-UHFFFAOYSA-N -1 3 385.445 3.635 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(O)ccc2Br)c1 ZINC001191184775 917838480 /nfs/dbraw/zinc/83/84/80/917838480.db2.gz GCVSTDBBTKOMKP-UHFFFAOYSA-N -1 3 393.262 3.812 20 0 GHADHM Cc1nnc(SCc2noc(-c3ccccc3[O-])n2)n1Cc1ccccc1 ZINC000363180905 917874535 /nfs/dbraw/zinc/87/45/35/917874535.db2.gz NPWKYWSAMMKHIT-UHFFFAOYSA-N -1 3 379.445 3.683 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001191304682 917906326 /nfs/dbraw/zinc/90/63/26/917906326.db2.gz UDQYCSCSJAJYQC-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(O)c(F)c(F)c2)c1 ZINC001191304578 917906723 /nfs/dbraw/zinc/90/67/23/917906723.db2.gz MXWYXFUAMYUEMV-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000652505309 917914461 /nfs/dbraw/zinc/91/44/61/917914461.db2.gz ARQGWHIGWOJWGB-UHFFFAOYSA-N -1 3 383.370 3.625 20 0 GHADHM CCCOc1ccc(Br)cc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652512953 917916645 /nfs/dbraw/zinc/91/66/45/917916645.db2.gz SJGXUPUGKKYVLK-JKSUJKDBSA-N -1 3 382.298 3.781 20 0 GHADHM O=C(Nc1cc(F)ccc1SCC(F)F)c1nnc2ccccc2c1[O-] ZINC000121393946 918158056 /nfs/dbraw/zinc/15/80/56/918158056.db2.gz YDGHCUAVASWDQJ-UHFFFAOYSA-N -1 3 379.363 3.672 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C1CCC(F)(F)CC1 ZINC001191887017 918281083 /nfs/dbraw/zinc/28/10/83/918281083.db2.gz ZBYNNLOGXDJUEJ-QMMMGPOBSA-N -1 3 395.884 3.837 20 0 GHADHM CC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc(C(C)=O)c1 ZINC001191904756 918294284 /nfs/dbraw/zinc/29/42/84/918294284.db2.gz BDFWSUHZNICDTR-UHFFFAOYSA-N -1 3 383.828 3.826 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3ccnc(N4CCCC4)c3)ccc2c1 ZINC001191939517 918309938 /nfs/dbraw/zinc/30/99/38/918309938.db2.gz BYIIDYJQYIUGMU-UHFFFAOYSA-N -1 3 383.473 3.644 20 0 GHADHM Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(=O)[n-]c(C4CC4)n3)cc2)cc1 ZINC001192063156 918398005 /nfs/dbraw/zinc/39/80/05/918398005.db2.gz HNEMWGVGGZASKU-UHFFFAOYSA-N -1 3 381.457 3.836 20 0 GHADHM COc1cc(/C=C2\NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1[O-] ZINC000015254899 919369367 /nfs/dbraw/zinc/36/93/67/919369367.db2.gz GFGBEYFBPIFSHK-ZSOIEALJSA-N -1 3 388.876 3.933 20 0 GHADHM C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc2ccccc21 ZINC000115646682 919460954 /nfs/dbraw/zinc/46/09/54/919460954.db2.gz NHSDZCPRYLGJER-AWEZNQCLSA-N -1 3 389.411 3.857 20 0 GHADHM C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc2ccccc21 ZINC000115646682 919460962 /nfs/dbraw/zinc/46/09/62/919460962.db2.gz NHSDZCPRYLGJER-AWEZNQCLSA-N -1 3 389.411 3.857 20 0 GHADHM CCCOC1(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCCCC1 ZINC001149064905 919500768 /nfs/dbraw/zinc/50/07/68/919500768.db2.gz PWVJHTVOXQQMOW-UHFFFAOYSA-N -1 3 378.419 3.666 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1ccc(C)c(Cl)c1)OCC ZINC001202801094 919588757 /nfs/dbraw/zinc/58/87/57/919588757.db2.gz YQUYHFFWCYTHIC-UHFFFAOYSA-N -1 3 394.859 3.730 20 0 GHADHM Cc1ccc(CN[C@@H](CCC(=O)OCc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000900057050 919780636 /nfs/dbraw/zinc/78/06/36/919780636.db2.gz CPXOQIISMNGVTJ-SFHVURJKSA-N -1 3 375.852 3.715 20 0 GHADHM CO[C@H](C)[C@H](NCc1cc(F)ccc1Oc1ccc(SC)cc1)C(=O)[O-] ZINC000900060086 919787004 /nfs/dbraw/zinc/78/70/04/919787004.db2.gz ZNYLHBAGRRQSTD-XIKOKIGWSA-N -1 3 379.453 3.918 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000800263341 919807923 /nfs/dbraw/zinc/80/79/23/919807923.db2.gz WIBRLXVJUDSTCP-MRVPVSSYSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000800263341 919807935 /nfs/dbraw/zinc/80/79/35/919807935.db2.gz WIBRLXVJUDSTCP-MRVPVSSYSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000800263341 919807951 /nfs/dbraw/zinc/80/79/51/919807951.db2.gz WIBRLXVJUDSTCP-MRVPVSSYSA-N -1 3 387.758 3.718 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1cc(F)c(F)c(F)c1Br ZINC001259872293 920116554 /nfs/dbraw/zinc/11/65/54/920116554.db2.gz NSFVWHJDYRGSNL-UHFFFAOYSA-N -1 3 386.111 3.561 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)c([O-])c1 ZINC000364983135 920266856 /nfs/dbraw/zinc/26/68/56/920266856.db2.gz FQVFHPQKKGXOOP-KRWDZBQOSA-N -1 3 388.464 3.607 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2C1 ZINC000800839318 920514775 /nfs/dbraw/zinc/51/47/75/920514775.db2.gz DJOQYOZDDLXRRN-INIZCTEOSA-N -1 3 385.407 3.928 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000900734735 920560243 /nfs/dbraw/zinc/56/02/43/920560243.db2.gz JWMYVDQSYCZCOE-HNNXBMFYSA-N -1 3 375.881 3.643 20 0 GHADHM CC(C)(CNC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1Br ZINC000901158317 920877637 /nfs/dbraw/zinc/87/76/37/920877637.db2.gz REEFBTQRLDHMNF-UHFFFAOYSA-N -1 3 390.281 3.530 20 0 GHADHM O=c1[n-]c(S[C@@H]([C@@H]2CCOC2)C(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000901361022 921035775 /nfs/dbraw/zinc/03/57/75/921035775.db2.gz MMCJDGSORYDIOJ-MFKMUULPSA-N -1 3 396.394 3.581 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3csc(C(=O)[O-])c3)C2)cc1 ZINC000901428301 921097760 /nfs/dbraw/zinc/09/77/60/921097760.db2.gz JRHPFVULNVVMLO-OAHLLOKOSA-N -1 3 387.505 3.788 20 0 GHADHM COc1ccc(OCCN(C)Cc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000902071767 921853523 /nfs/dbraw/zinc/85/35/23/921853523.db2.gz HYUXOJFZVQEKDJ-UHFFFAOYSA-N -1 3 394.265 3.667 20 0 GHADHM COc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])c(Br)c1)CC2 ZINC000902131551 921904424 /nfs/dbraw/zinc/90/44/24/921904424.db2.gz JEXQNIMPIYXNAQ-UHFFFAOYSA-N -1 3 390.277 3.757 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](c2nnc([N-]Cc3nccc4c3CCCC4)o2)C1 ZINC000902138218 921907073 /nfs/dbraw/zinc/90/70/73/921907073.db2.gz BYQJOSQLALZGLR-OAHLLOKOSA-N -1 3 399.495 3.680 20 0 GHADHM C[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000902174015 921952171 /nfs/dbraw/zinc/95/21/71/921952171.db2.gz LUMSCYXUHLCFRQ-CYBMUJFWSA-N -1 3 383.366 3.942 20 0 GHADHM CCCCCCNC(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902201799 921981098 /nfs/dbraw/zinc/98/10/98/921981098.db2.gz OTSODCKIQMHTSG-INIZCTEOSA-N -1 3 380.916 3.947 20 0 GHADHM O=C([O-])C=Cc1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)o1 ZINC000902204586 921984966 /nfs/dbraw/zinc/98/49/66/921984966.db2.gz SCMNXWUFQGSIDD-CMDGGOBGSA-N -1 3 378.432 3.542 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000902320333 922085719 /nfs/dbraw/zinc/08/57/19/922085719.db2.gz AUHVUHHNDIJLFT-NRFANRHFSA-N -1 3 399.535 3.507 20 0 GHADHM Cc1ccc(CNCc2ccnc3c(C(=O)[O-])cccc23)c(O[C@@H]2CCOC2)c1 ZINC000902357080 922117847 /nfs/dbraw/zinc/11/78/47/922117847.db2.gz VTNPXYYNCNHQPX-GOSISDBHSA-N -1 3 392.455 3.699 20 0 GHADHM O=C([O-])C(F)(F)[C@@H]1CC[C@@H](NCc2csc(CCc3ccccc3)n2)C1 ZINC000902364487 922126271 /nfs/dbraw/zinc/12/62/71/922126271.db2.gz PYOINGJQAYMUEJ-HUUCEWRRSA-N -1 3 380.460 3.907 20 0 GHADHM C[C@@H](Oc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1)C(=O)[O-] ZINC000902378415 922139258 /nfs/dbraw/zinc/13/92/58/922139258.db2.gz NLZKRFVENVMYSJ-XMSQKQJNSA-N -1 3 383.488 3.762 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000902553979 922277846 /nfs/dbraw/zinc/27/78/46/922277846.db2.gz BTZHXDMWACXZDE-DAYGRLMNSA-N -1 3 387.911 3.976 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4cccc5c4OCO5)CC3)c2c1 ZINC000902569733 922307997 /nfs/dbraw/zinc/30/79/97/922307997.db2.gz GZQBOMKBBVEXML-UHFFFAOYSA-N -1 3 378.428 3.974 20 0 GHADHM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000902825333 922532688 /nfs/dbraw/zinc/53/26/88/922532688.db2.gz LHBWUWDGNVSLQR-IBGZPJMESA-N -1 3 392.499 3.966 20 0 GHADHM Cc1ncc(CC[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)s1 ZINC000902904824 922588842 /nfs/dbraw/zinc/58/88/42/922588842.db2.gz LNNOZCQNERTTAV-UHFFFAOYSA-N -1 3 399.772 3.969 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCS[C@H](C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000902908361 922590636 /nfs/dbraw/zinc/59/06/36/922590636.db2.gz LBABZELSIOZVMJ-AWEZNQCLSA-N -1 3 398.410 3.669 20 0 GHADHM C[C@]1(CS(=O)(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)CC1(Cl)Cl ZINC000903102407 922774921 /nfs/dbraw/zinc/77/49/21/922774921.db2.gz YGOFHKGHNPJHIK-SNVBAGLBSA-N -1 3 384.153 3.708 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@H](C)c1cc(Cl)ccc1Cl)C[C@H]2C(=O)[O-] ZINC000903416709 923002295 /nfs/dbraw/zinc/00/22/95/923002295.db2.gz RPEBWNKEHWUJOK-YMMLGLIDSA-N -1 3 386.275 3.640 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC000903911595 923393577 /nfs/dbraw/zinc/39/35/77/923393577.db2.gz KFWQUJLAGGRLKM-HBFSDRIKSA-N -1 3 384.451 3.972 20 0 GHADHM Cc1cc(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)c(C)cc1I ZINC000903913373 923396174 /nfs/dbraw/zinc/39/61/74/923396174.db2.gz PCXSHSCRRGUVCV-DOTOQJQBSA-N -1 3 399.272 3.737 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000826730397 924130643 /nfs/dbraw/zinc/13/06/43/924130643.db2.gz AAQFZAKYOFMTBW-ZDUSSCGKSA-N -1 3 394.537 3.880 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000682530178 926153652 /nfs/dbraw/zinc/15/36/52/926153652.db2.gz MKENEOBVGMURFS-UHFFFAOYSA-N -1 3 381.341 3.501 20 0 GHADHM NS(=O)(=O)c1cc(C(=O)[N-]c2cccc(Cl)c2SC(F)F)cs1 ZINC000725747482 926424659 /nfs/dbraw/zinc/42/46/59/926424659.db2.gz QTJMMRFYIDGMLJ-UHFFFAOYSA-N -1 3 398.865 3.616 20 0 GHADHM CN(Cc1cn2c(n1)CCCC2)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411639736 926594650 /nfs/dbraw/zinc/59/46/50/926594650.db2.gz USJHGDVDAAHGBV-UHFFFAOYSA-N -1 3 395.488 3.822 20 0 GHADHM COc1ccc(C)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1N ZINC000727006778 926983748 /nfs/dbraw/zinc/98/37/48/926983748.db2.gz PGNVQZOOIZIJEC-SNVBAGLBSA-N -1 3 387.461 3.831 20 0 GHADHM CC(C)N(CCc1nccs1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412215543 927217705 /nfs/dbraw/zinc/21/77/05/927217705.db2.gz NHAKQVSYVLKOCE-UHFFFAOYSA-N -1 3 375.881 3.731 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000749851808 927314041 /nfs/dbraw/zinc/31/40/41/927314041.db2.gz JGORYWJRAWQBGB-ZDUSSCGKSA-N -1 3 398.463 3.523 20 0 GHADHM CCc1nc2cc(CNC(=O)c3ccc(C(C)=O)c([O-])c3)ccc2n1C1CC1 ZINC000412329050 927337454 /nfs/dbraw/zinc/33/74/54/927337454.db2.gz IQWLGACZNQIQHW-UHFFFAOYSA-N -1 3 377.444 3.772 20 0 GHADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2ccccc2)c1Cl ZINC000751687500 928323998 /nfs/dbraw/zinc/32/39/98/928323998.db2.gz USOJBYUKUDHTCM-SNVBAGLBSA-N -1 3 388.272 3.820 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1nc(C2CCCCC2)no1 ZINC000752008421 928547811 /nfs/dbraw/zinc/54/78/11/928547811.db2.gz VKIWENAQFALYEV-GFCCVEGCSA-N -1 3 393.390 3.779 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000467182709 928798737 /nfs/dbraw/zinc/79/87/37/928798737.db2.gz SGTUIUPLZKAFQB-QMMMGPOBSA-N -1 3 391.191 3.793 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000467182709 928798739 /nfs/dbraw/zinc/79/87/39/928798739.db2.gz SGTUIUPLZKAFQB-QMMMGPOBSA-N -1 3 391.191 3.793 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)ccc1F ZINC000752415384 928816420 /nfs/dbraw/zinc/81/64/20/928816420.db2.gz KLYGZPVNKCCQTO-QGZVFWFLSA-N -1 3 398.887 3.514 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1F ZINC000752504093 928852809 /nfs/dbraw/zinc/85/28/09/928852809.db2.gz XKDMUMOKQVYEFB-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000544185750 928904098 /nfs/dbraw/zinc/90/40/98/928904098.db2.gz RNTIQRZAQIEPQR-UHFFFAOYSA-N -1 3 393.447 3.606 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)c(=O)[n-]1 ZINC000544245700 928975061 /nfs/dbraw/zinc/97/50/61/928975061.db2.gz PTWKCVRUBAGNBT-IBGZPJMESA-N -1 3 396.878 3.927 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000544283419 929019286 /nfs/dbraw/zinc/01/92/86/929019286.db2.gz FUAMVOUDKYMSJZ-JKSUJKDBSA-N -1 3 394.397 3.645 20 0 GHADHM CCc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)co1 ZINC000544388867 929121310 /nfs/dbraw/zinc/12/13/10/929121310.db2.gz UIGLOWSMDRTUMY-UHFFFAOYSA-N -1 3 399.472 3.907 20 0 GHADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1F ZINC000753364477 929318565 /nfs/dbraw/zinc/31/85/65/929318565.db2.gz XJBQFZWDTMVGOA-UHFFFAOYSA-N -1 3 394.424 3.518 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467712275 929328848 /nfs/dbraw/zinc/32/88/48/929328848.db2.gz YMOPHVRUUUMRBP-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM CCCCCCn1nc(C(=O)Nc2nc(C)ccc2[O-])c2ccccc2c1=O ZINC000753471108 929362842 /nfs/dbraw/zinc/36/28/42/929362842.db2.gz RNANTYPPESIATI-UHFFFAOYSA-N -1 3 380.448 3.638 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2Cl)ccc1F ZINC000753477070 929365444 /nfs/dbraw/zinc/36/54/44/929365444.db2.gz YFCKWOMSLWYVEM-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM CCO[C@@H](CC[N-]S(=O)(=O)c1sc(C)cc1Br)C(C)C ZINC000467789946 929421059 /nfs/dbraw/zinc/42/10/59/929421059.db2.gz SHEJVSKIADBCPY-LBPRGKRZSA-N -1 3 384.361 3.549 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000467801020 929438246 /nfs/dbraw/zinc/43/82/46/929438246.db2.gz PYCFZBQAXNRMGH-SJLPKXTDSA-N -1 3 385.407 3.611 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000469220038 929705236 /nfs/dbraw/zinc/70/52/36/929705236.db2.gz VNQUACLPRSSGCT-CQSZACIVSA-N -1 3 378.394 3.527 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000469269857 929751178 /nfs/dbraw/zinc/75/11/78/929751178.db2.gz RVPCKHJFIORATK-SFHVURJKSA-N -1 3 398.478 3.523 20 0 GHADHM O=S(=O)([N-][C@@H]1CC2(CCC2)Oc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000757951423 929866871 /nfs/dbraw/zinc/86/68/71/929866871.db2.gz RAZXLAKIXWSOIN-OAHLLOKOSA-N -1 3 383.391 3.829 20 0 GHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cnc(OCc2ccccc2)cn1 ZINC000758486991 930060224 /nfs/dbraw/zinc/06/02/24/930060224.db2.gz WDNYUAIACGFKJD-UHFFFAOYSA-N -1 3 397.847 3.966 20 0 GHADHM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469661951 930064378 /nfs/dbraw/zinc/06/43/78/930064378.db2.gz PNWLIOSZBQTUJS-UHFFFAOYSA-N -1 3 384.451 3.941 20 0 GHADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000469808592 930174870 /nfs/dbraw/zinc/17/48/70/930174870.db2.gz KDMOBESRCBMLJU-UHFFFAOYSA-N -1 3 393.397 3.832 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000469822456 930184657 /nfs/dbraw/zinc/18/46/57/930184657.db2.gz QYYXLVCQCVXDNJ-PXNSSMCTSA-N -1 3 379.378 3.779 20 0 GHADHM Cc1nc(C)c(Cc2nc([C@H](C)c3ccc(Br)cc3)no2)c(=O)[n-]1 ZINC000546545752 930254795 /nfs/dbraw/zinc/25/47/95/930254795.db2.gz KBIVSHHPUWUFKC-SECBINFHSA-N -1 3 389.253 3.687 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cc1)C(C)C ZINC000759485974 930383090 /nfs/dbraw/zinc/38/30/90/930383090.db2.gz XKLDCQFCRBGUML-UHFFFAOYSA-N -1 3 398.532 3.967 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000470229597 930469377 /nfs/dbraw/zinc/46/93/77/930469377.db2.gz ZRJOJGWMAAOCMO-LLVKDONJSA-N -1 3 381.398 3.670 20 0 GHADHM CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000781492554 930498128 /nfs/dbraw/zinc/49/81/28/930498128.db2.gz PIWVICCTTZLCIW-JKSUJKDBSA-N -1 3 389.514 3.807 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780361431 930499551 /nfs/dbraw/zinc/49/95/51/930499551.db2.gz JJZGKKHQXRJWAH-KKSFZXQISA-N -1 3 392.455 3.594 20 0 GHADHM CCN(C)[C@H](C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1)c1ccccc1 ZINC000780390324 930504890 /nfs/dbraw/zinc/50/48/90/930504890.db2.gz CNFPXLZORJOPNE-FQEVSTJZSA-N -1 3 377.444 3.756 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cc(F)cc(F)c2)no1 ZINC000546990779 930592261 /nfs/dbraw/zinc/59/22/61/930592261.db2.gz DKFPXAYBAXSPKF-SECBINFHSA-N -1 3 399.806 3.708 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OCc2ccc(F)cc2Br)CCO1 ZINC000781120424 930706976 /nfs/dbraw/zinc/70/69/76/930706976.db2.gz YZPAMWVWDXDBQX-LRDDRELGSA-N -1 3 388.277 3.977 20 0 GHADHM O=C(OCc1nc(-c2ccccc2F)no1)c1cccc(Br)c1[O-] ZINC000781177600 930728830 /nfs/dbraw/zinc/72/88/30/930728830.db2.gz UPJFPZHBCONOFP-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2C1 ZINC000547317879 930912991 /nfs/dbraw/zinc/91/29/91/930912991.db2.gz RGTBQYKZZCAYBC-HNNXBMFYSA-N -1 3 386.517 3.878 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000781937211 931036280 /nfs/dbraw/zinc/03/62/80/931036280.db2.gz PPQMYYHMKHEQMD-UHFFFAOYSA-N -1 3 389.411 3.893 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccnc1SC(F)F ZINC000782098453 931089844 /nfs/dbraw/zinc/08/98/44/931089844.db2.gz SRYPQMWFOAASQH-UHFFFAOYSA-N -1 3 379.344 3.509 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782286248 931157283 /nfs/dbraw/zinc/15/72/83/931157283.db2.gz HJZMDYHHNKGTRO-UHFFFAOYSA-N -1 3 391.383 3.692 20 0 GHADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1noc(-c2ccccc2[O-])n1 ZINC000782486626 931239655 /nfs/dbraw/zinc/23/96/55/931239655.db2.gz YADOYLPRYXPISG-UHFFFAOYSA-N -1 3 392.411 3.637 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783642986 931605232 /nfs/dbraw/zinc/60/52/32/931605232.db2.gz IBISIFBEGSIVRQ-UHFFFAOYSA-N -1 3 388.807 3.996 20 0 GHADHM CCCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OCCC ZINC000783679076 931615245 /nfs/dbraw/zinc/61/52/45/931615245.db2.gz HJUCZMNNACVWAD-NBVRZTHBSA-N -1 3 380.444 3.987 20 0 GHADHM Cc1noc(C2CC2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000783806633 931662670 /nfs/dbraw/zinc/66/26/70/931662670.db2.gz PFJDFNGCPVRTBG-UHFFFAOYSA-N -1 3 388.225 3.660 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000783842097 931686830 /nfs/dbraw/zinc/68/68/30/931686830.db2.gz PPPCTTDVWCYCCN-UHFFFAOYSA-N -1 3 398.419 3.813 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000784732376 931989865 /nfs/dbraw/zinc/98/98/65/931989865.db2.gz GVTXPGSGMUYDIG-VXGBXAGGSA-N -1 3 390.317 3.706 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3C=C[C@@H](NC(=O)OC(C)(C)C)CC3)n[n-]2)o1 ZINC000796969798 932129666 /nfs/dbraw/zinc/12/96/66/932129666.db2.gz LZJWGGVKEQXXMX-KGLIPLIRSA-N -1 3 387.436 3.747 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3C=C[C@@H](NC(=O)OC(C)(C)C)CC3)[n-]n2)o1 ZINC000796969798 932129669 /nfs/dbraw/zinc/12/96/69/932129669.db2.gz LZJWGGVKEQXXMX-KGLIPLIRSA-N -1 3 387.436 3.747 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(F)c2)C1)c1cnc(Cl)c(Cl)c1 ZINC000797840051 932426239 /nfs/dbraw/zinc/42/62/39/932426239.db2.gz FKWSEPKHCMISQH-UMSPYCQHSA-N -1 3 375.252 3.752 20 0 GHADHM COC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1C ZINC000798051876 932511112 /nfs/dbraw/zinc/51/11/12/932511112.db2.gz RHYAPKSEEFYNHY-UHFFFAOYSA-N -1 3 387.342 3.545 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000798168141 932550943 /nfs/dbraw/zinc/55/09/43/932550943.db2.gz YCLMELJRCQHNON-UHFFFAOYSA-N -1 3 375.446 3.928 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)c(C)c1 ZINC000559583631 932744834 /nfs/dbraw/zinc/74/48/34/932744834.db2.gz NQEQMURPLIPLMX-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799204859 932915205 /nfs/dbraw/zinc/91/52/05/932915205.db2.gz JTNFRPXHMUJECV-UHFFFAOYSA-N -1 3 385.430 3.907 20 0 GHADHM CCc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1CC ZINC000799226039 932924927 /nfs/dbraw/zinc/92/49/27/932924927.db2.gz VBISYGXLPWZWPG-UHFFFAOYSA-N -1 3 385.430 3.734 20 0 GHADHM Cc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)sc1Br ZINC000559981302 932996173 /nfs/dbraw/zinc/99/61/73/932996173.db2.gz JZWBJFPDUCHESJ-MRXNPFEDSA-N -1 3 384.270 3.974 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c2ccccc2n1C ZINC000560005750 933014321 /nfs/dbraw/zinc/01/43/21/933014321.db2.gz HTBKPBCKJJHLPZ-UHFFFAOYSA-N -1 3 378.837 3.670 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929143145 933257144 /nfs/dbraw/zinc/25/71/44/933257144.db2.gz YURSGAVQBKHSBI-HNNXBMFYSA-N -1 3 383.496 3.829 20 0 GHADHM CC(C)[C@H](CC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001116240780 933430153 /nfs/dbraw/zinc/43/01/53/933430153.db2.gz GZDWHGMYILAHCM-INIZCTEOSA-N -1 3 392.496 3.643 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000560697221 933469641 /nfs/dbraw/zinc/46/96/41/933469641.db2.gz JYDDUPIAUPOKPZ-MAUKXSAKSA-N -1 3 383.448 3.640 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001116578051 933644195 /nfs/dbraw/zinc/64/41/95/933644195.db2.gz NYWSEPOEMOZRCS-LSDHHAIUSA-N -1 3 383.448 3.593 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001116578049 933644593 /nfs/dbraw/zinc/64/45/93/933644593.db2.gz NYWSEPOEMOZRCS-GJZGRUSLSA-N -1 3 383.448 3.593 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@]3(C(F)(F)F)CCc4ccccc43)cc2o1 ZINC001116734617 933727339 /nfs/dbraw/zinc/72/73/39/933727339.db2.gz WNWGAXLZORGDEO-KRWDZBQOSA-N -1 3 396.390 3.819 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)cc1F ZINC000561098936 933862857 /nfs/dbraw/zinc/86/28/57/933862857.db2.gz JPQSTLSQACDWOP-WBVHZDCISA-N -1 3 387.835 3.735 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nnc(CC2CCCC2)o1 ZINC001117228429 933897740 /nfs/dbraw/zinc/89/77/40/933897740.db2.gz XBTDNNKMMTVALX-INIZCTEOSA-N -1 3 395.550 3.575 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccccc1C(=O)OCc1ccccc1 ZINC001149078600 933970198 /nfs/dbraw/zinc/97/01/98/933970198.db2.gz YXFAQNRETQUGRX-UHFFFAOYSA-N -1 3 387.395 3.878 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N=c1[nH][n-]cc1Br ZINC000561315649 934047393 /nfs/dbraw/zinc/04/73/93/934047393.db2.gz QZOVVUBUQLGEJD-UHFFFAOYSA-N -1 3 399.607 3.602 20 0 GHADHM O=C(Nc1nc2c(cccc2Br)s1)c1cc(F)cc2n[n-]nc21 ZINC000561461709 934183521 /nfs/dbraw/zinc/18/35/21/934183521.db2.gz XZVBKFFFGBWSKN-UHFFFAOYSA-N -1 3 392.213 3.722 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC001121760527 934757761 /nfs/dbraw/zinc/75/77/61/934757761.db2.gz BIOXIFVPROFPTA-LRDDRELGSA-N -1 3 394.479 3.654 20 0 GHADHM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001125157634 935537738 /nfs/dbraw/zinc/53/77/38/935537738.db2.gz BXMKTXUSGCCGCD-UHFFFAOYSA-N -1 3 383.835 3.572 20 0 GHADHM Cc1ccc(SCCNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000828628604 935679798 /nfs/dbraw/zinc/67/97/98/935679798.db2.gz DDYPMRHYFBTWPB-UHFFFAOYSA-N -1 3 387.288 3.695 20 0 GHADHM CCc1c([N-]C(=O)C(F)(F)c2ccccc2NC(C)=O)onc1C(F)(F)F ZINC000828829243 935722967 /nfs/dbraw/zinc/72/29/67/935722967.db2.gz RMSMISNIFNPXSK-UHFFFAOYSA-N -1 3 391.296 3.945 20 0 GHADHM O=C(OCCC[C@@H]1CCOC1)c1n[n-]c(-c2ccccc2)c1Br ZINC000828943130 935744326 /nfs/dbraw/zinc/74/43/26/935744326.db2.gz MAWFPPCJHIHIOU-GFCCVEGCSA-N -1 3 379.254 3.813 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC(C)(C)C1 ZINC001137800840 935796273 /nfs/dbraw/zinc/79/62/73/935796273.db2.gz BGDBOJIHSFKNMY-LLVKDONJSA-N -1 3 377.282 3.799 20 0 GHADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829719373 935850978 /nfs/dbraw/zinc/85/09/78/935850978.db2.gz DRGCEHQNDTZKPR-UHFFFAOYSA-N -1 3 386.473 3.686 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1OC(C)C ZINC000829916339 935881909 /nfs/dbraw/zinc/88/19/09/935881909.db2.gz YRGTTXSPISOHBH-UHFFFAOYSA-N -1 3 377.462 3.824 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000829974719 935887036 /nfs/dbraw/zinc/88/70/36/935887036.db2.gz IMFQVNXYJMWFKP-UHFFFAOYSA-N -1 3 392.411 3.914 20 0 GHADHM O=C([N-]C1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001137955167 935890117 /nfs/dbraw/zinc/89/01/17/935890117.db2.gz KOHJHXMHHWJCJZ-UHFFFAOYSA-N -1 3 386.361 3.941 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)cc1 ZINC000830018382 935890766 /nfs/dbraw/zinc/89/07/66/935890766.db2.gz LAPFDHBEHQBQGS-UHFFFAOYSA-N -1 3 391.276 3.605 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000830239615 935919120 /nfs/dbraw/zinc/91/91/20/935919120.db2.gz VMBIZSXBCIEHMV-CQSZACIVSA-N -1 3 389.320 3.656 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1csc(NC2CCCCC2)n1 ZINC000830429964 935944492 /nfs/dbraw/zinc/94/44/92/935944492.db2.gz DBJDHZOPKONRKH-LBPRGKRZSA-N -1 3 379.511 3.843 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1NCC1CCc2ccccc2CC1 ZINC001573279250 946635751 /nfs/dbraw/zinc/63/57/51/946635751.db2.gz FHKLIVJLSALOBG-UHFFFAOYSA-N -1 3 399.296 3.631 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1NCC1CCc2ccccc2CC1 ZINC001573279250 946635758 /nfs/dbraw/zinc/63/57/58/946635758.db2.gz FHKLIVJLSALOBG-UHFFFAOYSA-N -1 3 399.296 3.631 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC001573552531 946878165 /nfs/dbraw/zinc/87/81/65/946878165.db2.gz QHSRXJUYXUGGFS-UHFFFAOYSA-N -1 3 395.850 3.684 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC001573552531 946878171 /nfs/dbraw/zinc/87/81/71/946878171.db2.gz QHSRXJUYXUGGFS-UHFFFAOYSA-N -1 3 395.850 3.684 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001573553560 946888906 /nfs/dbraw/zinc/88/89/06/946888906.db2.gz YRVRMKCHHHRFJK-NSHDSACASA-N -1 3 383.839 3.540 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001573553560 946888924 /nfs/dbraw/zinc/88/89/24/946888924.db2.gz YRVRMKCHHHRFJK-NSHDSACASA-N -1 3 383.839 3.540 20 0 GHADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)[C@H](C)C(C)(C)C ZINC001573718811 948521373 /nfs/dbraw/zinc/52/13/73/948521373.db2.gz UHOQUNZBMHDLJZ-KGLIPLIRSA-N -1 3 375.542 3.534 20 0 GHADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001573718811 948521377 /nfs/dbraw/zinc/52/13/77/948521377.db2.gz UHOQUNZBMHDLJZ-KGLIPLIRSA-N -1 3 375.542 3.534 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525059940 948539228 /nfs/dbraw/zinc/53/92/28/948539228.db2.gz NWTLLLDYTWGKBH-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525059940 948539237 /nfs/dbraw/zinc/53/92/37/948539237.db2.gz NWTLLLDYTWGKBH-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM C[C@H](C(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573754373 948742511 /nfs/dbraw/zinc/74/25/11/948742511.db2.gz FQMCRERFWAKWQP-LLVKDONJSA-N -1 3 392.337 3.901 20 0 GHADHM C[C@H](C(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573754373 948742519 /nfs/dbraw/zinc/74/25/19/948742519.db2.gz FQMCRERFWAKWQP-LLVKDONJSA-N -1 3 392.337 3.901 20 0 GHADHM C[C@H]([C@H](C)C(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573755668 948779433 /nfs/dbraw/zinc/77/94/33/948779433.db2.gz RWKOTHCYSFKQLM-WDEREUQCSA-N -1 3 395.301 3.991 20 0 GHADHM C[C@H]([C@H](C)C(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573755668 948779451 /nfs/dbraw/zinc/77/94/51/948779451.db2.gz RWKOTHCYSFKQLM-WDEREUQCSA-N -1 3 395.301 3.991 20 0 GHADHM CC(C)c1cccc(COC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC001574420188 948794196 /nfs/dbraw/zinc/79/41/96/948794196.db2.gz PHDQVVWXANWEFQ-UHFFFAOYSA-N -1 3 388.431 3.533 20 0 GHADHM CC(C)c1cccc(COC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC001574420188 948794208 /nfs/dbraw/zinc/79/42/08/948794208.db2.gz PHDQVVWXANWEFQ-UHFFFAOYSA-N -1 3 388.431 3.533 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1CCCCCCC1 ZINC001574082795 948869099 /nfs/dbraw/zinc/86/90/99/948869099.db2.gz KENDTTIDANDDLO-IBGZPJMESA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1CCCCCCC1 ZINC001574082795 948869110 /nfs/dbraw/zinc/86/91/10/948869110.db2.gz KENDTTIDANDDLO-IBGZPJMESA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cccc(C2CC2)c1 ZINC001574083021 948872744 /nfs/dbraw/zinc/87/27/44/948872744.db2.gz NXFMMRUFGLKLOL-IBGZPJMESA-N -1 3 378.432 3.753 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cccc(C2CC2)c1 ZINC001574083021 948872765 /nfs/dbraw/zinc/87/27/65/948872765.db2.gz NXFMMRUFGLKLOL-IBGZPJMESA-N -1 3 378.432 3.753 20 0 GHADHM C[C@@H](c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC001575501266 949008765 /nfs/dbraw/zinc/00/87/65/949008765.db2.gz DTPHIWQUKAPUQD-NSHDSACASA-N -1 3 375.354 3.809 20 0 GHADHM C[C@@H](c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC001575501266 949008781 /nfs/dbraw/zinc/00/87/81/949008781.db2.gz DTPHIWQUKAPUQD-NSHDSACASA-N -1 3 375.354 3.809 20 0 GHADHM C[C@@H](CCn1cccn1)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001574693805 949064157 /nfs/dbraw/zinc/06/41/57/949064157.db2.gz JRIOKNWZOUVTKN-HNNXBMFYSA-N -1 3 375.436 3.746 20 0 GHADHM C[C@@H](CCn1cccn1)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001574693805 949064169 /nfs/dbraw/zinc/06/41/69/949064169.db2.gz JRIOKNWZOUVTKN-HNNXBMFYSA-N -1 3 375.436 3.746 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001574694991 949101667 /nfs/dbraw/zinc/10/16/67/949101667.db2.gz YITWEHOHNRWBMR-INIZCTEOSA-N -1 3 391.475 3.857 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001574694991 949101678 /nfs/dbraw/zinc/10/16/78/949101678.db2.gz YITWEHOHNRWBMR-INIZCTEOSA-N -1 3 391.475 3.857 20 0 GHADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001574099168 949168401 /nfs/dbraw/zinc/16/84/01/949168401.db2.gz IQLKZCFSXXBDKE-ICSRJNTNSA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001574099168 949168413 /nfs/dbraw/zinc/16/84/13/949168413.db2.gz IQLKZCFSXXBDKE-ICSRJNTNSA-N -1 3 390.491 3.626 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3cccc(Cl)n3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576214470 950669776 /nfs/dbraw/zinc/66/97/76/950669776.db2.gz APSAESPLMZIUCH-IUCAKERBSA-N -1 3 388.884 3.915 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3cccc(Cl)n3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576214470 950669782 /nfs/dbraw/zinc/66/97/82/950669782.db2.gz APSAESPLMZIUCH-IUCAKERBSA-N -1 3 388.884 3.915 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001574519865 950697998 /nfs/dbraw/zinc/69/79/98/950697998.db2.gz JBNKHZUQFZXLNF-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001574519865 950698005 /nfs/dbraw/zinc/69/80/05/950698005.db2.gz JBNKHZUQFZXLNF-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001574520280 950720919 /nfs/dbraw/zinc/72/09/19/950720919.db2.gz OYVJOBWFTQUNJB-KSSFIOAISA-N -1 3 393.447 3.803 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001574520280 950720928 /nfs/dbraw/zinc/72/09/28/950720928.db2.gz OYVJOBWFTQUNJB-KSSFIOAISA-N -1 3 393.447 3.803 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001573881236 950749126 /nfs/dbraw/zinc/74/91/26/950749126.db2.gz ARVSRPPKGOXIAB-UHFFFAOYSA-N -1 3 396.882 3.806 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573881402 950749950 /nfs/dbraw/zinc/74/99/50/950749950.db2.gz DSWHSDHLCJSARK-JCRIEJSWSA-N -1 3 387.487 3.981 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573881402 950749966 /nfs/dbraw/zinc/74/99/66/950749966.db2.gz DSWHSDHLCJSARK-JCRIEJSWSA-N -1 3 387.487 3.981 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)C=CCOc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217901 950773880 /nfs/dbraw/zinc/77/38/80/950773880.db2.gz OVGYPJZQSULHAN-UJZCVKTISA-N -1 3 395.488 3.627 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)/C=C\COc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217901 950773896 /nfs/dbraw/zinc/77/38/96/950773896.db2.gz OVGYPJZQSULHAN-UJZCVKTISA-N -1 3 395.488 3.627 20 0 GHADHM CC(C)(C)c1cccc(CN2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001573884079 950781770 /nfs/dbraw/zinc/78/17/70/950781770.db2.gz GZLMVJQYVLSFAJ-FQEVSTJZSA-N -1 3 377.492 3.738 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccn(Cc2ccccc2)c1 ZINC001573888551 950869257 /nfs/dbraw/zinc/86/92/57/950869257.db2.gz WHPZECBQPGBFQB-UHFFFAOYSA-N -1 3 389.463 3.525 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccn(Cc2ccccc2)c1 ZINC001573888551 950869274 /nfs/dbraw/zinc/86/92/74/950869274.db2.gz WHPZECBQPGBFQB-UHFFFAOYSA-N -1 3 389.463 3.525 20 0 GHADHM C[C@H](CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1)c1ccc(F)cc1 ZINC001575164446 952294250 /nfs/dbraw/zinc/29/42/50/952294250.db2.gz LMTVIYJEPVTRBO-CYBMUJFWSA-N -1 3 391.410 3.804 20 0 GHADHM C[C@H](CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1)c1ccc(F)cc1 ZINC001575164446 952294255 /nfs/dbraw/zinc/29/42/55/952294255.db2.gz LMTVIYJEPVTRBO-CYBMUJFWSA-N -1 3 391.410 3.804 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC001575186047 952436587 /nfs/dbraw/zinc/43/65/87/952436587.db2.gz YCGDNZCKADCKKG-HUUCEWRRSA-N -1 3 397.910 3.788 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC001575186047 952436588 /nfs/dbraw/zinc/43/65/88/952436588.db2.gz YCGDNZCKADCKKG-HUUCEWRRSA-N -1 3 397.910 3.788 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001575188937 952451517 /nfs/dbraw/zinc/45/15/17/952451517.db2.gz LHDHJBGKTAIGMG-ZDUSSCGKSA-N -1 3 390.472 3.808 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001575188937 952451520 /nfs/dbraw/zinc/45/15/20/952451520.db2.gz LHDHJBGKTAIGMG-ZDUSSCGKSA-N -1 3 390.472 3.808 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001575189329 952456231 /nfs/dbraw/zinc/45/62/31/952456231.db2.gz OPUMOKUXUNRTEL-GFCCVEGCSA-N -1 3 395.850 3.761 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001575189329 952456236 /nfs/dbraw/zinc/45/62/36/952456236.db2.gz OPUMOKUXUNRTEL-GFCCVEGCSA-N -1 3 395.850 3.761 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC001575189821 952459343 /nfs/dbraw/zinc/45/93/43/952459343.db2.gz PZHXICXMSMBDJP-UTKZUKDTSA-N -1 3 391.519 3.676 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001575189821 952459346 /nfs/dbraw/zinc/45/93/46/952459346.db2.gz PZHXICXMSMBDJP-UTKZUKDTSA-N -1 3 391.519 3.676 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001340485853 957923747 /nfs/dbraw/zinc/92/37/47/957923747.db2.gz OKUFMXHNLNSZOT-VQTJNVASSA-N -1 3 389.540 3.572 20 0 GHADHM Cc1ccc(N2CCC[C@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594368366 958510605 /nfs/dbraw/zinc/51/06/05/958510605.db2.gz QPHHFLGVSSJCNM-MOPGFXCFSA-N -1 3 397.519 3.648 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccsc1CNC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588727245 961078685 /nfs/dbraw/zinc/07/86/85/961078685.db2.gz KZDKGFCYZVNVMP-FWHMADFJSA-N -1 3 396.509 3.597 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001574398419 961224408 /nfs/dbraw/zinc/22/44/08/961224408.db2.gz NUJMWSYFUUNVIH-UHFFFAOYSA-N -1 3 383.492 3.608 20 0 GHADHM CCN(CCCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1 ZINC001573881752 961283997 /nfs/dbraw/zinc/28/39/97/961283997.db2.gz WVUVKGQLPVKQTP-SFHVURJKSA-N -1 3 385.508 3.587 20 0 GHADHM O=C(CCCC1CCCCC1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001345729979 962275480 /nfs/dbraw/zinc/27/54/80/962275480.db2.gz RTUGNHVFDNUJHM-HSZRJFAPSA-N -1 3 386.536 3.973 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])N2CCCC2)cc1 ZINC001341355117 969751445 /nfs/dbraw/zinc/75/14/45/969751445.db2.gz YQAAZCCRSPPZPV-UXHICEINSA-N -1 3 387.524 3.561 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000397979076 973046952 /nfs/dbraw/zinc/04/69/52/973046952.db2.gz LNUXEXCVCSBNEV-BBRMVZONSA-N -1 3 387.867 3.823 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001625803890 1014188439 /nfs/dbraw/zinc/18/84/39/1014188439.db2.gz HAJNYLWIXNMDFS-UHFFFAOYSA-N -1 3 389.864 3.734 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@@H]1Oc1ccccc1 ZINC001625824212 1014208128 /nfs/dbraw/zinc/20/81/28/1014208128.db2.gz XQJFKSKLNPKGJV-JZXOWHBKSA-N -1 3 397.368 3.798 20 0 GHADHM CCC1(CC)CCc2nc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)sc2C1 ZINC001625847062 1014226517 /nfs/dbraw/zinc/22/65/17/1014226517.db2.gz OXHKEXWRROWYEL-UHFFFAOYSA-N -1 3 393.538 3.544 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591871385 976209081 /nfs/dbraw/zinc/20/90/81/976209081.db2.gz AIAQTVBMFUKARA-AKIFATBCSA-N -1 3 394.515 3.663 20 0 GHADHM CC(C)[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001592268870 977525832 /nfs/dbraw/zinc/52/58/32/977525832.db2.gz KNXYFFCKDMWFPB-VBKZILBWSA-N -1 3 394.475 3.965 20 0 GHADHM C[C@@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccccc1Br ZINC001592709851 979195965 /nfs/dbraw/zinc/19/59/65/979195965.db2.gz PFOQKOCSLWGWMQ-NSHDSACASA-N -1 3 382.229 3.844 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1)C(=O)[O-] ZINC001592866164 979710297 /nfs/dbraw/zinc/71/02/97/979710297.db2.gz IINDQTXTVSCUAE-UTKZUKDTSA-N -1 3 395.503 3.736 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1)C(=O)[O-] ZINC001592868492 979720677 /nfs/dbraw/zinc/72/06/77/979720677.db2.gz YRUCWBGVXVNJDO-UTKZUKDTSA-N -1 3 395.503 3.908 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(Br)cnc1OC ZINC001595361458 980762697 /nfs/dbraw/zinc/76/26/97/980762697.db2.gz YAQCHBXDEXSHQL-MRXNPFEDSA-N -1 3 393.281 3.891 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000903907110 981031870 /nfs/dbraw/zinc/03/18/70/981031870.db2.gz REJKJYHFARMXGT-PBHICJAKSA-N -1 3 382.298 3.928 20 0 GHADHM Cn1c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nnc1-c1cccs1 ZINC000041649816 1014864764 /nfs/dbraw/zinc/86/47/64/1014864764.db2.gz RHEZPVQLPACFRL-UHFFFAOYSA-N -1 3 381.486 3.586 20 0 GHADHM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001596164207 983526502 /nfs/dbraw/zinc/52/65/02/983526502.db2.gz HHPDHGPASAYOMT-MGPUTAFESA-N -1 3 384.451 3.822 20 0 GHADHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596237660 983636721 /nfs/dbraw/zinc/63/67/21/983636721.db2.gz QIZMVNIVCVKLLK-LJQANCHMSA-N -1 3 388.895 3.608 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccsc1 ZINC001596254246 983661768 /nfs/dbraw/zinc/66/17/68/983661768.db2.gz GGABJXHAZDQFKN-MRXNPFEDSA-N -1 3 379.457 3.790 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1C ZINC001596691872 984807057 /nfs/dbraw/zinc/80/70/57/984807057.db2.gz OMJPBZDFWUMGIE-INIZCTEOSA-N -1 3 398.381 3.743 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC000544838668 1015084468 /nfs/dbraw/zinc/08/44/68/1015084468.db2.gz DUXUTJAFELMYFM-QGZVFWFLSA-N -1 3 383.391 3.572 20 0 GHADHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)C1 ZINC000467985000 1015101260 /nfs/dbraw/zinc/10/12/60/1015101260.db2.gz RFOLIOCLZGWHMF-CYBMUJFWSA-N -1 3 383.477 3.677 20 0 GHADHM CC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC12CCCCC2 ZINC001589081115 985248380 /nfs/dbraw/zinc/24/83/80/985248380.db2.gz MQPZDEYDKYCMML-QGZVFWFLSA-N -1 3 398.425 3.698 20 0 GHADHM CC(=O)Nc1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C2 ZINC001589216233 985714681 /nfs/dbraw/zinc/71/46/81/985714681.db2.gz TVMKPZYSUYXYOQ-SFHVURJKSA-N -1 3 392.377 3.848 20 0 GHADHM CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C)CC(C)(C)CC(=O)[O-] ZINC001597042661 986494906 /nfs/dbraw/zinc/49/49/06/986494906.db2.gz YNSWNMQJPORXRS-MRXNPFEDSA-N -1 3 377.529 3.529 20 0 GHADHM C[C@@H]1Cc2cc(CNCc3ccc(C(=O)[O-])c(Br)c3)ccc2O1 ZINC001594616454 986636496 /nfs/dbraw/zinc/63/64/96/986636496.db2.gz VVWNYGJFIVLOQS-LLVKDONJSA-N -1 3 376.250 3.761 20 0 GHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1F ZINC001597100824 986708696 /nfs/dbraw/zinc/70/86/96/986708696.db2.gz ITQXSDMPNRMJNC-MRXNPFEDSA-N -1 3 382.229 3.902 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001589510522 987136721 /nfs/dbraw/zinc/13/67/21/987136721.db2.gz VHPJWLDJTNLUTG-KSFYIVLOSA-N -1 3 381.476 3.661 20 0 GHADHM C[C@H](C(=O)c1c[nH]c2ncccc12)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589553775 987293909 /nfs/dbraw/zinc/29/39/09/987293909.db2.gz QTCOGLNHCZYHOS-OCBCSQNSSA-N -1 3 397.862 3.588 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1 ZINC001589600946 987423960 /nfs/dbraw/zinc/42/39/60/987423960.db2.gz BACZAAYODPDGIZ-IBGZPJMESA-N -1 3 377.444 3.791 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CN1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745387 988037990 /nfs/dbraw/zinc/03/79/90/988037990.db2.gz IBDBADYEKJZNPI-LAUBAEHRSA-N -1 3 378.488 3.606 20 0 GHADHM CSc1ccc([C@H](CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)N(C)C)cc1 ZINC001599811637 988346445 /nfs/dbraw/zinc/34/64/45/988346445.db2.gz IQSSAYZPQMQJJF-SFHVURJKSA-N -1 3 387.505 3.840 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)c3cccs3)no2)ccc1F ZINC000545026437 1015381140 /nfs/dbraw/zinc/38/11/40/1015381140.db2.gz KWPNYBQDENFBSV-NSHDSACASA-N -1 3 395.481 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1ccccc1Cl ZINC001590003766 988934535 /nfs/dbraw/zinc/93/45/35/988934535.db2.gz GLMSDDJVODNDFX-KEYYUXOJSA-N -1 3 394.899 3.940 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001597762656 989199062 /nfs/dbraw/zinc/19/90/62/989199062.db2.gz IHZRXUKYJZFCRX-UKRRQHHQSA-N -1 3 380.485 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@]2(C)CN(Cc3ccsc3C(=O)[O-])C[C@@]2(C)C1 ZINC001590099317 989239154 /nfs/dbraw/zinc/23/91/54/989239154.db2.gz RFOBLRXLSPKBMM-KDURUIRLSA-N -1 3 380.510 3.525 20 0 GHADHM CCc1oc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597798385 989366696 /nfs/dbraw/zinc/36/66/96/989366696.db2.gz CKFCENWMJOHXCA-CQSZACIVSA-N -1 3 380.485 3.667 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001590184719 989534197 /nfs/dbraw/zinc/53/41/97/989534197.db2.gz KLQIYLNVADLCLD-AWEZNQCLSA-N -1 3 380.460 3.651 20 0 GHADHM CN(C)C[C@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccc(F)cc1 ZINC001598203565 990830471 /nfs/dbraw/zinc/83/04/71/990830471.db2.gz YKHUIMJMKYIZQA-KRWDZBQOSA-N -1 3 395.272 3.679 20 0 GHADHM CC(C)[C@@H](O)[C@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1 ZINC001591035685 991355099 /nfs/dbraw/zinc/35/50/99/991355099.db2.gz FGZSSUZNQALYDW-QZTJIDSGSA-N -1 3 392.293 3.995 20 0 GHADHM CC(C)[C@H]1N(Cc2ccc(C(=O)[O-])cc2Br)CC12CCOCC2 ZINC001591099751 991714685 /nfs/dbraw/zinc/71/46/85/991714685.db2.gz ODISMWYCMNVZAY-MRXNPFEDSA-N -1 3 382.298 3.784 20 0 GHADHM COc1nsc(CN2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)c1C(=O)[O-] ZINC001599740239 991837758 /nfs/dbraw/zinc/83/77/58/991837758.db2.gz KYKOMLYNEPODRR-CQSZACIVSA-N -1 3 398.488 3.620 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)/C=C/c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001591483391 992602980 /nfs/dbraw/zinc/60/29/80/992602980.db2.gz CPFXTTMRAUWBKL-SQUSKLHYSA-N -1 3 384.476 3.609 20 0 GHADHM C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593208755 994229703 /nfs/dbraw/zinc/22/97/03/994229703.db2.gz FTOBRIVTSGNDKQ-UNLTUULFSA-N -1 3 396.871 3.861 20 0 GHADHM C[C@H](NCC1(c2ccccc2Cl)CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001593250874 994489494 /nfs/dbraw/zinc/48/94/94/994489494.db2.gz AYHJVTLCUSBMCM-LBPRGKRZSA-N -1 3 380.897 3.894 20 0 GHADHM COc1cccc([C@@H](C)N2CCN(Cc3c4ccccc4[nH]c3C(=O)[O-])CC2)c1 ZINC001599655731 994576076 /nfs/dbraw/zinc/57/60/76/994576076.db2.gz YGFUGWBIBOAOIR-MRXNPFEDSA-N -1 3 393.487 3.754 20 0 GHADHM COc1cccc([C@H](N[C@H](c2cncc(Br)c2)C2CC2)C(=O)[O-])c1 ZINC001599658215 994614759 /nfs/dbraw/zinc/61/47/59/994614759.db2.gz TVXXFNQNKCYVGU-IRXDYDNUSA-N -1 3 391.265 3.719 20 0 GHADHM C[C@](NCCOC(=O)Cc1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593273007 994616656 /nfs/dbraw/zinc/61/66/56/994616656.db2.gz VQCKQVXCDLTABH-LJQANCHMSA-N -1 3 396.270 3.669 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC000545469955 1015907387 /nfs/dbraw/zinc/90/73/87/1015907387.db2.gz CQIGBJWVTATSTB-QGZVFWFLSA-N -1 3 383.391 3.572 20 0 GHADHM C[C@H](Oc1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1)C(=O)[O-] ZINC001593617282 995850605 /nfs/dbraw/zinc/85/06/05/995850605.db2.gz FCDIANRYVUEQRY-HNNXBMFYSA-N -1 3 385.460 3.784 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001593698433 996164607 /nfs/dbraw/zinc/16/46/07/996164607.db2.gz KHTJCSNQJXFGFR-CXAGYDPISA-N -1 3 397.393 3.836 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)ccc1F ZINC000545541873 1016013208 /nfs/dbraw/zinc/01/32/08/1016013208.db2.gz NAZCKUYAQJQQLT-UHFFFAOYSA-N -1 3 393.415 3.759 20 0 GHADHM COc1ccc([C@@H](C)NCc2ccccc2CC(=O)[O-])cc1Br ZINC001599507794 997241179 /nfs/dbraw/zinc/24/11/79/997241179.db2.gz AMRPXTKAGMIAIR-GFCCVEGCSA-N -1 3 378.266 3.936 20 0 GHADHM COc1ccc([C@@H](Cc2ccncc2)NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001599515675 997381638 /nfs/dbraw/zinc/38/16/38/997381638.db2.gz DOJUPLLKIMKUBM-OAQYLSRUSA-N -1 3 379.460 3.509 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594022306 997548206 /nfs/dbraw/zinc/54/82/06/997548206.db2.gz XPFMPIIMLDJKNH-DNVCBOLYSA-N -1 3 382.888 3.702 20 0 GHADHM CO[C@@H]1CCC[C@H]([C@H](NCc2csc(Nc3ccccc3)n2)C(=O)[O-])C1 ZINC001599114385 997626468 /nfs/dbraw/zinc/62/64/68/997626468.db2.gz UDSVKRSLGABKMI-XKQJLSEDSA-N -1 3 375.494 3.635 20 0 GHADHM CO[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)C1 ZINC001599123710 997792001 /nfs/dbraw/zinc/79/20/01/997792001.db2.gz NMEYKUHDTUIENZ-RISCZKNCSA-N -1 3 398.290 3.877 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)Cc2nc(=O)c3c4ccccc4sc3[n-]2)cc1 ZINC000468880165 1016156467 /nfs/dbraw/zinc/15/64/67/1016156467.db2.gz HFDMRCJQJOWFBQ-GFCCVEGCSA-N -1 3 393.468 3.979 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)NCCOc1ccccc1C(=O)[O-] ZINC001599347178 998029101 /nfs/dbraw/zinc/02/91/01/998029101.db2.gz CQMVMEGDPMDNGP-LBPRGKRZSA-N -1 3 394.265 3.886 20 0 GHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)O1 ZINC001594099639 998097938 /nfs/dbraw/zinc/09/79/38/998097938.db2.gz FWWOPQHVMYQWOL-NRFANRHFSA-N -1 3 393.483 3.785 20 0 GHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])no2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001599558679 998145900 /nfs/dbraw/zinc/14/59/00/998145900.db2.gz NBHUPZLYETURHT-KDOFPFPSSA-N -1 3 388.464 3.971 20 0 GHADHM CCOc1c(Cl)cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000468947323 1016257247 /nfs/dbraw/zinc/25/72/47/1016257247.db2.gz JRVVKWKPBIHHRZ-UHFFFAOYSA-N -1 3 379.199 3.528 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594292878 999130002 /nfs/dbraw/zinc/13/00/02/999130002.db2.gz OCJXCAGNYAQFII-UMVBOHGHSA-N -1 3 376.522 3.917 20 0 GHADHM CO[C@H](CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000469028830 1016353153 /nfs/dbraw/zinc/35/31/53/1016353153.db2.gz QRVLEXRGWDXKDF-LLVKDONJSA-N -1 3 387.832 3.800 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000469813163 1016625107 /nfs/dbraw/zinc/62/51/07/1016625107.db2.gz BFKIGMPHIDFQMI-AWEZNQCLSA-N -1 3 399.388 3.933 20 0 GHADHM CC(C)c1ncc(C[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC001259061786 1044942657 /nfs/dbraw/zinc/94/26/57/1044942657.db2.gz YGNVRUFFIQNFKH-UHFFFAOYSA-N -1 3 381.342 3.569 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)NCCC(C(F)(F)F)C(F)(F)F)c2c1 ZINC001154517625 1032157711 /nfs/dbraw/zinc/15/77/11/1032157711.db2.gz KFUOLZUGDLIGMR-UHFFFAOYSA-N -1 3 396.287 3.810 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1cccnc1Cl ZINC000316650861 1032227382 /nfs/dbraw/zinc/22/73/82/1032227382.db2.gz PWNXCYGPOQQIMF-NSHDSACASA-N -1 3 375.302 3.904 20 0 GHADHM Cn1c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc2cc(C(F)(F)F)ccc21 ZINC001154797297 1032288981 /nfs/dbraw/zinc/28/89/81/1032288981.db2.gz NJPJYXWCGVVUDN-UHFFFAOYSA-N -1 3 390.365 3.500 20 0 GHADHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1c([O-])cc(Br)cc1F ZINC001227586609 1032474866 /nfs/dbraw/zinc/47/48/66/1032474866.db2.gz BTHHQKOFGMNVPI-AWEZNQCLSA-N -1 3 397.244 3.635 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001155385855 1032527107 /nfs/dbraw/zinc/52/71/07/1032527107.db2.gz WCCHLMRZNGZSRL-QFIPXVFZSA-N -1 3 388.508 3.954 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cccc21 ZINC000561695573 1017922675 /nfs/dbraw/zinc/92/26/75/1017922675.db2.gz QENNBHYOFJNGQV-MRXNPFEDSA-N -1 3 382.432 3.810 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000931620821 1018013839 /nfs/dbraw/zinc/01/38/39/1018013839.db2.gz QFMHOLLBQODBQY-CVEARBPZSA-N -1 3 387.505 3.976 20 0 GHADHM C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000778050578 1018089318 /nfs/dbraw/zinc/08/93/18/1018089318.db2.gz ZJHVYVROCPQZCN-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc(F)ccc1Cl ZINC000562462469 1018178172 /nfs/dbraw/zinc/17/81/72/1018178172.db2.gz MIELMOCJNLLNSX-YPMHNXCESA-N -1 3 391.798 3.915 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000562520454 1018261704 /nfs/dbraw/zinc/26/17/04/1018261704.db2.gz WALIPRYDNSRUHC-AWEZNQCLSA-N -1 3 380.473 3.838 20 0 GHADHM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563819504 1018965324 /nfs/dbraw/zinc/96/53/24/1018965324.db2.gz MHKVYVQGTXVSGF-LLVKDONJSA-N -1 3 379.382 3.782 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1nnc(C2CC2)n1C1CC1 ZINC000935365483 1018992452 /nfs/dbraw/zinc/99/24/52/1018992452.db2.gz IDPFGWBNBYMGOL-UHFFFAOYSA-N -1 3 396.825 3.561 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCN(c2cc(C)nc(Cl)n2)C1 ZINC001228134441 1032801946 /nfs/dbraw/zinc/80/19/46/1032801946.db2.gz QTCYPOVOMDLTTP-CQSZACIVSA-N -1 3 389.883 3.957 20 0 GHADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001155950987 1032809002 /nfs/dbraw/zinc/80/90/02/1032809002.db2.gz OIPYHNIVZJNTOE-MAUKXSAKSA-N -1 3 382.847 3.866 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000567285745 1019278774 /nfs/dbraw/zinc/27/87/74/1019278774.db2.gz IUVUEBSSCPEVSL-UHFFFAOYSA-N -1 3 384.701 3.778 20 0 GHADHM O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1cc([O-])ccc1Cl ZINC000574343498 1019867114 /nfs/dbraw/zinc/86/71/14/1019867114.db2.gz IGNQAJXHGIQGPX-UHFFFAOYSA-N -1 3 378.819 3.931 20 0 GHADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000574354614 1019868258 /nfs/dbraw/zinc/86/82/58/1019868258.db2.gz ZKZXYYIBQBCXSW-RFAUZJTJSA-N -1 3 375.343 3.645 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC000576469029 1020017108 /nfs/dbraw/zinc/01/71/08/1020017108.db2.gz MMONUFDHIADQAU-SFHVURJKSA-N -1 3 382.382 3.834 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N(C)Cc1ccccc1 ZINC000600770671 1020245488 /nfs/dbraw/zinc/24/54/88/1020245488.db2.gz LTYATVFXCRVCMH-NSHDSACASA-N -1 3 393.361 3.854 20 0 GHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)N[N-]C(=O)c1ccccc1F ZINC000048185217 1020273451 /nfs/dbraw/zinc/27/34/51/1020273451.db2.gz WBZURTREIIMRGO-SNVBAGLBSA-N -1 3 397.269 3.530 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)n1 ZINC001276466501 1032903883 /nfs/dbraw/zinc/90/38/83/1032903883.db2.gz QGOCZGDIWSXNNP-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)CCC1(C)C ZINC000628532448 1020708268 /nfs/dbraw/zinc/70/82/68/1020708268.db2.gz LWTDZIVBYRDBCY-UHFFFAOYSA-N -1 3 382.508 3.500 20 0 GHADHM COc1cc(OC)c(C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)c(OC)c1 ZINC000628573445 1020710314 /nfs/dbraw/zinc/71/03/14/1020710314.db2.gz UMAHDVSRXNMQNM-UHFFFAOYSA-N -1 3 385.460 3.746 20 0 GHADHM CN1CCC[C@@H](CNc2ncc(C(=O)[O-])s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000630459094 1020824538 /nfs/dbraw/zinc/82/45/38/1020824538.db2.gz YNCKQVSIOVMLHL-SWLSCSKDSA-N -1 3 399.438 3.777 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2cscc2Cl)cc1F)N1CCCC1 ZINC000634665282 1020955300 /nfs/dbraw/zinc/95/53/00/1020955300.db2.gz BLUHZRZHCJRMJF-UHFFFAOYSA-N -1 3 388.873 3.577 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001156286135 1032958271 /nfs/dbraw/zinc/95/82/71/1032958271.db2.gz ZDXKYLKCUWJXEK-SNVBAGLBSA-N -1 3 382.226 3.513 20 0 GHADHM O=C(Nc1ccc(OC(F)F)cc1F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001626156232 1021292904 /nfs/dbraw/zinc/29/29/04/1021292904.db2.gz PQBFSMSBTPZROD-UHFFFAOYSA-N -1 3 384.260 3.799 20 0 GHADHM C/C(=C\C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC001140272125 1021296932 /nfs/dbraw/zinc/29/69/32/1021296932.db2.gz NXOGQBLMAYBOEW-XMNZZIDVSA-N -1 3 387.867 3.623 20 0 GHADHM CC(C)[C@H]1C[C@@](NCc2cccc(C(=O)N(C)C)c2)(C(=O)[O-])c2ccccc21 ZINC000900035614 1021297571 /nfs/dbraw/zinc/29/75/71/1021297571.db2.gz JLIZFDVVZOTPRE-XXBNENTESA-N -1 3 380.488 3.601 20 0 GHADHM COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000834608989 1021309424 /nfs/dbraw/zinc/30/94/24/1021309424.db2.gz PUDHUFMNYLLQQU-ZDUSSCGKSA-N -1 3 388.851 3.545 20 0 GHADHM Cc1ccc(CN(C(=O)CO[N-]C(=O)CCCc2ccccc2)C2CC2)cc1 ZINC000749135855 1021755261 /nfs/dbraw/zinc/75/52/61/1021755261.db2.gz RTZKAGRPSCSJTM-UHFFFAOYSA-N -1 3 380.488 3.557 20 0 GHADHM Cc1[nH]c(CN(C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001140500049 1021874124 /nfs/dbraw/zinc/87/41/24/1021874124.db2.gz WSEVTZIZGYGNSY-HNNXBMFYSA-N -1 3 379.501 3.550 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC001228621524 1033012292 /nfs/dbraw/zinc/01/22/92/1033012292.db2.gz BOMPYDCEUONKFS-JGGQBBKZSA-N -1 3 387.432 3.726 20 0 GHADHM O=C1CN(Cc2cccc([O-])c2Br)CCN1c1cccc(Cl)c1 ZINC001140552502 1021956073 /nfs/dbraw/zinc/95/60/73/1021956073.db2.gz HWBUEXICKIYZIX-UHFFFAOYSA-N -1 3 395.684 3.657 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2n[n-]c(-c3ccncc3)n2)cc1 ZINC001228698234 1033053144 /nfs/dbraw/zinc/05/31/44/1033053144.db2.gz USVOPHRJUHZBBO-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000754269927 1022572500 /nfs/dbraw/zinc/57/25/00/1022572500.db2.gz RFNSXKWAMQVTJG-VURMDHGXSA-N -1 3 385.308 3.979 20 0 GHADHM Cc1occc1-c1nnc(SCc2nc(C)cc(=O)[n-]2)n1-c1ccccc1 ZINC000754449144 1022711803 /nfs/dbraw/zinc/71/18/03/1022711803.db2.gz CBHMJFXVQQEONG-UHFFFAOYSA-N -1 3 379.445 3.932 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140891449 1022812781 /nfs/dbraw/zinc/81/27/81/1022812781.db2.gz YFZLXZYWONJIBP-QFIPXVFZSA-N -1 3 384.426 3.571 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1F ZINC001140988924 1023094418 /nfs/dbraw/zinc/09/44/18/1023094418.db2.gz QWGRXEAORJBLLQ-RXVVDRJESA-N -1 3 390.430 3.516 20 0 GHADHM Cc1cccc(N2C(C)=C(C(=O)N(C)C)[C@H](c3ccc([O-])c(F)c3)NC2=S)c1 ZINC000755876709 1023415292 /nfs/dbraw/zinc/41/52/92/1023415292.db2.gz NUSPHDGCCQKWHH-IBGZPJMESA-N -1 3 399.491 3.638 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)[C@@H](F)CC1 ZINC001228857674 1033139285 /nfs/dbraw/zinc/13/92/85/1033139285.db2.gz NGRDTUSZWNVFHN-WMLDXEAASA-N -1 3 379.428 3.638 20 0 GHADHM Cc1cccc([C@H](NCc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])c1C ZINC000756383723 1023621798 /nfs/dbraw/zinc/62/17/98/1023621798.db2.gz NCBZBVBKHCIRFL-SFHVURJKSA-N -1 3 385.464 3.961 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2C1 ZINC000830549667 1023981368 /nfs/dbraw/zinc/98/13/68/1023981368.db2.gz OLIDUFNARALPSN-UHFFFAOYSA-N -1 3 386.423 3.712 20 0 GHADHM O=C(CCC[C@@H](O)c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000830564204 1023985622 /nfs/dbraw/zinc/98/56/22/1023985622.db2.gz CTVAZYGNMWZRCP-MRXNPFEDSA-N -1 3 378.266 3.675 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000837120350 1024077127 /nfs/dbraw/zinc/07/71/27/1024077127.db2.gz FTKBTMCTWRZMTG-PBHICJAKSA-N -1 3 384.476 3.969 20 0 GHADHM O=C(C[C@H](n1cccn1)C(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000830753170 1024132032 /nfs/dbraw/zinc/13/20/32/1024132032.db2.gz KBJNOHGWRMTMBU-LBPRGKRZSA-N -1 3 381.276 3.643 20 0 GHADHM CC(C)(C)OC(=O)N(CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000837583902 1024567195 /nfs/dbraw/zinc/56/71/95/1024567195.db2.gz SNJOJJISTCETQL-UHFFFAOYSA-N -1 3 399.447 3.545 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837598214 1024575262 /nfs/dbraw/zinc/57/52/62/1024575262.db2.gz NQIDFWRDNYPXAQ-UHFFFAOYSA-N -1 3 399.447 3.693 20 0 GHADHM CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccccc1[O-] ZINC001138378369 1024745218 /nfs/dbraw/zinc/74/52/18/1024745218.db2.gz MPTPLWLVCBHYAF-INIZCTEOSA-N -1 3 392.293 3.922 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc4c(c3)NCC4)nc(=O)c2c1C ZINC000838217889 1024997708 /nfs/dbraw/zinc/99/77/08/1024997708.db2.gz KCMGMZMBTWKADA-NSHDSACASA-N -1 3 383.473 3.829 20 0 GHADHM COc1ccc2nc([C@H](C)NC(=O)c3ccc(Br)cc3[O-])[nH]c2c1 ZINC001138589235 1025072672 /nfs/dbraw/zinc/07/26/72/1025072672.db2.gz QNFNVXFRQQSNBL-VIFPVBQESA-N -1 3 390.237 3.531 20 0 GHADHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([O-])c1Br ZINC000838861412 1025401639 /nfs/dbraw/zinc/40/16/39/1025401639.db2.gz GHZGEEWVTHOLCQ-QWHCGFSZSA-N -1 3 399.329 3.890 20 0 GHADHM COc1ccc(C)cc1NC(=O)Nc1ccc([O-])c(I)c1 ZINC001202870174 1025483420 /nfs/dbraw/zinc/48/34/20/1025483420.db2.gz RTCNLGRTRYBFJL-UHFFFAOYSA-N -1 3 398.200 3.958 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(C)C ZINC001141562561 1025551444 /nfs/dbraw/zinc/55/14/44/1025551444.db2.gz VWHMSGIUWNZRHA-INIZCTEOSA-N -1 3 377.282 3.797 20 0 GHADHM CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000839380315 1025859946 /nfs/dbraw/zinc/85/99/46/1025859946.db2.gz YWTBBOGTHBRLGE-LBPRGKRZSA-N -1 3 396.871 3.904 20 0 GHADHM O=C([O-])COc1ccc(Br)cc1CN1CCC2(CC(F)C2)CC1 ZINC001139238087 1026088052 /nfs/dbraw/zinc/08/80/52/1026088052.db2.gz XPCXOXCKNHDUGZ-UHFFFAOYSA-N -1 3 386.261 3.627 20 0 GHADHM CON(Cc1ccc(Cl)cc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001141665703 1026190440 /nfs/dbraw/zinc/19/04/40/1026190440.db2.gz KRHLLRSGDCSOCZ-UHFFFAOYSA-N -1 3 378.762 3.664 20 0 GHADHM CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)cc1 ZINC001202927255 1026244182 /nfs/dbraw/zinc/24/41/82/1026244182.db2.gz YOTFLWAKDGKLEI-INIZCTEOSA-N -1 3 375.469 3.858 20 0 GHADHM Cc1ccc2ccnc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)c2c1 ZINC001163952585 1026370676 /nfs/dbraw/zinc/37/06/76/1026370676.db2.gz SPLBZKJOQRAMNN-UHFFFAOYSA-N -1 3 399.454 3.568 20 0 GHADHM CCCOc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(OC2CCCC2)c1 ZINC001164322315 1026484556 /nfs/dbraw/zinc/48/45/56/1026484556.db2.gz OEHCXMHIYQPIOC-HNNXBMFYSA-N -1 3 399.491 3.855 20 0 GHADHM CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001164323441 1026485784 /nfs/dbraw/zinc/48/57/84/1026485784.db2.gz XHGGVOHMPMDEKO-LJQANCHMSA-N -1 3 390.487 3.772 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001165639157 1026782192 /nfs/dbraw/zinc/78/21/92/1026782192.db2.gz PLBZJUYBFFXKDK-OAHLLOKOSA-N -1 3 396.281 3.941 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)cc1 ZINC001166214451 1026944039 /nfs/dbraw/zinc/94/40/39/1026944039.db2.gz BRVQJNCQRLEFOZ-HXUWFJFHSA-N -1 3 375.428 3.588 20 0 GHADHM CC(=O)Nc1cc(Cl)c([N-]C(=O)c2ncoc2-c2ccon2)c(Cl)c1 ZINC001461177117 1069428070 /nfs/dbraw/zinc/42/80/70/1069428070.db2.gz CDKOPKCOJLDXPJ-UHFFFAOYSA-N -1 3 381.175 3.847 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2F)s1 ZINC001209852484 1027244718 /nfs/dbraw/zinc/24/47/18/1027244718.db2.gz BBEIDJLLNVSLSI-MRXNPFEDSA-N -1 3 392.477 3.553 20 0 GHADHM C=Cc1ccccc1Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1[O-] ZINC001209942469 1027289257 /nfs/dbraw/zinc/28/92/57/1027289257.db2.gz FUVVIEXMNPWKDN-UHFFFAOYSA-N -1 3 382.441 3.899 20 0 GHADHM O=S(=O)(CCC1CCCC1)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001210032466 1027322655 /nfs/dbraw/zinc/32/26/55/1027322655.db2.gz ZSZWCHRIUSMCLW-OAHLLOKOSA-N -1 3 399.862 3.590 20 0 GHADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000840470095 1027557529 /nfs/dbraw/zinc/55/75/29/1027557529.db2.gz LLZWQCXMXJRXKT-NRFANRHFSA-N -1 3 378.472 3.817 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(-c2cccnc2)c1)OCC ZINC001211143125 1027809350 /nfs/dbraw/zinc/80/93/50/1027809350.db2.gz AWTFMLIEOBJKKJ-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@@H](O)C(F)(F)F ZINC001211388836 1027937947 /nfs/dbraw/zinc/93/79/47/1027937947.db2.gz XYCUVYGKBYLYIU-JOYOIKCWSA-N -1 3 394.242 3.590 20 0 GHADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000840913648 1027948767 /nfs/dbraw/zinc/94/87/67/1027948767.db2.gz ZNKFCBFLKKXJMW-UHFFFAOYSA-N -1 3 398.525 3.541 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001211454087 1027967846 /nfs/dbraw/zinc/96/78/46/1027967846.db2.gz ZTRXEXUQPWHAJR-CYBMUJFWSA-N -1 3 383.872 3.886 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000840998735 1028030690 /nfs/dbraw/zinc/03/06/90/1028030690.db2.gz PRMDLWMRYJMEIG-SFHVURJKSA-N -1 3 382.291 3.843 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN1Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC001213192941 1028037473 /nfs/dbraw/zinc/03/74/73/1028037473.db2.gz WPIZPLNQSWQNIE-OAHLLOKOSA-N -1 3 385.316 3.546 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN1Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC001213192940 1028038029 /nfs/dbraw/zinc/03/80/29/1028038029.db2.gz WPIZPLNQSWQNIE-HNNXBMFYSA-N -1 3 385.316 3.546 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccns2)c(Br)c1 ZINC001213304175 1028097976 /nfs/dbraw/zinc/09/79/76/1028097976.db2.gz PGBUHOAUNFLYJW-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4c(Cl)cc([O-])cc4Cl)C[C@H]3O2)n1 ZINC001142109095 1028127271 /nfs/dbraw/zinc/12/72/71/1028127271.db2.gz IKPRFBZJJPVRGZ-CIISACIHSA-N -1 3 384.263 3.743 20 0 GHADHM COCCN1CCN(Cc2c(Cl)cc([O-])cc2Cl)Cc2cccnc21 ZINC001142111210 1028139412 /nfs/dbraw/zinc/13/94/12/1028139412.db2.gz DFIKQOUKDUTUDX-UHFFFAOYSA-N -1 3 382.291 3.563 20 0 GHADHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@H]21 ZINC001142111780 1028142302 /nfs/dbraw/zinc/14/23/02/1028142302.db2.gz YHSNWROQZDEMNL-MEDUHNTESA-N -1 3 381.259 3.639 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)CC12CCC(CC1)CC2 ZINC001213573563 1028273954 /nfs/dbraw/zinc/27/39/54/1028273954.db2.gz WEUOAFNLEMXPMU-UHFFFAOYSA-N -1 3 384.567 3.647 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3csc4ccccc43)c2C1 ZINC001213581798 1028278552 /nfs/dbraw/zinc/27/85/52/1028278552.db2.gz DHUAXJZAPJEBTG-UHFFFAOYSA-N -1 3 376.503 3.883 20 0 GHADHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2occc2Br)s1 ZINC001213618976 1028297078 /nfs/dbraw/zinc/29/70/78/1028297078.db2.gz ILOGDPSDSKNCGF-UHFFFAOYSA-N -1 3 378.313 3.880 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC12CCCCC2)c1cnc(-c2ccccc2)s1 ZINC001213928871 1028455347 /nfs/dbraw/zinc/45/53/47/1028455347.db2.gz FQPMLILSNFYAHQ-OAHLLOKOSA-N -1 3 378.519 3.580 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3OC)no2)[n-]1 ZINC001213976889 1028484996 /nfs/dbraw/zinc/48/49/96/1028484996.db2.gz AEXCDEGNFKSUJY-UHFFFAOYSA-N -1 3 381.310 3.936 20 0 GHADHM CCOC(=O)COc1cc(Nc2c(Cl)ccc([O-])c2F)ccc1C(=O)OC ZINC001214564457 1028794470 /nfs/dbraw/zinc/79/44/70/1028794470.db2.gz CREHVRKWCXSKLC-UHFFFAOYSA-N -1 3 397.786 3.657 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nc4c(s3)CCC4)nc(=O)c2c1C ZINC000842143891 1029099515 /nfs/dbraw/zinc/09/95/15/1029099515.db2.gz GWNIOCQMFWBMPF-MRVPVSSYSA-N -1 3 375.475 3.877 20 0 GHADHM CCN1CCN(Cc2ccc(Nc3ccc(F)c(C(=O)[O-])c3F)cc2)CC1 ZINC001215276322 1029126788 /nfs/dbraw/zinc/12/67/88/1029126788.db2.gz CUJRMOHFZOMQSK-UHFFFAOYSA-N -1 3 375.419 3.544 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(OC(C)C)ccc1C)OCC ZINC001215583120 1029292918 /nfs/dbraw/zinc/29/29/18/1029292918.db2.gz AWAYZCPSUXQJSK-UHFFFAOYSA-N -1 3 375.469 3.963 20 0 GHADHM C[C@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001215999352 1029484239 /nfs/dbraw/zinc/48/42/39/1029484239.db2.gz BCIAAUINTWSDKS-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM COc1cc(Br)ccc1-c1noc(-c2c([O-])cc(C)cc2O)n1 ZINC001216267099 1029588098 /nfs/dbraw/zinc/58/80/98/1029588098.db2.gz BPYWKDQHSKFZPN-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM Cc1nc(Nc2cc(Br)cc(C(=O)NC(C)(C)C)c2)cc(=O)[n-]1 ZINC001216486654 1029659771 /nfs/dbraw/zinc/65/97/71/1029659771.db2.gz BQBWYLYITNFPRW-UHFFFAOYSA-N -1 3 379.258 3.525 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC12CC=CC2 ZINC001143023043 1029788424 /nfs/dbraw/zinc/78/84/24/1029788424.db2.gz PFSCILRUDZGEIL-INIZCTEOSA-N -1 3 382.913 3.528 20 0 GHADHM O=C([O-])C[C@@H](Cc1ccccc1)NCc1cc(Br)cnc1Cl ZINC000843304100 1029901480 /nfs/dbraw/zinc/90/14/80/1029901480.db2.gz TXCPQYJLWLFZGY-CQSZACIVSA-N -1 3 383.673 3.673 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2cc(I)ccc2F)no1 ZINC001216735434 1029911655 /nfs/dbraw/zinc/91/16/55/1029911655.db2.gz KJFFPBDNDNFPJM-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cc(C)c(Br)cn3)no2)cc1OC ZINC001216744814 1029914689 /nfs/dbraw/zinc/91/46/89/1029914689.db2.gz GECRGBYJJXBWAM-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1cc(F)ccc1F ZINC001143273737 1029973825 /nfs/dbraw/zinc/97/38/25/1029973825.db2.gz LDYUCAAOAISCSY-INIZCTEOSA-N -1 3 377.368 3.529 20 0 GHADHM CS(=O)(=O)c1ccccc1-c1noc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001216896086 1029984897 /nfs/dbraw/zinc/98/48/97/1029984897.db2.gz SFQVOVYHFQLJOH-UHFFFAOYSA-N -1 3 384.335 3.532 20 0 GHADHM Cc1cc(-c2noc(-c3cc([O-])ccc3I)n2)cc(C)n1 ZINC001216943495 1030015547 /nfs/dbraw/zinc/01/55/47/1030015547.db2.gz CLQNDZUPQUNACG-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM COc1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)c2ccccc12 ZINC001216958588 1030031430 /nfs/dbraw/zinc/03/14/30/1030031430.db2.gz HOUDRELGVMIAMA-UHFFFAOYSA-N -1 3 378.384 3.642 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cccc4ccc(C)nc43)no2)c1C ZINC001216961156 1030034253 /nfs/dbraw/zinc/03/42/53/1030034253.db2.gz BNNCDNGRXVLTBR-UHFFFAOYSA-N -1 3 386.411 3.845 20 0 GHADHM CCCOc1ccc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)cc1 ZINC001216961660 1030034687 /nfs/dbraw/zinc/03/46/87/1030034687.db2.gz KHKZEJGOMKLSCM-UHFFFAOYSA-N -1 3 379.416 3.777 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cccc4c(Cl)ccnc34)no2)C1=O ZINC001217354300 1030332056 /nfs/dbraw/zinc/33/20/56/1030332056.db2.gz DGAOPTODTWYPJW-UHFFFAOYSA-N -1 3 376.759 3.740 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)no1 ZINC001150112742 1030403807 /nfs/dbraw/zinc/40/38/07/1030403807.db2.gz PEWJUJHNCQZYID-UHFFFAOYSA-N -1 3 392.793 3.810 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(OC)cc4Cl)no3)c21 ZINC001217512443 1030454093 /nfs/dbraw/zinc/45/40/93/1030454093.db2.gz MRWUYZCWQPIARM-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc5ncsc5c4)no3)c21 ZINC001217512080 1030454371 /nfs/dbraw/zinc/45/43/71/1030454371.db2.gz KJTHHTHBZXBAGH-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM Cc1nc(-c2noc3ccc(C(=O)Nc4nnc(C(F)(F)F)[n-]4)cc32)cs1 ZINC001150295471 1030479431 /nfs/dbraw/zinc/47/94/31/1030479431.db2.gz TXFFPAQGIXCCQP-UHFFFAOYSA-N -1 3 394.338 3.649 20 0 GHADHM Cc1nc(-c2noc3ccc(C(=O)Nc4nc(C(F)(F)F)n[n-]4)cc32)cs1 ZINC001150295471 1030479438 /nfs/dbraw/zinc/47/94/38/1030479438.db2.gz TXFFPAQGIXCCQP-UHFFFAOYSA-N -1 3 394.338 3.649 20 0 GHADHM Cc1cc(Br)c(CNC(=O)c2c[n-]c3ccccc3c2=O)s1 ZINC001461673383 1069670849 /nfs/dbraw/zinc/67/08/49/1069670849.db2.gz RAHNNNXONXZCFJ-UHFFFAOYSA-N -1 3 377.263 3.591 20 0 GHADHM C[C@]1(CF)CC(F)(F)CN1C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150464677 1030533982 /nfs/dbraw/zinc/53/39/82/1030533982.db2.gz VKZPPZGBROVIIL-OAHLLOKOSA-N -1 3 392.299 3.756 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001150463973 1030534377 /nfs/dbraw/zinc/53/43/77/1030534377.db2.gz BVHVRMZYANDMDP-LRDDRELGSA-N -1 3 392.377 3.521 20 0 GHADHM COC(C)(C)[C@H]1CCCN1C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150466966 1030536246 /nfs/dbraw/zinc/53/62/46/1030536246.db2.gz AQAJNJWYSUDWIX-OAHLLOKOSA-N -1 3 382.382 3.577 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H]3COCc4ccccc43)nc21 ZINC001223401415 1030554529 /nfs/dbraw/zinc/55/45/29/1030554529.db2.gz ABNZJIAQEAGTBX-KXBFYZLASA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H]3COCc4ccccc43)[n-]c21 ZINC001223401415 1030554537 /nfs/dbraw/zinc/55/45/37/1030554537.db2.gz ABNZJIAQEAGTBX-KXBFYZLASA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3CC(F)(F)C3(F)F)nc21 ZINC001223404557 1030558464 /nfs/dbraw/zinc/55/84/64/1030558464.db2.gz SUXVIXWXQSMFKR-RMLUDKJBSA-N -1 3 384.688 3.728 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3CC(F)(F)C3(F)F)[n-]c21 ZINC001223404557 1030558482 /nfs/dbraw/zinc/55/84/82/1030558482.db2.gz SUXVIXWXQSMFKR-RMLUDKJBSA-N -1 3 384.688 3.728 20 0 GHADHM CCn1nc2c(c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])CCCC2 ZINC001150850634 1030684387 /nfs/dbraw/zinc/68/43/87/1030684387.db2.gz WJRZEJYLHDSREW-UHFFFAOYSA-N -1 3 385.464 3.695 20 0 GHADHM COc1nnc(NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)[n-]1 ZINC001151031286 1030750057 /nfs/dbraw/zinc/75/00/57/1030750057.db2.gz GCLBIQQMNVWHKW-UHFFFAOYSA-N -1 3 384.248 3.804 20 0 GHADHM COc1nc(NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)n[n-]1 ZINC001151031286 1030750074 /nfs/dbraw/zinc/75/00/74/1030750074.db2.gz GCLBIQQMNVWHKW-UHFFFAOYSA-N -1 3 384.248 3.804 20 0 GHADHM COc1n[n-]c(NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)n1 ZINC001151031286 1030750090 /nfs/dbraw/zinc/75/00/90/1030750090.db2.gz GCLBIQQMNVWHKW-UHFFFAOYSA-N -1 3 384.248 3.804 20 0 GHADHM CN(C)c1ccc([S@@](C)(=O)=NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC001151166376 1030788612 /nfs/dbraw/zinc/78/86/12/1030788612.db2.gz ATDSBZQSOMEYID-AREMUKBSSA-N -1 3 386.395 3.774 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC001151372028 1030884145 /nfs/dbraw/zinc/88/41/45/1030884145.db2.gz CSKQMEKWDXSICK-UHFFFAOYSA-N -1 3 394.383 3.528 20 0 GHADHM COc1ccc(C(=O)c2ccccc2[O-])c(O[C@H]2CNCc3ccccc32)c1 ZINC001218489724 1030959333 /nfs/dbraw/zinc/95/93/33/1030959333.db2.gz UUHFCQJABDFMLY-QFIPXVFZSA-N -1 3 375.424 3.855 20 0 GHADHM COc1nc(Cl)ccc1NC(=O)c1nc2cc(Br)ccc2[n-]1 ZINC001151821952 1031019148 /nfs/dbraw/zinc/01/91/48/1031019148.db2.gz ZOPWIIXZCFMPRZ-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM COc1nc(Cl)ccc1NC(=O)c1nc2ccc(Br)cc2[n-]1 ZINC001151821952 1031019169 /nfs/dbraw/zinc/01/91/69/1031019169.db2.gz ZOPWIIXZCFMPRZ-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001152158662 1031129082 /nfs/dbraw/zinc/12/90/82/1031129082.db2.gz VJVKQTDCHYKFGE-HXUWFJFHSA-N -1 3 375.371 3.637 20 0 GHADHM CCCOc1ccc(CN(Cc2ccccc2)C(=O)c2cc(=O)[n-]cn2)cc1 ZINC001152381402 1031213270 /nfs/dbraw/zinc/21/32/70/1031213270.db2.gz VFUAUOQJPQVHLT-UHFFFAOYSA-N -1 3 377.444 3.814 20 0 GHADHM CSc1ccc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001152425742 1031234584 /nfs/dbraw/zinc/23/45/84/1031234584.db2.gz YXZRXPXITWNCNK-UHFFFAOYSA-N -1 3 384.910 3.994 20 0 GHADHM O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152681226 1031325514 /nfs/dbraw/zinc/32/55/14/1031325514.db2.gz HXBUEVDZTQOHSZ-UHFFFAOYSA-N -1 3 396.834 3.538 20 0 GHADHM O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001152828647 1031370044 /nfs/dbraw/zinc/37/00/44/1031370044.db2.gz FZGLNJOLVJSGBF-CYBMUJFWSA-N -1 3 390.434 3.856 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1 ZINC001153812959 1031755800 /nfs/dbraw/zinc/75/58/00/1031755800.db2.gz SIHZIFPEHRDQSR-PXNSSMCTSA-N -1 3 381.472 3.736 20 0 GHADHM Cc1ccc2nc(NC(=O)NCc3ccc([O-])c(Br)c3)sc2n1 ZINC001220091803 1031781807 /nfs/dbraw/zinc/78/18/07/1031781807.db2.gz MREPHXSGTFBCNK-UHFFFAOYSA-N -1 3 393.266 3.790 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226116404 1031795767 /nfs/dbraw/zinc/79/57/67/1031795767.db2.gz BXRURXMIELDTDV-KGLIPLIRSA-N -1 3 383.489 3.759 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1O ZINC001226479250 1031974033 /nfs/dbraw/zinc/97/40/33/1031974033.db2.gz MRPDWKPIMRNUST-HRAATJIYSA-N -1 3 391.464 3.859 20 0 GHADHM CCOCC(COCC)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226491735 1031981493 /nfs/dbraw/zinc/98/14/93/1031981493.db2.gz PCVQOVNGNGGSGI-UHFFFAOYSA-N -1 3 384.428 3.986 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)cc12 ZINC001226532882 1031998926 /nfs/dbraw/zinc/99/89/26/1031998926.db2.gz WPUSSVXWPWLYKK-CZUORRHYSA-N -1 3 389.448 3.831 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3c([O-])ccc4ccc(=O)oc43)C[C@@H]2C1 ZINC001226597882 1032033847 /nfs/dbraw/zinc/03/38/47/1032033847.db2.gz XKIKSRBIYZISFH-QDMKHBRRSA-N -1 3 387.432 3.523 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(C)(C)C ZINC001156969364 1033345346 /nfs/dbraw/zinc/34/53/46/1033345346.db2.gz HXUTXTXXSHFPDO-HXUWFJFHSA-N -1 3 383.488 3.885 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001156971501 1033347594 /nfs/dbraw/zinc/34/75/94/1033347594.db2.gz UOZWCOIFSVMFET-OALUTQOASA-N -1 3 380.488 3.663 20 0 GHADHM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001229257870 1033371926 /nfs/dbraw/zinc/37/19/26/1033371926.db2.gz AUBJUMVOEDPNCQ-XUTJKUGGSA-N -1 3 395.499 3.840 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354565 1033434515 /nfs/dbraw/zinc/43/45/15/1033434515.db2.gz ZQWUGWAPELDUQL-AVGNSLFASA-N -1 3 386.539 3.512 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)o2)cc1 ZINC001157234795 1033487354 /nfs/dbraw/zinc/48/73/54/1033487354.db2.gz SCDCSWSEMOUXQR-LLVKDONJSA-N -1 3 393.369 3.597 20 0 GHADHM Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157243876 1033488677 /nfs/dbraw/zinc/48/86/77/1033488677.db2.gz SLSVTBNIOCRHIW-ZCFIWIBFSA-N -1 3 395.154 3.525 20 0 GHADHM CN1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(-c3coc4cc([O-])ccc4c3=O)ccc1O)C2 ZINC001229749626 1033684576 /nfs/dbraw/zinc/68/45/76/1033684576.db2.gz DHVYFYAPDMBLBF-QLPKVWCKSA-N -1 3 393.439 3.875 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)c[nH]c2c1 ZINC001158346452 1034036193 /nfs/dbraw/zinc/03/61/93/1034036193.db2.gz WVDMWTBCZDUQKM-UHFFFAOYSA-N -1 3 388.427 3.738 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)c[nH]c2c1 ZINC001158346452 1034036207 /nfs/dbraw/zinc/03/62/07/1034036207.db2.gz WVDMWTBCZDUQKM-UHFFFAOYSA-N -1 3 388.427 3.738 20 0 GHADHM CC1(C)COc2ccc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)cc21 ZINC001158346070 1034036969 /nfs/dbraw/zinc/03/69/69/1034036969.db2.gz 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CCCc1nnc(C[N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)o1 ZINC001253981924 1039933488 /nfs/dbraw/zinc/93/34/88/1039933488.db2.gz AKRYZQCSHRDREJ-UHFFFAOYSA-N -1 3 391.880 3.821 20 0 GHADHM CC(=O)N1CCC[C@H](Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234378835 1039991982 /nfs/dbraw/zinc/99/19/82/1039991982.db2.gz BHIBJSONLDQIFM-HNNXBMFYSA-N -1 3 379.412 3.555 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](c2cn(-c3ccc(Cl)cc3[O-])nn2)C1 ZINC001254164911 1040017164 /nfs/dbraw/zinc/01/71/64/1040017164.db2.gz AVHWXGULDHELSA-GFCCVEGCSA-N -1 3 378.860 3.741 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](c2cn(-c3ccc(Cl)cc3[O-])nn2)C1 ZINC001254164912 1040017420 /nfs/dbraw/zinc/01/74/20/1040017420.db2.gz AVHWXGULDHELSA-LBPRGKRZSA-N -1 3 378.860 3.741 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2c(F)cccc2OC2COC2)c1C ZINC001254166937 1040019130 /nfs/dbraw/zinc/01/91/30/1040019130.db2.gz URPGKYBQZJFJFG-UHFFFAOYSA-N -1 3 379.453 3.638 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2c([O-])cc(Cl)cc2F)[C@H]2OCC[C@@H]21 ZINC001234448310 1040041194 /nfs/dbraw/zinc/04/11/94/1040041194.db2.gz QUTIPRAULICRJH-NOLJZWGESA-N -1 3 387.835 3.730 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC001254302610 1040154939 /nfs/dbraw/zinc/15/49/39/1040154939.db2.gz XDYKCEHXHLLWIW-UHFFFAOYSA-N -1 3 377.315 3.571 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1CC(F)(F)C1(F)F ZINC001234608450 1040164809 /nfs/dbraw/zinc/16/48/09/1040164809.db2.gz KHYLAMHEFCPCAZ-QMMMGPOBSA-N -1 3 387.123 3.753 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H]1COCc2ccccc21 ZINC001234608158 1040164928 /nfs/dbraw/zinc/16/49/28/1040164928.db2.gz JYTBFMXSSPIMRM-OAHLLOKOSA-N -1 3 393.233 3.982 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1 ZINC001234691960 1040224519 /nfs/dbraw/zinc/22/45/19/1040224519.db2.gz LKUOMUGPMOBCOW-LJQANCHMSA-N -1 3 377.444 3.838 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)c2ccccc2O1 ZINC001234691424 1040224630 /nfs/dbraw/zinc/22/46/30/1040224630.db2.gz IONAOROSQYMEHM-QZTJIDSGSA-N -1 3 392.411 3.684 20 0 GHADHM COc1c([O-])cc2c(c1OC1CCC(=O)CC1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759052 1040289722 /nfs/dbraw/zinc/28/97/22/1040289722.db2.gz MHWROYONAUKUNT-SFHVURJKSA-N -1 3 382.412 3.998 20 0 GHADHM O=C1CCC2(CCN(Cc3cccc([O-])c3Cl)CC2)CN1CC(F)(F)F ZINC001277918661 1040575200 /nfs/dbraw/zinc/57/52/00/1040575200.db2.gz LDGYDCICYZFIHE-UHFFFAOYSA-N -1 3 390.833 3.813 20 0 GHADHM CC1(C)CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@@H](c2ccccc2)C1 ZINC001235268358 1040747294 /nfs/dbraw/zinc/74/72/94/1040747294.db2.gz RQGSIQFRNFXXPH-KGLIPLIRSA-N -1 3 395.429 3.985 20 0 GHADHM [O-]c1cc(I)cc(-c2nnc(Cc3ccccc3F)o2)c1 ZINC001255874025 1041370087 /nfs/dbraw/zinc/37/00/87/1041370087.db2.gz KSBZGLARNQDWKQ-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM O=S(=O)([N-]Cc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1F ZINC001256090057 1041519867 /nfs/dbraw/zinc/51/98/67/1041519867.db2.gz YOWLZNROPZVYGR-UHFFFAOYSA-N -1 3 386.729 3.511 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]12CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236682464 1041828517 /nfs/dbraw/zinc/82/85/17/1041828517.db2.gz ASPKQZIWNQZJBQ-SFHVURJKSA-N -1 3 397.313 3.740 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(Br)c([O-])c3)C2)C1 ZINC001236684109 1041830468 /nfs/dbraw/zinc/83/04/68/1041830468.db2.gz NTUDWWRZXKSNBD-UHFFFAOYSA-N -1 3 397.313 3.598 20 0 GHADHM COc1ccccc1O[C@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236685898 1041831301 /nfs/dbraw/zinc/83/13/01/1041831301.db2.gz QABBLFNLHRPZGA-AWEZNQCLSA-N -1 3 378.266 3.817 20 0 GHADHM [O-]c1cc(F)cc(CN2CCc3c(COCc4ccccn4)cncc3C2)c1 ZINC001237277738 1042119454 /nfs/dbraw/zinc/11/94/54/1042119454.db2.gz GJYBQDNMOGAOJU-UHFFFAOYSA-N -1 3 379.435 3.596 20 0 GHADHM [O-]c1cc(F)cc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC001237279682 1042120180 /nfs/dbraw/zinc/12/01/80/1042120180.db2.gz VZQCLWFJCPZFNN-SFHVURJKSA-N -1 3 385.483 3.664 20 0 GHADHM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1Cl ZINC001237904834 1042417427 /nfs/dbraw/zinc/41/74/27/1042417427.db2.gz GIIHCHZDBAWRMH-UHFFFAOYSA-N -1 3 379.638 3.625 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001238146025 1042503129 /nfs/dbraw/zinc/50/31/29/1042503129.db2.gz DJTGIAQEFRGSOI-LRDDRELGSA-N -1 3 381.904 3.738 20 0 GHADHM C[C@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001238232972 1042526767 /nfs/dbraw/zinc/52/67/67/1042526767.db2.gz GTSGIPQVALTQFF-ZFWWWQNUSA-N -1 3 380.460 3.507 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN(Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001238236963 1042528634 /nfs/dbraw/zinc/52/86/34/1042528634.db2.gz TUEIMKJHHXXQCW-WOJBJXKFSA-N -1 3 398.434 3.509 20 0 GHADHM CCOC(=O)[C@]1(C)CCCCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238305415 1042548968 /nfs/dbraw/zinc/54/89/68/1042548968.db2.gz NJXJIWRXQOUQCO-QGZVFWFLSA-N -1 3 388.277 3.849 20 0 GHADHM COCCOc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC001291558732 1043342606 /nfs/dbraw/zinc/34/26/06/1043342606.db2.gz IWWVTXXXCUKVCH-UHFFFAOYSA-N -1 3 394.427 3.535 20 0 GHADHM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC001291585661 1043351323 /nfs/dbraw/zinc/35/13/23/1043351323.db2.gz LFXGWMNBFQCGEK-QGZVFWFLSA-N -1 3 395.386 3.810 20 0 GHADHM O=S(=O)([N-]Cc1cc(OC(F)(F)F)ccc1F)c1ccc(Cl)s1 ZINC001256527816 1043455161 /nfs/dbraw/zinc/45/51/61/1043455161.db2.gz VBWMOKDYDMCEGU-UHFFFAOYSA-N -1 3 389.779 3.918 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC001256548946 1043512614 /nfs/dbraw/zinc/51/26/14/1043512614.db2.gz YPEWDVYGXNITGP-JTQLQIEISA-N -1 3 396.962 3.619 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC001256562697 1043536524 /nfs/dbraw/zinc/53/65/24/1043536524.db2.gz HSILBHZPRFTGRB-MNOVXSKESA-N -1 3 392.727 3.998 20 0 GHADHM O=C(NCCN1CCc2sccc2C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001292094316 1043590352 /nfs/dbraw/zinc/59/03/52/1043590352.db2.gz KXESZQFKHUJORK-UHFFFAOYSA-N -1 3 392.524 3.833 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cc2nc(Cl)ncc2s1 ZINC001462736416 1070509808 /nfs/dbraw/zinc/50/98/08/1070509808.db2.gz WVGKTYDLMPJICZ-SNVBAGLBSA-N -1 3 397.934 3.860 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)cc1OC ZINC001257009873 1043796590 /nfs/dbraw/zinc/79/65/90/1043796590.db2.gz HKVRGYAFNZVKEE-UHFFFAOYSA-N -1 3 396.774 3.572 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc2nc(Cl)ncc2s1 ZINC001462754675 1070524930 /nfs/dbraw/zinc/52/49/30/1070524930.db2.gz QYMFYKFHPOMLNB-IJLUTSLNSA-N -1 3 385.942 3.982 20 0 GHADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(C[N-]S(=O)(=O)c3cc(C)ccc3C)o2)cc1 ZINC001257269015 1043949698 /nfs/dbraw/zinc/94/96/98/1043949698.db2.gz PEJQNFGPTZLCJJ-MSOLQXFVSA-N -1 3 397.500 3.744 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(F)ccc21)c1cccc(Cl)c1Cl ZINC001257293002 1043959403 /nfs/dbraw/zinc/95/94/03/1043959403.db2.gz AXTGWWSAVNBBCV-LBPRGKRZSA-N -1 3 376.236 3.935 20 0 GHADHM O=S(=O)([N-]CC1(CC2CC2)CCOCC1)c1cccc(Cl)c1Cl ZINC001257300917 1043961461 /nfs/dbraw/zinc/96/14/61/1043961461.db2.gz WGZSFELGIVSRBX-UHFFFAOYSA-N -1 3 378.321 3.869 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nnc([C@@H]3C[C@@H]3c3ccc(C)cc3)o2)c1C ZINC001257335718 1043966858 /nfs/dbraw/zinc/96/68/58/1043966858.db2.gz SWIIJLVCCFSJLX-RTBURBONSA-N -1 3 375.428 3.901 20 0 GHADHM C[C@@H](CNC(=O)c1cc(Br)c(F)cc1[O-])N(C)Cc1ccccc1 ZINC001293469945 1044198708 /nfs/dbraw/zinc/19/87/08/1044198708.db2.gz CLDFPRCWHFVGAG-LBPRGKRZSA-N -1 3 395.272 3.544 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)n1)c1ccccc1 ZINC001462800828 1070555274 /nfs/dbraw/zinc/55/52/74/1070555274.db2.gz HYCGYQKPMFEFAE-CQSZACIVSA-N -1 3 383.311 3.562 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001257920905 1044259740 /nfs/dbraw/zinc/25/97/40/1044259740.db2.gz WMXKHXHSQBQNLG-UHFFFAOYSA-N -1 3 394.758 3.637 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nnc(CCc2ccccc2)o1 ZINC001257936669 1044263519 /nfs/dbraw/zinc/26/35/19/1044263519.db2.gz DNBPOYKYOKVCHY-ZDUSSCGKSA-N -1 3 391.880 3.548 20 0 GHADHM Cc1cc(C)n(Cc2ccc(-c3nnc(-c4c([O-])cc(C)cc4O)o3)cc2)n1 ZINC001257998009 1044326779 /nfs/dbraw/zinc/32/67/79/1044326779.db2.gz XOEOMDCNVIAYCC-UHFFFAOYSA-N -1 3 376.416 3.985 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC001462835942 1070585053 /nfs/dbraw/zinc/58/50/53/1070585053.db2.gz BROSVOIZTSGWGZ-KRWDZBQOSA-N -1 3 397.443 3.817 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2nc(-c3cc(C)oc3C)cs2)s1 ZINC001258508491 1044586582 /nfs/dbraw/zinc/58/65/82/1044586582.db2.gz KOAJXEQKGXMHTK-UHFFFAOYSA-N -1 3 377.447 3.905 20 0 GHADHM CCc1ccc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)c([O-])c1 ZINC001294723312 1044776158 /nfs/dbraw/zinc/77/61/58/1044776158.db2.gz XBVQNBLGDVBNAC-QHCPKHFHSA-N -1 3 391.467 3.997 20 0 GHADHM CCCCc1ccc(N2C[C@@H](C(=O)NCc3ccc([O-])c(F)c3)CC2=O)cc1 ZINC001294867525 1044820442 /nfs/dbraw/zinc/82/04/42/1044820442.db2.gz JXKZAIPAFUUDQS-KRWDZBQOSA-N -1 3 384.451 3.543 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)o1 ZINC001462857278 1070601803 /nfs/dbraw/zinc/60/18/03/1070601803.db2.gz DEPVLWYBUAFSQL-PSASIEDQSA-N -1 3 394.802 3.949 20 0 GHADHM O=S(=O)([N-]c1ccnc(F)c1Br)c1ccc(F)cc1Cl ZINC001258911755 1044868140 /nfs/dbraw/zinc/86/81/40/1044868140.db2.gz OQOSIIRVAUBAHO-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(Cl)nc(Cl)c1)C(=O)C2 ZINC001258967044 1044910322 /nfs/dbraw/zinc/91/03/22/1044910322.db2.gz SIJASKGVPQBFDD-VFZGTOFNSA-N -1 3 377.293 3.526 20 0 GHADHM Cc1c(Br)cccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259044172 1044931897 /nfs/dbraw/zinc/93/18/97/1044931897.db2.gz WAZSQASMXFSOGJ-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=S(=O)([N-]Cc1cncc2ccccc21)c1ccc(Br)s1 ZINC001259063067 1044943648 /nfs/dbraw/zinc/94/36/48/1044943648.db2.gz QCNOWEDHCQJNHA-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC001259204696 1045006504 /nfs/dbraw/zinc/00/65/04/1045006504.db2.gz NDTKDSPXBAEAFT-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC001259254181 1045044993 /nfs/dbraw/zinc/04/49/93/1045044993.db2.gz GVZJCYYCRGDFPI-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)c1cccc2ccccc21 ZINC001259267915 1045054678 /nfs/dbraw/zinc/05/46/78/1045054678.db2.gz DUZNQQYBGJCUCW-OAQYLSRUSA-N -1 3 397.496 3.872 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)c1cccc2ccccc21 ZINC001259267913 1045055201 /nfs/dbraw/zinc/05/52/01/1045055201.db2.gz DUZNQQYBGJCUCW-NRFANRHFSA-N -1 3 397.496 3.872 20 0 GHADHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3cc(F)cc(F)c3)cs2)c1 ZINC001259316101 1045075045 /nfs/dbraw/zinc/07/50/45/1045075045.db2.gz GAEIKJPBOBPNHA-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2ccncc2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369442 1045104514 /nfs/dbraw/zinc/10/45/14/1045104514.db2.gz CEDSBISSSRTMTP-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2ccncc2)c1)c1ccc(-n2cccn2)cc1 ZINC001259369809 1045104589 /nfs/dbraw/zinc/10/45/89/1045104589.db2.gz VLAQYSTYHUMSPD-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM O=C1CCCCc2cc([N-]S(=O)(=O)c3ccc(-n4cccn4)cc3)ccc21 ZINC001259371178 1045107096 /nfs/dbraw/zinc/10/70/96/1045107096.db2.gz ZWGXFPGGMHOROI-UHFFFAOYSA-N -1 3 381.457 3.582 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)c(F)c3F)cc2o1 ZINC001259385064 1045113881 /nfs/dbraw/zinc/11/38/81/1045113881.db2.gz VTZNHHRXIMHJIQ-UHFFFAOYSA-N -1 3 394.277 3.631 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1cccc(OC(F)F)c1 ZINC001259438807 1045155881 /nfs/dbraw/zinc/15/58/81/1045155881.db2.gz QAHXFLJCRQNDLI-UHFFFAOYSA-N -1 3 387.166 3.930 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)c([O-])c1 ZINC001295836727 1045161969 /nfs/dbraw/zinc/16/19/69/1045161969.db2.gz KDYGGLMAPZJFLC-UHFFFAOYSA-N -1 3 392.839 3.904 20 0 GHADHM COc1ccc(C[C@H](C)CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001295854513 1045168649 /nfs/dbraw/zinc/16/86/49/1045168649.db2.gz RAURISYPWVOIBR-LBPRGKRZSA-N -1 3 378.266 3.772 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001259490733 1045198859 /nfs/dbraw/zinc/19/88/59/1045198859.db2.gz NHPFIRFECNDYJI-UHFFFAOYSA-N -1 3 395.452 3.655 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCCC1)c1cc(F)c(F)c(F)c1 ZINC001259502861 1045208265 /nfs/dbraw/zinc/20/82/65/1045208265.db2.gz VOMJJOWXJLESAK-UHFFFAOYSA-N -1 3 398.450 3.963 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC(F)(F)CC1 ZINC001259514901 1045216546 /nfs/dbraw/zinc/21/65/46/1045216546.db2.gz NJOJRTVSQIDNLC-UHFFFAOYSA-N -1 3 385.835 3.600 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2csc3ncccc23)cc1 ZINC001259643376 1045256310 /nfs/dbraw/zinc/25/63/10/1045256310.db2.gz SSXHWBNCJXGKAQ-UHFFFAOYSA-N -1 3 378.475 3.516 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1 ZINC001259643545 1045257159 /nfs/dbraw/zinc/25/71/59/1045257159.db2.gz XFVUGFNUTBPWNE-UHFFFAOYSA-N -1 3 398.484 3.968 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)cc1 ZINC001259649134 1045259321 /nfs/dbraw/zinc/25/93/21/1045259321.db2.gz LKEKSUKZRYMEAA-UHFFFAOYSA-N -1 3 391.823 3.838 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2F)cc1 ZINC001259725335 1045276975 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GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1ccc(Br)cc1F ZINC001260374830 1045481297 /nfs/dbraw/zinc/48/12/97/1045481297.db2.gz RLECZGXJXYYDAD-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1ccc(CCC[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC001260379830 1045483208 /nfs/dbraw/zinc/48/32/08/1045483208.db2.gz VFNUGTLKEUOKQQ-UHFFFAOYSA-N -1 3 392.315 3.869 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(F)c1)c1ccc(Br)cc1F ZINC001260379833 1045483361 /nfs/dbraw/zinc/48/33/61/1045483361.db2.gz VLBNHWCGZHWALK-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1ccc(Br)cc1F ZINC001260380604 1045484230 /nfs/dbraw/zinc/48/42/30/1045484230.db2.gz PQKHMYQJHHNLBE-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM CC1(C)CCc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2O1 ZINC001260453417 1045499332 /nfs/dbraw/zinc/49/93/32/1045499332.db2.gz DSRAFLDUNILGAN-UHFFFAOYSA-N -1 3 385.441 3.697 20 0 GHADHM CC[C@@H](C)c1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)[nH]1 ZINC001297450419 1045526891 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CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)c1 ZINC001260803534 1045672733 /nfs/dbraw/zinc/67/27/33/1045672733.db2.gz NDMRKNMVWRGTME-UHFFFAOYSA-N -1 3 375.837 3.647 20 0 GHADHM CCOC(=O)c1cncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001260818447 1045684422 /nfs/dbraw/zinc/68/44/22/1045684422.db2.gz HTCCDLSCBDCFGH-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001260897550 1045755397 /nfs/dbraw/zinc/75/53/97/1045755397.db2.gz SAUHWJYODBWJFI-UHFFFAOYSA-N -1 3 391.342 3.712 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC001260913384 1045766463 /nfs/dbraw/zinc/76/64/63/1045766463.db2.gz DWNMVWATHSXGSM-UHFFFAOYSA-N -1 3 391.836 3.732 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC(C)(C)N1O ZINC001261011037 1045830894 /nfs/dbraw/zinc/83/08/94/1045830894.db2.gz DBKJAFGDOHIMMO-UHFFFAOYSA-N -1 3 398.422 3.534 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261013505 1045836705 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CC[C@@H](C)CCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001301058308 1046313935 /nfs/dbraw/zinc/31/39/35/1046313935.db2.gz BXFLAQVDZUQQHP-DJIMGWMZSA-N -1 3 384.442 3.876 20 0 GHADHM COCCOCc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001302246241 1046886615 /nfs/dbraw/zinc/88/66/15/1046886615.db2.gz YLSRHNXLRRIISO-UHFFFAOYSA-N -1 3 386.835 3.597 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1F ZINC001463142525 1070847821 /nfs/dbraw/zinc/84/78/21/1070847821.db2.gz CIZUMBUWPXRVPE-CYBMUJFWSA-N -1 3 398.670 3.798 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCC[C@H]2[C@@H]2CCCO2)s1 ZINC001264001364 1047209723 /nfs/dbraw/zinc/20/97/23/1047209723.db2.gz SYDXORPQUCSXIA-STQMWFEESA-N -1 3 381.498 3.664 20 0 GHADHM O=C(NCc1ccnc(-c2ccccn2)n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001303093425 1047277413 /nfs/dbraw/zinc/27/74/13/1047277413.db2.gz IVHKIWIZIMBMNV-UHFFFAOYSA-N -1 3 398.422 3.967 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](c1nccn1C)c1cccc(F)c1 ZINC001264283607 1047296107 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392.253 3.631 20 0 GHADHM COc1cc(OC)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1Cl ZINC001440468199 1058519195 /nfs/dbraw/zinc/51/91/95/1058519195.db2.gz IYHBVQKLNONAIT-UHFFFAOYSA-N -1 3 394.761 3.729 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(CCC(C)C)C1CC1 ZINC001441047474 1058688815 /nfs/dbraw/zinc/68/88/15/1058688815.db2.gz ZLEQYAVROJGBOK-UHFFFAOYSA-N -1 3 395.459 3.643 20 0 GHADHM COc1cccc([O-])c1C(=O)NCc1cc2cccnc2cc1Br ZINC001545939364 1058727089 /nfs/dbraw/zinc/72/70/89/1058727089.db2.gz ZPVGDHWUKIIPKA-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM COc1cccc2c1OC[C@@H](NC(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC001443316894 1059105993 /nfs/dbraw/zinc/10/59/93/1059105993.db2.gz XSLAEOMQBHMCLF-IBGZPJMESA-N -1 3 389.451 3.725 20 0 GHADHM CC[S@](=O)(=NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1cccc(Cl)c1 ZINC001339331875 1059113165 /nfs/dbraw/zinc/11/31/65/1059113165.db2.gz CREMSGAIAVXAOI-RUZDIDTESA-N -1 3 381.885 3.955 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001443447717 1059132897 /nfs/dbraw/zinc/13/28/97/1059132897.db2.gz FJLBSWROKAVNCB-UHFFFAOYSA-N -1 3 377.473 3.937 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001443447717 1059132900 /nfs/dbraw/zinc/13/29/00/1059132900.db2.gz FJLBSWROKAVNCB-UHFFFAOYSA-N -1 3 377.473 3.937 20 0 GHADHM COc1ccc2[nH]cc(CCNC(=O)c3c[n-]c4c(Cl)cccc4c3=O)c2c1 ZINC001443848136 1059216405 /nfs/dbraw/zinc/21/64/05/1059216405.db2.gz MZPHYFDSOPGLNE-UHFFFAOYSA-N -1 3 395.846 3.644 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccc(Cl)cc1)C1CC1 ZINC001340022475 1059627593 /nfs/dbraw/zinc/62/75/93/1059627593.db2.gz ZYQAVVMUTOZDNU-UHFFFAOYSA-N -1 3 384.871 3.591 20 0 GHADHM CC(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC001445907767 1059652228 /nfs/dbraw/zinc/65/22/28/1059652228.db2.gz DTBLUOWJJAFSKD-UHFFFAOYSA-N -1 3 397.656 3.697 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2cccc([O-])c2F)co1 ZINC001446238567 1059733156 /nfs/dbraw/zinc/73/31/56/1059733156.db2.gz JJAFUJBUEYPQDJ-ZDUSSCGKSA-N -1 3 391.399 3.844 20 0 GHADHM CCC(CC)(C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001340192792 1059753326 /nfs/dbraw/zinc/75/33/26/1059753326.db2.gz DMDTYGJUPVQUJW-UHFFFAOYSA-N -1 3 392.496 3.571 20 0 GHADHM O=C(CCCCc1ccc(I)cc1)[N-]OC1CCCC1 ZINC001446828819 1059874843 /nfs/dbraw/zinc/87/48/43/1059874843.db2.gz ZIMVWALILSFQTE-UHFFFAOYSA-N -1 3 387.261 3.994 20 0 GHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)[C@@H]2C ZINC001447561726 1059982030 /nfs/dbraw/zinc/98/20/30/1059982030.db2.gz UMPRFNLJBHRWDD-NWDGAFQWSA-N -1 3 398.409 3.963 20 0 GHADHM COC[C@@H](C)n1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001448110639 1060106679 /nfs/dbraw/zinc/10/66/79/1060106679.db2.gz MASZRAVTVUXMBN-MRXNPFEDSA-N -1 3 379.460 3.834 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC001449100379 1060329627 /nfs/dbraw/zinc/32/96/27/1060329627.db2.gz GSCJKWADZZFZMK-GDZNZVCISA-N -1 3 394.537 3.878 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001449200954 1060351343 /nfs/dbraw/zinc/35/13/43/1060351343.db2.gz WXRGRDBJWKYMDW-QBPKDAKJSA-N -1 3 395.503 3.856 20 0 GHADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001449705985 1060449713 /nfs/dbraw/zinc/44/97/13/1060449713.db2.gz ZNMOQKVWGNZCAH-OLZOCXBDSA-N -1 3 380.469 3.703 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1Cc2cc(F)c(F)cc2C1 ZINC001341190269 1060482413 /nfs/dbraw/zinc/48/24/13/1060482413.db2.gz NREHDESQBCMKEO-UHFFFAOYSA-N -1 3 390.821 3.758 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(cncc2Br)s1 ZINC001450050359 1060511922 /nfs/dbraw/zinc/51/19/22/1060511922.db2.gz LBSZWVAWAWSIEZ-UHFFFAOYSA-N -1 3 389.234 3.893 20 0 GHADHM O=C(NCCc1cccc(C(F)(F)F)n1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450125338 1060537623 /nfs/dbraw/zinc/53/76/23/1060537623.db2.gz YEXPARQNYPGXQT-UHFFFAOYSA-N -1 3 395.768 3.568 20 0 GHADHM Cc1ccc(C[C@@H](CO)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1C ZINC001450907748 1060715366 /nfs/dbraw/zinc/71/53/66/1060715366.db2.gz OUUKRKWRBPHSNV-QFIPXVFZSA-N -1 3 389.495 3.933 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001341539933 1060735922 /nfs/dbraw/zinc/73/59/22/1060735922.db2.gz NUPCYFIYQUKXSO-DOTOQJQBSA-N -1 3 393.409 3.895 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC001451135502 1060741946 /nfs/dbraw/zinc/74/19/46/1060741946.db2.gz KUPAIBUFMQTHEV-YESZJQIVSA-N -1 3 388.508 3.720 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c([O-])c1 ZINC001452499376 1060950212 /nfs/dbraw/zinc/95/02/12/1060950212.db2.gz RGWRXWRWODNBFL-VBNZEHGJSA-N -1 3 377.481 3.523 20 0 GHADHM O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452731371 1060995972 /nfs/dbraw/zinc/99/59/72/1060995972.db2.gz XZTYTBUEYSYLMR-CYBMUJFWSA-N -1 3 385.370 3.816 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001345948395 1061232583 /nfs/dbraw/zinc/23/25/83/1061232583.db2.gz LKDUDJJHUMHNFN-ZDUSSCGKSA-N -1 3 398.536 3.731 20 0 GHADHM Cc1cc(=O)[n-]c(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)n1 ZINC000774989882 1061640698 /nfs/dbraw/zinc/64/06/98/1061640698.db2.gz VFDQSUIEUYSUHT-OAHLLOKOSA-N -1 3 394.450 3.662 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001454410489 1061768779 /nfs/dbraw/zinc/76/87/79/1061768779.db2.gz HWMJAYHFEZAOGK-ZDUSSCGKSA-N -1 3 386.253 3.762 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001454410489 1061768801 /nfs/dbraw/zinc/76/88/01/1061768801.db2.gz HWMJAYHFEZAOGK-ZDUSSCGKSA-N -1 3 386.253 3.762 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)c(C)o1 ZINC001454409635 1061769288 /nfs/dbraw/zinc/76/92/88/1061769288.db2.gz DGZYOXBZVJNZHE-UHFFFAOYSA-N -1 3 394.254 3.505 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)c(C)o1 ZINC001454409635 1061769300 /nfs/dbraw/zinc/76/93/00/1061769300.db2.gz DGZYOXBZVJNZHE-UHFFFAOYSA-N -1 3 394.254 3.505 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1(C)CC1 ZINC001346654319 1061769838 /nfs/dbraw/zinc/76/98/38/1061769838.db2.gz GSVICUKPGNJYTD-STQMWFEESA-N -1 3 383.414 3.557 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N([C@H](C)COC)[C@H]2CCc3ccccc32)c1 ZINC001454478377 1061798718 /nfs/dbraw/zinc/79/87/18/1061798718.db2.gz VRLRKUMBQDGBPS-QRWLVFNGSA-N -1 3 394.471 3.681 20 0 GHADHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001561694960 1061874471 /nfs/dbraw/zinc/87/44/71/1061874471.db2.gz AAONVCVCSWDQJA-SNVBAGLBSA-N -1 3 398.750 3.832 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@]12C[C@H]1CCCC2 ZINC001454686709 1061909886 /nfs/dbraw/zinc/90/98/86/1061909886.db2.gz OZKCGBMLLGTDMH-CRTZDJKQSA-N -1 3 389.293 3.989 20 0 GHADHM CC(C)CC1(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001545721052 1061969716 /nfs/dbraw/zinc/96/97/16/1061969716.db2.gz NDWAJTSPMXFAHE-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001455388358 1062123161 /nfs/dbraw/zinc/12/31/61/1062123161.db2.gz NYPUJIFFALGVCD-UHFFFAOYSA-N -1 3 393.487 3.900 20 0 GHADHM COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC001455397208 1062124555 /nfs/dbraw/zinc/12/45/55/1062124555.db2.gz BDAOKBOXCOPIIC-UHFFFAOYSA-N -1 3 391.423 3.539 20 0 GHADHM O=C([N-]c1nncn1-c1ccccc1)C(F)(F)c1ccccc1Br ZINC001545888972 1062294112 /nfs/dbraw/zinc/29/41/12/1062294112.db2.gz DTXROJQTLJCDAU-UHFFFAOYSA-N -1 3 393.191 3.760 20 0 GHADHM COC(=O)c1cc(Oc2ccc(NC(=O)c3cc(OC)ccc3[O-])cc2)ccn1 ZINC001455838425 1062322022 /nfs/dbraw/zinc/32/20/22/1062322022.db2.gz RQYGFSLANMHASJ-UHFFFAOYSA-N -1 3 394.383 3.627 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2nnc(-c3c[n-]oc3=O)n2CC2CC2)cc1F ZINC001347682260 1062569629 /nfs/dbraw/zinc/56/96/29/1062569629.db2.gz ARXGUFUKILLOKF-INIZCTEOSA-N -1 3 399.426 3.538 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC001456381225 1062648974 /nfs/dbraw/zinc/64/89/74/1062648974.db2.gz GSZBRWVQEHSOHS-SNVBAGLBSA-N -1 3 390.793 3.822 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001456382529 1062649132 /nfs/dbraw/zinc/64/91/32/1062649132.db2.gz IJMPBRWNSGLNKF-YFKPBYRVSA-N -1 3 397.582 3.730 20 0 GHADHM Cc1onc(-c2ccccc2C)c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456388943 1062654843 /nfs/dbraw/zinc/65/48/43/1062654843.db2.gz VFDRIABBMNKINV-VIFPVBQESA-N -1 3 379.342 3.586 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCCC1 ZINC001435491426 1062673646 /nfs/dbraw/zinc/67/36/46/1062673646.db2.gz LJASHHITHARXQY-UHFFFAOYSA-N -1 3 398.544 3.849 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C2CCCCC2)ccc1F ZINC001435593195 1062763026 /nfs/dbraw/zinc/76/30/26/1062763026.db2.gz XMWTZZFUWQIQHO-UHFFFAOYSA-N -1 3 398.544 3.849 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456803798 1062868284 /nfs/dbraw/zinc/86/82/84/1062868284.db2.gz XLFMEXKMCZIBSY-HNNXBMFYSA-N -1 3 393.443 3.908 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456803798 1062868310 /nfs/dbraw/zinc/86/83/10/1062868310.db2.gz XLFMEXKMCZIBSY-HNNXBMFYSA-N -1 3 393.443 3.908 20 0 GHADHM O=C(Nc1ccnn1[C@@H]1CCCOC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001456850235 1062894731 /nfs/dbraw/zinc/89/47/31/1062894731.db2.gz FXOFOBBILOAHSK-GOSISDBHSA-N -1 3 377.444 3.783 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1F ZINC001435772581 1062921500 /nfs/dbraw/zinc/92/15/00/1062921500.db2.gz NFHKXNSQQXKYKK-LBPRGKRZSA-N -1 3 397.443 3.960 20 0 GHADHM CCOc1ccccc1OCCCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456931290 1062921977 /nfs/dbraw/zinc/92/19/77/1062921977.db2.gz ATSHXXSAATUCHY-QAQDUYKDSA-N -1 3 399.491 3.583 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)nc21 ZINC001456989925 1062940895 /nfs/dbraw/zinc/94/08/95/1062940895.db2.gz IXWUTLCEEDSGMP-LBPRGKRZSA-N -1 3 397.406 3.726 20 0 GHADHM Cc1cc(C(=O)[N-]c2c(C)onc2OC(F)F)nn1-c1ccccc1Cl ZINC001435897963 1062987300 /nfs/dbraw/zinc/98/73/00/1062987300.db2.gz VZOYBGNOYUBZMJ-UHFFFAOYSA-N -1 3 382.754 3.984 20 0 GHADHM Cc1cnn(-c2ccc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)cc2F)c1 ZINC001457649778 1063295292 /nfs/dbraw/zinc/29/52/92/1063295292.db2.gz KQMCIMUGJPBETO-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)c([O-])c1 ZINC001457708531 1063321539 /nfs/dbraw/zinc/32/15/39/1063321539.db2.gz ZPRZEAPDLWXZFC-MRXNPFEDSA-N -1 3 385.460 3.823 20 0 GHADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001545902967 1063709044 /nfs/dbraw/zinc/70/90/44/1063709044.db2.gz FBQFWKQUYFDHDD-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@H]1C ZINC001458528955 1063869836 /nfs/dbraw/zinc/86/98/36/1063869836.db2.gz ZBUXOLVZOZNNIC-WWGRRREGSA-N -1 3 385.501 3.884 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001350611102 1064140544 /nfs/dbraw/zinc/14/05/44/1064140544.db2.gz OQUDHPCQSLLGJF-UHFFFAOYSA-N -1 3 399.882 3.770 20 0 GHADHM Cc1cc(C(F)F)n2ncc(C(=O)[N-]c3nc(-c4ccccc4)ns3)c2n1 ZINC001350677394 1064162062 /nfs/dbraw/zinc/16/20/62/1064162062.db2.gz OUADCYSFOGWGEF-UHFFFAOYSA-N -1 3 386.387 3.746 20 0 GHADHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001463389999 1064305624 /nfs/dbraw/zinc/30/56/24/1064305624.db2.gz VRGMSRLBBHQKQL-JTQLQIEISA-N -1 3 379.350 3.893 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c(F)cc1F ZINC001463559709 1064460384 /nfs/dbraw/zinc/46/03/84/1064460384.db2.gz BXVJJXPOALMOGE-RTBURBONSA-N -1 3 395.471 3.935 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)CC2)c1 ZINC001463561922 1064463098 /nfs/dbraw/zinc/46/30/98/1064463098.db2.gz NHBDCXFZWXDXPX-HOCLYGCPSA-N -1 3 385.501 3.886 20 0 GHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)[C@H]1C ZINC001463623974 1064507696 /nfs/dbraw/zinc/50/76/96/1064507696.db2.gz MVXUHIUPHSNMHA-GRYCIOLGSA-N -1 3 378.307 3.939 20 0 GHADHM CC[C@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)OCCc2ccccc21 ZINC001463820370 1064647165 /nfs/dbraw/zinc/64/71/65/1064647165.db2.gz ORXRVXVSUTXJNP-LJQANCHMSA-N -1 3 397.899 3.777 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C)c2ccccc12 ZINC001463877725 1064688934 /nfs/dbraw/zinc/68/89/34/1064688934.db2.gz IOSLIXQCLLHDTC-UHFFFAOYSA-N -1 3 387.432 3.552 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(OC)c(Br)c(OC)c2)c([O-])c1 ZINC001546143547 1064763251 /nfs/dbraw/zinc/76/32/51/1064763251.db2.gz MZVSYDCHOMOWRJ-UHFFFAOYSA-N -1 3 380.238 3.987 20 0 GHADHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001464067264 1064797161 /nfs/dbraw/zinc/79/71/61/1064797161.db2.gz UJDUIFZZUPOBIC-INIZCTEOSA-N -1 3 380.535 3.602 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3cc(C)ccc3C[C@H]2C)c(F)c1 ZINC001464076839 1064802476 /nfs/dbraw/zinc/80/24/76/1064802476.db2.gz ATHWSTAIQYRTEA-YJYMSZOUSA-N -1 3 391.464 3.523 20 0 GHADHM CCCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1Cc1cc(C)on1 ZINC001352070073 1064809222 /nfs/dbraw/zinc/80/92/22/1064809222.db2.gz HFSKKAUCPZJFIF-UHFFFAOYSA-N -1 3 389.887 3.613 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2csnn2)cc1 ZINC001464138761 1064851647 /nfs/dbraw/zinc/85/16/47/1064851647.db2.gz QYCPQYAFXRSDLK-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@]2(c3ccccc3)CC2(C)C)c1 ZINC001464148395 1064861758 /nfs/dbraw/zinc/86/17/58/1064861758.db2.gz DHOVTJHVMNUSID-FQEVSTJZSA-N -1 3 391.464 3.524 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1F ZINC001464192063 1064900716 /nfs/dbraw/zinc/90/07/16/1064900716.db2.gz PLPDIJFVIRTGJY-AWEZNQCLSA-N -1 3 396.242 3.674 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1F ZINC001464271622 1064935357 /nfs/dbraw/zinc/93/53/57/1064935357.db2.gz ZSHIYYZFMFVXAE-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1noc2cc(F)ccc21 ZINC001464343282 1064963332 /nfs/dbraw/zinc/96/33/32/1064963332.db2.gz QICWLWIKPNJKQX-UHFFFAOYSA-N -1 3 389.235 3.893 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C(=O)c1ccccc1 ZINC001464369893 1064975122 /nfs/dbraw/zinc/97/51/22/1064975122.db2.gz QEOLCTBOWGGUIC-MRXNPFEDSA-N -1 3 386.498 3.750 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3ncn(C(C)C)c3c2)c(F)cc1F ZINC001464408462 1064992774 /nfs/dbraw/zinc/99/27/74/1064992774.db2.gz HPLXCXHAQOMRBY-UHFFFAOYSA-N -1 3 379.432 3.682 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC001300073611 1065199681 /nfs/dbraw/zinc/19/96/81/1065199681.db2.gz SZXGTZPEHWKPKO-HZPDHXFCSA-N -1 3 392.521 3.680 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C2CCCC2)sc1Br ZINC001464852917 1065245504 /nfs/dbraw/zinc/24/55/04/1065245504.db2.gz QELDSTILINNNBU-VXGBXAGGSA-N -1 3 378.357 3.924 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001465583692 1065729279 /nfs/dbraw/zinc/72/92/79/1065729279.db2.gz SEJUUAMOTVQTSX-HNNXBMFYSA-N -1 3 397.700 3.841 20 0 GHADHM CC[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)Oc1ccccc1F ZINC001465662355 1065777002 /nfs/dbraw/zinc/77/70/02/1065777002.db2.gz JWQBMQYMZBDCHZ-GFCCVEGCSA-N -1 3 388.826 3.908 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001465955381 1065936366 /nfs/dbraw/zinc/93/63/66/1065936366.db2.gz KHYUVQZVCZVPCK-UHFFFAOYSA-N -1 3 397.303 3.805 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2cc(Br)cc(F)c2C1 ZINC001466440447 1066156000 /nfs/dbraw/zinc/15/60/00/1066156000.db2.gz YXBIFGLPEJCDSF-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(NC(=S)NCCN2CCCCC2)cc1 ZINC001200432024 1066201780 /nfs/dbraw/zinc/20/17/80/1066201780.db2.gz BACWGGUBFLAIHP-QGZVFWFLSA-N -1 3 377.554 3.673 20 0 GHADHM [O-]c1c(Cl)cc(Br)cc1NC(=S)NCCN1CCCCC1 ZINC001200433411 1066208494 /nfs/dbraw/zinc/20/84/94/1066208494.db2.gz KFGVMBXZUNANEF-UHFFFAOYSA-N -1 3 392.750 3.580 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC001466630928 1066223232 /nfs/dbraw/zinc/22/32/32/1066223232.db2.gz DWHJMEAXRQXAMZ-MRXNPFEDSA-N -1 3 376.384 3.597 20 0 GHADHM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc2c(cc1[O-])OCO2 ZINC001466930230 1066397341 /nfs/dbraw/zinc/39/73/41/1066397341.db2.gz NZFSNOWMZYGLNM-UHFFFAOYSA-N -1 3 397.324 3.740 20 0 GHADHM CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1)C1CCCC1 ZINC001357891853 1067321294 /nfs/dbraw/zinc/32/12/94/1067321294.db2.gz NJVJZTPGQIJJJG-UHFFFAOYSA-N -1 3 378.480 3.566 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001467702977 1067429150 /nfs/dbraw/zinc/42/91/50/1067429150.db2.gz TUAPIUVTRUSTQM-OLZOCXBDSA-N -1 3 380.510 3.632 20 0 GHADHM O=C(NCc1sccc1Br)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001467720238 1067437044 /nfs/dbraw/zinc/43/70/44/1067437044.db2.gz KMJLEODWRRLDCL-UHFFFAOYSA-N -1 3 399.216 3.560 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874346 1067510898 /nfs/dbraw/zinc/51/08/98/1067510898.db2.gz OZTJDRQOYHHACM-CVEARBPZSA-N -1 3 399.491 3.749 20 0 GHADHM O=C(NCCOc1ccc(Cl)c(F)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001468101340 1067596031 /nfs/dbraw/zinc/59/60/31/1067596031.db2.gz QEASWOMHHJPZBI-UHFFFAOYSA-N -1 3 395.217 3.783 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1cn(-c2ccccc2Br)nn1 ZINC001468454196 1067737701 /nfs/dbraw/zinc/73/77/01/1067737701.db2.gz DBCIBLZQQGUUBS-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001469323910 1068102595 /nfs/dbraw/zinc/10/25/95/1068102595.db2.gz PJKXIMBPGZLBSE-LLVKDONJSA-N -1 3 379.844 3.733 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001469323910 1068102601 /nfs/dbraw/zinc/10/26/01/1068102601.db2.gz PJKXIMBPGZLBSE-LLVKDONJSA-N -1 3 379.844 3.733 20 0 GHADHM CCn1cc(Br)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)n1 ZINC001360000486 1068307174 /nfs/dbraw/zinc/30/71/74/1068307174.db2.gz NBYZUSXOLMKTAW-UHFFFAOYSA-N -1 3 398.330 3.892 20 0 GHADHM CC1(C)C[C@@H](CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)C(C)(C)O1 ZINC001460266069 1068895815 /nfs/dbraw/zinc/89/58/15/1068895815.db2.gz PTJQMRJKILXGKT-LSDHHAIUSA-N -1 3 384.442 3.690 20 0 GHADHM CCOC(=O)[C@@H](CCCC(C)C)NCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001460751003 1069155941 /nfs/dbraw/zinc/15/59/41/1069155941.db2.gz UTRFZKDJMDFTQS-QGZVFWFLSA-N -1 3 375.465 3.655 20 0 GHADHM Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)cc2)nc1 ZINC001460800609 1069188647 /nfs/dbraw/zinc/18/86/47/1069188647.db2.gz JLTOSXKMPQXNEC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cc2)nc1 ZINC001460800609 1069188656 /nfs/dbraw/zinc/18/86/56/1069188656.db2.gz JLTOSXKMPQXNEC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(-c3ccccc3)s2)c([O-])c1 ZINC001470441332 1072555389 /nfs/dbraw/zinc/55/53/89/1072555389.db2.gz SGJGWEIGBWNWSY-UHFFFAOYSA-N -1 3 394.496 3.865 20 0 GHADHM CCc1cccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)OC)c1[O-] ZINC001470643698 1072665465 /nfs/dbraw/zinc/66/54/65/1072665465.db2.gz IHLMLSIRNFIVHB-HXUWFJFHSA-N -1 3 375.852 3.512 20 0 GHADHM O=C(N[C@@H](C1CCC1)C1CCCCC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001478869717 1079008697 /nfs/dbraw/zinc/00/86/97/1079008697.db2.gz JTGQPSBNDSINKJ-OAQYLSRUSA-N -1 3 399.535 3.609 20 0 GHADHM O=C(NCc1cc2c([nH]c1=O)CCCC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001471302430 1073006900 /nfs/dbraw/zinc/00/69/00/1073006900.db2.gz NEGRDIHXFCZEJJ-UHFFFAOYSA-N -1 3 388.467 3.892 20 0 GHADHM O=C(c1ccc(CSc2ccccc2)cc1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001471665048 1073172359 /nfs/dbraw/zinc/17/23/59/1073172359.db2.gz KOLRKMKOKMBZPB-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM O=C(c1ccc(CSc2ccccc2)cc1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001471665048 1073172363 /nfs/dbraw/zinc/17/23/63/1073172363.db2.gz KOLRKMKOKMBZPB-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM CC(C)(/C=C/Cl)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001471939072 1073271701 /nfs/dbraw/zinc/27/17/01/1073271701.db2.gz ISBAKQFQFBKUGM-ZHACJKMWSA-N -1 3 396.871 3.887 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472090597 1073330214 /nfs/dbraw/zinc/33/02/14/1073330214.db2.gz FXBXQPBSBGAQBE-UHFFFAOYSA-N -1 3 388.811 3.844 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472090597 1073330221 /nfs/dbraw/zinc/33/02/21/1073330221.db2.gz FXBXQPBSBGAQBE-UHFFFAOYSA-N -1 3 388.811 3.844 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472108852 1073336358 /nfs/dbraw/zinc/33/63/58/1073336358.db2.gz BACHIPYHXVQCSO-WCBMZHEXSA-N -1 3 376.766 3.512 20 0 GHADHM O=C(C[C@@H]1OCc2cc(Cl)ccc21)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288410 1073401120 /nfs/dbraw/zinc/40/11/20/1073401120.db2.gz DTUNSFDWGAQUIL-NUTKFTJISA-N -1 3 387.867 3.640 20 0 GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472289231 1073401454 /nfs/dbraw/zinc/40/14/54/1073401454.db2.gz UHGGLNKVSDYXEI-SZMVWBNQSA-N -1 3 391.471 3.945 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CCSc3ccccn3)n[n-]2)cc1 ZINC001472357766 1073443780 /nfs/dbraw/zinc/44/37/80/1073443780.db2.gz UCHVIZAGVOCRDG-UHFFFAOYSA-N -1 3 385.518 3.921 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC001472494538 1073512726 /nfs/dbraw/zinc/51/27/26/1073512726.db2.gz GAGLJCCYERGTPR-CQSZACIVSA-N -1 3 377.444 3.617 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(F)(F)Cc1ccccc1 ZINC001472549382 1073546462 /nfs/dbraw/zinc/54/64/62/1073546462.db2.gz XCNMOGANXRXXGQ-UHFFFAOYSA-N -1 3 378.766 3.647 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(NC(=O)c4ccccc4)cn3)c(=O)c2c1 ZINC001472554648 1073548893 /nfs/dbraw/zinc/54/88/93/1073548893.db2.gz CNLSKGIISRREQR-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM CC[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1cc(F)ccc1OC ZINC001472622994 1073582105 /nfs/dbraw/zinc/58/21/05/1073582105.db2.gz RNJWPENCDIMSGD-MRXNPFEDSA-N -1 3 390.361 3.835 20 0 GHADHM O=S(=O)([N-]CCNc1nc2ccc(F)cc2s1)c1ccc(Cl)s1 ZINC001472736062 1073643255 /nfs/dbraw/zinc/64/32/55/1073643255.db2.gz MBVWRSVZFKIIFY-UHFFFAOYSA-N -1 3 391.902 3.541 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCSc2cccc(Cl)c2)CC1 ZINC001473244204 1073884479 /nfs/dbraw/zinc/88/44/79/1073884479.db2.gz IRLUXJMDCWBRRW-UHFFFAOYSA-N -1 3 376.909 3.596 20 0 GHADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)n1 ZINC001473520263 1073999194 /nfs/dbraw/zinc/99/91/94/1073999194.db2.gz ULNWXERUEPVMGR-ZIAGYGMSSA-N -1 3 394.441 3.863 20 0 GHADHM CCc1cc2c(CN[C@H](C)c3ccc(OC)cc3OC)cc(=O)oc2cc1[O-] ZINC001473884560 1074190564 /nfs/dbraw/zinc/19/05/64/1074190564.db2.gz LHZVBPVDMNPBLG-CYBMUJFWSA-N -1 3 383.444 3.929 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H]1C(F)(F)F ZINC001474700361 1074523933 /nfs/dbraw/zinc/52/39/33/1074523933.db2.gz VMRFGZPQWCZGSZ-OLZOCXBDSA-N -1 3 392.393 3.666 20 0 GHADHM CCN(Cc1cc(-c2ccncc2)ccc1OC)Cc1c([O-])c(C)ncc1CO ZINC001474716884 1074531120 /nfs/dbraw/zinc/53/11/20/1074531120.db2.gz CZVXZRVKOSZSFL-UHFFFAOYSA-N -1 3 393.487 3.681 20 0 GHADHM O=S(=O)([N-]CCCCc1ccccc1)c1cccc(Br)c1F ZINC001474802420 1074569837 /nfs/dbraw/zinc/56/98/37/1074569837.db2.gz KVPVXAJHUQDLMV-UHFFFAOYSA-N -1 3 386.286 3.889 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)c1 ZINC001474825963 1074581025 /nfs/dbraw/zinc/58/10/25/1074581025.db2.gz ZGBUIOAYKVGRQP-QGZVFWFLSA-N -1 3 393.480 3.721 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)c2ccccc2)s1 ZINC001474836462 1074586225 /nfs/dbraw/zinc/58/62/25/1074586225.db2.gz XDRQRIHWSLHLHU-CQSZACIVSA-N -1 3 381.519 3.991 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)COc1cccc(C)c1 ZINC001474862127 1074597966 /nfs/dbraw/zinc/59/79/66/1074597966.db2.gz LMDHVSDYEXVZNB-CYBMUJFWSA-N -1 3 377.437 3.935 20 0 GHADHM O=S(=O)(Cc1ccno1)[N-][C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC001474966600 1074656770 /nfs/dbraw/zinc/65/67/70/1074656770.db2.gz VINXIKRREXIMSZ-KRWDZBQOSA-N -1 3 398.818 3.815 20 0 GHADHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC001475195778 1074779787 /nfs/dbraw/zinc/77/97/87/1074779787.db2.gz TVHBLRXNAUQTII-FLVLSHQESA-N -1 3 385.913 3.742 20 0 GHADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001475356872 1074846225 /nfs/dbraw/zinc/84/62/25/1074846225.db2.gz FJNBVBLSLPGATI-MGNBDDOMSA-N -1 3 392.839 3.828 20 0 GHADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC001475372435 1074852939 /nfs/dbraw/zinc/85/29/39/1074852939.db2.gz OLIVSNGASNNAAO-STQMWFEESA-N -1 3 383.819 3.595 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC1 ZINC001475379572 1074854544 /nfs/dbraw/zinc/85/45/44/1074854544.db2.gz WFYALEMBPDYQAW-GFCCVEGCSA-N -1 3 381.723 3.745 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)c2ccco2)cc1 ZINC001475398207 1074860536 /nfs/dbraw/zinc/86/05/36/1074860536.db2.gz QFNAWXLWOFRHDM-IBGZPJMESA-N -1 3 393.411 3.775 20 0 GHADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001475452876 1074880050 /nfs/dbraw/zinc/88/00/50/1074880050.db2.gz AQQMBPZNHUJVAQ-MWLCHTKSSA-N -1 3 387.420 3.677 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC001475495824 1074895058 /nfs/dbraw/zinc/89/50/58/1074895058.db2.gz UOKXYCUHUMDGCZ-XIKOKIGWSA-N -1 3 393.892 3.647 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC(F)CC1 ZINC001475537354 1074908044 /nfs/dbraw/zinc/90/80/44/1074908044.db2.gz RWRGWLULIOAXOV-XNWIYYODSA-N -1 3 399.713 3.693 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)s1 ZINC001475556607 1074913752 /nfs/dbraw/zinc/91/37/52/1074913752.db2.gz DCHBHIXEQXDEBR-CQSZACIVSA-N -1 3 381.910 3.942 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)cc1F ZINC001475593151 1074922562 /nfs/dbraw/zinc/92/25/62/1074922562.db2.gz NHAFMLBQVHRHQD-QGZVFWFLSA-N -1 3 396.915 3.812 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC3(CCC3)Oc3ccccc32)c(F)cc1F ZINC001475667090 1074996325 /nfs/dbraw/zinc/99/63/25/1074996325.db2.gz AZKQSIJHMQKWFV-MRXNPFEDSA-N -1 3 379.428 3.998 20 0 GHADHM O=S(=O)([N-]Cc1nccc2c1CCCC2)c1cnc(-c2ccccc2)s1 ZINC001475669161 1074996634 /nfs/dbraw/zinc/99/66/34/1074996634.db2.gz LNUCEGSMRVFIQY-UHFFFAOYSA-N -1 3 385.514 3.562 20 0 GHADHM CCOC(=O)[C@@H](C[C@@H](C)CC)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001475680370 1074998722 /nfs/dbraw/zinc/99/87/22/1074998722.db2.gz GLGDYRAWKGPIIG-XHDPSFHLSA-N -1 3 396.336 3.781 20 0 GHADHM COc1cc([C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc2ccccc21 ZINC001475758703 1075015650 /nfs/dbraw/zinc/01/56/50/1075015650.db2.gz XTZRUPVDMSCLCF-SHZVTRLKSA-N -1 3 398.550 3.640 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1nc(C(F)(F)F)n[n-]1 ZINC001476076209 1075080135 /nfs/dbraw/zinc/08/01/35/1075080135.db2.gz HIAAYPXDECFOLC-SSDOTTSWSA-N -1 3 384.749 3.908 20 0 GHADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1cc(F)c(F)cc1Br ZINC001608539673 1126236532 /nfs/dbraw/zinc/23/65/32/1126236532.db2.gz DLHZTSXRRCJCEQ-HNNXBMFYSA-N -1 3 388.183 3.652 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(F)cc1F ZINC000024428345 204822043 /nfs/dbraw/zinc/82/20/43/204822043.db2.gz WEZCZCRIBBRNHB-VOTSOKGWSA-N -1 3 387.791 3.817 20 0 GHADHM CCn1nc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C1CC1 ZINC000483304770 564563514 /nfs/dbraw/zinc/56/35/14/564563514.db2.gz KWCFDEVGDPXQIM-UHFFFAOYSA-N -1 3 379.258 3.570 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1ccc(C)c(C)c1 ZINC000737365589 598826013 /nfs/dbraw/zinc/82/60/13/598826013.db2.gz KUSRXBKPLKQSOO-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1ccc(C)c(C)c1 ZINC000737365589 598826015 /nfs/dbraw/zinc/82/60/15/598826015.db2.gz KUSRXBKPLKQSOO-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000735661130 598830771 /nfs/dbraw/zinc/83/07/71/598830771.db2.gz RNGDLPOHLAANID-UHFFFAOYSA-N -1 3 397.870 3.739 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000735661130 598830772 /nfs/dbraw/zinc/83/07/72/598830772.db2.gz RNGDLPOHLAANID-UHFFFAOYSA-N -1 3 397.870 3.739 20 0 GHADHM O=C(Cc1ccc(F)cc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737957918 598834729 /nfs/dbraw/zinc/83/47/29/598834729.db2.gz ANQZCELCUNXRDL-UHFFFAOYSA-N -1 3 393.447 3.593 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000737959881 598839410 /nfs/dbraw/zinc/83/94/10/598839410.db2.gz DAYUISPPEHERRE-UHFFFAOYSA-N -1 3 377.448 3.507 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000737959881 598839412 /nfs/dbraw/zinc/83/94/12/598839412.db2.gz DAYUISPPEHERRE-UHFFFAOYSA-N -1 3 377.448 3.507 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000736038306 598888088 /nfs/dbraw/zinc/88/80/88/598888088.db2.gz UCFZNZPRCAHHKG-BNOWGMLFSA-N -1 3 398.385 3.546 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000736038306 598888090 /nfs/dbraw/zinc/88/80/90/598888090.db2.gz UCFZNZPRCAHHKG-BNOWGMLFSA-N -1 3 398.385 3.546 20 0 GHADHM CCCCc1noc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000736465213 598901789 /nfs/dbraw/zinc/90/17/89/598901789.db2.gz CMRXVITYLLWWJR-UHFFFAOYSA-N -1 3 393.476 3.947 20 0 GHADHM CCCCc1noc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000736465213 598901791 /nfs/dbraw/zinc/90/17/91/598901791.db2.gz CMRXVITYLLWWJR-UHFFFAOYSA-N -1 3 393.476 3.947 20 0 GHADHM Clc1snnc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737584568 598901997 /nfs/dbraw/zinc/90/19/97/598901997.db2.gz SOLQFNBJNHMLGW-UHFFFAOYSA-N -1 3 387.881 3.726 20 0 GHADHM Clc1snnc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737584568 598901998 /nfs/dbraw/zinc/90/19/98/598901998.db2.gz SOLQFNBJNHMLGW-UHFFFAOYSA-N -1 3 387.881 3.726 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1csc2cncn21 ZINC000738209475 598905011 /nfs/dbraw/zinc/90/50/11/598905011.db2.gz OUQSSHUSLYDCDJ-UHFFFAOYSA-N -1 3 399.505 3.549 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1csc2cncn21 ZINC000738209475 598905014 /nfs/dbraw/zinc/90/50/14/598905014.db2.gz OUQSSHUSLYDCDJ-UHFFFAOYSA-N -1 3 399.505 3.549 20 0 GHADHM Cc1noc(C)c1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737534826 598905968 /nfs/dbraw/zinc/90/59/68/598905968.db2.gz MTFREIXBYAJENH-UHFFFAOYSA-N -1 3 395.448 3.522 20 0 GHADHM C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000736267526 598906526 /nfs/dbraw/zinc/90/65/26/598906526.db2.gz SRCZKTVLITZUTJ-CQSZACIVSA-N -1 3 396.520 3.927 20 0 GHADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000736353345 598907558 /nfs/dbraw/zinc/90/75/58/598907558.db2.gz WVVKJNIVMSKLRG-PWSUYJOCSA-N -1 3 391.884 3.616 20 0 GHADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000736353345 598907561 /nfs/dbraw/zinc/90/75/61/598907561.db2.gz WVVKJNIVMSKLRG-PWSUYJOCSA-N -1 3 391.884 3.616 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735922708 598912300 /nfs/dbraw/zinc/91/23/00/598912300.db2.gz IIILSYGAESUTPJ-SJORKVTESA-N -1 3 379.439 3.896 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735922708 598912301 /nfs/dbraw/zinc/91/23/01/598912301.db2.gz IIILSYGAESUTPJ-SJORKVTESA-N -1 3 379.439 3.896 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736404801 598923249 /nfs/dbraw/zinc/92/32/49/598923249.db2.gz BEMVKCXWMADPOE-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736404801 598923250 /nfs/dbraw/zinc/92/32/50/598923250.db2.gz BEMVKCXWMADPOE-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM O=C(Nc1ccc(F)cc1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738166457 598927040 /nfs/dbraw/zinc/92/70/40/598927040.db2.gz URMZGOGONDIAON-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)cc1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738166457 598927042 /nfs/dbraw/zinc/92/70/42/598927042.db2.gz URMZGOGONDIAON-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736326758 598927416 /nfs/dbraw/zinc/92/74/16/598927416.db2.gz CRVZJRSXYSACNJ-GJZGRUSLSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736326758 598927418 /nfs/dbraw/zinc/92/74/18/598927418.db2.gz CRVZJRSXYSACNJ-GJZGRUSLSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](c1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)o1)c1ccccc1 ZINC000736396886 598941230 /nfs/dbraw/zinc/94/12/30/598941230.db2.gz PPNSJYHFZLYDTF-GFCCVEGCSA-N -1 3 399.867 3.991 20 0 GHADHM CC[C@@H](c1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)o1)c1ccccc1 ZINC000736396886 598941232 /nfs/dbraw/zinc/94/12/32/598941232.db2.gz PPNSJYHFZLYDTF-GFCCVEGCSA-N -1 3 399.867 3.991 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736400781 598942364 /nfs/dbraw/zinc/94/23/64/598942364.db2.gz SAACBWLBEXARQK-HOCLYGCPSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736362451 598944254 /nfs/dbraw/zinc/94/42/54/598944254.db2.gz JDFONTBYJNIUCS-MRXNPFEDSA-N -1 3 389.431 3.505 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736362451 598944256 /nfs/dbraw/zinc/94/42/56/598944256.db2.gz JDFONTBYJNIUCS-MRXNPFEDSA-N -1 3 389.431 3.505 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1sccc1-c1nnn[n-]1 ZINC000737997490 598944572 /nfs/dbraw/zinc/94/45/72/598944572.db2.gz WIAURRNBSAAHJZ-KRWDZBQOSA-N -1 3 393.447 3.781 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1sccc1-c1nn[n-]n1 ZINC000737997490 598944573 /nfs/dbraw/zinc/94/45/73/598944573.db2.gz WIAURRNBSAAHJZ-KRWDZBQOSA-N -1 3 393.447 3.781 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000736713820 598961229 /nfs/dbraw/zinc/96/12/29/598961229.db2.gz SOFYKMZQQMWBKO-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000735906736 598965447 /nfs/dbraw/zinc/96/54/47/598965447.db2.gz VECBJMCZILHHQZ-OAHLLOKOSA-N -1 3 386.500 3.944 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000735906736 598965448 /nfs/dbraw/zinc/96/54/48/598965448.db2.gz VECBJMCZILHHQZ-OAHLLOKOSA-N -1 3 386.500 3.944 20 0 GHADHM C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736139239 598968775 /nfs/dbraw/zinc/96/87/75/598968775.db2.gz PPRZTPUPOKQFJV-SECBINFHSA-N -1 3 391.826 3.513 20 0 GHADHM CC[C@H]1CCCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736399417 598977495 /nfs/dbraw/zinc/97/74/95/598977495.db2.gz GISSKFDTPKROQR-IBGZPJMESA-N -1 3 391.475 3.850 20 0 GHADHM CC[C@H]1CCCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736399417 598977496 /nfs/dbraw/zinc/97/74/96/598977496.db2.gz GISSKFDTPKROQR-IBGZPJMESA-N -1 3 391.475 3.850 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736365524 598997014 /nfs/dbraw/zinc/99/70/14/598997014.db2.gz XAYHKEBXFDEFAF-LJQANCHMSA-N -1 3 379.464 3.610 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)[C@H](C)C(C)C ZINC000736508048 598998287 /nfs/dbraw/zinc/99/82/87/598998287.db2.gz IPAJKOFBFLYOJR-MRXNPFEDSA-N -1 3 393.491 3.952 20 0 GHADHM Cc1nc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000737476327 599016977 /nfs/dbraw/zinc/01/69/77/599016977.db2.gz BNDHOHXJVZIHDW-UHFFFAOYSA-N -1 3 392.444 3.732 20 0 GHADHM CCC1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736409718 599023174 /nfs/dbraw/zinc/02/31/74/599023174.db2.gz MVORYUMFWOLHEP-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CCC1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736409718 599023175 /nfs/dbraw/zinc/02/31/75/599023175.db2.gz MVORYUMFWOLHEP-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM O=C(O[C@@H]1CCc2cc(Br)ccc21)c1sccc1-c1nnn[n-]1 ZINC000738217979 599027229 /nfs/dbraw/zinc/02/72/29/599027229.db2.gz BULHIJJNAIUXJG-GFCCVEGCSA-N -1 3 391.250 3.535 20 0 GHADHM O=C(Oc1ccc2ccc(C(F)(F)F)nc2c1)c1sccc1-c1nnn[n-]1 ZINC000738246705 599027530 /nfs/dbraw/zinc/02/75/30/599027530.db2.gz JYTHPYKEACQGSE-UHFFFAOYSA-N -1 3 391.334 3.714 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c2ccccn12 ZINC000737467898 599033366 /nfs/dbraw/zinc/03/33/66/599033366.db2.gz JKWFFMULODIENL-UHFFFAOYSA-N -1 3 396.410 3.709 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c2ccccn12 ZINC000737467898 599033367 /nfs/dbraw/zinc/03/33/67/599033367.db2.gz JKWFFMULODIENL-UHFFFAOYSA-N -1 3 396.410 3.709 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505816 599034798 /nfs/dbraw/zinc/03/47/98/599034798.db2.gz SFVSSNJMCJABPZ-HNNXBMFYSA-N -1 3 388.475 3.809 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505816 599034801 /nfs/dbraw/zinc/03/48/01/599034801.db2.gz SFVSSNJMCJABPZ-HNNXBMFYSA-N -1 3 388.475 3.809 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000819933594 599056218 /nfs/dbraw/zinc/05/62/18/599056218.db2.gz XCUDSKIJPKSMTP-INIZCTEOSA-N -1 3 398.442 3.684 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000819933594 599056221 /nfs/dbraw/zinc/05/62/21/599056221.db2.gz XCUDSKIJPKSMTP-INIZCTEOSA-N -1 3 398.442 3.684 20 0 GHADHM Fc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737648121 599057242 /nfs/dbraw/zinc/05/72/42/599057242.db2.gz HRCJANCLFJXGKX-CYBMUJFWSA-N -1 3 396.323 3.900 20 0 GHADHM Fc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737648121 599057245 /nfs/dbraw/zinc/05/72/45/599057245.db2.gz HRCJANCLFJXGKX-CYBMUJFWSA-N -1 3 396.323 3.900 20 0 GHADHM CN(C)[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736760201 599058308 /nfs/dbraw/zinc/05/83/08/599058308.db2.gz QJZBHSGBWZPIIC-HNNXBMFYSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736760201 599058310 /nfs/dbraw/zinc/05/83/10/599058310.db2.gz QJZBHSGBWZPIIC-HNNXBMFYSA-N -1 3 378.814 3.513 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000736113019 599062488 /nfs/dbraw/zinc/06/24/88/599062488.db2.gz WBRIOJDHLHHXCS-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000736113019 599062492 /nfs/dbraw/zinc/06/24/92/599062492.db2.gz WBRIOJDHLHHXCS-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000735496696 599062624 /nfs/dbraw/zinc/06/26/24/599062624.db2.gz HMQWAOKMAICLNZ-NSHDSACASA-N -1 3 387.440 3.517 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000735496696 599062626 /nfs/dbraw/zinc/06/26/26/599062626.db2.gz HMQWAOKMAICLNZ-NSHDSACASA-N -1 3 387.440 3.517 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736244274 599070502 /nfs/dbraw/zinc/07/05/02/599070502.db2.gz GEWJWYGGUOVXPC-UKRRQHHQSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736244274 599070505 /nfs/dbraw/zinc/07/05/05/599070505.db2.gz GEWJWYGGUOVXPC-UKRRQHHQSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000736244265 599070725 /nfs/dbraw/zinc/07/07/25/599070725.db2.gz GELWSLLZQCZTEI-SWLSCSKDSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000736244265 599070728 /nfs/dbraw/zinc/07/07/28/599070728.db2.gz GELWSLLZQCZTEI-SWLSCSKDSA-N -1 3 381.402 3.584 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000736479916 599070766 /nfs/dbraw/zinc/07/07/66/599070766.db2.gz MBTRTMCHBVACCB-SJLPKXTDSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000736479916 599070769 /nfs/dbraw/zinc/07/07/69/599070769.db2.gz MBTRTMCHBVACCB-SJLPKXTDSA-N -1 3 397.429 3.687 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000821345996 599072086 /nfs/dbraw/zinc/07/20/86/599072086.db2.gz BURXPXCWZNIRSN-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000821345996 599072088 /nfs/dbraw/zinc/07/20/88/599072088.db2.gz BURXPXCWZNIRSN-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000736670754 599073038 /nfs/dbraw/zinc/07/30/38/599073038.db2.gz QLMVQUYWUBQTGG-VXGBXAGGSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000736670754 599073040 /nfs/dbraw/zinc/07/30/40/599073040.db2.gz QLMVQUYWUBQTGG-VXGBXAGGSA-N -1 3 389.431 3.819 20 0 GHADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736358429 599076935 /nfs/dbraw/zinc/07/69/35/599076935.db2.gz UJPZDQIRMYVBQM-IQGVVSCOSA-N -1 3 375.476 3.753 20 0 GHADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736358429 599076938 /nfs/dbraw/zinc/07/69/38/599076938.db2.gz UJPZDQIRMYVBQM-IQGVVSCOSA-N -1 3 375.476 3.753 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)[C@@H]1C ZINC000736267981 599082537 /nfs/dbraw/zinc/08/25/37/599082537.db2.gz VMMCVLOFPGJHPY-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)[C@@H]1C ZINC000736267981 599082540 /nfs/dbraw/zinc/08/25/40/599082540.db2.gz VMMCVLOFPGJHPY-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000736685041 599085061 /nfs/dbraw/zinc/08/50/61/599085061.db2.gz JZJWEIZIEXZUBJ-RHSMWYFYSA-N -1 3 395.463 3.543 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000736685041 599085064 /nfs/dbraw/zinc/08/50/64/599085064.db2.gz JZJWEIZIEXZUBJ-RHSMWYFYSA-N -1 3 395.463 3.543 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820281925 599097596 /nfs/dbraw/zinc/09/75/96/599097596.db2.gz ZJNPQDRUSGPMJK-MRVPVSSYSA-N -1 3 384.312 3.774 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820281925 599097599 /nfs/dbraw/zinc/09/75/99/599097599.db2.gz ZJNPQDRUSGPMJK-MRVPVSSYSA-N -1 3 384.312 3.774 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000737100631 599109944 /nfs/dbraw/zinc/10/99/44/599109944.db2.gz YRWDGYDVLQIZJS-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000737100631 599109945 /nfs/dbraw/zinc/10/99/45/599109945.db2.gz YRWDGYDVLQIZJS-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CC[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736366071 599110223 /nfs/dbraw/zinc/11/02/23/599110223.db2.gz YEDBCJJNIDCNGK-HNNXBMFYSA-N -1 3 387.896 3.880 20 0 GHADHM CC[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736366071 599110225 /nfs/dbraw/zinc/11/02/25/599110225.db2.gz YEDBCJJNIDCNGK-HNNXBMFYSA-N -1 3 387.896 3.880 20 0 GHADHM CCO[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCCC2 ZINC000736615495 599119980 /nfs/dbraw/zinc/11/99/80/599119980.db2.gz YIBHZZSKLJVCNW-ZIAGYGMSSA-N -1 3 396.417 3.820 20 0 GHADHM CCO[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCCC2 ZINC000736615495 599119983 /nfs/dbraw/zinc/11/99/83/599119983.db2.gz YIBHZZSKLJVCNW-ZIAGYGMSSA-N -1 3 396.417 3.820 20 0 GHADHM CCc1cnc(CSc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)o1 ZINC000821499925 599123553 /nfs/dbraw/zinc/12/35/53/599123553.db2.gz WRRTZDRLHRUSGH-UHFFFAOYSA-N -1 3 394.460 3.853 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1Cl ZINC000821649680 599125301 /nfs/dbraw/zinc/12/53/01/599125301.db2.gz BCIZJFYDCBIJPN-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1Cl ZINC000821649680 599125303 /nfs/dbraw/zinc/12/53/03/599125303.db2.gz BCIZJFYDCBIJPN-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCSc1ccc(C)c(C)c1 ZINC000822271249 599128496 /nfs/dbraw/zinc/12/84/96/599128496.db2.gz SVKWFKCCANMCSQ-UHFFFAOYSA-N -1 3 391.504 3.843 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCSc1ccc(C)c(C)c1 ZINC000822271249 599128498 /nfs/dbraw/zinc/12/84/98/599128498.db2.gz SVKWFKCCANMCSQ-UHFFFAOYSA-N -1 3 391.504 3.843 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000822216431 599149495 /nfs/dbraw/zinc/14/94/95/599149495.db2.gz OLJFIBFSQIFNKJ-SECBINFHSA-N -1 3 392.282 3.741 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000822216431 599149497 /nfs/dbraw/zinc/14/94/97/599149497.db2.gz OLJFIBFSQIFNKJ-SECBINFHSA-N -1 3 392.282 3.741 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C/C1CC1 ZINC000822206248 599153182 /nfs/dbraw/zinc/15/31/82/599153182.db2.gz ZUPXIENUCZXUPA-IZZDOVSWSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C/C1CC1 ZINC000822206248 599153185 /nfs/dbraw/zinc/15/31/85/599153185.db2.gz ZUPXIENUCZXUPA-IZZDOVSWSA-N -1 3 377.423 3.814 20 0 GHADHM Brc1cccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000735368404 599158129 /nfs/dbraw/zinc/15/81/29/599158129.db2.gz LONRTEUSLBLNJH-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233493 599162082 /nfs/dbraw/zinc/16/20/82/599162082.db2.gz PYOYVFNMPREHFX-SFTDATJTSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233493 599162084 /nfs/dbraw/zinc/16/20/84/599162084.db2.gz PYOYVFNMPREHFX-SFTDATJTSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737348434 599167130 /nfs/dbraw/zinc/16/71/30/599167130.db2.gz YXHMSNVVRRDYCM-SNVBAGLBSA-N -1 3 375.404 3.573 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737348434 599167133 /nfs/dbraw/zinc/16/71/33/599167133.db2.gz YXHMSNVVRRDYCM-SNVBAGLBSA-N -1 3 375.404 3.573 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736099661 599170539 /nfs/dbraw/zinc/17/05/39/599170539.db2.gz JWLWJAQEXYHAQW-UGSOOPFHSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736099661 599170541 /nfs/dbraw/zinc/17/05/41/599170541.db2.gz JWLWJAQEXYHAQW-UGSOOPFHSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)[nH]c2c1 ZINC000819959053 599175350 /nfs/dbraw/zinc/17/53/50/599175350.db2.gz WNELIVKMMKTSIO-UHFFFAOYSA-N -1 3 392.438 3.715 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)[nH]c2c1 ZINC000819959053 599175352 /nfs/dbraw/zinc/17/53/52/599175352.db2.gz WNELIVKMMKTSIO-UHFFFAOYSA-N -1 3 392.438 3.715 20 0 GHADHM CCCc1ncc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)s1 ZINC000736494716 599177169 /nfs/dbraw/zinc/17/71/69/599177169.db2.gz FBHPSJWWMAVJPX-UHFFFAOYSA-N -1 3 397.489 3.652 20 0 GHADHM CCCc1ncc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)s1 ZINC000736494716 599177172 /nfs/dbraw/zinc/17/71/72/599177172.db2.gz FBHPSJWWMAVJPX-UHFFFAOYSA-N -1 3 397.489 3.652 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112205 599181458 /nfs/dbraw/zinc/18/14/58/599181458.db2.gz MTPLVEMFEQGVSI-JKSUJKDBSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112205 599181460 /nfs/dbraw/zinc/18/14/60/599181460.db2.gz MTPLVEMFEQGVSI-JKSUJKDBSA-N -1 3 388.258 3.593 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735560310 599186368 /nfs/dbraw/zinc/18/63/68/599186368.db2.gz PVHGWLYAIFKWAX-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735560310 599186370 /nfs/dbraw/zinc/18/63/70/599186370.db2.gz PVHGWLYAIFKWAX-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM O=C(Nc1cnoc1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738197623 599196541 /nfs/dbraw/zinc/19/65/41/599196541.db2.gz LXSHPMFHUJCEMA-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000822955143 599205127 /nfs/dbraw/zinc/20/51/27/599205127.db2.gz JQILJWPJQMFHDV-IBGZPJMESA-N -1 3 395.438 3.529 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000822955143 599205130 /nfs/dbraw/zinc/20/51/30/599205130.db2.gz JQILJWPJQMFHDV-IBGZPJMESA-N -1 3 395.438 3.529 20 0 GHADHM CSc1ccc(CSCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821984085 599223991 /nfs/dbraw/zinc/22/39/91/599223991.db2.gz LXVGRBDIYMARBK-UHFFFAOYSA-N -1 3 385.518 3.851 20 0 GHADHM CSc1ccc(CSCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821984085 599223993 /nfs/dbraw/zinc/22/39/93/599223993.db2.gz LXVGRBDIYMARBK-UHFFFAOYSA-N -1 3 385.518 3.851 20 0 GHADHM C[C@H](SCCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548606 599225345 /nfs/dbraw/zinc/22/53/45/599225345.db2.gz CYYSCZZRBJMNPS-NSHDSACASA-N -1 3 389.431 3.968 20 0 GHADHM C[C@H](SCCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548606 599225348 /nfs/dbraw/zinc/22/53/48/599225348.db2.gz CYYSCZZRBJMNPS-NSHDSACASA-N -1 3 389.431 3.968 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351426 599232832 /nfs/dbraw/zinc/23/28/32/599232832.db2.gz GDCVHMFDTYGPDI-FQEVSTJZSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351426 599232834 /nfs/dbraw/zinc/23/28/34/599232834.db2.gz GDCVHMFDTYGPDI-FQEVSTJZSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736353720 599233016 /nfs/dbraw/zinc/23/30/16/599233016.db2.gz QJEKNZXWEWLCOF-QQBSYFJQSA-N -1 3 375.476 3.668 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736353720 599233018 /nfs/dbraw/zinc/23/30/18/599233018.db2.gz QJEKNZXWEWLCOF-QQBSYFJQSA-N -1 3 375.476 3.668 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000820174859 607262870 /nfs/dbraw/zinc/26/28/70/607262870.db2.gz ZMIFKYFSPWDDOY-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000820174859 607262871 /nfs/dbraw/zinc/26/28/71/607262871.db2.gz ZMIFKYFSPWDDOY-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403715 599237847 /nfs/dbraw/zinc/23/78/47/599237847.db2.gz LQSXYIGUYQKBJN-JTQLQIEISA-N -1 3 392.410 3.933 20 0 GHADHM C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403715 599237850 /nfs/dbraw/zinc/23/78/50/599237850.db2.gz LQSXYIGUYQKBJN-JTQLQIEISA-N -1 3 392.410 3.933 20 0 GHADHM Cc1c(NC(=O)c2ccc(N(C)c3ccccc3)nc2)cccc1-c1nnn[n-]1 ZINC000822110106 607270818 /nfs/dbraw/zinc/27/08/18/607270818.db2.gz VSDASFOMOFWXPP-UHFFFAOYSA-N -1 3 385.431 3.590 20 0 GHADHM Cc1c(NC(=O)c2ccc(N(C)c3ccccc3)nc2)cccc1-c1nn[n-]n1 ZINC000822110106 607270819 /nfs/dbraw/zinc/27/08/19/607270819.db2.gz VSDASFOMOFWXPP-UHFFFAOYSA-N -1 3 385.431 3.590 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000736480460 599247638 /nfs/dbraw/zinc/24/76/38/599247638.db2.gz PJBPOGJWSCBFOP-GOSISDBHSA-N -1 3 391.475 3.562 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000736480460 599247640 /nfs/dbraw/zinc/24/76/40/599247640.db2.gz PJBPOGJWSCBFOP-GOSISDBHSA-N -1 3 391.475 3.562 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000737188569 599247747 /nfs/dbraw/zinc/24/77/47/599247747.db2.gz CBUATISJRCABKU-IACUBPJLSA-N -1 3 398.536 3.560 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822084685 607281432 /nfs/dbraw/zinc/28/14/32/607281432.db2.gz NQABICFEWOUJDH-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822084685 607281433 /nfs/dbraw/zinc/28/14/33/607281433.db2.gz NQABICFEWOUJDH-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821153917 607288829 /nfs/dbraw/zinc/28/88/29/607288829.db2.gz HFSYQBSHAUMVAR-AWEZNQCLSA-N -1 3 394.479 3.669 20 0 GHADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821153917 607288830 /nfs/dbraw/zinc/28/88/30/607288830.db2.gz HFSYQBSHAUMVAR-AWEZNQCLSA-N -1 3 394.479 3.669 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(C(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822105055 607283540 /nfs/dbraw/zinc/28/35/40/607283540.db2.gz UGTYBFOZNRKOGZ-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(C(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822105055 607283541 /nfs/dbraw/zinc/28/35/41/607283541.db2.gz UGTYBFOZNRKOGZ-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM CC(C)COc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820103288 599256510 /nfs/dbraw/zinc/25/65/10/599256510.db2.gz SRCYHRJZCVVWQH-AWEZNQCLSA-N -1 3 380.452 3.784 20 0 GHADHM CC(C)COc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820103288 599256512 /nfs/dbraw/zinc/25/65/12/599256512.db2.gz SRCYHRJZCVVWQH-AWEZNQCLSA-N -1 3 380.452 3.784 20 0 GHADHM Cc1c(NC(=O)NCCc2csc3ccccc23)cccc1-c1nnn[n-]1 ZINC000822105966 607285311 /nfs/dbraw/zinc/28/53/11/607285311.db2.gz ZMGJVXCZOQXQOL-UHFFFAOYSA-N -1 3 378.461 3.754 20 0 GHADHM Cc1c(NC(=O)NCCc2csc3ccccc23)cccc1-c1nn[n-]n1 ZINC000822105966 607285312 /nfs/dbraw/zinc/28/53/12/607285312.db2.gz ZMGJVXCZOQXQOL-UHFFFAOYSA-N -1 3 378.461 3.754 20 0 GHADHM CCCCOc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821077801 599257570 /nfs/dbraw/zinc/25/75/70/599257570.db2.gz UHZBYENTUXZMOD-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCCCOc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821077801 599257571 /nfs/dbraw/zinc/25/75/71/599257571.db2.gz UHZBYENTUXZMOD-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCc1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)n1 ZINC000821499052 607290318 /nfs/dbraw/zinc/29/03/18/607290318.db2.gz CDQLBXZJTUVASE-ZDUSSCGKSA-N -1 3 397.508 3.606 20 0 GHADHM CCc1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)n1 ZINC000821499052 607290319 /nfs/dbraw/zinc/29/03/19/607290319.db2.gz CDQLBXZJTUVASE-ZDUSSCGKSA-N -1 3 397.508 3.606 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351626 599259401 /nfs/dbraw/zinc/25/94/01/599259401.db2.gz QISZHNIMMIUAPV-KUHUBIRLSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351626 599259403 /nfs/dbraw/zinc/25/94/03/599259403.db2.gz QISZHNIMMIUAPV-KUHUBIRLSA-N -1 3 396.470 3.633 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000822234709 599265266 /nfs/dbraw/zinc/26/52/66/599265266.db2.gz FEAVLHLSMFSLJL-CYBMUJFWSA-N -1 3 398.467 3.698 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000822234709 599265269 /nfs/dbraw/zinc/26/52/69/599265269.db2.gz FEAVLHLSMFSLJL-CYBMUJFWSA-N -1 3 398.467 3.698 20 0 GHADHM COc1ccc(CNc2ccc(N3CCCC3)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821217 607315017 /nfs/dbraw/zinc/31/50/17/607315017.db2.gz BYFYKPKNZZLQCM-UHFFFAOYSA-N -1 3 384.871 3.741 20 0 GHADHM COc1ccc(CNc2ccc(N3CCCC3)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821217 607315018 /nfs/dbraw/zinc/31/50/18/607315018.db2.gz BYFYKPKNZZLQCM-UHFFFAOYSA-N -1 3 384.871 3.741 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000822220310 599270920 /nfs/dbraw/zinc/27/09/20/599270920.db2.gz LONBFTYSTIMJDN-UHFFFAOYSA-N -1 3 376.342 3.924 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000822220310 599270922 /nfs/dbraw/zinc/27/09/22/599270922.db2.gz LONBFTYSTIMJDN-UHFFFAOYSA-N -1 3 376.342 3.924 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823331528 599282839 /nfs/dbraw/zinc/28/28/39/599282839.db2.gz FBIMZQRHGUFNFP-CYBMUJFWSA-N -1 3 398.467 3.652 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823331528 599282841 /nfs/dbraw/zinc/28/28/41/599282841.db2.gz FBIMZQRHGUFNFP-CYBMUJFWSA-N -1 3 398.467 3.652 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000822208171 599284449 /nfs/dbraw/zinc/28/44/49/599284449.db2.gz DZEZYPWQEYGODT-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000822208171 599284451 /nfs/dbraw/zinc/28/44/51/599284451.db2.gz DZEZYPWQEYGODT-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM COCCn1c2ccccc2nc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737015956 599285695 /nfs/dbraw/zinc/28/56/95/599285695.db2.gz HQEJFGMMAUKAHP-ZDUSSCGKSA-N -1 3 380.477 3.716 20 0 GHADHM COCCn1c2ccccc2nc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737015956 599285699 /nfs/dbraw/zinc/28/56/99/599285699.db2.gz HQEJFGMMAUKAHP-ZDUSSCGKSA-N -1 3 380.477 3.716 20 0 GHADHM COc1cccc(-n2ccnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737120913 599288384 /nfs/dbraw/zinc/28/83/84/599288384.db2.gz JTHXKNPCINIXLM-ZDUSSCGKSA-N -1 3 378.461 3.914 20 0 GHADHM COc1cccc(-n2ccnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737120913 599288386 /nfs/dbraw/zinc/28/83/86/599288386.db2.gz JTHXKNPCINIXLM-ZDUSSCGKSA-N -1 3 378.461 3.914 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000822718484 607331428 /nfs/dbraw/zinc/33/14/28/607331428.db2.gz JRODFGGQXYIQEB-GFCCVEGCSA-N -1 3 399.442 3.742 20 0 GHADHM Cc1cscc1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826320923 607338835 /nfs/dbraw/zinc/33/88/35/607338835.db2.gz KJLQWUYKVFALDE-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM Cc1cscc1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826320923 607338836 /nfs/dbraw/zinc/33/88/36/607338836.db2.gz KJLQWUYKVFALDE-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)c2c[nH]cc2C)cc1 ZINC000737032711 598231781 /nfs/dbraw/zinc/23/17/81/598231781.db2.gz OMEANHMNMJUQDP-UHFFFAOYSA-N -1 3 390.403 3.556 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)c2c[nH]cc2C)cc1 ZINC000737032711 598231782 /nfs/dbraw/zinc/23/17/82/598231782.db2.gz OMEANHMNMJUQDP-UHFFFAOYSA-N -1 3 390.403 3.556 20 0 GHADHM Cc1ncc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000737490199 598232173 /nfs/dbraw/zinc/23/21/73/598232173.db2.gz RIKDDVZOWBOLIE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737490199 598232174 /nfs/dbraw/zinc/23/21/74/598232174.db2.gz RIKDDVZOWBOLIE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(COC1CCCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737915067 598232556 /nfs/dbraw/zinc/23/25/56/598232556.db2.gz DZZLPWYUVQITLG-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(COC1CCCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737915067 598232558 /nfs/dbraw/zinc/23/25/58/598232558.db2.gz DZZLPWYUVQITLG-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925598 598235796 /nfs/dbraw/zinc/23/57/96/598235796.db2.gz VSGHZWFHFRWESQ-LJQANCHMSA-N -1 3 397.866 3.557 20 0 GHADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925598 598235797 /nfs/dbraw/zinc/23/57/97/598235797.db2.gz VSGHZWFHFRWESQ-LJQANCHMSA-N -1 3 397.866 3.557 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736798280 598248264 /nfs/dbraw/zinc/24/82/64/598248264.db2.gz SJONOQWDTFLHGY-UHFFFAOYSA-N -1 3 378.411 3.730 20 0 GHADHM O=C(CNc1cccc(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737898320 598250589 /nfs/dbraw/zinc/25/05/89/598250589.db2.gz IFGKJJHUHSRJFO-UHFFFAOYSA-N -1 3 378.770 3.508 20 0 GHADHM O=C(CNc1cccc(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737898320 598250591 /nfs/dbraw/zinc/25/05/91/598250591.db2.gz IFGKJJHUHSRJFO-UHFFFAOYSA-N -1 3 378.770 3.508 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)c1Cl ZINC000737222287 598272822 /nfs/dbraw/zinc/27/28/22/598272822.db2.gz WHSRDTDQXTVBMW-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)c1Cl ZINC000737222287 598272823 /nfs/dbraw/zinc/27/28/23/598272823.db2.gz WHSRDTDQXTVBMW-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1nc(C)cs1 ZINC000736363088 598273214 /nfs/dbraw/zinc/27/32/14/598273214.db2.gz MKBRAKFSIJUWLN-INIZCTEOSA-N -1 3 399.524 3.703 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1nc(C)cs1 ZINC000736363088 598273216 /nfs/dbraw/zinc/27/32/16/598273216.db2.gz MKBRAKFSIJUWLN-INIZCTEOSA-N -1 3 399.524 3.703 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737408668 598273333 /nfs/dbraw/zinc/27/33/33/598273333.db2.gz JOMFRTCVPPWDEX-HXUWFJFHSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737408668 598273335 /nfs/dbraw/zinc/27/33/35/598273335.db2.gz JOMFRTCVPPWDEX-HXUWFJFHSA-N -1 3 388.475 3.537 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(Cl)c1 ZINC000736114401 598274621 /nfs/dbraw/zinc/27/46/21/598274621.db2.gz CEQLUTFAGBXELV-LLVKDONJSA-N -1 3 387.875 3.959 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(Cl)c1 ZINC000736114401 598274622 /nfs/dbraw/zinc/27/46/22/598274622.db2.gz CEQLUTFAGBXELV-LLVKDONJSA-N -1 3 387.875 3.959 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737379526 598280186 /nfs/dbraw/zinc/28/01/86/598280186.db2.gz YYIRVAMMAREWMJ-INIZCTEOSA-N -1 3 379.468 3.541 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737379526 598280188 /nfs/dbraw/zinc/28/01/88/598280188.db2.gz YYIRVAMMAREWMJ-INIZCTEOSA-N -1 3 379.468 3.541 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)OCc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000737119786 598281970 /nfs/dbraw/zinc/28/19/70/598281970.db2.gz GDBQFFPEQPBTBR-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)OCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000737119786 598281971 /nfs/dbraw/zinc/28/19/71/598281971.db2.gz GDBQFFPEQPBTBR-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM CCCCCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736450748 598284808 /nfs/dbraw/zinc/28/48/08/598284808.db2.gz GAHBMJJBNLFGLZ-HNNXBMFYSA-N -1 3 394.479 3.766 20 0 GHADHM CCCCCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736450748 598284809 /nfs/dbraw/zinc/28/48/09/598284809.db2.gz GAHBMJJBNLFGLZ-HNNXBMFYSA-N -1 3 394.479 3.766 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736425244 598284973 /nfs/dbraw/zinc/28/49/73/598284973.db2.gz UJJXZSXZZHGAON-HUUCEWRRSA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736425244 598284974 /nfs/dbraw/zinc/28/49/74/598284974.db2.gz UJJXZSXZZHGAON-HUUCEWRRSA-N -1 3 394.479 3.764 20 0 GHADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C2CCCCC2)cc1 ZINC000738331481 598290971 /nfs/dbraw/zinc/29/09/71/598290971.db2.gz SSJMPXQTKZYGAF-UHFFFAOYSA-N -1 3 382.489 3.888 20 0 GHADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C2CCCCC2)cc1 ZINC000738331481 598290972 /nfs/dbraw/zinc/29/09/72/598290972.db2.gz SSJMPXQTKZYGAF-UHFFFAOYSA-N -1 3 382.489 3.888 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735736352 598298469 /nfs/dbraw/zinc/29/84/69/598298469.db2.gz SMKPVZCNRPGMPU-GOSISDBHSA-N -1 3 399.495 3.580 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735736352 598298471 /nfs/dbraw/zinc/29/84/71/598298471.db2.gz SMKPVZCNRPGMPU-GOSISDBHSA-N -1 3 399.495 3.580 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737215312 598300078 /nfs/dbraw/zinc/30/00/78/598300078.db2.gz ZSGPBUAONSMNRS-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737215312 598300080 /nfs/dbraw/zinc/30/00/80/598300080.db2.gz ZSGPBUAONSMNRS-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000738102640 598305490 /nfs/dbraw/zinc/30/54/90/598305490.db2.gz SHRKTQYQXJRSPY-UHFFFAOYSA-N -1 3 397.797 3.849 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000738102640 598305491 /nfs/dbraw/zinc/30/54/91/598305491.db2.gz SHRKTQYQXJRSPY-UHFFFAOYSA-N -1 3 397.797 3.849 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000737640739 598311135 /nfs/dbraw/zinc/31/11/35/598311135.db2.gz ODHGBYKNTCBSKF-UHFFFAOYSA-N -1 3 398.405 3.623 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000737640739 598311137 /nfs/dbraw/zinc/31/11/37/598311137.db2.gz ODHGBYKNTCBSKF-UHFFFAOYSA-N -1 3 398.405 3.623 20 0 GHADHM S=C(NCCc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402128 598321654 /nfs/dbraw/zinc/32/16/54/598321654.db2.gz XBVIJWCJKQCUTH-UHFFFAOYSA-N -1 3 399.332 3.764 20 0 GHADHM S=C(NCCc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402128 598321656 /nfs/dbraw/zinc/32/16/56/598321656.db2.gz XBVIJWCJKQCUTH-UHFFFAOYSA-N -1 3 399.332 3.764 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736327525 598321790 /nfs/dbraw/zinc/32/17/90/598321790.db2.gz MEABULHBYNZCHV-WIDZWVOGSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736327525 598321791 /nfs/dbraw/zinc/32/17/91/598321791.db2.gz MEABULHBYNZCHV-WIDZWVOGSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736328841 598323236 /nfs/dbraw/zinc/32/32/36/598323236.db2.gz QLJREPWYGTZRKJ-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736328841 598323238 /nfs/dbraw/zinc/32/32/38/598323238.db2.gz QLJREPWYGTZRKJ-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252339 598325476 /nfs/dbraw/zinc/32/54/76/598325476.db2.gz YVXCLNMWAISOFG-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252339 598325477 /nfs/dbraw/zinc/32/54/77/598325477.db2.gz YVXCLNMWAISOFG-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1CCCc2sccc21 ZINC000823387839 607350470 /nfs/dbraw/zinc/35/04/70/607350470.db2.gz ZWJPMMZPDWIGGN-NSHDSACASA-N -1 3 385.518 3.927 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1CCCc2sccc21 ZINC000823387839 607350472 /nfs/dbraw/zinc/35/04/72/607350472.db2.gz ZWJPMMZPDWIGGN-NSHDSACASA-N -1 3 385.518 3.927 20 0 GHADHM C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736187927 598357194 /nfs/dbraw/zinc/35/71/94/598357194.db2.gz DGKDPOQOAKBJFF-NSHDSACASA-N -1 3 396.501 3.861 20 0 GHADHM C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736187927 598357196 /nfs/dbraw/zinc/35/71/96/598357196.db2.gz DGKDPOQOAKBJFF-NSHDSACASA-N -1 3 396.501 3.861 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736389711 598358890 /nfs/dbraw/zinc/35/88/90/598358890.db2.gz CUIQYKFNYZZTHW-SFHVURJKSA-N -1 3 379.464 3.811 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736389711 598358892 /nfs/dbraw/zinc/35/88/92/598358892.db2.gz CUIQYKFNYZZTHW-SFHVURJKSA-N -1 3 379.464 3.811 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1csc2ccccc21 ZINC000737064176 598372644 /nfs/dbraw/zinc/37/26/44/598372644.db2.gz VKFXFWOEKYAZIX-LLVKDONJSA-N -1 3 394.460 3.973 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1csc2ccccc21 ZINC000737064176 598372646 /nfs/dbraw/zinc/37/26/46/598372646.db2.gz VKFXFWOEKYAZIX-LLVKDONJSA-N -1 3 394.460 3.973 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736160488 598379274 /nfs/dbraw/zinc/37/92/74/598379274.db2.gz QLIFLEJAKJVNPB-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736160488 598379277 /nfs/dbraw/zinc/37/92/77/598379277.db2.gz QLIFLEJAKJVNPB-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM Clc1ccc2c(c1Cl)CCN(c1ncc(-c3nnn[n-]3)cc1Cl)C2 ZINC000737557214 598393682 /nfs/dbraw/zinc/39/36/82/598393682.db2.gz DIIUPMODGKPFRU-UHFFFAOYSA-N -1 3 381.654 3.785 20 0 GHADHM Clc1ccc2c(c1Cl)CCN(c1ncc(-c3nn[n-]n3)cc1Cl)C2 ZINC000737557214 598393683 /nfs/dbraw/zinc/39/36/83/598393683.db2.gz DIIUPMODGKPFRU-UHFFFAOYSA-N -1 3 381.654 3.785 20 0 GHADHM Cc1cccc(Oc2ccccc2CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737410182 598397018 /nfs/dbraw/zinc/39/70/18/598397018.db2.gz GEJPXGYNKMNLDT-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM Cc1cccc(Oc2ccccc2CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737410182 598397020 /nfs/dbraw/zinc/39/70/20/598397020.db2.gz GEJPXGYNKMNLDT-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000730540974 598418796 /nfs/dbraw/zinc/41/87/96/598418796.db2.gz JNKUYCWIEZIWIE-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000730540974 598418797 /nfs/dbraw/zinc/41/87/97/598418797.db2.gz JNKUYCWIEZIWIE-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736103482 598422167 /nfs/dbraw/zinc/42/21/67/598422167.db2.gz WVHXBFFDOYDWJR-NHAQELONSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736103482 598422169 /nfs/dbraw/zinc/42/21/69/598422169.db2.gz WVHXBFFDOYDWJR-NHAQELONSA-N -1 3 375.457 3.972 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735734678 598425745 /nfs/dbraw/zinc/42/57/45/598425745.db2.gz JJHTWROIVUIOFB-KRWDZBQOSA-N -1 3 386.452 3.866 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735734678 598425747 /nfs/dbraw/zinc/42/57/47/598425747.db2.gz JJHTWROIVUIOFB-KRWDZBQOSA-N -1 3 386.452 3.866 20 0 GHADHM Cc1ccc(-c2nnc(SCCOc3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000737288747 598439862 /nfs/dbraw/zinc/43/98/62/598439862.db2.gz MZEMXJRSRTVCIA-UHFFFAOYSA-N -1 3 394.460 3.705 20 0 GHADHM Cc1ccc(-c2nnc(SCCOc3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000737288747 598439864 /nfs/dbraw/zinc/43/98/64/598439864.db2.gz MZEMXJRSRTVCIA-UHFFFAOYSA-N -1 3 394.460 3.705 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](SCc1ccccc1)C(C)C ZINC000737024025 598441356 /nfs/dbraw/zinc/44/13/56/598441356.db2.gz IYRMITUOOIIHBT-GOSISDBHSA-N -1 3 398.488 3.739 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](SCc1ccccc1)C(C)C ZINC000737024025 598441358 /nfs/dbraw/zinc/44/13/58/598441358.db2.gz IYRMITUOOIIHBT-GOSISDBHSA-N -1 3 398.488 3.739 20 0 GHADHM CC[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1c(C)noc1C ZINC000736313579 598442389 /nfs/dbraw/zinc/44/23/89/598442389.db2.gz NLOSRLJUZYHQFS-GOSISDBHSA-N -1 3 396.495 3.650 20 0 GHADHM CC[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1c(C)noc1C ZINC000736313579 598442391 /nfs/dbraw/zinc/44/23/91/598442391.db2.gz NLOSRLJUZYHQFS-GOSISDBHSA-N -1 3 396.495 3.650 20 0 GHADHM Cc1cc(C)cc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737256687 598447187 /nfs/dbraw/zinc/44/71/87/598447187.db2.gz PECRMWYHEMWBAE-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(C)cc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737256687 598447189 /nfs/dbraw/zinc/44/71/89/598447189.db2.gz PECRMWYHEMWBAE-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736187214 598450344 /nfs/dbraw/zinc/45/03/44/598450344.db2.gz GLTCPHUSJCQOCB-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736187214 598450346 /nfs/dbraw/zinc/45/03/46/598450346.db2.gz GLTCPHUSJCQOCB-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](CN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000735995699 598467630 /nfs/dbraw/zinc/46/76/30/598467630.db2.gz MWMJMFCGLQFHNR-CQSZACIVSA-N -1 3 381.484 3.691 20 0 GHADHM C[C@H](CN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000735995699 598467631 /nfs/dbraw/zinc/46/76/31/598467631.db2.gz MWMJMFCGLQFHNR-CQSZACIVSA-N -1 3 381.484 3.691 20 0 GHADHM COc1c(Cl)cccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737023791 598476453 /nfs/dbraw/zinc/47/64/53/598476453.db2.gz DOYXCUOIBMJILD-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1c(Cl)cccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737023791 598476455 /nfs/dbraw/zinc/47/64/55/598476455.db2.gz DOYXCUOIBMJILD-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737062344 598476459 /nfs/dbraw/zinc/47/64/59/598476459.db2.gz JLCXXXPKNJOGIM-MRXNPFEDSA-N -1 3 392.463 3.677 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737062344 598476461 /nfs/dbraw/zinc/47/64/61/598476461.db2.gz JLCXXXPKNJOGIM-MRXNPFEDSA-N -1 3 392.463 3.677 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1c(F)cccc1F ZINC000736113030 598477527 /nfs/dbraw/zinc/47/75/27/598477527.db2.gz WGEKGOQIPYSFOG-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1c(F)cccc1F ZINC000736113030 598477529 /nfs/dbraw/zinc/47/75/29/598477529.db2.gz WGEKGOQIPYSFOG-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000737320905 598479794 /nfs/dbraw/zinc/47/97/94/598479794.db2.gz QZLIRNTYCLMDHI-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000737320905 598479795 /nfs/dbraw/zinc/47/97/95/598479795.db2.gz QZLIRNTYCLMDHI-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737321668 598479841 /nfs/dbraw/zinc/47/98/41/598479841.db2.gz UTYSIFCWEIFXQL-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737321668 598479842 /nfs/dbraw/zinc/47/98/42/598479842.db2.gz UTYSIFCWEIFXQL-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737017508 598488471 /nfs/dbraw/zinc/48/84/71/598488471.db2.gz UUGMDTNHOBDZOK-LBPRGKRZSA-N -1 3 378.388 3.677 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737017508 598488473 /nfs/dbraw/zinc/48/84/73/598488473.db2.gz UUGMDTNHOBDZOK-LBPRGKRZSA-N -1 3 378.388 3.677 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCC1CCC(c2ccccc2)CC1 ZINC000737850869 598495501 /nfs/dbraw/zinc/49/55/01/598495501.db2.gz BDNGWMRGCSWQRE-UHFFFAOYSA-N -1 3 389.503 3.890 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCC1CCC(c2ccccc2)CC1 ZINC000737850869 598495502 /nfs/dbraw/zinc/49/55/02/598495502.db2.gz BDNGWMRGCSWQRE-UHFFFAOYSA-N -1 3 389.503 3.890 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000737962001 598495642 /nfs/dbraw/zinc/49/56/42/598495642.db2.gz MOLXNGNCQOKRMY-HSZRJFAPSA-N -1 3 395.466 3.584 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000737962001 598495643 /nfs/dbraw/zinc/49/56/43/598495643.db2.gz MOLXNGNCQOKRMY-HSZRJFAPSA-N -1 3 395.466 3.584 20 0 GHADHM Cc1sc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(-c2nnn[n-]2)c1C ZINC000737563558 598505758 /nfs/dbraw/zinc/50/57/58/598505758.db2.gz NCICRSMHXNJBKV-UHFFFAOYSA-N -1 3 389.391 3.611 20 0 GHADHM Cc1sc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(-c2nn[n-]n2)c1C ZINC000737563558 598505760 /nfs/dbraw/zinc/50/57/60/598505760.db2.gz NCICRSMHXNJBKV-UHFFFAOYSA-N -1 3 389.391 3.611 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000737649175 598512004 /nfs/dbraw/zinc/51/20/04/598512004.db2.gz KURMUHZUKMIRHZ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000737649175 598512006 /nfs/dbraw/zinc/51/20/06/598512006.db2.gz KURMUHZUKMIRHZ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc3ccccc3c(OC)n2)c1-c1nnn[n-]1 ZINC000736677080 598513917 /nfs/dbraw/zinc/51/39/17/598513917.db2.gz ZCDITKKKLGXBTF-UHFFFAOYSA-N -1 3 394.460 3.608 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc3ccccc3c(OC)n2)c1-c1nn[n-]n1 ZINC000736677080 598513919 /nfs/dbraw/zinc/51/39/19/598513919.db2.gz ZCDITKKKLGXBTF-UHFFFAOYSA-N -1 3 394.460 3.608 20 0 GHADHM CCc1c(C)sc(NC(=O)c2oc(Br)cc2C)c1-c1nnn[n-]1 ZINC000736678311 598516081 /nfs/dbraw/zinc/51/60/81/598516081.db2.gz BKFRIDGKBJDBAR-UHFFFAOYSA-N -1 3 396.270 3.715 20 0 GHADHM CCc1c(C)sc(NC(=O)c2oc(Br)cc2C)c1-c1nn[n-]n1 ZINC000736678311 598516082 /nfs/dbraw/zinc/51/60/82/598516082.db2.gz BKFRIDGKBJDBAR-UHFFFAOYSA-N -1 3 396.270 3.715 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000736675803 598517322 /nfs/dbraw/zinc/51/73/22/598517322.db2.gz NXKIOJHVXNPEGJ-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000736675803 598517323 /nfs/dbraw/zinc/51/73/23/598517323.db2.gz NXKIOJHVXNPEGJ-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCc2c1cccc2Br ZINC000737557600 598523427 /nfs/dbraw/zinc/52/34/27/598523427.db2.gz GGBVYPLDVHOHPH-CYBMUJFWSA-N -1 3 391.660 3.777 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCc2c1cccc2Br ZINC000737557600 598523429 /nfs/dbraw/zinc/52/34/29/598523429.db2.gz GGBVYPLDVHOHPH-CYBMUJFWSA-N -1 3 391.660 3.777 20 0 GHADHM O=C(C=C1CCCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737791576 598544197 /nfs/dbraw/zinc/54/41/97/598544197.db2.gz KLXDQTJNHAVZPP-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM O=C(C=C1CCCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737791576 598544198 /nfs/dbraw/zinc/54/41/98/598544198.db2.gz KLXDQTJNHAVZPP-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735975596 598544747 /nfs/dbraw/zinc/54/47/47/598544747.db2.gz MYFGILHFELKZLT-SNVBAGLBSA-N -1 3 391.353 3.740 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735975596 598544748 /nfs/dbraw/zinc/54/47/48/598544748.db2.gz MYFGILHFELKZLT-SNVBAGLBSA-N -1 3 391.353 3.740 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000738191873 598549920 /nfs/dbraw/zinc/54/99/20/598549920.db2.gz MUSIGBUZNDBIHO-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000738191873 598549921 /nfs/dbraw/zinc/54/99/21/598549921.db2.gz MUSIGBUZNDBIHO-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(CCc1ccncc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737860588 598557111 /nfs/dbraw/zinc/55/71/11/598557111.db2.gz JUSYWCRGKDZUKY-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccncc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737860588 598557113 /nfs/dbraw/zinc/55/71/13/598557113.db2.gz JUSYWCRGKDZUKY-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736451474 598559891 /nfs/dbraw/zinc/55/98/91/598559891.db2.gz NZNKSAOOZDVGEE-OAHLLOKOSA-N -1 3 394.479 3.766 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736451474 598559893 /nfs/dbraw/zinc/55/98/93/598559893.db2.gz NZNKSAOOZDVGEE-OAHLLOKOSA-N -1 3 394.479 3.766 20 0 GHADHM O=C(NCc1ccco1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738123946 598561039 /nfs/dbraw/zinc/56/10/39/598561039.db2.gz JAMHHSQWNXJWCY-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM O=C(NCc1ccco1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738123946 598561041 /nfs/dbraw/zinc/56/10/41/598561041.db2.gz JAMHHSQWNXJWCY-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM CN(CCC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736792205 598562138 /nfs/dbraw/zinc/56/21/38/598562138.db2.gz LJSHEIRLOTXYHC-UHFFFAOYSA-N -1 3 394.426 3.902 20 0 GHADHM CN(CCC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736792205 598562140 /nfs/dbraw/zinc/56/21/40/598562140.db2.gz LJSHEIRLOTXYHC-UHFFFAOYSA-N -1 3 394.426 3.902 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737320527 598562948 /nfs/dbraw/zinc/56/29/48/598562948.db2.gz MEVKIMKLQYXULN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737320527 598562949 /nfs/dbraw/zinc/56/29/49/598562949.db2.gz MEVKIMKLQYXULN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817873 598567914 /nfs/dbraw/zinc/56/79/14/598567914.db2.gz GHDYOBRULQMOJQ-DLBZAZTESA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817873 598567915 /nfs/dbraw/zinc/56/79/15/598567915.db2.gz GHDYOBRULQMOJQ-DLBZAZTESA-N -1 3 397.429 3.938 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736481717 598568071 /nfs/dbraw/zinc/56/80/71/598568071.db2.gz ZRAHKLUXSMPRCR-SJORKVTESA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736481717 598568073 /nfs/dbraw/zinc/56/80/73/598568073.db2.gz ZRAHKLUXSMPRCR-SJORKVTESA-N -1 3 397.429 3.687 20 0 GHADHM Cc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000737435183 598571426 /nfs/dbraw/zinc/57/14/26/598571426.db2.gz IRQGDQKYCJBPAC-UHFFFAOYSA-N -1 3 388.397 3.521 20 0 GHADHM Cc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000737435183 598571427 /nfs/dbraw/zinc/57/14/27/598571427.db2.gz IRQGDQKYCJBPAC-UHFFFAOYSA-N -1 3 388.397 3.521 20 0 GHADHM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1OC ZINC000736645129 598574933 /nfs/dbraw/zinc/57/49/33/598574933.db2.gz UZWXBTNEVARZLE-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1OC ZINC000736645129 598574935 /nfs/dbraw/zinc/57/49/35/598574935.db2.gz UZWXBTNEVARZLE-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM CC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736379732 598584338 /nfs/dbraw/zinc/58/43/38/598584338.db2.gz DADIOJFOLLRXQY-GOSISDBHSA-N -1 3 398.488 3.803 20 0 GHADHM CC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736379732 598584340 /nfs/dbraw/zinc/58/43/40/598584340.db2.gz DADIOJFOLLRXQY-GOSISDBHSA-N -1 3 398.488 3.803 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737851278 598609425 /nfs/dbraw/zinc/60/94/25/598609425.db2.gz FUNQRIWMIKTEKI-NHCUHLMSSA-N -1 3 389.503 3.717 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000737851278 598609427 /nfs/dbraw/zinc/60/94/27/598609427.db2.gz FUNQRIWMIKTEKI-NHCUHLMSSA-N -1 3 389.503 3.717 20 0 GHADHM Clc1ccccc1Cc1noc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737582549 598609959 /nfs/dbraw/zinc/60/99/59/598609959.db2.gz CGJBONMXHKAMBC-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1ccccc1Cc1noc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737582549 598609961 /nfs/dbraw/zinc/60/99/61/598609961.db2.gz CGJBONMXHKAMBC-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000738162829 598631983 /nfs/dbraw/zinc/63/19/83/598631983.db2.gz NMPQPUDTJWWBFZ-KRWDZBQOSA-N -1 3 381.415 3.550 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000738162829 598631984 /nfs/dbraw/zinc/63/19/84/598631984.db2.gz NMPQPUDTJWWBFZ-KRWDZBQOSA-N -1 3 381.415 3.550 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc2nccn2c1 ZINC000738236754 598636782 /nfs/dbraw/zinc/63/67/82/598636782.db2.gz SDTJBCCZEMEFGJ-UHFFFAOYSA-N -1 3 396.410 3.538 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc2nccn2c1 ZINC000738236754 598636783 /nfs/dbraw/zinc/63/67/83/598636783.db2.gz SDTJBCCZEMEFGJ-UHFFFAOYSA-N -1 3 396.410 3.538 20 0 GHADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736300572 598643249 /nfs/dbraw/zinc/64/32/49/598643249.db2.gz YUKHZXLMUXELJL-MGPLVRAMSA-N -1 3 384.896 3.740 20 0 GHADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736300572 598643251 /nfs/dbraw/zinc/64/32/51/598643251.db2.gz YUKHZXLMUXELJL-MGPLVRAMSA-N -1 3 384.896 3.740 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1F ZINC000737361043 598645026 /nfs/dbraw/zinc/64/50/26/598645026.db2.gz QXLIKEZJACYYGR-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1F ZINC000737361043 598645027 /nfs/dbraw/zinc/64/50/27/598645027.db2.gz QXLIKEZJACYYGR-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1ccc2ccncc2c1 ZINC000737840981 598647598 /nfs/dbraw/zinc/64/75/98/598647598.db2.gz HHWHJYSNRHDBBM-UHFFFAOYSA-N -1 3 389.415 3.570 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1ccc2ccncc2c1 ZINC000737840981 598647599 /nfs/dbraw/zinc/64/75/99/598647599.db2.gz HHWHJYSNRHDBBM-UHFFFAOYSA-N -1 3 389.415 3.570 20 0 GHADHM CC(C)[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735712800 598647900 /nfs/dbraw/zinc/64/79/00/598647900.db2.gz UQPNBCYTWZJQMX-OAQYLSRUSA-N -1 3 393.491 3.929 20 0 GHADHM CC(C)[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735712800 598647903 /nfs/dbraw/zinc/64/79/03/598647903.db2.gz UQPNBCYTWZJQMX-OAQYLSRUSA-N -1 3 393.491 3.929 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCc2ccccc21 ZINC000738278814 598648147 /nfs/dbraw/zinc/64/81/47/598648147.db2.gz NZGLQWPEZXUIKS-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCc2ccccc21 ZINC000738278814 598648149 /nfs/dbraw/zinc/64/81/49/598648149.db2.gz NZGLQWPEZXUIKS-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736356756 598649931 /nfs/dbraw/zinc/64/99/31/598649931.db2.gz OOQCYYSNVBXTAL-LJQANCHMSA-N -1 3 379.464 3.683 20 0 GHADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736356756 598649932 /nfs/dbraw/zinc/64/99/32/598649932.db2.gz OOQCYYSNVBXTAL-LJQANCHMSA-N -1 3 379.464 3.683 20 0 GHADHM CC(C)CN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735830477 598651612 /nfs/dbraw/zinc/65/16/12/598651612.db2.gz GOHBZHUHQYKDOF-UHFFFAOYSA-N -1 3 381.505 3.644 20 0 GHADHM CC(C)CN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735830477 598651614 /nfs/dbraw/zinc/65/16/14/598651614.db2.gz GOHBZHUHQYKDOF-UHFFFAOYSA-N -1 3 381.505 3.644 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1ccccc1OC ZINC000736479934 598652165 /nfs/dbraw/zinc/65/21/65/598652165.db2.gz MWPICYVQMOLRDR-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1ccccc1OC ZINC000736479934 598652167 /nfs/dbraw/zinc/65/21/67/598652167.db2.gz MWPICYVQMOLRDR-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(C1CC1)C1CCCCC1 ZINC000737832695 598652275 /nfs/dbraw/zinc/65/22/75/598652275.db2.gz KHBFFNRGAHCDSP-UHFFFAOYSA-N -1 3 383.496 3.740 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(C1CC1)C1CCCCC1 ZINC000737832695 598652277 /nfs/dbraw/zinc/65/22/77/598652277.db2.gz KHBFFNRGAHCDSP-UHFFFAOYSA-N -1 3 383.496 3.740 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000736813610 598652722 /nfs/dbraw/zinc/65/27/22/598652722.db2.gz LKEMNNVSSRPIEG-INIZCTEOSA-N -1 3 389.381 3.561 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000736813610 598652723 /nfs/dbraw/zinc/65/27/23/598652723.db2.gz LKEMNNVSSRPIEG-INIZCTEOSA-N -1 3 389.381 3.561 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735914449 598652918 /nfs/dbraw/zinc/65/29/18/598652918.db2.gz TXJDVYHNOQJHKS-UHFFFAOYSA-N -1 3 395.463 3.842 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735914449 598652920 /nfs/dbraw/zinc/65/29/20/598652920.db2.gz TXJDVYHNOQJHKS-UHFFFAOYSA-N -1 3 395.463 3.842 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735913991 598653101 /nfs/dbraw/zinc/65/31/01/598653101.db2.gz PBDJRURNKVLDKJ-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735913991 598653102 /nfs/dbraw/zinc/65/31/02/598653102.db2.gz PBDJRURNKVLDKJ-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM Cc1ncc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000737492981 598655537 /nfs/dbraw/zinc/65/55/37/598655537.db2.gz WCUFZUPXGLXEGG-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ncc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737492981 598655539 /nfs/dbraw/zinc/65/55/39/598655539.db2.gz WCUFZUPXGLXEGG-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736731701 598656736 /nfs/dbraw/zinc/65/67/36/598656736.db2.gz FLTUMCBKMOVCFQ-OAHLLOKOSA-N -1 3 375.354 3.566 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736731701 598656737 /nfs/dbraw/zinc/65/67/37/598656737.db2.gz FLTUMCBKMOVCFQ-OAHLLOKOSA-N -1 3 375.354 3.566 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737058345 598658717 /nfs/dbraw/zinc/65/87/17/598658717.db2.gz KSLYHVQZSHSQDZ-ZDUSSCGKSA-N -1 3 391.353 3.550 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737058345 598658719 /nfs/dbraw/zinc/65/87/19/598658719.db2.gz KSLYHVQZSHSQDZ-ZDUSSCGKSA-N -1 3 391.353 3.550 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1C(F)(F)F ZINC000737942327 598660934 /nfs/dbraw/zinc/66/09/34/598660934.db2.gz YIOOLBSKSOWCMX-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1C(F)(F)F ZINC000737942327 598660936 /nfs/dbraw/zinc/66/09/36/598660936.db2.gz YIOOLBSKSOWCMX-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736224776 598662690 /nfs/dbraw/zinc/66/26/90/598662690.db2.gz NNXBEPLIDAULOH-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736224776 598662692 /nfs/dbraw/zinc/66/26/92/598662692.db2.gz NNXBEPLIDAULOH-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM CC[C@H](C)[C@@H](C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736327819 598664728 /nfs/dbraw/zinc/66/47/28/598664728.db2.gz GHFMNUQVNFWYRD-JKSUJKDBSA-N -1 3 385.512 3.841 20 0 GHADHM CC[C@H](C)[C@@H](C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736327819 598664729 /nfs/dbraw/zinc/66/47/29/598664729.db2.gz GHFMNUQVNFWYRD-JKSUJKDBSA-N -1 3 385.512 3.841 20 0 GHADHM CC[C@H](C)[C@H](C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736327815 598664928 /nfs/dbraw/zinc/66/49/28/598664928.db2.gz GHFMNUQVNFWYRD-HOTGVXAUSA-N -1 3 385.512 3.841 20 0 GHADHM CC[C@H](C)[C@H](C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736327815 598664930 /nfs/dbraw/zinc/66/49/30/598664930.db2.gz GHFMNUQVNFWYRD-HOTGVXAUSA-N -1 3 385.512 3.841 20 0 GHADHM Clc1cc(N2CCC(OCCc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737562986 598666567 /nfs/dbraw/zinc/66/65/67/598666567.db2.gz BTVXFQCBCXMJFA-UHFFFAOYSA-N -1 3 383.883 3.748 20 0 GHADHM Clc1cc(N2CCC(OCCc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737562986 598666569 /nfs/dbraw/zinc/66/65/69/598666569.db2.gz BTVXFQCBCXMJFA-UHFFFAOYSA-N -1 3 383.883 3.748 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737942474 598669255 /nfs/dbraw/zinc/66/92/55/598669255.db2.gz LCLHBICPEUCIMM-KRWDZBQOSA-N -1 3 393.516 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737942474 598669257 /nfs/dbraw/zinc/66/92/57/598669257.db2.gz LCLHBICPEUCIMM-KRWDZBQOSA-N -1 3 393.516 3.755 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737852233 598672059 /nfs/dbraw/zinc/67/20/59/598672059.db2.gz FLRVZZQUAQXXDW-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737852233 598672061 /nfs/dbraw/zinc/67/20/61/598672061.db2.gz FLRVZZQUAQXXDW-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM Cc1cc(N2CC[C@@H](c3ccco3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273210 598675649 /nfs/dbraw/zinc/67/56/49/598675649.db2.gz YYBQQVWZKHDOPC-CQSZACIVSA-N -1 3 385.431 3.563 20 0 GHADHM Cc1cc(N2CC[C@@H](c3ccco3)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273210 598675651 /nfs/dbraw/zinc/67/56/51/598675651.db2.gz YYBQQVWZKHDOPC-CQSZACIVSA-N -1 3 385.431 3.563 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736189703 598696233 /nfs/dbraw/zinc/69/62/33/598696233.db2.gz QPHPGRSFJDJZLO-KBPBESRZSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736189703 598696234 /nfs/dbraw/zinc/69/62/34/598696234.db2.gz QPHPGRSFJDJZLO-KBPBESRZSA-N -1 3 399.495 3.547 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737116616 598709758 /nfs/dbraw/zinc/70/97/58/598709758.db2.gz VEZSTNMNQXKHOU-AWEZNQCLSA-N -1 3 396.422 3.568 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737116616 598709760 /nfs/dbraw/zinc/70/97/60/598709760.db2.gz VEZSTNMNQXKHOU-AWEZNQCLSA-N -1 3 396.422 3.568 20 0 GHADHM CCCOc1ccc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000736492419 598722566 /nfs/dbraw/zinc/72/25/66/598722566.db2.gz LJGSDKDISZWPKL-UHFFFAOYSA-N -1 3 390.447 3.598 20 0 GHADHM CCCOc1ccc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000736492419 598722568 /nfs/dbraw/zinc/72/25/68/598722568.db2.gz LJGSDKDISZWPKL-UHFFFAOYSA-N -1 3 390.447 3.598 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000736478697 598732389 /nfs/dbraw/zinc/73/23/89/598732389.db2.gz AMQDDXKNVKXDLF-LJQANCHMSA-N -1 3 390.491 3.518 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000736478697 598732390 /nfs/dbraw/zinc/73/23/90/598732390.db2.gz AMQDDXKNVKXDLF-LJQANCHMSA-N -1 3 390.491 3.518 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736667921 598745871 /nfs/dbraw/zinc/74/58/71/598745871.db2.gz UMYUCSXJTSKQHY-CQSZACIVSA-N -1 3 381.505 3.789 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736667921 598745873 /nfs/dbraw/zinc/74/58/73/598745873.db2.gz UMYUCSXJTSKQHY-CQSZACIVSA-N -1 3 381.505 3.789 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736188851 598751074 /nfs/dbraw/zinc/75/10/74/598751074.db2.gz QQJPZTWLFGAOKO-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736188851 598751076 /nfs/dbraw/zinc/75/10/76/598751076.db2.gz QQJPZTWLFGAOKO-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000737193881 598763773 /nfs/dbraw/zinc/76/37/73/598763773.db2.gz YRVRISSDGUYTKX-UHFFFAOYSA-N -1 3 394.416 3.621 20 0 GHADHM CCOCCOCc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736625043 598792953 /nfs/dbraw/zinc/79/29/53/598792953.db2.gz ICULFSAIAIGLMZ-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CCOCCOCc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736625043 598792954 /nfs/dbraw/zinc/79/29/54/598792954.db2.gz ICULFSAIAIGLMZ-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000735624837 598795251 /nfs/dbraw/zinc/79/52/51/598795251.db2.gz BGITVEDOPFTNIH-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000735624837 598795253 /nfs/dbraw/zinc/79/52/53/598795253.db2.gz BGITVEDOPFTNIH-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CCn1cnc2c1ncnc2Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736721214 598795661 /nfs/dbraw/zinc/79/56/61/598795661.db2.gz COMLPXPFILDXIZ-UHFFFAOYSA-N -1 3 399.418 3.562 20 0 GHADHM Cc1nc(CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cs1 ZINC000737472261 598804383 /nfs/dbraw/zinc/80/43/83/598804383.db2.gz SFCAYAJNUPUFQC-UHFFFAOYSA-N -1 3 396.501 3.931 20 0 GHADHM Cc1nc(CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cs1 ZINC000737472261 598804384 /nfs/dbraw/zinc/80/43/84/598804384.db2.gz SFCAYAJNUPUFQC-UHFFFAOYSA-N -1 3 396.501 3.931 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2OCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737632167 598817489 /nfs/dbraw/zinc/81/74/89/598817489.db2.gz KXDGCMSXXCLSBT-INIZCTEOSA-N -1 3 375.354 3.611 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2OCCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737632167 598817491 /nfs/dbraw/zinc/81/74/91/598817491.db2.gz KXDGCMSXXCLSBT-INIZCTEOSA-N -1 3 375.354 3.611 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000736183082 598822881 /nfs/dbraw/zinc/82/28/81/598822881.db2.gz QMQPGQXDVLCZRD-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000736183082 598822882 /nfs/dbraw/zinc/82/28/82/598822882.db2.gz QMQPGQXDVLCZRD-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1CCCc2occc21 ZINC000823303602 599293127 /nfs/dbraw/zinc/29/31/27/599293127.db2.gz ODASIYADXXZFFL-CYBMUJFWSA-N -1 3 392.341 3.678 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1CCCc2occc21 ZINC000823303602 599293130 /nfs/dbraw/zinc/29/31/30/599293130.db2.gz ODASIYADXXZFFL-CYBMUJFWSA-N -1 3 392.341 3.678 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000821612567 599297291 /nfs/dbraw/zinc/29/72/91/599297291.db2.gz ZQJNHQHZCNTWLA-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000821612567 599297293 /nfs/dbraw/zinc/29/72/93/599297293.db2.gz ZQJNHQHZCNTWLA-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM O=C(NCC1CCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823175250 599298147 /nfs/dbraw/zinc/29/81/47/599298147.db2.gz CZLSRUBRWDBSPT-UHFFFAOYSA-N -1 3 382.399 3.720 20 0 GHADHM O=C(NCC1CCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823175250 599298149 /nfs/dbraw/zinc/29/81/49/599298149.db2.gz CZLSRUBRWDBSPT-UHFFFAOYSA-N -1 3 382.399 3.720 20 0 GHADHM CCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506234 599309855 /nfs/dbraw/zinc/30/98/55/599309855.db2.gz YYVLYGODEZRTEU-UHFFFAOYSA-N -1 3 388.431 3.507 20 0 GHADHM CCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506234 599309857 /nfs/dbraw/zinc/30/98/57/599309857.db2.gz YYVLYGODEZRTEU-UHFFFAOYSA-N -1 3 388.431 3.507 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000736634571 599327398 /nfs/dbraw/zinc/32/73/98/599327398.db2.gz LYDQDLULNPTLTI-UHFFFAOYSA-N -1 3 379.342 3.776 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000736634571 599327401 /nfs/dbraw/zinc/32/74/01/599327401.db2.gz LYDQDLULNPTLTI-UHFFFAOYSA-N -1 3 379.342 3.776 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827317 599327530 /nfs/dbraw/zinc/32/75/30/599327530.db2.gz JSTNMSYCGLJXFX-OAHLLOKOSA-N -1 3 375.542 3.802 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827317 599327532 /nfs/dbraw/zinc/32/75/32/599327532.db2.gz JSTNMSYCGLJXFX-OAHLLOKOSA-N -1 3 375.542 3.802 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc21 ZINC000736190470 599328505 /nfs/dbraw/zinc/32/85/05/599328505.db2.gz SIEXATWLDNOBPE-KBPBESRZSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc21 ZINC000736190470 599328507 /nfs/dbraw/zinc/32/85/07/599328507.db2.gz SIEXATWLDNOBPE-KBPBESRZSA-N -1 3 379.489 3.639 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735497158 599329490 /nfs/dbraw/zinc/32/94/90/599329490.db2.gz PQOHBJNIIPQLIO-CYBMUJFWSA-N -1 3 383.477 3.691 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735497158 599329493 /nfs/dbraw/zinc/32/94/93/599329493.db2.gz PQOHBJNIIPQLIO-CYBMUJFWSA-N -1 3 383.477 3.691 20 0 GHADHM C[C@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736187974 599339524 /nfs/dbraw/zinc/33/95/24/599339524.db2.gz FQFOKLFOZMNKFI-JTQLQIEISA-N -1 3 398.879 3.867 20 0 GHADHM C[C@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736187974 599339527 /nfs/dbraw/zinc/33/95/27/599339527.db2.gz FQFOKLFOZMNKFI-JTQLQIEISA-N -1 3 398.879 3.867 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000820557315 599341943 /nfs/dbraw/zinc/34/19/43/599341943.db2.gz YGGOXIWWELNZDQ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1Cl ZINC000820557315 599341945 /nfs/dbraw/zinc/34/19/45/599341945.db2.gz YGGOXIWWELNZDQ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccccc2-c2nnn[n-]2)c2ccccc2S1 ZINC000820715352 599349811 /nfs/dbraw/zinc/34/98/11/599349811.db2.gz AOAKETKVXYOAMZ-CYBMUJFWSA-N -1 3 397.529 3.876 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccccc2-c2nn[n-]n2)c2ccccc2S1 ZINC000820715352 599349813 /nfs/dbraw/zinc/34/98/13/599349813.db2.gz AOAKETKVXYOAMZ-CYBMUJFWSA-N -1 3 397.529 3.876 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@H](C)c2cccc(-c4nnn[n-]4)c2)n1)CCC3 ZINC000822453250 599356068 /nfs/dbraw/zinc/35/60/68/599356068.db2.gz GAVVWQPXALNJCZ-SNVBAGLBSA-N -1 3 377.477 3.842 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@H](C)c2cccc(-c4nn[n-]n4)c2)n1)CCC3 ZINC000822453250 599356069 /nfs/dbraw/zinc/35/60/69/599356069.db2.gz GAVVWQPXALNJCZ-SNVBAGLBSA-N -1 3 377.477 3.842 20 0 GHADHM CCC[C@H](Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OCC ZINC000821021857 599367302 /nfs/dbraw/zinc/36/73/02/599367302.db2.gz PIXPLIHWCRFDOS-IBGZPJMESA-N -1 3 395.463 3.589 20 0 GHADHM CCC[C@H](Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OCC ZINC000821021857 599367305 /nfs/dbraw/zinc/36/73/05/599367305.db2.gz PIXPLIHWCRFDOS-IBGZPJMESA-N -1 3 395.463 3.589 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2occc2s1 ZINC000738146040 599375156 /nfs/dbraw/zinc/37/51/56/599375156.db2.gz OINLCHHAESKMJQ-UHFFFAOYSA-N -1 3 377.332 3.528 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2occc2s1 ZINC000738146040 599375157 /nfs/dbraw/zinc/37/51/57/599375157.db2.gz OINLCHHAESKMJQ-UHFFFAOYSA-N -1 3 377.332 3.528 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736110102 599377654 /nfs/dbraw/zinc/37/76/54/599377654.db2.gz FRYXHKKKAUYNJL-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736110102 599377656 /nfs/dbraw/zinc/37/76/56/599377656.db2.gz FRYXHKKKAUYNJL-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737215902 599383257 /nfs/dbraw/zinc/38/32/57/599383257.db2.gz NRPSRPPWEWKUPI-CYBMUJFWSA-N -1 3 397.866 3.575 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1)c1cccs1 ZINC000823367193 599388006 /nfs/dbraw/zinc/38/80/06/599388006.db2.gz FOISMJHFUJHMRB-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1)c1cccs1 ZINC000823367193 599388008 /nfs/dbraw/zinc/38/80/08/599388008.db2.gz FOISMJHFUJHMRB-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cc(Br)cc1F ZINC000821731331 607373375 /nfs/dbraw/zinc/37/33/75/607373375.db2.gz AUGKVDWCAJKGAQ-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cc(Br)cc1F ZINC000821731331 607373377 /nfs/dbraw/zinc/37/33/77/607373377.db2.gz AUGKVDWCAJKGAQ-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178721 599408666 /nfs/dbraw/zinc/40/86/66/599408666.db2.gz ZDHKTNDIAWXUNN-GJZGRUSLSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178721 599408668 /nfs/dbraw/zinc/40/86/68/599408668.db2.gz ZDHKTNDIAWXUNN-GJZGRUSLSA-N -1 3 394.479 3.775 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000738381579 599420790 /nfs/dbraw/zinc/42/07/90/599420790.db2.gz IHAHUJWGZXEKMK-CQSZACIVSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000738381579 599420791 /nfs/dbraw/zinc/42/07/91/599420791.db2.gz IHAHUJWGZXEKMK-CQSZACIVSA-N -1 3 399.760 3.564 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225592 599423962 /nfs/dbraw/zinc/42/39/62/599423962.db2.gz MHLGXNITLDUMKM-CVEARBPZSA-N -1 3 392.507 3.983 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225592 599423966 /nfs/dbraw/zinc/42/39/66/599423966.db2.gz MHLGXNITLDUMKM-CVEARBPZSA-N -1 3 392.507 3.983 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CCO1 ZINC000737582846 599430887 /nfs/dbraw/zinc/43/08/87/599430887.db2.gz GKLSYFYGUQYOAA-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CCO1 ZINC000737582846 599430889 /nfs/dbraw/zinc/43/08/89/599430889.db2.gz GKLSYFYGUQYOAA-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000820348971 599441507 /nfs/dbraw/zinc/44/15/07/599441507.db2.gz GXHOLYNDIOPXNS-RYUDHWBXSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000820348971 599441511 /nfs/dbraw/zinc/44/15/11/599441511.db2.gz GXHOLYNDIOPXNS-RYUDHWBXSA-N -1 3 393.476 3.598 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821021260 599445997 /nfs/dbraw/zinc/44/59/97/599445997.db2.gz MRWDXJZHFRQNJW-HXUWFJFHSA-N -1 3 392.507 3.810 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821021260 599445999 /nfs/dbraw/zinc/44/59/99/599445999.db2.gz MRWDXJZHFRQNJW-HXUWFJFHSA-N -1 3 392.507 3.810 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000821104649 599448093 /nfs/dbraw/zinc/44/80/93/599448093.db2.gz LNSHQYLUAQJQKQ-OALUTQOASA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000821104649 599448094 /nfs/dbraw/zinc/44/80/94/599448094.db2.gz LNSHQYLUAQJQKQ-OALUTQOASA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCc2ccccc21 ZINC000821083429 599463858 /nfs/dbraw/zinc/46/38/58/599463858.db2.gz YXHTYBLVMDLDQC-IBGZPJMESA-N -1 3 394.454 3.615 20 0 GHADHM CCCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCc2ccccc21 ZINC000821083429 599463861 /nfs/dbraw/zinc/46/38/61/599463861.db2.gz YXHTYBLVMDLDQC-IBGZPJMESA-N -1 3 394.454 3.615 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000735659528 599465142 /nfs/dbraw/zinc/46/51/42/599465142.db2.gz BXNQMAFBMPQDHP-UHFFFAOYSA-N -1 3 378.889 3.709 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000735659528 599465143 /nfs/dbraw/zinc/46/51/43/599465143.db2.gz BXNQMAFBMPQDHP-UHFFFAOYSA-N -1 3 378.889 3.709 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231652 599469014 /nfs/dbraw/zinc/46/90/14/599469014.db2.gz BWYIYUPXKJYGRD-BBRMVZONSA-N -1 3 397.479 3.503 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231652 599469017 /nfs/dbraw/zinc/46/90/17/599469017.db2.gz BWYIYUPXKJYGRD-BBRMVZONSA-N -1 3 397.479 3.503 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821100137 599471234 /nfs/dbraw/zinc/47/12/34/599471234.db2.gz UPFKFHGIJJQKRF-OAHLLOKOSA-N -1 3 396.470 3.731 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821100137 599471236 /nfs/dbraw/zinc/47/12/36/599471236.db2.gz UPFKFHGIJJQKRF-OAHLLOKOSA-N -1 3 396.470 3.731 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339511 599473256 /nfs/dbraw/zinc/47/32/56/599473256.db2.gz DENKLELGDSUBOL-STQMWFEESA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339511 599473259 /nfs/dbraw/zinc/47/32/59/599473259.db2.gz DENKLELGDSUBOL-STQMWFEESA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820340637 599477686 /nfs/dbraw/zinc/47/76/86/599477686.db2.gz MOLWMMXNDFDHNU-HNNXBMFYSA-N -1 3 386.459 3.923 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820340637 599477688 /nfs/dbraw/zinc/47/76/88/599477688.db2.gz MOLWMMXNDFDHNU-HNNXBMFYSA-N -1 3 386.459 3.923 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234764 599484772 /nfs/dbraw/zinc/48/47/72/599484772.db2.gz GWZMNZMPHQLIGH-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234764 599484775 /nfs/dbraw/zinc/48/47/75/599484775.db2.gz GWZMNZMPHQLIGH-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299241 599486645 /nfs/dbraw/zinc/48/66/45/599486645.db2.gz CFYTZSULWLYWCB-DNVCBOLYSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299241 599486648 /nfs/dbraw/zinc/48/66/48/599486648.db2.gz CFYTZSULWLYWCB-DNVCBOLYSA-N -1 3 376.464 3.783 20 0 GHADHM COc1ccc2c(c1)CN(c1c(-c3nnn[n-]3)cnc3c(C)cc(C)cc31)CC2 ZINC000821849831 599493431 /nfs/dbraw/zinc/49/34/31/599493431.db2.gz RSSQFCOIZZPTME-UHFFFAOYSA-N -1 3 386.459 3.603 20 0 GHADHM COc1ccc2c(c1)CN(c1c(-c3nn[n-]n3)cnc3c(C)cc(C)cc31)CC2 ZINC000821849831 599493433 /nfs/dbraw/zinc/49/34/33/599493433.db2.gz RSSQFCOIZZPTME-UHFFFAOYSA-N -1 3 386.459 3.603 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Oc2nccs2)c1 ZINC000738236429 599501149 /nfs/dbraw/zinc/50/11/49/599501149.db2.gz YWGSJNFFEYUBAM-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Oc2nccs2)c1 ZINC000738236429 599501151 /nfs/dbraw/zinc/50/11/51/599501151.db2.gz YWGSJNFFEYUBAM-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820232922 607381765 /nfs/dbraw/zinc/38/17/65/607381765.db2.gz HYUDPICDWOATSQ-PIGZYNQJSA-N -1 3 396.401 3.617 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820232922 607381767 /nfs/dbraw/zinc/38/17/67/607381767.db2.gz HYUDPICDWOATSQ-PIGZYNQJSA-N -1 3 396.401 3.617 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384398 599508594 /nfs/dbraw/zinc/50/85/94/599508594.db2.gz DDASELKESMAGBX-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384398 599508596 /nfs/dbraw/zinc/50/85/96/599508596.db2.gz DDASELKESMAGBX-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H](c2ccccc2)O1 ZINC000736289359 599521948 /nfs/dbraw/zinc/52/19/48/599521948.db2.gz LCXONAYIQKOISW-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM COCc1cc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)ccc1F ZINC000737016209 599524840 /nfs/dbraw/zinc/52/48/40/599524840.db2.gz KTNFNKWROLXVKI-UHFFFAOYSA-N -1 3 381.333 3.783 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321460 599525371 /nfs/dbraw/zinc/52/53/71/599525371.db2.gz GQSMTQWZYZTYRS-AWEZNQCLSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321460 599525374 /nfs/dbraw/zinc/52/53/74/599525374.db2.gz GQSMTQWZYZTYRS-AWEZNQCLSA-N -1 3 379.439 3.695 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234002 599527097 /nfs/dbraw/zinc/52/70/97/599527097.db2.gz ZMWSMORHIJFVDJ-YSGRDPCXSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234002 599527100 /nfs/dbraw/zinc/52/71/00/599527100.db2.gz ZMWSMORHIJFVDJ-YSGRDPCXSA-N -1 3 391.475 3.520 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000738265981 599533413 /nfs/dbraw/zinc/53/34/13/599533413.db2.gz HSBQBJVDTMTJON-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000738265981 599533414 /nfs/dbraw/zinc/53/34/14/599533414.db2.gz HSBQBJVDTMTJON-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000738265984 599533518 /nfs/dbraw/zinc/53/35/18/599533518.db2.gz HSBQBJVDTMTJON-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000738265984 599533520 /nfs/dbraw/zinc/53/35/20/599533520.db2.gz HSBQBJVDTMTJON-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737318962 599537080 /nfs/dbraw/zinc/53/70/80/599537080.db2.gz BUWZDEHCGSFTSI-LBPRGKRZSA-N -1 3 386.912 3.919 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737318962 599537084 /nfs/dbraw/zinc/53/70/84/599537084.db2.gz BUWZDEHCGSFTSI-LBPRGKRZSA-N -1 3 386.912 3.919 20 0 GHADHM CCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000821128517 599537361 /nfs/dbraw/zinc/53/73/61/599537361.db2.gz WEZNDXXQEAPLNE-CQSZACIVSA-N -1 3 395.463 3.545 20 0 GHADHM CCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000821128517 599537364 /nfs/dbraw/zinc/53/73/64/599537364.db2.gz WEZNDXXQEAPLNE-CQSZACIVSA-N -1 3 395.463 3.545 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820683650 599546905 /nfs/dbraw/zinc/54/69/05/599546905.db2.gz FGDDJQAVTHMLRB-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820683650 599546907 /nfs/dbraw/zinc/54/69/07/599546907.db2.gz FGDDJQAVTHMLRB-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820683643 599547351 /nfs/dbraw/zinc/54/73/51/599547351.db2.gz FEOFHZDMJYRZGM-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820683643 599547353 /nfs/dbraw/zinc/54/73/53/599547353.db2.gz FEOFHZDMJYRZGM-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737327886 599558490 /nfs/dbraw/zinc/55/84/90/599558490.db2.gz CJZDOFWPTYXXRP-IIBYNOLFSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737327886 599558493 /nfs/dbraw/zinc/55/84/93/599558493.db2.gz CJZDOFWPTYXXRP-IIBYNOLFSA-N -1 3 391.475 3.554 20 0 GHADHM O=C(Nc1n[nH]c2ccccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199217 599563862 /nfs/dbraw/zinc/56/38/62/599563862.db2.gz USJYHTCLDQKVGS-UHFFFAOYSA-N -1 3 396.414 3.739 20 0 GHADHM CCN(Cc1ccn(-c2ccc(F)cc2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230779 599566939 /nfs/dbraw/zinc/56/69/39/599566939.db2.gz RADUIQYYZXGZER-OAHLLOKOSA-N -1 3 391.454 3.775 20 0 GHADHM Cc1ccc([C@@H](C)N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000822229532 599568189 /nfs/dbraw/zinc/56/81/89/599568189.db2.gz WNYISWRVKBBIQL-OAHLLOKOSA-N -1 3 389.463 3.727 20 0 GHADHM Cc1cccc(N(C)C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737396768 599569902 /nfs/dbraw/zinc/56/99/02/599569902.db2.gz NTZIUSQVEFHEOM-UHFFFAOYSA-N -1 3 385.431 3.590 20 0 GHADHM Cc1cccc(NC2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1 ZINC000822324312 599572391 /nfs/dbraw/zinc/57/23/91/599572391.db2.gz ZPUZIMSFUMBSJY-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM Cc1cccc(NC2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1 ZINC000822324312 599572394 /nfs/dbraw/zinc/57/23/94/599572394.db2.gz ZPUZIMSFUMBSJY-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM c1coc([C@@H]2CCCCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823737007 599576612 /nfs/dbraw/zinc/57/66/12/599576612.db2.gz AGFPTZPLGFVHPO-INIZCTEOSA-N -1 3 391.435 3.627 20 0 GHADHM c1coc([C@@H]2CCCCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823737007 599576614 /nfs/dbraw/zinc/57/66/14/599576614.db2.gz AGFPTZPLGFVHPO-INIZCTEOSA-N -1 3 391.435 3.627 20 0 GHADHM Fc1cccc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1-c1nnn[n-]1 ZINC000822791692 599580534 /nfs/dbraw/zinc/58/05/34/599580534.db2.gz LMDNXOGMVQISBE-UHFFFAOYSA-N -1 3 393.382 3.589 20 0 GHADHM Fc1cccc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1-c1nn[n-]n1 ZINC000822791692 599580537 /nfs/dbraw/zinc/58/05/37/599580537.db2.gz LMDNXOGMVQISBE-UHFFFAOYSA-N -1 3 393.382 3.589 20 0 GHADHM COc1ccc([C@@H](C)CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000821777727 599587864 /nfs/dbraw/zinc/58/78/64/599587864.db2.gz LWMYPDVLYPOSKQ-NSHDSACASA-N -1 3 392.385 3.895 20 0 GHADHM COc1ccc([C@@H](C)CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000821777727 599587867 /nfs/dbraw/zinc/58/78/67/599587867.db2.gz LWMYPDVLYPOSKQ-NSHDSACASA-N -1 3 392.385 3.895 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737329792 599592548 /nfs/dbraw/zinc/59/25/48/599592548.db2.gz LBCLFMQVQOHWDI-KSSFIOAISA-N -1 3 396.520 3.648 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737336168 599601429 /nfs/dbraw/zinc/60/14/29/599601429.db2.gz YHTNBTQCAADMHI-HZPDHXFCSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737336168 599601431 /nfs/dbraw/zinc/60/14/31/599601431.db2.gz YHTNBTQCAADMHI-HZPDHXFCSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000737331119 599613079 /nfs/dbraw/zinc/61/30/79/599613079.db2.gz PIROYIYXQUOUQB-QGZVFWFLSA-N -1 3 398.442 3.734 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000737331119 599613081 /nfs/dbraw/zinc/61/30/81/599613081.db2.gz PIROYIYXQUOUQB-QGZVFWFLSA-N -1 3 398.442 3.734 20 0 GHADHM COc1cccc([C@H](C)OC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000821859615 599628096 /nfs/dbraw/zinc/62/80/96/599628096.db2.gz RCSKNTUDLDNLKI-IFXJQAMLSA-N -1 3 396.447 3.583 20 0 GHADHM COc1cccc([C@H](C)OC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000821859615 599628097 /nfs/dbraw/zinc/62/80/97/599628097.db2.gz RCSKNTUDLDNLKI-IFXJQAMLSA-N -1 3 396.447 3.583 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822293558 599628922 /nfs/dbraw/zinc/62/89/22/599628922.db2.gz CBXLCWOESJBUDA-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822293558 599628923 /nfs/dbraw/zinc/62/89/23/599628923.db2.gz CBXLCWOESJBUDA-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819866349 599632472 /nfs/dbraw/zinc/63/24/72/599632472.db2.gz LMHZRYYYXRWNHK-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819866349 599632473 /nfs/dbraw/zinc/63/24/73/599632473.db2.gz LMHZRYYYXRWNHK-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821976582 599634568 /nfs/dbraw/zinc/63/45/68/599634568.db2.gz BTNUHXPOCCGKFF-UHFFFAOYSA-N -1 3 379.367 3.860 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821976582 599634569 /nfs/dbraw/zinc/63/45/69/599634569.db2.gz BTNUHXPOCCGKFF-UHFFFAOYSA-N -1 3 379.367 3.860 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(Cl)c1 ZINC000821230315 599636535 /nfs/dbraw/zinc/63/65/35/599636535.db2.gz GRNMNHSZCLWXQM-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(Cl)c1 ZINC000821230315 599636536 /nfs/dbraw/zinc/63/65/36/599636536.db2.gz GRNMNHSZCLWXQM-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820068468 599652656 /nfs/dbraw/zinc/65/26/56/599652656.db2.gz QJMHWIYXHDWWHO-OAHLLOKOSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820068468 599652657 /nfs/dbraw/zinc/65/26/57/599652657.db2.gz QJMHWIYXHDWWHO-OAHLLOKOSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736252849 599655832 /nfs/dbraw/zinc/65/58/32/599655832.db2.gz RWDHSITUSOUTQI-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736252849 599655833 /nfs/dbraw/zinc/65/58/33/599655833.db2.gz RWDHSITUSOUTQI-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1Cl ZINC000822324096 599656425 /nfs/dbraw/zinc/65/64/25/599656425.db2.gz VDAYKPVZPCYPMT-QGZVFWFLSA-N -1 3 385.855 3.871 20 0 GHADHM Cc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1Cl ZINC000822324096 599656426 /nfs/dbraw/zinc/65/64/26/599656426.db2.gz VDAYKPVZPCYPMT-QGZVFWFLSA-N -1 3 385.855 3.871 20 0 GHADHM CCCCCC[C@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821048414 599664962 /nfs/dbraw/zinc/66/49/62/599664962.db2.gz CPSOKGWSDROAHQ-LBPRGKRZSA-N -1 3 393.875 3.608 20 0 GHADHM CCCCCC[C@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821048414 599664963 /nfs/dbraw/zinc/66/49/63/599664963.db2.gz CPSOKGWSDROAHQ-LBPRGKRZSA-N -1 3 393.875 3.608 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ncoc1-c1ccccc1Cl ZINC000823426628 599667587 /nfs/dbraw/zinc/66/75/87/599667587.db2.gz MJWTYOWFYLHZBW-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ncoc1-c1ccccc1Cl ZINC000823426628 599667588 /nfs/dbraw/zinc/66/75/88/599667588.db2.gz MJWTYOWFYLHZBW-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM C[C@H](NC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820339874 599680010 /nfs/dbraw/zinc/68/00/10/599680010.db2.gz HOCUHECOTNECIO-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@H](NC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820339874 599680011 /nfs/dbraw/zinc/68/00/11/599680011.db2.gz HOCUHECOTNECIO-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820341812 599680721 /nfs/dbraw/zinc/68/07/21/599680721.db2.gz RRQPTKPMCHPNDV-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820341812 599680722 /nfs/dbraw/zinc/68/07/22/599680722.db2.gz RRQPTKPMCHPNDV-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233105 599680912 /nfs/dbraw/zinc/68/09/12/599680912.db2.gz IBPSPOQRYMKSSM-PBHICJAKSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233105 599680913 /nfs/dbraw/zinc/68/09/13/599680913.db2.gz IBPSPOQRYMKSSM-PBHICJAKSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C(C)C)s1 ZINC000822236020 599681820 /nfs/dbraw/zinc/68/18/20/599681820.db2.gz GSZYLVGPAGCMEB-CQSZACIVSA-N -1 3 384.509 3.918 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C(C)C)s1 ZINC000822236020 599681821 /nfs/dbraw/zinc/68/18/21/599681821.db2.gz GSZYLVGPAGCMEB-CQSZACIVSA-N -1 3 384.509 3.918 20 0 GHADHM CSc1ccc(F)cc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821984346 599682709 /nfs/dbraw/zinc/68/27/09/599682709.db2.gz NOLUCVFYFKDDRW-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CSc1ccc(F)cc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821984346 599682710 /nfs/dbraw/zinc/68/27/10/599682710.db2.gz NOLUCVFYFKDDRW-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM COc1ccc2cc([C@@H](C)OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000821854404 599684518 /nfs/dbraw/zinc/68/45/18/599684518.db2.gz IXBXZMSEGCDESF-CQSZACIVSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cc([C@@H](C)OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000821854404 599684519 /nfs/dbraw/zinc/68/45/19/599684519.db2.gz IXBXZMSEGCDESF-CQSZACIVSA-N -1 3 388.427 3.875 20 0 GHADHM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820570900 599690206 /nfs/dbraw/zinc/69/02/06/599690206.db2.gz TUFMKTGIZSQEPD-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CC1(O)CCCC1 ZINC000822211946 599698093 /nfs/dbraw/zinc/69/80/93/599698093.db2.gz VDSIAILJEOWLPC-UHFFFAOYSA-N -1 3 393.447 3.601 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CC1(O)CCCC1 ZINC000822211946 599698094 /nfs/dbraw/zinc/69/80/94/599698094.db2.gz VDSIAILJEOWLPC-UHFFFAOYSA-N -1 3 393.447 3.601 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823350577 599700488 /nfs/dbraw/zinc/70/04/88/599700488.db2.gz RXQAIQJBVGLEOD-PMOLBWCYSA-N -1 3 389.459 3.820 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823350577 599700489 /nfs/dbraw/zinc/70/04/89/599700489.db2.gz RXQAIQJBVGLEOD-PMOLBWCYSA-N -1 3 389.459 3.820 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1cccc(OC)c1 ZINC000737086443 599706311 /nfs/dbraw/zinc/70/63/11/599706311.db2.gz XZIFENHZMMTHTR-LJQANCHMSA-N -1 3 385.464 3.598 20 0 GHADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)OC(C)(C)C ZINC000822183569 607390656 /nfs/dbraw/zinc/39/06/56/607390656.db2.gz HZRJWVCOQKGLET-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)OC(C)(C)C ZINC000822183569 607390658 /nfs/dbraw/zinc/39/06/58/607390658.db2.gz HZRJWVCOQKGLET-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCO3)c2-c2nnn[n-]2)C1 ZINC000819907744 607391429 /nfs/dbraw/zinc/39/14/29/607391429.db2.gz RAXFOQKMMZZXBG-YPMHNXCESA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCO3)c2-c2nn[n-]n2)C1 ZINC000819907744 607391431 /nfs/dbraw/zinc/39/14/31/607391431.db2.gz RAXFOQKMMZZXBG-YPMHNXCESA-N -1 3 389.525 3.587 20 0 GHADHM CSCCc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826229177 607393295 /nfs/dbraw/zinc/39/32/95/607393295.db2.gz SIXZYHGAWAWSQS-UHFFFAOYSA-N -1 3 394.504 3.583 20 0 GHADHM CSCCc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826229177 607393297 /nfs/dbraw/zinc/39/32/97/607393297.db2.gz SIXZYHGAWAWSQS-UHFFFAOYSA-N -1 3 394.504 3.583 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000740025328 599793842 /nfs/dbraw/zinc/79/38/42/599793842.db2.gz QLSASPCIJPCVJA-HXUWFJFHSA-N -1 3 385.439 3.663 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739761221 599829031 /nfs/dbraw/zinc/82/90/31/599829031.db2.gz QRZOPBBCEURADI-FQEVSTJZSA-N -1 3 381.476 3.662 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c2c(n1)onc2C(C)C ZINC000826261958 607412084 /nfs/dbraw/zinc/41/20/84/607412084.db2.gz ZXSMOPJDEGJQOR-UHFFFAOYSA-N -1 3 392.419 3.500 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c2c(n1)onc2C(C)C ZINC000826261958 607412086 /nfs/dbraw/zinc/41/20/86/607412086.db2.gz ZXSMOPJDEGJQOR-UHFFFAOYSA-N -1 3 392.419 3.500 20 0 GHADHM Cc1cccc(OCCCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826300508 607419458 /nfs/dbraw/zinc/41/94/58/607419458.db2.gz XLRWNDWANZPBRT-UHFFFAOYSA-N -1 3 391.475 3.530 20 0 GHADHM Cc1cccc(OCCCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826300508 607419459 /nfs/dbraw/zinc/41/94/59/607419459.db2.gz XLRWNDWANZPBRT-UHFFFAOYSA-N -1 3 391.475 3.530 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826324654 607424041 /nfs/dbraw/zinc/42/40/41/607424041.db2.gz ZXGRUYPFUCSGMM-UHFFFAOYSA-N -1 3 394.504 3.708 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826324654 607424042 /nfs/dbraw/zinc/42/40/42/607424042.db2.gz ZXGRUYPFUCSGMM-UHFFFAOYSA-N -1 3 394.504 3.708 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CC2)CC1 ZINC000736769303 600180632 /nfs/dbraw/zinc/18/06/32/600180632.db2.gz UDITULRKZXWLII-UHFFFAOYSA-N -1 3 379.888 3.766 20 0 GHADHM CC(C)c1ccc(SCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347930 607421858 /nfs/dbraw/zinc/42/18/58/607421858.db2.gz SYPVJTFDONVFNL-UHFFFAOYSA-N -1 3 393.516 3.888 20 0 GHADHM CC(C)c1ccc(SCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347930 607421860 /nfs/dbraw/zinc/42/18/60/607421860.db2.gz SYPVJTFDONVFNL-UHFFFAOYSA-N -1 3 393.516 3.888 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737369108 600286776 /nfs/dbraw/zinc/28/67/76/600286776.db2.gz ZFMJDYYDCQSUGO-UHFFFAOYSA-N -1 3 381.432 3.857 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737994879 600336012 /nfs/dbraw/zinc/33/60/12/600336012.db2.gz MKJGFXIXWMCLMO-UHFFFAOYSA-N -1 3 386.452 3.511 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccsc1 ZINC000737085227 600354349 /nfs/dbraw/zinc/35/43/49/600354349.db2.gz IJZWKCKAZYGCPB-QGZVFWFLSA-N -1 3 390.509 3.720 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1-c1nnn[n-]1 ZINC000820169089 607440506 /nfs/dbraw/zinc/44/05/06/607440506.db2.gz DZCBDRCIXFLBCK-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1-c1nn[n-]n1 ZINC000820169089 607440508 /nfs/dbraw/zinc/44/05/08/607440508.db2.gz DZCBDRCIXFLBCK-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000736466236 600445744 /nfs/dbraw/zinc/44/57/44/600445744.db2.gz SYUPPYFMWDXQOW-MRXNPFEDSA-N -1 3 387.307 3.842 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000736723547 600516219 /nfs/dbraw/zinc/51/62/19/600516219.db2.gz GXWFGHIRZKNRLX-CJNGLKHVSA-N -1 3 387.867 3.995 20 0 GHADHM COc1cccc2c1OC[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C2 ZINC000832576984 600746949 /nfs/dbraw/zinc/74/69/49/600746949.db2.gz ARMBMHUHIRBPAI-LRDDRELGSA-N -1 3 382.243 3.721 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000821401696 607466330 /nfs/dbraw/zinc/46/63/30/607466330.db2.gz ZFYIBUJYULHYBC-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000821401696 607466332 /nfs/dbraw/zinc/46/63/32/607466332.db2.gz ZFYIBUJYULHYBC-UHFFFAOYSA-N -1 3 381.367 3.639 20 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/nfs/dbraw/zinc/15/15/69/601151569.db2.gz SWJAEIYKLGCHLW-FQEVSTJZSA-N -1 3 389.521 3.674 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000820628573 607500175 /nfs/dbraw/zinc/50/01/75/607500175.db2.gz HQSGDJBMDLGHRK-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000820628573 607500177 /nfs/dbraw/zinc/50/01/77/607500177.db2.gz HQSGDJBMDLGHRK-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM CCOc1ccc(-c2nc(CN(C)Cc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000825620547 607511825 /nfs/dbraw/zinc/51/18/25/607511825.db2.gz DDCBJHQBKUKFKU-UHFFFAOYSA-N -1 3 390.447 3.552 20 0 GHADHM CSc1ccc(C)c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832777502 601731336 /nfs/dbraw/zinc/73/13/36/601731336.db2.gz PIPZWRVCNHGUOW-JOCHJYFZSA-N -1 3 398.528 3.566 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CN[C@H](C(=O)[O-])C(C)C)cs1 ZINC000832153098 601824192 /nfs/dbraw/zinc/82/41/92/601824192.db2.gz UDSVIGKQUHMGSW-AWEZNQCLSA-N -1 3 399.310 3.780 20 0 GHADHM COc1ccc(CSCc2cc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000826207783 607534329 /nfs/dbraw/zinc/53/43/29/607534329.db2.gz CXCUYCHMJSBOOF-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1ccc(CSCc2cc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000826207783 607534331 /nfs/dbraw/zinc/53/43/31/607534331.db2.gz CXCUYCHMJSBOOF-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1cc(OC)c(C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)c(OC)c1 ZINC000530163261 601939975 /nfs/dbraw/zinc/93/99/75/601939975.db2.gz GFTXWMOKINQWFB-UHFFFAOYSA-N -1 3 391.489 3.852 20 0 GHADHM COc1cc(NC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc(OC)c1 ZINC000832025722 601964638 /nfs/dbraw/zinc/96/46/38/601964638.db2.gz BLKRLYBBXBSTLK-UHFFFAOYSA-N -1 3 376.478 3.540 20 0 GHADHM C[C@H](CCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400871 607538485 /nfs/dbraw/zinc/53/84/85/607538485.db2.gz LWBBFNUGSIZNFV-OAHLLOKOSA-N -1 3 387.447 3.575 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000832050346 602165610 /nfs/dbraw/zinc/16/56/10/602165610.db2.gz PJORCEWACSGDQP-DIFFPNOSSA-N -1 3 381.375 3.782 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2ccc(Br)cc2C)C(=O)[O-])c1 ZINC000832058060 602171615 /nfs/dbraw/zinc/17/16/15/602171615.db2.gz VAEPZCKGDQOQOZ-QGZVFWFLSA-N -1 3 394.265 3.690 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cccc(N3CCCC3)c2)C(=O)[O-])c1 ZINC000832051985 602176441 /nfs/dbraw/zinc/17/64/41/602176441.db2.gz YMGSCGRTRRHFOW-QVKFZJNVSA-N -1 3 384.476 3.781 20 0 GHADHM CN(C)CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCCC1 ZINC000830604347 602224810 /nfs/dbraw/zinc/22/48/10/602224810.db2.gz MPVKTIMYHGWKQK-UHFFFAOYSA-N -1 3 399.491 3.641 20 0 GHADHM Cc1nc(CN(CCC(=O)[O-])C2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000577513010 602237419 /nfs/dbraw/zinc/23/74/19/602237419.db2.gz TVQCCGOWGFUYRF-UHFFFAOYSA-N -1 3 378.856 3.759 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827687389 602244549 /nfs/dbraw/zinc/24/45/49/602244549.db2.gz LIQJGUHIYYWVIM-ZFWWWQNUSA-N -1 3 380.460 3.649 20 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/nfs/dbraw/zinc/58/79/01/607587901.db2.gz BSIZEWZSYBAFIJ-KHPPLWFESA-N -1 3 399.458 3.630 20 0 GHADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1cc(C)ccc1C ZINC000826283825 607587902 /nfs/dbraw/zinc/58/79/02/607587902.db2.gz BSIZEWZSYBAFIJ-KHPPLWFESA-N -1 3 399.458 3.630 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNC1CCC(NC(=O)[O-])CC1 ZINC000740254365 603089228 /nfs/dbraw/zinc/08/92/28/603089228.db2.gz WFNGQUZHXMYKDE-UHFFFAOYSA-N -1 3 376.888 3.562 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)CCC2CC2)cc1 ZINC000826254917 607617648 /nfs/dbraw/zinc/61/76/48/607617648.db2.gz FSIJPZZHNWVHRF-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)CCC2CC2)cc1 ZINC000826254917 607617649 /nfs/dbraw/zinc/61/76/49/607617649.db2.gz FSIJPZZHNWVHRF-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825918690 607617919 /nfs/dbraw/zinc/61/79/19/607617919.db2.gz JMNVFZYMJZBZDC-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825918690 607617921 /nfs/dbraw/zinc/61/79/21/607617921.db2.gz JMNVFZYMJZBZDC-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccsc1 ZINC000827034441 603326594 /nfs/dbraw/zinc/32/65/94/603326594.db2.gz AQXHWTVJILJWEA-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)N(C)C)cc1 ZINC000830262080 603375514 /nfs/dbraw/zinc/37/55/14/603375514.db2.gz HRXDRBWUSLCIIF-DNVCBOLYSA-N -1 3 384.480 3.748 20 0 GHADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1NC(=O)[O-] ZINC000830186951 603428416 /nfs/dbraw/zinc/42/84/16/603428416.db2.gz MSGGRYKIWVWMKL-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM C[C@@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645413 603636566 /nfs/dbraw/zinc/63/65/66/603636566.db2.gz OCCJPZRKKRIIOZ-RDTXWAMCSA-N -1 3 380.448 3.911 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000826243521 607649447 /nfs/dbraw/zinc/64/94/47/607649447.db2.gz LCOWUPINDFDRNA-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000826243521 607649450 /nfs/dbraw/zinc/64/94/50/607649450.db2.gz LCOWUPINDFDRNA-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2)n1 ZINC000826320933 607669402 /nfs/dbraw/zinc/66/94/02/607669402.db2.gz LBNKEZCIWHGOKE-UHFFFAOYSA-N -1 3 391.460 3.936 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)n1 ZINC000826320933 607669404 /nfs/dbraw/zinc/66/94/04/607669404.db2.gz LBNKEZCIWHGOKE-UHFFFAOYSA-N -1 3 391.460 3.936 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c(C)c2c1 ZINC000826214021 607686094 /nfs/dbraw/zinc/68/60/94/607686094.db2.gz WWKYRKHHBWSVEU-ZDUSSCGKSA-N -1 3 391.431 3.729 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c(C)c2c1 ZINC000826214021 607686096 /nfs/dbraw/zinc/68/60/96/607686096.db2.gz WWKYRKHHBWSVEU-ZDUSSCGKSA-N -1 3 391.431 3.729 20 0 GHADHM FC(F)(F)c1csc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826369117 607686201 /nfs/dbraw/zinc/68/62/01/607686201.db2.gz NJFUMWACABUBDX-UHFFFAOYSA-N -1 3 394.304 3.973 20 0 GHADHM FC(F)(F)c1csc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826369117 607686203 /nfs/dbraw/zinc/68/62/03/607686203.db2.gz NJFUMWACABUBDX-UHFFFAOYSA-N -1 3 394.304 3.973 20 0 GHADHM CCN(Cc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000827186689 604341552 /nfs/dbraw/zinc/34/15/52/604341552.db2.gz BBPKKDRJVQTEBI-UHFFFAOYSA-N -1 3 388.512 3.669 20 0 GHADHM Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000829859834 604377420 /nfs/dbraw/zinc/37/74/20/604377420.db2.gz RYGNDYXGGWPIPV-MPRMVAPJSA-N -1 3 389.887 3.553 20 0 GHADHM COc1cc(N[C@@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3F)C2)cc(OC)c1 ZINC000832026282 604801189 /nfs/dbraw/zinc/80/11/89/604801189.db2.gz KVRJCXNGYQRCOA-JLTOFOAXSA-N -1 3 388.439 3.545 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000652499956 604931405 /nfs/dbraw/zinc/93/14/05/604931405.db2.gz UILAVSCVSHSVOP-LBPRGKRZSA-N -1 3 384.270 3.501 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824802057 607724866 /nfs/dbraw/zinc/72/48/66/607724866.db2.gz KVQHZVMEVQIIRZ-QGZVFWFLSA-N -1 3 397.523 3.843 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825075160 607744933 /nfs/dbraw/zinc/74/49/33/607744933.db2.gz MYHDLRWGFHOHOJ-LBPRGKRZSA-N -1 3 385.399 3.552 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825075160 607744934 /nfs/dbraw/zinc/74/49/34/607744934.db2.gz MYHDLRWGFHOHOJ-LBPRGKRZSA-N -1 3 385.399 3.552 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427343 607751333 /nfs/dbraw/zinc/75/13/33/607751333.db2.gz MZGQLLZRVYHPOG-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427343 607751334 /nfs/dbraw/zinc/75/13/34/607751334.db2.gz MZGQLLZRVYHPOG-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1-c1nnn[n-]1 ZINC000825540493 607757618 /nfs/dbraw/zinc/75/76/18/607757618.db2.gz ZFLHJVFQGDXUPK-UHFFFAOYSA-N -1 3 395.423 3.642 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1-c1nn[n-]n1 ZINC000825540493 607757619 /nfs/dbraw/zinc/75/76/19/607757619.db2.gz ZFLHJVFQGDXUPK-UHFFFAOYSA-N -1 3 395.423 3.642 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2(CC(C)C)CCC2)cc1-c1nnn[n-]1 ZINC000825530832 607759219 /nfs/dbraw/zinc/75/92/19/607759219.db2.gz GIUFVAJBPJDHBK-UHFFFAOYSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2(CC(C)C)CCC2)cc1-c1nn[n-]n1 ZINC000825530832 607759220 /nfs/dbraw/zinc/75/92/20/607759220.db2.gz GIUFVAJBPJDHBK-UHFFFAOYSA-N -1 3 386.456 3.590 20 0 GHADHM O=C([O-])NC[C@@H]1CCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000834225945 605573268 /nfs/dbraw/zinc/57/32/68/605573268.db2.gz QAPRCMYNDMRSTB-HNNXBMFYSA-N -1 3 387.867 3.682 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826267507 607767526 /nfs/dbraw/zinc/76/75/26/607767526.db2.gz IUCNKNGHRKJOPF-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826267507 607767527 /nfs/dbraw/zinc/76/75/27/607767527.db2.gz IUCNKNGHRKJOPF-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000826249674 607768907 /nfs/dbraw/zinc/76/89/07/607768907.db2.gz OECWFTQDJXGMEM-UHFFFAOYSA-N -1 3 399.458 3.566 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000826249674 607768908 /nfs/dbraw/zinc/76/89/08/607768908.db2.gz OECWFTQDJXGMEM-UHFFFAOYSA-N -1 3 399.458 3.566 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824928524 607769348 /nfs/dbraw/zinc/76/93/48/607769348.db2.gz ULFDPSUTLDAZCN-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824928524 607769349 /nfs/dbraw/zinc/76/93/49/607769349.db2.gz ULFDPSUTLDAZCN-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(Cl)n1 ZINC000826282226 607770531 /nfs/dbraw/zinc/77/05/31/607770531.db2.gz DMNZAHSJDCKGOY-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(Cl)n1 ZINC000826282226 607770532 /nfs/dbraw/zinc/77/05/32/607770532.db2.gz DMNZAHSJDCKGOY-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc21 ZINC000834157187 605802248 /nfs/dbraw/zinc/80/22/48/605802248.db2.gz GWDZCDXVQNZXLU-LEWJYISDSA-N -1 3 393.487 3.856 20 0 GHADHM CCCCC[C@H](O)CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821049319 606020653 /nfs/dbraw/zinc/02/06/53/606020653.db2.gz KPHFTLNMXQMNBX-INIZCTEOSA-N -1 3 399.520 3.543 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822230488 606031592 /nfs/dbraw/zinc/03/15/92/606031592.db2.gz IFKKLFMMULNSSD-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822230488 606031596 /nfs/dbraw/zinc/03/15/96/606031596.db2.gz IFKKLFMMULNSSD-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM c1ccc2nc(NCc3ccc(OC4CCCC4)nc3)c(-c3nnn[n-]3)cc2c1 ZINC000823801994 606053661 /nfs/dbraw/zinc/05/36/61/606053661.db2.gz FDGRTXYUWWASOU-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1ccc2nc(NCc3ccc(OC4CCCC4)nc3)c(-c3nn[n-]n3)cc2c1 ZINC000823801994 606053664 /nfs/dbraw/zinc/05/36/64/606053664.db2.gz FDGRTXYUWWASOU-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM Clc1ccc([C@H]2CCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822574755 606098714 /nfs/dbraw/zinc/09/87/14/606098714.db2.gz YOFZSIMXKIAGRT-MRXNPFEDSA-N -1 3 393.838 3.517 20 0 GHADHM Clc1ccc([C@H]2CCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822574755 606098718 /nfs/dbraw/zinc/09/87/18/606098718.db2.gz YOFZSIMXKIAGRT-MRXNPFEDSA-N -1 3 393.838 3.517 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000471941174 606102481 /nfs/dbraw/zinc/10/24/81/606102481.db2.gz FGFYQHQTKSMKRL-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000471941174 606102482 /nfs/dbraw/zinc/10/24/82/606102482.db2.gz FGFYQHQTKSMKRL-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821389890 606122859 /nfs/dbraw/zinc/12/28/59/606122859.db2.gz QWIVSYROUSALOH-VIFPVBQESA-N -1 3 378.841 3.689 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821389890 606122860 /nfs/dbraw/zinc/12/28/60/606122860.db2.gz QWIVSYROUSALOH-VIFPVBQESA-N -1 3 378.841 3.689 20 0 GHADHM O=C(CSCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823061103 606131249 /nfs/dbraw/zinc/13/12/49/606131249.db2.gz VXMVNBOCMBRLOZ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823061103 606131250 /nfs/dbraw/zinc/13/12/50/606131250.db2.gz VXMVNBOCMBRLOZ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2cccnc2)cc1 ZINC000820322064 606148638 /nfs/dbraw/zinc/14/86/38/606148638.db2.gz QHDGGNWTSPQIDS-AHKFDXCISA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2cccnc2)cc1 ZINC000820322064 606148640 /nfs/dbraw/zinc/14/86/40/606148640.db2.gz QHDGGNWTSPQIDS-AHKFDXCISA-N -1 3 396.454 3.819 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823367992 606150659 /nfs/dbraw/zinc/15/06/59/606150659.db2.gz QIHMWQRQETYKFO-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823367992 606150661 /nfs/dbraw/zinc/15/06/61/606150661.db2.gz QIHMWQRQETYKFO-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823246385 606197267 /nfs/dbraw/zinc/19/72/67/606197267.db2.gz NISCZHTZWILYLS-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823246385 606197268 /nfs/dbraw/zinc/19/72/68/606197268.db2.gz NISCZHTZWILYLS-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM CC(C)CCCCCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820072861 606226754 /nfs/dbraw/zinc/22/67/54/606226754.db2.gz MEAAXHRLRCMPPW-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM CC(C)CCCCCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820072861 606226756 /nfs/dbraw/zinc/22/67/56/606226756.db2.gz MEAAXHRLRCMPPW-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000822200794 606237122 /nfs/dbraw/zinc/23/71/22/606237122.db2.gz BBGHJWLOPZWMIF-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000822200794 606237123 /nfs/dbraw/zinc/23/71/23/606237123.db2.gz BBGHJWLOPZWMIF-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823357703 606259774 /nfs/dbraw/zinc/25/97/74/606259774.db2.gz ZFSHHYRTZCHQAL-HUUCEWRRSA-N -1 3 379.395 3.783 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823357703 606259776 /nfs/dbraw/zinc/25/97/76/606259776.db2.gz ZFSHHYRTZCHQAL-HUUCEWRRSA-N -1 3 379.395 3.783 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)o2)cc1 ZINC000819832951 606262367 /nfs/dbraw/zinc/26/23/67/606262367.db2.gz DCURKPAZZBCXAJ-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)o2)cc1 ZINC000819832951 606262369 /nfs/dbraw/zinc/26/23/69/606262369.db2.gz DCURKPAZZBCXAJ-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823060485 606265655 /nfs/dbraw/zinc/26/56/55/606265655.db2.gz DIBNXYIMFKJBGE-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823060485 606265656 /nfs/dbraw/zinc/26/56/56/606265656.db2.gz DIBNXYIMFKJBGE-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)ccc2c1 ZINC000821853812 606271653 /nfs/dbraw/zinc/27/16/53/606271653.db2.gz ALGHPLOWAWLLOQ-YCRREMRBSA-N -1 3 389.390 3.820 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)ccc2c1 ZINC000821853812 606271654 /nfs/dbraw/zinc/27/16/54/606271654.db2.gz ALGHPLOWAWLLOQ-YCRREMRBSA-N -1 3 389.390 3.820 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823488876 606279821 /nfs/dbraw/zinc/27/98/21/606279821.db2.gz WYCBBNBSDDZTOI-YOEHRIQHSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823488876 606279822 /nfs/dbraw/zinc/27/98/22/606279822.db2.gz WYCBBNBSDDZTOI-YOEHRIQHSA-N -1 3 377.473 3.642 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821475862 606280182 /nfs/dbraw/zinc/28/01/82/606280182.db2.gz BFZXLBVVWINSCM-UHFFFAOYSA-N -1 3 381.505 3.573 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821475862 606280180 /nfs/dbraw/zinc/28/01/80/606280180.db2.gz BFZXLBVVWINSCM-UHFFFAOYSA-N -1 3 381.505 3.573 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000821118212 606281142 /nfs/dbraw/zinc/28/11/42/606281142.db2.gz IQXWUUPWDLXGAE-ZIAGYGMSSA-N -1 3 398.417 3.709 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OC2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645449 606300725 /nfs/dbraw/zinc/30/07/25/606300725.db2.gz ZWVAWPXVJINLSO-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OC2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645449 606300726 /nfs/dbraw/zinc/30/07/26/606300726.db2.gz ZWVAWPXVJINLSO-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM O=C1[C@@H](SCc2cccc(Cl)c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512383 606311461 /nfs/dbraw/zinc/31/14/61/606311461.db2.gz OHJHSEPCKMSCPQ-ZDUSSCGKSA-N -1 3 391.909 3.620 20 0 GHADHM O=C1[C@@H](SCc2cccc(Cl)c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512383 606311463 /nfs/dbraw/zinc/31/14/63/606311463.db2.gz OHJHSEPCKMSCPQ-ZDUSSCGKSA-N -1 3 391.909 3.620 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823372605 606317448 /nfs/dbraw/zinc/31/74/48/606317448.db2.gz HKWBYHJEZKVWSS-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823372605 606317450 /nfs/dbraw/zinc/31/74/50/606317450.db2.gz HKWBYHJEZKVWSS-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820556577 606328842 /nfs/dbraw/zinc/32/88/42/606328842.db2.gz UMFKENNUZKEECR-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820556577 606328844 /nfs/dbraw/zinc/32/88/44/606328844.db2.gz UMFKENNUZKEECR-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM O=C([C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1)N1CCCCC1 ZINC000822912064 606329653 /nfs/dbraw/zinc/32/96/53/606329653.db2.gz KQRXKYYQSSLCMX-SFHVURJKSA-N -1 3 379.489 3.713 20 0 GHADHM O=C([C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1)N1CCCCC1 ZINC000822912064 606329654 /nfs/dbraw/zinc/32/96/54/606329654.db2.gz KQRXKYYQSSLCMX-SFHVURJKSA-N -1 3 379.489 3.713 20 0 GHADHM C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820501047 606351396 /nfs/dbraw/zinc/35/13/96/606351396.db2.gz HNGOEWUUPCKHHN-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820501047 606351398 /nfs/dbraw/zinc/35/13/98/606351398.db2.gz HNGOEWUUPCKHHN-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM COc1ccc(SCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821846246 606353540 /nfs/dbraw/zinc/35/35/40/606353540.db2.gz ONBASEPMMOYWGT-ZDUSSCGKSA-N -1 3 384.461 3.662 20 0 GHADHM COc1ccc(SCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821846246 606353541 /nfs/dbraw/zinc/35/35/41/606353541.db2.gz ONBASEPMMOYWGT-ZDUSSCGKSA-N -1 3 384.461 3.662 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820667714 606358555 /nfs/dbraw/zinc/35/85/55/606358555.db2.gz NPFKGYUYBYTCMJ-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820667714 606358557 /nfs/dbraw/zinc/35/85/57/606358557.db2.gz NPFKGYUYBYTCMJ-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM CS/C=C\C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000821956554 606361588 /nfs/dbraw/zinc/36/15/88/606361588.db2.gz RGLVLBXPAUSYGE-HJWRWDBZSA-N -1 3 383.452 3.724 20 0 GHADHM CS/C=C\C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000821956554 606361589 /nfs/dbraw/zinc/36/15/89/606361589.db2.gz RGLVLBXPAUSYGE-HJWRWDBZSA-N -1 3 383.452 3.724 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820390886 606362644 /nfs/dbraw/zinc/36/26/44/606362644.db2.gz MCMDTZMYMWCBKS-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820390886 606362645 /nfs/dbraw/zinc/36/26/45/606362645.db2.gz MCMDTZMYMWCBKS-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821014294 606367576 /nfs/dbraw/zinc/36/75/76/606367576.db2.gz DETVQNHTKLUCHK-CABCVRRESA-N -1 3 379.464 3.606 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821014294 606367577 /nfs/dbraw/zinc/36/75/77/606367577.db2.gz DETVQNHTKLUCHK-CABCVRRESA-N -1 3 379.464 3.606 20 0 GHADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569735 606412112 /nfs/dbraw/zinc/41/21/12/606412112.db2.gz UDPDINBKZRNDSY-CMDGGOBGSA-N -1 3 396.863 3.806 20 0 GHADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569735 606412113 /nfs/dbraw/zinc/41/21/13/606412113.db2.gz UDPDINBKZRNDSY-CMDGGOBGSA-N -1 3 396.863 3.806 20 0 GHADHM CN(C(=O)c1ccccc1C(F)(F)F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574792 606412640 /nfs/dbraw/zinc/41/26/40/606412640.db2.gz XIMIGYXFLVNAFA-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccccc1C(F)(F)F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574792 606412642 /nfs/dbraw/zinc/41/26/42/606412642.db2.gz XIMIGYXFLVNAFA-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM Fc1cccc(OC(F)F)c1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000822792218 606420795 /nfs/dbraw/zinc/42/07/95/606420795.db2.gz RJVQFKZSJYGOHB-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM Fc1cccc(OC(F)F)c1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000822792218 606420796 /nfs/dbraw/zinc/42/07/96/606420796.db2.gz RJVQFKZSJYGOHB-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820743266 606430079 /nfs/dbraw/zinc/43/00/79/606430079.db2.gz SJSIJUAMPKQYHE-GASCZTMLSA-N -1 3 393.516 3.887 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820743266 606430081 /nfs/dbraw/zinc/43/00/81/606430081.db2.gz SJSIJUAMPKQYHE-GASCZTMLSA-N -1 3 393.516 3.887 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823149779 606450952 /nfs/dbraw/zinc/45/09/52/606450952.db2.gz GJGPLPRAGPLOLN-UHFFFAOYSA-N -1 3 376.464 3.541 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823149779 606450954 /nfs/dbraw/zinc/45/09/54/606450954.db2.gz GJGPLPRAGPLOLN-UHFFFAOYSA-N -1 3 376.464 3.541 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455714 606454865 /nfs/dbraw/zinc/45/48/65/606454865.db2.gz MLEIPOLDKVBBKN-MRVPVSSYSA-N -1 3 389.341 3.641 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455714 606454868 /nfs/dbraw/zinc/45/48/68/606454868.db2.gz MLEIPOLDKVBBKN-MRVPVSSYSA-N -1 3 389.341 3.641 20 0 GHADHM O=C(Oc1ccc2ccc(C(F)(F)F)nc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454314 606463969 /nfs/dbraw/zinc/46/39/69/606463969.db2.gz NGBHASWOLJFOQS-UHFFFAOYSA-N -1 3 391.334 3.714 20 0 GHADHM O=C(Oc1ccc2ccc(C(F)(F)F)nc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454314 606463971 /nfs/dbraw/zinc/46/39/71/606463971.db2.gz NGBHASWOLJFOQS-UHFFFAOYSA-N -1 3 391.334 3.714 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000823472512 606483198 /nfs/dbraw/zinc/48/31/98/606483198.db2.gz PAGHJXQCJVNXAT-UHFFFAOYSA-N -1 3 396.501 3.558 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000823472512 606483202 /nfs/dbraw/zinc/48/32/02/606483202.db2.gz PAGHJXQCJVNXAT-UHFFFAOYSA-N -1 3 396.501 3.558 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299357 606487888 /nfs/dbraw/zinc/48/78/88/606487888.db2.gz TZUZLYLWJWXZAZ-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299357 606487890 /nfs/dbraw/zinc/48/78/90/606487890.db2.gz TZUZLYLWJWXZAZ-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820939877 606488901 /nfs/dbraw/zinc/48/89/01/606488901.db2.gz ZZIFHJLEDJIPBT-CQSZACIVSA-N -1 3 383.477 3.521 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820939877 606488903 /nfs/dbraw/zinc/48/89/03/606488903.db2.gz ZZIFHJLEDJIPBT-CQSZACIVSA-N -1 3 383.477 3.521 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1c1ccco1 ZINC000822732999 606492723 /nfs/dbraw/zinc/49/27/23/606492723.db2.gz QBEGCTTUPQDRJR-CQSZACIVSA-N -1 3 375.379 3.788 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1ccco1 ZINC000822732999 606492724 /nfs/dbraw/zinc/49/27/24/606492724.db2.gz QBEGCTTUPQDRJR-CQSZACIVSA-N -1 3 375.379 3.788 20 0 GHADHM CC(C)[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820015631 606504728 /nfs/dbraw/zinc/50/47/28/606504728.db2.gz DTPLIYZNQLYBFD-SFHVURJKSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820015631 606504730 /nfs/dbraw/zinc/50/47/30/606504730.db2.gz DTPLIYZNQLYBFD-SFHVURJKSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000820016384 606504778 /nfs/dbraw/zinc/50/47/78/606504778.db2.gz LLPULWGDRIESAB-SFHVURJKSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000820016384 606504780 /nfs/dbraw/zinc/50/47/80/606504780.db2.gz LLPULWGDRIESAB-SFHVURJKSA-N -1 3 383.883 3.918 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821134474 606522790 /nfs/dbraw/zinc/52/27/90/606522790.db2.gz WUEGYEQLIRQRIQ-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821134474 606522792 /nfs/dbraw/zinc/52/27/92/606522792.db2.gz WUEGYEQLIRQRIQ-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819764178 606523025 /nfs/dbraw/zinc/52/30/25/606523025.db2.gz GPMALAUDLMXKAP-OWBHPGMISA-N -1 3 377.423 3.600 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819764178 606523027 /nfs/dbraw/zinc/52/30/27/606523027.db2.gz GPMALAUDLMXKAP-OWBHPGMISA-N -1 3 377.423 3.600 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821100108 606524811 /nfs/dbraw/zinc/52/48/11/606524811.db2.gz UCUQRNSLGOVWRH-XQRVVYSFSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000821100108 606524812 /nfs/dbraw/zinc/52/48/12/606524812.db2.gz UCUQRNSLGOVWRH-XQRVVYSFSA-N -1 3 379.439 3.848 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCCC1 ZINC000819868523 606525733 /nfs/dbraw/zinc/52/57/33/606525733.db2.gz ZKZRZOVLSLTALV-ZDUSSCGKSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820564309 606526726 /nfs/dbraw/zinc/52/67/26/606526726.db2.gz ZIRMMRBSOQTVLX-QWRGUYRKSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820564309 606526728 /nfs/dbraw/zinc/52/67/28/606526728.db2.gz ZIRMMRBSOQTVLX-QWRGUYRKSA-N -1 3 375.885 3.846 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccccc1Oc1ccccc1 ZINC000823098852 606538195 /nfs/dbraw/zinc/53/81/95/606538195.db2.gz SUYDEAWADUATTA-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccccc1Oc1ccccc1 ZINC000823098852 606538197 /nfs/dbraw/zinc/53/81/97/606538197.db2.gz SUYDEAWADUATTA-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM CCC1(CNC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CC1 ZINC000820962623 606544420 /nfs/dbraw/zinc/54/44/20/606544420.db2.gz WBTZELKESUDZLB-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM CCC1(CNC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CC1 ZINC000820962623 606544421 /nfs/dbraw/zinc/54/44/21/606544421.db2.gz WBTZELKESUDZLB-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM C[C@@H](CNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000820261297 606545298 /nfs/dbraw/zinc/54/52/98/606545298.db2.gz MDUSNMYUWWZSDR-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM C[C@@H](CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000820261297 606545299 /nfs/dbraw/zinc/54/52/99/606545299.db2.gz MDUSNMYUWWZSDR-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822945765 606549225 /nfs/dbraw/zinc/54/92/25/606549225.db2.gz QAAYWNCFKJKWDZ-RQOWECAXSA-N -1 3 389.337 3.649 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822945765 606549227 /nfs/dbraw/zinc/54/92/27/606549227.db2.gz QAAYWNCFKJKWDZ-RQOWECAXSA-N -1 3 389.337 3.649 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(COCc2ccccc2)cc1 ZINC000823103256 606573569 /nfs/dbraw/zinc/57/35/69/606573569.db2.gz BWUPDBZCYXVUBA-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(COCc2ccccc2)cc1 ZINC000823103256 606573571 /nfs/dbraw/zinc/57/35/71/606573571.db2.gz BWUPDBZCYXVUBA-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)[C@@H]1C ZINC000820717919 606574260 /nfs/dbraw/zinc/57/42/60/606574260.db2.gz YSWZTJYZIPUNPU-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)[C@@H]1C ZINC000820717919 606574262 /nfs/dbraw/zinc/57/42/62/606574262.db2.gz YSWZTJYZIPUNPU-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820017495 606575095 /nfs/dbraw/zinc/57/50/95/606575095.db2.gz YKWMCCJSAOBZSF-QGZVFWFLSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820017495 606575098 /nfs/dbraw/zinc/57/50/98/606575098.db2.gz YKWMCCJSAOBZSF-QGZVFWFLSA-N -1 3 387.846 3.715 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822034817 606581607 /nfs/dbraw/zinc/58/16/07/606581607.db2.gz LUOJXKFOHZUZOQ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822034817 606581609 /nfs/dbraw/zinc/58/16/09/606581609.db2.gz LUOJXKFOHZUZOQ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2sccc21 ZINC000822733272 606589677 /nfs/dbraw/zinc/58/96/77/606589677.db2.gz WFBXZYKNUNNEDL-UHFFFAOYSA-N -1 3 392.416 3.765 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2sccc21 ZINC000822733272 606589679 /nfs/dbraw/zinc/58/96/79/606589679.db2.gz WFBXZYKNUNNEDL-UHFFFAOYSA-N -1 3 392.416 3.765 20 0 GHADHM CO[C@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cs1 ZINC000821675261 606593642 /nfs/dbraw/zinc/59/36/42/606593642.db2.gz HMOLZOXOSFJVND-MRVPVSSYSA-N -1 3 384.387 3.662 20 0 GHADHM c1sc(CCc2ccccc2)nc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000823780958 606601695 /nfs/dbraw/zinc/60/16/95/606601695.db2.gz XHBNADAJPLUYOF-UHFFFAOYSA-N -1 3 380.502 3.796 20 0 GHADHM c1sc(CCc2ccccc2)nc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000823780958 606601696 /nfs/dbraw/zinc/60/16/96/606601696.db2.gz XHBNADAJPLUYOF-UHFFFAOYSA-N -1 3 380.502 3.796 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819764067 606601707 /nfs/dbraw/zinc/60/17/07/606601707.db2.gz DRKXNLIKJCLDLY-ZRDIBKRKSA-N -1 3 385.374 3.534 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819764067 606601708 /nfs/dbraw/zinc/60/17/08/606601708.db2.gz DRKXNLIKJCLDLY-ZRDIBKRKSA-N -1 3 385.374 3.534 20 0 GHADHM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148875 606602100 /nfs/dbraw/zinc/60/21/00/606602100.db2.gz PPVRBAGRZLNCFH-HOTGVXAUSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148875 606602101 /nfs/dbraw/zinc/60/21/01/606602101.db2.gz PPVRBAGRZLNCFH-HOTGVXAUSA-N -1 3 393.491 3.979 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000822930196 606605489 /nfs/dbraw/zinc/60/54/89/606605489.db2.gz YNSKWQKOQHDZON-SNGWPZLWSA-N -1 3 379.386 3.507 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000822930196 606605491 /nfs/dbraw/zinc/60/54/91/606605491.db2.gz YNSKWQKOQHDZON-SNGWPZLWSA-N -1 3 379.386 3.507 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821608723 606619793 /nfs/dbraw/zinc/61/97/93/606619793.db2.gz RWJNZHWSWOTQDY-UHFFFAOYSA-N -1 3 383.883 3.747 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821608723 606619794 /nfs/dbraw/zinc/61/97/94/606619794.db2.gz RWJNZHWSWOTQDY-UHFFFAOYSA-N -1 3 383.883 3.747 20 0 GHADHM Cc1ccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(OC(C)(C)C)c1 ZINC000822237403 606622501 /nfs/dbraw/zinc/62/25/01/606622501.db2.gz RYNQXHQVEAIARN-UHFFFAOYSA-N -1 3 393.491 3.601 20 0 GHADHM Cc1ccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(OC(C)(C)C)c1 ZINC000822237403 606622503 /nfs/dbraw/zinc/62/25/03/606622503.db2.gz RYNQXHQVEAIARN-UHFFFAOYSA-N -1 3 393.491 3.601 20 0 GHADHM Clc1ccc(SCc2nc(-c3cccs3)no2)c(-c2nnn[n-]2)c1 ZINC000822578741 606628795 /nfs/dbraw/zinc/62/87/95/606628795.db2.gz PCVFSKWVIIBTOG-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1ccc(SCc2nc(-c3cccs3)no2)c(-c2nn[n-]n2)c1 ZINC000822578741 606628796 /nfs/dbraw/zinc/62/87/96/606628796.db2.gz PCVFSKWVIIBTOG-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2(C)CCC2)cc1 ZINC000821702083 606630642 /nfs/dbraw/zinc/63/06/42/606630642.db2.gz HBKFUSYXXUXONW-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2(C)CCC2)cc1 ZINC000821702083 606630643 /nfs/dbraw/zinc/63/06/43/606630643.db2.gz HBKFUSYXXUXONW-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000823065781 606631036 /nfs/dbraw/zinc/63/10/36/606631036.db2.gz BLMJSKWJBAULGI-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000823065781 606631038 /nfs/dbraw/zinc/63/10/38/606631038.db2.gz BLMJSKWJBAULGI-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CCCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(C)(C)C ZINC000821083282 606660650 /nfs/dbraw/zinc/66/06/50/606660650.db2.gz WSVPUEISEVDWIJ-UHFFFAOYSA-N -1 3 383.452 3.689 20 0 GHADHM CCCN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(C)(C)C ZINC000821083282 606660651 /nfs/dbraw/zinc/66/06/51/606660651.db2.gz WSVPUEISEVDWIJ-UHFFFAOYSA-N -1 3 383.452 3.689 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820121598 606670185 /nfs/dbraw/zinc/67/01/85/606670185.db2.gz RCUFJSGTIJZDBJ-UHFFFAOYSA-N -1 3 391.809 3.849 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820121598 606670186 /nfs/dbraw/zinc/67/01/86/606670186.db2.gz RCUFJSGTIJZDBJ-UHFFFAOYSA-N -1 3 391.809 3.849 20 0 GHADHM O=C(Nc1ccccc1OC1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372657 606673135 /nfs/dbraw/zinc/67/31/35/606673135.db2.gz JKVUNNLJFKUARZ-UHFFFAOYSA-N -1 3 385.374 3.719 20 0 GHADHM O=C(Nc1ccccc1OC1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372657 606673136 /nfs/dbraw/zinc/67/31/36/606673136.db2.gz JKVUNNLJFKUARZ-UHFFFAOYSA-N -1 3 385.374 3.719 20 0 GHADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821681721 606673817 /nfs/dbraw/zinc/67/38/17/606673817.db2.gz QLWNPWRUGXMTGD-ZDUSSCGKSA-N -1 3 381.436 3.579 20 0 GHADHM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821681721 606673818 /nfs/dbraw/zinc/67/38/18/606673818.db2.gz QLWNPWRUGXMTGD-ZDUSSCGKSA-N -1 3 381.436 3.579 20 0 GHADHM O=C(OCc1cnc(-c2ccccc2)s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440223 606678603 /nfs/dbraw/zinc/67/86/03/606678603.db2.gz IJQABGSUPXVHFT-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cnc(-c2ccccc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440223 606678604 /nfs/dbraw/zinc/67/86/04/606678604.db2.gz IJQABGSUPXVHFT-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822233663 606683797 /nfs/dbraw/zinc/68/37/97/606683797.db2.gz SOFHWIFXPKAWHP-BONVTDFDSA-N -1 3 387.390 3.660 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822233663 606683798 /nfs/dbraw/zinc/68/37/98/606683798.db2.gz SOFHWIFXPKAWHP-BONVTDFDSA-N -1 3 387.390 3.660 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccccc1Br ZINC000823477818 606690884 /nfs/dbraw/zinc/69/08/84/606690884.db2.gz CJKOVQULIJFCEP-MRXNPFEDSA-N -1 3 398.264 3.607 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccccc1Br ZINC000823477818 606690885 /nfs/dbraw/zinc/69/08/85/606690885.db2.gz CJKOVQULIJFCEP-MRXNPFEDSA-N -1 3 398.264 3.607 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820818892 606691850 /nfs/dbraw/zinc/69/18/50/606691850.db2.gz CDWQNJDGHZURNU-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820818892 606691851 /nfs/dbraw/zinc/69/18/51/606691851.db2.gz CDWQNJDGHZURNU-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820988837 606696383 /nfs/dbraw/zinc/69/63/83/606696383.db2.gz HNVXKZIGXRMWPJ-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000820988837 606696384 /nfs/dbraw/zinc/69/63/84/606696384.db2.gz HNVXKZIGXRMWPJ-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM Cc1c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cccc1C(F)(F)F ZINC000822075813 606739650 /nfs/dbraw/zinc/73/96/50/606739650.db2.gz JFCQLYKZMKPWOY-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822075813 606739652 /nfs/dbraw/zinc/73/96/52/606739652.db2.gz JFCQLYKZMKPWOY-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000822137258 606793195 /nfs/dbraw/zinc/79/31/95/606793195.db2.gz VATSBJSKQUIIOB-QGZVFWFLSA-N -1 3 375.432 3.806 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000822137258 606793198 /nfs/dbraw/zinc/79/31/98/606793198.db2.gz VATSBJSKQUIIOB-QGZVFWFLSA-N -1 3 375.432 3.806 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231083 606807474 /nfs/dbraw/zinc/80/74/74/606807474.db2.gz ZGPCHFPFFKAIEB-OXJNMPFZSA-N -1 3 391.475 3.615 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000819834657 606851097 /nfs/dbraw/zinc/85/10/97/606851097.db2.gz QKIWYPLDPOVQRT-UHFFFAOYSA-N -1 3 389.868 3.643 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000819834657 606851099 /nfs/dbraw/zinc/85/10/99/606851099.db2.gz QKIWYPLDPOVQRT-UHFFFAOYSA-N -1 3 389.868 3.643 20 0 GHADHM Cc1ccnc(-c2cccc(NCCCOc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822374450 606865555 /nfs/dbraw/zinc/86/55/55/606865555.db2.gz XMSHGNYTCDBCNW-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM Cc1ccnc(-c2cccc(NCCCOc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822374450 606865556 /nfs/dbraw/zinc/86/55/56/606865556.db2.gz XMSHGNYTCDBCNW-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM C[C@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356921 606870727 /nfs/dbraw/zinc/87/07/27/606870727.db2.gz CMDNSIUYTHHDCW-INIZCTEOSA-N -1 3 390.491 3.640 20 0 GHADHM C[C@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356921 606870728 /nfs/dbraw/zinc/87/07/28/606870728.db2.gz CMDNSIUYTHHDCW-INIZCTEOSA-N -1 3 390.491 3.640 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000821040689 606872752 /nfs/dbraw/zinc/87/27/52/606872752.db2.gz PMTBZKGWIBSIKY-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000821040689 606872754 /nfs/dbraw/zinc/87/27/54/606872754.db2.gz PMTBZKGWIBSIKY-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM O[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823690665 606878285 /nfs/dbraw/zinc/87/82/85/606878285.db2.gz RBYBJBZUZRLYEI-INIZCTEOSA-N -1 3 388.456 3.775 20 0 GHADHM O[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823690665 606878288 /nfs/dbraw/zinc/87/82/88/606878288.db2.gz RBYBJBZUZRLYEI-INIZCTEOSA-N -1 3 388.456 3.775 20 0 GHADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(OCC(F)(F)F)c1 ZINC000822258910 606928081 /nfs/dbraw/zinc/92/80/81/606928081.db2.gz HFDXMPHNFMJUQO-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(OCC(F)(F)F)c1 ZINC000822258910 606928082 /nfs/dbraw/zinc/92/80/82/606928082.db2.gz HFDXMPHNFMJUQO-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM O[C@@H](CN1CCCSc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682717 606930874 /nfs/dbraw/zinc/93/08/74/606930874.db2.gz UHJHPDXIANZQJV-INIZCTEOSA-N -1 3 387.896 3.556 20 0 GHADHM O[C@@H](CN1CCCSc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682717 606930875 /nfs/dbraw/zinc/93/08/75/606930875.db2.gz UHJHPDXIANZQJV-INIZCTEOSA-N -1 3 387.896 3.556 20 0 GHADHM CN(C(=O)C[C@H]1CCc2ccccc2C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569559 606960676 /nfs/dbraw/zinc/96/06/76/606960676.db2.gz ODAIJKWGISSXNO-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM CN(C(=O)C[C@H]1CCc2ccccc2C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569559 606960677 /nfs/dbraw/zinc/96/06/77/606960677.db2.gz ODAIJKWGISSXNO-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM CN(C(=O)c1cnc(-c2ccco2)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574666 606961755 /nfs/dbraw/zinc/96/17/55/606961755.db2.gz RADZPZMAKQZHDL-UHFFFAOYSA-N -1 3 386.824 3.513 20 0 GHADHM CN(C(=O)c1cnc(-c2ccco2)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574666 606961756 /nfs/dbraw/zinc/96/17/56/606961756.db2.gz RADZPZMAKQZHDL-UHFFFAOYSA-N -1 3 386.824 3.513 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820352620 606967668 /nfs/dbraw/zinc/96/76/68/606967668.db2.gz WWXVWTLKRLVZIJ-QRWLVFNGSA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820352620 606967669 /nfs/dbraw/zinc/96/76/69/606967669.db2.gz WWXVWTLKRLVZIJ-QRWLVFNGSA-N -1 3 390.491 3.893 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000821574620 606974020 /nfs/dbraw/zinc/97/40/20/606974020.db2.gz OXTZKUPQQSVWSH-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000821574620 606974021 /nfs/dbraw/zinc/97/40/21/606974021.db2.gz OXTZKUPQQSVWSH-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000821449746 606986959 /nfs/dbraw/zinc/98/69/59/606986959.db2.gz XEUGLSJILFFODC-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000821449746 606986960 /nfs/dbraw/zinc/98/69/60/606986960.db2.gz XEUGLSJILFFODC-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822263528 606993040 /nfs/dbraw/zinc/99/30/40/606993040.db2.gz RHUAQOXWVREVEA-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822263528 606993041 /nfs/dbraw/zinc/99/30/41/606993041.db2.gz RHUAQOXWVREVEA-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820211043 607006063 /nfs/dbraw/zinc/00/60/63/607006063.db2.gz APWSQDRKJACXTA-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820211043 607006065 /nfs/dbraw/zinc/00/60/65/607006065.db2.gz APWSQDRKJACXTA-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314817 607009923 /nfs/dbraw/zinc/00/99/23/607009923.db2.gz KHGGRDJPPVZBJK-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314817 607009924 /nfs/dbraw/zinc/00/99/24/607009924.db2.gz KHGGRDJPPVZBJK-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000823070881 607016393 /nfs/dbraw/zinc/01/63/93/607016393.db2.gz SXVWJJCKAUQDGG-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000823070881 607016395 /nfs/dbraw/zinc/01/63/95/607016395.db2.gz SXVWJJCKAUQDGG-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573676 607019772 /nfs/dbraw/zinc/01/97/72/607019772.db2.gz ZTRMJKUIXPOXLH-AWEZNQCLSA-N -1 3 395.772 3.896 20 0 GHADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573676 607019774 /nfs/dbraw/zinc/01/97/74/607019774.db2.gz ZTRMJKUIXPOXLH-AWEZNQCLSA-N -1 3 395.772 3.896 20 0 GHADHM CCOCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCC1 ZINC000821373304 607031931 /nfs/dbraw/zinc/03/19/31/607031931.db2.gz FOGJWNYBZRJIAG-UHFFFAOYSA-N -1 3 388.422 3.702 20 0 GHADHM CCOCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCC1 ZINC000821373304 607031933 /nfs/dbraw/zinc/03/19/33/607031933.db2.gz FOGJWNYBZRJIAG-UHFFFAOYSA-N -1 3 388.422 3.702 20 0 GHADHM CC(C)c1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1Cc1ccco1 ZINC000820211074 607039320 /nfs/dbraw/zinc/03/93/20/607039320.db2.gz BYFRVLYCPIKRSA-UHFFFAOYSA-N -1 3 399.455 3.654 20 0 GHADHM CC(C)c1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1Cc1ccco1 ZINC000820211074 607039323 /nfs/dbraw/zinc/03/93/23/607039323.db2.gz BYFRVLYCPIKRSA-UHFFFAOYSA-N -1 3 399.455 3.654 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Br ZINC000820426821 607056964 /nfs/dbraw/zinc/05/69/64/607056964.db2.gz OBZLNNKFPZGZIC-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Br ZINC000820426821 607056965 /nfs/dbraw/zinc/05/69/65/607056965.db2.gz OBZLNNKFPZGZIC-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820819523 607085441 /nfs/dbraw/zinc/08/54/41/607085441.db2.gz JQVIODZMOASBJO-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820819523 607085444 /nfs/dbraw/zinc/08/54/44/607085444.db2.gz JQVIODZMOASBJO-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000821293258 607101580 /nfs/dbraw/zinc/10/15/80/607101580.db2.gz IZYHBHNICZJPKM-GJZGRUSLSA-N -1 3 382.855 3.694 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 ZINC000820770178 607116010 /nfs/dbraw/zinc/11/60/10/607116010.db2.gz ZGMGLLBXGQJFAO-BONVTDFDSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 ZINC000820770178 607116012 /nfs/dbraw/zinc/11/60/12/607116012.db2.gz ZGMGLLBXGQJFAO-BONVTDFDSA-N -1 3 395.410 3.913 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCOC4(CCCC4)C3)c2c1 ZINC000822753090 607130038 /nfs/dbraw/zinc/13/00/38/607130038.db2.gz CQSMWWZLDDIYMH-LBPRGKRZSA-N -1 3 386.406 3.597 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCOC4(CCCC4)C3)c2c1 ZINC000822753090 607130040 /nfs/dbraw/zinc/13/00/40/607130040.db2.gz CQSMWWZLDDIYMH-LBPRGKRZSA-N -1 3 386.406 3.597 20 0 GHADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000820534217 607136197 /nfs/dbraw/zinc/13/61/97/607136197.db2.gz KDKOFPWFBSOBSP-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000820534217 607136198 /nfs/dbraw/zinc/13/61/98/607136198.db2.gz KDKOFPWFBSOBSP-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cnc1Cl ZINC000822208527 607139487 /nfs/dbraw/zinc/13/94/87/607139487.db2.gz WPASBKCJBGCOMM-UHFFFAOYSA-N -1 3 385.859 3.666 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cnc1Cl ZINC000822208527 607139489 /nfs/dbraw/zinc/13/94/89/607139489.db2.gz WPASBKCJBGCOMM-UHFFFAOYSA-N -1 3 385.859 3.666 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000820937745 607150159 /nfs/dbraw/zinc/15/01/59/607150159.db2.gz COKQIWBGXKKNGT-AWEZNQCLSA-N -1 3 394.859 3.562 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000820937745 607150160 /nfs/dbraw/zinc/15/01/60/607150160.db2.gz COKQIWBGXKKNGT-AWEZNQCLSA-N -1 3 394.859 3.562 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)OC1CCCCC1 ZINC000821100256 607153958 /nfs/dbraw/zinc/15/39/58/607153958.db2.gz WUXZOFIKFBDRNE-IBGZPJMESA-N -1 3 385.512 3.733 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)OC1CCCCC1 ZINC000821100256 607153960 /nfs/dbraw/zinc/15/39/60/607153960.db2.gz WUXZOFIKFBDRNE-IBGZPJMESA-N -1 3 385.512 3.733 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823313482 607190309 /nfs/dbraw/zinc/19/03/09/607190309.db2.gz CGFAMHYFJTZDPS-VHSXEESVSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823313482 607190310 /nfs/dbraw/zinc/19/03/10/607190310.db2.gz CGFAMHYFJTZDPS-VHSXEESVSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1csc(Cc2ccccc2)n1 ZINC000823318620 607190353 /nfs/dbraw/zinc/19/03/53/607190353.db2.gz FXBKNSAFPQVMCF-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1csc(Cc2ccccc2)n1 ZINC000823318620 607190354 /nfs/dbraw/zinc/19/03/54/607190354.db2.gz FXBKNSAFPQVMCF-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823031956 607191160 /nfs/dbraw/zinc/19/11/60/607191160.db2.gz KWEJDSUIMQZBED-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823031956 607191161 /nfs/dbraw/zinc/19/11/61/607191161.db2.gz KWEJDSUIMQZBED-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(CSc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823070548 607191184 /nfs/dbraw/zinc/19/11/84/607191184.db2.gz DRTMGWMXRJMMMA-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823070548 607191185 /nfs/dbraw/zinc/19/11/85/607191185.db2.gz DRTMGWMXRJMMMA-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2cc(Cl)ccc21 ZINC000823319822 607198827 /nfs/dbraw/zinc/19/88/27/607198827.db2.gz ZAUAVUURIWVDJZ-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2cc(Cl)ccc21 ZINC000823319822 607198828 /nfs/dbraw/zinc/19/88/28/607198828.db2.gz ZAUAVUURIWVDJZ-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000820743017 607200038 /nfs/dbraw/zinc/20/00/38/607200038.db2.gz PGBRZGCCWFDLFL-SJKOYZFVSA-N -1 3 398.854 3.514 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000820743017 607200039 /nfs/dbraw/zinc/20/00/39/607200039.db2.gz PGBRZGCCWFDLFL-SJKOYZFVSA-N -1 3 398.854 3.514 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCO[C@@H](c2ccccc2)C1 ZINC000823313858 607201249 /nfs/dbraw/zinc/20/12/49/607201249.db2.gz KFZPNWPAFHXBLT-QGZVFWFLSA-N -1 3 398.854 3.516 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCO[C@@H](c2ccccc2)C1 ZINC000823313858 607201250 /nfs/dbraw/zinc/20/12/50/607201250.db2.gz KFZPNWPAFHXBLT-QGZVFWFLSA-N -1 3 398.854 3.516 20 0 GHADHM CN(CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000821599542 607201882 /nfs/dbraw/zinc/20/18/82/607201882.db2.gz ZKEISQKTKHZIST-UHFFFAOYSA-N -1 3 399.886 3.558 20 0 GHADHM CN(CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000821599542 607201883 /nfs/dbraw/zinc/20/18/83/607201883.db2.gz ZKEISQKTKHZIST-UHFFFAOYSA-N -1 3 399.886 3.558 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2nccs2)CCCC1 ZINC000823319379 607202094 /nfs/dbraw/zinc/20/20/94/607202094.db2.gz SYVXHIHPDUZONW-UHFFFAOYSA-N -1 3 389.872 3.568 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2nccs2)CCCC1 ZINC000823319379 607202095 /nfs/dbraw/zinc/20/20/95/607202095.db2.gz SYVXHIHPDUZONW-UHFFFAOYSA-N -1 3 389.872 3.568 20 0 GHADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823197350 607202187 /nfs/dbraw/zinc/20/21/87/607202187.db2.gz RNRQLTQBVZJKOO-UHFFFAOYSA-N -1 3 395.854 3.756 20 0 GHADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823197350 607202188 /nfs/dbraw/zinc/20/21/88/607202188.db2.gz RNRQLTQBVZJKOO-UHFFFAOYSA-N -1 3 395.854 3.756 20 0 GHADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C[C@@H](c2ccccc2)O1 ZINC000820769142 607227893 /nfs/dbraw/zinc/22/78/93/607227893.db2.gz RQQCMOKGTYQBOB-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C[C@@H](c2ccccc2)O1 ZINC000820769142 607227894 /nfs/dbraw/zinc/22/78/94/607227894.db2.gz RQQCMOKGTYQBOB-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000821766390 607231645 /nfs/dbraw/zinc/23/16/45/607231645.db2.gz VMLVZCPLQBQWIG-JTQLQIEISA-N -1 3 398.423 3.918 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000821766390 607231646 /nfs/dbraw/zinc/23/16/46/607231646.db2.gz VMLVZCPLQBQWIG-JTQLQIEISA-N -1 3 398.423 3.918 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Sc2ccccc2)n1 ZINC000426434260 607234579 /nfs/dbraw/zinc/23/45/79/607234579.db2.gz WSNYGZPOJLFRLX-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Sc2ccccc2)n1 ZINC000426434260 607234580 /nfs/dbraw/zinc/23/45/80/607234580.db2.gz WSNYGZPOJLFRLX-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1sccc1-c1nnn[n-]1 ZINC000822958759 607235994 /nfs/dbraw/zinc/23/59/94/607235994.db2.gz GJQZANADLWVLKF-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1sccc1-c1nn[n-]n1 ZINC000822958759 607235995 /nfs/dbraw/zinc/23/59/95/607235995.db2.gz GJQZANADLWVLKF-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(-c3ccccc3)nc2C)s1 ZINC000821465999 607237547 /nfs/dbraw/zinc/23/75/47/607237547.db2.gz UCSNFUVYBHSJFD-UHFFFAOYSA-N -1 3 391.460 3.508 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(-c3ccccc3)nc2C)s1 ZINC000821465999 607237548 /nfs/dbraw/zinc/23/75/48/607237548.db2.gz UCSNFUVYBHSJFD-UHFFFAOYSA-N -1 3 391.460 3.508 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000823450301 607244982 /nfs/dbraw/zinc/24/49/82/607244982.db2.gz NKRKGNFCJMCGGH-GOSISDBHSA-N -1 3 382.395 3.612 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000823450301 607244983 /nfs/dbraw/zinc/24/49/83/607244983.db2.gz NKRKGNFCJMCGGH-GOSISDBHSA-N -1 3 382.395 3.612 20 0 GHADHM CN(C(=O)COc1ccccc1-c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000825820562 607787380 /nfs/dbraw/zinc/78/73/80/607787380.db2.gz KLOFRJMNHBNUIV-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)COc1ccccc1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000825820562 607787381 /nfs/dbraw/zinc/78/73/81/607787381.db2.gz KLOFRJMNHBNUIV-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825811841 607790551 /nfs/dbraw/zinc/79/05/51/607790551.db2.gz CKTLWTXQXQGSFG-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825811841 607790552 /nfs/dbraw/zinc/79/05/52/607790552.db2.gz CKTLWTXQXQGSFG-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386120 607796781 /nfs/dbraw/zinc/79/67/81/607796781.db2.gz YDENIDDLIOAOLD-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386120 607796782 /nfs/dbraw/zinc/79/67/82/607796782.db2.gz YDENIDDLIOAOLD-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380007 607796999 /nfs/dbraw/zinc/79/69/99/607796999.db2.gz NICLJCUTEJHXOV-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380007 607797000 /nfs/dbraw/zinc/79/70/00/607797000.db2.gz NICLJCUTEJHXOV-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362676 607798009 /nfs/dbraw/zinc/79/80/09/607798009.db2.gz QKHSFUBHEAOYID-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362676 607798010 /nfs/dbraw/zinc/79/80/10/607798010.db2.gz QKHSFUBHEAOYID-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390502 607798525 /nfs/dbraw/zinc/79/85/25/607798525.db2.gz HKSGGKYSVIQIEK-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390502 607798526 /nfs/dbraw/zinc/79/85/26/607798526.db2.gz HKSGGKYSVIQIEK-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM CCN(C(=O)c1sc(C)cc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390438 607800405 /nfs/dbraw/zinc/80/04/05/607800405.db2.gz FAGBFZUZVKLCKT-UHFFFAOYSA-N -1 3 379.392 3.505 20 0 GHADHM CCN(C(=O)c1sc(C)cc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390438 607800406 /nfs/dbraw/zinc/80/04/06/607800406.db2.gz FAGBFZUZVKLCKT-UHFFFAOYSA-N -1 3 379.392 3.505 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826306475 607833329 /nfs/dbraw/zinc/83/33/29/607833329.db2.gz ZZWKINHMLXHMFW-JTQLQIEISA-N -1 3 376.247 3.973 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826306475 607833330 /nfs/dbraw/zinc/83/33/30/607833330.db2.gz ZZWKINHMLXHMFW-JTQLQIEISA-N -1 3 376.247 3.973 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC1(C)CCC1 ZINC000826271742 607856721 /nfs/dbraw/zinc/85/67/21/607856721.db2.gz FOCLQVSLYSFWKR-UHFFFAOYSA-N -1 3 392.463 3.818 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC1(C)CCC1 ZINC000826271742 607856722 /nfs/dbraw/zinc/85/67/22/607856722.db2.gz FOCLQVSLYSFWKR-UHFFFAOYSA-N -1 3 392.463 3.818 20 0 GHADHM O[C@H](COc1ccc2oc3c(c2c1)CCCC3)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505237 607872468 /nfs/dbraw/zinc/87/24/68/607872468.db2.gz QFGFPCDCWMPRRV-GOSISDBHSA-N -1 3 376.416 3.604 20 0 GHADHM O[C@H](COc1ccc2oc3c(c2c1)CCCC3)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505237 607872469 /nfs/dbraw/zinc/87/24/69/607872469.db2.gz QFGFPCDCWMPRRV-GOSISDBHSA-N -1 3 376.416 3.604 20 0 GHADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000826504218 607872825 /nfs/dbraw/zinc/87/28/25/607872825.db2.gz PXZJWRNZEJUQTB-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000826504218 607872826 /nfs/dbraw/zinc/87/28/26/607872826.db2.gz PXZJWRNZEJUQTB-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000826503967 607872853 /nfs/dbraw/zinc/87/28/53/607872853.db2.gz KNDCHGINZIDVIY-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000826503967 607872854 /nfs/dbraw/zinc/87/28/54/607872854.db2.gz KNDCHGINZIDVIY-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1ccc(Sc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505157 607876046 /nfs/dbraw/zinc/87/60/46/607876046.db2.gz OBKTYYPOCJJYPT-LJQANCHMSA-N -1 3 391.456 3.525 20 0 GHADHM O[C@H](COc1ccc(Sc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505157 607876047 /nfs/dbraw/zinc/87/60/47/607876047.db2.gz OBKTYYPOCJJYPT-LJQANCHMSA-N -1 3 391.456 3.525 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)Cc1ccccc1C(F)(F)F ZINC000826504075 607878483 /nfs/dbraw/zinc/87/84/83/607878483.db2.gz MQAXSWHYISAOCX-LBPRGKRZSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)Cc1ccccc1C(F)(F)F ZINC000826504075 607878484 /nfs/dbraw/zinc/87/84/84/607878484.db2.gz MQAXSWHYISAOCX-LBPRGKRZSA-N -1 3 398.772 3.521 20 0 GHADHM CCN(C(=O)CCO[C@@H](C)CC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371442 607878869 /nfs/dbraw/zinc/87/88/69/607878869.db2.gz GNNCRIQURQIZRY-ZDUSSCGKSA-N -1 3 379.892 3.714 20 0 GHADHM CCN(C(=O)CCO[C@@H](C)CC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371442 607878870 /nfs/dbraw/zinc/87/88/70/607878870.db2.gz GNNCRIQURQIZRY-ZDUSSCGKSA-N -1 3 379.892 3.714 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nnn[n-]2)nc2cc(Cl)ccc12 ZINC000826500961 607884511 /nfs/dbraw/zinc/88/45/11/607884511.db2.gz SYJNRQWZEBSUGV-NTUHNPAUSA-N -1 3 385.214 3.906 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nn[n-]n2)nc2cc(Cl)ccc12 ZINC000826500961 607884512 /nfs/dbraw/zinc/88/45/12/607884512.db2.gz SYJNRQWZEBSUGV-NTUHNPAUSA-N -1 3 385.214 3.906 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000825620520 607885921 /nfs/dbraw/zinc/88/59/21/607885921.db2.gz CQGNOEZDJASHLJ-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000825620520 607885922 /nfs/dbraw/zinc/88/59/22/607885922.db2.gz CQGNOEZDJASHLJ-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM CCCCc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000825296262 607892154 /nfs/dbraw/zinc/89/21/54/607892154.db2.gz AXYCDFMSWOSFTJ-UHFFFAOYSA-N -1 3 376.420 3.838 20 0 GHADHM CCCCc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000825296262 607892155 /nfs/dbraw/zinc/89/21/55/607892155.db2.gz AXYCDFMSWOSFTJ-UHFFFAOYSA-N -1 3 376.420 3.838 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000824053269 607918588 /nfs/dbraw/zinc/91/85/88/607918588.db2.gz XBIWNJFQYOUVBZ-HNNXBMFYSA-N -1 3 392.459 3.640 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824053269 607918589 /nfs/dbraw/zinc/91/85/89/607918589.db2.gz XBIWNJFQYOUVBZ-HNNXBMFYSA-N -1 3 392.459 3.640 20 0 GHADHM CC(C)Cn1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c2ccccc21 ZINC000824281118 607946902 /nfs/dbraw/zinc/94/69/02/607946902.db2.gz ZOKKNHIBHNWVKK-UHFFFAOYSA-N -1 3 386.459 3.680 20 0 GHADHM CC(C)Cn1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c2ccccc21 ZINC000824281118 607946903 /nfs/dbraw/zinc/94/69/03/607946903.db2.gz ZOKKNHIBHNWVKK-UHFFFAOYSA-N -1 3 386.459 3.680 20 0 GHADHM O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397481 607950348 /nfs/dbraw/zinc/95/03/48/607950348.db2.gz FLGSTZZXTXPGSX-UHFFFAOYSA-N -1 3 381.439 3.588 20 0 GHADHM O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397481 607950349 /nfs/dbraw/zinc/95/03/49/607950349.db2.gz FLGSTZZXTXPGSX-UHFFFAOYSA-N -1 3 381.439 3.588 20 0 GHADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1c(Cl)cccc1Cl ZINC000824038882 607952794 /nfs/dbraw/zinc/95/27/94/607952794.db2.gz AADGULGFWRYTPR-JTQLQIEISA-N -1 3 388.258 3.866 20 0 GHADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1c(Cl)cccc1Cl ZINC000824038882 607952795 /nfs/dbraw/zinc/95/27/95/607952795.db2.gz AADGULGFWRYTPR-JTQLQIEISA-N -1 3 388.258 3.866 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)ccc2c1 ZINC000826213225 607953913 /nfs/dbraw/zinc/95/39/13/607953913.db2.gz OYDTUFJZBQAVJF-AWEZNQCLSA-N -1 3 399.454 3.721 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)ccc2c1 ZINC000826213225 607953914 /nfs/dbraw/zinc/95/39/14/607953914.db2.gz OYDTUFJZBQAVJF-AWEZNQCLSA-N -1 3 399.454 3.721 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337200 607965670 /nfs/dbraw/zinc/96/56/70/607965670.db2.gz GGZMGWCXFCENQN-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337200 607965671 /nfs/dbraw/zinc/96/56/71/607965671.db2.gz GGZMGWCXFCENQN-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000826278248 607980844 /nfs/dbraw/zinc/98/08/44/607980844.db2.gz VPMJDZLACDFUAS-UHFFFAOYSA-N -1 3 380.839 3.812 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000826278248 607980845 /nfs/dbraw/zinc/98/08/45/607980845.db2.gz VPMJDZLACDFUAS-UHFFFAOYSA-N -1 3 380.839 3.812 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(-n2ccnc2)c1 ZINC000824662962 607990781 /nfs/dbraw/zinc/99/07/81/607990781.db2.gz TYXJHYJFEGHBLQ-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM OCCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826508833 607991608 /nfs/dbraw/zinc/99/16/08/607991608.db2.gz CSSJGZHRKUKTST-OAHLLOKOSA-N -1 3 388.269 3.555 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000824285054 607992426 /nfs/dbraw/zinc/99/24/26/607992426.db2.gz VCUVAZJADOTGGX-NSHDSACASA-N -1 3 390.394 3.575 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000824285054 607992427 /nfs/dbraw/zinc/99/24/27/607992427.db2.gz VCUVAZJADOTGGX-NSHDSACASA-N -1 3 390.394 3.575 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400118 608006030 /nfs/dbraw/zinc/00/60/30/608006030.db2.gz PYQOACCTHGZVRX-QHHAFSJGSA-N -1 3 394.744 3.586 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400118 608006031 /nfs/dbraw/zinc/00/60/31/608006031.db2.gz PYQOACCTHGZVRX-QHHAFSJGSA-N -1 3 394.744 3.586 20 0 GHADHM Cc1cc([C@@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262264 608009370 /nfs/dbraw/zinc/00/93/70/608009370.db2.gz JQGQUNWNBPPAGG-FQEVSTJZSA-N -1 3 379.439 3.514 20 0 GHADHM Cc1cc([C@@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262264 608009371 /nfs/dbraw/zinc/00/93/71/608009371.db2.gz JQGQUNWNBPPAGG-FQEVSTJZSA-N -1 3 379.439 3.514 20 0 GHADHM Cn1c2ccc(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2nc1C(C)(C)C ZINC000826355242 608023028 /nfs/dbraw/zinc/02/30/28/608023028.db2.gz QCKZDZXUSTVKAD-UHFFFAOYSA-N -1 3 390.451 3.695 20 0 GHADHM Cn1c2ccc(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2nc1C(C)(C)C ZINC000826355242 608023029 /nfs/dbraw/zinc/02/30/29/608023029.db2.gz QCKZDZXUSTVKAD-UHFFFAOYSA-N -1 3 390.451 3.695 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)CCCN1Cc1ccccc1 ZINC000826477877 608023974 /nfs/dbraw/zinc/02/39/74/608023974.db2.gz OAFCBOOSCKNVHI-QGZVFWFLSA-N -1 3 399.907 3.803 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)CCCN1Cc1ccccc1 ZINC000826477877 608023975 /nfs/dbraw/zinc/02/39/75/608023975.db2.gz OAFCBOOSCKNVHI-QGZVFWFLSA-N -1 3 399.907 3.803 20 0 GHADHM O=C(OCc1ncc(C2CC2)o1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826467544 608028567 /nfs/dbraw/zinc/02/85/67/608028567.db2.gz AXSCWGQYVLDOKE-UHFFFAOYSA-N -1 3 387.399 3.756 20 0 GHADHM O=C(OCc1ncc(C2CC2)o1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826467544 608028568 /nfs/dbraw/zinc/02/85/68/608028568.db2.gz AXSCWGQYVLDOKE-UHFFFAOYSA-N -1 3 387.399 3.756 20 0 GHADHM CCN(Cc1nnc(-c2cc(C)oc2C)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444650 608032077 /nfs/dbraw/zinc/03/20/77/608032077.db2.gz PZVWVMDXPRYEPS-CYBMUJFWSA-N -1 3 393.451 3.710 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826442046 608033491 /nfs/dbraw/zinc/03/34/91/608033491.db2.gz HEYPLOQDJGTRSQ-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826442046 608033492 /nfs/dbraw/zinc/03/34/92/608033492.db2.gz HEYPLOQDJGTRSQ-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NC1CCN(c2ccccc2)CC1 ZINC000823826680 608047675 /nfs/dbraw/zinc/04/76/75/608047675.db2.gz MQZVWIUFQLDOLB-UHFFFAOYSA-N -1 3 399.296 3.710 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000824521932 608048767 /nfs/dbraw/zinc/04/87/67/608048767.db2.gz OUIWJKWIJGGZCL-NSHDSACASA-N -1 3 383.839 3.841 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000824521932 608048768 /nfs/dbraw/zinc/04/87/68/608048768.db2.gz OUIWJKWIJGGZCL-NSHDSACASA-N -1 3 383.839 3.841 20 0 GHADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385472 608058211 /nfs/dbraw/zinc/05/82/11/608058211.db2.gz HBRHWAZJGNUDRF-YWZLYKJASA-N -1 3 391.475 3.594 20 0 GHADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385472 608058212 /nfs/dbraw/zinc/05/82/12/608058212.db2.gz HBRHWAZJGNUDRF-YWZLYKJASA-N -1 3 391.475 3.594 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271195 608084484 /nfs/dbraw/zinc/08/44/84/608084484.db2.gz IEIVYFOZUGHMEW-APWZRJJASA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271195 608084485 /nfs/dbraw/zinc/08/44/85/608084485.db2.gz IEIVYFOZUGHMEW-APWZRJJASA-N -1 3 385.512 3.763 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC(C)(C)C1 ZINC000824974594 608139524 /nfs/dbraw/zinc/13/95/24/608139524.db2.gz BSZFCMHMSFPJLS-AWEZNQCLSA-N -1 3 392.463 3.562 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC(C)(C)C1 ZINC000824974594 608139525 /nfs/dbraw/zinc/13/95/25/608139525.db2.gz BSZFCMHMSFPJLS-AWEZNQCLSA-N -1 3 392.463 3.562 20 0 GHADHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000826232378 608167155 /nfs/dbraw/zinc/16/71/55/608167155.db2.gz GWPSJZAMGKTDNR-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(SC)ccc1C ZINC000825793072 608174582 /nfs/dbraw/zinc/17/45/82/608174582.db2.gz MDEMGZAWVUKZRN-UHFFFAOYSA-N -1 3 393.476 3.519 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(SC)ccc1C ZINC000825793072 608174584 /nfs/dbraw/zinc/17/45/84/608174584.db2.gz MDEMGZAWVUKZRN-UHFFFAOYSA-N -1 3 393.476 3.519 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC=Cc1ccc(C)cc1 ZINC000825789149 608175589 /nfs/dbraw/zinc/17/55/89/608175589.db2.gz XNQHZMHXTWJWJH-SNAWJCMRSA-N -1 3 387.447 3.587 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC=Cc1ccc(C)cc1 ZINC000825789149 608175590 /nfs/dbraw/zinc/17/55/90/608175590.db2.gz XNQHZMHXTWJWJH-SNAWJCMRSA-N -1 3 387.447 3.587 20 0 GHADHM Brc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000823826557 608221520 /nfs/dbraw/zinc/22/15/20/608221520.db2.gz LFZJYHBYIGPMQP-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000823826557 608221521 /nfs/dbraw/zinc/22/15/21/608221521.db2.gz LFZJYHBYIGPMQP-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000825224875 608223113 /nfs/dbraw/zinc/22/31/13/608223113.db2.gz FFYIKNMXVIABLN-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000825224875 608223115 /nfs/dbraw/zinc/22/31/15/608223115.db2.gz FFYIKNMXVIABLN-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)sc1C ZINC000826324941 608225563 /nfs/dbraw/zinc/22/55/63/608225563.db2.gz JFHUUSWDAIWBEG-MRXNPFEDSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)sc1C ZINC000826324941 608225565 /nfs/dbraw/zinc/22/55/65/608225565.db2.gz JFHUUSWDAIWBEG-MRXNPFEDSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1cccc([C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c2ccccn2)c1 ZINC000826297044 608230609 /nfs/dbraw/zinc/23/06/09/608230609.db2.gz SXFROJOCMDLKLQ-FQEVSTJZSA-N -1 3 383.459 3.655 20 0 GHADHM Cc1cccc([C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c2ccccn2)c1 ZINC000826297044 608230611 /nfs/dbraw/zinc/23/06/11/608230611.db2.gz SXFROJOCMDLKLQ-FQEVSTJZSA-N -1 3 383.459 3.655 20 0 GHADHM O[C@@H](C[C@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826503122 608230754 /nfs/dbraw/zinc/23/07/54/608230754.db2.gz RBMCURKVRVOLJQ-QUCCMNQESA-N -1 3 386.459 3.507 20 0 GHADHM O[C@@H](C[C@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826503122 608230756 /nfs/dbraw/zinc/23/07/56/608230756.db2.gz RBMCURKVRVOLJQ-QUCCMNQESA-N -1 3 386.459 3.507 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826189645 608239378 /nfs/dbraw/zinc/23/93/78/608239378.db2.gz AMTVFLGGZXYTHZ-RBZFPXEDSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826189645 608239379 /nfs/dbraw/zinc/23/93/79/608239379.db2.gz AMTVFLGGZXYTHZ-RBZFPXEDSA-N -1 3 390.447 3.612 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826278279 608274849 /nfs/dbraw/zinc/27/48/49/608274849.db2.gz WNWVUFFIZFELKU-OAHLLOKOSA-N -1 3 392.246 3.544 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826278279 608274851 /nfs/dbraw/zinc/27/48/51/608274851.db2.gz WNWVUFFIZFELKU-OAHLLOKOSA-N -1 3 392.246 3.544 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368582 608296682 /nfs/dbraw/zinc/29/66/82/608296682.db2.gz VHTGOVJDAIYUCQ-OLZOCXBDSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368582 608296685 /nfs/dbraw/zinc/29/66/85/608296685.db2.gz VHTGOVJDAIYUCQ-OLZOCXBDSA-N -1 3 381.402 3.529 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826173096 608325387 /nfs/dbraw/zinc/32/53/87/608325387.db2.gz MUSXPBBOVIWPDM-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826173096 608325389 /nfs/dbraw/zinc/32/53/89/608325389.db2.gz MUSXPBBOVIWPDM-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccncc1CC ZINC000825317828 608331271 /nfs/dbraw/zinc/33/12/71/608331271.db2.gz DDPNZHMZGSGKJD-HNNXBMFYSA-N -1 3 393.495 3.507 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccncc1CC ZINC000825317828 608331273 /nfs/dbraw/zinc/33/12/73/608331273.db2.gz DDPNZHMZGSGKJD-HNNXBMFYSA-N -1 3 393.495 3.507 20 0 GHADHM CCN(C(=O)CCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371767 608344778 /nfs/dbraw/zinc/34/47/78/608344778.db2.gz KVJPCIGIXISVGX-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CCN(C(=O)CCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371767 608344779 /nfs/dbraw/zinc/34/47/79/608344779.db2.gz KVJPCIGIXISVGX-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(Br)c(F)c1 ZINC000826373337 608388937 /nfs/dbraw/zinc/38/89/37/608388937.db2.gz IQZYFNIGHNHXLA-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(Br)c(F)c1 ZINC000826373337 608388939 /nfs/dbraw/zinc/38/89/39/608388939.db2.gz IQZYFNIGHNHXLA-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1c(CSCc2nc(CCc3ccccc3)no2)cccc1-c1nnn[n-]1 ZINC000826370851 608404946 /nfs/dbraw/zinc/40/49/46/608404946.db2.gz JRMUSVRFISKCSR-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM Fc1c(CSCc2nc(CCc3ccccc3)no2)cccc1-c1nn[n-]n1 ZINC000826370851 608404948 /nfs/dbraw/zinc/40/49/48/608404948.db2.gz JRMUSVRFISKCSR-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3F)n2)cc1 ZINC000826373555 608404968 /nfs/dbraw/zinc/40/49/68/608404968.db2.gz QLTSDVGSGLJFPS-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3F)n2)cc1 ZINC000826373555 608404969 /nfs/dbraw/zinc/40/49/69/608404969.db2.gz QLTSDVGSGLJFPS-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM CCc1ncnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1F ZINC000825755320 608421782 /nfs/dbraw/zinc/42/17/82/608421782.db2.gz SWUKKYIKNYUHDI-UHFFFAOYSA-N -1 3 381.440 3.699 20 0 GHADHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000826232124 608433907 /nfs/dbraw/zinc/43/39/07/608433907.db2.gz PTIWPSFATQJPCT-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000826232124 608433909 /nfs/dbraw/zinc/43/39/09/608433909.db2.gz PTIWPSFATQJPCT-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@@H](NCc1csc(Nc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626465 608461004 /nfs/dbraw/zinc/46/10/04/608461004.db2.gz OPQVILCDLZEYSK-CYBMUJFWSA-N -1 3 377.477 3.918 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826456811 608470066 /nfs/dbraw/zinc/47/00/66/608470066.db2.gz YIUSBWGBLJZIGU-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826456811 608470068 /nfs/dbraw/zinc/47/00/68/608470068.db2.gz YIUSBWGBLJZIGU-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316369 608478737 /nfs/dbraw/zinc/47/87/37/608478737.db2.gz LZRRPVZTFAHWJV-MSOLQXFVSA-N -1 3 391.500 3.656 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826316369 608478738 /nfs/dbraw/zinc/47/87/38/608478738.db2.gz LZRRPVZTFAHWJV-MSOLQXFVSA-N -1 3 391.500 3.656 20 0 GHADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1c(F)cccc1F ZINC000824039301 608486266 /nfs/dbraw/zinc/48/62/66/608486266.db2.gz DCCIATVYLWXLGM-ZDUSSCGKSA-N -1 3 395.413 3.564 20 0 GHADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1c(F)cccc1F ZINC000824039301 608486267 /nfs/dbraw/zinc/48/62/67/608486267.db2.gz DCCIATVYLWXLGM-ZDUSSCGKSA-N -1 3 395.413 3.564 20 0 GHADHM C[C@H](Cc1ccccc1F)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824458248 608487967 /nfs/dbraw/zinc/48/79/67/608487967.db2.gz UQARXTYPXFGFKR-OAHLLOKOSA-N -1 3 391.450 3.500 20 0 GHADHM C[C@H](Cc1ccccc1F)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824458248 608487968 /nfs/dbraw/zinc/48/79/68/608487968.db2.gz UQARXTYPXFGFKR-OAHLLOKOSA-N -1 3 391.450 3.500 20 0 GHADHM CC[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825154920 608500045 /nfs/dbraw/zinc/50/00/45/608500045.db2.gz VMRWDXZLGCUKPH-QGZVFWFLSA-N -1 3 384.461 3.662 20 0 GHADHM CC[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825154920 608500046 /nfs/dbraw/zinc/50/00/46/608500046.db2.gz VMRWDXZLGCUKPH-QGZVFWFLSA-N -1 3 384.461 3.662 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(Cl)cccc1OC(F)F ZINC000825977130 608522013 /nfs/dbraw/zinc/52/20/13/608522013.db2.gz YAHQPKAAKYBECL-UHFFFAOYSA-N -1 3 379.798 3.754 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(Cl)cccc1OC(F)F ZINC000825977130 608522015 /nfs/dbraw/zinc/52/20/15/608522015.db2.gz YAHQPKAAKYBECL-UHFFFAOYSA-N -1 3 379.798 3.754 20 0 GHADHM Fc1ccccc1COC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826378752 608558787 /nfs/dbraw/zinc/55/87/87/608558787.db2.gz YUYAOCOYGKMGSS-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccccc1COC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826378752 608558789 /nfs/dbraw/zinc/55/87/89/608558789.db2.gz YUYAOCOYGKMGSS-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000824505691 608568252 /nfs/dbraw/zinc/56/82/52/608568252.db2.gz HHTGSOZXKHAHDZ-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000824505691 608568253 /nfs/dbraw/zinc/56/82/53/608568253.db2.gz HHTGSOZXKHAHDZ-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c2cc(Cl)ccc2O1 ZINC000824975370 608576636 /nfs/dbraw/zinc/57/66/36/608576636.db2.gz JYFRMEIDBKSDMH-SECBINFHSA-N -1 3 390.230 3.601 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c2cc(Cl)ccc2O1 ZINC000824975370 608576638 /nfs/dbraw/zinc/57/66/38/608576638.db2.gz JYFRMEIDBKSDMH-SECBINFHSA-N -1 3 390.230 3.601 20 0 GHADHM COc1ccc(CN[C@@H](CCc2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826202186 608581268 /nfs/dbraw/zinc/58/12/68/608581268.db2.gz QVQJEGXJIGPUFK-KRWDZBQOSA-N -1 3 391.397 3.529 20 0 GHADHM COc1ccc(CN[C@@H](CCc2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826202186 608581270 /nfs/dbraw/zinc/58/12/70/608581270.db2.gz QVQJEGXJIGPUFK-KRWDZBQOSA-N -1 3 391.397 3.529 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000824293620 608583593 /nfs/dbraw/zinc/58/35/93/608583593.db2.gz UJWUUYYNDBICIY-SFHVURJKSA-N -1 3 395.894 3.987 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000824293620 608583594 /nfs/dbraw/zinc/58/35/94/608583594.db2.gz UJWUUYYNDBICIY-SFHVURJKSA-N -1 3 395.894 3.987 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000824293808 608583602 /nfs/dbraw/zinc/58/36/02/608583602.db2.gz XZPSQQLNJVLYMP-UHFFFAOYSA-N -1 3 388.475 3.718 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000824293808 608583603 /nfs/dbraw/zinc/58/36/03/608583603.db2.gz XZPSQQLNJVLYMP-UHFFFAOYSA-N -1 3 388.475 3.718 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)[C@H]1C ZINC000824937266 608597076 /nfs/dbraw/zinc/59/70/76/608597076.db2.gz PDBUXDBYDZGYBZ-KBPBESRZSA-N -1 3 393.451 3.706 20 0 GHADHM Cc1cc(=O)oc2cc(OCc3cccc(-c4nnn[n-]4)c3F)c(Cl)cc12 ZINC000826256293 608669317 /nfs/dbraw/zinc/66/93/17/608669317.db2.gz BSKRXAXQVDHCAH-UHFFFAOYSA-N -1 3 386.770 3.653 20 0 GHADHM Cc1cc(=O)oc2cc(OCc3cccc(-c4nn[n-]n4)c3F)c(Cl)cc12 ZINC000826256293 608669322 /nfs/dbraw/zinc/66/93/22/608669322.db2.gz BSKRXAXQVDHCAH-UHFFFAOYSA-N -1 3 386.770 3.653 20 0 GHADHM CCc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000825717144 608753477 /nfs/dbraw/zinc/75/34/77/608753477.db2.gz HDIDXANFSXFZAQ-GFCCVEGCSA-N -1 3 396.520 3.727 20 0 GHADHM CCc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000825717144 608753481 /nfs/dbraw/zinc/75/34/81/608753481.db2.gz HDIDXANFSXFZAQ-GFCCVEGCSA-N -1 3 396.520 3.727 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000824513692 608763374 /nfs/dbraw/zinc/76/33/74/608763374.db2.gz FXFNOOHHNJRHCK-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000824513692 608763375 /nfs/dbraw/zinc/76/33/75/608763375.db2.gz FXFNOOHHNJRHCK-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM COc1ccccc1COC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826220432 608799088 /nfs/dbraw/zinc/79/90/88/608799088.db2.gz NOKIGMVAOUPZPR-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM COc1ccccc1COC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826220432 608799090 /nfs/dbraw/zinc/79/90/90/608799090.db2.gz NOKIGMVAOUPZPR-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM Cc1sc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c(-c2nnn[n-]2)c1C ZINC000826350085 608829168 /nfs/dbraw/zinc/82/91/68/608829168.db2.gz HRCJPRZHUWCNTN-UHFFFAOYSA-N -1 3 399.476 3.753 20 0 GHADHM Cc1sc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c(-c2nn[n-]n2)c1C ZINC000826350085 608829171 /nfs/dbraw/zinc/82/91/71/608829171.db2.gz HRCJPRZHUWCNTN-UHFFFAOYSA-N -1 3 399.476 3.753 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccccc1Cc1ccccc1 ZINC000826522126 608862821 /nfs/dbraw/zinc/86/28/21/608862821.db2.gz MUWHVHLRMVBECW-UHFFFAOYSA-N -1 3 381.443 3.717 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccccc1Cc1ccccc1 ZINC000826522126 608862823 /nfs/dbraw/zinc/86/28/23/608862823.db2.gz MUWHVHLRMVBECW-UHFFFAOYSA-N -1 3 381.443 3.717 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824908584 609149035 /nfs/dbraw/zinc/14/90/35/609149035.db2.gz PYUDIVKAANOIBN-JOYOIKCWSA-N -1 3 391.344 3.631 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824909421 609151123 /nfs/dbraw/zinc/15/11/23/609151123.db2.gz TWHOZZZLGFSEHE-IUCAKERBSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824909421 609151125 /nfs/dbraw/zinc/15/11/25/609151125.db2.gz TWHOZZZLGFSEHE-IUCAKERBSA-N -1 3 388.781 3.715 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826373281 609152022 /nfs/dbraw/zinc/15/20/22/609152022.db2.gz GYMKIWUACILONO-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826373281 609152024 /nfs/dbraw/zinc/15/20/24/609152024.db2.gz GYMKIWUACILONO-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826454017 609161067 /nfs/dbraw/zinc/16/10/67/609161067.db2.gz HCOBPQOHYFITDU-SIJIIQCFSA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826454017 609161069 /nfs/dbraw/zinc/16/10/69/609161069.db2.gz HCOBPQOHYFITDU-SIJIIQCFSA-N -1 3 378.411 3.716 20 0 GHADHM Fc1ccc2ccc(NCc3nc(-c4cccc(-c5nnn[n-]5)c4)c[nH]3)nc2c1 ZINC000826376172 609167184 /nfs/dbraw/zinc/16/71/84/609167184.db2.gz RGTJIYUOCVTBPK-UHFFFAOYSA-N -1 3 386.394 3.556 20 0 GHADHM Fc1ccc2ccc(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)nc2c1 ZINC000826376172 609167185 /nfs/dbraw/zinc/16/71/85/609167185.db2.gz RGTJIYUOCVTBPK-UHFFFAOYSA-N -1 3 386.394 3.556 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826350534 609172448 /nfs/dbraw/zinc/17/24/48/609172448.db2.gz AGIWABVBUYKWBT-OAHLLOKOSA-N -1 3 384.875 3.716 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826350534 609172450 /nfs/dbraw/zinc/17/24/50/609172450.db2.gz AGIWABVBUYKWBT-OAHLLOKOSA-N -1 3 384.875 3.716 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1c(F)c(F)c(F)c(F)c1F ZINC000825480701 609179166 /nfs/dbraw/zinc/17/91/66/609179166.db2.gz HCXXTGCMZGMRLZ-UHFFFAOYSA-N -1 3 384.312 3.606 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)cc(Br)c1 ZINC000825480683 609179231 /nfs/dbraw/zinc/17/92/31/609179231.db2.gz GIWXMGXDYGZEMY-UHFFFAOYSA-N -1 3 391.248 3.812 20 0 GHADHM CC(=O)Nc1c(C)ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1C ZINC000823993856 609179990 /nfs/dbraw/zinc/17/99/90/609179990.db2.gz AWBDQOCQIPRINT-LJQANCHMSA-N -1 3 376.464 3.931 20 0 GHADHM CC(=O)Nc1c(C)ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1C ZINC000823993856 609179992 /nfs/dbraw/zinc/17/99/92/609179992.db2.gz AWBDQOCQIPRINT-LJQANCHMSA-N -1 3 376.464 3.931 20 0 GHADHM CCOc1c(OC)cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1OC ZINC000825604278 609199701 /nfs/dbraw/zinc/19/97/01/609199701.db2.gz GZVCAZUWKDHWDC-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1c(OC)cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1OC ZINC000825604278 609199703 /nfs/dbraw/zinc/19/97/03/609199703.db2.gz GZVCAZUWKDHWDC-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000825242356 609203701 /nfs/dbraw/zinc/20/37/01/609203701.db2.gz PBSDFUQYCZQWFE-CYBMUJFWSA-N -1 3 379.251 3.773 20 0 GHADHM CCC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000825242356 609203702 /nfs/dbraw/zinc/20/37/02/609203702.db2.gz PBSDFUQYCZQWFE-CYBMUJFWSA-N -1 3 379.251 3.773 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379631 609237262 /nfs/dbraw/zinc/23/72/62/609237262.db2.gz JAPZXUIYVROCFZ-GFCCVEGCSA-N -1 3 399.886 3.663 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379631 609237264 /nfs/dbraw/zinc/23/72/64/609237264.db2.gz JAPZXUIYVROCFZ-GFCCVEGCSA-N -1 3 399.886 3.663 20 0 GHADHM CC(C)CC(CC(C)C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824235347 609239874 /nfs/dbraw/zinc/23/98/74/609239874.db2.gz FZQSIDLUARFIOX-UHFFFAOYSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)CC(CC(C)C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824235347 609239875 /nfs/dbraw/zinc/23/98/75/609239875.db2.gz FZQSIDLUARFIOX-UHFFFAOYSA-N -1 3 386.544 3.701 20 0 GHADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824656820 609239893 /nfs/dbraw/zinc/23/98/93/609239893.db2.gz NFZRTYKVPQJSQF-ZDUSSCGKSA-N -1 3 398.898 3.654 20 0 GHADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824656820 609239894 /nfs/dbraw/zinc/23/98/94/609239894.db2.gz NFZRTYKVPQJSQF-ZDUSSCGKSA-N -1 3 398.898 3.654 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826161035 609247802 /nfs/dbraw/zinc/24/78/02/609247802.db2.gz QHXCYAQYBDBTAZ-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826161035 609247804 /nfs/dbraw/zinc/24/78/04/609247804.db2.gz QHXCYAQYBDBTAZ-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC)cc1Cl ZINC000826180701 609280031 /nfs/dbraw/zinc/28/00/31/609280031.db2.gz SVAJEGIDCACQBO-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC)cc1Cl ZINC000826180701 609280033 /nfs/dbraw/zinc/28/00/33/609280033.db2.gz SVAJEGIDCACQBO-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456979 609300695 /nfs/dbraw/zinc/30/06/95/609300695.db2.gz HCGZRBRTLSXBJB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456979 609300697 /nfs/dbraw/zinc/30/06/97/609300697.db2.gz HCGZRBRTLSXBJB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1cc(Br)cc(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000480404069 609301771 /nfs/dbraw/zinc/30/17/71/609301771.db2.gz NYANJZVCLUJXRL-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Br)cc(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000480404069 609301772 /nfs/dbraw/zinc/30/17/72/609301772.db2.gz NYANJZVCLUJXRL-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1nc(SCc2ccc(-c3nnn[n-]3)cc2Br)sc1C ZINC000826327540 609311577 /nfs/dbraw/zinc/31/15/77/609311577.db2.gz LFMAGGUJTOQLIT-UHFFFAOYSA-N -1 3 382.312 3.995 20 0 GHADHM Cc1nc(SCc2ccc(-c3nn[n-]n3)cc2Br)sc1C ZINC000826327540 609311579 /nfs/dbraw/zinc/31/15/79/609311579.db2.gz LFMAGGUJTOQLIT-UHFFFAOYSA-N -1 3 382.312 3.995 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000824936563 609321756 /nfs/dbraw/zinc/32/17/56/609321756.db2.gz JKONGZZGNPQEPR-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000824936563 609321758 /nfs/dbraw/zinc/32/17/58/609321758.db2.gz JKONGZZGNPQEPR-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824224803 609327377 /nfs/dbraw/zinc/32/73/77/609327377.db2.gz RBFJNDFBGUEBKG-HNNXBMFYSA-N -1 3 377.448 3.777 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824224803 609327379 /nfs/dbraw/zinc/32/73/79/609327379.db2.gz RBFJNDFBGUEBKG-HNNXBMFYSA-N -1 3 377.448 3.777 20 0 GHADHM CSCc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826229308 609342782 /nfs/dbraw/zinc/34/27/82/609342782.db2.gz ZFBIQZWMJZBGRF-UHFFFAOYSA-N -1 3 391.504 3.742 20 0 GHADHM CSCc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826229308 609342783 /nfs/dbraw/zinc/34/27/83/609342783.db2.gz ZFBIQZWMJZBGRF-UHFFFAOYSA-N -1 3 391.504 3.742 20 0 GHADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826181280 609346950 /nfs/dbraw/zinc/34/69/50/609346950.db2.gz SMPIKAWUCOWBRN-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826181280 609346953 /nfs/dbraw/zinc/34/69/53/609346953.db2.gz SMPIKAWUCOWBRN-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662626 609349195 /nfs/dbraw/zinc/34/91/95/609349195.db2.gz ODLILTSZARENAN-GFCCVEGCSA-N -1 3 382.443 3.707 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662626 609349197 /nfs/dbraw/zinc/34/91/97/609349197.db2.gz ODLILTSZARENAN-GFCCVEGCSA-N -1 3 382.443 3.707 20 0 GHADHM CSc1cc2c(cc1N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1F)OCCO2 ZINC000826230333 609349613 /nfs/dbraw/zinc/34/96/13/609349613.db2.gz OAYXYRZMABKHDC-JTQLQIEISA-N -1 3 387.440 3.672 20 0 GHADHM CSc1cc2c(cc1N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1F)OCCO2 ZINC000826230333 609349615 /nfs/dbraw/zinc/34/96/15/609349615.db2.gz OAYXYRZMABKHDC-JTQLQIEISA-N -1 3 387.440 3.672 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825966310 609356945 /nfs/dbraw/zinc/35/69/45/609356945.db2.gz XIABLRFKPHWAPT-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825966310 609356948 /nfs/dbraw/zinc/35/69/48/609356948.db2.gz XIABLRFKPHWAPT-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H]1F ZINC000824948379 609380447 /nfs/dbraw/zinc/38/04/47/609380447.db2.gz USFQFRGTZFJNBI-FZKQIMNGSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@H]1F ZINC000824948379 609380448 /nfs/dbraw/zinc/38/04/48/609380448.db2.gz USFQFRGTZFJNBI-FZKQIMNGSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824723366 609385212 /nfs/dbraw/zinc/38/52/12/609385212.db2.gz QMQBCRFGSZRTGV-AWEZNQCLSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824723366 609385213 /nfs/dbraw/zinc/38/52/13/609385213.db2.gz QMQBCRFGSZRTGV-AWEZNQCLSA-N -1 3 394.431 3.631 20 0 GHADHM Cc1cc(N[C@H](C)c2cncc(F)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270709 609387752 /nfs/dbraw/zinc/38/77/52/609387752.db2.gz LSHUCFWHJUHECH-GFCCVEGCSA-N -1 3 388.410 3.683 20 0 GHADHM Cc1cc(N[C@H](C)c2cncc(F)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270709 609387755 /nfs/dbraw/zinc/38/77/55/609387755.db2.gz LSHUCFWHJUHECH-GFCCVEGCSA-N -1 3 388.410 3.683 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)[C@@H]2C ZINC000826212379 609426907 /nfs/dbraw/zinc/42/69/07/609426907.db2.gz OQDHMOGWEVQUSO-VXGBXAGGSA-N -1 3 397.866 3.677 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)[C@@H]2C ZINC000826212379 609426909 /nfs/dbraw/zinc/42/69/09/609426909.db2.gz OQDHMOGWEVQUSO-VXGBXAGGSA-N -1 3 397.866 3.677 20 0 GHADHM CCc1noc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825771752 609450476 /nfs/dbraw/zinc/45/04/76/609450476.db2.gz PLTZGVPVRJBNKU-ZIAGYGMSSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1noc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825771752 609450478 /nfs/dbraw/zinc/45/04/78/609450478.db2.gz PLTZGVPVRJBNKU-ZIAGYGMSSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)(C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1cccnc1 ZINC000824064264 609451960 /nfs/dbraw/zinc/45/19/60/609451960.db2.gz FKDQQPXTWXXPFT-UHFFFAOYSA-N -1 3 396.520 3.899 20 0 GHADHM CC(C)(C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1cccnc1 ZINC000824064264 609451962 /nfs/dbraw/zinc/45/19/62/609451962.db2.gz FKDQQPXTWXXPFT-UHFFFAOYSA-N -1 3 396.520 3.899 20 0 GHADHM CCCCCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825276151 609452191 /nfs/dbraw/zinc/45/21/91/609452191.db2.gz RIEGIYDVAUWHCE-JTQLQIEISA-N -1 3 387.431 3.673 20 0 GHADHM CCCCCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825276151 609452192 /nfs/dbraw/zinc/45/21/92/609452192.db2.gz RIEGIYDVAUWHCE-JTQLQIEISA-N -1 3 387.431 3.673 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824119742 609454783 /nfs/dbraw/zinc/45/47/83/609454783.db2.gz PHIBCFCOAQUCAL-UHFFFAOYSA-N -1 3 388.378 3.966 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824119742 609454785 /nfs/dbraw/zinc/45/47/85/609454785.db2.gz PHIBCFCOAQUCAL-UHFFFAOYSA-N -1 3 388.378 3.966 20 0 GHADHM Cn1cccc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826364400 609484570 /nfs/dbraw/zinc/48/45/70/609484570.db2.gz VIJHSZFLWPMUCT-UHFFFAOYSA-N -1 3 378.411 3.535 20 0 GHADHM Cn1cccc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826364400 609484573 /nfs/dbraw/zinc/48/45/73/609484573.db2.gz VIJHSZFLWPMUCT-UHFFFAOYSA-N -1 3 378.411 3.535 20 0 GHADHM c1nn2ccccc2c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826516222 609485260 /nfs/dbraw/zinc/48/52/60/609485260.db2.gz BJQIJIKDGZFTFK-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1nn2ccccc2c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826516222 609485262 /nfs/dbraw/zinc/48/52/62/609485262.db2.gz BJQIJIKDGZFTFK-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000825552789 609490589 /nfs/dbraw/zinc/49/05/89/609490589.db2.gz DZBURNRHQGXYKB-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000825552789 609490590 /nfs/dbraw/zinc/49/05/90/609490590.db2.gz DZBURNRHQGXYKB-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cc(CC2CC2)nn1-c1ccccc1 ZINC000826371421 609491675 /nfs/dbraw/zinc/49/16/75/609491675.db2.gz FVPCKYPPSMSIEU-UHFFFAOYSA-N -1 3 389.438 3.756 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cc(CC2CC2)nn1-c1ccccc1 ZINC000826371421 609491678 /nfs/dbraw/zinc/49/16/78/609491678.db2.gz FVPCKYPPSMSIEU-UHFFFAOYSA-N -1 3 389.438 3.756 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260220 609504935 /nfs/dbraw/zinc/50/49/35/609504935.db2.gz BKOLYCFFEAWWQD-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260220 609504937 /nfs/dbraw/zinc/50/49/37/609504937.db2.gz BKOLYCFFEAWWQD-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825252830 609508768 /nfs/dbraw/zinc/50/87/68/609508768.db2.gz KNUDNOALYLRNKN-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825252830 609508769 /nfs/dbraw/zinc/50/87/69/609508769.db2.gz KNUDNOALYLRNKN-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM Cc1ccnc(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826311647 609531785 /nfs/dbraw/zinc/53/17/85/609531785.db2.gz KDTUKTFWLPWSCT-MYJAWHEDSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccnc(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826311647 609531786 /nfs/dbraw/zinc/53/17/86/609531786.db2.gz KDTUKTFWLPWSCT-MYJAWHEDSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826278664 609541783 /nfs/dbraw/zinc/54/17/83/609541783.db2.gz NOGRYVDHTSTNJJ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826278664 609541785 /nfs/dbraw/zinc/54/17/85/609541785.db2.gz NOGRYVDHTSTNJJ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](COc2ccccc2)C1 ZINC000826304636 609572932 /nfs/dbraw/zinc/57/29/32/609572932.db2.gz SLUNDTBHSKIDPL-MRXNPFEDSA-N -1 3 386.459 3.629 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](COc2ccccc2)C1 ZINC000826304636 609572935 /nfs/dbraw/zinc/57/29/35/609572935.db2.gz SLUNDTBHSKIDPL-MRXNPFEDSA-N -1 3 386.459 3.629 20 0 GHADHM Cc1cn(C2CCCCC2)nc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826317221 609595558 /nfs/dbraw/zinc/59/55/58/609595558.db2.gz SVHNOCUWSTVLQW-QXMHVHEDSA-N -1 3 377.452 3.529 20 0 GHADHM Cc1cn(C2CCCCC2)nc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826317221 609595561 /nfs/dbraw/zinc/59/55/61/609595561.db2.gz SVHNOCUWSTVLQW-QXMHVHEDSA-N -1 3 377.452 3.529 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264542 609609126 /nfs/dbraw/zinc/60/91/26/609609126.db2.gz RRGGLRQWHORUPN-VQIMIIECSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264542 609609131 /nfs/dbraw/zinc/60/91/31/609609131.db2.gz RRGGLRQWHORUPN-VQIMIIECSA-N -1 3 390.491 3.744 20 0 GHADHM CCn1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1-c1ccccc1 ZINC000784967604 837548329 /nfs/dbraw/zinc/54/83/29/837548329.db2.gz MUXUAFGTPKYJIH-UHFFFAOYSA-N -1 3 390.399 3.683 20 0 GHADHM CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000613335215 837674576 /nfs/dbraw/zinc/67/45/76/837674576.db2.gz AEQAOGYVTDEMHA-CQSZACIVSA-N -1 3 395.500 3.901 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173329101 837686499 /nfs/dbraw/zinc/68/64/99/837686499.db2.gz TXEWFOVEPFAKHQ-YVEFUNNKSA-N -1 3 381.432 3.731 20 0 GHADHM COc1cc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)cc(OC)c1[O-] ZINC000617964907 837709305 /nfs/dbraw/zinc/70/93/05/837709305.db2.gz SGKIGBFRRUIMTI-UHFFFAOYSA-N -1 3 398.242 3.620 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)c(Cl)c1F ZINC000430163486 834709686 /nfs/dbraw/zinc/70/96/86/834709686.db2.gz LNRYYZKTKILTIN-UHFFFAOYSA-N -1 3 386.583 3.703 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1C(F)(F)F)c1ccoc1 ZINC000510060297 834752212 /nfs/dbraw/zinc/75/22/12/834752212.db2.gz SRGHQRXWKUVPSI-UHFFFAOYSA-N -1 3 384.173 3.539 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)sc1Cl ZINC000188096673 834772857 /nfs/dbraw/zinc/77/28/57/834772857.db2.gz YALRDLFNHBGONS-UHFFFAOYSA-N -1 3 376.956 3.719 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(C)CCC(C)CC2)cc1OC ZINC000510068462 834821403 /nfs/dbraw/zinc/82/14/03/834821403.db2.gz DGERGXKZSKJLDP-UHFFFAOYSA-N -1 3 383.514 3.547 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc(Cl)c1F ZINC000146269581 834821985 /nfs/dbraw/zinc/82/19/85/834821985.db2.gz LFVCYYPETUTUOS-KSSFIOAISA-N -1 3 383.872 3.925 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000023371908 834846086 /nfs/dbraw/zinc/84/60/86/834846086.db2.gz PVALWJFOVNINCJ-UHFFFAOYSA-N -1 3 376.821 3.726 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000026542219 834959068 /nfs/dbraw/zinc/95/90/68/834959068.db2.gz KLQGXTLMCSVWLF-UHFFFAOYSA-N -1 3 391.489 3.834 20 0 GHADHM COc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1O ZINC000177218800 837829070 /nfs/dbraw/zinc/82/90/70/837829070.db2.gz JLRLONZCIMJCDR-UHFFFAOYSA-N -1 3 397.456 3.591 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000610193516 834996759 /nfs/dbraw/zinc/99/67/59/834996759.db2.gz GOKXBJTYIIFZOD-UHFFFAOYSA-N -1 3 391.489 3.563 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1)C(F)(F)F ZINC001211624351 835014292 /nfs/dbraw/zinc/01/42/92/835014292.db2.gz DNJQAVFTSJSVNI-UHFFFAOYSA-N -1 3 392.374 3.880 20 0 GHADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1cc(F)c(Cl)cc1Cl ZINC000049797728 835079125 /nfs/dbraw/zinc/07/91/25/835079125.db2.gz CBYPJVLPSXKMOE-MRVPVSSYSA-N -1 3 388.201 3.977 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1C ZINC000500794111 844015782 /nfs/dbraw/zinc/01/57/82/844015782.db2.gz KCCYBUQQBCMJTJ-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM COc1ccc(-n2ccc(C(=O)[N-]c3c(F)cc(C(C)=O)c(F)c3F)n2)cc1 ZINC000536137149 835091044 /nfs/dbraw/zinc/09/10/44/835091044.db2.gz YOOGXTYCKFKKIX-UHFFFAOYSA-N -1 3 389.333 3.753 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cnc(-c2ccccc2)s1 ZINC000511301556 835104192 /nfs/dbraw/zinc/10/41/92/835104192.db2.gz PMYOCONSWOXBBZ-UHFFFAOYSA-N -1 3 399.273 3.895 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](c3ccc(F)cc3)N(C)C)c12 ZINC000579843308 835326674 /nfs/dbraw/zinc/32/66/74/835326674.db2.gz AYXKEVHIPRPJJZ-CQSZACIVSA-N -1 3 388.468 3.860 20 0 GHADHM O=S(=O)([N-]CCc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1Cl ZINC000728581353 835339775 /nfs/dbraw/zinc/33/97/75/835339775.db2.gz FZQBAPSTASDFAY-UHFFFAOYSA-N -1 3 396.915 3.990 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1[O-] ZINC000094098713 835361561 /nfs/dbraw/zinc/36/15/61/835361561.db2.gz ZCNSCAWYGHCYOJ-UHFFFAOYSA-N -1 3 390.443 3.924 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429942890 844048062 /nfs/dbraw/zinc/04/80/62/844048062.db2.gz MPTHWYAAFAHWLI-TZMCWYRMSA-N -1 3 397.342 3.705 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000650789180 835505816 /nfs/dbraw/zinc/50/58/16/835505816.db2.gz CDPCEOBVYGXLCZ-OAHLLOKOSA-N -1 3 375.419 3.874 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000279945032 844074940 /nfs/dbraw/zinc/07/49/40/844074940.db2.gz ISDFWOVYIAIIIL-UHFFFAOYSA-N -1 3 397.475 3.628 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000547711769 835647543 /nfs/dbraw/zinc/64/75/43/835647543.db2.gz QZWPCHYQPWENKG-UHFFFAOYSA-N -1 3 376.522 3.855 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)c(C)c1C ZINC000471198520 835735312 /nfs/dbraw/zinc/73/53/12/835735312.db2.gz IZVSYJRVZUULPB-UHFFFAOYSA-N -1 3 386.517 3.658 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001211611635 835752547 /nfs/dbraw/zinc/75/25/47/835752547.db2.gz LMXLVRFQKDJYSA-KGLIPLIRSA-N -1 3 383.407 3.717 20 0 GHADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc2c(cc1[O-])OCO2 ZINC000054135313 844089284 /nfs/dbraw/zinc/08/92/84/844089284.db2.gz QYGDENRBAQYYNK-UHFFFAOYSA-N -1 3 377.400 3.573 20 0 GHADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000584252382 835804207 /nfs/dbraw/zinc/80/42/07/835804207.db2.gz DMNRVHQFWQVILY-UHFFFAOYSA-N -1 3 389.131 3.893 20 0 GHADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000584252382 835804216 /nfs/dbraw/zinc/80/42/16/835804216.db2.gz DMNRVHQFWQVILY-UHFFFAOYSA-N -1 3 389.131 3.893 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@H]3c3nccn3C)cc2)cc(=O)[n-]1 ZINC000584274489 835831673 /nfs/dbraw/zinc/83/16/73/835831673.db2.gz OXAXMHXZXJZLSR-GOSISDBHSA-N -1 3 392.463 3.506 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c([O-])c1 ZINC000179785675 835982056 /nfs/dbraw/zinc/98/20/56/835982056.db2.gz FYPASYDSNRUGPP-IBGZPJMESA-N -1 3 383.469 3.838 20 0 GHADHM CC(C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)cc1 ZINC000511338038 836061808 /nfs/dbraw/zinc/06/18/08/836061808.db2.gz CUGSGYIVZDLDJM-UHFFFAOYSA-N -1 3 376.229 3.574 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CCN1Cc1ccccc1 ZINC000180096370 836072386 /nfs/dbraw/zinc/07/23/86/836072386.db2.gz KFCIFSVQSWZGHS-CYBMUJFWSA-N -1 3 378.394 3.546 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@@H](c2ccccc2)C1 ZINC000429969798 844122148 /nfs/dbraw/zinc/12/21/48/844122148.db2.gz IRKBDQWJWUZDOZ-CQSZACIVSA-N -1 3 385.265 3.540 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000612381331 836142973 /nfs/dbraw/zinc/14/29/73/836142973.db2.gz BXTASESGFGGXFE-NUEKZKHPSA-N -1 3 376.884 3.659 20 0 GHADHM C[C@H](Cc1ccco1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000612381345 836143090 /nfs/dbraw/zinc/14/30/90/836143090.db2.gz CBZZIFLIQOXYNU-CYBMUJFWSA-N -1 3 390.867 3.695 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(C)oc1C(F)(F)F ZINC000275083060 836167343 /nfs/dbraw/zinc/16/73/43/836167343.db2.gz YTTBBLFUNNSMSQ-UHFFFAOYSA-N -1 3 388.367 3.909 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC(OCCCc4ccccc4)C3)nc2)n1 ZINC000433427036 844136958 /nfs/dbraw/zinc/13/69/58/844136958.db2.gz GSLFRWBNUDCAMP-UHFFFAOYSA-N -1 3 390.487 3.645 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178158760 836434809 /nfs/dbraw/zinc/43/48/09/836434809.db2.gz PEISMGJYQFVPFL-CQSZACIVSA-N -1 3 390.867 3.583 20 0 GHADHM COc1ccc(CC(=O)[N-]O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000748097403 836525202 /nfs/dbraw/zinc/52/52/02/836525202.db2.gz KNYGDBXQWWNNJD-AWEZNQCLSA-N -1 3 382.416 3.710 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1Cl ZINC000433443033 844176959 /nfs/dbraw/zinc/17/69/59/844176959.db2.gz KDPFEOZGPCTORI-CQSZACIVSA-N -1 3 382.888 3.674 20 0 GHADHM CNc1nnc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000018341788 836567279 /nfs/dbraw/zinc/56/72/79/836567279.db2.gz HOTHNRAMXXXDMY-SSDOTTSWSA-N -1 3 391.503 3.991 20 0 GHADHM O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc([O-])c(Br)c1 ZINC000180197079 836652672 /nfs/dbraw/zinc/65/26/72/836652672.db2.gz ZZVQPOMTTCWZGY-OAHLLOKOSA-N -1 3 384.657 3.548 20 0 GHADHM CC(C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(F)c1 ZINC000511372212 836687513 /nfs/dbraw/zinc/68/75/13/836687513.db2.gz POEPXANIEONIAX-UHFFFAOYSA-N -1 3 376.229 3.574 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000636109716 836702255 /nfs/dbraw/zinc/70/22/55/836702255.db2.gz GNYIRLNJZONDNL-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM Cc1cccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)n1 ZINC000570384477 836794416 /nfs/dbraw/zinc/79/44/16/836794416.db2.gz FQEISBVLXOPSPM-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1 ZINC000430372524 836846564 /nfs/dbraw/zinc/84/65/64/836846564.db2.gz GDDCWQWNIVRHLQ-UHFFFAOYSA-N -1 3 395.864 3.641 20 0 GHADHM CCCN1CCN(c2ccccc2CN=c2[n-]nc(-c3ccccc3C)o2)CC1 ZINC000579897293 836895020 /nfs/dbraw/zinc/89/50/20/836895020.db2.gz MXFAEAMMBUQHSJ-UHFFFAOYSA-N -1 3 391.519 3.611 20 0 GHADHM Cc1nnnn1-c1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000110076750 844214724 /nfs/dbraw/zinc/21/47/24/844214724.db2.gz JYQWOGDGAJAOSK-UHFFFAOYSA-N -1 3 385.427 3.519 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000134224667 836931886 /nfs/dbraw/zinc/93/18/86/836931886.db2.gz JWIYCEXWDHKEHD-LBPRGKRZSA-N -1 3 399.413 3.714 20 0 GHADHM O=C(CCCC1CCCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001266443848 836977538 /nfs/dbraw/zinc/97/75/38/836977538.db2.gz OQKXWEZWPYKENQ-UHFFFAOYSA-N -1 3 392.974 3.547 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)c(F)cc1F ZINC000175800447 837011348 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CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000605592592 837952201 /nfs/dbraw/zinc/95/22/01/837952201.db2.gz CCNHBAMQOYHYLY-NSHDSACASA-N -1 3 384.723 3.586 20 0 GHADHM CN(CC(F)(F)F)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430454456 837986730 /nfs/dbraw/zinc/98/67/30/837986730.db2.gz YXFFTMMYADOTSM-UHFFFAOYSA-N -1 3 397.578 3.578 20 0 GHADHM CSC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000120151411 838033834 /nfs/dbraw/zinc/03/38/34/838033834.db2.gz KWLGMEPEGIHAKU-OAHLLOKOSA-N -1 3 392.546 3.586 20 0 GHADHM CCC[C@H](CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001167311267 838126270 /nfs/dbraw/zinc/12/62/70/838126270.db2.gz XXMFLUJGGIIYQF-USXIJHARSA-N -1 3 384.442 3.876 20 0 GHADHM O=C(OCC1CCCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728724861 838202944 /nfs/dbraw/zinc/20/29/44/838202944.db2.gz JHRZQYDAKKMIMD-UHFFFAOYSA-N -1 3 380.441 3.692 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000129057518 844315402 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 ZINC000179533816 838545560 /nfs/dbraw/zinc/54/55/60/838545560.db2.gz RCYJONAEPQZQDP-ZIAGYGMSSA-N -1 3 393.443 3.863 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)c1 ZINC000181457588 838584829 /nfs/dbraw/zinc/58/48/29/838584829.db2.gz VAUSBFKBWDJERH-NRFANRHFSA-N -1 3 390.483 3.621 20 0 GHADHM O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181810878 838656924 /nfs/dbraw/zinc/65/69/24/838656924.db2.gz XVZLOCAYWUFMRC-OAHLLOKOSA-N -1 3 378.350 3.654 20 0 GHADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000430478678 838692364 /nfs/dbraw/zinc/69/23/64/838692364.db2.gz UXFMMTRMRBQUAD-GDBMZVCRSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182322790 838703386 /nfs/dbraw/zinc/70/33/86/838703386.db2.gz YTQLNNLWZGZDJE-HNNXBMFYSA-N -1 3 396.340 3.793 20 0 GHADHM CCN(CC)C(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000110231105 844358905 /nfs/dbraw/zinc/35/89/05/844358905.db2.gz LCJDUXDTEIILFC-UHFFFAOYSA-N -1 3 394.515 3.704 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc3ccccc3c2)ccc1F ZINC000045308950 838812725 /nfs/dbraw/zinc/81/27/25/838812725.db2.gz NBICOBWKEKNOIM-UHFFFAOYSA-N -1 3 398.459 3.720 20 0 GHADHM CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000416252707 838818511 /nfs/dbraw/zinc/81/85/11/838818511.db2.gz PNVLBMYZYIVZPI-OAHLLOKOSA-N -1 3 384.476 3.645 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(F)cc1 ZINC000182878392 838838366 /nfs/dbraw/zinc/83/83/66/838838366.db2.gz BJBDWQWJNIYGFK-OAQYLSRUSA-N -1 3 392.430 3.709 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000182891115 838847030 /nfs/dbraw/zinc/84/70/30/838847030.db2.gz VZGYSIOAIMTDSN-UHFFFAOYSA-N -1 3 386.451 3.626 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1C(C)C ZINC000511541471 838868714 /nfs/dbraw/zinc/86/87/14/838868714.db2.gz SUPZRQMUOOWYKM-UHFFFAOYSA-N -1 3 387.390 3.965 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(-c2ccncc2)no1 ZINC000378340954 838896628 /nfs/dbraw/zinc/89/66/28/838896628.db2.gz IRDZNTKTFOETHL-HNNXBMFYSA-N -1 3 390.365 3.876 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cccc(F)c1 ZINC000183143942 838908304 /nfs/dbraw/zinc/90/83/04/838908304.db2.gz WUYYUKWABAYMEA-OAQYLSRUSA-N -1 3 392.430 3.709 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC2CCC1CC2 ZINC000378388928 839017874 /nfs/dbraw/zinc/01/78/74/839017874.db2.gz KWZNIPHQGKNPRM-UHFFFAOYSA-N -1 3 388.464 3.641 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c(=O)[n-]1 ZINC000377169935 839044756 /nfs/dbraw/zinc/04/47/56/839044756.db2.gz ZZIJGQHOFGCCPM-FQEVSTJZSA-N -1 3 389.446 3.820 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000580264373 839145675 /nfs/dbraw/zinc/14/56/75/839145675.db2.gz GGJCHLOMNLBZSI-KBXCAEBGSA-N -1 3 384.480 3.827 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000580264374 839145755 /nfs/dbraw/zinc/14/57/55/839145755.db2.gz GGJCHLOMNLBZSI-KDOFPFPSSA-N -1 3 384.480 3.827 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000660032253 839393409 /nfs/dbraw/zinc/39/34/09/839393409.db2.gz CIKUXLSMWLEARU-UHFFFAOYSA-N -1 3 375.856 3.762 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c(Cl)c1Cl ZINC000416608718 839485915 /nfs/dbraw/zinc/48/59/15/839485915.db2.gz SCNXXQJGCGAXSC-SSDOTTSWSA-N -1 3 380.215 3.869 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)cc1Cl ZINC000416610274 839488290 /nfs/dbraw/zinc/48/82/90/839488290.db2.gz WOUIZROUJSAYRY-SSDOTTSWSA-N -1 3 380.215 3.869 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000580497148 839676120 /nfs/dbraw/zinc/67/61/20/839676120.db2.gz OSWDBUDAHILULZ-MSOLQXFVSA-N -1 3 379.453 3.617 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1OC(F)F ZINC001167414071 839697022 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GHADHM COC[C@H](C)[C@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000580826413 840286450 /nfs/dbraw/zinc/28/64/50/840286450.db2.gz RBYPHFIMCQKPBA-UWVGGRQHSA-N -1 3 392.257 3.670 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000500418964 840435007 /nfs/dbraw/zinc/43/50/07/840435007.db2.gz HVFINGJXPLWASP-UHFFFAOYSA-N -1 3 392.421 3.931 20 0 GHADHM C[C@@H]1N([C@H](C(=O)[O-])c2ccc(Br)cc2F)CCC12CCOCC2 ZINC000584637937 840436013 /nfs/dbraw/zinc/43/60/13/840436013.db2.gz GOSYFCIUBVHPBN-NHYWBVRUSA-N -1 3 386.261 3.605 20 0 GHADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1c(F)cccc1OC(F)(F)F ZINC000584672471 840494563 /nfs/dbraw/zinc/49/45/63/840494563.db2.gz VQABCIAYSISWCM-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000660162235 840538587 /nfs/dbraw/zinc/53/85/87/840538587.db2.gz LXEYBMVHPCYJSV-BMIGLBTASA-N -1 3 393.814 3.759 20 0 GHADHM CCOc1ccc(-c2nc(C[S@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)co2)cc1 ZINC000417178969 840568054 /nfs/dbraw/zinc/56/80/54/840568054.db2.gz PHQNQJYYKLOMOQ-MUUNZHRXSA-N -1 3 399.472 3.562 20 0 GHADHM O=C([N-]c1nc2n(n1)CCCC2)c1sc2ccccc2c1Br ZINC000580996047 840572940 /nfs/dbraw/zinc/57/29/40/840572940.db2.gz MGXQWWPBWZPJLJ-UHFFFAOYSA-N -1 3 377.267 3.844 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3c(C)cccc3C)c2)[n-]1 ZINC000432906527 844579688 /nfs/dbraw/zinc/57/96/88/844579688.db2.gz RRBJWFWBHOPUCO-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3c(C)cccc3C)c2)n[n-]1 ZINC000432906527 844579693 /nfs/dbraw/zinc/57/96/93/844579693.db2.gz RRBJWFWBHOPUCO-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(I)ccc1[O-] ZINC000610486416 840851391 /nfs/dbraw/zinc/85/13/91/840851391.db2.gz WNISZPPOBXLOSF-IINYFYTJSA-N -1 3 389.233 3.531 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc2ccccc2o1 ZINC000610485749 840861130 /nfs/dbraw/zinc/86/11/30/840861130.db2.gz CWJGERQBEWZCIU-UHFFFAOYSA-N -1 3 379.153 3.995 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@H]1CSc2ccccc21 ZINC000610490460 840953290 /nfs/dbraw/zinc/95/32/90/840953290.db2.gz AQKSXXOSKQEROV-NSHDSACASA-N -1 3 397.237 3.825 20 0 GHADHM Cc1nn(C)c2ncc(CN[C@@H](CC(=O)[O-])c3cc(Cl)cc(Cl)c3)cc12 ZINC000417570679 841006078 /nfs/dbraw/zinc/00/60/78/841006078.db2.gz WOFZOKOJRXGHHM-INIZCTEOSA-N -1 3 393.274 3.889 20 0 GHADHM Cc1nn(C)c2ncc(CN[C@H](CC(=O)[O-])c3cc(Cl)cc(Cl)c3)cc12 ZINC000417570681 841006445 /nfs/dbraw/zinc/00/64/45/841006445.db2.gz WOFZOKOJRXGHHM-MRXNPFEDSA-N -1 3 393.274 3.889 20 0 GHADHM COc1cc(C[C@H](NCc2cc(Cl)sc2Cl)C(=O)[O-])cc(OC)c1 ZINC000417577931 841020086 /nfs/dbraw/zinc/02/00/86/841020086.db2.gz XLYCHAHDHRXTKW-ZDUSSCGKSA-N -1 3 390.288 3.858 20 0 GHADHM O=C([O-])[C@H](Cc1ccco1)NCc1cc(C(F)(F)F)ccc1Br ZINC000417575854 841032409 /nfs/dbraw/zinc/03/24/09/841032409.db2.gz TZXGFTCWRDWRNO-ZDUSSCGKSA-N -1 3 392.171 3.846 20 0 GHADHM C[S@@](=O)c1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000417587637 841035018 /nfs/dbraw/zinc/03/50/18/841035018.db2.gz ODLRANWCNAVEHH-YHAMSUFESA-N -1 3 385.407 3.748 20 0 GHADHM CC(C)Cn1cc(CN[C@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417638919 841088701 /nfs/dbraw/zinc/08/87/01/841088701.db2.gz KTCBRERDXXQCCI-DYVFJYSZSA-N -1 3 394.313 3.853 20 0 GHADHM COC(C)(C)C[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184009686 841092436 /nfs/dbraw/zinc/09/24/36/841092436.db2.gz JRXCPQCBRSEXLB-JXFKEZNVSA-N -1 3 398.503 3.573 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000417641998 841092519 /nfs/dbraw/zinc/09/25/19/841092519.db2.gz SRPSIQNHLLKDLI-BDJLRTHQSA-N -1 3 390.281 3.668 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000660743435 841148359 /nfs/dbraw/zinc/14/83/59/841148359.db2.gz CGUXSSNKOGPVFY-OAQYLSRUSA-N -1 3 398.551 3.952 20 0 GHADHM CCCN1C[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CC1=O ZINC000643144825 841178835 /nfs/dbraw/zinc/17/88/35/841178835.db2.gz IHGJOCGEMXCZDS-INIZCTEOSA-N -1 3 393.443 3.747 20 0 GHADHM O=c1nc(CN(C2CC2)C2(CO)CCC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000660772636 841181395 /nfs/dbraw/zinc/18/13/95/841181395.db2.gz ANASVMZIAHNGSH-UHFFFAOYSA-N -1 3 399.491 3.670 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 ZINC000069121327 841194514 /nfs/dbraw/zinc/19/45/14/841194514.db2.gz VDEQTXHCOOSFGY-HGZMWJMZSA-N -1 3 398.488 3.727 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H]4CCCN4)no3)cc2)c1C ZINC000647155672 841198077 /nfs/dbraw/zinc/19/80/77/841198077.db2.gz DQJBZXMUEHLKLW-GOSISDBHSA-N -1 3 398.488 3.579 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2sc(Br)cc2C)s1 ZINC000651641818 841207298 /nfs/dbraw/zinc/20/72/98/841207298.db2.gz APLFWFFVDKPGIO-QMMMGPOBSA-N -1 3 395.369 3.666 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000613763116 841224428 /nfs/dbraw/zinc/22/44/28/841224428.db2.gz NCZYMANMZISONI-LLVKDONJSA-N -1 3 376.444 3.507 20 0 GHADHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc([O-])ccc1Cl ZINC000500033510 841297016 /nfs/dbraw/zinc/29/70/16/841297016.db2.gz AJEMGHIWWWMMSX-LIRRHRJNSA-N -1 3 387.863 3.827 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)c(F)c1F ZINC000625218250 861200136 /nfs/dbraw/zinc/20/01/36/861200136.db2.gz OGGPIPRNNFYZLU-LJQANCHMSA-N -1 3 393.455 3.646 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000651744087 841501255 /nfs/dbraw/zinc/50/12/55/841501255.db2.gz PPVLDSALRNNCQW-SNVBAGLBSA-N -1 3 396.397 3.631 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](OCc3ccncc3)C2)c1C ZINC000581491961 841532035 /nfs/dbraw/zinc/53/20/35/841532035.db2.gz OKFRFZFODVSJEO-KRWDZBQOSA-N -1 3 377.444 3.740 20 0 GHADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317577656 841546228 /nfs/dbraw/zinc/54/62/28/841546228.db2.gz NQIGNEYRIXEHQZ-LBPRGKRZSA-N -1 3 386.286 3.806 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1)C1CCCCC1 ZINC000656615910 841565943 /nfs/dbraw/zinc/56/59/43/841565943.db2.gz GWWZFVAUYSRCCE-UXHICEINSA-N -1 3 397.537 3.581 20 0 GHADHM CCCN1Cc2cccc([N-]S(=O)(=O)C[C@@H](OC)C3CCCCC3)c2C1 ZINC000656621186 841588832 /nfs/dbraw/zinc/58/88/32/841588832.db2.gz LWIMCXALPFTNIO-HXUWFJFHSA-N -1 3 380.554 3.749 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C)C1CCCCC1 ZINC000656630768 841619936 /nfs/dbraw/zinc/61/99/36/841619936.db2.gz DIFQEIONTVGDOD-CQSZACIVSA-N -1 3 380.432 3.746 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c1 ZINC001211516039 841797135 /nfs/dbraw/zinc/79/71/35/841797135.db2.gz WOQKHMHTCWSILF-UHFFFAOYSA-N -1 3 391.464 3.667 20 0 GHADHM C[C@H](N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1(C)CC1 ZINC000184153639 841853938 /nfs/dbraw/zinc/85/39/38/841853938.db2.gz DVUKZJAENKPALY-OXJNMPFZSA-N -1 3 380.488 3.900 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC001211655957 841858306 /nfs/dbraw/zinc/85/83/06/841858306.db2.gz FOHORSOWJQZQOE-GOSISDBHSA-N -1 3 397.443 3.817 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000582121893 841913522 /nfs/dbraw/zinc/91/35/22/841913522.db2.gz NTZYMFMBSRMZHJ-FUHWJXTLSA-N -1 3 390.499 3.672 20 0 GHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000303340331 841979740 /nfs/dbraw/zinc/97/97/40/841979740.db2.gz LLEQVTDXHXGQFG-UHFFFAOYSA-N -1 3 386.839 3.974 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000024431999 842011228 /nfs/dbraw/zinc/01/12/28/842011228.db2.gz UEZFETQBRGMAKU-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM COC(=O)c1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)o1 ZINC000604511069 842053367 /nfs/dbraw/zinc/05/33/67/842053367.db2.gz ZLGRVDXVNCSMET-UHFFFAOYSA-N -1 3 396.428 3.501 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000730768176 861266334 /nfs/dbraw/zinc/26/63/34/861266334.db2.gz GUERNJBZLCUSDG-UHFFFAOYSA-N -1 3 378.881 3.771 20 0 GHADHM COC(=O)c1ccc(CCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000609476875 842086055 /nfs/dbraw/zinc/08/60/55/842086055.db2.gz SDWBGPBDRIBRQN-UHFFFAOYSA-N -1 3 383.835 3.510 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000581749145 842144252 /nfs/dbraw/zinc/14/42/52/842144252.db2.gz HMMGBWXKXCLEDU-UHFFFAOYSA-N -1 3 399.438 3.805 20 0 GHADHM COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)NCc2ncccc2[O-])cc1 ZINC000471735028 842288848 /nfs/dbraw/zinc/28/88/48/842288848.db2.gz FWAPEWXWATWNSH-LJQANCHMSA-N -1 3 395.434 3.718 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000730809478 861296871 /nfs/dbraw/zinc/29/68/71/861296871.db2.gz PMQZZUDOBZJPTH-UHFFFAOYSA-N -1 3 380.279 3.598 20 0 GHADHM CC(C)C(=O)N1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000157231384 861302357 /nfs/dbraw/zinc/30/23/57/861302357.db2.gz IMVIYFNLNNRTEY-UHFFFAOYSA-N -1 3 382.460 3.561 20 0 GHADHM CCCC[C@@H](CC)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000050040093 842493517 /nfs/dbraw/zinc/49/35/17/842493517.db2.gz KTNDPGVYVZBUNH-CQSZACIVSA-N -1 3 385.530 3.795 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)ccc1F ZINC000135331737 842559541 /nfs/dbraw/zinc/55/95/41/842559541.db2.gz WBXOAOTUGHVRQL-UHFFFAOYSA-N -1 3 379.453 3.740 20 0 GHADHM O=C([N-]NC(=O)c1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000006480363 842570966 /nfs/dbraw/zinc/57/09/66/842570966.db2.gz XBQUTWZMDDHGMD-UHFFFAOYSA-N -1 3 388.048 3.831 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000432464823 842587053 /nfs/dbraw/zinc/58/70/53/842587053.db2.gz ZYQMODLEBLTVTN-MRXNPFEDSA-N -1 3 380.897 3.834 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Br)ccc1OC(F)F ZINC000652491076 842628835 /nfs/dbraw/zinc/62/88/35/842628835.db2.gz SDDNEINCNIFDLY-IUPBHXKESA-N -1 3 390.224 3.736 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2C[C@H](OC)C[C@H]2CC(=O)[O-])on1 ZINC000652503603 842634651 /nfs/dbraw/zinc/63/46/51/842634651.db2.gz XCAQFESELPOQLB-JKSUJKDBSA-N -1 3 396.443 3.567 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1Cl ZINC000432481841 842640352 /nfs/dbraw/zinc/64/03/52/842640352.db2.gz XRCUFNQKHQLAMJ-QGZVFWFLSA-N -1 3 380.897 3.834 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2coc3ccccc23)cc1Cl ZINC000512146466 842647897 /nfs/dbraw/zinc/64/78/97/842647897.db2.gz KRARJHHKCUFREC-UHFFFAOYSA-N -1 3 396.827 3.662 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000899615425 861339239 /nfs/dbraw/zinc/33/92/39/861339239.db2.gz QYFUWSLMQAILBQ-HXUWFJFHSA-N -1 3 393.405 3.564 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCSC[C@@H](C)C3)nc(=O)c2c1C ZINC000253587609 842817124 /nfs/dbraw/zinc/81/71/24/842817124.db2.gz KAYVCYAUCHLKFS-CMPLNLGQSA-N -1 3 395.550 3.628 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000663261109 842942054 /nfs/dbraw/zinc/94/20/54/842942054.db2.gz YILXSRQOBZASDA-KUHUBIRLSA-N -1 3 377.868 3.978 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000637376250 842949505 /nfs/dbraw/zinc/94/95/05/842949505.db2.gz KIISFSDLRDKICG-RYUDHWBXSA-N -1 3 375.753 3.792 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2C)c1 ZINC000185330084 843005320 /nfs/dbraw/zinc/00/53/20/843005320.db2.gz UNUFEIQTYOQMQT-CQSZACIVSA-N -1 3 393.443 3.610 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)C[C@H](C)O1 ZINC000279451053 843064507 /nfs/dbraw/zinc/06/45/07/843064507.db2.gz FHUANXBCTSRMNS-GASCZTMLSA-N -1 3 377.444 3.806 20 0 GHADHM O=C(CCCCCc1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000186408622 843077933 /nfs/dbraw/zinc/07/79/33/843077933.db2.gz HWXZAZIVJOCBDJ-UHFFFAOYSA-N -1 3 398.478 3.619 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 ZINC000471871835 843083414 /nfs/dbraw/zinc/08/34/14/843083414.db2.gz RFMKYJNBPNLHIQ-ZDUSSCGKSA-N -1 3 389.452 3.786 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3sccc3C)n2)cc1 ZINC000471876645 843171237 /nfs/dbraw/zinc/17/12/37/843171237.db2.gz YYJFFEBPHMNFOD-LBPRGKRZSA-N -1 3 377.491 3.708 20 0 GHADHM CC(C)c1ccc([C@H](CN=c2ncnc3[nH][n-]cc2-3)NC(=O)OC(C)(C)C)cc1 ZINC000728908553 843272926 /nfs/dbraw/zinc/27/29/26/843272926.db2.gz MEPDHGBBOGDMEH-KRWDZBQOSA-N -1 3 396.495 3.528 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)cc3C)n2)ccc1F ZINC000471893332 843296324 /nfs/dbraw/zinc/29/63/24/843296324.db2.gz QLDZZPKOOWLCMQ-GFCCVEGCSA-N -1 3 393.415 3.671 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nccs1 ZINC000429811413 843413243 /nfs/dbraw/zinc/41/32/43/843413243.db2.gz DZYUGQHMKZUDJR-SNVBAGLBSA-N -1 3 395.731 3.989 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)[n-]1 ZINC000432679002 843442427 /nfs/dbraw/zinc/44/24/27/843442427.db2.gz VHAPKZINLLDIHD-CQSZACIVSA-N -1 3 393.484 3.721 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000432693575 843514125 /nfs/dbraw/zinc/51/41/25/843514125.db2.gz CMMNCZIABDEBEX-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000432693575 843514128 /nfs/dbraw/zinc/51/41/28/843514128.db2.gz CMMNCZIABDEBEX-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000511979927 843517996 /nfs/dbraw/zinc/51/79/96/843517996.db2.gz AFSYSPJDEIRTSY-LLVKDONJSA-N -1 3 394.265 3.989 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC001211716074 843564141 /nfs/dbraw/zinc/56/41/41/843564141.db2.gz DCDCHRWPQIMCTM-UHFFFAOYSA-N -1 3 379.696 3.953 20 0 GHADHM COc1c(Br)cc(F)cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001211717344 843599193 /nfs/dbraw/zinc/59/91/93/843599193.db2.gz WFYLBFJOKOZWEL-UHFFFAOYSA-N -1 3 383.217 3.748 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)NCc1cccs1 ZINC000843688893 843620113 /nfs/dbraw/zinc/62/01/13/843620113.db2.gz LAGMMNVIPLGISR-AWEZNQCLSA-N -1 3 386.851 3.705 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000431162547 843728420 /nfs/dbraw/zinc/72/84/20/843728420.db2.gz JKZIVJGYSYHHEK-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc2F)c1 ZINC000431168434 843753138 /nfs/dbraw/zinc/75/31/38/843753138.db2.gz IMHRJIYNTSAVLG-UHFFFAOYSA-N -1 3 385.342 3.538 20 0 GHADHM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432770238 843760405 /nfs/dbraw/zinc/76/04/05/843760405.db2.gz GKSCSZRFMACBFR-UHFFFAOYSA-N -1 3 398.488 3.789 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431172165 843768317 /nfs/dbraw/zinc/76/83/17/843768317.db2.gz IRAOMVSGXYBMGP-UHFFFAOYSA-N -1 3 395.456 3.542 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431179433 843782772 /nfs/dbraw/zinc/78/27/72/843782772.db2.gz MFBJSKDTVWJHCR-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000410421200 843785341 /nfs/dbraw/zinc/78/53/41/843785341.db2.gz UNPDLDBXCDLXMB-UHFFFAOYSA-N -1 3 385.489 3.984 20 0 GHADHM [O-]c1ccc(F)c(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1F ZINC000509812595 843836391 /nfs/dbraw/zinc/83/63/91/843836391.db2.gz BURFLJOAYNODNP-UHFFFAOYSA-N -1 3 392.715 3.675 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)[n-]1 ZINC000432794023 843854202 /nfs/dbraw/zinc/85/42/02/843854202.db2.gz ROLWOLRMEQBCGE-UHFFFAOYSA-N -1 3 394.427 3.779 20 0 GHADHM CC(C)(C)N=c1[n-]nc([C@@H]2CCCO[C@H]2c2ccccc2)n1C[C@@H]1CCOC1 ZINC000652687930 843945627 /nfs/dbraw/zinc/94/56/27/843945627.db2.gz PVYKGJXNLIYITP-UHOSZYNNSA-N -1 3 384.524 3.582 20 0 GHADHM CSCC[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780532247 844657728 /nfs/dbraw/zinc/65/77/28/844657728.db2.gz SQLDXKIEDPHCFU-KXBFYZLASA-N -1 3 386.517 3.511 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000056211932 844818625 /nfs/dbraw/zinc/81/86/25/844818625.db2.gz FSTCGUOGOGIKAM-UHFFFAOYSA-N -1 3 396.874 3.660 20 0 GHADHM O=C([N-]c1nc2cc(Br)ccn2n1)c1cc2cc(F)ccc2o1 ZINC001273103249 861506046 /nfs/dbraw/zinc/50/60/46/861506046.db2.gz ZDUCNJBZCPVNKP-UHFFFAOYSA-N -1 3 375.157 3.629 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(F)c2)cc1OC ZINC000277163660 844874076 /nfs/dbraw/zinc/87/40/76/844874076.db2.gz DKVAHOWCGSFERL-AWEZNQCLSA-N -1 3 399.365 3.750 20 0 GHADHM C[C@]1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC=CCC1 ZINC000458313149 844938520 /nfs/dbraw/zinc/93/85/20/844938520.db2.gz NCFCFOYXALJLBF-FQEVSTJZSA-N -1 3 388.464 3.855 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3[C@@H]4Cc5c(cccc5Cl)[C@@H]43)nc21 ZINC000599704745 861517754 /nfs/dbraw/zinc/51/77/54/861517754.db2.gz NTUSYAVMSYFTBN-UHOFOFEASA-N -1 3 381.819 3.527 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000512746931 845327568 /nfs/dbraw/zinc/32/75/68/845327568.db2.gz PHQKOYBEGBAHDY-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000431278843 845490469 /nfs/dbraw/zinc/49/04/69/845490469.db2.gz IEKODCLFGASRQF-XJKSGUPXSA-N -1 3 391.464 3.713 20 0 GHADHM CCN(Cc1ccc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)cc1)C1CC1 ZINC000511017583 845617936 /nfs/dbraw/zinc/61/79/36/845617936.db2.gz RGZXMJDDDVKJOA-UHFFFAOYSA-N -1 3 378.501 3.864 20 0 GHADHM O=C(CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C1CCCCC1 ZINC000657284015 845665757 /nfs/dbraw/zinc/66/57/57/845665757.db2.gz LAYWJCKXLPGIBI-UHFFFAOYSA-N -1 3 382.489 3.822 20 0 GHADHM O=C(CCOCC1CC1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000434072811 846218933 /nfs/dbraw/zinc/21/89/33/846218933.db2.gz TWVRPLPEEYZQEN-UHFFFAOYSA-N -1 3 398.688 3.670 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c3ccco3)n1)O[C@H](C)C2 ZINC000502649396 846315257 /nfs/dbraw/zinc/31/52/57/846315257.db2.gz PJIOMISMYDXUTA-OSAQELSMSA-N -1 3 394.431 3.529 20 0 GHADHM CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640355 861677805 /nfs/dbraw/zinc/67/78/05/861677805.db2.gz MEZZUCYDIKTXNF-UHFFFAOYSA-N -1 3 378.881 3.915 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681646 846484112 /nfs/dbraw/zinc/48/41/12/846484112.db2.gz YOVJQOWISWAEBY-ZJUUUORDSA-N -1 3 382.224 3.785 20 0 GHADHM Cc1cccc([C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421683192 846485843 /nfs/dbraw/zinc/48/58/43/846485843.db2.gz RTXRKOZUCMUXFR-SNVBAGLBSA-N -1 3 390.203 3.680 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000280679920 846497189 /nfs/dbraw/zinc/49/71/89/846497189.db2.gz CJLPBCZCHFTYEI-UHFFFAOYSA-N -1 3 395.434 3.785 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc2ccsc21 ZINC000502935798 846628714 /nfs/dbraw/zinc/62/87/14/846628714.db2.gz OIAIUFREOCPTIG-UHFFFAOYSA-N -1 3 390.468 3.926 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600355746 861700935 /nfs/dbraw/zinc/70/09/35/861700935.db2.gz JOPYCUJMNCPVGM-XHDPSFHLSA-N -1 3 387.398 3.851 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000502972285 846658721 /nfs/dbraw/zinc/65/87/21/846658721.db2.gz VKZRBTKRRLGPTB-UHFFFAOYSA-N -1 3 393.447 3.641 20 0 GHADHM CC(C)[C@@H](NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000419589394 846677916 /nfs/dbraw/zinc/67/79/16/846677916.db2.gz QCNVTIQSEYWYTI-LJQANCHMSA-N -1 3 389.496 3.945 20 0 GHADHM CC[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000421922430 846688374 /nfs/dbraw/zinc/68/83/74/846688374.db2.gz UIVNEOTWYKJGOQ-ZDUSSCGKSA-N -1 3 378.469 3.711 20 0 GHADHM O=c1cc(CS(=O)(=O)[C@H]2CCc3c2cc(Cl)cc3Cl)nc(C2CC2)[n-]1 ZINC000414421618 846713956 /nfs/dbraw/zinc/71/39/56/846713956.db2.gz YQDGJRGTMRBVLE-HNNXBMFYSA-N -1 3 399.299 3.969 20 0 GHADHM Cc1ccc(Cc2cnc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)s2)cc1C ZINC000582250547 846728674 /nfs/dbraw/zinc/72/86/74/846728674.db2.gz VELJPJNZYFAXQX-UHFFFAOYSA-N -1 3 380.473 3.976 20 0 GHADHM COC(=O)[C@H](CNC(=O)[C@H]1CCC[C@H]1c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422035426 846764516 /nfs/dbraw/zinc/76/45/16/846764516.db2.gz GUPJGXWQDTXPTI-FHWLQOOXSA-N -1 3 399.462 3.563 20 0 GHADHM CCc1c2ccccc2oc1C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422051574 846784480 /nfs/dbraw/zinc/78/44/80/846784480.db2.gz YSNBWWYPQLSUPV-AWEZNQCLSA-N -1 3 399.418 3.602 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1cc(F)ccc1Cl ZINC000472212269 846810134 /nfs/dbraw/zinc/81/01/34/846810134.db2.gz WUVDZPWKRYSLKY-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)cc2)n1 ZINC000152378659 846827264 /nfs/dbraw/zinc/82/72/64/846827264.db2.gz LAVZJYOLQOVSDV-WBVHZDCISA-N -1 3 381.382 3.766 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000176656763 846850015 /nfs/dbraw/zinc/85/00/15/846850015.db2.gz YLOOCXGACYTYLY-UHFFFAOYSA-N -1 3 383.398 3.786 20 0 GHADHM CCCCc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N(CC)CC)s1 ZINC000503161010 846856628 /nfs/dbraw/zinc/85/66/28/846856628.db2.gz RVVTZNBUOKGCKE-MRXNPFEDSA-N -1 3 375.542 3.507 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2cc(Br)cs2)cc1 ZINC000731611185 861741886 /nfs/dbraw/zinc/74/18/86/861741886.db2.gz QTXDVAYJSQIAJT-UHFFFAOYSA-N -1 3 390.205 3.611 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)c(C)c1 ZINC000501796906 847198060 /nfs/dbraw/zinc/19/80/60/847198060.db2.gz LBGYJZXYQRFNOC-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1nccs1 ZINC000420673638 847365035 /nfs/dbraw/zinc/36/50/35/847365035.db2.gz LSRLIWHHEBWMKK-VIFPVBQESA-N -1 3 382.841 3.828 20 0 GHADHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000420726383 847401883 /nfs/dbraw/zinc/40/18/83/847401883.db2.gz NBDSZUWANOKOQU-UONOGXRCSA-N -1 3 386.926 3.699 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)cc1OC ZINC000420736031 847416530 /nfs/dbraw/zinc/41/65/30/847416530.db2.gz KZDQSLUGQQWGER-ZDUSSCGKSA-N -1 3 389.395 3.518 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CC(OC(C)(C)C)C1 ZINC000422196484 847461436 /nfs/dbraw/zinc/46/14/36/847461436.db2.gz XKJXHYGHYOKSHF-UHFFFAOYSA-N -1 3 385.302 3.642 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502136535 847507598 /nfs/dbraw/zinc/50/75/98/847507598.db2.gz DMQMCILPVPERKN-AAEUAGOBSA-N -1 3 397.401 3.515 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C3CCCC3)cc2)C1=O ZINC000414654737 847582301 /nfs/dbraw/zinc/58/23/01/847582301.db2.gz IVIYRXVDEDRTRJ-FGZHOGPDSA-N -1 3 392.499 3.861 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000502197868 847599401 /nfs/dbraw/zinc/59/94/01/847599401.db2.gz UWRFRNOMIKJBES-CVEARBPZSA-N -1 3 379.503 3.539 20 0 GHADHM Cc1c(CN[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)sc2c1cccc2Cl ZINC000414662711 847639261 /nfs/dbraw/zinc/63/92/61/847639261.db2.gz ROIFSYOTIRGULU-GOEBONIOSA-N -1 3 394.924 3.663 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC(C)C)c2ccccc21)c1ccco1 ZINC000673824557 861829771 /nfs/dbraw/zinc/82/97/71/861829771.db2.gz MYKKJUZMVHGJHF-KRWDZBQOSA-N -1 3 389.473 3.886 20 0 GHADHM COc1cc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)cc(Br)c1[O-] ZINC000350772758 861850676 /nfs/dbraw/zinc/85/06/76/861850676.db2.gz FLYMUUVZQRVAMW-AOOOYVTPSA-N -1 3 382.258 3.586 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c(C)c1 ZINC000685002478 848118144 /nfs/dbraw/zinc/11/81/44/848118144.db2.gz SLXGRGXNYBJNGI-UHFFFAOYSA-N -1 3 385.489 3.822 20 0 GHADHM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000582730204 848178987 /nfs/dbraw/zinc/17/89/87/848178987.db2.gz KWWYAFZXPGLRMU-OXQOHEQNSA-N -1 3 398.507 3.983 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1Cl ZINC000179970003 861878094 /nfs/dbraw/zinc/87/80/94/861878094.db2.gz GSJCRWLRZBQCSR-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)c1 ZINC000611733083 848641841 /nfs/dbraw/zinc/64/18/41/848641841.db2.gz NSFIMUGGKRIYCQ-LBPRGKRZSA-N -1 3 379.482 3.503 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000731914372 861956003 /nfs/dbraw/zinc/95/60/03/861956003.db2.gz FDRMKHHDCLBHDX-UHFFFAOYSA-N -1 3 375.595 3.543 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000731915731 861957338 /nfs/dbraw/zinc/95/73/38/861957338.db2.gz KWTBKLJWEJQHTR-AWEZNQCLSA-N -1 3 378.384 3.764 20 0 GHADHM CCS(=O)(=O)N(C)c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000657718902 848919542 /nfs/dbraw/zinc/91/95/42/848919542.db2.gz SXSYJNYQESWXMM-UHFFFAOYSA-N -1 3 399.310 3.553 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cc(F)cc3n[n-]nc32)n1 ZINC000431520289 848972689 /nfs/dbraw/zinc/97/26/89/848972689.db2.gz OERRFACQPRYVQS-UHFFFAOYSA-N -1 3 383.408 3.790 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000555842120 861972646 /nfs/dbraw/zinc/97/26/46/861972646.db2.gz WXNBLZYHVJKEJC-QGZVFWFLSA-N -1 3 390.892 3.816 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)c2C1 ZINC000190280070 849102069 /nfs/dbraw/zinc/10/20/69/849102069.db2.gz MEZGMZPQOGNVRV-UHFFFAOYSA-N -1 3 384.501 3.978 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000535956865 849286563 /nfs/dbraw/zinc/28/65/63/849286563.db2.gz YMOOMUOUUFITHZ-HOCLYGCPSA-N -1 3 390.480 3.793 20 0 GHADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000056068920 849665669 /nfs/dbraw/zinc/66/56/69/849665669.db2.gz PBELKRPCAUYKBK-UHFFFAOYSA-N -1 3 375.277 3.654 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000278229346 849750505 /nfs/dbraw/zinc/75/05/05/849750505.db2.gz VDNBISYCPFZJCG-GOSISDBHSA-N -1 3 399.491 3.754 20 0 GHADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503992485 849825603 /nfs/dbraw/zinc/82/56/03/849825603.db2.gz KASIERXKFFVQQY-UHFFFAOYSA-N -1 3 376.395 3.549 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000732085899 862070951 /nfs/dbraw/zinc/07/09/51/862070951.db2.gz PBARNXGBEXHUHJ-BENRWUELSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000732085899 862070961 /nfs/dbraw/zinc/07/09/61/862070961.db2.gz PBARNXGBEXHUHJ-BENRWUELSA-N -1 3 387.365 3.605 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000514615438 850058705 /nfs/dbraw/zinc/05/87/05/850058705.db2.gz YOBBRCXSDZKGKA-UHFFFAOYSA-N -1 3 389.858 3.900 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000510028932 850155507 /nfs/dbraw/zinc/15/55/07/850155507.db2.gz JYUVTMNXEUUXFL-DGCLKSJQSA-N -1 3 385.835 3.841 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncccc3F)c2)cc1 ZINC000439610464 850186000 /nfs/dbraw/zinc/18/60/00/850186000.db2.gz LKYKOIWQNZFJCF-UHFFFAOYSA-N -1 3 387.436 3.642 20 0 GHADHM CC1CCN([C@H](CNC(=O)N2CCCCC[C@H]2C(=O)[O-])c2cccs2)CC1 ZINC000908749216 850320501 /nfs/dbraw/zinc/32/05/01/850320501.db2.gz NYOPFVNDPLKCMW-DLBZAZTESA-N -1 3 393.553 3.560 20 0 GHADHM O=C([O-])[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCCC1 ZINC000908750328 850323469 /nfs/dbraw/zinc/32/34/69/850323469.db2.gz CUZLQQIVEJQUDR-WOJBJXKFSA-N -1 3 387.524 3.546 20 0 GHADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000481722316 862130449 /nfs/dbraw/zinc/13/04/49/862130449.db2.gz XYIZETFAYAOHAH-ZWKOTPCHSA-N -1 3 399.491 3.552 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N(CC(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000908901233 850465806 /nfs/dbraw/zinc/46/58/06/850465806.db2.gz NZXZOJDVCMUWHS-FQEVSTJZSA-N -1 3 387.524 3.561 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000481723425 862132093 /nfs/dbraw/zinc/13/20/93/862132093.db2.gz BAMCYRBNCPHJSA-KRWDZBQOSA-N -1 3 380.261 3.887 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000909095790 850569180 /nfs/dbraw/zinc/56/91/80/850569180.db2.gz XKKHZJWAHGTVPS-LVCYWYKZSA-N -1 3 395.503 3.507 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1F)c1cc(F)ccc1Cl ZINC000732228414 862160435 /nfs/dbraw/zinc/16/04/35/862160435.db2.gz TXVGULCNIZHDCS-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COCc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)o1 ZINC000505241353 850769824 /nfs/dbraw/zinc/76/98/24/850769824.db2.gz YXLVLIUYBOIWAB-INIZCTEOSA-N -1 3 388.370 3.523 20 0 GHADHM O=[S@](Cc1ccc(I)c(Cl)c1)c1ccc([O-])cc1 ZINC000435722728 850807321 /nfs/dbraw/zinc/80/73/21/850807321.db2.gz KZVIJMIKPNJCCM-GOSISDBHSA-N -1 3 392.645 3.958 20 0 GHADHM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000909835726 850814990 /nfs/dbraw/zinc/81/49/90/850814990.db2.gz UOPKTHDWTQEAGU-CRAIPNDOSA-N -1 3 384.451 3.865 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000909840927 850820423 /nfs/dbraw/zinc/82/04/23/850820423.db2.gz OLBCBVSBIUIXKJ-MAUKXSAKSA-N -1 3 384.451 3.865 20 0 GHADHM CC[C@@](CNC(=O)c1oc2ccccc2c1CN(C)C)(C(=O)[O-])c1ccccc1 ZINC000909844264 850820837 /nfs/dbraw/zinc/82/08/37/850820837.db2.gz DETWSKAWZQUNFQ-QHCPKHFHSA-N -1 3 394.471 3.657 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)s1 ZINC000487736148 850870459 /nfs/dbraw/zinc/87/04/59/850870459.db2.gz WIUKAVXKYWSYSG-SNVBAGLBSA-N -1 3 380.491 3.904 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)c(C)o1 ZINC000434230172 850909234 /nfs/dbraw/zinc/90/92/34/850909234.db2.gz VPSSZXUPRJIMIT-IBGZPJMESA-N -1 3 392.521 3.747 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(C)c1 ZINC000440290066 851009069 /nfs/dbraw/zinc/00/90/69/851009069.db2.gz AOWRHLUNTHXOGQ-UHFFFAOYSA-N -1 3 391.489 3.535 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cc(OC)c1[O-] ZINC000513963070 851076576 /nfs/dbraw/zinc/07/65/76/851076576.db2.gz KQURDPIWABKLPX-HNNXBMFYSA-N -1 3 387.476 3.948 20 0 GHADHM COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)c(Br)c1[O-] ZINC000426638824 851091250 /nfs/dbraw/zinc/09/12/50/851091250.db2.gz SNSDRKGUNWTRPX-AWEZNQCLSA-N -1 3 394.265 3.511 20 0 GHADHM Cc1nc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1C(=O)[O-] ZINC000910293107 851125949 /nfs/dbraw/zinc/12/59/49/851125949.db2.gz YWEXUYISOMESIN-HNNXBMFYSA-N -1 3 379.382 3.793 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000515536353 851144190 /nfs/dbraw/zinc/14/41/90/851144190.db2.gz FHKKHHSRLLYKQG-UHFFFAOYSA-N -1 3 381.819 3.826 20 0 GHADHM COC[C@H](C)n1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000187531347 851180849 /nfs/dbraw/zinc/18/08/49/851180849.db2.gz JEQUGYOIJQMXDK-HNNXBMFYSA-N -1 3 381.432 3.627 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000473635010 851303119 /nfs/dbraw/zinc/30/31/19/851303119.db2.gz CSXOWGNSHLLETA-UHFFFAOYSA-N -1 3 389.333 3.923 20 0 GHADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ncccc1[O-] ZINC000473629846 851305962 /nfs/dbraw/zinc/30/59/62/851305962.db2.gz OSIVKCKNARYNIT-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3cc(F)ccc3F)cc2)cc(=O)[n-]1 ZINC000473632884 851315145 /nfs/dbraw/zinc/31/51/45/851315145.db2.gz DZZRCHRZXUWGCV-UHFFFAOYSA-N -1 3 384.386 3.800 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCOc3cc(C)cc(C)c3)[n-]c(=O)c12 ZINC000604458476 862234299 /nfs/dbraw/zinc/23/42/99/862234299.db2.gz DGHSUJPBKHJTHN-UHFFFAOYSA-N -1 3 399.472 3.613 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001269838494 851459624 /nfs/dbraw/zinc/45/96/24/851459624.db2.gz GLDSVKCWRPKJEH-OKILXGFUSA-N -1 3 390.833 3.606 20 0 GHADHM Cc1nc(NC(=O)c2cccc(C)c2[O-])sc1C1N=NC(=S)N1C1CC1 ZINC000171445755 862259022 /nfs/dbraw/zinc/25/90/22/862259022.db2.gz INNYJBJOYVPQGL-UHFFFAOYSA-N -1 3 387.490 3.600 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000911247570 851643499 /nfs/dbraw/zinc/64/34/99/851643499.db2.gz KFYMMBOKKLVHDW-OAQYLSRUSA-N -1 3 380.488 3.896 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000911278844 851659917 /nfs/dbraw/zinc/65/99/17/851659917.db2.gz FGJPNFPUKLKVPG-CABCVRRESA-N -1 3 398.956 3.608 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000911263655 851667471 /nfs/dbraw/zinc/66/74/71/851667471.db2.gz OQFKJADPFADQAR-XYJFISCASA-N -1 3 398.528 3.817 20 0 GHADHM CCCN(C)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488663522 851680240 /nfs/dbraw/zinc/68/02/40/851680240.db2.gz ZOZDOQDVALQZSA-UHFFFAOYSA-N -1 3 377.282 3.931 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1coc(-c2ccccc2)n1 ZINC000608028427 851737323 /nfs/dbraw/zinc/73/73/23/851737323.db2.gz OJTWISJGRJDSGN-UHFFFAOYSA-N -1 3 395.440 3.616 20 0 GHADHM CCOC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101627780 851745506 /nfs/dbraw/zinc/74/55/06/851745506.db2.gz LWPKUKQTNZRIMW-UHFFFAOYSA-N -1 3 381.472 3.593 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)CC1 ZINC000911503099 851762710 /nfs/dbraw/zinc/76/27/10/851762710.db2.gz XYTUDDGBXRFYHR-UHFFFAOYSA-N -1 3 378.557 3.627 20 0 GHADHM O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000101636204 851767813 /nfs/dbraw/zinc/76/78/13/851767813.db2.gz ICQYYYIKRRGHBR-UHFFFAOYSA-N -1 3 399.495 3.649 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488800519 851779355 /nfs/dbraw/zinc/77/93/55/851779355.db2.gz YLZQVJILSQPCLV-UHFFFAOYSA-N -1 3 395.349 3.731 20 0 GHADHM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCCC1 ZINC000911779767 851890089 /nfs/dbraw/zinc/89/00/89/851890089.db2.gz SYYIFACTIOSFML-UYAOXDASSA-N -1 3 390.499 3.578 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cc(Br)ccc2Cl)n1 ZINC000911808341 851904622 /nfs/dbraw/zinc/90/46/22/851904622.db2.gz CSJXFRCGJDQJCT-UHFFFAOYSA-N -1 3 398.688 3.501 20 0 GHADHM O=C(NC1(c2ccccc2Br)CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000911864049 851925127 /nfs/dbraw/zinc/92/51/27/851925127.db2.gz KDJNMWQKMYTVJY-UHFFFAOYSA-N -1 3 388.265 3.631 20 0 GHADHM CC1(C)CC[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436555111 852044075 /nfs/dbraw/zinc/04/40/75/852044075.db2.gz JKSIJILISRUYQJ-ICSRJNTNSA-N -1 3 380.488 3.948 20 0 GHADHM CC1(C)CCC[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436557876 852045368 /nfs/dbraw/zinc/04/53/68/852045368.db2.gz SUIJSUOBYSGMQA-VQTJNVASSA-N -1 3 380.488 3.948 20 0 GHADHM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436541527 852053380 /nfs/dbraw/zinc/05/33/80/852053380.db2.gz YBKWAMLZUFWNEK-UHFFFAOYSA-N -1 3 394.393 3.941 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436577884 852061080 /nfs/dbraw/zinc/06/10/80/852061080.db2.gz VZVFEMXWCLVJDG-SFHVURJKSA-N -1 3 381.472 3.787 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c([O-])c1C ZINC000436562866 852066215 /nfs/dbraw/zinc/06/62/15/852066215.db2.gz BUYGZYVLQRAURL-UHFFFAOYSA-N -1 3 390.443 3.978 20 0 GHADHM COc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c([O-])c1 ZINC000436570974 852072808 /nfs/dbraw/zinc/07/28/08/852072808.db2.gz UGIJBYKHPXZYBR-UHFFFAOYSA-N -1 3 399.834 3.909 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(I)cc1 ZINC000436571321 852074218 /nfs/dbraw/zinc/07/42/18/852074218.db2.gz CNEJVCSXBCKUAI-OAHLLOKOSA-N -1 3 393.224 3.974 20 0 GHADHM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)c2)n1 ZINC000436591345 852078989 /nfs/dbraw/zinc/07/89/89/852078989.db2.gz WUMRFXRTFRCBIN-UHFFFAOYSA-N -1 3 392.459 3.615 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC000436587552 852095766 /nfs/dbraw/zinc/09/57/66/852095766.db2.gz XCXGDXDLZRSMLG-SNVBAGLBSA-N -1 3 388.221 3.696 20 0 GHADHM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603208 852102991 /nfs/dbraw/zinc/10/29/91/852102991.db2.gz MGSRTGMANXPCQZ-XXBNENTESA-N -1 3 397.540 3.962 20 0 GHADHM CCNC(=O)c1cccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436605980 852104250 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CC[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436678964 852186019 /nfs/dbraw/zinc/18/60/19/852186019.db2.gz DSRWCJOUBQYAHY-KRWDZBQOSA-N -1 3 380.488 3.697 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c([O-])c1 ZINC000436686364 852196939 /nfs/dbraw/zinc/19/69/39/852196939.db2.gz GNTOKMNGLNMIIR-UHFFFAOYSA-N -1 3 376.460 3.862 20 0 GHADHM COc1cc(-c2nc(-c3cccnc3N3CCCCC3)no2)cc(OC)c1[O-] ZINC000436692991 852202626 /nfs/dbraw/zinc/20/26/26/852202626.db2.gz ZOVKNLRHUSOYML-UHFFFAOYSA-N -1 3 382.420 3.512 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000436695457 852210397 /nfs/dbraw/zinc/21/03/97/852210397.db2.gz KVSRRZYHLMIRCX-UHFFFAOYSA-N -1 3 380.488 3.672 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCc2cc(Cl)sc2Cl)c([O-])c1 ZINC000436720707 852245325 /nfs/dbraw/zinc/24/53/25/852245325.db2.gz UULQDJRNZKDGKC-UHFFFAOYSA-N -1 3 387.288 3.505 20 0 GHADHM Cc1ccoc1CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436747327 852287980 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20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(=Cc3ccccc3F)CC2)c([O-])c1 ZINC000436974852 852560539 /nfs/dbraw/zinc/56/05/39/852560539.db2.gz CMWIIXSBOOQPIP-UHFFFAOYSA-N -1 3 396.462 3.666 20 0 GHADHM O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436978428 852564097 /nfs/dbraw/zinc/56/40/97/852564097.db2.gz HRLWAKFATNXIBE-KRWDZBQOSA-N -1 3 378.819 3.836 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436976760 852564261 /nfs/dbraw/zinc/56/42/61/852564261.db2.gz APQKMIUGPMHFMF-ZDUSSCGKSA-N -1 3 389.521 3.847 20 0 GHADHM O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436977988 852565043 /nfs/dbraw/zinc/56/50/43/852565043.db2.gz FYHGPRANNVAMRK-UHFFFAOYSA-N -1 3 392.455 3.562 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H](C)[C@H]3C)cs2)c1 ZINC000436989769 852579333 /nfs/dbraw/zinc/57/93/33/852579333.db2.gz PEVAOVRLDFGMAF-ZIAGYGMSSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000436991583 852582132 /nfs/dbraw/zinc/58/21/32/852582132.db2.gz ROMBTRKXQDAJTF-IPYPFGDCSA-N -1 3 385.464 3.743 20 0 GHADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C[C@@H](C)O1 ZINC000489884756 852623529 /nfs/dbraw/zinc/62/35/29/852623529.db2.gz QHSZWEPEFAZTER-GHMZBOCLSA-N -1 3 399.406 3.596 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000427087612 852714561 /nfs/dbraw/zinc/71/45/61/852714561.db2.gz OPQMHWXHCFLHOS-UHFFFAOYSA-N -1 3 379.439 3.770 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000427087612 852714567 /nfs/dbraw/zinc/71/45/67/852714567.db2.gz OPQMHWXHCFLHOS-UHFFFAOYSA-N -1 3 379.439 3.770 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000427091203 852717741 /nfs/dbraw/zinc/71/77/41/852717741.db2.gz CFPBGHGTENERCS-AWEZNQCLSA-N -1 3 395.425 3.939 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1OCC ZINC000509588635 853021205 /nfs/dbraw/zinc/02/12/05/853021205.db2.gz WSQYAZLWYBSNNV-UHFFFAOYSA-N -1 3 377.462 3.610 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1F ZINC000507584620 853071620 /nfs/dbraw/zinc/07/16/20/853071620.db2.gz SGQVBGSNUGHPBG-UHFFFAOYSA-N -1 3 393.436 3.687 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)ccc1F ZINC000437408992 853103319 /nfs/dbraw/zinc/10/33/19/853103319.db2.gz QZLGDOUNSWHRGQ-UHFFFAOYSA-N -1 3 396.447 3.568 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1cc(F)c(F)c(F)c1 ZINC000438952687 853126713 /nfs/dbraw/zinc/12/67/13/853126713.db2.gz XQFSMSPIDYNXIE-UHFFFAOYSA-N -1 3 378.375 3.644 20 0 GHADHM Cn1cc(-c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)c(C(F)(F)F)n1 ZINC000426247301 853144699 /nfs/dbraw/zinc/14/46/99/853144699.db2.gz ASJLHOYCMHVBIP-UHFFFAOYSA-N -1 3 389.696 3.534 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccc(Br)cc1 ZINC000913299242 853210213 /nfs/dbraw/zinc/21/02/13/853210213.db2.gz WQQWJLDDAFTHHH-JTQLQIEISA-N -1 3 389.205 3.860 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccc(Br)cc1 ZINC000913299242 853210219 /nfs/dbraw/zinc/21/02/19/853210219.db2.gz WQQWJLDDAFTHHH-JTQLQIEISA-N -1 3 389.205 3.860 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669087838 853218493 /nfs/dbraw/zinc/21/84/93/853218493.db2.gz ZLGCTZXMWIQVQP-KRWDZBQOSA-N -1 3 375.472 3.677 20 0 GHADHM O=C(NC1CCC2(CC2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000517007813 853248000 /nfs/dbraw/zinc/24/80/00/853248000.db2.gz QCTUAMFIFDOYRT-UHFFFAOYSA-N -1 3 375.266 3.743 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc2ccccc2n1C(F)F ZINC000506068127 853280027 /nfs/dbraw/zinc/28/00/27/853280027.db2.gz BKKFHPZXIMBREU-LLVKDONJSA-N -1 3 382.370 3.764 20 0 GHADHM COc1ccc2c(c1)OCC[C@@H]2[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001126491501 853292189 /nfs/dbraw/zinc/29/21/89/853292189.db2.gz OTBFMUNDQSIUKU-AWEZNQCLSA-N -1 3 382.794 3.784 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000439159357 853348502 /nfs/dbraw/zinc/34/85/02/853348502.db2.gz ROUCWMOBABCADU-QMTHXVAHSA-N -1 3 396.260 3.686 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1nc(C2CCCCC2)no1 ZINC000329957885 862456172 /nfs/dbraw/zinc/45/61/72/862456172.db2.gz MFBMLUOWKURGTK-CYBMUJFWSA-N -1 3 386.477 3.705 20 0 GHADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000517088136 853367100 /nfs/dbraw/zinc/36/71/00/853367100.db2.gz STWZDJGRZYEQND-GZMMTYOYSA-N -1 3 386.233 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000437691605 853422650 /nfs/dbraw/zinc/42/26/50/853422650.db2.gz ALJMIWMNWXSQSU-KXBFYZLASA-N -1 3 381.444 3.719 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1Br ZINC000518492778 853424921 /nfs/dbraw/zinc/42/49/21/853424921.db2.gz OFFRPVCUCMOSTG-NSHDSACASA-N -1 3 382.279 3.882 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000623851010 862468856 /nfs/dbraw/zinc/46/88/56/862468856.db2.gz YJXBVRSJAHOEPW-HZPDHXFCSA-N -1 3 386.492 3.880 20 0 GHADHM O=c1cc(CSCc2cn3cc(Br)ccc3n2)nc(C2CC2)[n-]1 ZINC000519814397 853508082 /nfs/dbraw/zinc/50/80/82/853508082.db2.gz WVDOXDMUXULKAY-UHFFFAOYSA-N -1 3 391.294 3.903 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c(Cl)c1 ZINC000517257149 853575375 /nfs/dbraw/zinc/57/53/75/853575375.db2.gz ARLAZINQNXLJIO-INIZCTEOSA-N -1 3 396.896 3.535 20 0 GHADHM CCOC(=O)c1cccc(N(CC)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000586877139 853590455 /nfs/dbraw/zinc/59/04/55/853590455.db2.gz NZKIPBFHGPKQRY-UHFFFAOYSA-N -1 3 396.418 3.819 20 0 GHADHM CC(C)(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000437867031 853618984 /nfs/dbraw/zinc/61/89/84/853618984.db2.gz NIPMICDOROPQEC-UHFFFAOYSA-N -1 3 383.883 3.795 20 0 GHADHM CC(C)(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000437867031 853618989 /nfs/dbraw/zinc/61/89/89/853618989.db2.gz NIPMICDOROPQEC-UHFFFAOYSA-N -1 3 383.883 3.795 20 0 GHADHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(Br)c1[O-] ZINC000517349475 853697371 /nfs/dbraw/zinc/69/73/71/853697371.db2.gz WENSZAKUBJNTBL-CQSZACIVSA-N -1 3 395.322 3.783 20 0 GHADHM COc1ccc2c(c1)CN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000520033147 853768284 /nfs/dbraw/zinc/76/82/84/853768284.db2.gz CBAUBBUJCGEMEN-UHFFFAOYSA-N -1 3 390.443 3.756 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473894046 853853323 /nfs/dbraw/zinc/85/33/23/853853323.db2.gz LCWZQIDNLBYEFD-UHFFFAOYSA-N -1 3 391.456 3.780 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473894046 853853329 /nfs/dbraw/zinc/85/33/29/853853329.db2.gz LCWZQIDNLBYEFD-UHFFFAOYSA-N -1 3 391.456 3.780 20 0 GHADHM O=C(N[C@@H]1CC12CCCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000571474038 853888143 /nfs/dbraw/zinc/88/81/43/853888143.db2.gz BAFXMAXXUHGMDI-GOSISDBHSA-N -1 3 388.464 3.689 20 0 GHADHM CCc1ccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c([O-])c1 ZINC000188300662 853923055 /nfs/dbraw/zinc/92/30/55/853923055.db2.gz BGJVPMLPUDBLPH-UHFFFAOYSA-N -1 3 384.476 3.689 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1[O-] ZINC000588097280 854125981 /nfs/dbraw/zinc/12/59/81/854125981.db2.gz FMRCLTOWAYDZFW-UHFFFAOYSA-N -1 3 398.802 3.644 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1C(C)C ZINC000473898928 854143601 /nfs/dbraw/zinc/14/36/01/854143601.db2.gz XRHQESJUZUJERC-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1C(C)C ZINC000473898928 854143607 /nfs/dbraw/zinc/14/36/07/854143607.db2.gz XRHQESJUZUJERC-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000112913247 854359551 /nfs/dbraw/zinc/35/95/51/854359551.db2.gz VJAWDHQFHZCXKK-UHFFFAOYSA-N -1 3 395.500 3.709 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCc3cc(F)ccc3F)c2)n1 ZINC000156835264 854405319 /nfs/dbraw/zinc/40/53/19/854405319.db2.gz DWBHEIZBAVPXCC-UHFFFAOYSA-N -1 3 384.382 3.952 20 0 GHADHM CCc1ncc(CN[C@@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000623996013 862573080 /nfs/dbraw/zinc/57/30/80/862573080.db2.gz PWMPHYRUYOMNQO-HNNXBMFYSA-N -1 3 385.489 3.889 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000572495097 854523426 /nfs/dbraw/zinc/52/34/26/854523426.db2.gz FYESMLKLDPAIHD-OAHLLOKOSA-N -1 3 394.258 3.580 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c1Cl ZINC000328776877 854537178 /nfs/dbraw/zinc/53/71/78/854537178.db2.gz IGMHYTISDYEICK-ZDUSSCGKSA-N -1 3 378.321 3.929 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3ccc4c(c3)OCO4)nc2)n1 ZINC000068694495 854611339 /nfs/dbraw/zinc/61/13/39/854611339.db2.gz VBGFZSQUIBDBFE-UHFFFAOYSA-N -1 3 392.459 3.513 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccccc4Cl)C3)nc2)n1 ZINC000068700946 854612022 /nfs/dbraw/zinc/61/20/22/854612022.db2.gz PPIDPILTODTGDT-GOSISDBHSA-N -1 3 396.878 3.626 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nc(C(C)(C)C)cs1 ZINC000330815861 854756188 /nfs/dbraw/zinc/75/61/88/854756188.db2.gz MRTAOQJNPLDGOC-QMMMGPOBSA-N -1 3 393.328 3.836 20 0 GHADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1C(F)(F)F ZINC000186249442 854792901 /nfs/dbraw/zinc/79/29/01/854792901.db2.gz YYQJEGIXMJRJST-UHFFFAOYSA-N -1 3 384.667 3.925 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C)CCC(F)(F)CC2)cc1OC ZINC000624445316 854809912 /nfs/dbraw/zinc/80/99/12/854809912.db2.gz FOHIXAGUXAAQRT-UHFFFAOYSA-N -1 3 390.452 3.611 20 0 GHADHM COc1cc2ncc(C(=O)Nc3nc(C(C)(C)C)cs3)c([O-])c2c(OC)c1 ZINC000624527846 854877815 /nfs/dbraw/zinc/87/78/15/854877815.db2.gz SVXPDWCFXGWCRF-UHFFFAOYSA-N -1 3 387.461 3.552 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cc2cc(Br)ccc2o1)C(F)(F)F ZINC000572781743 854988121 /nfs/dbraw/zinc/98/81/21/854988121.db2.gz ZVGVLFZJVUBUFZ-VIFPVBQESA-N -1 3 380.160 3.938 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000589689156 855108155 /nfs/dbraw/zinc/10/81/55/855108155.db2.gz NVTTUPMLTCMAGT-JOCHJYFZSA-N -1 3 388.467 3.612 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cn(-c2ccccc2)nn1 ZINC000589915967 855200991 /nfs/dbraw/zinc/20/09/91/855200991.db2.gz JDCLHEXQTQKLFS-UHFFFAOYSA-N -1 3 382.836 3.692 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCc4c3cccc4O)cc2)cc(=O)[n-]1 ZINC000590303905 855356204 /nfs/dbraw/zinc/35/62/04/855356204.db2.gz YCDXWILHXGRMGY-KRWDZBQOSA-N -1 3 376.416 3.672 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl ZINC000055631481 855362218 /nfs/dbraw/zinc/36/22/18/855362218.db2.gz CKFPWMLBJIXZEG-HNNXBMFYSA-N -1 3 397.880 3.707 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)cc1F ZINC000055649427 855368287 /nfs/dbraw/zinc/36/82/87/855368287.db2.gz PFPYYGDDSFTREF-UHFFFAOYSA-N -1 3 393.415 3.577 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c(C)c1 ZINC000055687765 855377827 /nfs/dbraw/zinc/37/78/27/855377827.db2.gz PXUKBHXJLIVEIP-UHFFFAOYSA-N -1 3 379.478 3.610 20 0 GHADHM CCC1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC000536414694 855406824 /nfs/dbraw/zinc/40/68/24/855406824.db2.gz QDEGZVREUYHBCA-UHFFFAOYSA-N -1 3 386.926 3.701 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C ZINC001128100443 855545625 /nfs/dbraw/zinc/54/56/25/855545625.db2.gz HRQGBZJBBXCHBA-VREYTZKDSA-N -1 3 376.453 3.545 20 0 GHADHM CCc1nc2cc(S(=O)(=O)[N-][C@H](Cc3ccccc3)C(F)(F)F)ccc2o1 ZINC000542754036 855626369 /nfs/dbraw/zinc/62/63/69/855626369.db2.gz KGLVLFSLGMARAX-MRXNPFEDSA-N -1 3 398.406 3.842 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1C ZINC000573004255 855685006 /nfs/dbraw/zinc/68/50/06/855685006.db2.gz USVCSJDSTKDIQV-IUODEOHRSA-N -1 3 382.382 3.547 20 0 GHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000605022169 862714372 /nfs/dbraw/zinc/71/43/72/862714372.db2.gz UTWUYVAZPDAWJY-AWEZNQCLSA-N -1 3 399.292 3.864 20 0 GHADHM COc1ccc(-c2ccccc2C)cc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417664028 855829085 /nfs/dbraw/zinc/82/90/85/855829085.db2.gz NYFWGUHKKVQEEZ-IBGZPJMESA-N -1 3 399.487 3.945 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(Cc2ccccc2)no1 ZINC000765859911 855829889 /nfs/dbraw/zinc/82/98/89/855829889.db2.gz XSGHFWYYTBRRNQ-LBPRGKRZSA-N -1 3 375.350 3.769 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C(=O)OC(C)(C)C)c2)cc1 ZINC000591351453 855948067 /nfs/dbraw/zinc/94/80/67/855948067.db2.gz NFKWEAZIWNXCOR-LJQANCHMSA-N -1 3 385.460 3.956 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1nc(C)cs1 ZINC000591399200 855981719 /nfs/dbraw/zinc/98/17/19/855981719.db2.gz XTNGMWITSQHMPP-HNNXBMFYSA-N -1 3 377.491 3.677 20 0 GHADHM CCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H](CC)c1ccccc1 ZINC000591448589 855993442 /nfs/dbraw/zinc/99/34/42/855993442.db2.gz SUCOGHLKOUIVSF-IBGZPJMESA-N -1 3 380.492 3.984 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3cc(F)cc(Br)c3)no1)OCO2 ZINC000436691401 856054851 /nfs/dbraw/zinc/05/48/51/856054851.db2.gz XUYJTBUSYKGMAS-UHFFFAOYSA-N -1 3 393.168 3.663 20 0 GHADHM COc1ccc(OC)c(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485101449 856092371 /nfs/dbraw/zinc/09/23/71/856092371.db2.gz WEBKGXOZGBUDED-UHFFFAOYSA-N -1 3 392.415 3.806 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)c(C)c1 ZINC000030531634 856110119 /nfs/dbraw/zinc/11/01/19/856110119.db2.gz RMWWOQRWWCZZCK-GOSISDBHSA-N -1 3 388.489 3.530 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000485133512 856132639 /nfs/dbraw/zinc/13/26/39/856132639.db2.gz MXCWLCOLWPPBDI-UHFFFAOYSA-N -1 3 387.399 3.819 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000032097781 856209139 /nfs/dbraw/zinc/20/91/39/856209139.db2.gz UCLZIWYGQOTBDT-UHFFFAOYSA-N -1 3 376.453 3.809 20 0 GHADHM C[C@@H](CC1CCCCC1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001128702734 856228748 /nfs/dbraw/zinc/22/87/48/856228748.db2.gz KLTBXMKPPAZLHB-AWEZNQCLSA-N -1 3 398.544 3.991 20 0 GHADHM Cc1cc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c(C)s1 ZINC000032532069 856239405 /nfs/dbraw/zinc/23/94/05/856239405.db2.gz BHEHATZQMJRMHV-UHFFFAOYSA-N -1 3 385.820 3.738 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CN(CC)C(C)=O)c2)cc1 ZINC000032599416 856244013 /nfs/dbraw/zinc/24/40/13/856244013.db2.gz IMOJDNFCSUPVHX-UHFFFAOYSA-N -1 3 390.505 3.645 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3cc(F)ccc3s2)s1 ZINC000172606279 856281017 /nfs/dbraw/zinc/28/10/17/856281017.db2.gz IIOUKTHFJPFEDL-UHFFFAOYSA-N -1 3 379.438 3.640 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172000977 856319791 /nfs/dbraw/zinc/31/97/91/856319791.db2.gz USKGASVBVQRBLC-BZNIZROVSA-N -1 3 377.282 3.941 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccncc1 ZINC000671678626 856326895 /nfs/dbraw/zinc/32/68/95/856326895.db2.gz PZLGJQCLTUVQCQ-SNVBAGLBSA-N -1 3 378.803 3.836 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCc2ccccc21 ZINC000485350192 856376946 /nfs/dbraw/zinc/37/69/46/856376946.db2.gz STLZGBIYBTVESI-AWEZNQCLSA-N -1 3 375.266 3.684 20 0 GHADHM O=S(=O)([N-]c1ccccc1Br)c1ccc(C(F)(F)F)nc1 ZINC000181194984 862793855 /nfs/dbraw/zinc/79/38/55/862793855.db2.gz AOKOCKMHUUGXSI-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM CC1CCC(C)(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000624173099 862798783 /nfs/dbraw/zinc/79/87/83/862798783.db2.gz CYTNIIVYZXUVPP-UHFFFAOYSA-N -1 3 393.484 3.653 20 0 GHADHM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472025775 856464916 /nfs/dbraw/zinc/46/49/16/856464916.db2.gz CXUPZLJGIBNSTJ-SFHVURJKSA-N -1 3 396.443 3.838 20 0 GHADHM C[C@H](NC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)c1ncc(C(=O)[O-])s1 ZINC000905720731 856492451 /nfs/dbraw/zinc/49/24/51/856492451.db2.gz SJYMRAPNJPHTQJ-LBPRGKRZSA-N -1 3 395.525 3.672 20 0 GHADHM CCC(CC)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172597702 856497004 /nfs/dbraw/zinc/49/70/04/856497004.db2.gz SFYGTKMHYXNXHY-UHFFFAOYSA-N -1 3 381.904 3.842 20 0 GHADHM O=c1[n-]cnc2c1CN(c1nc(C3CC3)nc3sc4c(c31)CCCC4)CC2 ZINC000269723078 856500706 /nfs/dbraw/zinc/50/07/06/856500706.db2.gz SVLFOAPZWHIMAB-UHFFFAOYSA-N -1 3 379.489 3.506 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043807434 856584579 /nfs/dbraw/zinc/58/45/79/856584579.db2.gz DKQMQOCSTMPDPY-NSHDSACASA-N -1 3 376.338 3.897 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043807434 856584591 /nfs/dbraw/zinc/58/45/91/856584591.db2.gz DKQMQOCSTMPDPY-NSHDSACASA-N -1 3 376.338 3.897 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)nc4n[nH]c(C)c43)c2)n1 ZINC000507945904 856729131 /nfs/dbraw/zinc/72/91/31/856729131.db2.gz VBASDXFMVWHZKD-UHFFFAOYSA-N -1 3 388.431 3.552 20 0 GHADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427780609 856730947 /nfs/dbraw/zinc/73/09/47/856730947.db2.gz NHCCFEOGUDYMGS-UHFFFAOYSA-N -1 3 389.330 3.710 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1coc2ccccc12 ZINC000482230034 862830016 /nfs/dbraw/zinc/83/00/16/862830016.db2.gz HMRHPKWWOBBSLE-UHFFFAOYSA-N -1 3 385.221 3.587 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1F ZINC000573971130 856833604 /nfs/dbraw/zinc/83/36/04/856833604.db2.gz DYXKZIDUAKECMP-UHFFFAOYSA-N -1 3 393.770 3.653 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(CC)CC)cc2)cc1 ZINC000046303361 856834029 /nfs/dbraw/zinc/83/40/29/856834029.db2.gz XFWGCPUAPLGLDX-UHFFFAOYSA-N -1 3 388.533 3.851 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(C)cc1C ZINC000046213370 856849586 /nfs/dbraw/zinc/84/95/86/856849586.db2.gz QCKUEJMUMWSVIU-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c(C)s1 ZINC000508087646 856884392 /nfs/dbraw/zinc/88/43/92/856884392.db2.gz XAEOJKCMNCPBFD-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM CCCCc1nc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c(C(=O)OCC)[n-]1 ZINC000485671529 856910660 /nfs/dbraw/zinc/91/06/60/856910660.db2.gz SSJBXYNXOHNTFZ-HUUCEWRRSA-N -1 3 379.501 3.709 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C4CC4)nn3CC)c2)n1 ZINC000906239392 856949899 /nfs/dbraw/zinc/94/98/99/856949899.db2.gz UWTKMAMGDIEQHZ-UHFFFAOYSA-N -1 3 377.448 3.758 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C2CC2)s1 ZINC000173489143 856955894 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOCc3ccccc3)c2)n1 ZINC000057496726 857212710 /nfs/dbraw/zinc/21/27/10/857212710.db2.gz MUOGTPISEVMSQA-UHFFFAOYSA-N -1 3 377.444 3.545 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[C@](C)(O)c1ccccc1 ZINC001212367554 857213916 /nfs/dbraw/zinc/21/39/16/857213916.db2.gz NJJISJDITCHJPU-DIFFPNOSSA-N -1 3 396.921 3.524 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H]1CCCCO1 ZINC000672390452 857235415 /nfs/dbraw/zinc/23/54/15/857235415.db2.gz SRGMZLWCBYNTGH-CYBMUJFWSA-N -1 3 399.406 3.598 20 0 GHADHM COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)c(Br)c1[O-] ZINC000761013845 857381511 /nfs/dbraw/zinc/38/15/11/857381511.db2.gz CAMGQIJXVZMDPP-LCYFTJDESA-N -1 3 388.217 3.816 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c([O-])c1 ZINC000059800184 857396429 /nfs/dbraw/zinc/39/64/29/857396429.db2.gz INJKEURCKCJRGU-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCO[C@H](c3cccs3)C2)s1 ZINC000907001206 857425630 /nfs/dbraw/zinc/42/56/30/857425630.db2.gz GIDLIENHUCJQJZ-NSHDSACASA-N -1 3 395.506 3.765 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)nnn1-c1ccccc1 ZINC000065085874 857425928 /nfs/dbraw/zinc/42/59/28/857425928.db2.gz NWDQAIFQNCNTLA-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c(Br)c1[O-] ZINC000761015578 857432227 /nfs/dbraw/zinc/43/22/27/857432227.db2.gz NXHXBTVBUQJCPA-XYOKQWHBSA-N -1 3 392.180 3.647 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000063442338 857618557 /nfs/dbraw/zinc/61/85/57/857618557.db2.gz LPHWZYKAYYLWBR-UHFFFAOYSA-N -1 3 375.490 3.782 20 0 GHADHM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000442216521 857631159 /nfs/dbraw/zinc/63/11/59/857631159.db2.gz HMWSOUQNYMMMKQ-UHFFFAOYSA-N -1 3 387.505 3.623 20 0 GHADHM COCCOC(=O)c1sc2[n-]c(CSC3CCCCC3)nc(=O)c2c1C ZINC000058828102 857639465 /nfs/dbraw/zinc/63/94/65/857639465.db2.gz CZCPYFJMEWGSSV-UHFFFAOYSA-N -1 3 396.534 3.662 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001168402592 857643869 /nfs/dbraw/zinc/64/38/69/857643869.db2.gz DXCFRKDNQGYALD-VQCBNXJZSA-N -1 3 387.892 3.570 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc2c(c1)OCCCO2 ZINC000442243666 857646881 /nfs/dbraw/zinc/64/68/81/857646881.db2.gz RCWXQSIZUBUNKD-UHFFFAOYSA-N -1 3 375.780 3.580 20 0 GHADHM CCOCCOCc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000624343256 857665825 /nfs/dbraw/zinc/66/58/25/857665825.db2.gz RJZKLSNTVSHRIE-UHFFFAOYSA-N -1 3 394.265 3.960 20 0 GHADHM O=C([N-]c1cc(Cl)ccc1OC[C@@H]1CCOC1)c1nnc(-c2ccco2)o1 ZINC000907539547 857676976 /nfs/dbraw/zinc/67/69/76/857676976.db2.gz IUPSURXEVCNITJ-LLVKDONJSA-N -1 3 389.795 3.651 20 0 GHADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)n1 ZINC000064490092 857716104 /nfs/dbraw/zinc/71/61/04/857716104.db2.gz KONYORFOIWITHD-HNNXBMFYSA-N -1 3 394.475 3.740 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000070730863 857734942 /nfs/dbraw/zinc/73/49/42/857734942.db2.gz VSLDNZQVVTWLQU-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000070730863 857734949 /nfs/dbraw/zinc/73/49/49/857734949.db2.gz VSLDNZQVVTWLQU-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000065833289 857811404 /nfs/dbraw/zinc/81/14/04/857811404.db2.gz JWHAFEVLFFGEKE-UHFFFAOYSA-N -1 3 390.505 3.895 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281312904 862955315 /nfs/dbraw/zinc/95/53/15/862955315.db2.gz IFEMHDCEYUSURV-VHSXEESVSA-N -1 3 391.827 3.665 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cc(F)cc(Br)c1F ZINC000486561309 857861337 /nfs/dbraw/zinc/86/13/37/857861337.db2.gz OHKSDQDVVLCYBO-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)ccc1F ZINC000486571826 857873834 /nfs/dbraw/zinc/87/38/34/857873834.db2.gz DIQANAGQAYPDNK-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(=O)Nc1ccc(-c2noc(/C=C/c3cncc([O-])c3)n2)cc1C(F)(F)F ZINC000499628116 857885648 /nfs/dbraw/zinc/88/56/48/857885648.db2.gz VJLJLSRZFPCXPM-GORDUTHDSA-N -1 3 390.321 3.985 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001271257438 862963919 /nfs/dbraw/zinc/96/39/19/862963919.db2.gz XIIGRSREHAWUGT-BETUJISGSA-N -1 3 376.806 3.677 20 0 GHADHM O=S(=O)([N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(F)cc1C(F)(F)F ZINC000486704772 858010560 /nfs/dbraw/zinc/01/05/60/858010560.db2.gz SPYQIILPSQAWFB-VBQJREDUSA-N -1 3 385.382 3.709 20 0 GHADHM CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@H]1CCOC(C)(C)C1 ZINC000908259888 858015212 /nfs/dbraw/zinc/01/52/12/858015212.db2.gz YWEYHNPWRVUQGQ-GFCCVEGCSA-N -1 3 383.514 3.910 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000574578901 858068130 /nfs/dbraw/zinc/06/81/30/858068130.db2.gz VFSBAYWMXBCXJD-QGZVFWFLSA-N -1 3 383.370 3.688 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1cnccc1C(F)(F)F ZINC000442741879 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GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000024884156 860354631 /nfs/dbraw/zinc/35/46/31/860354631.db2.gz DNMRPYWUVVBVCV-UHFFFAOYSA-N -1 3 396.468 3.889 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290496075 860402522 /nfs/dbraw/zinc/40/25/22/860402522.db2.gz DZKXRDFLSDTCNX-HSZRJFAPSA-N -1 3 379.431 3.752 20 0 GHADHM CCc1cc2c(CNC(C)(C)c3nc4ccccc4n3C)cc(=O)oc2cc1[O-] ZINC000186567226 860518770 /nfs/dbraw/zinc/51/87/70/860518770.db2.gz KOQFVQSPNKUWHO-UHFFFAOYSA-N -1 3 391.471 3.973 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000014015479 860752641 /nfs/dbraw/zinc/75/26/41/860752641.db2.gz XNWNHBZPJUYXDS-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000102625572 860795159 /nfs/dbraw/zinc/79/51/59/860795159.db2.gz DELIEGRNQBLWHR-UHFFFAOYSA-N -1 3 395.890 3.956 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000176433431 860874863 /nfs/dbraw/zinc/87/48/63/860874863.db2.gz RZKYDQBRTORUNV-HNNXBMFYSA-N -1 3 392.249 3.965 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(Br)cc2)CCC1 ZINC000102889411 860885511 /nfs/dbraw/zinc/88/55/11/860885511.db2.gz IDEJCLBIAUAEAO-UHFFFAOYSA-N -1 3 389.175 3.646 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(Br)cc2)CCC1 ZINC000102889411 860885527 /nfs/dbraw/zinc/88/55/27/860885527.db2.gz IDEJCLBIAUAEAO-UHFFFAOYSA-N -1 3 389.175 3.646 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)s1 ZINC000176536732 860931194 /nfs/dbraw/zinc/93/11/94/860931194.db2.gz RJHOSQVBMIHFIZ-JTQLQIEISA-N -1 3 392.481 3.993 20 0 GHADHM COC(=O)c1cc(-c2csc([N-]C(=O)c3cc(-c4ccccc4)no3)n2)c[nH]1 ZINC000603617192 860941496 /nfs/dbraw/zinc/94/14/96/860941496.db2.gz WMBGDWSPSAGIQK-UHFFFAOYSA-N -1 3 394.412 3.832 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1cccc(Br)c1 ZINC000730204426 860952472 /nfs/dbraw/zinc/95/24/72/860952472.db2.gz VMHQBUVKLZEEFM-UHFFFAOYSA-N -1 3 396.241 3.575 20 0 GHADHM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000329075166 860996870 /nfs/dbraw/zinc/99/68/70/860996870.db2.gz PLVCVJOMFZOKCK-BXUZGUMPSA-N -1 3 379.309 3.805 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCCC[C@H]1C ZINC000730364424 861075554 /nfs/dbraw/zinc/07/55/54/861075554.db2.gz KZZCWKBGWLRDKV-MLGOLLRUSA-N -1 3 398.297 3.737 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)c1cc(F)ccc1F ZINC000730366399 861076395 /nfs/dbraw/zinc/07/63/95/861076395.db2.gz WDOUCUGWKYJQCM-MRVPVSSYSA-N -1 3 385.160 3.861 20 0 GHADHM CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365394 861076577 /nfs/dbraw/zinc/07/65/77/861076577.db2.gz WBXSJJYEGKAGPF-UHFFFAOYSA-N -1 3 392.249 3.821 20 0 GHADHM Cc1ccccc1-c1noc(COC(=O)c2cccc(Br)c2[O-])n1 ZINC000730365484 861076640 /nfs/dbraw/zinc/07/66/40/861076640.db2.gz TVVRBRFJZYTRDH-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000623467225 861095094 /nfs/dbraw/zinc/09/50/94/861095094.db2.gz PAVWRKYKBIXSHT-UHFFFAOYSA-N -1 3 381.259 3.972 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000557043911 881619815 /nfs/dbraw/zinc/61/98/15/881619815.db2.gz AHRICKUULOUMAY-UHFFFAOYSA-N -1 3 389.238 3.682 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)n2)cc1 ZINC000733738385 863131874 /nfs/dbraw/zinc/13/18/74/863131874.db2.gz HYYSWEPQASJHST-UHFFFAOYSA-N -1 3 389.452 3.928 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000733868539 863211892 /nfs/dbraw/zinc/21/18/92/863211892.db2.gz KWGOAJICBPAGCO-UHFFFAOYSA-N -1 3 376.375 3.707 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909554114 863214022 /nfs/dbraw/zinc/21/40/22/863214022.db2.gz UUBWDONUXMNFLU-LAUBAEHRSA-N -1 3 380.488 3.670 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)c1 ZINC001299309032 863249269 /nfs/dbraw/zinc/24/92/69/863249269.db2.gz IQEQYZDNFNJAQB-CYBMUJFWSA-N -1 3 395.434 3.509 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)c1 ZINC001299309033 863249553 /nfs/dbraw/zinc/24/95/53/863249553.db2.gz IQEQYZDNFNJAQB-ZDUSSCGKSA-N -1 3 395.434 3.509 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000482581323 863340087 /nfs/dbraw/zinc/34/00/87/863340087.db2.gz LEMMALDJHAZLKP-QGZVFWFLSA-N -1 3 389.293 3.975 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(C)o1 ZINC000444220058 863695270 /nfs/dbraw/zinc/69/52/70/863695270.db2.gz ZXBMTPMXJRCIQW-ZDUSSCGKSA-N -1 3 395.374 3.802 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000606536709 863695543 /nfs/dbraw/zinc/69/55/43/863695543.db2.gz SUPFFJDLWXZNOJ-CQSZACIVSA-N -1 3 385.464 3.674 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1cc(F)ccc1Cl ZINC000103154636 863896924 /nfs/dbraw/zinc/89/69/24/863896924.db2.gz YTQWBXBSWKFFMN-UHFFFAOYSA-N -1 3 383.872 3.506 20 0 GHADHM CC(C)n1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1C1CC1 ZINC000158663956 863905900 /nfs/dbraw/zinc/90/59/00/863905900.db2.gz CZSVLYOWWWEUBG-UHFFFAOYSA-N -1 3 378.270 3.740 20 0 GHADHM C[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)Sc1ccccc1 ZINC000640294573 881711766 /nfs/dbraw/zinc/71/17/66/881711766.db2.gz FENJTJLPLJNPFW-JTQLQIEISA-N -1 3 392.834 3.823 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000896934156 864033696 /nfs/dbraw/zinc/03/36/96/864033696.db2.gz LLVVHGXPOKVVMD-NSHDSACASA-N -1 3 389.406 3.850 20 0 GHADHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(SC)ccc1[O-] ZINC000667619746 864051454 /nfs/dbraw/zinc/05/14/54/864051454.db2.gz KUXMKVYNZFIRPF-INIZCTEOSA-N -1 3 387.501 3.944 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000607169712 864131168 /nfs/dbraw/zinc/13/11/68/864131168.db2.gz LXUZPJCHNBZDPS-UONOGXRCSA-N -1 3 383.514 3.547 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000544378833 864264640 /nfs/dbraw/zinc/26/46/40/864264640.db2.gz IXSWUFRUSJFXRZ-VXGBXAGGSA-N -1 3 375.266 3.553 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(C(C)C)nc3onc(C)c32)[nH][n-]1 ZINC000621654562 864350733 /nfs/dbraw/zinc/35/07/33/864350733.db2.gz IOOFRNZDAQZNNV-UHFFFAOYSA-N -1 3 391.431 3.728 20 0 GHADHM Cc1nc2sc3c(c2c(NCc2nc(C(F)(F)F)n[n-]2)n1)CC[C@H](C)C3 ZINC000480332460 864486809 /nfs/dbraw/zinc/48/68/09/864486809.db2.gz VYLRGLUJGCDGKS-ZETCQYMHSA-N -1 3 382.415 3.874 20 0 GHADHM COc1ccc([C@H](NC(=O)N=c2cc3ccccn3[n-]2)c2ccc(F)cc2)cc1 ZINC000554534393 864492048 /nfs/dbraw/zinc/49/20/48/864492048.db2.gz LBUAPRQIJFDLQF-OAQYLSRUSA-N -1 3 390.418 3.815 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(O[C@H]2CCOC2)c1 ZINC000621911435 864573803 /nfs/dbraw/zinc/57/38/03/864573803.db2.gz BWLBCJCNWJEGFX-KRWDZBQOSA-N -1 3 395.377 3.817 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1[C@H](C)CCC[C@H]1C ZINC000735083592 864611467 /nfs/dbraw/zinc/61/14/67/864611467.db2.gz VOIPBBPKUSCCLS-NXEZZACHSA-N -1 3 394.306 3.700 20 0 GHADHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000607685117 864639853 /nfs/dbraw/zinc/63/98/53/864639853.db2.gz MHECCVDTLFYNOY-DYVFJYSZSA-N -1 3 397.272 3.652 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000621975849 864646301 /nfs/dbraw/zinc/64/63/01/864646301.db2.gz WKOVZEREZOSXLS-UHFFFAOYSA-N -1 3 393.405 3.868 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c(Br)c1 ZINC000554734926 864803271 /nfs/dbraw/zinc/80/32/71/864803271.db2.gz SAZQEGMAAVGKPR-UHFFFAOYSA-N -1 3 399.310 3.852 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000622165001 864818753 /nfs/dbraw/zinc/81/87/53/864818753.db2.gz LLQCEGTZNDCAPB-MAUKXSAKSA-N -1 3 379.378 3.649 20 0 GHADHM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000735657871 864911775 /nfs/dbraw/zinc/91/17/75/864911775.db2.gz OCXRZPGIRNYCTC-HXUWFJFHSA-N -1 3 385.423 3.886 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C(C)C)cc2)ccc1F ZINC000763745662 865102036 /nfs/dbraw/zinc/10/20/36/865102036.db2.gz JATUEINWGRLTKJ-UHFFFAOYSA-N -1 3 392.496 3.912 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000736064579 865119552 /nfs/dbraw/zinc/11/95/52/865119552.db2.gz MSYUMUNNKSSRTD-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533971542 865134966 /nfs/dbraw/zinc/13/49/66/865134966.db2.gz KNRFTJHILKGHTQ-SNVBAGLBSA-N -1 3 382.844 3.884 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223583 865155176 /nfs/dbraw/zinc/15/51/76/865155176.db2.gz OLNIFCCEXHWGKH-YJBOKZPZSA-N -1 3 384.896 3.537 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223583 865155184 /nfs/dbraw/zinc/15/51/84/865155184.db2.gz OLNIFCCEXHWGKH-YJBOKZPZSA-N -1 3 384.896 3.537 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000622739459 865190859 /nfs/dbraw/zinc/19/08/59/865190859.db2.gz KTQYBDIZLWQAAU-UHFFFAOYSA-N -1 3 382.489 3.511 20 0 GHADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1nnc2ccccc2c1[O-] ZINC000736566706 865239920 /nfs/dbraw/zinc/23/99/20/865239920.db2.gz DCNAJKMDAMCAHW-UHFFFAOYSA-N -1 3 386.411 3.604 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(CC4CC4)no3)ccc2C)cc1 ZINC000608347557 865244736 /nfs/dbraw/zinc/24/47/36/865244736.db2.gz LEPDEKXEFUZJCP-UHFFFAOYSA-N -1 3 399.472 3.807 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000608359905 865257173 /nfs/dbraw/zinc/25/71/73/865257173.db2.gz WSIVWTBVIBLGNG-JKSUJKDBSA-N -1 3 395.846 3.665 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000736633818 865262068 /nfs/dbraw/zinc/26/20/68/865262068.db2.gz FNNGIFKWOYNVHP-OAHLLOKOSA-N -1 3 377.448 3.714 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000736633818 865262084 /nfs/dbraw/zinc/26/20/84/865262084.db2.gz FNNGIFKWOYNVHP-OAHLLOKOSA-N -1 3 377.448 3.714 20 0 GHADHM COc1ccc([C@H](N/C=C2/C(=O)[N-]C(=O)c3ccccc32)c2ccc(C)cc2)cc1 ZINC000920178174 881853640 /nfs/dbraw/zinc/85/36/40/881853640.db2.gz PIOMLEMDSOZOGG-VKIDYWOHSA-N 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Cc1ocnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000121719037 882237081 /nfs/dbraw/zinc/23/70/81/882237081.db2.gz SOURMMQIZXQIJN-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM COC(=O)c1nsc([N-]C(=O)c2sc(C)cc2OCc2ccccc2)n1 ZINC001272289840 868912962 /nfs/dbraw/zinc/91/29/62/868912962.db2.gz LWSOVYFFNQWLJW-UHFFFAOYSA-N -1 3 389.458 3.526 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457922323 868979444 /nfs/dbraw/zinc/97/94/44/868979444.db2.gz KBGBSQJPXLFVEZ-CQSZACIVSA-N -1 3 377.790 3.867 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(C)c1OCc1cccnc1 ZINC000121761174 882251088 /nfs/dbraw/zinc/25/10/88/882251088.db2.gz LYGFCWUREXKCSU-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3csc(C)n3)cc2)s1 ZINC000546597988 869140426 /nfs/dbraw/zinc/14/04/26/869140426.db2.gz ICPRDNKMEOPCSG-UHFFFAOYSA-N -1 3 379.532 3.616 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)n1 ZINC000428785468 869192233 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Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3F)s1 ZINC000462511900 869606046 /nfs/dbraw/zinc/60/60/46/869606046.db2.gz IHZGFIUYKNQCRE-CYBMUJFWSA-N -1 3 390.299 3.924 20 0 GHADHM Cc1ccc(C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c([O-])c1 ZINC000367306618 869609503 /nfs/dbraw/zinc/60/95/03/869609503.db2.gz YZIJTFKEYQHDGN-UHFFFAOYSA-N -1 3 395.377 3.723 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000462550716 869660848 /nfs/dbraw/zinc/66/08/48/869660848.db2.gz IPJYWUKZXJOMGP-UGSOOPFHSA-N -1 3 385.407 3.550 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccc(Cl)cc1 ZINC000462581091 869710386 /nfs/dbraw/zinc/71/03/86/869710386.db2.gz ZSRAXNVKCGTWCR-VIFPVBQESA-N -1 3 379.787 3.503 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2csc(-c3ccc(C)o3)n2)cc1[O-] ZINC000745650876 869719738 /nfs/dbraw/zinc/71/97/38/869719738.db2.gz NBASNRRTZMRPBI-UHFFFAOYSA-N -1 3 388.401 3.952 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(SC)c(OC)c2)cc1[O-] ZINC000745653572 869722141 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O=S(=O)([N-]CC(C1CC1)C1CC1)c1cc(Br)ccc1Cl ZINC000525188032 870132645 /nfs/dbraw/zinc/13/26/45/870132645.db2.gz SQCKBUOCYBBSTB-UHFFFAOYSA-N -1 3 378.719 3.817 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1OC ZINC000525220458 870189972 /nfs/dbraw/zinc/18/99/72/870189972.db2.gz QPLVNASNKSTGDN-SOUVJXGZSA-N -1 3 395.525 3.547 20 0 GHADHM CSc1nnc([N-]C(=O)c2cccc(OCc3ccccc3)n2)c(SC)n1 ZINC001192340412 870301199 /nfs/dbraw/zinc/30/11/99/870301199.db2.gz CYPNXBQYRODNFY-UHFFFAOYSA-N -1 3 399.501 3.542 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423088 870422546 /nfs/dbraw/zinc/42/25/46/870422546.db2.gz UCAANLXCAZITAA-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248494638 870461452 /nfs/dbraw/zinc/46/14/52/870461452.db2.gz KOPQALJUPQWOEU-XLWVJDPXSA-N -1 3 383.448 3.592 20 0 GHADHM COc1ccc(C2(CNC(=O)c3cc(SC)ccc3[O-])CCOCC2)cc1 ZINC000667129451 870513974 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GHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000446955836 870764924 /nfs/dbraw/zinc/76/49/24/870764924.db2.gz DVEWKIJYNMWQCJ-BJOHPYRUSA-N -1 3 386.395 3.661 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c32)c([O-])c1 ZINC000538870958 870797083 /nfs/dbraw/zinc/79/70/83/870797083.db2.gz HCGWRKLLNFFOOH-UHFFFAOYSA-N -1 3 383.404 3.789 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCC(F)CC1 ZINC001193039756 870833650 /nfs/dbraw/zinc/83/36/50/870833650.db2.gz CMQNUHKRIRHSNL-WHXUTIOJSA-N -1 3 387.370 3.919 20 0 GHADHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)on1 ZINC001193022213 870851663 /nfs/dbraw/zinc/85/16/63/870851663.db2.gz CZHXXQUFFDVVAQ-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM COc1cccc2[nH]cc(CC(=O)[N-]OCc3ccc(C(F)(F)F)cc3)c21 ZINC000181350980 870900701 /nfs/dbraw/zinc/90/07/01/870900701.db2.gz HXWMSURAVDVWIQ-UHFFFAOYSA-N -1 3 378.350 3.986 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)NCc3nnc(-c4ccccc4[O-])o3)n2)cc1 ZINC001193164898 870930756 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GHADHM Cn1cc([C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C(F)(F)F)cn1 ZINC000447267705 871286799 /nfs/dbraw/zinc/28/67/99/871286799.db2.gz QPTSARBZWMQZQR-QGZVFWFLSA-N -1 3 391.349 3.951 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193746277 871287846 /nfs/dbraw/zinc/28/78/46/871287846.db2.gz SHSHMUNUEPKSHF-UHFFFAOYSA-N -1 3 375.350 3.869 20 0 GHADHM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC001193939782 871381721 /nfs/dbraw/zinc/38/17/21/871381721.db2.gz UVFZSHBSRYVXOM-UHFFFAOYSA-N -1 3 398.750 3.711 20 0 GHADHM CN(CCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000747162326 882517681 /nfs/dbraw/zinc/51/76/81/882517681.db2.gz REHSFUUNZTWKOC-UHFFFAOYSA-N -1 3 390.402 3.900 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccccc1OCC1CC1)c2=O ZINC000540531002 871503097 /nfs/dbraw/zinc/50/30/97/871503097.db2.gz ZGZHOQKKSBJKKL-UHFFFAOYSA-N -1 3 382.391 3.717 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC001194283185 871624276 /nfs/dbraw/zinc/62/42/76/871624276.db2.gz OCKOZWDZFHGPLJ-LBPRGKRZSA-N -1 3 394.509 3.503 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1 ZINC001194372060 871642443 /nfs/dbraw/zinc/64/24/43/871642443.db2.gz KZUGDDAKZPZEBK-UHFFFAOYSA-N -1 3 382.800 3.542 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1cccc3c(Cl)cccc31)C(=O)N2 ZINC001194431141 871712169 /nfs/dbraw/zinc/71/21/69/871712169.db2.gz CCFCYYOGWAHOGK-SFHVURJKSA-N -1 3 386.860 3.773 20 0 GHADHM COC(=O)c1cc(Br)cc(NC(=O)Oc2ccc(OC)cc2)c1[O-] ZINC001194533290 871773218 /nfs/dbraw/zinc/77/32/18/871773218.db2.gz WDEDGMBSEVWXJV-UHFFFAOYSA-N -1 3 396.193 3.561 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000539386111 871877849 /nfs/dbraw/zinc/87/78/49/871877849.db2.gz BDIMPXQYSOGDFZ-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc2ccccc2c1F ZINC001194680323 871886427 /nfs/dbraw/zinc/88/64/27/871886427.db2.gz ATEWEZMHMJCQKK-HNAYVOBHSA-N -1 3 375.396 3.729 20 0 GHADHM O=C(Nc1c(Br)ncc2ccccc21)c1cnc(C(F)(F)F)[n-]1 ZINC001194770939 871952071 /nfs/dbraw/zinc/95/20/71/871952071.db2.gz USTWUKZSBNOGAT-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(CC)cc(=O)c3c2)cc1 ZINC000540698508 871972800 /nfs/dbraw/zinc/97/28/00/871972800.db2.gz PEKOBPAITVFPFJ-UHFFFAOYSA-N -1 3 386.473 3.680 20 0 GHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)ccc2[nH]1 ZINC000540698949 871978701 /nfs/dbraw/zinc/97/87/01/871978701.db2.gz ZSJBHCCCZKLICD-UHFFFAOYSA-N -1 3 386.473 3.517 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000552100072 872059088 /nfs/dbraw/zinc/05/90/88/872059088.db2.gz YNYDERRLJDOVKP-YPMHNXCESA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-]CCC1(c2ccccc2)CC1)c1ccc(Br)s1 ZINC001195014433 872073509 /nfs/dbraw/zinc/07/35/09/872073509.db2.gz OFZBCTJANYLGDK-UHFFFAOYSA-N -1 3 386.336 3.911 20 0 GHADHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)C1(F)F ZINC001213211419 882576301 /nfs/dbraw/zinc/57/63/01/882576301.db2.gz MKYIQTJMRRTXOP-SNVBAGLBSA-N -1 3 388.661 3.672 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3(CC)CCCCC3)c2)[n-]1 ZINC000447683819 872096121 /nfs/dbraw/zinc/09/61/21/872096121.db2.gz UJABHICBJGZLBG-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3(CC)CCCCC3)c2)n[n-]1 ZINC000447683819 872096140 /nfs/dbraw/zinc/09/61/40/872096140.db2.gz UJABHICBJGZLBG-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000619028908 872244473 /nfs/dbraw/zinc/24/44/73/872244473.db2.gz MATCREGGOVNSHY-UWVGGRQHSA-N -1 3 398.303 3.554 20 0 GHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCCCCC1 ZINC001195207448 872256131 /nfs/dbraw/zinc/25/61/31/872256131.db2.gz JRVHTEWHCPGYJC-ZDUSSCGKSA-N -1 3 391.892 3.517 20 0 GHADHM COc1ccccc1OC(=O)Nc1ccc([O-])c(I)c1 ZINC001195261376 872290483 /nfs/dbraw/zinc/29/04/83/872290483.db2.gz GVOHJLJKPBWDDU-UHFFFAOYSA-N -1 3 385.157 3.616 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCCC[C@@H]3C[C@@H](C)O)cc2)cc(=O)[n-]1 ZINC000552241047 872291691 /nfs/dbraw/zinc/29/16/91/872291691.db2.gz ONJJOBCFMKYJJY-RDTXWAMCSA-N -1 3 384.480 3.705 20 0 GHADHM CCc1ccc(CCN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cc1 ZINC001195300319 872321786 /nfs/dbraw/zinc/32/17/86/872321786.db2.gz STUFTHOVEYJSDU-GOSISDBHSA-N -1 3 376.422 3.901 20 0 GHADHM COC(=O)[C@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000526934801 872332503 /nfs/dbraw/zinc/33/25/03/872332503.db2.gz HMQOYNLILPLATQ-JOCHJYFZSA-N -1 3 381.403 3.545 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959592 872359794 /nfs/dbraw/zinc/35/97/94/872359794.db2.gz JDJDDNXDAXIIAI-CQSZACIVSA-N -1 3 386.304 3.862 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2CCOCC2)sc1Br ZINC001195428206 872415362 /nfs/dbraw/zinc/41/53/62/872415362.db2.gz UKCXAMVJELCSPC-UHFFFAOYSA-N -1 3 396.372 3.550 20 0 GHADHM CSCCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000794192609 882617515 /nfs/dbraw/zinc/61/75/15/882617515.db2.gz PHTUJJJOOCEPQF-UHFFFAOYSA-N -1 3 385.464 3.632 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(-c3ccc(C)n3C)n2)c1F ZINC000478070926 872437611 /nfs/dbraw/zinc/43/76/11/872437611.db2.gz ZMAXCDQWCLESQD-UHFFFAOYSA-N -1 3 391.399 3.774 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1F)c1cc(Br)ccc1F ZINC001195496110 872446988 /nfs/dbraw/zinc/44/69/88/872446988.db2.gz JAEVANRWVQWFSP-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COc1csc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000175766399 882624866 /nfs/dbraw/zinc/62/48/66/882624866.db2.gz SYGBICYJEBGYPY-UHFFFAOYSA-N -1 3 394.880 3.607 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000552388495 872551139 /nfs/dbraw/zinc/55/11/39/872551139.db2.gz DUPSUMNLUWIYFD-UHFFFAOYSA-N -1 3 382.204 3.781 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1OC(C)C ZINC000463796934 872579813 /nfs/dbraw/zinc/57/98/13/872579813.db2.gz FXRSDYFLPUAUDD-CYBMUJFWSA-N -1 3 377.462 3.607 20 0 GHADHM CCc1ccccc1OCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000552387575 872587311 /nfs/dbraw/zinc/58/73/11/872587311.db2.gz PCFLVXVGECEDPH-UHFFFAOYSA-N -1 3 378.266 3.802 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)[n-]1 ZINC000619446861 872635307 /nfs/dbraw/zinc/63/53/07/872635307.db2.gz BCMNQCJUSRDCDH-UHFFFAOYSA-N -1 3 384.823 3.918 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)c[n-]1 ZINC000619446861 872635322 /nfs/dbraw/zinc/63/53/22/872635322.db2.gz BCMNQCJUSRDCDH-UHFFFAOYSA-N -1 3 384.823 3.918 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001195787121 872660201 /nfs/dbraw/zinc/66/02/01/872660201.db2.gz UFLAGUUOBANBJI-UHFFFAOYSA-N -1 3 385.407 3.979 20 0 GHADHM O=S(=O)(NCc1csc(-c2cccc(Cl)c2)n1)c1ccc([O-])cc1 ZINC001195836009 872703671 /nfs/dbraw/zinc/70/36/71/872703671.db2.gz SKPIDYZTPGEFCN-UHFFFAOYSA-N -1 3 380.878 3.648 20 0 GHADHM COC(=O)c1cccc(NC(=S)Nc2ccc([O-])c(Br)c2)c1 ZINC001195841337 872709897 /nfs/dbraw/zinc/70/98/97/872709897.db2.gz DBOCZGUZXJIALO-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM COc1ccc([C@H](C)[C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182731669 872712088 /nfs/dbraw/zinc/71/20/88/872712088.db2.gz XXLQCYGGOAHJOR-KGLIPLIRSA-N -1 3 378.494 3.679 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)[nH][n-]1 ZINC000541025610 872745923 /nfs/dbraw/zinc/74/59/23/872745923.db2.gz ZFPXECPPPDGJGK-FZKQIMNGSA-N -1 3 391.899 3.940 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000527189984 872794047 /nfs/dbraw/zinc/79/40/47/872794047.db2.gz BBOXLVAYBYUQRM-UHFFFAOYSA-N -1 3 378.469 3.887 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000122668122 882658973 /nfs/dbraw/zinc/65/89/73/882658973.db2.gz WNXLJWSWLBQGAM-UHFFFAOYSA-N -1 3 392.868 3.756 20 0 GHADHM COC(=O)CCSc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000541080298 872916278 /nfs/dbraw/zinc/91/62/78/872916278.db2.gz WPILZNJRBPWNQO-UHFFFAOYSA-N -1 3 376.384 3.936 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OCc1ccccc1)c1ccc(Cl)cn1 ZINC001196197736 872940667 /nfs/dbraw/zinc/94/06/67/872940667.db2.gz SZJZOJDVLMEXNK-IAGOWNOFSA-N -1 3 380.897 3.541 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](OCc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001196272645 873010207 /nfs/dbraw/zinc/01/02/07/873010207.db2.gz JAFPSIWNCDUEEE-CALCHBBNSA-N -1 3 380.897 3.541 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Br)[N-]c1nc2ccccc2[nH]1 ZINC000768013869 873025254 /nfs/dbraw/zinc/02/52/54/873025254.db2.gz YRVUPTREAWWGBM-KTKRTIGZSA-N -1 3 378.251 3.738 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196380334 873062806 /nfs/dbraw/zinc/06/28/06/873062806.db2.gz MZJODVSBJCTVHM-UHFFFAOYSA-N -1 3 392.496 3.582 20 0 GHADHM Cc1c(C)c(NC(=O)c2cc([O-])cc(I)c2)ccc1O ZINC001196417748 873101540 /nfs/dbraw/zinc/10/15/40/873101540.db2.gz QHBRDOVSQXIWHT-UHFFFAOYSA-N -1 3 383.185 3.572 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC001196454850 873139806 /nfs/dbraw/zinc/13/98/06/873139806.db2.gz STOLGUKUNWTGPX-UHFFFAOYSA-N -1 3 378.450 3.843 20 0 GHADHM CC1(C)CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000527486855 873157659 /nfs/dbraw/zinc/15/76/59/873157659.db2.gz ZEICXAYQSKIFNK-GFCCVEGCSA-N -1 3 377.282 3.989 20 0 GHADHM COc1cc(C(=O)[N-]c2ncc(Cc3cccc(Br)c3)s2)on1 ZINC000153111089 873205392 /nfs/dbraw/zinc/20/53/92/873205392.db2.gz URSLHCXDJZPPBZ-UHFFFAOYSA-N -1 3 394.250 3.745 20 0 GHADHM Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000768294887 873215287 /nfs/dbraw/zinc/21/52/87/873215287.db2.gz HMWNXPGNHRSTOL-UHFFFAOYSA-N -1 3 378.053 3.730 20 0 GHADHM Cc1cc(Cl)c(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1C ZINC000183082212 873220308 /nfs/dbraw/zinc/22/03/08/873220308.db2.gz LTPSWDJYPGUHRV-OAQYLSRUSA-N -1 3 399.878 3.545 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C(F)(F)F ZINC000262919919 882704776 /nfs/dbraw/zinc/70/47/76/882704776.db2.gz GVHPRNGKLRBMQM-HUUCEWRRSA-N -1 3 389.377 3.696 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000448376401 873288001 /nfs/dbraw/zinc/28/80/01/873288001.db2.gz PFDOMPOILHNAHN-MRXNPFEDSA-N -1 3 390.399 3.638 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cccc(Br)c1F ZINC000541283785 873306841 /nfs/dbraw/zinc/30/68/41/873306841.db2.gz QIKOCZCAZPMBEP-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2Cl)c1 ZINC001196718707 873319173 /nfs/dbraw/zinc/31/91/73/873319173.db2.gz GBROQBUNBBGTLN-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000541309175 873333942 /nfs/dbraw/zinc/33/39/42/873333942.db2.gz XJVFRNGBFPUOOW-LLVKDONJSA-N -1 3 388.942 3.539 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Br ZINC000448444292 873393900 /nfs/dbraw/zinc/39/39/00/873393900.db2.gz CTAHRTKFRCEENL-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM CN1CCO[C@@H]([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)C1 ZINC000494629227 882717763 /nfs/dbraw/zinc/71/77/63/882717763.db2.gz BZZILKWBXGUJEK-QZTJIDSGSA-N -1 3 395.286 3.501 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cc(Cl)cc2cccnc21 ZINC001196892045 873431542 /nfs/dbraw/zinc/43/15/42/873431542.db2.gz MCTOPHMKJWPHEG-UHFFFAOYSA-N -1 3 379.811 3.636 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cc(Cl)cc2cccnc21 ZINC001196892045 873431555 /nfs/dbraw/zinc/43/15/55/873431555.db2.gz MCTOPHMKJWPHEG-UHFFFAOYSA-N -1 3 379.811 3.636 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001196949689 873494313 /nfs/dbraw/zinc/49/43/13/873494313.db2.gz ADSDTTPAXVMJBV-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001196949689 873494316 /nfs/dbraw/zinc/49/43/16/873494316.db2.gz ADSDTTPAXVMJBV-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM COC(=O)CCCCS(=O)(=O)[N-]c1c(F)cccc1OC1CCCCC1 ZINC001196959195 873498982 /nfs/dbraw/zinc/49/89/82/873498982.db2.gz RREUZANVTIUGGS-UHFFFAOYSA-N -1 3 387.473 3.622 20 0 GHADHM CCOc1cc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000448680197 873748179 /nfs/dbraw/zinc/74/81/79/873748179.db2.gz HBNPCWUFSPRMDQ-UHFFFAOYSA-N -1 3 383.366 3.733 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC001197376344 873784262 /nfs/dbraw/zinc/78/42/62/873784262.db2.gz DVPGDAGJHDHBEP-UHFFFAOYSA-N -1 3 377.462 3.592 20 0 GHADHM Cc1cccc(NC(=O)OC(C)(C)C)c1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197465675 873821582 /nfs/dbraw/zinc/82/15/82/873821582.db2.gz VJYVLFLTUUXCCN-UHFFFAOYSA-N -1 3 377.466 3.679 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1cnc(OCC2CC2)nc1 ZINC001197508111 873844464 /nfs/dbraw/zinc/84/44/64/873844464.db2.gz KHJHCNMKXAVRRS-UHFFFAOYSA-N -1 3 388.276 3.514 20 0 GHADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448775446 873951289 /nfs/dbraw/zinc/95/12/89/873951289.db2.gz ROYFFJWNKXZEHD-LBPRGKRZSA-N -1 3 380.257 3.974 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)s1 ZINC000448855006 874050177 /nfs/dbraw/zinc/05/01/77/874050177.db2.gz CGLRDUSVIOJYRL-UHFFFAOYSA-N -1 3 380.491 3.733 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC001197897172 874095595 /nfs/dbraw/zinc/09/55/95/874095595.db2.gz RUEGHFOKSHRIMD-UHFFFAOYSA-N -1 3 386.832 3.637 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)[C@H](C)C3CC3)c2)c1 ZINC000769688031 874210481 /nfs/dbraw/zinc/21/04/81/874210481.db2.gz CDLMHZPABXFVOJ-CYBMUJFWSA-N -1 3 398.459 3.532 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448948381 874241001 /nfs/dbraw/zinc/24/10/01/874241001.db2.gz CSSUFNWSVRLXLT-UHFFFAOYSA-N -1 3 378.831 3.846 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000769740072 874275951 /nfs/dbraw/zinc/27/59/51/874275951.db2.gz AHGHHTWCIOCQOO-WMLDXEAASA-N -1 3 376.497 3.863 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000769741299 874276976 /nfs/dbraw/zinc/27/69/76/874276976.db2.gz JGQJYPJSQYUNRP-WMLDXEAASA-N -1 3 376.497 3.863 20 0 GHADHM O=S(=O)([N-]Cc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)n1 ZINC001198245910 874308213 /nfs/dbraw/zinc/30/82/13/874308213.db2.gz PXMNEFWAVGZLIM-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CSc4ccccc43)c2)n1 ZINC000118211701 874436141 /nfs/dbraw/zinc/43/61/41/874436141.db2.gz FLLSOYSJAWWXPG-QGZVFWFLSA-N -1 3 377.469 3.827 20 0 GHADHM CCc1nc(N)sc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000775867080 874470006 /nfs/dbraw/zinc/47/00/06/874470006.db2.gz GCODNZUBFITAFD-SSDOTTSWSA-N -1 3 378.479 3.533 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000528448769 874566289 /nfs/dbraw/zinc/56/62/89/874566289.db2.gz CMFHIFMAZMFZLQ-AWEZNQCLSA-N -1 3 395.834 3.571 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC1CC1)c1ccc(F)cc1 ZINC001198729287 874585117 /nfs/dbraw/zinc/58/51/17/874585117.db2.gz WOFMXSAVWMPDNY-AWEZNQCLSA-N -1 3 384.860 3.702 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1cc(F)ccc1Br ZINC000528500569 874638389 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CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001201232468 875567793 /nfs/dbraw/zinc/56/77/93/875567793.db2.gz XPQYDQFSLVNTOZ-UHFFFAOYSA-N -1 3 377.491 3.822 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)cc1 ZINC001201615965 875791744 /nfs/dbraw/zinc/79/17/44/875791744.db2.gz DDSMPYGFVLAOCO-UHFFFAOYSA-N -1 3 383.429 3.633 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000772383995 875933418 /nfs/dbraw/zinc/93/34/18/875933418.db2.gz LUDWGCHCEHJFQQ-UHFFFAOYSA-N -1 3 375.406 3.691 20 0 GHADHM O=C(Nc1ccc([O-])c(I)c1)Nc1ccc(F)cc1F ZINC001202020534 875966347 /nfs/dbraw/zinc/96/63/47/875966347.db2.gz ROLIBVGWDVMWQD-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-]Cc1nc(C(F)F)no1 ZINC000867427659 875993710 /nfs/dbraw/zinc/99/37/10/875993710.db2.gz UFVWUDVOSLTZJK-UHFFFAOYSA-N -1 3 385.436 3.675 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000179499511 883003034 /nfs/dbraw/zinc/00/30/34/883003034.db2.gz 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CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786142004 876471956 /nfs/dbraw/zinc/47/19/56/876471956.db2.gz RPROUNVYXDDYPC-LBPRGKRZSA-N -1 3 383.425 3.994 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000173590980 876497032 /nfs/dbraw/zinc/49/70/32/876497032.db2.gz REQIKHAGUDQCHW-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)c2)n1 ZINC000192850169 883034922 /nfs/dbraw/zinc/03/49/22/883034922.db2.gz SPSXEVFBRLNLRA-UHFFFAOYSA-N -1 3 389.415 3.543 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000450530230 876576796 /nfs/dbraw/zinc/57/67/96/876576796.db2.gz YKRURVWIIMVQFL-QGZVFWFLSA-N -1 3 383.341 3.693 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000173813578 876658870 /nfs/dbraw/zinc/65/88/70/876658870.db2.gz FQCAXNMUUSPAEJ-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176432971 876814926 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3.743 20 0 GHADHM CS[C@@H](C)CCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551434388 877182723 /nfs/dbraw/zinc/18/27/23/877182723.db2.gz OCGBVEBWWICQFH-VIFPVBQESA-N -1 3 394.298 3.968 20 0 GHADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cc(Cl)ccc1F ZINC000551446002 877213032 /nfs/dbraw/zinc/21/30/32/877213032.db2.gz VRUIPAFNACZAHV-CQSZACIVSA-N -1 3 388.917 3.656 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1)c1ccc(C)o1 ZINC000746671928 877321642 /nfs/dbraw/zinc/32/16/42/877321642.db2.gz NGXHAQNBVMMLJH-GFCCVEGCSA-N -1 3 386.882 3.517 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(F)cc1F ZINC000477295171 877386725 /nfs/dbraw/zinc/38/67/25/877386725.db2.gz DAGZSPHKVMKBFR-HNNXBMFYSA-N -1 3 389.370 3.922 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)c(OC)c1 ZINC000007740183 877425047 /nfs/dbraw/zinc/42/50/47/877425047.db2.gz XPHLTWFXEZZAJB-IBGZPJMESA-N -1 3 381.428 3.853 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000451151867 877465405 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COC(=O)c1ccc(F)c([N-]C(=O)c2c(F)ccc(Br)c2F)c1 ZINC000492814345 877611552 /nfs/dbraw/zinc/61/15/52/877611552.db2.gz ANIKIMAFPNRMMC-UHFFFAOYSA-N -1 3 388.139 3.905 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H]1c1cccc(Br)c1 ZINC000109954614 877631054 /nfs/dbraw/zinc/63/10/54/877631054.db2.gz SNPJQCJBNMYTOQ-MRXNPFEDSA-N -1 3 398.260 3.663 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787847540 877665766 /nfs/dbraw/zinc/66/57/66/877665766.db2.gz HCBDJBZDUJGJSP-AWEZNQCLSA-N -1 3 387.407 3.627 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848983 877669942 /nfs/dbraw/zinc/66/99/42/877669942.db2.gz RUSJGDWSFLUELY-INIZCTEOSA-N -1 3 387.451 3.753 20 0 GHADHM C[C@@H](CO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21)NC(=O)OC(C)(C)C ZINC000787910090 877709216 /nfs/dbraw/zinc/70/92/16/877709216.db2.gz HYQJQRZBJJHWAL-KBPBESRZSA-N -1 3 375.469 3.623 20 0 GHADHM Cc1ccncc1S(=O)(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000451382868 877879844 /nfs/dbraw/zinc/87/98/44/877879844.db2.gz IYRZFADAGFPENM-CYBMUJFWSA-N -1 3 396.337 3.573 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ncc[nH]1 ZINC000451546818 878117354 /nfs/dbraw/zinc/11/73/54/878117354.db2.gz JXJNEGPZQYNFOH-VIFPVBQESA-N -1 3 398.735 3.563 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1(CO)CC=CC1 ZINC001212274802 878146557 /nfs/dbraw/zinc/14/65/57/878146557.db2.gz SDBDHZFVZAOSRG-HNNXBMFYSA-N -1 3 378.321 3.625 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3c(C)[n-]c(=O)nc3SC)n2)cc1 ZINC000176261439 878171229 /nfs/dbraw/zinc/17/12/29/878171229.db2.gz MZROOSBLSFDQGX-UHFFFAOYSA-N -1 3 386.502 3.738 20 0 GHADHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000537742929 878233813 /nfs/dbraw/zinc/23/38/13/878233813.db2.gz KDAUCANLGBUATI-NEPJUHHUSA-N -1 3 386.926 3.557 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)[C@H](C)c3ccc(C)cc3)c2)n1 ZINC000493071361 878287928 /nfs/dbraw/zinc/28/79/28/878287928.db2.gz MIRWKNUZIOTNBB-VFNWGFHPSA-N -1 3 391.471 3.823 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000615953347 878332909 /nfs/dbraw/zinc/33/29/09/878332909.db2.gz SSIDKWQWCRSWBS-KRWDZBQOSA-N -1 3 375.472 3.535 20 0 GHADHM Cc1nc(C)c(CC(=O)OC(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000068345738 878384435 /nfs/dbraw/zinc/38/44/35/878384435.db2.gz DNPQVZDVAPMHMC-UHFFFAOYSA-N -1 3 384.382 3.540 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(Cl)c1F ZINC000616019767 878395042 /nfs/dbraw/zinc/39/50/42/878395042.db2.gz AYMITTHOTMDVJG-SFHVURJKSA-N -1 3 397.855 3.680 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000451782523 878470203 /nfs/dbraw/zinc/47/02/03/878470203.db2.gz QVROXSMRSXMICB-HNNXBMFYSA-N -1 3 378.897 3.931 20 0 GHADHM C[C@@H](c1cccnc1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852673995 878511895 /nfs/dbraw/zinc/51/18/95/878511895.db2.gz SAUFIXKBSBXRMV-BMGDILEWSA-N -1 3 377.410 3.679 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)sc1Br ZINC000530956552 878840792 /nfs/dbraw/zinc/84/07/92/878840792.db2.gz YQHQDOSGCMAOHK-JTQLQIEISA-N -1 3 392.344 3.636 20 0 GHADHM CC(C)Cc1nnc(NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000152663526 878946641 /nfs/dbraw/zinc/94/66/41/878946641.db2.gz JSZAQBCKXLPPNC-UHFFFAOYSA-N -1 3 385.287 3.526 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(O[C@H]4CCOC4)cc3)c2)n1 ZINC000789434471 878971085 /nfs/dbraw/zinc/97/10/85/878971085.db2.gz NLACRUBSENZPHP-IBGZPJMESA-N -1 3 392.411 3.545 20 0 GHADHM O=S(=O)([N-]CC1CCSCC1)c1c(Cl)cccc1Br ZINC000311641596 879078381 /nfs/dbraw/zinc/07/83/81/879078381.db2.gz PYUIGAVOZDQBEC-UHFFFAOYSA-N -1 3 384.748 3.524 20 0 GHADHM CCOC[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180621735 879087136 /nfs/dbraw/zinc/08/71/36/879087136.db2.gz NFTGTLAWJXPDDY-JTQLQIEISA-N -1 3 393.119 3.776 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000616826400 879133073 /nfs/dbraw/zinc/13/30/73/879133073.db2.gz NCCNYFOMZNBIMS-CPUCHLNUSA-N -1 3 394.500 3.981 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c(Br)c1 ZINC000461138834 879238182 /nfs/dbraw/zinc/23/81/82/879238182.db2.gz GPWRTMIOVZLYDR-UHFFFAOYSA-N -1 3 398.278 3.638 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000789759805 879239855 /nfs/dbraw/zinc/23/98/55/879239855.db2.gz WIWFDFWIXUFZRT-AWEZNQCLSA-N -1 3 382.460 3.581 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)c1 ZINC001212289394 879373681 /nfs/dbraw/zinc/37/36/81/879373681.db2.gz YVYDYCHNAONUSP-LJQANCHMSA-N -1 3 397.512 3.948 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000667071851 879415783 /nfs/dbraw/zinc/41/57/83/879415783.db2.gz MCRNLYZHEOXVFL-UHFFFAOYSA-N -1 3 385.489 3.540 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cccc(Br)c1Cl ZINC000790138704 879478901 /nfs/dbraw/zinc/47/89/01/879478901.db2.gz IFVOWAUPFVQPCN-LURJTMIESA-N -1 3 393.517 3.575 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3n3cccn3)cc2)cc(=O)[n-]1 ZINC000531284101 879474967 /nfs/dbraw/zinc/47/49/67/879474967.db2.gz WZGXCELEAHYPSU-IEBWSBKVSA-N -1 3 392.463 3.660 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2Oc2cccc(C)c2)cc(OC)c1[O-] ZINC000493540025 879526686 /nfs/dbraw/zinc/52/66/86/879526686.db2.gz QJTDENMGVDPFHM-ZWKOTPCHSA-N -1 3 385.460 3.838 20 0 GHADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790228211 879559752 /nfs/dbraw/zinc/55/97/52/879559752.db2.gz LWKFLXIZFQRFRB-RKDXNWHRSA-N -1 3 384.748 3.665 20 0 GHADHM COC(=O)c1ccc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000746922398 879816261 /nfs/dbraw/zinc/81/62/61/879816261.db2.gz RVNIFHHDXCZFOJ-UHFFFAOYSA-N -1 3 381.350 3.673 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)C1)C(F)(F)F ZINC000854525878 879880555 /nfs/dbraw/zinc/88/05/55/879880555.db2.gz IXHJIABZAQSQFI-FGTMMUONSA-N -1 3 396.453 3.563 20 0 GHADHM CCCN(CCC)C(=O)CCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000531492815 879964079 /nfs/dbraw/zinc/96/40/79/879964079.db2.gz SAAZRROGYNKPIV-UHFFFAOYSA-N -1 3 385.302 3.912 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(C(F)(F)F)cnc1Cl ZINC000790965838 880108591 /nfs/dbraw/zinc/10/85/91/880108591.db2.gz IDKARUXNZGVWQY-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452876718 880191702 /nfs/dbraw/zinc/19/17/02/880191702.db2.gz UFXPPOMNGWBOAU-CQSZACIVSA-N -1 3 378.241 3.852 20 0 GHADHM CC(C)n1ccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001203167097 912547810 /nfs/dbraw/zinc/54/78/10/912547810.db2.gz VDAWHNCYJZLUAV-UHFFFAOYSA-N -1 3 387.461 3.639 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000855147081 880297781 /nfs/dbraw/zinc/29/77/81/880297781.db2.gz ALPFEIBKNGGHDJ-QGZVFWFLSA-N -1 3 388.508 3.892 20 0 GHADHM O=C(CCCNC(=O)c1cc2sccc2c([O-])c1)N1Cc2ccccc2C1 ZINC000791362285 880372244 /nfs/dbraw/zinc/37/22/44/880372244.db2.gz ZEIJCTBMSWKKTH-UHFFFAOYSA-N -1 3 380.469 3.659 20 0 GHADHM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2nnc3ccccc3c2[O-])CO1 ZINC000855334956 880464056 /nfs/dbraw/zinc/46/40/56/880464056.db2.gz ZHYMRKCGOCQTIT-INIZCTEOSA-N -1 3 377.444 3.545 20 0 GHADHM CC(C)(C)OCCOc1cccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)n1 ZINC000453141214 880538268 /nfs/dbraw/zinc/53/82/68/880538268.db2.gz BWCUFMROXAZZBB-UHFFFAOYSA-N -1 3 387.411 3.761 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000531820967 880555695 /nfs/dbraw/zinc/55/56/95/880555695.db2.gz WUCAJVBTDCPYAZ-GFCCVEGCSA-N -1 3 377.282 3.943 20 0 GHADHM CCS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)s1 ZINC000791814449 880710286 /nfs/dbraw/zinc/71/02/86/880710286.db2.gz VTKQUPXBRUOZOT-UHFFFAOYSA-N -1 3 393.864 3.603 20 0 GHADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000185976798 880745837 /nfs/dbraw/zinc/74/58/37/880745837.db2.gz SYHUVCIFJIVWPB-VHSXEESVSA-N -1 3 388.695 3.754 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000186103703 880788145 /nfs/dbraw/zinc/78/81/45/880788145.db2.gz CQCKEAWCKVZCFI-UHFFFAOYSA-N -1 3 389.381 3.771 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000186103703 880788151 /nfs/dbraw/zinc/78/81/51/880788151.db2.gz CQCKEAWCKVZCFI-UHFFFAOYSA-N -1 3 389.381 3.771 20 0 GHADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)NCc1ccc([O-])c(F)c1 ZINC000186107720 880789272 /nfs/dbraw/zinc/78/92/72/880789272.db2.gz SEHXZLSNQPKYCW-UHFFFAOYSA-N -1 3 392.228 3.775 20 0 GHADHM Cc1ccc(-c2noc(CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)s1 ZINC000453326726 880797878 /nfs/dbraw/zinc/79/78/78/880797878.db2.gz NUTWKHKTXPKKSR-UHFFFAOYSA-N -1 3 393.490 3.836 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000186264033 880835019 /nfs/dbraw/zinc/83/50/19/880835019.db2.gz HWIOYBXOOPSZMO-ZBFHGGJFSA-N -1 3 385.302 3.548 20 0 GHADHM CCc1nc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000532006573 880877624 /nfs/dbraw/zinc/87/76/24/880877624.db2.gz TVEUFFCNLIHKBZ-UHFFFAOYSA-N -1 3 384.299 3.515 20 0 GHADHM Cc1cc([C@H]2CCN(C(=O)c3nnc4ccccc4c3[O-])C2)c(O)cc1Cl ZINC000856062903 880941309 /nfs/dbraw/zinc/94/13/09/880941309.db2.gz RNYXMODJKFRSQC-LBPRGKRZSA-N -1 3 383.835 3.633 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)c2nc(-c3ccccc3)no2)[n-]c1-c1ccccc1 ZINC000186848895 881003405 /nfs/dbraw/zinc/00/34/05/881003405.db2.gz QZMIMEWOVWPMGE-AWEZNQCLSA-N -1 3 394.456 3.970 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CC[C@H]1F ZINC000856329844 881137342 /nfs/dbraw/zinc/13/73/42/881137342.db2.gz DYQUVEQULAIKIP-ZIAGYGMSSA-N -1 3 394.468 3.684 20 0 GHADHM COc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc2c1O[C@H](C)C2 ZINC000792482821 881137344 /nfs/dbraw/zinc/13/73/44/881137344.db2.gz FTKCXRCZOWRAGW-LLVKDONJSA-N -1 3 390.399 3.802 20 0 GHADHM COc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc2c1O[C@H](C)C2 ZINC000792482821 881137362 /nfs/dbraw/zinc/13/73/62/881137362.db2.gz FTKCXRCZOWRAGW-LLVKDONJSA-N -1 3 390.399 3.802 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292024 881175789 /nfs/dbraw/zinc/17/57/89/881175789.db2.gz IALOVSNOXDMEDS-SECBINFHSA-N -1 3 390.768 3.811 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292029 881176198 /nfs/dbraw/zinc/17/61/98/881176198.db2.gz IALOVSNOXDMEDS-VIFPVBQESA-N -1 3 390.768 3.811 20 0 GHADHM CCCCc1nc(NC(=O)Cc2c[nH]c3cc(C)ccc23)c(C(=O)OCC)[n-]1 ZINC000792554152 881185993 /nfs/dbraw/zinc/18/59/93/881185993.db2.gz VPKOFDIMEKJSJV-UHFFFAOYSA-N -1 3 382.464 3.900 20 0 GHADHM C[C@](CO)(NCc1nnc(-c2ccccc2[O-])o1)c1cc(Cl)cc(Cl)c1 ZINC001170272974 881287908 /nfs/dbraw/zinc/28/79/08/881287908.db2.gz LRGBHWLWCYRJHO-GOSISDBHSA-N -1 3 394.258 3.746 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640292939 881299320 /nfs/dbraw/zinc/29/93/20/881299320.db2.gz QKQBKXKZPCPOIS-WCBMZHEXSA-N -1 3 376.766 3.559 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000475755486 883229702 /nfs/dbraw/zinc/22/97/02/883229702.db2.gz YIYBMGNLJWNYFJ-CYBMUJFWSA-N -1 3 391.443 3.807 20 0 GHADHM Cc1nc(-c2ccc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)nc2)[n-]c(=O)c1C ZINC000804704107 883293746 /nfs/dbraw/zinc/29/37/46/883293746.db2.gz DRLRGPQTEUOGDA-DYVFJYSZSA-N -1 3 379.291 3.881 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(Cc2ccccc2F)n1 ZINC000135511840 883425881 /nfs/dbraw/zinc/42/58/81/883425881.db2.gz YCGJHYSLNQSVCH-UHFFFAOYSA-N -1 3 396.490 3.590 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000135517771 883426558 /nfs/dbraw/zinc/42/65/58/883426558.db2.gz RSMBDSWQXRNRLS-UHFFFAOYSA-N -1 3 382.463 3.667 20 0 GHADHM COc1ccc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1O ZINC000135542800 883438354 /nfs/dbraw/zinc/43/83/54/883438354.db2.gz YBVGTPQFPGRORG-UHFFFAOYSA-N -1 3 377.440 3.969 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](c3cnn(C)c3)c3ccc(F)cc3)cc(=O)oc12 ZINC000185424491 883456983 /nfs/dbraw/zinc/45/69/83/883456983.db2.gz LGHUWDNVTMPNHY-NRFANRHFSA-N -1 3 393.418 3.559 20 0 GHADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209834 883487825 /nfs/dbraw/zinc/48/78/25/883487825.db2.gz ZYTYBKWYNPGBFA-PWSUYJOCSA-N -1 3 396.734 3.584 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Br ZINC000006919611 883492795 /nfs/dbraw/zinc/49/27/95/883492795.db2.gz YPILMGAVZGRJHA-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000064478290 883501723 /nfs/dbraw/zinc/50/17/23/883501723.db2.gz PLLHDVISUVVZSJ-KBPBESRZSA-N -1 3 380.897 3.754 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1ccc(Br)cc1F ZINC000475773933 883597116 /nfs/dbraw/zinc/59/71/16/883597116.db2.gz QJAFZGTZOGOVTL-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000059746874 883658017 /nfs/dbraw/zinc/65/80/17/883658017.db2.gz MJRVMJWMBAAOSS-NSHDSACASA-N -1 3 397.324 3.775 20 0 GHADHM CC[C@H](C)C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC001130153050 883755969 /nfs/dbraw/zinc/75/59/69/883755969.db2.gz VLDNBWCTEUQLAK-GWCFXTLKSA-N -1 3 392.240 3.635 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(C)C ZINC000859349408 883765928 /nfs/dbraw/zinc/76/59/28/883765928.db2.gz ZNMDIXSNHJUDLY-MRXNPFEDSA-N -1 3 396.896 3.506 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000477142711 883784128 /nfs/dbraw/zinc/78/41/28/883784128.db2.gz NWDAJTWJCKYDOS-UHFFFAOYSA-N -1 3 397.378 3.542 20 0 GHADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(F)cc3Cl)o2)cs1 ZINC000477153005 883798461 /nfs/dbraw/zinc/79/84/61/883798461.db2.gz WORRPWXEOAJDBE-UHFFFAOYSA-N -1 3 386.857 3.983 20 0 GHADHM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909667486 883803003 /nfs/dbraw/zinc/80/30/03/883803003.db2.gz IIZZOSNXJYZXCH-UYAOXDASSA-N -1 3 390.499 3.578 20 0 GHADHM O=c1nc(CN2CCOC[C@H]2CC(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000286476912 912765772 /nfs/dbraw/zinc/76/57/72/912765772.db2.gz OCPZOZRFHGYNPL-SNVBAGLBSA-N -1 3 381.404 3.513 20 0 GHADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000747271640 884167803 /nfs/dbraw/zinc/16/78/03/884167803.db2.gz SVCIYSGMRBSPGE-KTKRTIGZSA-N -1 3 393.827 3.619 20 0 GHADHM CCCCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533694 884180744 /nfs/dbraw/zinc/18/07/44/884180744.db2.gz JJTUOKUSSILNBJ-NSHDSACASA-N -1 3 391.518 3.783 20 0 GHADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nnn1-c1cccc(C)c1 ZINC000476175769 884201512 /nfs/dbraw/zinc/20/15/12/884201512.db2.gz SNEZKDGOIWFRHL-UHFFFAOYSA-N -1 3 376.338 3.861 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 ZINC000321372107 884433148 /nfs/dbraw/zinc/43/31/48/884433148.db2.gz CTFQLZXWHMEOOL-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CC[C@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C)cc1 ZINC000130406605 884633472 /nfs/dbraw/zinc/63/34/72/884633472.db2.gz MEROKIDRYGRFHE-GOSISDBHSA-N -1 3 380.488 3.569 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N1CC[C@@H](c3cc(=O)[nH][n-]3)C1)ccc2Br ZINC000898222152 884676175 /nfs/dbraw/zinc/67/61/75/884676175.db2.gz UBJPYYIXJWBIBQ-SNVBAGLBSA-N -1 3 390.237 3.562 20 0 GHADHM COC1(OC)CC2(CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)[C@H]2C(C)C)C1 ZINC000898345921 884763451 /nfs/dbraw/zinc/76/34/51/884763451.db2.gz BNTSDGPJGCZIDX-HNNXBMFYSA-N -1 3 387.398 3.661 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[O-] ZINC000666346959 884803612 /nfs/dbraw/zinc/80/36/12/884803612.db2.gz JTBORHUUDGOOFW-HUUCEWRRSA-N -1 3 394.471 3.965 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccccc2)c1 ZINC000542613516 884989381 /nfs/dbraw/zinc/98/93/81/884989381.db2.gz UDWWIWRPZUUOPM-GOSISDBHSA-N -1 3 377.400 3.528 20 0 GHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1c1ccccc1 ZINC000533918861 885000506 /nfs/dbraw/zinc/00/05/06/885000506.db2.gz UGUMTJIIXZATHZ-HZPDHXFCSA-N -1 3 385.316 3.717 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CC(C)(C)c1ccccc1Cl ZINC001183870578 912890581 /nfs/dbraw/zinc/89/05/81/912890581.db2.gz ISAKCPBGDYXMLU-UHFFFAOYSA-N -1 3 392.839 3.548 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806841739 885054023 /nfs/dbraw/zinc/05/40/23/885054023.db2.gz YRZYQEYCWZNKNU-JOCHJYFZSA-N -1 3 394.446 3.977 20 0 GHADHM CN(C)c1cccc([C@@H]2CCCN2Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000117864428 885114013 /nfs/dbraw/zinc/11/40/13/885114013.db2.gz NNIUINZYOLDKBI-SFHVURJKSA-N -1 3 380.521 3.863 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795850777 912910592 /nfs/dbraw/zinc/91/05/92/912910592.db2.gz MKHPPAGFWQNWSG-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000747382699 885332662 /nfs/dbraw/zinc/33/26/62/885332662.db2.gz YTLDZIHIXUMVJM-OAHLLOKOSA-N -1 3 393.846 3.620 20 0 GHADHM CCC[C@H](NC(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1ccccc1 ZINC000919325591 885335281 /nfs/dbraw/zinc/33/52/81/885335281.db2.gz MHNLKPIQSDYORK-INIZCTEOSA-N -1 3 381.432 3.793 20 0 GHADHM CCC[C@H](NC(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000919325591 885335303 /nfs/dbraw/zinc/33/53/03/885335303.db2.gz MHNLKPIQSDYORK-INIZCTEOSA-N -1 3 381.432 3.793 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(C)C ZINC000919328298 885341937 /nfs/dbraw/zinc/34/19/37/885341937.db2.gz BAYDMYIYSZXVAO-IBGZPJMESA-N -1 3 397.431 3.807 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(C)C ZINC000919328298 885341959 /nfs/dbraw/zinc/34/19/59/885341959.db2.gz BAYDMYIYSZXVAO-IBGZPJMESA-N -1 3 397.431 3.807 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3s2)s1 ZINC001127335737 885342316 /nfs/dbraw/zinc/34/23/16/885342316.db2.gz YTZCOIZGOHTHJQ-UHFFFAOYSA-N -1 3 381.866 3.764 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1c[nH]c2cccc(F)c21 ZINC000762076259 885343562 /nfs/dbraw/zinc/34/35/62/885343562.db2.gz JIKRDBVZIMEKRY-UHFFFAOYSA-N -1 3 396.159 3.870 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329293 885345212 /nfs/dbraw/zinc/34/52/12/885345212.db2.gz NOARWVAQSNKLLU-INIZCTEOSA-N -1 3 399.472 3.732 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329293 885345230 /nfs/dbraw/zinc/34/52/30/885345230.db2.gz NOARWVAQSNKLLU-INIZCTEOSA-N -1 3 399.472 3.732 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)n[n-]2)o1 ZINC000919324283 885379001 /nfs/dbraw/zinc/37/90/01/885379001.db2.gz FNGQVXBZDZHYRI-UHFFFAOYSA-N -1 3 377.759 3.566 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)[n-]n2)o1 ZINC000919324283 885379022 /nfs/dbraw/zinc/37/90/22/885379022.db2.gz FNGQVXBZDZHYRI-UHFFFAOYSA-N -1 3 377.759 3.566 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000131034625 885427106 /nfs/dbraw/zinc/42/71/06/885427106.db2.gz ZGFJZSVBKOVYRJ-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM C[C@H]1CC(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@H](C)C1 ZINC001130942712 885438275 /nfs/dbraw/zinc/43/82/75/885438275.db2.gz KLFIVRDPVKVPED-ZIAGYGMSSA-N -1 3 398.544 3.705 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC(C)(C)C(C)(C)C)c2)n1 ZINC000556558505 885450268 /nfs/dbraw/zinc/45/02/68/885450268.db2.gz BUOSDHIOUOSOAB-UHFFFAOYSA-N -1 3 398.507 3.539 20 0 GHADHM O=C(OC[C@@H]1CCSC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000762153524 885486411 /nfs/dbraw/zinc/48/64/11/885486411.db2.gz USXJXMCGSGSMBK-ZDUSSCGKSA-N -1 3 395.477 3.536 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(c2cccc(F)c2)C1)c1cc(F)ccc1Cl ZINC000303656909 885666857 /nfs/dbraw/zinc/66/68/57/885666857.db2.gz LXASEUQXMZUFKI-AWEZNQCLSA-N -1 3 386.851 3.566 20 0 GHADHM CN(C(=O)c1nnc2ccccc2c1[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807711456 885683953 /nfs/dbraw/zinc/68/39/53/885683953.db2.gz NASKBVUJUZBBNF-ZWKOTPCHSA-N -1 3 377.444 3.654 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3ccccc32)cc1OC ZINC000108548815 885740648 /nfs/dbraw/zinc/74/06/48/885740648.db2.gz MGGSLEDJNSUXST-UHFFFAOYSA-N -1 3 384.457 3.862 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000123730411 885968490 /nfs/dbraw/zinc/96/84/90/885968490.db2.gz RTAVDIBWIYKQBL-AWEZNQCLSA-N -1 3 393.406 3.650 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3sccc3S(C)(=O)=O)s2)o1 ZINC000118635780 886231223 /nfs/dbraw/zinc/23/12/23/886231223.db2.gz FBGNVFNSNDFULP-UHFFFAOYSA-N -1 3 382.488 3.737 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(F)c(Br)cc1F ZINC001127354302 886256842 /nfs/dbraw/zinc/25/68/42/886256842.db2.gz BPJIKQWBFXBUOV-UHFFFAOYSA-N -1 3 387.571 3.676 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCc1nc(-c2ccccc2Cl)no1 ZINC000113733830 886298971 /nfs/dbraw/zinc/29/89/71/886298971.db2.gz CVRSJPVUJFUTKV-UHFFFAOYSA-N -1 3 393.834 3.629 20 0 GHADHM O=S(=O)([N-]CCCOc1ccccc1F)c1cccc(Cl)c1Cl ZINC000032442798 886490062 /nfs/dbraw/zinc/49/00/62/886490062.db2.gz ISFHJHMFFJBPQI-UHFFFAOYSA-N -1 3 378.252 3.880 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](c3ccccc3)C(C)(C)CO)nc2)n1 ZINC000120806090 886532178 /nfs/dbraw/zinc/53/21/78/886532178.db2.gz KBHGLDYKIPOGFJ-IBGZPJMESA-N -1 3 392.503 3.609 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119414319 886669626 /nfs/dbraw/zinc/66/96/26/886669626.db2.gz JEYUNPBQVRAMMF-SSDOTTSWSA-N -1 3 393.287 3.897 20 0 GHADHM COc1cccc2c(C(=O)OCc3coc(-c4c(F)cccc4F)n3)n[n-]c21 ZINC000808674297 886670849 /nfs/dbraw/zinc/67/08/49/886670849.db2.gz PZLXJOGDKNDWHV-UHFFFAOYSA-N -1 3 385.326 3.862 20 0 GHADHM COc1cccc2c(C(=O)OCc3coc(-c4c(F)cccc4F)n3)[n-]nc21 ZINC000808674297 886670854 /nfs/dbraw/zinc/67/08/54/886670854.db2.gz PZLXJOGDKNDWHV-UHFFFAOYSA-N -1 3 385.326 3.862 20 0 GHADHM COc1cccc2c(C(=O)OCc3cccc(SC(=O)N(C)C)c3)n[n-]c21 ZINC000808676202 886672600 /nfs/dbraw/zinc/67/26/00/886672600.db2.gz HCVVNIJUVGMINV-UHFFFAOYSA-N -1 3 385.445 3.702 20 0 GHADHM COc1cccc2c(C(=O)OCc3cccc(SC(=O)N(C)C)c3)[n-]nc21 ZINC000808676202 886672607 /nfs/dbraw/zinc/67/26/07/886672607.db2.gz HCVVNIJUVGMINV-UHFFFAOYSA-N -1 3 385.445 3.702 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640291343 886733748 /nfs/dbraw/zinc/73/37/48/886733748.db2.gz ANSXCPGRAUFCRX-JTQLQIEISA-N -1 3 390.793 3.802 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000762747271 886789565 /nfs/dbraw/zinc/78/95/65/886789565.db2.gz LNHOWLWUDQRNBP-QHCPKHFHSA-N -1 3 396.487 3.551 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000762812368 886824137 /nfs/dbraw/zinc/82/41/37/886824137.db2.gz LUSCRCDHQXUXAO-MBFWDRTGSA-N -1 3 376.884 3.969 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cn3ccccc3n2)CC1 ZINC000125321858 886854602 /nfs/dbraw/zinc/85/46/02/886854602.db2.gz BBULHOVQNKYXAH-UHFFFAOYSA-N -1 3 384.867 3.544 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3(c4cccnc4)CCCC3)c2)n1 ZINC000808987119 886966165 /nfs/dbraw/zinc/96/61/65/886966165.db2.gz FSPMCIPPCGJCIH-UHFFFAOYSA-N -1 3 375.428 3.970 20 0 GHADHM COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCCC1 ZINC000013181132 887069624 /nfs/dbraw/zinc/06/96/24/887069624.db2.gz MPNDTFMDGHSRCU-SFHVURJKSA-N -1 3 385.420 3.551 20 0 GHADHM O=C([O-])[C@]12CN(Cc3coc(-c4cc(Cl)cc(Cl)c4)n3)C[C@H]1COCC2 ZINC000863467331 887129376 /nfs/dbraw/zinc/12/93/76/887129376.db2.gz SSIMCQNFJDMIDE-KPZWWZAWSA-N -1 3 397.258 3.572 20 0 GHADHM O=S(=O)([N-]Cc1csc(-c2ccco2)n1)c1cnc(Cl)c(Cl)c1 ZINC000153662901 887245934 /nfs/dbraw/zinc/24/59/34/887245934.db2.gz VDYYRXHSPYSVMY-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM CC(C)c1scnc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000809391894 887349428 /nfs/dbraw/zinc/34/94/28/887349428.db2.gz AELSXJFHBTUPGN-UHFFFAOYSA-N -1 3 399.513 3.735 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001131707639 887441381 /nfs/dbraw/zinc/44/13/81/887441381.db2.gz ONYMSDDEZIFLIN-UHFFFAOYSA-N -1 3 389.864 3.765 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001131707639 887441389 /nfs/dbraw/zinc/44/13/89/887441389.db2.gz ONYMSDDEZIFLIN-UHFFFAOYSA-N -1 3 389.864 3.765 20 0 GHADHM CC(C)Cc1ncc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000794595222 887637082 /nfs/dbraw/zinc/63/70/82/887637082.db2.gz VGJTVNIDHIXQSF-FPLPWBNLSA-N -1 3 396.310 3.850 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)C(F)(F)F ZINC000459369347 887788662 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397.425 3.607 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000532811655 888991404 /nfs/dbraw/zinc/99/14/04/888991404.db2.gz KEPVCZNWRMZPBK-UHFFFAOYSA-N -1 3 393.915 3.986 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC(C)(C)C1 ZINC000810900540 889009239 /nfs/dbraw/zinc/00/92/39/889009239.db2.gz YNPKKHSOIGEZEH-ILXRZTDVSA-N -1 3 376.463 3.756 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1c(Cl)cccc1Cl ZINC000532858674 889097416 /nfs/dbraw/zinc/09/74/16/889097416.db2.gz MVPQLXVPXFNQMZ-VQISRLSMSA-N -1 3 376.305 3.619 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cc(Cl)cc(Cl)c2)ccc1F ZINC000811112863 889201684 /nfs/dbraw/zinc/20/16/84/889201684.db2.gz RZOVHYGYYNKBDD-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3C)c1 ZINC000542593815 889249313 /nfs/dbraw/zinc/24/93/13/889249313.db2.gz QTMILETUBIHMRL-LJQANCHMSA-N -1 3 391.427 3.667 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1n1ccnc1 ZINC000123942967 889454139 /nfs/dbraw/zinc/45/41/39/889454139.db2.gz GGYCJYMPYOWWQN-UTKZUKDTSA-N -1 3 375.472 3.903 20 0 GHADHM CS(=O)(=O)c1ccc(OCCOC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811393545 889534479 /nfs/dbraw/zinc/53/44/79/889534479.db2.gz MMDOFUCWKKHRGV-UHFFFAOYSA-N -1 3 399.877 3.522 20 0 GHADHM O=C(OCCCS(=O)(=O)c1ccccc1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393544 889534798 /nfs/dbraw/zinc/53/47/98/889534798.db2.gz MLXGZIRGIUWMQT-UHFFFAOYSA-N -1 3 383.878 3.904 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1noc(-c2ccccc2)n1 ZINC000124774102 889757272 /nfs/dbraw/zinc/75/72/72/889757272.db2.gz DYFZHDDCYOJFMF-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000124917648 889814810 /nfs/dbraw/zinc/81/48/10/889814810.db2.gz PFCLWXDSEIGJRR-UHFFFAOYSA-N -1 3 376.815 3.605 20 0 GHADHM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125342442 889959771 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3.760 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2cccnc2Cl)c(Br)c1 ZINC001184880768 913511959 /nfs/dbraw/zinc/51/19/59/913511959.db2.gz QOSKGTYQHDRZDL-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CNC2CC(C(=O)[O-])C2)c1 ZINC000871881751 891071801 /nfs/dbraw/zinc/07/18/01/891071801.db2.gz HITBXPAYCKZFOY-UHFFFAOYSA-N -1 3 375.852 3.880 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)c(F)cc1OC(C)C)OCC ZINC001212222214 891091674 /nfs/dbraw/zinc/09/16/74/891091674.db2.gz JELIHLPAWPMKAU-UHFFFAOYSA-N -1 3 397.422 3.933 20 0 GHADHM CCc1nc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)sc1C(=O)OC ZINC001127425790 891336580 /nfs/dbraw/zinc/33/65/80/891336580.db2.gz KKEQPTJKQKKQPZ-UHFFFAOYSA-N -1 3 393.371 3.678 20 0 GHADHM Cc1nsc([N-]c2cnc(N3CCCCC3)nc2OCc2ccccc2)n1 ZINC001212024707 891354215 /nfs/dbraw/zinc/35/42/15/891354215.db2.gz JOQHCDLRWDPCJQ-UHFFFAOYSA-N -1 3 382.493 3.949 20 0 GHADHM O=c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccc([O-])cc2o1 ZINC000008318523 891518996 /nfs/dbraw/zinc/51/89/96/891518996.db2.gz CCHVIYFFWAYIKH-SFHVURJKSA-N -1 3 379.412 3.607 20 0 GHADHM COc1ccc(OC)c([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000025704324 891547918 /nfs/dbraw/zinc/54/79/18/891547918.db2.gz HOMJRFQLTCWPTM-LBPRGKRZSA-N -1 3 379.416 3.537 20 0 GHADHM Cc1ccc(C)c(SCc2cccc(C(=O)NCCCc3cc(=O)[nH][n-]3)c2)c1 ZINC000614920722 891594262 /nfs/dbraw/zinc/59/42/62/891594262.db2.gz GDNCZHRWGBFQGH-UHFFFAOYSA-N -1 3 395.528 3.982 20 0 GHADHM Cc1cc(Cl)ccc1O[C@@H](C(=O)NCCCc1cc(=O)[nH][n-]1)c1ccccc1 ZINC000614921574 891597700 /nfs/dbraw/zinc/59/77/00/891597700.db2.gz RSHHFTSFAIFQNK-HXUWFJFHSA-N -1 3 399.878 3.541 20 0 GHADHM Cc1c(Cl)c(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)nc2ccccc12 ZINC000873644491 891721313 /nfs/dbraw/zinc/72/13/13/891721313.db2.gz PJZYTSHROSDISX-GJZGRUSLSA-N -1 3 398.894 3.620 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873644699 891723044 /nfs/dbraw/zinc/72/30/44/891723044.db2.gz QVOVXXXGNNITMI-MRVWCRGKSA-N -1 3 382.291 3.978 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000053308003 891990315 /nfs/dbraw/zinc/99/03/15/891990315.db2.gz GZVGIDCUTVZQDT-UHFFFAOYSA-N -1 3 378.450 3.973 20 0 GHADHM CCc1ccccc1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825721881 892067288 /nfs/dbraw/zinc/06/72/88/892067288.db2.gz BLMHJVRZBJGXGV-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)ccc(Cl)c1Cl)c1cnc(Cl)nc1 ZINC001185068674 913642542 /nfs/dbraw/zinc/64/25/42/913642542.db2.gz FXQIWWNSQSHLID-UHFFFAOYSA-N -1 3 387.075 3.569 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(I)ccc2[O-])CCO1 ZINC000611659619 892293040 /nfs/dbraw/zinc/29/30/40/892293040.db2.gz RLYBWJGDDJRUBM-CMPLNLGQSA-N -1 3 389.233 3.531 20 0 GHADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263115039 892440003 /nfs/dbraw/zinc/44/00/03/892440003.db2.gz LKSGXTPAAMMZNT-RBUKOAKNSA-N -1 3 394.515 3.858 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC000263154810 892454652 /nfs/dbraw/zinc/45/46/52/892454652.db2.gz OCJHNCASQUXERN-NPMXOYFQSA-N -1 3 393.487 3.938 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000068600519 892472135 /nfs/dbraw/zinc/47/21/35/892472135.db2.gz YAQXHOAASHJTSY-OAQYLSRUSA-N -1 3 397.434 3.750 20 0 GHADHM CC(C)(C)CCOc1cnccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000497805141 892473679 /nfs/dbraw/zinc/47/36/79/892473679.db2.gz UWSSYHWEQNAVIR-UHFFFAOYSA-N -1 3 375.444 3.741 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1[O-] ZINC000666847101 892725728 /nfs/dbraw/zinc/72/57/28/892725728.db2.gz IPFCNEWZDPDEAM-UHFFFAOYSA-N -1 3 388.851 3.886 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c[n-]1 ZINC000814529962 892862368 /nfs/dbraw/zinc/86/23/68/892862368.db2.gz DQYUNWHIFBSCEZ-LJQANCHMSA-N -1 3 392.411 3.647 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H](O)C(F)(F)F ZINC000497985718 892889590 /nfs/dbraw/zinc/88/95/90/892889590.db2.gz WNYGIVQREZKHSW-SKDRFNHKSA-N -1 3 387.832 3.535 20 0 GHADHM Cc1cc(NC(=O)CNCc2cccc([O-])c2Cl)ccc1Br ZINC000645155075 913711172 /nfs/dbraw/zinc/71/11/72/913711172.db2.gz AKLGURWNACIITA-UHFFFAOYSA-N -1 3 383.673 3.845 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)cc1 ZINC000125764214 892975938 /nfs/dbraw/zinc/97/59/38/892975938.db2.gz TVPJSWLLIRWVSX-OAHLLOKOSA-N -1 3 399.299 3.928 20 0 GHADHM O=C1[C@@H](NCc2cccc([O-])c2Cl)CCCN1c1ccc(OC(F)F)cc1 ZINC000645159870 913718265 /nfs/dbraw/zinc/71/82/65/913718265.db2.gz ODTHINHUCVQLOT-HNNXBMFYSA-N -1 3 396.821 3.932 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000533803303 893047380 /nfs/dbraw/zinc/04/73/80/893047380.db2.gz RRFMMBNTVOYSPV-HOCLYGCPSA-N -1 3 390.480 3.793 20 0 GHADHM Cc1cccc([C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C(=O)OC(C)(C)C)c1 ZINC001134609624 893102080 /nfs/dbraw/zinc/10/20/80/893102080.db2.gz LBHKCPCQJDMTHN-LJQANCHMSA-N -1 3 392.455 3.649 20 0 GHADHM CCc1cc2c(CSc3nc(C(=O)OC)cs3)cc(=O)oc2cc1[O-] ZINC000814791382 893169652 /nfs/dbraw/zinc/16/96/52/893169652.db2.gz FWAZXSHUYIBGCO-UHFFFAOYSA-N -1 3 377.443 3.596 20 0 GHADHM Cn1ccnc1[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)cc1F ZINC001134668979 893172183 /nfs/dbraw/zinc/17/21/83/893172183.db2.gz GSKAYWUZOIRHCU-INIZCTEOSA-N -1 3 399.294 3.774 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(-c2cnco2)cc1 ZINC001185229217 913743137 /nfs/dbraw/zinc/74/31/37/913743137.db2.gz HSYSWUZXUKNAIA-UHFFFAOYSA-N -1 3 387.436 3.882 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(Cl)c3F)nc21 ZINC001134753337 893288427 /nfs/dbraw/zinc/28/84/27/893288427.db2.gz JXIGWKWQEZRJHW-UHFFFAOYSA-N -1 3 375.787 3.713 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Sc3ccc(OC)cc3)nc21 ZINC001134753235 893289460 /nfs/dbraw/zinc/28/94/60/893289460.db2.gz HXTLFAAAIJNNEB-LBPRGKRZSA-N -1 3 399.472 3.868 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)/C=C3\CC[C@@H](C)C3)[n-]c2c(Br)c1 ZINC001134789143 893305942 /nfs/dbraw/zinc/30/59/42/893305942.db2.gz OBLRRXDZHSKLAS-ZFZMKPAXSA-N -1 3 392.253 3.797 20 0 GHADHM COc1ccc(NC[C@H](OC(C)C)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000876841379 893357310 /nfs/dbraw/zinc/35/73/10/893357310.db2.gz QMNXAMKEKLZYLP-IBGZPJMESA-N -1 3 378.494 3.645 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c(C)c2)CC1 ZINC000918312856 893470387 /nfs/dbraw/zinc/47/03/87/893470387.db2.gz SQJUIRHRNQNYQK-UHFFFAOYSA-N -1 3 387.524 3.501 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC([C@H](O)C(F)(F)F)CC2)c1C ZINC000563205146 893477876 /nfs/dbraw/zinc/47/78/76/893477876.db2.gz KTGPCTOSFNXKJQ-KRWDZBQOSA-N -1 3 382.382 3.689 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc2c(c1)CCCO2 ZINC000536682075 893551007 /nfs/dbraw/zinc/55/10/07/893551007.db2.gz SGAMPIDVCLXLRG-UHFFFAOYSA-N -1 3 387.379 3.754 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCCc4ccc(OC)cc43)nc21 ZINC001134941276 893655407 /nfs/dbraw/zinc/65/54/07/893655407.db2.gz YDYTZWJUWTVUNL-HNNXBMFYSA-N -1 3 393.443 3.807 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1Br ZINC000459543014 893771042 /nfs/dbraw/zinc/77/10/42/893771042.db2.gz YAZGRGZLPSKHDS-UHFFFAOYSA-N -1 3 394.284 3.863 20 0 GHADHM [O-]c1cccc(CN2CCC[C@](CO)(c3ccccc3)C2)c1Br ZINC000459547080 893778774 /nfs/dbraw/zinc/77/87/74/893778774.db2.gz SACCVPIEPOULIU-IBGZPJMESA-N -1 3 376.294 3.681 20 0 GHADHM Cc1nn(-c2ccccc2)c([N-]S(=O)(=O)c2ccsc2)c1Br ZINC001185350467 913805762 /nfs/dbraw/zinc/80/57/62/913805762.db2.gz BGSQORZRTMKYQP-UHFFFAOYSA-N -1 3 398.307 3.806 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000498280166 893844882 /nfs/dbraw/zinc/84/48/82/893844882.db2.gz YKYZICJGWSUXAW-SNVBAGLBSA-N -1 3 375.226 3.645 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc2c(s1)CCC2 ZINC000563528115 893867702 /nfs/dbraw/zinc/86/77/02/893867702.db2.gz SSUIYWNTLRBWOI-MRVPVSSYSA-N -1 3 377.318 3.978 20 0 GHADHM O=c1[n-]c(CN(Cc2c(Cl)cccc2Cl)C2CC2)nc2c1COCC2 ZINC000878004847 893939972 /nfs/dbraw/zinc/93/99/72/893939972.db2.gz BNIFRDZCUFRJLJ-UHFFFAOYSA-N -1 3 380.275 3.726 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878120361 894033878 /nfs/dbraw/zinc/03/38/78/894033878.db2.gz HGKUSAOXBRUNEQ-HNNXBMFYSA-N -1 3 381.407 3.676 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)[n-]1 ZINC000815775169 894212632 /nfs/dbraw/zinc/21/26/32/894212632.db2.gz XHFSSVFPLNGXLB-FQEVSTJZSA-N -1 3 378.428 3.720 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000878371006 894236857 /nfs/dbraw/zinc/23/68/57/894236857.db2.gz FCOPJSOXHAFWEQ-IBGZPJMESA-N -1 3 385.508 3.921 20 0 GHADHM CC1(C)C[C@@H](N(Cc2ccccc2)Cc2nc3c(c(=O)[n-]2)COCC3)C(C)(C)O1 ZINC000878382731 894246345 /nfs/dbraw/zinc/24/63/45/894246345.db2.gz UDENKPNYFVULKU-LJQANCHMSA-N -1 3 397.519 3.603 20 0 GHADHM Cc1scc(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1C ZINC001170808238 894374867 /nfs/dbraw/zinc/37/48/67/894374867.db2.gz LLDLGGGSTIHOBZ-UHFFFAOYSA-N -1 3 391.290 3.899 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)o1 ZINC000878667509 894498452 /nfs/dbraw/zinc/49/84/52/894498452.db2.gz RYVNSLAPSBSPRG-OAHLLOKOSA-N -1 3 393.365 3.674 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000564146614 894647584 /nfs/dbraw/zinc/64/75/84/894647584.db2.gz CRWQIWLNNSGJGG-ZDUSSCGKSA-N -1 3 386.448 3.529 20 0 GHADHM COc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC001135498717 894707166 /nfs/dbraw/zinc/70/71/66/894707166.db2.gz STBLWYXRZFLISQ-UHFFFAOYSA-N -1 3 378.306 3.688 20 0 GHADHM C[C@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)NC(=O)C1CCCCC1 ZINC000564271011 894798195 /nfs/dbraw/zinc/79/81/95/894798195.db2.gz VVBIQBPOTNNNCA-CYBMUJFWSA-N -1 3 395.463 3.632 20 0 GHADHM CC[C@](C)(OC)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000564279313 894809238 /nfs/dbraw/zinc/80/92/38/894809238.db2.gz LCIGRVQCMFCFTQ-HNNXBMFYSA-N -1 3 378.230 3.556 20 0 GHADHM O=c1[n-]c(CN2CCO[C@@H](Cc3ccccc3)C2)nc2c3ccccc3oc21 ZINC000537375173 894852117 /nfs/dbraw/zinc/85/21/17/894852117.db2.gz RBDUVVVUMMULQD-INIZCTEOSA-N -1 3 375.428 3.525 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1 ZINC000645469032 913918468 /nfs/dbraw/zinc/91/84/68/913918468.db2.gz IMYDLDZVYFNLNO-SFHVURJKSA-N -1 3 392.521 3.746 20 0 GHADHM CC(C)(CO)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000564407868 894946901 /nfs/dbraw/zinc/94/69/01/894946901.db2.gz OSSXZZIXZSVVGJ-FQEVSTJZSA-N -1 3 377.444 3.931 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc([O-])c3F)C[C@H]21 ZINC000816567631 894948412 /nfs/dbraw/zinc/94/84/12/894948412.db2.gz HUARVRMXIHCYPT-XJKCOSOUSA-N -1 3 382.451 3.796 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000816621091 894978785 /nfs/dbraw/zinc/97/87/85/894978785.db2.gz YSQCNHRVTYHHCW-AWEZNQCLSA-N -1 3 376.453 3.571 20 0 GHADHM COCCOC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000816903072 895190655 /nfs/dbraw/zinc/19/06/55/895190655.db2.gz RQKFAJLASKINEV-UHFFFAOYSA-N -1 3 398.337 3.858 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000817000061 895252924 /nfs/dbraw/zinc/25/29/24/895252924.db2.gz IMFJNHSEEHZLAF-AEFFLSMTSA-N -1 3 388.508 3.987 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2C)coc1C(=O)N(C)C ZINC000645532588 913961019 /nfs/dbraw/zinc/96/10/19/913961019.db2.gz MCXUPEQYAAOSMB-KRWDZBQOSA-N -1 3 392.521 3.664 20 0 GHADHM CCN1CCc2nc([N-]C(=O)c3cc(-c4c(F)cccc4F)no3)sc2C1 ZINC001135899044 895548888 /nfs/dbraw/zinc/54/88/88/895548888.db2.gz DGWYHKVUQHSFFQ-UHFFFAOYSA-N -1 3 390.415 3.707 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000817390586 895569504 /nfs/dbraw/zinc/56/95/04/895569504.db2.gz OZYFPQLGEOYTFD-GOSISDBHSA-N -1 3 391.537 3.689 20 0 GHADHM COc1c(C)ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826166813 895732090 /nfs/dbraw/zinc/73/20/90/895732090.db2.gz BXQHYGAVQDGQLD-UHFFFAOYSA-N -1 3 389.463 3.505 20 0 GHADHM COc1c(C)ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826166813 895732102 /nfs/dbraw/zinc/73/21/02/895732102.db2.gz BXQHYGAVQDGQLD-UHFFFAOYSA-N -1 3 389.463 3.505 20 0 GHADHM CCCCCCOC(=O)CCC(=O)CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001170875521 895834466 /nfs/dbraw/zinc/83/44/66/895834466.db2.gz ZEHXLMGWKIEYCK-UHFFFAOYSA-N -1 3 377.268 3.979 20 0 GHADHM COc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826180337 895834989 /nfs/dbraw/zinc/83/49/89/895834989.db2.gz CRBDUHSDUWFWPW-KTKRTIGZSA-N -1 3 393.447 3.659 20 0 GHADHM COc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826180337 895835001 /nfs/dbraw/zinc/83/50/01/895835001.db2.gz CRBDUHSDUWFWPW-KTKRTIGZSA-N -1 3 393.447 3.659 20 0 GHADHM COc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826180338 895835522 /nfs/dbraw/zinc/83/55/22/895835522.db2.gz CRBDUHSDUWFWPW-MDZDMXLPSA-N -1 3 393.447 3.659 20 0 GHADHM COc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826180338 895835536 /nfs/dbraw/zinc/83/55/36/895835536.db2.gz CRBDUHSDUWFWPW-MDZDMXLPSA-N -1 3 393.447 3.659 20 0 GHADHM COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ncccc2[O-])c1 ZINC000565930268 895986775 /nfs/dbraw/zinc/98/67/75/895986775.db2.gz MGQGYCQPDNCSSP-UHFFFAOYSA-N -1 3 391.452 3.787 20 0 GHADHM O=C(Nc1cc(Br)ccc1NC1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566444365 896317368 /nfs/dbraw/zinc/31/73/68/896317368.db2.gz DVBIZAYKMWKMLX-UHFFFAOYSA-N -1 3 389.253 3.649 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN([C@@H](C)C(F)(F)F)CC3)c2c1 ZINC000566621661 896428541 /nfs/dbraw/zinc/42/85/41/896428541.db2.gz ITIOTWLCHMTCAW-ZDUSSCGKSA-N -1 3 381.398 3.623 20 0 GHADHM Cc1nc(Cl)c(Cl)cc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000805719932 896445775 /nfs/dbraw/zinc/44/57/75/896445775.db2.gz NYXADIVBLXURDH-UHFFFAOYSA-N -1 3 380.187 3.809 20 0 GHADHM COC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCC1 ZINC000566764362 896551064 /nfs/dbraw/zinc/55/10/64/896551064.db2.gz PRUHORMAQVANKZ-UHFFFAOYSA-N -1 3 390.241 3.700 20 0 GHADHM C[C@@H]1[C@H](CCC(=O)Nc2ccc(Br)cc2[O-])[C@H](C)Nc2ccnn21 ZINC001136220152 896715955 /nfs/dbraw/zinc/71/59/55/896715955.db2.gz RUGUUVYXQMDYOX-DMDPSCGWSA-N -1 3 393.285 3.761 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC001136220238 896716142 /nfs/dbraw/zinc/71/61/42/896716142.db2.gz USLBWDBUIDEHHX-WDEREUQCSA-N -1 3 384.270 3.851 20 0 GHADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000566942065 896722458 /nfs/dbraw/zinc/72/24/58/896722458.db2.gz HZLWBTOMLKPOEX-AWEZNQCLSA-N -1 3 391.874 3.773 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C1CCCCC1 ZINC000826260817 896748282 /nfs/dbraw/zinc/74/82/82/896748282.db2.gz FSUNQUCMDKMNHT-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C1CCCCC1 ZINC000826260817 896748287 /nfs/dbraw/zinc/74/82/87/896748287.db2.gz FSUNQUCMDKMNHT-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)c(C)[nH]1 ZINC000826258664 896748669 /nfs/dbraw/zinc/74/86/69/896748669.db2.gz RKTLDJOTADCJQK-AWEZNQCLSA-N -1 3 386.459 3.970 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)c(C)[nH]1 ZINC000826258664 896748678 /nfs/dbraw/zinc/74/86/78/896748678.db2.gz RKTLDJOTADCJQK-AWEZNQCLSA-N -1 3 386.459 3.970 20 0 GHADHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)ccc21 ZINC000566995216 896777380 /nfs/dbraw/zinc/77/73/80/896777380.db2.gz XJQJDLWCSUDTCO-UHFFFAOYSA-N -1 3 388.489 3.755 20 0 GHADHM O=C(Nc1cccc(-n2cccn2)c1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001136240750 896841487 /nfs/dbraw/zinc/84/14/87/896841487.db2.gz SQNUCXSRVBRMMY-UHFFFAOYSA-N -1 3 386.411 3.810 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(Br)cc1 ZINC000826278802 896866361 /nfs/dbraw/zinc/86/63/61/896866361.db2.gz UFVUARURYMDYPF-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(Br)cc1 ZINC000826278802 896866372 /nfs/dbraw/zinc/86/63/72/896866372.db2.gz UFVUARURYMDYPF-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC(F)(c4cccnc4)CC3)c2c1 ZINC000567113876 896884624 /nfs/dbraw/zinc/88/46/24/896884624.db2.gz VTWUTBHPGCOCBF-UHFFFAOYSA-N -1 3 381.407 3.802 20 0 GHADHM CCOc1cc(CN2CCc3c(nnn3-c3ccccc3)C2)cc(Cl)c1[O-] ZINC000567136009 896901696 /nfs/dbraw/zinc/90/16/96/896901696.db2.gz JEBHCWKRMJMPNO-UHFFFAOYSA-N -1 3 384.867 3.583 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000819686396 896940662 /nfs/dbraw/zinc/94/06/62/896940662.db2.gz KNVFIOPHWAIILL-IAGOWNOFSA-N -1 3 394.487 3.806 20 0 GHADHM CCCCOc1ccccc1CNc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000130223102 897021701 /nfs/dbraw/zinc/02/17/01/897021701.db2.gz YIFSANCLUURQKE-UHFFFAOYSA-N -1 3 378.494 3.858 20 0 GHADHM C[C@@H](CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CCCCC1 ZINC000820225487 897249833 /nfs/dbraw/zinc/24/98/33/897249833.db2.gz JRZWQNUVARFXDT-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@@H](CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000820225487 897249849 /nfs/dbraw/zinc/24/98/49/897249849.db2.gz JRZWQNUVARFXDT-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(Cl)ccc(F)c1Cl ZINC000820391399 897300442 /nfs/dbraw/zinc/30/04/42/897300442.db2.gz OVKFQCQGUATKOW-LURJTMIESA-N -1 3 386.239 3.865 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(Cl)ccc(F)c1Cl ZINC000820391399 897300448 /nfs/dbraw/zinc/30/04/48/897300448.db2.gz OVKFQCQGUATKOW-LURJTMIESA-N -1 3 386.239 3.865 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820715304 897489611 /nfs/dbraw/zinc/48/96/11/897489611.db2.gz AINBKZXUAMTEQT-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820715304 897489622 /nfs/dbraw/zinc/48/96/22/897489622.db2.gz AINBKZXUAMTEQT-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000131659351 897540857 /nfs/dbraw/zinc/54/08/57/897540857.db2.gz GAFCGOWAICWDMJ-UHFFFAOYSA-N -1 3 382.898 3.575 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000820794041 897553932 /nfs/dbraw/zinc/55/39/32/897553932.db2.gz NRJNDRBZQGYHOH-WMLDXEAASA-N -1 3 388.514 3.601 20 0 GHADHM COc1ccc(-n2c(CN(C[C@H](C)C(=O)[O-])C3CC3)nc3ccccc32)cc1 ZINC000568073147 897571457 /nfs/dbraw/zinc/57/14/57/897571457.db2.gz VWSACCHADVTPCW-HNNXBMFYSA-N -1 3 379.460 3.719 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875901 897601167 /nfs/dbraw/zinc/60/11/67/897601167.db2.gz IEZXUIJFAACQIE-HZPDHXFCSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875901 897601178 /nfs/dbraw/zinc/60/11/78/897601178.db2.gz IEZXUIJFAACQIE-HZPDHXFCSA-N -1 3 378.480 3.938 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826322370 897606434 /nfs/dbraw/zinc/60/64/34/897606434.db2.gz JXDJXWWKALGWKU-JTQLQIEISA-N -1 3 398.423 3.684 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826322370 897606442 /nfs/dbraw/zinc/60/64/42/897606442.db2.gz JXDJXWWKALGWKU-JTQLQIEISA-N -1 3 398.423 3.684 20 0 GHADHM CC[C@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820989291 897656456 /nfs/dbraw/zinc/65/64/56/897656456.db2.gz PVVVMLRRKMLCGM-KRWDZBQOSA-N -1 3 387.447 3.648 20 0 GHADHM CC[C@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820989291 897656464 /nfs/dbraw/zinc/65/64/64/897656464.db2.gz PVVVMLRRKMLCGM-KRWDZBQOSA-N -1 3 387.447 3.648 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000821411877 897866923 /nfs/dbraw/zinc/86/69/23/897866923.db2.gz COSABZGYCNCQTO-UHFFFAOYSA-N -1 3 392.463 3.508 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000821411877 897866928 /nfs/dbraw/zinc/86/69/28/897866928.db2.gz COSABZGYCNCQTO-UHFFFAOYSA-N -1 3 392.463 3.508 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000028752658 897884076 /nfs/dbraw/zinc/88/40/76/897884076.db2.gz KLTOXHPWQPAAMD-CABZTGNLSA-N -1 3 383.231 3.507 20 0 GHADHM CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000568515873 897902128 /nfs/dbraw/zinc/90/21/28/897902128.db2.gz IJLWCCJWDFAHGA-UHFFFAOYSA-N -1 3 394.471 3.866 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2Cl)c(OC)c1OC ZINC000568531133 897915058 /nfs/dbraw/zinc/91/50/58/897915058.db2.gz YMYGYTQERCMKQN-UHFFFAOYSA-N -1 3 393.823 3.673 20 0 GHADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826352106 897952100 /nfs/dbraw/zinc/95/21/00/897952100.db2.gz NVGXSVGJXYOEQH-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826352106 897952107 /nfs/dbraw/zinc/95/21/07/897952107.db2.gz NVGXSVGJXYOEQH-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)s2)c(C)c1 ZINC001275483592 914210021 /nfs/dbraw/zinc/21/00/21/914210021.db2.gz OPJRIHRHXVSXAI-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccn2ccnc2c1 ZINC001185930965 914210655 /nfs/dbraw/zinc/21/06/55/914210655.db2.gz PYPNVCNMUVEDPK-UHFFFAOYSA-N -1 3 394.475 3.749 20 0 GHADHM Cc1ncnc(C)c1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185930549 914211328 /nfs/dbraw/zinc/21/13/28/914211328.db2.gz VLHOLRAGGMVNLT-UHFFFAOYSA-N -1 3 384.480 3.508 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccccc1SC ZINC001170972699 898117147 /nfs/dbraw/zinc/11/71/47/898117147.db2.gz IHWLESMJVMFLQX-UHFFFAOYSA-N -1 3 396.472 3.953 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1cc(C(F)F)ccc1Cl ZINC000822224082 898258009 /nfs/dbraw/zinc/25/80/09/898258009.db2.gz VSWHLMREDQIJBP-UHFFFAOYSA-N -1 3 399.810 3.567 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)c(C)c1 ZINC001185974932 914237225 /nfs/dbraw/zinc/23/72/25/914237225.db2.gz SGNFAWDMPVPZTF-UHFFFAOYSA-N -1 3 386.286 3.726 20 0 GHADHM Cn1ccc(C=Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000569051286 898301998 /nfs/dbraw/zinc/30/19/98/898301998.db2.gz CNKQZKAZRBZLLQ-AATRIKPKSA-N -1 3 397.236 3.793 20 0 GHADHM Clc1ccc2c(c1)CCCN2Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822581397 898450659 /nfs/dbraw/zinc/45/06/59/898450659.db2.gz HFKKEDZJFHGOEU-UHFFFAOYSA-N -1 3 393.838 3.523 20 0 GHADHM Clc1ccc2c(c1)CCCN2Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822581397 898450663 /nfs/dbraw/zinc/45/06/63/898450663.db2.gz HFKKEDZJFHGOEU-UHFFFAOYSA-N -1 3 393.838 3.523 20 0 GHADHM CCC[C@H]1CN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)CCN1Cc1ccccc1 ZINC000569249219 898469205 /nfs/dbraw/zinc/46/92/05/898469205.db2.gz XHBRJGGRJXWQNA-SFHVURJKSA-N -1 3 396.535 3.963 20 0 GHADHM COc1ccc(-n2c(CN3CCC[C@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000569251724 898470624 /nfs/dbraw/zinc/47/06/24/898470624.db2.gz XRBXZHCPFQKNRN-QFIPXVFZSA-N -1 3 379.460 3.721 20 0 GHADHM Fc1ccc(-n2cc(CSc3ccccc3-c3nnn[n-]3)nn2)cc1Cl ZINC000826373694 898493036 /nfs/dbraw/zinc/49/30/36/898493036.db2.gz WMIDDQYBDOWAIY-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1ccc(-n2cc(CSc3ccccc3-c3nn[n-]n3)nn2)cc1Cl ZINC000826373694 898493049 /nfs/dbraw/zinc/49/30/49/898493049.db2.gz WMIDDQYBDOWAIY-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1[O-] ZINC000569517581 898738734 /nfs/dbraw/zinc/73/87/34/898738734.db2.gz QJPIYVPSVWFAFP-FQEVSTJZSA-N -1 3 394.515 3.698 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cccc4nn[n-]c43)cs2)cc1 ZINC000800206877 898741456 /nfs/dbraw/zinc/74/14/56/898741456.db2.gz KQMQPXYXSDOTLI-UHFFFAOYSA-N -1 3 380.429 3.837 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cccc4[n-]nnc43)cs2)cc1 ZINC000800206877 898741465 /nfs/dbraw/zinc/74/14/65/898741465.db2.gz KQMQPXYXSDOTLI-UHFFFAOYSA-N -1 3 380.429 3.837 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cccc4n[n-]nc43)cs2)cc1 ZINC000800206877 898741476 /nfs/dbraw/zinc/74/14/76/898741476.db2.gz KQMQPXYXSDOTLI-UHFFFAOYSA-N -1 3 380.429 3.837 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001136653722 898775973 /nfs/dbraw/zinc/77/59/73/898775973.db2.gz FWUJMOQYGRJQFR-CEQQRPIWSA-N -1 3 381.863 3.648 20 0 GHADHM Cc1nnc(COc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)o1 ZINC001136674423 898860211 /nfs/dbraw/zinc/86/02/11/898860211.db2.gz IPUVZUOAMMMZTJ-UHFFFAOYSA-N -1 3 385.395 3.763 20 0 GHADHM C[C@@]12CN([C@@H](C(=O)[O-])c3ccc(Br)cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000569943143 899034927 /nfs/dbraw/zinc/03/49/27/899034927.db2.gz UZNYRVMMAYTWRP-NDMXOPJASA-N -1 3 380.257 3.858 20 0 GHADHM O=C1OC(c2ccc(Cl)c(Cl)c2)=NC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823546721 899104286 /nfs/dbraw/zinc/10/42/86/899104286.db2.gz FCGDUSLNIIVYFT-IZZDOVSWSA-N -1 3 392.227 3.580 20 0 GHADHM COc1cc(CCC2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)cc(OC)c1 ZINC000570099794 899125079 /nfs/dbraw/zinc/12/50/79/899125079.db2.gz ACPNETJMZRCHFM-UHFFFAOYSA-N -1 3 384.476 3.642 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc(CCC(F)(F)F)s2)[n-]n1 ZINC000823627246 899141596 /nfs/dbraw/zinc/14/15/96/899141596.db2.gz LVJXVRAINVTVMO-UHFFFAOYSA-N -1 3 390.387 3.569 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc(CCC(F)(F)F)s2)n[n-]1 ZINC000823627246 899141604 /nfs/dbraw/zinc/14/16/04/899141604.db2.gz LVJXVRAINVTVMO-UHFFFAOYSA-N -1 3 390.387 3.569 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202329 914319211 /nfs/dbraw/zinc/31/92/11/914319211.db2.gz PMFMHNUXKHAWCU-HRCADAONSA-N -1 3 391.471 3.823 20 0 GHADHM Brc1ccc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832280 899271389 /nfs/dbraw/zinc/27/13/89/899271389.db2.gz KOSOMMHYVFPCRN-ZDUSSCGKSA-N -1 3 392.301 3.923 20 0 GHADHM Brc1ccc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832280 899271399 /nfs/dbraw/zinc/27/13/99/899271399.db2.gz KOSOMMHYVFPCRN-ZDUSSCGKSA-N -1 3 392.301 3.923 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H](C)C1 ZINC001136799576 899325559 /nfs/dbraw/zinc/32/55/59/899325559.db2.gz VDXARUGOQIHASK-JRPNMDOOSA-N -1 3 377.282 3.845 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1 ZINC000570670154 899493307 /nfs/dbraw/zinc/49/33/07/899493307.db2.gz CBYHSQPGZHDZGH-INIZCTEOSA-N -1 3 387.885 3.606 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000824319549 899525939 /nfs/dbraw/zinc/52/59/39/899525939.db2.gz UDVGNOQTPIWWQK-JLJPHGGASA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000824319549 899525947 /nfs/dbraw/zinc/52/59/47/899525947.db2.gz UDVGNOQTPIWWQK-JLJPHGGASA-N -1 3 384.484 3.696 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H]3C[C@@H](C)CC(C)(C)C3)CC2)n[n-]1 ZINC000332334431 899584900 /nfs/dbraw/zinc/58/49/00/899584900.db2.gz UFFCAKBPKNXVIS-HUUCEWRRSA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H]3C[C@@H](C)CC(C)(C)C3)CC2)[n-]1 ZINC000332334431 899584909 /nfs/dbraw/zinc/58/49/09/899584909.db2.gz UFFCAKBPKNXVIS-HUUCEWRRSA-N -1 3 390.528 3.540 20 0 GHADHM C[C@@H](NC(=O)C1CC(F)(F)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472000 899618041 /nfs/dbraw/zinc/61/80/41/899618041.db2.gz UAJFMEKNNDFQQV-GFCCVEGCSA-N -1 3 383.402 3.756 20 0 GHADHM C[C@@H](NC(=O)C1CC(F)(F)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472000 899618046 /nfs/dbraw/zinc/61/80/46/899618046.db2.gz UAJFMEKNNDFQQV-GFCCVEGCSA-N -1 3 383.402 3.756 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824488355 899632335 /nfs/dbraw/zinc/63/23/35/899632335.db2.gz FONQTPVOZRWSIO-JYJNAYRXSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824488355 899632339 /nfs/dbraw/zinc/63/23/39/899632339.db2.gz FONQTPVOZRWSIO-JYJNAYRXSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@H](NCc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824626707 899727372 /nfs/dbraw/zinc/72/73/72/899727372.db2.gz RYYWFEFDGMPUNX-JTQLQIEISA-N -1 3 381.333 3.755 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C)c(Br)cc2F)c(=O)[n-]1 ZINC000571323414 899829239 /nfs/dbraw/zinc/82/92/39/899829239.db2.gz MBXALXSBYOZAQZ-UHFFFAOYSA-N -1 3 382.233 3.580 20 0 GHADHM COc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc(Cl)c1OC ZINC000571349508 899837673 /nfs/dbraw/zinc/83/76/73/899837673.db2.gz OXNRTTBNNIQIMY-LJQANCHMSA-N -1 3 379.815 3.512 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824937941 899898006 /nfs/dbraw/zinc/89/80/06/899898006.db2.gz SEWCDCVARVIBJJ-IINYFYTJSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824937941 899898014 /nfs/dbraw/zinc/89/80/14/899898014.db2.gz SEWCDCVARVIBJJ-IINYFYTJSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000824946130 899900640 /nfs/dbraw/zinc/90/06/40/899900640.db2.gz HWTPMHOWMSZQAY-APPDUMDISA-N -1 3 385.830 3.883 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000824946130 899900649 /nfs/dbraw/zinc/90/06/49/899900649.db2.gz HWTPMHOWMSZQAY-APPDUMDISA-N -1 3 385.830 3.883 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(C)(C)C ZINC001186262133 914396652 /nfs/dbraw/zinc/39/66/52/914396652.db2.gz UMHHGUDYHLWOJZ-CZUORRHYSA-N -1 3 385.501 3.743 20 0 GHADHM O=c1nc(CN2CCN(c3cccs3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000121219882 899982493 /nfs/dbraw/zinc/98/24/93/899982493.db2.gz AUMKXLJLBHAVSU-UHFFFAOYSA-N -1 3 398.513 3.628 20 0 GHADHM CCCCC[C@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825266761 900060782 /nfs/dbraw/zinc/06/07/82/900060782.db2.gz HDUXKNUZJRRUGO-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825266761 900060793 /nfs/dbraw/zinc/06/07/93/900060793.db2.gz HDUXKNUZJRRUGO-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCOc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1OC ZINC000825291109 900072623 /nfs/dbraw/zinc/07/26/23/900072623.db2.gz MIFKYKRGBQKGAN-CQSZACIVSA-N -1 3 382.468 3.931 20 0 GHADHM CCCCOc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1OC ZINC000825291109 900072628 /nfs/dbraw/zinc/07/26/28/900072628.db2.gz MIFKYKRGBQKGAN-CQSZACIVSA-N -1 3 382.468 3.931 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304917 900079739 /nfs/dbraw/zinc/07/97/39/900079739.db2.gz NVOHQWCFNHXYBH-PLNGDYQASA-N -1 3 383.395 3.860 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000825319015 900090189 /nfs/dbraw/zinc/09/01/89/900090189.db2.gz VRUGXRAYSLVBPS-AWEZNQCLSA-N -1 3 396.499 3.787 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000825319015 900090200 /nfs/dbraw/zinc/09/02/00/900090200.db2.gz VRUGXRAYSLVBPS-AWEZNQCLSA-N -1 3 396.499 3.787 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000134663783 900104457 /nfs/dbraw/zinc/10/44/57/900104457.db2.gz NLRBYGWRAWOXAS-LLVKDONJSA-N -1 3 379.309 3.549 20 0 GHADHM CCCc1nc(CN[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000825353631 900119941 /nfs/dbraw/zinc/11/99/41/900119941.db2.gz ZNDYRMQHJUWHPS-AWEZNQCLSA-N -1 3 389.463 3.720 20 0 GHADHM CCCc1nc(CN[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000825353631 900119952 /nfs/dbraw/zinc/11/99/52/900119952.db2.gz ZNDYRMQHJUWHPS-AWEZNQCLSA-N -1 3 389.463 3.720 20 0 GHADHM C[C@H](C(=O)Nc1ccc(I)cc1[O-])c1cccc(F)c1 ZINC001154104299 900146708 /nfs/dbraw/zinc/14/67/08/900146708.db2.gz PEXGKHXTEJYFEI-VIFPVBQESA-N -1 3 385.176 3.878 20 0 GHADHM CCN(Cc1ncc(Br)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825444187 900166197 /nfs/dbraw/zinc/16/61/97/900166197.db2.gz JUYFZUHKZKYNPP-SNVBAGLBSA-N -1 3 393.314 3.669 20 0 GHADHM CCN(Cc1ncc(Br)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444187 900166204 /nfs/dbraw/zinc/16/62/04/900166204.db2.gz JUYFZUHKZKYNPP-SNVBAGLBSA-N -1 3 393.314 3.669 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1C ZINC000572426447 900182761 /nfs/dbraw/zinc/18/27/61/900182761.db2.gz BHNBIESZPRWQBO-UHFFFAOYSA-N -1 3 386.473 3.612 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H](Oc3ncccc3F)C2)nc2c3ccccc3oc21 ZINC000573041788 900349946 /nfs/dbraw/zinc/34/99/46/900349946.db2.gz GCULUTZDUGRFFJ-CYBMUJFWSA-N -1 3 394.406 3.659 20 0 GHADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000573146160 900392592 /nfs/dbraw/zinc/39/25/92/900392592.db2.gz ONNUBRXDWKIYNO-UHFFFAOYSA-N -1 3 397.537 3.867 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@]2(C)Cc2cc(Cl)cs2)c(=O)[n-]1 ZINC000885247547 900440591 /nfs/dbraw/zinc/44/05/91/900440591.db2.gz GXQCWLUMEVLNLG-GOSISDBHSA-N -1 3 379.913 3.680 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1 ZINC001186297053 914448188 /nfs/dbraw/zinc/44/81/88/914448188.db2.gz WGQMOKDGXCPRLT-JTQLQIEISA-N -1 3 389.702 3.580 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)c1Cl ZINC000573395125 900493134 /nfs/dbraw/zinc/49/31/34/900493134.db2.gz NCLQPEOPLMABMX-UHFFFAOYSA-N -1 3 384.288 3.736 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(-n2cccn2)cc1 ZINC000573514482 900534966 /nfs/dbraw/zinc/53/49/66/900534966.db2.gz TVIJBPMFJWZCEC-NSHDSACASA-N -1 3 397.834 3.843 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1coc(-c2ccccc2Cl)n1 ZINC000826465821 900706079 /nfs/dbraw/zinc/70/60/79/900706079.db2.gz DVVPTQDFMLJICB-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1coc(-c2ccccc2Cl)n1 ZINC000826465821 900706085 /nfs/dbraw/zinc/70/60/85/900706085.db2.gz DVVPTQDFMLJICB-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCC1(F)F ZINC000574089097 900769310 /nfs/dbraw/zinc/76/93/10/900769310.db2.gz CJWFZUNVQODYLX-SECBINFHSA-N -1 3 390.308 3.544 20 0 GHADHM O=C(c1ccnc(C2CC2)c1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826475150 900842845 /nfs/dbraw/zinc/84/28/45/900842845.db2.gz UYPCTHNTTMATJJ-UHFFFAOYSA-N -1 3 386.415 3.579 20 0 GHADHM O=C(c1ccnc(C2CC2)c1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826475150 900842853 /nfs/dbraw/zinc/84/28/53/900842853.db2.gz UYPCTHNTTMATJJ-UHFFFAOYSA-N -1 3 386.415 3.579 20 0 GHADHM COc1cccc([O-])c1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001144042457 900962441 /nfs/dbraw/zinc/96/24/41/900962441.db2.gz HXVNDMSEUPAIOA-UHFFFAOYSA-N -1 3 389.411 3.880 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000575032475 901095772 /nfs/dbraw/zinc/09/57/72/901095772.db2.gz PYTIMCSBVJRLDQ-NSHDSACASA-N -1 3 395.410 3.643 20 0 GHADHM O=c1nc(CN2CCC[C@@H](c3ncccn3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000886682536 901223242 /nfs/dbraw/zinc/22/32/42/901223242.db2.gz JSTQONPGRSBOLV-CYBMUJFWSA-N -1 3 393.472 3.827 20 0 GHADHM O=c1nc(CN2CCC[C@H](c3ncccn3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000886682537 901223694 /nfs/dbraw/zinc/22/36/94/901223694.db2.gz JSTQONPGRSBOLV-ZDUSSCGKSA-N -1 3 393.472 3.827 20 0 GHADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1cnc(-c2ccccc2)s1 ZINC001186419634 914543917 /nfs/dbraw/zinc/54/39/17/914543917.db2.gz CPUSHPDKCSNXBJ-UHFFFAOYSA-N -1 3 380.441 3.609 20 0 GHADHM COCCC[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000576120639 901696361 /nfs/dbraw/zinc/69/63/61/901696361.db2.gz LPRAFLWNIFKGDN-OAHLLOKOSA-N -1 3 389.883 3.653 20 0 GHADHM CN(C)C(=O)C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc21 ZINC000290174616 914559459 /nfs/dbraw/zinc/55/94/59/914559459.db2.gz YHSWRAVIHNVOEJ-NSHDSACASA-N -1 3 393.270 3.921 20 0 GHADHM CCc1n[n-]c(S(=O)(=O)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000122094893 901726085 /nfs/dbraw/zinc/72/60/85/901726085.db2.gz MMCCONZSYHJPDD-SNVBAGLBSA-N -1 3 380.857 3.519 20 0 GHADHM CCc1nnc(S(=O)(=O)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000122094893 901726098 /nfs/dbraw/zinc/72/60/98/901726098.db2.gz MMCCONZSYHJPDD-SNVBAGLBSA-N -1 3 380.857 3.519 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1-c1ncco1 ZINC000576179039 901763691 /nfs/dbraw/zinc/76/36/91/901763691.db2.gz YREUEMYGOOCEQF-UHFFFAOYSA-N -1 3 375.450 3.877 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2csc(-c3cccc(Cl)c3)n2)n1 ZINC001144392482 901960253 /nfs/dbraw/zinc/96/02/53/901960253.db2.gz CRLPNRMUSKJQIF-UHFFFAOYSA-N -1 3 388.880 3.933 20 0 GHADHM CC(=O)c1ccc(Nc2ccccc2C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001144503461 902284013 /nfs/dbraw/zinc/28/40/13/902284013.db2.gz XIEKLOWJVNJTNZ-INIZCTEOSA-N -1 3 390.443 3.691 20 0 GHADHM [O-]c1cc(F)c(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c(F)c1 ZINC001144550314 902362055 /nfs/dbraw/zinc/36/20/55/902362055.db2.gz HZGSXCHDZFKUPN-MRXNPFEDSA-N -1 3 381.463 3.716 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144553615 902369056 /nfs/dbraw/zinc/36/90/56/902369056.db2.gz KCYXICJSLDYRMT-LJQANCHMSA-N -1 3 378.444 3.751 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001144628752 902531861 /nfs/dbraw/zinc/53/18/61/902531861.db2.gz FPGBZHOKWPQZPK-OAHLLOKOSA-N -1 3 381.369 3.939 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000846281181 902842543 /nfs/dbraw/zinc/84/25/43/902842543.db2.gz UQMAGNBNCDQZBJ-FQEVSTJZSA-N -1 3 383.835 3.618 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000846281182 902842684 /nfs/dbraw/zinc/84/26/84/902842684.db2.gz UQMAGNBNCDQZBJ-HXUWFJFHSA-N -1 3 383.835 3.618 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000846323013 902887799 /nfs/dbraw/zinc/88/77/99/902887799.db2.gz BXSSDSUIPGDPSR-RBZFPXEDSA-N -1 3 394.899 3.813 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1Br ZINC000887566650 902920470 /nfs/dbraw/zinc/92/04/70/902920470.db2.gz RYAXPTXHBWYJCL-UHFFFAOYSA-N -1 3 378.270 3.649 20 0 GHADHM CCc1ccc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000846591669 903076301 /nfs/dbraw/zinc/07/63/01/903076301.db2.gz YQRKHYMRNOOABJ-UHFFFAOYSA-N -1 3 376.497 3.722 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000577746975 903151799 /nfs/dbraw/zinc/15/17/99/903151799.db2.gz NFBHNQZJXFKGSE-QMMMGPOBSA-N -1 3 380.775 3.530 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000578025656 903454833 /nfs/dbraw/zinc/45/48/33/903454833.db2.gz ZMGOKOMLCDDHRM-UHFFFAOYSA-N -1 3 380.423 3.700 20 0 GHADHM O=C(NC[C@H]1CCc2ccccc21)c1c[n-]c2ccc(Br)cc2c1=O ZINC001146662793 903574598 /nfs/dbraw/zinc/57/45/98/903574598.db2.gz SZDGFJPXHBELCR-CYBMUJFWSA-N -1 3 397.272 3.750 20 0 GHADHM CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646635809 914740770 /nfs/dbraw/zinc/74/07/70/914740770.db2.gz CPKMFMGEYNYDLH-UHFFFAOYSA-N -1 3 398.406 3.844 20 0 GHADHM O=S(=O)([N-]c1cccnc1Cl)c1c(Cl)cccc1Br ZINC000302433961 903768878 /nfs/dbraw/zinc/76/88/78/903768878.db2.gz LYHCNQGXWIPKAS-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@@H](CCF)C1 ZINC001147371206 903772001 /nfs/dbraw/zinc/77/20/01/903772001.db2.gz VXOYICLRJFMFGY-NSHDSACASA-N -1 3 386.345 3.639 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C[C@H]1CCC2(CCCC2)O1)C(F)(F)F ZINC001171318369 903945351 /nfs/dbraw/zinc/94/53/51/903945351.db2.gz BIWANKOXTJNXGY-JKSUJKDBSA-N -1 3 382.426 3.588 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000646675135 914766044 /nfs/dbraw/zinc/76/60/44/914766044.db2.gz IASOWAPWZZXEIX-UHFFFAOYSA-N -1 3 392.377 3.684 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2Br)n1 ZINC001186728410 914783394 /nfs/dbraw/zinc/78/33/94/914783394.db2.gz JDPQCHLWUKXCKK-SSDOTTSWSA-N -1 3 397.266 3.532 20 0 GHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cccc(O)c3F)cc2c1C ZINC000578828988 904157531 /nfs/dbraw/zinc/15/75/31/904157531.db2.gz BRVCTTKMGIKACR-UHFFFAOYSA-N -1 3 393.392 3.563 20 0 GHADHM CC(=O)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1[O-] ZINC001148668727 904165663 /nfs/dbraw/zinc/16/56/63/904165663.db2.gz IWVXENSOABSVLF-SFHVURJKSA-N -1 3 398.459 3.591 20 0 GHADHM COC(=O)c1cc2cc(NC(=O)c3cccc(-c4ccccc4)c3[O-])cnc2[nH]1 ZINC001148867038 904235844 /nfs/dbraw/zinc/23/58/44/904235844.db2.gz KZOZFQTXXATLAH-UHFFFAOYSA-N -1 3 387.395 3.974 20 0 GHADHM C[C@@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C(F)(F)F ZINC000579031370 904302581 /nfs/dbraw/zinc/30/25/81/904302581.db2.gz NFOPXDHCWVXSLC-LURJTMIESA-N -1 3 388.147 3.950 20 0 GHADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cc2c(cc1Br)OCCCO2 ZINC000579364528 904542449 /nfs/dbraw/zinc/54/24/49/904542449.db2.gz MIAAKCASYYPMDW-CQSZACIVSA-N -1 3 386.286 3.542 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)C)c(F)c1 ZINC001186810256 914826480 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GHADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187777691 904837833 /nfs/dbraw/zinc/83/78/33/904837833.db2.gz FRTLGZFPFMMNQO-UHFFFAOYSA-N -1 3 378.413 3.799 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC000826672038 904867542 /nfs/dbraw/zinc/86/75/42/904867542.db2.gz VRDDUDUMXDCNQF-UHFFFAOYSA-N -1 3 385.258 3.541 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000646818834 914865013 /nfs/dbraw/zinc/86/50/13/914865013.db2.gz BTMPCSCERFFESF-HNNXBMFYSA-N -1 3 388.336 3.722 20 0 GHADHM C[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC001171870299 905118382 /nfs/dbraw/zinc/11/83/82/905118382.db2.gz QNJYCFVDEDGEEV-LBPRGKRZSA-N -1 3 389.498 3.544 20 0 GHADHM Cc1ccc(-c2ccc(CN3CCC[C@H](n4cc(C(=O)[O-])nn4)C3)s2)cc1 ZINC000901525789 921204206 /nfs/dbraw/zinc/20/42/06/921204206.db2.gz RRSNPKLBCWAIII-INIZCTEOSA-N -1 3 382.489 3.850 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cc2)cc1Cl ZINC001212698525 906103813 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/nfs/dbraw/zinc/84/62/43/906846243.db2.gz OXRJUOKBHREXIS-UHFFFAOYSA-N -1 3 388.221 3.816 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(N2CCCCC2)c1)OCC ZINC001174302653 906947981 /nfs/dbraw/zinc/94/79/81/906947981.db2.gz ZVPAFNSIAWXBAG-UHFFFAOYSA-N -1 3 386.496 3.858 20 0 GHADHM C/C=C/C[C@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000629872138 907041267 /nfs/dbraw/zinc/04/12/67/907041267.db2.gz LDBFTZYFZNLDOM-BWPKMQGJSA-N -1 3 383.448 3.759 20 0 GHADHM C[C@@]1(C(F)(F)F)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC001174587463 907101814 /nfs/dbraw/zinc/10/18/14/907101814.db2.gz APNMDWUMZPGBPV-FQEVSTJZSA-N -1 3 393.405 3.971 20 0 GHADHM FC(F)(F)c1cc(Br)c2nc([N-]c3cnc(C4CC4)nc3)nn2c1 ZINC001174612624 907135888 /nfs/dbraw/zinc/13/58/88/907135888.db2.gz NEOLPUASDIYTDN-UHFFFAOYSA-N -1 3 399.174 3.922 20 0 GHADHM COc1ccc2ccc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)cc2c1 ZINC001174816740 907215632 /nfs/dbraw/zinc/21/56/32/907215632.db2.gz LEVPYDFZZWKULM-UHFFFAOYSA-N -1 3 386.411 3.644 20 0 GHADHM CN(C)C(=O)CC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000182592337 907235716 /nfs/dbraw/zinc/23/57/16/907235716.db2.gz DEJRTIHQOCWKHD-UHFFFAOYSA-N -1 3 382.460 3.515 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)C[C@@H](C)O1 ZINC000299433239 921309355 /nfs/dbraw/zinc/30/93/55/921309355.db2.gz FHUANXBCTSRMNS-HUUCEWRRSA-N -1 3 377.444 3.806 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)CSCc3nc(C)cc(=O)[n-]3)ccc2c1 ZINC000773450041 907352313 /nfs/dbraw/zinc/35/23/13/907352313.db2.gz WNFAELYVUGPSSZ-UHFFFAOYSA-N -1 3 397.500 3.544 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001175196332 907408399 /nfs/dbraw/zinc/40/83/99/907408399.db2.gz XOHKSTYKORIDRI-QWHCGFSZSA-N -1 3 398.463 3.569 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c21 ZINC001175432280 907550332 /nfs/dbraw/zinc/55/03/32/907550332.db2.gz YKSODWRDMVEEJE-UHFFFAOYSA-N -1 3 377.408 3.743 20 0 GHADHM O=C([O-])CC[C@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000901553928 921354057 /nfs/dbraw/zinc/35/40/57/921354057.db2.gz RVLRQWCTSYZNAP-CQSZACIVSA-N -1 3 392.297 3.712 20 0 GHADHM CCN(CC)C(=O)c1ccc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001176071525 907900561 /nfs/dbraw/zinc/90/05/61/907900561.db2.gz RCTRGDXGTJJHLR-UHFFFAOYSA-N -1 3 382.233 3.914 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(F)cc3[O-])cc2)CC1 ZINC001176377345 908084704 /nfs/dbraw/zinc/08/47/04/908084704.db2.gz WANRZQFGGSCDLR-UHFFFAOYSA-N -1 3 388.443 3.727 20 0 GHADHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000193165429 908124369 /nfs/dbraw/zinc/12/43/69/908124369.db2.gz FTHORAPRTRZKEC-AWEZNQCLSA-N -1 3 380.213 3.977 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000187900893 908153687 /nfs/dbraw/zinc/15/36/87/908153687.db2.gz JGNFBDXUBXSWES-MRXNPFEDSA-N -1 3 394.471 3.860 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1C(C)C ZINC000193446427 908393258 /nfs/dbraw/zinc/39/32/58/908393258.db2.gz YEPMKBUABJPZLO-UHFFFAOYSA-N -1 3 390.505 3.911 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001177649655 908700616 /nfs/dbraw/zinc/70/06/16/908700616.db2.gz QYYUHPYFZBJOMS-NSIKDUERSA-N -1 3 399.319 3.844 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC001177719710 908706437 /nfs/dbraw/zinc/70/64/37/908706437.db2.gz CYCIADZNXCBCJQ-QGZVFWFLSA-N -1 3 388.423 3.753 20 0 GHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001177755104 908737862 /nfs/dbraw/zinc/73/78/62/908737862.db2.gz WMSXMFOYMKHWLD-INIZCTEOSA-N -1 3 394.487 3.712 20 0 GHADHM O=C(COc1nc(Cl)c(Cl)cc1Cl)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001177760827 908742366 /nfs/dbraw/zinc/74/23/66/908742366.db2.gz UJZGMALKMCBRKV-UHFFFAOYSA-N -1 3 387.610 3.641 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1ccccc1-c1cccnc1 ZINC001177973911 908855075 /nfs/dbraw/zinc/85/50/75/908855075.db2.gz HBCTWEWWORTAFZ-UHFFFAOYSA-N -1 3 380.375 3.561 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Br)c3ccccc3c2)c(=O)[n-]1 ZINC001178153132 908911803 /nfs/dbraw/zinc/91/18/03/908911803.db2.gz SCIYQJZOIATKKX-UHFFFAOYSA-N -1 3 386.249 3.896 20 0 GHADHM CCO[N-]C(=O)CNCc1ccccc1Oc1ccc(Br)cc1F ZINC001179066406 909373299 /nfs/dbraw/zinc/37/32/99/909373299.db2.gz ILWCFJKYGOCWLS-UHFFFAOYSA-N -1 3 397.244 3.538 20 0 GHADHM O=C([N-]N1CCCC1=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000795227832 909373911 /nfs/dbraw/zinc/37/39/11/909373911.db2.gz TYXZFZXNVCURQD-UHFFFAOYSA-N -1 3 379.243 3.840 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)c2)c1C ZINC001179075508 909375363 /nfs/dbraw/zinc/37/53/63/909375363.db2.gz CKUZUXGGANJERT-UHFFFAOYSA-N -1 3 395.463 3.592 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)c2)c1C ZINC001179075508 909375382 /nfs/dbraw/zinc/37/53/82/909375382.db2.gz CKUZUXGGANJERT-UHFFFAOYSA-N -1 3 395.463 3.592 20 0 GHADHM C[C@H](NC(=O)c1csc(Cc2ccccc2F)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182809 909398597 /nfs/dbraw/zinc/39/85/97/909398597.db2.gz KLZJSQOSAAYARK-QMMMGPOBSA-N -1 3 399.373 3.501 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(C)c(Br)c(Cl)c2)n1 ZINC000636110820 909431079 /nfs/dbraw/zinc/43/10/79/909431079.db2.gz MPJFBSUPADEQHU-UHFFFAOYSA-N -1 3 398.688 3.880 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)c2c1 ZINC000636111201 909431132 /nfs/dbraw/zinc/43/11/32/909431132.db2.gz QICANPYEXSEGOC-UHFFFAOYSA-N -1 3 392.459 3.590 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000636115752 909435028 /nfs/dbraw/zinc/43/50/28/909435028.db2.gz TZIWLBRVORYBGU-HNNXBMFYSA-N -1 3 392.459 3.691 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2nc3cc(Cl)ccc3s2)n1 ZINC000636114895 909435234 /nfs/dbraw/zinc/43/52/34/909435234.db2.gz KKMGFUHWSWDNIV-UHFFFAOYSA-N -1 3 390.896 3.738 20 0 GHADHM COCc1c(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)sc2cccc(F)c21 ZINC000636115473 909437218 /nfs/dbraw/zinc/43/72/18/909437218.db2.gz ZFSAOBSXSJCANF-UHFFFAOYSA-N -1 3 389.452 3.656 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000636317362 909535325 /nfs/dbraw/zinc/53/53/25/909535325.db2.gz DOMMEZDNWPCIHS-UHFFFAOYSA-N -1 3 389.455 3.959 20 0 GHADHM CCCc1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cnn1-c1ccccc1 ZINC000636320187 909539159 /nfs/dbraw/zinc/53/91/59/909539159.db2.gz ITDUCFLULGWZAS-UHFFFAOYSA-N -1 3 391.475 3.518 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000636321865 909543294 /nfs/dbraw/zinc/54/32/94/909543294.db2.gz KOKMCCGRGDXRBB-VVUBSENTSA-N -1 3 383.414 3.681 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000636358859 909561838 /nfs/dbraw/zinc/56/18/38/909561838.db2.gz NAUPJDGPWAJFLL-SECBINFHSA-N -1 3 379.310 3.939 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(CN3CCCC3)n2-c2ccccc2)n1 ZINC000268312261 909829501 /nfs/dbraw/zinc/82/95/01/909829501.db2.gz HWXKZGKCXHQKGL-HNNXBMFYSA-N -1 3 396.520 3.520 20 0 GHADHM O=C(Cc1coc2c1ccc(F)c2F)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180226535 910026170 /nfs/dbraw/zinc/02/61/70/910026170.db2.gz ZNSOLAPIAXBJMI-AULYBMBSSA-N -1 3 387.386 3.592 20 0 GHADHM O=C([O-])[C@@H](CC1CCOCC1)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901772183 921552148 /nfs/dbraw/zinc/55/21/48/921552148.db2.gz IWVSXJIKZLVREU-MRXNPFEDSA-N -1 3 380.897 3.823 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c1Cl ZINC000269153305 910162843 /nfs/dbraw/zinc/16/28/43/910162843.db2.gz SZCUSZLDHDCKSS-IAQYHMDHSA-N -1 3 396.361 3.635 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccc(O)cc23)c([O-])c1 ZINC001180664983 910291544 /nfs/dbraw/zinc/29/15/44/910291544.db2.gz YNTZFUVYORHLBI-UHFFFAOYSA-N -1 3 382.416 3.716 20 0 GHADHM CC(=O)Nc1cccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1 ZINC001180833834 910369732 /nfs/dbraw/zinc/36/97/32/910369732.db2.gz XJKHOXOAIPDPJH-UHFFFAOYSA-N -1 3 381.461 3.616 20 0 GHADHM COC(=O)c1ccccc1CCC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001181159614 910578173 /nfs/dbraw/zinc/57/81/73/910578173.db2.gz ZUTWAKRJFGMOJK-UHFFFAOYSA-N -1 3 399.443 3.705 20 0 GHADHM Cc1ccncc1[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000773942023 910955195 /nfs/dbraw/zinc/95/51/95/910955195.db2.gz IKOWHCSAKYRVQW-ZDUSSCGKSA-N -1 3 394.468 3.524 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640295204 910956462 /nfs/dbraw/zinc/95/64/62/910956462.db2.gz QUEDNGUDBXCOAJ-VIFPVBQESA-N -1 3 378.782 3.565 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@H](C2CCCCC2)C1 ZINC000640303199 910960462 /nfs/dbraw/zinc/96/04/62/910960462.db2.gz QNQWDDJNFQRSTI-LBPRGKRZSA-N -1 3 378.826 3.955 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)[n-]1 ZINC000640308603 910964065 /nfs/dbraw/zinc/96/40/65/910964065.db2.gz PXJLJAFXWJFUCJ-ZDUSSCGKSA-N -1 3 383.677 3.627 20 0 GHADHM CC[C@@H](CSC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000271695874 911017353 /nfs/dbraw/zinc/01/73/53/911017353.db2.gz GBSUUQULLVRJSO-AWEZNQCLSA-N -1 3 399.944 3.547 20 0 GHADHM CC(=O)N1CCC[C@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)C1 ZINC000273895204 911090501 /nfs/dbraw/zinc/09/05/01/911090501.db2.gz NUAPDEMPQONNQA-SFHVURJKSA-N -1 3 377.444 3.759 20 0 GHADHM CCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1OC ZINC000641984232 911644992 /nfs/dbraw/zinc/64/49/92/911644992.db2.gz AMBSTCZARFOWJY-UHFFFAOYSA-N -1 3 392.477 3.633 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@@H](CNCc1ncc(Br)cc1F)CCC2 ZINC000901882803 921687116 /nfs/dbraw/zinc/68/71/16/921687116.db2.gz VPOOYRBVCWSGAN-CYBMUJFWSA-N -1 3 393.256 3.891 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCc2ccccc2)c([O-])c1 ZINC001182776101 912043010 /nfs/dbraw/zinc/04/30/10/912043010.db2.gz GQTLELPEILFXNS-UHFFFAOYSA-N -1 3 399.443 3.810 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1c1ccc(Cl)cc1 ZINC000901897410 921714322 /nfs/dbraw/zinc/71/43/22/921714322.db2.gz DJSHKOBQZJPAAO-BBWFWOEESA-N -1 3 392.908 3.948 20 0 GHADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1 ZINC001182864192 912088838 /nfs/dbraw/zinc/08/88/38/912088838.db2.gz TURUKOMEKNIGEC-UHFFFAOYSA-N -1 3 378.428 3.539 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)o2)C[C@H]1c1ccc(Br)cc1 ZINC000901897144 921714516 /nfs/dbraw/zinc/71/45/16/921714516.db2.gz MWCZYBAZEOYHEY-UONOGXRCSA-N -1 3 384.657 3.996 20 0 GHADHM Cc1nc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc(=O)[n-]1 ZINC001182923649 912109760 /nfs/dbraw/zinc/10/97/60/912109760.db2.gz SOXYBOXNUQSPHX-ZCFIWIBFSA-N -1 3 376.627 3.857 20 0 GHADHM Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187006568 914935835 /nfs/dbraw/zinc/93/58/35/914935835.db2.gz CAUHGZLNQUODDW-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187006568 914935848 /nfs/dbraw/zinc/93/58/48/914935848.db2.gz CAUHGZLNQUODDW-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM O=C(NCCc1cccc(Oc2ccccc2)c1)c1ccccc1-c1nnn[n-]1 ZINC001187006886 914936572 /nfs/dbraw/zinc/93/65/72/914936572.db2.gz LACMFWNUQYIUJJ-UHFFFAOYSA-N -1 3 385.427 3.632 20 0 GHADHM O=C(NCCc1cccc(Oc2ccccc2)c1)c1ccccc1-c1nn[n-]n1 ZINC001187006886 914936590 /nfs/dbraw/zinc/93/65/90/914936590.db2.gz LACMFWNUQYIUJJ-UHFFFAOYSA-N -1 3 385.427 3.632 20 0 GHADHM CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)c3ccccc3-c3nnn[n-]3)C2)cc1 ZINC001187008014 914938285 /nfs/dbraw/zinc/93/82/85/914938285.db2.gz AQTISFPFZINTFU-MRXNPFEDSA-N -1 3 391.475 3.674 20 0 GHADHM CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)c3ccccc3-c3nn[n-]n3)C2)cc1 ZINC001187008014 914938297 /nfs/dbraw/zinc/93/82/97/914938297.db2.gz AQTISFPFZINTFU-MRXNPFEDSA-N -1 3 391.475 3.674 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)Nc2ccc(Br)cc2Cl)on1 ZINC001187313632 915188610 /nfs/dbraw/zinc/18/86/10/915188610.db2.gz VJZYFVTUSDIJLZ-UHFFFAOYSA-N -1 3 388.605 3.911 20 0 GHADHM NC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2Cl)c([O-])c1 ZINC001187339741 915207850 /nfs/dbraw/zinc/20/78/50/915207850.db2.gz QJIJTIIARFUVNK-UHFFFAOYSA-N -1 3 384.617 3.551 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2cc(CN3CCCC3)on2)s1)c1ccccc1 ZINC000291763706 915354379 /nfs/dbraw/zinc/35/43/79/915354379.db2.gz UXIYQZDEMUREKM-UHFFFAOYSA-N -1 3 397.504 3.700 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccnc(-c4cccc(Cl)c4)n3)C2)n1 ZINC001187600773 915358791 /nfs/dbraw/zinc/35/87/91/915358791.db2.gz ZHAHBLTYVWPFNI-INIZCTEOSA-N -1 3 396.882 3.682 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)CCc2cccc3ccccc32)nc1C ZINC001187617468 915386142 /nfs/dbraw/zinc/38/61/42/915386142.db2.gz VEYCTINVFXSESC-UHFFFAOYSA-N -1 3 375.881 3.884 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1nc(Cl)cnc1Cl ZINC001187617229 915386923 /nfs/dbraw/zinc/38/69/23/915386923.db2.gz PONGOGCGPVXQGL-UHFFFAOYSA-N -1 3 382.272 3.921 20 0 GHADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800179 915390127 /nfs/dbraw/zinc/39/01/27/915390127.db2.gz PSGNGWAGAPLFPU-UHFFFAOYSA-N -1 3 383.795 3.543 20 0 GHADHM CCOCc1ccccc1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000647895230 915429348 /nfs/dbraw/zinc/42/93/48/915429348.db2.gz MOPAYDALAIJBGS-UHFFFAOYSA-N -1 3 388.514 3.825 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC001187801445 915522176 /nfs/dbraw/zinc/52/21/76/915522176.db2.gz SBDHBJVIWOYWLA-VHSXEESVSA-N -1 3 387.370 3.620 20 0 GHADHM Cc1ccc(Cl)c(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1F ZINC001187974705 915655090 /nfs/dbraw/zinc/65/50/90/915655090.db2.gz LSDPQMJMNUOCHB-UHFFFAOYSA-N -1 3 383.659 3.968 20 0 GHADHM Cc1ccncc1C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188198151 915806885 /nfs/dbraw/zinc/80/68/85/915806885.db2.gz ZJDVBJPZUFEBRG-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[C@H]1c1ccccc1 ZINC000648747376 915855138 /nfs/dbraw/zinc/85/51/38/915855138.db2.gz ITEUKWWNIFYTGN-ICSRJNTNSA-N -1 3 378.472 3.607 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000649007075 915982060 /nfs/dbraw/zinc/98/20/60/915982060.db2.gz YJFNBDCOYAKQMG-OAQYLSRUSA-N -1 3 394.519 3.548 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001188517291 916001682 /nfs/dbraw/zinc/00/16/82/916001682.db2.gz ZFLAFKRAHOIQNB-HNNXBMFYSA-N -1 3 389.377 3.614 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C[C@H]1OC ZINC001188499377 916016559 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20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)c1 ZINC001189232496 916482395 /nfs/dbraw/zinc/48/23/95/916482395.db2.gz QCXPDXCKOOEQLT-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM Cc1cc(NC([O-])=C(C[C@H]2CCCO2)C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000649901066 916510118 /nfs/dbraw/zinc/51/01/18/916510118.db2.gz FTCHGHKMKQHDFT-CVEARBPZSA-N -1 3 381.398 3.597 20 0 GHADHM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1 ZINC001189316678 916548352 /nfs/dbraw/zinc/54/83/52/916548352.db2.gz UMQXVTYQKIHIGN-UHFFFAOYSA-N -1 3 387.379 3.531 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(Cl)nc(C(F)(F)F)c1 ZINC001189426637 916628636 /nfs/dbraw/zinc/62/86/36/916628636.db2.gz WZZLAAQKYKCWPJ-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cc(-c2ccccn2)[nH]n1 ZINC001189463697 916665535 /nfs/dbraw/zinc/66/55/35/916665535.db2.gz DCJNRVMAYHZLEG-UHFFFAOYSA-N -1 3 396.790 3.910 20 0 GHADHM Cc1csc([C@H]([N-]C(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)C(F)(F)F)n1 ZINC000650062631 916692131 /nfs/dbraw/zinc/69/21/31/916692131.db2.gz YUJHUEDULFILMJ-UTLUCORTSA-N -1 3 390.349 3.919 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cc(Cl)ccc1CO ZINC001189535553 916731178 /nfs/dbraw/zinc/73/11/78/916731178.db2.gz MBINEMCKDWITCB-UHFFFAOYSA-N -1 3 379.787 3.793 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)c(F)c1F ZINC001189655467 916816105 /nfs/dbraw/zinc/81/61/05/916816105.db2.gz HJYPGFPRYLARFS-CQSZACIVSA-N -1 3 388.867 3.508 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(Cl)c(OC)c1 ZINC001189689621 916829464 /nfs/dbraw/zinc/82/94/64/916829464.db2.gz DNNNXNMILVKCLF-UHFFFAOYSA-N -1 3 377.796 3.577 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000650293950 916861538 /nfs/dbraw/zinc/86/15/38/916861538.db2.gz BIDFPHWTOPBCJH-UHFFFAOYSA-N -1 3 377.384 3.709 20 0 GHADHM CN1Cc2c(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cccc2NC1=O ZINC001189766475 916901457 /nfs/dbraw/zinc/90/14/57/916901457.db2.gz JXHYOQKFPXRHQD-UHFFFAOYSA-N -1 3 381.310 3.520 20 0 GHADHM Cc1cc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])ccc1N1CCOCC1 ZINC001189765974 916901540 /nfs/dbraw/zinc/90/15/40/916901540.db2.gz GJCSWOSXQNFZOV-UHFFFAOYSA-N -1 3 396.365 3.688 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCCC2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189957297 917021370 /nfs/dbraw/zinc/02/13/70/917021370.db2.gz MOZVENGQWWJUTM-UHFFFAOYSA-N -1 3 389.374 3.641 20 0 GHADHM C[C@@H]1Cc2cccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)c2O1 ZINC001190016475 917034155 /nfs/dbraw/zinc/03/41/55/917034155.db2.gz OICMUPWGMIHBNP-HWPZZCPQSA-N -1 3 389.370 3.731 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000650504007 917039003 /nfs/dbraw/zinc/03/90/03/917039003.db2.gz MLTDFLGZNCLVQX-OAQYLSRUSA-N -1 3 394.515 3.654 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2cn1)c1cc(C(F)(F)F)ccc1F ZINC001190339115 917270163 /nfs/dbraw/zinc/27/01/63/917270163.db2.gz HLDRRYDVWJTYFU-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM Cc1c(Br)cccc1C[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190413550 917320197 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CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000652459714 917903964 /nfs/dbraw/zinc/90/39/64/917903964.db2.gz HVOYMBNHTZZFLA-OAHLLOKOSA-N -1 3 384.259 3.563 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOc1cc(C)cc(C)c1)CC2 ZINC000652453595 917904049 /nfs/dbraw/zinc/90/40/49/917904049.db2.gz YGHRFQXUJDYZNG-FQEVSTJZSA-N -1 3 399.487 3.774 20 0 GHADHM O=C([O-])[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@H]1C1CC1 ZINC000652514774 917918375 /nfs/dbraw/zinc/91/83/75/917918375.db2.gz AVKYOAIVUAJVLU-QWHCGFSZSA-N -1 3 388.689 3.524 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c1Br ZINC001191438652 918003276 /nfs/dbraw/zinc/00/32/76/918003276.db2.gz DFYBXVOLSGDAMF-LURJTMIESA-N -1 3 394.278 3.994 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccccc1C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001191544400 918052971 /nfs/dbraw/zinc/05/29/71/918052971.db2.gz MDEVEVGYKRNTGT-UHFFFAOYSA-N -1 3 382.420 3.892 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(=O)n(C(C)C)c2)c1Cl ZINC001191776262 918180090 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GHADHM C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc2ccccc21 ZINC000115646683 919461585 /nfs/dbraw/zinc/46/15/85/919461585.db2.gz NHSDZCPRYLGJER-CQSZACIVSA-N -1 3 389.411 3.857 20 0 GHADHM C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc2ccccc21 ZINC000115646683 919461592 /nfs/dbraw/zinc/46/15/92/919461592.db2.gz NHSDZCPRYLGJER-CQSZACIVSA-N -1 3 389.411 3.857 20 0 GHADHM COc1cc(OC)cc(C(=O)N[N-]C(=O)c2sccc2-c2ccccc2)c1 ZINC000017058546 919470304 /nfs/dbraw/zinc/47/03/04/919470304.db2.gz MYSMQGVPRUNSHT-UHFFFAOYSA-N -1 3 382.441 3.507 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000115877522 919477069 /nfs/dbraw/zinc/47/70/69/919477069.db2.gz YARHEDPNRATNIV-KRWDZBQOSA-N -1 3 397.855 3.695 20 0 GHADHM CCn1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)c(C)n1 ZINC000900047621 919771545 /nfs/dbraw/zinc/77/15/45/919771545.db2.gz QLUISOGIGJNLGG-INIZCTEOSA-N -1 3 380.286 3.670 20 0 GHADHM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc(F)cc2[n-]nnc21 ZINC000800257688 919797009 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20 0 GHADHM O=C([O-])/C=C\c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000902256472 922036412 /nfs/dbraw/zinc/03/64/12/922036412.db2.gz PYOXNUDNYIDWBW-WBTMPAOCSA-N -1 3 380.366 3.765 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000902425960 922184326 /nfs/dbraw/zinc/18/43/26/922184326.db2.gz RMNHDKWQVHBJNM-QYOLQKOISA-N -1 3 385.407 3.992 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000902568264 922305053 /nfs/dbraw/zinc/30/50/53/922305053.db2.gz SVZKLKNMWMDFAM-UHFFFAOYSA-N -1 3 380.366 3.842 20 0 GHADHM COc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2F)c(C(F)(F)F)n1 ZINC000802757141 922385037 /nfs/dbraw/zinc/38/50/37/922385037.db2.gz SANFDGRXUKYILB-CMDGGOBGSA-N -1 3 376.331 3.661 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C[C@@H](C)O)c3ccccc3)nc2)n1 ZINC000368120287 922487889 /nfs/dbraw/zinc/48/78/89/922487889.db2.gz AQGQUQRHSYISKC-CRAIPNDOSA-N -1 3 378.476 3.773 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl)C1CCOCC1 ZINC000902902457 922588380 /nfs/dbraw/zinc/58/83/80/922588380.db2.gz QUPGWQVJKSYKTQ-QMMMGPOBSA-N -1 3 386.748 3.777 20 0 GHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1 ZINC000368732082 922832885 /nfs/dbraw/zinc/83/28/85/922832885.db2.gz IIQRJWZAXFOBTE-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccc(F)cc1 ZINC000368799419 922881680 /nfs/dbraw/zinc/88/16/80/922881680.db2.gz XUEITAWIWRVRKI-UHFFFAOYSA-N -1 3 383.408 3.669 20 0 GHADHM CC(C)SCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000803482896 923032777 /nfs/dbraw/zinc/03/27/77/923032777.db2.gz CWPLNSWTMSLMLU-UHFFFAOYSA-N -1 3 397.493 3.925 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(CC[S@](=O)c4ccccc4)CC3)c2c1 ZINC000903636246 923144905 /nfs/dbraw/zinc/14/49/05/923144905.db2.gz XMSRXNJBOWSYBD-NDEPHWFRSA-N -1 3 396.512 3.853 20 0 GHADHM O=C([O-])[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1Br ZINC000903917652 923397883 /nfs/dbraw/zinc/39/78/83/923397883.db2.gz YDHRKKRCAYCTMG-TVYUQYBPSA-N -1 3 396.203 3.664 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903944848 923424888 /nfs/dbraw/zinc/42/48/88/923424888.db2.gz SVBPTJQYYSEMJF-ZMYBRWDISA-N -1 3 390.867 3.839 20 0 GHADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000749146450 924050621 /nfs/dbraw/zinc/05/06/21/924050621.db2.gz VNFZCCAOLIAORP-UHFFFAOYSA-N -1 3 375.490 3.516 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccncc2[O-])cc1 ZINC000409450931 924636011 /nfs/dbraw/zinc/63/60/11/924636011.db2.gz BOJMPMBIHKDKOF-UHFFFAOYSA-N -1 3 387.439 3.937 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@H]1C(F)(F)F ZINC000678313215 924720327 /nfs/dbraw/zinc/72/03/27/924720327.db2.gz UBSDOHQZAMLSNT-SFHVURJKSA-N -1 3 379.378 3.581 20 0 GHADHM CCCCn1ncc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1C ZINC000827142290 924890913 /nfs/dbraw/zinc/89/09/13/924890913.db2.gz BLALFOKKIUVPQX-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409824653 925033273 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CCc1c(Cl)ncnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000827411481 925456907 /nfs/dbraw/zinc/45/69/07/925456907.db2.gz WDOXANRAXSKAQG-UHFFFAOYSA-N -1 3 395.290 3.907 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000372536252 925518279 /nfs/dbraw/zinc/51/82/79/925518279.db2.gz CPQJKEDSFXNVKX-UHFFFAOYSA-N -1 3 393.472 3.937 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000681047241 925706932 /nfs/dbraw/zinc/70/69/32/925706932.db2.gz YHGXCYCTQJOBFS-HNNXBMFYSA-N -1 3 382.357 3.554 20 0 GHADHM COc1ccnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c1 ZINC000681647346 925866497 /nfs/dbraw/zinc/86/64/97/925866497.db2.gz QTFFQRBGCUHEOY-UHFFFAOYSA-N -1 3 399.863 3.870 20 0 GHADHM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)C1 ZINC000373443868 926131330 /nfs/dbraw/zinc/13/13/30/926131330.db2.gz ORGQLPJQPCYADD-MRXNPFEDSA-N -1 3 380.488 3.656 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@]4(C3)OCc3ccccc34)nc2)n1 ZINC000373461220 926154850 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Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)cc1F ZINC000749834689 927304347 /nfs/dbraw/zinc/30/43/47/927304347.db2.gz IEYBGERTXBJKMS-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000749935103 927357902 /nfs/dbraw/zinc/35/79/02/927357902.db2.gz BCCDOPJVSCZQPE-KRWDZBQOSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc3cc(Cl)c(Cl)cc3n2C)c(=O)[n-]1 ZINC000412517988 927530997 /nfs/dbraw/zinc/53/09/97/927530997.db2.gz JTPKDEJAKZMZIN-UHFFFAOYSA-N -1 3 394.262 3.564 20 0 GHADHM CC(C)[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(Cl)c1 ZINC000750438461 927631329 /nfs/dbraw/zinc/63/13/29/927631329.db2.gz DHAIKZYKLZROEH-INIZCTEOSA-N -1 3 379.865 3.641 20 0 GHADHM C[C@H]1CC(C)(C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000412778349 927832567 /nfs/dbraw/zinc/83/25/67/927832567.db2.gz IWCPXVKRXVEUPO-AWEZNQCLSA-N -1 3 390.480 3.887 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000751222866 928078353 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3.855 20 0 GHADHM CSCc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000544256872 928986395 /nfs/dbraw/zinc/98/63/95/928986395.db2.gz JRBQASAIVDZHHE-UHFFFAOYSA-N -1 3 375.475 3.638 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1F ZINC000467923726 929596165 /nfs/dbraw/zinc/59/61/65/929596165.db2.gz ZYJWXXQJGZPBNM-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1nn(C)c(Sc2ccccc2)c1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000469153901 929636840 /nfs/dbraw/zinc/63/68/40/929636840.db2.gz XRSQMUWCDVDROW-UHFFFAOYSA-N -1 3 389.484 3.944 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)nc1C ZINC000469177679 929658535 /nfs/dbraw/zinc/65/85/35/929658535.db2.gz HUKJEFIQQUJDMO-GFCCVEGCSA-N -1 3 394.468 3.673 20 0 GHADHM CCc1cc2c(CN(C)Cc3c(C)nc4sccn34)cc(=O)oc2cc1[O-] ZINC000757350564 929697162 /nfs/dbraw/zinc/69/71/62/929697162.db2.gz GPHHFMNHVBEHSW-UHFFFAOYSA-N -1 3 383.473 3.711 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3nc(C4CC4)no3)cc2)cc1 ZINC000546316902 930049630 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COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H]3CC[C@H](C)C3)c2)c1 ZINC000781608451 930903727 /nfs/dbraw/zinc/90/37/27/930903727.db2.gz QSUQYCRGWPBJBG-ZFWWWQNUSA-N -1 3 398.459 3.580 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4nsnc4c3)nc(=O)c2c1C ZINC000781674851 930935182 /nfs/dbraw/zinc/93/51/82/930935182.db2.gz PSCOFCZJHOMVTO-MRVPVSSYSA-N -1 3 386.458 3.936 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccnc(OC(C)C)c2)[nH][n-]1 ZINC000470937324 931044490 /nfs/dbraw/zinc/04/44/90/931044490.db2.gz LGEHAHPAWURKTD-UHFFFAOYSA-N -1 3 386.839 3.595 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(Br)ccc1F ZINC000782474673 931235604 /nfs/dbraw/zinc/23/56/04/931235604.db2.gz LALOLMQUERQAQK-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1cc2sccc2c([O-])c1 ZINC000924171615 931252213 /nfs/dbraw/zinc/25/22/13/931252213.db2.gz XSXVWTHMMVKGAP-OAHLLOKOSA-N -1 3 375.490 3.703 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4ccco4)cc3F)ccc2o1 ZINC000782542797 931263660 /nfs/dbraw/zinc/26/36/60/931263660.db2.gz XNAQUOOWRIPNNN-UHFFFAOYSA-N -1 3 385.372 3.993 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@H]2CCCC[C@@H]12 ZINC000782810141 931339858 /nfs/dbraw/zinc/33/98/58/931339858.db2.gz LGXXTAUUHCJIKF-KMFMINBZSA-N -1 3 396.528 3.553 20 0 GHADHM COc1ccc(C2(C(=O)OCc3noc(-c4ccccc4[O-])n3)CCC2)cc1 ZINC000783359001 931526322 /nfs/dbraw/zinc/52/63/22/931526322.db2.gz VZPCSHDXNZSDRA-UHFFFAOYSA-N -1 3 380.400 3.616 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)s1 ZINC000783375532 931529077 /nfs/dbraw/zinc/52/90/77/931529077.db2.gz UNPKSBWXYUPVSH-UHFFFAOYSA-N -1 3 392.485 3.831 20 0 GHADHM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000557668246 931602507 /nfs/dbraw/zinc/60/25/07/931602507.db2.gz SRBPXGJFGGMRGE-UHFFFAOYSA-N -1 3 396.422 3.630 20 0 GHADHM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cc2O1 ZINC000783805768 931662287 /nfs/dbraw/zinc/66/22/87/931662287.db2.gz COPQVWVZLISEQW-UHFFFAOYSA-N -1 3 385.388 3.639 20 0 GHADHM Cc1ccc2c(CCC(=O)OCc3noc(-c4ccccc4[O-])n3)c[nH]c2c1 ZINC000783948481 931727742 /nfs/dbraw/zinc/72/77/42/931727742.db2.gz WVRKIAZWPXBQQA-UHFFFAOYSA-N -1 3 377.400 3.908 20 0 GHADHM CC/C(=C\C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccc(OC)cc1 ZINC000784304266 931850670 /nfs/dbraw/zinc/85/06/70/931850670.db2.gz GCDAKEZMYUYTHA-WYMLVPIESA-N -1 3 380.400 3.988 20 0 GHADHM COc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(OCC2CC2)c1 ZINC000784893744 932020419 /nfs/dbraw/zinc/02/04/19/932020419.db2.gz CEMHLXOSUZILJE-UHFFFAOYSA-N -1 3 396.399 3.597 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1Cl ZINC000559142357 932460081 /nfs/dbraw/zinc/46/00/81/932460081.db2.gz FCDVDXCFKCEIGT-COLVAYQJSA-N -1 3 376.305 3.619 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000777619209 932503166 /nfs/dbraw/zinc/50/31/66/932503166.db2.gz FBCVIUCQQXKKGM-UHFFFAOYSA-N -1 3 399.428 3.853 20 0 GHADHM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000626317056 932547801 /nfs/dbraw/zinc/54/78/01/932547801.db2.gz FZYDCFGPHINVGH-ZDTYVGOBSA-N -1 3 395.525 3.667 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)n[n-]2)cc1)c1ccccc1 ZINC000798276484 932590271 /nfs/dbraw/zinc/59/02/71/932590271.db2.gz CWZMWXNJYJWDNC-UHFFFAOYSA-N -1 3 386.205 3.644 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)[n-]n2)cc1)c1ccccc1 ZINC000798276484 932590276 /nfs/dbraw/zinc/59/02/76/932590276.db2.gz CWZMWXNJYJWDNC-UHFFFAOYSA-N -1 3 386.205 3.644 20 0 GHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798402058 932631927 /nfs/dbraw/zinc/63/19/27/932631927.db2.gz MZRLYIFGGFIBAJ-CVEARBPZSA-N -1 3 391.478 3.691 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799021583 932853256 /nfs/dbraw/zinc/85/32/56/932853256.db2.gz HCTCTAMMNZZJGX-UHFFFAOYSA-N -1 3 398.469 3.834 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799020269 932853378 /nfs/dbraw/zinc/85/33/78/932853378.db2.gz HFRYKYKXTUPBHA-WMLDXEAASA-N -1 3 384.442 3.733 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023815 932854378 /nfs/dbraw/zinc/85/43/78/932854378.db2.gz HEVCGFQJPXBYRU-GOEBONIOSA-N -1 3 396.453 3.893 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000799091694 932874305 /nfs/dbraw/zinc/87/43/05/932874305.db2.gz XVMFTUCNZBMWLX-UHFFFAOYSA-N -1 3 386.448 3.833 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000799096332 932877203 /nfs/dbraw/zinc/87/72/03/932877203.db2.gz IMYQCSKKRAFVDS-UHFFFAOYSA-N -1 3 389.249 3.730 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c(C2CC2)n1 ZINC000799186411 932904988 /nfs/dbraw/zinc/90/49/88/932904988.db2.gz VMWHRCPGNNBHJT-CMDGGOBGSA-N -1 3 394.294 3.838 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928359657 932944700 /nfs/dbraw/zinc/94/47/00/932944700.db2.gz XEBKMRLZLCFNQZ-ZDUSSCGKSA-N -1 3 382.645 3.575 20 0 GHADHM CC[C@H](C(=O)N=c1[nH][n-]cc1Br)c1cccc(C(F)(F)F)c1 ZINC000560550062 933333691 /nfs/dbraw/zinc/33/36/91/933333691.db2.gz IAHQIJGQAWFBND-JTQLQIEISA-N -1 3 376.176 3.745 20 0 GHADHM [O-]c1cccc(CNCc2ccc(OCC(F)(F)F)nc2)c1Br ZINC000560577297 933356466 /nfs/dbraw/zinc/35/64/66/933356466.db2.gz KJIFDKIRXHBVJA-UHFFFAOYSA-N -1 3 391.187 3.781 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001116155451 933367076 /nfs/dbraw/zinc/36/70/76/933367076.db2.gz CTGYYIPBBVRJST-UHFFFAOYSA-N -1 3 393.409 3.680 20 0 GHADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cc(OCc2ccccc2)ccc1[O-] ZINC000560609834 933385757 /nfs/dbraw/zinc/38/57/57/933385757.db2.gz SRLNCSYTIKSBGT-UHFFFAOYSA-N -1 3 375.384 3.805 20 0 GHADHM CC(C)[C@@H](CC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001116240781 933429420 /nfs/dbraw/zinc/42/94/20/933429420.db2.gz GZDWHGMYILAHCM-MRXNPFEDSA-N -1 3 392.496 3.643 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Cn2cccc2)cc1 ZINC001116304055 933469125 /nfs/dbraw/zinc/46/91/25/933469125.db2.gz FHYZMUWOEMLUAI-UHFFFAOYSA-N -1 3 385.261 3.935 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)c1 ZINC000560888557 933654421 /nfs/dbraw/zinc/65/44/21/933654421.db2.gz LBGYSVXJSXVYKG-UHFFFAOYSA-N -1 3 379.825 3.563 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561190369 933945079 /nfs/dbraw/zinc/94/50/79/933945079.db2.gz UPIDUQXQTAQBIM-UHFFFAOYSA-N -1 3 388.399 3.637 20 0 GHADHM Cc1nc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)c(C)s1 ZINC001118323574 934138558 /nfs/dbraw/zinc/13/85/58/934138558.db2.gz CZHAVUILBIOWIL-LSDHHAIUSA-N -1 3 395.322 3.823 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1c(F)cccc1OC(F)(F)F ZINC000561514582 934232816 /nfs/dbraw/zinc/23/28/16/934232816.db2.gz IFDRBUQPXRBFBH-LLVKDONJSA-N -1 3 393.383 3.850 20 0 GHADHM CC(C)CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000561553080 934265522 /nfs/dbraw/zinc/26/55/22/934265522.db2.gz LVSXRDZYSKRNHK-ZIAGYGMSSA-N -1 3 394.459 3.753 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000561559333 934272391 /nfs/dbraw/zinc/27/23/91/934272391.db2.gz LFHMSPDVEPJTSS-INIZCTEOSA-N -1 3 397.855 3.936 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120716820 934499014 /nfs/dbraw/zinc/49/90/14/934499014.db2.gz MYOZWPMETUQAMK-VHSXEESVSA-N -1 3 398.834 3.515 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001121339098 934632083 /nfs/dbraw/zinc/63/20/83/934632083.db2.gz HLNKBLAYQFLTKM-MRXNPFEDSA-N -1 3 388.821 3.738 20 0 GHADHM Cc1cc(F)cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000562194879 934753768 /nfs/dbraw/zinc/75/37/68/934753768.db2.gz ZJYAXMGOBZLTFS-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM NC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)c1 ZINC001124057410 935336160 /nfs/dbraw/zinc/33/61/60/935336160.db2.gz PDACEXLCOBRVIQ-UHFFFAOYSA-N -1 3 377.734 3.624 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2ccc(C(=O)OC)o2)sc2c1CC[C@@H](C)C2 ZINC001124128691 935346577 /nfs/dbraw/zinc/34/65/77/935346577.db2.gz AOTOAALFBUKGGY-SNVBAGLBSA-N -1 3 391.445 3.682 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3OC(F)(F)O4)c2)n1 ZINC001125149459 935536127 /nfs/dbraw/zinc/53/61/27/935536127.db2.gz BITQYUMHIUZRIQ-UHFFFAOYSA-N -1 3 399.353 3.985 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000829649679 935838871 /nfs/dbraw/zinc/83/88/71/935838871.db2.gz FQTUMAISBXQXFS-UHFFFAOYSA-N -1 3 389.521 3.928 20 0 GHADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001137899227 935854083 /nfs/dbraw/zinc/85/40/83/935854083.db2.gz QEGNGJNBGDKMJX-INIZCTEOSA-N -1 3 388.345 3.589 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c([O-])c1 ZINC001137937729 935880336 /nfs/dbraw/zinc/88/03/36/935880336.db2.gz GSELFADSSRCQKQ-UHFFFAOYSA-N -1 3 384.432 3.928 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)/C(C)=C/c2ccc(Br)o2)c([O-])c1 ZINC001137937978 935880543 /nfs/dbraw/zinc/88/05/43/935880543.db2.gz PSLORQBAOGYNFQ-CSKARUKUSA-N -1 3 394.221 3.966 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)c1C ZINC000829957722 935885286 /nfs/dbraw/zinc/88/52/86/935885286.db2.gz YCQBFTRNODLGHI-UHFFFAOYSA-N -1 3 376.434 3.515 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000908881070 939344100 /nfs/dbraw/zinc/34/41/00/939344100.db2.gz AKINZMRNHPAHHX-RADWXHQJSA-N -1 3 387.524 3.545 20 0 GHADHM CC(=O)Nc1cccc(CNc2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)c1 ZINC001573546537 946812272 /nfs/dbraw/zinc/81/22/72/946812272.db2.gz CVRXWSNULBZQBF-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1cccc(CNc2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)c1 ZINC001573546537 946812282 /nfs/dbraw/zinc/81/22/82/946812282.db2.gz CVRXWSNULBZQBF-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC001573553538 946887462 /nfs/dbraw/zinc/88/74/62/946887462.db2.gz YQAQTCCMWZUDOM-AWEZNQCLSA-N -1 3 393.447 3.599 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC001573553538 946887475 /nfs/dbraw/zinc/88/74/75/946887475.db2.gz YQAQTCCMWZUDOM-AWEZNQCLSA-N -1 3 393.447 3.599 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001573366430 947739550 /nfs/dbraw/zinc/73/95/50/947739550.db2.gz PXWIDLAHZZSGBK-QBFSEMIESA-N -1 3 379.851 3.903 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573366430 947739556 /nfs/dbraw/zinc/73/95/56/947739556.db2.gz PXWIDLAHZZSGBK-QBFSEMIESA-N -1 3 379.851 3.903 20 0 GHADHM C[C@@H](C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)c1ccc(Cl)c(Cl)c1 ZINC001573647363 947891080 /nfs/dbraw/zinc/89/10/80/947891080.db2.gz IUQKTLNUQJMOCC-SNVBAGLBSA-N -1 3 388.258 3.866 20 0 GHADHM C[C@@H](C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)c1ccc(Cl)c(Cl)c1 ZINC001573647363 947891086 /nfs/dbraw/zinc/89/10/86/947891086.db2.gz IUQKTLNUQJMOCC-SNVBAGLBSA-N -1 3 388.258 3.866 20 0 GHADHM CC(C)[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccc(F)cc1 ZINC001574079972 948778770 /nfs/dbraw/zinc/77/87/70/948778770.db2.gz MMBKMUZALLLJRE-MRXNPFEDSA-N -1 3 390.369 3.803 20 0 GHADHM CC(C)[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccc(F)cc1 ZINC001574079972 948778785 /nfs/dbraw/zinc/77/87/85/948778785.db2.gz MMBKMUZALLLJRE-MRXNPFEDSA-N -1 3 390.369 3.803 20 0 GHADHM CC(C)C(NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC001574080919 948808073 /nfs/dbraw/zinc/80/80/73/948808073.db2.gz VKQPQHSKDGHCJE-UHFFFAOYSA-N -1 3 393.491 3.856 20 0 GHADHM CC(C)C(NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC001574080919 948808086 /nfs/dbraw/zinc/80/80/86/948808086.db2.gz VKQPQHSKDGHCJE-UHFFFAOYSA-N -1 3 393.491 3.856 20 0 GHADHM CC(C)c1ccccc1OCC(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001574420884 948811350 /nfs/dbraw/zinc/81/13/50/948811350.db2.gz CXJFEQKHYJYMMU-UHFFFAOYSA-N -1 3 391.475 3.955 20 0 GHADHM CC(C)c1ccccc1OCC(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001574420884 948811364 /nfs/dbraw/zinc/81/13/64/948811364.db2.gz CXJFEQKHYJYMMU-UHFFFAOYSA-N -1 3 391.475 3.955 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001574083866 948894276 /nfs/dbraw/zinc/89/42/76/948894276.db2.gz ZEWQCYUCWKNRGA-XUVXKRRUSA-N -1 3 375.476 3.826 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001574083866 948894288 /nfs/dbraw/zinc/89/42/88/948894288.db2.gz ZEWQCYUCWKNRGA-XUVXKRRUSA-N -1 3 375.476 3.826 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC001574089941 948973174 /nfs/dbraw/zinc/97/31/74/948973174.db2.gz JLJCUYUCKBLXFL-LPHOPBHVSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC001574089941 948973182 /nfs/dbraw/zinc/97/31/82/948973182.db2.gz JLJCUYUCKBLXFL-LPHOPBHVSA-N -1 3 385.512 3.555 20 0 GHADHM CC(F)(F)CCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001575243804 948999437 /nfs/dbraw/zinc/99/94/37/948999437.db2.gz ROFUEHNLXCOJTH-UHFFFAOYSA-N -1 3 389.431 3.793 20 0 GHADHM CC(F)(F)CCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001575243804 948999451 /nfs/dbraw/zinc/99/94/51/948999451.db2.gz ROFUEHNLXCOJTH-UHFFFAOYSA-N -1 3 389.431 3.793 20 0 GHADHM CC(C)(C(=O)Nc1cc(Cl)cnc1Cl)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788563 949201291 /nfs/dbraw/zinc/20/12/91/949201291.db2.gz MPVCDKJBQDGVSZ-UHFFFAOYSA-N -1 3 395.225 3.624 20 0 GHADHM CC(C)(C(=O)Nc1cc(Cl)cnc1Cl)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788563 949201312 /nfs/dbraw/zinc/20/13/12/949201312.db2.gz MPVCDKJBQDGVSZ-UHFFFAOYSA-N -1 3 395.225 3.624 20 0 GHADHM CC1(c2ccccc2C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)CC1 ZINC001575856604 949250422 /nfs/dbraw/zinc/25/04/22/949250422.db2.gz IFJROXMLQSNYAV-UHFFFAOYSA-N -1 3 398.264 3.933 20 0 GHADHM CC1(c2ccccc2C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2)CC1 ZINC001575856604 949250443 /nfs/dbraw/zinc/25/04/43/949250443.db2.gz IFJROXMLQSNYAV-UHFFFAOYSA-N -1 3 398.264 3.933 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576154899 949371882 /nfs/dbraw/zinc/37/18/82/949371882.db2.gz SCWGYDSJAYCLDH-NVXWUHKLSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576154899 949371904 /nfs/dbraw/zinc/37/19/04/949371904.db2.gz SCWGYDSJAYCLDH-NVXWUHKLSA-N -1 3 376.464 3.621 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC001589722732 950428927 /nfs/dbraw/zinc/42/89/27/950428927.db2.gz AZRFRFCJNYMKGW-IBGZPJMESA-N -1 3 385.464 3.598 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1C(F)(F)F ZINC001574508479 950483776 /nfs/dbraw/zinc/48/37/76/950483776.db2.gz OZMPIGIEVOJTBC-SNVBAGLBSA-N -1 3 395.410 3.757 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)c(-c3nnn[n-]3)cc2C1 ZINC001576214878 950682776 /nfs/dbraw/zinc/68/27/76/950682776.db2.gz CZPVSVCFQLGZBW-ZDUSSCGKSA-N -1 3 390.491 3.936 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)c(-c3nn[n-]n3)cc2C1 ZINC001576214878 950682786 /nfs/dbraw/zinc/68/27/86/950682786.db2.gz CZPVSVCFQLGZBW-ZDUSSCGKSA-N -1 3 390.491 3.936 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574520404 950730964 /nfs/dbraw/zinc/73/09/64/950730964.db2.gz REIINITZCYOOIK-DLBZAZTESA-N -1 3 391.519 3.918 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574520404 950730977 /nfs/dbraw/zinc/73/09/77/950730977.db2.gz REIINITZCYOOIK-DLBZAZTESA-N -1 3 391.519 3.918 20 0 GHADHM C[C@H]1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC001576216586 950736132 /nfs/dbraw/zinc/73/61/32/950736132.db2.gz DSWLIGSWHAIOMZ-OXJNMPFZSA-N -1 3 389.503 3.797 20 0 GHADHM C[C@H]1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC001576216586 950736147 /nfs/dbraw/zinc/73/61/47/950736147.db2.gz DSWLIGSWHAIOMZ-OXJNMPFZSA-N -1 3 389.503 3.797 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccc([Si](C)(C)C)cc2)n1 ZINC001573882017 950765163 /nfs/dbraw/zinc/76/51/63/950765163.db2.gz OFPFCGJNJGJXRN-UHFFFAOYSA-N -1 3 381.556 3.683 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccc([Si](C)(C)C)cc2)n1 ZINC001573882017 950765184 /nfs/dbraw/zinc/76/51/84/950765184.db2.gz OFPFCGJNJGJXRN-UHFFFAOYSA-N -1 3 381.556 3.683 20 0 GHADHM CC(C)(C)c1coc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC001573885566 950834247 /nfs/dbraw/zinc/83/42/47/950834247.db2.gz ZPXZNADOPUSBEE-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM CC(C)(C)c1coc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC001573885566 950834270 /nfs/dbraw/zinc/83/42/70/950834270.db2.gz ZPXZNADOPUSBEE-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM C[C@@H]1CCc2sc(C(=O)N3CCCc4c(-c5nnn[n-]5)cccc43)cc2C1 ZINC001576220864 950838328 /nfs/dbraw/zinc/83/83/28/950838328.db2.gz XKWQEPQVQKCTNY-GFCCVEGCSA-N -1 3 379.489 3.646 20 0 GHADHM C[C@@H]1CCc2sc(C(=O)N3CCCc4c(-c5nn[n-]n5)cccc43)cc2C1 ZINC001576220864 950838350 /nfs/dbraw/zinc/83/83/50/950838350.db2.gz XKWQEPQVQKCTNY-GFCCVEGCSA-N -1 3 379.489 3.646 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001574191438 950930796 /nfs/dbraw/zinc/93/07/96/950930796.db2.gz JAJAGWKEMNZKSS-NSHDSACASA-N -1 3 380.290 3.574 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001574191438 950930810 /nfs/dbraw/zinc/93/08/10/950930810.db2.gz JAJAGWKEMNZKSS-NSHDSACASA-N -1 3 380.290 3.574 20 0 GHADHM O=C([O-])CN1CC[C@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)C1=O ZINC001595079869 951671184 /nfs/dbraw/zinc/67/11/84/951671184.db2.gz WAFHITSUOXCLJS-WMZOPIPTSA-N -1 3 398.425 3.602 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575186048 952436042 /nfs/dbraw/zinc/43/60/42/952436042.db2.gz YCGDNZCKADCKKG-LSDHHAIUSA-N -1 3 397.910 3.788 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575186048 952436046 /nfs/dbraw/zinc/43/60/46/952436046.db2.gz YCGDNZCKADCKKG-LSDHHAIUSA-N -1 3 397.910 3.788 20 0 GHADHM CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001593760616 954482738 /nfs/dbraw/zinc/48/27/38/954482738.db2.gz RDARLBLZFUGTFV-UYAOXDASSA-N -1 3 397.519 3.681 20 0 GHADHM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001603055977 972122604 /nfs/dbraw/zinc/12/26/04/972122604.db2.gz AENRGUBUGBCSPD-FYGXRCCRSA-N -1 3 382.460 3.503 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462501 957250149 /nfs/dbraw/zinc/25/01/49/957250149.db2.gz LCGGKZPQEHEWBR-LJQANCHMSA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573539535 959185980 /nfs/dbraw/zinc/18/59/80/959185980.db2.gz QGWHVDMHAQVGJY-RDELFYGPSA-N -1 3 384.476 3.609 20 0 GHADHM CCCCO[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1(C)C ZINC001573849154 961121330 /nfs/dbraw/zinc/12/13/30/961121330.db2.gz OIPNZWYMMXGZEX-CGTJXYLNSA-N -1 3 378.513 3.654 20 0 GHADHM O=C([O-])CN1CCCC[C@@H](NCc2ccc(-c3ccccc3)c(Cl)c2)C1=O ZINC001574723193 962793456 /nfs/dbraw/zinc/79/34/56/962793456.db2.gz AZNNZMSRESKKBY-LJQANCHMSA-N -1 3 386.879 3.562 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001520135803 962813933 /nfs/dbraw/zinc/81/39/33/962813933.db2.gz PCUDUCNALBYUSP-MHECFPHRSA-N -1 3 394.515 3.588 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCc3nc4ccccc4s3)o2)C1 ZINC001605997742 973072712 /nfs/dbraw/zinc/07/27/12/973072712.db2.gz GBJFIFGXMLSMQG-AWEZNQCLSA-N -1 3 385.489 3.523 20 0 GHADHM O=C([N-][C@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)C1(O)CCC1 ZINC001625793349 1014171874 /nfs/dbraw/zinc/17/18/74/1014171874.db2.gz WEJJQQLFTIXCHE-ZDUSSCGKSA-N -1 3 392.215 3.706 20 0 GHADHM [O-]c1cc(F)c(Nc2c(Br)cncc2Br)cc1F ZINC001215569679 1029286693 /nfs/dbraw/zinc/28/66/93/1029286693.db2.gz CSPZHLCHBBZEFJ-UHFFFAOYSA-N -1 3 379.986 3.756 20 0 GHADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001625864531 1014252489 /nfs/dbraw/zinc/25/24/89/1014252489.db2.gz XGJCQENWZLBMPJ-ZMZPIMSZSA-N -1 3 377.282 3.989 20 0 GHADHM CC(C)[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001592268876 977525811 /nfs/dbraw/zinc/52/58/11/977525811.db2.gz KNXYFFCKDMWFPB-XOBRGWDASA-N -1 3 394.475 3.965 20 0 GHADHM C[C@](CCF)(NCc1csc(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC001592507407 978325417 /nfs/dbraw/zinc/32/54/17/978325417.db2.gz RRYOKLYTCNHLKV-OAHLLOKOSA-N -1 3 387.274 3.865 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1C(C)C ZINC000193446095 1014536890 /nfs/dbraw/zinc/53/68/90/1014536890.db2.gz UNLFFLSEHOIUEN-UHFFFAOYSA-N -1 3 388.489 3.813 20 0 GHADHM CC[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595300460 980434970 /nfs/dbraw/zinc/43/49/70/980434970.db2.gz QNNIYNZFCJMLAU-NHCUHLMSSA-N -1 3 396.487 3.535 20 0 GHADHM CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595301375 980437765 /nfs/dbraw/zinc/43/77/65/980437765.db2.gz YHACACQKFZIMFX-YRNRMSPPSA-N -1 3 383.492 3.634 20 0 GHADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001595368194 980823571 /nfs/dbraw/zinc/82/35/71/980823571.db2.gz AJQAFZDSEYVBTA-QFIPXVFZSA-N -1 3 390.524 3.857 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 ZINC001626015113 1014775040 /nfs/dbraw/zinc/77/50/40/1014775040.db2.gz HKLXYDSXARATGS-UHFFFAOYSA-N -1 3 384.501 3.623 20 0 GHADHM CC[C@](C)(COc1ncccc1Cl)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594834995 982027438 /nfs/dbraw/zinc/02/74/38/982027438.db2.gz CUHLNKRQDRPMNO-LJQANCHMSA-N -1 3 388.855 3.647 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccco1 ZINC001594994315 982872150 /nfs/dbraw/zinc/87/21/50/982872150.db2.gz LBCNMDBMSOUFJQ-WFASDCNBSA-N -1 3 391.493 3.951 20 0 GHADHM CCCc1ccc([C@H](NCC(=O)Nc2nc(CC(=O)[O-])cs2)C(C)C)cc1 ZINC001596063422 983375133 /nfs/dbraw/zinc/37/51/33/983375133.db2.gz XMYQQAMVYRZGBH-LJQANCHMSA-N -1 3 389.521 3.648 20 0 GHADHM CCN1CCN(c2cccc(Nc3ncc(C(=O)[O-])cc3C(F)(F)F)c2)CC1 ZINC001596442499 984137549 /nfs/dbraw/zinc/13/75/49/984137549.db2.gz MLOPPBZLSUHEFZ-UHFFFAOYSA-N -1 3 394.397 3.684 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001626145133 1015040657 /nfs/dbraw/zinc/04/06/57/1015040657.db2.gz YGAJFSMOYRQZIR-NRSPTQNISA-N -1 3 380.488 3.804 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1C ZINC001596692641 984815175 /nfs/dbraw/zinc/81/51/75/984815175.db2.gz YEHPSQFROBJMFO-INIZCTEOSA-N -1 3 398.381 3.743 20 0 GHADHM CC(=O)N(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589046419 985121649 /nfs/dbraw/zinc/12/16/49/985121649.db2.gz LHRVGAZUWDWDRN-QGZVFWFLSA-N -1 3 380.366 3.604 20 0 GHADHM C[Si](C)(C)c1ccc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001599938951 985430231 /nfs/dbraw/zinc/43/02/31/985430231.db2.gz DCOKTPHJFBTMAL-UHFFFAOYSA-N -1 3 388.609 3.841 20 0 GHADHM CCO[C@@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1(CC)CC ZINC001596833117 985466420 /nfs/dbraw/zinc/46/64/20/985466420.db2.gz JPTKGNKIZDBHFX-ZIAGYGMSSA-N -1 3 382.526 3.575 20 0 GHADHM CCO[C@@H]1C[C@H](NCc2cc(OC)c(C(=O)[O-])cc2Br)C12CCC2 ZINC001596840667 985526214 /nfs/dbraw/zinc/52/62/14/985526214.db2.gz ZYMKXLSRLJMQLF-JKSUJKDBSA-N -1 3 398.297 3.593 20 0 GHADHM CCOCCCN(Cc1cc(F)ccc1Br)C[C@@H](C)C(=O)[O-] ZINC001596915044 985938584 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399.491 3.731 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CN(CCc2cccc(Cl)c2)CC12CC(C(=O)[O-])C2 ZINC001589866700 988474341 /nfs/dbraw/zinc/47/43/41/988474341.db2.gz PIWSJFHPJYDIRQ-FIWNRLKKSA-N -1 3 393.911 3.637 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2ccccc2Cl)C12CCC2 ZINC001589982620 988858157 /nfs/dbraw/zinc/85/81/57/988858157.db2.gz JMLDUEPKNSTUNS-JKSUJKDBSA-N -1 3 394.899 3.987 20 0 GHADHM CC(C)(C)OC(=O)N1CCC12CCN([C@H](C(=O)[O-])c1ccccc1Cl)CC2 ZINC001589991125 988895782 /nfs/dbraw/zinc/89/57/82/988895782.db2.gz GIDNBBNGNDIAFK-INIZCTEOSA-N -1 3 394.899 3.941 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1ccc(/C=C\C(=O)[O-])o1)C2 ZINC001590216312 989588346 /nfs/dbraw/zinc/58/83/46/989588346.db2.gz RQWZASUOHBYSJW-DCUNMYHKSA-N -1 3 390.480 3.504 20 0 GHADHM CC(C)(C[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1)C(N)=O ZINC001590654599 990348013 /nfs/dbraw/zinc/34/80/13/990348013.db2.gz REKOWVZIVVOSHR-IAQYHMDHSA-N -1 3 387.307 3.733 20 0 GHADHM CC(C)(NCc1ccc(/C=C\C(=O)[O-])o1)[C@H](O)c1ccc(Br)cc1 ZINC001590871383 990777895 /nfs/dbraw/zinc/77/78/95/990777895.db2.gz QFDLIXSUVFCHNW-DOOKAGJSSA-N -1 3 394.265 3.742 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001598202273 990822460 /nfs/dbraw/zinc/82/24/60/990822460.db2.gz CINBUJDLXDNPHQ-MRXNPFEDSA-N -1 3 379.819 3.602 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598228596 990922372 /nfs/dbraw/zinc/92/23/72/990922372.db2.gz KYSCDWGKLSLWIH-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001598228874 990923075 /nfs/dbraw/zinc/92/30/75/990923075.db2.gz CPDQWKVPUJHECZ-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM COc1cccc2c1OCCC[C@H]2NCc1ccnc2c(C(=O)[O-])cccc12 ZINC001599692012 991085009 /nfs/dbraw/zinc/08/50/09/991085009.db2.gz CVGCHONYEVPFRS-GOSISDBHSA-N -1 3 378.428 3.945 20 0 GHADHM COc1cc(C(=O)NCCOc2cccc(Cl)c2Cl)cc(OC)c1[O-] ZINC000545169861 1015608952 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CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598503064 992461571 /nfs/dbraw/zinc/46/15/71/992461571.db2.gz BAMKILUXKAXLCE-FQEVSTJZSA-N -1 3 384.451 3.651 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)N(C)C)cc1 ZINC001591484679 992611828 /nfs/dbraw/zinc/61/18/28/992611828.db2.gz RIHPWJAWLYHCMX-LEVJEWGPSA-N -1 3 384.476 3.609 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H](c1ccccc1)N(C)C ZINC001593111325 993784189 /nfs/dbraw/zinc/78/41/89/993784189.db2.gz FAMKFPMCKHOBQJ-YVEFUNNKSA-N -1 3 375.856 3.851 20 0 GHADHM C[C@@H](Oc1ccc([C@H](C)N[C@H]2CCN(CCC(=O)[O-])C2=O)cc1)c1ccccc1 ZINC001593220815 994316102 /nfs/dbraw/zinc/31/61/02/994316102.db2.gz VQOOYVMMGVRHAU-FVJLSDCUSA-N -1 3 396.487 3.553 20 0 GHADHM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468652676 1015874897 /nfs/dbraw/zinc/87/48/97/1015874897.db2.gz JHJJDHORSUDAKS-UHFFFAOYSA-N -1 3 397.450 3.940 20 0 GHADHM C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCCCC2=O)cc1 ZINC001593289571 994664973 /nfs/dbraw/zinc/66/49/73/994664973.db2.gz UUROHERSZGYQTQ-MRXNPFEDSA-N -1 3 395.503 3.890 20 0 GHADHM C[C@@H](NCc1ccc(OCc2ccccc2)nc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593297911 994708094 /nfs/dbraw/zinc/70/80/94/994708094.db2.gz CAAHSHCCZVJCIF-QGZVFWFLSA-N -1 3 392.455 3.975 20 0 GHADHM C[C@@](NCc1ccc2c(c1)COC2)(C(=O)[O-])c1cccc(Br)c1 ZINC001593303306 994733222 /nfs/dbraw/zinc/73/32/22/994733222.db2.gz AXTMGHVXMJVLNK-SFHVURJKSA-N -1 3 376.250 3.569 20 0 GHADHM COC(=O)Cc1ccccc1CN[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598872994 996746464 /nfs/dbraw/zinc/74/64/64/996746464.db2.gz FMCIDCMGIUBVHB-LJQANCHMSA-N -1 3 396.270 3.799 20 0 GHADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000468814829 1016062548 /nfs/dbraw/zinc/06/25/48/1016062548.db2.gz CZQSJXRLZTVHMU-UHFFFAOYSA-N -1 3 396.244 3.702 20 0 GHADHM COC1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001599086328 997104636 /nfs/dbraw/zinc/10/46/36/997104636.db2.gz FVEREVAPNRAHOY-GFCCVEGCSA-N -1 3 385.304 3.874 20 0 GHADHM COc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406746 997320795 /nfs/dbraw/zinc/32/07/95/997320795.db2.gz AQJMSLJQRSOAQO-LJQANCHMSA-N -1 3 393.386 3.797 20 0 GHADHM COCC[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)c1cccc(C(F)(F)F)c1 ZINC001599219066 997634589 /nfs/dbraw/zinc/63/45/89/997634589.db2.gz WFMXAWRAMVSNRS-QGZVFWFLSA-N -1 3 384.398 3.918 20 0 GHADHM COC(=O)c1cc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]c1C ZINC001598932672 997796802 /nfs/dbraw/zinc/79/68/02/997796802.db2.gz SAQRCSCLBGNFNW-QGZVFWFLSA-N -1 3 385.247 3.506 20 0 GHADHM COc1cc(Br)c(CNCCCCC2(C(=O)[O-])CCC2)cc1O ZINC001599347859 998039958 /nfs/dbraw/zinc/03/99/58/998039958.db2.gz LIMULFIFXQBNNB-UHFFFAOYSA-N -1 3 386.286 3.678 20 0 GHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)O1 ZINC001594103173 998127631 /nfs/dbraw/zinc/12/76/31/998127631.db2.gz NIPQJTXWSAZKGV-KGLIPLIRSA-N -1 3 386.275 3.984 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001599158280 998412013 /nfs/dbraw/zinc/41/20/13/998412013.db2.gz DGAAUHYEZIRIPU-BFUOFWGJSA-N -1 3 393.867 3.678 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468924983 1016227044 /nfs/dbraw/zinc/22/70/44/1016227044.db2.gz KTDPZMBTDFICHQ-UHFFFAOYSA-N -1 3 392.858 3.961 20 0 GHADHM COC(=O)c1cnc([C@@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)s1 ZINC001599009136 998882300 /nfs/dbraw/zinc/88/23/00/998882300.db2.gz JQOGLHHSDDTDJW-IUODEOHRSA-N -1 3 394.880 3.588 20 0 GHADHM Cc1ccc(C(=O)N2CCC(NC(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000468961739 1016277757 /nfs/dbraw/zinc/27/77/57/1016277757.db2.gz NDOZNYWXAUKWRC-UHFFFAOYSA-N -1 3 398.478 3.583 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](C(C)(C)C)C3)c2C(=O)[O-])C1 ZINC001594444597 999634412 /nfs/dbraw/zinc/63/44/12/999634412.db2.gz VSFYTLXVLPPQKI-QWHCGFSZSA-N -1 3 378.538 3.878 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@H]4C[C@H]4C)no3)ccc2C)cc1 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UEIKICHPPKFNJS-UHFFFAOYSA-N -1 3 398.463 3.645 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(CC)cc1[O-] ZINC001154803092 1032291337 /nfs/dbraw/zinc/29/13/37/1032291337.db2.gz ZRPREIKEEDCHAP-QGZVFWFLSA-N -1 3 375.852 3.512 20 0 GHADHM COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001155015547 1032379940 /nfs/dbraw/zinc/37/99/40/1032379940.db2.gz GTYSZXCDSABMLW-OXJNMPFZSA-N -1 3 381.472 3.591 20 0 GHADHM C[C@H](Oc1cccc([O-])c1I)C(=O)OCc1ccccc1 ZINC001227377001 1032394816 /nfs/dbraw/zinc/39/48/16/1032394816.db2.gz AAXPDTOGDDIZRQ-NSHDSACASA-N -1 3 398.196 3.508 20 0 GHADHM Cc1nc(NC(=O)c2cnc3cc(NC(=O)OC(C)(C)C)ccc3c2)cc(=O)[n-]1 ZINC001155087451 1032407495 /nfs/dbraw/zinc/40/74/95/1032407495.db2.gz IGIBXVUNODOPDM-UHFFFAOYSA-N -1 3 395.419 3.638 20 0 GHADHM O=C(Nc1ccc(Br)c2c[nH]nc21)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178258 1032445962 /nfs/dbraw/zinc/44/59/62/1032445962.db2.gz GKBRAXBKSDHBHI-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM O=C(Nc1ccc(Br)c2c[nH]nc21)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178258 1032445970 /nfs/dbraw/zinc/44/59/70/1032445970.db2.gz GKBRAXBKSDHBHI-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(N2CCCCC2=O)c1 ZINC000777611663 1017331537 /nfs/dbraw/zinc/33/15/37/1017331537.db2.gz WEAZFCFBLCERRC-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(C4CC4)c4ccccc43)c[n-]c12 ZINC000561250283 1017822331 /nfs/dbraw/zinc/82/23/31/1017822331.db2.gz PBWSZGQSCLRISG-UHFFFAOYSA-N -1 3 377.419 3.605 20 0 GHADHM O=c1[n-]c(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)nc2c3ccccc3oc21 ZINC000931915443 1018075793 /nfs/dbraw/zinc/07/57/93/1018075793.db2.gz VRZQJWVUDDOCLZ-INIZCTEOSA-N -1 3 381.329 3.948 20 0 GHADHM CSc1ncc(Cl)c(C(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000562368486 1018127620 /nfs/dbraw/zinc/12/76/20/1018127620.db2.gz CKHHGIDKBUEYDH-UHFFFAOYSA-N -1 3 381.244 3.835 20 0 GHADHM Cc1sc([N-]C(=O)c2cc(Cl)no2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001155917686 1032793303 /nfs/dbraw/zinc/79/33/03/1032793303.db2.gz RRGBYWPYCQXMNZ-UHFFFAOYSA-N -1 3 388.836 3.897 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001228133984 1032803119 /nfs/dbraw/zinc/80/31/19/1032803119.db2.gz LBZULOCQHNJGIY-IBGZPJMESA-N -1 3 383.488 3.827 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1ccccc1 ZINC000565698067 1019194885 /nfs/dbraw/zinc/19/48/85/1019194885.db2.gz NGXOYBMSNDFAFA-IBGZPJMESA-N -1 3 385.489 3.960 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(CC)ccc1[O-] ZINC001156007945 1032837067 /nfs/dbraw/zinc/83/70/67/1032837067.db2.gz BKZAAPUMCWHFKU-KRWDZBQOSA-N -1 3 375.852 3.512 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@H]3CCC[C@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000627776850 1020602172 /nfs/dbraw/zinc/60/21/72/1020602172.db2.gz HFFMSZCQRPRJFB-WBVHZDCISA-N -1 3 386.492 3.832 20 0 GHADHM CCNC(=O)c1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(C)s1 ZINC000634418154 1020951200 /nfs/dbraw/zinc/95/12/00/1020951200.db2.gz BSCGWAHCIPNFKF-UHFFFAOYSA-N -1 3 397.456 3.648 20 0 GHADHM CC(C)Oc1cccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)c1 ZINC000634696381 1020955811 /nfs/dbraw/zinc/95/58/11/1020955811.db2.gz VPXXFEMDSQFDNY-UHFFFAOYSA-N -1 3 394.422 3.538 20 0 GHADHM CC[C@H](c1ccc(F)cc1)N1CCC(n2nnc(C(=O)[O-])c2C(F)F)CC1 ZINC000634696355 1020956104 /nfs/dbraw/zinc/95/61/04/1020956104.db2.gz UTNXNXOKBJAQLI-CQSZACIVSA-N -1 3 382.386 3.841 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)s2)c(C)c1 ZINC000645013657 1021116748 /nfs/dbraw/zinc/11/67/48/1021116748.db2.gz JZYDSJREZCZEFO-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CNc1nc2cc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])ccc2[nH]1 ZINC001156282834 1032957028 /nfs/dbraw/zinc/95/70/28/1032957028.db2.gz BPOWZUQHUGGSBP-UHFFFAOYSA-N -1 3 382.420 3.518 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001156284739 1032958374 /nfs/dbraw/zinc/95/83/74/1032958374.db2.gz MWZWCFQPPFIBCL-CQSZACIVSA-N -1 3 379.851 3.874 20 0 GHADHM [O-]c1cnccc1CN1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001140278236 1021304616 /nfs/dbraw/zinc/30/46/16/1021304616.db2.gz AOXWCYRPDFQZDT-UHFFFAOYSA-N -1 3 375.472 3.688 20 0 GHADHM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000800530654 1021317097 /nfs/dbraw/zinc/31/70/97/1021317097.db2.gz SHUBJVICOCATOX-UHFFFAOYSA-N -1 3 375.354 3.618 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H](C)Oc2ccc(C(C)C)cc2)c([O-])c1 ZINC001140309240 1021367815 /nfs/dbraw/zinc/36/78/15/1021367815.db2.gz YJXRACDOMZGXPZ-QGZVFWFLSA-N -1 3 398.503 3.528 20 0 GHADHM COc1ccc(C2=NO[C@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)cc1F ZINC000801353351 1021385030 /nfs/dbraw/zinc/38/50/30/1021385030.db2.gz ZRXWSHBIWSCQBO-INIZCTEOSA-N -1 3 394.402 3.616 20 0 GHADHM C/C(=C\c1ccccc1OC(F)F)CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901968910 1021470136 /nfs/dbraw/zinc/47/01/36/1021470136.db2.gz XVWRKBJAKSSYKH-JYFRFRJWSA-N -1 3 379.325 3.886 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1)C(=O)[O-] ZINC000902120092 1021481381 /nfs/dbraw/zinc/48/13/81/1021481381.db2.gz YOUPBNNJGHBCGR-HUUCEWRRSA-N -1 3 382.460 3.738 20 0 GHADHM O=C(NC[C@@H](O)c1cccc(Br)c1)c1cc([O-])c2ccccc2c1 ZINC000802320651 1021492637 /nfs/dbraw/zinc/49/26/37/1021492637.db2.gz QCZABXPORDNJGW-GOSISDBHSA-N -1 3 386.245 3.771 20 0 GHADHM Cc1cnccc1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902909843 1021550517 /nfs/dbraw/zinc/55/05/17/1021550517.db2.gz LXPPUSSJMPGVOV-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM Cc1cccnc1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902942763 1021557596 /nfs/dbraw/zinc/55/75/96/1021557596.db2.gz JDRYFLSZBSRHRT-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM Cc1ccncc1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902952874 1021563155 /nfs/dbraw/zinc/56/31/55/1021563155.db2.gz HQDCDTGGSLBGAB-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cccc([O-])c1Br ZINC001140547435 1021948244 /nfs/dbraw/zinc/94/82/44/1021948244.db2.gz FMIJNPZYLKVFAG-KBPBESRZSA-N -1 3 397.313 3.738 20 0 GHADHM [O-]c1cccc(CN2CCC(COc3cccnc3)CC2)c1Br ZINC001140547470 1021948294 /nfs/dbraw/zinc/94/82/94/1021948294.db2.gz HJAHSBOLXGZBGT-UHFFFAOYSA-N -1 3 377.282 3.841 20 0 GHADHM COC(CN(Cc1ccccc1)Cc1cccc([O-])c1Br)OC ZINC001140547490 1021948311 /nfs/dbraw/zinc/94/83/11/1021948311.db2.gz ICAJQKACAIVVBZ-UHFFFAOYSA-N -1 3 380.282 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1cccc([O-])c1Br)C2 ZINC001140550517 1021951447 /nfs/dbraw/zinc/95/14/47/1021951447.db2.gz UUEMIQHKSUYFGK-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM CCOC(=O)C1(C(C)C)CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140553091 1021955808 /nfs/dbraw/zinc/95/58/08/1021955808.db2.gz UHDQHJDOCYAIDJ-UHFFFAOYSA-N -1 3 384.314 3.956 20 0 GHADHM Cc1cccnc1OC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140555788 1021959567 /nfs/dbraw/zinc/95/95/67/1021959567.db2.gz WNSLGSXEKDPUKO-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM CN(Cc1ccsc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679537669 1022008881 /nfs/dbraw/zinc/00/88/81/1022008881.db2.gz GJWGVBFZNPSNDB-HXUWFJFHSA-N -1 3 394.496 3.974 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cnc1N1CCCC[C@H]1C ZINC000679583050 1022019861 /nfs/dbraw/zinc/01/98/61/1022019861.db2.gz MRYQTRGUAXUIFW-OAHLLOKOSA-N -1 3 376.460 3.863 20 0 GHADHM CCC[C@@H](Oc1[n-]c(=S)ncc1CC(=O)OCC)c1ccc(OC)cc1 ZINC001228715223 1033060245 /nfs/dbraw/zinc/06/02/45/1033060245.db2.gz DCGSSHGNRMLDJO-MRXNPFEDSA-N -1 3 376.478 3.800 20 0 GHADHM CC(C)[C@@H](CO)ON=C([O-])Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000836230514 1022751133 /nfs/dbraw/zinc/75/11/33/1022751133.db2.gz PRLCOPQQGFXSBY-CYBMUJFWSA-N -1 3 389.399 3.899 20 0 GHADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000836230514 1022751146 /nfs/dbraw/zinc/75/11/46/1022751146.db2.gz PRLCOPQQGFXSBY-CYBMUJFWSA-N -1 3 389.399 3.899 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000836338727 1022895345 /nfs/dbraw/zinc/89/53/45/1022895345.db2.gz ODKIQVMLSQNOIA-UHFFFAOYSA-N -1 3 393.827 3.922 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000836338727 1022895349 /nfs/dbraw/zinc/89/53/49/1022895349.db2.gz ODKIQVMLSQNOIA-UHFFFAOYSA-N -1 3 393.827 3.922 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC(F)F)c([O-])c1 ZINC000754897419 1022955947 /nfs/dbraw/zinc/95/59/47/1022955947.db2.gz LDKLQBBWXVKOAP-UHFFFAOYSA-N -1 3 380.416 3.774 20 0 GHADHM COCC[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000755037588 1023035584 /nfs/dbraw/zinc/03/55/84/1023035584.db2.gz SCQGMMJKBKONRW-AWEZNQCLSA-N -1 3 395.452 3.517 20 0 GHADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000755070403 1023060568 /nfs/dbraw/zinc/06/05/68/1023060568.db2.gz GOOXELKBNBCOFY-VIFPVBQESA-N -1 3 378.675 3.605 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)c2cc(C)ccc21 ZINC001140989736 1023100425 /nfs/dbraw/zinc/10/04/25/1023100425.db2.gz CFIAXFJXMJOHIN-UHFFFAOYSA-N -1 3 386.442 3.879 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000836597688 1023157057 /nfs/dbraw/zinc/15/70/57/1023157057.db2.gz GQTJQTUAUBJDOF-NSHDSACASA-N -1 3 383.514 3.689 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCO[C@@H](CCc4ccccc4)C3)cc(=O)oc12 ZINC000755264294 1023161197 /nfs/dbraw/zinc/16/11/97/1023161197.db2.gz WSGVPKXIGMUMNU-IBGZPJMESA-N -1 3 379.456 3.641 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000836919404 1023465975 /nfs/dbraw/zinc/46/59/75/1023465975.db2.gz IOUBJSVJOZTZMY-HNNXBMFYSA-N -1 3 381.501 3.711 20 0 GHADHM Cc1nn(C)c2ccc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)cc12 ZINC001204878300 1033140305 /nfs/dbraw/zinc/14/03/05/1033140305.db2.gz PGIUPFLNXQDQJM-UHFFFAOYSA-N -1 3 385.276 3.572 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H]1n1cccn1 ZINC000837028808 1023580737 /nfs/dbraw/zinc/58/07/37/1023580737.db2.gz JAJDPEHYINPMBM-LESCRADOSA-N -1 3 385.489 3.731 20 0 GHADHM COc1cc(C)c(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1OC ZINC000756347103 1023598955 /nfs/dbraw/zinc/59/89/55/1023598955.db2.gz FEULGQBEFGJCMM-KRWDZBQOSA-N -1 3 383.366 3.947 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204893324 1033149737 /nfs/dbraw/zinc/14/97/37/1033149737.db2.gz DSBZDKQQGMFPEF-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204893324 1033149746 /nfs/dbraw/zinc/14/97/46/1033149746.db2.gz DSBZDKQQGMFPEF-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM Cc1c(NC(=O)c2cc(=O)[n-]cn2)cc(Br)cc1C(F)(F)F ZINC001156646606 1033153486 /nfs/dbraw/zinc/15/34/86/1033153486.db2.gz KBGJFLDOOHORGI-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000756946225 1023879850 /nfs/dbraw/zinc/87/98/50/1023879850.db2.gz AZVSHQJYQJBAGM-LLVKDONJSA-N -1 3 396.340 3.891 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000830598750 1024009973 /nfs/dbraw/zinc/00/99/73/1024009973.db2.gz NDEDQTKZWLJGBK-HWPZZCPQSA-N -1 3 387.785 3.818 20 0 GHADHM O=c1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c2cc(Cl)c([O-])cc2o1 ZINC000830966524 1024279108 /nfs/dbraw/zinc/27/91/08/1024279108.db2.gz ACJZMFYWTZGEEZ-KBRIMQKVSA-N -1 3 377.868 3.668 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2ccc(I)cc2[O-])cs1 ZINC001138176609 1024306581 /nfs/dbraw/zinc/30/65/81/1024306581.db2.gz MLRNSVGVTPTSSU-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)C1(c2ccccc2)CCOCC1 ZINC000837430932 1024453367 /nfs/dbraw/zinc/45/33/67/1024453367.db2.gz ZJNVVLZEGBJDSR-UHFFFAOYSA-N -1 3 390.439 3.641 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000831395886 1024540169 /nfs/dbraw/zinc/54/01/69/1024540169.db2.gz ZTLGZHYUIOTBAP-QVKFZJNVSA-N -1 3 384.407 3.519 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC(N4CCCOC4=O)CC3)cc2)c1 ZINC001141360647 1024711539 /nfs/dbraw/zinc/71/15/39/1024711539.db2.gz FJFVKLJALSNXRG-UHFFFAOYSA-N -1 3 394.471 3.859 20 0 GHADHM CCNC(=O)OC1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001141360840 1024712917 /nfs/dbraw/zinc/71/29/17/1024712917.db2.gz NRPUIIIQEWYEMV-UHFFFAOYSA-N -1 3 382.460 3.762 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC001141378408 1024779024 /nfs/dbraw/zinc/77/90/24/1024779024.db2.gz SWFJULCEYGUDAL-KUHUBIRLSA-N -1 3 384.451 3.576 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccnc(OC(F)F)c3)nc(=O)c2c1C ZINC000837990426 1024861666 /nfs/dbraw/zinc/86/16/66/1024861666.db2.gz AVMGQZJYWOZDTM-MRVPVSSYSA-N -1 3 395.387 3.928 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1OC(F)(F)F ZINC001141399563 1024885086 /nfs/dbraw/zinc/88/50/86/1024885086.db2.gz YOGYHYRBROZDHH-UHFFFAOYSA-N -1 3 388.367 3.517 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000838141721 1024943143 /nfs/dbraw/zinc/94/31/43/1024943143.db2.gz QTRGULYVLWVILK-UHFFFAOYSA-N -1 3 388.420 3.808 20 0 GHADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001141504839 1025309704 /nfs/dbraw/zinc/30/97/04/1025309704.db2.gz QVWWFIPHKWLNLC-UHFFFAOYSA-N -1 3 388.851 3.515 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC000838840390 1025391976 /nfs/dbraw/zinc/39/19/76/1025391976.db2.gz YBBYXDAVUUKNGE-TZMCWYRMSA-N -1 3 399.329 3.890 20 0 GHADHM CCCCOC[C@H](C)OC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097541 1033276563 /nfs/dbraw/zinc/27/65/63/1033276563.db2.gz TUDITPQEWMHVMV-RYUDHWBXSA-N -1 3 377.275 3.849 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3cc(OC(F)(F)F)ccc3s2)[n-]1 ZINC001156861079 1033285706 /nfs/dbraw/zinc/28/57/06/1033285706.db2.gz BRKXSZNLKQKESZ-UHFFFAOYSA-N -1 3 399.350 3.952 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc3cc(OC(F)(F)F)ccc3s2)c[n-]1 ZINC001156861079 1033285718 /nfs/dbraw/zinc/28/57/18/1033285718.db2.gz BRKXSZNLKQKESZ-UHFFFAOYSA-N -1 3 399.350 3.952 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC001162051556 1025567112 /nfs/dbraw/zinc/56/71/12/1025567112.db2.gz RJUOTVDRBNJYEN-YLJYHZDGSA-N -1 3 379.464 3.815 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC001162051556 1025567135 /nfs/dbraw/zinc/56/71/35/1025567135.db2.gz RJUOTVDRBNJYEN-YLJYHZDGSA-N -1 3 379.464 3.815 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC001138925024 1025593417 /nfs/dbraw/zinc/59/34/17/1025593417.db2.gz GJNZVXMPAKPYDC-UHFFFAOYSA-N -1 3 375.852 3.847 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000839337744 1025819270 /nfs/dbraw/zinc/81/92/70/1025819270.db2.gz UJSFWOCGVOOEHG-UHFFFAOYSA-N -1 3 392.337 3.650 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[n-]n1 ZINC001162890913 1025955366 /nfs/dbraw/zinc/95/53/66/1025955366.db2.gz ZYFJVWCHFJLHTL-UHFFFAOYSA-N -1 3 396.234 3.572 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)n[n-]1 ZINC001162890913 1025955371 /nfs/dbraw/zinc/95/53/71/1025955371.db2.gz ZYFJVWCHFJLHTL-UHFFFAOYSA-N -1 3 396.234 3.572 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001139200776 1026043974 /nfs/dbraw/zinc/04/39/74/1026043974.db2.gz IWJMBYZAENRSPV-DLBZAZTESA-N -1 3 376.250 3.839 20 0 GHADHM CC[C@@H](C)C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC ZINC001163176958 1026077716 /nfs/dbraw/zinc/07/77/16/1026077716.db2.gz GOZXHPOCUJEJOW-UZLBHIALSA-N -1 3 383.488 3.885 20 0 GHADHM COc1cccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)c1OCC(=O)[O-] ZINC001139271307 1026119993 /nfs/dbraw/zinc/11/99/93/1026119993.db2.gz BJZFWNZSDPTNKB-OAHLLOKOSA-N -1 3 375.852 3.802 20 0 GHADHM CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc(C)ccc1[O-] ZINC001139457638 1026322500 /nfs/dbraw/zinc/32/25/00/1026322500.db2.gz UULQEWAVWKLBIC-UHFFFAOYSA-N -1 3 379.445 3.841 20 0 GHADHM O=C([N-]CC[C@@H]1CN(c2ncnc3ccsc32)c2ccccc21)C(F)(F)F ZINC001163947241 1026370244 /nfs/dbraw/zinc/37/02/44/1026370244.db2.gz RFTHTCOIQUJRLT-LLVKDONJSA-N -1 3 392.406 3.995 20 0 GHADHM COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC001141733128 1026376998 /nfs/dbraw/zinc/37/69/98/1026376998.db2.gz DNUJUDFAUZQHJA-LJQANCHMSA-N -1 3 391.423 3.843 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc(-c2cccc(OC(F)(F)F)c2)nc1 ZINC001164407724 1026507359 /nfs/dbraw/zinc/50/73/59/1026507359.db2.gz JGPRLMHQXKFFEP-CYBMUJFWSA-N -1 3 378.354 3.571 20 0 GHADHM CC(C)c1ccc(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001164627619 1026570445 /nfs/dbraw/zinc/57/04/45/1026570445.db2.gz ROVBXSRPATYTJF-UHFFFAOYSA-N -1 3 376.497 3.940 20 0 GHADHM O=S(=O)(CCC1CCCC1)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001210032464 1027322360 /nfs/dbraw/zinc/32/23/60/1027322360.db2.gz ZSZWCHRIUSMCLW-HNNXBMFYSA-N -1 3 399.862 3.590 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccccc1Cl ZINC001210525379 1027543853 /nfs/dbraw/zinc/54/38/53/1027543853.db2.gz JUAQKJYDMGDNJW-SNVBAGLBSA-N -1 3 393.814 3.893 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2C)c(C)c1Cl ZINC001210526050 1027544267 /nfs/dbraw/zinc/54/42/67/1027544267.db2.gz QOLQEXCTFBXLCM-KOLCDFICSA-N -1 3 393.958 3.990 20 0 GHADHM CC1CC([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 ZINC001210575102 1027561836 /nfs/dbraw/zinc/56/18/36/1027561836.db2.gz KNFTUFGIIOEVIK-UHFFFAOYSA-N -1 3 387.324 3.649 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ncccc2Cl)c1Cl ZINC001210637852 1027583534 /nfs/dbraw/zinc/58/35/34/1027583534.db2.gz XHZRJEPMNVSYGP-UHFFFAOYSA-N -1 3 395.695 3.708 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)CC(C)(C)C ZINC001141904326 1027630446 /nfs/dbraw/zinc/63/04/46/1027630446.db2.gz NYSDAANYERPEQJ-GFCCVEGCSA-N -1 3 383.448 3.547 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC001210739166 1027632335 /nfs/dbraw/zinc/63/23/35/1027632335.db2.gz OTVYJRLMAZPOFA-CQSZACIVSA-N -1 3 396.336 3.779 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001211454088 1027968055 /nfs/dbraw/zinc/96/80/55/1027968055.db2.gz ZTRXEXUQPWHAJR-ZDUSSCGKSA-N -1 3 383.872 3.886 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCCC1 ZINC001213229169 1028056750 /nfs/dbraw/zinc/05/67/50/1028056750.db2.gz XKGYUZYHDWSYSP-CYBMUJFWSA-N -1 3 396.734 3.586 20 0 GHADHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2sc(C)cc2C)on1 ZINC001213244686 1028065629 /nfs/dbraw/zinc/06/56/29/1028065629.db2.gz HYBHQKIBVCYLIL-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM O=c1cc(-c2nc(-c3cc(F)cc(Br)c3)no2)nc(C2CC2)[n-]1 ZINC001213258739 1028073492 /nfs/dbraw/zinc/07/34/92/1028073492.db2.gz FRTICYBIIFYGSM-UHFFFAOYSA-N -1 3 377.173 3.678 20 0 GHADHM [O-]c1cc(Cl)c(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c(Cl)c1 ZINC001142109568 1028130423 /nfs/dbraw/zinc/13/04/23/1028130423.db2.gz VEGGLJUBLWOAHD-CQSZACIVSA-N -1 3 396.318 3.954 20 0 GHADHM O=S(=O)([N-]Cc1noc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC001213451228 1028200384 /nfs/dbraw/zinc/20/03/84/1028200384.db2.gz XDZQLBYKFFMFFB-UHFFFAOYSA-N -1 3 375.208 3.752 20 0 GHADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001142187883 1028324469 /nfs/dbraw/zinc/32/44/69/1028324469.db2.gz JEUNHRJQIMSZFR-UHFFFAOYSA-N -1 3 397.862 3.916 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1cccc2ccccc21 ZINC001213737597 1028356941 /nfs/dbraw/zinc/35/69/41/1028356941.db2.gz GTZNYWANMCKWOZ-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cccc3cccc1c32)c1cnc(Cl)c(F)c1 ZINC001213797889 1028381724 /nfs/dbraw/zinc/38/17/24/1028381724.db2.gz RQQQQASHLCKITO-INIZCTEOSA-N -1 3 376.840 3.993 20 0 GHADHM CCOC(=O)[C@](C)(C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)CC(C)C ZINC001213816062 1028389162 /nfs/dbraw/zinc/38/91/62/1028389162.db2.gz CPLUUEXMEOKNGP-IBGZPJMESA-N -1 3 399.484 3.774 20 0 GHADHM COc1cc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)nc2F)cc2ccccc21 ZINC001213955711 1028471347 /nfs/dbraw/zinc/47/13/47/1028471347.db2.gz VMYADHYLGXKDCU-LLVKDONJSA-N -1 3 378.400 3.561 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(C)ccc3Br)no2)[n-]1 ZINC001213975047 1028483723 /nfs/dbraw/zinc/48/37/23/1028483723.db2.gz OIUKSYSIBXENOP-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)ccc1N ZINC001214141354 1028564917 /nfs/dbraw/zinc/56/49/17/1028564917.db2.gz ADNZEZHPSASXIK-UHFFFAOYSA-N -1 3 399.447 3.769 20 0 GHADHM CCOC(=O)c1cnn(-c2ccccn2)c1Nc1c(Cl)ccc([O-])c1F ZINC001214555948 1028791728 /nfs/dbraw/zinc/79/17/28/1028791728.db2.gz BUFCHLPYCCNTGN-UHFFFAOYSA-N -1 3 376.775 3.686 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC001214823366 1028925229 /nfs/dbraw/zinc/92/52/29/1028925229.db2.gz USNHARRSHPBSHO-UHFFFAOYSA-N -1 3 388.420 3.882 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC001214823366 1028925236 /nfs/dbraw/zinc/92/52/36/1028925236.db2.gz USNHARRSHPBSHO-UHFFFAOYSA-N -1 3 388.420 3.882 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2ccc(OC3COC3)c(C(F)(F)F)c2)no1 ZINC001215141808 1029055269 /nfs/dbraw/zinc/05/52/69/1029055269.db2.gz AEAMJDLUVYMJMX-UHFFFAOYSA-N -1 3 378.306 3.906 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2cc(F)ccc2I)no1 ZINC001215142265 1029055399 /nfs/dbraw/zinc/05/53/99/1029055399.db2.gz UIUSUTAGRXDILJ-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001142558462 1029060751 /nfs/dbraw/zinc/06/07/51/1029060751.db2.gz XWBCXSUYNKTQNV-KRWDZBQOSA-N -1 3 380.485 3.726 20 0 GHADHM COc1cc(-c2nc(-c3ccc(Br)c(C)n3)no2)cc(OC)c1[O-] ZINC001215208649 1029089868 /nfs/dbraw/zinc/08/98/68/1029089868.db2.gz WRBBATXPGIKVSR-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM CC(=O)c1ccc(-c2noc(-c3c([O-])cccc3O)n2)c(Br)c1 ZINC001215301622 1029139499 /nfs/dbraw/zinc/13/94/99/1029139499.db2.gz CGONXJMPZOBYFH-UHFFFAOYSA-N -1 3 375.178 3.780 20 0 GHADHM CCOc1ccc(Br)cc1-c1noc(-c2c([O-])cccc2O)n1 ZINC001215302271 1029140668 /nfs/dbraw/zinc/14/06/68/1029140668.db2.gz WZTFCBOIUSGRLT-UHFFFAOYSA-N -1 3 377.194 3.976 20 0 GHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Cl ZINC001215952583 1029470541 /nfs/dbraw/zinc/47/05/41/1029470541.db2.gz WEODARJBNYCGIZ-UHFFFAOYSA-N -1 3 397.628 3.764 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c2cccnc12 ZINC000842793369 1029591841 /nfs/dbraw/zinc/59/18/41/1029591841.db2.gz LQHMVYJDDIGVHQ-INIZCTEOSA-N -1 3 397.500 3.569 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142905893 1029667401 /nfs/dbraw/zinc/66/74/01/1029667401.db2.gz UFPZICOQVYZCDW-UHFFFAOYSA-N -1 3 382.420 3.835 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142905893 1029667410 /nfs/dbraw/zinc/66/74/10/1029667410.db2.gz UFPZICOQVYZCDW-UHFFFAOYSA-N -1 3 382.420 3.835 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC12CC=CC2 ZINC001143023044 1029788460 /nfs/dbraw/zinc/78/84/60/1029788460.db2.gz PFSCILRUDZGEIL-MRXNPFEDSA-N -1 3 382.913 3.528 20 0 GHADHM CC(C)c1nc([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)n[nH]1 ZINC001143273683 1029972290 /nfs/dbraw/zinc/97/22/90/1029972290.db2.gz JNJQLIVCWPRSOZ-UHFFFAOYSA-N -1 3 376.214 3.598 20 0 GHADHM CS(=O)(=O)c1cccc(-c2noc(-c3cc([O-])cc(C(F)(F)F)c3)n2)c1 ZINC001216895691 1029985109 /nfs/dbraw/zinc/98/51/09/1029985109.db2.gz HCRWBJNIEIXILL-UHFFFAOYSA-N -1 3 384.335 3.532 20 0 GHADHM Cc1ncsc1-c1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc1 ZINC001216958959 1030030894 /nfs/dbraw/zinc/03/08/94/1030030894.db2.gz KUZYQELQLQUDJB-UHFFFAOYSA-N -1 3 395.440 3.912 20 0 GHADHM CCOc1cccc(-c2nc(-c3ncc(C)cc3Br)no2)c1[O-] ZINC001216958986 1030031366 /nfs/dbraw/zinc/03/13/66/1030031366.db2.gz LUZONWQQHWSNDM-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc(F)c(Cl)c3F)no2)c1C ZINC001216961560 1030035040 /nfs/dbraw/zinc/03/50/40/1030035040.db2.gz HNTKLIKMIRDOMG-UHFFFAOYSA-N -1 3 391.761 3.920 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ccc3c(c2)N(C)C(=O)C3(C)C)c1[O-] ZINC001149198661 1030088313 /nfs/dbraw/zinc/08/83/13/1030088313.db2.gz YHZPAXBTASTVCY-UHFFFAOYSA-N -1 3 375.428 3.755 20 0 GHADHM COc1cc(Cl)ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC001217017536 1030093743 /nfs/dbraw/zinc/09/37/43/1030093743.db2.gz BEUYYRGOMXITDJ-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM Cc1ccc(-c2noc(-c3cc(I)c([O-])cc3O)n2)cc1 ZINC001217115692 1030175464 /nfs/dbraw/zinc/17/54/64/1030175464.db2.gz IQEMAEPBAMTNCU-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(c2ccccc2)C2CCC2)c(Cl)c1 ZINC001149587598 1030235399 /nfs/dbraw/zinc/23/53/99/1030235399.db2.gz JGLVPXPVWWTFSJ-UHFFFAOYSA-N -1 3 378.881 3.911 20 0 GHADHM Brc1ccc2[n-]c(-c3nc(-c4cccn5ccnc45)no3)nc2c1 ZINC001217322150 1030309530 /nfs/dbraw/zinc/30/95/30/1030309530.db2.gz PQQJPONUJHIINU-UHFFFAOYSA-N -1 3 381.193 3.690 20 0 GHADHM Brc1ccc2nc(-c3nc(-c4cccn5ccnc45)no3)[n-]c2c1 ZINC001217322150 1030309548 /nfs/dbraw/zinc/30/95/48/1030309548.db2.gz PQQJPONUJHIINU-UHFFFAOYSA-N -1 3 381.193 3.690 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2cccc3c2[N-]C(=O)C3=O)n1 ZINC001217355111 1030331285 /nfs/dbraw/zinc/33/12/85/1030331285.db2.gz PBTWJOQHNUJKAC-UHFFFAOYSA-N -1 3 398.216 3.863 20 0 GHADHM Cc1cc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc(C)c1Br ZINC001217355461 1030331841 /nfs/dbraw/zinc/33/18/41/1030331841.db2.gz UQKQUPGDHLVYAM-UHFFFAOYSA-N -1 3 398.216 3.918 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4ccncc4C)no3)c1[O-])CCCC2 ZINC001217447642 1030400566 /nfs/dbraw/zinc/40/05/66/1030400566.db2.gz SDEGLCNZINTNKP-UHFFFAOYSA-N -1 3 379.416 3.868 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc3onc(C)c3c2)no1 ZINC001217470763 1030419337 /nfs/dbraw/zinc/41/93/37/1030419337.db2.gz DPOIDHXQWSBPKV-UHFFFAOYSA-N -1 3 375.344 3.516 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5onc(C)c5c4)no3)n[n-]c21 ZINC001217470763 1030419340 /nfs/dbraw/zinc/41/93/40/1030419340.db2.gz DPOIDHXQWSBPKV-UHFFFAOYSA-N -1 3 375.344 3.516 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001150178447 1030438392 /nfs/dbraw/zinc/43/83/92/1030438392.db2.gz KWQHGKMKMSLJHK-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001150178447 1030438396 /nfs/dbraw/zinc/43/83/96/1030438396.db2.gz KWQHGKMKMSLJHK-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(F)c(OC)c4F)no3)c2c1 ZINC001217499004 1030442021 /nfs/dbraw/zinc/44/20/21/1030442021.db2.gz BUMVIGOASVMKBP-UHFFFAOYSA-N -1 3 385.326 3.953 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(F)c(F)c4OC)no3)c2c1 ZINC001217499443 1030442051 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Cc1ccccc1C1(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CC1 ZINC001158344561 1034034544 /nfs/dbraw/zinc/03/45/44/1034034544.db2.gz DEESIDQAORNPFQ-UHFFFAOYSA-N -1 3 375.428 3.745 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)[C@H]2CCc3ccccc3C2)[n-]n1 ZINC001158345249 1034036785 /nfs/dbraw/zinc/03/67/85/1034036785.db2.gz LSTLDSFEMGBOMS-SFHVURJKSA-N -1 3 375.428 3.510 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)[C@H]2CCc3ccccc3C2)n[n-]1 ZINC001158345249 1034036801 /nfs/dbraw/zinc/03/68/01/1034036801.db2.gz LSTLDSFEMGBOMS-SFHVURJKSA-N -1 3 375.428 3.510 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cnc(-c2ccco2)s1 ZINC001158346384 1034037032 /nfs/dbraw/zinc/03/70/32/1034037032.db2.gz WCSDTZGPXIILLG-UHFFFAOYSA-N -1 3 394.412 3.736 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cnc(-c2ccco2)s1 ZINC001158346384 1034037043 /nfs/dbraw/zinc/03/70/43/1034037043.db2.gz WCSDTZGPXIILLG-UHFFFAOYSA-N -1 3 394.412 3.736 20 0 GHADHM CCOc1ccc(CCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001158346073 1034037301 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385.468 3.568 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1 ZINC001231457383 1034599984 /nfs/dbraw/zinc/59/99/84/1034599984.db2.gz LCHHRIMEYZKZNV-LJQANCHMSA-N -1 3 391.483 3.569 20 0 GHADHM CCOC[C@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2cn(CC)nc21 ZINC001231522691 1034673620 /nfs/dbraw/zinc/67/36/20/1034673620.db2.gz RPUSJYILPHMSJO-OAHLLOKOSA-N -1 3 383.414 3.763 20 0 GHADHM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231528023 1034680401 /nfs/dbraw/zinc/68/04/01/1034680401.db2.gz WWJPQSQGAIGIAL-ROUUACIJSA-N -1 3 395.377 3.526 20 0 GHADHM O=S(=O)([N-]CCCSc1ccc(F)cc1)c1cnc(Cl)c(Cl)c1 ZINC001208259906 1034838603 /nfs/dbraw/zinc/83/86/03/1034838603.db2.gz NVMQQZUXGRONQO-UHFFFAOYSA-N -1 3 395.308 3.988 20 0 GHADHM [O-]c1cc(CN2CCCN(c3nccc(C(F)(F)F)n3)CC2)ccc1Cl ZINC001231733654 1034869919 /nfs/dbraw/zinc/86/99/19/1034869919.db2.gz BTCYJFJDUFFPDL-UHFFFAOYSA-N -1 3 386.805 3.567 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(Cl)c([O-])c2)N(C)C)cc1 ZINC001160235058 1034912612 /nfs/dbraw/zinc/91/26/12/1034912612.db2.gz HUQJURIOILBLEK-GOSISDBHSA-N -1 3 376.884 3.866 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC001160321284 1034939289 /nfs/dbraw/zinc/93/92/89/1034939289.db2.gz NRYKEHFZJPXMGP-UHFFFAOYSA-N -1 3 397.431 3.540 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(F)c2I)c1[O-] ZINC001160320556 1034939591 /nfs/dbraw/zinc/93/95/91/1034939591.db2.gz ASWLKSFMDXJSRS-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001160347733 1034947561 /nfs/dbraw/zinc/94/75/61/1034947561.db2.gz RCUKXGWICCILLD-QWHCGFSZSA-N -1 3 386.945 3.998 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(C(F)(F)F)nc1Cl ZINC001160538843 1034997557 /nfs/dbraw/zinc/99/75/57/1034997557.db2.gz QMHOAFIENMYKSV-UHFFFAOYSA-N -1 3 376.669 3.876 20 0 GHADHM O=C(Nc1nc(-c2cccs2)ns1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001160564305 1035003578 /nfs/dbraw/zinc/00/35/78/1035003578.db2.gz YDFCMRKQDJUZCB-UHFFFAOYSA-N -1 3 390.396 3.639 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1c[nH]c2cccc(Br)c12 ZINC001160711751 1035041796 /nfs/dbraw/zinc/04/17/96/1035041796.db2.gz VTEJQJOHJWYKFC-UHFFFAOYSA-N -1 3 391.240 3.677 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c(F)cc1Br ZINC001209288923 1035232606 /nfs/dbraw/zinc/23/26/06/1035232606.db2.gz KHKXWAKHYDIAIF-SNVBAGLBSA-N -1 3 392.315 3.868 20 0 GHADHM C[C@H]1CN=C(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)S1 ZINC001161486392 1035239175 /nfs/dbraw/zinc/23/91/75/1035239175.db2.gz HYSAHBDUJAUCIO-LBPRGKRZSA-N -1 3 379.441 3.542 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3F)C2)sc1Cl ZINC001209342458 1035246594 /nfs/dbraw/zinc/24/65/94/1035246594.db2.gz FQNLZYWFWQGGJJ-LLVKDONJSA-N -1 3 392.880 3.545 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c2nccc(OC)c2c1 ZINC001161775213 1035298326 /nfs/dbraw/zinc/29/83/26/1035298326.db2.gz UETMXGYVUATAKH-UHFFFAOYSA-N -1 3 389.411 3.654 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1-c1cccc([S-])c1 ZINC001242866009 1035975597 /nfs/dbraw/zinc/97/55/97/1035975597.db2.gz JCZCQMLMVSRTGC-HNNXBMFYSA-N -1 3 399.560 3.836 20 0 GHADHM Cc1ccc(Cl)cc1-c1noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n1 ZINC001247691152 1038330790 /nfs/dbraw/zinc/33/07/90/1038330790.db2.gz RHLCYKOWMCHNAI-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM O=C1NC[C@@H](c2ccccc2)[C@@]12CCN(Cc1ccc(Cl)c([O-])c1Cl)C2 ZINC001232626534 1038415464 /nfs/dbraw/zinc/41/54/64/1038415464.db2.gz QOLSQPIJKWUEJJ-YWZLYKJASA-N -1 3 391.298 3.805 20 0 GHADHM Cc1cc([C@@H]2CCCN2Cc2ccc([O-])c(I)c2)no1 ZINC001232867388 1038631362 /nfs/dbraw/zinc/63/13/62/1038631362.db2.gz FEYJHNQNCDXWLV-AWEZNQCLSA-N -1 3 384.217 3.630 20 0 GHADHM CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232936714 1038717667 /nfs/dbraw/zinc/71/76/67/1038717667.db2.gz VHFPNDCJKOVEBZ-MRXNPFEDSA-N -1 3 392.446 3.519 20 0 GHADHM CC[C@@H]1N(Cc2cc([O-])c(F)c(F)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001232970896 1038743140 /nfs/dbraw/zinc/74/31/40/1038743140.db2.gz YHSCJEDNMOJOMI-RXVVDRJESA-N -1 3 378.463 3.816 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232970434 1038744087 /nfs/dbraw/zinc/74/40/87/1038744087.db2.gz SGQCKWXUUJWQTN-UHFFFAOYSA-N -1 3 398.453 3.961 20 0 GHADHM CCCNC(=O)c1ccccc1OC1CCN(Cc2cccc([O-])c2F)CC1 ZINC001233054918 1038817047 /nfs/dbraw/zinc/81/70/47/1038817047.db2.gz FIFUWMCRSDHJRX-UHFFFAOYSA-N -1 3 386.467 3.715 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CCNC(=O)OC(C)(C)C)c2)cc1 ZINC001252184190 1038900649 /nfs/dbraw/zinc/90/06/49/1038900649.db2.gz LRADTIAIGJUFDF-UHFFFAOYSA-N -1 3 390.505 3.863 20 0 GHADHM CC(C)S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252535324 1039025759 /nfs/dbraw/zinc/02/57/59/1039025759.db2.gz JYPMTUIQBBQDMI-OAHLLOKOSA-N -1 3 398.525 3.615 20 0 GHADHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(Br)c2ccncc12 ZINC001252880054 1039229176 /nfs/dbraw/zinc/22/91/76/1039229176.db2.gz LWFNBVAYNFAPKP-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4c(F)ccc([O-])c4F)C3)CC2=O)s1 ZINC001233395161 1039230540 /nfs/dbraw/zinc/23/05/40/1039230540.db2.gz OAIBNMKETIBDKN-IBGZPJMESA-N -1 3 378.444 3.669 20 0 GHADHM COc1ccc(CN2CCN(c3nsc4ccccc43)CC2)c(Cl)c1[O-] ZINC001233398248 1039232344 /nfs/dbraw/zinc/23/23/44/1039232344.db2.gz DLUAQMHEXYIJMU-UHFFFAOYSA-N -1 3 389.908 3.986 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233397094 1039233631 /nfs/dbraw/zinc/23/36/31/1039233631.db2.gz KPHBPKGSLSIZKI-INIZCTEOSA-N -1 3 382.451 3.940 20 0 GHADHM Cn1nc(Br)c2cccc([N-]S(=O)(=O)/C=C/c3ccccc3)c21 ZINC001253038213 1039371423 /nfs/dbraw/zinc/37/14/23/1039371423.db2.gz NOIRUDIMIPVWQB-ZHACJKMWSA-N -1 3 392.278 3.748 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](Oc3c(Cl)ccc([O-])c3F)CO2)C1 ZINC001234263522 1039943522 /nfs/dbraw/zinc/94/35/22/1039943522.db2.gz CSJXMNGOXWYOGV-VOJFVSQTSA-N -1 3 387.835 3.732 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234381733 1039993017 /nfs/dbraw/zinc/99/30/17/1039993017.db2.gz RTBYXPZEZCGQGS-OKILXGFUSA-N -1 3 380.396 3.886 20 0 GHADHM COC(=O)[C@H]1CCc2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 ZINC001254166966 1040018912 /nfs/dbraw/zinc/01/89/12/1040018912.db2.gz XNNVBGOXECQRLO-IBGZPJMESA-N -1 3 387.501 3.924 20 0 GHADHM O=C(c1cccnc1Cl)N1CCC(Oc2c([O-])cc(Cl)cc2F)CC1 ZINC001234446472 1040039330 /nfs/dbraw/zinc/03/93/30/1040039330.db2.gz FTTJNJBVYHMBAP-UHFFFAOYSA-N -1 3 385.222 3.917 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1COCc2ccccc21 ZINC001234608157 1040165648 /nfs/dbraw/zinc/16/56/48/1040165648.db2.gz JYTBFMXSSPIMRM-HNNXBMFYSA-N -1 3 393.233 3.982 20 0 GHADHM CC(C)N1CC[C@@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)C1 ZINC001234725239 1040254607 /nfs/dbraw/zinc/25/46/07/1040254607.db2.gz CEQYARYJFLCTCZ-OAHLLOKOSA-N -1 3 381.428 3.733 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(O[C@@H](C)C(C)=O)c-2o1 ZINC001234731416 1040260195 /nfs/dbraw/zinc/26/01/95/1040260195.db2.gz GIKLMQUZWAPMLO-LBPRGKRZSA-N -1 3 384.384 3.539 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2F)c1C(C)=O ZINC001234791941 1040322520 /nfs/dbraw/zinc/32/25/20/1040322520.db2.gz SZTCJXLOSMNCJU-CJNGLKHVSA-N -1 3 397.443 3.638 20 0 GHADHM C[C@@H]1CCN(Cc2ccc(SC(F)F)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001462467393 1070274702 /nfs/dbraw/zinc/27/47/02/1070274702.db2.gz CWHGFXWHNYTSFM-MFKMUULPSA-N -1 3 382.398 3.890 20 0 GHADHM CCOc1ccc(-c2nnc(-c3cc(OC)c([O-])c(OC)c3)o2)cc1OCC ZINC001254981252 1040705095 /nfs/dbraw/zinc/70/50/95/1040705095.db2.gz BKJIXQIBHGJGJO-UHFFFAOYSA-N -1 3 386.404 3.924 20 0 GHADHM O=c1c(-c2nnc([C@@H]3CCN(Cc4ccccc4)C3)o2)c[n-]c2ccc(F)cc21 ZINC001255385426 1040974328 /nfs/dbraw/zinc/97/43/28/1040974328.db2.gz DXAUVGULRJEZCX-OAHLLOKOSA-N -1 3 390.418 3.707 20 0 GHADHM [O-]c1cnc2ccc(Br)cc2c1-c1nnc(C2CCOCC2)o1 ZINC001255656386 1041196345 /nfs/dbraw/zinc/19/63/45/1041196345.db2.gz YGGWQUZMJQRAJR-UHFFFAOYSA-N -1 3 376.210 3.647 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccc2ccccc21)c1ccc(F)cc1F ZINC001256098655 1041526206 /nfs/dbraw/zinc/52/62/06/1041526206.db2.gz TWJUYTOKIHWRKD-SFHVURJKSA-N -1 3 377.412 3.520 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1Br)c1ccc(F)cc1F ZINC001256098794 1041526282 /nfs/dbraw/zinc/52/62/82/1041526282.db2.gz ZYGBBJLUAFGXMC-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236684275 1041830101 /nfs/dbraw/zinc/83/01/01/1041830101.db2.gz PBOJEYGDLPVRNS-UHFFFAOYSA-N -1 3 399.329 3.891 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2ccc([O-])c(F)c2F)C1 ZINC001462576301 1070383432 /nfs/dbraw/zinc/38/34/32/1070383432.db2.gz IRAVSHKBLDPZER-GFCCVEGCSA-N -1 3 392.393 3.652 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237147527 1042064840 /nfs/dbraw/zinc/06/48/40/1042064840.db2.gz AQTVGXXLDNECEZ-QGZVFWFLSA-N -1 3 387.933 3.868 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCN2)no1)c1ccc(C2CCCCC2)cc1 ZINC001237546919 1042258652 /nfs/dbraw/zinc/25/86/52/1042258652.db2.gz FMZIFNSDYCOJGJ-QGZVFWFLSA-N -1 3 375.494 3.948 20 0 GHADHM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cc([C@@H]4CCCN4)no3)cc2)cc1 ZINC001237549737 1042260154 /nfs/dbraw/zinc/26/01/54/1042260154.db2.gz PMAMKABEQYTSLN-SFHVURJKSA-N -1 3 383.473 3.875 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(N)sc3c2)c(C)c1C ZINC001237733600 1042344214 /nfs/dbraw/zinc/34/42/14/1042344214.db2.gz YEZPPJLETJVSQG-UHFFFAOYSA-N -1 3 377.491 3.613 20 0 GHADHM CNc1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC001237742677 1042349025 /nfs/dbraw/zinc/34/90/25/1042349025.db2.gz VEJHTPXSDKKUAC-UHFFFAOYSA-N -1 3 375.675 3.945 20 0 GHADHM [O-]c1c(F)cc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001237991637 1042446853 /nfs/dbraw/zinc/44/68/53/1042446853.db2.gz KINOZUUEJSZLQX-RDJZCZTQSA-N -1 3 394.849 3.661 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001237991396 1042447096 /nfs/dbraw/zinc/44/70/96/1042447096.db2.gz HWXYXONQAOIWIC-BBRMVZONSA-N -1 3 381.904 3.738 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001238145578 1042502808 /nfs/dbraw/zinc/50/28/08/1042502808.db2.gz GWWFHMPJWKXMLI-OAHLLOKOSA-N -1 3 395.381 3.545 20 0 GHADHM CN1C(=O)C2(CCN(Cc3cc(Cl)c([O-])cc3F)CC2)[C@H]1c1ccccc1 ZINC001238146281 1042503525 /nfs/dbraw/zinc/50/35/25/1042503525.db2.gz GLSMPVMBMHJRBV-LJQANCHMSA-N -1 3 388.870 3.980 20 0 GHADHM NC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149973 1042505679 /nfs/dbraw/zinc/50/56/79/1042505679.db2.gz MRUPQGBQQYBOOP-MJGOQNOKSA-N -1 3 376.859 3.808 20 0 GHADHM C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233225 1042527687 /nfs/dbraw/zinc/52/76/87/1042527687.db2.gz JVDAIOBFMRHQHC-KGLIPLIRSA-N -1 3 380.460 3.649 20 0 GHADHM CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238236566 1042528734 /nfs/dbraw/zinc/52/87/34/1042528734.db2.gz WIQLSNPMZRPVNU-HXUWFJFHSA-N -1 3 396.462 3.504 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238236806 1042528832 /nfs/dbraw/zinc/52/88/32/1042528832.db2.gz RTAPZUOWXJOZEA-KHYOSLBOSA-N -1 3 390.499 3.819 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240786568 1042954398 /nfs/dbraw/zinc/95/43/98/1042954398.db2.gz NKIWRSQMEQPSTL-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC001256534164 1043469373 /nfs/dbraw/zinc/46/93/73/1043469373.db2.gz WRXCRBGGWWKILI-JTQLQIEISA-N -1 3 386.709 3.720 20 0 GHADHM CN(C)c1ccc2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)ccc2n1 ZINC001292168411 1043610834 /nfs/dbraw/zinc/61/08/34/1043610834.db2.gz UKCCPWJWVJHFHF-UHFFFAOYSA-N -1 3 394.381 3.673 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC001292532815 1043775464 /nfs/dbraw/zinc/77/54/64/1043775464.db2.gz XXHBHMPXELYWII-UHFFFAOYSA-N -1 3 398.503 3.952 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2Cl)cc1OC ZINC001257021536 1043806121 /nfs/dbraw/zinc/80/61/21/1043806121.db2.gz FBPHGOGZRSICIP-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM O=C(c1cccc([O-])c1Cl)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278996873 1043908786 /nfs/dbraw/zinc/90/87/86/1043908786.db2.gz YKCAPBWDECETED-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM CCCC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC001292937856 1043953211 /nfs/dbraw/zinc/95/32/11/1043953211.db2.gz ZKGQQYCEUPPAFM-HXUWFJFHSA-N -1 3 398.503 3.877 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cn1 ZINC001257299876 1043960494 /nfs/dbraw/zinc/96/04/94/1043960494.db2.gz BMCNORLLHAQSFG-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1F)c1ccccc1Br ZINC001257338009 1043968048 /nfs/dbraw/zinc/96/80/48/1043968048.db2.gz IKESQZHNJVBRTE-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COc1c(F)cc(F)cc1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257437559 1043998571 /nfs/dbraw/zinc/99/85/71/1043998571.db2.gz DFRXHHAXCPBELE-UHFFFAOYSA-N -1 3 388.244 3.820 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC001257562421 1044045859 /nfs/dbraw/zinc/04/58/59/1044045859.db2.gz VICLGHSBIFZOII-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001293193529 1044059319 /nfs/dbraw/zinc/05/93/19/1044059319.db2.gz YEZGAQIKLLIAQR-INIZCTEOSA-N -1 3 397.406 3.782 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)nc1)c1c(Cl)cccc1Cl ZINC001257661756 1044107944 /nfs/dbraw/zinc/10/79/44/1044107944.db2.gz QDYZIRHUUWGPOF-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]CCC1CCC2(CC1)OCCO2)c1c(Cl)cccc1Cl ZINC001257780455 1044167268 /nfs/dbraw/zinc/16/72/68/1044167268.db2.gz RGVBNTHOJGDZQO-UHFFFAOYSA-N -1 3 394.320 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2cc(F)ccc21)c1c(Cl)cccc1Cl ZINC001257780263 1044167640 /nfs/dbraw/zinc/16/76/40/1044167640.db2.gz LNYHFIDXNIYENC-CYBMUJFWSA-N -1 3 376.236 3.935 20 0 GHADHM C[C@@H]1CN(CCc2nnc(-c3cccc(-c4ccccc4)c3[O-])o2)C[C@H](C)O1 ZINC001258019985 1044346086 /nfs/dbraw/zinc/34/60/86/1044346086.db2.gz PMXXYAHAFGJDEV-IYBDPMFKSA-N -1 3 379.460 3.761 20 0 GHADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001294134493 1044489555 /nfs/dbraw/zinc/48/95/55/1044489555.db2.gz JYZXRMCXNIYZOF-UHFFFAOYSA-N -1 3 398.846 3.884 20 0 GHADHM COc1ccccc1-c1ccc(CN(C(=O)c2cc(=O)[n-]cn2)C(C)C)cc1 ZINC001294199751 1044521377 /nfs/dbraw/zinc/52/13/77/1044521377.db2.gz MLKPEVTYLDTQKX-UHFFFAOYSA-N -1 3 377.444 3.909 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCCCCCCCCCCO ZINC001258464913 1044572475 /nfs/dbraw/zinc/57/24/75/1044572475.db2.gz FJMMEGVRKBDDCO-UHFFFAOYSA-N -1 3 393.981 3.554 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](O)c1ccc(F)cc1 ZINC001294752843 1044783676 /nfs/dbraw/zinc/78/36/76/1044783676.db2.gz CODONGAYQFMCAW-OYHNWAKOSA-N -1 3 379.431 3.974 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2Cl)c(OC)c1 ZINC001258959619 1044907092 /nfs/dbraw/zinc/90/70/92/1044907092.db2.gz FZWQSNLMXVCIDZ-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ncccc12)c1ccc(Br)s1 ZINC001259061204 1044941928 /nfs/dbraw/zinc/94/19/28/1044941928.db2.gz SEBOZAXRZAXUAI-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2Cl)c(C)c1 ZINC001259096005 1044959420 /nfs/dbraw/zinc/95/94/20/1044959420.db2.gz YSBOOFYOFHZUJM-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3cnccc32)c(Br)n1 ZINC001259151490 1044980232 /nfs/dbraw/zinc/98/02/32/1044980232.db2.gz KUNNAQQIYSGRBS-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)cc1C ZINC001259162740 1044985925 /nfs/dbraw/zinc/98/59/25/1044985925.db2.gz MREKMOAEXHKPKO-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1Br ZINC001259204066 1045007237 /nfs/dbraw/zinc/00/72/37/1045007237.db2.gz BAXYLXXZBOHBMO-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)([N-]c1cnncc1Br)c1cccc(-c2ccccc2)c1 ZINC001259227189 1045020855 /nfs/dbraw/zinc/02/08/55/1045020855.db2.gz FNUAFJGYQWPIQS-UHFFFAOYSA-N -1 3 390.262 3.707 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1-c1ccccc1 ZINC001259344734 1045091628 /nfs/dbraw/zinc/09/16/28/1045091628.db2.gz PEFNHTAIKISONY-UHFFFAOYSA-N -1 3 397.452 3.934 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC001259349628 1045093931 /nfs/dbraw/zinc/09/39/31/1045093931.db2.gz VKHAYWIIPZRBKU-UHFFFAOYSA-N -1 3 393.770 3.974 20 0 GHADHM CCOC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c1 ZINC001259432179 1045150207 /nfs/dbraw/zinc/15/02/07/1045150207.db2.gz MIKSYRHYOGMQRF-UHFFFAOYSA-N -1 3 399.415 3.585 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC)c([O-])c1 ZINC001295837042 1045161958 /nfs/dbraw/zinc/16/19/58/1045161958.db2.gz OHZZCXFAYJENLD-UHFFFAOYSA-N -1 3 399.472 3.669 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCC(F)(F)CC1 ZINC001259473238 1045186008 /nfs/dbraw/zinc/18/60/08/1045186008.db2.gz JTCWQEYSCXQHBH-UHFFFAOYSA-N -1 3 399.862 3.990 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2[nH]cc(I)c2c1 ZINC001295978922 1045204651 /nfs/dbraw/zinc/20/46/51/1045204651.db2.gz JZDAQDUVVSGMEP-UHFFFAOYSA-N -1 3 396.159 3.870 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259501390 1045207304 /nfs/dbraw/zinc/20/73/04/1045207304.db2.gz JFURPNQCYKTATL-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1cc(NC(=O)N2CCCCC2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001259558929 1045232464 /nfs/dbraw/zinc/23/24/64/1045232464.db2.gz FDUZCPMTAPUGKZ-UHFFFAOYSA-N -1 3 391.468 3.953 20 0 GHADHM O=S(=O)([N-]c1c(Br)cc(F)cc1C(F)(F)F)c1cccnc1 ZINC001259607371 1045242210 /nfs/dbraw/zinc/24/22/10/1045242210.db2.gz CEPZAQQWBPYKBU-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cccnc2C(F)(F)F)C2CC2)c1 ZINC001259641961 1045255675 /nfs/dbraw/zinc/25/56/75/1045255675.db2.gz OJUSZSDLBCVKNT-OAHLLOKOSA-N -1 3 388.386 3.978 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccsc1Cl ZINC001296291788 1045296567 /nfs/dbraw/zinc/29/65/67/1045296567.db2.gz QIHGWZIZRJZFEL-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc2ccccc2c1 ZINC001259863652 1045323488 /nfs/dbraw/zinc/32/34/88/1045323488.db2.gz KAGYEHKSXFAHNW-NRFANRHFSA-N -1 3 395.480 3.521 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cnn(Cc2ccccc2)c1 ZINC001260027335 1045362207 /nfs/dbraw/zinc/36/22/07/1045362207.db2.gz DEWYWDSRSWPGRN-UHFFFAOYSA-N -1 3 395.406 3.892 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC001260033343 1045364991 /nfs/dbraw/zinc/36/49/91/1045364991.db2.gz OLAGFPZGKZJWAA-UHFFFAOYSA-N -1 3 375.368 3.665 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)ccc2o1 ZINC001260147945 1045398514 /nfs/dbraw/zinc/39/85/14/1045398514.db2.gz HJMGKEVLPIRZHF-UHFFFAOYSA-N -1 3 394.408 3.781 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cnccc21)c1ccc(Br)cc1F ZINC001260381379 1045483822 /nfs/dbraw/zinc/48/38/22/1045483822.db2.gz AGOSTHKTLCIWHS-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1I ZINC001260411477 1045487935 /nfs/dbraw/zinc/48/79/35/1045487935.db2.gz RQXPWFUZEZSTAQ-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1 ZINC001297358383 1045502244 /nfs/dbraw/zinc/50/22/44/1045502244.db2.gz OHLHSKIUSAKVHQ-UHFFFAOYSA-N -1 3 395.846 3.781 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])n[nH]1 ZINC001297452113 1045527975 /nfs/dbraw/zinc/52/79/75/1045527975.db2.gz SOSGQDHCYMBIKU-NEPJUHHUSA-N -1 3 382.420 3.587 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])c(C)cc1Br ZINC001297518461 1045549242 /nfs/dbraw/zinc/54/92/42/1045549242.db2.gz QTRLHCSTUPGQHJ-UHFFFAOYSA-N -1 3 378.222 3.810 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1 ZINC001260570432 1045556479 /nfs/dbraw/zinc/55/64/79/1045556479.db2.gz ZOXBKMBPYWTIEL-UHFFFAOYSA-N -1 3 399.509 3.763 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)cc2Br)cc1C ZINC001260633636 1045583438 /nfs/dbraw/zinc/58/34/38/1045583438.db2.gz PICNLSXWOCHPDW-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC001260693892 1045611684 /nfs/dbraw/zinc/61/16/84/1045611684.db2.gz AMZNVWQRAPSANQ-UHFFFAOYSA-N -1 3 385.844 3.906 20 0 GHADHM CC(=O)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001260718553 1045624090 /nfs/dbraw/zinc/62/40/90/1045624090.db2.gz HDCDEUFNQIAEDZ-UHFFFAOYSA-N -1 3 375.446 3.516 20 0 GHADHM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001260718571 1045625830 /nfs/dbraw/zinc/62/58/30/1045625830.db2.gz HSZLWITUPXCFRT-UHFFFAOYSA-N -1 3 389.517 3.824 20 0 GHADHM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC001260856528 1045717406 /nfs/dbraw/zinc/71/74/06/1045717406.db2.gz ZTXBUUAYHQVWMM-UHFFFAOYSA-N -1 3 387.274 3.845 20 0 GHADHM O=C1Cc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2C1 ZINC001260918726 1045772280 /nfs/dbraw/zinc/77/22/80/1045772280.db2.gz FYRAARTWVAHURF-UHFFFAOYSA-N -1 3 379.437 3.947 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298318482 1045773731 /nfs/dbraw/zinc/77/37/31/1045773731.db2.gz SIWQTHXRIMRLIA-LSDHHAIUSA-N -1 3 388.468 3.681 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC)c1ccc(F)cc1 ZINC001261061817 1045880732 /nfs/dbraw/zinc/88/07/32/1045880732.db2.gz NKAQDDTVCMVXLH-LLVKDONJSA-N -1 3 391.873 3.757 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)Cc2ccccc2O1 ZINC001298716548 1045928483 /nfs/dbraw/zinc/92/84/83/1045928483.db2.gz KWENCBWWICYACJ-GFCCVEGCSA-N -1 3 389.477 3.913 20 0 GHADHM CC(=O)c1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)c1[O-] ZINC001298744998 1045937132 /nfs/dbraw/zinc/93/71/32/1045937132.db2.gz YGKYKFSRTNPEEW-UHFFFAOYSA-N -1 3 387.486 3.947 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)[n-]n1 ZINC001299811960 1046048667 /nfs/dbraw/zinc/04/86/67/1046048667.db2.gz XYCSPMLSRPFROF-UHFFFAOYSA-N -1 3 391.427 3.848 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)n[n-]1 ZINC001299811960 1046048675 /nfs/dbraw/zinc/04/86/75/1046048675.db2.gz XYCSPMLSRPFROF-UHFFFAOYSA-N -1 3 391.427 3.848 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC3CC(C)(C)C3)c2)c1 ZINC001301209704 1046404706 /nfs/dbraw/zinc/40/47/06/1046404706.db2.gz BCXRNCOSBAXFMR-UHFFFAOYSA-N -1 3 398.459 3.580 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)cc1[O-] ZINC001301827823 1046722306 /nfs/dbraw/zinc/72/23/06/1046722306.db2.gz FNCHMUBVHDNYJV-GFCCVEGCSA-N -1 3 388.851 3.726 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001301891480 1046748441 /nfs/dbraw/zinc/74/84/41/1046748441.db2.gz DKTRCHRZAMXXOV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001301891480 1046748454 /nfs/dbraw/zinc/74/84/54/1046748454.db2.gz DKTRCHRZAMXXOV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(Br)n1 ZINC001463142479 1070848061 /nfs/dbraw/zinc/84/80/61/1070848061.db2.gz HAZNIBFZSNLRCL-CABCVRRESA-N -1 3 395.322 3.534 20 0 GHADHM COc1cc(OC)nc(C(=O)[N-]c2nc3ccc(SC(F)F)cc3s2)n1 ZINC001264166383 1047257597 /nfs/dbraw/zinc/25/75/97/1047257597.db2.gz ZMGAFUHHCNAEPV-UHFFFAOYSA-N -1 3 398.416 3.671 20 0 GHADHM CCc1nnc([N-]C(=O)c2nc(C(C)C)ncc2OCc2ccccc2)s1 ZINC001264181247 1047261989 /nfs/dbraw/zinc/26/19/89/1047261989.db2.gz FWWVTJNVHVFCDF-UHFFFAOYSA-N -1 3 383.477 3.845 20 0 GHADHM CC(=CC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccccc1OC(F)F ZINC001303256530 1047326019 /nfs/dbraw/zinc/32/60/19/1047326019.db2.gz JMKZKWFGTIHGOT-DHZHZOJOSA-N -1 3 387.386 3.607 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000594027161 1047352656 /nfs/dbraw/zinc/35/26/56/1047352656.db2.gz PNLQMMFFTYGUHQ-VIFPVBQESA-N -1 3 387.324 3.649 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2ccc(Cn3ccnn3)o2)s1)c1ccccc1 ZINC001264488839 1047359826 /nfs/dbraw/zinc/35/98/26/1047359826.db2.gz GMMITBDKKBBEIB-OAHLLOKOSA-N -1 3 394.460 3.565 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)cc2C)c1 ZINC001303404577 1047383921 /nfs/dbraw/zinc/38/39/21/1047383921.db2.gz PPKVZWAPCHJZHF-GFCCVEGCSA-N -1 3 397.406 3.879 20 0 GHADHM C[C@@H](CC(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C(F)(F)F)cc1 ZINC001303519914 1047411111 /nfs/dbraw/zinc/41/11/11/1047411111.db2.gz ZVUSQGPCZDUROW-NSHDSACASA-N -1 3 379.382 3.888 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)s1 ZINC001463219154 1070918996 /nfs/dbraw/zinc/91/89/96/1070918996.db2.gz QGFYPKRJVYVOFF-UHFFFAOYSA-N -1 3 379.532 3.616 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)C2CC2)s1 ZINC001463208419 1070911231 /nfs/dbraw/zinc/91/12/31/1070911231.db2.gz KPAMTMNIFNVTSB-MRXNPFEDSA-N -1 3 384.498 3.807 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)c(F)c1F ZINC001463226139 1070923983 /nfs/dbraw/zinc/92/39/83/1070923983.db2.gz ZECSWDCPIUAEPF-JTQLQIEISA-N -1 3 397.378 3.502 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccnc1 ZINC001463234309 1070929612 /nfs/dbraw/zinc/92/96/12/1070929612.db2.gz DJZQVEDAXRDVBW-QGZVFWFLSA-N -1 3 387.530 3.923 20 0 GHADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(C)C ZINC001463237558 1070932028 /nfs/dbraw/zinc/93/20/28/1070932028.db2.gz KRXDJUKQHGIRDC-CQSZACIVSA-N -1 3 396.322 3.626 20 0 GHADHM COC(=O)c1cc(NC(=O)COc2ccccc2C(C)(C)C)c([O-])c(OC)c1 ZINC001304498461 1047693674 /nfs/dbraw/zinc/69/36/74/1047693674.db2.gz OSAVVHQPBQYZKU-UHFFFAOYSA-N -1 3 387.432 3.502 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1ccc(Cl)c([O-])c1)CC2 ZINC001279227621 1047745052 /nfs/dbraw/zinc/74/50/52/1047745052.db2.gz BLEOADCTUVHCMF-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM Cn1nccc1C[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001305890378 1048285952 /nfs/dbraw/zinc/28/59/52/1048285952.db2.gz JXLCHWQYKKISLR-KRWDZBQOSA-N -1 3 377.444 3.765 20 0 GHADHM CCCCOc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)c([O-])c1 ZINC001306388939 1048634736 /nfs/dbraw/zinc/63/47/36/1048634736.db2.gz QGGZSQRFKZJJOG-UHFFFAOYSA-N -1 3 397.397 3.827 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(N4CCSCC4)cc3C)c(=O)c2c1 ZINC001306454841 1048675269 /nfs/dbraw/zinc/67/52/69/1048675269.db2.gz UCXWMNAYPFJMKR-UHFFFAOYSA-N -1 3 393.512 3.950 20 0 GHADHM Cc1cc(C(F)(F)C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cnc1Cl ZINC001306601627 1048761726 /nfs/dbraw/zinc/76/17/26/1048761726.db2.gz VDORZVLYYNUWDS-UHFFFAOYSA-N -1 3 399.735 3.837 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1cnn2cccnc12 ZINC001287618339 1048852221 /nfs/dbraw/zinc/85/22/21/1048852221.db2.gz RUUFVTYFCUFWED-UHFFFAOYSA-N -1 3 390.350 3.519 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)c2c1=O ZINC001306864154 1048933998 /nfs/dbraw/zinc/93/39/98/1048933998.db2.gz JSHXEPVFAGGREM-IBGZPJMESA-N -1 3 394.475 3.692 20 0 GHADHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC001289056730 1049306105 /nfs/dbraw/zinc/30/61/05/1049306105.db2.gz HQGVLFCSWNJBSQ-UHFFFAOYSA-N -1 3 393.346 3.661 20 0 GHADHM C[C@@H](CCO)N(Cc1ccccc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001307608651 1049447632 /nfs/dbraw/zinc/44/76/32/1049447632.db2.gz GSBVFJYZNOPMFH-AWEZNQCLSA-N -1 3 387.863 3.925 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3sccc3Br)nc21 ZINC001289643717 1049573002 /nfs/dbraw/zinc/57/30/02/1049573002.db2.gz ISHXUZZRVBWPEE-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCc3cccc(OCC)c3)nc21 ZINC001289643835 1049574631 /nfs/dbraw/zinc/57/46/31/1049574631.db2.gz JMLQYPSRHJYZFB-UHFFFAOYSA-N -1 3 381.432 3.710 20 0 GHADHM CCc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c([O-])c1 ZINC001290027283 1049713893 /nfs/dbraw/zinc/71/38/93/1049713893.db2.gz XMZKLIAMACZKQY-UHFFFAOYSA-N -1 3 376.859 3.705 20 0 GHADHM CO[N-]C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001290648442 1049893668 /nfs/dbraw/zinc/89/36/68/1049893668.db2.gz GTSMTDSSAMOGCG-INIZCTEOSA-N -1 3 394.471 3.715 20 0 GHADHM CN(C)c1ccccc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001290805486 1049928213 /nfs/dbraw/zinc/92/82/13/1049928213.db2.gz FGERQMNJPUASEL-UHFFFAOYSA-N -1 3 391.349 3.745 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])c(C)n1-c1cnccn1 ZINC001290874726 1049942226 /nfs/dbraw/zinc/94/22/26/1049942226.db2.gz AYPIDFIWYZOTSS-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC001308787734 1050094099 /nfs/dbraw/zinc/09/40/99/1050094099.db2.gz YERRWJYKAWPXPG-UHFFFAOYSA-N -1 3 378.447 3.869 20 0 GHADHM CC[C@](NCc1cccc([O-])c1Br)(C(=O)OC)c1ccccc1 ZINC001308893475 1050143703 /nfs/dbraw/zinc/14/37/03/1050143703.db2.gz WDNMVSSKTBVKNX-GOSISDBHSA-N -1 3 378.266 3.723 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC001327603572 1050230756 /nfs/dbraw/zinc/23/07/56/1050230756.db2.gz JWGJDMCARSLOCV-INIZCTEOSA-N -1 3 383.414 3.681 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cnc(-c2ccccc2)s1 ZINC001308999031 1050259571 /nfs/dbraw/zinc/25/95/71/1050259571.db2.gz OMRYNSCBPLDLHO-UHFFFAOYSA-N -1 3 378.906 3.985 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCSCc2ccccc2F)cc1F ZINC001309016889 1050275383 /nfs/dbraw/zinc/27/53/83/1050275383.db2.gz KFUQPJDADJKSBL-UHFFFAOYSA-N -1 3 375.437 3.624 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001327997662 1050351418 /nfs/dbraw/zinc/35/14/18/1050351418.db2.gz CCAYEMCYPFINMY-JTQLQIEISA-N -1 3 398.834 3.524 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001309122196 1050378705 /nfs/dbraw/zinc/37/87/05/1050378705.db2.gz ONPKHSWKWIWSCW-DZKIICNBSA-N -1 3 385.501 3.599 20 0 GHADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001309128882 1050387006 /nfs/dbraw/zinc/38/70/06/1050387006.db2.gz XKWMGYDOFABSIH-LBPRGKRZSA-N -1 3 386.286 3.806 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC001309130112 1050387616 /nfs/dbraw/zinc/38/76/16/1050387616.db2.gz IJTAOUFLUGTZML-IBGZPJMESA-N -1 3 398.532 3.666 20 0 GHADHM COc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001309185139 1050443804 /nfs/dbraw/zinc/44/38/04/1050443804.db2.gz TUBILKALHHKVDG-UHFFFAOYSA-N -1 3 380.318 3.893 20 0 GHADHM O=S(=O)([N-]C/C=C\c1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC001309350616 1050624537 /nfs/dbraw/zinc/62/45/37/1050624537.db2.gz UWDWWVFDFCHFQQ-YVMONPNESA-N -1 3 375.343 3.716 20 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/nfs/dbraw/zinc/79/88/00/1050798800.db2.gz GEWVDEAISJPHDY-JTQLQIEISA-N -1 3 398.775 3.832 20 0 GHADHM Cc1ccc(Br)c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001309592145 1050843033 /nfs/dbraw/zinc/84/30/33/1050843033.db2.gz VFAQEFDYAOQLPN-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@H]1CC1(C)C ZINC001309599188 1050850076 /nfs/dbraw/zinc/85/00/76/1050850076.db2.gz BSRSCJAQHIDTMU-MFKMUULPSA-N -1 3 378.307 4.000 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCCC(C)(C)C1 ZINC001309692766 1050923419 /nfs/dbraw/zinc/92/34/19/1050923419.db2.gz MAGFYXOLFDCBRR-ZPHJMFTNSA-N -1 3 385.913 3.742 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccco1 ZINC001309728813 1050942778 /nfs/dbraw/zinc/94/27/78/1050942778.db2.gz GVDJVSKRHOBXEN-UHFFFAOYSA-N -1 3 398.362 3.964 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1F)c1csc(-c2ccccc2)n1 ZINC001309732094 1050944230 /nfs/dbraw/zinc/94/42/30/1050944230.db2.gz HWGFJYWVAUBMLS-GOEBONIOSA-N -1 3 392.452 3.923 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)c2ccccn2)s1 ZINC001309765818 1050963465 /nfs/dbraw/zinc/96/34/65/1050963465.db2.gz UQUOFJJHLYVEJF-KRWDZBQOSA-N -1 3 387.530 3.753 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(C(F)F)o1 ZINC001309775734 1050968115 /nfs/dbraw/zinc/96/81/15/1050968115.db2.gz GDPSJALGBXTJCF-HNNXBMFYSA-N -1 3 384.448 3.550 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(F)c2ccccc12 ZINC001309780818 1050970562 /nfs/dbraw/zinc/97/05/62/1050970562.db2.gz LTXTZAVHPHRKSV-UHFFFAOYSA-N -1 3 397.349 3.557 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CCC2)s1 ZINC001309790921 1050975233 /nfs/dbraw/zinc/97/52/33/1050975233.db2.gz ABYQNSDJWJHMQR-GFCCVEGCSA-N -1 3 394.356 3.589 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2CC[C@@H]1F)c1cscc1Br ZINC001309796439 1050977471 /nfs/dbraw/zinc/97/74/71/1050977471.db2.gz HRPYMTBITVAHKV-GXTWGEPZSA-N -1 3 390.299 3.815 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@H]1c2ccccc2CC[C@H]1F ZINC001309796586 1050977494 /nfs/dbraw/zinc/97/74/94/1050977494.db2.gz LFRSWDHMKZJFGX-QUCCMNQESA-N -1 3 386.448 3.787 20 0 GHADHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC001309857244 1051008495 /nfs/dbraw/zinc/00/84/95/1051008495.db2.gz MGRRDXSBARLEHI-GUDVDZBRSA-N -1 3 375.465 3.567 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001310318290 1051286633 /nfs/dbraw/zinc/28/66/33/1051286633.db2.gz CJAFMKOIYCKBRW-ZETCQYMHSA-N -1 3 381.280 3.811 20 0 GHADHM CCN(CC)[C@@H](C(=O)OCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC001331525954 1051312349 /nfs/dbraw/zinc/31/23/49/1051312349.db2.gz NHNXPZBAPBSVGD-LJQANCHMSA-N -1 3 381.432 3.569 20 0 GHADHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Br)c(C)o1 ZINC001332782101 1051574331 /nfs/dbraw/zinc/57/43/31/1051574331.db2.gz BABKWIWHABQBIL-VIFPVBQESA-N -1 3 376.247 3.838 20 0 GHADHM CC(C)OC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC001475645533 1052407508 /nfs/dbraw/zinc/40/75/08/1052407508.db2.gz LINAIUNFKKTRGE-UHFFFAOYSA-N -1 3 385.835 3.985 20 0 GHADHM Cc1ccc(N(C(=O)c2c[n-]c3ccccc3c2=O)C2CCOCC2)cc1F ZINC001337617009 1052516992 /nfs/dbraw/zinc/51/69/92/1052516992.db2.gz HFMNIBXRTCRYTC-UHFFFAOYSA-N -1 3 380.419 3.801 20 0 GHADHM Cc1nc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2CC(C)C)cc(=O)[n-]1 ZINC001343024599 1053504319 /nfs/dbraw/zinc/50/43/19/1053504319.db2.gz CHFQLVNRJWMWBC-UHFFFAOYSA-N -1 3 398.898 3.621 20 0 GHADHM O=C(/C=C\c1cc(Cl)cc(Cl)c1)OCC(=O)[N-]C(=O)c1cccs1 ZINC001317738082 1054241314 /nfs/dbraw/zinc/24/13/14/1054241314.db2.gz SDMHGNDDFPRUBU-ARJAWSKDSA-N -1 3 384.240 3.568 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)CCc3c(C)nc[n-]c3=O)cs2)cc1 ZINC001317818893 1054268103 /nfs/dbraw/zinc/26/81/03/1054268103.db2.gz NAEWORMNVCNQOR-UHFFFAOYSA-N -1 3 399.472 3.689 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC001317915819 1054307814 /nfs/dbraw/zinc/30/78/14/1054307814.db2.gz SONUGPJQRWDFDJ-INIZCTEOSA-N -1 3 390.281 3.549 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC001318065152 1054383556 /nfs/dbraw/zinc/38/35/56/1054383556.db2.gz FKJWHCWXIJBYDD-UHFFFAOYSA-N -1 3 391.406 3.744 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@@H](c4ccccc4)C[C@H]3C)n2CC(C)C)cc(=O)[n-]1 ZINC001344501976 1054527360 /nfs/dbraw/zinc/52/73/60/1054527360.db2.gz XFUKZFMDWGDOCB-QAPCUYQASA-N -1 3 392.507 3.788 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001318486731 1054671535 /nfs/dbraw/zinc/67/15/35/1054671535.db2.gz VUAUHSFNRCGTGJ-QWHCGFSZSA-N -1 3 389.293 3.943 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3sc4cccc(F)c4c3C)CCCC2)no1 ZINC001319219944 1055102062 /nfs/dbraw/zinc/10/20/62/1055102062.db2.gz SEJVVXXMTDLELH-UHFFFAOYSA-N -1 3 395.481 3.788 20 0 GHADHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])n1 ZINC001319712297 1055416954 /nfs/dbraw/zinc/41/69/54/1055416954.db2.gz QRKQNXIYFMYNEV-AWEZNQCLSA-N -1 3 390.281 3.575 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(-n3ccc(C)n3)c2)c(C(=O)OCC)[n-]1 ZINC001321076908 1056082114 /nfs/dbraw/zinc/08/21/14/1056082114.db2.gz XMWBWJVPRXSEFD-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1ccc(-c2ccccc2Cl)o1 ZINC001321113068 1056099345 /nfs/dbraw/zinc/09/93/45/1056099345.db2.gz JOOLOKWWGKCXCE-HNNXBMFYSA-N -1 3 380.231 3.693 20 0 GHADHM CC[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C1CCC(C)CC1 ZINC001321141178 1056115690 /nfs/dbraw/zinc/11/56/90/1056115690.db2.gz YJLZBIGEKOLIBJ-NRXISQOPSA-N -1 3 384.517 3.666 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)nn(C)c3Cl)c2)n1 ZINC001354078038 1056321985 /nfs/dbraw/zinc/32/19/85/1056321985.db2.gz ICEMIKXCHBLECJ-UHFFFAOYSA-N -1 3 392.246 3.704 20 0 GHADHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)cc1 ZINC001321960654 1056460040 /nfs/dbraw/zinc/46/00/40/1056460040.db2.gz QFSCLKZKCVOTQF-UHFFFAOYSA-N -1 3 381.457 3.713 20 0 GHADHM Cc1n[n-]c(S(=O)(=O)[C@H](C)c2ncc(-c3ccc(Cl)c(Cl)c3)o2)n1 ZINC001322052346 1056491673 /nfs/dbraw/zinc/49/16/73/1056491673.db2.gz OULYNXJKGNAUMD-SSDOTTSWSA-N -1 3 387.248 3.610 20 0 GHADHM Cc1nnc(S(=O)(=O)[C@H](C)c2ncc(-c3ccc(Cl)c(Cl)c3)o2)[n-]1 ZINC001322052346 1056491680 /nfs/dbraw/zinc/49/16/80/1056491680.db2.gz OULYNXJKGNAUMD-SSDOTTSWSA-N -1 3 387.248 3.610 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c(C)o1 ZINC001322937315 1056892155 /nfs/dbraw/zinc/89/21/55/1056892155.db2.gz WTKUGDDAFUXENF-UHFFFAOYSA-N -1 3 388.232 3.520 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1nc(-c2cccc(Cl)c2)no1 ZINC001323754598 1057008833 /nfs/dbraw/zinc/00/88/33/1057008833.db2.gz VVDDTNGQTWYTOJ-UHFFFAOYSA-N -1 3 396.831 3.513 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(OC)cc2C)cc1F ZINC001324498403 1057149714 /nfs/dbraw/zinc/14/97/14/1057149714.db2.gz SBMUPKAQYFUECD-UHFFFAOYSA-N -1 3 393.358 3.971 20 0 GHADHM CCOC(=O)C(=Cc1cc2n(n1)CCCC2)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000848638337 1057218413 /nfs/dbraw/zinc/21/84/13/1057218413.db2.gz GGYKHJGFLWSIGO-XNTDXEJSSA-N -1 3 398.488 3.650 20 0 GHADHM Cc1cc(Cl)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1C ZINC001325304720 1057309731 /nfs/dbraw/zinc/30/97/31/1057309731.db2.gz GVMZSACOOKJOJD-UHFFFAOYSA-N -1 3 396.871 3.789 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCCC(C)(C)C ZINC001475216243 1057341549 /nfs/dbraw/zinc/34/15/49/1057341549.db2.gz ICDADSXCCJHIOH-MRXNPFEDSA-N -1 3 389.945 3.560 20 0 GHADHM CC(C)c1nc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc(C(C)(C)C)n1 ZINC001325952945 1057387254 /nfs/dbraw/zinc/38/72/54/1057387254.db2.gz ZNEGZDCTMCBMRT-ZDUSSCGKSA-N -1 3 386.462 3.792 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3OC(F)F)nc21 ZINC001439999835 1058383027 /nfs/dbraw/zinc/38/30/27/1058383027.db2.gz VLYHJMRDTVCNFU-UHFFFAOYSA-N -1 3 389.358 3.522 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC001440648981 1058558237 /nfs/dbraw/zinc/55/82/37/1058558237.db2.gz AUHPXBCJSUHPBG-CQSZACIVSA-N -1 3 397.500 3.530 20 0 GHADHM COc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Cc1ccccc1 ZINC001440754716 1058611925 /nfs/dbraw/zinc/61/19/25/1058611925.db2.gz YSLWIXLCEZNLIN-UHFFFAOYSA-N -1 3 376.391 3.949 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1ccccc1C(F)(F)F ZINC001440964184 1058666046 /nfs/dbraw/zinc/66/60/46/1058666046.db2.gz BLWDHDQMRMDEME-ZHACJKMWSA-N -1 3 384.379 3.729 20 0 GHADHM C/C(=C\c1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001443640648 1059166492 /nfs/dbraw/zinc/16/64/92/1059166492.db2.gz LNTVBXWMUJTVJF-PKNBQFBNSA-N -1 3 399.394 3.514 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC001443905917 1059229921 /nfs/dbraw/zinc/22/99/21/1059229921.db2.gz CEFJQSVKBBCXLJ-KRWDZBQOSA-N -1 3 394.487 3.664 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1[O-] ZINC001444174265 1059277824 /nfs/dbraw/zinc/27/78/24/1059277824.db2.gz UOEJFIMPXZCDAM-UHFFFAOYSA-N -1 3 395.484 3.936 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(F)c2cccnc12 ZINC001445907562 1059652691 /nfs/dbraw/zinc/65/26/91/1059652691.db2.gz CYSXHRNSHOWCBQ-UHFFFAOYSA-N -1 3 375.197 3.772 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001447841215 1060047430 /nfs/dbraw/zinc/04/74/30/1060047430.db2.gz PAZYVHZKGQZNGP-ZDUSSCGKSA-N -1 3 380.510 3.634 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1cccc(F)c1Br ZINC001448588489 1060224582 /nfs/dbraw/zinc/22/45/82/1060224582.db2.gz INOSZARRRQHGOB-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001450605323 1060631526 /nfs/dbraw/zinc/63/15/26/1060631526.db2.gz IQIKGMHJSOCOAX-UHFFFAOYSA-N -1 3 378.469 3.864 20 0 GHADHM Cc1ccc(-c2[nH]nc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)c2C)o1 ZINC001450897521 1060711911 /nfs/dbraw/zinc/71/19/11/1060711911.db2.gz HZHLXUFEQOYDKH-UHFFFAOYSA-N -1 3 384.342 3.659 20 0 GHADHM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001452478249 1060944839 /nfs/dbraw/zinc/94/48/39/1060944839.db2.gz DJQKPPPBVKOQOO-WIYYLYMNSA-N -1 3 399.462 3.541 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC2(c3ccccc3Cl)CCC2)c([O-])c1 ZINC001452767554 1061007113 /nfs/dbraw/zinc/00/71/13/1061007113.db2.gz OLEJTDQFZZUMQM-UHFFFAOYSA-N -1 3 386.879 3.670 20 0 GHADHM O=C(Nc1nnc(Cc2ccccc2)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001452983944 1061058377 /nfs/dbraw/zinc/05/83/77/1061058377.db2.gz NHKBAFKSYXMDRY-UHFFFAOYSA-N -1 3 398.394 3.501 20 0 GHADHM C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001453413715 1061124746 /nfs/dbraw/zinc/12/47/46/1061124746.db2.gz FSBOKOWNXNFVIU-WAIKUNEKSA-N -1 3 394.471 3.797 20 0 GHADHM Cc1ccc([C@H]2CCCN2c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)cc1 ZINC001346100463 1061361522 /nfs/dbraw/zinc/36/15/22/1061361522.db2.gz CXVAPSYRUOVIOQ-LJQANCHMSA-N -1 3 390.491 3.809 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc(F)c(OCc3ccccc3)c(F)c1)C2 ZINC001454285918 1061698211 /nfs/dbraw/zinc/69/82/11/1061698211.db2.gz PEXVLAWLMGPSCA-UHFFFAOYSA-N -1 3 397.381 3.504 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 ZINC001454553824 1061839946 /nfs/dbraw/zinc/83/99/46/1061839946.db2.gz JUGMSMVDQXZGLF-CHWSQXEVSA-N -1 3 380.510 3.632 20 0 GHADHM COc1cc(C(=O)NCC2(c3cccc(Cl)c3)CCC2)cc(OC)c1[O-] ZINC001454872227 1061948775 /nfs/dbraw/zinc/94/87/75/1061948775.db2.gz UNRSPAWRJNWSNR-UHFFFAOYSA-N -1 3 375.852 3.915 20 0 GHADHM COc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)[n-]1 ZINC001545818846 1062022467 /nfs/dbraw/zinc/02/24/67/1062022467.db2.gz RAFBHYBTMCXJEU-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1nc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n[n-]1 ZINC001545818846 1062022496 /nfs/dbraw/zinc/02/24/96/1062022496.db2.gz RAFBHYBTMCXJEU-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1n[n-]c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC001545818846 1062022518 /nfs/dbraw/zinc/02/25/18/1062022518.db2.gz RAFBHYBTMCXJEU-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc([O-])c(Cl)c3)cc2)C[C@@H](C)O1 ZINC001455441228 1062148040 /nfs/dbraw/zinc/14/80/40/1062148040.db2.gz PGWUNFADIKJPKT-HUUCEWRRSA-N -1 3 388.895 3.585 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CCCO)c3ccccc3)c2)n1 ZINC001347353634 1062318772 /nfs/dbraw/zinc/31/87/72/1062318772.db2.gz ZCHJSAVBIHHYGK-FQEVSTJZSA-N -1 3 391.471 3.906 20 0 GHADHM O=C(NCc1cccc(OCC(F)(F)F)n1)c1cc([O-])c2ccccc2c1 ZINC001347373368 1062332272 /nfs/dbraw/zinc/33/22/72/1062332272.db2.gz QRZASJPJEAGQRK-UHFFFAOYSA-N -1 3 376.334 3.812 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383685 1062651360 /nfs/dbraw/zinc/65/13/60/1062651360.db2.gz LPNLDTWOBLELTJ-YUMQZZPRSA-N -1 3 378.807 3.835 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456385817 1062653052 /nfs/dbraw/zinc/65/30/52/1062653052.db2.gz QJHYACOMUPIDLT-DTWKUNHWSA-N -1 3 388.777 3.563 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456389318 1062654727 /nfs/dbraw/zinc/65/47/27/1062654727.db2.gz DZQJFPKTUBCWOE-RXMQYKEDSA-N -1 3 386.683 3.987 20 0 GHADHM COC(=O)c1cc(C)cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001456531805 1062735051 /nfs/dbraw/zinc/73/50/51/1062735051.db2.gz SCUXTDDZBRYYKL-UHFFFAOYSA-N -1 3 391.449 3.837 20 0 GHADHM O=C(N[C@@H]([C@H]1CCOC1)C(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456726809 1062827249 /nfs/dbraw/zinc/82/72/49/1062827249.db2.gz NJWUNKBRTPUPPI-LPHOPBHVSA-N -1 3 393.405 3.875 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4)n[n-]2)cc1 ZINC001457157862 1062993514 /nfs/dbraw/zinc/99/35/14/1062993514.db2.gz ACZGAVWGJSGGNB-UHFFFAOYSA-N -1 3 393.472 3.542 20 0 GHADHM CCOC(=O)C1(NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCCC1 ZINC001348450209 1063082910 /nfs/dbraw/zinc/08/29/10/1063082910.db2.gz TYIKMOVESORUPH-UHFFFAOYSA-N -1 3 387.461 3.622 20 0 GHADHM O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001457567297 1063252051 /nfs/dbraw/zinc/25/20/51/1063252051.db2.gz OGHDQYWEMCTXLY-UHFFFAOYSA-N -1 3 396.809 3.849 20 0 GHADHM CCc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1Br ZINC001457685840 1063311565 /nfs/dbraw/zinc/31/15/65/1063311565.db2.gz JMEBWZYMHKVWBT-UHFFFAOYSA-N -1 3 375.226 3.950 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(OC)c(F)c1 ZINC001436246427 1063325014 /nfs/dbraw/zinc/32/50/14/1063325014.db2.gz IVLHBGWGCCGHIV-UHFFFAOYSA-N -1 3 384.363 3.918 20 0 GHADHM CC(C)C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001457805529 1063376203 /nfs/dbraw/zinc/37/62/03/1063376203.db2.gz XLSLHXCLAFCEPD-CYBMUJFWSA-N -1 3 377.378 3.929 20 0 GHADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC001349150348 1063574276 /nfs/dbraw/zinc/57/42/76/1063574276.db2.gz HCQFVDTXMYUUQX-UHFFFAOYSA-N -1 3 379.434 3.755 20 0 GHADHM O=C(CCC1CCCCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001458155065 1063609212 /nfs/dbraw/zinc/60/92/12/1063609212.db2.gz NJIICKKZUUPWDG-UHFFFAOYSA-N -1 3 392.974 3.547 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2c(F)ccc(F)c2Cl)c1 ZINC001349357002 1063677354 /nfs/dbraw/zinc/67/73/54/1063677354.db2.gz BMTWPFBDZMZFBA-UHFFFAOYSA-N -1 3 380.199 3.927 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1ccc(N2CCCCC2)cc1 ZINC001349969663 1063955780 /nfs/dbraw/zinc/95/57/80/1063955780.db2.gz MJPPCRNFKNYLOQ-UHFFFAOYSA-N -1 3 379.416 3.790 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1C[C@]12CCCc1ccccc12 ZINC001349970875 1063956174 /nfs/dbraw/zinc/95/61/74/1063956174.db2.gz SGALDTDVYLQRED-VGSWGCGISA-N -1 3 376.412 3.780 20 0 GHADHM COC(=O)C=Cc1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c(OC)c1 ZINC001458898095 1063957997 /nfs/dbraw/zinc/95/79/97/1063957997.db2.gz NKJUGINSRSWXSQ-LUAWRHEFSA-N -1 3 392.411 3.623 20 0 GHADHM C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)c1ncccn1 ZINC001458907411 1063959032 /nfs/dbraw/zinc/95/90/32/1063959032.db2.gz HGHOYYMVHRHMTF-JTQLQIEISA-N -1 3 384.852 3.818 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)c1 ZINC001350092050 1063986335 /nfs/dbraw/zinc/98/63/35/1063986335.db2.gz XKZKPRWDSRHJFG-LJQANCHMSA-N -1 3 398.434 3.648 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)[C@@H]1CCCO1 ZINC001463460449 1064371332 /nfs/dbraw/zinc/37/13/32/1064371332.db2.gz ODPFPFHFZDBYPX-STQMWFEESA-N -1 3 396.734 3.647 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@@H]2C)s1 ZINC001463472539 1064385169 /nfs/dbraw/zinc/38/51/69/1064385169.db2.gz NGBZNWXNBAMSOD-SJCJKPOMSA-N -1 3 379.503 3.527 20 0 GHADHM CCOC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1conc1COC ZINC001351516603 1064494811 /nfs/dbraw/zinc/49/48/11/1064494811.db2.gz VDXOIVZWABLMMG-UHFFFAOYSA-N -1 3 386.429 3.979 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1cc(C(F)(F)F)ccc1F ZINC001463757169 1064589775 /nfs/dbraw/zinc/58/97/75/1064589775.db2.gz DESYYNPNWYUHOJ-SNVBAGLBSA-N -1 3 375.334 3.948 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)c1 ZINC001351776660 1064597732 /nfs/dbraw/zinc/59/77/32/1064597732.db2.gz UHCXOTOEAUWVMO-UHFFFAOYSA-N -1 3 393.487 3.603 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)c(F)cc1Br ZINC001463785007 1064616301 /nfs/dbraw/zinc/61/63/01/1064616301.db2.gz LIVHMWIDGUMXSI-UHFFFAOYSA-N -1 3 378.307 4.000 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c(F)cc1Br ZINC001463959564 1064740946 /nfs/dbraw/zinc/74/09/46/1064740946.db2.gz BXFULLKNANXTSB-KBPBESRZSA-N -1 3 398.297 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FMVYAGLUDCRVRU-MRXNPFEDSA-N -1 3 392.477 3.901 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC12CCCC2 ZINC001468969695 1067941108 /nfs/dbraw/zinc/94/11/08/1067941108.db2.gz UOYIDTDXVKIYOH-MRXNPFEDSA-N -1 3 384.929 3.752 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC001469175749 1068011432 /nfs/dbraw/zinc/01/14/32/1068011432.db2.gz BYVQKSRFNBQAPP-NEPJUHHUSA-N -1 3 398.297 3.737 20 0 GHADHM O=C(Nc1cnn(Cc2cc(F)ccc2Cl)c1)c1nnc2ccccc2c1[O-] ZINC001469278860 1068077897 /nfs/dbraw/zinc/07/78/97/1068077897.db2.gz GNGOALXBPNNYAJ-UHFFFAOYSA-N -1 3 397.797 3.625 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)[n-]n1 ZINC001469322804 1068102030 /nfs/dbraw/zinc/10/20/30/1068102030.db2.gz GNEWYJMPKXDDNL-UHFFFAOYSA-N -1 3 390.490 3.731 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)n[n-]1 ZINC001469322804 1068102034 /nfs/dbraw/zinc/10/20/34/1068102034.db2.gz GNEWYJMPKXDDNL-UHFFFAOYSA-N -1 3 390.490 3.731 20 0 GHADHM CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CCCc1ccc([O-])c(F)c1 ZINC001469542620 1068213846 /nfs/dbraw/zinc/21/38/46/1068213846.db2.gz REEHKTAZQDIMMD-UHFFFAOYSA-N -1 3 381.350 3.834 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(-c3ccc(C=O)s3)cc2)n1 ZINC001469699351 1068319117 /nfs/dbraw/zinc/31/91/17/1068319117.db2.gz MXBOSQYUHXWYEX-UHFFFAOYSA-N -1 3 381.457 3.697 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)CCCCC2 ZINC001469767182 1068371411 /nfs/dbraw/zinc/37/14/11/1068371411.db2.gz RYMCLMCHJWMBKZ-UHFFFAOYSA-N -1 3 398.937 3.587 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001469913492 1068466785 /nfs/dbraw/zinc/46/67/85/1068466785.db2.gz YLEGNTWDLFYZKJ-UHFFFAOYSA-N -1 3 392.521 3.728 20 0 GHADHM C[C@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001470170902 1068609033 /nfs/dbraw/zinc/60/90/33/1068609033.db2.gz LVWPKMJDGLWLKQ-ZDUSSCGKSA-N -1 3 381.863 3.662 20 0 GHADHM CCC1(CC)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@@H](C)[C@@H]1OC ZINC001478218233 1078770272 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20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001470788493 1072740247 /nfs/dbraw/zinc/74/02/47/1072740247.db2.gz CBTUOROSLBPUTQ-KDOFPFPSSA-N -1 3 398.264 3.546 20 0 GHADHM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001470793206 1072742683 /nfs/dbraw/zinc/74/26/83/1072742683.db2.gz YNZNDVPRMMRJRC-IYKSTZQJSA-N -1 3 396.528 3.721 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(Br)c(F)c2F)cc1[O-] ZINC001470893034 1072796453 /nfs/dbraw/zinc/79/64/53/1072796453.db2.gz IAIGPZAKXIRHQB-UHFFFAOYSA-N -1 3 384.176 3.566 20 0 GHADHM O=C([N-]Cc1ccncc1Br)C(F)(F)c1cccc(Cl)c1 ZINC001471038601 1072897399 /nfs/dbraw/zinc/89/73/99/1072897399.db2.gz MBFXRDKNJLVMMZ-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(CC4CC4)CC3)cs2)c1 ZINC001471603582 1073155061 /nfs/dbraw/zinc/15/50/61/1073155061.db2.gz JPTDACFSWFPEGJ-UHFFFAOYSA-N -1 3 399.516 3.648 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471677192 1073175308 /nfs/dbraw/zinc/17/53/08/1073175308.db2.gz KLHROZBKXMGXAO-UHFFFAOYSA-N -1 3 380.492 3.982 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471810948 1073224383 /nfs/dbraw/zinc/22/43/83/1073224383.db2.gz JDKCRHBONFAHBG-OAHLLOKOSA-N -1 3 376.460 3.595 20 0 GHADHM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC001472144476 1073345205 /nfs/dbraw/zinc/34/52/05/1073345205.db2.gz LRBGKCCMLQWQCC-UHFFFAOYSA-N -1 3 390.480 3.793 20 0 GHADHM COC(=O)c1cc2cc(NC(=O)c3nnc4ccccc4c3[O-])ccc2s1 ZINC001472238440 1073379480 /nfs/dbraw/zinc/37/94/80/1073379480.db2.gz CWLQDPTVYNTPGI-UHFFFAOYSA-N -1 3 379.397 3.589 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3c(C)cc(N(C)C)cc3C)nc21 ZINC001472300271 1073407447 /nfs/dbraw/zinc/40/74/47/1073407447.db2.gz DAFCADDSYBRIKB-UHFFFAOYSA-N -1 3 394.475 3.604 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)N3CCc4ccccc43)nc21 ZINC001472300305 1073407523 /nfs/dbraw/zinc/40/75/23/1073407523.db2.gz FENIPSWTBFUEOM-CQSZACIVSA-N -1 3 392.459 3.519 20 0 GHADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)C1(C)C ZINC001472357901 1073443955 /nfs/dbraw/zinc/44/39/55/1073443955.db2.gz YPCDSEBNDSIVLH-CVEARBPZSA-N -1 3 386.521 3.985 20 0 GHADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC001472494337 1073512404 /nfs/dbraw/zinc/51/24/04/1073512404.db2.gz GAGLJCCYERGTPR-AWEZNQCLSA-N -1 3 377.444 3.617 20 0 GHADHM CCc1nc(C)cc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC001472856816 1073696181 /nfs/dbraw/zinc/69/61/81/1073696181.db2.gz LXKIXNQQAOFFKO-ZDUSSCGKSA-N -1 3 378.398 3.651 20 0 GHADHM CCc1cc(=O)[n-]c(CN(Cc2cccc(Br)c2)CC2CC2)n1 ZINC001473449394 1073968083 /nfs/dbraw/zinc/96/80/83/1073968083.db2.gz RSHIFQODXGHYPF-UHFFFAOYSA-N -1 3 376.298 3.919 20 0 GHADHM COC(=O)[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1cccc2ccccc21 ZINC001473801685 1074148772 /nfs/dbraw/zinc/14/87/72/1074148772.db2.gz QZMHMDBWCDOFIA-HXUWFJFHSA-N -1 3 389.411 3.599 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1noc(Cc2ccccc2)n1 ZINC001474041418 1074245366 /nfs/dbraw/zinc/24/53/66/1074245366.db2.gz RPTCKRNRNNGKKE-GFCCVEGCSA-N -1 3 388.265 3.979 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC001474903879 1074624596 /nfs/dbraw/zinc/62/45/96/1074624596.db2.gz SSCHYRVLHYTRPS-UHFFFAOYSA-N -1 3 399.921 3.936 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC001474944687 1074644753 /nfs/dbraw/zinc/64/47/53/1074644753.db2.gz MYUGAJJKSVCKFN-GOSISDBHSA-N -1 3 385.407 3.932 20 0 GHADHM C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001474965005 1074656085 /nfs/dbraw/zinc/65/60/85/1074656085.db2.gz IFXKJNGUCFJLCC-LBPRGKRZSA-N -1 3 375.332 3.871 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CC1)CO2 ZINC001475076666 1074726296 /nfs/dbraw/zinc/72/62/96/1074726296.db2.gz DKBCJBFOORZGBW-MRXNPFEDSA-N -1 3 393.892 3.849 20 0 GHADHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC(C)(C)C(C)C ZINC001475177305 1074770999 /nfs/dbraw/zinc/77/09/99/1074770999.db2.gz ZMGCVBBUCPNHSX-PKOBYXMFSA-N -1 3 395.565 3.640 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(OC(F)(F)F)c1F ZINC001475239053 1074800200 /nfs/dbraw/zinc/80/02/00/1074800200.db2.gz HEEWCVSZLZAANW-NEPJUHHUSA-N -1 3 393.333 3.698 20 0 GHADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2cccc(Br)c2)n1 ZINC001475240365 1074800469 /nfs/dbraw/zinc/80/04/69/1074800469.db2.gz VFQILSLFYGMZCQ-IMRBUKKESA-N -1 3 399.335 3.649 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)c(F)c1 ZINC001475243243 1074802002 /nfs/dbraw/zinc/80/20/02/1074802002.db2.gz SKCGLVYBODHHAQ-LBPRGKRZSA-N -1 3 397.493 3.764 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)c1 ZINC001475424023 1074869394 /nfs/dbraw/zinc/86/93/94/1074869394.db2.gz NADSHPVXJUZEDW-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2C)CCC1 ZINC001475453665 1074880579 /nfs/dbraw/zinc/88/05/79/1074880579.db2.gz ZEMPRJXEGCVMOK-UHFFFAOYSA-N -1 3 393.892 3.793 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1Cl ZINC001475556005 1074913488 /nfs/dbraw/zinc/91/34/88/1074913488.db2.gz LGZLGVIGNKPVHV-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccsc2C(F)(F)F)cc1F ZINC001475557019 1074913886 /nfs/dbraw/zinc/91/38/86/1074913886.db2.gz OOHFHPBTGVBFEY-UHFFFAOYSA-N -1 3 381.372 3.587 20 0 GHADHM O=S(=O)([N-]Cc1ccc2cccnc2c1)c1csc(-c2ccccc2)n1 ZINC001475572605 1074917570 /nfs/dbraw/zinc/91/75/70/1074917570.db2.gz OVKVCJKVDUXFGB-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001475606870 1074925477 /nfs/dbraw/zinc/92/54/77/1074925477.db2.gz CHBRNWJHYTUTCF-UHFFFAOYSA-N -1 3 376.931 3.558 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC001475736419 1075011360 /nfs/dbraw/zinc/01/13/60/1075011360.db2.gz BQRFQZINDVXCGN-GWCFXTLKSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 ZINC001476196852 1075102260 /nfs/dbraw/zinc/10/22/60/1075102260.db2.gz KWMKKEHZQTYRIQ-GOSISDBHSA-N -1 3 386.496 3.588 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000072005595 205301689 /nfs/dbraw/zinc/30/16/89/205301689.db2.gz PKTKFYKDJOORKS-UHFFFAOYSA-N -1 3 388.489 3.588 20 0 GHADHM COC(=O)CCc1nnc([N-]C(=O)c2sc3cc(F)ccc3c2C)s1 ZINC000498650247 564905307 /nfs/dbraw/zinc/90/53/07/564905307.db2.gz XHJJDLNTZTTWRZ-UHFFFAOYSA-N -1 3 379.438 3.558 20 0 GHADHM COc1ccc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)nn1 ZINC000606159087 565961592 /nfs/dbraw/zinc/96/15/92/565961592.db2.gz YUBMYLDGGDHSBT-UHFFFAOYSA-N -1 3 393.881 3.535 20 0 GHADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736381724 598823598 /nfs/dbraw/zinc/82/35/98/598823598.db2.gz JXTCHRRBSDDWQZ-BDJLRTHQSA-N -1 3 388.374 3.607 20 0 GHADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736381724 598823599 /nfs/dbraw/zinc/82/35/99/598823599.db2.gz JXTCHRRBSDDWQZ-BDJLRTHQSA-N -1 3 388.374 3.607 20 0 GHADHM O=C(NCC1CCSCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738051195 598823868 /nfs/dbraw/zinc/82/38/68/598823868.db2.gz KPXYPNBSKWPBCP-UHFFFAOYSA-N -1 3 395.488 3.532 20 0 GHADHM O=C(NCC1CCSCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738051195 598823869 /nfs/dbraw/zinc/82/38/69/598823869.db2.gz KPXYPNBSKWPBCP-UHFFFAOYSA-N -1 3 395.488 3.532 20 0 GHADHM CS[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1ccccc1 ZINC000737170729 598831342 /nfs/dbraw/zinc/83/13/42/598831342.db2.gz LBHRNEWMXDOKPH-LJQANCHMSA-N -1 3 395.532 3.956 20 0 GHADHM CS[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1ccccc1 ZINC000737170729 598831343 /nfs/dbraw/zinc/83/13/43/598831343.db2.gz LBHRNEWMXDOKPH-LJQANCHMSA-N -1 3 395.532 3.956 20 0 GHADHM Cc1cccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000737384235 598831598 /nfs/dbraw/zinc/83/15/98/598831598.db2.gz JOZOXAGNVHUVDH-KRWDZBQOSA-N -1 3 377.492 3.963 20 0 GHADHM Cc1cccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000737384235 598831600 /nfs/dbraw/zinc/83/16/00/598831600.db2.gz JOZOXAGNVHUVDH-KRWDZBQOSA-N -1 3 377.492 3.963 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110776 598839499 /nfs/dbraw/zinc/83/94/99/598839499.db2.gz CJFNOKHAPMQPSX-AOMKIAJQSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110776 598839501 /nfs/dbraw/zinc/83/95/01/598839501.db2.gz CJFNOKHAPMQPSX-AOMKIAJQSA-N -1 3 390.491 3.691 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1OC(C)C ZINC000736634613 598850705 /nfs/dbraw/zinc/85/07/05/598850705.db2.gz NVAGYUDCGPTZGE-UHFFFAOYSA-N -1 3 382.424 3.697 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1OC(C)C ZINC000736634613 598850707 /nfs/dbraw/zinc/85/07/07/598850707.db2.gz NVAGYUDCGPTZGE-UHFFFAOYSA-N -1 3 382.424 3.697 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895466 598858673 /nfs/dbraw/zinc/85/86/73/598858673.db2.gz JTBGHFSATHSGTH-KUHUBIRLSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895466 598858674 /nfs/dbraw/zinc/85/86/74/598858674.db2.gz JTBGHFSATHSGTH-KUHUBIRLSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895467 598858748 /nfs/dbraw/zinc/85/87/48/598858748.db2.gz JTBGHFSATHSGTH-LIRRHRJNSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895467 598858749 /nfs/dbraw/zinc/85/87/49/598858749.db2.gz JTBGHFSATHSGTH-LIRRHRJNSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1cc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000737226139 598859799 /nfs/dbraw/zinc/85/97/99/598859799.db2.gz QVQMDOLKGKTMEH-UHFFFAOYSA-N -1 3 394.410 3.766 20 0 GHADHM Cc1cc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000737226139 598859800 /nfs/dbraw/zinc/85/98/00/598859800.db2.gz QVQMDOLKGKTMEH-UHFFFAOYSA-N -1 3 394.410 3.766 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000737955988 598864814 /nfs/dbraw/zinc/86/48/14/598864814.db2.gz RFVMNGIXRBEDRX-OALUTQOASA-N -1 3 380.423 3.818 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000737955988 598864817 /nfs/dbraw/zinc/86/48/17/598864817.db2.gz RFVMNGIXRBEDRX-OALUTQOASA-N -1 3 380.423 3.818 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895453 598878388 /nfs/dbraw/zinc/87/83/88/598878388.db2.gz JOVCRWKSZUTVCB-XOBRGWDASA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895453 598878389 /nfs/dbraw/zinc/87/83/89/598878389.db2.gz JOVCRWKSZUTVCB-XOBRGWDASA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895441 598880949 /nfs/dbraw/zinc/88/09/49/598880949.db2.gz JHWILQJYRYULIM-LIRRHRJNSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895441 598880950 /nfs/dbraw/zinc/88/09/50/598880950.db2.gz JHWILQJYRYULIM-LIRRHRJNSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(SC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898732 598885009 /nfs/dbraw/zinc/88/50/09/598885009.db2.gz RSAHHZLSSLEREY-AWEZNQCLSA-N -1 3 391.403 3.508 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(SC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898732 598885011 /nfs/dbraw/zinc/88/50/11/598885011.db2.gz RSAHHZLSSLEREY-AWEZNQCLSA-N -1 3 391.403 3.508 20 0 GHADHM Clc1ncccc1CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737582467 598887631 /nfs/dbraw/zinc/88/76/31/598887631.db2.gz AQQFTBTXPMGBRS-UHFFFAOYSA-N -1 3 382.880 3.933 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2nccc3ccccc32)no1 ZINC000736188085 598890055 /nfs/dbraw/zinc/89/00/55/598890055.db2.gz LBVUUQUMGHAXSN-LBPRGKRZSA-N -1 3 385.387 3.605 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2nccc3ccccc32)no1 ZINC000736188085 598890056 /nfs/dbraw/zinc/89/00/56/598890056.db2.gz LBVUUQUMGHAXSN-LBPRGKRZSA-N -1 3 385.387 3.605 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736344569 598901660 /nfs/dbraw/zinc/90/16/60/598901660.db2.gz BEPXNAXRGWZPIF-CYBMUJFWSA-N -1 3 396.520 3.714 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736344569 598901663 /nfs/dbraw/zinc/90/16/63/598901663.db2.gz BEPXNAXRGWZPIF-CYBMUJFWSA-N -1 3 396.520 3.714 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c2)n1 ZINC000737447529 598904229 /nfs/dbraw/zinc/90/42/29/598904229.db2.gz DRQSGTFWBONCJD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c2)n1 ZINC000737447529 598904231 /nfs/dbraw/zinc/90/42/31/598904231.db2.gz DRQSGTFWBONCJD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000736633443 598904373 /nfs/dbraw/zinc/90/43/73/598904373.db2.gz AYDWFVQTFDAWNS-UHFFFAOYSA-N -1 3 398.854 3.509 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000736633443 598904374 /nfs/dbraw/zinc/90/43/74/598904374.db2.gz AYDWFVQTFDAWNS-UHFFFAOYSA-N -1 3 398.854 3.509 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737023147 598911641 /nfs/dbraw/zinc/91/16/41/598911641.db2.gz CGONNXKZRYWBCS-DLBZAZTESA-N -1 3 378.432 3.708 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737023147 598911643 /nfs/dbraw/zinc/91/16/43/598911643.db2.gz CGONNXKZRYWBCS-DLBZAZTESA-N -1 3 378.432 3.708 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccccc2)no1 ZINC000735905544 598914900 /nfs/dbraw/zinc/91/49/00/598914900.db2.gz KMVUNSMSUDNEGU-UHFFFAOYSA-N -1 3 376.420 3.921 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000736638259 598923191 /nfs/dbraw/zinc/92/31/91/598923191.db2.gz ZCYJIEWFNZDKDB-HXUWFJFHSA-N -1 3 382.468 3.620 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000736638259 598923192 /nfs/dbraw/zinc/92/31/92/598923192.db2.gz ZCYJIEWFNZDKDB-HXUWFJFHSA-N -1 3 382.468 3.620 20 0 GHADHM O=C(NCC1CCCCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738044948 598926928 /nfs/dbraw/zinc/92/69/28/598926928.db2.gz NNHDUFLNSKCLQM-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM O=C(NCC1CCCCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738044948 598926930 /nfs/dbraw/zinc/92/69/30/598926930.db2.gz NNHDUFLNSKCLQM-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1cc(C)c2ccccc2n1 ZINC000737033261 598938768 /nfs/dbraw/zinc/93/87/68/598938768.db2.gz UQKXFDSYMQSCEV-UHFFFAOYSA-N -1 3 393.472 3.903 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1cc(C)c2ccccc2n1 ZINC000737033261 598938769 /nfs/dbraw/zinc/93/87/69/598938769.db2.gz UQKXFDSYMQSCEV-UHFFFAOYSA-N -1 3 393.472 3.903 20 0 GHADHM O=C(C1CC=CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737786543 598941950 /nfs/dbraw/zinc/94/19/50/598941950.db2.gz UKZVHXKEYMHEDO-UHFFFAOYSA-N -1 3 377.423 3.501 20 0 GHADHM O=C(C1CC=CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737786543 598941952 /nfs/dbraw/zinc/94/19/52/598941952.db2.gz UKZVHXKEYMHEDO-UHFFFAOYSA-N -1 3 377.423 3.501 20 0 GHADHM Cc1c(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)oc2ccccc12 ZINC000737215234 598974736 /nfs/dbraw/zinc/97/47/36/598974736.db2.gz FOJXHZOPWNYODU-UHFFFAOYSA-N -1 3 394.456 3.898 20 0 GHADHM Cc1c(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)oc2ccccc12 ZINC000737215234 598974738 /nfs/dbraw/zinc/97/47/38/598974738.db2.gz FOJXHZOPWNYODU-UHFFFAOYSA-N -1 3 394.456 3.898 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)(C)C ZINC000736100318 598987179 /nfs/dbraw/zinc/98/71/79/598987179.db2.gz YGNZZFMZNVYRMD-HNNXBMFYSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)(C)C ZINC000736100318 598987180 /nfs/dbraw/zinc/98/71/80/598987180.db2.gz YGNZZFMZNVYRMD-HNNXBMFYSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000736228517 599020931 /nfs/dbraw/zinc/02/09/31/599020931.db2.gz OAQRJGNNIQXMRE-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000736228517 599020932 /nfs/dbraw/zinc/02/09/32/599020932.db2.gz OAQRJGNNIQXMRE-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000737293329 599021315 /nfs/dbraw/zinc/02/13/15/599021315.db2.gz BSWBYUPXOXGCGO-XHDPSFHLSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000737293329 599021317 /nfs/dbraw/zinc/02/13/17/599021317.db2.gz BSWBYUPXOXGCGO-XHDPSFHLSA-N -1 3 386.818 3.645 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736557898 599048931 /nfs/dbraw/zinc/04/89/31/599048931.db2.gz DDTVIVFCJBUTIL-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736557898 599048933 /nfs/dbraw/zinc/04/89/33/599048933.db2.gz DDTVIVFCJBUTIL-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000736189820 599062538 /nfs/dbraw/zinc/06/25/38/599062538.db2.gz CNYYJZUOSZGGFI-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000736189820 599062541 /nfs/dbraw/zinc/06/25/41/599062541.db2.gz CNYYJZUOSZGGFI-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817506 599069635 /nfs/dbraw/zinc/06/96/35/599069635.db2.gz AVJCCZPFAUHQSV-DLBZAZTESA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817506 599069638 /nfs/dbraw/zinc/06/96/38/599069638.db2.gz AVJCCZPFAUHQSV-DLBZAZTESA-N -1 3 397.429 3.938 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCCCC1 ZINC000736119989 599079205 /nfs/dbraw/zinc/07/92/05/599079205.db2.gz UILHADUZJDUYQZ-AWEZNQCLSA-N -1 3 395.463 3.737 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CCCCC1 ZINC000736119989 599079209 /nfs/dbraw/zinc/07/92/09/599079209.db2.gz UILHADUZJDUYQZ-AWEZNQCLSA-N -1 3 395.463 3.737 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000735593901 599079396 /nfs/dbraw/zinc/07/93/96/599079396.db2.gz NUNPFZXHBMJYRE-MRXNPFEDSA-N -1 3 384.871 3.822 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000735593901 599079399 /nfs/dbraw/zinc/07/93/99/599079399.db2.gz NUNPFZXHBMJYRE-MRXNPFEDSA-N -1 3 384.871 3.822 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736266106 599082475 /nfs/dbraw/zinc/08/24/75/599082475.db2.gz MVCHMOZMJRLRFC-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](COCc1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820286413 599080446 /nfs/dbraw/zinc/08/04/46/599080446.db2.gz AYSADVIRWVZSCU-LBPRGKRZSA-N -1 3 396.401 3.710 20 0 GHADHM C[C@@H](COCc1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820286413 599080449 /nfs/dbraw/zinc/08/04/49/599080449.db2.gz AYSADVIRWVZSCU-LBPRGKRZSA-N -1 3 396.401 3.710 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736427226 599083991 /nfs/dbraw/zinc/08/39/91/599083991.db2.gz VQEQJWGCQZESFC-VQIMIIECSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736425593 599084507 /nfs/dbraw/zinc/08/45/07/599084507.db2.gz JIKBDZUACZSSDD-GOSISDBHSA-N -1 3 395.532 3.877 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736425593 599084509 /nfs/dbraw/zinc/08/45/09/599084509.db2.gz JIKBDZUACZSSDD-GOSISDBHSA-N -1 3 395.532 3.877 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736427220 599084647 /nfs/dbraw/zinc/08/46/47/599084647.db2.gz VQEQJWGCQZESFC-QFBILLFUSA-N -1 3 393.491 3.552 20 0 GHADHM C[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000736112690 599109048 /nfs/dbraw/zinc/10/90/48/599109048.db2.gz SYIMZMJGCNYQGT-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000736112690 599109050 /nfs/dbraw/zinc/10/90/50/599109050.db2.gz SYIMZMJGCNYQGT-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM COc1ccccc1[C@H](C)SCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821882580 599128299 /nfs/dbraw/zinc/12/82/99/599128299.db2.gz FDZNGYUXNCGRJQ-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccccc1[C@H](C)SCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821882580 599128301 /nfs/dbraw/zinc/12/83/01/599128301.db2.gz FDZNGYUXNCGRJQ-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM CC(C)[C@@H](C)SCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820020613 599129024 /nfs/dbraw/zinc/12/90/24/599129024.db2.gz IJRLABFVMIFARJ-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)[C@@H](C)SCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820020613 599129026 /nfs/dbraw/zinc/12/90/26/599129026.db2.gz IJRLABFVMIFARJ-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM C[C@H](Sc1nnc(CCc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820554846 599132794 /nfs/dbraw/zinc/13/27/94/599132794.db2.gz AHUIWGYHTVNGNO-ZDUSSCGKSA-N -1 3 378.461 3.888 20 0 GHADHM C[C@H](Sc1nnc(CCc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820554846 599132796 /nfs/dbraw/zinc/13/27/96/599132796.db2.gz AHUIWGYHTVNGNO-ZDUSSCGKSA-N -1 3 378.461 3.888 20 0 GHADHM c1ccc(Oc2cccc(NCCCOc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000823791814 599133837 /nfs/dbraw/zinc/13/38/37/599133837.db2.gz IXSRPNKCFXJIAF-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736236372 599145575 /nfs/dbraw/zinc/14/55/75/599145575.db2.gz RUFVNIROKSNUKU-OCCSQVGLSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736236372 599145577 /nfs/dbraw/zinc/14/55/77/599145577.db2.gz RUFVNIROKSNUKU-OCCSQVGLSA-N -1 3 382.855 3.930 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821573298 599147228 /nfs/dbraw/zinc/14/72/28/599147228.db2.gz JTQPCHVQIRSPCC-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821573298 599147231 /nfs/dbraw/zinc/14/72/31/599147231.db2.gz JTQPCHVQIRSPCC-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1-c1nnn[n-]1 ZINC000737084756 599154316 /nfs/dbraw/zinc/15/43/16/599154316.db2.gz VIJZPUOEBLLJFK-NTEUORMPSA-N -1 3 394.822 3.569 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1-c1nn[n-]n1 ZINC000737084756 599154319 /nfs/dbraw/zinc/15/43/19/599154319.db2.gz VIJZPUOEBLLJFK-NTEUORMPSA-N -1 3 394.822 3.569 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000737559915 599158944 /nfs/dbraw/zinc/15/89/44/599158944.db2.gz DGGXRSBVDNHSCG-NXEZZACHSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000737559915 599158946 /nfs/dbraw/zinc/15/89/46/599158946.db2.gz DGGXRSBVDNHSCG-NXEZZACHSA-N -1 3 375.404 3.565 20 0 GHADHM FC(F)(F)c1cccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737635941 599160152 /nfs/dbraw/zinc/16/01/52/599160152.db2.gz RAMXBOAEAGBSOC-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM FC(F)(F)c1cccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737635941 599160154 /nfs/dbraw/zinc/16/01/54/599160154.db2.gz RAMXBOAEAGBSOC-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502114 599160304 /nfs/dbraw/zinc/16/03/04/599160304.db2.gz KCCMRJUSZNPORA-VBNZEHGJSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502114 599160307 /nfs/dbraw/zinc/16/03/07/599160307.db2.gz KCCMRJUSZNPORA-VBNZEHGJSA-N -1 3 397.429 3.858 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000823235375 599165538 /nfs/dbraw/zinc/16/55/38/599165538.db2.gz SPQBRRCNCHNPGC-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000823235375 599165539 /nfs/dbraw/zinc/16/55/39/599165539.db2.gz SPQBRRCNCHNPGC-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1ccccc1Cl ZINC000738297423 599171837 /nfs/dbraw/zinc/17/18/37/599171837.db2.gz SDLYARDTJGTQGV-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccccc1Cl ZINC000738297423 599171839 /nfs/dbraw/zinc/17/18/39/599171839.db2.gz SDLYARDTJGTQGV-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735642504 599180186 /nfs/dbraw/zinc/18/01/86/599180186.db2.gz BUKVMMXULDVBLZ-NDEPHWFRSA-N -1 3 398.492 3.558 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735642504 599180188 /nfs/dbraw/zinc/18/01/88/599180188.db2.gz BUKVMMXULDVBLZ-NDEPHWFRSA-N -1 3 398.492 3.558 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737808666 599181135 /nfs/dbraw/zinc/18/11/35/599181135.db2.gz PVLZBWIIINHIIY-JOCHJYFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737808666 599181138 /nfs/dbraw/zinc/18/11/38/599181138.db2.gz PVLZBWIIINHIIY-JOCHJYFZSA-N -1 3 397.482 3.900 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095255 599182056 /nfs/dbraw/zinc/18/20/56/599182056.db2.gz DCMHKAXUQOGTDY-RYUDHWBXSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095255 599182058 /nfs/dbraw/zinc/18/20/58/599182058.db2.gz DCMHKAXUQOGTDY-RYUDHWBXSA-N -1 3 389.381 3.866 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821948997 599185706 /nfs/dbraw/zinc/18/57/06/599185706.db2.gz FCUAUJNIPPYUJZ-QZTJIDSGSA-N -1 3 394.504 3.624 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823478607 599191988 /nfs/dbraw/zinc/19/19/88/599191988.db2.gz NABQKNXJZMRIGQ-NRFANRHFSA-N -1 3 381.439 3.807 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823478607 599191990 /nfs/dbraw/zinc/19/19/90/599191990.db2.gz NABQKNXJZMRIGQ-NRFANRHFSA-N -1 3 381.439 3.807 20 0 GHADHM COCCN(C(=O)C[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988805 599205726 /nfs/dbraw/zinc/20/57/26/599205726.db2.gz ORQZBBBDDDCYTB-HXUWFJFHSA-N -1 3 393.491 3.676 20 0 GHADHM COCCN(C(=O)C[C@@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988805 599205728 /nfs/dbraw/zinc/20/57/28/599205728.db2.gz ORQZBBBDDDCYTB-HXUWFJFHSA-N -1 3 393.491 3.676 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299320 599202735 /nfs/dbraw/zinc/20/27/35/599202735.db2.gz FJGHTERRINAQNK-HXUWFJFHSA-N -1 3 390.491 3.649 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820020625 599210865 /nfs/dbraw/zinc/21/08/65/599210865.db2.gz IRCOGPLGTMWMCX-FQEVSTJZSA-N -1 3 395.482 3.664 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820020625 599210868 /nfs/dbraw/zinc/21/08/68/599210868.db2.gz IRCOGPLGTMWMCX-FQEVSTJZSA-N -1 3 395.482 3.664 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccncc1F ZINC000823357404 599222799 /nfs/dbraw/zinc/22/27/99/599222799.db2.gz UMBWEVPWIOMLPR-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccncc1F ZINC000823357404 599222800 /nfs/dbraw/zinc/22/28/00/599222800.db2.gz UMBWEVPWIOMLPR-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC2(C1)CCCCC2 ZINC000737832320 599223699 /nfs/dbraw/zinc/22/36/99/599223699.db2.gz JLJFHPAMBWJKMN-UHFFFAOYSA-N -1 3 383.496 3.599 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC2(C1)CCCCC2 ZINC000737832320 599223701 /nfs/dbraw/zinc/22/37/01/599223701.db2.gz JLJFHPAMBWJKMN-UHFFFAOYSA-N -1 3 383.496 3.599 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820021831 599230493 /nfs/dbraw/zinc/23/04/93/599230493.db2.gz ZFKIRLDCLWJBNC-GOSISDBHSA-N -1 3 398.511 3.902 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820021831 599230496 /nfs/dbraw/zinc/23/04/96/599230496.db2.gz ZFKIRLDCLWJBNC-GOSISDBHSA-N -1 3 398.511 3.902 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737796507 599234697 /nfs/dbraw/zinc/23/46/97/599234697.db2.gz BXKLPZXIHXMIKS-FMIVXFBMSA-N -1 3 393.422 3.979 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737796507 599234699 /nfs/dbraw/zinc/23/46/99/599234699.db2.gz BXKLPZXIHXMIKS-FMIVXFBMSA-N -1 3 393.422 3.979 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(Cl)ccc1Cl ZINC000823238956 599236670 /nfs/dbraw/zinc/23/66/70/599236670.db2.gz UWHLROKSQDCGKH-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(Cl)ccc1Cl ZINC000823238956 599236672 /nfs/dbraw/zinc/23/66/72/599236672.db2.gz UWHLROKSQDCGKH-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821849321 607271324 /nfs/dbraw/zinc/27/13/24/607271324.db2.gz DCUXGJRZMWZYSY-HNNXBMFYSA-N -1 3 377.448 3.632 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821849321 607271325 /nfs/dbraw/zinc/27/13/25/607271325.db2.gz DCUXGJRZMWZYSY-HNNXBMFYSA-N -1 3 377.448 3.632 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233514 599246127 /nfs/dbraw/zinc/24/61/27/599246127.db2.gz QLXPMRNBXZFXTJ-MOPGFXCFSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233514 599246130 /nfs/dbraw/zinc/24/61/30/599246130.db2.gz QLXPMRNBXZFXTJ-MOPGFXCFSA-N -1 3 376.464 3.975 20 0 GHADHM CC(C)C1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000735748533 599247041 /nfs/dbraw/zinc/24/70/41/599247041.db2.gz KGAGYGVCVKMGJW-UHFFFAOYSA-N -1 3 392.463 3.562 20 0 GHADHM CC(C)C1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000735748533 599247044 /nfs/dbraw/zinc/24/70/44/599247044.db2.gz KGAGYGVCVKMGJW-UHFFFAOYSA-N -1 3 392.463 3.562 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737933053 599252275 /nfs/dbraw/zinc/25/22/75/599252275.db2.gz SEAQDCFBRYIEPM-QGZVFWFLSA-N -1 3 399.907 3.727 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737933053 599252277 /nfs/dbraw/zinc/25/22/77/599252277.db2.gz SEAQDCFBRYIEPM-QGZVFWFLSA-N -1 3 399.907 3.727 20 0 GHADHM Cc1c(NC(=O)N2CCC(OC3CCCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822083591 607288984 /nfs/dbraw/zinc/28/89/84/607288984.db2.gz DBBKQJVXYXMDFW-UHFFFAOYSA-N -1 3 384.484 3.521 20 0 GHADHM Cc1c(NC(=O)N2CCC(OC3CCCCC3)CC2)cccc1-c1nn[n-]n1 ZINC000822083591 607288985 /nfs/dbraw/zinc/28/89/85/607288985.db2.gz DBBKQJVXYXMDFW-UHFFFAOYSA-N -1 3 384.484 3.521 20 0 GHADHM CCCCOc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000821077824 599257611 /nfs/dbraw/zinc/25/76/11/599257611.db2.gz VQHITTKWTZMLRW-UHFFFAOYSA-N -1 3 398.442 3.815 20 0 GHADHM CCCCOc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000821077824 599257614 /nfs/dbraw/zinc/25/76/14/599257614.db2.gz VQHITTKWTZMLRW-UHFFFAOYSA-N -1 3 398.442 3.815 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000737387746 599262469 /nfs/dbraw/zinc/26/24/69/599262469.db2.gz AQNQCYOLQSIYKC-LJQANCHMSA-N -1 3 391.475 3.698 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000737387746 599262470 /nfs/dbraw/zinc/26/24/70/599262470.db2.gz AQNQCYOLQSIYKC-LJQANCHMSA-N -1 3 391.475 3.698 20 0 GHADHM COc1cc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCC2)ccc1C ZINC000821712750 607293911 /nfs/dbraw/zinc/29/39/11/607293911.db2.gz LWXKZDOSWUPWRA-UHFFFAOYSA-N -1 3 377.448 3.553 20 0 GHADHM COc1cc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCC2)ccc1C ZINC000821712750 607293912 /nfs/dbraw/zinc/29/39/12/607293912.db2.gz LWXKZDOSWUPWRA-UHFFFAOYSA-N -1 3 377.448 3.553 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380783 599259165 /nfs/dbraw/zinc/25/91/65/599259165.db2.gz ZXAIYMCTNRNPJN-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380783 599259167 /nfs/dbraw/zinc/25/91/67/599259167.db2.gz ZXAIYMCTNRNPJN-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821504172 599260062 /nfs/dbraw/zinc/26/00/62/599260062.db2.gz CPQATYUJCVHJOC-DGCLKSJQSA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821504172 599260064 /nfs/dbraw/zinc/26/00/64/599260064.db2.gz CPQATYUJCVHJOC-DGCLKSJQSA-N -1 3 399.524 3.658 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819907015 607298799 /nfs/dbraw/zinc/29/87/99/607298799.db2.gz KQDDUMYPHYKBFX-OAHLLOKOSA-N -1 3 384.871 3.822 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819907015 607298800 /nfs/dbraw/zinc/29/88/00/607298800.db2.gz KQDDUMYPHYKBFX-OAHLLOKOSA-N -1 3 384.871 3.822 20 0 GHADHM CC(C)CCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820081609 599266463 /nfs/dbraw/zinc/26/64/63/599266463.db2.gz MXXNKYZNIJADKZ-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1OCc1cccnc1 ZINC000821835696 607309016 /nfs/dbraw/zinc/30/90/16/607309016.db2.gz PQZBGOFJTRAQTN-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(CNc2cccc(C3SCCS3)c2)cc1-c1nnn[n-]1 ZINC000821821136 607310533 /nfs/dbraw/zinc/31/05/33/607310533.db2.gz AAYGQNDBDDCQHV-UHFFFAOYSA-N -1 3 385.518 3.966 20 0 GHADHM COc1ccc(CNc2cccc(C3SCCS3)c2)cc1-c1nn[n-]n1 ZINC000821821136 607310534 /nfs/dbraw/zinc/31/05/34/607310534.db2.gz AAYGQNDBDDCQHV-UHFFFAOYSA-N -1 3 385.518 3.966 20 0 GHADHM CC(C)CCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820081609 599266461 /nfs/dbraw/zinc/26/64/61/599266461.db2.gz MXXNKYZNIJADKZ-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819951566 607316821 /nfs/dbraw/zinc/31/68/21/607316821.db2.gz SWEAYZGWWKSXKG-RUZDIDTESA-N -1 3 375.523 3.588 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819951566 607316822 /nfs/dbraw/zinc/31/68/22/607316822.db2.gz SWEAYZGWWKSXKG-RUZDIDTESA-N -1 3 375.523 3.588 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821614574 607316927 /nfs/dbraw/zinc/31/69/27/607316927.db2.gz LKZGJFFEEDWELM-UHFFFAOYSA-N -1 3 397.533 3.629 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821614574 607316928 /nfs/dbraw/zinc/31/69/28/607316928.db2.gz LKZGJFFEEDWELM-UHFFFAOYSA-N -1 3 397.533 3.629 20 0 GHADHM Cc1csc(C2(NC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCCC2)n1 ZINC000822408317 599270845 /nfs/dbraw/zinc/27/08/45/599270845.db2.gz ANPNAZZOOJOIIN-UHFFFAOYSA-N -1 3 383.481 3.531 20 0 GHADHM Cc1csc(C2(NC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCCC2)n1 ZINC000822408317 599270848 /nfs/dbraw/zinc/27/08/48/599270848.db2.gz ANPNAZZOOJOIIN-UHFFFAOYSA-N -1 3 383.481 3.531 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC000736487943 599275564 /nfs/dbraw/zinc/27/55/64/599275564.db2.gz KSMWXTNSSMKHOS-UHFFFAOYSA-N -1 3 387.447 3.732 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000821763220 599275573 /nfs/dbraw/zinc/27/55/73/599275573.db2.gz WDIVNBZVQPASRQ-PXAZEXFGSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000821763220 599275575 /nfs/dbraw/zinc/27/55/75/599275575.db2.gz WDIVNBZVQPASRQ-PXAZEXFGSA-N -1 3 396.426 3.629 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380683 599283874 /nfs/dbraw/zinc/28/38/74/599283874.db2.gz YMKFMEYSNMERIF-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380683 599283877 /nfs/dbraw/zinc/28/38/77/599283877.db2.gz YMKFMEYSNMERIF-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM Cc1cccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822303869 599287079 /nfs/dbraw/zinc/28/70/79/599287079.db2.gz MYGUZAGLPXEFSO-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1cccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822303869 599287081 /nfs/dbraw/zinc/28/70/81/599287081.db2.gz MYGUZAGLPXEFSO-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193500 599287628 /nfs/dbraw/zinc/28/76/28/599287628.db2.gz RZKWWUTYJHZYTN-LLVKDONJSA-N -1 3 381.440 3.655 20 0 GHADHM C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193500 599287631 /nfs/dbraw/zinc/28/76/31/599287631.db2.gz RZKWWUTYJHZYTN-LLVKDONJSA-N -1 3 381.440 3.655 20 0 GHADHM Cc1cccc(-c2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2C)c1 ZINC000737380047 599288220 /nfs/dbraw/zinc/28/82/20/599288220.db2.gz LHERTNLRTXOZOV-ZDUSSCGKSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1cccc(-c2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2C)c1 ZINC000737380047 599288222 /nfs/dbraw/zinc/28/82/22/599288222.db2.gz LHERTNLRTXOZOV-ZDUSSCGKSA-N -1 3 377.477 3.824 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OC2CCC2)c1-c1nnn[n-]1 ZINC000736675726 599292346 /nfs/dbraw/zinc/29/23/46/599292346.db2.gz LBJZTYMJVWWMJK-UHFFFAOYSA-N -1 3 383.477 3.983 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OC2CCC2)c1-c1nn[n-]n1 ZINC000736675726 599292348 /nfs/dbraw/zinc/29/23/48/599292348.db2.gz LBJZTYMJVWWMJK-UHFFFAOYSA-N -1 3 383.477 3.983 20 0 GHADHM O=C(Cc1ccsc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737975949 598230976 /nfs/dbraw/zinc/23/09/76/598230976.db2.gz WWCQIGVALWGBAI-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM O=C(Cc1ccsc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737975949 598230978 /nfs/dbraw/zinc/23/09/78/598230978.db2.gz WWCQIGVALWGBAI-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737944178 598232873 /nfs/dbraw/zinc/23/28/73/598232873.db2.gz WLJBHSIFTLKHBE-IBGZPJMESA-N -1 3 397.479 3.756 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737944178 598232875 /nfs/dbraw/zinc/23/28/75/598232875.db2.gz WLJBHSIFTLKHBE-IBGZPJMESA-N -1 3 397.479 3.756 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737798472 598235631 /nfs/dbraw/zinc/23/56/31/598235631.db2.gz LCXRXWXQJYCWKV-SOFGYWHQSA-N -1 3 395.413 3.564 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737798472 598235632 /nfs/dbraw/zinc/23/56/32/598235632.db2.gz LCXRXWXQJYCWKV-SOFGYWHQSA-N -1 3 395.413 3.564 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000737247078 598246954 /nfs/dbraw/zinc/24/69/54/598246954.db2.gz YXYYNCBCRLZQEA-UHFFFAOYSA-N -1 3 389.463 3.603 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000737247078 598246955 /nfs/dbraw/zinc/24/69/55/598246955.db2.gz YXYYNCBCRLZQEA-UHFFFAOYSA-N -1 3 389.463 3.603 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000822729256 607346702 /nfs/dbraw/zinc/34/67/02/607346702.db2.gz YKJHFYAFWFGESR-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000822729256 607346703 /nfs/dbraw/zinc/34/67/03/607346703.db2.gz YKJHFYAFWFGESR-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(N[C@@H](C)c2nc(C)no2)cc1 ZINC000737033536 598273492 /nfs/dbraw/zinc/27/34/92/598273492.db2.gz ZKIKWZYRQXXHEV-NSHDSACASA-N -1 3 393.407 3.532 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(N[C@@H](C)c2nc(C)no2)cc1 ZINC000737033536 598273494 /nfs/dbraw/zinc/27/34/94/598273494.db2.gz ZKIKWZYRQXXHEV-NSHDSACASA-N -1 3 393.407 3.532 20 0 GHADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1OC ZINC000737095614 598274445 /nfs/dbraw/zinc/27/44/45/598274445.db2.gz KRUGUMJINYXERR-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1OC ZINC000737095614 598274447 /nfs/dbraw/zinc/27/44/47/598274447.db2.gz KRUGUMJINYXERR-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000738381612 598275668 /nfs/dbraw/zinc/27/56/68/598275668.db2.gz IOBCRADKYRDWMV-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000738381612 598275669 /nfs/dbraw/zinc/27/56/69/598275669.db2.gz IOBCRADKYRDWMV-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cnc(C4CC4)s3)c2-c2nnn[n-]2)C1 ZINC000736277611 598277811 /nfs/dbraw/zinc/27/78/11/598277811.db2.gz AMLMSOYRSZHSCY-QMMMGPOBSA-N -1 3 386.506 3.639 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cnc(C4CC4)s3)c2-c2nn[n-]n2)C1 ZINC000736277611 598277812 /nfs/dbraw/zinc/27/78/12/598277812.db2.gz AMLMSOYRSZHSCY-QMMMGPOBSA-N -1 3 386.506 3.639 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737974778 598278515 /nfs/dbraw/zinc/27/85/15/598278515.db2.gz SIOVAJNDIJNVCW-UHFFFAOYSA-N -1 3 393.394 3.617 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737974778 598278516 /nfs/dbraw/zinc/27/85/16/598278516.db2.gz SIOVAJNDIJNVCW-UHFFFAOYSA-N -1 3 393.394 3.617 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735874019 598279251 /nfs/dbraw/zinc/27/92/51/598279251.db2.gz LDZIRWVUSOYZPG-UHFFFAOYSA-N -1 3 381.484 3.866 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735874019 598279252 /nfs/dbraw/zinc/27/92/52/598279252.db2.gz LDZIRWVUSOYZPG-UHFFFAOYSA-N -1 3 381.484 3.866 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736315675 598284051 /nfs/dbraw/zinc/28/40/51/598284051.db2.gz TUEGKHBKPLRMMQ-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315675 598284053 /nfs/dbraw/zinc/28/40/53/598284053.db2.gz TUEGKHBKPLRMMQ-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1ccccc1-c1nnn[n-]1 ZINC000737854637 598290000 /nfs/dbraw/zinc/29/00/00/598290000.db2.gz TXRZKFSRGICXBF-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1ccccc1-c1nn[n-]n1 ZINC000737854637 598290001 /nfs/dbraw/zinc/29/00/01/598290001.db2.gz TXRZKFSRGICXBF-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737449386 598293087 /nfs/dbraw/zinc/29/30/87/598293087.db2.gz XFTLEKFEUZTEET-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737449386 598293088 /nfs/dbraw/zinc/29/30/88/598293088.db2.gz XFTLEKFEUZTEET-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737463960 598295984 /nfs/dbraw/zinc/29/59/84/598295984.db2.gz BCLIQPMWNVTQEV-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737463960 598295986 /nfs/dbraw/zinc/29/59/86/598295986.db2.gz BCLIQPMWNVTQEV-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCCCCC1 ZINC000738173386 598296738 /nfs/dbraw/zinc/29/67/38/598296738.db2.gz PRDUTFNZDASACD-UHFFFAOYSA-N -1 3 378.436 3.963 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1(C(F)(F)F)CC1 ZINC000738173491 598296872 /nfs/dbraw/zinc/29/68/72/598296872.db2.gz RPDRWESXTIIWON-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1(C(F)(F)F)CC1 ZINC000738173491 598296874 /nfs/dbraw/zinc/29/68/74/598296874.db2.gz RPDRWESXTIIWON-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000735547679 598298240 /nfs/dbraw/zinc/29/82/40/598298240.db2.gz QIDPHKDSSNCKRX-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000735547679 598298242 /nfs/dbraw/zinc/29/82/42/598298242.db2.gz QIDPHKDSSNCKRX-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738179272 598300914 /nfs/dbraw/zinc/30/09/14/598300914.db2.gz PKBOJRCPZQVEQM-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738179272 598300916 /nfs/dbraw/zinc/30/09/16/598300916.db2.gz PKBOJRCPZQVEQM-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1sccc1-c1ccccc1 ZINC000738102619 598309776 /nfs/dbraw/zinc/30/97/76/598309776.db2.gz SAOKIXAEZLNTPP-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1sccc1-c1ccccc1 ZINC000738102619 598309777 /nfs/dbraw/zinc/30/97/77/598309777.db2.gz SAOKIXAEZLNTPP-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737462958 598310738 /nfs/dbraw/zinc/31/07/38/598310738.db2.gz BOAKFUAWZXRNJF-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737462958 598310740 /nfs/dbraw/zinc/31/07/40/598310740.db2.gz BOAKFUAWZXRNJF-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM CCc1nc(CSCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000736704505 598313505 /nfs/dbraw/zinc/31/35/05/598313505.db2.gz PVTQEKDGURLPSB-UHFFFAOYSA-N -1 3 378.461 3.913 20 0 GHADHM CCc1nc(CSCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000736704505 598313507 /nfs/dbraw/zinc/31/35/07/598313507.db2.gz PVTQEKDGURLPSB-UHFFFAOYSA-N -1 3 378.461 3.913 20 0 GHADHM COc1ccccc1[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737141735 598316976 /nfs/dbraw/zinc/31/69/76/598316976.db2.gz KCEBWGIFYRFUIM-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccccc1[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737141735 598316977 /nfs/dbraw/zinc/31/69/77/598316977.db2.gz KCEBWGIFYRFUIM-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM CC(C)c1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924820 598317546 /nfs/dbraw/zinc/31/75/46/598317546.db2.gz VNEHUCROJZEZEV-ZDUSSCGKSA-N -1 3 382.443 3.690 20 0 GHADHM CC(C)c1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924820 598317548 /nfs/dbraw/zinc/31/75/48/598317548.db2.gz VNEHUCROJZEZEV-ZDUSSCGKSA-N -1 3 382.443 3.690 20 0 GHADHM Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737375760 598318004 /nfs/dbraw/zinc/31/80/04/598318004.db2.gz FODOIHDXUQJIRH-UHFFFAOYSA-N -1 3 384.896 3.978 20 0 GHADHM Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737375760 598318005 /nfs/dbraw/zinc/31/80/05/598318005.db2.gz FODOIHDXUQJIRH-UHFFFAOYSA-N -1 3 384.896 3.978 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cnc2ccccc2c1 ZINC000738406845 598319401 /nfs/dbraw/zinc/31/94/01/598319401.db2.gz DJYYKOAKHVZKOS-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cnc2ccccc2c1 ZINC000738406845 598319403 /nfs/dbraw/zinc/31/94/03/598319403.db2.gz DJYYKOAKHVZKOS-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM CCOc1cc(F)ccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736626339 598320003 /nfs/dbraw/zinc/32/00/03/598320003.db2.gz RQAGBLFMJVEJTN-UHFFFAOYSA-N -1 3 392.847 3.867 20 0 GHADHM CCOc1cc(F)ccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736626339 598320005 /nfs/dbraw/zinc/32/00/05/598320005.db2.gz RQAGBLFMJVEJTN-UHFFFAOYSA-N -1 3 392.847 3.867 20 0 GHADHM CC(C)N(Cc1ccccn1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735875570 598320397 /nfs/dbraw/zinc/32/03/97/598320397.db2.gz OSHLZOSQYLOUJT-UHFFFAOYSA-N -1 3 387.900 3.523 20 0 GHADHM CC(C)N(Cc1ccccn1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735875570 598320399 /nfs/dbraw/zinc/32/03/99/598320399.db2.gz OSHLZOSQYLOUJT-UHFFFAOYSA-N -1 3 387.900 3.523 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000736502859 598323679 /nfs/dbraw/zinc/32/36/79/598323679.db2.gz QDZJJNAGTXIIJI-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000736502859 598323681 /nfs/dbraw/zinc/32/36/81/598323681.db2.gz QDZJJNAGTXIIJI-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM CCC1(C)CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736397005 598331641 /nfs/dbraw/zinc/33/16/41/598331641.db2.gz QOCGZILDKPYIAX-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CCC1(C)CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736397005 598331643 /nfs/dbraw/zinc/33/16/43/598331643.db2.gz QOCGZILDKPYIAX-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CC(C)Oc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735915281 598355927 /nfs/dbraw/zinc/35/59/27/598355927.db2.gz ONYAZMZSJPJADX-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CC(C)Oc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735915281 598355929 /nfs/dbraw/zinc/35/59/29/598355929.db2.gz ONYAZMZSJPJADX-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736120377 598369250 /nfs/dbraw/zinc/36/92/50/598369250.db2.gz ZBTFOZBOBNMXCR-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736120377 598369251 /nfs/dbraw/zinc/36/92/51/598369251.db2.gz ZBTFOZBOBNMXCR-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1CCc2cc(Br)ccc21 ZINC000737557541 598392831 /nfs/dbraw/zinc/39/28/31/598392831.db2.gz FUYNIFJWQSDTNF-ZDUSSCGKSA-N -1 3 391.660 3.777 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1CCc2cc(Br)ccc21 ZINC000737557541 598392833 /nfs/dbraw/zinc/39/28/33/598392833.db2.gz FUYNIFJWQSDTNF-ZDUSSCGKSA-N -1 3 391.660 3.777 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)c(F)c2)cc1 ZINC000737057248 598394212 /nfs/dbraw/zinc/39/42/12/598394212.db2.gz PUIXXLWXDMTLSA-UHFFFAOYSA-N -1 3 390.374 3.901 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c(F)c2)cc1 ZINC000737057248 598394214 /nfs/dbraw/zinc/39/42/14/598394214.db2.gz PUIXXLWXDMTLSA-UHFFFAOYSA-N -1 3 390.374 3.901 20 0 GHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125288 598396147 /nfs/dbraw/zinc/39/61/47/598396147.db2.gz AIUFFVXIVLWKOR-PMACEKPBSA-N -1 3 391.475 3.668 20 0 GHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125288 598396148 /nfs/dbraw/zinc/39/61/48/598396148.db2.gz AIUFFVXIVLWKOR-PMACEKPBSA-N -1 3 391.475 3.668 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000736672132 598396526 /nfs/dbraw/zinc/39/65/26/598396526.db2.gz ZJQLRFSHOVPQML-CABCVRRESA-N -1 3 383.477 3.550 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000736672132 598396529 /nfs/dbraw/zinc/39/65/29/598396529.db2.gz ZJQLRFSHOVPQML-CABCVRRESA-N -1 3 383.477 3.550 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738235327 598412399 /nfs/dbraw/zinc/41/23/99/598412399.db2.gz QYJGAEZDFBIVMH-LJQANCHMSA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738235327 598412401 /nfs/dbraw/zinc/41/24/01/598412401.db2.gz QYJGAEZDFBIVMH-LJQANCHMSA-N -1 3 378.432 3.610 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccccc2C)CC1 ZINC000737064794 598413519 /nfs/dbraw/zinc/41/35/19/598413519.db2.gz ZOWMKTVLLXBQTC-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccccc2C)CC1 ZINC000737064794 598413521 /nfs/dbraw/zinc/41/35/21/598413521.db2.gz ZOWMKTVLLXBQTC-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cccnc2Cl)n1 ZINC000737246983 598414561 /nfs/dbraw/zinc/41/45/61/598414561.db2.gz WTJYTUOBEOCVMK-UHFFFAOYSA-N -1 3 386.790 3.930 20 0 GHADHM O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738214305 598417133 /nfs/dbraw/zinc/41/71/33/598417133.db2.gz KYZQGIKSOUUIMH-CYBMUJFWSA-N -1 3 382.729 3.981 20 0 GHADHM O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738214305 598417135 /nfs/dbraw/zinc/41/71/35/598417135.db2.gz KYZQGIKSOUUIMH-CYBMUJFWSA-N -1 3 382.729 3.981 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738208092 598420223 /nfs/dbraw/zinc/42/02/23/598420223.db2.gz KAAYYLBVINKNKX-GHMZBOCLSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738208092 598420225 /nfs/dbraw/zinc/42/02/25/598420225.db2.gz KAAYYLBVINKNKX-GHMZBOCLSA-N -1 3 380.260 3.977 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736170190 598422529 /nfs/dbraw/zinc/42/25/29/598422529.db2.gz OJWXEUHIEASQLW-STQMWFEESA-N -1 3 393.472 3.726 20 0 GHADHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735582956 598425703 /nfs/dbraw/zinc/42/57/03/598425703.db2.gz PRCRMTOIKBGMRS-UHFFFAOYSA-N -1 3 390.365 3.907 20 0 GHADHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735582956 598425705 /nfs/dbraw/zinc/42/57/05/598425705.db2.gz PRCRMTOIKBGMRS-UHFFFAOYSA-N -1 3 390.365 3.907 20 0 GHADHM CCOCc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000736624953 598428634 /nfs/dbraw/zinc/42/86/34/598428634.db2.gz GBZGZHPIVGZICA-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CCOCc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000736624953 598428636 /nfs/dbraw/zinc/42/86/36/598428636.db2.gz GBZGZHPIVGZICA-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000735874499 598429112 /nfs/dbraw/zinc/42/91/12/598429112.db2.gz IXSRSZNSBSPPEG-LJQANCHMSA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000735874499 598429114 /nfs/dbraw/zinc/42/91/14/598429114.db2.gz IXSRSZNSBSPPEG-LJQANCHMSA-N -1 3 394.454 3.613 20 0 GHADHM Cc1cc(C)c(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000737247224 598430296 /nfs/dbraw/zinc/43/02/96/598430296.db2.gz SSRRBDQTTHSIDH-UHFFFAOYSA-N -1 3 392.507 3.912 20 0 GHADHM Cc1cc(C)c(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000737247224 598430298 /nfs/dbraw/zinc/43/02/98/598430298.db2.gz SSRRBDQTTHSIDH-UHFFFAOYSA-N -1 3 392.507 3.912 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736452163 598432704 /nfs/dbraw/zinc/43/27/04/598432704.db2.gz AOSZKWHZKZVNNI-UHFFFAOYSA-N -1 3 393.495 3.767 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452163 598432706 /nfs/dbraw/zinc/43/27/06/598432706.db2.gz AOSZKWHZKZVNNI-UHFFFAOYSA-N -1 3 393.495 3.767 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737141238 598441619 /nfs/dbraw/zinc/44/16/19/598441619.db2.gz ILIWYAVJUPQQDM-QXMHVHEDSA-N -1 3 395.488 3.858 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737141238 598441621 /nfs/dbraw/zinc/44/16/21/598441621.db2.gz ILIWYAVJUPQQDM-QXMHVHEDSA-N -1 3 395.488 3.858 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000736815359 598443113 /nfs/dbraw/zinc/44/31/13/598443113.db2.gz YDFUPWAPLCLOOI-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000736815359 598443115 /nfs/dbraw/zinc/44/31/15/598443115.db2.gz YDFUPWAPLCLOOI-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737571240 598461696 /nfs/dbraw/zinc/46/16/96/598461696.db2.gz XUQHOEKSPLSNMT-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737571240 598461698 /nfs/dbraw/zinc/46/16/98/598461698.db2.gz XUQHOEKSPLSNMT-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738385748 598468096 /nfs/dbraw/zinc/46/80/96/598468096.db2.gz YAMNCAFGVQFQJD-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738385748 598468098 /nfs/dbraw/zinc/46/80/98/598468098.db2.gz YAMNCAFGVQFQJD-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1Cl ZINC000736109860 598477756 /nfs/dbraw/zinc/47/77/56/598477756.db2.gz AWOUBRWVGLVVAX-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1Cl ZINC000736109860 598477758 /nfs/dbraw/zinc/47/77/58/598477758.db2.gz AWOUBRWVGLVVAX-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)s1 ZINC000737245352 598478064 /nfs/dbraw/zinc/47/80/64/598478064.db2.gz NMIRSOKAVIZMDP-ZDUSSCGKSA-N -1 3 396.520 3.980 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)s1 ZINC000737245352 598478066 /nfs/dbraw/zinc/47/80/66/598478066.db2.gz NMIRSOKAVIZMDP-ZDUSSCGKSA-N -1 3 396.520 3.980 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000737320304 598480251 /nfs/dbraw/zinc/48/02/51/598480251.db2.gz KRWSFPAIOSKMQJ-CYBMUJFWSA-N -1 3 382.493 3.672 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000737320304 598480253 /nfs/dbraw/zinc/48/02/53/598480253.db2.gz KRWSFPAIOSKMQJ-CYBMUJFWSA-N -1 3 382.493 3.672 20 0 GHADHM C[C@H]1CCc2c(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)csc2C1 ZINC000736279703 598490079 /nfs/dbraw/zinc/49/00/79/598490079.db2.gz LPFCGCXMERSKAB-NSHDSACASA-N -1 3 384.509 3.862 20 0 GHADHM C[C@H]1CCc2c(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)csc2C1 ZINC000736279703 598490081 /nfs/dbraw/zinc/49/00/81/598490081.db2.gz LPFCGCXMERSKAB-NSHDSACASA-N -1 3 384.509 3.862 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737488618 598491258 /nfs/dbraw/zinc/49/12/58/598491258.db2.gz SQAFNUCDZLWRPO-LBPRGKRZSA-N -1 3 377.379 3.780 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737488618 598491260 /nfs/dbraw/zinc/49/12/60/598491260.db2.gz SQAFNUCDZLWRPO-LBPRGKRZSA-N -1 3 377.379 3.780 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000108710290 598494105 /nfs/dbraw/zinc/49/41/05/598494105.db2.gz UMGZACQZZWJLMH-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000108710290 598494107 /nfs/dbraw/zinc/49/41/07/598494107.db2.gz UMGZACQZZWJLMH-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737795892 598495404 /nfs/dbraw/zinc/49/54/04/598495404.db2.gz CHXHKKSVJDPAHQ-HJWRWDBZSA-N -1 3 381.461 3.902 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737795892 598495406 /nfs/dbraw/zinc/49/54/06/598495406.db2.gz CHXHKKSVJDPAHQ-HJWRWDBZSA-N -1 3 381.461 3.902 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000738288274 598497386 /nfs/dbraw/zinc/49/73/86/598497386.db2.gz BICXPEQIBALDFU-MRXNPFEDSA-N -1 3 378.461 3.777 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000738288274 598497388 /nfs/dbraw/zinc/49/73/88/598497388.db2.gz BICXPEQIBALDFU-MRXNPFEDSA-N -1 3 378.461 3.777 20 0 GHADHM Clc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1 ZINC000737576522 598506815 /nfs/dbraw/zinc/50/68/15/598506815.db2.gz YIBSNZIRQDBEER-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM Clc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1 ZINC000737576522 598506816 /nfs/dbraw/zinc/50/68/16/598506816.db2.gz YIBSNZIRQDBEER-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cc(C)ccc23)c1-c1nnn[n-]1 ZINC000736676979 598516171 /nfs/dbraw/zinc/51/61/71/598516171.db2.gz XPNIBFCYTBSROQ-UHFFFAOYSA-N -1 3 380.477 3.770 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cc(C)ccc23)c1-c1nn[n-]n1 ZINC000736676979 598516174 /nfs/dbraw/zinc/51/61/74/598516174.db2.gz XPNIBFCYTBSROQ-UHFFFAOYSA-N -1 3 380.477 3.770 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1-c1nnn[n-]1 ZINC000736676367 598517505 /nfs/dbraw/zinc/51/75/05/598517505.db2.gz SSAYROJDCGKIMY-UHFFFAOYSA-N -1 3 393.476 3.611 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1-c1nn[n-]n1 ZINC000736676367 598517507 /nfs/dbraw/zinc/51/75/07/598517507.db2.gz SSAYROJDCGKIMY-UHFFFAOYSA-N -1 3 393.476 3.611 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000738247097 598519100 /nfs/dbraw/zinc/51/91/00/598519100.db2.gz MFULXXFEZXDBPM-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000738247097 598519103 /nfs/dbraw/zinc/51/91/03/598519103.db2.gz MFULXXFEZXDBPM-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM Cc1ccc(CN(C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2)o1 ZINC000737336888 598534862 /nfs/dbraw/zinc/53/48/62/598534862.db2.gz JGKYJIJKCPNTHY-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1ccc(CN(C(=O)c2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2)o1 ZINC000737336888 598534863 /nfs/dbraw/zinc/53/48/63/598534863.db2.gz JGKYJIJKCPNTHY-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM CC(C)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735670458 598536839 /nfs/dbraw/zinc/53/68/39/598536839.db2.gz QBJZTGDMMUBICK-UHFFFAOYSA-N -1 3 386.912 3.784 20 0 GHADHM CC(C)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735670458 598536841 /nfs/dbraw/zinc/53/68/41/598536841.db2.gz QBJZTGDMMUBICK-UHFFFAOYSA-N -1 3 386.912 3.784 20 0 GHADHM Cc1cccc(OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737399479 598537816 /nfs/dbraw/zinc/53/78/16/598537816.db2.gz KMIFFLZSIZQUEV-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000737361633 598537989 /nfs/dbraw/zinc/53/79/89/598537989.db2.gz WSQYWBCWRRRMFI-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@@H]1C ZINC000736251341 598538768 /nfs/dbraw/zinc/53/87/68/598538768.db2.gz ILNSBEZADXBKLX-HBUWYVDXSA-N -1 3 395.463 3.593 20 0 GHADHM O=C(NCCC1=CCCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738055339 598539727 /nfs/dbraw/zinc/53/97/27/598539727.db2.gz LIITYCDJTLHMRT-UHFFFAOYSA-N -1 3 393.447 3.659 20 0 GHADHM CC1CCC(CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736238367 598540081 /nfs/dbraw/zinc/54/00/81/598540081.db2.gz VACZFIYMXIYMFD-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735448132 598544843 /nfs/dbraw/zinc/54/48/43/598544843.db2.gz PXSOIJWDUORTIE-NTMALXAHSA-N -1 3 389.337 3.649 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735448132 598544844 /nfs/dbraw/zinc/54/48/44/598544844.db2.gz PXSOIJWDUORTIE-NTMALXAHSA-N -1 3 389.337 3.649 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1F ZINC000736627857 598551561 /nfs/dbraw/zinc/55/15/61/598551561.db2.gz OLLKCKQVPUDBLH-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccccc1F ZINC000736627857 598551562 /nfs/dbraw/zinc/55/15/62/598551562.db2.gz OLLKCKQVPUDBLH-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM CCCCCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736451473 598560127 /nfs/dbraw/zinc/56/01/27/598560127.db2.gz NZNKSAOOZDVGEE-HNNXBMFYSA-N -1 3 394.479 3.766 20 0 GHADHM CCCCCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736451473 598560128 /nfs/dbraw/zinc/56/01/28/598560128.db2.gz NZNKSAOOZDVGEE-HNNXBMFYSA-N -1 3 394.479 3.766 20 0 GHADHM CC(C)(C)c1nc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000735656043 598566359 /nfs/dbraw/zinc/56/63/59/598566359.db2.gz GPYBEHPXEYVNLT-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1nc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000735656043 598566361 /nfs/dbraw/zinc/56/63/61/598566361.db2.gz GPYBEHPXEYVNLT-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM Fc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(Br)c1 ZINC000737661574 598568180 /nfs/dbraw/zinc/56/81/80/598568180.db2.gz YXIYZOBVULJNBV-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(Br)c1 ZINC000737661574 598568182 /nfs/dbraw/zinc/56/81/82/598568182.db2.gz YXIYZOBVULJNBV-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM O=C(CSc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737948554 598569914 /nfs/dbraw/zinc/56/99/14/598569914.db2.gz XPUANFOEWWFUJH-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737948554 598569915 /nfs/dbraw/zinc/56/99/15/598569915.db2.gz XPUANFOEWWFUJH-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737840952 598589157 /nfs/dbraw/zinc/58/91/57/598589157.db2.gz GJKGUTDEGCQPFY-UHFFFAOYSA-N -1 3 396.451 3.967 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737840952 598589159 /nfs/dbraw/zinc/58/91/59/598589159.db2.gz GJKGUTDEGCQPFY-UHFFFAOYSA-N -1 3 396.451 3.967 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000735496862 598590442 /nfs/dbraw/zinc/59/04/42/598590442.db2.gz KGFCQOLYIRHNFH-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000735496862 598590443 /nfs/dbraw/zinc/59/04/43/598590443.db2.gz KGFCQOLYIRHNFH-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM Cc1cccc(OC(F)F)c1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737402208 598602443 /nfs/dbraw/zinc/60/24/43/598602443.db2.gz UCCTVMWUFIRCHR-UHFFFAOYSA-N -1 3 375.379 3.658 20 0 GHADHM c1csc(-c2noc(-c3ccc(COc4ccccc4-c4nnn[n-]4)o3)n2)c1 ZINC000738453730 598607958 /nfs/dbraw/zinc/60/79/58/598607958.db2.gz YQIDPQWZIWFAMP-UHFFFAOYSA-N -1 3 392.400 3.817 20 0 GHADHM c1csc(-c2noc(-c3ccc(COc4ccccc4-c4nn[n-]n4)o3)n2)c1 ZINC000738453730 598607960 /nfs/dbraw/zinc/60/79/60/598607960.db2.gz YQIDPQWZIWFAMP-UHFFFAOYSA-N -1 3 392.400 3.817 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccc3cccnc32)no1 ZINC000736190021 598608657 /nfs/dbraw/zinc/60/86/57/598608657.db2.gz VXOZRGJCDHKKHT-ZDUSSCGKSA-N -1 3 399.414 3.529 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccc3cccnc32)no1 ZINC000736190021 598608659 /nfs/dbraw/zinc/60/86/59/598608659.db2.gz VXOZRGJCDHKKHT-ZDUSSCGKSA-N -1 3 399.414 3.529 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000736480929 598617140 /nfs/dbraw/zinc/61/71/40/598617140.db2.gz PJDYKHQHPFWPHX-UHFFFAOYSA-N -1 3 390.491 3.735 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000736480929 598617141 /nfs/dbraw/zinc/61/71/41/598617141.db2.gz PJDYKHQHPFWPHX-UHFFFAOYSA-N -1 3 390.491 3.735 20 0 GHADHM O=C(OCc1cccc2ccccc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738232078 598621277 /nfs/dbraw/zinc/62/12/77/598621277.db2.gz FLQRYSLCQAVNPB-NRFANRHFSA-N -1 3 399.454 3.732 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735914348 598630431 /nfs/dbraw/zinc/63/04/31/598630431.db2.gz XGMIWRIWAWDVBM-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735914348 598630432 /nfs/dbraw/zinc/63/04/32/598630432.db2.gz XGMIWRIWAWDVBM-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(CCc2ccccc2)CC1 ZINC000738163719 598633170 /nfs/dbraw/zinc/63/31/70/598633170.db2.gz TUSZIWLVMMPDPY-UHFFFAOYSA-N -1 3 394.454 3.883 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(CCc2ccccc2)CC1 ZINC000738163719 598633171 /nfs/dbraw/zinc/63/31/71/598633171.db2.gz TUSZIWLVMMPDPY-UHFFFAOYSA-N -1 3 394.454 3.883 20 0 GHADHM CCc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000736690903 598644813 /nfs/dbraw/zinc/64/48/13/598644813.db2.gz LVHWTBIZUJWZQE-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CCc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000736690903 598644815 /nfs/dbraw/zinc/64/48/15/598644815.db2.gz LVHWTBIZUJWZQE-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1 ZINC000735495171 598646006 /nfs/dbraw/zinc/64/60/06/598646006.db2.gz CJASSRMJLLSJSG-JTQLQIEISA-N -1 3 381.461 3.508 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1 ZINC000735495171 598646008 /nfs/dbraw/zinc/64/60/08/598646008.db2.gz CJASSRMJLLSJSG-JTQLQIEISA-N -1 3 381.461 3.508 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cc(Cl)ccc1Cl ZINC000737946870 598647687 /nfs/dbraw/zinc/64/76/87/598647687.db2.gz HTVLPRMSLXXXMU-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cc(Cl)ccc1Cl ZINC000737946870 598647689 /nfs/dbraw/zinc/64/76/89/598647689.db2.gz HTVLPRMSLXXXMU-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736304673 598648007 /nfs/dbraw/zinc/64/80/07/598648007.db2.gz QHNGFARTDFMRAO-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736304673 598648009 /nfs/dbraw/zinc/64/80/09/598648009.db2.gz QHNGFARTDFMRAO-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736398227 598651866 /nfs/dbraw/zinc/65/18/66/598651866.db2.gz ZUDKCUVRCHRKCA-GOSISDBHSA-N -1 3 381.505 3.959 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736398227 598651868 /nfs/dbraw/zinc/65/18/68/598651868.db2.gz ZUDKCUVRCHRKCA-GOSISDBHSA-N -1 3 381.505 3.959 20 0 GHADHM COc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1OC ZINC000737041115 598652146 /nfs/dbraw/zinc/65/21/46/598652146.db2.gz LYBIJAAWJJTVGG-JTQLQIEISA-N -1 3 389.843 3.719 20 0 GHADHM COc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1OC ZINC000737041115 598652148 /nfs/dbraw/zinc/65/21/48/598652148.db2.gz LYBIJAAWJJTVGG-JTQLQIEISA-N -1 3 389.843 3.719 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736325498 598652659 /nfs/dbraw/zinc/65/26/59/598652659.db2.gz KLDNNOUGDTYENY-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736325498 598652661 /nfs/dbraw/zinc/65/26/61/598652661.db2.gz KLDNNOUGDTYENY-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736399141 598652778 /nfs/dbraw/zinc/65/27/78/598652778.db2.gz FCAAYAWBASKGTO-RDTXWAMCSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736399141 598652780 /nfs/dbraw/zinc/65/27/80/598652780.db2.gz FCAAYAWBASKGTO-RDTXWAMCSA-N -1 3 392.463 3.753 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735859272 598653360 /nfs/dbraw/zinc/65/33/60/598653360.db2.gz QJAZTTJRNGXGDT-UHFFFAOYSA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735859272 598653362 /nfs/dbraw/zinc/65/33/62/598653362.db2.gz QJAZTTJRNGXGDT-UHFFFAOYSA-N -1 3 377.448 3.920 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737320883 598654882 /nfs/dbraw/zinc/65/48/82/598654882.db2.gz QHRGCNHKBIOCGA-CQSZACIVSA-N -1 3 385.493 3.663 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737320883 598654884 /nfs/dbraw/zinc/65/48/84/598654884.db2.gz QHRGCNHKBIOCGA-CQSZACIVSA-N -1 3 385.493 3.663 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371855 598665749 /nfs/dbraw/zinc/66/57/49/598665749.db2.gz NPTZSQZXBFIVPY-FQEVSTJZSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371855 598665750 /nfs/dbraw/zinc/66/57/50/598665750.db2.gz NPTZSQZXBFIVPY-FQEVSTJZSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737409423 598665774 /nfs/dbraw/zinc/66/57/74/598665774.db2.gz OBLQBDATEQCCAC-FQEVSTJZSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737409423 598665776 /nfs/dbraw/zinc/66/57/76/598665776.db2.gz OBLQBDATEQCCAC-FQEVSTJZSA-N -1 3 391.475 3.528 20 0 GHADHM CCc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736692733 598696856 /nfs/dbraw/zinc/69/68/56/598696856.db2.gz XSJBJEHIBQNRQR-LBPRGKRZSA-N -1 3 385.468 3.829 20 0 GHADHM CCc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736692733 598696857 /nfs/dbraw/zinc/69/68/57/598696857.db2.gz XSJBJEHIBQNRQR-LBPRGKRZSA-N -1 3 385.468 3.829 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000737594411 598702723 /nfs/dbraw/zinc/70/27/23/598702723.db2.gz UXWLWWJKPUIOSG-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000737594411 598702724 /nfs/dbraw/zinc/70/27/24/598702724.db2.gz UXWLWWJKPUIOSG-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736191493 598704316 /nfs/dbraw/zinc/70/43/16/598704316.db2.gz JIRCQVNDEACHLX-SNVBAGLBSA-N -1 3 392.843 3.883 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736191493 598704318 /nfs/dbraw/zinc/70/43/18/598704318.db2.gz JIRCQVNDEACHLX-SNVBAGLBSA-N -1 3 392.843 3.883 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)c2cccnc12 ZINC000738234989 598708636 /nfs/dbraw/zinc/70/86/36/598708636.db2.gz JVKFHGONDNDPAY-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)c2cccnc12 ZINC000738234989 598708637 /nfs/dbraw/zinc/70/86/37/598708637.db2.gz JVKFHGONDNDPAY-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737810620 598712577 /nfs/dbraw/zinc/71/25/77/598712577.db2.gz YSZDRMMDJJWBQU-OAHLLOKOSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737810620 598712579 /nfs/dbraw/zinc/71/25/79/598712579.db2.gz YSZDRMMDJJWBQU-OAHLLOKOSA-N -1 3 394.328 3.785 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000737061314 598725458 /nfs/dbraw/zinc/72/54/58/598725458.db2.gz AFCUTXNSRSQPTB-UHFFFAOYSA-N -1 3 396.426 3.605 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000737061314 598725459 /nfs/dbraw/zinc/72/54/59/598725459.db2.gz AFCUTXNSRSQPTB-UHFFFAOYSA-N -1 3 396.426 3.605 20 0 GHADHM CCc1cccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000736698503 598734001 /nfs/dbraw/zinc/73/40/01/598734001.db2.gz IRFXHJPJWQRWBV-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CCc1cccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000736698503 598734003 /nfs/dbraw/zinc/73/40/03/598734003.db2.gz IRFXHJPJWQRWBV-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CC[C@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736332779 598734512 /nfs/dbraw/zinc/73/45/12/598734512.db2.gz OBJAQZCLVPESOS-MRXNPFEDSA-N -1 3 395.532 3.800 20 0 GHADHM CC[C@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736332779 598734513 /nfs/dbraw/zinc/73/45/13/598734513.db2.gz OBJAQZCLVPESOS-MRXNPFEDSA-N -1 3 395.532 3.800 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000736478892 598736336 /nfs/dbraw/zinc/73/63/36/598736336.db2.gz FNXVJMJNPTXCCQ-UHFFFAOYSA-N -1 3 388.475 3.638 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000736478892 598736338 /nfs/dbraw/zinc/73/63/38/598736338.db2.gz FNXVJMJNPTXCCQ-UHFFFAOYSA-N -1 3 388.475 3.638 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)ccc1F ZINC000737235436 598736755 /nfs/dbraw/zinc/73/67/55/598736755.db2.gz YEIHRGNBJIKDDR-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)ccc1F ZINC000737235436 598736757 /nfs/dbraw/zinc/73/67/57/598736757.db2.gz YEIHRGNBJIKDDR-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737819084 598742184 /nfs/dbraw/zinc/74/21/84/598742184.db2.gz LMAUFCVJUTYQIE-KRWDZBQOSA-N -1 3 387.487 3.553 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737819084 598742187 /nfs/dbraw/zinc/74/21/87/598742187.db2.gz LMAUFCVJUTYQIE-KRWDZBQOSA-N -1 3 387.487 3.553 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)sc2C)s1 ZINC000737287231 598749002 /nfs/dbraw/zinc/74/90/02/598749002.db2.gz FKIRBXMQVYPXCG-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)sc2C)s1 ZINC000737287231 598749004 /nfs/dbraw/zinc/74/90/04/598749004.db2.gz FKIRBXMQVYPXCG-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737800593 598753792 /nfs/dbraw/zinc/75/37/92/598753792.db2.gz ZPISNLCJGLYKJL-WTKPLQERSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737800593 598753795 /nfs/dbraw/zinc/75/37/95/598753795.db2.gz ZPISNLCJGLYKJL-WTKPLQERSA-N -1 3 391.431 3.580 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2)cc1 ZINC000737359010 598785778 /nfs/dbraw/zinc/78/57/78/598785778.db2.gz DDANGWPHDBUNJO-HNNXBMFYSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2)cc1 ZINC000737359010 598785779 /nfs/dbraw/zinc/78/57/79/598785779.db2.gz DDANGWPHDBUNJO-HNNXBMFYSA-N -1 3 399.458 3.996 20 0 GHADHM CCOc1ccc(C(=O)Nc2sc(CC)cc2-c2nnn[n-]2)cc1OCC ZINC000736637806 598789957 /nfs/dbraw/zinc/78/99/57/598789957.db2.gz QSPZCQBCFBMWOJ-UHFFFAOYSA-N -1 3 387.465 3.540 20 0 GHADHM CCOc1ccc(C(=O)Nc2sc(CC)cc2-c2nn[n-]n2)cc1OCC ZINC000736637806 598789958 /nfs/dbraw/zinc/78/99/58/598789958.db2.gz QSPZCQBCFBMWOJ-UHFFFAOYSA-N -1 3 387.465 3.540 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735734812 598790785 /nfs/dbraw/zinc/79/07/85/598790785.db2.gz JRYADEUCHFLALL-IBGZPJMESA-N -1 3 381.505 3.815 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735734812 598790786 /nfs/dbraw/zinc/79/07/86/598790786.db2.gz JRYADEUCHFLALL-IBGZPJMESA-N -1 3 381.505 3.815 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000735889281 598792412 /nfs/dbraw/zinc/79/24/12/598792412.db2.gz XXEBODSXQWZVAV-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000735889281 598792413 /nfs/dbraw/zinc/79/24/13/598792413.db2.gz XXEBODSXQWZVAV-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000736820976 598800495 /nfs/dbraw/zinc/80/04/95/598800495.db2.gz SJNASMVBQLFEAH-LJQANCHMSA-N -1 3 394.454 3.689 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000736820976 598800496 /nfs/dbraw/zinc/80/04/96/598800496.db2.gz SJNASMVBQLFEAH-LJQANCHMSA-N -1 3 394.454 3.689 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822237037 599295428 /nfs/dbraw/zinc/29/54/28/599295428.db2.gz BJRUSGOZNYFWOW-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822237037 599295430 /nfs/dbraw/zinc/29/54/30/599295430.db2.gz BJRUSGOZNYFWOW-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738195273 599299610 /nfs/dbraw/zinc/29/96/10/599299610.db2.gz CDLBBTYYNCAWRU-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738195273 599299613 /nfs/dbraw/zinc/29/96/13/599299613.db2.gz CDLBBTYYNCAWRU-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738385718 599306657 /nfs/dbraw/zinc/30/66/57/599306657.db2.gz XWJUIYZSLSDIAR-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738385718 599306659 /nfs/dbraw/zinc/30/66/59/599306659.db2.gz XWJUIYZSLSDIAR-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507242 599310143 /nfs/dbraw/zinc/31/01/43/599310143.db2.gz CDBHIMMMYBGANK-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507242 599310146 /nfs/dbraw/zinc/31/01/46/599310146.db2.gz CDBHIMMMYBGANK-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM C[C@H](SCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189575 599327671 /nfs/dbraw/zinc/32/76/71/599327671.db2.gz PVPRMGXVTMSMKD-HNNXBMFYSA-N -1 3 393.516 3.509 20 0 GHADHM C[C@H](SCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189575 599327676 /nfs/dbraw/zinc/32/76/76/599327676.db2.gz PVPRMGXVTMSMKD-HNNXBMFYSA-N -1 3 393.516 3.509 20 0 GHADHM COc1c(Cl)cc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737025130 599328380 /nfs/dbraw/zinc/32/83/80/599328380.db2.gz LXMRQHBKTJKPLS-UHFFFAOYSA-N -1 3 380.235 3.673 20 0 GHADHM COc1c(Cl)cc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737025130 599328382 /nfs/dbraw/zinc/32/83/82/599328382.db2.gz LXMRQHBKTJKPLS-UHFFFAOYSA-N -1 3 380.235 3.673 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735497159 599329473 /nfs/dbraw/zinc/32/94/73/599329473.db2.gz PQOHBJNIIPQLIO-ZDUSSCGKSA-N -1 3 383.477 3.691 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735497159 599329475 /nfs/dbraw/zinc/32/94/75/599329475.db2.gz PQOHBJNIIPQLIO-ZDUSSCGKSA-N -1 3 383.477 3.691 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735496178 599329809 /nfs/dbraw/zinc/32/98/09/599329809.db2.gz XJCLREQQKROTCE-KGLIPLIRSA-N -1 3 395.488 3.891 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735496178 599329812 /nfs/dbraw/zinc/32/98/12/599329812.db2.gz XJCLREQQKROTCE-KGLIPLIRSA-N -1 3 395.488 3.891 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735623636 599332272 /nfs/dbraw/zinc/33/22/72/599332272.db2.gz JUEIUPZIPKOBOD-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735623636 599332276 /nfs/dbraw/zinc/33/22/76/599332276.db2.gz JUEIUPZIPKOBOD-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM CCC[C@@H]1SCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736435528 599342675 /nfs/dbraw/zinc/34/26/75/599342675.db2.gz MLSJLYPJVIMAMT-SFHVURJKSA-N -1 3 395.488 3.974 20 0 GHADHM CCC[C@@H]1SCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736435528 599342678 /nfs/dbraw/zinc/34/26/78/599342678.db2.gz MLSJLYPJVIMAMT-SFHVURJKSA-N -1 3 395.488 3.974 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821482802 599345339 /nfs/dbraw/zinc/34/53/39/599345339.db2.gz VEBWNPAIZJCYSQ-KGLIPLIRSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821482802 599345340 /nfs/dbraw/zinc/34/53/40/599345340.db2.gz VEBWNPAIZJCYSQ-KGLIPLIRSA-N -1 3 381.505 3.787 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000819913741 599346471 /nfs/dbraw/zinc/34/64/71/599346471.db2.gz DUZWRJALQODJAK-UHFFFAOYSA-N -1 3 381.505 3.786 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000819913741 599346474 /nfs/dbraw/zinc/34/64/74/599346474.db2.gz DUZWRJALQODJAK-UHFFFAOYSA-N -1 3 381.505 3.786 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820555030 599350180 /nfs/dbraw/zinc/35/01/80/599350180.db2.gz DZBASIHHAYXGDX-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820555030 599350182 /nfs/dbraw/zinc/35/01/82/599350182.db2.gz DZBASIHHAYXGDX-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM CCC[C@@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)OCC ZINC000821020540 599371983 /nfs/dbraw/zinc/37/19/83/599371983.db2.gz DKSIULMMQUQBDD-GOSISDBHSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)OCC ZINC000821020540 599371986 /nfs/dbraw/zinc/37/19/86/599371986.db2.gz DKSIULMMQUQBDD-GOSISDBHSA-N -1 3 381.436 3.803 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000822130797 599387337 /nfs/dbraw/zinc/38/73/37/599387337.db2.gz YPMIKASOXOKUEC-UHFFFAOYSA-N -1 3 393.491 3.690 20 0 GHADHM COc1ccc(-c2nc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000821731419 599393480 /nfs/dbraw/zinc/39/34/80/599393480.db2.gz CRHYKUWMKQCZQJ-ZDUSSCGKSA-N -1 3 392.488 3.850 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4cc(-c5nnn[n-]5)c5ccccc5n4)CC3)nc2c1 ZINC000738433385 599403751 /nfs/dbraw/zinc/40/37/51/599403751.db2.gz RWMULRDOIVRINA-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4cc(-c5nn[n-]n5)c5ccccc5n4)CC3)nc2c1 ZINC000738433385 599403752 /nfs/dbraw/zinc/40/37/52/599403752.db2.gz RWMULRDOIVRINA-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM COc1ccc(Br)c(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737066901 599411934 /nfs/dbraw/zinc/41/19/34/599411934.db2.gz XKSIAOMFVCSHBM-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(Br)c(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737066901 599411937 /nfs/dbraw/zinc/41/19/37/599411937.db2.gz XKSIAOMFVCSHBM-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821431254 599431101 /nfs/dbraw/zinc/43/11/01/599431101.db2.gz NPEQQAWAGKYWKD-KDOFPFPSSA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821431254 599431104 /nfs/dbraw/zinc/43/11/04/599431104.db2.gz NPEQQAWAGKYWKD-KDOFPFPSSA-N -1 3 394.479 3.777 20 0 GHADHM COc1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000821803765 599433861 /nfs/dbraw/zinc/43/38/61/599433861.db2.gz HFZLTIAGXDLMTR-ZDUSSCGKSA-N -1 3 392.488 3.850 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(Nc2ccccc2)s1 ZINC000821752641 607377948 /nfs/dbraw/zinc/37/79/48/607377948.db2.gz OXLZYXGWMKOSGT-UHFFFAOYSA-N -1 3 397.489 3.763 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000822427185 607378232 /nfs/dbraw/zinc/37/82/32/607378232.db2.gz DVVLXBNTOKLXMU-UHFFFAOYSA-N -1 3 398.492 3.521 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000822427185 607378234 /nfs/dbraw/zinc/37/82/34/607378234.db2.gz DVVLXBNTOKLXMU-UHFFFAOYSA-N -1 3 398.492 3.521 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113971 599453314 /nfs/dbraw/zinc/45/33/14/599453314.db2.gz TXIIMALDCDEJOH-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113971 599453316 /nfs/dbraw/zinc/45/33/16/599453316.db2.gz TXIIMALDCDEJOH-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353342 599478583 /nfs/dbraw/zinc/47/85/83/599478583.db2.gz YWECQWAWKWIRPX-AEFFLSMTSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353342 599478586 /nfs/dbraw/zinc/47/85/86/599478586.db2.gz YWECQWAWKWIRPX-AEFFLSMTSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234841 599482115 /nfs/dbraw/zinc/48/21/15/599482115.db2.gz JHRGOOGSSKEGHY-CVEARBPZSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234841 599482116 /nfs/dbraw/zinc/48/21/16/599482116.db2.gz JHRGOOGSSKEGHY-CVEARBPZSA-N -1 3 378.480 3.509 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000823364024 599489116 /nfs/dbraw/zinc/48/91/16/599489116.db2.gz WMINNASSVJIIQB-UHFFFAOYSA-N -1 3 380.427 3.747 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000823364024 599489119 /nfs/dbraw/zinc/48/91/19/599489119.db2.gz WMINNASSVJIIQB-UHFFFAOYSA-N -1 3 380.427 3.747 20 0 GHADHM O=C(CCc1cc(Cl)cs1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737853266 599499555 /nfs/dbraw/zinc/49/95/55/599499555.db2.gz SDGMLFOQBVXXOA-UHFFFAOYSA-N -1 3 387.852 3.510 20 0 GHADHM O=C(CCc1cc(Cl)cs1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737853266 599499557 /nfs/dbraw/zinc/49/95/57/599499557.db2.gz SDGMLFOQBVXXOA-UHFFFAOYSA-N -1 3 387.852 3.510 20 0 GHADHM CCc1ccc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000736684225 599504025 /nfs/dbraw/zinc/50/40/25/599504025.db2.gz WPPPGCXQZAMBQJ-UHFFFAOYSA-N -1 3 392.507 3.592 20 0 GHADHM CCc1ccc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000736684225 599504026 /nfs/dbraw/zinc/50/40/26/599504026.db2.gz WPPPGCXQZAMBQJ-UHFFFAOYSA-N -1 3 392.507 3.592 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820234697 607382016 /nfs/dbraw/zinc/38/20/16/607382016.db2.gz PDSQUAKZZXTNLA-BDJLRTHQSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820234697 607382017 /nfs/dbraw/zinc/38/20/17/607382017.db2.gz PDSQUAKZZXTNLA-BDJLRTHQSA-N -1 3 377.370 3.810 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(-n2ccnc2)cc1 ZINC000737625477 599522999 /nfs/dbraw/zinc/52/29/99/599522999.db2.gz ANLAEICDUMJDKB-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1ccn(-c2ccccc2)n1 ZINC000737625973 599523587 /nfs/dbraw/zinc/52/35/87/599523587.db2.gz FCEZUDKMAZMIRR-UHFFFAOYSA-N -1 3 399.380 3.726 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c2cccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820398020 599524073 /nfs/dbraw/zinc/52/40/73/599524073.db2.gz ZMRDNQQLKWEWIG-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c2cccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820398020 599524074 /nfs/dbraw/zinc/52/40/74/599524074.db2.gz ZMRDNQQLKWEWIG-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)nc2ccccc12 ZINC000737476267 599524853 /nfs/dbraw/zinc/52/48/53/599524853.db2.gz AAESYAHGZTYLRM-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397216 599526144 /nfs/dbraw/zinc/52/61/44/599526144.db2.gz MYFNUPZKAUNKON-MRXNPFEDSA-N -1 3 383.455 3.949 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397216 599526147 /nfs/dbraw/zinc/52/61/47/599526147.db2.gz MYFNUPZKAUNKON-MRXNPFEDSA-N -1 3 383.455 3.949 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822229486 599527220 /nfs/dbraw/zinc/52/72/20/599527220.db2.gz VTCLTLKSLQVFSC-CVEARBPZSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822229486 599527222 /nfs/dbraw/zinc/52/72/22/599527222.db2.gz VTCLTLKSLQVFSC-CVEARBPZSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397788 599528462 /nfs/dbraw/zinc/52/84/62/599528462.db2.gz UDHYJNFJMSZNPA-GFCCVEGCSA-N -1 3 392.444 3.607 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397788 599528464 /nfs/dbraw/zinc/52/84/64/599528464.db2.gz UDHYJNFJMSZNPA-GFCCVEGCSA-N -1 3 392.444 3.607 20 0 GHADHM Cc1cccc2c1CCN(c1c(-c3nnn[n-]3)cnc3ccc(Cl)cc31)C2 ZINC000822340919 599529203 /nfs/dbraw/zinc/52/92/03/599529203.db2.gz NJEBWTKXUOKTQE-UHFFFAOYSA-N -1 3 376.851 3.939 20 0 GHADHM Cc1cccc2c1CCN(c1c(-c3nn[n-]n3)cnc3ccc(Cl)cc31)C2 ZINC000822340919 599529204 /nfs/dbraw/zinc/52/92/04/599529204.db2.gz NJEBWTKXUOKTQE-UHFFFAOYSA-N -1 3 376.851 3.939 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313076 599532963 /nfs/dbraw/zinc/53/29/63/599532963.db2.gz ACWZFGBXKHYPMP-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313076 599532966 /nfs/dbraw/zinc/53/29/66/599532966.db2.gz ACWZFGBXKHYPMP-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736055925 599538914 /nfs/dbraw/zinc/53/89/14/599538914.db2.gz JOPKMWRNVKYDPA-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736055925 599538916 /nfs/dbraw/zinc/53/89/16/599538916.db2.gz JOPKMWRNVKYDPA-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000159457497 599541285 /nfs/dbraw/zinc/54/12/85/599541285.db2.gz IPXGFHOYGYSXAV-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000159457497 599541286 /nfs/dbraw/zinc/54/12/86/599541286.db2.gz IPXGFHOYGYSXAV-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM CC[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1nccs1 ZINC000736364950 599551755 /nfs/dbraw/zinc/55/17/55/599551755.db2.gz UWPBHWAAKMACAQ-KRWDZBQOSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1nccs1 ZINC000736364950 599551757 /nfs/dbraw/zinc/55/17/57/599551757.db2.gz UWPBHWAAKMACAQ-KRWDZBQOSA-N -1 3 390.472 3.871 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737331881 599561197 /nfs/dbraw/zinc/56/11/97/599561197.db2.gz SPWXXZPJHYVSTR-SFHVURJKSA-N -1 3 379.464 3.845 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737331881 599561199 /nfs/dbraw/zinc/56/11/99/599561199.db2.gz SPWXXZPJHYVSTR-SFHVURJKSA-N -1 3 379.464 3.845 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1cccc(Cl)c1 ZINC000821221801 599564168 /nfs/dbraw/zinc/56/41/68/599564168.db2.gz MRCLKSNTFVFEJB-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1cccc(Cl)c1 ZINC000821221801 599564171 /nfs/dbraw/zinc/56/41/71/599564171.db2.gz MRCLKSNTFVFEJB-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1cccc2ccccc21 ZINC000821618159 599565157 /nfs/dbraw/zinc/56/51/57/599565157.db2.gz SRCUZQVISHIUGR-UHFFFAOYSA-N -1 3 397.442 3.702 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736525197 599567064 /nfs/dbraw/zinc/56/70/64/599567064.db2.gz ZSYHVJUEIKDTTI-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736057592 599606598 /nfs/dbraw/zinc/60/65/98/599606598.db2.gz XFZLZRULNWNABR-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736057592 599606599 /nfs/dbraw/zinc/60/65/99/599606599.db2.gz XFZLZRULNWNABR-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738165839 599612461 /nfs/dbraw/zinc/61/24/61/599612461.db2.gz FGRUFYKZVWDMSU-KSSFIOAISA-N -1 3 380.427 3.539 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738165839 599612464 /nfs/dbraw/zinc/61/24/64/599612464.db2.gz FGRUFYKZVWDMSU-KSSFIOAISA-N -1 3 380.427 3.539 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737320938 599614617 /nfs/dbraw/zinc/61/46/17/599614617.db2.gz RMSZGFTUORYSHL-KRWDZBQOSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737320938 599614618 /nfs/dbraw/zinc/61/46/18/599614618.db2.gz RMSZGFTUORYSHL-KRWDZBQOSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2SCCc3sccc32)c(-c2nnn[n-]2)c1C ZINC000822559201 599629099 /nfs/dbraw/zinc/62/90/99/599629099.db2.gz YACWEMWASXRISZ-GFCCVEGCSA-N -1 3 377.520 3.576 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2SCCc3sccc32)c(-c2nn[n-]n2)c1C ZINC000822559201 599629100 /nfs/dbraw/zinc/62/91/00/599629100.db2.gz YACWEMWASXRISZ-GFCCVEGCSA-N -1 3 377.520 3.576 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820299853 599633436 /nfs/dbraw/zinc/63/34/36/599633436.db2.gz LOPZZRFFNAVSMJ-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820299853 599633437 /nfs/dbraw/zinc/63/34/37/599633437.db2.gz LOPZZRFFNAVSMJ-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM CCC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820832902 599650968 /nfs/dbraw/zinc/65/09/68/599650968.db2.gz PGSQXWVIIJMHSH-BENRWUELSA-N -1 3 385.830 3.769 20 0 GHADHM CCC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820832902 599650969 /nfs/dbraw/zinc/65/09/69/599650969.db2.gz PGSQXWVIIJMHSH-BENRWUELSA-N -1 3 385.830 3.769 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822034402 599657650 /nfs/dbraw/zinc/65/76/50/599657650.db2.gz BONTWRVKQORGLM-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822034402 599657651 /nfs/dbraw/zinc/65/76/51/599657651.db2.gz BONTWRVKQORGLM-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823397319 599660422 /nfs/dbraw/zinc/66/04/22/599660422.db2.gz VEMWOTGJIQVBOL-UHFFFAOYSA-N -1 3 396.300 3.716 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823397319 599660423 /nfs/dbraw/zinc/66/04/23/599660423.db2.gz VEMWOTGJIQVBOL-UHFFFAOYSA-N -1 3 396.300 3.716 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352285 599673810 /nfs/dbraw/zinc/67/38/10/599673810.db2.gz SXBVCIVHHSNGLS-CABCVRRESA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352285 599673811 /nfs/dbraw/zinc/67/38/11/599673811.db2.gz SXBVCIVHHSNGLS-CABCVRRESA-N -1 3 378.480 3.593 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000821389590 599684450 /nfs/dbraw/zinc/68/44/50/599684450.db2.gz PIXRTHVINBHSJP-UHFFFAOYSA-N -1 3 391.431 3.593 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000821389590 599684451 /nfs/dbraw/zinc/68/44/51/599684451.db2.gz PIXRTHVINBHSJP-UHFFFAOYSA-N -1 3 391.431 3.593 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820248984 599689335 /nfs/dbraw/zinc/68/93/35/599689335.db2.gz QHABCILTZUYTII-ZDUSSCGKSA-N -1 3 397.504 3.851 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820248984 599689336 /nfs/dbraw/zinc/68/93/36/599689336.db2.gz QHABCILTZUYTII-ZDUSSCGKSA-N -1 3 397.504 3.851 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823331207 599690005 /nfs/dbraw/zinc/69/00/05/599690005.db2.gz CJIAFLAUGNZSPI-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(Oc2ccccc2)ccn1 ZINC000823331207 599690006 /nfs/dbraw/zinc/69/00/06/599690006.db2.gz CJIAFLAUGNZSPI-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)on1 ZINC000822201132 599693026 /nfs/dbraw/zinc/69/30/26/599693026.db2.gz SADNXJRAUXCOAB-UHFFFAOYSA-N -1 3 393.428 3.675 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822201132 599693027 /nfs/dbraw/zinc/69/30/27/599693027.db2.gz SADNXJRAUXCOAB-UHFFFAOYSA-N -1 3 393.428 3.675 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000522252057 599693374 /nfs/dbraw/zinc/69/33/74/599693374.db2.gz VUHKNPDLYGQPBL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000522252057 599693375 /nfs/dbraw/zinc/69/33/75/599693375.db2.gz VUHKNPDLYGQPBL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000739755955 599771906 /nfs/dbraw/zinc/77/19/06/599771906.db2.gz GJSXXYJQRLGGHX-GOSISDBHSA-N -1 3 384.451 3.694 20 0 GHADHM CC(C)N(Cc1cc(C(=O)[O-])co1)C[C@H](O)COc1cccc2ccccc21 ZINC000736472337 599814795 /nfs/dbraw/zinc/81/47/95/599814795.db2.gz UFKHIJWQGUUIJR-SFHVURJKSA-N -1 3 383.444 3.781 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CSc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820164130 607398644 /nfs/dbraw/zinc/39/86/44/607398644.db2.gz DRAQIOSPHFHGPV-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CSc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820164130 607398646 /nfs/dbraw/zinc/39/86/46/607398646.db2.gz DRAQIOSPHFHGPV-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C ZINC000826251092 607402320 /nfs/dbraw/zinc/40/23/20/607402320.db2.gz DZHCAPAQRBJCMD-LLVKDONJSA-N -1 3 396.838 3.633 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C ZINC000826251092 607402321 /nfs/dbraw/zinc/40/23/21/607402321.db2.gz DZHCAPAQRBJCMD-LLVKDONJSA-N -1 3 396.838 3.633 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000826251336 607402714 /nfs/dbraw/zinc/40/27/14/607402714.db2.gz MIFFTGGMSLMMRR-FQEVSTJZSA-N -1 3 385.427 3.711 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000826251336 607402716 /nfs/dbraw/zinc/40/27/16/607402716.db2.gz MIFFTGGMSLMMRR-FQEVSTJZSA-N -1 3 385.427 3.711 20 0 GHADHM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000739659235 599951918 /nfs/dbraw/zinc/95/19/18/599951918.db2.gz LGXANVITZXTNIW-TZIWHRDSSA-N -1 3 398.478 3.760 20 0 GHADHM Cc1cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)oc1C(=O)[O-] ZINC000738625731 599956201 /nfs/dbraw/zinc/95/62/01/599956201.db2.gz XAUOWCGSIGCMLN-MRXNPFEDSA-N -1 3 385.464 3.628 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000652409948 600104573 /nfs/dbraw/zinc/10/45/73/600104573.db2.gz FJMZGZWLZNVKMW-UHFFFAOYSA-N -1 3 381.407 3.954 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000826427859 607420319 /nfs/dbraw/zinc/42/03/19/607420319.db2.gz DRLIPOWKNZSBOC-UHFFFAOYSA-N -1 3 396.454 3.711 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000826427859 607420321 /nfs/dbraw/zinc/42/03/21/607420321.db2.gz DRLIPOWKNZSBOC-UHFFFAOYSA-N -1 3 396.454 3.711 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000826428145 607420380 /nfs/dbraw/zinc/42/03/80/607420380.db2.gz PXJJFVPGRICSNP-UHFFFAOYSA-N -1 3 396.813 3.560 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000826428145 607420381 /nfs/dbraw/zinc/42/03/81/607420381.db2.gz PXJJFVPGRICSNP-UHFFFAOYSA-N -1 3 396.813 3.560 20 0 GHADHM Cc1ccc2c(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)coc2c1C ZINC000826293083 607422517 /nfs/dbraw/zinc/42/25/17/607422517.db2.gz AANBCXMFUJGTIY-UHFFFAOYSA-N -1 3 387.443 3.578 20 0 GHADHM Cc1ccc2c(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)coc2c1C ZINC000826293083 607422519 /nfs/dbraw/zinc/42/25/19/607422519.db2.gz AANBCXMFUJGTIY-UHFFFAOYSA-N -1 3 387.443 3.578 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000740025754 600145567 /nfs/dbraw/zinc/14/55/67/600145567.db2.gz WIGGJNTWUJZGLP-IBGZPJMESA-N -1 3 381.476 3.662 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423024 607421304 /nfs/dbraw/zinc/42/13/04/607421304.db2.gz VVMKVYOVXKETDK-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423024 607421310 /nfs/dbraw/zinc/42/13/10/607421310.db2.gz VVMKVYOVXKETDK-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820164086 607429142 /nfs/dbraw/zinc/42/91/42/607429142.db2.gz CKBJKHOSRHWTLS-AWEZNQCLSA-N -1 3 380.452 3.879 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820164086 607429143 /nfs/dbraw/zinc/42/91/43/607429143.db2.gz CKBJKHOSRHWTLS-AWEZNQCLSA-N -1 3 380.452 3.879 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Nc3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737123341 600225374 /nfs/dbraw/zinc/22/53/74/600225374.db2.gz SSDRAKDUAVQWTE-UHFFFAOYSA-N -1 3 383.452 3.562 20 0 GHADHM CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829352 607433896 /nfs/dbraw/zinc/43/38/96/607433896.db2.gz CKLMIJPYFPHAMI-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829352 607433897 /nfs/dbraw/zinc/43/38/97/607433897.db2.gz CKLMIJPYFPHAMI-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826282963 607434515 /nfs/dbraw/zinc/43/45/15/607434515.db2.gz HFSHUSRBJCEBLA-HNNXBMFYSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826282963 607434516 /nfs/dbraw/zinc/43/45/16/607434516.db2.gz HFSHUSRBJCEBLA-HNNXBMFYSA-N -1 3 379.464 3.729 20 0 GHADHM CC[C@@](NCc1cccc(C(=O)NCc2ccco2)c1)(C(=O)[O-])c1ccccc1 ZINC000736920155 600304994 /nfs/dbraw/zinc/30/49/94/600304994.db2.gz ILUMRVDYECIEDI-QHCPKHFHSA-N -1 3 392.455 3.689 20 0 GHADHM O=C([O-])c1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1F ZINC000739403188 600384717 /nfs/dbraw/zinc/38/47/17/600384717.db2.gz FZAUIMBSVWBHNI-HNNXBMFYSA-N -1 3 377.441 3.544 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000739516178 600401968 /nfs/dbraw/zinc/40/19/68/600401968.db2.gz LCLMEQFJDGUGTM-FQEVSTJZSA-N -1 3 398.890 3.767 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c(F)c1 ZINC000739406919 600404101 /nfs/dbraw/zinc/40/41/01/600404101.db2.gz KSGLXBMVFIIFJJ-KRWDZBQOSA-N -1 3 385.439 3.700 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000825135038 607448104 /nfs/dbraw/zinc/44/81/04/607448104.db2.gz YQDRATMPPFUUDD-KRWDZBQOSA-N -1 3 396.882 3.960 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000825135038 607448105 /nfs/dbraw/zinc/44/81/05/607448105.db2.gz YQDRATMPPFUUDD-KRWDZBQOSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000736723545 600516170 /nfs/dbraw/zinc/51/61/70/600516170.db2.gz GXWFGHIRZKNRLX-BBRMVZONSA-N -1 3 387.867 3.995 20 0 GHADHM O=C([O-])c1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1Cl ZINC000390459688 600540146 /nfs/dbraw/zinc/54/01/46/600540146.db2.gz BNRCQUNKYBPOFR-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM C[C@H](CN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736576871 600545677 /nfs/dbraw/zinc/54/56/77/600545677.db2.gz OECZUTPVPWTITJ-OPAMFIHVSA-N -1 3 398.478 3.559 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)N1CCN(C2CCC(C)CC2)CC1)C(=O)[O-] ZINC000736770110 600610255 /nfs/dbraw/zinc/61/02/55/600610255.db2.gz ZBUAWRUCIUDDQN-AQFXKWCLSA-N -1 3 390.549 3.588 20 0 GHADHM O=C([O-])c1ccc(OCCN2CC[C@H](COCc3ccccc3)C2)c(Cl)c1 ZINC000576998051 600838831 /nfs/dbraw/zinc/83/88/31/600838831.db2.gz BMFMQEYRFVGZCA-KRWDZBQOSA-N -1 3 389.879 3.956 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820426550 607485131 /nfs/dbraw/zinc/48/51/31/607485131.db2.gz LLJWIIBOGMSCNE-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820426550 607485133 /nfs/dbraw/zinc/48/51/33/607485133.db2.gz LLJWIIBOGMSCNE-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM CC[C@@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000829152706 601114427 /nfs/dbraw/zinc/11/44/27/601114427.db2.gz ZJVMDXPIDIVRCM-WIYYLYMNSA-N -1 3 395.503 3.908 20 0 GHADHM Cc1ccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000832946675 601145300 /nfs/dbraw/zinc/14/53/00/601145300.db2.gz YMJGURGKKBIASF-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000826054457 601203961 /nfs/dbraw/zinc/20/39/61/601203961.db2.gz NDTXFEBJYJOTMQ-SJCJKPOMSA-N -1 3 396.365 3.575 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000832914445 601511573 /nfs/dbraw/zinc/51/15/73/601511573.db2.gz FHTGTVUCBRKPLG-LDNFRZNASA-N -1 3 382.460 3.563 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000833032977 601634237 /nfs/dbraw/zinc/63/42/37/601634237.db2.gz RKMPPIYPYATPDM-UHFFFAOYSA-N -1 3 384.299 3.551 20 0 GHADHM Cc1cc(F)ccc1N(Cc1nccs1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826268969 607519791 /nfs/dbraw/zinc/51/97/91/607519791.db2.gz VYNLEFGZZUUOQA-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM Cc1cc(F)ccc1N(Cc1nccs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826268969 607519792 /nfs/dbraw/zinc/51/97/92/607519792.db2.gz VYNLEFGZZUUOQA-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM C[C@H](N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827710617 601974393 /nfs/dbraw/zinc/97/43/93/601974393.db2.gz SZEHGEFUFZRXDN-YPMLDQLKSA-N -1 3 393.270 3.989 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826283855 607541992 /nfs/dbraw/zinc/54/19/92/607541992.db2.gz CPUQRBGHTMTXBR-GOSISDBHSA-N -1 3 377.427 3.673 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826283855 607541993 /nfs/dbraw/zinc/54/19/93/607541993.db2.gz CPUQRBGHTMTXBR-GOSISDBHSA-N -1 3 377.427 3.673 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cccc(COCC(F)(F)F)c2)n1 ZINC000826263317 607542706 /nfs/dbraw/zinc/54/27/06/607542706.db2.gz VIGOEDITWZEKGS-UHFFFAOYSA-N -1 3 392.385 3.570 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cccc(COCC(F)(F)F)c2)n1 ZINC000826263317 607542708 /nfs/dbraw/zinc/54/27/08/607542708.db2.gz VIGOEDITWZEKGS-UHFFFAOYSA-N -1 3 392.385 3.570 20 0 GHADHM COc1cccc(-c2nc(CN[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)cs2)c1 ZINC000739942570 602097370 /nfs/dbraw/zinc/09/73/70/602097370.db2.gz KYMPOQCLQCTIJT-ZFWWWQNUSA-N -1 3 375.494 3.687 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2c(OC)ccc3ccccc32)C(=O)[O-])c1 ZINC000832057664 602165976 /nfs/dbraw/zinc/16/59/76/602165976.db2.gz QPMDSBUWBDWGON-NRFANRHFSA-N -1 3 381.428 3.781 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC000832049030 602166394 /nfs/dbraw/zinc/16/63/94/602166394.db2.gz DIBYGJXUVVMUTE-RNODOKPDSA-N -1 3 389.448 3.506 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2ccc(Br)cc2C)C(=O)[O-])c1 ZINC000832058059 602171869 /nfs/dbraw/zinc/17/18/69/602171869.db2.gz VAEPZCKGDQOQOZ-KRWDZBQOSA-N -1 3 394.265 3.690 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825782845 607565694 /nfs/dbraw/zinc/56/56/94/607565694.db2.gz RMNFFWPPMGRTIH-KRWDZBQOSA-N -1 3 379.468 3.504 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825782845 607565695 /nfs/dbraw/zinc/56/56/95/607565695.db2.gz RMNFFWPPMGRTIH-KRWDZBQOSA-N -1 3 379.468 3.504 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000740185550 602499239 /nfs/dbraw/zinc/49/92/39/602499239.db2.gz VNGACICSNUAZPN-UHFFFAOYSA-N -1 3 385.439 3.572 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])N(C)C)cc1 ZINC000740116186 602605430 /nfs/dbraw/zinc/60/54/30/602605430.db2.gz AOVCAHJOAJFVOI-HXUWFJFHSA-N -1 3 396.491 3.850 20 0 GHADHM O=C([O-])N1CCCc2cc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000740466470 602607517 /nfs/dbraw/zinc/60/75/17/602607517.db2.gz XQYSRGCIDZWIHR-LJQANCHMSA-N -1 3 394.475 3.513 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739352079 602975037 /nfs/dbraw/zinc/97/50/37/602975037.db2.gz BSQKSKOMVOSMIE-GFCCVEGCSA-N -1 3 388.295 3.644 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825918981 607618125 /nfs/dbraw/zinc/61/81/25/607618125.db2.gz RTUUOHAUMPZWLW-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825918981 607618127 /nfs/dbraw/zinc/61/81/27/607618127.db2.gz RTUUOHAUMPZWLW-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM c1cn(Cc2ccccc2)c(Cc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)n1 ZINC000826521875 607645455 /nfs/dbraw/zinc/64/54/55/607645455.db2.gz BVKMPIWJZNBZQO-UHFFFAOYSA-N -1 3 399.483 3.826 20 0 GHADHM c1cn(Cc2ccccc2)c(Cc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)n1 ZINC000826521875 607645457 /nfs/dbraw/zinc/64/54/57/607645457.db2.gz BVKMPIWJZNBZQO-UHFFFAOYSA-N -1 3 399.483 3.826 20 0 GHADHM CCN(CC)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccsc1 ZINC000827034697 603840348 /nfs/dbraw/zinc/84/03/48/603840348.db2.gz DNXAEXCIWIXACM-NXCDMZCRSA-N -1 3 393.553 3.558 20 0 GHADHM O=C(CSc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000826420934 607656969 /nfs/dbraw/zinc/65/69/69/607656969.db2.gz JSQAZGWXWHJBCS-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826420934 607656970 /nfs/dbraw/zinc/65/69/70/607656970.db2.gz JSQAZGWXWHJBCS-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)CC1CCN(C(=O)[O-])CC1 ZINC000826915995 603906963 /nfs/dbraw/zinc/90/69/63/603906963.db2.gz BQMXJHVYPUQQSN-UHFFFAOYSA-N -1 3 392.887 3.992 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000825794285 603993064 /nfs/dbraw/zinc/99/30/64/603993064.db2.gz IQSWIQGEPPEYPK-CJNGLKHVSA-N -1 3 386.427 3.700 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825159763 607674984 /nfs/dbraw/zinc/67/49/84/607674984.db2.gz SXFRIDYJGGTDPB-AZUAARDMSA-N -1 3 375.476 3.974 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825159763 607674986 /nfs/dbraw/zinc/67/49/86/607674986.db2.gz SXFRIDYJGGTDPB-AZUAARDMSA-N -1 3 375.476 3.974 20 0 GHADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000825263470 604251953 /nfs/dbraw/zinc/25/19/53/604251953.db2.gz GTKWYHWEYGXDRS-QFBILLFUSA-N -1 3 381.476 3.807 20 0 GHADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826306909 607683933 /nfs/dbraw/zinc/68/39/33/607683933.db2.gz PJWDVIYOHPBACN-UHFFFAOYSA-N -1 3 398.470 3.721 20 0 GHADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826306909 607683934 /nfs/dbraw/zinc/68/39/34/607683934.db2.gz PJWDVIYOHPBACN-UHFFFAOYSA-N -1 3 398.470 3.721 20 0 GHADHM O=C([O-])N1CCCc2cc(NC(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000831772431 604337168 /nfs/dbraw/zinc/33/71/68/604337168.db2.gz DPXFXRNFQJUHJI-UHFFFAOYSA-N -1 3 386.496 3.599 20 0 GHADHM C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514953 607692961 /nfs/dbraw/zinc/69/29/61/607692961.db2.gz QBZZKQBHJYROGN-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514953 607692964 /nfs/dbraw/zinc/69/29/64/607692964.db2.gz QBZZKQBHJYROGN-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826233684 607693944 /nfs/dbraw/zinc/69/39/44/607693944.db2.gz RKJWHLBQFQZTAW-UHFFFAOYSA-N -1 3 380.839 3.582 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826233684 607693946 /nfs/dbraw/zinc/69/39/46/607693946.db2.gz RKJWHLBQFQZTAW-UHFFFAOYSA-N -1 3 380.839 3.582 20 0 GHADHM C[C@@H](Oc1ccc(CN(C)Cc2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000833536288 604519512 /nfs/dbraw/zinc/51/95/12/604519512.db2.gz ALVFXLSQQWYGNK-CYBMUJFWSA-N -1 3 378.266 3.933 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000826247232 607698671 /nfs/dbraw/zinc/69/86/71/607698671.db2.gz XGZFLTGOQSHEHA-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000826247232 607698673 /nfs/dbraw/zinc/69/86/73/607698673.db2.gz XGZFLTGOQSHEHA-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833544482 604637269 /nfs/dbraw/zinc/63/72/69/604637269.db2.gz YMWYOPKGKGRPHZ-YCRPNKLZSA-N -1 3 387.451 3.623 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457739 607707798 /nfs/dbraw/zinc/70/77/98/607707798.db2.gz OFHKAPFZPSHDSN-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457739 607707800 /nfs/dbraw/zinc/70/78/00/607707800.db2.gz OFHKAPFZPSHDSN-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833549544 604918807 /nfs/dbraw/zinc/91/88/07/604918807.db2.gz ZWZMVRRTBZIZBH-KXBFYZLASA-N -1 3 384.501 3.892 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccs1 ZINC000833422514 604948905 /nfs/dbraw/zinc/94/89/05/604948905.db2.gz FHDAQAAZMSCMOL-YOEHRIQHSA-N -1 3 380.554 3.774 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826465688 607725668 /nfs/dbraw/zinc/72/56/68/607725668.db2.gz XRNQLDDOKZOVBG-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826465688 607725670 /nfs/dbraw/zinc/72/56/70/607725670.db2.gz XRNQLDDOKZOVBG-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737644675 605123006 /nfs/dbraw/zinc/12/30/06/605123006.db2.gz WOSNISKSBJXIHX-HUUCEWRRSA-N -1 3 378.538 3.549 20 0 GHADHM O=C([O-])N1CCc2cccc(CNc3cccc(CN4CCSCC4)c3)c21 ZINC000832086275 605253251 /nfs/dbraw/zinc/25/32/51/605253251.db2.gz DJQQQXQJEHWTKA-UHFFFAOYSA-N -1 3 383.517 3.888 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826283002 607743647 /nfs/dbraw/zinc/74/36/47/607743647.db2.gz IDVUQTQDOFGGHD-UHFFFAOYSA-N -1 3 397.454 3.523 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826283002 607743648 /nfs/dbraw/zinc/74/36/48/607743648.db2.gz IDVUQTQDOFGGHD-UHFFFAOYSA-N -1 3 397.454 3.523 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826233559 607746019 /nfs/dbraw/zinc/74/60/19/607746019.db2.gz MCIGJARZXNKFPH-SNVBAGLBSA-N -1 3 380.839 3.801 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826233559 607746020 /nfs/dbraw/zinc/74/60/20/607746020.db2.gz MCIGJARZXNKFPH-SNVBAGLBSA-N -1 3 380.839 3.801 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000825539425 607757677 /nfs/dbraw/zinc/75/76/77/607757677.db2.gz OICQDXKDFYCJJD-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000825539425 607757678 /nfs/dbraw/zinc/75/76/78/607757678.db2.gz OICQDXKDFYCJJD-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830445044 605589367 /nfs/dbraw/zinc/58/93/67/605589367.db2.gz DPHKPWKRDQSCAA-PXNSSMCTSA-N -1 3 379.460 3.841 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824457434 607769312 /nfs/dbraw/zinc/76/93/12/607769312.db2.gz MHMVIKHEQSBZMR-CYBMUJFWSA-N -1 3 390.472 3.808 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824457434 607769313 /nfs/dbraw/zinc/76/93/13/607769313.db2.gz MHMVIKHEQSBZMR-CYBMUJFWSA-N -1 3 390.472 3.808 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc2ccccc2o1 ZINC000826459396 607770000 /nfs/dbraw/zinc/77/00/00/607770000.db2.gz IGOLMJBKLKCVJM-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc2ccccc2o1 ZINC000826459396 607770001 /nfs/dbraw/zinc/77/00/01/607770001.db2.gz IGOLMJBKLKCVJM-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc(F)ccc1F ZINC000826459776 607770083 /nfs/dbraw/zinc/77/00/83/607770083.db2.gz ZCGHZERPIDUFHO-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc(F)ccc1F ZINC000826459776 607770084 /nfs/dbraw/zinc/77/00/84/607770084.db2.gz ZCGHZERPIDUFHO-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824918316 607772002 /nfs/dbraw/zinc/77/20/02/607772002.db2.gz PLQBZESKUXKVJY-IFXJQAMLSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824918316 607772003 /nfs/dbraw/zinc/77/20/03/607772003.db2.gz PLQBZESKUXKVJY-IFXJQAMLSA-N -1 3 393.516 3.855 20 0 GHADHM O=C([O-])N1CCC([C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2ccc(F)cc2)CC1 ZINC000834076264 605983527 /nfs/dbraw/zinc/98/35/27/605983527.db2.gz XELMMDYDUQUFJY-PCCBWWKXSA-N -1 3 384.451 3.505 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000820321183 606029330 /nfs/dbraw/zinc/02/93/30/606029330.db2.gz CFYAMWCSGPHANA-SIFUEBAJSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccncc2)cc1 ZINC000820321183 606029336 /nfs/dbraw/zinc/02/93/36/606029336.db2.gz CFYAMWCSGPHANA-SIFUEBAJSA-N -1 3 396.454 3.819 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822230628 606031242 /nfs/dbraw/zinc/03/12/42/606031242.db2.gz MBFQGRLOGWOUNU-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822230628 606031245 /nfs/dbraw/zinc/03/12/45/606031245.db2.gz MBFQGRLOGWOUNU-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820939858 606125986 /nfs/dbraw/zinc/12/59/86/606125986.db2.gz ZKFFANXSKWAMFG-HNNXBMFYSA-N -1 3 382.468 3.528 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820939858 606125987 /nfs/dbraw/zinc/12/59/87/606125987.db2.gz ZKFFANXSKWAMFG-HNNXBMFYSA-N -1 3 382.468 3.528 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000823109095 606128908 /nfs/dbraw/zinc/12/89/08/606128908.db2.gz XWKFFUDHRQKRDO-HNNXBMFYSA-N -1 3 396.756 3.909 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000823109095 606128909 /nfs/dbraw/zinc/12/89/09/606128909.db2.gz XWKFFUDHRQKRDO-HNNXBMFYSA-N -1 3 396.756 3.909 20 0 GHADHM O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823060412 606130986 /nfs/dbraw/zinc/13/09/86/606130986.db2.gz AVNMFUUJYRCVNB-UHFFFAOYSA-N -1 3 393.394 3.757 20 0 GHADHM O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823060412 606130987 /nfs/dbraw/zinc/13/09/87/606130987.db2.gz AVNMFUUJYRCVNB-UHFFFAOYSA-N -1 3 393.394 3.757 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@H]1CC12CCCC2 ZINC000823357524 606149044 /nfs/dbraw/zinc/14/90/44/606149044.db2.gz WVSJYGSWQBTCGK-MRXNPFEDSA-N -1 3 376.420 3.573 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@H]1CC12CCCC2 ZINC000823357524 606149046 /nfs/dbraw/zinc/14/90/46/606149046.db2.gz WVSJYGSWQBTCGK-MRXNPFEDSA-N -1 3 376.420 3.573 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821983893 606150932 /nfs/dbraw/zinc/15/09/32/606150932.db2.gz KIAJYXSZRWAXGI-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000821983893 606150933 /nfs/dbraw/zinc/15/09/33/606150933.db2.gz KIAJYXSZRWAXGI-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1N[C@@H](C)C(=O)N(C)C(C)C ZINC000822211629 606155294 /nfs/dbraw/zinc/15/52/94/606155294.db2.gz IEGHUDHDNBKIGC-HNNXBMFYSA-N -1 3 394.479 3.635 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1N[C@@H](C)C(=O)N(C)C(C)C ZINC000822211629 606155295 /nfs/dbraw/zinc/15/52/95/606155295.db2.gz IEGHUDHDNBKIGC-HNNXBMFYSA-N -1 3 394.479 3.635 20 0 GHADHM CC(C)c1cn(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(=S)n1C ZINC000820197983 606155833 /nfs/dbraw/zinc/15/58/33/606155833.db2.gz PZBMZCHXZSQFIB-UHFFFAOYSA-N -1 3 385.541 3.728 20 0 GHADHM CSc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821982888 606161773 /nfs/dbraw/zinc/16/17/73/606161773.db2.gz BJYJCSFJICHDOF-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM CSc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821982888 606161774 /nfs/dbraw/zinc/16/17/74/606161774.db2.gz BJYJCSFJICHDOF-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548852 606178987 /nfs/dbraw/zinc/17/89/87/606178987.db2.gz GTBUNHWZTRZQKD-ZVZYQTTQSA-N -1 3 385.537 3.842 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548852 606178989 /nfs/dbraw/zinc/17/89/89/606178989.db2.gz GTBUNHWZTRZQKD-ZVZYQTTQSA-N -1 3 385.537 3.842 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(Oc2nccs2)cc1 ZINC000822935406 606182248 /nfs/dbraw/zinc/18/22/48/606182248.db2.gz JVMBIPORZFMDHU-YHYXMXQVSA-N -1 3 391.412 3.734 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(Oc2nccs2)cc1 ZINC000822935406 606182249 /nfs/dbraw/zinc/18/22/49/606182249.db2.gz JVMBIPORZFMDHU-YHYXMXQVSA-N -1 3 391.412 3.734 20 0 GHADHM COc1ccccc1C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000821889448 606191823 /nfs/dbraw/zinc/19/18/23/606191823.db2.gz BGBKQVAIIVVRHB-KRWDZBQOSA-N -1 3 394.479 3.573 20 0 GHADHM COc1ccccc1C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000821889448 606191824 /nfs/dbraw/zinc/19/18/24/606191824.db2.gz BGBKQVAIIVVRHB-KRWDZBQOSA-N -1 3 394.479 3.573 20 0 GHADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000822299748 606200476 /nfs/dbraw/zinc/20/04/76/606200476.db2.gz UDBMXXSZJHKERS-MRXNPFEDSA-N -1 3 396.520 3.629 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820154910 606264532 /nfs/dbraw/zinc/26/45/32/606264532.db2.gz CKOSWOVQWIUEKL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820154910 606264534 /nfs/dbraw/zinc/26/45/34/606264534.db2.gz CKOSWOVQWIUEKL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM O=C(N[C@H]1CC=CCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823145038 606277960 /nfs/dbraw/zinc/27/79/60/606277960.db2.gz OPHKGPFUZGUHAO-HNNXBMFYSA-N -1 3 377.473 3.856 20 0 GHADHM O=C(N[C@H]1CC=CCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823145038 606277961 /nfs/dbraw/zinc/27/79/61/606277961.db2.gz OPHKGPFUZGUHAO-HNNXBMFYSA-N -1 3 377.473 3.856 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CSC)cc1 ZINC000821123443 606282136 /nfs/dbraw/zinc/28/21/36/606282136.db2.gz STNDQXBSVNHVJM-UHFFFAOYSA-N -1 3 382.493 3.804 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)c3ccc(Sc4ccccc4-c4nnn[n-]4)cc3)C[C@@H]21 ZINC000820585003 606283540 /nfs/dbraw/zinc/28/35/40/606283540.db2.gz MKMVKHPCSXGZAI-CALCHBBNSA-N -1 3 391.500 3.746 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)c3ccc(Sc4ccccc4-c4nn[n-]n4)cc3)C[C@@H]21 ZINC000820585003 606283542 /nfs/dbraw/zinc/28/35/42/606283542.db2.gz MKMVKHPCSXGZAI-CALCHBBNSA-N -1 3 391.500 3.746 20 0 GHADHM CC(C)=C(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820005931 606285353 /nfs/dbraw/zinc/28/53/53/606285353.db2.gz ZICBOHLHWUDILT-UHFFFAOYSA-N -1 3 381.411 3.880 20 0 GHADHM CC(C)=C(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820005931 606285355 /nfs/dbraw/zinc/28/53/55/606285355.db2.gz ZICBOHLHWUDILT-UHFFFAOYSA-N -1 3 381.411 3.880 20 0 GHADHM O=C1[C@H](S[C@H]2CCCc3ccccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511970 606311286 /nfs/dbraw/zinc/31/12/86/606311286.db2.gz JSPIHRYSQFHECW-JKSUJKDBSA-N -1 3 397.529 3.844 20 0 GHADHM O=C1[C@H](S[C@H]2CCCc3ccccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511970 606311287 /nfs/dbraw/zinc/31/12/87/606311287.db2.gz JSPIHRYSQFHECW-JKSUJKDBSA-N -1 3 397.529 3.844 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Br)cc1 ZINC000820554876 606326551 /nfs/dbraw/zinc/32/65/51/606326551.db2.gz AOJODJHMGPLRGP-SNVBAGLBSA-N -1 3 389.278 3.993 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Br)cc1 ZINC000820554876 606326553 /nfs/dbraw/zinc/32/65/53/606326553.db2.gz AOJODJHMGPLRGP-SNVBAGLBSA-N -1 3 389.278 3.993 20 0 GHADHM CC[C@@H](SCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820939281 606333757 /nfs/dbraw/zinc/33/37/57/606333757.db2.gz SIBIIPNRDGGLAH-QGZVFWFLSA-N -1 3 388.518 3.525 20 0 GHADHM CC[C@@H](SCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820939281 606333758 /nfs/dbraw/zinc/33/37/58/606333758.db2.gz SIBIIPNRDGGLAH-QGZVFWFLSA-N -1 3 388.518 3.525 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339305 606342338 /nfs/dbraw/zinc/34/23/38/606342338.db2.gz BMXJUNFGPQKLKQ-KHYOSLBOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339305 606342340 /nfs/dbraw/zinc/34/23/40/606342340.db2.gz BMXJUNFGPQKLKQ-KHYOSLBOSA-N -1 3 376.464 3.515 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819844297 606345207 /nfs/dbraw/zinc/34/52/07/606345207.db2.gz BIEFRQZBLTXQNW-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819844297 606345208 /nfs/dbraw/zinc/34/52/08/606345208.db2.gz BIEFRQZBLTXQNW-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519293 606352976 /nfs/dbraw/zinc/35/29/76/606352976.db2.gz QWNHGLZZLIVVJV-SNVBAGLBSA-N -1 3 383.458 3.970 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519293 606352977 /nfs/dbraw/zinc/35/29/77/606352977.db2.gz QWNHGLZZLIVVJV-SNVBAGLBSA-N -1 3 383.458 3.970 20 0 GHADHM COc1ccc(C2(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC000821783149 606353745 /nfs/dbraw/zinc/35/37/45/606353745.db2.gz XPHROIZKFJLHLF-AWEZNQCLSA-N -1 3 378.432 3.601 20 0 GHADHM COc1ccc(C2(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC000821783149 606353747 /nfs/dbraw/zinc/35/37/47/606353747.db2.gz XPHROIZKFJLHLF-AWEZNQCLSA-N -1 3 378.432 3.601 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822424198 606360605 /nfs/dbraw/zinc/36/06/05/606360605.db2.gz SXUOAJSBQBYHGG-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822424198 606360606 /nfs/dbraw/zinc/36/06/06/606360606.db2.gz SXUOAJSBQBYHGG-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM CC(C)n1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000820215178 606360690 /nfs/dbraw/zinc/36/06/90/606360690.db2.gz ULGDFDZOIOCZNM-UHFFFAOYSA-N -1 3 390.403 3.656 20 0 GHADHM O=C(C=Cc1cccnc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822934940 606361735 /nfs/dbraw/zinc/36/17/35/606361735.db2.gz FFBQHFCDESKIPG-KGVSQERTSA-N -1 3 385.383 3.673 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820937639 606362480 /nfs/dbraw/zinc/36/24/80/606362480.db2.gz AVDXKOJAHJSTPW-BLLLJJGKSA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820937639 606362482 /nfs/dbraw/zinc/36/24/82/606362482.db2.gz AVDXKOJAHJSTPW-BLLLJJGKSA-N -1 3 385.855 3.555 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N[C@@H]1CCCSC1 ZINC000823350336 606383188 /nfs/dbraw/zinc/38/31/88/606383188.db2.gz JRCGHSBQZULOIO-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N[C@@H]1CCCSC1 ZINC000823350336 606383190 /nfs/dbraw/zinc/38/31/90/606383190.db2.gz JRCGHSBQZULOIO-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820533584 606412161 /nfs/dbraw/zinc/41/21/61/606412161.db2.gz GMRAVZYVBPSPOY-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820533584 606412162 /nfs/dbraw/zinc/41/21/62/606412162.db2.gz GMRAVZYVBPSPOY-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM CN(C(=O)COc1ccc2ccccc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570625 606412533 /nfs/dbraw/zinc/41/25/33/606412533.db2.gz DKKFGJOUCPIOQN-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM CN(C(=O)COc1ccc2ccccc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570625 606412534 /nfs/dbraw/zinc/41/25/34/606412534.db2.gz DKKFGJOUCPIOQN-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM Fc1ccc(C2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822766983 606417183 /nfs/dbraw/zinc/41/71/83/606417183.db2.gz RMNWLLUFMROCOJ-UHFFFAOYSA-N -1 3 382.468 3.582 20 0 GHADHM Fc1ccc(C2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822766983 606417185 /nfs/dbraw/zinc/41/71/85/606417185.db2.gz RMNWLLUFMROCOJ-UHFFFAOYSA-N -1 3 382.468 3.582 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000820708985 606438542 /nfs/dbraw/zinc/43/85/42/606438542.db2.gz BCTFYGAAGMAJIL-GFCCVEGCSA-N -1 3 383.839 3.937 20 0 GHADHM Cc1cc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1F ZINC000822191764 606439074 /nfs/dbraw/zinc/43/90/74/606439074.db2.gz PYQVLBYINIMDAE-LBPRGKRZSA-N -1 3 385.447 3.753 20 0 GHADHM Cc1cc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1F ZINC000822191764 606439075 /nfs/dbraw/zinc/43/90/75/606439075.db2.gz PYQVLBYINIMDAE-LBPRGKRZSA-N -1 3 385.447 3.753 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820340918 606441178 /nfs/dbraw/zinc/44/11/78/606441178.db2.gz NSDXYXWFYKSHIU-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820340918 606441179 /nfs/dbraw/zinc/44/11/79/606441179.db2.gz NSDXYXWFYKSHIU-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM Clc1ccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cn1 ZINC000822574202 606446462 /nfs/dbraw/zinc/44/64/62/606446462.db2.gz PZQJVUNNMGBZIX-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822167377 606450465 /nfs/dbraw/zinc/45/04/65/606450465.db2.gz DLWSKRINPHTCNU-MRXNPFEDSA-N -1 3 390.491 3.802 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822167377 606450466 /nfs/dbraw/zinc/45/04/66/606450466.db2.gz DLWSKRINPHTCNU-MRXNPFEDSA-N -1 3 390.491 3.802 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823413468 606467355 /nfs/dbraw/zinc/46/73/55/606467355.db2.gz ICEPNOZUDRHMJJ-UHFFFAOYSA-N -1 3 386.767 3.540 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823413468 606467357 /nfs/dbraw/zinc/46/73/57/606467357.db2.gz ICEPNOZUDRHMJJ-UHFFFAOYSA-N -1 3 386.767 3.540 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823359394 606480708 /nfs/dbraw/zinc/48/07/08/606480708.db2.gz NIXXWSIXCCZDPP-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823359394 606480710 /nfs/dbraw/zinc/48/07/10/606480710.db2.gz NIXXWSIXCCZDPP-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cc(F)c(Cl)cc1Cl ZINC000820392590 606481266 /nfs/dbraw/zinc/48/12/66/606481266.db2.gz WOQHPWHCDKNSAA-ZCFIWIBFSA-N -1 3 386.239 3.865 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cc(F)c(Cl)cc1Cl ZINC000820392590 606481268 /nfs/dbraw/zinc/48/12/68/606481268.db2.gz WOQHPWHCDKNSAA-ZCFIWIBFSA-N -1 3 386.239 3.865 20 0 GHADHM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140362 606485982 /nfs/dbraw/zinc/48/59/82/606485982.db2.gz TZACNTIOVPDAFX-HNNXBMFYSA-N -1 3 385.449 3.648 20 0 GHADHM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140362 606485983 /nfs/dbraw/zinc/48/59/83/606485983.db2.gz TZACNTIOVPDAFX-HNNXBMFYSA-N -1 3 385.449 3.648 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1c1nccs1 ZINC000822732550 606487608 /nfs/dbraw/zinc/48/76/08/606487608.db2.gz JSZLYUNNYKEVGN-ZDUSSCGKSA-N -1 3 392.435 3.652 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1nccs1 ZINC000822732550 606487610 /nfs/dbraw/zinc/48/76/10/606487610.db2.gz JSZLYUNNYKEVGN-ZDUSSCGKSA-N -1 3 392.435 3.652 20 0 GHADHM CC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000175884558 606490054 /nfs/dbraw/zinc/49/00/54/606490054.db2.gz GONNRWJOYMKDAC-INIZCTEOSA-N -1 3 389.381 3.696 20 0 GHADHM CC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000175884558 606490056 /nfs/dbraw/zinc/49/00/56/606490056.db2.gz GONNRWJOYMKDAC-INIZCTEOSA-N -1 3 389.381 3.696 20 0 GHADHM Cc1cccc(Oc2ncccc2NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000822333047 606496286 /nfs/dbraw/zinc/49/62/86/606496286.db2.gz VFAHQHJMNFMVHN-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1cccc(Oc2ncccc2NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000822333047 606496287 /nfs/dbraw/zinc/49/62/87/606496287.db2.gz VFAHQHJMNFMVHN-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)c2ccc(F)cc2)o1 ZINC000822236118 606511071 /nfs/dbraw/zinc/51/10/71/606511071.db2.gz KPHLUZFTYRKIOH-UHFFFAOYSA-N -1 3 383.408 3.816 20 0 GHADHM Cc1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccc(F)cc2)o1 ZINC000822236118 606511074 /nfs/dbraw/zinc/51/10/74/606511074.db2.gz KPHLUZFTYRKIOH-UHFFFAOYSA-N -1 3 383.408 3.816 20 0 GHADHM CN(Cc1cc2ccccc2o1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821608700 606511276 /nfs/dbraw/zinc/51/12/76/606511276.db2.gz QVUJLWJTTNVYNR-UHFFFAOYSA-N -1 3 385.374 3.846 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000822193943 606511612 /nfs/dbraw/zinc/51/16/12/606511612.db2.gz AWBSUZVTVPKUQV-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000820334007 606515978 /nfs/dbraw/zinc/51/59/78/606515978.db2.gz IVKBRKCGWPKLPX-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)ccc(F)c1Cl ZINC000820334007 606515979 /nfs/dbraw/zinc/51/59/79/606515979.db2.gz IVKBRKCGWPKLPX-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000823092835 606533392 /nfs/dbraw/zinc/53/33/92/606533392.db2.gz MKXITQRULLKRHH-UHFFFAOYSA-N -1 3 395.894 3.691 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000823092835 606533394 /nfs/dbraw/zinc/53/33/94/606533394.db2.gz MKXITQRULLKRHH-UHFFFAOYSA-N -1 3 395.894 3.691 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820183452 606550235 /nfs/dbraw/zinc/55/02/35/606550235.db2.gz CQVRIYCGHYZPLZ-CQSZACIVSA-N -1 3 381.505 3.787 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820183452 606550236 /nfs/dbraw/zinc/55/02/36/606550236.db2.gz CQVRIYCGHYZPLZ-CQSZACIVSA-N -1 3 381.505 3.787 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000820334553 606566079 /nfs/dbraw/zinc/56/60/79/606566079.db2.gz NORYJZSUBXLPPE-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000820334553 606566080 /nfs/dbraw/zinc/56/60/80/606566080.db2.gz NORYJZSUBXLPPE-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000820334554 606566364 /nfs/dbraw/zinc/56/63/64/606566364.db2.gz NORYJZSUBXLPPE-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000820334554 606566365 /nfs/dbraw/zinc/56/63/65/606566365.db2.gz NORYJZSUBXLPPE-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM CCC(C)(CC)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820853918 606572773 /nfs/dbraw/zinc/57/27/73/606572773.db2.gz PUHURNIJMCFVQT-UHFFFAOYSA-N -1 3 381.440 3.754 20 0 GHADHM CCC(C)(CC)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820853918 606572775 /nfs/dbraw/zinc/57/27/75/606572775.db2.gz PUHURNIJMCFVQT-UHFFFAOYSA-N -1 3 381.440 3.754 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC000822351207 606573514 /nfs/dbraw/zinc/57/35/14/606573514.db2.gz LRHRBKZRYNNFNY-UHFFFAOYSA-N -1 3 387.487 3.655 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC000822351207 606573516 /nfs/dbraw/zinc/57/35/16/606573516.db2.gz LRHRBKZRYNNFNY-UHFFFAOYSA-N -1 3 387.487 3.655 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820380264 606579042 /nfs/dbraw/zinc/57/90/42/606579042.db2.gz ORXQYXBBLZYEHE-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820380264 606579044 /nfs/dbraw/zinc/57/90/44/606579044.db2.gz ORXQYXBBLZYEHE-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM CCC(C)(C)OCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1C ZINC000820847768 606589540 /nfs/dbraw/zinc/58/95/40/606589540.db2.gz KYPCLCCCPZNJBK-UHFFFAOYSA-N -1 3 380.452 3.528 20 0 GHADHM CCC(C)(C)OCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000820847768 606589542 /nfs/dbraw/zinc/58/95/42/606589542.db2.gz KYPCLCCCPZNJBK-UHFFFAOYSA-N -1 3 380.452 3.528 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1noc2c1CCCC2 ZINC000822732544 606598784 /nfs/dbraw/zinc/59/87/84/606598784.db2.gz JMWKVOVBWMVPID-UHFFFAOYSA-N -1 3 393.419 3.768 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1noc2c1CCCC2 ZINC000822732544 606598785 /nfs/dbraw/zinc/59/87/85/606598785.db2.gz JMWKVOVBWMVPID-UHFFFAOYSA-N -1 3 393.419 3.768 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000821099819 606602391 /nfs/dbraw/zinc/60/23/91/606602391.db2.gz OQSDBFLQJSZFAZ-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000821099819 606602393 /nfs/dbraw/zinc/60/23/93/606602393.db2.gz OQSDBFLQJSZFAZ-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM Clc1ccc(SCc2nc(-c3ccsc3)no2)c(-c2nnn[n-]2)c1 ZINC000822578088 606629266 /nfs/dbraw/zinc/62/92/66/606629266.db2.gz CRGAKHLLRLMTHM-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1ccc(SCc2nc(-c3ccsc3)no2)c(-c2nn[n-]n2)c1 ZINC000822578088 606629268 /nfs/dbraw/zinc/62/92/68/606629268.db2.gz CRGAKHLLRLMTHM-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820373517 606630349 /nfs/dbraw/zinc/63/03/49/606630349.db2.gz JBGVOIRWVMNUJX-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000820373517 606630350 /nfs/dbraw/zinc/63/03/50/606630350.db2.gz JBGVOIRWVMNUJX-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM C[C@@H](c1ccco1)N(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000820570343 606655613 /nfs/dbraw/zinc/65/56/13/606655613.db2.gz HTBDUHHUHZZNIT-LBPRGKRZSA-N -1 3 383.456 3.774 20 0 GHADHM C[C@@H](c1ccco1)N(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000820570343 606655614 /nfs/dbraw/zinc/65/56/14/606655614.db2.gz HTBDUHHUHZZNIT-LBPRGKRZSA-N -1 3 383.456 3.774 20 0 GHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821613520 606662276 /nfs/dbraw/zinc/66/22/76/606662276.db2.gz QRBCDXAZVLDMQB-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821613520 606662277 /nfs/dbraw/zinc/66/22/77/606662277.db2.gz QRBCDXAZVLDMQB-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(F)c3F)c2-c2nnn[n-]2)C1 ZINC000820726933 606664031 /nfs/dbraw/zinc/66/40/31/606664031.db2.gz DICDVOQQYODHDH-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(F)c3F)c2-c2nn[n-]n2)C1 ZINC000820726933 606664032 /nfs/dbraw/zinc/66/40/32/606664032.db2.gz DICDVOQQYODHDH-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM O=C(Nc1ccc(-c2nccs2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299390 606664153 /nfs/dbraw/zinc/66/41/53/606664153.db2.gz VHBAMSOMLRWUJO-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(-c2nccs2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299390 606664154 /nfs/dbraw/zinc/66/41/54/606664154.db2.gz VHBAMSOMLRWUJO-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823387505 606665139 /nfs/dbraw/zinc/66/51/39/606665139.db2.gz NDSJOOXUYSKGCK-HIFRSBDPSA-N -1 3 379.489 3.624 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823387505 606665140 /nfs/dbraw/zinc/66/51/40/606665140.db2.gz NDSJOOXUYSKGCK-HIFRSBDPSA-N -1 3 379.489 3.624 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCC(C(C)(C)C)CC1 ZINC000821572289 606669455 /nfs/dbraw/zinc/66/94/55/606669455.db2.gz YTBUUHLGFQSBDH-UHFFFAOYSA-N -1 3 377.439 3.822 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCC(C(C)(C)C)CC1 ZINC000821572289 606669456 /nfs/dbraw/zinc/66/94/56/606669456.db2.gz YTBUUHLGFQSBDH-UHFFFAOYSA-N -1 3 377.439 3.822 20 0 GHADHM CCc1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000821483150 606669511 /nfs/dbraw/zinc/66/95/11/606669511.db2.gz YXLVDXNYQQTINF-UHFFFAOYSA-N -1 3 383.402 3.512 20 0 GHADHM CCc1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000821483150 606669512 /nfs/dbraw/zinc/66/95/12/606669512.db2.gz YXLVDXNYQQTINF-UHFFFAOYSA-N -1 3 383.402 3.512 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCc2c(Cl)ccc(F)c21 ZINC000823453932 606678777 /nfs/dbraw/zinc/67/87/77/606678777.db2.gz FSZJISQCIKRUET-UHFFFAOYSA-N -1 3 393.756 3.530 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCc2c(Cl)ccc(F)c21 ZINC000823453932 606678778 /nfs/dbraw/zinc/67/87/78/606678778.db2.gz FSZJISQCIKRUET-UHFFFAOYSA-N -1 3 393.756 3.530 20 0 GHADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC(F)F)cc1 ZINC000820502236 606679740 /nfs/dbraw/zinc/67/97/40/606679740.db2.gz ONQFYRXPMDOBQH-MRVPVSSYSA-N -1 3 396.300 3.664 20 0 GHADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)cc1 ZINC000820502236 606679741 /nfs/dbraw/zinc/67/97/41/606679741.db2.gz ONQFYRXPMDOBQH-MRVPVSSYSA-N -1 3 396.300 3.664 20 0 GHADHM CC[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820987684 606684228 /nfs/dbraw/zinc/68/42/28/606684228.db2.gz ATRDYEZZQSRNPJ-BBRMVZONSA-N -1 3 397.429 3.801 20 0 GHADHM CC[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820987684 606684229 /nfs/dbraw/zinc/68/42/29/606684229.db2.gz ATRDYEZZQSRNPJ-BBRMVZONSA-N -1 3 397.429 3.801 20 0 GHADHM CSCc1cc(F)ccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821971013 606725290 /nfs/dbraw/zinc/72/52/90/606725290.db2.gz VSHLPCJFNRJTEI-UHFFFAOYSA-N -1 3 398.389 3.895 20 0 GHADHM CSCc1cc(F)ccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821971013 606725292 /nfs/dbraw/zinc/72/52/92/606725292.db2.gz VSHLPCJFNRJTEI-UHFFFAOYSA-N -1 3 398.389 3.895 20 0 GHADHM Clc1cccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000822586452 606743124 /nfs/dbraw/zinc/74/31/24/606743124.db2.gz ZDACEBJOVLYGGC-IBGZPJMESA-N -1 3 376.851 3.794 20 0 GHADHM O=C(OCc1ccccc1C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823429822 606747128 /nfs/dbraw/zinc/74/71/28/606747128.db2.gz DDPYOXAHEGMTHI-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccccc1C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823429822 606747130 /nfs/dbraw/zinc/74/71/30/606747130.db2.gz DDPYOXAHEGMTHI-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM CC(C)CC1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820067451 606753398 /nfs/dbraw/zinc/75/33/98/606753398.db2.gz IPUQFQQEXQUAGG-UHFFFAOYSA-N -1 3 385.512 3.701 20 0 GHADHM CC(C)CC1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820067451 606753399 /nfs/dbraw/zinc/75/33/99/606753399.db2.gz IPUQFQQEXQUAGG-UHFFFAOYSA-N -1 3 385.512 3.701 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1C(F)(F)F ZINC000822104560 606771937 /nfs/dbraw/zinc/77/19/37/606771937.db2.gz OZMHKUCRUAQTLD-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822104560 606771939 /nfs/dbraw/zinc/77/19/39/606771939.db2.gz OZMHKUCRUAQTLD-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000823367982 606772914 /nfs/dbraw/zinc/77/29/14/606772914.db2.gz PQPHHQLRWYGBBM-KSSFIOAISA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000823367982 606772915 /nfs/dbraw/zinc/77/29/15/606772915.db2.gz PQPHHQLRWYGBBM-KSSFIOAISA-N -1 3 376.420 3.675 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822289151 606781018 /nfs/dbraw/zinc/78/10/18/606781018.db2.gz SMZXWORSRZJLIV-UHFFFAOYSA-N -1 3 385.855 3.969 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822289151 606781019 /nfs/dbraw/zinc/78/10/19/606781019.db2.gz SMZXWORSRZJLIV-UHFFFAOYSA-N -1 3 385.855 3.969 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1)C1CCC1 ZINC000821160767 606792511 /nfs/dbraw/zinc/79/25/11/606792511.db2.gz PVUKIFWUUTYZPJ-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1)C1CCC1 ZINC000821160767 606792513 /nfs/dbraw/zinc/79/25/13/606792513.db2.gz PVUKIFWUUTYZPJ-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(=Cc2ccccc2F)CC1 ZINC000822929343 606812708 /nfs/dbraw/zinc/81/27/08/606812708.db2.gz SOPCBZBQSHZEOU-KTKRTIGZSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(=Cc2ccccc2F)CC1 ZINC000822929343 606812710 /nfs/dbraw/zinc/81/27/10/606812710.db2.gz SOPCBZBQSHZEOU-KTKRTIGZSA-N -1 3 389.434 3.725 20 0 GHADHM Clc1cccc([C@H](NCc2ccccc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000822585735 606814350 /nfs/dbraw/zinc/81/43/50/606814350.db2.gz MFGDNJLSKAFPGQ-IBGZPJMESA-N -1 3 376.851 3.794 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822761195 606814407 /nfs/dbraw/zinc/81/44/07/606814407.db2.gz BOQSSABQFSMCJL-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822761195 606814408 /nfs/dbraw/zinc/81/44/08/606814408.db2.gz BOQSSABQFSMCJL-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM O[C@H](CSc1nccn1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699320 606848142 /nfs/dbraw/zinc/84/81/42/606848142.db2.gz UOTLDDCUWOZENP-MRXNPFEDSA-N -1 3 398.879 3.532 20 0 GHADHM O[C@H](CSc1nccn1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699320 606848144 /nfs/dbraw/zinc/84/81/44/606848144.db2.gz UOTLDDCUWOZENP-MRXNPFEDSA-N -1 3 398.879 3.532 20 0 GHADHM O=S(=O)(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccs1 ZINC000823567076 606850941 /nfs/dbraw/zinc/85/09/41/606850941.db2.gz ORSNQQFFBYQJIN-UHFFFAOYSA-N -1 3 382.470 3.569 20 0 GHADHM O=S(=O)(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccs1 ZINC000823567076 606850942 /nfs/dbraw/zinc/85/09/42/606850942.db2.gz ORSNQQFFBYQJIN-UHFFFAOYSA-N -1 3 382.470 3.569 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NCCC1=CCCCC1 ZINC000823066091 606852240 /nfs/dbraw/zinc/85/22/40/606852240.db2.gz LMMBSZJUBYGLIO-UHFFFAOYSA-N -1 3 377.901 3.619 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NCCC1=CCCCC1 ZINC000823066091 606852241 /nfs/dbraw/zinc/85/22/41/606852241.db2.gz LMMBSZJUBYGLIO-UHFFFAOYSA-N -1 3 377.901 3.619 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000820549129 606852954 /nfs/dbraw/zinc/85/29/54/606852954.db2.gz KPPWDTAWUJDNSJ-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000820549129 606852955 /nfs/dbraw/zinc/85/29/55/606852955.db2.gz KPPWDTAWUJDNSJ-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM Cc1nccc(-c2cccc(NCCCOc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822471774 606864616 /nfs/dbraw/zinc/86/46/16/606864616.db2.gz JSLPPAPAIDBKHH-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM Cc1nccc(-c2cccc(NCCCOc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822471774 606864617 /nfs/dbraw/zinc/86/46/17/606864617.db2.gz JSLPPAPAIDBKHH-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM FC(F)(F)Cc1ccc(NCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822718707 606865446 /nfs/dbraw/zinc/86/54/46/606865446.db2.gz PGGIBIYTLOFMQS-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM FC(F)(F)Cc1ccc(NCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822718707 606865448 /nfs/dbraw/zinc/86/54/48/606865448.db2.gz PGGIBIYTLOFMQS-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM Cn1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)c1 ZINC000822684721 606870303 /nfs/dbraw/zinc/87/03/03/606870303.db2.gz FZOSHVDJNMJXHE-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cn1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)c1 ZINC000822684721 606870305 /nfs/dbraw/zinc/87/03/05/606870305.db2.gz FZOSHVDJNMJXHE-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000822217593 606906793 /nfs/dbraw/zinc/90/67/93/606906793.db2.gz IQELIYITARSOOA-QGZVFWFLSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000822217593 606906794 /nfs/dbraw/zinc/90/67/94/606906794.db2.gz IQELIYITARSOOA-QGZVFWFLSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)CO2 ZINC000822274725 606936768 /nfs/dbraw/zinc/93/67/68/606936768.db2.gz HDBHUAVMQTYIJP-HXUWFJFHSA-N -1 3 397.438 3.706 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)CO2 ZINC000822274725 606936769 /nfs/dbraw/zinc/93/67/69/606936769.db2.gz HDBHUAVMQTYIJP-HXUWFJFHSA-N -1 3 397.438 3.706 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821890034 606937421 /nfs/dbraw/zinc/93/74/21/606937421.db2.gz JEDZXGWNTJBOKL-GFCCVEGCSA-N -1 3 389.381 3.888 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821890034 606937423 /nfs/dbraw/zinc/93/74/23/606937423.db2.gz JEDZXGWNTJBOKL-GFCCVEGCSA-N -1 3 389.381 3.888 20 0 GHADHM CC[C@]1(C)CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820950298 606950429 /nfs/dbraw/zinc/95/04/29/606950429.db2.gz LXXARUPDEULZSF-LJQANCHMSA-N -1 3 397.508 3.568 20 0 GHADHM CC[C@]1(C)CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820950298 606950430 /nfs/dbraw/zinc/95/04/30/606950430.db2.gz LXXARUPDEULZSF-LJQANCHMSA-N -1 3 397.508 3.568 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349371 606952916 /nfs/dbraw/zinc/95/29/16/606952916.db2.gz HTFFNZKOXPWJFM-RYUDHWBXSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349371 606952918 /nfs/dbraw/zinc/95/29/18/606952918.db2.gz HTFFNZKOXPWJFM-RYUDHWBXSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@]1(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCCS1 ZINC000820618683 606954521 /nfs/dbraw/zinc/95/45/21/606954521.db2.gz LUNPKNWLNNUDEV-FQEVSTJZSA-N -1 3 394.504 3.626 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822214254 606961963 /nfs/dbraw/zinc/96/19/63/606961963.db2.gz WPBIUZYVDCRJCS-OAHLLOKOSA-N -1 3 389.463 3.727 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822214254 606961964 /nfs/dbraw/zinc/96/19/64/606961964.db2.gz WPBIUZYVDCRJCS-OAHLLOKOSA-N -1 3 389.463 3.727 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000822231849 606976978 /nfs/dbraw/zinc/97/69/78/606976978.db2.gz JLGHUYVELFCXRH-QRWLVFNGSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)[C@H](C)CO2)c1 ZINC000822231849 606976979 /nfs/dbraw/zinc/97/69/79/606976979.db2.gz JLGHUYVELFCXRH-QRWLVFNGSA-N -1 3 381.455 3.585 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820004743 606989589 /nfs/dbraw/zinc/98/95/89/606989589.db2.gz AFZZOOJFCGWJQJ-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820004743 606989590 /nfs/dbraw/zinc/98/95/90/606989590.db2.gz AFZZOOJFCGWJQJ-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM Fc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000822774304 607007642 /nfs/dbraw/zinc/00/76/42/607007642.db2.gz JONXDOWASBSEKZ-UHFFFAOYSA-N -1 3 385.453 3.893 20 0 GHADHM Fc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1-c1nn[n-]n1 ZINC000822774304 607007643 /nfs/dbraw/zinc/00/76/43/607007643.db2.gz JONXDOWASBSEKZ-UHFFFAOYSA-N -1 3 385.453 3.893 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314818 607009723 /nfs/dbraw/zinc/00/97/23/607009723.db2.gz KHGGRDJPPVZBJK-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314818 607009724 /nfs/dbraw/zinc/00/97/24/607009724.db2.gz KHGGRDJPPVZBJK-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CCn1c(SCc2cc(-c3nnn[n-]3)ccc2F)nnc1-c1ccc(F)cc1 ZINC000821565025 607015760 /nfs/dbraw/zinc/01/57/60/607015760.db2.gz ACZFYZYKCYRCER-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCn1c(SCc2cc(-c3nn[n-]n3)ccc2F)nnc1-c1ccc(F)cc1 ZINC000821565025 607015763 /nfs/dbraw/zinc/01/57/63/607015763.db2.gz ACZFYZYKCYRCER-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM O=c1nc(CSc2cccc(-c3nnn[n-]3)c2)[nH]c2sc3c(c21)CCCC3 ZINC000823656466 607017527 /nfs/dbraw/zinc/01/75/27/607017527.db2.gz DSKBKFLSBDLIFX-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM O=c1nc(CSc2cccc(-c3nn[n-]n3)c2)[nH]c2sc3c(c21)CCCC3 ZINC000823656466 607017529 /nfs/dbraw/zinc/01/75/29/607017529.db2.gz DSKBKFLSBDLIFX-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(OC(C)(C)C)CC3)c2c1 ZINC000822195082 607044734 /nfs/dbraw/zinc/04/47/34/607044734.db2.gz GRAMTUPGEGLDNZ-UHFFFAOYSA-N -1 3 380.496 3.816 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(OC(C)(C)C)CC3)c2c1 ZINC000822195082 607044737 /nfs/dbraw/zinc/04/47/37/607044737.db2.gz GRAMTUPGEGLDNZ-UHFFFAOYSA-N -1 3 380.496 3.816 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N(C1CC1)C1CCCCC1 ZINC000823299113 607069058 /nfs/dbraw/zinc/06/90/58/607069058.db2.gz IEDPSFAIIRUMQE-UHFFFAOYSA-N -1 3 392.410 3.797 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N(C1CC1)C1CCCCC1 ZINC000823299113 607069060 /nfs/dbraw/zinc/06/90/60/607069060.db2.gz IEDPSFAIIRUMQE-UHFFFAOYSA-N -1 3 392.410 3.797 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1Oc1ccccn1 ZINC000823418211 607084792 /nfs/dbraw/zinc/08/47/92/607084792.db2.gz NQHFBZYKDPOEEE-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1Oc1ccccn1 ZINC000823418211 607084794 /nfs/dbraw/zinc/08/47/94/607084794.db2.gz NQHFBZYKDPOEEE-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913166 607087468 /nfs/dbraw/zinc/08/74/68/607087468.db2.gz DCSAOYSWYZTNPF-FQEVSTJZSA-N -1 3 377.492 3.669 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913166 607087469 /nfs/dbraw/zinc/08/74/69/607087469.db2.gz DCSAOYSWYZTNPF-FQEVSTJZSA-N -1 3 377.492 3.669 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821293229 607101604 /nfs/dbraw/zinc/10/16/04/607101604.db2.gz IPIGXIHIMJAHMI-CLFYSBASSA-N -1 3 397.508 3.704 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 ZINC000820770180 607115781 /nfs/dbraw/zinc/11/57/81/607115781.db2.gz ZGMGLLBXGQJFAO-MEBBXXQBSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 ZINC000820770180 607115782 /nfs/dbraw/zinc/11/57/82/607115782.db2.gz ZGMGLLBXGQJFAO-MEBBXXQBSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H](c1cccc(Br)c1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562654 607120873 /nfs/dbraw/zinc/12/08/73/607120873.db2.gz IDCQSEFQUPVLRX-QVQLBTGDSA-N -1 3 391.294 3.639 20 0 GHADHM C[C@H](c1cccc(Br)c1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562654 607120874 /nfs/dbraw/zinc/12/08/74/607120874.db2.gz IDCQSEFQUPVLRX-QVQLBTGDSA-N -1 3 391.294 3.639 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1CC12CCC2 ZINC000822211854 607125664 /nfs/dbraw/zinc/12/56/64/607125664.db2.gz QKPJWHACMHQIOE-SFHVURJKSA-N -1 3 389.459 3.883 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1CC12CCC2 ZINC000822211854 607125666 /nfs/dbraw/zinc/12/56/66/607125666.db2.gz QKPJWHACMHQIOE-SFHVURJKSA-N -1 3 389.459 3.883 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820549561 607150183 /nfs/dbraw/zinc/15/01/83/607150183.db2.gz OYNWVFOGNDEKKM-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820549561 607150184 /nfs/dbraw/zinc/15/01/84/607150184.db2.gz OYNWVFOGNDEKKM-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823246516 607153798 /nfs/dbraw/zinc/15/37/98/607153798.db2.gz SIIHJOWMIYPRAH-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823246516 607153800 /nfs/dbraw/zinc/15/38/00/607153800.db2.gz SIIHJOWMIYPRAH-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM CCO[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)C(C)C ZINC000821350983 607155009 /nfs/dbraw/zinc/15/50/09/607155009.db2.gz IGAJJLJCIWOOSM-HXUWFJFHSA-N -1 3 393.491 3.851 20 0 GHADHM CCO[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)C(C)C ZINC000821350983 607155011 /nfs/dbraw/zinc/15/50/11/607155011.db2.gz IGAJJLJCIWOOSM-HXUWFJFHSA-N -1 3 393.491 3.851 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1F ZINC000822284069 607156002 /nfs/dbraw/zinc/15/60/02/607156002.db2.gz INLNLJRUWDOPIX-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)cc1Cl ZINC000821123788 607156324 /nfs/dbraw/zinc/15/63/24/607156324.db2.gz YRRPEUHPSHWGML-UHFFFAOYSA-N -1 3 388.834 3.662 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Br)ccc1F ZINC000823318592 607190386 /nfs/dbraw/zinc/19/03/86/607190386.db2.gz FLLAZQNSYDLPFL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Br)ccc1F ZINC000823318592 607190387 /nfs/dbraw/zinc/19/03/87/607190387.db2.gz FLLAZQNSYDLPFL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820633888 607196314 /nfs/dbraw/zinc/19/63/14/607196314.db2.gz FGHDNNZUJDUFPK-UHFFFAOYSA-N -1 3 382.855 3.762 20 0 GHADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820633888 607196315 /nfs/dbraw/zinc/19/63/15/607196315.db2.gz FGHDNNZUJDUFPK-UHFFFAOYSA-N -1 3 382.855 3.762 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822299846 607198440 /nfs/dbraw/zinc/19/84/40/607198440.db2.gz WRQJYAPWDJUCQO-INIZCTEOSA-N -1 3 383.843 3.593 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822299846 607198441 /nfs/dbraw/zinc/19/84/41/607198441.db2.gz WRQJYAPWDJUCQO-INIZCTEOSA-N -1 3 383.843 3.593 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821608568 607201715 /nfs/dbraw/zinc/20/17/15/607201715.db2.gz MNPXSHRTJMDOTA-UHFFFAOYSA-N -1 3 382.811 3.930 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821608568 607201716 /nfs/dbraw/zinc/20/17/16/607201716.db2.gz MNPXSHRTJMDOTA-UHFFFAOYSA-N -1 3 382.811 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H](Oc2ccccc2)C1 ZINC000823315248 607202966 /nfs/dbraw/zinc/20/29/66/607202966.db2.gz WVVJYMYCRVZTFH-HNNXBMFYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H](Oc2ccccc2)C1 ZINC000823315248 607202967 /nfs/dbraw/zinc/20/29/67/607202967.db2.gz WVVJYMYCRVZTFH-HNNXBMFYSA-N -1 3 398.854 3.595 20 0 GHADHM CSc1ccc(F)cc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821983980 607203790 /nfs/dbraw/zinc/20/37/90/607203790.db2.gz LCYXWLYWVKSCNA-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CSc1ccc(F)cc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821983980 607203791 /nfs/dbraw/zinc/20/37/91/607203791.db2.gz LCYXWLYWVKSCNA-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000820404133 607231188 /nfs/dbraw/zinc/23/11/88/607231188.db2.gz POQUSGVSWWVLBG-ZETCQYMHSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000820404133 607231189 /nfs/dbraw/zinc/23/11/89/607231189.db2.gz POQUSGVSWWVLBG-ZETCQYMHSA-N -1 3 397.653 3.713 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)cc(C(F)(F)F)c1 ZINC000823318775 607241886 /nfs/dbraw/zinc/24/18/86/607241886.db2.gz JTBAEWSCSZBCQF-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)cc(C(F)(F)F)c1 ZINC000823318775 607241887 /nfs/dbraw/zinc/24/18/87/607241887.db2.gz JTBAEWSCSZBCQF-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(C=Cc1ccc(Br)o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822930169 607243022 /nfs/dbraw/zinc/24/30/22/607243022.db2.gz YLGBXRIGRMEEOM-UTCJRWHESA-N -1 3 394.616 3.528 20 0 GHADHM O=C(C=Cc1ccc(Br)o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822930169 607243023 /nfs/dbraw/zinc/24/30/23/607243023.db2.gz YLGBXRIGRMEEOM-UTCJRWHESA-N -1 3 394.616 3.528 20 0 GHADHM CCSc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000825674897 607783052 /nfs/dbraw/zinc/78/30/52/607783052.db2.gz UKIDILNHBNSLEV-UHFFFAOYSA-N -1 3 385.518 3.710 20 0 GHADHM CCSc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000825674897 607783053 /nfs/dbraw/zinc/78/30/53/607783053.db2.gz UKIDILNHBNSLEV-UHFFFAOYSA-N -1 3 385.518 3.710 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829414 607785791 /nfs/dbraw/zinc/78/57/91/607785791.db2.gz FCAHSJWSZAUVCQ-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829414 607785792 /nfs/dbraw/zinc/78/57/92/607785792.db2.gz FCAHSJWSZAUVCQ-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cs1 ZINC000826305511 607788421 /nfs/dbraw/zinc/78/84/21/607788421.db2.gz ZKZNHWIUYCWHMO-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cs1 ZINC000826305511 607788422 /nfs/dbraw/zinc/78/84/22/607788422.db2.gz ZKZNHWIUYCWHMO-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM O=C(NCCC1=CCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826435895 607794983 /nfs/dbraw/zinc/79/49/83/607794983.db2.gz AUJFIOIOFMCNJK-UHFFFAOYSA-N -1 3 389.459 3.676 20 0 GHADHM CCN(C(=O)C[C@@H]1CCCc2cc(OC)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366848 607796403 /nfs/dbraw/zinc/79/64/03/607796403.db2.gz GYRCKIWAQZFHSA-KRWDZBQOSA-N -1 3 391.475 3.738 20 0 GHADHM CCN(C(=O)C[C@@H]1CCCc2cc(OC)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366848 607796404 /nfs/dbraw/zinc/79/64/04/607796404.db2.gz GYRCKIWAQZFHSA-KRWDZBQOSA-N -1 3 391.475 3.738 20 0 GHADHM CCN(C(=O)c1sc(C2CCCC2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390283 607796964 /nfs/dbraw/zinc/79/69/64/607796964.db2.gz CEUPBWQSAHYJAX-UHFFFAOYSA-N -1 3 382.493 3.956 20 0 GHADHM CCN(C(=O)c1sc(C2CCCC2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390283 607796965 /nfs/dbraw/zinc/79/69/65/607796965.db2.gz CEUPBWQSAHYJAX-UHFFFAOYSA-N -1 3 382.493 3.956 20 0 GHADHM CC1(c2ccccc2)CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000824843231 607807114 /nfs/dbraw/zinc/80/71/14/607807114.db2.gz BQMKJOUUXKMDRK-UHFFFAOYSA-N -1 3 378.505 3.617 20 0 GHADHM CC1(c2ccccc2)CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000824843231 607807115 /nfs/dbraw/zinc/80/71/15/607807115.db2.gz BQMKJOUUXKMDRK-UHFFFAOYSA-N -1 3 378.505 3.617 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826264840 607817175 /nfs/dbraw/zinc/81/71/75/607817175.db2.gz BWRJFYAEUHHCRG-UHFFFAOYSA-N -1 3 394.460 3.738 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826264840 607817176 /nfs/dbraw/zinc/81/71/76/607817176.db2.gz BWRJFYAEUHHCRG-UHFFFAOYSA-N -1 3 394.460 3.738 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000824119803 607826817 /nfs/dbraw/zinc/82/68/17/607826817.db2.gz QMYOSDWQNIRASL-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000824119803 607826818 /nfs/dbraw/zinc/82/68/18/607826818.db2.gz QMYOSDWQNIRASL-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824713082 607830386 /nfs/dbraw/zinc/83/03/86/607830386.db2.gz GMCURBBMEYNFES-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824713082 607830387 /nfs/dbraw/zinc/83/03/87/607830387.db2.gz GMCURBBMEYNFES-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](Cc1cccs1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824459040 607834081 /nfs/dbraw/zinc/83/40/81/607834081.db2.gz YMNBXTMURWCIQI-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@H](Cc1cccs1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824459040 607834082 /nfs/dbraw/zinc/83/40/82/607834082.db2.gz YMNBXTMURWCIQI-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1F)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826451420 607834748 /nfs/dbraw/zinc/83/47/48/607834748.db2.gz GMXNRADENQANEZ-UHFFFAOYSA-N -1 3 388.136 3.843 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1F)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826451420 607834749 /nfs/dbraw/zinc/83/47/49/607834749.db2.gz GMXNRADENQANEZ-UHFFFAOYSA-N -1 3 388.136 3.843 20 0 GHADHM O[C@@H](COc1ccccc1Cl)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504975 607843279 /nfs/dbraw/zinc/84/32/79/607843279.db2.gz JHRDOCFWLYMMHB-NSHDSACASA-N -1 3 397.287 3.706 20 0 GHADHM O[C@@H](COc1ccccc1Cl)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504975 607843280 /nfs/dbraw/zinc/84/32/80/607843280.db2.gz JHRDOCFWLYMMHB-NSHDSACASA-N -1 3 397.287 3.706 20 0 GHADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000826234769 607857138 /nfs/dbraw/zinc/85/71/38/607857138.db2.gz NCKWHGIBVOUBTR-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cccc1-c1ccccn1 ZINC000826234769 607857139 /nfs/dbraw/zinc/85/71/39/607857139.db2.gz NCKWHGIBVOUBTR-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM O[C@@H](COc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504333 607870181 /nfs/dbraw/zinc/87/01/81/607870181.db2.gz TZGLUPGDTQIUQW-ZDUSSCGKSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@@H](COc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504333 607870182 /nfs/dbraw/zinc/87/01/82/607870182.db2.gz TZGLUPGDTQIUQW-ZDUSSCGKSA-N -1 3 385.638 3.939 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000825608996 607872519 /nfs/dbraw/zinc/87/25/19/607872519.db2.gz HBZXPICSUBNMML-MRXNPFEDSA-N -1 3 388.855 3.648 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000825608996 607872520 /nfs/dbraw/zinc/87/25/20/607872520.db2.gz HBZXPICSUBNMML-MRXNPFEDSA-N -1 3 388.855 3.648 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)Cc1ccccc1C(F)(F)F ZINC000826504074 607878536 /nfs/dbraw/zinc/87/85/36/607878536.db2.gz MQAXSWHYISAOCX-GFCCVEGCSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)Cc1ccccc1C(F)(F)F ZINC000826504074 607878537 /nfs/dbraw/zinc/87/85/37/607878537.db2.gz MQAXSWHYISAOCX-GFCCVEGCSA-N -1 3 398.772 3.521 20 0 GHADHM CCN(C(=O)CCO[C@H](C)CC(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371441 607878781 /nfs/dbraw/zinc/87/87/81/607878781.db2.gz GNNCRIQURQIZRY-CYBMUJFWSA-N -1 3 379.892 3.714 20 0 GHADHM CCN(C(=O)CCO[C@H](C)CC(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371441 607878782 /nfs/dbraw/zinc/87/87/82/607878782.db2.gz GNNCRIQURQIZRY-CYBMUJFWSA-N -1 3 379.892 3.714 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCOCC1 ZINC000824045892 607893658 /nfs/dbraw/zinc/89/36/58/607893658.db2.gz OTTKNRSIXPNEQE-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000824045892 607893659 /nfs/dbraw/zinc/89/36/59/607893659.db2.gz OTTKNRSIXPNEQE-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000825829387 607918116 /nfs/dbraw/zinc/91/81/16/607918116.db2.gz DNDUTEKAAKRYKH-CQSZACIVSA-N -1 3 397.529 3.595 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000825829387 607918117 /nfs/dbraw/zinc/91/81/17/607918117.db2.gz DNDUTEKAAKRYKH-CQSZACIVSA-N -1 3 397.529 3.595 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c2)n1 ZINC000826320504 607948040 /nfs/dbraw/zinc/94/80/40/607948040.db2.gz TVHLUWKNGDCTLG-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c2)n1 ZINC000826320504 607948041 /nfs/dbraw/zinc/94/80/41/607948041.db2.gz TVHLUWKNGDCTLG-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337085 607965872 /nfs/dbraw/zinc/96/58/72/607965872.db2.gz BCTVXRKHRXZIFB-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337085 607965873 /nfs/dbraw/zinc/96/58/73/607965873.db2.gz BCTVXRKHRXZIFB-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(Cl)c(OC)c(OC)c1 ZINC000825782611 607975376 /nfs/dbraw/zinc/97/53/76/607975376.db2.gz IYKZUFQFIKHMOZ-UHFFFAOYSA-N -1 3 384.827 3.574 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(Cl)c(OC)c(OC)c1 ZINC000825782611 607975377 /nfs/dbraw/zinc/97/53/77/607975377.db2.gz IYKZUFQFIKHMOZ-UHFFFAOYSA-N -1 3 384.827 3.574 20 0 GHADHM CCc1ccccc1NC(=O)[C@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825721945 607983511 /nfs/dbraw/zinc/98/35/11/607983511.db2.gz CAEKJDYNDHEEEA-ZDUSSCGKSA-N -1 3 397.504 3.698 20 0 GHADHM CCc1ccccc1NC(=O)[C@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825721945 607983512 /nfs/dbraw/zinc/98/35/12/607983512.db2.gz CAEKJDYNDHEEEA-ZDUSSCGKSA-N -1 3 397.504 3.698 20 0 GHADHM CCc1cccc(C)c1NC(=O)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825716853 607984154 /nfs/dbraw/zinc/98/41/54/607984154.db2.gz BTPYXJCDRLBCOD-UHFFFAOYSA-N -1 3 397.504 3.618 20 0 GHADHM CCc1cccc(C)c1NC(=O)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825716853 607984155 /nfs/dbraw/zinc/98/41/55/607984155.db2.gz BTPYXJCDRLBCOD-UHFFFAOYSA-N -1 3 397.504 3.618 20 0 GHADHM CC(C)(C)[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824070723 608012099 /nfs/dbraw/zinc/01/20/99/608012099.db2.gz APACUEKVBVZLPF-AWEZNQCLSA-N -1 3 388.415 3.620 20 0 GHADHM CC(C)(C)[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824070723 608012100 /nfs/dbraw/zinc/01/21/00/608012100.db2.gz APACUEKVBVZLPF-AWEZNQCLSA-N -1 3 388.415 3.620 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392106 608051140 /nfs/dbraw/zinc/05/11/40/608051140.db2.gz LXOCQVCLRPEOEF-BZNIZROVSA-N -1 3 388.269 3.553 20 0 GHADHM CN(CC1CC1)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825901178 608057282 /nfs/dbraw/zinc/05/72/82/608057282.db2.gz CUHKPDWEKRWVRR-UHFFFAOYSA-N -1 3 383.839 3.794 20 0 GHADHM CN(CC1CC1)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825901178 608057283 /nfs/dbraw/zinc/05/72/83/608057283.db2.gz CUHKPDWEKRWVRR-UHFFFAOYSA-N -1 3 383.839 3.794 20 0 GHADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385470 608058074 /nfs/dbraw/zinc/05/80/74/608058074.db2.gz HBRHWAZJGNUDRF-MGPUTAFESA-N -1 3 391.475 3.594 20 0 GHADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385470 608058075 /nfs/dbraw/zinc/05/80/75/608058075.db2.gz HBRHWAZJGNUDRF-MGPUTAFESA-N -1 3 391.475 3.594 20 0 GHADHM Cc1c[nH]c(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826319357 608078794 /nfs/dbraw/zinc/07/87/94/608078794.db2.gz YXNBAXKEWCPBPN-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM Cc1c[nH]c(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826319357 608078795 /nfs/dbraw/zinc/07/87/95/608078795.db2.gz YXNBAXKEWCPBPN-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824764383 608104331 /nfs/dbraw/zinc/10/43/31/608104331.db2.gz VXIBKZMXUSCVDG-LLVKDONJSA-N -1 3 397.485 3.700 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824764383 608104332 /nfs/dbraw/zinc/10/43/32/608104332.db2.gz VXIBKZMXUSCVDG-LLVKDONJSA-N -1 3 397.485 3.700 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccc(C)cc1C ZINC000825796487 608109234 /nfs/dbraw/zinc/10/92/34/608109234.db2.gz FZMVCRQCMCEBPE-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccc(C)cc1C ZINC000825796487 608109235 /nfs/dbraw/zinc/10/92/35/608109235.db2.gz FZMVCRQCMCEBPE-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000825333288 608166501 /nfs/dbraw/zinc/16/65/01/608166501.db2.gz VGOROJDRZPNBIW-NSHDSACASA-N -1 3 386.406 3.709 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825643056 608182178 /nfs/dbraw/zinc/18/21/78/608182178.db2.gz HAOMTJJLEWGCQO-CQSZACIVSA-N -1 3 396.447 3.727 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825643056 608182179 /nfs/dbraw/zinc/18/21/79/608182179.db2.gz HAOMTJJLEWGCQO-CQSZACIVSA-N -1 3 396.447 3.727 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(Cc4cccnc4)CC3)c2c1 ZINC000826263671 608194541 /nfs/dbraw/zinc/19/45/41/608194541.db2.gz LVJGMRUINJRWPS-UHFFFAOYSA-N -1 3 399.502 3.886 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(Cc4cccnc4)CC3)c2c1 ZINC000826263671 608194542 /nfs/dbraw/zinc/19/45/42/608194542.db2.gz LVJGMRUINJRWPS-UHFFFAOYSA-N -1 3 399.502 3.886 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2cc(Cl)[nH]n2)cc1 ZINC000826254806 608199844 /nfs/dbraw/zinc/19/98/44/608199844.db2.gz AZEGVSLJFZCHQT-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM COc1cccc(C[C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826216202 608223375 /nfs/dbraw/zinc/22/33/75/608223375.db2.gz OOBQSVCHQJPNGX-GOSISDBHSA-N -1 3 386.459 3.635 20 0 GHADHM COc1cccc(C[C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826216202 608223377 /nfs/dbraw/zinc/22/33/77/608223377.db2.gz OOBQSVCHQJPNGX-GOSISDBHSA-N -1 3 386.459 3.635 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(-n2cccn2)cc1 ZINC000824657596 608229783 /nfs/dbraw/zinc/22/97/83/608229783.db2.gz ROILRWZODFVRBU-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(-n2cccn2)cc1 ZINC000824657596 608229785 /nfs/dbraw/zinc/22/97/85/608229785.db2.gz ROILRWZODFVRBU-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1sc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c(-c2nnn[n-]2)c1C ZINC000826350128 608264916 /nfs/dbraw/zinc/26/49/16/608264916.db2.gz JODUUIJHUQDMDF-HNNXBMFYSA-N -1 3 383.477 3.691 20 0 GHADHM Cc1sc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c(-c2nn[n-]n2)c1C ZINC000826350128 608264918 /nfs/dbraw/zinc/26/49/18/608264918.db2.gz JODUUIJHUQDMDF-HNNXBMFYSA-N -1 3 383.477 3.691 20 0 GHADHM COc1ccc([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1Br ZINC000826189099 608270369 /nfs/dbraw/zinc/27/03/69/608270369.db2.gz NEQSHKYMZQGYBT-JTQLQIEISA-N -1 3 389.257 3.514 20 0 GHADHM COc1ccc([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1Br ZINC000826189099 608270371 /nfs/dbraw/zinc/27/03/71/608270371.db2.gz NEQSHKYMZQGYBT-JTQLQIEISA-N -1 3 389.257 3.514 20 0 GHADHM O=C(Oc1ccc2cncnc2c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826468491 608273261 /nfs/dbraw/zinc/27/32/61/608273261.db2.gz UCVPGPRNNDXLSN-UHFFFAOYSA-N -1 3 394.394 3.696 20 0 GHADHM O=C(Oc1ccc2cncnc2c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826468491 608273262 /nfs/dbraw/zinc/27/32/62/608273262.db2.gz UCVPGPRNNDXLSN-UHFFFAOYSA-N -1 3 394.394 3.696 20 0 GHADHM COCc1cccc(OCC2(CSc3ccc(-c4nnn[n-]4)cn3)CCC2)c1 ZINC000826164526 608291597 /nfs/dbraw/zinc/29/15/97/608291597.db2.gz FAAKACXGLHXKFD-UHFFFAOYSA-N -1 3 397.504 3.750 20 0 GHADHM COCc1cccc(OCC2(CSc3ccc(-c4nn[n-]n4)cn3)CCC2)c1 ZINC000826164526 608291599 /nfs/dbraw/zinc/29/15/99/608291599.db2.gz FAAKACXGLHXKFD-UHFFFAOYSA-N -1 3 397.504 3.750 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368107 608296586 /nfs/dbraw/zinc/29/65/86/608296586.db2.gz BZPQSDJFOJSWEY-STQMWFEESA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368107 608296588 /nfs/dbraw/zinc/29/65/88/608296588.db2.gz BZPQSDJFOJSWEY-STQMWFEESA-N -1 3 381.402 3.529 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000825972210 608309150 /nfs/dbraw/zinc/30/91/50/608309150.db2.gz WUCQJJYIFGGAIA-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000825972210 608309152 /nfs/dbraw/zinc/30/91/52/608309152.db2.gz WUCQJJYIFGGAIA-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)C1 ZINC000824928814 608310728 /nfs/dbraw/zinc/31/07/28/608310728.db2.gz UVHZZLHDEUMWFG-SJORKVTESA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)C1 ZINC000824928814 608310731 /nfs/dbraw/zinc/31/07/31/608310731.db2.gz UVHZZLHDEUMWFG-SJORKVTESA-N -1 3 385.512 3.985 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([C@@H]2CCCOC2)c1 ZINC000826452808 608311852 /nfs/dbraw/zinc/31/18/52/608311852.db2.gz JRFRNHCMUJWFMG-OAHLLOKOSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc([C@@H]2CCCOC2)c1 ZINC000826452808 608311854 /nfs/dbraw/zinc/31/18/54/608311854.db2.gz JRFRNHCMUJWFMG-OAHLLOKOSA-N -1 3 383.839 3.666 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824448184 608314579 /nfs/dbraw/zinc/31/45/79/608314579.db2.gz GRULDRWEKPEPOL-INIZCTEOSA-N -1 3 392.507 3.763 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824448184 608314582 /nfs/dbraw/zinc/31/45/82/608314582.db2.gz GRULDRWEKPEPOL-INIZCTEOSA-N -1 3 392.507 3.763 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN2C[C@H](C)[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826332185 608315429 /nfs/dbraw/zinc/31/54/29/608315429.db2.gz MEMPCCFDDMBJEY-BTYIYWSLSA-N -1 3 385.475 3.554 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1scnc1Cl ZINC000826441124 608328863 /nfs/dbraw/zinc/32/88/63/608328863.db2.gz OSOHTAQRCSGVDE-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1scnc1Cl ZINC000826441124 608328864 /nfs/dbraw/zinc/32/88/64/608328864.db2.gz OSOHTAQRCSGVDE-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM CCCCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825281859 608356983 /nfs/dbraw/zinc/35/69/83/608356983.db2.gz KWSXJUVLWSTDSU-UHFFFAOYSA-N -1 3 378.480 3.865 20 0 GHADHM CCCCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825281859 608356985 /nfs/dbraw/zinc/35/69/85/608356985.db2.gz KWSXJUVLWSTDSU-UHFFFAOYSA-N -1 3 378.480 3.865 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000826167807 608370147 /nfs/dbraw/zinc/37/01/47/608370147.db2.gz RPAGKDNFGUWSNG-LBPRGKRZSA-N -1 3 380.477 3.678 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000826167807 608370149 /nfs/dbraw/zinc/37/01/49/608370149.db2.gz RPAGKDNFGUWSNG-LBPRGKRZSA-N -1 3 380.477 3.678 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826298521 608406950 /nfs/dbraw/zinc/40/69/50/608406950.db2.gz WVFXNSYZYLNLRP-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)Cc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826298521 608406951 /nfs/dbraw/zinc/40/69/51/608406951.db2.gz WVFXNSYZYLNLRP-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc2ccccc21 ZINC000824635105 608426224 /nfs/dbraw/zinc/42/62/24/608426224.db2.gz YWHQATLEHLPVAU-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc2ccccc21 ZINC000824635105 608426225 /nfs/dbraw/zinc/42/62/25/608426225.db2.gz YWHQATLEHLPVAU-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc2ccccc21 ZINC000824635103 608426232 /nfs/dbraw/zinc/42/62/32/608426232.db2.gz YWHQATLEHLPVAU-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc2ccccc21 ZINC000824635103 608426233 /nfs/dbraw/zinc/42/62/33/608426233.db2.gz YWHQATLEHLPVAU-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1sccc1SC(F)F ZINC000826466678 608448702 /nfs/dbraw/zinc/44/87/02/608448702.db2.gz OPYZNRXHALWCDE-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1sccc1SC(F)F ZINC000826466678 608448703 /nfs/dbraw/zinc/44/87/03/608448703.db2.gz OPYZNRXHALWCDE-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM CCOc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825654219 608468720 /nfs/dbraw/zinc/46/87/20/608468720.db2.gz SCVBIZGAARSACW-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM CCOc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825654219 608468721 /nfs/dbraw/zinc/46/87/21/608468721.db2.gz SCVBIZGAARSACW-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826184239 608470662 /nfs/dbraw/zinc/47/06/62/608470662.db2.gz PQRZPUQEKXRBFM-HNNXBMFYSA-N -1 3 395.360 3.798 20 0 GHADHM Fc1ccc([C@H](CC(F)(F)F)NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826373648 608471370 /nfs/dbraw/zinc/47/13/70/608471370.db2.gz UYZODHPWEAKMBD-HNNXBMFYSA-N -1 3 383.324 3.928 20 0 GHADHM O=C(c1ccc(Cl)cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473379 608479500 /nfs/dbraw/zinc/47/95/00/608479500.db2.gz WDEQACLBMLFCDG-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1ccc(Cl)cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473379 608479501 /nfs/dbraw/zinc/47/95/01/608479501.db2.gz WDEQACLBMLFCDG-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(OCC(F)(F)F)c1 ZINC000826291813 608481476 /nfs/dbraw/zinc/48/14/76/608481476.db2.gz XBOVKESKZARSJF-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(OCC(F)(F)F)c1 ZINC000826291813 608481478 /nfs/dbraw/zinc/48/14/78/608481478.db2.gz XBOVKESKZARSJF-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826305447 608486490 /nfs/dbraw/zinc/48/64/90/608486490.db2.gz WUEFWBQAGNQGQP-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826305447 608486491 /nfs/dbraw/zinc/48/64/91/608486491.db2.gz WUEFWBQAGNQGQP-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM c1csc(-c2nc(CN[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)co2)c1 ZINC000826526084 608504639 /nfs/dbraw/zinc/50/46/39/608504639.db2.gz KIFSWPOJKQEJPH-MRXNPFEDSA-N -1 3 378.461 3.750 20 0 GHADHM c1coc(-c2nc(CN[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cs2)c1 ZINC000826525990 608518884 /nfs/dbraw/zinc/51/88/84/608518884.db2.gz HERWUAQGDVVBHG-MRXNPFEDSA-N -1 3 378.461 3.750 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(F)c1F ZINC000824612934 608556132 /nfs/dbraw/zinc/55/61/32/608556132.db2.gz PYZOELNQLGSVLW-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(F)c1F ZINC000824612934 608556135 /nfs/dbraw/zinc/55/61/35/608556135.db2.gz PYZOELNQLGSVLW-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3ccc(-c4nnn[n-]4)s3)cn2)c1 ZINC000826369357 608569542 /nfs/dbraw/zinc/56/95/42/608569542.db2.gz ZBEJLWSJLAXTDV-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM Cc1cc(CCCC(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(C)s1 ZINC000826266701 608571978 /nfs/dbraw/zinc/57/19/78/608571978.db2.gz YFOLLYVFUARZNC-UHFFFAOYSA-N -1 3 396.520 3.780 20 0 GHADHM Cc1cc(CCCC(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(C)s1 ZINC000826266701 608571980 /nfs/dbraw/zinc/57/19/80/608571980.db2.gz YFOLLYVFUARZNC-UHFFFAOYSA-N -1 3 396.520 3.780 20 0 GHADHM O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826431478 608574108 /nfs/dbraw/zinc/57/41/08/608574108.db2.gz CABYDROUAGVDAZ-AWEZNQCLSA-N -1 3 389.843 3.626 20 0 GHADHM O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826431478 608574109 /nfs/dbraw/zinc/57/41/09/608574109.db2.gz CABYDROUAGVDAZ-AWEZNQCLSA-N -1 3 389.843 3.626 20 0 GHADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000824228551 608574814 /nfs/dbraw/zinc/57/48/14/608574814.db2.gz JMZWCFGXLAAUNI-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000824228551 608574815 /nfs/dbraw/zinc/57/48/15/608574815.db2.gz JMZWCFGXLAAUNI-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000826265319 608575677 /nfs/dbraw/zinc/57/56/77/608575677.db2.gz UVSQYMNUHLYRTA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000826265319 608575678 /nfs/dbraw/zinc/57/56/78/608575678.db2.gz UVSQYMNUHLYRTA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)c2)n1 ZINC000826265213 608575692 /nfs/dbraw/zinc/57/56/92/608575692.db2.gz PZRMEXAVLZMUPA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)c2)n1 ZINC000826265213 608575693 /nfs/dbraw/zinc/57/56/93/608575693.db2.gz PZRMEXAVLZMUPA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)c1 ZINC000826369039 608735829 /nfs/dbraw/zinc/73/58/29/608735829.db2.gz JYWJFXFKRODQPK-HNNXBMFYSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)c1 ZINC000826369039 608735832 /nfs/dbraw/zinc/73/58/32/608735832.db2.gz JYWJFXFKRODQPK-HNNXBMFYSA-N -1 3 395.410 3.521 20 0 GHADHM Fc1cccc(COc2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)c1 ZINC000826377459 608772151 /nfs/dbraw/zinc/77/21/51/608772151.db2.gz SQQKZXWWBIXRGP-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cccc(COc2ccc(CNc3cnccc3-c3nn[n-]n3)cc2)c1 ZINC000826377459 608772152 /nfs/dbraw/zinc/77/21/52/608772152.db2.gz SQQKZXWWBIXRGP-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1nccs1)c1ccccc1 ZINC000826408685 608821812 /nfs/dbraw/zinc/82/18/12/608821812.db2.gz RAZXZTWOGNSLDS-SFHVURJKSA-N -1 3 391.456 3.589 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1nccs1)c1ccccc1 ZINC000826408685 608821815 /nfs/dbraw/zinc/82/18/15/608821815.db2.gz RAZXZTWOGNSLDS-SFHVURJKSA-N -1 3 391.456 3.589 20 0 GHADHM CCCCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825290635 608853707 /nfs/dbraw/zinc/85/37/07/608853707.db2.gz CCKHWFBLVVBSGJ-NRFANRHFSA-N -1 3 393.491 3.619 20 0 GHADHM Clc1cccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1Cl ZINC000826353349 608854738 /nfs/dbraw/zinc/85/47/38/608854738.db2.gz LUHAGYOWTSFSFT-INIZCTEOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1Cl ZINC000826353349 608854740 /nfs/dbraw/zinc/85/47/40/608854740.db2.gz LUHAGYOWTSFSFT-INIZCTEOSA-N -1 3 390.274 3.747 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334680 608868814 /nfs/dbraw/zinc/86/88/14/608868814.db2.gz FEDOANVGSBGHKL-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824908582 609149134 /nfs/dbraw/zinc/14/91/34/609149134.db2.gz PYUDIVKAANOIBN-BXKDBHETSA-N -1 3 391.344 3.631 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C)nc2C)c1-c1nnn[n-]1 ZINC000826282463 609165000 /nfs/dbraw/zinc/16/50/00/609165000.db2.gz PPDVWJYHZADDHC-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C)nc2C)c1-c1nn[n-]n1 ZINC000826282463 609165001 /nfs/dbraw/zinc/16/50/01/609165001.db2.gz PPDVWJYHZADDHC-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@@H](C)n2cccc2)c1-c1nnn[n-]1 ZINC000826233800 609166499 /nfs/dbraw/zinc/16/64/99/609166499.db2.gz WIYDFFIFKVJSAS-CQSZACIVSA-N -1 3 389.463 3.666 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@@H](C)n2cccc2)c1-c1nn[n-]n1 ZINC000826233800 609166501 /nfs/dbraw/zinc/16/65/01/609166501.db2.gz WIYDFFIFKVJSAS-CQSZACIVSA-N -1 3 389.463 3.666 20 0 GHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824242775 609170326 /nfs/dbraw/zinc/17/03/26/609170326.db2.gz BHQVZZHGDHYDBQ-STQMWFEESA-N -1 3 380.290 3.635 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Br)s1 ZINC000825481250 609178221 /nfs/dbraw/zinc/17/82/21/609178221.db2.gz UPJGWFOVUMHKQZ-UHFFFAOYSA-N -1 3 379.287 3.735 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(SC(=O)N(C)C)cc1 ZINC000825481022 609178253 /nfs/dbraw/zinc/17/82/53/609178253.db2.gz RIHOKEOLUXERJG-UHFFFAOYSA-N -1 3 397.508 3.684 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2cccs2)cc1 ZINC000824347943 609190382 /nfs/dbraw/zinc/19/03/82/609190382.db2.gz UKNACRDSCSXERO-GOSISDBHSA-N -1 3 392.488 3.899 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2cccs2)cc1 ZINC000824347943 609190383 /nfs/dbraw/zinc/19/03/83/609190383.db2.gz UKNACRDSCSXERO-GOSISDBHSA-N -1 3 392.488 3.899 20 0 GHADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000826469295 609207544 /nfs/dbraw/zinc/20/75/44/609207544.db2.gz ATMGJTJANLLTLI-HNNXBMFYSA-N -1 3 390.369 3.581 20 0 GHADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000826469295 609207545 /nfs/dbraw/zinc/20/75/45/609207545.db2.gz ATMGJTJANLLTLI-HNNXBMFYSA-N -1 3 390.369 3.581 20 0 GHADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824656817 609239838 /nfs/dbraw/zinc/23/98/38/609239838.db2.gz NFZRTYKVPQJSQF-CYBMUJFWSA-N -1 3 398.898 3.654 20 0 GHADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824656817 609239839 /nfs/dbraw/zinc/23/98/39/609239839.db2.gz NFZRTYKVPQJSQF-CYBMUJFWSA-N -1 3 398.898 3.654 20 0 GHADHM COCCc1nc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)ccc2o1 ZINC000826163385 609243079 /nfs/dbraw/zinc/24/30/79/609243079.db2.gz RXUTWCKYPWWXRI-LLVKDONJSA-N -1 3 382.399 3.509 20 0 GHADHM COCCc1nc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)ccc2o1 ZINC000826163385 609243081 /nfs/dbraw/zinc/24/30/81/609243081.db2.gz RXUTWCKYPWWXRI-LLVKDONJSA-N -1 3 382.399 3.509 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656120 609251580 /nfs/dbraw/zinc/25/15/80/609251580.db2.gz HUYVLFIUNGHPLE-VIFPVBQESA-N -1 3 382.321 3.515 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656120 609251582 /nfs/dbraw/zinc/25/15/82/609251582.db2.gz HUYVLFIUNGHPLE-VIFPVBQESA-N -1 3 382.321 3.515 20 0 GHADHM Brc1ccc2nc(NCc3ccc(-c4nnn[n-]4)s3)sc2c1 ZINC000823832609 609264001 /nfs/dbraw/zinc/26/40/01/609264001.db2.gz RFYHVRFUMACPES-UHFFFAOYSA-N -1 3 393.295 3.913 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662604 609276339 /nfs/dbraw/zinc/27/63/39/609276339.db2.gz NXBCLMMXVINPDP-HNNXBMFYSA-N -1 3 376.464 3.666 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662604 609276340 /nfs/dbraw/zinc/27/63/40/609276340.db2.gz NXBCLMMXVINPDP-HNNXBMFYSA-N -1 3 376.464 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(F)c1Sc1ccccc1 ZINC000826453188 609281075 /nfs/dbraw/zinc/28/10/75/609281075.db2.gz ZYVDYADPRGUHRG-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(F)c1Sc1ccccc1 ZINC000826453188 609281077 /nfs/dbraw/zinc/28/10/77/609281077.db2.gz ZYVDYADPRGUHRG-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825076564 609312693 /nfs/dbraw/zinc/31/26/93/609312693.db2.gz WNNLOMQPDJCSAC-AWEZNQCLSA-N -1 3 381.484 3.645 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825076564 609312694 /nfs/dbraw/zinc/31/26/94/609312694.db2.gz WNNLOMQPDJCSAC-AWEZNQCLSA-N -1 3 381.484 3.645 20 0 GHADHM O=C(N[C@H]1COc2ccccc21)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826432431 609316927 /nfs/dbraw/zinc/31/69/27/609316927.db2.gz AMDHPQJONGJDCJ-KRWDZBQOSA-N -1 3 399.410 3.523 20 0 GHADHM O=C(N[C@H]1COc2ccccc21)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826432431 609316929 /nfs/dbraw/zinc/31/69/29/609316929.db2.gz AMDHPQJONGJDCJ-KRWDZBQOSA-N -1 3 399.410 3.523 20 0 GHADHM CC(C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2Br)no1 ZINC000824359525 609328514 /nfs/dbraw/zinc/32/85/14/609328514.db2.gz WNIZNSRYAVOIOK-UHFFFAOYSA-N -1 3 395.286 3.569 20 0 GHADHM CC(C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2Br)no1 ZINC000824359525 609328516 /nfs/dbraw/zinc/32/85/16/609328516.db2.gz WNIZNSRYAVOIOK-UHFFFAOYSA-N -1 3 395.286 3.569 20 0 GHADHM Cc1cccnc1COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826308001 609352053 /nfs/dbraw/zinc/35/20/53/609352053.db2.gz FHPCACBJTHHRDS-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cccnc1COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826308001 609352055 /nfs/dbraw/zinc/35/20/55/609352055.db2.gz FHPCACBJTHHRDS-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C(OCC[C@H]1CCCC1=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826463300 609352889 /nfs/dbraw/zinc/35/28/89/609352889.db2.gz ZKZHQWDWPYJJNS-CQSZACIVSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(OCC[C@H]1CCCC1=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826463300 609352891 /nfs/dbraw/zinc/35/28/91/609352891.db2.gz ZKZHQWDWPYJJNS-CQSZACIVSA-N -1 3 392.415 3.575 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)C1 ZINC000824917112 609367642 /nfs/dbraw/zinc/36/76/42/609367642.db2.gz MAWZRQQWGABSEG-GTNSWQLSSA-N -1 3 376.917 3.729 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)C1 ZINC000824917112 609367646 /nfs/dbraw/zinc/36/76/46/609367646.db2.gz MAWZRQQWGABSEG-GTNSWQLSSA-N -1 3 376.917 3.729 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825181170 609370363 /nfs/dbraw/zinc/37/03/63/609370363.db2.gz CGADLNYYVQYZTQ-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825181170 609370364 /nfs/dbraw/zinc/37/03/64/609370364.db2.gz CGADLNYYVQYZTQ-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM COC(=O)[C@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C1CC1 ZINC000826111739 609373302 /nfs/dbraw/zinc/37/33/02/609373302.db2.gz LIXHTZAWRPNOCS-QGZVFWFLSA-N -1 3 399.838 3.676 20 0 GHADHM COC(=O)[C@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C1CC1 ZINC000826111739 609373306 /nfs/dbraw/zinc/37/33/06/609373306.db2.gz LIXHTZAWRPNOCS-QGZVFWFLSA-N -1 3 399.838 3.676 20 0 GHADHM O=C(NC[C@@H]1Cc2ccccc21)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435812 609377601 /nfs/dbraw/zinc/37/76/01/609377601.db2.gz YEZYSJGTGDEOAN-INIZCTEOSA-N -1 3 397.438 3.729 20 0 GHADHM O=C(NC[C@@H]1Cc2ccccc21)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826435812 609377602 /nfs/dbraw/zinc/37/76/02/609377602.db2.gz YEZYSJGTGDEOAN-INIZCTEOSA-N -1 3 397.438 3.729 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499430 609378690 /nfs/dbraw/zinc/37/86/90/609378690.db2.gz PELPODRKCFICGE-MFKMUULPSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499430 609378692 /nfs/dbraw/zinc/37/86/92/609378692.db2.gz PELPODRKCFICGE-MFKMUULPSA-N -1 3 384.406 3.594 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000825687412 609383439 /nfs/dbraw/zinc/38/34/39/609383439.db2.gz IZRJVEPUDNYAKB-TZMCWYRMSA-N -1 3 377.514 3.579 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000825687412 609383441 /nfs/dbraw/zinc/38/34/41/609383441.db2.gz IZRJVEPUDNYAKB-TZMCWYRMSA-N -1 3 377.514 3.579 20 0 GHADHM CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366863 609396922 /nfs/dbraw/zinc/39/69/22/609396922.db2.gz HCJQXBLCDHAKNJ-GUYCJALGSA-N -1 3 391.903 3.714 20 0 GHADHM CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366863 609396925 /nfs/dbraw/zinc/39/69/25/609396925.db2.gz HCJQXBLCDHAKNJ-GUYCJALGSA-N -1 3 391.903 3.714 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1-c1nnn[n-]1 ZINC000824919741 609405683 /nfs/dbraw/zinc/40/56/83/609405683.db2.gz XUXRIAXQSIPZPY-VLIAUNLRSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000824919741 609405685 /nfs/dbraw/zinc/40/56/85/609405685.db2.gz XUXRIAXQSIPZPY-VLIAUNLRSA-N -1 3 384.484 3.698 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000825739957 609424996 /nfs/dbraw/zinc/42/49/96/609424996.db2.gz LRHHAULDPNVGIF-CYBMUJFWSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)n1 ZINC000825739957 609424997 /nfs/dbraw/zinc/42/49/97/609424997.db2.gz LRHHAULDPNVGIF-CYBMUJFWSA-N -1 3 391.504 3.818 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)n1 ZINC000826369048 609430033 /nfs/dbraw/zinc/43/00/33/609430033.db2.gz KMMFBZOBXHKXMI-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)n1 ZINC000826369048 609430035 /nfs/dbraw/zinc/43/00/35/609430035.db2.gz KMMFBZOBXHKXMI-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361186 609444471 /nfs/dbraw/zinc/44/44/71/609444471.db2.gz CYPUSMZWFHSIPE-DLBZAZTESA-N -1 3 377.492 3.963 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361186 609444474 /nfs/dbraw/zinc/44/44/74/609444474.db2.gz CYPUSMZWFHSIPE-DLBZAZTESA-N -1 3 377.492 3.963 20 0 GHADHM COc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(OC)c1C(C)C ZINC000826180483 609448233 /nfs/dbraw/zinc/44/82/33/609448233.db2.gz JOKAXWKHBHOYOG-UHFFFAOYSA-N -1 3 382.424 3.651 20 0 GHADHM COc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(OC)c1C(C)C ZINC000826180483 609448234 /nfs/dbraw/zinc/44/82/34/609448234.db2.gz JOKAXWKHBHOYOG-UHFFFAOYSA-N -1 3 382.424 3.651 20 0 GHADHM FC(F)(F)CCCCNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826367472 609449129 /nfs/dbraw/zinc/44/91/29/609449129.db2.gz AICXOJGQVPIVBI-UHFFFAOYSA-N -1 3 385.781 3.850 20 0 GHADHM FC(F)(F)CCCCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826367472 609449133 /nfs/dbraw/zinc/44/91/33/609449133.db2.gz AICXOJGQVPIVBI-UHFFFAOYSA-N -1 3 385.781 3.850 20 0 GHADHM CCc1nnc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000825762769 609450571 /nfs/dbraw/zinc/45/05/71/609450571.db2.gz IBQGMKDDDGBHAH-KGLIPLIRSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1nnc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000825762769 609450573 /nfs/dbraw/zinc/45/05/73/609450573.db2.gz IBQGMKDDDGBHAH-KGLIPLIRSA-N -1 3 389.463 3.891 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825108678 609450667 /nfs/dbraw/zinc/45/06/67/609450667.db2.gz ZBKQTRHWDZIDPZ-VIFPVBQESA-N -1 3 387.431 3.671 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825108678 609450668 /nfs/dbraw/zinc/45/06/68/609450668.db2.gz ZBKQTRHWDZIDPZ-VIFPVBQESA-N -1 3 387.431 3.671 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(CSC(F)F)o1 ZINC000825631906 609476648 /nfs/dbraw/zinc/47/66/48/609476648.db2.gz IMPFGNFDVAJTOH-UHFFFAOYSA-N -1 3 381.408 3.926 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(CSC(F)F)o1 ZINC000825631906 609476650 /nfs/dbraw/zinc/47/66/50/609476650.db2.gz IMPFGNFDVAJTOH-UHFFFAOYSA-N -1 3 381.408 3.926 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc3cc(F)ccc3o2)cc1-c1nnn[n-]1 ZINC000825553187 609488648 /nfs/dbraw/zinc/48/86/48/609488648.db2.gz LUNPFWFGZCALPE-UHFFFAOYSA-N -1 3 396.382 3.933 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc3cc(F)ccc3o2)cc1-c1nn[n-]n1 ZINC000825553187 609488649 /nfs/dbraw/zinc/48/86/49/609488649.db2.gz LUNPFWFGZCALPE-UHFFFAOYSA-N -1 3 396.382 3.933 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCCOC(C)C ZINC000826271941 609488683 /nfs/dbraw/zinc/48/86/83/609488683.db2.gz NUQCIOOCMPNKLV-UHFFFAOYSA-N -1 3 396.451 3.506 20 0 GHADHM Cc1c(NCc2ccc(NC(=O)OC(C)(C)C)nc2)cccc1-c1nnn[n-]1 ZINC000826242639 609488859 /nfs/dbraw/zinc/48/88/59/609488859.db2.gz YSYVHWJIWSPTCY-UHFFFAOYSA-N -1 3 381.440 3.529 20 0 GHADHM Cc1c(NCc2ccc(NC(=O)OC(C)(C)C)nc2)cccc1-c1nn[n-]n1 ZINC000826242639 609488861 /nfs/dbraw/zinc/48/88/61/609488861.db2.gz YSYVHWJIWSPTCY-UHFFFAOYSA-N -1 3 381.440 3.529 20 0 GHADHM CC(C)Oc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1-c1nnn[n-]1 ZINC000824329155 609492424 /nfs/dbraw/zinc/49/24/24/609492424.db2.gz JSZBRRCUKFKNLM-UHFFFAOYSA-N -1 3 376.420 3.520 20 0 GHADHM CC(C)Oc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1-c1nn[n-]n1 ZINC000824329155 609492426 /nfs/dbraw/zinc/49/24/26/609492426.db2.gz JSZBRRCUKFKNLM-UHFFFAOYSA-N -1 3 376.420 3.520 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(c2nccc(C)c2-c2nnn[n-]2)C3)cs1 ZINC000826322672 609585210 /nfs/dbraw/zinc/58/52/10/609585210.db2.gz XCJONIPIRNYMIP-UHFFFAOYSA-N -1 3 395.517 3.626 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(c2nccc(C)c2-c2nn[n-]n2)C3)cs1 ZINC000826322672 609585212 /nfs/dbraw/zinc/58/52/12/609585212.db2.gz XCJONIPIRNYMIP-UHFFFAOYSA-N -1 3 395.517 3.626 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000826250590 609598407 /nfs/dbraw/zinc/59/84/07/609598407.db2.gz IOPVQVJQVFJNOV-OAHLLOKOSA-N -1 3 391.479 3.510 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000826250590 609598411 /nfs/dbraw/zinc/59/84/11/609598411.db2.gz IOPVQVJQVFJNOV-OAHLLOKOSA-N -1 3 391.479 3.510 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824909317 609606379 /nfs/dbraw/zinc/60/63/79/609606379.db2.gz SUYDTSZEABGNJN-PWSUYJOCSA-N -1 3 399.421 3.618 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824909317 609606381 /nfs/dbraw/zinc/60/63/81/609606381.db2.gz SUYDTSZEABGNJN-PWSUYJOCSA-N -1 3 399.421 3.618 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826428733 609609886 /nfs/dbraw/zinc/60/98/86/609609886.db2.gz JPNXQSKUOCYRID-UHFFFAOYSA-N -1 3 375.432 3.722 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826428733 609609888 /nfs/dbraw/zinc/60/98/88/609609888.db2.gz JPNXQSKUOCYRID-UHFFFAOYSA-N -1 3 375.432 3.722 20 0 GHADHM C[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824051738 609614436 /nfs/dbraw/zinc/61/44/36/609614436.db2.gz CQOWLYISCGNQSK-VIFPVBQESA-N -1 3 378.766 3.645 20 0 GHADHM C[C@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824051738 609614437 /nfs/dbraw/zinc/61/44/37/609614437.db2.gz CQOWLYISCGNQSK-VIFPVBQESA-N -1 3 378.766 3.645 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1CCSc2ccccc21 ZINC000826465570 609618203 /nfs/dbraw/zinc/61/82/03/609618203.db2.gz SBWXYXCASWKTSC-CQSZACIVSA-N -1 3 386.864 3.843 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1CCSc2ccccc21 ZINC000826465570 609618204 /nfs/dbraw/zinc/61/82/04/609618204.db2.gz SBWXYXCASWKTSC-CQSZACIVSA-N -1 3 386.864 3.843 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825183989 609624128 /nfs/dbraw/zinc/62/41/28/609624128.db2.gz QGSGYAWDGJMTRF-ZWKOTPCHSA-N -1 3 392.459 3.782 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825183989 609624129 /nfs/dbraw/zinc/62/41/29/609624129.db2.gz QGSGYAWDGJMTRF-ZWKOTPCHSA-N -1 3 392.459 3.782 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000123812540 837394245 /nfs/dbraw/zinc/39/42/45/837394245.db2.gz KZFZAJGGWYFJTO-GJZGRUSLSA-N -1 3 375.266 3.758 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)cc1I ZINC000162893398 837452471 /nfs/dbraw/zinc/45/24/71/837452471.db2.gz CQXQVSDFWBRVOC-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)cc1I ZINC000162893398 837452475 /nfs/dbraw/zinc/45/24/75/837452475.db2.gz CQXQVSDFWBRVOC-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)OC)cc2)cc1 ZINC000414395219 837696016 /nfs/dbraw/zinc/69/60/16/837696016.db2.gz JPLPPSVXNRODCZ-CQSZACIVSA-N -1 3 377.462 3.553 20 0 GHADHM CSCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000066551063 837771733 /nfs/dbraw/zinc/77/17/33/837771733.db2.gz SFMSUMROXHTXOJ-UHFFFAOYSA-N -1 3 396.509 3.628 20 0 GHADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000050867620 834592893 /nfs/dbraw/zinc/59/28/93/834592893.db2.gz NZDJYKLQULIYBK-VGOFRKELSA-N -1 3 376.456 3.768 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170810879 834638093 /nfs/dbraw/zinc/63/80/93/834638093.db2.gz FBBMQBBKEHAKRI-ICSRJNTNSA-N -1 3 380.488 3.524 20 0 GHADHM O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000091773928 834653449 /nfs/dbraw/zinc/65/34/49/834653449.db2.gz OISJZCPOLJDUJC-MRXNPFEDSA-N -1 3 393.468 3.759 20 0 GHADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094084815 834722760 /nfs/dbraw/zinc/72/27/60/834722760.db2.gz ILILIEIPXQVYIM-UHFFFAOYSA-N -1 3 376.359 3.595 20 0 GHADHM Cc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)c(C)c1O ZINC000274710923 834787315 /nfs/dbraw/zinc/78/73/15/834787315.db2.gz CVEYTVAHHGGUKI-UHFFFAOYSA-N -1 3 392.459 3.755 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCC2=CCCCC2)CC1 ZINC000579804632 834823491 /nfs/dbraw/zinc/82/34/91/834823491.db2.gz WBSHIINPACMCNV-UHFFFAOYSA-N -1 3 391.899 3.906 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000536219067 834833693 /nfs/dbraw/zinc/83/36/93/834833693.db2.gz HHMRXEGMFUXIJU-QGZVFWFLSA-N -1 3 375.856 3.508 20 0 GHADHM COc1ccccc1C[C@H](CNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000683170844 834905320 /nfs/dbraw/zinc/90/53/20/834905320.db2.gz BKTILRLIDJHBDH-CYBMUJFWSA-N -1 3 399.821 3.983 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000610194333 835002534 /nfs/dbraw/zinc/00/25/34/835002534.db2.gz SEFXJLITZOMWHK-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(C(F)(F)F)o1 ZINC000511306991 835148459 /nfs/dbraw/zinc/14/84/59/835148459.db2.gz PYRYMXXRISCJJI-UHFFFAOYSA-N -1 3 388.143 3.691 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c1 ZINC000611971282 835212468 /nfs/dbraw/zinc/21/24/68/835212468.db2.gz CJOWMIRWVNMNEN-UHFFFAOYSA-N -1 3 376.444 3.508 20 0 GHADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Br)c(Cl)c1 ZINC000131523539 835218225 /nfs/dbraw/zinc/21/82/25/835218225.db2.gz 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GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)c1 ZINC000122892143 838365171 /nfs/dbraw/zinc/36/51/71/838365171.db2.gz IEYGITKQCUSWKZ-HXUWFJFHSA-N -1 3 396.487 3.523 20 0 GHADHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000510309983 838382696 /nfs/dbraw/zinc/38/26/96/838382696.db2.gz XNDYFYAYZVERLK-AWEZNQCLSA-N -1 3 398.750 3.568 20 0 GHADHM CC(=O)CCc1ccc(OCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cc1 ZINC000512544787 844330234 /nfs/dbraw/zinc/33/02/34/844330234.db2.gz JROIKZUVTBUHJE-UHFFFAOYSA-N -1 3 391.471 3.655 20 0 GHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2c1C ZINC000473501472 844339993 /nfs/dbraw/zinc/33/99/93/844339993.db2.gz DQMJQPYEPPDQOG-UHFFFAOYSA-N -1 3 377.393 3.858 20 0 GHADHM O=S(=O)([N-]CCCc1nccs1)c1cc(Cl)ccc1C(F)(F)F ZINC000558483400 838570072 /nfs/dbraw/zinc/57/00/72/838570072.db2.gz OTFJGUJNOSVYAW-UHFFFAOYSA-N -1 3 384.832 3.726 20 0 GHADHM Cc1cccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)n1 ZINC000180554004 838571306 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O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(Cl)ccn1 ZINC000183602917 839024776 /nfs/dbraw/zinc/02/47/76/839024776.db2.gz SEFHSLSBJVSJLO-GOSISDBHSA-N -1 3 395.846 3.941 20 0 GHADHM CCC(C)(CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183614775 839026957 /nfs/dbraw/zinc/02/69/57/839026957.db2.gz LFKBNBGZZJIAOA-UHFFFAOYSA-N -1 3 375.494 3.647 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCSC2(CCC2)CC1 ZINC000580288368 839059603 /nfs/dbraw/zinc/05/96/03/839059603.db2.gz NGGCTNHXKPIORV-UHFFFAOYSA-N -1 3 385.327 3.726 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c1Cl ZINC000580234181 839092618 /nfs/dbraw/zinc/09/26/18/839092618.db2.gz KTDQJIIYGHNWID-UHFFFAOYSA-N -1 3 396.299 3.966 20 0 GHADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000580239754 839101310 /nfs/dbraw/zinc/10/13/10/839101310.db2.gz NRVOJTGHKZOLMP-SNVBAGLBSA-N -1 3 391.798 3.813 20 0 GHADHM CCC1(CC)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000183866700 839210024 /nfs/dbraw/zinc/21/00/24/839210024.db2.gz RPTTXSVNILNUQP-HHHXNRCGSA-N -1 3 385.529 3.746 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1 ZINC000467073695 839274268 /nfs/dbraw/zinc/27/42/68/839274268.db2.gz SCCFBQZAIAXUIY-UHFFFAOYSA-N -1 3 384.505 3.815 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]N3Cc4ccccc4C3=O)c(C(C)(C)C)n2)cc1 ZINC000183903778 839397376 /nfs/dbraw/zinc/39/73/76/839397376.db2.gz MBJPRJBJECFNFH-UHFFFAOYSA-N -1 3 388.471 3.779 20 0 GHADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000416577644 839452074 /nfs/dbraw/zinc/45/20/74/839452074.db2.gz AESKUCXMPOJUFZ-XPTSAGLGSA-N -1 3 396.734 3.584 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(Cl)c(OC)c3)nc2)n1 ZINC000549246163 839526185 /nfs/dbraw/zinc/52/61/85/839526185.db2.gz DMNHDKAQLMZGBE-UHFFFAOYSA-N -1 3 384.867 3.545 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000377442429 839529597 /nfs/dbraw/zinc/52/95/97/839529597.db2.gz CVKWWCKFUOENAE-UHFFFAOYSA-N -1 3 396.878 3.797 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@]1(C)C(=O)[O-] ZINC000580440619 839561776 /nfs/dbraw/zinc/56/17/76/839561776.db2.gz KGSDTRAJKXMHBN-DIFFPNOSSA-N -1 3 379.254 3.647 20 0 GHADHM O=C(NCc1cccc(COc2ccccc2)c1)N[N-]C(=O)c1ccccc1F ZINC000057261943 840011317 /nfs/dbraw/zinc/01/13/17/840011317.db2.gz PTHVOYKXUAJMSK-UHFFFAOYSA-N -1 3 393.418 3.549 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)[nH][n-]2)c1 ZINC000512554618 844514168 /nfs/dbraw/zinc/51/41/68/844514168.db2.gz HQOYQRFZEHNJLK-CYBMUJFWSA-N -1 3 392.484 3.800 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1ccc(F)cc1C(F)(F)F ZINC000660104527 840234939 /nfs/dbraw/zinc/23/49/39/840234939.db2.gz UIMDXPVSQTWMFN-APHBMKBZSA-N -1 3 389.345 3.600 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C(C)(C)C)nc3)c2)n1 ZINC000580852820 840332832 /nfs/dbraw/zinc/33/28/32/840332832.db2.gz LFIZQLPFHMQTSG-UHFFFAOYSA-N -1 3 377.448 3.751 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3c4ccccc4O[C@H]3C)cc2)cc(=O)[n-]1 ZINC000580856465 840338770 /nfs/dbraw/zinc/33/87/70/840338770.db2.gz MHQGBCGJXYACBC-FKIZINRSSA-N -1 3 376.416 3.801 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000416998778 840366014 /nfs/dbraw/zinc/36/60/14/840366014.db2.gz BMKLKCPXAIBBFN-HUUCEWRRSA-N -1 3 380.492 3.790 20 0 GHADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1S(=O)(=O)C1CCCC1 ZINC000417031830 840394465 /nfs/dbraw/zinc/39/44/65/840394465.db2.gz GVOUHZBWTXRMDX-UHFFFAOYSA-N -1 3 387.505 3.696 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1F ZINC000511690021 840525400 /nfs/dbraw/zinc/52/54/00/840525400.db2.gz XRTLAKBRNBGMJF-UHFFFAOYSA-N -1 3 397.468 3.747 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1C ZINC000580964394 840530677 /nfs/dbraw/zinc/53/06/77/840530677.db2.gz LAIJHDDWSAGCHQ-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1ccc(Cl)cc1C(F)(F)F ZINC000026866520 840752234 /nfs/dbraw/zinc/75/22/34/840752234.db2.gz NKCWRHKJERHZEL-LBPRGKRZSA-N -1 3 391.798 3.641 20 0 GHADHM O=C(CC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1)NC1CCCC1 ZINC000656417098 840774367 /nfs/dbraw/zinc/77/43/67/840774367.db2.gz WHPJZFAJXKATQG-UHFFFAOYSA-N -1 3 394.519 3.510 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000047436867 840824441 /nfs/dbraw/zinc/82/44/41/840824441.db2.gz HHCCAXKIKCZDFU-UHFFFAOYSA-N -1 3 390.369 3.666 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000047436867 840824448 /nfs/dbraw/zinc/82/44/48/840824448.db2.gz HHCCAXKIKCZDFU-UHFFFAOYSA-N -1 3 390.369 3.666 20 0 GHADHM O=C(NCc1cccc(OCc2ccccc2)c1)NN=c1ccc(Cl)n[n-]1 ZINC000124213524 840829875 /nfs/dbraw/zinc/82/98/75/840829875.db2.gz CUWRNRKHTPWCLJ-UHFFFAOYSA-N -1 3 383.839 3.535 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc(Cl)s1 ZINC000610485489 840842633 /nfs/dbraw/zinc/84/26/33/840842633.db2.gz FIULHEIYOHVCOY-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000043585942 840913417 /nfs/dbraw/zinc/91/34/17/840913417.db2.gz XCFQCTRMDDTOPR-UHFFFAOYSA-N -1 3 375.494 3.970 20 0 GHADHM COc1ccc(OCc2nc(CNC(C)(C)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000417630104 841068315 /nfs/dbraw/zinc/06/83/15/841068315.db2.gz CEVFPEIWMDTKON-ZDUSSCGKSA-N -1 3 378.494 3.710 20 0 GHADHM COc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1OCC(F)(F)F ZINC000417665869 841113234 /nfs/dbraw/zinc/11/32/34/841113234.db2.gz DQZWDUVUCUVCCH-UHFFFAOYSA-N -1 3 383.366 3.933 20 0 GHADHM Cc1cccnc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000145668121 844615256 /nfs/dbraw/zinc/61/52/56/844615256.db2.gz YIRIVEHFOXDURX-UHFFFAOYSA-N -1 3 388.855 3.632 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2sc(Br)cc2C)s1 ZINC000651641817 841207536 /nfs/dbraw/zinc/20/75/36/841207536.db2.gz APLFWFFVDKPGIO-MRVPVSSYSA-N -1 3 395.369 3.666 20 0 GHADHM COc1cc(C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)ccc1OC(C)C ZINC000027236719 841362828 /nfs/dbraw/zinc/36/28/28/841362828.db2.gz UAXGNSFAGMQOFA-UHFFFAOYSA-N -1 3 397.258 3.864 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000647705188 841393869 /nfs/dbraw/zinc/39/38/69/841393869.db2.gz RZTZMFLXNNWIPU-OWCLPIDISA-N -1 3 383.492 3.623 20 0 GHADHM COc1cc([C@@H](C)NC(=O)NCc2ncccc2[O-])ccc1OCCC(C)C ZINC000471658573 841415318 /nfs/dbraw/zinc/41/53/18/841415318.db2.gz MRYANKNNQBQVDU-OAHLLOKOSA-N -1 3 387.480 3.781 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000024890528 841419324 /nfs/dbraw/zinc/41/93/24/841419324.db2.gz ZHGXOPYSYDGZEO-UHFFFAOYSA-N -1 3 390.408 3.922 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000656567139 841420145 /nfs/dbraw/zinc/42/01/45/841420145.db2.gz DYQUMZHLGXFQHQ-PXAZEXFGSA-N -1 3 392.297 3.607 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CC(C)C)cs2)c1 ZINC000184073688 841494401 /nfs/dbraw/zinc/49/44/01/841494401.db2.gz TYYXNXSDKTZUKL-ZDUSSCGKSA-N -1 3 375.494 3.503 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)c2)n1 ZINC000049301862 841499185 /nfs/dbraw/zinc/49/91/85/841499185.db2.gz YJOZLNXURLOREE-HNNXBMFYSA-N -1 3 377.444 3.714 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044906875 841526940 /nfs/dbraw/zinc/52/69/40/841526940.db2.gz SIRAZKLJSUGZLR-NRFANRHFSA-N -1 3 388.467 3.809 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1)C1CCCCC1 ZINC000656625453 841602078 /nfs/dbraw/zinc/60/20/78/841602078.db2.gz DAJMRWDLNWWCPN-INIZCTEOSA-N -1 3 387.452 3.768 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000185715886 861230215 /nfs/dbraw/zinc/23/02/15/861230215.db2.gz HXMRNVZWAMDXLF-GXDHUFHOSA-N -1 3 383.245 3.867 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c2cccs2)CC1 ZINC000656849339 842004600 /nfs/dbraw/zinc/00/46/00/842004600.db2.gz VRLWMTCKNKBOKZ-SJLPKXTDSA-N -1 3 378.538 3.528 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000365251710 842147799 /nfs/dbraw/zinc/14/77/99/842147799.db2.gz DWKHUZZMNUFQRJ-ZUOKHONESA-N -1 3 382.847 3.784 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000899611080 861285021 /nfs/dbraw/zinc/28/50/21/861285021.db2.gz GJPAXVJPZJAZHO-GOSISDBHSA-N -1 3 381.350 3.571 20 0 GHADHM NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc2ccsc2[n-]1 ZINC000785068044 842237323 /nfs/dbraw/zinc/23/73/23/842237323.db2.gz KWCSGZFGSDBHJC-CYBMUJFWSA-N -1 3 382.363 3.502 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1)C(F)(F)F ZINC001211677547 842373493 /nfs/dbraw/zinc/37/34/93/842373493.db2.gz JXYLAHQVWJMTDN-IAQYHMDHSA-N -1 3 393.406 3.575 20 0 GHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000178064348 861303123 /nfs/dbraw/zinc/30/31/23/861303123.db2.gz ARLLQVTXJGTTCH-CJNGLKHVSA-N -1 3 395.322 3.695 20 0 GHADHM O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1c[n-]c2ccccc2c1=O ZINC000185768786 861311190 /nfs/dbraw/zinc/31/11/90/861311190.db2.gz OOLMKANJOAGSTD-QFIPXVFZSA-N -1 3 384.435 3.659 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1cccc(Cl)c1Cl ZINC000432274687 842466601 /nfs/dbraw/zinc/46/66/01/842466601.db2.gz MRKMGPLCFVYDNQ-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C([O-])[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000909392754 842491737 /nfs/dbraw/zinc/49/17/37/842491737.db2.gz MIRIQZUVRRJUQW-SFHVURJKSA-N -1 3 390.842 3.631 20 0 GHADHM CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000652431328 842523896 /nfs/dbraw/zinc/52/38/96/842523896.db2.gz IJUFBQMQAWVCBY-FQEVSTJZSA-N -1 3 392.927 3.826 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCCCC1 ZINC000585819583 842582320 /nfs/dbraw/zinc/58/23/20/842582320.db2.gz TVAXSZFRMSIADO-INIZCTEOSA-N -1 3 397.541 3.937 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCC(C)C ZINC000028055704 842589378 /nfs/dbraw/zinc/58/93/78/842589378.db2.gz WWOJXPMBWWCPMB-UHFFFAOYSA-N -1 3 384.723 3.826 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC000473217419 842690502 /nfs/dbraw/zinc/69/05/02/842690502.db2.gz ZNNITVMRLPZSRQ-SECBINFHSA-N -1 3 377.416 3.713 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccnn2C2CCC2)CC1 ZINC000891708764 842713987 /nfs/dbraw/zinc/71/39/87/842713987.db2.gz KELNYFUIBYGZTD-UHFFFAOYSA-N -1 3 388.899 3.818 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1c(Cl)cccc1Cl ZINC000432302665 842878181 /nfs/dbraw/zinc/87/81/81/842878181.db2.gz QXFNXIIRCXQLKN-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)cc1OC ZINC000663260770 842943904 /nfs/dbraw/zinc/94/39/04/842943904.db2.gz DOUZWEBLMSLCQC-KRWDZBQOSA-N -1 3 399.415 3.599 20 0 GHADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643212573 843029262 /nfs/dbraw/zinc/02/92/62/843029262.db2.gz VETSMJRYZVRWJI-UHFFFAOYSA-N -1 3 381.750 3.951 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185798674 843031904 /nfs/dbraw/zinc/03/19/04/843031904.db2.gz CUCIDUJEBXBLQH-MRXNPFEDSA-N -1 3 393.443 3.692 20 0 GHADHM Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001266905660 843253592 /nfs/dbraw/zinc/25/35/92/843253592.db2.gz XAHNYCRNLDXSEC-ZDUSSCGKSA-N -1 3 397.443 3.878 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cs1 ZINC000065771645 843345581 /nfs/dbraw/zinc/34/55/81/843345581.db2.gz TUEUKSRPVDMLAN-UHFFFAOYSA-N -1 3 378.413 3.646 20 0 GHADHM CCNc1nc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cs1 ZINC000432668209 843384273 /nfs/dbraw/zinc/38/42/73/843384273.db2.gz NCJNRQZNGIMMDV-CYBMUJFWSA-N -1 3 385.518 3.569 20 0 GHADHM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000094106323 843439679 /nfs/dbraw/zinc/43/96/79/843439679.db2.gz YHCGGGOVKMBSFV-UHFFFAOYSA-N -1 3 376.412 3.667 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc2ccccc2c1)c1ccc(Cl)nc1Cl ZINC000178581346 843461864 /nfs/dbraw/zinc/46/18/64/843461864.db2.gz YGSSFUOOSCCWMD-AWEZNQCLSA-N -1 3 397.283 3.554 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cnc4c(cnn4C)c3[O-])cc2)cs1 ZINC000511976001 843468121 /nfs/dbraw/zinc/46/81/21/843468121.db2.gz YBJWTHDQNKWIJH-LLVKDONJSA-N -1 3 393.472 3.597 20 0 GHADHM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1c[n-]c2ccccc2c1=O ZINC000067043647 843569879 /nfs/dbraw/zinc/56/98/79/843569879.db2.gz PIDRLQMMBQESPN-UHFFFAOYSA-N -1 3 381.395 3.514 20 0 GHADHM CCOc1ccc(C2(CNC(=O)c3cc([O-])ccc3Cl)CCOCC2)cc1 ZINC000278910231 843709846 /nfs/dbraw/zinc/70/98/46/843709846.db2.gz QPNCAMQQTHXHMS-UHFFFAOYSA-N -1 3 389.879 3.923 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(Br)c1 ZINC000471939493 843733854 /nfs/dbraw/zinc/73/38/54/843733854.db2.gz KDIIVJYWVZCQAV-UHFFFAOYSA-N -1 3 399.241 3.879 20 0 GHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1nnc(C(F)(F)F)[n-]1 ZINC000431168751 843756067 /nfs/dbraw/zinc/75/60/67/843756067.db2.gz JQAAUBNVVFMTIE-UHFFFAOYSA-N -1 3 397.582 3.811 20 0 GHADHM O=C(CCc1cc(Cl)ccc1Br)Nc1nc(C(F)(F)F)n[n-]1 ZINC000431168751 843756075 /nfs/dbraw/zinc/75/60/75/843756075.db2.gz JQAAUBNVVFMTIE-UHFFFAOYSA-N -1 3 397.582 3.811 20 0 GHADHM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432780378 843808557 /nfs/dbraw/zinc/80/85/57/843808557.db2.gz 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O=C(NCc1ccc([O-])c(Br)c1)c1cnc2ccc(F)cc2c1 ZINC000179362957 861548254 /nfs/dbraw/zinc/54/82/54/861548254.db2.gz BJARMKKVUZJBAU-UHFFFAOYSA-N -1 3 375.197 3.772 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000181688311 845271969 /nfs/dbraw/zinc/27/19/69/845271969.db2.gz RYPLWOZDYQYLHI-CQSZACIVSA-N -1 3 378.277 3.702 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC=C(c4ccncc4)C3)cc2)cc(=O)[n-]1 ZINC000513355119 845294770 /nfs/dbraw/zinc/29/47/70/845294770.db2.gz IENUQZXVIMGAQV-UHFFFAOYSA-N -1 3 387.443 3.874 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000513388138 845339212 /nfs/dbraw/zinc/33/92/12/845339212.db2.gz KEWJUUFEEALINF-STQMWFEESA-N -1 3 398.406 3.775 20 0 GHADHM CC[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCNC1=O ZINC000866863442 845511941 /nfs/dbraw/zinc/51/19/41/845511941.db2.gz ABSGCTGMWKUGIC-FQEVSTJZSA-N -1 3 381.457 3.524 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)CCNCc1c(F)ccc([O-])c1F ZINC000511009836 845515567 /nfs/dbraw/zinc/51/55/67/845515567.db2.gz GYUXJAFRKYVBSU-UHFFFAOYSA-N -1 3 399.235 3.860 20 0 GHADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000472040167 845538824 /nfs/dbraw/zinc/53/88/24/845538824.db2.gz ZTPAQCYUOIBFJL-WPRPVWTQSA-N -1 3 381.192 3.637 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1 ZINC000179434860 861580041 /nfs/dbraw/zinc/58/00/41/861580041.db2.gz HBOSXHXXLNQROS-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CO[C@H](CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C1CCCC1 ZINC000657284658 845674295 /nfs/dbraw/zinc/67/42/95/845674295.db2.gz RQZPYPKIBKAKMM-QGZVFWFLSA-N -1 3 384.505 3.878 20 0 GHADHM Cc1cccc(CCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n1 ZINC000513595857 845709832 /nfs/dbraw/zinc/70/98/32/845709832.db2.gz TYFWGYFGVAFYNQ-UHFFFAOYSA-N -1 3 377.448 3.615 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000472108178 845912060 /nfs/dbraw/zinc/91/20/60/845912060.db2.gz LZBCJNRNMDRXQT-GJZGRUSLSA-N -1 3 379.382 3.942 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000472120502 845985422 /nfs/dbraw/zinc/98/54/22/845985422.db2.gz RANRJRUHHQCPLI-OAHLLOKOSA-N -1 3 393.440 3.816 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000548648852 846062752 /nfs/dbraw/zinc/06/27/52/846062752.db2.gz CDJSYFKKCLOLRG-UHFFFAOYSA-N -1 3 397.818 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccnc(Cl)c3)c2)n1 ZINC000152057529 846179454 /nfs/dbraw/zinc/17/94/54/846179454.db2.gz NZRRQCQYFFYTTJ-VOTSOKGWSA-N -1 3 380.835 3.700 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[N-]OCCC(F)(F)F ZINC000280138582 846303655 /nfs/dbraw/zinc/30/36/55/846303655.db2.gz MEUWZKSJENJBBY-UHFFFAOYSA-N -1 3 376.375 3.966 20 0 GHADHM CCc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)sc1C ZINC000421683050 846485921 /nfs/dbraw/zinc/48/59/21/846485921.db2.gz RLOWMYKNLBGKSL-UHFFFAOYSA-N -1 3 396.232 3.814 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000277504428 846557497 /nfs/dbraw/zinc/55/74/97/846557497.db2.gz XUAQASVFGAIXFL-QGZVFWFLSA-N -1 3 383.872 3.964 20 0 GHADHM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000421927209 846690250 /nfs/dbraw/zinc/69/02/50/846690250.db2.gz RFTHDTQHCQKFNJ-HOCLYGCPSA-N -1 3 379.472 3.823 20 0 GHADHM COC(=O)[C@@H](CNC(=O)CC[C@H](C)c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422049403 846781492 /nfs/dbraw/zinc/78/14/92/846781492.db2.gz WVXVKUIKLYATFF-MAUKXSAKSA-N -1 3 387.451 3.563 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OCC(F)(F)F)cc1 ZINC000503153534 846847678 /nfs/dbraw/zinc/84/76/78/846847678.db2.gz XQQVLITYMSKRGN-VIFPVBQESA-N -1 3 382.317 3.529 20 0 GHADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000755113614 846865684 /nfs/dbraw/zinc/86/56/84/846865684.db2.gz LWYMHCQNEFUTEF-IUCAKERBSA-N -1 3 384.748 3.665 20 0 GHADHM O=C(NCc1ccc(COc2ccccc2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503180504 846886476 /nfs/dbraw/zinc/88/64/76/846886476.db2.gz OOYQBWFLECTIPK-UHFFFAOYSA-N -1 3 376.391 3.606 20 0 GHADHM COc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc(OC)c1[O-] ZINC000513767319 846941399 /nfs/dbraw/zinc/94/13/99/846941399.db2.gz HMCTWSSDRILSQD-UHFFFAOYSA-N -1 3 385.338 3.580 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCO[C@@H](C)C3)cc2)cc1 ZINC000272116182 846995493 /nfs/dbraw/zinc/99/54/93/846995493.db2.gz SCDVLNSCGAVLQW-JKSUJKDBSA-N -1 3 388.489 3.549 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCCCS2)CC1 ZINC000272974260 847219455 /nfs/dbraw/zinc/21/94/55/847219455.db2.gz SQLNWSXHUKBZDB-INIZCTEOSA-N -1 3 382.913 3.508 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000273268335 847288972 /nfs/dbraw/zinc/28/89/72/847288972.db2.gz FZRXNFZVQXPYPC-KRWDZBQOSA-N -1 3 397.456 3.980 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273384402 847322785 /nfs/dbraw/zinc/32/27/85/847322785.db2.gz FHQMOVGXNVCZQX-FZKQIMNGSA-N -1 3 385.464 3.982 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000501929349 847326841 /nfs/dbraw/zinc/32/68/41/847326841.db2.gz XAKYJJZMWCFOFK-UHFFFAOYSA-N -1 3 397.360 3.955 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)c1Cl ZINC000420760603 847410032 /nfs/dbraw/zinc/41/00/32/847410032.db2.gz JTPQMNAHWLJCAZ-UHFFFAOYSA-N -1 3 391.324 3.688 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Cc3cncc4ccccc43)nc21 ZINC000502083872 847471143 /nfs/dbraw/zinc/47/11/43/847471143.db2.gz BMXZTCQMZQQMRA-ZDUSSCGKSA-N -1 3 388.427 3.715 20 0 GHADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000191950939 861798147 /nfs/dbraw/zinc/79/81/47/861798147.db2.gz TZQTWEHLDMAMON-OXQOHEQNSA-N -1 3 398.528 3.607 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1[nH]c2ccccc2c1Cl ZINC000513732371 847533492 /nfs/dbraw/zinc/53/34/92/847533492.db2.gz GMSIHIGJEJSRNR-UHFFFAOYSA-N -1 3 389.640 3.906 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000443800225 861803969 /nfs/dbraw/zinc/80/39/69/861803969.db2.gz JPLKJJIBNYVADJ-UHFFFAOYSA-N -1 3 379.464 3.630 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000443800225 861803986 /nfs/dbraw/zinc/80/39/86/861803986.db2.gz JPLKJJIBNYVADJ-UHFFFAOYSA-N -1 3 379.464 3.630 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000422595727 847728008 /nfs/dbraw/zinc/72/80/08/847728008.db2.gz ZXLHUSATTHCDFG-SUYBPPKGSA-N -1 3 399.318 3.700 20 0 GHADHM Cc1nc(CNC(=O)c2cc(F)cc3n[n-]nc32)oc1-c1ccc(Cl)cc1 ZINC000503701345 847901419 /nfs/dbraw/zinc/90/14/19/847901419.db2.gz ZORAIPWAECMWEY-UHFFFAOYSA-N -1 3 385.786 3.644 20 0 GHADHM CCC1CCC(N(C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000555778937 861853176 /nfs/dbraw/zinc/85/31/76/861853176.db2.gz GYDSZXKTEQBIOE-UHFFFAOYSA-N -1 3 397.541 3.889 20 0 GHADHM O=C(Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1cc([O-])ccc1Cl ZINC000582731628 848197962 /nfs/dbraw/zinc/19/79/62/848197962.db2.gz LBSZPCTUDGGVMI-UHFFFAOYSA-N -1 3 392.242 3.807 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C)c2ccc(Cl)cc2)no1 ZINC000179990734 861890392 /nfs/dbraw/zinc/89/03/92/861890392.db2.gz IWLKFGSKJNFZEF-INIZCTEOSA-N -1 3 395.843 3.547 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)o1 ZINC000466540053 861919477 /nfs/dbraw/zinc/91/94/77/861919477.db2.gz DDJUBZRZNDCNBR-HNNXBMFYSA-N -1 3 388.514 3.796 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000731841804 861922115 /nfs/dbraw/zinc/92/21/15/861922115.db2.gz QHFXEHMCZITEQA-UHFFFAOYSA-N -1 3 390.439 3.809 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3C(C)C)CC2)[n-]1 ZINC000277980199 848721307 /nfs/dbraw/zinc/72/13/07/848721307.db2.gz SUYRZKSFZBTENV-UHFFFAOYSA-N -1 3 385.468 3.516 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccccc3C(C)C)CC2)n[n-]1 ZINC000277980199 848721310 /nfs/dbraw/zinc/72/13/10/848721310.db2.gz SUYRZKSFZBTENV-UHFFFAOYSA-N -1 3 385.468 3.516 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]4CCC[C@@H]43)cs2)c1 ZINC000180074696 861939105 /nfs/dbraw/zinc/93/91/05/861939105.db2.gz NUGYSKHXMGECLW-PBHICJAKSA-N -1 3 399.516 3.743 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000731915878 861957519 /nfs/dbraw/zinc/95/75/19/861957519.db2.gz MDNPWGWKLYTAFD-ZJUUUORDSA-N -1 3 383.231 3.517 20 0 GHADHM COc1ccc([C@H]2NC(C)(C)C(=O)N2c2ccccc2)c(Br)c1[O-] ZINC000666182235 848930116 /nfs/dbraw/zinc/93/01/16/848930116.db2.gz OJRTWDDFAVEWOY-INIZCTEOSA-N -1 3 391.265 3.577 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCc3sccc3C2)cc1 ZINC000278074298 849042007 /nfs/dbraw/zinc/04/20/07/849042007.db2.gz JQIZVTRIZNBZPR-AWEZNQCLSA-N -1 3 395.406 3.688 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2)c1)c1ccc(F)cc1F ZINC000056063242 849059504 /nfs/dbraw/zinc/05/95/04/849059504.db2.gz OEHLOUMLTICBNO-UHFFFAOYSA-N -1 3 376.384 3.631 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)s1 ZINC000044285436 849170677 /nfs/dbraw/zinc/17/06/77/849170677.db2.gz FZVLKFHJBPHEDK-UHFFFAOYSA-N -1 3 380.905 3.567 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000604210812 861995946 /nfs/dbraw/zinc/99/59/46/861995946.db2.gz KCGBDDJNNBPVQC-UHFFFAOYSA-N -1 3 396.501 3.547 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000146031998 849274220 /nfs/dbraw/zinc/27/42/20/849274220.db2.gz FEYCQPORTKBPJV-UHFFFAOYSA-N -1 3 383.857 3.754 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000535956863 849286745 /nfs/dbraw/zinc/28/67/45/849286745.db2.gz YMOOMUOUUFITHZ-GDBMZVCRSA-N -1 3 390.480 3.793 20 0 GHADHM CO[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCCCC1 ZINC000664447851 849779257 /nfs/dbraw/zinc/77/92/57/849779257.db2.gz NDIIDGPZFGJBQZ-IBGZPJMESA-N -1 3 384.480 3.874 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C(F)F)cc1 ZINC000583402548 849809601 /nfs/dbraw/zinc/80/96/01/849809601.db2.gz KIEJURXIQPTDCP-MRXNPFEDSA-N -1 3 383.416 3.983 20 0 GHADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503985739 849819220 /nfs/dbraw/zinc/81/92/20/849819220.db2.gz KJMKYWXUDGDXLN-UHFFFAOYSA-N -1 3 388.252 3.552 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(Br)cc2F)nnn1-c1ccccc1 ZINC000443879551 862091087 /nfs/dbraw/zinc/09/10/87/862091087.db2.gz CVVHKQRWFVZUJK-UHFFFAOYSA-N -1 3 393.191 3.869 20 0 GHADHM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000509597065 850114648 /nfs/dbraw/zinc/11/46/48/850114648.db2.gz XONDTZKKFHICNX-MRXNPFEDSA-N -1 3 382.288 3.840 20 0 GHADHM Cc1csc(Sc2ccc([N-]S(=O)(=O)CCOCC3CC3)cc2)n1 ZINC000424068697 850184535 /nfs/dbraw/zinc/18/45/35/850184535.db2.gz SOEZEQDSHUDJLH-UHFFFAOYSA-N -1 3 384.548 3.771 20 0 GHADHM COCc1cc(Cl)ccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000424081354 850192748 /nfs/dbraw/zinc/19/27/48/850192748.db2.gz JSOXQDAEMFAWQN-UGSOOPFHSA-N -1 3 385.913 3.624 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000908593367 850204082 /nfs/dbraw/zinc/20/40/82/850204082.db2.gz LLASQNSSQUVIGT-NRFANRHFSA-N -1 3 396.487 3.627 20 0 GHADHM CC(C)CCn1ncc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1C(C)C ZINC000486885429 850218382 /nfs/dbraw/zinc/21/83/82/850218382.db2.gz KHBMZPLAZZHUHC-UHFFFAOYSA-N -1 3 383.452 3.580 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C ZINC000032094505 850229474 /nfs/dbraw/zinc/22/94/74/850229474.db2.gz MMUTYRIFPBURLO-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM Cc1cccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000041779465 850257022 /nfs/dbraw/zinc/25/70/22/850257022.db2.gz LBCLGFBASIFYLK-UHFFFAOYSA-N -1 3 387.288 3.609 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000514820522 850324460 /nfs/dbraw/zinc/32/44/60/850324460.db2.gz NITRQVVFCKBXFO-UHFFFAOYSA-N -1 3 381.226 3.529 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908754876 850332272 /nfs/dbraw/zinc/33/22/72/850332272.db2.gz WFIMCJUNRZUXDO-NHCUHLMSSA-N -1 3 397.519 3.594 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807043 850373587 /nfs/dbraw/zinc/37/35/87/850373587.db2.gz SFQAGQRHDHQNAW-ROUUACIJSA-N -1 3 389.521 3.598 20 0 GHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCc3noc(C)n3)cc2)CC)n1 ZINC000435335646 850385315 /nfs/dbraw/zinc/38/53/15/850385315.db2.gz JZRQRJDDUWYGMZ-LFIBNONCSA-N -1 3 380.448 3.943 20 0 GHADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000481722313 862130169 /nfs/dbraw/zinc/13/01/69/862130169.db2.gz XYIZETFAYAOHAH-MSOLQXFVSA-N -1 3 399.491 3.552 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908898621 850464728 /nfs/dbraw/zinc/46/47/28/850464728.db2.gz MFOWICQYGSQYHS-NHCUHLMSSA-N -1 3 395.503 3.599 20 0 GHADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)cn21 ZINC000435437740 850525355 /nfs/dbraw/zinc/52/53/55/850525355.db2.gz MBHCVHGHFRALFF-UHFFFAOYSA-N -1 3 388.251 3.567 20 0 GHADHM COc1cc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)cc(OC)c1[O-] ZINC000487202570 850558833 /nfs/dbraw/zinc/55/88/33/850558833.db2.gz NGZZONFOHZODDI-UHFFFAOYSA-N -1 3 391.414 3.929 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)cc1C ZINC000435480139 850560583 /nfs/dbraw/zinc/56/05/83/850560583.db2.gz NMXPDHSXCRJRIB-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM CCCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1ccc(F)cc1 ZINC000505090323 850597770 /nfs/dbraw/zinc/59/77/70/850597770.db2.gz BKOLDBVODALIBL-UHFFFAOYSA-N -1 3 382.374 3.627 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccccc3NC(C)=O)c2)n1 ZINC000435569380 850654552 /nfs/dbraw/zinc/65/45/52/850654552.db2.gz RSTGKACGUSZWOL-UHFFFAOYSA-N -1 3 390.443 3.551 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])cc1 ZINC000909248895 850660196 /nfs/dbraw/zinc/66/01/96/850660196.db2.gz BHJRWBIIWCKPCR-NRFANRHFSA-N -1 3 380.488 3.579 20 0 GHADHM CC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000487312215 850683227 /nfs/dbraw/zinc/68/32/27/850683227.db2.gz GQPKQZUXEUZNPP-UHFFFAOYSA-N -1 3 381.201 3.818 20 0 GHADHM Cc1cc(C)cc([C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1 ZINC000909791218 850791259 /nfs/dbraw/zinc/79/12/59/850791259.db2.gz FCJUWDLYQQFXAA-WIYYLYMNSA-N -1 3 398.478 3.597 20 0 GHADHM Cc1nc2cc(Br)cc([N-]C(=O)c3ncoc3[C@@H]3CCCO3)c2o1 ZINC001269744513 850812573 /nfs/dbraw/zinc/81/25/73/850812573.db2.gz HROUEYBQLOTUQG-LBPRGKRZSA-N -1 3 392.209 3.991 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)cc2)CC1 ZINC000909842303 850819822 /nfs/dbraw/zinc/81/98/22/850819822.db2.gz YADZEVXJUHLRPK-KRWDZBQOSA-N -1 3 395.503 3.657 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCCN2C2CCCC2)[nH][n-]1 ZINC000440135739 850822020 /nfs/dbraw/zinc/82/20/20/850822020.db2.gz VIHFUWCBZAVFHH-KRWDZBQOSA-N -1 3 388.899 3.506 20 0 GHADHM CC[C@](C)(OC)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000435753674 850834364 /nfs/dbraw/zinc/83/43/64/850834364.db2.gz AUGLLRALMDPUCJ-HNNXBMFYSA-N -1 3 386.677 3.668 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC([C@H]4CCCCO4)CC3)cc2)cc(=O)[n-]1 ZINC000664408377 850874240 /nfs/dbraw/zinc/87/42/40/850874240.db2.gz JXBIKPOLCNOFFZ-HXUWFJFHSA-N -1 3 396.491 3.971 20 0 GHADHM COC(=O)c1ccc(-c2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)[n-]1 ZINC000426610670 850945546 /nfs/dbraw/zinc/94/55/46/850945546.db2.gz FUJMBSBLEJKODQ-UHFFFAOYSA-N -1 3 377.322 3.950 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc(F)cc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000785395462 850973809 /nfs/dbraw/zinc/97/38/09/850973809.db2.gz CLTYKGWADKHLNQ-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)N2CCCC2)cc1 ZINC000522619084 862193005 /nfs/dbraw/zinc/19/30/05/862193005.db2.gz ABJYEHKMTURSCG-INIZCTEOSA-N -1 3 387.553 3.525 20 0 GHADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000910243270 851083629 /nfs/dbraw/zinc/08/36/29/851083629.db2.gz XSVJPXUBOSXRIA-WBVHZDCISA-N -1 3 398.425 3.556 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000434427715 851092273 /nfs/dbraw/zinc/09/22/73/851092273.db2.gz DWDXTHLKAQLDGU-SNVBAGLBSA-N -1 3 381.192 3.639 20 0 GHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000519476637 851111935 /nfs/dbraw/zinc/11/19/35/851111935.db2.gz HQODQWJKEYCWNP-UHFFFAOYSA-N -1 3 397.500 3.886 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC2CCCC2)nc1)c1cccc(Cl)c1F ZINC000515516207 851115290 /nfs/dbraw/zinc/11/52/90/851115290.db2.gz SIVWTSMPZIBZEH-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1[O-] ZINC000163865339 851182857 /nfs/dbraw/zinc/18/28/57/851182857.db2.gz LWCBNJYAIPCVSS-CQSZACIVSA-N -1 3 378.428 3.962 20 0 GHADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C2 ZINC000910423413 851198221 /nfs/dbraw/zinc/19/82/21/851198221.db2.gz YCMFVSPURYNHCV-UHFFFAOYSA-N -1 3 387.461 3.849 20 0 GHADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000436096428 851214826 /nfs/dbraw/zinc/21/48/26/851214826.db2.gz FQZPLUYSNZAZSN-HNNXBMFYSA-N -1 3 391.349 3.694 20 0 GHADHM C[C@@H](C[N-]C(=O)C(F)(F)c1ncccc1Br)CC(F)(F)F ZINC000910438304 851215822 /nfs/dbraw/zinc/21/58/22/851215822.db2.gz JPWRGCWSSJRYBH-SSDOTTSWSA-N -1 3 375.135 3.641 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000515631916 851274596 /nfs/dbraw/zinc/27/45/96/851274596.db2.gz FKPCGMGLMCDLOD-UHFFFAOYSA-N -1 3 389.452 3.847 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000436165097 851279557 /nfs/dbraw/zinc/27/95/57/851279557.db2.gz MYNKXRSEAWSWRZ-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ncccc1[O-] ZINC000473632112 851312858 /nfs/dbraw/zinc/31/28/58/851312858.db2.gz XHRUHVKLAALPOO-UHFFFAOYSA-N -1 3 389.864 3.715 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(F)(F)F ZINC000443944046 862230312 /nfs/dbraw/zinc/23/03/12/862230312.db2.gz OYDVDIWVAZEEGJ-BONVTDFDSA-N -1 3 376.400 3.905 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000473646725 851380903 /nfs/dbraw/zinc/38/09/03/851380903.db2.gz FFFULFBWUGZBLS-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000473646725 851380913 /nfs/dbraw/zinc/38/09/13/851380913.db2.gz FFFULFBWUGZBLS-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOc3ccc(F)cc3)c2)n1 ZINC000049304470 851648846 /nfs/dbraw/zinc/64/88/46/851648846.db2.gz WGAXVVBYAHJBMF-UHFFFAOYSA-N -1 3 395.434 3.936 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1csc(C2CCCCC2)n1 ZINC000911286203 851677206 /nfs/dbraw/zinc/67/72/06/851677206.db2.gz RAUYUTWNQMFKJB-MRXNPFEDSA-N -1 3 393.553 3.592 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000911431437 851729398 /nfs/dbraw/zinc/72/93/98/851729398.db2.gz UXLJZSZNVKNHIO-GJYPPUQNSA-N -1 3 398.528 3.502 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000111658902 851856774 /nfs/dbraw/zinc/85/67/74/851856774.db2.gz OMXKBZHFZFXFDU-NSHDSACASA-N -1 3 380.366 3.730 20 0 GHADHM Cc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Br)c1 ZINC000132853315 862297308 /nfs/dbraw/zinc/29/73/08/862297308.db2.gz ZHDXKQVZJRZPHM-SNVBAGLBSA-N -1 3 391.225 3.542 20 0 GHADHM CCc1oc(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)cc1C(=O)OC ZINC000517396511 851919120 /nfs/dbraw/zinc/91/91/20/851919120.db2.gz DJWQTMPUMJLBJE-UHFFFAOYSA-N -1 3 385.445 3.789 20 0 GHADHM Cc1ccncc1N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436512983 852002305 /nfs/dbraw/zinc/00/23/05/852002305.db2.gz LRZWJJNXHHQUDD-UHFFFAOYSA-N -1 3 387.483 3.649 20 0 GHADHM Oc1ccc(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cc1 ZINC000436523483 852014260 /nfs/dbraw/zinc/01/42/60/852014260.db2.gz TUOMXLFTNMGAGB-UHFFFAOYSA-N -1 3 398.220 3.581 20 0 GHADHM CC(C)c1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000436526499 852016444 /nfs/dbraw/zinc/01/64/44/852016444.db2.gz GAIDECFWCPIGPC-UHFFFAOYSA-N -1 3 380.488 3.798 20 0 GHADHM COc1ccc(I)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436546843 852032343 /nfs/dbraw/zinc/03/23/43/852032343.db2.gz WDKFYYJLIRAUBY-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM COc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c([O-])c1 ZINC000436546101 852034163 /nfs/dbraw/zinc/03/41/63/852034163.db2.gz SUUDUGHOHBMTJB-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000180748575 862313881 /nfs/dbraw/zinc/31/38/81/862313881.db2.gz WVRCWMXCYAVCOK-GDBMZVCRSA-N -1 3 391.798 3.566 20 0 GHADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000436564586 852067933 /nfs/dbraw/zinc/06/79/33/852067933.db2.gz KVCSGHLGPCCMGP-HNNXBMFYSA-N -1 3 392.455 3.663 20 0 GHADHM C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436592697 852078540 /nfs/dbraw/zinc/07/85/40/852078540.db2.gz XWUYMGQEVFYVRC-AWEZNQCLSA-N -1 3 389.293 3.674 20 0 GHADHM CN(Cc1ccccc1NC(=O)c1ccccc1[O-])C(=O)c1ccccc1O ZINC000436581554 852089329 /nfs/dbraw/zinc/08/93/29/852089329.db2.gz IZTAVDKJMLWQHY-UHFFFAOYSA-N -1 3 376.412 3.622 20 0 GHADHM CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cccc(C)c2[O-])ccn1 ZINC000436581155 852090460 /nfs/dbraw/zinc/09/04/60/852090460.db2.gz YUUVTOQTBZCOAM-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436583938 852091667 /nfs/dbraw/zinc/09/16/67/852091667.db2.gz IAXKBTANLJEBTG-RYTUXRKISA-N -1 3 385.529 3.793 20 0 GHADHM CC1(C)CCCc2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])nc21 ZINC000436603028 852101695 /nfs/dbraw/zinc/10/16/95/852101695.db2.gz LEDUWJLEZAZDNL-AWEZNQCLSA-N -1 3 399.516 3.706 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000436612964 852112696 /nfs/dbraw/zinc/11/26/96/852112696.db2.gz ZIYCMKHPRFARPY-LLVKDONJSA-N -1 3 380.366 3.730 20 0 GHADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000156013127 852116586 /nfs/dbraw/zinc/11/65/86/852116586.db2.gz BKLMJQBCMFHDGA-QGZVFWFLSA-N -1 3 397.866 3.714 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436617579 852118501 /nfs/dbraw/zinc/11/85/01/852118501.db2.gz OLBVVOHFXJYSOD-LJQANCHMSA-N -1 3 384.451 3.575 20 0 GHADHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000517586403 852137010 /nfs/dbraw/zinc/13/70/10/852137010.db2.gz FNNNOMIUMIJIDB-SNVBAGLBSA-N -1 3 385.744 3.800 20 0 GHADHM NC(=O)C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436680289 852188726 /nfs/dbraw/zinc/18/87/26/852188726.db2.gz NMZTVIDUOARROE-LJQANCHMSA-N -1 3 376.412 3.531 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000516141058 852199123 /nfs/dbraw/zinc/19/91/23/852199123.db2.gz VJPKTVCIAAWBAR-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])cc1OC ZINC000436689505 852199945 /nfs/dbraw/zinc/19/99/45/852199945.db2.gz RRIFTNYRYPRDKS-INIZCTEOSA-N -1 3 385.460 3.743 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2ccccc2NC(C)(C)C)[nH][n-]1 ZINC000436694351 852207938 /nfs/dbraw/zinc/20/79/38/852207938.db2.gz YNXXHFXHHRPKOE-UHFFFAOYSA-N -1 3 391.475 3.595 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc(C)c1OC(F)F ZINC000436694761 852207964 /nfs/dbraw/zinc/20/79/64/852207964.db2.gz JBCFJAKUUYYZQA-UHFFFAOYSA-N -1 3 390.430 3.568 20 0 GHADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436695598 852210489 /nfs/dbraw/zinc/21/04/89/852210489.db2.gz FYYAEEHIBJONRM-FQEVSTJZSA-N -1 3 394.515 3.752 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000516151849 852214961 /nfs/dbraw/zinc/21/49/61/852214961.db2.gz RIVTXTXQIDJVAG-RLLQIKCJSA-N -1 3 396.491 3.705 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000436698222 852215044 /nfs/dbraw/zinc/21/50/44/852215044.db2.gz PFEWTFZXENJYIQ-HXUWFJFHSA-N -1 3 394.515 3.708 20 0 GHADHM CC(C)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCCC1 ZINC000112289055 852223721 /nfs/dbraw/zinc/22/37/21/852223721.db2.gz UHLMIULEPSOUSD-UHFFFAOYSA-N -1 3 393.484 3.748 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(c2nc(-c3ccccc3F)cs2)CC1 ZINC000436710476 852232024 /nfs/dbraw/zinc/23/20/24/852232024.db2.gz UTMOXFHVGYFXKB-UHFFFAOYSA-N -1 3 383.448 3.617 20 0 GHADHM Cc1c(NC(=O)c2cccc(C)c2[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000436712589 852235123 /nfs/dbraw/zinc/23/51/23/852235123.db2.gz OKVLWSUVYSGEAI-UHFFFAOYSA-N -1 3 390.365 3.920 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000473847067 852259711 /nfs/dbraw/zinc/25/97/11/852259711.db2.gz LOJXJQSBOHZPGQ-IBGZPJMESA-N -1 3 378.432 3.688 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000473848467 852264022 /nfs/dbraw/zinc/26/40/22/852264022.db2.gz HWIPSTCXJYMRPN-OAHLLOKOSA-N -1 3 395.381 3.543 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000473848465 852264314 /nfs/dbraw/zinc/26/43/14/852264314.db2.gz HWIPSTCXJYMRPN-HNNXBMFYSA-N -1 3 395.381 3.543 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000473849274 852264431 /nfs/dbraw/zinc/26/44/31/852264431.db2.gz KCPGJSBQLJUJNQ-OAQYLSRUSA-N -1 3 399.454 3.788 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000473848530 852265232 /nfs/dbraw/zinc/26/52/32/852265232.db2.gz IGJKMGJMLFHCLW-GOSISDBHSA-N -1 3 395.846 3.820 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3C(=O)c3ccccc3)nc21 ZINC000438351887 852278472 /nfs/dbraw/zinc/27/84/72/852278472.db2.gz GLBLXGXYCCKXCZ-UHFFFAOYSA-N -1 3 399.406 3.833 20 0 GHADHM COc1cc(Br)c(CN[C@H](C)CCC[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000426699754 852282522 /nfs/dbraw/zinc/28/25/22/852282522.db2.gz LXXDMCQSECPZJY-VXGBXAGGSA-N -1 3 388.302 3.835 20 0 GHADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(C(=O)N2CCCC2)cc1OC ZINC000436761363 852283214 /nfs/dbraw/zinc/28/32/14/852283214.db2.gz YQFCSVPEVXVDPZ-UHFFFAOYSA-N -1 3 398.459 3.515 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436752019 852294302 /nfs/dbraw/zinc/29/43/02/852294302.db2.gz WJYJUUBOZBLUKY-QGZVFWFLSA-N -1 3 381.476 3.683 20 0 GHADHM COc1c(Br)cccc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000426718359 852303445 /nfs/dbraw/zinc/30/34/45/852303445.db2.gz BAPYPJJVJZCLMW-INIZCTEOSA-N -1 3 378.266 3.990 20 0 GHADHM COCCSc1ccc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436772578 852305312 /nfs/dbraw/zinc/30/53/12/852305312.db2.gz OGQSSJCNPPYJJR-ZDUSSCGKSA-N -1 3 391.489 3.639 20 0 GHADHM Cn1c(CN[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])nc2ccccc21 ZINC000426719295 852306194 /nfs/dbraw/zinc/30/61/94/852306194.db2.gz FQVKJPAUEYLYRS-OAHLLOKOSA-N -1 3 378.259 3.666 20 0 GHADHM CC(=O)Nc1ccc2nc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)sc2c1 ZINC000436777997 852311343 /nfs/dbraw/zinc/31/13/43/852311343.db2.gz PAYSZHGFXWVAHR-UHFFFAOYSA-N -1 3 397.456 3.926 20 0 GHADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cccc(Cl)c1Cl ZINC000426733373 852330363 /nfs/dbraw/zinc/33/03/63/852330363.db2.gz XUSFUQFRQUWIIC-MRXNPFEDSA-N -1 3 379.287 3.989 20 0 GHADHM CC1([C@@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C(=O)[O-])CCCCC1 ZINC000426737890 852335708 /nfs/dbraw/zinc/33/57/08/852335708.db2.gz RBYBCXCBDCFFMN-INIZCTEOSA-N -1 3 380.851 3.573 20 0 GHADHM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(O)cc3[O-])c2)c1 ZINC000436794653 852352609 /nfs/dbraw/zinc/35/26/09/852352609.db2.gz CMCUTTSVBZQFFC-UHFFFAOYSA-N -1 3 391.427 3.980 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000426774536 852380160 /nfs/dbraw/zinc/38/01/60/852380160.db2.gz PCSYCUJARXCFJD-NHCUHLMSSA-N -1 3 385.460 3.559 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(F)c(Br)c2)c1 ZINC000426781104 852386597 /nfs/dbraw/zinc/38/65/97/852386597.db2.gz YJMWBRKEWKREBD-INIZCTEOSA-N -1 3 382.229 3.902 20 0 GHADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1N1CCCC1=O ZINC000436824240 852393020 /nfs/dbraw/zinc/39/30/20/852393020.db2.gz GAIFCWQZDIDQHJ-UHFFFAOYSA-N -1 3 380.444 3.659 20 0 GHADHM O=C([O-])[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1 ZINC000426808235 852396070 /nfs/dbraw/zinc/39/60/70/852396070.db2.gz QRYGJZGKEXNLRU-KRWDZBQOSA-N -1 3 386.249 3.755 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436892165 852464996 /nfs/dbraw/zinc/46/49/96/852464996.db2.gz IDFPFQXGBGZYPJ-VOJFVSQTSA-N -1 3 376.840 3.510 20 0 GHADHM COc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1OCc1cccnc1 ZINC000436913132 852479859 /nfs/dbraw/zinc/47/98/59/852479859.db2.gz ZBNHXMFZDCKPSZ-UHFFFAOYSA-N -1 3 380.400 3.636 20 0 GHADHM NC(=O)c1cccc(Cc2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)c1 ZINC000436916620 852496919 /nfs/dbraw/zinc/49/69/19/852496919.db2.gz AMNTZSYFZHWXLT-UHFFFAOYSA-N -1 3 385.423 3.723 20 0 GHADHM CCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000438516135 852501687 /nfs/dbraw/zinc/50/16/87/852501687.db2.gz JNAMLWRDCAXXMV-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM CN(CC1CCCC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436934511 852517767 /nfs/dbraw/zinc/51/77/67/852517767.db2.gz SWJQXBIACWFCKB-NRFANRHFSA-N -1 3 380.488 3.902 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c([O-])c1 ZINC000436939456 852522059 /nfs/dbraw/zinc/52/20/59/852522059.db2.gz OFVSUPQNLNLWNK-SFHVURJKSA-N -1 3 380.488 3.848 20 0 GHADHM O=C(COc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1)N1CCCC1 ZINC000436946977 852528756 /nfs/dbraw/zinc/52/87/56/852528756.db2.gz CVBOGLIMMXZEFK-UHFFFAOYSA-N -1 3 394.471 3.525 20 0 GHADHM CCCCc1ccc(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436949399 852530531 /nfs/dbraw/zinc/53/05/31/852530531.db2.gz XFLVSTDENZZJHR-UHFFFAOYSA-N -1 3 394.515 3.698 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@H](C)c2ccccc2)c1 ZINC000436957481 852548012 /nfs/dbraw/zinc/54/80/12/852548012.db2.gz VNTHYWNWMKCDER-AWEZNQCLSA-N -1 3 393.443 3.865 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)c([O-])c1 ZINC000436970983 852551723 /nfs/dbraw/zinc/55/17/23/852551723.db2.gz HZXQJCLAJBURLE-UHFFFAOYSA-N -1 3 375.421 3.531 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000436988130 852576223 /nfs/dbraw/zinc/57/62/23/852576223.db2.gz LAXMJBUUZLXEDH-UHFFFAOYSA-N -1 3 377.481 3.765 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1c[n-]c2ccccc2c1=O ZINC000507140320 852588179 /nfs/dbraw/zinc/58/81/79/852588179.db2.gz CNOJFWVRWUZQTQ-UHFFFAOYSA-N -1 3 391.408 3.633 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000436984876 852593231 /nfs/dbraw/zinc/59/32/31/852593231.db2.gz NUDKVCFBKQFKCR-MRXNPFEDSA-N -1 3 377.481 3.765 20 0 GHADHM CCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC000031885823 852600284 /nfs/dbraw/zinc/60/02/84/852600284.db2.gz IJRLFMMDQFRONE-SFHVURJKSA-N -1 3 392.496 3.784 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N(C)C)cc1 ZINC000489945546 852689718 /nfs/dbraw/zinc/68/97/18/852689718.db2.gz JGYIIDKSUYCWGG-INIZCTEOSA-N -1 3 396.409 3.629 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000507245934 852713757 /nfs/dbraw/zinc/71/37/57/852713757.db2.gz FQUAYAQMLADTOR-UHFFFAOYSA-N -1 3 377.282 3.697 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)CCCCC1 ZINC000427194087 852844104 /nfs/dbraw/zinc/84/41/04/852844104.db2.gz XMQJAJCACCAYMM-UHFFFAOYSA-N -1 3 392.477 3.515 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1 ZINC000490268806 852883653 /nfs/dbraw/zinc/88/36/53/852883653.db2.gz HOBMQDOSPICEOV-UHFFFAOYSA-N -1 3 379.294 3.722 20 0 GHADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000507473829 852946262 /nfs/dbraw/zinc/94/62/62/852946262.db2.gz BUSRPWDSMIDMLA-KOLCDFICSA-N -1 3 387.324 3.507 20 0 GHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473857483 852954697 /nfs/dbraw/zinc/95/46/97/852954697.db2.gz RYEOBEFRAGNALM-XJKSGUPXSA-N -1 3 392.297 3.653 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1 ZINC000481862927 862420570 /nfs/dbraw/zinc/42/05/70/862420570.db2.gz LKFHVZUGUXLNRD-OAHLLOKOSA-N -1 3 393.509 3.529 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC ZINC000507617676 853113421 /nfs/dbraw/zinc/11/34/21/853113421.db2.gz PQNPQDOCBRSYRC-UHFFFAOYSA-N -1 3 393.505 3.837 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)CCCC(C)(C)C)c2ccc(Cl)cc2)no1 ZINC000516895850 853135207 /nfs/dbraw/zinc/13/52/07/853135207.db2.gz QOOCTICMZAKIKF-OAHLLOKOSA-N -1 3 385.917 3.867 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)CCc2cccs2)c(OCC(F)(F)F)c1 ZINC000518268558 853142228 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O=C(NCC1CCC(c2ccccc2)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000518655577 853613378 /nfs/dbraw/zinc/61/33/78/853613378.db2.gz SDULKHJDRIRETR-UHFFFAOYSA-N -1 3 377.444 3.666 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2cnc(-c3ccccc3F)s2)n[nH]1 ZINC000518682726 853631973 /nfs/dbraw/zinc/63/19/73/853631973.db2.gz HJTBKLCSNSQDOG-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1 ZINC000518710719 853673657 /nfs/dbraw/zinc/67/36/57/853673657.db2.gz UMPNKNDMLMFAOZ-UHFFFAOYSA-N -1 3 393.505 3.828 20 0 GHADHM CC(C)c1ccc([C@@H](N)CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000414999842 853708879 /nfs/dbraw/zinc/70/88/79/853708879.db2.gz WKBOAVKEMKGMIC-HNNXBMFYSA-N -1 3 387.534 3.633 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(Br)cc2)c(=O)[n-]1 ZINC000520003228 853727768 /nfs/dbraw/zinc/72/77/68/853727768.db2.gz BODADRHKUSISTB-UHFFFAOYSA-N -1 3 392.297 3.546 20 0 GHADHM CO[C@](C)(c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000571103461 853744357 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3.864 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473912588 854252377 /nfs/dbraw/zinc/25/23/77/854252377.db2.gz LAJHDFCSJOCLJB-MRXNPFEDSA-N -1 3 399.454 3.864 20 0 GHADHM Cc1csc([C@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)n1 ZINC001143582161 854318369 /nfs/dbraw/zinc/31/83/69/854318369.db2.gz KHXQGOLFLVEAEG-VIFPVBQESA-N -1 3 392.278 3.547 20 0 GHADHM COc1ccc(C(NCc2cc(=O)[n-]c(C3CC3)n2)c2ccc(OC)cc2)cc1 ZINC000669283202 854371391 /nfs/dbraw/zinc/37/13/91/854371391.db2.gz IWKAESCAZLHRHN-UHFFFAOYSA-N -1 3 391.471 3.956 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000133505098 862576634 /nfs/dbraw/zinc/57/66/34/862576634.db2.gz DTWIGPZECYPIAK-NWDGAFQWSA-N -1 3 377.282 3.941 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330630744 854713150 /nfs/dbraw/zinc/71/31/50/854713150.db2.gz OTQQTYTYLFMQQA-DGCLKSJQSA-N -1 3 396.734 3.584 20 0 GHADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCC(F)(F)F ZINC000010316215 854756388 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ZINC000132188091 855398095 /nfs/dbraw/zinc/39/80/95/855398095.db2.gz QMMMXVCWTJLCGH-GJZGRUSLSA-N -1 3 390.480 3.745 20 0 GHADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000028577406 855423859 /nfs/dbraw/zinc/42/38/59/855423859.db2.gz RXHYAKZGJRCHJP-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cscn1 ZINC000572956705 855465955 /nfs/dbraw/zinc/46/59/55/855465955.db2.gz HSGIBYFJKSFUES-ZDUSSCGKSA-N -1 3 395.506 3.762 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000056409892 855541416 /nfs/dbraw/zinc/54/14/16/855541416.db2.gz HABMCXAFLAEFFO-UHFFFAOYSA-N -1 3 383.473 3.625 20 0 GHADHM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC000590750010 855562740 /nfs/dbraw/zinc/56/27/40/855562740.db2.gz MFNPEWGLKZLFRP-ZDUSSCGKSA-N -1 3 387.910 3.620 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1F ZINC000542758784 855660463 /nfs/dbraw/zinc/66/04/63/855660463.db2.gz KTBUYEFYDWCCON-HOCLYGCPSA-N -1 3 387.835 3.817 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1C ZINC000573004257 855685189 /nfs/dbraw/zinc/68/51/89/855685189.db2.gz USVCSJDSTKDIQV-WFASDCNBSA-N -1 3 382.382 3.547 20 0 GHADHM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000108091470 855703704 /nfs/dbraw/zinc/70/37/04/855703704.db2.gz ZZRRQIUXBFHPQS-UHFFFAOYSA-N -1 3 380.488 3.812 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000520582048 855706615 /nfs/dbraw/zinc/70/66/15/855706615.db2.gz KYWNFSGGFVEKKB-KPFFTGBYSA-N -1 3 386.536 3.833 20 0 GHADHM CC(C)(C)c1nc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])cs1 ZINC000417608711 855716222 /nfs/dbraw/zinc/71/62/22/855716222.db2.gz PESSYSMOTKVEIP-CQSZACIVSA-N -1 3 397.338 3.989 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@H](Cc3cc(F)c(F)c(F)c3)C(=O)[O-])sc2C1 ZINC000417640145 855786956 /nfs/dbraw/zinc/78/69/56/855786956.db2.gz WIZXZDLIOVZYRV-JQWIXIFHSA-N -1 3 398.450 3.718 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(Cl)s2)n1 ZINC000591175261 855790323 /nfs/dbraw/zinc/79/03/23/855790323.db2.gz NEAKVXAERJETNM-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(Cl)s2)n1 ZINC000591175261 855790330 /nfs/dbraw/zinc/79/03/30/855790330.db2.gz NEAKVXAERJETNM-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM CCN(CCc1cccs1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482140974 862726715 /nfs/dbraw/zinc/72/67/15/862726715.db2.gz LPUPVKFTIFBVDW-UHFFFAOYSA-N -1 3 393.310 3.677 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1ccc(Cl)cc1F ZINC000614629365 855848006 /nfs/dbraw/zinc/84/80/06/855848006.db2.gz PPHZLNWKYBWQPP-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCc4ccccc4N3)cc2)cc(=O)[n-]1 ZINC000591399769 855981282 /nfs/dbraw/zinc/98/12/82/855981282.db2.gz IPTNKVISQFFZHS-SFHVURJKSA-N -1 3 389.459 3.706 20 0 GHADHM O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591445365 855992198 /nfs/dbraw/zinc/99/21/98/855992198.db2.gz UWRBEFMZIDWJGS-QGZVFWFLSA-N -1 3 396.855 3.805 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)CCCCCc2ccc(O)cc2)[nH][n-]1 ZINC000591448765 855993100 /nfs/dbraw/zinc/99/31/00/855993100.db2.gz JBWGAIIVOIEZFU-UHFFFAOYSA-N -1 3 379.460 3.954 20 0 GHADHM CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000028271445 855994177 /nfs/dbraw/zinc/99/41/77/855994177.db2.gz FCXZNGSXBYKGOW-ZDUSSCGKSA-N -1 3 376.478 3.789 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000591434552 856006692 /nfs/dbraw/zinc/00/66/92/856006692.db2.gz BXRYNSDATRVFFD-IBGZPJMESA-N -1 3 376.456 3.845 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000591434553 856007153 /nfs/dbraw/zinc/00/71/53/856007153.db2.gz BXRYNSDATRVFFD-LJQANCHMSA-N -1 3 376.456 3.845 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000485080836 856079824 /nfs/dbraw/zinc/07/98/24/856079824.db2.gz SABUCIGUFNVYEL-UHFFFAOYSA-N -1 3 388.489 3.797 20 0 GHADHM CCO[C@H](C)c1nc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cs1 ZINC000485091424 856089567 /nfs/dbraw/zinc/08/95/67/856089567.db2.gz JJUVFQVSIDSCKY-LLVKDONJSA-N -1 3 397.460 3.953 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000485099736 856091146 /nfs/dbraw/zinc/09/11/46/856091146.db2.gz UPFZZYJJCFOGHS-UHFFFAOYSA-N -1 3 387.399 3.597 20 0 GHADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)CNc2ccc(C)cc2C)c1 ZINC000058079246 856107038 /nfs/dbraw/zinc/10/70/38/856107038.db2.gz VTECKHRYINWYIS-UHFFFAOYSA-N -1 3 377.897 3.552 20 0 GHADHM COc1cccc(CO[C@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485109810 856122235 /nfs/dbraw/zinc/12/22/35/856122235.db2.gz UAFNRJJQZUBOCN-CYBMUJFWSA-N -1 3 392.415 3.770 20 0 GHADHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc([O-])cc(Br)c1 ZINC000624302697 856245412 /nfs/dbraw/zinc/24/54/12/856245412.db2.gz HFIYEQQLHZMNSM-QGZVFWFLSA-N -1 3 392.249 3.965 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccc(F)c1 ZINC000045932439 856269267 /nfs/dbraw/zinc/26/92/67/856269267.db2.gz HZGRXOBUNOKWIE-UHFFFAOYSA-N -1 3 396.459 3.708 20 0 GHADHM COc1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(C(F)(F)F)cc2)cc1 ZINC000485262303 856277003 /nfs/dbraw/zinc/27/70/03/856277003.db2.gz SSGBGSKJTGCZAF-QGZVFWFLSA-N -1 3 399.376 3.955 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(Cl)c1F ZINC000520740077 856285963 /nfs/dbraw/zinc/28/59/63/856285963.db2.gz VNPVEOIYHRNMEK-PBHICJAKSA-N -1 3 387.835 3.817 20 0 GHADHM CCOc1ccc(OCCN[C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000905402080 856303515 /nfs/dbraw/zinc/30/35/15/856303515.db2.gz WXQBXAGBYKWJRE-QGZVFWFLSA-N -1 3 394.265 3.642 20 0 GHADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172001399 856319727 /nfs/dbraw/zinc/31/97/27/856319727.db2.gz KGHYVIHOGOJSAK-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3cc(-c4ccccc4)no3)n2)C[C@@H](C)O1 ZINC000041793935 856326717 /nfs/dbraw/zinc/32/67/17/856326717.db2.gz TXVDZOMZBOGKSX-ZIAGYGMSSA-N -1 3 398.488 3.660 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)cc2)no1 ZINC000485397187 856442697 /nfs/dbraw/zinc/44/26/97/856442697.db2.gz SFBYEFOTMOHIPA-UHFFFAOYSA-N -1 3 391.424 3.514 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)ccc1C ZINC000172351395 856470315 /nfs/dbraw/zinc/47/03/15/856470315.db2.gz FYSMNVSJWPBVDG-UHFFFAOYSA-N -1 3 387.505 3.663 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482201590 862800387 /nfs/dbraw/zinc/80/03/87/862800387.db2.gz RWJYOZJJCAJRCB-AWEZNQCLSA-N -1 3 397.342 3.658 20 0 GHADHM Cc1ccc(C(=O)C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)cc1 ZINC000427669936 856523588 /nfs/dbraw/zinc/52/35/88/856523588.db2.gz BVTTYCZHHKXPTI-UHFFFAOYSA-N -1 3 375.178 3.827 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000487403342 856523867 /nfs/dbraw/zinc/52/38/67/856523867.db2.gz SANCDZGGBODQLT-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000181236810 862806658 /nfs/dbraw/zinc/80/66/58/862806658.db2.gz FGLXZLCPTGEKRN-UHFFFAOYSA-N -1 3 393.774 3.513 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000044260137 856638660 /nfs/dbraw/zinc/63/86/60/856638660.db2.gz NCSFILLXVHLPDH-UHFFFAOYSA-N -1 3 376.331 3.604 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(OC(F)(F)F)cc3)no1)OCO2 ZINC000436885850 856668178 /nfs/dbraw/zinc/66/81/78/856668178.db2.gz FKVMCYIXBXUIIS-UHFFFAOYSA-N -1 3 380.278 3.660 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1cccc(-c2ccccc2)c1 ZINC000507932345 856710052 /nfs/dbraw/zinc/71/00/52/856710052.db2.gz DBLMICBFJFSDHI-UHFFFAOYSA-N -1 3 381.453 3.932 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnnn1-c1ccccc1Cl ZINC000674744266 856758590 /nfs/dbraw/zinc/75/85/90/856758590.db2.gz BIRVZXIYLHXKIB-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2cc(Br)ccc2o1 ZINC000046674567 856896540 /nfs/dbraw/zinc/89/65/40/856896540.db2.gz HBGPRCCIIULFKP-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2cc(Br)ccc2o1 ZINC000046674567 856896550 /nfs/dbraw/zinc/89/65/50/856896550.db2.gz HBGPRCCIIULFKP-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508112815 856900913 /nfs/dbraw/zinc/90/09/13/856900913.db2.gz OCXJUUIHMHMLSO-MRXNPFEDSA-N -1 3 384.379 3.758 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485668401 856904055 /nfs/dbraw/zinc/90/40/55/856904055.db2.gz LXAYSCSWTIKPDQ-CVEARBPZSA-N -1 3 385.464 3.680 20 0 GHADHM CCCCc1nc(NC(=O)CCc2ccc3[nH]ccc3c2)c(C(=O)OCC)[n-]1 ZINC000485695009 856936892 /nfs/dbraw/zinc/93/68/92/856936892.db2.gz BATDGVVDYGUKFN-UHFFFAOYSA-N -1 3 382.464 3.982 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc(-c3ccco3)s2)c(C(=O)OCC)[n-]1 ZINC000485710766 856965630 /nfs/dbraw/zinc/96/56/30/856965630.db2.gz PBTSTJUDJLTFRJ-UHFFFAOYSA-N -1 3 388.449 3.898 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1sc2ccc(C)cc2c1C ZINC000485758584 857030687 /nfs/dbraw/zinc/03/06/87/857030687.db2.gz MPLMPANQFDATMU-UHFFFAOYSA-N -1 3 386.429 3.672 20 0 GHADHM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl ZINC000508207058 857042420 /nfs/dbraw/zinc/04/24/20/857042420.db2.gz JDQYYVQKVIMXGN-UHFFFAOYSA-N -1 3 399.097 3.599 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000056409748 857048975 /nfs/dbraw/zinc/04/89/75/857048975.db2.gz JCHNMEPYTKTCGZ-AWEZNQCLSA-N -1 3 376.478 3.588 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(C2CCCC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000592821596 857103881 /nfs/dbraw/zinc/10/38/81/857103881.db2.gz DXLWZDXJFVMCDZ-LLVKDONJSA-N -1 3 397.755 3.942 20 0 GHADHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000675334875 857151959 /nfs/dbraw/zinc/15/19/59/857151959.db2.gz GVRLXYGJTHEULT-RYUDHWBXSA-N -1 3 386.926 3.557 20 0 GHADHM CC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(OC)cc1 ZINC000181447466 862884748 /nfs/dbraw/zinc/88/47/48/862884748.db2.gz JTBFNGSEIDTSPD-HNNXBMFYSA-N -1 3 378.266 3.973 20 0 GHADHM Cc1cccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1F ZINC000485951002 857242640 /nfs/dbraw/zinc/24/26/40/857242640.db2.gz LJGHTFMOEFXNMP-UHFFFAOYSA-N -1 3 377.379 3.641 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000605257538 862891034 /nfs/dbraw/zinc/89/10/34/862891034.db2.gz LSEAUZDUYPUZBM-UHFFFAOYSA-N -1 3 375.425 3.601 20 0 GHADHM O=C(OCc1ccc(F)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332115 857303330 /nfs/dbraw/zinc/30/33/30/857303330.db2.gz NNJBKSXMILXPHA-INIZCTEOSA-N -1 3 377.799 3.533 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000059424020 862900651 /nfs/dbraw/zinc/90/06/51/862900651.db2.gz QMFKTRLKEMHYKP-UHFFFAOYSA-N -1 3 397.456 3.525 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-c3ccccn3)nc2)c(C(=O)OCC)[n-]1 ZINC000593140156 857361758 /nfs/dbraw/zinc/36/17/58/857361758.db2.gz WEPRDNCTZXGYJC-UHFFFAOYSA-N -1 3 393.447 3.638 20 0 GHADHM CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000428237945 857370100 /nfs/dbraw/zinc/37/01/00/857370100.db2.gz KSDSQLICSDLRGL-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3I)no2)nc1 ZINC001212557974 857370886 /nfs/dbraw/zinc/37/08/86/857370886.db2.gz LAIJREDEPHJSQT-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM Cc1cnc(C(C)(C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000906927226 857394035 /nfs/dbraw/zinc/39/40/35/857394035.db2.gz CEHKRKJMBXWTQD-UHFFFAOYSA-N -1 3 382.511 3.920 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)N(C)C)cc1 ZINC000060321559 857422239 /nfs/dbraw/zinc/42/22/39/857422239.db2.gz WWSFFASEVCDVHW-GFCCVEGCSA-N -1 3 393.361 3.945 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000486245936 857592643 /nfs/dbraw/zinc/59/26/43/857592643.db2.gz ZDVLPURIFQFEOV-UHFFFAOYSA-N -1 3 379.787 3.846 20 0 GHADHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000442235881 857663768 /nfs/dbraw/zinc/66/37/68/857663768.db2.gz KVZOKUMAWSJKIH-UHFFFAOYSA-N -1 3 391.251 3.635 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000605319597 862941947 /nfs/dbraw/zinc/94/19/47/862941947.db2.gz DFQFWQGKZBIKMM-AWEZNQCLSA-N -1 3 395.349 3.650 20 0 GHADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)C(=O)c1ccccc1 ZINC000676056109 857720016 /nfs/dbraw/zinc/72/00/16/857720016.db2.gz WEUXHEYJFXPHHB-GFCCVEGCSA-N -1 3 376.250 3.680 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000605320764 862943300 /nfs/dbraw/zinc/94/33/00/862943300.db2.gz VZWYNBWOTILVTL-ABAIWWIYSA-N -1 3 397.434 3.964 20 0 GHADHM CN(C(=O)CN1CCC[C@@H](CC(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000676232589 857797228 /nfs/dbraw/zinc/79/72/28/857797228.db2.gz DHRLKIRFHSYNEO-GAJHUEQPSA-N -1 3 398.478 3.560 20 0 GHADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000672889529 857835125 /nfs/dbraw/zinc/83/51/25/857835125.db2.gz IQMBFJWRHWQQBW-UHFFFAOYSA-N -1 3 378.185 3.598 20 0 GHADHM Cc1noc(C)c1COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000046452037 857882710 /nfs/dbraw/zinc/88/27/10/857882710.db2.gz OTOUZKNGOUIJTR-HXUWFJFHSA-N -1 3 394.427 3.602 20 0 GHADHM CCCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000908090868 857914000 /nfs/dbraw/zinc/91/40/00/857914000.db2.gz GWHYHYZAZIOXJS-RTWAWAEBSA-N -1 3 386.536 3.781 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3cccc(F)c3)no2)cc1 ZINC000109606969 857924816 /nfs/dbraw/zinc/92/48/16/857924816.db2.gz SAXXFDSGDHTOGX-UHFFFAOYSA-N -1 3 391.424 3.605 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000067509775 858036279 /nfs/dbraw/zinc/03/62/79/858036279.db2.gz NAFPFZHSJHHVJJ-UHFFFAOYSA-N -1 3 392.455 3.524 20 0 GHADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccc(OCC(F)(F)F)nc1 ZINC000521502762 858073007 /nfs/dbraw/zinc/07/30/07/858073007.db2.gz CORBWEIAYSTDDG-UHFFFAOYSA-N -1 3 384.738 3.616 20 0 GHADHM CC(C)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)c(Cl)c1 ZINC000078549458 858096861 /nfs/dbraw/zinc/09/68/61/858096861.db2.gz SWHUUZPSPNQLIZ-UHFFFAOYSA-N -1 3 391.254 3.585 20 0 GHADHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442745421 858106960 /nfs/dbraw/zinc/10/69/60/858106960.db2.gz WFGIYUPMWAPPJZ-CQSZACIVSA-N -1 3 397.518 3.671 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000158019349 858108942 /nfs/dbraw/zinc/10/89/42/858108942.db2.gz XFBMLQXEAAXQCA-IBGZPJMESA-N -1 3 386.879 3.643 20 0 GHADHM O=S(=O)([N-]CCCCc1ccc(F)c(F)c1)c1cnccc1C(F)(F)F ZINC000442754634 858112920 /nfs/dbraw/zinc/11/29/20/858112920.db2.gz QOILLRFTXIFELG-UHFFFAOYSA-N -1 3 394.365 3.680 20 0 GHADHM CCc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000574670871 858113285 /nfs/dbraw/zinc/11/32/85/858113285.db2.gz JVOQDPJDHLJLJW-UHFFFAOYSA-N -1 3 392.424 3.953 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCCC1)c1cnccc1C(F)(F)F ZINC000442806014 858130660 /nfs/dbraw/zinc/13/06/60/858130660.db2.gz AWWGYRBAROOJKA-UHFFFAOYSA-N -1 3 388.386 3.987 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(Cl)ccc21)c1cnccc1C(F)(F)F ZINC000442811797 858155033 /nfs/dbraw/zinc/15/50/33/858155033.db2.gz POVLABWCHYLZBG-ZDUSSCGKSA-N -1 3 376.787 3.720 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C(=O)OC(C)(C)C)C(C)C)nc2)n1 ZINC000594595900 858216823 /nfs/dbraw/zinc/21/68/23/858216823.db2.gz LHQOVHKEYOFQIP-MRXNPFEDSA-N -1 3 386.496 3.832 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442906782 858231522 /nfs/dbraw/zinc/23/15/22/858231522.db2.gz YBMGPYMIGOAOBK-UHFFFAOYSA-N -1 3 398.328 3.640 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000066782401 858296722 /nfs/dbraw/zinc/29/67/22/858296722.db2.gz CRLBFZSFKUOPHZ-UHFFFAOYSA-N -1 3 375.453 3.890 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1oc2ccccc2c1C ZINC000443009963 858309088 /nfs/dbraw/zinc/30/90/88/858309088.db2.gz DPWFIZJNROJFIQ-GFCCVEGCSA-N -1 3 391.420 3.706 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(C)C)c1cccs1 ZINC000443031368 858320091 /nfs/dbraw/zinc/32/00/91/858320091.db2.gz WORPKDXJGTYBNM-AWEZNQCLSA-N -1 3 385.482 3.740 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC000443107310 858363816 /nfs/dbraw/zinc/36/38/16/858363816.db2.gz YLCUUXIRJTYXNB-GFCCVEGCSA-N -1 3 393.486 3.581 20 0 GHADHM COc1cc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc(Cl)c1[O-] ZINC000443119594 858385832 /nfs/dbraw/zinc/38/58/32/858385832.db2.gz ZCIQQTHKBTZAMJ-UHFFFAOYSA-N -1 3 381.885 3.530 20 0 GHADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccn1 ZINC000010557675 858386529 /nfs/dbraw/zinc/38/65/29/858386529.db2.gz FAFKASNVNJIBBO-CQSZACIVSA-N -1 3 399.447 3.513 20 0 GHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)no1 ZINC000443161331 858414948 /nfs/dbraw/zinc/41/49/48/858414948.db2.gz SRZJYAUUTCBFFK-UHFFFAOYSA-N -1 3 379.869 3.652 20 0 GHADHM CCC1(CC)CCC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC001271100479 858497937 /nfs/dbraw/zinc/49/79/37/858497937.db2.gz CCOCSLNWEVZXIY-UHFFFAOYSA-N -1 3 398.544 3.991 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)Oc3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000466198873 858673052 /nfs/dbraw/zinc/67/30/52/858673052.db2.gz USJYNJUAIAHAAV-ZDUSSCGKSA-N -1 3 396.422 3.886 20 0 GHADHM CCCc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C(C)C)cc1 ZINC000482648469 858721906 /nfs/dbraw/zinc/72/19/06/858721906.db2.gz RBNSUOIWKSTWMF-OAHLLOKOSA-N -1 3 383.418 3.973 20 0 GHADHM COc1cccc(CSC[C@H](NCc2ccc(F)c(F)c2F)C(=O)[O-])c1 ZINC000596022764 858745575 /nfs/dbraw/zinc/74/55/75/858745575.db2.gz WKBDSVAYGQCXAG-HNNXBMFYSA-N -1 3 385.407 3.589 20 0 GHADHM COc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OCc1ccncc1 ZINC000665342083 858803673 /nfs/dbraw/zinc/80/36/73/858803673.db2.gz PMHRRPOWFQCXQT-UHFFFAOYSA-N -1 3 384.476 3.746 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(N(C)c3ccccc3)cc2)[n-]1 ZINC000895238292 858848683 /nfs/dbraw/zinc/84/86/83/858848683.db2.gz XGIHETMIZFVVGP-OAHLLOKOSA-N -1 3 379.464 3.600 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H](O)Cc2ccccc2)c1Cl ZINC000443513285 858860190 /nfs/dbraw/zinc/86/01/90/858860190.db2.gz VKKIMCFQMJLIJM-SWLSCSKDSA-N -1 3 388.316 3.572 20 0 GHADHM C[C@H](NCc1nnn(-c2ccccc2)c1C1CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901877243 858866669 /nfs/dbraw/zinc/86/66/69/858866669.db2.gz VVLKNQYAAVTEDK-JXFKEZNVSA-N -1 3 390.487 3.566 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000729538271 858877332 /nfs/dbraw/zinc/87/73/32/858877332.db2.gz OEVMCOWNZJLFNG-HNNXBMFYSA-N -1 3 376.497 3.845 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2ccccc2C)cc1OC ZINC000116177861 858879504 /nfs/dbraw/zinc/87/95/04/858879504.db2.gz SMUYKZKVTYWBSI-OAHLLOKOSA-N -1 3 390.505 3.898 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C ZINC000184281655 858906360 /nfs/dbraw/zinc/90/63/60/858906360.db2.gz PNXHIBRGJBCVPK-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C(=O)OC(C)(C)C)C3CCC3)nc2)n1 ZINC000596574446 858943510 /nfs/dbraw/zinc/94/35/10/858943510.db2.gz HVZNFROCXWZHPU-KRWDZBQOSA-N -1 3 398.507 3.977 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(Sc2ccccc2)CCCC1 ZINC000483012115 859074879 /nfs/dbraw/zinc/07/48/79/859074879.db2.gz FGJXXVODVMMMAT-UHFFFAOYSA-N -1 3 399.442 3.728 20 0 GHADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000185451607 859084181 /nfs/dbraw/zinc/08/41/81/859084181.db2.gz WJESNCKDGPQMGR-CYBMUJFWSA-N -1 3 396.418 3.580 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C ZINC000185614016 859102876 /nfs/dbraw/zinc/10/28/76/859102876.db2.gz KCVGCLMHXZGEMU-NTZNESFSSA-N -1 3 377.282 3.845 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000483096792 859134392 /nfs/dbraw/zinc/13/43/92/859134392.db2.gz KVCLFIDMUNTWTK-DYLAAIIWSA-N -1 3 387.793 3.673 20 0 GHADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000888434354 859187771 /nfs/dbraw/zinc/18/77/71/859187771.db2.gz QAUVZFLLIQIJIL-UHFFFAOYSA-N -1 3 394.500 3.959 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1C(F)(F)F ZINC000499712594 859190714 /nfs/dbraw/zinc/19/07/14/859190714.db2.gz WBMLSNKMARMIIC-VIFPVBQESA-N -1 3 375.334 3.948 20 0 GHADHM C=Cc1ccc(CCNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000428288546 859254162 /nfs/dbraw/zinc/25/41/62/859254162.db2.gz QHROCZOACMPCDH-UHFFFAOYSA-N -1 3 391.427 3.556 20 0 GHADHM Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2c(C)cccc2[O-])c1C ZINC000625969616 859258344 /nfs/dbraw/zinc/25/83/44/859258344.db2.gz MGFOAVZQHYIRBE-GOSISDBHSA-N -1 3 396.487 3.577 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3Cc4ccc(C)cc4C3)nc(=O)c2c1C ZINC000483330557 859302040 /nfs/dbraw/zinc/30/20/40/859302040.db2.gz LNNMUSBBFMOKMC-ZDUSSCGKSA-N -1 3 397.500 3.855 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000923467667 859343384 /nfs/dbraw/zinc/34/33/84/859343384.db2.gz LJOBUSBHZGXKNP-QHCPKHFHSA-N -1 3 380.488 3.793 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000923468818 859345958 /nfs/dbraw/zinc/34/59/58/859345958.db2.gz FIWKLRBTMFEKQL-NFBKMPQASA-N -1 3 396.487 3.952 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2)c1 ZINC000923529203 859397262 /nfs/dbraw/zinc/39/72/62/859397262.db2.gz LYIWTQHATZVRHL-LEWJYISDSA-N -1 3 394.471 3.768 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000117421997 859449227 /nfs/dbraw/zinc/44/92/27/859449227.db2.gz FVSWBCZMRITFOP-UHFFFAOYSA-N -1 3 386.407 3.710 20 0 GHADHM COc1ccc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)[n-]c(=O)c2c1 ZINC000069579285 859579080 /nfs/dbraw/zinc/57/90/80/859579080.db2.gz ILCKIOQXYGFQGA-UHFFFAOYSA-N -1 3 389.386 3.990 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1 ZINC000125970948 859600887 /nfs/dbraw/zinc/60/08/87/859600887.db2.gz GEYVGXPPLMTGHE-UHFFFAOYSA-N -1 3 387.505 3.606 20 0 GHADHM CC(C)Sc1ccccc1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507115 859634748 /nfs/dbraw/zinc/63/47/48/859634748.db2.gz JGPQPEFKQJRGOV-KBPBESRZSA-N -1 3 387.505 3.681 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1[O-] ZINC000673527015 859679078 /nfs/dbraw/zinc/67/90/78/859679078.db2.gz GTPKDBQFIGVZRZ-UHFFFAOYSA-N -1 3 388.786 3.529 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)c2ccco2)cc1 ZINC001212184472 859680375 /nfs/dbraw/zinc/68/03/75/859680375.db2.gz JJXPCEUYHOUKSK-IBGZPJMESA-N -1 3 393.411 3.943 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466480799 859687872 /nfs/dbraw/zinc/68/78/72/859687872.db2.gz HOSBDCDSMJPJMU-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM C[C@H](CCC(=O)Nc1ccc(Br)cc1[O-])NC(=O)OC(C)(C)C ZINC000765215500 859843288 /nfs/dbraw/zinc/84/32/88/859843288.db2.gz WFJLLXGLXFFMTB-SNVBAGLBSA-N -1 3 387.274 3.787 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000474339999 859899976 /nfs/dbraw/zinc/89/99/76/859899976.db2.gz YPSOKUGFDAKFLU-UHFFFAOYSA-N -1 3 386.408 3.791 20 0 GHADHM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000765312402 859901603 /nfs/dbraw/zinc/90/16/03/859901603.db2.gz XGEVXUJFSAGQLS-IAGOWNOFSA-N -1 3 384.348 3.757 20 0 GHADHM COc1cccc([C@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000484238796 859906589 /nfs/dbraw/zinc/90/65/89/859906589.db2.gz AECJBSAKOFJZEA-GOSISDBHSA-N -1 3 384.382 3.792 20 0 GHADHM CCOc1ccccc1[C@@](N)(C(=O)Nc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000484263251 859914108 /nfs/dbraw/zinc/91/41/08/859914108.db2.gz STXINIFMNTVCJG-MRXNPFEDSA-N -1 3 388.773 3.799 20 0 GHADHM CCOc1ccccc1[C@](N)(C(=O)Nc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000484263250 859914559 /nfs/dbraw/zinc/91/45/59/859914559.db2.gz STXINIFMNTVCJG-INIZCTEOSA-N -1 3 388.773 3.799 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000517046611 859950619 /nfs/dbraw/zinc/95/06/19/859950619.db2.gz CUSIOOPRJAEYQT-CQSZACIVSA-N -1 3 383.469 3.830 20 0 GHADHM O=S(=O)([N-][C@H]1CC=CCC1)c1cc(Br)ccc1Br ZINC000096731378 859972674 /nfs/dbraw/zinc/97/26/74/859972674.db2.gz ZRHBEVOSRPLFQD-JTQLQIEISA-N -1 3 395.116 3.599 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436541772 860032654 /nfs/dbraw/zinc/03/26/54/860032654.db2.gz ZYSRTJVPWOJKJS-CQSZACIVSA-N -1 3 396.443 3.696 20 0 GHADHM CO[C@@H](CNCc1ccc(Br)cc1Oc1ccc(C)cc1)C(=O)[O-] ZINC000904032629 860050725 /nfs/dbraw/zinc/05/07/25/860050725.db2.gz UMLZXNBEIURYKI-KRWDZBQOSA-N -1 3 394.265 3.739 20 0 GHADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1F ZINC000727360525 860053492 /nfs/dbraw/zinc/05/34/92/860053492.db2.gz FUEJJMBUOTUJOW-UHFFFAOYSA-N -1 3 396.440 3.840 20 0 GHADHM CSC[C@H](NCc1c(Cl)n(Cc2ccccc2)nc1C(C)C)C(=O)[O-] ZINC000904040318 860059309 /nfs/dbraw/zinc/05/93/09/860059309.db2.gz MJZUCYAQHMVYHK-HNNXBMFYSA-N -1 3 381.929 3.614 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000904025434 860067424 /nfs/dbraw/zinc/06/74/24/860067424.db2.gz GTYBRVFJORNYRL-OAHLLOKOSA-N -1 3 383.414 3.930 20 0 GHADHM Cc1c([C@@H](NCc2ccc(OCc3ccc(C)cc3)cc2)C(=O)[O-])cnn1C ZINC000904047113 860092125 /nfs/dbraw/zinc/09/21/25/860092125.db2.gz BLTQDFCCNBEPNX-OAQYLSRUSA-N -1 3 379.460 3.531 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc2)CC1 ZINC000474435142 860093403 /nfs/dbraw/zinc/09/34/03/860093403.db2.gz MIWCGNZIGBPIAV-UHFFFAOYSA-N -1 3 391.874 3.967 20 0 GHADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H]1CCO[C@](C)(C(=O)[O-])C1 ZINC000904070786 860095392 /nfs/dbraw/zinc/09/53/92/860095392.db2.gz ZOWVMKQGMLWTHH-XOBRGWDASA-N -1 3 391.899 3.761 20 0 GHADHM C/C(=C/c1ccccc1)CN[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000904072101 860097079 /nfs/dbraw/zinc/09/70/79/860097079.db2.gz TVQGWSKNCHXZRO-KZRJAQGSSA-N -1 3 394.515 3.516 20 0 GHADHM COc1cncc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)c1C ZINC000904072380 860097860 /nfs/dbraw/zinc/09/78/60/860097860.db2.gz GNHAQPNZLJQGHM-INIZCTEOSA-N -1 3 393.281 3.857 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000673563564 860112265 /nfs/dbraw/zinc/11/22/65/860112265.db2.gz FOEMMARIURASRJ-UHFFFAOYSA-N -1 3 391.880 3.626 20 0 GHADHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC(=O)NC(C)(C)C ZINC000015812612 860143291 /nfs/dbraw/zinc/14/32/91/860143291.db2.gz GQEREGJTHZSHRB-VIFPVBQESA-N -1 3 397.501 3.526 20 0 GHADHM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000471624902 860146679 /nfs/dbraw/zinc/14/66/79/860146679.db2.gz AXLSNTPLRFQKCI-UHFFFAOYSA-N -1 3 398.484 3.665 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(C)c3C(F)F)nc(=O)c2c1C ZINC000727569351 860148136 /nfs/dbraw/zinc/14/81/36/860148136.db2.gz ZKHAQECNXUNYIK-SSDOTTSWSA-N -1 3 382.392 3.603 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1F ZINC000526868189 860161408 /nfs/dbraw/zinc/16/14/08/860161408.db2.gz QUKCFZDVGAPGEY-UHFFFAOYSA-N -1 3 392.430 3.591 20 0 GHADHM Nc1cc(CCCNC(=O)c2cc([O-])c3ccccc3c2)nn1-c1ccccc1 ZINC000527164093 860169830 /nfs/dbraw/zinc/16/98/30/860169830.db2.gz YCKHCZZLGSTYGC-UHFFFAOYSA-N -1 3 386.455 3.676 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000527459973 860180640 /nfs/dbraw/zinc/18/06/40/860180640.db2.gz XJLYCRWRVKSSCG-UHFFFAOYSA-N -1 3 379.431 3.894 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443741666 860221805 /nfs/dbraw/zinc/22/18/05/860221805.db2.gz FMXHJHNFEWDVHS-UHFFFAOYSA-N -1 3 396.818 3.950 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904195103 860223723 /nfs/dbraw/zinc/22/37/23/860223723.db2.gz JFRQLLAAUPWNEO-ZWKOTPCHSA-N -1 3 378.513 3.606 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@H](CN3CCCC3)c3ccccc3)o2)CC1 ZINC000904206066 860234190 /nfs/dbraw/zinc/23/41/90/860234190.db2.gz YKISHKDGEMMGAU-OAQYLSRUSA-N -1 3 397.519 3.507 20 0 GHADHM CCC[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H](O)c1ccccc1 ZINC000904235188 860273744 /nfs/dbraw/zinc/27/37/44/860273744.db2.gz FLWFVHFODMACCE-FPOVZHCZSA-N -1 3 386.492 3.573 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000728016696 860353411 /nfs/dbraw/zinc/35/34/11/860353411.db2.gz REGGFBIULJTCNK-UHFFFAOYSA-N -1 3 392.496 3.662 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000474563035 860354363 /nfs/dbraw/zinc/35/43/63/860354363.db2.gz BGJVFWGBERECIN-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000436571581 860367989 /nfs/dbraw/zinc/36/79/89/860367989.db2.gz WJPUTWDBZGXLAQ-UHFFFAOYSA-N -1 3 375.371 3.984 20 0 GHADHM Cc1ccc(OC[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000765709286 860431281 /nfs/dbraw/zinc/43/12/81/860431281.db2.gz NHYPRTJTVLMHFV-CYBMUJFWSA-N -1 3 393.281 3.730 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2oc(-c3ccccc3)nc2C)n[nH]1 ZINC000155485693 860523683 /nfs/dbraw/zinc/52/36/83/860523683.db2.gz DYTFYXSHQSGNAZ-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(OCC(=O)N(C)C)c1 ZINC000471855497 860540580 /nfs/dbraw/zinc/54/05/80/860540580.db2.gz FYTDLXPMQIDYTC-UHFFFAOYSA-N -1 3 378.428 3.573 20 0 GHADHM COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)cc(OC)c1[O-] ZINC000484983214 860572106 /nfs/dbraw/zinc/57/21/06/860572106.db2.gz IKCHVHFUUKCVJM-UHFFFAOYSA-N -1 3 383.400 3.551 20 0 GHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293701 881574948 /nfs/dbraw/zinc/57/49/48/881574948.db2.gz VOSSAXUTGRYDBQ-SECBINFHSA-N -1 3 390.768 3.811 20 0 GHADHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176437580 860876178 /nfs/dbraw/zinc/87/61/78/860876178.db2.gz FHCCXXOMXNRDPX-AWEZNQCLSA-N -1 3 397.294 3.609 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000125266687 860988965 /nfs/dbraw/zinc/98/89/65/860988965.db2.gz RAONRHHSVHYSGG-UHFFFAOYSA-N -1 3 399.458 3.709 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000125266687 860988981 /nfs/dbraw/zinc/98/89/81/860988981.db2.gz RAONRHHSVHYSGG-UHFFFAOYSA-N -1 3 399.458 3.709 20 0 GHADHM C[C@H](OC(=O)c1cccc(Br)c1[O-])c1nc(-c2cccnc2)no1 ZINC000730366944 861076849 /nfs/dbraw/zinc/07/68/49/861076849.db2.gz ZAYXKNRPEYVTCQ-VIFPVBQESA-N -1 3 390.193 3.518 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCc2ccccc2C1 ZINC000605502008 863080922 /nfs/dbraw/zinc/08/09/22/863080922.db2.gz IAUHOCGWHAISDT-LBPRGKRZSA-N -1 3 375.266 3.540 20 0 GHADHM Cc1sc(CC[N-]S(=O)(=O)c2cccnc2Cl)nc1-c1ccccc1 ZINC000760591974 863165594 /nfs/dbraw/zinc/16/55/94/863165594.db2.gz JSQDHDCXXKLBHD-UHFFFAOYSA-N -1 3 393.921 3.688 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)CCCc1ccccc1 ZINC000733798421 863190955 /nfs/dbraw/zinc/19/09/55/863190955.db2.gz VYQWUHASTCKXJI-UHFFFAOYSA-N -1 3 383.945 3.709 20 0 GHADHM CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)c1ccccc1[O-] ZINC000120617998 881641432 /nfs/dbraw/zinc/64/14/32/881641432.db2.gz IQXQLPJOQSMFMC-UHFFFAOYSA-N -1 3 379.416 3.562 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000230406200 863407537 /nfs/dbraw/zinc/40/75/37/863407537.db2.gz RDUXDLZYLALZJG-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)[C@H](Oc1cccc([O-])c1I)C(=O)OC(C)(C)C ZINC001227383158 863509071 /nfs/dbraw/zinc/50/90/71/863509071.db2.gz ZMVROGLZHLEYDK-ZDUSSCGKSA-N -1 3 392.233 3.742 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)cc1Cl ZINC000062553926 863554205 /nfs/dbraw/zinc/55/42/05/863554205.db2.gz VTLVQRIJECSDFV-CQSZACIVSA-N -1 3 380.897 3.674 20 0 GHADHM Cc1nc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC000606537359 863694114 /nfs/dbraw/zinc/69/41/14/863694114.db2.gz HGYCTMJFKMRTFN-UHFFFAOYSA-N -1 3 395.221 3.657 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000444233968 863716775 /nfs/dbraw/zinc/71/67/75/863716775.db2.gz FTCQKMRFXIFGNF-UHFFFAOYSA-N -1 3 395.293 3.607 20 0 GHADHM COc1cccc(Oc2ccc(CNC(=O)NCc3ccc([O-])c(F)c3)cn2)c1 ZINC000606637081 863727742 /nfs/dbraw/zinc/72/77/42/863727742.db2.gz SRDOJTXQMWGJGE-UHFFFAOYSA-N -1 3 397.406 3.727 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1OCC ZINC000606620238 863739420 /nfs/dbraw/zinc/73/94/20/863739420.db2.gz PAPKGQAXNFMBBF-CYBMUJFWSA-N -1 3 376.428 3.889 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC4CC3(C)C4)c2)cc1 ZINC000621208377 863870889 /nfs/dbraw/zinc/87/08/89/863870889.db2.gz CCABBLBOJVKHBU-UHFFFAOYSA-N -1 3 384.501 3.729 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(=O)C(C)(C)C)cc1 ZINC000733924570 863881439 /nfs/dbraw/zinc/88/14/39/863881439.db2.gz VPTCBCMODSFBRF-UHFFFAOYSA-N -1 3 388.489 3.658 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1cccc(C)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000572591918 863882943 /nfs/dbraw/zinc/88/29/43/863882943.db2.gz BVJVGFFXCDSUIS-ZDUSSCGKSA-N -1 3 394.830 3.647 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCCC1 ZINC000606904330 863928270 /nfs/dbraw/zinc/92/82/70/863928270.db2.gz WIOXSBBQKYVDSD-UHFFFAOYSA-N -1 3 398.878 3.902 20 0 GHADHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000734021690 863929750 /nfs/dbraw/zinc/92/97/50/863929750.db2.gz AKBJGCWJGXJOQH-MRXNPFEDSA-N -1 3 375.749 3.734 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccc(OCC(F)(F)F)n1 ZINC000606930702 863954128 /nfs/dbraw/zinc/95/41/28/863954128.db2.gz ANLKPUGNXKFBKQ-UHFFFAOYSA-N -1 3 396.756 3.740 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2c[nH]c3ccc(Cl)cc23)[nH][n-]1 ZINC000606931248 863955834 /nfs/dbraw/zinc/95/58/34/863955834.db2.gz OGGATJNPJVQWBU-UHFFFAOYSA-N -1 3 380.835 3.823 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000172888222 864060437 /nfs/dbraw/zinc/06/04/37/864060437.db2.gz AGERQZDHFOKREW-UHFFFAOYSA-N -1 3 380.441 3.836 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000480127717 864108246 /nfs/dbraw/zinc/10/82/46/864108246.db2.gz XTZOPNXGNPVCCV-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](C)[C@@H]3C)c2)cc1 ZINC000480141139 864156729 /nfs/dbraw/zinc/15/67/29/864156729.db2.gz BQRROVABWSOXEM-RDJZCZTQSA-N -1 3 386.517 3.975 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc(C)cc1C ZINC000071965982 864223306 /nfs/dbraw/zinc/22/33/06/864223306.db2.gz KLYSNZZRDFKPGD-UHFFFAOYSA-N -1 3 385.489 3.723 20 0 GHADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)[N-]OCc1ccc(F)cc1 ZINC000184230527 864229964 /nfs/dbraw/zinc/22/99/64/864229964.db2.gz ICAYXNPCHJCZIK-UHFFFAOYSA-N -1 3 376.334 3.940 20 0 GHADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1nc(C)ccc1[O-] ZINC000475140338 864284362 /nfs/dbraw/zinc/28/43/62/864284362.db2.gz QCJUYPCOUKIZAY-HNNXBMFYSA-N -1 3 383.275 3.666 20 0 GHADHM COCCOC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000063181565 864301251 /nfs/dbraw/zinc/30/12/51/864301251.db2.gz LMOFIXILXNWWTF-UHFFFAOYSA-N -1 3 392.477 3.608 20 0 GHADHM CCC(CC)C(=O)N1CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621674436 864344651 /nfs/dbraw/zinc/34/46/51/864344651.db2.gz SUSCFXBIECZMKL-UHFFFAOYSA-N -1 3 386.414 3.568 20 0 GHADHM O=S(=O)([N-][C@@H](Cn1cccn1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000607362652 864345358 /nfs/dbraw/zinc/34/53/58/864345358.db2.gz CUCUPSIJSNLOPD-INIZCTEOSA-N -1 3 396.299 3.910 20 0 GHADHM O=S(=O)([N-][C@@H](Cn1cccn1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000607362904 864345548 /nfs/dbraw/zinc/34/55/48/864345548.db2.gz LWKVUOVOIWGCDD-HNNXBMFYSA-N -1 3 396.299 3.910 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000120786618 881754662 /nfs/dbraw/zinc/75/46/62/881754662.db2.gz DYRASJATENUAPH-GJZGRUSLSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000120786618 881754667 /nfs/dbraw/zinc/75/46/67/881754667.db2.gz DYRASJATENUAPH-GJZGRUSLSA-N -1 3 387.365 3.552 20 0 GHADHM CCCCCC(=O)NC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621807828 864449871 /nfs/dbraw/zinc/44/98/71/864449871.db2.gz ORHHHFFVAVHPDI-UHFFFAOYSA-N -1 3 386.414 3.712 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000734789428 864453956 /nfs/dbraw/zinc/45/39/56/864453956.db2.gz SJMZQQPFNHZQKV-OAHLLOKOSA-N -1 3 396.528 3.555 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000554525303 864503278 /nfs/dbraw/zinc/50/32/78/864503278.db2.gz WGPBNMJNQKWYIT-NRFANRHFSA-N -1 3 386.455 3.836 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc2ncccc2c1 ZINC000607614368 864558091 /nfs/dbraw/zinc/55/80/91/864558091.db2.gz BRTWTNUBROLLSC-LJQANCHMSA-N -1 3 394.456 3.763 20 0 GHADHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)sc1-c1cccc(Cl)c1 ZINC000898735563 864572704 /nfs/dbraw/zinc/57/27/04/864572704.db2.gz WESZSOCGDVLRTR-ZDUSSCGKSA-N -1 3 375.881 3.619 20 0 GHADHM Cc1cccnc1OC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621976340 864646659 /nfs/dbraw/zinc/64/66/59/864646659.db2.gz RBRZXKMWHIYKRU-UHFFFAOYSA-N -1 3 380.366 3.798 20 0 GHADHM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567404286 864669720 /nfs/dbraw/zinc/66/97/20/864669720.db2.gz CSDCCKFQIQGRIX-HXUWFJFHSA-N -1 3 389.455 3.748 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000622070078 864739708 /nfs/dbraw/zinc/73/97/08/864739708.db2.gz HMIFNQPPUDLIHR-GASCZTMLSA-N -1 3 376.378 3.619 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc4cccc(F)c4o3)n[nH]2)c(OC)c1 ZINC000607815118 864771991 /nfs/dbraw/zinc/77/19/91/864771991.db2.gz HHANKORJMQWSTK-UHFFFAOYSA-N -1 3 382.351 3.627 20 0 GHADHM [O-]c1cccnc1CNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000475356557 864847006 /nfs/dbraw/zinc/84/70/06/864847006.db2.gz ZVVBKZVNEBUPRI-UHFFFAOYSA-N -1 3 377.160 3.738 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)s2)c(C)c1 ZINC000622335321 864939085 /nfs/dbraw/zinc/93/90/85/864939085.db2.gz FKHWKRJRLXLPEB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)s2)c(C)c1 ZINC000622335321 864939090 /nfs/dbraw/zinc/93/90/90/864939090.db2.gz FKHWKRJRLXLPEB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000480606614 864964325 /nfs/dbraw/zinc/96/43/25/864964325.db2.gz HICQMCSAAXGFIO-INIZCTEOSA-N -1 3 383.460 3.589 20 0 GHADHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccccn2)cc1 ZINC000480630560 864975204 /nfs/dbraw/zinc/97/52/04/864975204.db2.gz KDCGHQHADUGDBW-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)o1 ZINC000173734069 865046277 /nfs/dbraw/zinc/04/62/77/865046277.db2.gz RMIWGHRPIZAKQX-UHFFFAOYSA-N -1 3 380.470 3.706 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1-c1ccc(C)cc1 ZINC000523032897 865077066 /nfs/dbraw/zinc/07/70/66/865077066.db2.gz HFFMQTYRQTXBRB-UHFFFAOYSA-N -1 3 399.454 3.800 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)[C@H](C)C1 ZINC000736239784 865159756 /nfs/dbraw/zinc/15/97/56/865159756.db2.gz IRIKCGJMFVRYHB-CPUCHLNUSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)[C@H](C)C1 ZINC000736239784 865159767 /nfs/dbraw/zinc/15/97/67/865159767.db2.gz IRIKCGJMFVRYHB-CPUCHLNUSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c1Cl ZINC000480736542 865168530 /nfs/dbraw/zinc/16/85/30/865168530.db2.gz BOQSSIQZTHJNRY-NSHDSACASA-N -1 3 382.309 3.700 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000622738229 865169680 /nfs/dbraw/zinc/16/96/80/865169680.db2.gz HPWDBQLULLMTCD-JTQLQIEISA-N -1 3 384.263 3.616 20 0 GHADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000554928786 865188205 /nfs/dbraw/zinc/18/82/05/865188205.db2.gz RNVBEHKODLPNHF-ZIAGYGMSSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)n1 ZINC000622739056 865193467 /nfs/dbraw/zinc/19/34/67/865193467.db2.gz SBRJQJBOGVBEHA-SNVBAGLBSA-N -1 3 384.263 3.616 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(Br)ccc2C)[nH][n-]1 ZINC000608357917 865255815 /nfs/dbraw/zinc/25/58/15/865255815.db2.gz BFKJXJJDETZTJY-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC000737190359 865374222 /nfs/dbraw/zinc/37/42/22/865374222.db2.gz YOVGJUCMNYAMIR-XJKSGUPXSA-N -1 3 398.536 3.560 20 0 GHADHM O=c1sc2ccccc2n1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000121029509 881877052 /nfs/dbraw/zinc/87/70/52/881877052.db2.gz OWAXMPQYGVBXRQ-UHFFFAOYSA-N -1 3 381.438 3.669 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1cnc(Cl)c(Cl)c1 ZINC000738363745 865546441 /nfs/dbraw/zinc/54/64/41/865546441.db2.gz HFZRZZUWAPEDNX-CYBMUJFWSA-N 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866662686 /nfs/dbraw/zinc/66/26/86/866662686.db2.gz MBDQUFLJMOAYQK-UHFFFAOYSA-N -1 3 379.272 3.931 20 0 GHADHM COCC(C)(C)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000534417342 866710988 /nfs/dbraw/zinc/71/09/88/866710988.db2.gz WFCIZNAXFQIZAU-UHFFFAOYSA-N -1 3 386.677 3.526 20 0 GHADHM O=C(O[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc2ccsc2[n-]1 ZINC000763623624 866904574 /nfs/dbraw/zinc/90/45/74/866904574.db2.gz KPCLRVAQEDHWEX-CQSZACIVSA-N -1 3 378.812 3.984 20 0 GHADHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N1c1ccccc1 ZINC000742014085 866981607 /nfs/dbraw/zinc/98/16/07/866981607.db2.gz PHWUHJNBECVHNN-BLLLJJGKSA-N -1 3 378.806 3.742 20 0 GHADHM CC[C@H](C)[C@H](C)C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000183640112 866988202 /nfs/dbraw/zinc/98/82/02/866988202.db2.gz AHLAZXPPPMYWSX-GJZGRUSLSA-N -1 3 375.494 3.613 20 0 GHADHM COc1cc(C(=O)Nc2ccccc2CN2CCSCC2)cc(Cl)c1[O-] ZINC000153694692 867029940 /nfs/dbraw/zinc/02/99/40/867029940.db2.gz CQMUESXDGYJYEB-UHFFFAOYSA-N -1 3 392.908 3.855 20 0 GHADHM COC(=O)C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000857135590 882039929 /nfs/dbraw/zinc/03/99/29/882039929.db2.gz XHFFDKYMPGROMY-GFCCVEGCSA-N -1 3 379.334 3.718 20 0 GHADHM COc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc(Cl)c1[O-] ZINC000153719524 867042775 /nfs/dbraw/zinc/04/27/75/867042775.db2.gz KDWKWTJFFFNRCL-HNNXBMFYSA-N -1 3 378.856 3.523 20 0 GHADHM CN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479043531 867063708 /nfs/dbraw/zinc/06/37/08/867063708.db2.gz MJIXTLRDGCLMBU-OAHLLOKOSA-N -1 3 383.206 3.973 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456727737 867070154 /nfs/dbraw/zinc/07/01/54/867070154.db2.gz ZVQKMFXUSDHSNS-YVEFUNNKSA-N -1 3 381.350 3.570 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000121374842 882044622 /nfs/dbraw/zinc/04/46/22/882044622.db2.gz XIYRSAGNSFZMII-AUUYWEPGSA-N -1 3 377.444 3.884 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)[C@@H](c1ccccc1)N(C)C ZINC000479110865 867150823 /nfs/dbraw/zinc/15/08/23/867150823.db2.gz ZEUYALKMACSSRT-PJVFVDNUSA-N -1 3 397.504 3.536 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c(F)c1 ZINC000479114591 867157822 /nfs/dbraw/zinc/15/78/22/867157822.db2.gz JQUBALJWOKZOEJ-UHFFFAOYSA-N -1 3 378.469 3.539 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]CCSC(F)(F)F)c(Cl)c1Cl ZINC000742277767 867164606 /nfs/dbraw/zinc/16/46/06/867164606.db2.gz BAPBKLMMRULJIF-UHFFFAOYSA-N -1 3 384.228 3.533 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1C ZINC000153968952 867181783 /nfs/dbraw/zinc/18/17/83/867181783.db2.gz TVTRQZLKXHBAPB-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1cnc(Cl)c(Cl)c1 ZINC000742298768 867202973 /nfs/dbraw/zinc/20/29/73/867202973.db2.gz FPLDKNUFMACPLL-UHFFFAOYSA-N -1 3 388.251 3.530 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)ccc1Br ZINC000479135646 867205149 /nfs/dbraw/zinc/20/51/49/867205149.db2.gz WSVXFSOZWXCUCW-LBPRGKRZSA-N -1 3 386.233 3.767 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCCF)ccc2C)c(C)c1 ZINC000154077584 867237053 /nfs/dbraw/zinc/23/70/53/867237053.db2.gz IHBBYSUEVHAHID-UHFFFAOYSA-N -1 3 392.496 3.810 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Oc3ccc4c(c3)CCC4)cc2)n1 ZINC000523423470 867264641 /nfs/dbraw/zinc/26/46/41/867264641.db2.gz DCLMMLFLRTXTLV-HNNXBMFYSA-N -1 3 389.455 3.640 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cncc(Cl)c1 ZINC000479215294 867368092 /nfs/dbraw/zinc/36/80/92/867368092.db2.gz ARJCOQOBYMOCGA-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000479237107 867386543 /nfs/dbraw/zinc/38/65/43/867386543.db2.gz BQLUVXFGXRSKKT-CQSZACIVSA-N -1 3 380.897 3.534 20 0 GHADHM O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857178591 882089314 /nfs/dbraw/zinc/08/93/14/882089314.db2.gz WFXXUEZDBRGHRQ-UHFFFAOYSA-N -1 3 379.378 3.971 20 0 GHADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1Br ZINC000920422534 882097303 /nfs/dbraw/zinc/09/73/03/882097303.db2.gz BYMQCCUGTLYHRO-LLVKDONJSA-N -1 3 398.278 3.739 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)[nH]1 ZINC000155037838 867719938 /nfs/dbraw/zinc/71/99/38/867719938.db2.gz ATERUIDQVIUEOX-UHFFFAOYSA-N -1 3 383.473 3.993 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc(-c2cccnc2)s1 ZINC000534921420 867770278 /nfs/dbraw/zinc/77/02/78/867770278.db2.gz BDPJQTIDMJWARH-UHFFFAOYSA-N -1 3 390.262 3.603 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1 ZINC000479544952 867990082 /nfs/dbraw/zinc/99/00/82/867990082.db2.gz NRBURIYXQJOKPS-UHFFFAOYSA-N -1 3 389.473 3.615 20 0 GHADHM Cc1ccc([O-])c(CNCc2cc(Br)ccc2Br)n1 ZINC000479580456 868122487 /nfs/dbraw/zinc/12/24/87/868122487.db2.gz WPUMSNLDMHZERB-UHFFFAOYSA-N -1 3 386.087 3.910 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000156032628 868227366 /nfs/dbraw/zinc/22/73/66/868227366.db2.gz OPYHBPLKTNTNBJ-UHFFFAOYSA-N -1 3 377.293 3.726 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CC1)c1cccnc1C(F)(F)F ZINC000553816107 868288523 /nfs/dbraw/zinc/28/85/23/868288523.db2.gz JZSNVGVTZBEUIW-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000156211792 868288932 /nfs/dbraw/zinc/28/89/32/868288932.db2.gz BERVHQUURCTWTK-MRXNPFEDSA-N -1 3 390.505 3.858 20 0 GHADHM COc1ccc([O-])c(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)c1 ZINC000445349118 868299071 /nfs/dbraw/zinc/29/90/71/868299071.db2.gz MLJATALENKQONO-UHFFFAOYSA-N -1 3 375.384 3.785 20 0 GHADHM O=C(NCCSc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000156301804 868318772 /nfs/dbraw/zinc/31/87/72/868318772.db2.gz IOFAEJUIFYMEOF-UHFFFAOYSA-N -1 3 381.295 3.746 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(OCCF)c1 ZINC000156683496 868437113 /nfs/dbraw/zinc/43/71/13/868437113.db2.gz KSYRSHXWKZVYSM-UHFFFAOYSA-N -1 3 383.217 3.825 20 0 GHADHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)s1 ZINC000524128823 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Cc1noc(C(C)C)c1[N-]C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000928790148 870134965 /nfs/dbraw/zinc/13/49/65/870134965.db2.gz VGQPTDRFQQKOGB-UHFFFAOYSA-N -1 3 390.241 3.702 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)cc1OC ZINC000011810597 882378556 /nfs/dbraw/zinc/37/85/56/882378556.db2.gz TUAPXIXFNMKRFQ-MRVPVSSYSA-N -1 3 387.219 3.523 20 0 GHADHM COc1ccccc1Cn1cncc1CNC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192339374 870300658 /nfs/dbraw/zinc/30/06/58/870300658.db2.gz DTLMEJXHBCWGNU-UHFFFAOYSA-N -1 3 393.487 3.873 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC001192351910 870311597 /nfs/dbraw/zinc/31/15/97/870311597.db2.gz RRGOUWQJOHRTNN-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(F)c1Br ZINC001192355063 870314413 /nfs/dbraw/zinc/31/44/13/870314413.db2.gz FGOMQOVJCOWPHF-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c(C)c1 ZINC001192512027 870444767 /nfs/dbraw/zinc/44/47/67/870444767.db2.gz XJLYVVNGVCVRSM-UHFFFAOYSA-N -1 3 384.432 3.867 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462935705 870492116 /nfs/dbraw/zinc/49/21/16/870492116.db2.gz PRAPVALNVXBPMC-HSZRJFAPSA-N -1 3 385.479 3.698 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461613844 870590001 /nfs/dbraw/zinc/59/00/01/870590001.db2.gz NNOCDXBIJNKGPW-UHFFFAOYSA-N -1 3 397.500 3.893 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C2CCC(C)(C)CC2)cc1OC ZINC000446902081 870674535 /nfs/dbraw/zinc/67/45/35/870674535.db2.gz IJANFJPPLSKHPO-UHFFFAOYSA-N -1 3 397.541 3.889 20 0 GHADHM Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)[N-]c2noc3cccnc23)s1 ZINC001192890758 870748321 /nfs/dbraw/zinc/74/83/21/870748321.db2.gz JFNNADGTAQSPMW-UHFFFAOYSA-N -1 3 393.350 3.956 20 0 GHADHM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC001192896813 870752804 /nfs/dbraw/zinc/75/28/04/870752804.db2.gz XTONNSXREDHWIU-UHFFFAOYSA-N -1 3 395.431 3.850 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)c1C ZINC000446970954 870826317 /nfs/dbraw/zinc/82/63/17/870826317.db2.gz IDYSNEWFWXOYHC-UHFFFAOYSA-N -1 3 384.885 3.879 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001193145621 870918718 /nfs/dbraw/zinc/91/87/18/870918718.db2.gz YYGDCBVJMIYCPM-KRWDZBQOSA-N -1 3 398.260 3.597 20 0 GHADHM COc1ccnc(C(=O)Nc2ccc(Oc3ccn4ccnc4c3)cc2C)c1[O-] ZINC001193542317 871139982 /nfs/dbraw/zinc/13/99/82/871139982.db2.gz DMDHXLSZVBGEPC-UHFFFAOYSA-N -1 3 390.399 3.797 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1[O-] ZINC000122259938 882491794 /nfs/dbraw/zinc/49/17/94/882491794.db2.gz NUDXHEIFIMSEDK-UHFFFAOYSA-N -1 3 381.476 3.686 20 0 GHADHM Cn1cc([C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C(F)(F)F)cn1 ZINC000447267704 871287040 /nfs/dbraw/zinc/28/70/40/871287040.db2.gz QPTSARBZWMQZQR-KRWDZBQOSA-N -1 3 391.349 3.951 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Cl)c1cc(F)cc(Br)c1 ZINC001193795648 871309574 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C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066019 871514022 /nfs/dbraw/zinc/51/40/22/871514022.db2.gz GGZLNHKUIWLJGE-CPFSXVBKSA-N -1 3 381.372 3.707 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001169542735 871621657 /nfs/dbraw/zinc/62/16/57/871621657.db2.gz ZRXFQKFINPQNKW-KXBFYZLASA-N -1 3 393.462 3.720 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c(F)c1 ZINC001194335280 871652042 /nfs/dbraw/zinc/65/20/42/871652042.db2.gz ULWNTQPOOKGSGX-UHFFFAOYSA-N -1 3 382.800 3.542 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C(F)(F)F)nc2)c(F)c1F ZINC001194382813 871659858 /nfs/dbraw/zinc/65/98/58/871659858.db2.gz CNMGTVZOQIBHCU-SECBINFHSA-N -1 3 380.338 3.727 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000794038911 882544089 /nfs/dbraw/zinc/54/40/89/882544089.db2.gz RVZIWMOAUNKYDQ-IBGZPJMESA-N -1 3 396.487 3.733 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1c(C(F)F)nc2n1CCCC2 ZINC000867009214 871890639 /nfs/dbraw/zinc/89/06/39/871890639.db2.gz YXJUTIXPBQFFHB-UHFFFAOYSA-N -1 3 386.196 3.877 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000552037274 871915317 /nfs/dbraw/zinc/91/53/17/871915317.db2.gz LMBOXAAKQMRARF-UHFFFAOYSA-N -1 3 391.871 3.805 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)cc1C(F)(F)F ZINC001194781078 871926401 /nfs/dbraw/zinc/92/64/01/871926401.db2.gz AOXXHSBZJDPIQN-UHFFFAOYSA-N -1 3 380.248 3.658 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000463528176 871943709 /nfs/dbraw/zinc/94/37/09/871943709.db2.gz VTNNGKAWVICPLZ-UHFFFAOYSA-N -1 3 389.857 3.788 20 0 GHADHM COC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194769968 871951525 /nfs/dbraw/zinc/95/15/25/871951525.db2.gz BNHOPDKHPALVEK-UHFFFAOYSA-N -1 3 375.372 3.826 20 0 GHADHM CCOC(=O)Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194866077 871998648 /nfs/dbraw/zinc/99/86/48/871998648.db2.gz CAQFUJASDASQJD-UHFFFAOYSA-N -1 3 391.489 3.527 20 0 GHADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000763507790 872045363 /nfs/dbraw/zinc/04/53/63/872045363.db2.gz FFUBYCSSJVQEMC-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(F)cc4F)CCC3)nc21 ZINC000540765474 872101242 /nfs/dbraw/zinc/10/12/42/872101242.db2.gz WAWXTGVJLVOBGJ-UHFFFAOYSA-N -1 3 385.370 3.688 20 0 GHADHM COc1cc(/C=C/C(=O)c2cc(O)ccc2OC)cc(Br)c1[O-] ZINC000182291237 872135543 /nfs/dbraw/zinc/13/55/43/872135543.db2.gz JHNFVZAQQJIILD-HWKANZROSA-N -1 3 379.206 3.774 20 0 GHADHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1noc2c1COCC2 ZINC000857844701 882583471 /nfs/dbraw/zinc/58/34/71/882583471.db2.gz PVBQTFWOFZYWNC-UHFFFAOYSA-N -1 3 398.440 3.905 20 0 GHADHM Cc1ccc(NC(=O)C2(CNC(=O)c3cccc4n[n-]nc43)CCCC2)cc1C ZINC000526115187 872154495 /nfs/dbraw/zinc/15/44/95/872154495.db2.gz DGVJFLRDRRQJAF-UHFFFAOYSA-N -1 3 391.475 3.504 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCOC[C@H]3OCc3ccccc3)n[n-]2)o1 ZINC000767012341 872162714 /nfs/dbraw/zinc/16/27/14/872162714.db2.gz XBZDKYULNRRDKA-WOJBJXKFSA-N -1 3 382.416 3.509 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCOC[C@H]3OCc3ccccc3)[n-]n2)o1 ZINC000767012341 872162720 /nfs/dbraw/zinc/16/27/20/872162720.db2.gz XBZDKYULNRRDKA-WOJBJXKFSA-N -1 3 382.416 3.509 20 0 GHADHM O=C(N[C@@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(Cl)[n-]c1=O ZINC001195140759 872195839 /nfs/dbraw/zinc/19/58/39/872195839.db2.gz DNLDLVKFDSXNNO-INIZCTEOSA-N -1 3 378.831 3.868 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)c([O-])c1 ZINC000540807519 872223667 /nfs/dbraw/zinc/22/36/67/872223667.db2.gz YSQNPBWMZHWRFF-UHFFFAOYSA-N -1 3 379.416 3.624 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)CC(=O)c3ccccc3F)cc2)n1 ZINC000463656949 872272530 /nfs/dbraw/zinc/27/25/30/872272530.db2.gz TVPZZSRBGMRAMM-CYBMUJFWSA-N -1 3 393.418 3.732 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cnn(C)c1C(F)F ZINC001195261845 872289803 /nfs/dbraw/zinc/28/98/03/872289803.db2.gz DPDWAZHRNFWTPH-UHFFFAOYSA-N -1 3 383.738 3.796 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(O)ccc1Br ZINC001195308405 872328372 /nfs/dbraw/zinc/32/83/72/872328372.db2.gz MHKUPQHBTLOKBB-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cc(C)ccc2I)c1[O-] ZINC000552287447 872354138 /nfs/dbraw/zinc/35/41/38/872354138.db2.gz RTPLLCMHAUVVKT-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)(C)C)c(C)cc1O ZINC001195384312 872380190 /nfs/dbraw/zinc/38/01/90/872380190.db2.gz ZWQWHNKLPIMSTB-UHFFFAOYSA-N -1 3 391.489 3.894 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(C(C)(C)C)ccc1OC ZINC001195465123 872423036 /nfs/dbraw/zinc/42/30/36/872423036.db2.gz DKXOBEWSYCSGGI-UHFFFAOYSA-N -1 3 375.396 3.876 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195496675 872448018 /nfs/dbraw/zinc/44/80/18/872448018.db2.gz VHAAESIIWJZIIN-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1Cl)c1cc(Br)ccc1F ZINC001195496669 872448765 /nfs/dbraw/zinc/44/87/65/872448765.db2.gz UWKNFIYYLKVPGG-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CC1(C)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000527026638 872532087 /nfs/dbraw/zinc/53/20/87/872532087.db2.gz WSVBESRBOVYOOQ-DEOSSOPVSA-N -1 3 395.499 3.588 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000094156162 872561452 /nfs/dbraw/zinc/56/14/52/872561452.db2.gz OHYGMGCUCKPMND-GOSISDBHSA-N -1 3 382.460 3.515 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC(C)C)c(Cl)cc2Cl)cn1 ZINC001195725753 872576305 /nfs/dbraw/zinc/57/63/05/872576305.db2.gz SQLDCBTYOZBOMR-UHFFFAOYSA-N -1 3 391.276 3.985 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1sc2ccc(Br)cc2c1C ZINC001272349852 872579667 /nfs/dbraw/zinc/57/96/67/872579667.db2.gz HVGNVLDULLGRKF-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1sc2ccc(Br)cc2c1C ZINC001272349852 872579682 /nfs/dbraw/zinc/57/96/82/872579682.db2.gz HVGNVLDULLGRKF-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM Cc1sc([N-]C(=O)c2cccc[n+]2[O-])nc1-c1ccc(Br)cc1 ZINC000121412656 872598922 /nfs/dbraw/zinc/59/89/22/872598922.db2.gz YFYHCBVCXXOIPF-UHFFFAOYSA-N -1 3 390.262 3.767 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000619448253 872636767 /nfs/dbraw/zinc/63/67/67/872636767.db2.gz JOLOXVPPLRBKGH-UHFFFAOYSA-N -1 3 398.246 3.885 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c[n-]1 ZINC000619448253 872636769 /nfs/dbraw/zinc/63/67/69/872636769.db2.gz JOLOXVPPLRBKGH-UHFFFAOYSA-N -1 3 398.246 3.885 20 0 GHADHM Cc1c2ccccc2sc1[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000767578448 872642284 /nfs/dbraw/zinc/64/22/84/872642284.db2.gz NJMWSVGFWZGFNJ-LRDDRELGSA-N -1 3 383.535 3.778 20 0 GHADHM O=S(=O)(Nc1cc(Cl)cc(Br)c1F)c1ccc([O-])cc1 ZINC001195806775 872677035 /nfs/dbraw/zinc/67/70/35/872677035.db2.gz NOCHIBFTUWHGTP-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM Cc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)c2c1 ZINC001195937781 872738511 /nfs/dbraw/zinc/73/85/11/872738511.db2.gz ORNCJTKMPVDGDK-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM CSc1ccccc1NC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000182802675 872799127 /nfs/dbraw/zinc/79/91/27/872799127.db2.gz CFWCRLRMTBXWMS-UHFFFAOYSA-N -1 3 398.257 3.777 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2F)cc1Cl ZINC001196080946 872868647 /nfs/dbraw/zinc/86/86/47/872868647.db2.gz GUXKCUKDDWHUMA-HNNXBMFYSA-N -1 3 387.842 3.696 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)nc1Cl ZINC000767861363 872898019 /nfs/dbraw/zinc/89/80/19/872898019.db2.gz DREFWFBSBQUUNG-LLVKDONJSA-N -1 3 379.309 3.549 20 0 GHADHM Cc1cc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)c(C)n1C[C@@H]1CCCO1 ZINC000163112347 872923897 /nfs/dbraw/zinc/92/38/97/872923897.db2.gz JFYSZSYLCBXRTE-ZDUSSCGKSA-N -1 3 395.492 3.817 20 0 GHADHM CC(C)c1nc(C2([N-]S(=O)(=O)C[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000151627124 872966543 /nfs/dbraw/zinc/96/65/43/872966543.db2.gz HBSYOPSMJNXTGP-OAHLLOKOSA-N -1 3 377.510 3.685 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC000152929635 872983931 /nfs/dbraw/zinc/98/39/31/872983931.db2.gz SCOJFGTVRAIKAI-UHFFFAOYSA-N -1 3 389.362 3.603 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000619752420 872988514 /nfs/dbraw/zinc/98/85/14/872988514.db2.gz ZCTPEPXCBFHJPL-SNVBAGLBSA-N -1 3 381.500 3.789 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000640303317 882678340 /nfs/dbraw/zinc/67/83/40/882678340.db2.gz TYCGCQDJGQMTCB-ZDUSSCGKSA-N -1 3 399.804 3.675 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)n1 ZINC001196328122 873034908 /nfs/dbraw/zinc/03/49/08/873034908.db2.gz XLZBFIINENBHJV-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)C1CCC1)c1cccc(Br)n1 ZINC001196333527 873038638 /nfs/dbraw/zinc/03/86/38/873038638.db2.gz MABLGOMVWMZMKY-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000921191757 882683524 /nfs/dbraw/zinc/68/35/24/882683524.db2.gz ONVNQFCMYOCCGU-FQEVSTJZSA-N -1 3 391.393 3.714 20 0 GHADHM O=C(NCc1ncccc1[O-])c1[nH]c2ccc(Br)cc2c1Cl ZINC000527481385 873180129 /nfs/dbraw/zinc/18/01/29/873180129.db2.gz RBIFKDRRTIVJBO-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1C(C)C ZINC000527500007 873184677 /nfs/dbraw/zinc/18/46/77/873184677.db2.gz OLBVXRXLZJBXMB-GOSISDBHSA-N -1 3 379.464 3.553 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)sc1Br ZINC000122883960 882699210 /nfs/dbraw/zinc/69/92/10/882699210.db2.gz HAHCQIZZKTURKR-UHFFFAOYSA-N -1 3 393.353 3.631 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1 ZINC000537645067 882701749 /nfs/dbraw/zinc/70/17/49/882701749.db2.gz ZUQUCHYGEOZPDP-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(Br)s2)c1 ZINC001196776451 873384325 /nfs/dbraw/zinc/38/43/25/873384325.db2.gz BQANOIVRPYGCOS-MRVPVSSYSA-N -1 3 394.287 3.698 20 0 GHADHM COc1nc(C(F)(F)F)c(C(=O)[N-]c2ccc3c[nH]nc3c2Cl)s1 ZINC001196844829 873401718 /nfs/dbraw/zinc/40/17/18/873401718.db2.gz RJBBBEREEAILAP-UHFFFAOYSA-N -1 3 376.747 3.953 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001196822135 873415928 /nfs/dbraw/zinc/41/59/28/873415928.db2.gz FYLRDMJHLPERQT-UHFFFAOYSA-N -1 3 387.321 3.725 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1cscn1 ZINC001196828253 873421080 /nfs/dbraw/zinc/42/10/80/873421080.db2.gz CHLDMDANHJGVBO-LURJTMIESA-N -1 3 399.694 3.738 20 0 GHADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000775748360 873421182 /nfs/dbraw/zinc/42/11/82/873421182.db2.gz WIXHHJZGIPBQRS-OTYXRUKQSA-N -1 3 393.267 3.582 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c(C)c1 ZINC001196877663 873423406 /nfs/dbraw/zinc/42/34/06/873423406.db2.gz KHDNXPGEUPEBAN-UHFFFAOYSA-N -1 3 383.882 3.771 20 0 GHADHM CC(C)Oc1c(F)ccc(C(=O)Nc2ncc([O-])cc2Br)c1F ZINC001196885287 873428441 /nfs/dbraw/zinc/42/84/41/873428441.db2.gz NSJINSQZBLOXLH-UHFFFAOYSA-N -1 3 387.180 3.867 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCc1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC000768717451 873515592 /nfs/dbraw/zinc/51/55/92/873515592.db2.gz YEHQUEZRELZCGS-LBPRGKRZSA-N -1 3 390.402 3.599 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)n1 ZINC000768785337 873577354 /nfs/dbraw/zinc/57/73/54/873577354.db2.gz HHLXXRKZGSTEIJ-UHFFFAOYSA-N -1 3 389.411 3.607 20 0 GHADHM Cc1ncc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(=O)[n-]1 ZINC000541458930 873645603 /nfs/dbraw/zinc/64/56/03/873645603.db2.gz UGJADERFEPQHBA-UHFFFAOYSA-N -1 3 389.411 3.746 20 0 GHADHM O=C(CCC(=O)c1ccc(Cl)cn1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000769003549 873767545 /nfs/dbraw/zinc/76/75/45/873767545.db2.gz JVUBJHDADABFBJ-UHFFFAOYSA-N -1 3 386.757 3.965 20 0 GHADHM COc1cc2c(cc1OC)[C@H](C)N(Cc1cc(=O)[n-]c(-c3ccccc3)n1)CC2 ZINC001197497851 873870351 /nfs/dbraw/zinc/87/03/51/873870351.db2.gz VAWHFNMDDGBAPS-HNNXBMFYSA-N -1 3 391.471 3.986 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448785654 873928563 /nfs/dbraw/zinc/92/85/63/873928563.db2.gz ZOUDCSUFOHOHJC-UHFFFAOYSA-N -1 3 381.451 3.843 20 0 GHADHM COC(=O)c1cc2cc([N-]S(=O)(=O)Cc3c(F)cccc3F)ccc2s1 ZINC001197602564 873936843 /nfs/dbraw/zinc/93/68/43/873936843.db2.gz APSFVPLLGNPZRN-UHFFFAOYSA-N -1 3 397.424 3.908 20 0 GHADHM CC(C)c1cc2ncc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cn2n1 ZINC001197649850 873947454 /nfs/dbraw/zinc/94/74/54/873947454.db2.gz TUTNPMNIIPEVSE-UHFFFAOYSA-N -1 3 382.848 3.587 20 0 GHADHM O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000775782501 873982311 /nfs/dbraw/zinc/98/23/11/873982311.db2.gz IJRCZINAKDYZEA-INIZCTEOSA-N -1 3 396.878 3.941 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000448876308 874106778 /nfs/dbraw/zinc/10/67/78/874106778.db2.gz XTHFZHPXKICBSJ-KRWDZBQOSA-N -1 3 381.407 3.878 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000769554835 874155737 /nfs/dbraw/zinc/15/57/37/874155737.db2.gz ZBGZTWNCWINLKQ-INIZCTEOSA-N -1 3 383.206 3.648 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)c(Cl)c1)c1cccc(Cl)n1 ZINC001198246467 874308613 /nfs/dbraw/zinc/30/86/13/874308613.db2.gz JPNLVSHHNSWKEQ-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1ccccc1Br ZINC000769973209 874383323 /nfs/dbraw/zinc/38/33/23/874383323.db2.gz SRYDHIZPYZLWQE-CQSZACIVSA-N -1 3 390.233 3.861 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2Br)n1C ZINC001198403521 874392652 /nfs/dbraw/zinc/39/26/52/874392652.db2.gz GIIVLRAMUQBUDF-UHFFFAOYSA-N -1 3 386.315 3.589 20 0 GHADHM CSc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000770192968 874514456 /nfs/dbraw/zinc/51/44/56/874514456.db2.gz HWXRHXICVFTHTD-UHFFFAOYSA-N -1 3 396.509 3.795 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1Cl ZINC001198730471 874585324 /nfs/dbraw/zinc/58/53/24/874585324.db2.gz KRICMERJRONGIG-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000770445047 874687742 /nfs/dbraw/zinc/68/77/42/874687742.db2.gz QVQMISONSHDECC-SFHVURJKSA-N -1 3 397.500 3.692 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CCC(=O)c3ccccn3)nc(=O)c2c1C ZINC000770484666 874727604 /nfs/dbraw/zinc/72/76/04/874727604.db2.gz UALMLJHWKPADMT-NSHDSACASA-N -1 3 385.445 3.676 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(OCC(F)(F)F)ccn1 ZINC001199026085 874750407 /nfs/dbraw/zinc/75/04/07/874750407.db2.gz FODTVQWCGLHLNC-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(C)C ZINC000775932171 874793198 /nfs/dbraw/zinc/79/31/98/874793198.db2.gz DSOKHAIEFCSAKY-KRWDZBQOSA-N -1 3 377.824 3.874 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000770707381 874844740 /nfs/dbraw/zinc/84/47/40/874844740.db2.gz YHENELNPMYLDAR-CYBMUJFWSA-N -1 3 392.290 3.598 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H]4CCC[C@H]4C3)c2)cc1 ZINC000465100353 875121025 /nfs/dbraw/zinc/12/10/25/875121025.db2.gz BSABBIMXYXTMFH-ROUUACIJSA-N -1 3 398.528 3.976 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(Oc2ccccc2)nc1 ZINC001199773512 875176656 /nfs/dbraw/zinc/17/66/56/875176656.db2.gz WPQYKSJQOQSSPO-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000542270434 875306753 /nfs/dbraw/zinc/30/67/53/875306753.db2.gz XRKFPPHPBGYLRC-HNNXBMFYSA-N -1 3 382.386 3.706 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000122998823 882931996 /nfs/dbraw/zinc/93/19/96/882931996.db2.gz CWEPJVFZFOWFBA-AWEZNQCLSA-N -1 3 375.428 3.904 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c(F)c1 ZINC001201049242 875491961 /nfs/dbraw/zinc/49/19/61/875491961.db2.gz ZHLJSNGJXLGTEE-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001201214515 875581772 /nfs/dbraw/zinc/58/17/72/875581772.db2.gz CQUBDSALBCMATC-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc3ncc(Cl)cc23)cc1 ZINC001201222708 875585615 /nfs/dbraw/zinc/58/56/15/875585615.db2.gz JJSOUNQKULXREW-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913620091 875628582 /nfs/dbraw/zinc/62/85/82/875628582.db2.gz KKSIZDQXLBBJLE-UHFFFAOYSA-N -1 3 385.467 3.890 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)CCC2 ZINC000776166696 875680453 /nfs/dbraw/zinc/68/04/53/875680453.db2.gz BBGODAMTULYMPZ-AWEZNQCLSA-N -1 3 381.402 3.824 20 0 GHADHM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC001201500473 875721319 /nfs/dbraw/zinc/72/13/19/875721319.db2.gz DKOKVCGGNAPZPM-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM CC(C)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H](O)c1ccccc1 ZINC000529216116 875843076 /nfs/dbraw/zinc/84/30/76/875843076.db2.gz GVUSKSPCTNJKSS-IAGOWNOFSA-N -1 3 378.266 3.643 20 0 GHADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000005694124 875854833 /nfs/dbraw/zinc/85/48/33/875854833.db2.gz YYKACHIXZSRGMG-INIZCTEOSA-N -1 3 375.424 3.843 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cncnc2Br)c(C)c1C ZINC001201792393 875859331 /nfs/dbraw/zinc/85/93/31/875859331.db2.gz GSHKCXDYZMNHLS-UHFFFAOYSA-N -1 3 384.299 3.582 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(F)c1Br ZINC001201792305 875859381 /nfs/dbraw/zinc/85/93/81/875859381.db2.gz MINOTNFEMVLPML-DGCLKSJQSA-N -1 3 388.233 3.562 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000913696720 875879604 /nfs/dbraw/zinc/87/96/04/875879604.db2.gz PRBFZFJRQYBAHM-UHFFFAOYSA-N -1 3 383.782 3.635 20 0 GHADHM O=S(=O)([N-]CC1(CC2CCC2)CC1)c1cccc(F)c1Br ZINC001201790482 875885504 /nfs/dbraw/zinc/88/55/04/875885504.db2.gz GBRJXAIQMUQORA-UHFFFAOYSA-N -1 3 376.291 3.837 20 0 GHADHM O=S(=O)([N-]CCCCc1ccccc1)c1cccc(F)c1Br ZINC001201790757 875885561 /nfs/dbraw/zinc/88/55/61/875885561.db2.gz VYDBRZCBNFXPPT-UHFFFAOYSA-N -1 3 386.286 3.889 20 0 GHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000450183818 876063856 /nfs/dbraw/zinc/06/38/56/876063856.db2.gz DURFIQFKGPLSOC-OYHNWAKOSA-N -1 3 387.451 3.515 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCC(=O)c3ccccc3)nc(=O)c2c1C ZINC000005983373 876249774 /nfs/dbraw/zinc/24/97/74/876249774.db2.gz VPECYSPHYKWPGK-GFCCVEGCSA-N -1 3 384.457 3.869 20 0 GHADHM O=C([N-]NC(=O)c1csc(Br)c1)c1ccc(Cl)cc1Cl ZINC000030579333 876368274 /nfs/dbraw/zinc/36/82/74/876368274.db2.gz YNBPSQSHWCHVJF-UHFFFAOYSA-N -1 3 394.077 3.892 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccc(N2CCCCCC2)cc1 ZINC000786030090 876416366 /nfs/dbraw/zinc/41/63/66/876416366.db2.gz UHHRWLKIBMFEBE-UHFFFAOYSA-N -1 3 381.432 3.937 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1c(F)cc(F)cc1Br ZINC000786029006 876416432 /nfs/dbraw/zinc/41/64/32/876416432.db2.gz BNFQRUZAMXBGGI-UHFFFAOYSA-N -1 3 399.147 3.597 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786032512 876418402 /nfs/dbraw/zinc/41/84/02/876418402.db2.gz ITTBJRLDXFTYEC-SNVBAGLBSA-N -1 3 376.796 3.915 20 0 GHADHM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000776439836 876508934 /nfs/dbraw/zinc/50/89/34/876508934.db2.gz SSVFDEFNLNFNIH-CQSZACIVSA-N -1 3 391.842 3.685 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000152025054 876522232 /nfs/dbraw/zinc/52/22/32/876522232.db2.gz ITPOSNNRMPOSIX-UHFFFAOYSA-N -1 3 393.777 3.807 20 0 GHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000450553021 876607011 /nfs/dbraw/zinc/60/70/11/876607011.db2.gz AUHBUJPJGDINAP-UHFFFAOYSA-N -1 3 375.629 3.840 20 0 GHADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000173802354 876649308 /nfs/dbraw/zinc/64/93/08/876649308.db2.gz NFCRIQJMDNBKRK-UHFFFAOYSA-N -1 3 376.821 3.651 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1OCc1cccs1 ZINC001129612495 883062565 /nfs/dbraw/zinc/06/25/65/883062565.db2.gz GJJDAPROQUHZGD-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1OCc1cccs1 ZINC001129612495 883062580 /nfs/dbraw/zinc/06/25/80/883062580.db2.gz GJJDAPROQUHZGD-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM Cn1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(-c2ccc(Cl)s2)n1 ZINC000476768685 883063420 /nfs/dbraw/zinc/06/34/20/883063420.db2.gz WUEPHIGYRHUVQY-UHFFFAOYSA-N -1 3 383.864 3.866 20 0 GHADHM COc1cc2nc(-c3cc(F)cc(Br)c3)[n-]c(=O)c2cc1OC ZINC000174036851 876789864 /nfs/dbraw/zinc/78/98/64/876789864.db2.gz TVVZCPDPRCZQRN-UHFFFAOYSA-N -1 3 379.185 3.509 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn(C)nc3-c3ccco3)nc(=O)c2c1C ZINC000850327738 876812850 /nfs/dbraw/zinc/81/28/50/876812850.db2.gz IKUANHRULNWHSI-JTQLQIEISA-N -1 3 398.444 3.925 20 0 GHADHM COc1cccc(C[C@@H]2CCCCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000529957868 876898490 /nfs/dbraw/zinc/89/84/90/876898490.db2.gz CWHQHARINLTSEJ-IBGZPJMESA-N -1 3 396.487 3.987 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786832077 876950593 /nfs/dbraw/zinc/95/05/93/876950593.db2.gz WCBQHYHOAXBZRQ-INIZCTEOSA-N -1 3 394.487 3.617 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000786885933 877039074 /nfs/dbraw/zinc/03/90/74/877039074.db2.gz FPAHHMAEXZYSLK-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1cc(C)c(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c(OCc2ccccc2)n1 ZINC000450901760 877044309 /nfs/dbraw/zinc/04/43/09/877044309.db2.gz IKRYPEBVIVVPLO-SFHVURJKSA-N -1 3 394.475 3.746 20 0 GHADHM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(F)(F)F ZINC000174953843 883090490 /nfs/dbraw/zinc/09/04/90/883090490.db2.gz QXBUJRAZLPXCCP-JTQLQIEISA-N -1 3 391.342 3.734 20 0 GHADHM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC000030814819 877210587 /nfs/dbraw/zinc/21/05/87/877210587.db2.gz OUHUQAZPKCFJGT-UHFFFAOYSA-N -1 3 393.752 3.982 20 0 GHADHM CC1N=NC(=S)N1c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787172693 877218763 /nfs/dbraw/zinc/21/87/63/877218763.db2.gz OSPXHPDAPAZEEF-UHFFFAOYSA-N -1 3 386.452 3.671 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cnc1Cl ZINC000780750234 877265694 /nfs/dbraw/zinc/26/56/94/877265694.db2.gz BTNBLFLYQFQIKI-UHFFFAOYSA-N -1 3 395.912 3.530 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NCC(F)(F)F)c3)ccc2O1 ZINC000451086265 877343995 /nfs/dbraw/zinc/34/39/95/877343995.db2.gz FWJUNTJYJXXOFQ-LLVKDONJSA-N -1 3 386.395 3.785 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC2CCN(C)CC2)o1 ZINC000451108884 877372444 /nfs/dbraw/zinc/37/24/44/877372444.db2.gz BWRDQPHHSKDSKG-UHFFFAOYSA-N -1 3 384.885 3.515 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000109743777 877386154 /nfs/dbraw/zinc/38/61/54/877386154.db2.gz QOBJDVPAFHZXDU-UHFFFAOYSA-N -1 3 390.439 3.956 20 0 GHADHM Cc1nc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)c(C)o1 ZINC000551546830 877410681 /nfs/dbraw/zinc/41/06/81/877410681.db2.gz STKBUTTUPBBEIG-UHFFFAOYSA-N -1 3 395.644 3.772 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCCN(c3cc(C)ccc3F)C2=O)n1 ZINC000477360047 877485296 /nfs/dbraw/zinc/48/52/96/877485296.db2.gz FHLNIENRBGRZFW-INIZCTEOSA-N -1 3 375.469 3.621 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n1 ZINC000477359825 877485327 /nfs/dbraw/zinc/48/53/27/877485327.db2.gz XNZFBMONSIDJCA-OAHLLOKOSA-N -1 3 385.533 3.805 20 0 GHADHM CCc1cc(=O)[n-]c(CSCCC(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000477348387 877494000 /nfs/dbraw/zinc/49/40/00/877494000.db2.gz IWFIENOHCIRDOF-UHFFFAOYSA-N -1 3 381.885 3.669 20 0 GHADHM COc1cccc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000175216748 877533253 /nfs/dbraw/zinc/53/32/53/877533253.db2.gz IPZAFDUJSCRLSM-ZDUSSCGKSA-N -1 3 378.457 3.971 20 0 GHADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1cccc2nsnc21 ZINC000615298152 877621691 /nfs/dbraw/zinc/62/16/91/877621691.db2.gz IXFDAPPGDFVTQL-LBPRGKRZSA-N -1 3 387.408 3.663 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000615297422 877623320 /nfs/dbraw/zinc/62/33/20/877623320.db2.gz OKMQIAALRSRWMD-UHFFFAOYSA-N -1 3 375.465 3.775 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000530364294 877634196 /nfs/dbraw/zinc/63/41/96/877634196.db2.gz STPJHSLNRVZHOL-TZMCWYRMSA-N -1 3 392.249 3.914 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848984 877669821 /nfs/dbraw/zinc/66/98/21/877669821.db2.gz RUSJGDWSFLUELY-MRXNPFEDSA-N -1 3 387.451 3.753 20 0 GHADHM Cc1ccc([C@H](NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000787851387 877671362 /nfs/dbraw/zinc/67/13/62/877671362.db2.gz YOWGIOFUJRHMMY-QHCPKHFHSA-N -1 3 399.462 3.973 20 0 GHADHM CC(=O)OC[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])c1ccccc1 ZINC001183109396 912291128 /nfs/dbraw/zinc/29/11/28/912291128.db2.gz CDFSVHWPWAUEDS-QGZVFWFLSA-N -1 3 399.443 3.633 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788296456 877976392 /nfs/dbraw/zinc/97/63/92/877976392.db2.gz OLDGUUCHFCPPHS-UHFFFAOYSA-N -1 3 390.505 3.984 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1cccc(F)c1 ZINC000788277804 877988849 /nfs/dbraw/zinc/98/88/49/877988849.db2.gz LTAPRGSUDXHJGQ-GOSISDBHSA-N -1 3 381.432 3.999 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cc2sccc2c([O-])c1 ZINC000788278523 877989670 /nfs/dbraw/zinc/98/96/70/877989670.db2.gz AXEWSJGTOAFYPD-UHFFFAOYSA-N -1 3 398.459 3.781 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000537824125 878345620 /nfs/dbraw/zinc/34/56/20/878345620.db2.gz YHMFTANZVSTAOP-UHFFFAOYSA-N -1 3 383.322 3.762 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c([O-])c1 ZINC000537825117 878346913 /nfs/dbraw/zinc/34/69/13/878346913.db2.gz UAQVXFKQYHWFAX-UHFFFAOYSA-N -1 3 377.400 3.587 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1Br ZINC000176673407 878347168 /nfs/dbraw/zinc/34/71/68/878347168.db2.gz UNUXSMVXWGYQIJ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1Br ZINC000564368153 878408309 /nfs/dbraw/zinc/40/83/09/878408309.db2.gz HMXBMPCUQLGCGS-VIFPVBQESA-N -1 3 388.661 3.959 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2C(F)(F)F)sc1Cl ZINC000788900352 878435044 /nfs/dbraw/zinc/43/50/44/878435044.db2.gz LUJMGPRHORZRHE-NSHDSACASA-N -1 3 399.843 3.741 20 0 GHADHM Cn1cc(C[C@H]2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)cn1 ZINC000530841936 878638411 /nfs/dbraw/zinc/63/84/11/878638411.db2.gz JAWPSKXVBHIAPW-HXUWFJFHSA-N -1 3 389.499 3.616 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000538013074 878712831 /nfs/dbraw/zinc/71/28/31/878712831.db2.gz MKWQJLRSTJEANK-ZDUSSCGKSA-N -1 3 396.242 3.938 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC1(Cc2ccccc2Br)CC1 ZINC000452123845 878972532 /nfs/dbraw/zinc/97/25/32/878972532.db2.gz NCGLCTSBLYIYQK-UHFFFAOYSA-N -1 3 378.241 3.728 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1nnc2ccccc2c1[O-] ZINC000111568073 879275468 /nfs/dbraw/zinc/27/54/68/879275468.db2.gz YFBNWXBBNLABRS-UHFFFAOYSA-N -1 3 376.347 3.502 20 0 GHADHM CC[C@H](C)N(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000616979778 879283441 /nfs/dbraw/zinc/28/34/41/879283441.db2.gz YDOOGDLTZAPOJZ-ZDUSSCGKSA-N -1 3 375.494 3.599 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789806611 879286541 /nfs/dbraw/zinc/28/65/41/879286541.db2.gz OFWSUWCWSYSFAC-HNNXBMFYSA-N -1 3 392.496 3.653 20 0 GHADHM CC1(C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)OCCO1 ZINC000761579324 879327559 /nfs/dbraw/zinc/32/75/59/879327559.db2.gz URDDRYFSKUNBNH-UHFFFAOYSA-N -1 3 383.444 3.800 20 0 GHADHM COc1cc2cc(C(=O)Nc3cc(Br)ccc3[O-])[nH]c2cc1OC ZINC000531254028 879439600 /nfs/dbraw/zinc/43/96/00/879439600.db2.gz HVRVQCPGJUZRAA-UHFFFAOYSA-N -1 3 391.221 3.906 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(=O)OCC(F)(F)F)cc2)cc1 ZINC000790128438 879471474 /nfs/dbraw/zinc/47/14/74/879471474.db2.gz WDOZLJIEVKQTFB-UHFFFAOYSA-N -1 3 389.351 3.874 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3ccccc3c2)cc1OC ZINC000617215077 879485715 /nfs/dbraw/zinc/48/57/15/879485715.db2.gz QKQOMBVMIUCOSE-UHFFFAOYSA-N -1 3 384.457 3.862 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1OC ZINC000617215025 879485956 /nfs/dbraw/zinc/48/59/56/879485956.db2.gz LPPQVBZOOZTKCN-UHFFFAOYSA-N -1 3 394.518 3.649 20 0 GHADHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000152828299 879770286 /nfs/dbraw/zinc/77/02/86/879770286.db2.gz AJEMWEISVCQMGK-OAHLLOKOSA-N -1 3 384.358 3.779 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001183417780 912503994 /nfs/dbraw/zinc/50/39/94/912503994.db2.gz LUZGVKLAWXUDKW-BQBZGAKWSA-N -1 3 393.152 3.588 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001183417780 912504011 /nfs/dbraw/zinc/50/40/11/912504011.db2.gz LUZGVKLAWXUDKW-BQBZGAKWSA-N -1 3 393.152 3.588 20 0 GHADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc21 ZINC000790634386 879871712 /nfs/dbraw/zinc/87/17/12/879871712.db2.gz LWQVEUWMGZAWJC-UHFFFAOYSA-N -1 3 384.423 3.975 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(C)c(OC)c4)CCC3)nc21 ZINC000494090123 879879159 /nfs/dbraw/zinc/87/91/59/879879159.db2.gz WELXQJNVDHQLEN-UHFFFAOYSA-N -1 3 393.443 3.727 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2csc(C3CCCCC3)n2)cc1OC ZINC000112336345 879894901 /nfs/dbraw/zinc/89/49/01/879894901.db2.gz UJVXFKIBNTXOLO-UHFFFAOYSA-N -1 3 390.505 3.999 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)c(Cl)cc3OC)nc21 ZINC000494115786 879913686 /nfs/dbraw/zinc/91/36/86/879913686.db2.gz OTZUIUIDPHISEP-UHFFFAOYSA-N -1 3 394.214 3.917 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC000854581507 879923145 /nfs/dbraw/zinc/92/31/45/879923145.db2.gz MPEOUFNFPBPAMR-UHFFFAOYSA-N -1 3 388.468 3.634 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1 ZINC000854638705 879968161 /nfs/dbraw/zinc/96/81/61/879968161.db2.gz HQWROBWAYGIYMU-CYBMUJFWSA-N -1 3 386.473 3.952 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C1CCC(C)CC1 ZINC000112688780 880085505 /nfs/dbraw/zinc/08/55/05/880085505.db2.gz JVCSHPVPBUSJBY-LKFRDORASA-N -1 3 381.520 3.921 20 0 GHADHM Cc1[nH]nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1Cl ZINC000790978057 880137397 /nfs/dbraw/zinc/13/73/97/880137397.db2.gz ADXQZSADRUGFGC-MRXNPFEDSA-N -1 3 398.850 3.577 20 0 GHADHM Cc1csc2nc(C)c(CN3CCN(Cc4ccc([O-])c(Cl)c4)CC3)n12 ZINC001183411209 912542430 /nfs/dbraw/zinc/54/24/30/912542430.db2.gz ZNIHGBKPFNTRCA-UHFFFAOYSA-N -1 3 390.940 3.689 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000184186467 880244509 /nfs/dbraw/zinc/24/45/09/880244509.db2.gz YIALTVOSCXSNPT-UHFFFAOYSA-N -1 3 392.459 3.562 20 0 GHADHM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791357216 880368944 /nfs/dbraw/zinc/36/89/44/880368944.db2.gz OIXDYBMBRQIBMY-LLVKDONJSA-N -1 3 388.518 3.527 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc2n[n-]nc21 ZINC000855814130 880781980 /nfs/dbraw/zinc/78/19/80/880781980.db2.gz UJQMNZVEJPVMTG-INIZCTEOSA-N -1 3 393.447 3.722 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(N2CCOC2=O)c1 ZINC000792093911 880924266 /nfs/dbraw/zinc/92/42/66/880924266.db2.gz POFCBFVMTQCHKM-CQSZACIVSA-N -1 3 376.412 3.993 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000792194108 880981861 /nfs/dbraw/zinc/98/18/61/880981861.db2.gz GEVOVSISHYEAEG-KBXCAEBGSA-N -1 3 384.476 3.921 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792486206 881139856 /nfs/dbraw/zinc/13/98/56/881139856.db2.gz QFQAIKUKDIROLC-RDTXWAMCSA-N -1 3 384.476 3.921 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOCC3CCC3)c2)cc1 ZINC000856343103 881151024 /nfs/dbraw/zinc/15/10/24/881151024.db2.gz UPGCFJWWDKDYCT-UHFFFAOYSA-N -1 3 388.489 3.566 20 0 GHADHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275208957 912649240 /nfs/dbraw/zinc/64/92/40/912649240.db2.gz IZQRPCDYIVEEEF-LIRRHRJNSA-N -1 3 395.341 3.910 20 0 GHADHM CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275208947 912649764 /nfs/dbraw/zinc/64/97/64/912649764.db2.gz IZQRPCDYIVEEEF-AUUYWEPGSA-N -1 3 395.341 3.910 20 0 GHADHM Cc1ncc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s1 ZINC000532140552 881281826 /nfs/dbraw/zinc/28/18/26/881281826.db2.gz BEORHGHZCQCKOW-UHFFFAOYSA-N -1 3 391.493 3.681 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000792612592 881338481 /nfs/dbraw/zinc/33/84/81/881338481.db2.gz MODJRGWMKZXMRO-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM CC1(C)CC[C@@](NCc2cnn(CC(F)(F)F)c2)(C(=O)[O-])c2ccccc21 ZINC000551055960 883192350 /nfs/dbraw/zinc/19/23/50/883192350.db2.gz YCMSZTBNSCJHON-SFHVURJKSA-N -1 3 381.398 3.587 20 0 GHADHM CC(C)SCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551072683 883234456 /nfs/dbraw/zinc/23/44/56/883234456.db2.gz YQEBCHFDRDXUQY-UHFFFAOYSA-N -1 3 380.271 3.926 20 0 GHADHM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC001129896677 883313924 /nfs/dbraw/zinc/31/39/24/883313924.db2.gz SHCANASOACFPMF-HZPDHXFCSA-N -1 3 380.410 3.759 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC001129896676 883314399 /nfs/dbraw/zinc/31/43/99/883314399.db2.gz SHCANASOACFPMF-HOTGVXAUSA-N -1 3 380.410 3.759 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCCCC[C@@H]2c2ccccc2)[n-]1 ZINC000640308640 883326559 /nfs/dbraw/zinc/32/65/59/883326559.db2.gz JNPYEIGGQJWCPR-OAHLLOKOSA-N -1 3 377.286 3.754 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135570884 883451491 /nfs/dbraw/zinc/45/14/91/883451491.db2.gz BVOOYTLECSOSMZ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135570884 883451498 /nfs/dbraw/zinc/45/14/98/883451498.db2.gz BVOOYTLECSOSMZ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263053974 883512490 /nfs/dbraw/zinc/51/24/90/883512490.db2.gz DTMAXEBNCJPASG-CYBMUJFWSA-N -1 3 387.307 3.529 20 0 GHADHM CC(C)(C)SCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000804986972 883529876 /nfs/dbraw/zinc/52/98/76/883529876.db2.gz POOKNNGFEUOFTE-UHFFFAOYSA-N -1 3 375.409 3.534 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(CNCc2ncc(Br)cc2[O-])c1 ZINC001183674795 912720276 /nfs/dbraw/zinc/72/02/76/912720276.db2.gz ZOOWSDJODJSARL-UHFFFAOYSA-N -1 3 393.281 3.795 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000805121275 883582529 /nfs/dbraw/zinc/58/25/29/883582529.db2.gz BGVMCCRVVBKTKP-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)Cn2ncc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000551285805 883601277 /nfs/dbraw/zinc/60/12/77/883601277.db2.gz TWBORLLPULAAGI-AWEZNQCLSA-N -1 3 397.479 3.554 20 0 GHADHM CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000116712514 883772886 /nfs/dbraw/zinc/77/28/86/883772886.db2.gz YZMQRONLNGQHQE-UHFFFAOYSA-N -1 3 388.489 3.611 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1cccc(Cl)c1F ZINC000032436121 883780888 /nfs/dbraw/zinc/78/08/88/883780888.db2.gz LPUOMJWCGYYYNE-UHFFFAOYSA-N -1 3 383.872 3.506 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000024577682 883918992 /nfs/dbraw/zinc/91/89/92/883918992.db2.gz NPNBLQOKKQDETB-UHFFFAOYSA-N -1 3 383.351 3.572 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CC)c(Cl)cc1Cl ZINC000914509549 883927274 /nfs/dbraw/zinc/92/72/74/883927274.db2.gz OTTLXKJWLBQADY-JTQLQIEISA-N -1 3 381.325 3.552 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 ZINC000194864623 883968324 /nfs/dbraw/zinc/96/83/24/883968324.db2.gz OBSGEVPOBJXPHR-KRWDZBQOSA-N -1 3 389.502 3.937 20 0 GHADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc(Oc4cccc(F)c4)cc3)C2)nn1 ZINC000859814169 884084519 /nfs/dbraw/zinc/08/45/19/884084519.db2.gz IDKCIDCNWCRFKO-QGZVFWFLSA-N -1 3 396.422 3.745 20 0 GHADHM CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000805761951 884091926 /nfs/dbraw/zinc/09/19/26/884091926.db2.gz APAPCQQVTORLPM-AWEZNQCLSA-N -1 3 398.463 3.524 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nn1 ZINC000130069027 884131017 /nfs/dbraw/zinc/13/10/17/884131017.db2.gz MOURLQFAGGOCIG-UHFFFAOYSA-N -1 3 376.873 3.748 20 0 GHADHM O=C(CN1c2ccccc2CCCC1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476154348 884147981 /nfs/dbraw/zinc/14/79/81/884147981.db2.gz LNTAQIHWXZQVTG-UHFFFAOYSA-N -1 3 378.350 3.719 20 0 GHADHM CCOc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914602753 884294754 /nfs/dbraw/zinc/29/47/54/884294754.db2.gz QTSHABLLLMCFQB-UHFFFAOYSA-N -1 3 395.452 3.520 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC/C(Cl)=C\Cl)cc(C(F)(F)F)c1 ZINC000795778620 912810668 /nfs/dbraw/zinc/81/06/68/912810668.db2.gz QXXCXMJTSHQVTB-WEVVVXLNSA-N -1 3 392.182 3.553 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC/C(Cl)=C/Cl)cc(C(F)(F)F)c1 ZINC000795778617 912810984 /nfs/dbraw/zinc/81/09/84/912810984.db2.gz QXXCXMJTSHQVTB-UITAMQMPSA-N -1 3 392.182 3.553 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000476262744 884350070 /nfs/dbraw/zinc/35/00/70/884350070.db2.gz WDIPFWWDALQTQL-UHFFFAOYSA-N -1 3 390.358 3.912 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc2ccccc21 ZINC000263170929 884360003 /nfs/dbraw/zinc/36/00/03/884360003.db2.gz RZACITOKSVTKDM-OKZBNKHCSA-N -1 3 382.504 3.982 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000476330618 884403042 /nfs/dbraw/zinc/40/30/42/884403042.db2.gz ZJGDOTWQOBZQIR-ZDUSSCGKSA-N -1 3 381.473 3.827 20 0 GHADHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)CC2(C)CCCCC2)n1 ZINC000476311146 884407115 /nfs/dbraw/zinc/40/71/15/884407115.db2.gz GAVPZTVUZFSQOU-CQSZACIVSA-N -1 3 393.509 3.696 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OCCOC)c1 ZINC000475826987 884514500 /nfs/dbraw/zinc/51/45/00/884514500.db2.gz CBVTZWDYGMYXDS-UHFFFAOYSA-N -1 3 397.880 3.759 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F ZINC000914710107 884565186 /nfs/dbraw/zinc/56/51/86/884565186.db2.gz NGCBHSZRBZODIC-UHFFFAOYSA-N -1 3 378.469 3.888 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000032595422 884575395 /nfs/dbraw/zinc/57/53/95/884575395.db2.gz RRLWNDBCBDAGHP-UHFFFAOYSA-N -1 3 398.488 3.658 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221316 884638947 /nfs/dbraw/zinc/63/89/47/884638947.db2.gz JVUCMBWPIPCXIB-ZIAGYGMSSA-N -1 3 381.398 3.719 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)Cc2ccccc2C(F)(F)F)[n-]1 ZINC001183945516 912897917 /nfs/dbraw/zinc/89/79/17/912897917.db2.gz BBLLNFXQSAXIGC-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)Cc2ccccc2C(F)(F)F)c[n-]1 ZINC001183945516 912897931 /nfs/dbraw/zinc/89/79/31/912897931.db2.gz BBLLNFXQSAXIGC-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(Cl)c1[O-] ZINC000193265551 885154057 /nfs/dbraw/zinc/15/40/57/885154057.db2.gz NYTQNODZBZDCKC-INIZCTEOSA-N -1 3 392.883 3.994 20 0 GHADHM O=C(NCc1cccc(COCc2ccco2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053501320 885248788 /nfs/dbraw/zinc/24/87/88/885248788.db2.gz HTOPYKZBCLSTAP-UHFFFAOYSA-N -1 3 388.423 3.768 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)C(C)(C)Cc1ccccc1C(F)(F)F ZINC001183946485 912919605 /nfs/dbraw/zinc/91/96/05/912919605.db2.gz NBBNEBFSQHBAJE-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)C(C)(C)Cc1ccccc1C(F)(F)F ZINC001183946485 912919613 /nfs/dbraw/zinc/91/96/13/912919613.db2.gz NBBNEBFSQHBAJE-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)n[n-]2)o1 ZINC000919328098 885339808 /nfs/dbraw/zinc/33/98/08/885339808.db2.gz LVSLBASBLHPTJB-UHFFFAOYSA-N -1 3 377.759 3.566 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)[n-]n2)o1 ZINC000919328098 885339832 /nfs/dbraw/zinc/33/98/32/885339832.db2.gz LVSLBASBLHPTJB-UHFFFAOYSA-N -1 3 377.759 3.566 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)n[n-]2)o1 ZINC000919327457 885340312 /nfs/dbraw/zinc/34/03/12/885340312.db2.gz ZQTKQMAQWLPJJT-AWEZNQCLSA-N -1 3 379.416 3.503 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)[n-]n2)o1 ZINC000919327457 885340332 /nfs/dbraw/zinc/34/03/32/885340332.db2.gz ZQTKQMAQWLPJJT-AWEZNQCLSA-N -1 3 379.416 3.503 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000130972149 885391765 /nfs/dbraw/zinc/39/17/65/885391765.db2.gz DFKLPTQCEYJAND-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000130993308 885406141 /nfs/dbraw/zinc/40/61/41/885406141.db2.gz ZZKNRBNIJGAKBX-UHFFFAOYSA-N -1 3 394.500 3.550 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc3ccccc23)cc1OC ZINC000072005610 885421691 /nfs/dbraw/zinc/42/16/91/885421691.db2.gz DSVKDVAADQETLB-UHFFFAOYSA-N -1 3 390.486 3.924 20 0 GHADHM CC(C)(C)OC(=O)C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000532518119 885916828 /nfs/dbraw/zinc/91/68/28/885916828.db2.gz OKGMPYBOVUTQEZ-UHFFFAOYSA-N -1 3 383.448 3.635 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(F)cc1F ZINC000055581516 886089823 /nfs/dbraw/zinc/08/98/23/886089823.db2.gz PJZGAEWOMNFMOM-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1 ZINC000055619559 886094500 /nfs/dbraw/zinc/09/45/00/886094500.db2.gz AUVWFBXUAURYDS-UHFFFAOYSA-N -1 3 397.294 3.825 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000808339533 886275013 /nfs/dbraw/zinc/27/50/13/886275013.db2.gz UPAGSBJCIXPVLH-MEBBXXQBSA-N -1 3 393.814 3.759 20 0 GHADHM CCOc1ccc(CN(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640289815 886359988 /nfs/dbraw/zinc/35/99/88/886359988.db2.gz IVPRNJQWVIRAJN-UHFFFAOYSA-N -1 3 390.793 3.583 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3ccc(Br)cc3s2)n1 ZINC000862432654 886375839 /nfs/dbraw/zinc/37/58/39/886375839.db2.gz MBALKAWRQLYZDW-UHFFFAOYSA-N -1 3 393.310 3.888 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nn1-c1ccccc1 ZINC000131641737 886398842 /nfs/dbraw/zinc/39/88/42/886398842.db2.gz CQYYLNUWKFYCGW-UHFFFAOYSA-N -1 3 398.488 3.620 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)nn1 ZINC000131652757 886413725 /nfs/dbraw/zinc/41/37/25/886413725.db2.gz YJDXXOBDWDNSNW-UHFFFAOYSA-N -1 3 384.509 3.754 20 0 GHADHM CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000118974093 886419152 /nfs/dbraw/zinc/41/91/52/886419152.db2.gz MMTYGRKTUQJGEA-HNNXBMFYSA-N -1 3 381.432 3.681 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](c3ccccc3)C(C)(C)CO)nc2)n1 ZINC000120806265 886531358 /nfs/dbraw/zinc/53/13/58/886531358.db2.gz KBHGLDYKIPOGFJ-LJQANCHMSA-N -1 3 392.503 3.609 20 0 GHADHM COc1cc(C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1[O-] ZINC000762613565 886539192 /nfs/dbraw/zinc/53/91/92/886539192.db2.gz UAKKVCMKYYBFNL-UHFFFAOYSA-N -1 3 389.404 3.976 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000173475159 886554600 /nfs/dbraw/zinc/55/46/00/886554600.db2.gz KWICCAPPHUULAB-JTSKRJEESA-N -1 3 376.456 3.734 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COC/C=C/c3ccccc3)c2)n1 ZINC000132166791 886711725 /nfs/dbraw/zinc/71/17/25/886711725.db2.gz ZICLKOVFLVNUCP-JXMROGBWSA-N -1 3 389.455 3.668 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000762812366 886823368 /nfs/dbraw/zinc/82/33/68/886823368.db2.gz LUSCRCDHQXUXAO-KECPUOCWSA-N -1 3 376.884 3.969 20 0 GHADHM COCO[C@H](C)c1cc(F)c(C=Cc2nccc(=O)[n-]2)cc1Br ZINC000863185735 886909424 /nfs/dbraw/zinc/90/94/24/886909424.db2.gz AKBJYHICBUIXLV-UMBAGQNISA-N -1 3 383.217 3.936 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053310980 886985942 /nfs/dbraw/zinc/98/59/42/886985942.db2.gz ONVICSZEYBYTBS-SFHVURJKSA-N -1 3 394.496 3.870 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000459315857 887317295 /nfs/dbraw/zinc/31/72/95/887317295.db2.gz YGCUJUWIZSIRLU-PXNSSMCTSA-N -1 3 393.915 3.840 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000153722091 887423253 /nfs/dbraw/zinc/42/32/53/887423253.db2.gz GUGVWTAGAARXPH-MRXNPFEDSA-N -1 3 392.455 3.856 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3cccs3)n2)c1 ZINC000026791570 887622960 /nfs/dbraw/zinc/62/29/60/887622960.db2.gz SFJZPMNLPWOANW-UHFFFAOYSA-N -1 3 382.463 3.667 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ncc(C2(O)CCCCC2)s1 ZINC000809776497 887766363 /nfs/dbraw/zinc/76/63/63/887766363.db2.gz GTSNCGISCZVMEO-UHFFFAOYSA-N -1 3 375.372 3.862 20 0 GHADHM Cc1cc([C@@H](NCc2ccc(C(=O)N3CCCC3)cc2)C(=O)[O-])ccc1Cl ZINC000864508228 887813851 /nfs/dbraw/zinc/81/38/51/887813851.db2.gz WXDDDZDCIHXXSF-LJQANCHMSA-N -1 3 386.879 3.800 20 0 GHADHM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000054104155 887857169 /nfs/dbraw/zinc/85/71/69/887857169.db2.gz ZHMHZOWOGLEGRC-UHFFFAOYSA-N -1 3 395.890 3.576 20 0 GHADHM O=c1[n-]c(CSc2nc(C(F)(F)F)nc3ccccc32)nc2c1COCC2 ZINC000865348091 888309431 /nfs/dbraw/zinc/30/94/31/888309431.db2.gz BKIBUJLTDZBAGF-UHFFFAOYSA-N -1 3 394.378 3.509 20 0 GHADHM COc1cc(C)ccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000614860032 888327846 /nfs/dbraw/zinc/32/78/46/888327846.db2.gz CGDRSYRMVDZDQX-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000810361784 888455954 /nfs/dbraw/zinc/45/59/54/888455954.db2.gz LUBFYPMWRLJBNB-LBPRGKRZSA-N -1 3 382.888 3.811 20 0 GHADHM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000763296865 888465530 /nfs/dbraw/zinc/46/55/30/888465530.db2.gz DCYHAUBFPUAQJZ-UHFFFAOYSA-N -1 3 389.473 3.524 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000153782157 888561654 /nfs/dbraw/zinc/56/16/54/888561654.db2.gz WKKNWSXAGMRDIR-HNNXBMFYSA-N -1 3 376.460 3.863 20 0 GHADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132323357 888637595 /nfs/dbraw/zinc/63/75/95/888637595.db2.gz PEKFYRIAWDSPFN-NSHDSACASA-N -1 3 375.560 3.621 20 0 GHADHM Cc1ccccc1C1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)COC1 ZINC001184531206 913266812 /nfs/dbraw/zinc/26/68/12/913266812.db2.gz OEZMGNGETRABHQ-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123323336 888672268 /nfs/dbraw/zinc/67/22/68/888672268.db2.gz BXCRFJYMIWKGAE-WBVHZDCISA-N -1 3 381.350 3.712 20 0 GHADHM Cc1nccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1Cl ZINC000153868558 888757389 /nfs/dbraw/zinc/75/73/89/888757389.db2.gz PAYJVOUBQVPKMR-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(=O)[n-]1 ZINC000916162772 888780111 /nfs/dbraw/zinc/78/01/11/888780111.db2.gz BDUDCLTXNWTNLC-SFHVURJKSA-N -1 3 385.514 3.639 20 0 GHADHM CC(C)(C)CC(C)(C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132542437 889048128 /nfs/dbraw/zinc/04/81/28/889048128.db2.gz OMOLHDQIGFQUJX-UHFFFAOYSA-N -1 3 375.560 3.621 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032856509 889051213 /nfs/dbraw/zinc/05/12/13/889051213.db2.gz QDKYGGNIFYRPFZ-INIZCTEOSA-N -1 3 396.424 3.581 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000532853585 889087630 /nfs/dbraw/zinc/08/76/30/889087630.db2.gz JYTCOKLNTXMMQU-INIZCTEOSA-N -1 3 379.894 3.568 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1COc2ccccc21 ZINC000532856271 889094225 /nfs/dbraw/zinc/09/42/25/889094225.db2.gz DNBNOFBFXMXXAC-GWCFXTLKSA-N -1 3 389.370 3.688 20 0 GHADHM CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000532857114 889097174 /nfs/dbraw/zinc/09/71/74/889097174.db2.gz ZTXPGCLGDVONKG-UHFFFAOYSA-N -1 3 389.260 3.754 20 0 GHADHM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811393793 889534338 /nfs/dbraw/zinc/53/43/38/889534338.db2.gz SDAFMIFVYHEVDM-JTQLQIEISA-N -1 3 392.864 3.753 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCc1ccco1 ZINC000811393818 889534461 /nfs/dbraw/zinc/53/44/61/889534461.db2.gz SNMKKWDGHNBRBS-CQSZACIVSA-N -1 3 380.853 3.974 20 0 GHADHM COc1cccc(CN(C)C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811393623 889536015 /nfs/dbraw/zinc/53/60/15/889536015.db2.gz NXPXSJHAXXBYCZ-UHFFFAOYSA-N -1 3 392.864 3.707 20 0 GHADHM O=c1[n-]c(CN2CCc3c(cnn3-c3ccccc3)C2)nc2c3ccccc3oc21 ZINC000533019631 889568174 /nfs/dbraw/zinc/56/81/74/889568174.db2.gz OWHZTBRULPHYRB-UHFFFAOYSA-N -1 3 397.438 3.826 20 0 GHADHM CC[C@@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC000868778369 889591560 /nfs/dbraw/zinc/59/15/60/889591560.db2.gz WENQPXXFTGNCQM-UKRRQHHQSA-N -1 3 383.414 3.557 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1)C(F)(F)F ZINC000811514085 889708360 /nfs/dbraw/zinc/70/83/60/889708360.db2.gz BHEIDXLWXBVTTB-LBPRGKRZSA-N -1 3 375.460 3.691 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1OCC ZINC000017319939 889717827 /nfs/dbraw/zinc/71/78/27/889717827.db2.gz URVLFRDIBLWDOJ-UHFFFAOYSA-N -1 3 390.505 3.885 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](COCc2ccccc2)c2ccccc2)s1 ZINC000533176103 889905502 /nfs/dbraw/zinc/90/55/02/889905502.db2.gz MUNWNASCWSJSKV-GOSISDBHSA-N -1 3 388.514 3.688 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1Cl ZINC000533179304 889918150 /nfs/dbraw/zinc/91/81/50/889918150.db2.gz GFRCOYCFXSFVID-NILFDRSVSA-N -1 3 376.305 3.619 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000125249042 889924228 /nfs/dbraw/zinc/92/42/28/889924228.db2.gz BDVBRMUPOBOHHU-NSHDSACASA-N -1 3 399.843 3.741 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000125323826 889954343 /nfs/dbraw/zinc/95/43/43/889954343.db2.gz ZTTBDTKCQUEOCO-QGZVFWFLSA-N -1 3 398.356 3.562 20 0 GHADHM O=S(=O)(C=Cc1ccc(Br)cc1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811831636 890015775 /nfs/dbraw/zinc/01/57/75/890015775.db2.gz BVSRRYAXKWOPQH-WAYWQWQTSA-N -1 3 396.188 3.604 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)cc1F ZINC000869720552 890050779 /nfs/dbraw/zinc/05/07/79/890050779.db2.gz WDJLCHPWLZSPTI-UHFFFAOYSA-N -1 3 396.260 3.788 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1)C(F)(F)F ZINC000811910055 890077434 /nfs/dbraw/zinc/07/74/34/890077434.db2.gz SMGRGGLXTQYQDN-OAHLLOKOSA-N -1 3 397.441 3.554 20 0 GHADHM CC(C)CC1(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000811892869 890093787 /nfs/dbraw/zinc/09/37/87/890093787.db2.gz GYCTYNBZRWDPJR-HNNXBMFYSA-N -1 3 391.478 3.693 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3OC3CCCC3)nc21 ZINC001127418341 890143773 /nfs/dbraw/zinc/14/37/73/890143773.db2.gz IKCYJAWQFQYHRV-UHFFFAOYSA-N -1 3 393.443 3.852 20 0 GHADHM CC(C)C[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811993250 890211743 /nfs/dbraw/zinc/21/17/43/890211743.db2.gz JIEXMKOHSQIAFZ-RDJZCZTQSA-N -1 3 399.457 3.874 20 0 GHADHM CC(C)(C)[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812003477 890228256 /nfs/dbraw/zinc/22/82/56/890228256.db2.gz DZIXULIGPSXVMA-GDBMZVCRSA-N -1 3 399.457 3.874 20 0 GHADHM O=c1[n-]c(CN2CCC(Oc3ccccn3)CC2)nc2c3ccccc3oc21 ZINC000533393075 890447695 /nfs/dbraw/zinc/44/76/95/890447695.db2.gz CBSMVNAQBOGORV-UHFFFAOYSA-N -1 3 376.416 3.520 20 0 GHADHM COc1cccc([N-]S(=O)(=O)CCc2ccccc2Br)c1F ZINC000812270711 890490031 /nfs/dbraw/zinc/49/00/31/890490031.db2.gz NMOCIKFEKQIDBN-UHFFFAOYSA-N -1 3 388.258 3.581 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(=O)C1CCCCC1 ZINC000126453011 890543584 /nfs/dbraw/zinc/54/35/84/890543584.db2.gz JFZMQOROWOLQGA-NSHDSACASA-N -1 3 383.286 3.568 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000126454230 890543617 /nfs/dbraw/zinc/54/36/17/890543617.db2.gz MDOBDVLGIMHINT-LPHOPBHVSA-N -1 3 385.512 3.885 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000126454230 890543624 /nfs/dbraw/zinc/54/36/24/890543624.db2.gz MDOBDVLGIMHINT-LPHOPBHVSA-N -1 3 385.512 3.885 20 0 GHADHM Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000126494296 890564244 /nfs/dbraw/zinc/56/42/44/890564244.db2.gz IFHFZDBMECQXJR-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000812403017 890586412 /nfs/dbraw/zinc/58/64/12/890586412.db2.gz MKRDESHYNSOCNX-DBGMKRSLSA-N -1 3 391.682 3.646 20 0 GHADHM C[C@@H](CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)n1cccc1 ZINC000871312701 890744905 /nfs/dbraw/zinc/74/49/05/890744905.db2.gz BEWJNJSCBYQNAK-LSDHHAIUSA-N -1 3 393.409 3.638 20 0 GHADHM CC[C@H](CC(F)F)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315386 890750391 /nfs/dbraw/zinc/75/03/91/890750391.db2.gz CCAWXROWUOMJNH-NEPJUHHUSA-N -1 3 392.368 3.867 20 0 GHADHM O=C(CCCC(F)(F)F)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315448 890750428 /nfs/dbraw/zinc/75/04/28/890750428.db2.gz JEFYOEDRGQALDC-NSHDSACASA-N -1 3 396.331 3.918 20 0 GHADHM O=S(=O)([N-]Cc1cc(C(F)(F)F)ccc1Cl)c1cccnc1Cl ZINC001184888317 913484376 /nfs/dbraw/zinc/48/43/76/913484376.db2.gz PWPMRZNKGQRSEQ-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCCC1)c1cccnc1Cl ZINC001184887995 913484654 /nfs/dbraw/zinc/48/46/54/913484654.db2.gz FKFOEIGTFMLQOR-UHFFFAOYSA-N -1 3 379.913 3.594 20 0 GHADHM O=C1CCCN1C[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459387034 891202083 /nfs/dbraw/zinc/20/20/83/891202083.db2.gz ITHREVFTAYNGMS-INIZCTEOSA-N -1 3 389.293 3.608 20 0 GHADHM CC(C)([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(F)cc1F ZINC001133555064 891202128 /nfs/dbraw/zinc/20/21/28/891202128.db2.gz QWIFISFYONYNEG-UHFFFAOYSA-N -1 3 392.356 3.824 20 0 GHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1cccc2cccnc21 ZINC000067139014 891206213 /nfs/dbraw/zinc/20/62/13/891206213.db2.gz HXYQETUMBZPMCU-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3noc4c3CC(C)(C)CC4)nc2)n1 ZINC000872718134 891309466 /nfs/dbraw/zinc/30/94/66/891309466.db2.gz IZWOSOWDCCAKKY-UHFFFAOYSA-N -1 3 379.464 3.922 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)CCC2 ZINC001212024082 891353724 /nfs/dbraw/zinc/35/37/24/891353724.db2.gz YZUIEJFIPXWLHP-KOSHJBKYSA-N -1 3 384.567 3.637 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2ccnc3ccnn32)no1 ZINC000813347038 891528593 /nfs/dbraw/zinc/52/85/93/891528593.db2.gz PWZNKIKTFPZWAG-UHFFFAOYSA-N -1 3 385.383 3.731 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCCCC(=O)[O-] ZINC000813355002 891535794 /nfs/dbraw/zinc/53/57/94/891535794.db2.gz SZXCBTCAPFLNRX-UHFFFAOYSA-N -1 3 375.778 3.807 20 0 GHADHM CCOC(=O)c1sc(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)nc1C ZINC000873646585 891724534 /nfs/dbraw/zinc/72/45/34/891724534.db2.gz OFHJXWQGZGUSHP-UHFFFAOYSA-N -1 3 388.489 3.706 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000030016947 891764509 /nfs/dbraw/zinc/76/45/09/891764509.db2.gz GNZJNSGVSASXAX-UHFFFAOYSA-N -1 3 398.459 3.534 20 0 GHADHM O=c1[n-]nc(SCc2cccc(Br)n2)n1CCc1ccccc1 ZINC000813568331 891785188 /nfs/dbraw/zinc/78/51/88/891785188.db2.gz LHYHSSZRYBOJKZ-UHFFFAOYSA-N -1 3 391.294 3.676 20 0 GHADHM Cc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1C ZINC001212098002 891971014 /nfs/dbraw/zinc/97/10/14/891971014.db2.gz TYVAWYPRAWMBMO-SFHVURJKSA-N -1 3 391.427 3.798 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000068199891 892033835 /nfs/dbraw/zinc/03/38/35/892033835.db2.gz UDOZNXNDUQHTSV-INIZCTEOSA-N -1 3 375.425 3.663 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)cc2)n1 ZINC000068225118 892064964 /nfs/dbraw/zinc/06/49/64/892064964.db2.gz VMZKOZLDSRBSHQ-OAHLLOKOSA-N -1 3 395.846 3.589 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(CN4CCCC4=O)cc3)c[n-]c12 ZINC000162301846 892177807 /nfs/dbraw/zinc/17/78/07/892177807.db2.gz DAJMMZKYIGECLO-UHFFFAOYSA-N -1 3 375.428 3.624 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000917604747 892273645 /nfs/dbraw/zinc/27/36/45/892273645.db2.gz XYXHYONHTJFGFE-ZFMLPXDISA-N -1 3 378.472 3.696 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000128725828 892333298 /nfs/dbraw/zinc/33/32/98/892333298.db2.gz UVCUXMQMQQQUIJ-LJQANCHMSA-N -1 3 389.386 3.620 20 0 GHADHM CCOC(=O)CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000917653399 892381211 /nfs/dbraw/zinc/38/12/11/892381211.db2.gz KJYMXKQEMGYBDT-UHFFFAOYSA-N -1 3 382.309 3.785 20 0 GHADHM CCc1cccc(Cc2cnc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)s2)c1 ZINC000497782692 892401280 /nfs/dbraw/zinc/40/12/80/892401280.db2.gz BACZYODFHOGUNE-UHFFFAOYSA-N -1 3 390.486 3.545 20 0 GHADHM COc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])c(OC2CCCC2)c1 ZINC000747936514 892576212 /nfs/dbraw/zinc/57/62/12/892576212.db2.gz USPNSSAXGXDQEA-UHFFFAOYSA-N -1 3 393.443 3.595 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(Cc4ccccc4)s3)nc21 ZINC000162545233 892673454 /nfs/dbraw/zinc/67/34/54/892673454.db2.gz KEYWYDBOJLUFDQ-UHFFFAOYSA-N -1 3 392.440 3.649 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000917912205 892807445 /nfs/dbraw/zinc/80/74/45/892807445.db2.gz UTGAYTHJBWHRPJ-UHFFFAOYSA-N -1 3 397.324 3.529 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cccs1 ZINC000917931137 892844257 /nfs/dbraw/zinc/84/42/57/892844257.db2.gz JLQWXTRDMHYHMN-CYBMUJFWSA-N -1 3 375.947 3.899 20 0 GHADHM CN(CC(=O)NCCC1=CCCCC1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000933361322 893018867 /nfs/dbraw/zinc/01/88/67/893018867.db2.gz FRMFIOQSJSRBDS-UHFFFAOYSA-N -1 3 394.475 3.520 20 0 GHADHM CN1CCO[C@H]([C@H](NCc2cccc([O-])c2Cl)c2ccc(Cl)cc2)C1 ZINC000645171243 913725343 /nfs/dbraw/zinc/72/53/43/913725343.db2.gz WFZLEKGPDVDVOW-PKOBYXMFSA-N -1 3 381.303 3.861 20 0 GHADHM CCOC(=O)n1nc2c(c1[N-]c1nc(CC)c(CC)nc1Cl)CNC2(C)C ZINC001170756661 893062772 /nfs/dbraw/zinc/06/27/72/893062772.db2.gz OSNUTYFYIVYYRZ-UHFFFAOYSA-N -1 3 392.891 3.538 20 0 GHADHM Cn1ccnc1[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)cc1F ZINC001134668980 893172390 /nfs/dbraw/zinc/17/23/90/893172390.db2.gz GSKAYWUZOIRHCU-MRXNPFEDSA-N -1 3 399.294 3.774 20 0 GHADHM CC(C)c1ocnc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000747980262 893208444 /nfs/dbraw/zinc/20/84/44/893208444.db2.gz PRAZFHFONTVMCH-UHFFFAOYSA-N -1 3 391.855 3.648 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 ZINC000533873588 893343726 /nfs/dbraw/zinc/34/37/26/893343726.db2.gz NXRJNIPBJFBDGY-UHFFFAOYSA-N -1 3 388.851 3.933 20 0 GHADHM CCOc1cc(CN[C@H](C)c2ncc(Br)cn2)cc(Cl)c1[O-] ZINC000459586224 893822410 /nfs/dbraw/zinc/82/24/10/893822410.db2.gz JCSSCJAEMATLKM-SECBINFHSA-N -1 3 386.677 3.848 20 0 GHADHM COc1ccc(CN(C)Cc2nnc(-c3ccccc3[O-])o2)cc1OC(F)F ZINC000877958741 893913558 /nfs/dbraw/zinc/91/35/58/893913558.db2.gz WUMFFVIXQXWDLS-UHFFFAOYSA-N -1 3 391.374 3.684 20 0 GHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000498302571 894014694 /nfs/dbraw/zinc/01/46/94/894014694.db2.gz FZOZTTUVZQYUJE-MRVPVSSYSA-N -1 3 375.778 3.912 20 0 GHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000498302572 894014869 /nfs/dbraw/zinc/01/48/69/894014869.db2.gz FZOZTTUVZQYUJE-QMMMGPOBSA-N -1 3 375.778 3.912 20 0 GHADHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000536902080 894074375 /nfs/dbraw/zinc/07/43/75/894074375.db2.gz YQXMATIGHNIWEH-UHFFFAOYSA-N -1 3 391.493 3.805 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878189729 894081806 /nfs/dbraw/zinc/08/18/06/894081806.db2.gz BARWOWXZYJEPJB-SNVBAGLBSA-N -1 3 380.275 3.681 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000748022193 894154701 /nfs/dbraw/zinc/15/47/01/894154701.db2.gz KNIPWEXPSMDDMZ-SECBINFHSA-N -1 3 388.415 3.943 20 0 GHADHM CN(C)c1ccc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CC2)cc1 ZINC000815836897 894248448 /nfs/dbraw/zinc/24/84/48/894248448.db2.gz SGVBUNQBTPVJFT-UHFFFAOYSA-N -1 3 389.293 3.569 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2ccc(C3SCCS3)cc2OC)c[n-]1 ZINC000815903510 894279844 /nfs/dbraw/zinc/27/98/44/894279844.db2.gz UCLBWOYQVYIWOB-UHFFFAOYSA-N -1 3 379.459 3.508 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C)c2ccc(NC(=O)c3ccccc3)cc2)c[n-]1 ZINC000815928462 894306308 /nfs/dbraw/zinc/30/63/08/894306308.db2.gz JOYLMHDSJFUFIL-CQSZACIVSA-N -1 3 392.411 3.972 20 0 GHADHM O=c1[n-]c(CN2CCC(c3c(Cl)cccc3Cl)CC2)nc2c1COCC2 ZINC000878623664 894448840 /nfs/dbraw/zinc/44/88/40/894448840.db2.gz UDLRQHSSOJHVHI-UHFFFAOYSA-N -1 3 394.302 3.941 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1F ZINC000537184019 894538774 /nfs/dbraw/zinc/53/87/74/894538774.db2.gz XCHYACHUYOGMOF-CZUORRHYSA-N -1 3 391.798 3.566 20 0 GHADHM CNC(=O)c1cccc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826073257 894592531 /nfs/dbraw/zinc/59/25/31/894592531.db2.gz LQUJNMXNOKLCNK-UHFFFAOYSA-N -1 3 393.394 3.537 20 0 GHADHM CNC(=O)c1cccc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826073257 894592538 /nfs/dbraw/zinc/59/25/38/894592538.db2.gz LQUJNMXNOKLCNK-UHFFFAOYSA-N -1 3 393.394 3.537 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000564146595 894647808 /nfs/dbraw/zinc/64/78/08/894647808.db2.gz CRWQIWLNNSGJGG-CYBMUJFWSA-N -1 3 386.448 3.529 20 0 GHADHM CCc1c(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cnn1CCC(C)C ZINC000935639876 894691715 /nfs/dbraw/zinc/69/17/15/894691715.db2.gz RUWOCOYMRIBPJT-UHFFFAOYSA-N -1 3 388.418 3.864 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)c(F)c1 ZINC000460138807 894753100 /nfs/dbraw/zinc/75/31/00/894753100.db2.gz JSIVYUCRNWFTQU-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM COc1cc(CNS(=O)(=O)c2cc3ccccc3s2)cc(Cl)c1[O-] ZINC001185481912 913900591 /nfs/dbraw/zinc/90/05/91/913900591.db2.gz WWYHNELHGGTIRK-UHFFFAOYSA-N -1 3 383.878 3.747 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1OC ZINC000666865688 895062926 /nfs/dbraw/zinc/06/29/26/895062926.db2.gz WTJAUVVGKKGELQ-HUUCEWRRSA-N -1 3 380.510 3.612 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023346359 895083652 /nfs/dbraw/zinc/08/36/52/895083652.db2.gz CDZKQBHNGZVDLG-UHFFFAOYSA-N -1 3 394.456 3.827 20 0 GHADHM O=C([N-]c1nc(-c2ccc3c(c2)OCO3)cs1)c1conc1C(F)(F)F ZINC000816832808 895093593 /nfs/dbraw/zinc/09/35/93/895093593.db2.gz NVMVARMUVGXYEQ-UHFFFAOYSA-N -1 3 383.307 3.798 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccsc1 ZINC000816868971 895143172 /nfs/dbraw/zinc/14/31/72/895143172.db2.gz CHNQSSIBTMMPLN-HNNXBMFYSA-N -1 3 375.519 3.991 20 0 GHADHM C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000879645313 895197559 /nfs/dbraw/zinc/19/75/59/895197559.db2.gz NYZWHCGEKZYICK-IBGZPJMESA-N -1 3 393.409 3.785 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CF)c(Cl)cc1Cl ZINC000817126932 895346987 /nfs/dbraw/zinc/34/69/87/895346987.db2.gz RCNULIYJFBRFCO-ZJUUUORDSA-N -1 3 399.315 3.548 20 0 GHADHM Cc1c(-c2cc(CN3CCC(Cc4ccccc4C(=O)[O-])CC3)on2)cnn1C ZINC000565254819 895479093 /nfs/dbraw/zinc/47/90/93/895479093.db2.gz PGPGYIYPTNKIME-UHFFFAOYSA-N -1 3 394.475 3.536 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000565348063 895554396 /nfs/dbraw/zinc/55/43/96/895554396.db2.gz SQNSSQXKFSQWHX-FQEVSTJZSA-N -1 3 394.519 3.500 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cc(F)cc(F)c3)c2)n1 ZINC000565981639 896025066 /nfs/dbraw/zinc/02/50/66/896025066.db2.gz HZGPZJQQHMVRAJ-UHFFFAOYSA-N -1 3 385.370 3.707 20 0 GHADHM O=c1nc(Cn2cc([C@@H]3CCCCO3)nn2)[n-]c2scc(-c3ccccc3)c21 ZINC000880993318 896052061 /nfs/dbraw/zinc/05/20/61/896052061.db2.gz VBUSJONCVFCLIU-INIZCTEOSA-N -1 3 393.472 3.945 20 0 GHADHM COc1ccc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826201843 896216403 /nfs/dbraw/zinc/21/64/03/896216403.db2.gz GGOGCSQCBLBZLW-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826201843 896216420 /nfs/dbraw/zinc/21/64/20/896216420.db2.gz GGOGCSQCBLBZLW-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM CC(C)(C)OCCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000566368029 896260203 /nfs/dbraw/zinc/26/02/03/896260203.db2.gz JODVDNCHWDHIDO-MRXNPFEDSA-N -1 3 384.314 3.856 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(-c2ccc(O)cc2)n1 ZINC000818956988 896294813 /nfs/dbraw/zinc/29/48/13/896294813.db2.gz JERFYHZTYGVYPU-UHFFFAOYSA-N -1 3 388.474 3.514 20 0 GHADHM CCCc1coc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000566428029 896306217 /nfs/dbraw/zinc/30/62/17/896306217.db2.gz XTJNQOWFGZWJGL-UHFFFAOYSA-N -1 3 383.305 3.618 20 0 GHADHM Cc1nc2[nH]c(SCc3cc(=O)[n-]c(C4CC4)n3)nc2cc1Br ZINC000566548658 896372691 /nfs/dbraw/zinc/37/26/91/896372691.db2.gz MCYFTFZIIMGPNU-UHFFFAOYSA-N -1 3 392.282 3.694 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001185771294 914073467 /nfs/dbraw/zinc/07/34/67/914073467.db2.gz OWVQTJFRIRCPPT-JTQLQIEISA-N -1 3 395.349 3.773 20 0 GHADHM Cc1c(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n[nH]c1C1CC1 ZINC000826235288 896604655 /nfs/dbraw/zinc/60/46/55/896604655.db2.gz HDSBPCRUFNQHSH-UHFFFAOYSA-N -1 3 385.431 3.695 20 0 GHADHM Cc1c(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n[nH]c1C1CC1 ZINC000826235288 896604662 /nfs/dbraw/zinc/60/46/62/896604662.db2.gz HDSBPCRUFNQHSH-UHFFFAOYSA-N -1 3 385.431 3.695 20 0 GHADHM C[C@H](c1ccccc1Cl)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000566942066 896722368 /nfs/dbraw/zinc/72/23/68/896722368.db2.gz HZLWBTOMLKPOEX-CQSZACIVSA-N -1 3 391.874 3.773 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254664 896741313 /nfs/dbraw/zinc/74/13/13/896741313.db2.gz VVROIXMVHCBVKP-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254664 896741322 /nfs/dbraw/zinc/74/13/22/896741322.db2.gz VVROIXMVHCBVKP-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)sc1C ZINC000826260592 896748484 /nfs/dbraw/zinc/74/84/84/896748484.db2.gz WAEXSMOISXOXDO-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)sc1C ZINC000826260592 896748491 /nfs/dbraw/zinc/74/84/91/896748491.db2.gz WAEXSMOISXOXDO-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1N1CCOCC1 ZINC000826271440 896830663 /nfs/dbraw/zinc/83/06/63/896830663.db2.gz RFOWTBVNGYNUTM-HXUWFJFHSA-N -1 3 390.491 3.501 20 0 GHADHM Cc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1N1CCOCC1 ZINC000826271440 896830670 /nfs/dbraw/zinc/83/06/70/896830670.db2.gz RFOWTBVNGYNUTM-HXUWFJFHSA-N -1 3 390.491 3.501 20 0 GHADHM COC[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001137180593 896923640 /nfs/dbraw/zinc/92/36/40/896923640.db2.gz KARXFZFFMPFHKW-NRFANRHFSA-N -1 3 375.468 3.971 20 0 GHADHM Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000567212333 896971710 /nfs/dbraw/zinc/97/17/10/896971710.db2.gz UGIALDBFJDHQEI-UHFFFAOYSA-N -1 3 394.450 3.808 20 0 GHADHM COc1ccc2nc(CNC3CCN(c4ccc(C(=O)[O-])cc4)CC3)sc2c1 ZINC000567326214 897062563 /nfs/dbraw/zinc/06/25/63/897062563.db2.gz HGXIESZEWUGYAM-UHFFFAOYSA-N -1 3 397.500 3.762 20 0 GHADHM COc1ccc2c(c1)N(C(=O)c1c[n-]c3cc(F)c(OC)cc3c1=O)CCCC2 ZINC000567379468 897105909 /nfs/dbraw/zinc/10/59/09/897105909.db2.gz HTGJDSZALBVESS-UHFFFAOYSA-N -1 3 396.418 3.668 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000820108041 897162704 /nfs/dbraw/zinc/16/27/04/897162704.db2.gz GDFFCTWNCPRIOM-UHFFFAOYSA-N -1 3 390.491 3.560 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000820108041 897162712 /nfs/dbraw/zinc/16/27/12/897162712.db2.gz GDFFCTWNCPRIOM-UHFFFAOYSA-N -1 3 390.491 3.560 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2[C@H]1C ZINC000820151818 897192488 /nfs/dbraw/zinc/19/24/88/897192488.db2.gz NNUMUXQEQREQBY-CYBMUJFWSA-N -1 3 378.436 3.763 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2[C@H]1C ZINC000820151818 897192502 /nfs/dbraw/zinc/19/25/02/897192502.db2.gz NNUMUXQEQREQBY-CYBMUJFWSA-N -1 3 378.436 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342863 897281704 /nfs/dbraw/zinc/28/17/04/897281704.db2.gz XFOBZHCWWPRUID-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342863 897281716 /nfs/dbraw/zinc/28/17/16/897281716.db2.gz XFOBZHCWWPRUID-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM O=C(/C=C\c1ccc(I)o1)Nc1c([O-])cccc1Cl ZINC000820510529 897362571 /nfs/dbraw/zinc/36/25/71/897362571.db2.gz PKXJVDNWHNXHMC-ALCCZGGFSA-N -1 3 389.576 3.895 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820825687 897546623 /nfs/dbraw/zinc/54/66/23/897546623.db2.gz BDPRFINQFYIQSI-SNVBAGLBSA-N -1 3 386.362 3.577 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820825687 897546631 /nfs/dbraw/zinc/54/66/31/897546631.db2.gz BDPRFINQFYIQSI-SNVBAGLBSA-N -1 3 386.362 3.577 20 0 GHADHM COc1cccc([O-])c1C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001136406090 897668384 /nfs/dbraw/zinc/66/83/84/897668384.db2.gz HCOPOQGKHZBCSD-UHFFFAOYSA-N -1 3 379.460 3.784 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cc2ccc(F)cc2)c1 ZINC001185939039 914182904 /nfs/dbraw/zinc/18/29/04/914182904.db2.gz PNWCQPOTEKCVEE-UHFFFAOYSA-N -1 3 387.418 3.527 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cc2ccc(F)cc2)c1 ZINC001185939039 914182912 /nfs/dbraw/zinc/18/29/12/914182912.db2.gz PNWCQPOTEKCVEE-UHFFFAOYSA-N -1 3 387.418 3.527 20 0 GHADHM Cc1ncsc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826331494 897720474 /nfs/dbraw/zinc/72/04/74/897720474.db2.gz KRCBJCWOGDNHNK-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ncsc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826331494 897720485 /nfs/dbraw/zinc/72/04/85/897720485.db2.gz KRCBJCWOGDNHNK-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000821360989 897851920 /nfs/dbraw/zinc/85/19/20/897851920.db2.gz WXNXYGJHVQIXSQ-HHHXNRCGSA-N -1 3 388.485 3.526 20 0 GHADHM C[C@H](c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1)C(F)(F)F ZINC001275483006 914198298 /nfs/dbraw/zinc/19/82/98/914198298.db2.gz DWJIYVKHZFVWAJ-SECBINFHSA-N -1 3 379.317 3.924 20 0 GHADHM C[C@H](c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1)C(F)(F)F ZINC001275483006 914198309 /nfs/dbraw/zinc/19/83/09/914198309.db2.gz DWJIYVKHZFVWAJ-SECBINFHSA-N -1 3 379.317 3.924 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1NC(=O)CN1CCCCC1 ZINC001136455999 897905472 /nfs/dbraw/zinc/90/54/72/897905472.db2.gz SWTVQKABJUZBII-UHFFFAOYSA-N -1 3 385.439 3.516 20 0 GHADHM CCC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000102615428 898018678 /nfs/dbraw/zinc/01/86/78/898018678.db2.gz JDTMUZBEOORARH-KRWDZBQOSA-N -1 3 395.425 3.996 20 0 GHADHM FC(F)Oc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000826370062 898243096 /nfs/dbraw/zinc/24/30/96/898243096.db2.gz BSNFINHMIFWRRE-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826370062 898243110 /nfs/dbraw/zinc/24/31/10/898243110.db2.gz BSNFINHMIFWRRE-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000822427596 898364274 /nfs/dbraw/zinc/36/42/74/898364274.db2.gz QCAWQHJTIRUKFH-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000822427596 898364286 /nfs/dbraw/zinc/36/42/86/898364286.db2.gz QCAWQHJTIRUKFH-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)/C=C/c3ccccc3F)CCCCCC2)no1 ZINC000800007832 898494950 /nfs/dbraw/zinc/49/49/50/898494950.db2.gz LOBGKZABPXSVHN-JLHYYAGUSA-N -1 3 379.457 3.657 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1ccc2ccccc2c1 ZINC000800108250 898609716 /nfs/dbraw/zinc/60/97/16/898609716.db2.gz VKFGCTNKPISAPP-GHYICZDASA-N -1 3 399.443 3.783 20 0 GHADHM O=C(NCC(c1ccccc1)c1ccccc1)N[N-]C(=O)c1ccccc1F ZINC000043476299 898618969 /nfs/dbraw/zinc/61/89/69/898618969.db2.gz DXUZHTAKIZTLJG-UHFFFAOYSA-N -1 3 377.419 3.602 20 0 GHADHM O=C(OCc1ncc(-c2ccccc2Br)o1)c1cccc2nn[n-]c21 ZINC000800209156 898745741 /nfs/dbraw/zinc/74/57/41/898745741.db2.gz WKGRQOAYZIJLOK-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1ncc(-c2ccccc2Br)o1)c1cccc2[n-]nnc21 ZINC000800209156 898745750 /nfs/dbraw/zinc/74/57/50/898745750.db2.gz WKGRQOAYZIJLOK-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1ncc(-c2ccccc2Br)o1)c1cccc2n[n-]nc21 ZINC000800209156 898745758 /nfs/dbraw/zinc/74/57/58/898745758.db2.gz WKGRQOAYZIJLOK-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(C4CC4)s3)s2)cc1OC ZINC000569549357 898774859 /nfs/dbraw/zinc/77/48/59/898774859.db2.gz MVNUIYIUNHJWMD-UHFFFAOYSA-N -1 3 388.474 3.809 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000043784666 898944755 /nfs/dbraw/zinc/94/47/55/898944755.db2.gz KPMXUCIDKLBQKT-FQEVSTJZSA-N -1 3 377.419 3.754 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823557913 899111532 /nfs/dbraw/zinc/11/15/32/899111532.db2.gz VQGOOSPWIISOOL-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646199182 914318416 /nfs/dbraw/zinc/31/84/16/914318416.db2.gz QMGSPTVFNDUEGT-JKSUJKDBSA-N -1 3 383.492 3.625 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1CCOCC1 ZINC000824052539 899362551 /nfs/dbraw/zinc/36/25/51/899362551.db2.gz PDCNIOGKOCSEEI-GFCCVEGCSA-N -1 3 389.525 3.588 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1CCOCC1 ZINC000824052539 899362562 /nfs/dbraw/zinc/36/25/62/899362562.db2.gz PDCNIOGKOCSEEI-GFCCVEGCSA-N -1 3 389.525 3.588 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332140557 899430144 /nfs/dbraw/zinc/43/01/44/899430144.db2.gz JDFLZCUWBHVIBT-AMIZOPFISA-N -1 3 383.673 3.862 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000824154296 899431042 /nfs/dbraw/zinc/43/10/42/899431042.db2.gz MKXWZUAYPBTCPY-KRWDZBQOSA-N -1 3 385.508 3.653 20 0 GHADHM CC(C)[C@H]1CCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824223060 899465541 /nfs/dbraw/zinc/46/55/41/899465541.db2.gz GJCIZAXJPYHAAF-QGZVFWFLSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)[C@H]1CCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000824223060 899465552 /nfs/dbraw/zinc/46/55/52/899465552.db2.gz GJCIZAXJPYHAAF-QGZVFWFLSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)N(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000824284697 899485207 /nfs/dbraw/zinc/48/52/07/899485207.db2.gz NBYOJGRITHALRJ-UHFFFAOYSA-N -1 3 379.917 3.792 20 0 GHADHM CC(C)N(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000824284697 899485213 /nfs/dbraw/zinc/48/52/13/899485213.db2.gz NBYOJGRITHALRJ-UHFFFAOYSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478471 899622052 /nfs/dbraw/zinc/62/20/52/899622052.db2.gz HDRYLUYEHNYDIZ-HNNXBMFYSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478471 899622062 /nfs/dbraw/zinc/62/20/62/899622062.db2.gz HDRYLUYEHNYDIZ-HNNXBMFYSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@H](NC(=O)COc1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478556 899622710 /nfs/dbraw/zinc/62/27/10/899622710.db2.gz HYAFNRDCKKVJDN-INIZCTEOSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@H](NC(=O)COc1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478556 899622718 /nfs/dbraw/zinc/62/27/18/899622718.db2.gz HYAFNRDCKKVJDN-INIZCTEOSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]21)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490446 899632348 /nfs/dbraw/zinc/63/23/48/899632348.db2.gz POKXDLWGLQQPQX-GKCIPKSASA-N -1 3 388.475 3.789 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]21)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490446 899632351 /nfs/dbraw/zinc/63/23/51/899632351.db2.gz POKXDLWGLQQPQX-GKCIPKSASA-N -1 3 388.475 3.789 20 0 GHADHM C[C@H](NC(=O)C1CCSCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470327 899649608 /nfs/dbraw/zinc/64/96/08/899649608.db2.gz HLWJGOGGEWHHDR-AWEZNQCLSA-N -1 3 393.516 3.854 20 0 GHADHM C[C@H](NC(=O)C1CCSCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470327 899649615 /nfs/dbraw/zinc/64/96/15/899649615.db2.gz HLWJGOGGEWHHDR-AWEZNQCLSA-N -1 3 393.516 3.854 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1C[C@@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498509 899668279 /nfs/dbraw/zinc/66/82/79/899668279.db2.gz IMXRUJNAWGGDJS-CKFHNAJUSA-N -1 3 376.464 3.550 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1C[C@@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498509 899668290 /nfs/dbraw/zinc/66/82/90/899668290.db2.gz IMXRUJNAWGGDJS-CKFHNAJUSA-N -1 3 376.464 3.550 20 0 GHADHM Cc1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)s1 ZINC000332492436 899706115 /nfs/dbraw/zinc/70/61/15/899706115.db2.gz FXBHCTYUUSCWBK-UHFFFAOYSA-N -1 3 379.913 3.970 20 0 GHADHM Cc1cc(Cl)c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000332502682 899716340 /nfs/dbraw/zinc/71/63/40/899716340.db2.gz ACMCYZXCZASBDB-UHFFFAOYSA-N -1 3 386.879 3.697 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC000824757593 899809066 /nfs/dbraw/zinc/80/90/66/899809066.db2.gz YCWWRGDVXQFTTJ-VIFPVBQESA-N -1 3 384.852 3.760 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC000824757593 899809078 /nfs/dbraw/zinc/80/90/78/899809078.db2.gz YCWWRGDVXQFTTJ-VIFPVBQESA-N -1 3 384.852 3.760 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCC(C)CC1 ZINC000824917258 899874359 /nfs/dbraw/zinc/87/43/59/899874359.db2.gz NFGVZNCCOKYTTI-MOENNCHZSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCC(C)CC1 ZINC000824917258 899874364 /nfs/dbraw/zinc/87/43/64/899874364.db2.gz NFGVZNCCOKYTTI-MOENNCHZSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000571589249 899919510 /nfs/dbraw/zinc/91/95/10/899919510.db2.gz WAPKZOSLDIGODN-KSFYIVLOSA-N -1 3 383.444 3.595 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825083169 899969311 /nfs/dbraw/zinc/96/93/11/899969311.db2.gz YANCJBXHSMEUHS-LLVKDONJSA-N -1 3 382.497 3.721 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825083169 899969319 /nfs/dbraw/zinc/96/93/19/899969319.db2.gz YANCJBXHSMEUHS-LLVKDONJSA-N -1 3 382.497 3.721 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1 ZINC000571949405 900016692 /nfs/dbraw/zinc/01/66/92/900016692.db2.gz LCZKUJBYXUJTHU-WOJBJXKFSA-N -1 3 382.460 3.669 20 0 GHADHM O=C(CCCc1ccsc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826407027 900018688 /nfs/dbraw/zinc/01/86/88/900018688.db2.gz XXGWPHWTFNVMFV-UHFFFAOYSA-N -1 3 379.489 3.567 20 0 GHADHM O=C(CCCc1ccsc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826407027 900018694 /nfs/dbraw/zinc/01/86/94/900018694.db2.gz XXGWPHWTFNVMFV-UHFFFAOYSA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825195752 900040165 /nfs/dbraw/zinc/04/01/65/900040165.db2.gz YNAPOTQROQXVRE-VXGBXAGGSA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825195752 900040174 /nfs/dbraw/zinc/04/01/74/900040174.db2.gz YNAPOTQROQXVRE-VXGBXAGGSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304718 900079916 /nfs/dbraw/zinc/07/99/16/900079916.db2.gz HNPNLWXEEOVIFY-INIZCTEOSA-N -1 3 390.487 3.985 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825333243 900099675 /nfs/dbraw/zinc/09/96/75/900099675.db2.gz TVYXKHVUQADIQM-KGLIPLIRSA-N -1 3 382.493 3.801 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1(Cc2ccccc2)CCOCC1 ZINC000884539803 900161178 /nfs/dbraw/zinc/16/11/78/900161178.db2.gz KWURMEHPWUOCAX-UHFFFAOYSA-N -1 3 394.427 3.525 20 0 GHADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000884779627 900282268 /nfs/dbraw/zinc/28/22/68/900282268.db2.gz IQMJYUBILHMDOM-JOCHJYFZSA-N -1 3 384.476 3.502 20 0 GHADHM O=C([N-][C@@H]1CCCc2cccnc21)C(F)(F)c1ncccc1Br ZINC000885356596 900470752 /nfs/dbraw/zinc/47/07/52/900470752.db2.gz ZXGSPUZGMNVNJR-GFCCVEGCSA-N -1 3 382.208 3.525 20 0 GHADHM CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc3sccc3c([O-])c2)C2CC2)C1 ZINC001143865738 900625975 /nfs/dbraw/zinc/62/59/75/900625975.db2.gz ZMNLAMHXIWBMEL-UHFFFAOYSA-N -1 3 388.489 3.831 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)Cc2ccc(C3CCC3)cc2)[n-]1 ZINC000574133211 900791045 /nfs/dbraw/zinc/79/10/45/900791045.db2.gz YFQZFXPNIFUCOX-UHFFFAOYSA-N -1 3 386.395 3.584 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826473623 900835758 /nfs/dbraw/zinc/83/57/58/900835758.db2.gz GXDBPWKLNLJRAO-INIZCTEOSA-N -1 3 391.500 3.890 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826473623 900835766 /nfs/dbraw/zinc/83/57/66/900835766.db2.gz GXDBPWKLNLJRAO-INIZCTEOSA-N -1 3 391.500 3.890 20 0 GHADHM Cc1ncc2n1CC[C@@H](C(=O)N=c1cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]1)C2 ZINC000574443159 900895654 /nfs/dbraw/zinc/89/56/54/900895654.db2.gz RMOGSYZTSDVAFY-LLVKDONJSA-N -1 3 390.274 3.511 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1C(=O)OC(C)C ZINC000574599363 900940114 /nfs/dbraw/zinc/94/01/14/900940114.db2.gz HPYOUHJFKOLGIH-UHFFFAOYSA-N -1 3 399.472 3.547 20 0 GHADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1nnc2ccccc2c1[O-] ZINC000137827559 900973074 /nfs/dbraw/zinc/97/30/74/900973074.db2.gz RNFMIECHKRWHQE-UHFFFAOYSA-N -1 3 396.406 3.907 20 0 GHADHM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCCc1ccsc1 ZINC000575809077 901325679 /nfs/dbraw/zinc/32/56/79/901325679.db2.gz RJFLELVVSXYXHN-MRXNPFEDSA-N -1 3 380.307 3.955 20 0 GHADHM c1sc(C2CCCC2)nc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826513196 901379348 /nfs/dbraw/zinc/37/93/48/901379348.db2.gz DCKBLSCWAOQPQF-GOSISDBHSA-N -1 3 396.520 3.554 20 0 GHADHM c1sc(C2CCCC2)nc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826513196 901379362 /nfs/dbraw/zinc/37/93/62/901379362.db2.gz DCKBLSCWAOQPQF-GOSISDBHSA-N -1 3 396.520 3.554 20 0 GHADHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000845194566 901930914 /nfs/dbraw/zinc/93/09/14/901930914.db2.gz PPYCARQNHGOZGV-GXFFZTMASA-N -1 3 394.880 3.598 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1OC ZINC000576427030 902012573 /nfs/dbraw/zinc/01/25/73/902012573.db2.gz KOHMLSJLPWXGPQ-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM O=C([N-]CC1CCN(C(=O)NCc2cccc3ccsc32)CC1)C(F)(F)F ZINC000845300322 902056833 /nfs/dbraw/zinc/05/68/33/902056833.db2.gz GDVPEZSURUTGJF-UHFFFAOYSA-N -1 3 399.438 3.501 20 0 GHADHM Cc1csc(SCc2ccc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cc2)n1 ZINC000778964513 902285879 /nfs/dbraw/zinc/28/58/79/902285879.db2.gz JWNPPEKIFJHQAL-UHFFFAOYSA-N -1 3 388.474 3.506 20 0 GHADHM COc1ccc(NCc2c(OC)ccc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000158929139 902319284 /nfs/dbraw/zinc/31/92/84/902319284.db2.gz MFTCECYCXBNWQW-UHFFFAOYSA-N -1 3 386.473 3.841 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)n1 ZINC001144549899 902359627 /nfs/dbraw/zinc/35/96/27/902359627.db2.gz YYVKIIDZQOEAIW-UHFFFAOYSA-N -1 3 388.402 3.775 20 0 GHADHM Cc1cccc(CN2CC[C@@]3(CCN(Cc4c(F)cc([O-])cc4F)C3)C2=O)c1 ZINC001144550529 902362410 /nfs/dbraw/zinc/36/24/10/902362410.db2.gz PDICKUHGNONCPG-JOCHJYFZSA-N -1 3 386.442 3.603 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCCOCC1 ZINC000577011622 902429704 /nfs/dbraw/zinc/42/97/04/902429704.db2.gz OWZIEBMZHSAOCR-SNVBAGLBSA-N -1 3 398.688 3.670 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4cc(F)c([O-])cc4F)C3)CC2=O)s1 ZINC001144655107 902567314 /nfs/dbraw/zinc/56/73/14/902567314.db2.gz YSCZLEDHNCJDEA-LJQANCHMSA-N -1 3 378.444 3.669 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1OC ZINC000264105798 902845694 /nfs/dbraw/zinc/84/56/94/902845694.db2.gz IHPKYEJUUUHZQE-UHFFFAOYSA-N -1 3 394.468 3.512 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000846705332 903155338 /nfs/dbraw/zinc/15/53/38/903155338.db2.gz VWVCEPYMSJNNHO-NVXWUHKLSA-N -1 3 398.507 3.727 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(C)c1 ZINC000887708259 903560456 /nfs/dbraw/zinc/56/04/56/903560456.db2.gz PTLWTTBZPKGRQW-NSHDSACASA-N -1 3 378.523 3.992 20 0 GHADHM O=C(NC[C@@H]1CCc2ccccc21)c1c[n-]c2ccc(Br)cc2c1=O ZINC001146662794 903574682 /nfs/dbraw/zinc/57/46/82/903574682.db2.gz SZDGFJPXHBELCR-ZDUSSCGKSA-N -1 3 397.272 3.750 20 0 GHADHM CCN(Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)CC(C)(C)O ZINC000265118554 903643498 /nfs/dbraw/zinc/64/34/98/903643498.db2.gz JIBGUYYDYJREAS-UHFFFAOYSA-N -1 3 387.505 3.665 20 0 GHADHM CCOc1ccc(CCC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000578388030 903793308 /nfs/dbraw/zinc/79/33/08/903793308.db2.gz JIULLDBQFBORHE-UHFFFAOYSA-N -1 3 395.503 3.943 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC001147486824 903815624 /nfs/dbraw/zinc/81/56/24/903815624.db2.gz YIZPIBJNEGYNSE-INIZCTEOSA-N -1 3 383.341 3.853 20 0 GHADHM O=C([N-]c1nc(F)c(F)c(Cl)c1F)c1ccnc(Br)c1F ZINC001147929706 903907440 /nfs/dbraw/zinc/90/74/40/903907440.db2.gz QXMOWEUMADAPQJ-UHFFFAOYSA-N -1 3 384.514 3.701 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000578756466 904101494 /nfs/dbraw/zinc/10/14/94/904101494.db2.gz UMLMJNMGHBTWKJ-JKSUJKDBSA-N -1 3 387.398 3.884 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ncc(-c3ccccc3C)s2)c([O-])c1 ZINC001148632047 904147747 /nfs/dbraw/zinc/14/77/47/904147747.db2.gz XEVFQZGLNVZELJ-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000646701526 914788098 /nfs/dbraw/zinc/78/80/98/914788098.db2.gz IOCUTWAGEZPLDC-SGTLLEGYSA-N -1 3 381.350 3.760 20 0 GHADHM C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646746698 914814792 /nfs/dbraw/zinc/81/47/92/914814792.db2.gz BODDGSODMGJFPF-SECBINFHSA-N -1 3 375.293 3.887 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccnc(Cl)c1F ZINC000160018473 904534415 /nfs/dbraw/zinc/53/44/15/904534415.db2.gz AQOLMLBIFFYTOU-ZDUSSCGKSA-N -1 3 398.265 3.628 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1[O-] ZINC000579358201 904539618 /nfs/dbraw/zinc/53/96/18/904539618.db2.gz LJRKPBPKMFUPAW-ZFWWWQNUSA-N -1 3 395.459 3.742 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C=Cc2cccc(OCc3ccccc3)c2)[n-]1 ZINC001186849488 914821226 /nfs/dbraw/zinc/82/12/26/914821226.db2.gz YEGFPERSFJHBRF-VAWYXSNFSA-N -1 3 391.427 3.817 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C=Cc2cccc(OCc3ccccc3)c2)c[n-]1 ZINC001186849488 914821246 /nfs/dbraw/zinc/82/12/46/914821246.db2.gz YEGFPERSFJHBRF-VAWYXSNFSA-N -1 3 391.427 3.817 20 0 GHADHM CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000773191117 904551010 /nfs/dbraw/zinc/55/10/10/904551010.db2.gz WFINPZBSZKYDAV-HNNXBMFYSA-N -1 3 379.460 3.790 20 0 GHADHM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nnn(C)n1 ZINC000889628591 904675992 /nfs/dbraw/zinc/67/59/92/904675992.db2.gz PHIHRFIJTQSEGZ-UHFFFAOYSA-N -1 3 381.223 3.548 20 0 GHADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)C1=Cc2ccccc2OC1 ZINC000187835916 904842968 /nfs/dbraw/zinc/84/29/68/904842968.db2.gz HAPGUVFMTRLHTJ-GOSISDBHSA-N -1 3 384.482 3.585 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cc(Cl)ccc1Cl ZINC000188064543 904867537 /nfs/dbraw/zinc/86/75/37/904867537.db2.gz JXJLQWDPUQYNDS-SSDOTTSWSA-N -1 3 382.700 3.728 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290870936 914850890 /nfs/dbraw/zinc/85/08/90/914850890.db2.gz BAYCAJROYDIQTE-GFCCVEGCSA-N -1 3 399.438 3.582 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000173870580 905152169 /nfs/dbraw/zinc/15/21/69/905152169.db2.gz TUZGFYAIGAVFGO-IBGZPJMESA-N -1 3 385.508 3.622 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000175026752 905423200 /nfs/dbraw/zinc/42/32/00/905423200.db2.gz FUUXKGOJJHSQNA-UHFFFAOYSA-N -1 3 390.434 3.507 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1ccc(Cl)nc1 ZINC000190071634 905521182 /nfs/dbraw/zinc/52/11/82/905521182.db2.gz YDCOJTLVRUQJHT-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000627686200 905700551 /nfs/dbraw/zinc/70/05/51/905700551.db2.gz XJVCYSKSUVBWIK-HUUCEWRRSA-N -1 3 386.492 3.882 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@@H]([C@H]4CCCC4(C)C)C3)c(=O)c2c(OC)c1 ZINC000627921665 905838483 /nfs/dbraw/zinc/83/84/83/905838483.db2.gz IEBSBRBLUOJQGH-RHSMWYFYSA-N -1 3 398.503 3.834 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)CCCCCl)c1ccco1 ZINC000190723584 906256114 /nfs/dbraw/zinc/25/61/14/906256114.db2.gz FRSLPXBZIRTJMU-UHFFFAOYSA-N -1 3 391.276 3.946 20 0 GHADHM N#CC(=C([O-])c1ccc(-n2cnc3ccccc32)nc1)c1cnc2ccccc2n1 ZINC000190946058 906467840 /nfs/dbraw/zinc/46/78/40/906467840.db2.gz KYEPSIDCFRSYET-MRXNPFEDSA-N -1 3 390.406 3.854 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000179416041 906497245 /nfs/dbraw/zinc/49/72/45/906497245.db2.gz HBZMCRVBDYELKU-UHFFFAOYSA-N -1 3 397.456 3.807 20 0 GHADHM O=P([O-])([O-])CCCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173707571 906658021 /nfs/dbraw/zinc/65/80/21/906658021.db2.gz MEDZMVNJHNRJAD-FQEVSTJZSA-N -1 3 389.432 3.670 20 0 GHADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000629294696 906685929 /nfs/dbraw/zinc/68/59/29/906685929.db2.gz GSBIQVRGCBIGPI-KRWDZBQOSA-N -1 3 387.423 3.937 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2ccc(Br)cc2C(F)(F)F)no1 ZINC001212753741 906693693 /nfs/dbraw/zinc/69/36/93/906693693.db2.gz KGRLSNVZIACLSL-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM O=C(Nc1cccc([O-])c1F)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000365968142 921270523 /nfs/dbraw/zinc/27/05/23/921270523.db2.gz IZFPYUZZUNEPOJ-UHFFFAOYSA-N -1 3 377.437 3.647 20 0 GHADHM C[C@H]1CN(Cc2ccccc2NC(=O)Cc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000630765801 907397068 /nfs/dbraw/zinc/39/70/68/907397068.db2.gz JAHUIFAIVAVKII-GJZGRUSLSA-N -1 3 388.895 3.836 20 0 GHADHM CCc1c(NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1ccccc1Cl ZINC000192120520 907438491 /nfs/dbraw/zinc/43/84/91/907438491.db2.gz ZNZTYKJABFUTKE-UHFFFAOYSA-N -1 3 393.834 3.577 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)[N-]OCCCC(F)(F)F)CC1 ZINC001175284832 907461453 /nfs/dbraw/zinc/46/14/53/907461453.db2.gz TYXKMVJQSWPZAE-UHFFFAOYSA-N -1 3 382.423 3.804 20 0 GHADHM Nc1cc(I)cc2c1ccn2-c1c(F)ccc([O-])c1F ZINC001175267792 907477593 /nfs/dbraw/zinc/47/75/93/907477593.db2.gz HATWUVLBGVMYQB-UHFFFAOYSA-N -1 3 386.139 3.801 20 0 GHADHM Cc1cnn(-c2ccccc2Br)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428278 907548670 /nfs/dbraw/zinc/54/86/70/907548670.db2.gz WJQOOEUPKBBZFR-UHFFFAOYSA-N -1 3 396.252 3.867 20 0 GHADHM Brc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(N2CCCC2)c1 ZINC001175431286 907551092 /nfs/dbraw/zinc/55/10/92/907551092.db2.gz ASWCMDBIBMMUJV-UHFFFAOYSA-N -1 3 385.269 3.973 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(Cl)c3C2)c1 ZINC000366158963 921335826 /nfs/dbraw/zinc/33/58/26/921335826.db2.gz QNUJVAPDOBQJFI-UHFFFAOYSA-N -1 3 397.818 3.750 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000184581388 907614124 /nfs/dbraw/zinc/61/41/24/907614124.db2.gz KOPQALJUPQWOEU-QITLCBANSA-N -1 3 383.448 3.592 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184706379 907643270 /nfs/dbraw/zinc/64/32/70/907643270.db2.gz DVGNDPFLVCWYCV-UHFFFAOYSA-N -1 3 380.901 3.721 20 0 GHADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc2c(cc1Br)CCC2 ZINC000192461862 907667833 /nfs/dbraw/zinc/66/78/33/907667833.db2.gz XRKPDJHVVYJGFD-UHFFFAOYSA-N -1 3 382.649 3.530 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(OC[C@@H]4CCCO4)CC3)o2)cc1 ZINC000901544518 921342959 /nfs/dbraw/zinc/34/29/59/921342959.db2.gz QVPLNOVIYOVHIW-FQEVSTJZSA-N -1 3 385.460 3.805 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)nc2)n1 ZINC000631494041 907731492 /nfs/dbraw/zinc/73/14/92/907731492.db2.gz BYYOIVMUBXKRCT-QLIIJSOBSA-N -1 3 396.535 3.963 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000632128694 907949785 /nfs/dbraw/zinc/94/97/85/907949785.db2.gz IVFTTZBRBWKJDA-MRXNPFEDSA-N -1 3 382.851 3.737 20 0 GHADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000632139646 907953549 /nfs/dbraw/zinc/95/35/49/907953549.db2.gz UWHCPSKPEIWNBV-SECBINFHSA-N -1 3 383.267 3.676 20 0 GHADHM Cc1c(Cl)cccc1C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000192845904 907960791 /nfs/dbraw/zinc/96/07/91/907960791.db2.gz RNJXVOWEBSIIKX-UHFFFAOYSA-N -1 3 385.620 3.625 20 0 GHADHM COc1cc2c(cc1CN1CCC([C@@H](CC(=O)[O-])c3ccccc3)CC1)OCO2 ZINC000901599997 921387823 /nfs/dbraw/zinc/38/78/23/921387823.db2.gz QDCMFZVOGXLBPM-IBGZPJMESA-N -1 3 397.471 3.894 20 0 GHADHM COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673000 908202985 /nfs/dbraw/zinc/20/29/85/908202985.db2.gz CNHFLYONLUSYCK-UHFFFAOYSA-N -1 3 393.365 3.718 20 0 GHADHM CN1CCN(c2ccc(Nc3c(Cl)ccc(Br)c3[O-])cn2)CC1 ZINC001176660908 908225053 /nfs/dbraw/zinc/22/50/53/908225053.db2.gz VYMORHXYHYLHMJ-UHFFFAOYSA-N -1 3 397.704 3.699 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@H](C(F)(F)F)CC1 ZINC001176902440 908312954 /nfs/dbraw/zinc/31/29/54/908312954.db2.gz FVKYLCAVOKSCFX-KRWDZBQOSA-N -1 3 381.350 3.978 20 0 GHADHM COc1cccc(C2([N-]C(=O)C(F)(F)c3ccccc3F)CCOCC2)c1F ZINC000773661352 908555040 /nfs/dbraw/zinc/55/50/40/908555040.db2.gz MKVBFPFEENTVOM-UHFFFAOYSA-N -1 3 397.368 3.887 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)COc1nc(Cl)c(Cl)cc1Cl ZINC001177760012 908742278 /nfs/dbraw/zinc/74/22/78/908742278.db2.gz FSHLPPAIGJQLLD-UHFFFAOYSA-N -1 3 389.622 3.968 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1(Cc2ccccn2)CCOCC1 ZINC001178154943 908912121 /nfs/dbraw/zinc/91/21/21/908912121.db2.gz PCMRJQITRSJSBL-UHFFFAOYSA-N -1 3 391.265 3.528 20 0 GHADHM O=S(=O)([N-]CCNCc1c(Cl)cccc1Cl)c1ccc(Cl)s1 ZINC001178263429 908997674 /nfs/dbraw/zinc/99/76/74/908997674.db2.gz BPWNSPFAQWUYTF-UHFFFAOYSA-N -1 3 399.752 3.776 20 0 GHADHM CSCC[C@H](NC(=O)/C=C/c1ccco1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001178359965 909030589 /nfs/dbraw/zinc/03/05/89/909030589.db2.gz HRDVDVCLADOPED-APHBUQMISA-N -1 3 394.880 3.528 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1Oc1ccncc1 ZINC001179076190 909375622 /nfs/dbraw/zinc/37/56/22/909375622.db2.gz UDNSGOXQBOBNFX-UHFFFAOYSA-N -1 3 380.404 3.723 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1Oc1ccncc1 ZINC001179076190 909375642 /nfs/dbraw/zinc/37/56/42/909375642.db2.gz UDNSGOXQBOBNFX-UHFFFAOYSA-N -1 3 380.404 3.723 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CN(Cc2ccccc2)c2ccccc2)n1 ZINC000636109757 909431031 /nfs/dbraw/zinc/43/10/31/909431031.db2.gz HXRORLWXTHYNBX-UHFFFAOYSA-N -1 3 390.487 3.549 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000636114411 909435343 /nfs/dbraw/zinc/43/53/43/909435343.db2.gz IJYZBNWLZFVZSC-QWHCGFSZSA-N -1 3 380.275 3.952 20 0 GHADHM Cc1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cnn1-c1ccccc1Cl ZINC000636319703 909540177 /nfs/dbraw/zinc/54/01/77/909540177.db2.gz UAFLJULCWFRLSG-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM Cc1cc(Br)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)s1 ZINC000636321480 909543090 /nfs/dbraw/zinc/54/30/90/909543090.db2.gz FOQJSWLWVCYPLN-UHFFFAOYSA-N -1 3 382.283 3.512 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1cccc(-c2ccccc2)c1 ZINC000795275618 909650879 /nfs/dbraw/zinc/65/08/79/909650879.db2.gz GHDYEUHEKWAUPK-UHFFFAOYSA-N -1 3 394.496 3.991 20 0 GHADHM O=C(CCc1ccc(Cl)cc1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179949287 909824606 /nfs/dbraw/zinc/82/46/06/909824606.db2.gz YWZYWMFTRWIQIQ-UHFFFAOYSA-N -1 3 383.835 3.991 20 0 GHADHM O=C(CCc1ccc(Cl)cc1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179949287 909824619 /nfs/dbraw/zinc/82/46/19/909824619.db2.gz YWZYWMFTRWIQIQ-UHFFFAOYSA-N -1 3 383.835 3.991 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948996 909824861 /nfs/dbraw/zinc/82/48/61/909824861.db2.gz OVPAUNORPGOGDH-CYBMUJFWSA-N -1 3 399.834 3.826 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179948996 909824873 /nfs/dbraw/zinc/82/48/73/909824873.db2.gz OVPAUNORPGOGDH-CYBMUJFWSA-N -1 3 399.834 3.826 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)Nc1nnc(C2CC2)s1 ZINC000780703297 909828523 /nfs/dbraw/zinc/82/85/23/909828523.db2.gz CJETWMYMYUOALS-UHFFFAOYSA-N -1 3 387.234 3.570 20 0 GHADHM Cc1ccc(Cl)c(CC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c1F ZINC001179971803 909841273 /nfs/dbraw/zinc/84/12/73/909841273.db2.gz RDAURMCRSPBHLH-UHFFFAOYSA-N -1 3 386.814 3.512 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954074 909864087 /nfs/dbraw/zinc/86/40/87/909864087.db2.gz CQJPPLCFIHHYSN-GKCIPKSASA-N -1 3 375.428 3.755 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954074 909864096 /nfs/dbraw/zinc/86/40/96/909864096.db2.gz CQJPPLCFIHHYSN-GKCIPKSASA-N -1 3 375.428 3.755 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC001180512907 910193219 /nfs/dbraw/zinc/19/32/19/910193219.db2.gz ZHZFNICOETYVCB-UHFFFAOYSA-N -1 3 375.396 3.767 20 0 GHADHM CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269602098 910315257 /nfs/dbraw/zinc/31/52/57/910315257.db2.gz PXXMSNGZSXURCI-HXUWFJFHSA-N -1 3 385.851 3.966 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC001181063765 910510469 /nfs/dbraw/zinc/51/04/69/910510469.db2.gz SRBFRGRPSWUENX-ZDUSSCGKSA-N -1 3 382.888 3.813 20 0 GHADHM COc1ccc(OCc2nc(CN[C@](C)(CC(=O)[O-])C(C)C)cs2)cc1 ZINC000901814841 921587727 /nfs/dbraw/zinc/58/77/27/921587727.db2.gz AIYYBDTUMBRUSY-LJQANCHMSA-N -1 3 378.494 3.710 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])c3cnccc32)CC1 ZINC001181193953 910604194 /nfs/dbraw/zinc/60/41/94/910604194.db2.gz SRJHAZGMCUEIIG-UHFFFAOYSA-N -1 3 396.878 3.598 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ncc([O-])cc3Br)c2c1 ZINC001181239208 910622060 /nfs/dbraw/zinc/62/20/60/910622060.db2.gz ROGQUDNEBFWPBO-UHFFFAOYSA-N -1 3 387.233 3.893 20 0 GHADHM C[C@]1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCC[C@@H]1C(=O)[O-] ZINC000901821536 921594954 /nfs/dbraw/zinc/59/49/54/921594954.db2.gz OUUKYBPIALVCRN-DYVFJYSZSA-N -1 3 383.279 3.697 20 0 GHADHM COc1cc(Cl)ccc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291995 910953019 /nfs/dbraw/zinc/95/30/19/910953019.db2.gz HLKAJJDPHYHHFG-UHFFFAOYSA-N -1 3 397.184 3.504 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)sc1C ZINC000640292615 910954963 /nfs/dbraw/zinc/95/49/63/910954963.db2.gz MXEKDPKCRCDBCD-UHFFFAOYSA-N -1 3 395.838 3.651 20 0 GHADHM COc1ccc(C)cc1[C@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292884 910955220 /nfs/dbraw/zinc/95/52/20/910955220.db2.gz PQQYMFJUXSWOLJ-JTQLQIEISA-N -1 3 390.793 3.720 20 0 GHADHM Cc1ccccc1C[C@H](C)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301907 910960768 /nfs/dbraw/zinc/96/07/68/910960768.db2.gz MQXQDTGEDIHYEK-LBPRGKRZSA-N -1 3 388.821 3.924 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)[n-]1 ZINC000640308602 910963364 /nfs/dbraw/zinc/96/33/64/910963364.db2.gz PXJLJAFXWJFUCJ-CYBMUJFWSA-N -1 3 383.677 3.627 20 0 GHADHM CCCN(C(=O)N=c1[n-]n(C)cc1Br)[C@@H](C)c1ccccc1OC ZINC000640309784 910963971 /nfs/dbraw/zinc/96/39/71/910963971.db2.gz PCRBLRQIHLHBMW-LBPRGKRZSA-N -1 3 395.301 3.618 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc([C@H]2CN(C3CC3)CCO2)no1 ZINC000273999654 911169803 /nfs/dbraw/zinc/16/98/03/911169803.db2.gz YAURZFOCSXGZQF-HXUWFJFHSA-N -1 3 393.443 3.557 20 0 GHADHM CCc1cc2c(CN3CCC(Oc4ncccc4F)CC3)cc(=O)oc2cc1[O-] ZINC000773980826 911194482 /nfs/dbraw/zinc/19/44/82/911194482.db2.gz HMYLLZJVNSMLFY-UHFFFAOYSA-N -1 3 398.434 3.639 20 0 GHADHM COc1ccc(COCc2cccc(NC([O-])=NO[C@@H]3CCCCO3)c2)cc1 ZINC000274175905 911251002 /nfs/dbraw/zinc/25/10/02/911251002.db2.gz JLUKPMXGEMNPNA-HXUWFJFHSA-N -1 3 386.448 3.992 20 0 GHADHM COc1ccc(COCc2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c2)cc1 ZINC000274175905 911251014 /nfs/dbraw/zinc/25/10/14/911251014.db2.gz JLUKPMXGEMNPNA-HXUWFJFHSA-N -1 3 386.448 3.992 20 0 GHADHM COc1cc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)ccc1OC(C)C ZINC000901871191 921665497 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C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Br)cc3[O-])cc2NC1=O ZINC000642323095 911978490 /nfs/dbraw/zinc/97/84/90/911978490.db2.gz NEBMLQINCJLFQZ-QMMMGPOBSA-N -1 3 393.262 3.840 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1OCC(F)(F)F ZINC000642322299 911980068 /nfs/dbraw/zinc/98/00/68/911980068.db2.gz PQHLCHIQHYLFCB-UHFFFAOYSA-N -1 3 392.333 3.730 20 0 GHADHM C[C@@H](N[C@@H]1CCc2cccc(Br)c2C1)c1ncc(C(=O)[O-])s1 ZINC000901909351 921726239 /nfs/dbraw/zinc/72/62/39/921726239.db2.gz YNUQKCNNEZYVLW-MWLCHTKSSA-N -1 3 381.295 3.812 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001182972452 912194947 /nfs/dbraw/zinc/19/49/47/912194947.db2.gz VAQUENVKBVVKBL-UHFFFAOYSA-N -1 3 382.366 3.706 20 0 GHADHM C[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)[O-])s1 ZINC000901912116 921727841 /nfs/dbraw/zinc/72/78/41/921727841.db2.gz OEJCCRJFSNLBEP-GFCCVEGCSA-N -1 3 379.913 3.810 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CC1 ZINC000291126327 914994372 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3.528 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C2CCC(F)(F)CC2)c1 ZINC000291698374 915323234 /nfs/dbraw/zinc/32/32/34/915323234.db2.gz JVXLFFRMTDXSHM-UHFFFAOYSA-N -1 3 393.390 3.591 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)c1ccccc1 ZINC001187564142 915363745 /nfs/dbraw/zinc/36/37/45/915363745.db2.gz JJNCDONNVILNLO-UHFFFAOYSA-N -1 3 393.480 3.649 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1cncc(OC(F)F)c1 ZINC001187617250 915386873 /nfs/dbraw/zinc/38/68/73/915386873.db2.gz QIYSLYYMMYXKJM-UHFFFAOYSA-N -1 3 378.400 3.821 20 0 GHADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801033 915391787 /nfs/dbraw/zinc/39/17/87/915391787.db2.gz GNYLNOFMZOJDRC-UHFFFAOYSA-N -1 3 383.795 3.543 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc3ccccc32)cc1Cl ZINC001187641182 915408052 /nfs/dbraw/zinc/40/80/52/915408052.db2.gz CAVOLLDSXXUHQY-UHFFFAOYSA-N -1 3 388.876 3.577 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc3ccccc32)c(F)c1 ZINC001187641742 915409588 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CC[C@H]1CCCC[C@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000295694041 917426498 /nfs/dbraw/zinc/42/64/98/917426498.db2.gz JTCCQKLPAMDUET-WMZOPIPTSA-N -1 3 382.508 3.818 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)cc1 ZINC001190592484 917435802 /nfs/dbraw/zinc/43/58/02/917435802.db2.gz MFPAWSVRLNCDET-UHFFFAOYSA-N -1 3 381.881 3.649 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000363028159 917647054 /nfs/dbraw/zinc/64/70/54/917647054.db2.gz NAQAJJYGHQEWHU-UHFFFAOYSA-N -1 3 399.906 3.576 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc3nc(Cl)ccc3s2)o1 ZINC001190956796 917694868 /nfs/dbraw/zinc/69/48/68/917694868.db2.gz DCWDTISPZNXJOC-UHFFFAOYSA-N -1 3 385.898 3.677 20 0 GHADHM COC(=O)c1cc(F)c([N-]C(=O)c2csc(C(F)(F)F)n2)c(C)c1F ZINC001191016306 917708632 /nfs/dbraw/zinc/70/86/32/917708632.db2.gz LHACLWNQNYKIHP-UHFFFAOYSA-N -1 3 380.294 3.787 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)c2)cc1 ZINC001191249215 917879007 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COc1ccc([C@H](CC(=O)[O-])NCc2cn(-c3ccc(C)cc3)nc2C)cc1 ZINC000653502905 918271128 /nfs/dbraw/zinc/27/11/28/918271128.db2.gz RUYHRMWCHOUTAG-NRFANRHFSA-N -1 3 379.460 3.803 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1ccncc1-c1ccccc1 ZINC001191894011 918284449 /nfs/dbraw/zinc/28/44/49/918284449.db2.gz VSFOGXQPXXDOTR-UHFFFAOYSA-N -1 3 388.383 3.714 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1Br)C(Cl)(Cl)Cl ZINC001192001879 918333873 /nfs/dbraw/zinc/33/38/73/918333873.db2.gz YNQASZSILXWQSD-UHFFFAOYSA-N -1 3 388.885 3.567 20 0 GHADHM C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1noc(-c2ccccc2)n1 ZINC000296507742 918340635 /nfs/dbraw/zinc/34/06/35/918340635.db2.gz ZOVBQDKGNKUEIR-JSGCOSHPSA-N -1 3 385.436 3.543 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2F)CCC1)c1cnc(Cl)c(Cl)c1 ZINC001192076482 918374307 /nfs/dbraw/zinc/37/43/07/918374307.db2.gz XPTOZYHBCQKBGS-UHFFFAOYSA-N -1 3 389.279 3.928 20 0 GHADHM COC(=O)[C@H]1C[C@H]1c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001192189599 918484232 /nfs/dbraw/zinc/48/42/32/918484232.db2.gz PYWPYEIYTIOLIQ-KBPBESRZSA-N -1 3 390.233 3.684 20 0 GHADHM CCCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)CC(C)C ZINC001192175928 918525067 /nfs/dbraw/zinc/52/50/67/918525067.db2.gz AVANPWAFDBSZLG-AWEZNQCLSA-N -1 3 391.480 3.557 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cl)nc3Cl)c2)o1 ZINC001192228794 918552651 /nfs/dbraw/zinc/55/26/51/918552651.db2.gz DMEYTKLUYXIVEN-UHFFFAOYSA-N -1 3 385.232 3.548 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCCCc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000654099356 918788508 /nfs/dbraw/zinc/78/85/08/918788508.db2.gz YVVVTGKXQKNJGA-UHFFFAOYSA-N -1 3 382.291 3.787 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cc(F)cc(F)c1 ZINC000380476494 919303944 /nfs/dbraw/zinc/30/39/44/919303944.db2.gz KBSIBONWWSYFCQ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COc1cc(/C=C2\NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1[O-] ZINC000015253816 919368155 /nfs/dbraw/zinc/36/81/55/919368155.db2.gz IPNROVDLCYLAIB-ZSOIEALJSA-N -1 3 388.876 3.933 20 0 GHADHM CCCOc1ccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000015476866 919376007 /nfs/dbraw/zinc/37/60/07/919376007.db2.gz ZEMDHKDWBNTLNO-UHFFFAOYSA-N -1 3 397.258 3.866 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280245912 919575129 /nfs/dbraw/zinc/57/51/29/919575129.db2.gz IJFSZUJBNAPJNG-ZBFHGGJFSA-N -1 3 384.476 3.921 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)c(C)c1C ZINC000119836740 919660515 /nfs/dbraw/zinc/66/05/15/919660515.db2.gz NUPYUUYQXYROPY-UHFFFAOYSA-N -1 3 388.489 3.986 20 0 GHADHM CCn1cc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)c(C)n1 ZINC000900047622 919771909 /nfs/dbraw/zinc/77/19/09/919771909.db2.gz QLUISOGIGJNLGG-MRXNPFEDSA-N -1 3 380.286 3.670 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800263529 919807750 /nfs/dbraw/zinc/80/77/50/919807750.db2.gz KDZJEUFHWXMHHX-UHFFFAOYSA-N -1 3 385.786 3.602 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800263529 919807756 /nfs/dbraw/zinc/80/77/56/919807756.db2.gz KDZJEUFHWXMHHX-UHFFFAOYSA-N -1 3 385.786 3.602 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800263529 919807782 /nfs/dbraw/zinc/80/77/82/919807782.db2.gz KDZJEUFHWXMHHX-UHFFFAOYSA-N -1 3 385.786 3.602 20 0 GHADHM O=C([O-])C1(CCCCNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCC1 ZINC000900080823 919816397 /nfs/dbraw/zinc/81/63/97/919816397.db2.gz NNOPGLPNWRGZCP-UHFFFAOYSA-N -1 3 380.851 3.575 20 0 GHADHM COc1cccc(-c2noc([N-]Cc3nccn3CCc3ccccc3)n2)c1 ZINC000800857244 920533844 /nfs/dbraw/zinc/53/38/44/920533844.db2.gz KQVCCCMWKSCCIL-UHFFFAOYSA-N -1 3 375.432 3.797 20 0 GHADHM O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cc2sccc2c([O-])c1 ZINC000801327264 920929717 /nfs/dbraw/zinc/92/97/17/920929717.db2.gz ZJQIZSAECXVSLW-AWEZNQCLSA-N -1 3 381.453 3.926 20 0 GHADHM O=C([O-])c1cccc2c(CN3CCC(NC(=O)C4CCCCC4)CC3)ccnc12 ZINC000901428140 921097712 /nfs/dbraw/zinc/09/77/12/921097712.db2.gz HSGPZFNBHZKEIQ-UHFFFAOYSA-N -1 3 395.503 3.594 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000902143358 921914529 /nfs/dbraw/zinc/91/45/29/921914529.db2.gz NXDHQTSAVXSAPT-VQIMIIECSA-N -1 3 385.460 3.591 20 0 GHADHM CC(C)CC(=O)Nc1cccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000902164729 921944093 /nfs/dbraw/zinc/94/40/93/921944093.db2.gz LOANTABPOATRAZ-INIZCTEOSA-N -1 3 384.476 3.813 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3cccs3)C[C@@H]21 ZINC000902555076 922278563 /nfs/dbraw/zinc/27/85/63/922278563.db2.gz MWWPGTKGIGFRHX-ZIFCJYIRSA-N -1 3 379.485 3.753 20 0 GHADHM Cc1cc(Br)cc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c1OC(F)F ZINC000902555234 922278843 /nfs/dbraw/zinc/27/88/43/922278843.db2.gz SULFIHMJJZSJHD-XQQFMLRXSA-N -1 3 390.224 3.511 20 0 GHADHM COc1ccc(NCc2sccc2Br)cc1[N-]S(C)(=O)=O ZINC000802644222 922289943 /nfs/dbraw/zinc/28/99/43/922289943.db2.gz UVRZPFHZSCXSDI-UHFFFAOYSA-N -1 3 391.312 3.503 20 0 GHADHM CC[C@@H](C[C@H](C)CO)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902886263 922579539 /nfs/dbraw/zinc/57/95/39/922579539.db2.gz RPAIVKGKCUFXPE-WPRPVWTQSA-N -1 3 388.764 3.759 20 0 GHADHM O=C(OCc1nc2ccc(Br)cc2o1)c1cc(-c2ccco2)[n-]n1 ZINC000803092002 922686880 /nfs/dbraw/zinc/68/68/80/922686880.db2.gz MYQGXCVKJJAJDO-UHFFFAOYSA-N -1 3 388.177 3.930 20 0 GHADHM O=C(OCc1nc2ccc(Br)cc2o1)c1cc(-c2ccco2)n[n-]1 ZINC000803092002 922686892 /nfs/dbraw/zinc/68/68/92/922686892.db2.gz MYQGXCVKJJAJDO-UHFFFAOYSA-N -1 3 388.177 3.930 20 0 GHADHM C[C@]1(CS(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)CC1(Cl)Cl ZINC000903086447 922761388 /nfs/dbraw/zinc/76/13/88/922761388.db2.gz GRGHASDNRSHNMU-CQSZACIVSA-N -1 3 381.300 3.752 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1cc(Cl)ccc1Cl)C[C@H]2C(=O)[O-] ZINC000903416708 923001797 /nfs/dbraw/zinc/00/17/97/923001797.db2.gz RPEBWNKEHWUJOK-VLXCZOSLSA-N -1 3 386.275 3.640 20 0 GHADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903604150 923120586 /nfs/dbraw/zinc/12/05/86/923120586.db2.gz QFAOMJIDXXDXID-AETLKFDBSA-N -1 3 386.236 3.552 20 0 GHADHM O=C([O-])c1ccc2c(c1)CCN(CCOc1cccc(Br)c1)C2 ZINC000903618910 923131132 /nfs/dbraw/zinc/13/11/32/923131132.db2.gz OMKTVVLNPARXBY-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM COCc1ncc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000803902033 923359873 /nfs/dbraw/zinc/35/98/73/923359873.db2.gz KQLBOZZMVPXVLC-QMMMGPOBSA-N -1 3 379.463 3.535 20 0 GHADHM Cc1cccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1Br ZINC000903926660 923404528 /nfs/dbraw/zinc/40/45/28/923404528.db2.gz FPLIOTVPHSAZMV-LBPRGKRZSA-N -1 3 381.295 3.902 20 0 GHADHM Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)c1Br ZINC000903941579 923417412 /nfs/dbraw/zinc/41/74/12/923417412.db2.gz QIYJAXUVCOMFHU-IMJJTQAJSA-N -1 3 382.298 3.602 20 0 GHADHM CC[C@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)Oc1ccccc1Cl ZINC000748763858 923818845 /nfs/dbraw/zinc/81/88/45/923818845.db2.gz CQNYMVNSGNEIGQ-CYBMUJFWSA-N -1 3 377.872 3.855 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000677440415 924362522 /nfs/dbraw/zinc/36/25/22/924362522.db2.gz GSCSROCAYWMCBV-UHFFFAOYSA-N -1 3 375.472 3.732 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000410147220 925347060 /nfs/dbraw/zinc/34/70/60/925347060.db2.gz IVHJWKQRCHORER-HNNXBMFYSA-N -1 3 377.359 3.806 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000680354451 925452391 /nfs/dbraw/zinc/45/23/91/925452391.db2.gz MKCSONRITVEBPM-UHFFFAOYSA-N -1 3 382.363 3.760 20 0 GHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410420710 925633949 /nfs/dbraw/zinc/63/39/49/925633949.db2.gz SGVVPSCOQRUSHX-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM CC(C)c1nnc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2Br)[nH]1 ZINC000827526075 925757891 /nfs/dbraw/zinc/75/78/91/925757891.db2.gz LKBPENXIJYNDFE-VIFPVBQESA-N -1 3 387.228 3.660 20 0 GHADHM COc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC001137446208 925824636 /nfs/dbraw/zinc/82/46/36/925824636.db2.gz KQSJETSODOQPJV-OAHLLOKOSA-N -1 3 390.277 3.585 20 0 GHADHM Cc1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cnn1CC(C)C ZINC000827607729 925828898 /nfs/dbraw/zinc/82/88/98/925828898.db2.gz WFBDACJSYKPKDA-UHFFFAOYSA-N -1 3 380.448 3.785 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000681500706 925839422 /nfs/dbraw/zinc/83/94/22/925839422.db2.gz ZYWDFEPVOUOCCP-CQSZACIVSA-N -1 3 378.272 3.912 20 0 GHADHM COc1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)cc(OC)c1[O-] ZINC000373258609 925970951 /nfs/dbraw/zinc/97/09/51/925970951.db2.gz GGSYTVVZMPEAEL-UHFFFAOYSA-N -1 3 388.420 3.602 20 0 GHADHM COc1nnc([N-]C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)s1 ZINC000682690319 926209619 /nfs/dbraw/zinc/20/96/19/926209619.db2.gz AZBCEJWXEKAKDQ-UHFFFAOYSA-N -1 3 376.463 3.710 20 0 GHADHM CCOC(=O)[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](C)CC ZINC000411479369 926444094 /nfs/dbraw/zinc/44/40/94/926444094.db2.gz LXGPYQAIXZKRRS-ZBEGNZNMSA-N -1 3 389.477 3.724 20 0 GHADHM COc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1[O-] ZINC000726511665 926717371 /nfs/dbraw/zinc/71/73/71/926717371.db2.gz YCELDPJJBCNTIG-UHFFFAOYSA-N -1 3 384.432 3.951 20 0 GHADHM O=c1nc(CN2CC[C@@H]([C@@H]3CCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000374408260 927103786 /nfs/dbraw/zinc/10/37/86/927103786.db2.gz YXIBQFNTKROLIY-HUUCEWRRSA-N -1 3 399.491 3.649 20 0 GHADHM CC(C)[C@@H](CCN(C)C(=O)NCc1ccc([O-])c(F)c1)NC(=O)OC(C)(C)C ZINC000749572268 927194175 /nfs/dbraw/zinc/19/41/75/927194175.db2.gz CFGWUQIOYVUJJF-MRXNPFEDSA-N -1 3 397.491 3.612 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[O-] ZINC000412209946 927211551 /nfs/dbraw/zinc/21/15/51/927211551.db2.gz RLFRZUVNRCNCSU-UHFFFAOYSA-N -1 3 392.377 3.576 20 0 GHADHM COc1cnc2ccccc2c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000374520904 927237820 /nfs/dbraw/zinc/23/78/20/927237820.db2.gz OJXTVPVYSFGPQH-UHFFFAOYSA-N -1 3 386.411 3.554 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1[O-] ZINC000412241773 927250304 /nfs/dbraw/zinc/25/03/04/927250304.db2.gz LFZWVCKODZSOOH-QGZVFWFLSA-N -1 3 396.491 3.780 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1[O-] ZINC000412253386 927263581 /nfs/dbraw/zinc/26/35/81/927263581.db2.gz IKQSKEWHONMWAW-GOSISDBHSA-N -1 3 377.799 3.601 20 0 GHADHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000750215171 927494141 /nfs/dbraw/zinc/49/41/41/927494141.db2.gz NXPVKTIQPIGLHS-SECBINFHSA-N -1 3 394.301 3.638 20 0 GHADHM O=C([N-]OCc1ccccc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000751303798 928119397 /nfs/dbraw/zinc/11/93/97/928119397.db2.gz WWYJXUITIZAVLT-IBGZPJMESA-N -1 3 378.394 3.689 20 0 GHADHM COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732210 928354073 /nfs/dbraw/zinc/35/40/73/928354073.db2.gz NOFBSUQJNXAGFZ-LLVKDONJSA-N -1 3 395.814 3.570 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000466899562 928488175 /nfs/dbraw/zinc/48/81/75/928488175.db2.gz KYEYPJNWAKWGLT-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000752041683 928567067 /nfs/dbraw/zinc/56/70/67/928567067.db2.gz LPJAUBCUXJLUGC-UHFFFAOYSA-N -1 3 394.718 3.580 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000752428645 928821751 /nfs/dbraw/zinc/82/17/51/928821751.db2.gz RMVNXKNMYDMLFB-GFCCVEGCSA-N -1 3 375.350 3.769 20 0 GHADHM Cc1ncc(CNC(=O)NCc2ccccc2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000544243179 928970660 /nfs/dbraw/zinc/97/06/60/928970660.db2.gz GFFNCRGVXYLQNA-UHFFFAOYSA-N -1 3 382.851 3.810 20 0 GHADHM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000544261246 928991512 /nfs/dbraw/zinc/99/15/12/928991512.db2.gz MUXDMQCDDOQPEW-UHFFFAOYSA-N -1 3 399.454 3.582 20 0 GHADHM Cc1ncc(CNC(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000544284573 929019267 /nfs/dbraw/zinc/01/92/67/929019267.db2.gz JMQCMMGVQVBSAZ-UHFFFAOYSA-N -1 3 398.463 3.780 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000752975489 929131495 /nfs/dbraw/zinc/13/14/95/929131495.db2.gz JUPBHCHQOBYGCM-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000752975489 929131500 /nfs/dbraw/zinc/13/15/00/929131500.db2.gz JUPBHCHQOBYGCM-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4cccc4)nc3)c2)n1 ZINC000753195634 929246603 /nfs/dbraw/zinc/24/66/03/929246603.db2.gz FDIBHAJEEYKVPU-UHFFFAOYSA-N -1 3 385.427 3.850 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000544553158 929280920 /nfs/dbraw/zinc/28/09/20/929280920.db2.gz ILHDLVFGGJDOMB-OLZOCXBDSA-N -1 3 395.484 3.912 20 0 GHADHM O=C(CSc1nc2ccccc2o1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467718343 929335659 /nfs/dbraw/zinc/33/56/59/929335659.db2.gz OFVXFXJOARHXBF-UHFFFAOYSA-N -1 3 386.383 3.649 20 0 GHADHM Cc1ccc(C2(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)CCOCC2)cc1 ZINC000467806693 929446924 /nfs/dbraw/zinc/44/69/24/929446924.db2.gz KAFCUJIKYSFJBR-UHFFFAOYSA-N -1 3 397.425 3.772 20 0 GHADHM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000544727243 929505546 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GHADHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777956156 934383178 /nfs/dbraw/zinc/38/31/78/934383178.db2.gz CGTYZLGHXQDBRS-SNVBAGLBSA-N -1 3 375.277 3.827 20 0 GHADHM CC(C)(C)OC(=O)N1CC=CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000931154269 934402750 /nfs/dbraw/zinc/40/27/50/934402750.db2.gz PDPUSJZSGPJLKW-UHFFFAOYSA-N -1 3 382.420 3.606 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)C2)cc1 ZINC000931622097 934647392 /nfs/dbraw/zinc/64/73/92/934647392.db2.gz ONPCMMNJGRXJHU-UHFFFAOYSA-N -1 3 387.505 3.978 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(COc2ccccc2)CC1 ZINC000932031459 934805427 /nfs/dbraw/zinc/80/54/27/934805427.db2.gz PBEODCSWNCNUTL-UHFFFAOYSA-N -1 3 398.409 3.738 20 0 GHADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000778061117 934826467 /nfs/dbraw/zinc/82/64/67/934826467.db2.gz SBFKIRAEQBDZCH-RISCZKNCSA-N -1 3 381.325 3.651 20 0 GHADHM Cc1ccc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1-c1ccsc1 ZINC000932249132 934859547 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GHADHM COc1nnc(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)[n-]1 ZINC001137567385 935590314 /nfs/dbraw/zinc/59/03/14/935590314.db2.gz APDFUODILXCCRG-CQSZACIVSA-N -1 3 393.230 3.879 20 0 GHADHM COc1nc(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n[n-]1 ZINC001137567385 935590318 /nfs/dbraw/zinc/59/03/18/935590318.db2.gz APDFUODILXCCRG-CQSZACIVSA-N -1 3 393.230 3.879 20 0 GHADHM COc1n[n-]c(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 ZINC001137567385 935590321 /nfs/dbraw/zinc/59/03/21/935590321.db2.gz APDFUODILXCCRG-CQSZACIVSA-N -1 3 393.230 3.879 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn4c3C[C@@H](C)CC4)nc(=O)c2c1C ZINC000829573884 935829536 /nfs/dbraw/zinc/82/95/36/935829536.db2.gz GUXUXLOVOKGMNN-ONGXEEELSA-N -1 3 386.477 3.711 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829640819 935837992 /nfs/dbraw/zinc/83/79/92/935837992.db2.gz VTXQBRMMKXSWJE-KRWDZBQOSA-N -1 3 394.487 3.616 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001137916666 935868450 /nfs/dbraw/zinc/86/84/50/935868450.db2.gz SWPMPLGOSPHBCT-UHFFFAOYSA-N -1 3 383.448 3.641 20 0 GHADHM Cc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1O ZINC001137935310 935878576 /nfs/dbraw/zinc/87/85/76/935878576.db2.gz NBWAZNJLIZWOHO-UHFFFAOYSA-N -1 3 378.306 3.693 20 0 GHADHM Brc1ccccc1C[C@H]1CCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573279224 946634863 /nfs/dbraw/zinc/63/48/63/946634863.db2.gz FTKUFOOEKKDQIA-CQSZACIVSA-N -1 3 399.296 3.626 20 0 GHADHM Brc1ccccc1C[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573279224 946634868 /nfs/dbraw/zinc/63/48/68/946634868.db2.gz FTKUFOOEKKDQIA-CQSZACIVSA-N -1 3 399.296 3.626 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1N[C@H](C1CCC1)C1CCCC1 ZINC001573279233 946635232 /nfs/dbraw/zinc/63/52/32/946635232.db2.gz FGTNPYLFHMJDOU-AWEZNQCLSA-N -1 3 377.290 3.795 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1N[C@H](C1CCC1)C1CCCC1 ZINC001573279233 946635235 /nfs/dbraw/zinc/63/52/35/946635235.db2.gz FGTNPYLFHMJDOU-AWEZNQCLSA-N -1 3 377.290 3.795 20 0 GHADHM Brc1c2ccccc2oc1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001573279452 946641970 /nfs/dbraw/zinc/64/19/70/946641970.db2.gz ISEXXVMRIJAIAI-UHFFFAOYSA-N -1 3 396.248 3.891 20 0 GHADHM Brc1c2ccccc2oc1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001573279452 946641973 /nfs/dbraw/zinc/64/19/73/946641973.db2.gz ISEXXVMRIJAIAI-UHFFFAOYSA-N -1 3 396.248 3.891 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1NCCc1cccc2ccccc21 ZINC001573281011 946670572 /nfs/dbraw/zinc/67/05/72/946670572.db2.gz XIDNRAPQEQDEFT-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1NCCc1cccc2ccccc21 ZINC001573281011 946670578 /nfs/dbraw/zinc/67/05/78/946670578.db2.gz XIDNRAPQEQDEFT-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM Brc1c(OCc2ccc(-c3nnn[n-]3)cc2)ccc2cccnc21 ZINC001573281067 946672481 /nfs/dbraw/zinc/67/24/81/946672481.db2.gz YHCZLJBTEUHVHJ-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1c(OCc2ccc(-c3nn[n-]n3)cc2)ccc2cccnc21 ZINC001573281067 946672490 /nfs/dbraw/zinc/67/24/90/946672490.db2.gz YHCZLJBTEUHVHJ-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM CC(=CC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001573362349 947702616 /nfs/dbraw/zinc/70/26/16/947702616.db2.gz JQTJEYJGFVBMAP-BENRWUELSA-N -1 3 396.882 3.937 20 0 GHADHM CC(=CC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001573362349 947702621 /nfs/dbraw/zinc/70/26/21/947702621.db2.gz JQTJEYJGFVBMAP-BENRWUELSA-N -1 3 396.882 3.937 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC001573783157 949142629 /nfs/dbraw/zinc/14/26/29/949142629.db2.gz UPXMHHDFVITGPQ-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC001573783157 949142641 /nfs/dbraw/zinc/14/26/41/949142641.db2.gz UPXMHHDFVITGPQ-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001575517372 949229472 /nfs/dbraw/zinc/22/94/72/949229472.db2.gz VHQOODBPJRKTBP-SECBINFHSA-N -1 3 392.282 3.524 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001575856037 949245040 /nfs/dbraw/zinc/24/50/40/949245040.db2.gz CPHRHTGKTRXDQK-NRFANRHFSA-N -1 3 394.454 3.982 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001575856037 949245064 /nfs/dbraw/zinc/24/50/64/949245064.db2.gz CPHRHTGKTRXDQK-NRFANRHFSA-N -1 3 394.454 3.982 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC001589605240 949246503 /nfs/dbraw/zinc/24/65/03/949246503.db2.gz PINWQNQZZWZSTE-ACJLOTCBSA-N -1 3 397.313 3.661 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)N(Cc2ccccc2)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575861904 949335506 /nfs/dbraw/zinc/33/55/06/949335506.db2.gz WSUXWBDBSWIPFD-SFHVURJKSA-N -1 3 388.475 3.931 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)N(Cc2ccccc2)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575861904 949335531 /nfs/dbraw/zinc/33/55/31/949335531.db2.gz WSUXWBDBSWIPFD-SFHVURJKSA-N -1 3 388.475 3.931 20 0 GHADHM CC(C)(C)CC(C)(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001573842541 950147988 /nfs/dbraw/zinc/14/79/88/950147988.db2.gz GSKZQJRJMAQKOY-UHFFFAOYSA-N -1 3 385.447 3.592 20 0 GHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001574167769 950493937 /nfs/dbraw/zinc/49/39/37/950493937.db2.gz IUHXSGQUYWQHFU-LBPRGKRZSA-N -1 3 378.427 3.968 20 0 GHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001574167769 950493947 /nfs/dbraw/zinc/49/39/47/950493947.db2.gz IUHXSGQUYWQHFU-LBPRGKRZSA-N -1 3 378.427 3.968 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccc(F)cc1F ZINC001574519130 950670272 /nfs/dbraw/zinc/67/02/72/950670272.db2.gz BKMLXTYCZWIQFD-QMMMGPOBSA-N -1 3 379.317 3.555 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccc(F)cc1F ZINC001574519130 950670287 /nfs/dbraw/zinc/67/02/87/950670287.db2.gz BKMLXTYCZWIQFD-QMMMGPOBSA-N -1 3 379.317 3.555 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)n1 ZINC001573876704 950680582 /nfs/dbraw/zinc/68/05/82/950680582.db2.gz SHWGBUXRIBWFFP-UHFFFAOYSA-N -1 3 378.436 3.569 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)n1 ZINC001573876704 950680593 /nfs/dbraw/zinc/68/05/93/950680593.db2.gz SHWGBUXRIBWFFP-UHFFFAOYSA-N -1 3 378.436 3.569 20 0 GHADHM C[C@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2(C)CCCC2)C1 ZINC001576215501 950704869 /nfs/dbraw/zinc/70/48/69/950704869.db2.gz WACCAKOQLNAAFH-HNNXBMFYSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2(C)CCCC2)C1 ZINC001576215501 950704880 /nfs/dbraw/zinc/70/48/80/950704880.db2.gz WACCAKOQLNAAFH-HNNXBMFYSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576216939 950745226 /nfs/dbraw/zinc/74/52/26/950745226.db2.gz KFNRQAFKJSOEMQ-UZGDPCLZSA-N -1 3 394.504 3.751 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576216939 950745239 /nfs/dbraw/zinc/74/52/39/950745239.db2.gz KFNRQAFKJSOEMQ-UZGDPCLZSA-N -1 3 394.504 3.751 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576216937 950745729 /nfs/dbraw/zinc/74/57/29/950745729.db2.gz KFNRQAFKJSOEMQ-MHDGFBEUSA-N -1 3 394.504 3.751 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576216937 950745753 /nfs/dbraw/zinc/74/57/53/950745753.db2.gz KFNRQAFKJSOEMQ-MHDGFBEUSA-N -1 3 394.504 3.751 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001573881718 950756155 /nfs/dbraw/zinc/75/61/55/950756155.db2.gz GAKUWQSHNHYSQX-UHFFFAOYSA-N -1 3 379.439 3.896 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001573881718 950756172 /nfs/dbraw/zinc/75/61/72/950756172.db2.gz GAKUWQSHNHYSQX-UHFFFAOYSA-N -1 3 379.439 3.896 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2cc3nccnc3cc2F)c1-c1nnn[n-]1 ZINC001573884772 950806593 /nfs/dbraw/zinc/80/65/93/950806593.db2.gz PPZUCEGUMOXWAY-UHFFFAOYSA-N -1 3 397.439 3.560 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2cc3nccnc3cc2F)c1-c1nn[n-]n1 ZINC001573884772 950806619 /nfs/dbraw/zinc/80/66/19/950806619.db2.gz PPZUCEGUMOXWAY-UHFFFAOYSA-N -1 3 397.439 3.560 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000380397246 971695320 /nfs/dbraw/zinc/69/53/20/971695320.db2.gz CIQVSKYGIIDDLM-CYBMUJFWSA-N -1 3 387.261 3.614 20 0 GHADHM CCOc1ccc([C@@H]2C[C@H]2NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001592816026 951369859 /nfs/dbraw/zinc/36/98/59/951369859.db2.gz QTTGSKKZAYUKTM-LSTHTHJFSA-N -1 3 384.476 3.625 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC001575188505 952449071 /nfs/dbraw/zinc/44/90/71/952449071.db2.gz IKPLFPGMRAXGCK-CQSZACIVSA-N -1 3 390.422 3.614 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC001575188505 952449076 /nfs/dbraw/zinc/44/90/76/952449076.db2.gz IKPLFPGMRAXGCK-CQSZACIVSA-N -1 3 390.422 3.614 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001575190071 952460349 /nfs/dbraw/zinc/46/03/49/952460349.db2.gz RAAMOJMLVFOGOT-HNNXBMFYSA-N -1 3 389.503 3.932 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001575190071 952460354 /nfs/dbraw/zinc/46/03/54/952460354.db2.gz RAAMOJMLVFOGOT-HNNXBMFYSA-N -1 3 389.503 3.932 20 0 GHADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001575206710 952530766 /nfs/dbraw/zinc/53/07/66/952530766.db2.gz LIXFCDBAAODJAY-CQSZACIVSA-N -1 3 386.459 3.974 20 0 GHADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001575206710 952530771 /nfs/dbraw/zinc/53/07/71/952530771.db2.gz LIXFCDBAAODJAY-CQSZACIVSA-N -1 3 386.459 3.974 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001593695283 954067420 /nfs/dbraw/zinc/06/74/20/954067420.db2.gz IWTNGYOZGYKEOC-AWEZNQCLSA-N -1 3 397.809 3.741 20 0 GHADHM C[C@@](O)(CN1CCC(c2ccccc2C(=O)[O-])CC1)C(F)(F)C(F)(F)F ZINC001589137793 956240191 /nfs/dbraw/zinc/24/01/91/956240191.db2.gz BVQPABMESIYXLV-OAHLLOKOSA-N -1 3 381.341 3.513 20 0 GHADHM Cc1ccc(N2CCC[C@@H](NCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594368368 958510994 /nfs/dbraw/zinc/51/09/94/958510994.db2.gz QPHHFLGVSSJCNM-RBUKOAKNSA-N -1 3 397.519 3.648 20 0 GHADHM CN(C)Cc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C(F)(F)F ZINC001604074854 972465716 /nfs/dbraw/zinc/46/57/16/972465716.db2.gz KJEQITOEHIFZCI-VURMDHGXSA-N -1 3 382.338 3.710 20 0 GHADHM CC1CCN([C@H](CNC(=O)C2(C(=O)[O-])CCCCC2)c2cccs2)CC1 ZINC001573735493 960429883 /nfs/dbraw/zinc/42/98/83/960429883.db2.gz DWISBZXKMGKCGK-MRXNPFEDSA-N -1 3 378.538 3.672 20 0 GHADHM Cc1ccc(F)cc1CN1CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1 ZINC001574368755 961060835 /nfs/dbraw/zinc/06/08/35/961060835.db2.gz FHIQPFUBSNSAGY-INIZCTEOSA-N -1 3 394.487 3.668 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001573985983 961788967 /nfs/dbraw/zinc/78/89/67/961788967.db2.gz HLUYAEHXZKNLHB-INIZCTEOSA-N -1 3 379.819 3.602 20 0 GHADHM C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ncc(C(=O)[O-])s1 ZINC000314674834 963788055 /nfs/dbraw/zinc/78/80/55/963788055.db2.gz QIQFQHRKZDVKFT-AAEUAGOBSA-N -1 3 383.514 3.528 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Oc4cnccn4)cc3)c[n-]c12 ZINC001625804986 1014189916 /nfs/dbraw/zinc/18/99/16/1014189916.db2.gz GWTULLSISQXBEC-UHFFFAOYSA-N -1 3 390.374 3.810 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000583758152 974945329 /nfs/dbraw/zinc/94/53/29/974945329.db2.gz WKBHXZKVAHOVRJ-MRXNPFEDSA-N -1 3 383.444 3.565 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591776614 975922935 /nfs/dbraw/zinc/92/29/35/975922935.db2.gz DBNAWIMVJKUVMS-HNNXBMFYSA-N -1 3 391.493 3.658 20 0 GHADHM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830500707 979018931 /nfs/dbraw/zinc/01/89/31/979018931.db2.gz VSDHYAZSLATEGQ-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@](CNCc1nc2cc(Br)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC001592713036 979210166 /nfs/dbraw/zinc/21/01/66/979210166.db2.gz XRMABJCWPHKAHR-GOSISDBHSA-N -1 3 389.249 3.722 20 0 GHADHM CC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@@H]1CCCCO1 ZINC001595287024 980365860 /nfs/dbraw/zinc/36/58/60/980365860.db2.gz KYFYVLYKCIXNOQ-KGLIPLIRSA-N -1 3 389.279 3.567 20 0 GHADHM CO[C@@]1(C(=O)[O-])CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000901542699 980370720 /nfs/dbraw/zinc/37/07/20/980370720.db2.gz RQOVUMMSNGHPSD-IBGZPJMESA-N -1 3 379.815 3.947 20 0 GHADHM O=C([O-])[C@@H]1CCCCCN1Cc1cc(OC(F)F)ccc1Br ZINC000902036818 980708678 /nfs/dbraw/zinc/70/86/78/980708678.db2.gz VXXKEXREGREZRV-ZDUSSCGKSA-N -1 3 378.213 3.880 20 0 GHADHM CCC1(CO)CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001595384547 980932412 /nfs/dbraw/zinc/93/24/12/980932412.db2.gz VTAYPAYYUITPTM-UHFFFAOYSA-N -1 3 383.488 3.948 20 0 GHADHM CCCC(=O)Nc1cccc(CNCc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC001595531068 981365784 /nfs/dbraw/zinc/36/57/84/981365784.db2.gz BVNPJKVWPIWRAG-UHFFFAOYSA-N -1 3 377.444 3.961 20 0 GHADHM CCCCNC(=O)OC[C@@H]1CCCCN1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001595758485 982461649 /nfs/dbraw/zinc/46/16/49/982461649.db2.gz OHKJYTIESVSNGV-KRWDZBQOSA-N -1 3 399.491 3.814 20 0 GHADHM CCCCNC(=O)OC[C@H]1CCCCN1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001595758488 982461948 /nfs/dbraw/zinc/46/19/48/982461948.db2.gz OHKJYTIESVSNGV-QGZVFWFLSA-N -1 3 399.491 3.814 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccco1 ZINC001594993752 982865654 /nfs/dbraw/zinc/86/56/54/982865654.db2.gz BAZPPFUEODDYDB-MFKMUULPSA-N -1 3 381.379 3.507 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccco1 ZINC001594994437 982875215 /nfs/dbraw/zinc/87/52/15/982875215.db2.gz MJBMWZPNBIOZES-LZWOXQAQSA-N -1 3 390.505 3.704 20 0 GHADHM CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001626105793 1014889815 /nfs/dbraw/zinc/88/98/15/1014889815.db2.gz GOTIFAFWTIVYRD-HXUWFJFHSA-N -1 3 381.472 3.735 20 0 GHADHM CCCN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595889142 982921189 /nfs/dbraw/zinc/92/11/89/982921189.db2.gz ZPDFEHCBCAVSSF-CDNLZTBQSA-N -1 3 378.469 3.599 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC001596254560 983664082 /nfs/dbraw/zinc/66/40/82/983664082.db2.gz TXWRHWUFJKYGDL-OAHLLOKOSA-N -1 3 391.493 3.660 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)o1 ZINC001596277042 983697400 /nfs/dbraw/zinc/69/74/00/983697400.db2.gz UECPSSLPLQJNKC-UHFFFAOYSA-N -1 3 384.432 3.839 20 0 GHADHM CCN1C[C@H](CN(C)Cc2c3ccccc3[nH]c2C(=O)[O-])Oc2ccccc21 ZINC001596396245 983940178 /nfs/dbraw/zinc/94/01/78/983940178.db2.gz OVKSVISPFRKICF-HNNXBMFYSA-N -1 3 379.460 3.585 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)N(C)C)cc1 ZINC001597513266 988108133 /nfs/dbraw/zinc/10/81/33/988108133.db2.gz OXKWSHDNPSJZOR-GOSISDBHSA-N -1 3 387.455 3.819 20 0 GHADHM CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)C1 ZINC001589806093 988226899 /nfs/dbraw/zinc/22/68/99/988226899.db2.gz LLVQVLNCLKUFPI-GCJKJVERSA-N -1 3 386.467 3.684 20 0 GHADHM CSc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2C)N(C)C)cc1 ZINC001599812340 988358600 /nfs/dbraw/zinc/35/86/00/988358600.db2.gz UOECQNOJIWZQLD-SFHVURJKSA-N -1 3 387.505 3.840 20 0 GHADHM CC(C)(C)Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000545028941 1015382453 /nfs/dbraw/zinc/38/24/53/1015382453.db2.gz GFAQQADZXJQODW-UHFFFAOYSA-N -1 3 378.429 3.593 20 0 GHADHM CCc1nc(C2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)n[nH]1 ZINC001597662563 988736266 /nfs/dbraw/zinc/73/62/66/988736266.db2.gz CBYQEDYVLYJKPJ-HNNXBMFYSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1n[nH]c(C2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC001597662563 988736273 /nfs/dbraw/zinc/73/62/73/988736273.db2.gz CBYQEDYVLYJKPJ-HNNXBMFYSA-N -1 3 383.279 3.679 20 0 GHADHM CC(C)(C)OC(=O)N1CCC12CCN([C@@H](C(=O)[O-])c1ccccc1Cl)CC2 ZINC001589991126 988895071 /nfs/dbraw/zinc/89/50/71/988895071.db2.gz GIDNBBNGNDIAFK-MRXNPFEDSA-N -1 3 394.899 3.941 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001589994834 988914766 /nfs/dbraw/zinc/91/47/66/988914766.db2.gz QOJKXNYAKLKDIK-INIZCTEOSA-N -1 3 394.899 3.917 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C(=O)[O-])ccc1Cl ZINC001590257015 989647890 /nfs/dbraw/zinc/64/78/90/989647890.db2.gz FSSJHIWOHMSJLU-HZPDHXFCSA-N -1 3 382.888 3.964 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC000468270283 1015531045 /nfs/dbraw/zinc/53/10/45/1015531045.db2.gz MCEOTXPYYBPEDZ-OAHLLOKOSA-N -1 3 386.254 3.764 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590981274 991139692 /nfs/dbraw/zinc/13/96/92/991139692.db2.gz SLKBDCUPHZUHNQ-IBGZPJMESA-N -1 3 387.455 3.802 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001590981517 991142307 /nfs/dbraw/zinc/14/23/07/991142307.db2.gz VXAJYYUHFJYFNW-DPLHUUCSSA-N -1 3 394.515 3.518 20 0 GHADHM CN(C[C@H](O)c1cccc(Br)c1)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001598436872 991834160 /nfs/dbraw/zinc/83/41/60/991834160.db2.gz KNGHRHARBKGECR-HOTGVXAUSA-N -1 3 398.684 3.894 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000545217284 1015668181 /nfs/dbraw/zinc/66/81/81/1015668181.db2.gz CGJBTAOGKAIYNI-UHFFFAOYSA-N -1 3 394.175 3.871 20 0 GHADHM CN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598486197 992209865 /nfs/dbraw/zinc/20/98/65/992209865.db2.gz MDDXOVHWXSGDQP-UHFFFAOYSA-N -1 3 394.512 3.617 20 0 GHADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598503676 992471530 /nfs/dbraw/zinc/47/15/30/992471530.db2.gz VAFIFBSEPCSISQ-NRFANRHFSA-N -1 3 394.515 3.831 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000468515559 1015768894 /nfs/dbraw/zinc/76/88/94/1015768894.db2.gz GHKGVTMHQGHCSJ-FQEVSTJZSA-N -1 3 385.414 3.632 20 0 GHADHM C[C@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1-c1ccc(Cl)cc1 ZINC001593221054 994319372 /nfs/dbraw/zinc/31/93/72/994319372.db2.gz XHIWJZANSDTJGG-IFXJQAMLSA-N -1 3 386.879 3.733 20 0 GHADHM C[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593304350 994744922 /nfs/dbraw/zinc/74/49/22/994744922.db2.gz LDAXHSWFMYPMBF-ZDUSSCGKSA-N -1 3 383.366 3.942 20 0 GHADHM CC1(C)C[C@@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C(C)(C)O1 ZINC001593859854 996651950 /nfs/dbraw/zinc/65/19/50/996651950.db2.gz MBVVYMFJPYTYTJ-GFCCVEGCSA-N -1 3 389.279 3.566 20 0 GHADHM COC(=O)COc1ccc(CN(C)Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC001598866915 996712305 /nfs/dbraw/zinc/71/23/05/996712305.db2.gz SKUMYGRNQNCWPK-UHFFFAOYSA-N -1 3 399.468 3.783 20 0 GHADHM COc1cc(CNC2([C@@H]3CCCCO3)CCC2)c(Br)cc1C(=O)[O-] ZINC001599415580 997501637 /nfs/dbraw/zinc/50/16/37/997501637.db2.gz DCDBJKKRFJVCTL-INIZCTEOSA-N -1 3 398.297 3.737 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc2ncc(-c3ccccc3)nc21 ZINC001154491564 1032140652 /nfs/dbraw/zinc/14/06/52/1032140652.db2.gz MZILLMGTUIRFJG-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc2ncc(-c3ccccc3)nc21 ZINC001154491564 1032140660 /nfs/dbraw/zinc/14/06/60/1032140660.db2.gz MZILLMGTUIRFJG-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)C(F)(F)F ZINC000468888617 1016170553 /nfs/dbraw/zinc/17/05/53/1016170553.db2.gz HRDDKGVCODOQCJ-LLVKDONJSA-N -1 3 380.215 3.548 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599472230 998469016 /nfs/dbraw/zinc/46/90/16/998469016.db2.gz WYQXQZDDODYHPI-MDASCCDHSA-N -1 3 393.443 3.606 20 0 GHADHM COCO[C@H](C)c1cc(F)c(CN(CC(=O)[O-])C(C)C)cc1Br ZINC001599273723 998580104 /nfs/dbraw/zinc/58/01/04/998580104.db2.gz XZXSZHOPJMNGEU-LLVKDONJSA-N -1 3 392.265 3.565 20 0 GHADHM COC[C@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001599172534 998625768 /nfs/dbraw/zinc/62/57/68/998625768.db2.gz FGLWUQYNEKYAMY-ACJLOTCBSA-N -1 3 390.867 3.733 20 0 GHADHM C[C@@H]1CC[C@](NCc2cccc3c2OC(F)(F)O3)(C(=O)[O-])c2ccccc21 ZINC001594321194 999234383 /nfs/dbraw/zinc/23/43/83/999234383.db2.gz OZFXRVYGPRAXIS-CWTRNNRKSA-N -1 3 375.371 3.975 20 0 GHADHM C[C@H]1CCCN(C(=O)C2CCN(Cc3c(Cl)cccc3C(=O)[O-])CC2)C1 ZINC001594379358 999430876 /nfs/dbraw/zinc/43/08/76/999430876.db2.gz SJFDGZJQGLSYSJ-AWEZNQCLSA-N -1 3 378.900 3.509 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCc1cc(C(=O)[O-])ccc1F ZINC001594405492 999517807 /nfs/dbraw/zinc/51/78/07/999517807.db2.gz MEVXVTJBNCXYOR-PBFPGSCMSA-N -1 3 380.460 3.648 20 0 GHADHM NC(=O)c1ccc(Cc2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cc1 ZINC000547039927 1016792799 /nfs/dbraw/zinc/79/27/99/1016792799.db2.gz GLKWIMIXQVFBPI-UHFFFAOYSA-N -1 3 385.423 3.723 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3cc(C)ccn3)c2)cc1 ZINC000470523538 1016811333 /nfs/dbraw/zinc/81/13/33/1016811333.db2.gz VBNDEPSHMBVQAK-UHFFFAOYSA-N -1 3 383.473 3.812 20 0 GHADHM CC(C)c1nc(Cn2cc(C(=O)Nc3cccc([O-])c3F)ccc2=O)cs1 ZINC000547456829 1016926324 /nfs/dbraw/zinc/92/63/24/1016926324.db2.gz BQHOFLUJCJSYKD-UHFFFAOYSA-N -1 3 387.436 3.574 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)Nc3n[nH]c4ncc(Br)cc34)c2c1 ZINC001154527958 1032164746 /nfs/dbraw/zinc/16/47/46/1032164746.db2.gz KIIWZGZAJKDBEQ-UHFFFAOYSA-N -1 3 398.220 3.535 20 0 GHADHM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001155015548 1032381504 /nfs/dbraw/zinc/38/15/04/1032381504.db2.gz GTYSZXCDSABMLW-OXQOHEQNSA-N -1 3 381.472 3.591 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccccc3-c3ccccc3)C2)n1 ZINC001155142512 1032433485 /nfs/dbraw/zinc/43/34/85/1032433485.db2.gz BYTIZNIQJIDAJW-GOSISDBHSA-N -1 3 388.471 3.556 20 0 GHADHM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001227716647 1032528171 /nfs/dbraw/zinc/52/81/71/1032528171.db2.gz TXLNCKHUTACYJP-JQWIXIFHSA-N -1 3 396.274 3.734 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1F ZINC001155584611 1032587283 /nfs/dbraw/zinc/58/72/83/1032587283.db2.gz CXPKBPWRVDEYJJ-MRXNPFEDSA-N -1 3 383.778 3.748 20 0 GHADHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1cccnc1C(F)(F)F ZINC000561477442 1017865955 /nfs/dbraw/zinc/86/59/55/1017865955.db2.gz LJZHFJZOVGZOIJ-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM CC(C)(C)c1cc2ncc(C(=O)Nc3cc(Br)ccc3[O-])cn2n1 ZINC001155847699 1032740002 /nfs/dbraw/zinc/74/00/02/1032740002.db2.gz HUIBLMDSDBTEHD-UHFFFAOYSA-N -1 3 389.253 3.747 20 0 GHADHM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000562219175 1018076811 /nfs/dbraw/zinc/07/68/11/1018076811.db2.gz JGXWQBVRIVJGFX-ORYQWCPZSA-N -1 3 394.471 3.561 20 0 GHADHM C[C@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCCO1 ZINC000562844172 1018702482 /nfs/dbraw/zinc/70/24/82/1018702482.db2.gz JNBHCOWUDMLLSI-MRXNPFEDSA-N -1 3 390.241 3.700 20 0 GHADHM CON(C[C@@H]1CCCc2ccccc21)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001156014505 1032842630 /nfs/dbraw/zinc/84/26/30/1032842630.db2.gz NPKQDFLXCRDFKD-AWEZNQCLSA-N -1 3 398.409 3.930 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000571815812 1019713195 /nfs/dbraw/zinc/71/31/95/1019713195.db2.gz FCBBAIMYSKKNAH-AWEZNQCLSA-N -1 3 380.366 3.502 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(OC[C@@H]3CCOC3)CC2)c1C ZINC000571925388 1019727429 /nfs/dbraw/zinc/72/74/29/1019727429.db2.gz ANFRRWGYBNXSJJ-MRXNPFEDSA-N -1 3 384.476 3.572 20 0 GHADHM CC(C)(C)[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1O ZINC000574617766 1019894234 /nfs/dbraw/zinc/89/42/34/1019894234.db2.gz ULMAIKBCMYOAJE-ZIAGYGMSSA-N -1 3 387.505 3.886 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000576942978 1020092044 /nfs/dbraw/zinc/09/20/44/1020092044.db2.gz USMMFPROZYMMDA-HBGVWJBISA-N -1 3 394.515 3.939 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc2cc(Br)ccc2cn1 ZINC001156152564 1032901922 /nfs/dbraw/zinc/90/19/22/1032901922.db2.gz BWUFZVMPERLLLX-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001156285613 1032958761 /nfs/dbraw/zinc/95/87/61/1032958761.db2.gz XACGLJBSERVCBD-NSHDSACASA-N -1 3 396.800 3.692 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000834475965 1021213188 /nfs/dbraw/zinc/21/31/88/1021213188.db2.gz JPOYISHTCAWWMX-UHFFFAOYSA-N -1 3 392.521 3.730 20 0 GHADHM C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000653377610 1021241693 /nfs/dbraw/zinc/24/16/93/1021241693.db2.gz QISIJLAVOXGJTC-QGZVFWFLSA-N -1 3 392.499 3.538 20 0 GHADHM CC(C)[C@@H]1C[C@](NCc2cccc(C(=O)N(C)C)c2)(C(=O)[O-])c2ccccc21 ZINC000900035613 1021297665 /nfs/dbraw/zinc/29/76/65/1021297665.db2.gz JLIZFDVVZOTPRE-WMZHIEFXSA-N -1 3 380.488 3.601 20 0 GHADHM Cn1cc(-c2ccc(CN3CCC(c4ncc(C(=O)[O-])s4)CC3)s2)cn1 ZINC000901931336 1021464293 /nfs/dbraw/zinc/46/42/93/1021464293.db2.gz NCBMBNJVQOSFDG-UHFFFAOYSA-N -1 3 388.518 3.683 20 0 GHADHM COCC[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000803629236 1021617474 /nfs/dbraw/zinc/61/74/74/1021617474.db2.gz FEGQDNFZXIYYNU-CYBMUJFWSA-N -1 3 382.234 3.738 20 0 GHADHM O=C([O-])[C@H](CCNCc1ncc(Br)cc1Cl)Cc1ccccc1 ZINC000903993496 1021667260 /nfs/dbraw/zinc/66/72/60/1021667260.db2.gz RZCYOBWKOAZAID-CYBMUJFWSA-N -1 3 397.700 3.921 20 0 GHADHM CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140497306 1021869897 /nfs/dbraw/zinc/86/98/97/1021869897.db2.gz LIPCBIMJBWBCEI-HNNXBMFYSA-N -1 3 379.501 3.551 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001228621468 1033012611 /nfs/dbraw/zinc/01/26/11/1033012611.db2.gz AEKYUOSJDYKDLC-UONOGXRCSA-N -1 3 389.448 3.974 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC001140515207 1021904039 /nfs/dbraw/zinc/90/40/39/1021904039.db2.gz WQHAFOMRALQADW-UHFFFAOYSA-N -1 3 387.293 3.632 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001228626502 1033016180 /nfs/dbraw/zinc/01/61/80/1033016180.db2.gz AOCXUJQABSJIFZ-CQSZACIVSA-N -1 3 389.448 3.975 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccc([O-])c1Br ZINC001140549163 1021950840 /nfs/dbraw/zinc/95/08/40/1021950840.db2.gz FMIJNPZYLKVFAG-UONOGXRCSA-N -1 3 397.313 3.738 20 0 GHADHM [O-]c1cccc(CN2CCc3ncc(Br)cc3C2)c1Br ZINC001140551295 1021953831 /nfs/dbraw/zinc/95/38/31/1021953831.db2.gz ZHKWRGAZHGSBLO-UHFFFAOYSA-N -1 3 398.098 3.871 20 0 GHADHM COc1ccc(OC2CCN(Cc3cccc([O-])c3Br)CC2)nc1 ZINC001140555472 1021958407 /nfs/dbraw/zinc/95/84/07/1021958407.db2.gz JULDYUJOXLPDSN-UHFFFAOYSA-N -1 3 393.281 3.602 20 0 GHADHM O=c1[n-]c(SCCCn2ccnc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000681648656 1022317498 /nfs/dbraw/zinc/31/74/98/1022317498.db2.gz ZQGKNRSVXMTUAI-UHFFFAOYSA-N -1 3 386.868 3.553 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000681754283 1022323775 /nfs/dbraw/zinc/32/37/75/1022323775.db2.gz YKEHTUBQNDSXSE-RUZDIDTESA-N -1 3 398.462 3.719 20 0 GHADHM C[C@H]1CCCC(=O)CCCC=Cc2cc([O-])cc(OC3CC(=O)C3)c2C(=O)O1 ZINC001228732466 1033068983 /nfs/dbraw/zinc/06/89/83/1033068983.db2.gz XMOPISRZFBSZOO-AWEZNQCLSA-N -1 3 386.444 3.984 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000754407473 1022681127 /nfs/dbraw/zinc/68/11/27/1022681127.db2.gz AVCZUWUYJIUDSU-UHFFFAOYSA-N -1 3 387.361 3.669 20 0 GHADHM [O-]c1ccc(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)c(F)c1F ZINC001140887767 1022802145 /nfs/dbraw/zinc/80/21/45/1022802145.db2.gz HCLVGERQWGNTGY-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM [O-]c1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)c(F)c1F ZINC001140889715 1022806104 /nfs/dbraw/zinc/80/61/04/1022806104.db2.gz ZGGPEQHXMGXMCZ-IBGZPJMESA-N -1 3 395.400 3.803 20 0 GHADHM [O-]c1ccc(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1F ZINC001140889518 1022806679 /nfs/dbraw/zinc/80/66/79/1022806679.db2.gz UOUHUCRWEJRQOK-LAUBAEHRSA-N -1 3 390.430 3.516 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc(F)c([O-])c(F)c3)CC[C@@H]2C1 ZINC001140988011 1023092263 /nfs/dbraw/zinc/09/22/63/1023092263.db2.gz JZKHRNOUGYJQKL-GASCZTMLSA-N -1 3 382.451 3.749 20 0 GHADHM O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)C1 ZINC001140988622 1023092668 /nfs/dbraw/zinc/09/26/68/1023092668.db2.gz GAROCLPHBWHOCW-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000836557322 1023113300 /nfs/dbraw/zinc/11/33/00/1023113300.db2.gz PFZUAUKCCGAWDR-UHFFFAOYSA-N -1 3 388.468 3.699 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000836557322 1023113303 /nfs/dbraw/zinc/11/33/03/1023113303.db2.gz PFZUAUKCCGAWDR-UHFFFAOYSA-N -1 3 388.468 3.699 20 0 GHADHM Cc1nc(NC([O-])=NO[C@@H](CO)C(C)C)sc1Cc1ccccc1Cl ZINC000836754555 1023340692 /nfs/dbraw/zinc/34/06/92/1023340692.db2.gz KOTNPBBDMHPFNH-AWEZNQCLSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C(C)C)sc1Cc1ccccc1Cl ZINC000836754555 1023340702 /nfs/dbraw/zinc/34/07/02/1023340702.db2.gz KOTNPBBDMHPFNH-AWEZNQCLSA-N -1 3 383.901 3.766 20 0 GHADHM O=C([N-][C@H]1CCc2c1ccc(F)c2Br)C(F)(F)C1CCOCC1 ZINC000836883856 1023439292 /nfs/dbraw/zinc/43/92/92/1023439292.db2.gz XDYWSMIGJFGPLN-ZDUSSCGKSA-N -1 3 392.215 3.754 20 0 GHADHM Cc1cc(C)cc(-n2ncc(CNC[C@H](CC(=O)[O-])c3ccc(Cl)cc3)n2)c1 ZINC000756303418 1023585046 /nfs/dbraw/zinc/58/50/46/1023585046.db2.gz VIYCTKQSWOBQJG-KRWDZBQOSA-N -1 3 398.894 3.886 20 0 GHADHM COC(=O)[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757048546 1023919479 /nfs/dbraw/zinc/91/94/79/1023919479.db2.gz XQUGWSIPVMWBFT-MEDUHNTESA-N -1 3 383.341 3.723 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000837028641 1023962399 /nfs/dbraw/zinc/96/23/99/1023962399.db2.gz QYLPUIZGCFILHE-DLBZAZTESA-N -1 3 388.508 3.810 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1csc(-c2ccccc2)n1 ZINC001141213220 1024149777 /nfs/dbraw/zinc/14/97/77/1024149777.db2.gz VOSKZYFLGOIQIJ-INIZCTEOSA-N -1 3 387.505 3.826 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1csc(-c2ccccc2)n1 ZINC001141213220 1024149783 /nfs/dbraw/zinc/14/97/83/1024149783.db2.gz VOSKZYFLGOIQIJ-INIZCTEOSA-N -1 3 387.505 3.826 20 0 GHADHM COc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000163014297 1033192040 /nfs/dbraw/zinc/19/20/40/1033192040.db2.gz IZNRNPNCZUIDAN-UHFFFAOYSA-N -1 3 392.374 3.837 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000831224526 1024435490 /nfs/dbraw/zinc/43/54/90/1024435490.db2.gz KGNIPJVCWVGNSW-CJNGLKHVSA-N -1 3 394.537 3.880 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837507834 1024515320 /nfs/dbraw/zinc/51/53/20/1024515320.db2.gz CNEGZUBDRZZWCY-UHFFFAOYSA-N -1 3 389.864 3.999 20 0 GHADHM CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141360797 1024712554 /nfs/dbraw/zinc/71/25/54/1024712554.db2.gz LSPQETWTQQVRQT-OAQYLSRUSA-N -1 3 380.488 3.788 20 0 GHADHM COc1cc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1O ZINC000837877815 1024772458 /nfs/dbraw/zinc/77/24/58/1024772458.db2.gz OBXLONRLPAVVAS-SNVBAGLBSA-N -1 3 388.445 3.575 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(C(=O)OCc2ccccc2)CCC1 ZINC000838151887 1024949815 /nfs/dbraw/zinc/94/98/15/1024949815.db2.gz YUPQCLLLMZMWNF-UHFFFAOYSA-N -1 3 385.435 3.636 20 0 GHADHM O=C(N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC001141482156 1025196976 /nfs/dbraw/zinc/19/69/76/1025196976.db2.gz MVAVCMNQRBFYBR-GCJKJVERSA-N -1 3 393.414 3.712 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(Oc2cc(O)cc([O-])c2Br)CC1 ZINC001229099158 1033278850 /nfs/dbraw/zinc/27/88/50/1033278850.db2.gz IYEWBSRUXHNWSR-UHFFFAOYSA-N -1 3 388.258 3.639 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000838808552 1025379742 /nfs/dbraw/zinc/37/97/42/1025379742.db2.gz DUKDGAFKCAIMEW-LBPRGKRZSA-N -1 3 385.302 3.501 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229097787 1033276446 /nfs/dbraw/zinc/27/64/46/1033276446.db2.gz XHVBSEIAIWFEIJ-QGZVFWFLSA-N -1 3 394.265 3.849 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1 ZINC001138923409 1025590876 /nfs/dbraw/zinc/59/08/76/1025590876.db2.gz HHZILXFHLDOVMI-UHFFFAOYSA-N -1 3 375.852 3.847 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cnnc(-c2ccccc2)c1 ZINC001461018379 1069339620 /nfs/dbraw/zinc/33/96/20/1069339620.db2.gz ZKTQFPMJDHBWSJ-UHFFFAOYSA-N -1 3 391.431 3.977 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094920 1025907107 /nfs/dbraw/zinc/90/71/07/1025907107.db2.gz KZMYMWLXXVFBNH-VQTJNVASSA-N -1 3 391.475 3.526 20 0 GHADHM Cc1cc(F)c(Br)cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885047 1025953125 /nfs/dbraw/zinc/95/31/25/1025953125.db2.gz BWMZOBXOINNUDZ-UHFFFAOYSA-N -1 3 398.232 3.827 20 0 GHADHM Cc1cc(F)c(Br)cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885047 1025953127 /nfs/dbraw/zinc/95/31/27/1025953127.db2.gz BWMZOBXOINNUDZ-UHFFFAOYSA-N -1 3 398.232 3.827 20 0 GHADHM COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001163077291 1026034744 /nfs/dbraw/zinc/03/47/44/1026034744.db2.gz FARKGXKBSSQUNG-IBGZPJMESA-N -1 3 383.488 3.885 20 0 GHADHM O=C([N-]Cc1nnc(C2CC2)s1)C(F)(F)c1ccccc1Br ZINC000839905889 1026340562 /nfs/dbraw/zinc/34/05/62/1026340562.db2.gz CXRRTMPHZRFRAX-UHFFFAOYSA-N -1 3 388.237 3.586 20 0 GHADHM O=C([N-]C1(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)C1CCOCC1 ZINC000833225283 1026345281 /nfs/dbraw/zinc/34/52/81/1026345281.db2.gz AKLQASFPMITHAT-UHFFFAOYSA-N -1 3 379.325 3.752 20 0 GHADHM COC(=O)c1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1 ZINC001164447741 1026516189 /nfs/dbraw/zinc/51/61/89/1026516189.db2.gz JORCPNMMCCTYEK-UHFFFAOYSA-N -1 3 398.469 3.662 20 0 GHADHM C[C@]1(c2ccc(F)cc2)CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CCO1 ZINC001165158443 1026639349 /nfs/dbraw/zinc/63/93/49/1026639349.db2.gz UMJDZUYIMUJVAF-OAHLLOKOSA-N -1 3 389.830 3.855 20 0 GHADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001210100904 1027341945 /nfs/dbraw/zinc/34/19/45/1027341945.db2.gz FFCIELVWDXXAGJ-QGZVFWFLSA-N -1 3 393.480 3.692 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1Cl ZINC001210332398 1027454977 /nfs/dbraw/zinc/45/49/77/1027454977.db2.gz BARHXSFUXUIYEE-UHFFFAOYSA-N -1 3 383.203 3.978 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3[C@H](C)CCC3(C)C)cs2)c1 ZINC001141933336 1027698109 /nfs/dbraw/zinc/69/81/09/1027698109.db2.gz DXPCARXMQBTMDK-CYBMUJFWSA-N -1 3 387.505 3.741 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001210944797 1027714793 /nfs/dbraw/zinc/71/47/93/1027714793.db2.gz YUYRRPQLUIFXPM-OFAQMXQXSA-N -1 3 387.929 3.987 20 0 GHADHM O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)[N-]OCc1ccccn1 ZINC001141946243 1027727774 /nfs/dbraw/zinc/72/77/74/1027727774.db2.gz GWUDNXBZHYKAML-UHFFFAOYSA-N -1 3 381.379 3.891 20 0 GHADHM O=C1C(=Cc2cccc([O-])c2Br)NC(=S)N1C1CCCCC1 ZINC000840732747 1027772555 /nfs/dbraw/zinc/77/25/55/1027772555.db2.gz JIHRXJAVEXXHHE-XFXZXTDPSA-N -1 3 381.295 3.545 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc2C1)c1cnc(-c2ccccc2)s1 ZINC001211341795 1027914147 /nfs/dbraw/zinc/91/41/47/1027914147.db2.gz OYAFUPLQBACDTC-OAHLLOKOSA-N -1 3 384.526 3.894 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1[O-] ZINC001142030830 1027921960 /nfs/dbraw/zinc/92/19/60/1027921960.db2.gz BCQRILGPRKNEHD-UHFFFAOYSA-N -1 3 395.434 3.829 20 0 GHADHM O=S(=O)([N-]CC12CCC(CC1)C2)c1c(Cl)cccc1Br ZINC001211388752 1027936997 /nfs/dbraw/zinc/93/69/97/1027936997.db2.gz UPEUPVOOYPRQHD-UHFFFAOYSA-N -1 3 378.719 3.961 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@H](C)C2)c(C)c1Cl ZINC001211466811 1027974260 /nfs/dbraw/zinc/97/42/60/1027974260.db2.gz FRRSJPYTMDATGW-IQJOONFLSA-N -1 3 379.931 3.600 20 0 GHADHM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc(=O)[n-]cn1 ZINC001142082411 1028058405 /nfs/dbraw/zinc/05/84/05/1028058405.db2.gz FDKQQTGDVZOVDI-UHFFFAOYSA-N -1 3 380.351 3.501 20 0 GHADHM [O-]c1c(F)cc(Nc2nc(Br)cnc2Br)cc1F ZINC001213373376 1028138366 /nfs/dbraw/zinc/13/83/66/1028138366.db2.gz FBXKXRLAYOELKX-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM CCOC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)n(Cc2ccccc2F)n1 ZINC001213375170 1028146573 /nfs/dbraw/zinc/14/65/73/1028146573.db2.gz SFLQKWNTTQQCPN-UHFFFAOYSA-N -1 3 391.349 3.975 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)s1 ZINC001213492984 1028225363 /nfs/dbraw/zinc/22/53/63/1028225363.db2.gz LPVGOIOFCBORSZ-LSDHHAIUSA-N -1 3 380.535 3.793 20 0 GHADHM Cc1cccc([C@H]([N-]S(=O)(=O)CCC2CCCC2)C(=O)OC(C)(C)C)c1 ZINC001213907185 1028444484 /nfs/dbraw/zinc/44/44/84/1028444484.db2.gz CXQNTNCOWNKPSK-SFHVURJKSA-N -1 3 381.538 3.878 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(Br)ccc3OC)no2)[n-]1 ZINC001213974799 1028483964 /nfs/dbraw/zinc/48/39/64/1028483964.db2.gz BKSUSSSQYOWMJJ-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC12CCCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC001213978991 1028486839 /nfs/dbraw/zinc/48/68/39/1028486839.db2.gz WJLKYBVQRWJOOZ-AWEZNQCLSA-N -1 3 398.937 3.844 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC(F)(F)C1)c1ccc(F)cc1C(F)(F)F ZINC001213988709 1028497225 /nfs/dbraw/zinc/49/72/25/1028497225.db2.gz MHESPZBAQFFOEE-SECBINFHSA-N -1 3 375.334 3.948 20 0 GHADHM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142258503 1028508816 /nfs/dbraw/zinc/50/88/16/1028508816.db2.gz HSIYOUFKKJKOOG-QKKBWIMNSA-N -1 3 398.409 3.704 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001214056965 1028527953 /nfs/dbraw/zinc/52/79/53/1028527953.db2.gz PVLATFQZKNYNLZ-QRWLVFNGSA-N -1 3 381.538 3.698 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC001142279574 1028561487 /nfs/dbraw/zinc/56/14/87/1028561487.db2.gz BTWLGLCWOJBORB-HIFRSBDPSA-N -1 3 395.459 3.549 20 0 GHADHM CCOC(=O)c1cc2cc(OC)c(N)cc2n1-c1c(Cl)ccc([O-])c1F ZINC001214561329 1028793116 /nfs/dbraw/zinc/79/31/16/1028793116.db2.gz GQHHYMQYONCZNM-UHFFFAOYSA-N -1 3 378.787 3.896 20 0 GHADHM O=S(=O)(Cc1ccc(Nc2c(Cl)ccc([O-])c2F)cc1)N1CCCC1 ZINC001214563787 1028793899 /nfs/dbraw/zinc/79/38/99/1028793899.db2.gz SMWGEOBNRVUDEZ-UHFFFAOYSA-N -1 3 384.860 3.854 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c(C)c1OC ZINC000841796613 1028942156 /nfs/dbraw/zinc/94/21/56/1028942156.db2.gz RIPLQURHALEFJU-INIZCTEOSA-N -1 3 383.366 3.947 20 0 GHADHM Cc1cc(C)cc(-n2ncc(CN[C@@H](C(=O)[O-])C(C3CCC3)C3CCC3)n2)c1 ZINC000841817694 1028964834 /nfs/dbraw/zinc/96/48/34/1028964834.db2.gz KPTRZFPWHMTXSD-OAQYLSRUSA-N -1 3 382.508 3.643 20 0 GHADHM CC(C)Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001215805122 1029398393 /nfs/dbraw/zinc/39/83/93/1029398393.db2.gz CHQFSZQDNIJLNX-UHFFFAOYSA-N -1 3 381.476 3.581 20 0 GHADHM CON(C)C(=O)c1ccc(Nc2ncc(Br)cc2[O-])c(Cl)c1 ZINC001215897360 1029447328 /nfs/dbraw/zinc/44/73/28/1029447328.db2.gz CSPFKJJUERLSRN-UHFFFAOYSA-N -1 3 386.633 3.580 20 0 GHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)cc1 ZINC001216014594 1029493333 /nfs/dbraw/zinc/49/33/33/1029493333.db2.gz PYUJLOSANIBUFS-UHFFFAOYSA-N -1 3 394.394 3.815 20 0 GHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)cc1 ZINC001216014594 1029493340 /nfs/dbraw/zinc/49/33/40/1029493340.db2.gz PYUJLOSANIBUFS-UHFFFAOYSA-N -1 3 394.394 3.815 20 0 GHADHM CC(=O)N(C)c1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1 ZINC001142817611 1029525805 /nfs/dbraw/zinc/52/58/05/1029525805.db2.gz ZIVLCWJHOJFHKB-UHFFFAOYSA-N -1 3 391.427 3.607 20 0 GHADHM COc1ccc(Br)cc1-c1noc(-c2c([O-])cc(C)cc2O)n1 ZINC001216267535 1029589234 /nfs/dbraw/zinc/58/92/34/1029589234.db2.gz MBIOBPQXVWHVMZ-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM COCCN(CCCc1ccccc1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001142887181 1029638374 /nfs/dbraw/zinc/63/83/74/1029638374.db2.gz VSZLNFXBKDHFLU-UHFFFAOYSA-N -1 3 398.890 3.903 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2ccc(Br)cc2Cl)no1 ZINC001216726990 1029907349 /nfs/dbraw/zinc/90/73/49/1029907349.db2.gz JEXHTKWZZHXVHQ-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM Cc1cc(C)cc(CCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001222041697 1029946035 /nfs/dbraw/zinc/94/60/35/1029946035.db2.gz YWZPKLRGUWXHPX-UHFFFAOYSA-N -1 3 377.282 3.813 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001222115333 1029970095 /nfs/dbraw/zinc/97/00/95/1029970095.db2.gz QFSWPKSIUQALJE-YCPHGPKFSA-N -1 3 397.441 3.947 20 0 GHADHM CCOc1cccc(-c2nc(-c3ncc(Br)cc3OC)no2)c1[O-] ZINC001216955844 1030028704 /nfs/dbraw/zinc/02/87/04/1030028704.db2.gz DBXZRDAULXCJOK-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc(OC4CC4)cc3)no2)c1C ZINC001216962713 1030035709 /nfs/dbraw/zinc/03/57/09/1030035709.db2.gz ZFPZEILCZBSFPU-UHFFFAOYSA-N -1 3 377.400 3.530 20 0 GHADHM Cc1c(F)ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1F ZINC001217017585 1030093209 /nfs/dbraw/zinc/09/32/09/1030093209.db2.gz CJSNSBRFWACFJM-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM Cc1ccc(Cl)c(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1 ZINC001217019052 1030097626 /nfs/dbraw/zinc/09/76/26/1030097626.db2.gz IHDPPTYEHHBLGR-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM Cc1cc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cs1 ZINC001149512870 1030201571 /nfs/dbraw/zinc/20/15/71/1030201571.db2.gz GNYYWSSAEQLGQF-UHFFFAOYSA-N -1 3 387.486 3.961 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Oc2ccccc2)ccc1O ZINC001149790292 1030305068 /nfs/dbraw/zinc/30/50/68/1030305068.db2.gz TYRIBUYSUJHIMS-UHFFFAOYSA-N -1 3 391.427 3.878 20 0 GHADHM COc1ncc(-c2noc(-c3nc4cc(Br)ccc4[n-]3)n2)cc1C ZINC001217322279 1030308752 /nfs/dbraw/zinc/30/87/52/1030308752.db2.gz XMTFYAGPRSXBMS-UHFFFAOYSA-N -1 3 386.209 3.754 20 0 GHADHM COc1ncc(-c2noc(-c3nc4ccc(Br)cc4[n-]3)n2)cc1C ZINC001217322279 1030308774 /nfs/dbraw/zinc/30/87/74/1030308774.db2.gz XMTFYAGPRSXBMS-UHFFFAOYSA-N -1 3 386.209 3.754 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(OCc4ccccc4)cn3)no2)C1=O ZINC001217355082 1030331521 /nfs/dbraw/zinc/33/15/21/1030331521.db2.gz OSDCBVHESZDBIO-UHFFFAOYSA-N -1 3 398.378 3.512 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2occ(C(=O)[N-]c3c(Cl)cnnc3Cl)c2C1 ZINC001149875538 1030336606 /nfs/dbraw/zinc/33/66/06/1030336606.db2.gz YYPDYRVJTBMORC-UHFFFAOYSA-N -1 3 399.234 3.879 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3cc4cc(O)ccc4cc3[O-])n2)cc1 ZINC001217419184 1030379145 /nfs/dbraw/zinc/37/91/45/1030379145.db2.gz QJDFUCLPPZKOCQ-UHFFFAOYSA-N -1 3 391.383 3.601 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(OC(C)C)nc4)no3)c2c1 ZINC001217499526 1030442656 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3.638 20 0 GHADHM C[NH2+][C@H]1CC[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)CC1 ZINC001218189430 1030814941 /nfs/dbraw/zinc/81/49/41/1030814941.db2.gz URLQLRBTBWRFCY-KOMQPUFPSA-N -1 3 381.428 3.781 20 0 GHADHM Cc1ccc(O)cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001151617137 1030957137 /nfs/dbraw/zinc/95/71/37/1030957137.db2.gz MIVJHNPZFWRMOJ-NRFANRHFSA-N -1 3 390.439 3.906 20 0 GHADHM O=C(Nc1cccc(Cl)c1CO)c1nc2cc(Br)ccc2[n-]1 ZINC001151826258 1031020581 /nfs/dbraw/zinc/02/05/81/1031020581.db2.gz CHVSOTAUSYTRHB-UHFFFAOYSA-N -1 3 380.629 3.723 20 0 GHADHM O=C(Nc1cccc(Cl)c1CO)c1nc2ccc(Br)cc2[n-]1 ZINC001151826258 1031020594 /nfs/dbraw/zinc/02/05/94/1031020594.db2.gz CHVSOTAUSYTRHB-UHFFFAOYSA-N -1 3 380.629 3.723 20 0 GHADHM C[C@H](N)c1ncc(C(=O)[N-]c2c(F)cc(F)c(F)c2Br)s1 ZINC001218830892 1031101452 /nfs/dbraw/zinc/10/14/52/1031101452.db2.gz SYDKKECFYUFVCU-BYPYZUCNSA-N -1 3 380.189 3.595 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)n[n-]1)c1ccccc1 ZINC001152293465 1031175745 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O=C(Nc1nccn1-c1ccccc1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001154147984 1031952321 /nfs/dbraw/zinc/95/23/21/1031952321.db2.gz LYWXVJMNDHEGNY-UHFFFAOYSA-N -1 3 386.411 3.810 20 0 GHADHM Cc1cccc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c1F ZINC001461826698 1069774170 /nfs/dbraw/zinc/77/41/70/1069774170.db2.gz LNIRGHFQLUZXQG-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM Cc1cccc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c1F ZINC001461826698 1069774178 /nfs/dbraw/zinc/77/41/78/1069774178.db2.gz LNIRGHFQLUZXQG-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1O ZINC001226479252 1031974460 /nfs/dbraw/zinc/97/44/60/1031974460.db2.gz MRPDWKPIMRNUST-IIBYNOLFSA-N -1 3 391.464 3.859 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)cc12 ZINC001226536119 1031999701 /nfs/dbraw/zinc/99/97/01/1031999701.db2.gz UEOHVPHFAOAUBA-KZULUSFZSA-N -1 3 389.448 3.831 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CC1 ZINC001226551144 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ZQOVQYWIWYGTMJ-QGZVFWFLSA-N -1 3 390.484 3.504 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C(C)C)C(C)(C)COC(=O)C(C)C ZINC001229338470 1033423435 /nfs/dbraw/zinc/42/34/35/1033423435.db2.gz ZQOVQYWIWYGTMJ-QGZVFWFLSA-N -1 3 390.484 3.504 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157232387 1033484127 /nfs/dbraw/zinc/48/41/27/1033484127.db2.gz DGRBMKUHDZMIKY-CYBMUJFWSA-N -1 3 384.402 3.867 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001157233040 1033486089 /nfs/dbraw/zinc/48/60/89/1033486089.db2.gz GYGGXPZYLVSZER-SECBINFHSA-N -1 3 376.766 3.513 20 0 GHADHM Cc1cc(F)c(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)cc1F ZINC001206059861 1033703349 /nfs/dbraw/zinc/70/33/49/1033703349.db2.gz HZAISEOMSYHQKJ-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC=C(c2ccc(OC)cc2)CC1 ZINC001157734193 1033745895 /nfs/dbraw/zinc/74/58/95/1033745895.db2.gz LHKBVWAREPOIQO-UHFFFAOYSA-N -1 3 398.850 3.700 20 0 GHADHM O=C(Nc1cc(O)cc(Br)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001157901910 1033817756 /nfs/dbraw/zinc/81/77/56/1033817756.db2.gz GDVGUWSUMLNIBQ-UHFFFAOYSA-N -1 3 395.159 3.527 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC(Cc3ccc(Br)cc3)C2)cc1[O-] ZINC001157939027 1033828260 /nfs/dbraw/zinc/82/82/60/1033828260.db2.gz VQOXVONQAKOJNJ-UHFFFAOYSA-N -1 3 388.261 3.672 20 0 GHADHM O=c1nc(O[C@@H]2CCOc3ccccc32)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230187568 1033936382 /nfs/dbraw/zinc/93/63/82/1033936382.db2.gz AIRYULUYTCKUEF-OAQYLSRUSA-N -1 3 389.455 3.643 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccccc2NCc2ccco2)c([O-])c(OC)c1 ZINC001158246576 1033985216 /nfs/dbraw/zinc/98/52/16/1033985216.db2.gz VGVWKWDRKCUXAA-UHFFFAOYSA-N -1 3 396.399 3.645 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c(C)n1CC1CC1 ZINC001158346534 1034037653 /nfs/dbraw/zinc/03/76/53/1034037653.db2.gz YOAKTKZHTYSDCE-UHFFFAOYSA-N -1 3 392.459 3.847 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c(C)n1CC1CC1 ZINC001158346534 1034037668 /nfs/dbraw/zinc/03/76/68/1034037668.db2.gz YOAKTKZHTYSDCE-UHFFFAOYSA-N -1 3 392.459 3.847 20 0 GHADHM CN(Cc1c(F)cccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001230418640 1034043343 /nfs/dbraw/zinc/04/33/43/1034043343.db2.gz PJGLXKNVWPPCBY-UHFFFAOYSA-N -1 3 385.208 3.775 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)NCCCC2CC2)c2ccccc21)C(F)(F)F ZINC001230426515 1034046983 /nfs/dbraw/zinc/04/69/83/1034046983.db2.gz HGUFPTZDQOQRLR-AWEZNQCLSA-N -1 3 383.414 3.559 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@H](c1ccccc1)c1ccccc1Cl ZINC001230502222 1034093211 /nfs/dbraw/zinc/09/32/11/1034093211.db2.gz XLVWANFJTYNGHB-GOSISDBHSA-N -1 3 384.819 3.720 20 0 GHADHM O=c1nc2cccc(F)c2c(O/C(=C\[C@H](O)C(F)(F)F)c2cccs2)[n-]1 ZINC001231072980 1034378369 /nfs/dbraw/zinc/37/83/69/1034378369.db2.gz DNMGENLWAMESST-UMAGTOLTSA-N -1 3 386.326 3.879 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001231073243 1034379239 /nfs/dbraw/zinc/37/92/39/1034379239.db2.gz KCAZCPDJORQUEB-HXUWFJFHSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231073243 1034379256 /nfs/dbraw/zinc/37/92/56/1034379256.db2.gz KCAZCPDJORQUEB-HXUWFJFHSA-N -1 3 386.411 3.730 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231075374 1034380432 /nfs/dbraw/zinc/38/04/32/1034380432.db2.gz APYPPAPFYBMRAF-GOSISDBHSA-N -1 3 393.447 3.738 20 0 GHADHM C[C@@]1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC(c2cccc(Cl)c2F)=NO1 ZINC001159063609 1034408329 /nfs/dbraw/zinc/40/83/29/1034408329.db2.gz RKZWYPBCKMVQBH-SFHVURJKSA-N -1 3 388.786 3.583 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)c2ccc3oc(=S)[n-]c3c2)N(C)C)cc1 ZINC001159269732 1034514432 /nfs/dbraw/zinc/51/44/32/1034514432.db2.gz ZQLQXPUARKOQOV-MRXNPFEDSA-N -1 3 387.530 3.871 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231457952 1034602061 /nfs/dbraw/zinc/60/20/61/1034602061.db2.gz BTTYNYJJCKATDU-CQSZACIVSA-N -1 3 380.460 3.603 20 0 GHADHM CCOC[C@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2c1cnn2CC ZINC001231523688 1034675550 /nfs/dbraw/zinc/67/55/50/1034675550.db2.gz VTNBUCJJOVZPAX-CQSZACIVSA-N -1 3 383.414 3.763 20 0 GHADHM CC(C)COC[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2ncn(C)c21 ZINC001231523079 1034675699 /nfs/dbraw/zinc/67/56/99/1034675699.db2.gz OFCQUFPKXFBCMC-HNNXBMFYSA-N -1 3 397.441 3.917 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526093 1034679216 /nfs/dbraw/zinc/67/92/16/1034679216.db2.gz MAJRNCCOUXZZIB-KBPBESRZSA-N -1 3 386.414 3.995 20 0 GHADHM CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001277547609 1034816191 /nfs/dbraw/zinc/81/61/91/1034816191.db2.gz HZOLFSTZZXBYSY-IAGOWNOFSA-N -1 3 393.325 3.686 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1(C)C ZINC001160028523 1034836292 /nfs/dbraw/zinc/83/62/92/1034836292.db2.gz HJRMAWSGUVSUFG-INIZCTEOSA-N -1 3 382.382 3.933 20 0 GHADHM [O-]c1cc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)ccc1Cl ZINC001231730612 1034867280 /nfs/dbraw/zinc/86/72/80/1034867280.db2.gz IWHQOGUOBQLBJG-GOSISDBHSA-N -1 3 388.895 3.781 20 0 GHADHM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160953745 1035104134 /nfs/dbraw/zinc/10/41/34/1035104134.db2.gz AHJAWEINTMPYHP-UHFFFAOYSA-N -1 3 378.823 3.553 20 0 GHADHM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160953745 1035104139 /nfs/dbraw/zinc/10/41/39/1035104139.db2.gz AHJAWEINTMPYHP-UHFFFAOYSA-N -1 3 378.823 3.553 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)s2)cs1 ZINC001160954364 1035104766 /nfs/dbraw/zinc/10/47/66/1035104766.db2.gz GLYCIADZYUQYBM-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)s2)cs1 ZINC001160954364 1035104772 /nfs/dbraw/zinc/10/47/72/1035104772.db2.gz GLYCIADZYUQYBM-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(Oc3cc(C)[nH]n3)cc1)c2=O ZINC001160980767 1035111294 /nfs/dbraw/zinc/11/12/94/1035111294.db2.gz NTXWHPWEVXDQOH-UHFFFAOYSA-N -1 3 390.399 3.613 20 0 GHADHM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001161102722 1035142128 /nfs/dbraw/zinc/14/21/28/1035142128.db2.gz DXSWEFUIIGNBBT-WPPNPWJKSA-N -1 3 384.661 3.836 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC001209083505 1035166436 /nfs/dbraw/zinc/16/64/36/1035166436.db2.gz YFJLXESAGYQWAC-UHFFFAOYSA-N -1 3 379.287 3.700 20 0 GHADHM [O-]c1cc(Br)cnc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001461956968 1069913716 /nfs/dbraw/zinc/91/37/16/1069913716.db2.gz RAHFJYOUZJEGQY-INIZCTEOSA-N -1 3 377.282 3.731 20 0 GHADHM CCCCCC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)OCC ZINC001209428060 1035272754 /nfs/dbraw/zinc/27/27/54/1035272754.db2.gz CHUSHTVHKWBULY-QGZVFWFLSA-N -1 3 395.443 3.674 20 0 GHADHM Cc1[nH]nc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1-c1cccc(F)c1 ZINC001161720793 1035290355 /nfs/dbraw/zinc/29/03/55/1035290355.db2.gz SFBYLCSKNZOKJK-UHFFFAOYSA-N -1 3 376.391 3.926 20 0 GHADHM CCOC(=O)c1nc2cc(C(F)(F)F)c(-c3c(F)ccc([O-])c3F)cn2n1 ZINC001241294892 1035551862 /nfs/dbraw/zinc/55/18/62/1035551862.db2.gz AAQIHNNHELBISC-UHFFFAOYSA-N -1 3 387.264 3.576 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc3c(c2)CCCC3=O)no1 ZINC001248246327 1035693399 /nfs/dbraw/zinc/69/33/99/1035693399.db2.gz LTILQXNYLPUCGI-INIZCTEOSA-N -1 3 383.835 3.857 20 0 GHADHM Cc1cc(Cl)ccc1NC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001248408580 1035825664 /nfs/dbraw/zinc/82/56/64/1035825664.db2.gz RKBQYWZLZJDYMC-UHFFFAOYSA-N -1 3 389.908 3.509 20 0 GHADHM COc1ccc2cccc(-c3noc(CNC(=O)c4ccccc4[O-])n3)c2c1 ZINC001248499561 1035917954 /nfs/dbraw/zinc/91/79/54/1035917954.db2.gz GZWDSQKADOZHAE-UHFFFAOYSA-N -1 3 375.384 3.534 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001278412987 1036966242 /nfs/dbraw/zinc/96/62/42/1036966242.db2.gz OOHYXGBGCFLMDT-WCQYABFASA-N -1 3 376.806 3.534 20 0 GHADHM CCC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H](N)Cc4nnn[n-]4)n3)cc2)CC1 ZINC001247301545 1038086801 /nfs/dbraw/zinc/08/68/01/1038086801.db2.gz CDNBABIDWTVQDB-ZQIUZPCESA-N -1 3 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392.471 3.860 20 0 GHADHM O=C(c1ccccc1)N1CCC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394338 1039228102 /nfs/dbraw/zinc/22/81/02/1039228102.db2.gz KJJXNCMLZZOFDP-UHFFFAOYSA-N -1 3 386.442 3.799 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)[C@@H](C(F)(F)F)C1 ZINC001233397269 1039233491 /nfs/dbraw/zinc/23/34/91/1039233491.db2.gz RGBROLJPUOQKEX-CYBMUJFWSA-N -1 3 396.356 3.654 20 0 GHADHM COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(Cl)c1[O-] ZINC001233400261 1039241183 /nfs/dbraw/zinc/24/11/83/1039241183.db2.gz BHJBPGCZEIZUSK-OCCSQVGLSA-N -1 3 384.904 3.932 20 0 GHADHM COc1ccc(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c(Cl)c1[O-] ZINC001233401204 1039243381 /nfs/dbraw/zinc/24/33/81/1039243381.db2.gz QCDLXZBOWJQQGM-CHWSQXEVSA-N -1 3 384.904 3.884 20 0 GHADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC001253679915 1039762871 /nfs/dbraw/zinc/76/28/71/1039762871.db2.gz YKWSLHZHSXDASD-RDJZCZTQSA-N -1 3 384.348 3.757 20 0 GHADHM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC001253679913 1039763549 /nfs/dbraw/zinc/76/35/49/1039763549.db2.gz YKWSLHZHSXDASD-NVXWUHKLSA-N -1 3 384.348 3.757 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2Oc1c(Cl)ccc([O-])c1F ZINC001234266149 1039945885 /nfs/dbraw/zinc/94/58/85/1039945885.db2.gz ZAWGASNIFKFVIR-FZKQIMNGSA-N -1 3 387.835 3.732 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1Cl ZINC001254038461 1039968408 /nfs/dbraw/zinc/96/84/08/1039968408.db2.gz JFTVNSRHKYAAPX-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccn1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001254317106 1040170219 /nfs/dbraw/zinc/17/02/19/1040170219.db2.gz JLUBQQHUWWONHC-GFCCVEGCSA-N -1 3 384.301 3.682 20 0 GHADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234693592 1040225880 /nfs/dbraw/zinc/22/58/80/1040225880.db2.gz ZPTMQURRIKTZGX-PXNSSMCTSA-N -1 3 391.471 3.518 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(C)=O ZINC001234790299 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20 0 GHADHM [O-]c1cc(CN2CCN(Cc3c(F)cccc3F)CC2)ccc1Br ZINC001236698936 1041839872 /nfs/dbraw/zinc/83/98/72/1041839872.db2.gz OCKBNFZZBHJUQZ-UHFFFAOYSA-N -1 3 397.263 3.751 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)s1 ZINC001237168316 1042076403 /nfs/dbraw/zinc/07/64/03/1042076403.db2.gz IBIGSLJAHFZYJL-UHFFFAOYSA-N -1 3 395.809 3.982 20 0 GHADHM [O-]c1c(F)cc(CN2CCCC3(CCN(c4ncccn4)CC3)C2)cc1Cl ZINC001237987521 1042445230 /nfs/dbraw/zinc/44/52/30/1042445230.db2.gz HVKFXJRMSPXBEL-UHFFFAOYSA-N -1 3 390.890 3.857 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cccc(-c2cccs2)n1 ZINC001238217236 1042523018 /nfs/dbraw/zinc/52/30/18/1042523018.db2.gz RLGGQJJKIUGSLH-INIZCTEOSA-N -1 3 387.505 3.826 20 0 GHADHM CCOC(=O)c1nc2ccc(-c3ccc(C4(N5CCOCC5)CC4)cc3)cc2[n-]1 ZINC001240869277 1042961550 /nfs/dbraw/zinc/96/15/50/1042961550.db2.gz XPLMSMZIIIJSPU-UHFFFAOYSA-N -1 3 391.471 3.728 20 0 GHADHM CCOC(=O)c1nc2cc(-c3ccc(C4(N5CCOCC5)CC4)cc3)ccc2[n-]1 ZINC001240869277 1042961553 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CC(=O)[N-]C(=O)c1cccc(-c2nnc(-c3ccc(OC(C)C)cc3)o2)c1C ZINC001256930362 1043755568 /nfs/dbraw/zinc/75/55/68/1043755568.db2.gz HOBJSSDFZRXGON-UHFFFAOYSA-N -1 3 379.416 3.776 20 0 GHADHM C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)N1CCc2ccccc2C1 ZINC001292489758 1043760759 /nfs/dbraw/zinc/76/07/59/1043760759.db2.gz KZYSBOYJTZNICZ-CYBMUJFWSA-N -1 3 378.394 3.588 20 0 GHADHM CSc1cccc(N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001292563032 1043787579 /nfs/dbraw/zinc/78/75/79/1043787579.db2.gz UYBYDZPFEOUFLS-UHFFFAOYSA-N -1 3 384.910 3.710 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1Cl ZINC001257378069 1043975481 /nfs/dbraw/zinc/97/54/81/1043975481.db2.gz BOEHPUHRKJPSDJ-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)c1 ZINC001462813024 1070563246 /nfs/dbraw/zinc/56/32/46/1070563246.db2.gz DSBJSFYJIUKEIY-SFHVURJKSA-N -1 3 393.480 3.986 20 0 GHADHM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc([O-])cc(Br)c1 ZINC001294655933 1044749576 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CC1(C)C[C@@H](C2([N-]S(=O)(=O)c3ccc(Br)s3)CC2)CCO1 ZINC001259062970 1044943587 /nfs/dbraw/zinc/94/35/87/1044943587.db2.gz LVJQLUJMKFIJII-JTQLQIEISA-N -1 3 394.356 3.527 20 0 GHADHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccncc1 ZINC001259073944 1044948702 /nfs/dbraw/zinc/94/87/02/1044948702.db2.gz VICBCRWPTAJDMT-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccc2ccccc2c1 ZINC001259169445 1044989501 /nfs/dbraw/zinc/98/95/01/1044989501.db2.gz RXDIKGXSNBHVKR-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2c(C)c(Br)cnc2Cl)c1 ZINC001259183981 1044996534 /nfs/dbraw/zinc/99/65/34/1044996534.db2.gz PMBWVIAJWOOGSP-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2OC)c(Cl)c1 ZINC001259204590 1045006823 /nfs/dbraw/zinc/00/68/23/1045006823.db2.gz XLOQDFCBUQXNRS-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM CC(C)(C)c1cnn2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cnc12 ZINC001259236069 1045033071 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3.631 20 0 GHADHM O=S(=O)([N-]c1ccsc1Br)c1cccc(OC(F)F)c1 ZINC001259440522 1045157366 /nfs/dbraw/zinc/15/73/66/1045157366.db2.gz ZYKBVZFKSJRNOX-UHFFFAOYSA-N -1 3 384.223 3.913 20 0 GHADHM CSc1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC001259472016 1045184407 /nfs/dbraw/zinc/18/44/07/1045184407.db2.gz FMAIVMYIXCIESY-UHFFFAOYSA-N -1 3 375.874 3.558 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1cc(F)c(F)c(F)c1 ZINC001259495549 1045203147 /nfs/dbraw/zinc/20/31/47/1045203147.db2.gz PYFQQVJJIPGTRL-UHFFFAOYSA-N -1 3 375.130 3.746 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cc(F)cc21)c1ccc(Cl)cc1F ZINC001259515588 1045217508 /nfs/dbraw/zinc/21/75/08/1045217508.db2.gz LVNRCLWJANZJML-ZDUSSCGKSA-N -1 3 377.771 3.559 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(Cl)nc2Br)c1 ZINC001259517203 1045218931 /nfs/dbraw/zinc/21/89/31/1045218931.db2.gz QMULUFPTROUMBR-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC001259719124 1045275074 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Cc1cc2c([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)cccc2nn1 ZINC001260032563 1045364469 /nfs/dbraw/zinc/36/44/69/1045364469.db2.gz HWWPTHLLJWPRFA-UHFFFAOYSA-N -1 3 381.379 3.899 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c1 ZINC001260086855 1045377597 /nfs/dbraw/zinc/37/75/97/1045377597.db2.gz IBBIOXZQMPOEQM-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(Cl)cc1 ZINC001296983622 1045417902 /nfs/dbraw/zinc/41/79/02/1045417902.db2.gz IZCAPCFSGSJOOW-OAHLLOKOSA-N -1 3 397.700 3.841 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1 ZINC001260239570 1045422388 /nfs/dbraw/zinc/42/23/88/1045422388.db2.gz BYVUGWMHMUDYOY-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3cnncc3Cl)c1C)CC(C)(C)O2 ZINC001260245586 1045426122 /nfs/dbraw/zinc/42/61/22/1045426122.db2.gz ZMNSHMDTSQKMLR-UHFFFAOYSA-N -1 3 381.885 3.570 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(F)c(CO)c3)c1C)CC(C)(C)O2 ZINC001260246901 1045426833 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GHADHM COc1cc(NC(=O)c2cc([O-])cc(Br)c2)cc(-n2cccn2)c1 ZINC001297454612 1045528921 /nfs/dbraw/zinc/52/89/21/1045528921.db2.gz PLHRKHPNSNMFLL-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM C/C(=C/C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC001297608709 1045587319 /nfs/dbraw/zinc/58/73/19/1045587319.db2.gz BKJQODIKVQUHPY-QDLRVKAISA-N -1 3 387.867 3.623 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(C4OCCO4)c3)ccc2O1 ZINC001260717775 1045623376 /nfs/dbraw/zinc/62/33/76/1045623376.db2.gz KXQSUCGQYRNSPG-UHFFFAOYSA-N -1 3 389.473 3.636 20 0 GHADHM O=S(=O)([N-]c1cccnc1F)c1ccc(Br)cc1C(F)(F)F ZINC001260882967 1045741233 /nfs/dbraw/zinc/74/12/33/1045741233.db2.gz APWNSPVJWUKBIS-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001298407696 1045801105 /nfs/dbraw/zinc/80/11/05/1045801105.db2.gz PXXZJZBCGFIIHJ-OAQYLSRUSA-N -1 3 379.431 3.780 20 0 GHADHM O=S(=O)([N-]Cc1cnc2ccccc2c1)c1ccc(F)cc1C(F)(F)F ZINC001261011366 1045831264 /nfs/dbraw/zinc/83/12/64/1045831264.db2.gz OXIFCYPDXQZOKZ-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(F)ccc21)c1ccc(F)cc1C(F)(F)F ZINC001261013299 1045833663 /nfs/dbraw/zinc/83/36/63/1045833663.db2.gz SVCXEYQRAWDVBB-ZDUSSCGKSA-N -1 3 393.333 3.786 20 0 GHADHM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261015045 1045840636 /nfs/dbraw/zinc/84/06/36/1045840636.db2.gz XIEKZTQKTLTULT-ZDUSSCGKSA-N -1 3 393.789 3.944 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)Cc1ccn(-c2ccccc2)n1 ZINC001298513135 1045844020 /nfs/dbraw/zinc/84/40/20/1045844020.db2.gz GTFVUBVWHMAOOW-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM Cn1nc2cc(Br)ccc2c1C(=O)Nc1c([O-])cccc1Cl ZINC001298551233 1045867216 /nfs/dbraw/zinc/86/72/16/1045867216.db2.gz WOZLEPISELLXOI-UHFFFAOYSA-N -1 3 380.629 3.947 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC001261580647 1046035956 /nfs/dbraw/zinc/03/59/56/1046035956.db2.gz WMLCNOFSYKDIMS-HRDYMLBCSA-N -1 3 386.247 3.714 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1cnc(-c2ccccc2)s1 ZINC001463038348 1070749650 /nfs/dbraw/zinc/74/96/50/1070749650.db2.gz GEEOSKSUBOLGSB-UHFFFAOYSA-N -1 3 376.478 3.860 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnc2ccccc2c1C(F)(F)F ZINC001262805938 1046353121 /nfs/dbraw/zinc/35/31/21/1046353121.db2.gz KGNKGMJNXOMSTJ-UHFFFAOYSA-N -1 3 375.232 3.643 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnc2ccccc2c1C(F)(F)F ZINC001262805938 1046353139 /nfs/dbraw/zinc/35/31/39/1046353139.db2.gz KGNKGMJNXOMSTJ-UHFFFAOYSA-N -1 3 375.232 3.643 20 0 GHADHM C[C@H]1CCc2nc([N-]C(=O)c3sc(Cl)nc3C(F)(F)F)ncc2C1 ZINC001262816816 1046360185 /nfs/dbraw/zinc/36/01/85/1046360185.db2.gz IRKGPLNDCCMKHF-LURJTMIESA-N -1 3 376.791 3.982 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001263007748 1046494227 /nfs/dbraw/zinc/49/42/27/1046494227.db2.gz AARBFKOYYRSAOL-GJZGRUSLSA-N -1 3 392.956 3.632 20 0 GHADHM NC(=O)CC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCCC1 ZINC001301405383 1046528530 /nfs/dbraw/zinc/52/85/30/1046528530.db2.gz HLKREVQSBIGJBM-UHFFFAOYSA-N -1 3 380.488 3.539 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000378909580 1046688513 /nfs/dbraw/zinc/68/85/13/1046688513.db2.gz ILXPXMULZOHBTD-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CC3CCC3)cs2)c1 ZINC001301803129 1046715123 /nfs/dbraw/zinc/71/51/23/1046715123.db2.gz SZGLUCJQDWSZIT-ZDUSSCGKSA-N -1 3 387.505 3.647 20 0 GHADHM C[C@@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC001302035341 1046788562 /nfs/dbraw/zinc/78/85/62/1046788562.db2.gz HTAYREATMMHWNT-HNNXBMFYSA-N -1 3 395.890 3.701 20 0 GHADHM Cc1ncc([C@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)s1 ZINC001302255130 1046888402 /nfs/dbraw/zinc/88/84/02/1046888402.db2.gz HRJLCKSNCBGRBX-QMMMGPOBSA-N -1 3 392.278 3.547 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C)c(OC)cc2C(C)C)o1 ZINC001463134213 1070836808 /nfs/dbraw/zinc/83/68/08/1070836808.db2.gz XWNPZPKLBPMMQA-KRWDZBQOSA-N -1 3 395.521 3.948 20 0 GHADHM CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001302436353 1046939999 /nfs/dbraw/zinc/93/99/99/1046939999.db2.gz HRPXPZVZEMYMOM-OAQYLSRUSA-N -1 3 386.451 3.540 20 0 GHADHM COC(=O)C[C@@](C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001302666155 1047034334 /nfs/dbraw/zinc/03/43/34/1047034334.db2.gz FEESTMXGPZDHLK-HSZRJFAPSA-N -1 3 381.472 3.639 20 0 GHADHM CCOc1nnc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)[n-]1 ZINC001302691730 1047044344 /nfs/dbraw/zinc/04/43/44/1047044344.db2.gz QNWZEHAKXJWWPU-UHFFFAOYSA-N -1 3 388.431 3.617 20 0 GHADHM CCOc1nc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)n[n-]1 ZINC001302691730 1047044354 /nfs/dbraw/zinc/04/43/54/1047044354.db2.gz QNWZEHAKXJWWPU-UHFFFAOYSA-N -1 3 388.431 3.617 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)n1 ZINC001302691730 1047044369 /nfs/dbraw/zinc/04/43/69/1047044369.db2.gz QNWZEHAKXJWWPU-UHFFFAOYSA-N -1 3 388.431 3.617 20 0 GHADHM CN(C)c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1F ZINC001302745099 1047082569 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398.463 3.869 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1ccc(Br)cc1Cl ZINC000391033261 1047526676 /nfs/dbraw/zinc/52/66/76/1047526676.db2.gz NRURABSAMXGLED-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM CSc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)ccc1Br ZINC001304106276 1047588277 /nfs/dbraw/zinc/58/82/77/1047588277.db2.gz HJUQSISYROQXPL-UHFFFAOYSA-N -1 3 398.282 3.712 20 0 GHADHM CSc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)ccc1Br ZINC001304106276 1047588280 /nfs/dbraw/zinc/58/82/80/1047588280.db2.gz HJUQSISYROQXPL-UHFFFAOYSA-N -1 3 398.282 3.712 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001304131259 1047595343 /nfs/dbraw/zinc/59/53/43/1047595343.db2.gz GADPIZVCDPNGQB-GFCCVEGCSA-N -1 3 396.413 3.998 20 0 GHADHM Cc1ncsc1CN1CCC12CN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001279279869 1047755704 /nfs/dbraw/zinc/75/57/04/1047755704.db2.gz QIWKJEKEUNRYDU-UHFFFAOYSA-N -1 3 383.439 3.636 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)OC1CCCCC1 ZINC001463266341 1070950376 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CCc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001453579424 1061161375 /nfs/dbraw/zinc/16/13/75/1061161375.db2.gz CWBJWRPJUKKKJS-ZBFHGGJFSA-N -1 3 376.497 3.720 20 0 GHADHM CON(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001453745868 1061198133 /nfs/dbraw/zinc/19/81/33/1061198133.db2.gz ZVYRMGDQMZCEHI-JTQLQIEISA-N -1 3 383.322 3.905 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2Cc2cccs2)cc(=O)[n-]1 ZINC001345949043 1061234043 /nfs/dbraw/zinc/23/40/43/1061234043.db2.gz PSQFYRKZLUWQFB-YOEHRIQHSA-N -1 3 396.520 3.628 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]4CCC[C@@H]43)n2Cc2cccs2)cc(=O)[n-]1 ZINC001345949036 1061234583 /nfs/dbraw/zinc/23/45/83/1061234583.db2.gz PSQFYRKZLUWQFB-PBHICJAKSA-N -1 3 396.520 3.628 20 0 GHADHM CCNC(=O)c1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c(C)s1 ZINC001454283725 1061696567 /nfs/dbraw/zinc/69/65/67/1061696567.db2.gz DDZCELMKBRVLTN-UHFFFAOYSA-N -1 3 389.864 3.553 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)[C@@H](F)c1ccccc1 ZINC001454628826 1061889518 /nfs/dbraw/zinc/88/95/18/1061889518.db2.gz HEBDELDIICXNFR-KRWDZBQOSA-N -1 3 382.395 3.628 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545858786 1062045774 /nfs/dbraw/zinc/04/57/74/1062045774.db2.gz XJEDUNGJDPQDHN-AGIUHOORSA-N -1 3 382.423 3.706 20 0 GHADHM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001347094709 1062110537 /nfs/dbraw/zinc/11/05/37/1062110537.db2.gz TZUXDDSKRFEYGZ-LBPRGKRZSA-N -1 3 398.916 3.767 20 0 GHADHM CCCC1(CCC)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001455452693 1062157889 /nfs/dbraw/zinc/15/78/89/1062157889.db2.gz YYWRXPAXXKTLPY-UHFFFAOYSA-N -1 3 396.528 3.841 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001455671572 1062254102 /nfs/dbraw/zinc/25/41/02/1062254102.db2.gz DYZCMHQVXZWHSQ-YJBOKZPZSA-N -1 3 375.513 3.832 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455673014 1062255632 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379.416 3.740 20 0 GHADHM COc1ccc(C[C@@H](C)N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001457610519 1063276252 /nfs/dbraw/zinc/27/62/52/1063276252.db2.gz YQUWNLWMRFKZEM-GFCCVEGCSA-N -1 3 386.398 3.518 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)c[n-]c12 ZINC001457663252 1063300370 /nfs/dbraw/zinc/30/03/70/1063300370.db2.gz WMDQFFZHGVGQML-OAHLLOKOSA-N -1 3 395.434 3.819 20 0 GHADHM COC(=O)c1nsc([N-]C(=O)c2cc3cc(Br)ccc3s2)n1 ZINC001436220470 1063303591 /nfs/dbraw/zinc/30/35/91/1063303591.db2.gz POIMKFLQMJZABO-UHFFFAOYSA-N -1 3 398.263 3.554 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(C)c(Cl)c3Cl)CC2)n1 ZINC001349458590 1063734028 /nfs/dbraw/zinc/73/40/28/1063734028.db2.gz AXKSUHCMLCEYFR-UHFFFAOYSA-N -1 3 395.290 3.505 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C(C)(C)CCCc3ccccc3)CC2)n1 ZINC001349461184 1063735624 /nfs/dbraw/zinc/73/56/24/1063735624.db2.gz TZFVJSWJGOTYGN-UHFFFAOYSA-N -1 3 396.535 3.625 20 0 GHADHM Cc1ccc2sc(NCC[N-]S(=O)(=O)c3ccc(F)cc3F)nc2c1C ZINC001458335143 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3 381.885 3.661 20 0 GHADHM CCc1nc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)nn1-c1ccccc1F ZINC001438635097 1064088914 /nfs/dbraw/zinc/08/89/14/1064088914.db2.gz SKDPUGWWWRMYRP-UHFFFAOYSA-N -1 3 382.292 3.778 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001459562663 1064128180 /nfs/dbraw/zinc/12/81/80/1064128180.db2.gz OOABLQHDSSVGGB-HNNXBMFYSA-N -1 3 398.894 3.974 20 0 GHADHM O=C([N-]c1cc(N2CCCC2=O)ccc1F)c1cc(-c2ccc(F)cc2)no1 ZINC001351101444 1064265546 /nfs/dbraw/zinc/26/55/46/1064265546.db2.gz BGARWFOEZBHCEZ-UHFFFAOYSA-N -1 3 383.354 3.999 20 0 GHADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC001351247162 1064325364 /nfs/dbraw/zinc/32/53/64/1064325364.db2.gz AGRCLGNMTOVYJS-UHFFFAOYSA-N -1 3 379.434 3.755 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC001463460348 1064371264 /nfs/dbraw/zinc/37/12/64/1064371264.db2.gz NKPPIORBJHFSHG-NHYWBVRUSA-N -1 3 393.908 3.655 20 0 GHADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001460065313 1064392645 /nfs/dbraw/zinc/39/26/45/1064392645.db2.gz XIWYUGDWRGRKQV-UONOGXRCSA-N -1 3 384.517 3.553 20 0 GHADHM O=S(=O)([N-]CCC1Cc2ccccc2C1)c1ccc(Br)cc1F ZINC001463518894 1064428522 /nfs/dbraw/zinc/42/85/22/1064428522.db2.gz KWGNTNZRHQMUSH-UHFFFAOYSA-N -1 3 398.297 3.672 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)cc1F ZINC001463665396 1064538313 /nfs/dbraw/zinc/53/83/13/1064538313.db2.gz HEFGWIAMZNWMOU-UHFFFAOYSA-N -1 3 391.798 3.752 20 0 GHADHM CC(=O)CCCCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001463707412 1064561156 /nfs/dbraw/zinc/56/11/56/1064561156.db2.gz UUIVISLABFKTKT-UHFFFAOYSA-N -1 3 396.734 3.839 20 0 GHADHM COc1ccc2nc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)sc2c1 ZINC001463767241 1064598819 /nfs/dbraw/zinc/59/88/19/1064598819.db2.gz SLQLIULGTSVLCB-UHFFFAOYSA-N -1 3 387.367 3.677 20 0 GHADHM CC1(C)CC(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000847097286 1064697591 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ZINC001465468718 1065640095 /nfs/dbraw/zinc/64/00/95/1065640095.db2.gz ZCJNORZMKGKGNT-SSDOTTSWSA-N -1 3 397.279 3.647 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)n1 ZINC001300200878 1065665090 /nfs/dbraw/zinc/66/50/90/1065665090.db2.gz GAZVCVHTIKABAF-UHFFFAOYSA-N -1 3 399.454 3.582 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001465650945 1065770176 /nfs/dbraw/zinc/77/01/76/1065770176.db2.gz YFVONRBLLQOWBG-UHFFFAOYSA-N -1 3 390.321 3.529 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C(C)C ZINC001353574237 1066052917 /nfs/dbraw/zinc/05/29/17/1066052917.db2.gz HKCGMDDIHKFVSW-MRXNPFEDSA-N -1 3 395.912 3.542 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc2ccccc2c1 ZINC001466319752 1066089496 /nfs/dbraw/zinc/08/94/96/1066089496.db2.gz GDRJAUXJVZQKQC-LJQANCHMSA-N -1 3 381.453 3.911 20 0 GHADHM CCOC(=O)C[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)CC(C)C ZINC001300369205 1066121518 /nfs/dbraw/zinc/12/15/18/1066121518.db2.gz RURJGYCJSVDZSX-ZDUSSCGKSA-N -1 3 392.883 3.527 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCC1 ZINC001466743853 1066290178 /nfs/dbraw/zinc/29/01/78/1066290178.db2.gz NDBIOGYCMKZMTG-UHFFFAOYSA-N -1 3 398.409 3.667 20 0 GHADHM Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ncccc3[O-])[C@@H]2c2cccs2)cc1 ZINC001466803606 1066324634 /nfs/dbraw/zinc/32/46/34/1066324634.db2.gz OHACIDGEVDHNDU-DNVCBOLYSA-N -1 3 393.468 3.890 20 0 GHADHM COc1nsc(C(=O)[N-]c2ccc(OC)c3cccnc23)c1Br ZINC001466979150 1066425540 /nfs/dbraw/zinc/42/55/40/1066425540.db2.gz PDZRWADBNKABIR-UHFFFAOYSA-N -1 3 394.250 3.723 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001467702978 1067428791 /nfs/dbraw/zinc/42/87/91/1067428791.db2.gz TUAPIUVTRUSTQM-QWHCGFSZSA-N -1 3 380.510 3.632 20 0 GHADHM CC(C)Cc1nsc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)n1 ZINC001358397386 1067512011 /nfs/dbraw/zinc/51/20/11/1067512011.db2.gz GNKHPBWDFIXGJQ-UHFFFAOYSA-N -1 3 392.435 3.847 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nn(C)c(C)c1Br ZINC001358481062 1067540385 /nfs/dbraw/zinc/54/03/85/1067540385.db2.gz BZJHZPOCYSCIJV-UHFFFAOYSA-N -1 3 375.226 3.707 20 0 GHADHM O=C(NCCOc1ccc(F)c(Cl)c1)c1cc([O-])cc(Br)c1 ZINC001468207587 1067631590 /nfs/dbraw/zinc/63/15/90/1067631590.db2.gz BGAXRIAKXCRNTJ-UHFFFAOYSA-N -1 3 388.620 3.756 20 0 GHADHM Cc1cccc(NC(=O)NCC(=O)Nc2c(C)c(Br)ccc2[O-])c1 ZINC001468426684 1067727597 /nfs/dbraw/zinc/72/75/97/1067727597.db2.gz XEZWAPKYDYBXKM-UHFFFAOYSA-N -1 3 392.253 3.532 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(NC(C)=O)c(F)cc2F)c1 ZINC000849307477 1067794887 /nfs/dbraw/zinc/79/48/87/1067794887.db2.gz VMGBTAWNDFRSEI-LLVKDONJSA-N -1 3 398.431 3.901 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2nc(C)ccc2Br)c(C)c1 ZINC000849335856 1067804337 /nfs/dbraw/zinc/80/43/37/1067804337.db2.gz ABCDJVUGLLFEPQ-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001468923517 1067928412 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GHADHM CC1(C)CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@](C)(C(F)(F)F)O1 ZINC001460156205 1068819901 /nfs/dbraw/zinc/81/99/01/1068819901.db2.gz AJENKGNCYDKRFM-GOSISDBHSA-N -1 3 381.398 3.781 20 0 GHADHM CCc1cccc(C(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC001471058397 1072908302 /nfs/dbraw/zinc/90/83/02/1072908302.db2.gz RYDIANXXLRTXEN-INIZCTEOSA-N -1 3 376.497 3.864 20 0 GHADHM CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc(C)ccc1C ZINC001471078470 1072913942 /nfs/dbraw/zinc/91/39/42/1072913942.db2.gz ITPRZCPITVQZFL-NRFANRHFSA-N -1 3 395.503 3.628 20 0 GHADHM CCOc1nnc(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)[n-]1 ZINC001471299581 1073005219 /nfs/dbraw/zinc/00/52/19/1073005219.db2.gz AQTFOKCHIRBFIY-INIZCTEOSA-N -1 3 386.839 3.924 20 0 GHADHM CCOc1nc(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)n[n-]1 ZINC001471299581 1073005228 /nfs/dbraw/zinc/00/52/28/1073005228.db2.gz AQTFOKCHIRBFIY-INIZCTEOSA-N -1 3 386.839 3.924 20 0 GHADHM CCOc1n[n-]c(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)n1 ZINC001471299581 1073005236 /nfs/dbraw/zinc/00/52/36/1073005236.db2.gz AQTFOKCHIRBFIY-INIZCTEOSA-N -1 3 386.839 3.924 20 0 GHADHM CN(CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccn1 ZINC001471491014 1073101459 /nfs/dbraw/zinc/10/14/59/1073101459.db2.gz NYZGFHDKYAMXFO-UHFFFAOYSA-N -1 3 375.472 3.634 20 0 GHADHM Cc1cc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1NC(=O)CC(C)C ZINC001471676538 1073175241 /nfs/dbraw/zinc/17/52/41/1073175241.db2.gz CFICAJAFOPPAFD-UHFFFAOYSA-N -1 3 394.475 3.509 20 0 GHADHM O=C(Nc1cccc(-c2cccnc2)n1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472018014 1073306540 /nfs/dbraw/zinc/30/65/40/1073306540.db2.gz PUUDWCZBLRYNOB-UHFFFAOYSA-N -1 3 378.338 3.516 20 0 GHADHM C[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109459 1073336349 /nfs/dbraw/zinc/33/63/49/1073336349.db2.gz OSZHUKYSJJENKA-QMMMGPOBSA-N -1 3 380.292 3.652 20 0 GHADHM C[C@H]1Cc2cc(NC(=O)c3c[n-]c4ccc(Br)cc4c3=O)ccc2O1 ZINC001472163913 1073353251 /nfs/dbraw/zinc/35/32/51/1073353251.db2.gz FPHJYERFKLUXLP-JTQLQIEISA-N -1 3 399.244 3.866 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1nc(Cl)ccc1Cl ZINC001472241967 1073380123 /nfs/dbraw/zinc/38/01/23/1073380123.db2.gz YIIAUZFSTAZOLI-UHFFFAOYSA-N -1 3 391.214 3.721 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1nc(Cl)ccc1Cl ZINC001472241967 1073380125 /nfs/dbraw/zinc/38/01/25/1073380125.db2.gz YIIAUZFSTAZOLI-UHFFFAOYSA-N -1 3 391.214 3.721 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)c[n-]c12 ZINC001472491343 1073510274 /nfs/dbraw/zinc/51/02/74/1073510274.db2.gz AVZFBICXPRMSAW-UHFFFAOYSA-N -1 3 389.455 3.761 20 0 GHADHM O=C(Nc1ccc(CCCc2ccccc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472500918 1073517014 /nfs/dbraw/zinc/51/70/14/1073517014.db2.gz JIJUMTKXRFIKOQ-UHFFFAOYSA-N -1 3 384.435 3.998 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CSc2ccc3c4c(cccc42)CC3)[n-]n1 ZINC001472537094 1073538177 /nfs/dbraw/zinc/53/81/77/1073538177.db2.gz UDEBZJXJYKHMGI-UHFFFAOYSA-N -1 3 381.457 3.569 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CSc2ccc3c4c(cccc42)CC3)n[n-]1 ZINC001472537094 1073538188 /nfs/dbraw/zinc/53/81/88/1073538188.db2.gz UDEBZJXJYKHMGI-UHFFFAOYSA-N -1 3 381.457 3.569 20 0 GHADHM C[C@H](Oc1ccnc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1)c1ccccc1 ZINC001472596086 1073566961 /nfs/dbraw/zinc/56/69/61/1073566961.db2.gz JEDPFNZLKGLEFQ-ZDUSSCGKSA-N -1 3 376.416 3.847 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3nnc(C=Cc4ccco4)s3)c(=O)c2c1 ZINC001472604707 1073570940 /nfs/dbraw/zinc/57/09/40/1073570940.db2.gz GKQSBJCIPOWMJS-ALCCZGGFSA-N -1 3 378.413 3.704 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1Cl)[N-]Cc1cc(-c2ccccc2)no1 ZINC001474823721 1074580154 /nfs/dbraw/zinc/58/01/54/1074580154.db2.gz BVJGWIPXZVGVOO-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM CN(CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl)Cc1ccccc1 ZINC001474872270 1074604650 /nfs/dbraw/zinc/60/46/50/1074604650.db2.gz HTJQMZVESKOILU-UHFFFAOYSA-N -1 3 394.949 3.965 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1Cl)c1csnc1-c1ccccc1 ZINC001474895129 1074617722 /nfs/dbraw/zinc/61/77/22/1074617722.db2.gz PGOKVBVFULYTSI-UHFFFAOYSA-N -1 3 378.906 3.985 20 0 GHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@@H](C)C1 ZINC001474990413 1074672311 /nfs/dbraw/zinc/67/23/11/1074672311.db2.gz RXQSYYXRRUCNMN-MYJAWHEDSA-N -1 3 381.723 3.601 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Oc1ccccc1C ZINC001475029463 1074694517 /nfs/dbraw/zinc/69/45/17/1074694517.db2.gz SFXVZIXGQOOCHW-LBPRGKRZSA-N -1 3 389.304 3.833 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)cc1F ZINC001475068071 1074722207 /nfs/dbraw/zinc/72/22/07/1074722207.db2.gz XRXCNXSGINWHHA-UHFFFAOYSA-N -1 3 384.835 3.929 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1ccc(Cl)cc1F ZINC001475098669 1074735848 /nfs/dbraw/zinc/73/58/48/1074735848.db2.gz RKLRLIOCVZNNAT-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC001475128513 1074749259 /nfs/dbraw/zinc/74/92/59/1074749259.db2.gz VCIVUUKTYUQWGA-SFHVURJKSA-N -1 3 377.506 3.800 20 0 GHADHM O=C1CCc2ccc(S(=O)(=O)[N-][C@H](C3CCCCC3)C(F)(F)F)cc21 ZINC001475185239 1074775368 /nfs/dbraw/zinc/77/53/68/1074775368.db2.gz NCXPRHJZWJMWJU-MRXNPFEDSA-N -1 3 375.412 3.605 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccc(OC(F)(F)F)cc2)s1 ZINC001475265960 1074812082 /nfs/dbraw/zinc/81/20/82/1074812082.db2.gz WXAODJSKCLSMKR-UHFFFAOYSA-N -1 3 394.440 3.818 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)(C(=O)OC)c1ccccc1 ZINC001475286990 1074823256 /nfs/dbraw/zinc/82/32/56/1074823256.db2.gz JZDFJBWWMGENFY-NRFANRHFSA-N -1 3 389.517 3.741 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CC1)c1cc2nc(Cl)ncc2s1 ZINC001475298914 1074826398 /nfs/dbraw/zinc/82/63/98/1074826398.db2.gz CMAIVNLSCXAXHJ-UHFFFAOYSA-N -1 3 397.884 3.537 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CC2CCC1CC2 ZINC001475424829 1074869991 /nfs/dbraw/zinc/86/99/91/1074869991.db2.gz FOQTVFYMXCWYHN-MCIGGMRASA-N -1 3 378.357 3.924 20 0 GHADHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001475501622 1074898274 /nfs/dbraw/zinc/89/82/74/1074898274.db2.gz VSKRTGAZARVCKE-JKSUJKDBSA-N -1 3 386.498 3.653 20 0 GHADHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1(F)F ZINC001475524824 1074904538 /nfs/dbraw/zinc/90/45/38/1074904538.db2.gz CJDGZEABFMFGNS-JTQLQIEISA-N -1 3 388.661 3.672 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3c(C)cccc32)c1 ZINC001475529998 1074905662 /nfs/dbraw/zinc/90/56/62/1074905662.db2.gz UBQQKQOOZFJOFT-GOSISDBHSA-N -1 3 391.464 3.667 20 0 GHADHM Cc1[nH]c2ccc(F)cc2c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475561216 1074915162 /nfs/dbraw/zinc/91/51/62/1074915162.db2.gz KJLGUZWTSLSTCN-UHFFFAOYSA-N -1 3 384.835 3.929 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC001475692068 1075000344 /nfs/dbraw/zinc/00/03/44/1075000344.db2.gz CRPQBAXMRZOULZ-LBPRGKRZSA-N -1 3 390.299 3.924 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1cccc(OC(F)(F)F)c1F ZINC001475692554 1075000535 /nfs/dbraw/zinc/00/05/35/1075000535.db2.gz UTPDBNCANZZKRN-LBPRGKRZSA-N -1 3 393.333 3.829 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1cccc(OC(F)(F)F)c1F ZINC001475695065 1075001002 /nfs/dbraw/zinc/00/10/02/1075001002.db2.gz UTPDBNCANZZKRN-GFCCVEGCSA-N -1 3 393.333 3.829 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001475698317 1075001512 /nfs/dbraw/zinc/00/15/12/1075001512.db2.gz UNOXDIMPFSKRTH-GOSISDBHSA-N -1 3 393.480 3.637 20 0 GHADHM O=S(=O)([N-][C@H](CCO)C1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC001475727001 1075009704 /nfs/dbraw/zinc/00/97/04/1075009704.db2.gz PEGUOBOZQQHYRO-CYBMUJFWSA-N -1 3 385.835 3.578 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1C1CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001475798619 1075023960 /nfs/dbraw/zinc/02/39/60/1075023960.db2.gz LWNBOPVWRUOHAQ-WDEREUQCSA-N -1 3 382.835 3.858 20 0 GHADHM Cc1cc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)ccc1Br ZINC001475904423 1075045673 /nfs/dbraw/zinc/04/56/73/1075045673.db2.gz MNHSJQVWHVLKFK-UHFFFAOYSA-N -1 3 387.241 3.505 20 0 GHADHM Cc1cc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)ccc1Br ZINC001475904423 1075045676 /nfs/dbraw/zinc/04/56/76/1075045676.db2.gz MNHSJQVWHVLKFK-UHFFFAOYSA-N -1 3 387.241 3.505 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccc(Cl)c2ncccc12 ZINC001476075695 1075080172 /nfs/dbraw/zinc/08/01/72/1075080172.db2.gz GARWKUBMPOECIY-UHFFFAOYSA-N -1 3 379.811 3.636 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccc(Cl)c2ncccc12 ZINC001476075695 1075080177 /nfs/dbraw/zinc/08/01/77/1075080177.db2.gz GARWKUBMPOECIY-UHFFFAOYSA-N -1 3 379.811 3.636 20 0 GHADHM O=C([N-]O[C@H](CO)C1CCCC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001476343736 1075130244 /nfs/dbraw/zinc/13/02/44/1075130244.db2.gz KGCAMXWKERRYQI-OAHLLOKOSA-N -1 3 399.278 3.783 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H]2CCC[C@H](C)C2)c1C ZINC000737503621 598840280 /nfs/dbraw/zinc/84/02/80/598840280.db2.gz QMFMJWJPBBQKIH-BBRMVZONSA-N -1 3 393.495 3.824 20 0 GHADHM Clc1ccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737571152 598858578 /nfs/dbraw/zinc/85/85/78/598858578.db2.gz UFIGXURULQTBCM-UHFFFAOYSA-N -1 3 396.838 3.972 20 0 GHADHM Clc1ccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737571152 598858579 /nfs/dbraw/zinc/85/85/79/598858579.db2.gz UFIGXURULQTBCM-UHFFFAOYSA-N -1 3 396.838 3.972 20 0 GHADHM COCCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000737012952 598860937 /nfs/dbraw/zinc/86/09/37/598860937.db2.gz DHONUAIVRGNUTH-UHFFFAOYSA-N -1 3 385.371 3.587 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000736137588 598869342 /nfs/dbraw/zinc/86/93/42/598869342.db2.gz LIDNIUNAEVRCAS-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000738443007 598870439 /nfs/dbraw/zinc/87/04/39/598870439.db2.gz UBBDJBAKJJLYGW-HXUWFJFHSA-N -1 3 390.491 3.647 20 0 GHADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000738443007 598870441 /nfs/dbraw/zinc/87/04/41/598870441.db2.gz UBBDJBAKJJLYGW-HXUWFJFHSA-N -1 3 390.491 3.647 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000735662012 598888734 /nfs/dbraw/zinc/88/87/34/598888734.db2.gz ZFUYGQLWUYGHQM-UHFFFAOYSA-N -1 3 399.886 3.667 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000735662012 598888736 /nfs/dbraw/zinc/88/87/36/598888736.db2.gz ZFUYGQLWUYGHQM-UHFFFAOYSA-N -1 3 399.886 3.667 20 0 GHADHM Cn1c(Cl)cnc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737591550 598902003 /nfs/dbraw/zinc/90/20/03/598902003.db2.gz LOLCZCJFWRGBCB-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(Cl)cnc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737591550 598902005 /nfs/dbraw/zinc/90/20/05/598902005.db2.gz LOLCZCJFWRGBCB-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114315597 598902708 /nfs/dbraw/zinc/90/27/08/598902708.db2.gz ZTCVUFUSXSCZPM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114315597 598902711 /nfs/dbraw/zinc/90/27/11/598902711.db2.gz ZTCVUFUSXSCZPM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736398710 598904710 /nfs/dbraw/zinc/90/47/10/598904710.db2.gz CSECGJDZHWMLHF-GFCCVEGCSA-N -1 3 380.399 3.655 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736398710 598904711 /nfs/dbraw/zinc/90/47/11/598904711.db2.gz CSECGJDZHWMLHF-GFCCVEGCSA-N -1 3 380.399 3.655 20 0 GHADHM CC[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736399551 598925734 /nfs/dbraw/zinc/92/57/34/598925734.db2.gz IDCGJMLEAXEVJR-SFHVURJKSA-N -1 3 391.475 3.850 20 0 GHADHM CC[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736399551 598925736 /nfs/dbraw/zinc/92/57/36/598925736.db2.gz IDCGJMLEAXEVJR-SFHVURJKSA-N -1 3 391.475 3.850 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000737997423 598944718 /nfs/dbraw/zinc/94/47/18/598944718.db2.gz VQGNFLAXGXDMKE-HXUWFJFHSA-N -1 3 387.418 3.720 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000737997423 598944720 /nfs/dbraw/zinc/94/47/20/598944720.db2.gz VQGNFLAXGXDMKE-HXUWFJFHSA-N -1 3 387.418 3.720 20 0 GHADHM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000738436349 598956728 /nfs/dbraw/zinc/95/67/28/598956728.db2.gz GFAIAOOVNIPVNC-UHFFFAOYSA-N -1 3 397.446 3.630 20 0 GHADHM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000738436349 598956730 /nfs/dbraw/zinc/95/67/30/598956730.db2.gz GFAIAOOVNIPVNC-UHFFFAOYSA-N -1 3 397.446 3.630 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737427520 598966963 /nfs/dbraw/zinc/96/69/63/598966963.db2.gz RQJPXKBWBVSQMC-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737427520 598966964 /nfs/dbraw/zinc/96/69/64/598966964.db2.gz RQJPXKBWBVSQMC-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NCC(=O)Nc2ccc(SC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822123078 607255828 /nfs/dbraw/zinc/25/58/28/607255828.db2.gz USFVSXVJAYWIGT-UHFFFAOYSA-N -1 3 390.419 3.540 20 0 GHADHM Cc1c(NCC(=O)Nc2ccc(SC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822123078 607255829 /nfs/dbraw/zinc/25/58/29/607255829.db2.gz USFVSXVJAYWIGT-UHFFFAOYSA-N -1 3 390.419 3.540 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000736508359 598970937 /nfs/dbraw/zinc/97/09/37/598970937.db2.gz KKEUIXZLXYNVHE-OAHLLOKOSA-N -1 3 399.520 3.762 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000736508359 598970939 /nfs/dbraw/zinc/97/09/39/598970939.db2.gz KKEUIXZLXYNVHE-OAHLLOKOSA-N -1 3 399.520 3.762 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508470 598971461 /nfs/dbraw/zinc/97/14/61/598971461.db2.gz MLONUENPNVMZJK-FIPLFPIMSA-N -1 3 397.504 3.559 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508470 598971463 /nfs/dbraw/zinc/97/14/63/598971463.db2.gz MLONUENPNVMZJK-FIPLFPIMSA-N -1 3 397.504 3.559 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736274868 598979808 /nfs/dbraw/zinc/97/98/08/598979808.db2.gz VTJBTTOWUCEPJI-MGPUTAFESA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736274868 598979810 /nfs/dbraw/zinc/97/98/10/598979810.db2.gz VTJBTTOWUCEPJI-MGPUTAFESA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736274869 598980057 /nfs/dbraw/zinc/98/00/57/598980057.db2.gz VTJBTTOWUCEPJI-QRWLVFNGSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736274869 598980059 /nfs/dbraw/zinc/98/00/59/598980059.db2.gz VTJBTTOWUCEPJI-QRWLVFNGSA-N -1 3 391.475 3.754 20 0 GHADHM O=C(CCC1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737825316 598994659 /nfs/dbraw/zinc/99/46/59/598994659.db2.gz XWCBCQRNASABAN-UHFFFAOYSA-N -1 3 379.439 3.725 20 0 GHADHM O=C(CCC1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737825316 598994660 /nfs/dbraw/zinc/99/46/60/598994660.db2.gz XWCBCQRNASABAN-UHFFFAOYSA-N -1 3 379.439 3.725 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000735857539 599002503 /nfs/dbraw/zinc/00/25/03/599002503.db2.gz UWDZTPYLTGPBPW-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000735857539 599002505 /nfs/dbraw/zinc/00/25/05/599002505.db2.gz UWDZTPYLTGPBPW-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736232433 599008753 /nfs/dbraw/zinc/00/87/53/599008753.db2.gz DFVCULOOSFOKDP-DNVCBOLYSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736232433 599008755 /nfs/dbraw/zinc/00/87/55/599008755.db2.gz DFVCULOOSFOKDP-DNVCBOLYSA-N -1 3 393.516 3.505 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(C(F)(F)F)CCCCC1 ZINC000735661562 599010036 /nfs/dbraw/zinc/01/00/36/599010036.db2.gz USSRWPLINDDPCU-UHFFFAOYSA-N -1 3 399.421 3.810 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(C(F)(F)F)CCCCC1 ZINC000735661562 599010037 /nfs/dbraw/zinc/01/00/37/599010037.db2.gz USSRWPLINDDPCU-UHFFFAOYSA-N -1 3 399.421 3.810 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736226173 599013606 /nfs/dbraw/zinc/01/36/06/599013606.db2.gz GHAXHTBXDWPRHA-CHWSQXEVSA-N -1 3 382.493 3.535 20 0 GHADHM CC(C)OCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735896881 599029284 /nfs/dbraw/zinc/02/92/84/599029284.db2.gz YKHMJWCFZQOYPM-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CC(C)OCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735896881 599029285 /nfs/dbraw/zinc/02/92/85/599029285.db2.gz YKHMJWCFZQOYPM-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CCN(C(=O)c1cccc2ccc(C)nc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507550 599041070 /nfs/dbraw/zinc/04/10/70/599041070.db2.gz FILWXDFTAVVJIG-OAHLLOKOSA-N -1 3 386.459 3.947 20 0 GHADHM CCN(C(=O)c1cccc2ccc(C)nc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507550 599041074 /nfs/dbraw/zinc/04/10/74/599041074.db2.gz FILWXDFTAVVJIG-OAHLLOKOSA-N -1 3 386.459 3.947 20 0 GHADHM Fc1ccccc1CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CC1 ZINC000737667859 599042674 /nfs/dbraw/zinc/04/26/74/599042674.db2.gz CHFPYCYBCWSOEX-UHFFFAOYSA-N -1 3 378.333 3.589 20 0 GHADHM Fc1ccccc1CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CC1 ZINC000737667859 599042677 /nfs/dbraw/zinc/04/26/77/599042677.db2.gz CHFPYCYBCWSOEX-UHFFFAOYSA-N -1 3 378.333 3.589 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)c2n1 ZINC000737376577 599042941 /nfs/dbraw/zinc/04/29/41/599042941.db2.gz IOLPRGCOLVWHFC-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)c2n1 ZINC000737376577 599042942 /nfs/dbraw/zinc/04/29/42/599042942.db2.gz IOLPRGCOLVWHFC-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1 ZINC000822192118 599044701 /nfs/dbraw/zinc/04/47/01/599044701.db2.gz ZHUQWPZGJXSFEE-CQSZACIVSA-N -1 3 383.525 3.842 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1 ZINC000822192118 599044704 /nfs/dbraw/zinc/04/47/04/599044704.db2.gz ZHUQWPZGJXSFEE-CQSZACIVSA-N -1 3 383.525 3.842 20 0 GHADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820777013 599050842 /nfs/dbraw/zinc/05/08/42/599050842.db2.gz OVZQRRJZCWAZLQ-JSGCOSHPSA-N -1 3 388.397 3.911 20 0 GHADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820777013 599050845 /nfs/dbraw/zinc/05/08/45/599050845.db2.gz OVZQRRJZCWAZLQ-JSGCOSHPSA-N -1 3 388.397 3.911 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1F ZINC000822795831 599051131 /nfs/dbraw/zinc/05/11/31/599051131.db2.gz HWAUQUDRMWUFBS-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1F ZINC000822795831 599051134 /nfs/dbraw/zinc/05/11/34/599051134.db2.gz HWAUQUDRMWUFBS-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM COc1ccc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000737055936 599063358 /nfs/dbraw/zinc/06/33/58/599063358.db2.gz JGVGTOCWYMWBNY-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM COc1ccc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000737055936 599063361 /nfs/dbraw/zinc/06/33/61/599063361.db2.gz JGVGTOCWYMWBNY-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737347782 599069084 /nfs/dbraw/zinc/06/90/84/599069084.db2.gz QZULJMBLYNDSIA-OAHLLOKOSA-N -1 3 378.480 3.511 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737347782 599069087 /nfs/dbraw/zinc/06/90/87/599069087.db2.gz QZULJMBLYNDSIA-OAHLLOKOSA-N -1 3 378.480 3.511 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccnc2c(Br)cccc12 ZINC000822761317 599070007 /nfs/dbraw/zinc/07/00/07/599070007.db2.gz IFAQMKUWDQKXCO-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1OCCc2sccc21 ZINC000822718973 599076814 /nfs/dbraw/zinc/07/68/14/599076814.db2.gz WZBXCNAKELKJQZ-CYBMUJFWSA-N -1 3 381.383 3.673 20 0 GHADHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821904198 599077478 /nfs/dbraw/zinc/07/74/78/599077478.db2.gz SRZRHMDZMHIWDA-LLVKDONJSA-N -1 3 393.369 3.774 20 0 GHADHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821904198 599077481 /nfs/dbraw/zinc/07/74/81/599077481.db2.gz SRZRHMDZMHIWDA-LLVKDONJSA-N -1 3 393.369 3.774 20 0 GHADHM Cc1nnc(Nc2ccc3nc(C(C)(C)C)sc3c2)c(-c2nnn[n-]2)c1C ZINC000822514127 599078285 /nfs/dbraw/zinc/07/82/85/599078285.db2.gz CDFJOWHSJHGOHE-UHFFFAOYSA-N -1 3 380.481 3.924 20 0 GHADHM Cc1nnc(Nc2ccc3nc(C(C)(C)C)sc3c2)c(-c2nn[n-]n2)c1C ZINC000822514127 599078287 /nfs/dbraw/zinc/07/82/87/599078287.db2.gz CDFJOWHSJHGOHE-UHFFFAOYSA-N -1 3 380.481 3.924 20 0 GHADHM CCC(CC)(CC)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736335640 599088644 /nfs/dbraw/zinc/08/86/44/599088644.db2.gz UIFJBWSAYKYDQY-UHFFFAOYSA-N -1 3 380.452 3.753 20 0 GHADHM CCC(CC)(CC)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736335640 599088646 /nfs/dbraw/zinc/08/86/46/599088646.db2.gz UIFJBWSAYKYDQY-UHFFFAOYSA-N -1 3 380.452 3.753 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820384562 599092120 /nfs/dbraw/zinc/09/21/20/599092120.db2.gz IDKGBVRJCOOINT-LBPRGKRZSA-N -1 3 381.440 3.591 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820384562 599092123 /nfs/dbraw/zinc/09/21/23/599092123.db2.gz IDKGBVRJCOOINT-LBPRGKRZSA-N -1 3 381.440 3.591 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000736211705 599092608 /nfs/dbraw/zinc/09/26/08/599092608.db2.gz RPHFNNHLKNZMOF-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000736211705 599092611 /nfs/dbraw/zinc/09/26/11/599092611.db2.gz RPHFNNHLKNZMOF-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736224289 599093602 /nfs/dbraw/zinc/09/36/02/599093602.db2.gz SBGPCMMPWCOCCG-QPPBQGQZSA-N -1 3 395.466 3.994 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736224289 599093605 /nfs/dbraw/zinc/09/36/05/599093605.db2.gz SBGPCMMPWCOCCG-QPPBQGQZSA-N -1 3 395.466 3.994 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000822233127 599108668 /nfs/dbraw/zinc/10/86/68/599108668.db2.gz IMAOINRLUQXMHJ-YLJYHZDGSA-N -1 3 390.491 3.639 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000822233127 599108669 /nfs/dbraw/zinc/10/86/69/599108669.db2.gz IMAOINRLUQXMHJ-YLJYHZDGSA-N -1 3 390.491 3.639 20 0 GHADHM COc1ccc([C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)C2)cc1 ZINC000737077496 599123435 /nfs/dbraw/zinc/12/34/35/599123435.db2.gz VAYNFLONKJCYTD-MRXNPFEDSA-N -1 3 386.459 3.726 20 0 GHADHM COc1ccc([C@@H]2CCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)C2)cc1 ZINC000737077496 599123437 /nfs/dbraw/zinc/12/34/37/599123437.db2.gz VAYNFLONKJCYTD-MRXNPFEDSA-N -1 3 386.459 3.726 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738219740 599131222 /nfs/dbraw/zinc/13/12/22/599131222.db2.gz ADRRELPGZIHAGV-UHFFFAOYSA-N -1 3 392.337 3.555 20 0 GHADHM c1ccc(CCCc2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823781007 599133727 /nfs/dbraw/zinc/13/37/27/599133727.db2.gz YIPANVPOAVQJGQ-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM c1ccc(CCCc2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823781007 599133729 /nfs/dbraw/zinc/13/37/29/599133729.db2.gz YIPANVPOAVQJGQ-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM C/C(=C/C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)(C)C ZINC000819763692 599141334 /nfs/dbraw/zinc/14/13/34/599141334.db2.gz AGZMUZABHBYYJY-XFXZXTDPSA-N -1 3 382.493 3.845 20 0 GHADHM C/C(=C/C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)(C)C ZINC000819763692 599141337 /nfs/dbraw/zinc/14/13/37/599141337.db2.gz AGZMUZABHBYYJY-XFXZXTDPSA-N -1 3 382.493 3.845 20 0 GHADHM CC(C)CN(C(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081708 599146240 /nfs/dbraw/zinc/14/62/40/599146240.db2.gz RUYGDHNIMPVPIK-KRWDZBQOSA-N -1 3 399.545 3.948 20 0 GHADHM CC(C)CN(C(=O)[C@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081708 599146243 /nfs/dbraw/zinc/14/62/43/599146243.db2.gz RUYGDHNIMPVPIK-KRWDZBQOSA-N -1 3 399.545 3.948 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000819865781 599146466 /nfs/dbraw/zinc/14/64/66/599146466.db2.gz HTQYEUIYMNWSQU-SNVBAGLBSA-N -1 3 377.326 3.796 20 0 GHADHM O=C(CCC(F)(F)F)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822950716 599151507 /nfs/dbraw/zinc/15/15/07/599151507.db2.gz YUUSUURZFDXRTQ-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM O=C(CCC(F)(F)F)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822950716 599151509 /nfs/dbraw/zinc/15/15/09/599151509.db2.gz YUUSUURZFDXRTQ-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418681 599151646 /nfs/dbraw/zinc/15/16/46/599151646.db2.gz CYOFFLFCCQNKBC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418681 599151647 /nfs/dbraw/zinc/15/16/47/599151647.db2.gz CYOFFLFCCQNKBC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1cc(Cl)ccc1Br ZINC000822744087 599156837 /nfs/dbraw/zinc/15/68/37/599156837.db2.gz LOESFOGHTVIBBY-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cc(Cl)ccc1Br ZINC000822744087 599156840 /nfs/dbraw/zinc/15/68/40/599156840.db2.gz LOESFOGHTVIBBY-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM O=C(O[C@@H](c1ccc(Br)cc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738215637 599157798 /nfs/dbraw/zinc/15/77/98/599157798.db2.gz SFWYESQBOWVSRD-MRXNPFEDSA-N -1 3 399.248 3.937 20 0 GHADHM O=C(O[C@@H](c1ccc(Br)cc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738215637 599157801 /nfs/dbraw/zinc/15/78/01/599157801.db2.gz SFWYESQBOWVSRD-MRXNPFEDSA-N -1 3 399.248 3.937 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820868694 599159286 /nfs/dbraw/zinc/15/92/86/599159286.db2.gz BPGANDDDZIXTGT-UONOGXRCSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820868694 599159289 /nfs/dbraw/zinc/15/92/89/599159289.db2.gz BPGANDDDZIXTGT-UONOGXRCSA-N -1 3 383.452 3.593 20 0 GHADHM Clc1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1Cl ZINC000737576087 599160017 /nfs/dbraw/zinc/16/00/17/599160017.db2.gz UJSCUSUSIWUNSR-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1Cl ZINC000737576087 599160019 /nfs/dbraw/zinc/16/00/19/599160019.db2.gz UJSCUSUSIWUNSR-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000736678703 599160667 /nfs/dbraw/zinc/16/06/67/599160667.db2.gz FQSYCSDIZYHQFP-ZJUUUORDSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000736678703 599160668 /nfs/dbraw/zinc/16/06/68/599160668.db2.gz FQSYCSDIZYHQFP-ZJUUUORDSA-N -1 3 375.404 3.511 20 0 GHADHM FC(F)(F)c1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737639851 599163259 /nfs/dbraw/zinc/16/32/59/599163259.db2.gz XNHAAHCACYZUHH-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM FC(F)(F)c1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737639851 599163261 /nfs/dbraw/zinc/16/32/61/599163261.db2.gz XNHAAHCACYZUHH-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1F ZINC000735735602 599165879 /nfs/dbraw/zinc/16/58/79/599165879.db2.gz NYRVZUDYFKEYBE-MRXNPFEDSA-N -1 3 389.431 3.900 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1F ZINC000735735602 599165881 /nfs/dbraw/zinc/16/58/81/599165881.db2.gz NYRVZUDYFKEYBE-MRXNPFEDSA-N -1 3 389.431 3.900 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000735736947 599168162 /nfs/dbraw/zinc/16/81/62/599168162.db2.gz XHCYYYAPCOTDKZ-KRWDZBQOSA-N -1 3 391.516 3.914 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000735736947 599168163 /nfs/dbraw/zinc/16/81/63/599168163.db2.gz XHCYYYAPCOTDKZ-KRWDZBQOSA-N -1 3 391.516 3.914 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000823242045 599172457 /nfs/dbraw/zinc/17/24/57/599172457.db2.gz OJGFPHNZZGUPAA-UHFFFAOYSA-N -1 3 397.797 3.849 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000823242045 599172458 /nfs/dbraw/zinc/17/24/58/599172458.db2.gz OJGFPHNZZGUPAA-UHFFFAOYSA-N -1 3 397.797 3.849 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000736293874 599175772 /nfs/dbraw/zinc/17/57/72/599175772.db2.gz VLAFSBYWUJTZJM-ZBFHGGJFSA-N -1 3 378.505 3.689 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736293874 599175775 /nfs/dbraw/zinc/17/57/75/599175775.db2.gz VLAFSBYWUJTZJM-ZBFHGGJFSA-N -1 3 378.505 3.689 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000735654123 599183573 /nfs/dbraw/zinc/18/35/73/599183573.db2.gz ACVWFEXQLFRACP-CQSZACIVSA-N -1 3 382.493 3.641 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000735654123 599183577 /nfs/dbraw/zinc/18/35/77/599183577.db2.gz ACVWFEXQLFRACP-CQSZACIVSA-N -1 3 382.493 3.641 20 0 GHADHM Cc1ccncc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737280821 599185555 /nfs/dbraw/zinc/18/55/55/599185555.db2.gz TUGXQSVIAYWNQZ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccncc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737280821 599185557 /nfs/dbraw/zinc/18/55/57/599185557.db2.gz TUGXQSVIAYWNQZ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735925069 599196674 /nfs/dbraw/zinc/19/66/74/599196674.db2.gz XDCASRSKSRPYTO-UHFFFAOYSA-N -1 3 377.492 3.672 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735925069 599196675 /nfs/dbraw/zinc/19/66/75/599196675.db2.gz XDCASRSKSRPYTO-UHFFFAOYSA-N -1 3 377.492 3.672 20 0 GHADHM Cc1ccc(CN(C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000822236314 599223955 /nfs/dbraw/zinc/22/39/55/599223955.db2.gz TZDWGWGGHZIAGQ-CQSZACIVSA-N -1 3 397.504 3.754 20 0 GHADHM Cc1ccc(CN(C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000822236314 599223958 /nfs/dbraw/zinc/22/39/58/599223958.db2.gz TZDWGWGGHZIAGQ-CQSZACIVSA-N -1 3 397.504 3.754 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736402602 599223997 /nfs/dbraw/zinc/22/39/97/599223997.db2.gz ORULMSVYUYFEAK-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736402602 599223999 /nfs/dbraw/zinc/22/39/99/599223999.db2.gz ORULMSVYUYFEAK-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736402942 599224445 /nfs/dbraw/zinc/22/44/45/599224445.db2.gz QRDGJJJIMZQMGF-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736235900 599226315 /nfs/dbraw/zinc/22/63/15/599226315.db2.gz PTBWTZXLIARNQA-LWLIDHTLSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736235900 599226317 /nfs/dbraw/zinc/22/63/17/599226317.db2.gz PTBWTZXLIARNQA-LWLIDHTLSA-N -1 3 381.867 3.576 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000822233621 599231433 /nfs/dbraw/zinc/23/14/33/599231433.db2.gz SBUQOALZCKKPIW-MLGOLLRUSA-N -1 3 382.493 3.938 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000822233621 599231437 /nfs/dbraw/zinc/23/14/37/599231437.db2.gz SBUQOALZCKKPIW-MLGOLLRUSA-N -1 3 382.493 3.938 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380535 599240256 /nfs/dbraw/zinc/24/02/56/599240256.db2.gz WACNDSHIGFAVIE-OAHLLOKOSA-N -1 3 391.479 3.740 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380535 599240261 /nfs/dbraw/zinc/24/02/61/599240261.db2.gz WACNDSHIGFAVIE-OAHLLOKOSA-N -1 3 391.479 3.740 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233515 599246299 /nfs/dbraw/zinc/24/62/99/599246299.db2.gz QLXPMRNBXZFXTJ-OALUTQOASA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233515 599246300 /nfs/dbraw/zinc/24/63/00/599246300.db2.gz QLXPMRNBXZFXTJ-OALUTQOASA-N -1 3 376.464 3.975 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737948776 597190635 /nfs/dbraw/zinc/19/06/35/597190635.db2.gz FBIVYWSZOOOHMT-UHFFFAOYSA-N -1 3 389.883 3.563 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000736480079 599248213 /nfs/dbraw/zinc/24/82/13/599248213.db2.gz JWNKOKZMOPJQPN-UHFFFAOYSA-N -1 3 379.395 3.804 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000736480079 599248215 /nfs/dbraw/zinc/24/82/15/599248215.db2.gz JWNKOKZMOPJQPN-UHFFFAOYSA-N -1 3 379.395 3.804 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736230879 599248512 /nfs/dbraw/zinc/24/85/12/599248512.db2.gz AAIOGAKIJFLGGR-LIRRHRJNSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736230879 599248513 /nfs/dbraw/zinc/24/85/13/599248513.db2.gz AAIOGAKIJFLGGR-LIRRHRJNSA-N -1 3 379.439 3.548 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000736822051 599248575 /nfs/dbraw/zinc/24/85/75/599248575.db2.gz KVMVADLZWAQMJG-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000736822051 599248576 /nfs/dbraw/zinc/24/85/76/599248576.db2.gz KVMVADLZWAQMJG-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000820379566 599256820 /nfs/dbraw/zinc/25/68/20/599256820.db2.gz DBUPCGBYVWRYGB-ZDUSSCGKSA-N -1 3 397.458 3.733 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000820379566 599256823 /nfs/dbraw/zinc/25/68/23/599256823.db2.gz DBUPCGBYVWRYGB-ZDUSSCGKSA-N -1 3 397.458 3.733 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cccc1-c1nnn[n-]1 ZINC000822091506 607285912 /nfs/dbraw/zinc/28/59/12/607285912.db2.gz RRWYIIHQPMYPEF-OAHLLOKOSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cccc1-c1nn[n-]n1 ZINC000822091506 607285913 /nfs/dbraw/zinc/28/59/13/607285913.db2.gz RRWYIIHQPMYPEF-OAHLLOKOSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822084529 607286301 /nfs/dbraw/zinc/28/63/01/607286301.db2.gz MEBCQLSIEKEOMY-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822084529 607286302 /nfs/dbraw/zinc/28/63/02/607286302.db2.gz MEBCQLSIEKEOMY-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cccc1-c1nnn[n-]1 ZINC000822091100 607287193 /nfs/dbraw/zinc/28/71/93/607287193.db2.gz NVQOVOQIDSHTHN-HNNXBMFYSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cccc1-c1nn[n-]n1 ZINC000822091100 607287194 /nfs/dbraw/zinc/28/71/94/607287194.db2.gz NVQOVOQIDSHTHN-HNNXBMFYSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1c(NC(=O)c2ncoc2-c2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822116056 607296977 /nfs/dbraw/zinc/29/69/77/607296977.db2.gz LQEWMEQAZVKEEX-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)c2ncoc2-c2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822116056 607296978 /nfs/dbraw/zinc/29/69/78/607296978.db2.gz LQEWMEQAZVKEEX-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061556 607297144 /nfs/dbraw/zinc/29/71/44/607297144.db2.gz PYPSNSIMUBJPGF-IBGZPJMESA-N -1 3 377.448 3.814 20 0 GHADHM Cc1c(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061556 607297145 /nfs/dbraw/zinc/29/71/45/607297145.db2.gz PYPSNSIMUBJPGF-IBGZPJMESA-N -1 3 377.448 3.814 20 0 GHADHM CC(C)c1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820192772 607297823 /nfs/dbraw/zinc/29/78/23/607297823.db2.gz YWMDNBILEGQNEF-UHFFFAOYSA-N -1 3 392.463 3.738 20 0 GHADHM CC(C)c1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820192772 607297824 /nfs/dbraw/zinc/29/78/24/607297824.db2.gz YWMDNBILEGQNEF-UHFFFAOYSA-N -1 3 392.463 3.738 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823246449 607297838 /nfs/dbraw/zinc/29/78/38/607297838.db2.gz PPQIQRSGSYDTLP-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823246449 607297839 /nfs/dbraw/zinc/29/78/39/607297839.db2.gz PPQIQRSGSYDTLP-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000823738626 607314674 /nfs/dbraw/zinc/31/46/74/607314674.db2.gz WWIIFKMEADOBBF-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM COc1ccc(CNc2cccc(N3CCCCCC3)c2)cc1-c1nnn[n-]1 ZINC000821821818 607317869 /nfs/dbraw/zinc/31/78/69/607317869.db2.gz YLBNQANKOSERRX-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM COc1ccc(CNc2cccc(N3CCCCCC3)c2)cc1-c1nn[n-]n1 ZINC000821821818 607317870 /nfs/dbraw/zinc/31/78/70/607317870.db2.gz YLBNQANKOSERRX-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000822217823 599273129 /nfs/dbraw/zinc/27/31/29/599273129.db2.gz OYHOANAFNHCTCR-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000822217823 599273131 /nfs/dbraw/zinc/27/31/31/599273131.db2.gz OYHOANAFNHCTCR-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000736488384 599277293 /nfs/dbraw/zinc/27/72/93/599277293.db2.gz QNKNJXHUKBQLPL-AWEZNQCLSA-N -1 3 396.520 3.949 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000821504528 599279435 /nfs/dbraw/zinc/27/94/35/599279435.db2.gz HDQRWQKLCUDJAC-JTQLQIEISA-N -1 3 389.460 3.558 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000821504528 599279437 /nfs/dbraw/zinc/27/94/37/599279437.db2.gz HDQRWQKLCUDJAC-JTQLQIEISA-N -1 3 389.460 3.558 20 0 GHADHM Cc1cccc(OCc2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737409096 599285808 /nfs/dbraw/zinc/28/58/08/599285808.db2.gz ATCKBRZATHKRLZ-CYBMUJFWSA-N -1 3 394.460 3.990 20 0 GHADHM Cc1cccc(OCc2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737409096 599285811 /nfs/dbraw/zinc/28/58/11/599285811.db2.gz ATCKBRZATHKRLZ-CYBMUJFWSA-N -1 3 394.460 3.990 20 0 GHADHM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821610831 599286355 /nfs/dbraw/zinc/28/63/55/599286355.db2.gz HDMHSJIOPLBTSA-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821610831 599286356 /nfs/dbraw/zinc/28/63/56/599286356.db2.gz HDMHSJIOPLBTSA-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193501 599287655 /nfs/dbraw/zinc/28/76/55/599287655.db2.gz RZKWWUTYJHZYTN-NSHDSACASA-N -1 3 381.440 3.655 20 0 GHADHM C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193501 599287658 /nfs/dbraw/zinc/28/76/58/599287658.db2.gz RZKWWUTYJHZYTN-NSHDSACASA-N -1 3 381.440 3.655 20 0 GHADHM COc1cccc(-n2ccnc2S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737120912 599288442 /nfs/dbraw/zinc/28/84/42/599288442.db2.gz JTHXKNPCINIXLM-CYBMUJFWSA-N -1 3 378.461 3.914 20 0 GHADHM COc1cccc(-n2ccnc2S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737120912 599288444 /nfs/dbraw/zinc/28/84/44/599288444.db2.gz JTHXKNPCINIXLM-CYBMUJFWSA-N -1 3 378.461 3.914 20 0 GHADHM Cc1c[nH]c(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)n1 ZINC000822395130 607324350 /nfs/dbraw/zinc/32/43/50/607324350.db2.gz RZHLHEJUHFZFPO-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM Cc1c[nH]c(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)n1 ZINC000822395130 607324351 /nfs/dbraw/zinc/32/43/51/607324351.db2.gz RZHLHEJUHFZFPO-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821461740 599291728 /nfs/dbraw/zinc/29/17/28/599291728.db2.gz SFFQMYBDEZNGSS-VIFPVBQESA-N -1 3 388.419 3.539 20 0 GHADHM CCSCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821461740 599291730 /nfs/dbraw/zinc/29/17/30/599291730.db2.gz SFFQMYBDEZNGSS-VIFPVBQESA-N -1 3 388.419 3.539 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723249 607331416 /nfs/dbraw/zinc/33/14/16/607331416.db2.gz BGNCVESKFWQIJT-GFCCVEGCSA-N -1 3 399.442 3.742 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723249 607331417 /nfs/dbraw/zinc/33/14/17/607331417.db2.gz BGNCVESKFWQIJT-GFCCVEGCSA-N -1 3 399.442 3.742 20 0 GHADHM C[C@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000735973848 598237281 /nfs/dbraw/zinc/23/72/81/598237281.db2.gz HYIRVLIOYZCRHJ-MRXNPFEDSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000735973848 598237283 /nfs/dbraw/zinc/23/72/83/598237283.db2.gz HYIRVLIOYZCRHJ-MRXNPFEDSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC000820766260 607346340 /nfs/dbraw/zinc/34/63/40/607346340.db2.gz AXNADQLOPROUQY-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)O1 ZINC000820766260 607346341 /nfs/dbraw/zinc/34/63/41/607346341.db2.gz AXNADQLOPROUQY-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM CC(C)Cc1ccc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735849789 598273330 /nfs/dbraw/zinc/27/33/30/598273330.db2.gz MNNKKIKXJGTOMD-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM CC(C)Cc1ccc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735849789 598273332 /nfs/dbraw/zinc/27/33/32/598273332.db2.gz MNNKKIKXJGTOMD-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000823690932 607347061 /nfs/dbraw/zinc/34/70/61/607347061.db2.gz YLUSHFRXGHWJQC-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000823690932 607347063 /nfs/dbraw/zinc/34/70/63/607347063.db2.gz YLUSHFRXGHWJQC-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1cc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(C)s1 ZINC000737243915 598278822 /nfs/dbraw/zinc/27/88/22/598278822.db2.gz CMQCMDQDSOMRQC-NSHDSACASA-N -1 3 387.513 3.984 20 0 GHADHM Cc1cc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(C)s1 ZINC000737243915 598278823 /nfs/dbraw/zinc/27/88/23/598278823.db2.gz CMQCMDQDSOMRQC-NSHDSACASA-N -1 3 387.513 3.984 20 0 GHADHM CN(C(=O)CCc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731447 598279562 /nfs/dbraw/zinc/27/95/62/598279562.db2.gz CYKJUUFMXNZYSX-UHFFFAOYSA-N -1 3 375.407 3.755 20 0 GHADHM CN(C(=O)CCc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731447 598279564 /nfs/dbraw/zinc/27/95/64/598279564.db2.gz CYKJUUFMXNZYSX-UHFFFAOYSA-N -1 3 375.407 3.755 20 0 GHADHM C[C@H](Sc1cc(F)ccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736193697 598295381 /nfs/dbraw/zinc/29/53/81/598295381.db2.gz RUJUMFJACLUHKS-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1cc(F)ccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736193697 598295384 /nfs/dbraw/zinc/29/53/84/598295384.db2.gz RUJUMFJACLUHKS-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(-c2ccsc2)nc1C ZINC000737023168 598295938 /nfs/dbraw/zinc/29/59/38/598295938.db2.gz CYPJPFADPRQXPN-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(-c2ccsc2)nc1C ZINC000737023168 598295940 /nfs/dbraw/zinc/29/59/40/598295940.db2.gz CYPJPFADPRQXPN-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000737963071 598297590 /nfs/dbraw/zinc/29/75/90/598297590.db2.gz RHBVBTLEBJDTBE-UHFFFAOYSA-N -1 3 381.439 3.619 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000737963071 598297591 /nfs/dbraw/zinc/29/75/91/598297591.db2.gz RHBVBTLEBJDTBE-UHFFFAOYSA-N -1 3 381.439 3.619 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735648216 598301355 /nfs/dbraw/zinc/30/13/55/598301355.db2.gz AIKUYOKLZCHEER-WDZFZDKYSA-N -1 3 379.439 3.633 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735648216 598301357 /nfs/dbraw/zinc/30/13/57/598301357.db2.gz AIKUYOKLZCHEER-WDZFZDKYSA-N -1 3 379.439 3.633 20 0 GHADHM CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736746648 598309891 /nfs/dbraw/zinc/30/98/91/598309891.db2.gz AFCULUIXKMSTDD-UHFFFAOYSA-N -1 3 381.342 3.682 20 0 GHADHM CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736746648 598309893 /nfs/dbraw/zinc/30/98/93/598309893.db2.gz AFCULUIXKMSTDD-UHFFFAOYSA-N -1 3 381.342 3.682 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccccc1OCc1ccccc1 ZINC000737639839 598316120 /nfs/dbraw/zinc/31/61/20/598316120.db2.gz UBOKBOLGQNDHCW-UHFFFAOYSA-N -1 3 389.434 3.875 20 0 GHADHM CC(C)(CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000735670409 598318150 /nfs/dbraw/zinc/31/81/50/598318150.db2.gz PAOUXIFTIPBMPV-UHFFFAOYSA-N -1 3 386.912 3.784 20 0 GHADHM CC(C)(CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000735670409 598318152 /nfs/dbraw/zinc/31/81/52/598318152.db2.gz PAOUXIFTIPBMPV-UHFFFAOYSA-N -1 3 386.912 3.784 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC000738406118 598318516 /nfs/dbraw/zinc/31/85/16/598318516.db2.gz BAKCRWGOCOIZNN-INIZCTEOSA-N -1 3 384.896 3.884 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC000738406118 598318518 /nfs/dbraw/zinc/31/85/18/598318518.db2.gz BAKCRWGOCOIZNN-INIZCTEOSA-N -1 3 384.896 3.884 20 0 GHADHM COc1c(C)ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737025222 598318799 /nfs/dbraw/zinc/31/87/99/598318799.db2.gz XNFGYANFBPOHEZ-UHFFFAOYSA-N -1 3 388.884 3.954 20 0 GHADHM COc1c(C)ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737025222 598318801 /nfs/dbraw/zinc/31/88/01/598318801.db2.gz XNFGYANFBPOHEZ-UHFFFAOYSA-N -1 3 388.884 3.954 20 0 GHADHM CN(CCCc1ccccc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736798305 598320618 /nfs/dbraw/zinc/32/06/18/598320618.db2.gz UIVANPMSVIUFES-UHFFFAOYSA-N -1 3 386.912 3.782 20 0 GHADHM CN(CCCc1ccccc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736798305 598320620 /nfs/dbraw/zinc/32/06/20/598320620.db2.gz UIVANPMSVIUFES-UHFFFAOYSA-N -1 3 386.912 3.782 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736170194 598360003 /nfs/dbraw/zinc/36/00/03/598360003.db2.gz OLAMHISBZAREGQ-STQMWFEESA-N -1 3 393.472 3.726 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737146654 598370095 /nfs/dbraw/zinc/37/00/95/598370095.db2.gz ISDZIXDRBQRTDW-KRWDZBQOSA-N -1 3 378.436 3.634 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737146654 598370097 /nfs/dbraw/zinc/37/00/97/598370097.db2.gz ISDZIXDRBQRTDW-KRWDZBQOSA-N -1 3 378.436 3.634 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Oc1ccc2oc3ccccc3c2c1 ZINC000737898293 598382240 /nfs/dbraw/zinc/38/22/40/598382240.db2.gz HRHKRLPWFRYGFK-UHFFFAOYSA-N -1 3 385.383 3.784 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000736137207 598389192 /nfs/dbraw/zinc/38/91/92/598389192.db2.gz KSZSPFVCPAKRGL-QMMMGPOBSA-N -1 3 384.749 3.987 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000736137207 598389194 /nfs/dbraw/zinc/38/91/94/598389194.db2.gz KSZSPFVCPAKRGL-QMMMGPOBSA-N -1 3 384.749 3.987 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737121443 598389236 /nfs/dbraw/zinc/38/92/36/598389236.db2.gz YSNIFHWRRICANF-GFCCVEGCSA-N -1 3 392.419 3.813 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737121443 598389238 /nfs/dbraw/zinc/38/92/38/598389238.db2.gz YSNIFHWRRICANF-GFCCVEGCSA-N -1 3 392.419 3.813 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cccc(COCc2ccco2)c1 ZINC000737557039 598390044 /nfs/dbraw/zinc/39/00/44/598390044.db2.gz AZZMOZLKGCPTSJ-UHFFFAOYSA-N -1 3 396.838 3.837 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cccc(COCc2ccco2)c1 ZINC000737557039 598390046 /nfs/dbraw/zinc/39/00/46/598390046.db2.gz AZZMOZLKGCPTSJ-UHFFFAOYSA-N -1 3 396.838 3.837 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccnc(Oc2ccccc2)c1 ZINC000737558160 598390491 /nfs/dbraw/zinc/39/04/91/598390491.db2.gz LJCRKPSNYQYDHP-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccnc(Oc2ccccc2)c1 ZINC000737558160 598390492 /nfs/dbraw/zinc/39/04/92/598390492.db2.gz LJCRKPSNYQYDHP-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735873576 598391705 /nfs/dbraw/zinc/39/17/05/598391705.db2.gz CJPZWBOUIQMTGS-LJQANCHMSA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735873576 598391706 /nfs/dbraw/zinc/39/17/06/598391706.db2.gz CJPZWBOUIQMTGS-LJQANCHMSA-N -1 3 394.454 3.613 20 0 GHADHM Cc1ccc(C)c(OC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000737326591 598392296 /nfs/dbraw/zinc/39/22/96/598392296.db2.gz QMANGUUTHSQKOX-UHFFFAOYSA-N -1 3 384.871 3.580 20 0 GHADHM Cc1ccc(C)c(OC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000737326591 598392297 /nfs/dbraw/zinc/39/22/97/598392297.db2.gz QMANGUUTHSQKOX-UHFFFAOYSA-N -1 3 384.871 3.580 20 0 GHADHM CN(CC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736789092 598412977 /nfs/dbraw/zinc/41/29/77/598412977.db2.gz VHSUSMRPWIUFNY-UHFFFAOYSA-N -1 3 381.440 3.564 20 0 GHADHM CN(CC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736789092 598412978 /nfs/dbraw/zinc/41/29/78/598412978.db2.gz VHSUSMRPWIUFNY-UHFFFAOYSA-N -1 3 381.440 3.564 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)Nc1ccc(Cl)nc1 ZINC000735873518 598416721 /nfs/dbraw/zinc/41/67/21/598416721.db2.gz GEDXXPAFWQROHU-UHFFFAOYSA-N -1 3 387.900 3.523 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)Nc1ccc(Cl)nc1 ZINC000735873518 598416722 /nfs/dbraw/zinc/41/67/22/598416722.db2.gz GEDXXPAFWQROHU-UHFFFAOYSA-N -1 3 387.900 3.523 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(Cl)nc1 ZINC000735907263 598416785 /nfs/dbraw/zinc/41/67/85/598416785.db2.gz ZTXNZBBLGLCBKL-UHFFFAOYSA-N -1 3 389.872 3.511 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(Cl)nc1 ZINC000735907263 598416786 /nfs/dbraw/zinc/41/67/86/598416786.db2.gz ZTXNZBBLGLCBKL-UHFFFAOYSA-N -1 3 389.872 3.511 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000520352267 598420412 /nfs/dbraw/zinc/42/04/12/598420412.db2.gz QKUAYMFUVJCIJH-HUUCEWRRSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000520352267 598420413 /nfs/dbraw/zinc/42/04/13/598420413.db2.gz QKUAYMFUVJCIJH-HUUCEWRRSA-N -1 3 388.258 3.593 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000736646390 598426200 /nfs/dbraw/zinc/42/62/00/598426200.db2.gz FZTSDYYVDLBGFN-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000736646390 598426201 /nfs/dbraw/zinc/42/62/01/598426201.db2.gz FZTSDYYVDLBGFN-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000735873212 598427085 /nfs/dbraw/zinc/42/70/85/598427085.db2.gz CKBALTCSGCHBRD-UHFFFAOYSA-N -1 3 398.898 3.683 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000735873212 598427086 /nfs/dbraw/zinc/42/70/86/598427086.db2.gz CKBALTCSGCHBRD-UHFFFAOYSA-N -1 3 398.898 3.683 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1ccccc1-c1nnn[n-]1 ZINC000737860820 598431907 /nfs/dbraw/zinc/43/19/07/598431907.db2.gz WFFLEZLLSBGODF-UHFFFAOYSA-N -1 3 399.863 3.806 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1ccccc1-c1nn[n-]n1 ZINC000737860820 598431908 /nfs/dbraw/zinc/43/19/08/598431908.db2.gz WFFLEZLLSBGODF-UHFFFAOYSA-N -1 3 399.863 3.806 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2s1 ZINC000736115947 598432553 /nfs/dbraw/zinc/43/25/53/598432553.db2.gz BQWFGOWHFDTJQX-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000736115947 598432555 /nfs/dbraw/zinc/43/25/55/598432555.db2.gz BQWFGOWHFDTJQX-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM C[C@H](CN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736000584 598441391 /nfs/dbraw/zinc/44/13/91/598441391.db2.gz KZWZOXDSLIRWBA-GFCCVEGCSA-N -1 3 386.912 3.952 20 0 GHADHM C[C@H](CN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736000584 598441393 /nfs/dbraw/zinc/44/13/93/598441393.db2.gz KZWZOXDSLIRWBA-GFCCVEGCSA-N -1 3 386.912 3.952 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736204871 598442674 /nfs/dbraw/zinc/44/26/74/598442674.db2.gz WQZNTMCBNUHNPS-AWEZNQCLSA-N -1 3 390.472 3.727 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736204871 598442675 /nfs/dbraw/zinc/44/26/75/598442675.db2.gz WQZNTMCBNUHNPS-AWEZNQCLSA-N -1 3 390.472 3.727 20 0 GHADHM COc1ccc([C@@H](C)C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737072152 598442982 /nfs/dbraw/zinc/44/29/82/598442982.db2.gz JXOAXSDQTHDXKN-OAHLLOKOSA-N -1 3 379.464 3.668 20 0 GHADHM COc1ccc([C@@H](C)C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737072152 598442984 /nfs/dbraw/zinc/44/29/84/598442984.db2.gz JXOAXSDQTHDXKN-OAHLLOKOSA-N -1 3 379.464 3.668 20 0 GHADHM CCS[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)C ZINC000736668172 598444368 /nfs/dbraw/zinc/44/43/68/598444368.db2.gz YIKVYCCNTHKHKF-QGZVFWFLSA-N -1 3 398.492 3.770 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000735992445 598445301 /nfs/dbraw/zinc/44/53/01/598445301.db2.gz GMPXEJFAZATOKK-OXJNMPFZSA-N -1 3 393.491 3.532 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000735992445 598445303 /nfs/dbraw/zinc/44/53/03/598445303.db2.gz GMPXEJFAZATOKK-OXJNMPFZSA-N -1 3 393.491 3.532 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000735992446 598445366 /nfs/dbraw/zinc/44/53/66/598445366.db2.gz GMPXEJFAZATOKK-OXQOHEQNSA-N -1 3 393.491 3.532 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000735992446 598445368 /nfs/dbraw/zinc/44/53/68/598445368.db2.gz GMPXEJFAZATOKK-OXQOHEQNSA-N -1 3 393.491 3.532 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000737640103 598458039 /nfs/dbraw/zinc/45/80/39/598458039.db2.gz JQHCMLQOKODWIH-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM Clc1ccc(-c2nc(CNCc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737565655 598465810 /nfs/dbraw/zinc/46/58/10/598465810.db2.gz NTMAIKGAZHZDKD-UHFFFAOYSA-N -1 3 382.880 3.933 20 0 GHADHM Cc1nc([C@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)cs1 ZINC000737471146 598469136 /nfs/dbraw/zinc/46/91/36/598469136.db2.gz PNOWXKZKKQREIP-NSHDSACASA-N -1 3 390.476 3.914 20 0 GHADHM Cc1nc([C@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)cs1 ZINC000737471146 598469137 /nfs/dbraw/zinc/46/91/37/598469137.db2.gz PNOWXKZKKQREIP-NSHDSACASA-N -1 3 390.476 3.914 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000737289022 598485366 /nfs/dbraw/zinc/48/53/66/598485366.db2.gz RWNVDCMRDVOFQX-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000737289022 598485368 /nfs/dbraw/zinc/48/53/68/598485368.db2.gz RWNVDCMRDVOFQX-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000735654542 598488731 /nfs/dbraw/zinc/48/87/31/598488731.db2.gz FSZZMXHKHXRCHA-ALCCZGGFSA-N -1 3 376.873 3.790 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000735654542 598488732 /nfs/dbraw/zinc/48/87/32/598488732.db2.gz FSZZMXHKHXRCHA-ALCCZGGFSA-N -1 3 376.873 3.790 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000735830040 598494832 /nfs/dbraw/zinc/49/48/32/598494832.db2.gz ARTXUPXIZOFKGS-UHFFFAOYSA-N -1 3 383.883 3.747 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000735830040 598494834 /nfs/dbraw/zinc/49/48/34/598494834.db2.gz ARTXUPXIZOFKGS-UHFFFAOYSA-N -1 3 383.883 3.747 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cc(-c4nnn[n-]4)ccc3F)n2)cc1 ZINC000737650307 598512022 /nfs/dbraw/zinc/51/20/22/598512022.db2.gz OIKGJJIXWODAQK-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cc(-c4nn[n-]n4)ccc3F)n2)cc1 ZINC000737650307 598512024 /nfs/dbraw/zinc/51/20/24/598512024.db2.gz OIKGJJIXWODAQK-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2C2CCCCC2)c1-c1nnn[n-]1 ZINC000736675826 598516416 /nfs/dbraw/zinc/51/64/16/598516416.db2.gz PHKHSPADSMSUQF-UHFFFAOYSA-N -1 3 399.524 3.833 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2C2CCCCC2)c1-c1nn[n-]n1 ZINC000736675826 598516418 /nfs/dbraw/zinc/51/64/18/598516418.db2.gz PHKHSPADSMSUQF-UHFFFAOYSA-N -1 3 399.524 3.833 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735639435 598519128 /nfs/dbraw/zinc/51/91/28/598519128.db2.gz HESFFYYQTRXQMD-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735639435 598519129 /nfs/dbraw/zinc/51/91/29/598519129.db2.gz HESFFYYQTRXQMD-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796536 598519258 /nfs/dbraw/zinc/51/92/58/598519258.db2.gz DCRJIMYBQBPYGX-FUHWJXTLSA-N -1 3 387.553 3.821 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796536 598519259 /nfs/dbraw/zinc/51/92/59/598519259.db2.gz DCRJIMYBQBPYGX-FUHWJXTLSA-N -1 3 387.553 3.821 20 0 GHADHM O=C(COC(=O)c1sc2ccccc2c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826416602 607359792 /nfs/dbraw/zinc/35/97/92/607359792.db2.gz HJMJWDPCCZKHMY-UHFFFAOYSA-N -1 3 398.831 3.775 20 0 GHADHM O=C(COC(=O)c1sc2ccccc2c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826416602 607359794 /nfs/dbraw/zinc/35/97/94/607359794.db2.gz HJMJWDPCCZKHMY-UHFFFAOYSA-N -1 3 398.831 3.775 20 0 GHADHM CC(C)CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000735796349 598538643 /nfs/dbraw/zinc/53/86/43/598538643.db2.gz AKCIFWMXLKVJKA-UHFFFAOYSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735827213 598540224 /nfs/dbraw/zinc/54/02/24/598540224.db2.gz JLMPHYVDUYBBRZ-UHFFFAOYSA-N -1 3 397.479 3.793 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)cc2c1 ZINC000737374216 598545410 /nfs/dbraw/zinc/54/54/10/598545410.db2.gz LXISNWOALULWNZ-UHFFFAOYSA-N -1 3 385.330 3.775 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)cc2c1 ZINC000737374216 598545411 /nfs/dbraw/zinc/54/54/11/598545411.db2.gz LXISNWOALULWNZ-UHFFFAOYSA-N -1 3 385.330 3.775 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2ccccc2s1 ZINC000738146831 598547508 /nfs/dbraw/zinc/54/75/08/598547508.db2.gz RURJKNBRACEMTC-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2ccccc2s1 ZINC000738146831 598547510 /nfs/dbraw/zinc/54/75/10/598547510.db2.gz RURJKNBRACEMTC-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM O=C(CCc1cscn1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737860941 598555611 /nfs/dbraw/zinc/55/56/11/598555611.db2.gz PBDJRKTVCIGWMG-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(CCc1cscn1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737860941 598555613 /nfs/dbraw/zinc/55/56/13/598555613.db2.gz PBDJRKTVCIGWMG-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737826096 598555647 /nfs/dbraw/zinc/55/56/47/598555647.db2.gz PHFSYPWWVBFNMW-INIZCTEOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737826096 598555648 /nfs/dbraw/zinc/55/56/48/598555648.db2.gz PHFSYPWWVBFNMW-INIZCTEOSA-N -1 3 379.420 3.557 20 0 GHADHM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000736532424 598574940 /nfs/dbraw/zinc/57/49/40/598574940.db2.gz RDCPTKJDYIMPDE-UHFFFAOYSA-N -1 3 391.401 3.739 20 0 GHADHM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000736532424 598574942 /nfs/dbraw/zinc/57/49/42/598574942.db2.gz RDCPTKJDYIMPDE-UHFFFAOYSA-N -1 3 391.401 3.739 20 0 GHADHM c1csc(-c2cnc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)o2)c1 ZINC000738447874 598581816 /nfs/dbraw/zinc/58/18/16/598581816.db2.gz JQWMOWFULNTGQC-UHFFFAOYSA-N -1 3 378.461 3.748 20 0 GHADHM c1csc(-c2cnc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)o2)c1 ZINC000738447874 598581817 /nfs/dbraw/zinc/58/18/17/598581817.db2.gz JQWMOWFULNTGQC-UHFFFAOYSA-N -1 3 378.461 3.748 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCOc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736277586 598582235 /nfs/dbraw/zinc/58/22/35/598582235.db2.gz AGLPTAQVRQVUGT-AAEUAGOBSA-N -1 3 395.488 3.558 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCOc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736277586 598582237 /nfs/dbraw/zinc/58/22/37/598582237.db2.gz AGLPTAQVRQVUGT-AAEUAGOBSA-N -1 3 395.488 3.558 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2F)s1 ZINC000738165033 598585424 /nfs/dbraw/zinc/58/54/24/598585424.db2.gz CPGPYMMOZYREEW-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2F)s1 ZINC000738165033 598585426 /nfs/dbraw/zinc/58/54/26/598585426.db2.gz CPGPYMMOZYREEW-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000738165603 598589838 /nfs/dbraw/zinc/58/98/38/598589838.db2.gz KCFYTDFFFNQCLS-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000738165603 598589840 /nfs/dbraw/zinc/58/98/40/598589840.db2.gz KCFYTDFFFNQCLS-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OCC ZINC000736463992 598599202 /nfs/dbraw/zinc/59/92/02/598599202.db2.gz VDPLRLGJVINZQQ-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1OCC ZINC000736463992 598599205 /nfs/dbraw/zinc/59/92/05/598599205.db2.gz VDPLRLGJVINZQQ-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(Sc2ccccc2)CC1 ZINC000737293989 598599575 /nfs/dbraw/zinc/59/95/75/598599575.db2.gz JCGBTYCCKOOPLK-UHFFFAOYSA-N -1 3 380.477 3.622 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(Sc2ccccc2)CC1 ZINC000737293989 598599577 /nfs/dbraw/zinc/59/95/77/598599577.db2.gz JCGBTYCCKOOPLK-UHFFFAOYSA-N -1 3 380.477 3.622 20 0 GHADHM c1ccc(OCc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cn4)n3)cc2)cc1 ZINC000738436136 598611889 /nfs/dbraw/zinc/61/18/89/598611889.db2.gz QKLBYXXOJMHJGW-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(OCc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cn4)n3)cc2)cc1 ZINC000738436136 598611891 /nfs/dbraw/zinc/61/18/91/598611891.db2.gz QKLBYXXOJMHJGW-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SC2Cc3ccccc3C2)n1 ZINC000737246479 598614270 /nfs/dbraw/zinc/61/42/70/598614270.db2.gz VBDLTZCBUHFSGW-UHFFFAOYSA-N -1 3 377.395 3.848 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000736236799 598624402 /nfs/dbraw/zinc/62/44/02/598624402.db2.gz LCVUNVYUUMUENE-XHDPSFHLSA-N -1 3 396.426 3.919 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000736236799 598624404 /nfs/dbraw/zinc/62/44/04/598624404.db2.gz LCVUNVYUUMUENE-XHDPSFHLSA-N -1 3 396.426 3.919 20 0 GHADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738085696 598628194 /nfs/dbraw/zinc/62/81/94/598628194.db2.gz LMDXDYWFTMESKY-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738085696 598628196 /nfs/dbraw/zinc/62/81/96/598628196.db2.gz LMDXDYWFTMESKY-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM CSc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737193160 598644719 /nfs/dbraw/zinc/64/47/19/598644719.db2.gz YCYGVOSOVZPNEJ-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM CSc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737193160 598644722 /nfs/dbraw/zinc/64/47/22/598644722.db2.gz YCYGVOSOVZPNEJ-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM O=C(Nc1ccc(F)cc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738166886 598645748 /nfs/dbraw/zinc/64/57/48/598645748.db2.gz YOVDQCYXJAISRD-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(F)cc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738166886 598645750 /nfs/dbraw/zinc/64/57/50/598645750.db2.gz YOVDQCYXJAISRD-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000737942362 598646198 /nfs/dbraw/zinc/64/61/98/598646198.db2.gz YUXYIKLJLKWQPM-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000737942362 598646200 /nfs/dbraw/zinc/64/62/00/598646200.db2.gz YUXYIKLJLKWQPM-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736267719 598647538 /nfs/dbraw/zinc/64/75/38/598647538.db2.gz CHVRNVOSAIZACK-AUUYWEPGSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736267719 598647540 /nfs/dbraw/zinc/64/75/40/598647540.db2.gz CHVRNVOSAIZACK-AUUYWEPGSA-N -1 3 377.448 3.968 20 0 GHADHM CC(C)c1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735925029 598648854 /nfs/dbraw/zinc/64/88/54/598648854.db2.gz WHSDYSRWWOLUGJ-UHFFFAOYSA-N -1 3 393.491 3.856 20 0 GHADHM CC(C)c1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735925029 598648856 /nfs/dbraw/zinc/64/88/56/598648856.db2.gz WHSDYSRWWOLUGJ-UHFFFAOYSA-N -1 3 393.491 3.856 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cscn1 ZINC000737271622 598652599 /nfs/dbraw/zinc/65/25/99/598652599.db2.gz XCPRNTBSBNCUQL-UHFFFAOYSA-N -1 3 394.435 3.618 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cscn1 ZINC000737271622 598652601 /nfs/dbraw/zinc/65/26/01/598652601.db2.gz XCPRNTBSBNCUQL-UHFFFAOYSA-N -1 3 394.435 3.618 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000737944170 598652715 /nfs/dbraw/zinc/65/27/15/598652715.db2.gz WJVVWNVRPVDDJI-KRWDZBQOSA-N -1 3 399.907 3.976 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000737944170 598652717 /nfs/dbraw/zinc/65/27/17/598652717.db2.gz WJVVWNVRPVDDJI-KRWDZBQOSA-N -1 3 399.907 3.976 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735913744 598653252 /nfs/dbraw/zinc/65/32/52/598653252.db2.gz PRMOZNODPDEKCS-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735913744 598653253 /nfs/dbraw/zinc/65/32/53/598653253.db2.gz PRMOZNODPDEKCS-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CCCn1nccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736502580 598653553 /nfs/dbraw/zinc/65/35/53/598653553.db2.gz OEJHJFVFNAWZSM-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC1CCCCCCC1 ZINC000737832745 598654155 /nfs/dbraw/zinc/65/41/55/598654155.db2.gz LCKRHEDSQRKKGO-UHFFFAOYSA-N -1 3 385.512 3.893 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC1CCCCCCC1 ZINC000737832745 598654156 /nfs/dbraw/zinc/65/41/56/598654156.db2.gz LCKRHEDSQRKKGO-UHFFFAOYSA-N -1 3 385.512 3.893 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000736636115 598654390 /nfs/dbraw/zinc/65/43/90/598654390.db2.gz OCYRHABUKJFVOI-CYBMUJFWSA-N -1 3 383.477 3.632 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000736636115 598654392 /nfs/dbraw/zinc/65/43/92/598654392.db2.gz OCYRHABUKJFVOI-CYBMUJFWSA-N -1 3 383.477 3.632 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735976332 598656242 /nfs/dbraw/zinc/65/62/42/598656242.db2.gz LSFFLWHSQHCRPA-HNNXBMFYSA-N -1 3 395.532 3.831 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735976332 598656243 /nfs/dbraw/zinc/65/62/43/598656243.db2.gz LSFFLWHSQHCRPA-HNNXBMFYSA-N -1 3 395.532 3.831 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736268534 598656866 /nfs/dbraw/zinc/65/68/66/598656866.db2.gz XUJNOCIHBOEWTK-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736268534 598656868 /nfs/dbraw/zinc/65/68/68/598656868.db2.gz XUJNOCIHBOEWTK-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM O=C(N[C@@H]1COc2ccccc21)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738035066 598657713 /nfs/dbraw/zinc/65/77/13/598657713.db2.gz ISQPHGBKEIJLHR-LJQANCHMSA-N -1 3 399.410 3.523 20 0 GHADHM O=C(N[C@@H]1COc2ccccc21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738035066 598657715 /nfs/dbraw/zinc/65/77/15/598657715.db2.gz ISQPHGBKEIJLHR-LJQANCHMSA-N -1 3 399.410 3.523 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)CC1CCC1 ZINC000737942648 598657818 /nfs/dbraw/zinc/65/78/18/598657818.db2.gz MNXQDXUSBHRZAW-UHFFFAOYSA-N -1 3 393.516 3.788 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)CC1CCC1 ZINC000737942648 598657820 /nfs/dbraw/zinc/65/78/20/598657820.db2.gz MNXQDXUSBHRZAW-UHFFFAOYSA-N -1 3 393.516 3.788 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738046750 598657924 /nfs/dbraw/zinc/65/79/24/598657924.db2.gz XOOGTXQRKKQVIR-OAHLLOKOSA-N -1 3 375.432 3.745 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738046750 598657927 /nfs/dbraw/zinc/65/79/27/598657927.db2.gz XOOGTXQRKKQVIR-OAHLLOKOSA-N -1 3 375.432 3.745 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736122363 598662480 /nfs/dbraw/zinc/66/24/80/598662480.db2.gz IXNOJUFZWZXQHD-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2sc3ccccc3c2s1 ZINC000738152607 598664191 /nfs/dbraw/zinc/66/41/91/598664191.db2.gz YHVXDLQMXIWAMH-UHFFFAOYSA-N -1 3 378.442 3.943 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2sc3ccccc3c2s1 ZINC000738152607 598664192 /nfs/dbraw/zinc/66/41/92/598664192.db2.gz YHVXDLQMXIWAMH-UHFFFAOYSA-N -1 3 378.442 3.943 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000736134269 598664640 /nfs/dbraw/zinc/66/46/40/598664640.db2.gz AJBFRQDCCVNIEK-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000736134269 598664642 /nfs/dbraw/zinc/66/46/42/598664642.db2.gz AJBFRQDCCVNIEK-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM Clc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737576467 598665676 /nfs/dbraw/zinc/66/56/76/598665676.db2.gz RJAVJWPQJOHNLV-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM Clc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737576467 598665678 /nfs/dbraw/zinc/66/56/78/598665678.db2.gz RJAVJWPQJOHNLV-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@H](c4ccco4)C3)c2c1 ZINC000737640069 598677004 /nfs/dbraw/zinc/67/70/04/598677004.db2.gz ZDGBYYJFTDATSI-NSHDSACASA-N -1 3 398.373 3.603 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@H](c4ccco4)C3)c2c1 ZINC000737640069 598677006 /nfs/dbraw/zinc/67/70/06/598677006.db2.gz ZDGBYYJFTDATSI-NSHDSACASA-N -1 3 398.373 3.603 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736180449 598709055 /nfs/dbraw/zinc/70/90/55/598709055.db2.gz IUFIKPGLFMYINV-ZDUSSCGKSA-N -1 3 384.411 3.640 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736180449 598709056 /nfs/dbraw/zinc/70/90/56/598709056.db2.gz IUFIKPGLFMYINV-ZDUSSCGKSA-N -1 3 384.411 3.640 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000737947473 598715713 /nfs/dbraw/zinc/71/57/13/598715713.db2.gz LIJCMUXUNHHFIU-UHFFFAOYSA-N -1 3 394.378 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000737947473 598715714 /nfs/dbraw/zinc/71/57/14/598715714.db2.gz LIJCMUXUNHHFIU-UHFFFAOYSA-N -1 3 394.378 3.721 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(CCc1ccccc1)C1CC1 ZINC000738146336 598724943 /nfs/dbraw/zinc/72/49/43/598724943.db2.gz WQOMUXUOTMUMPY-UHFFFAOYSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(CCc1ccccc1)C1CC1 ZINC000738146336 598724944 /nfs/dbraw/zinc/72/49/44/598724944.db2.gz WQOMUXUOTMUMPY-UHFFFAOYSA-N -1 3 382.855 3.759 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000737291225 598725538 /nfs/dbraw/zinc/72/55/38/598725538.db2.gz JHQVFCCIKPTTKE-SFHVURJKSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000737291225 598725539 /nfs/dbraw/zinc/72/55/39/598725539.db2.gz JHQVFCCIKPTTKE-SFHVURJKSA-N -1 3 376.464 3.804 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000735907274 598728940 /nfs/dbraw/zinc/72/89/40/598728940.db2.gz ZXPKHZPRSJEHNK-DJJJIMSYSA-N -1 3 392.463 3.709 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000735907274 598728941 /nfs/dbraw/zinc/72/89/41/598728941.db2.gz ZXPKHZPRSJEHNK-DJJJIMSYSA-N -1 3 392.463 3.709 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737292563 598729955 /nfs/dbraw/zinc/72/99/55/598729955.db2.gz VILNIPMEXUHMSK-OAHLLOKOSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737292563 598729957 /nfs/dbraw/zinc/72/99/57/598729957.db2.gz VILNIPMEXUHMSK-OAHLLOKOSA-N -1 3 382.855 3.850 20 0 GHADHM C[C@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736056694 598735168 /nfs/dbraw/zinc/73/51/68/598735168.db2.gz CQWVZGIBGPPLTA-MRXNPFEDSA-N -1 3 380.448 3.590 20 0 GHADHM C[C@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736056694 598735169 /nfs/dbraw/zinc/73/51/69/598735169.db2.gz CQWVZGIBGPPLTA-MRXNPFEDSA-N -1 3 380.448 3.590 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736668430 598745743 /nfs/dbraw/zinc/74/57/43/598745743.db2.gz YZVOUHSNFPLNFL-QLKUMGTLSA-N -1 3 379.489 3.869 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736668430 598745744 /nfs/dbraw/zinc/74/57/44/598745744.db2.gz YZVOUHSNFPLNFL-QLKUMGTLSA-N -1 3 379.489 3.869 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(-c4nnn[n-]4)c3)sc2C)s1 ZINC000737289804 598748866 /nfs/dbraw/zinc/74/88/66/598748866.db2.gz XDEJVQJUOHDKJD-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(-c4nn[n-]n4)c3)sc2C)s1 ZINC000737289804 598748868 /nfs/dbraw/zinc/74/88/68/598748868.db2.gz XDEJVQJUOHDKJD-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1cccc2c1CCN(c1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)C2 ZINC000737408596 598772149 /nfs/dbraw/zinc/77/21/49/598772149.db2.gz KEZZSLRHRRXJEZ-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM Cc1cccc2c1CCN(c1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)C2 ZINC000737408596 598772151 /nfs/dbraw/zinc/77/21/51/598772151.db2.gz KEZZSLRHRRXJEZ-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM Fc1cc(F)cc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000737648662 598772277 /nfs/dbraw/zinc/77/22/77/598772277.db2.gz BEQKJAIMBKDCBR-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM Fc1cc(F)cc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000737648662 598772279 /nfs/dbraw/zinc/77/22/79/598772279.db2.gz BEQKJAIMBKDCBR-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM CCN(C(=O)c1cc2nc(C)ccc2o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504664 598790043 /nfs/dbraw/zinc/79/00/43/598790043.db2.gz CNWWFWLNNAAQJM-ZDUSSCGKSA-N -1 3 376.420 3.540 20 0 GHADHM CCN(C(=O)c1cc2nc(C)ccc2o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504664 598790044 /nfs/dbraw/zinc/79/00/44/598790044.db2.gz CNWWFWLNNAAQJM-ZDUSSCGKSA-N -1 3 376.420 3.540 20 0 GHADHM O=C(C1CCSCC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737793469 598790402 /nfs/dbraw/zinc/79/04/02/598790402.db2.gz XAEZEQTZTPWYHC-UHFFFAOYSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(C1CCSCC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737793469 598790403 /nfs/dbraw/zinc/79/04/03/598790403.db2.gz XAEZEQTZTPWYHC-UHFFFAOYSA-N -1 3 379.489 3.543 20 0 GHADHM CSc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189911 598791344 /nfs/dbraw/zinc/79/13/44/598791344.db2.gz HSVRWHBMKDNIPS-UHFFFAOYSA-N -1 3 397.504 3.801 20 0 GHADHM CSc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189911 598791346 /nfs/dbraw/zinc/79/13/46/598791346.db2.gz HSVRWHBMKDNIPS-UHFFFAOYSA-N -1 3 397.504 3.801 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111324 598799961 /nfs/dbraw/zinc/79/99/61/598799961.db2.gz DBVXDBMMRFVFAB-BFUOFWGJSA-N -1 3 394.454 3.907 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111324 598799962 /nfs/dbraw/zinc/79/99/62/598799962.db2.gz DBVXDBMMRFVFAB-BFUOFWGJSA-N -1 3 394.454 3.907 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000736815412 598800618 /nfs/dbraw/zinc/80/06/18/598800618.db2.gz ZBKXMFOAELCGDW-IBGZPJMESA-N -1 3 394.454 3.689 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000736815412 598800619 /nfs/dbraw/zinc/80/06/19/598800619.db2.gz ZBKXMFOAELCGDW-IBGZPJMESA-N -1 3 394.454 3.689 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736269538 598803638 /nfs/dbraw/zinc/80/36/38/598803638.db2.gz HFGKJNGKXXKKBR-BEFAXECRSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736269538 598803639 /nfs/dbraw/zinc/80/36/39/598803639.db2.gz HFGKJNGKXXKKBR-BEFAXECRSA-N -1 3 395.463 3.588 20 0 GHADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737799771 598803956 /nfs/dbraw/zinc/80/39/56/598803956.db2.gz WNIRSNJDLKRKJH-YFHOEESVSA-N -1 3 392.419 3.781 20 0 GHADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737799771 598803957 /nfs/dbraw/zinc/80/39/57/598803957.db2.gz WNIRSNJDLKRKJH-YFHOEESVSA-N -1 3 392.419 3.781 20 0 GHADHM Brc1ccc2ncnc(Sc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000735368978 598814704 /nfs/dbraw/zinc/81/47/04/598814704.db2.gz QYASRRSIUMQRSE-UHFFFAOYSA-N -1 3 385.250 3.724 20 0 GHADHM Brc1ccc2ncnc(Sc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000735368978 598814706 /nfs/dbraw/zinc/81/47/06/598814706.db2.gz QYASRRSIUMQRSE-UHFFFAOYSA-N -1 3 385.250 3.724 20 0 GHADHM Cc1sc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)c(-c2nnn[n-]2)c1C ZINC000737562549 598822159 /nfs/dbraw/zinc/82/21/59/598822159.db2.gz JTMXPZBLWQJVNM-UHFFFAOYSA-N -1 3 398.423 3.520 20 0 GHADHM Cc1sc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)c(-c2nn[n-]n2)c1C ZINC000737562549 598822160 /nfs/dbraw/zinc/82/21/60/598822160.db2.gz JTMXPZBLWQJVNM-UHFFFAOYSA-N -1 3 398.423 3.520 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cc(F)cc1F ZINC000820120829 599296217 /nfs/dbraw/zinc/29/62/17/599296217.db2.gz KUEPBBNVDGVBIT-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cc(F)cc1F ZINC000820120829 599296219 /nfs/dbraw/zinc/29/62/19/599296219.db2.gz KUEPBBNVDGVBIT-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736301055 599303273 /nfs/dbraw/zinc/30/32/73/599303273.db2.gz KFHJCEGXODWMQX-CNWUCQQOSA-N -1 3 391.500 3.585 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000736301055 599303276 /nfs/dbraw/zinc/30/32/76/599303276.db2.gz KFHJCEGXODWMQX-CNWUCQQOSA-N -1 3 391.500 3.585 20 0 GHADHM CN(C(=O)CCOc1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736732194 599304260 /nfs/dbraw/zinc/30/42/60/599304260.db2.gz LFEHRFOZZRPBKR-UHFFFAOYSA-N -1 3 399.454 3.966 20 0 GHADHM CN(C(=O)CCOc1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736732194 599304263 /nfs/dbraw/zinc/30/42/63/599304263.db2.gz LFEHRFOZZRPBKR-UHFFFAOYSA-N -1 3 399.454 3.966 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820690515 599322758 /nfs/dbraw/zinc/32/27/58/599322758.db2.gz NESRPYCNJYKYJI-RHSMWYFYSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820690515 599322760 /nfs/dbraw/zinc/32/27/60/599322760.db2.gz NESRPYCNJYKYJI-RHSMWYFYSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140130 599323530 /nfs/dbraw/zinc/32/35/30/599323530.db2.gz YIBFMVWAGYMITJ-QAPCUYQASA-N -1 3 379.464 3.988 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140130 599323533 /nfs/dbraw/zinc/32/35/33/599323533.db2.gz YIBFMVWAGYMITJ-QAPCUYQASA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H](SCC(=O)Nc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191910 599331513 /nfs/dbraw/zinc/33/15/13/599331513.db2.gz XSZGVRYMWBVDAR-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@H](SCC(=O)Nc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191910 599331514 /nfs/dbraw/zinc/33/15/14/599331514.db2.gz XSZGVRYMWBVDAR-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737426040 599334012 /nfs/dbraw/zinc/33/40/12/599334012.db2.gz HYCMUSGBMVUBTF-HOTGVXAUSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737426040 599334014 /nfs/dbraw/zinc/33/40/14/599334014.db2.gz HYCMUSGBMVUBTF-HOTGVXAUSA-N -1 3 395.532 3.717 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Sc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000819844665 599341548 /nfs/dbraw/zinc/34/15/48/599341548.db2.gz KNQZAEPEZZLGJZ-GOSISDBHSA-N -1 3 395.488 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Sc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000819844665 599341551 /nfs/dbraw/zinc/34/15/51/599341551.db2.gz KNQZAEPEZZLGJZ-GOSISDBHSA-N -1 3 395.488 3.825 20 0 GHADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1ccccc1Cl ZINC000823514151 599346263 /nfs/dbraw/zinc/34/62/63/599346263.db2.gz XAFFAKQVYBGEBJ-INIZCTEOSA-N -1 3 385.880 3.808 20 0 GHADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1ccccc1Cl ZINC000823514151 599346266 /nfs/dbraw/zinc/34/62/66/599346266.db2.gz XAFFAKQVYBGEBJ-INIZCTEOSA-N -1 3 385.880 3.808 20 0 GHADHM C[C@@H](Nc1cccc(I)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460755 599363142 /nfs/dbraw/zinc/36/31/42/599363142.db2.gz BMHSHEZQZSAVDZ-SNVBAGLBSA-N -1 3 391.216 3.644 20 0 GHADHM C[C@@H](Nc1cccc(I)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460755 599363145 /nfs/dbraw/zinc/36/31/45/599363145.db2.gz BMHSHEZQZSAVDZ-SNVBAGLBSA-N -1 3 391.216 3.644 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000736637277 599398560 /nfs/dbraw/zinc/39/85/60/599398560.db2.gz VTYWSJGZJNMDCO-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000736637277 599398563 /nfs/dbraw/zinc/39/85/63/599398563.db2.gz VTYWSJGZJNMDCO-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cn2)c1 ZINC000822232176 599407367 /nfs/dbraw/zinc/40/73/67/599407367.db2.gz VUXOMAKMGXKQQK-UHFFFAOYSA-N -1 3 376.420 3.554 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNCc3ccc(-c4nn[n-]n4)o3)cn2)c1 ZINC000822232176 599407371 /nfs/dbraw/zinc/40/73/71/599407371.db2.gz VUXOMAKMGXKQQK-UHFFFAOYSA-N -1 3 376.420 3.554 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000736414947 599409329 /nfs/dbraw/zinc/40/93/29/599409329.db2.gz BHWMEZXEKOZZDA-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000736414947 599409331 /nfs/dbraw/zinc/40/93/31/599409331.db2.gz BHWMEZXEKOZZDA-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821128710 599425657 /nfs/dbraw/zinc/42/56/57/599425657.db2.gz ZYKXKPNXSCHKOA-GJZGRUSLSA-N -1 3 394.479 3.777 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821128710 599425660 /nfs/dbraw/zinc/42/56/60/599425660.db2.gz ZYKXKPNXSCHKOA-GJZGRUSLSA-N -1 3 394.479 3.777 20 0 GHADHM COc1ccc2[nH]cc(CCNc3cc(-c4nnn[n-]4)c4ccccc4n3)c2c1 ZINC000737116713 599437552 /nfs/dbraw/zinc/43/75/52/599437552.db2.gz WRTCOLZHPNTGDG-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM COc1ccc2[nH]cc(CCNc3cc(-c4nn[n-]n4)c4ccccc4n3)c2c1 ZINC000737116713 599437555 /nfs/dbraw/zinc/43/75/55/599437555.db2.gz WRTCOLZHPNTGDG-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820684534 599444444 /nfs/dbraw/zinc/44/44/44/599444444.db2.gz RACBGMFAUUWJRB-KBPBESRZSA-N -1 3 396.520 3.925 20 0 GHADHM c1csc(-c2cc(CSCCOc3ccccc3-c3nnn[n-]3)no2)c1 ZINC000738449805 599452839 /nfs/dbraw/zinc/45/28/39/599452839.db2.gz WFXDKTNHVOULJV-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM c1csc(-c2cc(CSCCOc3ccccc3-c3nn[n-]n3)no2)c1 ZINC000738449805 599452842 /nfs/dbraw/zinc/45/28/42/599452842.db2.gz WFXDKTNHVOULJV-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113969 599453149 /nfs/dbraw/zinc/45/31/49/599453149.db2.gz TXIIMALDCDEJOH-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113969 599453151 /nfs/dbraw/zinc/45/31/51/599453151.db2.gz TXIIMALDCDEJOH-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000735953810 599472103 /nfs/dbraw/zinc/47/21/03/599472103.db2.gz MBHWDWOETLURNA-HNNXBMFYSA-N -1 3 388.479 3.576 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000735953810 599472105 /nfs/dbraw/zinc/47/21/05/599472105.db2.gz MBHWDWOETLURNA-HNNXBMFYSA-N -1 3 388.479 3.576 20 0 GHADHM CCCN(Cc1csc([C@H](C)OCC)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736481600 599474384 /nfs/dbraw/zinc/47/43/84/599474384.db2.gz RJKBOGFBRXEQFY-AWEZNQCLSA-N -1 3 386.525 3.833 20 0 GHADHM CCCN(Cc1csc([C@H](C)OCC)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736481600 599474387 /nfs/dbraw/zinc/47/43/87/599474387.db2.gz RJKBOGFBRXEQFY-AWEZNQCLSA-N -1 3 386.525 3.833 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340249 599475668 /nfs/dbraw/zinc/47/56/68/599475668.db2.gz JCGSSCVXSYEJHP-CHWSQXEVSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340249 599475669 /nfs/dbraw/zinc/47/56/69/599475669.db2.gz JCGSSCVXSYEJHP-CHWSQXEVSA-N -1 3 384.871 3.984 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222789 599479642 /nfs/dbraw/zinc/47/96/42/599479642.db2.gz ZMCRPYNSRADEAB-ZDUSSCGKSA-N -1 3 384.871 3.813 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222789 599479644 /nfs/dbraw/zinc/47/96/44/599479644.db2.gz ZMCRPYNSRADEAB-ZDUSSCGKSA-N -1 3 384.871 3.813 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234842 599482570 /nfs/dbraw/zinc/48/25/70/599482570.db2.gz JHRGOOGSSKEGHY-HOTGVXAUSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234842 599482573 /nfs/dbraw/zinc/48/25/73/599482573.db2.gz JHRGOOGSSKEGHY-HOTGVXAUSA-N -1 3 378.480 3.509 20 0 GHADHM COc1ccc(Oc2cc(CNc3ccc(F)cc3-c3nnn[n-]3)ccn2)cc1 ZINC000821846543 599482735 /nfs/dbraw/zinc/48/27/35/599482735.db2.gz UDKYZEVCTAUVCF-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1ccc(Oc2cc(CNc3ccc(F)cc3-c3nn[n-]n3)ccn2)cc1 ZINC000821846543 599482736 /nfs/dbraw/zinc/48/27/36/599482736.db2.gz UDKYZEVCTAUVCF-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821230388 599484213 /nfs/dbraw/zinc/48/42/13/599484213.db2.gz JNCSNLVZAXYYMB-CYBMUJFWSA-N -1 3 384.871 3.813 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821230388 599484215 /nfs/dbraw/zinc/48/42/15/599484215.db2.gz JNCSNLVZAXYYMB-CYBMUJFWSA-N -1 3 384.871 3.813 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109237 599484293 /nfs/dbraw/zinc/48/42/93/599484293.db2.gz DKHONHWUZLQLNQ-CQSZACIVSA-N -1 3 382.443 3.689 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109237 599484295 /nfs/dbraw/zinc/48/42/95/599484295.db2.gz DKHONHWUZLQLNQ-CQSZACIVSA-N -1 3 382.443 3.689 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234765 599484799 /nfs/dbraw/zinc/48/47/99/599484799.db2.gz GWZMNZMPHQLIGH-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234765 599484801 /nfs/dbraw/zinc/48/48/01/599484801.db2.gz GWZMNZMPHQLIGH-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397367 599499644 /nfs/dbraw/zinc/49/96/44/599499644.db2.gz ORLIRIJTTGPFMH-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397367 599499647 /nfs/dbraw/zinc/49/96/47/599499647.db2.gz ORLIRIJTTGPFMH-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)sc2nccc(C)c12 ZINC000822379947 599503170 /nfs/dbraw/zinc/50/31/70/599503170.db2.gz WPAQXTJBAUJIDR-LBPRGKRZSA-N -1 3 378.461 3.584 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)sc2nccc(C)c12 ZINC000822379947 599503173 /nfs/dbraw/zinc/50/31/73/599503173.db2.gz WPAQXTJBAUJIDR-LBPRGKRZSA-N -1 3 378.461 3.584 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000822210831 599505013 /nfs/dbraw/zinc/50/50/13/599505013.db2.gz SMTCZAONBUTXJT-HZPDHXFCSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000822210831 599505014 /nfs/dbraw/zinc/50/50/14/599505014.db2.gz SMTCZAONBUTXJT-HZPDHXFCSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736134304 599507875 /nfs/dbraw/zinc/50/78/75/599507875.db2.gz BGBCTCFDBZAZEO-VIFPVBQESA-N -1 3 377.235 3.613 20 0 GHADHM C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736134304 599507877 /nfs/dbraw/zinc/50/78/77/599507877.db2.gz BGBCTCFDBZAZEO-VIFPVBQESA-N -1 3 377.235 3.613 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)n1 ZINC000822409747 599509101 /nfs/dbraw/zinc/50/91/01/599509101.db2.gz UUKZAUVKBAXBFB-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)n1 ZINC000822409747 599509103 /nfs/dbraw/zinc/50/91/03/599509103.db2.gz UUKZAUVKBAXBFB-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM COc1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1OC(F)F ZINC000821789915 599514013 /nfs/dbraw/zinc/51/40/13/599514013.db2.gz BVWDXBKYRNGJTC-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM COc1ccc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cc1OC(F)F ZINC000821789915 599514016 /nfs/dbraw/zinc/51/40/16/599514016.db2.gz BVWDXBKYRNGJTC-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCCO[C@H](c2ccccc2)C1 ZINC000737626788 599524845 /nfs/dbraw/zinc/52/48/45/599524845.db2.gz LIYAKXOMROZFOA-KRWDZBQOSA-N -1 3 389.381 3.854 20 0 GHADHM Fc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000737667785 599526350 /nfs/dbraw/zinc/52/63/50/599526350.db2.gz BXFFRYWGHMOHSI-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM C[C@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397327 599528929 /nfs/dbraw/zinc/52/89/29/599528929.db2.gz OGHONNCLKORGTD-HNNXBMFYSA-N -1 3 399.458 3.521 20 0 GHADHM C[C@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397327 599528931 /nfs/dbraw/zinc/52/89/31/599528931.db2.gz OGHONNCLKORGTD-HNNXBMFYSA-N -1 3 399.458 3.521 20 0 GHADHM CC[C@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)c1nccs1 ZINC000736369895 599530287 /nfs/dbraw/zinc/53/02/87/599530287.db2.gz OIYYGJNYWJLRCY-LBPRGKRZSA-N -1 3 390.476 3.996 20 0 GHADHM CC[C@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)c1nccs1 ZINC000736369895 599530289 /nfs/dbraw/zinc/53/02/89/599530289.db2.gz OIYYGJNYWJLRCY-LBPRGKRZSA-N -1 3 390.476 3.996 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000738266722 599533279 /nfs/dbraw/zinc/53/32/79/599533279.db2.gz JWRKLSWGALNKJM-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000738266722 599533281 /nfs/dbraw/zinc/53/32/81/599533281.db2.gz JWRKLSWGALNKJM-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397227 599539598 /nfs/dbraw/zinc/53/95/98/599539598.db2.gz NAONMVUYRZCXSU-SNVBAGLBSA-N -1 3 393.394 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397227 599539600 /nfs/dbraw/zinc/53/96/00/599539600.db2.gz NAONMVUYRZCXSU-SNVBAGLBSA-N -1 3 393.394 3.970 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC2(CCCC2)CC1 ZINC000738400211 599540367 /nfs/dbraw/zinc/54/03/67/599540367.db2.gz APEAXWCACMLVIC-UHFFFAOYSA-N -1 3 376.917 3.873 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC2(CCCC2)CC1 ZINC000738400211 599540369 /nfs/dbraw/zinc/54/03/69/599540369.db2.gz APEAXWCACMLVIC-UHFFFAOYSA-N -1 3 376.917 3.873 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1cccs1 ZINC000735513469 599541345 /nfs/dbraw/zinc/54/13/45/599541345.db2.gz NMFHVMRHWZQXGP-LLVKDONJSA-N -1 3 395.410 3.623 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1cccs1 ZINC000735513469 599541347 /nfs/dbraw/zinc/54/13/47/599541347.db2.gz NMFHVMRHWZQXGP-LLVKDONJSA-N -1 3 395.410 3.623 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507138 599542302 /nfs/dbraw/zinc/54/23/02/599542302.db2.gz ATAUQXAZBGGDLE-AWEZNQCLSA-N -1 3 388.431 3.745 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507138 599542303 /nfs/dbraw/zinc/54/23/03/599542303.db2.gz ATAUQXAZBGGDLE-AWEZNQCLSA-N -1 3 388.431 3.745 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000819933131 599543608 /nfs/dbraw/zinc/54/36/08/599543608.db2.gz GSRWTZFWSSHFOU-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000819933131 599543609 /nfs/dbraw/zinc/54/36/09/599543609.db2.gz GSRWTZFWSSHFOU-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CCc1c(C)sc(NC(=O)c2coc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000736679668 599545034 /nfs/dbraw/zinc/54/50/34/599545034.db2.gz ZMMVINMRDLQFJW-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1c(C)sc(NC(=O)c2coc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000736679668 599545036 /nfs/dbraw/zinc/54/50/36/599545036.db2.gz ZMMVINMRDLQFJW-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735925061 599546055 /nfs/dbraw/zinc/54/60/55/599546055.db2.gz WVKSDWTWLIWJAN-AWEZNQCLSA-N -1 3 381.455 3.939 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735925061 599546057 /nfs/dbraw/zinc/54/60/57/599546057.db2.gz WVKSDWTWLIWJAN-AWEZNQCLSA-N -1 3 381.455 3.939 20 0 GHADHM Fc1ccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(-c2nnn[n-]2)c1 ZINC000822779334 607384063 /nfs/dbraw/zinc/38/40/63/607384063.db2.gz VOQUWTSTBUKLKR-VIFPVBQESA-N -1 3 398.389 3.865 20 0 GHADHM Fc1ccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(-c2nn[n-]n2)c1 ZINC000822779334 607384065 /nfs/dbraw/zinc/38/40/65/607384065.db2.gz VOQUWTSTBUKLKR-VIFPVBQESA-N -1 3 398.389 3.865 20 0 GHADHM Fc1cccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nnn[n-]1 ZINC000822791215 607384145 /nfs/dbraw/zinc/38/41/45/607384145.db2.gz FGJFHBRZGXMYKV-VIFPVBQESA-N -1 3 398.389 3.865 20 0 GHADHM Fc1cccc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nn[n-]n1 ZINC000822791215 607384147 /nfs/dbraw/zinc/38/41/47/607384147.db2.gz FGJFHBRZGXMYKV-VIFPVBQESA-N -1 3 398.389 3.865 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1cccc2ccccc21 ZINC000821618136 599565317 /nfs/dbraw/zinc/56/53/17/599565317.db2.gz RUKMBMZDFVEWSA-UHFFFAOYSA-N -1 3 397.442 3.702 20 0 GHADHM CC(C)n1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000735960690 599566692 /nfs/dbraw/zinc/56/66/92/599566692.db2.gz KEJQXSVSFALDBQ-UHFFFAOYSA-N -1 3 388.435 3.640 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCc2c(Cl)cccc2C1 ZINC000822775599 599567842 /nfs/dbraw/zinc/56/78/42/599567842.db2.gz YIUUGKQZWUCVPW-UHFFFAOYSA-N -1 3 398.804 3.909 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCc2c(Cl)cccc2C1 ZINC000822775599 599567843 /nfs/dbraw/zinc/56/78/43/599567843.db2.gz YIUUGKQZWUCVPW-UHFFFAOYSA-N -1 3 398.804 3.909 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000737336588 599600045 /nfs/dbraw/zinc/60/00/45/599600045.db2.gz ZPEPMOKICBGLIU-LLVKDONJSA-N -1 3 387.513 3.546 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000737336588 599600047 /nfs/dbraw/zinc/60/00/47/599600047.db2.gz ZPEPMOKICBGLIU-LLVKDONJSA-N -1 3 387.513 3.546 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737334817 599614610 /nfs/dbraw/zinc/61/46/10/599614610.db2.gz MOYFHBANVBETPK-CQSZACIVSA-N -1 3 398.536 3.788 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737334817 599614613 /nfs/dbraw/zinc/61/46/13/599614613.db2.gz MOYFHBANVBETPK-CQSZACIVSA-N -1 3 398.536 3.788 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1SCCc2sccc21 ZINC000823303639 599629812 /nfs/dbraw/zinc/62/98/12/599629812.db2.gz PJBIWBIRPVFPNP-ZDUSSCGKSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1SCCc2sccc21 ZINC000823303639 599629813 /nfs/dbraw/zinc/62/98/13/599629813.db2.gz PJBIWBIRPVFPNP-ZDUSSCGKSA-N -1 3 377.882 3.551 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000819971425 599630212 /nfs/dbraw/zinc/63/02/12/599630212.db2.gz KSHNTOIDSMQKDQ-HTAPYJJXSA-N -1 3 390.491 3.656 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000819971425 599630213 /nfs/dbraw/zinc/63/02/13/599630213.db2.gz KSHNTOIDSMQKDQ-HTAPYJJXSA-N -1 3 390.491 3.656 20 0 GHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822288629 599632189 /nfs/dbraw/zinc/63/21/89/599632189.db2.gz DNTAGHGLAQFYCF-NSHDSACASA-N -1 3 375.354 3.936 20 0 GHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822288629 599632190 /nfs/dbraw/zinc/63/21/90/599632190.db2.gz DNTAGHGLAQFYCF-NSHDSACASA-N -1 3 375.354 3.936 20 0 GHADHM CS[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821942713 599633850 /nfs/dbraw/zinc/63/38/50/599633850.db2.gz PWYFSZCGDQYVQQ-AWEZNQCLSA-N -1 3 393.394 3.928 20 0 GHADHM CS[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821942713 599633851 /nfs/dbraw/zinc/63/38/51/599633851.db2.gz PWYFSZCGDQYVQQ-AWEZNQCLSA-N -1 3 393.394 3.928 20 0 GHADHM O=C(CCCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822959269 599633916 /nfs/dbraw/zinc/63/39/16/599633916.db2.gz VZGMKSMTTOZGGT-UHFFFAOYSA-N -1 3 381.383 3.908 20 0 GHADHM O=C(CCCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822959269 599633917 /nfs/dbraw/zinc/63/39/17/599633917.db2.gz VZGMKSMTTOZGGT-UHFFFAOYSA-N -1 3 381.383 3.908 20 0 GHADHM CC(C)[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1 ZINC000820028427 599635219 /nfs/dbraw/zinc/63/52/19/599635219.db2.gz ZAEJSLKOVJQGIX-GOSISDBHSA-N -1 3 393.426 3.543 20 0 GHADHM CC(C)[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1 ZINC000820028427 599635220 /nfs/dbraw/zinc/63/52/20/599635220.db2.gz ZAEJSLKOVJQGIX-GOSISDBHSA-N -1 3 393.426 3.543 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820068540 599652584 /nfs/dbraw/zinc/65/25/84/599652584.db2.gz RPSDGTINSURMSC-HNNXBMFYSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736248528 599655829 /nfs/dbraw/zinc/65/58/29/599655829.db2.gz IZMBYUJNNYNBHX-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736248528 599655830 /nfs/dbraw/zinc/65/58/30/599655830.db2.gz IZMBYUJNNYNBHX-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736248546 599655850 /nfs/dbraw/zinc/65/58/50/599655850.db2.gz JCPBTLMWBMBNRT-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736248546 599655851 /nfs/dbraw/zinc/65/58/51/599655851.db2.gz JCPBTLMWBMBNRT-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821480454 599668354 /nfs/dbraw/zinc/66/83/54/599668354.db2.gz CHHRIPHRTDSFMV-RDTXWAMCSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821480454 599668355 /nfs/dbraw/zinc/66/83/55/599668355.db2.gz CHHRIPHRTDSFMV-RDTXWAMCSA-N -1 3 394.479 3.705 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823431533 599670004 /nfs/dbraw/zinc/67/00/04/599670004.db2.gz QTTBQFKYCNPXGR-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823431533 599670005 /nfs/dbraw/zinc/67/00/05/599670005.db2.gz QTTBQFKYCNPXGR-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690493 599671966 /nfs/dbraw/zinc/67/19/66/599671966.db2.gz MYXDXVAWTRHULF-QAPCUYQASA-N -1 3 392.459 3.925 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690493 599671967 /nfs/dbraw/zinc/67/19/67/599671967.db2.gz MYXDXVAWTRHULF-QAPCUYQASA-N -1 3 392.459 3.925 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820349367 599673845 /nfs/dbraw/zinc/67/38/45/599673845.db2.gz HTCQOGNSVKKYRS-CYBMUJFWSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820349367 599673846 /nfs/dbraw/zinc/67/38/46/599673846.db2.gz HTCQOGNSVKKYRS-CYBMUJFWSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1ccncc1 ZINC000820919500 599675439 /nfs/dbraw/zinc/67/54/39/599675439.db2.gz DQEUESYBBJEAAR-IBGZPJMESA-N -1 3 393.495 3.581 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1ccncc1 ZINC000820919500 599675440 /nfs/dbraw/zinc/67/54/40/599675440.db2.gz DQEUESYBBJEAAR-IBGZPJMESA-N -1 3 393.495 3.581 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820341814 599680700 /nfs/dbraw/zinc/68/07/00/599680700.db2.gz RRQPTKPMCHPNDV-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820341814 599680701 /nfs/dbraw/zinc/68/07/01/599680701.db2.gz RRQPTKPMCHPNDV-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2cnccc21 ZINC000823303905 599690094 /nfs/dbraw/zinc/69/00/94/599690094.db2.gz YCKSNAXHIAXOKW-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2cnccc21 ZINC000823303905 599690095 /nfs/dbraw/zinc/69/00/95/599690095.db2.gz YCKSNAXHIAXOKW-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM Cc1sc(NC(=O)CCSc2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000822559242 599695404 /nfs/dbraw/zinc/69/54/04/599695404.db2.gz ZERFKHRHLBYWEM-UHFFFAOYSA-N -1 3 377.470 3.805 20 0 GHADHM Cc1sc(NC(=O)CCSc2ccccc2F)c(-c2nn[n-]n2)c1C ZINC000822559242 599695405 /nfs/dbraw/zinc/69/54/05/599695405.db2.gz ZERFKHRHLBYWEM-UHFFFAOYSA-N -1 3 377.470 3.805 20 0 GHADHM Cc1cncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822399874 607391599 /nfs/dbraw/zinc/39/15/99/607391599.db2.gz OLHRQFCZQMQURE-BIIKFXOESA-N -1 3 383.411 3.856 20 0 GHADHM Cc1cncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822399874 607391601 /nfs/dbraw/zinc/39/16/01/607391601.db2.gz OLHRQFCZQMQURE-BIIKFXOESA-N -1 3 383.411 3.856 20 0 GHADHM CSCc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826228920 607394931 /nfs/dbraw/zinc/39/49/31/607394931.db2.gz GQQYFVNZZUOLPJ-UHFFFAOYSA-N -1 3 380.477 3.541 20 0 GHADHM CSCc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826228920 607394932 /nfs/dbraw/zinc/39/49/32/607394932.db2.gz GQQYFVNZZUOLPJ-UHFFFAOYSA-N -1 3 380.477 3.541 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820161621 607396592 /nfs/dbraw/zinc/39/65/92/607396592.db2.gz YUYFQHWOQCDXKH-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820161621 607396594 /nfs/dbraw/zinc/39/65/94/607396594.db2.gz YUYFQHWOQCDXKH-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820160969 607400162 /nfs/dbraw/zinc/40/01/62/607400162.db2.gz RCSFCBBSZVYRHM-CVEARBPZSA-N -1 3 381.411 3.535 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820160969 607400165 /nfs/dbraw/zinc/40/01/65/607400165.db2.gz RCSFCBBSZVYRHM-CVEARBPZSA-N -1 3 381.411 3.535 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000820165347 607400336 /nfs/dbraw/zinc/40/03/36/607400336.db2.gz OWAAKQYPNDVRMB-UHFFFAOYSA-N -1 3 377.404 3.581 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000820165347 607400337 /nfs/dbraw/zinc/40/03/37/607400337.db2.gz OWAAKQYPNDVRMB-UHFFFAOYSA-N -1 3 377.404 3.581 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1-c1nnn[n-]1 ZINC000820169192 607406810 /nfs/dbraw/zinc/40/68/10/607406810.db2.gz HJKIMBOKGKYOOO-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1-c1nn[n-]n1 ZINC000820169192 607406812 /nfs/dbraw/zinc/40/68/12/607406812.db2.gz HJKIMBOKGKYOOO-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1-c1nnn[n-]1 ZINC000820173617 607407046 /nfs/dbraw/zinc/40/70/46/607407046.db2.gz JRODGSRYIYNXIQ-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1-c1nn[n-]n1 ZINC000820173617 607407049 /nfs/dbraw/zinc/40/70/49/607407049.db2.gz JRODGSRYIYNXIQ-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824753147 607423772 /nfs/dbraw/zinc/42/37/72/607423772.db2.gz CRBIEPLLFATJCN-GFCCVEGCSA-N -1 3 399.907 3.806 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824753147 607423774 /nfs/dbraw/zinc/42/37/74/607423774.db2.gz CRBIEPLLFATJCN-GFCCVEGCSA-N -1 3 399.907 3.806 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826316185 607428945 /nfs/dbraw/zinc/42/89/45/607428945.db2.gz GTTSUNGSEBLAFT-RYUDHWBXSA-N -1 3 385.518 3.919 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826316185 607428947 /nfs/dbraw/zinc/42/89/47/607428947.db2.gz GTTSUNGSEBLAFT-RYUDHWBXSA-N -1 3 385.518 3.919 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000823944182 607432999 /nfs/dbraw/zinc/43/29/99/607432999.db2.gz ZNXWDRIUEGROBN-VAWYXSNFSA-N -1 3 385.374 3.534 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000823944182 607433002 /nfs/dbraw/zinc/43/30/02/607433002.db2.gz ZNXWDRIUEGROBN-VAWYXSNFSA-N -1 3 385.374 3.534 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830526 607435551 /nfs/dbraw/zinc/43/55/51/607435551.db2.gz UUXVANFRMPMFEK-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830526 607435553 /nfs/dbraw/zinc/43/55/53/607435553.db2.gz UUXVANFRMPMFEK-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OCCC ZINC000825339298 607436460 /nfs/dbraw/zinc/43/64/60/607436460.db2.gz VWAWJJQFEXCXGL-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1OCCC ZINC000825339298 607436462 /nfs/dbraw/zinc/43/64/62/607436462.db2.gz VWAWJJQFEXCXGL-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000738533884 600331246 /nfs/dbraw/zinc/33/12/46/600331246.db2.gz VWDDMLDRECHTSC-UHFFFAOYSA-N -1 3 396.487 3.561 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826285252 607437386 /nfs/dbraw/zinc/43/73/86/607437386.db2.gz UCCXDDYGKJSEOF-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826285252 607437387 /nfs/dbraw/zinc/43/73/87/607437387.db2.gz UCCXDDYGKJSEOF-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccsc1 ZINC000737086439 600382312 /nfs/dbraw/zinc/38/23/12/600382312.db2.gz XURTXJATNTZVOQ-MRXNPFEDSA-N -1 3 379.457 3.790 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000738772229 600397235 /nfs/dbraw/zinc/39/72/35/600397235.db2.gz WTWFQXFDJGKGPE-UHFFFAOYSA-N -1 3 385.439 3.572 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc(Br)c1OC ZINC000737885869 600432174 /nfs/dbraw/zinc/43/21/74/600432174.db2.gz KMTJFXYKGQHAQW-OAHLLOKOSA-N -1 3 398.228 3.521 20 0 GHADHM Fc1cc(Br)c(NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822748004 607445424 /nfs/dbraw/zinc/44/54/24/607445424.db2.gz BZLFBICUTMGDGN-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(Br)c(NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822748004 607445426 /nfs/dbraw/zinc/44/54/26/607445426.db2.gz BZLFBICUTMGDGN-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824136257 607455118 /nfs/dbraw/zinc/45/51/18/607455118.db2.gz OHEZRPHFBUUBDE-UHFFFAOYSA-N -1 3 390.491 3.653 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824136257 607455120 /nfs/dbraw/zinc/45/51/20/607455120.db2.gz OHEZRPHFBUUBDE-UHFFFAOYSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826296224 607457357 /nfs/dbraw/zinc/45/73/57/607457357.db2.gz NZGCCBSLHIQQCU-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826296224 607457358 /nfs/dbraw/zinc/45/73/58/607457358.db2.gz NZGCCBSLHIQQCU-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@H](c2ccc(-c3nnn[n-]3)cc2F)N1CC1CC1 ZINC000823551601 607462427 /nfs/dbraw/zinc/46/24/27/607462427.db2.gz WWICAPKEEYRBEH-SFHVURJKSA-N -1 3 398.829 3.636 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@H](c2ccc(-c3nn[n-]n3)cc2F)N1CC1CC1 ZINC000823551601 607462429 /nfs/dbraw/zinc/46/24/29/607462429.db2.gz WWICAPKEEYRBEH-SFHVURJKSA-N -1 3 398.829 3.636 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000832914173 600694139 /nfs/dbraw/zinc/69/41/39/600694139.db2.gz BXEYMVAMEQHVQR-CVEARBPZSA-N -1 3 392.459 3.557 20 0 GHADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736809223 600715606 /nfs/dbraw/zinc/71/56/06/600715606.db2.gz QGJUUTSPIYHQQB-WQVCFCJDSA-N -1 3 382.888 3.701 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832928096 600839333 /nfs/dbraw/zinc/83/93/33/600839333.db2.gz AYFUQVLKZWHVRC-ICSRJNTNSA-N -1 3 380.488 3.924 20 0 GHADHM CC1CCC(Oc2cc(CNCc3ccc(-c4nn[n-]n4)cc3F)ccn2)CC1 ZINC000820691777 607482015 /nfs/dbraw/zinc/48/20/15/607482015.db2.gz ZGXJFFVCOMBJLS-UHFFFAOYSA-N -1 3 396.470 3.648 20 0 GHADHM Cc1cc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000832894768 601040512 /nfs/dbraw/zinc/04/05/12/601040512.db2.gz NYJZEDJCPDRDKY-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000828277755 601045114 /nfs/dbraw/zinc/04/51/14/601045114.db2.gz MSNSYBCCOUDNFE-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828279338 601046181 /nfs/dbraw/zinc/04/61/81/601046181.db2.gz XGDHKNRAXZLOFP-SFHVURJKSA-N -1 3 395.503 3.832 20 0 GHADHM Clc1ccc([C@H]2CCCN2Cc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826351585 607487120 /nfs/dbraw/zinc/48/71/20/607487120.db2.gz RXKFYFBDIJKMBI-MRXNPFEDSA-N -1 3 375.263 3.906 20 0 GHADHM Clc1ccc([C@H]2CCCN2Cc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826351585 607487121 /nfs/dbraw/zinc/48/71/21/607487121.db2.gz RXKFYFBDIJKMBI-MRXNPFEDSA-N -1 3 375.263 3.906 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000826053132 601202594 /nfs/dbraw/zinc/20/25/94/601202594.db2.gz IKSKKPSHYVAXNN-APPDUMDISA-N -1 3 381.259 3.984 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820291967 607499442 /nfs/dbraw/zinc/49/94/42/607499442.db2.gz BEJNONAOHGPHOD-GJZGRUSLSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820291967 607499444 /nfs/dbraw/zinc/49/94/44/607499444.db2.gz BEJNONAOHGPHOD-GJZGRUSLSA-N -1 3 381.505 3.613 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819946940 607503811 /nfs/dbraw/zinc/50/38/11/607503811.db2.gz XKEQJDBFBUCNOE-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819946940 607503813 /nfs/dbraw/zinc/50/38/13/607503813.db2.gz XKEQJDBFBUCNOE-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM Cc1nccn1C[C@H]1CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833010941 601376214 /nfs/dbraw/zinc/37/62/14/601376214.db2.gz OKPNKVURPCEQSX-GOSISDBHSA-N -1 3 382.489 3.678 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)CC1 ZINC000826727666 601486396 /nfs/dbraw/zinc/48/63/96/601486396.db2.gz UCEPIQDMEAOIRG-UHFFFAOYSA-N -1 3 387.524 3.678 20 0 GHADHM CC(C)N(Cc1noc(C2CCCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293149 607518742 /nfs/dbraw/zinc/51/87/42/607518742.db2.gz GGQTWHNIKATPJQ-UHFFFAOYSA-N -1 3 381.484 3.708 20 0 GHADHM CC(C)N(Cc1noc(C2CCCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293149 607518745 /nfs/dbraw/zinc/51/87/45/607518745.db2.gz GGQTWHNIKATPJQ-UHFFFAOYSA-N -1 3 381.484 3.708 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000826375483 607523686 /nfs/dbraw/zinc/52/36/86/607523686.db2.gz PIMXXTZTWPRCOX-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000826375483 607523688 /nfs/dbraw/zinc/52/36/88/607523688.db2.gz PIMXXTZTWPRCOX-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176766 601930488 /nfs/dbraw/zinc/93/04/88/601930488.db2.gz JXHBBQJWGQBNKY-YJBOKZPZSA-N -1 3 382.464 3.585 20 0 GHADHM FC(F)(F)COCc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826367768 607543252 /nfs/dbraw/zinc/54/32/52/607543252.db2.gz NHSPGPSKSNJYSF-UHFFFAOYSA-N -1 3 398.776 3.606 20 0 GHADHM FC(F)(F)COCc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826367768 607543253 /nfs/dbraw/zinc/54/32/53/607543253.db2.gz NHSPGPSKSNJYSF-UHFFFAOYSA-N -1 3 398.776 3.606 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])c1 ZINC000832057930 602169936 /nfs/dbraw/zinc/16/99/36/602169936.db2.gz SVWFNFJFFUUCFA-OAQYLSRUSA-N -1 3 385.460 3.941 20 0 GHADHM Cc1sc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000380453742 602363986 /nfs/dbraw/zinc/36/39/86/602363986.db2.gz NWJYJZBERXTVAE-INIZCTEOSA-N -1 3 387.505 3.801 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCN1Cc1ccccc1 ZINC000828276372 602382643 /nfs/dbraw/zinc/38/26/43/602382643.db2.gz BJVATRXUKONOCV-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM O=C([O-])NC1(c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)CCCC1 ZINC000740549600 602411909 /nfs/dbraw/zinc/41/19/09/602411909.db2.gz BIDZTMVYQMLVLF-HNNXBMFYSA-N -1 3 388.443 3.625 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cc2occc2[nH]1 ZINC000826442531 607570943 /nfs/dbraw/zinc/57/09/43/607570943.db2.gz YQKCMRSSSPQOQL-UHFFFAOYSA-N -1 3 390.428 3.600 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826186194 607578734 /nfs/dbraw/zinc/57/87/34/607578734.db2.gz IZKDBHMIKYMLJG-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826186194 607578736 /nfs/dbraw/zinc/57/87/36/607578736.db2.gz IZKDBHMIKYMLJG-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)N2CCCC2)cc1 ZINC000830262332 602769301 /nfs/dbraw/zinc/76/93/01/602769301.db2.gz NOICMQOPNWESFK-HXUWFJFHSA-N -1 3 381.476 3.960 20 0 GHADHM COc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc1-c1nnn[n-]1 ZINC000826196204 607589059 /nfs/dbraw/zinc/58/90/59/607589059.db2.gz TXAPNUIOSZRLDW-SFHVURJKSA-N -1 3 399.882 3.585 20 0 GHADHM COc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc1-c1nn[n-]n1 ZINC000826196204 607589060 /nfs/dbraw/zinc/58/90/60/607589060.db2.gz TXAPNUIOSZRLDW-SFHVURJKSA-N -1 3 399.882 3.585 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)N(C)C)cc1 ZINC000740119037 603289469 /nfs/dbraw/zinc/28/94/69/603289469.db2.gz TVCSZVVYTZATAB-KRWDZBQOSA-N -1 3 375.856 3.771 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000825427552 603364102 /nfs/dbraw/zinc/36/41/02/603364102.db2.gz WUYGTEZTVBFYSG-MRXNPFEDSA-N -1 3 388.512 3.745 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826426954 607639576 /nfs/dbraw/zinc/63/95/76/607639576.db2.gz AVFBXNJCENYNQE-INIZCTEOSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826426954 607639577 /nfs/dbraw/zinc/63/95/77/607639577.db2.gz AVFBXNJCENYNQE-INIZCTEOSA-N -1 3 382.855 3.576 20 0 GHADHM C[C@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000825115911 603786979 /nfs/dbraw/zinc/78/69/79/603786979.db2.gz UZFSDJHJFJRFLP-ZLPCBKJTSA-N -1 3 383.492 3.528 20 0 GHADHM Cc1ccc(-c2nnc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000826273781 607658565 /nfs/dbraw/zinc/65/85/65/607658565.db2.gz UELCXBKFTPAGOE-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM Cc1ccc(-c2nnc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000826273781 607658567 /nfs/dbraw/zinc/65/85/67/607658567.db2.gz UELCXBKFTPAGOE-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826316057 607683608 /nfs/dbraw/zinc/68/36/08/607683608.db2.gz BTIWKNXQKWSWTP-GHMZBOCLSA-N -1 3 391.403 3.580 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826316057 607683610 /nfs/dbraw/zinc/68/36/10/607683610.db2.gz BTIWKNXQKWSWTP-GHMZBOCLSA-N -1 3 391.403 3.580 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000573974711 604454068 /nfs/dbraw/zinc/45/40/68/604454068.db2.gz AFIGUHROIPIQMJ-QGZVFWFLSA-N -1 3 381.375 3.563 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000518201236 604457258 /nfs/dbraw/zinc/45/72/58/604457258.db2.gz VBVPFHSWZAHGQN-OAQYLSRUSA-N -1 3 397.471 3.733 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826316104 607711237 /nfs/dbraw/zinc/71/12/37/607711237.db2.gz CVHHCUJTVWROKU-UONOGXRCSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826316104 607711239 /nfs/dbraw/zinc/71/12/39/607711239.db2.gz CVHHCUJTVWROKU-UONOGXRCSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000826250130 607711343 /nfs/dbraw/zinc/71/13/43/607711343.db2.gz LWHSETIJNNUPGN-UHFFFAOYSA-N -1 3 381.411 3.888 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000826250130 607711344 /nfs/dbraw/zinc/71/13/44/607711344.db2.gz LWHSETIJNNUPGN-UHFFFAOYSA-N -1 3 381.411 3.888 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000826278395 607711675 /nfs/dbraw/zinc/71/16/75/607711675.db2.gz ABUAWBHMPGVLPU-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000826278395 607711678 /nfs/dbraw/zinc/71/16/78/607711678.db2.gz ABUAWBHMPGVLPU-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM CC[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825081491 607714465 /nfs/dbraw/zinc/71/44/65/607714465.db2.gz KBTSVSHUFBVTNA-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825081491 607714467 /nfs/dbraw/zinc/71/44/67/607714467.db2.gz KBTSVSHUFBVTNA-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM COc1cc(N[C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)cc(OC)c1 ZINC000832027276 604801106 /nfs/dbraw/zinc/80/11/06/604801106.db2.gz XPMYIGPOCABEOE-CQSZACIVSA-N -1 3 376.478 3.540 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c2cccs2)CC1 ZINC000828284695 604803382 /nfs/dbraw/zinc/80/33/82/604803382.db2.gz HCFHIACVGUGNIB-QGZVFWFLSA-N -1 3 390.480 3.788 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000833420914 604945472 /nfs/dbraw/zinc/94/54/72/604945472.db2.gz BZMQUGMRBREVJA-YYUOZPCZSA-N -1 3 392.348 3.924 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000833420913 604945566 /nfs/dbraw/zinc/94/55/66/604945566.db2.gz BZMQUGMRBREVJA-OIRASMEMSA-N -1 3 392.348 3.924 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000833411439 605174759 /nfs/dbraw/zinc/17/47/59/605174759.db2.gz BQAADEZLYRSBIQ-OAQYLSRUSA-N -1 3 380.488 3.619 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000833599969 605281114 /nfs/dbraw/zinc/28/11/14/605281114.db2.gz JBDISHXRNSYKOR-XJKSGUPXSA-N -1 3 386.427 3.700 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)CC2)CC1 ZINC000833604308 605283964 /nfs/dbraw/zinc/28/39/64/605283964.db2.gz QXJNOVXONPMIDI-UHFFFAOYSA-N -1 3 378.448 3.644 20 0 GHADHM COc1ccccc1N1CCC(N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833736786 605359132 /nfs/dbraw/zinc/35/91/32/605359132.db2.gz YEWSHHZJKAFGGL-LJQANCHMSA-N -1 3 392.858 3.872 20 0 GHADHM O=C([O-])N1CCC[C@@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000834105144 605495264 /nfs/dbraw/zinc/49/52/64/605495264.db2.gz GJEYAJWYUCAXCV-LJQANCHMSA-N -1 3 382.464 3.623 20 0 GHADHM CC(C)(COc1ncccc1Br)NCc1ccc(C(=O)[O-])cc1F ZINC000833461727 605550536 /nfs/dbraw/zinc/55/05/36/605550536.db2.gz ILRVVBWVYUKPKU-UHFFFAOYSA-N -1 3 397.244 3.629 20 0 GHADHM CCOc1cc(Cl)ccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825615576 607762613 /nfs/dbraw/zinc/76/26/13/607762613.db2.gz AZDZUICVBHTWBD-UHFFFAOYSA-N -1 3 386.843 3.549 20 0 GHADHM CCOc1cc(Cl)ccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825615576 607762614 /nfs/dbraw/zinc/76/26/14/607762614.db2.gz AZDZUICVBHTWBD-UHFFFAOYSA-N -1 3 386.843 3.549 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc(F)cc(F)c1 ZINC000826459353 607769164 /nfs/dbraw/zinc/76/91/64/607769164.db2.gz GMYGIBGQXYXFLH-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc(F)cc(F)c1 ZINC000826459353 607769165 /nfs/dbraw/zinc/76/91/65/607769165.db2.gz GMYGIBGQXYXFLH-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM C[C@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccncc1 ZINC000824384534 607771255 /nfs/dbraw/zinc/77/12/55/607771255.db2.gz CZPOVCORGDNXPE-GFCCVEGCSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccncc1 ZINC000824384534 607771256 /nfs/dbraw/zinc/77/12/56/607771256.db2.gz CZPOVCORGDNXPE-GFCCVEGCSA-N -1 3 391.460 3.518 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccsc1 ZINC000827036332 605805471 /nfs/dbraw/zinc/80/54/71/605805471.db2.gz RYQOPISWQYQTAD-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCCSCC(F)(F)F)c1ccccc1O2 ZINC000834085661 605856305 /nfs/dbraw/zinc/85/63/05/605856305.db2.gz MIZKLOYWDMAKIK-CZUORRHYSA-N -1 3 390.427 3.518 20 0 GHADHM Cc1ccc(CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)o1 ZINC000822235181 606103698 /nfs/dbraw/zinc/10/36/98/606103698.db2.gz WQJGGFSXJKZDNG-UHFFFAOYSA-N -1 3 387.443 3.934 20 0 GHADHM Cc1ccc(CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)o1 ZINC000822235181 606103699 /nfs/dbraw/zinc/10/36/99/606103699.db2.gz WQJGGFSXJKZDNG-UHFFFAOYSA-N -1 3 387.443 3.934 20 0 GHADHM Cc1cnc([C@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)s1 ZINC000822388761 606104050 /nfs/dbraw/zinc/10/40/50/606104050.db2.gz AEHHRHQRICCUJP-LBPRGKRZSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1cnc([C@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)s1 ZINC000822388761 606104052 /nfs/dbraw/zinc/10/40/52/606104052.db2.gz AEHHRHQRICCUJP-LBPRGKRZSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000822217534 606116185 /nfs/dbraw/zinc/11/61/85/606116185.db2.gz HJPLRYKJNNATEU-DOTOQJQBSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000822217534 606116187 /nfs/dbraw/zinc/11/61/87/606116187.db2.gz HJPLRYKJNNATEU-DOTOQJQBSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1cccnc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822369500 606116924 /nfs/dbraw/zinc/11/69/24/606116924.db2.gz JILDMAZOBONQGY-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cccnc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822369500 606116926 /nfs/dbraw/zinc/11/69/26/606116926.db2.gz JILDMAZOBONQGY-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000822389021 606119251 /nfs/dbraw/zinc/11/92/51/606119251.db2.gz IZJAUQFJDYQFGX-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000822389021 606119252 /nfs/dbraw/zinc/11/92/52/606119252.db2.gz IZJAUQFJDYQFGX-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821699598 606123518 /nfs/dbraw/zinc/12/35/18/606123518.db2.gz WCHFPEVQLHETFU-SSDOTTSWSA-N -1 3 399.259 3.953 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821699598 606123521 /nfs/dbraw/zinc/12/35/21/606123521.db2.gz WCHFPEVQLHETFU-SSDOTTSWSA-N -1 3 399.259 3.953 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379714 606154540 /nfs/dbraw/zinc/15/45/40/606154540.db2.gz FDPIHOATEXHQGM-ZDUSSCGKSA-N -1 3 392.463 3.978 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379714 606154542 /nfs/dbraw/zinc/15/45/42/606154542.db2.gz FDPIHOATEXHQGM-ZDUSSCGKSA-N -1 3 392.463 3.978 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000820342114 606162465 /nfs/dbraw/zinc/16/24/65/606162465.db2.gz TZZRMLSFEOLJOQ-IAGOWNOFSA-N -1 3 392.507 3.979 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000820342114 606162467 /nfs/dbraw/zinc/16/24/67/606162467.db2.gz TZZRMLSFEOLJOQ-IAGOWNOFSA-N -1 3 392.507 3.979 20 0 GHADHM O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614519 606180195 /nfs/dbraw/zinc/18/01/95/606180195.db2.gz QBYJUVQPJNETCW-MHZLTWQESA-N -1 3 399.863 3.624 20 0 GHADHM O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614519 606180197 /nfs/dbraw/zinc/18/01/97/606180197.db2.gz QBYJUVQPJNETCW-MHZLTWQESA-N -1 3 399.863 3.624 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380119 606195004 /nfs/dbraw/zinc/19/50/04/606195004.db2.gz LPVDULAFDYOZNH-NSHDSACASA-N -1 3 389.419 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380119 606195006 /nfs/dbraw/zinc/19/50/06/606195006.db2.gz LPVDULAFDYOZNH-NSHDSACASA-N -1 3 389.419 3.768 20 0 GHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1OCC1CCOCC1 ZINC000822255293 606221843 /nfs/dbraw/zinc/22/18/43/606221843.db2.gz YQBNAZGYQOUMNQ-UHFFFAOYSA-N -1 3 385.493 3.654 20 0 GHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1OCC1CCOCC1 ZINC000822255293 606221845 /nfs/dbraw/zinc/22/18/45/606221845.db2.gz YQBNAZGYQOUMNQ-UHFFFAOYSA-N -1 3 385.493 3.654 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1C[C@H]1C1CC1 ZINC000823383068 606233533 /nfs/dbraw/zinc/23/35/33/606233533.db2.gz KTFZYAMZOWZNON-KBPBESRZSA-N -1 3 377.473 3.678 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1C[C@H]1C1CC1 ZINC000823383068 606233535 /nfs/dbraw/zinc/23/35/35/606233535.db2.gz KTFZYAMZOWZNON-KBPBESRZSA-N -1 3 377.473 3.678 20 0 GHADHM CN(Cc1ccco1)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821615833 606245249 /nfs/dbraw/zinc/24/52/49/606245249.db2.gz PVIGVSPFAOGAAE-UHFFFAOYSA-N -1 3 391.456 3.883 20 0 GHADHM CN(Cc1ccco1)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821615833 606245250 /nfs/dbraw/zinc/24/52/50/606245250.db2.gz PVIGVSPFAOGAAE-UHFFFAOYSA-N -1 3 391.456 3.883 20 0 GHADHM O=C(Nc1ccccc1O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823372386 606250414 /nfs/dbraw/zinc/25/04/14/606250414.db2.gz AJNQMUCMCDVUPH-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Nc1ccccc1O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823372386 606250415 /nfs/dbraw/zinc/25/04/15/606250415.db2.gz AJNQMUCMCDVUPH-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821615756 606260779 /nfs/dbraw/zinc/26/07/79/606260779.db2.gz LZKAVTXRRWVCAP-UHFFFAOYSA-N -1 3 391.456 3.883 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821615756 606260780 /nfs/dbraw/zinc/26/07/80/606260780.db2.gz LZKAVTXRRWVCAP-UHFFFAOYSA-N -1 3 391.456 3.883 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cs2)cc1 ZINC000822213934 606270518 /nfs/dbraw/zinc/27/05/18/606270518.db2.gz HXWTUVNYOQSKFD-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cs2)cc1 ZINC000822213934 606270519 /nfs/dbraw/zinc/27/05/19/606270519.db2.gz HXWTUVNYOQSKFD-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)ccc2c1 ZINC000821853811 606271814 /nfs/dbraw/zinc/27/18/14/606271814.db2.gz ALGHPLOWAWLLOQ-OQFOIZHKSA-N -1 3 389.390 3.820 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)ccc2c1 ZINC000821853811 606271816 /nfs/dbraw/zinc/27/18/16/606271816.db2.gz ALGHPLOWAWLLOQ-OQFOIZHKSA-N -1 3 389.390 3.820 20 0 GHADHM CCc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000821470999 606278848 /nfs/dbraw/zinc/27/88/48/606278848.db2.gz UILDWFXBJDFGIL-UHFFFAOYSA-N -1 3 392.444 3.821 20 0 GHADHM CCc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000821470999 606278850 /nfs/dbraw/zinc/27/88/50/606278850.db2.gz UILDWFXBJDFGIL-UHFFFAOYSA-N -1 3 392.444 3.821 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000821119347 606283252 /nfs/dbraw/zinc/28/32/52/606283252.db2.gz XTNUXVBOMXMPII-DZGCQCFKSA-N -1 3 398.417 3.709 20 0 GHADHM CCN(C(=O)Cc1coc2cc(F)ccc12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154373 606284218 /nfs/dbraw/zinc/28/42/18/606284218.db2.gz MXLOQQZJOCPFNE-CYBMUJFWSA-N -1 3 393.422 3.904 20 0 GHADHM CCN(C(=O)Cc1coc2cc(F)ccc12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154373 606284220 /nfs/dbraw/zinc/28/42/20/606284220.db2.gz MXLOQQZJOCPFNE-CYBMUJFWSA-N -1 3 393.422 3.904 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1OC(F)F ZINC000820555027 606328767 /nfs/dbraw/zinc/32/87/67/606328767.db2.gz DYVMQNYQJKWLBN-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1OC(F)F ZINC000820555027 606328769 /nfs/dbraw/zinc/32/87/69/606328769.db2.gz DYVMQNYQJKWLBN-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@@H](C)OC(=O)OC(C)C)n1 ZINC000822191651 606333242 /nfs/dbraw/zinc/33/32/42/606333242.db2.gz MYXOXUNGLJEZFX-QMMMGPOBSA-N -1 3 391.375 3.589 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821436882 606344429 /nfs/dbraw/zinc/34/44/29/606344429.db2.gz HBJKTSTZIJINBC-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821436882 606344431 /nfs/dbraw/zinc/34/44/31/606344431.db2.gz HBJKTSTZIJINBC-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822225006 606345238 /nfs/dbraw/zinc/34/52/38/606345238.db2.gz JLWBFPPIMZTTAF-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822225006 606345240 /nfs/dbraw/zinc/34/52/40/606345240.db2.gz JLWBFPPIMZTTAF-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535140 606345262 /nfs/dbraw/zinc/34/52/62/606345262.db2.gz HWVDKRRTOOOOMJ-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535140 606345264 /nfs/dbraw/zinc/34/52/64/606345264.db2.gz HWVDKRRTOOOOMJ-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535497 606350368 /nfs/dbraw/zinc/35/03/68/606350368.db2.gz UILNFKAQCBSVAN-CYBMUJFWSA-N -1 3 389.415 3.677 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535497 606350370 /nfs/dbraw/zinc/35/03/70/606350370.db2.gz UILNFKAQCBSVAN-CYBMUJFWSA-N -1 3 389.415 3.677 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822554234 606350822 /nfs/dbraw/zinc/35/08/22/606350822.db2.gz XGONTQYCFKECBT-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822554234 606350824 /nfs/dbraw/zinc/35/08/24/606350824.db2.gz XGONTQYCFKECBT-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM COc1ccc(SCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821846244 606353616 /nfs/dbraw/zinc/35/36/16/606353616.db2.gz ONBASEPMMOYWGT-CYBMUJFWSA-N -1 3 384.461 3.662 20 0 GHADHM COc1ccc(SCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821846244 606353614 /nfs/dbraw/zinc/35/36/14/606353614.db2.gz ONBASEPMMOYWGT-CYBMUJFWSA-N -1 3 384.461 3.662 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820293208 606357096 /nfs/dbraw/zinc/35/70/96/606357096.db2.gz IOBABKVOYPZCDC-LLVKDONJSA-N -1 3 388.834 3.754 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820293208 606357098 /nfs/dbraw/zinc/35/70/98/606357098.db2.gz IOBABKVOYPZCDC-LLVKDONJSA-N -1 3 388.834 3.754 20 0 GHADHM O=C(CCc1cccnc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822983945 606361914 /nfs/dbraw/zinc/36/19/14/606361914.db2.gz ZBGCSUWRPMUSSJ-UHFFFAOYSA-N -1 3 387.399 3.592 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823350517 606379827 /nfs/dbraw/zinc/37/98/27/606379827.db2.gz QEISWVMPPXXJAL-MNZLEMJZSA-N -1 3 393.422 3.569 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823350517 606379830 /nfs/dbraw/zinc/37/98/30/606379830.db2.gz QEISWVMPPXXJAL-MNZLEMJZSA-N -1 3 393.422 3.569 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000821612009 606382664 /nfs/dbraw/zinc/38/26/64/606382664.db2.gz DRTGHRCHIHONOU-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000821612009 606382665 /nfs/dbraw/zinc/38/26/65/606382665.db2.gz DRTGHRCHIHONOU-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM Cc1c([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822020816 606401139 /nfs/dbraw/zinc/40/11/39/606401139.db2.gz KFJPDNFJIJETFZ-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM CN(C(=O)CCc1c[nH]c2ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569422 606411996 /nfs/dbraw/zinc/41/19/96/606411996.db2.gz JUHMHCJBXDRSKJ-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CN(C(=O)CCc1c[nH]c2ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569422 606411998 /nfs/dbraw/zinc/41/19/98/606411998.db2.gz JUHMHCJBXDRSKJ-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CN(C(=O)c1csc(Br)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574421 606414877 /nfs/dbraw/zinc/41/48/77/606414877.db2.gz FZXFEWBZRQKIRC-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1csc(Br)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574421 606414878 /nfs/dbraw/zinc/41/48/78/606414878.db2.gz FZXFEWBZRQKIRC-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cccs1)Cc1cccs1 ZINC000823472718 606439675 /nfs/dbraw/zinc/43/96/75/606439675.db2.gz WMOSJNDQIWVBPE-UHFFFAOYSA-N -1 3 381.486 3.832 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cccs1)Cc1cccs1 ZINC000823472718 606439676 /nfs/dbraw/zinc/43/96/76/606439676.db2.gz WMOSJNDQIWVBPE-UHFFFAOYSA-N -1 3 381.486 3.832 20 0 GHADHM COc1ccc([C@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000821787524 606443482 /nfs/dbraw/zinc/44/34/82/606443482.db2.gz UWKCQCFVJCMRTN-MRXNPFEDSA-N -1 3 387.390 3.504 20 0 GHADHM COc1ccc([C@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000821787524 606443484 /nfs/dbraw/zinc/44/34/84/606443484.db2.gz UWKCQCFVJCMRTN-MRXNPFEDSA-N -1 3 387.390 3.504 20 0 GHADHM COc1ccc(OC)c([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821841362 606443487 /nfs/dbraw/zinc/44/34/87/606443487.db2.gz IBWFAAGKEKWWGP-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc(OC)c([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821841362 606443489 /nfs/dbraw/zinc/44/34/89/606443489.db2.gz IBWFAAGKEKWWGP-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc(CCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000821790257 606446922 /nfs/dbraw/zinc/44/69/22/606446922.db2.gz LIHCQRFQXBQTQM-UHFFFAOYSA-N -1 3 388.431 3.717 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822242500 606458776 /nfs/dbraw/zinc/45/87/76/606458776.db2.gz MXQJTJOKTNTLGA-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822242500 606458777 /nfs/dbraw/zinc/45/87/77/606458777.db2.gz MXQJTJOKTNTLGA-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM C[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511638 606468291 /nfs/dbraw/zinc/46/82/91/606468291.db2.gz ACTSWKWWCHWYGW-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511638 606468292 /nfs/dbraw/zinc/46/82/92/606468292.db2.gz ACTSWKWWCHWYGW-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821133986 606478116 /nfs/dbraw/zinc/47/81/16/606478116.db2.gz KAJBIOPAMFVSIN-UHFFFAOYSA-N -1 3 397.382 3.988 20 0 GHADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821133986 606478117 /nfs/dbraw/zinc/47/81/17/606478117.db2.gz KAJBIOPAMFVSIN-UHFFFAOYSA-N -1 3 397.382 3.988 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000823466220 606491380 /nfs/dbraw/zinc/49/13/80/606491380.db2.gz HBZVIBZORAIUNJ-UHFFFAOYSA-N -1 3 393.394 3.752 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000823466220 606491381 /nfs/dbraw/zinc/49/13/81/606491381.db2.gz HBZVIBZORAIUNJ-UHFFFAOYSA-N -1 3 393.394 3.752 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000823466274 606491395 /nfs/dbraw/zinc/49/13/95/606491395.db2.gz IXLCNNGVPVREDD-UHFFFAOYSA-N -1 3 393.394 3.752 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000823466274 606491396 /nfs/dbraw/zinc/49/13/96/606491396.db2.gz IXLCNNGVPVREDD-UHFFFAOYSA-N -1 3 393.394 3.752 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC000821476070 606495330 /nfs/dbraw/zinc/49/53/30/606495330.db2.gz GCONHQAHFGMSMW-UHFFFAOYSA-N -1 3 396.501 3.795 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC000821476070 606495332 /nfs/dbraw/zinc/49/53/32/606495332.db2.gz GCONHQAHFGMSMW-UHFFFAOYSA-N -1 3 396.501 3.795 20 0 GHADHM CC(C)[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000820016383 606504458 /nfs/dbraw/zinc/50/44/58/606504458.db2.gz LLPULWGDRIESAB-GOSISDBHSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000820016383 606504460 /nfs/dbraw/zinc/50/44/60/606504460.db2.gz LLPULWGDRIESAB-GOSISDBHSA-N -1 3 383.883 3.918 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822241191 606507313 /nfs/dbraw/zinc/50/73/13/606507313.db2.gz NTPMCCLUMLHYNB-UHFFFAOYSA-N -1 3 387.443 3.852 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822241191 606507315 /nfs/dbraw/zinc/50/73/15/606507315.db2.gz NTPMCCLUMLHYNB-UHFFFAOYSA-N -1 3 387.443 3.852 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822236215 606521694 /nfs/dbraw/zinc/52/16/94/606521694.db2.gz OSGJAUJMALSIHU-UHFFFAOYSA-N -1 3 393.472 3.715 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822236215 606521696 /nfs/dbraw/zinc/52/16/96/606521696.db2.gz OSGJAUJMALSIHU-UHFFFAOYSA-N -1 3 393.472 3.715 20 0 GHADHM CCC1(NC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000820966917 606529324 /nfs/dbraw/zinc/52/93/24/606529324.db2.gz IUNIHWWVIDSEQD-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CCC1(NC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000820966917 606529326 /nfs/dbraw/zinc/52/93/26/606529326.db2.gz IUNIHWWVIDSEQD-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820307163 606552259 /nfs/dbraw/zinc/55/22/59/606552259.db2.gz JPUVPEHPLFVJLK-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820307163 606552261 /nfs/dbraw/zinc/55/22/61/606552261.db2.gz JPUVPEHPLFVJLK-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1(C)CC1 ZINC000820308916 606552538 /nfs/dbraw/zinc/55/25/38/606552538.db2.gz ZNZYWYLIGZQCSI-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440060 606564950 /nfs/dbraw/zinc/56/49/50/606564950.db2.gz AUJNWYTYPFEXTP-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440060 606564952 /nfs/dbraw/zinc/56/49/52/606564952.db2.gz AUJNWYTYPFEXTP-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823092809 606587216 /nfs/dbraw/zinc/58/72/16/606587216.db2.gz LSIYBDXAQWLANS-JOCHJYFZSA-N -1 3 397.482 3.552 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823092809 606587218 /nfs/dbraw/zinc/58/72/18/606587218.db2.gz LSIYBDXAQWLANS-JOCHJYFZSA-N -1 3 397.482 3.552 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1nncc2ccccc21 ZINC000822731235 606589900 /nfs/dbraw/zinc/58/99/00/606589900.db2.gz AVWWVTHZRGOBRE-UHFFFAOYSA-N -1 3 386.387 3.704 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1nncc2ccccc21 ZINC000822731235 606589902 /nfs/dbraw/zinc/58/99/02/606589902.db2.gz AVWWVTHZRGOBRE-UHFFFAOYSA-N -1 3 386.387 3.704 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(SC(=O)N(C)C)c1 ZINC000821413241 606596551 /nfs/dbraw/zinc/59/65/51/606596551.db2.gz YJHZPMZKYMFCKT-UHFFFAOYSA-N -1 3 398.492 3.651 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(SC(=O)N(C)C)c1 ZINC000821413241 606596553 /nfs/dbraw/zinc/59/65/53/606596553.db2.gz YJHZPMZKYMFCKT-UHFFFAOYSA-N -1 3 398.492 3.651 20 0 GHADHM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819763738 606612104 /nfs/dbraw/zinc/61/21/04/606612104.db2.gz BQVYDOGKPKSWQY-BENRWUELSA-N -1 3 386.358 3.615 20 0 GHADHM CC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819763738 606612105 /nfs/dbraw/zinc/61/21/05/606612105.db2.gz BQVYDOGKPKSWQY-BENRWUELSA-N -1 3 386.358 3.615 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820674047 606619071 /nfs/dbraw/zinc/61/90/71/606619071.db2.gz AYPZGGKHNJNCRT-LFGHMXSPSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820674047 606619073 /nfs/dbraw/zinc/61/90/73/606619073.db2.gz AYPZGGKHNJNCRT-LFGHMXSPSA-N -1 3 376.420 3.739 20 0 GHADHM O=S(=O)(Cc1ccccc1)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823567893 606622317 /nfs/dbraw/zinc/62/23/17/606622317.db2.gz XECHFVHOXRJFOF-UHFFFAOYSA-N -1 3 390.468 3.649 20 0 GHADHM O=S(=O)(Cc1ccccc1)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823567893 606622319 /nfs/dbraw/zinc/62/23/19/606622319.db2.gz XECHFVHOXRJFOF-UHFFFAOYSA-N -1 3 390.468 3.649 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)Nc1ccc(F)c(F)c1 ZINC000823066277 606630988 /nfs/dbraw/zinc/63/09/88/606630988.db2.gz SOWXXGHDVICDJI-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000823066277 606630991 /nfs/dbraw/zinc/63/09/91/606630991.db2.gz SOWXXGHDVICDJI-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM FC(F)n1ccnc1CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822736588 606639044 /nfs/dbraw/zinc/63/90/44/606639044.db2.gz HMGJHROUWCMBON-UHFFFAOYSA-N -1 3 383.362 3.863 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000822449609 606645865 /nfs/dbraw/zinc/64/58/65/606645865.db2.gz GSRUXIVBSDUMHT-LURJTMIESA-N -1 3 394.913 3.724 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000822449609 606645866 /nfs/dbraw/zinc/64/58/66/606645866.db2.gz GSRUXIVBSDUMHT-LURJTMIESA-N -1 3 394.913 3.724 20 0 GHADHM CCCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)(C)C ZINC000821082151 606660568 /nfs/dbraw/zinc/66/05/68/606660568.db2.gz HFYKRBITZRTLMI-UHFFFAOYSA-N -1 3 380.452 3.705 20 0 GHADHM CCCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)(C)C ZINC000821082151 606660569 /nfs/dbraw/zinc/66/05/69/606660569.db2.gz HFYKRBITZRTLMI-UHFFFAOYSA-N -1 3 380.452 3.705 20 0 GHADHM COc1ccc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C(C)(C)C)c1 ZINC000821839674 606665303 /nfs/dbraw/zinc/66/53/03/606665303.db2.gz WXYIUVILXXBDTI-UHFFFAOYSA-N -1 3 388.374 3.670 20 0 GHADHM COc1ccc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C(C)(C)C)c1 ZINC000821839674 606665304 /nfs/dbraw/zinc/66/53/04/606665304.db2.gz WXYIUVILXXBDTI-UHFFFAOYSA-N -1 3 388.374 3.670 20 0 GHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821220937 606667752 /nfs/dbraw/zinc/66/77/52/606667752.db2.gz GIKVISMSDZLIKI-UHFFFAOYSA-N -1 3 393.397 3.960 20 0 GHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821220937 606667753 /nfs/dbraw/zinc/66/77/53/606667753.db2.gz GIKVISMSDZLIKI-UHFFFAOYSA-N -1 3 393.397 3.960 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820092085 606671082 /nfs/dbraw/zinc/67/10/82/606671082.db2.gz HKIKCEKOJLKXFH-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820092085 606671083 /nfs/dbraw/zinc/67/10/83/606671083.db2.gz HKIKCEKOJLKXFH-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)o1 ZINC000820678269 606671698 /nfs/dbraw/zinc/67/16/98/606671698.db2.gz UOYALVLXKHPSCV-IINYFYTJSA-N -1 3 399.401 3.666 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)o1 ZINC000820678269 606671699 /nfs/dbraw/zinc/67/16/99/606671699.db2.gz UOYALVLXKHPSCV-IINYFYTJSA-N -1 3 399.401 3.666 20 0 GHADHM COc1ccc(N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](C)C2CC2)cc1 ZINC000821827910 606675524 /nfs/dbraw/zinc/67/55/24/606675524.db2.gz MNNVNEALIWDJOF-NSHDSACASA-N -1 3 399.401 3.599 20 0 GHADHM COc1ccc(N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](C)C2CC2)cc1 ZINC000821827910 606675525 /nfs/dbraw/zinc/67/55/25/606675525.db2.gz MNNVNEALIWDJOF-NSHDSACASA-N -1 3 399.401 3.599 20 0 GHADHM COc1ccc(N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](C)C2CC2)cc1 ZINC000821827909 606675549 /nfs/dbraw/zinc/67/55/49/606675549.db2.gz MNNVNEALIWDJOF-LLVKDONJSA-N -1 3 399.401 3.599 20 0 GHADHM COc1ccc(N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](C)C2CC2)cc1 ZINC000821827909 606675550 /nfs/dbraw/zinc/67/55/50/606675550.db2.gz MNNVNEALIWDJOF-LLVKDONJSA-N -1 3 399.401 3.599 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)cc1 ZINC000822234998 606676046 /nfs/dbraw/zinc/67/60/46/606676046.db2.gz OCCCLPGAWBAEIR-OAHLLOKOSA-N -1 3 397.429 3.548 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000822234998 606676047 /nfs/dbraw/zinc/67/60/47/606676047.db2.gz OCCCLPGAWBAEIR-OAHLLOKOSA-N -1 3 397.429 3.548 20 0 GHADHM O=C(Nc1cccc(CCC(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823364078 606687037 /nfs/dbraw/zinc/68/70/37/606687037.db2.gz YLQFXEHKPBHDCP-UHFFFAOYSA-N -1 3 397.307 3.892 20 0 GHADHM O=C(Nc1cccc(CCC(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823364078 606687038 /nfs/dbraw/zinc/68/70/38/606687038.db2.gz YLQFXEHKPBHDCP-UHFFFAOYSA-N -1 3 397.307 3.892 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820038131 606688722 /nfs/dbraw/zinc/68/87/22/606688722.db2.gz LJFAYWVCRVTVKG-LJQANCHMSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820038131 606688723 /nfs/dbraw/zinc/68/87/23/606688723.db2.gz LJFAYWVCRVTVKG-LJQANCHMSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820519384 606727122 /nfs/dbraw/zinc/72/71/22/606727122.db2.gz TUUXSFHAYWZGBY-LLVKDONJSA-N -1 3 395.410 3.535 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820519384 606727125 /nfs/dbraw/zinc/72/71/25/606727125.db2.gz TUUXSFHAYWZGBY-LLVKDONJSA-N -1 3 395.410 3.535 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360318 606743308 /nfs/dbraw/zinc/74/33/08/606743308.db2.gz YDGFFOJEMGENBT-CXAGYDPISA-N -1 3 392.463 3.529 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360318 606743309 /nfs/dbraw/zinc/74/33/09/606743309.db2.gz YDGFFOJEMGENBT-CXAGYDPISA-N -1 3 392.463 3.529 20 0 GHADHM O=C(OCCOc1cccc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823410551 606757909 /nfs/dbraw/zinc/75/79/09/606757909.db2.gz YFCYBQYBUWNODV-UHFFFAOYSA-N -1 3 396.353 3.534 20 0 GHADHM O=C(OCCOc1cccc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823410551 606757910 /nfs/dbraw/zinc/75/79/10/606757910.db2.gz YFCYBQYBUWNODV-UHFFFAOYSA-N -1 3 396.353 3.534 20 0 GHADHM CC(C)(C)c1cnc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000819965365 606786058 /nfs/dbraw/zinc/78/60/58/606786058.db2.gz CYBPYSGOSMTPNG-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM CC(C)(C)c1cnc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000819965365 606786059 /nfs/dbraw/zinc/78/60/59/606786059.db2.gz CYBPYSGOSMTPNG-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC3(CC3)CC2)cc1 ZINC000822136151 606792963 /nfs/dbraw/zinc/79/29/63/606792963.db2.gz JIPKFSKCXBOBGA-UHFFFAOYSA-N -1 3 389.459 3.984 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC3(CC3)CC2)cc1 ZINC000822136151 606792965 /nfs/dbraw/zinc/79/29/65/606792965.db2.gz JIPKFSKCXBOBGA-UHFFFAOYSA-N -1 3 389.459 3.984 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000822138079 606797773 /nfs/dbraw/zinc/79/77/73/606797773.db2.gz ZPZZPQZGAYSLOG-HIFRSBDPSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000822138079 606797774 /nfs/dbraw/zinc/79/77/74/606797774.db2.gz ZPZZPQZGAYSLOG-HIFRSBDPSA-N -1 3 377.448 3.838 20 0 GHADHM CCOc1cccc(CNc2cccc(F)c2-c2nnn[n-]2)c1OC(F)F ZINC000821431598 606799273 /nfs/dbraw/zinc/79/92/73/606799273.db2.gz XCFSGZHJICINPJ-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CCOc1cccc(CNc2cccc(F)c2-c2nn[n-]n2)c1OC(F)F ZINC000821431598 606799275 /nfs/dbraw/zinc/79/92/75/606799275.db2.gz XCFSGZHJICINPJ-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C(C)C)n1 ZINC000820087766 606802332 /nfs/dbraw/zinc/80/23/32/606802332.db2.gz ZLDYLNKRXZIVBM-UHFFFAOYSA-N -1 3 378.480 3.684 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C(C)C)n1 ZINC000820087766 606802334 /nfs/dbraw/zinc/80/23/34/606802334.db2.gz ZLDYLNKRXZIVBM-UHFFFAOYSA-N -1 3 378.480 3.684 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCSC3)c2-c2nnn[n-]2)C1 ZINC000819906302 606809133 /nfs/dbraw/zinc/80/91/33/606809133.db2.gz DRAFUTWWTTVFJS-QWRGUYRKSA-N -1 3 391.566 3.771 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCSC3)c2-c2nn[n-]n2)C1 ZINC000819906302 606809134 /nfs/dbraw/zinc/80/91/34/606809134.db2.gz DRAFUTWWTTVFJS-QWRGUYRKSA-N -1 3 391.566 3.771 20 0 GHADHM CC(C)(CNC(=O)c1sccc1-c1nnn[n-]1)Cc1cccc(Cl)c1 ZINC000819984636 606809952 /nfs/dbraw/zinc/80/99/52/606809952.db2.gz ZZJAJRWDEVFULU-UHFFFAOYSA-N -1 3 375.885 3.580 20 0 GHADHM CC(C)(CNC(=O)c1sccc1-c1nn[n-]n1)Cc1cccc(Cl)c1 ZINC000819984636 606809954 /nfs/dbraw/zinc/80/99/54/606809954.db2.gz ZZJAJRWDEVFULU-UHFFFAOYSA-N -1 3 375.885 3.580 20 0 GHADHM C[C@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)no1 ZINC000820548650 606827987 /nfs/dbraw/zinc/82/79/87/606827987.db2.gz DTFNDCVKVFDDOS-ZDUSSCGKSA-N -1 3 394.460 3.790 20 0 GHADHM C[C@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000820548650 606827988 /nfs/dbraw/zinc/82/79/88/606827988.db2.gz DTFNDCVKVFDDOS-ZDUSSCGKSA-N -1 3 394.460 3.790 20 0 GHADHM c1coc(-c2cc(CSCCCOc3cccc(-c4nnn[n-]4)c3)no2)c1 ZINC000823762173 606841589 /nfs/dbraw/zinc/84/15/89/606841589.db2.gz LIAQTVFZZWCPRR-UHFFFAOYSA-N -1 3 383.433 3.817 20 0 GHADHM c1coc(-c2cc(CSCCCOc3cccc(-c4nn[n-]n4)c3)no2)c1 ZINC000823762173 606841591 /nfs/dbraw/zinc/84/15/91/606841591.db2.gz LIAQTVFZZWCPRR-UHFFFAOYSA-N -1 3 383.433 3.817 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3F)c2-c2nnn[n-]2)C1 ZINC000820735674 606841907 /nfs/dbraw/zinc/84/19/07/606841907.db2.gz USXRIIGXNKDGBA-SSDOTTSWSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3F)c2-c2nn[n-]n2)C1 ZINC000820735674 606841909 /nfs/dbraw/zinc/84/19/09/606841909.db2.gz USXRIIGXNKDGBA-SSDOTTSWSA-N -1 3 393.394 3.723 20 0 GHADHM O=C(c1ccc(F)c(F)c1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823488857 606849035 /nfs/dbraw/zinc/84/90/35/606849035.db2.gz WFGPFTKUDBEAPK-UHFFFAOYSA-N -1 3 399.332 3.724 20 0 GHADHM O=C(c1ccc(F)c(F)c1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823488857 606849037 /nfs/dbraw/zinc/84/90/37/606849037.db2.gz WFGPFTKUDBEAPK-UHFFFAOYSA-N -1 3 399.332 3.724 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820648492 606849071 /nfs/dbraw/zinc/84/90/71/606849071.db2.gz ALRYPQHUWCYWSQ-UTUOFQBUSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820648492 606849073 /nfs/dbraw/zinc/84/90/73/606849073.db2.gz ALRYPQHUWCYWSQ-UTUOFQBUSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000820548555 606851140 /nfs/dbraw/zinc/85/11/40/606851140.db2.gz CAVGAAZQBFIKRH-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000820548555 606851141 /nfs/dbraw/zinc/85/11/41/606851141.db2.gz CAVGAAZQBFIKRH-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM Fc1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c2c(c1)COCO2 ZINC000822753133 606854196 /nfs/dbraw/zinc/85/41/96/606854196.db2.gz FYCUYWHMACGTKV-UHFFFAOYSA-N -1 3 378.816 3.818 20 0 GHADHM Fc1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c2c(c1)COCO2 ZINC000822753133 606854197 /nfs/dbraw/zinc/85/41/97/606854197.db2.gz FYCUYWHMACGTKV-UHFFFAOYSA-N -1 3 378.816 3.818 20 0 GHADHM CCN(C(=O)COC/C=C/c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154733 606871745 /nfs/dbraw/zinc/87/17/45/606871745.db2.gz QULVWJAEAVPMLW-JEJOPICUSA-N -1 3 391.475 3.506 20 0 GHADHM CCN(C(=O)COC/C=C/c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154733 606871747 /nfs/dbraw/zinc/87/17/47/606871747.db2.gz QULVWJAEAVPMLW-JEJOPICUSA-N -1 3 391.475 3.506 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000822220166 606871992 /nfs/dbraw/zinc/87/19/92/606871992.db2.gz GKFNFWWIDPUCKY-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000822220166 606871993 /nfs/dbraw/zinc/87/19/93/606871993.db2.gz GKFNFWWIDPUCKY-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](Nc2ccccc2)C1 ZINC000822331276 606875151 /nfs/dbraw/zinc/87/51/51/606875151.db2.gz BJHYWQYRHZQCSU-QGZVFWFLSA-N -1 3 385.475 3.804 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](Nc2ccccc2)C1 ZINC000822331276 606875152 /nfs/dbraw/zinc/87/51/52/606875152.db2.gz BJHYWQYRHZQCSU-QGZVFWFLSA-N -1 3 385.475 3.804 20 0 GHADHM C[C@H](CNc1ccccc1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820281220 606915283 /nfs/dbraw/zinc/91/52/83/606915283.db2.gz UDISRVYGHADZTF-MRXNPFEDSA-N -1 3 398.470 3.764 20 0 GHADHM C[C@H](CNc1ccccc1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820281220 606915284 /nfs/dbraw/zinc/91/52/84/606915284.db2.gz UDISRVYGHADZTF-MRXNPFEDSA-N -1 3 398.470 3.764 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821469563 606936608 /nfs/dbraw/zinc/93/66/08/606936608.db2.gz FOXXEIYYXMXKOC-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821469563 606936609 /nfs/dbraw/zinc/93/66/09/606936609.db2.gz FOXXEIYYXMXKOC-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820051105 606940866 /nfs/dbraw/zinc/94/08/66/606940866.db2.gz LEIJQZOOPHCVFN-FQEVSTJZSA-N -1 3 393.516 3.741 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820051105 606940867 /nfs/dbraw/zinc/94/08/67/606940867.db2.gz LEIJQZOOPHCVFN-FQEVSTJZSA-N -1 3 393.516 3.741 20 0 GHADHM Cc1nc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)oc1-c1ccc(Cl)cc1 ZINC000822427819 606950142 /nfs/dbraw/zinc/95/01/42/606950142.db2.gz WCUZRFYKTGWKFA-SNVBAGLBSA-N -1 3 398.810 3.730 20 0 GHADHM Cc1nc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)oc1-c1ccc(Cl)cc1 ZINC000822427819 606950144 /nfs/dbraw/zinc/95/01/44/606950144.db2.gz WCUZRFYKTGWKFA-SNVBAGLBSA-N -1 3 398.810 3.730 20 0 GHADHM C[C@]1(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCCS1 ZINC000820618446 606954355 /nfs/dbraw/zinc/95/43/55/606954355.db2.gz DRNWJYBEOSXOOI-HXUWFJFHSA-N -1 3 379.489 3.549 20 0 GHADHM C[C@]1(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCCS1 ZINC000820618446 606954357 /nfs/dbraw/zinc/95/43/57/606954357.db2.gz DRNWJYBEOSXOOI-HXUWFJFHSA-N -1 3 379.489 3.549 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)O1 ZINC000820675445 606956906 /nfs/dbraw/zinc/95/69/06/606956906.db2.gz JDLMSZYUENWQMG-ACJLOTCBSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)O1 ZINC000820675445 606956907 /nfs/dbraw/zinc/95/69/07/606956907.db2.gz JDLMSZYUENWQMG-ACJLOTCBSA-N -1 3 397.866 3.621 20 0 GHADHM CN(C(=O)CSc1ccc(Cl)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570720 606959111 /nfs/dbraw/zinc/95/91/11/606959111.db2.gz ICELPHDTUIYKCV-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)CSc1ccc(Cl)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570720 606959113 /nfs/dbraw/zinc/95/91/13/606959113.db2.gz ICELPHDTUIYKCV-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569315 606960706 /nfs/dbraw/zinc/96/07/06/606960706.db2.gz FUMNNIYPXGQBBB-JSGCOSHPSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569315 606960707 /nfs/dbraw/zinc/96/07/07/606960707.db2.gz FUMNNIYPXGQBBB-JSGCOSHPSA-N -1 3 389.793 3.565 20 0 GHADHM CC(C)OCc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000820146581 606962299 /nfs/dbraw/zinc/96/22/99/606962299.db2.gz OJNMGZWJIXLKAV-UHFFFAOYSA-N -1 3 385.855 3.722 20 0 GHADHM CC(C)OCc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000820146581 606962302 /nfs/dbraw/zinc/96/23/02/606962302.db2.gz OJNMGZWJIXLKAV-UHFFFAOYSA-N -1 3 385.855 3.722 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1C ZINC000822020387 606980404 /nfs/dbraw/zinc/98/04/04/606980404.db2.gz BPCZYLROXHTLEL-UHFFFAOYSA-N -1 3 388.468 3.522 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1C ZINC000822020387 606980406 /nfs/dbraw/zinc/98/04/06/606980406.db2.gz BPCZYLROXHTLEL-UHFFFAOYSA-N -1 3 388.468 3.522 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353036 606984965 /nfs/dbraw/zinc/98/49/65/606984965.db2.gz XHQNOKJSCVMJCI-NEPJUHHUSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353036 606984966 /nfs/dbraw/zinc/98/49/66/606984966.db2.gz XHQNOKJSCVMJCI-NEPJUHHUSA-N -1 3 398.417 3.535 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(C(F)(F)F)c1 ZINC000820005598 606985162 /nfs/dbraw/zinc/98/51/62/606985162.db2.gz TWAVVAMEYYOZTJ-UHFFFAOYSA-N -1 3 392.337 3.649 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(C(F)(F)F)c1 ZINC000820005598 606985163 /nfs/dbraw/zinc/98/51/63/606985163.db2.gz TWAVVAMEYYOZTJ-UHFFFAOYSA-N -1 3 392.337 3.649 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000823421601 606992722 /nfs/dbraw/zinc/99/27/22/606992722.db2.gz DPQREDLNQFOACX-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000823421601 606992723 /nfs/dbraw/zinc/99/27/23/606992723.db2.gz DPQREDLNQFOACX-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822263039 606992742 /nfs/dbraw/zinc/99/27/42/606992742.db2.gz IBVZIMFDXHAHCV-CQSZACIVSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822263039 606992745 /nfs/dbraw/zinc/99/27/45/606992745.db2.gz IBVZIMFDXHAHCV-CQSZACIVSA-N -1 3 399.882 3.865 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000823422419 606998990 /nfs/dbraw/zinc/99/89/90/606998990.db2.gz UWCLBHSPBJKTGB-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000823422419 606998991 /nfs/dbraw/zinc/99/89/91/606998991.db2.gz UWCLBHSPBJKTGB-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819965860 607001285 /nfs/dbraw/zinc/00/12/85/607001285.db2.gz PWIIIYZCIFBYAZ-FNORWQNLSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819965860 607001287 /nfs/dbraw/zinc/00/12/87/607001287.db2.gz PWIIIYZCIFBYAZ-FNORWQNLSA-N -1 3 387.440 3.516 20 0 GHADHM Cc1cc2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)n2c2ccccc12 ZINC000822212852 607005484 /nfs/dbraw/zinc/00/54/84/607005484.db2.gz KBSJMONDLWBSHI-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM Cc1cc2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)n2c2ccccc12 ZINC000822212852 607005486 /nfs/dbraw/zinc/00/54/86/607005486.db2.gz KBSJMONDLWBSHI-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000822221187 607028100 /nfs/dbraw/zinc/02/81/00/607028100.db2.gz DSAPNLVMFFXJNM-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000822221187 607028101 /nfs/dbraw/zinc/02/81/01/607028101.db2.gz DSAPNLVMFFXJNM-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000820380157 607035715 /nfs/dbraw/zinc/03/57/15/607035715.db2.gz MESHPLNWWCHHFO-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000820380157 607035717 /nfs/dbraw/zinc/03/57/17/607035717.db2.gz MESHPLNWWCHHFO-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)cc1 ZINC000822263232 607040057 /nfs/dbraw/zinc/04/00/57/607040057.db2.gz JSMCMMSTWHGRFY-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)cc1 ZINC000822263232 607040058 /nfs/dbraw/zinc/04/00/58/607040058.db2.gz JSMCMMSTWHGRFY-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000821118324 607042813 /nfs/dbraw/zinc/04/28/13/607042813.db2.gz LHTIHMRJGZZVII-OAHLLOKOSA-N -1 3 394.504 3.907 20 0 GHADHM CCS[C@@H](C)c1noc(CN(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449603 607068171 /nfs/dbraw/zinc/06/81/71/607068171.db2.gz VOKRSIGXFMYXDB-STQMWFEESA-N -1 3 387.513 3.647 20 0 GHADHM CCS[C@@H](C)c1noc(CN(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449603 607068173 /nfs/dbraw/zinc/06/81/73/607068173.db2.gz VOKRSIGXFMYXDB-STQMWFEESA-N -1 3 387.513 3.647 20 0 GHADHM Cc1nc2cc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)ccc2o1 ZINC000822459788 607073783 /nfs/dbraw/zinc/07/37/83/607073783.db2.gz WPBGVTSLVXGCOC-UHFFFAOYSA-N -1 3 391.435 3.759 20 0 GHADHM Cc1nc2cc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)ccc2o1 ZINC000822459788 607073785 /nfs/dbraw/zinc/07/37/85/607073785.db2.gz WPBGVTSLVXGCOC-UHFFFAOYSA-N -1 3 391.435 3.759 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ncoc1-c1ccccc1Cl ZINC000823418382 607086515 /nfs/dbraw/zinc/08/65/15/607086515.db2.gz QNOZUAQSCYMXMA-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ncoc1-c1ccccc1Cl ZINC000823418382 607086516 /nfs/dbraw/zinc/08/65/16/607086516.db2.gz QNOZUAQSCYMXMA-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000821294515 607100671 /nfs/dbraw/zinc/10/06/71/607100671.db2.gz ULFCNAUVFZRJLS-RYUDHWBXSA-N -1 3 382.390 3.606 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000821309952 607102314 /nfs/dbraw/zinc/10/23/14/607102314.db2.gz VEBIRVUEOCAKKP-UHFFFAOYSA-N -1 3 397.489 3.736 20 0 GHADHM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823139467 607133817 /nfs/dbraw/zinc/13/38/17/607133817.db2.gz FMZKAANWIKSBBH-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823139467 607133818 /nfs/dbraw/zinc/13/38/18/607133818.db2.gz FMZKAANWIKSBBH-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000823040543 607135303 /nfs/dbraw/zinc/13/53/03/607135303.db2.gz MZBUROXGGUYPRM-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000823040543 607135305 /nfs/dbraw/zinc/13/53/05/607135305.db2.gz MZBUROXGGUYPRM-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1Br ZINC000823387592 607151404 /nfs/dbraw/zinc/15/14/04/607151404.db2.gz PYUSVRZPOSNYTP-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1Br ZINC000823387592 607151405 /nfs/dbraw/zinc/15/14/05/607151405.db2.gz PYUSVRZPOSNYTP-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](CC)OC1CCCCC1 ZINC000821100258 607153937 /nfs/dbraw/zinc/15/39/37/607153937.db2.gz WUXZOFIKFBDRNE-LJQANCHMSA-N -1 3 385.512 3.733 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](CC)OC1CCCCC1 ZINC000821100258 607153939 /nfs/dbraw/zinc/15/39/39/607153939.db2.gz WUXZOFIKFBDRNE-LJQANCHMSA-N -1 3 385.512 3.733 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)sc2Br)s1 ZINC000821465639 607157126 /nfs/dbraw/zinc/15/71/26/607157126.db2.gz LSMLKWNJOGEKGI-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)sc2Br)s1 ZINC000821465639 607157127 /nfs/dbraw/zinc/15/71/27/607157127.db2.gz LSMLKWNJOGEKGI-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821015373 607164382 /nfs/dbraw/zinc/16/43/82/607164382.db2.gz PMKDLRZPTMFYKT-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821015373 607164384 /nfs/dbraw/zinc/16/43/84/607164384.db2.gz PMKDLRZPTMFYKT-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM Fc1cc(OCc2nc3cc(C(F)(F)F)ccc3o2)ccc1-c1nnn[n-]1 ZINC000822753262 607169071 /nfs/dbraw/zinc/16/90/71/607169071.db2.gz KYEMNCIDRHBOTR-UHFFFAOYSA-N -1 3 379.273 3.745 20 0 GHADHM Fc1cc(OCc2nc3cc(C(F)(F)F)ccc3o2)ccc1-c1nn[n-]n1 ZINC000822753262 607169072 /nfs/dbraw/zinc/16/90/72/607169072.db2.gz KYEMNCIDRHBOTR-UHFFFAOYSA-N -1 3 379.273 3.745 20 0 GHADHM COc1ccc(-c2noc([C@H](C)SCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821765376 607172301 /nfs/dbraw/zinc/17/23/01/607172301.db2.gz BWEVOKNUXHADFM-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2noc([C@H](C)SCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765376 607172302 /nfs/dbraw/zinc/17/23/02/607172302.db2.gz BWEVOKNUXHADFM-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM C/C=C/c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000820833207 607188774 /nfs/dbraw/zinc/18/87/74/607188774.db2.gz TZHFPNQGOBOIAK-ONEGZZNKSA-N -1 3 399.838 3.579 20 0 GHADHM C/C=C/c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000820833207 607188775 /nfs/dbraw/zinc/18/87/75/607188775.db2.gz TZHFPNQGOBOIAK-ONEGZZNKSA-N -1 3 399.838 3.579 20 0 GHADHM CCn1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000821565300 607189729 /nfs/dbraw/zinc/18/97/29/607189729.db2.gz MXOSFFMSLICUCP-UHFFFAOYSA-N -1 3 380.839 3.676 20 0 GHADHM CCn1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000821565300 607189730 /nfs/dbraw/zinc/18/97/30/607189730.db2.gz MXOSFFMSLICUCP-UHFFFAOYSA-N -1 3 380.839 3.676 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823315015 607191244 /nfs/dbraw/zinc/19/12/44/607191244.db2.gz WLDWWVSFGADEPF-JQWIXIFHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823315015 607191245 /nfs/dbraw/zinc/19/12/45/607191245.db2.gz WLDWWVSFGADEPF-JQWIXIFHSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1cccc(CC2CN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000822299557 607196763 /nfs/dbraw/zinc/19/67/63/607196763.db2.gz MTPSHGUREWEWJL-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1cccc(CC2CN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000822299557 607196764 /nfs/dbraw/zinc/19/67/64/607196764.db2.gz MTPSHGUREWEWJL-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1ccc(SCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822271008 607199455 /nfs/dbraw/zinc/19/94/55/607199455.db2.gz IKDVTOUMNJYZQI-UHFFFAOYSA-N -1 3 388.884 3.742 20 0 GHADHM Cc1ccc(SCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822271008 607199456 /nfs/dbraw/zinc/19/94/56/607199456.db2.gz IKDVTOUMNJYZQI-UHFFFAOYSA-N -1 3 388.884 3.742 20 0 GHADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821872118 607201760 /nfs/dbraw/zinc/20/17/60/607201760.db2.gz IZVOIUBXSOKQQS-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821872118 607201761 /nfs/dbraw/zinc/20/17/61/607201761.db2.gz IZVOIUBXSOKQQS-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820945308 607203305 /nfs/dbraw/zinc/20/33/05/607203305.db2.gz QZLQVOVUAGKRII-MRXNPFEDSA-N -1 3 385.859 3.920 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820945308 607203306 /nfs/dbraw/zinc/20/33/06/607203306.db2.gz QZLQVOVUAGKRII-MRXNPFEDSA-N -1 3 385.859 3.920 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822232821 607242881 /nfs/dbraw/zinc/24/28/81/607242881.db2.gz BMWVUACVLNHSFE-YJBOKZPZSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822232821 607242882 /nfs/dbraw/zinc/24/28/82/607242882.db2.gz BMWVUACVLNHSFE-YJBOKZPZSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1-n1cccc1 ZINC000822226356 607243757 /nfs/dbraw/zinc/24/37/57/607243757.db2.gz OBQVTIVNBUUYJD-UHFFFAOYSA-N -1 3 378.823 3.872 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1-n1cccc1 ZINC000822226356 607243758 /nfs/dbraw/zinc/24/37/58/607243758.db2.gz OBQVTIVNBUUYJD-UHFFFAOYSA-N -1 3 378.823 3.872 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000823450443 607245693 /nfs/dbraw/zinc/24/56/93/607245693.db2.gz QWKQXZFLNUSTTB-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000823450443 607245694 /nfs/dbraw/zinc/24/56/94/607245694.db2.gz QWKQXZFLNUSTTB-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822955334 607246622 /nfs/dbraw/zinc/24/66/22/607246622.db2.gz QKFNEBPHZFIWDD-UHFFFAOYSA-N -1 3 397.435 3.934 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822955334 607246623 /nfs/dbraw/zinc/24/66/23/607246623.db2.gz QKFNEBPHZFIWDD-UHFFFAOYSA-N -1 3 397.435 3.934 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826451393 607774897 /nfs/dbraw/zinc/77/48/97/607774897.db2.gz FCMGHQNYKYEVNG-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826451393 607774898 /nfs/dbraw/zinc/77/48/98/607774898.db2.gz FCMGHQNYKYEVNG-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824457255 607787820 /nfs/dbraw/zinc/78/78/20/607787820.db2.gz IGKVRYHRFUIYHJ-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824457255 607787821 /nfs/dbraw/zinc/78/78/21/607787821.db2.gz IGKVRYHRFUIYHJ-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1-c1nnn[n-]1 ZINC000825833825 607788343 /nfs/dbraw/zinc/78/83/43/607788343.db2.gz MFVRLMFAGQVAHX-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1-c1nn[n-]n1 ZINC000825833825 607788344 /nfs/dbraw/zinc/78/83/44/607788344.db2.gz MFVRLMFAGQVAHX-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM Cc1cc(Cl)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826267417 607791758 /nfs/dbraw/zinc/79/17/58/607791758.db2.gz DZJCDUACHBZYRN-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824491626 607793505 /nfs/dbraw/zinc/79/35/05/607793505.db2.gz VZCXXDMUVQICRA-MRXNPFEDSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824491626 607793506 /nfs/dbraw/zinc/79/35/06/607793506.db2.gz VZCXXDMUVQICRA-MRXNPFEDSA-N -1 3 390.491 3.691 20 0 GHADHM CCN(C(=O)CCCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371961 607796583 /nfs/dbraw/zinc/79/65/83/607796583.db2.gz OSGRFBXZBCDPHH-UHFFFAOYSA-N -1 3 385.855 3.732 20 0 GHADHM CCN(C(=O)CCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371961 607796584 /nfs/dbraw/zinc/79/65/84/607796584.db2.gz OSGRFBXZBCDPHH-UHFFFAOYSA-N -1 3 385.855 3.732 20 0 GHADHM CCN(C(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372449 607797597 /nfs/dbraw/zinc/79/75/97/607797597.db2.gz YZAMYCAODDLHJQ-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372449 607797598 /nfs/dbraw/zinc/79/75/98/607797598.db2.gz YZAMYCAODDLHJQ-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385524 607797666 /nfs/dbraw/zinc/79/76/66/607797666.db2.gz JHUKPNBKQNAQDR-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385524 607797667 /nfs/dbraw/zinc/79/76/67/607797667.db2.gz JHUKPNBKQNAQDR-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385949 607799684 /nfs/dbraw/zinc/79/96/84/607799684.db2.gz WITIEHDUTGSNEH-UHFFFAOYSA-N -1 3 399.458 3.696 20 0 GHADHM CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385949 607799685 /nfs/dbraw/zinc/79/96/85/607799685.db2.gz WITIEHDUTGSNEH-UHFFFAOYSA-N -1 3 399.458 3.696 20 0 GHADHM CCN(C(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385667 607800231 /nfs/dbraw/zinc/80/02/31/607800231.db2.gz PWGXKMPHVKCKAD-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CCN(C(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385667 607800232 /nfs/dbraw/zinc/80/02/32/607800232.db2.gz PWGXKMPHVKCKAD-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825195770 607844606 /nfs/dbraw/zinc/84/46/06/607844606.db2.gz YUEZZLVKBBTQFI-AAEUAGOBSA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825195770 607844607 /nfs/dbraw/zinc/84/46/07/607844607.db2.gz YUEZZLVKBBTQFI-AAEUAGOBSA-N -1 3 379.917 3.792 20 0 GHADHM Cc1sc(NC(=O)c2ccc(C)cc2Br)c(-c2nnn[n-]2)c1C ZINC000826282480 607861685 /nfs/dbraw/zinc/86/16/85/607861685.db2.gz QGCHLYWWOJAEGD-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2ccc(C)cc2Br)c(-c2nn[n-]n2)c1C ZINC000826282480 607861686 /nfs/dbraw/zinc/86/16/86/607861686.db2.gz QGCHLYWWOJAEGD-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1cccc(Cl)c1 ZINC000825609307 607872382 /nfs/dbraw/zinc/87/23/82/607872382.db2.gz JKYSHTYSHWRWJE-CQSZACIVSA-N -1 3 395.246 3.685 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1cccc(Cl)c1 ZINC000825609307 607872383 /nfs/dbraw/zinc/87/23/83/607872383.db2.gz JKYSHTYSHWRWJE-CQSZACIVSA-N -1 3 395.246 3.685 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362918 607878676 /nfs/dbraw/zinc/87/86/76/607878676.db2.gz SPOGBHZFLKKDRT-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362918 607878677 /nfs/dbraw/zinc/87/86/77/607878677.db2.gz SPOGBHZFLKKDRT-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826323371 607913048 /nfs/dbraw/zinc/91/30/48/607913048.db2.gz BAMKPICRQNMCOL-SNVBAGLBSA-N -1 3 376.511 3.650 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826323371 607913049 /nfs/dbraw/zinc/91/30/49/607913049.db2.gz BAMKPICRQNMCOL-SNVBAGLBSA-N -1 3 376.511 3.650 20 0 GHADHM Cc1ccnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)n1 ZINC000826308464 607925613 /nfs/dbraw/zinc/92/56/13/607925613.db2.gz AFSQNBIOEKYFFT-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1ccnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)n1 ZINC000826308464 607925614 /nfs/dbraw/zinc/92/56/14/607925614.db2.gz AFSQNBIOEKYFFT-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc2c1CN(c1ccccn1)C2 ZINC000826371477 607939547 /nfs/dbraw/zinc/93/95/47/607939547.db2.gz HRJJBWYUVIETBX-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc2c1CN(c1ccccn1)C2 ZINC000826371477 607939548 /nfs/dbraw/zinc/93/95/48/607939548.db2.gz HRJJBWYUVIETBX-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826418454 607948167 /nfs/dbraw/zinc/94/81/67/607948167.db2.gz HOFWNZYTLHOIDX-UHFFFAOYSA-N -1 3 397.438 3.502 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826418454 607948168 /nfs/dbraw/zinc/94/81/68/607948168.db2.gz HOFWNZYTLHOIDX-UHFFFAOYSA-N -1 3 397.438 3.502 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cncc2ccccc21 ZINC000826512381 607968565 /nfs/dbraw/zinc/96/85/65/607968565.db2.gz YPBWLKBVGBHHGS-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cncc2ccccc21 ZINC000826512381 607968566 /nfs/dbraw/zinc/96/85/66/607968566.db2.gz YPBWLKBVGBHHGS-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM COc1ccc(COc2ccc(Oc3nccs3)cc2)cc1-c1nnn[n-]1 ZINC000826207098 607973625 /nfs/dbraw/zinc/97/36/25/607973625.db2.gz AAMGOSBCGFDNQP-UHFFFAOYSA-N -1 3 381.417 3.703 20 0 GHADHM COc1ccc(COc2ccc(Oc3nccs3)cc2)cc1-c1nn[n-]n1 ZINC000826207098 607973626 /nfs/dbraw/zinc/97/36/26/607973626.db2.gz AAMGOSBCGFDNQP-UHFFFAOYSA-N -1 3 381.417 3.703 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnn(Cc2ccccc2)c1 ZINC000825353515 607974896 /nfs/dbraw/zinc/97/48/96/607974896.db2.gz YCQJWWNPYPFZIC-UHFFFAOYSA-N -1 3 384.447 3.538 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnn(Cc2ccccc2)c1 ZINC000825353515 607974897 /nfs/dbraw/zinc/97/48/97/607974897.db2.gz YCQJWWNPYPFZIC-UHFFFAOYSA-N -1 3 384.447 3.538 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(Br)ccc1OC ZINC000825782769 607975280 /nfs/dbraw/zinc/97/52/80/607975280.db2.gz OLYURFBNURFUGJ-UHFFFAOYSA-N -1 3 399.252 3.674 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(Br)ccc1OC ZINC000825782769 607975281 /nfs/dbraw/zinc/97/52/81/607975281.db2.gz OLYURFBNURFUGJ-UHFFFAOYSA-N -1 3 399.252 3.674 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1CCC(F)(F)F ZINC000826278756 607980881 /nfs/dbraw/zinc/98/08/81/607980881.db2.gz QXLLEORPICVUKJ-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1CCC(F)(F)F ZINC000826278756 607980882 /nfs/dbraw/zinc/98/08/82/607980882.db2.gz QXLLEORPICVUKJ-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280160 608053944 /nfs/dbraw/zinc/05/39/44/608053944.db2.gz FHCIXBJVIQIIIR-INIZCTEOSA-N -1 3 377.492 3.827 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280160 608053945 /nfs/dbraw/zinc/05/39/45/608053945.db2.gz FHCIXBJVIQIIIR-INIZCTEOSA-N -1 3 377.492 3.827 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000825318970 608054096 /nfs/dbraw/zinc/05/40/96/608054096.db2.gz VCDNOQANGFXEKA-UHFFFAOYSA-N -1 3 399.445 3.906 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000825318970 608054097 /nfs/dbraw/zinc/05/40/97/608054097.db2.gz VCDNOQANGFXEKA-UHFFFAOYSA-N -1 3 399.445 3.906 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824945504 608059229 /nfs/dbraw/zinc/05/92/29/608059229.db2.gz DDLLBNLHRBZODD-GFCCVEGCSA-N -1 3 383.839 3.937 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824945504 608059230 /nfs/dbraw/zinc/05/92/30/608059230.db2.gz DDLLBNLHRBZODD-GFCCVEGCSA-N -1 3 383.839 3.937 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc([C@@H]2CCOC2)c1 ZINC000826460692 608059295 /nfs/dbraw/zinc/05/92/95/608059295.db2.gz NDGKZJAVLXJZNH-CQSZACIVSA-N -1 3 395.488 3.563 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc([C@@H]2CCOC2)c1 ZINC000826460692 608059296 /nfs/dbraw/zinc/05/92/96/608059296.db2.gz NDGKZJAVLXJZNH-CQSZACIVSA-N -1 3 395.488 3.563 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825159077 608067086 /nfs/dbraw/zinc/06/70/86/608067086.db2.gz IKVQZNIQAQJTJO-RTBURBONSA-N -1 3 385.418 3.670 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825159077 608067087 /nfs/dbraw/zinc/06/70/87/608067087.db2.gz IKVQZNIQAQJTJO-RTBURBONSA-N -1 3 385.418 3.670 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825114118 608084002 /nfs/dbraw/zinc/08/40/02/608084002.db2.gz JURIRGVBHWQPMH-FXAWDEMLSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825114118 608084003 /nfs/dbraw/zinc/08/40/03/608084003.db2.gz JURIRGVBHWQPMH-FXAWDEMLSA-N -1 3 397.523 3.763 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826429727 608087324 /nfs/dbraw/zinc/08/73/24/608087324.db2.gz LOXNTCZXVMFEQO-UHFFFAOYSA-N -1 3 398.417 3.918 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824498196 608100138 /nfs/dbraw/zinc/10/01/38/608100138.db2.gz DFZGTKUAIHLDOP-NJSLBKSFSA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824498196 608100139 /nfs/dbraw/zinc/10/01/39/608100139.db2.gz DFZGTKUAIHLDOP-NJSLBKSFSA-N -1 3 376.464 3.551 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082817 608102487 /nfs/dbraw/zinc/10/24/87/608102487.db2.gz WBEKUZIOKCINMO-BSYHEUMXSA-N -1 3 377.452 3.564 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082817 608102488 /nfs/dbraw/zinc/10/24/88/608102488.db2.gz WBEKUZIOKCINMO-BSYHEUMXSA-N -1 3 377.452 3.564 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500876 608105534 /nfs/dbraw/zinc/10/55/34/608105534.db2.gz ZVAVYCIGHUSMKK-LBPRGKRZSA-N -1 3 398.417 3.585 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500876 608105535 /nfs/dbraw/zinc/10/55/35/608105535.db2.gz ZVAVYCIGHUSMKK-LBPRGKRZSA-N -1 3 398.417 3.585 20 0 GHADHM Brc1ccc2nc(CSc3ccc(-c4nnn[n-]4)cc3)cn2c1 ZINC000823832544 608110859 /nfs/dbraw/zinc/11/08/59/608110859.db2.gz QPMNECZJTBWMGY-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1ccc2nc(CSc3ccc(-c4nn[n-]n4)cc3)cn2c1 ZINC000823832544 608110860 /nfs/dbraw/zinc/11/08/60/608110860.db2.gz QPMNECZJTBWMGY-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824371849 608113825 /nfs/dbraw/zinc/11/38/25/608113825.db2.gz VUBKWYIHCJJQEN-UHFFFAOYSA-N -1 3 393.476 3.549 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824371849 608113826 /nfs/dbraw/zinc/11/38/26/608113826.db2.gz VUBKWYIHCJJQEN-UHFFFAOYSA-N -1 3 393.476 3.549 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826297836 608163471 /nfs/dbraw/zinc/16/34/71/608163471.db2.gz UTHKSXGSFHXJQM-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826297836 608163474 /nfs/dbraw/zinc/16/34/74/608163474.db2.gz UTHKSXGSFHXJQM-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H](C)c1ccccc1F ZINC000825789268 608175571 /nfs/dbraw/zinc/17/55/71/608175571.db2.gz XZLKSNXGBCPJRA-LBPRGKRZSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H](C)c1ccccc1F ZINC000825789268 608175572 /nfs/dbraw/zinc/17/55/72/608175572.db2.gz XZLKSNXGBCPJRA-LBPRGKRZSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc2ccccc2s1 ZINC000825792554 608179095 /nfs/dbraw/zinc/17/90/95/608179095.db2.gz ACCNSBGUMHWVII-UHFFFAOYSA-N -1 3 389.444 3.703 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc2ccccc2s1 ZINC000825792554 608179096 /nfs/dbraw/zinc/17/90/96/608179096.db2.gz ACCNSBGUMHWVII-UHFFFAOYSA-N -1 3 389.444 3.703 20 0 GHADHM COc1ccc(C2(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000826190141 608182437 /nfs/dbraw/zinc/18/24/37/608182437.db2.gz QSZIYXJFGMHIDK-AWEZNQCLSA-N -1 3 378.432 3.601 20 0 GHADHM COc1ccc(C2(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000826190141 608182438 /nfs/dbraw/zinc/18/24/38/608182438.db2.gz QSZIYXJFGMHIDK-AWEZNQCLSA-N -1 3 378.432 3.601 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000824757161 608206034 /nfs/dbraw/zinc/20/60/34/608206034.db2.gz TTWRFUWMRDTKKD-GMXVVIOVSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000824757161 608206036 /nfs/dbraw/zinc/20/60/36/608206036.db2.gz TTWRFUWMRDTKKD-GMXVVIOVSA-N -1 3 379.917 3.696 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826480287 608224188 /nfs/dbraw/zinc/22/41/88/608224188.db2.gz WUWYYZYOKUCHNW-UHFFFAOYSA-N -1 3 399.458 3.544 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826480287 608224191 /nfs/dbraw/zinc/22/41/91/608224191.db2.gz WUWYYZYOKUCHNW-UHFFFAOYSA-N -1 3 399.458 3.544 20 0 GHADHM COc1cc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)ccc1SC ZINC000826179475 608225586 /nfs/dbraw/zinc/22/55/86/608225586.db2.gz PQNDJBFPPRMPNL-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM COc1cc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)ccc1SC ZINC000826179475 608225587 /nfs/dbraw/zinc/22/55/87/608225587.db2.gz PQNDJBFPPRMPNL-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM c1csc(CN(C[C@@H]2CCCO2)c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826525960 608233995 /nfs/dbraw/zinc/23/39/95/608233995.db2.gz GGPBIMJXGLSBGY-INIZCTEOSA-N -1 3 392.488 3.662 20 0 GHADHM c1csc(CN(C[C@@H]2CCCO2)c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826525960 608233996 /nfs/dbraw/zinc/23/39/96/608233996.db2.gz GGPBIMJXGLSBGY-INIZCTEOSA-N -1 3 392.488 3.662 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826353932 608234738 /nfs/dbraw/zinc/23/47/38/608234738.db2.gz JRFCOKULXVYVEG-OAHLLOKOSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826353932 608234739 /nfs/dbraw/zinc/23/47/39/608234739.db2.gz JRFCOKULXVYVEG-OAHLLOKOSA-N -1 3 392.850 3.726 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825194148 608245618 /nfs/dbraw/zinc/24/56/18/608245618.db2.gz PDTXHXJXOCHLDF-HNAYVOBHSA-N -1 3 391.475 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826173715 608267163 /nfs/dbraw/zinc/26/71/63/608267163.db2.gz QYEKCGBVNICPIY-MLGOLLRUSA-N -1 3 399.524 3.819 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826173715 608267164 /nfs/dbraw/zinc/26/71/64/608267164.db2.gz QYEKCGBVNICPIY-MLGOLLRUSA-N -1 3 399.524 3.819 20 0 GHADHM CCN(C(=O)C[C@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367970 608274147 /nfs/dbraw/zinc/27/41/47/608274147.db2.gz YPLVBDBIFJLTQE-UGSOOPFHSA-N -1 3 399.882 3.553 20 0 GHADHM CCN(C(=O)C[C@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367970 608274148 /nfs/dbraw/zinc/27/41/48/608274148.db2.gz YPLVBDBIFJLTQE-UGSOOPFHSA-N -1 3 399.882 3.553 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCC(F)(F)CC1 ZINC000826440517 608304579 /nfs/dbraw/zinc/30/45/79/608304579.db2.gz PRKLUOPOSNZLQL-UHFFFAOYSA-N -1 3 397.429 3.975 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC000826440517 608304581 /nfs/dbraw/zinc/30/45/81/608304581.db2.gz PRKLUOPOSNZLQL-UHFFFAOYSA-N -1 3 397.429 3.975 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516548 608312770 /nfs/dbraw/zinc/31/27/70/608312770.db2.gz XZJDILUYQTUJLP-ZJUUUORDSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516548 608312772 /nfs/dbraw/zinc/31/27/72/608312772.db2.gz XZJDILUYQTUJLP-ZJUUUORDSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824956472 608312886 /nfs/dbraw/zinc/31/28/86/608312886.db2.gz RQDLCTVWHXIGOQ-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824956472 608312888 /nfs/dbraw/zinc/31/28/88/608312888.db2.gz RQDLCTVWHXIGOQ-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(Oc2ccccn2)cc1 ZINC000826173311 608324589 /nfs/dbraw/zinc/32/45/89/608324589.db2.gz XHDIVYLAXDKSQC-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(Oc2ccccn2)cc1 ZINC000826173311 608324591 /nfs/dbraw/zinc/32/45/91/608324591.db2.gz XHDIVYLAXDKSQC-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363326 608344182 /nfs/dbraw/zinc/34/41/82/608344182.db2.gz YCZGWBLOUQAZSE-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825363326 608344184 /nfs/dbraw/zinc/34/41/84/608344184.db2.gz YCZGWBLOUQAZSE-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CCCc1nc(C)c(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825353190 608346678 /nfs/dbraw/zinc/34/66/78/608346678.db2.gz SQSVWSGAPDYBOP-UHFFFAOYSA-N -1 3 390.900 3.904 20 0 GHADHM CCCc1nc(C)c(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825353190 608346680 /nfs/dbraw/zinc/34/66/80/608346680.db2.gz SQSVWSGAPDYBOP-UHFFFAOYSA-N -1 3 390.900 3.904 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000826353070 608374740 /nfs/dbraw/zinc/37/47/40/608374740.db2.gz ZSFPPUBAAMUSEW-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000826353070 608374742 /nfs/dbraw/zinc/37/47/42/608374742.db2.gz ZSFPPUBAAMUSEW-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc2ccccc2c1 ZINC000824633300 608422572 /nfs/dbraw/zinc/42/25/72/608422572.db2.gz KFOQXYYIVUHGKY-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc2ccccc2c1 ZINC000824633300 608422574 /nfs/dbraw/zinc/42/25/74/608422574.db2.gz KFOQXYYIVUHGKY-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM CCCCCn1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(C)n1 ZINC000825281899 608444630 /nfs/dbraw/zinc/44/46/30/608444630.db2.gz MUHYFHKNLQHEGP-UHFFFAOYSA-N -1 3 376.468 3.722 20 0 GHADHM CCCCCn1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(C)n1 ZINC000825281899 608444633 /nfs/dbraw/zinc/44/46/33/608444633.db2.gz MUHYFHKNLQHEGP-UHFFFAOYSA-N -1 3 376.468 3.722 20 0 GHADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1C(F)(F)F ZINC000824052776 608448959 /nfs/dbraw/zinc/44/89/59/608448959.db2.gz RJXZMFCPEAIWNA-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1C(F)(F)F ZINC000824052776 608448961 /nfs/dbraw/zinc/44/89/61/608448961.db2.gz RJXZMFCPEAIWNA-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000824141463 608449248 /nfs/dbraw/zinc/44/92/48/608449248.db2.gz HOUICGZGCMJGBE-FPLPWBNLSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000824141463 608449249 /nfs/dbraw/zinc/44/92/49/608449249.db2.gz HOUICGZGCMJGBE-FPLPWBNLSA-N -1 3 387.440 3.516 20 0 GHADHM Clc1ccc(C[C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccn2)cc1 ZINC000826352139 608451920 /nfs/dbraw/zinc/45/19/20/608451920.db2.gz OZICQLLIDAAMBV-KRWDZBQOSA-N -1 3 380.839 3.582 20 0 GHADHM Clc1ccc(C[C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccn2)cc1 ZINC000826352139 608451922 /nfs/dbraw/zinc/45/19/22/608451922.db2.gz OZICQLLIDAAMBV-KRWDZBQOSA-N -1 3 380.839 3.582 20 0 GHADHM O=C(Nc1ccc2c(c1)CCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826455636 608469888 /nfs/dbraw/zinc/46/98/88/608469888.db2.gz XMRGSQAIFATWNM-UHFFFAOYSA-N -1 3 386.459 3.677 20 0 GHADHM O=C(Nc1ccc2c(c1)CCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826455636 608469889 /nfs/dbraw/zinc/46/98/89/608469889.db2.gz XMRGSQAIFATWNM-UHFFFAOYSA-N -1 3 386.459 3.677 20 0 GHADHM CC[C@H](CSC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825127087 608474852 /nfs/dbraw/zinc/47/48/52/608474852.db2.gz LTMBWMKBTQZSFX-OAHLLOKOSA-N -1 3 383.477 3.530 20 0 GHADHM CC[C@H](CSC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825127087 608474853 /nfs/dbraw/zinc/47/48/53/608474853.db2.gz LTMBWMKBTQZSFX-OAHLLOKOSA-N -1 3 383.477 3.530 20 0 GHADHM CSc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)ccn1 ZINC000826230146 608476690 /nfs/dbraw/zinc/47/66/90/608476690.db2.gz GRUJTMATEPQCHH-UHFFFAOYSA-N -1 3 397.508 3.674 20 0 GHADHM CSc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)ccn1 ZINC000826230146 608476691 /nfs/dbraw/zinc/47/66/91/608476691.db2.gz GRUJTMATEPQCHH-UHFFFAOYSA-N -1 3 397.508 3.674 20 0 GHADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000824384977 608480035 /nfs/dbraw/zinc/48/00/35/608480035.db2.gz JAFXNEMZMMJBQI-OAHLLOKOSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(F)c1 ZINC000824384977 608480036 /nfs/dbraw/zinc/48/00/36/608480036.db2.gz JAFXNEMZMMJBQI-OAHLLOKOSA-N -1 3 391.450 3.815 20 0 GHADHM CSc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1F ZINC000826229561 608480264 /nfs/dbraw/zinc/48/02/64/608480264.db2.gz IXOSNBPDTBWHHF-UHFFFAOYSA-N -1 3 395.463 3.657 20 0 GHADHM CSc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1F ZINC000826229561 608480266 /nfs/dbraw/zinc/48/02/66/608480266.db2.gz IXOSNBPDTBWHHF-UHFFFAOYSA-N -1 3 395.463 3.657 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825705040 608484838 /nfs/dbraw/zinc/48/48/38/608484838.db2.gz UUSQRMPYQHIBEP-MRXNPFEDSA-N -1 3 387.487 3.849 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825705040 608484840 /nfs/dbraw/zinc/48/48/40/608484840.db2.gz UUSQRMPYQHIBEP-MRXNPFEDSA-N -1 3 387.487 3.849 20 0 GHADHM CSCc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826229207 608486671 /nfs/dbraw/zinc/48/66/71/608486671.db2.gz UCJKYRGACQDIOO-UHFFFAOYSA-N -1 3 391.500 3.659 20 0 GHADHM CSCc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826229207 608486673 /nfs/dbraw/zinc/48/66/73/608486673.db2.gz UCJKYRGACQDIOO-UHFFFAOYSA-N -1 3 391.500 3.659 20 0 GHADHM c1ccc(-c2nnc(CN[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)s2)cc1 ZINC000826519457 608523598 /nfs/dbraw/zinc/52/35/98/608523598.db2.gz ZEEXKZUQNNXMIV-QGZVFWFLSA-N -1 3 389.488 3.552 20 0 GHADHM CC(C)N(Cc1occc1Br)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293639 608532054 /nfs/dbraw/zinc/53/20/54/608532054.db2.gz VDBWMKDOPQLWGF-UHFFFAOYSA-N -1 3 376.258 3.633 20 0 GHADHM CC(C)N(Cc1occc1Br)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293639 608532055 /nfs/dbraw/zinc/53/20/55/608532055.db2.gz VDBWMKDOPQLWGF-UHFFFAOYSA-N -1 3 376.258 3.633 20 0 GHADHM c1ccc2sc(NC3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)nc2c1 ZINC000826524265 608557627 /nfs/dbraw/zinc/55/76/27/608557627.db2.gz ONXQIFZPMUAZHP-UHFFFAOYSA-N -1 3 393.476 3.674 20 0 GHADHM c1ccc2sc(NC3CCC(Oc4ccc(-c5nn[n-]n5)cn4)CC3)nc2c1 ZINC000826524265 608557629 /nfs/dbraw/zinc/55/76/29/608557629.db2.gz ONXQIFZPMUAZHP-UHFFFAOYSA-N -1 3 393.476 3.674 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000826288728 608568576 /nfs/dbraw/zinc/56/85/76/608568576.db2.gz UNHWMGXCMVIQMT-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000826288728 608568577 /nfs/dbraw/zinc/56/85/77/608568577.db2.gz UNHWMGXCMVIQMT-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826256638 608573658 /nfs/dbraw/zinc/57/36/58/608573658.db2.gz STDWBCVWXWAMNO-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826256638 608573659 /nfs/dbraw/zinc/57/36/59/608573659.db2.gz STDWBCVWXWAMNO-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C(C)C)cc1F ZINC000826209012 608575192 /nfs/dbraw/zinc/57/51/92/608575192.db2.gz JHKYGWRUQNOQJB-UHFFFAOYSA-N -1 3 389.818 3.723 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C(C)C)cc1F ZINC000826209012 608575193 /nfs/dbraw/zinc/57/51/93/608575193.db2.gz JHKYGWRUQNOQJB-UHFFFAOYSA-N -1 3 389.818 3.723 20 0 GHADHM Fc1cccc(CN(Cc2cncs2)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826376719 608612807 /nfs/dbraw/zinc/61/28/07/608612807.db2.gz OWDNYFYDNPIDRE-UHFFFAOYSA-N -1 3 380.452 3.665 20 0 GHADHM Fc1c(CSc2nnc(NC3CCCCC3)s2)cccc1-c1nnn[n-]1 ZINC000826371531 608670149 /nfs/dbraw/zinc/67/01/49/608670149.db2.gz JMNIUIBEGZSAPV-UHFFFAOYSA-N -1 3 391.501 3.894 20 0 GHADHM Fc1c(CSc2nnc(NC3CCCCC3)s2)cccc1-c1nn[n-]n1 ZINC000826371531 608670150 /nfs/dbraw/zinc/67/01/50/608670150.db2.gz JMNIUIBEGZSAPV-UHFFFAOYSA-N -1 3 391.501 3.894 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826457075 608670158 /nfs/dbraw/zinc/67/01/58/608670158.db2.gz KWZVODAFQZJGKK-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826457075 608670159 /nfs/dbraw/zinc/67/01/59/608670159.db2.gz KWZVODAFQZJGKK-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3cc(-c4nnn[n-]4)cs3)n2)c1 ZINC000826295314 608717508 /nfs/dbraw/zinc/71/75/08/608717508.db2.gz BWRBTLNHOCVODL-GOSISDBHSA-N -1 3 391.504 3.964 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3cc(-c4nn[n-]n4)cs3)n2)c1 ZINC000826295314 608717510 /nfs/dbraw/zinc/71/75/10/608717510.db2.gz BWRBTLNHOCVODL-GOSISDBHSA-N -1 3 391.504 3.964 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824206799 608755979 /nfs/dbraw/zinc/75/59/79/608755979.db2.gz JAZWTBAHJADJRM-SFHVURJKSA-N -1 3 399.882 3.582 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824206799 608755981 /nfs/dbraw/zinc/75/59/81/608755981.db2.gz JAZWTBAHJADJRM-SFHVURJKSA-N -1 3 399.882 3.582 20 0 GHADHM Cc1cc(Cl)cc(C)c1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826267400 608850419 /nfs/dbraw/zinc/85/04/19/608850419.db2.gz DEDVCUUDVRTPKE-LJQANCHMSA-N -1 3 383.883 3.710 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccn1 ZINC000825074927 609141473 /nfs/dbraw/zinc/14/14/73/609141473.db2.gz LGZTYZZBLKYWBX-LLVKDONJSA-N -1 3 398.492 3.632 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccn1 ZINC000825074927 609141475 /nfs/dbraw/zinc/14/14/75/609141475.db2.gz LGZTYZZBLKYWBX-LLVKDONJSA-N -1 3 398.492 3.632 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c(F)c1 ZINC000824019893 609141496 /nfs/dbraw/zinc/14/14/96/609141496.db2.gz SVTNHZCCNVLXRJ-SECBINFHSA-N -1 3 399.451 3.647 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c(F)c1 ZINC000824019893 609141498 /nfs/dbraw/zinc/14/14/98/609141498.db2.gz SVTNHZCCNVLXRJ-SECBINFHSA-N -1 3 399.451 3.647 20 0 GHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000826291894 609182448 /nfs/dbraw/zinc/18/24/48/609182448.db2.gz ZZDZWLWAVXVMTP-YJBOKZPZSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000826291894 609182450 /nfs/dbraw/zinc/18/24/50/609182450.db2.gz ZZDZWLWAVXVMTP-YJBOKZPZSA-N -1 3 379.464 3.906 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824293537 609200434 /nfs/dbraw/zinc/20/04/34/609200434.db2.gz QSAKSUDUDIDDCQ-UHFFFAOYSA-N -1 3 379.251 3.552 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824293537 609200436 /nfs/dbraw/zinc/20/04/36/609200436.db2.gz QSAKSUDUDIDDCQ-UHFFFAOYSA-N -1 3 379.251 3.552 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385673 609233332 /nfs/dbraw/zinc/23/33/32/609233332.db2.gz YWVGZUIQYQEVRT-OLZOCXBDSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385673 609233333 /nfs/dbraw/zinc/23/33/33/609233333.db2.gz YWVGZUIQYQEVRT-OLZOCXBDSA-N -1 3 397.866 3.606 20 0 GHADHM CCC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825241827 609242384 /nfs/dbraw/zinc/24/23/84/609242384.db2.gz AYBJQMOJXPKSDM-FQEVSTJZSA-N -1 3 392.507 3.781 20 0 GHADHM CCC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825241827 609242385 /nfs/dbraw/zinc/24/23/85/609242385.db2.gz AYBJQMOJXPKSDM-FQEVSTJZSA-N -1 3 392.507 3.781 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662605 609276191 /nfs/dbraw/zinc/27/61/91/609276191.db2.gz NXBCLMMXVINPDP-OAHLLOKOSA-N -1 3 376.464 3.666 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662605 609276192 /nfs/dbraw/zinc/27/61/92/609276192.db2.gz NXBCLMMXVINPDP-OAHLLOKOSA-N -1 3 376.464 3.666 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663250 609276277 /nfs/dbraw/zinc/27/62/77/609276277.db2.gz XEBJYYADVQSDSY-HNNXBMFYSA-N -1 3 376.464 3.666 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663250 609276279 /nfs/dbraw/zinc/27/62/79/609276279.db2.gz XEBJYYADVQSDSY-HNNXBMFYSA-N -1 3 376.464 3.666 20 0 GHADHM Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)n[nH]2)s1 ZINC000826273078 609290173 /nfs/dbraw/zinc/29/01/73/609290173.db2.gz ONADGGDJDCQGHO-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)n[nH]2)s1 ZINC000826273078 609290175 /nfs/dbraw/zinc/29/01/75/609290175.db2.gz ONADGGDJDCQGHO-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826271907 609295994 /nfs/dbraw/zinc/29/59/94/609295994.db2.gz MMYSFSNUCIJHJI-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826271907 609295996 /nfs/dbraw/zinc/29/59/96/609295996.db2.gz MMYSFSNUCIJHJI-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1CCC=C(F)C1 ZINC000826474599 609296254 /nfs/dbraw/zinc/29/62/54/609296254.db2.gz XFCJDUOAVYGWPZ-UHFFFAOYSA-N -1 3 381.436 3.717 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1CCC=C(F)C1 ZINC000826474599 609296255 /nfs/dbraw/zinc/29/62/55/609296255.db2.gz XFCJDUOAVYGWPZ-UHFFFAOYSA-N -1 3 381.436 3.717 20 0 GHADHM Cn1cc(C=Cc2ccc3ccccc3n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359799 609308536 /nfs/dbraw/zinc/30/85/36/609308536.db2.gz QMBNKWMMHKVGBW-ACCUITESSA-N -1 3 379.427 3.986 20 0 GHADHM Cn1cc(C=Cc2ccc3ccccc3n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359799 609308538 /nfs/dbraw/zinc/30/85/38/609308538.db2.gz QMBNKWMMHKVGBW-ACCUITESSA-N -1 3 379.427 3.986 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826453487 609308740 /nfs/dbraw/zinc/30/87/40/609308740.db2.gz MPCBDOUBJDHRKH-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826453487 609308742 /nfs/dbraw/zinc/30/87/42/609308742.db2.gz MPCBDOUBJDHRKH-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1sc(C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1C=O ZINC000826349431 609309699 /nfs/dbraw/zinc/30/96/99/609309699.db2.gz HSEYBRTWNVDING-BQYQJAHWSA-N -1 3 376.445 3.620 20 0 GHADHM Cc1sc(C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1C=O ZINC000826349431 609309700 /nfs/dbraw/zinc/30/97/00/609309700.db2.gz HSEYBRTWNVDING-BQYQJAHWSA-N -1 3 376.445 3.620 20 0 GHADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1F ZINC000824029723 609310348 /nfs/dbraw/zinc/31/03/48/609310348.db2.gz QIDWLKGKHRGXHE-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1F ZINC000824029723 609310350 /nfs/dbraw/zinc/31/03/50/609310350.db2.gz QIDWLKGKHRGXHE-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000824119376 609325169 /nfs/dbraw/zinc/32/51/69/609325169.db2.gz HENUXHNIFVSBTF-UHFFFAOYSA-N -1 3 385.399 3.552 20 0 GHADHM CC(C)(C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000824119376 609325171 /nfs/dbraw/zinc/32/51/71/609325171.db2.gz HENUXHNIFVSBTF-UHFFFAOYSA-N -1 3 385.399 3.552 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825050111 609341537 /nfs/dbraw/zinc/34/15/37/609341537.db2.gz GUUMFYGXFPKLLV-ZIAGYGMSSA-N -1 3 396.470 3.841 20 0 GHADHM C[C@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658525 609348865 /nfs/dbraw/zinc/34/88/65/609348865.db2.gz XPNPYRPNFJNLCH-ZDUSSCGKSA-N -1 3 384.484 3.732 20 0 GHADHM C[C@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658525 609348867 /nfs/dbraw/zinc/34/88/67/609348867.db2.gz XPNPYRPNFJNLCH-ZDUSSCGKSA-N -1 3 384.484 3.732 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826210149 609349463 /nfs/dbraw/zinc/34/94/63/609349463.db2.gz GKJJNSZHKGDYQH-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826210149 609349465 /nfs/dbraw/zinc/34/94/65/609349465.db2.gz GKJJNSZHKGDYQH-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM C[C@H](c1cccc(O)c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770186 609363609 /nfs/dbraw/zinc/36/36/09/609363609.db2.gz GCNURVJFYJMUGH-LLVKDONJSA-N -1 3 388.269 3.528 20 0 GHADHM C[C@H](c1cccc(O)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770186 609363612 /nfs/dbraw/zinc/36/36/12/609363612.db2.gz GCNURVJFYJMUGH-LLVKDONJSA-N -1 3 388.269 3.528 20 0 GHADHM CC[C@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825159304 609366393 /nfs/dbraw/zinc/36/63/93/609366393.db2.gz NBZJHYNZWOEZBV-MRXNPFEDSA-N -1 3 387.285 3.607 20 0 GHADHM CC[C@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825159304 609366395 /nfs/dbraw/zinc/36/63/95/609366395.db2.gz NBZJHYNZWOEZBV-MRXNPFEDSA-N -1 3 387.285 3.607 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184492 609378257 /nfs/dbraw/zinc/37/82/57/609378257.db2.gz VGONOKZEHPAJEC-HZPDHXFCSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184492 609378259 /nfs/dbraw/zinc/37/82/59/609378259.db2.gz VGONOKZEHPAJEC-HZPDHXFCSA-N -1 3 395.463 3.588 20 0 GHADHM CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824152959 609396214 /nfs/dbraw/zinc/39/62/14/609396214.db2.gz VXRMNCGIRSXWMQ-UHFFFAOYSA-N -1 3 398.850 3.863 20 0 GHADHM CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824152959 609396217 /nfs/dbraw/zinc/39/62/17/609396217.db2.gz VXRMNCGIRSXWMQ-UHFFFAOYSA-N -1 3 398.850 3.863 20 0 GHADHM CCc1csc([C@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)n1 ZINC000825740679 609425334 /nfs/dbraw/zinc/42/53/34/609425334.db2.gz YIMVAARHMSORMO-AWEZNQCLSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)n1 ZINC000825740679 609425336 /nfs/dbraw/zinc/42/53/36/609425336.db2.gz YIMVAARHMSORMO-AWEZNQCLSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)n1 ZINC000825740581 609425468 /nfs/dbraw/zinc/42/54/68/609425468.db2.gz VLEPVBPSDCXYKC-AWEZNQCLSA-N -1 3 395.536 3.543 20 0 GHADHM CCc1csc([C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)n1 ZINC000825740581 609425470 /nfs/dbraw/zinc/42/54/70/609425470.db2.gz VLEPVBPSDCXYKC-AWEZNQCLSA-N -1 3 395.536 3.543 20 0 GHADHM CCOc1ccc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1 ZINC000825638704 609450787 /nfs/dbraw/zinc/45/07/87/609450787.db2.gz OFGDOYKNIJKRNP-UHFFFAOYSA-N -1 3 381.383 3.972 20 0 GHADHM CCOc1ccc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1 ZINC000825638704 609450789 /nfs/dbraw/zinc/45/07/89/609450789.db2.gz OFGDOYKNIJKRNP-UHFFFAOYSA-N -1 3 381.383 3.972 20 0 GHADHM Cc1noc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826337775 609451160 /nfs/dbraw/zinc/45/11/60/609451160.db2.gz ATZYTECCZZJBBN-OLZOCXBDSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1noc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826337775 609451161 /nfs/dbraw/zinc/45/11/61/609451161.db2.gz ATZYTECCZZJBBN-OLZOCXBDSA-N -1 3 375.436 3.637 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826403946 609480138 /nfs/dbraw/zinc/48/01/38/609480138.db2.gz JGLRKAYGOLECJT-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826403946 609480142 /nfs/dbraw/zinc/48/01/42/609480142.db2.gz JGLRKAYGOLECJT-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM CCOc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)ccc1OC(F)F ZINC000825615975 609480219 /nfs/dbraw/zinc/48/02/19/609480219.db2.gz RHNORYDQBMABAM-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM CCOc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)ccc1OC(F)F ZINC000825615975 609480222 /nfs/dbraw/zinc/48/02/22/609480222.db2.gz RHNORYDQBMABAM-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000826272037 609488503 /nfs/dbraw/zinc/48/85/03/609488503.db2.gz RNZGIZUTFUDAEV-WFASDCNBSA-N -1 3 378.436 3.737 20 0 GHADHM CC(C)Oc1ccc(NCc2csc(-c3ccccn3)n2)cc1-c1nnn[n-]1 ZINC000824328832 609492390 /nfs/dbraw/zinc/49/23/90/609492390.db2.gz BOBVITFOEGPIFD-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(NCc2csc(-c3ccccn3)n2)cc1-c1nn[n-]n1 ZINC000824328832 609492392 /nfs/dbraw/zinc/49/23/92/609492392.db2.gz BOBVITFOEGPIFD-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826461136 609509696 /nfs/dbraw/zinc/50/96/96/609509696.db2.gz HOZKQNUKFJIIFY-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826461136 609509697 /nfs/dbraw/zinc/50/96/97/609509697.db2.gz HOZKQNUKFJIIFY-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825183396 609553267 /nfs/dbraw/zinc/55/32/67/609553267.db2.gz OLEWEAOVSWNQRD-WBVHZDCISA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825183396 609553269 /nfs/dbraw/zinc/55/32/69/609553269.db2.gz OLEWEAOVSWNQRD-WBVHZDCISA-N -1 3 393.447 3.803 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264539 609609182 /nfs/dbraw/zinc/60/91/82/609609182.db2.gz RRGGLRQWHORUPN-APWZRJJASA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264539 609609185 /nfs/dbraw/zinc/60/91/85/609609185.db2.gz RRGGLRQWHORUPN-APWZRJJASA-N -1 3 390.491 3.744 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824716044 609632020 /nfs/dbraw/zinc/63/20/20/609632020.db2.gz WGOSFPMZUAIKMS-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824716044 609632022 /nfs/dbraw/zinc/63/20/22/609632022.db2.gz WGOSFPMZUAIKMS-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](Sc1n[nH]c(CO)n1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000683454267 837392005 /nfs/dbraw/zinc/39/20/05/837392005.db2.gz GTGJDIBEMGEESS-SSDOTTSWSA-N -1 3 391.503 3.589 20 0 GHADHM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431765738 837394495 /nfs/dbraw/zinc/39/44/95/837394495.db2.gz NOKKQFGLQAVXPL-JTQLQIEISA-N -1 3 391.244 3.611 20 0 GHADHM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H](CN3CCCC3)c3ccccc3)c2C)o1 ZINC000646921431 837467186 /nfs/dbraw/zinc/46/71/86/837467186.db2.gz BAVORDIQHJCBHU-SFHVURJKSA-N -1 3 378.476 3.527 20 0 GHADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)[N-]OCCC(F)(F)F ZINC000162959016 837469101 /nfs/dbraw/zinc/46/91/01/837469101.db2.gz UPKDHJYSXHINMX-UHFFFAOYSA-N -1 3 377.750 3.713 20 0 GHADHM O=C1C[C@H](NCc2c(F)ccc([O-])c2F)CN1c1cccc(C(F)(F)F)c1 ZINC000511494253 837763844 /nfs/dbraw/zinc/76/38/44/837763844.db2.gz JYHYMBNSJPMZSS-NSHDSACASA-N -1 3 386.320 3.584 20 0 GHADHM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000414401280 837769171 /nfs/dbraw/zinc/76/91/71/837769171.db2.gz WBAMKIWLUIGMQI-CQSZACIVSA-N -1 3 377.462 3.551 20 0 GHADHM CO[C@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)[C@H](C(=O)[O-])C1 ZINC000579735014 834492940 /nfs/dbraw/zinc/49/29/40/834492940.db2.gz RAMGYQKAYVRCQU-YOEHRIQHSA-N -1 3 377.387 3.821 20 0 GHADHM CO[C@@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000579735011 834493335 /nfs/dbraw/zinc/49/33/35/834493335.db2.gz RAMGYQKAYVRCQU-RHSMWYFYSA-N -1 3 377.387 3.821 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000728590418 834609294 /nfs/dbraw/zinc/60/92/94/834609294.db2.gz BHZZWNDLBYWLSB-UHFFFAOYSA-N -1 3 397.324 3.575 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)Nc1cccc2ccccc21 ZINC000583546585 834616104 /nfs/dbraw/zinc/61/61/04/834616104.db2.gz ZUBUJPVOUVWGLM-HNNXBMFYSA-N -1 3 396.459 3.523 20 0 GHADHM COc1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000579772635 834621012 /nfs/dbraw/zinc/62/10/12/834621012.db2.gz BGHHTWVHQMCUST-AWEZNQCLSA-N -1 3 383.366 3.560 20 0 GHADHM O=C(Nc1cc(NC(=O)c2ccccc2O)c(F)cc1F)c1ccccc1[O-] ZINC000151082602 834799262 /nfs/dbraw/zinc/79/92/62/834799262.db2.gz RQQKKWNQORJQFJ-UHFFFAOYSA-N -1 3 384.338 3.881 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)[n-]1 ZINC000510080660 834979826 /nfs/dbraw/zinc/97/98/26/834979826.db2.gz YWPCCVCOGUVKTH-UHFFFAOYSA-N -1 3 378.432 3.592 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cn(C(C)C)cn3)cc2)cc1 ZINC000466942732 844016593 /nfs/dbraw/zinc/01/65/93/844016593.db2.gz KWGXVXKBSAZBQU-UHFFFAOYSA-N -1 3 398.488 3.826 20 0 GHADHM O=C(Nc1ccc2nc[nH]c2c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000511298483 835092584 /nfs/dbraw/zinc/09/25/84/835092584.db2.gz BWDHHYWNFDOEMX-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM O=S(=O)([N-]CCCOCc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000728578858 835156025 /nfs/dbraw/zinc/15/60/25/835156025.db2.gz YAKYSGGVQNMSSQ-UHFFFAOYSA-N -1 3 391.386 3.730 20 0 GHADHM COc1cnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1 ZINC000685227734 835211762 /nfs/dbraw/zinc/21/17/62/835211762.db2.gz RNPZQTRVROMHJN-UHFFFAOYSA-N -1 3 379.107 3.661 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525677747 835300702 /nfs/dbraw/zinc/30/07/02/835300702.db2.gz MXFWYFCQZISMFG-SGMGOOAPSA-N -1 3 389.293 3.989 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 ZINC000094015012 835349699 /nfs/dbraw/zinc/34/96/99/835349699.db2.gz PPERAWZCLKZKSB-UHFFFAOYSA-N -1 3 380.366 3.807 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000151461496 835447713 /nfs/dbraw/zinc/44/77/13/835447713.db2.gz DSIITPQGYJGCQO-VOJFVSQTSA-N -1 3 393.409 3.558 20 0 GHADHM CC(C)(C)c1nc(CC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000151557941 835524921 /nfs/dbraw/zinc/52/49/21/835524921.db2.gz FNVGFGSCRVYCHS-UHFFFAOYSA-N -1 3 383.311 3.768 20 0 GHADHM O=C(CCCOCCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151573380 835543469 /nfs/dbraw/zinc/54/34/69/835543469.db2.gz YNRZQMAADNJTOH-UHFFFAOYSA-N -1 3 392.293 3.810 20 0 GHADHM O=C([N-]C1CCN(CCCc2ccccc2Br)CC1)C(F)(F)F ZINC001208846436 835572858 /nfs/dbraw/zinc/57/28/58/835572858.db2.gz ZLONEHRJBDDVGI-UHFFFAOYSA-N -1 3 393.247 3.525 20 0 GHADHM O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000151596612 835579259 /nfs/dbraw/zinc/57/92/59/835579259.db2.gz FPPVFCFWLMVSDC-UHFFFAOYSA-N -1 3 398.203 3.712 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2OC)cc1CC ZINC000547713102 835651661 /nfs/dbraw/zinc/65/16/61/835651661.db2.gz POSBPCWCCKNWJA-UHFFFAOYSA-N -1 3 376.522 3.682 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc(-c4ccccn4)[nH]c3=O)[nH][n-]2)c1 ZINC000512531094 844075884 /nfs/dbraw/zinc/07/58/84/844075884.db2.gz RGNVYWOTOROUAB-UHFFFAOYSA-N -1 3 385.427 3.530 20 0 GHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1)C1CC1 ZINC000134466073 835744263 /nfs/dbraw/zinc/74/42/63/835744263.db2.gz RAFQUXRRIXHXSA-UHFFFAOYSA-N -1 3 386.517 3.924 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001211611607 835759957 /nfs/dbraw/zinc/75/99/57/835759957.db2.gz LMXLVRFQKDJYSA-KBPBESRZSA-N -1 3 383.407 3.717 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000472316616 835799366 /nfs/dbraw/zinc/79/93/66/835799366.db2.gz WRHVLVOCVLPLJH-HZPDHXFCSA-N -1 3 377.441 3.539 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1OC ZINC000134649155 835882701 /nfs/dbraw/zinc/88/27/01/835882701.db2.gz XJWLKCDZPVHKIX-UHFFFAOYSA-N -1 3 394.468 3.512 20 0 GHADHM Cn1nc(C2CC2)nc1Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000647425756 835882970 /nfs/dbraw/zinc/88/29/70/835882970.db2.gz YXWLWRPECHEYEZ-UHFFFAOYSA-N -1 3 387.443 3.630 20 0 GHADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cc(Br)c1O ZINC000276943368 844100289 /nfs/dbraw/zinc/10/02/89/844100289.db2.gz CTOQLBZWTQABDO-GFCCVEGCSA-N -1 3 386.267 3.530 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000151852859 835938191 /nfs/dbraw/zinc/93/81/91/835938191.db2.gz BIDDPCYVEDKFBW-UHFFFAOYSA-N -1 3 382.439 3.840 20 0 GHADHM O=C(NC[C@@H]1CCCCC1(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584392574 835970889 /nfs/dbraw/zinc/97/08/89/835970889.db2.gz FCUQVRKEDZRSHB-JTQLQIEISA-N -1 3 399.235 3.846 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1C ZINC000278790501 836032919 /nfs/dbraw/zinc/03/29/19/836032919.db2.gz VAIYYYXSZIHMHL-UHFFFAOYSA-N -1 3 391.493 3.563 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(Cl)c(F)c1 ZINC000472426760 836166902 /nfs/dbraw/zinc/16/69/02/836166902.db2.gz ATTMPOHBRXCOIW-GOSISDBHSA-N -1 3 387.794 3.982 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)[N-]NC(=O)NC2CCCC2)cc1C ZINC000065919987 836223841 /nfs/dbraw/zinc/22/38/41/836223841.db2.gz PEVFIMDCWLXAKJ-UHFFFAOYSA-N -1 3 384.505 3.736 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2nc3nccc(C)n3n2)c1 ZINC000134903770 836235532 /nfs/dbraw/zinc/23/55/32/836235532.db2.gz FEAZKDFIKWQTFU-UHFFFAOYSA-N -1 3 381.383 3.648 20 0 GHADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893187 844143917 /nfs/dbraw/zinc/14/39/17/844143917.db2.gz JHPXXBDCTBWZEI-LLVKDONJSA-N -1 3 387.851 3.682 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000180756890 836269034 /nfs/dbraw/zinc/26/90/34/836269034.db2.gz QRYYSCUSFCTSMB-HNNXBMFYSA-N -1 3 393.333 3.749 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)C1CCCCC1 ZINC000548933484 836289379 /nfs/dbraw/zinc/28/93/79/836289379.db2.gz VWEFGJMLRMUKDO-MRXNPFEDSA-N -1 3 382.508 3.500 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cccc(COCCc2ccccc2)c1 ZINC000471246840 836331429 /nfs/dbraw/zinc/33/14/29/836331429.db2.gz YMZINJHCQCTXNJ-UHFFFAOYSA-N -1 3 377.444 3.868 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1)c1c(Cl)cccc1Br ZINC000306071184 836341933 /nfs/dbraw/zinc/34/19/33/836341933.db2.gz ZYFHRLJCGBYHEI-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM C[C@H]1CCc2c(sc3[n-]c(-c4ccc(S(C)(=O)=O)s4)nc(=O)c23)C1 ZINC000414172175 836395004 /nfs/dbraw/zinc/39/50/04/836395004.db2.gz FCCJSUQTLDYAQN-QMMMGPOBSA-N -1 3 380.516 3.654 20 0 GHADHM O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc([O-])c2ccccc2c1 ZINC000548944563 836466877 /nfs/dbraw/zinc/46/68/77/836466877.db2.gz BDEZLQBZGMYEDH-GOSISDBHSA-N -1 3 375.428 3.582 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000890754815 836644509 /nfs/dbraw/zinc/64/45/09/836644509.db2.gz VGKOTRCBISYKMU-XQQFMLRXSA-N -1 3 380.872 3.563 20 0 GHADHM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000067139160 836652016 /nfs/dbraw/zinc/65/20/16/836652016.db2.gz QGPMIMNAZCDIOW-UHFFFAOYSA-N -1 3 391.836 3.837 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC4(CCC4)C3)cs2)c1 ZINC000473319232 844191452 /nfs/dbraw/zinc/19/14/52/844191452.db2.gz LBIWVFVHCUOIMR-UHFFFAOYSA-N -1 3 399.516 3.745 20 0 GHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2O1 ZINC000430371618 836843081 /nfs/dbraw/zinc/84/30/81/836843081.db2.gz CVFAOJSRMZIGLP-UHFFFAOYSA-N -1 3 395.864 3.626 20 0 GHADHM CC[C@H]1CC[C@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000431703868 836964512 /nfs/dbraw/zinc/96/45/12/836964512.db2.gz IZWCFXBCMBZDDJ-HDJSIYSDSA-N -1 3 383.514 3.547 20 0 GHADHM CCn1cc(Br)c(=O)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000514897508 837030853 /nfs/dbraw/zinc/03/08/53/837030853.db2.gz WCOACNAXENSZNN-UHFFFAOYSA-N -1 3 387.233 3.742 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867182 837037800 /nfs/dbraw/zinc/03/78/00/837037800.db2.gz JWAXLSQEWYRTLN-VIFPVBQESA-N -1 3 399.806 3.708 20 0 GHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)c2)n1 ZINC000175970051 837093121 /nfs/dbraw/zinc/09/31/21/837093121.db2.gz YUDGPFQTQYLMRH-CYBMUJFWSA-N -1 3 399.472 3.732 20 0 GHADHM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2N1 ZINC000024256529 837124381 /nfs/dbraw/zinc/12/43/81/837124381.db2.gz USJPGVONCAYVHR-UHFFFAOYSA-N -1 3 396.424 3.611 20 0 GHADHM Cc1cc(C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)c(C)n1Cc1ccco1 ZINC000177758432 837138252 /nfs/dbraw/zinc/13/82/52/837138252.db2.gz IYLGFRSNFRMOKD-UHFFFAOYSA-N -1 3 380.444 3.528 20 0 GHADHM CCOc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186439644 837221615 /nfs/dbraw/zinc/22/16/15/837221615.db2.gz IRJLZDXTAUNOHT-UHFFFAOYSA-N -1 3 388.895 3.792 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1(C)CC1 ZINC000176248379 837232993 /nfs/dbraw/zinc/23/29/93/837232993.db2.gz BFCDTYQINJCUDY-CQSZACIVSA-N -1 3 390.480 3.887 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCOCC(F)(F)F)c(C2CC2)cc1Cl ZINC000655603268 837375124 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CCc1nc2cc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)ccc2n1C1CC1 ZINC000580218847 838452395 /nfs/dbraw/zinc/45/23/95/838452395.db2.gz ZWBKWJIXFYGWSR-UHFFFAOYSA-N -1 3 386.455 3.705 20 0 GHADHM CC(=O)N1CCC(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000179933687 838556415 /nfs/dbraw/zinc/55/64/15/838556415.db2.gz GNZIEDLMUNTJDA-UHFFFAOYSA-N -1 3 395.484 3.866 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([O-])c1 ZINC000180720685 838572694 /nfs/dbraw/zinc/57/26/94/838572694.db2.gz ZTGOBUPSHSGOMV-QGZVFWFLSA-N -1 3 381.350 3.633 20 0 GHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1c([O-])cccc1O ZINC000180849166 838573175 /nfs/dbraw/zinc/57/31/75/838573175.db2.gz QECDKTMGVSRVIU-UHFFFAOYSA-N -1 3 395.377 3.595 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000416129199 838598159 /nfs/dbraw/zinc/59/81/59/838598159.db2.gz CHUXMEIOWHXDGJ-UHFFFAOYSA-N -1 3 388.489 3.584 20 0 GHADHM CC1(C)CN(CC[C@H](C(=O)[O-])c2ccccc2)C[C@@H](COc2ccccc2)O1 ZINC000659796020 838682079 /nfs/dbraw/zinc/68/20/79/838682079.db2.gz YOOLJGSEOBXXJN-SFTDATJTSA-N -1 3 383.488 3.803 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cccc(Br)c1Cl)c1nccs1 ZINC000580102676 838871092 /nfs/dbraw/zinc/87/10/92/838871092.db2.gz JGVKKHHHFAPXRV-UHFFFAOYSA-N -1 3 395.731 3.773 20 0 GHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H]1CC1(C)C ZINC000416279315 838875461 /nfs/dbraw/zinc/87/54/61/838875461.db2.gz SWJJOMVKTHHKNI-HIFRSBDPSA-N -1 3 393.484 3.509 20 0 GHADHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893207915 838883521 /nfs/dbraw/zinc/88/35/21/838883521.db2.gz XAMSXLZVZLNFLO-UHFFFAOYSA-N -1 3 396.274 3.873 20 0 GHADHM Cc1ccc(-n2cc(C(=O)N3CCCc4c(=O)[n-]cnc43)c(C(C)(C)C)n2)cc1 ZINC000893212963 838917001 /nfs/dbraw/zinc/91/70/01/838917001.db2.gz OMGJMRBYOQCZBK-UHFFFAOYSA-N -1 3 391.475 3.567 20 0 GHADHM CC[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183242989 838920189 /nfs/dbraw/zinc/92/01/89/838920189.db2.gz PZJDREZRQIPZQU-DYESRHJHSA-N -1 3 380.488 3.902 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC(C)C)C3CC3)cs2)c1 ZINC000183370369 838966272 /nfs/dbraw/zinc/96/62/72/838966272.db2.gz HAEJJHJZQAWKKS-UHFFFAOYSA-N -1 3 387.505 3.599 20 0 GHADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000377082337 838969718 /nfs/dbraw/zinc/96/97/18/838969718.db2.gz NAYAHVQUEBTALL-MAODMQOUSA-N -1 3 376.456 3.609 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1ccccn1 ZINC000122336177 839111426 /nfs/dbraw/zinc/11/14/26/839111426.db2.gz RIWLJRFZHUWRHX-QFIPXVFZSA-N -1 3 387.439 3.524 20 0 GHADHM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCC1 ZINC000129545894 839138390 /nfs/dbraw/zinc/13/83/90/839138390.db2.gz IROJJDUWVAAZCM-ZDUSSCGKSA-N -1 3 376.453 3.545 20 0 GHADHM COc1cccc(C[C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C2CC2)c1 ZINC000182730088 839142302 /nfs/dbraw/zinc/14/23/02/839142302.db2.gz ZONGRRJIWRCVNU-SFHVURJKSA-N -1 3 390.505 3.509 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363848878 839244196 /nfs/dbraw/zinc/24/41/96/839244196.db2.gz ZLEGRYRGDANISZ-SFHVURJKSA-N -1 3 394.515 3.920 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000416501824 839324087 /nfs/dbraw/zinc/32/40/87/839324087.db2.gz JGEAINRLOVOQHF-JTQLQIEISA-N -1 3 396.734 3.586 20 0 GHADHM O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc([O-])ccc1Cl ZINC000431894859 839524929 /nfs/dbraw/zinc/52/49/29/839524929.db2.gz VKRDZJOKXUDTSC-GOSISDBHSA-N -1 3 395.286 3.502 20 0 GHADHM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000473440195 844447820 /nfs/dbraw/zinc/44/78/20/844447820.db2.gz ZMPURZZFBIOSLA-UHFFFAOYSA-N -1 3 386.242 3.632 20 0 GHADHM C[C@H]1CC(CCNC(=O)NCc2ccc([O-])c(Br)c2)C[C@H](C)O1 ZINC000549289217 839835871 /nfs/dbraw/zinc/83/58/71/839835871.db2.gz YTOROQFMPACKRC-RYUDHWBXSA-N -1 3 385.302 3.548 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000050363262 839939706 /nfs/dbraw/zinc/93/97/06/839939706.db2.gz SSVWEURLCBGMQA-OAQYLSRUSA-N -1 3 393.464 3.785 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C[C@@H]3Sc4ccccc4NC3=O)[nH][n-]2)c1 ZINC000512551290 844502438 /nfs/dbraw/zinc/50/24/38/844502438.db2.gz SKCDTVNMPVHFMR-SFHVURJKSA-N -1 3 392.484 3.557 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(OC(F)F)c(F)c1 ZINC000684110823 840434266 /nfs/dbraw/zinc/43/42/66/840434266.db2.gz YSZLUIKNWHXBKQ-UHFFFAOYSA-N -1 3 387.166 3.930 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccncc3)n2CC(F)(F)F)n1 ZINC000155945010 840512199 /nfs/dbraw/zinc/51/21/99/840512199.db2.gz WNVKLUDTGYNMAQ-SNVBAGLBSA-N -1 3 396.398 3.560 20 0 GHADHM COc1cccc([C@H](C)C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610490942 840971832 /nfs/dbraw/zinc/97/18/32/840971832.db2.gz NNKBDQNLHAUATN-JTQLQIEISA-N -1 3 397.212 3.748 20 0 GHADHM Cc1cccc(OCCCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000026625356 840998324 /nfs/dbraw/zinc/99/83/24/840998324.db2.gz SBLSAEWLUKMOIV-UHFFFAOYSA-N -1 3 381.259 3.922 20 0 GHADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1csc(C2CC2)n1 ZINC000417564282 841014357 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COc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Br ZINC000525534664 841197258 /nfs/dbraw/zinc/19/72/58/841197258.db2.gz LTRQHWUKBCJAGH-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC000651641609 841204926 /nfs/dbraw/zinc/20/49/26/841204926.db2.gz YAFQKKYOJRHSMZ-MRVPVSSYSA-N -1 3 395.369 3.666 20 0 GHADHM CCCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000027070264 841227790 /nfs/dbraw/zinc/22/77/90/841227790.db2.gz IJAPWWVFBSGFPA-UHFFFAOYSA-N -1 3 394.468 3.554 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000473082702 841281679 /nfs/dbraw/zinc/28/16/79/841281679.db2.gz XQDQNWBUFGEXEY-RDJZCZTQSA-N -1 3 399.397 3.536 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC=C(F)C1 ZINC000430591896 841283256 /nfs/dbraw/zinc/28/32/56/841283256.db2.gz PBUFULLMSZFDAM-UHFFFAOYSA-N -1 3 385.620 3.643 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000500051115 841334404 /nfs/dbraw/zinc/33/44/04/841334404.db2.gz WMAOEEVHYDWULN-SUMWQHHRSA-N -1 3 376.453 3.545 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000656567140 841419936 /nfs/dbraw/zinc/41/99/36/841419936.db2.gz DYQUMZHLGXFQHQ-SJCJKPOMSA-N -1 3 392.297 3.607 20 0 GHADHM COc1ccc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c(Br)c1O ZINC000656568597 841438488 /nfs/dbraw/zinc/43/84/88/841438488.db2.gz GTKJPJUBQAPZPF-YPMHNXCESA-N -1 3 386.286 3.532 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3ccc(F)cc3)c2)n1 ZINC000049301814 841498819 /nfs/dbraw/zinc/49/88/19/841498819.db2.gz GFTMPCKCRKCPRL-UHFFFAOYSA-N -1 3 383.448 3.869 20 0 GHADHM CCc1ccc(C(=O)N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)c([O-])c1 ZINC000276309575 841540867 /nfs/dbraw/zinc/54/08/67/841540867.db2.gz YIGHFAGZZSVLFQ-GOSISDBHSA-N -1 3 385.533 3.538 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)C[C@@H](OC)C3CCCC3)c2C1 ZINC000656620383 841581198 /nfs/dbraw/zinc/58/11/98/841581198.db2.gz BHLJRKXHOMWXIM-HXUWFJFHSA-N -1 3 380.554 3.749 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1)C1CCCC1 ZINC000656623212 841593794 /nfs/dbraw/zinc/59/37/94/841593794.db2.gz CGHTVLONFFEOSR-QGZVFWFLSA-N -1 3 391.493 3.561 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000656635621 841634068 /nfs/dbraw/zinc/63/40/68/841634068.db2.gz AIQJVIAYWAXRQO-UHFFFAOYSA-N -1 3 387.379 3.501 20 0 GHADHM Cc1ccccc1OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000025002540 841680590 /nfs/dbraw/zinc/68/05/90/841680590.db2.gz HEHVYSIDSWNYLP-UHFFFAOYSA-N -1 3 378.457 3.588 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)c(=O)c2c(OC)c1 ZINC000623593364 861231620 /nfs/dbraw/zinc/23/16/20/861231620.db2.gz FLZPVPJHBCCPNH-QLFBSQMISA-N -1 3 384.476 3.634 20 0 GHADHM CC(C)C1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000184154643 841854076 /nfs/dbraw/zinc/85/40/76/841854076.db2.gz NADBZTBANIXRGQ-FQEVSTJZSA-N -1 3 380.488 3.806 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000656739173 841863297 /nfs/dbraw/zinc/86/32/97/841863297.db2.gz AACUTYOOCHVLOD-UHFFFAOYSA-N -1 3 397.294 3.667 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cc1Cl ZINC000243442624 841884771 /nfs/dbraw/zinc/88/47/71/841884771.db2.gz NCQUBOLLVKSSHV-UHFFFAOYSA-N -1 3 394.880 3.665 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCCC[C@H]12 ZINC000656763136 841896885 /nfs/dbraw/zinc/89/68/85/841896885.db2.gz DURBZHDLDGSDAF-NFAWXSAZSA-N -1 3 396.281 3.643 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656767183 841900237 /nfs/dbraw/zinc/90/02/37/841900237.db2.gz DFTGQHKTZLHMSC-DLBZAZTESA-N -1 3 382.298 3.856 20 0 GHADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)CCC2 ZINC000548206967 842158456 /nfs/dbraw/zinc/15/84/56/842158456.db2.gz DIJLSYIAERULOX-OAHLLOKOSA-N -1 3 389.427 3.721 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000557211658 842164664 /nfs/dbraw/zinc/16/46/64/842164664.db2.gz SYNZSHCSRWAFMC-DIFFPNOSSA-N -1 3 387.860 3.542 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Cl)ccc1Sc1ccccc1 ZINC000647718775 842238922 /nfs/dbraw/zinc/23/89/22/842238922.db2.gz PDZXVWDZMVMFCY-UHFFFAOYSA-N -1 3 387.892 3.877 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000157960212 842264256 /nfs/dbraw/zinc/26/42/56/842264256.db2.gz WBNBZUTWDGBRGL-UHFFFAOYSA-N -1 3 393.852 3.994 20 0 GHADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1Cl ZINC000511904607 842345396 /nfs/dbraw/zinc/34/53/96/842345396.db2.gz WJSFWJAOKMWDKK-UHFFFAOYSA-N -1 3 396.896 3.816 20 0 GHADHM O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3ccc(C4CCCCC4)cc3)CC2)C1 ZINC000650499180 842417355 /nfs/dbraw/zinc/41/73/55/842417355.db2.gz KWMIUYAKJMWVQX-FQEVSTJZSA-N -1 3 384.520 3.632 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C)c1ccc(C)o1 ZINC000656925822 842421635 /nfs/dbraw/zinc/42/16/35/842421635.db2.gz YVQVQBMDSVSCGN-INIZCTEOSA-N -1 3 390.461 3.526 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC001211681527 842489133 /nfs/dbraw/zinc/48/91/33/842489133.db2.gz IACVZJFROIODOA-GJZGRUSLSA-N -1 3 395.443 3.640 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC001211681526 842489292 /nfs/dbraw/zinc/48/92/92/842489292.db2.gz IACVZJFROIODOA-CABCVRRESA-N -1 3 395.443 3.640 20 0 GHADHM CCN(CC)[C@H](CNC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(C(F)(F)F)cc1 ZINC000663111178 842501976 /nfs/dbraw/zinc/50/19/76/842501976.db2.gz SNCOTFXCZGKTCQ-MRXNPFEDSA-N -1 3 398.425 3.626 20 0 GHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656962418 842511515 /nfs/dbraw/zinc/51/15/15/842511515.db2.gz CGPXXENBFSMJGY-ZCFIWIBFSA-N -1 3 380.613 3.722 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccc2c(c1)CCC2 ZINC000314094112 842579311 /nfs/dbraw/zinc/57/93/11/842579311.db2.gz CSJKFMCSNXUQJT-UHFFFAOYSA-N -1 3 387.686 3.787 20 0 GHADHM O=C([N-]NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccc2ccccc2n1 ZINC000027687952 842640116 /nfs/dbraw/zinc/64/01/16/842640116.db2.gz HLEFZROGEWCDPV-UHFFFAOYSA-N -1 3 382.423 3.735 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]1C1CC1 ZINC000652513038 842649089 /nfs/dbraw/zinc/64/90/89/842649089.db2.gz USSZRMMWDWYVCI-JKSUJKDBSA-N -1 3 380.366 3.903 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c(Cl)c1 ZINC000432483983 842650618 /nfs/dbraw/zinc/65/06/18/842650618.db2.gz CTLAVRULVRVAOE-MRXNPFEDSA-N -1 3 380.897 3.834 20 0 GHADHM COC(=O)[C@@]1(NCc2nc3c4ccccc4oc3c(=O)[n-]2)CCCC(C)(C)C1 ZINC000599559326 861332488 /nfs/dbraw/zinc/33/24/88/861332488.db2.gz UNRWGYUPPKCRBG-OAQYLSRUSA-N -1 3 383.448 3.683 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1ccc2ncccc2c1 ZINC000548367608 842823151 /nfs/dbraw/zinc/82/31/51/842823151.db2.gz BZDIHVFVAFFJCW-UHFFFAOYSA-N -1 3 399.541 3.584 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1OCCOc1ccccc1 ZINC000247518586 842831318 /nfs/dbraw/zinc/83/13/18/842831318.db2.gz WNZAYCSJJQOZEB-UHFFFAOYSA-N -1 3 392.337 3.534 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1OCCOc1ccccc1 ZINC000247518586 842831329 /nfs/dbraw/zinc/83/13/29/842831329.db2.gz WNZAYCSJJQOZEB-UHFFFAOYSA-N -1 3 392.337 3.534 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC000548371020 842837372 /nfs/dbraw/zinc/83/73/72/842837372.db2.gz LWIKWPSNQMYLHV-CYBMUJFWSA-N -1 3 376.236 3.935 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(OC)c2)c(C)c1C ZINC000663261448 842939789 /nfs/dbraw/zinc/93/97/89/842939789.db2.gz KOXVIRHJXUUSTP-UHFFFAOYSA-N -1 3 387.404 3.723 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(OC)c2)cc1C ZINC000663261105 842942398 /nfs/dbraw/zinc/94/23/98/842942398.db2.gz IZIVCTOMAHETBX-UHFFFAOYSA-N -1 3 387.404 3.723 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000637376836 842948876 /nfs/dbraw/zinc/94/88/76/842948876.db2.gz VYWXHKMAFJIERH-SFYZADRCSA-N -1 3 377.716 3.828 20 0 GHADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c([O-])cccc1F ZINC000185231575 843000109 /nfs/dbraw/zinc/00/01/09/843000109.db2.gz VZYPUJUJCZJANV-QGZVFWFLSA-N -1 3 394.450 3.736 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000026233286 843002963 /nfs/dbraw/zinc/00/29/63/843002963.db2.gz JDMRFXBFQBZKKI-UHFFFAOYSA-N -1 3 375.494 3.892 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[n-]1 ZINC000510601534 843022465 /nfs/dbraw/zinc/02/24/65/843022465.db2.gz OFIFZLGOJMELPO-UHFFFAOYSA-N -1 3 378.253 3.674 20 0 GHADHM Cc1oc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1C ZINC000186480011 843087584 /nfs/dbraw/zinc/08/75/84/843087584.db2.gz JUVINCTYGOESAH-UHFFFAOYSA-N -1 3 393.443 3.745 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)cc1 ZINC000471875410 843155560 /nfs/dbraw/zinc/15/55/60/843155560.db2.gz JSMKERIFELKRRT-AWEZNQCLSA-N -1 3 377.510 3.860 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000326522510 843205176 /nfs/dbraw/zinc/20/51/76/843205176.db2.gz MKDOXOJWVVJYLS-UHFFFAOYSA-N -1 3 389.260 3.659 20 0 GHADHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)c2ccc(Cl)cc21 ZINC001211525743 843434483 /nfs/dbraw/zinc/43/44/83/843434483.db2.gz CQBAMKXVLCIKEI-UHFFFAOYSA-N -1 3 384.835 3.631 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@H](C)CC1 ZINC000731038625 861424745 /nfs/dbraw/zinc/42/47/45/861424745.db2.gz IPGAIBQRVIFVHQ-HOMQSWHASA-N -1 3 396.734 3.968 20 0 GHADHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000581983378 843480165 /nfs/dbraw/zinc/48/01/65/843480165.db2.gz LJPAQVKKSCHSAI-SNVBAGLBSA-N -1 3 379.322 3.682 20 0 GHADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000581983377 843480287 /nfs/dbraw/zinc/48/02/87/843480287.db2.gz LJPAQVKKSCHSAI-JTQLQIEISA-N -1 3 379.322 3.682 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc(Cl)c2O1 ZINC000431159170 843737507 /nfs/dbraw/zinc/73/75/07/843737507.db2.gz GJYFLUDSWRODQF-SSDOTTSWSA-N -1 3 377.771 3.882 20 0 GHADHM Cc1nc(C)c(CC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c(=O)[n-]1 ZINC000509530773 843794345 /nfs/dbraw/zinc/79/43/45/843794345.db2.gz VTMFOGFIYRRONP-UHFFFAOYSA-N -1 3 393.409 3.946 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1Cl ZINC000432779745 843806985 /nfs/dbraw/zinc/80/69/85/843806985.db2.gz IPAQABVWFIVJNY-OAHLLOKOSA-N -1 3 397.880 3.626 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1c(Cl)cncc1Cl ZINC000481473543 861465706 /nfs/dbraw/zinc/46/57/06/861465706.db2.gz OWZIKFZFWNSAHW-UHFFFAOYSA-N -1 3 376.037 3.787 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)Oc2cccc(F)c2)[nH][n-]1 ZINC000512851850 843886391 /nfs/dbraw/zinc/88/63/91/843886391.db2.gz ZTCFYGABAPNXID-NSHDSACASA-N -1 3 389.814 3.706 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])ccc1Cl ZINC000500868987 844715758 /nfs/dbraw/zinc/71/57/58/844715758.db2.gz QUHWVEAYHDAZKL-INIZCTEOSA-N -1 3 382.243 3.603 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2oc3ccccc3c2CSC)s1 ZINC000610895280 844763794 /nfs/dbraw/zinc/76/37/94/844763794.db2.gz IRQZGOZCKVCFFM-UHFFFAOYSA-N -1 3 377.447 3.576 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)cs1 ZINC000052773952 844813299 /nfs/dbraw/zinc/81/32/99/844813299.db2.gz IEEALLUASZOMED-UHFFFAOYSA-N -1 3 389.480 3.933 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC001211837725 844877922 /nfs/dbraw/zinc/87/79/22/844877922.db2.gz QMPGPKOQHBGKIK-UHFFFAOYSA-N -1 3 385.894 3.546 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)ccc1Cl ZINC000603987544 861511689 /nfs/dbraw/zinc/51/16/89/861511689.db2.gz NGJMVCMAEHLGFW-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000611016084 845133391 /nfs/dbraw/zinc/13/33/91/845133391.db2.gz PKYWSSULAIUCBO-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)[N-]C(=O)c1cccs1 ZINC000731268423 861545614 /nfs/dbraw/zinc/54/56/14/861545614.db2.gz GTPNNMVGYJROPA-IRXDYDNUSA-N -1 3 379.437 3.505 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000513349345 845262796 /nfs/dbraw/zinc/26/27/96/845262796.db2.gz WYWXWZNGQUEDOJ-UHFFFAOYSA-N -1 3 393.443 3.710 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc([O-])c2Cl)cc1 ZINC000645143321 845271923 /nfs/dbraw/zinc/27/19/23/845271923.db2.gz JCXQUAILDTVHMN-AWEZNQCLSA-N -1 3 396.940 3.927 20 0 GHADHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000262331755 845333915 /nfs/dbraw/zinc/33/39/15/845333915.db2.gz YEWLIGAXOWWJAQ-UHFFFAOYSA-N -1 3 394.393 3.608 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000513386331 845359347 /nfs/dbraw/zinc/35/93/47/845359347.db2.gz JQBIYFCPNYOULL-UHFFFAOYSA-N -1 3 398.507 3.676 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCOCC1 ZINC000429861485 845406834 /nfs/dbraw/zinc/40/68/34/845406834.db2.gz WGLSHXGGMYWPEZ-CYBMUJFWSA-N -1 3 396.734 3.586 20 0 GHADHM CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1F ZINC000513447608 845472108 /nfs/dbraw/zinc/47/21/08/845472108.db2.gz NAYPVWBHIGEOIH-MRXNPFEDSA-N -1 3 389.814 3.882 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429871910 845609581 /nfs/dbraw/zinc/60/95/81/845609581.db2.gz VEIZHMNWDGLCIP-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM COc1ccc(CCCNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000469113110 845667694 /nfs/dbraw/zinc/66/76/94/845667694.db2.gz ZJZIYPTXXATDIN-UHFFFAOYSA-N -1 3 375.440 3.620 20 0 GHADHM CCCCc1nc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)no1 ZINC000657284900 845670910 /nfs/dbraw/zinc/67/09/10/845670910.db2.gz SVIUJORTNCDUHW-UHFFFAOYSA-N -1 3 396.476 3.598 20 0 GHADHM Cc1ccc(Cl)c(NC(=S)NCCNC(=O)c2ccc([O-])cc2)c1Cl ZINC000728447034 845732196 /nfs/dbraw/zinc/73/21/96/845732196.db2.gz PIWRIHKOIJTWKO-UHFFFAOYSA-N -1 3 398.315 3.724 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1c(F)cncc1F ZINC000511032596 845766209 /nfs/dbraw/zinc/76/62/09/845766209.db2.gz RRESEUORINRHNN-SSDOTTSWSA-N -1 3 384.301 3.557 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1cnc(CC2CC2)s1 ZINC000892146494 846044980 /nfs/dbraw/zinc/04/49/80/846044980.db2.gz LLIAPQKEJHYRKQ-UHFFFAOYSA-N -1 3 377.882 3.915 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2C)cc1 ZINC000057390524 846065646 /nfs/dbraw/zinc/06/56/46/846065646.db2.gz FQYOOUFVNFKYGM-KSSFIOAISA-N -1 3 388.489 3.789 20 0 GHADHM Cc1ccc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)o1 ZINC000582101548 846359470 /nfs/dbraw/zinc/35/94/70/846359470.db2.gz KDRYPYCUJIFEIP-UHFFFAOYSA-N -1 3 388.380 3.573 20 0 GHADHM CC(=O)NCCc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1 ZINC000502745048 846424039 /nfs/dbraw/zinc/42/40/39/846424039.db2.gz VFNGRRVTAZQHKB-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cc2)cc(=O)[n-]1 ZINC000548695625 846501107 /nfs/dbraw/zinc/50/11/07/846501107.db2.gz DJAYXUHFRKXDFF-QGZVFWFLSA-N -1 3 394.406 3.942 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000502843804 846535625 /nfs/dbraw/zinc/53/56/25/846535625.db2.gz RMACREYVXMIRAW-ZDUSSCGKSA-N -1 3 393.534 3.904 20 0 GHADHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000161169142 846550607 /nfs/dbraw/zinc/55/06/07/846550607.db2.gz HUZDBVDBJGEVLX-ZETCQYMHSA-N -1 3 382.290 3.809 20 0 GHADHM CCCc1[nH]ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000421765134 846568713 /nfs/dbraw/zinc/56/87/13/846568713.db2.gz XWMACDKTSYJGAE-UHFFFAOYSA-N -1 3 389.399 3.610 20 0 GHADHM Cc1ccc(C(=O)NC2CCC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000501050271 846578922 /nfs/dbraw/zinc/57/89/22/846578922.db2.gz GETWZACJSINADL-UHFFFAOYSA-N -1 3 396.871 3.871 20 0 GHADHM O=C(NCc1ccccc1Sc1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000503077674 846781393 /nfs/dbraw/zinc/78/13/93/846781393.db2.gz OTQWTFYIPKAZEA-UHFFFAOYSA-N -1 3 388.448 3.651 20 0 GHADHM Cc1nc2cc(NCc3cccc([O-])c3Br)ccc2n1[C@H](C)CO ZINC000419763511 846786256 /nfs/dbraw/zinc/78/62/56/846786256.db2.gz OCXMZTPBYPTKRY-LLVKDONJSA-N -1 3 390.281 3.978 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)cc2)n1 ZINC000152376683 846825161 /nfs/dbraw/zinc/82/51/61/846825161.db2.gz JCMZGKGTODTKIE-JKSUJKDBSA-N -1 3 381.382 3.766 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000503143694 846830080 /nfs/dbraw/zinc/83/00/80/846830080.db2.gz FUQRAPSNXCQDGL-KRWDZBQOSA-N -1 3 387.553 3.651 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(F)(F)F ZINC000277547057 846871901 /nfs/dbraw/zinc/87/19/01/846871901.db2.gz BRLHMPRKOJXVKG-BZNIZROVSA-N -1 3 396.413 3.578 20 0 GHADHM COC(=O)c1nc(NC(=O)c2cc([O-])cc(Br)c2)sc1C1CC1 ZINC000599823357 861736455 /nfs/dbraw/zinc/73/64/55/861736455.db2.gz PPTHLRDNROHSHH-UHFFFAOYSA-N -1 3 397.250 3.528 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000731613139 861743793 /nfs/dbraw/zinc/74/37/93/861743793.db2.gz SGAYYOGWZWEHEZ-ZWKOTPCHSA-N -1 3 393.361 3.646 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000501575329 847031509 /nfs/dbraw/zinc/03/15/09/847031509.db2.gz MDISFLJZSKBLCW-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000501575329 847031515 /nfs/dbraw/zinc/03/15/15/847031515.db2.gz MDISFLJZSKBLCW-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc4ccccc4c3)CCCCC2)no1 ZINC000501679729 847102628 /nfs/dbraw/zinc/10/26/28/847102628.db2.gz ZSIPCNXMHGTYBH-UHFFFAOYSA-N -1 3 385.489 3.810 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c(Cl)c1 ZINC000560007823 847189369 /nfs/dbraw/zinc/18/93/69/847189369.db2.gz SKYLAGASAAHUGQ-UHFFFAOYSA-N -1 3 391.880 3.899 20 0 GHADHM CC[C@@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)c2cccc(Cl)c2O1 ZINC000273256929 847285783 /nfs/dbraw/zinc/28/57/83/847285783.db2.gz YYFRRRDQOUIBSB-CYBMUJFWSA-N -1 3 375.856 3.589 20 0 GHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000273600949 847382167 /nfs/dbraw/zinc/38/21/67/847382167.db2.gz LXIRUMMQMRLGRL-LURJTMIESA-N -1 3 385.820 3.558 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)cc1OC ZINC000420736029 847416959 /nfs/dbraw/zinc/41/69/59/847416959.db2.gz KZDQSLUGQQWGER-CYBMUJFWSA-N -1 3 389.395 3.518 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nc(-c2ccccc2)cs1 ZINC000502049716 847433416 /nfs/dbraw/zinc/43/34/16/847433416.db2.gz KLPAWZDATBSSPW-LLVKDONJSA-N -1 3 392.440 3.576 20 0 GHADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023763087 847565046 /nfs/dbraw/zinc/56/50/46/847565046.db2.gz SGPMWYIIOBKEKL-KBPBESRZSA-N -1 3 384.505 3.905 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(C3CCCC3)cc2)C1=O ZINC000414654733 847582102 /nfs/dbraw/zinc/58/21/02/847582102.db2.gz IVIYRXVDEDRTRJ-FCHUYYIVSA-N -1 3 392.499 3.861 20 0 GHADHM C[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000502211513 847596049 /nfs/dbraw/zinc/59/60/49/847596049.db2.gz WRZXRYJPGZXRSN-OAHLLOKOSA-N -1 3 395.484 3.611 20 0 GHADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503347362 847612670 /nfs/dbraw/zinc/61/26/70/847612670.db2.gz SUICQDXGFLGRPL-UHFFFAOYSA-N -1 3 391.244 3.611 20 0 GHADHM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000420999064 847621231 /nfs/dbraw/zinc/62/12/31/847621231.db2.gz BWFSVDQWVLRQRW-KBPBESRZSA-N -1 3 397.475 3.881 20 0 GHADHM Cc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc(Cl)c1Br ZINC000582565437 847623250 /nfs/dbraw/zinc/62/32/50/847623250.db2.gz HOBPHLMUTYCZKB-GFCCVEGCSA-N -1 3 384.661 3.660 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1F ZINC000503426759 847700152 /nfs/dbraw/zinc/70/01/52/847700152.db2.gz LHKWQVVSZJRACO-UHFFFAOYSA-N -1 3 397.431 3.974 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000421138449 847773301 /nfs/dbraw/zinc/77/33/01/847773301.db2.gz BBDFDPGIJYJIHC-LJQANCHMSA-N -1 3 387.505 3.617 20 0 GHADHM CC(=O)N(Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)C(C)C ZINC000116829367 848052486 /nfs/dbraw/zinc/05/24/86/848052486.db2.gz CZFZDBJJSODHEI-UHFFFAOYSA-N -1 3 377.444 3.537 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000731787551 861870779 /nfs/dbraw/zinc/87/07/79/861870779.db2.gz VQKXEKZEKFPHOM-KHPPLWFESA-N -1 3 389.864 3.789 20 0 GHADHM O=C([O-])[C@H](c1cccnc1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000582730200 848177710 /nfs/dbraw/zinc/17/77/10/848177710.db2.gz KWWYAFZXPGLRMU-JXFKEZNVSA-N -1 3 398.507 3.983 20 0 GHADHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)(C)C ZINC000582852823 848560880 /nfs/dbraw/zinc/56/08/80/848560880.db2.gz WZTOIKPNFQXWKH-CYBMUJFWSA-N -1 3 378.469 3.791 20 0 GHADHM CCc1cc2c(CN[C@](CC)(C(=O)OC)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000731843436 861923976 /nfs/dbraw/zinc/92/39/76/861923976.db2.gz ROJQOTJIUKSDRM-QHCPKHFHSA-N -1 3 395.455 3.629 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2n[n-]c3ccccc3c2=O)c2cccs2)CC1 ZINC000731863924 861937090 /nfs/dbraw/zinc/93/70/90/861937090.db2.gz KDGHMAWQCZPADL-QGZVFWFLSA-N -1 3 396.516 3.600 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)c3nnc4ccccc4c3[O-])oc21 ZINC000731866044 861938531 /nfs/dbraw/zinc/93/85/31/861938531.db2.gz PVCFEOMWJMQBDR-LBPRGKRZSA-N -1 3 377.400 3.971 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2scnc2C(F)(F)F)cc(Cl)c1F ZINC001128546923 861950735 /nfs/dbraw/zinc/95/07/35/861950735.db2.gz BQRFVOCEJOMRCJ-UHFFFAOYSA-N -1 3 382.722 3.993 20 0 GHADHM Cc1ccccc1NC(=O)Cc1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000583174296 849257809 /nfs/dbraw/zinc/25/78/09/849257809.db2.gz WHLDATPWLXHUQJ-UHFFFAOYSA-N -1 3 388.786 3.604 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000278130942 849316544 /nfs/dbraw/zinc/31/65/44/849316544.db2.gz MMXXPQWWTWIWSY-BDJLRTHQSA-N -1 3 396.413 3.578 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1 ZINC000425195327 849771727 /nfs/dbraw/zinc/77/17/27/849771727.db2.gz QPSAMRODSMUBHF-UHFFFAOYSA-N -1 3 386.247 3.666 20 0 GHADHM COC(=O)c1ccc(Cl)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000545936489 849800411 /nfs/dbraw/zinc/80/04/11/849800411.db2.gz NEZFCWYVPFDZIW-UHFFFAOYSA-N -1 3 375.734 3.562 20 0 GHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1)N1CCOCC1 ZINC000583422257 849870523 /nfs/dbraw/zinc/87/05/23/849870523.db2.gz AKIZGRKNVFBALQ-INIZCTEOSA-N -1 3 386.517 3.758 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1)N1CCOCC1 ZINC000583422258 849870861 /nfs/dbraw/zinc/87/08/61/849870861.db2.gz AKIZGRKNVFBALQ-MRXNPFEDSA-N -1 3 386.517 3.758 20 0 GHADHM CCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504244205 849984427 /nfs/dbraw/zinc/98/44/27/849984427.db2.gz CYTIVLHHMNQWOZ-INIZCTEOSA-N -1 3 391.471 3.798 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(F)(F)F)cc1 ZINC000509599102 850094597 /nfs/dbraw/zinc/09/45/97/850094597.db2.gz FOAVIRHEVCXZMW-KRWDZBQOSA-N -1 3 376.334 3.570 20 0 GHADHM CCC(C)(C)OCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000514664178 850123880 /nfs/dbraw/zinc/12/38/80/850123880.db2.gz KUQKNHCSPVKTQB-UHFFFAOYSA-N -1 3 392.257 3.989 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000510028610 850156321 /nfs/dbraw/zinc/15/63/21/850156321.db2.gz JYUVTMNXEUUXFL-AAEUAGOBSA-N -1 3 385.835 3.841 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Br)c(F)c2)C[C@H]1c1ccccc1 ZINC000569575691 850163947 /nfs/dbraw/zinc/16/39/47/850163947.db2.gz PORFAIMYVFTHOQ-LSDHHAIUSA-N -1 3 378.241 3.888 20 0 GHADHM Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000908631351 850227944 /nfs/dbraw/zinc/22/79/44/850227944.db2.gz GLOBAEQFULUPPB-JOCHJYFZSA-N -1 3 381.476 3.544 20 0 GHADHM CC[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC1 ZINC000908748302 850319911 /nfs/dbraw/zinc/31/99/11/850319911.db2.gz CZEOMKPLKKEIHZ-IRXDYDNUSA-N -1 3 393.553 3.558 20 0 GHADHM CC1(C)CCC[C@@](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)(C(=O)[O-])C1 ZINC000908752291 850329372 /nfs/dbraw/zinc/32/93/72/850329372.db2.gz OVRSUZGJPNKUDP-YWZLYKJASA-N -1 3 393.553 3.608 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000908752587 850330643 /nfs/dbraw/zinc/33/06/43/850330643.db2.gz KOOVIRFYSDKYNJ-REWPJTCUSA-N -1 3 397.519 3.541 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908755735 850332581 /nfs/dbraw/zinc/33/25/81/850332581.db2.gz ZEORNYFWZKAWFN-SFTDATJTSA-N -1 3 397.519 3.594 20 0 GHADHM CCCN(C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@H](CC)C(=O)[O-] ZINC000908870287 850419657 /nfs/dbraw/zinc/41/96/57/850419657.db2.gz WZBMIYIPVPVHMU-WOJBJXKFSA-N -1 3 389.540 3.744 20 0 GHADHM CC(C)C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000424389800 850427489 /nfs/dbraw/zinc/42/74/89/850427489.db2.gz LTMPXEHWCYUYSV-DLBZAZTESA-N -1 3 395.569 3.567 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000908997393 850525127 /nfs/dbraw/zinc/52/51/27/850525127.db2.gz KURJBBGJWIIGCD-WIYYLYMNSA-N -1 3 395.503 3.508 20 0 GHADHM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000909000106 850525894 /nfs/dbraw/zinc/52/58/94/850525894.db2.gz DYJRUSIQQGRBOD-GCJKJVERSA-N -1 3 394.515 3.614 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000909002825 850526708 /nfs/dbraw/zinc/52/67/08/850526708.db2.gz VGKDUYLIMACSMG-UEXGIBASSA-N -1 3 395.503 3.507 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cc2)CC1 ZINC000909099174 850570446 /nfs/dbraw/zinc/57/04/46/850570446.db2.gz PGMHPTIERQDTON-LFYBBSHMSA-N -1 3 393.487 3.567 20 0 GHADHM CCC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000515078442 850648975 /nfs/dbraw/zinc/64/89/75/850648975.db2.gz NBJNALRRISMSJS-UHFFFAOYSA-N -1 3 378.222 3.765 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000487568153 850733517 /nfs/dbraw/zinc/73/35/17/850733517.db2.gz QOSXQYIKADAQQT-HNNXBMFYSA-N -1 3 386.373 3.793 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1c(F)cc(Br)cc1F ZINC000435676423 850763800 /nfs/dbraw/zinc/76/38/00/850763800.db2.gz TUEJZSBUMPGJKM-UHFFFAOYSA-N -1 3 378.176 3.792 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Br)CCC2)c1cncc(Cl)c1 ZINC000435735988 850822713 /nfs/dbraw/zinc/82/27/13/850822713.db2.gz SEWIYNKLMQWCMG-UHFFFAOYSA-N -1 3 387.686 3.787 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)cc3)ccc2O1 ZINC000519266266 850822961 /nfs/dbraw/zinc/82/29/61/850822961.db2.gz WFFKOMUWNXBOAJ-NSHDSACASA-N -1 3 387.379 3.752 20 0 GHADHM Cn1cc([C@H]2C[C@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)cn1 ZINC000515310650 850903321 /nfs/dbraw/zinc/90/33/21/850903321.db2.gz XKTQDCQZUUTBMZ-IIBYNOLFSA-N -1 3 393.443 3.568 20 0 GHADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000513832239 850925802 /nfs/dbraw/zinc/92/58/02/850925802.db2.gz GAIKREQSLMDAKD-ZDUSSCGKSA-N -1 3 387.851 3.680 20 0 GHADHM O=S(=O)([N-][C@H]1CCCCc2ccccc21)c1ccc(Br)cn1 ZINC000515369476 850934639 /nfs/dbraw/zinc/93/46/39/850934639.db2.gz QLXAWBFPDXMNCT-HNNXBMFYSA-N -1 3 381.295 3.590 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c(C)o1 ZINC000434267110 850950525 /nfs/dbraw/zinc/95/05/25/850950525.db2.gz QLOFZDAEPJJJOY-GOSISDBHSA-N -1 3 390.505 3.562 20 0 GHADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(SC)ccc1[O-] ZINC000668809590 850990564 /nfs/dbraw/zinc/99/05/64/850990564.db2.gz GPONTILLHPVBSQ-UHFFFAOYSA-N -1 3 389.517 3.844 20 0 GHADHM COC(=O)c1ccc(-c2nc(C(C)(C)c3ccccc3Br)no2)[n-]1 ZINC000426620559 851000432 /nfs/dbraw/zinc/00/04/32/851000432.db2.gz QCIGDJQBQHQINW-UHFFFAOYSA-N -1 3 390.237 3.940 20 0 GHADHM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1OC ZINC000440297602 851015629 /nfs/dbraw/zinc/01/56/29/851015629.db2.gz VYHSWVHRWAFIRL-UHFFFAOYSA-N -1 3 377.462 3.608 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnc(CCC(F)(F)F)s1 ZINC000910153638 851025498 /nfs/dbraw/zinc/02/54/98/851025498.db2.gz FQGFRYYAIJZLPV-UHFFFAOYSA-N -1 3 399.350 3.751 20 0 GHADHM COC(=O)CCSCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000505415543 851063885 /nfs/dbraw/zinc/06/38/85/851063885.db2.gz OUKIKKIYLFLKKF-UHFFFAOYSA-N -1 3 396.468 3.577 20 0 GHADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000729438047 851150706 /nfs/dbraw/zinc/15/07/06/851150706.db2.gz AJPRBWYBTOUEKY-KBPBESRZSA-N -1 3 398.544 3.942 20 0 GHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000546176617 851153228 /nfs/dbraw/zinc/15/32/28/851153228.db2.gz FNWJVMDNDHAIEE-QMMMGPOBSA-N -1 3 378.185 3.598 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)ccc1F ZINC001269794290 851180304 /nfs/dbraw/zinc/18/03/04/851180304.db2.gz FYQYHQYGYJMROR-RDJZCZTQSA-N -1 3 398.544 3.847 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1cc(C(F)(F)F)ccc1F ZINC000443929374 862220277 /nfs/dbraw/zinc/22/02/77/862220277.db2.gz PMWUYBMXXKJPKU-UHFFFAOYSA-N -1 3 388.386 3.597 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H]1c1ccccc1 ZINC000443929078 862221082 /nfs/dbraw/zinc/22/10/82/862221082.db2.gz RCKWMUHZNSCSEZ-QGZVFWFLSA-N -1 3 383.245 3.878 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1cccc(C)c1C ZINC000514106180 851245273 /nfs/dbraw/zinc/24/52/73/851245273.db2.gz WVARAXOGMFZBNS-UHFFFAOYSA-N -1 3 385.489 3.723 20 0 GHADHM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cccc(CN3CCCCC3)c1)C2 ZINC000910500839 851247297 /nfs/dbraw/zinc/24/72/97/851247297.db2.gz BGDVNZYDXSNELH-UHFFFAOYSA-N -1 3 378.472 3.569 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1 ZINC000515616037 851254060 /nfs/dbraw/zinc/25/40/60/851254060.db2.gz MAFIHVXVMJKHHI-UHFFFAOYSA-N -1 3 391.489 3.727 20 0 GHADHM CCn1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C(F)(F)F)n1 ZINC000436145354 851257199 /nfs/dbraw/zinc/25/71/99/851257199.db2.gz HWDAYHMLRPYTKM-UHFFFAOYSA-N -1 3 378.148 3.642 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000436147508 851259748 /nfs/dbraw/zinc/25/97/48/851259748.db2.gz DMWIURBYHSXPFY-UHFFFAOYSA-N -1 3 381.453 3.932 20 0 GHADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ncccc2[O-])c1 ZINC000473626990 851294102 /nfs/dbraw/zinc/29/41/02/851294102.db2.gz DEKTYBFYOKGFRS-UHFFFAOYSA-N -1 3 375.856 3.745 20 0 GHADHM O=C([O-])c1cc(Oc2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc2)ccn1 ZINC000910617749 851294807 /nfs/dbraw/zinc/29/48/07/851294807.db2.gz AJWWWLRBIQKGQR-FQEVSTJZSA-N -1 3 395.459 3.918 20 0 GHADHM CCCCCCN(C)CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910710393 851323595 /nfs/dbraw/zinc/32/35/95/851323595.db2.gz NAESBFDDYYJIFL-KRWDZBQOSA-N -1 3 399.329 3.545 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000473639818 851336807 /nfs/dbraw/zinc/33/68/07/851336807.db2.gz JGGXYPRYOSETPK-UHFFFAOYSA-N -1 3 394.214 3.591 20 0 GHADHM CCc1csc([C@@H](C)[N-]C(=O)C(F)(F)c2ncccc2Br)n1 ZINC000910713736 851358754 /nfs/dbraw/zinc/35/87/54/851358754.db2.gz KQSVBTPGMKUVIF-MRVPVSSYSA-N -1 3 390.253 3.832 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)c(C)c1 ZINC000515699266 851374353 /nfs/dbraw/zinc/37/43/53/851374353.db2.gz KCEJPEGSPRZKFY-UHFFFAOYSA-N -1 3 393.505 3.918 20 0 GHADHM Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c2ccccc2n1 ZINC000430113197 851593111 /nfs/dbraw/zinc/59/31/11/851593111.db2.gz IPRSDAAQKIODBD-UHFFFAOYSA-N -1 3 381.233 3.628 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccc(-n2cccn2)c1 ZINC000555948615 862262535 /nfs/dbraw/zinc/26/25/35/862262535.db2.gz HVINKPPZUBEKFE-NSHDSACASA-N -1 3 397.834 3.843 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1csc(C2CCCCC2)n1 ZINC000911286201 851677413 /nfs/dbraw/zinc/67/74/13/851677413.db2.gz RAUYUTWNQMFKJB-INIZCTEOSA-N -1 3 393.553 3.592 20 0 GHADHM O=C(COc1ccc2c(c1)CCCC2)NCc1ccc([O-])c(Br)c1 ZINC000488671720 851686395 /nfs/dbraw/zinc/68/63/95/851686395.db2.gz COMJWVKMBMQHNK-UHFFFAOYSA-N -1 3 390.277 3.729 20 0 GHADHM O=S(=O)([N-]CCc1cc(F)cc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000488693913 851709757 /nfs/dbraw/zinc/70/97/57/851709757.db2.gz HRZROZJZBCTORX-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ccccc2n1)c1ccc(F)cc1C(F)(F)F ZINC000488701893 851713435 /nfs/dbraw/zinc/71/34/35/851713435.db2.gz ZOBOHDQXUZHJDW-UHFFFAOYSA-N -1 3 398.381 3.914 20 0 GHADHM Cc1[n-]ncc1S(=O)(=O)Oc1c(Cl)cc(Cl)cc1Br ZINC000805137242 883617808 /nfs/dbraw/zinc/61/78/08/883617808.db2.gz TVGCRWQAIDNOTK-UHFFFAOYSA-N -1 3 386.054 3.555 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(Cl)c1Br ZINC000550193594 851857493 /nfs/dbraw/zinc/85/74/93/851857493.db2.gz HAKMMLDKPXNFIH-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(Cl)c1Br ZINC000550193594 851857502 /nfs/dbraw/zinc/85/75/02/851857502.db2.gz HAKMMLDKPXNFIH-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1ccc(OC(C)C)cc1 ZINC000515922932 851928873 /nfs/dbraw/zinc/92/88/73/851928873.db2.gz VIZLDIXTBGZZIN-UHFFFAOYSA-N -1 3 386.839 3.974 20 0 GHADHM O=C(Cc1ccc(I)cc1)Nc1cc(Cl)ccc1[O-] ZINC000489057623 851973240 /nfs/dbraw/zinc/97/32/40/851973240.db2.gz AFRXPXCMDHAELZ-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(-c2ccoc2)c1 ZINC000436520035 852010647 /nfs/dbraw/zinc/01/06/47/852010647.db2.gz ZRMLCBXFCOJFKV-UHFFFAOYSA-N -1 3 390.439 3.687 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000111994812 852015740 /nfs/dbraw/zinc/01/57/40/852015740.db2.gz IOFRRGIDALYUAP-CQSZACIVSA-N -1 3 380.897 3.534 20 0 GHADHM C[S@@](=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436554555 852043060 /nfs/dbraw/zinc/04/30/60/852043060.db2.gz JXQIALCNPYHRKP-HHHXNRCGSA-N -1 3 381.453 3.961 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC1(Cc2ccccc2Br)CC1 ZINC000489138354 852056336 /nfs/dbraw/zinc/05/63/36/852056336.db2.gz LMLCYZSGTMJLFS-UHFFFAOYSA-N -1 3 393.256 3.868 20 0 GHADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436543103 852057409 /nfs/dbraw/zinc/05/74/09/852057409.db2.gz JWUYMTNBXKBOBZ-KRWDZBQOSA-N -1 3 396.487 3.953 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c([O-])c1C ZINC000436558576 852062181 /nfs/dbraw/zinc/06/21/81/852062181.db2.gz QFNWTQXZIBDLMA-HUUCEWRRSA-N -1 3 382.460 3.511 20 0 GHADHM C[C@@H]1CN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3[O-])c2)CCO1 ZINC000436558237 852062438 /nfs/dbraw/zinc/06/24/38/852062438.db2.gz WZSAUUJGODUQNZ-QGZVFWFLSA-N -1 3 390.483 3.696 20 0 GHADHM CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560050 852064070 /nfs/dbraw/zinc/06/40/70/852064070.db2.gz ZXSWIIMIMBQCDY-TYCQWZJGSA-N -1 3 380.488 3.948 20 0 GHADHM O=C(CCCCCNC(=O)NC1CCCCC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000604601250 862317010 /nfs/dbraw/zinc/31/70/10/862317010.db2.gz XCVBFZXDEKDTPX-UHFFFAOYSA-N -1 3 397.523 3.629 20 0 GHADHM CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000436571818 852073380 /nfs/dbraw/zinc/07/33/80/852073380.db2.gz WZUUASOYJMXGOA-KRWDZBQOSA-N -1 3 388.464 3.809 20 0 GHADHM CCc1nnc(-c2cccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)c2)o1 ZINC000436574514 852077636 /nfs/dbraw/zinc/07/76/36/852077636.db2.gz MGIAMCRSIYTYJB-UHFFFAOYSA-N -1 3 379.416 3.970 20 0 GHADHM Cc1cc(C)c(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c(=O)[nH]1 ZINC000436591799 852078212 /nfs/dbraw/zinc/07/82/12/852078212.db2.gz YGYHZAOABATDJS-UHFFFAOYSA-N -1 3 376.456 3.825 20 0 GHADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436591770 852078377 /nfs/dbraw/zinc/07/83/77/852078377.db2.gz YDUBYGDTZVQKKE-UHFFFAOYSA-N -1 3 398.459 3.678 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000112218420 852122381 /nfs/dbraw/zinc/12/23/81/852122381.db2.gz QRNZIYMWGQGWOI-NRFANRHFSA-N -1 3 395.503 3.565 20 0 GHADHM O=C(Nc1cccc(-c2nccs2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619455 852133488 /nfs/dbraw/zinc/13/34/88/852133488.db2.gz WQIAGTQFVRLVOU-KRWDZBQOSA-N -1 3 393.468 3.759 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])c(OCC(F)(F)F)c1 ZINC000436655358 852145794 /nfs/dbraw/zinc/14/57/94/852145794.db2.gz LFYOFMQVVUOGNT-UHFFFAOYSA-N -1 3 383.322 3.681 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOc2cc(O)ccc2C1 ZINC000436648987 852158682 /nfs/dbraw/zinc/15/86/82/852158682.db2.gz PUZBUGWBKRSULJ-UHFFFAOYSA-N -1 3 375.424 3.723 20 0 GHADHM O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436682671 852190926 /nfs/dbraw/zinc/19/09/26/852190926.db2.gz RBJUIWSJRBTKAV-MRXNPFEDSA-N -1 3 399.516 3.751 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cn2)n1 ZINC000436684284 852194917 /nfs/dbraw/zinc/19/49/17/852194917.db2.gz ZWIBBPDQWXHFNX-UHFFFAOYSA-N -1 3 378.432 3.556 20 0 GHADHM COc1ccc2cc(CN3CCN(C(=O)c4ccccc4[O-])CC3)ccc2c1 ZINC000436695625 852209326 /nfs/dbraw/zinc/20/93/26/852209326.db2.gz GDGMYHSPGJNPKE-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@H]1CC(F)F ZINC000436697218 852213296 /nfs/dbraw/zinc/21/32/96/852213296.db2.gz JATKRSAGIJHYQN-QGZVFWFLSA-N -1 3 375.415 3.674 20 0 GHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1[O-] ZINC000436720758 852245166 /nfs/dbraw/zinc/24/51/66/852245166.db2.gz UYHFCSORMQZGIE-UHFFFAOYSA-N -1 3 379.378 3.889 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](CC2CC2)C1 ZINC000436722460 852248223 /nfs/dbraw/zinc/24/82/23/852248223.db2.gz NPXDJKFZJWOBFB-GCJKJVERSA-N -1 3 392.499 3.902 20 0 GHADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436724052 852249507 /nfs/dbraw/zinc/24/95/07/852249507.db2.gz MXAMIYBQPVVQFI-QGZVFWFLSA-N -1 3 392.421 3.597 20 0 GHADHM C[C@H](c1ccccc1Br)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436729732 852269512 /nfs/dbraw/zinc/26/95/12/852269512.db2.gz BYAOBHUHHRVAJY-CQSZACIVSA-N -1 3 389.293 3.674 20 0 GHADHM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436732788 852272671 /nfs/dbraw/zinc/27/26/71/852272671.db2.gz ATAWMNLKYUEGPY-HXUWFJFHSA-N -1 3 386.536 3.919 20 0 GHADHM O=C([O-])COc1ccc(CCNCc2cc(Cl)ccc2Br)cc1 ZINC000426700475 852284538 /nfs/dbraw/zinc/28/45/38/852284538.db2.gz RFXOQVDTMXSLIK-UHFFFAOYSA-N -1 3 398.684 3.898 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Br)cc2ccccc21 ZINC000473849756 852285685 /nfs/dbraw/zinc/28/56/85/852285685.db2.gz MCEURSKXANMKFH-MRXNPFEDSA-N -1 3 386.249 3.851 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436748205 852287433 /nfs/dbraw/zinc/28/74/33/852287433.db2.gz DSTXWDDMIMGHAP-UHFFFAOYSA-N -1 3 397.475 3.559 20 0 GHADHM CNC(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436757178 852303675 /nfs/dbraw/zinc/30/36/75/852303675.db2.gz HIMYQSYBKBQRBJ-UHFFFAOYSA-N -1 3 391.427 3.975 20 0 GHADHM Cn1c(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])nc2ccccc21 ZINC000426719294 852304909 /nfs/dbraw/zinc/30/49/09/852304909.db2.gz FQVKJPAUEYLYRS-HNNXBMFYSA-N -1 3 378.259 3.666 20 0 GHADHM CC(C)SCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436766821 852322760 /nfs/dbraw/zinc/32/27/60/852322760.db2.gz DWWXMMAYUISEEC-IBGZPJMESA-N -1 3 386.517 3.511 20 0 GHADHM C[C@H]1CCN(c2cc(C(=O)Nc3cc(Br)ccc3[O-])ccn2)C1 ZINC000436799913 852331735 /nfs/dbraw/zinc/33/17/35/852331735.db2.gz RGXLURORTHPELD-NSHDSACASA-N -1 3 376.254 3.648 20 0 GHADHM Cc1ccc(CN[C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])nc1 ZINC000426737045 852333491 /nfs/dbraw/zinc/33/34/91/852333491.db2.gz LHTPRNQHKXWMTG-KRWDZBQOSA-N -1 3 387.892 3.952 20 0 GHADHM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1ccn(-c2ccccc2)n1 ZINC000426745195 852344246 /nfs/dbraw/zinc/34/42/46/852344246.db2.gz ZKLCNJQDAPIGPD-GOSISDBHSA-N -1 3 390.270 3.965 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3cc(NC(C)=O)ccc3[O-])cc2)c1 ZINC000436792772 852350047 /nfs/dbraw/zinc/35/00/47/852350047.db2.gz XOWJVOLGDPYOFB-UHFFFAOYSA-N -1 3 390.439 3.956 20 0 GHADHM CC(C)[C@@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436794178 852350802 /nfs/dbraw/zinc/35/08/02/852350802.db2.gz AQPCUDPPJBMHDR-HXUWFJFHSA-N -1 3 386.536 3.966 20 0 GHADHM CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436797020 852354068 /nfs/dbraw/zinc/35/40/68/852354068.db2.gz YMHCJIXUXDXSSV-UHFFFAOYSA-N -1 3 394.265 3.704 20 0 GHADHM CCn1nc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c2ccccc21 ZINC000426752270 852359769 /nfs/dbraw/zinc/35/97/69/852359769.db2.gz BUFBJHMMLREPET-INIZCTEOSA-N -1 3 375.831 3.634 20 0 GHADHM CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436827426 852377283 /nfs/dbraw/zinc/37/72/83/852377283.db2.gz JTHVTTRWNYZVDT-SJORKVTESA-N -1 3 394.393 3.711 20 0 GHADHM Cc1ccc(-c2nc(CN[C@H](Cc3ccc4c(c3)OCO4)C(=O)[O-])cs2)cc1 ZINC000426772578 852377653 /nfs/dbraw/zinc/37/76/53/852377653.db2.gz KRCPXAKIDCXOTN-QGZVFWFLSA-N -1 3 396.468 3.633 20 0 GHADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436832225 852380937 /nfs/dbraw/zinc/38/09/37/852380937.db2.gz HEFNTKZLBIRYMQ-HNNXBMFYSA-N -1 3 379.840 3.523 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)c([O-])c1 ZINC000436820898 852388877 /nfs/dbraw/zinc/38/88/77/852388877.db2.gz UCBCDDVOKTWKHJ-UHFFFAOYSA-N -1 3 391.427 3.863 20 0 GHADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(F)ccc([O-])c1F ZINC000506963900 852391729 /nfs/dbraw/zinc/39/17/29/852391729.db2.gz SRNBWVVCMHGJHV-UHFFFAOYSA-N -1 3 388.336 3.938 20 0 GHADHM CCc1ccc(C(=O)NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)c([O-])c1 ZINC000436826015 852394266 /nfs/dbraw/zinc/39/42/66/852394266.db2.gz NCHHJUANOJKLFG-FQEVSTJZSA-N -1 3 394.515 3.869 20 0 GHADHM Cc1c(Cl)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)nc2ccccc12 ZINC000436843825 852408790 /nfs/dbraw/zinc/40/87/90/852408790.db2.gz KDXLOZVQPBYEHS-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000436847401 852413994 /nfs/dbraw/zinc/41/39/94/852413994.db2.gz JXPLQTULQVWVKX-PKOBYXMFSA-N -1 3 393.405 3.705 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(OC(F)F)c2)cc1OC ZINC000426808579 852419555 /nfs/dbraw/zinc/41/95/55/852419555.db2.gz NJHIPLWXJTVTHQ-HNNXBMFYSA-N -1 3 381.375 3.611 20 0 GHADHM C[C@@H]1CC[C@@H](N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436876438 852447062 /nfs/dbraw/zinc/44/70/62/852447062.db2.gz IWGCWUMEVAGTLL-OZOXKJRCSA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911184 852476594 /nfs/dbraw/zinc/47/65/94/852476594.db2.gz FDHCORRRTLUUCF-RTWAWAEBSA-N -1 3 380.488 3.900 20 0 GHADHM O=C(Nc1cccc2c1OCC(=O)N2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436932180 852490950 /nfs/dbraw/zinc/49/09/50/852490950.db2.gz BASSFVHQYLHIPW-UHFFFAOYSA-N -1 3 376.368 3.768 20 0 GHADHM COc1ccc(Cc2noc(-c3ccccc3[O-])n2)c(Br)c1OC ZINC000436918241 852497648 /nfs/dbraw/zinc/49/76/48/852497648.db2.gz FOHBCAWTCITHSX-UHFFFAOYSA-N -1 3 391.221 3.813 20 0 GHADHM CC(C)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436917753 852498063 /nfs/dbraw/zinc/49/80/63/852498063.db2.gz FCMZPXGPAUXGTE-UHFFFAOYSA-N -1 3 381.476 3.942 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489695648 852530715 /nfs/dbraw/zinc/53/07/15/852530715.db2.gz DHHXAKLMVFUGLC-NEPJUHHUSA-N -1 3 399.406 3.596 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H](C)c2ccccc2)c1 ZINC000436957482 852548970 /nfs/dbraw/zinc/54/89/70/852548970.db2.gz VNTHYWNWMKCDER-CQSZACIVSA-N -1 3 393.443 3.865 20 0 GHADHM CN1CCN(Cc2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2)CC1 ZINC000517882976 852552580 /nfs/dbraw/zinc/55/25/80/852552580.db2.gz GCDLDCNCVJCHDA-UHFFFAOYSA-N -1 3 375.472 3.545 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2nccn2CC(F)(F)F)c([O-])c1 ZINC000436972603 852556436 /nfs/dbraw/zinc/55/64/36/852556436.db2.gz PLHCFSSEQYQBPB-UHFFFAOYSA-N -1 3 385.386 3.602 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(F)cc3c2OCOC3)c([O-])c1 ZINC000436972690 852556448 /nfs/dbraw/zinc/55/64/48/852556448.db2.gz PYYKCNJWYZSKIM-UHFFFAOYSA-N -1 3 375.396 3.507 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cc3cccc(F)c3o2)c([O-])c1 ZINC000436988239 852576245 /nfs/dbraw/zinc/57/62/45/852576245.db2.gz WVPLDDRTBHBOFA-CYBMUJFWSA-N -1 3 384.407 3.583 20 0 GHADHM CC[C@H](Cc1ccccc1Br)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473856916 852885451 /nfs/dbraw/zinc/88/54/51/852885451.db2.gz MPZWHBZGEFCNPA-WBMJQRKESA-N -1 3 392.297 3.653 20 0 GHADHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000427252015 852905974 /nfs/dbraw/zinc/90/59/74/852905974.db2.gz ZGTZMGAOLHQYPY-WNDFPBNNSA-N -1 3 398.377 3.660 20 0 GHADHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000490295488 852910270 /nfs/dbraw/zinc/91/02/70/852910270.db2.gz CEYDSGKZLYEWIW-UHFFFAOYSA-N -1 3 398.200 3.848 20 0 GHADHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000507527891 853011972 /nfs/dbraw/zinc/01/19/72/853011972.db2.gz JKZIQCHUUWHSLD-UHFFFAOYSA-N -1 3 381.382 3.950 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c(C)c1 ZINC000518276930 853169476 /nfs/dbraw/zinc/16/94/76/853169476.db2.gz NRTUHNHDJWPKNC-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299713 853210533 /nfs/dbraw/zinc/21/05/33/853210533.db2.gz QJJRYEGTBJRMCW-OAHLLOKOSA-N -1 3 393.443 3.654 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299713 853210540 /nfs/dbraw/zinc/21/05/40/853210540.db2.gz QJJRYEGTBJRMCW-OAHLLOKOSA-N -1 3 393.443 3.654 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000913302031 853217471 /nfs/dbraw/zinc/21/74/71/853217471.db2.gz LNUFVIBXIHGFAP-KBPBESRZSA-N -1 3 379.416 3.583 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000913302031 853217477 /nfs/dbraw/zinc/21/74/77/853217477.db2.gz LNUFVIBXIHGFAP-KBPBESRZSA-N -1 3 379.416 3.583 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000913302132 853225534 /nfs/dbraw/zinc/22/55/34/853225534.db2.gz OQCBWIZHUCGZGC-IUODEOHRSA-N -1 3 385.445 3.640 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000913302132 853225542 /nfs/dbraw/zinc/22/55/42/853225542.db2.gz OQCBWIZHUCGZGC-IUODEOHRSA-N -1 3 385.445 3.640 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000518347842 853228088 /nfs/dbraw/zinc/22/80/88/853228088.db2.gz IYIVXYIIZQXEJQ-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000518347842 853228094 /nfs/dbraw/zinc/22/80/94/853228094.db2.gz IYIVXYIIZQXEJQ-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)cnn1C1CCOCC1 ZINC000295630683 853286813 /nfs/dbraw/zinc/28/68/13/853286813.db2.gz AAXWHKSKBBLIRW-UHFFFAOYSA-N -1 3 394.269 3.572 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(c2cccc(F)c2)C1)c1cccc(Cl)c1F ZINC000604769916 862463808 /nfs/dbraw/zinc/46/38/08/862463808.db2.gz LWOSBOMYCNUGCV-ZDUSSCGKSA-N -1 3 386.851 3.566 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000623851009 862468792 /nfs/dbraw/zinc/46/87/92/862468792.db2.gz YJXBVRSJAHOEPW-HOTGVXAUSA-N -1 3 386.492 3.880 20 0 GHADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)o1 ZINC000439242509 853470369 /nfs/dbraw/zinc/47/03/69/853470369.db2.gz BBNAPWWOBPCBII-UHFFFAOYSA-N -1 3 397.229 3.941 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000440702329 853543445 /nfs/dbraw/zinc/54/34/45/853543445.db2.gz DKZUAVCLYMLNBI-TYFHEEPYSA-N -1 3 383.835 3.742 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000520037924 853772547 /nfs/dbraw/zinc/77/25/47/853772547.db2.gz OZPXTSQKCRXKNI-UHFFFAOYSA-N -1 3 393.358 3.671 20 0 GHADHM O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440979745 853807188 /nfs/dbraw/zinc/80/71/88/853807188.db2.gz HWQOGXLIXLUEGC-UHFFFAOYSA-N -1 3 387.402 3.762 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000055663562 854050434 /nfs/dbraw/zinc/05/04/34/854050434.db2.gz DQHACBNFBNIKBY-UHFFFAOYSA-N -1 3 376.453 3.706 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732833693 862532866 /nfs/dbraw/zinc/53/28/66/862532866.db2.gz DPASSAJRBOXQCA-FQEVSTJZSA-N -1 3 392.499 3.600 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000047034997 854307746 /nfs/dbraw/zinc/30/77/46/854307746.db2.gz ZBAIPWVAZDDFMV-CZUORRHYSA-N -1 3 393.915 3.984 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000056072512 854315382 /nfs/dbraw/zinc/31/53/82/854315382.db2.gz QDPDAXYQNJGXNV-HNNXBMFYSA-N -1 3 385.892 3.731 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000729489759 854330128 /nfs/dbraw/zinc/33/01/28/854330128.db2.gz KTLYLVNYOONTFF-UHFFFAOYSA-N -1 3 397.324 3.529 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(Br)cc1 ZINC000481972036 862563878 /nfs/dbraw/zinc/56/38/78/862563878.db2.gz IHHIJJWMNAKVAS-UHFFFAOYSA-N -1 3 392.221 3.894 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4ccccc4)CCOCC3)nc2)n1 ZINC000068665426 854607580 /nfs/dbraw/zinc/60/75/80/854607580.db2.gz CTKPYWLPYBDSTA-UHFFFAOYSA-N -1 3 390.487 3.555 20 0 GHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330413248 854667992 /nfs/dbraw/zinc/66/79/92/854667992.db2.gz LWMWXBBCHMYYSC-SECBINFHSA-N -1 3 384.723 3.584 20 0 GHADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330413249 854668197 /nfs/dbraw/zinc/66/81/97/854668197.db2.gz LWMWXBBCHMYYSC-VIFPVBQESA-N -1 3 384.723 3.584 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000330625795 854711939 /nfs/dbraw/zinc/71/19/39/854711939.db2.gz ICANLSLZLCSHFW-WCQYABFASA-N -1 3 385.835 3.841 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000617840083 854785378 /nfs/dbraw/zinc/78/53/78/854785378.db2.gz YELWOQVYFSDTGZ-FQEVSTJZSA-N -1 3 377.843 3.635 20 0 GHADHM COC(=O)c1sc2ccccc2c1CNC(=O)c1cc([O-])ccc1Cl ZINC000589387333 854844741 /nfs/dbraw/zinc/84/47/41/854844741.db2.gz OEGBISOXGOSFBO-UHFFFAOYSA-N -1 3 375.833 3.977 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccco1)Sc1ccc(Br)cc1 ZINC000188681185 854900595 /nfs/dbraw/zinc/90/05/95/854900595.db2.gz MDVBEGWWBZCBFK-SNVBAGLBSA-N -1 3 376.297 3.501 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000589556554 855025257 /nfs/dbraw/zinc/02/52/57/855025257.db2.gz FJPMQJWULLKMCB-UHFFFAOYSA-N -1 3 395.452 3.817 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)OCCCO2)c1c(Cl)cccc1Cl ZINC000589629639 855080134 /nfs/dbraw/zinc/08/01/34/855080134.db2.gz ZLYLJRNDSQXHJC-UHFFFAOYSA-N -1 3 388.272 3.633 20 0 GHADHM Cc1ccsc1CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482047267 862638429 /nfs/dbraw/zinc/63/84/29/862638429.db2.gz JXVRJFSGWWTACL-UHFFFAOYSA-N -1 3 379.283 3.553 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCS[C@@H](CC)C3)nc(=O)c2c1C ZINC000253550074 855221516 /nfs/dbraw/zinc/22/15/16/855221516.db2.gz PKNIKPNYCHRVDP-NEPJUHHUSA-N -1 3 395.550 3.770 20 0 GHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc(C45CC6CC(CC(C6)C4)C5)s3)c2n1 ZINC000590015197 855226775 /nfs/dbraw/zinc/22/67/75/855226775.db2.gz NTGKKILSSXSCBI-UHFFFAOYSA-N -1 3 394.504 3.609 20 0 GHADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000057125401 855227629 /nfs/dbraw/zinc/22/76/29/855227629.db2.gz XJNLFIUUSPRNET-UHFFFAOYSA-N -1 3 376.478 3.889 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1oc2ccccc2c1C ZINC000190390388 855306505 /nfs/dbraw/zinc/30/65/05/855306505.db2.gz OPGKYFWKIYHGMG-GFCCVEGCSA-N -1 3 391.420 3.706 20 0 GHADHM O=C(Nc1ccc(O)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000057289253 855339872 /nfs/dbraw/zinc/33/98/72/855339872.db2.gz ONAGTEPHILISEH-UHFFFAOYSA-N -1 3 386.404 3.584 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055638510 855365866 /nfs/dbraw/zinc/36/58/66/855365866.db2.gz ZLTWOEQIKQYWHT-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n[n-]2)o1 ZINC000733055051 862683285 /nfs/dbraw/zinc/68/32/85/862683285.db2.gz DDEFFCTUJZZKHI-AWEZNQCLSA-N -1 3 389.452 3.782 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[n-]n2)o1 ZINC000733055051 862683291 /nfs/dbraw/zinc/68/32/91/862683291.db2.gz DDEFFCTUJZZKHI-AWEZNQCLSA-N -1 3 389.452 3.782 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC[C@H]1c1ccccc1 ZINC000053085418 855544209 /nfs/dbraw/zinc/54/42/09/855544209.db2.gz HURLEYBORZBBAO-IBGZPJMESA-N -1 3 399.447 3.542 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)no1 ZINC000108251107 855781200 /nfs/dbraw/zinc/78/12/00/855781200.db2.gz JWEYLPQOOCCAEM-UHFFFAOYSA-N -1 3 397.815 3.550 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)no1 ZINC000108251072 855781314 /nfs/dbraw/zinc/78/13/14/855781314.db2.gz POFYJRRYZHWOPF-UHFFFAOYSA-N -1 3 387.461 3.881 20 0 GHADHM CCCn1cc(CN[C@@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417642820 855789557 /nfs/dbraw/zinc/78/95/57/855789557.db2.gz XHFZSBJETOFARF-MLGOLLRUSA-N -1 3 380.286 3.607 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000614622554 855801738 /nfs/dbraw/zinc/80/17/38/855801738.db2.gz URSLSWAUAVZLKW-CABZTGNLSA-N -1 3 388.258 3.783 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1-c1ccccc1)c1ccc(F)cc1F ZINC000520625910 855852746 /nfs/dbraw/zinc/85/27/46/855852746.db2.gz GILBIPXSLPDCGT-UHFFFAOYSA-N -1 3 389.423 3.989 20 0 GHADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000573123911 855853981 /nfs/dbraw/zinc/85/39/81/855853981.db2.gz QKXCOJFSWOPNCD-INIZCTEOSA-N -1 3 384.476 3.939 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000101570182 855875915 /nfs/dbraw/zinc/87/59/15/855875915.db2.gz CSZYALJWWWTTME-WDEREUQCSA-N -1 3 399.818 3.526 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccccc3)nc(=O)c2c1C ZINC000057406053 855882520 /nfs/dbraw/zinc/88/25/20/855882520.db2.gz ONWVNBLRAURSSO-CYBMUJFWSA-N -1 3 385.489 3.663 20 0 GHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000485078833 856076315 /nfs/dbraw/zinc/07/63/15/856076315.db2.gz MWBGVBCLUMBBDX-UHFFFAOYSA-N -1 3 379.503 3.510 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436691816 856077798 /nfs/dbraw/zinc/07/77/98/856077798.db2.gz ZIHYZPKUFGGUPK-UHFFFAOYSA-N -1 3 375.178 3.909 20 0 GHADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc21 ZINC000485111610 856108673 /nfs/dbraw/zinc/10/86/73/856108673.db2.gz BPEWHKLKVYMJKQ-UHFFFAOYSA-N -1 3 387.399 3.700 20 0 GHADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc21 ZINC000485111610 856108678 /nfs/dbraw/zinc/10/86/78/856108678.db2.gz BPEWHKLKVYMJKQ-UHFFFAOYSA-N -1 3 387.399 3.700 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485118372 856114609 /nfs/dbraw/zinc/11/46/09/856114609.db2.gz JKECWZKXMYTMIR-UHFFFAOYSA-N -1 3 390.399 3.828 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1cccc(Cl)c1F ZINC000032436263 856230702 /nfs/dbraw/zinc/23/07/02/856230702.db2.gz HQSSWSQOLSCGEX-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427633087 856235567 /nfs/dbraw/zinc/23/55/67/856235567.db2.gz YZWOCZCHPSDLCO-UHFFFAOYSA-N -1 3 379.485 3.754 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C)c1OCc1cccnc1 ZINC000032627376 856244991 /nfs/dbraw/zinc/24/49/91/856244991.db2.gz GFAWORXNRUYXER-UHFFFAOYSA-N -1 3 391.353 3.667 20 0 GHADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C)c1OCc1cccnc1 ZINC000032627376 856244996 /nfs/dbraw/zinc/24/49/96/856244996.db2.gz GFAWORXNRUYXER-UHFFFAOYSA-N -1 3 391.353 3.667 20 0 GHADHM O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc([O-])ccc1Cl ZINC000573492018 856255883 /nfs/dbraw/zinc/25/58/83/856255883.db2.gz RWQFAVOCLHXREO-SFHVURJKSA-N -1 3 395.286 3.502 20 0 GHADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000171818315 856275320 /nfs/dbraw/zinc/27/53/20/856275320.db2.gz HYAJVRCVHGQUIB-UHFFFAOYSA-N -1 3 396.501 3.910 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000033181448 856281948 /nfs/dbraw/zinc/28/19/48/856281948.db2.gz JMHJGJBJNFSGRC-GDBMZVCRSA-N -1 3 390.480 3.935 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000033181439 856282428 /nfs/dbraw/zinc/28/24/28/856282428.db2.gz ZQGYSJLAOIYHNZ-HOCLYGCPSA-N -1 3 390.480 3.935 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000507815582 856316712 /nfs/dbraw/zinc/31/67/12/856316712.db2.gz RIIAOQIAPQVDGL-IUODEOHRSA-N -1 3 379.888 3.594 20 0 GHADHM C[C@@H](Cc1cccs1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172001058 856319640 /nfs/dbraw/zinc/31/96/40/856319640.db2.gz DSRKSCVXONSUTD-JTQLQIEISA-N -1 3 391.290 3.713 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000042091338 856347223 /nfs/dbraw/zinc/34/72/23/856347223.db2.gz VOJLDXSOFZWBLJ-UHFFFAOYSA-N -1 3 389.242 3.628 20 0 GHADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471881261 856433642 /nfs/dbraw/zinc/43/36/42/856433642.db2.gz RYAQCNJJRCDEMM-UHFFFAOYSA-N -1 3 384.457 3.949 20 0 GHADHM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485396002 856441697 /nfs/dbraw/zinc/44/16/97/856441697.db2.gz RSSHVZHTPQKUBO-UHFFFAOYSA-N -1 3 390.480 3.692 20 0 GHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485398317 856445405 /nfs/dbraw/zinc/44/54/05/856445405.db2.gz JJSRSTQCHIUTSS-UHFFFAOYSA-N -1 3 397.493 3.650 20 0 GHADHM CCCc1c(NC(=O)c2cc3c(cc2[O-])OCO3)cnn1-c1cccc(F)c1 ZINC000436836587 856466131 /nfs/dbraw/zinc/46/61/31/856466131.db2.gz ZVWPDKXGOKWPGH-UHFFFAOYSA-N -1 3 383.379 3.651 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043045509 856479555 /nfs/dbraw/zinc/47/95/55/856479555.db2.gz NRBPYLVEBHHOAV-CJNGLKHVSA-N -1 3 393.915 3.984 20 0 GHADHM C[C@@H](NC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)c1ncc(C(=O)[O-])s1 ZINC000905720730 856492213 /nfs/dbraw/zinc/49/22/13/856492213.db2.gz SJYMRAPNJPHTQJ-GFCCVEGCSA-N -1 3 395.525 3.672 20 0 GHADHM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc([O-])c2ccccc2c1 ZINC000472224669 856568392 /nfs/dbraw/zinc/56/83/92/856568392.db2.gz PPGARGKBPBCNPE-UHFFFAOYSA-N -1 3 375.403 3.843 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000472267919 856595650 /nfs/dbraw/zinc/59/56/50/856595650.db2.gz KISMFWPMFQUYLX-QGZVFWFLSA-N -1 3 377.366 3.929 20 0 GHADHM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000669434651 856663169 /nfs/dbraw/zinc/66/31/69/856663169.db2.gz IIZGIFXLFANVDP-XLIONFOSSA-N -1 3 396.462 3.643 20 0 GHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1)c1ccccc1 ZINC000507918768 856665780 /nfs/dbraw/zinc/66/57/80/856665780.db2.gz GYCXGFOHPULPFQ-GOSISDBHSA-N -1 3 387.457 3.748 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(COCC(F)(F)F)cc3)no1)OCO2 ZINC000436887741 856669218 /nfs/dbraw/zinc/66/92/18/856669218.db2.gz PEKUYBNKBJKTBD-UHFFFAOYSA-N -1 3 394.305 3.917 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1)c1ccco1 ZINC000427811040 856754154 /nfs/dbraw/zinc/75/41/54/856754154.db2.gz KLHCARIPHGGICA-LJQANCHMSA-N -1 3 375.421 3.804 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4cc(C)cn4)cc3)c2)n1 ZINC000046067347 856804968 /nfs/dbraw/zinc/80/49/68/856804968.db2.gz QRCLINQFSLQQRB-UHFFFAOYSA-N -1 3 399.454 3.746 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000605158198 862847344 /nfs/dbraw/zinc/84/73/44/862847344.db2.gz LIKCIMRVSLKRLY-NRFANRHFSA-N -1 3 394.496 3.794 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC4(CCCCC4)C3)nc(=O)c2c1C ZINC000111323822 856888879 /nfs/dbraw/zinc/88/88/79/856888879.db2.gz CLPOPIHTLHPEIN-UHFFFAOYSA-N -1 3 389.521 3.626 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508073145 856892115 /nfs/dbraw/zinc/89/21/15/856892115.db2.gz JFULKMGEMLOXSW-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2C)cc1Cl ZINC000111367982 856899802 /nfs/dbraw/zinc/89/98/02/856899802.db2.gz YATWDVKGSZUSHJ-MGNBDDOMSA-N -1 3 396.871 3.649 20 0 GHADHM COc1cc(C(=O)[N-]c2ncnc3c2c(C)c(C)n3-c2cccc(C)c2)on1 ZINC000485667033 856900344 /nfs/dbraw/zinc/90/03/44/856900344.db2.gz KALCMAHDXOXDNW-UHFFFAOYSA-N -1 3 377.404 3.595 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C1(c2noc(C)n2)CCCCCC1 ZINC000624847611 856905475 /nfs/dbraw/zinc/90/54/75/856905475.db2.gz NIRHQAREHNTZOA-UHFFFAOYSA-N -1 3 393.500 3.918 20 0 GHADHM Cc1[nH]ccc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000427950520 856920185 /nfs/dbraw/zinc/92/01/85/856920185.db2.gz DZRWIDYLJIMBAB-UHFFFAOYSA-N -1 3 379.645 3.803 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000436993190 856926471 /nfs/dbraw/zinc/92/64/71/856926471.db2.gz ZNABVHVQIOZCCP-QGZVFWFLSA-N -1 3 391.427 3.878 20 0 GHADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC000015349441 856943469 /nfs/dbraw/zinc/94/34/69/856943469.db2.gz VHQZWLWQQQQQDK-UHFFFAOYSA-N -1 3 384.432 3.903 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508124464 856957777 /nfs/dbraw/zinc/95/77/77/856957777.db2.gz HJFVJPHJEQMONE-KRWDZBQOSA-N -1 3 396.390 3.952 20 0 GHADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056301263 857034595 /nfs/dbraw/zinc/03/45/95/857034595.db2.gz MPYRNAINLKOVDX-LBPRGKRZSA-N -1 3 390.361 3.744 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)s1 ZINC000675152282 857040224 /nfs/dbraw/zinc/04/02/24/857040224.db2.gz XSRXIKCDKZLLET-GFCCVEGCSA-N -1 3 396.372 3.693 20 0 GHADHM Cc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1F ZINC000485865656 857151889 /nfs/dbraw/zinc/15/18/89/857151889.db2.gz BHOJSANPFIWLGT-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000675334872 857151984 /nfs/dbraw/zinc/15/19/84/857151984.db2.gz GVRLXYGJTHEULT-NWDGAFQWSA-N -1 3 386.926 3.557 20 0 GHADHM CC[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])sc2C1 ZINC000057180152 857160474 /nfs/dbraw/zinc/16/04/74/857160474.db2.gz MPQMOJBRTBDYNM-BBRMVZONSA-N -1 3 399.516 3.607 20 0 GHADHM Cc1nc(C)c(CCNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000906622797 857189896 /nfs/dbraw/zinc/18/98/96/857189896.db2.gz QOEAIHOQLJTGDA-UHFFFAOYSA-N -1 3 382.511 3.536 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cc3n(n2)CCCC3=O)s1)c1ccccc1 ZINC000906606717 857196253 /nfs/dbraw/zinc/19/62/53/857196253.db2.gz QAJKJNZFGQCOFX-CYBMUJFWSA-N -1 3 381.461 3.505 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCOc3ccccc3C)[n-]c(=O)c12 ZINC000057812724 857237699 /nfs/dbraw/zinc/23/76/99/857237699.db2.gz XIICZVFUZINYKX-UHFFFAOYSA-N -1 3 399.472 3.695 20 0 GHADHM O=C(OCc1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332123 857303262 /nfs/dbraw/zinc/30/32/62/857303262.db2.gz RTDKRRBSICPWJA-INIZCTEOSA-N -1 3 393.361 3.759 20 0 GHADHM Cc1cc([C@@H](NCc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])ccc1Cl ZINC000656572751 857375142 /nfs/dbraw/zinc/37/51/42/857375142.db2.gz LNCRJOOQZMNNOG-PKOBYXMFSA-N -1 3 375.852 3.732 20 0 GHADHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3F)cc2)CC1 ZINC000593216740 857382639 /nfs/dbraw/zinc/38/26/39/857382639.db2.gz DRYRAXRBAGZSGH-UHFFFAOYSA-N -1 3 399.390 3.769 20 0 GHADHM CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@H](CCO)c1ccccc1 ZINC000907060805 857454614 /nfs/dbraw/zinc/45/46/14/857454614.db2.gz PPATZWZPLYQVEC-CQSZACIVSA-N -1 3 391.493 3.686 20 0 GHADHM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000130709074 857535117 /nfs/dbraw/zinc/53/51/17/857535117.db2.gz MLTMLXXJLNAJCF-XMSQKQJNSA-N -1 3 383.513 3.768 20 0 GHADHM CCCCCC[C@]1(C)NC(=O)N(c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1=O ZINC000761030935 857658778 /nfs/dbraw/zinc/65/87/78/857658778.db2.gz QALHMIDYXBMERF-NRFANRHFSA-N -1 3 382.464 3.943 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)c2)cc1 ZINC000521228834 857748369 /nfs/dbraw/zinc/74/83/69/857748369.db2.gz YMTVRCKZLZHGNY-ALXJQNPVSA-N -1 3 384.501 3.633 20 0 GHADHM Cc1nc(COc2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2)no1 ZINC000521252097 857803243 /nfs/dbraw/zinc/80/32/43/857803243.db2.gz BBHYIUVDTCBVRY-UHFFFAOYSA-N -1 3 395.415 3.628 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281312910 862955200 /nfs/dbraw/zinc/95/52/00/862955200.db2.gz IFEMHDCEYUSURV-ZJUUUORDSA-N -1 3 391.827 3.665 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000486562120 857862207 /nfs/dbraw/zinc/86/22/07/857862207.db2.gz PIEXAZIKHGZUFA-UHFFFAOYSA-N -1 3 386.256 3.932 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000908066199 857917296 /nfs/dbraw/zinc/91/72/96/857917296.db2.gz MPOZDYJEBOXGCJ-JTQLQIEISA-N -1 3 398.834 3.541 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000486647298 857942756 /nfs/dbraw/zinc/94/27/56/857942756.db2.gz VJCQHRQSEVBVLR-BDAKNGLRSA-N -1 3 377.297 3.665 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000486696137 858003254 /nfs/dbraw/zinc/00/32/54/858003254.db2.gz CAGCLUYPQGANQT-INIZCTEOSA-N -1 3 392.546 3.970 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Oc1cccc(C)c1 ZINC000442764853 858101614 /nfs/dbraw/zinc/10/16/14/858101614.db2.gz GZHAINSSKDGSSC-ZDUSSCGKSA-N -1 3 388.411 3.545 20 0 GHADHM O=C(NCCCc1cccc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000066443442 858130288 /nfs/dbraw/zinc/13/02/88/858130288.db2.gz LPKAHMXLGFIQJH-UHFFFAOYSA-N -1 3 385.261 3.653 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1[O-] ZINC000594421694 858184200 /nfs/dbraw/zinc/18/42/00/858184200.db2.gz GAYNIALIXVAMRG-AFAVFJNCSA-N -1 3 389.492 3.717 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3coc(C4CCCCC4)n3)n[nH]2)cc1OC ZINC000681634740 858229718 /nfs/dbraw/zinc/22/97/18/858229718.db2.gz JXNWDHZZZOGQLB-UHFFFAOYSA-N -1 3 397.435 3.777 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(C)C)c1cccs1 ZINC000443031369 858319945 /nfs/dbraw/zinc/31/99/45/858319945.db2.gz WORPKDXJGTYBNM-CQSZACIVSA-N -1 3 385.482 3.740 20 0 GHADHM Cc1cc(NC(=O)CCSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000010428217 858321414 /nfs/dbraw/zinc/32/14/14/858321414.db2.gz BZIXEJDPNKKOAP-UHFFFAOYSA-N -1 3 379.442 3.838 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000443088412 858346689 /nfs/dbraw/zinc/34/66/89/858346689.db2.gz ARKRGKMCUUWAJT-UHFFFAOYSA-N -1 3 389.498 3.599 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000443093658 858373406 /nfs/dbraw/zinc/37/34/06/858373406.db2.gz NHFWMIMLZHVBLU-KRWDZBQOSA-N -1 3 379.865 3.556 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000521914673 858442505 /nfs/dbraw/zinc/44/25/05/858442505.db2.gz KQBVTFBKSRQNST-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000521914673 858442509 /nfs/dbraw/zinc/44/25/09/858442509.db2.gz KQBVTFBKSRQNST-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM CCOC(=O)c1c(C)c2ccccc2nc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000595518515 858550563 /nfs/dbraw/zinc/55/05/63/858550563.db2.gz HVLDMKKBBKSVRO-UHFFFAOYSA-N -1 3 394.475 3.549 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](C)N(C)Cc2ccccc2)s1 ZINC000522090593 858601502 /nfs/dbraw/zinc/60/15/02/858601502.db2.gz OHBIHHDMBDFFRM-AWEZNQCLSA-N -1 3 375.542 3.506 20 0 GHADHM CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000575163407 858613387 /nfs/dbraw/zinc/61/33/87/858613387.db2.gz AFSGICVKNQFJKN-UHFFFAOYSA-N -1 3 379.416 3.822 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)[n-]n1 ZINC000183288873 858712224 /nfs/dbraw/zinc/71/22/24/858712224.db2.gz SDDGWWRUTJKPFR-UHFFFAOYSA-N -1 3 390.852 3.924 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n[n-]1 ZINC000183288873 858712228 /nfs/dbraw/zinc/71/22/28/858712228.db2.gz SDDGWWRUTJKPFR-UHFFFAOYSA-N -1 3 390.852 3.924 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1OC ZINC000067899562 858771389 /nfs/dbraw/zinc/77/13/89/858771389.db2.gz YKRDPDMYSFRLSU-UHFFFAOYSA-N -1 3 381.519 3.719 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cccc(OCc3ccccc3F)c2)n[n-]1 ZINC000895233531 858823030 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CC(C)=CCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001273168594 859169781 /nfs/dbraw/zinc/16/97/81/859169781.db2.gz IBMKOOZKDDVSHQ-CQSZACIVSA-N -1 3 384.517 3.767 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c(=O)[n-]1 ZINC000543292686 859173313 /nfs/dbraw/zinc/17/33/13/859173313.db2.gz KCPTZOZMYJVEAO-UHFFFAOYSA-N -1 3 382.395 3.530 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C)cc1C(N)=O ZINC000596932950 859197268 /nfs/dbraw/zinc/19/72/68/859197268.db2.gz WDPZXDGLHWXEII-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000125764504 859245952 /nfs/dbraw/zinc/24/59/52/859245952.db2.gz ZWLVLXQMMSUFOW-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000125764504 859245962 /nfs/dbraw/zinc/24/59/62/859245962.db2.gz ZWLVLXQMMSUFOW-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1cccc2c1OCCO2 ZINC000543663886 859288895 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O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000606691619 863782061 /nfs/dbraw/zinc/78/20/61/863782061.db2.gz RIMBRAXXMYUZJK-CQSZACIVSA-N -1 3 397.372 3.628 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3cc(C)c(Br)cc3C)ccc2n1 ZINC000606752909 863820836 /nfs/dbraw/zinc/82/08/36/863820836.db2.gz QIBFSCIAXJTXTG-UHFFFAOYSA-N -1 3 394.294 3.823 20 0 GHADHM Cc1nn(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1-c1ccccc1 ZINC000444301091 863840182 /nfs/dbraw/zinc/84/01/82/863840182.db2.gz CKYYRPMECJVZLS-UHFFFAOYSA-N -1 3 393.397 3.587 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000606828501 863861217 /nfs/dbraw/zinc/86/12/17/863861217.db2.gz WJWQLICLDYBXAF-SFHVURJKSA-N -1 3 375.490 3.953 20 0 GHADHM O=C(CCC1CCCCC1)[N-]OCC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000733998038 863933302 /nfs/dbraw/zinc/93/33/02/863933302.db2.gz LHNOVGSFMSPJJN-UHFFFAOYSA-N -1 3 390.402 3.579 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120689211 881726831 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O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120782740 881753041 /nfs/dbraw/zinc/75/30/41/881753041.db2.gz CTMKTAZLSAXZCM-UHFFFAOYSA-N -1 3 399.454 3.535 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2ccc(N(C)c3ccccc3)nc2)[nH][n-]1 ZINC000621654639 864350614 /nfs/dbraw/zinc/35/06/14/864350614.db2.gz OSNHPHHTOVAWIE-UHFFFAOYSA-N -1 3 399.454 3.922 20 0 GHADHM Cc1oc2ccccc2c1C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000184441628 864483746 /nfs/dbraw/zinc/48/37/46/864483746.db2.gz WOZNKFQXGUXRAQ-UHFFFAOYSA-N -1 3 391.196 3.718 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000190484250 864542114 /nfs/dbraw/zinc/54/21/14/864542114.db2.gz AKRMHZKRBOZJML-UHFFFAOYSA-N -1 3 386.926 3.762 20 0 GHADHM CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1csc(-c2cccs2)n1 ZINC000554593533 864588842 /nfs/dbraw/zinc/58/88/42/864588842.db2.gz DAIUYDKCGIDDRJ-LBPRGKRZSA-N -1 3 388.518 3.784 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCCCC2)no1 ZINC000058754690 864593445 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COc1cc(CCC(=O)[N-]OCc2cccc(C)n2)ccc1OCC(F)(F)F ZINC000898936338 864927173 /nfs/dbraw/zinc/92/71/73/864927173.db2.gz WLEHCIQGYVDJBW-UHFFFAOYSA-N -1 3 398.381 3.520 20 0 GHADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000480592149 864928202 /nfs/dbraw/zinc/92/82/02/864928202.db2.gz LYZPWCNNFONTGF-MRXNPFEDSA-N -1 3 383.460 3.589 20 0 GHADHM CCCCOc1ccc(C(=O)[N-]n2c(C)nc3sccc3c2=O)c(Cl)c1 ZINC000184838108 864976340 /nfs/dbraw/zinc/97/63/40/864976340.db2.gz YKHAUZUERAMHIL-UHFFFAOYSA-N -1 3 391.880 3.983 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1ccc(F)c(F)c1 ZINC000156379043 865007667 /nfs/dbraw/zinc/00/76/67/865007667.db2.gz UUCCAZBQGYVBAU-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000063602248 865049223 /nfs/dbraw/zinc/04/92/23/865049223.db2.gz IANHPROJUVDJMT-UHFFFAOYSA-N -1 3 384.860 3.762 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccnc(N4CCCCC4)c3)nc2)n1 ZINC000301151754 865191871 /nfs/dbraw/zinc/19/18/71/865191871.db2.gz 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ZINC000480825830 865360251 /nfs/dbraw/zinc/36/02/51/865360251.db2.gz GRCLOVNAJDEIQK-GFCCVEGCSA-N -1 3 388.320 3.607 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000737239351 865381059 /nfs/dbraw/zinc/38/10/59/865381059.db2.gz CPRNOBXDAHJXCM-ZDUSSCGKSA-N -1 3 393.476 3.706 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000737239351 865381074 /nfs/dbraw/zinc/38/10/74/865381074.db2.gz CPRNOBXDAHJXCM-ZDUSSCGKSA-N -1 3 393.476 3.706 20 0 GHADHM Cc1cccc([C@@H](C)OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000737339326 865481056 /nfs/dbraw/zinc/48/10/56/865481056.db2.gz LSRACWZWGYQBTB-MRXNPFEDSA-N -1 3 391.489 3.828 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc4cc(C)ccc4s3)CC2)n[n-]1 ZINC000555088751 865485380 /nfs/dbraw/zinc/48/53/80/865485380.db2.gz GANIYNAFCXOFFU-UHFFFAOYSA-N -1 3 398.488 3.524 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc4cc(C)ccc4s3)CC2)[n-]1 ZINC000555088751 865485387 /nfs/dbraw/zinc/48/53/87/865485387.db2.gz GANIYNAFCXOFFU-UHFFFAOYSA-N -1 3 398.488 3.524 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cnc(Cl)c(Cl)c1 ZINC000738379346 865534248 /nfs/dbraw/zinc/53/42/48/865534248.db2.gz AILGIDAGPJNUPI-UHFFFAOYSA-N -1 3 387.288 3.798 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccc(F)c(C)c4)C3)nc2)n1 ZINC000301864295 865574720 /nfs/dbraw/zinc/57/47/20/865574720.db2.gz DBYJWLWWFUKBJK-IBGZPJMESA-N -1 3 394.450 3.832 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000172415149 865575978 /nfs/dbraw/zinc/57/59/78/865575978.db2.gz OFTNNZMQQILFBH-UHFFFAOYSA-N -1 3 397.303 3.805 20 0 GHADHM C[C@@H](CCc1ccc(Br)cc1)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000920176898 881885790 /nfs/dbraw/zinc/88/57/90/881885790.db2.gz BGIMMPPBVUUMIQ-HTMJNSLASA-N -1 3 399.288 3.671 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1OC(F)F)c1cc(F)ccc1Cl ZINC000480985915 865613561 /nfs/dbraw/zinc/61/35/61/865613561.db2.gz UBNJKONZSWWMHD-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Oc2ccc(F)cc2F)CC1 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GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c(=O)[n-]1 ZINC000552950739 866521137 /nfs/dbraw/zinc/52/11/37/866521137.db2.gz DUULJPRGLMQGFH-QGZVFWFLSA-N -1 3 395.381 3.508 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)c(C)o1 ZINC000456428290 866598220 /nfs/dbraw/zinc/59/82/20/866598220.db2.gz RKCMJJCIJFXKMT-INIZCTEOSA-N -1 3 396.896 3.517 20 0 GHADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000478777388 866619690 /nfs/dbraw/zinc/61/96/90/866619690.db2.gz ZDIWSNGHZXSTQG-UONOGXRCSA-N -1 3 383.407 3.717 20 0 GHADHM Cc1nc(-c2ccc(C)c(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2)n[nH]1 ZINC000553044087 866692664 /nfs/dbraw/zinc/69/26/64/866692664.db2.gz VEFGCQOVGHCKIM-UHFFFAOYSA-N -1 3 391.406 3.630 20 0 GHADHM CCOC(=O)N(C)c1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC000741744094 866749590 /nfs/dbraw/zinc/74/95/90/866749590.db2.gz BCEUKOOTGMIPSU-UHFFFAOYSA-N -1 3 379.416 3.682 20 0 GHADHM O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cccc2n[n-]nc21 ZINC000183507715 866780517 /nfs/dbraw/zinc/78/05/17/866780517.db2.gz DVULDEBTRDNZDV-UHFFFAOYSA-N -1 3 392.806 3.511 20 0 GHADHM O=C(O[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc2ccsc2[n-]1 ZINC000763623621 866904903 /nfs/dbraw/zinc/90/49/03/866904903.db2.gz KPCLRVAQEDHWEX-AWEZNQCLSA-N -1 3 378.812 3.984 20 0 GHADHM O=C(CC[C@H]1CCCO1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000523239996 866907700 /nfs/dbraw/zinc/90/77/00/866907700.db2.gz OYAMVHRKEFJNGY-LLVKDONJSA-N -1 3 398.688 3.812 20 0 GHADHM O=C(CC[C@@H]1CCCO1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000523239997 866908303 /nfs/dbraw/zinc/90/83/03/866908303.db2.gz OYAMVHRKEFJNGY-NSHDSACASA-N -1 3 398.688 3.812 20 0 GHADHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1[O-] ZINC000153659659 867009377 /nfs/dbraw/zinc/00/93/77/867009377.db2.gz NOVOGXNIZQPDSD-UHFFFAOYSA-N -1 3 397.656 3.567 20 0 GHADHM COc1ccc(-c2csc3[n-]c(-c4cnc(N(C)C)cn4)nc(=O)c23)cc1 ZINC000487503978 867028722 /nfs/dbraw/zinc/02/87/22/867028722.db2.gz RCNSAFMTIXHDRG-UHFFFAOYSA-N -1 3 379.445 3.596 20 0 GHADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296243 882041759 /nfs/dbraw/zinc/04/17/59/882041759.db2.gz LFPUFBHFRPMGJX-JGVFFNPUSA-N -1 3 392.731 3.715 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456727724 867070122 /nfs/dbraw/zinc/07/01/22/867070122.db2.gz ZVQKMFXUSDHSNS-PXAZEXFGSA-N -1 3 381.350 3.570 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000063442360 867146048 /nfs/dbraw/zinc/14/60/48/867146048.db2.gz AEFCWZFGHUBVFO-UHFFFAOYSA-N -1 3 385.869 3.565 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1F ZINC000479125360 867184151 /nfs/dbraw/zinc/18/41/51/867184151.db2.gz AFLLHPYGCSDMTM-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000742297385 867203041 /nfs/dbraw/zinc/20/30/41/867203041.db2.gz ZWSPCUUFDJGCBF-SFHVURJKSA-N -1 3 385.407 3.550 20 0 GHADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000154222836 867307174 /nfs/dbraw/zinc/30/71/74/867307174.db2.gz MIDQRJDQQWUODH-SECBINFHSA-N -1 3 386.420 3.623 20 0 GHADHM CCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000523458804 867336844 /nfs/dbraw/zinc/33/68/44/867336844.db2.gz PPTGYGOYVUEPFY-UHFFFAOYSA-N -1 3 378.469 3.807 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534729700 867347887 /nfs/dbraw/zinc/34/78/87/867347887.db2.gz ULXXWEWFGRQKRH-QGZVFWFLSA-N -1 3 375.856 3.508 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1 ZINC000154563303 867467959 /nfs/dbraw/zinc/46/79/59/867467959.db2.gz GMIZPENEKRTAKF-UHFFFAOYSA-N -1 3 375.490 3.916 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc4ccsc43)CC2)n[n-]1 ZINC000444915250 867488341 /nfs/dbraw/zinc/48/83/41/867488341.db2.gz WPKTVGGDBKQYQX-UHFFFAOYSA-N -1 3 399.476 3.608 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc4ccsc43)CC2)[n-]1 ZINC000444915250 867488349 /nfs/dbraw/zinc/48/83/49/867488349.db2.gz WPKTVGGDBKQYQX-UHFFFAOYSA-N -1 3 399.476 3.608 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000553530009 867588265 /nfs/dbraw/zinc/58/82/65/867588265.db2.gz KJINIQSAOOPONI-HNNXBMFYSA-N -1 3 386.498 3.655 20 0 GHADHM O=c1[n-]c(CN2CCC(Nc3ccccn3)CC2)nc2c3ccccc3oc21 ZINC000534864129 867667608 /nfs/dbraw/zinc/66/76/08/867667608.db2.gz WKGDEDDRIWYZCS-UHFFFAOYSA-N -1 3 375.432 3.553 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1 ZINC000553575915 867706308 /nfs/dbraw/zinc/70/63/08/867706308.db2.gz QPRDEODYTNHJDO-UHFFFAOYSA-N -1 3 387.795 3.601 20 0 GHADHM CCOC(=O)C(=Cc1cn(C)nc1Cl)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000857202162 882114768 /nfs/dbraw/zinc/11/47/68/882114768.db2.gz LFDBZXFHALZPRU-IZZDOVSWSA-N -1 3 392.868 3.504 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H](C1CC1)C1CCC1 ZINC000457250726 867925260 /nfs/dbraw/zinc/92/52/60/867925260.db2.gz PZRQRPPWEWQRCJ-GMAHTHKFSA-N -1 3 392.499 3.948 20 0 GHADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000457262951 867938841 /nfs/dbraw/zinc/93/88/41/867938841.db2.gz DJHSDVUUTORRKF-PKOBYXMFSA-N -1 3 393.484 3.509 20 0 GHADHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155564234 867950676 /nfs/dbraw/zinc/95/06/76/867950676.db2.gz PHLTWSXGPVCSTG-UHFFFAOYSA-N -1 3 398.448 3.775 20 0 GHADHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155564234 867950687 /nfs/dbraw/zinc/95/06/87/867950687.db2.gz PHLTWSXGPVCSTG-UHFFFAOYSA-N -1 3 398.448 3.775 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000857245927 882139491 /nfs/dbraw/zinc/13/94/91/882139491.db2.gz VBCYKKIKGDKWMO-IBGZPJMESA-N -1 3 379.378 3.577 20 0 GHADHM O=c1cc(CSCCS(=O)(=O)C2CCCCC2)nc(-c2ccccc2)[n-]1 ZINC000857248457 882142489 /nfs/dbraw/zinc/14/24/89/882142489.db2.gz VAGBXNOWFYGXHL-UHFFFAOYSA-N -1 3 392.546 3.830 20 0 GHADHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857258564 882149710 /nfs/dbraw/zinc/14/97/10/882149710.db2.gz ADWNLLYLPYXLIC-HZMBPMFUSA-N -1 3 388.386 3.539 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553784838 868219461 /nfs/dbraw/zinc/21/94/61/868219461.db2.gz QAXJYWNFCYULSQ-GFCCVEGCSA-N -1 3 388.411 3.994 20 0 GHADHM CS(=O)(=O)c1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1Cl ZINC000487305759 868240847 /nfs/dbraw/zinc/24/08/47/868240847.db2.gz CJGNKKXLRXDOQW-UHFFFAOYSA-N -1 3 375.833 3.855 20 0 GHADHM Cc1[nH]nc(NC(=O)c2nnc3ccccc3c2[O-])c1-c1cccc(Cl)c1 ZINC000743702185 868371543 /nfs/dbraw/zinc/37/15/43/868371543.db2.gz HLPKAXQQGMVQOS-UHFFFAOYSA-N -1 3 379.807 3.940 20 0 GHADHM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2scnc2Br)c1 ZINC000857300017 882185812 /nfs/dbraw/zinc/18/58/12/882185812.db2.gz GOBGMYFWAOAYBQ-UHFFFAOYSA-N -1 3 384.255 3.508 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)c1[O-] ZINC000445418400 868422406 /nfs/dbraw/zinc/42/24/06/868422406.db2.gz PAZRFLXSYFSTJN-UHFFFAOYSA-N -1 3 393.321 3.651 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1(c2ccccc2)CCCC1 ZINC000479813049 868552506 /nfs/dbraw/zinc/55/25/06/868552506.db2.gz DTOLASYHFMKACQ-CQSZACIVSA-N -1 3 377.444 3.592 20 0 GHADHM CCC(CC)n1nc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1C ZINC000648431700 882207019 /nfs/dbraw/zinc/20/70/19/882207019.db2.gz ATPDNYPRUVUFAL-UHFFFAOYSA-N -1 3 377.798 3.639 20 0 GHADHM COc1ccc(-c2nc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)cs2)cc1 ZINC000157281050 868610592 /nfs/dbraw/zinc/61/05/92/868610592.db2.gz JWKWBCIQDJWDGR-UHFFFAOYSA-N -1 3 385.836 3.767 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cncc(Br)c3)c2)n1 ZINC000744216082 868671220 /nfs/dbraw/zinc/67/12/20/868671220.db2.gz DOJWVFWXADFRHK-UHFFFAOYSA-N -1 3 386.205 3.534 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)o2)no1 ZINC000445589978 868676711 /nfs/dbraw/zinc/67/67/11/868676711.db2.gz ZWSXLESBRTXVNI-MRVPVSSYSA-N -1 3 388.232 3.676 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000648432603 882218806 /nfs/dbraw/zinc/21/88/06/882218806.db2.gz AXOOWIMFHUKNNN-UHFFFAOYSA-N -1 3 389.733 3.744 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000648432840 882220154 /nfs/dbraw/zinc/22/01/54/882220154.db2.gz JOLORRIINYEZPQ-UHFFFAOYSA-N -1 3 380.823 3.736 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433047 882221918 /nfs/dbraw/zinc/22/19/18/882221918.db2.gz QMHMLQCYRXOACG-JTQLQIEISA-N -1 3 377.769 3.867 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3Cc4ccccc4C3)nc(=O)c2c1C ZINC000155457112 868763448 /nfs/dbraw/zinc/76/34/48/868763448.db2.gz RYVFQWVOVMRXDN-LBPRGKRZSA-N -1 3 383.473 3.547 20 0 GHADHM COCc1c2ccccc2oc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433527 882233806 /nfs/dbraw/zinc/23/38/06/882233806.db2.gz CGDKZRFGEHSBSL-UHFFFAOYSA-N -1 3 387.745 3.666 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2)c1 ZINC000524303046 868872854 /nfs/dbraw/zinc/87/28/54/868872854.db2.gz ZAMCWZSMXAQNTE-UHFFFAOYSA-N -1 3 376.412 3.861 20 0 GHADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)NCc1cccc(F)c1 ZINC000445733019 868934763 /nfs/dbraw/zinc/93/47/63/868934763.db2.gz MXCNYHULSTXZKD-UHFFFAOYSA-N -1 3 377.375 3.593 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)cc4cccnc43)nc21 ZINC000158402941 868939331 /nfs/dbraw/zinc/93/93/31/868939331.db2.gz JTKQMKBFJKAOHL-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1F ZINC000190770464 882266066 /nfs/dbraw/zinc/26/60/66/882266066.db2.gz ICZXVQVKFYQCBR-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000462326811 869233779 /nfs/dbraw/zinc/23/37/79/869233779.db2.gz UTTQJGBEQPBXJD-UHFFFAOYSA-N -1 3 376.309 3.565 20 0 GHADHM CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857505044 882303558 /nfs/dbraw/zinc/30/35/58/882303558.db2.gz VLSZUEWSYHIDPN-IBGZPJMESA-N -1 3 396.487 3.676 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)s1 ZINC000462541779 869634561 /nfs/dbraw/zinc/63/45/61/869634561.db2.gz HPIVGRPKDLZWAU-ZWNOBZJWSA-N -1 3 396.372 3.693 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2coc(-c3ccc(C)cc3)n2)cc1[O-] ZINC000745650642 869719820 /nfs/dbraw/zinc/71/98/20/869719820.db2.gz JPHZBFHFXWBSJW-UHFFFAOYSA-N -1 3 382.372 3.891 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1[O-] ZINC000745651132 869720046 /nfs/dbraw/zinc/72/00/46/869720046.db2.gz SWBWIDLEQLVOSZ-JTQLQIEISA-N -1 3 377.780 3.652 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c1 ZINC000121949577 882347635 /nfs/dbraw/zinc/34/76/35/882347635.db2.gz GDNBLGZBOXCTTH-UHFFFAOYSA-N -1 3 389.455 3.897 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccc(F)cc1 ZINC000462706916 869934575 /nfs/dbraw/zinc/93/45/75/869934575.db2.gz DIEFJGVLFTYHMK-SNVBAGLBSA-N -1 3 395.349 3.729 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccccc1Cl ZINC000462706676 869935856 /nfs/dbraw/zinc/93/58/56/869935856.db2.gz TZIMKAOCTIUAGL-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000462725318 869951561 /nfs/dbraw/zinc/95/15/61/869951561.db2.gz GBIJTBLOZBJIBE-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM O=c1[n-]nc(SCc2ccn(-c3ccc(F)cc3)n2)n1CCc1ccccc1 ZINC000525110692 870037630 /nfs/dbraw/zinc/03/76/30/870037630.db2.gz FPVOJAHXNKELLP-UHFFFAOYSA-N -1 3 395.463 3.844 20 0 GHADHM CC(=O)Nc1c(C)cccc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000011812386 882379689 /nfs/dbraw/zinc/37/96/89/882379689.db2.gz HYBFXIMIMYZMTO-LLVKDONJSA-N -1 3 399.472 3.786 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)(F)F)c2)o1 ZINC001192279901 870262114 /nfs/dbraw/zinc/26/21/14/870262114.db2.gz CQUCABZBLAARBV-OAHLLOKOSA-N -1 3 397.378 3.627 20 0 GHADHM CC(C)Oc1ncnc2c1CCN(C(=O)c1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001192325790 870290151 /nfs/dbraw/zinc/29/01/51/870290151.db2.gz IQJHPYUVRLHSAE-UHFFFAOYSA-N -1 3 383.492 3.508 20 0 GHADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000190377913 870328468 /nfs/dbraw/zinc/32/84/68/870328468.db2.gz NWZDNEGEYCOXAX-UHFFFAOYSA-N -1 3 382.420 3.669 20 0 GHADHM COC(=O)c1cccc2nc([N-]C(=O)c3nc(C(F)(F)F)cs3)sc21 ZINC001192446541 870408062 /nfs/dbraw/zinc/40/80/62/870408062.db2.gz GMIBQBGGAAQWFZ-UHFFFAOYSA-N -1 3 387.364 3.811 20 0 GHADHM CSCC[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nnc2ccccn21 ZINC000920843128 882408108 /nfs/dbraw/zinc/40/81/08/882408108.db2.gz XKVIPUQNYTZZJF-AWEZNQCLSA-N -1 3 394.422 3.571 20 0 GHADHM O=C(c1c(F)ccc([O-])c1F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001192536408 870497005 /nfs/dbraw/zinc/49/70/05/870497005.db2.gz UVXMELOUNYPIGO-UHFFFAOYSA-N -1 3 395.365 3.818 20 0 GHADHM CC(C)(NCC(=O)[N-]OCc1ccccc1)c1ccccc1Br ZINC000775538452 870534922 /nfs/dbraw/zinc/53/49/22/870534922.db2.gz GBCLRPDZRXBFLL-UHFFFAOYSA-N -1 3 377.282 3.522 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Br)cc2Cl)[n-]c1=O ZINC000193266623 870581991 /nfs/dbraw/zinc/58/19/91/870581991.db2.gz LLTCNXBDFCWELU-RMKNXTFCSA-N -1 3 397.656 3.923 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)c3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000461616916 870595269 /nfs/dbraw/zinc/59/52/69/870595269.db2.gz DMPNBZZZMHQBQW-UHFFFAOYSA-N -1 3 395.503 3.796 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461625796 870651995 /nfs/dbraw/zinc/65/19/95/870651995.db2.gz JNGANMCPLHAMSI-KBPBESRZSA-N -1 3 379.460 3.511 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1COc2ccccc21 ZINC000738176249 870781035 /nfs/dbraw/zinc/78/10/35/870781035.db2.gz WIYYBWFPGZSVJD-SFHVURJKSA-N -1 3 399.410 3.774 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1COc2ccccc21 ZINC000738176249 870781045 /nfs/dbraw/zinc/78/10/45/870781045.db2.gz WIYYBWFPGZSVJD-SFHVURJKSA-N -1 3 399.410 3.774 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(C(F)(F)F)cc21)c1cnccc1Cl ZINC001192925756 870790912 /nfs/dbraw/zinc/79/09/12/870790912.db2.gz ZFLRDDUZJSOZIX-CYBMUJFWSA-N -1 3 376.787 3.720 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1 ZINC000122217848 882446462 /nfs/dbraw/zinc/44/64/62/882446462.db2.gz WTPOXBRLFMPUOE-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775567329 870860737 /nfs/dbraw/zinc/86/07/37/870860737.db2.gz DCPUVFJKSRUCLV-CRAIPNDOSA-N -1 3 375.469 3.589 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775567329 870860743 /nfs/dbraw/zinc/86/07/43/870860743.db2.gz DCPUVFJKSRUCLV-CRAIPNDOSA-N -1 3 375.469 3.589 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ncccc2c1 ZINC000525525861 870865195 /nfs/dbraw/zinc/86/51/95/870865195.db2.gz GTGUUQZOQNHRSU-SFHVURJKSA-N -1 3 384.457 3.593 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)[n-]1 ZINC000617872492 870984421 /nfs/dbraw/zinc/98/44/21/870984421.db2.gz VFNYMMAKKCGDRN-UHFFFAOYSA-N -1 3 382.854 3.677 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c[n-]1 ZINC000617872492 870984434 /nfs/dbraw/zinc/98/44/34/870984434.db2.gz VFNYMMAKKCGDRN-UHFFFAOYSA-N -1 3 382.854 3.677 20 0 GHADHM CCc1cc2c(CN[C@H](COC)c3ccc(F)c(F)c3)cc(=O)oc2cc1[O-] ZINC000181427888 871002698 /nfs/dbraw/zinc/00/26/98/871002698.db2.gz YGAYBSCRAOPBHK-GOSISDBHSA-N -1 3 389.398 3.817 20 0 GHADHM COc1cc2c(cc1NC(=O)c1cccc(OCCO)c1[O-])oc1ccccc12 ZINC001193344194 871033548 /nfs/dbraw/zinc/03/35/48/871033548.db2.gz GJZXIKSFPJYYGF-UHFFFAOYSA-N -1 3 393.395 3.924 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2F)c1 ZINC001193428450 871103314 /nfs/dbraw/zinc/10/33/14/871103314.db2.gz WNFVRPVVNUSNQP-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COc1ccnc(C(=O)N2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC001193527498 871161179 /nfs/dbraw/zinc/16/11/79/871161179.db2.gz CPKVFZWHWJAASK-CYBMUJFWSA-N -1 3 382.338 3.672 20 0 GHADHM CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193734801 871251598 /nfs/dbraw/zinc/25/15/98/871251598.db2.gz YTKGGGSDLWQLJW-NSHDSACASA-N -1 3 375.343 3.577 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001193745199 871268569 /nfs/dbraw/zinc/26/85/69/871268569.db2.gz FSDNJXYWRGBASR-LBPRGKRZSA-N -1 3 379.260 3.908 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000447265143 871283892 /nfs/dbraw/zinc/28/38/92/871283892.db2.gz QFNWITKUHWRQAL-UHFFFAOYSA-N -1 3 386.517 3.984 20 0 GHADHM COC(=O)c1ccc(-c2nc(CO[N-]C(=O)CCCc3ccccc3)co2)cc1 ZINC000181624550 871296374 /nfs/dbraw/zinc/29/63/74/871296374.db2.gz ZJFPSWPKNYJNDX-UHFFFAOYSA-N -1 3 394.427 3.699 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001193932096 871375610 /nfs/dbraw/zinc/37/56/10/871375610.db2.gz WKFLTVBBSBGSKI-UHFFFAOYSA-N -1 3 379.815 3.882 20 0 GHADHM O=C([N-][C@@H]1CCCCC12OCCO2)C(F)(F)c1cc(Cl)ccc1Cl ZINC001127650075 871416708 /nfs/dbraw/zinc/41/67/08/871416708.db2.gz RQAVHWSBMJDQEV-CYBMUJFWSA-N -1 3 380.218 3.887 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1 ZINC000540497936 871426301 /nfs/dbraw/zinc/42/63/01/871426301.db2.gz IXCAEGBBWOWCGU-UHFFFAOYSA-N -1 3 381.519 3.933 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2)CC1 ZINC000011948884 882511919 /nfs/dbraw/zinc/51/19/19/882511919.db2.gz YNWZEAZWFFWHPZ-UHFFFAOYSA-N -1 3 375.472 3.940 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCOC1 ZINC001194060236 871469614 /nfs/dbraw/zinc/46/96/14/871469614.db2.gz KUCBVXCFCMASLQ-GXFFZTMASA-N -1 3 396.734 3.586 20 0 GHADHM Cc1cc(Cl)c(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1C ZINC000181811037 871500831 /nfs/dbraw/zinc/50/08/31/871500831.db2.gz KCNNCWJPNZNPAT-UHFFFAOYSA-N -1 3 399.647 3.933 20 0 GHADHM O=C([N-]Cc1nc(Cc2ccccc2)no1)C(F)(F)c1cccc(Cl)c1 ZINC000921037312 882520506 /nfs/dbraw/zinc/52/05/06/882520506.db2.gz USJJFHOYWJSNBO-UHFFFAOYSA-N -1 3 377.778 3.722 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001169581736 871676799 /nfs/dbraw/zinc/67/67/99/871676799.db2.gz XHDUIFFJFSIYFD-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001169581736 871676810 /nfs/dbraw/zinc/67/68/10/871676810.db2.gz XHDUIFFJFSIYFD-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM Cc1c2cc(C(=O)Nc3ccccc3-c3nnn[n-]3)[nH]c2ccc1Br ZINC001169581676 871677186 /nfs/dbraw/zinc/67/71/86/871677186.db2.gz WJOYUQBMFLNMOL-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1c2cc(C(=O)Nc3ccccc3-c3nn[n-]n3)[nH]c2ccc1Br ZINC001169581676 871677192 /nfs/dbraw/zinc/67/71/92/871677192.db2.gz WJOYUQBMFLNMOL-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCc2cccc(F)c2)s1 ZINC000462148542 871682853 /nfs/dbraw/zinc/68/28/53/871682853.db2.gz DBPSXZOOJYXLLB-UHFFFAOYSA-N -1 3 392.315 3.869 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)s1 ZINC000462130554 871689338 /nfs/dbraw/zinc/68/93/38/871689338.db2.gz VHUCVLJKFNZUBG-SNVBAGLBSA-N -1 3 390.324 3.565 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(Cl)s1 ZINC000462133657 871697576 /nfs/dbraw/zinc/69/75/76/871697576.db2.gz ZOERHSKNMBKBHD-SECBINFHSA-N -1 3 379.912 3.679 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000552073800 872001971 /nfs/dbraw/zinc/00/19/71/872001971.db2.gz VHRQMZJBZMGLDN-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000552100069 872057352 /nfs/dbraw/zinc/05/73/52/872057352.db2.gz YNYDERRLJDOVKP-AAEUAGOBSA-N -1 3 383.819 3.595 20 0 GHADHM CCCc1nc2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)cc2o1 ZINC001194982080 872087047 /nfs/dbraw/zinc/08/70/47/872087047.db2.gz TWPQPDFLUKFMME-UHFFFAOYSA-N -1 3 391.424 3.543 20 0 GHADHM CC[C@@H](C)N1CC2(CCC1=O)CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001271914269 872099961 /nfs/dbraw/zinc/09/99/61/872099961.db2.gz CLYWNEGRTUDTHO-CQSZACIVSA-N -1 3 378.900 3.689 20 0 GHADHM CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc([O-])ccc1Cl ZINC001271915586 872127212 /nfs/dbraw/zinc/12/72/12/872127212.db2.gz RJXSLDGKPPBOSV-HXUWFJFHSA-N -1 3 376.884 3.609 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000618962026 872215351 /nfs/dbraw/zinc/21/53/51/872215351.db2.gz FVPMXFWIBAEECJ-UHFFFAOYSA-N -1 3 394.450 3.743 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000447787529 872300144 /nfs/dbraw/zinc/30/01/44/872300144.db2.gz QSCJQTIEPXELMZ-UHFFFAOYSA-N -1 3 392.260 3.820 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)c1[O-] ZINC000552288152 872354794 /nfs/dbraw/zinc/35/47/94/872354794.db2.gz DUSJDJIRKQLDTF-SECBINFHSA-N -1 3 395.242 3.659 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000526960495 872362113 /nfs/dbraw/zinc/36/21/13/872362113.db2.gz AWRFJNUQUFMJJY-AWEZNQCLSA-N -1 3 383.345 3.511 20 0 GHADHM C[C@@H]1CCCN(CCOc2ccc(Cl)cc2Br)[C@H]1C(=O)[O-] ZINC000300295087 872372401 /nfs/dbraw/zinc/37/24/01/872372401.db2.gz MNVPBRKMAYXXJR-QMTHXVAHSA-N -1 3 376.678 3.666 20 0 GHADHM CCOC([O-])=NC(=S)Nc1c(C)cnn1Cc1cccc(C(F)(F)F)c1 ZINC001195458313 872402473 /nfs/dbraw/zinc/40/24/73/872402473.db2.gz RFWZTCZNWKYNQP-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1c(C)cnn1Cc1cccc(C(F)(F)F)c1 ZINC001195458313 872402481 /nfs/dbraw/zinc/40/24/81/872402481.db2.gz RFWZTCZNWKYNQP-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000175890746 882611839 /nfs/dbraw/zinc/61/18/39/882611839.db2.gz HHUKHBHSIVIEPU-UHFFFAOYSA-N -1 3 393.303 3.567 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)OCCCSc1ccccc1Cl ZINC000767329857 872429961 /nfs/dbraw/zinc/42/99/61/872429961.db2.gz LPHHGZXTDOTMMN-UHFFFAOYSA-N -1 3 379.865 3.501 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C1CC1)c1cc(Br)ccc1F ZINC001195497774 872448426 /nfs/dbraw/zinc/44/84/26/872448426.db2.gz AKSQNCMFCDQCNO-UHFFFAOYSA-N -1 3 384.270 3.944 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1F ZINC001195505278 872454780 /nfs/dbraw/zinc/45/47/80/872454780.db2.gz LJAOGXKXHZXYHD-OCCSQVGLSA-N -1 3 388.233 3.562 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cc(Br)ccc1F ZINC001195507369 872456012 /nfs/dbraw/zinc/45/60/12/872456012.db2.gz DZWVSUNLSWYGGM-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC001195544241 872476687 /nfs/dbraw/zinc/47/66/87/872476687.db2.gz IPTMSBDGCOYCGB-UHFFFAOYSA-N -1 3 375.924 3.503 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)c1[O-] ZINC000627276982 872497518 /nfs/dbraw/zinc/49/75/18/872497518.db2.gz UNCHBDAMJDSNCT-IAOVAPTHSA-N -1 3 386.245 3.882 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1nn(-c2ccccc2F)cc1Br ZINC001129367833 872564327 /nfs/dbraw/zinc/56/43/27/872564327.db2.gz WMBFYGXCPNPNJO-UHFFFAOYSA-N -1 3 397.154 3.699 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)c(C(F)(F)F)ccc2Cl)cn1 ZINC001195725313 872575827 /nfs/dbraw/zinc/57/58/27/872575827.db2.gz NBEUVSUMSLJRAK-UHFFFAOYSA-N -1 3 380.775 3.872 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000552382554 872577619 /nfs/dbraw/zinc/57/76/19/872577619.db2.gz WKZRMTPJGHXFQQ-UHFFFAOYSA-N -1 3 384.435 3.522 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC001195763973 872622043 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3.770 20 0 GHADHM c1nn(-c2ccncc2)c2ncnc([N-]c3nc4c(s3)COc3ccccc3-4)c12 ZINC000163103066 872792753 /nfs/dbraw/zinc/79/27/53/872792753.db2.gz YDSQEYKLIAVIGX-UHFFFAOYSA-N -1 3 399.439 3.970 20 0 GHADHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000767851603 872890501 /nfs/dbraw/zinc/89/05/01/872890501.db2.gz LRGFZNAAIFAECE-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000541078380 872912121 /nfs/dbraw/zinc/91/21/21/872912121.db2.gz JITWYBPKUGEGCE-UHFFFAOYSA-N -1 3 391.836 3.754 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCc2ccccc2)c1)c1ccc(Cl)cn1 ZINC001196252554 872971803 /nfs/dbraw/zinc/97/18/03/872971803.db2.gz AMSGIMOGZCMGBA-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000152922235 872980121 /nfs/dbraw/zinc/98/01/21/872980121.db2.gz RDOGLMYWCRBHSW-UHFFFAOYSA-N -1 3 377.326 3.712 20 0 GHADHM Cc1nc([N-]C(=O)c2snc(Cl)c2Cl)nc(C)c1Br ZINC001196333978 873039772 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GHADHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc2c1[N-]C(=O)C2=O ZINC001152460784 874472480 /nfs/dbraw/zinc/47/24/80/874472480.db2.gz TWMJTJUMUAJDJE-GOSISDBHSA-N -1 3 390.826 3.994 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(C)o1 ZINC001198547440 874496499 /nfs/dbraw/zinc/49/64/99/874496499.db2.gz KUVIZGMWBMKVTI-SNVBAGLBSA-N -1 3 393.690 3.829 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000770226213 874534409 /nfs/dbraw/zinc/53/44/09/874534409.db2.gz ZUHRNKWOCIALRL-CQSZACIVSA-N -1 3 379.400 3.726 20 0 GHADHM Cc1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)sc1C ZINC000177710701 882844992 /nfs/dbraw/zinc/84/49/92/882844992.db2.gz PGNCOEJMZARQFK-UHFFFAOYSA-N -1 3 379.913 3.970 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3ccccc3OC)c2)n1 ZINC000134318930 882849753 /nfs/dbraw/zinc/84/97/53/882849753.db2.gz KSMXWZORRVANAZ-UHFFFAOYSA-N -1 3 395.484 3.739 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775916288 874681572 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Cc1ncc(CNC(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000542413404 875520562 /nfs/dbraw/zinc/52/05/62/875520562.db2.gz NETPGWHONQJWCL-CYBMUJFWSA-N -1 3 380.423 3.857 20 0 GHADHM Cc1cnc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000771910666 875550635 /nfs/dbraw/zinc/55/06/35/875550635.db2.gz JASMLHRZJZQRJF-SFHVURJKSA-N -1 3 396.468 3.762 20 0 GHADHM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)c2)cn1 ZINC000475740115 882943904 /nfs/dbraw/zinc/94/39/04/882943904.db2.gz PQWYOMUFCMUDAM-UHFFFAOYSA-N -1 3 398.488 3.678 20 0 GHADHM CC(C)Oc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201282609 875589533 /nfs/dbraw/zinc/58/95/33/875589533.db2.gz IWBDXRFIMBSWSM-UHFFFAOYSA-N -1 3 393.267 3.793 20 0 GHADHM CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC001201402201 875658211 /nfs/dbraw/zinc/65/82/11/875658211.db2.gz RACXCBPICHMZEG-UHFFFAOYSA-N -1 3 397.884 3.599 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)C1 ZINC001201686977 875834514 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CCc1ccc([O-])c(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000176396023 876026860 /nfs/dbraw/zinc/02/68/60/876026860.db2.gz OAPCIUMCDBNCHX-KRWDZBQOSA-N -1 3 378.472 3.711 20 0 GHADHM CC[C@H](C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000172952682 876038033 /nfs/dbraw/zinc/03/80/33/876038033.db2.gz BJURQRUKBJUQPX-QMMMGPOBSA-N -1 3 385.121 3.597 20 0 GHADHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc([O-])cc(Br)c1 ZINC000529400380 876076388 /nfs/dbraw/zinc/07/63/88/876076388.db2.gz CAFLYKGPHREQAV-SJORKVTESA-N -1 3 376.250 3.805 20 0 GHADHM COc1ccc(NC(=O)Nc2ccc(I)cc2[O-])cc1 ZINC001202394446 876198071 /nfs/dbraw/zinc/19/80/71/876198071.db2.gz RFWOSAAEMCZXMA-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000529507782 876246664 /nfs/dbraw/zinc/24/66/64/876246664.db2.gz YFZZWLCQIPPHGE-INIZCTEOSA-N -1 3 380.282 3.576 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C2CC2)n1 ZINC000173465655 876401135 /nfs/dbraw/zinc/40/11/35/876401135.db2.gz RCPTWFIMTAIFRR-ZDUSSCGKSA-N -1 3 376.425 3.900 20 0 GHADHM C[C@@H](NC(=O)COC(=O)c1cc2occc2[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000786032137 876419765 /nfs/dbraw/zinc/41/97/65/876419765.db2.gz RFNZVMUQVDBKTB-SNVBAGLBSA-N -1 3 396.321 3.694 20 0 GHADHM CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)c1cc2occc2[n-]1 ZINC000786034309 876420753 /nfs/dbraw/zinc/42/07/53/876420753.db2.gz RAZHMUJBPVQLDF-UHFFFAOYSA-N -1 3 380.356 3.950 20 0 GHADHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000492237174 876489595 /nfs/dbraw/zinc/48/95/95/876489595.db2.gz AYZJVVOEDMLPHS-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)c1cc2c(cc1F)NC(=O)CC2 ZINC000786136183 876502226 /nfs/dbraw/zinc/50/22/26/876502226.db2.gz FATMWFGBPHOETA-UHFFFAOYSA-N -1 3 399.399 3.670 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Br)s1 ZINC001129613422 883038186 /nfs/dbraw/zinc/03/81/86/883038186.db2.gz SDMKWXNFUTVFKR-ZETCQYMHSA-N -1 3 396.245 3.572 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Br)s1 ZINC001129613422 883038195 /nfs/dbraw/zinc/03/81/95/883038195.db2.gz SDMKWXNFUTVFKR-ZETCQYMHSA-N -1 3 396.245 3.572 20 0 GHADHM COc1ccc2c(c1)N(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CCO2 ZINC000173736552 876599729 /nfs/dbraw/zinc/59/97/29/876599729.db2.gz SGCKVAZZVWBKHS-UHFFFAOYSA-N -1 3 395.440 3.652 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(Cl)cc1Br ZINC001129638751 883060263 /nfs/dbraw/zinc/06/02/63/883060263.db2.gz DDTVGRHLIHVMBB-UHFFFAOYSA-N -1 3 382.645 3.729 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613228 883062187 /nfs/dbraw/zinc/06/21/87/883062187.db2.gz PHXWIMQGSFFRKV-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613228 883062207 /nfs/dbraw/zinc/06/22/07/883062207.db2.gz PHXWIMQGSFFRKV-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM CO[C@]1(C)C[C@@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000174018596 876782035 /nfs/dbraw/zinc/78/20/35/876782035.db2.gz IYAOVOFWIAJLIE-JLTOFOAXSA-N -1 3 387.505 3.880 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786763558 876916638 /nfs/dbraw/zinc/91/66/38/876916638.db2.gz IWRUIEBPAWCTOX-UHFFFAOYSA-N -1 3 394.487 3.712 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccnc(SCC(F)(F)F)c1 ZINC000492515100 876981229 /nfs/dbraw/zinc/98/12/29/876981229.db2.gz LBUFZVNNSXEYHU-UHFFFAOYSA-N -1 3 378.379 3.800 20 0 GHADHM CCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c([O-])c1 ZINC000786848340 876981388 /nfs/dbraw/zinc/98/13/88/876981388.db2.gz LBSOGACDEVUDJM-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786863542 876988120 /nfs/dbraw/zinc/98/81/20/876988120.db2.gz FWUZKPIJXIAXIB-INIZCTEOSA-N -1 3 394.487 3.617 20 0 GHADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000174375560 876995975 /nfs/dbraw/zinc/99/59/75/876995975.db2.gz FELTWDSUBGFGGL-UHFFFAOYSA-N -1 3 390.221 3.635 20 0 GHADHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786983553 877088291 /nfs/dbraw/zinc/08/82/91/877088291.db2.gz IYKKSROSPSTJNS-OAQYLSRUSA-N -1 3 396.503 3.910 20 0 GHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787153335 877200243 /nfs/dbraw/zinc/20/02/43/877200243.db2.gz MSDLLILGYHXLJH-PWSUYJOCSA-N -1 3 399.285 3.739 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000787213248 877226643 /nfs/dbraw/zinc/22/66/43/877226643.db2.gz IHOSDIOPDAEPSV-LSDHHAIUSA-N -1 3 394.487 3.710 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)C[C@H]3CCCCC3(F)F)CCCCCC2)no1 ZINC000451039437 877249593 /nfs/dbraw/zinc/24/95/93/877249593.db2.gz YLBJABJMTCBOPG-CQSZACIVSA-N -1 3 391.484 3.672 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1cc(Cl)ccc1F ZINC000551476883 877286062 /nfs/dbraw/zinc/28/60/62/877286062.db2.gz CJAPHFHYZYRQGR-HNNXBMFYSA-N -1 3 386.876 3.578 20 0 GHADHM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787236625 877289982 /nfs/dbraw/zinc/28/99/82/877289982.db2.gz TYXIMEQNQPVPKX-CABCVRRESA-N -1 3 394.487 3.710 20 0 GHADHM CSc1ccccc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451066566 877323917 /nfs/dbraw/zinc/32/39/17/877323917.db2.gz NFZXGDMXUDVNLL-LLVKDONJSA-N -1 3 382.454 3.755 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787308451 877334759 /nfs/dbraw/zinc/33/47/59/877334759.db2.gz OJKUGXZRTUEMBV-GASCZTMLSA-N -1 3 394.487 3.710 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ncc(-c2ccccc2)o1 ZINC000551503979 877339749 /nfs/dbraw/zinc/33/97/49/877339749.db2.gz HBHIZENPMJRKFO-CYBMUJFWSA-N -1 3 389.477 3.808 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000787353131 877369029 /nfs/dbraw/zinc/36/90/29/877369029.db2.gz SYWFSGYAVLWDKF-CYBMUJFWSA-N -1 3 398.463 3.571 20 0 GHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000451231517 877625930 /nfs/dbraw/zinc/62/59/30/877625930.db2.gz PVOARDFSUXOPDS-OAHLLOKOSA-N -1 3 394.240 3.819 20 0 GHADHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)C1CC1 ZINC000787841824 877660836 /nfs/dbraw/zinc/66/08/36/877660836.db2.gz ARZLPVRKUHOICC-JOCHJYFZSA-N -1 3 385.435 3.665 20 0 GHADHM CSc1cccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787842698 877661855 /nfs/dbraw/zinc/66/18/55/877661855.db2.gz AEAJGNMNCFSRJM-UHFFFAOYSA-N -1 3 377.437 3.758 20 0 GHADHM CCOc1ccc(NC(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787846349 877663819 /nfs/dbraw/zinc/66/38/19/877663819.db2.gz VLUAIOONRNMVKB-AWEZNQCLSA-N -1 3 389.423 3.823 20 0 GHADHM CC[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(OC)cc1 ZINC000787846357 877666463 /nfs/dbraw/zinc/66/64/63/877666463.db2.gz VVSNYUSDMCCBPW-LJQANCHMSA-N -1 3 389.423 3.823 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1nnnn1C1CCCCC1 ZINC000787851545 877671815 /nfs/dbraw/zinc/67/18/15/877671815.db2.gz ZSXXBQCNZXIGAZ-CYBMUJFWSA-N -1 3 376.432 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)ccc(F)c3OC)c2)n1 ZINC000121731619 877692040 /nfs/dbraw/zinc/69/20/40/877692040.db2.gz AUNRVPHEYDORSP-UHFFFAOYSA-N -1 3 385.370 3.538 20 0 GHADHM Cc1ccc(C(=O)O[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000067989115 877737140 /nfs/dbraw/zinc/73/71/40/877737140.db2.gz PSGNOSKEDAOCNZ-NSHDSACASA-N -1 3 396.827 3.657 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(CCc1ccccc1)Cc1ccccc1 ZINC000110046783 877783646 /nfs/dbraw/zinc/78/36/46/877783646.db2.gz FUCOWNFLGHTMMB-UHFFFAOYSA-N -1 3 383.451 3.808 20 0 GHADHM Cc1ccncc1S(=O)(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000451382871 877880029 /nfs/dbraw/zinc/88/00/29/877880029.db2.gz IYRZFADAGFPENM-ZDUSSCGKSA-N -1 3 396.337 3.573 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c(C)ccnc2Cl)cc1Cl ZINC000788205352 877912856 /nfs/dbraw/zinc/91/28/56/877912856.db2.gz KIBCBBDUADIJFI-UHFFFAOYSA-N -1 3 392.239 3.595 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1C ZINC000788292022 877998936 /nfs/dbraw/zinc/99/89/36/877998936.db2.gz YJIACJFJGOJQLG-UHFFFAOYSA-N -1 3 390.486 3.929 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000176189915 878136998 /nfs/dbraw/zinc/13/69/98/878136998.db2.gz VBAOSDIZLGNVED-LJQANCHMSA-N -1 3 377.444 3.850 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNc3cc(Cl)nc(C4CC4)n3)c2)[n-]1 ZINC000788571776 878175232 /nfs/dbraw/zinc/17/52/32/878175232.db2.gz MLBYOMMVKNXJIH-UHFFFAOYSA-N -1 3 398.854 3.581 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNc3cc(Cl)nc(C4CC4)n3)c2)n[n-]1 ZINC000788571776 878175238 /nfs/dbraw/zinc/17/52/38/878175238.db2.gz MLBYOMMVKNXJIH-UHFFFAOYSA-N -1 3 398.854 3.581 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537742431 878230160 /nfs/dbraw/zinc/23/01/60/878230160.db2.gz JPIYOTLSABEMLB-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000176437154 878262971 /nfs/dbraw/zinc/26/29/71/878262971.db2.gz BQKROUDQJMEWRP-UHFFFAOYSA-N -1 3 395.484 3.769 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc3sc(N(C)C)nc3s2)c([O-])c1 ZINC000537769141 878270999 /nfs/dbraw/zinc/27/09/99/878270999.db2.gz FCESFRXTHVHGPJ-UHFFFAOYSA-N -1 3 391.474 3.558 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000537836622 878362981 /nfs/dbraw/zinc/36/29/81/878362981.db2.gz HNZFQLJTQFEHMW-UHFFFAOYSA-N -1 3 389.864 3.652 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1[O-] ZINC000530716758 878376720 /nfs/dbraw/zinc/37/67/20/878376720.db2.gz NZQVRUBTEPRPQN-KRWDZBQOSA-N -1 3 390.277 3.931 20 0 GHADHM Cc1cccc(C(NC(=O)CNC(=O)c2ccc([O-])cc2)c2cccc(C)c2)c1 ZINC000530753465 878422849 /nfs/dbraw/zinc/42/28/49/878422849.db2.gz QXIVGEBXNIRHIZ-UHFFFAOYSA-N -1 3 388.467 3.645 20 0 GHADHM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)sn1 ZINC000176855642 878452905 /nfs/dbraw/zinc/45/29/05/878452905.db2.gz UAAFZUZIWLAYNG-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000852875268 878640635 /nfs/dbraw/zinc/64/06/35/878640635.db2.gz VIXXQVXDHXVRAY-UHFFFAOYSA-N -1 3 394.450 3.524 20 0 GHADHM COC[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180198061 878646374 /nfs/dbraw/zinc/64/63/74/878646374.db2.gz BXQAWUXOUWRXHR-JTQLQIEISA-N -1 3 393.119 3.776 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000538011230 878671920 /nfs/dbraw/zinc/67/19/20/878671920.db2.gz ICCXXHXKLSWPHD-UHFFFAOYSA-N -1 3 393.505 3.828 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC)Oc3ccccc3F)c2)n1 ZINC000177543444 878748356 /nfs/dbraw/zinc/74/83/56/878748356.db2.gz ACZOMOCNHKBLSU-GOSISDBHSA-N -1 3 395.434 3.935 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@H]1CC=C(C(=O)[O-])C1 ZINC000853034633 878763206 /nfs/dbraw/zinc/76/32/06/878763206.db2.gz DEKVHVXGPGSACC-AWEZNQCLSA-N -1 3 380.275 3.810 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000451955430 878765350 /nfs/dbraw/zinc/76/53/50/878765350.db2.gz DNMPEAZOMCVEEJ-UHFFFAOYSA-N -1 3 382.791 3.778 20 0 GHADHM O=C([N-]c1nc(CN2CCCCCC2)cs1)c1cc(-c2ccccn2)no1 ZINC000530952324 878833424 /nfs/dbraw/zinc/83/34/24/878833424.db2.gz VTOANSKUXDRJFR-UHFFFAOYSA-N -1 3 383.477 3.821 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)s1 ZINC000460929346 878836046 /nfs/dbraw/zinc/83/60/46/878836046.db2.gz DSYKNBUBDHHWTL-CMPLNLGQSA-N -1 3 376.425 3.559 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CC)c2ccccc2OC(F)F)s1 ZINC000460946739 878838760 /nfs/dbraw/zinc/83/87/60/878838760.db2.gz CPVDAFBZFSFATM-NSHDSACASA-N -1 3 376.450 3.737 20 0 GHADHM C[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178267019 879065246 /nfs/dbraw/zinc/06/52/46/879065246.db2.gz VGLQJHHJFSEEPP-GFCCVEGCSA-N -1 3 375.266 3.811 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2n(C)c1=O ZINC000643043025 912426841 /nfs/dbraw/zinc/42/68/41/912426841.db2.gz HPQBHEGPAIUTGQ-NTWVGPGCSA-N -1 3 383.492 3.518 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1[O-] ZINC000531116555 879201715 /nfs/dbraw/zinc/20/17/15/879201715.db2.gz SOIQJHIQFXTYNQ-HNNXBMFYSA-N -1 3 399.466 3.768 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000616887057 879202952 /nfs/dbraw/zinc/20/29/52/879202952.db2.gz PIPVVQJTKLCWKE-NRFANRHFSA-N -1 3 376.456 3.552 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc3c(s1)CCCCC3)c2=O ZINC000538344769 879323490 /nfs/dbraw/zinc/32/34/90/879323490.db2.gz BQYNILBJLZRDKR-UHFFFAOYSA-N -1 3 387.436 3.654 20 0 GHADHM CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000789995121 879385722 /nfs/dbraw/zinc/38/57/22/879385722.db2.gz VMJFFPQWGMCLNI-UHFFFAOYSA-N -1 3 397.884 3.822 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001183367447 912484301 /nfs/dbraw/zinc/48/43/01/912484301.db2.gz FZFPDCCDHIWHRJ-CHWSQXEVSA-N -1 3 382.420 3.524 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000538587181 879723242 /nfs/dbraw/zinc/72/32/42/879723242.db2.gz GRHBMBGLXIRFDG-LLVKDONJSA-N -1 3 379.254 3.657 20 0 GHADHM C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(F)(F)F ZINC000666000053 879834065 /nfs/dbraw/zinc/83/40/65/879834065.db2.gz ONUJWKOSFZXMIZ-QMMMGPOBSA-N -1 3 391.187 3.609 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](OC3CCCC3)c3ccccc3)nc21 ZINC000494081103 879902442 /nfs/dbraw/zinc/90/24/42/879902442.db2.gz CROPFSKSNFRYMV-LJQANCHMSA-N -1 3 393.443 3.989 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC=C(C)C ZINC000790889062 880049394 /nfs/dbraw/zinc/04/93/94/880049394.db2.gz OKFOSXQQJVVSAQ-UHFFFAOYSA-N -1 3 382.707 3.746 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C(C)(F)F)c2)cc1 ZINC000452849029 880100428 /nfs/dbraw/zinc/10/04/28/880100428.db2.gz QBYLBYHCYHEQJU-CQSZACIVSA-N -1 3 396.459 3.878 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(C)(F)F)c2)cc1 ZINC000452849028 880100738 /nfs/dbraw/zinc/10/07/38/880100738.db2.gz QBYLBYHCYHEQJU-AWEZNQCLSA-N -1 3 396.459 3.878 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000854889725 880121405 /nfs/dbraw/zinc/12/14/05/880121405.db2.gz OSXQOEHRTFREHL-CHWSQXEVSA-N -1 3 380.510 3.537 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000531567731 880126915 /nfs/dbraw/zinc/12/69/15/880126915.db2.gz ACNDPTILLUSGQA-UHFFFAOYSA-N -1 3 389.312 3.843 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000854906310 880139163 /nfs/dbraw/zinc/13/91/63/880139163.db2.gz AUBGVLTXSGYFFT-LJQANCHMSA-N -1 3 393.455 3.978 20 0 GHADHM CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)c3ccc([S-])cc3)C[C@H](C1)O2 ZINC001272017554 880252497 /nfs/dbraw/zinc/25/24/97/880252497.db2.gz XWIZGMQRZSSDGF-YTQUADARSA-N -1 3 376.566 3.717 20 0 GHADHM Cc1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c(O[C@@H](C)CC(C)C)c1 ZINC000531831089 880574003 /nfs/dbraw/zinc/57/40/03/880574003.db2.gz GKCGTAXELYJTPQ-KRWDZBQOSA-N -1 3 398.503 3.560 20 0 GHADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000185976815 880746501 /nfs/dbraw/zinc/74/65/01/880746501.db2.gz SYHUVCIFJIVWPB-NXEZZACHSA-N -1 3 388.695 3.754 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186325943 880855413 /nfs/dbraw/zinc/85/54/13/880855413.db2.gz CDBUXTRAAHKMDD-AWEZNQCLSA-N -1 3 389.455 3.918 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)cc1 ZINC000792032708 880868860 /nfs/dbraw/zinc/86/88/60/880868860.db2.gz FKQBWEOQCYKLBU-IBGZPJMESA-N -1 3 379.412 3.588 20 0 GHADHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792057859 880872640 /nfs/dbraw/zinc/87/26/40/880872640.db2.gz LPPSCGPRRQYIHA-FQEVSTJZSA-N -1 3 390.439 3.797 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792081528 880914851 /nfs/dbraw/zinc/91/48/51/880914851.db2.gz CXJCLCUBQGYMOL-OAHLLOKOSA-N -1 3 384.476 3.922 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000792194111 880981789 /nfs/dbraw/zinc/98/17/89/880981789.db2.gz GEVOVSISHYEAEG-RDTXWAMCSA-N -1 3 384.476 3.921 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)[n-]c1-c1ccccc1 ZINC000186854553 881005479 /nfs/dbraw/zinc/00/54/79/881005479.db2.gz NSWSGIXHOMIQNL-UHFFFAOYSA-N -1 3 396.447 3.684 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)nc1-c1ccccc1 ZINC000186854553 881005495 /nfs/dbraw/zinc/00/54/95/881005495.db2.gz NSWSGIXHOMIQNL-UHFFFAOYSA-N -1 3 396.447 3.684 20 0 GHADHM O=C(N[C@H](CO)c1ccc(Br)cc1)c1cc([O-])c2ccccc2c1 ZINC000792289204 881015431 /nfs/dbraw/zinc/01/54/31/881015431.db2.gz NNZBOHRSZXGTII-QGZVFWFLSA-N -1 3 386.245 3.771 20 0 GHADHM CC[C@H](C)N1CC[C@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275211032 912639669 /nfs/dbraw/zinc/63/96/69/912639669.db2.gz YHLAPVUBGLGSGX-SCLBCKFNSA-N -1 3 381.314 3.520 20 0 GHADHM CC(C)CNC(=O)[C@@H]1CC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275212536 912645781 /nfs/dbraw/zinc/64/57/81/912645781.db2.gz JXXXIKPLZYHRBT-HNNXBMFYSA-N -1 3 395.341 3.529 20 0 GHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000122039160 881134372 /nfs/dbraw/zinc/13/43/72/881134372.db2.gz WQERXUFPBLGLOR-UHFFFAOYSA-N -1 3 387.505 3.713 20 0 GHADHM CCCCN1CC[C@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275209772 912652045 /nfs/dbraw/zinc/65/20/45/912652045.db2.gz MOIXRAHNHJBDOC-GOSISDBHSA-N -1 3 381.314 3.522 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccccc2)c2ccccc2)[n-]1 ZINC000187596752 881242862 /nfs/dbraw/zinc/24/28/62/881242862.db2.gz MDVPIUHWJVZWJJ-UHFFFAOYSA-N -1 3 381.457 3.522 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnn1-c1ccccc1 ZINC000120024555 881288499 /nfs/dbraw/zinc/28/84/99/881288499.db2.gz OEYLKDKUDICZNX-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM COc1ccc(N[C@@H](c2ncc[nH]2)C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000286284373 912667545 /nfs/dbraw/zinc/66/75/45/912667545.db2.gz WDLKSSHXFRANMC-QGZVFWFLSA-N -1 3 378.498 3.523 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001129727426 883136504 /nfs/dbraw/zinc/13/65/04/883136504.db2.gz FRQWBBQSTGMYNP-UHFFFAOYSA-N -1 3 383.427 3.756 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001129727426 883136511 /nfs/dbraw/zinc/13/65/11/883136511.db2.gz FRQWBBQSTGMYNP-UHFFFAOYSA-N -1 3 383.427 3.756 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(Br)cs1 ZINC000747203734 883156221 /nfs/dbraw/zinc/15/62/21/883156221.db2.gz BMYKKFKTMMNKTB-UHFFFAOYSA-N -1 3 384.299 3.710 20 0 GHADHM COc1cc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc2c1OCCO2 ZINC000551055230 883193432 /nfs/dbraw/zinc/19/34/32/883193432.db2.gz JRQAKHZHTTVZTG-QHCPKHFHSA-N -1 3 397.471 3.608 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000182294627 883214421 /nfs/dbraw/zinc/21/44/21/883214421.db2.gz MVWWXOXULGMKLR-CYBMUJFWSA-N -1 3 399.834 3.821 20 0 GHADHM Cc1ccc(-c2csc3[n-]c(CC(=O)NCc4ccccc4)nc(=O)c23)s1 ZINC000055491044 883392581 /nfs/dbraw/zinc/39/25/81/883392581.db2.gz IONOIRGNSLWATE-UHFFFAOYSA-N -1 3 395.509 3.880 20 0 GHADHM Cc1cccc([C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C(C)C)c1 ZINC000858880246 883424642 /nfs/dbraw/zinc/42/46/42/883424642.db2.gz WCQIKODYZTWMFI-NVXWUHKLSA-N -1 3 399.457 3.792 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Oc2ccccc2)cc1 ZINC000078549648 883503601 /nfs/dbraw/zinc/50/36/01/883503601.db2.gz LNDDEAXHBKWACA-CQSZACIVSA-N -1 3 386.407 3.854 20 0 GHADHM COc1ccc(C(C)(C)c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1OC ZINC000445688397 883557827 /nfs/dbraw/zinc/55/78/27/883557827.db2.gz CVQWIOMYGINWFP-UHFFFAOYSA-N -1 3 384.388 3.514 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c(C)o1 ZINC000135833120 883563585 /nfs/dbraw/zinc/56/35/85/883563585.db2.gz PLUJOVWAWLPXHM-UHFFFAOYSA-N -1 3 397.758 3.848 20 0 GHADHM O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000186885047 883727052 /nfs/dbraw/zinc/72/70/52/883727052.db2.gz UETKUGATGLPQGV-INIZCTEOSA-N -1 3 398.413 3.566 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000477168277 883828654 /nfs/dbraw/zinc/82/86/54/883828654.db2.gz PZSPWQCNWMWNDL-UHFFFAOYSA-N -1 3 393.303 3.647 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc3c2CCC3)ccc1F ZINC001130328863 884008767 /nfs/dbraw/zinc/00/87/67/884008767.db2.gz ZQRGASAFYMZXDB-UHFFFAOYSA-N -1 3 391.464 3.610 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c([O-])c1 ZINC000190042917 884045022 /nfs/dbraw/zinc/04/50/22/884045022.db2.gz IPVRVJLYTAQDSY-UHFFFAOYSA-N -1 3 396.487 3.606 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024885328 884084083 /nfs/dbraw/zinc/08/40/83/884084083.db2.gz YIVCLNRINKJQQB-NSHDSACASA-N -1 3 384.910 3.831 20 0 GHADHM CCOCCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000152619454 884160670 /nfs/dbraw/zinc/16/06/70/884160670.db2.gz LDKWHAKKGQKDAP-UHFFFAOYSA-N -1 3 399.329 3.941 20 0 GHADHM CC[C@@H](C)NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533626 884180673 /nfs/dbraw/zinc/18/06/73/884180673.db2.gz VXUVTURWGXGSMW-GHMZBOCLSA-N -1 3 391.518 3.781 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000476175590 884199755 /nfs/dbraw/zinc/19/97/55/884199755.db2.gz VLQUWPMUTMWGOU-JTQLQIEISA-N -1 3 382.313 3.542 20 0 GHADHM CCN(CC(=O)Nc1ccccc1OC)Cc1cccc(Br)c1[O-] ZINC000154838401 884500013 /nfs/dbraw/zinc/50/00/13/884500013.db2.gz MUDOBBJJORFJME-UHFFFAOYSA-N -1 3 393.281 3.624 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccncc2)C1)c1c(Cl)cccc1Cl ZINC000556323205 884500565 /nfs/dbraw/zinc/50/05/65/884500565.db2.gz PEFSIDYSXSMCEC-WFASDCNBSA-N -1 3 387.288 3.587 20 0 GHADHM O=S(=O)([N-]Cc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1Cl ZINC000556355378 884571386 /nfs/dbraw/zinc/57/13/86/884571386.db2.gz MGMBUCAQFYTNNN-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898204950 884630912 /nfs/dbraw/zinc/63/09/12/884630912.db2.gz FYHYBDSLQOMIGN-QMMMGPOBSA-N -1 3 393.287 3.783 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216341 884635843 /nfs/dbraw/zinc/63/58/43/884635843.db2.gz QGRJQDREXSGBCZ-DELQEKLWSA-N -1 3 385.773 3.731 20 0 GHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898261301 884683238 /nfs/dbraw/zinc/68/32/38/884683238.db2.gz ICYLJTJWXNIAAU-UHFFFAOYSA-N -1 3 382.489 3.511 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1ccc(Br)s1 ZINC000643802734 912869020 /nfs/dbraw/zinc/86/90/20/912869020.db2.gz IFKKKWNBUGQZMF-UHFFFAOYSA-N -1 3 386.336 3.911 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nc2c(cccc2Br)s1 ZINC000806742095 884973004 /nfs/dbraw/zinc/97/30/04/884973004.db2.gz YFHIWHCDEILIQY-UHFFFAOYSA-N -1 3 379.239 3.707 20 0 GHADHM Cc1c([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cnn1-c1ccc(F)cc1 ZINC000053462144 884979562 /nfs/dbraw/zinc/97/95/62/884979562.db2.gz CMJRSDXJVRCSJC-ZDUSSCGKSA-N -1 3 390.418 3.652 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000424266529 884985552 /nfs/dbraw/zinc/98/55/52/884985552.db2.gz WTNUIWYDMCATPI-FQEVSTJZSA-N -1 3 386.536 3.724 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cccc(Cl)c1F ZINC000106446605 885054511 /nfs/dbraw/zinc/05/45/11/885054511.db2.gz CJNHRJGIIYAJHM-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM COc1cc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)c(SC)cc1OC ZINC000266022213 885103889 /nfs/dbraw/zinc/10/38/89/885103889.db2.gz UZZTXVBCVJIGOX-UHFFFAOYSA-N -1 3 394.468 3.612 20 0 GHADHM COc1ccc([C@@H](NC(=O)COC(=O)c2cc3ccsc3[n-]2)C(C)C)cc1 ZINC000914890906 885115937 /nfs/dbraw/zinc/11/59/37/885115937.db2.gz JUWQCMMITCSBAH-SFHVURJKSA-N -1 3 386.473 3.908 20 0 GHADHM Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c(C)c1 ZINC000914891739 885119343 /nfs/dbraw/zinc/11/93/43/885119343.db2.gz RXDLDJPYXXLTEY-GFCCVEGCSA-N -1 3 385.445 3.740 20 0 GHADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000795849399 912908324 /nfs/dbraw/zinc/90/83/24/912908324.db2.gz XRWDCKCVORVQPY-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM O=C(Nc1cncc([O-])c1)C1(Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC001183967844 912930998 /nfs/dbraw/zinc/93/09/98/912930998.db2.gz PZJPEASITNOCBE-UHFFFAOYSA-N -1 3 380.366 3.784 20 0 GHADHM COc1ccc(F)c2[nH]c(C(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000476382679 885461654 /nfs/dbraw/zinc/46/16/54/885461654.db2.gz XTBJSZBGQKPREX-UHFFFAOYSA-N -1 3 393.212 3.714 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(Cl)c1Cl ZINC000614824356 885568873 /nfs/dbraw/zinc/56/88/73/885568873.db2.gz KCYUWJWDDIXGAK-QWRGUYRKSA-N -1 3 396.274 3.796 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000747408618 885572163 /nfs/dbraw/zinc/57/21/63/885572163.db2.gz QJJKJRHMUCHAKU-HUUCEWRRSA-N -1 3 378.469 3.549 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000807813183 885737301 /nfs/dbraw/zinc/73/73/01/885737301.db2.gz YIVCDUCXMJURBZ-JOCHJYFZSA-N -1 3 388.508 3.818 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000861921971 885994292 /nfs/dbraw/zinc/99/42/92/885994292.db2.gz RQTTWOOWXPPDCU-SJORKVTESA-N -1 3 388.508 3.810 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C(=O)Nc1cncc([O-])c1 ZINC001184143118 913027775 /nfs/dbraw/zinc/02/77/75/913027775.db2.gz CAMZZHXHQHVQGE-LPHOPBHVSA-N -1 3 397.475 3.909 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1ccc(F)cc1C(F)(F)F ZINC000556830794 886284422 /nfs/dbraw/zinc/28/44/22/886284422.db2.gz JVBVZCNLRLWKOC-UHFFFAOYSA-N -1 3 388.386 3.640 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc(Cl)ccc1Cl ZINC000762520649 886327805 /nfs/dbraw/zinc/32/78/05/886327805.db2.gz FOZIXSLMUKGWCX-NTZNESFSSA-N -1 3 384.375 3.651 20 0 GHADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000014097546 886378343 /nfs/dbraw/zinc/37/83/43/886378343.db2.gz MAYGMCGBHLBKOF-VAWYXSNFSA-N -1 3 385.894 3.546 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001184190888 913049946 /nfs/dbraw/zinc/04/99/46/913049946.db2.gz HYWCKQCZDCNCGT-MRXNPFEDSA-N -1 3 382.847 3.632 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)n[n-]1 ZINC000499067757 886545720 /nfs/dbraw/zinc/54/57/20/886545720.db2.gz GQWHOXBPWOSTAD-UHFFFAOYSA-N -1 3 392.444 3.804 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000173475145 886553927 /nfs/dbraw/zinc/55/39/27/886553927.db2.gz KWICCAPPHUULAB-HTAPYJJXSA-N -1 3 376.456 3.734 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)n[n-]c21 ZINC000808674613 886670057 /nfs/dbraw/zinc/67/00/57/886670057.db2.gz VLMZWIIAFYEFHP-AWEZNQCLSA-N -1 3 381.432 3.681 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000808674613 886670065 /nfs/dbraw/zinc/67/00/65/886670065.db2.gz VLMZWIIAFYEFHP-AWEZNQCLSA-N -1 3 381.432 3.681 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nnc(-c4ccc(F)cc4)o3)n[n-]c21 ZINC000808675512 886671156 /nfs/dbraw/zinc/67/11/56/886671156.db2.gz JJHKIFCHINEVSH-JTQLQIEISA-N -1 3 382.351 3.679 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nnc(-c4ccc(F)cc4)o3)[n-]nc21 ZINC000808675512 886671161 /nfs/dbraw/zinc/67/11/61/886671161.db2.gz JJHKIFCHINEVSH-JTQLQIEISA-N -1 3 382.351 3.679 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H]1c1cccs1 ZINC000640290953 886672524 /nfs/dbraw/zinc/67/25/24/886672524.db2.gz UYIYITJPRYOLJW-JTQLQIEISA-N -1 3 378.807 3.951 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](Cc3ccc(Cl)cc3F)C(C)=O)n[n-]c21 ZINC000808674944 886672460 /nfs/dbraw/zinc/67/24/60/886672460.db2.gz RSXQMZPWQJYQCG-MRXNPFEDSA-N -1 3 390.798 3.721 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](Cc3ccc(Cl)cc3F)C(C)=O)[n-]nc21 ZINC000808674944 886672470 /nfs/dbraw/zinc/67/24/70/886672470.db2.gz RSXQMZPWQJYQCG-MRXNPFEDSA-N -1 3 390.798 3.721 20 0 GHADHM COc1ccc([C@H](C)N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640291272 886693466 /nfs/dbraw/zinc/69/34/66/886693466.db2.gz ACOHHUDNFIOILR-JTQLQIEISA-N -1 3 390.793 3.754 20 0 GHADHM O=C([N-]c1ccncc1F)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000132183209 886723922 /nfs/dbraw/zinc/72/39/22/886723922.db2.gz XQBVFNFJJYQHFS-UHFFFAOYSA-N -1 3 383.383 3.921 20 0 GHADHM O=c1nc(CN2CCO[C@@H](c3ccsc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000125163536 886833436 /nfs/dbraw/zinc/83/34/36/886833436.db2.gz IGUMEUJCHIBGFV-OAHLLOKOSA-N -1 3 399.497 3.880 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(C)C ZINC001212205876 886898524 /nfs/dbraw/zinc/89/85/24/886898524.db2.gz YYENJAOFORLTET-AWEZNQCLSA-N -1 3 388.942 3.803 20 0 GHADHM Cc1sc(Cl)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000762867299 886923520 /nfs/dbraw/zinc/92/35/20/886923520.db2.gz YIROSUQEDGJWBL-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc(C(F)(F)F)cnc1Cl ZINC000863264202 886979447 /nfs/dbraw/zinc/97/94/47/886979447.db2.gz YVBPHEOCBKUNSF-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CNc3ccccc3)cc2)cc1 ZINC000237857891 886999533 /nfs/dbraw/zinc/99/95/33/886999533.db2.gz SSUNIYHHXCYRRO-UHFFFAOYSA-N -1 3 395.484 3.846 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000841696289 887136559 /nfs/dbraw/zinc/13/65/59/887136559.db2.gz UKHQFUBUZSEHQL-UHFFFAOYSA-N -1 3 382.464 3.969 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000128196510 887156587 /nfs/dbraw/zinc/15/65/87/887156587.db2.gz FYGKUEYVKNSRRE-GFCCVEGCSA-N -1 3 396.340 3.537 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)s1 ZINC000193743517 887373584 /nfs/dbraw/zinc/37/35/84/887373584.db2.gz WSLNBTGOZSPIOJ-UHFFFAOYSA-N -1 3 396.398 3.687 20 0 GHADHM CSc1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)n[n-]1 ZINC000863862549 887421981 /nfs/dbraw/zinc/42/19/81/887421981.db2.gz XZPXAZSKYKGGAG-UHFFFAOYSA-N -1 3 383.861 3.779 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Sc3ccccn3)c2)n1 ZINC000132035128 887601263 /nfs/dbraw/zinc/60/12/63/887601263.db2.gz DNWNIQPGYYUMOY-CYBMUJFWSA-N -1 3 380.473 3.514 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(OC)c2)c1 ZINC000794594118 887617821 /nfs/dbraw/zinc/61/78/21/887617821.db2.gz DTIXUPPMKRVESP-UHFFFAOYSA-N -1 3 389.260 3.791 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1F ZINC000794608140 887673830 /nfs/dbraw/zinc/67/38/30/887673830.db2.gz HKFWKVPGLXKYKY-WAYWQWQTSA-N -1 3 387.791 3.817 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc3oc4ccccc4c3c2)c1 ZINC000536629475 887766805 /nfs/dbraw/zinc/76/68/05/887766805.db2.gz QEBXQNCJCTUQBR-UHFFFAOYSA-N -1 3 381.413 3.605 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000864506696 887811957 /nfs/dbraw/zinc/81/19/57/887811957.db2.gz ZJAKAYLILHGXMH-IBGZPJMESA-N -1 3 386.879 3.882 20 0 GHADHM O=C([O-])[C@H](CC1CC1)NCc1c(F)ccc(C(F)(F)F)c1Br ZINC000864512236 887817065 /nfs/dbraw/zinc/81/70/65/887817065.db2.gz CTQIVUKKFMMOMM-NSHDSACASA-N -1 3 384.167 3.950 20 0 GHADHM CC(C)(C)c1csc(CNC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])n1 ZINC000864513559 887818112 /nfs/dbraw/zinc/81/81/12/887818112.db2.gz GGYPEIVPNSCSDU-LLVKDONJSA-N -1 3 386.439 3.891 20 0 GHADHM C[C@@H]1CCC[C@@H]([C@H](CNCc2ncc(Br)cc2F)CC(=O)[O-])C1 ZINC000864534634 887840338 /nfs/dbraw/zinc/84/03/38/887840338.db2.gz YHFINPAVEACVSC-UPJWGTAASA-N -1 3 387.293 3.990 20 0 GHADHM O=C1[N-]C(=O)/C(=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ccccc21 ZINC000794695886 887869681 /nfs/dbraw/zinc/86/96/81/887869681.db2.gz ANDBIKUXOBXGLB-MFOYZWKCSA-N -1 3 383.329 3.702 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1C ZINC000614837803 887882342 /nfs/dbraw/zinc/88/23/42/887882342.db2.gz NFXKOCBPLXMMFS-GOSISDBHSA-N -1 3 391.489 3.671 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)n1 ZINC000134946441 887928951 /nfs/dbraw/zinc/92/89/51/887928951.db2.gz ZLFLZTMEXMLNEB-UHFFFAOYSA-N -1 3 390.374 3.792 20 0 GHADHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000614843073 887946326 /nfs/dbraw/zinc/94/63/26/887946326.db2.gz LYXJKKHTEZYLEC-QGZVFWFLSA-N -1 3 393.530 3.627 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000729662329 888227981 /nfs/dbraw/zinc/22/79/81/888227981.db2.gz LAMQSKMRMHCOSR-UHFFFAOYSA-N -1 3 383.754 3.507 20 0 GHADHM CCc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1CC ZINC000810201959 888288426 /nfs/dbraw/zinc/28/84/26/888288426.db2.gz PSDUJJAZDJTWJM-ZDUSSCGKSA-N -1 3 385.430 3.734 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)cc1C ZINC000614857131 888308156 /nfs/dbraw/zinc/30/81/56/888308156.db2.gz AUXYBFLPDJPAKQ-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(C(F)(F)F)c2)s1)c1cc2ncccn2n1 ZINC001132209132 888395433 /nfs/dbraw/zinc/39/54/33/888395433.db2.gz OATKBFOJPUCSKA-UHFFFAOYSA-N -1 3 390.350 3.519 20 0 GHADHM [O-]c1cccc(CNCc2ccc(N3CCCCC3)nc2)c1Br ZINC000459379499 888448908 /nfs/dbraw/zinc/44/89/08/888448908.db2.gz SGXCBLDZEHHVFX-UHFFFAOYSA-N -1 3 376.298 3.830 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c(=O)[n-]1 ZINC000032743156 888537111 /nfs/dbraw/zinc/53/71/11/888537111.db2.gz DUCBDLDAGNVACH-UHFFFAOYSA-N -1 3 382.489 3.815 20 0 GHADHM O=c1[n-]c(CNCc2ccc(-c3cccc(Cl)c3)s2)nc2c1COCC2 ZINC000865867325 888622448 /nfs/dbraw/zinc/62/24/48/888622448.db2.gz KLLWLEJJZDBPAB-UHFFFAOYSA-N -1 3 387.892 3.927 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)cc1 ZINC000747608767 888637969 /nfs/dbraw/zinc/63/79/69/888637969.db2.gz MZFJZBPPZDDWMO-GSHXUFRSSA-N -1 3 389.473 3.851 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccn3Cc3cccs3)cc2)n1 ZINC000195488663 888670082 /nfs/dbraw/zinc/67/00/82/888670082.db2.gz PHCJJIZZYCUERB-UHFFFAOYSA-N -1 3 390.468 3.909 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H](CCCc2ccccc2)C1 ZINC000153837583 888698129 /nfs/dbraw/zinc/69/81/29/888698129.db2.gz ZHIHXPJDVTWHOK-SFHVURJKSA-N -1 3 375.472 3.798 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)cc2)cc(=O)[n-]1 ZINC000454302969 888736538 /nfs/dbraw/zinc/73/65/38/888736538.db2.gz DGZBDWZCJPZMIM-XLIONFOSSA-N -1 3 386.496 3.568 20 0 GHADHM Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000532786934 888946630 /nfs/dbraw/zinc/94/66/30/888946630.db2.gz KJBYJFICVMGWNH-LLVKDONJSA-N -1 3 381.436 3.688 20 0 GHADHM CCN(CCc1nccs1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000532801096 888972579 /nfs/dbraw/zinc/97/25/79/888972579.db2.gz CLBUNBXTFVYIFK-UHFFFAOYSA-N -1 3 383.477 3.711 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866628740 888980981 /nfs/dbraw/zinc/98/09/81/888980981.db2.gz QMNXKSWEGDNYHW-LBPRGKRZSA-N -1 3 382.489 3.538 20 0 GHADHM C/C(=C/C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000810901022 889010521 /nfs/dbraw/zinc/01/05/21/889010521.db2.gz VPYDTAYOEFQIBK-FSBNRTBOSA-N -1 3 388.817 3.660 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1)C(F)(F)F ZINC000810902157 889011995 /nfs/dbraw/zinc/01/19/95/889011995.db2.gz FIJPBIPBAOBSPI-HNNXBMFYSA-N -1 3 390.405 3.884 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810906349 889013113 /nfs/dbraw/zinc/01/31/13/889013113.db2.gz SCRJEOJKZOZIRK-BZUAXINKSA-N -1 3 396.453 3.893 20 0 GHADHM [O-]c1c(Br)cc(CNCCC(F)(F)F)cc1Br ZINC000236586729 889017786 /nfs/dbraw/zinc/01/77/86/889017786.db2.gz LQSLUPOPSYDTLP-UHFFFAOYSA-N -1 3 376.998 3.959 20 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C[C@H](CCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)CC(C)(C)C ZINC000811906438 890108096 /nfs/dbraw/zinc/10/80/96/890108096.db2.gz CDOGRPKLDLQLTF-ZIAGYGMSSA-N -1 3 379.467 3.549 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3C(=O)N3CCCCC3)n[n-]2)o1 ZINC000916861095 890298762 /nfs/dbraw/zinc/29/87/62/890298762.db2.gz QWVLAFAEAOHOOQ-UHFFFAOYSA-N -1 3 379.416 3.823 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3C(=O)N3CCCCC3)[n-]n2)o1 ZINC000916861095 890298776 /nfs/dbraw/zinc/29/87/76/890298776.db2.gz QWVLAFAEAOHOOQ-UHFFFAOYSA-N -1 3 379.416 3.823 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(C)cn1 ZINC000533331336 890314527 /nfs/dbraw/zinc/31/45/27/890314527.db2.gz DYMPZTROSKLFIR-UHFFFAOYSA-N -1 3 379.894 3.698 20 0 GHADHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Br)cc2[O-])n1 ZINC000126028507 890339797 /nfs/dbraw/zinc/33/97/97/890339797.db2.gz OJFYNPMUFREBHH-UHFFFAOYSA-N -1 3 382.258 3.797 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126122322 890375289 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CCOc1cc(Br)c(CC(=O)[N-]OC/C=C\Cl)cc1OCC ZINC000812399409 890583621 /nfs/dbraw/zinc/58/36/21/890583621.db2.gz NXPTZOGBTPKGJH-WAYWQWQTSA-N -1 3 392.677 3.589 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000871077778 890636150 /nfs/dbraw/zinc/63/61/50/890636150.db2.gz ZNKSMHGHXYZNCN-QGZVFWFLSA-N -1 3 390.487 3.601 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[N-]OCCCC(F)(F)F ZINC000871214164 890698475 /nfs/dbraw/zinc/69/84/75/890698475.db2.gz IWZUNVNSWTYYIZ-UHFFFAOYSA-N -1 3 376.375 3.966 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCC1 ZINC000126860554 890788730 /nfs/dbraw/zinc/78/87/30/890788730.db2.gz DMQFOGXYLRLIIL-UHFFFAOYSA-N -1 3 376.881 3.686 20 0 GHADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001184855780 913491609 /nfs/dbraw/zinc/49/16/09/913491609.db2.gz XDMPFOUUWDTKJY-UHFFFAOYSA-N -1 3 388.514 3.648 20 0 GHADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000127144418 890916630 /nfs/dbraw/zinc/91/66/30/890916630.db2.gz 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ZINC000068272082 891174097 /nfs/dbraw/zinc/17/40/97/891174097.db2.gz KFRLEDRBELFOFE-UHFFFAOYSA-N -1 3 377.231 3.643 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(C)C ZINC000872353134 891245044 /nfs/dbraw/zinc/24/50/44/891245044.db2.gz WLZOKHYOJRPZAY-VWLOTQADSA-N -1 3 395.546 3.888 20 0 GHADHM CCc1cccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c1[O-] ZINC000127948839 891330149 /nfs/dbraw/zinc/33/01/49/891330149.db2.gz CHLZPICSZRANJZ-UHFFFAOYSA-N -1 3 384.476 3.689 20 0 GHADHM COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1ccc([O-])c(F)c1F ZINC001212016544 891343647 /nfs/dbraw/zinc/34/36/47/891343647.db2.gz VLLGUGKPRSYSMU-UHFFFAOYSA-N -1 3 375.375 3.579 20 0 GHADHM COC1([C@@H](OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C2CCCCC2)CCC1 ZINC000813181926 891347465 /nfs/dbraw/zinc/34/74/65/891347465.db2.gz YQAULGSHNDWTAJ-SFHVURJKSA-N -1 3 395.521 3.733 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)o1 ZINC001212050173 891430608 /nfs/dbraw/zinc/43/06/08/891430608.db2.gz GNTYYUWFXAUBDO-UHFFFAOYSA-N -1 3 391.518 3.846 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000128173070 891462583 /nfs/dbraw/zinc/46/25/83/891462583.db2.gz BCNLXIHRAIZPAT-UHFFFAOYSA-N -1 3 382.313 3.929 20 0 GHADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000497406371 891521082 /nfs/dbraw/zinc/52/10/82/891521082.db2.gz FSGVZMXSHWWJEX-LLVKDONJSA-N -1 3 391.386 3.763 20 0 GHADHM CCSCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000067626490 891547657 /nfs/dbraw/zinc/54/76/57/891547657.db2.gz GEOXYWMOVNGOSF-UHFFFAOYSA-N -1 3 383.466 3.536 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(Cc3ccccc3Cl)s2)o1 ZINC000497564304 891874576 /nfs/dbraw/zinc/87/45/76/891874576.db2.gz QLOFHEZEBJIFOP-UHFFFAOYSA-N -1 3 396.877 3.636 20 0 GHADHM O=C(Cc1csc(Cc2ccc(F)cc2)n1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497577680 891890980 /nfs/dbraw/zinc/89/09/80/891890980.db2.gz HGHOECWUPKQIGH-UHFFFAOYSA-N -1 3 392.459 3.866 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2)c1 ZINC000542608583 892069759 /nfs/dbraw/zinc/06/97/59/892069759.db2.gz IDYXTIBGXZFXPB-UHFFFAOYSA-N -1 3 379.416 3.606 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc(C3(N)CCCC3)no2)cc1 ZINC000261836991 892137144 /nfs/dbraw/zinc/13/71/44/892137144.db2.gz RPTYRUKMEPPBMO-UHFFFAOYSA-N -1 3 398.488 3.574 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2cc(I)ccc2[O-])CCO1 ZINC000611659621 892292923 /nfs/dbraw/zinc/29/29/23/892292923.db2.gz RLYBWJGDDJRUBM-PWSUYJOCSA-N -1 3 389.233 3.531 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2cscc2Br)[nH][n-]1 ZINC000497731909 892314781 /nfs/dbraw/zinc/31/47/81/892314781.db2.gz FHCMENHHJKSVST-UHFFFAOYSA-N -1 3 376.279 3.812 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NC3CCC3)cc2)cc1 ZINC000814189132 892384549 /nfs/dbraw/zinc/38/45/49/892384549.db2.gz HTPIPNCHIAVEDK-UHFFFAOYSA-N -1 3 375.519 3.635 20 0 GHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000263090393 892428960 /nfs/dbraw/zinc/42/89/60/892428960.db2.gz AFOWCZKLXIGBJT-WCQYABFASA-N -1 3 379.254 3.647 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc2oc3ccccc3c2c1 ZINC000917738908 892452703 /nfs/dbraw/zinc/45/27/03/892452703.db2.gz OESVGHXCRTUIHG-UHFFFAOYSA-N -1 3 390.424 3.968 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000263397027 892548263 /nfs/dbraw/zinc/54/82/63/892548263.db2.gz ZNFWLRNABNJSKH-MNEFBYGVSA-N -1 3 377.444 3.869 20 0 GHADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497874450 892599185 /nfs/dbraw/zinc/59/91/85/892599185.db2.gz INYCINUMQBVOTB-GFCCVEGCSA-N -1 3 386.249 3.667 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)cc1 ZINC001185123430 913679895 /nfs/dbraw/zinc/67/98/95/913679895.db2.gz KMPAHEQDIYPSLO-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4c(C(C)C)nn(C)c4s3)nc21 ZINC000162522450 892646862 /nfs/dbraw/zinc/64/68/62/892646862.db2.gz AKGKFYXSSMTCDJ-UHFFFAOYSA-N -1 3 397.460 3.673 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000497962331 892851147 /nfs/dbraw/zinc/85/11/47/892851147.db2.gz ZTWOMSGEWHGEHF-UHFFFAOYSA-N -1 3 391.489 3.692 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)c(Cl)ccc3F)c(=O)[n-]1 ZINC000876179252 893005039 /nfs/dbraw/zinc/00/50/39/893005039.db2.gz AWNBOHUYVGLOEA-UHFFFAOYSA-N -1 3 380.832 3.773 20 0 GHADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000615124170 893051196 /nfs/dbraw/zinc/05/11/96/893051196.db2.gz SQBFPUMTGCFVIH-UHFFFAOYSA-N -1 3 389.463 3.841 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(F)F)ccc2C)cc1 ZINC000814723024 893127183 /nfs/dbraw/zinc/12/71/83/893127183.db2.gz UUIGOCQFRSUQOZ-UHFFFAOYSA-N -1 3 398.431 3.788 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC(F)F)cc3F)nc21 ZINC001134755636 893291741 /nfs/dbraw/zinc/29/17/41/893291741.db2.gz SARVALOJIYTYGE-UHFFFAOYSA-N -1 3 393.321 3.732 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccccc1OCc1ccccc1 ZINC000498109877 893300506 /nfs/dbraw/zinc/30/05/06/893300506.db2.gz IVYBFSFCZUNQDF-CQSZACIVSA-N -1 3 386.473 3.910 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CC(=O)c1ccccc1 ZINC000533883728 893377832 /nfs/dbraw/zinc/37/78/32/893377832.db2.gz AEAQMOPCKUVVJF-LBPRGKRZSA-N -1 3 375.421 3.820 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)s1 ZINC000563167449 893426126 /nfs/dbraw/zinc/42/61/26/893426126.db2.gz ZQHKGOKYIGDIPK-UHFFFAOYSA-N -1 3 392.435 3.861 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459397047 893458125 /nfs/dbraw/zinc/45/81/25/893458125.db2.gz WJKROCSAVRUBHO-CYBMUJFWSA-N -1 3 391.309 3.973 20 0 GHADHM O=c1cc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nc(C2CC2)[n-]1 ZINC000459422280 893502531 /nfs/dbraw/zinc/50/25/31/893502531.db2.gz ZEOXTUDEUJHDNX-INIZCTEOSA-N -1 3 379.382 3.652 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[n-]1 ZINC000815196359 893545106 /nfs/dbraw/zinc/54/51/06/893545106.db2.gz OUZPSWCTEFBQRD-AWEZNQCLSA-N -1 3 391.427 3.545 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459475230 893618995 /nfs/dbraw/zinc/61/89/95/893618995.db2.gz ZKBWVANVUOBGCT-UHFFFAOYSA-N -1 3 391.309 3.927 20 0 GHADHM CC(C)COC(=O)N1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000126695981 893796317 /nfs/dbraw/zinc/79/63/17/893796317.db2.gz IWONFVRSGOHLOW-UHFFFAOYSA-N -1 3 399.285 3.598 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)c(=O)[n-]1 ZINC000536819264 893887407 /nfs/dbraw/zinc/88/74/07/893887407.db2.gz CFMIGCBJRPSCTR-SNVBAGLBSA-N -1 3 380.275 3.794 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)Cc1cccc2ccccc21 ZINC000556137582 893919049 /nfs/dbraw/zinc/91/90/49/893919049.db2.gz UTGNXAYWBKQMEO-MRXNPFEDSA-N -1 3 397.858 3.961 20 0 GHADHM CC(C)C[C@H](N)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000563625164 893986614 /nfs/dbraw/zinc/98/66/14/893986614.db2.gz VKRFSWSTXYTYKY-KRWDZBQOSA-N -1 3 386.477 3.583 20 0 GHADHM [O-]c1ccccc1-c1nnc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)o1 ZINC000878220107 894103017 /nfs/dbraw/zinc/10/30/17/894103017.db2.gz VQEUOQBCISNOPT-UHFFFAOYSA-N -1 3 393.443 3.773 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)Oc3ccc(C)cc3)nc(=O)c2c1C ZINC000022618521 894174094 /nfs/dbraw/zinc/17/40/94/894174094.db2.gz PFLGQGSZJHFIPE-OLZOCXBDSA-N -1 3 386.473 3.982 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1Oc1ccccc1 ZINC000878358992 894223072 /nfs/dbraw/zinc/22/30/72/894223072.db2.gz ACWJSDCEWSJCGC-OAHLLOKOSA-N -1 3 377.444 3.898 20 0 GHADHM COc1cccc(CC2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)c1 ZINC000878403242 894263303 /nfs/dbraw/zinc/26/33/03/894263303.db2.gz YNXVCPDEUFVIQA-UHFFFAOYSA-N -1 3 379.460 3.906 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)COc3ccc(Cl)c(F)c3)c2)n1 ZINC000815961235 894338124 /nfs/dbraw/zinc/33/81/24/894338124.db2.gz ILJCTUGNICAWIA-UHFFFAOYSA-N -1 3 388.782 3.935 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1F ZINC000537184017 894538503 /nfs/dbraw/zinc/53/85/03/894538503.db2.gz XCHYACHUYOGMOF-BBRMVZONSA-N -1 3 391.798 3.566 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC2(F)F)cc1 ZINC000460007174 894545194 /nfs/dbraw/zinc/54/51/94/894545194.db2.gz HKIFBQXAZBNYSB-OAHLLOKOSA-N -1 3 380.416 3.698 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](CO)c3cccc(C(F)(F)F)c3)cc(=O)oc12 ZINC000879116632 894846228 /nfs/dbraw/zinc/84/62/28/894846228.db2.gz WXZYOAISGFVKPF-MRXNPFEDSA-N -1 3 393.361 3.649 20 0 GHADHM O=C(c1cccc2ccccc21)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000816487864 894855110 /nfs/dbraw/zinc/85/51/10/894855110.db2.gz AHVDEDVNZSVHOF-UHFFFAOYSA-N -1 3 382.410 3.782 20 0 GHADHM CCN1CCN(Cc2ccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)cc2)CC1 ZINC000816869343 895143155 /nfs/dbraw/zinc/14/31/55/895143155.db2.gz OAEHTRLFFJKWCO-UHFFFAOYSA-N -1 3 396.516 3.506 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(Br)sc2C)c(Cl)n1 ZINC000760326001 895177669 /nfs/dbraw/zinc/17/76/69/895177669.db2.gz XNRZRKNVRIFEMF-UHFFFAOYSA-N -1 3 397.703 3.677 20 0 GHADHM COC(=O)[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826118296 895187121 /nfs/dbraw/zinc/18/71/21/895187121.db2.gz ZQGQDYCRQNEAAV-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000826118296 895187134 /nfs/dbraw/zinc/18/71/34/895187134.db2.gz ZQGQDYCRQNEAAV-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM Cc1cc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)ccn1 ZINC000564756991 895229202 /nfs/dbraw/zinc/22/92/02/895229202.db2.gz NRULHHBJCHUKPS-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000565201809 895456554 /nfs/dbraw/zinc/45/65/54/895456554.db2.gz XITFISFMEZKWNN-UHFFFAOYSA-N -1 3 383.231 3.904 20 0 GHADHM CC1(C)CN(C(=O)C2CN(C(=O)c3ccccc3[O-])C2)c2cc(C3CC3)ccc21 ZINC000565253449 895479203 /nfs/dbraw/zinc/47/92/03/895479203.db2.gz GBDFCWQEOWHTMY-UHFFFAOYSA-N -1 3 390.483 3.666 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000817390588 895569354 /nfs/dbraw/zinc/56/93/54/895569354.db2.gz OZYFPQLGEOYTFD-SFHVURJKSA-N -1 3 391.537 3.689 20 0 GHADHM CCOCCCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001185616445 913993014 /nfs/dbraw/zinc/99/30/14/913993014.db2.gz ZRTUTKLXVGXMFO-UHFFFAOYSA-N -1 3 384.723 3.506 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H]4CC[C@H]3c3ccccc34)nc(=O)c2c1C ZINC000880537945 895743115 /nfs/dbraw/zinc/74/31/15/895743115.db2.gz HMQZCDAJOUQZCY-WFASDCNBSA-N -1 3 395.484 3.514 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCC(C)(C)C)cs2)c1 ZINC000565689711 895811176 /nfs/dbraw/zinc/81/11/76/895811176.db2.gz JBARZVVYTIRBLJ-UHFFFAOYSA-N -1 3 375.494 3.504 20 0 GHADHM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000566078753 896094228 /nfs/dbraw/zinc/09/42/28/896094228.db2.gz VGTVCQBXIUTHQE-FQEVSTJZSA-N -1 3 393.443 3.809 20 0 GHADHM O=S(=O)([N-]CC1CC(F)(F)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645723705 914038925 /nfs/dbraw/zinc/03/89/25/914038925.db2.gz RNCKLSZNVXBSKK-UHFFFAOYSA-N -1 3 379.734 3.562 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000818787700 896241827 /nfs/dbraw/zinc/24/18/27/896241827.db2.gz JCCOFSYIJFYBRD-UHFFFAOYSA-N -1 3 388.489 3.510 20 0 GHADHM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000818810009 896243962 /nfs/dbraw/zinc/24/39/62/896243962.db2.gz ZVIPBGDWQWLGDN-UHFFFAOYSA-N -1 3 396.871 3.505 20 0 GHADHM CN(CCOc1cc(Cl)ccc1Cl)Cc1ccc(OCC(=O)[O-])cc1 ZINC000566367447 896259815 /nfs/dbraw/zinc/25/98/15/896259815.db2.gz DXOOAFFVUJFIEL-UHFFFAOYSA-N -1 3 384.259 3.968 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(F)F ZINC000645794376 914067978 /nfs/dbraw/zinc/06/79/78/914067978.db2.gz BIKZIELPJIGELK-SSDOTTSWSA-N -1 3 376.650 3.672 20 0 GHADHM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000129218558 896506398 /nfs/dbraw/zinc/50/63/98/896506398.db2.gz XIJONWXEVHAAJO-UHFFFAOYSA-N -1 3 399.903 3.987 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000566761372 896548090 /nfs/dbraw/zinc/54/80/90/896548090.db2.gz CWPUROPWDROHDH-UHFFFAOYSA-N -1 3 383.492 3.532 20 0 GHADHM O=c1cc(CSCc2nc(-c3ccc(F)c(F)c3)no2)nc(C2CC2)[n-]1 ZINC000566845885 896629689 /nfs/dbraw/zinc/62/96/89/896629689.db2.gz FBNCGGMVNWVRGB-UHFFFAOYSA-N -1 3 376.388 3.821 20 0 GHADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882194020 896701577 /nfs/dbraw/zinc/70/15/77/896701577.db2.gz QFWKPAZNDNWOPI-UHFFFAOYSA-N -1 3 397.806 3.572 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000826250300 896710763 /nfs/dbraw/zinc/71/07/63/896710763.db2.gz UPBCDUMYANDYRO-UHFFFAOYSA-N -1 3 387.390 3.883 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000826250300 896710767 /nfs/dbraw/zinc/71/07/67/896710767.db2.gz UPBCDUMYANDYRO-UHFFFAOYSA-N -1 3 387.390 3.883 20 0 GHADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c(C)s1 ZINC000826260453 896748075 /nfs/dbraw/zinc/74/80/75/896748075.db2.gz OIFZSELGGHDECU-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c(C)s1 ZINC000826260453 896748092 /nfs/dbraw/zinc/74/80/92/896748092.db2.gz OIFZSELGGHDECU-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000826271656 896826335 /nfs/dbraw/zinc/82/63/35/896826335.db2.gz AWTUYIKWVGSCOY-GOEBONIOSA-N -1 3 393.447 3.721 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000826271656 896826344 /nfs/dbraw/zinc/82/63/44/896826344.db2.gz AWTUYIKWVGSCOY-GOEBONIOSA-N -1 3 393.447 3.721 20 0 GHADHM Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000826286771 896911170 /nfs/dbraw/zinc/91/11/70/896911170.db2.gz PNHGUHYOWHSEFH-INIZCTEOSA-N -1 3 398.470 3.657 20 0 GHADHM Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000826286771 896911187 /nfs/dbraw/zinc/91/11/87/896911187.db2.gz PNHGUHYOWHSEFH-INIZCTEOSA-N -1 3 398.470 3.657 20 0 GHADHM COC[C@@H](Cc1ccccc1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001137180594 896923769 /nfs/dbraw/zinc/92/37/69/896923769.db2.gz KARXFZFFMPFHKW-OAQYLSRUSA-N -1 3 375.468 3.971 20 0 GHADHM Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000819753366 896981446 /nfs/dbraw/zinc/98/14/46/896981446.db2.gz HJJVFEZCDFUGAX-INIZCTEOSA-N -1 3 388.508 3.952 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820076150 897139449 /nfs/dbraw/zinc/13/94/49/897139449.db2.gz CSMNGLDGAJLDPJ-UHFFFAOYSA-N -1 3 380.452 3.613 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820076150 897139458 /nfs/dbraw/zinc/13/94/58/897139458.db2.gz CSMNGLDGAJLDPJ-UHFFFAOYSA-N -1 3 380.452 3.613 20 0 GHADHM Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826295765 897166941 /nfs/dbraw/zinc/16/69/41/897166941.db2.gz WYPYAUXDZSJYIQ-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826295765 897166950 /nfs/dbraw/zinc/16/69/50/897166950.db2.gz WYPYAUXDZSJYIQ-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000820116798 897169921 /nfs/dbraw/zinc/16/99/21/897169921.db2.gz NVSIXNOLNRZTGQ-MOPGFXCFSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000820116798 897169927 /nfs/dbraw/zinc/16/99/27/897169927.db2.gz NVSIXNOLNRZTGQ-MOPGFXCFSA-N -1 3 382.512 3.756 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ncoc3C3CC3)cc2)cc1 ZINC000567489504 897198180 /nfs/dbraw/zinc/19/81/80/897198180.db2.gz CIIPQKPGNAUKPK-UHFFFAOYSA-N -1 3 397.456 3.914 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000820212741 897210678 /nfs/dbraw/zinc/21/06/78/897210678.db2.gz BOGDZXKYKVPPNC-HXUWFJFHSA-N -1 3 399.406 3.975 20 0 GHADHM CC(C)(C)c1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)nc(C(=O)[O-])n1 ZINC000567616755 897294062 /nfs/dbraw/zinc/29/40/62/897294062.db2.gz MVYAPCXAMYARKL-UHFFFAOYSA-N -1 3 382.508 3.573 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820564043 897396752 /nfs/dbraw/zinc/39/67/52/897396752.db2.gz XUUROWJBHXXRDM-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820564043 897396761 /nfs/dbraw/zinc/39/67/61/897396761.db2.gz XUUROWJBHXXRDM-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM O=C([N-]CCCOC(=O)C1(Sc2ccccc2)CCCC1)C(F)(F)F ZINC000774950927 914159720 /nfs/dbraw/zinc/15/97/20/914159720.db2.gz QUXNFORVGNXZKL-UHFFFAOYSA-N -1 3 375.412 3.703 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820989649 897656022 /nfs/dbraw/zinc/65/60/22/897656022.db2.gz YAANHUQEXWOWES-HNAYVOBHSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820989649 897656032 /nfs/dbraw/zinc/65/60/32/897656032.db2.gz YAANHUQEXWOWES-HNAYVOBHSA-N -1 3 376.464 3.914 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)n1 ZINC000568287452 897715198 /nfs/dbraw/zinc/71/51/98/897715198.db2.gz WQCYFDZVZVJBBQ-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@@H](OC(C)C)c2ccccc2)c1 ZINC000821186979 897752995 /nfs/dbraw/zinc/75/29/95/897752995.db2.gz XCDNCUDRMHMNRP-BCHFMIIMSA-N -1 3 376.474 3.512 20 0 GHADHM O=C(Nc1ccc(C(=O)C2CCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000568345665 897763670 /nfs/dbraw/zinc/76/36/70/897763670.db2.gz OQPFTGIQZWBLOM-IBGZPJMESA-N -1 3 392.455 3.618 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCc2[nH]c3ccccc3c2C1 ZINC000028752532 897884027 /nfs/dbraw/zinc/88/40/27/897884027.db2.gz ADDLPGQYVYBXNC-UHFFFAOYSA-N -1 3 392.242 3.545 20 0 GHADHM C[C@@H](NC(=O)CCCCCCCNC(=O)c1ccccc1[O-])c1ccncc1 ZINC001185929625 914208795 /nfs/dbraw/zinc/20/87/95/914208795.db2.gz IVBLENHCYLTYHU-QGZVFWFLSA-N -1 3 383.492 3.735 20 0 GHADHM C=C/C=C/CCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000883830467 898011195 /nfs/dbraw/zinc/01/11/95/898011195.db2.gz LUVDLEKHJIYLEX-RDFMZFSFSA-N -1 3 381.398 3.501 20 0 GHADHM COc1ccc(CNc2cccc(NC(=O)OCC(C)C)c2)cc1-c1nnn[n-]1 ZINC000821824948 898084057 /nfs/dbraw/zinc/08/40/57/898084057.db2.gz REKZTZCLSLHHBR-UHFFFAOYSA-N -1 3 396.451 3.692 20 0 GHADHM COc1ccc(CNc2cccc(NC(=O)OCC(C)C)c2)cc1-c1nn[n-]n1 ZINC000821824948 898084071 /nfs/dbraw/zinc/08/40/71/898084071.db2.gz REKZTZCLSLHHBR-UHFFFAOYSA-N -1 3 396.451 3.692 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCCc3cccnc32)[nH][n-]1 ZINC000568834092 898146440 /nfs/dbraw/zinc/14/64/40/898146440.db2.gz YOAMMUACWXMZRB-AWEZNQCLSA-N -1 3 382.851 3.614 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000133145739 898160479 /nfs/dbraw/zinc/16/04/79/898160479.db2.gz SCZKCTZTYAHWHL-OAQYLSRUSA-N -1 3 391.398 3.916 20 0 GHADHM CCc1ccccc1C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001170974547 898171226 /nfs/dbraw/zinc/17/12/26/898171226.db2.gz NMEXMPGJIFUQIK-UHFFFAOYSA-N -1 3 378.432 3.794 20 0 GHADHM FC(F)Oc1ccccc1[C@@H](NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826370117 898245660 /nfs/dbraw/zinc/24/56/60/898245660.db2.gz DZWMLMNSODKBSD-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826370117 898245677 /nfs/dbraw/zinc/24/56/77/898245677.db2.gz DZWMLMNSODKBSD-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822211739 898267715 /nfs/dbraw/zinc/26/77/15/898267715.db2.gz MNFGKLZXECCSKL-RUYXUALKSA-N -1 3 389.459 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822211739 898267745 /nfs/dbraw/zinc/26/77/45/898267745.db2.gz MNFGKLZXECCSKL-RUYXUALKSA-N -1 3 389.459 3.739 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000822419131 898361499 /nfs/dbraw/zinc/36/14/99/898361499.db2.gz MPGJUWSYFGLSEM-UHFFFAOYSA-N -1 3 391.435 3.639 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000822419131 898361508 /nfs/dbraw/zinc/36/15/08/898361508.db2.gz MPGJUWSYFGLSEM-UHFFFAOYSA-N -1 3 391.435 3.639 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]3C)ccc2C)cc1 ZINC000569160111 898379382 /nfs/dbraw/zinc/37/93/82/898379382.db2.gz AKGXLNBQQNCSLZ-CABCVRRESA-N -1 3 388.489 3.789 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000826372117 898402412 /nfs/dbraw/zinc/40/24/12/898402412.db2.gz INXHRVGFJZRYAT-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM FC(F)COc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000822732548 898596582 /nfs/dbraw/zinc/59/65/82/898596582.db2.gz JOXWDYQBFWTSNL-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM FC(F)COc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000822732548 898596594 /nfs/dbraw/zinc/59/65/94/898596594.db2.gz JOXWDYQBFWTSNL-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM O=C(CNc1ccccc1C(F)(F)F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823013982 898769802 /nfs/dbraw/zinc/76/98/02/898769802.db2.gz DZEJOYCJPXZCPD-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM O=C(CNc1ccccc1C(F)(F)F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823013982 898769810 /nfs/dbraw/zinc/76/98/10/898769810.db2.gz DZEJOYCJPXZCPD-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM COC(=O)CCc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001136701708 898965238 /nfs/dbraw/zinc/96/52/38/898965238.db2.gz KGFZCDYYNKFRTA-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM Cc1cc(Br)c(CN(CCC(=O)[O-])C2CCOCC2)cc1Cl ZINC000569971710 899050606 /nfs/dbraw/zinc/05/06/06/899050606.db2.gz KAZWLYWDMQEMAE-UHFFFAOYSA-N -1 3 390.705 3.867 20 0 GHADHM O=[S@](Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1)c1ccccc1 ZINC000823613914 899133699 /nfs/dbraw/zinc/13/36/99/899133699.db2.gz LYNGJYLMIACEJK-HHHXNRCGSA-N -1 3 395.513 3.848 20 0 GHADHM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000289750721 914329112 /nfs/dbraw/zinc/32/91/12/914329112.db2.gz JLRBLUQOEBBTFL-UHFFFAOYSA-N -1 3 376.815 3.676 20 0 GHADHM C(=C\[C@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)\c1ccccc1 ZINC000823861330 899284186 /nfs/dbraw/zinc/28/41/86/899284186.db2.gz DTQWCOSHFSWFBO-FSENSJEKSA-N -1 3 399.458 3.595 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc1 ZINC000116711361 899303271 /nfs/dbraw/zinc/30/32/71/899303271.db2.gz PCGJHKWRUOQYTN-AWEZNQCLSA-N -1 3 395.546 3.854 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c1cccc2Br ZINC000331999098 899329011 /nfs/dbraw/zinc/32/90/11/899329011.db2.gz QNEALXKKORTJDC-UHFFFAOYSA-N -1 3 390.281 3.754 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000570506982 899350627 /nfs/dbraw/zinc/35/06/27/899350627.db2.gz ARQILWCPESKJNG-IBGZPJMESA-N -1 3 392.503 3.779 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000824114656 899416087 /nfs/dbraw/zinc/41/60/87/899416087.db2.gz ZKIHXOABKLCFRV-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000824114656 899416095 /nfs/dbraw/zinc/41/60/95/899416095.db2.gz ZKIHXOABKLCFRV-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000824293152 899505013 /nfs/dbraw/zinc/50/50/13/899505013.db2.gz GLHHCPGLVVEGDJ-UHFFFAOYSA-N -1 3 391.479 3.583 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000824293152 899505018 /nfs/dbraw/zinc/50/50/18/899505018.db2.gz GLHHCPGLVVEGDJ-UHFFFAOYSA-N -1 3 391.479 3.583 20 0 GHADHM Cc1csc([C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C2CC2)n1 ZINC000119255237 899571563 /nfs/dbraw/zinc/57/15/63/899571563.db2.gz IUQIXOUJPOBBQU-AWEZNQCLSA-N -1 3 396.310 3.870 20 0 GHADHM C[C@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480101 899624415 /nfs/dbraw/zinc/62/44/15/899624415.db2.gz SXHPNECEAUWLRF-MZTACXPWSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480101 899624420 /nfs/dbraw/zinc/62/44/20/899624420.db2.gz SXHPNECEAUWLRF-MZTACXPWSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)N1C2CCC1CC2)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490470 899635293 /nfs/dbraw/zinc/63/52/93/899635293.db2.gz PYIYDHMXPICSJM-JAGHRAMZSA-N -1 3 388.475 3.931 20 0 GHADHM C[C@H](NC(=O)N1C2CCC1CC2)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490470 899635298 /nfs/dbraw/zinc/63/52/98/899635298.db2.gz PYIYDHMXPICSJM-JAGHRAMZSA-N -1 3 388.475 3.931 20 0 GHADHM C[C@@H](OC(=O)CCCCC(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714622 899782715 /nfs/dbraw/zinc/78/27/15/899782715.db2.gz OSGJIMATVLYAAA-OAHLLOKOSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@@H](OC(=O)CCCCC(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714622 899782725 /nfs/dbraw/zinc/78/27/25/899782725.db2.gz OSGJIMATVLYAAA-OAHLLOKOSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@H](OCC1CC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824728400 899790509 /nfs/dbraw/zinc/79/05/09/899790509.db2.gz FYOKATBBLXEJNC-GJZGRUSLSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@H](OCC1CC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824728400 899790523 /nfs/dbraw/zinc/79/05/23/899790523.db2.gz FYOKATBBLXEJNC-GJZGRUSLSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000824754649 899807970 /nfs/dbraw/zinc/80/79/70/899807970.db2.gz IYFIWSNIDGXDSL-LLVKDONJSA-N -1 3 383.868 3.954 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000824754649 899807973 /nfs/dbraw/zinc/80/79/73/899807973.db2.gz IYFIWSNIDGXDSL-LLVKDONJSA-N -1 3 383.868 3.954 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1scnc1C1CCCC1 ZINC000333076006 899942341 /nfs/dbraw/zinc/94/23/41/899942341.db2.gz PLZHCNVFEFNXKK-UHFFFAOYSA-N -1 3 399.516 3.541 20 0 GHADHM CO[C@@H](CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccc(F)cc1 ZINC001136982305 899955441 /nfs/dbraw/zinc/95/54/41/899955441.db2.gz KHEFUIJYEZKEKF-ZDUSSCGKSA-N -1 3 395.456 3.747 20 0 GHADHM COc1ccc(NC(=O)Nc2ccc([O-])c(I)c2)c(C)c1 ZINC001202726090 899984487 /nfs/dbraw/zinc/98/44/87/899984487.db2.gz UIIFONDILZTWGV-UHFFFAOYSA-N -1 3 398.200 3.958 20 0 GHADHM CC[C@@H](SC)C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825160226 900021815 /nfs/dbraw/zinc/02/18/15/900021815.db2.gz YGKBHBKINVEMFL-VMBOVVBDSA-N -1 3 389.525 3.583 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000572143928 900077862 /nfs/dbraw/zinc/07/78/62/900077862.db2.gz DJSTVSHLSUCTLA-UHFFFAOYSA-N -1 3 376.261 3.949 20 0 GHADHM CCOc1ccc(C[C@@H](C)C(=O)OCc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000884550672 900168112 /nfs/dbraw/zinc/16/81/12/900168112.db2.gz IUTUTPDASNBHJJ-CQSZACIVSA-N -1 3 382.416 3.763 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000884588726 900185989 /nfs/dbraw/zinc/18/59/89/900185989.db2.gz LURWGQIAJZQDCK-MORSLUCNSA-N -1 3 382.803 3.725 20 0 GHADHM C[C@](O)(C1CCN(Cc2cccc([O-])c2Br)CC1)C(F)(F)F ZINC000572580042 900227225 /nfs/dbraw/zinc/22/72/25/900227225.db2.gz JLDJHRBAZQQDNL-AWEZNQCLSA-N -1 3 382.220 3.680 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N[C@@H]1CCCc2ccccc21 ZINC000826421106 900228753 /nfs/dbraw/zinc/22/87/53/900228753.db2.gz SAUPCCSIYMKRFD-OAHLLOKOSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N[C@@H]1CCCc2ccccc21 ZINC000826421106 900228763 /nfs/dbraw/zinc/22/87/63/900228763.db2.gz SAUPCCSIYMKRFD-OAHLLOKOSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143649180 900284616 /nfs/dbraw/zinc/28/46/16/900284616.db2.gz PSUQEXUHDABMDH-CYBMUJFWSA-N -1 3 390.155 3.846 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843891014 900294495 /nfs/dbraw/zinc/29/44/95/900294495.db2.gz WTCFHDICWKTQRC-LRDDRELGSA-N -1 3 378.469 3.719 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843891016 900294934 /nfs/dbraw/zinc/29/49/34/900294934.db2.gz WTCFHDICWKTQRC-WBMJQRKESA-N -1 3 378.469 3.719 20 0 GHADHM CCCCc1nc(C)c(CC(=O)OCc2nnc(-c3ccccc3[O-])o2)s1 ZINC000884800171 900295829 /nfs/dbraw/zinc/29/58/29/900295829.db2.gz COGYPENTGIJLAJ-UHFFFAOYSA-N -1 3 387.461 3.836 20 0 GHADHM CC(C)[C@H](Cc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000778833404 900298766 /nfs/dbraw/zinc/29/87/66/900298766.db2.gz KMTXMQVECQLOQH-SFHVURJKSA-N -1 3 379.453 3.621 20 0 GHADHM CC(C)CNC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660682 900383915 /nfs/dbraw/zinc/38/39/15/900383915.db2.gz JTUBSHWRVJLYRF-LLVKDONJSA-N -1 3 391.518 3.811 20 0 GHADHM COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC001186327204 914439841 /nfs/dbraw/zinc/43/98/41/914439841.db2.gz OPNAAQGDJSJUOR-KRWDZBQOSA-N -1 3 386.467 3.667 20 0 GHADHM O=c1[n-]cnc2c1CN(c1nnc(-c3cc(Cl)cc(Cl)c3)s1)CC2 ZINC000573147167 900393495 /nfs/dbraw/zinc/39/34/95/900393495.db2.gz RUWRRBCHZBLVJJ-UHFFFAOYSA-N -1 3 380.260 3.570 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccnc(C2CC2)c1 ZINC000826441063 900424723 /nfs/dbraw/zinc/42/47/23/900424723.db2.gz MIGBMUGADPBQHM-UHFFFAOYSA-N -1 3 396.454 3.736 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccnc(C2CC2)c1 ZINC000826441063 900424731 /nfs/dbraw/zinc/42/47/31/900424731.db2.gz MIGBMUGADPBQHM-UHFFFAOYSA-N -1 3 396.454 3.736 20 0 GHADHM CCCCc1ncc(CN2CCC[C@H](O)[C@@H](C)C2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748059 900473701 /nfs/dbraw/zinc/47/37/01/900473701.db2.gz IOFWJDHTZRQCFV-UWJYYQICSA-N -1 3 399.535 3.565 20 0 GHADHM CCCCN(C(=O)c1nnc2ccccc2c1[O-])[C@H]1CCc2ncsc2C1 ZINC000844102224 900515392 /nfs/dbraw/zinc/51/53/92/900515392.db2.gz JUTQPGIHAKCZNN-ZDUSSCGKSA-N -1 3 382.489 3.592 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CCCC1)c1cccc2n[n-]nc21 ZINC001143788554 900535211 /nfs/dbraw/zinc/53/52/11/900535211.db2.gz ZDPCJPKFQWXVCW-UHFFFAOYSA-N -1 3 385.265 3.920 20 0 GHADHM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc2sccc2c([O-])c1 ZINC001137219320 900594974 /nfs/dbraw/zinc/59/49/74/900594974.db2.gz BIYSSCSFHSRFBK-GOSISDBHSA-N -1 3 394.496 3.570 20 0 GHADHM O=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136310136 900629249 /nfs/dbraw/zinc/62/92/49/900629249.db2.gz GVURAWZUBUMKHG-UHFFFAOYSA-N -1 3 375.428 3.535 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000573777241 900635873 /nfs/dbraw/zinc/63/58/73/900635873.db2.gz HRKWUDAIUVNQNG-UHFFFAOYSA-N -1 3 375.852 3.960 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574821140 901019720 /nfs/dbraw/zinc/01/97/20/901019720.db2.gz YQKULSLIGFGZSC-UHFFFAOYSA-N -1 3 387.745 3.906 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000575032474 901095929 /nfs/dbraw/zinc/09/59/29/901095929.db2.gz PYTIMCSBVJRLDQ-LLVKDONJSA-N -1 3 395.410 3.643 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000575188250 901153727 /nfs/dbraw/zinc/15/37/27/901153727.db2.gz QCJUZPHQROZASZ-RXVVDRJESA-N -1 3 394.515 3.653 20 0 GHADHM c1ccc2cc(Cc3nnc(NCc4ccc(-c5nnn[n-]5)cc4)o3)ccc2c1 ZINC000826524326 901387848 /nfs/dbraw/zinc/38/78/48/901387848.db2.gz QVKRUHUWWZTWBG-UHFFFAOYSA-N -1 3 383.415 3.606 20 0 GHADHM c1ccc2cc(Cc3nnc(NCc4ccc(-c5nn[n-]n5)cc4)o3)ccc2c1 ZINC000826524326 901387856 /nfs/dbraw/zinc/38/78/56/901387856.db2.gz QVKRUHUWWZTWBG-UHFFFAOYSA-N -1 3 383.415 3.606 20 0 GHADHM CC(C)Oc1ccc2nccc(N3CCC([C@@H]4OCC[C@H]4C(=O)[O-])CC3)c2c1 ZINC000575872531 901411964 /nfs/dbraw/zinc/41/19/64/901411964.db2.gz ROOCWMMNASJSQF-UTKZUKDTSA-N -1 3 384.476 3.728 20 0 GHADHM Cc1cc(C(C)(C)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1Br ZINC000575913947 901467639 /nfs/dbraw/zinc/46/76/39/901467639.db2.gz SVWTVPSTMJUCME-HNNXBMFYSA-N -1 3 392.297 3.670 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000121709339 901662042 /nfs/dbraw/zinc/66/20/42/901662042.db2.gz FNCSUPRTMAXOSA-MRXNPFEDSA-N -1 3 381.457 3.938 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1Cl ZINC000047332170 901865076 /nfs/dbraw/zinc/86/50/76/901865076.db2.gz BOZQYDRHTTWAMM-ZETCQYMHSA-N -1 3 382.700 3.728 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000047383609 901952539 /nfs/dbraw/zinc/95/25/39/901952539.db2.gz OOIVMXCQFGMLSH-UHFFFAOYSA-N -1 3 385.489 3.946 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)CCCC1 ZINC000576439857 902024394 /nfs/dbraw/zinc/02/43/94/902024394.db2.gz QXFPEZQITIZQMP-UHFFFAOYSA-N -1 3 377.915 3.537 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)c(F)c1 ZINC001186524041 914614800 /nfs/dbraw/zinc/61/48/00/914614800.db2.gz GDHKUGHNJYSGLH-PBHICJAKSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1ccc(CCCCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290301459 914617651 /nfs/dbraw/zinc/61/76/51/914617651.db2.gz GHUPCWIDENRPSC-QGZVFWFLSA-N -1 3 384.442 3.625 20 0 GHADHM Cc1ncccc1OC[C@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000577165589 902557863 /nfs/dbraw/zinc/55/78/63/902557863.db2.gz NKKKGYGQTXGGEH-OAHLLOKOSA-N -1 3 390.443 3.828 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1sccc1C(=O)[O-])C2 ZINC001144671185 902599932 /nfs/dbraw/zinc/59/99/32/902599932.db2.gz QAFFAAHYOQXCMY-LJQANCHMSA-N -1 3 380.510 3.812 20 0 GHADHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)CCOc1cccc(Cl)c1 ZINC000846233309 902807913 /nfs/dbraw/zinc/80/79/13/902807913.db2.gz GCPDIYGLKGBCSM-YFHOEESVSA-N -1 3 375.852 3.827 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000846240586 902816087 /nfs/dbraw/zinc/81/60/87/902816087.db2.gz NMGYYSGLLBUIJR-KCQSEKJDSA-N -1 3 381.472 3.844 20 0 GHADHM CC1(C)CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000846263013 902834277 /nfs/dbraw/zinc/83/42/77/902834277.db2.gz XEDAJHKBRNENOE-FUYLZDCDSA-N -1 3 385.504 3.833 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC001144887474 903113065 /nfs/dbraw/zinc/11/30/65/903113065.db2.gz DNZZIVXPQCDYAC-CQSZACIVSA-N -1 3 398.297 3.881 20 0 GHADHM COc1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc(OC)c1[O-] ZINC000131939472 903184537 /nfs/dbraw/zinc/18/45/37/903184537.db2.gz PNNAHOZLXIQQCG-UHFFFAOYSA-N -1 3 382.420 3.512 20 0 GHADHM COc1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000264622723 903253187 /nfs/dbraw/zinc/25/31/87/903253187.db2.gz RSPOLYRLNWNJOI-LJQANCHMSA-N -1 3 375.852 3.640 20 0 GHADHM O=c1nc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000264764464 903366297 /nfs/dbraw/zinc/36/62/97/903366297.db2.gz ZSBVFTNXMMANHW-QMTHXVAHSA-N -1 3 399.394 3.545 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001146695424 903586980 /nfs/dbraw/zinc/58/69/80/903586980.db2.gz RNFAZLLKMZNAFL-LJQANCHMSA-N -1 3 398.409 3.704 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](C)N3CCc4ccccc4C3)c12 ZINC000578364734 903769789 /nfs/dbraw/zinc/76/97/89/903769789.db2.gz GGAJLHLPUAAQQQ-LBPRGKRZSA-N -1 3 396.516 3.865 20 0 GHADHM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001147372920 903773273 /nfs/dbraw/zinc/77/32/73/903773273.db2.gz NWCTXJWHNCHESY-CQSZACIVSA-N -1 3 384.819 3.602 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646652092 914751748 /nfs/dbraw/zinc/75/17/48/914751748.db2.gz XVYHMIZHRTXJPP-MRXNPFEDSA-N -1 3 394.349 3.781 20 0 GHADHM CC[C@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000265382651 903855053 /nfs/dbraw/zinc/85/50/53/903855053.db2.gz ZCSTXGNTFLKZTB-AWEZNQCLSA-N -1 3 383.514 3.501 20 0 GHADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000578464948 903866460 /nfs/dbraw/zinc/86/64/60/903866460.db2.gz PDDTZKIGMOUHFS-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2s1 ZINC000887839414 903961181 /nfs/dbraw/zinc/96/11/81/903961181.db2.gz YPUJIYJSCMHXNM-UHFFFAOYSA-N -1 3 389.506 3.700 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1cccc2cccnc21)C(F)(F)F ZINC001171319513 903970310 /nfs/dbraw/zinc/97/03/10/903970310.db2.gz IJJWVNLWHPATSQ-KRWDZBQOSA-N -1 3 385.389 3.845 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cccc2cccnc21)C(F)(F)F ZINC001171319514 903971608 /nfs/dbraw/zinc/97/16/08/903971608.db2.gz IJJWVNLWHPATSQ-QGZVFWFLSA-N -1 3 385.389 3.845 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000887897854 903991371 /nfs/dbraw/zinc/99/13/71/903991371.db2.gz OLIGAHUSTAHRBO-ZDUSSCGKSA-N -1 3 379.382 3.954 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H]1c1ccccc1 ZINC001148190376 904004740 /nfs/dbraw/zinc/00/47/40/904004740.db2.gz BQJWIEGBNBEASR-YVEFUNNKSA-N -1 3 378.881 3.545 20 0 GHADHM COc1nsc(C(=O)[N-]c2ncc(C(C)(C)C)s2)c1Br ZINC001148210836 904007685 /nfs/dbraw/zinc/00/76/85/904007685.db2.gz NLQPVSJXQCTTRU-UHFFFAOYSA-N -1 3 376.301 3.921 20 0 GHADHM COc1cc(CC2CN(C(=O)c3cc4sccc4c([O-])c3)C2)cc(OC)c1 ZINC001148415609 904070767 /nfs/dbraw/zinc/07/07/67/904070767.db2.gz RGODZATXDRDMPF-UHFFFAOYSA-N -1 3 383.469 3.939 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148661613 904161786 /nfs/dbraw/zinc/16/17/86/904161786.db2.gz BUNYLXWUXRCACP-PZJWPPBQSA-N -1 3 395.455 3.546 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148661900 904162411 /nfs/dbraw/zinc/16/24/11/904162411.db2.gz FSXXDAHYOUGINW-WOJBJXKFSA-N -1 3 395.455 3.894 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1csc([C@@H]2CCCO2)n1 ZINC000152204244 904246049 /nfs/dbraw/zinc/24/60/49/904246049.db2.gz LUVRXBLSBQCUKC-LBPRGKRZSA-N -1 3 375.841 3.685 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3[O-])cc2)CC1 ZINC001149005641 904266081 /nfs/dbraw/zinc/26/60/81/904266081.db2.gz PJYGHAPQZXKMNH-UHFFFAOYSA-N 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GHADHM COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C2CCCC2)c(Br)c1[O-] ZINC000630470431 907296772 /nfs/dbraw/zinc/29/67/72/907296772.db2.gz IURKBJGFAGWPQT-ZDUSSCGKSA-N -1 3 386.286 3.534 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCC(C)C)c1 ZINC000183308762 907365656 /nfs/dbraw/zinc/36/56/56/907365656.db2.gz KUQHKOIEIXBFSK-MRXNPFEDSA-N -1 3 385.464 3.982 20 0 GHADHM CCOc1ccc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(F)c1F ZINC001175151633 907380425 /nfs/dbraw/zinc/38/04/25/907380425.db2.gz YVDVTSIUMXABFA-UHFFFAOYSA-N -1 3 383.395 3.544 20 0 GHADHM COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1c(F)ccc([O-])c1F ZINC001175269783 907481932 /nfs/dbraw/zinc/48/19/32/907481932.db2.gz LBUJDNFRZQLRHO-UHFFFAOYSA-N -1 3 375.375 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2C1 ZINC001175430743 907550184 /nfs/dbraw/zinc/55/01/84/907550184.db2.gz WGCYYYMTTNMCGO-UHFFFAOYSA-N -1 3 392.463 3.904 20 0 GHADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(F)c1OCC1CCOCC1 ZINC001175432010 907550484 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CC(C)Oc1c(Cl)cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc1Cl ZINC001176528669 908157269 /nfs/dbraw/zinc/15/72/69/908157269.db2.gz MOSIFDCKRXBDOF-UHFFFAOYSA-N -1 3 391.276 3.869 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858586 908297921 /nfs/dbraw/zinc/29/79/21/908297921.db2.gz DOFJPMCZCPSHOU-JTQLQIEISA-N -1 3 375.881 3.736 20 0 GHADHM CCC1(CC)CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CC1 ZINC000189236201 908299658 /nfs/dbraw/zinc/29/96/58/908299658.db2.gz CDZXNSPGFBVCFB-UHFFFAOYSA-N -1 3 385.464 3.983 20 0 GHADHM CC(C)(C)OC(=O)NCCSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000901611622 921398307 /nfs/dbraw/zinc/39/83/07/921398307.db2.gz QSSSTYKATIMMFH-UHFFFAOYSA-N -1 3 375.450 3.840 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299540403 921426116 /nfs/dbraw/zinc/42/61/16/921426116.db2.gz UGZNWTPHWLFANL-FQEVSTJZSA-N -1 3 388.471 3.597 20 0 GHADHM [O-]c1cccc(CNc2cc(-c3cccs3)nn2CCO)c1Br ZINC001177650855 908702139 /nfs/dbraw/zinc/70/21/39/908702139.db2.gz PEOGELQAMZMSNS-UHFFFAOYSA-N -1 3 394.294 3.684 20 0 GHADHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687938 908709766 /nfs/dbraw/zinc/70/97/66/908709766.db2.gz PQSBOCUTVRBTAM-VIFPVBQESA-N -1 3 394.378 3.858 20 0 GHADHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687938 908709772 /nfs/dbraw/zinc/70/97/72/908709772.db2.gz PQSBOCUTVRBTAM-VIFPVBQESA-N -1 3 394.378 3.858 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001177861015 908780797 /nfs/dbraw/zinc/78/07/97/908780797.db2.gz IYGBNMICVAXLLG-AWEZNQCLSA-N -1 3 380.441 3.667 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1C(C)C ZINC000193447624 908876812 /nfs/dbraw/zinc/87/68/12/908876812.db2.gz WXPFGIKZBQNLHC-RUZDIDTESA-N -1 3 395.546 3.806 20 0 GHADHM COc1cccc([C@@H](C[N-]C(=O)C(F)(F)F)c2c[nH]c3ccccc32)c1OC ZINC000195526892 909016576 /nfs/dbraw/zinc/01/65/76/909016576.db2.gz FAFKOXXYMBRWAO-OAHLLOKOSA-N -1 3 392.377 3.996 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901677758 921462614 /nfs/dbraw/zinc/46/26/14/921462614.db2.gz LYLPWGFTMZXGED-LJQANCHMSA-N -1 3 385.508 3.626 20 0 GHADHM C[C@@]1(C(=O)[O-])CCCN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC000901700628 921494764 /nfs/dbraw/zinc/49/47/64/921494764.db2.gz QFZJAXPIJFDTHT-OAQYLSRUSA-N -1 3 383.423 3.952 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2c(Cl)cccc2Br)n1 ZINC000636111199 909430561 /nfs/dbraw/zinc/43/05/61/909430561.db2.gz HRZMZDBWIPSZJP-UHFFFAOYSA-N -1 3 398.688 3.501 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)cc(C)c2C)n1 ZINC000636111839 909431092 /nfs/dbraw/zinc/43/10/92/909431092.db2.gz MCHBVMUBSIBWMH-UHFFFAOYSA-N -1 3 378.270 3.535 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)n1 ZINC000636113127 909433158 /nfs/dbraw/zinc/43/31/58/909433158.db2.gz UDWCBIRCQJUVTF-OCCSQVGLSA-N -1 3 377.847 3.828 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n1 ZINC000636115880 909437764 /nfs/dbraw/zinc/43/77/64/909437764.db2.gz VXJQYCZOGCQVCJ-OLZOCXBDSA-N -1 3 395.381 3.544 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000636286512 909518810 /nfs/dbraw/zinc/51/88/10/909518810.db2.gz SIJAFDHBDYLJKF-UHFFFAOYSA-N -1 3 379.382 3.621 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321067 909541674 /nfs/dbraw/zinc/54/16/74/909541674.db2.gz ATHOBRRAADEKND-UHFFFAOYSA-N -1 3 398.463 3.951 20 0 GHADHM Cc1cc(Br)c(F)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636322635 909543528 /nfs/dbraw/zinc/54/35/28/909543528.db2.gz HFMLMNZPMYEDMT-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM CCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000901722091 921511413 /nfs/dbraw/zinc/51/14/13/921511413.db2.gz NXAVFZQOAYXYFR-QXFGJRORSA-N -1 3 396.487 3.894 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001179883804 909804455 /nfs/dbraw/zinc/80/44/55/909804455.db2.gz OYVZWZYQZLDUSW-AWEZNQCLSA-N -1 3 393.823 3.637 20 0 GHADHM COc1ccc(C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc2)cc1 ZINC001180013066 909882355 /nfs/dbraw/zinc/88/23/55/909882355.db2.gz YDQKDKRMSDAPJK-OAHLLOKOSA-N -1 3 390.365 3.797 20 0 GHADHM COc1ccc(C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc2)cc1 ZINC001180013066 909882371 /nfs/dbraw/zinc/88/23/71/909882371.db2.gz YDQKDKRMSDAPJK-OAHLLOKOSA-N -1 3 390.365 3.797 20 0 GHADHM COc1ccc(C[C@H](C(=O)Nc2ccccc2-c2nnn[n-]2)c2ccccc2)cc1 ZINC001180014304 909884781 /nfs/dbraw/zinc/88/47/81/909884781.db2.gz GLIMIKFIUIXLPM-FQEVSTJZSA-N -1 3 399.454 3.840 20 0 GHADHM COc1ccc(C[C@H](C(=O)Nc2ccccc2-c2nn[n-]n2)c2ccccc2)cc1 ZINC001180014304 909884786 /nfs/dbraw/zinc/88/47/86/909884786.db2.gz GLIMIKFIUIXLPM-FQEVSTJZSA-N -1 3 399.454 3.840 20 0 GHADHM CCOc1cc(CN(CCc2ccccc2)CC(=O)OC)cc(Cl)c1[O-] ZINC001180338998 910083867 /nfs/dbraw/zinc/08/38/67/910083867.db2.gz LDRKCXGBVCBAFG-UHFFFAOYSA-N -1 3 377.868 3.662 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3C[C@@]3(C)Br)n[n-]2)cc1 ZINC001180844488 910377012 /nfs/dbraw/zinc/37/70/12/910377012.db2.gz UZONENNCASVVPB-XHDPSFHLSA-N -1 3 381.299 3.517 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@](C)(CC(=O)[O-])C(C)C)cs2)cc1 ZINC000901814837 921587998 /nfs/dbraw/zinc/58/79/98/921587998.db2.gz AIYYBDTUMBRUSY-IBGZPJMESA-N -1 3 378.494 3.710 20 0 GHADHM [O-]c1ccc(CNCc2noc(-c3cccc(Br)c3)n2)cc1F ZINC001181338082 910694468 /nfs/dbraw/zinc/69/44/68/910694468.db2.gz ZBGBQOAGNBATRK-UHFFFAOYSA-N -1 3 378.201 3.634 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1c2ccc(Cl)cc2C[C@@H]1C ZINC001181549850 910832684 /nfs/dbraw/zinc/83/26/84/910832684.db2.gz XKAWWABRIXGAQP-LBPRGKRZSA-N -1 3 394.862 3.726 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC=C(c2ccccc2)C1 ZINC000640301921 910960685 /nfs/dbraw/zinc/96/06/85/910960685.db2.gz NLWTWWITKNAJQR-UHFFFAOYSA-N -1 3 384.789 3.842 20 0 GHADHM CCN(C(=O)N=c1[n-]n(C)cc1Br)[C@@H](C)c1cc2ccccc2o1 ZINC000640309451 910964035 /nfs/dbraw/zinc/96/40/35/910964035.db2.gz LUEQHHDTJAICEY-NSHDSACASA-N -1 3 391.269 3.966 20 0 GHADHM CC(C)Cc1ccc(CC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)cc1 ZINC001181819628 911022453 /nfs/dbraw/zinc/02/24/53/911022453.db2.gz ZHVCXSRVBISTHF-UHFFFAOYSA-N -1 3 376.460 3.610 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc(OC)c1[O-] ZINC000273903102 911096010 /nfs/dbraw/zinc/09/60/10/911096010.db2.gz XXXFLKJNBQQKDI-OAHLLOKOSA-N -1 3 387.432 3.660 20 0 GHADHM COc1ccc([C@@H](NCc2cnc3c(cnn3C(C)C)c2)C(=O)[O-])cc1Cl ZINC000901850065 921638454 /nfs/dbraw/zinc/63/84/54/921638454.db2.gz UMHUUOMWAVJAJY-QGZVFWFLSA-N -1 3 388.855 3.590 20 0 GHADHM O=C([O-])c1cnn(C2CCN(Cc3ccc(-c4c(F)cccc4F)o3)CC2)c1 ZINC000901879912 921680532 /nfs/dbraw/zinc/68/05/32/921680532.db2.gz TVDOXCUJIYVHMR-UHFFFAOYSA-N -1 3 387.386 3.957 20 0 GHADHM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(C)[nH]1 ZINC000642162661 911817350 /nfs/dbraw/zinc/81/73/50/911817350.db2.gz JSFZMQPZDSJMBD-UHFFFAOYSA-N -1 3 383.473 3.993 20 0 GHADHM Cc1cc(CC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc(C(F)(F)F)c1 ZINC001182672606 911935703 /nfs/dbraw/zinc/93/57/03/911935703.db2.gz CHTKOAJBLAEDDR-UHFFFAOYSA-N -1 3 377.322 3.549 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OCC(F)(F)F)nc1 ZINC000642323451 911980692 /nfs/dbraw/zinc/98/06/92/911980692.db2.gz PNPHMRPXNPLRIA-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM C[C@H](CNc1ccccc1)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001182920228 912104602 /nfs/dbraw/zinc/10/46/02/912104602.db2.gz XOAXBPUKAQJJIB-GFCCVEGCSA-N -1 3 376.482 3.721 20 0 GHADHM C[C@@H](N[C@H]1CCc2cc(Br)ccc2C1)c1ncc(C(=O)[O-])s1 ZINC000901910831 921726883 /nfs/dbraw/zinc/72/68/83/921726883.db2.gz JDRIBJZHSWTJHO-RNCFNFMXSA-N -1 3 381.295 3.812 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(F)ccc1Br ZINC001186951357 914916288 /nfs/dbraw/zinc/91/62/88/914916288.db2.gz DRQLHOYLFJPPTC-NQBHXWOUSA-N -1 3 376.291 3.835 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)cc2ncccc21)c1ccccc1-c1nnn[n-]1 ZINC001187006723 914935929 /nfs/dbraw/zinc/93/59/29/914935929.db2.gz IAAKYAMBSFEFJP-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)cc2ncccc21)c1ccccc1-c1nn[n-]n1 ZINC001187006723 914935947 /nfs/dbraw/zinc/93/59/47/914935947.db2.gz IAAKYAMBSFEFJP-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187007528 914938228 /nfs/dbraw/zinc/93/82/28/914938228.db2.gz YEJKLEFISALXGO-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187007528 914938234 /nfs/dbraw/zinc/93/82/34/914938234.db2.gz YEJKLEFISALXGO-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)cc1 ZINC001187350351 915215038 /nfs/dbraw/zinc/21/50/38/915215038.db2.gz WSBPTWXBKLPOMM-UHFFFAOYSA-N -1 3 378.432 3.660 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(Cl)c1 ZINC001187431519 915288132 /nfs/dbraw/zinc/28/81/32/915288132.db2.gz ITWMFFDEXHYHFA-UHFFFAOYSA-N -1 3 382.869 3.796 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1)C(F)(F)F ZINC000291667392 915309732 /nfs/dbraw/zinc/30/97/32/915309732.db2.gz VYXDISRSQYNNAB-SNVBAGLBSA-N -1 3 386.386 3.626 20 0 GHADHM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647826813 915399980 /nfs/dbraw/zinc/39/99/80/915399980.db2.gz YRTLRQAKLKCGBP-QGZVFWFLSA-N -1 3 394.450 3.772 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1[n-]nnc1C(F)(F)F ZINC001187758920 915506235 /nfs/dbraw/zinc/50/62/35/915506235.db2.gz NTEXCDYOTPKOOH-UHFFFAOYSA-N -1 3 376.342 3.529 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1nn[n-]c1C(F)(F)F ZINC001187758920 915506249 /nfs/dbraw/zinc/50/62/49/915506249.db2.gz NTEXCDYOTPKOOH-UHFFFAOYSA-N -1 3 376.342 3.529 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccccc1SC[C@@H](O)C(F)(F)F ZINC001187800398 915520572 /nfs/dbraw/zinc/52/05/72/915520572.db2.gz QICHQTPGFYONRO-CQSZACIVSA-N -1 3 375.343 3.799 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1ccc(Cl)nc1Cl ZINC001187981733 915663530 /nfs/dbraw/zinc/66/35/30/915663530.db2.gz LYSSUPQWPRDOTD-UHFFFAOYSA-N -1 3 379.696 3.953 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2c1cccc2Cl)c1ccc(F)cc1C(F)(F)F ZINC001188068929 915733152 /nfs/dbraw/zinc/73/31/52/915733152.db2.gz FBOAYMQNVGPKEV-GFCCVEGCSA-N -1 3 395.761 3.910 20 0 GHADHM O=S(=O)([N-]CCOc1ncc(Cl)cc1Cl)c1cccc(Cl)c1F ZINC001188086572 915745166 /nfs/dbraw/zinc/74/51/66/915745166.db2.gz CLQRATLWJAZSSE-UHFFFAOYSA-N -1 3 399.658 3.538 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)c(F)cc1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188087137 915746757 /nfs/dbraw/zinc/74/67/57/915746757.db2.gz CAMRTNLDDIBICH-UHFFFAOYSA-N -1 3 387.622 3.799 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2F)CC1)c1cnc(Cl)c(Cl)c1 ZINC001188097673 915754043 /nfs/dbraw/zinc/75/40/43/915754043.db2.gz NXHSXFKNQCFLJI-UHFFFAOYSA-N -1 3 375.252 3.581 20 0 GHADHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])[C@H]1c1ccccc1 ZINC000648747377 915855947 /nfs/dbraw/zinc/85/59/47/915855947.db2.gz ITEUKWWNIFYTGN-QUCCMNQESA-N -1 3 378.472 3.607 20 0 GHADHM CCOc1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc(Br)c1OC ZINC000902006501 921807909 /nfs/dbraw/zinc/80/79/09/921807909.db2.gz GBLDVTQJUFLVTK-ZENOOKHLSA-N -1 3 398.297 3.542 20 0 GHADHM Cc1c(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)nnn1-c1ccn(C)n1 ZINC000293015459 915950381 /nfs/dbraw/zinc/95/03/81/915950381.db2.gz HLQMPQUNZNQUMB-UHFFFAOYSA-N -1 3 390.900 3.715 20 0 GHADHM CCCCN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686454 915999087 /nfs/dbraw/zinc/99/90/87/915999087.db2.gz INXFTOQHSFAPMS-UHFFFAOYSA-N -1 3 378.900 3.691 20 0 GHADHM CCCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1CCc2ncsc2C1 ZINC000649162711 916046685 /nfs/dbraw/zinc/04/66/85/916046685.db2.gz XLEDZWIUYYTMSB-HNNXBMFYSA-N -1 3 387.505 3.607 20 0 GHADHM O=C(c1ccc([O-])c(C(F)(F)F)c1)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001188587817 916067625 /nfs/dbraw/zinc/06/76/25/916067625.db2.gz WHLPPGBBJACJBA-UHFFFAOYSA-N -1 3 375.350 3.977 20 0 GHADHM CCCNC(=O)c1ccccc1OC1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC001188648374 916077232 /nfs/dbraw/zinc/07/72/32/916077232.db2.gz HCECHAJLMKKQCJ-UHFFFAOYSA-N -1 3 396.487 3.524 20 0 GHADHM CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)c1c(C)cccc1[O-] ZINC001188649425 916077864 /nfs/dbraw/zinc/07/78/64/916077864.db2.gz ZWACLMDDBKJWNU-NQYLQCIDSA-N -1 3 393.524 3.934 20 0 GHADHM O=C(c1ccncc1[O-])N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001188630109 916090611 /nfs/dbraw/zinc/09/06/11/916090611.db2.gz YKJCZWFHTPSAGH-NRFANRHFSA-N -1 3 387.483 3.704 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(C)C)c1ccc(C)o1 ZINC001188723826 916156309 /nfs/dbraw/zinc/15/63/09/916156309.db2.gz BCUMKQYJROJPBW-HNNXBMFYSA-N -1 3 385.457 3.570 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1C(C)C ZINC001189021161 916347096 /nfs/dbraw/zinc/34/70/96/916347096.db2.gz VQLMYTFGCIFEFH-GOEBONIOSA-N -1 3 381.929 3.620 20 0 GHADHM Cc1ccccc1C(C)(C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000293981143 916510834 /nfs/dbraw/zinc/51/08/34/916510834.db2.gz RNMOBGUMFSWXFP-UHFFFAOYSA-N -1 3 390.487 3.845 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnn(C)c3-c3ccccc3)c2)n1 ZINC000775246113 916625669 /nfs/dbraw/zinc/62/56/69/916625669.db2.gz PVDKDCBEFDDKIW-UHFFFAOYSA-N -1 3 386.411 3.777 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccc(Br)cc1F ZINC001189454381 916659411 /nfs/dbraw/zinc/65/94/11/916659411.db2.gz MSWKNQHHCGNQDE-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Br)ccc1NC(C)=O ZINC000650173178 916776127 /nfs/dbraw/zinc/77/61/27/916776127.db2.gz YYDJATRGVWYPND-GFCCVEGCSA-N -1 3 377.304 3.728 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)sc1Cl ZINC001189655530 916816618 /nfs/dbraw/zinc/81/66/18/916816618.db2.gz IAYNLRGPHIMNQF-ZDUSSCGKSA-N -1 3 393.361 3.945 20 0 GHADHM Cn1ncc2c1nc(S[C@@H](C(=O)Nc1ccccc1)c1ccccc1)[n-]c2=O ZINC001189737585 916894759 /nfs/dbraw/zinc/89/47/59/916894759.db2.gz JLGOWYGZGAWNTR-MRXNPFEDSA-N -1 3 391.456 3.541 20 0 GHADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001189762909 916898748 /nfs/dbraw/zinc/89/87/48/916898748.db2.gz NTEQBWMCUSFRDI-UHFFFAOYSA-N -1 3 379.334 3.692 20 0 GHADHM COC(=O)[C@H]1CCc2cc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])ccc21 ZINC001189766770 916904107 /nfs/dbraw/zinc/90/41/07/916904107.db2.gz QNKUDGHQZUOLIV-ZDUSSCGKSA-N -1 3 395.333 3.746 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(F)c(OCC2CC2)c(F)c1 ZINC001189831960 916955434 /nfs/dbraw/zinc/95/54/34/916955434.db2.gz WTSNSXAEGUBJLF-UHFFFAOYSA-N -1 3 389.370 3.974 20 0 GHADHM CN(C(=O)CN1CCCC[C@H]1CC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000650505009 917041016 /nfs/dbraw/zinc/04/10/16/917041016.db2.gz MWCVCANMZXFLKK-NZQKXSOJSA-N -1 3 398.478 3.703 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189985548 917044607 /nfs/dbraw/zinc/04/46/07/917044607.db2.gz JLIXDCPNOVYGAV-UHFFFAOYSA-N -1 3 376.375 3.707 20 0 GHADHM COc1cc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C(F)(F)C2)c(OC)c1 ZINC001190138017 917122504 /nfs/dbraw/zinc/12/25/04/917122504.db2.gz QIGONJPTAJYHPX-HNNXBMFYSA-N -1 3 377.387 3.674 20 0 GHADHM COc1cccc([C@@H](NC(=O)c2c([O-])cc(OC)cc2OC)c2ccccc2)c1 ZINC001190143446 917126236 /nfs/dbraw/zinc/12/62/36/917126236.db2.gz BCNUMTOPVOLNDG-QFIPXVFZSA-N -1 3 393.439 3.937 20 0 GHADHM Cc1ccccc1-c1cccc(C(=O)Nc2ncc(Br)[n-]c2=O)c1 ZINC001190304555 917233937 /nfs/dbraw/zinc/23/39/37/917233937.db2.gz UITKJWZHJHXSFV-UHFFFAOYSA-N -1 3 384.233 3.760 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c2ccccc12 ZINC001190412998 917320740 /nfs/dbraw/zinc/32/07/40/917320740.db2.gz LENMXMJMTLJMAK-UHFFFAOYSA-N -1 3 381.375 3.744 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnncc2Br)cc1 ZINC001190432182 917335877 /nfs/dbraw/zinc/33/58/77/917335877.db2.gz QZYZIQOLCBATBZ-UHFFFAOYSA-N -1 3 384.299 3.728 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1cccc2ccccc21 ZINC001190525860 917383498 /nfs/dbraw/zinc/38/34/98/917383498.db2.gz YGGNNNHWRSFEEV-OAQYLSRUSA-N -1 3 395.480 3.910 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1c(F)cc(OCC)cc1F ZINC001190587283 917432342 /nfs/dbraw/zinc/43/23/42/917432342.db2.gz WKYKAIHGOCBJLP-UHFFFAOYSA-N -1 3 380.347 3.658 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1c2ncsc2ccc1Cl ZINC001190665132 917454625 /nfs/dbraw/zinc/45/46/25/917454625.db2.gz WEBHFGITCHBWIF-LBPRGKRZSA-N -1 3 380.878 3.621 20 0 GHADHM CN(CCOc1ccccc1C(C)(C)C)C(=O)c1nnc2ccccc2c1[O-] ZINC000796454389 917462271 /nfs/dbraw/zinc/46/22/71/917462271.db2.gz CKELVEQUWZBPBC-UHFFFAOYSA-N -1 3 379.460 3.784 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)nc(Cl)nc2Cl)c1 ZINC001191151325 917786091 /nfs/dbraw/zinc/78/60/91/917786091.db2.gz LWVMFXBEHKNGJS-UHFFFAOYSA-N -1 3 383.260 3.749 20 0 GHADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000363132715 917816580 /nfs/dbraw/zinc/81/65/80/917816580.db2.gz GHRHNXHXMSJAAM-UHFFFAOYSA-N -1 3 377.444 3.670 20 0 GHADHM CCc1nn(C)c(CC)c1CC(=O)Nc1c([O-])ccc(Br)c1C ZINC000296072819 917821582 /nfs/dbraw/zinc/82/15/82/917821582.db2.gz OCKIBOJIYLFHFZ-UHFFFAOYSA-N -1 3 380.286 3.503 20 0 GHADHM C[C@@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000652496994 917912913 /nfs/dbraw/zinc/91/29/13/917912913.db2.gz IBVOVXQFROLVCD-MNEFBYGVSA-N -1 3 377.444 3.869 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001191363656 917965049 /nfs/dbraw/zinc/96/50/49/917965049.db2.gz VMFXJLCFEYICCC-UHFFFAOYSA-N -1 3 393.628 3.846 20 0 GHADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001191476584 918013038 /nfs/dbraw/zinc/01/30/38/918013038.db2.gz RZILVAIKJRQXSH-YVORESIASA-N -1 3 381.501 3.780 20 0 GHADHM COc1ccc(N[C@@H]2CCCc3nc(Cl)ccc32)cc1[N-]S(C)(=O)=O ZINC000296235034 918028411 /nfs/dbraw/zinc/02/84/11/918028411.db2.gz APCKGDMVPQJIIS-CYBMUJFWSA-N -1 3 381.885 3.605 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)c1nc(C(F)(F)F)no1 ZINC001191502049 918055636 /nfs/dbraw/zinc/05/56/36/918055636.db2.gz CZFCAQBWJBHLPI-NSHDSACASA-N -1 3 397.378 3.795 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnc3n2[C@@H](C)CCC3)[nH][n-]1 ZINC000653018953 918087794 /nfs/dbraw/zinc/08/77/94/918087794.db2.gz YJTNFILEJSLOFZ-NSHDSACASA-N -1 3 385.855 3.507 20 0 GHADHM CC(=O)c1ccc(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)cc1[O-] ZINC000653036506 918095869 /nfs/dbraw/zinc/09/58/69/918095869.db2.gz RLEDUDMLEWTMLI-UHFFFAOYSA-N -1 3 396.365 3.596 20 0 GHADHM COc1cc(C)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1OC ZINC001191704063 918129036 /nfs/dbraw/zinc/12/90/36/918129036.db2.gz HBNKGWVDVFOOEZ-UHFFFAOYSA-N -1 3 387.432 3.925 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(CC(=O)OC)ccc1Cl ZINC001191827601 918250466 /nfs/dbraw/zinc/25/04/66/918250466.db2.gz BGBUPCYRLOGGMN-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3cc(F)nc(F)c3Cl)ccc2c1 ZINC001191939523 918309588 /nfs/dbraw/zinc/30/95/88/918309588.db2.gz CFFNOIZFORVIOT-UHFFFAOYSA-N -1 3 384.791 3.976 20 0 GHADHM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(N)=O)c3F)cc2)cc1 ZINC001192085775 918382455 /nfs/dbraw/zinc/38/24/55/918382455.db2.gz YQMIWPGDFLVYDJ-UHFFFAOYSA-N -1 3 384.432 3.701 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Oc2ccc(F)cc2)n1)c1cccnc1Cl ZINC001192159031 918452782 /nfs/dbraw/zinc/45/27/82/918452782.db2.gz LTRONJRKDZHWML-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM CO[C@H](C)c1nsc([N-]C(=O)c2cnn(-c3ccccc3C)c2C(F)F)n1 ZINC000653793733 918491266 /nfs/dbraw/zinc/49/12/66/918491266.db2.gz CAJRJFLDIDZTBU-SNVBAGLBSA-N -1 3 393.419 3.930 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ncccc2[O-])cc1Br ZINC001192221030 918549336 /nfs/dbraw/zinc/54/93/36/918549336.db2.gz CBNDLSJRERDPNS-UHFFFAOYSA-N -1 3 392.253 3.787 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000297130873 919083674 /nfs/dbraw/zinc/08/36/74/919083674.db2.gz UDTIHWCGPHVZQD-HNNXBMFYSA-N -1 3 399.491 3.850 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(F)c1 ZINC000119446579 919631873 /nfs/dbraw/zinc/63/18/73/919631873.db2.gz SOBRAZOIADBUFJ-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM Cc1c(Cl)ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1Cl ZINC000900033006 919765190 /nfs/dbraw/zinc/76/51/90/919765190.db2.gz KWYITWUHVFABFW-NSHDSACASA-N -1 3 396.196 3.760 20 0 GHADHM COc1cc(Br)c(CNC[C@](C)(CC(C)C)C(=O)[O-])c(OC)c1 ZINC000900051322 919775952 /nfs/dbraw/zinc/77/59/52/919775952.db2.gz AUBLWKQNOYZQAJ-KRWDZBQOSA-N -1 3 388.302 3.693 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900250051 920058959 /nfs/dbraw/zinc/05/89/59/920058959.db2.gz SJQHSDRNFXGUPK-UHFFFAOYSA-N -1 3 377.448 3.680 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1c(C)noc1C ZINC000800924833 920606278 /nfs/dbraw/zinc/60/62/78/920606278.db2.gz HWVQGWYYMMZZHW-CQSZACIVSA-N -1 3 382.869 3.503 20 0 GHADHM COc1ccc(C2=NO[C@@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)cc1C ZINC000801365131 920959647 /nfs/dbraw/zinc/95/96/47/920959647.db2.gz NTZRMEGOXNFBIF-GOSISDBHSA-N -1 3 390.439 3.785 20 0 GHADHM O=C([O-])c1cccc2c(CNC[C@@H](OC3CCCC3)C(F)(F)F)ccnc12 ZINC000902219554 921999466 /nfs/dbraw/zinc/99/94/66/921999466.db2.gz WOYZSZXADMERFW-MRXNPFEDSA-N -1 3 382.382 3.913 20 0 GHADHM CCc1oc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1C(=O)[O-] ZINC000902254914 922034576 /nfs/dbraw/zinc/03/45/76/922034576.db2.gz IFCAACCDLCBYAA-CYBMUJFWSA-N -1 3 382.382 3.928 20 0 GHADHM C[C@]1(c2cccc(F)c2)CCN(Cc2cn(-c3ccccc3)nc2C(=O)[O-])C1 ZINC000902347667 922108984 /nfs/dbraw/zinc/10/89/84/922108984.db2.gz GZBDRNWYKHOSIT-QFIPXVFZSA-N -1 3 379.435 3.873 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Cc4cccnc4)CC3)nc2)n1 ZINC000367483645 922135650 /nfs/dbraw/zinc/13/56/50/922135650.db2.gz DWBPGBOASPZENU-UHFFFAOYSA-N -1 3 375.476 3.661 20 0 GHADHM CC[C@@H](OCCNCc1cn(-c2ccccc2)nc1C(=O)[O-])c1ccccc1 ZINC000902402188 922163724 /nfs/dbraw/zinc/16/37/24/922163724.db2.gz GUVSAULVZHQWCX-HXUWFJFHSA-N -1 3 379.460 3.828 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1Br ZINC000902473359 922223634 /nfs/dbraw/zinc/22/36/34/922223634.db2.gz BDMZTYOEOUAWBV-RHSMWYFYSA-N -1 3 382.298 3.928 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)c2ccsc2S1(=O)=O ZINC000368629292 922781858 /nfs/dbraw/zinc/78/18/58/922781858.db2.gz YPKAHTKFUGXADJ-ZBEGNZNMSA-N -1 3 387.482 3.644 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000803328969 922888421 /nfs/dbraw/zinc/88/84/21/922888421.db2.gz XHFXELQQBJHADO-INIZCTEOSA-N -1 3 383.828 3.695 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000903693662 923209446 /nfs/dbraw/zinc/20/94/46/923209446.db2.gz YQBKNJUDSYGRAN-GFCCVEGCSA-N -1 3 390.288 3.625 20 0 GHADHM O=C([O-])c1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC000903704304 923222098 /nfs/dbraw/zinc/22/20/98/923222098.db2.gz WLHZDQCWRAFTOW-QZTJIDSGSA-N -1 3 378.394 3.537 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(c3nc(C4CCC4)no3)CC2)c2ncccc12 ZINC000903912064 923395163 /nfs/dbraw/zinc/39/51/63/923395163.db2.gz XBKBRTDUTNINSC-UHFFFAOYSA-N -1 3 392.459 3.963 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H](C3CCOCC3)C2)c(Br)c1 ZINC000903936533 923411104 /nfs/dbraw/zinc/41/11/04/923411104.db2.gz ULLNCKSEVYUHMV-OAHLLOKOSA-N -1 3 382.298 3.786 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)nc2)n1 ZINC000369545856 923413330 /nfs/dbraw/zinc/41/33/30/923413330.db2.gz KUSKBRAEVLGGJQ-VQTJNVASSA-N -1 3 398.470 3.960 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369743618 923591434 /nfs/dbraw/zinc/59/14/34/923591434.db2.gz NBOYMISURABKAS-NSHDSACASA-N -1 3 394.818 3.723 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)c(Cl)c1)c1ccc(F)cc1 ZINC000748694262 923787557 /nfs/dbraw/zinc/78/75/57/923787557.db2.gz QSDDKCNYKWTZIO-UHFFFAOYSA-N -1 3 386.901 3.833 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000370561985 924172723 /nfs/dbraw/zinc/17/27/23/924172723.db2.gz QUJITZSZLQHVKD-UHFFFAOYSA-N -1 3 379.807 3.763 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1c1cccc(Cl)c1 ZINC000677212221 924285857 /nfs/dbraw/zinc/28/58/57/924285857.db2.gz PUAJJXQPAWUIDM-CXAGYDPISA-N -1 3 379.243 3.857 20 0 GHADHM Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000677864240 924529406 /nfs/dbraw/zinc/52/94/06/924529406.db2.gz CRAFJOUXPXYMLB-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000678180322 924651479 /nfs/dbraw/zinc/65/14/79/924651479.db2.gz ZZZQJWCFLOJKTH-UHFFFAOYSA-N -1 3 396.821 3.605 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)nc2)n1 ZINC000371585135 924696272 /nfs/dbraw/zinc/69/62/72/924696272.db2.gz NXGQMWSZXVVBLD-ZDUSSCGKSA-N -1 3 389.459 3.864 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(CCO)CCc1ccccc1 ZINC000678324981 924725019 /nfs/dbraw/zinc/72/50/19/924725019.db2.gz MIGKVMOUKKXUGF-UHFFFAOYSA-N -1 3 377.440 3.862 20 0 GHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[N-]c1nn2cnnc2s1 ZINC000678343146 924735004 /nfs/dbraw/zinc/73/50/04/924735004.db2.gz BAKGCWUBHFOWON-UHFFFAOYSA-N -1 3 384.490 3.529 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000409622249 924817455 /nfs/dbraw/zinc/81/74/55/924817455.db2.gz CKSNTPTWAOTPLB-GFCCVEGCSA-N -1 3 384.461 3.552 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCCC(F)(F)C1 ZINC000409632103 924827659 /nfs/dbraw/zinc/82/76/59/924827659.db2.gz RQYFRYJWLMJHBU-NSHDSACASA-N -1 3 377.229 3.779 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409952054 925175655 /nfs/dbraw/zinc/17/56/55/925175655.db2.gz JIXMPUBTXROPAK-UHFFFAOYSA-N -1 3 388.393 3.541 20 0 GHADHM CCN(Cc1ccoc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679551487 925179163 /nfs/dbraw/zinc/17/91/63/925179163.db2.gz FRAORWJJBGBPMU-OAQYLSRUSA-N -1 3 392.455 3.895 20 0 GHADHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3c4c(ccc3Cl)OCC4)c2O1 ZINC000410325717 925534025 /nfs/dbraw/zinc/53/40/25/925534025.db2.gz KWZNATBUWQQZKU-UHFFFAOYSA-N -1 3 379.865 3.789 20 0 GHADHM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1NC(=O)CN1CCCCC1 ZINC000681032670 925701388 /nfs/dbraw/zinc/70/13/88/925701388.db2.gz IMQCDSIYMMOHNL-UHFFFAOYSA-N -1 3 385.439 3.516 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000681062580 925712404 /nfs/dbraw/zinc/71/24/04/925712404.db2.gz IMBBNTLNFKISER-UGSOOPFHSA-N -1 3 380.822 3.747 20 0 GHADHM CCCCc1nc(NC(=O)Cc2c(C)nn(C(C)C)c2C)c(C(=O)OCC)[n-]1 ZINC000410755234 925815206 /nfs/dbraw/zinc/81/52/06/925815206.db2.gz RAUYZAFZMSTQER-UHFFFAOYSA-N -1 3 389.500 3.504 20 0 GHADHM O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc([O-])ccc1Cl ZINC000373018821 925816843 /nfs/dbraw/zinc/81/68/43/925816843.db2.gz LYYASDYTQZVPFZ-UHFFFAOYSA-N -1 3 378.215 3.722 20 0 GHADHM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000373117040 925868718 /nfs/dbraw/zinc/86/87/18/925868718.db2.gz BNNPIVLUBKEQMR-MRXNPFEDSA-N -1 3 377.444 3.938 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681759977 925902120 /nfs/dbraw/zinc/90/21/20/925902120.db2.gz UVCRZXHKSLJKQB-WMQCIHAUSA-N -1 3 378.472 3.654 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([O-])c(Cl)c1 ZINC000373429899 926115245 /nfs/dbraw/zinc/11/52/45/926115245.db2.gz IKHZMQRVKGVRMH-UHFFFAOYSA-N -1 3 376.806 3.581 20 0 GHADHM Cc1occc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000682611529 926174331 /nfs/dbraw/zinc/17/43/31/926174331.db2.gz ATIJJWSGMXMCTN-UHFFFAOYSA-N -1 3 382.638 3.622 20 0 GHADHM O=S(=O)([N-]CCCSc1ccc(F)cc1)c1ccc(Cl)nc1Cl ZINC000725816947 926456644 /nfs/dbraw/zinc/45/66/44/926456644.db2.gz ARIIPGHJTXGAAE-UHFFFAOYSA-N -1 3 395.308 3.988 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1[O-] ZINC000411599793 926554445 /nfs/dbraw/zinc/55/44/45/926554445.db2.gz WBAIMGCWADRDHU-UHFFFAOYSA-N -1 3 391.471 3.978 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC3CCN(C(=O)OCC(C)C)CC3)n[n-]2)o1 ZINC000726345006 926633912 /nfs/dbraw/zinc/63/39/12/926633912.db2.gz BGDGNDARZNNIPR-UHFFFAOYSA-N -1 3 389.452 3.640 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC3CCN(C(=O)OCC(C)C)CC3)[n-]n2)o1 ZINC000726345006 926633918 /nfs/dbraw/zinc/63/39/18/926633918.db2.gz BGDGNDARZNNIPR-UHFFFAOYSA-N -1 3 389.452 3.640 20 0 GHADHM O=C(N[C@H]1CCOc2c(Br)cccc21)c1c[n-]c2ccccc2c1=O ZINC000374379455 927075695 /nfs/dbraw/zinc/07/56/95/927075695.db2.gz WSGOWYABZRSGOU-INIZCTEOSA-N -1 3 399.244 3.544 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[O-] ZINC000412176755 927176275 /nfs/dbraw/zinc/17/62/75/927176275.db2.gz YVALBQSCFFCNKU-SFHVURJKSA-N -1 3 393.361 3.827 20 0 GHADHM CCc1oc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1C(=O)OC ZINC000374506189 927220189 /nfs/dbraw/zinc/22/01/89/927220189.db2.gz OJGRXWGMYSIOFI-UHFFFAOYSA-N -1 3 395.415 3.606 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000749796227 927275218 /nfs/dbraw/zinc/27/52/18/927275218.db2.gz OGSFIZSOFWRKEW-ROUUACIJSA-N -1 3 390.483 3.739 20 0 GHADHM Cc1ccc(Oc2ccccc2CCNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000412463362 927475530 /nfs/dbraw/zinc/47/55/30/927475530.db2.gz MUEWDBQZQAYILY-UHFFFAOYSA-N -1 3 391.471 3.801 20 0 GHADHM CCc1cccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1[O-] ZINC000751416088 928180556 /nfs/dbraw/zinc/18/05/56/928180556.db2.gz OTVQIJXQEHMVOL-KRWDZBQOSA-N -1 3 378.472 3.711 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])N(Cc1ccccc1)C1CC1 ZINC000751732858 928353819 /nfs/dbraw/zinc/35/38/19/928353819.db2.gz ZFBBYCTYGXIUMZ-UHFFFAOYSA-N -1 3 377.799 3.533 20 0 GHADHM COCc1nc(C)cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000466902018 928489367 /nfs/dbraw/zinc/48/93/67/928489367.db2.gz CWXIHTIVUWBBSC-UHFFFAOYSA-N -1 3 399.472 3.833 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)co2)cc1 ZINC000466928157 928511922 /nfs/dbraw/zinc/51/19/22/928511922.db2.gz ZLGQLVBONVTNSX-UHFFFAOYSA-N -1 3 380.828 3.921 20 0 GHADHM CS[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC000544102944 928809697 /nfs/dbraw/zinc/80/96/97/928809697.db2.gz ONLILJQQDMMGJA-SNVBAGLBSA-N -1 3 386.402 3.875 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccccc2)ccc1F ZINC000752480006 928842115 /nfs/dbraw/zinc/84/21/15/928842115.db2.gz OQOIFWXCBXLGBR-UHFFFAOYSA-N -1 3 390.480 3.569 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000752630099 928936986 /nfs/dbraw/zinc/93/69/86/928936986.db2.gz IQLNACPUHKMUGM-HUUCEWRRSA-N -1 3 376.497 3.891 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000752630095 928937284 /nfs/dbraw/zinc/93/72/84/928937284.db2.gz IQLNACPUHKMUGM-CABCVRRESA-N -1 3 376.497 3.891 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c(=O)[n-]1 ZINC000544221031 928946940 /nfs/dbraw/zinc/94/69/40/928946940.db2.gz MAXZFSOJULFJNG-LIRRHRJNSA-N -1 3 384.480 3.908 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000544230709 928958457 /nfs/dbraw/zinc/95/84/57/928958457.db2.gz ULGFCKYIWACRQR-UHFFFAOYSA-N -1 3 394.275 3.850 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000544283416 929019050 /nfs/dbraw/zinc/01/90/50/929019050.db2.gz FUAMVOUDKYMSJZ-HZPDHXFCSA-N -1 3 394.397 3.645 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@H](CC)Cc1cccc(Br)c1 ZINC000544353758 929085189 /nfs/dbraw/zinc/08/51/89/929085189.db2.gz PZSVTXJZXILNPV-GFCCVEGCSA-N -1 3 394.269 3.556 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@H](CC)Cc1cccc(Br)c1 ZINC000544353758 929085200 /nfs/dbraw/zinc/08/52/00/929085200.db2.gz PZSVTXJZXILNPV-GFCCVEGCSA-N -1 3 394.269 3.556 20 0 GHADHM CCN(Cc1nc(=O)n(C)[n-]1)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC000544396956 929129202 /nfs/dbraw/zinc/12/92/02/929129202.db2.gz UILXITIDUDTVOM-UHFFFAOYSA-N -1 3 394.519 3.635 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c([O-])c1 ZINC000467504590 929137432 /nfs/dbraw/zinc/13/74/32/929137432.db2.gz LWCDSNPNPBOARD-UHFFFAOYSA-N -1 3 381.432 3.653 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)c12 ZINC000467711385 929326695 /nfs/dbraw/zinc/32/66/95/929326695.db2.gz SYVYOOOQWTUIRZ-UHFFFAOYSA-N -1 3 397.385 3.997 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)c1Cl ZINC000467767014 929388471 /nfs/dbraw/zinc/38/84/71/929388471.db2.gz FUGYAZILESVXRC-UHFFFAOYSA-N -1 3 380.322 3.755 20 0 GHADHM C[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1cccc(OC(F)(F)F)c1 ZINC000753563718 929419889 /nfs/dbraw/zinc/41/98/89/929419889.db2.gz MYAMXJANDLGASS-OKHBPPCESA-N -1 3 376.334 3.547 20 0 GHADHM NC(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1N1CCCCC1 ZINC000469167924 929648915 /nfs/dbraw/zinc/64/89/15/929648915.db2.gz VCGBCVPBVCFTHU-UHFFFAOYSA-N -1 3 399.466 3.582 20 0 GHADHM CCS[C@@H](C)c1noc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469216209 929700292 /nfs/dbraw/zinc/70/02/92/929700292.db2.gz ZWVGZVALCXKNRR-LBPRGKRZSA-N -1 3 381.473 3.710 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cnc3nccnc3c2)s1)c1ccccc1 ZINC000546071258 929827036 /nfs/dbraw/zinc/82/70/36/929827036.db2.gz SOVUGZYXUYSDSK-CQSZACIVSA-N -1 3 376.445 3.671 20 0 GHADHM CN(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1c(F)cccc1F ZINC000469381751 929835421 /nfs/dbraw/zinc/83/54/21/929835421.db2.gz QHEFORKCPNHQRI-QGZVFWFLSA-N -1 3 380.410 3.551 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759334915 930344499 /nfs/dbraw/zinc/34/44/99/930344499.db2.gz SOEVXYPICTUWPO-INIZCTEOSA-N -1 3 394.468 3.551 20 0 GHADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000759679188 930449805 /nfs/dbraw/zinc/44/98/05/930449805.db2.gz BRORAJKHDAWRBY-UILAEWCASA-N -1 3 379.865 3.920 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000759702721 930458832 /nfs/dbraw/zinc/45/88/32/930458832.db2.gz ZRDUHTHNXOFZNN-QGZVFWFLSA-N -1 3 390.411 3.744 20 0 GHADHM COc1cc(C)c(N)c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000759744855 930473828 /nfs/dbraw/zinc/47/38/28/930473828.db2.gz FBWZSXGMUFBQLR-JTQLQIEISA-N -1 3 387.461 3.831 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000780803059 930600825 /nfs/dbraw/zinc/60/08/25/930600825.db2.gz WYKIIVZSPZICBS-JTQLQIEISA-N -1 3 397.378 3.853 20 0 GHADHM COc1cccc(CCC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000781120175 930707292 /nfs/dbraw/zinc/70/72/92/930707292.db2.gz TYIYFFKJERAZNZ-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccc(F)cc4F)n3)n[n-]2)o1 ZINC000781165115 930723944 /nfs/dbraw/zinc/72/39/44/930723944.db2.gz WSBDRKMHSTZTBN-UHFFFAOYSA-N -1 3 386.314 3.663 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccc(F)cc4F)n3)[n-]n2)o1 ZINC000781165115 930723950 /nfs/dbraw/zinc/72/39/50/930723950.db2.gz WSBDRKMHSTZTBN-UHFFFAOYSA-N -1 3 386.314 3.663 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)[n-]n1 ZINC000781430774 930843497 /nfs/dbraw/zinc/84/34/97/930843497.db2.gz MEEYUIPZFZKEBC-YRNVUSSQSA-N -1 3 387.745 3.824 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)n[n-]1 ZINC000781430774 930843507 /nfs/dbraw/zinc/84/35/07/930843507.db2.gz MEEYUIPZFZKEBC-YRNVUSSQSA-N -1 3 387.745 3.824 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000781432426 930844975 /nfs/dbraw/zinc/84/49/75/930844975.db2.gz WPIGUDCEFGNYDI-UHFFFAOYSA-N -1 3 395.369 3.889 20 0 GHADHM O=C(CSc1ccc2c(c1)CCC2)OCc1noc(-c2ccccc2[O-])n1 ZINC000782099495 931090001 /nfs/dbraw/zinc/09/00/01/931090001.db2.gz YUBORNQSZAXXSV-UHFFFAOYSA-N -1 3 382.441 3.766 20 0 GHADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000557327929 931347264 /nfs/dbraw/zinc/34/72/64/931347264.db2.gz VRTAEVCZWUPSJA-VIFPVBQESA-N -1 3 396.727 3.766 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccnn3Cc3ccc(F)cc3)c[n-]c12 ZINC000557501706 931475511 /nfs/dbraw/zinc/47/55/11/931475511.db2.gz GZILZTCCCGODIZ-UHFFFAOYSA-N -1 3 394.381 3.612 20 0 GHADHM C[C@H](CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1 ZINC000783662785 931611530 /nfs/dbraw/zinc/61/15/30/931611530.db2.gz KYCLCCCDZBYDQQ-OLZOCXBDSA-N -1 3 398.887 3.510 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccccc1Cl ZINC000697591888 931686951 /nfs/dbraw/zinc/68/69/51/931686951.db2.gz MPTLKTWATRRNFM-LBPRGKRZSA-N -1 3 392.887 3.711 20 0 GHADHM C[C@@H](CC(=O)OCc1noc(-c2ccccc2[O-])n1)C(=O)c1cccc(F)c1 ZINC000783959563 931732168 /nfs/dbraw/zinc/73/21/68/931732168.db2.gz MPUNCPDMBYAHRW-LBPRGKRZSA-N -1 3 384.363 3.534 20 0 GHADHM C[C@H](CC(=O)OCc1noc(-c2ccccc2[O-])n1)C(=O)c1cccc(F)c1 ZINC000783959562 931732352 /nfs/dbraw/zinc/73/23/52/931732352.db2.gz MPUNCPDMBYAHRW-GFCCVEGCSA-N -1 3 384.363 3.534 20 0 GHADHM CC(C)(C)Oc1cccc(CCC(=O)OCc2noc(-c3ccccc3[O-])n2)n1 ZINC000784117629 931789386 /nfs/dbraw/zinc/78/93/86/931789386.db2.gz HFEGWVHNMUMATP-UHFFFAOYSA-N -1 3 397.431 3.691 20 0 GHADHM Cc1ccc(Br)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000784180128 931807471 /nfs/dbraw/zinc/80/74/71/931807471.db2.gz BVIAYPOXBXKSJG-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM CC/C(=C/C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccc(OC)cc1 ZINC000784304265 931850790 /nfs/dbraw/zinc/85/07/90/931850790.db2.gz GCDAKEZMYUYTHA-OWBHPGMISA-N -1 3 380.400 3.988 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(-c2ccccc2)ns1 ZINC000784306110 931850916 /nfs/dbraw/zinc/85/09/16/931850916.db2.gz QRSDATYFJIMJAU-UHFFFAOYSA-N -1 3 379.397 3.923 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCC[C@@H]1C(F)F ZINC000558639376 932133534 /nfs/dbraw/zinc/13/35/34/932133534.db2.gz OBBANMFZJCIHEC-CYBMUJFWSA-N -1 3 385.208 3.550 20 0 GHADHM O=C1OCCN1c1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1 ZINC000797400095 932270803 /nfs/dbraw/zinc/27/08/03/932270803.db2.gz MGYRSXCJJYAXJY-UHFFFAOYSA-N -1 3 376.199 3.854 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)c3cc(Cl)ccc3C)nc(=O)c2c1C ZINC000559393282 932647855 /nfs/dbraw/zinc/64/78/55/932647855.db2.gz JLYYCYCBSGKMMV-UHFFFAOYSA-N -1 3 391.880 3.678 20 0 GHADHM CC(C)(CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCCC1 ZINC000799019948 932853339 /nfs/dbraw/zinc/85/33/39/932853339.db2.gz CDEKXSBOFSPZPX-UHFFFAOYSA-N -1 3 376.463 3.900 20 0 GHADHM C/C(=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000799019511 932853499 /nfs/dbraw/zinc/85/34/99/932853499.db2.gz NQTOYIARWUXZAW-ZRDIBKRKSA-N -1 3 388.817 3.660 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799020267 932853550 /nfs/dbraw/zinc/85/35/50/932853550.db2.gz HFRYKYKXTUPBHA-PBHICJAKSA-N -1 3 384.442 3.733 20 0 GHADHM Cc1cc(C)c(/C=C\C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C ZINC000799024717 932854073 /nfs/dbraw/zinc/85/40/73/932854073.db2.gz YDDLKPMITHOCNB-PLNGDYQASA-N -1 3 382.426 3.542 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC=C(Br)C3)cc2)cc(=O)[n-]1 ZINC000799387716 932983924 /nfs/dbraw/zinc/98/39/24/932983924.db2.gz NHJHVNKCQMCKRD-UHFFFAOYSA-N -1 3 389.253 3.674 20 0 GHADHM COC[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1cccc(C(F)(F)F)c1 ZINC000777720005 933176001 /nfs/dbraw/zinc/17/60/01/933176001.db2.gz HOJQAVYTEVQIPH-QGZVFWFLSA-N -1 3 393.361 3.995 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001115905427 933238739 /nfs/dbraw/zinc/23/87/39/933238739.db2.gz UEMTXTQDYRJHJB-HNNXBMFYSA-N -1 3 394.500 3.791 20 0 GHADHM CC(=O)c1cccc(NC(=O)COc2ccccc2OCC(F)(F)F)c1[O-] ZINC000560550822 933335218 /nfs/dbraw/zinc/33/52/18/933335218.db2.gz OOSFOQDGJGFAMJ-UHFFFAOYSA-N -1 3 383.322 3.553 20 0 GHADHM CC[C@H](OC(=O)CCc1c(C)nc[n-]c1=O)c1ccc(Br)cc1 ZINC001116275525 933451957 /nfs/dbraw/zinc/45/19/57/933451957.db2.gz USOWJDCSBWGCEK-HNNXBMFYSA-N -1 3 379.254 3.880 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)Nc2cccc([O-])c2F)cc1OCC ZINC001116405274 933539715 /nfs/dbraw/zinc/53/97/15/933539715.db2.gz WWYWSQULAQHORB-UHFFFAOYSA-N -1 3 375.396 3.930 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]([C@@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000929763019 933620064 /nfs/dbraw/zinc/62/00/64/933620064.db2.gz LDMHWKCEYBNCKU-ZWKOTPCHSA-N -1 3 396.491 3.828 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1c(F)cccc1OC(F)(F)F ZINC000561342742 934068779 /nfs/dbraw/zinc/06/87/79/934068779.db2.gz LAEFOATZDOWGTG-CYBMUJFWSA-N -1 3 393.333 3.829 20 0 GHADHM CCCOC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCCC1 ZINC000561470011 934192915 /nfs/dbraw/zinc/19/29/15/934192915.db2.gz BCQDGGHQISSOPD-UHFFFAOYSA-N -1 3 380.432 3.508 20 0 GHADHM Cn1nc(-c2ccccc2)c(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c1Cl ZINC001118579151 934203232 /nfs/dbraw/zinc/20/32/32/934203232.db2.gz XNANBCJKPMRIHD-LBPRGKRZSA-N -1 3 389.805 3.873 20 0 GHADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC001118882487 934274651 /nfs/dbraw/zinc/27/46/51/934274651.db2.gz GSZFSIVGDBRODJ-UHFFFAOYSA-N -1 3 379.856 3.819 20 0 GHADHM COc1ccc(C(=O)[O-])c2c1CN(CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC001119002273 934300094 /nfs/dbraw/zinc/30/00/94/934300094.db2.gz JYASBZPIXISWDM-UHFFFAOYSA-N -1 3 395.377 3.893 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000561668880 934353013 /nfs/dbraw/zinc/35/30/13/934353013.db2.gz USKOSTPRACNNQX-KGLIPLIRSA-N -1 3 394.443 3.555 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1coc(-c3ccccc3C(F)(F)F)n1)C2 ZINC000931311602 934498668 /nfs/dbraw/zinc/49/86/68/934498668.db2.gz LGUDUZHMIFGEAV-UHFFFAOYSA-N -1 3 376.338 3.680 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(F)F)cc1 ZINC000931624102 934648989 /nfs/dbraw/zinc/64/89/89/934648989.db2.gz JPLFWCQLQDJXSR-CYBMUJFWSA-N -1 3 397.447 3.879 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000036139225 934730951 /nfs/dbraw/zinc/73/09/51/934730951.db2.gz VLVXSFYGDAISRS-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM COCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000562257036 934791454 /nfs/dbraw/zinc/79/14/54/934791454.db2.gz VGTFOEDLLQWVSC-UHFFFAOYSA-N -1 3 385.302 3.551 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001122577795 934906669 /nfs/dbraw/zinc/90/66/69/934906669.db2.gz MGUWOBWLLFOZII-QAPCUYQASA-N -1 3 397.479 3.653 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001122999699 935051536 /nfs/dbraw/zinc/05/15/36/935051536.db2.gz SXWPUIKDAUHAMY-OAHLLOKOSA-N -1 3 398.536 3.731 20 0 GHADHM C[C@@H](CC1CCCCC1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372365 935173191 /nfs/dbraw/zinc/17/31/91/935173191.db2.gz MJSVAQDZTRWFAG-FDDCHVKYSA-N -1 3 386.536 3.829 20 0 GHADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1csc(C(=O)OC)n1 ZINC001124563326 935414883 /nfs/dbraw/zinc/41/48/83/935414883.db2.gz IXFDJWCSHPVGJI-UHFFFAOYSA-N -1 3 396.490 3.619 20 0 GHADHM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1c[n-]c2ccccc2c1=O ZINC001124991181 935504785 /nfs/dbraw/zinc/50/47/85/935504785.db2.gz FNVJOSGIOWIPLW-UHFFFAOYSA-N -1 3 395.846 3.670 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000828498065 935646124 /nfs/dbraw/zinc/64/61/24/935646124.db2.gz FXJUXXRBYOEGOC-BEFAXECRSA-N -1 3 391.851 3.713 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nc2)n1 ZINC000828590169 935670410 /nfs/dbraw/zinc/67/04/10/935670410.db2.gz NIBRDZBGJDSXBV-CHWSQXEVSA-N -1 3 387.484 3.520 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC[C@]2(CCc3ccccc32)C1 ZINC000828857101 935729321 /nfs/dbraw/zinc/72/93/21/935729321.db2.gz QBPCKRNDLYLSGK-JOCHJYFZSA-N -1 3 380.394 3.536 20 0 GHADHM Cc1nc(C[N-]C(=O)C(F)(F)c2ccc(Br)cc2)sc1C ZINC000829343674 935798027 /nfs/dbraw/zinc/79/80/27/935798027.db2.gz DBHILJNPKYAQTQ-UHFFFAOYSA-N -1 3 375.238 3.931 20 0 GHADHM C[C@@](O)(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(F)cc1 ZINC001137986506 935908995 /nfs/dbraw/zinc/90/89/95/935908995.db2.gz NGSOYRHLPAXAJX-JOCHJYFZSA-N -1 3 381.403 3.961 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])c1 ZINC000908884002 939345043 /nfs/dbraw/zinc/34/50/43/939345043.db2.gz GVQYMMMMFFANSQ-WMQCIHAUSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1cnc(N2CCC[C@H]2CCC2CCCC2)c(-c2nnn[n-]2)c1 ZINC001573279434 946639132 /nfs/dbraw/zinc/63/91/32/946639132.db2.gz IXBYFFYURQHRFF-AWEZNQCLSA-N -1 3 391.317 3.963 20 0 GHADHM Brc1cnc(N2CCC[C@H]2CCC2CCCC2)c(-c2nn[n-]n2)c1 ZINC001573279434 946639135 /nfs/dbraw/zinc/63/91/35/946639135.db2.gz IXBYFFYURQHRFF-AWEZNQCLSA-N -1 3 391.317 3.963 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1csc(-c2ccc(C)o2)n1 ZINC001573556142 946924796 /nfs/dbraw/zinc/92/47/96/946924796.db2.gz XVLCTGYXSVISFH-UHFFFAOYSA-N -1 3 381.417 3.673 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1csc(-c2ccc(C)o2)n1 ZINC001573556142 946924799 /nfs/dbraw/zinc/92/47/99/946924799.db2.gz XVLCTGYXSVISFH-UHFFFAOYSA-N -1 3 381.417 3.673 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573365083 947727914 /nfs/dbraw/zinc/72/79/14/947727914.db2.gz KXYRXHZVYVLVNR-FLIBITNWSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573365083 947727924 /nfs/dbraw/zinc/72/79/24/947727924.db2.gz KXYRXHZVYVLVNR-FLIBITNWSA-N -1 3 388.258 3.893 20 0 GHADHM COc1ccc(SCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001436647463 948516826 /nfs/dbraw/zinc/51/68/26/948516826.db2.gz BTXHJDGRPONHIV-UHFFFAOYSA-N -1 3 387.440 3.525 20 0 GHADHM COc1ccc(SCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001436647463 948516829 /nfs/dbraw/zinc/51/68/29/948516829.db2.gz BTXHJDGRPONHIV-UHFFFAOYSA-N -1 3 387.440 3.525 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1COCc1ccccc1 ZINC001440740269 948520446 /nfs/dbraw/zinc/52/04/46/948520446.db2.gz ZMWCDLYFASHLFM-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1COCc1ccccc1 ZINC001440740269 948520454 /nfs/dbraw/zinc/52/04/54/948520454.db2.gz ZMWCDLYFASHLFM-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525059941 948538661 /nfs/dbraw/zinc/53/86/61/948538661.db2.gz NWTLLLDYTWGKBH-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525059941 948538665 /nfs/dbraw/zinc/53/86/65/948538665.db2.gz NWTLLLDYTWGKBH-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574433936 948969457 /nfs/dbraw/zinc/96/94/57/948969457.db2.gz WTZSKXPTUSMORM-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574433936 948969472 /nfs/dbraw/zinc/96/94/72/948969472.db2.gz WTZSKXPTUSMORM-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001574092593 949068514 /nfs/dbraw/zinc/06/85/14/949068514.db2.gz SAVQKLNHOUBHHP-NWDGAFQWSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001574092593 949068530 /nfs/dbraw/zinc/06/85/30/949068530.db2.gz SAVQKLNHOUBHHP-NWDGAFQWSA-N -1 3 392.301 3.574 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575504577 949081000 /nfs/dbraw/zinc/08/10/00/949081000.db2.gz SPDOQHUTNMWWFP-SNVBAGLBSA-N -1 3 393.344 3.858 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575504577 949081016 /nfs/dbraw/zinc/08/10/16/949081016.db2.gz SPDOQHUTNMWWFP-SNVBAGLBSA-N -1 3 393.344 3.858 20 0 GHADHM CC(C)(C(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC001573781086 949097174 /nfs/dbraw/zinc/09/71/74/949097174.db2.gz BYVBKAWMEUGVCQ-UHFFFAOYSA-N -1 3 385.471 3.656 20 0 GHADHM CC(C)(C(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC001573781086 949097194 /nfs/dbraw/zinc/09/71/94/949097194.db2.gz BYVBKAWMEUGVCQ-UHFFFAOYSA-N -1 3 385.471 3.656 20 0 GHADHM CC(C)(C(=O)Oc1ccc(OCC2CC2)cc1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573787771 949188960 /nfs/dbraw/zinc/18/89/60/949188960.db2.gz AHNQAUOWWDEIBU-UHFFFAOYSA-N -1 3 396.422 3.678 20 0 GHADHM CC(C)(C(=O)Oc1ccc(OCC2CC2)cc1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573787771 949188973 /nfs/dbraw/zinc/18/89/73/949188973.db2.gz AHNQAUOWWDEIBU-UHFFFAOYSA-N -1 3 396.422 3.678 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)c2-c2nnn[n-]2)C1 ZINC001574100282 949191316 /nfs/dbraw/zinc/19/13/16/949191316.db2.gz TVSMLBXLNYTGMM-JMJZKYOTSA-N -1 3 399.442 3.826 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)c2-c2nn[n-]n2)C1 ZINC001574100282 949191327 /nfs/dbraw/zinc/19/13/27/949191327.db2.gz TVSMLBXLNYTGMM-JMJZKYOTSA-N -1 3 399.442 3.826 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001589606483 949287441 /nfs/dbraw/zinc/28/74/41/949287441.db2.gz RBBQZOXIQHWTME-HXUWFJFHSA-N -1 3 395.500 3.511 20 0 GHADHM CC(C)(C)Oc1cccc(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001573876018 950656789 /nfs/dbraw/zinc/65/67/89/950656789.db2.gz BNXHOEUVWXNYGO-UHFFFAOYSA-N -1 3 392.459 3.819 20 0 GHADHM CC(C)(C)Oc1cccc(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001573876018 950656804 /nfs/dbraw/zinc/65/68/04/950656804.db2.gz BNXHOEUVWXNYGO-UHFFFAOYSA-N -1 3 392.459 3.819 20 0 GHADHM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001575624874 950674018 /nfs/dbraw/zinc/67/40/18/950674018.db2.gz PWGRQANMOQFSEV-KRWDZBQOSA-N -1 3 380.427 3.806 20 0 GHADHM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001575624874 950674030 /nfs/dbraw/zinc/67/40/30/950674030.db2.gz PWGRQANMOQFSEV-KRWDZBQOSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4C3)c2-c2nnn[n-]2)C1 ZINC001576214510 950675667 /nfs/dbraw/zinc/67/56/67/950675667.db2.gz BHUNTPXRSNXYIW-IUODEOHRSA-N -1 3 393.516 3.797 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4C3)c2-c2nn[n-]n2)C1 ZINC001576214510 950675680 /nfs/dbraw/zinc/67/56/80/950675680.db2.gz BHUNTPXRSNXYIW-IUODEOHRSA-N -1 3 393.516 3.797 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC001575626406 950708023 /nfs/dbraw/zinc/70/80/23/950708023.db2.gz ZNBYSZHKDYBYHR-ZDUSSCGKSA-N -1 3 387.896 3.990 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC001575626406 950708036 /nfs/dbraw/zinc/70/80/36/950708036.db2.gz ZNBYSZHKDYBYHR-ZDUSSCGKSA-N -1 3 387.896 3.990 20 0 GHADHM C[C@H]1CCc2c(C(=O)N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)csc2C1 ZINC001576217292 950755140 /nfs/dbraw/zinc/75/51/40/950755140.db2.gz LWLMWBVMRNKATH-KPZWWZAWSA-N -1 3 393.516 3.860 20 0 GHADHM C[C@H]1CCc2c(C(=O)N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)csc2C1 ZINC001576217292 950755149 /nfs/dbraw/zinc/75/51/49/950755149.db2.gz LWLMWBVMRNKATH-KPZWWZAWSA-N -1 3 393.516 3.860 20 0 GHADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC001573881959 950758632 /nfs/dbraw/zinc/75/86/32/950758632.db2.gz LJFFCZWBWGIQPK-UHFFFAOYSA-N -1 3 383.521 3.933 20 0 GHADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC001573881959 950758651 /nfs/dbraw/zinc/75/86/51/950758651.db2.gz LJFFCZWBWGIQPK-UHFFFAOYSA-N -1 3 383.521 3.933 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2ccc(-c3cnco3)cc2)n1 ZINC001573882120 950768676 /nfs/dbraw/zinc/76/86/76/950768676.db2.gz STJDTOWZISKIKS-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2ccc(-c3cnco3)cc2)n1 ZINC001573882120 950768686 /nfs/dbraw/zinc/76/86/86/950768686.db2.gz STJDTOWZISKIKS-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM CC1(C)C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC001575631214 950775832 /nfs/dbraw/zinc/77/58/32/950775832.db2.gz LWLXKKOLFOXWQA-HNNXBMFYSA-N -1 3 394.431 3.770 20 0 GHADHM CC1(C)C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC001575631214 950775842 /nfs/dbraw/zinc/77/58/42/950775842.db2.gz LWLXKKOLFOXWQA-HNNXBMFYSA-N -1 3 394.431 3.770 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cn4ccccc4n3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576220299 950832437 /nfs/dbraw/zinc/83/24/37/950832437.db2.gz WZWNZZJDXFRVFN-MNOVXSKESA-N -1 3 393.476 3.514 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cn4ccccc4n3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576220299 950832462 /nfs/dbraw/zinc/83/24/62/950832462.db2.gz WZWNZZJDXFRVFN-MNOVXSKESA-N -1 3 393.476 3.514 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001575187418 952440991 /nfs/dbraw/zinc/44/09/91/952440991.db2.gz CKIVZQHNQVJELQ-MWTRTKDXSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001575187418 952440996 /nfs/dbraw/zinc/44/09/96/952440996.db2.gz CKIVZQHNQVJELQ-MWTRTKDXSA-N -1 3 389.503 3.529 20 0 GHADHM CC[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589552693 955226830 /nfs/dbraw/zinc/22/68/30/955226830.db2.gz SONPGLYUMHRDSS-WBVHZDCISA-N -1 3 390.455 3.667 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001357165126 958188396 /nfs/dbraw/zinc/18/83/96/958188396.db2.gz CMSIVNCXYRQCNV-UGKGYDQZSA-N -1 3 387.524 3.500 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001573554795 959247805 /nfs/dbraw/zinc/24/78/05/959247805.db2.gz FTPNADQNYXUHPP-LJQANCHMSA-N -1 3 385.464 3.596 20 0 GHADHM CC(C)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001588913015 962331939 /nfs/dbraw/zinc/33/19/39/962331939.db2.gz YJIVZPBSSQBLNH-CSHXORCISA-N -1 3 382.460 3.503 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCc3nc4ccccc4s3)o2)C1 ZINC001605997743 973071937 /nfs/dbraw/zinc/07/19/37/973071937.db2.gz GBJFIFGXMLSMQG-CQSZACIVSA-N -1 3 385.489 3.523 20 0 GHADHM Cc1cccc([C@H](NCc2cnc3c(C)cc(Br)cn23)C(=O)[O-])c1 ZINC001605329341 973196678 /nfs/dbraw/zinc/19/66/78/973196678.db2.gz JSZIHLWGYIHGHX-INIZCTEOSA-N -1 3 388.265 3.629 20 0 GHADHM CCN(CCOc1ccc(Br)cc1)Cc1cc(C)c(C(=O)[O-])o1 ZINC000571571038 974732351 /nfs/dbraw/zinc/73/23/51/974732351.db2.gz MXXCHNXKOXKLOB-UHFFFAOYSA-N -1 3 382.254 3.950 20 0 GHADHM CC(C)OC(=O)c1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001591685745 975484492 /nfs/dbraw/zinc/48/44/92/975484492.db2.gz OCUYACNCELTYBT-UHFFFAOYSA-N -1 3 388.489 3.786 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1csc(C(F)(F)F)c1 ZINC001592267861 977518159 /nfs/dbraw/zinc/51/81/59/977518159.db2.gz HGIMZZQVDUDPLA-JTQLQIEISA-N -1 3 386.395 3.972 20 0 GHADHM C[C@](CC(=O)[O-])(NCc1ccc(OCc2ccccn2)cc1)c1cccnc1 ZINC001592327390 977739684 /nfs/dbraw/zinc/73/96/84/977739684.db2.gz AHUUBQOSLMLWKE-JOCHJYFZSA-N -1 3 377.444 3.535 20 0 GHADHM C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592463640 978190431 /nfs/dbraw/zinc/19/04/31/978190431.db2.gz GCOILHPOXCGDLM-AGIUHOORSA-N -1 3 383.514 3.670 20 0 GHADHM CCCCC[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001595683477 982172234 /nfs/dbraw/zinc/17/22/34/982172234.db2.gz TUAXLBGHNXGCDD-LBPRGKRZSA-N -1 3 379.213 3.553 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1[O-] ZINC001626063226 1014842481 /nfs/dbraw/zinc/84/24/81/1014842481.db2.gz MJIOJCNYRBPXFX-UHFFFAOYSA-N -1 3 390.852 3.586 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001595837029 982745372 /nfs/dbraw/zinc/74/53/72/982745372.db2.gz QUVPWYYJCAYSSU-BQFCYCMXSA-N -1 3 380.916 3.730 20 0 GHADHM CCCN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595889143 982921228 /nfs/dbraw/zinc/92/12/28/982921228.db2.gz ZPDFEHCBCAVSSF-HVHJFMEUSA-N -1 3 378.469 3.599 20 0 GHADHM CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595009492 982934618 /nfs/dbraw/zinc/93/46/18/982934618.db2.gz HRISOGDVLDBRDT-VDGAXYAQSA-N -1 3 389.540 3.555 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC001596254155 983661231 /nfs/dbraw/zinc/66/12/31/983661231.db2.gz CJOBWIWRTBVAJU-GOSISDBHSA-N -1 3 389.521 3.671 20 0 GHADHM CCOC(=O)CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001596601476 984559188 /nfs/dbraw/zinc/55/91/88/984559188.db2.gz LDNWNSQMDZNEEZ-ZDUSSCGKSA-N -1 3 398.297 3.703 20 0 GHADHM C[C@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599926855 985213756 /nfs/dbraw/zinc/21/37/56/985213756.db2.gz IBVOVXQFROLVCD-IPELMVKDSA-N -1 3 377.444 3.869 20 0 GHADHM Cc1[nH]c(CN2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599961423 985788908 /nfs/dbraw/zinc/78/89/08/985788908.db2.gz FQUKJLQAGLELAZ-YCRPNKLZSA-N -1 3 391.512 3.538 20 0 GHADHM CCOCC(C)(C)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001596890256 985808864 /nfs/dbraw/zinc/80/88/64/985808864.db2.gz XJXPWFWCPAJTOL-UHFFFAOYSA-N -1 3 386.279 3.782 20 0 GHADHM Cc1[nH]c(CN(C[C@@H](O)COc2cccc3ccccc32)C(C)C)cc1C(=O)[O-] ZINC001599963185 985833743 /nfs/dbraw/zinc/83/37/43/985833743.db2.gz YOZHAYGWHNDPRB-LJQANCHMSA-N -1 3 396.487 3.825 20 0 GHADHM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC001589335030 986205677 /nfs/dbraw/zinc/20/56/77/986205677.db2.gz LLAIWPVOSHNWEP-BLLLJJGKSA-N -1 3 387.307 3.842 20 0 GHADHM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1OC ZINC001596987197 986263087 /nfs/dbraw/zinc/26/30/87/986263087.db2.gz PYUZJZHQJWANJF-SFHVURJKSA-N -1 3 391.851 3.598 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001597021689 986413131 /nfs/dbraw/zinc/41/31/31/986413131.db2.gz MELQXTXTXXZVSE-GOSISDBHSA-N -1 3 397.475 3.570 20 0 GHADHM CCOc1cc(F)cc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1 ZINC001597036980 986480773 /nfs/dbraw/zinc/48/07/73/986480773.db2.gz SAFLSUHBRZACJM-ZWKOTPCHSA-N -1 3 379.378 3.803 20 0 GHADHM CCc1[nH]c(CN[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001597392889 987629390 /nfs/dbraw/zinc/62/93/90/987629390.db2.gz ZXSQSQOFBXODLO-KRWDZBQOSA-N -1 3 383.414 3.687 20 0 GHADHM CCc1ccc2c(CN[C@@H](C)c3ccc(OCC(=O)[O-])cc3)cc(=O)oc2c1 ZINC001597569373 988334267 /nfs/dbraw/zinc/33/42/67/988334267.db2.gz QFSBFLHVFKHDBX-AWEZNQCLSA-N -1 3 381.428 3.670 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599821576 988522939 /nfs/dbraw/zinc/52/29/39/988522939.db2.gz DHNLVCXGBXVGGP-ZIAGYGMSSA-N -1 3 388.489 3.550 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001597762633 989197065 /nfs/dbraw/zinc/19/70/65/989197065.db2.gz IFGBWBUWGMOHKM-KBPBESRZSA-N -1 3 380.485 3.665 20 0 GHADHM CN(C[C@@H](O)c1cccc(Br)c1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001598436875 991835609 /nfs/dbraw/zinc/83/56/09/991835609.db2.gz KNGHRHARBKGECR-HZPDHXFCSA-N -1 3 398.684 3.894 20 0 GHADHM CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CCC(=O)[O-] ZINC001591245277 992134839 /nfs/dbraw/zinc/13/48/39/992134839.db2.gz KPZUXPOYHOLVLP-OAHLLOKOSA-N -1 3 375.296 3.560 20 0 GHADHM Cc1cc(C)c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1CO ZINC001154470324 1032125122 /nfs/dbraw/zinc/12/51/22/1032125122.db2.gz FNZIDKKAHLATFU-UHFFFAOYSA-N -1 3 378.428 3.733 20 0 GHADHM CN(Cc1cnc2c(cnn2C)c1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598533159 992812406 /nfs/dbraw/zinc/81/24/06/992812406.db2.gz LTISFDDSEZIBKB-OAHLLOKOSA-N -1 3 379.247 3.533 20 0 GHADHM CN1CCN(C(=O)Nc2cccc([C@@H]3CCCC(C)(C)C3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609289 993735591 /nfs/dbraw/zinc/73/55/91/993735591.db2.gz RQFVLQAILZAXNP-MSOLQXFVSA-N -1 3 387.524 3.851 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC001593118072 993823212 /nfs/dbraw/zinc/82/32/12/993823212.db2.gz ZXCIBCYAONJQEZ-DNVCBOLYSA-N -1 3 383.492 3.862 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593198925 994177503 /nfs/dbraw/zinc/17/75/03/994177503.db2.gz VTXYQYGQZUBPDO-UONOGXRCSA-N -1 3 388.895 3.856 20 0 GHADHM C[C@@H](NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(Br)cn1 ZINC001593272115 994609814 /nfs/dbraw/zinc/60/98/14/994609814.db2.gz PEDGINPEGXUUBG-VVOKDJNJSA-N -1 3 391.265 3.672 20 0 GHADHM COC(=O)C(C)(C)[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC001598683522 994970932 /nfs/dbraw/zinc/97/09/32/994970932.db2.gz YIAVEGXSQHMKKA-LJQANCHMSA-N -1 3 381.472 3.833 20 0 GHADHM C[C@@H](c1cccc(Br)c1)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593697999 996159800 /nfs/dbraw/zinc/15/98/00/996159800.db2.gz CNSRHJYXMNFXBS-SCLBCKFNSA-N -1 3 382.298 3.592 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cc(F)cc(F)c3)no2)ccc1F ZINC000545585565 1016067814 /nfs/dbraw/zinc/06/78/14/1016067814.db2.gz GEPPXCROOFIYOX-UHFFFAOYSA-N -1 3 397.378 3.508 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001599499667 997092932 /nfs/dbraw/zinc/09/29/32/997092932.db2.gz FOUGAYPCLNWKPG-UHFFFAOYSA-N -1 3 384.451 3.560 20 0 GHADHM COc1ccc([C@@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)c1OC ZINC001599511563 997307909 /nfs/dbraw/zinc/30/79/09/997307909.db2.gz WCDUCSFPMREUAN-MRXNPFEDSA-N -1 3 387.476 3.943 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)ccc1F ZINC000468854651 1016117685 /nfs/dbraw/zinc/11/76/85/1016117685.db2.gz GKZBPIRQVQTVBO-UHFFFAOYSA-N -1 3 392.496 3.997 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])cc1Cl ZINC001599530443 997640856 /nfs/dbraw/zinc/64/08/56/997640856.db2.gz DCASRAXZEYAPBI-KRWDZBQOSA-N -1 3 385.794 3.908 20 0 GHADHM COCCCC1(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCC1 ZINC001599224980 997742042 /nfs/dbraw/zinc/74/20/42/997742042.db2.gz ZZQJVMJALLMQQE-LJQANCHMSA-N -1 3 394.943 3.680 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000468875970 1016151671 /nfs/dbraw/zinc/15/16/71/1016151671.db2.gz HQASWJKTCIFRLM-UHFFFAOYSA-N -1 3 391.406 3.622 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](C1CC1)N(CCOc1cccc(C(=O)[O-])c1)CC2 ZINC001599464850 998340918 /nfs/dbraw/zinc/34/09/18/998340918.db2.gz JBPRFGPJTZOOOE-JOCHJYFZSA-N -1 3 397.471 3.790 20 0 GHADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CC[C@@H]2C[C@H]2C2CC2)c1 ZINC001599474864 998512764 /nfs/dbraw/zinc/51/27/64/998512764.db2.gz JREOOHONDHFYPP-IFIJOSMWSA-N -1 3 382.298 3.951 20 0 GHADHM COc1ccc(C(C)(C)CNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000468923472 1016225900 /nfs/dbraw/zinc/22/59/00/1016225900.db2.gz LBMSUOVELMWUDP-UHFFFAOYSA-N -1 3 389.467 3.965 20 0 GHADHM CO[C@](C)(CNCc1cc(C(=O)[O-])ccc1Cl)COCc1ccccc1 ZINC001599036584 999087574 /nfs/dbraw/zinc/08/75/74/999087574.db2.gz JVHBLRZBFQDIJW-HXUWFJFHSA-N -1 3 377.868 3.750 20 0 GHADHM C[C@H]1CC[C@@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])O1 ZINC001594309550 999195235 /nfs/dbraw/zinc/19/52/35/999195235.db2.gz XMYZHSXCEBJGFA-GWCFXTLKSA-N -1 3 384.263 3.534 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000469111687 1016501457 /nfs/dbraw/zinc/50/14/57/1016501457.db2.gz WWJBUONUCPCWFZ-KRWDZBQOSA-N -1 3 381.451 3.895 20 0 GHADHM CN(C)CCN(C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C1CCCC1 ZINC000470517124 1016809304 /nfs/dbraw/zinc/80/93/04/1016809304.db2.gz FOMBHTPKWNLYDG-UHFFFAOYSA-N -1 3 399.520 3.711 20 0 GHADHM COc1cccc(CC2(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)CCCCC2)c1 ZINC001154797074 1032288740 /nfs/dbraw/zinc/28/87/40/1032288740.db2.gz DXVODNQJYNFPEQ-UHFFFAOYSA-N -1 3 395.503 3.878 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCCC1)c1ccc(Br)cc1F ZINC000317339732 1032361086 /nfs/dbraw/zinc/36/10/86/1032361086.db2.gz LMCSINAZKNJBKJ-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3ccc4[nH][n-]c(=O)c4c3)cc21 ZINC001155036368 1032388942 /nfs/dbraw/zinc/38/89/42/1032388942.db2.gz LWHAVVNLOBUXGC-UHFFFAOYSA-N -1 3 394.431 3.818 20 0 GHADHM CC/C=C\CCOC(=O)[C@H](C)Oc1cccc([O-])c1I ZINC001227382329 1032397182 /nfs/dbraw/zinc/39/71/82/1032397182.db2.gz UZWGFPOZZWDGJM-WYGGZMRJSA-N -1 3 390.217 3.664 20 0 GHADHM CCCc1cc(O[C@@H]2COCc3cc(Br)cnc32)[n-]c(=S)n1 ZINC001227421672 1032414744 /nfs/dbraw/zinc/41/47/44/1032414744.db2.gz HXKVEIJTALCNRN-GFCCVEGCSA-N -1 3 382.283 3.526 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)cc1C(F)(F)F ZINC001155186157 1032448794 /nfs/dbraw/zinc/44/87/94/1032448794.db2.gz JYGQDSIMMWFJPW-UHFFFAOYSA-N -1 3 398.728 3.669 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)cc1C(F)(F)F ZINC001155186157 1032448798 /nfs/dbraw/zinc/44/87/98/1032448798.db2.gz JYGQDSIMMWFJPW-UHFFFAOYSA-N -1 3 398.728 3.669 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)cc1C(F)(F)F ZINC001155186157 1032448806 /nfs/dbraw/zinc/44/88/06/1032448806.db2.gz JYGQDSIMMWFJPW-UHFFFAOYSA-N -1 3 398.728 3.669 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCC(Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227582536 1032471959 /nfs/dbraw/zinc/47/19/59/1032471959.db2.gz AJYQWRYYCZHAJZ-UHFFFAOYSA-N -1 3 384.329 3.629 20 0 GHADHM CCOC(=O)c1ccc2[n-]c(O[C@@H](C(=O)OC)c3ccccc3Cl)nc2c1 ZINC001227705634 1032524043 /nfs/dbraw/zinc/52/40/43/1032524043.db2.gz BEDBHASDQUTEIW-MRXNPFEDSA-N -1 3 388.807 3.686 20 0 GHADHM Cc1cc(C)cc([C@@H](O)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001155466594 1032553561 /nfs/dbraw/zinc/55/35/61/1032553561.db2.gz WVMHGRZTSJHFKQ-AWEZNQCLSA-N -1 3 391.493 3.570 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@@H](C(=O)c2ccsc2)c2ccsc2)n1 ZINC001227820153 1032628559 /nfs/dbraw/zinc/62/85/59/1032628559.db2.gz OTULEHDCWUUXFT-OAHLLOKOSA-N -1 3 375.427 3.700 20 0 GHADHM CC(C)c1nc(C2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)no1 ZINC000560931684 1017753573 /nfs/dbraw/zinc/75/35/73/1017753573.db2.gz ZDMHWPLRCDKQTL-UHFFFAOYSA-N -1 3 375.444 3.767 20 0 GHADHM COC(=O)c1scnc1[N-]C(=O)c1cc2cc(Br)cnc2s1 ZINC001155870884 1032753229 /nfs/dbraw/zinc/75/32/29/1032753229.db2.gz UDDXBNSWVXATRW-UHFFFAOYSA-N -1 3 398.263 3.554 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1ccccc1-c1ncc2n1CCCC2 ZINC000568825305 1019447478 /nfs/dbraw/zinc/44/74/78/1019447478.db2.gz KCEXIHZJRGSHSM-UHFFFAOYSA-N -1 3 385.464 3.967 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[O-] ZINC000569124943 1019467076 /nfs/dbraw/zinc/46/70/76/1019467076.db2.gz ZFXMVAICTOFYCB-HOCLYGCPSA-N -1 3 377.444 3.927 20 0 GHADHM CNC(=O)c1cccc(N(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001156052972 1032857789 /nfs/dbraw/zinc/85/77/89/1032857789.db2.gz KAXMZRUDFYDEHU-UHFFFAOYSA-N -1 3 388.467 3.814 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000574625319 1019893845 /nfs/dbraw/zinc/89/38/45/1019893845.db2.gz AAVHJFXBMXZFES-UHFFFAOYSA-N -1 3 390.281 3.530 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cc2n[nH]nc2cc1F ZINC001156076291 1032864896 /nfs/dbraw/zinc/86/48/96/1032864896.db2.gz ZEEUUUJIXXGCOS-UHFFFAOYSA-N -1 3 388.742 3.536 20 0 GHADHM CCOc1ccc(-c2nc(CN3C[C@@H](C)[C@@](C)(C(=O)[O-])C3)cs2)cc1OC ZINC000576591207 1020039867 /nfs/dbraw/zinc/03/98/67/1020039867.db2.gz JFQSTMMQCPDXBP-XCLFUZPHSA-N -1 3 390.505 3.760 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)n1 ZINC001156113896 1032885342 /nfs/dbraw/zinc/88/53/42/1032885342.db2.gz BNUXHIQLASKEFI-UHFFFAOYSA-N -1 3 386.814 3.815 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346273 1032901244 /nfs/dbraw/zinc/90/12/44/1032901244.db2.gz CSOSVVUTOQLLGN-XHSDSOJGSA-N -1 3 392.521 3.656 20 0 GHADHM Cc1cc(C)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)c1Br ZINC000628031946 1020649892 /nfs/dbraw/zinc/64/98/92/1020649892.db2.gz DHPBGZZRGHZHIE-ZDUSSCGKSA-N -1 3 378.270 3.623 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC001156237023 1032935932 /nfs/dbraw/zinc/93/59/32/1032935932.db2.gz HZGGUINWULHTMK-IEBWSBKVSA-N -1 3 380.488 3.534 20 0 GHADHM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000634849943 1020959542 /nfs/dbraw/zinc/95/95/42/1020959542.db2.gz NRIYUEQQGJLVNK-OFNKIYASSA-N -1 3 386.536 3.676 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OC)c(OC(C)C)c1)c1ccccc1N ZINC001203022211 1021355138 /nfs/dbraw/zinc/35/51/38/1021355138.db2.gz JOJISDWLXDVWBO-UHFFFAOYSA-N -1 3 389.477 3.844 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c1C ZINC000749163811 1021763323 /nfs/dbraw/zinc/76/33/23/1021763323.db2.gz XNYKYXIMPHIHEV-UHFFFAOYSA-N -1 3 390.896 3.955 20 0 GHADHM Cc1ccccc1CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137272998 1021784356 /nfs/dbraw/zinc/78/43/56/1021784356.db2.gz PYGOGKVLXWKCFZ-UHFFFAOYSA-N -1 3 385.261 3.572 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001228621504 1033012915 /nfs/dbraw/zinc/01/29/15/1033012915.db2.gz BBFGTGZEORBTQM-UHFFFAOYSA-N -1 3 397.402 3.630 20 0 GHADHM Cc1[nH]c(CN2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001140501457 1021878475 /nfs/dbraw/zinc/87/84/75/1021878475.db2.gz YGPOPPVBALEXAK-NRFANRHFSA-N -1 3 391.512 3.695 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001228626498 1033016611 /nfs/dbraw/zinc/01/66/11/1033016611.db2.gz AOCXUJQABSJIFZ-AWEZNQCLSA-N -1 3 389.448 3.975 20 0 GHADHM COc1ccccc1O[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC001140548463 1021950130 /nfs/dbraw/zinc/95/01/30/1021950130.db2.gz MSEHHIFWYKRGBO-AWEZNQCLSA-N -1 3 378.266 3.817 20 0 GHADHM Cc1cccc(O[C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC001140555629 1021959689 /nfs/dbraw/zinc/95/96/89/1021959689.db2.gz PWKFDSUNXVUMTN-OAHLLOKOSA-N -1 3 377.282 3.902 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(Cl)o1 ZINC000679537642 1022008805 /nfs/dbraw/zinc/00/88/05/1022008805.db2.gz YMIGTYFFYYKCLQ-GOSISDBHSA-N -1 3 398.846 3.816 20 0 GHADHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725829141 1022386123 /nfs/dbraw/zinc/38/61/23/1022386123.db2.gz VUQBCLUIQOCCLH-NSHDSACASA-N -1 3 389.304 3.697 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1[O-] ZINC000754270212 1022574169 /nfs/dbraw/zinc/57/41/69/1022574169.db2.gz DBVWUVQOZWFSHA-NSHDSACASA-N -1 3 393.823 3.555 20 0 GHADHM Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000754487530 1022734347 /nfs/dbraw/zinc/73/43/47/1022734347.db2.gz IXXJBTPBLXBQCD-UHFFFAOYSA-N -1 3 388.880 3.930 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc([O-])c(F)c3F)C2)CC1 ZINC001140888098 1022803064 /nfs/dbraw/zinc/80/30/64/1022803064.db2.gz NXQGEICOKKGTCW-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC([O-])=NOC(C)(C)C(=O)OCC)c1 ZINC000836463334 1022993419 /nfs/dbraw/zinc/99/34/19/1022993419.db2.gz XFTCVNOPTHMRGS-UHFFFAOYSA-N -1 3 388.468 3.745 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c1 ZINC000836463334 1022993423 /nfs/dbraw/zinc/99/34/23/1022993423.db2.gz XFTCVNOPTHMRGS-UHFFFAOYSA-N -1 3 388.468 3.745 20 0 GHADHM Cc1cc(NC(=O)[N-]O[C@H](CO)C(C)C)nn1-c1ccc(Cl)cc1Cl ZINC000836492808 1023029529 /nfs/dbraw/zinc/02/95/29/1023029529.db2.gz IOUHPDJTZYLBDN-CQSZACIVSA-N -1 3 387.267 3.558 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140990040 1023101753 /nfs/dbraw/zinc/10/17/53/1023101753.db2.gz ITZUUIYCFCLKHM-INIZCTEOSA-N -1 3 378.463 3.579 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(F)cc1OCCC(F)(F)F ZINC000836600182 1023159031 /nfs/dbraw/zinc/15/90/31/1023159031.db2.gz SFHRPLUDOHFENY-UHFFFAOYSA-N -1 3 396.337 3.552 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000836600182 1023159038 /nfs/dbraw/zinc/15/90/38/1023159038.db2.gz SFHRPLUDOHFENY-UHFFFAOYSA-N -1 3 396.337 3.552 20 0 GHADHM CCOC(=O)CN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)c2ccccc21 ZINC000755409345 1023235442 /nfs/dbraw/zinc/23/54/42/1023235442.db2.gz GKCWJNDCFXOFSL-RIYZIHGNSA-N -1 3 387.819 3.505 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNCCc1ccccc1C(=O)[O-] ZINC000756307782 1023585947 /nfs/dbraw/zinc/58/59/47/1023585947.db2.gz IAAHJJJNPONLQY-UHFFFAOYSA-N -1 3 383.879 3.924 20 0 GHADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cc(Cl)ccc1Cl ZINC000756338430 1023596343 /nfs/dbraw/zinc/59/63/43/1023596343.db2.gz KPEUKNLCZDOTCZ-INIZCTEOSA-N -1 3 382.243 3.670 20 0 GHADHM CC(C)C[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)OCc1ccccc1 ZINC000756698218 1023779776 /nfs/dbraw/zinc/77/97/76/1023779776.db2.gz XZAOGDXSLWOPLC-AWEZNQCLSA-N -1 3 382.432 3.509 20 0 GHADHM COc1ccc(OC(F)F)c(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000756987276 1023898911 /nfs/dbraw/zinc/89/89/11/1023898911.db2.gz YOJXMTFZMUFTPN-UHFFFAOYSA-N -1 3 375.293 3.844 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cn(-c2ccccc2)nn1 ZINC000757063186 1023924629 /nfs/dbraw/zinc/92/46/29/1023924629.db2.gz XLKAULCCZDJBFV-LLVKDONJSA-N -1 3 378.329 3.515 20 0 GHADHM [O-]c1cc(Br)cnc1O/C(=C\[C@H](O)C(F)(F)F)c1cccs1 ZINC001228955602 1033197992 /nfs/dbraw/zinc/19/79/92/1033197992.db2.gz KEFUDRIYBFDURK-GWZUUTHWSA-N -1 3 396.184 3.954 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958165 1033199407 /nfs/dbraw/zinc/19/94/07/1033199407.db2.gz JDKUZXFIHITWCM-HRCADAONSA-N -1 3 382.497 3.942 20 0 GHADHM CC(C)N1CCc2nc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)sc2C1 ZINC001138180992 1024318487 /nfs/dbraw/zinc/31/84/87/1024318487.db2.gz IFUMGILMVAFUDQ-UHFFFAOYSA-N -1 3 385.411 3.886 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cc(Cl)cc2c1OCC2 ZINC001156729241 1033209157 /nfs/dbraw/zinc/20/91/57/1033209157.db2.gz JIQYIQGUMOLPEI-NSHDSACASA-N -1 3 395.789 3.936 20 0 GHADHM COc1ccc(CN2CCCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC001141293612 1024426193 /nfs/dbraw/zinc/42/61/93/1024426193.db2.gz YFLCNFCPVSJNLX-UHFFFAOYSA-N -1 3 396.512 3.964 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C1(c2ccc(F)cc2F)CCOCC1 ZINC000831367520 1024523014 /nfs/dbraw/zinc/52/30/14/1024523014.db2.gz PDAARUNIIWVSRN-UHFFFAOYSA-N -1 3 397.368 3.887 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1csc(Cc2cccc(F)c2)n1 ZINC000837623907 1024594405 /nfs/dbraw/zinc/59/44/05/1024594405.db2.gz LUMINAZLLDKCOX-UHFFFAOYSA-N -1 3 385.420 3.603 20 0 GHADHM CC(C)NC(=O)N[C@H]1CCCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141360614 1024710215 /nfs/dbraw/zinc/71/02/15/1024710215.db2.gz DCGVURHRZXNGBX-NRFANRHFSA-N -1 3 395.503 3.724 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838142413 1024943088 /nfs/dbraw/zinc/94/30/88/1024943088.db2.gz NCXUVIUWINHFGJ-UHFFFAOYSA-N -1 3 391.414 3.583 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC001138531883 1024973154 /nfs/dbraw/zinc/97/31/54/1024973154.db2.gz HDXXPRBHSIPJBN-INIZCTEOSA-N -1 3 387.505 3.826 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc(Cl)c1[O-] ZINC000831917428 1025012381 /nfs/dbraw/zinc/01/23/81/1025012381.db2.gz BUKSCGZATFJPGU-LBPRGKRZSA-N -1 3 377.872 3.921 20 0 GHADHM CN(CC(=O)Nc1c([O-])cccc1Cl)c1ccc(C(F)(F)F)cc1C=O ZINC001141469591 1025149597 /nfs/dbraw/zinc/14/95/97/1025149597.db2.gz WTDTYLCRQQURPI-UHFFFAOYSA-N -1 3 386.757 3.952 20 0 GHADHM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001138799000 1025377216 /nfs/dbraw/zinc/37/72/16/1025377216.db2.gz IQRFMKDKEKQSTA-UHFFFAOYSA-N -1 3 394.822 3.782 20 0 GHADHM CCCCOC[C@H](C)OC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097540 1033276839 /nfs/dbraw/zinc/27/68/39/1033276839.db2.gz TUDITPQEWMHVMV-NWDGAFQWSA-N -1 3 377.275 3.849 20 0 GHADHM COc1ccc(C)cc1NC(=O)Nc1ccc(I)cc1[O-] ZINC001202868701 1025440649 /nfs/dbraw/zinc/44/06/49/1025440649.db2.gz GEUMPVSBYVODHU-UHFFFAOYSA-N -1 3 398.200 3.958 20 0 GHADHM Cc1c(NC(=O)c2cc3sccc3c([O-])c2)cccc1N1C(=O)CCNC1=O ZINC001138961155 1025663593 /nfs/dbraw/zinc/66/35/93/1025663593.db2.gz HNBRJJMXJFYBEH-UHFFFAOYSA-N -1 3 395.440 3.614 20 0 GHADHM O=c1cc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c2ccc([O-])cc2o1 ZINC000839202595 1025720472 /nfs/dbraw/zinc/72/04/72/1025720472.db2.gz LLELUJDLVSQFFC-UHFFFAOYSA-N -1 3 386.835 3.590 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)[n-]n1 ZINC001162885115 1025954155 /nfs/dbraw/zinc/95/41/55/1025954155.db2.gz FAMRSMSFTDISNU-UHFFFAOYSA-N -1 3 378.791 3.891 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)n[n-]1 ZINC001162885115 1025954159 /nfs/dbraw/zinc/95/41/59/1025954159.db2.gz FAMRSMSFTDISNU-UHFFFAOYSA-N -1 3 378.791 3.891 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1)C(F)(F)F ZINC000832904628 1026086129 /nfs/dbraw/zinc/08/61/29/1026086129.db2.gz VACJZOHQKKLHPV-OAHLLOKOSA-N -1 3 394.437 3.931 20 0 GHADHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001164322610 1026484505 /nfs/dbraw/zinc/48/45/05/1026484505.db2.gz QDXYBHPUCKWTPS-SNVBAGLBSA-N -1 3 399.800 3.835 20 0 GHADHM CCCCOc1c(Br)cc(C)cc1NCCCc1c[n-][nH]c1=O ZINC001164393491 1026504628 /nfs/dbraw/zinc/50/46/28/1026504628.db2.gz ABVYACUFBVYKPT-CYBMUJFWSA-N -1 3 382.302 3.860 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2Cc2ccc(OC)cc2)c1 ZINC001165481044 1026742810 /nfs/dbraw/zinc/74/28/10/1026742810.db2.gz LOTIVJTWJGDJEP-GOSISDBHSA-N -1 3 394.471 3.763 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)cc1[O-] ZINC001165564629 1026763418 /nfs/dbraw/zinc/76/34/18/1026763418.db2.gz PFYYOHQLJQCCPZ-HNNXBMFYSA-N -1 3 382.243 3.707 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)cc1[O-] ZINC001165564630 1026763474 /nfs/dbraw/zinc/76/34/74/1026763474.db2.gz PFYYOHQLJQCCPZ-OAHLLOKOSA-N -1 3 382.243 3.707 20 0 GHADHM COC([O-])=NC(=S)N(c1cccc(C(=O)C(F)(F)F)c1)c1ccccc1N ZINC001203349942 1027285021 /nfs/dbraw/zinc/28/50/21/1027285021.db2.gz FTMYCDCYEQTLHE-UHFFFAOYSA-N -1 3 397.378 3.793 20 0 GHADHM COC(=O)N=C([S-])N(c1cccc(C(=O)C(F)(F)F)c1)c1ccccc1N ZINC001203349942 1027285034 /nfs/dbraw/zinc/28/50/34/1027285034.db2.gz FTMYCDCYEQTLHE-UHFFFAOYSA-N -1 3 397.378 3.793 20 0 GHADHM O=C(NCCCOCC(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001141794714 1027299278 /nfs/dbraw/zinc/29/92/78/1027299278.db2.gz VURTVJVHBDRGIQ-UHFFFAOYSA-N -1 3 381.394 3.876 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC001141843726 1027414940 /nfs/dbraw/zinc/41/49/40/1027414940.db2.gz TWXYXSFSJMNOCG-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC001141843726 1027414948 /nfs/dbraw/zinc/41/49/48/1027414948.db2.gz TWXYXSFSJMNOCG-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001210624506 1027579779 /nfs/dbraw/zinc/57/97/79/1027579779.db2.gz VXCAYNXKSFKZDZ-STQMWFEESA-N -1 3 396.347 3.931 20 0 GHADHM CC(C)OC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCCC1 ZINC001210725142 1027625231 /nfs/dbraw/zinc/62/52/31/1027625231.db2.gz PORZDDQMUGHOBD-UHFFFAOYSA-N -1 3 381.325 3.795 20 0 GHADHM CCOC(=O)C(=Cc1cccc2c1OCO2)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000840713386 1027751659 /nfs/dbraw/zinc/75/16/59/1027751659.db2.gz NDYGHFQILRNHLS-MDWZMJQESA-N -1 3 398.440 3.846 20 0 GHADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1sc(Br)cc1C)OC ZINC001211117213 1027795186 /nfs/dbraw/zinc/79/51/86/1027795186.db2.gz BJUKSHLWCSFPKM-LBPRGKRZSA-N -1 3 398.388 3.939 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001211180748 1027827406 /nfs/dbraw/zinc/82/74/06/1027827406.db2.gz YQUKUVWPYVBHQG-QWHCGFSZSA-N -1 3 388.942 3.822 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C)CCCc3ccccc32)c1 ZINC001211201545 1027835732 /nfs/dbraw/zinc/83/57/32/1027835732.db2.gz FFCCBAQQGBTGFA-HXUWFJFHSA-N -1 3 391.464 3.532 20 0 GHADHM Nc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccc(F)c([O-])c2)cc1 ZINC001211217560 1027842385 /nfs/dbraw/zinc/84/23/85/1027842385.db2.gz WGCAQJCRGDBBRE-UHFFFAOYSA-N -1 3 386.448 3.552 20 0 GHADHM Cc1nc(-c2noc(-c3cc(=O)c(OCc4ccccc4)c[n-]3)n2)ccc1F ZINC001213228392 1028057545 /nfs/dbraw/zinc/05/75/45/1028057545.db2.gz XFDGAMWDBCXDDC-UHFFFAOYSA-N -1 3 378.363 3.513 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccns1 ZINC001213304326 1028099729 /nfs/dbraw/zinc/09/97/29/1028099729.db2.gz VCFWXOITOOEKQM-SSDOTTSWSA-N -1 3 381.704 3.599 20 0 GHADHM COC(=O)c1cc(OC)c(Br)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213386837 1028155097 /nfs/dbraw/zinc/15/50/97/1028155097.db2.gz YHFRWDPJYWQVCD-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCn3c(Br)cnc3C2)c(Cl)c1 ZINC001142114697 1028156173 /nfs/dbraw/zinc/15/61/73/1028156173.db2.gz NLIJYNADCALITO-UHFFFAOYSA-N -1 3 377.069 3.674 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(Cc2ccccc2)C(C)C)c(F)c1 ZINC001213390789 1028156815 /nfs/dbraw/zinc/15/68/15/1028156815.db2.gz BRPVXIVNQMEWJK-FQEVSTJZSA-N -1 3 393.480 3.548 20 0 GHADHM O=C(Cc1ccccc1)N1CCCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142118604 1028171044 /nfs/dbraw/zinc/17/10/44/1028171044.db2.gz SHRUTZYRWYMXNO-UHFFFAOYSA-N -1 3 393.314 3.976 20 0 GHADHM O=S(=O)([N-][C@H](CF)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1F ZINC001213473470 1028208488 /nfs/dbraw/zinc/20/84/88/1028208488.db2.gz DAWGXMFCTZJYSX-CYBMUJFWSA-N -1 3 383.313 3.973 20 0 GHADHM FC(F)(F)c1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)ccc1OC1COC1 ZINC001213500795 1028228998 /nfs/dbraw/zinc/22/89/98/1028228998.db2.gz RIVWGINGSMNSRV-UHFFFAOYSA-N -1 3 386.717 3.577 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC001213655555 1028311806 /nfs/dbraw/zinc/31/18/06/1028311806.db2.gz GONRNQVODGPAMB-POYBYMJQSA-N -1 3 397.724 3.715 20 0 GHADHM CCCN(CCC)C(=O)c1cccc([N-]c2snnc2C(=O)OCC)c1 ZINC001213699138 1028338660 /nfs/dbraw/zinc/33/86/60/1028338660.db2.gz UJCFODLYJSXYOX-UHFFFAOYSA-N -1 3 376.482 3.721 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001213773052 1028372356 /nfs/dbraw/zinc/37/23/56/1028372356.db2.gz GVHTZHUVCRPFQY-SFHVURJKSA-N -1 3 393.480 3.637 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCOCC1 ZINC001213875362 1028423406 /nfs/dbraw/zinc/42/34/06/1028423406.db2.gz MDYQTNJCPNHSJX-UHFFFAOYSA-N -1 3 380.535 3.541 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC001213894358 1028436194 /nfs/dbraw/zinc/43/61/94/1028436194.db2.gz LZLDHHKQIPRTIH-GWCFXTLKSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC001214396273 1028714418 /nfs/dbraw/zinc/71/44/18/1028714418.db2.gz NBYBTCFWCKJRGG-ZDUSSCGKSA-N -1 3 386.839 3.766 20 0 GHADHM Nc1cnc(Nc2c(Cl)ccc([O-])c2F)c(I)c1 ZINC001214557974 1028793267 /nfs/dbraw/zinc/79/32/67/1028793267.db2.gz MTFAPZHVOJCVNP-UHFFFAOYSA-N -1 3 379.560 3.510 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)Nc1ccccc1-c1nnn[n-]1 ZINC001142396994 1028809543 /nfs/dbraw/zinc/80/95/43/1028809543.db2.gz ZFQDJKQJEQPRFO-UHFFFAOYSA-N -1 3 382.474 3.597 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)Nc1ccccc1-c1nn[n-]n1 ZINC001142396994 1028809558 /nfs/dbraw/zinc/80/95/58/1028809558.db2.gz ZFQDJKQJEQPRFO-UHFFFAOYSA-N -1 3 382.474 3.597 20 0 GHADHM CCN(CC)C(=O)c1cccc(Nc2ncc(Br)cc2[O-])c1F ZINC001215009178 1028992911 /nfs/dbraw/zinc/99/29/11/1028992911.db2.gz UENFHERGTWTLHN-UHFFFAOYSA-N -1 3 382.233 3.914 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OCOC)c(Cl)c1)OCC ZINC001215252994 1029114170 /nfs/dbraw/zinc/11/41/70/1029114170.db2.gz ANERXYHAPSBFOI-UHFFFAOYSA-N -1 3 397.859 3.504 20 0 GHADHM Cc1cc(-n2c(C)cc(C(=O)CSCc3cc(=O)[n-]c(C4CC4)n3)c2C)no1 ZINC000842194201 1029131599 /nfs/dbraw/zinc/13/15/99/1029131599.db2.gz ZCSBNEOPSBMOMW-UHFFFAOYSA-N -1 3 398.488 3.880 20 0 GHADHM COc1cccc([O-])c1-c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001215322447 1029151748 /nfs/dbraw/zinc/15/17/48/1029151748.db2.gz NXRSGZQODIFGAW-MRXNPFEDSA-N -1 3 392.390 3.989 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001142653085 1029211518 /nfs/dbraw/zinc/21/15/18/1029211518.db2.gz GVUJFBCLNPFJJF-IBGZPJMESA-N -1 3 398.890 3.534 20 0 GHADHM [O-]c1cccc(Nc2ccc(CN3CCOCC3)c(F)c2)c1Br ZINC001215545309 1029265920 /nfs/dbraw/zinc/26/59/20/1029265920.db2.gz SMGDDARPNJQFQC-UHFFFAOYSA-N -1 3 381.245 3.870 20 0 GHADHM Cc1ccc(Br)c(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)c1 ZINC001216014600 1029493266 /nfs/dbraw/zinc/49/32/66/1029493266.db2.gz QJCANGZYKZQHGR-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(Br)c(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)c1 ZINC001216014600 1029493272 /nfs/dbraw/zinc/49/32/72/1029493272.db2.gz QJCANGZYKZQHGR-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c(Cl)c1[O-] ZINC001276736613 1029580701 /nfs/dbraw/zinc/58/07/01/1029580701.db2.gz WNCYWUSDUOCKPP-HZPDHXFCSA-N -1 3 378.900 3.586 20 0 GHADHM [O-]c1cc(Br)cc(-c2nc(-c3cccnc3OC(F)F)no2)c1 ZINC001216383760 1029620717 /nfs/dbraw/zinc/62/07/17/1029620717.db2.gz XXLKZEHWRPLZDR-UHFFFAOYSA-N -1 3 384.136 3.868 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)[n-]n1 ZINC001142906053 1029667706 /nfs/dbraw/zinc/66/77/06/1029667706.db2.gz ZXHIUKKQUGEFDG-UHFFFAOYSA-N -1 3 393.403 3.754 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)[n-]n1 ZINC001142913922 1029685201 /nfs/dbraw/zinc/68/52/01/1029685201.db2.gz RXPQDOXHFAKHAB-HJWRWDBZSA-N -1 3 397.353 3.916 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)n[n-]1 ZINC001142913922 1029685208 /nfs/dbraw/zinc/68/52/08/1029685208.db2.gz RXPQDOXHFAKHAB-HJWRWDBZSA-N -1 3 397.353 3.916 20 0 GHADHM CCn1ncc2cc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)ccc21 ZINC001216592807 1029696081 /nfs/dbraw/zinc/69/60/81/1029696081.db2.gz XISJOIKQNOLEBQ-UHFFFAOYSA-N -1 3 385.276 3.746 20 0 GHADHM Cc1cc(C)c(N2CC[C@H](N3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)C2=O)c(C)c1 ZINC000842938552 1029700637 /nfs/dbraw/zinc/70/06/37/1029700637.db2.gz MYSWTHGVYXROAF-HKBOAZHASA-N -1 3 392.499 3.517 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1-c1cc(F)c([O-])cc1F ZINC001222082420 1029959315 /nfs/dbraw/zinc/95/93/15/1029959315.db2.gz DCPZIRYZNPBPTC-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM COc1ccc2c(cccc2-c2noc(-c3cccc(OCCO)c3[O-])n2)c1 ZINC001216959482 1030033490 /nfs/dbraw/zinc/03/34/90/1030033490.db2.gz RJRSVBNVNMZIRV-UHFFFAOYSA-N -1 3 378.384 3.642 20 0 GHADHM CCOC(=O)c1nn(-c2ccccc2C(=O)Nc2cc([O-])cc(Cl)c2)cc1C ZINC001149117999 1030069028 /nfs/dbraw/zinc/06/90/28/1030069028.db2.gz JFMQVCVDSVWWIM-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(C(=O)c1c([O-])c(C)nc3ccccc31)C2 ZINC001149195714 1030086522 /nfs/dbraw/zinc/08/65/22/1030086522.db2.gz IITYGCHRTMKNKB-UHFFFAOYSA-N -1 3 396.468 3.686 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1F ZINC001217019555 1030096394 /nfs/dbraw/zinc/09/63/94/1030096394.db2.gz XDHISXGSJNSFGZ-UHFFFAOYSA-N -1 3 399.350 3.516 20 0 GHADHM C[C@](CO)(Cc1ccccc1F)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001149795984 1030306883 /nfs/dbraw/zinc/30/68/83/1030306883.db2.gz HBKKLPRDVSUOSZ-XMMPIXPASA-N -1 3 393.458 3.846 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC001150206662 1030449495 /nfs/dbraw/zinc/44/94/95/1030449495.db2.gz CEWOJURARIOZSJ-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001150206662 1030449498 /nfs/dbraw/zinc/44/94/98/1030449498.db2.gz CEWOJURARIOZSJ-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001217637143 1030560547 /nfs/dbraw/zinc/56/05/47/1030560547.db2.gz OBCJTMPYNZWYDP-UHFFFAOYSA-N -1 3 389.415 3.667 20 0 GHADHM C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001218029011 1030731763 /nfs/dbraw/zinc/73/17/63/1030731763.db2.gz JDHPAFYAZWPINF-CXAGYDPISA-N -1 3 381.428 3.638 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3c(cccc3Br)s2)[n-]1 ZINC001151181271 1030795289 /nfs/dbraw/zinc/79/52/89/1030795289.db2.gz RHHIMWPKWHSBFP-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc3c(cccc3Br)s2)c[n-]1 ZINC001151181271 1030795299 /nfs/dbraw/zinc/79/52/99/1030795299.db2.gz RHHIMWPKWHSBFP-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1c2c(ccc1OC)CCC2=O ZINC001151372250 1030883649 /nfs/dbraw/zinc/88/36/49/1030883649.db2.gz HCJYZCZCLXKDFU-UHFFFAOYSA-N -1 3 392.411 3.734 20 0 GHADHM O=C(Nc1cc(Cl)nnc1Cl)c1nc2cc(Br)ccc2[n-]1 ZINC001151820961 1031018449 /nfs/dbraw/zinc/01/84/49/1031018449.db2.gz CDYUFIRZCNCJKG-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM O=C(Nc1cc(Cl)nnc1Cl)c1nc2ccc(Br)cc2[n-]1 ZINC001151820961 1031018466 /nfs/dbraw/zinc/01/84/66/1031018466.db2.gz CDYUFIRZCNCJKG-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM O=C(NC[C@@H]1CC(=O)c2ccccc2O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001151953426 1031059933 /nfs/dbraw/zinc/05/99/33/1031059933.db2.gz IZXMCVSLOPPZRV-KRWDZBQOSA-N -1 3 389.407 3.948 20 0 GHADHM O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc2oc(=S)[n-]c2c1 ZINC001152022812 1031078472 /nfs/dbraw/zinc/07/84/72/1031078472.db2.gz CSAKWEMMEICVGH-KRWDZBQOSA-N -1 3 381.501 3.901 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc3[nH]c(=S)[nH]c3c2)c([O-])c1 ZINC001152287027 1031174136 /nfs/dbraw/zinc/17/41/36/1031174136.db2.gz UATZOYAWBWPTPV-UHFFFAOYSA-N -1 3 385.445 3.765 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc2sc(N)nc2c1 ZINC001219250085 1031325509 /nfs/dbraw/zinc/32/55/09/1031325509.db2.gz KENZNXYEWDTUMG-UHFFFAOYSA-N -1 3 380.429 3.789 20 0 GHADHM COC(=O)c1c(C)sc(C)c1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001152845743 1031378075 /nfs/dbraw/zinc/37/80/75/1031378075.db2.gz WHEJOPRWGOFYSH-UHFFFAOYSA-N -1 3 392.383 3.524 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCc2ccccc2)c1)c1cnccc1Cl ZINC000311874175 1031385125 /nfs/dbraw/zinc/38/51/25/1031385125.db2.gz ZQNICKVFIIAVPY-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC001153020130 1031433166 /nfs/dbraw/zinc/43/31/66/1031433166.db2.gz PBDBQIHGQDIRMC-UHFFFAOYSA-N -1 3 384.215 3.893 20 0 GHADHM CC[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1cc(OC)c(OC)c(OC)c1 ZINC001225576806 1031487787 /nfs/dbraw/zinc/48/77/87/1031487787.db2.gz MIINVDCBENGHDY-NSHDSACASA-N -1 3 388.342 3.757 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001153414784 1031579515 /nfs/dbraw/zinc/57/95/15/1031579515.db2.gz LBTMANPESBQILY-UHFFFAOYSA-N -1 3 385.208 3.598 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001153460390 1031603669 /nfs/dbraw/zinc/60/36/69/1031603669.db2.gz FFPWALNSNAWQBH-CQSZACIVSA-N -1 3 396.624 3.528 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC001225902020 1031684391 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387.432 3.584 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1c([O-])ccc3ccc(=O)oc31)C2 ZINC001226594750 1032031116 /nfs/dbraw/zinc/03/11/16/1032031116.db2.gz AFTZCNIKBBPBFH-QDMKHBRRSA-N -1 3 387.432 3.808 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597544 1032034001 /nfs/dbraw/zinc/03/40/01/1032034001.db2.gz UZNZMZGVTHYOON-XJKSGUPXSA-N -1 3 389.448 3.913 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3ccc4c(=O)[n-][nH]c(=O)c4c3)c2)cs1 ZINC001154311093 1032036297 /nfs/dbraw/zinc/03/62/97/1032036297.db2.gz YBLWCWDTIULBME-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3ccc4c(=O)[nH][n-]c(=O)c4c3)c2)cs1 ZINC001154311093 1032036315 /nfs/dbraw/zinc/03/63/15/1032036315.db2.gz YBLWCWDTIULBME-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM C[C@H](Oc1cccc([O-])c1Br)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001229139445 1033302149 /nfs/dbraw/zinc/30/21/49/1033302149.db2.gz GSBYLZYAZKVKBI-KBXCAEBGSA-N -1 3 392.293 3.823 20 0 GHADHM Cc1nc(NC(=O)[N-]OCc2cccnc2)sc1Cc1ccc(F)cc1F ZINC001205301530 1033348461 /nfs/dbraw/zinc/34/84/61/1033348461.db2.gz JIEFYHJJXFNLRI-UHFFFAOYSA-N -1 3 390.415 3.969 20 0 GHADHM CC(=O)N1CCC[C@@H](Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229267158 1033380221 /nfs/dbraw/zinc/38/02/21/1033380221.db2.gz JJQZROLTVJKKAN-MRXNPFEDSA-N -1 3 379.412 3.555 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc(C(=O)OC(C)(C)C)c1 ZINC001157233115 1033486015 /nfs/dbraw/zinc/48/60/15/1033486015.db2.gz ILJRBFDUXBKXDE-SNVBAGLBSA-N -1 3 398.385 3.578 20 0 GHADHM CCn1c(CNCc2ccc([O-])c(F)c2)nc2cc(Br)ccc21 ZINC001205668070 1033520971 /nfs/dbraw/zinc/52/09/71/1033520971.db2.gz UCKJPOUGTFMLBH-UHFFFAOYSA-N -1 3 378.245 3.953 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc(=S)[n-]c3sccc32)[C@H](F)C1 ZINC001229564532 1033560368 /nfs/dbraw/zinc/56/03/68/1033560368.db2.gz FYAINPYZOHYTFN-GHMZBOCLSA-N -1 3 385.486 3.706 20 0 GHADHM O=c1oc2cc([O-])ccc2cc1Nc1ccc(C2(N3CCOCC3)CC2)cc1 ZINC001205798481 1033578811 /nfs/dbraw/zinc/57/88/11/1033578811.db2.gz LIOGGNOYDVGLHQ-UHFFFAOYSA-N -1 3 378.428 3.564 20 0 GHADHM COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000324212463 1033757580 /nfs/dbraw/zinc/75/75/80/1033757580.db2.gz VCKPYSWSGXHMSF-UHFFFAOYSA-N -1 3 380.775 3.750 20 0 GHADHM COC(=O)c1cnc(=O)[n-]c1O[C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001229869965 1033763867 /nfs/dbraw/zinc/76/38/67/1033763867.db2.gz DCTVGAXBPMACEM-CYBMUJFWSA-N -1 3 382.416 3.531 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)n1 ZINC001158345174 1034037566 /nfs/dbraw/zinc/03/75/66/1034037566.db2.gz KJIWHGRXYGPCOV-UHFFFAOYSA-N -1 3 381.436 3.577 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)n1 ZINC001158345174 1034037581 /nfs/dbraw/zinc/03/75/81/1034037581.db2.gz KJIWHGRXYGPCOV-UHFFFAOYSA-N -1 3 381.436 3.577 20 0 GHADHM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001158354470 1034040508 /nfs/dbraw/zinc/04/05/08/1034040508.db2.gz OJRJHIWHPSOISV-HUUCEWRRSA-N -1 3 382.410 3.805 20 0 GHADHM C[C@H](COCC1CCCCC1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001230418660 1034043016 /nfs/dbraw/zinc/04/30/16/1034043016.db2.gz PLUYQLSUWMTJHW-CYBMUJFWSA-N -1 3 399.329 3.939 20 0 GHADHM O=C(c1ccc(Cl)cc1)c1ccc([O-])c(O[C@@H]2[C@H]3C[C@H]4C(=O)O[C@H]2[C@H]4C3)c1 ZINC001230451913 1034066316 /nfs/dbraw/zinc/06/63/16/1034066316.db2.gz AMKFBVFTKKPWGZ-RSWIEMLOSA-N -1 3 384.815 3.605 20 0 GHADHM CCOc1ccc2cc(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)[nH]c2c1 ZINC001158782984 1034270153 /nfs/dbraw/zinc/27/01/53/1034270153.db2.gz DQPHZAUFRDZIQI-CTYIDZIISA-N -1 3 380.448 3.518 20 0 GHADHM Cc1ccc(CNCc2ncc(Br)cc2[O-])cc1Br ZINC001207439788 1034370841 /nfs/dbraw/zinc/37/08/41/1034370841.db2.gz JLHZBDAGUZYZBV-UHFFFAOYSA-N -1 3 386.087 3.910 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)c1ccc(Cl)cc1 ZINC001207688856 1034528938 /nfs/dbraw/zinc/52/89/38/1034528938.db2.gz OAKXOGIRYZXTPW-AWEZNQCLSA-N -1 3 380.822 3.718 20 0 GHADHM O=C(N[C@@H](CO)c1cc(F)ccc1F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001159440797 1034596582 /nfs/dbraw/zinc/59/65/82/1034596582.db2.gz PHAMJFYETHYEFF-NRFANRHFSA-N -1 3 397.421 3.919 20 0 GHADHM CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001231464857 1034609939 /nfs/dbraw/zinc/60/99/39/1034609939.db2.gz ZJTIASHRLXEMBE-GOSISDBHSA-N -1 3 398.528 3.817 20 0 GHADHM O=C(Cc1ccccc1)N1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231525369 1034676903 /nfs/dbraw/zinc/67/69/03/1034676903.db2.gz DGWWEMZIFLBDIQ-UHFFFAOYSA-N -1 3 392.421 3.688 20 0 GHADHM Cc1nc(CN2CCC3(CN(Cc4ccc([O-])c(C(F)(F)F)c4)C3)C2)cs1 ZINC001231523980 1034677020 /nfs/dbraw/zinc/67/70/20/1034677020.db2.gz DMHLPVIQFNGTMP-UHFFFAOYSA-N -1 3 397.466 3.884 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C(C)C)c(F)c1F ZINC001208044013 1034715917 /nfs/dbraw/zinc/71/59/17/1034715917.db2.gz URPHWFZMBHKQTI-IBGZPJMESA-N -1 3 397.443 3.720 20 0 GHADHM CCOC[C@@H]1CN(Cc2nc(C)ccc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001231671420 1034825724 /nfs/dbraw/zinc/82/57/24/1034825724.db2.gz ITFWACYPJHJGQE-IBGZPJMESA-N -1 3 384.524 3.618 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1nc(-c2ccccc2)cs1 ZINC001231684639 1034836429 /nfs/dbraw/zinc/83/64/29/1034836429.db2.gz KBJCGWOSBWLHQR-INIZCTEOSA-N -1 3 387.505 3.826 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1nc(-c2ccccc2)cs1 ZINC001231684639 1034836435 /nfs/dbraw/zinc/83/64/35/1034836435.db2.gz KBJCGWOSBWLHQR-INIZCTEOSA-N -1 3 387.505 3.826 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)ccc1Cl ZINC001231730670 1034867909 /nfs/dbraw/zinc/86/79/09/1034867909.db2.gz KKDJMAJLEBKWBQ-TZIWHRDSSA-N -1 3 388.895 3.891 20 0 GHADHM CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(Cl)c([O-])c3)C[C@H]12 ZINC001231738721 1034871942 /nfs/dbraw/zinc/87/19/42/1034871942.db2.gz SVKQSFOEVDWUPU-FCHUYYIVSA-N -1 3 384.907 3.810 20 0 GHADHM O=C1C[C@]2(CCN(Cc3ccc(Cl)c([O-])c3)C2)CN1c1ccc(F)c(F)c1 ZINC001231737053 1034872721 /nfs/dbraw/zinc/87/27/21/1034872721.db2.gz KGQSTYUZQBHYAJ-FQEVSTJZSA-N -1 3 392.833 3.953 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(C)C)cc1F ZINC001208376256 1034875702 /nfs/dbraw/zinc/87/57/02/1034875702.db2.gz XVZPPDDQJJFISA-LBPRGKRZSA-N -1 3 385.432 3.800 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC(Cc2ccc(F)cc2F)CC1 ZINC001231796075 1034914432 /nfs/dbraw/zinc/91/44/32/1034914432.db2.gz GPPDAZCXHALZHB-UHFFFAOYSA-N -1 3 375.415 3.883 20 0 GHADHM O=C(NCCNc1nc2ccccc2s1)c1cc([O-])cc(Br)c1 ZINC001160538135 1034997746 /nfs/dbraw/zinc/99/77/46/1034997746.db2.gz GBPFMJOIBBTYJW-UHFFFAOYSA-N -1 3 392.278 3.606 20 0 GHADHM Cc1sc(Br)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001160671198 1035030320 /nfs/dbraw/zinc/03/03/20/1035030320.db2.gz DYNQJVCLXNRJEJ-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM COC(=O)c1cc(C)c(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)o1 ZINC001160992552 1035114430 /nfs/dbraw/zinc/11/44/30/1035114430.db2.gz QTDXHOCCBOPGPR-UHFFFAOYSA-N -1 3 395.165 3.637 20 0 GHADHM CCCCOc1ccc(C(=O)NCCOc2ncccc2C(F)(F)F)c([O-])c1 ZINC001161021375 1035121930 /nfs/dbraw/zinc/12/19/30/1035121930.db2.gz QOXMCHYTOKASEE-UHFFFAOYSA-N -1 3 398.381 3.794 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)cc1F ZINC001208950240 1035122385 /nfs/dbraw/zinc/12/23/85/1035122385.db2.gz SVUAMTBJRYKZAE-UHFFFAOYSA-N -1 3 385.407 3.513 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)nn1-c1cccc(F)c1 ZINC001161092357 1035139359 /nfs/dbraw/zinc/13/93/59/1035139359.db2.gz KRRCASYMQHMZIV-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3C[C@]3(C)C(C)C)cs2)c1 ZINC001161141652 1035156897 /nfs/dbraw/zinc/15/68/97/1035156897.db2.gz DIYRWUBHMNWGEA-OXQOHEQNSA-N -1 3 387.505 3.503 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)c2c1=O ZINC001161521739 1035249543 /nfs/dbraw/zinc/24/95/43/1035249543.db2.gz SLWNPBYCIURRPP-KRWDZBQOSA-N -1 3 382.464 3.548 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001161553386 1035257189 /nfs/dbraw/zinc/25/71/89/1035257189.db2.gz KQQHCIRUXSIMDQ-DLBZAZTESA-N -1 3 385.464 3.886 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001248246407 1035693332 /nfs/dbraw/zinc/69/33/32/1035693332.db2.gz QAQHMFQKZYYNRN-HNNXBMFYSA-N -1 3 381.823 3.524 20 0 GHADHM COc1c(F)ccc(-c2noc([C@@H](N)Cc3ccc([O-])c(Cl)c3)n2)c1F ZINC001248248632 1035696177 /nfs/dbraw/zinc/69/61/77/1035696177.db2.gz ALJKILKLFJEUOT-LBPRGKRZSA-N -1 3 381.766 3.625 20 0 GHADHM S=c1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)n[n-]1 ZINC001243349273 1036124871 /nfs/dbraw/zinc/12/48/71/1036124871.db2.gz CZGNCAJVPOCEET-UHFFFAOYSA-N -1 3 379.489 3.792 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1C1=CC[C@H](OC(=O)c2ccccc2)CC1 ZINC001244802470 1036651708 /nfs/dbraw/zinc/65/17/08/1036651708.db2.gz GKFHSDDQCLABLU-KRWDZBQOSA-N -1 3 376.416 3.668 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1C1=CC[C@H](OC(=O)c2ccccc2)CC1 ZINC001244802470 1036651720 /nfs/dbraw/zinc/65/17/20/1036651720.db2.gz GKFHSDDQCLABLU-KRWDZBQOSA-N -1 3 376.416 3.668 20 0 GHADHM CCOC(=O)C=Cc1ccc(-c2cccnc2NC(=S)[N-]C(=O)OCC)cc1 ZINC001245129515 1036771306 /nfs/dbraw/zinc/77/13/06/1036771306.db2.gz AMIWCSFYZMRAEA-FMIVXFBMSA-N -1 3 399.472 3.768 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001245164151 1036793798 /nfs/dbraw/zinc/79/37/98/1036793798.db2.gz JVQUELZCXNYDFZ-UHFFFAOYSA-N -1 3 380.448 3.548 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001245164151 1036793808 /nfs/dbraw/zinc/79/38/08/1036793808.db2.gz JVQUELZCXNYDFZ-UHFFFAOYSA-N -1 3 380.448 3.548 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001278412804 1036964920 /nfs/dbraw/zinc/96/49/20/1036964920.db2.gz GJJMAPFCIYHFEY-TXEJJXNPSA-N -1 3 376.806 3.677 20 0 GHADHM Cc1ccc(OC(C)C)c(CN2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1 ZINC001232399599 1038183942 /nfs/dbraw/zinc/18/39/42/1038183942.db2.gz UVIRBPFOBUKEHX-KRWDZBQOSA-N -1 3 376.497 3.798 20 0 GHADHM CSc1nc(Cl)cc(N2CCCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC001232789755 1038556510 /nfs/dbraw/zinc/55/65/10/1038556510.db2.gz RLCIPINFDNZEBC-UHFFFAOYSA-N -1 3 399.347 3.923 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H](F)C(F)(F)C2)cc1I ZINC001232869006 1038636761 /nfs/dbraw/zinc/63/67/61/1038636761.db2.gz ZIWKPOXRLQLCAO-GFCCVEGCSA-N -1 3 385.167 3.566 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)c(F)c2)cc1 ZINC001252198094 1038902656 /nfs/dbraw/zinc/90/26/56/1038902656.db2.gz LDOPBIUVWUSXIT-UHFFFAOYSA-N -1 3 379.453 3.740 20 0 GHADHM CC[C@H]1N(Cc2c(F)ccc([O-])c2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233394600 1039226682 /nfs/dbraw/zinc/22/66/82/1039226682.db2.gz SZMBUBZIRMRFME-NQIIRXRSSA-N -1 3 378.463 3.816 20 0 GHADHM O=C1OC[C@@H]2[C@H](N(Cc3ccccc3)Cc3c(F)ccc([O-])c3F)CCCN12 ZINC001233396178 1039230641 /nfs/dbraw/zinc/23/06/41/1039230641.db2.gz NZJKZROGRAIQGB-QZTJIDSGSA-N -1 3 388.414 3.656 20 0 GHADHM COc1ccc(CN2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398107 1039232866 /nfs/dbraw/zinc/23/28/66/1039232866.db2.gz YTGTWTRKJZMTLA-CQSZACIVSA-N -1 3 384.904 3.933 20 0 GHADHM COc1ccc(CN(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398749 1039235214 /nfs/dbraw/zinc/23/52/14/1039235214.db2.gz XQMKNFWNSHSPIJ-AWEZNQCLSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233400037 1039238734 /nfs/dbraw/zinc/23/87/34/1039238734.db2.gz TXBKJFSPKDCZKL-CYBMUJFWSA-N -1 3 384.904 3.791 20 0 GHADHM CCC(C)(C)CCNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001234317347 1039967222 /nfs/dbraw/zinc/96/72/22/1039967222.db2.gz WKLLVHHLSPFUSC-CQSZACIVSA-N -1 3 385.430 3.632 20 0 GHADHM [O-]c1cc(O)c(-c2nnc(-c3cccc(F)c3)o2)cc1I ZINC001254216817 1040072728 /nfs/dbraw/zinc/07/27/28/1040072728.db2.gz DRQMDCSBSQYXLJ-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCCN([C@@H](C)c3ccccn3)C2)c1C(C)=O ZINC001234793194 1040324497 /nfs/dbraw/zinc/32/44/97/1040324497.db2.gz NILVZABMSRDMKG-RDJZCZTQSA-N -1 3 384.476 3.911 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2F)cc1C ZINC001256072836 1041508509 /nfs/dbraw/zinc/50/85/09/1041508509.db2.gz JSMKUDQHAXHTKP-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2OC(F)(F)F)c1ccc(F)cc1F ZINC001256098747 1041525644 /nfs/dbraw/zinc/52/56/44/1041525644.db2.gz WWKLUWBSBCILFG-ZDUSSCGKSA-N -1 3 393.333 3.829 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1F ZINC001256103230 1041530700 /nfs/dbraw/zinc/53/07/00/1041530700.db2.gz ZFWDNZQUVFDUJB-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(C(F)(F)F)cc21)c1ccc(F)cc1F ZINC001256118981 1041552918 /nfs/dbraw/zinc/55/29/18/1041552918.db2.gz QZCLRJTVBCMNEG-CQSZACIVSA-N -1 3 377.334 3.949 20 0 GHADHM CCOC(=O)[C@H]1CN(Cc2ccc(Br)c([O-])c2)C[C@H]2CCCC[C@@H]12 ZINC001236684242 1041830781 /nfs/dbraw/zinc/83/07/81/1041830781.db2.gz OTTPBWFJVRYXIK-OAGGEKHMSA-N -1 3 396.325 3.956 20 0 GHADHM COC(=O)[C@H]1CCN(Cc2ccc(Br)c([O-])c2)[C@H]1c1ccccc1 ZINC001236696953 1041837730 /nfs/dbraw/zinc/83/77/30/1041837730.db2.gz ATSZVBYRPIHWEV-YJBOKZPZSA-N -1 3 390.277 3.891 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c([O-])c2)[C@H](C(F)(F)F)C1 ZINC001236713235 1041849348 /nfs/dbraw/zinc/84/93/48/1041849348.db2.gz NRTMPMWEDYFEBR-AWEZNQCLSA-N -1 3 378.366 3.515 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2sc(=O)[n-]c2Cl)[C@H]2CCCC=C21 ZINC001237156940 1042068886 /nfs/dbraw/zinc/06/88/86/1042068886.db2.gz XZKSELJCYAPRTQ-NSHDSACASA-N -1 3 385.917 3.991 20 0 GHADHM CN(C[C@@H]1CCCN(Cc2sc(=O)[n-]c2Cl)C1)C(=O)OC(C)(C)C ZINC001237162445 1042072501 /nfs/dbraw/zinc/07/25/01/1042072501.db2.gz URVFRFNWZGPYFH-NSHDSACASA-N -1 3 375.922 3.581 20 0 GHADHM CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1occc1[S-] ZINC001237186239 1042083628 /nfs/dbraw/zinc/08/36/28/1042083628.db2.gz LXOXXQQTTAXMGA-OAHLLOKOSA-N -1 3 391.489 3.638 20 0 GHADHM CC1(C)N(Cc2cc(Cl)nc(Cl)c2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001237523093 1042249299 /nfs/dbraw/zinc/24/92/99/1042249299.db2.gz ONADLKZBUDYHCY-IBGZPJMESA-N -1 3 393.270 3.935 20 0 GHADHM [NH3+]C1(c2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2)CCC1 ZINC001237699357 1042330782 /nfs/dbraw/zinc/33/07/82/1042330782.db2.gz LANMWRDYAJGEIB-UHFFFAOYSA-N -1 3 387.288 3.838 20 0 GHADHM O=S(=O)([N-]c1ccccc1C1=CC[NH2+]CC1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001237827674 1042389647 /nfs/dbraw/zinc/38/96/47/1042389647.db2.gz CGFMJEBRYYMWLH-UHFFFAOYSA-N -1 3 399.299 3.877 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001238137431 1042501140 /nfs/dbraw/zinc/50/11/40/1042501140.db2.gz KCHWGLRFARWEIA-NRFANRHFSA-N -1 3 392.499 3.531 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c2cc(C)ccc21 ZINC001238234320 1042527513 /nfs/dbraw/zinc/52/75/13/1042527513.db2.gz GYQBYYAFWYWMDX-UHFFFAOYSA-N -1 3 396.462 3.733 20 0 GHADHM CN1CCN(Cc2c(Br)ccc([O-])c2F)[C@H](c2ccccc2)C1 ZINC001238306015 1042549364 /nfs/dbraw/zinc/54/93/64/1042549364.db2.gz WJAWGEGIAPHYLS-INIZCTEOSA-N -1 3 379.273 3.783 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1OCC(=O)N(C)C ZINC001291713520 1043411788 /nfs/dbraw/zinc/41/17/88/1043411788.db2.gz NDLUJVNXXRKYQX-LJQANCHMSA-N -1 3 398.503 3.864 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001256790858 1043654051 /nfs/dbraw/zinc/65/40/51/1043654051.db2.gz YFUOYFFRDGOENC-UHFFFAOYSA-N -1 3 394.924 3.788 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC001292432848 1043732028 /nfs/dbraw/zinc/73/20/28/1043732028.db2.gz KVOPBTFJZLTJPG-OAHLLOKOSA-N -1 3 386.253 3.762 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC001292432848 1043732035 /nfs/dbraw/zinc/73/20/35/1043732035.db2.gz KVOPBTFJZLTJPG-OAHLLOKOSA-N -1 3 386.253 3.762 20 0 GHADHM COc1cccc([O-])c1C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001292897830 1043935222 /nfs/dbraw/zinc/93/52/22/1043935222.db2.gz QRQSEPRKTYTIDG-KRWDZBQOSA-N -1 3 388.895 3.839 20 0 GHADHM O=S(=O)([N-]CC1(c2ncccc2F)CC1)c1cccc(Cl)c1Cl ZINC001257306570 1043961217 /nfs/dbraw/zinc/96/12/17/1043961217.db2.gz OTAAVLNVEIVTNM-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM COc1cccnc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC001257307012 1043962198 /nfs/dbraw/zinc/96/21/98/1043962198.db2.gz WNTCBAKVZQESSF-OAHLLOKOSA-N -1 3 387.288 3.827 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccccc2Br)c1F ZINC001257384293 1043977123 /nfs/dbraw/zinc/97/71/23/1043977123.db2.gz PMFNSZCFNCZZSQ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nnc(-c3cccnc3)o2)c1 ZINC001257629361 1044093145 /nfs/dbraw/zinc/09/31/45/1044093145.db2.gz GNMHXEJQUISZNU-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC001257791327 1044174336 /nfs/dbraw/zinc/17/43/36/1044174336.db2.gz REFLYMHPXOUAKU-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001293471061 1044200008 /nfs/dbraw/zinc/20/00/08/1044200008.db2.gz SOJXXJBNYQBHOI-UHFFFAOYSA-N -1 3 391.414 3.999 20 0 GHADHM COc1ccccc1C1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCC1 ZINC001293502351 1044216770 /nfs/dbraw/zinc/21/67/70/1044216770.db2.gz YOARQQOPBSBLFB-UHFFFAOYSA-N -1 3 384.382 3.624 20 0 GHADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1[O-] ZINC001293506216 1044219478 /nfs/dbraw/zinc/21/94/78/1044219478.db2.gz ZKXSPZJHGDABQI-CQSZACIVSA-N -1 3 382.357 3.554 20 0 GHADHM CCN(CCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OC(C)(C)C ZINC001462818796 1070569871 /nfs/dbraw/zinc/56/98/71/1070569871.db2.gz WEWDPDWFWHGPTI-UHFFFAOYSA-N -1 3 396.962 3.635 20 0 GHADHM O=C(NC[C@@H]1SCCc2ccccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294122758 1044481692 /nfs/dbraw/zinc/48/16/92/1044481692.db2.gz XFNBORKNDILXKT-KRWDZBQOSA-N -1 3 386.423 3.567 20 0 GHADHM O=C(NC[C@H]1SCCc2ccccc21)c1cc([O-])cc(Br)c1 ZINC001294121076 1044481850 /nfs/dbraw/zinc/48/18/50/1044481850.db2.gz DAJKSNKPMJYSOX-MRXNPFEDSA-N -1 3 378.291 3.915 20 0 GHADHM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1 ZINC001279085246 1044484958 /nfs/dbraw/zinc/48/49/58/1044484958.db2.gz ZHDINWMPMACZEQ-HNNXBMFYSA-N -1 3 393.314 3.866 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(-c2ccccc2)c1 ZINC001258449280 1044568125 /nfs/dbraw/zinc/56/81/25/1044568125.db2.gz PPDZOHWZYADENX-UHFFFAOYSA-N -1 3 375.881 3.527 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001462850012 1070595796 /nfs/dbraw/zinc/59/57/96/1070595796.db2.gz QDMLMRDJJTYHAN-DGCLKSJQSA-N -1 3 399.406 3.598 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC001258915756 1044871315 /nfs/dbraw/zinc/87/13/15/1044871315.db2.gz GLHIZPSAKAPVHL-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)c1sccc1S(=O)(=O)[N-]c1cnc2ccccc2c1Cl ZINC001259005782 1044924016 /nfs/dbraw/zinc/92/40/16/1044924016.db2.gz JFLIEJBUCGUSSV-UHFFFAOYSA-N -1 3 382.850 3.537 20 0 GHADHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(CC2CC2)CCC(F)(F)CC1 ZINC001259015449 1044926628 /nfs/dbraw/zinc/92/66/28/1044926628.db2.gz HQJXNSHCQILCQC-UHFFFAOYSA-N -1 3 393.477 3.561 20 0 GHADHM O=S(=O)([N-]CCc1coc2ccccc12)c1ccc(Br)s1 ZINC001259060421 1044942249 /nfs/dbraw/zinc/94/22/49/1044942249.db2.gz SSNSFZGSLAHVLM-UHFFFAOYSA-N -1 3 386.292 3.778 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Cl)c1ccc(F)c(F)c1F ZINC001259073808 1044948903 /nfs/dbraw/zinc/94/89/03/1044948903.db2.gz WVKIHBDRCQSMMK-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1cccc2cnccc21 ZINC001259157072 1044982381 /nfs/dbraw/zinc/98/23/81/1044982381.db2.gz HPFMGJXUSPHTJQ-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC001259167091 1044987520 /nfs/dbraw/zinc/98/75/20/1044987520.db2.gz VFBVSAHEFZMADE-UHFFFAOYSA-N -1 3 388.533 3.751 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1Cl ZINC001259177190 1044993893 /nfs/dbraw/zinc/99/38/93/1044993893.db2.gz ICXVAISZLDKHES-UHFFFAOYSA-N -1 3 381.837 3.555 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2c(F)cccc2OC[C@@H]2CCCO2)cc1 ZINC001259265141 1045052139 /nfs/dbraw/zinc/05/21/39/1045052139.db2.gz CCWWFLFWWQBEEQ-INIZCTEOSA-N -1 3 379.453 3.634 20 0 GHADHM Cc1c(Br)cnc(Cl)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259306820 1045068571 /nfs/dbraw/zinc/06/85/71/1045068571.db2.gz WBFUPZBZESIULJ-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC001259370328 1045106170 /nfs/dbraw/zinc/10/61/70/1045106170.db2.gz LKOQWDACJAQSIG-UHFFFAOYSA-N -1 3 399.806 3.841 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c2ncccc2c1)c1ccc(-n2cccn2)cc1 ZINC001259370926 1045107591 /nfs/dbraw/zinc/10/75/91/1045107591.db2.gz WCIDEJAOUDUUTL-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM O=S(=O)([N-]c1ccccc1CN1CCCC1)c1cccc(OC(F)F)c1 ZINC001259445211 1045160302 /nfs/dbraw/zinc/16/03/02/1045160302.db2.gz SMQIQPSDDITURZ-UHFFFAOYSA-N -1 3 382.432 3.685 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[n-]n1 ZINC001295911817 1045185215 /nfs/dbraw/zinc/18/52/15/1045185215.db2.gz BEWBDXUYZNTJDC-AWEZNQCLSA-N -1 3 379.416 3.659 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)n[n-]1 ZINC001295911817 1045185225 /nfs/dbraw/zinc/18/52/25/1045185225.db2.gz BEWBDXUYZNTJDC-AWEZNQCLSA-N -1 3 379.416 3.659 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)cc(F)cc21)c1cccc(Cl)c1F ZINC001259473126 1045186228 /nfs/dbraw/zinc/18/62/28/1045186228.db2.gz HAHSHAJBKZHNSU-GFCCVEGCSA-N -1 3 377.771 3.559 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1F)c1cc(F)c(F)c(F)c1 ZINC001259500438 1045205489 /nfs/dbraw/zinc/20/54/89/1045205489.db2.gz UDUBGJJRRGEVPL-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cccc(Cl)c1)c1ccc(Cl)cc1F ZINC001259513373 1045214715 /nfs/dbraw/zinc/21/47/15/1045214715.db2.gz IFYKUOIFNYDNNV-CQSZACIVSA-N -1 3 378.252 3.535 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1cccc2ccccc21 ZINC001259621963 1045248151 /nfs/dbraw/zinc/24/81/51/1045248151.db2.gz HZCCYZPDFMTCFV-IBGZPJMESA-N -1 3 375.490 3.554 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1cncc(OCc2ccccc2)c1 ZINC001259768011 1045294505 /nfs/dbraw/zinc/29/45/05/1045294505.db2.gz UICXMZOKDANZJW-UHFFFAOYSA-N -1 3 386.448 3.784 20 0 GHADHM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259855671 1045320127 /nfs/dbraw/zinc/32/01/27/1045320127.db2.gz MLKBYQQQCUGDEO-UHFFFAOYSA-N -1 3 385.272 3.881 20 0 GHADHM Cc1ccc(I)cc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC001296569504 1045339130 /nfs/dbraw/zinc/33/91/30/1045339130.db2.gz UCURTLZXWQWDAG-UHFFFAOYSA-N -1 3 395.122 3.594 20 0 GHADHM Cc1ccc(I)cc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC001296569504 1045339137 /nfs/dbraw/zinc/33/91/37/1045339137.db2.gz UCURTLZXWQWDAG-UHFFFAOYSA-N -1 3 395.122 3.594 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1Br ZINC001260010459 1045353949 /nfs/dbraw/zinc/35/39/49/1045353949.db2.gz JCQUAWAKSORJFK-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cnc2cc(C3CC3)nn2c1 ZINC001260028328 1045363192 /nfs/dbraw/zinc/36/31/92/1045363192.db2.gz KUIVOFUWFJTVPZ-UHFFFAOYSA-N -1 3 396.394 3.567 20 0 GHADHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC001260244571 1045425176 /nfs/dbraw/zinc/42/51/76/1045425176.db2.gz CXQJQXQZRJMYGV-UHFFFAOYSA-N -1 3 378.469 3.969 20 0 GHADHM Cc1ccc([C@@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001297057125 1045437369 /nfs/dbraw/zinc/43/73/69/1045437369.db2.gz GWIIESPFLHOAEW-QHCPKHFHSA-N -1 3 375.468 3.949 20 0 GHADHM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260279351 1045440655 /nfs/dbraw/zinc/44/06/55/1045440655.db2.gz YZDJOLUNCVVQLJ-UHFFFAOYSA-N -1 3 388.610 3.824 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1ccc(Br)cc1F ZINC001260382161 1045484637 /nfs/dbraw/zinc/48/46/37/1045484637.db2.gz UTUVSMYFSAQJFG-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ncccc12)c1ccc(Br)cc1F ZINC001260381968 1045484649 /nfs/dbraw/zinc/48/46/49/1045484649.db2.gz JWHIVHCOAOVSSJ-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CCOc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1O ZINC001260473746 1045510151 /nfs/dbraw/zinc/51/01/51/1045510151.db2.gz JOUFLJYFSOMLCK-UHFFFAOYSA-N -1 3 382.290 3.638 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C)COC3)cc2)cc1 ZINC001260577108 1045565134 /nfs/dbraw/zinc/56/51/34/1045565134.db2.gz HKCXBPSNKHZQPS-UHFFFAOYSA-N -1 3 375.490 3.954 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(F)c2)cc1C ZINC001260638527 1045584678 /nfs/dbraw/zinc/58/46/78/1045584678.db2.gz MWBQZGPGUOEXIT-UHFFFAOYSA-N -1 3 395.452 3.501 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2C(F)(F)F)C2CC2)s1 ZINC001260689549 1045608328 /nfs/dbraw/zinc/60/83/28/1045608328.db2.gz OVXGVNVVKHOPAQ-ZDUSSCGKSA-N -1 3 376.425 3.900 20 0 GHADHM CN(C)C(=O)Nc1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001298047243 1045686070 /nfs/dbraw/zinc/68/60/70/1045686070.db2.gz JOKNDQKZFMQJGV-UHFFFAOYSA-N -1 3 384.823 3.527 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)c(F)c1 ZINC001462954621 1070687810 /nfs/dbraw/zinc/68/78/10/1070687810.db2.gz SBWWPQMDGSSCCE-IBGZPJMESA-N -1 3 391.464 3.822 20 0 GHADHM O=S(=O)([N-]c1ncc(F)cc1Br)c1ccc2c(c1)CCCC2 ZINC001260978057 1045794249 /nfs/dbraw/zinc/79/42/49/1045794249.db2.gz AQKAGJSNVDUWNG-UHFFFAOYSA-N -1 3 385.258 3.663 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(F)cc1Cl ZINC001260982999 1045798298 /nfs/dbraw/zinc/79/82/98/1045798298.db2.gz UHPSJVXDSUMLSU-UHFFFAOYSA-N -1 3 397.855 3.945 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(O)cc1 ZINC001261011694 1045831369 /nfs/dbraw/zinc/83/13/69/1045831369.db2.gz CBGAROYKFJGOSE-JTQLQIEISA-N -1 3 377.359 3.632 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1F ZINC001261011436 1045831481 /nfs/dbraw/zinc/83/14/81/1045831481.db2.gz UONLDKQNKUYVTA-UHFFFAOYSA-N -1 3 383.313 3.910 20 0 GHADHM COc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1F ZINC001261012678 1045833550 /nfs/dbraw/zinc/83/35/50/1045833550.db2.gz RCUAZYSRBINWFZ-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccn2)CCC1)c1ccc(F)cc1C(F)(F)F ZINC001261014241 1045837315 /nfs/dbraw/zinc/83/73/15/1045837315.db2.gz UUIYPSQPDODSTD-UHFFFAOYSA-N -1 3 388.386 3.683 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261014800 1045838099 /nfs/dbraw/zinc/83/80/99/1045838099.db2.gz QFFWWCJQCRXNHJ-CQSZACIVSA-N -1 3 391.361 3.819 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ncc(Br)s1 ZINC001298515004 1045846468 /nfs/dbraw/zinc/84/64/68/1045846468.db2.gz XGZZVRFNXQRMPJ-UHFFFAOYSA-N -1 3 392.072 3.934 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1C ZINC001261064202 1045882927 /nfs/dbraw/zinc/88/29/27/1045882927.db2.gz SOUTTXPXGDNPFZ-NSHDSACASA-N -1 3 387.910 3.844 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC001261082577 1045898030 /nfs/dbraw/zinc/89/80/30/1045898030.db2.gz OPNNAHKTZCNBCW-UHFFFAOYSA-N -1 3 393.679 3.688 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(C)(C)C)c(F)c1 ZINC001462992888 1070714405 /nfs/dbraw/zinc/71/44/05/1070714405.db2.gz UXGMFJLORLFPNS-CABCVRRESA-N -1 3 385.501 3.743 20 0 GHADHM O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001298791999 1045948268 /nfs/dbraw/zinc/94/82/68/1045948268.db2.gz IUYPTFQPRXBNNH-UHFFFAOYSA-N -1 3 387.395 3.763 20 0 GHADHM Cc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)sc1-c1ccccc1 ZINC001298800169 1045951958 /nfs/dbraw/zinc/95/19/58/1045951958.db2.gz NOFMZJLQOKOCNG-UHFFFAOYSA-N -1 3 393.468 3.872 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3[n-]nc4cc(C)n(C)c(=O)c43)cs2)cc1 ZINC001299777327 1046030709 /nfs/dbraw/zinc/03/07/09/1046030709.db2.gz XFYYGAMTAXTVSE-UHFFFAOYSA-N -1 3 393.472 3.508 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1sc3ccccc3c1Br)C2 ZINC001301717276 1046672589 /nfs/dbraw/zinc/67/25/89/1046672589.db2.gz ZVAAYJQMFJOKLL-UHFFFAOYSA-N -1 3 390.262 3.624 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 ZINC001301791939 1046707294 /nfs/dbraw/zinc/70/72/94/1046707294.db2.gz JGNXUBYDLHCJDV-LBPRGKRZSA-N -1 3 397.884 3.607 20 0 GHADHM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001301894921 1046749016 /nfs/dbraw/zinc/74/90/16/1046749016.db2.gz JUXBNOPMDMVPJM-NSHDSACASA-N -1 3 386.253 3.680 20 0 GHADHM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001301894921 1046749030 /nfs/dbraw/zinc/74/90/30/1046749030.db2.gz JUXBNOPMDMVPJM-NSHDSACASA-N -1 3 386.253 3.680 20 0 GHADHM CC1(C)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H]1c1ccco1 ZINC001302247518 1046886518 /nfs/dbraw/zinc/88/65/18/1046886518.db2.gz YKEDLFKNTATJOH-HNNXBMFYSA-N -1 3 382.869 3.528 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001302445175 1046942165 /nfs/dbraw/zinc/94/21/65/1046942165.db2.gz JQSDIHVGEKKPLA-HNNXBMFYSA-N -1 3 387.785 3.819 20 0 GHADHM O=C(/C=C/c1cccs1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302618381 1047008442 /nfs/dbraw/zinc/00/84/42/1047008442.db2.gz RJCIDFFQLKGYEH-SBDDDAINSA-N -1 3 394.418 3.960 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCCc3nc(CC)sc32)c1 ZINC001263767850 1047101776 /nfs/dbraw/zinc/10/17/76/1047101776.db2.gz HDLNFZUBBFSKRM-HNNXBMFYSA-N -1 3 385.489 3.685 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001303256063 1047326076 /nfs/dbraw/zinc/32/60/76/1047326076.db2.gz BGGFEXVKBISFPO-UHFFFAOYSA-N -1 3 396.447 3.563 20 0 GHADHM O=C(C=Cc1ccccc1C(F)(F)F)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256349 1047326673 /nfs/dbraw/zinc/32/66/73/1047326673.db2.gz HFKSSXWNEHQMFS-FPLPWBNLSA-N -1 3 375.350 3.634 20 0 GHADHM CC(C)OC(=O)c1ccc(Cl)c([N-]C(=O)c2ncoc2-c2ccon2)c1 ZINC001264934031 1047517030 /nfs/dbraw/zinc/51/70/30/1047517030.db2.gz VHTCSZBDIQQOCY-UHFFFAOYSA-N -1 3 375.768 3.801 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccccc3-c3ccccc3)CC2)n1 ZINC001303984715 1047553870 /nfs/dbraw/zinc/55/38/70/1047553870.db2.gz VTAWFJGSURLNSH-UHFFFAOYSA-N -1 3 388.471 3.556 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1F ZINC001304214473 1047616458 /nfs/dbraw/zinc/61/64/58/1047616458.db2.gz ZVGILHDKGYFRKY-UHFFFAOYSA-N -1 3 395.412 3.668 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c([O-])c(OC)c1 ZINC001304506248 1047695604 /nfs/dbraw/zinc/69/56/04/1047695604.db2.gz WMLRNCUQYZUBPS-NXEZZACHSA-N -1 3 381.837 3.645 20 0 GHADHM O=C(CCCOc1cccc(F)c1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304565417 1047714091 /nfs/dbraw/zinc/71/40/91/1047714091.db2.gz GOKKUAZAPBGAGC-UHFFFAOYSA-N -1 3 397.406 3.704 20 0 GHADHM O=C(CCCOc1cccc(F)c1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304565417 1047714093 /nfs/dbraw/zinc/71/40/93/1047714093.db2.gz GOKKUAZAPBGAGC-UHFFFAOYSA-N -1 3 397.406 3.704 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304565451 1047714199 /nfs/dbraw/zinc/71/41/99/1047714199.db2.gz IAJLLAPKLQWANI-CQSZACIVSA-N -1 3 381.407 3.723 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304565451 1047714202 /nfs/dbraw/zinc/71/42/02/1047714202.db2.gz IAJLLAPKLQWANI-CQSZACIVSA-N -1 3 381.407 3.723 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1csc(-c2cccs2)n1 ZINC001304814715 1047779821 /nfs/dbraw/zinc/77/98/21/1047779821.db2.gz ROADEDWRCJKOML-HAQNSBGRSA-N -1 3 386.502 3.823 20 0 GHADHM Cc1ccsc1CN1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001279779956 1047948178 /nfs/dbraw/zinc/94/81/78/1047948178.db2.gz UDGXPSRLIBWSIS-BLVKFPJESA-N -1 3 385.514 3.975 20 0 GHADHM Cn1nccc1C[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001305889906 1048286659 /nfs/dbraw/zinc/28/66/59/1048286659.db2.gz FZPQSAMTKSWXLV-NRFANRHFSA-N -1 3 389.499 3.758 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1cncc(Cl)n1 ZINC001287668428 1048872260 /nfs/dbraw/zinc/87/22/60/1048872260.db2.gz DIAAKZFCDJVJFE-UHFFFAOYSA-N -1 3 386.260 3.691 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)C3(c4ccc(F)cc4)CCCC3)c2c1=O ZINC001306864642 1048933940 /nfs/dbraw/zinc/93/39/40/1048933940.db2.gz WYYVNEBPCNJRSD-UHFFFAOYSA-N -1 3 382.439 3.643 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c[nH]c3ccc(Br)cc23)c(=O)[n-]1 ZINC001306893795 1048947773 /nfs/dbraw/zinc/94/77/73/1048947773.db2.gz IUOWZJYPINZBFZ-UHFFFAOYSA-N -1 3 389.253 3.614 20 0 GHADHM COc1cc(Cl)c(F)cc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001306901862 1048952533 /nfs/dbraw/zinc/95/25/33/1048952533.db2.gz OFGLFHBDWJVLNC-UHFFFAOYSA-N -1 3 382.725 3.860 20 0 GHADHM COC(=O)c1nc(C(=O)[N-]c2c(F)cc(Cl)cc2Br)cs1 ZINC001288052627 1048973376 /nfs/dbraw/zinc/97/33/76/1048973376.db2.gz KCNXYRCMPBMKGH-UHFFFAOYSA-N -1 3 393.621 3.737 20 0 GHADHM O=c1cc(CS(=O)(=O)c2cccc3ccccc32)nc(-c2ccccc2)[n-]1 ZINC001307399889 1049246512 /nfs/dbraw/zinc/24/65/12/1049246512.db2.gz SELGNEIMJSPCBK-UHFFFAOYSA-N -1 3 376.437 3.976 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001289754361 1049616234 /nfs/dbraw/zinc/61/62/34/1049616234.db2.gz NFGIXNAPCIMZSA-UHFFFAOYSA-N -1 3 393.443 3.805 20 0 GHADHM O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001289966588 1049699541 /nfs/dbraw/zinc/69/95/41/1049699541.db2.gz GNIRKHZVLPFJJO-UHFFFAOYSA-N -1 3 399.447 3.736 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccc(Cl)cc2Cl)c([O-])c1 ZINC001290659408 1049895228 /nfs/dbraw/zinc/89/52/28/1049895228.db2.gz NTFCYTXKOOJRCX-UHFFFAOYSA-N -1 3 395.286 3.786 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@@H]2CCCC[C@@H]12 ZINC001290811943 1049929682 /nfs/dbraw/zinc/92/96/82/1049929682.db2.gz AQKXREXWYSWPNJ-HACGYAERSA-N -1 3 384.929 3.752 20 0 GHADHM O=C(NCCC1CCCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001290824403 1049933585 /nfs/dbraw/zinc/93/35/85/1049933585.db2.gz VMGNGMCMYKBWRM-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC001290874646 1049942173 /nfs/dbraw/zinc/94/21/73/1049942173.db2.gz AJSRLRAQQXJJIV-UHFFFAOYSA-N -1 3 399.285 3.739 20 0 GHADHM C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC001308583188 1050019559 /nfs/dbraw/zinc/01/95/59/1050019559.db2.gz JPXXFYXYAKBHRA-CYBMUJFWSA-N -1 3 388.468 3.522 20 0 GHADHM CCOc1ccccc1CN1CCN(Cc2ccc([O-])c(F)c2F)[C@@H](C)C1 ZINC001308715510 1050068802 /nfs/dbraw/zinc/06/88/02/1050068802.db2.gz XVJQZXHPYQISLL-HNNXBMFYSA-N -1 3 376.447 3.775 20 0 GHADHM O=C([O-])[C@H]1CN(C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1c1ccc(F)cc1F ZINC001327369251 1050169377 /nfs/dbraw/zinc/16/93/77/1050169377.db2.gz UWTXMLDKSUJQGE-VKJFTORMSA-N -1 3 399.796 3.591 20 0 GHADHM O=S(=O)([N-]CCCOc1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001309023562 1050282027 /nfs/dbraw/zinc/28/20/27/1050282027.db2.gz CHTNRBAIOAXHDP-UHFFFAOYSA-N -1 3 394.802 3.501 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC001309062090 1050314284 /nfs/dbraw/zinc/31/42/84/1050314284.db2.gz YSIJERRCGUZCGX-HNNXBMFYSA-N -1 3 381.519 3.991 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)c(F)c1 ZINC001309112319 1050367482 /nfs/dbraw/zinc/36/74/82/1050367482.db2.gz PGIPCKLVIVGEKC-KRWDZBQOSA-N -1 3 391.464 3.703 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1ccc(Br)cc1F ZINC001309186116 1050445308 /nfs/dbraw/zinc/44/53/08/1050445308.db2.gz VYSRFKQVYRHOIA-MRXNPFEDSA-N -1 3 398.297 3.888 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001328407431 1050498039 /nfs/dbraw/zinc/49/80/39/1050498039.db2.gz ZYPMPKVTNBPJKX-LBPRGKRZSA-N -1 3 385.470 3.991 20 0 GHADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)o1 ZINC001309260403 1050530294 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383.485 3.558 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1Cl ZINC001309758303 1050958665 /nfs/dbraw/zinc/95/86/65/1050958665.db2.gz LFNDUBDNWIFCOG-UHFFFAOYSA-N -1 3 398.189 3.572 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1F)c1sc2ccccc2c1Cl ZINC001309800077 1050979923 /nfs/dbraw/zinc/97/99/23/1050979923.db2.gz JMXPRSMMXOYPRS-UHFFFAOYSA-N -1 3 397.880 3.996 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001309841052 1050999772 /nfs/dbraw/zinc/99/97/72/1050999772.db2.gz VWWIVLOMCYILIO-INIZCTEOSA-N -1 3 375.918 3.517 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 ZINC001309869900 1051014718 /nfs/dbraw/zinc/01/47/18/1051014718.db2.gz HUXJJOBMKGVDSK-SFHVURJKSA-N -1 3 393.480 3.637 20 0 GHADHM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)O1 ZINC001309927271 1051050266 /nfs/dbraw/zinc/05/02/66/1051050266.db2.gz QXHNYKGVHKIMJH-JTQLQIEISA-N -1 3 396.734 3.729 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1nc(C(F)(F)F)n[n-]1 ZINC001310360296 1051306867 /nfs/dbraw/zinc/30/68/67/1051306867.db2.gz ZIAJNSMKUNDHHL-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM CN(c1ccccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1)C1CCCC1 ZINC001310434502 1051355087 /nfs/dbraw/zinc/35/50/87/1051355087.db2.gz MHJPJDVQQYUHNK-UHFFFAOYSA-N -1 3 391.479 3.813 20 0 GHADHM CN(c1ccccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1)C1CCCC1 ZINC001310434502 1051355093 /nfs/dbraw/zinc/35/50/93/1051355093.db2.gz MHJPJDVQQYUHNK-UHFFFAOYSA-N -1 3 391.479 3.813 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)[N-]OC2CCOCC2)c2ccccc21 ZINC001333467828 1051746008 /nfs/dbraw/zinc/74/60/08/1051746008.db2.gz SOLLVEFXKVLACN-OAHLLOKOSA-N -1 3 390.480 3.532 20 0 GHADHM CCn1cc(Br)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)n1 ZINC001336567598 1052288938 /nfs/dbraw/zinc/28/89/38/1052288938.db2.gz BSFGXROSZFYIPO-UHFFFAOYSA-N -1 3 384.303 3.817 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001337076929 1052394051 /nfs/dbraw/zinc/39/40/51/1052394051.db2.gz PQPZBPSNEMGPGR-UHFFFAOYSA-N -1 3 395.912 3.808 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccnc(-c4cccc(Cl)c4)n3)CC2)n1 ZINC001337281508 1052440315 /nfs/dbraw/zinc/44/03/15/1052440315.db2.gz YLVCDSKHVVKVPZ-UHFFFAOYSA-N -1 3 396.882 3.682 20 0 GHADHM O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001342817999 1053371807 /nfs/dbraw/zinc/37/18/07/1053371807.db2.gz JTBIYZZWZRIRII-UHFFFAOYSA-N -1 3 377.313 3.684 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3C3CCC3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001343544006 1053861130 /nfs/dbraw/zinc/86/11/30/1053861130.db2.gz NEJADUPIFJUJNU-QGZVFWFLSA-N -1 3 396.520 3.628 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2cc(F)cc(F)c2Br)s1 ZINC001343710412 1053980860 /nfs/dbraw/zinc/98/08/60/1053980860.db2.gz UIUFFKPAAGNRKU-UHFFFAOYSA-N -1 3 391.193 3.613 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001317803056 1054261428 /nfs/dbraw/zinc/26/14/28/1054261428.db2.gz DCOUJDHRGDLXHC-FQEVSTJZSA-N -1 3 381.863 3.982 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001318476866 1054665738 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20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001321956702 1056458138 /nfs/dbraw/zinc/45/81/38/1056458138.db2.gz IJSLCPOHNJQPNC-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM Cn1ccc(C2CCN(c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)n1 ZINC001354268650 1056487261 /nfs/dbraw/zinc/48/72/61/1056487261.db2.gz PVHZBFVQPAGWQU-UHFFFAOYSA-N -1 3 396.516 3.605 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nnc(-c2ccccc2F)o1 ZINC001322062298 1056497372 /nfs/dbraw/zinc/49/73/72/1056497372.db2.gz BDWANVDLSCLEQQ-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC001322159261 1056545296 /nfs/dbraw/zinc/54/52/96/1056545296.db2.gz QHEDJNFCIXJDLL-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC001322159261 1056545313 /nfs/dbraw/zinc/54/53/13/1056545313.db2.gz QHEDJNFCIXJDLL-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848140066 1056745344 /nfs/dbraw/zinc/74/53/44/1056745344.db2.gz JZAWYQXUHFRPLN-JTQLQIEISA-N -1 3 390.814 3.876 20 0 GHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SCC(F)(F)F)co1 ZINC001354647203 1056856682 /nfs/dbraw/zinc/85/66/82/1056856682.db2.gz PCQJDYDETFPVSW-UHFFFAOYSA-N -1 3 379.381 3.590 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC001323083518 1056919940 /nfs/dbraw/zinc/91/99/40/1056919940.db2.gz JULRCSQFGJXWIL-IBGZPJMESA-N -1 3 391.475 3.567 20 0 GHADHM O=C([N-]c1c(F)cc(F)cc1F)c1cn(-c2ccc(Br)cc2)nn1 ZINC001323332221 1056954344 /nfs/dbraw/zinc/95/43/44/1056954344.db2.gz INYDNGCYNGTRMQ-UHFFFAOYSA-N -1 3 397.154 3.699 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001323553288 1056984796 /nfs/dbraw/zinc/98/47/96/1056984796.db2.gz RSJUTQNUJPSKAO-FQEVSTJZSA-N -1 3 375.472 3.566 20 0 GHADHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(C)(C)C ZINC001355091711 1057047021 /nfs/dbraw/zinc/04/70/21/1057047021.db2.gz KQFUVHSWQALNKX-GFCCVEGCSA-N -1 3 392.240 3.635 20 0 GHADHM COc1ccc(-c2nc(CNC[C@@H](CC(=O)[O-])c3ccncc3)cs2)cc1 ZINC001355417906 1057152040 /nfs/dbraw/zinc/15/20/40/1057152040.db2.gz SQJYALUOGJQUFX-MRXNPFEDSA-N -1 3 383.473 3.562 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 ZINC001325025087 1057265043 /nfs/dbraw/zinc/26/50/43/1057265043.db2.gz DTZLHNMEIMZJNP-UHFFFAOYSA-N -1 3 388.489 3.630 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1CCCc1ccccc1 ZINC001356269433 1057454518 /nfs/dbraw/zinc/45/45/18/1057454518.db2.gz GUUXMXYGWLRPQK-GOSISDBHSA-N -1 3 392.507 3.761 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001326741102 1057546068 /nfs/dbraw/zinc/54/60/68/1057546068.db2.gz FVPXANDNAKUZSX-UHFFFAOYSA-N -1 3 388.399 3.798 20 0 GHADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1cccc(Cl)c1 ZINC001439909153 1058343608 /nfs/dbraw/zinc/34/36/08/1058343608.db2.gz XTDSCGARHQRFHU-OAHLLOKOSA-N -1 3 385.769 3.992 20 0 GHADHM Cc1cccc2sc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)nc21 ZINC001440657833 1058562935 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CCCN(C(=O)c1cccc(CC)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443624845 1059162219 /nfs/dbraw/zinc/16/22/19/1059162219.db2.gz OECMYZBCSPUPBS-MRXNPFEDSA-N -1 3 376.497 3.816 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001339614359 1059347189 /nfs/dbraw/zinc/34/71/89/1059347189.db2.gz RAOAHYIVVBYICW-UHFFFAOYSA-N -1 3 379.382 3.638 20 0 GHADHM COc1cccc([C@@H](O)CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC001445795943 1059621073 /nfs/dbraw/zinc/62/10/73/1059621073.db2.gz HGMOAXZFZJJZKG-NRFANRHFSA-N -1 3 379.412 3.657 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c([O-])c1 ZINC001446278024 1059742247 /nfs/dbraw/zinc/74/22/47/1059742247.db2.gz SLCCXMCKTPHTOA-CYBMUJFWSA-N -1 3 390.842 3.843 20 0 GHADHM CCOC(=O)c1c(NC(=O)c2ccc(C(C)=O)c([O-])c2)sc2c1CCCC2 ZINC001447805013 1060037117 /nfs/dbraw/zinc/03/71/17/1060037117.db2.gz BNECVFQRRHYSPD-UHFFFAOYSA-N -1 3 387.457 3.964 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC001447807718 1060040059 /nfs/dbraw/zinc/04/00/59/1060040059.db2.gz ZXLVBGAESBVFJP-LBPRGKRZSA-N -1 3 376.266 3.977 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3cc(C(C)(C)C)ccc32)c([O-])c1 ZINC001448095222 1060101373 /nfs/dbraw/zinc/10/13/73/1060101373.db2.gz KVZUXXOESWYUPY-UHFFFAOYSA-N -1 3 380.488 3.707 20 0 GHADHM O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc2sccc2c([O-])c1 ZINC001448245515 1060141850 /nfs/dbraw/zinc/14/18/50/1060141850.db2.gz IINQKHSWLNBVPN-HNNXBMFYSA-N -1 3 381.457 3.643 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001449188730 1060348538 /nfs/dbraw/zinc/34/85/38/1060348538.db2.gz ITMQNUHNCKJIFN-HUUCEWRRSA-N -1 3 383.492 3.868 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001449188735 1060351556 /nfs/dbraw/zinc/35/15/56/1060351556.db2.gz ITMQNUHNCKJIFN-LSDHHAIUSA-N -1 3 383.492 3.868 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1nc2ccccc2cc1Br ZINC001450049794 1060512521 /nfs/dbraw/zinc/51/25/21/1060512521.db2.gz HYUOGEGNQKPVNZ-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM C=C=CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC001450165414 1060546008 /nfs/dbraw/zinc/54/60/08/1060546008.db2.gz BDYARVUPQNTATK-UHFFFAOYSA-N -1 3 394.855 3.659 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1noc(C(F)(F)F)n1 ZINC001452060147 1060892064 /nfs/dbraw/zinc/89/20/64/1060892064.db2.gz CDRGOOJYVICJPW-LLVKDONJSA-N -1 3 391.349 3.876 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC001453553798 1061155495 /nfs/dbraw/zinc/15/54/95/1061155495.db2.gz JWAJAAJSSSVSEH-UHFFFAOYSA-N -1 3 394.431 3.959 20 0 GHADHM O=C(CCCCc1ccc(I)cc1)[N-]OCC1CCC1 ZINC001453731660 1061188921 /nfs/dbraw/zinc/18/89/21/1061188921.db2.gz CPRYBTCTNBGPBH-UHFFFAOYSA-N -1 3 387.261 3.852 20 0 GHADHM Cc1nc(-c2nnc(N(CC3CC3)C3CCC3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001342271971 1061194763 /nfs/dbraw/zinc/19/47/63/1061194763.db2.gz QKXLDXVDWAXYKS-UHFFFAOYSA-N -1 3 390.491 3.566 20 0 GHADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454932333 1061958420 /nfs/dbraw/zinc/95/84/20/1061958420.db2.gz PYRJPRSCONYTTJ-DZKIICNBSA-N -1 3 380.410 3.622 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1F ZINC001545775408 1061993691 /nfs/dbraw/zinc/99/36/91/1061993691.db2.gz XGXLITIPSPAPLE-HXUWFJFHSA-N -1 3 395.386 3.968 20 0 GHADHM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc(O)cc1[O-] ZINC001545781591 1061996420 /nfs/dbraw/zinc/99/64/20/1061996420.db2.gz KXWWXXWGVQSXED-UHFFFAOYSA-N -1 3 378.158 3.936 20 0 GHADHM CN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1c1ccc(F)cc1 ZINC001545813680 1062017830 /nfs/dbraw/zinc/01/78/30/1062017830.db2.gz MBQYZGANKQLUPF-NVXWUHKLSA-N -1 3 382.357 3.725 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455390966 1062122970 /nfs/dbraw/zinc/12/29/70/1062122970.db2.gz XOFOBQMEPMTNDH-UHFFFAOYSA-N -1 3 375.881 3.981 20 0 GHADHM CC(C)(C)Oc1cccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001455467769 1062168844 /nfs/dbraw/zinc/16/88/44/1062168844.db2.gz DRSWAJPNCYZOBW-UHFFFAOYSA-N -1 3 386.398 3.914 20 0 GHADHM O=C([N-]n1cnc2ccccc2c1=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001347752234 1062625019 /nfs/dbraw/zinc/62/50/19/1062625019.db2.gz KCEHBVXKOGLDFH-UHFFFAOYSA-N -1 3 393.349 3.851 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001456476021 1062704595 /nfs/dbraw/zinc/70/45/95/1062704595.db2.gz IITKZBDXUUCNHQ-KSFYIVLOSA-N -1 3 388.508 3.864 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001456613694 1062781295 /nfs/dbraw/zinc/78/12/95/1062781295.db2.gz AINOFNHYQNSCAR-KBPBESRZSA-N -1 3 394.537 3.737 20 0 GHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cc(C(F)(F)F)ncn1 ZINC001456943445 1062926460 /nfs/dbraw/zinc/92/64/60/1062926460.db2.gz GDZQJXIZRKOOBX-UHFFFAOYSA-N -1 3 382.086 3.788 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1oc(C2CC2)nc1C(F)F ZINC001348139692 1062935561 /nfs/dbraw/zinc/93/55/61/1062935561.db2.gz INOOPRQHBPHAMX-UHFFFAOYSA-N -1 3 387.180 3.888 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)Cc2cccc(F)c2)c(C(=O)OCC)[n-]1 ZINC001435886709 1062982131 /nfs/dbraw/zinc/98/21/31/1062982131.db2.gz GZCDGTCAQSVRNJ-CYBMUJFWSA-N -1 3 375.444 3.885 20 0 GHADHM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457164807 1062995122 /nfs/dbraw/zinc/99/51/22/1062995122.db2.gz HUUBUTJOVQVJGQ-XJKSGUPXSA-N -1 3 376.526 3.921 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)Cc3ccc4c(c3)COC4)n[n-]2)cc1 ZINC001457169705 1062996051 /nfs/dbraw/zinc/99/60/51/1062996051.db2.gz TUGXAGZFCAONIZ-UHFFFAOYSA-N -1 3 380.473 3.617 20 0 GHADHM COCC[C@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccccc21 ZINC001457198873 1063018089 /nfs/dbraw/zinc/01/80/89/1063018089.db2.gz YLTYQPPWDVODTI-CYBMUJFWSA-N -1 3 398.409 3.977 20 0 GHADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001457515587 1063219769 /nfs/dbraw/zinc/21/97/69/1063219769.db2.gz GZYHPZOHSKLVTD-ZDUSSCGKSA-N -1 3 391.472 3.580 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)c([O-])c1 ZINC001457575480 1063259202 /nfs/dbraw/zinc/25/92/02/1063259202.db2.gz DJGSWWYRYAVHQV-HNNXBMFYSA-N -1 3 388.533 3.809 20 0 GHADHM COc1ccccc1-c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC001436652128 1063596870 /nfs/dbraw/zinc/59/68/70/1063596870.db2.gz WAAQWMUBVDOALJ-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM COc1ccccc1-c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC001436652128 1063596878 /nfs/dbraw/zinc/59/68/78/1063596878.db2.gz WAAQWMUBVDOALJ-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM COC(OC)[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1ccccc1 ZINC001437249845 1063794076 /nfs/dbraw/zinc/79/40/76/1063794076.db2.gz BFPJGDBNVXPJEH-CQSZACIVSA-N -1 3 384.810 3.612 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CC2)c2ccccc2N=C3C)c1 ZINC001349968306 1063955649 /nfs/dbraw/zinc/95/56/49/1063955649.db2.gz CBMGNAZUDXRUBD-UHFFFAOYSA-N -1 3 389.455 3.797 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@H](C)c3cccc(C(F)(F)F)c3)n2C)cc(=O)[n-]1 ZINC001350482212 1064102013 /nfs/dbraw/zinc/10/20/13/1064102013.db2.gz SFOFTLBPZGZJJI-SNVBAGLBSA-N -1 3 392.385 3.502 20 0 GHADHM Cc1ncc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)n1-c1ccccc1 ZINC001350611078 1064140535 /nfs/dbraw/zinc/14/05/35/1064140535.db2.gz NVQQBBWTMPWKDJ-UXHICEINSA-N -1 3 397.425 3.759 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001463419110 1064332752 /nfs/dbraw/zinc/33/27/52/1064332752.db2.gz BECQYFGHWGDCAJ-APPDUMDISA-N -1 3 389.851 3.981 20 0 GHADHM COC(=O)[C@]1([N-]C(=O)C(F)(F)c2ccccc2F)CC[C@H](C)c2ccccc21 ZINC001463443808 1064354950 /nfs/dbraw/zinc/35/49/50/1064354950.db2.gz JIQUBKYDECCLKF-RBZFPXEDSA-N -1 3 391.389 4.000 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1 ZINC001546139567 1064418242 /nfs/dbraw/zinc/41/82/42/1064418242.db2.gz KXHAXZONXGADTE-KUHUBIRLSA-N -1 3 380.444 3.749 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c(F)cc1F ZINC001463559704 1064460372 /nfs/dbraw/zinc/46/03/72/1064460372.db2.gz BXVJJXPOALMOGE-RBUKOAKNSA-N -1 3 395.471 3.935 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cnc(-c2ccccc2)s1 ZINC001463678403 1064546812 /nfs/dbraw/zinc/54/68/12/1064546812.db2.gz JIHNUYDEEWSLRN-UHFFFAOYSA-N -1 3 385.514 3.605 20 0 GHADHM CC(C)([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001463693160 1064553451 /nfs/dbraw/zinc/55/34/51/1064553451.db2.gz PKCWGMMNUOASAI-HSZRJFAPSA-N -1 3 392.974 3.840 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCCc3ccc(C)cc32)c1 ZINC001463821950 1064648746 /nfs/dbraw/zinc/64/87/46/1064648746.db2.gz SVCMTWXWEWRPAZ-KRWDZBQOSA-N -1 3 391.464 3.585 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC001463881611 1064691154 /nfs/dbraw/zinc/69/11/54/1064691154.db2.gz MSZNBCQUDYQIEU-SFHVURJKSA-N -1 3 394.562 3.668 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)s1 ZINC001463954331 1064738137 /nfs/dbraw/zinc/73/81/37/1064738137.db2.gz HBQDNSOMDACBLF-LLVKDONJSA-N -1 3 395.937 3.676 20 0 GHADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001464061722 1064795297 /nfs/dbraw/zinc/79/52/97/1064795297.db2.gz ZXCNJXOYNDFQKD-UHFFFAOYSA-N -1 3 397.859 3.926 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OC(F)(F)O2)c1c(Cl)cccc1Cl ZINC001464154648 1064867407 /nfs/dbraw/zinc/86/74/07/1064867407.db2.gz AKFOMLKDQQIRMA-UHFFFAOYSA-N -1 3 396.198 3.793 20 0 GHADHM Cc1nonc1C(=O)[N-]c1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001464306978 1064949934 /nfs/dbraw/zinc/94/99/34/1064949934.db2.gz ZHKIHUYHFCIKOC-UHFFFAOYSA-N -1 3 384.339 3.576 20 0 GHADHM CCCNC(=O)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001464335227 1064960209 /nfs/dbraw/zinc/96/02/09/1064960209.db2.gz DIDQJZWUQMGRGO-UHFFFAOYSA-N -1 3 383.835 3.574 20 0 GHADHM CCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c([O-])c1 ZINC001464347389 1064964909 /nfs/dbraw/zinc/96/49/09/1064964909.db2.gz HPUYANYPPPAJLE-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@](C)(CCc2ccccc2)C1 ZINC001352308766 1064973088 /nfs/dbraw/zinc/97/30/88/1064973088.db2.gz NLCLTHYNZDDWMF-QFIPXVFZSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2sccc2Br)c(F)c1F ZINC001464377904 1064978387 /nfs/dbraw/zinc/97/83/87/1064978387.db2.gz JXPPICBSFRRRGD-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM CN(C)[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC001464486198 1065040895 /nfs/dbraw/zinc/04/08/95/1065040895.db2.gz WVULTVULIWWMJN-AWEZNQCLSA-N -1 3 394.846 3.654 20 0 GHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001464527181 1065064976 /nfs/dbraw/zinc/06/49/76/1065064976.db2.gz CBRPCINJNNLEJK-PSASIEDQSA-N -1 3 386.233 3.935 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCS1 ZINC001464654670 1065140941 /nfs/dbraw/zinc/14/09/41/1065140941.db2.gz PWDJZCOPFYNZTC-VIFPVBQESA-N -1 3 387.420 3.677 20 0 GHADHM O=C(Nc1ccc(-c2ncon2)cc1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001464708344 1065167877 /nfs/dbraw/zinc/16/78/77/1065167877.db2.gz QXQXBMFGLJSGFZ-UHFFFAOYSA-N -1 3 388.383 3.674 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC001300073612 1065199793 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20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC001465380566 1065576338 /nfs/dbraw/zinc/57/63/38/1065576338.db2.gz XDMDUMYSSBUUQJ-QGZVFWFLSA-N -1 3 382.489 3.780 20 0 GHADHM CCCc1sc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1Br ZINC001300194682 1065632499 /nfs/dbraw/zinc/63/24/99/1065632499.db2.gz MOOKKWNFFXWKLQ-VIFPVBQESA-N -1 3 384.299 3.522 20 0 GHADHM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1c(Cl)cnn1C ZINC001200245732 1065726413 /nfs/dbraw/zinc/72/64/13/1065726413.db2.gz DKBBDOLYTUFHQA-UHFFFAOYSA-N -1 3 385.917 3.961 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@](C)(O)c1ccccc1 ZINC001300227834 1065764302 /nfs/dbraw/zinc/76/43/02/1065764302.db2.gz JMNGCGKVXAKDHV-HXPMCKFVSA-N -1 3 391.493 3.516 20 0 GHADHM O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000847626833 1065784835 /nfs/dbraw/zinc/78/48/35/1065784835.db2.gz SQIATIGOERZWQC-UHFFFAOYSA-N -1 3 394.393 3.620 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H](C)N3CCc4ccccc43)c2)n1 ZINC000847651636 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O=C(NC[C@H]1C[C@H]1C1CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001472412582 1073473812 /nfs/dbraw/zinc/47/38/12/1073473812.db2.gz IJSQKSUTZZVOHU-OCCSQVGLSA-N -1 3 389.293 3.847 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c([O-])c1 ZINC001472468762 1073502341 /nfs/dbraw/zinc/50/23/41/1073502341.db2.gz GRJMKYDZJMUCDB-UHFFFAOYSA-N -1 3 379.460 3.746 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nnc(C3CCCCC3)s1)c2=O ZINC001472483619 1073505786 /nfs/dbraw/zinc/50/57/86/1073505786.db2.gz HONSXIYYEOJXKP-UHFFFAOYSA-N -1 3 384.461 3.688 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(Oc3ccccn3)c1)c2=O ZINC001472518923 1073527984 /nfs/dbraw/zinc/52/79/84/1073527984.db2.gz HQASLJONTAEEDN-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C(F)(F)c3cccc(Br)c3)n[n-]2)o1 ZINC001472526793 1073531232 /nfs/dbraw/zinc/53/12/32/1073531232.db2.gz UPSXANMDMKVSCZ-UHFFFAOYSA-N -1 3 397.179 3.866 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)c[n-]c12 ZINC001472526073 1073531505 /nfs/dbraw/zinc/53/15/05/1073531505.db2.gz VIGNJTUIGUNBAS-UHFFFAOYSA-N -1 3 380.354 3.757 20 0 GHADHM O=C(CCCn1cnc2ccccc21)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001472549498 1073546205 /nfs/dbraw/zinc/54/62/05/1073546205.db2.gz ZLCSDTZQYZNVJN-UHFFFAOYSA-N -1 3 396.838 3.599 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001472607201 1073572120 /nfs/dbraw/zinc/57/21/20/1073572120.db2.gz DFQYSKXLIJHNCS-AWEZNQCLSA-N -1 3 380.485 3.556 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)n1 ZINC001472877067 1073707675 /nfs/dbraw/zinc/70/76/75/1073707675.db2.gz ALHMQNUDTPJVAU-CQSZACIVSA-N -1 3 384.528 3.566 20 0 GHADHM CC(C)(CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC001479442944 1079207474 /nfs/dbraw/zinc/20/74/74/1079207474.db2.gz ZQYDLCXPRRQLET-CYBMUJFWSA-N -1 3 397.441 3.805 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CNCc2ccc([O-])c(F)c2F)cc1 ZINC001474593630 1074475889 /nfs/dbraw/zinc/47/58/89/1074475889.db2.gz CXJWVIVXCUJNAE-UHFFFAOYSA-N -1 3 378.419 3.985 20 0 GHADHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001474864267 1074599179 /nfs/dbraw/zinc/59/91/79/1074599179.db2.gz QSQLMKJFYQETKT-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC001474877686 1074607931 /nfs/dbraw/zinc/60/79/31/1074607931.db2.gz OBFDNNDZTVBUJG-XJKSGUPXSA-N -1 3 382.888 3.593 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccccc1Cl ZINC001474967664 1074657909 /nfs/dbraw/zinc/65/79/09/1074657909.db2.gz RIWIUXFLAHQXPJ-CYBMUJFWSA-N -1 3 395.834 3.768 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001475015555 1074684393 /nfs/dbraw/zinc/68/43/93/1074684393.db2.gz OBFPWILPTXAFGB-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)c1cccc(C)c1C ZINC001475221696 1074792030 /nfs/dbraw/zinc/79/20/30/1074792030.db2.gz HNIPNOGVQGPMCP-GOSISDBHSA-N -1 3 381.538 3.653 20 0 GHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)[C@H]1C ZINC001475250894 1074804955 /nfs/dbraw/zinc/80/49/55/1074804955.db2.gz BQTCOLNCOGYWGH-WOPDTQHZSA-N -1 3 378.307 3.939 20 0 GHADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2sc(Br)cc2C)cc1 ZINC001475322742 1074833130 /nfs/dbraw/zinc/83/31/30/1074833130.db2.gz MOGROPKFHTWNDE-UHFFFAOYSA-N -1 3 386.336 3.983 20 0 GHADHM O=S(=O)([N-]Cc1ccsc1C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC001475557287 1074913965 /nfs/dbraw/zinc/91/39/65/1074913965.db2.gz WAWZWVHDQXLDMK-UHFFFAOYSA-N -1 3 390.330 3.659 20 0 GHADHM O=S(=O)([N-][C@H](Cc1cccnc1)C1CCCC1)c1cccc(Cl)c1F ZINC001475609687 1074926292 /nfs/dbraw/zinc/92/62/92/1074926292.db2.gz OORZENVQTOPOPZ-MRXNPFEDSA-N -1 3 382.888 3.954 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C)C[C@H](C)CC(C)(C)C2)c(F)c1 ZINC001475644692 1074991670 /nfs/dbraw/zinc/99/16/70/1074991670.db2.gz RDTIOESOJKZSDX-BFUOFWGJSA-N -1 3 385.501 3.886 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001475661216 1074995120 /nfs/dbraw/zinc/99/51/20/1074995120.db2.gz UBYPWIKLCLBXHP-JOYOIKCWSA-N -1 3 392.226 3.772 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C(C2CCCC2)C2CCCC2)c1 ZINC001475711283 1075005389 /nfs/dbraw/zinc/00/53/89/1075005389.db2.gz RXGYYPJLLFMJPS-UHFFFAOYSA-N -1 3 397.512 3.948 20 0 GHADHM O=S(=O)([N-]CC[C@H]1OCCc2ccccc21)c1c(Cl)cccc1Cl ZINC001475720112 1075007984 /nfs/dbraw/zinc/00/79/84/1075007984.db2.gz FNQRTBWIKJSNPH-MRXNPFEDSA-N -1 3 386.300 3.976 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001475771803 1075018522 /nfs/dbraw/zinc/01/85/22/1075018522.db2.gz FKDAQFQTSNEISU-PTOFAABTSA-N -1 3 394.718 3.578 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001475833122 1075030716 /nfs/dbraw/zinc/03/07/16/1075030716.db2.gz FIMPMWBAKYKAFS-ZETCQYMHSA-N -1 3 397.279 3.647 20 0 GHADHM Cc1nc(CN[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])sc1Br ZINC001600702371 1126220163 /nfs/dbraw/zinc/22/01/63/1126220163.db2.gz VIYNXYCPRRXSBY-OAHLLOKOSA-N -1 3 387.274 3.529 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1nsc2ccccc12 ZINC001601659619 1126224404 /nfs/dbraw/zinc/22/44/04/1126224404.db2.gz QDFPQBYDNJNIDR-CQSZACIVSA-N -1 3 396.390 3.980 20 0 GHADHM COc1ccccc1-c1nc(CN[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])co1 ZINC001607335035 1126233699 /nfs/dbraw/zinc/23/36/99/1126233699.db2.gz CRKZDVFQANGBLL-OAQYLSRUSA-N -1 3 384.407 3.665 20 0 GHADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000005603158 206217826 /nfs/dbraw/zinc/21/78/26/206217826.db2.gz BLMBTOMJECPRBT-UHFFFAOYSA-N -1 3 399.343 3.936 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000737447959 598832673 /nfs/dbraw/zinc/83/26/73/598832673.db2.gz IFEYBYZRMNLEIU-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000737447959 598832674 /nfs/dbraw/zinc/83/26/74/598832674.db2.gz IFEYBYZRMNLEIU-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(Cl)cc2)c1C ZINC000737503376 598840342 /nfs/dbraw/zinc/84/03/42/598840342.db2.gz INPBORSDXPLEIQ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737335412 598851535 /nfs/dbraw/zinc/85/15/35/598851535.db2.gz UIVQDTLLGFGEDS-GOSISDBHSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737335412 598851536 /nfs/dbraw/zinc/85/15/36/598851536.db2.gz UIVQDTLLGFGEDS-GOSISDBHSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1nc(C)c(F)c(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000737475046 598853947 /nfs/dbraw/zinc/85/39/47/598853947.db2.gz ZCXDHSDMLPEVMA-UHFFFAOYSA-N -1 3 381.440 3.753 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(COc2ccc(-c3nc(-c4ccncc4)no3)cc2)c1 ZINC000738421763 598860635 /nfs/dbraw/zinc/86/06/35/598860635.db2.gz FVWOCELVYQAMKH-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(COc2ccc(-c3nc(-c4ccncc4)no3)cc2)c1 ZINC000738421763 598860637 /nfs/dbraw/zinc/86/06/37/598860637.db2.gz FVWOCELVYQAMKH-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737539609 598866133 /nfs/dbraw/zinc/86/61/33/598866133.db2.gz SUJPWYWCBIUHFB-GFCCVEGCSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737539609 598866135 /nfs/dbraw/zinc/86/61/35/598866135.db2.gz SUJPWYWCBIUHFB-GFCCVEGCSA-N -1 3 388.431 3.630 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735664612 598866846 /nfs/dbraw/zinc/86/68/46/598866846.db2.gz LRDPMENKZGSKAP-UHFFFAOYSA-N -1 3 391.519 3.965 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735664612 598866847 /nfs/dbraw/zinc/86/68/47/598866847.db2.gz LRDPMENKZGSKAP-UHFFFAOYSA-N -1 3 391.519 3.965 20 0 GHADHM CC1CCC(Oc2cc(CNc3ncc(-c4nnn[n-]4)cc3Cl)ccn2)CC1 ZINC000736245701 598870008 /nfs/dbraw/zinc/87/00/08/598870008.db2.gz UYUXNOOTDVGDGK-UHFFFAOYSA-N -1 3 399.886 3.880 20 0 GHADHM CC1CCC(Oc2cc(CNc3ncc(-c4nn[n-]n4)cc3Cl)ccn2)CC1 ZINC000736245701 598870009 /nfs/dbraw/zinc/87/00/09/598870009.db2.gz UYUXNOOTDVGDGK-UHFFFAOYSA-N -1 3 399.886 3.880 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895438 598881088 /nfs/dbraw/zinc/88/10/88/598881088.db2.gz JHWILQJYRYULIM-AUUYWEPGSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895438 598881090 /nfs/dbraw/zinc/88/10/90/598881090.db2.gz JHWILQJYRYULIM-AUUYWEPGSA-N -1 3 393.491 3.729 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@@H](C)c1ccccc1F ZINC000736037867 598883171 /nfs/dbraw/zinc/88/31/71/598883171.db2.gz PMBKBGWMEGCUQZ-ZIAGYGMSSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@@H](C)c1ccccc1F ZINC000736037867 598883172 /nfs/dbraw/zinc/88/31/72/598883172.db2.gz PMBKBGWMEGCUQZ-ZIAGYGMSSA-N -1 3 384.411 3.510 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C(=O)C(C)(C)C ZINC000737280862 598905226 /nfs/dbraw/zinc/90/52/26/598905226.db2.gz UNIIYNQUQCOOPI-UHFFFAOYSA-N -1 3 379.420 3.521 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736269874 598908595 /nfs/dbraw/zinc/90/85/95/598908595.db2.gz YOYYZQTZDSEETO-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736269874 598908597 /nfs/dbraw/zinc/90/85/97/598908597.db2.gz YOYYZQTZDSEETO-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM CC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000736363409 598919925 /nfs/dbraw/zinc/91/99/25/598919925.db2.gz NRFFRMAEZONFTL-LBPRGKRZSA-N -1 3 376.873 3.532 20 0 GHADHM CC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000736363409 598919926 /nfs/dbraw/zinc/91/99/26/598919926.db2.gz NRFFRMAEZONFTL-LBPRGKRZSA-N -1 3 376.873 3.532 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000736364208 598922854 /nfs/dbraw/zinc/92/28/54/598922854.db2.gz PSXXPKACKGUOLM-NSHDSACASA-N -1 3 380.836 3.994 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000736364208 598922855 /nfs/dbraw/zinc/92/28/55/598922855.db2.gz PSXXPKACKGUOLM-NSHDSACASA-N -1 3 380.836 3.994 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1Cc2ccccc21 ZINC000737280412 598923846 /nfs/dbraw/zinc/92/38/46/598923846.db2.gz RWNLLPQVMHXBJG-SFHVURJKSA-N -1 3 398.426 3.641 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(Br)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156838 598924333 /nfs/dbraw/zinc/92/43/33/598924333.db2.gz XUOSDLWFUCWPSY-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(Br)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156838 598924334 /nfs/dbraw/zinc/92/43/34/598924334.db2.gz XUOSDLWFUCWPSY-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736793313 598932962 /nfs/dbraw/zinc/93/29/62/598932962.db2.gz KFNKYBODJMAMOM-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736793313 598932965 /nfs/dbraw/zinc/93/29/65/598932965.db2.gz KFNKYBODJMAMOM-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736055534 598936843 /nfs/dbraw/zinc/93/68/43/598936843.db2.gz GKVFEUUZVDBXCX-SECBINFHSA-N -1 3 393.676 3.721 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736055534 598936845 /nfs/dbraw/zinc/93/68/45/598936845.db2.gz GKVFEUUZVDBXCX-SECBINFHSA-N -1 3 393.676 3.721 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(Cl)cc(Cl)c1 ZINC000737032453 598938324 /nfs/dbraw/zinc/93/83/24/598938324.db2.gz LSDYDDDEQUTKQK-UHFFFAOYSA-N -1 3 381.219 3.640 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(Cl)cc(Cl)c1 ZINC000737032453 598938326 /nfs/dbraw/zinc/93/83/26/598938326.db2.gz LSDYDDDEQUTKQK-UHFFFAOYSA-N -1 3 381.219 3.640 20 0 GHADHM Cc1ccc(-c2nc(CCNc3c(F)cc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000737287679 598939814 /nfs/dbraw/zinc/93/98/14/598939814.db2.gz HUIFGSUEZOOWRX-UHFFFAOYSA-N -1 3 382.374 3.763 20 0 GHADHM Cc1ccc(-c2nc(CCNc3c(F)cc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000737287679 598939817 /nfs/dbraw/zinc/93/98/17/598939817.db2.gz HUIFGSUEZOOWRX-UHFFFAOYSA-N -1 3 382.374 3.763 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000736469804 598945379 /nfs/dbraw/zinc/94/53/79/598945379.db2.gz DHLAJYBWBVKRSM-LSDHHAIUSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000736469804 598945380 /nfs/dbraw/zinc/94/53/80/598945380.db2.gz DHLAJYBWBVKRSM-LSDHHAIUSA-N -1 3 389.525 3.518 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000736509334 598970229 /nfs/dbraw/zinc/97/02/29/598970229.db2.gz VCKBEPFIIXYOGE-INIZCTEOSA-N -1 3 399.520 3.564 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000736509334 598970230 /nfs/dbraw/zinc/97/02/30/598970230.db2.gz VCKBEPFIIXYOGE-INIZCTEOSA-N -1 3 399.520 3.564 20 0 GHADHM O=C(NCC1CCCCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738043328 598979493 /nfs/dbraw/zinc/97/94/93/598979493.db2.gz CRGRKEVEHGNUHW-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM O=C(NCC1CCCCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738043328 598979495 /nfs/dbraw/zinc/97/94/95/598979495.db2.gz CRGRKEVEHGNUHW-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735859523 598990804 /nfs/dbraw/zinc/99/08/04/598990804.db2.gz VIDMLJLWXLKOTO-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735859523 598990807 /nfs/dbraw/zinc/99/08/07/598990807.db2.gz VIDMLJLWXLKOTO-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000736167227 599007303 /nfs/dbraw/zinc/00/73/03/599007303.db2.gz DHPRVTZAVMEPTC-UGSOOPFHSA-N -1 3 399.882 3.801 20 0 GHADHM NC(=O)[C@H](Sc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741678 599013222 /nfs/dbraw/zinc/01/32/22/599013222.db2.gz PITQPUURQWAYQC-LJQANCHMSA-N -1 3 387.468 3.852 20 0 GHADHM NC(=O)[C@H](Sc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741678 599013224 /nfs/dbraw/zinc/01/32/24/599013224.db2.gz PITQPUURQWAYQC-LJQANCHMSA-N -1 3 387.468 3.852 20 0 GHADHM CC[C@@H](NC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000736372352 599013701 /nfs/dbraw/zinc/01/37/01/599013701.db2.gz XKSSDVMVUSDIGO-MRXNPFEDSA-N -1 3 398.561 3.918 20 0 GHADHM CC[C@@H](NC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000736372352 599013703 /nfs/dbraw/zinc/01/37/03/599013703.db2.gz XKSSDVMVUSDIGO-MRXNPFEDSA-N -1 3 398.561 3.918 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736222339 599018019 /nfs/dbraw/zinc/01/80/19/599018019.db2.gz CJSVSELKABMHRT-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1ccc(CSCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737343929 599040414 /nfs/dbraw/zinc/04/04/14/599040414.db2.gz YGHCOHPWRYODTH-UHFFFAOYSA-N -1 3 394.426 3.934 20 0 GHADHM Cc1ccc(CSCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737343929 599040416 /nfs/dbraw/zinc/04/04/16/599040416.db2.gz YGHCOHPWRYODTH-UHFFFAOYSA-N -1 3 394.426 3.934 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000737632191 599047582 /nfs/dbraw/zinc/04/75/82/599047582.db2.gz KYBIFCRVPVJFNC-CQSZACIVSA-N -1 3 388.397 3.882 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000737632191 599047583 /nfs/dbraw/zinc/04/75/83/599047583.db2.gz KYBIFCRVPVJFNC-CQSZACIVSA-N -1 3 388.397 3.882 20 0 GHADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000735670942 599050339 /nfs/dbraw/zinc/05/03/39/599050339.db2.gz HQBOIYYZHFLMMI-UHFFFAOYSA-N -1 3 380.349 3.809 20 0 GHADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000735670942 599050342 /nfs/dbraw/zinc/05/03/42/599050342.db2.gz HQBOIYYZHFLMMI-UHFFFAOYSA-N -1 3 380.349 3.809 20 0 GHADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736367805 599050410 /nfs/dbraw/zinc/05/04/10/599050410.db2.gz CRFDUWYNZFEKRK-SNVBAGLBSA-N -1 3 388.357 3.720 20 0 GHADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736367805 599050412 /nfs/dbraw/zinc/05/04/12/599050412.db2.gz CRFDUWYNZFEKRK-SNVBAGLBSA-N -1 3 388.357 3.720 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000737631469 599053084 /nfs/dbraw/zinc/05/30/84/599053084.db2.gz DHUPBSOQNAAWNK-DZGCQCFKSA-N -1 3 390.369 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000737631469 599053087 /nfs/dbraw/zinc/05/30/87/599053087.db2.gz DHUPBSOQNAAWNK-DZGCQCFKSA-N -1 3 390.369 3.613 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738151471 599053604 /nfs/dbraw/zinc/05/36/04/599053604.db2.gz IUOYXWZVGWMDHC-CYBMUJFWSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738151471 599053607 /nfs/dbraw/zinc/05/36/07/599053607.db2.gz IUOYXWZVGWMDHC-CYBMUJFWSA-N -1 3 396.760 3.945 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819933231 599056205 /nfs/dbraw/zinc/05/62/05/599056205.db2.gz KHJUPENYTAVGQD-QGZVFWFLSA-N -1 3 398.442 3.684 20 0 GHADHM CCc1cc2c(CSc3ccc(-c4nn[nH]n4)cc3F)cc(=O)oc2cc1[O-] ZINC000736678084 599063656 /nfs/dbraw/zinc/06/36/56/599063656.db2.gz RGRITZVWWHNTMD-UHFFFAOYSA-N -1 3 398.419 3.673 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820280647 599064113 /nfs/dbraw/zinc/06/41/13/599064113.db2.gz LIJOZVAJOXKDKJ-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820280647 599064116 /nfs/dbraw/zinc/06/41/16/599064116.db2.gz LIJOZVAJOXKDKJ-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)s1 ZINC000736679453 599071519 /nfs/dbraw/zinc/07/15/19/599071519.db2.gz UMKOTTCJWSVSAR-CMPLNLGQSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)s1 ZINC000736679453 599071522 /nfs/dbraw/zinc/07/15/22/599071522.db2.gz UMKOTTCJWSVSAR-CMPLNLGQSA-N -1 3 375.404 3.511 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000821346437 599071833 /nfs/dbraw/zinc/07/18/33/599071833.db2.gz JBOIAPTZZHCBKI-LBPRGKRZSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000821346437 599071836 /nfs/dbraw/zinc/07/18/36/599071836.db2.gz JBOIAPTZZHCBKI-LBPRGKRZSA-N -1 3 395.492 3.605 20 0 GHADHM CS[C@H]1CC[C@@H](Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC000821950683 599072691 /nfs/dbraw/zinc/07/26/91/599072691.db2.gz POZISTNMRVVYMO-OLZOCXBDSA-N -1 3 379.493 3.672 20 0 GHADHM CS[C@H]1CC[C@@H](Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC000821950683 599072693 /nfs/dbraw/zinc/07/26/93/599072693.db2.gz POZISTNMRVVYMO-OLZOCXBDSA-N -1 3 379.493 3.672 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736124306 599079521 /nfs/dbraw/zinc/07/95/21/599079521.db2.gz GZVNJJGFQVOLJW-AWEZNQCLSA-N -1 3 395.463 3.737 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736124306 599079522 /nfs/dbraw/zinc/07/95/22/599079522.db2.gz GZVNJJGFQVOLJW-AWEZNQCLSA-N -1 3 395.463 3.737 20 0 GHADHM CCSCc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736665984 599084485 /nfs/dbraw/zinc/08/44/85/599084485.db2.gz JYZPRTMCJYESII-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM Clc1ccc(Cn2cc(Nc3ncc(-c4nnn[n-]4)cc3Cl)cn2)cc1 ZINC000822573763 599087936 /nfs/dbraw/zinc/08/79/36/599087936.db2.gz HRTRSXLSQYPJQV-UHFFFAOYSA-N -1 3 387.234 3.557 20 0 GHADHM Clc1ccc(Cn2cc(Nc3ncc(-c4nn[n-]n4)cc3Cl)cn2)cc1 ZINC000822573763 599087938 /nfs/dbraw/zinc/08/79/38/599087938.db2.gz HRTRSXLSQYPJQV-UHFFFAOYSA-N -1 3 387.234 3.557 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738024818 599091782 /nfs/dbraw/zinc/09/17/82/599091782.db2.gz ZAZOHHMYAOUCDG-HTAPYJJXSA-N -1 3 395.466 3.895 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738024818 599091784 /nfs/dbraw/zinc/09/17/84/599091784.db2.gz ZAZOHHMYAOUCDG-HTAPYJJXSA-N -1 3 395.466 3.895 20 0 GHADHM CC1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736211592 599092926 /nfs/dbraw/zinc/09/29/26/599092926.db2.gz PPMHCWFXVBPZKT-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CC1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736211592 599092928 /nfs/dbraw/zinc/09/29/28/599092928.db2.gz PPMHCWFXVBPZKT-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736558681 599096589 /nfs/dbraw/zinc/09/65/89/599096589.db2.gz PNHFPUFFIWHDNI-UHFFFAOYSA-N -1 3 398.470 3.520 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736558681 599096591 /nfs/dbraw/zinc/09/65/91/599096591.db2.gz PNHFPUFFIWHDNI-UHFFFAOYSA-N -1 3 398.470 3.520 20 0 GHADHM c1ccc2c(c1)CCO[C@@H]2CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738443077 599100612 /nfs/dbraw/zinc/10/06/12/599100612.db2.gz VGDQYHNPZYHYBA-LJQANCHMSA-N -1 3 382.489 3.683 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000822233126 599108829 /nfs/dbraw/zinc/10/88/29/599108829.db2.gz IMAOINRLUQXMHJ-XLIONFOSSA-N -1 3 390.491 3.639 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000822233126 599108832 /nfs/dbraw/zinc/10/88/32/599108832.db2.gz IMAOINRLUQXMHJ-XLIONFOSSA-N -1 3 390.491 3.639 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1ccc(OCC(F)(F)F)nc1 ZINC000822761244 607258625 /nfs/dbraw/zinc/25/86/25/607258625.db2.gz DSBKWSWCALEPOX-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1ccc(OCC(F)(F)F)nc1 ZINC000822761244 607258626 /nfs/dbraw/zinc/25/86/26/607258626.db2.gz DSBKWSWCALEPOX-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736637512 599144886 /nfs/dbraw/zinc/14/48/86/599144886.db2.gz QVPBLMWFYNLUPL-PBHICJAKSA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736637512 599144887 /nfs/dbraw/zinc/14/48/87/599144887.db2.gz QVPBLMWFYNLUPL-PBHICJAKSA-N -1 3 392.463 3.675 20 0 GHADHM CCc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1Cl ZINC000736676161 599157078 /nfs/dbraw/zinc/15/70/78/599157078.db2.gz BFGUSUMYPNXBRB-UHFFFAOYSA-N -1 3 382.811 3.712 20 0 GHADHM CCc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1Cl ZINC000736676161 599157079 /nfs/dbraw/zinc/15/70/79/599157079.db2.gz BFGUSUMYPNXBRB-UHFFFAOYSA-N -1 3 382.811 3.712 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820868973 599159410 /nfs/dbraw/zinc/15/94/10/599159410.db2.gz DCVAKADFOAWDBX-KBPBESRZSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820868973 599159413 /nfs/dbraw/zinc/15/94/13/599159413.db2.gz DCVAKADFOAWDBX-KBPBESRZSA-N -1 3 383.452 3.593 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Oc2ccccc2)c1 ZINC000823242374 599163063 /nfs/dbraw/zinc/16/30/63/599163063.db2.gz WRRNNZFIHVNPJL-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Oc2ccccc2)c1 ZINC000823242374 599163066 /nfs/dbraw/zinc/16/30/66/599163066.db2.gz WRRNNZFIHVNPJL-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM Fc1cc(F)c(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(F)c1 ZINC000737644696 599164898 /nfs/dbraw/zinc/16/48/98/599164898.db2.gz KGODXKWSQUZJSN-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1cc(F)c(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(F)c1 ZINC000737644696 599164901 /nfs/dbraw/zinc/16/49/01/599164901.db2.gz KGODXKWSQUZJSN-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000736192078 599168702 /nfs/dbraw/zinc/16/87/02/599168702.db2.gz KQUJOJJKMGXJKE-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000736192078 599168703 /nfs/dbraw/zinc/16/87/03/599168703.db2.gz KQUJOJJKMGXJKE-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000737351115 599169589 /nfs/dbraw/zinc/16/95/89/599169589.db2.gz KAMWOCLPINNMJX-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000737351115 599169590 /nfs/dbraw/zinc/16/95/90/599169590.db2.gz KAMWOCLPINNMJX-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000736191424 599170504 /nfs/dbraw/zinc/17/05/04/599170504.db2.gz IPARIBMQKIGWAY-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000736191424 599170505 /nfs/dbraw/zinc/17/05/05/599170505.db2.gz IPARIBMQKIGWAY-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCc1nc(-c2cccs2)no1 ZINC000737645092 599171810 /nfs/dbraw/zinc/17/18/10/599171810.db2.gz RAEHKPXHIVOFGB-UHFFFAOYSA-N -1 3 388.453 3.842 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCc1nc(-c2cccs2)no1 ZINC000737645092 599171813 /nfs/dbraw/zinc/17/18/13/599171813.db2.gz RAEHKPXHIVOFGB-UHFFFAOYSA-N -1 3 388.453 3.842 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCc2ccccc21 ZINC000735737124 599173061 /nfs/dbraw/zinc/17/30/61/599173061.db2.gz ZECYXUDWFPHHNZ-SFHVURJKSA-N -1 3 397.479 3.712 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCc2ccccc21 ZINC000735737124 599173064 /nfs/dbraw/zinc/17/30/64/599173064.db2.gz ZECYXUDWFPHHNZ-SFHVURJKSA-N -1 3 397.479 3.712 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000735514165 599179371 /nfs/dbraw/zinc/17/93/71/599179371.db2.gz RGGRAHNGLQMKQM-ZDUSSCGKSA-N -1 3 381.867 3.815 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000735514165 599179373 /nfs/dbraw/zinc/17/93/73/599179373.db2.gz RGGRAHNGLQMKQM-ZDUSSCGKSA-N -1 3 381.867 3.815 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Nc2ccccc2)c1 ZINC000823241792 599179744 /nfs/dbraw/zinc/17/97/44/599179744.db2.gz GKFDCHXJDPLESS-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Nc2ccccc2)c1 ZINC000823241792 599179745 /nfs/dbraw/zinc/17/97/45/599179745.db2.gz GKFDCHXJDPLESS-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000735448066 599181787 /nfs/dbraw/zinc/18/17/87/599181787.db2.gz IBOCUSCTRJWAHO-ZRDIBKRKSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000735448066 599181789 /nfs/dbraw/zinc/18/17/89/599181789.db2.gz IBOCUSCTRJWAHO-ZRDIBKRKSA-N -1 3 387.365 3.605 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@@H](C)S1 ZINC000820742195 599185130 /nfs/dbraw/zinc/18/51/30/599185130.db2.gz HZCPRXUYMGIKQN-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H](C)S1 ZINC000820742195 599185132 /nfs/dbraw/zinc/18/51/32/599185132.db2.gz HZCPRXUYMGIKQN-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000737329672 599188981 /nfs/dbraw/zinc/18/89/81/599188981.db2.gz HNKKOBOWVBRBSY-INIZCTEOSA-N -1 3 396.451 3.924 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000737329672 599188983 /nfs/dbraw/zinc/18/89/83/599188983.db2.gz HNKKOBOWVBRBSY-INIZCTEOSA-N -1 3 396.451 3.924 20 0 GHADHM O=C(c1cncs1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738284799 599190754 /nfs/dbraw/zinc/19/07/54/599190754.db2.gz YICPSBGBXJYDGT-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1cncs1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738284799 599190757 /nfs/dbraw/zinc/19/07/57/599190757.db2.gz YICPSBGBXJYDGT-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(NC1CCCC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738027161 599195564 /nfs/dbraw/zinc/19/55/64/599195564.db2.gz YGAJHDIFLBAUEB-UHFFFAOYSA-N -1 3 383.839 3.985 20 0 GHADHM O=C(NCC1CCC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738043194 599196642 /nfs/dbraw/zinc/19/66/42/599196642.db2.gz AJPUWSWBBDXVNJ-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM O=C(NCC1CCC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738043194 599196643 /nfs/dbraw/zinc/19/66/43/599196643.db2.gz AJPUWSWBBDXVNJ-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000820950446 599202071 /nfs/dbraw/zinc/20/20/71/599202071.db2.gz NHBGVEPXDPGAJN-IBGZPJMESA-N -1 3 386.525 3.513 20 0 GHADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821160650 599211909 /nfs/dbraw/zinc/21/19/09/599211909.db2.gz OGCUTYSFPXFWIE-INIZCTEOSA-N -1 3 387.484 3.797 20 0 GHADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821160650 599211911 /nfs/dbraw/zinc/21/19/11/599211911.db2.gz OGCUTYSFPXFWIE-INIZCTEOSA-N -1 3 387.484 3.797 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737279026 599224952 /nfs/dbraw/zinc/22/49/52/599224952.db2.gz GWMJVEIVKQALRU-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737279026 599224954 /nfs/dbraw/zinc/22/49/54/599224954.db2.gz GWMJVEIVKQALRU-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823372876 607262394 /nfs/dbraw/zinc/26/23/94/607262394.db2.gz MKVWNTHXIFTESR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823372876 607262395 /nfs/dbraw/zinc/26/23/95/607262395.db2.gz MKVWNTHXIFTESR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000820401992 607262748 /nfs/dbraw/zinc/26/27/48/607262748.db2.gz BALVFPOWMNPEHT-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000820401992 607262749 /nfs/dbraw/zinc/26/27/49/607262749.db2.gz BALVFPOWMNPEHT-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCc3ncccc32)cc1 ZINC000822137592 607266780 /nfs/dbraw/zinc/26/67/80/607266780.db2.gz VQAWDFOEOLGGSU-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCc3ncccc32)cc1 ZINC000822137592 607266781 /nfs/dbraw/zinc/26/67/81/607266781.db2.gz VQAWDFOEOLGGSU-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CCC3(C2)CCCCC3)c1-c1nnn[n-]1 ZINC000737188575 599247613 /nfs/dbraw/zinc/24/76/13/599247613.db2.gz CDKZYKIPDWXXBT-UHFFFAOYSA-N -1 3 398.536 3.657 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC2CCCCC2)cc1 ZINC000738102654 599250019 /nfs/dbraw/zinc/25/00/19/599250019.db2.gz STULPIKKPQQMKB-UHFFFAOYSA-N -1 3 395.438 3.647 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC2CCCCC2)cc1 ZINC000738102654 599250022 /nfs/dbraw/zinc/25/00/22/599250022.db2.gz STULPIKKPQQMKB-UHFFFAOYSA-N -1 3 395.438 3.647 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822090966 607281452 /nfs/dbraw/zinc/28/14/52/607281452.db2.gz MUHVZRCMVYJWJF-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822090966 607281453 /nfs/dbraw/zinc/28/14/53/607281453.db2.gz MUHVZRCMVYJWJF-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(OC2CCCC2)c1 ZINC000823238994 599253000 /nfs/dbraw/zinc/25/30/00/599253000.db2.gz WFMPNUAVYXTMBC-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(OC2CCCC2)c1 ZINC000823238994 599253001 /nfs/dbraw/zinc/25/30/01/599253001.db2.gz WFMPNUAVYXTMBC-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000820379565 599256688 /nfs/dbraw/zinc/25/66/88/599256688.db2.gz DBUPCGBYVWRYGB-CYBMUJFWSA-N -1 3 397.458 3.733 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000820379565 599256689 /nfs/dbraw/zinc/25/66/89/599256689.db2.gz DBUPCGBYVWRYGB-CYBMUJFWSA-N -1 3 397.458 3.733 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822084679 607285708 /nfs/dbraw/zinc/28/57/08/607285708.db2.gz NMWZDYOBKXVQRU-PBHICJAKSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822084679 607285709 /nfs/dbraw/zinc/28/57/09/607285709.db2.gz NMWZDYOBKXVQRU-PBHICJAKSA-N -1 3 376.464 3.833 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821127232 607286207 /nfs/dbraw/zinc/28/62/07/607286207.db2.gz DGCBSRRYCBSRTL-CQSZACIVSA-N -1 3 380.452 3.847 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821127232 607286208 /nfs/dbraw/zinc/28/62/08/607286208.db2.gz DGCBSRRYCBSRTL-CQSZACIVSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822084668 607291556 /nfs/dbraw/zinc/29/15/56/607291556.db2.gz NIFLUFLQLYVMLJ-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822084668 607291557 /nfs/dbraw/zinc/29/15/57/607291557.db2.gz NIFLUFLQLYVMLJ-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000822351029 607292804 /nfs/dbraw/zinc/29/28/04/607292804.db2.gz KCOCUHKOQYOAPK-GDBMZVCRSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000822351029 607292805 /nfs/dbraw/zinc/29/28/05/607292805.db2.gz KCOCUHKOQYOAPK-GDBMZVCRSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1c(NC(=O)c2cc(Br)cn2C(C)C)cccc1-c1nnn[n-]1 ZINC000822107804 607297479 /nfs/dbraw/zinc/29/74/79/607297479.db2.gz DIAKIMQUBPUDDG-UHFFFAOYSA-N -1 3 389.257 3.572 20 0 GHADHM Cc1c(NC(=O)c2cc(Br)cn2C(C)C)cccc1-c1nn[n-]n1 ZINC000822107804 607297480 /nfs/dbraw/zinc/29/74/80/607297480.db2.gz DIAKIMQUBPUDDG-UHFFFAOYSA-N -1 3 389.257 3.572 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)Sc1ccccc1 ZINC000821406449 599264420 /nfs/dbraw/zinc/26/44/20/599264420.db2.gz FFGMXJLOXQUBHP-ZDUSSCGKSA-N -1 3 398.492 3.568 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)Sc1ccccc1 ZINC000821406449 599264423 /nfs/dbraw/zinc/26/44/23/599264423.db2.gz FFGMXJLOXQUBHP-ZDUSSCGKSA-N -1 3 398.492 3.568 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc2nc(C3CC3)sc2c1 ZINC000823766673 607314685 /nfs/dbraw/zinc/31/46/85/607314685.db2.gz HMEAYOQKUWPRKP-UHFFFAOYSA-N -1 3 388.460 3.614 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc2nc(C3CC3)sc2c1 ZINC000823766673 607314686 /nfs/dbraw/zinc/31/46/86/607314686.db2.gz HMEAYOQKUWPRKP-UHFFFAOYSA-N -1 3 388.460 3.614 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379766 599266365 /nfs/dbraw/zinc/26/63/65/599266365.db2.gz GQUJQSYAHMDXQT-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379766 599266366 /nfs/dbraw/zinc/26/63/66/599266366.db2.gz GQUJQSYAHMDXQT-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820875978 599266734 /nfs/dbraw/zinc/26/67/34/599266734.db2.gz JMCJCRXEUKRROQ-ZIAGYGMSSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820875978 599266737 /nfs/dbraw/zinc/26/67/37/599266737.db2.gz JMCJCRXEUKRROQ-ZIAGYGMSSA-N -1 3 380.452 3.927 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820597178 599266557 /nfs/dbraw/zinc/26/65/57/599266557.db2.gz ZPLHVNAAFTVCKF-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000820597178 599266560 /nfs/dbraw/zinc/26/65/60/599266560.db2.gz ZPLHVNAAFTVCKF-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccc(C)cc2[nH]1 ZINC000736487939 599277381 /nfs/dbraw/zinc/27/73/81/599277381.db2.gz KOZLECWNTASXSS-UHFFFAOYSA-N -1 3 375.436 3.731 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820665310 599279029 /nfs/dbraw/zinc/27/90/29/599279029.db2.gz FLSICZIRKYUAQT-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820665310 599279032 /nfs/dbraw/zinc/27/90/32/599279032.db2.gz FLSICZIRKYUAQT-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM CCCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccncc1 ZINC000736503696 599284869 /nfs/dbraw/zinc/28/48/69/599284869.db2.gz NDPYTUJQQNGIMK-ZDUSSCGKSA-N -1 3 392.492 3.784 20 0 GHADHM CCCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccncc1 ZINC000736503696 599284871 /nfs/dbraw/zinc/28/48/71/599284871.db2.gz NDPYTUJQQNGIMK-ZDUSSCGKSA-N -1 3 392.492 3.784 20 0 GHADHM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820570588 599285536 /nfs/dbraw/zinc/28/55/36/599285536.db2.gz NGVLVRJVKRKKRT-SNVBAGLBSA-N -1 3 391.357 3.505 20 0 GHADHM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820570588 599285539 /nfs/dbraw/zinc/28/55/39/599285539.db2.gz NGVLVRJVKRKKRT-SNVBAGLBSA-N -1 3 391.357 3.505 20 0 GHADHM CC(C)CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820072734 599285754 /nfs/dbraw/zinc/28/57/54/599285754.db2.gz LWMZPHCRYWNEKG-UHFFFAOYSA-N -1 3 382.390 3.928 20 0 GHADHM CC(C)CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820072734 599285756 /nfs/dbraw/zinc/28/57/56/599285756.db2.gz LWMZPHCRYWNEKG-UHFFFAOYSA-N -1 3 382.390 3.928 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C1CC1)C1CC1 ZINC000821571920 599286809 /nfs/dbraw/zinc/28/68/09/599286809.db2.gz KWRQJBMTCFQWQL-UHFFFAOYSA-N -1 3 380.374 3.538 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C1CC1)C1CC1 ZINC000821571920 599286811 /nfs/dbraw/zinc/28/68/11/599286811.db2.gz KWRQJBMTCFQWQL-UHFFFAOYSA-N -1 3 380.374 3.538 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820698949 599289554 /nfs/dbraw/zinc/28/95/54/599289554.db2.gz WUUSOTJFCLCNOZ-PWSUYJOCSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820698949 599289557 /nfs/dbraw/zinc/28/95/57/599289557.db2.gz WUUSOTJFCLCNOZ-PWSUYJOCSA-N -1 3 382.390 3.928 20 0 GHADHM CCN(C(=O)[C@H]1CSc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502100 599292056 /nfs/dbraw/zinc/29/20/56/599292056.db2.gz JZLWNPRFEGTLSX-DYVFJYSZSA-N -1 3 379.489 3.666 20 0 GHADHM CCN(C(=O)[C@H]1CSc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502100 599292058 /nfs/dbraw/zinc/29/20/58/599292058.db2.gz JZLWNPRFEGTLSX-DYVFJYSZSA-N -1 3 379.489 3.666 20 0 GHADHM COC(=O)[C@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642404 607346336 /nfs/dbraw/zinc/34/63/36/607346336.db2.gz IQLMEUYDZGSJFR-ZWKOTPCHSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642404 607346338 /nfs/dbraw/zinc/34/63/38/607346338.db2.gz IQLMEUYDZGSJFR-ZWKOTPCHSA-N -1 3 399.882 3.721 20 0 GHADHM O=C(Cc1ccc(F)cc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737960264 598231328 /nfs/dbraw/zinc/23/13/28/598231328.db2.gz SSFUDQXYILJMIB-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1ccc(F)cc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737960264 598231331 /nfs/dbraw/zinc/23/13/31/598231331.db2.gz SSFUDQXYILJMIB-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737408222 598256121 /nfs/dbraw/zinc/25/61/21/598256121.db2.gz HKONUANDEMKGDK-MRXNPFEDSA-N -1 3 379.468 3.541 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737408222 598256122 /nfs/dbraw/zinc/25/61/22/598256122.db2.gz HKONUANDEMKGDK-MRXNPFEDSA-N -1 3 379.468 3.541 20 0 GHADHM O=C(Cc1cccc(O)c1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737968098 598260994 /nfs/dbraw/zinc/26/09/94/598260994.db2.gz FJDRDWOZVGPQGP-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc2[nH]cnc2c1 ZINC000738185003 598261004 /nfs/dbraw/zinc/26/10/04/598261004.db2.gz PVVKTHDBSAUUNO-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CCc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000736690832 598264180 /nfs/dbraw/zinc/26/41/80/598264180.db2.gz LKVVJIJUYLTPHW-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CCc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000736690832 598264181 /nfs/dbraw/zinc/26/41/81/598264181.db2.gz LKVVJIJUYLTPHW-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM Cc1cccc2c1CCN(C(=O)Nc1cc(-c3nnn[n-]3)ccc1OC(C)C)C2 ZINC000737411287 598264282 /nfs/dbraw/zinc/26/42/82/598264282.db2.gz ZDOQCUWUMYOELP-UHFFFAOYSA-N -1 3 392.463 3.553 20 0 GHADHM Cc1cccc2c1CCN(C(=O)Nc1cc(-c3nn[n-]n3)ccc1OC(C)C)C2 ZINC000737411287 598264283 /nfs/dbraw/zinc/26/42/83/598264283.db2.gz ZDOQCUWUMYOELP-UHFFFAOYSA-N -1 3 392.463 3.553 20 0 GHADHM CC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736279225 598267407 /nfs/dbraw/zinc/26/74/07/598267407.db2.gz WNUPIAQJPDHIJQ-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736279225 598267408 /nfs/dbraw/zinc/26/74/08/598267408.db2.gz WNUPIAQJPDHIJQ-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000736115782 598274561 /nfs/dbraw/zinc/27/45/61/598274561.db2.gz JOGOOWHOTXESAX-LLVKDONJSA-N -1 3 387.875 3.959 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000736115782 598274562 /nfs/dbraw/zinc/27/45/62/598274562.db2.gz JOGOOWHOTXESAX-LLVKDONJSA-N -1 3 387.875 3.959 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736179249 598279608 /nfs/dbraw/zinc/27/96/08/598279608.db2.gz BSUAJAPOXCRSOV-CYBMUJFWSA-N -1 3 383.427 3.560 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736179249 598279609 /nfs/dbraw/zinc/27/96/09/598279609.db2.gz BSUAJAPOXCRSOV-CYBMUJFWSA-N -1 3 383.427 3.560 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741408 598280335 /nfs/dbraw/zinc/28/03/35/598280335.db2.gz OAAHKOQLLUQCJO-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741408 598280336 /nfs/dbraw/zinc/28/03/36/598280336.db2.gz OAAHKOQLLUQCJO-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000735660316 598280686 /nfs/dbraw/zinc/28/06/86/598280686.db2.gz LTXLMDQXRGAUMW-UHFFFAOYSA-N -1 3 393.495 3.662 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000735660316 598280687 /nfs/dbraw/zinc/28/06/87/598280687.db2.gz LTXLMDQXRGAUMW-UHFFFAOYSA-N -1 3 393.495 3.662 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735639885 598296820 /nfs/dbraw/zinc/29/68/20/598296820.db2.gz SDXUXIUKMNPOTE-QXMHVHEDSA-N -1 3 391.475 3.511 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735639885 598296822 /nfs/dbraw/zinc/29/68/22/598296822.db2.gz SDXUXIUKMNPOTE-QXMHVHEDSA-N -1 3 391.475 3.511 20 0 GHADHM CN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749732 598310342 /nfs/dbraw/zinc/31/03/42/598310342.db2.gz QWGRCZYZQKZRQT-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749732 598310344 /nfs/dbraw/zinc/31/03/44/598310344.db2.gz QWGRCZYZQKZRQT-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)coc2c1C ZINC000737372297 598311622 /nfs/dbraw/zinc/31/16/22/598311622.db2.gz CUBKVJFXXWVXFA-UHFFFAOYSA-N -1 3 379.395 3.574 20 0 GHADHM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)coc2c1C ZINC000737372297 598311624 /nfs/dbraw/zinc/31/16/24/598311624.db2.gz CUBKVJFXXWVXFA-UHFFFAOYSA-N -1 3 379.395 3.574 20 0 GHADHM COc1cc(CSCc2cccc(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000737048130 598313276 /nfs/dbraw/zinc/31/32/76/598313276.db2.gz WWAZZZCWYSNANR-UHFFFAOYSA-N -1 3 378.404 3.910 20 0 GHADHM COc1cc(CSCc2cccc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000737048130 598313277 /nfs/dbraw/zinc/31/32/77/598313277.db2.gz WWAZZZCWYSNANR-UHFFFAOYSA-N -1 3 378.404 3.910 20 0 GHADHM COc1ccc(Cl)cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737099446 598317224 /nfs/dbraw/zinc/31/72/24/598317224.db2.gz LZTYYNMCHFQPDL-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM COc1ccc(Cl)cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737099446 598317226 /nfs/dbraw/zinc/31/72/26/598317226.db2.gz LZTYYNMCHFQPDL-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM S=C(Nc1ccc2scnc2c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738409183 598325146 /nfs/dbraw/zinc/32/51/46/598325146.db2.gz RHQFFBPDNAWNGU-UHFFFAOYSA-N -1 3 387.881 3.939 20 0 GHADHM S=C(Nc1ccc2scnc2c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738409183 598325148 /nfs/dbraw/zinc/32/51/48/598325148.db2.gz RHQFFBPDNAWNGU-UHFFFAOYSA-N -1 3 387.881 3.939 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735588152 598325492 /nfs/dbraw/zinc/32/54/92/598325492.db2.gz AZHVSNLOQAOHCP-QGZVFWFLSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735588152 598325493 /nfs/dbraw/zinc/32/54/93/598325493.db2.gz AZHVSNLOQAOHCP-QGZVFWFLSA-N -1 3 382.443 3.592 20 0 GHADHM CCc1ccc([C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C(C)C)cc1 ZINC000736685542 598326084 /nfs/dbraw/zinc/32/60/84/598326084.db2.gz MUKIMBCKYFGHLG-IBGZPJMESA-N -1 3 396.470 3.765 20 0 GHADHM CCc1ccc([C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C(C)C)cc1 ZINC000736685542 598326086 /nfs/dbraw/zinc/32/60/86/598326086.db2.gz MUKIMBCKYFGHLG-IBGZPJMESA-N -1 3 396.470 3.765 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCc1ccccc1C(F)(F)F ZINC000737853946 598332222 /nfs/dbraw/zinc/33/22/22/598332222.db2.gz OYTWRUGRZDICSI-UHFFFAOYSA-N -1 3 390.365 3.604 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1C(F)(F)F ZINC000737853946 598332224 /nfs/dbraw/zinc/33/22/24/598332224.db2.gz OYTWRUGRZDICSI-UHFFFAOYSA-N -1 3 390.365 3.604 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)COc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000737380243 598367234 /nfs/dbraw/zinc/36/72/34/598367234.db2.gz NDCSEIGAHBKTQE-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)COc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000737380243 598367235 /nfs/dbraw/zinc/36/72/35/598367235.db2.gz NDCSEIGAHBKTQE-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735649838 598375323 /nfs/dbraw/zinc/37/53/23/598375323.db2.gz LDOJMRNODIEACP-SFHVURJKSA-N -1 3 379.464 3.617 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735649838 598375325 /nfs/dbraw/zinc/37/53/25/598375325.db2.gz LDOJMRNODIEACP-SFHVURJKSA-N -1 3 379.464 3.617 20 0 GHADHM CCc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000736712051 598378341 /nfs/dbraw/zinc/37/83/41/598378341.db2.gz AKVIPXJEKNNJCP-LFIBNONCSA-N -1 3 385.383 3.520 20 0 GHADHM CCc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000736712051 598378343 /nfs/dbraw/zinc/37/83/43/598378343.db2.gz AKVIPXJEKNNJCP-LFIBNONCSA-N -1 3 385.383 3.520 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(-c2ccccc2)cs1 ZINC000738321756 598379502 /nfs/dbraw/zinc/37/95/02/598379502.db2.gz YVEDBLZRFZDPKG-WQRHYEAKSA-N -1 3 399.435 3.940 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(-c2ccccc2)cs1 ZINC000738321756 598379504 /nfs/dbraw/zinc/37/95/04/598379504.db2.gz YVEDBLZRFZDPKG-WQRHYEAKSA-N -1 3 399.435 3.940 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736788764 598380300 /nfs/dbraw/zinc/38/03/00/598380300.db2.gz OBCOJPILRLFFLR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736788764 598380302 /nfs/dbraw/zinc/38/03/02/598380302.db2.gz OBCOJPILRLFFLR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000736397421 598400307 /nfs/dbraw/zinc/40/03/07/598400307.db2.gz UDDZUMROKVGIQR-HNNXBMFYSA-N -1 3 391.460 3.512 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000736397421 598400309 /nfs/dbraw/zinc/40/03/09/598400309.db2.gz UDDZUMROKVGIQR-HNNXBMFYSA-N -1 3 391.460 3.512 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738235326 598412313 /nfs/dbraw/zinc/41/23/13/598412313.db2.gz QYJGAEZDFBIVMH-IBGZPJMESA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738235326 598412315 /nfs/dbraw/zinc/41/23/15/598412315.db2.gz QYJGAEZDFBIVMH-IBGZPJMESA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738232071 598412354 /nfs/dbraw/zinc/41/23/54/598412354.db2.gz FEWRYGBYPMYTIE-LJQANCHMSA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738232071 598412356 /nfs/dbraw/zinc/41/23/56/598412356.db2.gz FEWRYGBYPMYTIE-LJQANCHMSA-N -1 3 378.432 3.610 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000589091239 598413660 /nfs/dbraw/zinc/41/36/60/598413660.db2.gz DRUVXEXWIWJZSD-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000589091239 598413662 /nfs/dbraw/zinc/41/36/62/598413662.db2.gz DRUVXEXWIWJZSD-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000736187885 598415813 /nfs/dbraw/zinc/41/58/13/598415813.db2.gz KBDJMONPHONPGO-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000736187885 598415815 /nfs/dbraw/zinc/41/58/15/598415815.db2.gz KBDJMONPHONPGO-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000736167610 598415847 /nfs/dbraw/zinc/41/58/47/598415847.db2.gz FHGIPQSXZCSSKO-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737811490 598418213 /nfs/dbraw/zinc/41/82/13/598418213.db2.gz CCAAUXOLYHBVGK-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737811490 598418214 /nfs/dbraw/zinc/41/82/14/598418214.db2.gz CCAAUXOLYHBVGK-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM CC(=O)N(c1nc(CNc2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000735460771 598418954 /nfs/dbraw/zinc/41/89/54/598418954.db2.gz LORVQMIKDOSYHQ-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM CC(=O)N(c1nc(CNc2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1 ZINC000735460771 598418956 /nfs/dbraw/zinc/41/89/56/598418956.db2.gz LORVQMIKDOSYHQ-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737152945 598421279 /nfs/dbraw/zinc/42/12/79/598421279.db2.gz MYZBJYVIWVCUKA-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737152945 598421280 /nfs/dbraw/zinc/42/12/80/598421280.db2.gz MYZBJYVIWVCUKA-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000735875683 598428028 /nfs/dbraw/zinc/42/80/28/598428028.db2.gz ZNGVAJOEFITZJY-HXUWFJFHSA-N -1 3 390.491 3.864 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000735875683 598428029 /nfs/dbraw/zinc/42/80/29/598428029.db2.gz ZNGVAJOEFITZJY-HXUWFJFHSA-N -1 3 390.491 3.864 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738152471 598431999 /nfs/dbraw/zinc/43/19/99/598431999.db2.gz UYHJAZKHNMDQPQ-NSHDSACASA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738152471 598432001 /nfs/dbraw/zinc/43/20/01/598432001.db2.gz UYHJAZKHNMDQPQ-NSHDSACASA-N -1 3 386.818 3.681 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1sccc1SC(F)F ZINC000738232629 598432150 /nfs/dbraw/zinc/43/21/50/598432150.db2.gz UWEFSGPSODSKAX-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1sccc1SC(F)F ZINC000738232629 598432152 /nfs/dbraw/zinc/43/21/52/598432152.db2.gz UWEFSGPSODSKAX-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)nc1-c1cccc(Cl)c1 ZINC000737561652 598436927 /nfs/dbraw/zinc/43/69/27/598436927.db2.gz GIRYFNZSYDVNQP-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)nc1-c1cccc(Cl)c1 ZINC000737561652 598436929 /nfs/dbraw/zinc/43/69/29/598436929.db2.gz GIRYFNZSYDVNQP-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000737023449 598438255 /nfs/dbraw/zinc/43/82/55/598438255.db2.gz GFCKUVYMSHIMSP-ZWKOTPCHSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000737023449 598438257 /nfs/dbraw/zinc/43/82/57/598438257.db2.gz GFCKUVYMSHIMSP-ZWKOTPCHSA-N -1 3 386.411 3.738 20 0 GHADHM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738001436 598441355 /nfs/dbraw/zinc/44/13/55/598441355.db2.gz LOTDDXMXCBIIKD-FQEVSTJZSA-N -1 3 396.410 3.527 20 0 GHADHM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738001436 598441357 /nfs/dbraw/zinc/44/13/57/598441357.db2.gz LOTDDXMXCBIIKD-FQEVSTJZSA-N -1 3 396.410 3.527 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000735992447 598445306 /nfs/dbraw/zinc/44/53/06/598445306.db2.gz GMPXEJFAZATOKK-UZLBHIALSA-N -1 3 393.491 3.532 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000735992447 598445308 /nfs/dbraw/zinc/44/53/08/598445308.db2.gz GMPXEJFAZATOKK-UZLBHIALSA-N -1 3 393.491 3.532 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000736468176 598446429 /nfs/dbraw/zinc/44/64/29/598446429.db2.gz JSEUSPDPOJPXFK-CYBMUJFWSA-N -1 3 376.420 3.621 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000736468176 598446431 /nfs/dbraw/zinc/44/64/31/598446431.db2.gz JSEUSPDPOJPXFK-CYBMUJFWSA-N -1 3 376.420 3.621 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000736116631 598450668 /nfs/dbraw/zinc/45/06/68/598450668.db2.gz CCNINGYFNSAAGP-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000736116631 598450669 /nfs/dbraw/zinc/45/06/69/598450669.db2.gz CCNINGYFNSAAGP-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738116595 598453380 /nfs/dbraw/zinc/45/33/80/598453380.db2.gz JFHXKXJJQPQYQW-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738116595 598453381 /nfs/dbraw/zinc/45/33/81/598453381.db2.gz JFHXKXJJQPQYQW-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000736111155 598477873 /nfs/dbraw/zinc/47/78/73/598477873.db2.gz LCUIHUXZYOGNEB-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000736111155 598477875 /nfs/dbraw/zinc/47/78/75/598477875.db2.gz LCUIHUXZYOGNEB-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159798 598484583 /nfs/dbraw/zinc/48/45/83/598484583.db2.gz OQVLZWRZIKUTOR-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159798 598484584 /nfs/dbraw/zinc/48/45/84/598484584.db2.gz OQVLZWRZIKUTOR-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1sccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000736162652 598487986 /nfs/dbraw/zinc/48/79/86/598487986.db2.gz DJXRDJMHIQFYFK-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1sccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000736162652 598487987 /nfs/dbraw/zinc/48/79/87/598487987.db2.gz DJXRDJMHIQFYFK-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000735661873 598488510 /nfs/dbraw/zinc/48/85/10/598488510.db2.gz YAXNKVOSLAJDCE-UHFFFAOYSA-N -1 3 390.900 3.807 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000735661873 598488512 /nfs/dbraw/zinc/48/85/12/598488512.db2.gz YAXNKVOSLAJDCE-UHFFFAOYSA-N -1 3 390.900 3.807 20 0 GHADHM CC(C)COc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000735844897 598489617 /nfs/dbraw/zinc/48/96/17/598489617.db2.gz PUGHLMCZWULQNQ-UHFFFAOYSA-N -1 3 382.468 3.710 20 0 GHADHM CC(C)COc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000735844897 598489618 /nfs/dbraw/zinc/48/96/18/598489618.db2.gz PUGHLMCZWULQNQ-UHFFFAOYSA-N -1 3 382.468 3.710 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200512 598492067 /nfs/dbraw/zinc/49/20/67/598492067.db2.gz TYXWIJAUQIJOQE-YBOJIHHZSA-N -1 3 396.394 3.775 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200512 598492069 /nfs/dbraw/zinc/49/20/69/598492069.db2.gz TYXWIJAUQIJOQE-YBOJIHHZSA-N -1 3 396.394 3.775 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737473888 598498760 /nfs/dbraw/zinc/49/87/60/598498760.db2.gz ISVYLGIYXBEOEB-UHFFFAOYSA-N -1 3 396.520 3.635 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737473888 598498761 /nfs/dbraw/zinc/49/87/61/598498761.db2.gz ISVYLGIYXBEOEB-UHFFFAOYSA-N -1 3 396.520 3.635 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2cc(C)cc(C)c2)c1-c1nnn[n-]1 ZINC000736669339 598514957 /nfs/dbraw/zinc/51/49/57/598514957.db2.gz FIQLXUFQIKQHRQ-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC000736669339 598514959 /nfs/dbraw/zinc/51/49/59/598514959.db2.gz FIQLXUFQIKQHRQ-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)C(C)(C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000736670732 598515036 /nfs/dbraw/zinc/51/50/36/598515036.db2.gz PPYHFVIIKGHKLW-UHFFFAOYSA-N -1 3 385.493 3.724 20 0 GHADHM CCc1c(C)sc(NC(=O)C(C)(C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000736670732 598515037 /nfs/dbraw/zinc/51/50/37/598515037.db2.gz PPYHFVIIKGHKLW-UHFFFAOYSA-N -1 3 385.493 3.724 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2csc(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC000736674294 598515521 /nfs/dbraw/zinc/51/55/21/598515521.db2.gz BOMQLKMLARXVFE-UHFFFAOYSA-N -1 3 390.538 3.734 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2csc(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC000736674294 598515522 /nfs/dbraw/zinc/51/55/22/598515522.db2.gz BOMQLKMLARXVFE-UHFFFAOYSA-N -1 3 390.538 3.734 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2ccc(OC)c(F)c2)c1-c1nnn[n-]1 ZINC000736669324 598516087 /nfs/dbraw/zinc/51/60/87/598516087.db2.gz DLXFAHHZQYGRDZ-UHFFFAOYSA-N -1 3 389.456 3.518 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2ccc(OC)c(F)c2)c1-c1nn[n-]n1 ZINC000736669324 598516088 /nfs/dbraw/zinc/51/60/88/598516088.db2.gz DLXFAHHZQYGRDZ-UHFFFAOYSA-N -1 3 389.456 3.518 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(COC(C)C)cc2)c1-c1nnn[n-]1 ZINC000736675284 598517475 /nfs/dbraw/zinc/51/74/75/598517475.db2.gz JIFSRWICYXTZTJ-UHFFFAOYSA-N -1 3 385.493 3.976 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(COC(C)C)cc2)c1-c1nn[n-]n1 ZINC000736675284 598517477 /nfs/dbraw/zinc/51/74/77/598517477.db2.gz JIFSRWICYXTZTJ-UHFFFAOYSA-N -1 3 385.493 3.976 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000735619591 598535386 /nfs/dbraw/zinc/53/53/86/598535386.db2.gz UNPPAGOPBCDPHV-UHFFFAOYSA-N -1 3 390.447 3.778 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000735619591 598535388 /nfs/dbraw/zinc/53/53/88/598535388.db2.gz UNPPAGOPBCDPHV-UHFFFAOYSA-N -1 3 390.447 3.778 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CCOC(C)C ZINC000737279650 598542292 /nfs/dbraw/zinc/54/22/92/598542292.db2.gz LCMOSKOYTSNJIA-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CCOC(C)C ZINC000737279650 598542294 /nfs/dbraw/zinc/54/22/94/598542294.db2.gz LCMOSKOYTSNJIA-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735963836 598542620 /nfs/dbraw/zinc/54/26/20/598542620.db2.gz OTBUHECSYNAFSA-AWEZNQCLSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735963836 598542621 /nfs/dbraw/zinc/54/26/21/598542621.db2.gz OTBUHECSYNAFSA-AWEZNQCLSA-N -1 3 394.454 3.516 20 0 GHADHM CC(C)(C)SCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735642828 598543091 /nfs/dbraw/zinc/54/30/91/598543091.db2.gz HSNIFXYBXVVVOL-UHFFFAOYSA-N -1 3 397.504 3.916 20 0 GHADHM CC(C)(C)SCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735642828 598543093 /nfs/dbraw/zinc/54/30/93/598543093.db2.gz HSNIFXYBXVVVOL-UHFFFAOYSA-N -1 3 397.504 3.916 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2C)o1 ZINC000737315134 598543113 /nfs/dbraw/zinc/54/31/13/598543113.db2.gz JZRABCYUTDXCER-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2C)o1 ZINC000737315134 598543115 /nfs/dbraw/zinc/54/31/15/598543115.db2.gz JZRABCYUTDXCER-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735796032 598548967 /nfs/dbraw/zinc/54/89/67/598548967.db2.gz QUBVMUVMYHDGGE-MRXNPFEDSA-N -1 3 395.463 3.689 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736461525 598552823 /nfs/dbraw/zinc/55/28/23/598552823.db2.gz VSFVPZZXZYTZIX-CQSZACIVSA-N -1 3 381.436 3.803 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736461525 598552825 /nfs/dbraw/zinc/55/28/25/598552825.db2.gz VSFVPZZXZYTZIX-CQSZACIVSA-N -1 3 381.436 3.803 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735514088 598552920 /nfs/dbraw/zinc/55/29/20/598552920.db2.gz PLLLFVNXDXRBLZ-CQSZACIVSA-N -1 3 391.406 3.936 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735514088 598552921 /nfs/dbraw/zinc/55/29/21/598552921.db2.gz PLLLFVNXDXRBLZ-CQSZACIVSA-N -1 3 391.406 3.936 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C)c(F)c1 ZINC000736626252 598558756 /nfs/dbraw/zinc/55/87/56/598558756.db2.gz FPVWUHHJWUBNBT-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C)c(F)c1 ZINC000736626252 598558757 /nfs/dbraw/zinc/55/87/57/598558757.db2.gz FPVWUHHJWUBNBT-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NCC1CCC1 ZINC000737280388 598559102 /nfs/dbraw/zinc/55/91/02/598559102.db2.gz RBQNJEHYMFAFIS-UHFFFAOYSA-N -1 3 392.463 3.676 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NCC1CCC1 ZINC000737280388 598559105 /nfs/dbraw/zinc/55/91/05/598559105.db2.gz RBQNJEHYMFAFIS-UHFFFAOYSA-N -1 3 392.463 3.676 20 0 GHADHM Cc1nc(CNCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cs1 ZINC000737478552 598561872 /nfs/dbraw/zinc/56/18/72/598561872.db2.gz WEUWKQPNAXGVJE-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM Cc1nc(CNCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)cs1 ZINC000737478552 598561874 /nfs/dbraw/zinc/56/18/74/598561874.db2.gz WEUWKQPNAXGVJE-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737954071 598569453 /nfs/dbraw/zinc/56/94/53/598569453.db2.gz TYQSVTGMDCINJU-UHFFFAOYSA-N -1 3 386.387 3.587 20 0 GHADHM O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737954071 598569455 /nfs/dbraw/zinc/56/94/55/598569455.db2.gz TYQSVTGMDCINJU-UHFFFAOYSA-N -1 3 386.387 3.587 20 0 GHADHM CC(C)c1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735928958 598575577 /nfs/dbraw/zinc/57/55/77/598575577.db2.gz SVUOGZGSYZIAAS-IBGZPJMESA-N -1 3 376.464 3.598 20 0 GHADHM Cc1cc(Br)cc2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737231592 598582869 /nfs/dbraw/zinc/58/28/69/598582869.db2.gz PWCVGWMKQSVEOM-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1cc(Br)cc2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737231592 598582871 /nfs/dbraw/zinc/58/28/71/598582871.db2.gz PWCVGWMKQSVEOM-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3c2cccc3CC)s1 ZINC000736679173 598586376 /nfs/dbraw/zinc/58/63/76/598586376.db2.gz MUFNVMFPVNVQOH-UHFFFAOYSA-N -1 3 380.477 3.716 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3c2cccc3CC)s1 ZINC000736679173 598586378 /nfs/dbraw/zinc/58/63/78/598586378.db2.gz MUFNVMFPVNVQOH-UHFFFAOYSA-N -1 3 380.477 3.716 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000737462949 598588969 /nfs/dbraw/zinc/58/89/69/598588969.db2.gz BFFNLNKQOKSXSV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737462949 598588972 /nfs/dbraw/zinc/58/89/72/598588972.db2.gz BFFNLNKQOKSXSV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737857467 598600622 /nfs/dbraw/zinc/60/06/22/598600622.db2.gz QSHCUYLTRCEUEZ-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737857467 598600624 /nfs/dbraw/zinc/60/06/24/598600624.db2.gz QSHCUYLTRCEUEZ-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3-c3nnn[n-]3)ccc12 ZINC000736498761 598642714 /nfs/dbraw/zinc/64/27/14/598642714.db2.gz ZWLWIJKIXBPQEY-UHFFFAOYSA-N -1 3 380.379 3.644 20 0 GHADHM CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3-c3nn[n-]n3)ccc12 ZINC000736498761 598642716 /nfs/dbraw/zinc/64/27/16/598642716.db2.gz ZWLWIJKIXBPQEY-UHFFFAOYSA-N -1 3 380.379 3.644 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736827901 598645666 /nfs/dbraw/zinc/64/56/66/598645666.db2.gz JJZXIOGKHPZUHM-UHFFFAOYSA-N -1 3 385.427 3.931 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736827901 598645668 /nfs/dbraw/zinc/64/56/68/598645668.db2.gz JJZXIOGKHPZUHM-UHFFFAOYSA-N -1 3 385.427 3.931 20 0 GHADHM C[C@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736255874 598646235 /nfs/dbraw/zinc/64/62/35/598646235.db2.gz XBEHUAIAKCFLNO-GUYCJALGSA-N -1 3 379.420 3.790 20 0 GHADHM C[C@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736255874 598646237 /nfs/dbraw/zinc/64/62/37/598646237.db2.gz XBEHUAIAKCFLNO-GUYCJALGSA-N -1 3 379.420 3.790 20 0 GHADHM CCc1ccccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736701634 598647011 /nfs/dbraw/zinc/64/70/11/598647011.db2.gz GKQUJBFKWOACII-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1ccccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736701634 598647013 /nfs/dbraw/zinc/64/70/13/598647013.db2.gz GKQUJBFKWOACII-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000737943216 598649868 /nfs/dbraw/zinc/64/98/68/598649868.db2.gz QLELXTDFBAYJPT-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000737943216 598649869 /nfs/dbraw/zinc/64/98/69/598649869.db2.gz QLELXTDFBAYJPT-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737319138 598650334 /nfs/dbraw/zinc/65/03/34/598650334.db2.gz CWFYAGSXMUXUQJ-INIZCTEOSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737319138 598650336 /nfs/dbraw/zinc/65/03/36/598650336.db2.gz CWFYAGSXMUXUQJ-INIZCTEOSA-N -1 3 379.464 3.602 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1cccc(OC)c1 ZINC000736504143 598651915 /nfs/dbraw/zinc/65/19/15/598651915.db2.gz ADQABQFHTUHQFO-CQSZACIVSA-N -1 3 397.504 3.577 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1cccc(OC)c1 ZINC000736504143 598651917 /nfs/dbraw/zinc/65/19/17/598651917.db2.gz ADQABQFHTUHQFO-CQSZACIVSA-N -1 3 397.504 3.577 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736046263 598652749 /nfs/dbraw/zinc/65/27/49/598652749.db2.gz HMYCPRMHFZSFCY-ZDUSSCGKSA-N -1 3 384.509 3.790 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736046263 598652750 /nfs/dbraw/zinc/65/27/50/598652750.db2.gz HMYCPRMHFZSFCY-ZDUSSCGKSA-N -1 3 384.509 3.790 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737142852 598652762 /nfs/dbraw/zinc/65/27/62/598652762.db2.gz QHCGEJZFPXYTDB-MRXNPFEDSA-N -1 3 393.491 3.806 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737142852 598652764 /nfs/dbraw/zinc/65/27/64/598652764.db2.gz QHCGEJZFPXYTDB-MRXNPFEDSA-N -1 3 393.491 3.806 20 0 GHADHM O=C(NCc1ccsc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738125100 598654261 /nfs/dbraw/zinc/65/42/61/598654261.db2.gz UIVCATHXXAGUHK-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM O=C(NCc1ccsc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738125100 598654262 /nfs/dbraw/zinc/65/42/62/598654262.db2.gz UIVCATHXXAGUHK-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCC[C@@H]1C ZINC000736502576 598657526 /nfs/dbraw/zinc/65/75/26/598657526.db2.gz OCKMBEQZZMAVRY-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCC[C@@H]1C ZINC000736502576 598657528 /nfs/dbraw/zinc/65/75/28/598657528.db2.gz OCKMBEQZZMAVRY-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737401694 598658569 /nfs/dbraw/zinc/65/85/69/598658569.db2.gz PSYNAIYIPJLFDR-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737401694 598658570 /nfs/dbraw/zinc/65/85/70/598658570.db2.gz PSYNAIYIPJLFDR-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737837165 598659031 /nfs/dbraw/zinc/65/90/31/598659031.db2.gz QLMMQDSIWSXGNO-UHFFFAOYSA-N -1 3 377.235 3.530 20 0 GHADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737837165 598659033 /nfs/dbraw/zinc/65/90/33/598659033.db2.gz QLMMQDSIWSXGNO-UHFFFAOYSA-N -1 3 377.235 3.530 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736733215 598661519 /nfs/dbraw/zinc/66/15/19/598661519.db2.gz PVKHJRWTUNYLHK-CPFIRTDXSA-N -1 3 387.365 3.642 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736733215 598661520 /nfs/dbraw/zinc/66/15/20/598661520.db2.gz PVKHJRWTUNYLHK-CPFIRTDXSA-N -1 3 387.365 3.642 20 0 GHADHM COC(=O)c1ccc2ccccc2c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736949311 598674479 /nfs/dbraw/zinc/67/44/79/598674479.db2.gz SSJYAHUFHCFTBJ-UHFFFAOYSA-N -1 3 378.363 3.525 20 0 GHADHM COC(=O)c1ccc2ccccc2c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736949311 598674480 /nfs/dbraw/zinc/67/44/80/598674480.db2.gz SSJYAHUFHCFTBJ-UHFFFAOYSA-N -1 3 378.363 3.525 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000736191907 598696250 /nfs/dbraw/zinc/69/62/50/598696250.db2.gz XSHKRBVIQBHZPV-PFHKOEEOSA-N -1 3 391.516 3.568 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000736191907 598696252 /nfs/dbraw/zinc/69/62/52/598696252.db2.gz XSHKRBVIQBHZPV-PFHKOEEOSA-N -1 3 391.516 3.568 20 0 GHADHM O=C(c1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCCC1 ZINC000738257585 598701339 /nfs/dbraw/zinc/70/13/39/598701339.db2.gz IJEWYRROFMRIKM-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCCC1 ZINC000738257585 598701341 /nfs/dbraw/zinc/70/13/41/598701341.db2.gz IJEWYRROFMRIKM-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736214289 598707644 /nfs/dbraw/zinc/70/76/44/598707644.db2.gz MLYQDFQGKUOECF-GOSISDBHSA-N -1 3 383.883 3.872 20 0 GHADHM COc1ccc(C2(NC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCCC2)cc1 ZINC000737075837 598724518 /nfs/dbraw/zinc/72/45/18/598724518.db2.gz FVAIPNCJUCHCJB-UHFFFAOYSA-N -1 3 392.463 3.775 20 0 GHADHM COc1ccc(C2(NC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCCC2)cc1 ZINC000737075837 598724520 /nfs/dbraw/zinc/72/45/20/598724520.db2.gz FVAIPNCJUCHCJB-UHFFFAOYSA-N -1 3 392.463 3.775 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737075139 598729452 /nfs/dbraw/zinc/72/94/52/598729452.db2.gz KXYSCNBJCSDXCY-ZJNQMXKESA-N -1 3 384.823 3.846 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737075139 598729454 /nfs/dbraw/zinc/72/94/54/598729454.db2.gz KXYSCNBJCSDXCY-ZJNQMXKESA-N -1 3 384.823 3.846 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735875622 598741175 /nfs/dbraw/zinc/74/11/75/598741175.db2.gz XCQHWSUGVINTEN-GOSISDBHSA-N -1 3 389.503 3.799 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735875622 598741176 /nfs/dbraw/zinc/74/11/76/598741176.db2.gz XCQHWSUGVINTEN-GOSISDBHSA-N -1 3 389.503 3.799 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736663014 598750479 /nfs/dbraw/zinc/75/04/79/598750479.db2.gz AKJTZSOTJLXJSS-GFCCVEGCSA-N -1 3 380.905 3.660 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736663014 598750480 /nfs/dbraw/zinc/75/04/80/598750480.db2.gz AKJTZSOTJLXJSS-GFCCVEGCSA-N -1 3 380.905 3.660 20 0 GHADHM Cc1ccccc1COc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737428416 598753646 /nfs/dbraw/zinc/75/36/46/598753646.db2.gz OGPLOKGCHGTLQK-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccccc1COc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737428416 598753647 /nfs/dbraw/zinc/75/36/47/598753647.db2.gz OGPLOKGCHGTLQK-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)o1 ZINC000737192606 598763760 /nfs/dbraw/zinc/76/37/60/598763760.db2.gz KOLFCJFWQPEBHC-QMMMGPOBSA-N -1 3 375.479 3.620 20 0 GHADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)o1 ZINC000737192606 598763762 /nfs/dbraw/zinc/76/37/62/598763762.db2.gz KOLFCJFWQPEBHC-QMMMGPOBSA-N -1 3 375.479 3.620 20 0 GHADHM Cc1ncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000737492444 598764161 /nfs/dbraw/zinc/76/41/61/598764161.db2.gz SKFNKESEKIXPQR-ZHACJKMWSA-N -1 3 389.440 3.917 20 0 GHADHM Cc1ncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000737492444 598764163 /nfs/dbraw/zinc/76/41/63/598764163.db2.gz SKFNKESEKIXPQR-ZHACJKMWSA-N -1 3 389.440 3.917 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735618461 598772239 /nfs/dbraw/zinc/77/22/39/598772239.db2.gz NDGIEVPSZXLLKQ-UHFFFAOYSA-N -1 3 378.480 3.625 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735618461 598772242 /nfs/dbraw/zinc/77/22/42/598772242.db2.gz NDGIEVPSZXLLKQ-UHFFFAOYSA-N -1 3 378.480 3.625 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000736482155 598781869 /nfs/dbraw/zinc/78/18/69/598781869.db2.gz VQRVABLCLBDKBS-UHFFFAOYSA-N -1 3 375.436 3.792 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000736482155 598781870 /nfs/dbraw/zinc/78/18/70/598781870.db2.gz VQRVABLCLBDKBS-UHFFFAOYSA-N -1 3 375.436 3.792 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737854383 598783382 /nfs/dbraw/zinc/78/33/82/598783382.db2.gz ZNRCYXAABKYGJY-UHFFFAOYSA-N -1 3 378.363 3.804 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737854383 598783383 /nfs/dbraw/zinc/78/33/83/598783383.db2.gz ZNRCYXAABKYGJY-UHFFFAOYSA-N -1 3 378.363 3.804 20 0 GHADHM Fc1ccc([C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CCC2)cc1 ZINC000737650491 598789425 /nfs/dbraw/zinc/78/94/25/598789425.db2.gz PFKMCWUFBNGVBM-KRWDZBQOSA-N -1 3 382.468 3.834 20 0 GHADHM Fc1ccc([C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CCC2)cc1 ZINC000737650491 598789426 /nfs/dbraw/zinc/78/94/26/598789426.db2.gz PFKMCWUFBNGVBM-KRWDZBQOSA-N -1 3 382.468 3.834 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737151466 598790332 /nfs/dbraw/zinc/79/03/32/598790332.db2.gz CZKNDKKYLSVKSA-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737151466 598790334 /nfs/dbraw/zinc/79/03/34/598790334.db2.gz CZKNDKKYLSVKSA-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM C[C@@H](NCc1c(Cl)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138132 598798378 /nfs/dbraw/zinc/79/83/78/598798378.db2.gz ZONFUHUHNXHDSH-SNVBAGLBSA-N -1 3 379.798 3.972 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735679577 598799461 /nfs/dbraw/zinc/79/94/61/598799461.db2.gz LGMKJUIZJRBXJW-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735679577 598799462 /nfs/dbraw/zinc/79/94/62/598799462.db2.gz LGMKJUIZJRBXJW-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736375643 598804166 /nfs/dbraw/zinc/80/41/66/598804166.db2.gz IWHQAYKVENJBNL-IBGZPJMESA-N -1 3 385.512 3.589 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736375643 598804167 /nfs/dbraw/zinc/80/41/67/598804167.db2.gz IWHQAYKVENJBNL-IBGZPJMESA-N -1 3 385.512 3.589 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc(-c2cccs2)nc2ccccc21 ZINC000738152014 598805462 /nfs/dbraw/zinc/80/54/62/598805462.db2.gz OVINMAVJLVSZJD-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(-c2cccs2)nc2ccccc21 ZINC000738152014 598805464 /nfs/dbraw/zinc/80/54/64/598805464.db2.gz OVINMAVJLVSZJD-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OCC2CC2)cc1 ZINC000737933062 598806891 /nfs/dbraw/zinc/80/68/91/598806891.db2.gz SNDNCNNAHCIQMF-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OCC2CC2)cc1 ZINC000737933062 598806893 /nfs/dbraw/zinc/80/68/93/598806893.db2.gz SNDNCNNAHCIQMF-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737072638 598821944 /nfs/dbraw/zinc/82/19/44/598821944.db2.gz UIMDTRSYWRJWTJ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737072638 598821946 /nfs/dbraw/zinc/82/19/46/598821946.db2.gz UIMDTRSYWRJWTJ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C(C)C)on1 ZINC000820086908 599293879 /nfs/dbraw/zinc/29/38/79/599293879.db2.gz IEVIGRJCMYSHLR-UHFFFAOYSA-N -1 3 383.456 3.668 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(C)C)on1 ZINC000820086908 599293881 /nfs/dbraw/zinc/29/38/81/599293881.db2.gz IEVIGRJCMYSHLR-UHFFFAOYSA-N -1 3 383.456 3.668 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737464652 599306304 /nfs/dbraw/zinc/30/63/04/599306304.db2.gz SPJHROACMQMVOA-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737464652 599306306 /nfs/dbraw/zinc/30/63/06/599306306.db2.gz SPJHROACMQMVOA-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1C(C)C ZINC000737278686 599307997 /nfs/dbraw/zinc/30/79/97/599307997.db2.gz LFLSMSKVBDUESU-HNNXBMFYSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1C(C)C ZINC000737278686 599308000 /nfs/dbraw/zinc/30/80/00/599308000.db2.gz LFLSMSKVBDUESU-HNNXBMFYSA-N -1 3 379.464 3.729 20 0 GHADHM C[C@@H](SCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188891 599325974 /nfs/dbraw/zinc/32/59/74/599325974.db2.gz MKDIOELNLIZOSM-CQSZACIVSA-N -1 3 388.518 3.525 20 0 GHADHM C[C@@H](SCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188891 599325978 /nfs/dbraw/zinc/32/59/78/599325978.db2.gz MKDIOELNLIZOSM-CQSZACIVSA-N -1 3 388.518 3.525 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188984 599329997 /nfs/dbraw/zinc/32/99/97/599329997.db2.gz NEIIRFGBBQDEOI-ZNMIVQPWSA-N -1 3 381.505 3.927 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188984 599329999 /nfs/dbraw/zinc/32/99/99/599329999.db2.gz NEIIRFGBBQDEOI-ZNMIVQPWSA-N -1 3 381.505 3.927 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427901 599333706 /nfs/dbraw/zinc/33/37/06/599333706.db2.gz JKHQBISZIITQLZ-LSDHHAIUSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427901 599333709 /nfs/dbraw/zinc/33/37/09/599333709.db2.gz JKHQBISZIITQLZ-LSDHHAIUSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cccc(Cl)c1Cl ZINC000822136963 599360537 /nfs/dbraw/zinc/36/05/37/599360537.db2.gz RECWXJRVWPALGP-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cccc(Cl)c1Cl ZINC000822136963 599360538 /nfs/dbraw/zinc/36/05/38/599360538.db2.gz RECWXJRVWPALGP-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM CCOCc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000736628079 599362510 /nfs/dbraw/zinc/36/25/10/599362510.db2.gz ZXZVXFXEERXDSL-UHFFFAOYSA-N -1 3 388.269 3.778 20 0 GHADHM CCOCc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000736628079 599362511 /nfs/dbraw/zinc/36/25/11/599362511.db2.gz ZXZVXFXEERXDSL-UHFFFAOYSA-N -1 3 388.269 3.778 20 0 GHADHM CSCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737183714 599372456 /nfs/dbraw/zinc/37/24/56/599372456.db2.gz UYLLNPRMYJHHHQ-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM CSCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737183714 599372458 /nfs/dbraw/zinc/37/24/58/599372458.db2.gz UYLLNPRMYJHHHQ-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(OCC(F)(F)F)c1C ZINC000821737062 607371606 /nfs/dbraw/zinc/37/16/06/607371606.db2.gz REMSFNDJFRIJLL-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(OCC(F)(F)F)c1C ZINC000821737062 607371608 /nfs/dbraw/zinc/37/16/08/607371608.db2.gz REMSFNDJFRIJLL-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000822223618 599392572 /nfs/dbraw/zinc/39/25/72/599392572.db2.gz DMLXNEYZXFOBTN-CHWSQXEVSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000822223618 599392577 /nfs/dbraw/zinc/39/25/77/599392577.db2.gz DMLXNEYZXFOBTN-CHWSQXEVSA-N -1 3 393.426 3.776 20 0 GHADHM COc1cc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OCCC(C)C ZINC000821707736 599406558 /nfs/dbraw/zinc/40/65/58/599406558.db2.gz DTTWJICTBYRKMT-AWEZNQCLSA-N -1 3 385.468 3.744 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738303477 599417649 /nfs/dbraw/zinc/41/76/49/599417649.db2.gz QUGCGWLGGDHHDW-UHFFFAOYSA-N -1 3 399.458 3.544 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738303477 599417654 /nfs/dbraw/zinc/41/76/54/599417654.db2.gz QUGCGWLGGDHHDW-UHFFFAOYSA-N -1 3 399.458 3.544 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358845 599422319 /nfs/dbraw/zinc/42/23/19/599422319.db2.gz PLLIUKDSOFACIM-RYGJVYDSSA-N -1 3 390.491 3.953 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358845 599422320 /nfs/dbraw/zinc/42/23/20/599422320.db2.gz PLLIUKDSOFACIM-RYGJVYDSSA-N -1 3 390.491 3.953 20 0 GHADHM Cc1cccc(C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822288642 599426133 /nfs/dbraw/zinc/42/61/33/599426133.db2.gz FCACWUUOWAZGNO-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1cccc(C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822288642 599426136 /nfs/dbraw/zinc/42/61/36/599426136.db2.gz FCACWUUOWAZGNO-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1csc2ccccc12 ZINC000820365451 599436180 /nfs/dbraw/zinc/43/61/80/599436180.db2.gz JOERXYCVKINBQD-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1csc2ccccc12 ZINC000820365451 599436185 /nfs/dbraw/zinc/43/61/85/599436185.db2.gz JOERXYCVKINBQD-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1c(Cl)c(Cl)ccc1C(C)=O ZINC000821749550 607378547 /nfs/dbraw/zinc/37/85/47/607378547.db2.gz RGJPYXXKWMRDBV-UHFFFAOYSA-N -1 3 393.230 3.964 20 0 GHADHM Fc1cccc(N2CCC[C@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)c1 ZINC000737659928 599439661 /nfs/dbraw/zinc/43/96/61/599439661.db2.gz FZZVXJMINBQPGK-HNNXBMFYSA-N -1 3 389.438 3.635 20 0 GHADHM Fc1cccc(N2CCC[C@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)c1 ZINC000737659928 599439663 /nfs/dbraw/zinc/43/96/63/599439663.db2.gz FZZVXJMINBQPGK-HNNXBMFYSA-N -1 3 389.438 3.635 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1c(Cl)cccc1OC(F)F ZINC000822761225 599459007 /nfs/dbraw/zinc/45/90/07/599459007.db2.gz CWFDKEBENBACKC-UHFFFAOYSA-N -1 3 383.761 3.550 20 0 GHADHM Clc1ccc2sc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000737574417 599460881 /nfs/dbraw/zinc/46/08/81/599460881.db2.gz KALRPXQAHPHNEV-ZZXKWVIFSA-N -1 3 379.836 3.948 20 0 GHADHM Clc1ccc2sc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc2c1 ZINC000737574417 599460886 /nfs/dbraw/zinc/46/08/86/599460886.db2.gz KALRPXQAHPHNEV-ZZXKWVIFSA-N -1 3 379.836 3.948 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819913684 599465262 /nfs/dbraw/zinc/46/52/62/599465262.db2.gz BKFRISLLYKSUJS-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819913684 599465263 /nfs/dbraw/zinc/46/52/63/599465263.db2.gz BKFRISLLYKSUJS-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000736633735 599465885 /nfs/dbraw/zinc/46/58/85/599465885.db2.gz DVGRCCAEWIPONW-UHFFFAOYSA-N -1 3 377.857 3.552 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000736633735 599465887 /nfs/dbraw/zinc/46/58/87/599465887.db2.gz DVGRCCAEWIPONW-UHFFFAOYSA-N -1 3 377.857 3.552 20 0 GHADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000736740592 599466089 /nfs/dbraw/zinc/46/60/89/599466089.db2.gz BVEAILRKYWUKRS-UHFFFAOYSA-N -1 3 388.456 3.690 20 0 GHADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000736740592 599466091 /nfs/dbraw/zinc/46/60/91/599466091.db2.gz BVEAILRKYWUKRS-UHFFFAOYSA-N -1 3 388.456 3.690 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340611 599472885 /nfs/dbraw/zinc/47/28/85/599472885.db2.gz LTTOVLNJNKWMQJ-AWEZNQCLSA-N -1 3 394.454 3.689 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340611 599472887 /nfs/dbraw/zinc/47/28/87/599472887.db2.gz LTTOVLNJNKWMQJ-AWEZNQCLSA-N -1 3 394.454 3.689 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351221 599477640 /nfs/dbraw/zinc/47/76/40/599477640.db2.gz NAHIIZBLYCQTKF-SJLPKXTDSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351221 599477644 /nfs/dbraw/zinc/47/76/44/599477644.db2.gz NAHIIZBLYCQTKF-SJLPKXTDSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348347 599485519 /nfs/dbraw/zinc/48/55/19/599485519.db2.gz BNMPOLGFUCYUQV-OXQOHEQNSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348347 599485522 /nfs/dbraw/zinc/48/55/22/599485522.db2.gz BNMPOLGFUCYUQV-OXQOHEQNSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820549255 599502391 /nfs/dbraw/zinc/50/23/91/599502391.db2.gz LLLCUQKDYPLKHB-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820549255 599502395 /nfs/dbraw/zinc/50/23/95/599502395.db2.gz LLLCUQKDYPLKHB-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736233931 599503334 /nfs/dbraw/zinc/50/33/34/599503334.db2.gz HEXKOYGWQNNDQY-AAEUAGOBSA-N -1 3 384.390 3.555 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736233931 599503338 /nfs/dbraw/zinc/50/33/38/599503338.db2.gz HEXKOYGWQNNDQY-AAEUAGOBSA-N -1 3 384.390 3.555 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822034992 599514328 /nfs/dbraw/zinc/51/43/28/599514328.db2.gz NSUIXUVITLAJTP-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822034992 599514330 /nfs/dbraw/zinc/51/43/30/599514330.db2.gz NSUIXUVITLAJTP-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820234701 607382093 /nfs/dbraw/zinc/38/20/93/607382093.db2.gz PDSQUAKZZXTNLA-MEDUHNTESA-N -1 3 377.370 3.810 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820234701 607382096 /nfs/dbraw/zinc/38/20/96/607382096.db2.gz PDSQUAKZZXTNLA-MEDUHNTESA-N -1 3 377.370 3.810 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC1CCN(c2ccccc2)CC1 ZINC000737625616 599521156 /nfs/dbraw/zinc/52/11/56/599521156.db2.gz CPTKTYPPFVQCQP-UHFFFAOYSA-N -1 3 388.397 3.966 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccccc1-n1cccn1 ZINC000737625566 599522768 /nfs/dbraw/zinc/52/27/68/599522768.db2.gz BYNNBFMIBZGOAK-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CC(C)c1ccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192183 599522983 /nfs/dbraw/zinc/52/29/83/599522983.db2.gz GCFFWJRSEVGUTM-HNNXBMFYSA-N -1 3 379.464 3.636 20 0 GHADHM CC(C)c1ccc(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192183 599522985 /nfs/dbraw/zinc/52/29/85/599522985.db2.gz GCFFWJRSEVGUTM-HNNXBMFYSA-N -1 3 379.464 3.636 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322458 599526207 /nfs/dbraw/zinc/52/62/07/599526207.db2.gz SVKFHGMBUBCTDF-BCPZQOPPSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322458 599526210 /nfs/dbraw/zinc/52/62/10/599526210.db2.gz SVKFHGMBUBCTDF-BCPZQOPPSA-N -1 3 382.493 3.511 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076722 599543484 /nfs/dbraw/zinc/54/34/84/599543484.db2.gz SJMNEWLWEIQLJF-HNNXBMFYSA-N -1 3 379.464 3.783 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076722 599543486 /nfs/dbraw/zinc/54/34/86/599543486.db2.gz SJMNEWLWEIQLJF-HNNXBMFYSA-N -1 3 379.464 3.783 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821949517 599548828 /nfs/dbraw/zinc/54/88/28/599548828.db2.gz HPYNSEBTBZNMNG-UHFFFAOYSA-N -1 3 399.545 3.889 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821949517 599548830 /nfs/dbraw/zinc/54/88/30/599548830.db2.gz HPYNSEBTBZNMNG-UHFFFAOYSA-N -1 3 399.545 3.889 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC(c1cccs1)c1cccs1 ZINC000737797499 599549320 /nfs/dbraw/zinc/54/93/20/599549320.db2.gz JENCFDLMITUTBY-KTKRTIGZSA-N -1 3 393.497 3.909 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC(c1cccs1)c1cccs1 ZINC000737797499 599549322 /nfs/dbraw/zinc/54/93/22/599549322.db2.gz JENCFDLMITUTBY-KTKRTIGZSA-N -1 3 393.497 3.909 20 0 GHADHM C[C@@H](NC(=O)c1ccc2nc(Cl)ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396265 599552402 /nfs/dbraw/zinc/55/24/02/599552402.db2.gz DQVYABFWJLAQNP-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc2nc(Cl)ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396265 599552404 /nfs/dbraw/zinc/55/24/04/599552404.db2.gz DQVYABFWJLAQNP-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737327884 599558056 /nfs/dbraw/zinc/55/80/56/599558056.db2.gz CJZDOFWPTYXXRP-IERDGZPVSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737327884 599558057 /nfs/dbraw/zinc/55/80/57/599558057.db2.gz CJZDOFWPTYXXRP-IERDGZPVSA-N -1 3 391.475 3.554 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1Cl ZINC000821230536 599561639 /nfs/dbraw/zinc/56/16/39/599561639.db2.gz MRGSGTKJXJZDDX-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccccc1Cl ZINC000821230536 599561640 /nfs/dbraw/zinc/56/16/40/599561640.db2.gz MRGSGTKJXJZDDX-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCC[C@@H]1SCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736435049 599568850 /nfs/dbraw/zinc/56/88/50/599568850.db2.gz JGBFXKDUUHIGCV-SFHVURJKSA-N -1 3 394.504 3.926 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCc2sc(Br)cc2C1 ZINC000822736761 607384487 /nfs/dbraw/zinc/38/44/87/607384487.db2.gz JXSAWVHVCPUEJQ-UHFFFAOYSA-N -1 3 398.236 3.532 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCc2sc(Br)cc2C1 ZINC000822736761 607384489 /nfs/dbraw/zinc/38/44/89/607384489.db2.gz JXSAWVHVCPUEJQ-UHFFFAOYSA-N -1 3 398.236 3.532 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252751 607385078 /nfs/dbraw/zinc/38/50/78/607385078.db2.gz QDEZUUVCBKQDPC-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252751 607385080 /nfs/dbraw/zinc/38/50/80/607385080.db2.gz QDEZUUVCBKQDPC-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737329790 599592115 /nfs/dbraw/zinc/59/21/15/599592115.db2.gz LBCLFMQVQOHWDI-KDOFPFPSSA-N -1 3 396.520 3.648 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422776 599601504 /nfs/dbraw/zinc/60/15/04/599601504.db2.gz RTKBKNOTSBUEAC-FRQCXROJSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422776 599601506 /nfs/dbraw/zinc/60/15/06/599601506.db2.gz RTKBKNOTSBUEAC-FRQCXROJSA-N -1 3 390.491 3.824 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738221729 599607765 /nfs/dbraw/zinc/60/77/65/599607765.db2.gz OMPWPXZBOHTXLA-UHFFFAOYSA-N -1 3 377.326 3.720 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546877 599618023 /nfs/dbraw/zinc/61/80/23/599618023.db2.gz IFXNUZNIMQJWKR-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546877 599618025 /nfs/dbraw/zinc/61/80/25/599618025.db2.gz IFXNUZNIMQJWKR-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000820512073 599627971 /nfs/dbraw/zinc/62/79/71/599627971.db2.gz GGUSXVIFXITWJD-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000820512073 599627972 /nfs/dbraw/zinc/62/79/72/599627972.db2.gz GGUSXVIFXITWJD-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1SCCc2sccc21 ZINC000823303638 599630000 /nfs/dbraw/zinc/63/00/00/599630000.db2.gz PJBIWBIRPVFPNP-CYBMUJFWSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1SCCc2sccc21 ZINC000823303638 599630001 /nfs/dbraw/zinc/63/00/01/599630001.db2.gz PJBIWBIRPVFPNP-CYBMUJFWSA-N -1 3 377.882 3.551 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820691429 599630248 /nfs/dbraw/zinc/63/02/48/599630248.db2.gz XEKABGZWWWTMFN-STQMWFEESA-N -1 3 389.525 3.873 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820691429 599630249 /nfs/dbraw/zinc/63/02/49/599630249.db2.gz XEKABGZWWWTMFN-STQMWFEESA-N -1 3 389.525 3.873 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)s1 ZINC000821465099 599630378 /nfs/dbraw/zinc/63/03/78/599630378.db2.gz BFPGSIPNFYXOMJ-JXFKEZNVSA-N -1 3 379.489 3.723 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)s1 ZINC000821465099 599630379 /nfs/dbraw/zinc/63/03/79/599630379.db2.gz BFPGSIPNFYXOMJ-JXFKEZNVSA-N -1 3 379.489 3.723 20 0 GHADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)c1 ZINC000822399391 599630884 /nfs/dbraw/zinc/63/08/84/599630884.db2.gz GAYAPDHCQHPJOZ-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM Cc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)c1 ZINC000822399391 599630885 /nfs/dbraw/zinc/63/08/85/599630885.db2.gz GAYAPDHCQHPJOZ-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821418043 599633829 /nfs/dbraw/zinc/63/38/29/599633829.db2.gz VHHHRGZQWGYIDV-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821418043 599633830 /nfs/dbraw/zinc/63/38/30/599633830.db2.gz VHHHRGZQWGYIDV-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CC(C)N(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000820121639 599637537 /nfs/dbraw/zinc/63/75/37/599637537.db2.gz STNMUNFHTRSLBH-UHFFFAOYSA-N -1 3 395.854 3.985 20 0 GHADHM CC(C)N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000820121639 599637538 /nfs/dbraw/zinc/63/75/38/599637538.db2.gz STNMUNFHTRSLBH-UHFFFAOYSA-N -1 3 395.854 3.985 20 0 GHADHM Cc1ccc(C)c(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C(C)C)c1 ZINC000822231900 599637794 /nfs/dbraw/zinc/63/77/94/599637794.db2.gz LVWJQFPMOQRCLD-UHFFFAOYSA-N -1 3 389.463 3.949 20 0 GHADHM Cc1ccc(C)c(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C(C)C)c1 ZINC000822231900 599637795 /nfs/dbraw/zinc/63/77/95/599637795.db2.gz LVWJQFPMOQRCLD-UHFFFAOYSA-N -1 3 389.463 3.949 20 0 GHADHM Cc1cccc(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C(C)C)c1 ZINC000822309136 599637797 /nfs/dbraw/zinc/63/77/97/599637797.db2.gz MXJNHGBIPPIMIG-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1cccc(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C(C)C)c1 ZINC000822309136 599637798 /nfs/dbraw/zinc/63/77/98/599637798.db2.gz MXJNHGBIPPIMIG-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM CCCC[C@@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821039165 599662173 /nfs/dbraw/zinc/66/21/73/599662173.db2.gz ASPWNILMFIWHMA-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCC[C@@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821039165 599662174 /nfs/dbraw/zinc/66/21/74/599662174.db2.gz ASPWNILMFIWHMA-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821481590 599674419 /nfs/dbraw/zinc/67/44/19/599674419.db2.gz LUVKFXKVMBMVNH-KRWDZBQOSA-N -1 3 398.442 3.598 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821481590 599674420 /nfs/dbraw/zinc/67/44/20/599674420.db2.gz LUVKFXKVMBMVNH-KRWDZBQOSA-N -1 3 398.442 3.598 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820921539 599675822 /nfs/dbraw/zinc/67/58/22/599675822.db2.gz ZFLOSKHXMMOPLH-KXBFYZLASA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820921539 599675823 /nfs/dbraw/zinc/67/58/23/599675823.db2.gz ZFLOSKHXMMOPLH-KXBFYZLASA-N -1 3 392.507 3.983 20 0 GHADHM C[C@@H](NC(=O)N1CCc2cc(C(C)(C)C)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820351634 599681421 /nfs/dbraw/zinc/68/14/21/599681421.db2.gz QJBSGKBBUFAQEP-CQSZACIVSA-N -1 3 390.491 3.998 20 0 GHADHM C[C@@H](NC(=O)N1CCc2cc(C(C)(C)C)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820351634 599681422 /nfs/dbraw/zinc/68/14/22/599681422.db2.gz QJBSGKBBUFAQEP-CQSZACIVSA-N -1 3 390.491 3.998 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN[C@@H](C(=O)[O-])c3ccccc3)cc2)cc1 ZINC000738659810 599782081 /nfs/dbraw/zinc/78/20/81/599782081.db2.gz GKVYFAXIGXSQBY-OAQYLSRUSA-N -1 3 395.480 3.743 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cccc(NC(=O)c2ccccc2)c1 ZINC000826252771 607399933 /nfs/dbraw/zinc/39/99/33/607399933.db2.gz QPBVYMNHKGTMFT-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1cccc(NC(=O)c2ccccc2)c1 ZINC000826252771 607399934 /nfs/dbraw/zinc/39/99/34/607399934.db2.gz QPBVYMNHKGTMFT-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000736273076 599850005 /nfs/dbraw/zinc/85/00/05/599850005.db2.gz KFCIRWRBDALRDQ-PBHICJAKSA-N -1 3 378.469 3.589 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCc3ccncc3)cc2)C(=O)[O-])cc1 ZINC000737967841 599857577 /nfs/dbraw/zinc/85/75/77/599857577.db2.gz DVDFRYPCZOGSJA-OAQYLSRUSA-N -1 3 378.428 3.585 20 0 GHADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821882507 607403701 /nfs/dbraw/zinc/40/37/01/607403701.db2.gz COKVLLFWZCWZMU-UHFFFAOYSA-N -1 3 395.463 3.579 20 0 GHADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821882507 607403702 /nfs/dbraw/zinc/40/37/02/607403702.db2.gz COKVLLFWZCWZMU-UHFFFAOYSA-N -1 3 395.463 3.579 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC000826254382 607406689 /nfs/dbraw/zinc/40/66/89/607406689.db2.gz IPQXEZIETWAQRS-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000826254382 607406690 /nfs/dbraw/zinc/40/66/90/607406690.db2.gz IPQXEZIETWAQRS-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000826254747 607412017 /nfs/dbraw/zinc/41/20/17/607412017.db2.gz ZAQQQMQVEIPQHV-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000826254747 607412018 /nfs/dbraw/zinc/41/20/18/607412018.db2.gz ZAQQQMQVEIPQHV-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000740227097 600014819 /nfs/dbraw/zinc/01/48/19/600014819.db2.gz MWAYMJDYGVEXBU-FQEVSTJZSA-N -1 3 389.879 3.863 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)N2CCCC2)cc1 ZINC000738561472 600022237 /nfs/dbraw/zinc/02/22/37/600022237.db2.gz OZFNGMQRNCCYBR-NRFANRHFSA-N -1 3 393.487 3.556 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000826428307 607417417 /nfs/dbraw/zinc/41/74/17/607417417.db2.gz XNNIAGCWLMLQSE-UHFFFAOYSA-N -1 3 398.470 3.646 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000826428307 607417420 /nfs/dbraw/zinc/41/74/20/607417420.db2.gz XNNIAGCWLMLQSE-UHFFFAOYSA-N -1 3 398.470 3.646 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)cc1 ZINC000738625132 600100097 /nfs/dbraw/zinc/10/00/97/600100097.db2.gz RBNIMWRNQZDUON-INIZCTEOSA-N -1 3 399.466 3.866 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000826428146 607420041 /nfs/dbraw/zinc/42/00/41/607420041.db2.gz PXSLLEDPQCDSKH-UHFFFAOYSA-N -1 3 379.807 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000826428146 607420043 /nfs/dbraw/zinc/42/00/43/607420043.db2.gz PXSLLEDPQCDSKH-UHFFFAOYSA-N -1 3 379.807 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cccc(Cl)c2o1 ZINC000826428227 607422748 /nfs/dbraw/zinc/42/27/48/607422748.db2.gz TWSMGSADLQJAII-UHFFFAOYSA-N -1 3 379.807 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cccc(Cl)c2o1 ZINC000826428227 607422749 /nfs/dbraw/zinc/42/27/49/607422749.db2.gz TWSMGSADLQJAII-UHFFFAOYSA-N -1 3 379.807 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000826428011 607421692 /nfs/dbraw/zinc/42/16/92/607421692.db2.gz LFRWAMFWKABEII-UHFFFAOYSA-N -1 3 394.438 3.920 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000826428011 607421693 /nfs/dbraw/zinc/42/16/93/607421693.db2.gz LFRWAMFWKABEII-UHFFFAOYSA-N -1 3 394.438 3.920 20 0 GHADHM COc1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@H](C)C2CC2)cc1 ZINC000826192703 607430470 /nfs/dbraw/zinc/43/04/70/607430470.db2.gz XOEWIBRKBCHEKY-OAHLLOKOSA-N -1 3 391.475 3.625 20 0 GHADHM COc1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@H](C)C2CC2)cc1 ZINC000826192703 607430471 /nfs/dbraw/zinc/43/04/71/607430471.db2.gz XOEWIBRKBCHEKY-OAHLLOKOSA-N -1 3 391.475 3.625 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820165146 607432880 /nfs/dbraw/zinc/43/28/80/607432880.db2.gz NNAWTVZQCULWAQ-OAHLLOKOSA-N -1 3 394.479 3.921 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820165146 607432881 /nfs/dbraw/zinc/43/28/81/607432881.db2.gz NNAWTVZQCULWAQ-OAHLLOKOSA-N -1 3 394.479 3.921 20 0 GHADHM O=C([O-])c1ccoc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000740249259 600287344 /nfs/dbraw/zinc/28/73/44/600287344.db2.gz UCRVAMTWUNEHCU-UHFFFAOYSA-N -1 3 380.803 3.621 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)s2)c(C)c1 ZINC000826273893 607435717 /nfs/dbraw/zinc/43/57/17/607435717.db2.gz YUVSBWPECHWOOE-UHFFFAOYSA-N -1 3 390.472 3.884 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)s2)c(C)c1 ZINC000826273893 607435719 /nfs/dbraw/zinc/43/57/19/607435719.db2.gz YUVSBWPECHWOOE-UHFFFAOYSA-N -1 3 390.472 3.884 20 0 GHADHM O=C([O-])NCc1ccc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739987820 600348502 /nfs/dbraw/zinc/34/85/02/600348502.db2.gz GFASXWRZZZVBTM-FQEVSTJZSA-N -1 3 396.491 3.630 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000738560997 600388834 /nfs/dbraw/zinc/38/88/34/600388834.db2.gz OLSXJSNAJASCNX-IBGZPJMESA-N -1 3 385.439 3.791 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736283402 600400971 /nfs/dbraw/zinc/40/09/71/600400971.db2.gz KMITVUPGIOOBLV-BBRMVZONSA-N -1 3 382.888 3.702 20 0 GHADHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426737781 600430724 /nfs/dbraw/zinc/43/07/24/600430724.db2.gz QEJYHPWDZKVQMZ-QGZVFWFLSA-N -1 3 379.840 3.671 20 0 GHADHM O=C([O-])Nc1ccc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000740020315 600453654 /nfs/dbraw/zinc/45/36/54/600453654.db2.gz NVJUKKPSCMEBDM-UHFFFAOYSA-N -1 3 397.456 3.961 20 0 GHADHM CC(C)[C@H](CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824191881 607453313 /nfs/dbraw/zinc/45/33/13/607453313.db2.gz HPBSUOPETYZLIG-IBGZPJMESA-N -1 3 390.491 3.595 20 0 GHADHM CC(C)[C@H](CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824191881 607453316 /nfs/dbraw/zinc/45/33/16/607453316.db2.gz HPBSUOPETYZLIG-IBGZPJMESA-N -1 3 390.491 3.595 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826296223 607457724 /nfs/dbraw/zinc/45/77/24/607457724.db2.gz NZGCCBSLHIQQCU-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826296223 607457726 /nfs/dbraw/zinc/45/77/26/607457726.db2.gz NZGCCBSLHIQQCU-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM O=C([O-])[C@H](N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1F ZINC000833168148 600749758 /nfs/dbraw/zinc/74/97/58/600749758.db2.gz UXBKACSTKOVKNX-YVEFUNNKSA-N -1 3 393.256 3.582 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(C3CCCCC3)n2)ccc1-c1nnn[n-]1 ZINC000822723459 607470087 /nfs/dbraw/zinc/47/00/87/607470087.db2.gz FUJKJAYULGLHFD-UHFFFAOYSA-N -1 3 393.373 3.928 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(C3CCCCC3)n2)ccc1-c1nn[n-]n1 ZINC000822723459 607470088 /nfs/dbraw/zinc/47/00/88/607470088.db2.gz FUJKJAYULGLHFD-UHFFFAOYSA-N -1 3 393.373 3.928 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000826687846 601039496 /nfs/dbraw/zinc/03/94/96/601039496.db2.gz PTWOKEUJDVRFEK-IBGZPJMESA-N -1 3 397.450 3.872 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819951195 607489916 /nfs/dbraw/zinc/48/99/16/607489916.db2.gz OTMLUDQLIKMRPI-HHHXNRCGSA-N -1 3 387.484 3.665 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819951195 607489918 /nfs/dbraw/zinc/48/99/18/607489918.db2.gz OTMLUDQLIKMRPI-HHHXNRCGSA-N -1 3 387.484 3.665 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)s1 ZINC000820736450 607494114 /nfs/dbraw/zinc/49/41/14/607494114.db2.gz ZOKBADHCTFTTSL-VIFPVBQESA-N -1 3 388.522 3.885 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)s1 ZINC000820736450 607494116 /nfs/dbraw/zinc/49/41/16/607494116.db2.gz ZOKBADHCTFTTSL-VIFPVBQESA-N -1 3 388.522 3.885 20 0 GHADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830717984 601398762 /nfs/dbraw/zinc/39/87/62/601398762.db2.gz JCBYJRNJDWTMRI-DYESRHJHSA-N -1 3 379.460 3.792 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)s1 ZINC000832911275 601625364 /nfs/dbraw/zinc/62/53/64/601625364.db2.gz LQEGDXNNRAEQET-UHFFFAOYSA-N -1 3 378.519 3.519 20 0 GHADHM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000825833843 601633848 /nfs/dbraw/zinc/63/38/48/601633848.db2.gz HREDOXYMXSBUCD-GOSISDBHSA-N -1 3 378.538 3.758 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2cc(Br)cs2)no1 ZINC000828805032 601634797 /nfs/dbraw/zinc/63/47/97/601634797.db2.gz ZAXDNFLYWVVGLU-UHFFFAOYSA-N -1 3 388.287 3.684 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000826054507 601654502 /nfs/dbraw/zinc/65/45/02/601654502.db2.gz NMSZAFYSHCDKOB-VGOFRKELSA-N -1 3 395.503 3.667 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824371350 607520951 /nfs/dbraw/zinc/52/09/51/607520951.db2.gz BJEBGBPQVXIJBY-IBGZPJMESA-N -1 3 388.479 3.529 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824371350 607520952 /nfs/dbraw/zinc/52/09/52/607520952.db2.gz BJEBGBPQVXIJBY-IBGZPJMESA-N -1 3 388.479 3.529 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830608906 601727367 /nfs/dbraw/zinc/72/73/67/601727367.db2.gz KNLUJNUKTLLZDH-UHFFFAOYSA-N -1 3 389.521 3.706 20 0 GHADHM C[C@H](CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000827449485 601918013 /nfs/dbraw/zinc/91/80/13/601918013.db2.gz LDKBSZHUNVOEHP-SJKOYZFVSA-N -1 3 399.318 3.842 20 0 GHADHM Fc1cccc(NCc2cccc(COCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826377646 607542738 /nfs/dbraw/zinc/54/27/38/607542738.db2.gz ZWMQWKBYJAFPTP-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM Fc1cccc(NCc2cccc(COCC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826377646 607542740 /nfs/dbraw/zinc/54/27/40/607542740.db2.gz ZWMQWKBYJAFPTP-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000568490554 602098427 /nfs/dbraw/zinc/09/84/27/602098427.db2.gz BNOIYFRQLIHEPA-UHFFFAOYSA-N -1 3 399.516 3.549 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824651269 607562576 /nfs/dbraw/zinc/56/25/76/607562576.db2.gz YIVIPWVEROZTQK-MGPUTAFESA-N -1 3 379.464 3.604 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825160160 607578140 /nfs/dbraw/zinc/57/81/40/607578140.db2.gz XXRXIQGQJKIIOR-GOSISDBHSA-N -1 3 397.504 3.834 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825160160 607578142 /nfs/dbraw/zinc/57/81/42/607578142.db2.gz XXRXIQGQJKIIOR-GOSISDBHSA-N -1 3 397.504 3.834 20 0 GHADHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC)cc1 ZINC000825029549 607593360 /nfs/dbraw/zinc/59/33/60/607593360.db2.gz WCMNFYNRKJTOHG-QXMHVHEDSA-N -1 3 383.839 3.961 20 0 GHADHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC)cc1 ZINC000825029549 607593362 /nfs/dbraw/zinc/59/33/62/607593362.db2.gz WCMNFYNRKJTOHG-QXMHVHEDSA-N -1 3 383.839 3.961 20 0 GHADHM CN(CCC1CC1)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825918184 607603147 /nfs/dbraw/zinc/60/31/47/607603147.db2.gz ABBFGNRXHBVHIT-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CN(CCC1CC1)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825918184 607603150 /nfs/dbraw/zinc/60/31/50/607603150.db2.gz ABBFGNRXHBVHIT-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccccc2CCC(C)C)cc1-c1nnn[n-]1 ZINC000826200388 607618430 /nfs/dbraw/zinc/61/84/30/607618430.db2.gz NAJSAZWSDBUERF-UHFFFAOYSA-N -1 3 394.479 3.786 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccccc2CCC(C)C)cc1-c1nn[n-]n1 ZINC000826200388 607618433 /nfs/dbraw/zinc/61/84/33/607618433.db2.gz NAJSAZWSDBUERF-UHFFFAOYSA-N -1 3 394.479 3.786 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CC2(C1)CC(F)(F)C2 ZINC000826474566 607639844 /nfs/dbraw/zinc/63/98/44/607639844.db2.gz VULJIWJCDDGOOU-UHFFFAOYSA-N -1 3 397.385 3.530 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CC2(C1)CC(F)(F)C2 ZINC000826474566 607639846 /nfs/dbraw/zinc/63/98/46/607639846.db2.gz VULJIWJCDDGOOU-UHFFFAOYSA-N -1 3 397.385 3.530 20 0 GHADHM Fc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826375490 607648929 /nfs/dbraw/zinc/64/89/29/607648929.db2.gz PNFKBPKCVTWFGQ-UHFFFAOYSA-N -1 3 388.859 3.635 20 0 GHADHM Fc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000826375490 607648930 /nfs/dbraw/zinc/64/89/30/607648930.db2.gz PNFKBPKCVTWFGQ-UHFFFAOYSA-N -1 3 388.859 3.635 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826288025 607672648 /nfs/dbraw/zinc/67/26/48/607672648.db2.gz NQBHBVBVFSSSBQ-UHFFFAOYSA-N -1 3 393.472 3.981 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826288025 607672649 /nfs/dbraw/zinc/67/26/49/607672649.db2.gz NQBHBVBVFSSSBQ-UHFFFAOYSA-N -1 3 393.472 3.981 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)C2)cc1 ZINC000826287585 607677008 /nfs/dbraw/zinc/67/70/08/607677008.db2.gz UYUFWVYWSNXHFH-GOSISDBHSA-N -1 3 375.476 3.578 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)C2)cc1 ZINC000826287585 607677010 /nfs/dbraw/zinc/67/70/10/607677010.db2.gz UYUFWVYWSNXHFH-GOSISDBHSA-N -1 3 375.476 3.578 20 0 GHADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000827717760 604290874 /nfs/dbraw/zinc/29/08/74/604290874.db2.gz LRZGWDCDSPSDDQ-VHSXEESVSA-N -1 3 380.338 3.682 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c2ccccn2)cc1 ZINC000826287158 607693035 /nfs/dbraw/zinc/69/30/35/607693035.db2.gz FJIZJWJHVCXERP-OAQYLSRUSA-N -1 3 398.470 3.592 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c2ccccn2)cc1 ZINC000826287158 607693037 /nfs/dbraw/zinc/69/30/37/607693037.db2.gz FJIZJWJHVCXERP-OAQYLSRUSA-N -1 3 398.470 3.592 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccc(SC)c(OC)c2)c1 ZINC000514609623 604460860 /nfs/dbraw/zinc/46/08/60/604460860.db2.gz MKGHDKQBOUYENL-LJQANCHMSA-N -1 3 391.489 3.692 20 0 GHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1Cn1nc(C(=O)[O-])c2ccccc21 ZINC000833756999 604547375 /nfs/dbraw/zinc/54/73/75/604547375.db2.gz UAMAJIDGGYHVEM-INIZCTEOSA-N -1 3 389.459 3.515 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427629 607701038 /nfs/dbraw/zinc/70/10/38/607701038.db2.gz VTFVTEYVYMDYDK-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427629 607701040 /nfs/dbraw/zinc/70/10/40/607701040.db2.gz VTFVTEYVYMDYDK-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1-c1cccc(Cl)c1 ZINC000826349452 607701124 /nfs/dbraw/zinc/70/11/24/607701124.db2.gz IDFHPWUNPSGPBX-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1-c1cccc(Cl)c1 ZINC000826349452 607701126 /nfs/dbraw/zinc/70/11/26/607701126.db2.gz IDFHPWUNPSGPBX-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCCC2 ZINC000833661078 604663326 /nfs/dbraw/zinc/66/33/26/604663326.db2.gz RZZWNSZOGDMAFD-RTBURBONSA-N -1 3 377.529 3.534 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833408631 604949480 /nfs/dbraw/zinc/94/94/80/604949480.db2.gz HJBFCBLMIFXOFM-GXTWGEPZSA-N -1 3 386.414 3.855 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826454487 607724831 /nfs/dbraw/zinc/72/48/31/607724831.db2.gz YKVPYEUEMXRQDU-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826454487 607724833 /nfs/dbraw/zinc/72/48/33/607724833.db2.gz YKVPYEUEMXRQDU-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM O=C([O-])C1(CN[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CCOCC1 ZINC000833785822 605071177 /nfs/dbraw/zinc/07/11/77/605071177.db2.gz ZYZAQKYMSYTDLS-FQEVSTJZSA-N -1 3 392.455 3.563 20 0 GHADHM Cc1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000829919445 605319935 /nfs/dbraw/zinc/31/99/35/605319935.db2.gz KVYMZPKPABRPLD-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3F)C[C@H]21 ZINC000833438599 605428592 /nfs/dbraw/zinc/42/85/92/605428592.db2.gz LDGAZGUWGMSOGM-QGPMSJSTSA-N -1 3 392.471 3.649 20 0 GHADHM O=C([O-])N1CC[C@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000834078788 605557733 /nfs/dbraw/zinc/55/77/33/605557733.db2.gz VICGPRNCDDWVJR-LLVKDONJSA-N -1 3 385.411 3.918 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(F)c2C)cc1-c1nnn[n-]1 ZINC000825545386 607764065 /nfs/dbraw/zinc/76/40/65/607764065.db2.gz QOXGPRWXKCWEKB-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(F)c2C)cc1-c1nn[n-]n1 ZINC000825545386 607764066 /nfs/dbraw/zinc/76/40/66/607764066.db2.gz QOXGPRWXKCWEKB-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc2cnccc21 ZINC000826459804 607769899 /nfs/dbraw/zinc/76/98/99/607769899.db2.gz ZWMXNJXXTVUJJR-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc2cnccc21 ZINC000826459804 607769900 /nfs/dbraw/zinc/76/99/00/607769900.db2.gz ZWMXNJXXTVUJJR-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc2ncccc21 ZINC000826459652 607770741 /nfs/dbraw/zinc/77/07/41/607770741.db2.gz SKOJSUBFMMOIJR-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc2ncccc21 ZINC000826459652 607770742 /nfs/dbraw/zinc/77/07/42/607770742.db2.gz SKOJSUBFMMOIJR-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(CCn1cccc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822987158 606029471 /nfs/dbraw/zinc/02/94/71/606029471.db2.gz RJRQKDXVQCWAIZ-UHFFFAOYSA-N -1 3 392.394 3.628 20 0 GHADHM O=C(CCn1cccc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822987158 606029477 /nfs/dbraw/zinc/02/94/77/606029477.db2.gz RJRQKDXVQCWAIZ-UHFFFAOYSA-N -1 3 392.394 3.628 20 0 GHADHM Cn1c2ccccc2nc1[C@@H](N[C@H]1CCCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833941448 606038849 /nfs/dbraw/zinc/03/88/49/606038849.db2.gz MECLSXFIJLWDHW-PXNSSMCTSA-N -1 3 378.476 3.785 20 0 GHADHM COc1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OC1CCCC1 ZINC000821708055 606045669 /nfs/dbraw/zinc/04/56/69/606045669.db2.gz JFVVJCYJOFOQHP-CYBMUJFWSA-N -1 3 380.452 3.765 20 0 GHADHM COc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OC1CCCC1 ZINC000821708055 606045671 /nfs/dbraw/zinc/04/56/71/606045671.db2.gz JFVVJCYJOFOQHP-CYBMUJFWSA-N -1 3 380.452 3.765 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820938465 606121725 /nfs/dbraw/zinc/12/17/25/606121725.db2.gz JIICZSRFNUAGJP-ZDUSSCGKSA-N -1 3 383.477 3.521 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820938465 606121726 /nfs/dbraw/zinc/12/17/26/606121726.db2.gz JIICZSRFNUAGJP-ZDUSSCGKSA-N -1 3 383.477 3.521 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821043137 606134561 /nfs/dbraw/zinc/13/45/61/606134561.db2.gz LUIHUZRTIXGMKQ-IBGZPJMESA-N -1 3 379.464 3.539 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821043137 606134563 /nfs/dbraw/zinc/13/45/63/606134563.db2.gz LUIHUZRTIXGMKQ-IBGZPJMESA-N -1 3 379.464 3.539 20 0 GHADHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1OC(F)F ZINC000820519830 606135261 /nfs/dbraw/zinc/13/52/61/606135261.db2.gz XAKGXRFIYXOAOD-ZETCQYMHSA-N -1 3 384.339 3.587 20 0 GHADHM CCO[C@H](CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000821351286 606143714 /nfs/dbraw/zinc/14/37/14/606143714.db2.gz OLUYBJRTPUOKMR-CYBMUJFWSA-N -1 3 384.406 3.678 20 0 GHADHM CCO[C@H](CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000821351286 606143715 /nfs/dbraw/zinc/14/37/15/606143715.db2.gz OLUYBJRTPUOKMR-CYBMUJFWSA-N -1 3 384.406 3.678 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000820117283 606150252 /nfs/dbraw/zinc/15/02/52/606150252.db2.gz YYWNIAYSLDMFJK-ARJAWSKDSA-N -1 3 379.439 3.846 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000820117283 606150253 /nfs/dbraw/zinc/15/02/53/606150253.db2.gz YYWNIAYSLDMFJK-ARJAWSKDSA-N -1 3 379.439 3.846 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822778930 606164709 /nfs/dbraw/zinc/16/47/09/606164709.db2.gz OQRCNCQIVQFVFK-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822778930 606164710 /nfs/dbraw/zinc/16/47/10/606164710.db2.gz OQRCNCQIVQFVFK-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643256 606167391 /nfs/dbraw/zinc/16/73/91/606167391.db2.gz SNPIDGCIEGCBKO-ZBFHGGJFSA-N -1 3 378.505 3.517 20 0 GHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643256 606167393 /nfs/dbraw/zinc/16/73/93/606167393.db2.gz SNPIDGCIEGCBKO-ZBFHGGJFSA-N -1 3 378.505 3.517 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822362388 606195743 /nfs/dbraw/zinc/19/57/43/606195743.db2.gz RAQKIHAARVMONS-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822362388 606195744 /nfs/dbraw/zinc/19/57/44/606195744.db2.gz RAQKIHAARVMONS-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820726868 606196828 /nfs/dbraw/zinc/19/68/28/606196828.db2.gz CLFOEIQJSVKTIP-APPDUMDISA-N -1 3 382.468 3.616 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820726868 606196829 /nfs/dbraw/zinc/19/68/29/606196829.db2.gz CLFOEIQJSVKTIP-APPDUMDISA-N -1 3 382.468 3.616 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822941287 606206724 /nfs/dbraw/zinc/20/67/24/606206724.db2.gz SYDDNPRNJQRRHR-LJQANCHMSA-N -1 3 389.459 3.525 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822941287 606206726 /nfs/dbraw/zinc/20/67/26/606206726.db2.gz SYDDNPRNJQRRHR-LJQANCHMSA-N -1 3 389.459 3.525 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822206016 606223111 /nfs/dbraw/zinc/22/31/11/606223111.db2.gz RCBVJIGBAMZVDN-RTBURBONSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822206016 606223112 /nfs/dbraw/zinc/22/31/12/606223112.db2.gz RCBVJIGBAMZVDN-RTBURBONSA-N -1 3 391.450 3.894 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)c2)C1 ZINC000820698628 606236628 /nfs/dbraw/zinc/23/66/28/606236628.db2.gz VFAMKMKDRLDDAW-KSSFIOAISA-N -1 3 394.479 3.553 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)c2)C1 ZINC000820698628 606236629 /nfs/dbraw/zinc/23/66/29/606236629.db2.gz VFAMKMKDRLDDAW-KSSFIOAISA-N -1 3 394.479 3.553 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000822655609 606236807 /nfs/dbraw/zinc/23/68/07/606236807.db2.gz PQPLUTHRBHSEIZ-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000822655609 606236809 /nfs/dbraw/zinc/23/68/09/606236809.db2.gz PQPLUTHRBHSEIZ-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000823346539 606264648 /nfs/dbraw/zinc/26/46/48/606264648.db2.gz PBUARYXNHKNJJA-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OCc2ccccc2)cc1 ZINC000823346539 606264650 /nfs/dbraw/zinc/26/46/50/606264650.db2.gz PBUARYXNHKNJJA-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c2)cs1 ZINC000822419318 606268458 /nfs/dbraw/zinc/26/84/58/606268458.db2.gz PMKHCTYMBMMIGV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c2)cs1 ZINC000822419318 606268460 /nfs/dbraw/zinc/26/84/60/606268460.db2.gz PMKHCTYMBMMIGV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(C)c(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000822432017 606295495 /nfs/dbraw/zinc/29/54/95/606295495.db2.gz TWEBKBGGNSYBSC-UHFFFAOYSA-N -1 3 391.460 3.936 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000822935400 606327585 /nfs/dbraw/zinc/32/75/85/606327585.db2.gz JQOLBHDVJGSBLO-DHZHZOJOSA-N -1 3 379.395 3.589 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000822935400 606327586 /nfs/dbraw/zinc/32/75/86/606327586.db2.gz JQOLBHDVJGSBLO-DHZHZOJOSA-N -1 3 379.395 3.589 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822275876 606341732 /nfs/dbraw/zinc/34/17/32/606341732.db2.gz YWDAJJKLLKMCAB-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822275876 606341733 /nfs/dbraw/zinc/34/17/33/606341733.db2.gz YWDAJJKLLKMCAB-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM C[C@@H](OC(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508596 606342766 /nfs/dbraw/zinc/34/27/66/606342766.db2.gz SMCQGTOQQDMZDQ-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508596 606342768 /nfs/dbraw/zinc/34/27/68/606342768.db2.gz SMCQGTOQQDMZDQ-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502738 606349301 /nfs/dbraw/zinc/34/93/01/606349301.db2.gz VGCQOAKXPMPVHS-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502738 606349302 /nfs/dbraw/zinc/34/93/02/606349302.db2.gz VGCQOAKXPMPVHS-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820501045 606351069 /nfs/dbraw/zinc/35/10/69/606351069.db2.gz HNGOEWUUPCKHHN-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820501045 606351070 /nfs/dbraw/zinc/35/10/70/606351070.db2.gz HNGOEWUUPCKHHN-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500292 606352666 /nfs/dbraw/zinc/35/26/66/606352666.db2.gz CVCRUCRQBMBKKU-LLVKDONJSA-N -1 3 397.485 3.899 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500292 606352668 /nfs/dbraw/zinc/35/26/68/606352668.db2.gz CVCRUCRQBMBKKU-LLVKDONJSA-N -1 3 397.485 3.899 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512294 606352794 /nfs/dbraw/zinc/35/27/94/606352794.db2.gz JCOKLJMITWWJLM-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512294 606352795 /nfs/dbraw/zinc/35/27/95/606352795.db2.gz JCOKLJMITWWJLM-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1 ZINC000819882905 606360397 /nfs/dbraw/zinc/36/03/97/606360397.db2.gz CLONZELUSBHCIP-AWEZNQCLSA-N -1 3 387.399 3.763 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938912 606373491 /nfs/dbraw/zinc/37/34/91/606373491.db2.gz ONOXIRCRTZONTH-HNNXBMFYSA-N -1 3 390.802 3.560 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938912 606373493 /nfs/dbraw/zinc/37/34/93/606373493.db2.gz ONOXIRCRTZONTH-HNNXBMFYSA-N -1 3 390.802 3.560 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487812 606397340 /nfs/dbraw/zinc/39/73/40/606397340.db2.gz JIFVKBUEFBNFRL-LBPRGKRZSA-N -1 3 384.823 3.787 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487812 606397341 /nfs/dbraw/zinc/39/73/41/606397341.db2.gz JIFVKBUEFBNFRL-LBPRGKRZSA-N -1 3 384.823 3.787 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(-c2cc3ccccc3o2)o1 ZINC000822567482 606403584 /nfs/dbraw/zinc/40/35/84/606403584.db2.gz BXQDYUFYGYIRAM-UHFFFAOYSA-N -1 3 397.807 3.863 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(-c2cc3ccccc3o2)o1 ZINC000822567482 606403585 /nfs/dbraw/zinc/40/35/85/606403585.db2.gz BXQDYUFYGYIRAM-UHFFFAOYSA-N -1 3 397.807 3.863 20 0 GHADHM Cc1ccccc1[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccs1 ZINC000822352446 606407427 /nfs/dbraw/zinc/40/74/27/606407427.db2.gz ZQUQBYQXDDLYLI-QGZVFWFLSA-N -1 3 379.445 3.522 20 0 GHADHM Cc1ccccc1[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccs1 ZINC000822352446 606407428 /nfs/dbraw/zinc/40/74/28/606407428.db2.gz ZQUQBYQXDDLYLI-QGZVFWFLSA-N -1 3 379.445 3.522 20 0 GHADHM CN(C(=O)c1sccc1Br)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574685 606412930 /nfs/dbraw/zinc/41/29/30/606412930.db2.gz SADGXENSMLRKTH-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1sccc1Br)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574685 606412932 /nfs/dbraw/zinc/41/29/32/606412932.db2.gz SADGXENSMLRKTH-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1ccc(Br)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573560 606415021 /nfs/dbraw/zinc/41/50/21/606415021.db2.gz VOUDGHJNXWRYBR-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1ccc(Br)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573560 606415022 /nfs/dbraw/zinc/41/50/22/606415022.db2.gz VOUDGHJNXWRYBR-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350259 606439257 /nfs/dbraw/zinc/43/92/57/606439257.db2.gz KBEOXLLHQVFAGY-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350259 606439260 /nfs/dbraw/zinc/43/92/60/606439260.db2.gz KBEOXLLHQVFAGY-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820342048 606441160 /nfs/dbraw/zinc/44/11/60/606441160.db2.gz SHAROPWOAYULPE-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820342048 606441162 /nfs/dbraw/zinc/44/11/62/606441162.db2.gz SHAROPWOAYULPE-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821383592 606452057 /nfs/dbraw/zinc/45/20/57/606452057.db2.gz GCSHOQTYDCCNRE-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821383592 606452059 /nfs/dbraw/zinc/45/20/59/606452059.db2.gz GCSHOQTYDCCNRE-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM FC(F)Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822736544 606457636 /nfs/dbraw/zinc/45/76/36/606457636.db2.gz GEYSGEMADBBCET-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM FC(F)Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822736544 606457638 /nfs/dbraw/zinc/45/76/38/606457638.db2.gz GEYSGEMADBBCET-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM C[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512866 606464832 /nfs/dbraw/zinc/46/48/32/606464832.db2.gz ONYOIEKFBMGGAT-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512866 606464833 /nfs/dbraw/zinc/46/48/33/606464833.db2.gz ONYOIEKFBMGGAT-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM CC(=O)c1sc(NC(=O)c2cc(-c3nnn[n-]3)cs2)nc1-c1ccccc1 ZINC000819845192 606477404 /nfs/dbraw/zinc/47/74/04/606477404.db2.gz QQPZIWPHDOLQKA-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM CC(=O)c1sc(NC(=O)c2cc(-c3nn[n-]n3)cs2)nc1-c1ccccc1 ZINC000819845192 606477406 /nfs/dbraw/zinc/47/74/06/606477406.db2.gz QQPZIWPHDOLQKA-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM C[C@H](N(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1(C)CC1 ZINC000820307080 606481259 /nfs/dbraw/zinc/48/12/59/606481259.db2.gz IDFAVUJSHGGJGD-LBPRGKRZSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@H](N(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1(C)CC1 ZINC000820307080 606481261 /nfs/dbraw/zinc/48/12/61/606481261.db2.gz IDFAVUJSHGGJGD-LBPRGKRZSA-N -1 3 397.508 3.566 20 0 GHADHM O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823139486 606491401 /nfs/dbraw/zinc/49/14/01/606491401.db2.gz GBSAWXIATGSPMW-UHFFFAOYSA-N -1 3 389.484 3.512 20 0 GHADHM O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823139486 606491402 /nfs/dbraw/zinc/49/14/02/606491402.db2.gz GBSAWXIATGSPMW-UHFFFAOYSA-N -1 3 389.484 3.512 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140552 606491413 /nfs/dbraw/zinc/49/14/13/606491413.db2.gz WPFPSNLWVYLZQF-KRWDZBQOSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140552 606491414 /nfs/dbraw/zinc/49/14/14/606491414.db2.gz WPFPSNLWVYLZQF-KRWDZBQOSA-N -1 3 379.420 3.587 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000820333400 606492792 /nfs/dbraw/zinc/49/27/92/606492792.db2.gz ARPFJSKPFMLXOG-INIZCTEOSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000820333400 606492793 /nfs/dbraw/zinc/49/27/93/606492793.db2.gz ARPFJSKPFMLXOG-INIZCTEOSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820562027 606503034 /nfs/dbraw/zinc/50/30/34/606503034.db2.gz CVXRXIXYNINIPP-ZDUSSCGKSA-N -1 3 381.867 3.815 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820562027 606503036 /nfs/dbraw/zinc/50/30/36/606503036.db2.gz CVXRXIXYNINIPP-ZDUSSCGKSA-N -1 3 381.867 3.815 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)nc1 ZINC000822266928 606513188 /nfs/dbraw/zinc/51/31/88/606513188.db2.gz KLCIPESFCLHOIH-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)nc1 ZINC000822266928 606513191 /nfs/dbraw/zinc/51/31/91/606513191.db2.gz KLCIPESFCLHOIH-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140745 606519972 /nfs/dbraw/zinc/51/99/72/606519972.db2.gz ZDNNQKYLTNRFQN-UHFFFAOYSA-N -1 3 393.394 3.756 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140745 606519974 /nfs/dbraw/zinc/51/99/74/606519974.db2.gz ZDNNQKYLTNRFQN-UHFFFAOYSA-N -1 3 393.394 3.756 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000821153490 606532851 /nfs/dbraw/zinc/53/28/51/606532851.db2.gz DICQHVIQPHWAIS-CQSZACIVSA-N -1 3 375.432 3.765 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000821153490 606532853 /nfs/dbraw/zinc/53/28/53/606532853.db2.gz DICQHVIQPHWAIS-CQSZACIVSA-N -1 3 375.432 3.765 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000823087574 606533404 /nfs/dbraw/zinc/53/34/04/606533404.db2.gz UBXOJLHBVSLQRA-NRFANRHFSA-N -1 3 383.455 3.926 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000823087574 606533406 /nfs/dbraw/zinc/53/34/06/606533406.db2.gz UBXOJLHBVSLQRA-NRFANRHFSA-N -1 3 383.455 3.926 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299731 606577528 /nfs/dbraw/zinc/57/75/28/606577528.db2.gz SMPZPKTUTCDLGY-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299731 606577530 /nfs/dbraw/zinc/57/75/30/606577530.db2.gz SMPZPKTUTCDLGY-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819950235 606578972 /nfs/dbraw/zinc/57/89/72/606578972.db2.gz FNLKXBYAORTKBG-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819950235 606578974 /nfs/dbraw/zinc/57/89/74/606578974.db2.gz FNLKXBYAORTKBG-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)cc1F ZINC000736111123 606588421 /nfs/dbraw/zinc/58/84/21/606588421.db2.gz KHCJUQGEOXOSKF-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)cc1F ZINC000736111123 606588423 /nfs/dbraw/zinc/58/84/23/606588423.db2.gz KHCJUQGEOXOSKF-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM CCCCCC[C@H](CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821049875 606592596 /nfs/dbraw/zinc/59/25/96/606592596.db2.gz NOUFAZFWEHLITP-KRWDZBQOSA-N -1 3 398.555 3.948 20 0 GHADHM CCCCCC[C@H](CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821049875 606592597 /nfs/dbraw/zinc/59/25/97/606592597.db2.gz NOUFAZFWEHLITP-KRWDZBQOSA-N -1 3 398.555 3.948 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1-c1cccc(Cl)c1 ZINC000822015127 606598689 /nfs/dbraw/zinc/59/86/89/606598689.db2.gz DIZGHCPRSPGVHY-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000820557001 606630083 /nfs/dbraw/zinc/63/00/83/606630083.db2.gz XDNZNVAMWYFJMN-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000820557001 606630084 /nfs/dbraw/zinc/63/00/84/606630084.db2.gz XDNZNVAMWYFJMN-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820555346 606630472 /nfs/dbraw/zinc/63/04/72/606630472.db2.gz JRKFAOGHGJQUQN-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820555346 606630474 /nfs/dbraw/zinc/63/04/74/606630474.db2.gz JRKFAOGHGJQUQN-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM Fc1cc(NCc2nnc(C3CC3)o2)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822753981 606656799 /nfs/dbraw/zinc/65/67/99/606656799.db2.gz VAICWGCMRCRJMY-UHFFFAOYSA-N -1 3 393.382 3.671 20 0 GHADHM Fc1cc(NCc2nnc(C3CC3)o2)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822753981 606656800 /nfs/dbraw/zinc/65/68/00/606656800.db2.gz VAICWGCMRCRJMY-UHFFFAOYSA-N -1 3 393.382 3.671 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000820384459 606661788 /nfs/dbraw/zinc/66/17/88/606661788.db2.gz FQNYKAMEKCQDCM-MRVPVSSYSA-N -1 3 397.307 3.655 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000820384459 606661789 /nfs/dbraw/zinc/66/17/89/606661789.db2.gz FQNYKAMEKCQDCM-MRVPVSSYSA-N -1 3 397.307 3.655 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2)cs1 ZINC000822418898 606663102 /nfs/dbraw/zinc/66/31/02/606663102.db2.gz IUUQVRKGBQSTQG-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2)cs1 ZINC000822418898 606663103 /nfs/dbraw/zinc/66/31/03/606663103.db2.gz IUUQVRKGBQSTQG-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820390506 606667607 /nfs/dbraw/zinc/66/76/07/606667607.db2.gz HTMJBFKJIJMJRF-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820390506 606667608 /nfs/dbraw/zinc/66/76/08/606667608.db2.gz HTMJBFKJIJMJRF-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM O=C(Cc1cccc(F)c1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823111449 606671226 /nfs/dbraw/zinc/67/12/26/606671226.db2.gz ILOAIBUSWJQRLV-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM O=C(Cc1cccc(F)c1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823111449 606671227 /nfs/dbraw/zinc/67/12/27/606671227.db2.gz ILOAIBUSWJQRLV-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM Cc1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C(C)C)s1 ZINC000822236092 606674558 /nfs/dbraw/zinc/67/45/58/606674558.db2.gz JRBNEZLXTGHCNP-UHFFFAOYSA-N -1 3 377.420 3.566 20 0 GHADHM Cc1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(C)C)s1 ZINC000822236092 606674559 /nfs/dbraw/zinc/67/45/59/606674559.db2.gz JRBNEZLXTGHCNP-UHFFFAOYSA-N -1 3 377.420 3.566 20 0 GHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823356035 606675812 /nfs/dbraw/zinc/67/58/12/606675812.db2.gz ISTXLRMDPYETNQ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823356035 606675813 /nfs/dbraw/zinc/67/58/13/606675813.db2.gz ISTXLRMDPYETNQ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000820027408 606679672 /nfs/dbraw/zinc/67/96/72/606679672.db2.gz ROIRVJOBWPHCBG-MRXNPFEDSA-N -1 3 391.809 3.925 20 0 GHADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000820027408 606679673 /nfs/dbraw/zinc/67/96/73/606679673.db2.gz ROIRVJOBWPHCBG-MRXNPFEDSA-N -1 3 391.809 3.925 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820913201 606680015 /nfs/dbraw/zinc/68/00/15/606680015.db2.gz DHZFLUSNUVCTRQ-ZDUSSCGKSA-N -1 3 391.809 3.549 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820913201 606680016 /nfs/dbraw/zinc/68/00/16/606680016.db2.gz DHZFLUSNUVCTRQ-ZDUSSCGKSA-N -1 3 391.809 3.549 20 0 GHADHM CC[C@@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC[C@H]1c1ccccc1 ZINC000820987686 606684169 /nfs/dbraw/zinc/68/41/69/606684169.db2.gz ATRDYEZZQSRNPJ-CZUORRHYSA-N -1 3 397.429 3.801 20 0 GHADHM CC[C@@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC[C@H]1c1ccccc1 ZINC000820987686 606684170 /nfs/dbraw/zinc/68/41/70/606684170.db2.gz ATRDYEZZQSRNPJ-CZUORRHYSA-N -1 3 397.429 3.801 20 0 GHADHM Cc1nc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)sc1C ZINC000822444358 606707892 /nfs/dbraw/zinc/70/78/92/606707892.db2.gz NHORTDHWUXMPSX-UHFFFAOYSA-N -1 3 379.449 3.739 20 0 GHADHM C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507241 606735281 /nfs/dbraw/zinc/73/52/81/606735281.db2.gz FYWLNUOUZZXOQD-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507241 606735282 /nfs/dbraw/zinc/73/52/82/606735282.db2.gz FYWLNUOUZZXOQD-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM COc1ccc(-c2ccccc2)cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000821733020 606770629 /nfs/dbraw/zinc/77/06/29/606770629.db2.gz XZBMJEHGTLCSCQ-UHFFFAOYSA-N -1 3 389.434 3.971 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc2ccccc2c1 ZINC000823032136 606781457 /nfs/dbraw/zinc/78/14/57/606781457.db2.gz OIEKXLMQIRWQIL-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc2ccccc2c1 ZINC000823032136 606781459 /nfs/dbraw/zinc/78/14/59/606781459.db2.gz OIEKXLMQIRWQIL-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820971242 606787100 /nfs/dbraw/zinc/78/71/00/606787100.db2.gz AALDBMGMDJZICO-RDTXWAMCSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820971242 606787101 /nfs/dbraw/zinc/78/71/01/606787101.db2.gz AALDBMGMDJZICO-RDTXWAMCSA-N -1 3 379.420 3.555 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(Oc2nc(-c3ccccn3)nc3c2CCC3)c1 ZINC000822573978 606789961 /nfs/dbraw/zinc/78/99/61/606789961.db2.gz MFQNFBAHDVKHNC-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(Oc2nc(-c3ccccn3)nc3c2CCC3)c1 ZINC000822573978 606789963 /nfs/dbraw/zinc/78/99/63/606789963.db2.gz MFQNFBAHDVKHNC-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230448 606798103 /nfs/dbraw/zinc/79/81/03/606798103.db2.gz GUZKXIKOJPIDGT-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230448 606798105 /nfs/dbraw/zinc/79/81/05/606798105.db2.gz GUZKXIKOJPIDGT-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCSC1 ZINC000822206219 606806333 /nfs/dbraw/zinc/80/63/33/606806333.db2.gz YLZILKDVWYDYTO-INIZCTEOSA-N -1 3 397.479 3.601 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCSC1 ZINC000822206219 606806335 /nfs/dbraw/zinc/80/63/35/606806335.db2.gz YLZILKDVWYDYTO-INIZCTEOSA-N -1 3 397.479 3.601 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000823309288 606810257 /nfs/dbraw/zinc/81/02/57/606810257.db2.gz VZQFWRKEAKXSEF-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000823309288 606810259 /nfs/dbraw/zinc/81/02/59/606810259.db2.gz VZQFWRKEAKXSEF-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM C[C@@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000820549715 606827686 /nfs/dbraw/zinc/82/76/86/606827686.db2.gz QREVAIYKZXLHHV-CYBMUJFWSA-N -1 3 394.460 3.790 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccc(F)c(F)c1F ZINC000823387549 606842913 /nfs/dbraw/zinc/84/29/13/606842913.db2.gz OLPPIMSOEVGUBB-UHFFFAOYSA-N -1 3 393.394 3.867 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccc(F)c(F)c1F ZINC000823387549 606842915 /nfs/dbraw/zinc/84/29/15/606842915.db2.gz OLPPIMSOEVGUBB-UHFFFAOYSA-N -1 3 393.394 3.867 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)c2ccccn2)cc1 ZINC000822136212 606849174 /nfs/dbraw/zinc/84/91/74/606849174.db2.gz JQIJNNNDMFWGEN-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000820548681 606851037 /nfs/dbraw/zinc/85/10/37/606851037.db2.gz FHEWUPMRTKGWKS-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000820548681 606851038 /nfs/dbraw/zinc/85/10/38/606851038.db2.gz FHEWUPMRTKGWKS-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM CCN(C(=O)COC/C=C\c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154735 606871822 /nfs/dbraw/zinc/87/18/22/606871822.db2.gz QULVWJAEAVPMLW-JEZWAEDTSA-N -1 3 391.475 3.506 20 0 GHADHM CCN(C(=O)COC/C=C\c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154735 606871823 /nfs/dbraw/zinc/87/18/23/606871823.db2.gz QULVWJAEAVPMLW-JEZWAEDTSA-N -1 3 391.475 3.506 20 0 GHADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821678402 606880995 /nfs/dbraw/zinc/88/09/95/606880995.db2.gz NKMVYJCGMJUSRD-GFCCVEGCSA-N -1 3 398.776 3.734 20 0 GHADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821678402 606880997 /nfs/dbraw/zinc/88/09/97/606880997.db2.gz NKMVYJCGMJUSRD-GFCCVEGCSA-N -1 3 398.776 3.734 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccccc2-n2cccn2)c(-c2nnn[n-]2)c1 ZINC000822729113 606924880 /nfs/dbraw/zinc/92/48/80/606924880.db2.gz TZFOCPLZNYFLNR-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccccc2-n2cccn2)c(-c2nn[n-]n2)c1 ZINC000822729113 606924881 /nfs/dbraw/zinc/92/48/81/606924881.db2.gz TZFOCPLZNYFLNR-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)C2)n1 ZINC000822197467 606932973 /nfs/dbraw/zinc/93/29/73/606932973.db2.gz BXPLJZLZNQYVSR-AWEZNQCLSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)C2)n1 ZINC000822197467 606932975 /nfs/dbraw/zinc/93/29/75/606932975.db2.gz BXPLJZLZNQYVSR-AWEZNQCLSA-N -1 3 391.401 3.540 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)cc(Cl)c1 ZINC000823061057 606937153 /nfs/dbraw/zinc/93/71/53/606937153.db2.gz UKKXEXFUMAFOCI-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)cc(Cl)c1 ZINC000823061057 606937155 /nfs/dbraw/zinc/93/71/55/606937155.db2.gz UKKXEXFUMAFOCI-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820051107 606940880 /nfs/dbraw/zinc/94/08/80/606940880.db2.gz LEIJQZOOPHCVFN-HXUWFJFHSA-N -1 3 393.516 3.741 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820051107 606940883 /nfs/dbraw/zinc/94/08/83/606940883.db2.gz LEIJQZOOPHCVFN-HXUWFJFHSA-N -1 3 393.516 3.741 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822403738 606958205 /nfs/dbraw/zinc/95/82/05/606958205.db2.gz SOZUXAJLISMIOW-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822403738 606958207 /nfs/dbraw/zinc/95/82/07/606958207.db2.gz SOZUXAJLISMIOW-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Fc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000822772010 606960566 /nfs/dbraw/zinc/96/05/66/606960566.db2.gz PBOUJGBBCLOLSJ-MRXNPFEDSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000822772010 606960567 /nfs/dbraw/zinc/96/05/67/606960567.db2.gz PBOUJGBBCLOLSJ-MRXNPFEDSA-N -1 3 380.452 3.953 20 0 GHADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574369 606962898 /nfs/dbraw/zinc/96/28/98/606962898.db2.gz DCMTUEYZSWJGDJ-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574369 606962901 /nfs/dbraw/zinc/96/29/01/606962901.db2.gz DCMTUEYZSWJGDJ-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822424672 606963266 /nfs/dbraw/zinc/96/32/66/606963266.db2.gz YRHSSFDPNAQCKD-UHFFFAOYSA-N -1 3 390.900 3.859 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822424672 606963267 /nfs/dbraw/zinc/96/32/67/606963267.db2.gz YRHSSFDPNAQCKD-UHFFFAOYSA-N -1 3 390.900 3.859 20 0 GHADHM Cc1ccc(C(=O)C2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000822224935 606964272 /nfs/dbraw/zinc/96/42/72/606964272.db2.gz GKZDPKVEJOSNGG-UHFFFAOYSA-N -1 3 393.466 3.718 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353037 606984861 /nfs/dbraw/zinc/98/48/61/606984861.db2.gz XHQNOKJSCVMJCI-NWDGAFQWSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353037 606984863 /nfs/dbraw/zinc/98/48/63/606984863.db2.gz XHQNOKJSCVMJCI-NWDGAFQWSA-N -1 3 398.417 3.535 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822207516 606987576 /nfs/dbraw/zinc/98/75/76/606987576.db2.gz YREKZKOVKGNYSZ-HNNXBMFYSA-N -1 3 376.464 3.806 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822207516 606987578 /nfs/dbraw/zinc/98/75/78/606987578.db2.gz YREKZKOVKGNYSZ-HNNXBMFYSA-N -1 3 376.464 3.806 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000823426430 606992679 /nfs/dbraw/zinc/99/26/79/606992679.db2.gz IFGUQVACRTYNIT-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000823426430 606992680 /nfs/dbraw/zinc/99/26/80/606992680.db2.gz IFGUQVACRTYNIT-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822271029 606992887 /nfs/dbraw/zinc/99/28/87/606992887.db2.gz JACDAGDWKLUZNJ-UHFFFAOYSA-N -1 3 386.459 3.770 20 0 GHADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822271029 606992888 /nfs/dbraw/zinc/99/28/88/606992888.db2.gz JACDAGDWKLUZNJ-UHFFFAOYSA-N -1 3 386.459 3.770 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822774902 607007118 /nfs/dbraw/zinc/00/71/18/607007118.db2.gz RZRYRMZICXWCPB-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822774902 607007120 /nfs/dbraw/zinc/00/71/20/607007120.db2.gz RZRYRMZICXWCPB-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822262587 607025002 /nfs/dbraw/zinc/02/50/02/607025002.db2.gz BPHOZRRIMFGSRC-CQSZACIVSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822262587 607025003 /nfs/dbraw/zinc/02/50/03/607025003.db2.gz BPHOZRRIMFGSRC-CQSZACIVSA-N -1 3 399.882 3.865 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2csc(-c3ccccn3)n2)c1 ZINC000822758007 607035141 /nfs/dbraw/zinc/03/51/41/607035141.db2.gz IVXRDIOIBQMOPJ-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2csc(-c3ccccn3)n2)c1 ZINC000822758007 607035142 /nfs/dbraw/zinc/03/51/42/607035142.db2.gz IVXRDIOIBQMOPJ-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM Cc1nnc([C@H](C)Sc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)o1 ZINC000822510447 607037774 /nfs/dbraw/zinc/03/77/74/607037774.db2.gz NGLDKWDUHOZPER-VIFPVBQESA-N -1 3 395.448 3.555 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000821118322 607042833 /nfs/dbraw/zinc/04/28/33/607042833.db2.gz LHTIHMRJGZZVII-HNNXBMFYSA-N -1 3 394.504 3.907 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc(-c2cccs2)n1 ZINC000823418714 607076664 /nfs/dbraw/zinc/07/66/64/607076664.db2.gz VCKNHWBAWWGRGX-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc(-c2cccs2)n1 ZINC000823418714 607076665 /nfs/dbraw/zinc/07/66/65/607076665.db2.gz VCKNHWBAWWGRGX-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000820548493 607093033 /nfs/dbraw/zinc/09/30/33/607093033.db2.gz ATGMEKOANDNKDI-TVQRCGJNSA-N -1 3 390.852 3.580 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000820548493 607093035 /nfs/dbraw/zinc/09/30/35/607093035.db2.gz ATGMEKOANDNKDI-TVQRCGJNSA-N -1 3 390.852 3.580 20 0 GHADHM CCN(Cc1csc(N(C)C2CC2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230708 607098403 /nfs/dbraw/zinc/09/84/03/607098403.db2.gz OEGKQFRIJGPOQX-CYBMUJFWSA-N -1 3 383.525 3.505 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccc(F)cc2nc1C ZINC000821304866 607101033 /nfs/dbraw/zinc/10/10/33/607101033.db2.gz SLQOPKSSFGJXTF-UHFFFAOYSA-N -1 3 391.410 3.547 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821293230 607101650 /nfs/dbraw/zinc/10/16/50/607101650.db2.gz IPIGXIHIMJAHMI-VQHVLOKHSA-N -1 3 397.508 3.704 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(Cl)cc1F ZINC000822177434 607144205 /nfs/dbraw/zinc/14/42/05/607144205.db2.gz ZGFRJZMURYYPDM-UHFFFAOYSA-N -1 3 376.823 3.776 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(Cl)cc1F ZINC000822177434 607144207 /nfs/dbraw/zinc/14/42/07/607144207.db2.gz ZGFRJZMURYYPDM-UHFFFAOYSA-N -1 3 376.823 3.776 20 0 GHADHM Fc1cc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc(F)c1F ZINC000822748127 607145835 /nfs/dbraw/zinc/14/58/35/607145835.db2.gz JEJUKDWZTDSAET-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1cc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc(F)c1F ZINC000822748127 607145837 /nfs/dbraw/zinc/14/58/37/607145837.db2.gz JEJUKDWZTDSAET-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)OC1CCCCCC1 ZINC000821699220 607152816 /nfs/dbraw/zinc/15/28/16/607152816.db2.gz HGVMIMLHZCIZHJ-NSHDSACASA-N -1 3 394.859 3.562 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)OC1CCCCCC1 ZINC000821699220 607152818 /nfs/dbraw/zinc/15/28/18/607152818.db2.gz HGVMIMLHZCIZHJ-NSHDSACASA-N -1 3 394.859 3.562 20 0 GHADHM Cc1cc2ccccc2nc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822212742 607173255 /nfs/dbraw/zinc/17/32/55/607173255.db2.gz FUZOYOSXRPNLOM-UHFFFAOYSA-N -1 3 386.459 3.771 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822284096 607177740 /nfs/dbraw/zinc/17/77/40/607177740.db2.gz JKDLWZKRHFCGNI-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822284096 607177741 /nfs/dbraw/zinc/17/77/41/607177741.db2.gz JKDLWZKRHFCGNI-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)c(Cl)c1 ZINC000823299276 607192732 /nfs/dbraw/zinc/19/27/32/607192732.db2.gz PKFAPCIHBZDFDH-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)c(Cl)c1 ZINC000823299276 607192733 /nfs/dbraw/zinc/19/27/33/607192733.db2.gz PKFAPCIHBZDFDH-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821016425 607194076 /nfs/dbraw/zinc/19/40/76/607194076.db2.gz WORUIRMGEAOYNL-SMDDNHRTSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821016425 607194077 /nfs/dbraw/zinc/19/40/77/607194077.db2.gz WORUIRMGEAOYNL-SMDDNHRTSA-N -1 3 394.426 3.901 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2cccc(Cl)c2)CC1 ZINC000823318698 607195300 /nfs/dbraw/zinc/19/53/00/607195300.db2.gz ICHPBASJWXWTAE-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2cccc(Cl)c2)CC1 ZINC000823318698 607195301 /nfs/dbraw/zinc/19/53/01/607195301.db2.gz ICHPBASJWXWTAE-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821782850 607197465 /nfs/dbraw/zinc/19/74/65/607197465.db2.gz PZSXWRNLRFLOCR-LLVKDONJSA-N -1 3 386.843 3.720 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821782850 607197466 /nfs/dbraw/zinc/19/74/66/607197466.db2.gz PZSXWRNLRFLOCR-LLVKDONJSA-N -1 3 386.843 3.720 20 0 GHADHM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823249722 607197571 /nfs/dbraw/zinc/19/75/71/607197571.db2.gz GYMIEHLEMWZOFJ-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823249722 607197572 /nfs/dbraw/zinc/19/75/72/607197572.db2.gz GYMIEHLEMWZOFJ-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1Cc1ccccc1 ZINC000823313472 607197757 /nfs/dbraw/zinc/19/77/57/607197757.db2.gz BUUVGQTXBMYINJ-OAHLLOKOSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1Cc1ccccc1 ZINC000823313472 607197758 /nfs/dbraw/zinc/19/77/58/607197758.db2.gz BUUVGQTXBMYINJ-OAHLLOKOSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823315491 607202231 /nfs/dbraw/zinc/20/22/31/607202231.db2.gz YMOAPNTXFLWWRG-CYBMUJFWSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823315491 607202232 /nfs/dbraw/zinc/20/22/32/607202232.db2.gz YMOAPNTXFLWWRG-CYBMUJFWSA-N -1 3 386.818 3.681 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000821777562 607203844 /nfs/dbraw/zinc/20/38/44/607203844.db2.gz IEOBSWHFQUNYSE-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000821777562 607203845 /nfs/dbraw/zinc/20/38/45/607203845.db2.gz IEOBSWHFQUNYSE-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)c1OC ZINC000821869013 607227370 /nfs/dbraw/zinc/22/73/70/607227370.db2.gz YGSCZECGAAOALZ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)c1OC ZINC000821869013 607227371 /nfs/dbraw/zinc/22/73/71/607227371.db2.gz YGSCZECGAAOALZ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM O[C@@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000823690799 607227968 /nfs/dbraw/zinc/22/79/68/607227968.db2.gz UYIQHDRIWSGRNS-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000823690799 607227969 /nfs/dbraw/zinc/22/79/69/607227969.db2.gz UYIQHDRIWSGRNS-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CC(C)COc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820103203 607237165 /nfs/dbraw/zinc/23/71/65/607237165.db2.gz PKQLLYGXTZNHFU-UHFFFAOYSA-N -1 3 395.463 3.698 20 0 GHADHM CC(C)COc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820103203 607237166 /nfs/dbraw/zinc/23/71/66/607237166.db2.gz PKQLLYGXTZNHFU-UHFFFAOYSA-N -1 3 395.463 3.698 20 0 GHADHM CCc1cc(C)c(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC000821470474 607237468 /nfs/dbraw/zinc/23/74/68/607237468.db2.gz PPLIMENPQWKORB-UHFFFAOYSA-N -1 3 377.404 3.771 20 0 GHADHM CCc1cc(C)c(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC000821470474 607237469 /nfs/dbraw/zinc/23/74/69/607237469.db2.gz PPLIMENPQWKORB-UHFFFAOYSA-N -1 3 377.404 3.771 20 0 GHADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823066358 607240789 /nfs/dbraw/zinc/24/07/89/607240789.db2.gz VZAJXEFDKIPSSA-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823066358 607240790 /nfs/dbraw/zinc/24/07/90/607240790.db2.gz VZAJXEFDKIPSSA-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c2c1 ZINC000822274544 607240881 /nfs/dbraw/zinc/24/08/81/607240881.db2.gz ALFIIDRVILEOCB-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c2c1 ZINC000822274544 607240882 /nfs/dbraw/zinc/24/08/82/607240882.db2.gz ALFIIDRVILEOCB-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822535384 607242381 /nfs/dbraw/zinc/24/23/81/607242381.db2.gz PWWDNTJPFSRNHD-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822535384 607242382 /nfs/dbraw/zinc/24/23/82/607242382.db2.gz PWWDNTJPFSRNHD-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974349 607242857 /nfs/dbraw/zinc/24/28/57/607242857.db2.gz IIVDCEWDLZJMRA-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974349 607242858 /nfs/dbraw/zinc/24/28/58/607242858.db2.gz IIVDCEWDLZJMRA-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000826326517 607782567 /nfs/dbraw/zinc/78/25/67/607782567.db2.gz SYKYDWYEZOLKBI-MRVPVSSYSA-N -1 3 388.884 3.662 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826326517 607782568 /nfs/dbraw/zinc/78/25/68/607782568.db2.gz SYKYDWYEZOLKBI-MRVPVSSYSA-N -1 3 388.884 3.662 20 0 GHADHM O=C(CSCCCCC(F)(F)F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826419529 607786036 /nfs/dbraw/zinc/78/60/36/607786036.db2.gz BRGKRMJWKMYOBF-UHFFFAOYSA-N -1 3 393.822 3.924 20 0 GHADHM O=C(CSCCCCC(F)(F)F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826419529 607786037 /nfs/dbraw/zinc/78/60/37/607786037.db2.gz BRGKRMJWKMYOBF-UHFFFAOYSA-N -1 3 393.822 3.924 20 0 GHADHM CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825818182 607790926 /nfs/dbraw/zinc/79/09/26/607790926.db2.gz WJXVUBPILVCNPP-UHFFFAOYSA-N -1 3 391.475 3.784 20 0 GHADHM CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825818182 607790927 /nfs/dbraw/zinc/79/09/27/607790927.db2.gz WJXVUBPILVCNPP-UHFFFAOYSA-N -1 3 391.475 3.784 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824843583 607795434 /nfs/dbraw/zinc/79/54/34/607795434.db2.gz HAASOWZKXRLZTI-UHFFFAOYSA-N -1 3 393.516 3.539 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824843583 607795435 /nfs/dbraw/zinc/79/54/35/607795435.db2.gz HAASOWZKXRLZTI-UHFFFAOYSA-N -1 3 393.516 3.539 20 0 GHADHM CCN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371747 607797526 /nfs/dbraw/zinc/79/75/26/607797526.db2.gz JVMKJKNVOQERLU-UHFFFAOYSA-N -1 3 386.459 3.848 20 0 GHADHM CCN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371747 607797527 /nfs/dbraw/zinc/79/75/27/607797527.db2.gz JVMKJKNVOQERLU-UHFFFAOYSA-N -1 3 386.459 3.848 20 0 GHADHM CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367447 607799833 /nfs/dbraw/zinc/79/98/33/607799833.db2.gz QFEGOSRYBBMOAC-MRXNPFEDSA-N -1 3 389.381 3.956 20 0 GHADHM CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367447 607799834 /nfs/dbraw/zinc/79/98/34/607799834.db2.gz QFEGOSRYBBMOAC-MRXNPFEDSA-N -1 3 389.381 3.956 20 0 GHADHM COc1ccc(CNc2cc(F)c(Br)cc2F)cc1-c1nnn[n-]1 ZINC000826203263 607807983 /nfs/dbraw/zinc/80/79/83/607807983.db2.gz GYEXAEHFIMNIKZ-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(CNc2cc(F)c(Br)cc2F)cc1-c1nn[n-]n1 ZINC000826203263 607807984 /nfs/dbraw/zinc/80/79/84/607807984.db2.gz GYEXAEHFIMNIKZ-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824469779 607819241 /nfs/dbraw/zinc/81/92/41/607819241.db2.gz BYKXIINKOMKNKH-KSSFIOAISA-N -1 3 379.464 3.600 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824469779 607819242 /nfs/dbraw/zinc/81/92/42/607819242.db2.gz BYKXIINKOMKNKH-KSSFIOAISA-N -1 3 379.464 3.600 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824469778 607819308 /nfs/dbraw/zinc/81/93/08/607819308.db2.gz BYKXIINKOMKNKH-KDOFPFPSSA-N -1 3 379.464 3.600 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824469778 607819309 /nfs/dbraw/zinc/81/93/09/607819309.db2.gz BYKXIINKOMKNKH-KDOFPFPSSA-N -1 3 379.464 3.600 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCSC(C)(C)C ZINC000825331903 607819355 /nfs/dbraw/zinc/81/93/55/607819355.db2.gz CPWNUQFWUQRTEG-UHFFFAOYSA-N -1 3 376.530 3.939 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c2c1 ZINC000826213479 607826594 /nfs/dbraw/zinc/82/65/94/607826594.db2.gz YAZGSIQBQHFLLL-UHFFFAOYSA-N -1 3 393.834 3.863 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c2c1 ZINC000826213479 607826595 /nfs/dbraw/zinc/82/65/95/607826595.db2.gz YAZGSIQBQHFLLL-UHFFFAOYSA-N -1 3 393.834 3.863 20 0 GHADHM CCOc1cccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825649720 607833150 /nfs/dbraw/zinc/83/31/50/607833150.db2.gz WAEWZLWHOMHWAP-UHFFFAOYSA-N -1 3 392.246 3.502 20 0 GHADHM CCOc1cccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825649720 607833151 /nfs/dbraw/zinc/83/31/51/607833151.db2.gz WAEWZLWHOMHWAP-UHFFFAOYSA-N -1 3 392.246 3.502 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826306476 607833339 /nfs/dbraw/zinc/83/33/39/607833339.db2.gz ZZWKINHMLXHMFW-SNVBAGLBSA-N -1 3 376.247 3.973 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826306476 607833340 /nfs/dbraw/zinc/83/33/40/607833340.db2.gz ZZWKINHMLXHMFW-SNVBAGLBSA-N -1 3 376.247 3.973 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826333586 607842186 /nfs/dbraw/zinc/84/21/86/607842186.db2.gz NNCGSHADIQBRTC-OAHLLOKOSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826333586 607842187 /nfs/dbraw/zinc/84/21/87/607842187.db2.gz NNCGSHADIQBRTC-OAHLLOKOSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)sc1C ZINC000826327078 607844663 /nfs/dbraw/zinc/84/46/63/607844663.db2.gz RDZRYMMQFMKHIE-VIFPVBQESA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)sc1C ZINC000826327078 607844664 /nfs/dbraw/zinc/84/46/64/607844664.db2.gz RDZRYMMQFMKHIE-VIFPVBQESA-N -1 3 394.913 3.713 20 0 GHADHM OC1(COc2ccccc2Oc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC000826506046 607877676 /nfs/dbraw/zinc/87/76/76/607877676.db2.gz LRTBLZCJQIFBFE-UHFFFAOYSA-N -1 3 384.411 3.872 20 0 GHADHM OC1(COc2ccccc2Oc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC000826506046 607877677 /nfs/dbraw/zinc/87/76/77/607877677.db2.gz LRTBLZCJQIFBFE-UHFFFAOYSA-N -1 3 384.411 3.872 20 0 GHADHM Cn1c2ccccc2nc1[C@@H](NCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826355072 607909226 /nfs/dbraw/zinc/90/92/26/607909226.db2.gz IZYLQKVPXJQQTN-NRFANRHFSA-N -1 3 395.470 3.633 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826323393 607913125 /nfs/dbraw/zinc/91/31/25/607913125.db2.gz CIEWVTXAYQXCMK-CYBMUJFWSA-N -1 3 384.509 3.517 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826323393 607913126 /nfs/dbraw/zinc/91/31/26/607913126.db2.gz CIEWVTXAYQXCMK-CYBMUJFWSA-N -1 3 384.509 3.517 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000824851681 607917382 /nfs/dbraw/zinc/91/73/82/607917382.db2.gz BXQWOJWFCQJVRL-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000824851681 607917383 /nfs/dbraw/zinc/91/73/83/607917383.db2.gz BXQWOJWFCQJVRL-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCSC1 ZINC000825820524 607918839 /nfs/dbraw/zinc/91/88/39/607918839.db2.gz JCWVMASADRKHNJ-HNNXBMFYSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCSC1 ZINC000825820524 607918840 /nfs/dbraw/zinc/91/88/40/607918840.db2.gz JCWVMASADRKHNJ-HNNXBMFYSA-N -1 3 396.476 3.628 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826298190 607931184 /nfs/dbraw/zinc/93/11/84/607931184.db2.gz HULWVJOYJCIYTJ-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826298190 607931185 /nfs/dbraw/zinc/93/11/85/607931185.db2.gz HULWVJOYJCIYTJ-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826224332 607937601 /nfs/dbraw/zinc/93/76/01/607937601.db2.gz AHTKIXZJGKGYQV-AWEZNQCLSA-N -1 3 397.504 3.834 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826224332 607937602 /nfs/dbraw/zinc/93/76/02/607937602.db2.gz AHTKIXZJGKGYQV-AWEZNQCLSA-N -1 3 397.504 3.834 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826322914 607950093 /nfs/dbraw/zinc/95/00/93/607950093.db2.gz HFCCFICYBONICJ-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826322914 607950094 /nfs/dbraw/zinc/95/00/94/607950094.db2.gz HFCCFICYBONICJ-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1c(Cl)cccc1Cl ZINC000824038883 607952840 /nfs/dbraw/zinc/95/28/40/607952840.db2.gz AADGULGFWRYTPR-SNVBAGLBSA-N -1 3 388.258 3.866 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1c(Cl)cccc1Cl ZINC000824038883 607952841 /nfs/dbraw/zinc/95/28/41/607952841.db2.gz AADGULGFWRYTPR-SNVBAGLBSA-N -1 3 388.258 3.866 20 0 GHADHM CC(C)CN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249466 607962209 /nfs/dbraw/zinc/96/22/09/607962209.db2.gz ODNFEPGIGUEQET-FPYGCLRLSA-N -1 3 382.855 3.618 20 0 GHADHM CC(C)CN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249466 607962210 /nfs/dbraw/zinc/96/22/10/607962210.db2.gz ODNFEPGIGUEQET-FPYGCLRLSA-N -1 3 382.855 3.618 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367049 607978326 /nfs/dbraw/zinc/97/83/26/607978326.db2.gz ILQHACSVFBJXQV-HQIZRNBFSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367049 607978327 /nfs/dbraw/zinc/97/83/27/607978327.db2.gz ILQHACSVFBJXQV-HQIZRNBFSA-N -1 3 382.855 3.538 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262047 607980754 /nfs/dbraw/zinc/98/07/54/607980754.db2.gz CLMQYAQXLWJJHL-YJYMSZOUSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262047 607980755 /nfs/dbraw/zinc/98/07/55/607980755.db2.gz CLMQYAQXLWJJHL-YJYMSZOUSA-N -1 3 394.454 3.826 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C1CCC(F)(F)CC1 ZINC000825605010 608000441 /nfs/dbraw/zinc/00/04/41/608000441.db2.gz NHDQGBDIDOPVDP-UHFFFAOYSA-N -1 3 386.786 3.650 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C1CCC(F)(F)CC1 ZINC000825605010 608000442 /nfs/dbraw/zinc/00/04/42/608000442.db2.gz NHDQGBDIDOPVDP-UHFFFAOYSA-N -1 3 386.786 3.650 20 0 GHADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1Cl ZINC000826177848 608005887 /nfs/dbraw/zinc/00/58/87/608005887.db2.gz YAUPZMWSUKUFLM-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1Cl ZINC000826177848 608005888 /nfs/dbraw/zinc/00/58/88/608005888.db2.gz YAUPZMWSUKUFLM-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM Cc1cc([C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262100 608009315 /nfs/dbraw/zinc/00/93/15/608009315.db2.gz DTTVIRHMOZHDAT-WAEYIKQSSA-N -1 3 377.423 3.595 20 0 GHADHM Cc1cc([C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262100 608009316 /nfs/dbraw/zinc/00/93/16/608009316.db2.gz DTTVIRHMOZHDAT-WAEYIKQSSA-N -1 3 377.423 3.595 20 0 GHADHM C[C@@H](Cc1ccccc1F)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824458277 608015461 /nfs/dbraw/zinc/01/54/61/608015461.db2.gz VAHZCCVTVLQJOX-VIFPVBQESA-N -1 3 394.237 3.674 20 0 GHADHM C[C@@H](Cc1ccccc1F)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824458277 608015462 /nfs/dbraw/zinc/01/54/62/608015462.db2.gz VAHZCCVTVLQJOX-VIFPVBQESA-N -1 3 394.237 3.674 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824521282 608026246 /nfs/dbraw/zinc/02/62/46/608026246.db2.gz JPJYGCUSHAMTBQ-CYBMUJFWSA-N -1 3 390.472 3.837 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824521282 608026247 /nfs/dbraw/zinc/02/62/47/608026247.db2.gz JPJYGCUSHAMTBQ-CYBMUJFWSA-N -1 3 390.472 3.837 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826408562 608032182 /nfs/dbraw/zinc/03/21/82/608032182.db2.gz LVJRXANMGTZPTG-NRFANRHFSA-N -1 3 389.503 3.813 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826408562 608032183 /nfs/dbraw/zinc/03/21/83/608032183.db2.gz LVJRXANMGTZPTG-NRFANRHFSA-N -1 3 389.503 3.813 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(F)ccc1Br ZINC000825782949 608046405 /nfs/dbraw/zinc/04/64/05/608046405.db2.gz WPCIVXBBPAJRLS-UHFFFAOYSA-N -1 3 387.216 3.805 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(F)ccc1Br ZINC000825782949 608046406 /nfs/dbraw/zinc/04/64/06/608046406.db2.gz WPCIVXBBPAJRLS-UHFFFAOYSA-N -1 3 387.216 3.805 20 0 GHADHM CCCn1cc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cn1 ZINC000825363111 608055334 /nfs/dbraw/zinc/05/53/34/608055334.db2.gz UBSNDKUCSPMRBR-UHFFFAOYSA-N -1 3 389.463 3.664 20 0 GHADHM CCCn1cc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)cn1 ZINC000825363111 608055335 /nfs/dbraw/zinc/05/53/35/608055335.db2.gz UBSNDKUCSPMRBR-UHFFFAOYSA-N -1 3 389.463 3.664 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825159074 608067195 /nfs/dbraw/zinc/06/71/95/608067195.db2.gz IKVQZNIQAQJTJO-MOPGFXCFSA-N -1 3 385.418 3.670 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825159074 608067196 /nfs/dbraw/zinc/06/71/96/608067196.db2.gz IKVQZNIQAQJTJO-MOPGFXCFSA-N -1 3 385.418 3.670 20 0 GHADHM CC(C)c1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824347690 608072140 /nfs/dbraw/zinc/07/21/40/608072140.db2.gz KMYXRDMGWKCJIG-IBGZPJMESA-N -1 3 392.463 3.596 20 0 GHADHM CC(C)c1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824347690 608072141 /nfs/dbraw/zinc/07/21/41/608072141.db2.gz KMYXRDMGWKCJIG-IBGZPJMESA-N -1 3 392.463 3.596 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC(C)(C)C1 ZINC000824876859 608081692 /nfs/dbraw/zinc/08/16/92/608081692.db2.gz UPQGVQAZQPSATD-GPMSIDNRSA-N -1 3 397.523 3.619 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC(C)(C)C1 ZINC000824876859 608081693 /nfs/dbraw/zinc/08/16/93/608081693.db2.gz UPQGVQAZQPSATD-GPMSIDNRSA-N -1 3 397.523 3.619 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825242548 608089354 /nfs/dbraw/zinc/08/93/54/608089354.db2.gz UUHZRMXVFADGDT-PMACEKPBSA-N -1 3 397.523 3.763 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825242548 608089355 /nfs/dbraw/zinc/08/93/55/608089355.db2.gz UUHZRMXVFADGDT-PMACEKPBSA-N -1 3 397.523 3.763 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825242551 608089413 /nfs/dbraw/zinc/08/94/13/608089413.db2.gz UUHZRMXVFADGDT-WOJBJXKFSA-N -1 3 397.523 3.763 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825242551 608089414 /nfs/dbraw/zinc/08/94/14/608089414.db2.gz UUHZRMXVFADGDT-WOJBJXKFSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081704 608106392 /nfs/dbraw/zinc/10/63/92/608106392.db2.gz MKTNVAIJLVXNNV-STQMWFEESA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081704 608106393 /nfs/dbraw/zinc/10/63/93/608106393.db2.gz MKTNVAIJLVXNNV-STQMWFEESA-N -1 3 394.483 3.794 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826455222 608119311 /nfs/dbraw/zinc/11/93/11/608119311.db2.gz FGASZBGEFQTTIY-MRXNPFEDSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826455222 608119312 /nfs/dbraw/zinc/11/93/12/608119312.db2.gz FGASZBGEFQTTIY-MRXNPFEDSA-N -1 3 390.447 3.923 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824248810 608119397 /nfs/dbraw/zinc/11/93/97/608119397.db2.gz CNDSIQDEEGFSNV-CYBMUJFWSA-N -1 3 385.418 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824248810 608119398 /nfs/dbraw/zinc/11/93/98/608119398.db2.gz CNDSIQDEEGFSNV-CYBMUJFWSA-N -1 3 385.418 3.938 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000824078717 608131003 /nfs/dbraw/zinc/13/10/03/608131003.db2.gz JSQOJCQWCXOERL-MRXNPFEDSA-N -1 3 392.463 3.562 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000824078717 608131004 /nfs/dbraw/zinc/13/10/04/608131004.db2.gz JSQOJCQWCXOERL-MRXNPFEDSA-N -1 3 392.463 3.562 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824864361 608152686 /nfs/dbraw/zinc/15/26/86/608152686.db2.gz ASPIKHLAAYUWOM-BFUOFWGJSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824864361 608152687 /nfs/dbraw/zinc/15/26/87/608152687.db2.gz ASPIKHLAAYUWOM-BFUOFWGJSA-N -1 3 391.431 3.603 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297598 608163524 /nfs/dbraw/zinc/16/35/24/608163524.db2.gz MKIRTZLWYDNBGS-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297598 608163526 /nfs/dbraw/zinc/16/35/26/608163526.db2.gz MKIRTZLWYDNBGS-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM CC(C)C(=O)Nc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824185014 608221067 /nfs/dbraw/zinc/22/10/67/608221067.db2.gz PMFIYKYDIXTHSR-UHFFFAOYSA-N -1 3 387.447 3.622 20 0 GHADHM CC(C)C(=O)Nc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824185014 608221069 /nfs/dbraw/zinc/22/10/69/608221069.db2.gz PMFIYKYDIXTHSR-UHFFFAOYSA-N -1 3 387.447 3.622 20 0 GHADHM OC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826508622 608240240 /nfs/dbraw/zinc/24/02/40/608240240.db2.gz WFBYDQXUJXPYTD-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826508622 608240241 /nfs/dbraw/zinc/24/02/41/608240241.db2.gz WFBYDQXUJXPYTD-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000119722330 608268506 /nfs/dbraw/zinc/26/85/06/608268506.db2.gz BLUUKJWQCHIOHV-LPHOPBHVSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000119722330 608268508 /nfs/dbraw/zinc/26/85/08/608268508.db2.gz BLUUKJWQCHIOHV-LPHOPBHVSA-N -1 3 385.512 3.639 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824148395 608270209 /nfs/dbraw/zinc/27/02/09/608270209.db2.gz SWKWJGRPDBWHNL-ALCCZGGFSA-N -1 3 375.436 3.556 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824148395 608270211 /nfs/dbraw/zinc/27/02/11/608270211.db2.gz SWKWJGRPDBWHNL-ALCCZGGFSA-N -1 3 375.436 3.556 20 0 GHADHM Cc1cccc([C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c2ccccn2)c1 ZINC000826297198 608272828 /nfs/dbraw/zinc/27/28/28/608272828.db2.gz YLUHCALVUBPCDA-FQEVSTJZSA-N -1 3 399.458 3.790 20 0 GHADHM Cc1cccc([C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c2ccccn2)c1 ZINC000826297198 608272830 /nfs/dbraw/zinc/27/28/30/608272830.db2.gz YLUHCALVUBPCDA-FQEVSTJZSA-N -1 3 399.458 3.790 20 0 GHADHM Brc1ccsc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823831967 608279382 /nfs/dbraw/zinc/27/93/82/608279382.db2.gz HMINSXQHVOTRRU-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM Brc1ccsc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823831967 608279383 /nfs/dbraw/zinc/27/93/83/608279383.db2.gz HMINSXQHVOTRRU-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nn1 ZINC000826369349 608294395 /nfs/dbraw/zinc/29/43/95/608294395.db2.gz YTBXCBACMGGGOH-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nn1 ZINC000826369349 608294397 /nfs/dbraw/zinc/29/43/97/608294397.db2.gz YTBXCBACMGGGOH-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM Cc1sc(CCNc2nc(C)ccc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000826276745 608295517 /nfs/dbraw/zinc/29/55/17/608295517.db2.gz UQYSEIQNIHXZLX-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM Cc1sc(CCNc2nc(C)ccc2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000826276745 608295518 /nfs/dbraw/zinc/29/55/18/608295518.db2.gz UQYSEIQNIHXZLX-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM CC(C)(C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000824059530 608299822 /nfs/dbraw/zinc/29/98/22/608299822.db2.gz ZWFHWHYKEHDWJM-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM CC(C)(C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000824059530 608299823 /nfs/dbraw/zinc/29/98/23/608299823.db2.gz ZWFHWHYKEHDWJM-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM CCO[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000825576450 608304624 /nfs/dbraw/zinc/30/46/24/608304624.db2.gz HIGWDELQLHRGGV-HXUWFJFHSA-N -1 3 393.491 3.601 20 0 GHADHM CCO[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000825576450 608304626 /nfs/dbraw/zinc/30/46/26/608304626.db2.gz HIGWDELQLHRGGV-HXUWFJFHSA-N -1 3 393.491 3.601 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723272 608309331 /nfs/dbraw/zinc/30/93/31/608309331.db2.gz ONVKLSBRZLNGHD-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723272 608309333 /nfs/dbraw/zinc/30/93/33/608309333.db2.gz ONVKLSBRZLNGHD-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN([C@H](C)c2ccco2)C2CC2)c1-c1nnn[n-]1 ZINC000826332316 608317160 /nfs/dbraw/zinc/31/71/60/608317160.db2.gz QDJLVZVGADSVJE-OAHLLOKOSA-N -1 3 389.463 3.679 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN([C@H](C)c2ccco2)C2CC2)c1-c1nn[n-]n1 ZINC000826332316 608317161 /nfs/dbraw/zinc/31/71/61/608317161.db2.gz QDJLVZVGADSVJE-OAHLLOKOSA-N -1 3 389.463 3.679 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN([C@@H](C)c2ccco2)C2CC2)c1-c1nnn[n-]1 ZINC000826332315 608317375 /nfs/dbraw/zinc/31/73/75/608317375.db2.gz QDJLVZVGADSVJE-HNNXBMFYSA-N -1 3 389.463 3.679 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN([C@@H](C)c2ccco2)C2CC2)c1-c1nn[n-]n1 ZINC000826332315 608317377 /nfs/dbraw/zinc/31/73/77/608317377.db2.gz QDJLVZVGADSVJE-HNNXBMFYSA-N -1 3 389.463 3.679 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(OCC(F)(F)F)c1C ZINC000826170712 608320499 /nfs/dbraw/zinc/32/04/99/608320499.db2.gz MKGBHQJYAIBCAK-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(OCC(F)(F)F)c1C ZINC000826170712 608320501 /nfs/dbraw/zinc/32/05/01/608320501.db2.gz MKGBHQJYAIBCAK-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000824119797 608325439 /nfs/dbraw/zinc/32/54/39/608325439.db2.gz QKVOKZHWGSMQFM-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000824119797 608325441 /nfs/dbraw/zinc/32/54/41/608325441.db2.gz QKVOKZHWGSMQFM-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)N(C)Cc1ccccc1 ZINC000824046551 608348147 /nfs/dbraw/zinc/34/81/47/608348147.db2.gz TVDNCWWGCKBHOQ-CYBMUJFWSA-N -1 3 398.536 3.685 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)N(C)Cc1ccccc1 ZINC000824046551 608348149 /nfs/dbraw/zinc/34/81/49/608348149.db2.gz TVDNCWWGCKBHOQ-CYBMUJFWSA-N -1 3 398.536 3.685 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826525519 608374698 /nfs/dbraw/zinc/37/46/98/608374698.db2.gz NXKKYHABSQPHCI-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826525519 608374700 /nfs/dbraw/zinc/37/47/00/608374700.db2.gz NXKKYHABSQPHCI-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824402574 608411158 /nfs/dbraw/zinc/41/11/58/608411158.db2.gz XFTQBCBPQBKOPO-HNNXBMFYSA-N -1 3 382.512 3.880 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824402574 608411159 /nfs/dbraw/zinc/41/11/59/608411159.db2.gz XFTQBCBPQBKOPO-HNNXBMFYSA-N -1 3 382.512 3.880 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826170261 608470853 /nfs/dbraw/zinc/47/08/53/608470853.db2.gz UKUJGPUFEBJONX-HNNXBMFYSA-N -1 3 395.360 3.798 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826170261 608470855 /nfs/dbraw/zinc/47/08/55/608470855.db2.gz UKUJGPUFEBJONX-HNNXBMFYSA-N -1 3 395.360 3.798 20 0 GHADHM CC(C)(C)SCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824124768 608479874 /nfs/dbraw/zinc/47/98/74/608479874.db2.gz ZSZVXEVVAHPQCZ-UHFFFAOYSA-N -1 3 385.537 3.794 20 0 GHADHM CC(C)(C)SCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824124768 608479877 /nfs/dbraw/zinc/47/98/77/608479877.db2.gz ZSZVXEVVAHPQCZ-UHFFFAOYSA-N -1 3 385.537 3.794 20 0 GHADHM C[C@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824506795 608509157 /nfs/dbraw/zinc/50/91/57/608509157.db2.gz QKRMMZYQOFGCSW-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824506795 608509158 /nfs/dbraw/zinc/50/91/58/608509158.db2.gz QKRMMZYQOFGCSW-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000824563094 608534615 /nfs/dbraw/zinc/53/46/15/608534615.db2.gz LDXIHFBEVZSLOV-QMMMGPOBSA-N -1 3 397.291 3.524 20 0 GHADHM C[C@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000824563094 608534617 /nfs/dbraw/zinc/53/46/17/608534617.db2.gz LDXIHFBEVZSLOV-QMMMGPOBSA-N -1 3 397.291 3.524 20 0 GHADHM C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824712774 608550651 /nfs/dbraw/zinc/55/06/51/608550651.db2.gz CWIYOYVHAPFWDE-LBPRGKRZSA-N -1 3 395.444 3.546 20 0 GHADHM C[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824712774 608550653 /nfs/dbraw/zinc/55/06/53/608550653.db2.gz CWIYOYVHAPFWDE-LBPRGKRZSA-N -1 3 395.444 3.546 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3ccccc3-c3nnn[n-]3)cs2)cc1 ZINC000826288346 608568825 /nfs/dbraw/zinc/56/88/25/608568825.db2.gz BYRQZIURDANQFV-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3ccccc3-c3nn[n-]n3)cs2)cc1 ZINC000826288346 608568826 /nfs/dbraw/zinc/56/88/26/608568826.db2.gz BYRQZIURDANQFV-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000824135927 608571112 /nfs/dbraw/zinc/57/11/12/608571112.db2.gz KJRLGFUCQRHEBP-UHFFFAOYSA-N -1 3 376.464 3.690 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000824135927 608571113 /nfs/dbraw/zinc/57/11/13/608571113.db2.gz KJRLGFUCQRHEBP-UHFFFAOYSA-N -1 3 376.464 3.690 20 0 GHADHM CCCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825356852 608573330 /nfs/dbraw/zinc/57/33/30/608573330.db2.gz MZZHIUOXYQFQFI-UHFFFAOYSA-N -1 3 381.827 3.532 20 0 GHADHM CCCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825356852 608573332 /nfs/dbraw/zinc/57/33/32/608573332.db2.gz MZZHIUOXYQFQFI-UHFFFAOYSA-N -1 3 381.827 3.532 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826371691 608580295 /nfs/dbraw/zinc/58/02/95/608580295.db2.gz PWFFDPSJQNGWAS-INIZCTEOSA-N -1 3 379.361 3.659 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826371691 608580297 /nfs/dbraw/zinc/58/02/97/608580297.db2.gz PWFFDPSJQNGWAS-INIZCTEOSA-N -1 3 379.361 3.659 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826454028 608610069 /nfs/dbraw/zinc/61/00/69/608610069.db2.gz HNJDFOVSLMCEPW-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826454028 608610071 /nfs/dbraw/zinc/61/00/71/608610071.db2.gz HNJDFOVSLMCEPW-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826355311 608620572 /nfs/dbraw/zinc/62/05/72/608620572.db2.gz SVUPBJIFKCYLGM-QGZVFWFLSA-N -1 3 379.493 3.542 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826355311 608620574 /nfs/dbraw/zinc/62/05/74/608620574.db2.gz SVUPBJIFKCYLGM-QGZVFWFLSA-N -1 3 379.493 3.542 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000825788450 608660334 /nfs/dbraw/zinc/66/03/34/608660334.db2.gz QTYOOVMFZNNOLP-MRXNPFEDSA-N -1 3 379.493 3.635 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000825788450 608660335 /nfs/dbraw/zinc/66/03/35/608660335.db2.gz QTYOOVMFZNNOLP-MRXNPFEDSA-N -1 3 379.493 3.635 20 0 GHADHM COc1cc(C)nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826178822 608751176 /nfs/dbraw/zinc/75/11/76/608751176.db2.gz NYWQYVFSAAZUDX-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000824753069 608823778 /nfs/dbraw/zinc/82/37/78/608823778.db2.gz BREVFRBGBVFRCM-ABAIWWIYSA-N -1 3 398.385 3.688 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000824753069 608823781 /nfs/dbraw/zinc/82/37/81/608823781.db2.gz BREVFRBGBVFRCM-ABAIWWIYSA-N -1 3 398.385 3.688 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825012088 608825028 /nfs/dbraw/zinc/82/50/28/608825028.db2.gz DHKJYNPMOIUEQH-JRNZPDHYSA-N -1 3 377.423 3.553 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825012088 608825031 /nfs/dbraw/zinc/82/50/31/608825031.db2.gz DHKJYNPMOIUEQH-JRNZPDHYSA-N -1 3 377.423 3.553 20 0 GHADHM Cc1cc(C)cc(C2=CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264273 608829068 /nfs/dbraw/zinc/82/90/68/608829068.db2.gz IBDJJVYAYKEYNI-UHFFFAOYSA-N -1 3 387.487 3.732 20 0 GHADHM Cc1cc(C)cc(C2=CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264273 608829070 /nfs/dbraw/zinc/82/90/70/608829070.db2.gz IBDJJVYAYKEYNI-UHFFFAOYSA-N -1 3 387.487 3.732 20 0 GHADHM Cc1cccc(C2=CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826298011 608883735 /nfs/dbraw/zinc/88/37/35/608883735.db2.gz ZILQKUDBPAAIBR-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM Cc1cccc(C2=CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826298011 608883737 /nfs/dbraw/zinc/88/37/37/608883737.db2.gz ZILQKUDBPAAIBR-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM C[C@H](NCc1ccccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627539 609138656 /nfs/dbraw/zinc/13/86/56/609138656.db2.gz YHYXAWSAXSBKEV-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM C[C@H](NCc1ccccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627539 609138657 /nfs/dbraw/zinc/13/86/57/609138657.db2.gz YHYXAWSAXSBKEV-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM C[C@@H](NCc1sccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824634319 609150830 /nfs/dbraw/zinc/15/08/30/609150830.db2.gz VNIAAVHTNRXHPO-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@@H](NCc1sccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824634319 609150833 /nfs/dbraw/zinc/15/08/33/609150833.db2.gz VNIAAVHTNRXHPO-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824907750 609159413 /nfs/dbraw/zinc/15/94/13/609159413.db2.gz KADBSGKKNLVUCA-WPRPVWTQSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824907750 609159414 /nfs/dbraw/zinc/15/94/14/609159414.db2.gz KADBSGKKNLVUCA-WPRPVWTQSA-N -1 3 388.781 3.715 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CC[C@H](C)O2)c1-c1nnn[n-]1 ZINC000826233549 609168311 /nfs/dbraw/zinc/16/83/11/609168311.db2.gz LXHQILJYDFRQAD-SUMWQHHRSA-N -1 3 394.479 3.560 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CC[C@H](C)O2)c1-c1nn[n-]n1 ZINC000826233549 609168312 /nfs/dbraw/zinc/16/83/12/609168312.db2.gz LXHQILJYDFRQAD-SUMWQHHRSA-N -1 3 394.479 3.560 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826376266 609172490 /nfs/dbraw/zinc/17/24/90/609172490.db2.gz VSQVNKQAYKNXBI-LBPRGKRZSA-N -1 3 394.332 3.745 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826376266 609172492 /nfs/dbraw/zinc/17/24/92/609172492.db2.gz VSQVNKQAYKNXBI-LBPRGKRZSA-N -1 3 394.332 3.745 20 0 GHADHM O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427363 609204581 /nfs/dbraw/zinc/20/45/81/609204581.db2.gz NJNHZLORGSGYIX-QGZVFWFLSA-N -1 3 392.850 3.562 20 0 GHADHM O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427363 609204582 /nfs/dbraw/zinc/20/45/82/609204582.db2.gz NJNHZLORGSGYIX-QGZVFWFLSA-N -1 3 392.850 3.562 20 0 GHADHM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662286 609236944 /nfs/dbraw/zinc/23/69/44/609236944.db2.gz HMUVEUHBRKQMQV-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662286 609236945 /nfs/dbraw/zinc/23/69/45/609236945.db2.gz HMUVEUHBRKQMQV-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)nn1-c1cc(C)cc(C)c1 ZINC000826263887 609237492 /nfs/dbraw/zinc/23/74/92/609237492.db2.gz UOYUREPEBOUTSV-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)nn1-c1cc(C)cc(C)c1 ZINC000826263887 609237493 /nfs/dbraw/zinc/23/74/93/609237493.db2.gz UOYUREPEBOUTSV-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824648730 609254115 /nfs/dbraw/zinc/25/41/15/609254115.db2.gz JOLDWPBQVROVRR-SECBINFHSA-N -1 3 375.791 3.604 20 0 GHADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824648730 609254117 /nfs/dbraw/zinc/25/41/17/609254117.db2.gz JOLDWPBQVROVRR-SECBINFHSA-N -1 3 375.791 3.604 20 0 GHADHM CC(C)c1noc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000824371365 609265846 /nfs/dbraw/zinc/26/58/46/609265846.db2.gz BVUGMELEOJTZKF-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)c1noc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000824371365 609265847 /nfs/dbraw/zinc/26/58/47/609265847.db2.gz BVUGMELEOJTZKF-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM O=C(Nc1cnn(C(F)F)c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826459269 609267929 /nfs/dbraw/zinc/26/79/29/609267929.db2.gz CFGWMKPQFJEPRM-UHFFFAOYSA-N -1 3 397.345 3.503 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656789 609269977 /nfs/dbraw/zinc/26/99/77/609269977.db2.gz MWEOIEYUFGBISX-GKCIPKSASA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656789 609269979 /nfs/dbraw/zinc/26/99/79/609269979.db2.gz MWEOIEYUFGBISX-GKCIPKSASA-N -1 3 379.464 3.722 20 0 GHADHM c1snnc1-c1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826512957 609275836 /nfs/dbraw/zinc/27/58/36/609275836.db2.gz VGLIBBKIPNJVMC-KRWDZBQOSA-N -1 3 375.461 3.875 20 0 GHADHM c1snnc1-c1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826512957 609275837 /nfs/dbraw/zinc/27/58/37/609275837.db2.gz VGLIBBKIPNJVMC-KRWDZBQOSA-N -1 3 375.461 3.875 20 0 GHADHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1N1CCSCC1 ZINC000826270835 609277344 /nfs/dbraw/zinc/27/73/44/609277344.db2.gz QQCVDAGDVFTUGG-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1N1CCSCC1 ZINC000826270835 609277345 /nfs/dbraw/zinc/27/73/45/609277345.db2.gz QQCVDAGDVFTUGG-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM CC(C)(C)c1nc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cs1 ZINC000824142451 609278481 /nfs/dbraw/zinc/27/84/81/609278481.db2.gz TYFBUHUSNZLGHE-UHFFFAOYSA-N -1 3 398.471 3.558 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCOC1 ZINC000824784470 609281804 /nfs/dbraw/zinc/28/18/04/609281804.db2.gz UOCOIFFTZFWHST-FQEVSTJZSA-N -1 3 397.410 3.553 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCOC1 ZINC000824784470 609281806 /nfs/dbraw/zinc/28/18/06/609281806.db2.gz UOCOIFFTZFWHST-FQEVSTJZSA-N -1 3 397.410 3.553 20 0 GHADHM Cc1cc(Cl)c(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826267715 609283347 /nfs/dbraw/zinc/28/33/47/609283347.db2.gz RRZOKSUDAAATBH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826306689 609300077 /nfs/dbraw/zinc/30/00/77/609300077.db2.gz HYFRWNIPEMDCFP-ZFWWWQNUSA-N -1 3 381.867 3.847 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826306689 609300079 /nfs/dbraw/zinc/30/00/79/609300079.db2.gz HYFRWNIPEMDCFP-ZFWWWQNUSA-N -1 3 381.867 3.847 20 0 GHADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454813 609301928 /nfs/dbraw/zinc/30/19/28/609301928.db2.gz MBEVFWPISCWHIO-UHFFFAOYSA-N -1 3 387.802 3.843 20 0 GHADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454813 609301930 /nfs/dbraw/zinc/30/19/30/609301930.db2.gz MBEVFWPISCWHIO-UHFFFAOYSA-N -1 3 387.802 3.843 20 0 GHADHM Cc1nnc(SCc2ccccc2Oc2cccnc2)c(-c2nnn[n-]2)c1C ZINC000826337194 609307533 /nfs/dbraw/zinc/30/75/33/609307533.db2.gz GDGDSPRDLCUQGH-UHFFFAOYSA-N -1 3 391.460 3.753 20 0 GHADHM Cc1nnc(SCc2ccccc2Oc2cccnc2)c(-c2nn[n-]n2)c1C ZINC000826337194 609307535 /nfs/dbraw/zinc/30/75/35/609307535.db2.gz GDGDSPRDLCUQGH-UHFFFAOYSA-N -1 3 391.460 3.753 20 0 GHADHM Fc1cccc(-n2ccc(NCc3cccc(Cl)c3F)n2)c1-c1nnn[n-]1 ZINC000826376479 609320580 /nfs/dbraw/zinc/32/05/80/609320580.db2.gz FZZMWVFSIXFKDN-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1COc1cccc2cccnc21 ZINC000823821078 609325393 /nfs/dbraw/zinc/32/53/93/609325393.db2.gz ONTBLNCXSYZQRY-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1COc1cccc2cccnc21 ZINC000823821078 609325395 /nfs/dbraw/zinc/32/53/95/609325395.db2.gz ONTBLNCXSYZQRY-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM c1ccc(-c2ccc(OCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)cn2)cc1 ZINC000826519273 609329996 /nfs/dbraw/zinc/32/99/96/609329996.db2.gz RFDJQEVUDUDDPM-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2ccc(OCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)cn2)cc1 ZINC000826519273 609329998 /nfs/dbraw/zinc/32/99/98/609329998.db2.gz RFDJQEVUDUDDPM-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CSc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826230673 609337357 /nfs/dbraw/zinc/33/73/57/609337357.db2.gz FCHVNAIQYVQDBJ-UHFFFAOYSA-N -1 3 377.477 3.601 20 0 GHADHM CSc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230673 609337359 /nfs/dbraw/zinc/33/73/59/609337359.db2.gz FCHVNAIQYVQDBJ-UHFFFAOYSA-N -1 3 377.477 3.601 20 0 GHADHM Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(OCC2CC2)c1 ZINC000826288467 609340515 /nfs/dbraw/zinc/34/05/15/609340515.db2.gz IFPIKQSMUIZQMR-AWEZNQCLSA-N -1 3 381.455 3.954 20 0 GHADHM C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663370 609346528 /nfs/dbraw/zinc/34/65/28/609346528.db2.gz YOTPOIFSDPUFNG-CYBMUJFWSA-N -1 3 380.427 3.696 20 0 GHADHM C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663370 609346530 /nfs/dbraw/zinc/34/65/30/609346530.db2.gz YOTPOIFSDPUFNG-CYBMUJFWSA-N -1 3 380.427 3.696 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826246471 609349853 /nfs/dbraw/zinc/34/98/53/609349853.db2.gz DTNWHVOVPIEQEA-GOSISDBHSA-N -1 3 377.423 3.680 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826246471 609349855 /nfs/dbraw/zinc/34/98/55/609349855.db2.gz DTNWHVOVPIEQEA-GOSISDBHSA-N -1 3 377.423 3.680 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826286060 609356226 /nfs/dbraw/zinc/35/62/26/609356226.db2.gz RDDGNAJNZMEUDQ-YSGRDPCXSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826286060 609356228 /nfs/dbraw/zinc/35/62/28/609356228.db2.gz RDDGNAJNZMEUDQ-YSGRDPCXSA-N -1 3 392.459 3.947 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825106590 609378699 /nfs/dbraw/zinc/37/86/99/609378699.db2.gz GCMBBEKFQXEBRP-CJNGLKHVSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825106590 609378702 /nfs/dbraw/zinc/37/87/02/609378702.db2.gz GCMBBEKFQXEBRP-CJNGLKHVSA-N -1 3 392.891 3.625 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@@H]1F ZINC000824948306 609380851 /nfs/dbraw/zinc/38/08/51/609380851.db2.gz TUXOKPSKHRNXEL-ACJLOTCBSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1F ZINC000824948306 609380852 /nfs/dbraw/zinc/38/08/52/609380852.db2.gz TUXOKPSKHRNXEL-ACJLOTCBSA-N -1 3 396.426 3.871 20 0 GHADHM Cc1nc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cs1 ZINC000826326876 609391458 /nfs/dbraw/zinc/39/14/58/609391458.db2.gz IVOAZJDYZZSKIQ-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cs1 ZINC000826326876 609391460 /nfs/dbraw/zinc/39/14/60/609391460.db2.gz IVOAZJDYZZSKIQ-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM CC[C@H](C)NC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825068450 609443381 /nfs/dbraw/zinc/44/33/81/609443381.db2.gz RWJYYCBIHQBUDW-KBPBESRZSA-N -1 3 380.521 3.857 20 0 GHADHM CC[C@H](C)NC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825068450 609443383 /nfs/dbraw/zinc/44/33/83/609443383.db2.gz RWJYYCBIHQBUDW-KBPBESRZSA-N -1 3 380.521 3.857 20 0 GHADHM FCc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826370504 609444605 /nfs/dbraw/zinc/44/46/05/609444605.db2.gz WDQUQNVHTRAGAV-UHFFFAOYSA-N -1 3 383.818 3.787 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2csc(C3CC3)n2)n1 ZINC000826350884 609446630 /nfs/dbraw/zinc/44/66/30/609446630.db2.gz OYWBOTSFBHOBKO-UHFFFAOYSA-N -1 3 398.883 3.652 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825232408 609450608 /nfs/dbraw/zinc/45/06/08/609450608.db2.gz GUAWWNHPEXMOJU-ZJUUUORDSA-N -1 3 387.431 3.671 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825232408 609450610 /nfs/dbraw/zinc/45/06/10/609450610.db2.gz GUAWWNHPEXMOJU-ZJUUUORDSA-N -1 3 387.431 3.671 20 0 GHADHM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457459 609464031 /nfs/dbraw/zinc/46/40/31/609464031.db2.gz CBKHEOKRVZQLEY-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457459 609464033 /nfs/dbraw/zinc/46/40/33/609464033.db2.gz CBKHEOKRVZQLEY-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC(F)F)cc1 ZINC000825632661 609477980 /nfs/dbraw/zinc/47/79/80/609477980.db2.gz ZCUBGMGYCYFNDS-UHFFFAOYSA-N -1 3 375.379 3.521 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC(F)F)cc1 ZINC000825632661 609477982 /nfs/dbraw/zinc/47/79/82/609477982.db2.gz ZCUBGMGYCYFNDS-UHFFFAOYSA-N -1 3 375.379 3.521 20 0 GHADHM CCc1nnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000825766541 609478108 /nfs/dbraw/zinc/47/81/08/609478108.db2.gz ALKLFUMOSNHYGY-UHFFFAOYSA-N -1 3 379.449 3.685 20 0 GHADHM CCOc1ccc(Br)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825631627 609478473 /nfs/dbraw/zinc/47/84/73/609478473.db2.gz FBQQEIJOTSRTGT-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1ccc(Br)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825631627 609478475 /nfs/dbraw/zinc/47/84/75/609478475.db2.gz FBQQEIJOTSRTGT-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1cc(Br)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825615786 609481232 /nfs/dbraw/zinc/48/12/32/609481232.db2.gz KRMAJZJQRIDLRV-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1cc(Br)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825615786 609481236 /nfs/dbraw/zinc/48/12/36/609481236.db2.gz KRMAJZJQRIDLRV-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM COC(=O)[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000826118243 609489815 /nfs/dbraw/zinc/48/98/15/609489815.db2.gz YPXXKOKKFGJUKF-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000826118243 609489818 /nfs/dbraw/zinc/48/98/18/609489818.db2.gz YPXXKOKKFGJUKF-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM Cc1cnc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c(C)c1 ZINC000826318245 609531391 /nfs/dbraw/zinc/53/13/91/609531391.db2.gz ZWJGLCHTZRYXLM-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cnc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c(C)c1 ZINC000826318245 609531393 /nfs/dbraw/zinc/53/13/93/609531393.db2.gz ZWJGLCHTZRYXLM-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826238828 609541372 /nfs/dbraw/zinc/54/13/72/609541372.db2.gz QGZGTTKYHBZTTA-LBPRGKRZSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826238828 609541374 /nfs/dbraw/zinc/54/13/74/609541374.db2.gz QGZGTTKYHBZTTA-LBPRGKRZSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2nccs2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238980 609548585 /nfs/dbraw/zinc/54/85/85/609548585.db2.gz VGXXQWDXYDSZMA-AWEZNQCLSA-N -1 3 383.868 3.882 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2nccs2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238980 609548587 /nfs/dbraw/zinc/54/85/87/609548587.db2.gz VGXXQWDXYDSZMA-AWEZNQCLSA-N -1 3 383.868 3.882 20 0 GHADHM Cc1c(Cl)cnc(NCc2c(F)cccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826240446 609566512 /nfs/dbraw/zinc/56/65/12/609566512.db2.gz SWRYPFRHYZDAMW-UHFFFAOYSA-N -1 3 384.749 3.576 20 0 GHADHM Cc1c(Cl)cnc(NCc2c(F)cccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826240446 609566513 /nfs/dbraw/zinc/56/65/13/609566513.db2.gz SWRYPFRHYZDAMW-UHFFFAOYSA-N -1 3 384.749 3.576 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824909314 609606213 /nfs/dbraw/zinc/60/62/13/609606213.db2.gz SUYDTSZEABGNJN-CMPLNLGQSA-N -1 3 399.421 3.618 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824909314 609606215 /nfs/dbraw/zinc/60/62/15/609606215.db2.gz SUYDTSZEABGNJN-CMPLNLGQSA-N -1 3 399.421 3.618 20 0 GHADHM Fc1cccc([C@@H](NCc2cccc(-c3nnn[n-]3)c2F)C(F)(F)F)c1F ZINC000826376678 609608821 /nfs/dbraw/zinc/60/88/21/609608821.db2.gz NPZLPNOGCAERJA-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2F)C(F)(F)F)c1F ZINC000826376678 609608822 /nfs/dbraw/zinc/60/88/22/609608822.db2.gz NPZLPNOGCAERJA-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc(F)cc2n[n-]nc21 ZINC000431767193 837389185 /nfs/dbraw/zinc/38/91/85/837389185.db2.gz WAJXJUJEJXRWJQ-CQSZACIVSA-N -1 3 376.338 3.506 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](c2ccco2)C1 ZINC000683483414 837391255 /nfs/dbraw/zinc/39/12/55/837391255.db2.gz FPEFCLXEUMCWGS-LLVKDONJSA-N -1 3 387.233 3.513 20 0 GHADHM C[C@H](Sc1n[nH]c(CO)n1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000683454268 837392135 /nfs/dbraw/zinc/39/21/35/837392135.db2.gz GTGJDIBEMGEESS-ZETCQYMHSA-N -1 3 391.503 3.589 20 0 GHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000414373492 837475739 /nfs/dbraw/zinc/47/57/39/837475739.db2.gz MFKSCQSCOGNDAP-UHFFFAOYSA-N -1 3 375.446 3.630 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)CCC2CCCCC2)cnn1-c1ccccn1 ZINC000066555619 837778752 /nfs/dbraw/zinc/77/87/52/837778752.db2.gz SJAQQDPKUDCZRM-UHFFFAOYSA-N -1 3 383.496 3.512 20 0 GHADHM CC(C)Oc1cc(Br)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278287327 834526301 /nfs/dbraw/zinc/52/63/01/834526301.db2.gz ZNXOJWRXWAFZFW-NSHDSACASA-N -1 3 395.175 3.614 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)ccc1Cl ZINC000169868109 834549587 /nfs/dbraw/zinc/54/95/87/834549587.db2.gz CZVGSELBILWAGS-UHFFFAOYSA-N -1 3 393.270 3.734 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](c3ccc(C)cc3)C(C)C)no2)c(C)o1 ZINC000584436429 834613944 /nfs/dbraw/zinc/61/39/44/834613944.db2.gz GQFZDJFJTOSMNA-QGZVFWFLSA-N -1 3 389.477 3.642 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](CO)c3ccccc3Cl)nc2)n1 ZINC000583556982 834636713 /nfs/dbraw/zinc/63/67/13/834636713.db2.gz LHJVCAVYSNLASB-AWEZNQCLSA-N -1 3 384.867 3.648 20 0 GHADHM COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)OC(C)C ZINC000274664463 834692955 /nfs/dbraw/zinc/69/29/55/834692955.db2.gz GZXCAQNAKKQJRF-NRFANRHFSA-N -1 3 380.444 3.845 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(c2cccc(Cl)c2)CC1 ZINC000430169855 834737308 /nfs/dbraw/zinc/73/73/08/834737308.db2.gz UGMYBIVQTBBMET-UHFFFAOYSA-N -1 3 390.668 3.842 20 0 GHADHM COc1ccc(Br)c(CN(CCc2ccccc2)CC(=O)[O-])c1 ZINC000562914754 834753253 /nfs/dbraw/zinc/75/32/53/834753253.db2.gz WDRJNXIWDJSANO-UHFFFAOYSA-N -1 3 378.266 3.587 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000145120664 834809832 /nfs/dbraw/zinc/80/98/32/834809832.db2.gz AARFEUKVMPKHDS-IBGZPJMESA-N -1 3 393.443 3.728 20 0 GHADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC001211595287 834912782 /nfs/dbraw/zinc/91/27/82/834912782.db2.gz SSSXVZOMEROASR-SYJLOODJSA-N -1 3 378.604 3.856 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1c(Cl)cccc1Cl ZINC000047031925 834952441 /nfs/dbraw/zinc/95/24/41/834952441.db2.gz DBHXCAALTSQFRG-AWEZNQCLSA-N -1 3 389.304 3.702 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000536127439 835035984 /nfs/dbraw/zinc/03/59/84/835035984.db2.gz OWOFUTRJYCRADN-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccco2)cc1 ZINC000429004602 835093240 /nfs/dbraw/zinc/09/32/40/835093240.db2.gz QSTPXNKKSNSCQH-UHFFFAOYSA-N -1 3 384.457 3.878 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000280335977 835179336 /nfs/dbraw/zinc/17/93/36/835179336.db2.gz PNDHFMYEKBVRCF-UHFFFAOYSA-N -1 3 383.835 3.672 20 0 GHADHM COc1ccc([C@@H](NC(=O)NN=c2ccc(Cl)n[n-]2)c2ccc(C)cc2)cc1 ZINC000066360930 835191223 /nfs/dbraw/zinc/19/12/23/835191223.db2.gz FIVMNVLJNGWITJ-IBGZPJMESA-N -1 3 397.866 3.863 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-n4cccn4)cc3)nc(=O)c2c1C ZINC000021471346 835242879 /nfs/dbraw/zinc/24/28/79/835242879.db2.gz PPIKRYWTLUSCGA-LBPRGKRZSA-N -1 3 394.456 3.705 20 0 GHADHM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc3sccc3c([O-])c1)CCS2 ZINC000890599671 835338766 /nfs/dbraw/zinc/33/87/66/835338766.db2.gz BZUDAHPTNNJXMM-FWHMADFJSA-N -1 3 391.514 3.554 20 0 GHADHM Cc1cccc(C)c1-n1nnnc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000021542065 835343571 /nfs/dbraw/zinc/34/35/71/835343571.db2.gz JRSBDETWAOECOS-UHFFFAOYSA-N -1 3 394.456 3.692 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000030361906 835415522 /nfs/dbraw/zinc/41/55/22/835415522.db2.gz KRMYNOWMDLKUPS-OAHLLOKOSA-N -1 3 399.343 3.936 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000151510464 835479837 /nfs/dbraw/zinc/47/98/37/835479837.db2.gz CBUQALFBWPDJIN-UHFFFAOYSA-N -1 3 379.243 3.856 20 0 GHADHM O=S(=O)([N-]Cc1cccc(COCc2ccco2)c1)c1ccc(F)cc1F ZINC000030429297 835495723 /nfs/dbraw/zinc/49/57/23/835495723.db2.gz WYGXTTRODISQNV-UHFFFAOYSA-N -1 3 393.411 3.753 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)C1 ZINC000448158874 835505777 /nfs/dbraw/zinc/50/57/77/835505777.db2.gz WATMCMOBQJFKIB-FXAWDEMLSA-N -1 3 387.487 3.523 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000158699931 835505848 /nfs/dbraw/zinc/50/58/48/835505848.db2.gz PVRRKBOSGYKWAH-GXSJLCMTSA-N -1 3 399.818 3.526 20 0 GHADHM O=C(CCCOc1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000151551455 835521632 /nfs/dbraw/zinc/52/16/32/835521632.db2.gz SOSFHYUSMDKZBM-UHFFFAOYSA-N -1 3 382.229 3.769 20 0 GHADHM COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151558080 835525133 /nfs/dbraw/zinc/52/51/33/835525133.db2.gz CNYZBMBNMKWKIB-CABCVRRESA-N -1 3 376.250 3.583 20 0 GHADHM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@@H](c1ccccc1)N(C)C ZINC000584071595 835545525 /nfs/dbraw/zinc/54/55/25/835545525.db2.gz MISQIQKIFBVDJQ-DOMZBBRYSA-N -1 3 387.534 3.501 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F ZINC000548864936 835546835 /nfs/dbraw/zinc/54/68/35/835546835.db2.gz HMRUXSFSZRAAPU-UHFFFAOYSA-N -1 3 394.640 3.969 20 0 GHADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000500854875 844062831 /nfs/dbraw/zinc/06/28/31/844062831.db2.gz GMSRKAVQIMZJBU-UHFFFAOYSA-N -1 3 388.826 3.609 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000151613335 835656044 /nfs/dbraw/zinc/65/60/44/835656044.db2.gz LAEKWRUMIYFPOT-UHFFFAOYSA-N -1 3 399.244 3.644 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000151612800 835656057 /nfs/dbraw/zinc/65/60/57/835656057.db2.gz GAAPYOQIEIQAHE-NEPJUHHUSA-N -1 3 382.204 3.853 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1SCCc2ccccc21 ZINC000151647313 835682406 /nfs/dbraw/zinc/68/24/06/835682406.db2.gz IKFICZCHPOZCIK-MRXNPFEDSA-N -1 3 378.291 3.802 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1csc(-c2ccccc2)n1 ZINC000547716119 835689999 /nfs/dbraw/zinc/68/99/99/835689999.db2.gz WXOFWZVHHOUOND-HNNXBMFYSA-N -1 3 390.461 3.751 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511247414 835704785 /nfs/dbraw/zinc/70/47/85/835704785.db2.gz CCSQXGDFQVQCJT-CQSZACIVSA-N -1 3 390.383 3.620 20 0 GHADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001211611637 835752043 /nfs/dbraw/zinc/75/20/43/835752043.db2.gz LMXLVRFQKDJYSA-ZIAGYGMSSA-N -1 3 383.407 3.717 20 0 GHADHM CC(C)C1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000683261339 835784348 /nfs/dbraw/zinc/78/43/48/835784348.db2.gz LDDMJTFQBPJJQI-UHFFFAOYSA-N -1 3 383.673 3.672 20 0 GHADHM COc1ccc(Br)cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000426736182 844111990 /nfs/dbraw/zinc/11/19/90/844111990.db2.gz WYNOQHZNSATXSV-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)s1 ZINC000431641383 836022072 /nfs/dbraw/zinc/02/20/72/836022072.db2.gz XMALHGYIQZZRIF-UMSPYCQHSA-N -1 3 390.299 3.874 20 0 GHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000047417128 836077769 /nfs/dbraw/zinc/07/77/69/836077769.db2.gz HHDFFNMWNVIMFY-UHFFFAOYSA-N -1 3 387.288 3.932 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c2cccnc12 ZINC000052025446 844178613 /nfs/dbraw/zinc/17/86/13/844178613.db2.gz OATTUACPXZHXGF-UHFFFAOYSA-N -1 3 390.436 3.971 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1Cl ZINC000433443032 844176853 /nfs/dbraw/zinc/17/68/53/844176853.db2.gz KDPFEOZGPCTORI-AWEZNQCLSA-N -1 3 382.888 3.674 20 0 GHADHM Cc1csc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1Br ZINC000784959426 836657757 /nfs/dbraw/zinc/65/77/57/836657757.db2.gz MUDKQPXQEHDSJM-UHFFFAOYSA-N -1 3 395.234 3.932 20 0 GHADHM O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000175235235 836714906 /nfs/dbraw/zinc/71/49/06/836714906.db2.gz GQPSWLKKAQZACD-UHFFFAOYSA-N -1 3 395.890 3.988 20 0 GHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cn(Cc2cccs2)nn1 ZINC000175247238 836742816 /nfs/dbraw/zinc/74/28/16/836742816.db2.gz NTCIDFJDDATDRQ-UHFFFAOYSA-N -1 3 399.220 3.681 20 0 GHADHM Cc1ccc([C@H](NC(=O)c2ccccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000175335206 836795740 /nfs/dbraw/zinc/79/57/40/836795740.db2.gz TUTVQIYBOSCRAE-NRFANRHFSA-N -1 3 395.480 3.624 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414263705 836812464 /nfs/dbraw/zinc/81/24/64/836812464.db2.gz SPMKGKZSGHRPHC-RSNKEIGGSA-N -1 3 386.395 3.968 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)nc2)n1 ZINC000570402449 836816179 /nfs/dbraw/zinc/81/61/79/836816179.db2.gz YYNGRBAXNYWKNP-GOSISDBHSA-N -1 3 396.413 3.743 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000683405874 837004753 /nfs/dbraw/zinc/00/47/53/837004753.db2.gz HDQUMFKCHNRDIC-LBPRGKRZSA-N -1 3 380.370 3.964 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1c(F)cccc1Cl ZINC000175861200 837036018 /nfs/dbraw/zinc/03/60/18/837036018.db2.gz MEDVCEYCWKLWIT-MLGOLLRUSA-N -1 3 390.842 3.667 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c([O-])c1C ZINC000052202223 844229491 /nfs/dbraw/zinc/22/94/91/844229491.db2.gz WYSKNSAGSUYPTA-UHFFFAOYSA-N -1 3 375.490 3.975 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000120673872 837123981 /nfs/dbraw/zinc/12/39/81/837123981.db2.gz DBPAUDLKDFVHPH-CVEARBPZSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000120673872 837123987 /nfs/dbraw/zinc/12/39/87/837123987.db2.gz DBPAUDLKDFVHPH-CVEARBPZSA-N -1 3 387.365 3.552 20 0 GHADHM CCOc1ccccc1[C@](N)(C(=O)Nc1ccc(Cl)cc1[O-])C(F)(F)F ZINC000471302370 837147992 /nfs/dbraw/zinc/14/79/92/837147992.db2.gz BFBHOTBVAGMSCU-INIZCTEOSA-N -1 3 388.773 3.799 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)s1 ZINC000024575554 837196957 /nfs/dbraw/zinc/19/69/57/837196957.db2.gz QTAOMYYMHAZCJK-UHFFFAOYSA-N -1 3 382.371 3.513 20 0 GHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)OC(C)C ZINC000472617914 837926176 /nfs/dbraw/zinc/92/61/76/837926176.db2.gz AHWQJJIKGMGJDZ-AWEZNQCLSA-N -1 3 389.926 3.855 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H]4CCCC[C@@H]4C3)nc(=O)c2c1C ZINC000177544805 838003638 /nfs/dbraw/zinc/00/36/38/838003638.db2.gz AXZMJPQYPHNWQV-BFHYXJOUSA-N -1 3 389.521 3.653 20 0 GHADHM Cc1cccc(OCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000509900816 844291657 /nfs/dbraw/zinc/29/16/57/844291657.db2.gz KAEQESLOFZDQFW-UHFFFAOYSA-N -1 3 378.432 3.667 20 0 GHADHM CCc1nc(CN2CCC(CNC(=O)c3cc([O-])ccc3Cl)CC2)cs1 ZINC000377936752 838178079 /nfs/dbraw/zinc/17/80/79/838178079.db2.gz FTZYYNADTUFYKD-UHFFFAOYSA-N -1 3 393.940 3.707 20 0 GHADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000163828114 838243503 /nfs/dbraw/zinc/24/35/03/838243503.db2.gz AZNBIOLMRHIEAC-SECBINFHSA-N -1 3 390.383 3.766 20 0 GHADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000178335039 838324830 /nfs/dbraw/zinc/32/48/30/838324830.db2.gz SFYGYGHZCQETNA-UHFFFAOYSA-N -1 3 394.485 3.760 20 0 GHADHM O=C([N-]c1sc2c(c1C(=O)c1ccc(Cl)cn1)CCC2)c1cnsn1 ZINC000782914009 838370434 /nfs/dbraw/zinc/37/04/34/838370434.db2.gz JHPOWGWUZAYFEG-UHFFFAOYSA-N -1 3 390.877 3.620 20 0 GHADHM O=C(Nc1ccc2cccc(Cl)c2n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181340314 838582349 /nfs/dbraw/zinc/58/23/49/838582349.db2.gz MAXYSDGNRRTBFR-MRXNPFEDSA-N -1 3 395.846 3.837 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cncc(Br)c1 ZINC000044243529 838692895 /nfs/dbraw/zinc/69/28/95/838692895.db2.gz PNLQSJKAKVMPFU-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CC1(C)CC(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000548056002 838754900 /nfs/dbraw/zinc/75/49/00/838754900.db2.gz LYGHINPRNXAHDG-FQEVSTJZSA-N -1 3 380.488 3.806 20 0 GHADHM COc1ccc(Br)c(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000580085096 838837679 /nfs/dbraw/zinc/83/76/79/838837679.db2.gz MULHMTCZUWLEIB-QGZVFWFLSA-N -1 3 378.266 3.585 20 0 GHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H]1CC1(C)C ZINC000416279316 838875192 /nfs/dbraw/zinc/87/51/92/838875192.db2.gz SWJJOMVKTHHKNI-UKRRQHHQSA-N -1 3 393.484 3.509 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC000893213293 838923880 /nfs/dbraw/zinc/92/38/80/838923880.db2.gz REVQKRYVUVRDGH-UHFFFAOYSA-N -1 3 382.247 3.627 20 0 GHADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000183788497 839079256 /nfs/dbraw/zinc/07/92/56/839079256.db2.gz KDVMCPKZABIQNC-HRAATJIYSA-N -1 3 380.488 3.948 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c([O-])c1 ZINC000183799371 839081919 /nfs/dbraw/zinc/08/19/19/839081919.db2.gz PFCCVRGUADVCCO-KRWDZBQOSA-N -1 3 381.350 3.633 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OC ZINC000128062341 839202354 /nfs/dbraw/zinc/20/23/54/839202354.db2.gz QELBIMKYINPYPX-UHFFFAOYSA-N -1 3 376.800 3.768 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(F)cc1Br ZINC000416437351 839218194 /nfs/dbraw/zinc/21/81/94/839218194.db2.gz GXBCSLUREBZSQG-MRXNPFEDSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1noc(C)c1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000110415699 844422810 /nfs/dbraw/zinc/42/28/10/844422810.db2.gz SCQOZJHOUBHNPY-UHFFFAOYSA-N -1 3 379.239 3.825 20 0 GHADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000416484355 839311396 /nfs/dbraw/zinc/31/13/96/839311396.db2.gz SNWUMUZDCOFVQW-LLVKDONJSA-N -1 3 395.855 3.621 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)c(C)c1 ZINC000189384806 839444300 /nfs/dbraw/zinc/44/43/00/839444300.db2.gz KAFOWCNKOFUQNL-UHFFFAOYSA-N -1 3 396.516 3.541 20 0 GHADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000416577638 839452493 /nfs/dbraw/zinc/45/24/93/839452493.db2.gz AESKUCXMPOJUFZ-LKFCYVNXSA-N -1 3 396.734 3.584 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000416585359 839461334 /nfs/dbraw/zinc/46/13/34/839461334.db2.gz FDHVKTFOPBPYJR-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000580511724 839709947 /nfs/dbraw/zinc/70/99/47/839709947.db2.gz BIBLKISDYXAZJG-NNUKFRKNSA-N -1 3 398.413 3.506 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616826071 839932133 /nfs/dbraw/zinc/93/21/33/839932133.db2.gz HINQCWHLFRKQRY-HXUWFJFHSA-N -1 3 377.444 3.758 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3F)c2)n1 ZINC000500329836 840146926 /nfs/dbraw/zinc/14/69/26/840146926.db2.gz HLHJGLUMXPXWQE-ZDUSSCGKSA-N -1 3 381.407 3.957 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc4c(c3)NC(=O)CCS4)[nH][n-]2)c1 ZINC000512551625 844507720 /nfs/dbraw/zinc/50/77/20/844507720.db2.gz VZCMHGZEFUZMOS-UHFFFAOYSA-N -1 3 392.484 3.802 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1)c1cc(Br)ccc1Cl ZINC000513114423 844508762 /nfs/dbraw/zinc/50/87/62/844508762.db2.gz BMONLIGEJWWBJE-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000431909751 840293238 /nfs/dbraw/zinc/29/32/38/840293238.db2.gz RRTNRZUQZSFIJL-AWEZNQCLSA-N -1 3 376.250 3.510 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3c4ccccc4O[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000580856466 840339018 /nfs/dbraw/zinc/33/90/18/840339018.db2.gz MHQGBCGJXYACBC-MPBGBICISA-N -1 3 376.416 3.801 20 0 GHADHM O=C(NCCc1ccccc1)c1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000416980029 840340847 /nfs/dbraw/zinc/34/08/47/840340847.db2.gz AXNOCWQWOPZMSE-UHFFFAOYSA-N -1 3 388.471 3.644 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000500405142 840390280 /nfs/dbraw/zinc/39/02/80/840390280.db2.gz BRXHONYQPPNVAW-UHFFFAOYSA-N -1 3 378.394 3.936 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052509657 844537444 /nfs/dbraw/zinc/53/74/44/844537444.db2.gz PUTSDRHXDZEAKF-JXFKEZNVSA-N -1 3 396.487 3.661 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2csc(CCc3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000417144531 840501894 /nfs/dbraw/zinc/50/18/94/840501894.db2.gz IGQLKQKGIVHEDM-HHHXNRCGSA-N -1 3 399.541 3.750 20 0 GHADHM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186987993 840559298 /nfs/dbraw/zinc/55/92/98/840559298.db2.gz QIMPAXYELRKPGU-UHFFFAOYSA-N -1 3 392.864 3.864 20 0 GHADHM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1c([O-])cccc1Cl ZINC000581002265 840580608 /nfs/dbraw/zinc/58/06/08/840580608.db2.gz ADUPTIMZDKPYEH-UHFFFAOYSA-N -1 3 376.884 3.707 20 0 GHADHM COCc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ncn1 ZINC000581003753 840582607 /nfs/dbraw/zinc/58/26/07/840582607.db2.gz DBLVWIXTRHIHCT-UHFFFAOYSA-N -1 3 385.445 3.525 20 0 GHADHM CCc1nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)sc1C ZINC000047424918 840813075 /nfs/dbraw/zinc/81/30/75/840813075.db2.gz XJFVJTMZDOQDIM-UHFFFAOYSA-N -1 3 399.563 3.502 20 0 GHADHM O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000684167607 840886541 /nfs/dbraw/zinc/88/65/41/840886541.db2.gz NISRACFNQZPONZ-UHFFFAOYSA-N -1 3 384.435 3.755 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000610490281 840954375 /nfs/dbraw/zinc/95/43/75/840954375.db2.gz JVNRZSRDINPNRJ-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000417592038 841040332 /nfs/dbraw/zinc/04/03/32/841040332.db2.gz YMMAMMINWBUMDQ-IBGZPJMESA-N -1 3 385.460 3.956 20 0 GHADHM COc1cc(C[NH2+][C@@H](CCC(=O)[O-])c2ccccc2)cc(Br)c1[O-] ZINC000417603204 841048274 /nfs/dbraw/zinc/04/82/74/841048274.db2.gz QLSJWUNEBLOQKL-HNNXBMFYSA-N -1 3 394.265 3.859 20 0 GHADHM COC(=O)c1cccc(-c2nc(CN3CCCC[C@H]3CCC(=O)[O-])cs2)c1 ZINC000584842834 841051765 /nfs/dbraw/zinc/05/17/65/841051765.db2.gz HXIHEAYEKNHZCB-KRWDZBQOSA-N -1 3 388.489 3.816 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(F)(F)F ZINC000417630783 841069734 /nfs/dbraw/zinc/06/97/34/841069734.db2.gz RKZGQSDEIVKQDM-GXTWGEPZSA-N -1 3 395.805 3.641 20 0 GHADHM O=C([O-])[C@H]1C[C@@H](NCc2cc(Br)cc3c2OCC3)c2ccccc21 ZINC000417627575 841078434 /nfs/dbraw/zinc/07/84/34/841078434.db2.gz OLMIMYAAYYKPRS-DLBZAZTESA-N -1 3 388.261 3.787 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000511866176 841086580 /nfs/dbraw/zinc/08/65/80/841086580.db2.gz ABFBEYCEBNPUFL-UHFFFAOYSA-N -1 3 390.505 3.978 20 0 GHADHM Cc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000660752272 841154169 /nfs/dbraw/zinc/15/41/69/841154169.db2.gz UCTYJGZUAPMQAM-UHFFFAOYSA-N -1 3 383.883 3.934 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc3cc[nH]c32)cc1OC ZINC000548161095 841185007 /nfs/dbraw/zinc/18/50/07/841185007.db2.gz OLCHEWRLIYZBAH-UHFFFAOYSA-N -1 3 388.449 3.582 20 0 GHADHM CCSc1cccc(Br)c1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000581415441 841322365 /nfs/dbraw/zinc/32/23/65/841322365.db2.gz OHDVIMDVJOBCGE-UHFFFAOYSA-N -1 3 381.299 3.815 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000500051113 841334811 /nfs/dbraw/zinc/33/48/11/841334811.db2.gz WMAOEEVHYDWULN-DYVFJYSZSA-N -1 3 376.453 3.545 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(-c4ncon4)cc3)nc(=O)c2c1C ZINC000730629446 861193793 /nfs/dbraw/zinc/19/37/93/861193793.db2.gz QKHGIBZDEHSVEI-SNVBAGLBSA-N -1 3 396.428 3.982 20 0 GHADHM CCOCCOc1c(Cl)cccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001125501375 841375797 /nfs/dbraw/zinc/37/57/97/841375797.db2.gz JXAVPBBZZCYFAD-UHFFFAOYSA-N -1 3 386.835 3.849 20 0 GHADHM C[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704772 841385831 /nfs/dbraw/zinc/38/58/31/841385831.db2.gz NJTPJZPISXXVIJ-FDCMFXBMSA-N -1 3 395.503 3.841 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000730615642 861198298 /nfs/dbraw/zinc/19/82/98/861198298.db2.gz XNLFRHAYZQJUFT-VXGBXAGGSA-N -1 3 398.267 3.658 20 0 GHADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000160920491 841521520 /nfs/dbraw/zinc/52/15/20/841521520.db2.gz WCSPRMVVICDSPN-UHFFFAOYSA-N -1 3 382.344 3.851 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(NC(C)=O)ccc2[O-])[C@H](C)C2CC2)cc1 ZINC000581515740 841575761 /nfs/dbraw/zinc/57/57/61/841575761.db2.gz GEMWQRLYHOKHAL-CQSZACIVSA-N -1 3 382.460 3.800 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1)C1CCCC1 ZINC000656618139 841576186 /nfs/dbraw/zinc/57/61/86/841576186.db2.gz UNIHVDLVDMJHIQ-SFHVURJKSA-N -1 3 378.494 3.905 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2ncc(C)o2)c1)C1CCCCC1 ZINC000656623409 841593870 /nfs/dbraw/zinc/59/38/70/841593870.db2.gz RDJSYSZBOPOWRZ-GOSISDBHSA-N -1 3 378.494 3.987 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC001126071435 841658118 /nfs/dbraw/zinc/65/81/18/841658118.db2.gz WWAYDUBIPUCMSA-LLVKDONJSA-N -1 3 397.219 3.684 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc(C)nc3)cc2)cc1 ZINC000120283377 841677610 /nfs/dbraw/zinc/67/76/10/841677610.db2.gz OCYKEXBRSJMBBL-UHFFFAOYSA-N -1 3 395.484 3.680 20 0 GHADHM O=c1[n-]c(CN2CC[C@H](n3ncc4ccccc43)C2)nc2c3ccccc3oc21 ZINC000510433406 841682252 /nfs/dbraw/zinc/68/22/52/841682252.db2.gz BKZGPKUFGKEUII-HNNXBMFYSA-N -1 3 385.427 3.878 20 0 GHADHM C[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430612339 841696738 /nfs/dbraw/zinc/69/67/38/841696738.db2.gz SBBFOUBDLLDBTH-DTORHVGOSA-N -1 3 383.673 3.957 20 0 GHADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000581613669 841787155 /nfs/dbraw/zinc/78/71/55/841787155.db2.gz RGPBWOIEHITQLX-UHFFFAOYSA-N -1 3 383.366 3.723 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000656757360 841891539 /nfs/dbraw/zinc/89/15/39/841891539.db2.gz ONWLALASLJJVML-PWSUYJOCSA-N -1 3 385.304 3.669 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCCCC1 ZINC000036264165 842066309 /nfs/dbraw/zinc/06/63/09/842066309.db2.gz PWQDLINFANBSPR-UHFFFAOYSA-N -1 3 390.480 3.951 20 0 GHADHM CCOC(=O)c1sc2[n-]c(CSc3ccc(F)cc3)nc(=O)c2c1C ZINC000008482091 842077847 /nfs/dbraw/zinc/07/78/47/842077847.db2.gz LNRLMIAZPXMLHT-UHFFFAOYSA-N -1 3 378.450 3.901 20 0 GHADHM O=c1nc(CN[C@]23C[C@H]2COC32CCC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000933390411 842103677 /nfs/dbraw/zinc/10/36/77/842103677.db2.gz JLGKMDQKIWEWEF-YEJXKQKISA-N -1 3 397.475 3.592 20 0 GHADHM COC(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[n-]1 ZINC000581740412 842123750 /nfs/dbraw/zinc/12/37/50/842123750.db2.gz VVDDJPJBUBNGHN-UHFFFAOYSA-N -1 3 396.374 3.516 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000471692752 842174202 /nfs/dbraw/zinc/17/42/02/842174202.db2.gz LYEKDSTWMFXRQC-SFHVURJKSA-N -1 3 381.407 3.546 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)C(F)(F)F ZINC000655532384 842185895 /nfs/dbraw/zinc/18/58/95/842185895.db2.gz YNCYWGRSWMIKCO-AWEZNQCLSA-N -1 3 395.834 3.581 20 0 GHADHM O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000473146603 842188000 /nfs/dbraw/zinc/18/80/00/842188000.db2.gz AVUQZORBKWBRIN-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1ccc(Cl)cn1 ZINC000605875909 842192378 /nfs/dbraw/zinc/19/23/78/842192378.db2.gz AVMSOQKHGFYBCC-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM CC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCCC1 ZINC000585711889 842203479 /nfs/dbraw/zinc/20/34/79/842203479.db2.gz RHDWSUXIDLOVPS-IBGZPJMESA-N -1 3 382.508 3.548 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Cc1ccccc1Br ZINC000785068041 842236201 /nfs/dbraw/zinc/23/62/01/842236201.db2.gz KTVNFPYKDUCKHF-UHFFFAOYSA-N -1 3 378.247 3.961 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)cc1 ZINC000127318110 842258351 /nfs/dbraw/zinc/25/83/51/842258351.db2.gz QFPFOEXVVJWWKQ-UHFFFAOYSA-N -1 3 376.547 3.653 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000178162414 842280730 /nfs/dbraw/zinc/28/07/30/842280730.db2.gz LUBUTMJGHMMOIZ-HOTGVXAUSA-N -1 3 380.444 3.597 20 0 GHADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000613855860 842365465 /nfs/dbraw/zinc/36/54/65/842365465.db2.gz DLMGNSZYPQQXAB-LLVKDONJSA-N -1 3 377.824 3.914 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1)C1CC1 ZINC000244152422 842383169 /nfs/dbraw/zinc/38/31/69/842383169.db2.gz UVRXJDBHHLOLJB-UHFFFAOYSA-N -1 3 388.489 3.790 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc2c([nH]c1=O)CCCC2 ZINC000650485373 842398254 /nfs/dbraw/zinc/39/82/54/842398254.db2.gz UCAVBINYBIPHRE-UHFFFAOYSA-N -1 3 376.409 3.661 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)s1 ZINC000159156919 842455127 /nfs/dbraw/zinc/45/51/27/842455127.db2.gz IDWSGJYEIIPDOU-UHFFFAOYSA-N -1 3 399.540 3.726 20 0 GHADHM COc1ccc(-c2nc(CN(CCC(=O)[O-])CC3CC3)cs2)cc1OC ZINC000652468838 842591263 /nfs/dbraw/zinc/59/12/63/842591263.db2.gz ULJNNGSQCGWGKK-UHFFFAOYSA-N -1 3 376.478 3.514 20 0 GHADHM COc1cccc(OC)c1OCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652469748 842592547 /nfs/dbraw/zinc/59/25/47/842592547.db2.gz DLNHNWAXRIOPHZ-GOSISDBHSA-N -1 3 385.460 3.547 20 0 GHADHM Cc1cc(OCC(=O)N[N-]C(=O)c2ccc3ccccc3n2)ccc1C(C)C ZINC000027687501 842639941 /nfs/dbraw/zinc/63/99/41/842639941.db2.gz DWEXECADIVAHDA-UHFFFAOYSA-N -1 3 377.444 3.507 20 0 GHADHM C[C@@]1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCCOC1 ZINC000512148046 842648935 /nfs/dbraw/zinc/64/89/35/842648935.db2.gz PSCQKYMOPWXYBP-MRXNPFEDSA-N -1 3 398.688 3.670 20 0 GHADHM COC[C@](C)(NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(F)(F)F ZINC000662183284 842824265 /nfs/dbraw/zinc/82/42/65/842824265.db2.gz SBXWGSFNWSGPOO-HNNXBMFYSA-N -1 3 387.383 3.714 20 0 GHADHM COC(=O)C[C@@](C)(NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(F)c1 ZINC000473222364 842831281 /nfs/dbraw/zinc/83/12/81/842831281.db2.gz NFCAQGGLGMTTGV-JOCHJYFZSA-N -1 3 381.403 3.893 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c(C(=O)OCC)[n-]1 ZINC000276749929 842848482 /nfs/dbraw/zinc/84/84/82/842848482.db2.gz GGEXDJIKYYXVTF-UHFFFAOYSA-N -1 3 397.435 3.540 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000093930076 842897825 /nfs/dbraw/zinc/89/78/25/842897825.db2.gz LQYOBLGKNNBFAX-SNVBAGLBSA-N -1 3 378.222 3.717 20 0 GHADHM COc1ccc(Br)c(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000663260983 842942236 /nfs/dbraw/zinc/94/22/36/842942236.db2.gz FZDXDUCOWCOBJC-JTQLQIEISA-N -1 3 384.192 3.591 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)cc1 ZINC000663261016 842943263 /nfs/dbraw/zinc/94/32/63/842943263.db2.gz HEBPGPVRCIKEGQ-INIZCTEOSA-N -1 3 396.415 3.622 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000662217653 842945137 /nfs/dbraw/zinc/94/51/37/842945137.db2.gz HTACKIANJUCYOO-IAGOWNOFSA-N -1 3 386.536 3.708 20 0 GHADHM Cc1nn(-c2ccccc2Cl)cc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663263348 842948522 /nfs/dbraw/zinc/94/85/22/842948522.db2.gz YNXCVEFDDAVTNI-ZDUSSCGKSA-N -1 3 389.805 3.967 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc(C)co3)nc(=O)c2c1C ZINC000188472641 842968868 /nfs/dbraw/zinc/96/88/68/842968868.db2.gz AELWUMXJOQLGOF-VIFPVBQESA-N -1 3 379.463 3.619 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ncc(-c2ccccc2)o1 ZINC000163497994 843000855 /nfs/dbraw/zinc/00/08/55/843000855.db2.gz QYGDIAFXZCJKDS-GFCCVEGCSA-N -1 3 378.400 3.800 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000471876751 843168368 /nfs/dbraw/zinc/16/83/68/843168368.db2.gz ODLUJHVYKQYUTB-CYBMUJFWSA-N -1 3 389.452 3.619 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(OC[C@H]3CCCO3)c2)[nH][n-]1 ZINC000512330557 843406486 /nfs/dbraw/zinc/40/64/86/843406486.db2.gz KDUHJZQDTLRUGB-GOSISDBHSA-N -1 3 377.444 3.617 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000481459872 861421887 /nfs/dbraw/zinc/42/18/87/861421887.db2.gz PFGBAEIFVVXTJG-UHFFFAOYSA-N -1 3 393.582 3.727 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2F)CC1 ZINC000302956978 861424055 /nfs/dbraw/zinc/42/40/55/861424055.db2.gz FGIIXRKNUILJIR-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CC2CC2)CC2CCC2)cc1OC ZINC000279911680 843542390 /nfs/dbraw/zinc/54/23/90/843542390.db2.gz RXFRDVOZNXBUOQ-UHFFFAOYSA-N -1 3 395.525 3.501 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)c1 ZINC000500524819 843595162 /nfs/dbraw/zinc/59/51/62/843595162.db2.gz DNAHPVTVRCZQJI-SNVBAGLBSA-N -1 3 381.500 3.789 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(N2CCCCCC2)c1)c1cccc(Cl)c1F ZINC000500556151 843635771 /nfs/dbraw/zinc/63/57/71/843635771.db2.gz FODMJSSGHZCUBE-UHFFFAOYSA-N -1 3 397.903 3.733 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@](C)(F)C1 ZINC000500591930 843708149 /nfs/dbraw/zinc/70/81/49/843708149.db2.gz SASIYBKOJMSYGO-LJQANCHMSA-N -1 3 394.443 3.509 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1cc(Br)ccc1F ZINC000500602029 843713481 /nfs/dbraw/zinc/71/34/81/843713481.db2.gz NDUWDOZRIYOPDA-UHFFFAOYSA-N -1 3 384.270 3.598 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1Cl ZINC000432774138 843766508 /nfs/dbraw/zinc/76/65/08/843766508.db2.gz NQZGITUSQHPDJK-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(COCCc3ccccc3)c2)[n-]1 ZINC000432774739 843785781 /nfs/dbraw/zinc/78/57/81/843785781.db2.gz QSHHKKWAVJAIMK-UHFFFAOYSA-N -1 3 378.428 3.813 20 0 GHADHM FC(F)(F)c1[n-]c(=NCCCO[C@H]2CCCCO2)sc1Br ZINC000418930153 843789731 /nfs/dbraw/zinc/78/97/31/843789731.db2.gz BGYXWPFCQIZWKE-QMMMGPOBSA-N -1 3 389.237 3.692 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nc(C(F)(F)F)cs1 ZINC000481470597 861457779 /nfs/dbraw/zinc/45/77/79/861457779.db2.gz CJXLEFWLLTVENL-UHFFFAOYSA-N -1 3 396.188 3.952 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429881125 843845689 /nfs/dbraw/zinc/84/56/89/843845689.db2.gz BSTWNWKNPRVNPP-QWRGUYRKSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1Br ZINC000429894687 843906310 /nfs/dbraw/zinc/90/63/10/843906310.db2.gz FIMGIEVXOKJIPP-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM CC(C)(C)CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000481465039 861475702 /nfs/dbraw/zinc/47/57/02/861475702.db2.gz JJGUNLFGZOUETP-UHFFFAOYSA-N -1 3 396.534 3.665 20 0 GHADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000481465039 861475705 /nfs/dbraw/zinc/47/57/05/861475705.db2.gz JJGUNLFGZOUETP-UHFFFAOYSA-N -1 3 396.534 3.665 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccncc3)C3CC3)cc2)cc(=O)[n-]1 ZINC000509842747 843964317 /nfs/dbraw/zinc/96/43/17/843964317.db2.gz ACBWHZWDLMEPKL-UHFFFAOYSA-N -1 3 375.432 3.749 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2ccccc2C1 ZINC000028322875 844000812 /nfs/dbraw/zinc/00/08/12/844000812.db2.gz IPWUXXLMLBXDTR-CYBMUJFWSA-N -1 3 399.343 3.719 20 0 GHADHM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1cccc2cccnc21 ZINC000432949778 844701412 /nfs/dbraw/zinc/70/14/12/844701412.db2.gz QBXVPXGSBVGPFN-INIZCTEOSA-N -1 3 384.354 3.798 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000535854940 844803037 /nfs/dbraw/zinc/80/30/37/844803037.db2.gz JUKQLFPQSYNDPG-QGZVFWFLSA-N -1 3 379.416 3.859 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000132161083 844846835 /nfs/dbraw/zinc/84/68/35/844846835.db2.gz RSNWXEOJIARYCY-UHFFFAOYSA-N -1 3 380.448 3.569 20 0 GHADHM CCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCC1 ZINC000458310719 844898308 /nfs/dbraw/zinc/89/83/08/844898308.db2.gz RGBPEIYBQVYVQN-INIZCTEOSA-N -1 3 393.484 3.653 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1nnc2ccccc2c1[O-] ZINC000261441111 844975066 /nfs/dbraw/zinc/97/50/66/844975066.db2.gz FZENLZBFERUHHH-KRWDZBQOSA-N -1 3 383.423 3.698 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1-c1ncco1 ZINC000150943518 845099640 /nfs/dbraw/zinc/09/96/40/845099640.db2.gz ZYRIKQSWNBMBIZ-GOSISDBHSA-N -1 3 391.427 3.599 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3c(F)cccc3F)cc2)cc(=O)[n-]1 ZINC000509916878 845107372 /nfs/dbraw/zinc/10/73/72/845107372.db2.gz CDGJLVGXMQTMBT-UHFFFAOYSA-N -1 3 384.386 3.800 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000645094022 845120947 /nfs/dbraw/zinc/12/09/47/845120947.db2.gz VREXMJKSHCZHKB-ZDUSSCGKSA-N -1 3 387.408 3.582 20 0 GHADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)C ZINC000433678634 845185397 /nfs/dbraw/zinc/18/53/97/845185397.db2.gz QLTSNELCJUAKLP-NSHDSACASA-N -1 3 384.361 3.549 20 0 GHADHM CC(C)(C)n1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cn1 ZINC000657224003 845231019 /nfs/dbraw/zinc/23/10/19/845231019.db2.gz BJZNDKWCMFGEDR-UHFFFAOYSA-N -1 3 380.477 3.765 20 0 GHADHM Cc1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000433727515 845257517 /nfs/dbraw/zinc/25/75/17/845257517.db2.gz IBOXXKVZNGCTBC-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000433727515 845257523 /nfs/dbraw/zinc/25/75/23/845257523.db2.gz IBOXXKVZNGCTBC-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM O=S(=O)([N-]Cc1nccn1CCCc1ccccc1)c1ccc(Cl)s1 ZINC000181719190 845281023 /nfs/dbraw/zinc/28/10/23/845281023.db2.gz OLZYJQGBTOMJMH-UHFFFAOYSA-N -1 3 395.937 3.709 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(Cl)c2)c1 ZINC000179391951 861561305 /nfs/dbraw/zinc/56/13/05/861561305.db2.gz HLRVUZJZMUKMRM-UHFFFAOYSA-N -1 3 399.834 3.567 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(NCc3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000513435997 845434971 /nfs/dbraw/zinc/43/49/71/845434971.db2.gz ZTBWHYDTQNIANG-STQMWFEESA-N -1 3 376.403 3.532 20 0 GHADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000512772183 845474981 /nfs/dbraw/zinc/47/49/81/845474981.db2.gz WFTSQEWDMPRUPY-UHFFFAOYSA-N -1 3 380.423 3.880 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)cc2)cc1OC ZINC000277284551 845537729 /nfs/dbraw/zinc/53/77/29/845537729.db2.gz MCDLGSITXJURDG-OAHLLOKOSA-N -1 3 381.375 3.611 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC(C)C)cc1C)OCC ZINC001211809699 845594891 /nfs/dbraw/zinc/59/48/91/845594891.db2.gz KLAMGASATPOCPJ-UHFFFAOYSA-N -1 3 375.469 3.963 20 0 GHADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000179463284 861590957 /nfs/dbraw/zinc/59/09/57/861590957.db2.gz YARJOQIVNVYLHC-UHFFFAOYSA-N -1 3 388.880 3.974 20 0 GHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)cc1 ZINC000115311761 845756264 /nfs/dbraw/zinc/75/62/64/845756264.db2.gz YTEUEMPOLKEVPK-UHFFFAOYSA-N -1 3 390.505 3.540 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000157629013 846018810 /nfs/dbraw/zinc/01/88/10/846018810.db2.gz XRBGRNKBMFVQEN-AWEZNQCLSA-N -1 3 378.519 3.566 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2C)cc1 ZINC000057390526 846065755 /nfs/dbraw/zinc/06/57/55/846065755.db2.gz FQYOOUFVNFKYGM-RDTXWAMCSA-N -1 3 388.489 3.789 20 0 GHADHM CCCCc1nc(NC(=O)Cc2coc3cc(F)ccc23)c(C(=O)OCC)[n-]1 ZINC001269124772 846189668 /nfs/dbraw/zinc/18/96/68/846189668.db2.gz XACCUXNOGPNQMA-UHFFFAOYSA-N -1 3 387.411 3.996 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1NC(=O)N(C)C ZINC000280019210 846273603 /nfs/dbraw/zinc/27/36/03/846273603.db2.gz URVPZVPQVHBZKW-UHFFFAOYSA-N -1 3 391.493 3.677 20 0 GHADHM CSCCO[N-]C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000280139114 846303772 /nfs/dbraw/zinc/30/37/72/846303772.db2.gz XDCGTCWDHMDWKR-UHFFFAOYSA-N -1 3 390.292 3.777 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000179643393 861681701 /nfs/dbraw/zinc/68/17/01/861681701.db2.gz VAAQQMGJVBXFPI-QGZVFWFLSA-N -1 3 378.812 3.752 20 0 GHADHM CC[C@H](CC(F)(F)F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679784 846482435 /nfs/dbraw/zinc/48/24/35/846482435.db2.gz NTDPIGQNHVEPRY-ZCFIWIBFSA-N -1 3 396.129 3.547 20 0 GHADHM Cc1nc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)c2ccccc2F)no1 ZINC000375673193 846498364 /nfs/dbraw/zinc/49/83/64/846498364.db2.gz OTOKCARZQFERIK-IBGZPJMESA-N -1 3 377.375 3.895 20 0 GHADHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655970 861688221 /nfs/dbraw/zinc/68/82/21/861688221.db2.gz HZNSDTJEVXRUFF-UHFFFAOYSA-N -1 3 398.278 3.589 20 0 GHADHM COc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1OC ZINC000923972540 846582674 /nfs/dbraw/zinc/58/26/74/846582674.db2.gz CBLDQDULATUTDS-UHFFFAOYSA-N -1 3 379.438 3.760 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419593538 846680047 /nfs/dbraw/zinc/68/00/47/846680047.db2.gz XXXFTWZVLUTGIR-GFCCVEGCSA-N -1 3 375.469 3.652 20 0 GHADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCc1ccccc1Cl ZINC000419609763 846696785 /nfs/dbraw/zinc/69/67/85/846696785.db2.gz XFHNTKMEPHGZTH-LLVKDONJSA-N -1 3 377.897 3.651 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000503052125 846769576 /nfs/dbraw/zinc/76/95/76/846769576.db2.gz JTIDBLPYGTXUMF-KRWDZBQOSA-N -1 3 387.553 3.650 20 0 GHADHM Cc1cc(S(C)(=O)=O)cc(NCc2cccc([O-])c2Br)c1C ZINC000419755221 846775373 /nfs/dbraw/zinc/77/53/73/846775373.db2.gz CPKOKSWVCRWNAJ-UHFFFAOYSA-N -1 3 384.295 3.787 20 0 GHADHM CN(C(=O)c1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1)c1ccccc1 ZINC000503125389 846819280 /nfs/dbraw/zinc/81/92/80/846819280.db2.gz HVTGKJYWMYCFNW-UHFFFAOYSA-N -1 3 389.390 3.626 20 0 GHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000501509337 846974837 /nfs/dbraw/zinc/97/48/37/846974837.db2.gz GYIHAEWJLLLXDI-UHFFFAOYSA-N -1 3 394.349 3.762 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000158148450 847013848 /nfs/dbraw/zinc/01/38/48/847013848.db2.gz RGMNRFDZODPZED-SKDRFNHKSA-N -1 3 380.318 3.845 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)N(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000501555933 847016946 /nfs/dbraw/zinc/01/69/46/847016946.db2.gz YHXGXQBPWXUJKT-OAHLLOKOSA-N -1 3 391.475 3.804 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000158260178 847156856 /nfs/dbraw/zinc/15/68/56/847156856.db2.gz CGVAOPLPKBGPES-SKDRFNHKSA-N -1 3 380.318 3.845 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000272799591 847176874 /nfs/dbraw/zinc/17/68/74/847176874.db2.gz AKNGNESFRFTSMS-UCLAIMLFSA-N -1 3 380.492 3.522 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(C)c1 ZINC000501790358 847185437 /nfs/dbraw/zinc/18/54/37/847185437.db2.gz DBUCYWCCTVESIH-UHFFFAOYSA-N -1 3 375.475 3.713 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1OCCCC ZINC000273172809 847265556 /nfs/dbraw/zinc/26/55/56/847265556.db2.gz DAUBKUYREOWDLH-UHFFFAOYSA-N -1 3 399.491 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000273303220 847300305 /nfs/dbraw/zinc/30/03/05/847300305.db2.gz UQGUGYKJRMXXLP-QFIPXVFZSA-N -1 3 399.491 3.707 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1[O-] ZINC000665470621 861775791 /nfs/dbraw/zinc/77/57/91/861775791.db2.gz ZECFIPCCRIQXMY-UHFFFAOYSA-N -1 3 377.444 3.730 20 0 GHADHM O=C(Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)NC1CCCC1 ZINC000273416511 847332484 /nfs/dbraw/zinc/33/24/84/847332484.db2.gz NQCFBGNNXLBHRR-UHFFFAOYSA-N -1 3 393.443 3.623 20 0 GHADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c2ccccc21 ZINC000502113814 847493607 /nfs/dbraw/zinc/49/36/07/847493607.db2.gz DEMJWFRAJZNUFS-VIFPVBQESA-N -1 3 381.333 3.676 20 0 GHADHM O=C(Nc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21)c1cccs1 ZINC000503486756 847743085 /nfs/dbraw/zinc/74/30/85/847743085.db2.gz GNXKZWRLPAYGQD-UHFFFAOYSA-N -1 3 381.392 3.663 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2cc(F)cc3n[n-]nc32)n(Cc2ccccc2)n1 ZINC000503508431 847756849 /nfs/dbraw/zinc/75/68/49/847756849.db2.gz KXKVZVZLDINDHZ-UHFFFAOYSA-N -1 3 392.438 3.892 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)c(CN(C)C)c1 ZINC000421228048 847883278 /nfs/dbraw/zinc/88/32/78/847883278.db2.gz PPSLMFOCWHCHHU-UHFFFAOYSA-N -1 3 388.411 3.598 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000684997247 848098256 /nfs/dbraw/zinc/09/82/56/848098256.db2.gz LMKCDLZKJSYWCA-YFVAEKQCSA-N -1 3 392.499 3.792 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000135588124 848178798 /nfs/dbraw/zinc/17/87/98/848178798.db2.gz RKLCZONJXKBSTQ-UHFFFAOYSA-N -1 3 385.411 3.531 20 0 GHADHM Fc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CCO2)c1 ZINC000737668590 861879926 /nfs/dbraw/zinc/87/99/26/861879926.db2.gz WBARXVUVHAWLOF-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CCO2)c1 ZINC000737668590 861879944 /nfs/dbraw/zinc/87/99/44/861879944.db2.gz WBARXVUVHAWLOF-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2C)ccc1N(C)C ZINC000731782607 861888615 /nfs/dbraw/zinc/88/86/15/861888615.db2.gz IKWXUAHCOLLSIF-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM COCC[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000548771744 848430619 /nfs/dbraw/zinc/43/06/19/848430619.db2.gz QCXXKMKPOHZXPY-MRXNPFEDSA-N -1 3 393.274 3.962 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000548772464 848433971 /nfs/dbraw/zinc/43/39/71/848433971.db2.gz KSHVVNRPJAOUHG-CQSZACIVSA-N -1 3 386.736 3.974 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)n1 ZINC000582809153 848435598 /nfs/dbraw/zinc/43/55/98/848435598.db2.gz IKIMDFCNPYZOMB-IUODEOHRSA-N -1 3 383.370 3.524 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(OC)c(OC)c2C)c(C(=O)OCC)[n-]1 ZINC000582868494 848596732 /nfs/dbraw/zinc/59/67/32/848596732.db2.gz DHBDGKZVZDXZPN-UHFFFAOYSA-N -1 3 389.452 3.507 20 0 GHADHM O=C(NCCCOc1ccc(Cl)cc1Cl)c1nnc2ccccc2c1[O-] ZINC000731872048 861924148 /nfs/dbraw/zinc/92/41/48/861924148.db2.gz XACXZWFQDAMXRI-UHFFFAOYSA-N -1 3 392.242 3.841 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1Cl ZINC000161452999 848700055 /nfs/dbraw/zinc/70/00/55/848700055.db2.gz WCQVOSGSXUWDOW-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1C ZINC000583027145 848907435 /nfs/dbraw/zinc/90/74/35/848907435.db2.gz DYHAHIGIFCKQCL-GTQRCTGISA-N -1 3 384.476 3.713 20 0 GHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(C)c(OC)cc3Cl)cc12 ZINC000583046026 848945622 /nfs/dbraw/zinc/94/56/22/848945622.db2.gz CNGXNVCSKBCRLW-UHFFFAOYSA-N -1 3 381.841 3.556 20 0 GHADHM CC1CCN(c2nnc(Sc3nc4ccccc4c(=O)[n-]3)n2C2CC2)CC1 ZINC000731922003 861961209 /nfs/dbraw/zinc/96/12/09/861961209.db2.gz XGACKESPMJEQPJ-UHFFFAOYSA-N -1 3 382.493 3.649 20 0 GHADHM O=S(=O)([N-][C@H](CO)CC1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000511229311 848956754 /nfs/dbraw/zinc/95/67/54/848956754.db2.gz IYHAMVISMHSWFY-LBPRGKRZSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)c(Cl)cc3F)cc2)n1 ZINC000154784691 849375181 /nfs/dbraw/zinc/37/51/81/849375181.db2.gz PWKVBGBHJGPQIS-UHFFFAOYSA-N -1 3 375.762 3.929 20 0 GHADHM CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029786267 862071503 /nfs/dbraw/zinc/07/15/03/862071503.db2.gz CYULCJIEZDPOQZ-UHFFFAOYSA-N -1 3 378.469 3.717 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccccc3-n3ccc(C4CC4)n3)no2)c(=O)[n-]1 ZINC000351134748 862077359 /nfs/dbraw/zinc/07/73/59/862077359.db2.gz QGDDHTLULFAYBJ-UHFFFAOYSA-N -1 3 388.431 3.503 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000664471381 850086411 /nfs/dbraw/zinc/08/64/11/850086411.db2.gz PYDCFNOAQWDTDD-OAHLLOKOSA-N -1 3 391.265 3.518 20 0 GHADHM O=C1CCc2cc(-c3nc4cc(Br)c(F)cc4c(=O)[n-]3)ccc2N1 ZINC000504487794 850096034 /nfs/dbraw/zinc/09/60/34/850096034.db2.gz IQLAYXUXLKJJPS-UHFFFAOYSA-N -1 3 388.196 3.789 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000664470558 850106650 /nfs/dbraw/zinc/10/66/50/850106650.db2.gz DASBEVXWYTZPQG-WMLDXEAASA-N -1 3 397.313 3.645 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3cccc4cccnc43)c2C)s1 ZINC000518793660 850137318 /nfs/dbraw/zinc/13/73/18/850137318.db2.gz VAWKTYQLCWKPRA-UHFFFAOYSA-N -1 3 393.476 3.570 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000518793177 850138102 /nfs/dbraw/zinc/13/81/02/850138102.db2.gz LAMGVEZKVADULT-LJQANCHMSA-N -1 3 390.480 3.887 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000510028933 850155823 /nfs/dbraw/zinc/15/58/23/850155823.db2.gz JYUVTMNXEUUXFL-WCQYABFASA-N -1 3 385.835 3.841 20 0 GHADHM CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000514708961 850197641 /nfs/dbraw/zinc/19/76/41/850197641.db2.gz IAXCWOCDCLVMIH-QUCCMNQESA-N -1 3 378.472 3.783 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1cc(F)ccc1Br ZINC000435213296 850217854 /nfs/dbraw/zinc/21/78/54/850217854.db2.gz MSBWPLCXDAXLPV-OCCSQVGLSA-N -1 3 388.233 3.562 20 0 GHADHM COC(=O)c1ccc(-c2nc(Cc3ccc(Br)cc3C)no2)[n-]1 ZINC000426449468 850223407 /nfs/dbraw/zinc/22/34/07/850223407.db2.gz UQOVBMSJXFAUKB-UHFFFAOYSA-N -1 3 376.210 3.513 20 0 GHADHM CCOc1ccc(Br)cc1-c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000426457739 850241251 /nfs/dbraw/zinc/24/12/51/850241251.db2.gz ZGVUOKVVJVVIIL-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM CCCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H](CC)C(=O)[O-] ZINC000908749701 850322276 /nfs/dbraw/zinc/32/22/76/850322276.db2.gz VXHIRDGRKHLKLJ-IAGOWNOFSA-N -1 3 395.569 3.806 20 0 GHADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000908753794 850331249 /nfs/dbraw/zinc/33/12/49/850331249.db2.gz XANDJRNECPKWOT-IRXDYDNUSA-N -1 3 393.553 3.608 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])N(C)C)cc1 ZINC000908754320 850331315 /nfs/dbraw/zinc/33/13/15/850331315.db2.gz RBPUIHYTIJKRIV-UTKZUKDTSA-N -1 3 397.519 3.537 20 0 GHADHM CCc1sc(NC(=O)c2ccc(C(=O)OC)[n-]2)nc1-c1ccc(OC)cc1 ZINC000555882989 862119642 /nfs/dbraw/zinc/11/96/42/862119642.db2.gz MOCCOXLCTAIZFT-UHFFFAOYSA-N -1 3 385.445 3.748 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccsc1 ZINC000908801538 850368888 /nfs/dbraw/zinc/36/88/88/850368888.db2.gz IEQSJLHPUUADOM-OXJNMPFZSA-N -1 3 395.569 3.854 20 0 GHADHM CC[C@](NC(=O)c1cccc(CN2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000908941729 850481647 /nfs/dbraw/zinc/48/16/47/850481647.db2.gz VLXCXPLQHLNYBR-HSZRJFAPSA-N -1 3 380.488 3.792 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCCN([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000514945947 850493588 /nfs/dbraw/zinc/49/35/88/850493588.db2.gz JNMCPGSPAXUDHI-BFUOFWGJSA-N -1 3 378.856 3.869 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1c(C)nn(C)c1C ZINC000435425116 850507332 /nfs/dbraw/zinc/50/73/32/850507332.db2.gz BYRMVYUUGLKJGN-CYBMUJFWSA-N -1 3 394.299 3.912 20 0 GHADHM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000504986250 850508449 /nfs/dbraw/zinc/50/84/49/850508449.db2.gz VARWOJWNXRBCPN-UHFFFAOYSA-N -1 3 379.503 3.592 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3Cl)no2)ccc1F ZINC000504995836 850514078 /nfs/dbraw/zinc/51/40/78/850514078.db2.gz HJAHIKHLMQYXAL-UHFFFAOYSA-N -1 3 395.843 3.883 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000514978508 850546346 /nfs/dbraw/zinc/54/63/46/850546346.db2.gz KFIYHAUQBIRILA-UHFFFAOYSA-N -1 3 376.384 3.979 20 0 GHADHM O=C([O-])c1cc2cc(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)ccc2s1 ZINC000909120047 850580263 /nfs/dbraw/zinc/58/02/63/850580263.db2.gz RYYVKONEBRUXDN-HNNXBMFYSA-N -1 3 395.484 3.845 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cc(F)cc2n[n-]nc21 ZINC000505096936 850603420 /nfs/dbraw/zinc/60/34/20/850603420.db2.gz WOTGFNYQOHFMQJ-UHFFFAOYSA-N -1 3 390.422 3.888 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435726229 850789982 /nfs/dbraw/zinc/78/99/82/850789982.db2.gz NGSIHIIZKSFURA-SWLSCSKDSA-N -1 3 390.226 3.555 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)N1CCCCC1 ZINC000909848039 850807241 /nfs/dbraw/zinc/80/72/41/850807241.db2.gz RQYFRWQKSULBQJ-FQEVSTJZSA-N -1 3 387.524 3.824 20 0 GHADHM O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000435759964 850854468 /nfs/dbraw/zinc/85/44/68/850854468.db2.gz AAVJTPVJZIMPRV-GOSISDBHSA-N -1 3 390.277 3.865 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCCc2ccccc21)c1ccc(Br)cn1 ZINC000515369477 850934744 /nfs/dbraw/zinc/93/47/44/850934744.db2.gz QLXAWBFPDXMNCT-OAHLLOKOSA-N -1 3 381.295 3.590 20 0 GHADHM CN(CCOc1ccccc1C(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000435948420 851035996 /nfs/dbraw/zinc/03/59/96/851035996.db2.gz IGEUARAKONGDPW-UHFFFAOYSA-N -1 3 378.472 3.977 20 0 GHADHM Cc1nc(NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C(=O)[O-] ZINC000910370660 851161345 /nfs/dbraw/zinc/16/13/45/851161345.db2.gz SCOOTRHQWISVSS-SCLBCKFNSA-N -1 3 377.847 3.986 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(Cc4ccc(O)cc4)CC3)c2c1 ZINC000910372446 851162180 /nfs/dbraw/zinc/16/21/80/851162180.db2.gz BFCGACWCCWVGNM-UHFFFAOYSA-N -1 3 391.471 3.578 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCCC[C@H]1C(F)F ZINC000505441879 851317980 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GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000732392939 862256616 /nfs/dbraw/zinc/25/66/16/862256616.db2.gz LAMJGMMEBRGUCT-AWEZNQCLSA-N -1 3 378.384 3.764 20 0 GHADHM CNC(=O)[C@@H]1CCCc2sc(/C=C/c3cc([O-])ccc3Br)nc21 ZINC000515869755 851583392 /nfs/dbraw/zinc/58/33/92/851583392.db2.gz KFNXPGVPQIRDFS-FZKGZDJFSA-N -1 3 393.306 3.948 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1ccc(Cl)s1 ZINC000049240013 851639287 /nfs/dbraw/zinc/63/92/87/851639287.db2.gz PHHPEINFFNDVHE-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)cs1 ZINC000111363432 851640988 /nfs/dbraw/zinc/64/09/88/851640988.db2.gz ARAYDJDINAUAMV-QMMMGPOBSA-N -1 3 393.303 3.647 20 0 GHADHM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000911252325 851648766 /nfs/dbraw/zinc/64/87/66/851648766.db2.gz KQZYRZSASOSLJO-CJXWSEAPSA-N -1 3 382.460 3.675 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000911278847 851660079 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GHADHM CCCCOc1c(Cl)cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000911851136 851933168 /nfs/dbraw/zinc/93/31/68/851933168.db2.gz FDKKKWQVGDOAIU-GFCCVEGCSA-N -1 3 393.871 3.586 20 0 GHADHM O=C(c1ccc2sccc2c1[O-])N1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001270093643 851950099 /nfs/dbraw/zinc/95/00/99/851950099.db2.gz BNPZZQDRXVQLLH-UHFFFAOYSA-N -1 3 384.423 3.707 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000604601593 862302456 /nfs/dbraw/zinc/30/24/56/862302456.db2.gz WMVNKZZIPGMLML-UHFFFAOYSA-N -1 3 398.879 3.570 20 0 GHADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436553418 852042026 /nfs/dbraw/zinc/04/20/26/852042026.db2.gz BYDYQXBRVDGQNF-AWEZNQCLSA-N -1 3 394.393 3.799 20 0 GHADHM O=C(Nc1nc2c(s1)COCC2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436561013 852064206 /nfs/dbraw/zinc/06/42/06/852064206.db2.gz AQSLFOBWCHJQRU-UHFFFAOYSA-N -1 3 380.469 3.959 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000436570750 852072645 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ZINC000436667734 852165287 /nfs/dbraw/zinc/16/52/87/852165287.db2.gz VDMDYTUJHZEGLG-CYBMUJFWSA-N -1 3 394.393 3.717 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c1 ZINC000436679639 852188125 /nfs/dbraw/zinc/18/81/25/852188125.db2.gz GTLJZBDZMAIEFW-CQSZACIVSA-N -1 3 384.476 3.845 20 0 GHADHM COc1cc(-c2nc(-c3cnc4ccccc4c3OC)no2)cc(OC)c1[O-] ZINC000436690216 852201801 /nfs/dbraw/zinc/20/18/01/852201801.db2.gz PAOYOWHIHZVOLL-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM CCCOc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436709143 852203705 /nfs/dbraw/zinc/20/37/05/852203705.db2.gz ZNULJQLIGXHYSR-UHFFFAOYSA-N -1 3 397.475 3.607 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436694182 852208196 /nfs/dbraw/zinc/20/81/96/852208196.db2.gz GXCMSQHJDFFZMZ-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436696078 852209355 /nfs/dbraw/zinc/20/93/55/852209355.db2.gz HQBAPEMYTJMXJK-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM CCNC(=O)C[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436726863 852229283 /nfs/dbraw/zinc/22/92/83/852229283.db2.gz ZSMSCYABFWFCLR-HXUWFJFHSA-N -1 3 394.515 3.698 20 0 GHADHM Cc1c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)oc2c1c(C)ccc2C ZINC000436710813 852231807 /nfs/dbraw/zinc/23/18/07/852231807.db2.gz ZMRNOMAAMZSWMR-UHFFFAOYSA-N -1 3 392.455 3.662 20 0 GHADHM CCc1nc2cc(CNC(=O)c3cc(OC)c([O-])c(OC)c3)ccc2n1C1CC1 ZINC000436723086 852247705 /nfs/dbraw/zinc/24/77/05/852247705.db2.gz PLDFMLDTXOSGRP-UHFFFAOYSA-N -1 3 395.459 3.586 20 0 GHADHM CN1CC[C@H](CNC(=O)c2ccc(F)cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436732500 852272227 /nfs/dbraw/zinc/27/22/27/852272227.db2.gz RGVASVSFDAZDSH-KZULUSFZSA-N -1 3 380.822 3.747 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436733246 852275056 /nfs/dbraw/zinc/27/50/56/852275056.db2.gz UWFGOCIPRFOUSJ-CQSZACIVSA-N -1 3 394.393 3.810 20 0 GHADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1[O-] ZINC000436749706 852291095 /nfs/dbraw/zinc/29/10/95/852291095.db2.gz KUYQDVIMMIVPMI-GFCCVEGCSA-N -1 3 377.824 3.722 20 0 GHADHM CCC(CC)(C(=O)NCCCc1c[n-][nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000912470357 852293543 /nfs/dbraw/zinc/29/35/43/852293543.db2.gz SDWDBUXFIQEVHA-GFCCVEGCSA-N -1 3 384.307 3.679 20 0 GHADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1ccc(Br)o1 ZINC000426718834 852303720 /nfs/dbraw/zinc/30/37/20/852303720.db2.gz CCSAMCIERFTELN-GFCCVEGCSA-N -1 3 376.609 3.620 20 0 GHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3cc(Br)ccc3[O-])ccn2)C1 ZINC000436799912 852331608 /nfs/dbraw/zinc/33/16/08/852331608.db2.gz RGXLURORTHPELD-LLVKDONJSA-N -1 3 376.254 3.648 20 0 GHADHM COc1ccc(Br)cc1[C@@H](NCc1cccc2cc[nH]c21)C(=O)[O-] ZINC000426743493 852344231 /nfs/dbraw/zinc/34/42/31/852344231.db2.gz AUHSEWSPYIJDKZ-QGZVFWFLSA-N -1 3 389.249 3.855 20 0 GHADHM C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2[O-])c1 ZINC000436794385 852353176 /nfs/dbraw/zinc/35/31/76/852353176.db2.gz VXTBUUYGRBRHCQ-CQSZACIVSA-N -1 3 385.439 3.597 20 0 GHADHM CSc1ccc([C@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)N(C)C)cc1 ZINC000436801950 852360537 /nfs/dbraw/zinc/36/05/37/852360537.db2.gz ADJOYWMIGCLXNG-INIZCTEOSA-N -1 3 382.888 3.939 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000426771137 852374747 /nfs/dbraw/zinc/37/47/47/852374747.db2.gz ZBOMLXCJSPXLTF-NRFANRHFSA-N -1 3 390.439 3.863 20 0 GHADHM CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000517766941 852381403 /nfs/dbraw/zinc/38/14/03/852381403.db2.gz NUNBORUDPXFJKT-SFHVURJKSA-N -1 3 389.249 3.512 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1 ZINC000436833981 852383367 /nfs/dbraw/zinc/38/33/67/852383367.db2.gz KUNDRTMSCOOXSB-LJQANCHMSA-N -1 3 394.471 3.523 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CCC3CC3)cs2)c1 ZINC000436821944 852390198 /nfs/dbraw/zinc/39/01/98/852390198.db2.gz NAMNSNWBBFKYCA-CYBMUJFWSA-N -1 3 387.505 3.647 20 0 GHADHM CCC1(CC)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000436823462 852392607 /nfs/dbraw/zinc/39/26/07/852392607.db2.gz AYUIYGBUAQNJCX-MUUNZHRXSA-N -1 3 399.556 3.941 20 0 GHADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436838431 852404114 /nfs/dbraw/zinc/40/41/14/852404114.db2.gz QWBNBDZQNWLDGA-CHWSQXEVSA-N -1 3 395.484 3.899 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000489506853 852416584 /nfs/dbraw/zinc/41/65/84/852416584.db2.gz BQSDSCRJQFDZSW-UHFFFAOYSA-N -1 3 395.532 3.531 20 0 GHADHM CCc1ccc([C@@H](NCc2cc(Br)c(O)c(OC)c2)C(=O)[O-])cc1 ZINC000426815776 852425878 /nfs/dbraw/zinc/42/58/78/852425878.db2.gz HDCWIWPWSUYAPK-MRXNPFEDSA-N -1 3 394.265 3.641 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(C)c(Br)c2)C(=O)[O-])cc1F ZINC000426821539 852433068 /nfs/dbraw/zinc/43/30/68/852433068.db2.gz UHWSTBJOSNPFRS-MRXNPFEDSA-N -1 3 382.229 3.821 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])cc1F ZINC000426837641 852446344 /nfs/dbraw/zinc/44/63/44/852446344.db2.gz XWZHNZTXVDMTPZ-INIZCTEOSA-N -1 3 387.329 3.691 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1F ZINC000507014178 852454607 /nfs/dbraw/zinc/45/46/07/852454607.db2.gz VFCMXOCLXJOGMC-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000436896808 852482809 /nfs/dbraw/zinc/48/28/09/852482809.db2.gz NZJPDOULWMLSDW-LPHOPBHVSA-N -1 3 393.405 3.758 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1csc(-c2ccoc2)n1 ZINC000436915082 852493211 /nfs/dbraw/zinc/49/32/11/852493211.db2.gz OMXGJYHKSDDLFI-UHFFFAOYSA-N -1 3 387.808 3.800 20 0 GHADHM COc1cccc(-c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)c1[O-] ZINC000436919384 852498743 /nfs/dbraw/zinc/49/87/43/852498743.db2.gz BZHLWCWEDHSIGI-UHFFFAOYSA-N -1 3 376.796 3.712 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c([O-])cccc1F ZINC000436950100 852512890 /nfs/dbraw/zinc/51/28/90/852512890.db2.gz NRJDGIHUVHODGC-AWEZNQCLSA-N -1 3 382.357 3.554 20 0 GHADHM CCn1c2ccc(Br)cc2nc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000507067397 852515587 /nfs/dbraw/zinc/51/55/87/852515587.db2.gz JMFHTLCBWBHLPW-UHFFFAOYSA-N -1 3 394.294 3.761 20 0 GHADHM CC(C)c1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436943984 852525520 /nfs/dbraw/zinc/52/55/20/852525520.db2.gz LBSIYSQNMKMCBN-UHFFFAOYSA-N -1 3 394.515 3.869 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c([O-])c1 ZINC000436973053 852556021 /nfs/dbraw/zinc/55/60/21/852556021.db2.gz RZEHCARCPRURSZ-UHFFFAOYSA-N -1 3 396.487 3.624 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000436981209 852569060 /nfs/dbraw/zinc/56/90/60/852569060.db2.gz PZODDFDYBSGQHT-UHFFFAOYSA-N -1 3 392.242 3.803 20 0 GHADHM O=c1[n-]c(SCc2cnc(Cl)s2)nc2c1cnn2-c1ccccc1 ZINC000150931264 852581345 /nfs/dbraw/zinc/58/13/45/852581345.db2.gz PAPYYCBZFNEJNH-UHFFFAOYSA-N -1 3 375.866 3.511 20 0 GHADHM C/C=C\c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436994219 852582961 /nfs/dbraw/zinc/58/29/61/852582961.db2.gz LGMLENYJHCKGTF-DJWKRKHSSA-N -1 3 379.460 3.852 20 0 GHADHM COc1cc(CNC(=O)c2cc([O-])ccc2Cl)ccc1OCc1cccnc1 ZINC000516479797 852623256 /nfs/dbraw/zinc/62/32/56/852623256.db2.gz XRWGANBTYDDFIN-UHFFFAOYSA-N -1 3 398.846 3.958 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489965597 852679289 /nfs/dbraw/zinc/67/92/89/852679289.db2.gz GDZRVJIXGDLDSE-NSHDSACASA-N -1 3 395.855 3.621 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000180876879 862384442 /nfs/dbraw/zinc/38/44/42/862384442.db2.gz FLMZEZCNWXTYLO-UHFFFAOYSA-N -1 3 377.379 3.750 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)CCCCC1 ZINC000427104672 852726276 /nfs/dbraw/zinc/72/62/76/852726276.db2.gz PTTLRDKWBIGUTG-UHFFFAOYSA-N -1 3 394.518 3.675 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN(C)Cc2ccccc2)c1Cl ZINC000507310146 852769420 /nfs/dbraw/zinc/76/94/20/852769420.db2.gz SLLYDZULYDPDPD-UHFFFAOYSA-N -1 3 387.332 3.712 20 0 GHADHM CCc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000505989442 852836065 /nfs/dbraw/zinc/83/60/65/852836065.db2.gz JAJQYMURDXFRIH-UHFFFAOYSA-N -1 3 399.447 3.836 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)c1ccccc1C(C)C ZINC000426173518 852917530 /nfs/dbraw/zinc/91/75/30/852917530.db2.gz HQHUEIAWPQKIFQ-UHFFFAOYSA-N -1 3 390.487 3.859 20 0 GHADHM CCc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000506006530 852924475 /nfs/dbraw/zinc/92/44/75/852924475.db2.gz DHEXMDCTYGWRMK-UHFFFAOYSA-N -1 3 399.447 3.836 20 0 GHADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000490323073 852925594 /nfs/dbraw/zinc/92/55/94/852925594.db2.gz QHWJVXTUOUFTSO-UHFFFAOYSA-N -1 3 398.200 3.848 20 0 GHADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000506008755 852935267 /nfs/dbraw/zinc/93/52/67/852935267.db2.gz PGDFDMVZBMRITO-UHFFFAOYSA-N -1 3 378.329 3.577 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000473859728 853028458 /nfs/dbraw/zinc/02/84/58/853028458.db2.gz VNIMLTPUBCSTBL-OAQYLSRUSA-N -1 3 386.455 3.938 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(C(F)(F)F)on1 ZINC000490474518 853043697 /nfs/dbraw/zinc/04/36/97/853043697.db2.gz BXIGPKAUCYGAON-UHFFFAOYSA-N -1 3 386.754 3.700 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000437372882 853053808 /nfs/dbraw/zinc/05/38/08/853053808.db2.gz MNJCPSKHCZNENL-UHFFFAOYSA-N -1 3 376.434 3.605 20 0 GHADHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000507565028 853057790 /nfs/dbraw/zinc/05/77/90/853057790.db2.gz IYXKLRBQLNDIOD-UHFFFAOYSA-N -1 3 391.342 3.770 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H]1OCCc2sccc21 ZINC000490522465 853071410 /nfs/dbraw/zinc/07/14/10/853071410.db2.gz YYBVKTIBRYCBMP-RFAUZJTJSA-N -1 3 375.874 3.521 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000490522276 853071787 /nfs/dbraw/zinc/07/17/87/853071787.db2.gz TVIQIXVCSQRUHQ-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000518212068 853076355 /nfs/dbraw/zinc/07/63/55/853076355.db2.gz BPXRXISKWKFLJF-HNNXBMFYSA-N -1 3 378.394 3.758 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000490557322 853102556 /nfs/dbraw/zinc/10/25/56/853102556.db2.gz PRIVZMBSJYQMMJ-UHFFFAOYSA-N -1 3 377.293 3.862 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN([C@@H](C)c3nccs3)CC2)c1C ZINC000516929873 853151973 /nfs/dbraw/zinc/15/19/73/853151973.db2.gz UHKUZJBCPQBUBN-HNNXBMFYSA-N -1 3 396.516 3.890 20 0 GHADHM CC(C)(C)CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000913265782 853200947 /nfs/dbraw/zinc/20/09/47/853200947.db2.gz IYONJJFDAZUEID-UHFFFAOYSA-N -1 3 382.309 3.641 20 0 GHADHM O=C(OCCOc1cccc(Br)c1)c1cc(-c2ccco2)[n-]n1 ZINC000913295990 853220050 /nfs/dbraw/zinc/22/00/50/853220050.db2.gz JHDDVVRUFWZKSM-UHFFFAOYSA-N -1 3 377.194 3.668 20 0 GHADHM O=C(OCCOc1cccc(Br)c1)c1cc(-c2ccco2)n[n-]1 ZINC000913295990 853220063 /nfs/dbraw/zinc/22/00/63/853220063.db2.gz JHDDVVRUFWZKSM-UHFFFAOYSA-N -1 3 377.194 3.668 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)s1 ZINC000913340661 853260358 /nfs/dbraw/zinc/26/03/58/853260358.db2.gz JQBGBNACHFIRDE-CYBMUJFWSA-N -1 3 389.477 3.825 20 0 GHADHM COc1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000490867721 853316726 /nfs/dbraw/zinc/31/67/26/853316726.db2.gz GFSMSIKLTGKRGV-CQSZACIVSA-N -1 3 383.366 3.875 20 0 GHADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c2cnn(Cc3cccs3)c2n1 ZINC000133208049 862452639 /nfs/dbraw/zinc/45/26/39/862452639.db2.gz SGKYNWVDFCZJHX-UHFFFAOYSA-N -1 3 396.447 3.624 20 0 GHADHM CCC(CC)(C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000440638768 853460606 /nfs/dbraw/zinc/46/06/06/853460606.db2.gz OSDJKJMWMYWUHR-UHFFFAOYSA-N -1 3 394.515 3.871 20 0 GHADHM CC(C)O[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000506112425 853463059 /nfs/dbraw/zinc/46/30/59/853463059.db2.gz LMUIZTHORPXAQU-KRWDZBQOSA-N -1 3 388.265 3.624 20 0 GHADHM O=C(NC1CCN(CC(F)F)CC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000586756883 853524482 /nfs/dbraw/zinc/52/44/82/853524482.db2.gz TUORPJYRCKHUPO-UHFFFAOYSA-N -1 3 388.458 3.637 20 0 GHADHM COc1cc([C@H](C)/N=C/c2cc(Br)ccc2[O-])ccc1OCCO ZINC000054893702 853592165 /nfs/dbraw/zinc/59/21/65/853592165.db2.gz SNMNNQMQFZQYGW-DQAKUKQTSA-N -1 3 394.265 3.715 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2cccc(C)c2)cc1OC ZINC000054984390 853624311 /nfs/dbraw/zinc/62/43/11/853624311.db2.gz RLGDKOWHMBKWNE-UHFFFAOYSA-N -1 3 379.507 3.574 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4ncsc4c3)CCCCCC2)no1 ZINC000329996374 862491699 /nfs/dbraw/zinc/49/16/99/862491699.db2.gz OTLQMCMEVSCDIG-UHFFFAOYSA-N -1 3 392.506 3.516 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1 ZINC000571155140 853771476 /nfs/dbraw/zinc/77/14/76/853771476.db2.gz OBONOZOBNUXPOL-VBKZILBWSA-N -1 3 388.489 3.647 20 0 GHADHM O=C(Nc1cccc(N2CCCCC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000055368238 853802453 /nfs/dbraw/zinc/80/24/53/853802453.db2.gz SSUPVXVULRDCNW-FQEVSTJZSA-N -1 3 393.487 3.626 20 0 GHADHM Cc1cc2occ(CC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2cc1C(C)C ZINC000481919051 862516640 /nfs/dbraw/zinc/51/66/40/862516640.db2.gz DAMCFACLRMWHLK-UHFFFAOYSA-N -1 3 380.370 3.860 20 0 GHADHM Cn1c2ccccc2nc1[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000571619410 853964443 /nfs/dbraw/zinc/96/44/43/853964443.db2.gz BDLJKABAGDWLFD-OAQYLSRUSA-N -1 3 385.471 3.826 20 0 GHADHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000055581443 854013468 /nfs/dbraw/zinc/01/34/68/854013468.db2.gz SVIIFIMWHUCIKS-UHFFFAOYSA-N -1 3 395.912 3.799 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1 ZINC000055652593 854048109 /nfs/dbraw/zinc/04/81/09/854048109.db2.gz JYDCVAYTGFVKCO-UHFFFAOYSA-N -1 3 388.489 3.638 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000171621472 862535116 /nfs/dbraw/zinc/53/51/16/862535116.db2.gz YEHNWEVZSKXVPD-AWEZNQCLSA-N -1 3 376.497 3.720 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](c2cc[nH]n2)C1 ZINC000588216331 854219628 /nfs/dbraw/zinc/21/96/28/854219628.db2.gz FMVQOWIMBUPKGR-IBGZPJMESA-N -1 3 375.472 3.920 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C ZINC000729490086 854296983 /nfs/dbraw/zinc/29/69/83/854296983.db2.gz NSZNRQHFKYIKPP-UHFFFAOYSA-N -1 3 397.324 3.529 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000473928636 854307609 /nfs/dbraw/zinc/30/76/09/854307609.db2.gz PYLNEOWFCRDQAB-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000473928636 854307618 /nfs/dbraw/zinc/30/76/18/854307618.db2.gz PYLNEOWFCRDQAB-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM CCC(C)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000112938021 854363410 /nfs/dbraw/zinc/36/34/10/854363410.db2.gz FEPQMXBEIOFNPU-UHFFFAOYSA-N -1 3 378.469 3.935 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC000473944648 854393539 /nfs/dbraw/zinc/39/35/39/854393539.db2.gz XVMWMGLWUFVYDT-UHFFFAOYSA-N -1 3 398.348 3.610 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC000473944648 854393542 /nfs/dbraw/zinc/39/35/42/854393542.db2.gz XVMWMGLWUFVYDT-UHFFFAOYSA-N -1 3 398.348 3.610 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)CCCC(C)C)cc1OC ZINC000588765683 854428816 /nfs/dbraw/zinc/42/88/16/854428816.db2.gz ROQHLJWKLPRHSX-AWEZNQCLSA-N -1 3 385.530 3.793 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)coc21 ZINC000572216100 854442680 /nfs/dbraw/zinc/44/26/80/854442680.db2.gz IEYCOJAEGCBWCS-CQSZACIVSA-N -1 3 390.237 3.753 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000625608742 862575268 /nfs/dbraw/zinc/57/52/68/862575268.db2.gz AAISVROHJWIAAG-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccccc4Cl)C3)nc2)n1 ZINC000068700944 854612140 /nfs/dbraw/zinc/61/21/40/854612140.db2.gz PPIDPILTODTGDT-SFHVURJKSA-N -1 3 396.878 3.626 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)C(C)(C)C)nc(=O)c2c1C ZINC000152300511 854657764 /nfs/dbraw/zinc/65/77/64/854657764.db2.gz YCMRTXCRXXGLPY-UHFFFAOYSA-N -1 3 399.516 3.880 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000589172911 854714862 /nfs/dbraw/zinc/71/48/62/854714862.db2.gz RYIFNLBVHOGHKE-UHFFFAOYSA-N -1 3 376.400 3.566 20 0 GHADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000624410078 854780136 /nfs/dbraw/zinc/78/01/36/854780136.db2.gz FTCXQOUFAGAQHE-GOSISDBHSA-N -1 3 396.487 3.583 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1C1CC1)c1cc(F)ccc1Br ZINC001212158295 854851371 /nfs/dbraw/zinc/85/13/71/854851371.db2.gz PCRAOXDJWWCXOR-AAEUAGOBSA-N -1 3 376.291 3.693 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC1(Cl)Cl)c1csnc1-c1ccccc1 ZINC001213208583 854990107 /nfs/dbraw/zinc/99/01/07/854990107.db2.gz DKFPRIDHECCCCH-LLVKDONJSA-N -1 3 377.318 3.672 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000589688218 855106927 /nfs/dbraw/zinc/10/69/27/855106927.db2.gz FCQVRADBBXVHFF-UHFFFAOYSA-N -1 3 392.459 3.616 20 0 GHADHM CO[C@@H]1CC[C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000665056117 855169119 /nfs/dbraw/zinc/16/91/19/855169119.db2.gz FMVRLYMLJWYKMU-CRAIPNDOSA-N -1 3 388.489 3.549 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c(C)c1C ZINC000604971551 862648579 /nfs/dbraw/zinc/64/85/79/862648579.db2.gz ZNASRAWOOWPMJB-GOSISDBHSA-N -1 3 391.489 3.671 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589887858 855176827 /nfs/dbraw/zinc/17/68/27/855176827.db2.gz NJAKUYLXDJYOQC-JTQLQIEISA-N -1 3 392.702 3.995 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)nn1 ZINC000189760274 855187761 /nfs/dbraw/zinc/18/77/61/855187761.db2.gz GAHBPXSASMHZNS-UHFFFAOYSA-N -1 3 390.900 3.672 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4cccc(Cl)c4)s3)nn2)cc1 ZINC000589916361 855200711 /nfs/dbraw/zinc/20/07/11/855200711.db2.gz PUUVOKCYPFEESN-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc3c2OC(C)(C)C3)c(C(=O)OCC)[n-]1 ZINC001128074168 855230339 /nfs/dbraw/zinc/23/03/39/855230339.db2.gz PMHFMDZFCFWPJV-UHFFFAOYSA-N -1 3 385.464 3.895 20 0 GHADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000055548770 855341683 /nfs/dbraw/zinc/34/16/83/855341683.db2.gz LEZJXYWTNJTTGR-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c(Cl)n1 ZINC000780397861 855397661 /nfs/dbraw/zinc/39/76/61/855397661.db2.gz SBODCIPRAJLBKV-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c(=O)[n-]1 ZINC000280816315 855416727 /nfs/dbraw/zinc/41/67/27/855416727.db2.gz RRSQEZXPEUBCMW-KOMQPUFPSA-N -1 3 393.409 3.813 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C3CC3)C3CCC(C)CC3)c(=O)c2c(OC)c1 ZINC000624736342 855461357 /nfs/dbraw/zinc/46/13/57/855461357.db2.gz ZKLOHHPXDYFHEA-UHFFFAOYSA-N -1 3 384.476 3.729 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](COc1ccccc1F)c1ccccc1 ZINC000056087955 855469507 /nfs/dbraw/zinc/46/95/07/855469507.db2.gz QIHIPWOPAGRISK-QGZVFWFLSA-N -1 3 390.436 3.529 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCOCc3ccccc3)[n-]c(=O)c12 ZINC000542710318 855519100 /nfs/dbraw/zinc/51/91/00/855519100.db2.gz IMVMNTXQCQITBX-UHFFFAOYSA-N -1 3 399.472 3.524 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000605026032 862717108 /nfs/dbraw/zinc/71/71/08/862717108.db2.gz VKMFNHGLTUDPMS-LJQANCHMSA-N -1 3 392.459 3.566 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C4CCC4)C3)nc(=O)c2c1C ZINC000591061733 855762032 /nfs/dbraw/zinc/76/20/32/855762032.db2.gz GKCNERUVTPRQNF-GXTWGEPZSA-N -1 3 389.521 3.653 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2Cl)C1)c1cnccc1C(F)(F)F ZINC000573110107 855848162 /nfs/dbraw/zinc/84/81/62/855848162.db2.gz UCUCZOOPGMKIDW-XYPYZODXSA-N -1 3 390.814 3.978 20 0 GHADHM CC(C)(C)OC(=O)c1cnc(NCc2ccc([O-])c(Br)c2)cn1 ZINC000573116901 855850733 /nfs/dbraw/zinc/85/07/33/855850733.db2.gz FSASJDSIPWMWHL-UHFFFAOYSA-N -1 3 380.242 3.512 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H](C2CC2)C1 ZINC000542807246 855938510 /nfs/dbraw/zinc/93/85/10/855938510.db2.gz DYYZLZFFVUXZAP-TZIWHRDSSA-N -1 3 378.472 3.512 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)c(Cl)n3C)c2)n1 ZINC000049301648 855946814 /nfs/dbraw/zinc/94/68/14/855946814.db2.gz LPKXAUHMCCWXKD-UHFFFAOYSA-N -1 3 391.258 3.897 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cc(F)cc(Cl)c2)sc1Cl ZINC000785404575 855978587 /nfs/dbraw/zinc/97/85/87/855978587.db2.gz ZPYDNKDHDVCUIK-NSHDSACASA-N -1 3 384.281 3.514 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc3[nH]ccc32)cc1OC ZINC000591400021 855981770 /nfs/dbraw/zinc/98/17/70/855981770.db2.gz YBJJKWAHMZZWST-UHFFFAOYSA-N -1 3 388.449 3.582 20 0 GHADHM O=C(CCCc1ccc2c(c1)CC(=O)N2)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000591450379 855994578 /nfs/dbraw/zinc/99/45/78/855994578.db2.gz TWYKNEVHVUBUDN-UHFFFAOYSA-N -1 3 394.862 3.608 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2c(C)nn(-c3ccccc3)c2C)[nH][n-]1 ZINC000591449924 855994612 /nfs/dbraw/zinc/99/46/12/855994612.db2.gz ZUUKVJRFFTZJEB-UHFFFAOYSA-N -1 3 387.443 3.562 20 0 GHADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(=O)c2ccccc2[n-]1 ZINC000057693174 855995160 /nfs/dbraw/zinc/99/51/60/855995160.db2.gz GWQRFCZYKMIYGN-MRXNPFEDSA-N -1 3 383.245 3.708 20 0 GHADHM COCc1nc2sc(C(=O)[N-]c3cnccc3SC)c(C)c2c(OC)n1 ZINC000674255960 856039360 /nfs/dbraw/zinc/03/93/60/856039360.db2.gz GYBHLYIXZNOLPJ-UHFFFAOYSA-N -1 3 390.490 3.524 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@H](F)C1 ZINC000573326241 856080520 /nfs/dbraw/zinc/08/05/20/856080520.db2.gz BCUJFFNATNIFKW-NSHGMRRFSA-N -1 3 384.451 3.650 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1 ZINC000441731723 856099084 /nfs/dbraw/zinc/09/90/84/856099084.db2.gz RGVKXPIERMIVAM-UHFFFAOYSA-N -1 3 385.445 3.777 20 0 GHADHM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(OCC(F)(F)F)cc1 ZINC000536458350 856125134 /nfs/dbraw/zinc/12/51/34/856125134.db2.gz GRVIEERKPNGNLM-UHFFFAOYSA-N -1 3 382.363 3.977 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@@H](c1ccccc1)C1CC1 ZINC000482165304 862765369 /nfs/dbraw/zinc/76/53/69/862765369.db2.gz CKXPYYRWHNUNKE-KRWDZBQOSA-N -1 3 385.265 3.792 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)c1F ZINC000485169354 856182816 /nfs/dbraw/zinc/18/28/16/856182816.db2.gz WSJRHCGONNHMLR-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000520737320 856274161 /nfs/dbraw/zinc/27/41/61/856274161.db2.gz FKHZSKNTLVMYLH-GOSISDBHSA-N -1 3 381.407 3.762 20 0 GHADHM C[C@@H](Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1)c1ccccc1 ZINC000104147875 856314624 /nfs/dbraw/zinc/31/46/24/856314624.db2.gz FTQHZCFOQSKRMH-CQSZACIVSA-N -1 3 385.423 3.996 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)NN=c3nc(C)cc(C)[n-]3)cn2)c1 ZINC000045988838 856320765 /nfs/dbraw/zinc/32/07/65/856320765.db2.gz UQRQPKTUGDEVSC-UHFFFAOYSA-N -1 3 392.463 3.724 20 0 GHADHM O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000506081902 856429098 /nfs/dbraw/zinc/42/90/98/856429098.db2.gz XSXPZMPNXABRTC-NRFANRHFSA-N -1 3 384.435 3.878 20 0 GHADHM Fc1ccc(-c2noc(=NC3CC(N4CCC(C(F)(F)F)CC4)C3)[n-]2)cc1 ZINC000624171304 862796079 /nfs/dbraw/zinc/79/60/79/862796079.db2.gz TXWMTEHEWLFPAI-UHFFFAOYSA-N -1 3 384.377 3.515 20 0 GHADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)ccc21 ZINC000485395217 856457159 /nfs/dbraw/zinc/45/71/59/856457159.db2.gz MQYZVVOJPURTCS-UHFFFAOYSA-N -1 3 376.453 3.542 20 0 GHADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000138275613 856469006 /nfs/dbraw/zinc/46/90/06/856469006.db2.gz IKMUXYBSMOFAPC-ZIAGYGMSSA-N -1 3 376.453 3.640 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000195564097 856470719 /nfs/dbraw/zinc/47/07/19/856470719.db2.gz PQHAAKSAFAOYFG-GASCZTMLSA-N -1 3 382.460 3.771 20 0 GHADHM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccccc3OCc3cccnc3)C2)s1 ZINC000905749362 856503306 /nfs/dbraw/zinc/50/33/06/856503306.db2.gz LNBYGTANDBJYLR-QGZVFWFLSA-N -1 3 395.484 3.805 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2)c1 ZINC000172656874 856523469 /nfs/dbraw/zinc/52/34/69/856523469.db2.gz JCVIPSUYNUUKHU-UHFFFAOYSA-N -1 3 394.402 3.887 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@H]2C[C@H]21 ZINC000672134613 856554897 /nfs/dbraw/zinc/55/48/97/856554897.db2.gz IQHWXBRXEBGSMZ-IFXJQAMLSA-N -1 3 388.464 3.559 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000605164296 862816809 /nfs/dbraw/zinc/81/68/09/862816809.db2.gz VVZABTUAMVWYGX-LBPRGKRZSA-N -1 3 377.384 3.970 20 0 GHADHM CCC(C)(C)N1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000656191069 856650514 /nfs/dbraw/zinc/65/05/14/856650514.db2.gz BNBGZXXSGUZIDD-HNNXBMFYSA-N -1 3 387.293 3.520 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Cl)c1 ZINC000508069916 856857096 /nfs/dbraw/zinc/85/70/96/856857096.db2.gz STZYDVYHYTURFK-UHFFFAOYSA-N -1 3 396.877 3.846 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(F)c1 ZINC000508097024 856909304 /nfs/dbraw/zinc/90/93/04/856909304.db2.gz SCCRVYXMQXAFAB-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1cc([C@@H]2CCCN2C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)on1 ZINC000906199073 856925375 /nfs/dbraw/zinc/92/53/75/856925375.db2.gz FPCPVGVTLXQWSS-NSHDSACASA-N -1 3 378.454 3.764 20 0 GHADHM C[C@H](c1cccc(F)c1)N1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000569124754 857003274 /nfs/dbraw/zinc/00/32/74/857003274.db2.gz XPRCMEFZLGSREP-OAHLLOKOSA-N -1 3 379.435 3.955 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccccn1 ZINC000181399658 862862554 /nfs/dbraw/zinc/86/25/54/862862554.db2.gz CQMCACARFICRQQ-FQEVSTJZSA-N -1 3 386.448 3.606 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@H]1COc2c1cccc2Cl ZINC000675131163 857034972 /nfs/dbraw/zinc/03/49/72/857034972.db2.gz RSWQXSGDJKTBDO-KRWDZBQOSA-N -1 3 390.848 3.548 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000057157074 857156259 /nfs/dbraw/zinc/15/62/59/857156259.db2.gz GMRGXFANZCQJSN-UHFFFAOYSA-N -1 3 390.505 3.723 20 0 GHADHM Cc1cccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)c1F ZINC000485860103 857162155 /nfs/dbraw/zinc/16/21/55/857162155.db2.gz RSBFBFIOIAYVPQ-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM CC1CCC(N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000112627181 857166317 /nfs/dbraw/zinc/16/63/17/857166317.db2.gz NSVYEERUKZYBJW-UHFFFAOYSA-N -1 3 377.282 3.941 20 0 GHADHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(Cl)n1 ZINC000766117093 857205750 /nfs/dbraw/zinc/20/57/50/857205750.db2.gz OXPUOFDYAAGKNL-UHFFFAOYSA-N -1 3 386.633 3.533 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672374089 857213186 /nfs/dbraw/zinc/21/31/86/857213186.db2.gz SZRWKIVSHHOPCJ-SNVBAGLBSA-N -1 3 381.347 3.617 20 0 GHADHM COc1ccc([C@@H]2NC(=O)c3c(Cl)cccc3N2)c(Br)c1[O-] ZINC000761009877 857286587 /nfs/dbraw/zinc/28/65/87/857286587.db2.gz JDGHXFBDQYOWIG-AWEZNQCLSA-N -1 3 383.629 3.671 20 0 GHADHM O=C(OCc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332349 857303227 /nfs/dbraw/zinc/30/32/27/857303227.db2.gz NITDVAQEPPRSGH-MRXNPFEDSA-N -1 3 393.361 3.759 20 0 GHADHM COc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c(Br)c1[O-] ZINC000761012596 857317256 /nfs/dbraw/zinc/31/72/56/857317256.db2.gz SOBVAIOBRYCLCX-AWEZNQCLSA-N -1 3 383.629 3.671 20 0 GHADHM COc1cc[n-]c(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)n1 ZINC000046363375 857492416 /nfs/dbraw/zinc/49/24/16/857492416.db2.gz VBSSUYXBNSEQCC-UHFFFAOYSA-N -1 3 389.390 3.596 20 0 GHADHM CC(C)c1ccc(Cn2nccc2NC(=O)NN=c2ccc(Cl)n[n-]2)cc1 ZINC000157814111 857498023 /nfs/dbraw/zinc/49/80/23/857498023.db2.gz MINKCIDBNSRFOZ-UHFFFAOYSA-N -1 3 385.859 3.647 20 0 GHADHM Cc1ccc(-c2nn(C)cc2CN2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000648000590 857514957 /nfs/dbraw/zinc/51/49/57/857514957.db2.gz SSJWUSHROBJSIU-UHFFFAOYSA-N -1 3 379.460 3.789 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cnc(Cl)c(Br)c1 ZINC001127992598 857671893 /nfs/dbraw/zinc/67/18/93/857671893.db2.gz TVOPQLSBSSCEQV-UHFFFAOYSA-N -1 3 382.548 3.648 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000157850938 857685658 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CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(CO)c2)cc1 ZINC000065832712 857860887 /nfs/dbraw/zinc/86/08/87/857860887.db2.gz ZQNJMVSIIIOQKX-UHFFFAOYSA-N -1 3 393.505 3.947 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCn4c5ccccc5nc43)cc2)cc(=O)[n-]1 ZINC000521374247 857925034 /nfs/dbraw/zinc/92/50/34/857925034.db2.gz XEWXPEYBKPVICJ-UHFFFAOYSA-N -1 3 386.415 3.559 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000676532718 857929902 /nfs/dbraw/zinc/92/99/02/857929902.db2.gz PEIGBXUBYCROFN-UHFFFAOYSA-N -1 3 394.899 3.618 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000486650158 857944537 /nfs/dbraw/zinc/94/45/37/857944537.db2.gz JXGMNRVEDQCTCN-MRXNPFEDSA-N -1 3 389.293 3.929 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C(F)(F)c3ccccc3)nc(=O)c2c1C ZINC000046558740 858074706 /nfs/dbraw/zinc/07/47/06/858074706.db2.gz ZWFIZIQKUVBJLS-JTQLQIEISA-N -1 3 378.400 3.998 20 0 GHADHM Cc1csc(NCC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC001212495111 858093267 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390.461 3.751 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000521573246 858134956 /nfs/dbraw/zinc/13/49/56/858134956.db2.gz CKSNVUHCMGXHQF-OAHLLOKOSA-N -1 3 378.469 3.935 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000442899825 858226406 /nfs/dbraw/zinc/22/64/06/858226406.db2.gz NYYOVSMEZMBVSX-UHFFFAOYSA-N -1 3 384.301 3.598 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000181759769 863002550 /nfs/dbraw/zinc/00/25/50/863002550.db2.gz OMPHEGUQKAJDTG-UHFFFAOYSA-N -1 3 375.472 3.592 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000594815506 858285456 /nfs/dbraw/zinc/28/54/56/858285456.db2.gz DXPIVODFUPPTMI-UHFFFAOYSA-N -1 3 387.420 3.536 20 0 GHADHM Cc1ccc(-n2nc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c3c2CCCC3)cc1 ZINC000594842641 858294917 /nfs/dbraw/zinc/29/49/17/858294917.db2.gz PRCSYBXRGSGEJN-UHFFFAOYSA-N -1 3 388.431 3.690 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)c(=O)[n-]1 ZINC000482375768 863007283 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Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c(=O)[n-]1 ZINC000115232686 858454812 /nfs/dbraw/zinc/45/48/12/858454812.db2.gz XTISQQAEJNUYSV-UHFFFAOYSA-N -1 3 392.459 3.762 20 0 GHADHM CCc1cc2c(CNc3ccc(OC)c(OCCOC)c3)cc(=O)oc2cc1[O-] ZINC000046834253 858511855 /nfs/dbraw/zinc/51/18/55/858511855.db2.gz MCJQNHVQKXBMPF-UHFFFAOYSA-N -1 3 399.443 3.707 20 0 GHADHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443310765 858552454 /nfs/dbraw/zinc/55/24/54/858552454.db2.gz PUPKQXOADYEEMU-FZMZJTMJSA-N -1 3 388.942 3.539 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000046898349 858616426 /nfs/dbraw/zinc/61/64/26/858616426.db2.gz SDBQMXCWCAPLQR-KRWDZBQOSA-N -1 3 384.436 3.716 20 0 GHADHM COc1ccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)c(OC)c1 ZINC000583505086 858620447 /nfs/dbraw/zinc/62/04/47/858620447.db2.gz RGBJZHXBXSXTRZ-UHFFFAOYSA-N -1 3 378.494 3.760 20 0 GHADHM CSc1nc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)n[n-]1 ZINC000522123987 858647757 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CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc(SC)ccc2Cl)o1 ZINC000060060995 858839121 /nfs/dbraw/zinc/83/91/21/858839121.db2.gz LCGRBGVBXKMHDV-UHFFFAOYSA-N -1 3 395.912 3.572 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(OCc3ccccc3F)cc2)[n-]1 ZINC000895236375 858840161 /nfs/dbraw/zinc/84/01/61/858840161.db2.gz PYWOIDXAOVSACK-CQSZACIVSA-N -1 3 398.438 3.550 20 0 GHADHM CCCOCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761166784 858841711 /nfs/dbraw/zinc/84/17/11/858841711.db2.gz LSEUXRXEVOQCLY-UHFFFAOYSA-N -1 3 395.452 3.518 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(C4CC4)CCC3)cs2)c1 ZINC000184072978 858869989 /nfs/dbraw/zinc/86/99/89/858869989.db2.gz LNQFUGSIEIQDQD-UHFFFAOYSA-N -1 3 399.516 3.648 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C(=O)OC(C)(C)C)C3CCC3)nc2)n1 ZINC000596574449 858943170 /nfs/dbraw/zinc/94/31/70/858943170.db2.gz HVZNFROCXWZHPU-QGZVFWFLSA-N -1 3 398.507 3.977 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470614659 858954701 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GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)s1 ZINC000466735833 859394558 /nfs/dbraw/zinc/39/45/58/859394558.db2.gz NCFZBNKKRJCGIL-UHFFFAOYSA-N -1 3 385.308 3.779 20 0 GHADHM Cn1nnc2c1nccc2C(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000509423660 859398209 /nfs/dbraw/zinc/39/82/09/859398209.db2.gz GJPITBDVFSNVKY-UHFFFAOYSA-N -1 3 383.811 3.626 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738429081 859402013 /nfs/dbraw/zinc/40/20/13/859402013.db2.gz SSPQRADMEONUSM-IIBYNOLFSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738429081 859402014 /nfs/dbraw/zinc/40/20/14/859402014.db2.gz SSPQRADMEONUSM-IIBYNOLFSA-N -1 3 386.459 3.995 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)cc1OC ZINC000483479716 859402456 /nfs/dbraw/zinc/40/24/56/859402456.db2.gz WAWXLNBWBWMRDL-UKRRQHHQSA-N -1 3 397.541 3.793 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483544153 859440487 /nfs/dbraw/zinc/44/04/87/859440487.db2.gz PWEMZPPIRUCVDA-AWEZNQCLSA-N -1 3 381.402 3.959 20 0 GHADHM CSC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000601691522 859442435 /nfs/dbraw/zinc/44/24/35/859442435.db2.gz LJUFYHCCYUPMJN-FQEVSTJZSA-N -1 3 398.528 3.607 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3sccc3OC)nc(=O)c2c1C ZINC000764436493 859449251 /nfs/dbraw/zinc/44/92/51/859449251.db2.gz XHJRCQPXGZNGSP-SOFGYWHQSA-N -1 3 396.877 3.887 20 0 GHADHM CC(=O)Nc1ccc(NC(=S)NCc2ccc([O-])c(Br)c2)cc1 ZINC000764523117 859482629 /nfs/dbraw/zinc/48/26/29/859482629.db2.gz GCVHNYZQQPCFIC-UHFFFAOYSA-N -1 3 394.294 3.600 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1ccc(Br)c(F)c1 ZINC000499744971 859496262 /nfs/dbraw/zinc/49/62/62/859496262.db2.gz XEGJFZVCRNCUIO-SECBINFHSA-N -1 3 386.233 3.692 20 0 GHADHM CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000804236028 859526125 /nfs/dbraw/zinc/52/61/25/859526125.db2.gz WFSDRRQGNLJPKB-LJQANCHMSA-N -1 3 396.487 3.724 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000483726492 859582356 /nfs/dbraw/zinc/58/23/56/859582356.db2.gz BFWAOQOPCSASME-OAHLLOKOSA-N -1 3 386.373 3.793 20 0 GHADHM O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(Br)cc1[O-] ZINC000125990198 859631048 /nfs/dbraw/zinc/63/10/48/859631048.db2.gz KMMPPVKREWTWIN-UHFFFAOYSA-N -1 3 390.262 3.854 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC000611198597 859647253 /nfs/dbraw/zinc/64/72/53/859647253.db2.gz NHIRGMSIGHUQEZ-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1nc(C)cs1 ZINC000543432699 859703701 /nfs/dbraw/zinc/70/37/01/859703701.db2.gz OWUVAYOYPRZTGR-UHFFFAOYSA-N -1 3 397.378 3.858 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(CN4CCCCC4=O)c3)c([O-])c2O1 ZINC000114538604 859704818 /nfs/dbraw/zinc/70/48/18/859704818.db2.gz OIXFSOYGLRFZBF-UHFFFAOYSA-N -1 3 394.471 3.871 20 0 GHADHM CC(C)(C)OC(=O)CC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000597766425 859802692 /nfs/dbraw/zinc/80/26/92/859802692.db2.gz XPHSKNJHHIQDJS-UHFFFAOYSA-N -1 3 384.476 3.693 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484265811 859916435 /nfs/dbraw/zinc/91/64/35/859916435.db2.gz YCSSORAFJJNJDQ-OAHLLOKOSA-N -1 3 398.409 3.662 20 0 GHADHM O=C([O-])[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc2ccccc2c1 ZINC000909528288 859922131 /nfs/dbraw/zinc/92/21/31/859922131.db2.gz RNSMRDMSCIZWAA-JOCHJYFZSA-N -1 3 388.467 3.991 20 0 GHADHM Cc1ccccc1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001127872389 859998959 /nfs/dbraw/zinc/99/89/59/859998959.db2.gz VNASQEVTVSKAPR-UHFFFAOYSA-N -1 3 379.453 3.568 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3cc(Br)ccc3F)no1)OCO2 ZINC000436536943 860022023 /nfs/dbraw/zinc/02/20/23/860022023.db2.gz WMWRWJVAPFCVDH-UHFFFAOYSA-N -1 3 379.141 3.740 20 0 GHADHM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436542150 860034656 /nfs/dbraw/zinc/03/46/56/860034656.db2.gz DUUNKNWCMLKRJP-UHFFFAOYSA-N -1 3 396.443 3.570 20 0 GHADHM COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CCC(=O)N2C)cc1 ZINC000115710461 860086257 /nfs/dbraw/zinc/08/62/57/860086257.db2.gz IRPWTFZKWZMQEY-BEFAXECRSA-N -1 3 388.851 3.602 20 0 GHADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@H]1CCO[C@](C)(C(=O)[O-])C1 ZINC000904070772 860095318 /nfs/dbraw/zinc/09/53/18/860095318.db2.gz ZNXAPECFPUPOCN-UGSOOPFHSA-N -1 3 398.290 3.599 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1Oc1ccccc1 ZINC000525927619 860135677 /nfs/dbraw/zinc/13/56/77/860135677.db2.gz HXYWETLCONPVLH-CEMLEFRQSA-N -1 3 377.440 3.900 20 0 GHADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527456869 860180210 /nfs/dbraw/zinc/18/02/10/860180210.db2.gz YDOWWFDGWLGENY-UHFFFAOYSA-N -1 3 398.484 3.876 20 0 GHADHM C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527475146 860181306 /nfs/dbraw/zinc/18/13/06/860181306.db2.gz FVGNSEONIJAUPR-OSPHWJPCSA-N -1 3 391.467 3.728 20 0 GHADHM COc1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c(OC)c1OC ZINC000727721836 860202280 /nfs/dbraw/zinc/20/22/80/860202280.db2.gz WATSXWUOEKJAFT-KHPPLWFESA-N -1 3 383.853 3.778 20 0 GHADHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)n1 ZINC000471783941 860219615 /nfs/dbraw/zinc/21/96/15/860219615.db2.gz YSIYROCNNFOANV-KRWDZBQOSA-N -1 3 389.455 3.740 20 0 GHADHM FC1(F)CCC[C@H](N=c2cc(N[C@H]3CCCC(F)(F)C3)n3[n-]cnc3n2)C1 ZINC000530529109 860227797 /nfs/dbraw/zinc/22/77/97/860227797.db2.gz KSHDJGRKOWSKTJ-RYUDHWBXSA-N -1 3 386.397 3.526 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@@H](C[C@H]3CCOC3)c3ccccc3)o2)CC1 ZINC000904226152 860250421 /nfs/dbraw/zinc/25/04/21/860250421.db2.gz RPRQVUWHGQCYLX-UTKZUKDTSA-N -1 3 398.503 3.838 20 0 GHADHM Cc1nc2cc(Cl)c(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2s1 ZINC000484698487 860262319 /nfs/dbraw/zinc/26/23/19/860262319.db2.gz GTXPVGZPJKKNDD-UHFFFAOYSA-N -1 3 376.869 3.942 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[N-]C(=O)c1cccs1 ZINC000727927023 860322624 /nfs/dbraw/zinc/32/26/24/860322624.db2.gz KYGQMZBEMGQOQU-QWRGUYRKSA-N -1 3 398.267 3.658 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000499272576 860418375 /nfs/dbraw/zinc/41/83/75/860418375.db2.gz KQBNBWYXWVNAPX-UHFFFAOYSA-N -1 3 386.296 3.805 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Br)cc3)c[n-]c12 ZINC000155247672 860454412 /nfs/dbraw/zinc/45/44/12/860454412.db2.gz XIMSLCPTDAOLCZ-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(NC(=O)C(C)C)c3)c[n-]c12 ZINC000155409760 860503058 /nfs/dbraw/zinc/50/30/58/860503058.db2.gz PJFANMUWSPBBTO-UHFFFAOYSA-N -1 3 381.407 3.822 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643046 860549294 /nfs/dbraw/zinc/54/92/94/860549294.db2.gz VGJJENWNVWSAMM-KZNAEPCWSA-N -1 3 378.900 3.506 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCCC1 ZINC000598795342 860573855 /nfs/dbraw/zinc/57/38/55/860573855.db2.gz IXAXNJIGPNUAEZ-FQEVSTJZSA-N -1 3 379.472 3.872 20 0 GHADHM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000909533411 860647896 /nfs/dbraw/zinc/64/78/96/860647896.db2.gz BNTTYKCHAGEWOU-QFIPXVFZSA-N -1 3 394.515 3.878 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1sc2cccc(F)c2c1C ZINC000474771221 860747966 /nfs/dbraw/zinc/74/79/66/860747966.db2.gz BPURGMMMTRDWSY-UHFFFAOYSA-N -1 3 390.392 3.502 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCn3cccc3)cc2)cc1 ZINC000673629331 860773556 /nfs/dbraw/zinc/77/35/56/860773556.db2.gz FJGSVTRZIAMYIY-UHFFFAOYSA-N -1 3 383.473 3.626 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000158872967 860811240 /nfs/dbraw/zinc/81/12/40/860811240.db2.gz ZLMBOBBVPSOZRX-UHFFFAOYSA-N -1 3 378.831 3.938 20 0 GHADHM COc1cccc(C2(NC(=O)c3cc([O-])ccc3Cl)CCOCC2)c1F ZINC000508443388 860824695 /nfs/dbraw/zinc/82/46/95/860824695.db2.gz QZIOMQXIDKGVPK-UHFFFAOYSA-N -1 3 379.815 3.629 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000640293766 881586227 /nfs/dbraw/zinc/58/62/27/881586227.db2.gz YAAVOVCXXGDYKM-LLVKDONJSA-N -1 3 390.768 3.681 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000058412314 881588015 /nfs/dbraw/zinc/58/80/15/881588015.db2.gz SWZCIXANHWANAB-UHFFFAOYSA-N -1 3 399.414 3.763 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000058412314 881588028 /nfs/dbraw/zinc/58/80/28/881588028.db2.gz SWZCIXANHWANAB-UHFFFAOYSA-N -1 3 399.414 3.763 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1F ZINC000625089242 860862652 /nfs/dbraw/zinc/86/26/52/860862652.db2.gz ZTBXNSXODASLGY-HOCLYGCPSA-N -1 3 381.444 3.719 20 0 GHADHM CSc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)n[n-]1 ZINC000481253438 860869381 /nfs/dbraw/zinc/86/93/81/860869381.db2.gz PMUCYWDLNAGMQY-UHFFFAOYSA-N -1 3 384.490 3.796 20 0 GHADHM CCN(C)c1ccccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000730110835 860875725 /nfs/dbraw/zinc/87/57/25/860875725.db2.gz VONPCRNRNSBVNA-UHFFFAOYSA-N -1 3 391.475 3.935 20 0 GHADHM COc1cc(C(N)=O)ccc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001299281703 860935981 /nfs/dbraw/zinc/93/59/81/860935981.db2.gz SMSPWALGBNPRDI-UHFFFAOYSA-N -1 3 390.439 3.537 20 0 GHADHM Cc1nc(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)[nH]c1C ZINC000899513722 860963465 /nfs/dbraw/zinc/96/34/65/860963465.db2.gz FBKXQYLNBLOGTQ-UHFFFAOYSA-N -1 3 378.270 3.514 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])cc1C ZINC000730365957 861074580 /nfs/dbraw/zinc/07/45/80/861074580.db2.gz XJLOOJDNWZMMKA-GFCCVEGCSA-N -1 3 392.249 3.956 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)Nc1cccc(Cl)c1 ZINC000730367264 861079070 /nfs/dbraw/zinc/07/90/70/861079070.db2.gz IJNMRFOIQXKFDL-SECBINFHSA-N -1 3 398.640 3.992 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)c2)[n-]1 ZINC001128519913 861187146 /nfs/dbraw/zinc/18/71/46/861187146.db2.gz ZXRLEDCDFZUEEH-KGLIPLIRSA-N -1 3 386.496 3.583 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)c2)n[n-]1 ZINC001128519913 861187154 /nfs/dbraw/zinc/18/71/54/861187154.db2.gz ZXRLEDCDFZUEEH-KGLIPLIRSA-N -1 3 386.496 3.583 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1OC ZINC000189138034 881622094 /nfs/dbraw/zinc/62/20/94/881622094.db2.gz OELZVWNAGWMARY-UHFFFAOYSA-N -1 3 388.489 3.977 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)cc(Cl)c2O1 ZINC000605496155 863116389 /nfs/dbraw/zinc/11/63/89/863116389.db2.gz ZKHHHOZRGAZRDS-ZETCQYMHSA-N -1 3 377.771 3.882 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC000172029291 863145036 /nfs/dbraw/zinc/14/50/36/863145036.db2.gz PVYNLASCLSVAFI-UWVGGRQHSA-N -1 3 376.881 3.541 20 0 GHADHM COc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482465640 863176068 /nfs/dbraw/zinc/17/60/68/863176068.db2.gz BDPQMRKRMOGTMC-NSHDSACASA-N -1 3 379.254 3.724 20 0 GHADHM COc1ccccc1-c1csc(NC(=O)c2c(C)[n-]c(=O)nc2SC)n1 ZINC000482538063 863290336 /nfs/dbraw/zinc/29/03/36/863290336.db2.gz SEZXWGWHEMJTAQ-UHFFFAOYSA-N -1 3 388.474 3.597 20 0 GHADHM C[C@@H](CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000626102462 863299863 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O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000029688158 863542954 /nfs/dbraw/zinc/54/29/54/863542954.db2.gz BSHJGTSQARYFSF-UHFFFAOYSA-N -1 3 386.451 3.657 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000606536708 863695230 /nfs/dbraw/zinc/69/52/30/863695230.db2.gz SUPFFJDLWXZNOJ-AWEZNQCLSA-N -1 3 385.464 3.674 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000444232991 863715421 /nfs/dbraw/zinc/71/54/21/863715421.db2.gz CYWHGSMMBGSTMR-HKUYNNGSSA-N -1 3 383.517 3.585 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000606667317 863756272 /nfs/dbraw/zinc/75/62/72/863756272.db2.gz QAEDOMWLBQYHAY-HIFRSBDPSA-N -1 3 379.229 3.649 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3cc(Br)ccc3C)ccc2n1 ZINC000606753885 863820553 /nfs/dbraw/zinc/82/05/53/863820553.db2.gz ORVAOBACQQSSGT-UHFFFAOYSA-N -1 3 380.267 3.514 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000606827604 863861481 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379.716 3.541 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1SCCc2sccc21 ZINC000648433073 882221518 /nfs/dbraw/zinc/22/15/18/882221518.db2.gz RQUAKWIQPYIALU-SNVBAGLBSA-N -1 3 381.832 3.551 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433018 882222135 /nfs/dbraw/zinc/22/21/35/882222135.db2.gz PNDWRCHEEDFBQW-SNVBAGLBSA-N -1 3 377.819 3.888 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1cc(F)c(F)c(F)c1 ZINC000157795031 868764499 /nfs/dbraw/zinc/76/44/99/868764499.db2.gz HEGPKOYMVPOWCP-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000648432625 882218652 /nfs/dbraw/zinc/21/86/52/882218652.db2.gz CBCUIGSVXUTBDR-JGVFFNPUSA-N -1 3 379.716 3.541 20 0 GHADHM Cc1cscc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000445634147 868787137 /nfs/dbraw/zinc/78/71/37/868787137.db2.gz DXXKDXGEIQDWMZ-SNVBAGLBSA-N -1 3 383.882 3.799 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)c3ccccc3Cl)no2)c(C)o1 ZINC000445694933 868862572 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CCc1cc2c(COC(=O)[C@@H](c3ccccc3)N(C)CC)cc(=O)oc2cc1[O-] ZINC000745100681 869290696 /nfs/dbraw/zinc/29/06/96/869290696.db2.gz MUPXLEUKNJWUSS-JOCHJYFZSA-N -1 3 395.455 3.797 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc2o1 ZINC000524575316 869292661 /nfs/dbraw/zinc/29/26/61/869292661.db2.gz NRZKGNZYTOPSCW-UHFFFAOYSA-N -1 3 392.415 3.944 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@](C)(O)Cc3ccccc3)nc(=O)c2c1C ZINC000745147546 869334812 /nfs/dbraw/zinc/33/48/12/869334812.db2.gz QFWDUWQSSGIETI-MPBGBICISA-N -1 3 386.473 3.612 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000539598367 869405277 /nfs/dbraw/zinc/40/52/77/869405277.db2.gz GWDXMHZCIRYMTC-UHFFFAOYSA-N -1 3 379.441 3.874 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cc(F)c(F)c(F)c1 ZINC000462450710 869458684 /nfs/dbraw/zinc/45/86/84/869458684.db2.gz DZDPFQPPKHYHJH-ZDUSSCGKSA-N -1 3 377.384 3.758 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000462520064 869600997 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GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c(OC(F)F)c2)[n-]c1=O ZINC000470293328 869748023 /nfs/dbraw/zinc/74/80/23/869748023.db2.gz PPTYNPOCOXLAOS-YFHOEESVSA-N -1 3 380.347 3.529 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000632465353 882349238 /nfs/dbraw/zinc/34/92/38/882349238.db2.gz NUISJLYNJZFJCA-ZETCQYMHSA-N -1 3 381.342 3.569 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(OC(F)F)cc1 ZINC000011809196 882375128 /nfs/dbraw/zinc/37/51/28/882375128.db2.gz FWEQUYCIOKJVFR-UHFFFAOYSA-N -1 3 379.146 3.718 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(Br)cc1 ZINC000011808694 882375531 /nfs/dbraw/zinc/37/55/31/882375531.db2.gz JJAAMXCXKDQASN-UHFFFAOYSA-N -1 3 392.036 3.880 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F ZINC000446625831 870142569 /nfs/dbraw/zinc/14/25/69/870142569.db2.gz WDGTUIYBKDWMFA-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COCCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000011809929 882376801 /nfs/dbraw/zinc/37/68/01/882376801.db2.gz GOSHFKUBGSHUBU-UHFFFAOYSA-N -1 3 387.263 3.816 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccc(Cl)cc1 ZINC000011810514 882378184 /nfs/dbraw/zinc/37/81/84/882378184.db2.gz CRZFLTRKKGLXAW-QMMMGPOBSA-N -1 3 375.639 3.837 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000525241211 870234162 /nfs/dbraw/zinc/23/41/62/870234162.db2.gz VMZCCQRXMYMOFP-LLVKDONJSA-N -1 3 388.880 3.905 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@@]3(C)c3ccccc3OC)nc2)n1 ZINC000462876284 870271940 /nfs/dbraw/zinc/27/19/40/870271940.db2.gz CVHPWZBJRYOVJM-GCJKJVERSA-N -1 3 376.460 3.957 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322750 870288787 /nfs/dbraw/zinc/28/87/87/870288787.db2.gz MHGYYCYRDPOCQH-HIFRSBDPSA-N -1 3 376.497 3.817 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920818629 882394895 /nfs/dbraw/zinc/39/48/95/882394895.db2.gz ZDIBIPNTFJHGRO-CQSZACIVSA-N -1 3 376.250 3.708 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(Cl)c(OC)c1 ZINC001192361536 870320213 /nfs/dbraw/zinc/32/02/13/870320213.db2.gz VAQNMWXPYBHZCD-UHFFFAOYSA-N -1 3 377.249 3.515 20 0 GHADHM CCc1c(Br)cccc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001192422385 870350143 /nfs/dbraw/zinc/35/01/43/870350143.db2.gz FZSJZAGMRUSQTI-UHFFFAOYSA-N -1 3 388.221 3.618 20 0 GHADHM Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c([O-])c1 ZINC000060238122 882400260 /nfs/dbraw/zinc/40/02/60/882400260.db2.gz YYFFUJLTLOCSAN-UHFFFAOYSA-N -1 3 384.439 3.878 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000446811021 870405071 /nfs/dbraw/zinc/40/50/71/870405071.db2.gz VEPYZGNWRXLOEH-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000193242052 870477464 /nfs/dbraw/zinc/47/74/64/870477464.db2.gz KCTWQXJUXABHTI-UHFFFAOYSA-N -1 3 399.220 3.837 20 0 GHADHM CSc1cccc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(F)c(F)c2)c1 ZINC000462950353 870510568 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3.511 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001192824049 870699163 /nfs/dbraw/zinc/69/91/63/870699163.db2.gz OYJYPKRNQXRURP-HZPDHXFCSA-N -1 3 398.507 3.679 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000667151279 870744547 /nfs/dbraw/zinc/74/45/47/870744547.db2.gz GDHSAGHCVXAPHU-UHFFFAOYSA-N -1 3 399.426 3.929 20 0 GHADHM COc1cc(OC)c(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1OC ZINC000538856447 870752824 /nfs/dbraw/zinc/75/28/24/870752824.db2.gz PAXANISFKBZJPH-UHFFFAOYSA-N -1 3 383.322 3.585 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(C(F)(F)F)c1)c1cnccc1Cl ZINC001192911928 870766702 /nfs/dbraw/zinc/76/67/02/870766702.db2.gz YODNCNATHNCUPS-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](C)c3nc(-c4cccc(F)c4)no3)cc(=O)oc12 ZINC000174338800 882453619 /nfs/dbraw/zinc/45/36/19/882453619.db2.gz FHOJBPGWSXMVOE-LBPRGKRZSA-N -1 3 395.390 3.847 20 0 GHADHM O=C(NCC(=CF)CCc1ccc(F)cc1)c1ccc(Br)c(=O)[n-]1 ZINC001193162895 870927745 /nfs/dbraw/zinc/92/77/45/870927745.db2.gz PDANRSVIQNNPGH-FMIVXFBMSA-N -1 3 397.219 3.905 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(COc3ccc(C)cc3C)o2)[n-]1 ZINC000617872312 870985058 /nfs/dbraw/zinc/98/50/58/870985058.db2.gz RJVRITZHMGTSRA-UHFFFAOYSA-N -1 3 383.404 3.628 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000617908019 871005603 /nfs/dbraw/zinc/00/56/03/871005603.db2.gz CUZNNOVDCRIXKH-UHFFFAOYSA-N -1 3 394.450 3.673 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC(F)F)c1 ZINC001193690846 871239896 /nfs/dbraw/zinc/23/98/96/871239896.db2.gz XGIAYDRQUUXKTI-UHFFFAOYSA-N -1 3 397.230 3.777 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1 ZINC000447273376 871259709 /nfs/dbraw/zinc/25/97/09/871259709.db2.gz VEEDBBMSDYJOEU-UHFFFAOYSA-N -1 3 379.478 3.608 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)N(C1CC1)C2)c1ccc([O-])cc1C(F)(F)F ZINC001193748574 871290776 /nfs/dbraw/zinc/29/07/76/871290776.db2.gz SCIRWCZKRLXJSF-UHFFFAOYSA-N -1 3 376.334 3.782 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)c(-c2ccccc2)s1 ZINC001193830898 871332471 /nfs/dbraw/zinc/33/24/71/871332471.db2.gz SAHHEOBCBPQQST-DLBZAZTESA-N -1 3 392.546 3.602 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(=Cc2ccccc2OC)c2ccccc2)[n-]1 ZINC000793963232 882503934 /nfs/dbraw/zinc/50/39/34/882503934.db2.gz HDQCAKADWIRZCY-LGMDPLHJSA-N -1 3 391.427 3.774 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(=Cc2ccccc2OC)c2ccccc2)c[n-]1 ZINC000793963232 882503948 /nfs/dbraw/zinc/50/39/48/882503948.db2.gz HDQCAKADWIRZCY-LGMDPLHJSA-N -1 3 391.427 3.774 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193923116 871394707 /nfs/dbraw/zinc/39/47/07/871394707.db2.gz VSPQZYHWHIWPPC-UHFFFAOYSA-N -1 3 375.764 3.845 20 0 GHADHM CCOC(=O)c1sc(SC)nc1[N-]C(=O)c1cc(F)c(OC)cc1F ZINC001193957715 871399592 /nfs/dbraw/zinc/39/95/92/871399592.db2.gz JHFPWNYAPGUQIK-UHFFFAOYSA-N -1 3 388.417 3.581 20 0 GHADHM C[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccc(Br)cn1 ZINC001193962599 871404610 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GHADHM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cccc2nccnc21 ZINC001194976546 872078426 /nfs/dbraw/zinc/07/84/26/872078426.db2.gz GSPVNFHSSHOXDG-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cccc2nccnc21 ZINC001194978442 872079230 /nfs/dbraw/zinc/07/92/30/872079230.db2.gz AHAIYCOFBLSCHY-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001271914218 872099064 /nfs/dbraw/zinc/09/90/64/872099064.db2.gz BEBQBWCESQLKJY-FQEVSTJZSA-N -1 3 376.884 3.585 20 0 GHADHM CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1noc2c1COCC2 ZINC000857845189 882583356 /nfs/dbraw/zinc/58/33/56/882583356.db2.gz YZGRRUPRLPIWJH-UHFFFAOYSA-N -1 3 398.440 3.905 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@]1(c2ccccc2)CCCO1 ZINC001195197102 872250520 /nfs/dbraw/zinc/25/05/20/872250520.db2.gz BRKFUTPDUAAFMY-FQEVSTJZSA-N -1 3 389.448 3.865 20 0 GHADHM COC(=O)COc1ccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000526921171 872277399 /nfs/dbraw/zinc/27/73/99/872277399.db2.gz ITPQPPKYFHWFJL-AWEZNQCLSA-N -1 3 379.412 3.588 20 0 GHADHM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1c[n-]c2ccccc2c1=O ZINC000619176004 872391675 /nfs/dbraw/zinc/39/16/75/872391675.db2.gz XMJQBMUMYGNPDH-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)c(F)cc1F ZINC000175806260 882634589 /nfs/dbraw/zinc/63/45/89/882634589.db2.gz GZKWLYYDTKXCOT-LLVKDONJSA-N -1 3 385.436 3.743 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)[n-]1 ZINC000619446443 872635018 /nfs/dbraw/zinc/63/50/18/872635018.db2.gz KKCZRENTAJTSPM-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)c[n-]1 ZINC000619446443 872635026 /nfs/dbraw/zinc/63/50/26/872635026.db2.gz KKCZRENTAJTSPM-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667304036 872639436 /nfs/dbraw/zinc/63/94/36/872639436.db2.gz KDHLZQHZZLRJRM-CYBMUJFWSA-N -1 3 392.459 3.701 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCn2c3ccccc3c3ccccc32)[n-]1 ZINC000619448588 872649358 /nfs/dbraw/zinc/64/93/58/872649358.db2.gz XIDBIHSYGUGALN-UHFFFAOYSA-N -1 3 376.416 3.723 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCn2c3ccccc3c3ccccc32)c[n-]1 ZINC000619448588 872649366 /nfs/dbraw/zinc/64/93/66/872649366.db2.gz XIDBIHSYGUGALN-UHFFFAOYSA-N -1 3 376.416 3.723 20 0 GHADHM CC(C)(CC(=O)Nc1cc(I)ccc1[O-])C(F)(F)F ZINC000619479751 872675618 /nfs/dbraw/zinc/67/56/18/872675618.db2.gz BYHDQBQSJSIGEL-UHFFFAOYSA-N -1 3 387.139 3.914 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCC(F)(F)C2)s1 ZINC001195830440 872699906 /nfs/dbraw/zinc/69/99/06/872699906.db2.gz IPOMZWFSNRRUFQ-SECBINFHSA-N -1 3 388.299 3.923 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1Cc2ccc(Cl)cc2C1 ZINC001195830962 872700683 /nfs/dbraw/zinc/70/06/83/872700683.db2.gz QCCLXVFKWFOTIN-HNNXBMFYSA-N -1 3 379.840 3.979 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3ncccc3[O-])cn2)c1 ZINC000527154564 872737126 /nfs/dbraw/zinc/73/71/26/872737126.db2.gz BNJRSVNYGJQUPY-UHFFFAOYSA-N -1 3 378.432 3.591 20 0 GHADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2)no1 ZINC000527208808 872810800 /nfs/dbraw/zinc/81/08/00/872810800.db2.gz ZKUACTAYQJTIKL-MRXNPFEDSA-N -1 3 395.463 3.574 20 0 GHADHM Cn1ncc2c1ncnc2[N-]c1nc(-c2ccc(Br)cc2)cs1 ZINC000163108488 872820401 /nfs/dbraw/zinc/82/04/01/872820401.db2.gz SJHMYLINCVQVHB-UHFFFAOYSA-N -1 3 387.266 3.993 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448113365 872869130 /nfs/dbraw/zinc/86/91/30/872869130.db2.gz JVMVOQSPUSULKS-UHFFFAOYSA-N -1 3 393.353 3.611 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@H]1CCCC(F)(F)C1 ZINC000619726271 872926496 /nfs/dbraw/zinc/92/64/96/872926496.db2.gz KHWXZYQKXWRLND-QMMMGPOBSA-N -1 3 381.160 3.761 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC001196272212 872981621 /nfs/dbraw/zinc/98/16/21/872981621.db2.gz BIJRZIPYXVBZPJ-QGZVFWFLSA-N -1 3 398.887 3.710 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000619752419 872988084 /nfs/dbraw/zinc/98/80/84/872988084.db2.gz ZCTPEPXCBFHJPL-JTQLQIEISA-N -1 3 381.500 3.789 20 0 GHADHM Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N[N-]C(=O)c2cnn(C)c2)c1 ZINC000182942490 872990412 /nfs/dbraw/zinc/99/04/12/872990412.db2.gz VPKMWXGDDIQJID-UHFFFAOYSA-N -1 3 399.838 3.641 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(I)c2)CCC1(F)F ZINC001196403254 873077426 /nfs/dbraw/zinc/07/74/26/873077426.db2.gz XICALJIDOPHTJT-VIFPVBQESA-N -1 3 395.187 3.504 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1F ZINC001196435923 873085736 /nfs/dbraw/zinc/08/57/36/873085736.db2.gz FGRCLNWSDSLNQQ-UHFFFAOYSA-N -1 3 378.812 3.532 20 0 GHADHM CCCCc1nc(NC(=O)Cc2c[nH]c3cccc(OC)c23)c(C(=O)OCC)[n-]1 ZINC000191962958 882684531 /nfs/dbraw/zinc/68/45/31/882684531.db2.gz ZBSSNHGHQCYNRN-UHFFFAOYSA-N -1 3 398.463 3.600 20 0 GHADHM Cc1ccc(CCNC(=O)c2cc([O-])cc(I)c2)c(C)c1 ZINC001196429258 873110701 /nfs/dbraw/zinc/11/07/01/873110701.db2.gz XTQFEQIDUAPECY-UHFFFAOYSA-N -1 3 395.240 3.586 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C1CCC1)C(F)(F)F ZINC001196567487 873180137 /nfs/dbraw/zinc/18/01/37/873180137.db2.gz CPWIYHCYWUSKLV-LBPRGKRZSA-N -1 3 386.233 3.767 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1C(C)C ZINC000527500008 873184557 /nfs/dbraw/zinc/18/45/57/873184557.db2.gz OLBVXRXLZJBXMB-SFHVURJKSA-N -1 3 379.464 3.553 20 0 GHADHM COc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(O)ccc1Cl ZINC001196607129 873227335 /nfs/dbraw/zinc/22/73/35/873227335.db2.gz GPHLKHWDFOHFBL-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C)cc(=O)[n-]1 ZINC000768416400 873315088 /nfs/dbraw/zinc/31/50/88/873315088.db2.gz YGDGJEBWGPUNDR-UHFFFAOYSA-N -1 3 391.884 3.627 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OCc2ccccc2)c1 ZINC001196719560 873319071 /nfs/dbraw/zinc/31/90/71/873319071.db2.gz QGWFWWXGSUMIFE-RTBURBONSA-N -1 3 393.480 3.641 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(N4CCSCC4)cc3)c([O-])c2O1 ZINC000743505593 873383865 /nfs/dbraw/zinc/38/38/65/873383865.db2.gz ZUIUYQHZWGRPKF-UHFFFAOYSA-N -1 3 384.501 3.911 20 0 GHADHM CN1CCO[C@H]([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)C1 ZINC000494629231 882716981 /nfs/dbraw/zinc/71/69/81/882716981.db2.gz BZZILKWBXGUJEK-ZWKOTPCHSA-N -1 3 395.286 3.501 20 0 GHADHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000775747504 873390366 /nfs/dbraw/zinc/39/03/66/873390366.db2.gz XPERTHZRSZDART-CHWSQXEVSA-N -1 3 387.288 3.622 20 0 GHADHM COc1cc(C)c(S(=O)(=O)Nc2cccc([O-])c2Br)c(C)c1 ZINC001196884983 873427064 /nfs/dbraw/zinc/42/70/64/873427064.db2.gz FGZSNIBHXOULKY-UHFFFAOYSA-N -1 3 386.267 3.581 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3ccc(OC)cc3)c2)n1 ZINC000061162491 882721781 /nfs/dbraw/zinc/72/17/81/882721781.db2.gz CGLDRDSIUVKJPE-UHFFFAOYSA-N -1 3 391.471 3.969 20 0 GHADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000102748844 873527238 /nfs/dbraw/zinc/52/72/38/873527238.db2.gz DXICSWUBNSUKOH-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC001197026358 873550131 /nfs/dbraw/zinc/55/01/31/873550131.db2.gz SBEJATKJKVKSAT-UHFFFAOYSA-N -1 3 396.394 3.539 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)CC2CCC2)ccc1F ZINC000794393495 882747341 /nfs/dbraw/zinc/74/73/41/882747341.db2.gz JQTBHNKGLKPLNI-UHFFFAOYSA-N -1 3 396.528 3.555 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2cc(-c3ccccc3O)no2)c1F ZINC001197421403 873803031 /nfs/dbraw/zinc/80/30/31/873803031.db2.gz DMORSKPTKJNCPR-UHFFFAOYSA-N -1 3 376.315 3.560 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cccnc2)c(F)c1 ZINC001197465044 873820950 /nfs/dbraw/zinc/82/09/50/873820950.db2.gz RZTYSYZUKQQIIJ-UHFFFAOYSA-N -1 3 381.429 3.510 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541573075 873886805 /nfs/dbraw/zinc/88/68/05/873886805.db2.gz ZUUQMEMBJKCRPY-NSHDSACASA-N -1 3 397.338 3.894 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ncc(Br)cc1Cl ZINC001197556354 873897328 /nfs/dbraw/zinc/89/73/28/873897328.db2.gz HROXHQMKLQMVDQ-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM CCOC(=O)c1cc(C)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c(C)c1 ZINC001197603243 873936952 /nfs/dbraw/zinc/93/69/52/873936952.db2.gz OFSQKEMSFVYJTO-UHFFFAOYSA-N -1 3 383.416 3.700 20 0 GHADHM Cc1nc(-c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cc2)no1 ZINC001197684558 873978830 /nfs/dbraw/zinc/97/88/30/873978830.db2.gz CNXLNTDVOHUJHZ-UHFFFAOYSA-N -1 3 381.816 3.779 20 0 GHADHM Cc1noc(-c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cc2)n1 ZINC001197685136 873979705 /nfs/dbraw/zinc/97/97/05/873979705.db2.gz NHEMEEPCXHGHBT-UHFFFAOYSA-N -1 3 381.816 3.779 20 0 GHADHM Cc1cc2ncc(C)c(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])n2n1 ZINC001197700622 873989258 /nfs/dbraw/zinc/98/92/58/873989258.db2.gz PAJOIZDFJBOLPA-UHFFFAOYSA-N -1 3 388.427 3.883 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC001197761897 874000389 /nfs/dbraw/zinc/00/03/89/874000389.db2.gz INTUDNQTYXKGAQ-UHFFFAOYSA-N -1 3 392.691 3.949 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C)(C)C3)c2)cc1 ZINC000464536287 874057847 /nfs/dbraw/zinc/05/78/47/874057847.db2.gz BDOOBCFIKZZDOI-UHFFFAOYSA-N -1 3 386.517 3.976 20 0 GHADHM CC(C)[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)N1CCc2ccccc2C1 ZINC000541681880 874120284 /nfs/dbraw/zinc/12/02/84/874120284.db2.gz HNSVTDZZLRWZLM-KRWDZBQOSA-N -1 3 392.421 3.622 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2C1 ZINC000769601199 874187164 /nfs/dbraw/zinc/18/71/64/874187164.db2.gz BQTHRJIVGIYVQI-UHFFFAOYSA-N -1 3 386.423 3.712 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000769740070 874276043 /nfs/dbraw/zinc/27/60/43/874276043.db2.gz AHGHHTWCIOCQOO-PBHICJAKSA-N -1 3 376.497 3.863 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC001198245442 874308773 /nfs/dbraw/zinc/30/87/73/874308773.db2.gz AXLDPHBIUVCBTM-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3C)cc2C1 ZINC000769866643 874309210 /nfs/dbraw/zinc/30/92/10/874309210.db2.gz ZEQVKTGIXLRDFD-MRXNPFEDSA-N -1 3 396.306 3.672 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000770008405 874400316 /nfs/dbraw/zinc/40/03/16/874400316.db2.gz MAPCOVCMQOZMOC-WMZOPIPTSA-N -1 3 383.444 3.629 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)cc2)n1 ZINC000541864004 874416075 /nfs/dbraw/zinc/41/60/75/874416075.db2.gz ZGMAYERJJCAOMA-LJQANCHMSA-N -1 3 389.455 3.892 20 0 GHADHM CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc([O-])cc(Br)c1 ZINC000528338947 874430694 /nfs/dbraw/zinc/43/06/94/874430694.db2.gz HPBDWYWXYPOTQI-QGZVFWFLSA-N -1 3 376.250 3.541 20 0 GHADHM O=C(CCCn1cncn1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770081838 874444612 /nfs/dbraw/zinc/44/46/12/874444612.db2.gz LSRZJFFXHPGWTA-UHFFFAOYSA-N -1 3 379.445 3.679 20 0 GHADHM C[C@@H](Oc1cccnc1NC(=O)NN=c1ccc(Cl)n[n-]1)c1ccccc1 ZINC000163293923 874483642 /nfs/dbraw/zinc/48/36/42/874483642.db2.gz ZXWPNQBKKAKKMY-GFCCVEGCSA-N -1 3 384.827 3.814 20 0 GHADHM C=CS(=O)(=O)[N-]c1cc(Br)ccc1NC(=O)OC(C)(C)C ZINC001198620658 874551198 /nfs/dbraw/zinc/55/11/98/874551198.db2.gz KKQLRTCATSHJQC-UHFFFAOYSA-N -1 3 377.260 3.681 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccco1 ZINC000528436329 874572149 /nfs/dbraw/zinc/57/21/49/874572149.db2.gz ICHHDZPQKQICCA-JTQLQIEISA-N -1 3 390.383 3.802 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc2ccccc2c1 ZINC001198710572 874600855 /nfs/dbraw/zinc/60/08/55/874600855.db2.gz WZHDFXGYLGLGBQ-GFCCVEGCSA-N -1 3 376.865 3.936 20 0 GHADHM Cc1ccccc1CNc1ccccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000542084650 874897011 /nfs/dbraw/zinc/89/70/11/874897011.db2.gz BPHQXLWCLAUGRR-UHFFFAOYSA-N -1 3 376.460 3.901 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccncc1N1CCCCC1 ZINC001199363439 874945201 /nfs/dbraw/zinc/94/52/01/874945201.db2.gz JJRDAJUFXZWGSX-UHFFFAOYSA-N -1 3 376.254 3.792 20 0 GHADHM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000465028570 874973810 /nfs/dbraw/zinc/97/38/10/874973810.db2.gz PFGRJBDCCVIPSS-KSSFIOAISA-N -1 3 390.480 3.935 20 0 GHADHM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([O-])cc(Br)c1 ZINC000528760850 875008156 /nfs/dbraw/zinc/00/81/56/875008156.db2.gz DKRMTFBIOGJTIV-UHFFFAOYSA-N -1 3 381.295 3.762 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000528863664 875167216 /nfs/dbraw/zinc/16/72/16/875167216.db2.gz OVJVTSSQSUXULB-INIZCTEOSA-N -1 3 375.266 3.871 20 0 GHADHM CC[C@H](C)[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)C(=O)OC(C)(C)C ZINC000776021466 875179189 /nfs/dbraw/zinc/17/91/89/875179189.db2.gz XJUOGFJFFWVHKJ-SGTLLEGYSA-N -1 3 375.465 3.653 20 0 GHADHM [O-]c1ccc(I)cc1NC(=S)NCC1CCCCC1 ZINC001199928797 875245223 /nfs/dbraw/zinc/24/52/23/875245223.db2.gz VHBGDEHVEDOHKY-UHFFFAOYSA-N -1 3 390.290 3.864 20 0 GHADHM Cc1ccc(CNC(=O)NCc2cnc(C)[n-]c2=O)c(O[C@@H](C)CC(C)C)c1 ZINC000542270140 875302724 /nfs/dbraw/zinc/30/27/24/875302724.db2.gz VKRUSMKQNOCURK-HNNXBMFYSA-N -1 3 386.496 3.612 20 0 GHADHM COc1ccc(NC(=S)NCc2cc(Cl)c([O-])c(OC)c2)c(OC)c1 ZINC001200991117 875451846 /nfs/dbraw/zinc/45/18/46/875451846.db2.gz MYGVYJUFUKKCGW-UHFFFAOYSA-N -1 3 382.869 3.558 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000122999073 882932294 /nfs/dbraw/zinc/93/22/94/882932294.db2.gz CWEPJVFZFOWFBA-CQSZACIVSA-N -1 3 375.428 3.904 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c(F)c1F ZINC001201049272 875492246 /nfs/dbraw/zinc/49/22/46/875492246.db2.gz ZPHPZUZDDXJBIB-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)n1 ZINC000542462366 875587515 /nfs/dbraw/zinc/58/75/15/875587515.db2.gz YXTMZXYQLVDYBB-HOTGVXAUSA-N -1 3 397.475 3.516 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cnn1CC(C)C ZINC000120205781 875720763 /nfs/dbraw/zinc/72/07/63/875720763.db2.gz BRBQYAQZHFHHCD-UHFFFAOYSA-N -1 3 393.491 3.667 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cccc(F)c1Br ZINC001201789971 875885445 /nfs/dbraw/zinc/88/54/45/875885445.db2.gz RTGIQKCLFNUPRM-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529254410 875934895 /nfs/dbraw/zinc/93/48/95/875934895.db2.gz DJFUMAXYPQGLDO-AHBIMHKDSA-N -1 3 382.298 3.556 20 0 GHADHM C[C@@]12CCN(C(=O)c3cc([O-])cc(Br)c3)C[C@@H]1C2(Cl)Cl ZINC000529310788 875995478 /nfs/dbraw/zinc/99/54/78/875995478.db2.gz SATUYZOCJJKGEP-WCQYABFASA-N -1 3 379.081 3.811 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cnc2ccccc2n1 ZINC000173222493 876256178 /nfs/dbraw/zinc/25/61/78/876256178.db2.gz LBRMMWSITQIAJV-UHFFFAOYSA-N -1 3 381.848 3.978 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000785952702 876361971 /nfs/dbraw/zinc/36/19/71/876361971.db2.gz OMUJPSSSDCMZCQ-NSHDSACASA-N -1 3 381.341 3.745 20 0 GHADHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450389581 876365297 /nfs/dbraw/zinc/36/52/97/876365297.db2.gz KEZXJBMKGCIUKS-ADLMAVQZSA-N -1 3 396.256 3.729 20 0 GHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000786031240 876417863 /nfs/dbraw/zinc/41/78/63/876417863.db2.gz KHTSVZZMNWUBKI-YFKPBYRVSA-N -1 3 388.248 3.640 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc3occc3[n-]2)C(C)C)c1 ZINC000786031921 876418352 /nfs/dbraw/zinc/41/83/52/876418352.db2.gz UZQBPWOMKNZFAM-GOSISDBHSA-N -1 3 383.404 3.539 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000786138974 876467795 /nfs/dbraw/zinc/46/77/95/876467795.db2.gz FOIWDFXLRFDLCT-LRDDRELGSA-N -1 3 397.452 3.792 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NC(=O)Nc1ccccc1 ZINC000786139460 876467963 /nfs/dbraw/zinc/46/79/63/876467963.db2.gz HXNDMMOUVRWBAM-NSHDSACASA-N -1 3 384.413 3.501 20 0 GHADHM O=C(OCc1nc(-c2cccc(Br)c2)no1)c1ccc([O-])cc1 ZINC000007099365 876526001 /nfs/dbraw/zinc/52/60/01/876526001.db2.gz PDRUTOSGWVFSAZ-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H](C)C(F)F ZINC000786513761 876763164 /nfs/dbraw/zinc/76/31/64/876763164.db2.gz KJSOMTVCGTWAKN-NSHDSACASA-N -1 3 387.379 3.745 20 0 GHADHM CC(C)(C)c1nc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cs1 ZINC000450693106 876773068 /nfs/dbraw/zinc/77/30/68/876773068.db2.gz CTHKUWLBGKLOER-UHFFFAOYSA-N -1 3 377.857 3.837 20 0 GHADHM C[C@@H]1CC[C@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850577273 877048902 /nfs/dbraw/zinc/04/89/02/877048902.db2.gz XQNJRPIUBXBKEQ-KDOFPFPSSA-N -1 3 398.507 3.935 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C)c1ccccc1 ZINC000450987172 877154104 /nfs/dbraw/zinc/15/41/04/877154104.db2.gz KAZPAPWENBKGAH-INIZCTEOSA-N -1 3 384.295 3.887 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000787119068 877160901 /nfs/dbraw/zinc/16/09/01/877160901.db2.gz NFAXZMVWFPUYBL-ZBFHGGJFSA-N -1 3 376.497 3.720 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(COCC2CC2)c1)c1ccc(F)cc1 ZINC000530133897 877179559 /nfs/dbraw/zinc/17/95/59/877179559.db2.gz KFNRFAUDXMPGNN-FQEVSTJZSA-N -1 3 393.480 3.882 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000450983720 877190334 /nfs/dbraw/zinc/19/03/34/877190334.db2.gz ZJSALZFKNAMGKO-MRXNPFEDSA-N -1 3 389.395 3.757 20 0 GHADHM C=COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC001129699981 883109077 /nfs/dbraw/zinc/10/90/77/883109077.db2.gz BVSJSOWZMNWEGE-UHFFFAOYSA-N -1 3 392.452 3.677 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000451065191 877319753 /nfs/dbraw/zinc/31/97/53/877319753.db2.gz YKGSCRNSDLUKJD-CYBMUJFWSA-N -1 3 379.815 3.781 20 0 GHADHM Cc1ccnc(-c2n[nH]c([C@@H](C)[N-]C(=O)C(F)(F)c3cccc(Cl)c3)n2)c1 ZINC000787805926 877606494 /nfs/dbraw/zinc/60/64/94/877606494.db2.gz DUXJPMSCGQQGHP-LLVKDONJSA-N -1 3 391.809 3.798 20 0 GHADHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000787841825 877660517 /nfs/dbraw/zinc/66/05/17/877660517.db2.gz ARZLPVRKUHOICC-QFIPXVFZSA-N -1 3 385.435 3.665 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(OC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787848036 877668425 /nfs/dbraw/zinc/66/84/25/877668425.db2.gz KGLKBWXNIAPNOO-UHFFFAOYSA-N -1 3 381.444 3.797 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)sc1Cl ZINC000530386240 877716426 /nfs/dbraw/zinc/71/64/26/877716426.db2.gz SBTXTRWKDJINPD-NSHDSACASA-N -1 3 399.843 3.741 20 0 GHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)s1 ZINC000451315661 877766703 /nfs/dbraw/zinc/76/67/03/877766703.db2.gz JGEJAQBSCNPMOY-UHFFFAOYSA-N -1 3 396.925 3.516 20 0 GHADHM COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc(OC)c1[O-] ZINC000551890488 877969653 /nfs/dbraw/zinc/96/96/53/877969653.db2.gz SZQHSBSFTQCKGK-UHFFFAOYSA-N -1 3 378.428 3.820 20 0 GHADHM CCc1nc(CN2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cs1 ZINC000788288571 877997384 /nfs/dbraw/zinc/99/73/84/877997384.db2.gz PCIOYJYFXGOFGX-UHFFFAOYSA-N -1 3 387.530 3.584 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1cc(Cl)ccc1C(F)(F)F ZINC000551956911 878063567 /nfs/dbraw/zinc/06/35/67/878063567.db2.gz JPVFLCKNIJITMJ-UHFFFAOYSA-N -1 3 391.798 3.772 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000788479450 878092645 /nfs/dbraw/zinc/09/26/45/878092645.db2.gz AKATVTINJSZOCW-UHFFFAOYSA-N -1 3 379.821 3.564 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000176190174 878136918 /nfs/dbraw/zinc/13/69/18/878136918.db2.gz GNNLLLIZDZHFMA-SFHVURJKSA-N -1 3 377.444 3.850 20 0 GHADHM CCc1cccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[O-] ZINC000530641582 878252146 /nfs/dbraw/zinc/25/21/46/878252146.db2.gz YBEHGKQZOVZSAO-UHFFFAOYSA-N -1 3 380.275 3.619 20 0 GHADHM COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000530678101 878307223 /nfs/dbraw/zinc/30/72/23/878307223.db2.gz LMYJQGQXGPAVCZ-UHFFFAOYSA-N -1 3 378.222 3.547 20 0 GHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)c2)n1 ZINC000537838416 878365489 /nfs/dbraw/zinc/36/54/89/878365489.db2.gz NOJCUQWLEMTYDL-UHFFFAOYSA-N -1 3 399.472 3.733 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460690047 878391634 /nfs/dbraw/zinc/39/16/34/878391634.db2.gz GNBJFKSFGIYBFQ-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460690047 878391651 /nfs/dbraw/zinc/39/16/51/878391651.db2.gz GNBJFKSFGIYBFQ-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)c2cccc(Cl)c2)sc1Cl ZINC000788906478 878442215 /nfs/dbraw/zinc/44/22/15/878442215.db2.gz XWRCXFRVXIEEAQ-AWEZNQCLSA-N -1 3 380.318 3.549 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cnc(-c2ccccn2)s1 ZINC000176959753 878495676 /nfs/dbraw/zinc/49/56/76/878495676.db2.gz ZVTBRSNMNRLTME-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM CCNc1ncc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)s1 ZINC000177014686 878525587 /nfs/dbraw/zinc/52/55/87/878525587.db2.gz GTWSCBMHJYLIKI-UHFFFAOYSA-N -1 3 377.520 3.971 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1F ZINC000177182167 878589717 /nfs/dbraw/zinc/58/97/17/878589717.db2.gz WYRCXPFZNXVCKG-UHFFFAOYSA-N -1 3 397.154 3.904 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)COC(F)(F)F)onc1-c1ccccc1 ZINC001183206791 912368102 /nfs/dbraw/zinc/36/81/02/912368102.db2.gz WJSZXTGXURKPDI-UHFFFAOYSA-N -1 3 386.326 3.772 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460834586 878688888 /nfs/dbraw/zinc/68/88/88/878688888.db2.gz HUXPCYXLHWFOON-UHFFFAOYSA-N -1 3 391.489 3.727 20 0 GHADHM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1)C(C)=O ZINC000538014068 878714787 /nfs/dbraw/zinc/71/47/87/878714787.db2.gz PCVVFGZGGCYEPI-UHFFFAOYSA-N -1 3 390.505 3.643 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000451962231 878738078 /nfs/dbraw/zinc/73/80/78/878738078.db2.gz VVZZITVVWRAKRE-UHFFFAOYSA-N -1 3 382.791 3.778 20 0 GHADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1NC(=O)OC(C)(C)C ZINC000853046072 878768267 /nfs/dbraw/zinc/76/82/67/878768267.db2.gz RPYIDIPXGSVEIY-GFCCVEGCSA-N -1 3 387.358 3.719 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3CC(=O)c4ccccc43)nc(=O)c2c1C ZINC000789301661 878817169 /nfs/dbraw/zinc/81/71/69/878817169.db2.gz BNAWSVGYMOPQDU-HZMBPMFUSA-N -1 3 382.441 3.988 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000789735012 879204913 /nfs/dbraw/zinc/20/49/13/879204913.db2.gz MKLPSTPXUDJTOA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000790077615 879418196 /nfs/dbraw/zinc/41/81/96/879418196.db2.gz VTKBTGNPMBBCRO-AWEZNQCLSA-N -1 3 386.411 3.809 20 0 GHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000790077615 879418207 /nfs/dbraw/zinc/41/82/07/879418207.db2.gz VTKBTGNPMBBCRO-AWEZNQCLSA-N -1 3 386.411 3.809 20 0 GHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000790077615 879418217 /nfs/dbraw/zinc/41/82/17/879418217.db2.gz VTKBTGNPMBBCRO-AWEZNQCLSA-N -1 3 386.411 3.809 20 0 GHADHM O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000531253802 879437995 /nfs/dbraw/zinc/43/79/95/879437995.db2.gz ICVIKTXGUOEPQM-UHFFFAOYSA-N -1 3 393.212 3.651 20 0 GHADHM Cc1[nH]nc2ncc(C(=O)N=c3cc(-c4cc(Cl)cc(Cl)c4)[n-][nH]3)cc12 ZINC000531275257 879457989 /nfs/dbraw/zinc/45/79/89/879457989.db2.gz SNHKCYXEAXUGKJ-UHFFFAOYSA-N -1 3 387.230 3.637 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=C3CCC(C)(C)CC3)c2)[n-]1 ZINC000790160529 879498698 /nfs/dbraw/zinc/49/86/98/879498698.db2.gz QXYAJEQBCSGLLH-UHFFFAOYSA-N -1 3 396.491 3.791 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=C3CCC(C)(C)CC3)c2)n[n-]1 ZINC000790160529 879498711 /nfs/dbraw/zinc/49/87/11/879498711.db2.gz QXYAJEQBCSGLLH-UHFFFAOYSA-N -1 3 396.491 3.791 20 0 GHADHM COc1cccc(C2(C(=O)N=c3cc(-c4cc(Cl)ccc4OC)[n-][nH]3)CC2)c1 ZINC000493644117 879575358 /nfs/dbraw/zinc/57/53/58/879575358.db2.gz RAOIMOSFCIDNAX-UHFFFAOYSA-N -1 3 397.862 3.840 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1)c1cccc(Cl)c1Br ZINC000493685756 879582163 /nfs/dbraw/zinc/58/21/63/879582163.db2.gz SKVOYNJQCBBCRZ-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCS1 ZINC000493889027 879702179 /nfs/dbraw/zinc/70/21/79/879702179.db2.gz RHBCYVWSRFCIDD-LBPRGKRZSA-N -1 3 384.748 3.667 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(F)(F)F ZINC000493928852 879740744 /nfs/dbraw/zinc/74/07/44/879740744.db2.gz VLWCQKLOEGATLQ-JTQLQIEISA-N -1 3 385.835 3.996 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2nc(-c3ccsc3)oc2C)cc1OC ZINC000112336293 879893340 /nfs/dbraw/zinc/89/33/40/879893340.db2.gz PIDMJADGRHLRPK-UHFFFAOYSA-N -1 3 388.445 3.519 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(Cl)c(OC)c3)nc21 ZINC000494128516 879908587 /nfs/dbraw/zinc/90/85/87/879908587.db2.gz ZDUIJEGKRKITRR-UHFFFAOYSA-N -1 3 387.823 3.583 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000452748650 879971690 /nfs/dbraw/zinc/97/16/90/879971690.db2.gz KUOPAGLNZMWAJV-NSHDSACASA-N -1 3 390.281 3.957 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000855042632 880239544 /nfs/dbraw/zinc/23/95/44/880239544.db2.gz RMKVDQUUPFMTQQ-LSDHHAIUSA-N -1 3 380.872 3.611 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CC1(CSc2ccccc2)CC1 ZINC000184183081 880242772 /nfs/dbraw/zinc/24/27/72/880242772.db2.gz WWSSAVJQSJAIRH-UHFFFAOYSA-N -1 3 390.530 3.959 20 0 GHADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000791374853 880356860 /nfs/dbraw/zinc/35/68/60/880356860.db2.gz URTOSAMUFYPGOV-LBPRGKRZSA-N -1 3 376.478 3.688 20 0 GHADHM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc2sccc2c([O-])c1 ZINC000791378827 880358908 /nfs/dbraw/zinc/35/89/08/880358908.db2.gz CIENCAVSJYOJMB-HNNXBMFYSA-N -1 3 386.860 3.796 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C1CC2(C1)COC(c1ccccc1)OC2 ZINC001183469845 912558918 /nfs/dbraw/zinc/55/89/18/912558918.db2.gz POVOXXOAFWDXNR-UHFFFAOYSA-N -1 3 381.428 3.675 20 0 GHADHM Cc1cccc(C)c1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531734199 880363724 /nfs/dbraw/zinc/36/37/24/880363724.db2.gz ZRTIMZJGAIXJDU-UHFFFAOYSA-N -1 3 399.288 3.880 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CO[C@@H]3CCCC[C@@H]3CC)c2)n1 ZINC000184749978 880373548 /nfs/dbraw/zinc/37/35/48/880373548.db2.gz PPJVEMWAMQWPNR-HNAYVOBHSA-N -1 3 383.492 3.923 20 0 GHADHM COC(CCCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl)OC ZINC000791411525 880393813 /nfs/dbraw/zinc/39/38/13/880393813.db2.gz LZFONGYGFVUQKY-UHFFFAOYSA-N -1 3 381.897 3.573 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]nc1-c1ccccc1F ZINC000531773676 880456221 /nfs/dbraw/zinc/45/62/21/880456221.db2.gz ZRUCHCKRCZBFOT-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc2[nH]1 ZINC000531781825 880473416 /nfs/dbraw/zinc/47/34/16/880473416.db2.gz ZGUPBUVFIRUDGN-UHFFFAOYSA-N -1 3 396.472 3.548 20 0 GHADHM CN(Cc1ccc(F)cc1Br)C(=O)c1nnc2ccccc2c1[O-] ZINC000791533777 880485377 /nfs/dbraw/zinc/48/53/77/880485377.db2.gz ZTRFTDZEOMMFJD-UHFFFAOYSA-N -1 3 390.212 3.509 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185227092 880513648 /nfs/dbraw/zinc/51/36/48/880513648.db2.gz MOGYCDWSAQDWJV-UHFFFAOYSA-N -1 3 399.241 3.879 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1nccn1C)c1ccccc1 ZINC000531854892 880613879 /nfs/dbraw/zinc/61/38/79/880613879.db2.gz MYMHKOMMVXDDKS-SFHVURJKSA-N -1 3 399.447 3.682 20 0 GHADHM O=C(OCc1cccc(C(F)F)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000791760584 880691245 /nfs/dbraw/zinc/69/12/45/880691245.db2.gz PIGVCNOKIATLNR-UHFFFAOYSA-N -1 3 399.390 3.561 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(C3(C)CC3)no2)c1[O-] ZINC000453331024 880765242 /nfs/dbraw/zinc/76/52/42/880765242.db2.gz ZEGVGCRPAALMEU-UHFFFAOYSA-N -1 3 389.411 3.598 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C4(C)CC4)no3)c2)cc1 ZINC000453325073 880796836 /nfs/dbraw/zinc/79/68/36/880796836.db2.gz QYOGSKYYALLKPV-UHFFFAOYSA-N -1 3 399.472 3.906 20 0 GHADHM CC(C)(C)c1ccc(N2CCC(NC(=O)NCc3ncccc3[O-])CC2)cc1 ZINC000792050336 880894278 /nfs/dbraw/zinc/89/42/78/880894278.db2.gz FGMIYXWCELBJRS-UHFFFAOYSA-N -1 3 382.508 3.553 20 0 GHADHM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc([O-])c2ccccc2c1 ZINC000792289202 881016026 /nfs/dbraw/zinc/01/60/26/881016026.db2.gz NNZBOHRSZXGTII-KRWDZBQOSA-N -1 3 386.245 3.771 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc([C@@H]4CCCO4)s3)c2)n1 ZINC000119655686 881083195 /nfs/dbraw/zinc/08/31/95/881083195.db2.gz SXWJQFMMRCERDU-HNNXBMFYSA-N -1 3 396.472 3.560 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccn1Cc1ccncc1 ZINC000792480894 881135715 /nfs/dbraw/zinc/13/57/15/881135715.db2.gz GFNYTZHPIPSPGI-UHFFFAOYSA-N -1 3 384.399 3.715 20 0 GHADHM CCCCc1nc(NC(=O)C=Cc2ccc(Cl)nc2)c(C(=O)OCC)[n-]1 ZINC000792553181 881182790 /nfs/dbraw/zinc/18/27/90/881182790.db2.gz HSSJGAODWHNRRZ-CSKARUKUSA-N -1 3 376.844 3.629 20 0 GHADHM CCCCc1nc(NC(=O)C=Cc2cnc3ccccc3n2)c(C(=O)OCC)[n-]1 ZINC000792552786 881184731 /nfs/dbraw/zinc/18/47/31/881184731.db2.gz BZAQQEOVQIHPGI-VAWYXSNFSA-N -1 3 393.447 3.524 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1c([O-])cccc1Cl ZINC000792555980 881189006 /nfs/dbraw/zinc/18/90/06/881189006.db2.gz QJBPEPUNEKZCEW-UHFFFAOYSA-N -1 3 376.806 3.581 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000120118878 881269722 /nfs/dbraw/zinc/26/97/22/881269722.db2.gz DPGKVLXHSQJRHG-CYBMUJFWSA-N -1 3 380.419 3.947 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H]1Cc1ccccc1 ZINC000640292602 881286341 /nfs/dbraw/zinc/28/63/41/881286341.db2.gz NANGABMYIPIJFU-CYBMUJFWSA-N -1 3 386.805 3.760 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)s1 ZINC000532166602 881337649 /nfs/dbraw/zinc/33/76/49/881337649.db2.gz FGDCYJJHWMSDQO-GFCCVEGCSA-N -1 3 388.308 3.539 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cn2)cc1C ZINC000551049484 883171577 /nfs/dbraw/zinc/17/15/77/883171577.db2.gz MQUIJLLJKPRGFY-UHFFFAOYSA-N -1 3 391.427 3.565 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc3c(s1)CCCC3(C)C)c2=O ZINC001183647245 912692329 /nfs/dbraw/zinc/69/23/29/912692329.db2.gz IWMBRDQMUFAMTC-UHFFFAOYSA-N -1 3 383.473 3.859 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000747219728 883419675 /nfs/dbraw/zinc/41/96/75/883419675.db2.gz FSKASOMKIQHJPU-KRWDZBQOSA-N -1 3 383.366 3.878 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000185835052 883578020 /nfs/dbraw/zinc/57/80/20/883578020.db2.gz ZFLFBBWXXOZKEO-ZDUSSCGKSA-N -1 3 383.429 3.663 20 0 GHADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000186538491 883663105 /nfs/dbraw/zinc/66/31/05/883663105.db2.gz ZRFMJIOCEHCBAU-WBMJQRKESA-N -1 3 390.281 3.842 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c(=O)[n-]1 ZINC000729862982 883831683 /nfs/dbraw/zinc/83/16/83/883831683.db2.gz KJHYFEWEOICXAN-UHFFFAOYSA-N -1 3 375.297 3.634 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c(C)c1 ZINC000194728460 883911797 /nfs/dbraw/zinc/91/17/97/883911797.db2.gz YRUKPLXXLSZRSJ-UHFFFAOYSA-N -1 3 396.896 3.550 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(Cl)c1 ZINC000914521627 884000432 /nfs/dbraw/zinc/00/04/32/884000432.db2.gz GZOPTVYUIQPRCC-UHFFFAOYSA-N -1 3 396.871 3.587 20 0 GHADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000859807779 884081303 /nfs/dbraw/zinc/08/13/03/884081303.db2.gz MCOAEECBGICFBB-LJQANCHMSA-N -1 3 381.520 3.916 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc(Br)c(F)cc1F ZINC000760238519 884136559 /nfs/dbraw/zinc/13/65/59/884136559.db2.gz YMFQOBREKKUOIY-UHFFFAOYSA-N -1 3 385.193 3.826 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)s1 ZINC000615137162 884149416 /nfs/dbraw/zinc/14/94/16/884149416.db2.gz ABULXKGQENBXRM-UHFFFAOYSA-N -1 3 385.445 3.589 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3Cc4ccccc4S3)nc(=O)c2c1C ZINC000012994133 884164218 /nfs/dbraw/zinc/16/42/18/884164218.db2.gz HUCZZQHPZGJWIB-IINYFYTJSA-N -1 3 386.498 3.923 20 0 GHADHM CCCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000036350883 884197255 /nfs/dbraw/zinc/19/72/55/884197255.db2.gz NHIQOOQYRDGNFF-UHFFFAOYSA-N -1 3 378.469 3.889 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263150134 884225535 /nfs/dbraw/zinc/22/55/35/884225535.db2.gz FHRFCYAUOKUQNU-XQHKEYJVSA-N -1 3 387.307 3.602 20 0 GHADHM O=C(OCc1c(Cl)ccc(F)c1Cl)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000806011059 884269625 /nfs/dbraw/zinc/26/96/25/884269625.db2.gz BPYPVTIFYYRVLG-LDWIPMOCSA-N -1 3 388.144 3.633 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000192554628 884280570 /nfs/dbraw/zinc/28/05/70/884280570.db2.gz SEEMJFFYUQJLSU-UHFFFAOYSA-N -1 3 378.766 3.502 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nn(C)c4ccccc34)nc(=O)c2c1C ZINC000860131754 884351404 /nfs/dbraw/zinc/35/14/04/884351404.db2.gz YUQAQAFREMLKKC-SNVBAGLBSA-N -1 3 382.445 3.818 20 0 GHADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475825690 884385188 /nfs/dbraw/zinc/38/51/88/884385188.db2.gz BPOQAAYEJWDQTD-UHFFFAOYSA-N -1 3 394.440 3.996 20 0 GHADHM O=C([O-])C[C@H](NCc1c[nH]nc1-c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000556332294 884494511 /nfs/dbraw/zinc/49/45/11/884494511.db2.gz RXPVHEDEMWYMPU-INIZCTEOSA-N -1 3 390.365 3.796 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)OC)c1 ZINC000475826894 884516342 /nfs/dbraw/zinc/51/63/42/884516342.db2.gz BRURCRWNEWJZOS-UHFFFAOYSA-N -1 3 399.827 3.659 20 0 GHADHM CSc1nc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000495099162 884521083 /nfs/dbraw/zinc/52/10/83/884521083.db2.gz PSYLIAVYKHLFTQ-QMMMGPOBSA-N -1 3 379.898 3.848 20 0 GHADHM O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210959 884633655 /nfs/dbraw/zinc/63/36/55/884633655.db2.gz LIFATVKBJPGYFX-QMMMGPOBSA-N -1 3 380.882 3.583 20 0 GHADHM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(OCc4ccccc4)cc3)ccc2N1 ZINC000071081727 884668599 /nfs/dbraw/zinc/66/85/99/884668599.db2.gz DAXCEFVDNPLEPB-UHFFFAOYSA-N -1 3 394.452 3.561 20 0 GHADHM O=C(c1c(F)ccc(SCC2CC2)c1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222640 884677400 /nfs/dbraw/zinc/67/74/00/884677400.db2.gz VOPPFSYCIDXEBJ-NSHDSACASA-N -1 3 379.432 3.525 20 0 GHADHM O=C(NCc1ccnc(Oc2ccccc2F)c1)NCc1ccc([O-])c(F)c1 ZINC000495184276 884755167 /nfs/dbraw/zinc/75/51/67/884755167.db2.gz NMPCWZGXDMEIPX-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCOc1cccc(Cl)c1Cl ZINC000747366148 885136094 /nfs/dbraw/zinc/13/60/94/885136094.db2.gz VFLMALOSGPAFBH-UHFFFAOYSA-N -1 3 384.263 3.730 20 0 GHADHM O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[N-]C(=O)c1cccs1 ZINC000914911680 885168699 /nfs/dbraw/zinc/16/86/99/885168699.db2.gz CWNJHOSNKFSLMI-UHFFFAOYSA-N -1 3 396.468 3.612 20 0 GHADHM COC(=O)c1c(Cl)cc(F)cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC001130820179 885203078 /nfs/dbraw/zinc/20/30/78/885203078.db2.gz OXNBIJDFVWCZRO-UHFFFAOYSA-N -1 3 375.743 3.568 20 0 GHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000107035356 885225250 /nfs/dbraw/zinc/22/52/50/885225250.db2.gz XIRWUJFSFRUCCB-UHFFFAOYSA-N -1 3 391.468 3.544 20 0 GHADHM O=C(COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)[N-]CC(F)(F)F ZINC000919297169 885263660 /nfs/dbraw/zinc/26/36/60/885263660.db2.gz NRTGWHJSKWBZIW-UHFFFAOYSA-N -1 3 398.086 3.848 20 0 GHADHM COCCOc1ccc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])cc1OC ZINC000666573545 885322021 /nfs/dbraw/zinc/32/20/21/885322021.db2.gz QNZUNWMETMYZSW-CYBMUJFWSA-N -1 3 391.489 3.639 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919329240 885346932 /nfs/dbraw/zinc/34/69/32/885346932.db2.gz LZOXFZOOCXAJRP-LBPRGKRZSA-N -1 3 385.445 3.884 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919329240 885346950 /nfs/dbraw/zinc/34/69/50/885346950.db2.gz LZOXFZOOCXAJRP-LBPRGKRZSA-N -1 3 385.445 3.884 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)n(-c2ccccc2)n1 ZINC000532443268 885462692 /nfs/dbraw/zinc/46/26/92/885462692.db2.gz AUGHUMXLTGCWRX-UHFFFAOYSA-N -1 3 379.807 3.558 20 0 GHADHM O=C(NCCCN1CCCCCC1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000072075510 885532803 /nfs/dbraw/zinc/53/28/03/885532803.db2.gz UYHXKQGCRSZVGR-UHFFFAOYSA-N -1 3 380.488 3.506 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000104767281 885606941 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GHADHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(SC(F)(F)F)cc1 ZINC000808328084 886260545 /nfs/dbraw/zinc/26/05/45/886260545.db2.gz KMOKLUJHYMBBRJ-JTQLQIEISA-N -1 3 379.347 3.918 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000777254755 886312425 /nfs/dbraw/zinc/31/24/25/886312425.db2.gz LPMCFPRJKVZFCS-RRFJBIMHSA-N -1 3 393.413 3.691 20 0 GHADHM CSc1nc(NC(=O)CSc2cc(C)c(Br)cc2C)n[n-]1 ZINC000499018834 886367228 /nfs/dbraw/zinc/36/72/28/886367228.db2.gz BYKAPHVUBRXDBK-UHFFFAOYSA-N -1 3 387.328 3.637 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3cc(C)ccc3Cl)nc21 ZINC000532608205 886404002 /nfs/dbraw/zinc/40/40/02/886404002.db2.gz PAKBHVNUSNSKNE-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000119197912 886472526 /nfs/dbraw/zinc/47/25/26/886472526.db2.gz YXZYUCDCKBPQNO-CQSZACIVSA-N -1 3 396.756 3.702 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc(OC)c1[O-] ZINC000762621251 886552643 /nfs/dbraw/zinc/55/26/43/886552643.db2.gz HDMCHIONIJFODC-RTBURBONSA-N -1 3 399.487 3.918 20 0 GHADHM O=c1cc(CN2CCN(c3ccc(F)cc3Cl)CC2)nc(-c2ccccc2)[n-]1 ZINC001168244484 886583030 /nfs/dbraw/zinc/58/30/30/886583030.db2.gz NZJXOBPGXRZTQV-UHFFFAOYSA-N -1 3 398.869 3.964 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)n[n-]c21 ZINC000808674614 886669826 /nfs/dbraw/zinc/66/98/26/886669826.db2.gz VLMZWIIAFYEFHP-CQSZACIVSA-N -1 3 381.432 3.681 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000808674614 886669836 /nfs/dbraw/zinc/66/98/36/886669836.db2.gz VLMZWIIAFYEFHP-CQSZACIVSA-N -1 3 381.432 3.681 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000119186443 886762814 /nfs/dbraw/zinc/76/28/14/886762814.db2.gz PNFLUYBFLZQRSZ-UHFFFAOYSA-N -1 3 380.422 3.506 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cnc2Cl)cc1 ZINC000863449458 887118585 /nfs/dbraw/zinc/11/85/85/887118585.db2.gz IWHIOUAIVUQSRU-LLVKDONJSA-N -1 3 382.869 3.836 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc([O-])c2F)Cc2ccccc2C1 ZINC000128848360 887234489 /nfs/dbraw/zinc/23/44/89/887234489.db2.gz SRNDUUJBSJXMFT-UHFFFAOYSA-N -1 3 386.423 3.532 20 0 GHADHM C[C@@H]1CC[C@@H](CC(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707483 887440947 /nfs/dbraw/zinc/44/09/47/887440947.db2.gz JBEKWSPISFTMSN-VXGBXAGGSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@@H]1CC[C@@H](CC(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707483 887440957 /nfs/dbraw/zinc/44/09/57/887440957.db2.gz JBEKWSPISFTMSN-VXGBXAGGSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@H]1CC[C@H](CC(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707482 887441475 /nfs/dbraw/zinc/44/14/75/887441475.db2.gz JBEKWSPISFTMSN-RYUDHWBXSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@H]1CC[C@H](CC(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707482 887441485 /nfs/dbraw/zinc/44/14/85/887441485.db2.gz JBEKWSPISFTMSN-RYUDHWBXSA-N -1 3 381.885 3.661 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccsc2)no1 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397.700 3.839 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000864510170 887815254 /nfs/dbraw/zinc/81/52/54/887815254.db2.gz SQEDXIJJVDJEGU-SFHVURJKSA-N -1 3 390.842 3.631 20 0 GHADHM O=C([O-])[C@@H](CCSc1ccccc1)NCc1cccnc1Br ZINC000864512946 887817948 /nfs/dbraw/zinc/81/79/48/887817948.db2.gz RPKSXQSIDXJZTG-CQSZACIVSA-N -1 3 381.295 3.569 20 0 GHADHM O=C1[N-]C(=O)/C(=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ccccc21 ZINC000794695887 887869922 /nfs/dbraw/zinc/86/99/22/887869922.db2.gz ANDBIKUXOBXGLB-RQZCQDPDSA-N -1 3 383.329 3.702 20 0 GHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc21 ZINC000134444087 887874822 /nfs/dbraw/zinc/87/48/22/887874822.db2.gz HMJIULILMPKUDF-UHFFFAOYSA-N -1 3 382.844 3.579 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1Cl ZINC000614841555 887924916 /nfs/dbraw/zinc/92/49/16/887924916.db2.gz UJHOWICYGDOELZ-UHFFFAOYSA-N -1 3 385.869 3.865 20 0 GHADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1F ZINC000794735808 887972250 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C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(SCC(F)(F)F)cc1 ZINC000866628943 888981471 /nfs/dbraw/zinc/98/14/71/888981471.db2.gz UWERNEJCYWNIIZ-NSHDSACASA-N -1 3 399.438 3.760 20 0 GHADHM O=c1[n-]c(CN[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)nc2c1COCC2 ZINC000866630272 888983997 /nfs/dbraw/zinc/98/39/97/888983997.db2.gz NOVPSWHDZPJVFE-QGZVFWFLSA-N -1 3 384.867 3.557 20 0 GHADHM O=c1[n-]c(CN[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)nc2c1COCC2 ZINC000866630271 888984225 /nfs/dbraw/zinc/98/42/25/888984225.db2.gz NOVPSWHDZPJVFE-KRWDZBQOSA-N -1 3 384.867 3.557 20 0 GHADHM CC/C(=C/C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000810905163 889011573 /nfs/dbraw/zinc/01/15/73/889011573.db2.gz OGAVCUXNBRHDTI-CNYBTUBUSA-N -1 3 382.426 3.706 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1Cl ZINC000763375245 889058263 /nfs/dbraw/zinc/05/82/63/889058263.db2.gz JVIUJEKYXUOHBV-NSHDSACASA-N -1 3 395.695 3.708 20 0 GHADHM CCS[C@H](C)c1noc(CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000121655982 889075097 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3.775 20 0 GHADHM COC(=O)c1cc2c(cc1F)NC(=O)/C2=C\c1cc([O-])cc(C(F)(F)F)c1 ZINC000811693129 889901169 /nfs/dbraw/zinc/90/11/69/889901169.db2.gz FTRZONKRZZTTJR-QCDXTXTGSA-N -1 3 381.281 3.829 20 0 GHADHM COCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)sc2cccc(F)c21 ZINC000125245747 889922780 /nfs/dbraw/zinc/92/27/80/889922780.db2.gz XMJIJFYQROERHP-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM COCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)sc2cccc(F)c21 ZINC000125245747 889922789 /nfs/dbraw/zinc/92/27/89/889922789.db2.gz XMJIJFYQROERHP-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM CCOC(=O)c1ccc2nc(NC(=O)c3c[n-]c4ccccc4c3=O)sc2c1 ZINC001133052121 890048551 /nfs/dbraw/zinc/04/85/51/890048551.db2.gz CVNPANPTDPWTKG-UHFFFAOYSA-N -1 3 393.424 3.567 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000125599775 890049621 /nfs/dbraw/zinc/04/96/21/890049621.db2.gz RHPLIZVHICHQLC-GFCCVEGCSA-N -1 3 379.913 3.851 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000125599576 890049884 /nfs/dbraw/zinc/04/98/84/890049884.db2.gz RHPLIZVHICHQLC-LBPRGKRZSA-N -1 3 379.913 3.851 20 0 GHADHM CCCC[C@H](CCC)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811890877 890091716 /nfs/dbraw/zinc/09/17/16/890091716.db2.gz FTHCJMCXYOTUDL-GJZGRUSLSA-N -1 3 379.467 3.693 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2n(C)c1=O ZINC000644647744 913427894 /nfs/dbraw/zinc/42/78/94/913427894.db2.gz PCHBGAICBFFAPX-UHFFFAOYSA-N -1 3 397.450 3.562 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000033101960 890307889 /nfs/dbraw/zinc/30/78/89/890307889.db2.gz ZKQUDXPJQPGVRT-DZGCQCFKSA-N -1 3 384.517 3.553 20 0 GHADHM COc1cccc(C2(NC(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000126296365 890462252 /nfs/dbraw/zinc/46/22/52/890462252.db2.gz ACLACTUSKKJTSM-UHFFFAOYSA-N -1 3 391.265 3.652 20 0 GHADHM CC(C)(C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000812274909 890493472 /nfs/dbraw/zinc/49/34/72/890493472.db2.gz LYUOLEADMVEKLN-LBPRGKRZSA-N -1 3 390.833 3.535 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000126453970 890543893 /nfs/dbraw/zinc/54/38/93/890543893.db2.gz MDOBDVLGIMHINT-APWZRJJASA-N -1 3 385.512 3.885 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000126453970 890543899 /nfs/dbraw/zinc/54/38/99/890543899.db2.gz MDOBDVLGIMHINT-APWZRJJASA-N -1 3 385.512 3.885 20 0 GHADHM CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000126551735 890589287 /nfs/dbraw/zinc/58/92/87/890589287.db2.gz OZMJDESFIMCSLA-UHFFFAOYSA-N -1 3 381.473 3.511 20 0 GHADHM CSCC(C)(C)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316780 890751257 /nfs/dbraw/zinc/75/12/57/890751257.db2.gz YREYEKOVWHEKQS-GFCCVEGCSA-N -1 3 388.455 3.575 20 0 GHADHM CN(Cc1cccc(O)c1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127186616 890944177 /nfs/dbraw/zinc/94/41/77/890944177.db2.gz JJVPAIMIXFGPHF-UHFFFAOYSA-N -1 3 382.485 3.825 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000066585880 890994636 /nfs/dbraw/zinc/99/46/36/890994636.db2.gz LHSCEVGBBYBTKQ-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000123813790 891039420 /nfs/dbraw/zinc/03/94/20/891039420.db2.gz DZAYTBDBNQRTED-BMIGLBTASA-N -1 3 392.279 3.923 20 0 GHADHM COc1c(F)cccc1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000872003957 891105676 /nfs/dbraw/zinc/10/56/76/891105676.db2.gz DTLWXLBYUKSDIV-UHFFFAOYSA-N -1 3 378.469 3.539 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([O-])c1F ZINC000872027157 891124362 /nfs/dbraw/zinc/12/43/62/891124362.db2.gz ICMWQMYVKVAZEG-BZUAXINKSA-N -1 3 386.467 3.632 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c([O-])c1 ZINC000067068890 891179405 /nfs/dbraw/zinc/17/94/05/891179405.db2.gz NYAFBNBVOVSQMQ-UHFFFAOYSA-N -1 3 381.476 3.686 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1NC(=O)c1ccncc1 ZINC000067124305 891200535 /nfs/dbraw/zinc/20/05/35/891200535.db2.gz DPONDNVVJFYDNW-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCOCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825589206 891209691 /nfs/dbraw/zinc/20/96/91/891209691.db2.gz BOKLVSYZAYGJRV-HNNXBMFYSA-N -1 3 379.464 3.528 20 0 GHADHM CCOCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825589206 891209707 /nfs/dbraw/zinc/20/97/07/891209707.db2.gz BOKLVSYZAYGJRV-HNNXBMFYSA-N -1 3 379.464 3.528 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000747835843 891249227 /nfs/dbraw/zinc/24/92/27/891249227.db2.gz OLIILJGEXUFSEM-UHFFFAOYSA-N -1 3 394.446 3.618 20 0 GHADHM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000872459087 891265054 /nfs/dbraw/zinc/26/50/54/891265054.db2.gz QHHGPKSGNCUEBS-HWRSSNJWSA-N -1 3 395.550 3.540 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1CCCCN1Cc1ccccc1 ZINC000783806151 891300252 /nfs/dbraw/zinc/30/02/52/891300252.db2.gz DFTYMFJZOJCHOY-GOSISDBHSA-N -1 3 393.443 3.540 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@H](c1c[nH]c2ccc(C)cc21)C(F)(F)F ZINC001184929965 913543950 /nfs/dbraw/zinc/54/39/50/913543950.db2.gz VHNLICXCZFOHJI-ZDUSSCGKSA-N -1 3 394.353 3.661 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@H](c1c[nH]c2ccc(C)cc21)C(F)(F)F ZINC001184929965 913543955 /nfs/dbraw/zinc/54/39/55/913543955.db2.gz VHNLICXCZFOHJI-ZDUSSCGKSA-N -1 3 394.353 3.661 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)CCC2 ZINC001212024076 891353500 /nfs/dbraw/zinc/35/35/00/891353500.db2.gz YZUIEJFIPXWLHP-HOYKHHGWSA-N -1 3 384.567 3.637 20 0 GHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C2CC2)no1 ZINC000644951942 913562217 /nfs/dbraw/zinc/56/22/17/913562217.db2.gz WOUTVCYOHVSOOQ-MRXNPFEDSA-N -1 3 397.909 3.850 20 0 GHADHM O=C(COc1ccc(Cl)cc1C1CCCCC1)NCCCc1cc(=O)[nH][n-]1 ZINC000614921744 891597286 /nfs/dbraw/zinc/59/72/86/891597286.db2.gz KDOBPZXJDCJJSN-UHFFFAOYSA-N -1 3 391.899 3.539 20 0 GHADHM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000161680809 891785363 /nfs/dbraw/zinc/78/53/63/891785363.db2.gz VKSVYHVHDJNHEX-QGZVFWFLSA-N -1 3 387.549 3.623 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCCC(F)(F)C3)cc21 ZINC000813712948 891889880 /nfs/dbraw/zinc/88/98/80/891889880.db2.gz RTCYSRFOIKYZJU-LLVKDONJSA-N -1 3 391.867 3.963 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1c2ncsc2ccc1Cl ZINC001185056789 913602945 /nfs/dbraw/zinc/60/29/45/913602945.db2.gz DNZZHILSDMEFSB-UHFFFAOYSA-N -1 3 378.906 3.960 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3ccc(F)c(F)c3)s2)c2ccccc21 ZINC000874019972 891936736 /nfs/dbraw/zinc/93/67/36/891936736.db2.gz FPWKPYVNBXGERT-GDNBJRDFSA-N -1 3 397.406 3.735 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3cc(F)cc(F)c3)s2)c2ccccc21 ZINC000874024312 891945023 /nfs/dbraw/zinc/94/50/23/891945023.db2.gz HHQANGVEVAPKDR-LICLKQGHSA-N -1 3 397.406 3.735 20 0 GHADHM COC(=O)c1ccc(-c2nc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)no2)[n-]1 ZINC000813890710 892074141 /nfs/dbraw/zinc/07/41/41/892074141.db2.gz SACPWKAYGHHXJD-UHFFFAOYSA-N -1 3 398.419 3.789 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000874401722 892117296 /nfs/dbraw/zinc/11/72/96/892117296.db2.gz PARXZHIUMOMVPP-NRFANRHFSA-N -1 3 397.519 3.685 20 0 GHADHM Cc1nc(C)c(CC(=O)OC(c2ccccc2F)c2ccccc2F)c(=O)[n-]1 ZINC000125054153 892205536 /nfs/dbraw/zinc/20/55/36/892205536.db2.gz RICUXHKQPCFBSR-UHFFFAOYSA-N -1 3 384.382 3.540 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000128631043 892214382 /nfs/dbraw/zinc/21/43/82/892214382.db2.gz HFCQVSCZYWCGMM-UHFFFAOYSA-N -1 3 394.402 3.973 20 0 GHADHM O=C([O-])CNC(=O)CN(Cc1ccc(-c2ccccc2)s1)C1CCCCC1 ZINC000262295349 892256892 /nfs/dbraw/zinc/25/68/92/892256892.db2.gz ZQAIMAWOVNBMEP-UHFFFAOYSA-N -1 3 386.517 3.751 20 0 GHADHM O=C1[N-]C(=O)/C(=C/NCc2cccc(COc3ccccc3)c2)c2ccccc21 ZINC000917606334 892276909 /nfs/dbraw/zinc/27/69/09/892276909.db2.gz LSFGPAZIUYNKRI-PXLXIMEGSA-N -1 3 384.435 3.666 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc3C2)c1Cl ZINC000917650828 892344430 /nfs/dbraw/zinc/34/44/30/892344430.db2.gz MAOMYZUAKVJHBS-LBPRGKRZSA-N -1 3 386.300 3.831 20 0 GHADHM CCOC(=O)CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000917653400 892381700 /nfs/dbraw/zinc/38/17/00/892381700.db2.gz KNOFLLLQGVTDDP-UHFFFAOYSA-N -1 3 382.309 3.785 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000917743592 892491202 /nfs/dbraw/zinc/49/12/02/892491202.db2.gz BHKKMKCKSPDAQF-UHFFFAOYSA-N -1 3 378.450 3.681 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2s1)c1cccnc1C(F)(F)F ZINC000645092893 913669318 /nfs/dbraw/zinc/66/93/18/913669318.db2.gz ULIKRDJBMOTCGW-UHFFFAOYSA-N -1 3 386.420 3.836 20 0 GHADHM Cc1ccc(Cc2cnc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)s2)cc1C ZINC000497824439 892510265 /nfs/dbraw/zinc/51/02/65/892510265.db2.gz ZOVVYZPMHGQQEI-UHFFFAOYSA-N -1 3 390.486 3.600 20 0 GHADHM C[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000875391028 892586553 /nfs/dbraw/zinc/58/65/53/892586553.db2.gz LTTDHTRVXVNXOK-CYBMUJFWSA-N -1 3 381.192 3.639 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c(=O)[n-]1 ZINC000428606986 892662334 /nfs/dbraw/zinc/66/23/34/892662334.db2.gz MHHRHMUGCCDGQW-UHFFFAOYSA-N -1 3 384.823 3.821 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1c(C)noc1C ZINC000128927144 892699708 /nfs/dbraw/zinc/69/97/08/892699708.db2.gz AWBQXYXRCAFVRU-ZDUSSCGKSA-N -1 3 382.258 3.710 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)cc1OC ZINC000129024723 892890830 /nfs/dbraw/zinc/89/08/30/892890830.db2.gz FGJVSPXQKCWABR-UHFFFAOYSA-N -1 3 391.399 3.677 20 0 GHADHM CC(C)c1coc([N-]C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)n1 ZINC000875985993 892893603 /nfs/dbraw/zinc/89/36/03/892893603.db2.gz OHQVYUFQHQRKAO-UHFFFAOYSA-N -1 3 384.404 3.512 20 0 GHADHM O=C1C[C@@H](NCc2cccc([O-])c2Cl)CN1Cc1ccccc1C(F)(F)F ZINC000645171819 913724602 /nfs/dbraw/zinc/72/46/02/913724602.db2.gz DSAATFPKAVLFPL-CQSZACIVSA-N -1 3 398.812 3.955 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000069090319 893141410 /nfs/dbraw/zinc/14/14/10/893141410.db2.gz SCICFOMUAQCHDT-OAHLLOKOSA-N -1 3 391.295 3.714 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)C[C@H]3CC=CCC3)[n-]c2c(Br)c1 ZINC001134789183 893304480 /nfs/dbraw/zinc/30/44/80/893304480.db2.gz PMERHSMTKGZSHH-JTQLQIEISA-N -1 3 392.253 3.797 20 0 GHADHM O=S(=O)([N-]c1nc2ccccc2[nH]1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000126377964 893519682 /nfs/dbraw/zinc/51/96/82/893519682.db2.gz IAYPEXADDRHGMF-UHFFFAOYSA-N -1 3 391.399 3.893 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cn1 ZINC000536699261 893572022 /nfs/dbraw/zinc/57/20/22/893572022.db2.gz ZYOGJMIVTVVVEE-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM COC(=O)[C@H](NCc1cccc([O-])c1Br)c1ccc(C)c(C)c1 ZINC000459496393 893624661 /nfs/dbraw/zinc/62/46/61/893624661.db2.gz HECFOUXJOFFAHB-QGZVFWFLSA-N -1 3 378.266 3.775 20 0 GHADHM CO[C@@H](C)c1nc(CN=c2ncc3scc(Br)c3[n-]2)cs1 ZINC000563427777 893718254 /nfs/dbraw/zinc/71/82/54/893718254.db2.gz TZPPEVAGYXYMSM-ZETCQYMHSA-N -1 3 385.312 3.652 20 0 GHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1)N1CCOCC1 ZINC000288634689 913825501 /nfs/dbraw/zinc/82/55/01/913825501.db2.gz SBZZVBYNBRWFDG-AWEZNQCLSA-N -1 3 396.459 3.818 20 0 GHADHM CCOC(=O)CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H](C)c1ccccc1 ZINC000878298111 894174051 /nfs/dbraw/zinc/17/40/51/894174051.db2.gz GKUZFXIQSQXYOQ-HNNXBMFYSA-N -1 3 381.432 3.569 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)[n-]1 ZINC000815775170 894212506 /nfs/dbraw/zinc/21/25/06/894212506.db2.gz XHFSSVFPLNGXLB-HXUWFJFHSA-N -1 3 378.428 3.720 20 0 GHADHM O=C([N-]OC1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000774864389 913848410 /nfs/dbraw/zinc/84/84/10/913848410.db2.gz FAHXVOSACHOJDL-CYBMUJFWSA-N -1 3 385.291 3.836 20 0 GHADHM Cc1cc(CC(C)(C)C(=O)[N-]OCc2cccnc2)ccc1Br ZINC000815849852 894272807 /nfs/dbraw/zinc/27/28/07/894272807.db2.gz OWJUGIQBYJQHPY-UHFFFAOYSA-N -1 3 377.282 3.969 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC3(CC2)OCCc2ccccc23)o1 ZINC000878695656 894517539 /nfs/dbraw/zinc/51/75/39/894517539.db2.gz NQUJCYGGXQPGBV-UHFFFAOYSA-N -1 3 377.444 3.506 20 0 GHADHM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000537196050 894520878 /nfs/dbraw/zinc/52/08/78/894520878.db2.gz OXAFICNQKHEUCY-UHFFFAOYSA-N -1 3 395.440 3.541 20 0 GHADHM Cc1c(Cl)cc2c(c1Cl)CCCN2Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878712667 894528487 /nfs/dbraw/zinc/52/84/87/894528487.db2.gz DPQPOSUAHJYGAE-UHFFFAOYSA-N -1 3 380.275 3.823 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnn(C4CC4)c3)cc2)cc1 ZINC001135435985 894581759 /nfs/dbraw/zinc/58/17/59/894581759.db2.gz VBQFAROYZLKLQI-UHFFFAOYSA-N -1 3 396.472 3.580 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)o1 ZINC000878802868 894630662 /nfs/dbraw/zinc/63/06/62/894630662.db2.gz SNEUVCQLSNSFBT-HXUWFJFHSA-N -1 3 385.851 3.579 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cncc(-c3ccsc3)c2)cc1 ZINC000816255489 894674837 /nfs/dbraw/zinc/67/48/37/894674837.db2.gz XSPSWYXYMCJWOH-UHFFFAOYSA-N -1 3 388.470 3.539 20 0 GHADHM CCc1ccc([C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C(C)C)cc1 ZINC000645443088 913900774 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O=C(c1nnc2ccccc2c1[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000816870059 895144918 /nfs/dbraw/zinc/14/49/18/895144918.db2.gz LYKGUBKKYWLUCQ-UHFFFAOYSA-N -1 3 387.361 3.669 20 0 GHADHM COc1ccc([C@@H]2COCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000879735959 895261980 /nfs/dbraw/zinc/26/19/80/895261980.db2.gz FKMNDSAQEILQPT-KRWDZBQOSA-N -1 3 391.427 3.664 20 0 GHADHM COCCCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826156640 895656745 /nfs/dbraw/zinc/65/67/45/895656745.db2.gz NFVBRXQCKHYSNK-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM COCCCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826156640 895656753 /nfs/dbraw/zinc/65/67/53/895656753.db2.gz NFVBRXQCKHYSNK-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM COCc1cc(N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000826164324 895724954 /nfs/dbraw/zinc/72/49/54/895724954.db2.gz RAUBZJCLEYMPKU-CQSZACIVSA-N -1 3 387.447 3.643 20 0 GHADHM COCc1cc(N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000826164324 895724968 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ZINC000826228221 896533616 /nfs/dbraw/zinc/53/36/16/896533616.db2.gz ITLDUZCHCFRCQX-UONOGXRCSA-N -1 3 396.520 3.645 20 0 GHADHM CSC[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228221 896533628 /nfs/dbraw/zinc/53/36/28/896533628.db2.gz ITLDUZCHCFRCQX-UONOGXRCSA-N -1 3 396.520 3.645 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(-c3ccccn3)c2)c1-c1nnn[n-]1 ZINC000826240078 896593963 /nfs/dbraw/zinc/59/39/63/896593963.db2.gz AUHRKAPBCJECIT-UHFFFAOYSA-N -1 3 377.839 3.898 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(-c3ccccn3)c2)c1-c1nn[n-]n1 ZINC000826240078 896593978 /nfs/dbraw/zinc/59/39/78/896593978.db2.gz AUHRKAPBCJECIT-UHFFFAOYSA-N -1 3 377.839 3.898 20 0 GHADHM COc1cc(C(=O)N(C)Cc2cscc2Br)cc(OC)c1[O-] ZINC000881979614 896597424 /nfs/dbraw/zinc/59/74/24/896597424.db2.gz VEDOZFDCHWODQV-UHFFFAOYSA-N -1 3 386.267 3.506 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000826278898 896866667 /nfs/dbraw/zinc/86/66/67/896866667.db2.gz XUWXFFKZAYLPFD-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000826278898 896866681 /nfs/dbraw/zinc/86/66/81/896866681.db2.gz XUWXFFKZAYLPFD-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c(C)c1 ZINC000826282385 896867819 /nfs/dbraw/zinc/86/78/19/896867819.db2.gz MFXVMFLDSQCUNY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c(C)c1 ZINC000826282385 896867833 /nfs/dbraw/zinc/86/78/33/896867833.db2.gz MFXVMFLDSQCUNY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826283803 896878586 /nfs/dbraw/zinc/87/85/86/896878586.db2.gz AXXHRRAHYPLSLQ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000820009813 897083469 /nfs/dbraw/zinc/08/34/69/897083469.db2.gz TTWPLJPJAQGSOK-CRAIPNDOSA-N -1 3 379.485 3.873 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1CSC1=NCCS1 ZINC000820218616 897246485 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3 383.370 3.859 20 0 GHADHM Cc1nc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(-c2ccccc2)s1 ZINC000826323440 897592195 /nfs/dbraw/zinc/59/21/95/897592195.db2.gz DPSKJYDYLZSYMV-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(-c2ccccc2)s1 ZINC000826323440 897592211 /nfs/dbraw/zinc/59/22/11/897592211.db2.gz DPSKJYDYLZSYMV-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM CC[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820989109 897656251 /nfs/dbraw/zinc/65/62/51/897656251.db2.gz MCKVIMGROQCRSI-KRWDZBQOSA-N -1 3 387.447 3.648 20 0 GHADHM CC[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820989109 897656262 /nfs/dbraw/zinc/65/62/62/897656262.db2.gz MCKVIMGROQCRSI-KRWDZBQOSA-N -1 3 387.447 3.648 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C1 ZINC000132095996 897665365 /nfs/dbraw/zinc/66/53/65/897665365.db2.gz CCBCGOIMFTXSLD-WCBMZHEXSA-N -1 3 382.707 3.578 20 0 GHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000821158109 897767321 /nfs/dbraw/zinc/76/73/21/897767321.db2.gz UZULUJXUVRYKHT-HUUCEWRRSA-N -1 3 390.480 3.883 20 0 GHADHM O=C([N-]c1cc(-c2ccc(Br)o2)ncn1)c1cc(C2CC2)no1 ZINC000821629180 897978283 /nfs/dbraw/zinc/97/82/83/897978283.db2.gz BGQMRQOTNDGUPI-UHFFFAOYSA-N -1 3 375.182 3.617 20 0 GHADHM C=C/C=C\CCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000883830468 898011126 /nfs/dbraw/zinc/01/11/26/898011126.db2.gz LUVDLEKHJIYLEX-VQTKUKTRSA-N -1 3 381.398 3.501 20 0 GHADHM Clc1ccccc1CCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353622 898032755 /nfs/dbraw/zinc/03/27/55/898032755.db2.gz XFEYSQXEFDLMBY-LJQANCHMSA-N -1 3 383.883 3.526 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H](C)C2CC2)cc1 ZINC000821702172 898036307 /nfs/dbraw/zinc/03/63/07/898036307.db2.gz KIVGOVJMEMCCCL-GFCCVEGCSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H](C)C2CC2)cc1 ZINC000821702172 898036319 /nfs/dbraw/zinc/03/63/19/898036319.db2.gz KIVGOVJMEMCCCL-GFCCVEGCSA-N -1 3 379.420 3.652 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000821777206 898070787 /nfs/dbraw/zinc/07/07/87/898070787.db2.gz CBQORGKAMVEWKU-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000821777206 898070800 /nfs/dbraw/zinc/07/08/00/898070800.db2.gz CBQORGKAMVEWKU-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1coc(SC)c1 ZINC001170974558 898173056 /nfs/dbraw/zinc/17/30/56/898173056.db2.gz NOQCWFKYQMPPET-UHFFFAOYSA-N -1 3 386.433 3.546 20 0 GHADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000568893453 898194857 /nfs/dbraw/zinc/19/48/57/898194857.db2.gz LMNDEAKUWPNKRQ-UHFFFAOYSA-N -1 3 391.254 3.782 20 0 GHADHM Cc1nc(-c2ccc(CCNC=C3C(=O)[N-]C(=O)c4ccccc43)s2)cs1 ZINC000029185713 898198177 /nfs/dbraw/zinc/19/81/77/898198177.db2.gz SLSWMFOJHFNJIM-MHWRWJLKSA-N -1 3 395.509 3.623 20 0 GHADHM FC(F)(F)c1ccnc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826368868 898203862 /nfs/dbraw/zinc/20/38/62/898203862.db2.gz DIJAGTXNJWXOEG-UHFFFAOYSA-N -1 3 392.288 3.846 20 0 GHADHM FC(F)(F)c1ccnc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826368868 898203877 /nfs/dbraw/zinc/20/38/77/898203877.db2.gz DIJAGTXNJWXOEG-UHFFFAOYSA-N -1 3 392.288 3.846 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)C1CC1 ZINC000822205942 898254191 /nfs/dbraw/zinc/25/41/91/898254191.db2.gz ODWKNBAHXYTKHI-CQSZACIVSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)C1CC1 ZINC000822205942 898254205 /nfs/dbraw/zinc/25/42/05/898254205.db2.gz ODWKNBAHXYTKHI-CQSZACIVSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)[C@@H](C)CO2)c1 ZINC000822232041 898261218 /nfs/dbraw/zinc/26/12/18/898261218.db2.gz RLXLMQLIIGBTIG-YWZLYKJASA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)[C@@H](C)CO2)c1 ZINC000822232041 898261234 /nfs/dbraw/zinc/26/12/34/898261234.db2.gz RLXLMQLIIGBTIG-YWZLYKJASA-N -1 3 381.455 3.585 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822418843 898361129 /nfs/dbraw/zinc/36/11/29/898361129.db2.gz GTIRGNPCQSWIMV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822418843 898361138 /nfs/dbraw/zinc/36/11/38/898361138.db2.gz GTIRGNPCQSWIMV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CCc1ccccc1-n1cnnc1SCC(=O)Nc1c([O-])cccc1Cl ZINC000569173681 898389746 /nfs/dbraw/zinc/38/97/46/898389746.db2.gz ASHFDCFNXXNTHY-UHFFFAOYSA-N -1 3 388.880 3.920 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2ncsc2C(F)(F)F)nc1C1CC1 ZINC000282881245 898508520 /nfs/dbraw/zinc/50/85/20/898508520.db2.gz RGCADDRVEXDQFB-UHFFFAOYSA-N -1 3 377.369 3.535 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001136637685 898674111 /nfs/dbraw/zinc/67/41/11/898674111.db2.gz ZEEBJUODZIRWCI-UHFFFAOYSA-N -1 3 398.459 3.734 20 0 GHADHM Cc1cc(Br)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1Cl ZINC000569955945 899042088 /nfs/dbraw/zinc/04/20/88/899042088.db2.gz GVTLLCWJVITCKE-CYBMUJFWSA-N -1 3 384.661 3.660 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823557914 899111612 /nfs/dbraw/zinc/11/16/12/899111612.db2.gz VQGOOSPWIISOOL-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001136800810 899312641 /nfs/dbraw/zinc/31/26/41/899312641.db2.gz GDDORRYXOHHPTA-MUUNZHRXSA-N -1 3 393.468 3.620 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)s1 ZINC001136798005 899321173 /nfs/dbraw/zinc/32/11/73/899321173.db2.gz YAWMBULTEBYGKX-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H](C)C1 ZINC001136799575 899325783 /nfs/dbraw/zinc/32/57/83/899325783.db2.gz VDXARUGOQIHASK-HFAKWTLXSA-N -1 3 377.282 3.845 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000824119338 899392450 /nfs/dbraw/zinc/39/24/50/899392450.db2.gz FUWCZTGHHOGXHI-UHFFFAOYSA-N -1 3 399.405 3.582 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1F ZINC000824119338 899392466 /nfs/dbraw/zinc/39/24/66/899392466.db2.gz FUWCZTGHHOGXHI-UHFFFAOYSA-N -1 3 399.405 3.582 20 0 GHADHM CC(C)(CO)[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccccc1 ZINC000824162462 899435668 /nfs/dbraw/zinc/43/56/68/899435668.db2.gz IQDXGYQOYYLVCK-GOSISDBHSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccccc1 ZINC000824162462 899435676 /nfs/dbraw/zinc/43/56/76/899435676.db2.gz IQDXGYQOYYLVCK-GOSISDBHSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccccc1 ZINC000824162463 899437223 /nfs/dbraw/zinc/43/72/23/899437223.db2.gz IQDXGYQOYYLVCK-SFHVURJKSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccccc1 ZINC000824162463 899437228 /nfs/dbraw/zinc/43/72/28/899437228.db2.gz IQDXGYQOYYLVCK-SFHVURJKSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824319366 899526239 /nfs/dbraw/zinc/52/62/39/899526239.db2.gz NKLQFMOIHVUGSA-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824319366 899526251 /nfs/dbraw/zinc/52/62/51/899526251.db2.gz NKLQFMOIHVUGSA-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM Cc1cc(C(=O)CCC(=O)Nc2cncc([O-])c2)c(C)cc1Br ZINC001186198876 914357023 /nfs/dbraw/zinc/35/70/23/914357023.db2.gz ZEXUDNVYIIQBSV-UHFFFAOYSA-N -1 3 377.238 3.768 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824393236 899580262 /nfs/dbraw/zinc/58/02/62/899580262.db2.gz QYPLFYLHOUIWTG-TVQRCGJNSA-N -1 3 394.298 3.615 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824393236 899580274 /nfs/dbraw/zinc/58/02/74/899580274.db2.gz QYPLFYLHOUIWTG-TVQRCGJNSA-N -1 3 394.298 3.615 20 0 GHADHM C[C@H](NC(=O)c1cccc(F)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824522994 899658215 /nfs/dbraw/zinc/65/82/15/899658215.db2.gz XHSPFWJKNOPDNU-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1cccc(F)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522994 899658224 /nfs/dbraw/zinc/65/82/24/899658224.db2.gz XHSPFWJKNOPDNU-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM Cc1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186225919 914371160 /nfs/dbraw/zinc/37/11/60/914371160.db2.gz JZJRIMMDJZZICC-UHFFFAOYSA-N -1 3 375.262 3.502 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000824867968 899876917 /nfs/dbraw/zinc/87/69/17/899876917.db2.gz RRQLUVWVNIKKRX-DGCLKSJQSA-N -1 3 387.509 3.531 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000824867968 899876924 /nfs/dbraw/zinc/87/69/24/899876924.db2.gz RRQLUVWVNIKKRX-DGCLKSJQSA-N -1 3 387.509 3.531 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000333013314 899891572 /nfs/dbraw/zinc/89/15/72/899891572.db2.gz BPBROIHJVLCCLB-RCCFBDPRSA-N -1 3 384.520 3.720 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824946975 899900954 /nfs/dbraw/zinc/90/09/54/899900954.db2.gz LQGDOLPOHANXPH-LSDHHAIUSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824946975 899900963 /nfs/dbraw/zinc/90/09/63/899900963.db2.gz LQGDOLPOHANXPH-LSDHHAIUSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824946966 899901031 /nfs/dbraw/zinc/90/10/31/899901031.db2.gz LQGDOLPOHANXPH-CABCVRRESA-N -1 3 376.464 3.646 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824946966 899901036 /nfs/dbraw/zinc/90/10/36/899901036.db2.gz LQGDOLPOHANXPH-CABCVRRESA-N -1 3 376.464 3.646 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@@H]2CCCC[C@@H]21 ZINC000824977932 899923694 /nfs/dbraw/zinc/92/36/94/899923694.db2.gz SYEIXGLKGMJRAE-MPKXVKKWSA-N -1 3 392.410 3.511 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@@H]2CCCC[C@@H]21 ZINC000824977932 899923700 /nfs/dbraw/zinc/92/37/00/899923700.db2.gz SYEIXGLKGMJRAE-MPKXVKKWSA-N -1 3 392.410 3.511 20 0 GHADHM CC=C(C=CC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)CC ZINC000825028974 899942984 /nfs/dbraw/zinc/94/29/84/899942984.db2.gz LHTXGMBGWLWDDN-NBKHWYKPSA-N -1 3 383.843 3.557 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c1 ZINC000571949402 900016642 /nfs/dbraw/zinc/01/66/42/900016642.db2.gz LCZKUJBYXUJTHU-PMACEKPBSA-N -1 3 382.460 3.669 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(F)cc1F ZINC001137002885 900041244 /nfs/dbraw/zinc/04/12/44/900041244.db2.gz WUHOLEFOHDZBAM-VIFPVBQESA-N -1 3 378.325 3.618 20 0 GHADHM O=C(CCSc1cccc(Cl)c1-c1nnn[n-]1)Nc1cc(F)cc(F)c1 ZINC000826407835 900067781 /nfs/dbraw/zinc/06/77/81/900067781.db2.gz DAVHQFPJCIOSHU-UHFFFAOYSA-N -1 3 395.822 3.919 20 0 GHADHM O=C(CCSc1cccc(Cl)c1-c1nn[n-]n1)Nc1cc(F)cc(F)c1 ZINC000826407835 900067787 /nfs/dbraw/zinc/06/77/87/900067787.db2.gz DAVHQFPJCIOSHU-UHFFFAOYSA-N -1 3 395.822 3.919 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H](OC1CCCC1)c1ccccc1 ZINC000825297789 900076871 /nfs/dbraw/zinc/07/68/71/900076871.db2.gz FLYVTINDYUGWQJ-HXUWFJFHSA-N -1 3 381.476 3.766 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(F)c1Br ZINC000572622004 900237318 /nfs/dbraw/zinc/23/73/18/900237318.db2.gz FECGXEHHFGTJRO-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(F)c1Br ZINC000572622004 900237328 /nfs/dbraw/zinc/23/73/28/900237328.db2.gz FECGXEHHFGTJRO-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCCOCC4)n3)n[n-]2)c1 ZINC000572762148 900269964 /nfs/dbraw/zinc/26/99/64/900269964.db2.gz FDPUMPVNCWGDMV-JTQLQIEISA-N -1 3 390.241 3.568 20 0 GHADHM CN(C)c1nc(C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC000572981104 900327768 /nfs/dbraw/zinc/32/77/68/900327768.db2.gz LENFMUBHAPZEQE-OAHLLOKOSA-N -1 3 394.397 3.634 20 0 GHADHM CCCCNC(=O)C1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCCCC1 ZINC001186324053 914436309 /nfs/dbraw/zinc/43/63/09/914436309.db2.gz QWOYDICAYNVTMU-UHFFFAOYSA-N -1 3 392.974 3.607 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(CO)(C(F)(F)F)CC1 ZINC000885003445 900370012 /nfs/dbraw/zinc/37/00/12/900370012.db2.gz WFSOWWOASLKLEE-UHFFFAOYSA-N -1 3 395.377 3.962 20 0 GHADHM Nc1nc([N-]c2ccn(C3CCCCC3)n2)nc(C(F)(F)C(F)(F)F)n1 ZINC001186295417 914446207 /nfs/dbraw/zinc/44/62/07/914446207.db2.gz RQQDJCPWPUXULN-UHFFFAOYSA-N -1 3 377.321 3.553 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCCCC2)ccc1F ZINC000045925292 900532946 /nfs/dbraw/zinc/53/29/46/900532946.db2.gz MBEATTLAFYHUDR-UHFFFAOYSA-N -1 3 396.528 3.840 20 0 GHADHM COc1ccc2c(CN3CCC(c4ccccc4C(=O)[O-])CC3)cc(=O)oc2c1 ZINC000844241019 900636804 /nfs/dbraw/zinc/63/68/04/900636804.db2.gz VIVSOTFZRWWSIC-UHFFFAOYSA-N -1 3 393.439 3.879 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc2cc[nH]c2n1 ZINC000826455684 900647123 /nfs/dbraw/zinc/64/71/23/900647123.db2.gz ZHFBDWYLFOISSL-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc2cc[nH]c2n1 ZINC000826455684 900647130 /nfs/dbraw/zinc/64/71/30/900647130.db2.gz ZHFBDWYLFOISSL-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccnc(C2CC2)c1 ZINC000826460176 900670897 /nfs/dbraw/zinc/67/08/97/900670897.db2.gz QATIHGKVKJRYDE-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccnc(C2CC2)c1 ZINC000826460176 900670905 /nfs/dbraw/zinc/67/09/05/900670905.db2.gz QATIHGKVKJRYDE-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM Cc1c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cccc1C(F)(F)F ZINC001143929285 900740624 /nfs/dbraw/zinc/74/06/24/900740624.db2.gz HAZWVXSEYRLIOZ-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](c3ccccc3C)C(C)C)no2)c(C)o1 ZINC000574676909 900966998 /nfs/dbraw/zinc/96/69/98/900966998.db2.gz RRAWETGRPOITEV-QGZVFWFLSA-N -1 3 389.477 3.642 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(Oc2ccncc2)c(C)c1 ZINC000844660072 901122656 /nfs/dbraw/zinc/12/26/56/901122656.db2.gz CITXEFAMBVTADM-GOSISDBHSA-N -1 3 392.477 3.656 20 0 GHADHM O=C([N-]CC1CCN(C(=O)Nc2ccc3c(c2)CCCCC3)CC1)C(F)(F)F ZINC000844806132 901301976 /nfs/dbraw/zinc/30/19/76/901301976.db2.gz KMCULBDRJFIZHB-UHFFFAOYSA-N -1 3 397.441 3.878 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCCC3)C1)C(F)(F)F ZINC000844811864 901312507 /nfs/dbraw/zinc/31/25/07/901312507.db2.gz VZFKQJRGKATBND-CQSZACIVSA-N -1 3 397.441 3.878 20 0 GHADHM c1ccc2c(c1)cccc2Cc1nnc(NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826516563 901382779 /nfs/dbraw/zinc/38/27/79/901382779.db2.gz PSPPYLFRWBVXNS-UHFFFAOYSA-N -1 3 383.415 3.606 20 0 GHADHM c1ccc2c(c1)cccc2Cc1nnc(NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826516563 901382790 /nfs/dbraw/zinc/38/27/90/901382790.db2.gz PSPPYLFRWBVXNS-UHFFFAOYSA-N -1 3 383.415 3.606 20 0 GHADHM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(C)C ZINC001137234281 901393071 /nfs/dbraw/zinc/39/30/71/901393071.db2.gz ITJRYWRUBGWSJE-DLBZAZTESA-N -1 3 392.446 3.862 20 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390.458 3.664 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144663401 902584589 /nfs/dbraw/zinc/58/45/89/902584589.db2.gz DIXXQKPDYDRGEH-KRWDZBQOSA-N -1 3 382.451 3.940 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000263866119 902624984 /nfs/dbraw/zinc/62/49/84/902624984.db2.gz GOPHTZMQHBKILE-KBXCAEBGSA-N -1 3 399.491 3.848 20 0 GHADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000846218980 902794367 /nfs/dbraw/zinc/79/43/67/902794367.db2.gz BCTVYGRPRNMQER-UHFFFAOYSA-N -1 3 380.278 3.609 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000846240598 902815741 /nfs/dbraw/zinc/81/57/41/902815741.db2.gz NMGYYSGLLBUIJR-VPAPRSNLSA-N -1 3 381.472 3.844 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000779016664 902873564 /nfs/dbraw/zinc/87/35/64/902873564.db2.gz FOYPPZLXNSXRJU-HOCLYGCPSA-N -1 3 376.497 3.891 20 0 GHADHM O=c1[n-]c(CN2CCC(CO)(c3ccccc3)CC2)nc2c3ccccc3oc21 ZINC000577697981 903069429 /nfs/dbraw/zinc/06/94/29/903069429.db2.gz AEXZRZWELKQQHE-UHFFFAOYSA-N -1 3 389.455 3.608 20 0 GHADHM Cn1cc([C@@H]2CN(Cc3cc(=O)oc4cc([O-])c(Cl)cc34)CC2(C)C)cn1 ZINC000846927529 903310343 /nfs/dbraw/zinc/31/03/43/903310343.db2.gz CAYOTHPMGHOXFS-HNNXBMFYSA-N -1 3 387.867 3.511 20 0 GHADHM COc1ccc(C(=O)N(C)Cc2nc3cc(C(F)(F)F)ccc3[nH]2)c([O-])c1 ZINC001147017363 903668486 /nfs/dbraw/zinc/66/84/86/903668486.db2.gz BHVWSTYDVFMOJJ-UHFFFAOYSA-N -1 3 379.338 3.568 20 0 GHADHM COC(=O)c1sc2cc(Br)cnc2c1[N-]C(=O)c1ccco1 ZINC001147084042 903674417 /nfs/dbraw/zinc/67/44/17/903674417.db2.gz DTDZNNXMRCLUNN-UHFFFAOYSA-N -1 3 381.207 3.691 20 0 GHADHM COc1cccc([C@@]2(C)CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)c1 ZINC001147427613 903778318 /nfs/dbraw/zinc/77/83/18/903778318.db2.gz ONOWIQYNWDCTIM-QFIPXVFZSA-N -1 3 398.409 3.619 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001147527935 903824304 /nfs/dbraw/zinc/82/43/04/903824304.db2.gz SUQCOWDRJNIFRY-KRWDZBQOSA-N -1 3 389.377 3.945 20 0 GHADHM CCCCN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001147695579 903854836 /nfs/dbraw/zinc/85/48/36/903854836.db2.gz CVYGUUBXORNHLY-LBPRGKRZSA-N -1 3 397.397 3.780 20 0 GHADHM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ncc([O-])cc1Br ZINC001147941549 903913133 /nfs/dbraw/zinc/91/31/33/903913133.db2.gz BKUZLDCUBAHPAQ-UHFFFAOYSA-N -1 3 391.250 3.629 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000887826899 903957292 /nfs/dbraw/zinc/95/72/92/903957292.db2.gz PTJMTSACDQBZGJ-UHFFFAOYSA-N -1 3 378.523 3.743 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000887891771 903981951 /nfs/dbraw/zinc/98/19/51/903981951.db2.gz MADQRSDBZHNNCB-JTQLQIEISA-N -1 3 383.395 3.553 20 0 GHADHM CCc1ccccc1OCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000048726285 904072310 /nfs/dbraw/zinc/07/23/10/904072310.db2.gz PJYKIHKZTQFSLQ-LBPRGKRZSA-N -1 3 386.473 3.847 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)c2)n1 ZINC000578772580 904110835 /nfs/dbraw/zinc/11/08/35/904110835.db2.gz XIGCVGYQYUAEDR-SFHVURJKSA-N -1 3 399.491 3.964 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cc(=O)[n-]cn1 ZINC001148604175 904119633 /nfs/dbraw/zinc/11/96/33/904119633.db2.gz RHNDXWPCUMXMOY-UHFFFAOYSA-N -1 3 390.281 3.577 20 0 GHADHM CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)ccc1[O-] ZINC001148662834 904162016 /nfs/dbraw/zinc/16/20/16/904162016.db2.gz SDXRVYWJYXKRPT-DLBZAZTESA-N -1 3 390.480 3.503 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2C(C)(C)C)cc1F ZINC001186772093 914795671 /nfs/dbraw/zinc/79/56/71/914795671.db2.gz ZOTZBFUCBMSHME-UHFFFAOYSA-N -1 3 383.460 3.928 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c([O-])c1 ZINC000579022036 904298943 /nfs/dbraw/zinc/29/89/43/904298943.db2.gz GJOWZVBHECHLSL-NRFANRHFSA-N -1 3 378.472 3.574 20 0 GHADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000579280215 904476890 /nfs/dbraw/zinc/47/68/90/904476890.db2.gz OGGUTKUDTKQHNT-UHFFFAOYSA-N -1 3 383.429 3.927 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@H](O)c3ccccc32)s1 ZINC000889272148 904520593 /nfs/dbraw/zinc/52/05/93/904520593.db2.gz SRNDECUURCCJDM-CYBMUJFWSA-N -1 3 375.450 3.574 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H]1C1CCCC1 ZINC000889400564 904556712 /nfs/dbraw/zinc/55/67/12/904556712.db2.gz MCJRXVCPWPIOQB-MRXNPFEDSA-N -1 3 375.266 3.695 20 0 GHADHM COc1ccc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])c(Br)c1 ZINC000579484601 904641174 /nfs/dbraw/zinc/64/11/74/904641174.db2.gz RWXSPXQTRHHCAC-QGZVFWFLSA-N -1 3 378.266 3.585 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(C2CC2)CC1 ZINC000646773928 914834663 /nfs/dbraw/zinc/83/46/63/914834663.db2.gz ODOYDLBLXWNMCI-JOCHJYFZSA-N -1 3 392.499 3.902 20 0 GHADHM CC(C)(C)OC(=O)n1cc(CC[N-]S(=O)(=O)c2ccco2)c2ccccc21 ZINC001186875479 914847691 /nfs/dbraw/zinc/84/76/91/914847691.db2.gz ZJLNNCNUJLIPTB-UHFFFAOYSA-N -1 3 390.461 3.539 20 0 GHADHM C[C@H](N[C@H]1CCC[C@@H](C(F)(F)C(=O)[O-])C1)c1nc(-c2cccc(F)c2)no1 ZINC000901457952 921127078 /nfs/dbraw/zinc/12/70/78/921127078.db2.gz XDZLZYHZRDSIPK-SUHUHFCYSA-N -1 3 383.370 3.805 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189695771 905257810 /nfs/dbraw/zinc/25/78/10/905257810.db2.gz HIITVVBFWLBBLQ-IBGZPJMESA-N -1 3 399.454 3.681 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc2cc(Br)ccc2s1 ZINC000628032109 905907673 /nfs/dbraw/zinc/90/76/73/905907673.db2.gz MWHSPRJFYLWTMK-GFCCVEGCSA-N -1 3 392.278 3.913 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1COCc1ccccc1 ZINC000628032328 905907761 /nfs/dbraw/zinc/90/77/61/905907761.db2.gz WFTZDAOEGAWQJW-HXUWFJFHSA-N -1 3 377.444 3.652 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1)C1=Cc2ccccc2OC1 ZINC000190277384 905916525 /nfs/dbraw/zinc/91/65/25/905916525.db2.gz YGPPOVOUVKVBJJ-UHFFFAOYSA-N -1 3 394.456 3.524 20 0 GHADHM CCc1cnc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000177766010 906212288 /nfs/dbraw/zinc/21/22/88/906212288.db2.gz NGMGXEGSVURGPX-UHFFFAOYSA-N -1 3 386.502 3.896 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)C[C@@H](C)C3CCCCC3)c(=O)c2c(OC)c1 ZINC000628980467 906407283 /nfs/dbraw/zinc/40/72/83/906407283.db2.gz BMHAXGWYXMCUCI-CQSZACIVSA-N -1 3 386.492 3.834 20 0 GHADHM C[C@]1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]2C[C@H]2C1 ZINC000629047474 906461693 /nfs/dbraw/zinc/46/16/93/906461693.db2.gz HWJWMBUJVPDNLK-FPRSRYDQSA-N -1 3 392.499 3.806 20 0 GHADHM C[C@@H](CCc1ccc(Cl)c(Cl)c1)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001173545645 906518817 /nfs/dbraw/zinc/51/88/17/906518817.db2.gz ZTOPUJKBDGEVMN-ZETCQYMHSA-N -1 3 385.276 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)n1 ZINC000179700417 906566340 /nfs/dbraw/zinc/56/63/40/906566340.db2.gz DGBAHCLZPRTIJO-HNNXBMFYSA-N -1 3 394.475 3.578 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1)C1CC1 ZINC000629290340 906680363 /nfs/dbraw/zinc/68/03/63/906680363.db2.gz SBUOMQSHVSDPGE-ZDUSSCGKSA-N -1 3 382.707 3.659 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)c(C)c1 ZINC000629333586 906720564 /nfs/dbraw/zinc/72/05/64/906720564.db2.gz XABJEWAHLTUJMG-GFCCVEGCSA-N -1 3 388.489 3.583 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000629494866 906829202 /nfs/dbraw/zinc/82/92/02/906829202.db2.gz DZZYODNEPHOLFB-SUYBPPKGSA-N -1 3 399.318 3.700 20 0 GHADHM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCc2ccc(F)cc2)cc1 ZINC001174318549 906982875 /nfs/dbraw/zinc/98/28/75/906982875.db2.gz FXLMYMOTYLRNOF-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM COc1ccc(OCc2nc(C[N-]c3nnc([C@H]4CCCO4)o3)cs2)cc1 ZINC000181798521 907081759 /nfs/dbraw/zinc/08/17/59/907081759.db2.gz JUXQGFRIYGTCJM-OAHLLOKOSA-N -1 3 388.449 3.577 20 0 GHADHM FC(F)(F)c1ccc(Br)c2nc([N-]c3cnc(C4CC4)nc3)nn21 ZINC001174612330 907135695 /nfs/dbraw/zinc/13/56/95/907135695.db2.gz IUSTVWQFEQDZTB-UHFFFAOYSA-N -1 3 399.174 3.922 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000182633154 907243117 /nfs/dbraw/zinc/24/31/17/907243117.db2.gz ATADYKXVOVIKJY-INIZCTEOSA-N -1 3 390.505 3.797 20 0 GHADHM C=Cc1ccc(C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)cc1 ZINC000192058000 907381044 /nfs/dbraw/zinc/38/10/44/907381044.db2.gz FPQSBOUJVDIBQF-UHFFFAOYSA-N -1 3 379.641 3.820 20 0 GHADHM Cc1ccc(C)c(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001175164333 907413780 /nfs/dbraw/zinc/41/37/80/907413780.db2.gz DDZMFUJBBCPCIU-UHFFFAOYSA-N -1 3 384.457 3.873 20 0 GHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)n(-c2ccccc2Br)n1 ZINC001175427617 907546842 /nfs/dbraw/zinc/54/68/42/907546842.db2.gz OEUVANOZFOZOQO-UHFFFAOYSA-N -1 3 396.252 3.867 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1)C(=O)[O-] ZINC000901544160 921341419 /nfs/dbraw/zinc/34/14/19/921341419.db2.gz STHRSAIOWRUTDF-OAHLLOKOSA-N -1 3 399.491 3.644 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)n1 ZINC000192615803 907786835 /nfs/dbraw/zinc/78/68/35/907786835.db2.gz HSGXCSAIHOQWTD-HNNXBMFYSA-N -1 3 390.528 3.663 20 0 GHADHM [O-]c1c(Br)c(F)ccc1Nc1ccc(CCN2CCOCC2)cc1 ZINC001176386076 908064343 /nfs/dbraw/zinc/06/43/43/908064343.db2.gz QAFVYJQSPCHOEE-UHFFFAOYSA-N -1 3 395.272 3.912 20 0 GHADHM CC(=O)c1cc(F)cc(CN2CCC(O)(c3ccccc3Cl)CC2)c1[O-] ZINC000193143345 908106143 /nfs/dbraw/zinc/10/61/43/908106143.db2.gz JOWGTSYUABOAQD-UHFFFAOYSA-N -1 3 377.843 3.871 20 0 GHADHM COc1cc(/C=C(\C(=O)Nc2ccc(O)cc2[O-])c2ccccc2)ccc1O ZINC001176498104 908140465 /nfs/dbraw/zinc/14/04/65/908140465.db2.gz PUJLCVLQUABIRT-BOPFTXTBSA-N -1 3 377.396 3.991 20 0 GHADHM COCCc1ncc(CN2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)s1 ZINC000901597650 921385268 /nfs/dbraw/zinc/38/52/68/921385268.db2.gz FFCOFFOYKLAOAO-IBGZPJMESA-N -1 3 388.533 3.803 20 0 GHADHM CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)O1 ZINC000901605734 921393187 /nfs/dbraw/zinc/39/31/87/921393187.db2.gz TZRNNVWEDALCHV-ZDUSSCGKSA-N -1 3 399.563 3.779 20 0 GHADHM O=S(=O)([N-]C1(c2noc(C(F)F)n2)CCC1)c1cccc(Cl)c1Cl ZINC000366228631 921395556 /nfs/dbraw/zinc/39/55/56/921395556.db2.gz XJVIOXVCHCGRGK-UHFFFAOYSA-N -1 3 398.218 3.672 20 0 GHADHM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001176993162 908353035 /nfs/dbraw/zinc/35/30/35/908353035.db2.gz DKQHDIRSPRSKEM-KRWDZBQOSA-N -1 3 379.287 3.980 20 0 GHADHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001177123230 908398546 /nfs/dbraw/zinc/39/85/46/908398546.db2.gz MFYXOMAMGMMLGV-UHFFFAOYSA-N -1 3 392.868 3.620 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)c(=O)c2c(OC)c1 ZINC000633710873 908438318 /nfs/dbraw/zinc/43/83/18/908438318.db2.gz LXLKENGFCWZSEL-SJLPKXTDSA-N -1 3 392.455 3.611 20 0 GHADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000193820298 908744287 /nfs/dbraw/zinc/74/42/87/908744287.db2.gz CEENJSBXZHEDAO-UHFFFAOYSA-N -1 3 382.266 3.693 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000634521187 908747405 /nfs/dbraw/zinc/74/74/05/908747405.db2.gz GHTNQFFBNOEILF-GOSISDBHSA-N -1 3 394.519 3.502 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1OC ZINC000192894382 908832404 /nfs/dbraw/zinc/83/24/04/908832404.db2.gz XZYOIKQWBQHBIW-UHFFFAOYSA-N -1 3 398.912 3.528 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001178648053 909166265 /nfs/dbraw/zinc/16/62/65/909166265.db2.gz ZPUVTMCOINPUOB-UHFFFAOYSA-N -1 3 376.453 3.571 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183047 909399892 /nfs/dbraw/zinc/39/98/92/909399892.db2.gz OYUIPKYSNKDYKW-BQBZGAKWSA-N -1 3 397.184 3.775 20 0 GHADHM O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)c1ccc(O)cc1[O-] ZINC001179173679 909413679 /nfs/dbraw/zinc/41/36/79/909413679.db2.gz ZNFMLPSVOZDDJD-UHFFFAOYSA-N -1 3 381.403 3.788 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1CC=CC[C@@H]1c1nc3ccccc3s1)C2 ZINC000636284409 909518453 /nfs/dbraw/zinc/51/84/53/909518453.db2.gz YOZKXODVQWLWJQ-KBPBESRZSA-N -1 3 392.484 3.693 20 0 GHADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636320740 909541394 /nfs/dbraw/zinc/54/13/94/909541394.db2.gz JJTWXPNXADQTQN-AWEZNQCLSA-N -1 3 381.476 3.708 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000267648843 909575004 /nfs/dbraw/zinc/57/50/04/909575004.db2.gz UAXXCLIIWUAQDJ-QMMMGPOBSA-N -1 3 381.306 3.636 20 0 GHADHM CSc1[n-]nc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1C(N)=O ZINC001179651793 909618691 /nfs/dbraw/zinc/61/86/91/909618691.db2.gz PXXWAIXWBNYJPW-UHFFFAOYSA-N -1 3 392.912 3.796 20 0 GHADHM COC(=O)c1cc(NC(=O)C(F)(F)c2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001179883875 909804007 /nfs/dbraw/zinc/80/40/07/909804007.db2.gz PQEUAIFQEHXJMI-UHFFFAOYSA-N -1 3 385.750 3.571 20 0 GHADHM COC(=O)c1cc(NC(=O)CCCOc2ccc(C)c(C)c2)c([O-])c(OC)c1 ZINC001179883525 909804167 /nfs/dbraw/zinc/80/41/67/909804167.db2.gz MHJNMNBWNIVCBL-UHFFFAOYSA-N -1 3 387.432 3.602 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c(C(F)(F)F)o1 ZINC001179954849 909864539 /nfs/dbraw/zinc/86/45/39/909864539.db2.gz NUBXNNBCRLYOKM-UHFFFAOYSA-N -1 3 393.321 3.939 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c(C(F)(F)F)o1 ZINC001179954849 909864554 /nfs/dbraw/zinc/86/45/54/909864554.db2.gz NUBXNNBCRLYOKM-UHFFFAOYSA-N -1 3 393.321 3.939 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1c1cccnc1 ZINC000366366206 921537948 /nfs/dbraw/zinc/53/79/48/921537948.db2.gz JILJQUHNYFBGDW-OAHLLOKOSA-N -1 3 376.254 3.596 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)ccc1OC(F)F ZINC000901755012 921538026 /nfs/dbraw/zinc/53/80/26/921538026.db2.gz OLAYPSWSUFYKAV-KRWDZBQOSA-N -1 3 381.375 3.611 20 0 GHADHM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000795378685 910109754 /nfs/dbraw/zinc/10/97/54/910109754.db2.gz BZNNSHKACOEUIJ-SNVBAGLBSA-N -1 3 393.358 3.621 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000299666282 921564379 /nfs/dbraw/zinc/56/43/79/921564379.db2.gz IFUYTXNEAUKQBT-LJQANCHMSA-N -1 3 388.471 3.501 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)C(=O)CCc2ccccc2)c1-c1ccccc1 ZINC001180965046 910461326 /nfs/dbraw/zinc/46/13/26/910461326.db2.gz ZHPOTKZRSDXEMW-UHFFFAOYSA-N -1 3 392.411 3.659 20 0 GHADHM CCSc1cccc(Br)c1[N-]C(=O)c1cc(C(=O)OC)ccn1 ZINC001274512139 910486370 /nfs/dbraw/zinc/48/63/70/910486370.db2.gz WOBSQNQCNDXNOJ-UHFFFAOYSA-N -1 3 395.278 3.995 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)ccnc2F)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001274533359 910682893 /nfs/dbraw/zinc/68/28/93/910682893.db2.gz ZWZZTNBBVCILBK-UHFFFAOYSA-N -1 3 397.307 3.579 20 0 GHADHM N=c1[n-]nc([C@@H]2CCCN(CCSc3ccnc4cc(Cl)ccc43)C2)o1 ZINC000639822676 910693976 /nfs/dbraw/zinc/69/39/76/910693976.db2.gz RMIWIMYFZFENOP-GFCCVEGCSA-N -1 3 389.912 3.655 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1c2ccc(Cl)cc2C[C@H]1C ZINC001181549849 910832626 /nfs/dbraw/zinc/83/26/26/910832626.db2.gz XKAWWABRIXGAQP-GFCCVEGCSA-N -1 3 394.862 3.726 20 0 GHADHM Cc1cnc([C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C2CC2)s1 ZINC000640295159 910957568 /nfs/dbraw/zinc/95/75/68/910957568.db2.gz PXAATCXLACEALF-SNVBAGLBSA-N -1 3 393.822 3.558 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@@H]1CSc2ccccc21 ZINC000640299363 910958248 /nfs/dbraw/zinc/95/82/48/910958248.db2.gz SFQZNPHWKIYBAF-SECBINFHSA-N -1 3 390.818 3.532 20 0 GHADHM COc1cccc(-c2nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)no2)c1[O-] ZINC000273957931 911138672 /nfs/dbraw/zinc/13/86/72/911138672.db2.gz VQCAKRLNUREKEH-GFCCVEGCSA-N -1 3 375.425 3.565 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000795570901 911223562 /nfs/dbraw/zinc/22/35/62/911223562.db2.gz ZUSQPQJUSVQUSP-UHFFFAOYSA-N -1 3 393.223 3.505 20 0 GHADHM CC(=O)Nc1ccc2nc(NC(=O)c3c[n-]c4ccc(C)cc4c3=O)sc2c1 ZINC001182203152 911277162 /nfs/dbraw/zinc/27/71/62/911277162.db2.gz WXFADTYWLKUQTH-UHFFFAOYSA-N -1 3 392.440 3.657 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCc2cc(Br)ccc2O1 ZINC001182255723 911351540 /nfs/dbraw/zinc/35/15/40/911351540.db2.gz DINRYFRVNGFBPN-INIZCTEOSA-N -1 3 390.233 3.690 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccn(Cc4ccccc4)n3)c2)n1 ZINC000774103706 911388988 /nfs/dbraw/zinc/38/89/88/911388988.db2.gz GSIWZUVEUFDQKF-UHFFFAOYSA-N -1 3 386.411 3.622 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(C)(C)C1 ZINC000283444242 911510769 /nfs/dbraw/zinc/51/07/69/911510769.db2.gz HCNAPOZLNCAFJX-GOSISDBHSA-N -1 3 399.491 3.706 20 0 GHADHM O=C(COc1nc2ccccc2s1)Nc1cc(Br)ccc1[O-] ZINC001182699089 911981596 /nfs/dbraw/zinc/98/15/96/911981596.db2.gz CCCHCAAUOCYOAZ-UHFFFAOYSA-N -1 3 379.235 3.782 20 0 GHADHM C[C@]12CCN(Cc3ccc([O-])c(F)c3)C[C@H]1C2(Br)Br ZINC001182864646 912088451 /nfs/dbraw/zinc/08/84/51/912088451.db2.gz KDZOFANTXFQOQR-OLZOCXBDSA-N -1 3 393.094 3.859 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N(CCc1cccc(F)c1)C1CC1 ZINC001182968242 912156940 /nfs/dbraw/zinc/15/69/40/912156940.db2.gz FAUQWGIWTCSTMK-UHFFFAOYSA-N -1 3 386.373 3.793 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc2ccc(-c3ccccc3)nc21 ZINC001182973026 912194675 /nfs/dbraw/zinc/19/46/75/912194675.db2.gz RSXGGPXJMIHIQM-UHFFFAOYSA-N -1 3 397.434 3.976 20 0 GHADHM CO[C@](C)(C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000290956110 914884171 /nfs/dbraw/zinc/88/41/71/914884171.db2.gz MTDZNJAQFVFOON-FQEVSTJZSA-N -1 3 388.489 3.549 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(Br)n1 ZINC001187181282 915072424 /nfs/dbraw/zinc/07/24/24/915072424.db2.gz QSEJQIQGUAGKMS-UHFFFAOYSA-N -1 3 387.324 3.894 20 0 GHADHM CCOCCS(=O)(=O)[N-]c1cc(Cl)c(Br)cc1Cl ZINC001187291881 915156943 /nfs/dbraw/zinc/15/69/43/915156943.db2.gz GRFLUOWPCZPDFD-UHFFFAOYSA-N -1 3 377.087 3.534 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1cnc2c(C3CC3)cnn2c1 ZINC001187616536 915384451 /nfs/dbraw/zinc/38/44/51/915384451.db2.gz CUUKJLOTYILDPN-UHFFFAOYSA-N -1 3 392.484 3.744 20 0 GHADHM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000291844632 915387421 /nfs/dbraw/zinc/38/74/21/915387421.db2.gz NSAXXZDLGXBQAK-WBVHZDCISA-N -1 3 398.507 3.702 20 0 GHADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1F ZINC000647892740 915427854 /nfs/dbraw/zinc/42/78/54/915427854.db2.gz SMEYPIKPSRODCE-GFCCVEGCSA-N -1 3 392.477 3.997 20 0 GHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1csnc1-c1ccccc1 ZINC000647900112 915430234 /nfs/dbraw/zinc/43/02/34/915430234.db2.gz IUJHVFALISNXDI-KRWDZBQOSA-N -1 3 388.514 3.602 20 0 GHADHM O=C(NCCc1cccc(Oc2ccccc2)c1)c1nn[n-]c1C(F)(F)F ZINC001187770843 915485776 /nfs/dbraw/zinc/48/57/76/915485776.db2.gz RRMYGJPAJYQAGR-UHFFFAOYSA-N -1 3 376.338 3.588 20 0 GHADHM O=C(NCCc1cccc(Oc2ccccc2)c1)c1[n-]nnc1C(F)(F)F ZINC001187770843 915485780 /nfs/dbraw/zinc/48/57/80/915485780.db2.gz RRMYGJPAJYQAGR-UHFFFAOYSA-N -1 3 376.338 3.588 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000292339161 915624509 /nfs/dbraw/zinc/62/45/09/915624509.db2.gz PBEDQAILYJOBHS-INIZCTEOSA-N -1 3 391.924 3.778 20 0 GHADHM CC(C)CC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCOCC1 ZINC001187988162 915668617 /nfs/dbraw/zinc/66/86/17/915668617.db2.gz OMLFKKSTEUUFHR-UHFFFAOYSA-N -1 3 381.325 3.510 20 0 GHADHM O=S(=O)([N-]Cc1c(F)ccc(Cl)c1F)c1cnc(Cl)c(Cl)c1 ZINC001188079294 915741194 /nfs/dbraw/zinc/74/11/94/915741194.db2.gz RUMVUPMGYBPPOD-UHFFFAOYSA-N -1 3 387.622 3.799 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)N(C)C)cc1 ZINC000292584142 915752395 /nfs/dbraw/zinc/75/23/95/915752395.db2.gz MBJUIOIWUGOOIU-NRFANRHFSA-N -1 3 393.487 3.760 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1Cl)[N-]Cc1nnc(-c2ccccc2)s1 ZINC001188117836 915764330 /nfs/dbraw/zinc/76/43/30/915764330.db2.gz WKYRPTMEQWPIDM-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM O=C([N-]CCCSc1nc2c(n1-c1ccccc1)CCCC2)C(F)(F)F ZINC001188347778 915903347 /nfs/dbraw/zinc/90/33/47/915903347.db2.gz DJMSJPFIDDVVAR-UHFFFAOYSA-N -1 3 383.439 3.912 20 0 GHADHM CCc1cc2c(CN[C@H](c3nccs3)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000293014238 915950061 /nfs/dbraw/zinc/95/00/61/915950061.db2.gz QBKJHAHHAPSGJB-OAHLLOKOSA-N -1 3 384.379 3.911 20 0 GHADHM Cn1cncc1[N-]S(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1 ZINC001188466893 915990499 /nfs/dbraw/zinc/99/04/99/915990499.db2.gz ASOFZNRPPIDBJF-UHFFFAOYSA-N -1 3 387.408 3.968 20 0 GHADHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001188549020 916045755 /nfs/dbraw/zinc/04/57/55/916045755.db2.gz FYSICKQZMSSZDP-UHFFFAOYSA-N -1 3 383.333 3.665 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c(-c2ccccc2)s1 ZINC001188607436 916053672 /nfs/dbraw/zinc/05/36/72/916053672.db2.gz NJWQDSDQMRPWMO-HOTGVXAUSA-N -1 3 380.535 3.600 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)NCc2cc(Cl)c([O-])c(OC)c2)c1 ZINC001188689201 916114148 /nfs/dbraw/zinc/11/41/48/916114148.db2.gz JWWYPWSUYRNPIQ-UHFFFAOYSA-N -1 3 378.812 3.553 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c(F)c1 ZINC001189009174 916337542 /nfs/dbraw/zinc/33/75/42/916337542.db2.gz CBEUAGGVZXULRX-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cnc2c(C3CCC3)cnn2c1 ZINC001189075502 916391311 /nfs/dbraw/zinc/39/13/11/916391311.db2.gz JRPFSCGKJNNURQ-UHFFFAOYSA-N -1 3 390.896 3.635 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001189383213 916579615 /nfs/dbraw/zinc/57/96/15/916579615.db2.gz INNGMVGXKVPAFI-KBPBESRZSA-N -1 3 391.880 3.566 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1cccc(C)c1C ZINC001189498273 916679495 /nfs/dbraw/zinc/67/94/95/916679495.db2.gz PSSZURHQSDMKRG-IBGZPJMESA-N -1 3 375.490 3.503 20 0 GHADHM Cc1cc2c([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)cccc2nn1 ZINC001189529374 916724051 /nfs/dbraw/zinc/72/40/51/916724051.db2.gz DXUBXJIPSUMEGG-UHFFFAOYSA-N -1 3 381.379 3.899 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(C(F)(F)F)cnc1Cl ZINC000294355264 916759203 /nfs/dbraw/zinc/75/92/03/916759203.db2.gz QWGDPUZEEDKLKJ-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM COc1ccc(-n2cccc2)c([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189687671 916807628 /nfs/dbraw/zinc/80/76/28/916807628.db2.gz UWJBQMSFHDBGBJ-UHFFFAOYSA-N -1 3 378.400 3.706 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c(F)cc1F ZINC001189654996 916814861 /nfs/dbraw/zinc/81/48/61/916814861.db2.gz CNICWUYDKVQKBN-INIZCTEOSA-N -1 3 388.867 3.508 20 0 GHADHM COc1ccc([O-])c(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1 ZINC000775294581 916843287 /nfs/dbraw/zinc/84/32/87/916843287.db2.gz DNHUKBGHVDKTGR-UHFFFAOYSA-N -1 3 384.432 3.951 20 0 GHADHM COc1cccc2c1SC[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C2 ZINC001189774746 916908216 /nfs/dbraw/zinc/90/82/16/916908216.db2.gz AMGWGUVLDZLEEX-NSHDSACASA-N -1 3 399.390 3.746 20 0 GHADHM O=C(NCc1cccc(-c2c[nH]cn2)c1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189775120 916910164 /nfs/dbraw/zinc/91/01/64/916910164.db2.gz PYBJSMIQLIZCMY-UHFFFAOYSA-N -1 3 377.322 3.611 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cncc(OCc2ccccc2)c1 ZINC001189789277 916923578 /nfs/dbraw/zinc/92/35/78/916923578.db2.gz KPMGYTRIHFOXBV-UHFFFAOYSA-N -1 3 390.411 3.881 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(Cl)c(OC)c1 ZINC001189823963 916946711 /nfs/dbraw/zinc/94/67/11/916946711.db2.gz BJOHMVIWMNKLMK-UHFFFAOYSA-N -1 3 377.796 3.577 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001190025734 917062988 /nfs/dbraw/zinc/06/29/88/917062988.db2.gz USZKJHXBYBKTTF-FUMQJTLXSA-N -1 3 392.546 3.704 20 0 GHADHM COc1ccc(-c2ocnc2C(=O)[N-]c2csc(Br)n2)cc1 ZINC001190216452 917201958 /nfs/dbraw/zinc/20/19/58/917201958.db2.gz UDSKBSNMHHQDAN-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)nc2)c([O-])c1 ZINC001190397706 917299576 /nfs/dbraw/zinc/29/95/76/917299576.db2.gz SRCBDMVIQAFVOG-UHFFFAOYSA-N -1 3 379.416 3.786 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC001190518181 917378291 /nfs/dbraw/zinc/37/82/91/917378291.db2.gz JVMMBBVAAODNAL-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1cccc2ccccc21 ZINC001190525859 917384053 /nfs/dbraw/zinc/38/40/53/917384053.db2.gz YGGNNNHWRSFEEV-NRFANRHFSA-N -1 3 395.480 3.910 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(C)c2)CCC1 ZINC001190601684 917441279 /nfs/dbraw/zinc/44/12/79/917441279.db2.gz BZUDYJWZNQESBF-UHFFFAOYSA-N -1 3 393.892 3.793 20 0 GHADHM NC(=O)c1ccc(NC(=O)Nc2cc(Br)ccc2Cl)c([O-])c1 ZINC001190884005 917629443 /nfs/dbraw/zinc/62/94/43/917629443.db2.gz HIPXPCLBJKXIEH-UHFFFAOYSA-N -1 3 384.617 3.551 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1cnn(C(C)C)c1 ZINC000651558462 917658070 /nfs/dbraw/zinc/65/80/70/917658070.db2.gz RBIYUVJBANCPDY-JTQLQIEISA-N -1 3 392.344 3.636 20 0 GHADHM Cn1cc(-c2ccc(C3CCN(C(=O)c4ccc(=O)[n-]c4Cl)CC3)cc2)cn1 ZINC001190910356 917658168 /nfs/dbraw/zinc/65/81/68/917658168.db2.gz QBWASXVGHNQAJU-UHFFFAOYSA-N -1 3 396.878 3.861 20 0 GHADHM C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001191053808 917727650 /nfs/dbraw/zinc/72/76/50/917727650.db2.gz JOLZULIFWYTRIK-CABZTGNLSA-N -1 3 399.319 3.600 20 0 GHADHM COc1cc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)cc(OC)c1[O-] ZINC000652524963 917921573 /nfs/dbraw/zinc/92/15/73/917921573.db2.gz CYKCFCWXGACDLQ-UHFFFAOYSA-N -1 3 381.472 3.821 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001191333836 917938379 /nfs/dbraw/zinc/93/83/79/917938379.db2.gz RWNOOLPLWSVJKH-UONOGXRCSA-N -1 3 393.530 3.793 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CC2(CCC2)C1 ZINC000652970491 918069983 /nfs/dbraw/zinc/06/99/83/918069983.db2.gz PXOOIGGCVYPLNA-FQEVSTJZSA-N -1 3 378.472 3.702 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(=O)n(CC3CC3)c2)c1Cl ZINC001191777122 918181979 /nfs/dbraw/zinc/18/19/79/918181979.db2.gz OCFUHQUMUKASFG-UHFFFAOYSA-N -1 3 387.288 3.674 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cncc(OC(F)(F)F)c1 ZINC001191874167 918276291 /nfs/dbraw/zinc/27/62/91/918276291.db2.gz DVYHNHBHPLTWQA-UHFFFAOYSA-N -1 3 384.738 3.715 20 0 GHADHM Cc1nc(-c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)cc2)no1 ZINC001191903148 918293331 /nfs/dbraw/zinc/29/33/31/918293331.db2.gz CPPZUGIJTGSMJX-UHFFFAOYSA-N -1 3 381.816 3.779 20 0 GHADHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC001192082799 918379068 /nfs/dbraw/zinc/37/90/68/918379068.db2.gz AXEPZIQPLNNGSJ-RFAUZJTJSA-N -1 3 378.252 3.533 20 0 GHADHM CN(Cc1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1)C(=O)OC(C)(C)C ZINC001192067328 918403593 /nfs/dbraw/zinc/40/35/93/918403593.db2.gz CXQCHLUTVHDZQH-UHFFFAOYSA-N -1 3 396.447 3.888 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1ccc(OC(F)F)cc1 ZINC001192147802 918440587 /nfs/dbraw/zinc/44/05/87/918440587.db2.gz BXLBIOZLMNRRET-UHFFFAOYSA-N -1 3 381.335 3.974 20 0 GHADHM COc1cc(Br)c(CNC[C@@](C)(CC(C)C)C(=O)[O-])c(OC)c1 ZINC000900051323 919775483 /nfs/dbraw/zinc/77/54/83/919775483.db2.gz AUBLWKQNOYZQAJ-QGZVFWFLSA-N -1 3 388.302 3.693 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000800263342 919808109 /nfs/dbraw/zinc/80/81/09/919808109.db2.gz WIBRLXVJUDSTCP-QMMMGPOBSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000800263342 919808119 /nfs/dbraw/zinc/80/81/19/919808119.db2.gz WIBRLXVJUDSTCP-QMMMGPOBSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nnc(-c2cccc(Cl)c2)o1 ZINC000800263342 919808125 /nfs/dbraw/zinc/80/81/25/919808125.db2.gz WIBRLXVJUDSTCP-QMMMGPOBSA-N -1 3 387.758 3.718 20 0 GHADHM CC(=O)c1ccc(NC(=O)CCN2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000364838207 920068641 /nfs/dbraw/zinc/06/86/41/920068641.db2.gz JNYDXYTZMDMFRD-UHFFFAOYSA-N -1 3 394.471 3.796 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800478576 920164714 /nfs/dbraw/zinc/16/47/14/920164714.db2.gz LFVWULQKHRECNM-UHFFFAOYSA-N -1 3 389.362 3.835 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000800485688 920169714 /nfs/dbraw/zinc/16/97/14/920169714.db2.gz MVSMYCDYZKIRRN-RYQLBKOJSA-N -1 3 398.507 3.544 20 0 GHADHM CCCN(C(=O)c1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21)C(C)C ZINC000800519816 920240063 /nfs/dbraw/zinc/24/00/63/920240063.db2.gz WJSJQOQBZJSUHJ-UHFFFAOYSA-N -1 3 383.427 3.610 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nc(C)cs1 ZINC000800917490 920599123 /nfs/dbraw/zinc/59/91/23/920599123.db2.gz ODCVQEGJWGCUQB-QGZVFWFLSA-N -1 3 398.937 3.838 20 0 GHADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800935199 920624354 /nfs/dbraw/zinc/62/43/54/920624354.db2.gz ILWWTYXGDCBBHK-LBPRGKRZSA-N -1 3 383.819 3.724 20 0 GHADHM O=c1[n-]c(SCCOC2CCSCC2)nc2c1cnn2-c1ccccc1 ZINC000901359376 921033306 /nfs/dbraw/zinc/03/33/06/921033306.db2.gz AAPYFWWQHYVNKD-UHFFFAOYSA-N -1 3 388.518 3.525 20 0 GHADHM O=C([O-])/C=C\c1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)o1 ZINC000901428431 921098036 /nfs/dbraw/zinc/09/80/36/921098036.db2.gz GHTFJASANLQQLQ-CDNLZTBQSA-N -1 3 397.406 3.946 20 0 GHADHM CCCCNC(=O)c1ccc(CNCc2ccnc3c(C(=O)[O-])cccc23)cc1 ZINC000902146245 921920364 /nfs/dbraw/zinc/92/03/64/921920364.db2.gz WILCOPWEXRHTLQ-UHFFFAOYSA-N -1 3 391.471 3.753 20 0 GHADHM C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902293252 922067457 /nfs/dbraw/zinc/06/74/57/922067457.db2.gz 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C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000558055556 931818865 /nfs/dbraw/zinc/81/88/65/931818865.db2.gz WADGSPKRLVJFIO-ZDUSSCGKSA-N -1 3 399.853 3.672 20 0 GHADHM O=c1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000777566896 931837524 /nfs/dbraw/zinc/83/75/24/931837524.db2.gz OWAUSYHFFZIJBN-LJQANCHMSA-N -1 3 383.419 3.819 20 0 GHADHM CC(C)COc1cccc(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000784300005 931849017 /nfs/dbraw/zinc/84/90/17/931849017.db2.gz OHJQTVJDCNAWJW-UHFFFAOYSA-N -1 3 398.415 3.599 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000784316412 931853289 /nfs/dbraw/zinc/85/32/89/931853289.db2.gz WQYFBVJLKKPUDZ-UHFFFAOYSA-N -1 3 394.305 3.627 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)N=c3cc4ccccn4[n-]3)c2)cc1 ZINC000558463975 932016286 /nfs/dbraw/zinc/01/62/86/932016286.db2.gz QBHGZRVCTZBOBY-UHFFFAOYSA-N -1 3 378.457 3.815 20 0 GHADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000558478289 932025303 /nfs/dbraw/zinc/02/53/03/932025303.db2.gz CAJURLHGRIOUBX-HNNXBMFYSA-N -1 3 398.894 3.905 20 0 GHADHM CCCN(Cc1ccccc1Br)C(=O)N=c1cc2ccccn2[n-]1 ZINC000558478293 932025546 /nfs/dbraw/zinc/02/55/46/932025546.db2.gz CJMKDKIMQMQPRQ-UHFFFAOYSA-N -1 3 387.281 3.963 20 0 GHADHM CC(C)(C)SCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796715458 932039797 /nfs/dbraw/zinc/03/97/97/932039797.db2.gz UFIBKTYFFRUXLJ-UHFFFAOYSA-N -1 3 399.456 3.765 20 0 GHADHM Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000797744342 932391912 /nfs/dbraw/zinc/39/19/12/932391912.db2.gz OYCZHHIBPJUEGN-SFHVURJKSA-N -1 3 388.439 3.722 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798456828 932654974 /nfs/dbraw/zinc/65/49/74/932654974.db2.gz OUPMDSSXCOUFOY-HZPDHXFCSA-N -1 3 391.478 3.691 20 0 GHADHM C[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc2ccccc2c1 ZINC000799024348 932854534 /nfs/dbraw/zinc/85/45/34/932854534.db2.gz RUSJQGTUSQDTKP-AWEZNQCLSA-N -1 3 392.421 3.860 20 0 GHADHM Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(F)ccc3[O-])CCCC2)cc1 ZINC000559799074 932866046 /nfs/dbraw/zinc/86/60/46/932866046.db2.gz NOQMRRAQSILOIR-UHFFFAOYSA-N -1 3 377.437 3.565 20 0 GHADHM CCC1(C(=O)[N-]OCc2ccccc2OC)CCN(C(=O)c2ccccc2)CC1 ZINC000799096340 932877066 /nfs/dbraw/zinc/87/70/66/932877066.db2.gz IVERREPVJOTVQK-UHFFFAOYSA-N -1 3 396.487 3.576 20 0 GHADHM COc1cc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc(OC)c1OC ZINC000559989054 933002333 /nfs/dbraw/zinc/00/23/33/933002333.db2.gz HEIBLCGELZHVKV-HSZRJFAPSA-N -1 3 399.487 3.854 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)cc(OC(C)C)c2)[n-]1 ZINC000560198678 933126225 /nfs/dbraw/zinc/12/62/25/933126225.db2.gz JWGFOSGNLIWZGS-UHFFFAOYSA-N -1 3 381.226 3.603 20 0 GHADHM O=c1cc(CN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c2ccc([O-])cc2o1 ZINC000777714019 933129049 /nfs/dbraw/zinc/12/90/49/933129049.db2.gz YCSNPJROCBHUSS-SFHVURJKSA-N -1 3 388.427 3.621 20 0 GHADHM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000799916465 933165389 /nfs/dbraw/zinc/16/53/89/933165389.db2.gz IPUDQWBERNJEAK-KHPPLWFESA-N -1 3 390.465 3.518 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(NC(=O)C4CC4)cc3)nc2)n1 ZINC001116017575 933284750 /nfs/dbraw/zinc/28/47/50/933284750.db2.gz CAMIXKDVEOHYDT-UHFFFAOYSA-N -1 3 389.459 3.767 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(F)cc2I)c1[O-] ZINC000560551414 933334832 /nfs/dbraw/zinc/33/48/32/933334832.db2.gz XOFXYWGCISNNTA-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccn(-c4ccncc4)n3)nc(=O)c2c1C ZINC001116791210 933757781 /nfs/dbraw/zinc/75/77/81/933757781.db2.gz FMXSFXVOXAQQTR-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC001116831865 933783396 /nfs/dbraw/zinc/78/33/96/933783396.db2.gz CTOCKBCLKBFROG-GFCCVEGCSA-N -1 3 395.695 3.708 20 0 GHADHM CCOC(=O)C(C)(C)C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000561066710 933833687 /nfs/dbraw/zinc/83/36/87/933833687.db2.gz DIKFBSVRJRKZPO-UHFFFAOYSA-N -1 3 379.472 3.682 20 0 GHADHM O=S(=O)([N-]c1ccccc1Cl)c1cnc(Cl)c(Br)c1 ZINC000035551156 933948908 /nfs/dbraw/zinc/94/89/08/933948908.db2.gz YFQFIVPPSZLXKN-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1ccc2sc(C(=O)NCc3c(F)cccc3[N-]S(C)(=O)=O)cc2c1 ZINC001117641456 933968402 /nfs/dbraw/zinc/96/84/02/933968402.db2.gz XPEIRFPPRFUETK-UHFFFAOYSA-N -1 3 392.477 3.650 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nc(C3CC3)ncc2Br)s1 ZINC000930417522 934036672 /nfs/dbraw/zinc/03/66/72/934036672.db2.gz NLBFNYNSWILQRI-UHFFFAOYSA-N -1 3 382.287 3.563 20 0 GHADHM COc1nc2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2s1 ZINC000561306542 934040188 /nfs/dbraw/zinc/04/01/88/934040188.db2.gz BVYYJFAANXDSHK-UHFFFAOYSA-N -1 3 383.404 3.846 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cccnc1C(F)(F)F ZINC000561478018 934200109 /nfs/dbraw/zinc/20/01/09/934200109.db2.gz SVTFWMRODBMKJR-OAHLLOKOSA-N -1 3 382.363 3.761 20 0 GHADHM Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000930861073 934277434 /nfs/dbraw/zinc/27/74/34/934277434.db2.gz CMXLFXIEMFLIPM-ZDUSSCGKSA-N -1 3 397.866 3.698 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)c(C)cc2C)n1 ZINC001119107372 934310254 /nfs/dbraw/zinc/31/02/54/934310254.db2.gz QMQHRVKEEYQIJB-UHFFFAOYSA-N -1 3 378.270 3.535 20 0 GHADHM COc1cc(CCC(=O)[N-]OC2CCCCC2)ccc1OCC(F)(F)F ZINC000777950842 934353644 /nfs/dbraw/zinc/35/36/44/934353644.db2.gz WXZDCPHYRUHSHG-UHFFFAOYSA-N -1 3 375.387 3.949 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(OC2CCCCC2)CC1 ZINC000931210332 934440730 /nfs/dbraw/zinc/44/07/30/934440730.db2.gz HXCAMWUCMWNQGQ-UHFFFAOYSA-N -1 3 390.430 3.760 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000561880425 934533330 /nfs/dbraw/zinc/53/33/30/934533330.db2.gz JQTOAAPQRDRBKQ-UHFFFAOYSA-N -1 3 375.425 3.519 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000829174849 935776305 /nfs/dbraw/zinc/77/63/05/935776305.db2.gz JKDKLTOTUUCVCQ-ZDUSSCGKSA-N -1 3 380.510 3.586 20 0 GHADHM CN1CC[C@H](CNC(=O)c2cccc([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001137945344 935885005 /nfs/dbraw/zinc/88/50/05/935885005.db2.gz PJXLLINSADUNND-XIKOKIGWSA-N -1 3 380.822 3.747 20 0 GHADHM COc1ccccc1[C@@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000830133061 935903821 /nfs/dbraw/zinc/90/38/21/935903821.db2.gz HMQPFKDNMNHFFK-MRXNPFEDSA-N -1 3 382.460 3.769 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC001138016135 935929570 /nfs/dbraw/zinc/92/95/70/935929570.db2.gz HPAJQVXWCOZZSF-SECBINFHSA-N -1 3 381.429 3.826 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)cc1OCc1coc(-c2ccccc2)n1 ZINC001573279003 946628992 /nfs/dbraw/zinc/62/89/92/946628992.db2.gz CNWOXBAJXBJYKO-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)cc1OCc1coc(-c2ccccc2)n1 ZINC001573279003 946628999 /nfs/dbraw/zinc/62/89/99/946628999.db2.gz CNWOXBAJXBJYKO-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1SCc1ccc2c(c1)OCO2 ZINC001573279620 946646576 /nfs/dbraw/zinc/64/65/76/946646576.db2.gz LEJUWJLCXFHLEC-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1SCc1ccc2c(c1)OCO2 ZINC001573279620 946646588 /nfs/dbraw/zinc/64/65/88/946646588.db2.gz LEJUWJLCXFHLEC-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NCC2([C@@H]3CCCCO3)CCC2)c1 ZINC001573279963 946652394 /nfs/dbraw/zinc/65/23/94/946652394.db2.gz NPFDWKBGMHOODO-HNNXBMFYSA-N -1 3 392.301 3.781 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NCC2([C@@H]3CCCCO3)CCC2)c1 ZINC001573279963 946652400 /nfs/dbraw/zinc/65/24/00/946652400.db2.gz NPFDWKBGMHOODO-HNNXBMFYSA-N -1 3 392.301 3.781 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)c2ccccn21 ZINC001573363516 947713568 /nfs/dbraw/zinc/71/35/68/947713568.db2.gz CYBISTAGBBDTEK-VAWYXSNFSA-N -1 3 376.395 3.609 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)c2ccccn21 ZINC001573363516 947713572 /nfs/dbraw/zinc/71/35/72/947713572.db2.gz CYBISTAGBBDTEK-VAWYXSNFSA-N -1 3 376.395 3.609 20 0 GHADHM CC(C)c1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)CCCC2)cc1 ZINC001465022974 948531895 /nfs/dbraw/zinc/53/18/95/948531895.db2.gz RJUXZKVHUXMRJE-UHFFFAOYSA-N -1 3 390.491 3.627 20 0 GHADHM CC(C)c1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)CCCC2)cc1 ZINC001465022974 948531903 /nfs/dbraw/zinc/53/19/03/948531903.db2.gz RJUXZKVHUXMRJE-UHFFFAOYSA-N -1 3 390.491 3.627 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001574421810 948824444 /nfs/dbraw/zinc/82/44/44/948824444.db2.gz QDYAZQRBCMDMKW-UHFFFAOYSA-N -1 3 393.491 3.811 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001574421810 948824458 /nfs/dbraw/zinc/82/44/58/948824458.db2.gz QDYAZQRBCMDMKW-UHFFFAOYSA-N -1 3 393.491 3.811 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001575503036 949039517 /nfs/dbraw/zinc/03/95/17/949039517.db2.gz NFOHRXYUTPMQOB-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001575503036 949039534 /nfs/dbraw/zinc/03/95/34/949039534.db2.gz NFOHRXYUTPMQOB-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nnn[n-]3)c2)C1 ZINC001574098510 949161164 /nfs/dbraw/zinc/16/11/64/949161164.db2.gz BOJBBKFEXHCVPQ-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nn[n-]n3)c2)C1 ZINC001574098510 949161174 /nfs/dbraw/zinc/16/11/74/949161174.db2.gz BOJBBKFEXHCVPQ-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC12CCCCC2 ZINC001574100653 949194978 /nfs/dbraw/zinc/19/49/78/949194978.db2.gz WCGQNUURZDKDOC-MRXNPFEDSA-N -1 3 375.423 3.576 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC12CCCCC2 ZINC001574100653 949194995 /nfs/dbraw/zinc/19/49/95/949194995.db2.gz WCGQNUURZDKDOC-MRXNPFEDSA-N -1 3 375.423 3.576 20 0 GHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575516198 949202452 /nfs/dbraw/zinc/20/24/52/949202452.db2.gz NMHKIGVDTMLYHS-FZKQIMNGSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575516198 949202465 /nfs/dbraw/zinc/20/24/65/949202465.db2.gz NMHKIGVDTMLYHS-FZKQIMNGSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576154898 949368835 /nfs/dbraw/zinc/36/88/35/949368835.db2.gz SCWGYDSJAYCLDH-DOTOQJQBSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576154898 949368856 /nfs/dbraw/zinc/36/88/56/949368856.db2.gz SCWGYDSJAYCLDH-DOTOQJQBSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001576170192 949709327 /nfs/dbraw/zinc/70/93/27/949709327.db2.gz KZASZBCADXEKTG-RYUDHWBXSA-N -1 3 392.301 3.575 20 0 GHADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001576170192 949709350 /nfs/dbraw/zinc/70/93/50/949709350.db2.gz KZASZBCADXEKTG-RYUDHWBXSA-N -1 3 392.301 3.575 20 0 GHADHM CC(C)(C)C1CC(NC(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001573824978 949860085 /nfs/dbraw/zinc/86/00/85/949860085.db2.gz JTSFCINIQVGONZ-UHFFFAOYSA-N -1 3 398.389 3.712 20 0 GHADHM CC(C)(C)C1CC(NC(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001573824978 949860099 /nfs/dbraw/zinc/86/00/99/949860099.db2.gz JTSFCINIQVGONZ-UHFFFAOYSA-N -1 3 398.389 3.712 20 0 GHADHM C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC12CCCCC2 ZINC001576182366 950047641 /nfs/dbraw/zinc/04/76/41/950047641.db2.gz ZGKICECSVWUPTL-MRXNPFEDSA-N -1 3 381.524 3.963 20 0 GHADHM C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC12CCCCC2 ZINC001576182366 950047658 /nfs/dbraw/zinc/04/76/58/950047658.db2.gz ZGKICECSVWUPTL-MRXNPFEDSA-N -1 3 381.524 3.963 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC001573876047 950656423 /nfs/dbraw/zinc/65/64/23/950656423.db2.gz BVKSYYOCVHQHFK-UHFFFAOYSA-N -1 3 377.448 3.714 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC001573876047 950656434 /nfs/dbraw/zinc/65/64/34/950656434.db2.gz BVKSYYOCVHQHFK-UHFFFAOYSA-N -1 3 377.448 3.714 20 0 GHADHM C[C@H]1CCc2c(C(=O)NC(C)(C)c3cccc(-c4nnn[n-]4)c3)csc2C1 ZINC001576216337 950727346 /nfs/dbraw/zinc/72/73/46/950727346.db2.gz HVEFUMRQPUAYLT-LBPRGKRZSA-N -1 3 381.505 3.718 20 0 GHADHM C[C@H]1CCc2c(C(=O)NC(C)(C)c3cccc(-c4nn[n-]n4)c3)csc2C1 ZINC001576216337 950727357 /nfs/dbraw/zinc/72/73/57/950727357.db2.gz HVEFUMRQPUAYLT-LBPRGKRZSA-N -1 3 381.505 3.718 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)c(-c3nnn[n-]3)cc2C1 ZINC001576216396 950732867 /nfs/dbraw/zinc/73/28/67/950732867.db2.gz IWKAEYDPOYPHBP-OLPMXTGOSA-N -1 3 388.475 3.519 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)c(-c3nn[n-]n3)cc2C1 ZINC001576216396 950732881 /nfs/dbraw/zinc/73/28/81/950732881.db2.gz IWKAEYDPOYPHBP-OLPMXTGOSA-N -1 3 388.475 3.519 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1cccc(F)c1 ZINC001576216930 950745007 /nfs/dbraw/zinc/74/50/07/950745007.db2.gz KEZCHMHXQYUQQH-QWHCGFSZSA-N -1 3 394.454 3.658 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1cccc(F)c1 ZINC001576216930 950745019 /nfs/dbraw/zinc/74/50/19/950745019.db2.gz KEZCHMHXQYUQQH-QWHCGFSZSA-N -1 3 394.454 3.658 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)s3)c(-c3nnn[n-]3)cc2C1 ZINC001576217378 950758821 /nfs/dbraw/zinc/75/88/21/950758821.db2.gz NHNGSHJONXIYEJ-LLVKDONJSA-N -1 3 396.520 3.998 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)s3)c(-c3nn[n-]n3)cc2C1 ZINC001576217378 950758835 /nfs/dbraw/zinc/75/88/35/950758835.db2.gz NHNGSHJONXIYEJ-LLVKDONJSA-N -1 3 396.520 3.998 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1Cl ZINC001573882080 950770045 /nfs/dbraw/zinc/77/00/45/950770045.db2.gz QZSBCDXJWRTJOM-INIZCTEOSA-N -1 3 395.894 3.715 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1Cl ZINC001573882080 950770057 /nfs/dbraw/zinc/77/00/57/950770057.db2.gz QZSBCDXJWRTJOM-INIZCTEOSA-N -1 3 395.894 3.715 20 0 GHADHM CC1(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c2ccccc2O1 ZINC001575631558 950778147 /nfs/dbraw/zinc/77/81/47/950778147.db2.gz PNEAAMNDSZIENN-CQSZACIVSA-N -1 3 383.839 3.804 20 0 GHADHM CC1(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC001575631558 950778163 /nfs/dbraw/zinc/77/81/63/950778163.db2.gz PNEAAMNDSZIENN-CQSZACIVSA-N -1 3 383.839 3.804 20 0 GHADHM C[C@H](CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC001575025095 951126275 /nfs/dbraw/zinc/12/62/75/951126275.db2.gz UYGIOABDILDQNC-CYBMUJFWSA-N -1 3 379.489 3.794 20 0 GHADHM C[C@H](CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC001575025095 951126283 /nfs/dbraw/zinc/12/62/83/951126283.db2.gz UYGIOABDILDQNC-CYBMUJFWSA-N -1 3 379.489 3.794 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc2c(c1)CC(C)(C)O2 ZINC001575187373 952439864 /nfs/dbraw/zinc/43/98/64/952439864.db2.gz BXLAVCHPQRUNLS-AWEZNQCLSA-N -1 3 392.459 3.502 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc2c(c1)CC(C)(C)O2 ZINC001575187373 952439868 /nfs/dbraw/zinc/43/98/68/952439868.db2.gz BXLAVCHPQRUNLS-AWEZNQCLSA-N -1 3 392.459 3.502 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC001575189313 952453902 /nfs/dbraw/zinc/45/39/02/952453902.db2.gz ODNWXOJYZYFBDL-GFCCVEGCSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC001575189313 952453906 /nfs/dbraw/zinc/45/39/06/952453906.db2.gz ODNWXOJYZYFBDL-GFCCVEGCSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@H](Cc1ccc(Br)c(F)c1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575191445 952467706 /nfs/dbraw/zinc/46/77/06/952467706.db2.gz WVFKGYQSXSVFEC-SECBINFHSA-N -1 3 394.223 3.951 20 0 GHADHM C[C@H](Cc1ccc(Br)c(F)c1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575191445 952467709 /nfs/dbraw/zinc/46/77/09/952467709.db2.gz WVFKGYQSXSVFEC-SECBINFHSA-N -1 3 394.223 3.951 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccc(-c3cccc(F)c3F)o1)O2 ZINC001594906003 954677542 /nfs/dbraw/zinc/67/75/42/954677542.db2.gz VRXPXMKZRGOLFT-JGOZLAPISA-N -1 3 377.387 3.727 20 0 GHADHM O=C([O-])/C=C\c1cc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)co1 ZINC000902269348 956691619 /nfs/dbraw/zinc/69/16/19/956691619.db2.gz JHWGHKJFFHZADS-GDWUOILNSA-N -1 3 382.460 3.552 20 0 GHADHM C[C@@H](NCc1nc(Cl)ccc1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603250927 972425317 /nfs/dbraw/zinc/42/53/17/972425317.db2.gz SXFKEZBYBLSPPH-KXUCPTDWSA-N -1 3 375.694 3.723 20 0 GHADHM Cc1ccc(F)cc1CN1CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1 ZINC001574368756 961059675 /nfs/dbraw/zinc/05/96/75/961059675.db2.gz FHIQPFUBSNSAGY-MRXNPFEDSA-N -1 3 394.487 3.668 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccc(F)cc1F ZINC001326534210 961105536 /nfs/dbraw/zinc/10/55/36/961105536.db2.gz QCHHHNICJFKHFU-LSDHHAIUSA-N -1 3 386.320 3.679 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001520135802 962812181 /nfs/dbraw/zinc/81/21/81/962812181.db2.gz PCUDUCNALBYUSP-KOSHJBKYSA-N -1 3 394.515 3.588 20 0 GHADHM C[C@](CC(=O)[O-])(NCc1ccnc(Cl)c1)c1ccc(Br)cc1 ZINC001592327953 977743325 /nfs/dbraw/zinc/74/33/25/977743325.db2.gz HBXYCQCBAXDWMV-MRXNPFEDSA-N -1 3 383.673 3.977 20 0 GHADHM O=c1cc(O[C@@H](c2ccccc2)c2cccc(Cl)c2)nc(N2CCOCC2)[n-]1 ZINC001226723198 1032094037 /nfs/dbraw/zinc/09/40/37/1032094037.db2.gz UHTDTNTUGFTAQV-FQEVSTJZSA-N -1 3 397.862 3.841 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(C(=O)N4CCCCC4)CC3)o2)cc1 ZINC000901417388 980263950 /nfs/dbraw/zinc/26/39/50/980263950.db2.gz OKRCVTDHCHSIJH-UHFFFAOYSA-N -1 3 396.487 3.869 20 0 GHADHM CC[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001595300694 980435706 /nfs/dbraw/zinc/43/57/06/980435706.db2.gz RSYABHNLYFCNDD-SFHVURJKSA-N -1 3 395.908 3.580 20 0 GHADHM CCCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595822258 982692676 /nfs/dbraw/zinc/69/26/76/982692676.db2.gz KWLIDMMXUCFSJS-SFHVURJKSA-N -1 3 396.491 3.688 20 0 GHADHM CCN1CC[C@@H](NCc2ccc(C(=O)[O-])cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596409558 983994076 /nfs/dbraw/zinc/99/40/76/983994076.db2.gz DJZIAYJANMXUIK-IEBWSBKVSA-N -1 3 396.384 3.866 20 0 GHADHM C[C@@H]1CN(Cc2ccc(CN(C)Cc3ccc(C(=O)[O-])s3)cc2)C[C@H](C)O1 ZINC001599929485 985282173 /nfs/dbraw/zinc/28/21/73/985282173.db2.gz XASIBSGUEQJAJK-IYBDPMFKSA-N -1 3 388.533 3.688 20 0 GHADHM CCOc1cc(CN2CC[C@H](CF)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030595 986445504 /nfs/dbraw/zinc/44/55/04/986445504.db2.gz FYUHZEGZIDAEFD-OAHLLOKOSA-N -1 3 377.412 3.747 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001589415389 986644740 /nfs/dbraw/zinc/64/47/40/986644740.db2.gz PFWIYRXSLZSNEZ-FUHWJXTLSA-N -1 3 398.478 3.798 20 0 GHADHM CCOc1ccccc1OCCN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001597185769 987051820 /nfs/dbraw/zinc/05/18/20/987051820.db2.gz YWBFZEUMDHWXLH-UHFFFAOYSA-N -1 3 390.505 3.574 20 0 GHADHM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001597593022 988423819 /nfs/dbraw/zinc/42/38/19/988423819.db2.gz KYXPUVNXYRZWOX-UHFFFAOYSA-N -1 3 395.503 3.730 20 0 GHADHM CCc1nnc(C2CCN(Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)CC2)[nH]1 ZINC001597663825 988745945 /nfs/dbraw/zinc/74/59/45/988745945.db2.gz UZPXRCHMXASQCY-UHFFFAOYSA-N -1 3 397.504 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001590005546 988953481 /nfs/dbraw/zinc/95/34/81/988953481.db2.gz XEHMHJIYZUVGCT-FQEVSTJZSA-N -1 3 378.469 3.591 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNCc1ccoc1C(=O)[O-] ZINC001590085127 989200940 /nfs/dbraw/zinc/20/09/40/989200940.db2.gz RDOWHAMFONOFAZ-KRWDZBQOSA-N -1 3 386.448 3.602 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(CNCc3csc(C(=O)[O-])c3)cc2C1 ZINC001590098897 989235637 /nfs/dbraw/zinc/23/56/37/989235637.db2.gz IMHYWEDEHDAITP-UHFFFAOYSA-N -1 3 388.489 3.987 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000468235584 1015466011 /nfs/dbraw/zinc/46/60/11/1015466011.db2.gz RFKIQKZNAGCPMG-FQEVSTJZSA-N -1 3 390.480 3.889 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(CCCCC(=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC001590267631 989664962 /nfs/dbraw/zinc/66/49/62/989664962.db2.gz IRWXAAHTZQVMDH-ZWKOTPCHSA-N -1 3 394.487 3.763 20 0 GHADHM CC(C)[C@@H](O)[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1 ZINC001591035687 991355491 /nfs/dbraw/zinc/35/54/91/991355491.db2.gz FGZSSUZNQALYDW-ZWKOTPCHSA-N -1 3 392.293 3.995 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000468373780 1015639959 /nfs/dbraw/zinc/63/99/59/1015639959.db2.gz NTJOXGDFQQYVSG-UHFFFAOYSA-N -1 3 391.489 3.943 20 0 GHADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001591210750 992045753 /nfs/dbraw/zinc/04/57/53/992045753.db2.gz AECZFUOIXFWJMX-CTNGQTDRSA-N -1 3 388.552 3.679 20 0 GHADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1Cc1oncc1C(=O)[O-] ZINC001591211129 992052598 /nfs/dbraw/zinc/05/25/98/992052598.db2.gz RGDWUQJSCJEFTI-LJQANCHMSA-N -1 3 385.508 3.538 20 0 GHADHM CN(CCCOCc1ccccc1)Cc1oc(Br)cc1C(=O)[O-] ZINC001598481961 992167044 /nfs/dbraw/zinc/16/70/44/992167044.db2.gz RIITWSIWBTWLPH-UHFFFAOYSA-N -1 3 382.254 3.779 20 0 GHADHM CN(C)c1ccccc1CN(C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598509181 992547155 /nfs/dbraw/zinc/54/71/55/992547155.db2.gz GIAQGHOJXKGDAI-UHFFFAOYSA-N -1 3 377.282 3.845 20 0 GHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001593190871 994129013 /nfs/dbraw/zinc/12/90/13/994129013.db2.gz XYBPNYOQKDABDA-ADLMAVQZSA-N -1 3 392.377 3.701 20 0 GHADHM C[C@@H](N[C@@H]1CCc2cccc3cccc1c32)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593232525 994385638 /nfs/dbraw/zinc/38/56/38/994385638.db2.gz NVDJQEOBGKFDNA-QVKFZJNVSA-N -1 3 388.467 3.820 20 0 GHADHM C[C@@H](NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ncc(C(=O)[O-])s1 ZINC001593245710 994439143 /nfs/dbraw/zinc/43/91/43/994439143.db2.gz AWUYKWMNMSRVGT-MFKMUULPSA-N -1 3 387.427 3.814 20 0 GHADHM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001593295919 994693548 /nfs/dbraw/zinc/69/35/48/994693548.db2.gz HZPJVBJLQZQFEJ-RNSXQGTASA-N -1 3 385.460 3.792 20 0 GHADHM COC(=O)[C@@H](C)[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001598690031 995050534 /nfs/dbraw/zinc/05/05/34/995050534.db2.gz VCYPPJTUKVLDOS-LIRRHRJNSA-N -1 3 378.428 3.573 20 0 GHADHM C[C@H](Nc1cccc(CN2CCSCC2)c1)c1ccccc1OCC(=O)[O-] ZINC001593366539 995050934 /nfs/dbraw/zinc/05/09/34/995050934.db2.gz YTRQDARXERGWOV-INIZCTEOSA-N -1 3 386.517 3.872 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1CCN(CC(F)(F)F)CC1 ZINC000468777237 1016022059 /nfs/dbraw/zinc/02/20/59/1016022059.db2.gz BHDYPCJFEJLBPT-UHFFFAOYSA-N -1 3 390.421 3.635 20 0 GHADHM COc1ccc([C@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)c1OC ZINC001599511562 997307814 /nfs/dbraw/zinc/30/78/14/997307814.db2.gz WCDUCSFPMREUAN-INIZCTEOSA-N -1 3 387.476 3.943 20 0 GHADHM COCCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001599235780 997943342 /nfs/dbraw/zinc/94/33/42/997943342.db2.gz PUAHTRNJLBLSRN-HONMWMINSA-N -1 3 381.341 3.681 20 0 GHADHM COc1cc(-c2nc(CN3[C@H](C)CC(C(=O)[O-])C[C@H]3C)cs2)ccc1O ZINC001599347258 998030683 /nfs/dbraw/zinc/03/06/83/998030683.db2.gz VBOMCNMYWUJQNV-VXGBXAGGSA-N -1 3 376.478 3.598 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1csc(C)c1C)CC2 ZINC001599466107 998363064 /nfs/dbraw/zinc/36/30/64/998363064.db2.gz ZIQZGKYNOGTELA-QGZVFWFLSA-N -1 3 375.490 3.956 20 0 GHADHM COC(=O)c1cccc([C@H](N[C@@H]2CCCc3sc(Cl)cc32)C(=O)[O-])c1 ZINC001598998544 998802985 /nfs/dbraw/zinc/80/29/85/998802985.db2.gz QIKIQJQCDQRLEL-CJNGLKHVSA-N -1 3 379.865 3.981 20 0 GHADHM CCS[C@H](C)c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000545777294 1016365548 /nfs/dbraw/zinc/36/55/48/1016365548.db2.gz NJGGVQGHIFMJOV-GFCCVEGCSA-N -1 3 385.511 3.613 20 0 GHADHM CCOC(=O)CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000469062394 1016394464 /nfs/dbraw/zinc/39/44/64/1016394464.db2.gz SSYINUDKOUSZCI-UHFFFAOYSA-N -1 3 379.472 3.874 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)c(C)c1C ZINC000469143561 1016550767 /nfs/dbraw/zinc/55/07/67/1016550767.db2.gz WSKNYAVVXUIBNF-UHFFFAOYSA-N -1 3 387.461 3.937 20 0 GHADHM COc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc(Cl)c1[O-] ZINC000546593315 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CCc1noc(-c2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)c(Cl)c2)n1 ZINC001138172894 1024295102 /nfs/dbraw/zinc/29/51/02/1024295102.db2.gz XFRBPCSRJOWSRY-UHFFFAOYSA-N -1 3 386.774 3.615 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc(F)cc1F ZINC001138175154 1024300280 /nfs/dbraw/zinc/30/02/80/1024300280.db2.gz JHMYVYCYSDYNBI-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1C[C@@H]1c1ccccc1 ZINC001138176432 1024306477 /nfs/dbraw/zinc/30/64/77/1024306477.db2.gz GEBLTJGYUYRRSW-OLZOCXBDSA-N -1 3 379.197 3.739 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(-c2cccc(Br)c2)no1 ZINC001141302037 1024463483 /nfs/dbraw/zinc/46/34/83/1024463483.db2.gz MBWUXPXTYQALRM-UHFFFAOYSA-N -1 3 399.204 3.938 20 0 GHADHM COc1ccc2onc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])c2c1 ZINC001156732091 1033212993 /nfs/dbraw/zinc/21/29/93/1033212993.db2.gz CGUFPIHHHNGRPR-UHFFFAOYSA-N -1 3 384.388 3.750 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000831395885 1024539814 /nfs/dbraw/zinc/53/98/14/1024539814.db2.gz ZTLGZHYUIOTBAP-BTYIYWSLSA-N -1 3 384.407 3.519 20 0 GHADHM CC(C)(CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC001141397198 1024873359 /nfs/dbraw/zinc/87/33/59/1024873359.db2.gz WPJLJYKORQZOMV-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001141398915 1024883503 /nfs/dbraw/zinc/88/35/03/1024883503.db2.gz MWCRVOZMPPUYBB-OAHLLOKOSA-N -1 3 382.869 3.508 20 0 GHADHM COCc1ccccc1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001141427822 1025016669 /nfs/dbraw/zinc/01/66/69/1025016669.db2.gz IFIGFKBYTXUPDK-UHFFFAOYSA-N -1 3 377.466 3.567 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001138556746 1025017296 /nfs/dbraw/zinc/01/72/96/1025017296.db2.gz HUNNVSJGHDNGEX-QGZVFWFLSA-N -1 3 383.469 3.853 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001141436632 1025052861 /nfs/dbraw/zinc/05/28/61/1025052861.db2.gz DCZVSFNRURDYJT-AWEZNQCLSA-N -1 3 389.249 3.667 20 0 GHADHM CCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H](C)Cc1ccsc1 ZINC001138601920 1025086358 /nfs/dbraw/zinc/08/63/58/1025086358.db2.gz BEENCHHLSLVLMP-NSHDSACASA-N -1 3 376.428 3.961 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000838375013 1025093415 /nfs/dbraw/zinc/09/34/15/1025093415.db2.gz OEKLCQUKLIYREP-UHFFFAOYSA-N -1 3 392.858 3.972 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000832141210 1025254622 /nfs/dbraw/zinc/25/46/22/1025254622.db2.gz DOQAHAAVTVLFOP-ZDUSSCGKSA-N -1 3 384.712 3.795 20 0 GHADHM O=c1cc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)nc(C2CC2)[n-]1 ZINC000838868558 1025406402 /nfs/dbraw/zinc/40/64/02/1025406402.db2.gz NMQKGUUILGANGF-IBGZPJMESA-N -1 3 381.501 3.857 20 0 GHADHM CCOC(=O)[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1cccc(C)c1C ZINC000839143209 1025638448 /nfs/dbraw/zinc/63/84/48/1025638448.db2.gz GIAIXUYMVJLWJT-OAQYLSRUSA-N -1 3 395.455 3.818 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3c(F)ccc(Br)c3C2)cc1[O-] ZINC001141587205 1025734053 /nfs/dbraw/zinc/73/40/53/1025734053.db2.gz ADBIRDZIRNYVMA-UHFFFAOYSA-N -1 3 392.224 3.695 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000832755616 1025922559 /nfs/dbraw/zinc/92/25/59/1025922559.db2.gz APRBKVKYOKGZIK-TZMCWYRMSA-N -1 3 388.320 3.650 20 0 GHADHM CC1=Nc2ccc3cc(-n4c5[n-]c(=O)sc5c(=O)nc4N)ccc3c2C1(C)C ZINC001163048510 1026025835 /nfs/dbraw/zinc/02/58/35/1026025835.db2.gz PKJCDYZQPDQELB-UHFFFAOYSA-N -1 3 391.456 3.909 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001141691546 1026260076 /nfs/dbraw/zinc/26/00/76/1026260076.db2.gz WUEDAHPQRWSGIG-UHFFFAOYSA-N -1 3 397.287 3.503 20 0 GHADHM COc1cc(SC)ccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001139600445 1026463282 /nfs/dbraw/zinc/46/32/82/1026463282.db2.gz JVKTVJANMQKZRD-UHFFFAOYSA-N -1 3 376.384 3.789 20 0 GHADHM COC(=O)[C@@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]1c1ccccc1 ZINC001165207708 1026667447 /nfs/dbraw/zinc/66/74/47/1026667447.db2.gz PGMLXFSEVAIXOT-BXUZGUMPSA-N -1 3 399.850 3.704 20 0 GHADHM COC(=O)[C@@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001461134888 1069407628 /nfs/dbraw/zinc/40/76/28/1069407628.db2.gz GJORONKTKUMCOF-GFCCVEGCSA-N -1 3 377.815 3.534 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccccc1Nc1cccc([O-])c1Br ZINC001202981072 1026718362 /nfs/dbraw/zinc/71/83/62/1026718362.db2.gz DHZXEJQJFZPXAX-UHFFFAOYSA-N -1 3 399.310 3.975 20 0 GHADHM O=C(NCc1ccc2occc2c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001165765766 1026826543 /nfs/dbraw/zinc/82/65/43/1026826543.db2.gz RIGGSVVOCYZEAF-UHFFFAOYSA-N -1 3 397.228 3.967 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC)c(OC(C)C)c1)OCC ZINC001203012866 1026988996 /nfs/dbraw/zinc/98/89/96/1026988996.db2.gz RCAPLTMPSCLEAW-UHFFFAOYSA-N -1 3 391.468 3.663 20 0 GHADHM O=c1[n-]c(SCc2cncc(Cl)c2)nc2c1cnn2Cc1ccccc1 ZINC001166556284 1027026530 /nfs/dbraw/zinc/02/65/30/1027026530.db2.gz AHCNRONBWPCNPU-UHFFFAOYSA-N -1 3 383.864 3.921 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001209855513 1027247987 /nfs/dbraw/zinc/24/79/87/1027247987.db2.gz VKTMJNZIQJLURD-XHDPSFHLSA-N -1 3 389.304 3.751 20 0 GHADHM CCCCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N)c(C)c2)cc1 ZINC001209918324 1027274982 /nfs/dbraw/zinc/27/49/82/1027274982.db2.gz QTBXHZREJIZTHT-UHFFFAOYSA-N -1 3 377.466 3.727 20 0 GHADHM O=S(=O)(C[C@H]1CC[C@H](C2CC2)O1)[N-]C(c1cccs1)c1cccs1 ZINC001210012417 1027313941 /nfs/dbraw/zinc/31/39/41/1027313941.db2.gz WCSXZNMUUOVKKJ-ZIAGYGMSSA-N -1 3 383.560 3.776 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1F ZINC001141819433 1027357810 /nfs/dbraw/zinc/35/78/10/1027357810.db2.gz VRJBVRBWQYPIMB-UHFFFAOYSA-N -1 3 389.362 3.835 20 0 GHADHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001210192423 1027381427 /nfs/dbraw/zinc/38/14/27/1027381427.db2.gz LLDCJTQVFUYIKT-ZDUSSCGKSA-N -1 3 385.835 3.578 20 0 GHADHM CC(C)(C)OC(=O)Cn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001210827171 1027665533 /nfs/dbraw/zinc/66/55/33/1027665533.db2.gz AOLRWZLMMZCLEO-UHFFFAOYSA-N -1 3 393.241 3.872 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)Cc2ccccc2C1 ZINC001210970782 1027729707 /nfs/dbraw/zinc/72/97/07/1027729707.db2.gz AAJADRADRJOEKR-UHFFFAOYSA-N -1 3 398.297 3.672 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001142039725 1027931506 /nfs/dbraw/zinc/93/15/06/1027931506.db2.gz UWGJSVSZZQISSU-UHFFFAOYSA-N -1 3 384.173 3.904 20 0 GHADHM CN1CCN(Cc2ccc(Nc3ccc(C(=O)[O-])c(C(F)(F)F)c3)cc2)CC1 ZINC001211485662 1027982812 /nfs/dbraw/zinc/98/28/12/1027982812.db2.gz KGQBEFDPBMTUTP-UHFFFAOYSA-N -1 3 393.409 3.895 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000840998471 1028031689 /nfs/dbraw/zinc/03/16/89/1028031689.db2.gz DEXGQEPKQFPQJS-GOSISDBHSA-N -1 3 382.291 3.843 20 0 GHADHM O=c1cc(-c2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)nc(C2CC2)[n-]1 ZINC001213261544 1028075982 /nfs/dbraw/zinc/07/59/82/1028075982.db2.gz VSTRSSNNKSLGKH-UHFFFAOYSA-N -1 3 375.363 3.978 20 0 GHADHM O=S(=O)([N-]Cc1ccc2cccnc2c1)c1ccc(Br)cc1F ZINC001213369524 1028143287 /nfs/dbraw/zinc/14/32/87/1028143287.db2.gz VHBYMEZHHHUDPM-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1cccc(OC)c1OC ZINC001213466306 1028206620 /nfs/dbraw/zinc/20/66/20/1028206620.db2.gz VIXHNHFIMGEPLE-AWEZNQCLSA-N -1 3 381.519 3.855 20 0 GHADHM Fc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1I ZINC001213501036 1028228674 /nfs/dbraw/zinc/22/86/74/1028228674.db2.gz XZRUVTHXFFDHHW-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM Fc1ccc(I)c(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213501010 1028228929 /nfs/dbraw/zinc/22/89/29/1028228929.db2.gz WWTKZQXPUZHFQK-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM CCOc1cc(Br)c(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1OC ZINC001213500583 1028229824 /nfs/dbraw/zinc/22/98/24/1028229824.db2.gz KDYZXHHXTRQPAY-UHFFFAOYSA-N -1 3 399.632 3.950 20 0 GHADHM Cc1nccnc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001213603221 1028289971 /nfs/dbraw/zinc/28/99/71/1028289971.db2.gz RHNRPGNVUZIUDY-QMMMGPOBSA-N -1 3 380.684 3.785 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2C2CC2)c(F)cc1Br ZINC001213693290 1028334397 /nfs/dbraw/zinc/33/43/97/1028334397.db2.gz VGYYDWLDABGWFZ-NEPJUHHUSA-N -1 3 376.291 3.611 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)[C@H]2C[C@@H]2C)ccc1F ZINC000841308256 1028400851 /nfs/dbraw/zinc/40/08/51/1028400851.db2.gz NWCRQPDOLWGRHA-KSSFIOAISA-N -1 3 390.480 3.568 20 0 GHADHM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)O1 ZINC001213954912 1028471080 /nfs/dbraw/zinc/47/10/80/1028471080.db2.gz BEROGQXEDSBFKT-LLVKDONJSA-N -1 3 385.835 3.985 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(Br)ccc3C)no2)[n-]1 ZINC001213974992 1028483753 /nfs/dbraw/zinc/48/37/53/1028483753.db2.gz LLWYGKRNRWEGMO-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM CCCOc1cc(F)ccc1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001214079471 1028538590 /nfs/dbraw/zinc/53/85/90/1028538590.db2.gz BMGKBYRQLNQNRV-UHFFFAOYSA-N -1 3 379.432 3.795 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)cc1I ZINC001214085001 1028541022 /nfs/dbraw/zinc/54/10/22/1028541022.db2.gz BWEQYNIQDAGOHK-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2cccc(F)c2I)no1 ZINC001215142101 1029055206 /nfs/dbraw/zinc/05/52/06/1029055206.db2.gz LFAFDFDFSCGXJN-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM Cn1cc(Cl)c(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)ns2)n1 ZINC001461481187 1069569728 /nfs/dbraw/zinc/56/97/28/1069569728.db2.gz RKOSCRKCGUTQOI-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM CCc1cccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)c1[O-] ZINC001142631281 1029182681 /nfs/dbraw/zinc/18/26/81/1029182681.db2.gz NGKKOCXPBKZWQF-UXLLHSPISA-N -1 3 390.524 3.966 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000182714274 1029185280 /nfs/dbraw/zinc/18/52/80/1029185280.db2.gz BCZCWGWTLKTKCD-SJORKVTESA-N -1 3 383.341 3.712 20 0 GHADHM CN(C[C@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001142663502 1029227170 /nfs/dbraw/zinc/22/71/70/1029227170.db2.gz NHRGCBAUQJSOAW-CYBMUJFWSA-N -1 3 382.888 3.727 20 0 GHADHM Cc1cc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)ccc1Br ZINC001216116174 1029530751 /nfs/dbraw/zinc/53/07/51/1029530751.db2.gz ARZSVXABNHBFFU-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)ccc1Br ZINC001216116174 1029530762 /nfs/dbraw/zinc/53/07/62/1029530762.db2.gz ARZSVXABNHBFFU-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cc4cc[nH]c(=O)c4s3)n[nH]2)cc1 ZINC001142839185 1029559222 /nfs/dbraw/zinc/55/92/22/1029559222.db2.gz FQQTZJWVKJYGST-UHFFFAOYSA-N -1 3 393.472 3.925 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cnn1-c1cccc(C)c1 ZINC001142864923 1029603684 /nfs/dbraw/zinc/60/36/84/1029603684.db2.gz MJUPWMAZNYFNNF-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM COc1ccc(-c2noc(-c3cc([O-])cc(Br)c3)n2)c(OC)c1 ZINC001216379814 1029618130 /nfs/dbraw/zinc/61/81/30/1029618130.db2.gz SDGPDNUNPHIZSF-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1ccc(I)cc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216737327 1029912537 /nfs/dbraw/zinc/91/25/37/1029912537.db2.gz ZBZQJFKDNQUHPS-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001222115331 1029969434 /nfs/dbraw/zinc/96/94/34/1029969434.db2.gz QFSWPKSIUQALJE-IIAWOOMASA-N -1 3 397.441 3.947 20 0 GHADHM Cc1nc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nc2ccccc12 ZINC001143274106 1029973497 /nfs/dbraw/zinc/97/34/97/1029973497.db2.gz ZNKCXLMNORWJST-UHFFFAOYSA-N -1 3 399.476 3.672 20 0 GHADHM Cc1c(Br)cccc1-c1noc(-c2cccc(OCCO)c2[O-])n1 ZINC001216957978 1030031394 /nfs/dbraw/zinc/03/13/94/1030031394.db2.gz BDSCJLCVJNYQIB-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCc3nn(-c4ccccc4)cc3C2)c1[O-] ZINC001149198826 1030088576 /nfs/dbraw/zinc/08/85/76/1030088576.db2.gz VGTIENJJEWFEIS-UHFFFAOYSA-N -1 3 384.439 3.633 20 0 GHADHM Cc1ccc([C@]2(C)CN(C(=O)c3c([O-])c(C)nc4ccccc43)CCO2)cc1 ZINC001149197791 1030088832 /nfs/dbraw/zinc/08/88/32/1030088832.db2.gz PKKRQDWFARBJGZ-QHCPKHFHSA-N -1 3 376.456 3.945 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2nccc(OC)c2F)no1 ZINC001217298771 1030292377 /nfs/dbraw/zinc/29/23/77/1030292377.db2.gz BEJJBPYXZDFAHH-UHFFFAOYSA-N -1 3 382.351 3.604 20 0 GHADHM COc1cc(-c2noc(-c3[n-]nc4c3cccc4F)n2)ccc1-n1cnc(C)c1 ZINC001217323154 1030309259 /nfs/dbraw/zinc/30/92/59/1030309259.db2.gz PBLCKOONMMKWKT-UHFFFAOYSA-N -1 3 390.378 3.922 20 0 GHADHM COc1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)c(C(F)(F)F)c1 ZINC001217354552 1030331201 /nfs/dbraw/zinc/33/12/01/1030331201.db2.gz GSELFAGQEDDKMK-UHFFFAOYSA-N -1 3 389.289 3.566 20 0 GHADHM COc1ncc(-c2noc(-c3c([O-])cnc4ccccc43)n2)cc1Br ZINC001217441069 1030394213 /nfs/dbraw/zinc/39/42/13/1030394213.db2.gz FYUDAVAKIMHBOI-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc5scnc5c4)no3)c21 ZINC001217512851 1030455787 /nfs/dbraw/zinc/45/57/87/1030455787.db2.gz RNZYVTZOZBVANI-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1nc(-c2cn(CC3CC3)cn2)n2ccccc12 ZINC001150366338 1030507896 /nfs/dbraw/zinc/50/78/96/1030507896.db2.gz GKZBHGMJOOEBLA-UHFFFAOYSA-N -1 3 391.406 3.705 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H](C)c3ncccc3F)nc21 ZINC001223405142 1030557661 /nfs/dbraw/zinc/55/76/61/1030557661.db2.gz YPRAIWRGCZHQGJ-HUTHGQBESA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H](C)c3ncccc3F)[n-]c21 ZINC001223405142 1030557670 /nfs/dbraw/zinc/55/76/70/1030557670.db2.gz YPRAIWRGCZHQGJ-HUTHGQBESA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H]3CCC(=O)CC3(C)C)nc21 ZINC001223405097 1030558284 /nfs/dbraw/zinc/55/82/84/1030558284.db2.gz XTJHWGKWWMNSFR-FZKQIMNGSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H]3CCC(=O)CC3(C)C)[n-]c21 ZINC001223405097 1030558300 /nfs/dbraw/zinc/55/83/00/1030558300.db2.gz XTJHWGKWWMNSFR-FZKQIMNGSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H](C)c3ncccc3F)nc21 ZINC001223405144 1030558663 /nfs/dbraw/zinc/55/86/63/1030558663.db2.gz YPRAIWRGCZHQGJ-XLFHBGCDSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H](C)c3ncccc3F)[n-]c21 ZINC001223405144 1030558668 /nfs/dbraw/zinc/55/86/68/1030558668.db2.gz YPRAIWRGCZHQGJ-XLFHBGCDSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(OC)ccc2Cl)no1 ZINC001217636914 1030559950 /nfs/dbraw/zinc/55/99/50/1030559950.db2.gz QCGQAHPXZHGLES-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM O=c1c(OC2CC3(C2)CC[NH2+]CC3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218105242 1030775091 /nfs/dbraw/zinc/77/50/91/1030775091.db2.gz VRISVRQYRFAXJC-UHFFFAOYSA-N -1 3 393.439 3.782 20 0 GHADHM COc1cccc([O-])c1C(=O)NCC(C)(C)c1ccccc1Br ZINC001151437623 1030909781 /nfs/dbraw/zinc/90/97/81/1030909781.db2.gz PTJLJALNIDZRNM-UHFFFAOYSA-N -1 3 378.266 3.871 20 0 GHADHM CCCc1[nH]ccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001152118120 1031108143 /nfs/dbraw/zinc/10/81/43/1031108143.db2.gz FCZZMZVFDXKLQF-ZDUSSCGKSA-N -1 3 393.409 3.780 20 0 GHADHM O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc2sccc2c([O-])c1 ZINC001152137463 1031117092 /nfs/dbraw/zinc/11/70/92/1031117092.db2.gz XKNHQIJLEBNZTD-AWEZNQCLSA-N -1 3 392.274 3.833 20 0 GHADHM O=C1N(CC2CCCC2)CC[C@@]12CCN(Cc1cc(F)c([O-])c(Cl)c1)C2 ZINC001276998823 1031131370 /nfs/dbraw/zinc/13/13/70/1031131370.db2.gz UYXBFZXASNLAKT-HXUWFJFHSA-N -1 3 380.891 3.799 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C(C)C)c1 ZINC001152612146 1031303788 /nfs/dbraw/zinc/30/37/88/1031303788.db2.gz IEXQBIHGBCJTIE-GOSISDBHSA-N -1 3 385.464 3.982 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001153474430 1031607234 /nfs/dbraw/zinc/60/72/34/1031607234.db2.gz YQSOCVRPEUXVRE-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225849791 1031649959 /nfs/dbraw/zinc/64/99/59/1031649959.db2.gz BJPMRBFOHRAZPS-KBVBSXBZSA-N -1 3 391.415 3.561 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2C[C@H]3CC[C@@H]([C@H]2F)N3C(=O)OC(C)(C)C)c1 ZINC001225999566 1031735324 /nfs/dbraw/zinc/73/53/24/1031735324.db2.gz YAONYAXNPMGNAX-IDCJVQTKSA-N -1 3 379.428 3.852 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc2ccc(C(F)(F)F)cc2c1 ZINC001153826706 1031760095 /nfs/dbraw/zinc/76/00/95/1031760095.db2.gz IJDKULOPWSDPIJ-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnc2ccc(C(F)(F)F)cc2c1 ZINC001153826706 1031760105 /nfs/dbraw/zinc/76/01/05/1031760105.db2.gz IJDKULOPWSDPIJ-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CC(C)(CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O)CC1CC1 ZINC001153881657 1031790503 /nfs/dbraw/zinc/79/05/03/1031790503.db2.gz SBYNLVJJFSFGEG-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226116409 1031795580 /nfs/dbraw/zinc/79/55/80/1031795580.db2.gz BXRURXMIELDTDV-ZIAGYGMSSA-N -1 3 383.489 3.759 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]c(=S)ncc3C3CC3)C[C@@H]21 ZINC001226120155 1031797207 /nfs/dbraw/zinc/79/72/07/1031797207.db2.gz QOOJPOLMUONHOJ-NFAWXSAZSA-N -1 3 377.510 3.810 20 0 GHADHM Cc1ccc([C@]2(C)CN(C(=O)c3c(O)cc4ccccc4c3[O-])CCO2)cc1 ZINC001154025292 1031882353 /nfs/dbraw/zinc/88/23/53/1031882353.db2.gz DARYIDQRPQSWQW-QHCPKHFHSA-N -1 3 377.440 3.947 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cccc2c1CCC2 ZINC001154104681 1031927897 /nfs/dbraw/zinc/92/78/97/1031927897.db2.gz UJVAQUIDCKXGKF-UHFFFAOYSA-N -1 3 379.197 3.738 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])C(F)(F)c1ccccc1 ZINC001154103795 1031928140 /nfs/dbraw/zinc/92/81/40/1031928140.db2.gz FMXGEUONJHOWRZ-UHFFFAOYSA-N -1 3 389.139 3.727 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(C(F)(F)F)nc1 ZINC001154171261 1031966869 /nfs/dbraw/zinc/96/68/69/1031966869.db2.gz LOEQRVKOKWOARG-QMMMGPOBSA-N -1 3 397.303 3.711 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccc(F)cc1 ZINC001226486758 1031978298 /nfs/dbraw/zinc/97/82/98/1031978298.db2.gz XOJSFLATTCXQOX-QGZVFWFLSA-N -1 3 398.333 3.758 20 0 GHADHM C[C@@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1cccc(Br)n1 ZINC001226550090 1032007938 /nfs/dbraw/zinc/00/79/38/1032007938.db2.gz LZWYRRLNIYEVIY-SSDOTTSWSA-N -1 3 381.617 3.681 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2cccc([O-])c2Br)C1 ZINC001229139429 1033303194 /nfs/dbraw/zinc/30/31/94/1033303194.db2.gz FZBXXZVDZQXHEJ-GWCFXTLKSA-N -1 3 390.249 3.881 20 0 GHADHM COC(=O)[C@@]1(C)C[C@@H](Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229266735 1033378925 /nfs/dbraw/zinc/37/89/25/1033378925.db2.gz DVOBBGJQLRJJGX-XLOAEROZSA-N -1 3 380.396 3.886 20 0 GHADHM COC(=O)C1(C)CC(Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229266734 1033379228 /nfs/dbraw/zinc/37/92/28/1033379228.db2.gz DVOBBGJQLRJJGX-UHFFFAOYSA-N -1 3 380.396 3.886 20 0 GHADHM C[C@@H](NC(=O)CCSc1cccc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157231954 1033483924 /nfs/dbraw/zinc/48/39/24/1033483924.db2.gz AEMIQIOKRRWYSN-MRVPVSSYSA-N -1 3 378.807 3.837 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001157233774 1033486127 /nfs/dbraw/zinc/48/61/27/1033486127.db2.gz KVZINYXAFRNFRT-JGVFFNPUSA-N -1 3 380.292 3.823 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc3c2CCCC3)no1 ZINC001206059927 1033703165 /nfs/dbraw/zinc/70/31/65/1033703165.db2.gz KPGATLFHJIWIQL-HNNXBMFYSA-N -1 3 397.500 3.796 20 0 GHADHM O=c1nc(O[C@@H]2CCCc3cccnc32)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230187570 1033936059 /nfs/dbraw/zinc/93/60/59/1033936059.db2.gz ALAACOBJAMIQSB-HXUWFJFHSA-N -1 3 388.471 3.592 20 0 GHADHM CO[C@@H](COc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccccc1 ZINC001230187936 1033936601 /nfs/dbraw/zinc/93/66/01/1033936601.db2.gz CZISGYCSZQPJNV-NRFANRHFSA-N -1 3 391.471 3.507 20 0 GHADHM O=C(c1ccc(Cl)cc1)c1ccc([O-])c(O[C@@H]2[C@H]3C[C@@H]4C(=O)O[C@@H]2[C@H]4C3)c1 ZINC001230451908 1034065835 /nfs/dbraw/zinc/06/58/35/1034065835.db2.gz AMKFBVFTKKPWGZ-DMIHOJOZSA-N -1 3 384.815 3.605 20 0 GHADHM COc1ccccc1-c1nnc([N-]C(=O)c2oc3ccccc3c2CO)s1 ZINC001159005843 1034377828 /nfs/dbraw/zinc/37/78/28/1034377828.db2.gz WGBCUACRPFLNJA-UHFFFAOYSA-N -1 3 381.413 3.705 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231075375 1034379993 /nfs/dbraw/zinc/37/99/93/1034379993.db2.gz APYPPAPFYBMRAF-SFHVURJKSA-N -1 3 393.447 3.738 20 0 GHADHM [O-]c1cc(Br)c(OC2CCN(CCF)CC2)cc1Br ZINC001231243012 1034481087 /nfs/dbraw/zinc/48/10/87/1034481087.db2.gz PNOOBSZUPIXQAI-UHFFFAOYSA-N -1 3 397.082 3.730 20 0 GHADHM CCN(Cc1cccc(F)c1OC(F)(F)F)Cc1c([O-])c(C)ncc1CO ZINC001207623164 1034493134 /nfs/dbraw/zinc/49/31/34/1034493134.db2.gz SAZCZGCAZLYBAZ-UHFFFAOYSA-N -1 3 388.361 3.648 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3CCOc4ccccc43)n[n-]2)cc1 ZINC001159364109 1034565946 /nfs/dbraw/zinc/56/59/46/1034565946.db2.gz WEKUSCVQGBWPPS-INIZCTEOSA-N -1 3 380.473 3.910 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccc(C(=O)[O-])s2)C2CC2)C1 ZINC001231465304 1034610339 /nfs/dbraw/zinc/61/03/39/1034610339.db2.gz IKGSYFYXZWOZRS-AWEZNQCLSA-N -1 3 380.510 3.810 20 0 GHADHM [O-]c1ccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1C(F)(F)F ZINC001231523827 1034675166 /nfs/dbraw/zinc/67/51/66/1034675166.db2.gz ZIYVATIBCZMPGZ-YTQUADARSA-N -1 3 394.393 3.617 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N(C)C)c(F)cc1F ZINC001208016451 1034706817 /nfs/dbraw/zinc/70/68/17/1034706817.db2.gz NUWTUINIYIGNLB-INIZCTEOSA-N -1 3 388.867 3.508 20 0 GHADHM COc1cc(C)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C(C)C ZINC001231628567 1034786142 /nfs/dbraw/zinc/78/61/42/1034786142.db2.gz DOUXTEPUXMRHPT-UHFFFAOYSA-N -1 3 382.504 3.791 20 0 GHADHM CC[C@@H](C)N1CC[C@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277547328 1034816779 /nfs/dbraw/zinc/81/67/79/1034816779.db2.gz FPVAAZPNHUUECX-FZKQIMNGSA-N -1 3 381.314 3.520 20 0 GHADHM OC[C@@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC001159994489 1034820210 /nfs/dbraw/zinc/82/02/10/1034820210.db2.gz ICBIDJZTOFYEPX-SECBINFHSA-N -1 3 399.772 3.810 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CCC2(CCCNC2=O)CC1 ZINC001231679495 1034829873 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3 384.851 3.512 20 0 GHADHM Cc1ccc(OCCC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001208795169 1035026026 /nfs/dbraw/zinc/02/60/26/1035026026.db2.gz JQONHFZHPGCGDI-UHFFFAOYSA-N -1 3 388.514 3.866 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3n[nH]cc3Br)n2)cc1 ZINC001160855517 1035079956 /nfs/dbraw/zinc/07/99/56/1035079956.db2.gz KTWWAKMHZBIHDL-UHFFFAOYSA-N -1 3 396.295 3.665 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@@H](NCc2ccccc2)C(F)(F)F)c([O-])c1 ZINC001161360651 1035216392 /nfs/dbraw/zinc/21/63/92/1035216392.db2.gz RUTBEAUTPLIJRJ-GOSISDBHSA-N -1 3 380.410 3.966 20 0 GHADHM O=C(Nc1ccc2ccc(Cl)nc2n1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001161697436 1035286770 /nfs/dbraw/zinc/28/67/70/1035286770.db2.gz VYVMMKWXFZEOBP-UHFFFAOYSA-N -1 3 386.745 3.655 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3nnc(-c4c(F)cccc4F)s3)c(=O)c2c1 ZINC001161721586 1035290438 /nfs/dbraw/zinc/29/04/38/1035290438.db2.gz ZSYNEWPVJYTTHD-UHFFFAOYSA-N -1 3 398.394 3.886 20 0 GHADHM COc1ccc(Cn2cc3[nH]c(-c4c(F)ccc([O-])c4F)ccc-3c2=O)cc1 ZINC001241290839 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AMMAPWSJPUGUSQ-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM O=C(c1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(Cl)c1)N1CCCCC1 ZINC001243515350 1036188330 /nfs/dbraw/zinc/18/83/30/1036188330.db2.gz RYCNRIZFMZRTSX-UHFFFAOYSA-N -1 3 381.867 3.737 20 0 GHADHM O=C(c1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(Cl)c1)N1CCCCC1 ZINC001243515350 1036188340 /nfs/dbraw/zinc/18/83/40/1036188340.db2.gz RYCNRIZFMZRTSX-UHFFFAOYSA-N -1 3 381.867 3.737 20 0 GHADHM O=C(c1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(Cl)c1)N1CCCCC1 ZINC001243518314 1036191914 /nfs/dbraw/zinc/19/19/14/1036191914.db2.gz PZVMTTZHECIIFY-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM O=C(c1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(Cl)c1)N1CCCCC1 ZINC001243518314 1036191916 /nfs/dbraw/zinc/19/19/16/1036191916.db2.gz PZVMTTZHECIIFY-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM O=c1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nn1Cc1cccc(F)c1 ZINC001244466913 1036515644 /nfs/dbraw/zinc/51/56/44/1036515644.db2.gz GWNSUWKMSZMZGC-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM COc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3[O-])ccc2=O)cc1 ZINC001244468451 1036517205 /nfs/dbraw/zinc/51/72/05/1036517205.db2.gz XFQNIHLGDBRDSM-UHFFFAOYSA-N -1 3 378.306 3.512 20 0 GHADHM COc1ccc(Br)cc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247564358 1038250460 /nfs/dbraw/zinc/25/04/60/1038250460.db2.gz HBNAGXVAXHWIRX-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM [O-]c1c(F)cc(CN2CCN(CCc3cccs3)CC2)cc1Br ZINC001232633608 1038419304 /nfs/dbraw/zinc/41/93/04/1038419304.db2.gz TWGHYRVSVHIREU-UHFFFAOYSA-N -1 3 399.329 3.716 20 0 GHADHM [O-]c1cccc(CN2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1Cl ZINC001232787666 1038554329 /nfs/dbraw/zinc/55/43/29/1038554329.db2.gz QEPWBASYIUAVAS-OAHLLOKOSA-N -1 3 392.858 3.782 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1Cl ZINC001232787851 1038554570 /nfs/dbraw/zinc/55/45/70/1038554570.db2.gz SUDDHLOLNXYBON-NLWGTHIKSA-N -1 3 388.895 3.779 20 0 GHADHM COc1cccc2c1CCN(Cc1ccc([O-])c(I)c1)C2 ZINC001232874788 1038643150 /nfs/dbraw/zinc/64/31/50/1038643150.db2.gz SXXBWQHUBFYDGK-UHFFFAOYSA-N -1 3 395.240 3.564 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cncc(-c2ccccc2)c1 ZINC001232903216 1038700579 /nfs/dbraw/zinc/70/05/79/1038700579.db2.gz IPCAJQOVGAIFSA-IBGZPJMESA-N -1 3 381.476 3.764 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232968454 1038741023 /nfs/dbraw/zinc/74/10/23/1038741023.db2.gz BRBHNNWEXPJUPX-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232971501 1038743872 /nfs/dbraw/zinc/74/38/72/1038743872.db2.gz DKQZSCBZGRPNNN-INIZCTEOSA-N -1 3 392.446 3.519 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCCN2Cc2cc(Cl)ncc2[O-])CC1 ZINC001233032452 1038784239 /nfs/dbraw/zinc/78/42/39/1038784239.db2.gz LCGTURVSKLFHJW-UHFFFAOYSA-N -1 3 381.904 3.806 20 0 GHADHM [O-]c1cccc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1F ZINC001233052150 1038809942 /nfs/dbraw/zinc/80/99/42/1038809942.db2.gz ZUDOPZHVMDRDDJ-GOSISDBHSA-N -1 3 385.483 3.664 20 0 GHADHM O=C(NC1CCN(Cc2cccc([O-])c2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC001233054878 1038816261 /nfs/dbraw/zinc/81/62/61/1038816261.db2.gz CRJMSDXZQNXKQI-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM COc1ccc(CN2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(Cl)c1[O-] ZINC001233397799 1039232808 /nfs/dbraw/zinc/23/28/08/1039232808.db2.gz MUUUOMIIQFYOPK-ZDUSSCGKSA-N -1 3 384.904 3.886 20 0 GHADHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(-c2cnco2)c(OC(F)F)c1 ZINC001252892236 1039234230 /nfs/dbraw/zinc/23/42/30/1039234230.db2.gz BZGAYIXULHETFJ-UHFFFAOYSA-N -1 3 380.372 3.885 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nnc(-c2cccc(Br)c2)o1 ZINC001253170289 1039462313 /nfs/dbraw/zinc/46/23/13/1039462313.db2.gz HJADHGWIMBHFNP-UHFFFAOYSA-N -1 3 399.204 3.829 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001233591192 1039464221 /nfs/dbraw/zinc/46/42/21/1039464221.db2.gz DXGHBCKDGPQBNH-DJJJIMSYSA-N -1 3 383.872 3.901 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCN(c2ncc(Br)cn2)C1 ZINC001233592359 1039464429 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383.242 3.513 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3nc[n-]c(=O)c3-c3ccccc3)[C@H]1C2 ZINC001234693279 1040226409 /nfs/dbraw/zinc/22/64/09/1040226409.db2.gz VQCCEJWMFABDTN-NUEKZKHPSA-N -1 3 383.448 3.626 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1C(C)=O ZINC001234791706 1040322655 /nfs/dbraw/zinc/32/26/55/1040322655.db2.gz QPKBJSXBKNBMBP-OFQRWUPVSA-N -1 3 391.464 3.546 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1C(C)=O ZINC001234791542 1040323000 /nfs/dbraw/zinc/32/30/00/1040323000.db2.gz OGSWPKOYHYZCRF-LAUBAEHRSA-N -1 3 399.487 3.580 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3ccnn3-c3ccccc3)CC2)cc1Cl ZINC001462514187 1070319245 /nfs/dbraw/zinc/31/92/45/1070319245.db2.gz DXFFMEZQFPSRIE-UHFFFAOYSA-N -1 3 382.895 3.549 20 0 GHADHM O=S(=O)([N-]c1ccc(Cn2ccnc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001255921415 1041408621 /nfs/dbraw/zinc/40/86/21/1041408621.db2.gz QJNVTAWOYFOEIH-UHFFFAOYSA-N -1 3 381.379 3.751 20 0 GHADHM CON(C)C(=O)c1ccc(NC(=O)C(C)(C)C)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899476 1041418060 /nfs/dbraw/zinc/41/80/60/1041418060.db2.gz REONCMRRNHJDMF-UHFFFAOYSA-N -1 3 391.855 3.726 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2F)cc1F ZINC001256072672 1041508752 /nfs/dbraw/zinc/50/87/52/1041508752.db2.gz IEFYEQZPUXLNKK-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCCC1)c1ccc(F)cc1F ZINC001256089575 1041518210 /nfs/dbraw/zinc/51/82/10/1041518210.db2.gz GAHXPBQYYSUCJE-UHFFFAOYSA-N -1 3 380.460 3.824 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c(C)cc1Cl ZINC001256195649 1041640694 /nfs/dbraw/zinc/64/06/94/1041640694.db2.gz HXKUZFHAOKWZFO-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001236684053 1041829156 /nfs/dbraw/zinc/82/91/56/1041829156.db2.gz MXUKHNMMBJAOBZ-LSDHHAIUSA-N -1 3 397.313 3.738 20 0 GHADHM CCOC(=O)CN(Cc1ccsc1)Cc1ccc(Br)c([O-])c1 ZINC001236696951 1041831637 /nfs/dbraw/zinc/83/16/37/1041831637.db2.gz BCIALYSUEKOZID-UHFFFAOYSA-N -1 3 384.295 3.782 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236687189 1041832678 /nfs/dbraw/zinc/83/26/78/1041832678.db2.gz KNVXHIVSWGRIHF-ZDUSSCGKSA-N -1 3 385.302 3.501 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236692802 1041835838 /nfs/dbraw/zinc/83/58/38/1041835838.db2.gz SMLPSUBFROCKAK-ZDUSSCGKSA-N -1 3 385.302 3.644 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(Br)c([O-])c2)CCC1 ZINC001236694047 1041835946 /nfs/dbraw/zinc/83/59/46/1041835946.db2.gz DFJIOYZKAZLOPO-UHFFFAOYSA-N -1 3 399.329 3.988 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236697044 1041837803 /nfs/dbraw/zinc/83/78/03/1041837803.db2.gz BPUCQTBWQOKFMA-TZMCWYRMSA-N -1 3 399.329 3.890 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236697041 1041838192 /nfs/dbraw/zinc/83/81/92/1041838192.db2.gz BPUCQTBWQOKFMA-OCCSQVGLSA-N -1 3 399.329 3.890 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCc3ncnc(-c4ccsc4)c3CC2)s1 ZINC001237149249 1042065692 /nfs/dbraw/zinc/06/56/92/1042065692.db2.gz HPLRGBRRSQARLI-UHFFFAOYSA-N -1 3 378.910 3.621 20 0 GHADHM CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1Cc1sc(=O)[n-]c1Cl ZINC001237154295 1042066810 /nfs/dbraw/zinc/06/68/10/1042066810.db2.gz KEXIELPIHBVISK-CYBMUJFWSA-N -1 3 387.288 3.818 20 0 GHADHM O=C1N[C@@H](c2ccccc2)C12CCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001237523351 1042249366 /nfs/dbraw/zinc/24/93/66/1042249366.db2.gz SOENTOMPFFXFPM-INIZCTEOSA-N -1 3 392.286 3.547 20 0 GHADHM Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c1 ZINC001237760911 1042357651 /nfs/dbraw/zinc/35/76/51/1042357651.db2.gz XWRKQCJREZIOAC-UHFFFAOYSA-N -1 3 397.628 3.764 20 0 GHADHM Cn1ccc(CN2CCCC23CCN(Cc2cc(F)c([O-])c(Cl)c2)CC3)n1 ZINC001237991952 1042447602 /nfs/dbraw/zinc/44/76/02/1042447602.db2.gz LKPGQQMRVITPTE-UHFFFAOYSA-N -1 3 392.906 3.549 20 0 GHADHM C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233457 1042527549 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COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2F)cc1OC ZINC001257097389 1043844988 /nfs/dbraw/zinc/84/49/88/1043844988.db2.gz GWKXMIPIPGVZKI-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC001257284512 1043956290 /nfs/dbraw/zinc/95/62/90/1043956290.db2.gz KFIZKNXJXLEJFS-GFCCVEGCSA-N -1 3 394.707 3.529 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1Cl)c1ccccc1Br ZINC001257326580 1043964985 /nfs/dbraw/zinc/96/49/85/1043964985.db2.gz IAAABWPFVSGUDW-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCCN(C(=O)c1cc(SC)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001293111279 1044024675 /nfs/dbraw/zinc/02/46/75/1044024675.db2.gz JTDVRAOXUQUBDW-AWEZNQCLSA-N -1 3 394.537 3.976 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c(Cl)c1 ZINC001293352308 1044131829 /nfs/dbraw/zinc/13/18/29/1044131829.db2.gz XKLATOOMFRKOKH-SFHVURJKSA-N -1 3 382.913 3.674 20 0 GHADHM Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)c(Cl)c1[O-] ZINC001257863653 1044228709 /nfs/dbraw/zinc/22/87/09/1044228709.db2.gz RTKUSMLPVLZPPC-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1F ZINC001294117806 1044480115 /nfs/dbraw/zinc/48/01/15/1044480115.db2.gz QKXNGQOQHGIYOC-UHFFFAOYSA-N -1 3 394.472 3.943 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccccc1-c1ccccc1 ZINC001258341284 1044517388 /nfs/dbraw/zinc/51/73/88/1044517388.db2.gz MLSUJRBXLMGHLP-UHFFFAOYSA-N -1 3 375.881 3.527 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)c1cccc(Cl)c1 ZINC001462835960 1070584732 /nfs/dbraw/zinc/58/47/32/1070584732.db2.gz PQBAXDFJDZLWBP-LBPRGKRZSA-N -1 3 392.260 3.803 20 0 GHADHM CN(c1ccccc1)C1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC001294318211 1044582537 /nfs/dbraw/zinc/58/25/37/1044582537.db2.gz WDKKPDLRWNJKTK-UHFFFAOYSA-N -1 3 395.890 3.923 20 0 GHADHM CC1(C)CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)[C@H](c2ccccc2)C1 ZINC001294909706 1044837894 /nfs/dbraw/zinc/83/78/94/1044837894.db2.gz WXUROAMSNIVMIP-SFTDATJTSA-N -1 3 394.515 3.848 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258911484 1044865209 /nfs/dbraw/zinc/86/52/09/1044865209.db2.gz WXXFRBKORISRDS-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Br)s2)c1F ZINC001259059098 1044941005 /nfs/dbraw/zinc/94/10/05/1044941005.db2.gz TWGIESWOYHFHKT-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(Br)s1 ZINC001259059708 1044942027 /nfs/dbraw/zinc/94/20/27/1044942027.db2.gz WZWMPYQAERPBCO-QWRGUYRKSA-N -1 3 392.727 3.998 20 0 GHADHM Cc1c(Br)cnc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259084805 1044953734 /nfs/dbraw/zinc/95/37/34/1044953734.db2.gz KLSKDYUWFIJYRU-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC001259226833 1045021454 /nfs/dbraw/zinc/02/14/54/1045021454.db2.gz GOTIRYSBUZUDOP-UHFFFAOYSA-N -1 3 375.837 3.606 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1cccc(-c2ccccc2)c1 ZINC001259230883 1045026530 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Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3cc(-c4cccc(Cl)c4)ncn3)C2)n1 ZINC001307208999 1045272252 /nfs/dbraw/zinc/27/22/52/1045272252.db2.gz QQMGPETYHJGHHP-MRXNPFEDSA-N -1 3 396.882 3.682 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2c(F)cccc2OC[C@H]2CCCO2)c1 ZINC001259749522 1045284974 /nfs/dbraw/zinc/28/49/74/1045284974.db2.gz DEWRXQBJKLQHLU-MRXNPFEDSA-N -1 3 379.453 3.634 20 0 GHADHM Cc1cc2c(cc1NC(=O)c1ccc(C(=O)OCc3ccccc3)[n-]1)OCO2 ZINC001296245582 1045286958 /nfs/dbraw/zinc/28/69/58/1045286958.db2.gz NTBLRIXKLXJEGW-UHFFFAOYSA-N -1 3 378.384 3.661 20 0 GHADHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1cccc(OC(F)(F)F)c1F ZINC001259761052 1045290298 /nfs/dbraw/zinc/29/02/98/1045290298.db2.gz INXZXKCVNJYZDP-UHFFFAOYSA-N -1 3 381.322 3.848 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(I)cc2[O-])CCO1 ZINC001296290708 1045296574 /nfs/dbraw/zinc/29/65/74/1045296574.db2.gz BVSICUTUYMDRQS-ZYHUDNBSSA-N -1 3 389.233 3.531 20 0 GHADHM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)cc1 ZINC001259899187 1045331470 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GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(C)c1F ZINC001260834279 1045703130 /nfs/dbraw/zinc/70/31/30/1045703130.db2.gz LBBJDPNTYYRYBQ-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)c1ccccc1 ZINC001462957259 1070689824 /nfs/dbraw/zinc/68/98/24/1070689824.db2.gz WIUOCRRTCLHXAN-AWEZNQCLSA-N -1 3 393.480 3.647 20 0 GHADHM Cc1ccc(C)c(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC001260909584 1045764989 /nfs/dbraw/zinc/76/49/89/1045764989.db2.gz USTLYOYYDBAKSK-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccno1 ZINC001260948280 1045783031 /nfs/dbraw/zinc/78/30/31/1045783031.db2.gz ZDCYSYXWBWSLQV-SSDOTTSWSA-N -1 3 388.289 3.752 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261013805 1045836115 /nfs/dbraw/zinc/83/61/15/1045836115.db2.gz DJKYNZXXRNHPCO-GFCCVEGCSA-N -1 3 391.411 3.840 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1C(F)(F)F ZINC001261014003 1045836755 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20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2NCc2cccnc2)[n-]n1 ZINC001299812617 1046049986 /nfs/dbraw/zinc/04/99/86/1046049986.db2.gz FOVFHNTVMQLHSQ-UHFFFAOYSA-N -1 3 393.447 3.624 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2NCc2cccnc2)n[n-]1 ZINC001299812617 1046050004 /nfs/dbraw/zinc/05/00/04/1046050004.db2.gz FOVFHNTVMQLHSQ-UHFFFAOYSA-N -1 3 393.447 3.624 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC001463025526 1070739640 /nfs/dbraw/zinc/73/96/40/1070739640.db2.gz IUABTAIYVFKKJK-WMLDXEAASA-N -1 3 382.888 3.954 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1 ZINC001300814365 1046184558 /nfs/dbraw/zinc/18/45/58/1046184558.db2.gz ALXDEKIILBSRGK-INIZCTEOSA-N -1 3 392.521 3.776 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(Nc3cc(-c4cccc(Cl)c4)ncn3)CC2)n1 ZINC001262706974 1046312922 /nfs/dbraw/zinc/31/29/22/1046312922.db2.gz DNKMPCYVLDNBSO-UHFFFAOYSA-N -1 3 396.882 3.682 20 0 GHADHM O=C(Nc1cc(Cl)c(O)c2ccccc12)c1nc[n-]c(=O)c1Br ZINC001301159431 1046379028 /nfs/dbraw/zinc/37/90/28/1046379028.db2.gz SDKBQCMLKAOOPW-UHFFFAOYSA-N -1 3 394.612 3.709 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1cccc(OC(F)(F)F)c1F ZINC001463093339 1070787933 /nfs/dbraw/zinc/78/79/33/1070787933.db2.gz RQGRCDKADKWPFD-LBPRGKRZSA-N -1 3 389.370 3.733 20 0 GHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC001463101425 1070794602 /nfs/dbraw/zinc/79/46/02/1070794602.db2.gz YYLCJFNOHCRLPU-NXEZZACHSA-N -1 3 387.420 3.677 20 0 GHADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001301893343 1046749824 /nfs/dbraw/zinc/74/98/24/1046749824.db2.gz WVJIDZQTRXYOAJ-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001301893343 1046749833 /nfs/dbraw/zinc/74/98/33/1046749833.db2.gz WVJIDZQTRXYOAJ-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM O=C(N[C@H]1CCCC12CC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001302150736 1046842222 /nfs/dbraw/zinc/84/22/22/1046842222.db2.gz YQWQGTBFKPCUHC-SFHVURJKSA-N -1 3 388.464 3.689 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(Br)n1 ZINC001463142505 1070847049 /nfs/dbraw/zinc/84/70/49/1070847049.db2.gz HAZNIBFZSNLRCL-LSDHHAIUSA-N -1 3 395.322 3.534 20 0 GHADHM Cc1sccc1CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302621337 1047010116 /nfs/dbraw/zinc/01/01/16/1047010116.db2.gz PMRMVTFCHUESBM-AWEZNQCLSA-N -1 3 396.434 3.798 20 0 GHADHM COc1nscc1[N-]C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC001303231203 1047319197 /nfs/dbraw/zinc/31/91/97/1047319197.db2.gz GRZPOVBVNJMOHZ-UHFFFAOYSA-N -1 3 382.367 3.917 20 0 GHADHM O=C([N-]Cc1cc(-c2ccc(F)cc2F)on1)C(F)(F)C1(O)CCCCC1 ZINC001303270581 1047333534 /nfs/dbraw/zinc/33/35/34/1047333534.db2.gz MYPQWIURSYEHAY-UHFFFAOYSA-N -1 3 386.345 3.567 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(OC)ccc(F)c3OC)c2)n1 ZINC001264604451 1047388389 /nfs/dbraw/zinc/38/83/89/1047388389.db2.gz ULDTZEVAYIEBCR-UHFFFAOYSA-N -1 3 397.406 3.820 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1 ZINC001304100924 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ZINC001306668912 1048797878 /nfs/dbraw/zinc/79/78/78/1048797878.db2.gz OVPJEOWTTCODAF-UHFFFAOYSA-N -1 3 382.474 3.601 20 0 GHADHM Cc1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1F ZINC001306821281 1048914483 /nfs/dbraw/zinc/91/44/83/1048914483.db2.gz MIOTYJOVMHEQJH-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM CC[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)cc1 ZINC001289108177 1049326009 /nfs/dbraw/zinc/32/60/09/1049326009.db2.gz VIJINSVQMOOPSZ-GFCCVEGCSA-N -1 3 375.226 3.960 20 0 GHADHM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cccc([O-])c2Br)C1 ZINC001308825623 1050109904 /nfs/dbraw/zinc/10/99/04/1050109904.db2.gz OOKDJVNRYWAFKK-GXTWGEPZSA-N -1 3 384.314 3.954 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC001327469821 1050189820 /nfs/dbraw/zinc/18/98/20/1050189820.db2.gz ZLSPNMFKEREHGD-SECBINFHSA-N -1 3 392.403 3.504 20 0 GHADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001308953579 1050212527 /nfs/dbraw/zinc/21/25/27/1050212527.db2.gz GKTRMMHYICEXHE-OAHLLOKOSA-N -1 3 394.487 3.522 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCCC1)c1cccnc1C(F)(F)F ZINC001309032214 1050288301 /nfs/dbraw/zinc/28/83/01/1050288301.db2.gz RTPLSIAUMIJHGG-UHFFFAOYSA-N -1 3 384.423 3.891 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]CC1(c2cccc(C)c2)CCCCC1 ZINC001309068817 1050320557 /nfs/dbraw/zinc/32/05/57/1050320557.db2.gz CBCVVZVZZLWIOJ-UHFFFAOYSA-N -1 3 398.532 3.527 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cscn1 ZINC001309115480 1050370577 /nfs/dbraw/zinc/37/05/77/1050370577.db2.gz OFTLRDSAVFKLOJ-INIZCTEOSA-N -1 3 380.441 3.684 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(Cl)cc2Cl)s1 ZINC001309134782 1050390789 /nfs/dbraw/zinc/39/07/89/1050390789.db2.gz CAWGMFQJXWFAGA-VIFPVBQESA-N -1 3 379.334 3.922 20 0 GHADHM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001328359371 1050479998 /nfs/dbraw/zinc/47/99/98/1050479998.db2.gz BGSBLLSRNWBEQB-UHFFFAOYSA-N -1 3 383.370 3.955 20 0 GHADHM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001328359371 1050480020 /nfs/dbraw/zinc/48/00/20/1050480020.db2.gz BGSBLLSRNWBEQB-UHFFFAOYSA-N -1 3 383.370 3.955 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001328458936 1050514457 /nfs/dbraw/zinc/51/44/57/1050514457.db2.gz JYWFDAONEYWYTP-UHFFFAOYSA-N -1 3 384.339 3.579 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC001309385354 1050665717 /nfs/dbraw/zinc/66/57/17/1050665717.db2.gz OXZYHIYCJGEBOT-GFCCVEGCSA-N -1 3 381.444 3.892 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1cnc(Cl)c(F)c1 ZINC001309498395 1050766094 /nfs/dbraw/zinc/76/60/94/1050766094.db2.gz GBCHJQKUDFBYCU-UHFFFAOYSA-N -1 3 394.777 3.861 20 0 GHADHM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)CCC2 ZINC001329391910 1050793140 /nfs/dbraw/zinc/79/31/40/1050793140.db2.gz FXFDEYUYKKMSFF-HNNXBMFYSA-N -1 3 378.270 3.740 20 0 GHADHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001309662688 1050907257 /nfs/dbraw/zinc/90/72/57/1050907257.db2.gz ANXISOATCHKDLW-IINYFYTJSA-N -1 3 384.270 3.595 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](CCc2ccccc2)c2ccccn2)s1 ZINC001309765819 1050963107 /nfs/dbraw/zinc/96/31/07/1050963107.db2.gz UQUOFJJHLYVEJF-QGZVFWFLSA-N -1 3 387.530 3.753 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc(Cl)ccc1C(F)(F)F ZINC001309821504 1050989223 /nfs/dbraw/zinc/98/92/23/1050989223.db2.gz HRXFIDYVTZHYSA-SUZMYJTESA-N -1 3 383.819 3.595 20 0 GHADHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1cccc2ccccc21)c1ccccc1 ZINC001309871579 1051015206 /nfs/dbraw/zinc/01/52/06/1051015206.db2.gz JCPCHJDRGQXBJZ-OAQYLSRUSA-N -1 3 383.469 3.597 20 0 GHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCS1 ZINC001309918524 1051042652 /nfs/dbraw/zinc/04/26/52/1051042652.db2.gz BDWVJUDJIAUATO-WPRPVWTQSA-N -1 3 384.748 3.665 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCCC2)cc1C ZINC001309928256 1051051589 /nfs/dbraw/zinc/05/15/89/1051051589.db2.gz OAYZBGDMWYERHR-UHFFFAOYSA-N -1 3 381.538 3.767 20 0 GHADHM O=S(=O)([N-][C@H]1COc2c(F)cc(F)cc2C1)c1cccc(Cl)c1Cl ZINC001309941428 1051061606 /nfs/dbraw/zinc/06/16/06/1051061606.db2.gz ACRQECPNANFETR-SNVBAGLBSA-N -1 3 394.226 3.554 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncc3ccccc3n2)CC1 ZINC001331034636 1051176331 /nfs/dbraw/zinc/17/63/31/1051176331.db2.gz LRURKVHFYADYMY-UHFFFAOYSA-N -1 3 382.851 3.844 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001332027260 1051441827 /nfs/dbraw/zinc/44/18/27/1051441827.db2.gz NOQKQALYMQKIJH-OAHLLOKOSA-N -1 3 384.517 3.810 20 0 GHADHM COc1cc(Cl)c(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1C ZINC001310843605 1051642812 /nfs/dbraw/zinc/64/28/12/1051642812.db2.gz GWIJIJQQUYHFIN-ZETCQYMHSA-N -1 3 377.754 3.677 20 0 GHADHM Cc1ccnc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1C1CC1 ZINC001336105609 1052228790 /nfs/dbraw/zinc/22/87/90/1052228790.db2.gz AYHPZAZQESTHLK-UHFFFAOYSA-N -1 3 379.869 3.545 20 0 GHADHM CCOC(=O)C1(CC(F)F)CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001336257074 1052245795 /nfs/dbraw/zinc/24/57/95/1052245795.db2.gz CJMMNNRDSRJGGE-UHFFFAOYSA-N -1 3 391.414 3.986 20 0 GHADHM CCCCN(CC(F)(F)F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001336304331 1052255748 /nfs/dbraw/zinc/25/57/48/1052255748.db2.gz UFQDZSQBOZFUEJ-UHFFFAOYSA-N -1 3 386.823 3.516 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cc4cc(F)ccc4o3)c2C1 ZINC001475640568 1052395236 /nfs/dbraw/zinc/39/52/36/1052395236.db2.gz XMSCOEZLCOYLEB-UHFFFAOYSA-N -1 3 378.425 3.553 20 0 GHADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001312070971 1052557070 /nfs/dbraw/zinc/55/70/70/1052557070.db2.gz CVZNQIRXFKKYTJ-GFCCVEGCSA-N -1 3 395.837 3.744 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC001317812143 1054264390 /nfs/dbraw/zinc/26/43/90/1054264390.db2.gz ZQACXRWBHJQFGB-UHFFFAOYSA-N -1 3 389.864 3.944 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001317959241 1054328450 /nfs/dbraw/zinc/32/84/50/1054328450.db2.gz RKGPWYXLYJQHJA-HNNXBMFYSA-N -1 3 385.769 3.992 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)[N-]c3ncn(Cc4cccnc4)n3)s2)c(C)c1 ZINC001318230923 1054514513 /nfs/dbraw/zinc/51/45/13/1054514513.db2.gz ZTTDJRTVDSWQSG-UHFFFAOYSA-N -1 3 390.472 3.714 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2CC(C)C)cc(=O)[n-]1 ZINC001344499920 1054524008 /nfs/dbraw/zinc/52/40/08/1054524008.db2.gz MNQZRTANBFFFRU-INIZCTEOSA-N -1 3 384.509 3.808 20 0 GHADHM O=S(=O)([N-]C1CCN(c2cccc(F)c2)CC1)c1cc(F)ccc1Cl ZINC001318638571 1054763548 /nfs/dbraw/zinc/76/35/48/1054763548.db2.gz JKHSNDOCUOZQSW-UHFFFAOYSA-N -1 3 386.851 3.566 20 0 GHADHM CC[C@@H](C)[C@@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001319052866 1055012574 /nfs/dbraw/zinc/01/25/74/1055012574.db2.gz KSLNIRIDUZZDFT-AUUYWEPGSA-N -1 3 392.496 3.643 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ncc(C(F)(F)F)cc1Cl ZINC001319217892 1055100159 /nfs/dbraw/zinc/10/01/59/1055100159.db2.gz CWSPSRDEMFWHCK-UHFFFAOYSA-N -1 3 397.781 3.877 20 0 GHADHM C[C@H](CCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345746524 1055239712 /nfs/dbraw/zinc/23/97/12/1055239712.db2.gz TUWHHRPGOVBHNE-DVECYGJZSA-N -1 3 394.515 3.806 20 0 GHADHM C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001320245486 1055720916 /nfs/dbraw/zinc/72/09/16/1055720916.db2.gz GPYRPUSZIXVWDO-BENRWUELSA-N -1 3 396.871 3.570 20 0 GHADHM Cc1cc(C)n2ncc(C(=O)[N-]c3nnc(Cc4ccc(Cl)cc4)s3)c2n1 ZINC001320774138 1055956438 /nfs/dbraw/zinc/95/64/38/1055956438.db2.gz BFDWVXDGLBQFPS-UHFFFAOYSA-N -1 3 398.879 3.694 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)c1ccccc1 ZINC001320905808 1056008010 /nfs/dbraw/zinc/00/80/10/1056008010.db2.gz UFMTVAAUYMTARH-IBGZPJMESA-N -1 3 399.447 3.682 20 0 GHADHM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC001321706321 1056368503 /nfs/dbraw/zinc/36/85/03/1056368503.db2.gz KNOLGLUUSBCUEK-UHFFFAOYSA-N -1 3 399.501 3.901 20 0 GHADHM CCOC(=O)C1([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)Cc2ccccc2C1 ZINC001322221479 1056579208 /nfs/dbraw/zinc/57/92/08/1056579208.db2.gz QPYFERSTCDYNDL-UHFFFAOYSA-N -1 3 393.817 3.649 20 0 GHADHM [O-]c1ccc(NC(=S)NC2CCCCC2)cc1I ZINC001200651155 1056596248 /nfs/dbraw/zinc/59/62/48/1056596248.db2.gz BDLMPRPLCBUCDF-UHFFFAOYSA-N -1 3 376.263 3.616 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000848159912 1056782832 /nfs/dbraw/zinc/78/28/32/1056782832.db2.gz LURPEYSJTSUCFU-CRAIPNDOSA-N -1 3 392.249 3.906 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccccc3Cl)o2)ccc1F ZINC001322672550 1056792389 /nfs/dbraw/zinc/79/23/89/1056792389.db2.gz YNLGREKMXTUPNF-UHFFFAOYSA-N -1 3 395.843 3.883 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]CC(=O)c1c(F)cccc1F ZINC000848231002 1056919807 /nfs/dbraw/zinc/91/98/07/1056919807.db2.gz NLLDXAOPGFZSAG-UHFFFAOYSA-N -1 3 383.341 3.843 20 0 GHADHM CC(C)c1nc(C(=O)[N-]c2c(Cl)cncc2Cl)nn1-c1ccccc1F ZINC001355660690 1057243290 /nfs/dbraw/zinc/24/32/90/1057243290.db2.gz ZMLNBAZUVBGBMK-UHFFFAOYSA-N -1 3 394.237 3.906 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2CCC1CC2 ZINC001325091866 1057274877 /nfs/dbraw/zinc/27/48/77/1057274877.db2.gz VGKCKSQVKVDNPT-IOYBJCICSA-N -1 3 378.472 3.654 20 0 GHADHM CN(c1nc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)cs1)c1ccccc1 ZINC001356308856 1057467269 /nfs/dbraw/zinc/46/72/69/1057467269.db2.gz XNNXDSGLDZGXIG-UHFFFAOYSA-N -1 3 390.472 3.803 20 0 GHADHM Cc1nc2scc(-c3ccccc3)c2c(N2CCc3c(nc[n-]c3=O)C2)n1 ZINC001327139801 1057606572 /nfs/dbraw/zinc/60/65/72/1057606572.db2.gz DUJLEYMBMXEMPX-UHFFFAOYSA-N -1 3 375.457 3.725 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001439510382 1058200824 /nfs/dbraw/zinc/20/08/24/1058200824.db2.gz JHRYMXMVMFWZRU-UHFFFAOYSA-N -1 3 380.301 3.893 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001440910353 1058656992 /nfs/dbraw/zinc/65/69/92/1058656992.db2.gz WYXAFCFKJCPJDN-WCQYABFASA-N -1 3 377.282 3.941 20 0 GHADHM CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)c1C ZINC001441013357 1058677647 /nfs/dbraw/zinc/67/76/47/1058677647.db2.gz SCXLQHJFHIDPCU-UHFFFAOYSA-N -1 3 379.416 3.624 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3c(C)cccc3[O-])c2)cc1 ZINC001441516416 1058805387 /nfs/dbraw/zinc/80/53/87/1058805387.db2.gz AYFHJZUCFRVKID-UHFFFAOYSA-N -1 3 388.467 3.869 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 ZINC001441945579 1058891900 /nfs/dbraw/zinc/89/19/00/1058891900.db2.gz LTXVRNZSJBQBMY-UHFFFAOYSA-N -1 3 397.475 3.727 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C(F)(F)c1cccc(Cl)c1Cl ZINC001339018312 1058925678 /nfs/dbraw/zinc/92/56/78/1058925678.db2.gz JFMVTIFASDSRFH-UHFFFAOYSA-N -1 3 375.084 3.861 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C(F)(F)c1cccc(Cl)c1Cl ZINC001339018312 1058925682 /nfs/dbraw/zinc/92/56/82/1058925682.db2.gz JFMVTIFASDSRFH-UHFFFAOYSA-N -1 3 375.084 3.861 20 0 GHADHM Cc1[nH]nc(NC(=O)c2cccc3n[n-]nc32)c1-c1cccc(Br)c1 ZINC001445424749 1059526714 /nfs/dbraw/zinc/52/67/14/1059526714.db2.gz IRVMQSLZFNMEOD-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C)cc2OC(C)(C)C)c([O-])c1 ZINC001446019206 1059679050 /nfs/dbraw/zinc/67/90/50/1059679050.db2.gz YINHUXDVJUIIJC-UHFFFAOYSA-N -1 3 398.503 3.623 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]C(=O)C(F)(F)C3(O)CCCCC3)n2)ccc1F ZINC001446103253 1059700841 /nfs/dbraw/zinc/70/08/41/1059700841.db2.gz DCTMKXXAHNRMJR-LBPRGKRZSA-N -1 3 397.397 3.692 20 0 GHADHM COc1nnc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)[n-]1 ZINC001446195579 1059727106 /nfs/dbraw/zinc/72/71/06/1059727106.db2.gz XRRVODXCGLWUHK-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM COc1nc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n[n-]1 ZINC001446195579 1059727125 /nfs/dbraw/zinc/72/71/25/1059727125.db2.gz XRRVODXCGLWUHK-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM COc1n[n-]c(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 ZINC001446195579 1059727141 /nfs/dbraw/zinc/72/71/41/1059727141.db2.gz XRRVODXCGLWUHK-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(Nc3nccc(C)n3)c2)c([O-])c1 ZINC001447063540 1059924240 /nfs/dbraw/zinc/92/42/40/1059924240.db2.gz RSOXKSZOBJVQON-UHFFFAOYSA-N -1 3 392.415 3.663 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC3)c([O-])c1 ZINC001447064777 1059925292 /nfs/dbraw/zinc/92/52/92/1059925292.db2.gz WASQCXXMHKTESL-UHFFFAOYSA-N -1 3 383.444 3.855 20 0 GHADHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc(SC)ccc1[O-] ZINC001447431960 1059963846 /nfs/dbraw/zinc/96/38/46/1059963846.db2.gz CBTKJEUGMXOTPJ-BEFAXECRSA-N -1 3 399.512 3.896 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(I)cc2[O-])cc1C ZINC001447631330 1059991661 /nfs/dbraw/zinc/99/16/61/1059991661.db2.gz RYVFZODPCWYMKB-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001340813895 1060153318 /nfs/dbraw/zinc/15/33/18/1060153318.db2.gz YNPYGOKMZNZLAF-HNNXBMFYSA-N -1 3 385.769 3.992 20 0 GHADHM CN(C)C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001448404427 1060178536 /nfs/dbraw/zinc/17/85/36/1060178536.db2.gz ORIZASDYNOZHFU-HNNXBMFYSA-N -1 3 397.700 3.841 20 0 GHADHM COC1(CNC(=O)c2cc3c(cc2[O-])OCO3)CCC(c2ccccc2)CC1 ZINC001449124896 1060336510 /nfs/dbraw/zinc/33/65/10/1060336510.db2.gz MWMUUZZOQBVDTC-UHFFFAOYSA-N -1 3 383.444 3.594 20 0 GHADHM O=C([N-]C[C@H](O)Cc1cccc(F)c1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001450321932 1060575065 /nfs/dbraw/zinc/57/50/65/1060575065.db2.gz ZKRZQTCLPOCTMB-CYBMUJFWSA-N -1 3 392.204 3.944 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)c1[O-] ZINC001450608841 1060633214 /nfs/dbraw/zinc/63/32/14/1060633214.db2.gz OGTIOUZJVMIDKV-KRWDZBQOSA-N -1 3 390.480 3.959 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1[O-] ZINC001450623243 1060638703 /nfs/dbraw/zinc/63/87/03/1060638703.db2.gz NJWCQCGTKLXLRK-FCHUYYIVSA-N -1 3 375.424 3.800 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001450919128 1060717500 /nfs/dbraw/zinc/71/75/00/1060717500.db2.gz LDJWTZWBHIIMOO-IBGZPJMESA-N -1 3 393.491 3.540 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001450919128 1060717517 /nfs/dbraw/zinc/71/75/17/1060717517.db2.gz LDJWTZWBHIIMOO-IBGZPJMESA-N -1 3 393.491 3.540 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001451030783 1060729022 /nfs/dbraw/zinc/72/90/22/1060729022.db2.gz LGUNFWXJNNRPDX-IAQYHMDHSA-N -1 3 388.876 3.893 20 0 GHADHM CCCN(Cc1ccc(-n2cncn2)c(C)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001341523272 1060729413 /nfs/dbraw/zinc/72/94/13/1060729413.db2.gz MMSRQAOFEQCSBP-UHFFFAOYSA-N -1 3 394.504 3.698 20 0 GHADHM Cc1cccc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1Br ZINC001452097254 1060900218 /nfs/dbraw/zinc/90/02/18/1060900218.db2.gz FYHWGSZSHCBLET-UHFFFAOYSA-N -1 3 394.269 3.617 20 0 GHADHM Cc1cccc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1Br ZINC001452097254 1060900224 /nfs/dbraw/zinc/90/02/24/1060900224.db2.gz FYHWGSZSHCBLET-UHFFFAOYSA-N -1 3 394.269 3.617 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001452107014 1060901691 /nfs/dbraw/zinc/90/16/91/1060901691.db2.gz YUBFJFGMWKQTFW-UHFFFAOYSA-N -1 3 392.412 3.557 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001452107014 1060901696 /nfs/dbraw/zinc/90/16/96/1060901696.db2.gz YUBFJFGMWKQTFW-UHFFFAOYSA-N -1 3 392.412 3.557 20 0 GHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H](CO)Cc1ccccc1 ZINC001453292080 1061104088 /nfs/dbraw/zinc/10/40/88/1061104088.db2.gz PSJMXFITQRAADG-QFIPXVFZSA-N -1 3 389.495 3.853 20 0 GHADHM Cc1nc(CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)oc1-c1ccccc1 ZINC001454293313 1061703220 /nfs/dbraw/zinc/70/32/20/1061703220.db2.gz FFNCZELPXIEEJK-UHFFFAOYSA-N -1 3 392.459 3.662 20 0 GHADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC001454411447 1061772468 /nfs/dbraw/zinc/77/24/68/1061772468.db2.gz ZXHLGBYQUGPFBA-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC001454411447 1061772481 /nfs/dbraw/zinc/77/24/81/1061772481.db2.gz ZXHLGBYQUGPFBA-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)COC)[C@H]2CCc3ccccc32)c1 ZINC001454478380 1061798771 /nfs/dbraw/zinc/79/87/71/1061798771.db2.gz VRLRKUMBQDGBPS-YWZLYKJASA-N -1 3 394.471 3.681 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)[C@H](F)c1ccccc1 ZINC001454628833 1061889105 /nfs/dbraw/zinc/88/91/05/1061889105.db2.gz HEBDELDIICXNFR-QGZVFWFLSA-N -1 3 382.395 3.628 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c1 ZINC001454932182 1061958360 /nfs/dbraw/zinc/95/83/60/1061958360.db2.gz KLFMLFGWYYBDRA-OAQYLSRUSA-N -1 3 388.414 3.866 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)c(Br)[nH]1 ZINC001545835517 1062032842 /nfs/dbraw/zinc/03/28/42/1062032842.db2.gz BAFPQYHKEBRZKM-UHFFFAOYSA-N -1 3 377.995 3.637 20 0 GHADHM [O-]c1c(Cl)cccc1CCc1nnc(N2CCCC2)n1C[C@@H]1CCCCO1 ZINC001346994583 1062035922 /nfs/dbraw/zinc/03/59/22/1062035922.db2.gz BKCBIWKYVMGCSU-INIZCTEOSA-N -1 3 390.915 3.592 20 0 GHADHM COc1ccc2[nH]nc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)c2c1 ZINC001545860219 1062046431 /nfs/dbraw/zinc/04/64/31/1062046431.db2.gz HPFUUAXLHVSDOT-UHFFFAOYSA-N -1 3 389.437 3.627 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2)[n-]n1 ZINC001456329470 1062617752 /nfs/dbraw/zinc/61/77/52/1062617752.db2.gz HYIYSAPWLQMTFI-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[n-]1 ZINC001456329470 1062617766 /nfs/dbraw/zinc/61/77/66/1062617766.db2.gz HYIYSAPWLQMTFI-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CCCCC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC ZINC001435448153 1062618760 /nfs/dbraw/zinc/61/87/60/1062618760.db2.gz ZNBLWDGGAKJLQT-CYBMUJFWSA-N -1 3 377.815 3.679 20 0 GHADHM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001347753807 1062626973 /nfs/dbraw/zinc/62/69/73/1062626973.db2.gz KYGARTJQSBNVAD-UHFFFAOYSA-N -1 3 375.350 3.865 20 0 GHADHM C[C@@H]1CSCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001456949450 1062927623 /nfs/dbraw/zinc/92/76/23/1062927623.db2.gz GWLVQNOYRHJHNY-OXQOHEQNSA-N -1 3 398.528 3.607 20 0 GHADHM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)sc1-c1ccccc1 ZINC001348175216 1062945692 /nfs/dbraw/zinc/94/56/92/1062945692.db2.gz DFWCYSHHVXQBIZ-MRXNPFEDSA-N -1 3 394.500 3.536 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](C)[C@@H]3c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001348177180 1062946028 /nfs/dbraw/zinc/94/60/28/1062946028.db2.gz BACRTYZNPMBBER-JLTOFOAXSA-N -1 3 390.491 3.747 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc2)CC1 ZINC001457500236 1063213023 /nfs/dbraw/zinc/21/30/23/1063213023.db2.gz SIAKDFMYBWCUGK-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC001436228337 1063309884 /nfs/dbraw/zinc/30/98/84/1063309884.db2.gz DTIBWJHMQWRARS-UHFFFAOYSA-N -1 3 390.374 3.803 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC001436228337 1063309908 /nfs/dbraw/zinc/30/99/08/1063309908.db2.gz DTIBWJHMQWRARS-UHFFFAOYSA-N -1 3 390.374 3.803 20 0 GHADHM Cn1nc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cc1Cl ZINC001349105302 1063549620 /nfs/dbraw/zinc/54/96/20/1063549620.db2.gz RPMLRDLYLGRREL-UHFFFAOYSA-N -1 3 383.861 3.609 20 0 GHADHM CCOC(=O)c1c(C2CC2)csc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001350213403 1064022189 /nfs/dbraw/zinc/02/21/89/1064022189.db2.gz NLDYDNLPFRTBRQ-UHFFFAOYSA-N -1 3 382.441 3.896 20 0 GHADHM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1c[n-]c2ccccc2c1=O ZINC001350361786 1064065866 /nfs/dbraw/zinc/06/58/66/1064065866.db2.gz KDGMBFYDZMXBIX-UHFFFAOYSA-N -1 3 395.846 3.670 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H](C)C2)c(F)cc1Br ZINC001463493161 1064403044 /nfs/dbraw/zinc/40/30/44/1064403044.db2.gz SRRBSNISYJOWLO-JBLDHEPKSA-N -1 3 378.307 4.000 20 0 GHADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@H](C)O1 ZINC001463583452 1064480000 /nfs/dbraw/zinc/48/00/00/1064480000.db2.gz IWXRUDQMBHOWRY-KBPBESRZSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)c1 ZINC001463653709 1064529507 /nfs/dbraw/zinc/52/95/07/1064529507.db2.gz WZSLNVFXIMFYNL-UHFFFAOYSA-N -1 3 380.828 3.921 20 0 GHADHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001463739391 1064580102 /nfs/dbraw/zinc/58/01/02/1064580102.db2.gz QYNUVORJLDHTEM-HOCLYGCPSA-N -1 3 380.535 3.540 20 0 GHADHM CO[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C1CC1 ZINC001463746001 1064583318 /nfs/dbraw/zinc/58/33/18/1064583318.db2.gz IJPOJUZISSKWNP-AWEZNQCLSA-N -1 3 396.734 3.504 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1cccc(-c2nnn[n-]2)c1 ZINC001463827252 1064652814 /nfs/dbraw/zinc/65/28/14/1064652814.db2.gz BFGXAHKICGPLMC-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1cccc(-c2nn[n-]n2)c1 ZINC001463827252 1064652819 /nfs/dbraw/zinc/65/28/19/1064652819.db2.gz BFGXAHKICGPLMC-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001463838119 1064660807 /nfs/dbraw/zinc/66/08/07/1064660807.db2.gz YEZVGTVHHRMWSE-UHFFFAOYSA-N -1 3 394.427 3.787 20 0 GHADHM COC(=O)c1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2OC(C)C)s1 ZINC000847087556 1064677835 /nfs/dbraw/zinc/67/78/35/1064677835.db2.gz POUWESPZGDDACD-LLVKDONJSA-N -1 3 398.431 3.686 20 0 GHADHM Cc1ccc(CCS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCCCC2)cc1 ZINC001464009262 1064766802 /nfs/dbraw/zinc/76/68/02/1064766802.db2.gz QMMQZPLZQCSJLD-UHFFFAOYSA-N -1 3 395.565 3.892 20 0 GHADHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001464083250 1064808235 /nfs/dbraw/zinc/80/82/35/1064808235.db2.gz QKUJBQHDLGVDCH-ZDUSSCGKSA-N -1 3 386.970 3.953 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCn2cncc2-c2ccccc2)sc1Cl ZINC001464180032 1064890970 /nfs/dbraw/zinc/89/09/70/1064890970.db2.gz YMVKSKCBTWTKJC-UHFFFAOYSA-N -1 3 381.910 3.552 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c([O-])c1 ZINC001464422649 1064998912 /nfs/dbraw/zinc/99/89/12/1064998912.db2.gz MJQWUBMZSTXEME-KRWDZBQOSA-N -1 3 382.504 3.666 20 0 GHADHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC001464534627 1065067731 /nfs/dbraw/zinc/06/77/31/1065067731.db2.gz BZEQGJZFIZQKBD-MRXNPFEDSA-N -1 3 383.416 3.533 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCOC2(CCC2)C1 ZINC001464578068 1065092323 /nfs/dbraw/zinc/09/23/23/1065092323.db2.gz IUMSRPZRVRQLMN-GOSISDBHSA-N -1 3 392.546 3.828 20 0 GHADHM O=C(Nc1nc2c(s1)CCCCC2)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464649668 1065137366 /nfs/dbraw/zinc/13/73/66/1065137366.db2.gz MNDVNFISCPIDSE-UHFFFAOYSA-N -1 3 375.400 3.784 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001464663247 1065144413 /nfs/dbraw/zinc/14/44/13/1065144413.db2.gz FEEJXEIMHVVGBE-UAVUOLJFSA-N -1 3 386.583 3.834 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001464855538 1065246799 /nfs/dbraw/zinc/24/67/99/1065246799.db2.gz UPFMUABOEYCCNN-DZGCQCFKSA-N -1 3 393.530 3.793 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1cc2sccc2c([O-])c1)Cc1cccc(F)c1 ZINC001464897721 1065263887 /nfs/dbraw/zinc/26/38/87/1065263887.db2.gz BJCQRVAXCAEXJL-AWEZNQCLSA-N -1 3 387.432 3.508 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001464955093 1065289495 /nfs/dbraw/zinc/28/94/95/1065289495.db2.gz DMTJUTCUTCTQID-UZWSLXQKSA-N -1 3 390.427 3.698 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C3CCC(c4ccccc4)CC3)C2)n1 ZINC001352806643 1065326436 /nfs/dbraw/zinc/32/64/36/1065326436.db2.gz KGKLPSXKXURDEI-MHJFOBGBSA-N -1 3 394.519 3.550 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465149846 1065419289 /nfs/dbraw/zinc/41/92/89/1065419289.db2.gz MIQRRNWNVDIWIP-ZETCQYMHSA-N -1 3 377.754 3.677 20 0 GHADHM CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001465583693 1065728815 /nfs/dbraw/zinc/72/88/15/1065728815.db2.gz SEJUUAMOTVQTSX-OAHLLOKOSA-N -1 3 397.700 3.841 20 0 GHADHM CC(C)(C)OC(=O)CC1(NC(=O)c2cc([O-])cc(Br)c2)CCC1 ZINC001300246129 1065823080 /nfs/dbraw/zinc/82/30/80/1065823080.db2.gz HCVOTVKBBVDADM-UHFFFAOYSA-N -1 3 384.270 3.539 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001466076536 1065975430 /nfs/dbraw/zinc/97/54/30/1065975430.db2.gz BUNSCKRHMIHPOE-VIFPVBQESA-N -1 3 380.330 3.670 20 0 GHADHM O=C(Cc1cncc2ccccc21)[N-]OCc1ccc(F)cc1Br ZINC001466940793 1066402513 /nfs/dbraw/zinc/40/25/13/1066402513.db2.gz YMTIIBSQMXYABZ-UHFFFAOYSA-N -1 3 389.224 3.927 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4cccc(C)c4)n3C)nc21 ZINC001357296663 1067036636 /nfs/dbraw/zinc/03/66/36/1067036636.db2.gz WHYCKTJNHFRYEZ-UHFFFAOYSA-N -1 3 388.427 3.916 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)Nc1cccc2ccccc21 ZINC001357547234 1067156949 /nfs/dbraw/zinc/15/69/49/1067156949.db2.gz DQLRFHJHCLYZEU-UHFFFAOYSA-N -1 3 390.336 3.965 20 0 GHADHM COc1ccc(-c2ccc(C)c(NC(=O)c3c(C)[n-]c(=O)nc3SC)c2)cn1 ZINC001467470531 1067313862 /nfs/dbraw/zinc/31/38/62/1067313862.db2.gz LHCPRQRQHMQESW-UHFFFAOYSA-N -1 3 396.472 3.844 20 0 GHADHM Cc1cccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1C(F)(F)F ZINC001467871237 1067509422 /nfs/dbraw/zinc/50/94/22/1067509422.db2.gz COVFOKQWRVSDMO-RYUDHWBXSA-N -1 3 395.381 3.508 20 0 GHADHM CC(C)=CCC[C@@H](C)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001468196873 1067628801 /nfs/dbraw/zinc/62/88/01/1067628801.db2.gz YFDIPMHTZONIDS-CQSZACIVSA-N -1 3 395.459 3.857 20 0 GHADHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001468343809 1067694912 /nfs/dbraw/zinc/69/49/12/1067694912.db2.gz YOMZEVAZPQZGKO-LJQANCHMSA-N -1 3 377.868 3.526 20 0 GHADHM O=C([N-]Cc1nc2ccccc2o1)C(F)(F)c1ccccc1Br ZINC001468555250 1067769107 /nfs/dbraw/zinc/76/91/07/1067769107.db2.gz PNVBDYJNYCUSQM-UHFFFAOYSA-N -1 3 381.176 3.999 20 0 GHADHM COc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1O ZINC001468713219 1067844401 /nfs/dbraw/zinc/84/44/01/1067844401.db2.gz GXNIBUMPXLBOIJ-UHFFFAOYSA-N -1 3 377.440 3.822 20 0 GHADHM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)c2)o1 ZINC001468750605 1067860244 /nfs/dbraw/zinc/86/02/44/1067860244.db2.gz DQVKWWBZEHQBHW-UHFFFAOYSA-N -1 3 395.802 3.924 20 0 GHADHM CC[C@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)[C@@H]1CC1(C)C ZINC001469142329 1067993488 /nfs/dbraw/zinc/99/34/88/1067993488.db2.gz MEMZLTFGCSYWSW-GJZGRUSLSA-N -1 3 395.459 3.547 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1([C@H]2CCCCO2)CCC1 ZINC001469400684 1068145196 /nfs/dbraw/zinc/14/51/96/1068145196.db2.gz YEUDDHNQMJOHMT-MRXNPFEDSA-N -1 3 397.313 3.693 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)n1 ZINC001469724626 1068340218 /nfs/dbraw/zinc/34/02/18/1068340218.db2.gz QYKINNRZXDXRTA-UHFFFAOYSA-N -1 3 385.508 3.781 20 0 GHADHM O=C(NC[C@@H]1CCCN1CC(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001470150941 1068597594 /nfs/dbraw/zinc/59/75/94/1068597594.db2.gz GGLKWCMMYOQGLH-SFHVURJKSA-N -1 3 388.458 3.637 20 0 GHADHM CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cc(C)ccc1C ZINC001471078471 1072914176 /nfs/dbraw/zinc/91/41/76/1072914176.db2.gz ITPRZCPITVQZFL-OAQYLSRUSA-N -1 3 395.503 3.628 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccc(Cl)c2)C(F)F)c1 ZINC001471511827 1073110799 /nfs/dbraw/zinc/11/07/99/1073110799.db2.gz HDDYAGSRLUZYLU-MRXNPFEDSA-N -1 3 380.778 3.906 20 0 GHADHM COc1cc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1OCCC(C)C ZINC001471676476 1073174441 /nfs/dbraw/zinc/17/44/41/1073174441.db2.gz AXHQFCGROQUJAZ-UHFFFAOYSA-N -1 3 397.475 3.649 20 0 GHADHM O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471678123 1073174815 /nfs/dbraw/zinc/17/48/15/1073174815.db2.gz VPFJJRGIVMLMAR-UHFFFAOYSA-N -1 3 385.292 3.513 20 0 GHADHM C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109919 1073337330 /nfs/dbraw/zinc/33/73/30/1073337330.db2.gz YSLSDDCAJTWEOS-NSHDSACASA-N -1 3 393.369 3.679 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c([O-])c1 ZINC001472201663 1073369759 /nfs/dbraw/zinc/36/97/59/1073369759.db2.gz ONGVBVXETATUFP-SJORKVTESA-N -1 3 388.508 3.845 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1csc(-c2ccccc2F)n1 ZINC001472289095 1073401019 /nfs/dbraw/zinc/40/10/19/1073401019.db2.gz XCKVWLDHXPHDLU-JOCQHMNTSA-N -1 3 398.463 3.901 20 0 GHADHM CCCCC1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001472298919 1073407190 /nfs/dbraw/zinc/40/71/90/1073407190.db2.gz RMLKZIBSDPSVIM-UHFFFAOYSA-N -1 3 393.336 3.501 20 0 GHADHM Cc1[nH]nc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1-c1cccc(F)c1 ZINC001472610233 1073574181 /nfs/dbraw/zinc/57/41/81/1073574181.db2.gz ZMLFKWMWWGJQLV-UHFFFAOYSA-N -1 3 376.391 3.926 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@](O)(CC)CCC(F)(F)F)c([O-])c1 ZINC001472626458 1073584400 /nfs/dbraw/zinc/58/44/00/1073584400.db2.gz SYIIZFFJKDKQFZ-QGZVFWFLSA-N -1 3 377.403 3.785 20 0 GHADHM Cn1ccnc1[C@@H]([N-]C(=O)c1cc(C(F)(F)F)cc(Cl)n1)C(F)(F)F ZINC001472633950 1073588057 /nfs/dbraw/zinc/58/80/57/1073588057.db2.gz JQJQHRQZUYEWBD-SECBINFHSA-N -1 3 386.683 3.521 20 0 GHADHM O=C(OCc1ccccc1)[C@H]1CCCN1Cc1cccc([O-])c1Br ZINC001474413522 1074394973 /nfs/dbraw/zinc/39/49/73/1074394973.db2.gz NKFRJHKAZANJJO-MRXNPFEDSA-N -1 3 390.277 3.863 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1cc(F)ccc1Br ZINC001474804743 1074571427 /nfs/dbraw/zinc/57/14/27/1074571427.db2.gz HMOUIKLCXBMHAA-UHFFFAOYSA-N -1 3 398.297 3.988 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)N(C)c1ccccc1 ZINC001474881041 1074609529 /nfs/dbraw/zinc/60/95/29/1074609529.db2.gz IQSQFRKOLHSOBO-ZDUSSCGKSA-N -1 3 376.453 3.684 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cnc(-c2ccccc2)s1 ZINC001474896093 1074618582 /nfs/dbraw/zinc/61/85/82/1074618582.db2.gz IOYLMBMSDCUJKN-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCC(C)C)c1F ZINC001474927425 1074635652 /nfs/dbraw/zinc/63/56/52/1074635652.db2.gz ITLWEZWORBGCMN-TZMCWYRMSA-N -1 3 389.464 3.635 20 0 GHADHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC001474983278 1074666667 /nfs/dbraw/zinc/66/66/67/1074666667.db2.gz UYUPWLJFFCOICL-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)cc1 ZINC001474987161 1074669847 /nfs/dbraw/zinc/66/98/47/1074669847.db2.gz RWFNMZYRJNNIDV-NSHDSACASA-N -1 3 381.910 3.735 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)Cc1cccs1 ZINC001475033952 1074698188 /nfs/dbraw/zinc/69/81/88/1074698188.db2.gz BHHMLNSWNZIRGC-SECBINFHSA-N -1 3 387.939 3.563 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1c(F)cccc1OC(F)(F)F ZINC001475212848 1074788851 /nfs/dbraw/zinc/78/88/51/1074788851.db2.gz BJBPMOWXYFHNPJ-UHFFFAOYSA-N -1 3 389.370 3.778 20 0 GHADHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC001475221688 1074792157 /nfs/dbraw/zinc/79/21/57/1074792157.db2.gz HMCNPKFTRSXBCY-HNNXBMFYSA-N -1 3 382.309 3.640 20 0 GHADHM CCO[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001475254733 1074807377 /nfs/dbraw/zinc/80/73/77/1074807377.db2.gz XWAAVEVPIOGBMP-KRWDZBQOSA-N -1 3 388.514 3.866 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001475390818 1074858847 /nfs/dbraw/zinc/85/88/47/1074858847.db2.gz BUAJEKDMSFLGHW-GOEBONIOSA-N -1 3 385.501 3.887 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccccc1F)c1cc(Cl)ccc1Cl ZINC001475427524 1074871479 /nfs/dbraw/zinc/87/14/79/1074871479.db2.gz WJPJSERZSIUBCZ-CQSZACIVSA-N -1 3 378.252 3.535 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)(C)C)c1Cl ZINC001475436976 1074874586 /nfs/dbraw/zinc/87/45/86/1074874586.db2.gz HPPLCHNNELXGQE-SNVBAGLBSA-N -1 3 382.309 3.558 20 0 GHADHM O=S(=O)([N-]CCc1ccoc1)c1ccc(Br)cc1C(F)(F)F ZINC001475499932 1074896843 /nfs/dbraw/zinc/89/68/43/1074896843.db2.gz PYFLNVOQBVABBV-UHFFFAOYSA-N -1 3 398.200 3.582 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1C(F)(F)F ZINC001475548943 1074911521 /nfs/dbraw/zinc/91/15/21/1074911521.db2.gz UPJOEXYSZHCSML-SMDDNHRTSA-N -1 3 395.324 3.957 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1cccnc1)C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC001475609435 1074926416 /nfs/dbraw/zinc/92/64/16/1074926416.db2.gz DFUJJGKZBYHPQE-KRWDZBQOSA-N -1 3 384.423 3.579 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCc2cccc3cccc1c32 ZINC001475704694 1075004119 /nfs/dbraw/zinc/00/41/19/1075004119.db2.gz FOGKMHUUUKREJK-HNNXBMFYSA-N -1 3 375.881 3.501 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1C[C@H]1Cc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC001475756330 1075015155 /nfs/dbraw/zinc/01/51/55/1075015155.db2.gz OPZZMNKMRCNUOR-ZIAGYGMSSA-N -1 3 385.316 3.936 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)([NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)[O-] ZINC001592840569 1126217354 /nfs/dbraw/zinc/21/73/54/1126217354.db2.gz OMYQVLONAVHASI-NRFANRHFSA-N -1 3 397.862 3.678 20 0 GHADHM Cc1ccc(C[C@@H](CO)NCc2ccc(-c3ccccc3C(=O)[O-])o2)cc1C ZINC001607774148 1126234508 /nfs/dbraw/zinc/23/45/08/1126234508.db2.gz YGMSELUERZJOLB-SFHVURJKSA-N -1 3 379.456 3.955 20 0 GHADHM Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000010430687 204334245 /nfs/dbraw/zinc/33/42/45/204334245.db2.gz KHOWQQMZCZORFA-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cc(F)ccc1F ZINC000738112213 598834874 /nfs/dbraw/zinc/83/48/74/598834874.db2.gz NALCPJCXVROZJT-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)/C=C/C2CCCCC2)c1C ZINC000737503556 598840453 /nfs/dbraw/zinc/84/04/53/598840453.db2.gz NVTYRBMGNVITIV-MDWZMJQESA-N -1 3 391.479 3.744 20 0 GHADHM CCCCc1nc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736467116 598844836 /nfs/dbraw/zinc/84/48/36/598844836.db2.gz VEZSCYILDUPIFB-UHFFFAOYSA-N -1 3 389.506 3.501 20 0 GHADHM CCCCc1nc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736467116 598844837 /nfs/dbraw/zinc/84/48/37/598844837.db2.gz VEZSCYILDUPIFB-UHFFFAOYSA-N -1 3 389.506 3.501 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc2[nH]ccc21 ZINC000735906233 598850436 /nfs/dbraw/zinc/85/04/36/598850436.db2.gz QAADKZXUZXWQJT-UHFFFAOYSA-N -1 3 377.408 3.779 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc2[nH]ccc21 ZINC000735906233 598850438 /nfs/dbraw/zinc/85/04/38/598850438.db2.gz QAADKZXUZXWQJT-UHFFFAOYSA-N -1 3 377.408 3.779 20 0 GHADHM CSc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737191705 598853068 /nfs/dbraw/zinc/85/30/68/598853068.db2.gz QPGNGYGOBQEMHA-UHFFFAOYSA-N -1 3 392.391 3.834 20 0 GHADHM CSc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737191705 598853070 /nfs/dbraw/zinc/85/30/70/598853070.db2.gz QPGNGYGOBQEMHA-UHFFFAOYSA-N -1 3 392.391 3.834 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(CCC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900640 598884004 /nfs/dbraw/zinc/88/40/04/598884004.db2.gz ZQGPBKWTCPURGG-IBGZPJMESA-N -1 3 379.464 3.782 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(CCC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900640 598884006 /nfs/dbraw/zinc/88/40/06/598884006.db2.gz ZQGPBKWTCPURGG-IBGZPJMESA-N -1 3 379.464 3.782 20 0 GHADHM CC[C@@H]1CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736401011 598890480 /nfs/dbraw/zinc/89/04/80/598890480.db2.gz FVJVSLQVDHSEJR-OAHLLOKOSA-N -1 3 382.493 3.679 20 0 GHADHM O=C(c1cscn1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738293280 598892511 /nfs/dbraw/zinc/89/25/11/598892511.db2.gz WDKKCGNMKUKWLP-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1cscn1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738293280 598892513 /nfs/dbraw/zinc/89/25/13/598892513.db2.gz WDKKCGNMKUKWLP-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CCC[C@@H]1C1CC1 ZINC000738110487 598890730 /nfs/dbraw/zinc/89/07/30/598890730.db2.gz DPSCSQHJYQDISC-MRXNPFEDSA-N -1 3 394.504 3.679 20 0 GHADHM Cc1cc(C(=O)CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)c(C)[nH]1 ZINC000737227415 598902451 /nfs/dbraw/zinc/90/24/51/598902451.db2.gz KZDGKNPGGKGFGQ-UHFFFAOYSA-N -1 3 390.472 3.849 20 0 GHADHM Cc1cc(C(=O)CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)c(C)[nH]1 ZINC000737227415 598902454 /nfs/dbraw/zinc/90/24/54/598902454.db2.gz KZDGKNPGGKGFGQ-UHFFFAOYSA-N -1 3 390.472 3.849 20 0 GHADHM CC(C)(C)C(=O)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000735586198 598902659 /nfs/dbraw/zinc/90/26/59/598902659.db2.gz KQZMVKSMMLHWPV-SNVBAGLBSA-N -1 3 389.525 3.633 20 0 GHADHM CC(C)(C)C(=O)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000735586198 598902660 /nfs/dbraw/zinc/90/26/60/598902660.db2.gz KQZMVKSMMLHWPV-SNVBAGLBSA-N -1 3 389.525 3.633 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000737278613 598905113 /nfs/dbraw/zinc/90/51/13/598905113.db2.gz KHUIZZDYMVTZSQ-UHFFFAOYSA-N -1 3 396.423 3.647 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000737278613 598905114 /nfs/dbraw/zinc/90/51/14/598905114.db2.gz KHUIZZDYMVTZSQ-UHFFFAOYSA-N -1 3 396.423 3.647 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737803441 598910675 /nfs/dbraw/zinc/91/06/75/598910675.db2.gz SRAQMDCNMHVKNO-KHPPLWFESA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737803441 598910676 /nfs/dbraw/zinc/91/06/76/598910676.db2.gz SRAQMDCNMHVKNO-KHPPLWFESA-N -1 3 384.399 3.706 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736253886 598926056 /nfs/dbraw/zinc/92/60/56/598926056.db2.gz PDRWRCRBCILNMQ-QAPCUYQASA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736253886 598926057 /nfs/dbraw/zinc/92/60/57/598926057.db2.gz PDRWRCRBCILNMQ-QAPCUYQASA-N -1 3 391.475 3.754 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736472761 598926373 /nfs/dbraw/zinc/92/63/73/598926373.db2.gz YYMJFEBTYKFUKA-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736472761 598926375 /nfs/dbraw/zinc/92/63/75/598926375.db2.gz YYMJFEBTYKFUKA-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H](CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000735975646 598930526 /nfs/dbraw/zinc/93/05/26/598930526.db2.gz NNHHZIZWZMMCQE-INIZCTEOSA-N -1 3 396.539 3.558 20 0 GHADHM C[C@@H](CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000735975646 598930527 /nfs/dbraw/zinc/93/05/27/598930527.db2.gz NNHHZIZWZMMCQE-INIZCTEOSA-N -1 3 396.539 3.558 20 0 GHADHM CCC1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736410545 598932855 /nfs/dbraw/zinc/93/28/55/598932855.db2.gz OLKQMVXGWJVOMY-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CCC1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736410545 598932857 /nfs/dbraw/zinc/93/28/57/598932857.db2.gz OLKQMVXGWJVOMY-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736400644 598942193 /nfs/dbraw/zinc/94/21/93/598942193.db2.gz QGDSOGATYGVHLH-WMLDXEAASA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736400644 598942195 /nfs/dbraw/zinc/94/21/95/598942195.db2.gz QGDSOGATYGVHLH-WMLDXEAASA-N -1 3 395.463 3.737 20 0 GHADHM CCc1noc([C@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000736712084 598961217 /nfs/dbraw/zinc/96/12/17/598961217.db2.gz BGFBSGMVHJOTPU-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1noc([C@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000736712084 598961218 /nfs/dbraw/zinc/96/12/18/598961218.db2.gz BGFBSGMVHJOTPU-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(COc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000735654126 598967877 /nfs/dbraw/zinc/96/78/77/598967877.db2.gz ACXWXTDUSFWQCJ-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(COc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000735654126 598967878 /nfs/dbraw/zinc/96/78/78/598967878.db2.gz ACXWXTDUSFWQCJ-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737428439 598984001 /nfs/dbraw/zinc/98/40/01/598984001.db2.gz PCOKPFLECQMKIG-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736322916 599005732 /nfs/dbraw/zinc/00/57/32/599005732.db2.gz RBPNICHRGBHNEC-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736312621 599005924 /nfs/dbraw/zinc/00/59/24/599005924.db2.gz DXPDZYKSYJMZFM-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736312621 599005927 /nfs/dbraw/zinc/00/59/27/599005927.db2.gz DXPDZYKSYJMZFM-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737317414 599011315 /nfs/dbraw/zinc/01/13/15/599011315.db2.gz LANQHYHHMGGARL-QGZVFWFLSA-N -1 3 381.505 3.791 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737317414 599011317 /nfs/dbraw/zinc/01/13/17/599011317.db2.gz LANQHYHHMGGARL-QGZVFWFLSA-N -1 3 381.505 3.791 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000735875030 599014915 /nfs/dbraw/zinc/01/49/15/599014915.db2.gz OTABXDWRRZCXRJ-IBGZPJMESA-N -1 3 375.476 3.724 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000735875030 599014917 /nfs/dbraw/zinc/01/49/17/599014917.db2.gz OTABXDWRRZCXRJ-IBGZPJMESA-N -1 3 375.476 3.724 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737337443 599020210 /nfs/dbraw/zinc/02/02/10/599020210.db2.gz MVUPNOREEOLWIO-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737337443 599020211 /nfs/dbraw/zinc/02/02/11/599020211.db2.gz MVUPNOREEOLWIO-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736231862 599022015 /nfs/dbraw/zinc/02/20/15/599022015.db2.gz YHPDAGKQPMKCJM-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736231862 599022016 /nfs/dbraw/zinc/02/20/16/599022016.db2.gz YHPDAGKQPMKCJM-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000126214117 599033938 /nfs/dbraw/zinc/03/39/38/599033938.db2.gz XPSZEKHLQLXLGL-UONOGXRCSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000126214117 599033940 /nfs/dbraw/zinc/03/39/40/599033940.db2.gz XPSZEKHLQLXLGL-UONOGXRCSA-N -1 3 389.337 3.508 20 0 GHADHM CN(Cc1nc2ccccc2s1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736831996 599038957 /nfs/dbraw/zinc/03/89/57/599038957.db2.gz VZMGPHHYLYCIOA-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM CN(Cc1nc2ccccc2s1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736831996 599038959 /nfs/dbraw/zinc/03/89/59/599038959.db2.gz VZMGPHHYLYCIOA-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820777016 599050414 /nfs/dbraw/zinc/05/04/14/599050414.db2.gz OVZQRRJZCWAZLQ-OCCSQVGLSA-N -1 3 388.397 3.911 20 0 GHADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820777016 599050417 /nfs/dbraw/zinc/05/04/17/599050417.db2.gz OVZQRRJZCWAZLQ-OCCSQVGLSA-N -1 3 388.397 3.911 20 0 GHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736367800 599050573 /nfs/dbraw/zinc/05/05/73/599050573.db2.gz CRFDUWYNZFEKRK-JTQLQIEISA-N -1 3 388.357 3.720 20 0 GHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736367800 599050576 /nfs/dbraw/zinc/05/05/76/599050576.db2.gz CRFDUWYNZFEKRK-JTQLQIEISA-N -1 3 388.357 3.720 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736720321 599051315 /nfs/dbraw/zinc/05/13/15/599051315.db2.gz OUCGKVRPKFDNNJ-ZDUSSCGKSA-N -1 3 391.401 3.900 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736720321 599051318 /nfs/dbraw/zinc/05/13/18/599051318.db2.gz OUCGKVRPKFDNNJ-ZDUSSCGKSA-N -1 3 391.401 3.900 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)cc2)n1 ZINC000737635930 599055977 /nfs/dbraw/zinc/05/59/77/599055977.db2.gz QNVGFVDZZJTYMP-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)cc2)n1 ZINC000737635930 599055979 /nfs/dbraw/zinc/05/59/79/599055979.db2.gz QNVGFVDZZJTYMP-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM O=C(CCCc1ccccn1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737836076 599057184 /nfs/dbraw/zinc/05/71/84/599057184.db2.gz MOIWAXAKCWJENI-UHFFFAOYSA-N -1 3 399.454 3.995 20 0 GHADHM O=C(CCCc1ccccn1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737836076 599057187 /nfs/dbraw/zinc/05/71/87/599057187.db2.gz MOIWAXAKCWJENI-UHFFFAOYSA-N -1 3 399.454 3.995 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000737633348 599057353 /nfs/dbraw/zinc/05/73/53/599057353.db2.gz QMCLKXWTAMWDSB-NSHDSACASA-N -1 3 394.788 3.928 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000737633348 599057356 /nfs/dbraw/zinc/05/73/56/599057356.db2.gz QMCLKXWTAMWDSB-NSHDSACASA-N -1 3 394.788 3.928 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737428494 599057875 /nfs/dbraw/zinc/05/78/75/599057875.db2.gz YICMSUDDTSRHTE-AWEZNQCLSA-N -1 3 388.397 3.800 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737428494 599057877 /nfs/dbraw/zinc/05/78/77/599057877.db2.gz YICMSUDDTSRHTE-AWEZNQCLSA-N -1 3 388.397 3.800 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc2ccccc21 ZINC000737946342 599066065 /nfs/dbraw/zinc/06/60/65/599066065.db2.gz BKBWQQZTEZYORC-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc2ccccc21 ZINC000737946342 599066068 /nfs/dbraw/zinc/06/60/68/599066068.db2.gz BKBWQQZTEZYORC-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cccc(N(C)C)c2)n1 ZINC000737243729 599067907 /nfs/dbraw/zinc/06/79/07/599067907.db2.gz AZZSYGRYJGXXTP-UHFFFAOYSA-N -1 3 394.426 3.947 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000821347615 599072044 /nfs/dbraw/zinc/07/20/44/599072044.db2.gz YNBIDSMKIOQMRH-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000821347615 599072046 /nfs/dbraw/zinc/07/20/46/599072046.db2.gz YNBIDSMKIOQMRH-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737940463 599083206 /nfs/dbraw/zinc/08/32/06/599083206.db2.gz FZOAHMYCNDLSMJ-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737940463 599083207 /nfs/dbraw/zinc/08/32/07/599083207.db2.gz FZOAHMYCNDLSMJ-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000736184246 599084017 /nfs/dbraw/zinc/08/40/17/599084017.db2.gz WXQQJSWPKCLCGI-OAHLLOKOSA-N -1 3 395.463 3.589 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000736184246 599084021 /nfs/dbraw/zinc/08/40/21/599084021.db2.gz WXQQJSWPKCLCGI-OAHLLOKOSA-N -1 3 395.463 3.589 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736244877 599087020 /nfs/dbraw/zinc/08/70/20/599087020.db2.gz OPHZVJOUPYXKTJ-LSDHHAIUSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc2ncccc21 ZINC000736189178 599108872 /nfs/dbraw/zinc/10/88/72/599108872.db2.gz BEDJNITXHVMDCO-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc2ncccc21 ZINC000736189178 599108875 /nfs/dbraw/zinc/10/88/75/599108875.db2.gz BEDJNITXHVMDCO-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM CCCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821072579 599127666 /nfs/dbraw/zinc/12/76/66/599127666.db2.gz UCZFXIPVZDEINM-ZDUSSCGKSA-N -1 3 383.477 3.753 20 0 GHADHM CCCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821072579 599127668 /nfs/dbraw/zinc/12/76/68/599127668.db2.gz UCZFXIPVZDEINM-ZDUSSCGKSA-N -1 3 383.477 3.753 20 0 GHADHM CC(C)c1noc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000820211812 599131711 /nfs/dbraw/zinc/13/17/11/599131711.db2.gz XYTJTFXNYCJEQZ-UHFFFAOYSA-N -1 3 395.398 3.917 20 0 GHADHM CC(C)c1noc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000820211812 599131712 /nfs/dbraw/zinc/13/17/12/599131712.db2.gz XYTJTFXNYCJEQZ-UHFFFAOYSA-N -1 3 395.398 3.917 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820870812 599160318 /nfs/dbraw/zinc/16/03/18/599160318.db2.gz ZZGYWCFPZQSXBG-KGLIPLIRSA-N -1 3 380.452 3.609 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820870812 599160321 /nfs/dbraw/zinc/16/03/21/599160321.db2.gz ZZGYWCFPZQSXBG-KGLIPLIRSA-N -1 3 380.452 3.609 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737364121 599156587 /nfs/dbraw/zinc/15/65/87/599156587.db2.gz ICTWQMMFNNUKFT-GFCCVEGCSA-N -1 3 388.374 3.623 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737364121 599156590 /nfs/dbraw/zinc/15/65/90/599156590.db2.gz ICTWQMMFNNUKFT-GFCCVEGCSA-N -1 3 388.374 3.623 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000735977984 599160472 /nfs/dbraw/zinc/16/04/72/599160472.db2.gz YOYOPZYOUXYHDU-HNNXBMFYSA-N -1 3 381.455 3.937 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000735977984 599160474 /nfs/dbraw/zinc/16/04/74/599160474.db2.gz YOYOPZYOUXYHDU-HNNXBMFYSA-N -1 3 381.455 3.937 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000736191431 599170994 /nfs/dbraw/zinc/17/09/94/599170994.db2.gz IPARIBMQKIGWAY-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000736191431 599170998 /nfs/dbraw/zinc/17/09/98/599170998.db2.gz IPARIBMQKIGWAY-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737191133 599171409 /nfs/dbraw/zinc/17/14/09/599171409.db2.gz MDLTUCFZDPCHBZ-SNVBAGLBSA-N -1 3 389.481 3.847 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737191133 599171410 /nfs/dbraw/zinc/17/14/10/599171410.db2.gz MDLTUCFZDPCHBZ-SNVBAGLBSA-N -1 3 389.481 3.847 20 0 GHADHM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737660582 599171415 /nfs/dbraw/zinc/17/14/15/599171415.db2.gz KJRPNIUQNWBUHX-KWQFWETISA-N -1 3 382.296 3.527 20 0 GHADHM Fc1cccc(F)c1[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737660582 599171417 /nfs/dbraw/zinc/17/14/17/599171417.db2.gz KJRPNIUQNWBUHX-KWQFWETISA-N -1 3 382.296 3.527 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1ccc(Cl)cc1 ZINC000738294302 599172297 /nfs/dbraw/zinc/17/22/97/599172297.db2.gz BRTGZLPUERPIIA-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccc(Cl)cc1 ZINC000738294302 599172298 /nfs/dbraw/zinc/17/22/98/599172298.db2.gz BRTGZLPUERPIIA-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(SC(F)(F)F)cc1 ZINC000823241917 599177909 /nfs/dbraw/zinc/17/79/09/599177909.db2.gz JUDCWCFQDYDMNX-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(SC(F)(F)F)cc1 ZINC000823241917 599177910 /nfs/dbraw/zinc/17/79/10/599177910.db2.gz JUDCWCFQDYDMNX-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc2cccc(F)c2o1 ZINC000738208056 599179365 /nfs/dbraw/zinc/17/93/65/599179365.db2.gz JWRSNIFBRPOZAX-UHFFFAOYSA-N -1 3 383.408 3.945 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc2cccc(F)c2o1 ZINC000738208056 599179367 /nfs/dbraw/zinc/17/93/67/599179367.db2.gz JWRSNIFBRPOZAX-UHFFFAOYSA-N -1 3 383.408 3.945 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735446974 599183619 /nfs/dbraw/zinc/18/36/19/599183619.db2.gz AXXSPJLUOUMUDU-BENRWUELSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735446974 599183622 /nfs/dbraw/zinc/18/36/22/599183622.db2.gz AXXSPJLUOUMUDU-BENRWUELSA-N -1 3 387.365 3.952 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000737330243 599182287 /nfs/dbraw/zinc/18/22/87/599182287.db2.gz IOTJDDQOSPKIIP-AWEZNQCLSA-N -1 3 383.456 3.694 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000737330243 599182290 /nfs/dbraw/zinc/18/22/90/599182290.db2.gz IOTJDDQOSPKIIP-AWEZNQCLSA-N -1 3 383.456 3.694 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000819966099 599186652 /nfs/dbraw/zinc/18/66/52/599186652.db2.gz WKTWWYJIPOUSEI-UHFFFAOYSA-N -1 3 392.488 3.955 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000819966099 599186654 /nfs/dbraw/zinc/18/66/54/599186654.db2.gz WKTWWYJIPOUSEI-UHFFFAOYSA-N -1 3 392.488 3.955 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823498675 599191874 /nfs/dbraw/zinc/19/18/74/599191874.db2.gz YGTYTKMYYGKZGZ-GOSISDBHSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823498675 599191878 /nfs/dbraw/zinc/19/18/78/599191878.db2.gz YGTYTKMYYGKZGZ-GOSISDBHSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(NC1CCCC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738023509 599195724 /nfs/dbraw/zinc/19/57/24/599195724.db2.gz GHPCTVXMDZLNJC-UHFFFAOYSA-N -1 3 383.839 3.985 20 0 GHADHM O=C(NC1CCCC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738023509 599195726 /nfs/dbraw/zinc/19/57/26/599195726.db2.gz GHPCTVXMDZLNJC-UHFFFAOYSA-N -1 3 383.839 3.985 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000736121935 599194551 /nfs/dbraw/zinc/19/45/51/599194551.db2.gz GHIBVIAMXKXYGA-NSHDSACASA-N -1 3 383.839 3.841 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461005 599218025 /nfs/dbraw/zinc/21/80/25/599218025.db2.gz IVORYPFVYCFASV-AWEZNQCLSA-N -1 3 396.520 3.872 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232745 599221831 /nfs/dbraw/zinc/22/18/31/599221831.db2.gz ABEHBKDXOCAXHR-KSSFIOAISA-N -1 3 379.464 3.701 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232745 599221832 /nfs/dbraw/zinc/22/18/32/599221832.db2.gz ABEHBKDXOCAXHR-KSSFIOAISA-N -1 3 379.464 3.701 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735748083 599226230 /nfs/dbraw/zinc/22/62/30/599226230.db2.gz HJNLDSWTKVVIGI-GOSISDBHSA-N -1 3 395.463 3.689 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000822761226 599229789 /nfs/dbraw/zinc/22/97/89/599229789.db2.gz CYYUKKYXJTTXRK-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000822761226 599229791 /nfs/dbraw/zinc/22/97/91/599229791.db2.gz CYYUKKYXJTTXRK-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000820741606 599230029 /nfs/dbraw/zinc/23/00/29/599230029.db2.gz DTWVWTIKERSLIE-BDJLRTHQSA-N -1 3 384.896 3.910 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000820741606 599230030 /nfs/dbraw/zinc/23/00/30/599230030.db2.gz DTWVWTIKERSLIE-BDJLRTHQSA-N -1 3 384.896 3.910 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738010743 599231946 /nfs/dbraw/zinc/23/19/46/599231946.db2.gz IUVNEWKAAAJJDM-UHFFFAOYSA-N -1 3 387.365 3.695 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738010743 599231948 /nfs/dbraw/zinc/23/19/48/599231948.db2.gz IUVNEWKAAAJJDM-UHFFFAOYSA-N -1 3 387.365 3.695 20 0 GHADHM S=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1-c1nnn[n-]1 ZINC000823732679 599229118 /nfs/dbraw/zinc/22/91/18/599229118.db2.gz NVVHEHDWQKABFI-UHFFFAOYSA-N -1 3 397.895 3.531 20 0 GHADHM S=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1-c1nn[n-]n1 ZINC000823732679 599229120 /nfs/dbraw/zinc/22/91/20/599229120.db2.gz NVVHEHDWQKABFI-UHFFFAOYSA-N -1 3 397.895 3.531 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233516 599246046 /nfs/dbraw/zinc/24/60/46/599246046.db2.gz QLXPMRNBXZFXTJ-RBUKOAKNSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233516 599246049 /nfs/dbraw/zinc/24/60/49/599246049.db2.gz QLXPMRNBXZFXTJ-RBUKOAKNSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)s1 ZINC000822389007 599247968 /nfs/dbraw/zinc/24/79/68/599247968.db2.gz INRMSJMQFHORQR-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)s1 ZINC000822389007 599247969 /nfs/dbraw/zinc/24/79/69/599247969.db2.gz INRMSJMQFHORQR-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736234175 599249031 /nfs/dbraw/zinc/24/90/31/599249031.db2.gz IJOMFPNLZIHTME-FZKQIMNGSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736234175 599249034 /nfs/dbraw/zinc/24/90/34/599249034.db2.gz IJOMFPNLZIHTME-FZKQIMNGSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380396 599252083 /nfs/dbraw/zinc/25/20/83/599252083.db2.gz RWSLOSLJOZGXED-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380396 599252084 /nfs/dbraw/zinc/25/20/84/599252084.db2.gz RWSLOSLJOZGXED-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM Cc1c(NC(=O)N(CCc2cccc(F)c2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822084898 607284850 /nfs/dbraw/zinc/28/48/50/607284850.db2.gz RTSDKTQOALNDFB-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N(CCc2cccc(F)c2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822084898 607284851 /nfs/dbraw/zinc/28/48/51/607284851.db2.gz RTSDKTQOALNDFB-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820915754 607285449 /nfs/dbraw/zinc/28/54/49/607285449.db2.gz XDXGVSJLJTXETD-QGZVFWFLSA-N -1 3 378.480 3.969 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820915754 607285450 /nfs/dbraw/zinc/28/54/50/607285450.db2.gz XDXGVSJLJTXETD-QGZVFWFLSA-N -1 3 378.480 3.969 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821099794 607290180 /nfs/dbraw/zinc/29/01/80/607290180.db2.gz ODPZBXVAWDXDMR-UHFFFAOYSA-N -1 3 382.443 3.801 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821099794 607290181 /nfs/dbraw/zinc/29/01/81/607290181.db2.gz ODPZBXVAWDXDMR-UHFFFAOYSA-N -1 3 382.443 3.801 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391135 599262414 /nfs/dbraw/zinc/26/24/14/599262414.db2.gz YUBYPVWIWGRSHF-FQEVSTJZSA-N -1 3 375.476 3.862 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391135 599262415 /nfs/dbraw/zinc/26/24/15/599262415.db2.gz YUBYPVWIWGRSHF-FQEVSTJZSA-N -1 3 375.476 3.862 20 0 GHADHM COCCCCN(Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821686899 607292063 /nfs/dbraw/zinc/29/20/63/607292063.db2.gz DUPVTIUOXUUSLL-UHFFFAOYSA-N -1 3 394.479 3.636 20 0 GHADHM COCCCCN(Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821686899 607292064 /nfs/dbraw/zinc/29/20/64/607292064.db2.gz DUPVTIUOXUUSLL-UHFFFAOYSA-N -1 3 394.479 3.636 20 0 GHADHM COc1cccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCCC2)c1 ZINC000821864102 607293994 /nfs/dbraw/zinc/29/39/94/607293994.db2.gz TYLMZLQHBWRCGH-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM COc1cccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCCC2)c1 ZINC000821864102 607293995 /nfs/dbraw/zinc/29/39/95/607293995.db2.gz TYLMZLQHBWRCGH-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736686607 599259726 /nfs/dbraw/zinc/25/97/26/599259726.db2.gz POBDHUUTMGLSGI-QGZVFWFLSA-N -1 3 397.504 3.619 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736686607 599259728 /nfs/dbraw/zinc/25/97/28/599259728.db2.gz POBDHUUTMGLSGI-QGZVFWFLSA-N -1 3 397.504 3.619 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823323471 607301740 /nfs/dbraw/zinc/30/17/40/607301740.db2.gz PGFRVPYSRGEOGD-UHFFFAOYSA-N -1 3 398.854 3.627 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823323471 607301741 /nfs/dbraw/zinc/30/17/41/607301741.db2.gz PGFRVPYSRGEOGD-UHFFFAOYSA-N -1 3 398.854 3.627 20 0 GHADHM c1ccc(COC2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000738433659 599263328 /nfs/dbraw/zinc/26/33/28/599263328.db2.gz WGDXJSLVDSEYFI-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM c1ccc(COC2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000738433659 599263330 /nfs/dbraw/zinc/26/33/30/599263330.db2.gz WGDXJSLVDSEYFI-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM O=C(Nc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1)c1cccs1 ZINC000823368366 607309360 /nfs/dbraw/zinc/30/93/60/607309360.db2.gz VIDOKYJVRLUGFE-UHFFFAOYSA-N -1 3 382.474 3.854 20 0 GHADHM O=C(Nc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1)c1cccs1 ZINC000823368366 607309361 /nfs/dbraw/zinc/30/93/61/607309361.db2.gz VIDOKYJVRLUGFE-UHFFFAOYSA-N -1 3 382.474 3.854 20 0 GHADHM COc1ccc(CNc2ccc(C)cc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821821780 607314186 /nfs/dbraw/zinc/31/41/86/607314186.db2.gz WJRCPBZVAHLJHC-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1ccc(CNc2ccc(C)cc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821821780 607314187 /nfs/dbraw/zinc/31/41/87/607314187.db2.gz WJRCPBZVAHLJHC-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823309038 607304206 /nfs/dbraw/zinc/30/42/06/607304206.db2.gz QPMBSIXMEVYIQJ-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823309038 607304207 /nfs/dbraw/zinc/30/42/07/607304207.db2.gz QPMBSIXMEVYIQJ-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM FC(F)(F)c1csc(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000822729219 607304731 /nfs/dbraw/zinc/30/47/31/607304731.db2.gz WLBVZUUZYWEEQI-UHFFFAOYSA-N -1 3 392.160 3.897 20 0 GHADHM FC(F)(F)c1csc(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000822729219 607304732 /nfs/dbraw/zinc/30/47/32/607304732.db2.gz WLBVZUUZYWEEQI-UHFFFAOYSA-N -1 3 392.160 3.897 20 0 GHADHM FC(F)(F)c1ccc(NCc2cccc3c2OCCCO3)c(-c2nnn[n-]2)c1 ZINC000822728306 607306332 /nfs/dbraw/zinc/30/63/32/607306332.db2.gz GDUQUQKKEVJRII-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1ccc(NCc2cccc3c2OCCCO3)c(-c2nn[n-]n2)c1 ZINC000822728306 607306333 /nfs/dbraw/zinc/30/63/33/607306333.db2.gz GDUQUQKKEVJRII-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cccc2c1OCCCO2 ZINC000822719088 607306338 /nfs/dbraw/zinc/30/63/38/607306338.db2.gz YWSMKEPKQOOJPL-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820081267 599270780 /nfs/dbraw/zinc/27/07/80/599270780.db2.gz AAZKXYYEOCJRCX-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820081267 599270782 /nfs/dbraw/zinc/27/07/82/599270782.db2.gz AAZKXYYEOCJRCX-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCCC1 ZINC000820374293 599276107 /nfs/dbraw/zinc/27/61/07/599276107.db2.gz NTSWRBBTWJVCIJ-SNVBAGLBSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCCC1 ZINC000820374293 599276110 /nfs/dbraw/zinc/27/61/10/599276110.db2.gz NTSWRBBTWJVCIJ-SNVBAGLBSA-N -1 3 380.399 3.558 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NCCC2CC2)cc1 ZINC000821702877 599274636 /nfs/dbraw/zinc/27/46/36/599274636.db2.gz DZDFOBKJEZQXDJ-UHFFFAOYSA-N -1 3 394.435 3.589 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NCCC2CC2)cc1 ZINC000821702877 599274638 /nfs/dbraw/zinc/27/46/38/599274638.db2.gz DZDFOBKJEZQXDJ-UHFFFAOYSA-N -1 3 394.435 3.589 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820741573 599276291 /nfs/dbraw/zinc/27/62/91/599276291.db2.gz DKCOICXUSHBMTE-XJKSGUPXSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820741573 599276294 /nfs/dbraw/zinc/27/62/94/599276294.db2.gz DKCOICXUSHBMTE-XJKSGUPXSA-N -1 3 380.427 3.663 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)c1ccc(C)cc1 ZINC000736487538 599276548 /nfs/dbraw/zinc/27/65/48/599276548.db2.gz JMBCDVQBOJYSFT-UHFFFAOYSA-N -1 3 392.463 3.599 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820913162 599278859 /nfs/dbraw/zinc/27/88/59/599278859.db2.gz CZPAXAJQOTVOMU-INIZCTEOSA-N -1 3 382.443 3.799 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820913162 599278862 /nfs/dbraw/zinc/27/88/62/599278862.db2.gz CZPAXAJQOTVOMU-INIZCTEOSA-N -1 3 382.443 3.799 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000822208194 599285184 /nfs/dbraw/zinc/28/51/84/599285184.db2.gz GHGAEHCZRMIJQR-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000822208194 599285186 /nfs/dbraw/zinc/28/51/86/599285186.db2.gz GHGAEHCZRMIJQR-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM COc1ccc(-n2ccnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737064512 599288211 /nfs/dbraw/zinc/28/82/11/599288211.db2.gz DLDJVWJQZGJVEK-ZDUSSCGKSA-N -1 3 378.461 3.914 20 0 GHADHM COc1ccc(-n2ccnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737064512 599288215 /nfs/dbraw/zinc/28/82/15/599288215.db2.gz DLDJVWJQZGJVEK-ZDUSSCGKSA-N -1 3 378.461 3.914 20 0 GHADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683894 607326432 /nfs/dbraw/zinc/32/64/32/607326432.db2.gz MTNVTDPZRBFRJF-OAHLLOKOSA-N -1 3 381.333 3.824 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000738269717 598230965 /nfs/dbraw/zinc/23/09/65/598230965.db2.gz QHDCDNMTBVQHDR-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000738269717 598230966 /nfs/dbraw/zinc/23/09/66/598230966.db2.gz QHDCDNMTBVQHDR-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735594790 598232935 /nfs/dbraw/zinc/23/29/35/598232935.db2.gz CGEFVGXVIAHWMI-SFHVURJKSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735594790 598232938 /nfs/dbraw/zinc/23/29/38/598232938.db2.gz CGEFVGXVIAHWMI-SFHVURJKSA-N -1 3 395.463 3.689 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000821100314 607347999 /nfs/dbraw/zinc/34/79/99/607347999.db2.gz YEMSSJJLGPODRV-QGZVFWFLSA-N -1 3 381.505 3.787 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000821100314 607348001 /nfs/dbraw/zinc/34/80/01/607348001.db2.gz YEMSSJJLGPODRV-QGZVFWFLSA-N -1 3 381.505 3.787 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737823736 598236774 /nfs/dbraw/zinc/23/67/74/598236774.db2.gz ALDWWSLQKPFBHQ-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737823736 598236776 /nfs/dbraw/zinc/23/67/76/598236776.db2.gz ALDWWSLQKPFBHQ-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM CCC(CC)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736342913 598263862 /nfs/dbraw/zinc/26/38/62/598263862.db2.gz TXUXGXZMMMTLMX-UHFFFAOYSA-N -1 3 381.440 3.612 20 0 GHADHM Cc1ccc(C)c(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737326098 598264345 /nfs/dbraw/zinc/26/43/45/598264345.db2.gz LMOXSKDJEHMOSR-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1ccc(C)c(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737326098 598264347 /nfs/dbraw/zinc/26/43/47/598264347.db2.gz LMOXSKDJEHMOSR-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736261624 598264531 /nfs/dbraw/zinc/26/45/31/598264531.db2.gz LBIPBTSKQKKSRR-UGSOOPFHSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736261624 598264532 /nfs/dbraw/zinc/26/45/32/598264532.db2.gz LBIPBTSKQKKSRR-UGSOOPFHSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735964187 598266596 /nfs/dbraw/zinc/26/65/96/598266596.db2.gz WQPUFRUVDRIECM-CYBMUJFWSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735964187 598266598 /nfs/dbraw/zinc/26/65/98/598266598.db2.gz WQPUFRUVDRIECM-CYBMUJFWSA-N -1 3 378.436 3.921 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737521089 598275050 /nfs/dbraw/zinc/27/50/50/598275050.db2.gz HRDBHFKHDGTWIC-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737521089 598275051 /nfs/dbraw/zinc/27/50/51/598275051.db2.gz HRDBHFKHDGTWIC-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000735659532 598275685 /nfs/dbraw/zinc/27/56/85/598275685.db2.gz BZJSMKCYNMDSEZ-UHFFFAOYSA-N -1 3 397.458 3.759 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000735659532 598275687 /nfs/dbraw/zinc/27/56/87/598275687.db2.gz BZJSMKCYNMDSEZ-UHFFFAOYSA-N -1 3 397.458 3.759 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736302363 598276292 /nfs/dbraw/zinc/27/62/92/598276292.db2.gz GRQLZXXSYXZKLP-LLVKDONJSA-N -1 3 385.497 3.636 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736302363 598276294 /nfs/dbraw/zinc/27/62/94/598276294.db2.gz GRQLZXXSYXZKLP-LLVKDONJSA-N -1 3 385.497 3.636 20 0 GHADHM CCCOc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736489753 598279790 /nfs/dbraw/zinc/27/97/90/598279790.db2.gz ADXMVKGYPAWPEM-UHFFFAOYSA-N -1 3 397.483 3.534 20 0 GHADHM CCCOc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736489753 598279792 /nfs/dbraw/zinc/27/97/92/598279792.db2.gz ADXMVKGYPAWPEM-UHFFFAOYSA-N -1 3 397.483 3.534 20 0 GHADHM Cc1ccccc1N(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737428563 598297910 /nfs/dbraw/zinc/29/79/10/598297910.db2.gz SGJJOIUUNSBZRN-UHFFFAOYSA-N -1 3 381.505 3.850 20 0 GHADHM Cc1ccccc1N(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737428563 598297912 /nfs/dbraw/zinc/29/79/12/598297912.db2.gz SGJJOIUUNSBZRN-UHFFFAOYSA-N -1 3 381.505 3.850 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738151128 598298409 /nfs/dbraw/zinc/29/84/09/598298409.db2.gz NKKXOEZJOHTJQY-UHFFFAOYSA-N -1 3 383.280 3.773 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738151128 598298410 /nfs/dbraw/zinc/29/84/10/598298410.db2.gz NKKXOEZJOHTJQY-UHFFFAOYSA-N -1 3 383.280 3.773 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(SC(F)(F)F)cc1 ZINC000738103118 598304444 /nfs/dbraw/zinc/30/44/44/598304444.db2.gz YRIDJCRWDZRGKR-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(SC(F)(F)F)cc1 ZINC000738103118 598304446 /nfs/dbraw/zinc/30/44/46/598304446.db2.gz YRIDJCRWDZRGKR-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736330393 598309326 /nfs/dbraw/zinc/30/93/26/598309326.db2.gz XGMICYBJYZHDMI-CYBMUJFWSA-N -1 3 383.427 3.561 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736330393 598309328 /nfs/dbraw/zinc/30/93/28/598309328.db2.gz XGMICYBJYZHDMI-CYBMUJFWSA-N -1 3 383.427 3.561 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000737025882 598314386 /nfs/dbraw/zinc/31/43/86/598314386.db2.gz OSUYPFUKEAJIGI-UHFFFAOYSA-N -1 3 382.226 3.611 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000737025882 598314388 /nfs/dbraw/zinc/31/43/88/598314388.db2.gz OSUYPFUKEAJIGI-UHFFFAOYSA-N -1 3 382.226 3.611 20 0 GHADHM C[C@H](c1cccs1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736204790 598319868 /nfs/dbraw/zinc/31/98/68/598319868.db2.gz VDAKRXSRXMZWMI-SECBINFHSA-N -1 3 378.914 3.971 20 0 GHADHM C[C@H](c1cccs1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736204790 598319870 /nfs/dbraw/zinc/31/98/70/598319870.db2.gz VDAKRXSRXMZWMI-SECBINFHSA-N -1 3 378.914 3.971 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736242063 598319931 /nfs/dbraw/zinc/31/99/31/598319931.db2.gz YWTYEJOFTABSQR-RNCFNFMXSA-N -1 3 388.884 3.723 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736242063 598319932 /nfs/dbraw/zinc/31/99/32/598319932.db2.gz YWTYEJOFTABSQR-RNCFNFMXSA-N -1 3 388.884 3.723 20 0 GHADHM Cc1ccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000737338004 598322629 /nfs/dbraw/zinc/32/26/29/598322629.db2.gz WIHYVZYBLJJSTJ-UHFFFAOYSA-N -1 3 386.912 3.666 20 0 GHADHM Cc1ccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000737338004 598322631 /nfs/dbraw/zinc/32/26/31/598322631.db2.gz WIHYVZYBLJJSTJ-UHFFFAOYSA-N -1 3 386.912 3.666 20 0 GHADHM Fc1cccc([C@H]2C[C@H]2NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737664940 598324356 /nfs/dbraw/zinc/32/43/56/598324356.db2.gz GNCCDJJEFUFFHK-UKRRQHHQSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc([C@H]2C[C@H]2NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737664940 598324358 /nfs/dbraw/zinc/32/43/58/598324358.db2.gz GNCCDJJEFUFFHK-UKRRQHHQSA-N -1 3 388.859 3.502 20 0 GHADHM CC(C)CC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735798697 598325238 /nfs/dbraw/zinc/32/52/38/598325238.db2.gz YILGBFOAKIJXHT-AWEZNQCLSA-N -1 3 383.452 3.593 20 0 GHADHM CC(C)CC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735798697 598325239 /nfs/dbraw/zinc/32/52/39/598325239.db2.gz YILGBFOAKIJXHT-AWEZNQCLSA-N -1 3 383.452 3.593 20 0 GHADHM O=C(Oc1c(F)cccc1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738250579 598326136 /nfs/dbraw/zinc/32/61/36/598326136.db2.gz IJYLPKMAIOHTTP-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM O=C(Oc1c(F)cccc1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738250579 598326137 /nfs/dbraw/zinc/32/61/37/598326137.db2.gz IJYLPKMAIOHTTP-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736337172 598329490 /nfs/dbraw/zinc/32/94/90/598329490.db2.gz IIWZCBSZYYGQKZ-UHFFFAOYSA-N -1 3 397.479 3.937 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736337172 598329492 /nfs/dbraw/zinc/32/94/92/598329492.db2.gz IIWZCBSZYYGQKZ-UHFFFAOYSA-N -1 3 397.479 3.937 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000737056265 598365367 /nfs/dbraw/zinc/36/53/67/598365367.db2.gz BCAVLHHTOKYNKI-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000737056265 598365368 /nfs/dbraw/zinc/36/53/68/598365368.db2.gz BCAVLHHTOKYNKI-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737462968 598371848 /nfs/dbraw/zinc/37/18/48/598371848.db2.gz BZJMRZSOLIEQPN-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737462968 598371850 /nfs/dbraw/zinc/37/18/50/598371850.db2.gz BZJMRZSOLIEQPN-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737145652 598372577 /nfs/dbraw/zinc/37/25/77/598372577.db2.gz DLCWLWNUKITKGK-QGZVFWFLSA-N -1 3 396.426 3.774 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737145652 598372579 /nfs/dbraw/zinc/37/25/79/598372579.db2.gz DLCWLWNUKITKGK-QGZVFWFLSA-N -1 3 396.426 3.774 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)c(Cl)c1 ZINC000738321031 598381238 /nfs/dbraw/zinc/38/12/38/598381238.db2.gz VETABKWMDNPVTH-ZSOIEALJSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)c(Cl)c1 ZINC000738321031 598381239 /nfs/dbraw/zinc/38/12/39/598381239.db2.gz VETABKWMDNPVTH-ZSOIEALJSA-N -1 3 386.198 3.518 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000737896384 598383906 /nfs/dbraw/zinc/38/39/06/598383906.db2.gz WYCPOHLKRNRZNI-NRFANRHFSA-N -1 3 398.470 3.796 20 0 GHADHM COc1ccc2oc([C@H](C)Nc3nc4c(cc3-c3nnn[n-]3)CCC4)c(C)c2c1 ZINC000737119520 598388452 /nfs/dbraw/zinc/38/84/52/598388452.db2.gz CNNDWGQSEKDKJM-LBPRGKRZSA-N -1 3 390.447 3.987 20 0 GHADHM COc1ccc2oc([C@H](C)Nc3nc4c(cc3-c3nn[n-]n3)CCC4)c(C)c2c1 ZINC000737119520 598388454 /nfs/dbraw/zinc/38/84/54/598388454.db2.gz CNNDWGQSEKDKJM-LBPRGKRZSA-N -1 3 390.447 3.987 20 0 GHADHM Cc1ccc(C)c(CS[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737322757 598393026 /nfs/dbraw/zinc/39/30/26/598393026.db2.gz MYNODHBLZZMLEX-SFHVURJKSA-N -1 3 379.489 3.522 20 0 GHADHM Cc1ccc(C)c(CS[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737322757 598393028 /nfs/dbraw/zinc/39/30/28/598393028.db2.gz MYNODHBLZZMLEX-SFHVURJKSA-N -1 3 379.489 3.522 20 0 GHADHM COc1cccc([C@H]2C[C@H]2C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125291 598396204 /nfs/dbraw/zinc/39/62/04/598396204.db2.gz AIUFFVXIVLWKOR-WOJBJXKFSA-N -1 3 391.475 3.668 20 0 GHADHM COc1cccc([C@H]2C[C@H]2C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125291 598396205 /nfs/dbraw/zinc/39/62/05/598396205.db2.gz AIUFFVXIVLWKOR-WOJBJXKFSA-N -1 3 391.475 3.668 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736189244 598416997 /nfs/dbraw/zinc/41/69/97/598416997.db2.gz BMTPCHYRKUHCGW-WFASDCNBSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736189244 598416999 /nfs/dbraw/zinc/41/69/99/598416999.db2.gz BMTPCHYRKUHCGW-WFASDCNBSA-N -1 3 385.518 3.773 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000730521593 598419264 /nfs/dbraw/zinc/41/92/64/598419264.db2.gz UGOIBXPSBVKWCE-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000730521593 598419266 /nfs/dbraw/zinc/41/92/66/598419266.db2.gz UGOIBXPSBVKWCE-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737418491 598428652 /nfs/dbraw/zinc/42/86/52/598428652.db2.gz BLKAQNWJFWQHQU-INIZCTEOSA-N -1 3 378.480 3.856 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737418491 598428654 /nfs/dbraw/zinc/42/86/54/598428654.db2.gz BLKAQNWJFWQHQU-INIZCTEOSA-N -1 3 378.480 3.856 20 0 GHADHM CC[C@@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000736351026 598428805 /nfs/dbraw/zinc/42/88/05/598428805.db2.gz PIAUVDKOGUMQPJ-SFHVURJKSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000736351026 598428806 /nfs/dbraw/zinc/42/88/06/598428806.db2.gz PIAUVDKOGUMQPJ-SFHVURJKSA-N -1 3 392.507 3.981 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736111135 598432906 /nfs/dbraw/zinc/43/29/06/598432906.db2.gz KTMDKEFKCOOALD-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736111135 598432908 /nfs/dbraw/zinc/43/29/08/598432908.db2.gz KTMDKEFKCOOALD-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](CN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736000587 598440951 /nfs/dbraw/zinc/44/09/51/598440951.db2.gz KZWZOXDSLIRWBA-LBPRGKRZSA-N -1 3 386.912 3.952 20 0 GHADHM C[C@@H](CN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736000587 598440952 /nfs/dbraw/zinc/44/09/52/598440952.db2.gz KZWZOXDSLIRWBA-LBPRGKRZSA-N -1 3 386.912 3.952 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000600200075 598441696 /nfs/dbraw/zinc/44/16/96/598441696.db2.gz NBXYRIMMXFAUIV-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000600200075 598441698 /nfs/dbraw/zinc/44/16/98/598441698.db2.gz NBXYRIMMXFAUIV-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738406979 598441866 /nfs/dbraw/zinc/44/18/66/598441866.db2.gz FEGXYSULXTUGON-INIZCTEOSA-N -1 3 378.505 3.833 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738406979 598441869 /nfs/dbraw/zinc/44/18/69/598441869.db2.gz FEGXYSULXTUGON-INIZCTEOSA-N -1 3 378.505 3.833 20 0 GHADHM CCCCCCOCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736445480 598442358 /nfs/dbraw/zinc/44/23/58/598442358.db2.gz BGKQBWPFHINZIA-UHFFFAOYSA-N -1 3 383.452 3.590 20 0 GHADHM CCCCCCOCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736445480 598442360 /nfs/dbraw/zinc/44/23/60/598442360.db2.gz BGKQBWPFHINZIA-UHFFFAOYSA-N -1 3 383.452 3.590 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736204872 598442428 /nfs/dbraw/zinc/44/24/28/598442428.db2.gz WQZNTMCBNUHNPS-CQSZACIVSA-N -1 3 390.472 3.727 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736204872 598442430 /nfs/dbraw/zinc/44/24/30/598442430.db2.gz WQZNTMCBNUHNPS-CQSZACIVSA-N -1 3 390.472 3.727 20 0 GHADHM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736431321 598452291 /nfs/dbraw/zinc/45/22/91/598452291.db2.gz QJWSJTYEELRBKI-AWEZNQCLSA-N -1 3 390.369 3.552 20 0 GHADHM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736431321 598452292 /nfs/dbraw/zinc/45/22/92/598452292.db2.gz QJWSJTYEELRBKI-AWEZNQCLSA-N -1 3 390.369 3.552 20 0 GHADHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n(C(C)(C)C)n1 ZINC000735648161 598452977 /nfs/dbraw/zinc/45/29/77/598452977.db2.gz NZPZMFLEXJVJRM-VAWYXSNFSA-N -1 3 393.495 3.768 20 0 GHADHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n(C(C)(C)C)n1 ZINC000735648161 598452979 /nfs/dbraw/zinc/45/29/79/598452979.db2.gz NZPZMFLEXJVJRM-VAWYXSNFSA-N -1 3 393.495 3.768 20 0 GHADHM CC[C@](C)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736316659 598455575 /nfs/dbraw/zinc/45/55/75/598455575.db2.gz YQBVJTRBMYAMLZ-FQEVSTJZSA-N -1 3 381.505 3.542 20 0 GHADHM CC[C@](C)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736316659 598455577 /nfs/dbraw/zinc/45/55/77/598455577.db2.gz YQBVJTRBMYAMLZ-FQEVSTJZSA-N -1 3 381.505 3.542 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccc2[nH]ccc2c1 ZINC000738171728 598460290 /nfs/dbraw/zinc/46/02/90/598460290.db2.gz KAIJAEGNCXAKKL-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1Cl ZINC000737570134 598461124 /nfs/dbraw/zinc/46/11/24/598461124.db2.gz CBDXFNBWGCTWBT-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)cc1Cl ZINC000737570134 598461125 /nfs/dbraw/zinc/46/11/25/598461125.db2.gz CBDXFNBWGCTWBT-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM COc1ccc(OC)c(Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000737108805 598464962 /nfs/dbraw/zinc/46/49/62/598464962.db2.gz CWVYVMGLNYGERG-UHFFFAOYSA-N -1 3 380.433 3.751 20 0 GHADHM COc1ccc(OC)c(Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000737108805 598464964 /nfs/dbraw/zinc/46/49/64/598464964.db2.gz CWVYVMGLNYGERG-UHFFFAOYSA-N -1 3 380.433 3.751 20 0 GHADHM CC(C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735672001 598467752 /nfs/dbraw/zinc/46/77/52/598467752.db2.gz ZQLULWGVAWIHGV-UHFFFAOYSA-N -1 3 390.369 3.942 20 0 GHADHM CC(C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735672001 598467753 /nfs/dbraw/zinc/46/77/53/598467753.db2.gz ZQLULWGVAWIHGV-UHFFFAOYSA-N -1 3 390.369 3.942 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737464456 598468185 /nfs/dbraw/zinc/46/81/85/598468185.db2.gz KFEYQFPRMZVYMS-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737464456 598468186 /nfs/dbraw/zinc/46/81/86/598468186.db2.gz KFEYQFPRMZVYMS-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1nc([C@@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)cs1 ZINC000737471145 598469027 /nfs/dbraw/zinc/46/90/27/598469027.db2.gz PNOWXKZKKQREIP-LLVKDONJSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1nc([C@@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)cs1 ZINC000737471145 598469028 /nfs/dbraw/zinc/46/90/28/598469028.db2.gz PNOWXKZKKQREIP-LLVKDONJSA-N -1 3 390.476 3.914 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737087901 598475505 /nfs/dbraw/zinc/47/55/05/598475505.db2.gz JYQYXHMQCYDIJG-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737087901 598475507 /nfs/dbraw/zinc/47/55/07/598475507.db2.gz JYQYXHMQCYDIJG-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000735670307 598477505 /nfs/dbraw/zinc/47/75/05/598477505.db2.gz MTUFCVZTCGHOIY-UHFFFAOYSA-N -1 3 390.491 3.519 20 0 GHADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000735670307 598477507 /nfs/dbraw/zinc/47/75/07/598477507.db2.gz MTUFCVZTCGHOIY-UHFFFAOYSA-N -1 3 390.491 3.519 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737068060 598484826 /nfs/dbraw/zinc/48/48/26/598484826.db2.gz ZEFYTQYTGRRHNT-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737068060 598484827 /nfs/dbraw/zinc/48/48/27/598484827.db2.gz ZEFYTQYTGRRHNT-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1CC(F)(F)F ZINC000737238371 598488128 /nfs/dbraw/zinc/48/81/28/598488128.db2.gz LVOSAUWLXTWLHV-GFCCVEGCSA-N -1 3 393.369 3.765 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1CC(F)(F)F ZINC000737238371 598488130 /nfs/dbraw/zinc/48/81/30/598488130.db2.gz LVOSAUWLXTWLHV-GFCCVEGCSA-N -1 3 393.369 3.765 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737153112 598488689 /nfs/dbraw/zinc/48/86/89/598488689.db2.gz QCWHHDSMGDQIRG-CQSZACIVSA-N -1 3 396.495 3.639 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737153112 598488690 /nfs/dbraw/zinc/48/86/90/598488690.db2.gz QCWHHDSMGDQIRG-CQSZACIVSA-N -1 3 396.495 3.639 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736303712 598489528 /nfs/dbraw/zinc/48/95/28/598489528.db2.gz KCEHTOXVTUAFKF-YVZNUBBCSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736303712 598489530 /nfs/dbraw/zinc/48/95/30/598489530.db2.gz KCEHTOXVTUAFKF-YVZNUBBCSA-N -1 3 394.431 3.592 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737490330 598490413 /nfs/dbraw/zinc/49/04/13/598490413.db2.gz SVJRWAVBEOQCLU-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737490330 598490414 /nfs/dbraw/zinc/49/04/14/598490414.db2.gz SVJRWAVBEOQCLU-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000735655424 598490428 /nfs/dbraw/zinc/49/04/28/598490428.db2.gz OLCIEKPZHLBVSA-KHPPLWFESA-N -1 3 387.447 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000735655424 598490429 /nfs/dbraw/zinc/49/04/29/598490429.db2.gz OLCIEKPZHLBVSA-KHPPLWFESA-N -1 3 387.447 3.623 20 0 GHADHM C[C@H](Sc1ccnc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736193856 598503554 /nfs/dbraw/zinc/50/35/54/598503554.db2.gz UNTIWNJKEMYWTE-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@H](Sc1ccnc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736193856 598503555 /nfs/dbraw/zinc/50/35/55/598503555.db2.gz UNTIWNJKEMYWTE-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000738383287 598504348 /nfs/dbraw/zinc/50/43/48/598504348.db2.gz AMUOBEPSVYYVAG-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000738383287 598504349 /nfs/dbraw/zinc/50/43/49/598504349.db2.gz AMUOBEPSVYYVAG-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM Clc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1-c1nnn[n-]1 ZINC000737565033 598508062 /nfs/dbraw/zinc/50/80/62/598508062.db2.gz MPVAZKDTFKFATG-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1-c1nn[n-]n1 ZINC000737565033 598508063 /nfs/dbraw/zinc/50/80/63/598508063.db2.gz MPVAZKDTFKFATG-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM c1cc(-c2nc(CSCCOc3ccccc3-c3nnn[n-]3)cs2)co1 ZINC000738425870 598512884 /nfs/dbraw/zinc/51/28/84/598512884.db2.gz OVPHFKRAUCGHHW-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM c1cc(-c2nc(CSCCOc3ccccc3-c3nn[n-]n3)cs2)co1 ZINC000738425870 598512887 /nfs/dbraw/zinc/51/28/87/598512887.db2.gz OVPHFKRAUCGHHW-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccccc3)nc2)c1-c1nnn[n-]1 ZINC000736674349 598513773 /nfs/dbraw/zinc/51/37/73/598513773.db2.gz BZIWGBKQUHHTIA-UHFFFAOYSA-N -1 3 391.460 3.508 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccccc3)nc2)c1-c1nn[n-]n1 ZINC000736674349 598513775 /nfs/dbraw/zinc/51/37/75/598513775.db2.gz BZIWGBKQUHHTIA-UHFFFAOYSA-N -1 3 391.460 3.508 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000736669371 598515433 /nfs/dbraw/zinc/51/54/33/598515433.db2.gz GCAIYKGUFRQGEB-UHFFFAOYSA-N -1 3 377.420 3.649 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000736669371 598515434 /nfs/dbraw/zinc/51/54/34/598515434.db2.gz GCAIYKGUFRQGEB-UHFFFAOYSA-N -1 3 377.420 3.649 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)on2)c1-c1nnn[n-]1 ZINC000736675724 598517379 /nfs/dbraw/zinc/51/73/79/598517379.db2.gz LAEQFBXFFQRDGC-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)on2)c1-c1nn[n-]n1 ZINC000736675724 598517381 /nfs/dbraw/zinc/51/73/81/598517381.db2.gz LAEQFBXFFQRDGC-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736425954 598518181 /nfs/dbraw/zinc/51/81/81/598518181.db2.gz LJJONXTZLZYFJT-LJQANCHMSA-N -1 3 395.532 3.628 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736425954 598518183 /nfs/dbraw/zinc/51/81/83/598518183.db2.gz LJJONXTZLZYFJT-LJQANCHMSA-N -1 3 395.532 3.628 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737149055 598533424 /nfs/dbraw/zinc/53/34/24/598533424.db2.gz VXRVBJRFDOKTMP-INIZCTEOSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737149055 598533426 /nfs/dbraw/zinc/53/34/26/598533426.db2.gz VXRVBJRFDOKTMP-INIZCTEOSA-N -1 3 398.854 3.898 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736337301 598540271 /nfs/dbraw/zinc/54/02/71/598540271.db2.gz JNOMZQHIAQCZCE-UHFFFAOYSA-N -1 3 397.479 3.937 20 0 GHADHM Cc1ccc(C)c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000737324046 598541154 /nfs/dbraw/zinc/54/11/54/598541154.db2.gz ZEVPQOZCPMNCOH-UHFFFAOYSA-N -1 3 377.492 3.711 20 0 GHADHM Cc1ccc(C)c(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000737324046 598541156 /nfs/dbraw/zinc/54/11/56/598541156.db2.gz ZEVPQOZCPMNCOH-UHFFFAOYSA-N -1 3 377.492 3.711 20 0 GHADHM O=C(NCCC1CCCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738055306 598541187 /nfs/dbraw/zinc/54/11/87/598541187.db2.gz KGBUHPDGHXJWTQ-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000736689769 598543609 /nfs/dbraw/zinc/54/36/09/598543609.db2.gz SNQZNEGIYDQIND-LLVKDONJSA-N -1 3 387.390 3.773 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736689769 598543610 /nfs/dbraw/zinc/54/36/10/598543610.db2.gz SNQZNEGIYDQIND-LLVKDONJSA-N -1 3 387.390 3.773 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccsc1 ZINC000738171133 598544715 /nfs/dbraw/zinc/54/47/15/598544715.db2.gz BXXTXFJBXNVYMY-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccsc1 ZINC000738171133 598544716 /nfs/dbraw/zinc/54/47/16/598544716.db2.gz BXXTXFJBXNVYMY-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM COc1ccsc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737160311 598553529 /nfs/dbraw/zinc/55/35/29/598553529.db2.gz ZJRQVCPJISBJEM-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1ccsc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737160311 598553531 /nfs/dbraw/zinc/55/35/31/598553531.db2.gz ZJRQVCPJISBJEM-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736252954 598561423 /nfs/dbraw/zinc/56/14/23/598561423.db2.gz SHWHIASPRORTKF-PWSUYJOCSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736252954 598561424 /nfs/dbraw/zinc/56/14/24/598561424.db2.gz SHWHIASPRORTKF-PWSUYJOCSA-N -1 3 380.399 3.511 20 0 GHADHM Cc1nc(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)oc1C ZINC000737481612 598561811 /nfs/dbraw/zinc/56/18/11/598561811.db2.gz AYTVVGDIVQUGFI-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cc1nc(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)oc1C ZINC000737481612 598561812 /nfs/dbraw/zinc/56/18/12/598561812.db2.gz AYTVVGDIVQUGFI-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736369026 598564977 /nfs/dbraw/zinc/56/49/77/598564977.db2.gz JROFBUVUILELSN-HNAYVOBHSA-N -1 3 378.480 3.667 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736369026 598564978 /nfs/dbraw/zinc/56/49/78/598564978.db2.gz JROFBUVUILELSN-HNAYVOBHSA-N -1 3 378.480 3.667 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737798599 598587926 /nfs/dbraw/zinc/58/79/26/598587926.db2.gz MTHDFNZPVPOZIC-VURMDHGXSA-N -1 3 394.797 3.859 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737798599 598587928 /nfs/dbraw/zinc/58/79/28/598587928.db2.gz MTHDFNZPVPOZIC-VURMDHGXSA-N -1 3 394.797 3.859 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737936419 598591115 /nfs/dbraw/zinc/59/11/15/598591115.db2.gz PQZOFCMPUNZOPK-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737936419 598591116 /nfs/dbraw/zinc/59/11/16/598591116.db2.gz PQZOFCMPUNZOPK-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000735977715 598592320 /nfs/dbraw/zinc/59/23/20/598592320.db2.gz QZTOFUYZDZNVNI-ZDUSSCGKSA-N -1 3 395.438 3.960 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000735977715 598592321 /nfs/dbraw/zinc/59/23/21/598592321.db2.gz QZTOFUYZDZNVNI-ZDUSSCGKSA-N -1 3 395.438 3.960 20 0 GHADHM CC(C)CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735798742 598593361 /nfs/dbraw/zinc/59/33/61/598593361.db2.gz ZGRQZUCHUNFSGK-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM CC(C)CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735798742 598593362 /nfs/dbraw/zinc/59/33/62/598593362.db2.gz ZGRQZUCHUNFSGK-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737242014 598599236 /nfs/dbraw/zinc/59/92/36/598599236.db2.gz ULKGDXITYOKEFN-UHFFFAOYSA-N -1 3 395.438 3.923 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737242014 598599238 /nfs/dbraw/zinc/59/92/38/598599238.db2.gz ULKGDXITYOKEFN-UHFFFAOYSA-N -1 3 395.438 3.923 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000736169483 598612356 /nfs/dbraw/zinc/61/23/56/598612356.db2.gz NVRNSPVKJLNSFC-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000738163676 598624877 /nfs/dbraw/zinc/62/48/77/598624877.db2.gz SJRZFZDARNMLDE-UHFFFAOYSA-N -1 3 392.394 3.833 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000738163676 598624878 /nfs/dbraw/zinc/62/48/78/598624878.db2.gz SJRZFZDARNMLDE-UHFFFAOYSA-N -1 3 392.394 3.833 20 0 GHADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816926 598630348 /nfs/dbraw/zinc/63/03/48/598630348.db2.gz PJYKYHKUVGVBNE-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816926 598630350 /nfs/dbraw/zinc/63/03/50/598630350.db2.gz PJYKYHKUVGVBNE-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000736115340 598633895 /nfs/dbraw/zinc/63/38/95/598633895.db2.gz HGHONUBXSMFXTA-LBPRGKRZSA-N -1 3 396.426 3.505 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000736115340 598633896 /nfs/dbraw/zinc/63/38/96/598633896.db2.gz HGHONUBXSMFXTA-LBPRGKRZSA-N -1 3 396.426 3.505 20 0 GHADHM CCCCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736453508 598634153 /nfs/dbraw/zinc/63/41/53/598634153.db2.gz ONLYVSKSXQOUFU-UHFFFAOYSA-N -1 3 398.442 3.849 20 0 GHADHM CCCCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736453508 598634155 /nfs/dbraw/zinc/63/41/55/598634155.db2.gz ONLYVSKSXQOUFU-UHFFFAOYSA-N -1 3 398.442 3.849 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000736636711 598636964 /nfs/dbraw/zinc/63/69/64/598636964.db2.gz QUXRYDSQSIRLNI-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000736636711 598636965 /nfs/dbraw/zinc/63/69/65/598636965.db2.gz QUXRYDSQSIRLNI-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM Cc1cnn(CCCCCSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)c1 ZINC000737447939 598641448 /nfs/dbraw/zinc/64/14/48/598641448.db2.gz HNCCVMRDPVINTL-UHFFFAOYSA-N -1 3 383.525 3.526 20 0 GHADHM Cc1cnn(CCCCCSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)c1 ZINC000737447939 598641450 /nfs/dbraw/zinc/64/14/50/598641450.db2.gz HNCCVMRDPVINTL-UHFFFAOYSA-N -1 3 383.525 3.526 20 0 GHADHM O=C(OC1CCCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738212108 598645498 /nfs/dbraw/zinc/64/54/98/598645498.db2.gz CGXPYNXJOUYIFQ-UHFFFAOYSA-N -1 3 379.420 3.934 20 0 GHADHM O=C(OC1CCCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738212108 598645500 /nfs/dbraw/zinc/64/55/00/598645500.db2.gz CGXPYNXJOUYIFQ-UHFFFAOYSA-N -1 3 379.420 3.934 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736048856 598646223 /nfs/dbraw/zinc/64/62/23/598646223.db2.gz WVKNNYNKLKFPAC-NSHDSACASA-N -1 3 385.518 3.784 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736048856 598646225 /nfs/dbraw/zinc/64/62/25/598646225.db2.gz WVKNNYNKLKFPAC-NSHDSACASA-N -1 3 385.518 3.784 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736508453 598647729 /nfs/dbraw/zinc/64/77/29/598647729.db2.gz MAQITIWJYJMNFI-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736508453 598647731 /nfs/dbraw/zinc/64/77/31/598647731.db2.gz MAQITIWJYJMNFI-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736559100 598648440 /nfs/dbraw/zinc/64/84/40/598648440.db2.gz VHUPPQBEXIAJHI-UHFFFAOYSA-N -1 3 393.925 3.722 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736559100 598648442 /nfs/dbraw/zinc/64/84/42/598648442.db2.gz VHUPPQBEXIAJHI-UHFFFAOYSA-N -1 3 393.925 3.722 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736482190 598651548 /nfs/dbraw/zinc/65/15/48/598651548.db2.gz XFLSRVVYNTXLTF-UHFFFAOYSA-N -1 3 386.459 3.914 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736482190 598651549 /nfs/dbraw/zinc/65/15/49/598651549.db2.gz XFLSRVVYNTXLTF-UHFFFAOYSA-N -1 3 386.459 3.914 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000735662740 598652888 /nfs/dbraw/zinc/65/28/88/598652888.db2.gz WOIPOLXMVMMOPK-UHFFFAOYSA-N -1 3 393.426 3.605 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000735662740 598652890 /nfs/dbraw/zinc/65/28/90/598652890.db2.gz WOIPOLXMVMMOPK-UHFFFAOYSA-N -1 3 393.426 3.605 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736066155 598653312 /nfs/dbraw/zinc/65/33/12/598653312.db2.gz KWIKGWVXQAUHPK-CQSZACIVSA-N -1 3 389.415 3.613 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736066155 598653313 /nfs/dbraw/zinc/65/33/13/598653313.db2.gz KWIKGWVXQAUHPK-CQSZACIVSA-N -1 3 389.415 3.613 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000737833600 598654024 /nfs/dbraw/zinc/65/40/24/598654024.db2.gz XKQMUGIZQOGDRO-HXUWFJFHSA-N -1 3 397.523 3.987 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000737833600 598654026 /nfs/dbraw/zinc/65/40/26/598654026.db2.gz XKQMUGIZQOGDRO-HXUWFJFHSA-N -1 3 397.523 3.987 20 0 GHADHM CCCC1CCC(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736434132 598654258 /nfs/dbraw/zinc/65/42/58/598654258.db2.gz DNCFKHKJHAYJCE-UHFFFAOYSA-N -1 3 385.512 3.891 20 0 GHADHM CCCC1CCC(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736434132 598654260 /nfs/dbraw/zinc/65/42/60/598654260.db2.gz DNCFKHKJHAYJCE-UHFFFAOYSA-N -1 3 385.512 3.891 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736961179 598658004 /nfs/dbraw/zinc/65/80/04/598658004.db2.gz JPEWKUNAZDKURX-OAHLLOKOSA-N -1 3 395.463 3.762 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736961179 598658006 /nfs/dbraw/zinc/65/80/06/598658006.db2.gz JPEWKUNAZDKURX-OAHLLOKOSA-N -1 3 395.463 3.762 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736556129 598658241 /nfs/dbraw/zinc/65/82/41/598658241.db2.gz NDIDCAKGRFYCMQ-UHFFFAOYSA-N -1 3 389.415 3.914 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736556129 598658243 /nfs/dbraw/zinc/65/82/43/598658243.db2.gz NDIDCAKGRFYCMQ-UHFFFAOYSA-N -1 3 389.415 3.914 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736301726 598664733 /nfs/dbraw/zinc/66/47/33/598664733.db2.gz DKHYYOIRLVJQHU-INIZCTEOSA-N -1 3 391.475 3.562 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736301726 598664735 /nfs/dbraw/zinc/66/47/35/598664735.db2.gz DKHYYOIRLVJQHU-INIZCTEOSA-N -1 3 391.475 3.562 20 0 GHADHM FC(F)(F)c1cc(NCCCCNc2ccccn2)ccc1-c1nnn[n-]1 ZINC000737632702 598671129 /nfs/dbraw/zinc/67/11/29/598671129.db2.gz MKHUVIMYFWPJSR-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM FC(F)(F)c1cc(NCCCCNc2ccccn2)ccc1-c1nn[n-]n1 ZINC000737632702 598671130 /nfs/dbraw/zinc/67/11/30/598671130.db2.gz MKHUVIMYFWPJSR-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM CC(C)(C)C[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735604247 598685852 /nfs/dbraw/zinc/68/58/52/598685852.db2.gz SKORSYDRUMYKAR-QGZVFWFLSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)(C)C[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735604247 598685855 /nfs/dbraw/zinc/68/58/55/598685855.db2.gz SKORSYDRUMYKAR-QGZVFWFLSA-N -1 3 385.512 3.843 20 0 GHADHM CCc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736692731 598696562 /nfs/dbraw/zinc/69/65/62/598696562.db2.gz XSJBJEHIBQNRQR-GFCCVEGCSA-N -1 3 385.468 3.829 20 0 GHADHM CCc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736692731 598696563 /nfs/dbraw/zinc/69/65/63/598696563.db2.gz XSJBJEHIBQNRQR-GFCCVEGCSA-N -1 3 385.468 3.829 20 0 GHADHM CCN(C(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736501620 598696767 /nfs/dbraw/zinc/69/67/67/598696767.db2.gz GGMIUCFCKUBXMI-ZDUSSCGKSA-N -1 3 385.468 3.681 20 0 GHADHM CCN(C(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736501620 598696768 /nfs/dbraw/zinc/69/67/68/598696768.db2.gz GGMIUCFCKUBXMI-ZDUSSCGKSA-N -1 3 385.468 3.681 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000735671767 598698277 /nfs/dbraw/zinc/69/82/77/598698277.db2.gz HFPGLKIRJSVMDI-UHFFFAOYSA-N -1 3 385.447 3.619 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000735671767 598698279 /nfs/dbraw/zinc/69/82/79/598698279.db2.gz HFPGLKIRJSVMDI-UHFFFAOYSA-N -1 3 385.447 3.619 20 0 GHADHM CC(C)c1ccc(OCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735928351 598709234 /nfs/dbraw/zinc/70/92/34/598709234.db2.gz JWQCYPJFLCXDSF-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM CC(C)c1ccc(OCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735928351 598709236 /nfs/dbraw/zinc/70/92/36/598709236.db2.gz JWQCYPJFLCXDSF-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM O=c1[nH]c2ccccc2cc1CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738372025 598713219 /nfs/dbraw/zinc/71/32/19/598713219.db2.gz MSELZDDNWYIXSI-UHFFFAOYSA-N -1 3 393.472 3.823 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736154742 598713299 /nfs/dbraw/zinc/71/32/99/598713299.db2.gz BIZCFUOSYRKOOF-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736154742 598713300 /nfs/dbraw/zinc/71/33/00/598713300.db2.gz BIZCFUOSYRKOOF-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115510 598716385 /nfs/dbraw/zinc/71/63/85/598716385.db2.gz YNHMZOSJGPXZRF-CXAGYDPISA-N -1 3 396.882 3.780 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115510 598716387 /nfs/dbraw/zinc/71/63/87/598716387.db2.gz YNHMZOSJGPXZRF-CXAGYDPISA-N -1 3 396.882 3.780 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115514 598716417 /nfs/dbraw/zinc/71/64/17/598716417.db2.gz YNHMZOSJGPXZRF-GUYCJALGSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115514 598716418 /nfs/dbraw/zinc/71/64/18/598716418.db2.gz YNHMZOSJGPXZRF-GUYCJALGSA-N -1 3 396.882 3.780 20 0 GHADHM Cc1cc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737264654 598724849 /nfs/dbraw/zinc/72/48/49/598724849.db2.gz PHNFGHRGMXGAQR-UHFFFAOYSA-N -1 3 386.477 3.838 20 0 GHADHM Cc1cc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737264654 598724850 /nfs/dbraw/zinc/72/48/50/598724850.db2.gz PHNFGHRGMXGAQR-UHFFFAOYSA-N -1 3 386.477 3.838 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000735875624 598741139 /nfs/dbraw/zinc/74/11/39/598741139.db2.gz XCQHWSUGVINTEN-SFHVURJKSA-N -1 3 389.503 3.799 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000735875624 598741140 /nfs/dbraw/zinc/74/11/40/598741140.db2.gz XCQHWSUGVINTEN-SFHVURJKSA-N -1 3 389.503 3.799 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc2C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501202 598741519 /nfs/dbraw/zinc/74/15/19/598741519.db2.gz ALDYYZOOAJJOTR-IRXDYDNUSA-N -1 3 389.503 3.971 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc2C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501202 598741522 /nfs/dbraw/zinc/74/15/22/598741522.db2.gz ALDYYZOOAJJOTR-IRXDYDNUSA-N -1 3 389.503 3.971 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735618084 598746490 /nfs/dbraw/zinc/74/64/90/598746490.db2.gz GLWOQOKUFOANGL-UHFFFAOYSA-N -1 3 377.492 3.874 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735618084 598746491 /nfs/dbraw/zinc/74/64/91/598746491.db2.gz GLWOQOKUFOANGL-UHFFFAOYSA-N -1 3 377.492 3.874 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737799753 598753909 /nfs/dbraw/zinc/75/39/09/598753909.db2.gz WGYQUIIFANIBQM-RUDMXATFSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737799753 598753911 /nfs/dbraw/zinc/75/39/11/598753911.db2.gz WGYQUIIFANIBQM-RUDMXATFSA-N -1 3 391.431 3.580 20 0 GHADHM CCCCc1nc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000736466798 598764903 /nfs/dbraw/zinc/76/49/03/598764903.db2.gz NYEXMDFLFMMCBP-UHFFFAOYSA-N -1 3 398.536 3.709 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736211660 598782110 /nfs/dbraw/zinc/78/21/10/598782110.db2.gz QVLNXRVTEKKZIS-CQSZACIVSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736211660 598782111 /nfs/dbraw/zinc/78/21/11/598782111.db2.gz QVLNXRVTEKKZIS-CQSZACIVSA-N -1 3 378.436 3.827 20 0 GHADHM c1c(COc2ccc(-c3noc(C4CC4)n3)cc2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738445391 598789398 /nfs/dbraw/zinc/78/93/98/598789398.db2.gz GGYXSTMUCMZJRD-UHFFFAOYSA-N -1 3 399.414 3.626 20 0 GHADHM c1c(COc2ccc(-c3noc(C4CC4)n3)cc2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738445391 598789399 /nfs/dbraw/zinc/78/93/99/598789399.db2.gz GGYXSTMUCMZJRD-UHFFFAOYSA-N -1 3 399.414 3.626 20 0 GHADHM Fc1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)c(-c2nnn[n-]2)c1 ZINC000737647266 598789404 /nfs/dbraw/zinc/78/94/04/598789404.db2.gz AVAVEVSULRTNIR-UHFFFAOYSA-N -1 3 378.367 3.512 20 0 GHADHM Fc1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)c(-c2nn[n-]n2)c1 ZINC000737647266 598789405 /nfs/dbraw/zinc/78/94/05/598789405.db2.gz AVAVEVSULRTNIR-UHFFFAOYSA-N -1 3 378.367 3.512 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@@H]1CCc2ccccc21 ZINC000738171139 598791098 /nfs/dbraw/zinc/79/10/98/598791098.db2.gz CCJZBFFEAJMUJG-LJQANCHMSA-N -1 3 398.426 3.723 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@@H]1CCc2ccccc21 ZINC000738171139 598791099 /nfs/dbraw/zinc/79/10/99/598791099.db2.gz CCJZBFFEAJMUJG-LJQANCHMSA-N -1 3 398.426 3.723 20 0 GHADHM CC(C)Cc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735851207 598807452 /nfs/dbraw/zinc/80/74/52/598807452.db2.gz YUJCPNGCAYNSEH-UHFFFAOYSA-N -1 3 387.447 3.503 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736194262 598813933 /nfs/dbraw/zinc/81/39/33/598813933.db2.gz YRWBJTMBEKGHFV-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736194262 598813936 /nfs/dbraw/zinc/81/39/36/598813936.db2.gz YRWBJTMBEKGHFV-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1coc2ccccc12 ZINC000736627106 598821479 /nfs/dbraw/zinc/82/14/79/598821479.db2.gz KVUQBQMLPWEZTH-UHFFFAOYSA-N -1 3 384.779 3.884 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1coc2ccccc12 ZINC000736627106 598821480 /nfs/dbraw/zinc/82/14/80/598821480.db2.gz KVUQBQMLPWEZTH-UHFFFAOYSA-N -1 3 384.779 3.884 20 0 GHADHM CCc1cnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000821499065 599294388 /nfs/dbraw/zinc/29/43/88/599294388.db2.gz CMTGYVBBCRMVRC-UHFFFAOYSA-N -1 3 385.497 3.576 20 0 GHADHM CCc1cnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000821499065 599294389 /nfs/dbraw/zinc/29/43/89/599294389.db2.gz CMTGYVBBCRMVRC-UHFFFAOYSA-N -1 3 385.497 3.576 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000736818857 599302674 /nfs/dbraw/zinc/30/26/74/599302674.db2.gz YMOKFUBIRXUXKR-UHFFFAOYSA-N -1 3 384.443 3.883 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000736818857 599302677 /nfs/dbraw/zinc/30/26/77/599302677.db2.gz YMOKFUBIRXUXKR-UHFFFAOYSA-N -1 3 384.443 3.883 20 0 GHADHM CCN(C(=O)CSCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504183 599309355 /nfs/dbraw/zinc/30/93/55/599309355.db2.gz AYIDWLVKOGYNGR-UHFFFAOYSA-N -1 3 387.896 3.806 20 0 GHADHM CCN(C(=O)CSCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504183 599309359 /nfs/dbraw/zinc/30/93/59/599309359.db2.gz AYIDWLVKOGYNGR-UHFFFAOYSA-N -1 3 387.896 3.806 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(-c2ccccc2)ns1 ZINC000738150554 599314770 /nfs/dbraw/zinc/31/47/70/599314770.db2.gz AFPATAHNTSAYGU-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(-c2ccccc2)ns1 ZINC000738150554 599314772 /nfs/dbraw/zinc/31/47/72/599314772.db2.gz AFPATAHNTSAYGU-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Fc1cccc(OCCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000737664839 599326756 /nfs/dbraw/zinc/32/67/56/599326756.db2.gz OXYSVKFJDFWLPF-UHFFFAOYSA-N -1 3 392.394 3.684 20 0 GHADHM c1ccc(N2CCCCCC2)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738419589 599326937 /nfs/dbraw/zinc/32/69/37/599326937.db2.gz RMZRGGHMEVFHHL-UHFFFAOYSA-N -1 3 378.480 3.738 20 0 GHADHM c1ccc(N2CCCCCC2)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738419589 599326938 /nfs/dbraw/zinc/32/69/38/599326938.db2.gz RMZRGGHMEVFHHL-UHFFFAOYSA-N -1 3 378.480 3.738 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000736188008 599327295 /nfs/dbraw/zinc/32/72/95/599327295.db2.gz GKLCIXKCTJIQOL-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000736188008 599327297 /nfs/dbraw/zinc/32/72/97/599327297.db2.gz GKLCIXKCTJIQOL-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737356473 599330764 /nfs/dbraw/zinc/33/07/64/599330764.db2.gz PUJMOBPNJDJIPD-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737356473 599330767 /nfs/dbraw/zinc/33/07/67/599330767.db2.gz PUJMOBPNJDJIPD-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000736637182 599337825 /nfs/dbraw/zinc/33/78/25/599337825.db2.gz PUOYHZJZDODCNP-UHFFFAOYSA-N -1 3 398.442 3.504 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000736637182 599337827 /nfs/dbraw/zinc/33/78/27/599337827.db2.gz PUOYHZJZDODCNP-UHFFFAOYSA-N -1 3 398.442 3.504 20 0 GHADHM C[C@H](Nc1ncnc2sc3c(c21)CCCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820461241 599354740 /nfs/dbraw/zinc/35/47/40/599354740.db2.gz GGZOJJYRWWPYJY-NSHDSACASA-N -1 3 377.477 3.923 20 0 GHADHM C[C@H](Nc1ncnc2sc3c(c21)CCCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820461241 599354743 /nfs/dbraw/zinc/35/47/43/599354743.db2.gz GGZOJJYRWWPYJY-NSHDSACASA-N -1 3 377.477 3.923 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000821732696 607371063 /nfs/dbraw/zinc/37/10/63/607371063.db2.gz SDHGAAWAAWPRPL-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000821732696 607371064 /nfs/dbraw/zinc/37/10/64/607371064.db2.gz SDHGAAWAAWPRPL-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM Cc1cccc(Cl)c1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737396323 599376849 /nfs/dbraw/zinc/37/68/49/599376849.db2.gz HQJINJPQXJMTRZ-UHFFFAOYSA-N -1 3 386.839 3.983 20 0 GHADHM Cc1cccc(Cl)c1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737396323 599376852 /nfs/dbraw/zinc/37/68/52/599376852.db2.gz HQJINJPQXJMTRZ-UHFFFAOYSA-N -1 3 386.839 3.983 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000822137940 599389311 /nfs/dbraw/zinc/38/93/11/599389311.db2.gz YIWPQBLNGIORAN-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736959761 599443705 /nfs/dbraw/zinc/44/37/05/599443705.db2.gz DHSJNRXSLUDNKN-OTYXRUKQSA-N -1 3 379.251 3.757 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736959761 599443708 /nfs/dbraw/zinc/44/37/08/599443708.db2.gz DHSJNRXSLUDNKN-OTYXRUKQSA-N -1 3 379.251 3.757 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821022271 599445956 /nfs/dbraw/zinc/44/59/56/599445956.db2.gz QRSXSWJQQJXMOD-SFHVURJKSA-N -1 3 396.470 3.607 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821022271 599445958 /nfs/dbraw/zinc/44/59/58/599445958.db2.gz QRSXSWJQQJXMOD-SFHVURJKSA-N -1 3 396.470 3.607 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149321 599455754 /nfs/dbraw/zinc/45/57/54/599455754.db2.gz VILRKZLBYZODIX-XLHILCRZSA-N -1 3 387.487 3.680 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149321 599455755 /nfs/dbraw/zinc/45/57/55/599455755.db2.gz VILRKZLBYZODIX-XLHILCRZSA-N -1 3 387.487 3.680 20 0 GHADHM COc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821716651 599465617 /nfs/dbraw/zinc/46/56/17/599465617.db2.gz DOUAHAWKTCEHMA-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821716651 599465619 /nfs/dbraw/zinc/46/56/19/599465619.db2.gz DOUAHAWKTCEHMA-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736055964 599467993 /nfs/dbraw/zinc/46/79/93/599467993.db2.gz KDHGNZSTLZBGLG-BRADTZPFSA-N -1 3 381.867 3.623 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736055964 599467996 /nfs/dbraw/zinc/46/79/96/599467996.db2.gz KDHGNZSTLZBGLG-BRADTZPFSA-N -1 3 381.867 3.623 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737441271 599468650 /nfs/dbraw/zinc/46/86/50/599468650.db2.gz CADJULZASNOFLR-SFHVURJKSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737441271 599468652 /nfs/dbraw/zinc/46/86/52/599468652.db2.gz CADJULZASNOFLR-SFHVURJKSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)cs1 ZINC000737471605 599476261 /nfs/dbraw/zinc/47/62/61/599476261.db2.gz LHZQGWAZARUPMJ-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM Cc1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)cs1 ZINC000737471605 599476263 /nfs/dbraw/zinc/47/62/63/599476263.db2.gz LHZQGWAZARUPMJ-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342445 599477495 /nfs/dbraw/zinc/47/74/95/599477495.db2.gz UVLMKBSEOSFTEU-CXAGYDPISA-N -1 3 396.882 3.780 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342445 599477498 /nfs/dbraw/zinc/47/74/98/599477498.db2.gz UVLMKBSEOSFTEU-CXAGYDPISA-N -1 3 396.882 3.780 20 0 GHADHM Fc1ccc(N[C@@H]2CCOc3ccc(Br)cc32)c(-c2nnn[n-]2)c1 ZINC000822778499 599491556 /nfs/dbraw/zinc/49/15/56/599491556.db2.gz JNCKTMZJQVYYOE-CQSZACIVSA-N -1 3 390.216 3.704 20 0 GHADHM Fc1ccc(N[C@@H]2CCOc3ccc(Br)cc32)c(-c2nn[n-]n2)c1 ZINC000822778499 599491559 /nfs/dbraw/zinc/49/15/59/599491559.db2.gz JNCKTMZJQVYYOE-CQSZACIVSA-N -1 3 390.216 3.704 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737180606 599501559 /nfs/dbraw/zinc/50/15/59/599501559.db2.gz GTOLKDOCKSIWNV-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737180606 599501561 /nfs/dbraw/zinc/50/15/61/599501561.db2.gz GTOLKDOCKSIWNV-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820235962 607381841 /nfs/dbraw/zinc/38/18/41/607381841.db2.gz VQWIYBNIHOJUKH-BDJLRTHQSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820235962 607381843 /nfs/dbraw/zinc/38/18/43/607381843.db2.gz VQWIYBNIHOJUKH-BDJLRTHQSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397822 599516665 /nfs/dbraw/zinc/51/66/65/599516665.db2.gz UYMXHBHPFPGSCV-GFCCVEGCSA-N -1 3 397.529 3.836 20 0 GHADHM C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397822 599516668 /nfs/dbraw/zinc/51/66/68/599516668.db2.gz UYMXHBHPFPGSCV-GFCCVEGCSA-N -1 3 397.529 3.836 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCOc2ccccc21 ZINC000737626013 599524862 /nfs/dbraw/zinc/52/48/62/599524862.db2.gz FWGSFSZCBJPUNK-GFCCVEGCSA-N -1 3 375.354 3.864 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397213 599525935 /nfs/dbraw/zinc/52/59/35/599525935.db2.gz MYFNUPZKAUNKON-INIZCTEOSA-N -1 3 383.455 3.949 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397213 599525938 /nfs/dbraw/zinc/52/59/38/599525938.db2.gz MYFNUPZKAUNKON-INIZCTEOSA-N -1 3 383.455 3.949 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327020 599536258 /nfs/dbraw/zinc/53/62/58/599536258.db2.gz CYTROCLIFRZLFC-OAHLLOKOSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327020 599536263 /nfs/dbraw/zinc/53/62/63/599536263.db2.gz CYTROCLIFRZLFC-OAHLLOKOSA-N -1 3 387.443 3.937 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736395207 599536681 /nfs/dbraw/zinc/53/66/81/599536681.db2.gz HTQWERZMSJTBMV-HNNXBMFYSA-N -1 3 387.900 3.695 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736395207 599536682 /nfs/dbraw/zinc/53/66/82/599536682.db2.gz HTQWERZMSJTBMV-HNNXBMFYSA-N -1 3 387.900 3.695 20 0 GHADHM C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397226 599539731 /nfs/dbraw/zinc/53/97/31/599539731.db2.gz NAONMVUYRZCXSU-JTQLQIEISA-N -1 3 393.394 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397226 599539733 /nfs/dbraw/zinc/53/97/33/599539733.db2.gz NAONMVUYRZCXSU-JTQLQIEISA-N -1 3 393.394 3.970 20 0 GHADHM C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402070 599539825 /nfs/dbraw/zinc/53/98/25/599539825.db2.gz CHYNOKJLIAGCJW-LLVKDONJSA-N -1 3 394.435 3.620 20 0 GHADHM C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402070 599539827 /nfs/dbraw/zinc/53/98/27/599539827.db2.gz CHYNOKJLIAGCJW-LLVKDONJSA-N -1 3 394.435 3.620 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000736637962 599544133 /nfs/dbraw/zinc/54/41/33/599544133.db2.gz VUUMRZKERAFGQC-CQSZACIVSA-N -1 3 379.464 3.960 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000736637962 599544135 /nfs/dbraw/zinc/54/41/35/599544135.db2.gz VUUMRZKERAFGQC-CQSZACIVSA-N -1 3 379.464 3.960 20 0 GHADHM C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820391796 599544626 /nfs/dbraw/zinc/54/46/26/599544626.db2.gz RCPMMYBMTABBBG-ZDUSSCGKSA-N -1 3 384.443 3.783 20 0 GHADHM C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820391796 599544628 /nfs/dbraw/zinc/54/46/28/599544628.db2.gz RCPMMYBMTABBBG-ZDUSSCGKSA-N -1 3 384.443 3.783 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820686719 599548094 /nfs/dbraw/zinc/54/80/94/599548094.db2.gz ZNQUKFJZKKOZAP-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000820741891 599555099 /nfs/dbraw/zinc/55/50/99/599555099.db2.gz GIQUXUSFJIPZEX-GUYCJALGSA-N -1 3 379.468 3.648 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000820741891 599555101 /nfs/dbraw/zinc/55/51/01/599555101.db2.gz GIQUXUSFJIPZEX-GUYCJALGSA-N -1 3 379.468 3.648 20 0 GHADHM C[C@@H](NC(=O)CCOc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820326899 599557028 /nfs/dbraw/zinc/55/70/28/599557028.db2.gz CCRBWDYHHOWUPO-OAHLLOKOSA-N -1 3 387.443 3.666 20 0 GHADHM C[C@@H](NC(=O)CCOc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820326899 599557029 /nfs/dbraw/zinc/55/70/29/599557029.db2.gz CCRBWDYHHOWUPO-OAHLLOKOSA-N -1 3 387.443 3.666 20 0 GHADHM CCCC[C@H](COC)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736439804 599569133 /nfs/dbraw/zinc/56/91/33/599569133.db2.gz ZBRHXXCWTHHLTL-LJQANCHMSA-N -1 3 394.479 3.545 20 0 GHADHM Cc1csc(N(C)C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737451376 599569940 /nfs/dbraw/zinc/56/99/40/599569940.db2.gz BVLVACOPHXFFAG-UHFFFAOYSA-N -1 3 391.460 3.652 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738277351 599575278 /nfs/dbraw/zinc/57/52/78/599575278.db2.gz CAKXCAXNPRNKDL-GUYCJALGSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738277351 599575280 /nfs/dbraw/zinc/57/52/80/599575280.db2.gz CAKXCAXNPRNKDL-GUYCJALGSA-N -1 3 395.850 3.937 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332958 599576056 /nfs/dbraw/zinc/57/60/56/599576056.db2.gz ZBJGRJOITHQZLD-IIBYNOLFSA-N -1 3 390.491 3.587 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000826252664 607384976 /nfs/dbraw/zinc/38/49/76/607384976.db2.gz NGEYADCNDDMZDM-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000826252664 607384978 /nfs/dbraw/zinc/38/49/78/607384978.db2.gz NGEYADCNDDMZDM-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736058677 599606703 /nfs/dbraw/zinc/60/67/03/599606703.db2.gz OCHVJUXQKAUXMQ-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736058677 599606705 /nfs/dbraw/zinc/60/67/05/599606705.db2.gz OCHVJUXQKAUXMQ-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736164241 599607283 /nfs/dbraw/zinc/60/72/83/599607283.db2.gz VVGSSVIJUCJMIA-AWEZNQCLSA-N -1 3 386.415 3.923 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821390551 599620834 /nfs/dbraw/zinc/62/08/34/599620834.db2.gz YREPNEOOEIXKEO-VQHVLOKHSA-N -1 3 399.476 3.638 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821390551 599620835 /nfs/dbraw/zinc/62/08/35/599620835.db2.gz YREPNEOOEIXKEO-VQHVLOKHSA-N -1 3 399.476 3.638 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820939061 599629240 /nfs/dbraw/zinc/62/92/40/599629240.db2.gz PNOHCMCYHRJZFF-YSSFQJQWSA-N -1 3 397.523 3.732 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820939061 599629241 /nfs/dbraw/zinc/62/92/41/599629241.db2.gz PNOHCMCYHRJZFF-YSSFQJQWSA-N -1 3 397.523 3.732 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820938894 599629282 /nfs/dbraw/zinc/62/92/82/599629282.db2.gz OFRNJZQFFNBJDX-UXPWSPDFSA-N -1 3 399.539 3.978 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820938894 599629283 /nfs/dbraw/zinc/62/92/83/599629283.db2.gz OFRNJZQFFNBJDX-UXPWSPDFSA-N -1 3 399.539 3.978 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820939058 599629441 /nfs/dbraw/zinc/62/94/41/599629441.db2.gz PNOHCMCYHRJZFF-BEVDRBHNSA-N -1 3 397.523 3.732 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820939058 599629442 /nfs/dbraw/zinc/62/94/42/599629442.db2.gz PNOHCMCYHRJZFF-BEVDRBHNSA-N -1 3 397.523 3.732 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000822232768 599629797 /nfs/dbraw/zinc/62/97/97/599629797.db2.gz APQIWPGCDJXSRC-MAUKXSAKSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000822232768 599629798 /nfs/dbraw/zinc/62/97/98/599629798.db2.gz APQIWPGCDJXSRC-MAUKXSAKSA-N -1 3 397.866 3.935 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823303485 599630027 /nfs/dbraw/zinc/63/00/27/599630027.db2.gz JXXLUAWFZMUEAV-OXQOHEQNSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823303485 599630028 /nfs/dbraw/zinc/63/00/28/599630028.db2.gz JXXLUAWFZMUEAV-OXQOHEQNSA-N -1 3 379.851 3.753 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000819976576 599630339 /nfs/dbraw/zinc/63/03/39/599630339.db2.gz XTQHCEKOXUGBPD-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000819976576 599630340 /nfs/dbraw/zinc/63/03/40/599630340.db2.gz XTQHCEKOXUGBPD-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM CSc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821988125 599632769 /nfs/dbraw/zinc/63/27/69/599632769.db2.gz CAJBNOFYDZNYII-UHFFFAOYSA-N -1 3 385.396 3.921 20 0 GHADHM CSc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821988125 599632770 /nfs/dbraw/zinc/63/27/70/599632770.db2.gz CAJBNOFYDZNYII-UHFFFAOYSA-N -1 3 385.396 3.921 20 0 GHADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821858925 599633784 /nfs/dbraw/zinc/63/37/84/599633784.db2.gz IPEXXTXRDBHUMB-SNVBAGLBSA-N -1 3 391.353 3.636 20 0 GHADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821858925 599633785 /nfs/dbraw/zinc/63/37/85/599633785.db2.gz IPEXXTXRDBHUMB-SNVBAGLBSA-N -1 3 391.353 3.636 20 0 GHADHM CC(C)(C)[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000819899085 599636448 /nfs/dbraw/zinc/63/64/48/599636448.db2.gz NBORPNBKEPVULK-GOSISDBHSA-N -1 3 389.463 3.794 20 0 GHADHM CCc1ccc(N(CC)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821487045 599636746 /nfs/dbraw/zinc/63/67/46/599636746.db2.gz OQHKNRVCFPDMFK-UHFFFAOYSA-N -1 3 375.436 3.506 20 0 GHADHM CCc1ccc(N(CC)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821487045 599636747 /nfs/dbraw/zinc/63/67/47/599636747.db2.gz OQHKNRVCFPDMFK-UHFFFAOYSA-N -1 3 375.436 3.506 20 0 GHADHM CC(C)CCOc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000820076829 599646714 /nfs/dbraw/zinc/64/67/14/599646714.db2.gz UOEXEWVZXLPVKW-UHFFFAOYSA-N -1 3 377.452 3.551 20 0 GHADHM CC(C)CCOc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000820076829 599646715 /nfs/dbraw/zinc/64/67/15/599646715.db2.gz UOEXEWVZXLPVKW-UHFFFAOYSA-N -1 3 377.452 3.551 20 0 GHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000820488928 599651697 /nfs/dbraw/zinc/65/16/97/599651697.db2.gz WZPVFYHCEIWCFN-WIDZWVOGSA-N -1 3 390.443 3.818 20 0 GHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000820488928 599651698 /nfs/dbraw/zinc/65/16/98/599651698.db2.gz WZPVFYHCEIWCFN-WIDZWVOGSA-N -1 3 390.443 3.818 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(Cl)ccc1Cl ZINC000820549465 599654464 /nfs/dbraw/zinc/65/44/64/599654464.db2.gz MWEFVGVBUUMBAQ-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(Cl)ccc1Cl ZINC000820549465 599654465 /nfs/dbraw/zinc/65/44/65/599654465.db2.gz MWEFVGVBUUMBAQ-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820965901 599655771 /nfs/dbraw/zinc/65/57/71/599655771.db2.gz AKLCGUCGYRLIHL-CRAIPNDOSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820965901 599655772 /nfs/dbraw/zinc/65/57/72/599655772.db2.gz AKLCGUCGYRLIHL-CRAIPNDOSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820967869 599656138 /nfs/dbraw/zinc/65/61/38/599656138.db2.gz XODHULSHZMECIL-QAPCUYQASA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820967869 599656139 /nfs/dbraw/zinc/65/61/39/599656139.db2.gz XODHULSHZMECIL-QAPCUYQASA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820902241 599661430 /nfs/dbraw/zinc/66/14/30/599661430.db2.gz IUBDVOCZJFERFK-AWEZNQCLSA-N -1 3 396.451 3.566 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820902241 599661431 /nfs/dbraw/zinc/66/14/31/599661431.db2.gz IUBDVOCZJFERFK-AWEZNQCLSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358376 599670480 /nfs/dbraw/zinc/67/04/80/599670480.db2.gz MXXJUBKSTBARBT-BZUNDVKYSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358376 599670481 /nfs/dbraw/zinc/67/04/81/599670481.db2.gz MXXJUBKSTBARBT-BZUNDVKYSA-N -1 3 396.417 3.596 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823144929 599678219 /nfs/dbraw/zinc/67/82/19/599678219.db2.gz NAFQVTYWTSZJSM-RYQLBKOJSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823144929 599678220 /nfs/dbraw/zinc/67/82/20/599678220.db2.gz NAFQVTYWTSZJSM-RYQLBKOJSA-N -1 3 380.496 3.510 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820875838 599678360 /nfs/dbraw/zinc/67/83/60/599678360.db2.gz GXPLQRDKNBHLRN-CQSZACIVSA-N -1 3 382.443 3.516 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820875838 599678361 /nfs/dbraw/zinc/67/83/61/599678361.db2.gz GXPLQRDKNBHLRN-CQSZACIVSA-N -1 3 382.443 3.516 20 0 GHADHM CC(C)CCN(CCC(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820076365 599678543 /nfs/dbraw/zinc/67/85/43/599678543.db2.gz IRHSGINVWHLDGN-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM CC(C)CCN(CCC(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820076365 599678544 /nfs/dbraw/zinc/67/85/44/599678544.db2.gz IRHSGINVWHLDGN-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccncc1Cl ZINC000823386994 599690339 /nfs/dbraw/zinc/69/03/39/599690339.db2.gz ASAOIEYZHSTQSA-UHFFFAOYSA-N -1 3 388.884 3.888 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccncc1Cl ZINC000823386994 599690340 /nfs/dbraw/zinc/69/03/40/599690340.db2.gz ASAOIEYZHSTQSA-UHFFFAOYSA-N -1 3 388.884 3.888 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736722755 599717616 /nfs/dbraw/zinc/71/76/16/599717616.db2.gz DOGHLOVCTADQEP-CZUORRHYSA-N -1 3 386.427 3.873 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCO3)c2-c2nnn[n-]2)C1 ZINC000819907743 607391298 /nfs/dbraw/zinc/39/12/98/607391298.db2.gz RAXFOQKMMZZXBG-WCQYABFASA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCO3)c2-c2nn[n-]n2)C1 ZINC000819907743 607391300 /nfs/dbraw/zinc/39/13/00/607391300.db2.gz RAXFOQKMMZZXBG-WCQYABFASA-N -1 3 389.525 3.587 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000822220409 607393568 /nfs/dbraw/zinc/39/35/68/607393568.db2.gz QHJMIYMXZGCTDN-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000822220409 607393570 /nfs/dbraw/zinc/39/35/70/607393570.db2.gz QHJMIYMXZGCTDN-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820161376 607400095 /nfs/dbraw/zinc/40/00/95/607400095.db2.gz XDVLFGBFFVSCKZ-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820161376 607400097 /nfs/dbraw/zinc/40/00/97/607400097.db2.gz XDVLFGBFFVSCKZ-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM O=C([O-])CSCc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000739871851 599952116 /nfs/dbraw/zinc/95/21/16/599952116.db2.gz NPQBOYFHIGXPSH-UHFFFAOYSA-N -1 3 384.501 3.853 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1-c1nnn[n-]1 ZINC000820165958 607426255 /nfs/dbraw/zinc/42/62/55/607426255.db2.gz SVYRZMSOOLUXGL-UHFFFAOYSA-N -1 3 398.492 3.912 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1-c1nn[n-]n1 ZINC000820165958 607426256 /nfs/dbraw/zinc/42/62/56/607426256.db2.gz SVYRZMSOOLUXGL-UHFFFAOYSA-N -1 3 398.492 3.912 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821455809 607428586 /nfs/dbraw/zinc/42/85/86/607428586.db2.gz LVIWBOMUTKEOAJ-ZDUSSCGKSA-N -1 3 392.529 3.649 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821455809 607428587 /nfs/dbraw/zinc/42/85/87/607428587.db2.gz LVIWBOMUTKEOAJ-ZDUSSCGKSA-N -1 3 392.529 3.649 20 0 GHADHM CCN(CCc1ccccc1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821214784 607430195 /nfs/dbraw/zinc/43/01/95/607430195.db2.gz LIKOBLKMVBUJQN-UHFFFAOYSA-N -1 3 394.479 3.750 20 0 GHADHM CCN(CCc1ccccc1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821214784 607430196 /nfs/dbraw/zinc/43/01/96/607430196.db2.gz LIKOBLKMVBUJQN-UHFFFAOYSA-N -1 3 394.479 3.750 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824731499 607433021 /nfs/dbraw/zinc/43/30/21/607433021.db2.gz WGTWJDWQRJWOFR-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824731499 607433022 /nfs/dbraw/zinc/43/30/22/607433022.db2.gz WGTWJDWQRJWOFR-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM Cc1cccc(C2(NCC(=O)NCc3ccc(NC(=O)[O-])cc3)CCCC2)c1 ZINC000738686980 600284967 /nfs/dbraw/zinc/28/49/67/600284967.db2.gz ABAGDHSXAVFISC-UHFFFAOYSA-N -1 3 381.476 3.760 20 0 GHADHM O=C([O-])[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(Br)cc1 ZINC000426795196 600299904 /nfs/dbraw/zinc/29/99/04/600299904.db2.gz WERGVHRZNXAGTN-MRXNPFEDSA-N -1 3 387.233 3.618 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826092 607436817 /nfs/dbraw/zinc/43/68/17/607436817.db2.gz WBBKWYBMVZOKMQ-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826092 607436819 /nfs/dbraw/zinc/43/68/19/607436819.db2.gz WBBKWYBMVZOKMQ-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812811 607441879 /nfs/dbraw/zinc/44/18/79/607441879.db2.gz UYKHUEDLPPVDEQ-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812811 607441880 /nfs/dbraw/zinc/44/18/80/607441880.db2.gz UYKHUEDLPPVDEQ-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM COc1cccc(OC)c1Oc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000738109891 600425794 /nfs/dbraw/zinc/42/57/94/600425794.db2.gz WAINWBMADHJYFW-HXUWFJFHSA-N -1 3 394.427 3.807 20 0 GHADHM CCC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000825242284 607446653 /nfs/dbraw/zinc/44/66/53/607446653.db2.gz NGFCFZZPJURXTI-GOSISDBHSA-N -1 3 376.464 3.696 20 0 GHADHM CCC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000825242284 607446654 /nfs/dbraw/zinc/44/66/54/607446654.db2.gz NGFCFZZPJURXTI-GOSISDBHSA-N -1 3 376.464 3.696 20 0 GHADHM COc1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000737958059 600501079 /nfs/dbraw/zinc/50/10/79/600501079.db2.gz WKCHARYBTGZYGB-FQEVSTJZSA-N -1 3 397.475 3.660 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000737470987 600566208 /nfs/dbraw/zinc/56/62/08/600566208.db2.gz UTROJLDQJYMWMZ-NRFANRHFSA-N -1 3 395.503 3.753 20 0 GHADHM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc2c(c1)CCCC2 ZINC000827727332 600691019 /nfs/dbraw/zinc/69/10/19/600691019.db2.gz IMQASZPARSPNRQ-UGSOOPFHSA-N -1 3 384.501 3.781 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736815860 600744687 /nfs/dbraw/zinc/74/46/87/600744687.db2.gz YPGLSWBPDIQKHS-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM COc1cccc(N2CC[C@@H](N[C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)c1 ZINC000832563079 600746838 /nfs/dbraw/zinc/74/68/38/600746838.db2.gz VDQSJPDYCJWJPQ-ACJLOTCBSA-N -1 3 395.286 3.996 20 0 GHADHM O=C([O-])[C@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1F ZINC000833168571 600751221 /nfs/dbraw/zinc/75/12/21/600751221.db2.gz YNJYUXWKFDGAFK-YVEFUNNKSA-N -1 3 398.356 3.719 20 0 GHADHM CC[C@@H](C)[C@@H](C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825051860 607467479 /nfs/dbraw/zinc/46/74/79/607467479.db2.gz TVVLLDFCOMOFNK-FZKQIMNGSA-N -1 3 387.447 3.578 20 0 GHADHM CC[C@@H](C)[C@@H](C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825051860 607467481 /nfs/dbraw/zinc/46/74/81/607467481.db2.gz TVVLLDFCOMOFNK-FZKQIMNGSA-N -1 3 387.447 3.578 20 0 GHADHM COc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1SC(F)(F)F ZINC000832314264 600830718 /nfs/dbraw/zinc/83/07/18/600830718.db2.gz GOGQCZNSTYIEHQ-GFCCVEGCSA-N -1 3 375.412 3.994 20 0 GHADHM Fc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826375049 607471809 /nfs/dbraw/zinc/47/18/09/607471809.db2.gz XJIRNJPGKKJQOD-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826375049 607471811 /nfs/dbraw/zinc/47/18/11/607471811.db2.gz XJIRNJPGKKJQOD-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832931460 601024433 /nfs/dbraw/zinc/02/44/33/601024433.db2.gz YEMZCXROCKWQRL-RTWAWAEBSA-N -1 3 395.503 3.969 20 0 GHADHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(C(F)(F)F)cs1 ZINC000820925970 607485354 /nfs/dbraw/zinc/48/53/54/607485354.db2.gz NUWMANGHTMICFK-LLVKDONJSA-N -1 3 386.378 3.722 20 0 GHADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(C(F)(F)F)cs1 ZINC000820925970 607485356 /nfs/dbraw/zinc/48/53/56/607485356.db2.gz NUWMANGHTMICFK-LLVKDONJSA-N -1 3 386.378 3.722 20 0 GHADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830604770 601092502 /nfs/dbraw/zinc/09/25/02/601092502.db2.gz UZJKPFJGEDTKRM-UHFFFAOYSA-N -1 3 397.519 3.687 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294571 607497868 /nfs/dbraw/zinc/49/78/68/607497868.db2.gz UXKZIPBISRBCGW-GJZGRUSLSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294571 607497871 /nfs/dbraw/zinc/49/78/71/607497871.db2.gz UXKZIPBISRBCGW-GJZGRUSLSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828087561 601329649 /nfs/dbraw/zinc/32/96/49/601329649.db2.gz BRIDYEYLXZBENB-HSZRJFAPSA-N -1 3 395.503 3.738 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)COC1(C)CCC1 ZINC000822211489 607500914 /nfs/dbraw/zinc/50/09/14/607500914.db2.gz AVGDUTSLHVKPCJ-UHFFFAOYSA-N -1 3 393.447 3.865 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)COC1(C)CCC1 ZINC000822211489 607500917 /nfs/dbraw/zinc/50/09/17/607500917.db2.gz AVGDUTSLHVKPCJ-UHFFFAOYSA-N -1 3 393.447 3.865 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000826025820 601394892 /nfs/dbraw/zinc/39/48/92/601394892.db2.gz GEIQZFJGLIPJNJ-SCWSEQNSSA-N -1 3 398.478 3.616 20 0 GHADHM O=C([O-])c1nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c2ccccc21 ZINC000833346046 601397703 /nfs/dbraw/zinc/39/77/03/601397703.db2.gz CZBNZGDKVLCSFW-CQSZACIVSA-N -1 3 376.416 3.713 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000832914447 601511765 /nfs/dbraw/zinc/51/17/65/601511765.db2.gz FHTGTVUCBRKPLG-YYQBIWNASA-N -1 3 382.460 3.563 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1ccccc1 ZINC000826044804 601655336 /nfs/dbraw/zinc/65/53/36/601655336.db2.gz LQQRFUWKTIEZML-VGSWGCGISA-N -1 3 392.455 3.864 20 0 GHADHM C[C@@H](CCC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824400126 607530291 /nfs/dbraw/zinc/53/02/91/607530291.db2.gz ALIRTJXATIDMGT-INIZCTEOSA-N -1 3 395.532 3.800 20 0 GHADHM C[C@@H](CCC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824400126 607530293 /nfs/dbraw/zinc/53/02/93/607530293.db2.gz ALIRTJXATIDMGT-INIZCTEOSA-N -1 3 395.532 3.800 20 0 GHADHM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000263050965 601916090 /nfs/dbraw/zinc/91/60/90/601916090.db2.gz FLTYMNAAVSUFQC-INIZCTEOSA-N -1 3 381.295 3.869 20 0 GHADHM COc1ccc(CSCc2cn3cc(Cl)ccc3n2)cc1-c1nnn[n-]1 ZINC000826207720 607535981 /nfs/dbraw/zinc/53/59/81/607535981.db2.gz AEIGEGROCIUNCM-UHFFFAOYSA-N -1 3 386.868 3.610 20 0 GHADHM COc1ccc(CSCc2cn3cc(Cl)ccc3n2)cc1-c1nn[n-]n1 ZINC000826207720 607535983 /nfs/dbraw/zinc/53/59/83/607535983.db2.gz AEIGEGROCIUNCM-UHFFFAOYSA-N -1 3 386.868 3.610 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000740705718 602026612 /nfs/dbraw/zinc/02/66/12/602026612.db2.gz UEIFEKABGRFYGV-AWEZNQCLSA-N -1 3 389.402 3.905 20 0 GHADHM Fc1ccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2Cl)cc1 ZINC000826373691 607549684 /nfs/dbraw/zinc/54/96/84/607549684.db2.gz WHOFMXRPXLKLMO-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc([C@H](NCc2ccnc(-c3nn[n-]n3)c2)c2ccccc2Cl)cc1 ZINC000826373691 607549686 /nfs/dbraw/zinc/54/96/86/607549686.db2.gz WHOFMXRPXLKLMO-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC[C@@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000833321067 602249187 /nfs/dbraw/zinc/24/91/87/602249187.db2.gz GXJDNXFBSGXYRU-ZBFHGGJFSA-N -1 3 379.840 3.598 20 0 GHADHM CN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380742399 602365057 /nfs/dbraw/zinc/36/50/57/602365057.db2.gz MINDWTCQUAGPLZ-INIZCTEOSA-N -1 3 387.867 3.776 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830604731 602371379 /nfs/dbraw/zinc/37/13/79/602371379.db2.gz UHTQUVPHHXHNJF-UHFFFAOYSA-N -1 3 387.455 3.552 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739613105 602599989 /nfs/dbraw/zinc/59/99/89/602599989.db2.gz NJKRWWCBURCTGI-UHFFFAOYSA-N -1 3 392.406 3.650 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739188821 603259674 /nfs/dbraw/zinc/25/96/74/603259674.db2.gz KEMFLNRPXHXBSF-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM CN(Cc1ccccc1NC(=O)N1CCN(CC2CCCCC2)CC1)C(=O)[O-] ZINC000739715577 603343395 /nfs/dbraw/zinc/34/33/95/603343395.db2.gz SIANVVFHCWECRN-UHFFFAOYSA-N -1 3 388.512 3.526 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000826246612 607653128 /nfs/dbraw/zinc/65/31/28/607653128.db2.gz HOPFQVAWRQWUBN-GOSISDBHSA-N -1 3 393.447 3.895 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000826246612 607653130 /nfs/dbraw/zinc/65/31/30/607653130.db2.gz HOPFQVAWRQWUBN-GOSISDBHSA-N -1 3 393.447 3.895 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825776924 607651364 /nfs/dbraw/zinc/65/13/64/607651364.db2.gz NOOXCZRKZOODIZ-UHFFFAOYSA-N -1 3 375.432 3.756 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825776924 607651366 /nfs/dbraw/zinc/65/13/66/607651366.db2.gz NOOXCZRKZOODIZ-UHFFFAOYSA-N -1 3 375.432 3.756 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059737 607664624 /nfs/dbraw/zinc/66/46/24/607664624.db2.gz JNJBQPWXTDNGDL-KPZWWZAWSA-N -1 3 389.463 3.569 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059737 607664625 /nfs/dbraw/zinc/66/46/25/607664625.db2.gz JNJBQPWXTDNGDL-KPZWWZAWSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)sc1Cc1ccccc1 ZINC000826250469 607667705 /nfs/dbraw/zinc/66/77/05/607667705.db2.gz CHVZWACCJMOHAD-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)sc1Cc1ccccc1 ZINC000826250469 607667707 /nfs/dbraw/zinc/66/77/07/607667707.db2.gz CHVZWACCJMOHAD-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826316671 607675804 /nfs/dbraw/zinc/67/58/04/607675804.db2.gz VCPXCHRPIBNCSB-SJORKVTESA-N -1 3 381.505 3.777 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826316671 607675806 /nfs/dbraw/zinc/67/58/06/607675806.db2.gz VCPXCHRPIBNCSB-SJORKVTESA-N -1 3 381.505 3.777 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000826244125 607677536 /nfs/dbraw/zinc/67/75/36/607677536.db2.gz HURSNIROOHWCIQ-UHFFFAOYSA-N -1 3 377.423 3.786 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000826244125 607677538 /nfs/dbraw/zinc/67/75/38/607677538.db2.gz HURSNIROOHWCIQ-UHFFFAOYSA-N -1 3 377.423 3.786 20 0 GHADHM COc1cccc([C@H](O)CN(Cc2ccoc2C(=O)[O-])Cc2ccccc2)c1 ZINC000832532874 604360983 /nfs/dbraw/zinc/36/09/83/604360983.db2.gz GWDALBGKYKUWMJ-HXUWFJFHSA-N -1 3 381.428 3.722 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cccc(Br)c2)c1 ZINC000832041748 604461389 /nfs/dbraw/zinc/46/13/89/604461389.db2.gz ZYBWNTUUGGMMHO-KRWDZBQOSA-N -1 3 394.265 3.724 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826233891 607693862 /nfs/dbraw/zinc/69/38/62/607693862.db2.gz YZNRCCUYBYUYHV-UHFFFAOYSA-N -1 3 380.839 3.582 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826233891 607693863 /nfs/dbraw/zinc/69/38/63/607693863.db2.gz YZNRCCUYBYUYHV-UHFFFAOYSA-N -1 3 380.839 3.582 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000826246406 607700568 /nfs/dbraw/zinc/70/05/68/607700568.db2.gz CQACNLSTTIXQBG-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000826246406 607700570 /nfs/dbraw/zinc/70/05/70/607700570.db2.gz CQACNLSTTIXQBG-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825075186 607705032 /nfs/dbraw/zinc/70/50/32/607705032.db2.gz NAWOXZSGHXHFAC-AWEZNQCLSA-N -1 3 381.436 3.721 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825075186 607705033 /nfs/dbraw/zinc/70/50/33/607705033.db2.gz NAWOXZSGHXHFAC-AWEZNQCLSA-N -1 3 381.436 3.721 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000826245411 607710413 /nfs/dbraw/zinc/71/04/13/607710413.db2.gz XDICDSHEOUEFMW-LJQANCHMSA-N -1 3 375.476 3.803 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000826245411 607710415 /nfs/dbraw/zinc/71/04/15/607710415.db2.gz XDICDSHEOUEFMW-LJQANCHMSA-N -1 3 375.476 3.803 20 0 GHADHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000833770956 604760110 /nfs/dbraw/zinc/76/01/10/604760110.db2.gz RUEVXEGXRZREIH-KRWDZBQOSA-N -1 3 383.366 3.623 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833546928 604943604 /nfs/dbraw/zinc/94/36/04/604943604.db2.gz MVMCGXVVLPSJGR-NVXWUHKLSA-N -1 3 386.492 3.775 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410469 604945430 /nfs/dbraw/zinc/94/54/30/604945430.db2.gz XYTMHYLRDMGTPY-QWHCGFSZSA-N -1 3 397.313 3.599 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824801310 607726484 /nfs/dbraw/zinc/72/64/84/607726484.db2.gz DAWWVXCIDIGTIO-OAHLLOKOSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824801310 607726486 /nfs/dbraw/zinc/72/64/86/607726486.db2.gz DAWWVXCIDIGTIO-OAHLLOKOSA-N -1 3 396.451 3.566 20 0 GHADHM O=C([O-])[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 ZINC000833170101 604990379 /nfs/dbraw/zinc/99/03/79/604990379.db2.gz PBWMKHBTYZFLPY-QHCPKHFHSA-N -1 3 398.466 3.909 20 0 GHADHM CC(=O)N1CCCCC[C@@H]1C1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000833394392 605041468 /nfs/dbraw/zinc/04/14/68/605041468.db2.gz XDGZMXHXRFDFNC-CRAIPNDOSA-N -1 3 376.497 3.850 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824394298 607732760 /nfs/dbraw/zinc/73/27/60/607732760.db2.gz XCLRYCZZKNISDU-TVQRCGJNSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824394298 607732761 /nfs/dbraw/zinc/73/27/61/607732761.db2.gz XCLRYCZZKNISDU-TVQRCGJNSA-N -1 3 383.399 3.871 20 0 GHADHM O[C@@H](c1ccccc1)C1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000826505480 607735454 /nfs/dbraw/zinc/73/54/54/607735454.db2.gz WLQFLSRMBZRDDU-INIZCTEOSA-N -1 3 389.381 3.811 20 0 GHADHM O[C@@H](c1ccccc1)C1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826505480 607735455 /nfs/dbraw/zinc/73/54/55/607735455.db2.gz WLQFLSRMBZRDDU-INIZCTEOSA-N -1 3 389.381 3.811 20 0 GHADHM C[C@H](Oc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)[O-] ZINC000833537772 605271883 /nfs/dbraw/zinc/27/18/83/605271883.db2.gz ALEBCHWWKJMDRV-ZDUSSCGKSA-N -1 3 391.851 3.643 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833550306 605281904 /nfs/dbraw/zinc/28/19/04/605281904.db2.gz WDSDJLDWMWNMSW-CJNGLKHVSA-N -1 3 386.427 3.873 20 0 GHADHM CC(C)C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824230104 607758457 /nfs/dbraw/zinc/75/84/57/607758457.db2.gz ZUHZEBXZCJJIKL-ZDUSSCGKSA-N -1 3 381.440 3.610 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(F)c2)cc1-c1nnn[n-]1 ZINC000825540466 607765548 /nfs/dbraw/zinc/76/55/48/607765548.db2.gz YIHJRQHJYWGAOY-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(F)c2)cc1-c1nn[n-]n1 ZINC000825540466 607765549 /nfs/dbraw/zinc/76/55/49/607765549.db2.gz YIHJRQHJYWGAOY-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(F)cc1F ZINC000826261222 607770648 /nfs/dbraw/zinc/77/06/48/607770648.db2.gz WHABDXKXAHPRJE-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(F)cc1F ZINC000826261222 607770649 /nfs/dbraw/zinc/77/06/49/607770649.db2.gz WHABDXKXAHPRJE-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM COc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)ccc1C ZINC000826177348 607768630 /nfs/dbraw/zinc/76/86/30/607768630.db2.gz FGCNYTPAOHSNOG-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)ccc1C ZINC000826177348 607768631 /nfs/dbraw/zinc/76/86/31/607768631.db2.gz FGCNYTPAOHSNOG-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc2ncccc2c1 ZINC000826459584 607769837 /nfs/dbraw/zinc/76/98/37/607769837.db2.gz PUALKOCRKUGLMA-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc2ncccc2c1 ZINC000826459584 607769838 /nfs/dbraw/zinc/76/98/38/607769838.db2.gz PUALKOCRKUGLMA-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825153770 607770152 /nfs/dbraw/zinc/77/01/52/607770152.db2.gz JOBVDCPLISYWLS-INIZCTEOSA-N -1 3 398.492 3.667 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825153770 607770153 /nfs/dbraw/zinc/77/01/53/607770153.db2.gz JOBVDCPLISYWLS-INIZCTEOSA-N -1 3 398.492 3.667 20 0 GHADHM CCCCCCOCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825271697 607770277 /nfs/dbraw/zinc/77/02/77/607770277.db2.gz MEZCPCQPLXKVDN-UHFFFAOYSA-N -1 3 386.481 3.526 20 0 GHADHM CCCCCCOCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825271697 607770278 /nfs/dbraw/zinc/77/02/78/607770278.db2.gz MEZCPCQPLXKVDN-UHFFFAOYSA-N -1 3 386.481 3.526 20 0 GHADHM C[C@H](CCNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820243177 606028967 /nfs/dbraw/zinc/02/89/67/606028967.db2.gz XEJHAKNWZBCLMQ-GFCCVEGCSA-N -1 3 389.381 3.809 20 0 GHADHM C[C@H](CCNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820243177 606028968 /nfs/dbraw/zinc/02/89/68/606028968.db2.gz XEJHAKNWZBCLMQ-GFCCVEGCSA-N -1 3 389.381 3.809 20 0 GHADHM c1ccc(COC2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000823786651 606031281 /nfs/dbraw/zinc/03/12/81/606031281.db2.gz ADODDMFSACVAFF-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM c1ccc(COC2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823786651 606031285 /nfs/dbraw/zinc/03/12/85/606031285.db2.gz ADODDMFSACVAFF-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM COc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OCCC(C)C ZINC000821708413 606049900 /nfs/dbraw/zinc/04/99/00/606049900.db2.gz PJKODYXDHXPFFT-AWEZNQCLSA-N -1 3 382.468 3.868 20 0 GHADHM COc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OCCC(C)C ZINC000821708413 606049907 /nfs/dbraw/zinc/04/99/07/606049907.db2.gz PJKODYXDHXPFFT-AWEZNQCLSA-N -1 3 382.468 3.868 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000819867459 606102393 /nfs/dbraw/zinc/10/23/93/606102393.db2.gz SDUWGFKPBGVDSI-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000819867459 606102394 /nfs/dbraw/zinc/10/23/94/606102394.db2.gz SDUWGFKPBGVDSI-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000471941175 606102804 /nfs/dbraw/zinc/10/28/04/606102804.db2.gz FGFYQHQTKSMKRL-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000471941175 606102805 /nfs/dbraw/zinc/10/28/05/606102805.db2.gz FGFYQHQTKSMKRL-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM Cc1sc(NC(=O)CN(c2ccc(F)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822556280 606109575 /nfs/dbraw/zinc/10/95/75/606109575.db2.gz BBRIKQNODZQGPZ-UHFFFAOYSA-N -1 3 388.472 3.538 20 0 GHADHM Cc1sc(NC(=O)CN(c2ccc(F)cc2)C(C)C)c(-c2nn[n-]n2)c1C ZINC000822556280 606109576 /nfs/dbraw/zinc/10/95/76/606109576.db2.gz BBRIKQNODZQGPZ-UHFFFAOYSA-N -1 3 388.472 3.538 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822230586 606116297 /nfs/dbraw/zinc/11/62/97/606116297.db2.gz KPUPJIGLNKIMEJ-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822230586 606116298 /nfs/dbraw/zinc/11/62/98/606116298.db2.gz KPUPJIGLNKIMEJ-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340711 606116922 /nfs/dbraw/zinc/11/69/22/606116922.db2.gz MYJQBRNYAGOLPS-TXPKVOOTSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340711 606116923 /nfs/dbraw/zinc/11/69/23/606116923.db2.gz MYJQBRNYAGOLPS-TXPKVOOTSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341776 606117059 /nfs/dbraw/zinc/11/70/59/606117059.db2.gz RKGDZPZMYIZJGQ-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341776 606117061 /nfs/dbraw/zinc/11/70/61/606117061.db2.gz RKGDZPZMYIZJGQ-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820938885 606125888 /nfs/dbraw/zinc/12/58/88/606125888.db2.gz ODVJXJDAFUOHQV-QGZVFWFLSA-N -1 3 395.463 3.758 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820938885 606125891 /nfs/dbraw/zinc/12/58/91/606125891.db2.gz ODVJXJDAFUOHQV-QGZVFWFLSA-N -1 3 395.463 3.758 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820328694 606149482 /nfs/dbraw/zinc/14/94/82/606149482.db2.gz QWXFWXYBLHYYSL-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820328694 606149484 /nfs/dbraw/zinc/14/94/84/606149484.db2.gz QWXFWXYBLHYYSL-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)[C@H](C)c1ccccc1 ZINC000820340956 606162403 /nfs/dbraw/zinc/16/24/03/606162403.db2.gz OAGCTKCWWUCJDY-JKSUJKDBSA-N -1 3 390.491 3.733 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)[C@H](C)c1ccccc1 ZINC000820340956 606162404 /nfs/dbraw/zinc/16/24/04/606162404.db2.gz OAGCTKCWWUCJDY-JKSUJKDBSA-N -1 3 390.491 3.733 20 0 GHADHM C[C@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820716630 606167205 /nfs/dbraw/zinc/16/72/05/606167205.db2.gz KANMUWVDPRCEIZ-SJCJKPOMSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820716630 606167206 /nfs/dbraw/zinc/16/72/06/606167206.db2.gz KANMUWVDPRCEIZ-SJCJKPOMSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643255 606167585 /nfs/dbraw/zinc/16/75/85/606167585.db2.gz SNPIDGCIEGCBKO-HOCLYGCPSA-N -1 3 378.505 3.517 20 0 GHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643255 606167587 /nfs/dbraw/zinc/16/75/87/606167587.db2.gz SNPIDGCIEGCBKO-HOCLYGCPSA-N -1 3 378.505 3.517 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000822728320 606175060 /nfs/dbraw/zinc/17/50/60/606175060.db2.gz GRJLJUNUAJYNDB-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000822728320 606175062 /nfs/dbraw/zinc/17/50/62/606175062.db2.gz GRJLJUNUAJYNDB-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CCN(Cc1ccncc1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821230300 606182951 /nfs/dbraw/zinc/18/29/51/606182951.db2.gz FXRXYGLZBVTAMK-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM CCN(Cc1ccncc1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821230300 606182953 /nfs/dbraw/zinc/18/29/53/606182953.db2.gz FXRXYGLZBVTAMK-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000822940792 606206940 /nfs/dbraw/zinc/20/69/40/606206940.db2.gz FAECCHODPFACBM-LJQANCHMSA-N -1 3 389.459 3.525 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000822940792 606206942 /nfs/dbraw/zinc/20/69/42/606206942.db2.gz FAECCHODPFACBM-LJQANCHMSA-N -1 3 389.459 3.525 20 0 GHADHM COc1cccc(C(C)=CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821859754 606235564 /nfs/dbraw/zinc/23/55/64/606235564.db2.gz SBXKBIZDVFKNMS-GXDHUFHOSA-N -1 3 393.447 3.705 20 0 GHADHM COc1cccc(C(C)=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821859754 606235566 /nfs/dbraw/zinc/23/55/66/606235566.db2.gz SBXKBIZDVFKNMS-GXDHUFHOSA-N -1 3 393.447 3.705 20 0 GHADHM O=C1c2ccccc2N[C@H](c2cc(-c3nnn[n-]3)cs2)N1Cc1ccccc1 ZINC000823551554 606244098 /nfs/dbraw/zinc/24/40/98/606244098.db2.gz VKHYEMYQUVUWMP-IBGZPJMESA-N -1 3 388.456 3.695 20 0 GHADHM O=C1c2ccccc2N[C@H](c2cc(-c3nn[n-]n3)cs2)N1Cc1ccccc1 ZINC000823551554 606244099 /nfs/dbraw/zinc/24/40/99/606244099.db2.gz VKHYEMYQUVUWMP-IBGZPJMESA-N -1 3 388.456 3.695 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820711480 606244747 /nfs/dbraw/zinc/24/47/47/606244747.db2.gz ZVYJDXDGUSDIKO-AWEZNQCLSA-N -1 3 379.489 3.890 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820711480 606244749 /nfs/dbraw/zinc/24/47/49/606244749.db2.gz ZVYJDXDGUSDIKO-AWEZNQCLSA-N -1 3 379.489 3.890 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820555406 606258625 /nfs/dbraw/zinc/25/86/25/606258625.db2.gz LADXJOAGCZRMFU-OAHLLOKOSA-N -1 3 386.459 3.705 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820555406 606258626 /nfs/dbraw/zinc/25/86/26/606258626.db2.gz LADXJOAGCZRMFU-OAHLLOKOSA-N -1 3 386.459 3.705 20 0 GHADHM O=C(CC[C@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822950533 606259658 /nfs/dbraw/zinc/25/96/58/606259658.db2.gz RRHQFZMYXLYESJ-ZDUSSCGKSA-N -1 3 397.410 3.553 20 0 GHADHM O=C(CC[C@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822950533 606259660 /nfs/dbraw/zinc/25/96/60/606259660.db2.gz RRHQFZMYXLYESJ-ZDUSSCGKSA-N -1 3 397.410 3.553 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823032456 606263845 /nfs/dbraw/zinc/26/38/45/606263845.db2.gz VDWBRUQERSNYDJ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823032456 606263846 /nfs/dbraw/zinc/26/38/46/606263846.db2.gz VDWBRUQERSNYDJ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000819864972 606266482 /nfs/dbraw/zinc/26/64/82/606266482.db2.gz ATQUKMSNTLDNPA-SSDOTTSWSA-N -1 3 396.245 3.572 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000819864972 606266483 /nfs/dbraw/zinc/26/64/83/606266483.db2.gz ATQUKMSNTLDNPA-SSDOTTSWSA-N -1 3 396.245 3.572 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821962828 606276986 /nfs/dbraw/zinc/27/69/86/606276986.db2.gz XHEOIZCUFGYDAO-ZDUSSCGKSA-N -1 3 399.545 3.889 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821962828 606276988 /nfs/dbraw/zinc/27/69/88/606276988.db2.gz XHEOIZCUFGYDAO-ZDUSSCGKSA-N -1 3 399.545 3.889 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820643541 606279856 /nfs/dbraw/zinc/27/98/56/606279856.db2.gz WXUALEWNRGQVPM-HNAYVOBHSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820643541 606279857 /nfs/dbraw/zinc/27/98/57/606279857.db2.gz WXUALEWNRGQVPM-HNAYVOBHSA-N -1 3 393.516 3.505 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ncsc2c1 ZINC000821123719 606280203 /nfs/dbraw/zinc/28/02/03/606280203.db2.gz WGLAIUBEMYWEGE-UHFFFAOYSA-N -1 3 379.449 3.551 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823472241 606282336 /nfs/dbraw/zinc/28/23/36/606282336.db2.gz FHCRUMANZDFATO-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823472241 606282337 /nfs/dbraw/zinc/28/23/37/606282337.db2.gz FHCRUMANZDFATO-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640328 606298283 /nfs/dbraw/zinc/29/82/83/606298283.db2.gz GGVLWZTVFLQSPQ-VLIAUNLRSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640328 606298284 /nfs/dbraw/zinc/29/82/84/606298284.db2.gz GGVLWZTVFLQSPQ-VLIAUNLRSA-N -1 3 387.443 3.585 20 0 GHADHM O=C1[C@@H](S[C@H]2CCCc3ccccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511968 606311253 /nfs/dbraw/zinc/31/12/53/606311253.db2.gz JSPIHRYSQFHECW-HOTGVXAUSA-N -1 3 397.529 3.844 20 0 GHADHM O=C1[C@@H](S[C@H]2CCCc3ccccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511968 606311254 /nfs/dbraw/zinc/31/12/54/606311254.db2.gz JSPIHRYSQFHECW-HOTGVXAUSA-N -1 3 397.529 3.844 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1Cl ZINC000823070537 606326420 /nfs/dbraw/zinc/32/64/20/606326420.db2.gz DDEGOZMSDWISMT-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1Cl ZINC000823070537 606326422 /nfs/dbraw/zinc/32/64/22/606326422.db2.gz DDEGOZMSDWISMT-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938202 606335441 /nfs/dbraw/zinc/33/54/41/606335441.db2.gz HJRJUUZXICDUBC-RDTXWAMCSA-N -1 3 397.454 3.773 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938202 606335443 /nfs/dbraw/zinc/33/54/43/606335443.db2.gz HJRJUUZXICDUBC-RDTXWAMCSA-N -1 3 397.454 3.773 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938197 606335570 /nfs/dbraw/zinc/33/55/70/606335570.db2.gz HJRJUUZXICDUBC-KDOFPFPSSA-N -1 3 397.454 3.773 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938197 606335572 /nfs/dbraw/zinc/33/55/72/606335572.db2.gz HJRJUUZXICDUBC-KDOFPFPSSA-N -1 3 397.454 3.773 20 0 GHADHM CCn1cc(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000821565537 606341940 /nfs/dbraw/zinc/34/19/40/606341940.db2.gz XRKVSBJUMHJOGY-CQSZACIVSA-N -1 3 375.432 3.688 20 0 GHADHM CCn1cc(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000821565537 606341942 /nfs/dbraw/zinc/34/19/42/606341942.db2.gz XRKVSBJUMHJOGY-CQSZACIVSA-N -1 3 375.432 3.688 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819844296 606345470 /nfs/dbraw/zinc/34/54/70/606345470.db2.gz BIEFRQZBLTXQNW-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819844296 606345472 /nfs/dbraw/zinc/34/54/72/606345472.db2.gz BIEFRQZBLTXQNW-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351865 606352855 /nfs/dbraw/zinc/35/28/55/606352855.db2.gz RPOZPXSQVROZEJ-KGLIPLIRSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351865 606352857 /nfs/dbraw/zinc/35/28/57/606352857.db2.gz RPOZPXSQVROZEJ-KGLIPLIRSA-N -1 3 380.427 3.724 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397530 606362386 /nfs/dbraw/zinc/36/23/86/606362386.db2.gz PULFVTLQDQCXIO-ZDUSSCGKSA-N -1 3 375.388 3.743 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397530 606362388 /nfs/dbraw/zinc/36/23/88/606362388.db2.gz PULFVTLQDQCXIO-ZDUSSCGKSA-N -1 3 375.388 3.743 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397529 606362579 /nfs/dbraw/zinc/36/25/79/606362579.db2.gz PULFVTLQDQCXIO-CYBMUJFWSA-N -1 3 375.388 3.743 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397529 606362581 /nfs/dbraw/zinc/36/25/81/606362581.db2.gz PULFVTLQDQCXIO-CYBMUJFWSA-N -1 3 375.388 3.743 20 0 GHADHM c1c2ccccc2oc1-c1nnc(SCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000823751255 606400329 /nfs/dbraw/zinc/40/03/29/606400329.db2.gz CJBGHTRXDCHMFK-UHFFFAOYSA-N -1 3 376.401 3.955 20 0 GHADHM c1c2ccccc2oc1-c1nnc(SCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000823751255 606400330 /nfs/dbraw/zinc/40/03/30/606400330.db2.gz CJBGHTRXDCHMFK-UHFFFAOYSA-N -1 3 376.401 3.955 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823309472 606439705 /nfs/dbraw/zinc/43/97/05/606439705.db2.gz ZLJFSKUBLVTHGZ-UHFFFAOYSA-N -1 3 386.415 3.717 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823309472 606439706 /nfs/dbraw/zinc/43/97/06/606439706.db2.gz ZLJFSKUBLVTHGZ-UHFFFAOYSA-N -1 3 386.415 3.717 20 0 GHADHM CNC(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821636272 606440010 /nfs/dbraw/zinc/44/00/10/606440010.db2.gz MBPAADGVNSXCHO-UHFFFAOYSA-N -1 3 384.443 3.505 20 0 GHADHM CNC(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821636272 606440011 /nfs/dbraw/zinc/44/00/11/606440011.db2.gz MBPAADGVNSXCHO-UHFFFAOYSA-N -1 3 384.443 3.505 20 0 GHADHM CN(C)C(=O)c1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000821579810 606440095 /nfs/dbraw/zinc/44/00/95/606440095.db2.gz OSBOYBHPNBWTMG-UHFFFAOYSA-N -1 3 398.470 3.848 20 0 GHADHM CN(C)C(=O)c1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000821579810 606440097 /nfs/dbraw/zinc/44/00/97/606440097.db2.gz OSBOYBHPNBWTMG-UHFFFAOYSA-N -1 3 398.470 3.848 20 0 GHADHM Clc1ccc(-c2nc(Sc3ccc(Cl)c(-c4nnn[n-]4)n3)n[nH]2)cc1 ZINC000822568268 606446736 /nfs/dbraw/zinc/44/67/36/606446736.db2.gz OERGPZMMDRPUGU-UHFFFAOYSA-N -1 3 391.247 3.505 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820096906 606449524 /nfs/dbraw/zinc/44/95/24/606449524.db2.gz IEAUIFMFHIMQPZ-UHFFFAOYSA-N -1 3 384.415 3.822 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820096906 606449526 /nfs/dbraw/zinc/44/95/26/606449526.db2.gz IEAUIFMFHIMQPZ-UHFFFAOYSA-N -1 3 384.415 3.822 20 0 GHADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299027 606480738 /nfs/dbraw/zinc/48/07/38/606480738.db2.gz DEGYXWQSVZQPQR-UHFFFAOYSA-N -1 3 388.884 3.824 20 0 GHADHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299027 606480740 /nfs/dbraw/zinc/48/07/40/606480740.db2.gz DEGYXWQSVZQPQR-UHFFFAOYSA-N -1 3 388.884 3.824 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)s1 ZINC000821476311 606484071 /nfs/dbraw/zinc/48/40/71/606484071.db2.gz MGHPDZOKVOJPKR-UHFFFAOYSA-N -1 3 388.503 3.928 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)s1 ZINC000821476311 606484072 /nfs/dbraw/zinc/48/40/72/606484072.db2.gz MGHPDZOKVOJPKR-UHFFFAOYSA-N -1 3 388.503 3.928 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000822732902 606485645 /nfs/dbraw/zinc/48/56/45/606485645.db2.gz NZZGMIXZOURYEM-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000822732902 606485647 /nfs/dbraw/zinc/48/56/47/606485647.db2.gz NZZGMIXZOURYEM-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000822732899 606489638 /nfs/dbraw/zinc/48/96/38/606489638.db2.gz NYKHFWKMJNDNPU-UHFFFAOYSA-N -1 3 396.401 3.508 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000822732899 606489639 /nfs/dbraw/zinc/48/96/39/606489639.db2.gz NYKHFWKMJNDNPU-UHFFFAOYSA-N -1 3 396.401 3.508 20 0 GHADHM CCN(C(=O)C1(Cc2ccccc2)CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147798 606492023 /nfs/dbraw/zinc/49/20/23/606492023.db2.gz JJAQKFGTCOCKNR-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM CCN(C(=O)C1(Cc2ccccc2)CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147798 606492024 /nfs/dbraw/zinc/49/20/24/606492024.db2.gz JJAQKFGTCOCKNR-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000823103512 606492262 /nfs/dbraw/zinc/49/22/62/606492262.db2.gz HUJZGBQQEMRPRI-UHFFFAOYSA-N -1 3 396.882 3.692 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000823103512 606492263 /nfs/dbraw/zinc/49/22/63/606492263.db2.gz HUJZGBQQEMRPRI-UHFFFAOYSA-N -1 3 396.882 3.692 20 0 GHADHM O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823379709 606496863 /nfs/dbraw/zinc/49/68/63/606496863.db2.gz FNHPKHGZNFLHDJ-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823379709 606496864 /nfs/dbraw/zinc/49/68/64/606496864.db2.gz FNHPKHGZNFLHDJ-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(c1ccccc1)c1ccccc1 ZINC000820334775 606504704 /nfs/dbraw/zinc/50/47/04/606504704.db2.gz PXKLSYQEOJXIFW-KRWDZBQOSA-N -1 3 397.482 3.746 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(c1ccccc1)c1ccccc1 ZINC000820334775 606504706 /nfs/dbraw/zinc/50/47/06/606504706.db2.gz PXKLSYQEOJXIFW-KRWDZBQOSA-N -1 3 397.482 3.746 20 0 GHADHM CCCCc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821077642 606513632 /nfs/dbraw/zinc/51/36/32/606513632.db2.gz ORIHQVYSKUFNLC-UHFFFAOYSA-N -1 3 389.463 3.896 20 0 GHADHM CCCCc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821077642 606513634 /nfs/dbraw/zinc/51/36/34/606513634.db2.gz ORIHQVYSKUFNLC-UHFFFAOYSA-N -1 3 389.463 3.896 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000823103275 606529876 /nfs/dbraw/zinc/52/98/76/606529876.db2.gz CLFXMCYEBPQGIO-UHFFFAOYSA-N -1 3 396.882 3.692 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000823103275 606529878 /nfs/dbraw/zinc/52/98/78/606529878.db2.gz CLFXMCYEBPQGIO-UHFFFAOYSA-N -1 3 396.882 3.692 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC000820717308 606533277 /nfs/dbraw/zinc/53/32/77/606533277.db2.gz PHAWRUMCXBVKKT-ZIAGYGMSSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC000820717308 606533279 /nfs/dbraw/zinc/53/32/79/606533279.db2.gz PHAWRUMCXBVKKT-ZIAGYGMSSA-N -1 3 379.489 3.888 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822945764 606549396 /nfs/dbraw/zinc/54/93/96/606549396.db2.gz QAAYWNCFKJKWDZ-DUXPYHPUSA-N -1 3 389.337 3.649 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822945764 606549399 /nfs/dbraw/zinc/54/93/99/606549399.db2.gz QAAYWNCFKJKWDZ-DUXPYHPUSA-N -1 3 389.337 3.649 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1)c1ccccc1 ZINC000820944797 606554750 /nfs/dbraw/zinc/55/47/50/606554750.db2.gz OJKSEZMCOGAZNH-LLVKDONJSA-N -1 3 397.489 3.574 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822238322 606558742 /nfs/dbraw/zinc/55/87/42/606558742.db2.gz CFAZBWDHGAIGEZ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822238322 606558743 /nfs/dbraw/zinc/55/87/43/606558743.db2.gz CFAZBWDHGAIGEZ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823344169 606579822 /nfs/dbraw/zinc/57/98/22/606579822.db2.gz SQPURLDYEIVINI-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823344169 606579823 /nfs/dbraw/zinc/57/98/23/606579823.db2.gz SQPURLDYEIVINI-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM CCCCCC[C@H](C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821048668 606592565 /nfs/dbraw/zinc/59/25/65/606592565.db2.gz FHXRDAWLFCAFPS-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCCC[C@H](C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821048668 606592567 /nfs/dbraw/zinc/59/25/67/606592567.db2.gz FHXRDAWLFCAFPS-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000822977919 606602670 /nfs/dbraw/zinc/60/26/70/606602670.db2.gz CEMLICBWHZVEGT-LJQANCHMSA-N -1 3 379.439 3.692 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000822977919 606602672 /nfs/dbraw/zinc/60/26/72/606602672.db2.gz CEMLICBWHZVEGT-LJQANCHMSA-N -1 3 379.439 3.692 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000822978557 606605880 /nfs/dbraw/zinc/60/58/80/606605880.db2.gz LNFPYRCDTAOREU-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000822978557 606605882 /nfs/dbraw/zinc/60/58/82/606605882.db2.gz LNFPYRCDTAOREU-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823360356 606613642 /nfs/dbraw/zinc/61/36/42/606613642.db2.gz ZYDRRNYMLKZLMI-QFIPXVFZSA-N -1 3 388.475 3.769 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823360356 606613643 /nfs/dbraw/zinc/61/36/43/606613643.db2.gz ZYDRRNYMLKZLMI-QFIPXVFZSA-N -1 3 388.475 3.769 20 0 GHADHM CCCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C ZINC000821081999 606660674 /nfs/dbraw/zinc/66/06/74/606660674.db2.gz DWSIQHYJZMSIQR-UHFFFAOYSA-N -1 3 383.452 3.689 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCO[C@H](C)CC(C)C ZINC000821389537 606666395 /nfs/dbraw/zinc/66/63/95/606666395.db2.gz NLMATLFBVLYESI-GFCCVEGCSA-N -1 3 396.875 3.666 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCO[C@H](C)CC(C)C ZINC000821389537 606666396 /nfs/dbraw/zinc/66/63/96/606666396.db2.gz NLMATLFBVLYESI-GFCCVEGCSA-N -1 3 396.875 3.666 20 0 GHADHM O=C(Nc1ccc(OC2CCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823350533 606667479 /nfs/dbraw/zinc/66/74/79/606667479.db2.gz QKXBRCCNHGDOCT-UHFFFAOYSA-N -1 3 385.374 3.719 20 0 GHADHM O=C(Nc1ccc(OC2CCCC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823350533 606667480 /nfs/dbraw/zinc/66/74/80/606667480.db2.gz QKXBRCCNHGDOCT-UHFFFAOYSA-N -1 3 385.374 3.719 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820292337 606667595 /nfs/dbraw/zinc/66/75/95/606667595.db2.gz CWKYPOBICOQXJG-STQMWFEESA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820292337 606667596 /nfs/dbraw/zinc/66/75/96/606667596.db2.gz CWKYPOBICOQXJG-STQMWFEESA-N -1 3 385.468 3.611 20 0 GHADHM O=C([C@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822916893 606671424 /nfs/dbraw/zinc/67/14/24/606671424.db2.gz HNCBSBICLWFMBL-PXNSSMCTSA-N -1 3 399.454 3.872 20 0 GHADHM O=C([C@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822916893 606671425 /nfs/dbraw/zinc/67/14/25/606671425.db2.gz HNCBSBICLWFMBL-PXNSSMCTSA-N -1 3 399.454 3.872 20 0 GHADHM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149618 606674870 /nfs/dbraw/zinc/67/48/70/606674870.db2.gz DGZLJUSPXMHBPE-PBHICJAKSA-N -1 3 383.402 3.601 20 0 GHADHM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149618 606674871 /nfs/dbraw/zinc/67/48/71/606674871.db2.gz DGZLJUSPXMHBPE-PBHICJAKSA-N -1 3 383.402 3.601 20 0 GHADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823357481 606680142 /nfs/dbraw/zinc/68/01/42/606680142.db2.gz WHFYIPNAZWHLHZ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823357481 606680143 /nfs/dbraw/zinc/68/01/43/606680143.db2.gz WHFYIPNAZWHLHZ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363775 606683758 /nfs/dbraw/zinc/68/37/58/606683758.db2.gz MONMMIYPDLXBKW-UHFFFAOYSA-N -1 3 383.280 3.502 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363775 606683759 /nfs/dbraw/zinc/68/37/59/606683759.db2.gz MONMMIYPDLXBKW-UHFFFAOYSA-N -1 3 383.280 3.502 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820039599 606689520 /nfs/dbraw/zinc/68/95/20/606689520.db2.gz ZPOWJRZMBKFNKZ-QGZVFWFLSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820039599 606689521 /nfs/dbraw/zinc/68/95/21/606689521.db2.gz ZPOWJRZMBKFNKZ-QGZVFWFLSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1cc(C)cc(CS[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822196629 606706533 /nfs/dbraw/zinc/70/65/33/606706533.db2.gz QODKZCKTOZBRMB-OAHLLOKOSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1cc(C)cc(CS[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822196629 606706534 /nfs/dbraw/zinc/70/65/34/606706534.db2.gz QODKZCKTOZBRMB-OAHLLOKOSA-N -1 3 385.518 3.584 20 0 GHADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ncc(-c2ccccc2)o1 ZINC000820502392 606754749 /nfs/dbraw/zinc/75/47/49/606754749.db2.gz QKIUNWZJBRYFBG-SNVBAGLBSA-N -1 3 397.341 3.718 20 0 GHADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncc(-c2ccccc2)o1 ZINC000820502392 606754750 /nfs/dbraw/zinc/75/47/50/606754750.db2.gz QKIUNWZJBRYFBG-SNVBAGLBSA-N -1 3 397.341 3.718 20 0 GHADHM CC(C)CCc1nc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cs1 ZINC000820081735 606756044 /nfs/dbraw/zinc/75/60/44/606756044.db2.gz SZBUEWLWQPHEMU-UHFFFAOYSA-N -1 3 393.419 3.547 20 0 GHADHM CC(C)CCc1nc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000820081735 606756047 /nfs/dbraw/zinc/75/60/47/606756047.db2.gz SZBUEWLWQPHEMU-UHFFFAOYSA-N -1 3 393.419 3.547 20 0 GHADHM CC(C)C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000820062217 606763719 /nfs/dbraw/zinc/76/37/19/606763719.db2.gz KGAVVLLQLJCSCJ-SFHVURJKSA-N -1 3 397.504 3.826 20 0 GHADHM CC(C)C[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820062217 606763720 /nfs/dbraw/zinc/76/37/20/606763720.db2.gz KGAVVLLQLJCSCJ-SFHVURJKSA-N -1 3 397.504 3.826 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821961660 606792912 /nfs/dbraw/zinc/79/29/12/606792912.db2.gz LXLTWPYCDNIQOF-AWEZNQCLSA-N -1 3 397.504 3.839 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821961660 606792914 /nfs/dbraw/zinc/79/29/14/606792914.db2.gz LXLTWPYCDNIQOF-AWEZNQCLSA-N -1 3 397.504 3.839 20 0 GHADHM CC(C)OC(=O)O[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000820142303 606793665 /nfs/dbraw/zinc/79/36/65/606793665.db2.gz JWZMMGCKILCEKU-LBPRGKRZSA-N -1 3 385.449 3.928 20 0 GHADHM CC(C)OC(=O)O[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000820142303 606793667 /nfs/dbraw/zinc/79/36/67/606793667.db2.gz JWZMMGCKILCEKU-LBPRGKRZSA-N -1 3 385.449 3.928 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821837765 606799382 /nfs/dbraw/zinc/79/93/82/606799382.db2.gz HELVGQQVDYOHOM-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821837765 606799383 /nfs/dbraw/zinc/79/93/83/606799383.db2.gz HELVGQQVDYOHOM-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1CCC(F)(F)F ZINC000823109107 606816102 /nfs/dbraw/zinc/81/61/02/606816102.db2.gz YQDUPDSQXCGJQZ-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1CCC(F)(F)F ZINC000823109107 606816104 /nfs/dbraw/zinc/81/61/04/606816104.db2.gz YQDUPDSQXCGJQZ-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM CC(=O)CCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819783502 606829707 /nfs/dbraw/zinc/82/97/07/606829707.db2.gz YITLTHVWSCPZEW-UHFFFAOYSA-N -1 3 379.420 3.526 20 0 GHADHM CC(C)(NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000819988225 606834137 /nfs/dbraw/zinc/83/41/37/606834137.db2.gz USQDJFPJDOHOPQ-UHFFFAOYSA-N -1 3 382.493 3.583 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823175418 606834185 /nfs/dbraw/zinc/83/41/85/606834185.db2.gz IBEWDUYUKGYPIS-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823175418 606834187 /nfs/dbraw/zinc/83/41/87/606834187.db2.gz IBEWDUYUKGYPIS-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM CCCCc1noc([C@@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821082969 606840377 /nfs/dbraw/zinc/84/03/77/606840377.db2.gz QQCUORHDEJYYNY-CYBMUJFWSA-N -1 3 388.497 3.856 20 0 GHADHM CCCCc1noc([C@@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821082969 606840379 /nfs/dbraw/zinc/84/03/79/606840379.db2.gz QQCUORHDEJYYNY-CYBMUJFWSA-N -1 3 388.497 3.856 20 0 GHADHM CC(=O)c1ccccc1OCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819844408 606840423 /nfs/dbraw/zinc/84/04/23/606840423.db2.gz HGAHSYBVKHIZKZ-UHFFFAOYSA-N -1 3 398.488 3.650 20 0 GHADHM CC(=O)c1ccccc1OCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819844408 606840425 /nfs/dbraw/zinc/84/04/25/606840425.db2.gz HGAHSYBVKHIZKZ-UHFFFAOYSA-N -1 3 398.488 3.650 20 0 GHADHM Cc1cccc(NC(=O)[C@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822323610 606843226 /nfs/dbraw/zinc/84/32/26/606843226.db2.gz KKSZSROXNHWBKM-HNNXBMFYSA-N -1 3 397.504 3.704 20 0 GHADHM Cc1cccc(NC(=O)[C@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822323610 606843227 /nfs/dbraw/zinc/84/32/27/606843227.db2.gz KKSZSROXNHWBKM-HNNXBMFYSA-N -1 3 397.504 3.704 20 0 GHADHM C[C@@H]1CC[C@@H](C)N1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820683802 606869254 /nfs/dbraw/zinc/86/92/54/606869254.db2.gz HJNMMDNBRRAXCW-CHWSQXEVSA-N -1 3 382.493 3.678 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823331261 606907034 /nfs/dbraw/zinc/90/70/34/606907034.db2.gz DGRXMNRUMDFEFJ-MRXNPFEDSA-N -1 3 394.410 3.574 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823331261 606907036 /nfs/dbraw/zinc/90/70/36/606907036.db2.gz DGRXMNRUMDFEFJ-MRXNPFEDSA-N -1 3 394.410 3.574 20 0 GHADHM Cc1ccc(CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2)o1 ZINC000822237364 606927269 /nfs/dbraw/zinc/92/72/69/606927269.db2.gz QJJYCBWFOCXBHD-HXUWFJFHSA-N -1 3 393.422 3.647 20 0 GHADHM Cc1ccc(CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2)o1 ZINC000822237364 606927270 /nfs/dbraw/zinc/92/72/70/606927270.db2.gz QJJYCBWFOCXBHD-HXUWFJFHSA-N -1 3 393.422 3.647 20 0 GHADHM Fc1ccc(CNc2c(F)cc(Br)cc2F)cc1-c1nnn[n-]1 ZINC000822772400 606931604 /nfs/dbraw/zinc/93/16/04/606931604.db2.gz XJHKGWOFIPLYNK-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(CNc2c(F)cc(Br)cc2F)cc1-c1nn[n-]n1 ZINC000822772400 606931605 /nfs/dbraw/zinc/93/16/05/606931605.db2.gz XJHKGWOFIPLYNK-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM FC(F)(F)c1ccc(NC[C@@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822728940 606936462 /nfs/dbraw/zinc/93/64/62/606936462.db2.gz NJUFSXJWHOQIBE-INIZCTEOSA-N -1 3 375.354 3.611 20 0 GHADHM FC(F)(F)c1ccc(NC[C@@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822728940 606936463 /nfs/dbraw/zinc/93/64/63/606936463.db2.gz NJUFSXJWHOQIBE-INIZCTEOSA-N -1 3 375.354 3.611 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822214092 606946654 /nfs/dbraw/zinc/94/66/54/606946654.db2.gz OYESFJJLUOYHLW-LSDHHAIUSA-N -1 3 389.463 3.945 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349791 606951855 /nfs/dbraw/zinc/95/18/55/606951855.db2.gz IISXIDPXGLCMIK-QRWLVFNGSA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349791 606951857 /nfs/dbraw/zinc/95/18/57/606951857.db2.gz IISXIDPXGLCMIK-QRWLVFNGSA-N -1 3 390.491 3.893 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc(Cl)c1F ZINC000823387441 606956713 /nfs/dbraw/zinc/95/67/13/606956713.db2.gz KAKHKLHJXCPLAL-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc(Cl)c1F ZINC000823387441 606956714 /nfs/dbraw/zinc/95/67/14/606956714.db2.gz KAKHKLHJXCPLAL-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM CC(C)COc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820102702 606957177 /nfs/dbraw/zinc/95/71/77/606957177.db2.gz HNNLWGCKQQESPE-INIZCTEOSA-N -1 3 393.491 3.712 20 0 GHADHM CC(C)COc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102702 606957178 /nfs/dbraw/zinc/95/71/78/606957178.db2.gz HNNLWGCKQQESPE-INIZCTEOSA-N -1 3 393.491 3.712 20 0 GHADHM CCn1cc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c2ccccc21 ZINC000821565318 606960268 /nfs/dbraw/zinc/96/02/68/606960268.db2.gz NMXQABFNLNASAL-UHFFFAOYSA-N -1 3 394.866 3.700 20 0 GHADHM CCn1cc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c2ccccc21 ZINC000821565318 606960270 /nfs/dbraw/zinc/96/02/70/606960270.db2.gz NMXQABFNLNASAL-UHFFFAOYSA-N -1 3 394.866 3.700 20 0 GHADHM CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569558 606960772 /nfs/dbraw/zinc/96/07/72/606960772.db2.gz ODAIJKWGISSXNO-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569558 606960773 /nfs/dbraw/zinc/96/07/73/606960773.db2.gz ODAIJKWGISSXNO-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM Cc1c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cnc2ccccc12 ZINC000822016104 606961758 /nfs/dbraw/zinc/96/17/58/606961758.db2.gz VIEAMFVDLUIPCK-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cnc2ccccc12 ZINC000822016104 606961759 /nfs/dbraw/zinc/96/17/59/606961759.db2.gz VIEAMFVDLUIPCK-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820570534 606966161 /nfs/dbraw/zinc/96/61/61/606966161.db2.gz LXJDYXLRFZKVAZ-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820570534 606966162 /nfs/dbraw/zinc/96/61/62/606966162.db2.gz LXJDYXLRFZKVAZ-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1sccc1-c1nnn[n-]1 ZINC000823332830 606967384 /nfs/dbraw/zinc/96/73/84/606967384.db2.gz RVIYCONJMZSZRD-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1sccc1-c1nn[n-]n1 ZINC000823332830 606967385 /nfs/dbraw/zinc/96/73/85/606967385.db2.gz RVIYCONJMZSZRD-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820876118 607000541 /nfs/dbraw/zinc/00/05/41/607000541.db2.gz LXIBOTJEHYLTLM-CQSZACIVSA-N -1 3 395.463 3.840 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820876118 607000543 /nfs/dbraw/zinc/00/05/43/607000543.db2.gz LXIBOTJEHYLTLM-CQSZACIVSA-N -1 3 395.463 3.840 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822232866 607001954 /nfs/dbraw/zinc/00/19/54/607001954.db2.gz CLAGBEQABBVGDL-APWZRJJASA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822232866 607001955 /nfs/dbraw/zinc/00/19/55/607001955.db2.gz CLAGBEQABBVGDL-APWZRJJASA-N -1 3 396.422 3.525 20 0 GHADHM Brc1ccc2nc(CSc3cccc(-c4nnn[n-]4)c3)cn2c1 ZINC000819688297 607014664 /nfs/dbraw/zinc/01/46/64/607014664.db2.gz FQIUGBNEPMZBQL-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1ccc2nc(CSc3cccc(-c4nn[n-]n4)c3)cn2c1 ZINC000819688297 607014665 /nfs/dbraw/zinc/01/46/65/607014665.db2.gz FQIUGBNEPMZBQL-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821431429 607015156 /nfs/dbraw/zinc/01/51/56/607015156.db2.gz UOPSUZQDWSBXKG-QGZVFWFLSA-N -1 3 397.504 3.625 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821431429 607015157 /nfs/dbraw/zinc/01/51/57/607015157.db2.gz UOPSUZQDWSBXKG-QGZVFWFLSA-N -1 3 397.504 3.625 20 0 GHADHM COc1ccc(C)cc1CSCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821782868 607016825 /nfs/dbraw/zinc/01/68/25/607016825.db2.gz QJOWLPVPILYSEQ-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(C)cc1CSCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821782868 607016827 /nfs/dbraw/zinc/01/68/27/607016827.db2.gz QJOWLPVPILYSEQ-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM Cc1ccc(CS[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822240070 607017630 /nfs/dbraw/zinc/01/76/30/607017630.db2.gz RAFUBJMWMQOSFB-OAHLLOKOSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1ccc(CS[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822240070 607017632 /nfs/dbraw/zinc/01/76/32/607017632.db2.gz RAFUBJMWMQOSFB-OAHLLOKOSA-N -1 3 385.518 3.584 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823479007 607021018 /nfs/dbraw/zinc/02/10/18/607021018.db2.gz ZIKKYUFWODGVGA-UHFFFAOYSA-N -1 3 391.378 3.638 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823479007 607021020 /nfs/dbraw/zinc/02/10/20/607021020.db2.gz ZIKKYUFWODGVGA-UHFFFAOYSA-N -1 3 391.378 3.638 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000822757886 607038807 /nfs/dbraw/zinc/03/88/07/607038807.db2.gz GSVUTEGGIJGERX-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000822757886 607038808 /nfs/dbraw/zinc/03/88/08/607038808.db2.gz GSVUTEGGIJGERX-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823092699 607071081 /nfs/dbraw/zinc/07/10/81/607071081.db2.gz IFRCNNJZQLFBRA-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823092699 607071083 /nfs/dbraw/zinc/07/10/83/607071083.db2.gz IFRCNNJZQLFBRA-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc2nc(Cl)ccc2c1 ZINC000823418916 607080298 /nfs/dbraw/zinc/08/02/98/607080298.db2.gz YVXBZMWQSBPBGM-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc2nc(Cl)ccc2c1 ZINC000823418916 607080299 /nfs/dbraw/zinc/08/02/99/607080299.db2.gz YVXBZMWQSBPBGM-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821394134 607094005 /nfs/dbraw/zinc/09/40/05/607094005.db2.gz HOQMXDVXFFFVCC-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821394134 607094006 /nfs/dbraw/zinc/09/40/06/607094006.db2.gz HOQMXDVXFFFVCC-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H](c2ccsc2)O1 ZINC000820769140 607115993 /nfs/dbraw/zinc/11/59/93/607115993.db2.gz ROJKYFLAJNJLQX-ZUZCIYMTSA-N -1 3 395.410 3.913 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000822723953 607131285 /nfs/dbraw/zinc/13/12/85/607131285.db2.gz UMZCLRHUIJLHCT-NSHDSACASA-N -1 3 382.390 3.574 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000822723953 607131286 /nfs/dbraw/zinc/13/12/86/607131286.db2.gz UMZCLRHUIJLHCT-NSHDSACASA-N -1 3 382.390 3.574 20 0 GHADHM Cc1cc(-c2noc([C@H](C)Oc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1F ZINC000822153542 607138616 /nfs/dbraw/zinc/13/86/16/607138616.db2.gz MOZVPFXRXQFKAT-JTQLQIEISA-N -1 3 384.346 3.643 20 0 GHADHM Cc1cc(-c2noc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1F ZINC000822153542 607138617 /nfs/dbraw/zinc/13/86/17/607138617.db2.gz MOZVPFXRXQFKAT-JTQLQIEISA-N -1 3 384.346 3.643 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000821104609 607139134 /nfs/dbraw/zinc/13/91/34/607139134.db2.gz JZPNNEOFXMEYJO-UHFFFAOYSA-N -1 3 385.859 3.668 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000821104609 607139136 /nfs/dbraw/zinc/13/91/36/607139136.db2.gz JZPNNEOFXMEYJO-UHFFFAOYSA-N -1 3 385.859 3.668 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000821469262 607153491 /nfs/dbraw/zinc/15/34/91/607153491.db2.gz ALCYXXXHJFNEQM-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CN(C(=O)c1ccc(Cl)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000821573555 607157371 /nfs/dbraw/zinc/15/73/71/607157371.db2.gz VKJBRKQATCAMQW-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Cl)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000821573555 607157373 /nfs/dbraw/zinc/15/73/73/607157373.db2.gz VKJBRKQATCAMQW-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM FC(F)(F)c1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822728311 607164964 /nfs/dbraw/zinc/16/49/64/607164964.db2.gz GLTYYALQJQAANL-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822728311 607164966 /nfs/dbraw/zinc/16/49/66/607164966.db2.gz GLTYYALQJQAANL-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821883202 607172418 /nfs/dbraw/zinc/17/24/18/607172418.db2.gz SCYBWCPBCJPKEM-VBKZILBWSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821883202 607172419 /nfs/dbraw/zinc/17/24/19/607172419.db2.gz SCYBWCPBCJPKEM-VBKZILBWSA-N -1 3 375.432 3.909 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000820526052 607192350 /nfs/dbraw/zinc/19/23/50/607192350.db2.gz HYJALGWIJKKGSH-VIFPVBQESA-N -1 3 393.781 3.864 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821456195 607198119 /nfs/dbraw/zinc/19/81/19/607198119.db2.gz OCQYQGKADMHBNL-VXGBXAGGSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821456195 607198120 /nfs/dbraw/zinc/19/81/20/607198120.db2.gz OCQYQGKADMHBNL-VXGBXAGGSA-N -1 3 380.905 3.706 20 0 GHADHM CC(C)Oc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000820178334 607199855 /nfs/dbraw/zinc/19/98/55/607199855.db2.gz NGWIHSBAPCUXPS-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM CC(C)Oc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820178334 607199856 /nfs/dbraw/zinc/19/98/56/607199856.db2.gz NGWIHSBAPCUXPS-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC=C(c2ccc(F)cc2)CC1 ZINC000823313439 607200439 /nfs/dbraw/zinc/20/04/39/607200439.db2.gz ATAFNRWRBMHBTC-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC=C(c2ccc(F)cc2)CC1 ZINC000823313439 607200440 /nfs/dbraw/zinc/20/04/40/607200440.db2.gz ATAFNRWRBMHBTC-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823314151 607203009 /nfs/dbraw/zinc/20/30/09/607203009.db2.gz MUIANHUQYMWTOW-CYBMUJFWSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823314151 607203010 /nfs/dbraw/zinc/20/30/10/607203010.db2.gz MUIANHUQYMWTOW-CYBMUJFWSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822928003 607241660 /nfs/dbraw/zinc/24/16/60/607241660.db2.gz CKBSMZXUVOODSC-CSKARUKUSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822928003 607241661 /nfs/dbraw/zinc/24/16/61/607241661.db2.gz CKBSMZXUVOODSC-CSKARUKUSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(F)cccc1Br ZINC000823318623 607241693 /nfs/dbraw/zinc/24/16/93/607241693.db2.gz FZQFOLWOMAGZTK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(F)cccc1Br ZINC000823318623 607241694 /nfs/dbraw/zinc/24/16/94/607241694.db2.gz FZQFOLWOMAGZTK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(-c2cscn2)c1 ZINC000823319092 607243199 /nfs/dbraw/zinc/24/31/99/607243199.db2.gz QOMYEDAMYGHGOK-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(-c2cscn2)c1 ZINC000823319092 607243200 /nfs/dbraw/zinc/24/32/00/607243200.db2.gz QOMYEDAMYGHGOK-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1occc1COc1ccccc1 ZINC000823319422 607244271 /nfs/dbraw/zinc/24/42/71/607244271.db2.gz VDJRGFKUTRYOMX-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1occc1COc1ccccc1 ZINC000823319422 607244272 /nfs/dbraw/zinc/24/42/72/607244272.db2.gz VDJRGFKUTRYOMX-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cnc(Cc2ccccc2)s1 ZINC000823318627 607244280 /nfs/dbraw/zinc/24/42/80/607244280.db2.gz GBIOBHKZAZLGBB-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cnc(Cc2ccccc2)s1 ZINC000823318627 607244281 /nfs/dbraw/zinc/24/42/81/607244281.db2.gz GBIOBHKZAZLGBB-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM Cc1c(NC(=S)Nc2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822115935 607251881 /nfs/dbraw/zinc/25/18/81/607251881.db2.gz JIIQQPFAWNATPB-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM Cc1c(NC(=S)Nc2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822115935 607251882 /nfs/dbraw/zinc/25/18/82/607251882.db2.gz JIIQQPFAWNATPB-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ccsc21 ZINC000826420238 607772609 /nfs/dbraw/zinc/77/26/09/607772609.db2.gz DVSCESGXAOSOKF-UHFFFAOYSA-N -1 3 381.486 3.953 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccsc21 ZINC000826420238 607772610 /nfs/dbraw/zinc/77/26/10/607772610.db2.gz DVSCESGXAOSOKF-UHFFFAOYSA-N -1 3 381.486 3.953 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c(C)s1 ZINC000826323958 607779184 /nfs/dbraw/zinc/77/91/84/607779184.db2.gz ZDMCJHDORJVQLA-UHFFFAOYSA-N -1 3 393.428 3.952 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c(C)s1 ZINC000826323958 607779185 /nfs/dbraw/zinc/77/91/85/607779185.db2.gz ZDMCJHDORJVQLA-UHFFFAOYSA-N -1 3 393.428 3.952 20 0 GHADHM Fc1ccc(CSCc2nc(C(F)(F)F)cs2)c(-c2nnn[n-]2)c1 ZINC000826374768 607785270 /nfs/dbraw/zinc/78/52/70/607785270.db2.gz LRDFQIZAEYPXHB-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM Fc1ccc(CSCc2nc(C(F)(F)F)cs2)c(-c2nn[n-]n2)c1 ZINC000826374768 607785271 /nfs/dbraw/zinc/78/52/71/607785271.db2.gz LRDFQIZAEYPXHB-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1ccccc1-c1nnn[n-]1 ZINC000825833161 607789363 /nfs/dbraw/zinc/78/93/63/607789363.db2.gz AAKBOGIRBDRNDD-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1ccccc1-c1nn[n-]n1 ZINC000825833161 607789364 /nfs/dbraw/zinc/78/93/64/607789364.db2.gz AAKBOGIRBDRNDD-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000824385223 607790416 /nfs/dbraw/zinc/79/04/16/607790416.db2.gz OICXJARPLRJVFV-VIFPVBQESA-N -1 3 377.782 3.931 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000824385223 607790417 /nfs/dbraw/zinc/79/04/17/607790417.db2.gz OICXJARPLRJVFV-VIFPVBQESA-N -1 3 377.782 3.931 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CC2(C)CCCCC2)c1C ZINC000826331787 607795894 /nfs/dbraw/zinc/79/58/94/607795894.db2.gz XVLNBUWZOQRAOB-UHFFFAOYSA-N -1 3 393.495 3.968 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829936 607796035 /nfs/dbraw/zinc/79/60/35/607796035.db2.gz LEXUEEJCRJVNSM-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829936 607796036 /nfs/dbraw/zinc/79/60/36/607796036.db2.gz LEXUEEJCRJVNSM-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CCN(C(=O)c1cccc(OCC=C(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385342 607800261 /nfs/dbraw/zinc/80/02/61/607800261.db2.gz CRYFWLNLAVLKGY-UHFFFAOYSA-N -1 3 377.448 3.878 20 0 GHADHM CCN(C(=O)c1cccc(OCC=C(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385342 607800262 /nfs/dbraw/zinc/80/02/62/607800262.db2.gz CRYFWLNLAVLKGY-UHFFFAOYSA-N -1 3 377.448 3.878 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CC2(CC(F)C2)C1 ZINC000826473950 607807485 /nfs/dbraw/zinc/80/74/85/607807485.db2.gz UTECLKAOPRJRIP-UHFFFAOYSA-N -1 3 395.463 3.592 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CC2(CC(F)C2)C1 ZINC000826473950 607807486 /nfs/dbraw/zinc/80/74/86/607807486.db2.gz UTECLKAOPRJRIP-UHFFFAOYSA-N -1 3 395.463 3.592 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119574 607826711 /nfs/dbraw/zinc/82/67/11/607826711.db2.gz LBRJFBQEOCRTGG-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119574 607826712 /nfs/dbraw/zinc/82/67/12/607826712.db2.gz LBRJFBQEOCRTGG-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM C[C@@H](Cc1cccs1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824459041 607834113 /nfs/dbraw/zinc/83/41/13/607834113.db2.gz YMNBXTMURWCIQI-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@@H](Cc1cccs1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824459041 607834114 /nfs/dbraw/zinc/83/41/14/607834114.db2.gz YMNBXTMURWCIQI-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM CCN(C(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366575 607878640 /nfs/dbraw/zinc/87/86/40/607878640.db2.gz CGGZCLIATOGQLE-MRXNPFEDSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366575 607878641 /nfs/dbraw/zinc/87/86/41/607878641.db2.gz CGGZCLIATOGQLE-MRXNPFEDSA-N -1 3 381.867 3.993 20 0 GHADHM CCc1ccc(OCC(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825718143 607879333 /nfs/dbraw/zinc/87/93/33/607879333.db2.gz XCZBIBONNLGKNK-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCc1ccc(OCC(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825718143 607879334 /nfs/dbraw/zinc/87/93/34/607879334.db2.gz XCZBIBONNLGKNK-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCSc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000825674874 607879510 /nfs/dbraw/zinc/87/95/10/607879510.db2.gz TVRCULDLPANCCL-UHFFFAOYSA-N -1 3 388.884 3.694 20 0 GHADHM CCSc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000825674874 607879511 /nfs/dbraw/zinc/87/95/11/607879511.db2.gz TVRCULDLPANCCL-UHFFFAOYSA-N -1 3 388.884 3.694 20 0 GHADHM Cc1ccnc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000826308783 607880878 /nfs/dbraw/zinc/88/08/78/607880878.db2.gz PNAGKIWDPUBIRY-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccnc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000826308783 607880879 /nfs/dbraw/zinc/88/08/79/607880879.db2.gz PNAGKIWDPUBIRY-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc12 ZINC000826304794 607915708 /nfs/dbraw/zinc/91/57/08/607915708.db2.gz YLTWOJRZYXZFPR-MDWZMJQESA-N -1 3 382.786 3.700 20 0 GHADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc12 ZINC000826304794 607915709 /nfs/dbraw/zinc/91/57/09/607915709.db2.gz YLTWOJRZYXZFPR-MDWZMJQESA-N -1 3 382.786 3.700 20 0 GHADHM CC(C)CSCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824273985 607917311 /nfs/dbraw/zinc/91/73/11/607917311.db2.gz AHPXXVLANLXECJ-UHFFFAOYSA-N -1 3 381.505 3.653 20 0 GHADHM CC(C)CSCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824273985 607917312 /nfs/dbraw/zinc/91/73/12/607917312.db2.gz AHPXXVLANLXECJ-UHFFFAOYSA-N -1 3 381.505 3.653 20 0 GHADHM CC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)noc1C ZINC000825141337 607930955 /nfs/dbraw/zinc/93/09/55/607930955.db2.gz NWERCKPZRVQMFL-ZDUSSCGKSA-N -1 3 391.888 3.563 20 0 GHADHM CC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)noc1C ZINC000825141337 607930956 /nfs/dbraw/zinc/93/09/56/607930956.db2.gz NWERCKPZRVQMFL-ZDUSSCGKSA-N -1 3 391.888 3.563 20 0 GHADHM CN(C(=O)CN(Cc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825817123 607934085 /nfs/dbraw/zinc/93/40/85/607934085.db2.gz BOTMLJQXMZGFFU-UHFFFAOYSA-N -1 3 398.470 3.536 20 0 GHADHM CN(C(=O)CN(Cc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825817123 607934086 /nfs/dbraw/zinc/93/40/86/607934086.db2.gz BOTMLJQXMZGFFU-UHFFFAOYSA-N -1 3 398.470 3.536 20 0 GHADHM CS[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000826224893 607939020 /nfs/dbraw/zinc/93/90/20/607939020.db2.gz OLZVXSMFMOKPCW-AWEZNQCLSA-N -1 3 399.495 3.989 20 0 GHADHM CS[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000826224893 607939021 /nfs/dbraw/zinc/93/90/21/607939021.db2.gz OLZVXSMFMOKPCW-AWEZNQCLSA-N -1 3 399.495 3.989 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826284743 607947306 /nfs/dbraw/zinc/94/73/06/607947306.db2.gz DCBKKKGUTOMXEJ-LWNBXFKYSA-N -1 3 390.443 3.652 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)cc1 ZINC000826284743 607947307 /nfs/dbraw/zinc/94/73/07/607947307.db2.gz DCBKKKGUTOMXEJ-LWNBXFKYSA-N -1 3 390.443 3.652 20 0 GHADHM O=C([C@H](Oc1ccccc1)c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397736 607951164 /nfs/dbraw/zinc/95/11/64/607951164.db2.gz JSOPLCBBQNVJLV-OAQYLSRUSA-N -1 3 397.438 3.576 20 0 GHADHM O=C([C@H](Oc1ccccc1)c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397736 607951165 /nfs/dbraw/zinc/95/11/65/607951165.db2.gz JSOPLCBBQNVJLV-OAQYLSRUSA-N -1 3 397.438 3.576 20 0 GHADHM CC(C)CN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249464 607961971 /nfs/dbraw/zinc/96/19/71/607961971.db2.gz ODNFEPGIGUEQET-BAQGIRSFSA-N -1 3 382.855 3.618 20 0 GHADHM CC(C)CN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249464 607961972 /nfs/dbraw/zinc/96/19/72/607961972.db2.gz ODNFEPGIGUEQET-BAQGIRSFSA-N -1 3 382.855 3.618 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337197 607965884 /nfs/dbraw/zinc/96/58/84/607965884.db2.gz GGZMGWCXFCENQN-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337197 607965885 /nfs/dbraw/zinc/96/58/85/607965885.db2.gz GGZMGWCXFCENQN-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Clc1ccc(-c2nc(CCNc3ncccc3-c3nnn[n-]3)cs2)cc1 ZINC000826351360 607968674 /nfs/dbraw/zinc/96/86/74/607968674.db2.gz JUSQHQUDUWMKIT-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM Clc1ccc(-c2nc(CCNc3ncccc3-c3nn[n-]n3)cs2)cc1 ZINC000826351360 607968675 /nfs/dbraw/zinc/96/86/75/607968675.db2.gz JUSQHQUDUWMKIT-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824435066 608017007 /nfs/dbraw/zinc/01/70/07/608017007.db2.gz LIRCLLJMJQARNQ-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824435066 608017008 /nfs/dbraw/zinc/01/70/08/608017008.db2.gz LIRCLLJMJQARNQ-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2ccc(F)cc2F)CCCC1 ZINC000826426106 608029904 /nfs/dbraw/zinc/02/99/04/608029904.db2.gz FNCBQRHSGAUIPO-UHFFFAOYSA-N -1 3 395.413 3.546 20 0 GHADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2ccc(F)cc2F)CCCC1 ZINC000826426106 608029905 /nfs/dbraw/zinc/02/99/05/608029905.db2.gz FNCBQRHSGAUIPO-UHFFFAOYSA-N -1 3 395.413 3.546 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc[nH]1 ZINC000824506363 608031142 /nfs/dbraw/zinc/03/11/42/608031142.db2.gz NJDYZPWXVUOQND-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc[nH]1 ZINC000824506363 608031143 /nfs/dbraw/zinc/03/11/43/608031143.db2.gz NJDYZPWXVUOQND-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000826278097 608031377 /nfs/dbraw/zinc/03/13/77/608031377.db2.gz RAIBOQSJDKKHOO-UHFFFAOYSA-N -1 3 390.398 3.609 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000826278097 608031378 /nfs/dbraw/zinc/03/13/78/608031378.db2.gz RAIBOQSJDKKHOO-UHFFFAOYSA-N -1 3 390.398 3.609 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824249948 608047682 /nfs/dbraw/zinc/04/76/82/608047682.db2.gz ZDNBVZBTNXPBQM-UHFFFAOYSA-N -1 3 394.317 3.661 20 0 GHADHM Cc1cccc2oc(CCNc3ccc(-c4nn[n-]n4)cc3Br)nc21 ZINC000826304873 608050710 /nfs/dbraw/zinc/05/07/10/608050710.db2.gz BOASLJAYDVOYSN-UHFFFAOYSA-N -1 3 399.252 3.733 20 0 GHADHM CC(C)c1ccccc1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824352619 608072215 /nfs/dbraw/zinc/07/22/15/608072215.db2.gz KOOGBKITSFAHML-IBGZPJMESA-N -1 3 392.463 3.596 20 0 GHADHM CC(C)c1ccccc1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824352619 608072216 /nfs/dbraw/zinc/07/22/16/608072216.db2.gz KOOGBKITSFAHML-IBGZPJMESA-N -1 3 392.463 3.596 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271198 608084570 /nfs/dbraw/zinc/08/45/70/608084570.db2.gz IEIVYFOZUGHMEW-LPHOPBHVSA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271198 608084571 /nfs/dbraw/zinc/08/45/71/608084571.db2.gz IEIVYFOZUGHMEW-LPHOPBHVSA-N -1 3 385.512 3.763 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825075277 608085366 /nfs/dbraw/zinc/08/53/66/608085366.db2.gz OAWVJGNCDVJYST-QRWLVFNGSA-N -1 3 391.475 3.594 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825075277 608085367 /nfs/dbraw/zinc/08/53/67/608085367.db2.gz OAWVJGNCDVJYST-QRWLVFNGSA-N -1 3 391.475 3.594 20 0 GHADHM COCc1cccc(OCC2(CSc3cc(-c4nnn[n-]4)ccn3)CCC2)c1 ZINC000826164662 608108957 /nfs/dbraw/zinc/10/89/57/608108957.db2.gz KFSZAFJXXSKJAQ-UHFFFAOYSA-N -1 3 397.504 3.750 20 0 GHADHM COCc1cccc(OCC2(CSc3cc(-c4nn[n-]n4)ccn3)CCC2)c1 ZINC000826164662 608108958 /nfs/dbraw/zinc/10/89/58/608108958.db2.gz KFSZAFJXXSKJAQ-UHFFFAOYSA-N -1 3 397.504 3.750 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868105 608119412 /nfs/dbraw/zinc/11/94/12/608119412.db2.gz SVTQZWNXWRIROR-DJJJIMSYSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868105 608119413 /nfs/dbraw/zinc/11/94/13/608119413.db2.gz SVTQZWNXWRIROR-DJJJIMSYSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824864362 608153834 /nfs/dbraw/zinc/15/38/34/608153834.db2.gz ASPIKHLAAYUWOM-DJJJIMSYSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824864362 608153836 /nfs/dbraw/zinc/15/38/36/608153836.db2.gz ASPIKHLAAYUWOM-DJJJIMSYSA-N -1 3 391.431 3.603 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000825705031 608173529 /nfs/dbraw/zinc/17/35/29/608173529.db2.gz UOSRCWTZPSPLLN-CYBMUJFWSA-N -1 3 389.463 3.541 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000825705031 608173531 /nfs/dbraw/zinc/17/35/31/608173531.db2.gz UOSRCWTZPSPLLN-CYBMUJFWSA-N -1 3 389.463 3.541 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1ccc2ccccc2c1 ZINC000825793207 608174800 /nfs/dbraw/zinc/17/48/00/608174800.db2.gz OFOVJUVUOWSHBQ-UHFFFAOYSA-N -1 3 397.442 3.571 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1ccc2ccccc2c1 ZINC000825793207 608174801 /nfs/dbraw/zinc/17/48/01/608174801.db2.gz OFOVJUVUOWSHBQ-UHFFFAOYSA-N -1 3 397.442 3.571 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1cccc2ccccc21 ZINC000825793079 608176388 /nfs/dbraw/zinc/17/63/88/608176388.db2.gz MGSQPCNZEIFTOP-UHFFFAOYSA-N -1 3 397.442 3.571 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1cccc2ccccc21 ZINC000825793079 608176389 /nfs/dbraw/zinc/17/63/89/608176389.db2.gz MGSQPCNZEIFTOP-UHFFFAOYSA-N -1 3 397.442 3.571 20 0 GHADHM Clc1cccc(SCc2nc(-c3ccsc3)no2)c1-c1nnn[n-]1 ZINC000826353529 608207408 /nfs/dbraw/zinc/20/74/08/608207408.db2.gz SXZXPAQSTMRKEG-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cccc(SCc2nc(-c3ccsc3)no2)c1-c1nn[n-]n1 ZINC000826353529 608207410 /nfs/dbraw/zinc/20/74/10/608207410.db2.gz SXZXPAQSTMRKEG-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Cc1cccc2c(=O)[nH]c(CSc3cccc(Cl)c3-c3nnn[n-]3)nc12 ZINC000826304576 608207901 /nfs/dbraw/zinc/20/79/01/608207901.db2.gz QFUONHZLYBTPDR-UHFFFAOYSA-N -1 3 384.852 3.770 20 0 GHADHM Cc1cccc2c(=O)[nH]c(CSc3cccc(Cl)c3-c3nn[n-]n3)nc12 ZINC000826304576 608207902 /nfs/dbraw/zinc/20/79/02/608207902.db2.gz QFUONHZLYBTPDR-UHFFFAOYSA-N -1 3 384.852 3.770 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000826353641 608227287 /nfs/dbraw/zinc/22/72/87/608227287.db2.gz XWAHCAFTAGTTGB-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000826353641 608227288 /nfs/dbraw/zinc/22/72/88/608227288.db2.gz XWAHCAFTAGTTGB-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(Oc3ccccc3)nn2)n1 ZINC000826263036 608230923 /nfs/dbraw/zinc/23/09/23/608230923.db2.gz IQFJXIDLFHPASQ-UHFFFAOYSA-N -1 3 391.460 3.753 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(Oc3ccccc3)nn2)n1 ZINC000826263036 608230925 /nfs/dbraw/zinc/23/09/25/608230925.db2.gz IQFJXIDLFHPASQ-UHFFFAOYSA-N -1 3 391.460 3.753 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825749250 608241236 /nfs/dbraw/zinc/24/12/36/608241236.db2.gz AKJWVMOQMBUIKD-UHFFFAOYSA-N -1 3 391.454 3.759 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825749250 608241237 /nfs/dbraw/zinc/24/12/37/608241237.db2.gz AKJWVMOQMBUIKD-UHFFFAOYSA-N -1 3 391.454 3.759 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1ccc(C2CC2)cc1 ZINC000826175741 608244462 /nfs/dbraw/zinc/24/44/62/608244462.db2.gz OKDPZXUGXHWZFI-UHFFFAOYSA-N -1 3 393.447 3.550 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1ccc(C2CC2)cc1 ZINC000826175741 608244463 /nfs/dbraw/zinc/24/44/63/608244463.db2.gz OKDPZXUGXHWZFI-UHFFFAOYSA-N -1 3 393.447 3.550 20 0 GHADHM CCc1ccc(C2=CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704808 608246667 /nfs/dbraw/zinc/24/66/67/608246667.db2.gz NLTLDUMPSJEHIT-UHFFFAOYSA-N -1 3 387.487 3.678 20 0 GHADHM CCc1ccc(C2=CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825704808 608246669 /nfs/dbraw/zinc/24/66/69/608246669.db2.gz NLTLDUMPSJEHIT-UHFFFAOYSA-N -1 3 387.487 3.678 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C(F)(F)c1ccccc1F ZINC000826460547 608264939 /nfs/dbraw/zinc/26/49/39/608264939.db2.gz HUAZURLVSMMPRN-UHFFFAOYSA-N -1 3 393.394 3.677 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(F)(F)c1ccccc1F ZINC000826460547 608264941 /nfs/dbraw/zinc/26/49/41/608264941.db2.gz HUAZURLVSMMPRN-UHFFFAOYSA-N -1 3 393.394 3.677 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1F ZINC000826288896 608265106 /nfs/dbraw/zinc/26/51/06/608265106.db2.gz BGSUSONJBZVHFQ-MRVPVSSYSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1F ZINC000826288896 608265107 /nfs/dbraw/zinc/26/51/07/608265107.db2.gz BGSUSONJBZVHFQ-MRVPVSSYSA-N -1 3 389.431 3.892 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825193463 608270657 /nfs/dbraw/zinc/27/06/57/608270657.db2.gz LSKVNPHUPORYDT-QAPCUYQASA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825193463 608270658 /nfs/dbraw/zinc/27/06/58/608270658.db2.gz LSKVNPHUPORYDT-QAPCUYQASA-N -1 3 391.475 3.849 20 0 GHADHM CCN(C(=O)c1nc2ccccc2s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390706 608336392 /nfs/dbraw/zinc/33/63/92/608336392.db2.gz KVTPFPKKQPRWLU-LBPRGKRZSA-N -1 3 378.461 3.700 20 0 GHADHM CCN(C(=O)c1nc2ccccc2s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390706 608336394 /nfs/dbraw/zinc/33/63/94/608336394.db2.gz KVTPFPKKQPRWLU-LBPRGKRZSA-N -1 3 378.461 3.700 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1COC(C)(C)C ZINC000825626352 608340702 /nfs/dbraw/zinc/34/07/02/608340702.db2.gz KWHRTAWEYHLLOC-UHFFFAOYSA-N -1 3 395.463 3.833 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1COC(C)(C)C ZINC000825626352 608340703 /nfs/dbraw/zinc/34/07/03/608340703.db2.gz KWHRTAWEYHLLOC-UHFFFAOYSA-N -1 3 395.463 3.833 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381037 608342032 /nfs/dbraw/zinc/34/20/32/608342032.db2.gz YLFYJMOULIZIMM-UHFFFAOYSA-N -1 3 381.745 3.604 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381037 608342033 /nfs/dbraw/zinc/34/20/33/608342033.db2.gz YLFYJMOULIZIMM-UHFFFAOYSA-N -1 3 381.745 3.604 20 0 GHADHM CCOc1ccccc1CCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825654149 608342382 /nfs/dbraw/zinc/34/23/82/608342382.db2.gz POXPRHVZVHWADU-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCOc1ccccc1CCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825654149 608342383 /nfs/dbraw/zinc/34/23/83/608342383.db2.gz POXPRHVZVHWADU-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCN(C(=O)c1c(F)ccc(C)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377164 608345413 /nfs/dbraw/zinc/34/54/13/608345413.db2.gz VSHRRMWNIUBMFW-UHFFFAOYSA-N -1 3 377.782 3.773 20 0 GHADHM CCN(C(=O)c1c(F)ccc(C)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377164 608345415 /nfs/dbraw/zinc/34/54/15/608345415.db2.gz VSHRRMWNIUBMFW-UHFFFAOYSA-N -1 3 377.782 3.773 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(Cl)cccc1Cl ZINC000826172324 608346373 /nfs/dbraw/zinc/34/63/73/608346373.db2.gz ZJEGFOGBMSUFSC-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(Cl)cccc1Cl ZINC000826172324 608346375 /nfs/dbraw/zinc/34/63/75/608346375.db2.gz ZJEGFOGBMSUFSC-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC[C@@H]1C ZINC000824953293 608383801 /nfs/dbraw/zinc/38/38/01/608383801.db2.gz DRFNYFCSKHNKPF-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC[C@@H]1C ZINC000824953293 608383803 /nfs/dbraw/zinc/38/38/03/608383803.db2.gz DRFNYFCSKHNKPF-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000824237520 608425634 /nfs/dbraw/zinc/42/56/34/608425634.db2.gz SUBYDAPDCGJQQM-GOSISDBHSA-N -1 3 389.463 3.794 20 0 GHADHM CCOc1ccccc1[C@H](C)NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825654295 608436244 /nfs/dbraw/zinc/43/62/44/608436244.db2.gz VUHJLLTVOXABHC-LBPRGKRZSA-N -1 3 389.406 3.718 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000824347910 608459064 /nfs/dbraw/zinc/45/90/64/608459064.db2.gz SDEMTVPURDHLMI-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000824347910 608459066 /nfs/dbraw/zinc/45/90/66/608459066.db2.gz SDEMTVPURDHLMI-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825128468 608474743 /nfs/dbraw/zinc/47/47/43/608474743.db2.gz UZZNQGWEUGRAHJ-ZDUSSCGKSA-N -1 3 399.545 3.889 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825128468 608474744 /nfs/dbraw/zinc/47/47/44/608474744.db2.gz UZZNQGWEUGRAHJ-ZDUSSCGKSA-N -1 3 399.545 3.889 20 0 GHADHM CCOc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1C ZINC000825615853 608481322 /nfs/dbraw/zinc/48/13/22/608481322.db2.gz NHXFMEXQOCRFEL-UHFFFAOYSA-N -1 3 389.459 3.503 20 0 GHADHM CCOc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1C ZINC000825615853 608481324 /nfs/dbraw/zinc/48/13/24/608481324.db2.gz NHXFMEXQOCRFEL-UHFFFAOYSA-N -1 3 389.459 3.503 20 0 GHADHM C[C@@H](NCc1csc(Nc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625399 608482247 /nfs/dbraw/zinc/48/22/47/608482247.db2.gz HCKDIANXQBNWJI-CYBMUJFWSA-N -1 3 377.477 3.918 20 0 GHADHM C[C@@H](NCc1c(F)cccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824604401 608483531 /nfs/dbraw/zinc/48/35/31/608483531.db2.gz CFBDUQKLJZNRDE-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826305446 608486536 /nfs/dbraw/zinc/48/65/36/608486536.db2.gz WUEFWBQAGNQGQP-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826305446 608486537 /nfs/dbraw/zinc/48/65/37/608486537.db2.gz WUEFWBQAGNQGQP-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826283133 608491658 /nfs/dbraw/zinc/49/16/58/608491658.db2.gz LGNHSFQOQKIRQO-CQSZACIVSA-N -1 3 394.504 3.797 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826283133 608491659 /nfs/dbraw/zinc/49/16/59/608491659.db2.gz LGNHSFQOQKIRQO-CQSZACIVSA-N -1 3 394.504 3.797 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429382 608491970 /nfs/dbraw/zinc/49/19/70/608491970.db2.gz AYECVHGXBJBYEZ-UIAACRFSSA-N -1 3 392.507 3.634 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429382 608491971 /nfs/dbraw/zinc/49/19/71/608491971.db2.gz AYECVHGXBJBYEZ-UIAACRFSSA-N -1 3 392.507 3.634 20 0 GHADHM C[C@@H](NCc1nc2cc(C(F)(F)F)ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635087 608494122 /nfs/dbraw/zinc/49/41/22/608494122.db2.gz YPGPIWDFEKJEHD-SNVBAGLBSA-N -1 3 388.353 3.878 20 0 GHADHM CC(C)COC[C@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccco1 ZINC000824272507 608506536 /nfs/dbraw/zinc/50/65/36/608506536.db2.gz ZGDJDMYSNIDENJ-OALUTQOASA-N -1 3 381.480 3.841 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824874528 608545464 /nfs/dbraw/zinc/54/54/64/608545464.db2.gz DKXNAAPRKDRVDP-UKRRQHHQSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824874528 608545466 /nfs/dbraw/zinc/54/54/66/608545466.db2.gz DKXNAAPRKDRVDP-UKRRQHHQSA-N -1 3 392.415 3.570 20 0 GHADHM Fc1ccc(COC2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000826375006 608558407 /nfs/dbraw/zinc/55/84/07/608558407.db2.gz WCBBDSAFKSXSHU-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccc(COC2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000826375006 608558409 /nfs/dbraw/zinc/55/84/09/608558409.db2.gz WCBBDSAFKSXSHU-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccccc1COC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826378702 608558615 /nfs/dbraw/zinc/55/86/15/608558615.db2.gz WWAIWXHMSTUPPV-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccccc1COC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826378702 608558617 /nfs/dbraw/zinc/55/86/17/608558617.db2.gz WWAIWXHMSTUPPV-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3ccccc3-c3nnn[n-]3)cn2)cc1 ZINC000826368192 608568958 /nfs/dbraw/zinc/56/89/58/608568958.db2.gz GETUCTYJNNLTQE-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3ccccc3-c3nn[n-]n3)cn2)cc1 ZINC000826368192 608568960 /nfs/dbraw/zinc/56/89/60/608568960.db2.gz GETUCTYJNNLTQE-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1Cl ZINC000826351440 608675316 /nfs/dbraw/zinc/67/53/16/608675316.db2.gz MSSNTVRRKKIFLP-CQSZACIVSA-N -1 3 396.303 3.809 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3Cc3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000826372773 608714873 /nfs/dbraw/zinc/71/48/73/608714873.db2.gz LDOCPDBQDCKRTB-QGZVFWFLSA-N -1 3 395.467 3.795 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3Cc3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000826372773 608714877 /nfs/dbraw/zinc/71/48/77/608714877.db2.gz LDOCPDBQDCKRTB-QGZVFWFLSA-N -1 3 395.467 3.795 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)c1 ZINC000826368870 608735802 /nfs/dbraw/zinc/73/58/02/608735802.db2.gz DIUSFTZXMNLJAK-AWEZNQCLSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)c1 ZINC000826368870 608735804 /nfs/dbraw/zinc/73/58/04/608735804.db2.gz DIUSFTZXMNLJAK-AWEZNQCLSA-N -1 3 395.410 3.521 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826334949 608868314 /nfs/dbraw/zinc/86/83/14/608868314.db2.gz QIVVESUBGVDZOE-UHFFFAOYSA-N -1 3 397.845 3.825 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826334949 608868318 /nfs/dbraw/zinc/86/83/18/608868318.db2.gz QIVVESUBGVDZOE-UHFFFAOYSA-N -1 3 397.845 3.825 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c(F)c1 ZINC000824019729 609143341 /nfs/dbraw/zinc/14/33/41/609143341.db2.gz MPMHTZZSHNIZFF-UHFFFAOYSA-N -1 3 399.451 3.791 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c(F)c1 ZINC000824019729 609143342 /nfs/dbraw/zinc/14/33/42/609143342.db2.gz MPMHTZZSHNIZFF-UHFFFAOYSA-N -1 3 399.451 3.791 20 0 GHADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)nn1-c1ccc(C)cc1 ZINC000826281421 609145516 /nfs/dbraw/zinc/14/55/16/609145516.db2.gz QQQMLVREEOTSMS-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)nn1-c1ccc(C)cc1 ZINC000826281421 609145517 /nfs/dbraw/zinc/14/55/17/609145517.db2.gz QQQMLVREEOTSMS-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM C(=C\[C@@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)\c1ccccc1 ZINC000823862167 609150047 /nfs/dbraw/zinc/15/00/47/609150047.db2.gz ZHKOEZOQLDENLD-JZHDPFOFSA-N -1 3 399.458 3.595 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825782805 609152164 /nfs/dbraw/zinc/15/21/64/609152164.db2.gz QHHDWYKTWPDFAK-OLZOCXBDSA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825782805 609152166 /nfs/dbraw/zinc/15/21/66/609152166.db2.gz QHHDWYKTWPDFAK-OLZOCXBDSA-N -1 3 379.443 3.787 20 0 GHADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826181183 609158251 /nfs/dbraw/zinc/15/82/51/609158251.db2.gz ONRYMQYBXDUFOR-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826181183 609158252 /nfs/dbraw/zinc/15/82/52/609158252.db2.gz ONRYMQYBXDUFOR-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825074847 609162867 /nfs/dbraw/zinc/16/28/67/609162867.db2.gz KHBZIFMOIWBIRO-CABCVRRESA-N -1 3 394.479 3.662 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825074847 609162869 /nfs/dbraw/zinc/16/28/69/609162869.db2.gz KHBZIFMOIWBIRO-CABCVRRESA-N -1 3 394.479 3.662 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(F)c1 ZINC000824019816 609163928 /nfs/dbraw/zinc/16/39/28/609163928.db2.gz PIGJXWLUSVKHIL-UHFFFAOYSA-N -1 3 395.438 3.507 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c(F)c1 ZINC000824019816 609163929 /nfs/dbraw/zinc/16/39/29/609163929.db2.gz PIGJXWLUSVKHIL-UHFFFAOYSA-N -1 3 395.438 3.507 20 0 GHADHM CC(C)C[C@H](C)C[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824227743 609166699 /nfs/dbraw/zinc/16/66/99/609166699.db2.gz BCNRKWRWMPNVQF-HOTGVXAUSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)C[C@H](C)C[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824227743 609166700 /nfs/dbraw/zinc/16/67/00/609166700.db2.gz BCNRKWRWMPNVQF-HOTGVXAUSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)C[C@@H](C)C[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824227742 609167099 /nfs/dbraw/zinc/16/70/99/609167099.db2.gz BCNRKWRWMPNVQF-CVEARBPZSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)C[C@@H](C)C[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824227742 609167100 /nfs/dbraw/zinc/16/71/00/609167100.db2.gz BCNRKWRWMPNVQF-CVEARBPZSA-N -1 3 386.544 3.701 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825599189 609175737 /nfs/dbraw/zinc/17/57/37/609175737.db2.gz IXWAJMBKQFLJIB-AWEZNQCLSA-N -1 3 385.443 3.732 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825599189 609175739 /nfs/dbraw/zinc/17/57/39/609175739.db2.gz IXWAJMBKQFLJIB-AWEZNQCLSA-N -1 3 385.443 3.732 20 0 GHADHM Cc1noc(CCCNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000826339788 609178226 /nfs/dbraw/zinc/17/82/26/609178226.db2.gz UAEDJBFONZMLLC-UHFFFAOYSA-N -1 3 395.398 3.534 20 0 GHADHM Cc1noc(CCCNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000826339788 609178227 /nfs/dbraw/zinc/17/82/27/609178227.db2.gz UAEDJBFONZMLLC-UHFFFAOYSA-N -1 3 395.398 3.534 20 0 GHADHM CCC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000825242357 609204032 /nfs/dbraw/zinc/20/40/32/609204032.db2.gz PBSDFUQYCZQWFE-ZDUSSCGKSA-N -1 3 379.251 3.773 20 0 GHADHM CCC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000825242357 609204033 /nfs/dbraw/zinc/20/40/33/609204033.db2.gz PBSDFUQYCZQWFE-ZDUSSCGKSA-N -1 3 379.251 3.773 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662267 609273109 /nfs/dbraw/zinc/27/31/09/609273109.db2.gz GYLFKUULEYKUCY-GFCCVEGCSA-N -1 3 382.443 3.707 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662267 609273111 /nfs/dbraw/zinc/27/31/11/609273111.db2.gz GYLFKUULEYKUCY-GFCCVEGCSA-N -1 3 382.443 3.707 20 0 GHADHM CSc1cc2c(cc1N[C@@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)OCCO2 ZINC000826230489 609278763 /nfs/dbraw/zinc/27/87/63/609278763.db2.gz WLFRHCYLCIEEIN-JTQLQIEISA-N -1 3 387.440 3.672 20 0 GHADHM CSc1cc2c(cc1N[C@@H](C)c1ccc(-c3nn[n-]n3)c(F)c1)OCCO2 ZINC000826230489 609278764 /nfs/dbraw/zinc/27/87/64/609278764.db2.gz WLFRHCYLCIEEIN-JTQLQIEISA-N -1 3 387.440 3.672 20 0 GHADHM Fc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1Cl ZINC000826376924 609280898 /nfs/dbraw/zinc/28/08/98/609280898.db2.gz YIPUYFJJONNIFV-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000825323448 609281249 /nfs/dbraw/zinc/28/12/49/609281249.db2.gz WEOWPUOQNOAKHV-AWEZNQCLSA-N -1 3 376.464 3.729 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000825323448 609281250 /nfs/dbraw/zinc/28/12/50/609281250.db2.gz WEOWPUOQNOAKHV-AWEZNQCLSA-N -1 3 376.464 3.729 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824713955 609283031 /nfs/dbraw/zinc/28/30/31/609283031.db2.gz LOEKBDIBLYZENN-JTQLQIEISA-N -1 3 387.490 3.597 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824713955 609283033 /nfs/dbraw/zinc/28/30/33/609283033.db2.gz LOEKBDIBLYZENN-JTQLQIEISA-N -1 3 387.490 3.597 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826190252 609286837 /nfs/dbraw/zinc/28/68/37/609286837.db2.gz VLLUZDXGLISSHF-QGZVFWFLSA-N -1 3 383.839 3.506 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826190252 609286838 /nfs/dbraw/zinc/28/68/38/609286838.db2.gz VLLUZDXGLISSHF-QGZVFWFLSA-N -1 3 383.839 3.506 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826290645 609288482 /nfs/dbraw/zinc/28/84/82/609288482.db2.gz TVRHEDZJAWGPGR-UHFFFAOYSA-N -1 3 398.854 3.675 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826290645 609288484 /nfs/dbraw/zinc/28/84/84/609288484.db2.gz TVRHEDZJAWGPGR-UHFFFAOYSA-N -1 3 398.854 3.675 20 0 GHADHM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826440027 609290878 /nfs/dbraw/zinc/29/08/78/609290878.db2.gz VFRVKHDIHAYEQI-UHFFFAOYSA-N -1 3 395.772 3.511 20 0 GHADHM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826440027 609290880 /nfs/dbraw/zinc/29/08/80/609290880.db2.gz VFRVKHDIHAYEQI-UHFFFAOYSA-N -1 3 395.772 3.511 20 0 GHADHM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826363407 609297268 /nfs/dbraw/zinc/29/72/68/609297268.db2.gz KYJGXLDQQKYNRM-QGZVFWFLSA-N -1 3 384.871 3.616 20 0 GHADHM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826363407 609297270 /nfs/dbraw/zinc/29/72/70/609297270.db2.gz KYJGXLDQQKYNRM-QGZVFWFLSA-N -1 3 384.871 3.616 20 0 GHADHM Clc1ccc(C2=CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826351741 609297632 /nfs/dbraw/zinc/29/76/32/609297632.db2.gz YOLBWILHMSGIGT-UHFFFAOYSA-N -1 3 387.274 3.858 20 0 GHADHM FC(F)Oc1ccc([C@H](NCc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826369951 609298080 /nfs/dbraw/zinc/29/80/80/609298080.db2.gz WPJGDLZOYBIZGV-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccc([C@H](NCc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826369951 609298081 /nfs/dbraw/zinc/29/80/81/609298081.db2.gz WPJGDLZOYBIZGV-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454468 609298880 /nfs/dbraw/zinc/29/88/80/609298880.db2.gz XWHJZZUDPBTQNI-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454468 609298882 /nfs/dbraw/zinc/29/88/82/609298882.db2.gz XWHJZZUDPBTQNI-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826155037 609315102 /nfs/dbraw/zinc/31/51/02/609315102.db2.gz DOUDOEVXMZXWGU-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826155037 609315105 /nfs/dbraw/zinc/31/51/05/609315105.db2.gz DOUDOEVXMZXWGU-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826155564 609316615 /nfs/dbraw/zinc/31/66/15/609316615.db2.gz UTZAENSSGKWFFV-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826155564 609316616 /nfs/dbraw/zinc/31/66/16/609316616.db2.gz UTZAENSSGKWFFV-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM CSCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826228775 609320850 /nfs/dbraw/zinc/32/08/50/609320850.db2.gz ZQLCBIVFEFSHHL-UHFFFAOYSA-N -1 3 383.477 3.532 20 0 GHADHM CSCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826228775 609320852 /nfs/dbraw/zinc/32/08/52/609320852.db2.gz ZQLCBIVFEFSHHL-UHFFFAOYSA-N -1 3 383.477 3.532 20 0 GHADHM CCC(CC)[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000825108599 609321946 /nfs/dbraw/zinc/32/19/46/609321946.db2.gz XRIYDJJJPNBMIU-DGCLKSJQSA-N -1 3 384.406 3.676 20 0 GHADHM CCC(CC)[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000825108599 609321948 /nfs/dbraw/zinc/32/19/48/609321948.db2.gz XRIYDJJJPNBMIU-DGCLKSJQSA-N -1 3 384.406 3.676 20 0 GHADHM C[C@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824625737 609331313 /nfs/dbraw/zinc/33/13/13/609331313.db2.gz JPEGXBIAGMKQHP-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824625737 609331315 /nfs/dbraw/zinc/33/13/15/609331315.db2.gz JPEGXBIAGMKQHP-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826452499 609337572 /nfs/dbraw/zinc/33/75/72/609337572.db2.gz VQWOJVADOIFZNO-HNNXBMFYSA-N -1 3 390.369 3.552 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826452499 609337573 /nfs/dbraw/zinc/33/75/73/609337573.db2.gz VQWOJVADOIFZNO-HNNXBMFYSA-N -1 3 390.369 3.552 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000826452500 609337803 /nfs/dbraw/zinc/33/78/03/609337803.db2.gz VQWOJVADOIFZNO-OAHLLOKOSA-N -1 3 390.369 3.552 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000826452500 609337805 /nfs/dbraw/zinc/33/78/05/609337805.db2.gz VQWOJVADOIFZNO-OAHLLOKOSA-N -1 3 390.369 3.552 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825782850 609343047 /nfs/dbraw/zinc/34/30/47/609343047.db2.gz ROVPVNYHHSBPCU-STQMWFEESA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825782850 609343048 /nfs/dbraw/zinc/34/30/48/609343048.db2.gz ROVPVNYHHSBPCU-STQMWFEESA-N -1 3 379.443 3.787 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824657229 609347447 /nfs/dbraw/zinc/34/74/47/609347447.db2.gz PZKSANBFDJIPKS-SECBINFHSA-N -1 3 382.321 3.515 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824657229 609347449 /nfs/dbraw/zinc/34/74/49/609347449.db2.gz PZKSANBFDJIPKS-SECBINFHSA-N -1 3 382.321 3.515 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1cccc(F)c1F ZINC000824612324 609367680 /nfs/dbraw/zinc/36/76/80/609367680.db2.gz MZGZBMUHZNZIPZ-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(F)c1F ZINC000824612324 609367683 /nfs/dbraw/zinc/36/76/83/609367683.db2.gz MZGZBMUHZNZIPZ-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)C1 ZINC000824917109 609368109 /nfs/dbraw/zinc/36/81/09/609368109.db2.gz MAWZRQQWGABSEG-DIFFPNOSSA-N -1 3 376.917 3.729 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)C1 ZINC000824917109 609368112 /nfs/dbraw/zinc/36/81/12/609368112.db2.gz MAWZRQQWGABSEG-DIFFPNOSSA-N -1 3 376.917 3.729 20 0 GHADHM Cc1occc1CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826342743 609377968 /nfs/dbraw/zinc/37/79/68/609377968.db2.gz YBFRZIFBGCTLLT-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1occc1CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826342743 609377970 /nfs/dbraw/zinc/37/79/70/609377970.db2.gz YBFRZIFBGCTLLT-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM CC1(C)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000824808530 609378681 /nfs/dbraw/zinc/37/86/81/609378681.db2.gz USRRFDYSRAKNPY-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CC1(C)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000824808530 609378683 /nfs/dbraw/zinc/37/86/83/609378683.db2.gz USRRFDYSRAKNPY-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000825356632 609380919 /nfs/dbraw/zinc/38/09/19/609380919.db2.gz BMXNEICWBUFTPT-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000825356632 609380921 /nfs/dbraw/zinc/38/09/21/609380921.db2.gz BMXNEICWBUFTPT-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000824883243 609388198 /nfs/dbraw/zinc/38/81/98/609388198.db2.gz FVTQXADMJWWDJG-HUUCEWRRSA-N -1 3 378.432 3.506 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000824883243 609388201 /nfs/dbraw/zinc/38/82/01/609388201.db2.gz FVTQXADMJWWDJG-HUUCEWRRSA-N -1 3 378.432 3.506 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000826372150 609388705 /nfs/dbraw/zinc/38/87/05/609388705.db2.gz JTNZYMBSGBXXHC-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824952777 609401279 /nfs/dbraw/zinc/40/12/79/609401279.db2.gz ASNAVOIUPMBBRH-GUYCJALGSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824952777 609401280 /nfs/dbraw/zinc/40/12/80/609401280.db2.gz ASNAVOIUPMBBRH-GUYCJALGSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)C2)C1 ZINC000824919718 609405563 /nfs/dbraw/zinc/40/55/63/609405563.db2.gz XLUWIBVPQLAWOD-BBATYDOGSA-N -1 3 392.410 3.512 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)C2)C1 ZINC000824919718 609405565 /nfs/dbraw/zinc/40/55/65/609405565.db2.gz XLUWIBVPQLAWOD-BBATYDOGSA-N -1 3 392.410 3.512 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000826368954 609411047 /nfs/dbraw/zinc/41/10/47/609411047.db2.gz HNPHPIJGNYEBSD-CQSZACIVSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)n1ccnc1CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826370575 609453494 /nfs/dbraw/zinc/45/34/94/609453494.db2.gz ZFIXQZCLQXZLTK-UHFFFAOYSA-N -1 3 376.314 3.769 20 0 GHADHM FC(F)n1ccnc1CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826370575 609453497 /nfs/dbraw/zinc/45/34/97/609453497.db2.gz ZFIXQZCLQXZLTK-UHFFFAOYSA-N -1 3 376.314 3.769 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826271922 609454655 /nfs/dbraw/zinc/45/46/55/609454655.db2.gz MXNLGHGJKCNULD-AWEZNQCLSA-N -1 3 388.431 3.896 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826271922 609454659 /nfs/dbraw/zinc/45/46/59/609454659.db2.gz MXNLGHGJKCNULD-AWEZNQCLSA-N -1 3 388.431 3.896 20 0 GHADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1CC=CCC1 ZINC000826474541 609455234 /nfs/dbraw/zinc/45/52/34/609455234.db2.gz VBXXIXOMTZBTAW-UHFFFAOYSA-N -1 3 381.823 3.715 20 0 GHADHM CC[C@@H](C)Oc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC)ccc1OC ZINC000825075871 609480609 /nfs/dbraw/zinc/48/06/09/609480609.db2.gz RWFSZLAKYPUXAO-CYBMUJFWSA-N -1 3 383.452 3.673 20 0 GHADHM CC[C@@H](C)Oc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)ccc1OC ZINC000825075871 609480611 /nfs/dbraw/zinc/48/06/11/609480611.db2.gz RWFSZLAKYPUXAO-CYBMUJFWSA-N -1 3 383.452 3.673 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C(F)(F)F ZINC000826162510 609485714 /nfs/dbraw/zinc/48/57/14/609485714.db2.gz FQYZSZJQXKPTJK-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C(F)(F)F ZINC000826162510 609485717 /nfs/dbraw/zinc/48/57/17/609485717.db2.gz FQYZSZJQXKPTJK-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3cc[nH]c32)cc1-c1nnn[n-]1 ZINC000825553814 609490744 /nfs/dbraw/zinc/49/07/44/609490744.db2.gz XRNMHQBHRYMOFZ-UHFFFAOYSA-N -1 3 377.408 3.529 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC000825553814 609490746 /nfs/dbraw/zinc/49/07/46/609490746.db2.gz XRNMHQBHRYMOFZ-UHFFFAOYSA-N -1 3 377.408 3.529 20 0 GHADHM COCCCOc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000826157083 609491730 /nfs/dbraw/zinc/49/17/30/609491730.db2.gz HBUPGFXMGQBFSA-UHFFFAOYSA-N -1 3 397.479 3.681 20 0 GHADHM COCCCOc1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000826157083 609491733 /nfs/dbraw/zinc/49/17/33/609491733.db2.gz HBUPGFXMGQBFSA-UHFFFAOYSA-N -1 3 397.479 3.681 20 0 GHADHM CCOc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1OC ZINC000825615687 609492969 /nfs/dbraw/zinc/49/29/69/609492969.db2.gz GVUKZOFGZMBVOH-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CCOc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1OC ZINC000825615687 609492971 /nfs/dbraw/zinc/49/29/71/609492971.db2.gz GVUKZOFGZMBVOH-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826452330 609493364 /nfs/dbraw/zinc/49/33/64/609493364.db2.gz PPKWNESRWAZWJK-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826452330 609493367 /nfs/dbraw/zinc/49/33/67/609493367.db2.gz PPKWNESRWAZWJK-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM Cc1cc(C(=O)Nc2ccc3ccccc3c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260314 609504783 /nfs/dbraw/zinc/50/47/83/609504783.db2.gz HXHWDXQBGOZDOQ-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM Cc1cc(C(=O)Nc2ccc3ccccc3c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260314 609504784 /nfs/dbraw/zinc/50/47/84/609504784.db2.gz HXHWDXQBGOZDOQ-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1Cl ZINC000826468323 609505721 /nfs/dbraw/zinc/50/57/21/609505721.db2.gz LJNFIABBASULCP-UHFFFAOYSA-N -1 3 379.601 3.502 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1Cl ZINC000826468323 609505723 /nfs/dbraw/zinc/50/57/23/609505723.db2.gz LJNFIABBASULCP-UHFFFAOYSA-N -1 3 379.601 3.502 20 0 GHADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825285231 609525905 /nfs/dbraw/zinc/52/59/05/609525905.db2.gz NKKYMJWHRFNTTK-UHFFFAOYSA-N -1 3 391.884 3.516 20 0 GHADHM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825285231 609525907 /nfs/dbraw/zinc/52/59/07/609525907.db2.gz NKKYMJWHRFNTTK-UHFFFAOYSA-N -1 3 391.884 3.516 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCO1 ZINC000825184330 609529901 /nfs/dbraw/zinc/52/99/01/609529901.db2.gz SDOYGLNRSCJUSF-KBPBESRZSA-N -1 3 383.477 3.739 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCO1 ZINC000825184330 609529902 /nfs/dbraw/zinc/52/99/02/609529902.db2.gz SDOYGLNRSCJUSF-KBPBESRZSA-N -1 3 383.477 3.739 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000824314455 609538761 /nfs/dbraw/zinc/53/87/61/609538761.db2.gz AVSMFKZXLHLDMA-FPLPWBNLSA-N -1 3 385.374 3.584 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000824314455 609538763 /nfs/dbraw/zinc/53/87/63/609538763.db2.gz AVSMFKZXLHLDMA-FPLPWBNLSA-N -1 3 385.374 3.584 20 0 GHADHM Cc1ccnc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1-c1nnn[n-]1 ZINC000826310471 609551355 /nfs/dbraw/zinc/55/13/55/609551355.db2.gz WWIRJJSFHRDRAE-UHFFFAOYSA-N -1 3 377.427 3.575 20 0 GHADHM Cc1ccnc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1-c1nn[n-]n1 ZINC000826310471 609551358 /nfs/dbraw/zinc/55/13/58/609551358.db2.gz WWIRJJSFHRDRAE-UHFFFAOYSA-N -1 3 377.427 3.575 20 0 GHADHM Cc1cnc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c(C)c1 ZINC000826317633 609556450 /nfs/dbraw/zinc/55/64/50/609556450.db2.gz KAWRVSXPNAWQER-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cnc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c(C)c1 ZINC000826317633 609556451 /nfs/dbraw/zinc/55/64/51/609556451.db2.gz KAWRVSXPNAWQER-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826323112 609613498 /nfs/dbraw/zinc/61/34/98/609613498.db2.gz QSMCNZYXHIKYGD-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826323112 609613499 /nfs/dbraw/zinc/61/34/99/609613499.db2.gz QSMCNZYXHIKYGD-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826466344 609625745 /nfs/dbraw/zinc/62/57/45/609625745.db2.gz YGDOZPWNKUIDJM-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826466344 609625748 /nfs/dbraw/zinc/62/57/48/609625748.db2.gz YGDOZPWNKUIDJM-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000655653650 837543048 /nfs/dbraw/zinc/54/30/48/837543048.db2.gz UMYILXFNEXBHJX-SNVBAGLBSA-N -1 3 378.803 3.663 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000605589800 837747948 /nfs/dbraw/zinc/74/79/48/837747948.db2.gz RSNTXSWOSITIST-MGPLVRAMSA-N -1 3 375.824 3.673 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000605589807 837748069 /nfs/dbraw/zinc/74/80/69/837748069.db2.gz RSNTXSWOSITIST-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000613368792 837753669 /nfs/dbraw/zinc/75/36/69/837753669.db2.gz HAXHGNSQXPEMTE-MRXNPFEDSA-N -1 3 385.407 3.680 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)[n-]1 ZINC000617871548 834608339 /nfs/dbraw/zinc/60/83/39/834608339.db2.gz CGMOGYMYUHUZNI-UHFFFAOYSA-N -1 3 399.432 3.544 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c[n-]1 ZINC000617871548 834608344 /nfs/dbraw/zinc/60/83/44/834608344.db2.gz CGMOGYMYUHUZNI-UHFFFAOYSA-N -1 3 399.432 3.544 20 0 GHADHM C[C@H]1CN(CCC2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])CC2)C[C@H](C)O1 ZINC000156915429 834643434 /nfs/dbraw/zinc/64/34/34/834643434.db2.gz KBSPZUPVZFQISQ-KBPBESRZSA-N -1 3 398.906 3.536 20 0 GHADHM O=C(Nc1ccc2[nH]c(N3CCOCC3)nc2c1)c1cc([O-])c2ccccc2c1 ZINC000579778616 834651848 /nfs/dbraw/zinc/65/18/48/834651848.db2.gz SLZUVRFASGQHQU-UHFFFAOYSA-N -1 3 388.427 3.511 20 0 GHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000536086544 834752608 /nfs/dbraw/zinc/75/26/08/834752608.db2.gz QJKKLJNBIXOIGJ-LBPRGKRZSA-N -1 3 392.527 3.811 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000579797060 834776114 /nfs/dbraw/zinc/77/61/14/834776114.db2.gz FVUQWAYATOUSCM-FGZHOGPDSA-N -1 3 392.499 3.651 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000583635583 834781991 /nfs/dbraw/zinc/78/19/91/834781991.db2.gz NATKPUGENQDXTO-MIFYACCESA-N -1 3 384.480 3.873 20 0 GHADHM CC(C)C[C@@H](N)c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000583692937 834874144 /nfs/dbraw/zinc/87/41/44/834874144.db2.gz OROLVWXBYWOSJF-QGZVFWFLSA-N -1 3 386.477 3.583 20 0 GHADHM O=C(Cc1cccc(OC(F)F)c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715695 834895829 /nfs/dbraw/zinc/89/58/29/834895829.db2.gz SYUAXOSWMCEJBL-UHFFFAOYSA-N -1 3 379.313 3.559 20 0 GHADHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000431577984 834964304 /nfs/dbraw/zinc/96/43/04/834964304.db2.gz JFJUXZIFDXRBGG-HAQNSBGRSA-N -1 3 376.881 3.685 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000512970117 844037626 /nfs/dbraw/zinc/03/76/26/844037626.db2.gz OBAVWHRMBABXPE-HUUCEWRRSA-N -1 3 379.503 3.539 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683231039 835331709 /nfs/dbraw/zinc/33/17/09/835331709.db2.gz QVKHQYREUFHEMO-UHFFFAOYSA-N -1 3 394.321 3.607 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c(C)c1 ZINC000536182500 835364200 /nfs/dbraw/zinc/36/42/00/835364200.db2.gz HSJYBCQTJKFBTQ-UHFFFAOYSA-N -1 3 381.404 3.927 20 0 GHADHM Cc1ccc(-n2nnnc2SCc2cc(=O)oc3c(C)c([O-])ccc23)cc1C ZINC000021573949 835459949 /nfs/dbraw/zinc/45/99/49/835459949.db2.gz IFFAYQIZFXICIB-UHFFFAOYSA-N -1 3 394.456 3.692 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000151499884 835470946 /nfs/dbraw/zinc/47/09/46/835470946.db2.gz LARVOEZEQQLITK-HSZRJFAPSA-N -1 3 389.451 3.902 20 0 GHADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccccc1OCCn1ccnc1 ZINC000255583546 835518901 /nfs/dbraw/zinc/51/89/01/835518901.db2.gz PYRNNJVXFCULCD-ZROIWOOFSA-N -1 3 387.436 3.514 20 0 GHADHM Cn1cc(CCC(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000151597395 835578982 /nfs/dbraw/zinc/57/89/82/835578982.db2.gz ITTYMKSNOVBDDU-UHFFFAOYSA-N -1 3 387.277 3.895 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCCC1 ZINC000472311365 835652321 /nfs/dbraw/zinc/65/23/21/835652321.db2.gz ALTJROUXASFHOR-UHFFFAOYSA-N -1 3 396.372 3.694 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000151632451 835676916 /nfs/dbraw/zinc/67/69/16/835676916.db2.gz CXTVHYOHRFPRQS-WDEREUQCSA-N -1 3 382.204 3.853 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000151650768 835691111 /nfs/dbraw/zinc/69/11/11/835691111.db2.gz TVMYBBWVMCDOOG-CHWSQXEVSA-N -1 3 382.204 3.853 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4oc(=O)ccc4c3)cc(Cl)c2O1 ZINC000134454075 835730622 /nfs/dbraw/zinc/73/06/22/835730622.db2.gz NAMVUWAQZLDOHZ-JTQLQIEISA-N -1 3 391.832 3.571 20 0 GHADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@H]2CCCC[C@H]12 ZINC000429948957 844084438 /nfs/dbraw/zinc/08/44/38/844084438.db2.gz GDXVDZYPNRPLJQ-DFBGVHRSSA-N -1 3 377.286 3.561 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccco1 ZINC000584191134 835748839 /nfs/dbraw/zinc/74/88/39/835748839.db2.gz ICMABDVJELACIK-LJQANCHMSA-N -1 3 393.411 3.775 20 0 GHADHM COc1cccc2cc(CNC(=O)c3c[n-]c4c(Cl)cccc4c3=O)oc21 ZINC001143532014 844098185 /nfs/dbraw/zinc/09/81/85/844098185.db2.gz XGENCFFATVIWBA-UHFFFAOYSA-N -1 3 382.803 3.866 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000547739519 835896699 /nfs/dbraw/zinc/89/66/99/835896699.db2.gz GWIPWFIHSIRRHT-GXTWGEPZSA-N -1 3 388.777 3.762 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000109389276 835929321 /nfs/dbraw/zinc/92/93/21/835929321.db2.gz MGTBAMVWXNJMFI-CQSZACIVSA-N -1 3 391.320 3.948 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000135909897 835936238 /nfs/dbraw/zinc/93/62/38/835936238.db2.gz JOKSVBXWKIKSJM-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(CN4CCCC4)cc3)s2)cc1 ZINC000547757827 836093661 /nfs/dbraw/zinc/09/36/61/836093661.db2.gz HRWRBGJJQUUUJU-UHFFFAOYSA-N -1 3 392.528 3.707 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)c(C)o1 ZINC000429963539 844131068 /nfs/dbraw/zinc/13/10/68/844131068.db2.gz PSIYSNPANHMPAD-JTQLQIEISA-N -1 3 377.242 3.611 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1Cl ZINC000045743789 836170435 /nfs/dbraw/zinc/17/04/35/836170435.db2.gz ZFVPGAYWRKGEGW-CYBMUJFWSA-N -1 3 385.316 3.798 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC[C@@H]1O ZINC000509894662 844144733 /nfs/dbraw/zinc/14/47/33/844144733.db2.gz PPBUJXZMNWWLIH-KBPBESRZSA-N -1 3 385.835 3.578 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000570057588 836333912 /nfs/dbraw/zinc/33/39/12/836333912.db2.gz VQIMAMOKCYUDEL-SJLPKXTDSA-N -1 3 386.879 3.618 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc(C)c1F ZINC000174000017 836341419 /nfs/dbraw/zinc/34/14/19/836341419.db2.gz BURXNMMGGDPAEQ-UHFFFAOYSA-N -1 3 389.452 3.556 20 0 GHADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000174005140 836361102 /nfs/dbraw/zinc/36/11/02/836361102.db2.gz WEGMSALRCZQYTD-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)n1 ZINC000046067670 836537550 /nfs/dbraw/zinc/53/75/50/836537550.db2.gz BFXDBDVDISHJDT-UHFFFAOYSA-N -1 3 389.242 3.953 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)[C@H]2CCc3c2cccc3Cl)[n-]1 ZINC000155264287 836691016 /nfs/dbraw/zinc/69/10/16/836691016.db2.gz ZMLDZOZBYXXPBT-BUBHHJDNSA-N -1 3 376.787 3.791 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1CCCC1 ZINC000015593347 836695945 /nfs/dbraw/zinc/69/59/45/836695945.db2.gz UWLIGXFMMFYLCL-UHFFFAOYSA-N -1 3 376.453 3.607 20 0 GHADHM Cc1nn(-c2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cc2)c(C)c1Cl ZINC000636114998 836711859 /nfs/dbraw/zinc/71/18/59/836711859.db2.gz SOJUZVYDCXCTIP-UHFFFAOYSA-N -1 3 399.882 3.612 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c1 ZINC000430373839 836853135 /nfs/dbraw/zinc/85/31/35/836853135.db2.gz JMQGTYINJRQFGT-UHFFFAOYSA-N -1 3 395.864 3.641 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)CCc2cccs2)c(OC[C@@H]2CCCO2)c1 ZINC000685899671 836866602 /nfs/dbraw/zinc/86/66/02/836866602.db2.gz NCDDFVAGOIJDTQ-HNNXBMFYSA-N -1 3 381.519 3.599 20 0 GHADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000161023737 836893956 /nfs/dbraw/zinc/89/39/56/836893956.db2.gz BRORAJKHDAWRBY-YBHKSSGVSA-N -1 3 379.865 3.920 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000032809751 836941655 /nfs/dbraw/zinc/94/16/55/836941655.db2.gz XHYNQKXGQDCEKJ-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1cccc(Oc2ccccc2)c1 ZINC000612921989 836973316 /nfs/dbraw/zinc/97/33/16/836973316.db2.gz HLYLEJSMPZBPPI-UHFFFAOYSA-N -1 3 393.428 3.582 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)OCO2 ZINC000471307373 837184029 /nfs/dbraw/zinc/18/40/29/837184029.db2.gz WONADGFVWRNUFJ-LLVKDONJSA-N -1 3 377.393 3.649 20 0 GHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)c(F)cc1F ZINC001210114390 837317546 /nfs/dbraw/zinc/31/75/46/837317546.db2.gz WABPHNFEXHJMAD-UHFFFAOYSA-N -1 3 397.628 3.764 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)OC2CCCCCC2)cc1OC ZINC000471374950 837379329 /nfs/dbraw/zinc/37/93/29/837379329.db2.gz AMWGBBOAHLFIAE-CQSZACIVSA-N -1 3 398.525 3.523 20 0 GHADHM Cc1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)nc(C(F)(F)F)n1 ZINC000187674444 837884288 /nfs/dbraw/zinc/88/42/88/837884288.db2.gz WUSDTDYRYFPCMC-UHFFFAOYSA-N -1 3 397.357 3.638 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222073 837886888 /nfs/dbraw/zinc/88/68/88/837886888.db2.gz MSEMTGZRWABFTE-UHFFFAOYSA-N -1 3 384.885 3.828 20 0 GHADHM O=C(NCc1nc(-c2ccncc2)no1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177394256 837937245 /nfs/dbraw/zinc/93/72/45/837937245.db2.gz FHUNCMPAWRJBDR-UHFFFAOYSA-N -1 3 388.383 3.560 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000109875523 838081051 /nfs/dbraw/zinc/08/10/51/838081051.db2.gz YVNIZUNJPMNOFI-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000109875523 838081063 /nfs/dbraw/zinc/08/10/63/838081063.db2.gz YVNIZUNJPMNOFI-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)[C@@H]1CCCC[C@H]1O ZINC000547972763 838097918 /nfs/dbraw/zinc/09/79/18/838097918.db2.gz QXDOLQQZSWBUHV-HZPDHXFCSA-N -1 3 387.480 3.526 20 0 GHADHM CC(C)Cc1csc2[n-]c(CS(=O)(=O)c3ccc(Cl)cc3)nc(=O)c12 ZINC000046703278 838185616 /nfs/dbraw/zinc/18/56/16/838185616.db2.gz CGDRXFTYNRNZBV-UHFFFAOYSA-N -1 3 396.921 3.810 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000549378332 838202784 /nfs/dbraw/zinc/20/27/84/838202784.db2.gz RJYIKXHGPLYTKA-HNNXBMFYSA-N -1 3 391.480 3.800 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2s1 ZINC000178538638 838397168 /nfs/dbraw/zinc/39/71/68/838397168.db2.gz VQIAPJRLYSHSDY-NSHDSACASA-N -1 3 393.461 3.867 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)o1 ZINC000178551667 838405911 /nfs/dbraw/zinc/40/59/11/838405911.db2.gz SSDWOXWZSOBZRT-UHFFFAOYSA-N -1 3 378.287 3.575 20 0 GHADHM COc1c(Br)ccc(F)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000648353169 838433398 /nfs/dbraw/zinc/43/33/98/838433398.db2.gz DRIPMYSYIOCUSE-UHFFFAOYSA-N -1 3 397.248 3.946 20 0 GHADHM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000659795884 838679799 /nfs/dbraw/zinc/67/97/99/838679799.db2.gz KXMPNHKOYJROPK-CABCVRRESA-N -1 3 375.362 3.632 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2)c([O-])c1 ZINC000536337881 838693742 /nfs/dbraw/zinc/69/37/42/838693742.db2.gz VXZZYZHAOFMOIU-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)s1 ZINC000041760394 838743401 /nfs/dbraw/zinc/74/34/01/838743401.db2.gz MPTSCIQOXIIWOR-UHFFFAOYSA-N -1 3 396.398 3.733 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1csc(I)c1 ZINC000580057234 838782463 /nfs/dbraw/zinc/78/24/63/838782463.db2.gz CGSWFVTYIVTVSG-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM CCCCOc1cc(OCCC)ccc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893207939 838883629 /nfs/dbraw/zinc/88/36/29/838883629.db2.gz XZSKZBKEVBOXJE-UHFFFAOYSA-N -1 3 385.464 3.743 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416284960 838890518 /nfs/dbraw/zinc/89/05/18/838890518.db2.gz GNPVNDFZBSOOAH-RBUKOAKNSA-N -1 3 396.535 3.746 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416284961 838891236 /nfs/dbraw/zinc/89/12/36/838891236.db2.gz GNPVNDFZBSOOAH-RTBURBONSA-N -1 3 396.535 3.746 20 0 GHADHM O=C(NCCCC1CCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052338251 844378450 /nfs/dbraw/zinc/37/84/50/844378450.db2.gz NTXKEWVSWRNKEX-UHFFFAOYSA-N -1 3 393.484 3.655 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1F ZINC000046121070 838920922 /nfs/dbraw/zinc/92/09/22/838920922.db2.gz HHBBGXUIOCOUJX-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM CCCN(CCC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183295160 838921656 /nfs/dbraw/zinc/92/16/56/838921656.db2.gz BLTHAQBPLUSTLW-UHFFFAOYSA-N -1 3 375.494 3.601 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2F)ccc1F ZINC000046145896 838926942 /nfs/dbraw/zinc/92/69/42/838926942.db2.gz QCEAVBZMIFUQEA-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000893213984 838935096 /nfs/dbraw/zinc/93/50/96/838935096.db2.gz GXYIGWRPJJFTSB-UHFFFAOYSA-N -1 3 391.393 3.992 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000580140549 838951201 /nfs/dbraw/zinc/95/12/01/838951201.db2.gz XSAQXRDPHUJTML-UHFFFAOYSA-N -1 3 395.452 3.756 20 0 GHADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000377082346 838971149 /nfs/dbraw/zinc/97/11/49/838971149.db2.gz NAYAHVQUEBTALL-ZLGUVYLKSA-N -1 3 376.456 3.609 20 0 GHADHM CC(C)c1ccc(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C(C)C)c1 ZINC000472972622 838976288 /nfs/dbraw/zinc/97/62/88/838976288.db2.gz RXTZVHGEHGCXTN-GOSISDBHSA-N -1 3 384.480 3.507 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccncc1 ZINC000124583864 839115956 /nfs/dbraw/zinc/11/59/56/839115956.db2.gz PBRWPIOJVXZADU-AWEZNQCLSA-N -1 3 386.249 3.567 20 0 GHADHM Nc1ccc2c(I)nn(-c3cccc([O-])c3Cl)c2c1 ZINC001210854539 839123229 /nfs/dbraw/zinc/12/32/29/839123229.db2.gz CTHYEPWBYPKMCN-UHFFFAOYSA-N -1 3 385.592 3.571 20 0 GHADHM CCCCOc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(Cl)c1 ZINC000622739612 839312425 /nfs/dbraw/zinc/31/24/25/839312425.db2.gz RLOPEFXJJOSLSP-UHFFFAOYSA-N -1 3 377.872 3.988 20 0 GHADHM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000416560700 839418889 /nfs/dbraw/zinc/41/88/89/839418889.db2.gz LXUFQAYZLAYSCQ-UHFFFAOYSA-N -1 3 375.334 3.947 20 0 GHADHM CC(C)c1noc([C@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000053020674 839570174 /nfs/dbraw/zinc/57/01/74/839570174.db2.gz OYODDBKWVXRWRQ-LBPRGKRZSA-N -1 3 392.887 3.964 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c(C)c1C ZINC000571476953 844458996 /nfs/dbraw/zinc/45/89/96/844458996.db2.gz RTEXPIJLKVRBFX-UHFFFAOYSA-N -1 3 379.478 3.747 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc32)c1[O-] ZINC000580648505 839955899 /nfs/dbraw/zinc/95/58/99/839955899.db2.gz ATJJCXKQYHOACV-MRXNPFEDSA-N -1 3 396.472 3.515 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000580737971 840092334 /nfs/dbraw/zinc/09/23/34/840092334.db2.gz SYTKFYOZJHYQQG-UHFFFAOYSA-N -1 3 399.310 3.951 20 0 GHADHM O=c1cc(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)nc(C2CC2)[n-]1 ZINC000417041362 840390752 /nfs/dbraw/zinc/39/07/52/840390752.db2.gz XFPDXXAQQBLBLA-GFCCVEGCSA-N -1 3 375.856 3.740 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)cc1 ZINC000487342185 840538478 /nfs/dbraw/zinc/53/84/78/840538478.db2.gz WDMNXPBVWIMUFD-UHFFFAOYSA-N -1 3 391.493 3.674 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccccc1C(F)(F)F ZINC000028782205 840668640 /nfs/dbraw/zinc/66/86/40/840668640.db2.gz JYWUXGSTAAGVHQ-UHFFFAOYSA-N -1 3 379.743 3.888 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)cc2)CCO1 ZINC000780389618 840726244 /nfs/dbraw/zinc/72/62/44/840726244.db2.gz RGWIWOIVCPVVKZ-CYBMUJFWSA-N -1 3 382.432 3.650 20 0 GHADHM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cccc2n[n-]nc21 ZINC000187829677 840792130 /nfs/dbraw/zinc/79/21/30/840792130.db2.gz JGMLZAPVMXRPLD-UHFFFAOYSA-N -1 3 393.350 3.761 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(CC)cc3)c2)[n-]1 ZINC000432913728 844589175 /nfs/dbraw/zinc/58/91/75/844589175.db2.gz GEWZUHNXMHKTNR-UHFFFAOYSA-N -1 3 393.447 3.533 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(CC)cc3)c2)n[n-]1 ZINC000432913728 844589179 /nfs/dbraw/zinc/58/91/79/844589179.db2.gz GEWZUHNXMHKTNR-UHFFFAOYSA-N -1 3 393.447 3.533 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)CCCCCO)nc(=O)c3s2)cc1 ZINC000278839612 840910014 /nfs/dbraw/zinc/91/00/14/840910014.db2.gz JBVMJJCBCDAIMU-UHFFFAOYSA-N -1 3 387.505 3.667 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1OCC(F)F ZINC000417535295 840963471 /nfs/dbraw/zinc/96/34/71/840963471.db2.gz PBMCCXOCAUMTCM-SFHVURJKSA-N -1 3 395.402 3.572 20 0 GHADHM CC(C)=CCSC[C@H](NCc1cccc(F)c1Br)C(=O)[O-] ZINC000417622984 841061794 /nfs/dbraw/zinc/06/17/94/841061794.db2.gz ILPMIQCIGDFVGN-ZDUSSCGKSA-N -1 3 376.291 3.830 20 0 GHADHM COc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Br ZINC000417623721 841063545 /nfs/dbraw/zinc/06/35/45/841063545.db2.gz PNGGTWGQERRWAU-HOCLYGCPSA-N -1 3 376.250 3.861 20 0 GHADHM CC(C)n1cc(CN[C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cn1 ZINC000417637818 841087501 /nfs/dbraw/zinc/08/75/01/841087501.db2.gz IRRXDWSAOVYDEK-LRDDRELGSA-N -1 3 380.286 3.778 20 0 GHADHM C[C@@H]([C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-])C1CC1 ZINC000417639132 841090420 /nfs/dbraw/zinc/09/04/20/841090420.db2.gz LHFLYTTWWRGWMT-PIGZYNQJSA-N -1 3 380.897 3.964 20 0 GHADHM COc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cc1O ZINC000417642381 841094377 /nfs/dbraw/zinc/09/43/77/841094377.db2.gz VGBGDEIBUJAMKW-APPDUMDISA-N -1 3 394.265 3.715 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000473082700 841280773 /nfs/dbraw/zinc/28/07/73/841280773.db2.gz XQDQNWBUFGEXEY-DOTOQJQBSA-N -1 3 399.397 3.536 20 0 GHADHM COc1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000027236781 841362346 /nfs/dbraw/zinc/36/23/46/841362346.db2.gz YOJKNEBDYCFEDN-UHFFFAOYSA-N -1 3 397.258 3.864 20 0 GHADHM O=S(=O)([N-]CC1CCSCC1)c1cc(Br)ccc1Cl ZINC000500114616 841476778 /nfs/dbraw/zinc/47/67/78/841476778.db2.gz XPXNWRAVUYEDFS-UHFFFAOYSA-N -1 3 384.748 3.524 20 0 GHADHM Cc1coc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc12 ZINC000548176426 841481338 /nfs/dbraw/zinc/48/13/38/841481338.db2.gz HTKHMPFKWUHXEP-UHFFFAOYSA-N -1 3 393.443 3.873 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)n1 ZINC000049304301 841545063 /nfs/dbraw/zinc/54/50/63/841545063.db2.gz UGDNBTLLDNGFQK-UHFFFAOYSA-N -1 3 385.826 3.973 20 0 GHADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2F)cc1Cl ZINC000656619267 841574387 /nfs/dbraw/zinc/57/43/87/841574387.db2.gz LTVASBBJRKGNKC-UHFFFAOYSA-N -1 3 398.887 3.603 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129419797 841655480 /nfs/dbraw/zinc/65/54/80/841655480.db2.gz BQZGYBMHVUNTQX-SFHVURJKSA-N -1 3 378.403 3.511 20 0 GHADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430612341 841696653 /nfs/dbraw/zinc/69/66/53/841696653.db2.gz SBBFOUBDLLDBTH-RKDXNWHRSA-N -1 3 383.673 3.957 20 0 GHADHM O=C(N[C@@H](CC(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccccc1)c1ccc([O-])cc1 ZINC000184176753 841860282 /nfs/dbraw/zinc/86/02/82/841860282.db2.gz YQUVHLWGTWMVIJ-ZVDOUQERSA-N -1 3 378.472 3.512 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(F)F)ccc2C)cc1 ZINC000684356918 841865977 /nfs/dbraw/zinc/86/59/77/841865977.db2.gz YVWSEXFUNBKTBA-UHFFFAOYSA-N -1 3 398.431 3.788 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000599495465 861249437 /nfs/dbraw/zinc/24/94/37/861249437.db2.gz QMNQUNSCHSISGD-NRFANRHFSA-N -1 3 383.448 3.778 20 0 GHADHM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909370804 842025553 /nfs/dbraw/zinc/02/55/53/842025553.db2.gz DECPWFYZGHGUPE-WIYYLYMNSA-N -1 3 398.478 3.678 20 0 GHADHM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000156250224 842222901 /nfs/dbraw/zinc/22/29/01/842222901.db2.gz FANFVLVRTLQKHP-WDEREUQCSA-N -1 3 393.336 3.765 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2ncccc2c1 ZINC000520906770 842230072 /nfs/dbraw/zinc/23/00/72/842230072.db2.gz UQAQEZNGASWQDB-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C2CC2)CCC1 ZINC000184276644 842302184 /nfs/dbraw/zinc/30/21/84/842302184.db2.gz YWORYLQPBLTLRF-NRFANRHFSA-N -1 3 392.499 3.950 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CCC2(CC2(F)F)CC1 ZINC000661917073 842324576 /nfs/dbraw/zinc/32/45/76/842324576.db2.gz YGNSNDKRSUHQMS-UHFFFAOYSA-N -1 3 389.240 3.922 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000028020846 842356689 /nfs/dbraw/zinc/35/66/89/842356689.db2.gz NIPNMLXNUAOLMQ-UHFFFAOYSA-N -1 3 376.478 3.507 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CCc1ccccc1Cl)c1nc(C2CCCCC2)no1 ZINC000656921472 842403813 /nfs/dbraw/zinc/40/38/13/842403813.db2.gz BVYOOAYSIUTFAO-CYBMUJFWSA-N -1 3 397.928 3.994 20 0 GHADHM Cc1cscc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000487371550 842459072 /nfs/dbraw/zinc/45/90/72/842459072.db2.gz XURQLVDVFAUADB-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1cc(F)ccc1Cl ZINC000432273675 842470615 /nfs/dbraw/zinc/47/06/15/842470615.db2.gz CIRPKIIIKMOAAU-QGZVFWFLSA-N -1 3 383.872 3.661 20 0 GHADHM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000663119959 842514423 /nfs/dbraw/zinc/51/44/23/842514423.db2.gz RCXNLNUFIQTWRU-GOSISDBHSA-N -1 3 386.536 3.623 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000467801791 842580239 /nfs/dbraw/zinc/58/02/39/842580239.db2.gz WQYGWCUCRSQBPP-SJLPKXTDSA-N -1 3 383.872 3.986 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000247419053 842610131 /nfs/dbraw/zinc/61/01/31/842610131.db2.gz UORHZABCNLQGHT-WAOWUJCRSA-N -1 3 392.499 3.710 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)[nH][n-]1 ZINC000588926727 842748263 /nfs/dbraw/zinc/74/82/63/842748263.db2.gz CJIUZIQNQAGHHA-CYBMUJFWSA-N -1 3 385.851 3.875 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-c2ncon2)cc1 ZINC000178305560 861349830 /nfs/dbraw/zinc/34/98/30/861349830.db2.gz JXQBWYFXILXGHV-UHFFFAOYSA-N -1 3 389.209 3.526 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1SCc1cscn1 ZINC000247520250 842837335 /nfs/dbraw/zinc/83/73/35/842837335.db2.gz XEQYIBWLKTVIEN-UHFFFAOYSA-N -1 3 385.396 3.825 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1SCc1cscn1 ZINC000247520250 842837339 /nfs/dbraw/zinc/83/73/39/842837339.db2.gz XEQYIBWLKTVIEN-UHFFFAOYSA-N -1 3 385.396 3.825 20 0 GHADHM CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000254307837 842863521 /nfs/dbraw/zinc/86/35/21/842863521.db2.gz JPMVUNKYRXZMAD-UHFFFAOYSA-N -1 3 376.840 3.590 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Cc3cnc4ccccc4n3)cc2)n1 ZINC000549641498 842867434 /nfs/dbraw/zinc/86/74/34/842867434.db2.gz RFQVKCQMXCTRKV-CQSZACIVSA-N -1 3 399.454 3.506 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000663259613 842941206 /nfs/dbraw/zinc/94/12/06/842941206.db2.gz DTGXMIVGPXNBLJ-KZULUSFZSA-N -1 3 381.831 3.808 20 0 GHADHM COc1cccc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)c1[O-] ZINC000184873107 842972143 /nfs/dbraw/zinc/97/21/43/842972143.db2.gz JKMNCAGTEQBLLK-UHFFFAOYSA-N -1 3 387.823 3.769 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)c1[O-] ZINC000184855937 842977477 /nfs/dbraw/zinc/97/74/77/842977477.db2.gz VHONAQYHWWCPIY-UHFFFAOYSA-N -1 3 376.416 3.979 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3c([O-])cccc3F)c(C(F)(F)F)c2)CC1 ZINC000185795942 843030953 /nfs/dbraw/zinc/03/09/53/843030953.db2.gz SWDLANFBPPNONZ-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)c(F)c3)n2)cc1 ZINC000471877320 843180600 /nfs/dbraw/zinc/18/06/00/843180600.db2.gz MOWLQURFMKJNCZ-CYBMUJFWSA-N -1 3 389.452 3.786 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051467847 843190788 /nfs/dbraw/zinc/19/07/88/843190788.db2.gz GKWKLDJAVSNVIQ-DYESRHJHSA-N -1 3 382.460 3.591 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cnc2nccnc2c1 ZINC000432593865 843244198 /nfs/dbraw/zinc/24/41/98/843244198.db2.gz PLQJRNHCLRXKMP-OAHLLOKOSA-N -1 3 388.456 3.597 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)cc3C)n2)ccc1F ZINC000471893333 843296180 /nfs/dbraw/zinc/29/61/80/843296180.db2.gz QLDZZPKOOWLCMQ-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(F)c3C)n2)cc1F ZINC000471894056 843300044 /nfs/dbraw/zinc/30/00/44/843300044.db2.gz WLMSHNDSGPXOTA-GFCCVEGCSA-N -1 3 393.415 3.671 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1cc(C(F)(F)F)ccc1Br ZINC000549602351 843308299 /nfs/dbraw/zinc/30/82/99/843308299.db2.gz CHNBTWGOFNTKRO-VHSXEESVSA-N -1 3 390.196 3.637 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)cc1F ZINC000432647172 843354004 /nfs/dbraw/zinc/35/40/04/843354004.db2.gz RHZKMUFVUKLWMK-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COC(=O)c1cnc(SCc2cccc(Br)c2OC(F)F)[n-]1 ZINC000432669149 843392074 /nfs/dbraw/zinc/39/20/74/843392074.db2.gz KIADPMGJGIALEF-UHFFFAOYSA-N -1 3 393.209 3.853 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Br)c1F ZINC001211711290 843399991 /nfs/dbraw/zinc/39/99/91/843399991.db2.gz ZZMUESLATCTULT-WCQYABFASA-N -1 3 388.233 3.562 20 0 GHADHM CCOC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC000432675533 843432691 /nfs/dbraw/zinc/43/26/91/843432691.db2.gz BMEFNEVBYOAXRU-UHFFFAOYSA-N -1 3 379.434 3.854 20 0 GHADHM CCCCO[C@@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512347759 843487847 /nfs/dbraw/zinc/48/78/47/843487847.db2.gz LXWKATKYPBZHDI-JTQLQIEISA-N -1 3 384.249 3.544 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1cc(I)ccc1[O-] ZINC000610674183 843502372 /nfs/dbraw/zinc/50/23/72/843502372.db2.gz AKUCHKSBJFTIPF-NSHDSACASA-N -1 3 391.249 3.777 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)cc2)n1 ZINC000112800901 843623599 /nfs/dbraw/zinc/62/35/99/843623599.db2.gz OQIZIICQJVNOBX-SJORKVTESA-N -1 3 381.382 3.766 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc3ccccc3[nH]c2=O)[nH][n-]1 ZINC000512850682 843883439 /nfs/dbraw/zinc/88/34/39/843883439.db2.gz UPPDULQVYJBJAB-UHFFFAOYSA-N -1 3 394.818 3.667 20 0 GHADHM CCCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047297931 843973513 /nfs/dbraw/zinc/97/35/13/843973513.db2.gz PEKKQQKWIFEJSI-CYBMUJFWSA-N -1 3 381.473 3.653 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OC(F)F)c(F)c1 ZINC000481477215 861483695 /nfs/dbraw/zinc/48/36/95/861483695.db2.gz WEHZVFFBQHNMKP-UHFFFAOYSA-N -1 3 390.155 3.825 20 0 GHADHM COc1ccccc1C[C@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000277139968 844725749 /nfs/dbraw/zinc/72/57/49/844725749.db2.gz CAOVKEYAGXDEES-CQSZACIVSA-N -1 3 388.514 3.913 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1nc2c(s1)CCCC2 ZINC000481481458 861491006 /nfs/dbraw/zinc/49/10/06/861491006.db2.gz UWQUNOVQAZMRSG-UHFFFAOYSA-N -1 3 382.283 3.812 20 0 GHADHM O=C(COc1ccc(Br)cc1Cl)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647798860 844880967 /nfs/dbraw/zinc/88/09/67/844880967.db2.gz ONBUJXSYZSVMBP-UHFFFAOYSA-N -1 3 396.628 3.702 20 0 GHADHM O=C(CCN1C(=S)N=NC1c1cccs1)Nc1cc(Cl)ccc1[O-] ZINC000067145507 845043186 /nfs/dbraw/zinc/04/31/86/845043186.db2.gz ZZCQLRBWQUATCO-UHFFFAOYSA-N -1 3 380.882 3.683 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3ccccc3nc2C)cc1OC ZINC000512715076 845157078 /nfs/dbraw/zinc/15/70/78/845157078.db2.gz BFSFZUCABRRRNQ-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM Cc1[nH]c2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)c2c1C ZINC000645129588 845211124 /nfs/dbraw/zinc/21/11/24/845211124.db2.gz TXZKOTFQINBEDI-UHFFFAOYSA-N -1 3 399.882 3.789 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000181688331 845272192 /nfs/dbraw/zinc/27/21/92/845272192.db2.gz RYPLWOZDYQYLHI-AWEZNQCLSA-N -1 3 378.277 3.702 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OCc1c(C)noc1C ZINC000262723595 845496792 /nfs/dbraw/zinc/49/67/92/845496792.db2.gz XDQDWSCYLTVQDB-OAQYLSRUSA-N -1 3 396.443 3.795 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1sccc1F ZINC000555684655 861579371 /nfs/dbraw/zinc/57/93/71/861579371.db2.gz FSSNXYINSAPWIN-UHFFFAOYSA-N -1 3 384.205 3.853 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000513537223 845611095 /nfs/dbraw/zinc/61/10/95/845611095.db2.gz VVZXJUZMKUUWLR-ACJLOTCBSA-N -1 3 393.443 3.584 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Br)cc1-n1cncn1 ZINC000179457976 861588025 /nfs/dbraw/zinc/58/80/25/861588025.db2.gz IBVPQIJUMNXZPN-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM CO[C@@H](CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C1CCCC1 ZINC000657284655 845674377 /nfs/dbraw/zinc/67/43/77/845674377.db2.gz RQZPYPKIBKAKMM-KRWDZBQOSA-N -1 3 384.505 3.878 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1c(F)cncc1F ZINC000511030530 845738894 /nfs/dbraw/zinc/73/88/94/845738894.db2.gz NSUWXYGKBBGQGC-MRVPVSSYSA-N -1 3 381.231 3.847 20 0 GHADHM O=C(NCc1ccncc1)Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000511032402 845767702 /nfs/dbraw/zinc/76/77/02/845767702.db2.gz OZMFBQKKDYSZNB-UHFFFAOYSA-N -1 3 398.413 3.677 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071949414 845949778 /nfs/dbraw/zinc/94/97/78/845949778.db2.gz VMAGXFXRHCWLDI-UHFFFAOYSA-N -1 3 391.191 3.938 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071949414 845949783 /nfs/dbraw/zinc/94/97/83/845949783.db2.gz VMAGXFXRHCWLDI-UHFFFAOYSA-N -1 3 391.191 3.938 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000731456786 861653124 /nfs/dbraw/zinc/65/31/24/861653124.db2.gz GSJJDXDOSKBMSJ-GFCCVEGCSA-N -1 3 379.243 3.686 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC000094084649 846311083 /nfs/dbraw/zinc/31/10/83/846311083.db2.gz ZGBXNDYKCRABPJ-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179642269 861679660 /nfs/dbraw/zinc/67/96/60/861679660.db2.gz KNMONRILOUXGMF-FZKQIMNGSA-N -1 3 386.879 3.984 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccccc2F)C1)c1cnccc1C(F)(F)F ZINC000481563651 861693927 /nfs/dbraw/zinc/69/39/27/861693927.db2.gz DBZDSCOVGCNZMF-NEPJUHHUSA-N -1 3 388.386 3.854 20 0 GHADHM CCS(=O)(=O)CCCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419462818 846581302 /nfs/dbraw/zinc/58/13/02/846581302.db2.gz KBTAINPYLRREQS-UHFFFAOYSA-N -1 3 380.535 3.687 20 0 GHADHM CN(C[C@@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000563278453 846602887 /nfs/dbraw/zinc/60/28/87/846602887.db2.gz KCSBPJFSIIKUOO-PXAZEXFGSA-N -1 3 382.243 3.891 20 0 GHADHM COC(=O)c1ccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)C(F)(F)F)cc1 ZINC000501081573 846624897 /nfs/dbraw/zinc/62/48/97/846624897.db2.gz ANCLGBZQTRLRNH-CQSZACIVSA-N -1 3 387.741 3.866 20 0 GHADHM CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000026939248 846719556 /nfs/dbraw/zinc/71/95/56/846719556.db2.gz LAXNAHPQSOOIKO-UHFFFAOYSA-N -1 3 390.505 3.724 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccnc(Oc2ccccc2Cl)c1 ZINC000582257955 846724661 /nfs/dbraw/zinc/72/46/61/846724661.db2.gz VCYAZSOPCQOOJN-LLVKDONJSA-N -1 3 385.729 3.905 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC001211541531 846727353 /nfs/dbraw/zinc/72/73/53/846727353.db2.gz XDJAUYRKXZSHMZ-CABCVRRESA-N -1 3 385.501 3.886 20 0 GHADHM CCc1nnc([N-]C(=O)c2sc(-c3ccc(OC)cc3F)nc2C)s1 ZINC000503132276 846836320 /nfs/dbraw/zinc/83/63/20/846836320.db2.gz PTJMHBWBXBSBPY-UHFFFAOYSA-N -1 3 378.454 3.932 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(OC(C)C)nc3)cc2)cc(=O)[n-]1 ZINC000503139990 846839738 /nfs/dbraw/zinc/83/97/38/846839738.db2.gz KEUBQJHJJLQGPQ-UHFFFAOYSA-N -1 3 393.447 3.662 20 0 GHADHM COc1ccsc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481562208 861732357 /nfs/dbraw/zinc/73/23/57/861732357.db2.gz APJVEGKECDDRQN-UHFFFAOYSA-N -1 3 375.874 3.716 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000731600073 861752120 /nfs/dbraw/zinc/75/21/20/861752120.db2.gz SGROLNXMQNKKBI-OAHLLOKOSA-N -1 3 381.375 3.963 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000731628604 861771601 /nfs/dbraw/zinc/77/16/01/861771601.db2.gz DCCCOHXGDQKQQM-IBGZPJMESA-N -1 3 382.366 3.772 20 0 GHADHM Cc1ccc(-c2ccc(CN[C@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)s2)cc1 ZINC000414655533 847573666 /nfs/dbraw/zinc/57/36/66/847573666.db2.gz JSDIEVFRUAOAME-HKUYNNGSSA-N -1 3 386.517 3.523 20 0 GHADHM Cc1cccc(Oc2ccccc2NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000502207995 847590465 /nfs/dbraw/zinc/59/04/65/847590465.db2.gz HEGMYUONNWDEAF-UHFFFAOYSA-N -1 3 397.456 3.806 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc([O-])c(F)c1 ZINC000421035251 847635407 /nfs/dbraw/zinc/63/54/07/847635407.db2.gz LHXDKULSFOQAHN-INIZCTEOSA-N -1 3 388.439 3.610 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000503425796 847700186 /nfs/dbraw/zinc/70/01/86/847700186.db2.gz LZHKSNQXINEJNL-SJCJKPOMSA-N -1 3 395.912 3.624 20 0 GHADHM O=C(NCCOc1ccccc1-c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503469971 847723379 /nfs/dbraw/zinc/72/33/79/847723379.db2.gz ZYBKFAAFROAJFE-UHFFFAOYSA-N -1 3 376.391 3.573 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000158617147 847770719 /nfs/dbraw/zinc/77/07/19/847770719.db2.gz JXNLOGKPYVTQAZ-UHFFFAOYSA-N -1 3 388.309 3.522 20 0 GHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1)OC ZINC000421168145 847805343 /nfs/dbraw/zinc/80/53/43/847805343.db2.gz XFOZMSOQEQYKNV-LBPRGKRZSA-N -1 3 394.440 3.996 20 0 GHADHM COc1cccc(C2(c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)CCC2)c1 ZINC000582632228 847869191 /nfs/dbraw/zinc/86/91/91/847869191.db2.gz AVXNOIKDBDTDBC-UHFFFAOYSA-N -1 3 399.472 3.587 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1C ZINC000731782575 861887846 /nfs/dbraw/zinc/88/78/46/861887846.db2.gz ARMMVMYMSATIBX-UHFFFAOYSA-N -1 3 382.432 3.683 20 0 GHADHM [O-]c1c(F)cc(Nc2ncc(Br)nc2N2CCCCC2)cc1F ZINC001213373790 848399763 /nfs/dbraw/zinc/39/97/63/848399763.db2.gz ZHAQGANLYVTWCX-UHFFFAOYSA-N -1 3 385.212 3.957 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)cc1Cl ZINC000582834317 848515588 /nfs/dbraw/zinc/51/55/88/848515588.db2.gz GRCAFMDAKCKUIG-OLZOCXBDSA-N -1 3 388.892 3.542 20 0 GHADHM CC1(C)CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000511207499 848557553 /nfs/dbraw/zinc/55/75/53/848557553.db2.gz OHCLBPYWUAWKON-SFHVURJKSA-N -1 3 394.487 3.544 20 0 GHADHM C[C@@H]1C[C@H](C)[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000582991543 848833789 /nfs/dbraw/zinc/83/37/89/848833789.db2.gz URSIAVHXJGVDSG-YGOYTEALSA-N -1 3 390.241 3.770 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000731915732 861957585 /nfs/dbraw/zinc/95/75/85/861957585.db2.gz KWTBKLJWEJQHTR-CQSZACIVSA-N -1 3 378.384 3.764 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@H]2CCCCN2c2ccccc21 ZINC000583104385 849066868 /nfs/dbraw/zinc/06/68/68/849066868.db2.gz UMTJXEDAJNDPPL-CQSZACIVSA-N -1 3 395.409 3.826 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000583141443 849169790 /nfs/dbraw/zinc/16/97/90/849169790.db2.gz PYDCFNOAQWDTDD-HNNXBMFYSA-N -1 3 391.265 3.518 20 0 GHADHM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000634849941 849172402 /nfs/dbraw/zinc/17/24/02/849172402.db2.gz NRIYUEQQGJLVNK-NFBKMPQASA-N -1 3 386.536 3.676 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2)n1 ZINC000180175388 861995666 /nfs/dbraw/zinc/99/56/66/861995666.db2.gz LIJRTAHGTLWADY-UHFFFAOYSA-N -1 3 389.333 3.896 20 0 GHADHM Cc1c(NC(=O)NCc2ccc([O-])c(Br)c2)cccc1N(C)C ZINC000180176525 861995725 /nfs/dbraw/zinc/99/57/25/861995725.db2.gz KBNUXZKXMVKJBD-UHFFFAOYSA-N -1 3 378.270 3.851 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000535956866 849286373 /nfs/dbraw/zinc/28/63/73/849286373.db2.gz YMOOMUOUUFITHZ-ZBFHGGJFSA-N -1 3 390.480 3.793 20 0 GHADHM C[C@@H](c1ncc(-c2ccccc2)o1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155257277 849487888 /nfs/dbraw/zinc/48/78/88/849487888.db2.gz OMMWLJSUJKMFQP-FLESLCNUSA-N -1 3 397.378 3.866 20 0 GHADHM CCc1nnc(-c2cccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2)o1 ZINC000155542926 849551269 /nfs/dbraw/zinc/55/12/69/849551269.db2.gz WRHNYMZRVLSKHF-UHFFFAOYSA-N -1 3 392.390 3.840 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(c3ccc(F)cc3)C(C)C)nc(=O)c2c1C ZINC000504142447 849920973 /nfs/dbraw/zinc/92/09/73/849920973.db2.gz UJYDSASVLSKHFA-UHFFFAOYSA-N -1 3 389.452 3.634 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1C ZINC000504138122 849930433 /nfs/dbraw/zinc/93/04/33/849930433.db2.gz LHGRNSCCHCSHCS-UHFFFAOYSA-N -1 3 392.484 3.544 20 0 GHADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(CC4CCCCC4)s3)nn2)c1 ZINC000504601466 850168869 /nfs/dbraw/zinc/16/88/69/850168869.db2.gz LMPKNGKQGYFJPX-UHFFFAOYSA-N -1 3 382.493 3.802 20 0 GHADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510021091 850171110 /nfs/dbraw/zinc/17/11/10/850171110.db2.gz QKMQWEPPQWEZSZ-CYBMUJFWSA-N -1 3 387.851 3.680 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000908593368 850204267 /nfs/dbraw/zinc/20/42/67/850204267.db2.gz LLASQNSSQUVIGT-OAQYLSRUSA-N -1 3 396.487 3.627 20 0 GHADHM O=C([N-][C@H]1CCCN(Cc2c(F)cccc2F)C1)C(F)(F)c1ccc(F)cc1 ZINC000732139384 862104140 /nfs/dbraw/zinc/10/41/40/862104140.db2.gz SJLVKZLWJBSTLB-HNNXBMFYSA-N -1 3 398.375 3.977 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cc(F)ccc1Br ZINC000435215161 850221498 /nfs/dbraw/zinc/22/14/98/850221498.db2.gz VBLRUINIZLBGJR-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM O=C([O-])[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCCC1 ZINC000908750750 850315901 /nfs/dbraw/zinc/31/59/01/850315901.db2.gz HZJGRZPYNHPIAX-WMZOPIPTSA-N -1 3 393.553 3.608 20 0 GHADHM CCCCC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749051 850320999 /nfs/dbraw/zinc/32/09/99/850320999.db2.gz LWFAAVRJWFJDPR-IAGOWNOFSA-N -1 3 395.569 3.854 20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000424267391 850326659 /nfs/dbraw/zinc/32/66/59/850326659.db2.gz YFOKBZITDCFXGG-HXUWFJFHSA-N -1 3 380.488 3.939 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000514819203 850347201 /nfs/dbraw/zinc/34/72/01/850347201.db2.gz BDJGARJCVPSTEP-AWEZNQCLSA-N -1 3 375.387 3.834 20 0 GHADHM CCCCCC[C@](C)(NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884328 850451609 /nfs/dbraw/zinc/45/16/09/850451609.db2.gz KUHXJIYHBYYRRU-JLMWRMLUSA-N -1 3 389.540 3.935 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908898622 850464562 /nfs/dbraw/zinc/46/45/62/850464562.db2.gz MFOWICQYGSQYHS-RTWAWAEBSA-N -1 3 395.503 3.599 20 0 GHADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000487118520 850472442 /nfs/dbraw/zinc/47/24/42/850472442.db2.gz BCBNDYOYQFDUIW-NHYWBVRUSA-N -1 3 383.407 3.574 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)cc1 ZINC000435480830 850560477 /nfs/dbraw/zinc/56/04/77/850560477.db2.gz BCNIHZVJLWCFNA-UHFFFAOYSA-N -1 3 391.493 3.678 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000909095791 850569277 /nfs/dbraw/zinc/56/92/77/850569277.db2.gz XKKHZJWAHGTVPS-OPYAIIAOSA-N -1 3 395.503 3.507 20 0 GHADHM O=C([O-])c1cc2cc(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)ccc2s1 ZINC000909120048 850580142 /nfs/dbraw/zinc/58/01/42/850580142.db2.gz RYYVKONEBRUXDN-OAHLLOKOSA-N -1 3 395.484 3.845 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(c2ccc(Br)cc2)C2CC2)c(=O)[n-]1 ZINC000519104149 850630818 /nfs/dbraw/zinc/63/08/18/850630818.db2.gz BSADZCXNYSAOEI-UHFFFAOYSA-N -1 3 390.281 3.690 20 0 GHADHM COc1cc(C(=O)NCC(C)(C)c2c(F)cccc2Cl)cc(OC)c1[O-] ZINC000487323380 850677898 /nfs/dbraw/zinc/67/78/98/850677898.db2.gz RAJTULKPZCAFLE-UHFFFAOYSA-N -1 3 381.831 3.910 20 0 GHADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000515112805 850690509 /nfs/dbraw/zinc/69/05/09/850690509.db2.gz RFLGCSOLOSPZDD-SFHVURJKSA-N -1 3 393.516 3.586 20 0 GHADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000515112804 850690870 /nfs/dbraw/zinc/69/08/70/850690870.db2.gz RFLGCSOLOSPZDD-GOSISDBHSA-N -1 3 393.516 3.586 20 0 GHADHM CCC1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])CC1 ZINC000909318044 850691031 /nfs/dbraw/zinc/69/10/31/850691031.db2.gz RJGJQLHIGMCMEE-OJCRERRGSA-N -1 3 390.499 3.578 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1F ZINC000435607897 850695033 /nfs/dbraw/zinc/69/50/33/850695033.db2.gz RIZLKVGDCSEZIZ-RISCZKNCSA-N -1 3 389.370 3.709 20 0 GHADHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000909722897 850729556 /nfs/dbraw/zinc/72/95/56/850729556.db2.gz DLMSJPITCPBLFH-WMZOPIPTSA-N -1 3 378.900 3.580 20 0 GHADHM CCCCCCN(C)CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909757368 850776933 /nfs/dbraw/zinc/77/69/33/850776933.db2.gz WPRGHLKXWYNWIP-SFHVURJKSA-N -1 3 389.323 3.922 20 0 GHADHM COc1ccc(C2(CNC(=O)c3nnc4ccccc4c3[O-])CCCCC2)cc1 ZINC000732277334 862172516 /nfs/dbraw/zinc/17/25/16/862172516.db2.gz GAETVWISJUXNEA-UHFFFAOYSA-N -1 3 391.471 3.976 20 0 GHADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000732279986 862173692 /nfs/dbraw/zinc/17/36/92/862173692.db2.gz VINXFWLMYRGZAR-IIBYNOLFSA-N -1 3 377.444 3.575 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2)C[C@@H](C)O1 ZINC000909974037 850877654 /nfs/dbraw/zinc/87/76/54/850877654.db2.gz DEDGOBMWUJLRIG-CHWSQXEVSA-N -1 3 376.403 3.532 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c(C)o1 ZINC000434236814 850916648 /nfs/dbraw/zinc/91/66/48/850916648.db2.gz MNEIZBVHJSELNV-MRXNPFEDSA-N -1 3 396.484 3.543 20 0 GHADHM CC[C@@H](c1n[n-]c(=NC(=O)N(CCN(C)C)CC(C)C)s1)c1ccccc1 ZINC000443914506 862185404 /nfs/dbraw/zinc/18/54/04/862185404.db2.gz GCQAABZVKMHQOR-QGZVFWFLSA-N -1 3 389.569 3.553 20 0 GHADHM CCSc1nnc([N-]C(=O)c2sc(-c3c(C)noc3C)nc2C)s1 ZINC000515365807 850952649 /nfs/dbraw/zinc/95/26/49/850952649.db2.gz JSNFNKVEHSGZAY-UHFFFAOYSA-N -1 3 381.508 3.939 20 0 GHADHM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000910103648 851001125 /nfs/dbraw/zinc/00/11/25/851001125.db2.gz SDDXWQREZJQGCM-LEWJYISDSA-N -1 3 378.472 3.713 20 0 GHADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)c(F)c3)ccc2O1 ZINC000440294556 851012798 /nfs/dbraw/zinc/01/27/98/851012798.db2.gz HPPYHFJDVIIVBK-UHFFFAOYSA-N -1 3 387.379 3.941 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1cnc(CCC(F)(F)F)s1 ZINC000910146741 851039407 /nfs/dbraw/zinc/03/94/07/851039407.db2.gz OECNJLJHWIYYJC-UHFFFAOYSA-N -1 3 399.350 3.751 20 0 GHADHM O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)ccc12 ZINC000910197680 851042323 /nfs/dbraw/zinc/04/23/23/851042323.db2.gz MJNFJBNKGKVMDU-OAHLLOKOSA-N -1 3 395.434 3.856 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@]2(C)C[C@H]2F)cc1 ZINC000425444970 851106540 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O=C(CCCOc1cccc(Cl)c1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473845336 852252186 /nfs/dbraw/zinc/25/21/86/852252186.db2.gz VOYNLRFVOQURPE-ZDUSSCGKSA-N -1 3 384.263 3.788 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1(F)CCC1 ZINC000436733375 852274690 /nfs/dbraw/zinc/27/46/90/852274690.db2.gz HKZUIENQGZUSNG-LJQANCHMSA-N -1 3 384.451 3.652 20 0 GHADHM COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1NC(=O)c1cccnc1 ZINC000436760035 852279566 /nfs/dbraw/zinc/27/95/66/852279566.db2.gz KUZYDURMMHUUOC-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c([O-])c1 ZINC000436745255 852285332 /nfs/dbraw/zinc/28/53/32/852285332.db2.gz BEUOQLXUJLYOAW-UHFFFAOYSA-N -1 3 381.259 3.670 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c([O-])c1 ZINC000436748161 852287166 /nfs/dbraw/zinc/28/71/66/852287166.db2.gz QXTDSICNDDYLKQ-UHFFFAOYSA-N -1 3 380.419 3.864 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)c([O-])c2O1 ZINC000436775639 852308995 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Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC[C@@H](C)F)c2)cc1 ZINC000506935086 852363471 /nfs/dbraw/zinc/36/34/71/852363471.db2.gz QUOCCWFETCBXQL-OAHLLOKOSA-N -1 3 378.469 3.582 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(SC)cc1OC ZINC000426757302 852364518 /nfs/dbraw/zinc/36/45/18/852364518.db2.gz OMIULQIOFOQCOB-IBGZPJMESA-N -1 3 375.490 3.958 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000426808074 852396091 /nfs/dbraw/zinc/39/60/91/852396091.db2.gz QFQWOQYEJPUQMG-NRFANRHFSA-N -1 3 396.418 3.724 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489490104 852398414 /nfs/dbraw/zinc/39/84/14/852398414.db2.gz WHLMCEZUBQTBCH-MRVPVSSYSA-N -1 3 384.376 3.610 20 0 GHADHM Cc1ccccc1-n1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)nn1 ZINC001126481112 852406806 /nfs/dbraw/zinc/40/68/06/852406806.db2.gz BZJPXWIGCYVCDU-UHFFFAOYSA-N -1 3 393.191 3.869 20 0 GHADHM COCc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426808745 852418516 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CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000436951509 852541613 /nfs/dbraw/zinc/54/16/13/852541613.db2.gz SKHIJDDUFQANSR-GOSISDBHSA-N -1 3 379.416 3.822 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000436960981 852550971 /nfs/dbraw/zinc/55/09/71/852550971.db2.gz LGELHSSWPYLCMI-HUUCEWRRSA-N -1 3 385.464 3.886 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)cc2cccnc21 ZINC000436976917 852564173 /nfs/dbraw/zinc/56/41/73/852564173.db2.gz CPPPCTDYUGIWSU-UHFFFAOYSA-N -1 3 383.770 3.770 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000436983073 852570951 /nfs/dbraw/zinc/57/09/51/852570951.db2.gz BYGWOMGTKDYEBF-PTFIGZPYSA-N -1 3 375.490 3.800 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)c([O-])c1 ZINC000436983520 852592129 /nfs/dbraw/zinc/59/21/29/852592129.db2.gz CNGZMQRALFYSHC-LJQANCHMSA-N -1 3 382.460 3.799 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436985423 852593029 /nfs/dbraw/zinc/59/30/29/852593029.db2.gz CIOMGNXWSGEICM-ZFWWWQNUSA-N -1 3 387.505 3.599 20 0 GHADHM CS(=O)(=O)Nc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000437000984 852616499 /nfs/dbraw/zinc/61/64/99/852616499.db2.gz UVOASDDUFKYCBG-UHFFFAOYSA-N -1 3 381.413 3.634 20 0 GHADHM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000437000607 852617557 /nfs/dbraw/zinc/61/75/57/852617557.db2.gz IWLOFNWLILXQBS-UXHICEINSA-N -1 3 392.499 3.504 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000507272753 852740635 /nfs/dbraw/zinc/74/06/35/852740635.db2.gz MVWJFMYXUQZALO-UKRRQHHQSA-N -1 3 382.888 3.593 20 0 GHADHM CN(CC(=O)Nc1ccc(Br)cc1[O-])c1nc2ccccc2s1 ZINC000516597290 852780914 /nfs/dbraw/zinc/78/09/14/852780914.db2.gz CLBVFCZZMRWUCI-UHFFFAOYSA-N -1 3 392.278 3.839 20 0 GHADHM COc1ccccc1[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)N1CCCCC1 ZINC000438778220 852842076 /nfs/dbraw/zinc/84/20/76/852842076.db2.gz ZCCLPWJWKCYFEU-MRXNPFEDSA-N -1 3 390.430 3.636 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCCC4)cs2)no1 ZINC000438795421 852872806 /nfs/dbraw/zinc/87/28/06/852872806.db2.gz UXXOIIXGRFDKND-UHFFFAOYSA-N -1 3 383.429 3.716 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000427216679 852873189 /nfs/dbraw/zinc/87/31/89/852873189.db2.gz FINAPYOGCXTBFL-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000912996831 852978395 /nfs/dbraw/zinc/97/83/95/852978395.db2.gz IOULGIPXTFWVKV-CMDGGOBGSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000912996831 852978403 /nfs/dbraw/zinc/97/84/03/852978403.db2.gz IOULGIPXTFWVKV-CMDGGOBGSA-N -1 3 376.807 3.720 20 0 GHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)[n-]c1-c1ccccc1 ZINC000490480063 853034474 /nfs/dbraw/zinc/03/44/74/853034474.db2.gz ZZCHWBHXKFUQBV-UHFFFAOYSA-N -1 3 397.500 3.921 20 0 GHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000490480063 853034479 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CCOC(=O)c1ccc(NC(=O)c2cccc(F)c2Br)c([O-])c1 ZINC000490788971 853261758 /nfs/dbraw/zinc/26/17/58/853261758.db2.gz CQPIQLXEDISCBK-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000518374086 853271934 /nfs/dbraw/zinc/27/19/34/853271934.db2.gz SIQCXCRLANNCTR-OLMNPRSZSA-N -1 3 386.879 3.776 20 0 GHADHM Cc1noc(C2CCN(Cc3c(C(=O)[O-])sc4cccc(F)c43)CC2)n1 ZINC000519757226 853467397 /nfs/dbraw/zinc/46/73/97/853467397.db2.gz BICFWHFLJVTALR-UHFFFAOYSA-N -1 3 375.425 3.810 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cn(-c3ccccc3)nn2)s1)c1ccccc1 ZINC000518564773 853496190 /nfs/dbraw/zinc/49/61/90/853496190.db2.gz NIVPKYNHAKOEBI-MRXNPFEDSA-N -1 3 390.472 3.913 20 0 GHADHM CCOC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000546068572 853506552 /nfs/dbraw/zinc/50/65/52/853506552.db2.gz AMFFPQLBEVRQAO-UHFFFAOYSA-N -1 3 379.434 3.854 20 0 GHADHM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000586751847 853522481 /nfs/dbraw/zinc/52/24/81/853522481.db2.gz CJAYQLCRHCYHAI-UHFFFAOYSA-N -1 3 394.515 3.750 20 0 GHADHM Cc1ccc([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000437837748 853598534 /nfs/dbraw/zinc/59/85/34/853598534.db2.gz FICBFFOIAYCIAI-MGPUTAFESA-N -1 3 389.517 3.728 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000519997743 853737138 /nfs/dbraw/zinc/73/71/38/853737138.db2.gz FLVYTSXAWVCVMD-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c(F)cc1Br ZINC000416398608 853826323 /nfs/dbraw/zinc/82/63/23/853826323.db2.gz MZSTZHUIYXJQSK-UHFFFAOYSA-N -1 3 393.303 3.567 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2cc(Cl)cc3cccnc32)cc1OC ZINC000732806566 862504914 /nfs/dbraw/zinc/50/49/14/862504914.db2.gz PKTAJJCGRALQPY-UHFFFAOYSA-N -1 3 386.835 3.696 20 0 GHADHM O=C([N-]NC(=O)c1cc(Cl)cc2cccnc21)c1ccc2ccccc2n1 ZINC000055404567 853905316 /nfs/dbraw/zinc/90/53/16/853905316.db2.gz AHNSKRSGMUTDJX-UHFFFAOYSA-N -1 3 376.803 3.511 20 0 GHADHM Cn1c2ccccc2nc1[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000571619409 853964497 /nfs/dbraw/zinc/96/44/97/853964497.db2.gz BDLJKABAGDWLFD-NRFANRHFSA-N -1 3 385.471 3.826 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])CC2)cc1 ZINC000044971757 853975989 /nfs/dbraw/zinc/97/59/89/853975989.db2.gz RVADBAYHFYZQQL-NRFANRHFSA-N -1 3 390.483 3.621 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccnc1SCC1CCCCC1 ZINC000481908286 862523879 /nfs/dbraw/zinc/52/38/79/862523879.db2.gz FAWAZAKSCRSVMH-UHFFFAOYSA-N -1 3 399.442 3.821 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000055663500 854050606 /nfs/dbraw/zinc/05/06/06/854050606.db2.gz AMGXFQHTARLRIP-UHFFFAOYSA-N -1 3 382.844 3.715 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC2(CCCCC2)CC1 ZINC000588137426 854138538 /nfs/dbraw/zinc/13/85/38/854138538.db2.gz LZNQHFNYSKEWQK-UHFFFAOYSA-N -1 3 394.519 3.646 20 0 GHADHM C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000481937483 862542161 /nfs/dbraw/zinc/54/21/61/862542161.db2.gz ZPYUMZWYIHUHPK-MRVPVSSYSA-N -1 3 380.292 3.652 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)c(C)c1 ZINC000050534284 854261287 /nfs/dbraw/zinc/26/12/87/854261287.db2.gz WANCKDKKMCEIKR-UHFFFAOYSA-N -1 3 386.517 3.925 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1F ZINC000056034845 854300316 /nfs/dbraw/zinc/30/03/16/854300316.db2.gz DTTDFUAHSGNPGE-KRWDZBQOSA-N -1 3 396.528 3.697 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1C ZINC000588634506 854320975 /nfs/dbraw/zinc/32/09/75/854320975.db2.gz YHEPVOAXKBYESI-UHFFFAOYSA-N -1 3 398.488 3.775 20 0 GHADHM O=c1[n-]c(CSc2nccn2Cc2ccccn2)nc2c3ccccc3oc21 ZINC000112773324 854333354 /nfs/dbraw/zinc/33/33/54/854333354.db2.gz JIBJYDBAMMKDMM-UHFFFAOYSA-N -1 3 389.440 3.601 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cnn(Cc3ccccc3)c2)sc1Cl ZINC000473955693 854411851 /nfs/dbraw/zinc/41/18/51/854411851.db2.gz HZHDHXWUONAEDX-ZDUSSCGKSA-N -1 3 395.937 3.994 20 0 GHADHM O=C(N[C@H]1CCc2sc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000572211966 854442873 /nfs/dbraw/zinc/44/28/73/854442873.db2.gz NFTNLXNXLSGHDZ-KBPBESRZSA-N -1 3 390.892 3.515 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3nc(C(C)(C)C)cs3)nc2)n1 ZINC000068701851 854611928 /nfs/dbraw/zinc/61/19/28/854611928.db2.gz WVJVCDGLVCRGNF-UHFFFAOYSA-N -1 3 383.521 3.803 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](C4CC4)C3)nc(=O)c2c1C ZINC000588978338 854624099 /nfs/dbraw/zinc/62/40/99/854624099.db2.gz UYVUFLNUCBIPHG-TZMCWYRMSA-N -1 3 389.521 3.653 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000070766243 854713675 /nfs/dbraw/zinc/71/36/75/854713675.db2.gz VHUGJQZSHLTPID-UHFFFAOYSA-N -1 3 375.837 3.771 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)s1 ZINC000051464083 854718239 /nfs/dbraw/zinc/71/82/39/854718239.db2.gz MTVKZRJERVJOBG-UHFFFAOYSA-N -1 3 386.517 3.920 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccc(C)cc4)n3)cs2)n1C ZINC000536313071 854737182 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C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000064952675 857756811 /nfs/dbraw/zinc/75/68/11/857756811.db2.gz BRLOKDFZKLBXGF-SECBINFHSA-N -1 3 378.288 3.559 20 0 GHADHM CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000594021791 857840756 /nfs/dbraw/zinc/84/07/56/857840756.db2.gz PCJXEUSTAVERCN-VIFPVBQESA-N -1 3 375.313 3.649 20 0 GHADHM Cc1ccc(OCc2ccccc2)c(NC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000442458757 857864729 /nfs/dbraw/zinc/86/47/29/857864729.db2.gz IDFZOULDDLBKNH-UHFFFAOYSA-N -1 3 378.432 3.700 20 0 GHADHM O=c1nc(CN2CCC[C@H](n3ccnc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000676476981 857898049 /nfs/dbraw/zinc/89/80/49/857898049.db2.gz DFPVLLBERAYUON-ZDUSSCGKSA-N -1 3 381.461 3.691 20 0 GHADHM CCCCOC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000486642116 857934483 /nfs/dbraw/zinc/93/44/83/857934483.db2.gz SDTHNXKYGMNFPG-UHFFFAOYSA-N -1 3 385.302 3.645 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000486658677 857938121 /nfs/dbraw/zinc/93/81/21/857938121.db2.gz PTDDPIRJYIBVIM-CQSZACIVSA-N -1 3 393.256 3.993 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n1 ZINC000114313539 857978070 /nfs/dbraw/zinc/97/80/70/857978070.db2.gz CPAXLSCRKZFOJL-UHFFFAOYSA-N -1 3 397.815 3.550 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c1Cl ZINC000760605861 857980748 /nfs/dbraw/zinc/98/07/48/857980748.db2.gz DBOFGJSOGIBTQC-UHFFFAOYSA-N -1 3 379.696 3.871 20 0 GHADHM Cc1ccncc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000078507236 858069760 /nfs/dbraw/zinc/06/97/60/858069760.db2.gz WNBSUNWHEBZNRW-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C12CCCCC2 ZINC000442751588 858110236 /nfs/dbraw/zinc/11/02/36/858110236.db2.gz CIHQVTFYQIBMKH-GJZGRUSLSA-N -1 3 392.443 3.507 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ccccc2c1)c1cnccc1C(F)(F)F ZINC000442808944 858151874 /nfs/dbraw/zinc/15/18/74/858151874.db2.gz JBBFVWDSNDYHMQ-UHFFFAOYSA-N -1 3 380.391 3.775 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ncc(-c2ccccc2)o1 ZINC000151560747 858196165 /nfs/dbraw/zinc/19/61/65/858196165.db2.gz TUSVILDNRGBECH-OAHLLOKOSA-N -1 3 394.456 3.567 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)c1 ZINC000594703966 858259957 /nfs/dbraw/zinc/25/99/57/858259957.db2.gz GUDPARAGUGNWFS-LLVKDONJSA-N -1 3 399.415 3.730 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)s1 ZINC000521767940 858312918 /nfs/dbraw/zinc/31/29/18/858312918.db2.gz XRUOJVJCANKYRC-AWEZNQCLSA-N -1 3 379.503 3.626 20 0 GHADHM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000158081562 858320267 /nfs/dbraw/zinc/32/02/67/858320267.db2.gz BWUBTADXPMALMJ-OAHLLOKOSA-N -1 3 379.913 3.513 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000521812387 858336993 /nfs/dbraw/zinc/33/69/93/858336993.db2.gz RWSOLNLHEZZVPE-UHFFFAOYSA-N -1 3 380.492 3.587 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2)n1 ZINC000115032168 858355254 /nfs/dbraw/zinc/35/52/54/858355254.db2.gz COWFSVKXKGRZPK-UHFFFAOYSA-N -1 3 377.419 3.809 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000443082653 858357621 /nfs/dbraw/zinc/35/76/21/858357621.db2.gz AOLJEZDIFKISLC-QGZVFWFLSA-N -1 3 397.855 3.695 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(CC)CC3)cc2C)s1 ZINC000521900882 858414048 /nfs/dbraw/zinc/41/40/48/858414048.db2.gz ATFHWOARCQXMGH-UHFFFAOYSA-N -1 3 393.578 3.562 20 0 GHADHM CSc1ccc(-c2nsc(NC(=O)c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000440455373 858419752 /nfs/dbraw/zinc/41/97/52/858419752.db2.gz AQGNOWJMPMQFLL-UHFFFAOYSA-N -1 3 387.442 3.614 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1OCC(F)F)c1c(Cl)cccc1Cl ZINC000443217713 858482213 /nfs/dbraw/zinc/48/22/13/858482213.db2.gz DEUMPWLUZVUUFY-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CC3(C)C)ccc2C)cc1 ZINC000443381430 858611188 /nfs/dbraw/zinc/61/11/88/858611188.db2.gz COBTYFSEECIXNO-QGZVFWFLSA-N -1 3 388.489 3.789 20 0 GHADHM 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/nfs/dbraw/zinc/97/43/67/858974367.db2.gz OXUKIHKYRNSEST-SSDOTTSWSA-N -1 3 396.200 3.561 20 0 GHADHM CC(C)Cc1ccc([C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C2CC2)cc1 ZINC000482928732 858978492 /nfs/dbraw/zinc/97/84/92/858978492.db2.gz OKVWPXXAPIARSX-INIZCTEOSA-N -1 3 395.429 3.973 20 0 GHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000185555414 859094285 /nfs/dbraw/zinc/09/42/85/859094285.db2.gz XCTUOPJVLDHRDJ-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)on1 ZINC000185640024 859109873 /nfs/dbraw/zinc/10/98/73/859109873.db2.gz AYZUBUBPCFPPPE-UHFFFAOYSA-N -1 3 382.441 3.909 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4c(cc(F)cc4C)[nH]3)cc2)n1 ZINC000116735833 859128692 /nfs/dbraw/zinc/12/86/92/859128692.db2.gz KTMHFOSSRXQBHZ-UHFFFAOYSA-N -1 3 376.391 3.926 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3ncccc3Br)n2)cc1 ZINC000193218513 859147143 /nfs/dbraw/zinc/14/71/43/859147143.db2.gz IESSFDPTKDBRME-UHFFFAOYSA-N -1 3 391.250 3.624 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000483115319 859159704 /nfs/dbraw/zinc/15/97/04/859159704.db2.gz FISPIPJNXXNUNO-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)CCCCc3ccccc3)nc(=O)c2c1C ZINC000193437753 859162109 /nfs/dbraw/zinc/16/21/09/859162109.db2.gz YTRNTVBQGQNBAS-UHFFFAOYSA-N -1 3 399.516 3.534 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)cc1Cl ZINC000668219006 859213951 /nfs/dbraw/zinc/21/39/51/859213951.db2.gz WBNHPJINWSALQJ-UHFFFAOYSA-N -1 3 388.892 3.686 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000483186847 859214812 /nfs/dbraw/zinc/21/48/12/859214812.db2.gz SDPHYSXPRXEYOC-HNNXBMFYSA-N -1 3 393.344 3.551 20 0 GHADHM CC[C@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000483344847 859314457 /nfs/dbraw/zinc/31/44/57/859314457.db2.gz HYCUHMKCAYBLEU-FQEVSTJZSA-N -1 3 390.505 3.858 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000923466855 859333273 /nfs/dbraw/zinc/33/32/73/859333273.db2.gz AUOJWHVCZDBSBR-TZIWHRDSSA-N -1 3 386.517 3.531 20 0 GHADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000923471579 859341404 /nfs/dbraw/zinc/34/14/04/859341404.db2.gz XFKLGNXTRAHMDP-JOCHJYFZSA-N -1 3 384.476 3.797 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000923469425 859347588 /nfs/dbraw/zinc/34/75/88/859347588.db2.gz DRCGWGDVVPCFMV-FQEVSTJZSA-N -1 3 390.505 3.904 20 0 GHADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1c[n-]c2ccccc2c1=O ZINC000113905964 859424123 /nfs/dbraw/zinc/42/41/23/859424123.db2.gz ADQNOJIHGAGDOJ-OAQYLSRUSA-N -1 3 376.456 3.742 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1Cl ZINC000543687182 859451902 /nfs/dbraw/zinc/45/19/02/859451902.db2.gz GWCJTLNJBIPGFK-ZBFHGGJFSA-N -1 3 387.835 3.817 20 0 GHADHM [O-]c1ccc(CNC(=S)N[C@H]2CCc3ccccc3C2)cc1Br ZINC000764522602 859483472 /nfs/dbraw/zinc/48/34/72/859483472.db2.gz BGGGENDMNAWAGM-HNNXBMFYSA-N -1 3 391.334 3.676 20 0 GHADHM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000804231180 859486032 /nfs/dbraw/zinc/48/60/32/859486032.db2.gz JSGCFPHWLMOFTB-QGZVFWFLSA-N -1 3 394.487 3.761 20 0 GHADHM Cc1ccccc1NCCC(=O)Nc1cc(I)ccc1[O-] ZINC000611156725 859624813 /nfs/dbraw/zinc/62/48/13/859624813.db2.gz QLYIBXDDCFGKMW-UHFFFAOYSA-N -1 3 396.228 3.746 20 0 GHADHM CC(C)c1ccc(CCC(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673509174 859631455 /nfs/dbraw/zinc/63/14/55/859631455.db2.gz PGMMVIRHZPHIRV-JKSUJKDBSA-N -1 3 383.492 3.623 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506908 859634694 /nfs/dbraw/zinc/63/46/94/859634694.db2.gz HWQPPWMRJRDHBJ-IXDOHACOSA-N -1 3 383.492 3.526 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000611287799 859683662 /nfs/dbraw/zinc/68/36/62/859683662.db2.gz MFAJASWSQMSJLT-GOSISDBHSA-N -1 3 397.471 3.687 20 0 GHADHM CC(F)(F)CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000922347545 859701362 /nfs/dbraw/zinc/70/13/62/859701362.db2.gz RAOCBQKAONUGCX-UHFFFAOYSA-N -1 3 390.383 3.547 20 0 GHADHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000126029061 859703395 /nfs/dbraw/zinc/70/33/95/859703395.db2.gz AMUPZBYBHISLIT-UHFFFAOYSA-N -1 3 398.278 3.591 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)cn3)co2)cc1 ZINC000481018472 859796670 /nfs/dbraw/zinc/79/66/70/859796670.db2.gz XGKZXFCLFQHRIE-UHFFFAOYSA-N -1 3 397.378 3.542 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(-c3ccncc3)s2)cc1 ZINC000904005425 860038139 /nfs/dbraw/zinc/03/81/39/860038139.db2.gz LBDUNUMMLUSEMY-SFHVURJKSA-N -1 3 383.473 3.909 20 0 GHADHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000727363015 860048943 /nfs/dbraw/zinc/04/89/43/860048943.db2.gz XPPHRXYHMLPPNZ-HJWRWDBZSA-N -1 3 396.310 3.949 20 0 GHADHM COc1ccc(C(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)c([O-])c1 ZINC000011128106 860051704 /nfs/dbraw/zinc/05/17/04/860051704.db2.gz HSVKAFXYINCZCE-UHFFFAOYSA-N -1 3 399.487 3.903 20 0 GHADHM CSC[C@H](NCc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000904039794 860058055 /nfs/dbraw/zinc/05/80/55/860058055.db2.gz CSQPJYSCLPKMSR-AWEZNQCLSA-N -1 3 381.929 3.729 20 0 GHADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000484514684 860065394 /nfs/dbraw/zinc/06/53/94/860065394.db2.gz MEEGKSKNYVSELV-UHFFFAOYSA-N -1 3 378.233 3.736 20 0 GHADHM Cn1ccc(-c2nc(CNC[C@H](CC(=O)[O-])C3CCCCCC3)cs2)n1 ZINC000904026816 860068567 /nfs/dbraw/zinc/06/85/67/860068567.db2.gz LVOVJLQBIXOKHQ-HNNXBMFYSA-N -1 3 376.526 3.695 20 0 GHADHM O=C([O-])C[C@@H](Cc1cc(F)c(F)cc1F)NCc1ccc(Br)o1 ZINC000904062372 860083714 /nfs/dbraw/zinc/08/37/14/860083714.db2.gz JKXFEIGVZOTMEU-SECBINFHSA-N -1 3 392.171 3.635 20 0 GHADHM Cc1nc(F)ccc1CN[C@@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072711 860099129 /nfs/dbraw/zinc/09/91/29/860099129.db2.gz VKMZDGUAEYUBDF-HNNXBMFYSA-N -1 3 381.245 3.987 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000484592698 860152214 /nfs/dbraw/zinc/15/22/14/860152214.db2.gz 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GHADHM O=C(O[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(-c2ccco2)n[n-]1 ZINC000744662579 868988746 /nfs/dbraw/zinc/98/87/46/868988746.db2.gz CBUAQLUFZKVLMJ-QGZVFWFLSA-N -1 3 385.807 3.676 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640298317 882255448 /nfs/dbraw/zinc/25/54/48/882255448.db2.gz MFJJJEOXMUPCQZ-JTQLQIEISA-N -1 3 392.784 3.755 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1Cl ZINC000744766989 869068455 /nfs/dbraw/zinc/06/84/55/869068455.db2.gz XMUKRQIOLSMTMU-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(COC(=O)c2cccc(Br)c2[O-])n1 ZINC000744975499 869204513 /nfs/dbraw/zinc/20/45/13/869204513.db2.gz FUXSVUXWACOQMA-JTQLQIEISA-N -1 3 399.241 3.628 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C12CCC2 ZINC000462320772 869217829 /nfs/dbraw/zinc/21/78/29/869217829.db2.gz KXJOBIGGKUBPPJ-QWHCGFSZSA-N -1 3 378.321 3.928 20 0 GHADHM C[C@H](Cc1cccc(Br)c1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000524589573 869283648 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CCc1cccc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1[O-] ZINC000539845341 869891875 /nfs/dbraw/zinc/89/18/75/869891875.db2.gz JIOPLQVRABTMST-SFHVURJKSA-N -1 3 381.476 3.771 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3c(cc4c3cccc4Cl)C2)c1 ZINC000446512000 869940240 /nfs/dbraw/zinc/94/02/40/869940240.db2.gz XQJQKRYRWQQBDJ-UHFFFAOYSA-N -1 3 383.835 3.615 20 0 GHADHM CC(=O)N[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(C)C ZINC000539874850 869946174 /nfs/dbraw/zinc/94/61/74/869946174.db2.gz VIEMPSISDLCHGT-SFHVURJKSA-N -1 3 383.473 3.768 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000462726338 869953463 /nfs/dbraw/zinc/95/34/63/869953463.db2.gz JGWWMMPHRUFYAG-JMPLFQLZSA-N -1 3 399.921 3.864 20 0 GHADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000462719400 869969217 /nfs/dbraw/zinc/96/92/17/869969217.db2.gz MKZOOGXPLLCDAR-LBPRGKRZSA-N -1 3 391.386 3.899 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)sc2Br)c([O-])c1 ZINC000539970753 870132325 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Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2F)cnc1Cl ZINC001192570761 870487340 /nfs/dbraw/zinc/48/73/40/870487340.db2.gz WYVPWJIPTRRVSW-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM O=C([N-]CCNc1ncc(Cl)cc1Cl)C(F)(F)c1ccc(F)cc1 ZINC000920852194 882413515 /nfs/dbraw/zinc/41/35/15/882413515.db2.gz SDYPGUVQCMDRIY-UHFFFAOYSA-N -1 3 378.181 3.848 20 0 GHADHM O=S(=O)(c1ccccc1Nc1nc2c(cccc2[O-])s1)N1CCCC1 ZINC001192541870 870503411 /nfs/dbraw/zinc/50/34/11/870503411.db2.gz ZNSXQRHFGKFANF-UHFFFAOYSA-N -1 3 375.475 3.530 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1[O-] ZINC000538742081 870517511 /nfs/dbraw/zinc/51/75/11/870517511.db2.gz NLAWLPDIRNKOLN-LJQANCHMSA-N -1 3 394.471 3.523 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCC(C)(C)C1 ZINC001192697785 870605287 /nfs/dbraw/zinc/60/52/87/870605287.db2.gz UJAKBUVIYHNMHV-INIZCTEOSA-N -1 3 394.320 3.784 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000766355041 870632555 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CCOC(=O)c1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c[n-]1 ZINC000617874002 870987103 /nfs/dbraw/zinc/98/71/03/870987103.db2.gz WMXMNWPWUSGAQB-UHFFFAOYSA-N -1 3 395.444 3.548 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(-c2ccccc2)nc1C ZINC000181418314 870991400 /nfs/dbraw/zinc/99/14/00/870991400.db2.gz ZGDMEUPOHVVBRG-OAHLLOKOSA-N -1 3 375.384 3.620 20 0 GHADHM O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(OCCO)c1[O-] ZINC001193333735 871028257 /nfs/dbraw/zinc/02/82/57/871028257.db2.gz HRYYXRWTKLEKGI-UHFFFAOYSA-N -1 3 375.730 3.688 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Nc1cccc2ccccc21 ZINC000509651360 871038632 /nfs/dbraw/zinc/03/86/32/871038632.db2.gz SQNLJRNFVUSSHS-UHFFFAOYSA-N -1 3 392.839 3.549 20 0 GHADHM O=C(NCC1CCN(Cc2ccncc2)CC1)c1c([O-])cc(Cl)cc1Cl ZINC000617976406 871082724 /nfs/dbraw/zinc/08/27/24/871082724.db2.gz XYAPZQFWGAESMA-UHFFFAOYSA-N -1 3 394.302 3.736 20 0 GHADHM COc1nc(C)c(C(=O)[N-]c2c(F)cc(F)c(F)c2Br)s1 ZINC001193490586 871125452 /nfs/dbraw/zinc/12/54/52/871125452.db2.gz JJYGOVPOYXHQOS-UHFFFAOYSA-N -1 3 381.173 3.892 20 0 GHADHM Cc1cccc(C)c1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000766588021 871200147 /nfs/dbraw/zinc/20/01/47/871200147.db2.gz DAIVWYKDBYDBJV-UHFFFAOYSA-N -1 3 385.261 3.837 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735816 871251664 /nfs/dbraw/zinc/25/16/64/871251664.db2.gz SJDKDNYCYAETNB-UHFFFAOYSA-N -1 3 384.310 3.705 20 0 GHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447260561 871273371 /nfs/dbraw/zinc/27/33/71/871273371.db2.gz MJUWEHAYJDQRIZ-UHFFFAOYSA-N -1 3 393.367 3.812 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c2ccccc12 ZINC001193856956 871357358 /nfs/dbraw/zinc/35/73/58/871357358.db2.gz JLGVLUZOIZSOGV-UHFFFAOYSA-N -1 3 395.528 3.701 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001193932501 871377813 /nfs/dbraw/zinc/37/78/13/871377813.db2.gz ZLYWYUQIUVMEOJ-UHFFFAOYSA-N -1 3 397.862 3.570 20 0 GHADHM COc1ccc(SC)c(OC)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000540504170 871478716 /nfs/dbraw/zinc/47/87/16/871478716.db2.gz DBECTHLGGQQPEP-UHFFFAOYSA-N -1 3 379.385 3.548 20 0 GHADHM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc2n[n-]nc21 ZINC000525866201 871563305 /nfs/dbraw/zinc/56/33/05/871563305.db2.gz FLLOPOMYIWATAX-UHFFFAOYSA-N -1 3 387.173 3.796 20 0 GHADHM CC(=O)Nc1cccc([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000539233236 871565215 /nfs/dbraw/zinc/56/52/15/871565215.db2.gz PZCRUAAWJCQNIL-LBPRGKRZSA-N -1 3 376.416 3.891 20 0 GHADHM O=S(=O)([N-]c1cnncc1Br)c1ccc2c(Cl)cccc2c1 ZINC001194226153 871568281 /nfs/dbraw/zinc/56/82/81/871568281.db2.gz SSQKZCGPTLRAAP-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c(F)c1F ZINC001194371089 871642294 /nfs/dbraw/zinc/64/22/94/871642294.db2.gz CKSDKJTWZUHGIN-UHFFFAOYSA-N -1 3 384.791 3.981 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1SCc1cscn1 ZINC000525967657 871815043 /nfs/dbraw/zinc/81/50/43/871815043.db2.gz YEMHWGJXXSOOGJ-OAHLLOKOSA-N -1 3 386.502 3.684 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)Oc1ccc2ccccc2c1 ZINC001194651362 871853036 /nfs/dbraw/zinc/85/30/36/871853036.db2.gz JRFJLWFSYRBBIF-KRWDZBQOSA-N -1 3 384.432 3.854 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Oc1ccc2ccccc2c1 ZINC001194651362 871853053 /nfs/dbraw/zinc/85/30/53/871853053.db2.gz JRFJLWFSYRBBIF-KRWDZBQOSA-N -1 3 384.432 3.854 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](c4ccccc4)[C@H]3C)nc(=O)c2c1C ZINC000253551867 871878617 /nfs/dbraw/zinc/87/86/17/871878617.db2.gz JQFTUSPCKSXCDP-UKRRQHHQSA-N -1 3 397.500 3.870 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@H]1F)c1ccc2ccccc2c1F ZINC001194680322 871885974 /nfs/dbraw/zinc/88/59/74/871885974.db2.gz ATEWEZMHMJCQKK-DNVCBOLYSA-N -1 3 375.396 3.729 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CC(C)(C)CO2)c(-c2ccccc2)s1 ZINC001194690482 871888501 /nfs/dbraw/zinc/88/85/01/871888501.db2.gz IFEZDEJHTAYJBN-HNNXBMFYSA-N -1 3 380.535 3.602 20 0 GHADHM CC1(C)COc2c1cccc2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000447576818 871918164 /nfs/dbraw/zinc/91/81/64/871918164.db2.gz CNYCJWZACQOCRO-UHFFFAOYSA-N -1 3 376.250 3.755 20 0 GHADHM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618789492 871992420 /nfs/dbraw/zinc/99/24/20/871992420.db2.gz ZZRZFNIMMIGDNB-HXUWFJFHSA-N -1 3 380.419 3.660 20 0 GHADHM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC001194867160 871998805 /nfs/dbraw/zinc/99/88/05/871998805.db2.gz YEFMEJGXBUGQAO-OAHLLOKOSA-N -1 3 391.489 3.698 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(OC)OC)cc2)c(C)c1C ZINC001194866614 871999112 /nfs/dbraw/zinc/99/91/12/871999112.db2.gz KRCXOTLFNIDOLI-UHFFFAOYSA-N -1 3 393.505 3.583 20 0 GHADHM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194866455 871999131 /nfs/dbraw/zinc/99/91/31/871999131.db2.gz IMNQSWHLCICRAF-UHFFFAOYSA-N -1 3 397.468 3.586 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000509654910 872007624 /nfs/dbraw/zinc/00/76/24/872007624.db2.gz ROHQTIDPEFHBRF-GOSISDBHSA-N -1 3 384.457 3.761 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1Br ZINC001194917446 872031830 /nfs/dbraw/zinc/03/18/30/872031830.db2.gz POLJRHLKUWZKHT-HOSYDEDBSA-N -1 3 378.719 3.817 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cccc2nccnc21 ZINC001194934698 872043954 /nfs/dbraw/zinc/04/39/54/872043954.db2.gz KFEZEHRRAFTLCM-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM COC(=O)[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(C)c(C)c1 ZINC001194953496 872052776 /nfs/dbraw/zinc/05/27/76/872052776.db2.gz OFGIKRQLMJYLDJ-GOSISDBHSA-N -1 3 391.427 3.702 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)c(Br)c1 ZINC001194977424 872079518 /nfs/dbraw/zinc/07/95/18/872079518.db2.gz XAEWEFOZSNNWCB-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2cccc3nccnc32)cc1F ZINC001194979137 872081760 /nfs/dbraw/zinc/08/17/60/872081760.db2.gz ZHYDRMJLPIEQBE-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM Cc1cc(F)c(Br)c([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194987230 872091134 /nfs/dbraw/zinc/09/11/34/872091134.db2.gz DAMUDTRIELNOSW-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[n-]1 ZINC000618918990 872156933 /nfs/dbraw/zinc/15/69/33/872156933.db2.gz AJXBDHUZSKQLKT-UHFFFAOYSA-N -1 3 393.399 3.834 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)c[n-]1 ZINC000618918990 872156939 /nfs/dbraw/zinc/15/69/39/872156939.db2.gz AJXBDHUZSKQLKT-UHFFFAOYSA-N -1 3 393.399 3.834 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195134542 872192076 /nfs/dbraw/zinc/19/20/76/872192076.db2.gz QXNJZFUJXYZIRC-JKSUJKDBSA-N -1 3 388.851 3.740 20 0 GHADHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc(Br)ccc3[O-])cccc21 ZINC000447721343 872208460 /nfs/dbraw/zinc/20/84/60/872208460.db2.gz FRHVPZITXPGIDS-HNNXBMFYSA-N -1 3 391.265 3.792 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OCC2)c1ccc(Cl)cc1C(F)(F)F ZINC001195252234 872281841 /nfs/dbraw/zinc/28/18/41/872281841.db2.gz MKWNAUJKNJTIHR-UHFFFAOYSA-N -1 3 391.798 3.772 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000794164696 882597871 /nfs/dbraw/zinc/59/78/71/882597871.db2.gz DBMOQOCYHHUDJL-JTQLQIEISA-N -1 3 385.208 3.822 20 0 GHADHM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3ccc(C)c(Cl)c3)on2)c1 ZINC001195304261 872325470 /nfs/dbraw/zinc/32/54/70/872325470.db2.gz SEFKFBMDNNQHKX-UHFFFAOYSA-N -1 3 392.864 3.791 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(C)nn1Cc1ccccc1C(F)(F)F ZINC001195457645 872402333 /nfs/dbraw/zinc/40/23/33/872402333.db2.gz BZAHBBVYHRSQHS-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(C)nn1Cc1ccccc1C(F)(F)F ZINC001195457645 872402344 /nfs/dbraw/zinc/40/23/44/872402344.db2.gz BZAHBBVYHRSQHS-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCC3(CCC3)O2)c(-c2ccccc2)s1 ZINC001195536463 872475290 /nfs/dbraw/zinc/47/52/90/872475290.db2.gz WYGCQAPOOIKRQD-MRXNPFEDSA-N -1 3 392.546 3.889 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C(F)F)c(Br)c1 ZINC001195566390 872505937 /nfs/dbraw/zinc/50/59/37/872505937.db2.gz CYHFIUJGURKYHZ-UHFFFAOYSA-N -1 3 385.090 3.776 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)F)c(Br)c1 ZINC001195566390 872505946 /nfs/dbraw/zinc/50/59/46/872505946.db2.gz CYHFIUJGURKYHZ-UHFFFAOYSA-N -1 3 385.090 3.776 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)[n-]1 ZINC000552386405 872584203 /nfs/dbraw/zinc/58/42/03/872584203.db2.gz MWZWNVBKLUMUTC-UHFFFAOYSA-N -1 3 375.581 3.609 20 0 GHADHM [O-]c1ccc(NC(=S)Nc2ccccc2F)cc1I ZINC001195773311 872633472 /nfs/dbraw/zinc/63/34/72/872633472.db2.gz NGWZYVGQDQWWKW-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc3cc(Br)ccc3c2)[n-]1 ZINC000619447585 872636740 /nfs/dbraw/zinc/63/67/40/872636740.db2.gz GRURPOZZYYMWQS-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc3cc(Br)ccc3c2)c[n-]1 ZINC000619447585 872636744 /nfs/dbraw/zinc/63/67/44/872636744.db2.gz GRURPOZZYYMWQS-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)[n-]1 ZINC000619449318 872636942 /nfs/dbraw/zinc/63/69/42/872636942.db2.gz BAFWIQRQTWGUTO-UHFFFAOYSA-N -1 3 395.463 3.630 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)c[n-]1 ZINC000619449318 872636948 /nfs/dbraw/zinc/63/69/48/872636948.db2.gz BAFWIQRQTWGUTO-UHFFFAOYSA-N -1 3 395.463 3.630 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000767589265 872651725 /nfs/dbraw/zinc/65/17/25/872651725.db2.gz CMQRKVOZSUDCAE-PXAZEXFGSA-N -1 3 377.437 3.911 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(F)(F)F ZINC000767608610 872667809 /nfs/dbraw/zinc/66/78/09/872667809.db2.gz YMFSPGIJPLSITM-SDBXPKJASA-N -1 3 381.807 3.539 20 0 GHADHM O=S(=O)(Nc1ccc2ncsc2c1Br)c1ccc([O-])cc1 ZINC001195795967 872668946 /nfs/dbraw/zinc/66/89/46/872668946.db2.gz JTMFPWJLOVNHLB-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM Cc1cc(C(=O)NCc2ncccc2[O-])ccc1-c1cccc(Br)n1 ZINC001195855106 872686286 /nfs/dbraw/zinc/68/62/86/872686286.db2.gz CGOKBURJUFXYJY-UHFFFAOYSA-N -1 3 398.260 3.850 20 0 GHADHM O=S(=O)(NCc1cccc(OCC2CCCCC2)c1)c1ccc([O-])cc1 ZINC001195828100 872699021 /nfs/dbraw/zinc/69/90/21/872699021.db2.gz FAJMVJUFUFUOLR-UHFFFAOYSA-N -1 3 375.490 3.830 20 0 GHADHM COc1cccc(C2(NS(=O)(=O)c3ccc([O-])cc3)CCC(F)(F)CC2)c1 ZINC001195835813 872703613 /nfs/dbraw/zinc/70/36/13/872703613.db2.gz NTVUVQXJJXCFSR-UHFFFAOYSA-N -1 3 397.443 3.784 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C3CCC(NC(=O)C(C)(C)C)CC3)[nH][n-]2)c1 ZINC000448091568 872829173 /nfs/dbraw/zinc/82/91/73/872829173.db2.gz BCPWBBOLFWULBL-UHFFFAOYSA-N -1 3 396.535 3.775 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnn3c2nc(C)cc3C(F)F)c(F)c1 ZINC001127702131 872849443 /nfs/dbraw/zinc/84/94/43/872849443.db2.gz GPCRMOAMQLZVGS-UHFFFAOYSA-N -1 3 380.301 3.708 20 0 GHADHM O=c1cc(CN2CCOC[C@H]2c2cc(F)cc(F)c2)nc(-c2ccccc2)[n-]1 ZINC001196142846 872893982 /nfs/dbraw/zinc/89/39/82/872893982.db2.gz UGMIXKQLQKYOFL-IBGZPJMESA-N -1 3 383.398 3.701 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)c1Cl ZINC000921196612 882662894 /nfs/dbraw/zinc/66/28/94/882662894.db2.gz NCOTYDHKDDTSQR-UHFFFAOYSA-N -1 3 396.299 3.966 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccco1)Cc1ccco1 ZINC000478394945 872934004 /nfs/dbraw/zinc/93/40/04/872934004.db2.gz SMFRHUBXHHRMCU-UHFFFAOYSA-N -1 3 384.338 3.835 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1F)c1ccc(Cl)cn1 ZINC001196272930 873010453 /nfs/dbraw/zinc/01/04/53/873010453.db2.gz LDXRZFDECMUBME-QGZVFWFLSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)c1Cl ZINC000615155255 873026978 /nfs/dbraw/zinc/02/69/78/873026978.db2.gz BXDGIQFBIGOHDL-UHFFFAOYSA-N -1 3 388.272 3.552 20 0 GHADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000122731862 882679542 /nfs/dbraw/zinc/67/95/42/882679542.db2.gz HOQWMZJADIYJSZ-PMACEKPBSA-N -1 3 388.508 3.941 20 0 GHADHM CCc1nccc(C)c1NC(=O)c1cc([O-])cc(I)c1 ZINC001196400653 873076014 /nfs/dbraw/zinc/07/60/14/873076014.db2.gz DQHJCEZTODGUOB-UHFFFAOYSA-N -1 3 382.201 3.515 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(=O)OCC)[n-]1 ZINC000191962719 882684246 /nfs/dbraw/zinc/68/42/46/882684246.db2.gz CIKTTZZYFGVKCL-UHFFFAOYSA-N -1 3 387.333 3.738 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2cc([O-])cc(I)c2)cc1C ZINC001196408418 873096609 /nfs/dbraw/zinc/09/66/09/873096609.db2.gz CZPHZMQPGBZZIG-UHFFFAOYSA-N -1 3 395.240 3.886 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccncc2C(F)(F)F)C2CC2)c(F)c1 ZINC001196407698 873097714 /nfs/dbraw/zinc/09/77/14/873097714.db2.gz SHPUOPJISDVRMD-INIZCTEOSA-N -1 3 388.386 3.978 20 0 GHADHM COC(=O)c1scnc1[N-]C(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196424333 873105940 /nfs/dbraw/zinc/10/59/40/873105940.db2.gz PEYAGSASQOBLGE-UHFFFAOYSA-N -1 3 379.850 3.959 20 0 GHADHM Cc1c2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc2nn1C ZINC000464085081 873154184 /nfs/dbraw/zinc/15/41/84/873154184.db2.gz AJGRAMXXSMCWSH-UHFFFAOYSA-N -1 3 389.253 3.672 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)nc(F)c1Cl ZINC001196521345 873159577 /nfs/dbraw/zinc/15/95/77/873159577.db2.gz UANQTOSOYKJDNR-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)NCc1ncccc1[O-])OCC3 ZINC000527481229 873181489 /nfs/dbraw/zinc/18/14/89/873181489.db2.gz LOZCTYPRWMKMKM-HSZRJFAPSA-N -1 3 393.487 3.715 20 0 GHADHM COc1ccccc1/C(C)=C\C(=O)NCc1ccc([O-])c(Br)c1 ZINC000768293713 873214945 /nfs/dbraw/zinc/21/49/45/873214945.db2.gz RSHVDRZXGMBZTD-XFXZXTDPSA-N -1 3 376.250 3.883 20 0 GHADHM Cc1nc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)cc(=O)[n-]1 ZINC001196617478 873258084 /nfs/dbraw/zinc/25/80/84/873258084.db2.gz PQCLJWPVKIOCRZ-UHFFFAOYSA-N -1 3 390.321 3.704 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)c1 ZINC001196726906 873322763 /nfs/dbraw/zinc/32/27/63/873322763.db2.gz XXBDNEGMYPOYOT-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(OCC(F)F)cc1 ZINC000541304761 873326996 /nfs/dbraw/zinc/32/69/96/873326996.db2.gz MVRKHVGSRDXVBE-UHFFFAOYSA-N -1 3 392.221 3.894 20 0 GHADHM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000541307944 873334423 /nfs/dbraw/zinc/33/44/23/873334423.db2.gz XXHLGRBYBZJLJD-UHFFFAOYSA-N -1 3 398.431 3.726 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccc2F)c1 ZINC001196792932 873363508 /nfs/dbraw/zinc/36/35/08/873363508.db2.gz QMDSGCVENGXLKT-UHFFFAOYSA-N -1 3 395.349 3.513 20 0 GHADHM CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000768554321 873380826 /nfs/dbraw/zinc/38/08/26/873380826.db2.gz MHTLXODCUKBIIM-INIZCTEOSA-N -1 3 376.771 3.819 20 0 GHADHM CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000768554321 873380837 /nfs/dbraw/zinc/38/08/37/873380837.db2.gz MHTLXODCUKBIIM-INIZCTEOSA-N -1 3 376.771 3.819 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000775747523 873418635 /nfs/dbraw/zinc/41/86/35/873418635.db2.gz XPERTHZRSZDART-QWHCGFSZSA-N -1 3 387.288 3.622 20 0 GHADHM CN(C)c1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c2ccccc2n1 ZINC000464216120 873420470 /nfs/dbraw/zinc/42/04/70/873420470.db2.gz TWBQCXOOEZEZCX-UHFFFAOYSA-N -1 3 393.871 3.572 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)CC(=O)N3)c(C)c1 ZINC001196884980 873426940 /nfs/dbraw/zinc/42/69/40/873426940.db2.gz FGCPJDYWGOQHHN-UHFFFAOYSA-N -1 3 388.489 3.733 20 0 GHADHM CSc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC001196998863 873519452 /nfs/dbraw/zinc/51/94/52/873519452.db2.gz ZTVQCGQILOHOQQ-UHFFFAOYSA-N -1 3 379.367 3.860 20 0 GHADHM CSc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001196998863 873519455 /nfs/dbraw/zinc/51/94/55/873519455.db2.gz ZTVQCGQILOHOQQ-UHFFFAOYSA-N -1 3 379.367 3.860 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(=O)[n-]1 ZINC000541421807 873531750 /nfs/dbraw/zinc/53/17/50/873531750.db2.gz NAUXNEVORDPWQR-UHFFFAOYSA-N -1 3 385.811 3.653 20 0 GHADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1n[nH]c(C2CC2)c1Br ZINC000448540228 873539725 /nfs/dbraw/zinc/53/97/25/873539725.db2.gz ZTVLWWGDLGCPLJ-UHFFFAOYSA-N -1 3 391.200 3.518 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC001197029858 873552896 /nfs/dbraw/zinc/55/28/96/873552896.db2.gz QXGZBGMMTMYLNM-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000541434668 873574202 /nfs/dbraw/zinc/57/42/02/873574202.db2.gz VDQFAEVJGRATBP-UHFFFAOYSA-N -1 3 394.479 3.604 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000541440613 873585249 /nfs/dbraw/zinc/58/52/49/873585249.db2.gz AADIOUGFCCEDAA-MRXNPFEDSA-N -1 3 388.880 3.794 20 0 GHADHM CC[C@]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)(C(=O)OC)c1ccccc1 ZINC000768839001 873619948 /nfs/dbraw/zinc/61/99/48/873619948.db2.gz ZRRPXIDGGYSRCB-JXOMPUQVSA-N -1 3 393.892 3.709 20 0 GHADHM COc1cc(C)c([C@@H](C)NC(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC000527964240 873841579 /nfs/dbraw/zinc/84/15/79/873841579.db2.gz GNTVEFFHYMLUAW-LLVKDONJSA-N -1 3 394.265 3.971 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]2CCC[C@H]21 ZINC000541572902 873886923 /nfs/dbraw/zinc/88/69/23/873886923.db2.gz OFXBSOVXVIQOQC-BDJLRTHQSA-N -1 3 375.266 3.695 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nc(Cl)ccc1Br ZINC001197567438 873905704 /nfs/dbraw/zinc/90/57/04/873905704.db2.gz KYGJAQNAJWNQOS-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM CCCCC[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769320311 873965790 /nfs/dbraw/zinc/96/57/90/873965790.db2.gz YNVZKISVPJEZOJ-MRXNPFEDSA-N -1 3 384.517 3.697 20 0 GHADHM Cc1cc(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cc2o1 ZINC001197684798 873978273 /nfs/dbraw/zinc/97/82/73/873978273.db2.gz DNWXMYBMWIXKFD-UHFFFAOYSA-N -1 3 381.812 3.836 20 0 GHADHM CC1(C)COc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])nn2C1 ZINC001197706728 873992433 /nfs/dbraw/zinc/99/24/33/873992433.db2.gz MKVGSUHWOLBGAT-UHFFFAOYSA-N -1 3 393.443 3.839 20 0 GHADHM COc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1[O-] ZINC000301996560 874002319 /nfs/dbraw/zinc/00/23/19/874002319.db2.gz LWQHNNFEHDVDJW-UHFFFAOYSA-N -1 3 395.484 3.668 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC4(CCCCC4)CC3)nc(=O)c2c1C ZINC000102410971 882785727 /nfs/dbraw/zinc/78/57/27/882785727.db2.gz VKADUGQTLCVMNA-UHFFFAOYSA-N -1 3 389.521 3.626 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccn2)c(F)c1 ZINC001197829073 874082326 /nfs/dbraw/zinc/08/23/26/874082326.db2.gz KJBJIZUMYXWZSY-UHFFFAOYSA-N -1 3 381.429 3.510 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804406727 882792326 /nfs/dbraw/zinc/79/23/26/882792326.db2.gz NYUCJAYALNWYBU-XMMPIXPASA-N -1 3 398.462 3.904 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cn2)c([O-])c1 ZINC001197928732 874115952 /nfs/dbraw/zinc/11/59/52/874115952.db2.gz ZECQKQYWAZUQCN-UHFFFAOYSA-N -1 3 380.347 3.596 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)c([O-])c1 ZINC001197948196 874137022 /nfs/dbraw/zinc/13/70/22/874137022.db2.gz XOCSUYMHDPLOEA-UHFFFAOYSA-N -1 3 397.475 3.985 20 0 GHADHM CSc1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000775809372 874165919 /nfs/dbraw/zinc/16/59/19/874165919.db2.gz UBPLECJNBYLOFI-UHFFFAOYSA-N -1 3 394.493 3.549 20 0 GHADHM Cc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c([O-])c1C ZINC000769639405 874181883 /nfs/dbraw/zinc/18/18/83/874181883.db2.gz QAOIATXLCKWACU-UHFFFAOYSA-N -1 3 378.222 3.795 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(F)c(C(F)(F)F)cc1F ZINC000464634678 874186577 /nfs/dbraw/zinc/18/65/77/874186577.db2.gz IDLFBLTXYQQPOF-UHFFFAOYSA-N -1 3 376.672 3.932 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](OCc2ccccc2)CC1)c1cccc(Cl)n1 ZINC001198192390 874286971 /nfs/dbraw/zinc/28/69/71/874286971.db2.gz YITIXAYSWZFVEB-WKILWMFISA-N -1 3 380.897 3.541 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccnc(F)c2)c(F)c1)c1cccc(Cl)n1 ZINC001198246220 874308868 /nfs/dbraw/zinc/30/88/68/874308868.db2.gz FCNVGRXFXNPPSE-UHFFFAOYSA-N -1 3 395.818 3.554 20 0 GHADHM CCn1c2cc(F)ccc2nc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000541847689 874370404 /nfs/dbraw/zinc/37/04/04/874370404.db2.gz RDCCDWZAQXYTKT-UHFFFAOYSA-N -1 3 382.370 3.737 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC001198723690 874582858 /nfs/dbraw/zinc/58/28/58/874582858.db2.gz YDOMYRCODDQNIS-MRXNPFEDSA-N -1 3 384.860 3.702 20 0 GHADHM CCC[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000449233421 874622929 /nfs/dbraw/zinc/62/29/29/874622929.db2.gz LNKXFKXAEBYREV-QGZVFWFLSA-N -1 3 394.468 3.689 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)cc1OC ZINC001198792638 874638140 /nfs/dbraw/zinc/63/81/40/874638140.db2.gz HOQKIMSNMDSAAO-SOUVJXGZSA-N -1 3 397.541 3.793 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2Cl)c(C)c1 ZINC001198895843 874680197 /nfs/dbraw/zinc/68/01/97/874680197.db2.gz BNYKTRODYKJZKY-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc3occc3c2)cc1OC ZINC001198870727 874687443 /nfs/dbraw/zinc/68/74/43/874687443.db2.gz SCKHZCPXIKAZRZ-UHFFFAOYSA-N -1 3 395.820 3.682 20 0 GHADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc2o1 ZINC001198939420 874719420 /nfs/dbraw/zinc/71/94/20/874719420.db2.gz AYJIDOCJOAGUSN-UHFFFAOYSA-N -1 3 389.429 3.727 20 0 GHADHM COC(=O)c1ccc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc2c1 ZINC001198951832 874725278 /nfs/dbraw/zinc/72/52/78/874725278.db2.gz ZLGUBAUZWHBPCG-UHFFFAOYSA-N -1 3 385.441 3.744 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000134390201 882873301 /nfs/dbraw/zinc/87/33/01/882873301.db2.gz XRZCKIIONOCPKU-QGZVFWFLSA-N -1 3 377.444 3.589 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000528838205 875134066 /nfs/dbraw/zinc/13/40/66/875134066.db2.gz DGIBAQVLAYRWOW-QGZVFWFLSA-N -1 3 394.240 3.632 20 0 GHADHM COc1cc(CN(C(=O)c2cc([O-])cc(Br)c2)C2CC2)ccc1O ZINC000528859048 875161804 /nfs/dbraw/zinc/16/18/04/875161804.db2.gz WPRIFMAZDOYLOP-UHFFFAOYSA-N -1 3 392.249 3.674 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2ncccc2C(F)(F)F)C2CC2)c1F ZINC001200866178 875368638 /nfs/dbraw/zinc/36/86/38/875368638.db2.gz MZPDKPJIQPINKT-HNNXBMFYSA-N -1 3 388.386 3.978 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]C2(Cc3ccncc3)CCC(F)(F)CC2)c1F ZINC001200876515 875377133 /nfs/dbraw/zinc/37/71/33/875377133.db2.gz LNGWSRRLHHKLMP-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c1[O-] ZINC000303283244 875391964 /nfs/dbraw/zinc/39/19/64/875391964.db2.gz MQCRLYGXEIQHCJ-UHFFFAOYSA-N -1 3 389.411 3.880 20 0 GHADHM Cc1ccc(NC(=O)NCc2cnc(C)[n-]c2=O)c(OCc2ccccc2)c1 ZINC000542349618 875393096 /nfs/dbraw/zinc/39/30/96/875393096.db2.gz IXQHQHBLUMTARY-UHFFFAOYSA-N -1 3 378.432 3.700 20 0 GHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000529043742 875476273 /nfs/dbraw/zinc/47/62/73/875476273.db2.gz DGDUDUAFYWIDDL-JTQLQIEISA-N -1 3 380.286 3.906 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(=O)[n-]1 ZINC000542397693 875478271 /nfs/dbraw/zinc/47/82/71/875478271.db2.gz QBCYJTHLKDLEME-UHFFFAOYSA-N -1 3 385.811 3.653 20 0 GHADHM O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000303373022 875529960 /nfs/dbraw/zinc/52/99/60/875529960.db2.gz KPCXQZOOXJWYBZ-HXUWFJFHSA-N -1 3 392.499 3.625 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)[n-]1 ZINC000776139823 875538662 /nfs/dbraw/zinc/53/86/62/875538662.db2.gz RDKGTNGLNGCRCW-CYBMUJFWSA-N -1 3 385.851 3.577 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C)cc2C(F)(F)F)cc1 ZINC001201223392 875586860 /nfs/dbraw/zinc/58/68/60/875586860.db2.gz UJXJQHDFWCKSEH-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2c(F)cccc2Br)cc1[O-] ZINC000771987098 875594211 /nfs/dbraw/zinc/59/42/11/875594211.db2.gz SPXJXQCMQWBFFY-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000529232249 875887669 /nfs/dbraw/zinc/88/76/69/875887669.db2.gz KCEASPFQWSILDT-ZACQAIPSSA-N -1 3 382.298 3.701 20 0 GHADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2Cl)c1 ZINC001201858180 875889465 /nfs/dbraw/zinc/88/94/65/875889465.db2.gz VHRGRQNBZUVICM-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM COc1cccc2[nH]cc(CC(=O)Nc3cc(Br)ccc3[O-])c21 ZINC000182732182 882982981 /nfs/dbraw/zinc/98/29/81/882982981.db2.gz CBLMXYJISLDMOI-UHFFFAOYSA-N -1 3 375.222 3.826 20 0 GHADHM O=C(Nc1nc(C2CCOCC2)cs1)c1cc([O-])cc(Br)c1 ZINC000529381793 876053019 /nfs/dbraw/zinc/05/30/19/876053019.db2.gz WOVCKHCKTLUUQH-UHFFFAOYSA-N -1 3 383.267 3.758 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C ZINC000776255225 876063257 /nfs/dbraw/zinc/06/32/57/876063257.db2.gz BKALBUBOCSDITC-CQSZACIVSA-N -1 3 381.402 3.877 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cc(F)c(F)c(F)c1 ZINC000173067606 876145651 /nfs/dbraw/zinc/14/56/51/876145651.db2.gz FNQIENGRZMBPJN-SFHVURJKSA-N -1 3 378.375 3.567 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CCC(=O)c3ccccc3)nc(=O)c2c1C ZINC000005983374 876249923 /nfs/dbraw/zinc/24/99/23/876249923.db2.gz VPECYSPHYKWPGK-LBPRGKRZSA-N -1 3 384.457 3.869 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cc(COc3ccccc3F)on2)c(C)s1 ZINC001129601923 883009658 /nfs/dbraw/zinc/00/96/58/883009658.db2.gz FAPMIEVMMJVMHG-UHFFFAOYSA-N -1 3 390.392 3.802 20 0 GHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccccc1Br ZINC000786029642 876386133 /nfs/dbraw/zinc/38/61/33/876386133.db2.gz IBGKOULRIRPYNY-VIFPVBQESA-N -1 3 377.194 3.707 20 0 GHADHM CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786032914 876419403 /nfs/dbraw/zinc/41/94/03/876419403.db2.gz XLEHSCQWXWKKLC-LLVKDONJSA-N -1 3 380.356 3.894 20 0 GHADHM C[C@H](NC(=O)COC(=O)c1cc2occc2[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000786032136 876419547 /nfs/dbraw/zinc/41/95/47/876419547.db2.gz RFNZVMUQVDBKTB-JTQLQIEISA-N -1 3 396.321 3.694 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000786032777 876420008 /nfs/dbraw/zinc/42/00/08/876420008.db2.gz VYWAKUKOBPHIHF-UHFFFAOYSA-N -1 3 382.372 3.598 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000786135388 876501209 /nfs/dbraw/zinc/50/12/09/876501209.db2.gz BDBKJXYLKRRHON-VIFPVBQESA-N -1 3 376.821 3.839 20 0 GHADHM COc1cccc([C@H]2CN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2(C)C)c1 ZINC000529730449 876588084 /nfs/dbraw/zinc/58/80/84/876588084.db2.gz YPKUANSIMGZAIV-QGZVFWFLSA-N -1 3 385.460 3.684 20 0 GHADHM O=C(COc1ccc(Oc2ccccc2)cc1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000492354825 876704006 /nfs/dbraw/zinc/70/40/06/876704006.db2.gz WCIOSNDDMNBZIC-UHFFFAOYSA-N -1 3 386.411 3.703 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1 ZINC000174055499 876807015 /nfs/dbraw/zinc/80/70/15/876807015.db2.gz WSTOGRJOJWFNTP-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM Cc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)c(-n2cc(Cl)cn2)n1 ZINC000786843364 877007788 /nfs/dbraw/zinc/00/77/88/877007788.db2.gz JAOHUXHYACVEDY-UHFFFAOYSA-N -1 3 394.784 3.776 20 0 GHADHM CC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccc(C)c1 ZINC000850575611 877042414 /nfs/dbraw/zinc/04/24/14/877042414.db2.gz ANXMQNXCJLVJAK-QGZVFWFLSA-N -1 3 386.496 3.756 20 0 GHADHM Cc1ccc([C@@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c(C)c1 ZINC000850577300 877049128 /nfs/dbraw/zinc/04/91/28/877049128.db2.gz YMCFOZRIMNWEOC-OAHLLOKOSA-N -1 3 386.496 3.675 20 0 GHADHM O=C(CCCNC(=O)c1ccc(F)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152171804 877142057 /nfs/dbraw/zinc/14/20/57/877142057.db2.gz JPDWAFYTSOQFHL-UHFFFAOYSA-N -1 3 398.356 3.603 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)C[C@@H](OC)c3ccccc3)c2C1 ZINC000451006725 877219828 /nfs/dbraw/zinc/21/98/28/877219828.db2.gz IDAUNPPCOXAWGZ-OAQYLSRUSA-N -1 3 388.533 3.932 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC3(NC(=O)OC(C)(C)C)CC3)c2)n1 ZINC000850861212 877238833 /nfs/dbraw/zinc/23/88/33/877238833.db2.gz VKHJGIXHTALINV-UHFFFAOYSA-N -1 3 399.447 3.510 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1C ZINC000451039000 877247664 /nfs/dbraw/zinc/24/76/64/877247664.db2.gz XBBMCDVOJVYOPL-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000610056543 877338258 /nfs/dbraw/zinc/33/82/58/877338258.db2.gz XNHNOQDZQNEAHU-UHFFFAOYSA-N -1 3 377.462 3.580 20 0 GHADHM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cc([O-])cc(Br)c1 ZINC000530264111 877375330 /nfs/dbraw/zinc/37/53/30/877375330.db2.gz ADBVGDVRWPNQEZ-SHTZXODSSA-N -1 3 390.281 3.703 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)CCC1CCCCC1)c1nc(-c2ccncc2)no1 ZINC000451156948 877473720 /nfs/dbraw/zinc/47/37/20/877473720.db2.gz UJLZPIKUENXBCG-KRWDZBQOSA-N -1 3 392.525 3.719 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2cccc(Br)c2)n1 ZINC000477345180 877490019 /nfs/dbraw/zinc/49/00/19/877490019.db2.gz CWWGWDTZKRXXEY-SNVBAGLBSA-N -1 3 396.310 3.768 20 0 GHADHM CC1(C)CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000137274362 877528940 /nfs/dbraw/zinc/52/89/40/877528940.db2.gz SRKMSYPVXYSOIU-MRXNPFEDSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@@]1(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1(F)F ZINC000851267122 877554416 /nfs/dbraw/zinc/55/44/16/877554416.db2.gz VITRBRRTMCPBKP-KRWDZBQOSA-N -1 3 399.390 3.829 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1Cl ZINC000137593785 877574821 /nfs/dbraw/zinc/57/48/21/877574821.db2.gz DKDOLYAODOPJMA-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM COc1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000787842647 877662185 /nfs/dbraw/zinc/66/21/85/877662185.db2.gz HZAQRMFZPNSRCR-UHFFFAOYSA-N -1 3 395.814 3.698 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCc2ccccc21 ZINC000787847097 877665722 /nfs/dbraw/zinc/66/57/22/877665722.db2.gz ZUGNPPAZXVIQCD-HNNXBMFYSA-N -1 3 385.435 3.765 20 0 GHADHM CC(C)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@@H]1C ZINC000787847077 877665798 /nfs/dbraw/zinc/66/57/98/877665798.db2.gz ZLNCRAFDPKCNKN-YWZLYKJASA-N -1 3 379.472 3.823 20 0 GHADHM O=[S@](Cc1cccc(NCc2c(F)ccc([O-])c2F)c1)C1CCOCC1 ZINC000509471469 877678517 /nfs/dbraw/zinc/67/85/17/877678517.db2.gz PPDRRLONQUQGOT-AREMUKBSSA-N -1 3 381.444 3.710 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)cc1Cl ZINC000175413809 877689966 /nfs/dbraw/zinc/68/99/66/877689966.db2.gz XODRXTPULDQKPH-NEPJUHHUSA-N -1 3 398.887 3.908 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000615475244 877757607 /nfs/dbraw/zinc/75/76/07/877757607.db2.gz WBSPCORCBQJKNR-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)c(F)c1 ZINC000530425931 877766794 /nfs/dbraw/zinc/76/67/94/877766794.db2.gz DKAORZGBPCQFBF-JTQLQIEISA-N -1 3 395.383 3.537 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ccc(Cn2cccn2)o1 ZINC000068010975 877774417 /nfs/dbraw/zinc/77/44/17/877774417.db2.gz RGXQFTYDEPSUNE-UHFFFAOYSA-N -1 3 385.836 3.949 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000788146898 877861644 /nfs/dbraw/zinc/86/16/44/877861644.db2.gz CQUODYVYZOFQES-UHFFFAOYSA-N -1 3 395.250 3.593 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000551887332 877965071 /nfs/dbraw/zinc/96/50/71/877965071.db2.gz UZONZJVWWLZDFX-KXBFYZLASA-N -1 3 389.448 3.936 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000451446752 877969798 /nfs/dbraw/zinc/96/97/98/877969798.db2.gz OGUBVTHJQWJSSP-UHFFFAOYSA-N -1 3 397.368 3.915 20 0 GHADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000530509990 877980364 /nfs/dbraw/zinc/98/03/64/877980364.db2.gz DVDOHCYDUIQOSC-WOPDTQHZSA-N -1 3 377.282 3.797 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3nc4ccccc4o3)nc(=O)c2c1C ZINC000005628723 878020593 /nfs/dbraw/zinc/02/05/93/878020593.db2.gz ZYMFRRILCNZIJW-UHFFFAOYSA-N -1 3 387.442 3.513 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c[nH]cc2-c2cccc(OC)c2)c([O-])c1 ZINC000537824109 878345441 /nfs/dbraw/zinc/34/54/41/878345441.db2.gz WQIPZCGLRJFMCQ-UHFFFAOYSA-N -1 3 380.400 3.825 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)s1 ZINC000176737791 878379556 /nfs/dbraw/zinc/37/95/56/878379556.db2.gz CBGIEDNJUZEHHV-SECBINFHSA-N -1 3 377.857 3.850 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)sc1Cl ZINC000788899242 878433148 /nfs/dbraw/zinc/43/31/48/878433148.db2.gz GLCMTIUUJDWBNI-NSHDSACASA-N -1 3 399.843 3.741 20 0 GHADHM CC[C@](C)(CCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1OCCO1 ZINC000788898396 878433470 /nfs/dbraw/zinc/43/34/70/878433470.db2.gz LRQXWAUEBYLZNJ-OAHLLOKOSA-N -1 3 381.947 3.558 20 0 GHADHM O=C([N-]Cc1ccccc1N1CCCCCC1)C(F)(F)OCC(F)(F)F ZINC001183195092 912346354 /nfs/dbraw/zinc/34/63/54/912346354.db2.gz SRGJIBMIWVAYBH-UHFFFAOYSA-N -1 3 380.357 3.855 20 0 GHADHM Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c(C)n1 ZINC000852674146 878510277 /nfs/dbraw/zinc/51/02/77/878510277.db2.gz XPXXXKUREXYWQN-RTBURBONSA-N -1 3 391.437 3.735 20 0 GHADHM CC(=O)Nc1cccc2c1CCCN2Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000054367828 878645690 /nfs/dbraw/zinc/64/56/90/878645690.db2.gz LSAGGZGRKJWEMK-UHFFFAOYSA-N -1 3 378.428 3.718 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000642937596 912370470 /nfs/dbraw/zinc/37/04/70/912370470.db2.gz QSTDTJQPAXKCFV-UHFFFAOYSA-N -1 3 387.324 3.550 20 0 GHADHM C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000177509175 878736821 /nfs/dbraw/zinc/73/68/21/878736821.db2.gz ATJUVGSIDRUBRR-GFCCVEGCSA-N -1 3 380.514 3.748 20 0 GHADHM C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000177509175 878736832 /nfs/dbraw/zinc/73/68/32/878736832.db2.gz ATJUVGSIDRUBRR-GFCCVEGCSA-N -1 3 380.514 3.748 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000538119516 878842056 /nfs/dbraw/zinc/84/20/56/878842056.db2.gz MRUJETHMJBXVAQ-ZBFHGGJFSA-N -1 3 390.263 3.941 20 0 GHADHM Nc1nc2ccc(CC(=O)Nc3cc(Br)ccc3[O-])cc2s1 ZINC001183301302 912408516 /nfs/dbraw/zinc/40/85/16/912408516.db2.gz GPERLZVKYJNJON-UHFFFAOYSA-N -1 3 378.251 3.528 20 0 GHADHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC000746829339 879084682 /nfs/dbraw/zinc/08/46/82/879084682.db2.gz RTROAYDEOVZOGR-UHFFFAOYSA-N -1 3 399.285 3.931 20 0 GHADHM C[C@]1(F)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000452192599 879112409 /nfs/dbraw/zinc/11/24/09/879112409.db2.gz GRXRLUKKNMWFGT-IBGZPJMESA-N -1 3 394.443 3.591 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cncc(Cl)c1 ZINC000461123408 879212211 /nfs/dbraw/zinc/21/22/11/879212211.db2.gz FERPBNLJQNRXHQ-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461136286 879233777 /nfs/dbraw/zinc/23/37/77/879233777.db2.gz VDUUFOZVGRJDHV-UHFFFAOYSA-N -1 3 394.880 3.806 20 0 GHADHM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111573891 879275795 /nfs/dbraw/zinc/27/57/95/879275795.db2.gz OHJBWFVEEKHSMW-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000448452716 879288881 /nfs/dbraw/zinc/28/88/81/879288881.db2.gz QQPISFBUZUHSPU-AVRDEDQJSA-N -1 3 376.456 3.957 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1ccco1 ZINC000790014141 879401735 /nfs/dbraw/zinc/40/17/35/879401735.db2.gz CYGXMHNZMCRGTB-OAHLLOKOSA-N -1 3 380.441 3.592 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)n1 ZINC000854107483 879544266 /nfs/dbraw/zinc/54/42/66/879544266.db2.gz ZKSLREIHDRMQFK-UHFFFAOYSA-N -1 3 393.466 3.720 20 0 GHADHM COc1ccccc1-c1nnc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)s1 ZINC000452525168 879624850 /nfs/dbraw/zinc/62/48/50/879624850.db2.gz WVMRCVZQZARHJJ-SNVBAGLBSA-N -1 3 390.490 3.938 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493953059 879769211 /nfs/dbraw/zinc/76/92/11/879769211.db2.gz QLJRAVNMFWPPJJ-CMPLNLGQSA-N -1 3 396.734 3.584 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N(CCn1ccnc1)C1CCSCC1 ZINC000854412359 879791786 /nfs/dbraw/zinc/79/17/86/879791786.db2.gz NTWKIEFSSICFTG-UHFFFAOYSA-N -1 3 387.530 3.841 20 0 GHADHM CC(C)(C)OC(=O)N(CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854581582 879923636 /nfs/dbraw/zinc/92/36/36/879923636.db2.gz QKMHLWPSBOKXRO-UHFFFAOYSA-N -1 3 382.420 3.649 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(N2CCCC2)nc1 ZINC000452746982 879966925 /nfs/dbraw/zinc/96/69/25/879966925.db2.gz HGFIFPKMZZVGPS-UHFFFAOYSA-N -1 3 376.254 3.711 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ncco1)c1cc(F)ccc1Cl ZINC001212311073 879969551 /nfs/dbraw/zinc/96/95/51/879969551.db2.gz GWJWMKKAJHMYGJ-HNNXBMFYSA-N -1 3 380.828 3.729 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccnc4ccccc43)CC2)c1 ZINC000854756429 880045499 /nfs/dbraw/zinc/04/54/99/880045499.db2.gz QLJRTNWYKMTXFP-UHFFFAOYSA-N -1 3 389.455 3.919 20 0 GHADHM Cc1ccnc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000791323545 880331728 /nfs/dbraw/zinc/33/17/28/880331728.db2.gz POLCXIJJDXPCQI-OAQYLSRUSA-N -1 3 390.439 3.700 20 0 GHADHM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc2sccc2c([O-])c1 ZINC000791313425 880348164 /nfs/dbraw/zinc/34/81/64/880348164.db2.gz HTTSUVBDUBXIKY-UHFFFAOYSA-N -1 3 384.457 3.716 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Oc3ccc(Cl)nn3)cc2)c2ccccc21 ZINC000113139526 880356868 /nfs/dbraw/zinc/35/68/68/880356868.db2.gz NOGLJMSKXCPQRX-LFIBNONCSA-N -1 3 392.802 3.645 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000791358414 880370254 /nfs/dbraw/zinc/37/02/54/880370254.db2.gz FDCZZGDOPBELED-INIZCTEOSA-N -1 3 384.432 3.624 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000010494602 880683583 /nfs/dbraw/zinc/68/35/83/880683583.db2.gz PULAWFJVTHVCBJ-UHFFFAOYSA-N -1 3 390.848 3.679 20 0 GHADHM O=C(CC1(CSc2ccccc2)CC1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000186103803 880787563 /nfs/dbraw/zinc/78/75/63/880787563.db2.gz ZIYDBAZNAQIHKI-UHFFFAOYSA-N -1 3 379.489 3.692 20 0 GHADHM O=C(CC1(CSc2ccccc2)CC1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000186103803 880787575 /nfs/dbraw/zinc/78/75/75/880787575.db2.gz ZIYDBAZNAQIHKI-UHFFFAOYSA-N -1 3 379.489 3.692 20 0 GHADHM O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186181257 880814355 /nfs/dbraw/zinc/81/43/55/880814355.db2.gz CHOOANFTXFUPLB-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000855930529 880857892 /nfs/dbraw/zinc/85/78/92/880857892.db2.gz NPIUPZDSTQUKEW-UHFFFAOYSA-N -1 3 387.276 3.904 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)cc1 ZINC000792032709 880868440 /nfs/dbraw/zinc/86/84/40/880868440.db2.gz FKQBWEOQCYKLBU-LJQANCHMSA-N -1 3 379.412 3.588 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000792194109 880982119 /nfs/dbraw/zinc/98/21/19/880982119.db2.gz GEVOVSISHYEAEG-KDOFPFPSSA-N -1 3 384.476 3.921 20 0 GHADHM O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([O-])c2ccccc2c1 ZINC000792229310 880993020 /nfs/dbraw/zinc/99/30/20/880993020.db2.gz XIBFTSNUHRAZFG-SFHVURJKSA-N -1 3 391.345 3.907 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc1[O-] ZINC000856313974 881108104 /nfs/dbraw/zinc/10/81/04/881108104.db2.gz AAKPZVDMUDEMDM-OALUTQOASA-N -1 3 375.852 3.736 20 0 GHADHM COc1cc(C(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000856319861 881121631 /nfs/dbraw/zinc/12/16/31/881121631.db2.gz VXOGGZIXFFKQOE-MSOLQXFVSA-N -1 3 393.867 3.551 20 0 GHADHM CC(C)(C)OC(=O)NCCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792482834 881136862 /nfs/dbraw/zinc/13/68/62/881136862.db2.gz GMCMTRRQLUDYLP-UHFFFAOYSA-N -1 3 399.451 3.851 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2Cl)ccc1F ZINC000792610328 881331600 /nfs/dbraw/zinc/33/16/00/881331600.db2.gz QOZLCRSHWYXJHR-GFCCVEGCSA-N -1 3 398.887 3.657 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1C ZINC000609411104 883144220 /nfs/dbraw/zinc/14/42/20/883144220.db2.gz BGXZGGPGMOPQHD-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ncccc1Br ZINC000193190334 883152223 /nfs/dbraw/zinc/15/22/23/883152223.db2.gz KKCLIJWFWRPSOQ-UHFFFAOYSA-N -1 3 375.251 3.539 20 0 GHADHM Cc1cc(Br)c(F)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC001129759764 883160727 /nfs/dbraw/zinc/16/07/27/883160727.db2.gz RUSDGCQNGTZPRM-UHFFFAOYSA-N -1 3 380.217 3.523 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000135044575 883183029 /nfs/dbraw/zinc/18/30/29/883183029.db2.gz CWDQCOYTRHTNEQ-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM O=C([O-])[C@]1(NCc2ccc(OCc3ccncc3)cc2)CCc2c1cccc2F ZINC000551057821 883200062 /nfs/dbraw/zinc/20/00/62/883200062.db2.gz FTJISONUYSALQW-QHCPKHFHSA-N -1 3 392.430 3.816 20 0 GHADHM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000551073892 883235708 /nfs/dbraw/zinc/23/57/08/883235708.db2.gz XEQDYTQYNQVGNR-HXUWFJFHSA-N -1 3 395.377 3.842 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]CCSC(F)(F)F)cc1Cl ZINC000729854004 883285704 /nfs/dbraw/zinc/28/57/04/883285704.db2.gz REEJOOFDEGBCBG-UHFFFAOYSA-N -1 3 384.228 3.533 20 0 GHADHM CC(C)CCN(CCC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914470088 883398467 /nfs/dbraw/zinc/39/84/67/883398467.db2.gz OSLZKDOYHCCDAX-UHFFFAOYSA-N -1 3 398.544 3.801 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000184911476 883403342 /nfs/dbraw/zinc/40/33/42/883403342.db2.gz ZSUYBBALAFOYEA-MRXNPFEDSA-N -1 3 397.456 3.980 20 0 GHADHM Cc1cccc([C@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C(C)C)c1 ZINC000858880245 883424450 /nfs/dbraw/zinc/42/44/50/883424450.db2.gz WCQIKODYZTWMFI-DOTOQJQBSA-N -1 3 399.457 3.792 20 0 GHADHM COc1ccc2c(c1)CN(CCC[N-]C(=O)C(F)(F)F)[C@@H](c1ccccc1)C2 ZINC000774659164 912707884 /nfs/dbraw/zinc/70/78/84/912707884.db2.gz DYEWGAQVZYPVAR-LJQANCHMSA-N -1 3 392.421 3.863 20 0 GHADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209812 883487769 /nfs/dbraw/zinc/48/77/69/883487769.db2.gz ZCNRZWAOMQQRFZ-GHMZBOCLSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000064478174 883501629 /nfs/dbraw/zinc/50/16/29/883501629.db2.gz QJJKJRHMUCHAKU-GJZGRUSLSA-N -1 3 378.469 3.549 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000476978105 883517273 /nfs/dbraw/zinc/51/72/73/883517273.db2.gz JBARKPNUEGOGNW-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2)n1 ZINC000185590450 883561318 /nfs/dbraw/zinc/56/13/18/883561318.db2.gz WNMCOVHEKVUJEX-UHFFFAOYSA-N -1 3 375.215 3.699 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286394736 912726455 /nfs/dbraw/zinc/72/64/55/912726455.db2.gz LEMUOQXCAZKYHU-PJIJBLCYSA-N -1 3 399.491 3.704 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2csc(-c3ccccc3OC)n2)c([O-])c1 ZINC000609851307 883729961 /nfs/dbraw/zinc/72/99/61/883729961.db2.gz WGDNANOAKULMCY-UHFFFAOYSA-N -1 3 398.440 3.953 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3cnn(C(C)C)c3Cl)n2)cc1 ZINC000859325107 883743895 /nfs/dbraw/zinc/74/38/95/883743895.db2.gz RDAAMYZVHSPPOQ-UHFFFAOYSA-N -1 3 377.857 3.897 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000609873165 883759642 /nfs/dbraw/zinc/75/96/42/883759642.db2.gz KHZGEZKBLBGIQN-DEOSSOPVSA-N -1 3 379.547 3.799 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000116708624 883771658 /nfs/dbraw/zinc/77/16/58/883771658.db2.gz QKERIMTZXHMFOA-UHFFFAOYSA-N -1 3 399.877 3.803 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)c(C)c1 ZINC000194729036 883911481 /nfs/dbraw/zinc/91/14/81/883911481.db2.gz IQPUQIDBAABGOQ-UHFFFAOYSA-N -1 3 390.505 3.723 20 0 GHADHM C[C@H]1CCN(Cc2ccc(OC(F)F)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788619 884071248 /nfs/dbraw/zinc/07/12/48/884071248.db2.gz QCDJKASMMGZKAW-MJVIPROJSA-N -1 3 380.357 3.565 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000024882790 884084832 /nfs/dbraw/zinc/08/48/32/884084832.db2.gz YINAFQHSUWOHBX-UHFFFAOYSA-N -1 3 396.468 3.743 20 0 GHADHM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccc(CN2CCCC2)c1 ZINC000805842128 884172530 /nfs/dbraw/zinc/17/25/30/884172530.db2.gz WAQYSQQZICHQOT-UHFFFAOYSA-N -1 3 394.496 3.554 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(CC)c3c2)c1 ZINC000475820554 884255542 /nfs/dbraw/zinc/25/55/42/884255542.db2.gz WDRGLXNQEWLDJR-UHFFFAOYSA-N -1 3 393.852 3.832 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC[C@@H](C)c2ccccc2)cc1OC ZINC000130185748 884293471 /nfs/dbraw/zinc/29/34/71/884293471.db2.gz FBAIFMLYAWKOPU-OAHLLOKOSA-N -1 3 390.505 3.979 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c(F)c1 ZINC000476237010 884305583 /nfs/dbraw/zinc/30/55/83/884305583.db2.gz NJAQVUSRASTATC-UHFFFAOYSA-N -1 3 377.441 3.839 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000227904121 884320085 /nfs/dbraw/zinc/32/00/85/884320085.db2.gz GFDWSMMIEIHKKW-CZUORRHYSA-N -1 3 389.293 3.720 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319658 884445554 /nfs/dbraw/zinc/44/55/54/884445554.db2.gz UUKHUOXQALCHRP-MRXNPFEDSA-N -1 3 381.505 3.676 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1[O-] ZINC000666884058 884474422 /nfs/dbraw/zinc/47/44/22/884474422.db2.gz ZXCZMBYFUNFLER-UHFFFAOYSA-N -1 3 380.444 3.719 20 0 GHADHM CCCc1c(C(=O)Nc2[n-]nc3cc(C)n(CC)c(=O)c32)cnn1C1CCCC1 ZINC000898027115 884561621 /nfs/dbraw/zinc/56/16/21/884561621.db2.gz BAMSGEZJSLEWAW-UHFFFAOYSA-N -1 3 396.495 3.569 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCO[N-]C(=O)CCCc2ccccc2)C1 ZINC000842028145 884601185 /nfs/dbraw/zinc/60/11/85/884601185.db2.gz NKLBEFQLTZYEDY-GOSISDBHSA-N -1 3 376.497 3.704 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)NC)cc2)cc1 ZINC000105390897 884746943 /nfs/dbraw/zinc/74/69/43/884746943.db2.gz MYVVNBQTSCIWBF-HNNXBMFYSA-N -1 3 390.505 3.516 20 0 GHADHM C[C@@H](Oc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)C(F)(F)F ZINC000806554520 884803529 /nfs/dbraw/zinc/80/35/29/884803529.db2.gz VOGMHZZSNDSDJN-UXEDPAHQSA-N -1 3 376.334 3.739 20 0 GHADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(Oc2cccnc2)cc1 ZINC000806554680 884807216 /nfs/dbraw/zinc/80/72/16/884807216.db2.gz XWDHYILOHMTESU-HBBMIWKISA-N -1 3 385.423 3.836 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000032632587 884828901 /nfs/dbraw/zinc/82/89/01/884828901.db2.gz BQESMKLEMYMFGB-UHFFFAOYSA-N -1 3 390.848 3.769 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000036104483 884842479 /nfs/dbraw/zinc/84/24/79/884842479.db2.gz VDKVKEOQNHZQTJ-UHFFFAOYSA-N -1 3 397.909 3.589 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 ZINC000761852841 884882404 /nfs/dbraw/zinc/88/24/04/884882404.db2.gz LGPNGKAUCKPJDS-UHFFFAOYSA-N -1 3 394.431 3.621 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)n1 ZINC000761854125 884883969 /nfs/dbraw/zinc/88/39/69/884883969.db2.gz WZPWJJBZBICTMR-UHFFFAOYSA-N -1 3 394.431 3.621 20 0 GHADHM CCOc1cc(CN2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc(Cl)c1[O-] ZINC000898370379 884894313 /nfs/dbraw/zinc/89/43/13/884894313.db2.gz BCIIZFPLKCBXMU-UHFFFAOYSA-N -1 3 392.814 3.857 20 0 GHADHM CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CC(C(=O)[O-])C2)cc1 ZINC000263532748 885093316 /nfs/dbraw/zinc/09/33/16/885093316.db2.gz XNPLIQDOZCPMGL-UHFFFAOYSA-N -1 3 391.471 3.843 20 0 GHADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)C[C@H](C)C(=O)[O-] ZINC000263537222 885108516 /nfs/dbraw/zinc/10/85/16/885108516.db2.gz ZZDOBJZYTLXWBZ-ZDUSSCGKSA-N -1 3 394.313 3.911 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000106749340 885151658 /nfs/dbraw/zinc/15/16/58/885151658.db2.gz DXKXIJKKOLGFBN-UHFFFAOYSA-N -1 3 391.140 3.568 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000106749340 885151660 /nfs/dbraw/zinc/15/16/60/885151660.db2.gz DXKXIJKKOLGFBN-UHFFFAOYSA-N -1 3 391.140 3.568 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC12CCCCC2 ZINC000532422014 885179186 /nfs/dbraw/zinc/17/91/86/885179186.db2.gz QOAPGYVFGYXILF-GFCCVEGCSA-N -1 3 390.427 3.986 20 0 GHADHM CSc1c(F)cccc1[N-]C(=O)c1nnn(-c2ccc(F)c(F)c2)c1C ZINC001130857617 885267495 /nfs/dbraw/zinc/26/74/95/885267495.db2.gz HOJRWJVGLJGMGI-UHFFFAOYSA-N -1 3 378.379 3.967 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(Br)ncc1Cl ZINC000807158690 885268289 /nfs/dbraw/zinc/26/82/89/885268289.db2.gz ZVZPTUOTUHHSOJ-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](c3ccc(C)cc3)C3CC3)n[n-]2)o1 ZINC000919326737 885336124 /nfs/dbraw/zinc/33/61/24/885336124.db2.gz CJCAUSOVOXYXGB-OAQYLSRUSA-N -1 3 393.443 3.711 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](c3ccc(C)cc3)C3CC3)[n-]n2)o1 ZINC000919326737 885336145 /nfs/dbraw/zinc/33/61/45/885336145.db2.gz CJCAUSOVOXYXGB-OAQYLSRUSA-N -1 3 393.443 3.711 20 0 GHADHM CCCC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)Nc1cc(C)on1 ZINC000919329762 885350632 /nfs/dbraw/zinc/35/06/32/885350632.db2.gz UGWPPLIYODIXJI-INIZCTEOSA-N -1 3 386.408 3.629 20 0 GHADHM CCCC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(=O)Nc1cc(C)on1 ZINC000919329762 885350653 /nfs/dbraw/zinc/35/06/53/885350653.db2.gz UGWPPLIYODIXJI-INIZCTEOSA-N -1 3 386.408 3.629 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000118310371 885583406 /nfs/dbraw/zinc/58/34/06/885583406.db2.gz RYDULNWOFNVICA-UHFFFAOYSA-N -1 3 397.740 3.770 20 0 GHADHM COc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)cc(OC)c1[O-] ZINC000131199160 885656561 /nfs/dbraw/zinc/65/65/61/885656561.db2.gz BONINUDWVUPDPF-UHFFFAOYSA-N -1 3 375.852 3.915 20 0 GHADHM O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1c[n-]c2ccccc2c1=O ZINC000108310486 885683798 /nfs/dbraw/zinc/68/37/98/885683798.db2.gz DQAWLHOCTYUTQV-UHFFFAOYSA-N -1 3 399.406 3.614 20 0 GHADHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)cc2o1 ZINC000476422836 885707809 /nfs/dbraw/zinc/70/78/09/885707809.db2.gz LLWNTECFFCTMNM-UHFFFAOYSA-N -1 3 395.170 3.507 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC000807813746 885735483 /nfs/dbraw/zinc/73/54/83/885735483.db2.gz MILIYCFVVWEOJO-YOEHRIQHSA-N -1 3 392.496 3.699 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1Cl ZINC000108639427 885779819 /nfs/dbraw/zinc/77/98/19/885779819.db2.gz GSJMYFKNQRCSMW-UHFFFAOYSA-N -1 3 391.880 3.762 20 0 GHADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000108639424 885780115 /nfs/dbraw/zinc/78/01/15/885780115.db2.gz DJEGTVXHTUNBGB-UHFFFAOYSA-N -1 3 397.500 3.679 20 0 GHADHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000915186971 885962545 /nfs/dbraw/zinc/96/25/45/885962545.db2.gz HTOFRUMWRWVYDJ-JYRVWZFOSA-N -1 3 389.473 3.771 20 0 GHADHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000915198911 885998074 /nfs/dbraw/zinc/99/80/74/885998074.db2.gz VYPIGOAGEIBHRP-NSHDSACASA-N -1 3 387.233 3.608 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1OC ZINC000476478292 886012074 /nfs/dbraw/zinc/01/20/74/886012074.db2.gz BALTUSHFBHDKRI-UHFFFAOYSA-N -1 3 393.440 3.574 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1ccc(C(F)F)cc1 ZINC000808094460 886012658 /nfs/dbraw/zinc/01/26/58/886012658.db2.gz PUYBJMGLHSOBKB-UHFFFAOYSA-N -1 3 384.473 3.978 20 0 GHADHM O=C(N[C@@H](CCO)c1ccccc1Br)c1cc([O-])ccc1Cl ZINC000498880513 886015383 /nfs/dbraw/zinc/01/53/83/886015383.db2.gz ONLAATGIFCEQGN-HNNXBMFYSA-N -1 3 384.657 3.662 20 0 GHADHM Cn1cc(-c2nc3ccccn3c2NC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000644018512 913002219 /nfs/dbraw/zinc/00/22/19/913002219.db2.gz APCPIWNQBSEWLF-UHFFFAOYSA-N -1 3 393.422 3.541 20 0 GHADHM O=C([N-]CCc1cccc2c1OC(F)(F)O2)C(F)(F)c1cc(F)cc(F)c1 ZINC001131173107 886088406 /nfs/dbraw/zinc/08/84/06/886088406.db2.gz XXOZAJJWMCOQEC-UHFFFAOYSA-N -1 3 391.267 3.737 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000195023570 886091933 /nfs/dbraw/zinc/09/19/33/886091933.db2.gz MGZQBEUKFLAVSA-UHFFFAOYSA-N -1 3 388.309 3.522 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1)c1ccco1 ZINC000476499736 886200059 /nfs/dbraw/zinc/20/00/59/886200059.db2.gz KZZHZCXXQCQLDF-SFHVURJKSA-N -1 3 399.468 3.567 20 0 GHADHM O=C(Nc1cc(Cl)c(Br)cc1F)c1cc2c(cc1[O-])OCO2 ZINC001168216432 886208101 /nfs/dbraw/zinc/20/81/01/886208101.db2.gz ZJHXMKPBDAZYBT-UHFFFAOYSA-N -1 3 388.576 3.928 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c([O-])c1 ZINC000114799055 886327201 /nfs/dbraw/zinc/32/72/01/886327201.db2.gz JMGCBDBKASGKIH-UHFFFAOYSA-N -1 3 377.362 3.853 20 0 GHADHM CC(C)OCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000115906967 886351960 /nfs/dbraw/zinc/35/19/60/886351960.db2.gz XFTAXFQHKVCTSD-LJQANCHMSA-N -1 3 382.460 3.561 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1C ZINC000057120212 886466963 /nfs/dbraw/zinc/46/69/63/886466963.db2.gz JQGSAVVALJVIFK-UHFFFAOYSA-N -1 3 375.475 3.631 20 0 GHADHM O=S(=O)([N-]C1CCCC1)c1csc(-c2ccc(Br)cc2)n1 ZINC000499045891 886483133 /nfs/dbraw/zinc/48/31/33/886483133.db2.gz PBYUFYIQJQGKBO-UHFFFAOYSA-N -1 3 387.324 3.794 20 0 GHADHM COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000862755175 886583272 /nfs/dbraw/zinc/58/32/72/886583272.db2.gz INUXJVXTDPPRIC-LJQANCHMSA-N -1 3 376.456 3.558 20 0 GHADHM CCNc1nc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cs1 ZINC000532636473 886631769 /nfs/dbraw/zinc/63/17/69/886631769.db2.gz AVFHGDPNLWAYEW-UHFFFAOYSA-N -1 3 395.510 3.532 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3C)n[n-]c21 ZINC000808673523 886668067 /nfs/dbraw/zinc/66/80/67/886668067.db2.gz DTPYTNBGXMDMDQ-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3C)[n-]nc21 ZINC000808673523 886668072 /nfs/dbraw/zinc/66/80/72/886668072.db2.gz DTPYTNBGXMDMDQ-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(Cl)nc3C(F)(F)F)n[n-]c21 ZINC000808675334 886670408 /nfs/dbraw/zinc/67/04/08/886670408.db2.gz DAQXUWWWTBTVKH-UHFFFAOYSA-N -1 3 385.729 3.996 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(Cl)nc3C(F)(F)F)[n-]nc21 ZINC000808675334 886670415 /nfs/dbraw/zinc/67/04/15/886670415.db2.gz DAQXUWWWTBTVKH-UHFFFAOYSA-N -1 3 385.729 3.996 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nnc(-c4cccc(C)c4)o3)n[n-]c21 ZINC000808673498 886670881 /nfs/dbraw/zinc/67/08/81/886670881.db2.gz QGDHDPRQBYTFCR-LBPRGKRZSA-N -1 3 378.388 3.848 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000808673498 886670890 /nfs/dbraw/zinc/67/08/90/886670890.db2.gz QGDHDPRQBYTFCR-LBPRGKRZSA-N -1 3 378.388 3.848 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)cc1F ZINC000132085622 886671863 /nfs/dbraw/zinc/67/18/63/886671863.db2.gz MMKBZPBPPMSJPM-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C(C)C)n[n-]c21 ZINC000808674851 886673391 /nfs/dbraw/zinc/67/33/91/886673391.db2.gz ZHBLPEDTURGWCV-ZDUSSCGKSA-N -1 3 381.432 3.879 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000808674851 886673400 /nfs/dbraw/zinc/67/34/00/886673400.db2.gz ZHBLPEDTURGWCV-ZDUSSCGKSA-N -1 3 381.432 3.879 20 0 GHADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1OC ZINC000132265930 886766646 /nfs/dbraw/zinc/76/66/46/886766646.db2.gz VACFKCYUJPBWFL-SECBINFHSA-N -1 3 391.823 3.675 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000762737818 886774101 /nfs/dbraw/zinc/77/41/01/886774101.db2.gz FTFQQHXHMVUECX-AWEZNQCLSA-N -1 3 382.451 3.893 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cc(N2CCCC2)c1 ZINC000612632289 886792551 /nfs/dbraw/zinc/79/25/51/886792551.db2.gz NXDUYODQFYXOFH-UHFFFAOYSA-N -1 3 393.256 3.824 20 0 GHADHM CC(C)c1ccoc1C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131497706 886899667 /nfs/dbraw/zinc/89/96/67/886899667.db2.gz GVUHBBNXNATRRE-UHFFFAOYSA-N -1 3 393.852 3.865 20 0 GHADHM Cc1csc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001131498105 886902151 /nfs/dbraw/zinc/90/21/51/886902151.db2.gz QGRAXXVHCYDUQC-UHFFFAOYSA-N -1 3 381.866 3.518 20 0 GHADHM Cc1csc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001131498105 886902159 /nfs/dbraw/zinc/90/21/59/886902159.db2.gz QGRAXXVHCYDUQC-UHFFFAOYSA-N -1 3 381.866 3.518 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(F)(c2ccccc2F)C1 ZINC000644195714 913099548 /nfs/dbraw/zinc/09/95/48/913099548.db2.gz LDTPTISHBPRPFW-UHFFFAOYSA-N -1 3 397.219 3.684 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000193614892 887007590 /nfs/dbraw/zinc/00/75/90/887007590.db2.gz MUKDTCSXEXCIPF-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM COc1cc(Br)cc2c1OCC(C(=O)Nc1ccc(F)c([O-])c1)=C2 ZINC001184260189 913104349 /nfs/dbraw/zinc/10/43/49/913104349.db2.gz JASYFMXIRKDHFE-UHFFFAOYSA-N -1 3 394.196 3.717 20 0 GHADHM O=C(CCOCc1ccccc1)[N-]OCc1ccc(F)cc1Br ZINC000781118858 887066612 /nfs/dbraw/zinc/06/66/12/887066612.db2.gz BHHUQMVCVHBHBG-UHFFFAOYSA-N -1 3 382.229 3.743 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)c(C)c1 ZINC000863400292 887085443 /nfs/dbraw/zinc/08/54/43/887085443.db2.gz CTOOEFMNEVSRJW-UHFFFAOYSA-N -1 3 378.450 3.681 20 0 GHADHM CC1(C)C(=O)Nc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc21 ZINC000532659344 887218350 /nfs/dbraw/zinc/21/83/50/887218350.db2.gz ZNNYNIAHAFEANO-UHFFFAOYSA-N -1 3 375.222 3.637 20 0 GHADHM C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc([O-])c3Br)CC2)C1 ZINC000459323547 887384877 /nfs/dbraw/zinc/38/48/77/887384877.db2.gz ISHNQIHFOREWGN-AWEZNQCLSA-N -1 3 395.341 3.625 20 0 GHADHM O=C(C=CC1CCCCC1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131707577 887441212 /nfs/dbraw/zinc/44/12/12/887441212.db2.gz MRBLDDMWICKGDR-IZZDOVSWSA-N -1 3 393.896 3.971 20 0 GHADHM O=C(/C=C/C1CCCCC1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131707577 887441217 /nfs/dbraw/zinc/44/12/17/887441217.db2.gz MRBLDDMWICKGDR-IZZDOVSWSA-N -1 3 393.896 3.971 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1C ZINC000032595724 887451551 /nfs/dbraw/zinc/45/15/51/887451551.db2.gz FZRMEQBMGGTHSP-UHFFFAOYSA-N -1 3 388.489 3.711 20 0 GHADHM CCOc1cc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC000459336238 887458011 /nfs/dbraw/zinc/45/80/11/887458011.db2.gz IYIMYKIHMVPTLY-UHFFFAOYSA-N -1 3 384.810 3.793 20 0 GHADHM CC(C)NC(=O)Cc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459347489 887534737 /nfs/dbraw/zinc/53/47/37/887534737.db2.gz RELHHCCDTSTKLC-UHFFFAOYSA-N -1 3 377.282 3.834 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1F ZINC000794608139 887673780 /nfs/dbraw/zinc/67/37/80/887673780.db2.gz HKFWKVPGLXKYKY-AATRIKPKSA-N -1 3 387.791 3.817 20 0 GHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000794615995 887680931 /nfs/dbraw/zinc/68/09/31/887680931.db2.gz FHOQFURAOSBFRA-VOTSOKGWSA-N -1 3 382.283 3.775 20 0 GHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cn1 ZINC000794615993 887681284 /nfs/dbraw/zinc/68/12/84/887681284.db2.gz FHOQFURAOSBFRA-SREVYHEPSA-N -1 3 382.283 3.775 20 0 GHADHM O=C1CCCN1c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459365411 887725652 /nfs/dbraw/zinc/72/56/52/887725652.db2.gz BGIWASVMHJDOOF-UHFFFAOYSA-N -1 3 375.266 3.571 20 0 GHADHM Cc1cc(C)cc(C[C@@H](NCc2nccc(C)c2Br)C(=O)[O-])c1 ZINC000864506806 887811657 /nfs/dbraw/zinc/81/16/57/887811657.db2.gz BBZPQOUZXUVTIP-OAHLLOKOSA-N -1 3 377.282 3.555 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cccc3cc(Br)cnc32)c2ccccc21 ZINC000794737747 887973976 /nfs/dbraw/zinc/97/39/76/887973976.db2.gz YSZPTZTYAUWZNH-GDNBJRDFSA-N -1 3 394.228 3.720 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000120302549 888085741 /nfs/dbraw/zinc/08/57/41/888085741.db2.gz XUPWXUQCXSBVNZ-NSHDSACASA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000120302549 888085755 /nfs/dbraw/zinc/08/57/55/888085755.db2.gz XUPWXUQCXSBVNZ-NSHDSACASA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1)C(F)(F)F ZINC000810069614 888156802 /nfs/dbraw/zinc/15/68/02/888156802.db2.gz GLFFBUJLYAYZLY-CYBMUJFWSA-N -1 3 383.439 3.701 20 0 GHADHM COc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(Br)c1 ZINC000865123079 888207168 /nfs/dbraw/zinc/20/71/68/888207168.db2.gz OMOLKQUPCMWBTR-UHFFFAOYSA-N -1 3 380.242 3.637 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000056009644 888331220 /nfs/dbraw/zinc/33/12/20/888331220.db2.gz GDYNDRLBRYMFFJ-CQSZACIVSA-N -1 3 380.444 3.817 20 0 GHADHM CCS[C@H](C)c1noc(CN(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000459378869 888494353 /nfs/dbraw/zinc/49/43/53/888494353.db2.gz ZPLHOIHOKAOEIQ-CYBMUJFWSA-N -1 3 385.493 3.678 20 0 GHADHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032592225 888513202 /nfs/dbraw/zinc/51/32/02/888513202.db2.gz IBELCJWSKOGXID-UHFFFAOYSA-N -1 3 391.251 3.635 20 0 GHADHM CCCN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000810551917 888611509 /nfs/dbraw/zinc/61/15/09/888611509.db2.gz GNXZHZAZYOYINA-ZDUSSCGKSA-N -1 3 382.888 3.907 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)cc2)cc(=O)[n-]1 ZINC000454302968 888735928 /nfs/dbraw/zinc/73/59/28/888735928.db2.gz DGZBDWZCJPZMIM-PXNSSMCTSA-N -1 3 386.496 3.568 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(=O)[n-]1 ZINC000916162771 888779907 /nfs/dbraw/zinc/77/99/07/888779907.db2.gz BDUDCLTXNWTNLC-GOSISDBHSA-N -1 3 385.514 3.639 20 0 GHADHM CCc1c(Cl)nc(-c2ccccc2)nc1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866290407 888818498 /nfs/dbraw/zinc/81/84/98/888818498.db2.gz XDJGIYZMOJHMIL-UHFFFAOYSA-N -1 3 397.866 3.540 20 0 GHADHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccsc1 ZINC000121123506 888954012 /nfs/dbraw/zinc/95/40/12/888954012.db2.gz QUWQLUWDFGPHRE-ZDUSSCGKSA-N -1 3 399.843 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ZINC001132539907 889040598 /nfs/dbraw/zinc/04/05/98/889040598.db2.gz QFCJZAKELWGRPA-JOCQHMNTSA-N -1 3 387.571 3.621 20 0 GHADHM O=C(COC(=O)c1cc2c(cccc2Cl)s1)[N-]C(=O)c1cccs1 ZINC000916490978 889055829 /nfs/dbraw/zinc/05/58/29/889055829.db2.gz RYUCCKPMGIAQLI-UHFFFAOYSA-N -1 3 379.846 3.730 20 0 GHADHM O=c1[n-]c(SC[C@H]2C[C@@]23CCOC3)nc2c1cnn2-c1cccc(Cl)c1 ZINC000916563026 889129237 /nfs/dbraw/zinc/12/92/37/889129237.db2.gz OEJXIQWTBIBKEL-ADLMAVQZSA-N -1 3 388.880 3.693 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C=CCC2)c(Br)c1 ZINC000849429596 889248832 /nfs/dbraw/zinc/24/88/32/889248832.db2.gz BQXXQDOTHOZOQU-SECBINFHSA-N -1 3 395.116 3.517 20 0 GHADHM CCCCN1C(=O)C[C@@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321553 913335291 /nfs/dbraw/zinc/33/52/91/913335291.db2.gz CSIGXPFPBDNIBH-LJQANCHMSA-N -1 3 399.318 3.840 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184657856 913345972 /nfs/dbraw/zinc/34/59/72/913345972.db2.gz MVTKZARCGALRGS-UHFFFAOYSA-N -1 3 398.406 3.522 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000811394138 889533413 /nfs/dbraw/zinc/53/34/13/889533413.db2.gz XOWMJGJKQCNRDN-GFCCVEGCSA-N -1 3 398.868 3.618 20 0 GHADHM Cn1cc([C@@H]([N-]C(=O)c2cc(C(F)(F)F)cc(Cl)n2)C(F)(F)F)cn1 ZINC000811465945 889627225 /nfs/dbraw/zinc/62/72/25/889627225.db2.gz LCYAPRDTCITWEV-SNVBAGLBSA-N -1 3 386.683 3.521 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000124661923 889714800 /nfs/dbraw/zinc/71/48/00/889714800.db2.gz VYHYDXCMWMFYQT-UHFFFAOYSA-N -1 3 383.864 3.840 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000124661923 889714814 /nfs/dbraw/zinc/71/48/14/889714814.db2.gz VYHYDXCMWMFYQT-UHFFFAOYSA-N -1 3 383.864 3.840 20 0 GHADHM O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000811549633 889737453 /nfs/dbraw/zinc/73/74/53/889737453.db2.gz KTCJALDTBODECE-PZJWPPBQSA-N -1 3 385.423 3.540 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1C ZINC000124956463 889827128 /nfs/dbraw/zinc/82/71/28/889827128.db2.gz NVCGKIJCYAYXLH-UHFFFAOYSA-N -1 3 380.441 3.542 20 0 GHADHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125270935 889932717 /nfs/dbraw/zinc/93/27/17/889932717.db2.gz ORNOINJTVPUCGE-UHFFFAOYSA-N -1 3 391.349 3.609 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2ccc(Br)cc2)CCC1 ZINC000125426138 889991870 /nfs/dbraw/zinc/99/18/70/889991870.db2.gz LGYHZBDHOQCCCB-UHFFFAOYSA-N -1 3 398.264 3.690 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(Br)cc2)CCC1 ZINC000125426138 889991886 /nfs/dbraw/zinc/99/18/86/889991886.db2.gz LGYHZBDHOQCCCB-UHFFFAOYSA-N -1 3 398.264 3.690 20 0 GHADHM O=c1[n-]c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nc2[nH]ncc21 ZINC000125499887 890018308 /nfs/dbraw/zinc/01/83/08/890018308.db2.gz YCSLXRLPSXSFDF-UHFFFAOYSA-N -1 3 393.350 3.612 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000122710974 890029306 /nfs/dbraw/zinc/02/93/06/890029306.db2.gz OHDJSCDXPNUTAF-NHYWBVRUSA-N -1 3 391.386 3.635 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)c1 ZINC000811822753 890036835 /nfs/dbraw/zinc/03/68/35/890036835.db2.gz LZSXWWRMSPPANV-UHFFFAOYSA-N -1 3 380.897 3.670 20 0 GHADHM Cc1nc([C@H]2CCOC2)sc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000870213685 890266847 /nfs/dbraw/zinc/26/68/47/890266847.db2.gz DUDFCRLVKTWJGQ-AWEZNQCLSA-N -1 3 397.456 3.646 20 0 GHADHM CN(CCCOc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126280562 890455002 /nfs/dbraw/zinc/45/50/02/890455002.db2.gz QSHVNBPJOIUHBO-UHFFFAOYSA-N -1 3 393.281 3.765 20 0 GHADHM COc1ccccc1CCN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126287929 890457899 /nfs/dbraw/zinc/45/78/99/890457899.db2.gz DECTUVPYEYDRAH-UHFFFAOYSA-N -1 3 393.281 3.547 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1)c1[n-]c(=O)ccc1Cl ZINC001184816043 913456109 /nfs/dbraw/zinc/45/61/09/913456109.db2.gz OIFUIKUJZJCIQQ-AEFFLSMTSA-N -1 3 380.831 3.525 20 0 GHADHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000644693991 913458460 /nfs/dbraw/zinc/45/84/60/913458460.db2.gz SYAGCPYMEWXZDG-CQSZACIVSA-N -1 3 381.259 3.518 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000497246271 890559125 /nfs/dbraw/zinc/55/91/25/890559125.db2.gz INRNUTWIVQZERK-UHFFFAOYSA-N -1 3 384.457 3.864 20 0 GHADHM O=C(CCc1nc2cc(Br)ccc2s1)[N-]OC/C=C/Cl ZINC000812401116 890584871 /nfs/dbraw/zinc/58/48/71/890584871.db2.gz VIFIODBETOWMDL-LZCJLJQNSA-N -1 3 375.675 3.792 20 0 GHADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)[N-]OCCCC(F)(F)F ZINC000871211801 890697047 /nfs/dbraw/zinc/69/70/47/890697047.db2.gz APJBHWZJSLRLOZ-UHFFFAOYSA-N -1 3 378.297 3.943 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212268 890697070 /nfs/dbraw/zinc/69/70/70/890697070.db2.gz NBVLKCIQTMTKSK-UHFFFAOYSA-N -1 3 376.375 3.966 20 0 GHADHM CC(C)OCCOCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000065914013 890767024 /nfs/dbraw/zinc/76/70/24/890767024.db2.gz HMAKHBDMAMKYEP-UHFFFAOYSA-N -1 3 380.444 3.722 20 0 GHADHM CCCn1cc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000127185277 890944142 /nfs/dbraw/zinc/94/41/42/890944142.db2.gz HNNCIFYHWCSRGF-UHFFFAOYSA-N -1 3 398.532 3.726 20 0 GHADHM O=C(Nc1ccn(CC(F)(F)F)n1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000127360385 891018887 /nfs/dbraw/zinc/01/88/87/891018887.db2.gz GLATTXQIFSCETK-UHFFFAOYSA-N -1 3 391.349 3.982 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000872163738 891187244 /nfs/dbraw/zinc/18/72/44/891187244.db2.gz LIZPTWOICUDLFQ-TWGQIWQCSA-N -1 3 397.475 3.693 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3cnc4ccccc4n3)c2)n1 ZINC000071931279 891237214 /nfs/dbraw/zinc/23/72/14/891237214.db2.gz MDAZQHHZLRDBLL-ZHACJKMWSA-N -1 3 397.438 3.594 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N=S(C)(C)=O)c2)c(C)c1 ZINC000872373185 891249633 /nfs/dbraw/zinc/24/96/33/891249633.db2.gz CINGWBPZBJMSRD-UHFFFAOYSA-N -1 3 382.507 3.554 20 0 GHADHM CCOc1ccc(Cl)cc1CCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000533710619 891250174 /nfs/dbraw/zinc/25/01/74/891250174.db2.gz SAFKAQQWRALLNQ-UHFFFAOYSA-N -1 3 398.894 3.935 20 0 GHADHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000872459090 891264742 /nfs/dbraw/zinc/26/47/42/891264742.db2.gz QHHGPKSGNCUEBS-SXBQZSJRSA-N -1 3 395.550 3.540 20 0 GHADHM CCOC(=O)C[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(F)cc1F ZINC001133618093 891292523 /nfs/dbraw/zinc/29/25/23/891292523.db2.gz HDBYQPXHARSNDB-KRWDZBQOSA-N -1 3 397.368 3.953 20 0 GHADHM CCOc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825654165 891470575 /nfs/dbraw/zinc/47/05/75/891470575.db2.gz QANOHJFGGORYPN-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM CCOc1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825654165 891470580 /nfs/dbraw/zinc/47/05/80/891470580.db2.gz QANOHJFGGORYPN-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM CCc1nc2cccc(F)c2n1CC(=O)Nc1cc(Br)ccc1[O-] ZINC001185007752 913574311 /nfs/dbraw/zinc/57/43/11/913574311.db2.gz PFIODFJTRCGMMN-UHFFFAOYSA-N -1 3 392.228 3.845 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccc(C)cc1)C1CC1 ZINC001185011676 913577627 /nfs/dbraw/zinc/57/76/27/913577627.db2.gz TUROGQIGZSTQKU-SFHVURJKSA-N -1 3 393.892 3.865 20 0 GHADHM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc2)c1 ZINC000497458079 891656368 /nfs/dbraw/zinc/65/63/68/891656368.db2.gz FIDWRRPZDCUWKU-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CC1(c2ccccc2OC)CCC1 ZINC001184989159 913589106 /nfs/dbraw/zinc/58/91/06/913589106.db2.gz OYXYDIGYXKAZMK-UHFFFAOYSA-N -1 3 387.407 3.777 20 0 GHADHM CS(=O)(=O)c1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1Cl ZINC000813533228 891741813 /nfs/dbraw/zinc/74/18/13/891741813.db2.gz QBFRLNUEMVOFDI-UHFFFAOYSA-N -1 3 381.862 3.916 20 0 GHADHM Cc1sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(C)cc1 ZINC000497553838 891884885 /nfs/dbraw/zinc/88/48/85/891884885.db2.gz UBTZJCHLYRQPDK-UHFFFAOYSA-N -1 3 376.459 3.676 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cnn1-c1cccc(C)c1 ZINC001133907181 891925066 /nfs/dbraw/zinc/92/50/66/891925066.db2.gz OZRAHZSONJXDAI-UHFFFAOYSA-N -1 3 376.420 3.764 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cnc(Cl)c(C(F)(F)F)c1 ZINC001185096896 913635015 /nfs/dbraw/zinc/63/50/15/913635015.db2.gz QWKYYFYKQVBLKV-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1nc(Br)sc1C ZINC001134048757 892212784 /nfs/dbraw/zinc/21/27/84/892212784.db2.gz SWFVLRHZVQOZQA-UHFFFAOYSA-N -1 3 391.193 3.531 20 0 GHADHM COc1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc(OC)c1[O-] ZINC000162379858 892262611 /nfs/dbraw/zinc/26/26/11/892262611.db2.gz KBMLRROFMGVXRG-UHFFFAOYSA-N -1 3 392.249 3.591 20 0 GHADHM Cc1nc(NC=C2C(=O)[N-]C(=O)c3ccccc32)sc1Cc1ccc(F)cc1 ZINC000917602341 892271605 /nfs/dbraw/zinc/27/16/05/892271605.db2.gz GKBZALJVXHPNOX-GZTJUZNOSA-N -1 3 393.443 3.904 20 0 GHADHM COc1cc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1OCCC(C)C ZINC000917605040 892275096 /nfs/dbraw/zinc/27/50/96/892275096.db2.gz YNTLHRSVZIJWQW-XMHGGMMESA-N -1 3 394.471 3.521 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000263318632 892522526 /nfs/dbraw/zinc/52/25/26/892522526.db2.gz JDPPZJGCVHGGPF-YPMHNXCESA-N -1 3 379.254 3.647 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c[n-]1 ZINC000814529556 892862199 /nfs/dbraw/zinc/86/21/99/892862199.db2.gz IWJFGUSKEDGMGM-UHFFFAOYSA-N -1 3 376.821 3.935 20 0 GHADHM Cn1nc(C(=O)[N-]c2c(F)ccc(Br)c2F)cc1C(F)(F)F ZINC001134628551 893136790 /nfs/dbraw/zinc/13/67/90/893136790.db2.gz PQHJNNDRGAYPJH-UHFFFAOYSA-N -1 3 384.102 3.732 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccoc4)n3)nc21 ZINC001134753497 893288569 /nfs/dbraw/zinc/28/85/69/893288569.db2.gz OLJSVSWTGATICM-UHFFFAOYSA-N -1 3 382.401 3.708 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)cc(Cl)n3)nc21 ZINC001134753397 893288808 /nfs/dbraw/zinc/28/88/08/893288808.db2.gz LSBZUWFBNMBZIC-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000918160584 893290535 /nfs/dbraw/zinc/29/05/35/893290535.db2.gz JRRDYLMAZBKOIX-HUUCEWRRSA-N -1 3 392.496 3.803 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CC(=O)c1cccs1 ZINC000533884829 893392195 /nfs/dbraw/zinc/39/21/95/893392195.db2.gz UXJXTTYDWQXJBW-SNVBAGLBSA-N -1 3 381.450 3.882 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459437191 893497102 /nfs/dbraw/zinc/49/71/02/893497102.db2.gz RDJZTFVJLXVRAN-JTQLQIEISA-N -1 3 378.270 3.682 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1csc([C@H](C)OC)n1 ZINC000934351249 893563871 /nfs/dbraw/zinc/56/38/71/893563871.db2.gz QZPHSOXIXLVQGW-VIFPVBQESA-N -1 3 390.839 3.921 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000069604432 893606884 /nfs/dbraw/zinc/60/68/84/893606884.db2.gz QGUMUHABHAQSOV-GFCCVEGCSA-N -1 3 391.345 3.608 20 0 GHADHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129553380 893616669 /nfs/dbraw/zinc/61/66/69/893616669.db2.gz IYTZEUMNEUQCPA-UHFFFAOYSA-N -1 3 394.468 3.594 20 0 GHADHM O=C([N-]CC1CN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1)C(F)(F)F ZINC000877776838 893806832 /nfs/dbraw/zinc/80/68/32/893806832.db2.gz CVTKWKDQWSGMTN-UHFFFAOYSA-N -1 3 389.830 3.574 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc2c(s1)CCC2 ZINC000563528123 893868022 /nfs/dbraw/zinc/86/80/22/893868022.db2.gz SSUIYWNTLRBWOI-QMMMGPOBSA-N -1 3 377.318 3.978 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000536924386 894137291 /nfs/dbraw/zinc/13/72/91/894137291.db2.gz IRAVECNXUOYDRR-NSHDSACASA-N -1 3 383.311 3.504 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1 ZINC000537038503 894223241 /nfs/dbraw/zinc/22/32/41/894223241.db2.gz PEWMPQRIEUZKFP-UHFFFAOYSA-N -1 3 385.445 3.525 20 0 GHADHM CC(C)(C)c1ccc(C2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)cc1 ZINC000878677459 894505326 /nfs/dbraw/zinc/50/53/26/894505326.db2.gz BIQURPUSUXDBLA-UHFFFAOYSA-N -1 3 381.520 3.932 20 0 GHADHM CC(C)CN(Cc1nc2c(c(=O)[n-]1)COCC2)c1ccc(C(F)(F)F)cc1 ZINC000878683440 894508559 /nfs/dbraw/zinc/50/85/59/894508559.db2.gz YJPVTCLSTBTFOW-UHFFFAOYSA-N -1 3 381.398 3.936 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000564159973 894665967 /nfs/dbraw/zinc/66/59/67/894665967.db2.gz VNHXYLDNRXOUAH-NSHDSACASA-N -1 3 395.640 3.873 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCO1 ZINC000778366653 894673414 /nfs/dbraw/zinc/67/34/14/894673414.db2.gz ZSMOQXQYYVAZMF-RYUDHWBXSA-N -1 3 379.254 3.811 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000878916406 894720407 /nfs/dbraw/zinc/72/04/07/894720407.db2.gz XDXWFXCEEIADGM-OAQYLSRUSA-N -1 3 399.878 3.977 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(Br)c1 ZINC001185485567 913904026 /nfs/dbraw/zinc/90/40/26/913904026.db2.gz UNPLONOKSNBREN-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cc4cccc(C)c4s3)CCCC2)no1 ZINC000645470014 913919047 /nfs/dbraw/zinc/91/90/47/913919047.db2.gz YGULXMMAZLRAPK-UHFFFAOYSA-N -1 3 377.491 3.649 20 0 GHADHM O=C([N-]CC1CCN(Cc2ccc(Sc3ccccn3)o2)CC1)C(F)(F)F ZINC000816598726 894962192 /nfs/dbraw/zinc/96/21/92/894962192.db2.gz NXSPUZSQWRDZPK-UHFFFAOYSA-N -1 3 399.438 3.716 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3C3CCOCC3)cc2)cc(=O)[n-]1 ZINC000537423586 894963971 /nfs/dbraw/zinc/96/39/71/894963971.db2.gz RUQCFBOVNDYBDD-IBGZPJMESA-N -1 3 382.464 3.581 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000816838572 895097163 /nfs/dbraw/zinc/09/71/63/895097163.db2.gz FOLNYMJCZDBWDN-SFHVURJKSA-N -1 3 379.378 3.997 20 0 GHADHM COC(=O)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000826118230 895187064 /nfs/dbraw/zinc/18/70/64/895187064.db2.gz YLJGEEWRFFSWQU-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000826118230 895187071 /nfs/dbraw/zinc/18/70/71/895187071.db2.gz YLJGEEWRFFSWQU-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM O=C([O-])C1(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1 ZINC000564743148 895219843 /nfs/dbraw/zinc/21/98/43/895219843.db2.gz LPMXEUWNFFHBFI-UHFFFAOYSA-N -1 3 386.395 3.552 20 0 GHADHM CC[C@H](CO)N(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000879742396 895265397 /nfs/dbraw/zinc/26/53/97/895265397.db2.gz WFWPDNJWXRAMCI-MRXNPFEDSA-N -1 3 377.444 3.855 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1C ZINC000565037255 895361468 /nfs/dbraw/zinc/36/14/68/895361468.db2.gz ZCPYQSDGUNGVTK-LBPRGKRZSA-N -1 3 381.398 3.623 20 0 GHADHM COc1ccccc1[C@@H](CNc1c(C(=O)[O-])cnc2c(OC)cccc21)N(C)C ZINC000565037951 895363535 /nfs/dbraw/zinc/36/35/35/895363535.db2.gz JWGBNLXGLXGKNJ-QGZVFWFLSA-N -1 3 395.459 3.665 20 0 GHADHM COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[N-]OCCC2CC2)cc1 ZINC000817379745 895553370 /nfs/dbraw/zinc/55/33/70/895553370.db2.gz ZOHOBGZTNPPXDP-UHFFFAOYSA-N -1 3 391.471 3.938 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000880230940 895586249 /nfs/dbraw/zinc/58/62/49/895586249.db2.gz QSCFJARWSQAAMI-VHSXEESVSA-N -1 3 381.420 3.803 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826155576 895658621 /nfs/dbraw/zinc/65/86/21/895658621.db2.gz UXKLUAGDSGEPOY-CYBMUJFWSA-N -1 3 399.426 3.799 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826155576 895658626 /nfs/dbraw/zinc/65/86/26/895658626.db2.gz UXKLUAGDSGEPOY-CYBMUJFWSA-N -1 3 399.426 3.799 20 0 GHADHM COc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C(C)C ZINC000826180348 895835484 /nfs/dbraw/zinc/83/54/84/895835484.db2.gz CZBWNJBJBJUKKX-UHFFFAOYSA-N -1 3 395.463 3.579 20 0 GHADHM COc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C(C)C ZINC000826180348 895835493 /nfs/dbraw/zinc/83/54/93/895835493.db2.gz CZBWNJBJBJUKKX-UHFFFAOYSA-N -1 3 395.463 3.579 20 0 GHADHM CC(C)(C)n1ncc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1Br ZINC000823119729 914006824 /nfs/dbraw/zinc/00/68/24/914006824.db2.gz CTMFNJZMBQBDON-UHFFFAOYSA-N -1 3 398.208 3.523 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)c1 ZINC001136017074 895914405 /nfs/dbraw/zinc/91/44/05/895914405.db2.gz WOOBZJILIXZAAV-LJQANCHMSA-N -1 3 380.444 3.893 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Cl)cc1Cl ZINC001185687827 914019549 /nfs/dbraw/zinc/01/95/49/914019549.db2.gz WJZJPPVXTHIHRS-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM CCN(c1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1)C(C)C ZINC000818329374 896115193 /nfs/dbraw/zinc/11/51/93/896115193.db2.gz WGSMQVYNLKUOQN-SFHVURJKSA-N -1 3 375.513 3.579 20 0 GHADHM COC(=O)c1ccc([N-]C(=O)c2nc(Br)sc2Cl)s1 ZINC001136140882 896134641 /nfs/dbraw/zinc/13/46/41/896134641.db2.gz KPMHKOIXYDDDFG-UHFFFAOYSA-N -1 3 381.660 3.659 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCN(Cc2ccccc2)c2ccccc21 ZINC000128855897 896235479 /nfs/dbraw/zinc/23/54/79/896235479.db2.gz CEDNNGBGTJLFNC-UHFFFAOYSA-N -1 3 396.450 3.590 20 0 GHADHM O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cc([O-])ccc1Cl ZINC000566380382 896272143 /nfs/dbraw/zinc/27/21/43/896272143.db2.gz JKOHVQQNKYEHLW-UHFFFAOYSA-N -1 3 385.222 3.927 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)o1 ZINC000566554670 896376096 /nfs/dbraw/zinc/37/60/96/896376096.db2.gz AGYVRYJEAQSRFC-CABZTGNLSA-N -1 3 375.368 3.622 20 0 GHADHM CSc1ccc(C)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000826230181 896570536 /nfs/dbraw/zinc/57/05/36/896570536.db2.gz IDGQWRJQSCAOPD-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM CSc1ccc(C)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826230181 896570542 /nfs/dbraw/zinc/57/05/42/896570542.db2.gz IDGQWRJQSCAOPD-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM CSc1ccc(C)c(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826230079 896572228 /nfs/dbraw/zinc/57/22/28/896572228.db2.gz CKQZCGLMTRWIRF-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM CSc1ccc(C)c(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826230079 896572239 /nfs/dbraw/zinc/57/22/39/896572239.db2.gz CKQZCGLMTRWIRF-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826237451 896591779 /nfs/dbraw/zinc/59/17/79/896591779.db2.gz AIXCXPDPMXGPCN-LLVKDONJSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826237451 896591792 /nfs/dbraw/zinc/59/17/92/896591792.db2.gz AIXCXPDPMXGPCN-LLVKDONJSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826239889 896593920 /nfs/dbraw/zinc/59/39/20/896593920.db2.gz UCHFBNQYUGQEPN-INIZCTEOSA-N -1 3 380.839 3.522 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826239889 896593933 /nfs/dbraw/zinc/59/39/33/896593933.db2.gz UCHFBNQYUGQEPN-INIZCTEOSA-N -1 3 380.839 3.522 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000826243364 896599617 /nfs/dbraw/zinc/59/96/17/896599617.db2.gz GEIKKELSVSDPEM-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000826243364 896599626 /nfs/dbraw/zinc/59/96/26/896599626.db2.gz GEIKKELSVSDPEM-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM COc1cccc(-c2nc(CN3CC[C@@](C(=O)[O-])(C(C)C)C3)cs2)c1OC ZINC000566860600 896640566 /nfs/dbraw/zinc/64/05/66/896640566.db2.gz QQLKWWAEYFHVMK-FQEVSTJZSA-N -1 3 390.505 3.760 20 0 GHADHM C[C@@H]1[C@@H](CCC(=O)Nc2ccc(Br)cc2[O-])[C@H](C)Nc2ccnn21 ZINC001136220155 896716177 /nfs/dbraw/zinc/71/61/77/896716177.db2.gz RUGUUVYXQMDYOX-LOWVWBTDSA-N -1 3 393.285 3.761 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 ZINC001137177297 896752093 /nfs/dbraw/zinc/75/20/93/896752093.db2.gz JWVQYJPYODQCTF-UHFFFAOYSA-N -1 3 394.431 3.933 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc(C4CCCCC4)[nH]n3)c2)n1 ZINC000129668876 896809515 /nfs/dbraw/zinc/80/95/15/896809515.db2.gz INCLBJJDIYGLJF-UHFFFAOYSA-N -1 3 378.432 3.735 20 0 GHADHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)s1 ZINC000882477589 896824173 /nfs/dbraw/zinc/82/41/73/896824173.db2.gz QCTWPVPQNJSXHP-ZCFIWIBFSA-N -1 3 385.820 3.558 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(S[C@H](C)[C@H](C)O)n2)o1 ZINC000826272980 896834979 /nfs/dbraw/zinc/83/49/79/896834979.db2.gz KCHUTCKJMPRPHL-DTWKUNHWSA-N -1 3 399.398 3.710 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)c(C)c1 ZINC000882659992 896885603 /nfs/dbraw/zinc/88/56/03/896885603.db2.gz IKTLYENTMKLCHM-UHFFFAOYSA-N -1 3 390.480 3.788 20 0 GHADHM Cc1ccc(Cl)cc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826289221 896942052 /nfs/dbraw/zinc/94/20/52/896942052.db2.gz QMCABSTUDMIHHQ-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1ccc(Cl)cc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826289221 896942058 /nfs/dbraw/zinc/94/20/58/896942058.db2.gz QMCABSTUDMIHHQ-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)CCN4C)nc(=O)c2c1C ZINC000778575387 896987649 /nfs/dbraw/zinc/98/76/49/896987649.db2.gz XAPXYIRNXDPKQT-LLVKDONJSA-N -1 3 383.473 3.924 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCn4c(nnc4C4CCCC4)C3)c2c1 ZINC000567355682 897089225 /nfs/dbraw/zinc/08/92/25/897089225.db2.gz KWGXCVNZTFVPPY-UHFFFAOYSA-N -1 3 377.448 3.511 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000820116631 897171778 /nfs/dbraw/zinc/17/17/78/897171778.db2.gz KXWGTCFGHONZON-UGKGYDQZSA-N -1 3 390.491 3.517 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000820116631 897171787 /nfs/dbraw/zinc/17/17/87/897171787.db2.gz KXWGTCFGHONZON-UGKGYDQZSA-N -1 3 390.491 3.517 20 0 GHADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567462432 897178161 /nfs/dbraw/zinc/17/81/61/897178161.db2.gz UWGYHDQYSLGASU-ADLMAVQZSA-N -1 3 377.282 3.989 20 0 GHADHM CSc1ccc(CCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000567503532 897207370 /nfs/dbraw/zinc/20/73/70/897207370.db2.gz LWZGBMPGQKZUDB-UHFFFAOYSA-N -1 3 378.519 3.741 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000820260998 897243880 /nfs/dbraw/zinc/24/38/80/897243880.db2.gz LAMKKZRAYXPBGG-HNNXBMFYSA-N -1 3 398.536 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000820260998 897243885 /nfs/dbraw/zinc/24/38/85/897243885.db2.gz LAMKKZRAYXPBGG-HNNXBMFYSA-N -1 3 398.536 3.727 20 0 GHADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(C(F)(F)F)c(Br)c1 ZINC000567568648 897258367 /nfs/dbraw/zinc/25/83/67/897258367.db2.gz MBPMUEXVGARJIO-UHFFFAOYSA-N -1 3 390.221 3.635 20 0 GHADHM CO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000567692331 897340153 /nfs/dbraw/zinc/34/01/53/897340153.db2.gz VXUJSRLYCLUQFB-ROUUACIJSA-N -1 3 382.464 3.579 20 0 GHADHM CCCCC(=O)[C@H](C)NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185937503 914179245 /nfs/dbraw/zinc/17/92/45/914179245.db2.gz VNLKHDKHPRXLAS-KRWDZBQOSA-N -1 3 390.524 3.727 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820988627 897656080 /nfs/dbraw/zinc/65/60/80/897656080.db2.gz GUYIXFNICSHOQR-KXBFYZLASA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820988627 897656085 /nfs/dbraw/zinc/65/60/85/897656085.db2.gz GUYIXFNICSHOQR-KXBFYZLASA-N -1 3 376.464 3.914 20 0 GHADHM Cc1nc([C@@H](C)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)oc1-c1ccc(Cl)cc1 ZINC000289454337 914196892 /nfs/dbraw/zinc/19/68/92/914196892.db2.gz PJADGGRQVDZDRE-OCCSQVGLSA-N -1 3 387.871 3.655 20 0 GHADHM CN(C(=O)CCCCCCCNC(=O)c1ccccc1[O-])C1CC(F)(F)C1 ZINC001185929769 914209347 /nfs/dbraw/zinc/20/93/47/914209347.db2.gz KHZBTZIOXGKKHK-UHFFFAOYSA-N -1 3 382.451 3.719 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000821702215 898036396 /nfs/dbraw/zinc/03/63/96/898036396.db2.gz LSJXLRNTSKNDBU-MNZLEMJZSA-N -1 3 391.431 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000821702215 898036410 /nfs/dbraw/zinc/03/64/10/898036410.db2.gz LSJXLRNTSKNDBU-MNZLEMJZSA-N -1 3 391.431 3.652 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1)C(F)(F)F ZINC000289526035 914224908 /nfs/dbraw/zinc/22/49/08/914224908.db2.gz ODZDCOMVELWZCR-CYBMUJFWSA-N -1 3 379.382 3.762 20 0 GHADHM FC(F)(F)[C@@H](NCCSc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367374 898161876 /nfs/dbraw/zinc/16/18/76/898161876.db2.gz XCNZZGRUVYDETA-HNNXBMFYSA-N -1 3 379.411 3.852 20 0 GHADHM FC(F)(F)[C@@H](NCCSc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367374 898161889 /nfs/dbraw/zinc/16/18/89/898161889.db2.gz XCNZZGRUVYDETA-HNNXBMFYSA-N -1 3 379.411 3.852 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1 ZINC000043078274 898182817 /nfs/dbraw/zinc/18/28/17/898182817.db2.gz WYUOCGBEZXLTOU-AWNIVKPZSA-N -1 3 393.468 3.843 20 0 GHADHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000029186804 898194991 /nfs/dbraw/zinc/19/49/91/898194991.db2.gz FZESIOLYIDSFFR-UHFFFAOYSA-N -1 3 390.324 3.566 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000826368887 898204459 /nfs/dbraw/zinc/20/44/59/898204459.db2.gz FAZAMYBBAQTBGB-NSHDSACASA-N -1 3 394.788 3.928 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000826368887 898204475 /nfs/dbraw/zinc/20/44/75/898204475.db2.gz FAZAMYBBAQTBGB-NSHDSACASA-N -1 3 394.788 3.928 20 0 GHADHM Cc1ccc(SC2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC000822267225 898277086 /nfs/dbraw/zinc/27/70/86/898277086.db2.gz OWPZERVOVZYMTJ-UHFFFAOYSA-N -1 3 393.516 3.896 20 0 GHADHM Cc1ccc(SC2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC000822267225 898277103 /nfs/dbraw/zinc/27/71/03/898277103.db2.gz OWPZERVOVZYMTJ-UHFFFAOYSA-N -1 3 393.516 3.896 20 0 GHADHM COc1ccc(-c2nnc(SCc3ncccc3[O-])n2Cc2ccco2)cc1 ZINC000569189842 898402262 /nfs/dbraw/zinc/40/22/62/898402262.db2.gz NTHFVSVNEPPPJT-UHFFFAOYSA-N -1 3 394.456 3.988 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1)C(F)(F)F ZINC000289606944 914259873 /nfs/dbraw/zinc/25/98/73/914259873.db2.gz VKJGUHPQOVUUGR-CYBMUJFWSA-N -1 3 379.382 3.762 20 0 GHADHM O=C(NCc1cn2ccccc2n1)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000043477817 898618745 /nfs/dbraw/zinc/61/87/45/898618745.db2.gz XEXATOOAQVGPIY-UHFFFAOYSA-N -1 3 385.642 3.516 20 0 GHADHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000800153620 898673824 /nfs/dbraw/zinc/67/38/24/898673824.db2.gz SYJAWKMDEQTKLQ-UHFFFAOYSA-N -1 3 383.659 3.968 20 0 GHADHM CC(C)CNC(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1Cl ZINC000822863739 898695883 /nfs/dbraw/zinc/69/58/83/898695883.db2.gz SUPOOFCVHRRAMN-UHFFFAOYSA-N -1 3 388.777 3.720 20 0 GHADHM CC(C)CNC(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1Cl ZINC000822863739 898695889 /nfs/dbraw/zinc/69/58/89/898695889.db2.gz SUPOOFCVHRRAMN-UHFFFAOYSA-N -1 3 388.777 3.720 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@H]1C ZINC001136652927 898734651 /nfs/dbraw/zinc/73/46/51/898734651.db2.gz GXZVYURHYWTUBY-HZPDHXFCSA-N -1 3 382.460 3.704 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823074790 898835708 /nfs/dbraw/zinc/83/57/08/898835708.db2.gz WIWCNGGOSXSOSV-UHFFFAOYSA-N -1 3 395.466 3.610 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823074790 898835732 /nfs/dbraw/zinc/83/57/32/898835732.db2.gz WIWCNGGOSXSOSV-UHFFFAOYSA-N -1 3 395.466 3.610 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CCC=CCC1 ZINC001136700174 898958600 /nfs/dbraw/zinc/95/86/00/898958600.db2.gz AXYGBZGRCPFCDK-UHFFFAOYSA-N -1 3 376.400 3.762 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350682 898977754 /nfs/dbraw/zinc/97/77/54/898977754.db2.gz WYDXPFJSLFUJMF-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350682 898977759 /nfs/dbraw/zinc/97/77/59/898977759.db2.gz WYDXPFJSLFUJMF-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000289713774 914309688 /nfs/dbraw/zinc/30/96/88/914309688.db2.gz IBQHGPXGLQYWBI-UHFFFAOYSA-N -1 3 391.375 3.509 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000289713774 914309708 /nfs/dbraw/zinc/30/97/08/914309708.db2.gz IBQHGPXGLQYWBI-UHFFFAOYSA-N -1 3 391.375 3.509 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2N)n1 ZINC000155844398 899135975 /nfs/dbraw/zinc/13/59/75/899135975.db2.gz QRECUINMDPEEBA-MRVPVSSYSA-N -1 3 397.291 3.623 20 0 GHADHM Cc1ccc(Cc2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)s1 ZINC000570246589 899218597 /nfs/dbraw/zinc/21/85/97/899218597.db2.gz OHTWHAFDFWDHRT-UHFFFAOYSA-N -1 3 395.481 3.523 20 0 GHADHM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136800838 899312895 /nfs/dbraw/zinc/31/28/95/899312895.db2.gz GPTKTLNGCYOYSM-AREMUKBSSA-N -1 3 388.876 3.621 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCOc1ccccc1C)CC2 ZINC000570456893 899325300 /nfs/dbraw/zinc/32/53/00/899325300.db2.gz QJCYBNIBDDAJLW-LJQANCHMSA-N -1 3 399.487 3.855 20 0 GHADHM CCNC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C ZINC000570504878 899348182 /nfs/dbraw/zinc/34/81/82/899348182.db2.gz PUWPPFBFFHGLCR-UHFFFAOYSA-N -1 3 396.422 3.678 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1ccco1 ZINC000117915393 899398063 /nfs/dbraw/zinc/39/80/63/899398063.db2.gz XRTYDRLWROZLCI-SFHVURJKSA-N -1 3 388.489 3.661 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000824153922 899429794 /nfs/dbraw/zinc/42/97/94/899429794.db2.gz BWCVITOMGUTMAV-DHZHZOJOSA-N -1 3 379.382 3.964 20 0 GHADHM CC(C)[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824206580 899454641 /nfs/dbraw/zinc/45/46/41/899454641.db2.gz FKBDSVYCNCVORC-OAHLLOKOSA-N -1 3 391.884 3.546 20 0 GHADHM CC(C)[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824206580 899454647 /nfs/dbraw/zinc/45/46/47/899454647.db2.gz FKBDSVYCNCVORC-OAHLLOKOSA-N -1 3 391.884 3.546 20 0 GHADHM CC(C)CCS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824249666 899493324 /nfs/dbraw/zinc/49/33/24/899493324.db2.gz QWKXZYWGVRXANJ-HNNXBMFYSA-N -1 3 399.520 3.560 20 0 GHADHM CC(C)CCS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824249666 899493331 /nfs/dbraw/zinc/49/33/31/899493331.db2.gz QWKXZYWGVRXANJ-HNNXBMFYSA-N -1 3 399.520 3.560 20 0 GHADHM CC(C)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824255664 899496957 /nfs/dbraw/zinc/49/69/57/899496957.db2.gz SJODTQCBELGOTP-OAHLLOKOSA-N -1 3 378.480 3.892 20 0 GHADHM CC(C)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824255664 899496961 /nfs/dbraw/zinc/49/69/61/899496961.db2.gz SJODTQCBELGOTP-OAHLLOKOSA-N -1 3 378.480 3.892 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472425 899618297 /nfs/dbraw/zinc/61/82/97/899618297.db2.gz WBGOXHSDXJNIOS-UGSOOPFHSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472425 899618301 /nfs/dbraw/zinc/61/83/01/899618301.db2.gz WBGOXHSDXJNIOS-UGSOOPFHSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824477638 899622452 /nfs/dbraw/zinc/62/24/52/899622452.db2.gz BFMHGTZABQUJOS-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824477638 899622464 /nfs/dbraw/zinc/62/24/64/899622464.db2.gz BFMHGTZABQUJOS-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000824478456 899622653 /nfs/dbraw/zinc/62/26/53/899622653.db2.gz GYKWBUWTSXDIKO-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000824478456 899622662 /nfs/dbraw/zinc/62/26/62/899622662.db2.gz GYKWBUWTSXDIKO-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM C[C@H](NC(=O)C1SCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480552 899627068 /nfs/dbraw/zinc/62/70/68/899627068.db2.gz YDEUNRQMFWWPCD-LBPRGKRZSA-N -1 3 397.529 3.517 20 0 GHADHM C[C@H](NC(=O)C1SCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480552 899627072 /nfs/dbraw/zinc/62/70/72/899627072.db2.gz YDEUNRQMFWWPCD-LBPRGKRZSA-N -1 3 397.529 3.517 20 0 GHADHM C[C@H](NC(=O)N1CCC(F)(F)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824488598 899632246 /nfs/dbraw/zinc/63/22/46/899632246.db2.gz GLFFATAYHCOISJ-ZDUSSCGKSA-N -1 3 398.417 3.645 20 0 GHADHM C[C@H](NC(=O)N1CCC(F)(F)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824488598 899632248 /nfs/dbraw/zinc/63/22/48/899632248.db2.gz GLFFATAYHCOISJ-ZDUSSCGKSA-N -1 3 398.417 3.645 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000119688623 899663460 /nfs/dbraw/zinc/66/34/60/899663460.db2.gz GMNWMOMKYQEEOF-UHFFFAOYSA-N -1 3 377.872 3.646 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499398 899666661 /nfs/dbraw/zinc/66/66/61/899666661.db2.gz OTINQSGJTKXKDL-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499398 899666665 /nfs/dbraw/zinc/66/66/65/899666665.db2.gz OTINQSGJTKXKDL-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NC1(C)CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500666 899669706 /nfs/dbraw/zinc/66/97/06/899669706.db2.gz ZBTOTBHUORSYQH-AWEZNQCLSA-N -1 3 376.464 3.837 20 0 GHADHM C[C@H](NC(=O)NC1(C)CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500666 899669713 /nfs/dbraw/zinc/66/97/13/899669713.db2.gz ZBTOTBHUORSYQH-AWEZNQCLSA-N -1 3 376.464 3.837 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000134169643 899710437 /nfs/dbraw/zinc/71/04/37/899710437.db2.gz OGHGLLSHJSTXLJ-UHFFFAOYSA-N -1 3 386.423 3.759 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000332513142 899724839 /nfs/dbraw/zinc/72/48/39/899724839.db2.gz KVOWCEIUCPZZRM-ZDUSSCGKSA-N -1 3 380.370 3.964 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000332536653 899745850 /nfs/dbraw/zinc/74/58/50/899745850.db2.gz UUNYRSPWORKBMW-CABCVRRESA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824728401 899790249 /nfs/dbraw/zinc/79/02/49/899790249.db2.gz FYOKATBBLXEJNC-HUUCEWRRSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824728401 899790262 /nfs/dbraw/zinc/79/02/62/899790262.db2.gz FYOKATBBLXEJNC-HUUCEWRRSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000824757568 899809514 /nfs/dbraw/zinc/80/95/14/899809514.db2.gz XXQBDOYWLYOSOQ-ZETCQYMHSA-N -1 3 382.371 3.999 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000824757568 899809521 /nfs/dbraw/zinc/80/95/21/899809521.db2.gz XXQBDOYWLYOSOQ-ZETCQYMHSA-N -1 3 382.371 3.999 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)C1 ZINC000824897883 899866903 /nfs/dbraw/zinc/86/69/03/899866903.db2.gz CFGCKXKKNNXCDB-HNAYVOBHSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)C1 ZINC000824897883 899866913 /nfs/dbraw/zinc/86/69/13/899866913.db2.gz CFGCKXKKNNXCDB-HNAYVOBHSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824946969 899901204 /nfs/dbraw/zinc/90/12/04/899901204.db2.gz LQGDOLPOHANXPH-GJZGRUSLSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824946969 899901209 /nfs/dbraw/zinc/90/12/09/899901209.db2.gz LQGDOLPOHANXPH-GJZGRUSLSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@H]2CCCC[C@@H]12 ZINC000824977933 899923441 /nfs/dbraw/zinc/92/34/41/899923441.db2.gz SYEIXGLKGMJRAE-OSMZGAPFSA-N -1 3 392.410 3.511 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@H]2CCCC[C@@H]12 ZINC000824977933 899923452 /nfs/dbraw/zinc/92/34/52/899923452.db2.gz SYEIXGLKGMJRAE-OSMZGAPFSA-N -1 3 392.410 3.511 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000824976028 899923804 /nfs/dbraw/zinc/92/38/04/899923804.db2.gz LXUQETAZTZAHBW-BBRMVZONSA-N -1 3 381.867 3.786 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000824976028 899923814 /nfs/dbraw/zinc/92/38/14/899923814.db2.gz LXUQETAZTZAHBW-BBRMVZONSA-N -1 3 381.867 3.786 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c(C(=O)OCC)[n-]1 ZINC000571749192 899963795 /nfs/dbraw/zinc/96/37/95/899963795.db2.gz IBSSLFMTBLEYFU-QWRGUYRKSA-N -1 3 375.391 3.846 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000825182019 900014470 /nfs/dbraw/zinc/01/44/70/900014470.db2.gz HHBWLGFFVBFKEB-KPOBHBOGSA-N -1 3 391.475 3.669 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000825182019 900014474 /nfs/dbraw/zinc/01/44/74/900014474.db2.gz HHBWLGFFVBFKEB-KPOBHBOGSA-N -1 3 391.475 3.669 20 0 GHADHM CCCSCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825342194 900106368 /nfs/dbraw/zinc/10/63/68/900106368.db2.gz QRNMNJUSYMSYQS-AWEZNQCLSA-N -1 3 381.505 3.854 20 0 GHADHM CCCSCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825342194 900106377 /nfs/dbraw/zinc/10/63/77/900106377.db2.gz QRNMNJUSYMSYQS-AWEZNQCLSA-N -1 3 381.505 3.854 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390884 900123438 /nfs/dbraw/zinc/12/34/38/900123438.db2.gz OSBRVWJTFLWPTD-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390884 900123442 /nfs/dbraw/zinc/12/34/42/900123442.db2.gz OSBRVWJTFLWPTD-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000884515553 900152873 /nfs/dbraw/zinc/15/28/73/900152873.db2.gz LQVFWLOULPVTGF-ZDUSSCGKSA-N -1 3 399.834 3.665 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000884598759 900190360 /nfs/dbraw/zinc/19/03/60/900190360.db2.gz KDYYCIRVEUWELO-BMGDILEWSA-N -1 3 382.803 3.725 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1Br ZINC000573283493 900441086 /nfs/dbraw/zinc/44/10/86/900441086.db2.gz PTWHICFIGHDTEP-UHFFFAOYSA-N -1 3 396.093 3.682 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000573498187 900530457 /nfs/dbraw/zinc/53/04/57/900530457.db2.gz AKQBPZVEDDTQCX-UHFFFAOYSA-N -1 3 386.445 3.836 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1coc(-c2ccccc2Cl)n1 ZINC000826455054 900627307 /nfs/dbraw/zinc/62/73/07/900627307.db2.gz XDHHQOIXBYEWBS-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1coc(-c2ccccc2Cl)n1 ZINC000826455054 900627309 /nfs/dbraw/zinc/62/73/09/900627309.db2.gz XDHHQOIXBYEWBS-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccnc(C2CC2)c1 ZINC000826455377 900627596 /nfs/dbraw/zinc/62/75/96/900627596.db2.gz LMVRCEZCGQMDAK-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNc3cc(C)nc(C4CCC4)n3)c2)[n-]1 ZINC001186316286 914468508 /nfs/dbraw/zinc/46/85/08/914468508.db2.gz RQIXDTDKJZPUMB-UHFFFAOYSA-N -1 3 392.463 3.626 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNc3cc(C)nc(C4CCC4)n3)c2)n[n-]1 ZINC001186316286 914468512 /nfs/dbraw/zinc/46/85/12/914468512.db2.gz RQIXDTDKJZPUMB-UHFFFAOYSA-N -1 3 392.463 3.626 20 0 GHADHM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cc(C)nc(C4CCC4)n3)c2)n1 ZINC001186316286 914468520 /nfs/dbraw/zinc/46/85/20/914468520.db2.gz RQIXDTDKJZPUMB-UHFFFAOYSA-N -1 3 392.463 3.626 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C3CC3)nc2C)[nH][n-]1 ZINC000574838363 901027957 /nfs/dbraw/zinc/02/79/57/901027957.db2.gz QNTHKCRIORFLBC-UHFFFAOYSA-N -1 3 382.851 3.994 20 0 GHADHM CCOc1ccc(-c2csc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000575428188 901230308 /nfs/dbraw/zinc/23/03/08/901230308.db2.gz MQPMQTGOAMNIIT-UHFFFAOYSA-N -1 3 382.445 3.834 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000575752423 901274698 /nfs/dbraw/zinc/27/46/98/901274698.db2.gz QBYIIYUCXWIIPO-GOSISDBHSA-N -1 3 398.478 3.652 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H]3C3CC3)c2)cc1 ZINC000575877869 901420561 /nfs/dbraw/zinc/42/05/61/901420561.db2.gz LZNOLPWFZKDEDC-FQEVSTJZSA-N -1 3 384.501 3.729 20 0 GHADHM Cc1noc(C)c1CO[C@H]1CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C1 ZINC000575925439 901482763 /nfs/dbraw/zinc/48/27/63/901482763.db2.gz OEYXJLMZJLTLAA-HNNXBMFYSA-N -1 3 381.432 3.642 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001144361939 901901223 /nfs/dbraw/zinc/90/12/23/901901223.db2.gz GBMVLWDZURIZCS-HXUWFJFHSA-N -1 3 385.414 3.964 20 0 GHADHM Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845192320 901928681 /nfs/dbraw/zinc/92/86/81/901928681.db2.gz FOAOBNFURZANBF-UHFFFAOYSA-N -1 3 376.840 3.820 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845193780 901928782 /nfs/dbraw/zinc/92/87/82/901928782.db2.gz KTTWXCKPEOZDQR-NSHDSACASA-N -1 3 376.840 3.935 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000576586097 902111461 /nfs/dbraw/zinc/11/14/61/902111461.db2.gz NAKXHTZFXOZOKM-LSDHHAIUSA-N -1 3 394.443 3.637 20 0 GHADHM CCCCc1nc(NC(=O)c2cnn(-c3ccccc3F)c2)c(C(=O)OCC)[n-]1 ZINC000576884218 902332074 /nfs/dbraw/zinc/33/20/74/902332074.db2.gz HPALBKPKCANMIU-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144550580 902361371 /nfs/dbraw/zinc/36/13/71/902361371.db2.gz RINDWZQPMWWGAN-UHFFFAOYSA-N -1 3 398.453 3.961 20 0 GHADHM O=C1N(CC2CCCC2)CCC12CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144550596 902363313 /nfs/dbraw/zinc/36/33/13/902363313.db2.gz RVQLXKINBRYHIG-UHFFFAOYSA-N -1 3 378.463 3.675 20 0 GHADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)c(C)o1 ZINC000845874998 902479524 /nfs/dbraw/zinc/47/95/24/902479524.db2.gz NBOFYXREXKQYTQ-CQSZACIVSA-N -1 3 398.333 3.592 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144632383 902537807 /nfs/dbraw/zinc/53/78/07/902537807.db2.gz ILCJGGGZHIHHTJ-UHFFFAOYSA-N -1 3 388.439 3.762 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](CC1CCOCC1)c1cccc(F)c1 ZINC001144633384 902540360 /nfs/dbraw/zinc/54/03/60/902540360.db2.gz SFLVTTBSKLEUFO-LJQANCHMSA-N -1 3 375.415 3.887 20 0 GHADHM CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(Cc2sccc2C(=O)[O-])C1 ZINC001144680158 902621384 /nfs/dbraw/zinc/62/13/84/902621384.db2.gz KQTSRXCZJAJVTQ-AWEZNQCLSA-N -1 3 380.510 3.810 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000263866120 902625506 /nfs/dbraw/zinc/62/55/06/902625506.db2.gz GOPHTZMQHBKILE-KDOFPFPSSA-N -1 3 399.491 3.848 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000577642561 902995193 /nfs/dbraw/zinc/99/51/93/902995193.db2.gz LTCDAKZIKWANLW-UHFFFAOYSA-N -1 3 397.397 3.668 20 0 GHADHM COc1ccccc1N(CCO)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000577655464 903011315 /nfs/dbraw/zinc/01/13/15/903011315.db2.gz LZECQHZCNOIAII-UHFFFAOYSA-N -1 3 397.456 3.664 20 0 GHADHM O=S(=O)([N-]c1cnncc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC001186634126 914695360 /nfs/dbraw/zinc/69/53/60/914695360.db2.gz BKDFOSZMKQCWGI-UHFFFAOYSA-N -1 3 375.837 3.510 20 0 GHADHM CCOc1cccc(Cl)c1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000846912477 903329310 /nfs/dbraw/zinc/32/93/10/903329310.db2.gz ZBKYEQDQOKXZDA-LBPRGKRZSA-N -1 3 378.822 3.629 20 0 GHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000133094500 903345832 /nfs/dbraw/zinc/34/58/32/903345832.db2.gz ZAZZCVWXFNZHBC-VIFPVBQESA-N -1 3 378.841 3.525 20 0 GHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000133094500 903345841 /nfs/dbraw/zinc/34/58/41/903345841.db2.gz ZAZZCVWXFNZHBC-VIFPVBQESA-N -1 3 378.841 3.525 20 0 GHADHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265078656 903613945 /nfs/dbraw/zinc/61/39/45/903613945.db2.gz AFWGRNYZMYOLCP-OAQYLSRUSA-N -1 3 387.480 3.610 20 0 GHADHM COc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1OCc1cccnc1 ZINC000646665800 914760212 /nfs/dbraw/zinc/76/02/12/914760212.db2.gz QHBIDHMKCCGKGB-UHFFFAOYSA-N -1 3 390.399 3.503 20 0 GHADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccn1 ZINC001186758837 914770723 /nfs/dbraw/zinc/77/07/23/914770723.db2.gz YXQBCUSEAORQBV-UHFFFAOYSA-N -1 3 395.790 3.500 20 0 GHADHM CCCCCC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)OCC ZINC001186723049 914779693 /nfs/dbraw/zinc/77/96/93/914779693.db2.gz MYEOELBRKQBTRU-QGZVFWFLSA-N -1 3 377.453 3.535 20 0 GHADHM CCOc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1Cl ZINC000578746351 904094523 /nfs/dbraw/zinc/09/45/23/904094523.db2.gz OZIULZADFKYOGI-UHFFFAOYSA-N -1 3 393.852 3.827 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001148801031 904214215 /nfs/dbraw/zinc/21/42/15/904214215.db2.gz PBYWWZXBRPAGJW-UHFFFAOYSA-N -1 3 375.350 3.977 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001148962945 904259704 /nfs/dbraw/zinc/25/97/04/904259704.db2.gz XYDLJTPXSVQRRO-UHFFFAOYSA-N -1 3 392.390 3.591 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C1(c2ccccc2)CCCC1 ZINC000773084761 904416646 /nfs/dbraw/zinc/41/66/46/904416646.db2.gz AKRMAWKYEJJWSN-CQSZACIVSA-N -1 3 381.929 3.561 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C)s1 ZINC000290787973 914819597 /nfs/dbraw/zinc/81/95/97/914819597.db2.gz XCNZBYZZTGMGEY-DGCLKSJQSA-N -1 3 391.459 3.526 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCOCC)[C@@H]2CCc3ccccc32)c1 ZINC001171412492 904547088 /nfs/dbraw/zinc/54/70/88/904547088.db2.gz GMHHAJMGHCTQRL-HXUWFJFHSA-N -1 3 394.471 3.683 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000579479052 904637508 /nfs/dbraw/zinc/63/75/08/904637508.db2.gz NNTQEAWXGUDQTI-OAHLLOKOSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000290818971 914831422 /nfs/dbraw/zinc/83/14/22/914831422.db2.gz WPDZNAPHARAFJL-QWHCGFSZSA-N -1 3 397.397 3.594 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3SCC#N)c2)n1 ZINC000049303395 904694630 /nfs/dbraw/zinc/69/46/30/904694630.db2.gz IQRVPOGIGGPTSE-UHFFFAOYSA-N -1 3 390.468 3.867 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(F)cc4)cc3)ccc2N1 ZINC001186927419 914875716 /nfs/dbraw/zinc/87/57/16/914875716.db2.gz FNVMFGXJQHNRCH-UHFFFAOYSA-N -1 3 398.415 3.913 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171914540 905145270 /nfs/dbraw/zinc/14/52/70/905145270.db2.gz DKPMIYKYHPUPCX-DRXUAVOGSA-N -1 3 394.437 3.868 20 0 GHADHM FC(F)(F)c1nn[n-]c1-c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001212652880 905481693 /nfs/dbraw/zinc/48/16/93/905481693.db2.gz NDZSLCSZBUQSIQ-UHFFFAOYSA-N -1 3 394.538 3.956 20 0 GHADHM FC(F)(F)c1[n-]nnc1-c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001212652880 905481706 /nfs/dbraw/zinc/48/17/06/905481706.db2.gz NDZSLCSZBUQSIQ-UHFFFAOYSA-N -1 3 394.538 3.956 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC[C@@H]3CCOC3)cc2)cc1 ZINC000177597487 906174978 /nfs/dbraw/zinc/17/49/78/906174978.db2.gz GCIDOSVUNXUMDO-MRXNPFEDSA-N -1 3 388.489 3.551 20 0 GHADHM COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000628677638 906244451 /nfs/dbraw/zinc/24/44/51/906244451.db2.gz UYMRIVFHZQRSIO-HNNXBMFYSA-N -1 3 392.249 3.846 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000629029171 906455208 /nfs/dbraw/zinc/45/52/08/906455208.db2.gz OZHGWVRBJZJRSE-UHFFFAOYSA-N -1 3 378.350 3.568 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629387601 906759474 /nfs/dbraw/zinc/75/94/74/906759474.db2.gz NHABGWCCXNCQQE-UHFFFAOYSA-N -1 3 395.478 3.680 20 0 GHADHM C[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-] ZINC000629498880 906834677 /nfs/dbraw/zinc/83/46/77/906834677.db2.gz AFRDAZFKYSJWNA-OXJNMPFZSA-N -1 3 390.499 3.530 20 0 GHADHM C[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-] ZINC000629498883 906834827 /nfs/dbraw/zinc/83/48/27/906834827.db2.gz AFRDAZFKYSJWNA-OXQOHEQNSA-N -1 3 390.499 3.530 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)ccc1N ZINC001174163513 906854401 /nfs/dbraw/zinc/85/44/01/906854401.db2.gz YCRZLXCDKAPDNB-UHFFFAOYSA-N -1 3 381.457 3.630 20 0 GHADHM O=C(NC[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)c1ccccc1 ZINC000191298699 906858562 /nfs/dbraw/zinc/85/85/62/906858562.db2.gz DFYKFXRWPYFKMP-CQSZACIVSA-N -1 3 376.859 3.827 20 0 GHADHM O=S(=O)(NCc1ccccc1)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174250772 906903626 /nfs/dbraw/zinc/90/36/26/906903626.db2.gz SJIFRQXHMJNGSQ-UHFFFAOYSA-N -1 3 390.411 3.893 20 0 GHADHM O=S(=O)(c1cccc(Nc2nc3c(cccc3[O-])s2)c1)N1CCCC1 ZINC001174313870 906976401 /nfs/dbraw/zinc/97/64/01/906976401.db2.gz GMOQTDIBFQWUEC-UHFFFAOYSA-N -1 3 375.475 3.530 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)c1Br ZINC000629946685 907065104 /nfs/dbraw/zinc/06/51/04/907065104.db2.gz KKHZQACFXPDJSY-UHFFFAOYSA-N -1 3 377.164 3.764 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)c1Br ZINC000629946685 907065111 /nfs/dbraw/zinc/06/51/11/907065111.db2.gz KKHZQACFXPDJSY-UHFFFAOYSA-N -1 3 377.164 3.764 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)c(=O)[n-]1 ZINC000182248942 907169899 /nfs/dbraw/zinc/16/98/99/907169899.db2.gz QZJQWPTZEBLALY-GOSISDBHSA-N -1 3 379.863 3.625 20 0 GHADHM Cc1cc(Br)c(CNCCc2nc(C(=O)[O-])cs2)cc1Cl ZINC000630470432 907296320 /nfs/dbraw/zinc/29/63/20/907296320.db2.gz VOUBYQMMGBGWDR-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000183202749 907348789 /nfs/dbraw/zinc/34/87/89/907348789.db2.gz HLWKDPOTUOEVIW-UHFFFAOYSA-N -1 3 385.798 3.883 20 0 GHADHM Fc1c(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c(F)c1Br ZINC001175429320 907549126 /nfs/dbraw/zinc/54/91/26/907549126.db2.gz HLOFJVHREURBNK-UHFFFAOYSA-N -1 3 388.122 3.929 20 0 GHADHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193078408 908071803 /nfs/dbraw/zinc/07/18/03/908071803.db2.gz MPOZQGJVZSFXHI-LLVKDONJSA-N -1 3 380.275 3.808 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Br)ncc1Cl ZINC000779748733 908556152 /nfs/dbraw/zinc/55/61/52/908556152.db2.gz SMNSYAHZHVCKSI-UHFFFAOYSA-N -1 3 385.630 3.861 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177644906 908699209 /nfs/dbraw/zinc/69/92/09/908699209.db2.gz KOHFFYDVXYJLHM-UHFFFAOYSA-N -1 3 382.489 3.699 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)[n-]1 ZINC001177690286 908712392 /nfs/dbraw/zinc/71/23/92/908712392.db2.gz YLQOMIIBLZSNFY-LBPRGKRZSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)c[n-]1 ZINC001177690286 908712399 /nfs/dbraw/zinc/71/23/99/908712399.db2.gz YLQOMIIBLZSNFY-LBPRGKRZSA-N -1 3 397.456 3.621 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@H](C4CCC4)CC3)c(=O)c2c(OC)c1 ZINC000634525260 908747545 /nfs/dbraw/zinc/74/75/45/908747545.db2.gz SRKKJEIUVQWBKJ-HNNXBMFYSA-N -1 3 384.476 3.588 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)C=Cc1ccccc1Br ZINC000779807481 908801768 /nfs/dbraw/zinc/80/17/68/908801768.db2.gz YTYSGQOGROFZMO-VOTSOKGWSA-N -1 3 392.225 3.831 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000194190451 908865133 /nfs/dbraw/zinc/86/51/33/908865133.db2.gz GSRZQCIOFGQBAG-GASCZTMLSA-N -1 3 378.469 3.549 20 0 GHADHM O=C([O-])CCN(CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@@H]1CCCO1 ZINC000901678311 921462432 /nfs/dbraw/zinc/46/24/32/921462432.db2.gz PEBAEZNXAUTFBD-HNNXBMFYSA-N -1 3 386.275 3.725 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000779926620 909075162 /nfs/dbraw/zinc/07/51/62/909075162.db2.gz PGCLTWDAZIVTOK-RHSMWYFYSA-N -1 3 384.860 3.868 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000779926620 909075178 /nfs/dbraw/zinc/07/51/78/909075178.db2.gz PGCLTWDAZIVTOK-RHSMWYFYSA-N -1 3 384.860 3.868 20 0 GHADHM Cc1ccc2c(/C=C/C(=O)N3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)c[nH]c2c1 ZINC001178492199 909080403 /nfs/dbraw/zinc/08/04/03/909080403.db2.gz MRUZRYLMLIHWLX-LNENJAERSA-N -1 3 397.475 3.532 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)[n-]n1 ZINC001179076088 909376591 /nfs/dbraw/zinc/37/65/91/909376591.db2.gz PTVCPTFZVYOFDW-UHFFFAOYSA-N -1 3 392.387 3.629 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)n[n-]1 ZINC001179076088 909376602 /nfs/dbraw/zinc/37/66/02/909376602.db2.gz PTVCPTFZVYOFDW-UHFFFAOYSA-N -1 3 392.387 3.629 20 0 GHADHM Cc1nc2cccc(Cl)c2cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179182636 909397544 /nfs/dbraw/zinc/39/75/44/909397544.db2.gz GSJNKNNFZIQLTE-MRVPVSSYSA-N -1 3 383.761 3.825 20 0 GHADHM CCc1sc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1Br ZINC001179181993 909398211 /nfs/dbraw/zinc/39/82/11/909398211.db2.gz ACKQIKARJPCASA-RXMQYKEDSA-N -1 3 397.220 3.701 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C[C@@H](C)c2ccc(Br)cc2)n1 ZINC000636111790 909431148 /nfs/dbraw/zinc/43/11/48/909431148.db2.gz VSOAAAWPMNYJEX-LLVKDONJSA-N -1 3 392.297 3.798 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H](C(=O)Nc3cc([O-])cc(Cl)c3)CC[C@H]21 ZINC001179325828 909488437 /nfs/dbraw/zinc/48/84/37/909488437.db2.gz IMPHYPFZILDQNA-BZUAXINKSA-N -1 3 396.871 3.541 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318432 909537554 /nfs/dbraw/zinc/53/75/54/909537554.db2.gz VVUADARKMZNEIV-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319002 909537700 /nfs/dbraw/zinc/53/77/00/909537700.db2.gz ILGSCRZLAQVTFH-OAHLLOKOSA-N -1 3 375.856 3.577 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318752 909537800 /nfs/dbraw/zinc/53/78/00/909537800.db2.gz DZZSBQBEWDWENP-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM CC(C)(C)n1ncc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c1C(F)(F)F ZINC000636351229 909555333 /nfs/dbraw/zinc/55/53/33/909555333.db2.gz CSXHOFDJWBAMTN-VIFPVBQESA-N -1 3 389.403 3.612 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncccc2[O-])[C@@H]1c1ccccc1 ZINC001179528347 909562637 /nfs/dbraw/zinc/56/26/37/909562637.db2.gz YAVYRNQUDFGHEM-WBVHZDCISA-N -1 3 383.448 3.724 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 ZINC000636519276 909589008 /nfs/dbraw/zinc/58/90/08/909589008.db2.gz ODXAPVIXTKKCNN-UHFFFAOYSA-N -1 3 376.384 3.979 20 0 GHADHM CCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000901722089 921511100 /nfs/dbraw/zinc/51/11/00/921511100.db2.gz NXAVFZQOAYXYFR-NJBZPOFQSA-N -1 3 396.487 3.894 20 0 GHADHM COC(=O)c1cc(NC(=O)c2sc(C)nc2-c2ccccc2)c([O-])c(OC)c1 ZINC001179883793 909804098 /nfs/dbraw/zinc/80/40/98/909804098.db2.gz ORZROPHKXAMSFY-UHFFFAOYSA-N -1 3 398.440 3.872 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1CCc2cc(F)ccc21 ZINC001179954829 909865024 /nfs/dbraw/zinc/86/50/24/909865024.db2.gz NJMQASPFKLDYHK-QGZVFWFLSA-N -1 3 379.391 3.574 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1CCc2cc(F)ccc21 ZINC001179954829 909865035 /nfs/dbraw/zinc/86/50/35/909865035.db2.gz NJMQASPFKLDYHK-QGZVFWFLSA-N -1 3 379.391 3.574 20 0 GHADHM Cc1nnc([C@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)[nH]1 ZINC000268646854 909964996 /nfs/dbraw/zinc/96/49/96/909964996.db2.gz YUBWPIQNKWKPOR-HNNXBMFYSA-N -1 3 378.432 3.631 20 0 GHADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccc(F)cc1OC1CCOCC1 ZINC000795374059 910080494 /nfs/dbraw/zinc/08/04/94/910080494.db2.gz CAIPGGANVCEBDB-XFXZXTDPSA-N -1 3 395.427 3.935 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268981337 910092152 /nfs/dbraw/zinc/09/21/52/910092152.db2.gz JESMAXDUVSYXJL-HNAYVOBHSA-N -1 3 382.508 3.912 20 0 GHADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000901780695 921558085 /nfs/dbraw/zinc/55/80/85/921558085.db2.gz SFTPITVGQSFSGY-HNNXBMFYSA-N -1 3 383.414 3.724 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2Br)C12CCCC2 ZINC000901781211 921558384 /nfs/dbraw/zinc/55/83/84/921558384.db2.gz BKBNUYPMIDWNMK-HZPDHXFCSA-N -1 3 382.298 3.975 20 0 GHADHM CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCC2(CC1)OCCO2 ZINC001180541633 910230596 /nfs/dbraw/zinc/23/05/96/910230596.db2.gz BABOEGSLVSMSKJ-UHFFFAOYSA-N -1 3 383.444 3.990 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([O-])c1 ZINC000299679938 921576679 /nfs/dbraw/zinc/57/66/79/921576679.db2.gz REVFFEACMDAAHO-AWEZNQCLSA-N -1 3 397.406 3.610 20 0 GHADHM COc1cc(F)c(CC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c(F)c1 ZINC001181126536 910559383 /nfs/dbraw/zinc/55/93/83/910559383.db2.gz NXGXSZRGCYKBEM-UHFFFAOYSA-N -1 3 393.386 3.816 20 0 GHADHM O=C(OC[C@H]1CCC[C@@H](O)C1)c1n[n-]c(-c2ccccc2)c1Br ZINC000795477365 910583016 /nfs/dbraw/zinc/58/30/16/910583016.db2.gz UHXSKDYPHQUKAC-WCQYABFASA-N -1 3 379.254 3.547 20 0 GHADHM CCCc1csc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000271049845 910768729 /nfs/dbraw/zinc/76/87/29/910768729.db2.gz VYDCYTDELWKVAU-UHFFFAOYSA-N -1 3 383.477 3.533 20 0 GHADHM COc1ccc(F)cc1CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001181692380 910944608 /nfs/dbraw/zinc/94/46/08/910944608.db2.gz NZTRUEDUAHZARJ-UHFFFAOYSA-N -1 3 375.396 3.676 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@@H]1c1cccc(F)c1 ZINC000640295406 910957097 /nfs/dbraw/zinc/95/70/97/910957097.db2.gz VRSVWPGHRHCGGF-GFCCVEGCSA-N -1 3 376.741 3.639 20 0 GHADHM CN(C[C@@H]1CCc2ccccc21)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640302039 910960021 /nfs/dbraw/zinc/96/00/21/910960021.db2.gz IDDPREAEVLOCQB-LBPRGKRZSA-N -1 3 386.805 3.714 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H]2c2ccccc2Cl)[n-]1 ZINC000640308051 910961331 /nfs/dbraw/zinc/96/13/31/910961331.db2.gz CRXWMEMTCOTUNU-CYBMUJFWSA-N -1 3 383.677 3.627 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)[n-]1 ZINC000640311054 910963489 /nfs/dbraw/zinc/96/34/89/910963489.db2.gz JFKIXYNFXVUWNB-AWEZNQCLSA-N -1 3 399.239 3.642 20 0 GHADHM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NCc1ccn(-c2ccccc2)n1 ZINC000901842833 921628444 /nfs/dbraw/zinc/62/84/44/921628444.db2.gz LUBNAIBKUBKURT-AVRDEDQJSA-N -1 3 375.472 3.925 20 0 GHADHM O=C1C[C@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CN1C1CC1 ZINC000273895470 911091869 /nfs/dbraw/zinc/09/18/69/911091869.db2.gz LUKOVXMKBMRGSR-INIZCTEOSA-N -1 3 375.428 3.511 20 0 GHADHM O=C(c1cn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nn1)C1CCC1 ZINC000640795206 911191045 /nfs/dbraw/zinc/19/10/45/911191045.db2.gz RQJZWYKADBNEPX-UHFFFAOYSA-N -1 3 391.456 3.687 20 0 GHADHM O=C([O-])CCN(Cc1cccc(Br)c1)C[C@H]1CC1(Cl)Cl ZINC000901860030 921648320 /nfs/dbraw/zinc/64/83/20/921648320.db2.gz YHQCHUCJAYQVHC-LLVKDONJSA-N -1 3 381.097 3.920 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC001182272786 911383957 /nfs/dbraw/zinc/38/39/57/911383957.db2.gz QJGFWEKUSKUINI-SNVBAGLBSA-N -1 3 391.191 3.964 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC001182272786 911383969 /nfs/dbraw/zinc/38/39/69/911383969.db2.gz QJGFWEKUSKUINI-SNVBAGLBSA-N -1 3 391.191 3.964 20 0 GHADHM COc1c(F)c(F)ccc1-c1noc(-c2cnc(-c3ccccc3)[n-]c2=O)n1 ZINC001212895361 911411213 /nfs/dbraw/zinc/41/12/13/911411213.db2.gz OBBSGNLOYDJKDW-UHFFFAOYSA-N -1 3 382.326 3.853 20 0 GHADHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092262685 911461629 /nfs/dbraw/zinc/46/16/29/911461629.db2.gz FTNLYOHWJCIMSB-AWEZNQCLSA-N -1 3 390.333 3.808 20 0 GHADHM Cc1ccnc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1Br ZINC000901871317 921667138 /nfs/dbraw/zinc/66/71/38/921667138.db2.gz FCOHOPRDMXRXOO-DZGCQCFKSA-N -1 3 377.282 3.574 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000641980296 911643191 /nfs/dbraw/zinc/64/31/91/911643191.db2.gz QSIDTMJDVVGGPN-MRXNPFEDSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000641980296 911643199 /nfs/dbraw/zinc/64/31/99/911643199.db2.gz QSIDTMJDVVGGPN-MRXNPFEDSA-N -1 3 399.454 3.864 20 0 GHADHM COc1ccccc1CC1(C(=O)Nc2c([O-])cccc2C(C)=O)CCOCC1 ZINC001182491942 911842152 /nfs/dbraw/zinc/84/21/52/911842152.db2.gz XHZGOIRLKMDCET-UHFFFAOYSA-N -1 3 383.444 3.581 20 0 GHADHM Cn1nc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cc1C(F)(F)F ZINC001182655995 911956968 /nfs/dbraw/zinc/95/69/68/911956968.db2.gz HIZPRROAMKDKEO-UHFFFAOYSA-N -1 3 385.396 3.694 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3F)ccc2N1 ZINC001186930998 914880159 /nfs/dbraw/zinc/88/01/59/914880159.db2.gz ADSWCNMTTBAUMB-UHFFFAOYSA-N -1 3 393.198 3.567 20 0 GHADHM O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646882594 914900881 /nfs/dbraw/zinc/90/08/81/914900881.db2.gz ZPTOPMFTHOGROI-UHFFFAOYSA-N -1 3 384.301 3.859 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001187008235 914938879 /nfs/dbraw/zinc/93/88/79/914938879.db2.gz DVSQLVMUZYCGML-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001187008235 914938890 /nfs/dbraw/zinc/93/88/90/914938890.db2.gz DVSQLVMUZYCGML-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1ccccc1-c1nnn[n-]1 ZINC001187016641 914944802 /nfs/dbraw/zinc/94/48/02/914944802.db2.gz XEDOVLXLBYXTFZ-UHFFFAOYSA-N -1 3 397.429 3.787 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1ccccc1-c1nn[n-]n1 ZINC001187016641 914944813 /nfs/dbraw/zinc/94/48/13/914944813.db2.gz XEDOVLXLBYXTFZ-UHFFFAOYSA-N -1 3 397.429 3.787 20 0 GHADHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001187000074 914966843 /nfs/dbraw/zinc/96/68/43/914966843.db2.gz YXOKJCOECVGRKI-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001187000074 914966856 /nfs/dbraw/zinc/96/68/56/914966856.db2.gz YXOKJCOECVGRKI-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000291094002 914970963 /nfs/dbraw/zinc/97/09/63/914970963.db2.gz JQUPDUNJSSGYCZ-RYUDHWBXSA-N -1 3 391.821 3.501 20 0 GHADHM CCOCc1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1OC ZINC000901930376 921739431 /nfs/dbraw/zinc/73/94/31/921739431.db2.gz HDNHSIGENJSFHL-UHFFFAOYSA-N -1 3 390.505 3.766 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cnc2cc(C3CC3)nn2c1 ZINC001187043555 914978421 /nfs/dbraw/zinc/97/84/21/914978421.db2.gz LEPLZQMPUDUAEB-UHFFFAOYSA-N -1 3 397.287 3.855 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1F ZINC001187065773 914998632 /nfs/dbraw/zinc/99/86/32/914998632.db2.gz XCBWYPVVAWUFIR-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC001187065362 914998727 /nfs/dbraw/zinc/99/87/27/914998727.db2.gz MNPTURUZJFAUNY-UHFFFAOYSA-N -1 3 376.261 3.953 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)c2ccccc2)c([O-])c1 ZINC001187225458 915096340 /nfs/dbraw/zinc/09/63/40/915096340.db2.gz MMGKTQGJXXWCGN-HOTGVXAUSA-N -1 3 381.428 3.805 20 0 GHADHM CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001187578559 915373585 /nfs/dbraw/zinc/37/35/85/915373585.db2.gz PRHHGYYVMSNRFK-OAHLLOKOSA-N -1 3 393.480 3.542 20 0 GHADHM CC(C)c1cnn2cc([N-]S(=O)(=O)CCc3cccc4ccccc43)cnc12 ZINC001187617297 915386330 /nfs/dbraw/zinc/38/63/30/915386330.db2.gz RWJZYKIKZKTABP-UHFFFAOYSA-N -1 3 394.500 3.990 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC001188084355 915745278 /nfs/dbraw/zinc/74/52/78/915745278.db2.gz KAJWHERAECHCKY-UHFFFAOYSA-N -1 3 377.318 3.600 20 0 GHADHM O=c1[n-]nc(SC[C@H](O)c2ccc(Cl)cc2)n1CCc1ccccc1 ZINC001188156040 915810464 /nfs/dbraw/zinc/81/04/64/915810464.db2.gz YGVIXUPGXPUIJS-INIZCTEOSA-N -1 3 375.881 3.706 20 0 GHADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001188461374 915986973 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GHADHM CCO[C@H](C)c1nc(CN2CCN(Cc3c(F)ccc([O-])c3F)CC2)cs1 ZINC000295521257 917340122 /nfs/dbraw/zinc/34/01/22/917340122.db2.gz ZYEIOQSNIJFVCD-CYBMUJFWSA-N -1 3 397.491 3.542 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(SC(=O)N(C)C)c1)c1ccccc1 ZINC000295679199 917417471 /nfs/dbraw/zinc/41/74/71/917417471.db2.gz CBAQULHCGLFTAU-KRWDZBQOSA-N -1 3 394.518 3.590 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910134 917658602 /nfs/dbraw/zinc/65/86/02/917658602.db2.gz MGIQCYWBLMKALZ-JKSUJKDBSA-N -1 3 388.851 3.740 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c3ccccc32)s1 ZINC001190919988 917663344 /nfs/dbraw/zinc/66/33/44/917663344.db2.gz KPTZFCSATRROKF-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC001191007807 917703110 /nfs/dbraw/zinc/70/31/10/917703110.db2.gz QGKKXLNVQXAQCY-LJQANCHMSA-N -1 3 396.503 3.745 20 0 GHADHM COC(=O)C[C@](C)(NCc1cc(=O)oc2c(C)c([O-])ccc12)c1cccc(F)c1 ZINC000796501678 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381.432 3.873 20 0 GHADHM CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000115646997 919463687 /nfs/dbraw/zinc/46/36/87/919463687.db2.gz UQDIFGXPPHMJOY-GOEBONIOSA-N -1 3 381.432 3.873 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280245902 919574405 /nfs/dbraw/zinc/57/44/05/919574405.db2.gz IJFSZUJBNAPJNG-GDBMZVCRSA-N -1 3 384.476 3.921 20 0 GHADHM C[C@H](C(=O)[O-])C1(NCc2cc(Br)ccc2Br)CC1 ZINC000900039830 919766737 /nfs/dbraw/zinc/76/67/37/919766737.db2.gz DFXJUQFSOXZHDB-MRVPVSSYSA-N -1 3 377.076 3.555 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c([O-])c1 ZINC000800333934 919922465 /nfs/dbraw/zinc/92/24/65/919922465.db2.gz NEFMCBXUTAQZLX-SFHVURJKSA-N -1 3 397.475 3.530 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1c(F)cccc1F ZINC000800901559 920582487 /nfs/dbraw/zinc/58/24/87/920582487.db2.gz UZENHIHLKDYLIV-VIFPVBQESA-N -1 3 385.819 3.787 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccccc1Oc1ccncc1 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GHADHM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000803653918 923126881 /nfs/dbraw/zinc/12/68/81/923126881.db2.gz VIGWYNOMXHVAJN-DYVFJYSZSA-N -1 3 383.469 3.757 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903626890 923135696 /nfs/dbraw/zinc/13/56/96/923135696.db2.gz IXFOOSUGDSGCJO-YPMHNXCESA-N -1 3 396.178 3.941 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1CC(=O)[O-] ZINC000903629493 923139143 /nfs/dbraw/zinc/13/91/43/923139143.db2.gz IQILSRXEYJBYSA-DGCLKSJQSA-N -1 3 379.254 3.647 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000903917151 923398055 /nfs/dbraw/zinc/39/80/55/923398055.db2.gz RCXJUELDICBTEM-UHFFFAOYSA-N -1 3 386.517 3.793 20 0 GHADHM Cc1ccnc(C2CCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)n1 ZINC000903961268 923439662 /nfs/dbraw/zinc/43/96/62/923439662.db2.gz SZGXBQPSXCOTJZ-INIZCTEOSA-N -1 3 379.382 3.809 20 0 GHADHM C/C(=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000748390700 923609598 /nfs/dbraw/zinc/60/95/98/923609598.db2.gz LPDMAMDFTYIRRM-LUAWRHEFSA-N -1 3 397.374 3.670 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCCCCCC2)ccc1F ZINC000748644645 923771602 /nfs/dbraw/zinc/77/16/02/923771602.db2.gz ZQQWTIZCEURRHV-UHFFFAOYSA-N -1 3 384.517 3.697 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c(F)c1 ZINC000749143268 924046716 /nfs/dbraw/zinc/04/67/16/924046716.db2.gz OUSPCZSVWLDUCW-UHFFFAOYSA-N -1 3 393.436 3.642 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)c1 ZINC000826828084 924235012 /nfs/dbraw/zinc/23/50/12/924235012.db2.gz NTUBLDZPLLXJMB-UHFFFAOYSA-N -1 3 392.550 3.595 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000677288501 924313581 /nfs/dbraw/zinc/31/35/81/924313581.db2.gz KOYFKGPTARWRPZ-UHFFFAOYSA-N -1 3 396.443 3.664 20 0 GHADHM O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc([O-])cc(Br)c1 ZINC001137294330 924340302 /nfs/dbraw/zinc/34/03/02/924340302.db2.gz AIYUOJSEXJZBLC-CQSZACIVSA-N -1 3 392.274 3.833 20 0 GHADHM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3c(F)cccc3CO)ccc21 ZINC000677805062 924504171 /nfs/dbraw/zinc/50/41/71/924504171.db2.gz KDFVJBLPNBDVOF-UHFFFAOYSA-N -1 3 384.432 3.764 20 0 GHADHM COc1cc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc(OC)c1[O-] ZINC000677865361 924529384 /nfs/dbraw/zinc/52/93/84/924529384.db2.gz WEYZRDUSCPTJFO-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(Br)s1)C(=O)[O-] ZINC000409447461 924639332 /nfs/dbraw/zinc/63/93/32/924639332.db2.gz SWKQYNMRYCDYGM-KRWDZBQOSA-N -1 3 396.306 3.925 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000678314133 924720233 /nfs/dbraw/zinc/72/02/33/924720233.db2.gz PVUILEYSQUENGJ-UGSOOPFHSA-N -1 3 379.378 3.775 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1ccc(Cl)o1 ZINC000409544164 924741554 /nfs/dbraw/zinc/74/15/54/924741554.db2.gz QDMBUQYECJCQRM-UHFFFAOYSA-N -1 3 385.580 3.872 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(c3cncc(Br)c3)CC2)[nH][n-]1 ZINC000409608031 924812668 /nfs/dbraw/zinc/81/26/68/924812668.db2.gz SXGCCBGVLZRXPZ-UHFFFAOYSA-N -1 3 397.276 3.635 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001137344390 924888152 /nfs/dbraw/zinc/88/81/52/924888152.db2.gz KGLLUODEAUXFFC-DEOSSOPVSA-N -1 3 394.515 3.582 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1ccc(Br)cc1F ZINC000409905765 925112619 /nfs/dbraw/zinc/11/26/19/925112619.db2.gz HQEIXBHDFHPOGX-UHFFFAOYSA-N -1 3 386.233 3.692 20 0 GHADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)nc21 ZINC000410324512 925535154 /nfs/dbraw/zinc/53/51/54/925535154.db2.gz SMYPCKNLIXGFOX-UHFFFAOYSA-N -1 3 385.272 3.964 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000410339256 925551890 /nfs/dbraw/zinc/55/18/90/925551890.db2.gz JGVPTNBNQTYXFJ-UHFFFAOYSA-N -1 3 395.864 3.641 20 0 GHADHM CCOc1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc(Cl)c1[O-] ZINC000680816768 925619373 /nfs/dbraw/zinc/61/93/73/925619373.db2.gz QDEVBNSRTJDHOL-UHFFFAOYSA-N -1 3 380.231 3.904 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000681129804 925734580 /nfs/dbraw/zinc/73/45/80/925734580.db2.gz SUBJUVPFLCNFST-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000682870546 926278628 /nfs/dbraw/zinc/27/86/28/926278628.db2.gz QOPKMWQBLLYRTR-UHFFFAOYSA-N -1 3 384.423 3.580 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3csc4cc(C)ccc34)CC2)n[n-]1 ZINC000373687129 926337601 /nfs/dbraw/zinc/33/76/01/926337601.db2.gz VBURCXQQCLVXMT-UHFFFAOYSA-N -1 3 398.488 3.524 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3csc4cc(C)ccc34)CC2)[n-]1 ZINC000373687129 926337610 /nfs/dbraw/zinc/33/76/10/926337610.db2.gz VBURCXQQCLVXMT-UHFFFAOYSA-N -1 3 398.488 3.524 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000384000114 926359429 /nfs/dbraw/zinc/35/94/29/926359429.db2.gz KTJYDXZRMZMTRW-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=c1nc(CN(CC(F)(F)F)[C@@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000411425667 926377887 /nfs/dbraw/zinc/37/78/87/926377887.db2.gz OKZPDILEOSMLFA-SNVBAGLBSA-N -1 3 399.394 3.810 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC3(CCC3)c3c1cccc3F)c2=O ZINC000726195174 926585383 /nfs/dbraw/zinc/58/53/83/926585383.db2.gz PJOMQDJYOXDKKM-UHFFFAOYSA-N -1 3 378.403 3.758 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCCCC3)CC2)ccc1F ZINC000726514222 926718602 /nfs/dbraw/zinc/71/86/02/926718602.db2.gz IEPUMKBYQPTLGE-UHFFFAOYSA-N -1 3 396.528 3.699 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1[O-] ZINC000411939301 926924260 /nfs/dbraw/zinc/92/42/60/926924260.db2.gz HCFNKWKCEDGSBV-SFHVURJKSA-N -1 3 377.799 3.601 20 0 GHADHM COc1ccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC1CCCC1 ZINC000412004564 927002007 /nfs/dbraw/zinc/00/20/07/927002007.db2.gz RXOJJPHRYIIECK-UHFFFAOYSA-N -1 3 383.444 3.855 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1)O[C@H](C)C2 ZINC000412057709 927060933 /nfs/dbraw/zinc/06/09/33/927060933.db2.gz RWJKKCBGHBKEKV-JLBUNGTFSA-N -1 3 395.455 3.603 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000749581989 927201189 /nfs/dbraw/zinc/20/11/89/927201189.db2.gz DMDGUPITNGNFCS-LLVKDONJSA-N -1 3 399.285 3.740 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1[O-] ZINC000412308056 927319737 /nfs/dbraw/zinc/31/97/37/927319737.db2.gz NAJMZICFHXIIMH-VXGBXAGGSA-N -1 3 380.263 3.705 20 0 GHADHM CCn1ccnc1[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412317602 927327258 /nfs/dbraw/zinc/32/72/58/927327258.db2.gz XFOGPRMVANXKFU-MRXNPFEDSA-N -1 3 384.867 3.765 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4ccc(C)nc4)CC3)nc2)n1 ZINC000374681929 927405837 /nfs/dbraw/zinc/40/58/37/927405837.db2.gz WZCFTRSDLOQSTC-UHFFFAOYSA-N -1 3 375.476 3.894 20 0 GHADHM C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000750218181 927494657 /nfs/dbraw/zinc/49/46/57/927494657.db2.gz QJMYLTQRTCTSBT-VIFPVBQESA-N -1 3 394.301 3.638 20 0 GHADHM COc1cc(C(=O)NCC2(c3c(F)cccc3F)CCC2)cc(OC)c1[O-] ZINC000412604828 927628430 /nfs/dbraw/zinc/62/84/30/927628430.db2.gz SXXAKFUSSQZSQH-UHFFFAOYSA-N -1 3 377.387 3.539 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc2ccccc2c1)c1cccc(Cl)c1F ZINC000751155069 928052928 /nfs/dbraw/zinc/05/29/28/928052928.db2.gz OWMNVTLRCOXRNU-MRXNPFEDSA-N -1 3 379.840 3.644 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000751264746 928100237 /nfs/dbraw/zinc/10/02/37/928100237.db2.gz WXVDFEYRXTZQAJ-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000751345899 928145987 /nfs/dbraw/zinc/14/59/87/928145987.db2.gz UHCXBIXVPKDLQZ-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccc(F)cc2)c1Cl ZINC000751394960 928169457 /nfs/dbraw/zinc/16/94/57/928169457.db2.gz ZTDKHDTWPLQHNV-BMIGLBTASA-N -1 3 392.279 3.841 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1c(F)cccc1F ZINC000751469343 928206829 /nfs/dbraw/zinc/20/68/29/928206829.db2.gz XZWLJEHCISAHLA-BLLLJJGKSA-N -1 3 393.814 3.548 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1c(F)cccc1Cl ZINC000751472817 928209371 /nfs/dbraw/zinc/20/93/71/928209371.db2.gz FMZGAGKUSWYKQF-GLEZIHRCSA-N -1 3 396.242 3.672 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000752680069 928973886 /nfs/dbraw/zinc/97/38/86/928973886.db2.gz LLAGLUUTDRUOEU-GFCCVEGCSA-N -1 3 399.285 3.787 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(=O)[n-]1 ZINC000544274923 929008773 /nfs/dbraw/zinc/00/87/73/929008773.db2.gz VZLVMNMSEOFQSY-UHFFFAOYSA-N -1 3 388.349 3.897 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc([C@H](O)c3ccccn3)ccc2C)c(C)c1 ZINC000753021383 929161564 /nfs/dbraw/zinc/16/15/64/929161564.db2.gz VNWNVQLSSAQVPD-NRFANRHFSA-N -1 3 382.485 3.889 20 0 GHADHM O=C(Cc1csc(-c2ccoc2)n1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467713089 929328027 /nfs/dbraw/zinc/32/80/27/929328027.db2.gz LAIVKPBGJWLTBH-UHFFFAOYSA-N -1 3 386.383 3.675 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cnn1-c1ccccc1 ZINC000467713987 929329179 /nfs/dbraw/zinc/32/91/79/929329179.db2.gz OXIWZXPDDVSNSD-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467720468 929338011 /nfs/dbraw/zinc/33/80/11/929338011.db2.gz AEFNNUKQTQWWMS-UHFFFAOYSA-N -1 3 380.354 3.993 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1cc(C(F)(F)F)ccc1F ZINC000467789634 929422890 /nfs/dbraw/zinc/42/28/90/929422890.db2.gz UPSJQWPAYGLTNH-KGLIPLIRSA-N -1 3 391.390 3.503 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)c1Cl ZINC000467797983 929433373 /nfs/dbraw/zinc/43/33/73/929433373.db2.gz WSHSBFPITLZLMZ-KBPBESRZSA-N -1 3 388.320 3.961 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c1Cl ZINC000545927712 929685101 /nfs/dbraw/zinc/68/51/01/929685101.db2.gz XXLSEHPDZKSBMM-JKSUJKDBSA-N -1 3 378.321 3.785 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000757610742 929743932 /nfs/dbraw/zinc/74/39/32/929743932.db2.gz KXTAXZVQVMSRKS-LJQANCHMSA-N -1 3 396.384 3.828 20 0 GHADHM CC(C)(NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1Br ZINC000757664072 929763565 /nfs/dbraw/zinc/76/35/65/929763565.db2.gz WRCLXVBCXTZIIM-UHFFFAOYSA-N -1 3 386.249 3.763 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(c2cccc(F)c2)CCOCC1 ZINC000469404430 929853383 /nfs/dbraw/zinc/85/33/83/929853383.db2.gz UFBUKRCBBAPVJU-UHFFFAOYSA-N -1 3 375.415 3.815 20 0 GHADHM COc1cccc(-c2noc([C@@H](C)NC(=O)CCCc3ccc([O-])c(F)c3)n2)c1 ZINC000469408795 929856032 /nfs/dbraw/zinc/85/60/32/929856032.db2.gz WZXORKDKDYYTRM-CYBMUJFWSA-N -1 3 399.422 3.790 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)c2ccc(F)cc2)c1Cl ZINC000758444706 930048471 /nfs/dbraw/zinc/04/84/71/930048471.db2.gz SESRLSQMDXYEJY-MRXNPFEDSA-N -1 3 392.279 3.627 20 0 GHADHM Cc1cc(F)ccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000546497702 930221188 /nfs/dbraw/zinc/22/11/88/930221188.db2.gz WUEALUCGLPYTLG-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000759334952 930344720 /nfs/dbraw/zinc/34/47/20/930344720.db2.gz SVKDSCWBNCJBCM-SNVBAGLBSA-N -1 3 393.852 3.506 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cc1 ZINC000759484664 930382832 /nfs/dbraw/zinc/38/28/32/930382832.db2.gz NOIFHQCGMVIGGB-UHFFFAOYSA-N -1 3 384.505 3.578 20 0 GHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1cccc(Cl)c1 ZINC000780802297 930600341 /nfs/dbraw/zinc/60/03/41/930600341.db2.gz NLOGJZLLXFKDFK-CQSZACIVSA-N -1 3 399.921 3.645 20 0 GHADHM CCOc1cc(/C=C\C(=O)Nc2ccc(Br)cc2[O-])ccc1O ZINC000780887519 930627582 /nfs/dbraw/zinc/62/75/82/930627582.db2.gz HBEYBCXMCLOSQI-YWEYNIOJSA-N -1 3 378.222 3.911 20 0 GHADHM O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000780983683 930661896 /nfs/dbraw/zinc/66/18/96/930661896.db2.gz GEGBZQGQAZPAIT-QFIPXVFZSA-N -1 3 395.430 3.850 20 0 GHADHM Cc1ccc(N(C)C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000781084697 930695522 /nfs/dbraw/zinc/69/55/22/930695522.db2.gz POPSGBUSBIHIPN-UHFFFAOYSA-N -1 3 395.484 3.923 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(F)(F)F ZINC000547498237 931071540 /nfs/dbraw/zinc/07/15/40/931071540.db2.gz ZKLPUNNLXVHCQE-NSHDSACASA-N -1 3 381.750 3.951 20 0 GHADHM CC(C)(C)c1ccccc1OCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782127211 931096006 /nfs/dbraw/zinc/09/60/06/931096006.db2.gz KXFIGRYQGIGMRX-UHFFFAOYSA-N -1 3 382.416 3.862 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(F)cc1C ZINC000557124615 931221930 /nfs/dbraw/zinc/22/19/30/931221930.db2.gz TUAKJGJHYUTEOU-UHFFFAOYSA-N -1 3 389.427 3.665 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)ccc1Br ZINC000782565948 931271967 /nfs/dbraw/zinc/27/19/67/931271967.db2.gz RPUCVZPHWQESAC-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)c(=O)[n-]1 ZINC000782829926 931345230 /nfs/dbraw/zinc/34/52/30/931345230.db2.gz BAMFLUJJAWAZSN-UHFFFAOYSA-N -1 3 386.471 3.890 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H]2CCCc3ccc(Br)cc32)c(=O)[n-]1 ZINC000782854652 931353557 /nfs/dbraw/zinc/35/35/57/931353557.db2.gz YECOXAHXZXKSHH-INIZCTEOSA-N -1 3 391.265 3.725 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3noc(-c4ccccc4[O-])n3)cs2)o1 ZINC000782854605 931353710 /nfs/dbraw/zinc/35/37/10/931353710.db2.gz WTZQQALEJHOGIR-UHFFFAOYSA-N -1 3 383.385 3.824 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1N1CCOCC1 ZINC000782915589 931364954 /nfs/dbraw/zinc/36/49/54/931364954.db2.gz AWPQMDJWQVCDNB-UHFFFAOYSA-N -1 3 386.517 3.511 20 0 GHADHM O=C(CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)[N-]OCc1ccccc1 ZINC000783005029 931383970 /nfs/dbraw/zinc/38/39/70/931383970.db2.gz UPGZMYAWXAVCON-NRFANRHFSA-N -1 3 395.890 3.856 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000626223037 931414049 /nfs/dbraw/zinc/41/40/49/931414049.db2.gz LGNAENIMJFDDBL-INIZCTEOSA-N -1 3 385.464 3.915 20 0 GHADHM CCc1ccc([C@@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)s1 ZINC000697592886 931686809 /nfs/dbraw/zinc/68/68/09/931686809.db2.gz WWNHSCOWBLSYIN-GFCCVEGCSA-N -1 3 392.525 3.682 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(F)cc1F ZINC000557820935 931706227 /nfs/dbraw/zinc/70/62/27/931706227.db2.gz TZBRFHPXPVKKAD-GFCCVEGCSA-N -1 3 380.338 3.808 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(F)c1 ZINC000558136459 931854753 /nfs/dbraw/zinc/85/47/53/931854753.db2.gz APKKFXBVACKMQJ-UHFFFAOYSA-N -1 3 397.427 3.984 20 0 GHADHM Cc1ccc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000558571958 932080419 /nfs/dbraw/zinc/08/04/19/932080419.db2.gz WPXYXSDLNJRXQG-YCRPNKLZSA-N -1 3 397.496 3.758 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000558779128 932228902 /nfs/dbraw/zinc/22/89/02/932228902.db2.gz UFSWBPJYFNDBAL-CQSZACIVSA-N -1 3 376.425 3.900 20 0 GHADHM Cc1ccc([C@H](Cc2ccccc2Cl)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC000926812774 932316009 /nfs/dbraw/zinc/31/60/09/932316009.db2.gz LPPQYHNKXQLUCS-SFHVURJKSA-N -1 3 399.878 3.883 20 0 GHADHM CSc1c(F)cccc1C(=O)[N-]n1cnc2sc3c(c2c1=O)CCCC3 ZINC000797801852 932410792 /nfs/dbraw/zinc/41/07/92/932410792.db2.gz XRFMPWOEYAEROC-UHFFFAOYSA-N -1 3 389.477 3.582 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc2sccc2c([O-])c1 ZINC000798277232 932590134 /nfs/dbraw/zinc/59/01/34/932590134.db2.gz BGNQOEONKALXDG-UHFFFAOYSA-N -1 3 380.469 3.642 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000777631741 932619820 /nfs/dbraw/zinc/61/98/20/932619820.db2.gz ADDMODVXMDPXTF-UHFFFAOYSA-N -1 3 378.450 3.761 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798415451 932638651 /nfs/dbraw/zinc/63/86/51/932638651.db2.gz ZAWROFHRLHSJHW-CQSZACIVSA-N -1 3 391.478 3.836 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCC4(CCC4)O3)cc2)cc(=O)[n-]1 ZINC000927728092 932672482 /nfs/dbraw/zinc/67/24/82/932672482.db2.gz IWHBSIDTDASIEA-KRWDZBQOSA-N -1 3 382.464 3.771 20 0 GHADHM CC[C@@H](C)[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799020268 932853069 /nfs/dbraw/zinc/85/30/69/932853069.db2.gz HFRYKYKXTUPBHA-RHSMWYFYSA-N -1 3 384.442 3.733 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)c(F)cc1C ZINC000559961391 932981703 /nfs/dbraw/zinc/98/17/03/932981703.db2.gz WPURPIVWWPCNDQ-UHFFFAOYSA-N -1 3 393.436 3.704 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(F)(F)F ZINC000560007385 933016292 /nfs/dbraw/zinc/01/62/92/933016292.db2.gz NQFUQJZOEVLMTI-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1ccccc1C(NC(=O)CCc1c(C)nc[n-]c1=O)c1ccccc1C ZINC001116602194 933656928 /nfs/dbraw/zinc/65/69/28/933656928.db2.gz XMMKUWYYWYTZQB-UHFFFAOYSA-N -1 3 375.472 3.946 20 0 GHADHM COc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)cnn1-c1ccccc1 ZINC001116634983 933675930 /nfs/dbraw/zinc/67/59/30/933675930.db2.gz XBZOUOICKFSSDH-UHFFFAOYSA-N -1 3 383.458 3.713 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc2ncccc2c1 ZINC000561478943 934200640 /nfs/dbraw/zinc/20/06/40/934200640.db2.gz XOXQYNGPIOYJQM-NHCUHLMSSA-N -1 3 398.484 3.718 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)cccc1Cl)c1cccnc1C(F)(F)F ZINC000561501273 934216764 /nfs/dbraw/zinc/21/67/64/934216764.db2.gz CINCFQVTWOQWGQ-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931043375 934349493 /nfs/dbraw/zinc/34/94/93/934349493.db2.gz RDFWPEOZJBEFNW-INIZCTEOSA-N -1 3 383.496 3.659 20 0 GHADHM O=C([O-])C1CC2(C1)C[C@H](NCc1csc(-c3ccc(Cl)cc3)n1)CCO2 ZINC001119549069 934366863 /nfs/dbraw/zinc/36/68/63/934366863.db2.gz DPDDDUKUFWXRCL-SHBDPFAUSA-N -1 3 392.908 3.966 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1nc(-c3cccc(C(F)(F)F)c3)no1)C2 ZINC000931320925 934502567 /nfs/dbraw/zinc/50/25/67/934502567.db2.gz MOYMYGJIYYGDAD-SECBINFHSA-N -1 3 391.353 3.636 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cc3nccc(C(F)(F)F)n3n2)s1 ZINC001120809664 934517702 /nfs/dbraw/zinc/51/77/02/934517702.db2.gz HJFPFLSTPRGPQX-UHFFFAOYSA-N -1 3 384.387 3.585 20 0 GHADHM CCn1nc(C)c(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC001120897160 934532962 /nfs/dbraw/zinc/53/29/62/934532962.db2.gz RYDXALZZMFKXSK-UHFFFAOYSA-N -1 3 384.505 3.933 20 0 GHADHM Cc1ccccc1[C@@H](c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)C(C)C ZINC000561941113 934574542 /nfs/dbraw/zinc/57/45/42/934574542.db2.gz MAIDBTHPJGRGLY-KRWDZBQOSA-N -1 3 386.477 3.599 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2SCC)c1 ZINC000562239538 934779171 /nfs/dbraw/zinc/77/91/71/934779171.db2.gz DVLUGCMVJGJIAR-UHFFFAOYSA-N -1 3 397.493 3.844 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4c(c3)C(C)(C)CO4)cc2)n1 ZINC000562285922 934806331 /nfs/dbraw/zinc/80/63/31/934806331.db2.gz PNTOBZFKOVUYNS-UHFFFAOYSA-N -1 3 375.428 3.668 20 0 GHADHM CCC1(CC)CN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)CCS1 ZINC001122743442 934969055 /nfs/dbraw/zinc/96/90/55/934969055.db2.gz RUQTZMGEKHJMNT-UHFFFAOYSA-N -1 3 390.557 3.517 20 0 GHADHM COc1nnc(NC(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)[n-]1 ZINC001137567418 935590719 /nfs/dbraw/zinc/59/07/19/935590719.db2.gz BUYXJXPVTJESQL-UHFFFAOYSA-N -1 3 393.285 3.725 20 0 GHADHM COc1nc(NC(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)n[n-]1 ZINC001137567418 935590722 /nfs/dbraw/zinc/59/07/22/935590722.db2.gz BUYXJXPVTJESQL-UHFFFAOYSA-N -1 3 393.285 3.725 20 0 GHADHM COc1n[n-]c(NC(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)n1 ZINC001137567418 935590727 /nfs/dbraw/zinc/59/07/27/935590727.db2.gz BUYXJXPVTJESQL-UHFFFAOYSA-N -1 3 393.285 3.725 20 0 GHADHM CCC(CC)(CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C(F)(F)F ZINC000828356394 935618826 /nfs/dbraw/zinc/61/88/26/935618826.db2.gz VHGUZBYYKBVVAT-UHFFFAOYSA-N -1 3 376.325 3.905 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)ccc1N1CCCC1 ZINC000829667285 935842202 /nfs/dbraw/zinc/84/22/02/935842202.db2.gz FUYIHXUQQKRYKU-UHFFFAOYSA-N -1 3 384.501 3.915 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)c1 ZINC000829728510 935852327 /nfs/dbraw/zinc/85/23/27/935852327.db2.gz JJPPFNZAORBRGS-UHFFFAOYSA-N -1 3 391.489 3.582 20 0 GHADHM CCOC(=O)c1sc(SCc2noc(-c3ccccc3[O-])n2)nc1C ZINC000829775571 935859335 /nfs/dbraw/zinc/85/93/35/935859335.db2.gz UKOFDRMWDPYUPH-UHFFFAOYSA-N -1 3 377.447 3.676 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c([O-])c1 ZINC001137938027 935880408 /nfs/dbraw/zinc/88/04/08/935880408.db2.gz RYZXPXSHDYRLDI-IDHHARJASA-N -1 3 377.481 3.985 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[n-]n1 ZINC001137978205 935903464 /nfs/dbraw/zinc/90/34/64/935903464.db2.gz BIJZBRAEWUPNIZ-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC001137978205 935903469 /nfs/dbraw/zinc/90/34/69/935903469.db2.gz BIJZBRAEWUPNIZ-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM Cc1cccc([C@H](NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])c1C ZINC000908881116 939343670 /nfs/dbraw/zinc/34/36/70/939343670.db2.gz BYZNOADGKJTDEL-CUWPLCDZSA-N -1 3 395.503 3.564 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000908881071 939343842 /nfs/dbraw/zinc/34/38/42/939343842.db2.gz AKINZMRNHPAHHX-TVTNDZMWSA-N -1 3 387.524 3.545 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1N[C@@H](C1CCC1)C1CCCC1 ZINC001573279238 946634809 /nfs/dbraw/zinc/63/48/09/946634809.db2.gz FGTNPYLFHMJDOU-CQSZACIVSA-N -1 3 377.290 3.795 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1N[C@@H](C1CCC1)C1CCCC1 ZINC001573279238 946634817 /nfs/dbraw/zinc/63/48/17/946634817.db2.gz FGTNPYLFHMJDOU-CQSZACIVSA-N -1 3 377.290 3.795 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NC[C@H]2CSc3ccccc32)c1 ZINC001573279365 946638784 /nfs/dbraw/zinc/63/87/84/946638784.db2.gz GSUXPBAMBPIFBI-JTQLQIEISA-N -1 3 388.294 3.931 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NC[C@H]2CSc3ccccc32)c1 ZINC001573279365 946638792 /nfs/dbraw/zinc/63/87/92/946638792.db2.gz GSUXPBAMBPIFBI-JTQLQIEISA-N -1 3 388.294 3.931 20 0 GHADHM Brc1cnc(N[C@H]2CCCCC23CCCC3)c(-c2nnn[n-]2)c1 ZINC001573280138 946655493 /nfs/dbraw/zinc/65/54/93/946655493.db2.gz NQQTUCKDIRJNSR-ZDUSSCGKSA-N -1 3 377.290 3.939 20 0 GHADHM Brc1cnc(N[C@H]2CCCCC23CCCC3)c(-c2nn[n-]n2)c1 ZINC001573280138 946655496 /nfs/dbraw/zinc/65/54/96/946655496.db2.gz NQQTUCKDIRJNSR-ZDUSSCGKSA-N -1 3 377.290 3.939 20 0 GHADHM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573365115 947730762 /nfs/dbraw/zinc/73/07/62/947730762.db2.gz LEGJLPXGMRLZFZ-ACCUITESSA-N -1 3 378.436 3.985 20 0 GHADHM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573365115 947730767 /nfs/dbraw/zinc/73/07/67/947730767.db2.gz LEGJLPXGMRLZFZ-ACCUITESSA-N -1 3 378.436 3.985 20 0 GHADHM CC(C)(C(=O)N1CCC(C2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573762017 948848178 /nfs/dbraw/zinc/84/81/78/948848178.db2.gz OUPHGRPIMQMIAQ-UHFFFAOYSA-N -1 3 381.524 3.963 20 0 GHADHM CC(C)(C(=O)N1CCC(C2CCCCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573762017 948848196 /nfs/dbraw/zinc/84/81/96/948848196.db2.gz OUPHGRPIMQMIAQ-UHFFFAOYSA-N -1 3 381.524 3.963 20 0 GHADHM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)n1C)c1ccc2c(c1)CCCC2 ZINC001574083033 948871643 /nfs/dbraw/zinc/87/16/43/948871643.db2.gz OGXYDOCVKLYOIL-IBGZPJMESA-N -1 3 379.464 3.638 20 0 GHADHM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)n1C)c1ccc2c(c1)CCCC2 ZINC001574083033 948871660 /nfs/dbraw/zinc/87/16/60/948871660.db2.gz OGXYDOCVKLYOIL-IBGZPJMESA-N -1 3 379.464 3.638 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC001574083240 948884004 /nfs/dbraw/zinc/88/40/04/948884004.db2.gz QULVGZCKZGBZJL-RYRKJORJSA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC001574083240 948884020 /nfs/dbraw/zinc/88/40/20/948884020.db2.gz QULVGZCKZGBZJL-RYRKJORJSA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)c1nc2cc(NC(=O)Nc3ccc(-c4nnn[n-]4)c(F)c3)ccc2o1 ZINC001574427713 948910989 /nfs/dbraw/zinc/91/09/89/948910989.db2.gz LYMXWRBPMYLWIV-UHFFFAOYSA-N -1 3 381.371 3.914 20 0 GHADHM CC(C)c1nc2cc(NC(=O)Nc3ccc(-c4nn[n-]n4)c(F)c3)ccc2o1 ZINC001574427713 948911004 /nfs/dbraw/zinc/91/10/04/948911004.db2.gz LYMXWRBPMYLWIV-UHFFFAOYSA-N -1 3 381.371 3.914 20 0 GHADHM C[C@H](c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC001575501261 949008665 /nfs/dbraw/zinc/00/86/65/949008665.db2.gz DTPHIWQUKAPUQD-LLVKDONJSA-N -1 3 375.354 3.809 20 0 GHADHM C[C@H](c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC001575501261 949008680 /nfs/dbraw/zinc/00/86/80/949008680.db2.gz DTPHIWQUKAPUQD-LLVKDONJSA-N -1 3 375.354 3.809 20 0 GHADHM O=C([O-])c1ccc(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)s1 ZINC001595232229 949354150 /nfs/dbraw/zinc/35/41/50/949354150.db2.gz KGDRFLQNMSRVAI-AWEZNQCLSA-N -1 3 379.787 3.639 20 0 GHADHM C[C@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576170759 949737181 /nfs/dbraw/zinc/73/71/81/949737181.db2.gz MSZHLOTWEKRHEC-MAUKXSAKSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576170759 949737191 /nfs/dbraw/zinc/73/71/91/949737191.db2.gz MSZHLOTWEKRHEC-MAUKXSAKSA-N -1 3 376.464 3.621 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC001573823498 949836675 /nfs/dbraw/zinc/83/66/75/949836675.db2.gz XUXQNMDYLPPREG-INIZCTEOSA-N -1 3 389.381 3.801 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC001573823498 949836690 /nfs/dbraw/zinc/83/66/90/949836690.db2.gz XUXQNMDYLPPREG-INIZCTEOSA-N -1 3 389.381 3.801 20 0 GHADHM C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c2ccccc2S1 ZINC001576194018 950326063 /nfs/dbraw/zinc/32/60/63/950326063.db2.gz XMTDNWUWTRHKGJ-GFCCVEGCSA-N -1 3 390.472 3.879 20 0 GHADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCc2ccccc21 ZINC001575614950 950562439 /nfs/dbraw/zinc/56/24/39/950562439.db2.gz WPBYVIGFVDEGFX-FQEVSTJZSA-N -1 3 379.489 3.650 20 0 GHADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCc2ccccc21 ZINC001575614950 950562466 /nfs/dbraw/zinc/56/24/66/950562466.db2.gz WPBYVIGFVDEGFX-FQEVSTJZSA-N -1 3 379.489 3.650 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)n1 ZINC001573876775 950682520 /nfs/dbraw/zinc/68/25/20/950682520.db2.gz VUEBYZLLBGTWJB-UHFFFAOYSA-N -1 3 388.431 3.845 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)n1 ZINC001573876775 950682525 /nfs/dbraw/zinc/68/25/25/950682525.db2.gz VUEBYZLLBGTWJB-UHFFFAOYSA-N -1 3 388.431 3.845 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001574520279 950722401 /nfs/dbraw/zinc/72/24/01/950722401.db2.gz OYVJOBWFTQUNJB-KDOFPFPSSA-N -1 3 393.447 3.803 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001574520279 950722417 /nfs/dbraw/zinc/72/24/17/950722417.db2.gz OYVJOBWFTQUNJB-KDOFPFPSSA-N -1 3 393.447 3.803 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001576216313 950728922 /nfs/dbraw/zinc/72/89/22/950728922.db2.gz HSSXIDXQNSBMPY-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001576216313 950728937 /nfs/dbraw/zinc/72/89/37/950728937.db2.gz HSSXIDXQNSBMPY-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM CC(C)C(C)(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)C1 ZINC001576216436 950737462 /nfs/dbraw/zinc/73/74/62/950737462.db2.gz ZGFLKQNWPYJMLF-HNNXBMFYSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)C(C)(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)C1 ZINC001576216436 950737471 /nfs/dbraw/zinc/73/74/71/950737471.db2.gz ZGFLKQNWPYJMLF-HNNXBMFYSA-N -1 3 394.527 3.654 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576216936 950747449 /nfs/dbraw/zinc/74/74/49/950747449.db2.gz KFNRQAFKJSOEMQ-AUZPSNTRSA-N -1 3 394.504 3.751 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576216936 950747458 /nfs/dbraw/zinc/74/74/58/950747458.db2.gz KFNRQAFKJSOEMQ-AUZPSNTRSA-N -1 3 394.504 3.751 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576218822 950796726 /nfs/dbraw/zinc/79/67/26/950796726.db2.gz RQTDDSVVMQUOBO-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576218822 950796742 /nfs/dbraw/zinc/79/67/42/950796742.db2.gz RQTDDSVVMQUOBO-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM CC(C)CC[C@H](NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)(C)C ZINC001574185495 950803524 /nfs/dbraw/zinc/80/35/24/950803524.db2.gz ZJRXLGVANUNMGP-SFHVURJKSA-N -1 3 395.511 3.633 20 0 GHADHM CC(C)CC[C@H](NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)(C)C ZINC001574185495 950803538 /nfs/dbraw/zinc/80/35/38/950803538.db2.gz ZJRXLGVANUNMGP-SFHVURJKSA-N -1 3 395.511 3.633 20 0 GHADHM CC(C)CC[C@@H](NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)(C)C ZINC001574185494 950804367 /nfs/dbraw/zinc/80/43/67/950804367.db2.gz ZJRXLGVANUNMGP-GOSISDBHSA-N -1 3 395.511 3.633 20 0 GHADHM CC(C)CC[C@@H](NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)(C)C ZINC001574185494 950804384 /nfs/dbraw/zinc/80/43/84/950804384.db2.gz ZJRXLGVANUNMGP-GOSISDBHSA-N -1 3 395.511 3.633 20 0 GHADHM C[C@@H](CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC001575028043 951166989 /nfs/dbraw/zinc/16/69/89/951166989.db2.gz SVWLCEWYVLNSDS-HNNXBMFYSA-N -1 3 393.491 3.858 20 0 GHADHM C[C@H](CS[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC001575184780 952424501 /nfs/dbraw/zinc/42/45/01/952424501.db2.gz CJZJRQHRFYTZBP-DNVCBOLYSA-N -1 3 393.516 3.899 20 0 GHADHM C[C@H](CS[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC001575184780 952424504 /nfs/dbraw/zinc/42/45/04/952424504.db2.gz CJZJRQHRFYTZBP-DNVCBOLYSA-N -1 3 393.516 3.899 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191901 952469566 /nfs/dbraw/zinc/46/95/66/952469566.db2.gz ZUMKGRYKSPDTAS-ORAYPTAESA-N -1 3 395.894 3.966 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191901 952469571 /nfs/dbraw/zinc/46/95/71/952469571.db2.gz ZUMKGRYKSPDTAS-ORAYPTAESA-N -1 3 395.894 3.966 20 0 GHADHM Cc1ccc(C2CCN(Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CC2)cn1 ZINC001594353682 958387401 /nfs/dbraw/zinc/38/74/01/958387401.db2.gz GAWXKUVUWZFTSS-IBGZPJMESA-N -1 3 383.492 3.664 20 0 GHADHM COC1([C@@H](C(=O)[O-])N(C)Cc2ccc(Br)cc2Cl)CCC1 ZINC000517161695 974314960 /nfs/dbraw/zinc/31/49/60/974314960.db2.gz YQKOACJFGZZSNQ-CYBMUJFWSA-N -1 3 376.678 3.557 20 0 GHADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001591767845 975884344 /nfs/dbraw/zinc/88/43/44/975884344.db2.gz SPINWTAWBXBLLZ-GOSISDBHSA-N -1 3 397.475 3.568 20 0 GHADHM CC(C)c1[nH]c(CN2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001591912703 976351779 /nfs/dbraw/zinc/35/17/79/976351779.db2.gz QTBRJDDLPOBJHE-AWEZNQCLSA-N -1 3 379.501 3.573 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001591994355 976631166 /nfs/dbraw/zinc/63/11/66/976631166.db2.gz KPFHATXTVJEFJD-UZUQRXQVSA-N -1 3 380.488 3.865 20 0 GHADHM CC(C)n1ncc2cc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)c(Cl)nc21 ZINC001592162894 977045085 /nfs/dbraw/zinc/04/50/85/977045085.db2.gz IRIRDBNOXWLNPR-HNNXBMFYSA-N -1 3 378.904 3.988 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)cc1[O-] ZINC001625932378 1014458209 /nfs/dbraw/zinc/45/82/09/1014458209.db2.gz JBNMTTNDVQQPBB-UHFFFAOYSA-N -1 3 389.411 3.803 20 0 GHADHM C[C@H](CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC001592592865 978522855 /nfs/dbraw/zinc/52/28/55/978522855.db2.gz SBALQLQWBZJSQG-OXQOHEQNSA-N -1 3 386.536 3.833 20 0 GHADHM O=C([O-])c1ccsc1N1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000833341298 979165078 /nfs/dbraw/zinc/16/50/78/979165078.db2.gz MOHDCPAAQOBIJM-IRXDYDNUSA-N -1 3 388.464 3.822 20 0 GHADHM CCC(CC)[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1cccs1 ZINC001595110294 979454653 /nfs/dbraw/zinc/45/46/53/979454653.db2.gz XEOGDRAPUNHXGP-MRXNPFEDSA-N -1 3 381.523 3.537 20 0 GHADHM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)N1CCc2ccccc2C1 ZINC001595153111 979650881 /nfs/dbraw/zinc/65/08/81/979650881.db2.gz VFEDHDILPXGSLG-LJQANCHMSA-N -1 3 381.476 3.652 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC001592865750 979708686 /nfs/dbraw/zinc/70/86/86/979708686.db2.gz GSWWWSKEPOBQHP-IAGOWNOFSA-N -1 3 383.492 3.592 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC001625991842 1014643589 /nfs/dbraw/zinc/64/35/89/1014643589.db2.gz XNRJLABFCAZYJC-UHFFFAOYSA-N -1 3 380.419 3.975 20 0 GHADHM C[C@@H](CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1cccc(Br)c1 ZINC000901788740 980519862 /nfs/dbraw/zinc/51/98/62/980519862.db2.gz VDSTYDPATCWBLA-IINYFYTJSA-N -1 3 380.204 3.892 20 0 GHADHM CCC(O)(CC)C(C)(C)NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001595323865 980528090 /nfs/dbraw/zinc/52/80/90/980528090.db2.gz ZZUXJPYMNHEVDL-UHFFFAOYSA-N -1 3 388.302 3.575 20 0 GHADHM CCN(CC)C(=O)C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC000902189948 980775640 /nfs/dbraw/zinc/77/56/40/980775640.db2.gz DQFZGDUPMBLLGT-UHFFFAOYSA-N -1 3 384.476 3.725 20 0 GHADHM CC[C@@H]1CN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)CCCO1 ZINC001595488706 981236690 /nfs/dbraw/zinc/23/66/90/981236690.db2.gz QRVGVXGZBPQEMD-MRXNPFEDSA-N -1 3 389.448 3.566 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccco1 ZINC001594994016 982867386 /nfs/dbraw/zinc/86/73/86/982867386.db2.gz FNWJSJAOGDNTEI-NHYWBVRUSA-N -1 3 379.844 3.882 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001595878394 982869967 /nfs/dbraw/zinc/86/99/67/982869967.db2.gz BCAPOOBDRXAYAA-UHFFFAOYSA-N -1 3 393.553 3.734 20 0 GHADHM CCN(CC)C(=O)CCC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC001596242786 983642970 /nfs/dbraw/zinc/64/29/70/983642970.db2.gz IWHRBWIWUIHXBT-UHFFFAOYSA-N -1 3 380.916 3.899 20 0 GHADHM CCN1C[C@@H](CN(C)Cc2c3ccccc3[nH]c2C(=O)[O-])Oc2ccccc21 ZINC001596396246 983940148 /nfs/dbraw/zinc/94/01/48/983940148.db2.gz OVKSVISPFRKICF-OAHLLOKOSA-N -1 3 379.460 3.585 20 0 GHADHM C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@@H]2CCCC[C@H]21 ZINC001594507201 985726250 /nfs/dbraw/zinc/72/62/50/985726250.db2.gz LRKASUJNKNCEIJ-VNHYZAJKSA-N -1 3 376.522 3.774 20 0 GHADHM Cc1[nH]c(CN2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1C(=O)[O-] ZINC001599964031 985860633 /nfs/dbraw/zinc/86/06/33/985860633.db2.gz WBDHARKQBIQXKB-OAQYLSRUSA-N -1 3 393.528 3.784 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594537734 986162231 /nfs/dbraw/zinc/16/22/31/986162231.db2.gz JJYCFAPYPBOTIT-UKRRQHHQSA-N -1 3 380.460 3.507 20 0 GHADHM C[C@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)CC[C@H]1C(=O)OC(C)(C)C ZINC001594547746 986231626 /nfs/dbraw/zinc/23/16/26/986231626.db2.gz NWUVXVVXVWXLRJ-GOEBONIOSA-N -1 3 384.476 3.733 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001597016816 986386607 /nfs/dbraw/zinc/38/66/07/986386607.db2.gz KVIUKVDPCLXQIG-KUHUBIRLSA-N -1 3 385.464 3.596 20 0 GHADHM CCOc1cc(CN2CC[C@H](SC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031087 986447886 /nfs/dbraw/zinc/44/78/86/986447886.db2.gz ITVIVPCIYFTVNT-INIZCTEOSA-N -1 3 391.489 3.893 20 0 GHADHM CCOc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc(Br)c1O ZINC001597031942 986452653 /nfs/dbraw/zinc/45/26/53/986452653.db2.gz BVAVIQUHLHWBPS-UHFFFAOYSA-N -1 3 394.265 3.884 20 0 GHADHM CCOc1cc(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc(Cl)c1[O-] ZINC001597035282 986469881 /nfs/dbraw/zinc/46/98/81/986469881.db2.gz FEEGGFMILFVWOV-XJKSGUPXSA-N -1 3 377.868 3.866 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001597236056 987200768 /nfs/dbraw/zinc/20/07/68/987200768.db2.gz QLGVXSSIXMXWTG-PXAZEXFGSA-N -1 3 381.881 3.610 20 0 GHADHM COc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccc1OC[C@@H]1CCCO1 ZINC000544961167 1015289057 /nfs/dbraw/zinc/28/90/57/1015289057.db2.gz MKDRBWINMBKWSF-HNNXBMFYSA-N -1 3 382.416 3.984 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001589612221 987472179 /nfs/dbraw/zinc/47/21/79/987472179.db2.gz TVFDDRWRYWSAKP-BBRMVZONSA-N -1 3 398.425 3.634 20 0 GHADHM CCc1ccc([C@@H](NC(=O)CN(CCC(=O)[O-])C(C)C)c2cccs2)cc1 ZINC001597514789 988123346 /nfs/dbraw/zinc/12/33/46/988123346.db2.gz SUKFODYYTNAMLU-OAQYLSRUSA-N -1 3 388.533 3.701 20 0 GHADHM CCc1ccccc1[C@H](CNCc1ccc(C(=O)[O-])o1)NC(=O)OC(C)(C)C ZINC001597608804 988487147 /nfs/dbraw/zinc/48/71/47/988487147.db2.gz DPURYQDUYIVWEK-KRWDZBQOSA-N -1 3 388.464 3.896 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001597763580 989208844 /nfs/dbraw/zinc/20/88/44/989208844.db2.gz ZXXFBFZIXOZGGO-HOCLYGCPSA-N -1 3 392.496 3.762 20 0 GHADHM CCc1oc(CN2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597797329 989359442 /nfs/dbraw/zinc/35/94/42/989359442.db2.gz XOJVGRQBTJFHDY-UONOGXRCSA-N -1 3 380.485 3.523 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001590223389 989591826 /nfs/dbraw/zinc/59/18/26/989591826.db2.gz CEKKAFJDNFKARG-JOCHJYFZSA-N -1 3 399.491 3.586 20 0 GHADHM CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001598170193 990696659 /nfs/dbraw/zinc/69/66/59/990696659.db2.gz KQZCEWLRTBYKJD-FQEVSTJZSA-N -1 3 377.444 3.962 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)cc(OC)c1[O-] ZINC000545146961 1015583347 /nfs/dbraw/zinc/58/33/47/1015583347.db2.gz BFYOKZXIDGXBNF-KRWDZBQOSA-N -1 3 375.440 3.888 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001598202222 990821703 /nfs/dbraw/zinc/82/17/03/990821703.db2.gz BBABDTVKSGDMOA-MRXNPFEDSA-N -1 3 379.819 3.602 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccn(-c3ccc(F)cc3F)n2)[nH][n-]1 ZINC000468340302 1015600688 /nfs/dbraw/zinc/60/06/88/1015600688.db2.gz VPHPSDCMGYGAMV-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM CN(C[C@@H](O)c1cccc(Br)c1)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001598436869 991834333 /nfs/dbraw/zinc/83/43/33/991834333.db2.gz KNGHRHARBKGECR-CVEARBPZSA-N -1 3 398.684 3.894 20 0 GHADHM CC(C)N(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC001591560760 992758076 /nfs/dbraw/zinc/75/80/76/992758076.db2.gz JCLFNOPOMUYDDT-KRWDZBQOSA-N -1 3 381.398 3.861 20 0 GHADHM CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-])[C@@H]1CCCC[C@H]1O ZINC001598533567 992819200 /nfs/dbraw/zinc/81/92/00/992819200.db2.gz ILFGIIDPCFBXCK-HZPDHXFCSA-N -1 3 398.290 3.613 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000468519801 1015772257 /nfs/dbraw/zinc/77/22/57/1015772257.db2.gz UTIAFLZBNGDFOH-SFHVURJKSA-N -1 3 385.435 3.989 20 0 GHADHM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468578972 1015817785 /nfs/dbraw/zinc/81/77/85/1015817785.db2.gz ZQHSFLQNIMLXBG-UHFFFAOYSA-N -1 3 383.423 3.552 20 0 GHADHM C[C@@H](NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cc(C(=O)[O-])co1 ZINC001593246500 994452786 /nfs/dbraw/zinc/45/27/86/994452786.db2.gz MIYDOIKMQJZFEN-FOIQADDNSA-N -1 3 381.428 3.941 20 0 GHADHM COc1cccc([C@H](O)C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599660372 994646434 /nfs/dbraw/zinc/64/64/34/994646434.db2.gz RNUQURPADAQEFF-WOJBJXKFSA-N -1 3 389.879 3.920 20 0 GHADHM C[C@H](Oc1ccccc1CN[C@H]1CCN(c2ccc(Cl)cc2F)C1)C(=O)[O-] ZINC001593644909 995968464 /nfs/dbraw/zinc/96/84/64/995968464.db2.gz FEPPTEGPCUKUTI-BBRMVZONSA-N -1 3 392.858 3.700 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001593686372 996122576 /nfs/dbraw/zinc/12/25/76/996122576.db2.gz OAKKZNISTLVHOL-OAHLLOKOSA-N -1 3 386.448 3.677 20 0 GHADHM C[C@@H](c1cccc(Br)c1)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593698001 996159940 /nfs/dbraw/zinc/15/99/40/996159940.db2.gz CNSRHJYXMNFXBS-UGSOOPFHSA-N -1 3 382.298 3.592 20 0 GHADHM C[C@H](c1cccc(F)c1)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468816613 1016064223 /nfs/dbraw/zinc/06/42/23/1016064223.db2.gz CXTKICFRLDVYSP-MRXNPFEDSA-N -1 3 388.458 3.899 20 0 GHADHM COc1cc(C)c(CN(C)Cc2ccnc3c(C(=O)[O-])cccc23)cc1OC ZINC001599390645 997029315 /nfs/dbraw/zinc/02/93/15/997029315.db2.gz HTOOBIIHEYYHJI-UHFFFAOYSA-N -1 3 380.444 3.891 20 0 GHADHM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC001599406126 997306966 /nfs/dbraw/zinc/30/69/66/997306966.db2.gz TWHDODDGWDPOKS-KRWDZBQOSA-N -1 3 383.366 3.980 20 0 GHADHM COc1cc(CN2CC[C@@H](OC(C)C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599408517 997377425 /nfs/dbraw/zinc/37/74/25/997377425.db2.gz ZXSGRJCOBQUFJJ-MRXNPFEDSA-N -1 3 389.448 3.565 20 0 GHADHM COc1cc(CNCc2ccnc(C)c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599415026 997491000 /nfs/dbraw/zinc/49/10/00/997491000.db2.gz DZEMBQAJRVCMMU-UHFFFAOYSA-N -1 3 382.416 3.559 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594022305 997547950 /nfs/dbraw/zinc/54/79/50/997547950.db2.gz XPFMPIIMLDJKNH-BEFAXECRSA-N -1 3 382.888 3.702 20 0 GHADHM COc1ccc([C@@H](O)C2CCN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)cc1 ZINC001599532078 997672813 /nfs/dbraw/zinc/67/28/13/997672813.db2.gz NXTMOWAFIQJJMX-OAQYLSRUSA-N -1 3 384.476 3.545 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCC(F)(F)F)c(F)c2)C(=O)[O-])cc1 ZINC001599532157 997675287 /nfs/dbraw/zinc/67/52/87/997675287.db2.gz PGMCHNMEOFXTTD-INIZCTEOSA-N -1 3 387.329 3.691 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Cc2nc(=O)c3c4ccccc4sc3[n-]2)cc1 ZINC000468880392 1016157979 /nfs/dbraw/zinc/15/79/79/1016157979.db2.gz HFDMRCJQJOWFBQ-LBPRGKRZSA-N -1 3 393.468 3.979 20 0 GHADHM COc1cc(OC)cc(N2CCCN([C@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)c1 ZINC001599454660 998167538 /nfs/dbraw/zinc/16/75/38/998167538.db2.gz MROWRAVQKPAUHI-OAHLLOKOSA-N -1 3 388.464 3.577 20 0 GHADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCCC(C)(F)F)c1 ZINC001599475159 998519186 /nfs/dbraw/zinc/51/91/86/998519186.db2.gz SIKCXSWYVMXIMC-ZDUSSCGKSA-N -1 3 380.229 3.951 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000468936346 1016243122 /nfs/dbraw/zinc/24/31/22/1016243122.db2.gz JYAJSUGODNNIPI-UHFFFAOYSA-N -1 3 379.435 3.625 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468995548 1016320654 /nfs/dbraw/zinc/32/06/54/1016320654.db2.gz OKAKEEVRYGWBEZ-UHFFFAOYSA-N -1 3 385.414 3.804 20 0 GHADHM CC1CCN(CCNC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])CC1 ZINC001594420503 999569779 /nfs/dbraw/zinc/56/97/79/999569779.db2.gz ZACLPQCJJGNMCK-UHFFFAOYSA-N -1 3 399.944 3.760 20 0 GHADHM COC(=O)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC000469010515 1016335191 /nfs/dbraw/zinc/33/51/91/1016335191.db2.gz PYYZXCQURCYSGD-GOSISDBHSA-N -1 3 397.805 3.677 20 0 GHADHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc(C)c1O ZINC000469068871 1016410150 /nfs/dbraw/zinc/41/01/50/1016410150.db2.gz SCZRGSBTUYZHOL-UHFFFAOYSA-N -1 3 391.386 3.688 20 0 GHADHM CC1(C)Cc2ccc(-c3nc(-c4ccncc4N4CCCC4)no3)c([O-])c2O1 ZINC000545818081 1016444580 /nfs/dbraw/zinc/44/45/80/1016444580.db2.gz VONUVBGTTWQLEM-UHFFFAOYSA-N -1 3 378.432 3.818 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)c2c1 ZINC001154507365 1032151412 /nfs/dbraw/zinc/15/14/12/1032151412.db2.gz RXFBTKKBQDBHDL-QHCPKHFHSA-N -1 3 399.450 3.996 20 0 GHADHM FC(F)(F)c1nc(=N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s[n-]1 ZINC000557597030 1017020556 /nfs/dbraw/zinc/02/05/56/1017020556.db2.gz VHQBTAJTSIQKGF-LLVKDONJSA-N -1 3 396.360 3.684 20 0 GHADHM FC(F)(F)c1nsc(=N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)[n-]1 ZINC000557597030 1017020569 /nfs/dbraw/zinc/02/05/69/1017020569.db2.gz VHQBTAJTSIQKGF-LLVKDONJSA-N -1 3 396.360 3.684 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C(C)C)cc1 ZINC001221017625 1032237904 /nfs/dbraw/zinc/23/79/04/1032237904.db2.gz ZKJNAYXTOVAWDJ-WIYYLYMNSA-N -1 3 397.523 3.581 20 0 GHADHM CCc1cnc(=S)[n-]c1OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001227061622 1032255306 /nfs/dbraw/zinc/25/53/06/1032255306.db2.gz LFECQKVNISQPBY-MRXNPFEDSA-N -1 3 384.457 3.595 20 0 GHADHM CCc1cnc(=S)[n-]c1O[C@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C ZINC001227062668 1032256538 /nfs/dbraw/zinc/25/65/38/1032256538.db2.gz YJLWMXUKOLAPEH-RFGFWPKPSA-N -1 3 383.489 3.585 20 0 GHADHM CCc1cnc(=S)[n-]c1O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C ZINC001227062669 1032256840 /nfs/dbraw/zinc/25/68/40/1032256840.db2.gz YJLWMXUKOLAPEH-RQJABVFESA-N -1 3 383.489 3.585 20 0 GHADHM Cc1ncc(CNc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)s1 ZINC001154797564 1032287897 /nfs/dbraw/zinc/28/78/97/1032287897.db2.gz ADGSKPURUCTSTR-UHFFFAOYSA-N -1 3 396.444 3.538 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001155006915 1032377146 /nfs/dbraw/zinc/37/71/46/1032377146.db2.gz JDPCBNSKGNERTL-UHFFFAOYSA-N -1 3 393.266 3.709 20 0 GHADHM C[C@H](COc1cccc([O-])c1I)OCc1ccccc1 ZINC001227381036 1032396871 /nfs/dbraw/zinc/39/68/71/1032396871.db2.gz NGVMEYJORYTLLQ-GFCCVEGCSA-N -1 3 384.213 3.981 20 0 GHADHM C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](Oc2nc3[nH]c(=O)[nH]c(=O)c3[n-]2)C1 ZINC001227431017 1032418180 /nfs/dbraw/zinc/41/81/80/1032418180.db2.gz QTDCHIONUOBNEB-BPLDGKMQSA-N -1 3 382.464 3.926 20 0 GHADHM C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](Oc2nc3[nH]c(=O)[nH]c([O-])c-3n2)C1 ZINC001227431017 1032418182 /nfs/dbraw/zinc/41/81/82/1032418182.db2.gz QTDCHIONUOBNEB-BPLDGKMQSA-N -1 3 382.464 3.926 20 0 GHADHM CCOC(=O)C[C@H](Oc1c([O-])cc(Br)cc1F)C(F)(F)F ZINC001227589038 1032474659 /nfs/dbraw/zinc/47/46/59/1032474659.db2.gz XUMBYDKOTCUFKP-VIFPVBQESA-N -1 3 375.112 3.557 20 0 GHADHM [O-]c1cc(Br)cc(F)c1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001227588058 1032474862 /nfs/dbraw/zinc/47/48/62/1032474862.db2.gz NWDQRKFAOLMLCG-OAHLLOKOSA-N -1 3 396.256 3.574 20 0 GHADHM COC(=O)c1ccc([O-])c(OCc2ccc(OC(C)C)c(Br)c2)n1 ZINC001227826911 1032636170 /nfs/dbraw/zinc/63/61/70/1032636170.db2.gz VTTBLHXNQLKSEW-UHFFFAOYSA-N -1 3 396.237 3.703 20 0 GHADHM COC(C)(C)c1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000558553088 1017227926 /nfs/dbraw/zinc/22/79/26/1017227926.db2.gz XAPKVMAZXWBVAD-UHFFFAOYSA-N -1 3 399.310 3.731 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2nc3ccccc3s2)C2CC2)c1 ZINC000928664491 1017544126 /nfs/dbraw/zinc/54/41/26/1017544126.db2.gz KWWCRIRKVOPWJH-UHFFFAOYSA-N -1 3 381.457 3.765 20 0 GHADHM CC(C)c1[nH]ccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000560594347 1017675593 /nfs/dbraw/zinc/67/55/93/1017675593.db2.gz ZGWYZUNYSFTFST-UHFFFAOYSA-N -1 3 389.883 3.988 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)c1nnc2n1CCCCC2 ZINC000929805342 1017743192 /nfs/dbraw/zinc/74/31/92/1017743192.db2.gz GFOQCTGRABPJBS-LLVKDONJSA-N -1 3 398.841 3.636 20 0 GHADHM C[C@H]1CCCN1C(=O)c1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cc1 ZINC000562564052 1018322684 /nfs/dbraw/zinc/32/26/84/1018322684.db2.gz KEHKOIGUAICFHL-ZDUSSCGKSA-N -1 3 381.407 3.797 20 0 GHADHM O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568105044 1019373694 /nfs/dbraw/zinc/37/36/94/1019373694.db2.gz MNANKMSGVQEINL-SFHVURJKSA-N -1 3 387.439 3.980 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000571051746 1019664685 /nfs/dbraw/zinc/66/46/85/1019664685.db2.gz KEJSKVGQAZHBQZ-FUHWJXTLSA-N -1 3 386.879 3.618 20 0 GHADHM O=C(OCc1ccc(CO)cc1)c1n[n-]c(-c2ccccc2)c1Br ZINC000778820073 1019775627 /nfs/dbraw/zinc/77/56/27/1019775627.db2.gz OSCGGDVQUPXAIE-UHFFFAOYSA-N -1 3 387.233 3.689 20 0 GHADHM Cn1nc(C2CCOCC2)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000628930550 1020735220 /nfs/dbraw/zinc/73/52/20/1020735220.db2.gz XLPOVDHDYKWMCX-UHFFFAOYSA-N -1 3 391.471 3.863 20 0 GHADHM COC[C@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCc2ccccc21 ZINC000629751704 1020763962 /nfs/dbraw/zinc/76/39/62/1020763962.db2.gz PQLXBOOSCNBSBI-BTYIYWSLSA-N -1 3 376.456 3.693 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000191876317 1020826623 /nfs/dbraw/zinc/82/66/23/1020826623.db2.gz DTDGCBYLHMBWOZ-NXEZZACHSA-N -1 3 387.274 3.643 20 0 GHADHM CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000192198626 1020846842 /nfs/dbraw/zinc/84/68/42/1020846842.db2.gz OKCCOWSDXADIAW-UHFFFAOYSA-N -1 3 393.336 3.600 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)C=Cc1ccc(Br)cc1 ZINC000779810959 1020957644 /nfs/dbraw/zinc/95/76/44/1020957644.db2.gz MMGGCZKNASQCGW-VOTSOKGWSA-N -1 3 392.225 3.831 20 0 GHADHM Cc1ccccc1C[C@H](CNCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000903994421 1021668902 /nfs/dbraw/zinc/66/89/02/1021668902.db2.gz SVTJLDGILQYCPK-CYBMUJFWSA-N -1 3 397.700 3.839 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2Cc2cccc([O-])c2Br)C1 ZINC001140550669 1021952522 /nfs/dbraw/zinc/95/25/22/1021952522.db2.gz XZUWGPYTWBKMTJ-KGLIPLIRSA-N -1 3 397.313 3.596 20 0 GHADHM O=C(Nc1ccccc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140551141 1021953200 /nfs/dbraw/zinc/95/32/00/1021953200.db2.gz WKIGKCGRKLZVKI-UHFFFAOYSA-N -1 3 390.281 3.504 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c1 ZINC000754015767 1022424388 /nfs/dbraw/zinc/42/43/88/1022424388.db2.gz WNSBHYDCCLIEJY-UHFFFAOYSA-N -1 3 384.432 3.951 20 0 GHADHM C[C@@H](CON)Oc1cc([O-])cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 ZINC001228732167 1033067677 /nfs/dbraw/zinc/06/76/77/1033067677.db2.gz RTEPCBOHRBZZJF-GJZGRUSLSA-N -1 3 391.464 3.532 20 0 GHADHM CCOc1ccccc1Nc1nnc(SCc2nc(C)cc(=O)[n-]2)s1 ZINC000754458481 1022719358 /nfs/dbraw/zinc/71/93/58/1022719358.db2.gz QHOAEPWYCFUROI-UHFFFAOYSA-N -1 3 375.479 3.777 20 0 GHADHM CC[C@@H](CCOC)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000754582983 1022781429 /nfs/dbraw/zinc/78/14/29/1022781429.db2.gz QMCKKILJVPLKTH-HNNXBMFYSA-N -1 3 395.452 3.598 20 0 GHADHM COC(=O)c1ccc(CC2CCN(Cc3ccc([O-])c(F)c3F)CC2)cc1 ZINC001140894977 1022821297 /nfs/dbraw/zinc/82/12/97/1022821297.db2.gz JBCXSCCQAKVWMP-UHFFFAOYSA-N -1 3 375.415 3.912 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)CC1 ZINC001140946877 1022957072 /nfs/dbraw/zinc/95/70/72/1022957072.db2.gz IVKXQJONBQMOMS-UHFFFAOYSA-N -1 3 392.496 3.837 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCC(C)(C)CC2)ccc1F ZINC000755579762 1023299888 /nfs/dbraw/zinc/29/98/88/1023299888.db2.gz QASPKAYGLGANRJ-UHFFFAOYSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1nc(NC([O-])=NOC(C)(C)CO)sc1Cc1cccc(Cl)c1F ZINC000836759291 1023344284 /nfs/dbraw/zinc/34/42/84/1023344284.db2.gz SVYSBNJZYSCOLD-UHFFFAOYSA-N -1 3 387.864 3.659 20 0 GHADHM Cc1nc(NC(=O)[N-]OC(C)(C)CO)sc1Cc1cccc(Cl)c1F ZINC000836759291 1023344293 /nfs/dbraw/zinc/34/42/93/1023344293.db2.gz SVYSBNJZYSCOLD-UHFFFAOYSA-N -1 3 387.864 3.659 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc3c(cc2[O-])CCC3=O)CC(F)(F)C1 ZINC001228853356 1033136575 /nfs/dbraw/zinc/13/65/75/1033136575.db2.gz IAHMEKAITPVKEF-GFCCVEGCSA-N -1 3 383.391 3.545 20 0 GHADHM COc1c(C)cc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000756377904 1023617650 /nfs/dbraw/zinc/61/76/50/1023617650.db2.gz ADWKBOOKLXKIQI-HXUWFJFHSA-N -1 3 379.460 3.803 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000756786427 1023815239 /nfs/dbraw/zinc/81/52/39/1023815239.db2.gz CIAFXYRBWKUKKA-QLJPJBMISA-N -1 3 387.785 3.818 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)OC)c2)cc1CC ZINC000756938399 1023877291 /nfs/dbraw/zinc/87/72/91/1023877291.db2.gz KCKWTBLVOPMQJS-UHFFFAOYSA-N -1 3 380.441 3.930 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1 ZINC000756946993 1023880674 /nfs/dbraw/zinc/88/06/74/1023880674.db2.gz HYJOBQWXULJZRI-LLVKDONJSA-N -1 3 396.340 3.891 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H]1n1cccn1 ZINC000837028810 1023962245 /nfs/dbraw/zinc/96/22/45/1023962245.db2.gz JAJDPEHYINPMBM-YXJHDRRASA-N -1 3 385.489 3.731 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837549853 1024545174 /nfs/dbraw/zinc/54/51/74/1024545174.db2.gz NMDMPXXGDIDZCU-UHFFFAOYSA-N -1 3 387.411 3.540 20 0 GHADHM Cc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)nc(-c2ccc(Cl)cc2)n1 ZINC000837594143 1024573948 /nfs/dbraw/zinc/57/39/48/1024573948.db2.gz ZAGMKIIOCSAFBT-UHFFFAOYSA-N -1 3 396.834 3.835 20 0 GHADHM [O-]c1ccc(-c2nc3sccc3c(N3CCOCC3)n2)c(C(F)(F)F)c1 ZINC001205066609 1033233911 /nfs/dbraw/zinc/23/39/11/1033233911.db2.gz UEOSNVYNDMHZJN-UHFFFAOYSA-N -1 3 381.379 3.919 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(N4CCC4)nc3)nc(=O)c2c1C ZINC000838085154 1024912765 /nfs/dbraw/zinc/91/27/65/1024912765.db2.gz HWAKFBGDNIOZOD-NSHDSACASA-N -1 3 384.461 3.537 20 0 GHADHM CCCc1c(NC(=O)c2[n-]cnc2C(F)(F)F)cnn1-c1cc(C)ccn1 ZINC000832198383 1025315820 /nfs/dbraw/zinc/31/58/20/1025315820.db2.gz QKRWTDLJWRKJTM-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM CCCc1c(NC(=O)c2nc[n-]c2C(F)(F)F)cnn1-c1cc(C)ccn1 ZINC000832198383 1025315830 /nfs/dbraw/zinc/31/58/30/1025315830.db2.gz QKRWTDLJWRKJTM-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM CCN(Cc1ccccc1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141517158 1025362418 /nfs/dbraw/zinc/36/24/18/1025362418.db2.gz KPLZUVQBVMNHAO-UHFFFAOYSA-N -1 3 380.897 3.682 20 0 GHADHM C[C@H](Oc1cc(O)cc([O-])c1Br)c1cc(Br)no1 ZINC001229096879 1033276905 /nfs/dbraw/zinc/27/69/05/1033276905.db2.gz LGODUERXRWAPSW-YFKPBYRVSA-N -1 3 379.004 3.751 20 0 GHADHM C[C@H]1COCCN1c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000838880220 1025415626 /nfs/dbraw/zinc/41/56/26/1025415626.db2.gz MDDFFXMZPDLVBX-ZDUSSCGKSA-N -1 3 377.282 3.992 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ncccc2Br)c([O-])c1 ZINC001161909444 1025490210 /nfs/dbraw/zinc/49/02/10/1025490210.db2.gz XFMHIOWODGBMGP-UHFFFAOYSA-N -1 3 379.254 3.659 20 0 GHADHM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)Nc1ccc(Br)cc1[O-] ZINC001141623192 1025932375 /nfs/dbraw/zinc/93/23/75/1025932375.db2.gz YDNZLTNIUUUPMG-SKDRFNHKSA-N -1 3 382.176 3.983 20 0 GHADHM CN(CCc1ccccc1)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139236816 1026085327 /nfs/dbraw/zinc/08/53/27/1026085327.db2.gz WABJWHUAMGKKBM-UHFFFAOYSA-N -1 3 378.266 3.587 20 0 GHADHM COc1cccc(CN2CCC[C@@]3(CCc4c3cccc4F)C2)c1OCC(=O)[O-] ZINC001139272518 1026119906 /nfs/dbraw/zinc/11/99/06/1026119906.db2.gz WWLNKADRBTXQTM-HSZRJFAPSA-N -1 3 399.462 3.778 20 0 GHADHM CC(C)(c1nnc(C(=O)[N-]c2ccc3c(c2)oc2ccccc23)o1)S(C)(=O)=O ZINC001141673603 1026220910 /nfs/dbraw/zinc/22/09/10/1026220910.db2.gz UUILPBYQJMKRJC-UHFFFAOYSA-N -1 3 399.428 3.501 20 0 GHADHM COc1cccc(C2=CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)c1 ZINC001546121638 1069391202 /nfs/dbraw/zinc/39/12/02/1069391202.db2.gz GWEYMEGCNNSVDY-UHFFFAOYSA-N -1 3 380.831 3.730 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)CCC2)cc1 ZINC001164322574 1026484310 /nfs/dbraw/zinc/48/43/10/1026484310.db2.gz PTPQBCUMTQFGGJ-MRXNPFEDSA-N -1 3 383.492 3.588 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC(C)(C)C ZINC001461125816 1069404353 /nfs/dbraw/zinc/40/43/53/1069404353.db2.gz FYTZHYKJIMILRX-LBPRGKRZSA-N -1 3 377.815 3.677 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC001165585294 1026768269 /nfs/dbraw/zinc/76/82/69/1026768269.db2.gz HUQLGFBVVQEBMD-UHFFFAOYSA-N -1 3 393.468 3.673 20 0 GHADHM O=C([O-])N[C@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000834150169 1026833244 /nfs/dbraw/zinc/83/32/44/1026833244.db2.gz LPIQUIMVAKTXQG-GOSISDBHSA-N -1 3 387.867 3.728 20 0 GHADHM C[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)[C@H]1C ZINC001166613614 1027040161 /nfs/dbraw/zinc/04/01/61/1027040161.db2.gz GDPSIIINPNENJB-STQMWFEESA-N -1 3 381.448 3.785 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1F ZINC001203311638 1027269002 /nfs/dbraw/zinc/26/90/02/1027269002.db2.gz MBGQBDAMCGFMOY-ZETCQYMHSA-N -1 3 393.316 3.772 20 0 GHADHM Nc1ccc(S(=O)(=O)N(CCc2ccccc2)c2cccc(F)c2[O-])cc1 ZINC001210197471 1027382501 /nfs/dbraw/zinc/38/25/01/1027382501.db2.gz NRCJJCHJUSOOPQ-UHFFFAOYSA-N -1 3 386.448 3.552 20 0 GHADHM C[C@H]1CN(S(=O)(=O)c2ccc(Nc3cccc(Cl)c3[O-])cc2)C[C@H](C)O1 ZINC001210218877 1027388177 /nfs/dbraw/zinc/38/81/77/1027388177.db2.gz GTXFBPBXFDHQAU-STQMWFEESA-N -1 3 396.896 3.587 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001141843282 1027414900 /nfs/dbraw/zinc/41/49/00/1027414900.db2.gz AMLKBNXGHJUOLH-UHFFFAOYSA-N -1 3 378.823 3.691 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001141843282 1027414913 /nfs/dbraw/zinc/41/49/13/1027414913.db2.gz AMLKBNXGHJUOLH-UHFFFAOYSA-N -1 3 378.823 3.691 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)N(C)C)c(F)cc1F ZINC001210405891 1027493519 /nfs/dbraw/zinc/49/35/19/1027493519.db2.gz NXWOTYXYBYUENX-INIZCTEOSA-N -1 3 388.867 3.508 20 0 GHADHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001210702362 1027611362 /nfs/dbraw/zinc/61/13/62/1027611362.db2.gz NOCOLBCUSPFZMP-UHFFFAOYSA-N -1 3 396.793 3.722 20 0 GHADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Nc3cccc([O-])c3Cl)cc2)C[C@H](C)O1 ZINC001210854813 1027679613 /nfs/dbraw/zinc/67/96/13/1027679613.db2.gz AQTHISFTZDYNMO-BETUJISGSA-N -1 3 396.896 3.587 20 0 GHADHM CCOc1ccc(C[C@@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000840651358 1027687148 /nfs/dbraw/zinc/68/71/48/1027687148.db2.gz GNXQJKXRLIOVEK-CQSZACIVSA-N -1 3 382.416 3.763 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141949315 1027730663 /nfs/dbraw/zinc/73/06/63/1027730663.db2.gz OPZNDZSQQGWSPL-SFHVURJKSA-N -1 3 392.908 3.997 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(-c2ccccc2)s1 ZINC001211234688 1027850955 /nfs/dbraw/zinc/85/09/55/1027850955.db2.gz PXBJWHHBGUVRMW-UHFFFAOYSA-N -1 3 385.514 3.524 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@H](O)C(F)(F)F ZINC001211388837 1027937762 /nfs/dbraw/zinc/93/77/62/1027937762.db2.gz XYCUVYGKBYLYIU-SKDRFNHKSA-N -1 3 394.242 3.590 20 0 GHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001211406189 1027944741 /nfs/dbraw/zinc/94/47/41/1027944741.db2.gz FZRTWEJGAINVMA-GFCCVEGCSA-N -1 3 392.527 3.811 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000840998474 1028030518 /nfs/dbraw/zinc/03/05/18/1028030518.db2.gz DEXGQEPKQFPQJS-SFHVURJKSA-N -1 3 382.291 3.843 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C[C@]2(Cc3ccccc3)C=CCCC2)s1 ZINC001213359387 1028134771 /nfs/dbraw/zinc/13/47/71/1028134771.db2.gz DZSAHTKJYBCCSK-LJQANCHMSA-N -1 3 376.547 3.953 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCC3(CC(N4CCCC4)=NO3)CC2)c(Cl)c1 ZINC001142111256 1028139920 /nfs/dbraw/zinc/13/99/20/1028139920.db2.gz FTYREONJEGCHMI-UHFFFAOYSA-N -1 3 384.307 3.863 20 0 GHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC001213462451 1028203872 /nfs/dbraw/zinc/20/38/72/1028203872.db2.gz YSEJGTYNDOQREA-UHFFFAOYSA-N -1 3 385.258 3.849 20 0 GHADHM Fc1cc(I)cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500450 1028228614 /nfs/dbraw/zinc/22/86/14/1028228614.db2.gz ISXJAVIGWJZJFF-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM COc1ccc(C2CC2)cc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001213563759 1028269328 /nfs/dbraw/zinc/26/93/28/1028269328.db2.gz VNYFWWSUXVJBCH-UHFFFAOYSA-N -1 3 387.288 3.753 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)(C)C)cc1F ZINC001213978626 1028486832 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20 0 GHADHM O=c1nc(O[C@@H](c2cccnc2)C2CC2)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230186810 1033936623 /nfs/dbraw/zinc/93/66/23/1033936623.db2.gz ROSLNVRQCHAMPQ-OAQYLSRUSA-N -1 3 388.471 3.666 20 0 GHADHM COc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c2ccccc12 ZINC001158784968 1034271256 /nfs/dbraw/zinc/27/12/56/1034271256.db2.gz ZDEFONHCLWRAEC-SHTZXODSSA-N -1 3 377.444 3.800 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)c(Cl)c3N)nc21 ZINC001158873676 1034314142 /nfs/dbraw/zinc/31/41/42/1034314142.db2.gz TUKNJFZGXYWGSD-UHFFFAOYSA-N -1 3 393.230 3.881 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)C(C)=C3CCCC3)[n-]c2c(Br)c1 ZINC001158964444 1034360173 /nfs/dbraw/zinc/36/01/73/1034360173.db2.gz LFUFHLVMPCVRFU-UHFFFAOYSA-N -1 3 392.253 3.941 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1[n-]c(=O)nc3cccc(F)c31)C2 ZINC001231075275 1034379778 /nfs/dbraw/zinc/37/97/78/1034379778.db2.gz ZKKZQTJYXTZGSF-LBPRGKRZSA-N -1 3 389.427 3.643 20 0 GHADHM 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383.839 3.748 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001161683407 1035284551 /nfs/dbraw/zinc/28/45/51/1035284551.db2.gz FQYYSBLWOPDGHV-CQSZACIVSA-N -1 3 380.485 3.556 20 0 GHADHM COc1c(C(=O)[O-])cccc1-c1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001242926120 1035997251 /nfs/dbraw/zinc/99/72/51/1035997251.db2.gz FNMZEZWMTPXCFX-UHFFFAOYSA-N -1 3 386.467 3.726 20 0 GHADHM [O-]c1cccc(Cl)c1-c1cnc(N2CCOCC2)nc1OCc1ccccc1 ZINC001244046774 1036366042 /nfs/dbraw/zinc/36/60/42/1036366042.db2.gz AEJSLKFKECULTA-UHFFFAOYSA-N -1 3 397.862 3.918 20 0 GHADHM CCOC(=O)c1c(C)[nH]c2ncc(-c3cc(OC(F)(F)F)ccc3[O-])nc21 ZINC001244460074 1036511327 /nfs/dbraw/zinc/51/13/27/1036511327.db2.gz HBVXSRPNCUEWDY-UHFFFAOYSA-N -1 3 381.310 3.666 20 0 GHADHM COC(=O)c1cc(Cl)c(Cl)c([N-]C(=O)c2scc3c2OCCO3)c1 ZINC001462176549 1070054107 /nfs/dbraw/zinc/05/41/07/1070054107.db2.gz KFZGVZJVEVPGTR-UHFFFAOYSA-N -1 3 388.228 3.865 20 0 GHADHM COc1ccc(-c2noc(C3CC(=O)C=C([O-])C3)n2)cc1OCc1ccccc1 ZINC001247547008 1038243227 /nfs/dbraw/zinc/24/32/27/1038243227.db2.gz OTZYURUSJVNVTL-UHFFFAOYSA-N -1 3 392.411 3.730 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1 ZINC001247563986 1038250125 /nfs/dbraw/zinc/25/01/25/1038250125.db2.gz BZKOTOQOENRXFJ-UHFFFAOYSA-N -1 3 392.390 3.560 20 0 GHADHM COc1cc(Br)cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1 ZINC001247564877 1038250298 /nfs/dbraw/zinc/25/02/98/1038250298.db2.gz PSZQLXBQPJQXDN-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3cccc(I)c3)no2)cc1F ZINC001247564798 1038250616 /nfs/dbraw/zinc/25/06/16/1038250616.db2.gz MGQQIHOLRZVEHD-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccn4c(Br)cnc4c3)no2)cc1F ZINC001247571433 1038254648 /nfs/dbraw/zinc/25/46/48/1038254648.db2.gz QVSQQCPRGOHCAO-UHFFFAOYSA-N -1 3 389.184 3.582 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ncc1[O-] ZINC001277681105 1038325728 /nfs/dbraw/zinc/32/57/28/1038325728.db2.gz PONXRBIDTINWLV-OAGGEKHMSA-N -1 3 379.932 3.946 20 0 GHADHM [O-]c1cccc(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1Cl ZINC001232786390 1038553313 /nfs/dbraw/zinc/55/33/13/1038553313.db2.gz WLJVABYRPQBKEW-GHTZIAJQSA-N -1 3 388.895 3.891 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H]2c2cccnc2)cc1I ZINC001232868169 1038631404 /nfs/dbraw/zinc/63/14/04/1038631404.db2.gz MMDYKFPVMQHXPR-HNNXBMFYSA-N -1 3 380.229 3.729 20 0 GHADHM C[C@H]1Cc2ccccc2CN1Cc1ccc([O-])c(I)c1 ZINC001232870063 1038636734 /nfs/dbraw/zinc/63/67/34/1038636734.db2.gz MLPQKCYGGDRGNA-LBPRGKRZSA-N -1 3 379.241 3.944 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232936175 1038716453 /nfs/dbraw/zinc/71/64/53/1038716453.db2.gz QUMKQSQSGVXHAP-QFIPXVFZSA-N -1 3 384.426 3.571 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232976599 1038746396 /nfs/dbraw/zinc/74/63/96/1038746396.db2.gz YZXQDYABMTZWCD-IEBWSBKVSA-N -1 3 375.415 3.982 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)c1F ZINC001233394513 1039227444 /nfs/dbraw/zinc/22/74/44/1039227444.db2.gz QRXTTZINNNJXAC-LJQANCHMSA-N -1 3 395.400 3.803 20 0 GHADHM O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1 ZINC001233394753 1039228460 /nfs/dbraw/zinc/22/84/60/1039228460.db2.gz YTCSTUJQFBXBHL-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM CN1C[C@H](c2ccccc2)C2(CCN(Cc3c(F)ccc([O-])c3F)CC2)C1=O ZINC001233395341 1039229714 /nfs/dbraw/zinc/22/97/14/1039229714.db2.gz UMPAACVZSWRMTL-QGZVFWFLSA-N -1 3 386.442 3.508 20 0 GHADHM Cc1cccc(NC(=O)NC2CCN(Cc3c(F)ccc([O-])c3F)CC2)c1 ZINC001233396935 1039233219 /nfs/dbraw/zinc/23/32/19/1039233219.db2.gz DNJNJSMILDMESF-UHFFFAOYSA-N -1 3 375.419 3.765 20 0 GHADHM COc1ccc(CN2CCN(Cc3c(F)cccc3F)CC2)c(Cl)c1[O-] ZINC001233401543 1039243048 /nfs/dbraw/zinc/24/30/48/1039243048.db2.gz DOGQVLPGLPHSDL-UHFFFAOYSA-N -1 3 382.838 3.650 20 0 GHADHM COC(=O)[C@H]1CCN(Cc2ccc(OC)c([O-])c2Cl)[C@H]1c1ccccc1 ZINC001233402248 1039245003 /nfs/dbraw/zinc/24/50/03/1039245003.db2.gz HSIZMZDTHHWVGL-YJBOKZPZSA-N -1 3 375.852 3.790 20 0 GHADHM CC(C)CCC1CCN(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001252916577 1039255494 /nfs/dbraw/zinc/25/54/94/1039255494.db2.gz XNYDYDUVMYSFPT-UHFFFAOYSA-N -1 3 399.532 3.555 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1O ZINC001253046683 1039377386 /nfs/dbraw/zinc/37/73/86/1039377386.db2.gz AQOJJSDYGAJRCD-VAWYXSNFSA-N -1 3 375.446 3.760 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CCO[C@@H]21 ZINC001233591582 1039463653 /nfs/dbraw/zinc/46/36/53/1039463653.db2.gz HDFDPXZUUHDMKJ-QRTARXTBSA-N -1 3 383.872 3.900 20 0 GHADHM Cc1c(Cl)cc(NC[C@@](C)(O)C(=O)OCc2ccccc2)c([O-])c1Cl ZINC001253645961 1039751843 /nfs/dbraw/zinc/75/18/43/1039751843.db2.gz RCMRLDPETTXQMZ-GOSISDBHSA-N -1 3 384.259 3.914 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1cccc(C(F)(F)F)c1 ZINC001254283393 1040131624 /nfs/dbraw/zinc/13/16/24/1040131624.db2.gz BNZICDLVUHLSHS-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC001254295949 1040145597 /nfs/dbraw/zinc/14/55/97/1040145597.db2.gz CMCQSERLCMDQRS-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691894 1040224412 /nfs/dbraw/zinc/22/44/12/1040224412.db2.gz KJIMPGWNRGKJRY-INMHGKMJSA-N -1 3 383.448 3.626 20 0 GHADHM O=C(c1ccccn1)[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccn1 ZINC001234693554 1040226229 /nfs/dbraw/zinc/22/62/29/1040226229.db2.gz YNIUWBPXJWIVPQ-HXUWFJFHSA-N -1 3 384.395 3.642 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1C=C(C)OC(=O)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759324 1040289138 /nfs/dbraw/zinc/28/91/38/1040289138.db2.gz PFFPFHHNXKQYHK-YOEHRIQHSA-N -1 3 396.395 3.705 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCOC[C@@H]1F)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234763752 1040292649 /nfs/dbraw/zinc/29/26/49/1040292649.db2.gz XUOWDRGORWPTML-XKQJLSEDSA-N -1 3 388.391 3.613 20 0 GHADHM COc1cc(O[C@H]2COC[C@@H]2C)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234785106 1040316858 /nfs/dbraw/zinc/31/68/58/1040316858.db2.gz ZZVPRPKWBRCVEQ-BUXKBTBVSA-N -1 3 398.411 3.597 20 0 GHADHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791516 1040320777 /nfs/dbraw/zinc/32/07/77/1040320777.db2.gz NRJYBXFVAHCMRT-GOSISDBHSA-N -1 3 386.444 3.855 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1ccccc1 ZINC001234789626 1040320815 /nfs/dbraw/zinc/32/08/15/1040320815.db2.gz ASMQTNFQOJSING-OAQYLSRUSA-N -1 3 385.460 3.900 20 0 GHADHM COc1cc([O-])c(C)c(OC2CC(C(=O)OCc3ccccc3)C2)c1C(C)=O ZINC001234791243 1040321614 /nfs/dbraw/zinc/32/16/14/1040321614.db2.gz MBNPVBPUKVCREI-UHFFFAOYSA-N -1 3 384.428 3.813 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001255446600 1041048619 /nfs/dbraw/zinc/04/86/19/1041048619.db2.gz ADCBHMNYNWSGJL-HZSPNIEDSA-N -1 3 383.414 3.557 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccccc2F)c(Br)cc1F ZINC001255500973 1041095144 /nfs/dbraw/zinc/09/51/44/1041095144.db2.gz GVMGLQSPQMAVLD-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=c1cc(-c2nnc(-c3cc(F)cc(Br)c3)o2)nc(C2CC2)[n-]1 ZINC001255940613 1041428522 /nfs/dbraw/zinc/42/85/22/1041428522.db2.gz BDVDSNAQZNHZFC-UHFFFAOYSA-N -1 3 377.173 3.678 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001256077209 1041511195 /nfs/dbraw/zinc/51/11/95/1041511195.db2.gz HXKMLLSHWSVGFY-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)C1CCOCC1)c1ccc(F)cc1F ZINC001256098120 1041526394 /nfs/dbraw/zinc/52/63/94/1041526394.db2.gz GJIODWPHBRWGFO-SFHVURJKSA-N -1 3 385.407 3.550 20 0 GHADHM CC(C)N1CCN(c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3F)cn2)CC1 ZINC001236151966 1041573723 /nfs/dbraw/zinc/57/37/23/1041573723.db2.gz HKUXFBQXCLNVSL-UHFFFAOYSA-N -1 3 377.847 3.770 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3ccc(F)c(Cl)c3F)CC2)s1 ZINC001237160861 1042071909 /nfs/dbraw/zinc/07/19/09/1042071909.db2.gz KMKLBNSZRDXBDM-UHFFFAOYSA-N -1 3 380.247 3.756 20 0 GHADHM CCOC(=O)CCC1CCN(Cc2c(Br)ccc([O-])c2F)CC1 ZINC001238306881 1042549900 /nfs/dbraw/zinc/54/99/00/1042549900.db2.gz LYRHKLBCFVSFKA-UHFFFAOYSA-N -1 3 388.277 3.849 20 0 GHADHM CCOc1cc(CNc2ccc(N3CCOCC3=O)c(C)c2)cc(Cl)c1[O-] ZINC001462634012 1070431445 /nfs/dbraw/zinc/43/14/45/1070431445.db2.gz LPXIMWOBTMIIOK-UHFFFAOYSA-N -1 3 390.867 3.728 20 0 GHADHM O=C(c1cccnc1-c1ccc([O-])c(F)c1)N1CCN(Cc2ccccc2)CC1 ZINC001240781786 1042954106 /nfs/dbraw/zinc/95/41/06/1042954106.db2.gz IZJKTZLLVDWTSS-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM CCOC(=O)c1sc2nc(CN(C)C)nc(-c3ccc([O-])c(F)c3)c2c1C ZINC001240782972 1042954522 /nfs/dbraw/zinc/95/45/22/1042954522.db2.gz MBZDOVPRTYPYSV-UHFFFAOYSA-N -1 3 389.452 3.750 20 0 GHADHM O=C(NCc1ccccc1OCc1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001291619875 1043359965 /nfs/dbraw/zinc/35/99/65/1043359965.db2.gz FECRKPWROICWGW-UHFFFAOYSA-N -1 3 375.428 3.569 20 0 GHADHM COCCOCc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001291686055 1043393918 /nfs/dbraw/zinc/39/39/18/1043393918.db2.gz OBTQVILAJDVXKD-UHFFFAOYSA-N -1 3 380.238 3.570 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1 ZINC001256541941 1043493655 /nfs/dbraw/zinc/49/36/55/1043493655.db2.gz RNTAXKUUHCPOEC-JTQLQIEISA-N -1 3 386.709 3.720 20 0 GHADHM Nc1c(Cl)c(F)cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1Cl ZINC001291938449 1043538722 /nfs/dbraw/zinc/53/87/22/1043538722.db2.gz CFPBIALLZHHVOE-UHFFFAOYSA-N -1 3 375.134 3.837 20 0 GHADHM CCOc1ccc(C[C@H](CNC(=O)c2ccc(C(C)C)cc2[O-])C(=O)OC)cc1 ZINC001292130432 1043600171 /nfs/dbraw/zinc/60/01/71/1043600171.db2.gz NGPXCVJCNKQNPL-GOSISDBHSA-N -1 3 399.487 3.676 20 0 GHADHM CC(C)(CNC(=O)c1ncc2ccccc2c1[O-])N1CCc2ccccc2C1 ZINC001292151104 1043605590 /nfs/dbraw/zinc/60/55/90/1043605590.db2.gz VBFQCYODGLTPJM-UHFFFAOYSA-N -1 3 375.472 3.507 20 0 GHADHM CCCCn1nccc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001292360667 1043704442 /nfs/dbraw/zinc/70/44/42/1043704442.db2.gz JMBQKRHLMGDTQA-UHFFFAOYSA-N -1 3 389.253 3.540 20 0 GHADHM Cc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001292432550 1043730766 /nfs/dbraw/zinc/73/07/66/1043730766.db2.gz HLILERJZISUJMC-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001292432550 1043730771 /nfs/dbraw/zinc/73/07/71/1043730771.db2.gz HLILERJZISUJMC-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(COC(C)(C)C)c2)c1 ZINC001292507779 1043767056 /nfs/dbraw/zinc/76/70/56/1043767056.db2.gz JSUXFSNSRSGVQK-UHFFFAOYSA-N -1 3 382.460 3.762 20 0 GHADHM O=C(c1cccc([O-])c1Cl)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001278996167 1043904423 /nfs/dbraw/zinc/90/44/23/1043904423.db2.gz GSOXQUUKDGPZDJ-WCQYABFASA-N -1 3 376.806 3.534 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)COC1)c1cccc(Cl)c1Cl ZINC001257284348 1043956241 /nfs/dbraw/zinc/95/62/41/1043956241.db2.gz DGUHLLRJFRJULR-UHFFFAOYSA-N -1 3 392.691 3.851 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nnc([C@H]3C[C@@H]3c3ccc(C)cc3)o2)c1C ZINC001257335715 1043966642 /nfs/dbraw/zinc/96/66/42/1043966642.db2.gz SWIIJLVCCFSJLX-MOPGFXCFSA-N -1 3 375.428 3.901 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC001257770502 1044162072 /nfs/dbraw/zinc/16/20/72/1044162072.db2.gz GNCKYZSCXLSGCU-UHFFFAOYSA-N -1 3 378.664 3.808 20 0 GHADHM COc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC001257780402 1044167731 /nfs/dbraw/zinc/16/77/31/1044167731.db2.gz NTPQKJDEOMWWKX-ZDUSSCGKSA-N -1 3 386.300 3.838 20 0 GHADHM COCc1cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccc1F ZINC001293443826 1044184116 /nfs/dbraw/zinc/18/41/16/1044184116.db2.gz YDJNQZZSWYFMTB-UHFFFAOYSA-N -1 3 395.456 3.706 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Cl)c1cccc(Br)c1 ZINC001257811650 1044193314 /nfs/dbraw/zinc/19/33/14/1044193314.db2.gz NNJSIHDHWNQDIT-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1ccc(Br)s1 ZINC001462801280 1070555143 /nfs/dbraw/zinc/55/51/43/1070555143.db2.gz IUDIUFXJYRTHJH-LBPRGKRZSA-N -1 3 386.336 3.909 20 0 GHADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001462817612 1070568773 /nfs/dbraw/zinc/56/87/73/1070568773.db2.gz RESHBFBRTAEQCE-GHMZBOCLSA-N -1 3 379.931 3.744 20 0 GHADHM CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1c(Cl)cc([O-])cc1Cl ZINC001279081303 1044457582 /nfs/dbraw/zinc/45/75/82/1044457582.db2.gz HDMNDKWXYHVTLU-YHWZYXNKSA-N -1 3 386.323 3.902 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1F ZINC001294118169 1044479880 /nfs/dbraw/zinc/47/98/80/1044479880.db2.gz VRHXGCDSBMDLDC-UHFFFAOYSA-N -1 3 395.434 3.825 20 0 GHADHM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1c(Cl)cc([O-])cc1Cl ZINC001279084852 1044480419 /nfs/dbraw/zinc/48/04/19/1044480419.db2.gz WYZLENSFEXGYCT-BETUJISGSA-N -1 3 397.327 3.788 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001294365267 1044591489 /nfs/dbraw/zinc/59/14/89/1044591489.db2.gz IGTHURJGJFPBSR-UHFFFAOYSA-N -1 3 379.294 3.727 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccccc1NC(=O)OC(C)(C)C ZINC001258762344 1044750978 /nfs/dbraw/zinc/75/09/78/1044750978.db2.gz WGRWJNIQOZCSLP-LLVKDONJSA-N -1 3 395.481 3.678 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001258804957 1044770744 /nfs/dbraw/zinc/77/07/44/1044770744.db2.gz KKCYSEWDSHMVKE-LLVKDONJSA-N -1 3 395.481 3.678 20 0 GHADHM COc1cccc2c([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)cccc12 ZINC001258987203 1044920104 /nfs/dbraw/zinc/92/01/04/1044920104.db2.gz BKVXCDZGLKPJNM-SPLOXXLWSA-N -1 3 387.501 3.986 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ccncc21)c1ccc(Br)s1 ZINC001259060625 1044942264 /nfs/dbraw/zinc/94/22/64/1044942264.db2.gz ZRROQFJJEVLMPW-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CC1)c1ccc(Br)s1 ZINC001259063058 1044943546 /nfs/dbraw/zinc/94/35/46/1044943546.db2.gz PXYGDUHVWAETNS-UHFFFAOYSA-N -1 3 390.299 3.703 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccco3)ccc2C)c(C)c1 ZINC001259101394 1044962179 /nfs/dbraw/zinc/96/21/79/1044962179.db2.gz BCJJXKRUXZNSBM-UHFFFAOYSA-N -1 3 398.484 3.936 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c(F)cc1Cl ZINC001259242004 1045037932 /nfs/dbraw/zinc/03/79/32/1045037932.db2.gz KRSCASNDIKTJRS-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC001259246004 1045040191 /nfs/dbraw/zinc/04/01/91/1045040191.db2.gz VNTYCEFCSIJGPZ-GOSISDBHSA-N -1 3 395.908 3.672 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(F)c1 ZINC001259335819 1045086873 /nfs/dbraw/zinc/08/68/73/1045086873.db2.gz FVMUDSYZZQOXAJ-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1F)c1ccc2c(c1)OCCO2 ZINC001259345153 1045091353 /nfs/dbraw/zinc/09/13/53/1045091353.db2.gz SRGNGDZTJBJAOF-UHFFFAOYSA-N -1 3 396.198 3.844 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001259407591 1045130972 /nfs/dbraw/zinc/13/09/72/1045130972.db2.gz QEPZCEZRFOWEON-UHFFFAOYSA-N -1 3 383.853 3.715 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1cc(Cl)ccc1F ZINC001259459908 1045175485 /nfs/dbraw/zinc/17/54/85/1045175485.db2.gz HLYSVHVYNDQUIF-QGZVFWFLSA-N -1 3 382.888 3.595 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1Cl)C1CC1)c1cccc(Cl)c1F ZINC001259473337 1045185441 /nfs/dbraw/zinc/18/54/41/1045185441.db2.gz KIAISRXSXNSORK-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-]c1ccccc1CN1CCCCC1)c1cc(F)c(F)c(F)c1 ZINC001259500106 1045205231 /nfs/dbraw/zinc/20/52/31/1045205231.db2.gz IWMJUPQRPXKBQW-UHFFFAOYSA-N -1 3 384.423 3.891 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cccc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC001259503180 1045207780 /nfs/dbraw/zinc/20/77/80/1045207780.db2.gz LIFYGSJCGPASPK-GOSISDBHSA-N -1 3 395.402 3.659 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1F ZINC001259513102 1045214864 /nfs/dbraw/zinc/21/48/64/1045214864.db2.gz VAQJLGFWCSTPQZ-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2F)c(Br)cc1F ZINC001259638693 1045253558 /nfs/dbraw/zinc/25/35/58/1045253558.db2.gz VELOSUUYCJHWOR-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc(-c2cnco2)c(OC(F)F)c1 ZINC001259739183 1045280840 /nfs/dbraw/zinc/28/08/40/1045280840.db2.gz RBRKAIXUHICYIF-UHFFFAOYSA-N -1 3 394.399 3.927 20 0 GHADHM O=C(CCCOc1cccc(Br)c1)[N-]OCc1ccc(F)cc1 ZINC001296233852 1045284482 /nfs/dbraw/zinc/28/44/82/1045284482.db2.gz KXOWJDHRLWHBAR-UHFFFAOYSA-N -1 3 382.229 3.995 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(C)c2)cc1C(F)(F)F ZINC001259750387 1045286006 /nfs/dbraw/zinc/28/60/06/1045286006.db2.gz SFXVLRWSBYTENW-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)c(F)c2)cc1 ZINC001259900009 1045331229 /nfs/dbraw/zinc/33/12/29/1045331229.db2.gz FROWMGXOCWKOHG-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM COc1c(F)cccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260208065 1045414927 /nfs/dbraw/zinc/41/49/27/1045414927.db2.gz DXZLMESSCLITMY-QMMMGPOBSA-N -1 3 379.787 3.805 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccc(Cl)cc1 ZINC001296983298 1045417803 /nfs/dbraw/zinc/41/78/03/1045417803.db2.gz HXXIAAVLJKWNLG-MRXNPFEDSA-N -1 3 387.842 3.766 20 0 GHADHM O=c1[nH]ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1Cl ZINC001260266698 1045433069 /nfs/dbraw/zinc/43/30/69/1045433069.db2.gz ILOHNAJOPJXAOR-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C1CC1)c1ccc(Br)cc1F ZINC001260380014 1045483265 /nfs/dbraw/zinc/48/32/65/1045483265.db2.gz IGLKVTFIUIDRGF-UHFFFAOYSA-N -1 3 384.270 3.944 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](O)CC2 ZINC001260462280 1045503192 /nfs/dbraw/zinc/50/31/92/1045503192.db2.gz FRLKUBUMCPIFLM-OAHLLOKOSA-N -1 3 382.279 3.538 20 0 GHADHM O=S(=O)([N-][C@H](C1CCC1)C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC001260501641 1045521263 /nfs/dbraw/zinc/52/12/63/1045521263.db2.gz KCWMLBQMGWWIEV-LLVKDONJSA-N -1 3 377.306 3.595 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])n[nH]1 ZINC001297452115 1045527574 /nfs/dbraw/zinc/52/75/74/1045527574.db2.gz SOSGQDHCYMBIKU-NWDGAFQWSA-N -1 3 382.420 3.587 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1C(F)(F)F)c1ccc(-c2ccccn2)s1 ZINC001260538046 1045535064 /nfs/dbraw/zinc/53/50/64/1045535064.db2.gz KCAVOSSHKKANDN-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Br)cc1C ZINC001260633794 1045583061 /nfs/dbraw/zinc/58/30/61/1045583061.db2.gz YKRBLQRNWVJTPZ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)cc1F ZINC001260661594 1045597239 /nfs/dbraw/zinc/59/72/39/1045597239.db2.gz QCPNMAAVXGDRKX-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM CCOC(=O)c1c([N-]S(=O)(=O)[C@H](C)CC)c(C)cn1Cc1ccccc1 ZINC001260724250 1045628997 /nfs/dbraw/zinc/62/89/97/1045628997.db2.gz NQXIYNIORYPAOG-OAHLLOKOSA-N -1 3 378.494 3.562 20 0 GHADHM CS(=O)(=O)c1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1F ZINC001297918786 1045657972 /nfs/dbraw/zinc/65/79/72/1045657972.db2.gz DQXUQCBCXOIOBK-UHFFFAOYSA-N -1 3 399.443 3.778 20 0 GHADHM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC001260834426 1045702167 /nfs/dbraw/zinc/70/21/67/1045702167.db2.gz RLTGUBPVKGFEHF-UHFFFAOYSA-N -1 3 385.844 3.906 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001260886459 1045742763 /nfs/dbraw/zinc/74/27/63/1045742763.db2.gz HEOVLHBQYJJPKI-UHFFFAOYSA-N -1 3 386.233 3.935 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccncc1 ZINC001260910624 1045766300 /nfs/dbraw/zinc/76/63/00/1045766300.db2.gz GZTXJCFAIWMCEZ-CYBMUJFWSA-N -1 3 391.237 3.552 20 0 GHADHM CC1(C)CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC001260982711 1045798356 /nfs/dbraw/zinc/79/83/56/1045798356.db2.gz CPRJCPWZUMUMKS-UHFFFAOYSA-N -1 3 384.501 3.986 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2ccccc12 ZINC001261005611 1045823601 /nfs/dbraw/zinc/82/36/01/1045823601.db2.gz SOYSJABAOOYUJA-UHFFFAOYSA-N -1 3 386.326 3.899 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1ccc(F)cc1C(F)(F)F ZINC001261009785 1045827458 /nfs/dbraw/zinc/82/74/58/1045827458.db2.gz LTXFJNZEEPHNMP-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM O=S(=O)([N-]Cc1ccnc2ccccc12)c1ccc(F)cc1C(F)(F)F ZINC001261010969 1045829678 /nfs/dbraw/zinc/82/96/78/1045829678.db2.gz FOUFIIULEKNZJY-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1ccc(F)cc1C(F)(F)F ZINC001261011212 1045832033 /nfs/dbraw/zinc/83/20/33/1045832033.db2.gz LAKOFVQPHUXKLC-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261011352 1045832186 /nfs/dbraw/zinc/83/21/86/1045832186.db2.gz NYGURBAHPXNCDJ-SNVBAGLBSA-N -1 3 379.350 3.893 20 0 GHADHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)nc1 ZINC001261013507 1045835708 /nfs/dbraw/zinc/83/57/08/1045835708.db2.gz FDBDCFJFXNMRSK-UHFFFAOYSA-N -1 3 388.386 3.558 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccc(O)cc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC001261014487 1045838789 /nfs/dbraw/zinc/83/87/89/1045838789.db2.gz NAKDTEUHVYUCOE-UHFFFAOYSA-N -1 3 389.370 3.604 20 0 GHADHM CC(C)(Cc1ccncc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261014445 1045839089 /nfs/dbraw/zinc/83/90/89/1045839089.db2.gz ZWXRGYQESPBURU-UHFFFAOYSA-N -1 3 376.375 3.539 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1csc(-c2cnccn2)n1 ZINC001298514034 1045845145 /nfs/dbraw/zinc/84/51/45/1045845145.db2.gz SGBQNTPNDVFGHD-UHFFFAOYSA-N -1 3 391.250 3.629 20 0 GHADHM COc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(OC)n1 ZINC001298837964 1045962047 /nfs/dbraw/zinc/96/20/47/1045962047.db2.gz QPCHMDIFSYWNTM-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM CC(C)(C)Oc1cccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)n1 ZINC001261520871 1046019712 /nfs/dbraw/zinc/01/97/12/1046019712.db2.gz HXHPEOLVDAVKKQ-SJORKVTESA-N -1 3 390.430 3.837 20 0 GHADHM Cc1nc(-c2cc(NC(=O)Cc3ccc([O-])c(F)c3)cc(C(F)(F)F)c2)n[nH]1 ZINC001299784002 1046034514 /nfs/dbraw/zinc/03/45/14/1046034514.db2.gz TVUMHIOLCWXTRB-UHFFFAOYSA-N -1 3 394.328 3.825 20 0 GHADHM O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001262142358 1046200428 /nfs/dbraw/zinc/20/04/28/1046200428.db2.gz VCRSHCCUTNUCEI-AWEZNQCLSA-N -1 3 375.428 3.759 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001463041394 1070751725 /nfs/dbraw/zinc/75/17/25/1070751725.db2.gz PYAPNUDYGDGAOB-AWEZNQCLSA-N -1 3 393.465 3.602 20 0 GHADHM CC(C)OCc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC001262605222 1046277866 /nfs/dbraw/zinc/27/78/66/1046277866.db2.gz RCYFOTHVPYRMKJ-UHFFFAOYSA-N -1 3 396.896 3.889 20 0 GHADHM O=C([N-][C@@H]1CCOC12CCOCC2)C(F)(F)c1cc(Cl)ccc1Cl ZINC001262816389 1046358655 /nfs/dbraw/zinc/35/86/55/1046358655.db2.gz VWQCHASCFVOYRR-CYBMUJFWSA-N -1 3 380.218 3.540 20 0 GHADHM O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001301140125 1046368962 /nfs/dbraw/zinc/36/89/62/1046368962.db2.gz HTHJXVHJOSNUMI-MRXNPFEDSA-N -1 3 392.308 3.845 20 0 GHADHM CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001301317024 1046480343 /nfs/dbraw/zinc/48/03/43/1046480343.db2.gz XPWMYYCEEAJMOH-CYBMUJFWSA-N -1 3 391.244 3.611 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC001463091744 1070786703 /nfs/dbraw/zinc/78/67/03/1070786703.db2.gz PZDIKGKWBUIMTL-GFCCVEGCSA-N -1 3 386.336 3.827 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001301585396 1046609666 /nfs/dbraw/zinc/60/96/66/1046609666.db2.gz PBOSAIVECXFTTA-JTQLQIEISA-N -1 3 384.823 3.537 20 0 GHADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cs1 ZINC001301658759 1046646761 /nfs/dbraw/zinc/64/67/61/1046646761.db2.gz WPEKQUOPYDBUEL-UHFFFAOYSA-N -1 3 379.438 3.577 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cscc1Br)c1nc(C)cs1 ZINC001463116238 1070809860 /nfs/dbraw/zinc/80/98/60/1070809860.db2.gz CCAFOVACMMOPJF-LBPRGKRZSA-N -1 3 395.369 3.879 20 0 GHADHM O=C([N-][C@@H](CO)[C@H](O)C1CCCCC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001301845467 1046729071 /nfs/dbraw/zinc/72/90/71/1046729071.db2.gz GKDVZFRFOGDLGS-LSDHHAIUSA-N -1 3 396.261 3.504 20 0 GHADHM O=C([N-]Cc1cc(F)c(Br)cc1F)C(F)(F)C1(O)CCCCC1 ZINC001302491088 1046954468 /nfs/dbraw/zinc/95/44/68/1046954468.db2.gz YEIPNZKNULXTCK-UHFFFAOYSA-N -1 3 398.194 3.674 20 0 GHADHM O=C(/C=C/c1cccs1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302618377 1047008077 /nfs/dbraw/zinc/00/80/77/1047008077.db2.gz RJCIDFFQLKGYEH-GWJCSSMESA-N -1 3 394.418 3.960 20 0 GHADHM Cc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1C(=O)c1ccccc1 ZINC001302703202 1047051092 /nfs/dbraw/zinc/05/10/92/1047051092.db2.gz MCLWRYZUJFTPHG-UHFFFAOYSA-N -1 3 375.428 3.520 20 0 GHADHM O=C(Nc1cc(F)cc(OC(F)F)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001302739666 1047077950 /nfs/dbraw/zinc/07/79/50/1047077950.db2.gz GRUGVEPCRSEQGA-UHFFFAOYSA-N -1 3 384.260 3.799 20 0 GHADHM O=C(Nc1cccc(-n2cnnc2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001263918823 1047186239 /nfs/dbraw/zinc/18/62/39/1047186239.db2.gz VUOBRGSIZAARQU-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3cc(C)c(C)cc3C)cs2)n1 ZINC001264059849 1047229705 /nfs/dbraw/zinc/22/97/05/1047229705.db2.gz BHNHYGZZDRORBG-UHFFFAOYSA-N -1 3 384.461 3.795 20 0 GHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC001463178421 1070884233 /nfs/dbraw/zinc/88/42/33/1070884233.db2.gz RFZVHVXQSNVVFV-LBPRGKRZSA-N -1 3 393.436 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ZINC001303794127 1047514447 /nfs/dbraw/zinc/51/44/47/1047514447.db2.gz KWJVDLSKVPTJRS-MENFKHAKSA-N -1 3 386.879 3.901 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)COc2ccccc2Cc2ccccc2)[n-]n1 ZINC001304100540 1047587260 /nfs/dbraw/zinc/58/72/60/1047587260.db2.gz CROZZRIMGRKAEC-UHFFFAOYSA-N -1 3 393.443 3.583 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)COc2ccccc2Cc2ccccc2)n[n-]1 ZINC001304100540 1047587262 /nfs/dbraw/zinc/58/72/62/1047587262.db2.gz CROZZRIMGRKAEC-UHFFFAOYSA-N -1 3 393.443 3.583 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2coc3cc(C)c(C)cc23)c([O-])c(OC)c1 ZINC001304499115 1047694190 /nfs/dbraw/zinc/69/41/90/1047694190.db2.gz VUVMYAVAQHUHQX-UHFFFAOYSA-N -1 3 383.400 3.732 20 0 GHADHM O=C(C=CCCc1ccccc1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304568236 1047716013 /nfs/dbraw/zinc/71/60/13/1047716013.db2.gz UIGJRXVPZIRXDE-ZSOIEALJSA-N -1 3 375.428 3.894 20 0 GHADHM O=C(/C=C\CCc1ccccc1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304568236 1047716019 /nfs/dbraw/zinc/71/60/19/1047716019.db2.gz UIGJRXVPZIRXDE-ZSOIEALJSA-N -1 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COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1CC(C)(C)CC(C)(C)C1 ZINC001309663201 1050908130 /nfs/dbraw/zinc/90/81/30/1050908130.db2.gz NVKXHGYZNARZTD-UHFFFAOYSA-N -1 3 385.501 3.743 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCCC(C)(C)C1 ZINC001309692765 1050923323 /nfs/dbraw/zinc/92/33/23/1050923323.db2.gz MAGFYXOLFDCBRR-PEKVBPLLSA-N -1 3 385.913 3.742 20 0 GHADHM O=S(=O)([N-][C@H](C(F)F)C1CCCCC1)c1cnc2onc(C3CC3)c2c1 ZINC001309697769 1050925152 /nfs/dbraw/zinc/92/51/52/1050925152.db2.gz JUSZNLVVPYGEDT-HNNXBMFYSA-N -1 3 385.436 3.593 20 0 GHADHM C[C@@]1(CS(=O)(=O)[N-]CC(=O)c2cc3ccccc3s2)CC1(Cl)Cl ZINC001309781701 1050971133 /nfs/dbraw/zinc/97/11/33/1050971133.db2.gz FPGJZDXDGGJVLB-AWEZNQCLSA-N -1 3 392.329 3.587 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCC1(F)F)c1sc2ccccc2c1Cl ZINC001309800126 1050979971 /nfs/dbraw/zinc/97/99/71/1050979971.db2.gz KRPXNOCOFVNLOF-SECBINFHSA-N -1 3 393.864 3.702 20 0 GHADHM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001309854209 1051006151 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GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1ccc([C@@H]2CCCOC2)cc1 ZINC001332233846 1051489216 /nfs/dbraw/zinc/48/92/16/1051489216.db2.gz GXHRRLQPAKAWAA-MRXNPFEDSA-N -1 3 380.400 3.693 20 0 GHADHM CN(C)c1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c(C(F)(F)F)c1 ZINC000905738481 1051819261 /nfs/dbraw/zinc/81/92/61/1051819261.db2.gz ICMJIKSLNRKJLU-LBPRGKRZSA-N -1 3 399.438 3.916 20 0 GHADHM Cc1noc([C@H]2CCCN(c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)n1 ZINC001336987908 1052374393 /nfs/dbraw/zinc/37/43/93/1052374393.db2.gz VOWSLIZIFYMFPL-INIZCTEOSA-N -1 3 398.488 3.563 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2NC2CCC2)c(Cl)c1 ZINC001337284644 1052440391 /nfs/dbraw/zinc/44/03/91/1052440391.db2.gz VKSXJOAWTTVQKM-UHFFFAOYSA-N -1 3 393.896 3.928 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2CC(C)C)cc(=O)[n-]1 ZINC001343025227 1053504545 /nfs/dbraw/zinc/50/45/45/1053504545.db2.gz GRTGODUXYJYLCG-SFHVURJKSA-N -1 3 378.480 3.747 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3)[C@H](C)CO)cc2)cc(=O)[n-]1 ZINC001343071873 1053532288 /nfs/dbraw/zinc/53/22/88/1053532288.db2.gz RJYQROXBZONQSS-OAHLLOKOSA-N -1 3 392.459 3.573 20 0 GHADHM Cc1ccn(-c2cccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)c2)n1 ZINC001343309724 1053695341 /nfs/dbraw/zinc/69/53/41/1053695341.db2.gz PMVUURKIGABGCJ-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM Cc1nc(-c2nnc(N(C)C3CCCCC3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001344091654 1054241755 /nfs/dbraw/zinc/24/17/55/1054241755.db2.gz AFEPNJOFZNLBKV-UHFFFAOYSA-N -1 3 378.480 3.566 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1OC)c1cc(F)ccc1F ZINC001318661566 1054780836 /nfs/dbraw/zinc/78/08/36/1054780836.db2.gz NQLHONOMBZLJJE-CQSZACIVSA-N -1 3 377.359 3.681 20 0 GHADHM Cc1nc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CC2CC2)cc(=O)[n-]1 ZINC001345201912 1054939300 /nfs/dbraw/zinc/93/93/00/1054939300.db2.gz KJIDCBVLEBTYBJ-UHFFFAOYSA-N -1 3 390.900 3.510 20 0 GHADHM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1(C)C ZINC001318959287 1054965433 /nfs/dbraw/zinc/96/54/33/1054965433.db2.gz JMDBRNDNSFDQPM-UHFFFAOYSA-N -1 3 390.480 3.887 20 0 GHADHM Cn1nc(C(C)(C)C)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001319198846 1055092741 /nfs/dbraw/zinc/09/27/41/1055092741.db2.gz KAIUCUWYSSUPNX-UHFFFAOYSA-N -1 3 381.274 3.507 20 0 GHADHM CCO[C@@H]1C[C@@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C12CCOCC2 ZINC001345657753 1055188992 /nfs/dbraw/zinc/18/89/92/1055188992.db2.gz AFTGTBKLAKOKRE-ZIAGYGMSSA-N -1 3 380.391 3.632 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ncoc2[C@H]2CCCO2)nc1C(C)C ZINC001319616213 1055360780 /nfs/dbraw/zinc/36/07/80/1055360780.db2.gz GSWSBHYJEPYPBS-SNVBAGLBSA-N -1 3 379.438 3.535 20 0 GHADHM COc1cc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc(OC)c1[O-] ZINC001320220070 1055711915 /nfs/dbraw/zinc/71/19/15/1055711915.db2.gz XPRHNZCLZFSLRP-UHFFFAOYSA-N -1 3 395.377 3.743 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1Cc2cccc(Br)c2C1 ZINC001320478065 1055826097 /nfs/dbraw/zinc/82/60/97/1055826097.db2.gz CPOPJKWFSQRTGY-UHFFFAOYSA-N -1 3 376.254 3.533 20 0 GHADHM CCCCc1nc(NC(=O)c2csc(-c3ccco3)n2)c(C(=O)OCC)[n-]1 ZINC001320849612 1055986500 /nfs/dbraw/zinc/98/65/00/1055986500.db2.gz RCCDSQUIAFVYCL-UHFFFAOYSA-N -1 3 388.449 3.898 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(NC(=S)NCC2CCC2)c1 ZINC001321454856 1056270070 /nfs/dbraw/zinc/27/00/70/1056270070.db2.gz WTSZRDVAHRGVEJ-UHFFFAOYSA-N -1 3 393.509 3.713 20 0 GHADHM COC(=O)c1ccc([O-])cc1NC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200541646 1056276383 /nfs/dbraw/zinc/27/63/83/1056276383.db2.gz AXPMMOOPGDDANT-UHFFFAOYSA-N -1 3 396.852 3.658 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000847965515 1056294021 /nfs/dbraw/zinc/29/40/21/1056294021.db2.gz SLAPGORVVXVRPW-UHFFFAOYSA-N -1 3 386.345 3.878 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001321854990 1056420296 /nfs/dbraw/zinc/42/02/96/1056420296.db2.gz ANHWCDWQZXWHRZ-UHFFFAOYSA-N -1 3 380.275 3.921 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C(F)(F)F)ccc1F ZINC001200593929 1056428168 /nfs/dbraw/zinc/42/81/68/1056428168.db2.gz OTMFKJUSWAXDER-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM CC(C)c1noc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001322654181 1056786182 /nfs/dbraw/zinc/78/61/82/1056786182.db2.gz GUYKZRDHIRZDOF-UHFFFAOYSA-N -1 3 379.460 3.656 20 0 GHADHM Cc1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc(NC(=O)OC(C)(C)C)c1 ZINC000848197657 1056856403 /nfs/dbraw/zinc/85/64/03/1056856403.db2.gz TZJGXXAWMKHOTN-UHFFFAOYSA-N -1 3 398.463 3.645 20 0 GHADHM COc1cnc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)c(Br)c1 ZINC001354980101 1057002950 /nfs/dbraw/zinc/00/29/50/1057002950.db2.gz OUOJHQPEODCZBY-UHFFFAOYSA-N -1 3 388.168 3.908 20 0 GHADHM CC(C)C[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001323734593 1057006435 /nfs/dbraw/zinc/00/64/35/1057006435.db2.gz JAMWVXQLQLLHDL-INIZCTEOSA-N -1 3 392.496 3.643 20 0 GHADHM CCCC[C@H](CC)CNC(=S)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848654481 1057224916 /nfs/dbraw/zinc/22/49/16/1057224916.db2.gz STMCMCCXVKBYEW-HZSPNIEDSA-N -1 3 381.508 3.609 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C2CCC2)cc1)c1cccc(Br)n1 ZINC001475196834 1057287204 /nfs/dbraw/zinc/28/72/04/1057287204.db2.gz QYBHNSKJEHCGMP-UHFFFAOYSA-N -1 3 381.295 3.590 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccnc1OCC(F)F ZINC000485134560 1057604684 /nfs/dbraw/zinc/60/46/84/1057604684.db2.gz VVWWRUWCLPRUHT-UHFFFAOYSA-N -1 3 385.330 3.509 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c(Cl)cc(F)cc1Br ZINC001439512332 1058201968 /nfs/dbraw/zinc/20/19/68/1058201968.db2.gz QGAXFJYRQDUVDB-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cc(F)cc1Br ZINC001439512332 1058201982 /nfs/dbraw/zinc/20/19/82/1058201982.db2.gz QGAXFJYRQDUVDB-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)nc(Cl)c3)nc21 ZINC001440002693 1058384521 /nfs/dbraw/zinc/38/45/21/1058384521.db2.gz QKNROJYMGWWSIP-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@H](C)CC(C)C)[n-]c2c(Br)c1 ZINC001440031300 1058393569 /nfs/dbraw/zinc/39/35/69/1058393569.db2.gz ZTHZOGNQYIDSIT-SECBINFHSA-N -1 3 382.258 3.733 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001440746313 1058607913 /nfs/dbraw/zinc/60/79/13/1058607913.db2.gz ZOQUEBAKYAZHIG-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM Cc1cccnc1[C@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001475781383 1058794540 /nfs/dbraw/zinc/79/45/40/1058794540.db2.gz SEXUFBWRKICBPQ-NSHDSACASA-N -1 3 395.278 3.938 20 0 GHADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC001442053779 1058907988 /nfs/dbraw/zinc/90/79/88/1058907988.db2.gz RXVCOXBNXHXWRZ-CQSZACIVSA-N -1 3 389.293 3.719 20 0 GHADHM COc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c(OC)n1 ZINC001442472151 1058965560 /nfs/dbraw/zinc/96/55/60/1058965560.db2.gz NTTLOQQXYXJLBA-UHFFFAOYSA-N -1 3 378.428 3.842 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1F ZINC001339221738 1059019377 /nfs/dbraw/zinc/01/93/77/1059019377.db2.gz AYIVFLYLBPEXSA-NSHDSACASA-N -1 3 391.321 3.550 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Nc2ccccc2C(C)C)cc1 ZINC001443447464 1059133029 /nfs/dbraw/zinc/13/30/29/1059133029.db2.gz PQDDKBNLKLNVMD-IBGZPJMESA-N -1 3 378.476 3.795 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001339365277 1059144204 /nfs/dbraw/zinc/14/42/04/1059144204.db2.gz ZYCDWORCODXHNZ-SCTDSRPQSA-N -1 3 390.491 3.542 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1ncn(Cc2cccnc2)n1 ZINC001339488702 1059249918 /nfs/dbraw/zinc/24/99/18/1059249918.db2.gz DURBYHSLFGQRJR-UHFFFAOYSA-N -1 3 394.822 3.591 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001445163415 1059471346 /nfs/dbraw/zinc/47/13/46/1059471346.db2.gz WNYNHQQPHPBXAA-WMLDXEAASA-N -1 3 376.497 3.720 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3c(F)ccc(F)c3C2)s1 ZINC001445229700 1059482359 /nfs/dbraw/zinc/48/23/59/1059482359.db2.gz IXZCEYOXSTZUQJ-UHFFFAOYSA-N -1 3 395.431 3.967 20 0 GHADHM COc1ccc(C[C@@H]2CCN2C(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001445469331 1059538075 /nfs/dbraw/zinc/53/80/75/1059538075.db2.gz WZQLCRVSTKLEEG-HNNXBMFYSA-N -1 3 376.250 3.621 20 0 GHADHM COC(=O)CCCc1csc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001445552733 1059563287 /nfs/dbraw/zinc/56/32/87/1059563287.db2.gz QVCYVIKSWYTFMJ-UHFFFAOYSA-N -1 3 376.459 3.811 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)cnc1Br ZINC001446242785 1059734884 /nfs/dbraw/zinc/73/48/84/1059734884.db2.gz UAINOHGAYSAXGU-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM COc1cccc2c(C(=O)Nc3c([O-])cc(Br)cc3Cl)n[nH]c21 ZINC001449114795 1060334544 /nfs/dbraw/zinc/33/45/44/1060334544.db2.gz BFJBLJRNPCRBHZ-UHFFFAOYSA-N -1 3 396.628 3.945 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OC3CCCC3)cc2)c1 ZINC001449320391 1060379969 /nfs/dbraw/zinc/37/99/69/1060379969.db2.gz RQJNFDBNFDVWQD-UHFFFAOYSA-N -1 3 380.444 3.768 20 0 GHADHM O=C(NCc1ccnc(C(F)(F)F)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001449830287 1060469824 /nfs/dbraw/zinc/46/98/24/1060469824.db2.gz GTDBYOXULHJLQP-UHFFFAOYSA-N -1 3 381.741 3.525 20 0 GHADHM Cc1ncc(Br)cc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450016593 1060503377 /nfs/dbraw/zinc/50/33/77/1060503377.db2.gz IDJQKCNPEKTDJL-UHFFFAOYSA-N -1 3 392.640 3.900 20 0 GHADHM COc1cc(C(=O)NC/C=C/c2ccc(Br)cc2)cc(OC)c1[O-] ZINC001450108136 1060532551 /nfs/dbraw/zinc/53/25/51/1060532551.db2.gz JTWDBYRSTCZCAG-ONEGZZNKSA-N -1 3 392.249 3.615 20 0 GHADHM CCn1c(=O)[nH]c2ccc(C(=O)Nc3c([O-])ccc(Br)c3C)cc21 ZINC001450225661 1060555476 /nfs/dbraw/zinc/55/54/76/1060555476.db2.gz JDKJWTVNNSYCKX-UHFFFAOYSA-N -1 3 390.237 3.791 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001450230437 1060558425 /nfs/dbraw/zinc/55/84/25/1060558425.db2.gz XMQLUZQVZOKQFB-GZMMTYOYSA-N -1 3 382.176 3.902 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1sc(N(C)C)nc1Cl ZINC001450230675 1060558770 /nfs/dbraw/zinc/55/87/70/1060558770.db2.gz ZYPYEFMSNSIVEV-UHFFFAOYSA-N -1 3 390.690 3.891 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001450914572 1060716305 /nfs/dbraw/zinc/71/63/05/1060716305.db2.gz AYCSSHSXHJGWHQ-UHFFFAOYSA-N -1 3 391.460 3.551 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001450914572 1060716318 /nfs/dbraw/zinc/71/63/18/1060716318.db2.gz AYCSSHSXHJGWHQ-UHFFFAOYSA-N -1 3 391.460 3.551 20 0 GHADHM CC1(C)[C@@H](CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@@H]1c1ccccc1 ZINC001451112620 1060740678 /nfs/dbraw/zinc/74/06/78/1060740678.db2.gz OPLHYKHARJYYCS-KXBFYZLASA-N -1 3 382.410 3.976 20 0 GHADHM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001452341063 1060925825 /nfs/dbraw/zinc/92/58/25/1060925825.db2.gz GFVFZNWDJNOXFH-UHFFFAOYSA-N -1 3 393.443 3.914 20 0 GHADHM Cc1ccc2[nH]c(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2c1Br ZINC001454409361 1061769492 /nfs/dbraw/zinc/76/94/92/1061769492.db2.gz RSAGWIPFBPKXSU-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc2[nH]c(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2c1Br ZINC001454409361 1061769511 /nfs/dbraw/zinc/76/95/11/1061769511.db2.gz RSAGWIPFBPKXSU-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc3ccc(Br)cc3c2)[n-]1 ZINC001454464464 1061792870 /nfs/dbraw/zinc/79/28/70/1061792870.db2.gz ROXKJAWAFYSXPK-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc3ccc(Br)cc3c2)c[n-]1 ZINC001454464464 1061792889 /nfs/dbraw/zinc/79/28/89/1061792889.db2.gz ROXKJAWAFYSXPK-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c1 ZINC001454932168 1061958580 /nfs/dbraw/zinc/95/85/80/1061958580.db2.gz KLFMLFGWYYBDRA-NRFANRHFSA-N -1 3 388.414 3.866 20 0 GHADHM C[C@@H]1c2ccc(C(=O)Nc3cccc([O-])c3F)n2CCN1C(=O)OC(C)(C)C ZINC001545835871 1062032501 /nfs/dbraw/zinc/03/25/01/1062032501.db2.gz SDCDWUYTHJCPNC-GFCCVEGCSA-N -1 3 389.427 3.897 20 0 GHADHM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2Sc2nccn2C)on1 ZINC001434918965 1062110289 /nfs/dbraw/zinc/11/02/89/1062110289.db2.gz JGZNLZOIVAPJSW-UHFFFAOYSA-N -1 3 378.841 3.864 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC001347754988 1062626607 /nfs/dbraw/zinc/62/66/07/1062626607.db2.gz IHXRGKCRTWBSCW-LRAJWGHMSA-N -1 3 380.444 3.507 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(CNC(=O)OC(C)(C)C)nc3c2)c1 ZINC001456363616 1062636831 /nfs/dbraw/zinc/63/68/31/1062636831.db2.gz TYHYZBQWLPOWPN-UHFFFAOYSA-N -1 3 396.447 3.854 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccc(F)c(Cl)c3)nc21 ZINC001435633668 1062797172 /nfs/dbraw/zinc/79/71/72/1062797172.db2.gz UKBXFGBUXBCKPN-UHFFFAOYSA-N -1 3 391.786 3.550 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 ZINC001456691619 1062815699 /nfs/dbraw/zinc/81/56/99/1062815699.db2.gz YHCATCJBNDQMIJ-INIZCTEOSA-N -1 3 381.350 3.618 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456939293 1062925033 /nfs/dbraw/zinc/92/50/33/1062925033.db2.gz VPEUVUBITCEDIF-NNUKFRKNSA-N -1 3 384.867 3.702 20 0 GHADHM CCc1oc2ccccc2c1CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456946026 1062926937 /nfs/dbraw/zinc/92/69/37/1062926937.db2.gz 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CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(C)c3C(F)(F)F)c2c1=O ZINC001457889655 1063420574 /nfs/dbraw/zinc/42/05/74/1063420574.db2.gz SKDQMTJNSMYXES-UHFFFAOYSA-N -1 3 378.354 3.632 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001457973339 1063475140 /nfs/dbraw/zinc/47/51/40/1063475140.db2.gz QKSMLGDKAWZDMQ-SHTZXODSSA-N -1 3 392.496 3.604 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436648928 1063591993 /nfs/dbraw/zinc/59/19/93/1063591993.db2.gz KPWRXASXAJQPKH-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436648928 1063592008 /nfs/dbraw/zinc/59/20/08/1063592008.db2.gz KPWRXASXAJQPKH-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(Cc4ccccc4Cl)CC3)nc21 ZINC001458174160 1063630401 /nfs/dbraw/zinc/63/04/01/1063630401.db2.gz ZQTSUNORDMBPET-UHFFFAOYSA-N -1 3 383.835 3.964 20 0 GHADHM CCCCc1nc(NC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c(C(=O)OCC)[n-]1 ZINC001458950847 1063966794 /nfs/dbraw/zinc/96/67/94/1063966794.db2.gz CSCRKZGVLPPBCV-YIONKMFJSA-N -1 3 389.496 3.653 20 0 GHADHM CCCCc1nc(NC(=O)c2ccccc2OCC2CC2)c(C(=O)OCC)[n-]1 ZINC001458958200 1063968090 /nfs/dbraw/zinc/96/80/90/1063968090.db2.gz YVVYBANOMKPDGF-UHFFFAOYSA-N -1 3 385.464 3.970 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN(Cc4ccccc4Cl)CC3)cc(=O)oc12 ZINC001459655255 1064155411 /nfs/dbraw/zinc/15/54/11/1064155411.db2.gz PSTQEDUZUJIWLP-UHFFFAOYSA-N -1 3 398.890 3.778 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCc2c(Br)cccc21 ZINC001463401332 1064316535 /nfs/dbraw/zinc/31/65/35/1064316535.db2.gz UYKVJILHXLXCFL-UHFFFAOYSA-N -1 3 383.245 3.884 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c1Cl ZINC001463507904 1064416890 /nfs/dbraw/zinc/41/68/90/1064416890.db2.gz XTIXAWVPBOBXCH-LLVKDONJSA-N -1 3 394.226 3.992 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC001463537439 1064444910 /nfs/dbraw/zinc/44/49/10/1064444910.db2.gz BMGRDRDDKCPLHI-JOWJHRDDSA-N -1 3 386.583 3.973 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001463537066 1064445162 /nfs/dbraw/zinc/44/51/62/1064445162.db2.gz AOEGEQLGXZSZNK-KGLIPLIRSA-N -1 3 385.501 3.886 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@](C)(Cc2ccc(Cl)cc2)C(C)C)s1 ZINC001463763934 1064596332 /nfs/dbraw/zinc/59/63/32/1064596332.db2.gz KCUCERONROHOAR-MRXNPFEDSA-N -1 3 388.942 3.741 20 0 GHADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CC1 ZINC001463885797 1064695346 /nfs/dbraw/zinc/69/53/46/1064695346.db2.gz XEWXIUFTHAUIFV-SGTLLEGYSA-N -1 3 380.535 3.600 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)s1 ZINC001463904842 1064708022 /nfs/dbraw/zinc/70/80/22/1064708022.db2.gz YYMXLYHSWFKDQL-GXTWGEPZSA-N -1 3 399.921 3.803 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1c(Cl)cccc1Cl ZINC001464049501 1064788805 /nfs/dbraw/zinc/78/88/05/1064788805.db2.gz OZBOCSSZRWPLFX-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM CC(C)Oc1ncccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001464230275 1064917967 /nfs/dbraw/zinc/91/79/67/1064917967.db2.gz ATZOKOLTWVOQOK-UHFFFAOYSA-N -1 3 378.454 3.925 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(F)cc3ccoc32)cc1OC ZINC001464339232 1064962131 /nfs/dbraw/zinc/96/21/31/1064962131.db2.gz ZGMRTVBBMGKLGD-UHFFFAOYSA-N -1 3 392.408 3.594 20 0 GHADHM C=C/C=C/CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001464405229 1064991010 /nfs/dbraw/zinc/99/10/10/1064991010.db2.gz SFAIRRYCVKORQP-ONEGZZNKSA-N -1 3 399.335 3.983 20 0 GHADHM [O-]c1cccc(CNc2cc(-c3ccccc3)nn2CCO)c1Br ZINC001200076298 1065142356 /nfs/dbraw/zinc/14/23/56/1065142356.db2.gz FHRZHJRHPDGGJJ-UHFFFAOYSA-N -1 3 388.265 3.623 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC001300073609 1065199376 /nfs/dbraw/zinc/19/93/76/1065199376.db2.gz SZXGTZPEHWKPKO-CVEARBPZSA-N -1 3 392.521 3.680 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccncc1)C1CC1)c1c(F)cccc1OC(F)(F)F ZINC001464772471 1065203641 /nfs/dbraw/zinc/20/36/41/1065203641.db2.gz JLZAHGNEWXTNRM-CQSZACIVSA-N -1 3 390.358 3.549 20 0 GHADHM Cc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(OCc2ccccc2)c1 ZINC001465307693 1065536258 /nfs/dbraw/zinc/53/62/58/1065536258.db2.gz ZZLAUNOEFMWFCY-UHFFFAOYSA-N -1 3 396.472 3.680 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001465343743 1065555708 /nfs/dbraw/zinc/55/57/08/1065555708.db2.gz IOKLXONAVDEAKP-HTAPYJJXSA-N -1 3 382.504 3.535 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)n1 ZINC001353050816 1065590240 /nfs/dbraw/zinc/59/02/40/1065590240.db2.gz QTBCAZJGUKPCIN-QLOAFGCXSA-N -1 3 398.551 3.572 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001300197808 1065647314 /nfs/dbraw/zinc/64/73/14/1065647314.db2.gz GJEICRFUOKECNK-KRWDZBQOSA-N -1 3 383.498 3.621 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1cn(C)nc1C(F)(F)F ZINC000847603605 1065734550 /nfs/dbraw/zinc/73/45/50/1065734550.db2.gz XKGGGYZBYZXEFJ-UHFFFAOYSA-N -1 3 391.340 3.634 20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC001465956629 1065937292 /nfs/dbraw/zinc/93/72/92/1065937292.db2.gz QFDQFIDFYPGZCY-KSSFIOAISA-N -1 3 378.241 3.888 20 0 GHADHM CC(=O)OCCCc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001466329575 1066094819 /nfs/dbraw/zinc/09/48/19/1066094819.db2.gz UFLTZYSBBRTCRV-UHFFFAOYSA-N -1 3 392.249 3.903 20 0 GHADHM COC[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc(F)c(F)c1 ZINC001466522845 1066179032 /nfs/dbraw/zinc/17/90/32/1066179032.db2.gz YQXWHMQAWKVAGP-INIZCTEOSA-N -1 3 392.789 3.577 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001466629193 1066222272 /nfs/dbraw/zinc/22/22/72/1066222272.db2.gz AERPZZNCNGNALR-APPDUMDISA-N -1 3 397.233 3.996 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC001466630927 1066223957 /nfs/dbraw/zinc/22/39/57/1066223957.db2.gz DWHJMEAXRQXAMZ-INIZCTEOSA-N -1 3 376.384 3.597 20 0 GHADHM CCOC(=O)[C@]1([N-]C(=O)C(F)(F)c2cccc(Cl)c2)CCc2ccccc21 ZINC001353785147 1066251406 /nfs/dbraw/zinc/25/14/06/1066251406.db2.gz PSLHJYRTEVUTNS-IBGZPJMESA-N -1 3 393.817 3.953 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1c[nH]c2cccc(F)c21 ZINC001466817660 1066334364 /nfs/dbraw/zinc/33/43/64/1066334364.db2.gz MJOBFFMFOKWXOV-UHFFFAOYSA-N -1 3 396.159 3.870 20 0 GHADHM CCOc1ccc(C[C@H](C)C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC001357296881 1067036228 /nfs/dbraw/zinc/03/62/28/1067036228.db2.gz YNRXDPLPMDTQGT-ZDUSSCGKSA-N -1 3 381.432 3.566 20 0 GHADHM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001467615817 1067386184 /nfs/dbraw/zinc/38/61/84/1067386184.db2.gz ZODSHBQJSVCDQA-LLVKDONJSA-N -1 3 379.254 3.854 20 0 GHADHM O=C(NCCCCn1cc(Br)cn1)c1cc2sccc2c([O-])c1 ZINC001467775166 1067462649 /nfs/dbraw/zinc/46/26/49/1067462649.db2.gz NUDZSMGTFDZJFE-UHFFFAOYSA-N -1 3 394.294 3.776 20 0 GHADHM CN=[S@@](C)(=O)c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001468042063 1067577549 /nfs/dbraw/zinc/57/75/49/1067577549.db2.gz QVJLEBDHHXBPCS-SANMLTNESA-N -1 3 389.864 3.520 20 0 GHADHM CC(C)O[N-]C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001468460639 1067739858 /nfs/dbraw/zinc/73/98/58/1067739858.db2.gz OTLSXUZFXHLZPS-UHFFFAOYSA-N -1 3 391.265 3.700 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCc1ccc(Br)cc1Cl ZINC001468532506 1067762132 /nfs/dbraw/zinc/76/21/32/1067762132.db2.gz OPDNCIBBRLLTQV-UHFFFAOYSA-N -1 3 384.657 3.789 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000849231023 1067770995 /nfs/dbraw/zinc/77/09/95/1067770995.db2.gz RGBMKNWENFODOS-MSOLQXFVSA-N -1 3 395.377 3.789 20 0 GHADHM O=C(CCCSc1ccc(Cl)cc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468753677 1067861751 /nfs/dbraw/zinc/86/17/51/1067861751.db2.gz VAVNDJKJRQSHRM-UHFFFAOYSA-N -1 3 387.896 3.955 20 0 GHADHM O=C(CCCSc1ccc(Cl)cc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468753677 1067861755 /nfs/dbraw/zinc/86/17/55/1067861755.db2.gz VAVNDJKJRQSHRM-UHFFFAOYSA-N -1 3 387.896 3.955 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2ccc(Br)cc2)C1 ZINC001468975921 1067942448 /nfs/dbraw/zinc/94/24/48/1067942448.db2.gz DCYTUTFANSDTID-UHFFFAOYSA-N -1 3 393.256 3.678 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@@H](C2CCC2)C1 ZINC001469002921 1067948853 /nfs/dbraw/zinc/94/88/53/1067948853.db2.gz JOKPEEALVISRDO-GFCCVEGCSA-N -1 3 380.366 3.689 20 0 GHADHM CCc1cccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1[O-] ZINC001469336958 1068111688 /nfs/dbraw/zinc/11/16/88/1068111688.db2.gz FNNFVPLRYXLEFX-ILXRZTDVSA-N -1 3 376.497 3.813 20 0 GHADHM O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716909 1068334155 /nfs/dbraw/zinc/33/41/55/1068334155.db2.gz XYJYSOIXLLEOBR-INIZCTEOSA-N -1 3 397.862 3.977 20 0 GHADHM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000769515209 1068370994 /nfs/dbraw/zinc/37/09/94/1068370994.db2.gz AQSJWSAWKQFXBR-PGRDOPGGSA-N -1 3 394.515 3.662 20 0 GHADHM CSc1cc(Cl)ccc1[N-]C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC001470024026 1068528404 /nfs/dbraw/zinc/52/84/04/1068528404.db2.gz BVVVCCACRUKJPQ-UHFFFAOYSA-N -1 3 391.301 3.766 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@](C)(C(F)F)O1 ZINC001470274720 1068659306 /nfs/dbraw/zinc/65/93/06/1068659306.db2.gz HEUAKHMZXPDADG-SPLOXXLWSA-N -1 3 375.415 3.868 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC001460133510 1068801597 /nfs/dbraw/zinc/80/15/97/1068801597.db2.gz LUOUPQWIRRAJSF-VXGBXAGGSA-N -1 3 394.368 3.539 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC23CCCC3)ccc1F ZINC001460528443 1068989107 /nfs/dbraw/zinc/98/91/07/1068989107.db2.gz REKDJOGEEBEEHU-SFHVURJKSA-N -1 3 396.528 3.745 20 0 GHADHM O=C(Nc1cc(Cl)c(Br)cc1F)c1cc(F)cc2n[n-]nc21 ZINC001470537460 1072615002 /nfs/dbraw/zinc/61/50/02/1072615002.db2.gz SZRXJURPUHYZHW-UHFFFAOYSA-N -1 3 387.571 3.904 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001470796149 1072743476 /nfs/dbraw/zinc/74/34/76/1072743476.db2.gz XGOHKAIJNIKPBC-UHFFFAOYSA-N -1 3 398.220 3.557 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001470796149 1072743484 /nfs/dbraw/zinc/74/34/84/1072743484.db2.gz XGOHKAIJNIKPBC-UHFFFAOYSA-N -1 3 398.220 3.557 20 0 GHADHM O=C(CNC(=O)c1cc([O-])cc(Br)c1)c1cccc(F)c1Cl ZINC001470915420 1072812996 /nfs/dbraw/zinc/81/29/96/1072812996.db2.gz PYSINNQZTNMFQN-UHFFFAOYSA-N -1 3 386.604 3.560 20 0 GHADHM COc1cccc2c1OCCC[C@@H]2NC(=O)c1cc([O-])cc(Br)c1 ZINC001471629625 1073163423 /nfs/dbraw/zinc/16/34/23/1073163423.db2.gz WHAREQBFRRVYDA-HNNXBMFYSA-N -1 3 392.249 3.807 20 0 GHADHM CC(C)(C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1cccc(C(F)(F)F)c1 ZINC001471677507 1073175167 /nfs/dbraw/zinc/17/51/67/1073175167.db2.gz NBZDGXVDZNVJKC-UHFFFAOYSA-N -1 3 391.393 3.898 20 0 GHADHM O=C(c1cc(Br)ccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471678026 1073175349 /nfs/dbraw/zinc/17/53/49/1073175349.db2.gz SQDFJYVUFXTKCH-UHFFFAOYSA-N -1 3 394.656 3.632 20 0 GHADHM Cc1ccc(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC001471763483 1073213385 /nfs/dbraw/zinc/21/33/85/1073213385.db2.gz WTCDHUDMMAHCQL-IHPCNDPISA-N -1 3 379.456 3.827 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3CCC=CCC3)cs2)c1 ZINC001471921722 1073261316 /nfs/dbraw/zinc/26/13/16/1073261316.db2.gz HWKKDEUDNBOEDR-UHFFFAOYSA-N -1 3 385.489 3.567 20 0 GHADHM O=C(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001472228380 1073376549 /nfs/dbraw/zinc/37/65/49/1073376549.db2.gz UYMBBEOWXZEBHC-QAPCUYQASA-N -1 3 379.378 3.680 20 0 GHADHM CC(C)c1cccc(OCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001472240621 1073380668 /nfs/dbraw/zinc/38/06/68/1073380668.db2.gz FMSZKQGAEBJGIU-UHFFFAOYSA-N -1 3 393.443 3.908 20 0 GHADHM CC(C)c1cccc(OCC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001472240621 1073380676 /nfs/dbraw/zinc/38/06/76/1073380676.db2.gz FMSZKQGAEBJGIU-UHFFFAOYSA-N -1 3 393.443 3.908 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)C1(Cc2ccccc2F)CC1 ZINC001472241579 1073380836 /nfs/dbraw/zinc/38/08/36/1073380836.db2.gz ROKUOMYHZFFOIU-UHFFFAOYSA-N -1 3 393.418 3.867 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)C1(Cc2ccccc2F)CC1 ZINC001472241579 1073380840 /nfs/dbraw/zinc/38/08/40/1073380840.db2.gz ROKUOMYHZFFOIU-UHFFFAOYSA-N -1 3 393.418 3.867 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc(C4OCCO4)cc3)n[n-]2)cc1 ZINC001472357052 1073443059 /nfs/dbraw/zinc/44/30/59/1073443059.db2.gz BWLJWCVLLVTVON-UHFFFAOYSA-N -1 3 396.472 3.703 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c(OC)c1 ZINC001472366394 1073446938 /nfs/dbraw/zinc/44/69/38/1073446938.db2.gz ZIYLEZBVOKXAKY-LLVKDONJSA-N -1 3 386.835 3.690 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccn(Cc3ccccc3)n2)c([O-])c1 ZINC001472560276 1073551435 /nfs/dbraw/zinc/55/14/35/1073551435.db2.gz ZDMLUAJWDSJCJA-UHFFFAOYSA-N -1 3 379.460 3.746 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3nnc(C=Cc4ccco4)s3)c(=O)c2c1 ZINC001472604708 1073571060 /nfs/dbraw/zinc/57/10/60/1073571060.db2.gz GKQSBJCIPOWMJS-FNORWQNLSA-N -1 3 378.413 3.704 20 0 GHADHM Cc1cc([N-]c2nc(N)nc(C(F)(F)C(F)(F)F)n2)nn1C1CCCCC1 ZINC001472798610 1073670774 /nfs/dbraw/zinc/67/07/74/1073670774.db2.gz QLWMARXPECYYDT-UHFFFAOYSA-N -1 3 391.348 3.862 20 0 GHADHM Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001546225369 1079191242 /nfs/dbraw/zinc/19/12/42/1079191242.db2.gz JXHBYHVKUSTWHO-HNNXBMFYSA-N -1 3 397.475 3.730 20 0 GHADHM O=C([N-][C@H]1CN(CCCCCF)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001473624867 1074055114 /nfs/dbraw/zinc/05/51/14/1074055114.db2.gz BNYNBKYFBDQIIJ-HOTGVXAUSA-N -1 3 378.385 3.802 20 0 GHADHM Cc1nsc(C)c1CN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001473727692 1074111879 /nfs/dbraw/zinc/11/18/79/1074111879.db2.gz MISMOEIUANPHNF-CYBMUJFWSA-N -1 3 383.439 3.932 20 0 GHADHM [O-]c1cc(Br)cnc1CN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001474717795 1074532089 /nfs/dbraw/zinc/53/20/89/1074532089.db2.gz SLWOAVZUZLHRQW-MSOLQXFVSA-N -1 3 391.309 3.508 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)cc1F ZINC001474878482 1074608134 /nfs/dbraw/zinc/60/81/34/1074608134.db2.gz RNZOCZAXTRVOSN-UHFFFAOYSA-N -1 3 379.350 3.813 20 0 GHADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)cs1 ZINC001474918641 1074631582 /nfs/dbraw/zinc/63/15/82/1074631582.db2.gz IYUQGEYXOHXZNP-UHFFFAOYSA-N -1 3 393.559 3.911 20 0 GHADHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC001474992267 1074672866 /nfs/dbraw/zinc/67/28/66/1074672866.db2.gz ZVHRMYWUVYFRIT-UHFFFAOYSA-N -1 3 386.286 3.726 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)c2ccccc21 ZINC001475082789 1074730065 /nfs/dbraw/zinc/73/00/65/1074730065.db2.gz VEYLREAAMZCZIZ-LBPRGKRZSA-N -1 3 399.285 3.684 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)s1 ZINC001475241894 1074801839 /nfs/dbraw/zinc/80/18/39/1074801839.db2.gz ZJIVKEZJZAYSPU-JKSUJKDBSA-N -1 3 387.482 3.522 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC001475300214 1074826904 /nfs/dbraw/zinc/82/69/04/1074826904.db2.gz AYTAZZJXPAONBN-HZPDHXFCSA-N -1 3 393.530 3.787 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccc(Cl)c2)CC1)c1cccnc1C(F)(F)F ZINC001475302666 1074828710 /nfs/dbraw/zinc/82/87/10/1074828710.db2.gz XWANTWPRMKAVOH-UHFFFAOYSA-N -1 3 390.814 3.807 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001475391648 1074858756 /nfs/dbraw/zinc/85/87/56/1074858756.db2.gz NEIPTKUBYGKNGD-HUUCEWRRSA-N -1 3 385.501 3.806 20 0 GHADHM O=S(=O)([N-]CCCSc1ccccn1)c1c(Cl)cccc1Cl ZINC001475449505 1074878867 /nfs/dbraw/zinc/87/88/67/1074878867.db2.gz CCPJBFIKNBPRJW-UHFFFAOYSA-N -1 3 377.318 3.849 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Cl)c1)c1cc(Cl)ccc1C(F)(F)F ZINC001475493706 1074894631 /nfs/dbraw/zinc/89/46/31/1074894631.db2.gz UUJZZZMLYVDTBP-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)cc1F ZINC001475500014 1074897404 /nfs/dbraw/zinc/89/74/04/1074897404.db2.gz IFYWLJHTPGTZTB-QGZVFWFLSA-N -1 3 385.407 3.573 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC001475533394 1074906897 /nfs/dbraw/zinc/90/68/97/1074906897.db2.gz XYHMHIHGBDWWFU-CQSZACIVSA-N -1 3 383.407 3.718 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C1CCCCC1 ZINC001475534075 1074907244 /nfs/dbraw/zinc/90/72/44/1074907244.db2.gz FNVWZPROYNAWAO-INIZCTEOSA-N -1 3 380.535 3.684 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2cccc(F)c2F)c(-c2ccccc2)s1 ZINC001475544812 1074909704 /nfs/dbraw/zinc/90/97/04/1074909704.db2.gz HXFNNPOWVPNVDG-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C2CC2)cn1 ZINC001475553514 1074912486 /nfs/dbraw/zinc/91/24/86/1074912486.db2.gz CHYFKDBFRWGBIT-ZDUSSCGKSA-N -1 3 393.317 3.888 20 0 GHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC001475558387 1074914168 /nfs/dbraw/zinc/91/41/68/1074914168.db2.gz LPJKHUDNGQMTCW-CYBMUJFWSA-N -1 3 394.320 3.641 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1F ZINC001475579621 1074919168 /nfs/dbraw/zinc/91/91/68/1074919168.db2.gz OTMWXYMMKQFYPF-AWEZNQCLSA-N -1 3 396.242 3.674 20 0 GHADHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)o1 ZINC001475586840 1074921143 /nfs/dbraw/zinc/92/11/43/1074921143.db2.gz IATKMHZHHSJGJT-UHFFFAOYSA-N -1 3 381.881 3.838 20 0 GHADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)OC1 ZINC001475625749 1074929820 /nfs/dbraw/zinc/92/98/20/1074929820.db2.gz KEZCNCDJYQQGJN-JTQLQIEISA-N -1 3 396.734 3.586 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C(C)(C)O1 ZINC001475719419 1075008042 /nfs/dbraw/zinc/00/80/42/1075008042.db2.gz HVHYZJMKUKNFPQ-JTQLQIEISA-N -1 3 388.942 3.822 20 0 GHADHM COC1(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)CCCCCC1 ZINC001475764889 1075016580 /nfs/dbraw/zinc/01/65/80/1075016580.db2.gz NINSSMJYNBSNLF-UHFFFAOYSA-N -1 3 378.494 3.500 20 0 GHADHM COc1cccc2c1CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC001475781218 1075020622 /nfs/dbraw/zinc/02/06/22/1075020622.db2.gz ZZCVHMRZAJETJA-CQSZACIVSA-N -1 3 383.872 3.714 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000057200301 205154857 /nfs/dbraw/zinc/15/48/57/205154857.db2.gz BUIQAKQSJPJGRT-OAHLLOKOSA-N -1 3 388.489 3.515 20 0 GHADHM CC[C@@](C)(NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736315302 598827362 /nfs/dbraw/zinc/82/73/62/598827362.db2.gz IGMOXKNQKYKWMR-OAHLLOKOSA-N -1 3 393.929 3.588 20 0 GHADHM CC[C@@](C)(NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736315302 598827364 /nfs/dbraw/zinc/82/73/64/598827364.db2.gz IGMOXKNQKYKWMR-OAHLLOKOSA-N -1 3 393.929 3.588 20 0 GHADHM CSCCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737182694 598831203 /nfs/dbraw/zinc/83/12/03/598831203.db2.gz RGFWOAXRPBEXQA-UHFFFAOYSA-N -1 3 384.465 3.526 20 0 GHADHM CSCCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737182694 598831205 /nfs/dbraw/zinc/83/12/05/598831205.db2.gz RGFWOAXRPBEXQA-UHFFFAOYSA-N -1 3 384.465 3.526 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736399265 598837316 /nfs/dbraw/zinc/83/73/16/598837316.db2.gz GENJYXMWOLAEGO-INIZCTEOSA-N -1 3 395.463 3.834 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335724 598838911 /nfs/dbraw/zinc/83/89/11/598838911.db2.gz VVLAHFMRTJBZFQ-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335724 598838913 /nfs/dbraw/zinc/83/89/13/598838913.db2.gz VVLAHFMRTJBZFQ-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000738179284 598839584 /nfs/dbraw/zinc/83/95/84/598839584.db2.gz PSNJPRYBVZERMD-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000738179284 598839586 /nfs/dbraw/zinc/83/95/86/598839586.db2.gz PSNJPRYBVZERMD-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)/C=C\C2CCCCC2)c1C ZINC000737503555 598840329 /nfs/dbraw/zinc/84/03/29/598840329.db2.gz NVTYRBMGNVITIV-JYRVWZFOSA-N -1 3 391.479 3.744 20 0 GHADHM CC(C)OCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735904426 598844507 /nfs/dbraw/zinc/84/45/07/598844507.db2.gz PGVMIXNUSDZVTR-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM CC(C)OCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735904426 598844509 /nfs/dbraw/zinc/84/45/09/598844509.db2.gz PGVMIXNUSDZVTR-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000737291475 598851429 /nfs/dbraw/zinc/85/14/29/598851429.db2.gz MKPKTZKWGIVZQJ-NRFANRHFSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000737291475 598851431 /nfs/dbraw/zinc/85/14/31/598851431.db2.gz MKPKTZKWGIVZQJ-NRFANRHFSA-N -1 3 376.464 3.761 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(Cl)sc1Cl ZINC000736039337 598888136 /nfs/dbraw/zinc/88/81/36/598888136.db2.gz ISEVPTWARMAEBZ-QMMMGPOBSA-N -1 3 399.259 3.859 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(Cl)sc1Cl ZINC000736039337 598888138 /nfs/dbraw/zinc/88/81/38/598888138.db2.gz ISEVPTWARMAEBZ-QMMMGPOBSA-N -1 3 399.259 3.859 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736396391 598903152 /nfs/dbraw/zinc/90/31/52/598903152.db2.gz MLOGQWUDUMWDNO-MRXNPFEDSA-N -1 3 385.859 3.920 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736396391 598903153 /nfs/dbraw/zinc/90/31/53/598903153.db2.gz MLOGQWUDUMWDNO-MRXNPFEDSA-N -1 3 385.859 3.920 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000738191385 598904148 /nfs/dbraw/zinc/90/41/48/598904148.db2.gz IORHUFUAKZABHX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000738191385 598904149 /nfs/dbraw/zinc/90/41/49/598904149.db2.gz IORHUFUAKZABHX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000737291702 598905507 /nfs/dbraw/zinc/90/55/07/598905507.db2.gz NIDRXDUKDIDXCT-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000737291702 598905509 /nfs/dbraw/zinc/90/55/09/598905509.db2.gz NIDRXDUKDIDXCT-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736326754 598927572 /nfs/dbraw/zinc/92/75/72/598927572.db2.gz CRVZJRSXYSACNJ-CABCVRRESA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736326754 598927574 /nfs/dbraw/zinc/92/75/74/598927574.db2.gz CRVZJRSXYSACNJ-CABCVRRESA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736400720 598932789 /nfs/dbraw/zinc/93/27/89/598932789.db2.gz BGLMTSWLSQFFLA-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736400720 598932791 /nfs/dbraw/zinc/93/27/91/598932791.db2.gz BGLMTSWLSQFFLA-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737575374 598938119 /nfs/dbraw/zinc/93/81/19/598938119.db2.gz SESUUYZUPMEJSZ-ZDUSSCGKSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737575374 598938120 /nfs/dbraw/zinc/93/81/20/598938120.db2.gz SESUUYZUPMEJSZ-ZDUSSCGKSA-N -1 3 391.262 3.616 20 0 GHADHM CO[C@H](C)CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736961830 598943865 /nfs/dbraw/zinc/94/38/65/598943865.db2.gz MUNMEOGZOHTKMY-OAHLLOKOSA-N -1 3 395.463 3.545 20 0 GHADHM CO[C@H](C)CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736961830 598943867 /nfs/dbraw/zinc/94/38/67/598943867.db2.gz MUNMEOGZOHTKMY-OAHLLOKOSA-N -1 3 395.463 3.545 20 0 GHADHM CCc1noc([C@@H](C)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736714349 598961510 /nfs/dbraw/zinc/96/15/10/598961510.db2.gz XMKLNYQILPWMHR-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736232435 599008454 /nfs/dbraw/zinc/00/84/54/599008454.db2.gz DFVCULOOSFOKDP-KXBFYZLASA-N -1 3 393.516 3.505 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736232435 599008456 /nfs/dbraw/zinc/00/84/56/599008456.db2.gz DFVCULOOSFOKDP-KXBFYZLASA-N -1 3 393.516 3.505 20 0 GHADHM CC[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000736382687 599027740 /nfs/dbraw/zinc/02/77/40/599027740.db2.gz NMNVGDNTBKDQBR-SFHVURJKSA-N -1 3 398.488 3.803 20 0 GHADHM CC[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736382687 599027742 /nfs/dbraw/zinc/02/77/42/599027742.db2.gz NMNVGDNTBKDQBR-SFHVURJKSA-N -1 3 398.488 3.803 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000133184352 599033953 /nfs/dbraw/zinc/03/39/53/599033953.db2.gz BNQXROBTULEZCV-UHFFFAOYSA-N -1 3 379.489 3.855 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000133184352 599033955 /nfs/dbraw/zinc/03/39/55/599033955.db2.gz BNQXROBTULEZCV-UHFFFAOYSA-N -1 3 379.489 3.855 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccncc1F ZINC000737280850 599035662 /nfs/dbraw/zinc/03/56/62/599035662.db2.gz UHEYFIBWYYDEAQ-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(N2CCCC2)ccc1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737270708 599040008 /nfs/dbraw/zinc/04/00/08/599040008.db2.gz GQILWLDEUBHIFV-UHFFFAOYSA-N -1 3 389.385 3.933 20 0 GHADHM Cc1cc(N2CCCC2)ccc1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737270708 599040011 /nfs/dbraw/zinc/04/00/11/599040011.db2.gz GQILWLDEUBHIFV-UHFFFAOYSA-N -1 3 389.385 3.933 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000737633434 599041667 /nfs/dbraw/zinc/04/16/67/599041667.db2.gz RDKPCPOGCREFFT-YUMQZZPRSA-N -1 3 380.296 3.814 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000737633434 599041670 /nfs/dbraw/zinc/04/16/70/599041670.db2.gz RDKPCPOGCREFFT-YUMQZZPRSA-N -1 3 380.296 3.814 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCCO2 ZINC000737664175 599047384 /nfs/dbraw/zinc/04/73/84/599047384.db2.gz CXLUPPOTQREFJW-GFCCVEGCSA-N -1 3 394.332 3.745 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCCO2 ZINC000737664175 599047387 /nfs/dbraw/zinc/04/73/87/599047387.db2.gz CXLUPPOTQREFJW-GFCCVEGCSA-N -1 3 394.332 3.745 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819940223 599052388 /nfs/dbraw/zinc/05/23/88/599052388.db2.gz SUDOEKYKKFKFOR-DZGCQCFKSA-N -1 3 390.463 3.501 20 0 GHADHM c1ccc2c(c1)nc(N1CCC(OCC3CCCCC3)CC1)cc2-c1nnn[n-]1 ZINC000823791277 599059281 /nfs/dbraw/zinc/05/92/81/599059281.db2.gz AJNFKQLKMKUYKL-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM c1ccc2c(c1)nc(N1CCC(OCC3CCCCC3)CC1)cc2-c1nn[n-]n1 ZINC000823791277 599059283 /nfs/dbraw/zinc/05/92/83/599059283.db2.gz AJNFKQLKMKUYKL-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736648260 599063546 /nfs/dbraw/zinc/06/35/46/599063546.db2.gz YJTMUMMEZWVDNJ-NSHDSACASA-N -1 3 387.440 3.524 20 0 GHADHM CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736648260 599063548 /nfs/dbraw/zinc/06/35/48/599063548.db2.gz YJTMUMMEZWVDNJ-NSHDSACASA-N -1 3 387.440 3.524 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738163314 599070006 /nfs/dbraw/zinc/07/00/06/599070006.db2.gz LQAKTHBQSQRVOE-JQWIXIFHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738163314 599070008 /nfs/dbraw/zinc/07/00/08/599070008.db2.gz LQAKTHBQSQRVOE-JQWIXIFHSA-N -1 3 375.766 3.541 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000821347560 599072349 /nfs/dbraw/zinc/07/23/49/599072349.db2.gz YBXRDTCZEJQGTH-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000821347560 599072351 /nfs/dbraw/zinc/07/23/51/599072351.db2.gz YBXRDTCZEJQGTH-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328186 599082371 /nfs/dbraw/zinc/08/23/71/599082371.db2.gz DUYQMUGLUUHUNP-INIZCTEOSA-N -1 3 383.477 3.614 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328186 599082374 /nfs/dbraw/zinc/08/23/74/599082374.db2.gz DUYQMUGLUUHUNP-INIZCTEOSA-N -1 3 383.477 3.614 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736558646 599096294 /nfs/dbraw/zinc/09/62/94/599096294.db2.gz OQPGATOGBYCXDT-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736558646 599096297 /nfs/dbraw/zinc/09/62/97/599096297.db2.gz OQPGATOGBYCXDT-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccc(C)cc2)o1 ZINC000821393790 599123069 /nfs/dbraw/zinc/12/30/69/599123069.db2.gz AXXNBGSEECLQRN-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccc(C)cc2)o1 ZINC000821393790 599123072 /nfs/dbraw/zinc/12/30/72/599123072.db2.gz AXXNBGSEECLQRN-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM COC(=O)[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(Cl)cc1Cl ZINC000821650159 599125246 /nfs/dbraw/zinc/12/52/46/599125246.db2.gz LOJNLEJVYHYTNQ-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(Cl)cc1Cl ZINC000821650159 599125247 /nfs/dbraw/zinc/12/52/47/599125247.db2.gz LOJNLEJVYHYTNQ-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321828 599136125 /nfs/dbraw/zinc/13/61/25/599136125.db2.gz MWYUBGBJMLTOPP-BZYZDCJZSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321828 599136127 /nfs/dbraw/zinc/13/61/27/599136127.db2.gz MWYUBGBJMLTOPP-BZYZDCJZSA-N -1 3 382.493 3.511 20 0 GHADHM Cc1cncc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)c1 ZINC000822400015 599145390 /nfs/dbraw/zinc/14/53/90/599145390.db2.gz STANBXQPHALLKE-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764529 599146374 /nfs/dbraw/zinc/14/63/74/599146374.db2.gz IERQHTFHYPEXNP-XFXZXTDPSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764529 599146377 /nfs/dbraw/zinc/14/63/77/599146377.db2.gz IERQHTFHYPEXNP-XFXZXTDPSA-N -1 3 387.365 3.952 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ncc(-c3ccccc3F)o2)n1 ZINC000737241521 599157778 /nfs/dbraw/zinc/15/77/78/599157778.db2.gz ROGXQXNZBXYRMJ-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ncc(-c3ccccc3F)o2)n1 ZINC000737241521 599157781 /nfs/dbraw/zinc/15/77/81/599157781.db2.gz ROGXQXNZBXYRMJ-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Clc1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737573895 599160134 /nfs/dbraw/zinc/16/01/34/599160134.db2.gz GCPOIJDMTPLEFX-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737573895 599160136 /nfs/dbraw/zinc/16/01/36/599160136.db2.gz GCPOIJDMTPLEFX-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000736481203 599160749 /nfs/dbraw/zinc/16/07/49/599160749.db2.gz WVZPLBDECSSMAF-JKSUJKDBSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000736481203 599160750 /nfs/dbraw/zinc/16/07/50/599160750.db2.gz WVZPLBDECSSMAF-JKSUJKDBSA-N -1 3 397.429 3.687 20 0 GHADHM c1cnc2c(c1)cccc2SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738445673 599163407 /nfs/dbraw/zinc/16/34/07/599163407.db2.gz MBNLPGLLKLEHSC-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1cnc2c(c1)cccc2SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738445673 599163408 /nfs/dbraw/zinc/16/34/08/599163408.db2.gz MBNLPGLLKLEHSC-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736354689 599166541 /nfs/dbraw/zinc/16/65/41/599166541.db2.gz WHLZLCFARLSTRC-GOSISDBHSA-N -1 3 383.883 3.590 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736354689 599166543 /nfs/dbraw/zinc/16/65/43/599166543.db2.gz WHLZLCFARLSTRC-GOSISDBHSA-N -1 3 383.883 3.590 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820881907 599168200 /nfs/dbraw/zinc/16/82/00/599168200.db2.gz FKLHMLLBVOWJRG-MARXPDLDSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820881907 599168204 /nfs/dbraw/zinc/16/82/04/599168204.db2.gz FKLHMLLBVOWJRG-MARXPDLDSA-N -1 3 395.438 3.513 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736190014 599168542 /nfs/dbraw/zinc/16/85/42/599168542.db2.gz DRCAGWGRXDYJGK-STQMWFEESA-N -1 3 397.479 3.854 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736190014 599168547 /nfs/dbraw/zinc/16/85/47/599168547.db2.gz DRCAGWGRXDYJGK-STQMWFEESA-N -1 3 397.479 3.854 20 0 GHADHM c1ccc(CCCSCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000738427545 599168705 /nfs/dbraw/zinc/16/87/05/599168705.db2.gz IWKGEZUUPWZMIR-UHFFFAOYSA-N -1 3 378.461 3.783 20 0 GHADHM c1ccc(CCCSCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000738427545 599168706 /nfs/dbraw/zinc/16/87/06/599168706.db2.gz IWKGEZUUPWZMIR-UHFFFAOYSA-N -1 3 378.461 3.783 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822021055 599168832 /nfs/dbraw/zinc/16/88/32/599168832.db2.gz UBBNBPFKEWPKAV-UHFFFAOYSA-N -1 3 385.786 3.644 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822021055 599168834 /nfs/dbraw/zinc/16/88/34/599168834.db2.gz UBBNBPFKEWPKAV-UHFFFAOYSA-N -1 3 385.786 3.644 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccc(F)cc2)CCCCC1 ZINC000823232931 599170059 /nfs/dbraw/zinc/17/00/59/599170059.db2.gz AWRREOSBQCGWAU-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccc(F)cc2)CCCCC1 ZINC000823232931 599170062 /nfs/dbraw/zinc/17/00/62/599170062.db2.gz AWRREOSBQCGWAU-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)NCCCC1CCCCC1 ZINC000737948295 599171981 /nfs/dbraw/zinc/17/19/81/599171981.db2.gz SMAQYVRVDDIZKH-UHFFFAOYSA-N -1 3 377.489 3.575 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)NCCCC1CCCCC1 ZINC000737948295 599171984 /nfs/dbraw/zinc/17/19/84/599171984.db2.gz SMAQYVRVDDIZKH-UHFFFAOYSA-N -1 3 377.489 3.575 20 0 GHADHM CC(C)c1ccc(CCCNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735922071 599191534 /nfs/dbraw/zinc/19/15/34/599191534.db2.gz BJOSNEUXBQUDSK-UHFFFAOYSA-N -1 3 380.521 3.909 20 0 GHADHM CC(C)c1ccc(CCCNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735922071 599191536 /nfs/dbraw/zinc/19/15/36/599191536.db2.gz BJOSNEUXBQUDSK-UHFFFAOYSA-N -1 3 380.521 3.909 20 0 GHADHM CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000821570968 599192343 /nfs/dbraw/zinc/19/23/43/599192343.db2.gz UACIQFHETHTZKQ-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000821570968 599192345 /nfs/dbraw/zinc/19/23/45/599192345.db2.gz UACIQFHETHTZKQ-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000822927789 599200482 /nfs/dbraw/zinc/20/04/82/599200482.db2.gz AJMYRWDZBDIJCX-SIFUEBAJSA-N -1 3 391.500 3.521 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000822927789 599200483 /nfs/dbraw/zinc/20/04/83/599200483.db2.gz AJMYRWDZBDIJCX-SIFUEBAJSA-N -1 3 391.500 3.521 20 0 GHADHM CCC(CC)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887579 599200861 /nfs/dbraw/zinc/20/08/61/599200861.db2.gz HMDMTPVYZIGSHO-UHFFFAOYSA-N -1 3 377.492 3.674 20 0 GHADHM CCC(CC)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887579 599200862 /nfs/dbraw/zinc/20/08/62/599200862.db2.gz HMDMTPVYZIGSHO-UHFFFAOYSA-N -1 3 377.492 3.674 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232744 599221767 /nfs/dbraw/zinc/22/17/67/599221767.db2.gz ABEHBKDXOCAXHR-KDOFPFPSSA-N -1 3 379.464 3.701 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232744 599221769 /nfs/dbraw/zinc/22/17/69/599221769.db2.gz ABEHBKDXOCAXHR-KDOFPFPSSA-N -1 3 379.464 3.701 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000822232133 599221781 /nfs/dbraw/zinc/22/17/81/599221781.db2.gz UWXAYCNSVGVLBW-UNEWFSDZSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000822232133 599221783 /nfs/dbraw/zinc/22/17/83/599221783.db2.gz UWXAYCNSVGVLBW-UNEWFSDZSA-N -1 3 395.463 3.535 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000737944210 599225226 /nfs/dbraw/zinc/22/52/26/599225226.db2.gz XOBHCYSRAQZWNY-GOSISDBHSA-N -1 3 379.489 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000737944210 599225229 /nfs/dbraw/zinc/22/52/29/599225229.db2.gz XOBHCYSRAQZWNY-GOSISDBHSA-N -1 3 379.489 3.616 20 0 GHADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738211307 599232219 /nfs/dbraw/zinc/23/22/19/599232219.db2.gz MTUVSUVNSSHFMV-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738211307 599232224 /nfs/dbraw/zinc/23/22/24/599232224.db2.gz MTUVSUVNSSHFMV-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM CS[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000737181484 599234648 /nfs/dbraw/zinc/23/46/48/599234648.db2.gz VYMSLYPLNROEQZ-WDEREUQCSA-N -1 3 376.436 3.779 20 0 GHADHM CS[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000737181484 599234650 /nfs/dbraw/zinc/23/46/50/599234650.db2.gz VYMSLYPLNROEQZ-WDEREUQCSA-N -1 3 376.436 3.779 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403448 599237964 /nfs/dbraw/zinc/23/79/64/599237964.db2.gz KGDRLOBUFGETMH-VIFPVBQESA-N -1 3 376.848 3.707 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403448 599237966 /nfs/dbraw/zinc/23/79/66/599237966.db2.gz KGDRLOBUFGETMH-VIFPVBQESA-N -1 3 376.848 3.707 20 0 GHADHM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736957546 599243935 /nfs/dbraw/zinc/24/39/35/599243935.db2.gz IJCNGOJZEIZCBP-CQSZACIVSA-N -1 3 394.479 3.544 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820903761 607276499 /nfs/dbraw/zinc/27/64/99/607276499.db2.gz XKNSOEUYVUAJTQ-UHFFFAOYSA-N -1 3 381.484 3.727 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820903761 607276500 /nfs/dbraw/zinc/27/65/00/607276500.db2.gz XKNSOEUYVUAJTQ-UHFFFAOYSA-N -1 3 381.484 3.727 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823308824 599244896 /nfs/dbraw/zinc/24/48/96/599244896.db2.gz KICCRVSTSASDOD-CQSZACIVSA-N -1 3 380.477 3.513 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823308824 599244897 /nfs/dbraw/zinc/24/48/97/599244897.db2.gz KICCRVSTSASDOD-CQSZACIVSA-N -1 3 380.477 3.513 20 0 GHADHM C[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000736194293 599245056 /nfs/dbraw/zinc/24/50/56/599245056.db2.gz ZHSXKSVBYYBTKT-SECBINFHSA-N -1 3 385.840 3.818 20 0 GHADHM C[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000736194293 599245058 /nfs/dbraw/zinc/24/50/58/599245058.db2.gz ZHSXKSVBYYBTKT-SECBINFHSA-N -1 3 385.840 3.818 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737807854 599247350 /nfs/dbraw/zinc/24/73/50/599247350.db2.gz RDIDGMKAXNFFJQ-YVMONPNESA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737807854 599247352 /nfs/dbraw/zinc/24/73/52/599247352.db2.gz RDIDGMKAXNFFJQ-YVMONPNESA-N -1 3 376.807 3.720 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000737188573 599247580 /nfs/dbraw/zinc/24/75/80/599247580.db2.gz CBUATISJRCABKU-MRVWCRGKSA-N -1 3 398.536 3.560 20 0 GHADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501503 599247974 /nfs/dbraw/zinc/24/79/74/599247974.db2.gz CTYLMDJWDFBCFV-QAPCUYQASA-N -1 3 391.475 3.733 20 0 GHADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501503 599247977 /nfs/dbraw/zinc/24/79/77/599247977.db2.gz CTYLMDJWDFBCFV-QAPCUYQASA-N -1 3 391.475 3.733 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccccc1SC(F)F ZINC000823238068 599250698 /nfs/dbraw/zinc/25/06/98/599250698.db2.gz IDLXHQGZAVMDDC-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccccc1SC(F)F ZINC000823238068 599250701 /nfs/dbraw/zinc/25/07/01/599250701.db2.gz IDLXHQGZAVMDDC-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339243 599256659 /nfs/dbraw/zinc/25/66/59/599256659.db2.gz AJQXDEKAFUJIEU-TWOQFEAHSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339243 599256660 /nfs/dbraw/zinc/25/66/60/599256660.db2.gz AJQXDEKAFUJIEU-TWOQFEAHSA-N -1 3 390.491 3.763 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820898295 607308727 /nfs/dbraw/zinc/30/87/27/607308727.db2.gz YONKZJVNVLSSOV-CQSZACIVSA-N -1 3 381.484 3.648 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820898295 607308728 /nfs/dbraw/zinc/30/87/28/607308728.db2.gz YONKZJVNVLSSOV-CQSZACIVSA-N -1 3 381.484 3.648 20 0 GHADHM CCc1ccccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000821491942 607310600 /nfs/dbraw/zinc/31/06/00/607310600.db2.gz DJICSBSJHYOUMN-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM CCc1ccccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000821491942 607310601 /nfs/dbraw/zinc/31/06/01/607310601.db2.gz DJICSBSJHYOUMN-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM Clc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1N1CCSCC1 ZINC000822568293 607315266 /nfs/dbraw/zinc/31/52/66/607315266.db2.gz PAEZZYISKJCTLS-UHFFFAOYSA-N -1 3 386.912 3.685 20 0 GHADHM Clc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1N1CCSCC1 ZINC000822568293 607315267 /nfs/dbraw/zinc/31/52/67/607315267.db2.gz PAEZZYISKJCTLS-UHFFFAOYSA-N -1 3 386.912 3.685 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n(C(C)C)c1C ZINC000736488960 599278264 /nfs/dbraw/zinc/27/82/64/599278264.db2.gz WBHHGUKLSABIEO-UHFFFAOYSA-N -1 3 381.484 3.940 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000822208172 599284896 /nfs/dbraw/zinc/28/48/96/599284896.db2.gz DZEZYPWQEYGODT-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000822208172 599284898 /nfs/dbraw/zinc/28/48/98/599284898.db2.gz DZEZYPWQEYGODT-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820949584 599288958 /nfs/dbraw/zinc/28/89/58/599288958.db2.gz CTSDFHYAKSNJQA-UHFFFAOYSA-N -1 3 382.390 3.930 20 0 GHADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820949584 599288959 /nfs/dbraw/zinc/28/89/59/599288959.db2.gz CTSDFHYAKSNJQA-UHFFFAOYSA-N -1 3 382.390 3.930 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820698950 599289277 /nfs/dbraw/zinc/28/92/77/599289277.db2.gz WUUSOTJFCLCNOZ-ZYHUDNBSSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820698950 599289279 /nfs/dbraw/zinc/28/92/79/599289279.db2.gz WUUSOTJFCLCNOZ-ZYHUDNBSSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H](C1CC1)N(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820219641 599291308 /nfs/dbraw/zinc/29/13/08/599291308.db2.gz HMXBNHKVACARIQ-VIFPVBQESA-N -1 3 380.374 3.680 20 0 GHADHM C[C@@H](C1CC1)N(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820219641 599291310 /nfs/dbraw/zinc/29/13/10/599291310.db2.gz HMXBNHKVACARIQ-VIFPVBQESA-N -1 3 380.374 3.680 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822477497 607329035 /nfs/dbraw/zinc/32/90/35/607329035.db2.gz LYSNEVFNPPFHEU-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM COc1ccc(NC(=O)[C@@H](NC2CCC(C(=O)[O-])CC2)c2ccccc2)cc1 ZINC000820841025 598135861 /nfs/dbraw/zinc/13/58/61/598135861.db2.gz FDHBYPWXEYDDCC-UHYCVJNDSA-N -1 3 382.460 3.608 20 0 GHADHM Cc1ccc(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000737329768 598232240 /nfs/dbraw/zinc/23/22/40/598232240.db2.gz NMBNWCODNSRRPT-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1ccc(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737329768 598232242 /nfs/dbraw/zinc/23/22/42/598232242.db2.gz NMBNWCODNSRRPT-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM O=C(CCc1cscn1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737860304 598232257 /nfs/dbraw/zinc/23/22/57/598232257.db2.gz GPHWJXKZAIJFJW-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(CCc1cscn1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737860304 598232259 /nfs/dbraw/zinc/23/22/59/598232259.db2.gz GPHWJXKZAIJFJW-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc(C2CC2)on1 ZINC000738184263 598232739 /nfs/dbraw/zinc/23/27/39/598232739.db2.gz NNOUPGYDHXLKOC-UHFFFAOYSA-N -1 3 388.387 3.777 20 0 GHADHM C[C@H](c1ccccc1Cl)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736204058 598236699 /nfs/dbraw/zinc/23/66/99/598236699.db2.gz PPNQTIQFOCOFLZ-CYBMUJFWSA-N -1 3 386.862 3.542 20 0 GHADHM CCCc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000736498266 598238084 /nfs/dbraw/zinc/23/80/84/598238084.db2.gz XQTBIBDWEIJPFL-UHFFFAOYSA-N -1 3 391.475 3.503 20 0 GHADHM CCCc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000736498266 598238087 /nfs/dbraw/zinc/23/80/87/598238087.db2.gz XQTBIBDWEIJPFL-UHFFFAOYSA-N -1 3 391.475 3.503 20 0 GHADHM O=C(c1ccccc1)c1cccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738279495 598250545 /nfs/dbraw/zinc/25/05/45/598250545.db2.gz ULUYTMMNLYXVIB-UHFFFAOYSA-N -1 3 385.427 3.589 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737064118 598266007 /nfs/dbraw/zinc/26/60/07/598266007.db2.gz UIZWLJYEIRXOFO-SFHVURJKSA-N -1 3 396.426 3.677 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737064118 598266008 /nfs/dbraw/zinc/26/60/08/598266008.db2.gz UIZWLJYEIRXOFO-SFHVURJKSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736263427 598267314 /nfs/dbraw/zinc/26/73/14/598267314.db2.gz QQFHHVXZPRUGOL-FZKQIMNGSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736263427 598267316 /nfs/dbraw/zinc/26/73/16/598267316.db2.gz QQFHHVXZPRUGOL-FZKQIMNGSA-N -1 3 378.436 3.969 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCSCC1 ZINC000738186489 598268682 /nfs/dbraw/zinc/26/86/82/598268682.db2.gz ZVBOAKRCUQWPPR-UHFFFAOYSA-N -1 3 396.476 3.630 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCSCC1 ZINC000738186489 598268683 /nfs/dbraw/zinc/26/86/83/598268683.db2.gz ZVBOAKRCUQWPPR-UHFFFAOYSA-N -1 3 396.476 3.630 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000735661857 598276487 /nfs/dbraw/zinc/27/64/87/598276487.db2.gz XLSVWVHDGMGKCP-ZDUSSCGKSA-N -1 3 385.497 3.854 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000735661857 598276489 /nfs/dbraw/zinc/27/64/89/598276489.db2.gz XLSVWVHDGMGKCP-ZDUSSCGKSA-N -1 3 385.497 3.854 20 0 GHADHM CC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C)cs1 ZINC000736368239 598277443 /nfs/dbraw/zinc/27/74/43/598277443.db2.gz BJPLUMFQRFSJSH-GFCCVEGCSA-N -1 3 393.929 3.723 20 0 GHADHM CC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C)cs1 ZINC000736368239 598277445 /nfs/dbraw/zinc/27/74/45/598277445.db2.gz BJPLUMFQRFSJSH-GFCCVEGCSA-N -1 3 393.929 3.723 20 0 GHADHM CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749287 598278968 /nfs/dbraw/zinc/27/89/68/598278968.db2.gz PQHKQNCAOHBFMH-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749287 598278970 /nfs/dbraw/zinc/27/89/70/598278970.db2.gz PQHKQNCAOHBFMH-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccccc2)CCC1 ZINC000735661165 598279311 /nfs/dbraw/zinc/27/93/11/598279311.db2.gz RXGIZSVNLKNOSW-UHFFFAOYSA-N -1 3 379.468 3.624 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccccc2)CCC1 ZINC000735661165 598279312 /nfs/dbraw/zinc/27/93/12/598279312.db2.gz RXGIZSVNLKNOSW-UHFFFAOYSA-N -1 3 379.468 3.624 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737325748 598279740 /nfs/dbraw/zinc/27/97/40/598279740.db2.gz HMNCBOXCTKPMBI-UHFFFAOYSA-N -1 3 397.454 3.835 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737325748 598279742 /nfs/dbraw/zinc/27/97/42/598279742.db2.gz HMNCBOXCTKPMBI-UHFFFAOYSA-N -1 3 397.454 3.835 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737203745 598280622 /nfs/dbraw/zinc/28/06/22/598280622.db2.gz VZGKEICGTJMWDO-UHFFFAOYSA-N -1 3 385.399 3.945 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737203745 598280624 /nfs/dbraw/zinc/28/06/24/598280624.db2.gz VZGKEICGTJMWDO-UHFFFAOYSA-N -1 3 385.399 3.945 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737318180 598280676 /nfs/dbraw/zinc/28/06/76/598280676.db2.gz SZAXIYFZQLXUAQ-AWEZNQCLSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737318180 598280678 /nfs/dbraw/zinc/28/06/78/598280678.db2.gz SZAXIYFZQLXUAQ-AWEZNQCLSA-N -1 3 397.454 3.868 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1F)C1CCCCC1 ZINC000737954496 598283659 /nfs/dbraw/zinc/28/36/59/598283659.db2.gz NNKWEIGYSRJLGG-UHFFFAOYSA-N -1 3 393.466 3.910 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1F)C1CCCCC1 ZINC000737954496 598283660 /nfs/dbraw/zinc/28/36/60/598283660.db2.gz NNKWEIGYSRJLGG-UHFFFAOYSA-N -1 3 393.466 3.910 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735639099 598284205 /nfs/dbraw/zinc/28/42/05/598284205.db2.gz ABJDRHXXPNUCLL-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735639099 598284206 /nfs/dbraw/zinc/28/42/06/598284206.db2.gz ABJDRHXXPNUCLL-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736330421 598297303 /nfs/dbraw/zinc/29/73/03/598297303.db2.gz YAZIDWXVMLBINS-IEZBTEQYSA-N -1 3 394.431 3.671 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736330421 598297305 /nfs/dbraw/zinc/29/73/05/598297305.db2.gz YAZIDWXVMLBINS-IEZBTEQYSA-N -1 3 394.431 3.671 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736326285 598297524 /nfs/dbraw/zinc/29/75/24/598297524.db2.gz IDDGTJIYHICFDE-IWMPZKFUSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736326285 598297525 /nfs/dbraw/zinc/29/75/25/598297525.db2.gz IDDGTJIYHICFDE-IWMPZKFUSA-N -1 3 395.438 3.513 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737447493 598311681 /nfs/dbraw/zinc/31/16/81/598311681.db2.gz CQDWMRHMZBJWRN-MDZDMXLPSA-N -1 3 389.440 3.917 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737447493 598311683 /nfs/dbraw/zinc/31/16/83/598311683.db2.gz CQDWMRHMZBJWRN-MDZDMXLPSA-N -1 3 389.440 3.917 20 0 GHADHM O=C(c1cccc(CSCc2cccc(-c3nnn[n-]3)c2)c1)N1CCCCC1 ZINC000738274237 598313777 /nfs/dbraw/zinc/31/37/77/598313777.db2.gz QOQCONBUDZJVQI-UHFFFAOYSA-N -1 3 393.516 3.926 20 0 GHADHM O=C(c1cccc(CSCc2cccc(-c3nn[n-]n3)c2)c1)N1CCCCC1 ZINC000738274237 598313779 /nfs/dbraw/zinc/31/37/79/598313779.db2.gz QOQCONBUDZJVQI-UHFFFAOYSA-N -1 3 393.516 3.926 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000736118359 598317276 /nfs/dbraw/zinc/31/72/76/598317276.db2.gz NLMFPIVGNUZAGG-CYBMUJFWSA-N -1 3 396.470 3.864 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000736118359 598317278 /nfs/dbraw/zinc/31/72/78/598317278.db2.gz NLMFPIVGNUZAGG-CYBMUJFWSA-N -1 3 396.470 3.864 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735985457 598318408 /nfs/dbraw/zinc/31/84/08/598318408.db2.gz LGSBWSMOBBYVBK-CQSZACIVSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735985457 598318410 /nfs/dbraw/zinc/31/84/10/598318410.db2.gz LGSBWSMOBBYVBK-CQSZACIVSA-N -1 3 396.470 3.561 20 0 GHADHM Fc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737667867 598323376 /nfs/dbraw/zinc/32/33/76/598323376.db2.gz RKYNEYLFTSAKSS-HNNXBMFYSA-N -1 3 388.859 3.633 20 0 GHADHM Fc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737667867 598323378 /nfs/dbraw/zinc/32/33/78/598323378.db2.gz RKYNEYLFTSAKSS-HNNXBMFYSA-N -1 3 388.859 3.633 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736248557 598327120 /nfs/dbraw/zinc/32/71/20/598327120.db2.gz JEGOWMOSCWPHSN-CABCVRRESA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736248557 598327122 /nfs/dbraw/zinc/32/71/22/598327122.db2.gz JEGOWMOSCWPHSN-CABCVRRESA-N -1 3 395.463 3.595 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000736480902 598327516 /nfs/dbraw/zinc/32/75/16/598327516.db2.gz OQZLOCCCZCFGJP-UHFFFAOYSA-N -1 3 384.509 3.673 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000736480902 598327518 /nfs/dbraw/zinc/32/75/18/598327518.db2.gz OQZLOCCCZCFGJP-UHFFFAOYSA-N -1 3 384.509 3.673 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nccc2ccccc21 ZINC000735831119 598331436 /nfs/dbraw/zinc/33/14/36/598331436.db2.gz ODLPELXVMWLVRT-UHFFFAOYSA-N -1 3 386.459 3.713 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nccc2ccccc21 ZINC000735831119 598331439 /nfs/dbraw/zinc/33/14/39/598331439.db2.gz ODLPELXVMWLVRT-UHFFFAOYSA-N -1 3 386.459 3.713 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccnc2c(Br)cccc12 ZINC000736816710 598342684 /nfs/dbraw/zinc/34/26/84/598342684.db2.gz OUQBJFUHJKNZSE-UHFFFAOYSA-N -1 3 395.264 3.814 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000592013804 598358053 /nfs/dbraw/zinc/35/80/53/598358053.db2.gz ITDHXVUUYKRFDO-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000592013804 598358054 /nfs/dbraw/zinc/35/80/54/598358054.db2.gz ITDHXVUUYKRFDO-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000737395990 598359162 /nfs/dbraw/zinc/35/91/62/598359162.db2.gz DPKIFDRKMUPGKX-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000737395990 598359163 /nfs/dbraw/zinc/35/91/63/598359163.db2.gz DPKIFDRKMUPGKX-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736096563 598359854 /nfs/dbraw/zinc/35/98/54/598359854.db2.gz AAOPOGBXMJWSLK-OCHBPSSRSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736096563 598359856 /nfs/dbraw/zinc/35/98/56/598359856.db2.gz AAOPOGBXMJWSLK-OCHBPSSRSA-N -1 3 375.457 3.972 20 0 GHADHM Cc1cccc(CC(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000737392523 598365822 /nfs/dbraw/zinc/36/58/22/598365822.db2.gz XPZMFKUBYJXPGC-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(CC(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000737392523 598365824 /nfs/dbraw/zinc/36/58/24/598365824.db2.gz XPZMFKUBYJXPGC-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)c3sccc3-c3nnn[n-]3)c2)c1 ZINC000737381120 598367100 /nfs/dbraw/zinc/36/71/00/598367100.db2.gz TXUWIHLMXKBZPL-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)c3sccc3-c3nn[n-]n3)c2)c1 ZINC000737381120 598367102 /nfs/dbraw/zinc/36/71/02/598367102.db2.gz TXUWIHLMXKBZPL-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113500 598371025 /nfs/dbraw/zinc/37/10/25/598371025.db2.gz OTVKAWJASSOZQP-AEFFLSMTSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113500 598371027 /nfs/dbraw/zinc/37/10/27/598371027.db2.gz OTVKAWJASSOZQP-AEFFLSMTSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737463056 598371753 /nfs/dbraw/zinc/37/17/53/598371753.db2.gz GGBWNJWXXSYALV-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737463056 598371755 /nfs/dbraw/zinc/37/17/55/598371755.db2.gz GGBWNJWXXSYALV-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737146099 598372965 /nfs/dbraw/zinc/37/29/65/598372965.db2.gz FRJOCFCIJUYVDX-SFHVURJKSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737146099 598372968 /nfs/dbraw/zinc/37/29/68/598372968.db2.gz FRJOCFCIJUYVDX-SFHVURJKSA-N -1 3 392.463 3.943 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736787793 598379924 /nfs/dbraw/zinc/37/99/24/598379924.db2.gz FNPWHLBMCLLOAI-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736787793 598379927 /nfs/dbraw/zinc/37/99/27/598379927.db2.gz FNPWHLBMCLLOAI-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM Clc1ccc(OCCCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737574136 598388073 /nfs/dbraw/zinc/38/80/73/598388073.db2.gz QOCAUGTWVVTHMZ-UHFFFAOYSA-N -1 3 379.251 3.840 20 0 GHADHM Clc1ccc(OCCCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737574136 598388074 /nfs/dbraw/zinc/38/80/74/598388074.db2.gz QOCAUGTWVVTHMZ-UHFFFAOYSA-N -1 3 379.251 3.840 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1SC(F)F ZINC000736823661 598421165 /nfs/dbraw/zinc/42/11/65/598421165.db2.gz ZEFWUKRDPWQQHW-UHFFFAOYSA-N -1 3 381.433 3.515 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1SC(F)F ZINC000736823661 598421166 /nfs/dbraw/zinc/42/11/66/598421166.db2.gz ZEFWUKRDPWQQHW-UHFFFAOYSA-N -1 3 381.433 3.515 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736103479 598421734 /nfs/dbraw/zinc/42/17/34/598421734.db2.gz WVHXBFFDOYDWJR-BSYHEUMXSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736103479 598421737 /nfs/dbraw/zinc/42/17/37/598421737.db2.gz WVHXBFFDOYDWJR-BSYHEUMXSA-N -1 3 375.457 3.972 20 0 GHADHM c1ccc([C@H](Nc2ncccc2-c2nnn[n-]2)c2ccc3c(c2)CCCO3)cc1 ZINC000738429031 598426892 /nfs/dbraw/zinc/42/68/92/598426892.db2.gz RNGYUKYFOXJPTE-FQEVSTJZSA-N -1 3 384.443 3.788 20 0 GHADHM c1ccc([C@H](Nc2ncccc2-c2nn[n-]n2)c2ccc3c(c2)CCCO3)cc1 ZINC000738429031 598426894 /nfs/dbraw/zinc/42/68/94/598426894.db2.gz RNGYUKYFOXJPTE-FQEVSTJZSA-N -1 3 384.443 3.788 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@H](C)c1ccccc1 ZINC000735986733 598429855 /nfs/dbraw/zinc/42/98/55/598429855.db2.gz PQMACFHBJQOTSZ-KRWDZBQOSA-N -1 3 392.507 3.981 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@H](C)c1ccccc1 ZINC000735986733 598429857 /nfs/dbraw/zinc/42/98/57/598429857.db2.gz PQMACFHBJQOTSZ-KRWDZBQOSA-N -1 3 392.507 3.981 20 0 GHADHM CC(C)c1ccc(CN(CC(=O)Nc2sccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000735925103 598437771 /nfs/dbraw/zinc/43/77/71/598437771.db2.gz XYWJMMMJWINLOI-UHFFFAOYSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)c1ccc(CN(CC(=O)Nc2sccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000735925103 598437773 /nfs/dbraw/zinc/43/77/73/598437773.db2.gz XYWJMMMJWINLOI-UHFFFAOYSA-N -1 3 396.520 3.655 20 0 GHADHM CCn1c(CSc2nc(C)cc(C)c2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000736714924 598439773 /nfs/dbraw/zinc/43/97/73/598439773.db2.gz WTRMNEMCIBOWKV-UHFFFAOYSA-N -1 3 383.456 3.680 20 0 GHADHM CCn1c(CSc2nc(C)cc(C)c2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC000736714924 598439774 /nfs/dbraw/zinc/43/97/74/598439774.db2.gz WTRMNEMCIBOWKV-UHFFFAOYSA-N -1 3 383.456 3.680 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737416441 598442726 /nfs/dbraw/zinc/44/27/26/598442726.db2.gz AEQZQFJLUVQXOM-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737416441 598442727 /nfs/dbraw/zinc/44/27/27/598442727.db2.gz AEQZQFJLUVQXOM-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000737059547 598449915 /nfs/dbraw/zinc/44/99/15/598449915.db2.gz WMZWPNFJHWAJFT-ROUUACIJSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000737059547 598449917 /nfs/dbraw/zinc/44/99/17/598449917.db2.gz WMZWPNFJHWAJFT-ROUUACIJSA-N -1 3 385.427 3.771 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738261239 598461220 /nfs/dbraw/zinc/46/12/20/598461220.db2.gz LIMDYICOALWWJA-HNNXBMFYSA-N -1 3 389.246 3.546 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738261239 598461222 /nfs/dbraw/zinc/46/12/22/598461222.db2.gz LIMDYICOALWWJA-HNNXBMFYSA-N -1 3 389.246 3.546 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000737088544 598473291 /nfs/dbraw/zinc/47/32/91/598473291.db2.gz MYELRZSWAKJADE-UHFFFAOYSA-N -1 3 398.438 3.861 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000737088544 598473293 /nfs/dbraw/zinc/47/32/93/598473293.db2.gz MYELRZSWAKJADE-UHFFFAOYSA-N -1 3 398.438 3.861 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737417202 598473357 /nfs/dbraw/zinc/47/33/57/598473357.db2.gz HMSQRLLQLUVFHU-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737417202 598473358 /nfs/dbraw/zinc/47/33/58/598473358.db2.gz HMSQRLLQLUVFHU-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735914791 598475888 /nfs/dbraw/zinc/47/58/88/598475888.db2.gz JLAWGNSEODZHNK-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735914791 598475889 /nfs/dbraw/zinc/47/58/89/598475889.db2.gz JLAWGNSEODZHNK-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CCOCc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000736625740 598476653 /nfs/dbraw/zinc/47/66/53/598476653.db2.gz LOHBRVUGTDYCST-UHFFFAOYSA-N -1 3 392.463 3.600 20 0 GHADHM CCOCc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000736625740 598476655 /nfs/dbraw/zinc/47/66/55/598476655.db2.gz LOHBRVUGTDYCST-UHFFFAOYSA-N -1 3 392.463 3.600 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736365959 598479961 /nfs/dbraw/zinc/47/99/61/598479961.db2.gz XRIDFSISXMHZAW-IBGZPJMESA-N -1 3 376.464 3.692 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736365959 598479963 /nfs/dbraw/zinc/47/99/63/598479963.db2.gz XRIDFSISXMHZAW-IBGZPJMESA-N -1 3 376.464 3.692 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737471825 598483709 /nfs/dbraw/zinc/48/37/09/598483709.db2.gz UKJBYSODKFMMCA-SNVBAGLBSA-N -1 3 377.326 3.507 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737471825 598483711 /nfs/dbraw/zinc/48/37/11/598483711.db2.gz UKJBYSODKFMMCA-SNVBAGLBSA-N -1 3 377.326 3.507 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148449 598485951 /nfs/dbraw/zinc/48/59/51/598485951.db2.gz CVNMRMOHXNBBAJ-PCGIRMHASA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148449 598485953 /nfs/dbraw/zinc/48/59/53/598485953.db2.gz CVNMRMOHXNBBAJ-PCGIRMHASA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736149314 598490125 /nfs/dbraw/zinc/49/01/25/598490125.db2.gz JJKGXLKQNMHKJP-AWEZNQCLSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736149314 598490127 /nfs/dbraw/zinc/49/01/27/598490127.db2.gz JJKGXLKQNMHKJP-AWEZNQCLSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163316 598490796 /nfs/dbraw/zinc/49/07/96/598490796.db2.gz MYGKQGWYMDBDLN-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163316 598490797 /nfs/dbraw/zinc/49/07/97/598490797.db2.gz MYGKQGWYMDBDLN-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737473839 598490793 /nfs/dbraw/zinc/49/07/93/598490793.db2.gz HWEPCFMOLWXUOE-UHFFFAOYSA-N -1 3 387.513 3.639 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737473839 598490795 /nfs/dbraw/zinc/49/07/95/598490795.db2.gz HWEPCFMOLWXUOE-UHFFFAOYSA-N -1 3 387.513 3.639 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737257601 598492315 /nfs/dbraw/zinc/49/23/15/598492315.db2.gz XCAIVOYURRGKMQ-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737257601 598492316 /nfs/dbraw/zinc/49/23/16/598492316.db2.gz XCAIVOYURRGKMQ-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000735904742 598492983 /nfs/dbraw/zinc/49/29/83/598492983.db2.gz APSRFBJSHHMHBM-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1csc(-c2ccoc2)n1 ZINC000738208252 598493682 /nfs/dbraw/zinc/49/36/82/598493682.db2.gz KYNHKJMANSMVMT-UHFFFAOYSA-N -1 3 398.473 3.776 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1csc(-c2ccoc2)n1 ZINC000738208252 598493683 /nfs/dbraw/zinc/49/36/83/598493683.db2.gz KYNHKJMANSMVMT-UHFFFAOYSA-N -1 3 398.473 3.776 20 0 GHADHM CC(=O)c1ccc(Cl)c(Cl)c1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735495528 598494140 /nfs/dbraw/zinc/49/41/40/598494140.db2.gz JNSSTIOHCRQAGP-UHFFFAOYSA-N -1 3 393.230 3.834 20 0 GHADHM CC(=O)c1ccc(Cl)c(Cl)c1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735495528 598494142 /nfs/dbraw/zinc/49/41/42/598494142.db2.gz JNSSTIOHCRQAGP-UHFFFAOYSA-N -1 3 393.230 3.834 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737473663 598496714 /nfs/dbraw/zinc/49/67/14/598496714.db2.gz GDCRBRKUIPMWMG-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737473663 598496716 /nfs/dbraw/zinc/49/67/16/598496716.db2.gz GDCRBRKUIPMWMG-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000736685017 598497930 /nfs/dbraw/zinc/49/79/30/598497930.db2.gz CVJQPZPAGVBFQL-OAHLLOKOSA-N -1 3 375.476 3.724 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000736685017 598497932 /nfs/dbraw/zinc/49/79/32/598497932.db2.gz CVJQPZPAGVBFQL-OAHLLOKOSA-N -1 3 375.476 3.724 20 0 GHADHM Cc1sc(NC(=O)c2cc(F)c(Cl)nc2Cl)c(-c2nnn[n-]2)c1C ZINC000737562759 598505889 /nfs/dbraw/zinc/50/58/89/598505889.db2.gz MKHLQSKNSXLWFC-UHFFFAOYSA-N -1 3 387.227 3.638 20 0 GHADHM Cc1sc(NC(=O)c2cc(F)c(Cl)nc2Cl)c(-c2nn[n-]n2)c1C ZINC000737562759 598505891 /nfs/dbraw/zinc/50/58/91/598505891.db2.gz MKHLQSKNSXLWFC-UHFFFAOYSA-N -1 3 387.227 3.638 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736352091 598513191 /nfs/dbraw/zinc/51/31/91/598513191.db2.gz SAFBEQIZETVHNV-ZDUSSCGKSA-N -1 3 386.912 3.828 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736352091 598513194 /nfs/dbraw/zinc/51/31/94/598513194.db2.gz SAFBEQIZETVHNV-ZDUSSCGKSA-N -1 3 386.912 3.828 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(c1ccccc1)C1CCCC1 ZINC000736169573 598534274 /nfs/dbraw/zinc/53/42/74/598534274.db2.gz LAJVMCJLLLBKDE-HNNXBMFYSA-N -1 3 377.448 3.610 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000736119589 598536794 /nfs/dbraw/zinc/53/67/94/598536794.db2.gz PJMPJGVOJSLCNZ-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000737360003 598539518 /nfs/dbraw/zinc/53/95/18/598539518.db2.gz JPQRYLCJJKFELG-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737251479 598539540 /nfs/dbraw/zinc/53/95/40/598539540.db2.gz SJDXVDFNLHTOMU-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)c1ccoc1 ZINC000738173893 598543041 /nfs/dbraw/zinc/54/30/41/598543041.db2.gz VINRQKWXMQFXBT-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)c1ccoc1 ZINC000738173893 598543042 /nfs/dbraw/zinc/54/30/42/598543042.db2.gz VINRQKWXMQFXBT-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110630 598543474 /nfs/dbraw/zinc/54/34/74/598543474.db2.gz IOKWABMQOLAIAV-HOTGVXAUSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110630 598543476 /nfs/dbraw/zinc/54/34/76/598543476.db2.gz IOKWABMQOLAIAV-HOTGVXAUSA-N -1 3 390.491 3.938 20 0 GHADHM O=C1Nc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738317308 598546795 /nfs/dbraw/zinc/54/67/95/598546795.db2.gz BVIHTODQNQXXBA-MOSHPQCFSA-N -1 3 395.422 3.938 20 0 GHADHM O=C1Nc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738317308 598546797 /nfs/dbraw/zinc/54/67/97/598546797.db2.gz BVIHTODQNQXXBA-MOSHPQCFSA-N -1 3 395.422 3.938 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737521897 598550448 /nfs/dbraw/zinc/55/04/48/598550448.db2.gz KSQVFZYQHFLNJM-UHFFFAOYSA-N -1 3 398.829 3.791 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737521897 598550449 /nfs/dbraw/zinc/55/04/49/598550449.db2.gz KSQVFZYQHFLNJM-UHFFFAOYSA-N -1 3 398.829 3.791 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736605155 598551745 /nfs/dbraw/zinc/55/17/45/598551745.db2.gz DZXVGPOPVSDIQE-UHFFFAOYSA-N -1 3 382.351 3.508 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736605155 598551747 /nfs/dbraw/zinc/55/17/47/598551747.db2.gz DZXVGPOPVSDIQE-UHFFFAOYSA-N -1 3 382.351 3.508 20 0 GHADHM CSC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000737179197 598553686 /nfs/dbraw/zinc/55/36/86/598553686.db2.gz IZYUQEZDUVQAEP-JTQLQIEISA-N -1 3 385.518 3.631 20 0 GHADHM CSC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000737179197 598553687 /nfs/dbraw/zinc/55/36/87/598553687.db2.gz IZYUQEZDUVQAEP-JTQLQIEISA-N -1 3 385.518 3.631 20 0 GHADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236184 598558645 /nfs/dbraw/zinc/55/86/45/598558645.db2.gz ILSOEGIXNFAYMF-BZNIZROVSA-N -1 3 398.854 3.629 20 0 GHADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236184 598558646 /nfs/dbraw/zinc/55/86/46/598558646.db2.gz ILSOEGIXNFAYMF-BZNIZROVSA-N -1 3 398.854 3.629 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NCCC(C)C ZINC000737280376 598559234 /nfs/dbraw/zinc/55/92/34/598559234.db2.gz QYMROQKDCRUWTI-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NCCC(C)C ZINC000737280376 598559235 /nfs/dbraw/zinc/55/92/35/598559235.db2.gz QYMROQKDCRUWTI-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM CCCCN(CCCC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736455754 598560555 /nfs/dbraw/zinc/56/05/55/598560555.db2.gz ANTSLIVZFPSILI-UHFFFAOYSA-N -1 3 382.415 3.902 20 0 GHADHM CCCCN(CCCC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736455754 598560556 /nfs/dbraw/zinc/56/05/56/598560556.db2.gz ANTSLIVZFPSILI-UHFFFAOYSA-N -1 3 382.415 3.902 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736399450 598561974 /nfs/dbraw/zinc/56/19/74/598561974.db2.gz GUMDXXLQBZPUSY-JQWIXIFHSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736399450 598561976 /nfs/dbraw/zinc/56/19/76/598561976.db2.gz GUMDXXLQBZPUSY-JQWIXIFHSA-N -1 3 380.399 3.558 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC[C@H]1C1CCCC1 ZINC000738146104 598562674 /nfs/dbraw/zinc/56/26/74/598562674.db2.gz PRAFIFMKZLGJCY-AWEZNQCLSA-N -1 3 392.410 3.655 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC[C@H]1C1CCCC1 ZINC000738146104 598562675 /nfs/dbraw/zinc/56/26/75/598562675.db2.gz PRAFIFMKZLGJCY-AWEZNQCLSA-N -1 3 392.410 3.655 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503246 598568046 /nfs/dbraw/zinc/56/80/46/598568046.db2.gz UQSFQFCIBWXEIP-OAUYIBNBSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503246 598568047 /nfs/dbraw/zinc/56/80/47/598568047.db2.gz UQSFQFCIBWXEIP-OAUYIBNBSA-N -1 3 397.429 3.858 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737561570 598568697 /nfs/dbraw/zinc/56/86/97/598568697.db2.gz IXENZBZUKGUCJR-MNOVXSKESA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737561570 598568699 /nfs/dbraw/zinc/56/86/99/598568699.db2.gz IXENZBZUKGUCJR-MNOVXSKESA-N -1 3 375.404 3.565 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2COc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737631005 598572241 /nfs/dbraw/zinc/57/22/41/598572241.db2.gz AYHMBTJVIQGIPF-NSHDSACASA-N -1 3 375.354 3.549 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2COc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737631005 598572242 /nfs/dbraw/zinc/57/22/42/598572242.db2.gz AYHMBTJVIQGIPF-NSHDSACASA-N -1 3 375.354 3.549 20 0 GHADHM COCCOc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737016022 598576329 /nfs/dbraw/zinc/57/63/29/598576329.db2.gz UHQSNALEPHPJFP-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737016022 598576331 /nfs/dbraw/zinc/57/63/31/598576331.db2.gz UHQSNALEPHPJFP-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM FC(F)(F)c1cc(NCc2ccccc2-n2cccn2)ccc1-c1nnn[n-]1 ZINC000737633208 598578314 /nfs/dbraw/zinc/57/83/14/598578314.db2.gz PEBVVGLDGLEFSA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(NCc2ccccc2-n2cccn2)ccc1-c1nn[n-]n1 ZINC000737633208 598578318 /nfs/dbraw/zinc/57/83/18/598578318.db2.gz PEBVVGLDGLEFSA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM COc1ccc([C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)cc1 ZINC000737073871 598579543 /nfs/dbraw/zinc/57/95/43/598579543.db2.gz CQRMMEGRCHAYHY-CYBMUJFWSA-N -1 3 389.381 3.888 20 0 GHADHM COc1ccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)cc1 ZINC000737073871 598579544 /nfs/dbraw/zinc/57/95/44/598579544.db2.gz CQRMMEGRCHAYHY-CYBMUJFWSA-N -1 3 389.381 3.888 20 0 GHADHM Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737658667 598581163 /nfs/dbraw/zinc/58/11/63/598581163.db2.gz GQNKANPARXOMRI-UHFFFAOYSA-N -1 3 382.346 3.834 20 0 GHADHM Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737658667 598581161 /nfs/dbraw/zinc/58/11/61/598581161.db2.gz GQNKANPARXOMRI-UHFFFAOYSA-N -1 3 382.346 3.834 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737633736 598581144 /nfs/dbraw/zinc/58/11/44/598581144.db2.gz VNMNHDDZSLDFGZ-LLVKDONJSA-N -1 3 375.354 3.864 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737633736 598581146 /nfs/dbraw/zinc/58/11/46/598581146.db2.gz VNMNHDDZSLDFGZ-LLVKDONJSA-N -1 3 375.354 3.864 20 0 GHADHM CCCCN(CCOC)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736455863 598586065 /nfs/dbraw/zinc/58/60/65/598586065.db2.gz DPAQPYCMRRGEIG-UHFFFAOYSA-N -1 3 395.463 3.548 20 0 GHADHM CCCCN(CCOC)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736455863 598586067 /nfs/dbraw/zinc/58/60/67/598586067.db2.gz DPAQPYCMRRGEIG-UHFFFAOYSA-N -1 3 395.463 3.548 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737853842 598589218 /nfs/dbraw/zinc/58/92/18/598589218.db2.gz VVWHXONAZZGBIN-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737853842 598589220 /nfs/dbraw/zinc/58/92/20/598589220.db2.gz VVWHXONAZZGBIN-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000737561639 598590737 /nfs/dbraw/zinc/59/07/37/598590737.db2.gz GHSNNTQLUUYINM-CYBMUJFWSA-N -1 3 383.868 3.866 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000737561639 598590739 /nfs/dbraw/zinc/59/07/39/598590739.db2.gz GHSNNTQLUUYINM-CYBMUJFWSA-N -1 3 383.868 3.866 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737947316 598591109 /nfs/dbraw/zinc/59/11/09/598591109.db2.gz LXJVXPZQDZKECI-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737947316 598591110 /nfs/dbraw/zinc/59/11/10/598591110.db2.gz LXJVXPZQDZKECI-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Br)ccc1Cl ZINC000738167726 598592779 /nfs/dbraw/zinc/59/27/79/598592779.db2.gz SKCCLIONSKPZPU-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Br)ccc1Cl ZINC000738167726 598592781 /nfs/dbraw/zinc/59/27/81/598592781.db2.gz SKCCLIONSKPZPU-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM c1cc(-c2nc(C3CCCC3)no2)oc1COc1ccccc1-c1nnn[n-]1 ZINC000738427870 598610075 /nfs/dbraw/zinc/61/00/75/598610075.db2.gz YLBXLYWUORMVMT-UHFFFAOYSA-N -1 3 378.392 3.746 20 0 GHADHM c1cc(-c2nc(C3CCCC3)no2)oc1COc1ccccc1-c1nn[n-]n1 ZINC000738427870 598610076 /nfs/dbraw/zinc/61/00/76/598610076.db2.gz YLBXLYWUORMVMT-UHFFFAOYSA-N -1 3 378.392 3.746 20 0 GHADHM CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735790266 598610645 /nfs/dbraw/zinc/61/06/45/598610645.db2.gz YVNPEIFTPOGFNC-AWEZNQCLSA-N -1 3 399.455 3.529 20 0 GHADHM CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735790266 598610647 /nfs/dbraw/zinc/61/06/47/598610647.db2.gz YVNPEIFTPOGFNC-AWEZNQCLSA-N -1 3 399.455 3.529 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738433278 598611582 /nfs/dbraw/zinc/61/15/82/598611582.db2.gz PDBCENOJPYHBDM-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738433278 598611584 /nfs/dbraw/zinc/61/15/84/598611584.db2.gz PDBCENOJPYHBDM-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736166921 598612202 /nfs/dbraw/zinc/61/22/02/598612202.db2.gz ASAFEKIURIZOLC-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736166922 598612453 /nfs/dbraw/zinc/61/24/53/598612453.db2.gz ASAFEKIURIZOLC-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737115401 598628266 /nfs/dbraw/zinc/62/82/66/598628266.db2.gz PMIIAKQSECWJJL-SFHVURJKSA-N -1 3 396.426 3.556 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737115401 598628268 /nfs/dbraw/zinc/62/82/68/598628268.db2.gz PMIIAKQSECWJJL-SFHVURJKSA-N -1 3 396.426 3.556 20 0 GHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736828973 598631503 /nfs/dbraw/zinc/63/15/03/598631503.db2.gz TZVZLJMLPDVJOC-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736828973 598631504 /nfs/dbraw/zinc/63/15/04/598631504.db2.gz TZVZLJMLPDVJOC-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735639870 598633949 /nfs/dbraw/zinc/63/39/49/598633949.db2.gz RMJAZCKKMCAMNA-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735639870 598633950 /nfs/dbraw/zinc/63/39/50/598633950.db2.gz RMJAZCKKMCAMNA-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM O=C(c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1)N1CCCCC1 ZINC000738258090 598638153 /nfs/dbraw/zinc/63/81/53/598638153.db2.gz NHXOCSSVOYIMHJ-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1)N1CCCCC1 ZINC000738258090 598638154 /nfs/dbraw/zinc/63/81/54/598638154.db2.gz NHXOCSSVOYIMHJ-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM Brc1cccc(-c2c[nH]c(C=Cc3ccc(-c4nnn[n-]4)cn3)n2)c1 ZINC000735367896 598638242 /nfs/dbraw/zinc/63/82/42/598638242.db2.gz ALJMFPYCBVHOBY-VOTSOKGWSA-N -1 3 394.236 3.585 20 0 GHADHM Brc1cccc(-c2c[nH]c(C=Cc3ccc(-c4nn[n-]n4)cn3)n2)c1 ZINC000735367896 598638243 /nfs/dbraw/zinc/63/82/43/598638243.db2.gz ALJMFPYCBVHOBY-VOTSOKGWSA-N -1 3 394.236 3.585 20 0 GHADHM O=C(Nc1ccccc1Cl)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738190465 598644092 /nfs/dbraw/zinc/64/40/92/598644092.db2.gz OGBHEJQAIWRDNF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1Cl)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738190465 598644094 /nfs/dbraw/zinc/64/40/94/598644094.db2.gz OGBHEJQAIWRDNF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737827573 598645736 /nfs/dbraw/zinc/64/57/36/598645736.db2.gz ZLVLUVRFRFZGKN-SFHVURJKSA-N -1 3 378.432 3.788 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737827573 598645737 /nfs/dbraw/zinc/64/57/37/598645737.db2.gz ZLVLUVRFRFZGKN-SFHVURJKSA-N -1 3 378.432 3.788 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736689461 598646902 /nfs/dbraw/zinc/64/69/02/598646902.db2.gz WUYMPRPNZVQNKP-INIZCTEOSA-N -1 3 393.491 3.856 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736689461 598646903 /nfs/dbraw/zinc/64/69/03/598646903.db2.gz WUYMPRPNZVQNKP-INIZCTEOSA-N -1 3 393.491 3.856 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(Cl)cc1Cl ZINC000737942397 598647675 /nfs/dbraw/zinc/64/76/75/598647675.db2.gz ZMZXRMRMMFOQSZ-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(Cl)cc1Cl ZINC000737942397 598647677 /nfs/dbraw/zinc/64/76/77/598647677.db2.gz ZMZXRMRMMFOQSZ-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM CC(C)c1csc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000735939748 598648159 /nfs/dbraw/zinc/64/81/59/598648159.db2.gz RKVVJRJBIQKRIM-UHFFFAOYSA-N -1 3 386.481 3.634 20 0 GHADHM CC(C)c1csc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000735939748 598648161 /nfs/dbraw/zinc/64/81/61/598648161.db2.gz RKVVJRJBIQKRIM-UHFFFAOYSA-N -1 3 386.481 3.634 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000735449244 598649066 /nfs/dbraw/zinc/64/90/66/598649066.db2.gz NQXVUMGHMPAUFG-KAMYIIQDSA-N -1 3 377.423 3.600 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000735449244 598649067 /nfs/dbraw/zinc/64/90/67/598649067.db2.gz NQXVUMGHMPAUFG-KAMYIIQDSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2nccs2)cc1 ZINC000737941331 598649427 /nfs/dbraw/zinc/64/94/27/598649427.db2.gz LMOFVHVUTURKDJ-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2nccs2)cc1 ZINC000737941331 598649428 /nfs/dbraw/zinc/64/94/28/598649428.db2.gz LMOFVHVUTURKDJ-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccccc2)CCCC1 ZINC000737942249 598650634 /nfs/dbraw/zinc/65/06/34/598650634.db2.gz WVFMCFXLHWEZRG-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccccc2)CCCC1 ZINC000737942249 598650635 /nfs/dbraw/zinc/65/06/35/598650635.db2.gz WVFMCFXLHWEZRG-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM CC(C)N(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735875817 598651061 /nfs/dbraw/zinc/65/10/61/598651061.db2.gz QSZNUNXGBTXZKI-UHFFFAOYSA-N -1 3 399.520 3.915 20 0 GHADHM CC(C)N(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735875817 598651063 /nfs/dbraw/zinc/65/10/63/598651063.db2.gz QSZNUNXGBTXZKI-UHFFFAOYSA-N -1 3 399.520 3.915 20 0 GHADHM CCN(Cc1ccc(C)cc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736555229 598651536 /nfs/dbraw/zinc/65/15/36/598651536.db2.gz KCSOSGCHKYEHRS-UHFFFAOYSA-N -1 3 393.491 3.773 20 0 GHADHM CCN(Cc1ccc(C)cc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736555229 598651538 /nfs/dbraw/zinc/65/15/38/598651538.db2.gz KCSOSGCHKYEHRS-UHFFFAOYSA-N -1 3 393.491 3.773 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736528904 598651560 /nfs/dbraw/zinc/65/15/60/598651560.db2.gz FRJHHLHVQHRZCK-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736528904 598651561 /nfs/dbraw/zinc/65/15/61/598651561.db2.gz FRJHHLHVQHRZCK-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736201094 598652007 /nfs/dbraw/zinc/65/20/07/598652007.db2.gz GMOQZRNFJHTCJK-AWEZNQCLSA-N -1 3 379.489 3.711 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736201094 598652008 /nfs/dbraw/zinc/65/20/08/598652008.db2.gz GMOQZRNFJHTCJK-AWEZNQCLSA-N -1 3 379.489 3.711 20 0 GHADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735850726 598652624 /nfs/dbraw/zinc/65/26/24/598652624.db2.gz GDKGLCAEPDRFBE-UHFFFAOYSA-N -1 3 379.464 3.857 20 0 GHADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735850726 598652626 /nfs/dbraw/zinc/65/26/26/598652626.db2.gz GDKGLCAEPDRFBE-UHFFFAOYSA-N -1 3 379.464 3.857 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@@H]12 ZINC000736277027 598652992 /nfs/dbraw/zinc/65/29/92/598652992.db2.gz KPQVPAZUYCZWOB-UXPWSPDFSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]12 ZINC000736277027 598652993 /nfs/dbraw/zinc/65/29/93/598652993.db2.gz KPQVPAZUYCZWOB-UXPWSPDFSA-N -1 3 397.523 3.843 20 0 GHADHM Cc1ccc(CCNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737337369 598653957 /nfs/dbraw/zinc/65/39/57/598653957.db2.gz MCMLWJPCULYGQD-UHFFFAOYSA-N -1 3 389.415 3.533 20 0 GHADHM Cc1ccc(CCNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737337369 598653958 /nfs/dbraw/zinc/65/39/58/598653958.db2.gz MCMLWJPCULYGQD-UHFFFAOYSA-N -1 3 389.415 3.533 20 0 GHADHM CC(C)C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735781154 598654619 /nfs/dbraw/zinc/65/46/19/598654619.db2.gz CEDANFKBVJVWBH-OAHLLOKOSA-N -1 3 387.534 3.924 20 0 GHADHM CC(C)C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735781154 598654621 /nfs/dbraw/zinc/65/46/21/598654621.db2.gz CEDANFKBVJVWBH-OAHLLOKOSA-N -1 3 387.534 3.924 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(F)cc2)CCCC1 ZINC000737941453 598657186 /nfs/dbraw/zinc/65/71/86/598657186.db2.gz BDOYGFHDFHWTQW-UHFFFAOYSA-N -1 3 397.479 3.684 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(F)cc2)CCCC1 ZINC000737941453 598657188 /nfs/dbraw/zinc/65/71/88/598657188.db2.gz BDOYGFHDFHWTQW-UHFFFAOYSA-N -1 3 397.479 3.684 20 0 GHADHM Fc1ccc(N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)cc1F ZINC000737660292 598665768 /nfs/dbraw/zinc/66/57/68/598665768.db2.gz QCWIGLJTYIZRBV-NSHDSACASA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)cc1F ZINC000737660292 598665770 /nfs/dbraw/zinc/66/57/70/598665770.db2.gz QCWIGLJTYIZRBV-NSHDSACASA-N -1 3 390.825 3.737 20 0 GHADHM O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738246585 598667123 /nfs/dbraw/zinc/66/71/23/598667123.db2.gz HXDZBIIECRJNTE-UHFFFAOYSA-N -1 3 397.460 3.666 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CC1CCCCC1 ZINC000737941439 598668070 /nfs/dbraw/zinc/66/80/70/598668070.db2.gz ATSDDMSCWUGZJY-KRWDZBQOSA-N -1 3 385.537 3.920 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CC1CCCCC1 ZINC000737941439 598668071 /nfs/dbraw/zinc/66/80/71/598668071.db2.gz ATSDDMSCWUGZJY-KRWDZBQOSA-N -1 3 385.537 3.920 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000737463044 598677011 /nfs/dbraw/zinc/67/70/11/598677011.db2.gz FXVOCSASSSKEQR-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000737463044 598677013 /nfs/dbraw/zinc/67/70/13/598677013.db2.gz FXVOCSASSSKEQR-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737142976 598693132 /nfs/dbraw/zinc/69/31/32/598693132.db2.gz ODFADZKJXVDHET-UHFFFAOYSA-N -1 3 385.427 3.724 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737142976 598693134 /nfs/dbraw/zinc/69/31/34/598693134.db2.gz ODFADZKJXVDHET-UHFFFAOYSA-N -1 3 385.427 3.724 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1NC(=O)C(C)(C)C ZINC000737361409 598700443 /nfs/dbraw/zinc/70/04/43/598700443.db2.gz GWTTUJYGFLFHOD-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1NC(=O)C(C)(C)C ZINC000737361409 598700445 /nfs/dbraw/zinc/70/04/45/598700445.db2.gz GWTTUJYGFLFHOD-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)s2)o1 ZINC000737288749 598707914 /nfs/dbraw/zinc/70/79/14/598707914.db2.gz PTQWVYSMQFVBCQ-UHFFFAOYSA-N -1 3 399.407 3.696 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)s2)o1 ZINC000737288749 598707916 /nfs/dbraw/zinc/70/79/16/598707916.db2.gz PTQWVYSMQFVBCQ-UHFFFAOYSA-N -1 3 399.407 3.696 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000736156001 598713218 /nfs/dbraw/zinc/71/32/18/598713218.db2.gz RFPMDDYSZMCCMW-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000736156001 598713220 /nfs/dbraw/zinc/71/32/20/598713220.db2.gz RFPMDDYSZMCCMW-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000736152234 598726028 /nfs/dbraw/zinc/72/60/28/598726028.db2.gz SEYGWDSTZGIIRE-CQSZACIVSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000736152234 598726029 /nfs/dbraw/zinc/72/60/29/598726029.db2.gz SEYGWDSTZGIIRE-CQSZACIVSA-N -1 3 384.411 3.859 20 0 GHADHM CCc1cccc2c(CCNC(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c[nH]c21 ZINC000736696195 598729593 /nfs/dbraw/zinc/72/95/93/598729593.db2.gz XRUYAVMPHUPBMP-UHFFFAOYSA-N -1 3 389.463 3.583 20 0 GHADHM CCc1cccc2c(CCNC(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c[nH]c21 ZINC000736696195 598729594 /nfs/dbraw/zinc/72/95/94/598729594.db2.gz XRUYAVMPHUPBMP-UHFFFAOYSA-N -1 3 389.463 3.583 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736250791 598734470 /nfs/dbraw/zinc/73/44/70/598734470.db2.gz MLIPPGFUMQNOIZ-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736250791 598734471 /nfs/dbraw/zinc/73/44/71/598734471.db2.gz MLIPPGFUMQNOIZ-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(O[C@@H]1CCc2ccccc21)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738219991 598735879 /nfs/dbraw/zinc/73/58/79/598735879.db2.gz NSDATZGVDNJDFM-LJQANCHMSA-N -1 3 399.410 3.898 20 0 GHADHM O=C(O[C@@H]1CCc2ccccc21)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738219991 598735880 /nfs/dbraw/zinc/73/58/80/598735880.db2.gz NSDATZGVDNJDFM-LJQANCHMSA-N -1 3 399.410 3.898 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736668431 598745848 /nfs/dbraw/zinc/74/58/48/598745848.db2.gz YZVOUHSNFPLNFL-UELRPHRMSA-N -1 3 379.489 3.869 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736668431 598745850 /nfs/dbraw/zinc/74/58/50/598745850.db2.gz YZVOUHSNFPLNFL-UELRPHRMSA-N -1 3 379.489 3.869 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Oc2ccncc2)c1 ZINC000737803186 598753992 /nfs/dbraw/zinc/75/39/92/598753992.db2.gz RUFOQEVWNDXZSZ-CMDGGOBGSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(Oc2ccncc2)c1 ZINC000737803186 598753994 /nfs/dbraw/zinc/75/39/94/598753994.db2.gz RUFOQEVWNDXZSZ-CMDGGOBGSA-N -1 3 384.399 3.706 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000737291736 598782577 /nfs/dbraw/zinc/78/25/77/598782577.db2.gz OGLUSAHVMPLNBO-INIZCTEOSA-N -1 3 391.460 3.543 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000737291736 598782579 /nfs/dbraw/zinc/78/25/79/598782579.db2.gz OGLUSAHVMPLNBO-INIZCTEOSA-N -1 3 391.460 3.543 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113309 598797765 /nfs/dbraw/zinc/79/77/65/598797765.db2.gz NAVZQPBKIPEWHC-KPZWWZAWSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113309 598797766 /nfs/dbraw/zinc/79/77/66/598797766.db2.gz NAVZQPBKIPEWHC-KPZWWZAWSA-N -1 3 398.417 3.753 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820174256 607367032 /nfs/dbraw/zinc/36/70/32/607367032.db2.gz PPVOCHOSULPSHE-CYBMUJFWSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820174256 607367034 /nfs/dbraw/zinc/36/70/34/607367034.db2.gz PPVOCHOSULPSHE-CYBMUJFWSA-N -1 3 382.493 3.702 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000736820974 598800537 /nfs/dbraw/zinc/80/05/37/598800537.db2.gz SJNASMVBQLFEAH-IBGZPJMESA-N -1 3 394.454 3.689 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000736820974 598800539 /nfs/dbraw/zinc/80/05/39/598800539.db2.gz SJNASMVBQLFEAH-IBGZPJMESA-N -1 3 394.454 3.689 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](CC)OC1CCCC1 ZINC000736628652 598802862 /nfs/dbraw/zinc/80/28/62/598802862.db2.gz SISBXMJGDXHPRZ-CQSZACIVSA-N -1 3 394.859 3.562 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](CC)OC1CCCC1 ZINC000736628652 598802865 /nfs/dbraw/zinc/80/28/65/598802865.db2.gz SISBXMJGDXHPRZ-CQSZACIVSA-N -1 3 394.859 3.562 20 0 GHADHM C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820667832 599296443 /nfs/dbraw/zinc/29/64/43/599296443.db2.gz OEODOGXGMMWXFT-VXGBXAGGSA-N -1 3 382.399 3.576 20 0 GHADHM C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820667832 599296446 /nfs/dbraw/zinc/29/64/46/599296446.db2.gz OEODOGXGMMWXFT-VXGBXAGGSA-N -1 3 382.399 3.576 20 0 GHADHM CCc1csc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000821499436 599297548 /nfs/dbraw/zinc/29/75/48/599297548.db2.gz JZKMSCPDAWRXFK-UHFFFAOYSA-N -1 3 385.497 3.576 20 0 GHADHM CCc1csc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000821499436 599297550 /nfs/dbraw/zinc/29/75/50/599297550.db2.gz JZKMSCPDAWRXFK-UHFFFAOYSA-N -1 3 385.497 3.576 20 0 GHADHM CC(C)[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820017372 599299038 /nfs/dbraw/zinc/29/90/38/599299038.db2.gz VLNGNWCEMIWEKA-GFCCVEGCSA-N -1 3 384.415 3.964 20 0 GHADHM CC(C)[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820017372 599299042 /nfs/dbraw/zinc/29/90/42/599299042.db2.gz VLNGNWCEMIWEKA-GFCCVEGCSA-N -1 3 384.415 3.964 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736305575 599301650 /nfs/dbraw/zinc/30/16/50/599301650.db2.gz XSVDVSCNKKXINH-KGLIPLIRSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736305575 599301653 /nfs/dbraw/zinc/30/16/53/599301653.db2.gz XSVDVSCNKKXINH-KGLIPLIRSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736183946 599308061 /nfs/dbraw/zinc/30/80/61/599308061.db2.gz UVKKXEFSRIOBAD-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736183946 599308064 /nfs/dbraw/zinc/30/80/64/599308064.db2.gz UVKKXEFSRIOBAD-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737464668 599308354 /nfs/dbraw/zinc/30/83/54/599308354.db2.gz UDDXHXLYBXPNCY-UHFFFAOYSA-N -1 3 382.474 3.637 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737464668 599308357 /nfs/dbraw/zinc/30/83/57/599308357.db2.gz UDDXHXLYBXPNCY-UHFFFAOYSA-N -1 3 382.474 3.637 20 0 GHADHM CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742952 599308455 /nfs/dbraw/zinc/30/84/55/599308455.db2.gz VIMDYBMWSNORKA-UHFFFAOYSA-N -1 3 379.367 3.755 20 0 GHADHM CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742952 599308458 /nfs/dbraw/zinc/30/84/58/599308458.db2.gz VIMDYBMWSNORKA-UHFFFAOYSA-N -1 3 379.367 3.755 20 0 GHADHM CCN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502651 599313631 /nfs/dbraw/zinc/31/36/31/599313631.db2.gz PIFDPEKBCIZKHQ-VAWYXSNFSA-N -1 3 376.445 3.543 20 0 GHADHM CCN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502651 599313633 /nfs/dbraw/zinc/31/36/33/599313633.db2.gz PIFDPEKBCIZKHQ-VAWYXSNFSA-N -1 3 376.445 3.543 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691754 599318026 /nfs/dbraw/zinc/31/80/26/599318026.db2.gz ZAXBRIFCGZGFOD-WMLDXEAASA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691754 599318028 /nfs/dbraw/zinc/31/80/28/599318028.db2.gz ZAXBRIFCGZGFOD-WMLDXEAASA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000736190537 599328814 /nfs/dbraw/zinc/32/88/14/599328814.db2.gz TYQPHFMCJREBDU-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000736190537 599328816 /nfs/dbraw/zinc/32/88/16/599328816.db2.gz TYQPHFMCJREBDU-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735496181 599329257 /nfs/dbraw/zinc/32/92/57/599329257.db2.gz XJCLREQQKROTCE-ZIAGYGMSSA-N -1 3 395.488 3.891 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735496181 599329259 /nfs/dbraw/zinc/32/92/59/599329259.db2.gz XJCLREQQKROTCE-ZIAGYGMSSA-N -1 3 395.488 3.891 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737140832 599329861 /nfs/dbraw/zinc/32/98/61/599329861.db2.gz GBGMGIAICGKGAX-ZIAGYGMSSA-N -1 3 397.504 3.547 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737140832 599329864 /nfs/dbraw/zinc/32/98/64/599329864.db2.gz GBGMGIAICGKGAX-ZIAGYGMSSA-N -1 3 397.504 3.547 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343415 599329878 /nfs/dbraw/zinc/32/98/78/599329878.db2.gz XFUUGEBTBKIWSU-GJZGRUSLSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343415 599329880 /nfs/dbraw/zinc/32/98/80/599329880.db2.gz XFUUGEBTBKIWSU-GJZGRUSLSA-N -1 3 381.505 3.674 20 0 GHADHM C[C@@H](SCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188171 599330212 /nfs/dbraw/zinc/33/02/12/599330212.db2.gz IIXQPLBHLZPCAB-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188171 599330215 /nfs/dbraw/zinc/33/02/15/599330215.db2.gz IIXQPLBHLZPCAB-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192337 599331192 /nfs/dbraw/zinc/33/11/92/599331192.db2.gz YGTFJVXZHJMNHV-BUBBNXEVSA-N -1 3 397.548 3.746 20 0 GHADHM C[C@@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192337 599331196 /nfs/dbraw/zinc/33/11/96/599331196.db2.gz YGTFJVXZHJMNHV-BUBBNXEVSA-N -1 3 397.548 3.746 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821899336 599343003 /nfs/dbraw/zinc/34/30/03/599343003.db2.gz XMRYMPJGSNKAAO-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821899336 599343006 /nfs/dbraw/zinc/34/30/06/599343006.db2.gz XMRYMPJGSNKAAO-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)nc2)cc1 ZINC000822254283 599355943 /nfs/dbraw/zinc/35/59/43/599355943.db2.gz GEQLCRFSCQNBDC-OAHLLOKOSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)nc2)cc1 ZINC000822254283 599355947 /nfs/dbraw/zinc/35/59/47/599355947.db2.gz GEQLCRFSCQNBDC-OAHLLOKOSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)nc2)cc1 ZINC000822254280 599356047 /nfs/dbraw/zinc/35/60/47/599356047.db2.gz GEQLCRFSCQNBDC-HNNXBMFYSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)nc2)cc1 ZINC000822254280 599356048 /nfs/dbraw/zinc/35/60/48/599356048.db2.gz GEQLCRFSCQNBDC-HNNXBMFYSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737503285 599397387 /nfs/dbraw/zinc/39/73/87/599397387.db2.gz GTZKVOOMAMFPSY-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737503285 599397388 /nfs/dbraw/zinc/39/73/88/599397388.db2.gz GTZKVOOMAMFPSY-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820667067 599411444 /nfs/dbraw/zinc/41/14/44/599411444.db2.gz KVEOUGBQYWSGGU-UUWFMWQGSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820667067 599411450 /nfs/dbraw/zinc/41/14/50/599411450.db2.gz KVEOUGBQYWSGGU-UUWFMWQGSA-N -1 3 396.882 3.717 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000737309262 599414649 /nfs/dbraw/zinc/41/46/49/599414649.db2.gz RYLWJZHHBPPQKY-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000737309262 599414651 /nfs/dbraw/zinc/41/46/51/599414651.db2.gz RYLWJZHHBPPQKY-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM CCCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCc2ccccc21 ZINC000821083430 599463414 /nfs/dbraw/zinc/46/34/14/599463414.db2.gz YXHTYBLVMDLDQC-LJQANCHMSA-N -1 3 394.454 3.615 20 0 GHADHM CCCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCc2ccccc21 ZINC000821083430 599463415 /nfs/dbraw/zinc/46/34/15/599463415.db2.gz YXHTYBLVMDLDQC-LJQANCHMSA-N -1 3 394.454 3.615 20 0 GHADHM CCc1ccc([C@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C(C)C)cc1 ZINC000821480195 599463480 /nfs/dbraw/zinc/46/34/80/599463480.db2.gz AARQCBYKLXMXDT-LJQANCHMSA-N -1 3 396.470 3.765 20 0 GHADHM CCc1ccc([C@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C(C)C)cc1 ZINC000821480195 599463481 /nfs/dbraw/zinc/46/34/81/599463481.db2.gz AARQCBYKLXMXDT-LJQANCHMSA-N -1 3 396.470 3.765 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N(Cc1ccccc1)CC1CCC1 ZINC000823234828 599464477 /nfs/dbraw/zinc/46/44/77/599464477.db2.gz OVJDESSVBJHZOW-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N(Cc1ccccc1)CC1CCC1 ZINC000823234828 599464478 /nfs/dbraw/zinc/46/44/78/599464478.db2.gz OVJDESSVBJHZOW-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736122852 599464946 /nfs/dbraw/zinc/46/49/46/599464946.db2.gz MKHYFXRMWMRPNU-GFCCVEGCSA-N -1 3 392.444 3.607 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736122852 599464948 /nfs/dbraw/zinc/46/49/48/599464948.db2.gz MKHYFXRMWMRPNU-GFCCVEGCSA-N -1 3 392.444 3.607 20 0 GHADHM CCC(CC)(CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820887663 599468692 /nfs/dbraw/zinc/46/86/92/599468692.db2.gz LDGHFUXZBZAZEO-MRXNPFEDSA-N -1 3 392.507 3.985 20 0 GHADHM CCC(CC)(CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820887663 599468694 /nfs/dbraw/zinc/46/86/94/599468694.db2.gz LDGHFUXZBZAZEO-MRXNPFEDSA-N -1 3 392.507 3.985 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192496 599470309 /nfs/dbraw/zinc/47/03/09/599470309.db2.gz QHCZIEIKHWACRP-OAHLLOKOSA-N -1 3 378.480 3.893 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192496 599470311 /nfs/dbraw/zinc/47/03/11/599470311.db2.gz QHCZIEIKHWACRP-OAHLLOKOSA-N -1 3 378.480 3.893 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341263 599473077 /nfs/dbraw/zinc/47/30/77/599473077.db2.gz PEZOHTDWPRRSLH-NEPJUHHUSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341263 599473078 /nfs/dbraw/zinc/47/30/78/599473078.db2.gz PEZOHTDWPRRSLH-NEPJUHHUSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820340638 599477888 /nfs/dbraw/zinc/47/78/88/599477888.db2.gz MOLWMMXNDFDHNU-OAHLLOKOSA-N -1 3 386.459 3.923 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820340638 599477890 /nfs/dbraw/zinc/47/78/90/599477890.db2.gz MOLWMMXNDFDHNU-OAHLLOKOSA-N -1 3 386.459 3.923 20 0 GHADHM C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340961 599482146 /nfs/dbraw/zinc/48/21/46/599482146.db2.gz OAZYEGSCMASTPG-KSSFIOAISA-N -1 3 376.464 3.720 20 0 GHADHM C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340961 599482148 /nfs/dbraw/zinc/48/21/48/599482148.db2.gz OAZYEGSCMASTPG-KSSFIOAISA-N -1 3 376.464 3.720 20 0 GHADHM C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340959 599482387 /nfs/dbraw/zinc/48/23/87/599482387.db2.gz OAZYEGSCMASTPG-KBXCAEBGSA-N -1 3 376.464 3.720 20 0 GHADHM C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340959 599482389 /nfs/dbraw/zinc/48/23/89/599482389.db2.gz OAZYEGSCMASTPG-KBXCAEBGSA-N -1 3 376.464 3.720 20 0 GHADHM COc1ccc(OC2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000821842623 599482729 /nfs/dbraw/zinc/48/27/29/599482729.db2.gz UNRQEASLUGTLCZ-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM COc1ccc(OC2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000821842623 599482731 /nfs/dbraw/zinc/48/27/31/599482731.db2.gz UNRQEASLUGTLCZ-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N[C@H]1CC=CCC1 ZINC000738172403 599503078 /nfs/dbraw/zinc/50/30/78/599503078.db2.gz LAMHVUDKGLNDGL-HNNXBMFYSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N[C@H]1CC=CCC1 ZINC000738172403 599503081 /nfs/dbraw/zinc/50/30/81/599503081.db2.gz LAMHVUDKGLNDGL-HNNXBMFYSA-N -1 3 376.420 3.889 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736233936 599503955 /nfs/dbraw/zinc/50/39/55/599503955.db2.gz HEXKOYGWQNNDQY-YPMHNXCESA-N -1 3 384.390 3.555 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736233936 599503957 /nfs/dbraw/zinc/50/39/57/599503957.db2.gz HEXKOYGWQNNDQY-YPMHNXCESA-N -1 3 384.390 3.555 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821062185 599505461 /nfs/dbraw/zinc/50/54/61/599505461.db2.gz VMDIDEPSIIGKPF-HNNXBMFYSA-N -1 3 379.464 3.927 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821062185 599505464 /nfs/dbraw/zinc/50/54/64/599505464.db2.gz VMDIDEPSIIGKPF-HNNXBMFYSA-N -1 3 379.464 3.927 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536816 599509616 /nfs/dbraw/zinc/50/96/16/599509616.db2.gz XTDRWJBPUWQETH-HUUCEWRRSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536816 599509617 /nfs/dbraw/zinc/50/96/17/599509617.db2.gz XTDRWJBPUWQETH-HUUCEWRRSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314012 599518251 /nfs/dbraw/zinc/51/82/51/599518251.db2.gz GTCSQSJEFKUFRG-YWZLYKJASA-N -1 3 391.475 3.744 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314012 599518254 /nfs/dbraw/zinc/51/82/54/599518254.db2.gz GTCSQSJEFKUFRG-YWZLYKJASA-N -1 3 391.475 3.744 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCOc2ccccc21 ZINC000737626015 599525431 /nfs/dbraw/zinc/52/54/31/599525431.db2.gz FWGSFSZCBJPUNK-LBPRGKRZSA-N -1 3 375.354 3.864 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000822585909 599527357 /nfs/dbraw/zinc/52/73/57/599527357.db2.gz OJJXGVHFNAOGTG-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000822585909 599527358 /nfs/dbraw/zinc/52/73/58/599527358.db2.gz OJJXGVHFNAOGTG-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000822299685 599529710 /nfs/dbraw/zinc/52/97/10/599529710.db2.gz RFBJIJHSPVZBOO-MRXNPFEDSA-N -1 3 375.476 3.864 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000822299685 599529712 /nfs/dbraw/zinc/52/97/12/599529712.db2.gz RFBJIJHSPVZBOO-MRXNPFEDSA-N -1 3 375.476 3.864 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000738267823 599534255 /nfs/dbraw/zinc/53/42/55/599534255.db2.gz POWKYZQNNXWUMP-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000738267823 599534258 /nfs/dbraw/zinc/53/42/58/599534258.db2.gz POWKYZQNNXWUMP-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240915 599540660 /nfs/dbraw/zinc/54/06/60/599540660.db2.gz DOBUGALCDGLKTQ-OAHLLOKOSA-N -1 3 378.480 3.511 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240915 599540662 /nfs/dbraw/zinc/54/06/62/599540662.db2.gz DOBUGALCDGLKTQ-OAHLLOKOSA-N -1 3 378.480 3.511 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccsc1 ZINC000735570920 599541323 /nfs/dbraw/zinc/54/13/23/599541323.db2.gz PTLZKVQQTKNTHA-NSHDSACASA-N -1 3 396.501 3.718 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccsc1 ZINC000735570920 599541325 /nfs/dbraw/zinc/54/13/25/599541325.db2.gz PTLZKVQQTKNTHA-NSHDSACASA-N -1 3 396.501 3.718 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507140 599542048 /nfs/dbraw/zinc/54/20/48/599542048.db2.gz ATAUQXAZBGGDLE-CQSZACIVSA-N -1 3 388.431 3.745 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507140 599542050 /nfs/dbraw/zinc/54/20/50/599542050.db2.gz ATAUQXAZBGGDLE-CQSZACIVSA-N -1 3 388.431 3.745 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422634 599549121 /nfs/dbraw/zinc/54/91/21/599549121.db2.gz QQLDDQLVKCYLIF-VQIMIIECSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422634 599549123 /nfs/dbraw/zinc/54/91/23/599549123.db2.gz QQLDDQLVKCYLIF-VQIMIIECSA-N -1 3 375.476 3.512 20 0 GHADHM C[C@@H](CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)Sc1ccccc1 ZINC000820269264 599554214 /nfs/dbraw/zinc/55/42/14/599554214.db2.gz IKRXCLNTKXLMDV-ZDUSSCGKSA-N -1 3 399.524 3.726 20 0 GHADHM C[C@@H](CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)Sc1ccccc1 ZINC000820269264 599554217 /nfs/dbraw/zinc/55/42/17/599554217.db2.gz IKRXCLNTKXLMDV-ZDUSSCGKSA-N -1 3 399.524 3.726 20 0 GHADHM O=C(Nc1cccnc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823372815 599556366 /nfs/dbraw/zinc/55/63/66/599556366.db2.gz LDQQAKGFRKREST-UHFFFAOYSA-N -1 3 391.366 3.837 20 0 GHADHM O=C(Nc1cccnc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823372815 599556368 /nfs/dbraw/zinc/55/63/68/599556368.db2.gz LDQQAKGFRKREST-UHFFFAOYSA-N -1 3 391.366 3.837 20 0 GHADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823031424 599558245 /nfs/dbraw/zinc/55/82/45/599558245.db2.gz ANJRDIQALWPGSI-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823031424 599558248 /nfs/dbraw/zinc/55/82/48/599558248.db2.gz ANJRDIQALWPGSI-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328142 599560265 /nfs/dbraw/zinc/56/02/65/599560265.db2.gz CSXCFLIHLKQPHT-YJBOKZPZSA-N -1 3 395.463 3.679 20 0 GHADHM Fc1ccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000822779247 599560228 /nfs/dbraw/zinc/56/02/28/599560228.db2.gz SCVBULXQNGBVGX-ZDUSSCGKSA-N -1 3 392.360 3.715 20 0 GHADHM Fc1ccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000822779247 599560231 /nfs/dbraw/zinc/56/02/31/599560231.db2.gz SCVBULXQNGBVGX-ZDUSSCGKSA-N -1 3 392.360 3.715 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736223933 599561827 /nfs/dbraw/zinc/56/18/27/599561827.db2.gz KBFAXSLFSRCEHM-GJZGRUSLSA-N -1 3 376.464 3.728 20 0 GHADHM COc1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737105390 599562911 /nfs/dbraw/zinc/56/29/11/599562911.db2.gz YZILOOODELXCNW-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821890729 599566899 /nfs/dbraw/zinc/56/68/99/599566899.db2.gz OYHHBOXVTKSRSE-HNNXBMFYSA-N -1 3 386.459 3.726 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821890729 599566901 /nfs/dbraw/zinc/56/69/01/599566901.db2.gz OYHHBOXVTKSRSE-HNNXBMFYSA-N -1 3 386.459 3.726 20 0 GHADHM CSCC[C@H](C)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737177098 599569814 /nfs/dbraw/zinc/56/98/14/599569814.db2.gz RGBOJYXQQWLELA-AWEZNQCLSA-N -1 3 396.520 3.824 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000738285356 599575117 /nfs/dbraw/zinc/57/51/17/599575117.db2.gz FSANGBONOTVSLF-WMZOPIPTSA-N -1 3 391.500 3.784 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000738285356 599575119 /nfs/dbraw/zinc/57/51/19/599575119.db2.gz FSANGBONOTVSLF-WMZOPIPTSA-N -1 3 391.500 3.784 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC(c1cccs1)c1cccs1 ZINC000738150824 599600739 /nfs/dbraw/zinc/60/07/39/599600739.db2.gz IIFCTORRJJTMLB-UHFFFAOYSA-N -1 3 382.474 3.901 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC(c1cccs1)c1cccs1 ZINC000738150824 599600741 /nfs/dbraw/zinc/60/07/41/599600741.db2.gz IIFCTORRJJTMLB-UHFFFAOYSA-N -1 3 382.474 3.901 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736395148 599609852 /nfs/dbraw/zinc/60/98/52/599609852.db2.gz GYPJYMMUZMWXSV-KRWDZBQOSA-N -1 3 395.467 3.664 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736395148 599609854 /nfs/dbraw/zinc/60/98/54/599609854.db2.gz GYPJYMMUZMWXSV-KRWDZBQOSA-N -1 3 395.467 3.664 20 0 GHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736331464 599611523 /nfs/dbraw/zinc/61/15/23/599611523.db2.gz PENIPWBOGMHFPM-SMDDNHRTSA-N -1 3 394.426 3.901 20 0 GHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736331464 599611525 /nfs/dbraw/zinc/61/15/25/599611525.db2.gz PENIPWBOGMHFPM-SMDDNHRTSA-N -1 3 394.426 3.901 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821390296 599620860 /nfs/dbraw/zinc/62/08/60/599620860.db2.gz XJEVZOZJCBYTMO-CYBMUJFWSA-N -1 3 384.411 3.579 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821390296 599620861 /nfs/dbraw/zinc/62/08/61/599620861.db2.gz XJEVZOZJCBYTMO-CYBMUJFWSA-N -1 3 384.411 3.579 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sc(C2CCCC2)nc1C ZINC000821394139 599620905 /nfs/dbraw/zinc/62/09/05/599620905.db2.gz HTLVENMZBBSRJN-UHFFFAOYSA-N -1 3 399.476 3.907 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sc(C2CCCC2)nc1C ZINC000821394139 599620906 /nfs/dbraw/zinc/62/09/06/599620906.db2.gz HTLVENMZBBSRJN-UHFFFAOYSA-N -1 3 399.476 3.907 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCc1ccc(C(F)(F)F)cc1 ZINC000822978158 599625805 /nfs/dbraw/zinc/62/58/05/599625805.db2.gz DLTMYAFNXMBIMV-UHFFFAOYSA-N -1 3 390.365 3.604 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCc1ccc(C(F)(F)F)cc1 ZINC000822978158 599625806 /nfs/dbraw/zinc/62/58/06/599625806.db2.gz DLTMYAFNXMBIMV-UHFFFAOYSA-N -1 3 390.365 3.604 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822232790 599628646 /nfs/dbraw/zinc/62/86/46/599628646.db2.gz AZKWLHCPJCIOQS-WBVHZDCISA-N -1 3 397.504 3.960 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822232790 599628647 /nfs/dbraw/zinc/62/86/47/599628647.db2.gz AZKWLHCPJCIOQS-WBVHZDCISA-N -1 3 397.504 3.960 20 0 GHADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC000822227722 599629596 /nfs/dbraw/zinc/62/95/96/599629596.db2.gz TWRREDBDLHGXLC-AWEZNQCLSA-N -1 3 377.404 3.698 20 0 GHADHM Cc1ccc([C@H](C)C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC000822227722 599629597 /nfs/dbraw/zinc/62/95/97/599629597.db2.gz TWRREDBDLHGXLC-AWEZNQCLSA-N -1 3 377.404 3.698 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)C(F)(F)F ZINC000819877019 599630200 /nfs/dbraw/zinc/63/02/00/599630200.db2.gz NDMXZRSALMYILA-QMMMGPOBSA-N -1 3 393.394 3.831 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)C(F)(F)F ZINC000819877019 599630201 /nfs/dbraw/zinc/63/02/01/599630201.db2.gz NDMXZRSALMYILA-QMMMGPOBSA-N -1 3 393.394 3.831 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)s1 ZINC000821466785 599630390 /nfs/dbraw/zinc/63/03/90/599630390.db2.gz ZOHDRNNWLCOGHO-XUJVJEKNSA-N -1 3 377.514 3.803 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)s1 ZINC000821466785 599630391 /nfs/dbraw/zinc/63/03/91/599630391.db2.gz ZOHDRNNWLCOGHO-XUJVJEKNSA-N -1 3 377.514 3.803 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819866350 599632439 /nfs/dbraw/zinc/63/24/39/599632439.db2.gz LMHZRYYYXRWNHK-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819866350 599632440 /nfs/dbraw/zinc/63/24/40/599632440.db2.gz LMHZRYYYXRWNHK-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnc2ccsc2c1 ZINC000823303075 599634138 /nfs/dbraw/zinc/63/41/38/599634138.db2.gz CYFVWCKHKLKDBV-UHFFFAOYSA-N -1 3 390.350 3.748 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnc2ccsc2c1 ZINC000823303075 599634139 /nfs/dbraw/zinc/63/41/39/599634139.db2.gz CYFVWCKHKLKDBV-UHFFFAOYSA-N -1 3 390.350 3.748 20 0 GHADHM CC(C)c1ccc([C@@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000820192430 599635229 /nfs/dbraw/zinc/63/52/29/599635229.db2.gz NPZXTUVWHJANOG-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc([C@@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000820192430 599635230 /nfs/dbraw/zinc/63/52/30/599635230.db2.gz NPZXTUVWHJANOG-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000820488926 599651932 /nfs/dbraw/zinc/65/19/32/599651932.db2.gz WZPVFYHCEIWCFN-LLNWESEBSA-N -1 3 390.443 3.818 20 0 GHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000820488926 599651933 /nfs/dbraw/zinc/65/19/33/599651933.db2.gz WZPVFYHCEIWCFN-LLNWESEBSA-N -1 3 390.443 3.818 20 0 GHADHM CCCCC[C@@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821048925 599668340 /nfs/dbraw/zinc/66/83/40/599668340.db2.gz GKQOASSAULYXMS-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821048925 599668341 /nfs/dbraw/zinc/66/83/41/599668341.db2.gz GKQOASSAULYXMS-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CC(C)[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000820016650 599669482 /nfs/dbraw/zinc/66/94/82/599669482.db2.gz NOVQQCAVRFRYQJ-GOSISDBHSA-N -1 3 375.432 3.602 20 0 GHADHM CC(C)[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000820016650 599669483 /nfs/dbraw/zinc/66/94/83/599669483.db2.gz NOVQQCAVRFRYQJ-GOSISDBHSA-N -1 3 375.432 3.602 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822431787 599670785 /nfs/dbraw/zinc/67/07/85/599670785.db2.gz JRYVUTDPIITPAU-UHFFFAOYSA-N -1 3 399.476 3.525 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822431787 599670786 /nfs/dbraw/zinc/67/07/86/599670786.db2.gz JRYVUTDPIITPAU-UHFFFAOYSA-N -1 3 399.476 3.525 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349329 599681147 /nfs/dbraw/zinc/68/11/47/599681147.db2.gz HKPPJFVENDQBDS-RHSMWYFYSA-N -1 3 380.452 3.848 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349329 599681148 /nfs/dbraw/zinc/68/11/48/599681148.db2.gz HKPPJFVENDQBDS-RHSMWYFYSA-N -1 3 380.452 3.848 20 0 GHADHM O=C(OC[C@H]1CCCS1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823400406 599685152 /nfs/dbraw/zinc/68/51/52/599685152.db2.gz COTVATXTZJPPSY-QGZVFWFLSA-N -1 3 382.445 3.711 20 0 GHADHM O=C(OC[C@H]1CCCS1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823400406 599685153 /nfs/dbraw/zinc/68/51/53/599685153.db2.gz COTVATXTZJPPSY-QGZVFWFLSA-N -1 3 382.445 3.711 20 0 GHADHM C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820549342 599689566 /nfs/dbraw/zinc/68/95/66/599689566.db2.gz MIZJEYJQYSPPGG-VIFPVBQESA-N -1 3 385.840 3.818 20 0 GHADHM C[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820549342 599689567 /nfs/dbraw/zinc/68/95/67/599689567.db2.gz MIZJEYJQYSPPGG-VIFPVBQESA-N -1 3 385.840 3.818 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1 ZINC000819865391 599697721 /nfs/dbraw/zinc/69/77/21/599697721.db2.gz DSYKBAPXWCKKAP-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821050711 599699886 /nfs/dbraw/zinc/69/98/86/599699886.db2.gz SYMBIBAFPXMCBD-QGZVFWFLSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821050711 599699887 /nfs/dbraw/zinc/69/98/87/599699887.db2.gz SYMBIBAFPXMCBD-QGZVFWFLSA-N -1 3 395.463 3.929 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cnn1-c1cc(C)ccc1C ZINC000822230988 607393546 /nfs/dbraw/zinc/39/35/46/607393546.db2.gz XBIGKOQVCZWGDO-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cnn1-c1cc(C)ccc1C ZINC000822230988 607393548 /nfs/dbraw/zinc/39/35/48/607393548.db2.gz XBIGKOQVCZWGDO-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822225342 607399907 /nfs/dbraw/zinc/39/99/07/607399907.db2.gz ZJRSSUGQYTXINT-UHFFFAOYSA-N -1 3 399.476 3.625 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822225342 607399908 /nfs/dbraw/zinc/39/99/08/607399908.db2.gz ZJRSSUGQYTXINT-UHFFFAOYSA-N -1 3 399.476 3.625 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000826252442 607400086 /nfs/dbraw/zinc/40/00/86/607400086.db2.gz CXBUQNVOEIODAR-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000826252442 607400088 /nfs/dbraw/zinc/40/00/88/607400088.db2.gz CXBUQNVOEIODAR-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1oc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C(=O)[O-] ZINC000522008402 599851737 /nfs/dbraw/zinc/85/17/37/599851737.db2.gz QEGXZRNYLYWFRC-CQSZACIVSA-N -1 3 385.395 3.855 20 0 GHADHM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000739628298 599867245 /nfs/dbraw/zinc/86/72/45/599867245.db2.gz ZCNBMHIBGFUJLX-RXWSAZGZSA-N -1 3 399.516 3.586 20 0 GHADHM Cc1cccc2c(CCC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c[nH]c21 ZINC000826253442 607411561 /nfs/dbraw/zinc/41/15/61/607411561.db2.gz QLPLBWMCQXYDQM-UHFFFAOYSA-N -1 3 375.432 3.641 20 0 GHADHM Cc1cccc2c(CCC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c[nH]c21 ZINC000826253442 607411563 /nfs/dbraw/zinc/41/15/63/607411563.db2.gz QLPLBWMCQXYDQM-UHFFFAOYSA-N -1 3 375.432 3.641 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738709030 600010684 /nfs/dbraw/zinc/01/06/84/600010684.db2.gz PATNSPQEWPTAKX-UHFFFAOYSA-N -1 3 388.443 3.820 20 0 GHADHM COc1ccc([C@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C(C)C)cc1 ZINC000737972745 600048510 /nfs/dbraw/zinc/04/85/10/600048510.db2.gz NZTLWBFLEWTRRE-GOSISDBHSA-N -1 3 390.505 3.997 20 0 GHADHM CCN(c1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1)C(C)C ZINC000825443396 607418764 /nfs/dbraw/zinc/41/87/64/607418764.db2.gz BTQIJAALSUEATI-UHFFFAOYSA-N -1 3 390.491 3.521 20 0 GHADHM CCN(c1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1)C(C)C ZINC000825443396 607418766 /nfs/dbraw/zinc/41/87/66/607418766.db2.gz BTQIJAALSUEATI-UHFFFAOYSA-N -1 3 390.491 3.521 20 0 GHADHM CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825560946 607428230 /nfs/dbraw/zinc/42/82/30/607428230.db2.gz XYSSQJIASNKTGI-UHFFFAOYSA-N -1 3 397.460 3.543 20 0 GHADHM CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825560946 607428231 /nfs/dbraw/zinc/42/82/31/607428231.db2.gz XYSSQJIASNKTGI-UHFFFAOYSA-N -1 3 397.460 3.543 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000826249743 607431207 /nfs/dbraw/zinc/43/12/07/607431207.db2.gz SAUSWBURZJVDLC-UHFFFAOYSA-N -1 3 395.426 3.742 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000826249743 607431208 /nfs/dbraw/zinc/43/12/08/607431208.db2.gz SAUSWBURZJVDLC-UHFFFAOYSA-N -1 3 395.426 3.742 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NCc2coc3ccccc23)cc1-c1nnn[n-]1 ZINC000820170118 607431246 /nfs/dbraw/zinc/43/12/46/607431246.db2.gz QWRPXEHWHFLRLI-UHFFFAOYSA-N -1 3 392.419 3.722 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NCc2coc3ccccc23)cc1-c1nn[n-]n1 ZINC000820170118 607431247 /nfs/dbraw/zinc/43/12/47/607431247.db2.gz QWRPXEHWHFLRLI-UHFFFAOYSA-N -1 3 392.419 3.722 20 0 GHADHM CC[C@](NCc1cccc(C(=O)NCc2ccco2)c1)(C(=O)[O-])c1ccccc1 ZINC000736920154 600305010 /nfs/dbraw/zinc/30/50/10/600305010.db2.gz ILUMRVDYECIEDI-HSZRJFAPSA-N -1 3 392.455 3.689 20 0 GHADHM CC(C)N(CCCC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000736467865 600318140 /nfs/dbraw/zinc/31/81/40/600318140.db2.gz IBUSYHDNTSAYQV-UHFFFAOYSA-N -1 3 380.794 3.873 20 0 GHADHM CN(Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1)C(=O)[O-] ZINC000737482394 600341843 /nfs/dbraw/zinc/34/18/43/600341843.db2.gz LGARNXVXKNTRDI-HXUWFJFHSA-N -1 3 396.491 3.755 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)N(C)C)cc1 ZINC000738559473 600343620 /nfs/dbraw/zinc/34/36/20/600343620.db2.gz ILBDOGLHRWNOEH-IBGZPJMESA-N -1 3 384.480 3.529 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826191306 607439037 /nfs/dbraw/zinc/43/90/37/607439037.db2.gz CGZAXIYVKYIWBC-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191306 607439038 /nfs/dbraw/zinc/43/90/38/607439038.db2.gz CGZAXIYVKYIWBC-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000739516182 600402273 /nfs/dbraw/zinc/40/22/73/600402273.db2.gz LCLMEQFJDGUGTM-HXUWFJFHSA-N -1 3 398.890 3.767 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000739498580 600420073 /nfs/dbraw/zinc/42/00/73/600420073.db2.gz AZHNPFYOCCZDPU-IBGZPJMESA-N -1 3 386.879 3.882 20 0 GHADHM C[C@@H](CN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736576869 600545978 /nfs/dbraw/zinc/54/59/78/600545978.db2.gz OECZUTPVPWTITJ-AOMKIAJQSA-N -1 3 398.478 3.559 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000821110308 607461176 /nfs/dbraw/zinc/46/11/76/607461176.db2.gz ZPDSGCYJRXSCII-KRWDZBQOSA-N -1 3 386.818 3.636 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000821110308 607461178 /nfs/dbraw/zinc/46/11/78/607461178.db2.gz ZPDSGCYJRXSCII-KRWDZBQOSA-N -1 3 386.818 3.636 20 0 GHADHM Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)ccc1C(=O)[O-] ZINC000738437773 600745649 /nfs/dbraw/zinc/74/56/49/600745649.db2.gz PUGGAADRWIXRIN-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM CC(=O)Nc1cccc(OCCN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000825917562 600747797 /nfs/dbraw/zinc/74/77/97/600747797.db2.gz OQUCCHWIWXGWJG-QGZVFWFLSA-N -1 3 397.258 3.746 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820206664 607474467 /nfs/dbraw/zinc/47/44/67/607474467.db2.gz URLYUMIMAYBQDS-UHFFFAOYSA-N -1 3 391.454 3.986 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820206664 607474468 /nfs/dbraw/zinc/47/44/68/607474468.db2.gz URLYUMIMAYBQDS-UHFFFAOYSA-N -1 3 391.454 3.986 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000832916786 600997611 /nfs/dbraw/zinc/99/76/11/600997611.db2.gz PKCJPDHCLJXZPL-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM CN([C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000830656018 601000082 /nfs/dbraw/zinc/00/00/82/601000082.db2.gz SFPCSFZSUUORQS-SUMWQHHRSA-N -1 3 395.290 3.510 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828890838 601023681 /nfs/dbraw/zinc/02/36/81/601023681.db2.gz NONUMXXKSFNTNT-FQEVSTJZSA-N -1 3 383.492 3.654 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832931459 601024621 /nfs/dbraw/zinc/02/46/21/601024621.db2.gz YEMZCXROCKWQRL-NHCUHLMSSA-N -1 3 395.503 3.969 20 0 GHADHM CC(C)(C)c1csc([C@H]2CCCCN2Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824135267 607492197 /nfs/dbraw/zinc/49/21/97/607492197.db2.gz DBMVRNUMMPPQCL-OAHLLOKOSA-N -1 3 383.525 3.743 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832000339 601203128 /nfs/dbraw/zinc/20/31/28/601203128.db2.gz NXMABKDGYXDRIU-DJJJIMSYSA-N -1 3 390.867 3.647 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)ccc2n1 ZINC000822279622 607494975 /nfs/dbraw/zinc/49/49/75/607494975.db2.gz CWIMNPPTSMKDDE-UHFFFAOYSA-N -1 3 376.445 3.526 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)ccc2n1 ZINC000822279622 607494976 /nfs/dbraw/zinc/49/49/76/607494976.db2.gz CWIMNPPTSMKDDE-UHFFFAOYSA-N -1 3 376.445 3.526 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000820496166 607498317 /nfs/dbraw/zinc/49/83/17/607498317.db2.gz LWLMYDFJCXAWGH-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000820496166 607498318 /nfs/dbraw/zinc/49/83/18/607498318.db2.gz LWLMYDFJCXAWGH-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821400606 607500782 /nfs/dbraw/zinc/50/07/82/607500782.db2.gz MHHUMZUMRYAXQQ-AWEZNQCLSA-N -1 3 397.504 3.773 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821400606 607500784 /nfs/dbraw/zinc/50/07/84/607500784.db2.gz MHHUMZUMRYAXQQ-AWEZNQCLSA-N -1 3 397.504 3.773 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)ccc2n1 ZINC000822280376 607501018 /nfs/dbraw/zinc/50/10/18/607501018.db2.gz LPDSHKVVQFMPMS-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)ccc2n1 ZINC000822280376 607501020 /nfs/dbraw/zinc/50/10/20/607501020.db2.gz LPDSHKVVQFMPMS-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830717992 601398905 /nfs/dbraw/zinc/39/89/05/601398905.db2.gz JCBYJRNJDWTMRI-UWJYYQICSA-N -1 3 379.460 3.792 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000830369987 601415966 /nfs/dbraw/zinc/41/59/66/601415966.db2.gz XIURVKMKAUTJRA-INIZCTEOSA-N -1 3 399.491 3.882 20 0 GHADHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000831579068 601490735 /nfs/dbraw/zinc/49/07/35/601490735.db2.gz UNVASWPMSVUIQU-QGZVFWFLSA-N -1 3 382.254 3.679 20 0 GHADHM CCC1CCC(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)(C(=O)[O-])CC1 ZINC000829108282 601494406 /nfs/dbraw/zinc/49/44/06/601494406.db2.gz WZWZRURNXOJFGU-UHFFFAOYSA-N -1 3 397.397 3.867 20 0 GHADHM O=C([O-])[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)cc1Cl ZINC000833167705 601499180 /nfs/dbraw/zinc/49/91/80/601499180.db2.gz PBIROPSRNCTXIH-NHYWBVRUSA-N -1 3 384.238 3.522 20 0 GHADHM COc1ccc(NC(=O)[C@H](NCC(C)(C)C(=O)[O-])c2ccccc2)cc1Cl ZINC000832393945 601646413 /nfs/dbraw/zinc/64/64/13/601646413.db2.gz LESQHZXXBCPCBJ-QGZVFWFLSA-N -1 3 390.867 3.729 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000826044755 601651041 /nfs/dbraw/zinc/65/10/41/601651041.db2.gz KZLXBCBEPMTZKM-WZONZLPQSA-N -1 3 394.515 3.519 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000829170099 601657025 /nfs/dbraw/zinc/65/70/25/601657025.db2.gz KEMGMEUXACKLPT-WIBUTAKZSA-N -1 3 386.517 3.636 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1OCCc2ccccc21 ZINC000826468206 607530012 /nfs/dbraw/zinc/53/00/12/607530012.db2.gz FYSDVOLGSYYJGQ-NRFANRHFSA-N -1 3 398.422 3.753 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1OCCc2ccccc21 ZINC000826468206 607530013 /nfs/dbraw/zinc/53/00/13/607530013.db2.gz FYSDVOLGSYYJGQ-NRFANRHFSA-N -1 3 398.422 3.753 20 0 GHADHM O=C([O-])CSc1ccc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000833262735 601873726 /nfs/dbraw/zinc/87/37/26/601873726.db2.gz GMLAKUIJFLYEMC-QGZVFWFLSA-N -1 3 385.485 3.681 20 0 GHADHM O=C([O-])CC1(NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CCCCC1 ZINC000833206020 601877865 /nfs/dbraw/zinc/87/78/65/601877865.db2.gz VBZCIRPEKJHHOV-UHFFFAOYSA-N -1 3 383.370 3.621 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000833156090 602132214 /nfs/dbraw/zinc/13/22/14/602132214.db2.gz AEURFMXPCDSYKR-FQEVSTJZSA-N -1 3 378.403 3.994 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccc(Br)s2)o1 ZINC000828804118 602210686 /nfs/dbraw/zinc/21/06/86/602210686.db2.gz GFQXXEXOMJTDAV-UHFFFAOYSA-N -1 3 388.287 3.684 20 0 GHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000828672437 602219468 /nfs/dbraw/zinc/21/94/68/602219468.db2.gz SARYDMICUHEJJF-FQEVSTJZSA-N -1 3 389.521 3.674 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc2occc2[nH]1 ZINC000826457308 607571675 /nfs/dbraw/zinc/57/16/75/607571675.db2.gz VQQCXQFAQJHOBJ-UHFFFAOYSA-N -1 3 386.371 3.986 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000825957995 607572487 /nfs/dbraw/zinc/57/24/87/607572487.db2.gz LAOLIVGEJXOAIZ-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000825957995 607572490 /nfs/dbraw/zinc/57/24/90/607572490.db2.gz LAOLIVGEJXOAIZ-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825826140 607589080 /nfs/dbraw/zinc/58/90/80/607589080.db2.gz YOKGKQKPLKYGIL-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1cc(-c2ccccc2)ns1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825826140 607589081 /nfs/dbraw/zinc/58/90/81/607589081.db2.gz YOKGKQKPLKYGIL-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000829167487 603533497 /nfs/dbraw/zinc/53/34/97/603533497.db2.gz LVDWRWJIUVUBGG-UHFFFAOYSA-N -1 3 391.855 3.647 20 0 GHADHM O=C([O-])Nc1ccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)cn1 ZINC000832842114 603546072 /nfs/dbraw/zinc/54/60/72/603546072.db2.gz NSNFMABSYJOIKL-UHFFFAOYSA-N -1 3 387.443 3.859 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000826250747 607655317 /nfs/dbraw/zinc/65/53/17/607655317.db2.gz PXPFUDDPRKXOML-UHFFFAOYSA-N -1 3 376.464 3.808 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000826250747 607655319 /nfs/dbraw/zinc/65/53/19/607655319.db2.gz PXPFUDDPRKXOML-UHFFFAOYSA-N -1 3 376.464 3.808 20 0 GHADHM O=C(CSc1ncc(-c2ccc(F)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421419 607657346 /nfs/dbraw/zinc/65/73/46/607657346.db2.gz HHXFYZWDUACPFR-UHFFFAOYSA-N -1 3 381.392 3.636 20 0 GHADHM O=C(CSc1ncc(-c2ccc(F)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421419 607657348 /nfs/dbraw/zinc/65/73/48/607657348.db2.gz HHXFYZWDUACPFR-UHFFFAOYSA-N -1 3 381.392 3.636 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000825794287 603992889 /nfs/dbraw/zinc/99/28/89/603992889.db2.gz IQSWIQGEPPEYPK-XJKSGUPXSA-N -1 3 386.427 3.700 20 0 GHADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)s2)c(C)c1 ZINC000826273879 607672313 /nfs/dbraw/zinc/67/23/13/607672313.db2.gz YIDIHGVJSWCWQQ-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)s2)c(C)c1 ZINC000826273879 607672315 /nfs/dbraw/zinc/67/23/15/607672315.db2.gz YIDIHGVJSWCWQQ-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000825263471 604251905 /nfs/dbraw/zinc/25/19/05/604251905.db2.gz GTKWYHWEYGXDRS-VQIMIIECSA-N -1 3 381.476 3.807 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)n1 ZINC000826321142 607687338 /nfs/dbraw/zinc/68/73/38/607687338.db2.gz RWBTVGWASGDJQC-UHFFFAOYSA-N -1 3 391.460 3.936 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000826321142 607687340 /nfs/dbraw/zinc/68/73/40/607687340.db2.gz RWBTVGWASGDJQC-UHFFFAOYSA-N -1 3 391.460 3.936 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000829602701 604289973 /nfs/dbraw/zinc/28/99/73/604289973.db2.gz WATKBKFJICOPPF-YJBOKZPZSA-N -1 3 384.451 3.822 20 0 GHADHM O=C(CNc1cccc2ccsc21)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826414222 607687684 /nfs/dbraw/zinc/68/76/84/607687684.db2.gz LBCPTEFUVIMUEV-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM O=C(CNc1cccc2ccsc21)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826414222 607687685 /nfs/dbraw/zinc/68/76/85/607687685.db2.gz LBCPTEFUVIMUEV-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824293571 607702070 /nfs/dbraw/zinc/70/20/70/607702070.db2.gz RYYRLXTWYYJAHU-UHFFFAOYSA-N -1 3 379.251 3.552 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824293571 607702072 /nfs/dbraw/zinc/70/20/72/607702072.db2.gz RYYRLXTWYYJAHU-UHFFFAOYSA-N -1 3 379.251 3.552 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC2 ZINC000833772189 604648490 /nfs/dbraw/zinc/64/84/90/604648490.db2.gz ZOXXCRDVRXZAMN-IAGOWNOFSA-N -1 3 379.884 3.585 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1cccnc1)CC2 ZINC000833771712 604651256 /nfs/dbraw/zinc/65/12/56/604651256.db2.gz NSIQBWZVBCUSGJ-FQEVSTJZSA-N -1 3 388.471 3.621 20 0 GHADHM C[C@]1(NCc2nnc(-c3ccccc3Br)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568944 604815316 /nfs/dbraw/zinc/81/53/16/604815316.db2.gz JAIWLYDQTQCLMP-PXAZEXFGSA-N -1 3 394.269 3.622 20 0 GHADHM C[C@@H]1C[C@@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000833595449 604830264 /nfs/dbraw/zinc/83/02/64/604830264.db2.gz FOGDVKLQIGPINI-OCCSQVGLSA-N -1 3 379.913 3.984 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)cc1 ZINC000826211698 607724229 /nfs/dbraw/zinc/72/42/29/607724229.db2.gz PWVWVXZVUCVFBO-UHFFFAOYSA-N -1 3 392.444 3.607 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)cc1 ZINC000826211698 607724231 /nfs/dbraw/zinc/72/42/31/607724231.db2.gz PWVWVXZVUCVFBO-UHFFFAOYSA-N -1 3 392.444 3.607 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cccc(Br)c1OC(F)F)CC2 ZINC000516076289 605069032 /nfs/dbraw/zinc/06/90/32/605069032.db2.gz NXMHGONRLVSAMI-LLVKDONJSA-N -1 3 390.224 3.737 20 0 GHADHM COc1ccccc1N1CC[C@H](N[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833736603 605069330 /nfs/dbraw/zinc/06/93/30/605069330.db2.gz QODFFHYQFSIPJY-KPZWWZAWSA-N -1 3 395.286 3.996 20 0 GHADHM C[C@H](Oc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1)C(=O)[O-] ZINC000833541687 605094115 /nfs/dbraw/zinc/09/41/15/605094115.db2.gz SHGHPJRMBPEDBY-HNNXBMFYSA-N -1 3 389.879 3.987 20 0 GHADHM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000833651266 605108044 /nfs/dbraw/zinc/10/80/44/605108044.db2.gz IUTSWNITLZPRQU-CBNMVNINSA-N -1 3 386.536 3.781 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427147 607736178 /nfs/dbraw/zinc/73/61/78/607736178.db2.gz HDPZRVLRDLRMNX-OAQYLSRUSA-N -1 3 394.438 3.867 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427147 607736179 /nfs/dbraw/zinc/73/61/79/607736179.db2.gz HDPZRVLRDLRMNX-OAQYLSRUSA-N -1 3 394.438 3.867 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000833411891 605175124 /nfs/dbraw/zinc/17/51/24/605175124.db2.gz FHRNBQSCDFMPAX-KRWDZBQOSA-N -1 3 395.908 3.555 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833547450 605179421 /nfs/dbraw/zinc/17/94/21/605179421.db2.gz DKQDBOHQYPKYHN-MGPUTAFESA-N -1 3 386.467 3.787 20 0 GHADHM CC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c2ccccc21 ZINC000833392720 605261195 /nfs/dbraw/zinc/26/11/95/605261195.db2.gz FDDFUWKRGZHDQM-FUHWJXTLSA-N -1 3 392.377 3.919 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000833538989 605310437 /nfs/dbraw/zinc/31/04/37/605310437.db2.gz FITWXIUBJCUCEY-UKRRQHHQSA-N -1 3 397.397 3.591 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427342 607751454 /nfs/dbraw/zinc/75/14/54/607751454.db2.gz MZGQLLZRVYHPOG-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427342 607751455 /nfs/dbraw/zinc/75/14/55/607751455.db2.gz MZGQLLZRVYHPOG-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2CCCCCCC2)cc1-c1nnn[n-]1 ZINC000825532812 607761368 /nfs/dbraw/zinc/76/13/68/607761368.db2.gz WVPKZCJVYDOXQK-UHFFFAOYSA-N -1 3 386.456 3.734 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2CCCCCCC2)cc1-c1nn[n-]n1 ZINC000825532812 607761369 /nfs/dbraw/zinc/76/13/69/607761369.db2.gz WVPKZCJVYDOXQK-UHFFFAOYSA-N -1 3 386.456 3.734 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826225382 607763587 /nfs/dbraw/zinc/76/35/87/607763587.db2.gz AQAROIBLKFXCJH-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826225382 607763588 /nfs/dbraw/zinc/76/35/88/607763588.db2.gz AQAROIBLKFXCJH-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)ccc1OCC(F)(F)F ZINC000833862064 605598920 /nfs/dbraw/zinc/59/89/20/605598920.db2.gz QUYJBARBVHJZEV-TZMCWYRMSA-N -1 3 390.402 3.504 20 0 GHADHM CS[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826226274 607765064 /nfs/dbraw/zinc/76/50/64/607765064.db2.gz WFWGVGUOWXXWTM-ZDUSSCGKSA-N -1 3 399.545 3.640 20 0 GHADHM CS[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826226274 607765065 /nfs/dbraw/zinc/76/50/65/607765065.db2.gz WFWGVGUOWXXWTM-ZDUSSCGKSA-N -1 3 399.545 3.640 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000824329689 607765231 /nfs/dbraw/zinc/76/52/31/607765231.db2.gz ULCYPCCLWNPSSD-QGZVFWFLSA-N -1 3 392.463 3.503 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000824329689 607765232 /nfs/dbraw/zinc/76/52/32/607765232.db2.gz ULCYPCCLWNPSSD-QGZVFWFLSA-N -1 3 392.463 3.503 20 0 GHADHM CCCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825265728 607765948 /nfs/dbraw/zinc/76/59/48/607765948.db2.gz AGDWSWNEBYIDPY-LBPRGKRZSA-N -1 3 389.460 3.525 20 0 GHADHM CCCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825265728 607765949 /nfs/dbraw/zinc/76/59/49/607765949.db2.gz AGDWSWNEBYIDPY-LBPRGKRZSA-N -1 3 389.460 3.525 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826267428 607767555 /nfs/dbraw/zinc/76/75/55/607767555.db2.gz FOUHPKDOSDUNGP-UHFFFAOYSA-N -1 3 377.235 3.804 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826267428 607767556 /nfs/dbraw/zinc/76/75/56/607767556.db2.gz FOUHPKDOSDUNGP-UHFFFAOYSA-N -1 3 377.235 3.804 20 0 GHADHM O=C([O-])Nc1cccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000834269559 605788083 /nfs/dbraw/zinc/78/80/83/605788083.db2.gz YPGHDVXTTGJNJK-UHFFFAOYSA-N -1 3 379.420 3.601 20 0 GHADHM CCN(C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1)CC(F)(F)F ZINC000833654240 605838414 /nfs/dbraw/zinc/83/84/14/605838414.db2.gz IJIAKDYMBRWKRX-LBPRGKRZSA-N -1 3 378.822 3.744 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823252954 606024172 /nfs/dbraw/zinc/02/41/72/606024172.db2.gz BHPPQLKZAHILMJ-HWWDLCQESA-N -1 3 379.489 3.648 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820456079 606040114 /nfs/dbraw/zinc/04/01/14/606040114.db2.gz PPOOSJGPRXMDJI-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820456079 606040121 /nfs/dbraw/zinc/04/01/21/606040121.db2.gz PPOOSJGPRXMDJI-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM COc1ccc(C2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000821787004 606096860 /nfs/dbraw/zinc/09/68/60/606096860.db2.gz NDMFNVDOHLVWOK-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1ccc(C2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000821787004 606096863 /nfs/dbraw/zinc/09/68/63/606096863.db2.gz NDMFNVDOHLVWOK-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000823366978 606101519 /nfs/dbraw/zinc/10/15/19/606101519.db2.gz BGTXSIBWJAJXST-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000823366978 606101521 /nfs/dbraw/zinc/10/15/21/606101521.db2.gz BGTXSIBWJAJXST-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820825709 606104371 /nfs/dbraw/zinc/10/43/71/606104371.db2.gz BNRGEQUPMYPIBE-CQSZACIVSA-N -1 3 398.426 3.771 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820825709 606104374 /nfs/dbraw/zinc/10/43/74/606104374.db2.gz BNRGEQUPMYPIBE-CQSZACIVSA-N -1 3 398.426 3.771 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000821465960 606125835 /nfs/dbraw/zinc/12/58/35/606125835.db2.gz RYICZYLJKFWKTJ-NSHDSACASA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000821465960 606125838 /nfs/dbraw/zinc/12/58/38/606125838.db2.gz RYICZYLJKFWKTJ-NSHDSACASA-N -1 3 385.493 3.940 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819971839 606148613 /nfs/dbraw/zinc/14/86/13/606148613.db2.gz UEZNDKQABJLPAO-UHFFFAOYSA-N -1 3 396.398 3.892 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819971839 606148615 /nfs/dbraw/zinc/14/86/15/606148615.db2.gz UEZNDKQABJLPAO-UHFFFAOYSA-N -1 3 396.398 3.892 20 0 GHADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000819883685 606150144 /nfs/dbraw/zinc/15/01/44/606150144.db2.gz KQJPGIMWZFMHDL-SNVBAGLBSA-N -1 3 387.852 3.681 20 0 GHADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000819883685 606150145 /nfs/dbraw/zinc/15/01/45/606150145.db2.gz KQJPGIMWZFMHDL-SNVBAGLBSA-N -1 3 387.852 3.681 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000819950321 606184301 /nfs/dbraw/zinc/18/43/01/606184301.db2.gz INKXOJWZZBENHK-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000819950321 606184302 /nfs/dbraw/zinc/18/43/02/606184302.db2.gz INKXOJWZZBENHK-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823331193 606186802 /nfs/dbraw/zinc/18/68/02/606186802.db2.gz CCNHPNIHSMENSL-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823331193 606186803 /nfs/dbraw/zinc/18/68/03/606186803.db2.gz CCNHPNIHSMENSL-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCSc2ccc(Cl)cc21 ZINC000823498717 606193775 /nfs/dbraw/zinc/19/37/75/606193775.db2.gz ZBTCQONTIRUFLJ-UHFFFAOYSA-N -1 3 377.882 3.724 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCSc2ccc(Cl)cc21 ZINC000823498717 606193776 /nfs/dbraw/zinc/19/37/76/606193776.db2.gz ZBTCQONTIRUFLJ-UHFFFAOYSA-N -1 3 377.882 3.724 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000822655806 606215485 /nfs/dbraw/zinc/21/54/85/606215485.db2.gz YNJWATAKJYFZNE-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000822655806 606215486 /nfs/dbraw/zinc/21/54/86/606215486.db2.gz YNJWATAKJYFZNE-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)CCC1 ZINC000820944911 606226659 /nfs/dbraw/zinc/22/66/59/606226659.db2.gz PUAYZFTYCKQTFJ-UHFFFAOYSA-N -1 3 378.436 3.881 20 0 GHADHM O=C(OCC[C@@H]1CCCC1=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823400865 606227713 /nfs/dbraw/zinc/22/77/13/606227713.db2.gz KTFXNKMAFPOOIV-AWEZNQCLSA-N -1 3 391.431 3.526 20 0 GHADHM O=C([C@@H]1C[C@H]1C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822917193 606231502 /nfs/dbraw/zinc/23/15/02/606231502.db2.gz PNCUUJHBRXLETL-VQTJNVASSA-N -1 3 391.450 3.581 20 0 GHADHM O=C([C@@H]1C[C@H]1C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822917193 606231503 /nfs/dbraw/zinc/23/15/03/606231503.db2.gz PNCUUJHBRXLETL-VQTJNVASSA-N -1 3 391.450 3.581 20 0 GHADHM CC(C)OCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820142790 606247806 /nfs/dbraw/zinc/24/78/06/606247806.db2.gz WFQIODGZGIUSGK-UHFFFAOYSA-N -1 3 397.504 3.563 20 0 GHADHM CC(C)OCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820142790 606247807 /nfs/dbraw/zinc/24/78/07/606247807.db2.gz WFQIODGZGIUSGK-UHFFFAOYSA-N -1 3 397.504 3.563 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820571248 606265235 /nfs/dbraw/zinc/26/52/35/606265235.db2.gz WPXSRHSQKJPBKL-ZDUSSCGKSA-N -1 3 378.461 3.660 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820571248 606265236 /nfs/dbraw/zinc/26/52/36/606265236.db2.gz WPXSRHSQKJPBKL-ZDUSSCGKSA-N -1 3 378.461 3.660 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000822345103 606268389 /nfs/dbraw/zinc/26/83/89/606268389.db2.gz DNJGIYHVOAIYSR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000822345103 606268390 /nfs/dbraw/zinc/26/83/90/606268390.db2.gz DNJGIYHVOAIYSR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(Nc1cc(Br)c(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000823299099 606279324 /nfs/dbraw/zinc/27/93/24/606279324.db2.gz HJZWKISFLVZAQW-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cc(Br)c(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000823299099 606279325 /nfs/dbraw/zinc/27/93/25/606279325.db2.gz HJZWKISFLVZAQW-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821461924 606304402 /nfs/dbraw/zinc/30/44/02/606304402.db2.gz VZGRXFARSAKNEA-ACJLOTCBSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821461924 606304404 /nfs/dbraw/zinc/30/44/04/606304404.db2.gz VZGRXFARSAKNEA-ACJLOTCBSA-N -1 3 397.504 3.544 20 0 GHADHM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823372586 606322780 /nfs/dbraw/zinc/32/27/80/606322780.db2.gz GUJMCOAUTCKOHJ-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823372586 606322782 /nfs/dbraw/zinc/32/27/82/606322782.db2.gz GUJMCOAUTCKOHJ-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821828175 606327560 /nfs/dbraw/zinc/32/75/60/606327560.db2.gz RKNAHNTYMGUGHU-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821828175 606327562 /nfs/dbraw/zinc/32/75/62/606327562.db2.gz RKNAHNTYMGUGHU-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CSc1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)ccc1NC(C)=O ZINC000821978781 606329461 /nfs/dbraw/zinc/32/94/61/606329461.db2.gz MYAZDHRSUIGIEL-UHFFFAOYSA-N -1 3 399.501 3.522 20 0 GHADHM CSc1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)ccc1NC(C)=O ZINC000821978781 606329463 /nfs/dbraw/zinc/32/94/63/606329463.db2.gz MYAZDHRSUIGIEL-UHFFFAOYSA-N -1 3 399.501 3.522 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](CC)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC000821465592 606335833 /nfs/dbraw/zinc/33/58/33/606335833.db2.gz KCTRELVIJYFRJG-CYBMUJFWSA-N -1 3 389.456 3.734 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](CC)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC000821465592 606335834 /nfs/dbraw/zinc/33/58/34/606335834.db2.gz KCTRELVIJYFRJG-CYBMUJFWSA-N -1 3 389.456 3.734 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821407922 606344950 /nfs/dbraw/zinc/34/49/50/606344950.db2.gz XZVXHTJFJIVSPU-RHSMWYFYSA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821407922 606344951 /nfs/dbraw/zinc/34/49/51/606344951.db2.gz XZVXHTJFJIVSPU-RHSMWYFYSA-N -1 3 392.463 3.675 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000820831662 606350166 /nfs/dbraw/zinc/35/01/66/606350166.db2.gz ANSVOZOTJWNRIW-NNTXTVRGSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000820831662 606350168 /nfs/dbraw/zinc/35/01/68/606350168.db2.gz ANSVOZOTJWNRIW-NNTXTVRGSA-N -1 3 394.431 3.592 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822232886 606352837 /nfs/dbraw/zinc/35/28/37/606352837.db2.gz CYHNPOCGCYHCDY-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822232886 606352839 /nfs/dbraw/zinc/35/28/39/606352839.db2.gz CYHNPOCGCYHCDY-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820665204 606356806 /nfs/dbraw/zinc/35/68/06/606356806.db2.gz FBLUGKFVDGGTSC-AAEUAGOBSA-N -1 3 384.390 3.555 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820665204 606356807 /nfs/dbraw/zinc/35/68/07/606356807.db2.gz FBLUGKFVDGGTSC-AAEUAGOBSA-N -1 3 384.390 3.555 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000819883687 606360867 /nfs/dbraw/zinc/36/08/67/606360867.db2.gz KQKYDLWVEGYOPC-SNVBAGLBSA-N -1 3 378.310 3.763 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000819883687 606360870 /nfs/dbraw/zinc/36/08/70/606360870.db2.gz KQKYDLWVEGYOPC-SNVBAGLBSA-N -1 3 378.310 3.763 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454884 606380529 /nfs/dbraw/zinc/38/05/29/606380529.db2.gz HLTLRSWMXQMDHY-PWSUYJOCSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454884 606380530 /nfs/dbraw/zinc/38/05/30/606380530.db2.gz HLTLRSWMXQMDHY-PWSUYJOCSA-N -1 3 380.905 3.706 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000821608780 606382907 /nfs/dbraw/zinc/38/29/07/606382907.db2.gz UTJWEKAHYLCRIY-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000821608780 606382908 /nfs/dbraw/zinc/38/29/08/606382908.db2.gz UTJWEKAHYLCRIY-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM O=C1c2ccccc2N[C@H](c2ccc(-c3nnn[n-]3)s2)N1Cc1ccccc1 ZINC000823551345 606394423 /nfs/dbraw/zinc/39/44/23/606394423.db2.gz NKZZBFFLUCVHNF-IBGZPJMESA-N -1 3 388.456 3.695 20 0 GHADHM O=C(OCc1nccs1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823444133 606395580 /nfs/dbraw/zinc/39/55/80/606395580.db2.gz JCWYFKURGUVWGN-UHFFFAOYSA-N -1 3 395.469 3.831 20 0 GHADHM O=C(OCc1nccs1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823444133 606395582 /nfs/dbraw/zinc/39/55/82/606395582.db2.gz JCWYFKURGUVWGN-UHFFFAOYSA-N -1 3 395.469 3.831 20 0 GHADHM COc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1NC(=O)C1CCCCC1 ZINC000821838374 606432600 /nfs/dbraw/zinc/43/26/00/606432600.db2.gz MCLZVPTYFXJLCW-UHFFFAOYSA-N -1 3 393.451 3.533 20 0 GHADHM COc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1NC(=O)C1CCCCC1 ZINC000821838374 606432601 /nfs/dbraw/zinc/43/26/01/606432601.db2.gz MCLZVPTYFXJLCW-UHFFFAOYSA-N -1 3 393.451 3.533 20 0 GHADHM C[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[C@H]1C ZINC000820717852 606440166 /nfs/dbraw/zinc/44/01/66/606440166.db2.gz XWANUAOMHKXGMC-STQMWFEESA-N -1 3 382.493 3.535 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000821787520 606443306 /nfs/dbraw/zinc/44/33/06/606443306.db2.gz UWKCQCFVJCMRTN-INIZCTEOSA-N -1 3 387.390 3.504 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000821787520 606443307 /nfs/dbraw/zinc/44/33/07/606443307.db2.gz UWKCQCFVJCMRTN-INIZCTEOSA-N -1 3 387.390 3.504 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000820716702 606446888 /nfs/dbraw/zinc/44/68/88/606446888.db2.gz KHODMJZIHKXZCK-KBPBESRZSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000820716702 606446890 /nfs/dbraw/zinc/44/68/90/606446890.db2.gz KHODMJZIHKXZCK-KBPBESRZSA-N -1 3 379.489 3.888 20 0 GHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(OCC(F)(F)F)c1 ZINC000822255287 606450653 /nfs/dbraw/zinc/45/06/53/606450653.db2.gz YMKPCWVTDGLBBE-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(OCC(F)(F)F)c1 ZINC000822255287 606450654 /nfs/dbraw/zinc/45/06/54/606450654.db2.gz YMKPCWVTDGLBBE-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823161701 606485638 /nfs/dbraw/zinc/48/56/38/606485638.db2.gz POGPTVUTPYFGOB-LLVKDONJSA-N -1 3 377.882 3.549 20 0 GHADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823161701 606485641 /nfs/dbraw/zinc/48/56/41/606485641.db2.gz POGPTVUTPYFGOB-LLVKDONJSA-N -1 3 377.882 3.549 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(c1ccccc1)c1ccccc1 ZINC000820392561 606490283 /nfs/dbraw/zinc/49/02/83/606490283.db2.gz VYAZXADRBZBFRJ-AWEZNQCLSA-N -1 3 389.484 3.879 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(c1ccccc1)c1ccccc1 ZINC000820392561 606490284 /nfs/dbraw/zinc/49/02/84/606490284.db2.gz VYAZXADRBZBFRJ-AWEZNQCLSA-N -1 3 389.484 3.879 20 0 GHADHM CC[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820841795 606490599 /nfs/dbraw/zinc/49/05/99/606490599.db2.gz DRSGFIBSZBENOL-MRXNPFEDSA-N -1 3 389.381 3.696 20 0 GHADHM CC[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820841795 606490600 /nfs/dbraw/zinc/49/06/00/606490600.db2.gz DRSGFIBSZBENOL-MRXNPFEDSA-N -1 3 389.381 3.696 20 0 GHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820120333 606491944 /nfs/dbraw/zinc/49/19/44/606491944.db2.gz CGQBCMUVYLEFDA-UHFFFAOYSA-N -1 3 395.410 3.998 20 0 GHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820120333 606491945 /nfs/dbraw/zinc/49/19/45/606491945.db2.gz CGQBCMUVYLEFDA-UHFFFAOYSA-N -1 3 395.410 3.998 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820562773 606491979 /nfs/dbraw/zinc/49/19/79/606491979.db2.gz IUADPCOWELXUKC-VIFPVBQESA-N -1 3 381.383 3.780 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820562773 606491980 /nfs/dbraw/zinc/49/19/80/606491980.db2.gz IUADPCOWELXUKC-VIFPVBQESA-N -1 3 381.383 3.780 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819946517 606493578 /nfs/dbraw/zinc/49/35/78/606493578.db2.gz MSMNCPVKZFEONC-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819946517 606493580 /nfs/dbraw/zinc/49/35/80/606493580.db2.gz MSMNCPVKZFEONC-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM Cc1cc(Br)cc(Cl)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822159817 606494822 /nfs/dbraw/zinc/49/48/22/606494822.db2.gz DRDAUZKHDSVTMC-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1cc(Br)cc(Cl)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822159817 606494824 /nfs/dbraw/zinc/49/48/24/606494824.db2.gz DRDAUZKHDSVTMC-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000823092058 606497854 /nfs/dbraw/zinc/49/78/54/606497854.db2.gz ASGWDCKBNFBIMT-LJQANCHMSA-N -1 3 393.447 3.516 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000823092058 606497856 /nfs/dbraw/zinc/49/78/56/606497856.db2.gz ASGWDCKBNFBIMT-LJQANCHMSA-N -1 3 393.447 3.516 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823298970 606506263 /nfs/dbraw/zinc/50/62/63/606506263.db2.gz AUIYABBZCUJVLJ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823298970 606506265 /nfs/dbraw/zinc/50/62/65/606506265.db2.gz AUIYABBZCUJVLJ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000822194369 606508835 /nfs/dbraw/zinc/50/88/35/606508835.db2.gz UMMSRZQCPPSZJX-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000822194369 606508837 /nfs/dbraw/zinc/50/88/37/606508837.db2.gz UMMSRZQCPPSZJX-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(NCCSCc1cccc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823219938 606539202 /nfs/dbraw/zinc/53/92/02/606539202.db2.gz UDCYRALPTPEDSP-UHFFFAOYSA-N -1 3 395.513 3.745 20 0 GHADHM O=C(NCCSCc1cccc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823219938 606539204 /nfs/dbraw/zinc/53/92/04/606539204.db2.gz UDCYRALPTPEDSP-UHFFFAOYSA-N -1 3 395.513 3.745 20 0 GHADHM CC1(CNC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820618658 606543979 /nfs/dbraw/zinc/54/39/79/606543979.db2.gz LBNBPLYJVBJMQX-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM CC1(CNC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820618658 606543980 /nfs/dbraw/zinc/54/39/80/606543980.db2.gz LBNBPLYJVBJMQX-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM O=C(CCCc1cccs1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822958942 606557669 /nfs/dbraw/zinc/55/76/69/606557669.db2.gz OPIMGIUWWPVOHR-UHFFFAOYSA-N -1 3 394.403 3.596 20 0 GHADHM O=C(CCCc1cccs1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822958942 606557670 /nfs/dbraw/zinc/55/76/70/606557670.db2.gz OPIMGIUWWPVOHR-UHFFFAOYSA-N -1 3 394.403 3.596 20 0 GHADHM CC(C)[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820017494 606575624 /nfs/dbraw/zinc/57/56/24/606575624.db2.gz YKWMCCJSAOBZSF-KRWDZBQOSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820017494 606575625 /nfs/dbraw/zinc/57/56/25/606575625.db2.gz YKWMCCJSAOBZSF-KRWDZBQOSA-N -1 3 387.846 3.715 20 0 GHADHM CC1(CNC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CC1 ZINC000820618688 606577663 /nfs/dbraw/zinc/57/76/63/606577663.db2.gz LZZZBIHHBHPBRB-UHFFFAOYSA-N -1 3 382.399 3.720 20 0 GHADHM CC1(CNC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CC1 ZINC000820618688 606577665 /nfs/dbraw/zinc/57/76/65/606577665.db2.gz LZZZBIHHBHPBRB-UHFFFAOYSA-N -1 3 382.399 3.720 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482868 606578838 /nfs/dbraw/zinc/57/88/38/606578838.db2.gz VZAVINFPEMDUBH-KBXCAEBGSA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482868 606578840 /nfs/dbraw/zinc/57/88/40/606578840.db2.gz VZAVINFPEMDUBH-KBXCAEBGSA-N -1 3 379.464 3.564 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821859504 606600806 /nfs/dbraw/zinc/60/08/06/606600806.db2.gz PAMGMSNPAZSZJG-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821859504 606600808 /nfs/dbraw/zinc/60/08/08/606600808.db2.gz PAMGMSNPAZSZJG-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000821859635 606601087 /nfs/dbraw/zinc/60/10/87/606601087.db2.gz RKNNWDNBZSAPCR-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000821859635 606601088 /nfs/dbraw/zinc/60/10/88/606601088.db2.gz RKNNWDNBZSAPCR-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM CC(=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000819765401 606603391 /nfs/dbraw/zinc/60/33/91/606603391.db2.gz PIVLIUJOLWGFPB-CSKARUKUSA-N -1 3 389.337 3.649 20 0 GHADHM CC(=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000819765401 606603392 /nfs/dbraw/zinc/60/33/92/606603392.db2.gz PIVLIUJOLWGFPB-CSKARUKUSA-N -1 3 389.337 3.649 20 0 GHADHM CCCCCC(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821042628 606615243 /nfs/dbraw/zinc/61/52/43/606615243.db2.gz GMDLKUFGVPWIAM-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCCC(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821042628 606615245 /nfs/dbraw/zinc/61/52/45/606615245.db2.gz GMDLKUFGVPWIAM-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM CC(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)=C1CCCC1 ZINC000819867000 606618683 /nfs/dbraw/zinc/61/86/83/606618683.db2.gz QACXICOSFVBYMN-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821612561 606619495 /nfs/dbraw/zinc/61/94/95/606619495.db2.gz ZLXAIUFFPGGRQE-UHFFFAOYSA-N -1 3 383.883 3.747 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821612561 606619497 /nfs/dbraw/zinc/61/94/97/606619497.db2.gz ZLXAIUFFPGGRQE-UHFFFAOYSA-N -1 3 383.883 3.747 20 0 GHADHM Cc1cccc2c(=O)[nH]c(CSc3ccc(Cl)cc3-c3nnn[n-]3)nc12 ZINC000822332312 606628906 /nfs/dbraw/zinc/62/89/06/606628906.db2.gz ODQVMQHCKONRSH-UHFFFAOYSA-N -1 3 384.852 3.770 20 0 GHADHM Cc1cccc2c(=O)[nH]c(CSc3ccc(Cl)cc3-c3nn[n-]n3)nc12 ZINC000822332312 606628908 /nfs/dbraw/zinc/62/89/08/606628908.db2.gz ODQVMQHCKONRSH-UHFFFAOYSA-N -1 3 384.852 3.770 20 0 GHADHM O=C(NC1CC1)[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823145252 606630721 /nfs/dbraw/zinc/63/07/21/606630721.db2.gz PGTPYAQOZMJOGS-MRXNPFEDSA-N -1 3 385.880 3.632 20 0 GHADHM O=C(NC1CC1)[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823145252 606630722 /nfs/dbraw/zinc/63/07/22/606630722.db2.gz PGTPYAQOZMJOGS-MRXNPFEDSA-N -1 3 385.880 3.632 20 0 GHADHM Cc1cc(-c2csc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)n2)ccc1F ZINC000822128903 606633037 /nfs/dbraw/zinc/63/30/37/606633037.db2.gz GBGGEYURPUQGQV-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1cc(-c2csc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)n2)ccc1F ZINC000822128903 606633038 /nfs/dbraw/zinc/63/30/38/606633038.db2.gz GBGGEYURPUQGQV-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823355535 606662837 /nfs/dbraw/zinc/66/28/37/606662837.db2.gz DSBIDAOUVVPXMG-UHFFFAOYSA-N -1 3 389.365 3.968 20 0 GHADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823355535 606662838 /nfs/dbraw/zinc/66/28/38/606662838.db2.gz DSBIDAOUVVPXMG-UHFFFAOYSA-N -1 3 389.365 3.968 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147911 606670387 /nfs/dbraw/zinc/67/03/87/606670387.db2.gz LAGLUXPHRYHZCZ-CWFSZBLJSA-N -1 3 375.476 3.655 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147911 606670388 /nfs/dbraw/zinc/67/03/88/606670388.db2.gz LAGLUXPHRYHZCZ-CWFSZBLJSA-N -1 3 375.476 3.655 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820076812 606683920 /nfs/dbraw/zinc/68/39/20/606683920.db2.gz TYERYTVOJJNELB-UHFFFAOYSA-N -1 3 387.390 3.822 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820076812 606683921 /nfs/dbraw/zinc/68/39/21/606683921.db2.gz TYERYTVOJJNELB-UHFFFAOYSA-N -1 3 387.390 3.822 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC000820819295 606685675 /nfs/dbraw/zinc/68/56/75/606685675.db2.gz HAUWSWMBHXUTPH-NXEZZACHSA-N -1 3 387.415 3.674 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC000820819295 606685676 /nfs/dbraw/zinc/68/56/76/606685676.db2.gz HAUWSWMBHXUTPH-NXEZZACHSA-N -1 3 387.415 3.674 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820956628 606691141 /nfs/dbraw/zinc/69/11/41/606691141.db2.gz JPAZLYSKOVXBAD-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820956628 606691142 /nfs/dbraw/zinc/69/11/42/606691142.db2.gz JPAZLYSKOVXBAD-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000822929126 606694425 /nfs/dbraw/zinc/69/44/25/606694425.db2.gz PYMYKHZZIBSODR-MBWOQUJGSA-N -1 3 399.429 3.925 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000822929126 606694426 /nfs/dbraw/zinc/69/44/26/606694426.db2.gz PYMYKHZZIBSODR-MBWOQUJGSA-N -1 3 399.429 3.925 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822061641 606739409 /nfs/dbraw/zinc/73/94/09/606739409.db2.gz SSRPHJOIXJEFNM-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM O=C(OCCc1ccc2ccccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823410178 606749853 /nfs/dbraw/zinc/74/98/53/606749853.db2.gz PZKKQYJULGYSCP-UHFFFAOYSA-N -1 3 380.354 3.698 20 0 GHADHM O=C(OCCc1ccc2ccccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823410178 606749855 /nfs/dbraw/zinc/74/98/55/606749855.db2.gz PZKKQYJULGYSCP-UHFFFAOYSA-N -1 3 380.354 3.698 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820293575 606761118 /nfs/dbraw/zinc/76/11/18/606761118.db2.gz MVEAEIUFIPEVLZ-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820293575 606761120 /nfs/dbraw/zinc/76/11/20/606761120.db2.gz MVEAEIUFIPEVLZ-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)NC1(C2CC2)CC1 ZINC000823357434 606773017 /nfs/dbraw/zinc/77/30/17/606773017.db2.gz VKFRLHPRBHXCBE-UHFFFAOYSA-N -1 3 394.410 3.862 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)NC1(C2CC2)CC1 ZINC000823357434 606773018 /nfs/dbraw/zinc/77/30/18/606773018.db2.gz VKFRLHPRBHXCBE-UHFFFAOYSA-N -1 3 394.410 3.862 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1c(Cl)cccc1Cl ZINC000823031662 606786032 /nfs/dbraw/zinc/78/60/32/606786032.db2.gz FZQGQBKKMFCTLS-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1c(Cl)cccc1Cl ZINC000823031662 606786034 /nfs/dbraw/zinc/78/60/34/606786034.db2.gz FZQGQBKKMFCTLS-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM CCOCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821378657 606787245 /nfs/dbraw/zinc/78/72/45/606787245.db2.gz RGZKASGEACAJMX-UHFFFAOYSA-N -1 3 395.463 3.514 20 0 GHADHM CCOCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821378657 606787247 /nfs/dbraw/zinc/78/72/47/606787247.db2.gz RGZKASGEACAJMX-UHFFFAOYSA-N -1 3 395.463 3.514 20 0 GHADHM CC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820981690 606790285 /nfs/dbraw/zinc/79/02/85/606790285.db2.gz VUTGXBJNVIJZAF-KRWDZBQOSA-N -1 3 377.448 3.982 20 0 GHADHM CC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820981690 606790286 /nfs/dbraw/zinc/79/02/86/606790286.db2.gz VUTGXBJNVIJZAF-KRWDZBQOSA-N -1 3 377.448 3.982 20 0 GHADHM O=C(OC[C@H]1CCSC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823401591 606802126 /nfs/dbraw/zinc/80/21/26/606802126.db2.gz XVIBZJOHYASKOQ-CYBMUJFWSA-N -1 3 382.445 3.569 20 0 GHADHM O=C(OC[C@H]1CCSC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823401591 606802128 /nfs/dbraw/zinc/80/21/28/606802128.db2.gz XVIBZJOHYASKOQ-CYBMUJFWSA-N -1 3 382.445 3.569 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822230337 606806477 /nfs/dbraw/zinc/80/64/77/606806477.db2.gz CXJOYBIMHGAZIS-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822230337 606806478 /nfs/dbraw/zinc/80/64/78/606806478.db2.gz CXJOYBIMHGAZIS-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(Cl)c1 ZINC000151488195 606838881 /nfs/dbraw/zinc/83/88/81/606838881.db2.gz UTXOKVUIGAKLFD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(Cl)c1 ZINC000151488195 606838884 /nfs/dbraw/zinc/83/88/84/606838884.db2.gz UTXOKVUIGAKLFD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM c1ccc(-c2noc(CSCCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823772319 606841732 /nfs/dbraw/zinc/84/17/32/606841732.db2.gz JJLZQDIDDAIABH-UHFFFAOYSA-N -1 3 394.460 3.619 20 0 GHADHM c1ccc(-c2noc(CSCCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823772319 606841733 /nfs/dbraw/zinc/84/17/33/606841733.db2.gz JJLZQDIDDAIABH-UHFFFAOYSA-N -1 3 394.460 3.619 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cc(F)ccc1F ZINC000820550772 606853009 /nfs/dbraw/zinc/85/30/09/606853009.db2.gz YTXXRESRBVCASU-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cc(F)ccc1F ZINC000820550772 606853010 /nfs/dbraw/zinc/85/30/10/606853010.db2.gz YTXXRESRBVCASU-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM CCOc1cc(Br)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821393821 606866636 /nfs/dbraw/zinc/86/66/36/606866636.db2.gz BWSGSTVBFLUXTA-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1cc(Br)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821393821 606866638 /nfs/dbraw/zinc/86/66/38/606866638.db2.gz BWSGSTVBFLUXTA-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(C)(C)C)s1 ZINC000821690491 606866776 /nfs/dbraw/zinc/86/67/76/606866776.db2.gz NPDAMSMVRIUTCL-UHFFFAOYSA-N -1 3 399.520 3.515 20 0 GHADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(C)(C)C)s1 ZINC000821690491 606866778 /nfs/dbraw/zinc/86/67/78/606866778.db2.gz NPDAMSMVRIUTCL-UHFFFAOYSA-N -1 3 399.520 3.515 20 0 GHADHM Cc1c2c(nc(SCc3ccn(C4CCCC4)n3)c1-c1nnn[n-]1)CCC2 ZINC000822128701 606867156 /nfs/dbraw/zinc/86/71/56/606867156.db2.gz FQACGXBESZZVOA-UHFFFAOYSA-N -1 3 381.509 3.663 20 0 GHADHM Cc1c2c(nc(SCc3ccn(C4CCCC4)n3)c1-c1nn[n-]n1)CCC2 ZINC000822128701 606867158 /nfs/dbraw/zinc/86/71/58/606867158.db2.gz FQACGXBESZZVOA-UHFFFAOYSA-N -1 3 381.509 3.663 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238461 606948077 /nfs/dbraw/zinc/94/80/77/606948077.db2.gz IRTWBRREPMZQJV-AWEZNQCLSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238461 606948078 /nfs/dbraw/zinc/94/80/78/606948078.db2.gz IRTWBRREPMZQJV-AWEZNQCLSA-N -1 3 385.855 3.608 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000819975925 606956718 /nfs/dbraw/zinc/95/67/18/606956718.db2.gz FUGRDQQXCGAPNV-UHFFFAOYSA-N -1 3 394.357 3.574 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000819975925 606956720 /nfs/dbraw/zinc/95/67/20/606956720.db2.gz FUGRDQQXCGAPNV-UHFFFAOYSA-N -1 3 394.357 3.574 20 0 GHADHM CN(C(=O)COc1cccc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571042 606959216 /nfs/dbraw/zinc/95/92/16/606959216.db2.gz WYPWXUHCVMVYLE-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM CN(C(=O)COc1cccc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571042 606959217 /nfs/dbraw/zinc/95/92/17/606959217.db2.gz WYPWXUHCVMVYLE-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569563 606960679 /nfs/dbraw/zinc/96/06/79/606960679.db2.gz OJJSDUCZTNLRHG-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569563 606960680 /nfs/dbraw/zinc/96/06/80/606960680.db2.gz OJJSDUCZTNLRHG-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569317 606960697 /nfs/dbraw/zinc/96/06/97/606960697.db2.gz FUMNNIYPXGQBBB-TZMCWYRMSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569317 606960698 /nfs/dbraw/zinc/96/06/98/606960698.db2.gz FUMNNIYPXGQBBB-TZMCWYRMSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)Cc1csc2ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572246 606960817 /nfs/dbraw/zinc/96/08/17/606960817.db2.gz XCURQVAQOMEHJC-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CN(C(=O)Cc1csc2ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572246 606960819 /nfs/dbraw/zinc/96/08/19/606960819.db2.gz XCURQVAQOMEHJC-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CCc1cccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c[nH]c21 ZINC000821492516 606962134 /nfs/dbraw/zinc/96/21/34/606962134.db2.gz PAYQSQBALHWNTR-UHFFFAOYSA-N -1 3 394.866 3.769 20 0 GHADHM CCc1cccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c[nH]c21 ZINC000821492516 606962136 /nfs/dbraw/zinc/96/21/36/606962136.db2.gz PAYQSQBALHWNTR-UHFFFAOYSA-N -1 3 394.866 3.769 20 0 GHADHM CC(C)(C)[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000819899357 606965094 /nfs/dbraw/zinc/96/50/94/606965094.db2.gz SQSYSYSFTOMXNA-GOSISDBHSA-N -1 3 385.418 3.591 20 0 GHADHM CC(C)(C)[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000819899357 606965095 /nfs/dbraw/zinc/96/50/95/606965095.db2.gz SQSYSYSFTOMXNA-GOSISDBHSA-N -1 3 385.418 3.591 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000819899747 606965404 /nfs/dbraw/zinc/96/54/04/606965404.db2.gz YFCORLFASIHVDM-LJQANCHMSA-N -1 3 399.445 3.981 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000819899747 606965408 /nfs/dbraw/zinc/96/54/08/606965408.db2.gz YFCORLFASIHVDM-LJQANCHMSA-N -1 3 399.445 3.981 20 0 GHADHM COc1ccc(CCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821790902 606965543 /nfs/dbraw/zinc/96/55/43/606965543.db2.gz WLRLVVVKWCDQGT-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM COc1ccc(CCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821790902 606965544 /nfs/dbraw/zinc/96/55/44/606965544.db2.gz WLRLVVVKWCDQGT-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000820314083 606981763 /nfs/dbraw/zinc/98/17/63/606981763.db2.gz HPWAVRITXMCFFH-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000820314083 606981765 /nfs/dbraw/zinc/98/17/65/606981765.db2.gz HPWAVRITXMCFFH-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccncc1 ZINC000820225323 607006213 /nfs/dbraw/zinc/00/62/13/607006213.db2.gz GLQVPBWAKHSIDC-LBPRGKRZSA-N -1 3 382.493 3.724 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccncc1 ZINC000820225323 607006214 /nfs/dbraw/zinc/00/62/14/607006214.db2.gz GLQVPBWAKHSIDC-LBPRGKRZSA-N -1 3 382.493 3.724 20 0 GHADHM Brc1ccc(OCc2coc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000819688351 607030300 /nfs/dbraw/zinc/03/03/00/607030300.db2.gz HJFGBTATLUIZPN-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccc(OCc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000819688351 607030302 /nfs/dbraw/zinc/03/03/02/607030302.db2.gz HJFGBTATLUIZPN-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823373412 607076657 /nfs/dbraw/zinc/07/66/57/607076657.db2.gz YQCJJGFCFPPVHB-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823373412 607076658 /nfs/dbraw/zinc/07/66/58/607076658.db2.gz YQCJJGFCFPPVHB-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)cs2)cc1 ZINC000822214232 607077514 /nfs/dbraw/zinc/07/75/14/607077514.db2.gz VPFKBVGPSCEKKC-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)cs2)cc1 ZINC000822214232 607077517 /nfs/dbraw/zinc/07/75/17/607077517.db2.gz VPFKBVGPSCEKKC-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822201939 607079771 /nfs/dbraw/zinc/07/97/71/607079771.db2.gz CJQDHWQRFDWFHL-UHFFFAOYSA-N -1 3 385.859 3.666 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822201939 607079773 /nfs/dbraw/zinc/07/97/73/607079773.db2.gz CJQDHWQRFDWFHL-UHFFFAOYSA-N -1 3 385.859 3.666 20 0 GHADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819884440 607085242 /nfs/dbraw/zinc/08/52/42/607085242.db2.gz WTBJTIOUJACTQT-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819884440 607085243 /nfs/dbraw/zinc/08/52/43/607085243.db2.gz WTBJTIOUJACTQT-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822233914 607086167 /nfs/dbraw/zinc/08/61/67/607086167.db2.gz XUJLRHVDRFQKCS-MOPGFXCFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822233914 607086168 /nfs/dbraw/zinc/08/61/68/607086168.db2.gz XUJLRHVDRFQKCS-MOPGFXCFSA-N -1 3 396.422 3.525 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000820529196 607093173 /nfs/dbraw/zinc/09/31/73/607093173.db2.gz PRTAGMSZKHJNNW-RNCFNFMXSA-N -1 3 390.852 3.580 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000821305147 607099654 /nfs/dbraw/zinc/09/96/54/607099654.db2.gz ZBLYQFDQFNGNLQ-UHFFFAOYSA-N -1 3 381.827 3.686 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000821304782 607101053 /nfs/dbraw/zinc/10/10/53/607101053.db2.gz RAKQVADVJRACHQ-UHFFFAOYSA-N -1 3 391.262 3.787 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(SC)ccc1Cl ZINC000821304168 607101557 /nfs/dbraw/zinc/10/15/57/607101557.db2.gz AEORFMOFZKULBZ-UHFFFAOYSA-N -1 3 388.884 3.926 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000822723952 607131519 /nfs/dbraw/zinc/13/15/19/607131519.db2.gz UMZCLRHUIJLHCT-LLVKDONJSA-N -1 3 382.390 3.574 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000822723952 607131521 /nfs/dbraw/zinc/13/15/21/607131521.db2.gz UMZCLRHUIJLHCT-LLVKDONJSA-N -1 3 382.390 3.574 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397521 607145418 /nfs/dbraw/zinc/14/54/18/607145418.db2.gz POCXHNQUGTWUCT-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397521 607145419 /nfs/dbraw/zinc/14/54/19/607145419.db2.gz POCXHNQUGTWUCT-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Br)s1 ZINC000822176704 607150760 /nfs/dbraw/zinc/15/07/60/607150760.db2.gz PNXXLZNWRHSYIO-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Br)s1 ZINC000822176704 607150762 /nfs/dbraw/zinc/15/07/62/607150762.db2.gz PNXXLZNWRHSYIO-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937632 607153860 /nfs/dbraw/zinc/15/38/60/607153860.db2.gz AQVCEYRWOSXHND-DNVCBOLYSA-N -1 3 385.512 3.904 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937632 607153862 /nfs/dbraw/zinc/15/38/62/607153862.db2.gz AQVCEYRWOSXHND-DNVCBOLYSA-N -1 3 385.512 3.904 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C)c1ccccc1C ZINC000821701557 607157920 /nfs/dbraw/zinc/15/79/20/607157920.db2.gz SQYFOJVKMBBZOQ-HNNXBMFYSA-N -1 3 396.447 3.647 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H](C)c1ccccc1C ZINC000821701557 607157923 /nfs/dbraw/zinc/15/79/23/607157923.db2.gz SQYFOJVKMBBZOQ-HNNXBMFYSA-N -1 3 396.447 3.647 20 0 GHADHM CC(C)(C)c1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000819958898 607166612 /nfs/dbraw/zinc/16/66/12/607166612.db2.gz SEUCZOVWBDIIOV-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM CC(C)(C)c1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000819958898 607166613 /nfs/dbraw/zinc/16/66/13/607166613.db2.gz SEUCZOVWBDIIOV-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM Cc1cc(C)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000822194384 607167382 /nfs/dbraw/zinc/16/73/82/607167382.db2.gz VHDZRLTYJOOUKW-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Cc1cc(C)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822194384 607167383 /nfs/dbraw/zinc/16/73/83/607167383.db2.gz VHDZRLTYJOOUKW-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1csc(-c2cccs2)n1 ZINC000823318795 607189369 /nfs/dbraw/zinc/18/93/69/607189369.db2.gz KVYZEEZYZILATI-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1csc(-c2cccs2)n1 ZINC000823318795 607189370 /nfs/dbraw/zinc/18/93/70/607189370.db2.gz KVYZEEZYZILATI-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974688 607189589 /nfs/dbraw/zinc/18/95/89/607189589.db2.gz YRZPBNHJXNMADZ-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974688 607189590 /nfs/dbraw/zinc/18/95/90/607189590.db2.gz YRZPBNHJXNMADZ-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000819965682 607189933 /nfs/dbraw/zinc/18/99/33/607189933.db2.gz MRXBCOBXTYVAEA-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000819965682 607189934 /nfs/dbraw/zinc/18/99/34/607189934.db2.gz MRXBCOBXTYVAEA-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccccc1C ZINC000822345617 607191083 /nfs/dbraw/zinc/19/10/83/607191083.db2.gz MTHZSBFXIGNEMF-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccccc1C ZINC000822345617 607191084 /nfs/dbraw/zinc/19/10/84/607191084.db2.gz MTHZSBFXIGNEMF-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823315021 607191319 /nfs/dbraw/zinc/19/13/19/607191319.db2.gz WLDWWVSFGADEPF-ZYHUDNBSSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823315021 607191320 /nfs/dbraw/zinc/19/13/20/607191320.db2.gz WLDWWVSFGADEPF-ZYHUDNBSSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823313536 607192036 /nfs/dbraw/zinc/19/20/36/607192036.db2.gz DRFXEFADOWDYOO-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823313536 607192037 /nfs/dbraw/zinc/19/20/37/607192037.db2.gz DRFXEFADOWDYOO-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224166 607196637 /nfs/dbraw/zinc/19/66/37/607196637.db2.gz RPMNUQSRKTYKMZ-UHFFFAOYSA-N -1 3 395.225 3.677 20 0 GHADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224166 607196638 /nfs/dbraw/zinc/19/66/38/607196638.db2.gz RPMNUQSRKTYKMZ-UHFFFAOYSA-N -1 3 395.225 3.677 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000822369636 607196700 /nfs/dbraw/zinc/19/67/00/607196700.db2.gz KZYUCDMSKFDVHF-HNNXBMFYSA-N -1 3 385.859 3.742 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000822369636 607196701 /nfs/dbraw/zinc/19/67/01/607196701.db2.gz KZYUCDMSKFDVHF-HNNXBMFYSA-N -1 3 385.859 3.742 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456174 607203441 /nfs/dbraw/zinc/20/34/41/607203441.db2.gz NXZFSLBYMRCLOO-ZIAGYGMSSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456174 607203442 /nfs/dbraw/zinc/20/34/42/607203442.db2.gz NXZFSLBYMRCLOO-ZIAGYGMSSA-N -1 3 380.905 3.706 20 0 GHADHM O=C(Cc1ccco1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823114810 607238617 /nfs/dbraw/zinc/23/86/17/607238617.db2.gz GDOLFCKKKLGJFL-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(Cc1ccco1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823114810 607238618 /nfs/dbraw/zinc/23/86/18/607238618.db2.gz GDOLFCKKKLGJFL-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000822214281 607248052 /nfs/dbraw/zinc/24/80/52/607248052.db2.gz XUUJMUWFQLFKGL-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000822214281 607248053 /nfs/dbraw/zinc/24/80/53/607248053.db2.gz XUUJMUWFQLFKGL-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM CCC1(CC)CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000825171000 607773780 /nfs/dbraw/zinc/77/37/80/607773780.db2.gz LMAMXLKUJBUVDQ-UHFFFAOYSA-N -1 3 382.855 3.633 20 0 GHADHM CCC1(CC)CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000825171000 607773781 /nfs/dbraw/zinc/77/37/81/607773781.db2.gz LMAMXLKUJBUVDQ-UHFFFAOYSA-N -1 3 382.855 3.633 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825127833 607783778 /nfs/dbraw/zinc/78/37/78/607783778.db2.gz OSMTUHMVZSADDH-ZDUSSCGKSA-N -1 3 384.534 3.724 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825127833 607783779 /nfs/dbraw/zinc/78/37/79/607783779.db2.gz OSMTUHMVZSADDH-ZDUSSCGKSA-N -1 3 384.534 3.724 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)cs2)cc1 ZINC000826273473 607786659 /nfs/dbraw/zinc/78/66/59/607786659.db2.gz GDJUQSVRTMIEIO-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)cs2)cc1 ZINC000826273473 607786660 /nfs/dbraw/zinc/78/66/60/607786660.db2.gz GDJUQSVRTMIEIO-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CN(C(=O)c1cc2cc(Br)ccc2o1)c1ccccc1-c1nnn[n-]1 ZINC000825825595 607788166 /nfs/dbraw/zinc/78/81/66/607788166.db2.gz FSOJEMRKYUJGSR-UHFFFAOYSA-N -1 3 398.220 3.652 20 0 GHADHM CN(C(=O)c1cc2cc(Br)ccc2o1)c1ccccc1-c1nn[n-]n1 ZINC000825825595 607788167 /nfs/dbraw/zinc/78/81/67/607788167.db2.gz FSOJEMRKYUJGSR-UHFFFAOYSA-N -1 3 398.220 3.652 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccc1-c1nnn[n-]1 ZINC000825825870 607789876 /nfs/dbraw/zinc/78/98/76/607789876.db2.gz MCUNQNMZLQXGDZ-UHFFFAOYSA-N -1 3 387.468 3.970 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccc1-c1nn[n-]n1 ZINC000825825870 607789877 /nfs/dbraw/zinc/78/98/77/607789877.db2.gz MCUNQNMZLQXGDZ-UHFFFAOYSA-N -1 3 387.468 3.970 20 0 GHADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)nc1 ZINC000826282253 607794163 /nfs/dbraw/zinc/79/41/63/607794163.db2.gz FWJKJCDHXLASQI-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)nc1 ZINC000826282253 607794164 /nfs/dbraw/zinc/79/41/64/607794164.db2.gz FWJKJCDHXLASQI-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM CCN(C(=O)c1oc2ccc(OC)cc2c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391379 607797678 /nfs/dbraw/zinc/79/76/78/607797678.db2.gz YSYORQPYJBIIQX-UHFFFAOYSA-N -1 3 377.404 3.597 20 0 GHADHM CCN(C(=O)c1oc2ccc(OC)cc2c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391379 607797679 /nfs/dbraw/zinc/79/76/79/607797679.db2.gz YSYORQPYJBIIQX-UHFFFAOYSA-N -1 3 377.404 3.597 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cnoc2C2CC2)n1 ZINC000826262065 607813307 /nfs/dbraw/zinc/81/33/07/607813307.db2.gz CZNYYKKLKXPQTO-UHFFFAOYSA-N -1 3 382.371 3.747 20 0 GHADHM Cc1nc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000826326931 607813483 /nfs/dbraw/zinc/81/34/83/607813483.db2.gz LAWDVSMWKKQYBU-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826432325 607834536 /nfs/dbraw/zinc/83/45/36/607834536.db2.gz XRKWOHVVKKWXIH-CQSZACIVSA-N -1 3 392.221 3.730 20 0 GHADHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826432325 607834537 /nfs/dbraw/zinc/83/45/37/607834537.db2.gz XRKWOHVVKKWXIH-CQSZACIVSA-N -1 3 392.221 3.730 20 0 GHADHM O[C@@H](COc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504139 607872874 /nfs/dbraw/zinc/87/28/74/607872874.db2.gz OGUSUCBHRBVTAC-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504139 607872875 /nfs/dbraw/zinc/87/28/75/607872875.db2.gz OGUSUCBHRBVTAC-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826504071 607878598 /nfs/dbraw/zinc/87/85/98/607878598.db2.gz MNNDKZRZWUNTCH-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000826504071 607878599 /nfs/dbraw/zinc/87/85/99/607878599.db2.gz MNNDKZRZWUNTCH-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824801998 607882609 /nfs/dbraw/zinc/88/26/09/607882609.db2.gz JEKVTDFUNAVKAK-QGZVFWFLSA-N -1 3 396.539 3.512 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824801998 607882610 /nfs/dbraw/zinc/88/26/10/607882610.db2.gz JEKVTDFUNAVKAK-QGZVFWFLSA-N -1 3 396.539 3.512 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000824046482 607886016 /nfs/dbraw/zinc/88/60/16/607886016.db2.gz SKTJHJSAFYKDRI-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824046482 607886017 /nfs/dbraw/zinc/88/60/17/607886017.db2.gz SKTJHJSAFYKDRI-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM Cc1ccnc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)n1 ZINC000826308991 607925503 /nfs/dbraw/zinc/92/55/03/607925503.db2.gz ZJGYWPBTZNTCKA-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1ccnc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)n1 ZINC000826308991 607925504 /nfs/dbraw/zinc/92/55/04/607925504.db2.gz ZJGYWPBTZNTCKA-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM CS[C@H](C)CC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000826224976 607939171 /nfs/dbraw/zinc/93/91/71/607939171.db2.gz QJADXSKMUMQPEJ-CQSZACIVSA-N -1 3 399.495 3.989 20 0 GHADHM CS[C@H](C)CC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000826224976 607939172 /nfs/dbraw/zinc/93/91/72/607939172.db2.gz QJADXSKMUMQPEJ-CQSZACIVSA-N -1 3 399.495 3.989 20 0 GHADHM COc1ccc2sc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c(C)c2c1 ZINC000826213652 607948654 /nfs/dbraw/zinc/94/86/54/607948654.db2.gz FXZMGKAYSPDWID-UHFFFAOYSA-N -1 3 391.456 3.601 20 0 GHADHM COc1ccc2sc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c(C)c2c1 ZINC000826213652 607948655 /nfs/dbraw/zinc/94/86/55/607948655.db2.gz FXZMGKAYSPDWID-UHFFFAOYSA-N -1 3 391.456 3.601 20 0 GHADHM O=C(c1ccc(COc2ccccc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472273 607951883 /nfs/dbraw/zinc/95/18/83/607951883.db2.gz FLSPUVAKOIEDBT-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM O=C(c1ccc(COc2ccccc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472273 607951884 /nfs/dbraw/zinc/95/18/84/607951884.db2.gz FLSPUVAKOIEDBT-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472961 607952740 /nfs/dbraw/zinc/95/27/40/607952740.db2.gz DWPKJRXINKOLQN-UHFFFAOYSA-N -1 3 393.756 3.742 20 0 GHADHM O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472961 607952741 /nfs/dbraw/zinc/95/27/41/607952741.db2.gz DWPKJRXINKOLQN-UHFFFAOYSA-N -1 3 393.756 3.742 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCc5ccc(-c6nnn[n-]6)cc54)cc3c2C1 ZINC000824969400 607954062 /nfs/dbraw/zinc/95/40/62/607954062.db2.gz TZVOIWBEHCWALD-ZDUSSCGKSA-N -1 3 398.470 3.676 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCc5ccc(-c6nn[n-]n6)cc54)cc3c2C1 ZINC000824969400 607954063 /nfs/dbraw/zinc/95/40/63/607954063.db2.gz TZVOIWBEHCWALD-ZDUSSCGKSA-N -1 3 398.470 3.676 20 0 GHADHM O=C(c1ccc(CCC(F)(F)F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472797 607956236 /nfs/dbraw/zinc/95/62/36/607956236.db2.gz XGBDAVLEGZIZJL-UHFFFAOYSA-N -1 3 387.365 3.565 20 0 GHADHM O=C(c1ccc(CCC(F)(F)F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472797 607956237 /nfs/dbraw/zinc/95/62/37/607956237.db2.gz XGBDAVLEGZIZJL-UHFFFAOYSA-N -1 3 387.365 3.565 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362471 607978552 /nfs/dbraw/zinc/97/85/52/607978552.db2.gz MASYWNZVHGJQFF-JKSUJKDBSA-N -1 3 393.491 3.664 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362471 607978553 /nfs/dbraw/zinc/97/85/53/607978553.db2.gz MASYWNZVHGJQFF-JKSUJKDBSA-N -1 3 393.491 3.664 20 0 GHADHM CN(C(=O)CCn1ccc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000825817972 607978725 /nfs/dbraw/zinc/97/87/25/607978725.db2.gz RGJRPHSOYWYBDC-UHFFFAOYSA-N -1 3 380.839 3.528 20 0 GHADHM CN(C(=O)CCn1ccc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000825817972 607978726 /nfs/dbraw/zinc/97/87/26/607978726.db2.gz RGJRPHSOYWYBDC-UHFFFAOYSA-N -1 3 380.839 3.528 20 0 GHADHM C[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824435064 608016736 /nfs/dbraw/zinc/01/67/36/608016736.db2.gz LIRCLLJMJQARNQ-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM C[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824435064 608016737 /nfs/dbraw/zinc/01/67/37/608016737.db2.gz LIRCLLJMJQARNQ-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081112 608028992 /nfs/dbraw/zinc/02/89/92/608028992.db2.gz GICOAJFDLUYMAM-STQMWFEESA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081112 608028993 /nfs/dbraw/zinc/02/89/93/608028993.db2.gz GICOAJFDLUYMAM-STQMWFEESA-N -1 3 380.452 3.830 20 0 GHADHM Cc1cnc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)nc1 ZINC000826318365 608032917 /nfs/dbraw/zinc/03/29/17/608032917.db2.gz FRRQPIPXANNWPP-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cnc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)nc1 ZINC000826318365 608032918 /nfs/dbraw/zinc/03/29/18/608032918.db2.gz FRRQPIPXANNWPP-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1SCCS1 ZINC000826272027 608046556 /nfs/dbraw/zinc/04/65/56/608046556.db2.gz RKUMNHLJAZQGOP-UHFFFAOYSA-N -1 3 399.501 3.712 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1SCCS1 ZINC000826272027 608046557 /nfs/dbraw/zinc/04/65/57/608046557.db2.gz RKUMNHLJAZQGOP-UHFFFAOYSA-N -1 3 399.501 3.712 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1Br)CCO2 ZINC000826375955 608050425 /nfs/dbraw/zinc/05/04/25/608050425.db2.gz IUPUUEIKCWFWLU-CYBMUJFWSA-N -1 3 390.216 3.704 20 0 GHADHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826297745 608051337 /nfs/dbraw/zinc/05/13/37/608051337.db2.gz QRISKYZHTYYDFM-INIZCTEOSA-N -1 3 385.269 3.674 20 0 GHADHM CCC(CC)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825097673 608057251 /nfs/dbraw/zinc/05/72/51/608057251.db2.gz YBONXOQRRHMVEB-GFCCVEGCSA-N -1 3 383.418 3.830 20 0 GHADHM CCC(CC)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825097673 608057252 /nfs/dbraw/zinc/05/72/52/608057252.db2.gz YBONXOQRRHMVEB-GFCCVEGCSA-N -1 3 383.418 3.830 20 0 GHADHM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824874347 608057979 /nfs/dbraw/zinc/05/79/79/608057979.db2.gz CGGDFAOFNMKGJP-RHSMWYFYSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824874347 608057980 /nfs/dbraw/zinc/05/79/80/608057980.db2.gz CGGDFAOFNMKGJP-RHSMWYFYSA-N -1 3 390.443 3.582 20 0 GHADHM CCN(C(=O)c1c[nH]c2cccc(F)c12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376536 608058112 /nfs/dbraw/zinc/05/81/12/608058112.db2.gz IVAWEMHUHZMQKV-GFCCVEGCSA-N -1 3 378.411 3.710 20 0 GHADHM CCN(C(=O)c1c[nH]c2cccc(F)c12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376536 608058113 /nfs/dbraw/zinc/05/81/13/608058113.db2.gz IVAWEMHUHZMQKV-GFCCVEGCSA-N -1 3 378.411 3.710 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000824293692 608059745 /nfs/dbraw/zinc/05/97/45/608059745.db2.gz XERLJBPOHBRJIU-UHFFFAOYSA-N -1 3 399.445 3.905 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1cc(F)ccc1F ZINC000824293692 608059746 /nfs/dbraw/zinc/05/97/46/608059746.db2.gz XERLJBPOHBRJIU-UHFFFAOYSA-N -1 3 399.445 3.905 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3cccnc3)s2)c1-c1nnn[n-]1 ZINC000825688369 608062549 /nfs/dbraw/zinc/06/25/49/608062549.db2.gz WQRGXIKKYVGARM-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3cccnc3)s2)c1-c1nn[n-]n1 ZINC000825688369 608062550 /nfs/dbraw/zinc/06/25/50/608062550.db2.gz WQRGXIKKYVGARM-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825159075 608067276 /nfs/dbraw/zinc/06/72/76/608067276.db2.gz IKVQZNIQAQJTJO-OALUTQOASA-N -1 3 385.418 3.670 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825159075 608067277 /nfs/dbraw/zinc/06/72/77/608067277.db2.gz IKVQZNIQAQJTJO-OALUTQOASA-N -1 3 385.418 3.670 20 0 GHADHM CC1(C)CCN1C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824807620 608071490 /nfs/dbraw/zinc/07/14/90/608071490.db2.gz KBLIQNPNKYXSIJ-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CC1(C)CCN1C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824807620 608071491 /nfs/dbraw/zinc/07/14/91/608071491.db2.gz KBLIQNPNKYXSIJ-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236421 608074308 /nfs/dbraw/zinc/07/43/08/608074308.db2.gz LKMKQRRBBZYURP-SECBINFHSA-N -1 3 393.781 3.513 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500875 608105499 /nfs/dbraw/zinc/10/54/99/608105499.db2.gz ZVAVYCIGHUSMKK-GFCCVEGCSA-N -1 3 398.417 3.585 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500875 608105500 /nfs/dbraw/zinc/10/55/00/608105500.db2.gz ZVAVYCIGHUSMKK-GFCCVEGCSA-N -1 3 398.417 3.585 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000824255789 608119551 /nfs/dbraw/zinc/11/95/51/608119551.db2.gz XZZVXHMWMLAFBW-CQSZACIVSA-N -1 3 399.445 3.933 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000824255789 608119552 /nfs/dbraw/zinc/11/95/52/608119552.db2.gz XZZVXHMWMLAFBW-CQSZACIVSA-N -1 3 399.445 3.933 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826471937 608130967 /nfs/dbraw/zinc/13/09/67/608130967.db2.gz RFNAMPZPMMDZLI-OAHLLOKOSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826471937 608130968 /nfs/dbraw/zinc/13/09/68/608130968.db2.gz RFNAMPZPMMDZLI-OAHLLOKOSA-N -1 3 387.365 3.515 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826185076 608152212 /nfs/dbraw/zinc/15/22/12/608152212.db2.gz XMBIFDTVNOUMRO-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826185076 608152213 /nfs/dbraw/zinc/15/22/13/608152213.db2.gz XMBIFDTVNOUMRO-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc2cccc(C)c2o1 ZINC000825793155 608177064 /nfs/dbraw/zinc/17/70/64/608177064.db2.gz NTKSEOXZPOMEHJ-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc2cccc(C)c2o1 ZINC000825793155 608177066 /nfs/dbraw/zinc/17/70/66/608177066.db2.gz NTKSEOXZPOMEHJ-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826368300 608194397 /nfs/dbraw/zinc/19/43/97/608194397.db2.gz KWTUTJRTUZTPMH-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826368300 608194398 /nfs/dbraw/zinc/19/43/98/608194398.db2.gz KWTUTJRTUZTPMH-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM CC(C)(c1ccccc1)[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC000824178489 608199569 /nfs/dbraw/zinc/19/95/69/608199569.db2.gz UTGRGLOSENHLJH-OAHLLOKOSA-N -1 3 396.394 3.994 20 0 GHADHM CC(C)(c1ccccc1)[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC000824178489 608199570 /nfs/dbraw/zinc/19/95/70/608199570.db2.gz UTGRGLOSENHLJH-OAHLLOKOSA-N -1 3 396.394 3.994 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000824757403 608205999 /nfs/dbraw/zinc/20/59/99/608205999.db2.gz WBIUWBRLQNQEKM-LBPRGKRZSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000824757403 608206000 /nfs/dbraw/zinc/20/60/00/608206000.db2.gz WBIUWBRLQNQEKM-LBPRGKRZSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385052 608235857 /nfs/dbraw/zinc/23/58/57/608235857.db2.gz KOCIAEMXBZUQDY-KBPBESRZSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385052 608235859 /nfs/dbraw/zinc/23/58/59/608235859.db2.gz KOCIAEMXBZUQDY-KBPBESRZSA-N -1 3 383.883 3.966 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825194144 608246053 /nfs/dbraw/zinc/24/60/53/608246053.db2.gz PDTXHXJXOCHLDF-BEFAXECRSA-N -1 3 391.475 3.849 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825654153 608260278 /nfs/dbraw/zinc/26/02/78/608260278.db2.gz PTEOBDLHVAAQDX-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825654153 608260279 /nfs/dbraw/zinc/26/02/79/608260279.db2.gz PTEOBDLHVAAQDX-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM CCCCSc1nnc(SCc2ccc(-c3nnn[n-]3)cc2OC)s1 ZINC000825296261 608261760 /nfs/dbraw/zinc/26/17/60/608261760.db2.gz AXBRNWDAGDYBLT-UHFFFAOYSA-N -1 3 394.551 3.911 20 0 GHADHM CCCCSc1nnc(SCc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000825296261 608261762 /nfs/dbraw/zinc/26/17/62/608261762.db2.gz AXBRNWDAGDYBLT-UHFFFAOYSA-N -1 3 394.551 3.911 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000119722161 608268388 /nfs/dbraw/zinc/26/83/88/608268388.db2.gz BLUUKJWQCHIOHV-APWZRJJASA-N -1 3 385.512 3.639 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000119722161 608268390 /nfs/dbraw/zinc/26/83/90/608268390.db2.gz BLUUKJWQCHIOHV-APWZRJJASA-N -1 3 385.512 3.639 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928104 608279424 /nfs/dbraw/zinc/27/94/24/608279424.db2.gz RDEFTXKLBUDOGW-LPHOPBHVSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928104 608279425 /nfs/dbraw/zinc/27/94/25/608279425.db2.gz RDEFTXKLBUDOGW-LPHOPBHVSA-N -1 3 385.512 3.985 20 0 GHADHM COCCOc1c(Cl)cc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826160701 608291851 /nfs/dbraw/zinc/29/18/51/608291851.db2.gz BLUHGWMXUMWQNN-UHFFFAOYSA-N -1 3 394.262 3.811 20 0 GHADHM COCCOc1c(Cl)cc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826160701 608291852 /nfs/dbraw/zinc/29/18/52/608291852.db2.gz BLUHGWMXUMWQNN-UHFFFAOYSA-N -1 3 394.262 3.811 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000826277402 608293976 /nfs/dbraw/zinc/29/39/76/608293976.db2.gz SQOADWGZGGSRPY-NSHDSACASA-N -1 3 386.253 3.680 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000826277402 608293978 /nfs/dbraw/zinc/29/39/78/608293978.db2.gz SQOADWGZGGSRPY-NSHDSACASA-N -1 3 386.253 3.680 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274636 608296934 /nfs/dbraw/zinc/29/69/34/608296934.db2.gz XXBXSGTVVWUKGN-LBPRGKRZSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274636 608296937 /nfs/dbraw/zinc/29/69/37/608296937.db2.gz XXBXSGTVVWUKGN-LBPRGKRZSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826332308 608310357 /nfs/dbraw/zinc/31/03/57/608310357.db2.gz PROMPALFWJPPGB-HNNXBMFYSA-N -1 3 391.454 3.693 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826332308 608310359 /nfs/dbraw/zinc/31/03/59/608310359.db2.gz PROMPALFWJPPGB-HNNXBMFYSA-N -1 3 391.454 3.693 20 0 GHADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824521279 608314504 /nfs/dbraw/zinc/31/45/04/608314504.db2.gz JLNRPJRRASDCKC-ZJUUUORDSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824521279 608314507 /nfs/dbraw/zinc/31/45/07/608314507.db2.gz JLNRPJRRASDCKC-ZJUUUORDSA-N -1 3 395.410 3.869 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826332186 608314845 /nfs/dbraw/zinc/31/48/45/608314845.db2.gz MEMPCCFDDMBJEY-QVKFZJNVSA-N -1 3 385.475 3.554 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000824119367 608325517 /nfs/dbraw/zinc/32/55/17/608325517.db2.gz GTBZQHWCCQJHPU-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000824119367 608325519 /nfs/dbraw/zinc/32/55/19/608325519.db2.gz GTBZQHWCCQJHPU-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000826277922 608338023 /nfs/dbraw/zinc/33/80/23/608338023.db2.gz LTMDCQZYLQHYRT-UHFFFAOYSA-N -1 3 392.341 3.602 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000826277922 608338025 /nfs/dbraw/zinc/33/80/25/608338025.db2.gz LTMDCQZYLQHYRT-UHFFFAOYSA-N -1 3 392.341 3.602 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825034815 608341551 /nfs/dbraw/zinc/34/15/51/608341551.db2.gz QZDQCJIGPSIDPO-UHFFFAOYSA-N -1 3 383.839 3.780 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825034815 608341553 /nfs/dbraw/zinc/34/15/53/608341553.db2.gz QZDQCJIGPSIDPO-UHFFFAOYSA-N -1 3 383.839 3.780 20 0 GHADHM CCN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390683 608344090 /nfs/dbraw/zinc/34/40/90/608344090.db2.gz KHHIMBPRMLCAIH-UHFFFAOYSA-N -1 3 390.900 3.941 20 0 GHADHM CCN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390683 608344092 /nfs/dbraw/zinc/34/40/92/608344092.db2.gz KHHIMBPRMLCAIH-UHFFFAOYSA-N -1 3 390.900 3.941 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc2ccccc2c1 ZINC000824633310 608423435 /nfs/dbraw/zinc/42/34/35/608423435.db2.gz KRBRBKKIOVFTPR-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc2ccccc2c1 ZINC000824633310 608423437 /nfs/dbraw/zinc/42/34/37/608423437.db2.gz KRBRBKKIOVFTPR-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc2ccccc21 ZINC000824633652 608426351 /nfs/dbraw/zinc/42/63/51/608426351.db2.gz PYLCKRNJSUWEJT-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM CCC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000825242479 608426726 /nfs/dbraw/zinc/42/67/26/608426726.db2.gz SAIZJCNMBBUMSY-QGZVFWFLSA-N -1 3 375.436 3.548 20 0 GHADHM CCC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000825242479 608426728 /nfs/dbraw/zinc/42/67/28/608426728.db2.gz SAIZJCNMBBUMSY-QGZVFWFLSA-N -1 3 375.436 3.548 20 0 GHADHM CCc1ncnc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1F ZINC000825755541 608427724 /nfs/dbraw/zinc/42/77/24/608427724.db2.gz ZRZVWMRENWANJA-UHFFFAOYSA-N -1 3 378.367 3.943 20 0 GHADHM CCc1ncnc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1F ZINC000825755541 608427726 /nfs/dbraw/zinc/42/77/26/608427726.db2.gz ZRZVWMRENWANJA-UHFFFAOYSA-N -1 3 378.367 3.943 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824449296 608450816 /nfs/dbraw/zinc/45/08/16/608450816.db2.gz NKIIDZUSUSXTDA-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824449296 608450818 /nfs/dbraw/zinc/45/08/18/608450818.db2.gz NKIIDZUSUSXTDA-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM C[C@H](NCc1csc(CCc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824625419 608459492 /nfs/dbraw/zinc/45/94/92/608459492.db2.gz HPBZIUMQDQITLA-HNNXBMFYSA-N -1 3 390.516 3.959 20 0 GHADHM C[C@H](NCc1csc(Nc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626466 608460803 /nfs/dbraw/zinc/46/08/03/608460803.db2.gz OPQVILCDLZEYSK-ZDUSSCGKSA-N -1 3 377.477 3.918 20 0 GHADHM c1cc(C2=CCN(Cc3noc(C4CCCCC4)n3)CC2)ccc1-c1nnn[n-]1 ZINC000823868194 608465452 /nfs/dbraw/zinc/46/54/52/608465452.db2.gz QIDWBAVZQNFLCZ-UHFFFAOYSA-N -1 3 391.479 3.587 20 0 GHADHM c1cc(C2=CCN(Cc3noc(C4CCCCC4)n3)CC2)ccc1-c1nn[n-]n1 ZINC000823868194 608465453 /nfs/dbraw/zinc/46/54/53/608465453.db2.gz QIDWBAVZQNFLCZ-UHFFFAOYSA-N -1 3 391.479 3.587 20 0 GHADHM Cc1ccc(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000826291492 608475696 /nfs/dbraw/zinc/47/56/96/608475696.db2.gz IZGOXWSSHKGKGT-UHFFFAOYSA-N -1 3 394.479 3.800 20 0 GHADHM Cc1ccc(NC(=S)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826291492 608475697 /nfs/dbraw/zinc/47/56/97/608475697.db2.gz IZGOXWSSHKGKGT-UHFFFAOYSA-N -1 3 394.479 3.800 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825127324 608478489 /nfs/dbraw/zinc/47/84/89/608478489.db2.gz LZNAHSNKQBUSGH-CQSZACIVSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825127324 608478491 /nfs/dbraw/zinc/47/84/91/608478491.db2.gz LZNAHSNKQBUSGH-CQSZACIVSA-N -1 3 398.492 3.922 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c21 ZINC000826304204 608478599 /nfs/dbraw/zinc/47/85/99/608478599.db2.gz BVGCMRGCTNEAMX-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c21 ZINC000826304204 608478601 /nfs/dbraw/zinc/47/86/01/608478601.db2.gz BVGCMRGCTNEAMX-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825127320 608478815 /nfs/dbraw/zinc/47/88/15/608478815.db2.gz LZNAHSNKQBUSGH-AWEZNQCLSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825127320 608478816 /nfs/dbraw/zinc/47/88/16/608478816.db2.gz LZNAHSNKQBUSGH-AWEZNQCLSA-N -1 3 398.492 3.922 20 0 GHADHM Cc1ccccc1C1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000826305788 608478918 /nfs/dbraw/zinc/47/89/18/608478918.db2.gz IKUWNLZKXWUCSV-UHFFFAOYSA-N -1 3 385.471 3.523 20 0 GHADHM Cc1ccccc1C1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000826305788 608478919 /nfs/dbraw/zinc/47/89/19/608478919.db2.gz IKUWNLZKXWUCSV-UHFFFAOYSA-N -1 3 385.471 3.523 20 0 GHADHM O=C(NOC1CCCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449944 608479679 /nfs/dbraw/zinc/47/96/79/608479679.db2.gz QARYSAIBHNYYOS-UHFFFAOYSA-N -1 3 380.408 3.655 20 0 GHADHM O=C(c1cccc(Cl)c1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473652 608481061 /nfs/dbraw/zinc/48/10/61/608481061.db2.gz HRYYSTIHTBTRDR-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1cccc(Cl)c1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473652 608481063 /nfs/dbraw/zinc/48/10/63/608481063.db2.gz HRYYSTIHTBTRDR-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825126123 608481594 /nfs/dbraw/zinc/48/15/94/608481594.db2.gz HJVQFWSNCPOIBZ-SFHVURJKSA-N -1 3 387.487 3.751 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825126123 608481596 /nfs/dbraw/zinc/48/15/96/608481596.db2.gz HJVQFWSNCPOIBZ-SFHVURJKSA-N -1 3 387.487 3.751 20 0 GHADHM COc1cccc(-c2nc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826213678 608486674 /nfs/dbraw/zinc/48/66/74/608486674.db2.gz GUSFSVXLXHEABI-CYBMUJFWSA-N -1 3 392.488 3.850 20 0 GHADHM O=C(c1cc(Cl)ccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470222 608487266 /nfs/dbraw/zinc/48/72/66/608487266.db2.gz IPXCEUNTIXBIRO-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1cc(Cl)ccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470222 608487267 /nfs/dbraw/zinc/48/72/67/608487267.db2.gz IPXCEUNTIXBIRO-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826305775 608490490 /nfs/dbraw/zinc/49/04/90/608490490.db2.gz IFBGPRBWRWGDRV-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826305775 608490492 /nfs/dbraw/zinc/49/04/92/608490492.db2.gz IFBGPRBWRWGDRV-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM C[C@@H](NCc1csc(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626467 608490940 /nfs/dbraw/zinc/49/09/40/608490940.db2.gz OQCCZMKDAGGCIA-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@@H](N[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824532890 608492017 /nfs/dbraw/zinc/49/20/17/608492017.db2.gz XSPOHKNHQRTSPI-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H]1CCc2sc(C(=O)Nc3nc4c(cc3-c3nnn[n-]3)CCCC4)cc2C1 ZINC000824966604 608570243 /nfs/dbraw/zinc/57/02/43/608570243.db2.gz CIKJZWPXROHXCA-LLVKDONJSA-N -1 3 394.504 3.579 20 0 GHADHM C[C@@H]1CCc2sc(C(=O)Nc3nc4c(cc3-c3nn[n-]n3)CCCC4)cc2C1 ZINC000824966604 608570245 /nfs/dbraw/zinc/57/02/45/608570245.db2.gz CIKJZWPXROHXCA-LLVKDONJSA-N -1 3 394.504 3.579 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000826460128 608571031 /nfs/dbraw/zinc/57/10/31/608571031.db2.gz NZYROQQQFGQTTP-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000826460128 608571033 /nfs/dbraw/zinc/57/10/33/608571033.db2.gz NZYROQQQFGQTTP-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824763589 608573123 /nfs/dbraw/zinc/57/31/23/608573123.db2.gz NTBPYDIVIYQPSD-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824763589 608573124 /nfs/dbraw/zinc/57/31/24/608573124.db2.gz NTBPYDIVIYQPSD-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM COc1ccc2cc(CNC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000826213358 608573343 /nfs/dbraw/zinc/57/33/43/608573343.db2.gz UVFHAXGQGMDXRS-UHFFFAOYSA-N -1 3 393.834 3.612 20 0 GHADHM COc1ccc2cc(CNC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000826213358 608573345 /nfs/dbraw/zinc/57/33/45/608573345.db2.gz UVFHAXGQGMDXRS-UHFFFAOYSA-N -1 3 393.834 3.612 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccn(C(F)F)n1 ZINC000826455402 608583126 /nfs/dbraw/zinc/58/31/26/608583126.db2.gz MOPRUUSRGWYBPU-UHFFFAOYSA-N -1 3 397.345 3.503 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccn(C(F)F)n1 ZINC000826455402 608583128 /nfs/dbraw/zinc/58/31/28/608583128.db2.gz MOPRUUSRGWYBPU-UHFFFAOYSA-N -1 3 397.345 3.503 20 0 GHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000825826138 608762761 /nfs/dbraw/zinc/76/27/61/608762761.db2.gz YMXKMKOZAGMUIP-UHFFFAOYSA-N -1 3 387.399 3.641 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826334282 608843629 /nfs/dbraw/zinc/84/36/29/608843629.db2.gz OWJGHKHDNYLLHA-AWEZNQCLSA-N -1 3 389.891 3.611 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826334282 608843631 /nfs/dbraw/zinc/84/36/31/608843631.db2.gz OWJGHKHDNYLLHA-AWEZNQCLSA-N -1 3 389.891 3.611 20 0 GHADHM CCCOc1ccc(Cl)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825339269 608859220 /nfs/dbraw/zinc/85/92/20/608859220.db2.gz UVMPOGJUCKFHQI-UHFFFAOYSA-N -1 3 383.843 3.569 20 0 GHADHM CCCOc1ccc(Cl)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825339269 608859225 /nfs/dbraw/zinc/85/92/25/608859225.db2.gz UVMPOGJUCKFHQI-UHFFFAOYSA-N -1 3 383.843 3.569 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826352616 608872334 /nfs/dbraw/zinc/87/23/34/608872334.db2.gz HYGHDGDUIXSIDP-QGZVFWFLSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826352616 608872336 /nfs/dbraw/zinc/87/23/36/608872336.db2.gz HYGHDGDUIXSIDP-QGZVFWFLSA-N -1 3 385.855 3.690 20 0 GHADHM C[C@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC12CCC2 ZINC000824956069 608882617 /nfs/dbraw/zinc/88/26/17/608882617.db2.gz PYUOGBXWOVEXAM-NSHDSACASA-N -1 3 376.917 3.729 20 0 GHADHM C[C@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC12CCC2 ZINC000824956069 608882619 /nfs/dbraw/zinc/88/26/19/608882619.db2.gz PYUOGBXWOVEXAM-NSHDSACASA-N -1 3 376.917 3.729 20 0 GHADHM C(=C/[C@@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)\c1ccccc1 ZINC000823862166 609149973 /nfs/dbraw/zinc/14/99/73/609149973.db2.gz ZHKOEZOQLDENLD-CVTTXWKISA-N -1 3 399.458 3.595 20 0 GHADHM C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539429 609155343 /nfs/dbraw/zinc/15/53/43/609155343.db2.gz NWIGRNUOCBKXBQ-XCLFUZPHSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539429 609155344 /nfs/dbraw/zinc/15/53/44/609155344.db2.gz NWIGRNUOCBKXBQ-XCLFUZPHSA-N -1 3 392.413 3.980 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccnc2Cl)c1-c1nnn[n-]1 ZINC000826233923 609168127 /nfs/dbraw/zinc/16/81/27/609168127.db2.gz AATMYHBYDLNSQT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccnc2Cl)c1-c1nn[n-]n1 ZINC000826233923 609168128 /nfs/dbraw/zinc/16/81/28/609168128.db2.gz AATMYHBYDLNSQT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478186 609178427 /nfs/dbraw/zinc/17/84/27/609178427.db2.gz WGJLDQPVEYSNQH-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478186 609178429 /nfs/dbraw/zinc/17/84/29/609178429.db2.gz WGJLDQPVEYSNQH-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477826 609179705 /nfs/dbraw/zinc/17/97/05/609179705.db2.gz MJOQUGHOJJDHRF-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477826 609179707 /nfs/dbraw/zinc/17/97/07/609179707.db2.gz MJOQUGHOJJDHRF-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM CCc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)s1 ZINC000825705155 609242419 /nfs/dbraw/zinc/24/24/19/609242419.db2.gz XGANWZPNDPUSAY-ZDUSSCGKSA-N -1 3 398.536 3.625 20 0 GHADHM CCc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)s1 ZINC000825705155 609242421 /nfs/dbraw/zinc/24/24/21/609242421.db2.gz XGANWZPNDPUSAY-ZDUSSCGKSA-N -1 3 398.536 3.625 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824992654 609276137 /nfs/dbraw/zinc/27/61/37/609276137.db2.gz NLJQTPBTFBVDGT-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824992654 609276138 /nfs/dbraw/zinc/27/61/38/609276138.db2.gz NLJQTPBTFBVDGT-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824649922 609277435 /nfs/dbraw/zinc/27/74/35/609277435.db2.gz OIIXZJLIINUDEH-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824649922 609277436 /nfs/dbraw/zinc/27/74/36/609277436.db2.gz OIIXZJLIINUDEH-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@]1(C)CCCOC1 ZINC000826271710 609281209 /nfs/dbraw/zinc/28/12/09/609281209.db2.gz DMMMOSKEDLCPME-NRFANRHFSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@]1(C)CCCOC1 ZINC000826271710 609281212 /nfs/dbraw/zinc/28/12/12/609281212.db2.gz DMMMOSKEDLCPME-NRFANRHFSA-N -1 3 393.447 3.723 20 0 GHADHM FC(F)Oc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)cc1 ZINC000826369942 609297576 /nfs/dbraw/zinc/29/75/76/609297576.db2.gz WGRUJFOOLVANQD-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)cc1 ZINC000826369942 609297577 /nfs/dbraw/zinc/29/75/77/609297577.db2.gz WGRUJFOOLVANQD-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457388 609298817 /nfs/dbraw/zinc/29/88/17/609298817.db2.gz ZHTVFTMESQRNTR-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457388 609298819 /nfs/dbraw/zinc/29/88/19/609298819.db2.gz ZHTVFTMESQRNTR-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000826472704 609300832 /nfs/dbraw/zinc/30/08/32/609300832.db2.gz UPIPACLLBXKMSB-UHFFFAOYSA-N -1 3 385.830 3.507 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000826472704 609300834 /nfs/dbraw/zinc/30/08/34/609300834.db2.gz UPIPACLLBXKMSB-UHFFFAOYSA-N -1 3 385.830 3.507 20 0 GHADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457090 609301974 /nfs/dbraw/zinc/30/19/74/609301974.db2.gz LJCWTIBAUYTGLR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457090 609301976 /nfs/dbraw/zinc/30/19/76/609301976.db2.gz LJCWTIBAUYTGLR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(NCCc1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826439575 609303427 /nfs/dbraw/zinc/30/34/27/609303427.db2.gz AHYOVPRXURVQKD-UHFFFAOYSA-N -1 3 385.427 3.632 20 0 GHADHM O=C(NCCc1ccccc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826439575 609303429 /nfs/dbraw/zinc/30/34/29/609303429.db2.gz AHYOVPRXURVQKD-UHFFFAOYSA-N -1 3 385.427 3.632 20 0 GHADHM Cc1nc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)sc1C ZINC000826327131 609305957 /nfs/dbraw/zinc/30/59/57/609305957.db2.gz UDOSORQEYYXNIP-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)sc1C ZINC000826327131 609305960 /nfs/dbraw/zinc/30/59/60/609305960.db2.gz UDOSORQEYYXNIP-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825076109 609312559 /nfs/dbraw/zinc/31/25/59/609312559.db2.gz SVSXTEDCAVILRT-DZGCQCFKSA-N -1 3 381.484 3.566 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825076109 609312560 /nfs/dbraw/zinc/31/25/60/609312560.db2.gz SVSXTEDCAVILRT-DZGCQCFKSA-N -1 3 381.484 3.566 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)COC(C)(C)C ZINC000826268690 609313450 /nfs/dbraw/zinc/31/34/50/609313450.db2.gz JJAHIQPMUYLPNI-UHFFFAOYSA-N -1 3 397.454 3.663 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)COC(C)(C)C ZINC000826268690 609313452 /nfs/dbraw/zinc/31/34/52/609313452.db2.gz JJAHIQPMUYLPNI-UHFFFAOYSA-N -1 3 397.454 3.663 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825674899 609325136 /nfs/dbraw/zinc/32/51/36/609325136.db2.gz UMEMZDWEPNETCB-AWEZNQCLSA-N -1 3 397.504 3.921 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825674899 609325138 /nfs/dbraw/zinc/32/51/38/609325138.db2.gz UMEMZDWEPNETCB-AWEZNQCLSA-N -1 3 397.504 3.921 20 0 GHADHM O=C(Nc1cccc(Cl)n1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826456458 609326489 /nfs/dbraw/zinc/32/64/89/609326489.db2.gz FUKCQXDZYQELHJ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(Cl)n1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826456458 609326490 /nfs/dbraw/zinc/32/64/90/609326490.db2.gz FUKCQXDZYQELHJ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCc1ncsc1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825755348 609331536 /nfs/dbraw/zinc/33/15/36/609331536.db2.gz VAPLCPPOTFLNEV-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncsc1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825755348 609331538 /nfs/dbraw/zinc/33/15/38/609331538.db2.gz VAPLCPPOTFLNEV-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM Cc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000826273719 609338894 /nfs/dbraw/zinc/33/88/94/609338894.db2.gz QUNFSWPHTUJUNC-CYBMUJFWSA-N -1 3 378.411 3.820 20 0 GHADHM Cc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000826273719 609338896 /nfs/dbraw/zinc/33/88/96/609338896.db2.gz QUNFSWPHTUJUNC-CYBMUJFWSA-N -1 3 378.411 3.820 20 0 GHADHM C[C@H](NCc1sccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824633369 609341341 /nfs/dbraw/zinc/34/13/41/609341341.db2.gz LVEGHDJHTUPNMA-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@H](NCc1sccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824633369 609341342 /nfs/dbraw/zinc/34/13/42/609341342.db2.gz LVEGHDJHTUPNMA-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM CCOc1cc(Cl)ccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825615752 609344218 /nfs/dbraw/zinc/34/42/18/609344218.db2.gz JHPMFSYXRYBFMS-LLVKDONJSA-N -1 3 375.835 3.909 20 0 GHADHM CCOc1cc(Cl)ccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825615752 609344220 /nfs/dbraw/zinc/34/42/20/609344220.db2.gz JHPMFSYXRYBFMS-LLVKDONJSA-N -1 3 375.835 3.909 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1F ZINC000826242450 609349945 /nfs/dbraw/zinc/34/99/45/609349945.db2.gz PGXQWGRBQZRHPF-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1F ZINC000826242450 609349946 /nfs/dbraw/zinc/34/99/46/609349946.db2.gz PGXQWGRBQZRHPF-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CCO1 ZINC000825183775 609370310 /nfs/dbraw/zinc/37/03/10/609370310.db2.gz PSPGDAAHRXSANS-RWMBFGLXSA-N -1 3 389.525 3.587 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CCO1 ZINC000825183775 609370313 /nfs/dbraw/zinc/37/03/13/609370313.db2.gz PSPGDAAHRXSANS-RWMBFGLXSA-N -1 3 389.525 3.587 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825106589 609378625 /nfs/dbraw/zinc/37/86/25/609378625.db2.gz GCMBBEKFQXEBRP-BBRMVZONSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825106589 609378628 /nfs/dbraw/zinc/37/86/28/609378628.db2.gz GCMBBEKFQXEBRP-BBRMVZONSA-N -1 3 392.891 3.625 20 0 GHADHM O=[S@](CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826496013 609453728 /nfs/dbraw/zinc/45/37/28/609453728.db2.gz IPJDZJAKMCJUIF-AREMUKBSSA-N -1 3 398.435 3.785 20 0 GHADHM O=[S@](CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826496013 609453729 /nfs/dbraw/zinc/45/37/29/609453729.db2.gz IPJDZJAKMCJUIF-AREMUKBSSA-N -1 3 398.435 3.785 20 0 GHADHM C[C@@H](NC(=O)NC1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499885 609454569 /nfs/dbraw/zinc/45/45/69/609454569.db2.gz RVVOWKVENPHDQU-CQSZACIVSA-N -1 3 376.464 3.837 20 0 GHADHM C[C@@H](NC(=O)NC1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499885 609454571 /nfs/dbraw/zinc/45/45/71/609454571.db2.gz RVVOWKVENPHDQU-CQSZACIVSA-N -1 3 376.464 3.837 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1csc(-c2ccccn2)n1 ZINC000824324203 609478112 /nfs/dbraw/zinc/47/81/12/609478112.db2.gz JIKXMKGXYQWFBB-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccccn2)n1 ZINC000824324203 609478114 /nfs/dbraw/zinc/47/81/14/609478114.db2.gz JIKXMKGXYQWFBB-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cnc(-c2ccncc2)s1 ZINC000824325005 609478637 /nfs/dbraw/zinc/47/86/37/609478637.db2.gz YAFIFGZDGOLRNJ-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccncc2)s1 ZINC000824325005 609478638 /nfs/dbraw/zinc/47/86/38/609478638.db2.gz YAFIFGZDGOLRNJ-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM C[C@H]1C[C@H](CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824885862 609482661 /nfs/dbraw/zinc/48/26/61/609482661.db2.gz UICDGUAAFCFVRV-LSDHHAIUSA-N -1 3 397.454 3.812 20 0 GHADHM C[C@H]1C[C@H](CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824885862 609482664 /nfs/dbraw/zinc/48/26/64/609482664.db2.gz UICDGUAAFCFVRV-LSDHHAIUSA-N -1 3 397.454 3.812 20 0 GHADHM CC(C)Oc1ccc(NCc2cc(F)cc3cccnc32)cc1-c1nnn[n-]1 ZINC000824329137 609489904 /nfs/dbraw/zinc/48/99/04/609489904.db2.gz JPTSAYUKRFKCJV-UHFFFAOYSA-N -1 3 378.411 3.953 20 0 GHADHM CC(C)Oc1ccc(NCc2cc(F)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000824329137 609489907 /nfs/dbraw/zinc/48/99/07/609489907.db2.gz JPTSAYUKRFKCJV-UHFFFAOYSA-N -1 3 378.411 3.953 20 0 GHADHM CC(C)Oc1ccc(NCc2cc(-c3ccccc3)n[nH]2)cc1-c1nnn[n-]1 ZINC000824329598 609490246 /nfs/dbraw/zinc/49/02/46/609490246.db2.gz SBZASTLQQXFHJI-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM CC(C)Oc1ccc(NCc2cc(-c3ccccc3)n[nH]2)cc1-c1nn[n-]n1 ZINC000824329598 609490248 /nfs/dbraw/zinc/49/02/48/609490248.db2.gz SBZASTLQQXFHJI-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000824309477 609501924 /nfs/dbraw/zinc/50/19/24/609501924.db2.gz QDQFEFPIOSNDRZ-UHFFFAOYSA-N -1 3 399.426 3.942 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000824309477 609501925 /nfs/dbraw/zinc/50/19/25/609501925.db2.gz QDQFEFPIOSNDRZ-UHFFFAOYSA-N -1 3 399.426 3.942 20 0 GHADHM Fc1cccc(F)c1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000826377598 609511359 /nfs/dbraw/zinc/51/13/59/609511359.db2.gz YIXLJWIYPJCBRY-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM FC(F)Oc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826369537 609513783 /nfs/dbraw/zinc/51/37/83/609513783.db2.gz HBLXOWBKLMGSEY-UHFFFAOYSA-N -1 3 381.770 3.612 20 0 GHADHM FC(F)Oc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826369537 609513784 /nfs/dbraw/zinc/51/37/84/609513784.db2.gz HBLXOWBKLMGSEY-UHFFFAOYSA-N -1 3 381.770 3.612 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccc(C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367539 609523626 /nfs/dbraw/zinc/52/36/26/609523626.db2.gz SEGXJEGMUOEYAS-AWEZNQCLSA-N -1 3 385.418 3.877 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccc(C)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367539 609523629 /nfs/dbraw/zinc/52/36/29/609523629.db2.gz SEGXJEGMUOEYAS-AWEZNQCLSA-N -1 3 385.418 3.877 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000825182914 609555368 /nfs/dbraw/zinc/55/53/68/609555368.db2.gz MLUKRBLKUUPAEC-RDJZCZTQSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000825182914 609555370 /nfs/dbraw/zinc/55/53/70/609555370.db2.gz MLUKRBLKUUPAEC-RDJZCZTQSA-N -1 3 393.447 3.803 20 0 GHADHM COc1ccc(C2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826190584 609565909 /nfs/dbraw/zinc/56/59/09/609565909.db2.gz GHOHYPCPDRMLGG-UHFFFAOYSA-N -1 3 384.871 3.616 20 0 GHADHM COc1ccc(C2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826190584 609565911 /nfs/dbraw/zinc/56/59/11/609565911.db2.gz GHOHYPCPDRMLGG-UHFFFAOYSA-N -1 3 384.871 3.616 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3nccc(C)c3-c3nnn[n-]3)n2)c1 ZINC000826295648 609570582 /nfs/dbraw/zinc/57/05/82/609570582.db2.gz REKBSZCLOMKPKR-QGZVFWFLSA-N -1 3 386.463 3.610 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3nccc(C)c3-c3nn[n-]n3)n2)c1 ZINC000826295648 609570584 /nfs/dbraw/zinc/57/05/84/609570584.db2.gz REKBSZCLOMKPKR-QGZVFWFLSA-N -1 3 386.463 3.610 20 0 GHADHM Fc1cccc([C@H](NCc2ccc(-c3nnn[n-]3)cc2F)C(F)(F)F)c1F ZINC000826371320 609608555 /nfs/dbraw/zinc/60/85/55/609608555.db2.gz BORUYLXZNMNSFY-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@H](NCc2ccc(-c3nn[n-]n3)cc2F)C(F)(F)F)c1F ZINC000826371320 609608557 /nfs/dbraw/zinc/60/85/57/609608557.db2.gz BORUYLXZNMNSFY-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@H](NCc2ccc(F)c(-c3nnn[n-]3)c2)C(F)(F)F)c1F ZINC000826374514 609608743 /nfs/dbraw/zinc/60/87/43/609608743.db2.gz BTWPNKBKLNSSBO-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@H](NCc2ccc(F)c(-c3nn[n-]n3)c2)C(F)(F)F)c1F ZINC000826374514 609608746 /nfs/dbraw/zinc/60/87/46/609608746.db2.gz BTWPNKBKLNSSBO-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824051737 609614462 /nfs/dbraw/zinc/61/44/62/609614462.db2.gz CQOWLYISCGNQSK-SECBINFHSA-N -1 3 378.766 3.645 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824051737 609614464 /nfs/dbraw/zinc/61/44/64/609614464.db2.gz CQOWLYISCGNQSK-SECBINFHSA-N -1 3 378.766 3.645 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826465170 609619214 /nfs/dbraw/zinc/61/92/14/609619214.db2.gz AZZNCWFWYQSYSX-ONGXEEELSA-N -1 3 388.777 3.932 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000826465170 609619217 /nfs/dbraw/zinc/61/92/17/609619217.db2.gz AZZNCWFWYQSYSX-ONGXEEELSA-N -1 3 388.777 3.932 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(-c2cnco2)cc1 ZINC000826465695 609619574 /nfs/dbraw/zinc/61/95/74/609619574.db2.gz XWVLVTIMNCOQGF-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(-c2cnco2)cc1 ZINC000826465695 609619575 /nfs/dbraw/zinc/61/95/75/609619575.db2.gz XWVLVTIMNCOQGF-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000187269037 837674642 /nfs/dbraw/zinc/67/46/42/837674642.db2.gz VSJYXHNHEZGVHI-LBPRGKRZSA-N -1 3 397.866 3.878 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(CCC(F)(F)F)cc1 ZINC000636321229 837712053 /nfs/dbraw/zinc/71/20/53/837712053.db2.gz YSKZOCMWJUQKLK-UHFFFAOYSA-N -1 3 379.382 3.875 20 0 GHADHM O=S(=O)(c1ccc(NCc2ccc([O-])c(Br)c2)cc1)C(F)F ZINC000301148936 837755359 /nfs/dbraw/zinc/75/53/59/837755359.db2.gz LNSJXWHNLOYJTN-UHFFFAOYSA-N -1 3 392.221 3.763 20 0 GHADHM CC1(CC(F)(F)F)CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000458561503 834501650 /nfs/dbraw/zinc/50/16/50/834501650.db2.gz XLQFIXHAMBYVMT-UHFFFAOYSA-N -1 3 381.192 3.639 20 0 GHADHM CN(Cc1ccccc1)c1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278285964 834522105 /nfs/dbraw/zinc/52/21/05/834522105.db2.gz VYKYUQNCEJUMEA-MRXNPFEDSA-N -1 3 377.366 3.700 20 0 GHADHM C[S@@](=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000175279691 834540550 /nfs/dbraw/zinc/54/05/50/834540550.db2.gz DOYHODVJBFJQMI-HHHXNRCGSA-N -1 3 379.481 3.650 20 0 GHADHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1coc(CNC(=O)OC(C)(C)C)c1 ZINC000187235081 834548279 /nfs/dbraw/zinc/54/82/79/834548279.db2.gz INZJMSITOLJPBL-OAHLLOKOSA-N -1 3 394.431 3.681 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCCc2ccccc21 ZINC000044818963 834689876 /nfs/dbraw/zinc/68/98/76/834689876.db2.gz QZJHCNLVBLKDEO-UHFFFAOYSA-N -1 3 399.447 3.548 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000654927438 834805173 /nfs/dbraw/zinc/80/51/73/834805173.db2.gz LTGWTHJHMNQLNL-OAHLLOKOSA-N -1 3 390.277 3.900 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(-c4coc(C5CC5)n4)n3)n[n-]2)c1 ZINC000685384297 834967696 /nfs/dbraw/zinc/96/76/96/834967696.db2.gz CFZZFHQDTXSFPA-UHFFFAOYSA-N -1 3 399.208 3.817 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)c(Cl)cc1F ZINC000511285895 834995470 /nfs/dbraw/zinc/99/54/70/834995470.db2.gz NKRKOVWIWDKHPR-UHFFFAOYSA-N -1 3 386.583 3.703 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c(C)c1C ZINC000583834086 835112747 /nfs/dbraw/zinc/11/27/47/835112747.db2.gz RVCHJHHGYORXCM-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM CCCN1CCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c2cc(F)ccc21 ZINC000655089897 835124282 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20 0 GHADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212493 838927177 /nfs/dbraw/zinc/92/71/77/838927177.db2.gz BXDMILKEOSFNEY-VIFPVBQESA-N -1 3 384.288 3.949 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000312717659 838968721 /nfs/dbraw/zinc/96/87/21/838968721.db2.gz ICTNLUKJFOQYOS-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM CCOCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047065223 839043915 /nfs/dbraw/zinc/04/39/15/839043915.db2.gz KIEBQBLRVWPUFN-UHFFFAOYSA-N -1 3 376.478 3.551 20 0 GHADHM [O-]c1cccc(Nc2ncc(I)nc2Cl)c1Cl ZINC001210851544 839115945 /nfs/dbraw/zinc/11/59/45/839115945.db2.gz BNPVHAAYHKYCFG-UHFFFAOYSA-N -1 3 381.988 3.837 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000048244301 844405168 /nfs/dbraw/zinc/40/51/68/844405168.db2.gz STMFRMLBCKQLQB-UHFFFAOYSA-N -1 3 382.869 3.508 20 0 GHADHM COc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3[O-])sc2C)cc1 ZINC000022258555 839370814 /nfs/dbraw/zinc/37/08/14/839370814.db2.gz 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CCC[C@H](C)C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000417568010 841018240 /nfs/dbraw/zinc/01/82/40/841018240.db2.gz SQZHTBIRBIHOQP-SWLSCSKDSA-N -1 3 376.478 3.908 20 0 GHADHM COc1ccc(Br)c(CNCCCc2nc(C)c(C(=O)[O-])s2)c1 ZINC000277064182 844599461 /nfs/dbraw/zinc/59/94/61/844599461.db2.gz UOJWCCLQVFUPDC-UHFFFAOYSA-N -1 3 399.310 3.643 20 0 GHADHM O=C([O-])[C@H](CC1CC1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000417600790 841056681 /nfs/dbraw/zinc/05/66/81/841056681.db2.gz GYRFKWQEKDHTNP-AWEZNQCLSA-N -1 3 381.295 3.916 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cc(C(F)(F)F)ccc1Br)C(F)F ZINC000417633231 841072298 /nfs/dbraw/zinc/07/22/98/841072298.db2.gz ZKXBPVSLXUZOAH-QMMMGPOBSA-N -1 3 390.146 3.914 20 0 GHADHM CC(C)(C)c1nc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])cs1 ZINC000417635722 841074177 /nfs/dbraw/zinc/07/41/77/841074177.db2.gz WTDAJDWAVRUXJS-CQSZACIVSA-N -1 3 397.338 3.989 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000417626661 841077775 /nfs/dbraw/zinc/07/77/75/841077775.db2.gz 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861287075 /nfs/dbraw/zinc/28/70/75/861287075.db2.gz DORIAXCUAGSNNM-UHFFFAOYSA-N -1 3 399.818 3.528 20 0 GHADHM CCN1CCN(Cc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)CC1 ZINC000184259774 842243929 /nfs/dbraw/zinc/24/39/29/842243929.db2.gz BXLWKEBFNPCCBC-UHFFFAOYSA-N -1 3 391.874 3.575 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000656914171 842284511 /nfs/dbraw/zinc/28/45/11/842284511.db2.gz LQAMNOCATHXBKY-UHFFFAOYSA-N -1 3 388.795 3.574 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000730809540 861297261 /nfs/dbraw/zinc/29/72/61/861297261.db2.gz RSNYCSAITDGFMW-JTQLQIEISA-N -1 3 382.295 3.700 20 0 GHADHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000471792032 842546425 /nfs/dbraw/zinc/54/64/25/842546425.db2.gz YNJAJTHZYYFPQN-UHFFFAOYSA-N -1 3 387.436 3.517 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000432464695 842586286 /nfs/dbraw/zinc/58/62/86/842586286.db2.gz MYHXBPOJVZWGFU-MRXNPFEDSA-N -1 3 380.897 3.834 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c(Cl)cc1F ZINC000432466933 842593116 /nfs/dbraw/zinc/59/31/16/842593116.db2.gz VKRHIRGUPBAWAF-MRXNPFEDSA-N -1 3 398.887 3.974 20 0 GHADHM CN1CCO[C@@H]([C@@H](NCc2cccc(Cl)c2[O-])c2ccc(Cl)cc2)C1 ZINC000245901202 842622806 /nfs/dbraw/zinc/62/28/06/842622806.db2.gz NVSTWTDGJVJBDJ-MSOLQXFVSA-N -1 3 381.303 3.861 20 0 GHADHM COC(=O)CCC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000531474666 842810100 /nfs/dbraw/zinc/81/01/00/842810100.db2.gz HTEQWHNITMWDSZ-UHFFFAOYSA-N -1 3 381.472 3.788 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccc(C)c(C)c1 ZINC000581956652 842812523 /nfs/dbraw/zinc/81/25/23/842812523.db2.gz WYPQJFZHJDIRBZ-KRWDZBQOSA-N -1 3 397.443 3.575 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)Cc3cnc4ccccc4n3)cc2)n1 ZINC000549641492 842867467 /nfs/dbraw/zinc/86/74/67/842867467.db2.gz RFQVKCQMXCTRKV-AWEZNQCLSA-N -1 3 399.454 3.506 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1cccc2ncccc21 ZINC000187121618 842902778 /nfs/dbraw/zinc/90/27/78/842902778.db2.gz CPIGJSJSXFYHQB-UHFFFAOYSA-N -1 3 399.541 3.584 20 0 GHADHM O=C([N-][C@H]1CCCCC12OCCO2)C(F)(F)c1cccc(Cl)c1Cl ZINC001266905575 843250270 /nfs/dbraw/zinc/25/02/70/843250270.db2.gz VHMRUVHHWBRTTD-LBPRGKRZSA-N -1 3 380.218 3.887 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000091811074 843420030 /nfs/dbraw/zinc/42/00/30/843420030.db2.gz UJZPHJPXKSRBQK-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000091924927 843468862 /nfs/dbraw/zinc/46/88/62/843468862.db2.gz PWGKHIJKXWORPG-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=S(=O)([N-]CCCCOCc1ccccc1)c1ccc(Cl)nc1Cl ZINC000171095689 861420411 /nfs/dbraw/zinc/42/04/11/861420411.db2.gz BMRIIPJLCHSNRF-UHFFFAOYSA-N -1 3 389.304 3.664 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000120698276 843547002 /nfs/dbraw/zinc/54/70/02/843547002.db2.gz GZTLQAOLEFRDKU-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000120698276 843547012 /nfs/dbraw/zinc/54/70/12/843547012.db2.gz GZTLQAOLEFRDKU-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(CCCCC(=O)c1ccccc1)Nc1ncc([O-])cc1Br ZINC001143526578 843593461 /nfs/dbraw/zinc/59/34/61/843593461.db2.gz ZXESJHWGOGPLDV-UHFFFAOYSA-N -1 3 377.238 3.932 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000500533779 843605760 /nfs/dbraw/zinc/60/57/60/843605760.db2.gz VCBFOCPJTUACCD-HXUWFJFHSA-N -1 3 398.484 3.684 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)C)c(Cl)cc1Cl ZINC000023977685 843646437 /nfs/dbraw/zinc/64/64/37/843646437.db2.gz BPTDIOPQXGFKLV-LLVKDONJSA-N -1 3 395.352 3.846 20 0 GHADHM COC(=O)c1cnc(C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)s1 ZINC000600275866 861448676 /nfs/dbraw/zinc/44/86/76/861448676.db2.gz MMMDHSMCOINEJD-UHFFFAOYSA-N -1 3 388.489 3.779 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431143375 843682045 /nfs/dbraw/zinc/68/20/45/843682045.db2.gz JITBPANJFKGZDI-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1Cl ZINC000431174290 843775125 /nfs/dbraw/zinc/77/51/25/843775125.db2.gz AUFQRNHMPIWQRR-UHFFFAOYSA-N -1 3 382.800 3.548 20 0 GHADHM COc1ccc(OCc2nc(CNC[C@H](CC(=O)[O-])CC(C)C)cs2)cc1 ZINC000276933816 843813506 /nfs/dbraw/zinc/81/35/06/843813506.db2.gz BYGQJBDWMUNSEA-HNNXBMFYSA-N -1 3 392.521 3.957 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1Cl ZINC000431183838 843829568 /nfs/dbraw/zinc/82/95/68/843829568.db2.gz YUQZQGHECMCVMM-UHFFFAOYSA-N -1 3 395.864 3.641 20 0 GHADHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000433299428 843986366 /nfs/dbraw/zinc/98/63/66/843986366.db2.gz BSDSKWCXMXCAGU-UHFFFAOYSA-N -1 3 386.757 3.898 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cc1F ZINC000610879258 844735347 /nfs/dbraw/zinc/73/53/47/844735347.db2.gz WXZNTPKNZDHMSA-UHFFFAOYSA-N -1 3 389.433 3.867 20 0 GHADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1c(C)cccc1[O-] ZINC000623724997 861494231 /nfs/dbraw/zinc/49/42/31/861494231.db2.gz FHUKWQPYFCMMJM-UHFFFAOYSA-N -1 3 380.366 3.609 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000668556401 844762021 /nfs/dbraw/zinc/76/20/21/844762021.db2.gz SZLNVNIHNHWZOQ-INIZCTEOSA-N -1 3 390.892 3.645 20 0 GHADHM CSc1nc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n[n-]1 ZINC000729353129 844874900 /nfs/dbraw/zinc/87/49/00/844874900.db2.gz ZQSFEHSJULCCOA-CYBMUJFWSA-N -1 3 391.497 3.511 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(C)(C)C)ccc1F ZINC000729402475 844934764 /nfs/dbraw/zinc/93/47/64/844934764.db2.gz QTARDMVMZSDQFR-INIZCTEOSA-N -1 3 384.517 3.553 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563607280 844991046 /nfs/dbraw/zinc/99/10/46/844991046.db2.gz VVPSPXIHASXAAK-MAUKXSAKSA-N -1 3 395.931 3.619 20 0 GHADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000481496620 861522944 /nfs/dbraw/zinc/52/29/44/861522944.db2.gz VGGAFYPZLNJAAT-SNVBAGLBSA-N -1 3 398.750 3.568 20 0 GHADHM C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cccc([O-])c1Cl ZINC000512687772 845035556 /nfs/dbraw/zinc/03/55/56/845035556.db2.gz XAGVYSCYWRPFCR-AWEZNQCLSA-N -1 3 394.924 3.779 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(Cl)s1 ZINC000481497577 861546141 /nfs/dbraw/zinc/54/61/41/861546141.db2.gz VVYCQJDZNULYPE-SECBINFHSA-N -1 3 386.709 3.720 20 0 GHADHM O=c1[n-]c(SCCO[C@H]2CC2(F)F)nc2c1cnn2-c1cccc(Cl)c1 ZINC000657240815 845322773 /nfs/dbraw/zinc/32/27/73/845322773.db2.gz IETPTJRAHXCQOD-LBPRGKRZSA-N -1 3 398.822 3.691 20 0 GHADHM Cc1nnc([C@@H]2CCCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[nH]1 ZINC000411398015 845385477 /nfs/dbraw/zinc/38/54/77/845385477.db2.gz NOUHNHPCLHYFDJ-ZDUSSCGKSA-N -1 3 396.476 3.811 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)o1 ZINC000433863136 845504736 /nfs/dbraw/zinc/50/47/36/845504736.db2.gz DJHNOEMOPZMOJS-MRXNPFEDSA-N -1 3 381.494 3.694 20 0 GHADHM C[C@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469106741 845539462 /nfs/dbraw/zinc/53/94/62/845539462.db2.gz ZOZNXZQFSFLCJP-VIFPVBQESA-N -1 3 383.673 3.816 20 0 GHADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC ZINC000255446078 845542449 /nfs/dbraw/zinc/54/24/49/845542449.db2.gz LAHIJFROJGOPME-WZUFQYTHSA-N -1 3 391.427 3.827 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2cccs2)c1 ZINC000179499449 861604054 /nfs/dbraw/zinc/60/40/54/861604054.db2.gz UORUQLYPPJDYRB-UHFFFAOYSA-N -1 3 399.472 3.710 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000472108057 845917244 /nfs/dbraw/zinc/91/72/44/845917244.db2.gz KSZYZLPZXCLXGO-OAHLLOKOSA-N -1 3 379.384 3.822 20 0 GHADHM C[C@H]1C[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C[C@@H](C)C1 ZINC000421680192 846482473 /nfs/dbraw/zinc/48/24/73/846482473.db2.gz AYOCOLDRXNVBIR-MYJAWHEDSA-N -1 3 382.224 3.641 20 0 GHADHM Cc1oc(C(C)C)cc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681515 846484491 /nfs/dbraw/zinc/48/44/91/846484491.db2.gz XXTNXOAFZLPJLX-UHFFFAOYSA-N -1 3 394.191 3.907 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161171584 846602218 /nfs/dbraw/zinc/60/22/18/846602218.db2.gz HOUKGKDIKGZTBW-GOSISDBHSA-N -1 3 375.472 3.941 20 0 GHADHM CC1(C)CC(C)(C)c2cc(NC(=O)c3cncc([N-]S(C)(=O)=O)c3)ccc21 ZINC000502902833 846615181 /nfs/dbraw/zinc/61/51/81/846615181.db2.gz DZRUORIHSDZHJY-UHFFFAOYSA-N -1 3 387.505 3.664 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419605042 846670441 /nfs/dbraw/zinc/67/04/41/846670441.db2.gz OZVJRUMCPIGYMP-UHFFFAOYSA-N -1 3 393.896 3.902 20 0 GHADHM COC(=O)[C@H](CNC(=O)CC[C@H](C)c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422049407 846781429 /nfs/dbraw/zinc/78/14/29/846781429.db2.gz WVXVKUIKLYATFF-YJBOKZPZSA-N -1 3 387.451 3.563 20 0 GHADHM COC(=O)[C@@H](CNC(=O)CC1CC(c2ccccc2)C1)Cc1ccc([O-])c(F)c1 ZINC000422052134 846783106 /nfs/dbraw/zinc/78/31/06/846783106.db2.gz ZQOZKRVMMOIPMG-NKELODKYSA-N -1 3 399.462 3.563 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC000501337720 846856295 /nfs/dbraw/zinc/85/62/95/846856295.db2.gz QVFAVLZMYXOSOM-UHFFFAOYSA-N -1 3 386.926 3.559 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)NC[C@@H](c2cccs2)N2CCCC2)s1 ZINC000503161790 846859616 /nfs/dbraw/zinc/85/96/16/846859616.db2.gz VYEPUGYYXFHDFK-AWEZNQCLSA-N -1 3 393.582 3.713 20 0 GHADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000755113615 846865463 /nfs/dbraw/zinc/86/54/63/846865463.db2.gz LWYMHCQNEFUTEF-RKDXNWHRSA-N -1 3 384.748 3.665 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](O)(CC)CCC(F)(F)F)nc2)n1 ZINC000896808190 861732224 /nfs/dbraw/zinc/73/22/24/861732224.db2.gz ULJLUNLFZXQECA-KRWDZBQOSA-N -1 3 384.402 3.702 20 0 GHADHM COc1ccc2c(c1)[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)CCC2 ZINC000272060078 846982325 /nfs/dbraw/zinc/98/23/25/846982325.db2.gz ITEGSWOLIDXPOH-QGZVFWFLSA-N -1 3 376.478 3.565 20 0 GHADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 ZINC000272065119 846982856 /nfs/dbraw/zinc/98/28/56/846982856.db2.gz JMTGAFGXKLBLKL-HNNXBMFYSA-N -1 3 394.493 3.647 20 0 GHADHM CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000277596548 847234262 /nfs/dbraw/zinc/23/42/62/847234262.db2.gz GNSPEVOYZCVDQJ-UHFFFAOYSA-N -1 3 380.901 3.527 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2ccccc2)c2ccncc2)cc1 ZINC000731628605 861771815 /nfs/dbraw/zinc/77/18/15/861771815.db2.gz DCCCOHXGDQKQQM-LJQANCHMSA-N -1 3 382.366 3.772 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)c(C)c1 ZINC000007374185 861796102 /nfs/dbraw/zinc/79/61/02/861796102.db2.gz OBPGRNZAVFBTHL-UHFFFAOYSA-N -1 3 394.471 3.803 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1cccc(Cl)c1C)Cc1ccc([O-])c(F)c1 ZINC000421043037 847658085 /nfs/dbraw/zinc/65/80/85/847658085.db2.gz ZZBWRKPQBHFTKX-ZDUSSCGKSA-N -1 3 394.830 3.647 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000421154984 847789319 /nfs/dbraw/zinc/78/93/19/847789319.db2.gz NJFFMSVYFKPVIM-SECBINFHSA-N -1 3 386.258 3.530 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)COc3c(F)cccc3F)nc2)n1 ZINC000664325409 847792176 /nfs/dbraw/zinc/79/21/76/847792176.db2.gz LLNRJENFTYJFEV-LBPRGKRZSA-N -1 3 386.402 3.964 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1OC(F)F ZINC000502359127 847796280 /nfs/dbraw/zinc/79/62/80/847796280.db2.gz GUTPPDPLASPJLI-MRVPVSSYSA-N -1 3 381.322 3.745 20 0 GHADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000503809480 847941920 /nfs/dbraw/zinc/94/19/20/847941920.db2.gz FVZDLCMCDOERRB-UHFFFAOYSA-N -1 3 379.881 3.660 20 0 GHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc([C@H]4CCCc5ccccc54)s3)c2n1 ZINC000582659341 847957071 /nfs/dbraw/zinc/95/70/71/847957071.db2.gz ZGGXUUQVWZECJH-HNNXBMFYSA-N -1 3 390.472 3.610 20 0 GHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2Cl)CC1 ZINC000025372142 848037635 /nfs/dbraw/zinc/03/76/35/848037635.db2.gz JRGGCOCTPYWGCT-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc([O-])ccc1Cl ZINC000481624659 861883335 /nfs/dbraw/zinc/88/33/35/861883335.db2.gz LDHRPAPFEUKBBA-LBPRGKRZSA-N -1 3 387.785 3.645 20 0 GHADHM CC(C)n1cc(Cl)c(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000889550510 848488886 /nfs/dbraw/zinc/48/88/86/848488886.db2.gz IGVDVABGCHMQRT-UHFFFAOYSA-N -1 3 387.665 3.907 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000673842950 861970725 /nfs/dbraw/zinc/97/07/25/861970725.db2.gz METTVBDRESXDAY-MFKMUULPSA-N -1 3 377.847 3.867 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C)C(C)(C)C3)nc(=O)c2c1C ZINC000583114512 849094416 /nfs/dbraw/zinc/09/44/16/849094416.db2.gz PIDWPIOAUWIUGT-YPMHNXCESA-N -1 3 391.537 3.899 20 0 GHADHM Cc1cccc([C@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1C ZINC000426736376 849131077 /nfs/dbraw/zinc/13/10/77/849131077.db2.gz XOGALPUJNGXMNQ-INIZCTEOSA-N -1 3 392.249 3.710 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(Br)c2cccnc12)c1ccsc1 ZINC000426782956 849164506 /nfs/dbraw/zinc/16/45/06/849164506.db2.gz IQVDOSBAZXWMPO-OAHLLOKOSA-N -1 3 377.263 3.974 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC000732026610 862028023 /nfs/dbraw/zinc/02/80/23/862028023.db2.gz CEOWQCBEVADZDE-UHFFFAOYSA-N -1 3 398.459 3.946 20 0 GHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnn(C)c3C(F)(F)F)s2)c1 ZINC000604264727 862049151 /nfs/dbraw/zinc/04/91/51/862049151.db2.gz YCGPPOZBJAUEBZ-UHFFFAOYSA-N -1 3 381.383 3.827 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CCC2CCCCC2)cc1OC ZINC000510025758 850152402 /nfs/dbraw/zinc/15/24/02/850152402.db2.gz KCKCPBRGASMPJH-UHFFFAOYSA-N -1 3 397.541 3.891 20 0 GHADHM CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000486837348 850163371 /nfs/dbraw/zinc/16/33/71/850163371.db2.gz AMVUFSSGHQFPEN-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000506635606 850206130 /nfs/dbraw/zinc/20/61/30/850206130.db2.gz YGYQJJPWTRXFMA-UHFFFAOYSA-N -1 3 397.865 3.751 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000505629911 850235516 /nfs/dbraw/zinc/23/55/16/850235516.db2.gz FXYPNCVWEJSRHT-JTQLQIEISA-N -1 3 390.336 3.714 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000424252918 850315179 /nfs/dbraw/zinc/31/51/79/850315179.db2.gz DVJMZAOPZYXSJF-SIKLNZKXSA-N -1 3 390.499 3.893 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(F)c1 ZINC000506670038 850374013 /nfs/dbraw/zinc/37/40/13/850374013.db2.gz SDFFPAHZJUWKEV-UHFFFAOYSA-N -1 3 389.246 3.571 20 0 GHADHM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000908886540 850453802 /nfs/dbraw/zinc/45/38/02/850453802.db2.gz CBWJPXSNGFHBQM-UHFFFAOYSA-N -1 3 386.879 3.663 20 0 GHADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1cc(F)ccc1Cl ZINC000443887825 862132040 /nfs/dbraw/zinc/13/20/40/862132040.db2.gz ITHLHFMBPVYMCQ-UHFFFAOYSA-N -1 3 397.884 3.519 20 0 GHADHM CC[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000504991374 850511115 /nfs/dbraw/zinc/51/11/15/850511115.db2.gz LQSNVHXQXDRUGI-HNNXBMFYSA-N -1 3 390.505 3.979 20 0 GHADHM O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000909224429 850646526 /nfs/dbraw/zinc/64/65/26/850646526.db2.gz ADRLRHGWFHZFDI-GOSISDBHSA-N -1 3 376.522 3.740 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Br ZINC000487315310 850686717 /nfs/dbraw/zinc/68/67/17/850686717.db2.gz QXABRRBVGGTJRF-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000487316262 850687441 /nfs/dbraw/zinc/68/74/41/850687441.db2.gz SUQZKSUAMFXIOU-UHFFFAOYSA-N -1 3 391.489 3.943 20 0 GHADHM Cc1cccc([C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1C ZINC000909796547 850778135 /nfs/dbraw/zinc/77/81/35/850778135.db2.gz OZGVIXAEANORPR-GHTZIAJQSA-N -1 3 398.478 3.597 20 0 GHADHM Cc1cc(C)cc([C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1 ZINC000909791213 850790878 /nfs/dbraw/zinc/79/08/78/850790878.db2.gz FCJUWDLYQQFXAA-GHTZIAJQSA-N -1 3 398.478 3.597 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000732276651 862170972 /nfs/dbraw/zinc/17/09/72/862170972.db2.gz OIHZWLUDQLIFRM-RKDXNWHRSA-N -1 3 393.287 3.538 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000506796642 850944683 /nfs/dbraw/zinc/94/46/83/850944683.db2.gz NUXRTLHKAMSDOY-UHFFFAOYSA-N -1 3 375.368 3.575 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)cc1F ZINC000513849429 850948598 /nfs/dbraw/zinc/94/85/98/850948598.db2.gz YLQAQHAXRLVUNU-NSHDSACASA-N -1 3 382.457 3.792 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)[C@H](C)C3)c2)cc1 ZINC000435961876 851029849 /nfs/dbraw/zinc/02/98/49/851029849.db2.gz WPZRRQUWUPKKCR-CALCHBBNSA-N -1 3 386.517 3.832 20 0 GHADHM COC(=O)c1ccc(-c2nc(C3(c4ccccc4Br)CC3)no2)[n-]1 ZINC000426630579 851037771 /nfs/dbraw/zinc/03/77/71/851037771.db2.gz UYIIEERDLDMJQO-UHFFFAOYSA-N -1 3 388.221 3.694 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2sccc2Br)c(F)cc1F ZINC000440378620 851118497 /nfs/dbraw/zinc/11/84/97/851118497.db2.gz ALKCJKJBOMVDSR-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000910311951 851120063 /nfs/dbraw/zinc/12/00/63/851120063.db2.gz DQCWASXNXWIMTH-MRXNPFEDSA-N -1 3 399.800 3.702 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c(F)cc1F ZINC000440380186 851120641 /nfs/dbraw/zinc/12/06/41/851120641.db2.gz FWDACHZQFLBBOQ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC(C)(C)c2cccnc2)s1 ZINC000910550505 851269739 /nfs/dbraw/zinc/26/97/39/851269739.db2.gz KOTAXZIUACXOFB-UHFFFAOYSA-N -1 3 376.482 3.593 20 0 GHADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCc1ncccc1[O-] ZINC000473636484 851322047 /nfs/dbraw/zinc/32/20/47/851322047.db2.gz QBWUTKFOZDJMFD-UHFFFAOYSA-N -1 3 378.215 3.987 20 0 GHADHM CC(C)(C)n1cc(C(=O)NCc2ncccc2[O-])c(-c2ccccc2Cl)n1 ZINC000473636765 851327557 /nfs/dbraw/zinc/32/75/57/851327557.db2.gz RUFVFYNMPNULMB-UHFFFAOYSA-N -1 3 384.867 3.989 20 0 GHADHM CCCc1c(C(=O)NCc2ncccc2[O-])nnn1-c1ccc(C(C)(C)C)cc1 ZINC000473639434 851338464 /nfs/dbraw/zinc/33/84/64/851338464.db2.gz CUTAZKGANQGMEY-UHFFFAOYSA-N -1 3 393.491 3.548 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000911022263 851512017 /nfs/dbraw/zinc/51/20/17/851512017.db2.gz LDQXQRCFNNYSQV-UHFFFAOYSA-N -1 3 398.425 3.542 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000732394659 862259333 /nfs/dbraw/zinc/25/93/33/862259333.db2.gz RCRMPNMZJBESIB-FQEVSTJZSA-N -1 3 396.830 3.503 20 0 GHADHM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000911361691 851697935 /nfs/dbraw/zinc/69/79/35/851697935.db2.gz BOKAHMHLTMKXJS-RBUKOAKNSA-N -1 3 392.927 3.655 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[n-]1 ZINC000550128617 851699632 /nfs/dbraw/zinc/69/96/32/851699632.db2.gz IYONGKYRZOLMNU-UHFFFAOYSA-N -1 3 375.428 3.616 20 0 GHADHM CC1(C)CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C(C)(C)CN1Cc1ccccc1 ZINC000911501001 851761323 /nfs/dbraw/zinc/76/13/23/851761323.db2.gz QGILOUVUCDWRQC-OALUTQOASA-N -1 3 386.536 3.779 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C(F)(F)F ZINC000132834713 862288585 /nfs/dbraw/zinc/28/85/85/862288585.db2.gz DNQWLJGNAMSSLP-UHFFFAOYSA-N -1 3 393.340 3.974 20 0 GHADHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488922282 851862790 /nfs/dbraw/zinc/86/27/90/851862790.db2.gz XIFOZMKNODFOND-SNVBAGLBSA-N -1 3 395.349 3.729 20 0 GHADHM O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852798 851934145 /nfs/dbraw/zinc/93/41/45/851934145.db2.gz QNRSOQDVNKPDFR-SOUVJXGZSA-N -1 3 394.500 3.791 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000519569411 851938561 /nfs/dbraw/zinc/93/85/61/851938561.db2.gz SRLCAAREVVIRRZ-MJGOQNOKSA-N -1 3 382.464 3.579 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCOc3cc(C)ccc3C)[n-]c(=O)c12 ZINC000489054328 851954727 /nfs/dbraw/zinc/95/47/27/851954727.db2.gz PJKCWWSHGKEWQV-UHFFFAOYSA-N -1 3 399.472 3.613 20 0 GHADHM CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])c2ccccc2O1 ZINC000436546194 852033805 /nfs/dbraw/zinc/03/38/05/852033805.db2.gz UFAOAILAILPHDW-FQEVSTJZSA-N -1 3 396.487 3.722 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1Cl ZINC000180747662 862313380 /nfs/dbraw/zinc/31/33/80/862313380.db2.gz UWXRSXNZRXGADV-GDBMZVCRSA-N -1 3 391.798 3.566 20 0 GHADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436541512 852053471 /nfs/dbraw/zinc/05/34/71/852053471.db2.gz VVSCHJGAVDZIOG-UHFFFAOYSA-N -1 3 397.452 3.981 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC1 ZINC000515998620 852054555 /nfs/dbraw/zinc/05/45/55/852054555.db2.gz ZEEQNILDGMQSQL-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM C[C@@H](N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1)C(F)(F)F ZINC000436575292 852060497 /nfs/dbraw/zinc/06/04/97/852060497.db2.gz OBJCPGSOFFLWHJ-OAHLLOKOSA-N -1 3 392.421 3.692 20 0 GHADHM COCc1nc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cs1 ZINC000436596883 852083310 /nfs/dbraw/zinc/08/33/10/852083310.db2.gz OAJNCSBGIUGHPC-UHFFFAOYSA-N -1 3 382.485 3.710 20 0 GHADHM COc1cc(OC)cc(N2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000436580005 852087754 /nfs/dbraw/zinc/08/77/54/852087754.db2.gz YUUDCDCHNWHHSA-UHFFFAOYSA-N -1 3 398.503 3.885 20 0 GHADHM COCCc1ccnc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436609996 852108258 /nfs/dbraw/zinc/10/82/58/852108258.db2.gz WVRIUXVRZIBUKV-UHFFFAOYSA-N -1 3 378.428 3.807 20 0 GHADHM Cc1noc(C2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CC2)n1 ZINC000436618065 852117834 /nfs/dbraw/zinc/11/78/34/852117834.db2.gz PXHPIEPTRPTUFR-UHFFFAOYSA-N -1 3 391.471 3.889 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@@H]4CCCC[C@@H]43)cs2)c1 ZINC000517571394 852125082 /nfs/dbraw/zinc/12/50/82/852125082.db2.gz QFVVXKYYSWFFIK-YOEHRIQHSA-N -1 3 399.516 3.743 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)NCCc3ccccc3)c2)n1 ZINC000044197310 852125490 /nfs/dbraw/zinc/12/54/90/852125490.db2.gz SRHLMZVHROFDLN-UHFFFAOYSA-N -1 3 378.501 3.528 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC3CCC3)c(F)c2)c([O-])c1 ZINC000436637918 852132102 /nfs/dbraw/zinc/13/21/02/852132102.db2.gz CUCZJCUZAWLBLP-UHFFFAOYSA-N -1 3 386.423 3.530 20 0 GHADHM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000436643152 852152912 /nfs/dbraw/zinc/15/29/12/852152912.db2.gz DIIHLYMAQMCHGA-UHFFFAOYSA-N -1 3 384.501 3.786 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436668824 852166215 /nfs/dbraw/zinc/16/62/15/852166215.db2.gz YIZQPUPZTUEFLR-ZDUSSCGKSA-N -1 3 394.393 3.717 20 0 GHADHM CCSc1cccc(Br)c1NC(=O)NCc1ncccc1[O-] ZINC000516120385 852168826 /nfs/dbraw/zinc/16/88/26/852168826.db2.gz HBCOUOZBFWBDST-UHFFFAOYSA-N -1 3 382.283 3.983 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436671023 852168935 /nfs/dbraw/zinc/16/89/35/852168935.db2.gz IPMYHYHTJOYBKI-IBGZPJMESA-N -1 3 390.439 3.573 20 0 GHADHM NC(=O)C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436680376 852188852 /nfs/dbraw/zinc/18/88/52/852188852.db2.gz NMZTVIDUOARROE-IBGZPJMESA-N -1 3 376.412 3.531 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(Oc4cnccn4)c3)c([O-])c2O1 ZINC000436681002 852188900 /nfs/dbraw/zinc/18/89/00/852188900.db2.gz LUWRFRIKISMTQB-UHFFFAOYSA-N -1 3 377.400 3.940 20 0 GHADHM COc1ccc(Cl)cc1Cc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436687365 852198101 /nfs/dbraw/zinc/19/81/01/852198101.db2.gz HQRLLMRXUBFULJ-UHFFFAOYSA-N -1 3 376.796 3.712 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1nc(C(C)C)ncc1Cl)OCCO2 ZINC000505861150 852202838 /nfs/dbraw/zinc/20/28/38/852202838.db2.gz SDAAAQMTDAWFPD-UHFFFAOYSA-N -1 3 379.869 3.999 20 0 GHADHM COc1cc(-c2nc(Cc3ccccc3OC(F)F)no2)cc(OC)c1[O-] ZINC000436692405 852203623 /nfs/dbraw/zinc/20/36/23/852203623.db2.gz XVSGYLWSCVKADK-UHFFFAOYSA-N -1 3 378.331 3.652 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)c1 ZINC000112266613 852211037 /nfs/dbraw/zinc/21/10/37/852211037.db2.gz UQMMVKNDLLDYAX-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710445 852231358 /nfs/dbraw/zinc/23/13/58/852231358.db2.gz UJVFULBMAMFLSL-GTNSWQLSSA-N -1 3 381.350 3.719 20 0 GHADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCCC1 ZINC000436717872 852241652 /nfs/dbraw/zinc/24/16/52/852241652.db2.gz HUZMVHWTDDJJGO-LJQANCHMSA-N -1 3 387.524 3.609 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436719714 852243528 /nfs/dbraw/zinc/24/35/28/852243528.db2.gz IJKYGWRCBJSUJA-MJGOQNOKSA-N -1 3 392.499 3.666 20 0 GHADHM CC1(C)CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436722124 852246497 /nfs/dbraw/zinc/24/64/97/852246497.db2.gz NESZWXSBABXILB-PMACEKPBSA-N -1 3 392.499 3.926 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1[O-] ZINC000436739864 852257732 /nfs/dbraw/zinc/25/77/32/852257732.db2.gz XRTOKWNTKPRPAS-UHFFFAOYSA-N -1 3 379.294 3.722 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnc(-c3ccccn3)s2)cc1 ZINC000426722148 852307092 /nfs/dbraw/zinc/30/70/92/852307092.db2.gz GLKATHKQJMUMEX-QGZVFWFLSA-N -1 3 383.473 3.909 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])sc2C1 ZINC000426708736 852314928 /nfs/dbraw/zinc/31/49/28/852314928.db2.gz MLTJQZZRJCMODS-JSGCOSHPSA-N -1 3 378.925 3.954 20 0 GHADHM COc1ccc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000426729851 852322552 /nfs/dbraw/zinc/32/25/52/852322552.db2.gz HISGIZQKUJNGGI-GOSISDBHSA-N -1 3 379.909 3.867 20 0 GHADHM CC[C@H](C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436822639 852391936 /nfs/dbraw/zinc/39/19/36/852391936.db2.gz PZSOIVCCDYDCNJ-JTSKRJEESA-N -1 3 394.515 3.943 20 0 GHADHM O=C([O-])[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1 ZINC000426789749 852399230 /nfs/dbraw/zinc/39/92/30/852399230.db2.gz XMHRETXPFCDPQX-GOSISDBHSA-N -1 3 389.377 3.866 20 0 GHADHM CCc1ccc([C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436850983 852417455 /nfs/dbraw/zinc/41/74/55/852417455.db2.gz KAFPVPHUYSNIDU-FPOVZHCZSA-N -1 3 392.499 3.575 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000517814087 852456737 /nfs/dbraw/zinc/45/67/37/852456737.db2.gz JMYUDUOVJBPGAQ-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000517814087 852456743 /nfs/dbraw/zinc/45/67/43/852456743.db2.gz JMYUDUOVJBPGAQ-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM COc1cccc(-c2nc(Cc3cc(Br)ccc3F)no2)c1[O-] ZINC000436900766 852486774 /nfs/dbraw/zinc/48/67/74/852486774.db2.gz KAYMZEKBIKPAHP-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000489633517 852498604 /nfs/dbraw/zinc/49/86/04/852498604.db2.gz YDLHRIIWQSGFMR-QMMMGPOBSA-N -1 3 398.403 3.571 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)s1 ZINC000436922036 852502531 /nfs/dbraw/zinc/50/25/31/852502531.db2.gz YGQRGQKZAICYCH-QMMMGPOBSA-N -1 3 393.856 3.555 20 0 GHADHM CC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000436924072 852505645 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000436969344 852539785 /nfs/dbraw/zinc/53/97/85/852539785.db2.gz ZLTKEAPEERCKAI-ODXCJYRJSA-N -1 3 391.427 3.604 20 0 GHADHM COc1cccc(-c2nc([C@H](OC)c3ccc(Br)cc3)no2)c1[O-] ZINC000436953425 852544296 /nfs/dbraw/zinc/54/42/96/852544296.db2.gz PGVDWEGGGRAFIH-OAHLLOKOSA-N -1 3 391.221 3.949 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000436983163 852570770 /nfs/dbraw/zinc/57/07/70/852570770.db2.gz CJUYCIDZSMIFMX-UHFFFAOYSA-N -1 3 399.487 3.903 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(-c3ccccc3)cnc2C)c([O-])c1 ZINC000436969785 852573646 /nfs/dbraw/zinc/57/36/46/852573646.db2.gz AHFNFTNJAFQKEY-UHFFFAOYSA-N -1 3 389.455 3.830 20 0 GHADHM CCOC(=O)C(=Cc1cccnc1Cl)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000171539049 862371022 /nfs/dbraw/zinc/37/10/22/862371022.db2.gz URPFONGFRDSZLG-XYOKQWHBSA-N -1 3 389.864 3.754 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436985417 852593298 /nfs/dbraw/zinc/59/32/98/852593298.db2.gz CIOMGNXWSGEICM-HIFRSBDPSA-N -1 3 387.505 3.599 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000516537684 852713553 /nfs/dbraw/zinc/71/35/53/852713553.db2.gz MSLQERFNIGWHKU-TZMCWYRMSA-N -1 3 396.871 3.983 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000518052356 852771094 /nfs/dbraw/zinc/77/10/94/852771094.db2.gz ZPNZXMALSFRQLH-AWEZNQCLSA-N -1 3 388.233 3.693 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nnn1-c1cccc(C)c1 ZINC000490287567 852899357 /nfs/dbraw/zinc/89/93/57/852899357.db2.gz MVXVEANRAZHYOL-HJWRWDBZSA-N -1 3 392.444 3.751 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC(c1cccs1)c1cccs1 ZINC000120841049 852923208 /nfs/dbraw/zinc/92/32/08/852923208.db2.gz DLEQIEGDMSAPTI-UHFFFAOYSA-N -1 3 383.454 3.604 20 0 GHADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2n(C)c1=O ZINC000427300187 852952070 /nfs/dbraw/zinc/95/20/70/852952070.db2.gz CBBXALQISKLVMG-UHFFFAOYSA-N -1 3 382.485 3.527 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000913001955 852964525 /nfs/dbraw/zinc/96/45/25/852964525.db2.gz UFEQSSAQNTXZBZ-UHFFFAOYSA-N -1 3 386.249 3.514 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)[n-]n1 ZINC000180926850 862412395 /nfs/dbraw/zinc/41/23/95/862412395.db2.gz ABOSYKLHIIPAIJ-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n[n-]1 ZINC000180926850 862412400 /nfs/dbraw/zinc/41/24/00/862412400.db2.gz ABOSYKLHIIPAIJ-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM COc1ccccc1CSc1ccccc1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000437357253 853038765 /nfs/dbraw/zinc/03/87/65/853038765.db2.gz ZRGUFDLCNKMXLI-UHFFFAOYSA-N -1 3 382.441 3.932 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000490622522 853143506 /nfs/dbraw/zinc/14/35/06/853143506.db2.gz CHGILYANFKMQLB-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM COc1nnc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000490660966 853162427 /nfs/dbraw/zinc/16/24/27/853162427.db2.gz NMVLJVBDMLJWHP-UHFFFAOYSA-N -1 3 391.214 3.603 20 0 GHADHM COc1nc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000490660966 853162431 /nfs/dbraw/zinc/16/24/31/853162431.db2.gz NMVLJVBDMLJWHP-UHFFFAOYSA-N -1 3 391.214 3.603 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000490660966 853162433 /nfs/dbraw/zinc/16/24/33/853162433.db2.gz NMVLJVBDMLJWHP-UHFFFAOYSA-N -1 3 391.214 3.603 20 0 GHADHM COc1nnc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)[n-]1 ZINC000490684898 853184624 /nfs/dbraw/zinc/18/46/24/853184624.db2.gz QHFOYNDOELUKBV-CQSZACIVSA-N -1 3 376.388 3.564 20 0 GHADHM COc1nc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)n[n-]1 ZINC000490684898 853184629 /nfs/dbraw/zinc/18/46/29/853184629.db2.gz QHFOYNDOELUKBV-CQSZACIVSA-N -1 3 376.388 3.564 20 0 GHADHM COc1n[n-]c(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)n1 ZINC000490684898 853184634 /nfs/dbraw/zinc/18/46/34/853184634.db2.gz QHFOYNDOELUKBV-CQSZACIVSA-N -1 3 376.388 3.564 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000913302324 853224752 /nfs/dbraw/zinc/22/47/52/853224752.db2.gz VPEJEQWZOLXESO-QWHCGFSZSA-N -1 3 393.399 3.839 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000913302324 853224762 /nfs/dbraw/zinc/22/47/62/853224762.db2.gz VPEJEQWZOLXESO-QWHCGFSZSA-N -1 3 393.399 3.839 20 0 GHADHM CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000439061643 853229833 /nfs/dbraw/zinc/22/98/33/853229833.db2.gz UJXRCCOOMFYDKV-UHFFFAOYSA-N -1 3 395.480 3.780 20 0 GHADHM CCOc1ccc(-c2nc(CN3CCC[C@@H]3CC(=O)[O-])cs2)cc1OC ZINC000518387045 853293009 /nfs/dbraw/zinc/29/30/09/853293009.db2.gz WQQRMNSRVBPBEZ-OAHLLOKOSA-N -1 3 376.478 3.657 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000112400957 853364468 /nfs/dbraw/zinc/36/44/68/853364468.db2.gz DWEIAPNKIZZPTB-LJQANCHMSA-N -1 3 382.435 3.891 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000519684991 853392752 /nfs/dbraw/zinc/39/27/52/853392752.db2.gz PFUMNKZQMCUEPF-ZBFHGGJFSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000519684991 853392764 /nfs/dbraw/zinc/39/27/64/853392764.db2.gz PFUMNKZQMCUEPF-ZBFHGGJFSA-N -1 3 385.830 3.715 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1cccc(Cl)c1Cl ZINC000439203553 853417526 /nfs/dbraw/zinc/41/75/26/853417526.db2.gz WKTQRCGZZPPHEU-UHFFFAOYSA-N -1 3 388.301 3.924 20 0 GHADHM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000519744865 853439257 /nfs/dbraw/zinc/43/92/57/853439257.db2.gz IDMJHRMUDOLGEV-ZJOUEHCJSA-N -1 3 392.499 3.697 20 0 GHADHM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000519744867 853439627 /nfs/dbraw/zinc/43/96/27/853439627.db2.gz IDMJHRMUDOLGEV-ZVDOUQERSA-N -1 3 392.499 3.697 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1c2ccccc2oc1C(N)=O ZINC000151465342 853460541 /nfs/dbraw/zinc/46/05/41/853460541.db2.gz XDKHFPFFSZBOOT-UHFFFAOYSA-N -1 3 379.347 3.887 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000440709292 853552396 /nfs/dbraw/zinc/55/23/96/853552396.db2.gz BXCQZPGKNJNQDQ-KRWDZBQOSA-N -1 3 379.460 3.754 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000519858171 853553030 /nfs/dbraw/zinc/55/30/30/853553030.db2.gz NZDGFBUJXRDSEC-QFUCXCTJSA-N -1 3 392.499 3.710 20 0 GHADHM Cc1ccc([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000437837749 853598157 /nfs/dbraw/zinc/59/81/57/853598157.db2.gz FICBFFOIAYCIAI-QRWLVFNGSA-N -1 3 389.517 3.728 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cc2)cc(=O)[n-]1 ZINC000519945766 853636046 /nfs/dbraw/zinc/63/60/46/853636046.db2.gz JZTMZZNHGVVJRS-SFHVURJKSA-N -1 3 397.504 3.644 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891972 853738157 /nfs/dbraw/zinc/73/81/57/853738157.db2.gz WXASQJAJDSHDQJ-KGLIPLIRSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891972 853738162 /nfs/dbraw/zinc/73/81/62/853738162.db2.gz WXASQJAJDSHDQJ-KGLIPLIRSA-N -1 3 388.258 3.840 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000156405449 853740181 /nfs/dbraw/zinc/74/01/81/853740181.db2.gz KWLOCGWLBZLLHX-UHFFFAOYSA-N -1 3 390.237 3.610 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000571291074 853830883 /nfs/dbraw/zinc/83/08/83/853830883.db2.gz LBDAEUDYRZUVQY-FUHWJXTLSA-N -1 3 389.492 3.570 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCOc2ccc3ccccc3c2)cc1OC ZINC000732806294 862505220 /nfs/dbraw/zinc/50/52/20/862505220.db2.gz BLAPCHXQHZLYMF-UHFFFAOYSA-N -1 3 381.428 3.526 20 0 GHADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cc(Cl)ccc1Br ZINC000416501702 853872452 /nfs/dbraw/zinc/87/24/52/853872452.db2.gz MMQGBTLWGSZUDL-UHFFFAOYSA-N -1 3 388.661 3.816 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000055579389 854013723 /nfs/dbraw/zinc/01/37/23/854013723.db2.gz RMIAEDROOFVPQM-QXMHVHEDSA-N -1 3 386.502 3.687 20 0 GHADHM O=c1nc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000441275700 854061607 /nfs/dbraw/zinc/06/16/07/854061607.db2.gz IGIKOUJGSBJBGD-ZIAGYGMSSA-N -1 3 385.489 3.905 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000481935626 862540862 /nfs/dbraw/zinc/54/08/62/862540862.db2.gz WIYXXPCEOSLQNG-IUCAKERBSA-N -1 3 379.169 3.550 20 0 GHADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000481937484 862542044 /nfs/dbraw/zinc/54/20/44/862542044.db2.gz ZPYUMZWYIHUHPK-QMMMGPOBSA-N -1 3 380.292 3.652 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000112632984 854279911 /nfs/dbraw/zinc/27/99/11/854279911.db2.gz WCOZPBCCSYIAMF-ZBEGNZNMSA-N -1 3 375.266 3.695 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928939 854315643 /nfs/dbraw/zinc/31/56/43/854315643.db2.gz RNBAMFFJYZIEQC-HOTGVXAUSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928939 854315646 /nfs/dbraw/zinc/31/56/46/854315646.db2.gz RNBAMFFJYZIEQC-HOTGVXAUSA-N -1 3 388.258 3.840 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000481992345 862585993 /nfs/dbraw/zinc/58/59/93/862585993.db2.gz UPZFSBNMBDDMIY-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccs1 ZINC000069603477 854680400 /nfs/dbraw/zinc/68/04/00/854680400.db2.gz BVCBICLMGBAWCH-MRVPVSSYSA-N -1 3 385.363 3.698 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(CSc4nccn4C)o3)n[nH]2)cc1 ZINC000127019142 854773244 /nfs/dbraw/zinc/77/32/44/854773244.db2.gz HLEHGQCVKZFYBO-UHFFFAOYSA-N -1 3 394.460 3.651 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c(C)c1C ZINC000330134763 862604395 /nfs/dbraw/zinc/60/43/95/862604395.db2.gz HAEGBEWXGSTXKS-INIZCTEOSA-N -1 3 377.510 3.647 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1[N+](=O)[O-] ZINC000165267682 854799959 /nfs/dbraw/zinc/79/99/59/854799959.db2.gz MBRPLCPVDJTGDX-UHFFFAOYSA-N -1 3 376.221 3.714 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)n1 ZINC000518820040 854804546 /nfs/dbraw/zinc/80/45/46/854804546.db2.gz NXRZDHVGBWZSCT-UHFFFAOYSA-N -1 3 390.374 3.792 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000186389100 854992000 /nfs/dbraw/zinc/99/20/00/854992000.db2.gz ZIVQBBUTSNWCQR-UHFFFAOYSA-N -1 3 399.278 3.895 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000032087242 855085042 /nfs/dbraw/zinc/08/50/42/855085042.db2.gz USZBXIYQILEWDV-UHFFFAOYSA-N -1 3 378.469 3.640 20 0 GHADHM Cc1sc(NC(=O)CNC(=O)c2ccc([O-])cc2)nc1-c1ccc(C)cc1 ZINC000589684382 855106055 /nfs/dbraw/zinc/10/60/55/855106055.db2.gz LSOHOJOJPPOSJI-UHFFFAOYSA-N -1 3 381.457 3.501 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(OCC2CCCCC2)cc1 ZINC000589693643 855111265 /nfs/dbraw/zinc/11/12/65/855111265.db2.gz NGAQAAKKGCPHPH-UHFFFAOYSA-N -1 3 382.460 3.720 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c(Br)c1 ZINC001211865043 855308456 /nfs/dbraw/zinc/30/84/56/855308456.db2.gz FOLGOCHKVJXZMM-NSHDSACASA-N -1 3 396.734 3.506 20 0 GHADHM CCC(CC)[C@@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000057267555 855320640 /nfs/dbraw/zinc/32/06/40/855320640.db2.gz PMNSCDIXFBLTML-MRXNPFEDSA-N -1 3 390.465 3.778 20 0 GHADHM Cc1cccc(CO[N-]C(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)n1 ZINC001168634901 855331114 /nfs/dbraw/zinc/33/11/14/855331114.db2.gz XLUZTKNOUDGRNN-INIZCTEOSA-N -1 3 379.501 3.515 20 0 GHADHM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1Cl ZINC000055588161 855353978 /nfs/dbraw/zinc/35/39/78/855353978.db2.gz WGMHLHIYELESBM-UHFFFAOYSA-N -1 3 394.924 3.806 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2cc(I)ccc2[O-])cs1 ZINC000590316366 855372859 /nfs/dbraw/zinc/37/28/59/855372859.db2.gz PJIXUYUCKNXLMG-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM O=c1[n-]nc(S[C@H](c2ccccc2)c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000133756063 862680811 /nfs/dbraw/zinc/68/08/11/862680811.db2.gz XOJPICFQBWMSIK-ZWKOTPCHSA-N -1 3 385.464 3.771 20 0 GHADHM C[C@H](CCC[C@H](C)NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417541899 855535739 /nfs/dbraw/zinc/53/57/39/855535739.db2.gz ZEEQUTOLEZUMAU-MNOVXSKESA-N -1 3 393.240 3.799 20 0 GHADHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1occ2c1CCOC2 ZINC000507773021 855587626 /nfs/dbraw/zinc/58/76/26/855587626.db2.gz SNLCVANFTIFSFK-UHFFFAOYSA-N -1 3 385.489 3.924 20 0 GHADHM COC(=O)c1cc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1C ZINC000417563481 855607784 /nfs/dbraw/zinc/60/77/84/855607784.db2.gz DJXSSGYTKNHNOB-OAHLLOKOSA-N -1 3 399.274 3.814 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(CC(C)C)CC2)cc1Cl ZINC000152334750 855652067 /nfs/dbraw/zinc/65/20/67/855652067.db2.gz RSXZFFXLATUDJE-UHFFFAOYSA-N -1 3 376.881 3.542 20 0 GHADHM COC1CCC(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000542760361 855665981 /nfs/dbraw/zinc/66/59/81/855665981.db2.gz KSMGQICRTNATHZ-UHFFFAOYSA-N -1 3 396.372 3.693 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)c1Cl ZINC000614596277 855712486 /nfs/dbraw/zinc/71/24/86/855712486.db2.gz ABMADLUPGIXCED-CYBMUJFWSA-N -1 3 393.361 3.945 20 0 GHADHM CCOC(=O)C(=Cc1cccc(OC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815157 855719810 /nfs/dbraw/zinc/71/98/10/855719810.db2.gz FKGZXXJWUAAPJZ-XNTDXEJSSA-N -1 3 384.457 3.714 20 0 GHADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591097561 855759982 /nfs/dbraw/zinc/75/99/82/855759982.db2.gz MPOCVUUWSHZTKO-UHFFFAOYSA-N -1 3 390.370 3.541 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@H](C4CCC4)C3)nc(=O)c2c1C ZINC000591061736 855762316 /nfs/dbraw/zinc/76/23/16/855762316.db2.gz GKCNERUVTPRQNF-TZMCWYRMSA-N -1 3 389.521 3.653 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(Cc2ccccc2)no1 ZINC000765859909 855829766 /nfs/dbraw/zinc/82/97/66/855829766.db2.gz XSGHFWYYTBRRNQ-GFCCVEGCSA-N -1 3 375.350 3.769 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482141441 862727126 /nfs/dbraw/zinc/72/71/26/862727126.db2.gz MYWWVVXEXLCSPX-CQSZACIVSA-N -1 3 389.253 3.789 20 0 GHADHM O=C(CCOCC(F)(F)C(F)(F)F)Nc1cc(Br)ccc1[O-] ZINC000189799427 855869551 /nfs/dbraw/zinc/86/95/51/855869551.db2.gz DUPYBCZOMLTQBG-UHFFFAOYSA-N -1 3 392.118 3.698 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000542799311 855887907 /nfs/dbraw/zinc/88/79/07/855887907.db2.gz CNFFEWYNZQAATJ-YPMHNXCESA-N -1 3 386.926 3.557 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(c4cccc(F)c4)CCCCC3)cc2n(C)c1=O ZINC000573156874 855933409 /nfs/dbraw/zinc/93/34/09/855933409.db2.gz PKTARGIYVXOPIX-UHFFFAOYSA-N -1 3 397.450 3.562 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1CCCCC1 ZINC000591366959 855951751 /nfs/dbraw/zinc/95/17/51/855951751.db2.gz TUHSOEUVAWNNHJ-UHFFFAOYSA-N -1 3 378.416 3.986 20 0 GHADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000509220636 855991788 /nfs/dbraw/zinc/99/17/88/855991788.db2.gz YDMAPNWJCCEVLC-GHMZBOCLSA-N -1 3 396.734 3.586 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591450503 855994191 /nfs/dbraw/zinc/99/41/91/855994191.db2.gz MUXNMBPDPISIQI-UHFFFAOYSA-N -1 3 390.370 3.541 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000029092399 856018680 /nfs/dbraw/zinc/01/86/80/856018680.db2.gz WDPPPEKMZRIRBT-UHFFFAOYSA-N -1 3 391.836 3.619 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc2c(c(Cl)c1)OCO2 ZINC000485124717 856139657 /nfs/dbraw/zinc/13/96/57/856139657.db2.gz QRPRJGRPDJDXDV-UHFFFAOYSA-N -1 3 382.763 3.852 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc2c(c(Cl)c1)OCO2 ZINC000485124717 856139661 /nfs/dbraw/zinc/13/96/61/856139661.db2.gz QRPRJGRPDJDXDV-UHFFFAOYSA-N -1 3 382.763 3.852 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(F)c1I ZINC000536463273 856148292 /nfs/dbraw/zinc/14/82/92/856148292.db2.gz IRESTJYXPOTCSB-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2N1 ZINC000032097848 856208787 /nfs/dbraw/zinc/20/87/87/856208787.db2.gz LZMAUYQITUYJOV-UHFFFAOYSA-N -1 3 389.235 3.818 20 0 GHADHM COc1ccc2cc(C[N-]S(=O)(=O)c3cc(F)c(F)cc3F)ccc2c1 ZINC000591814945 856352630 /nfs/dbraw/zinc/35/26/30/856352630.db2.gz VTJNCAOBMUEDEY-UHFFFAOYSA-N -1 3 381.375 3.744 20 0 GHADHM CC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1nc(C)cs1 ZINC000482189163 862787847 /nfs/dbraw/zinc/78/78/47/862787847.db2.gz VNMHTNIYENJGOG-GFCCVEGCSA-N -1 3 394.298 3.556 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)c(C)c1C ZINC000573664272 856380229 /nfs/dbraw/zinc/38/02/29/856380229.db2.gz KTURDAHJHTWDPM-LJQANCHMSA-N -1 3 386.517 3.981 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]1C1CCCC1 ZINC000482196606 862794955 /nfs/dbraw/zinc/79/49/55/862794955.db2.gz BGMKEIGEROIYMI-HNNXBMFYSA-N -1 3 377.286 3.705 20 0 GHADHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485386645 856425041 /nfs/dbraw/zinc/42/50/41/856425041.db2.gz KIHPYZVOVSHONO-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM O=C(CC1CCCCC1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471950775 856450936 /nfs/dbraw/zinc/45/09/36/856450936.db2.gz BFIJCWCMONYDRB-UHFFFAOYSA-N -1 3 380.488 3.800 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436831856 856465097 /nfs/dbraw/zinc/46/50/97/856465097.db2.gz HEIVYWXJJSWBCF-LBPRGKRZSA-N -1 3 379.334 3.769 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000171796763 862801468 /nfs/dbraw/zinc/80/14/68/862801468.db2.gz IRLCZIUFXISAHG-UHFFFAOYSA-N -1 3 376.243 3.892 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000674606294 856483181 /nfs/dbraw/zinc/48/31/81/856483181.db2.gz LMOXPMCGIOJFCT-IBGZPJMESA-N -1 3 396.487 3.951 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccncc4)cc3)ccc2O1 ZINC000592006898 856535019 /nfs/dbraw/zinc/53/50/19/856535019.db2.gz KDLWEUUXARGGLQ-OAHLLOKOSA-N -1 3 396.468 3.785 20 0 GHADHM CN(c1ccccc1)c1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cn1 ZINC000905741952 856537442 /nfs/dbraw/zinc/53/74/42/856537442.db2.gz XMKVYNFGNKJEIR-INIZCTEOSA-N -1 3 394.500 3.994 20 0 GHADHM Cc1nc(C)c(Cc2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)c(=O)[n-]1 ZINC000520783022 856598371 /nfs/dbraw/zinc/59/83/71/856598371.db2.gz QNPSTRUFPBVKEW-UHFFFAOYSA-N -1 3 390.365 3.872 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nc(-c2ccccc2)c[nH]1 ZINC000110592385 856614634 /nfs/dbraw/zinc/61/46/34/856614634.db2.gz GAOAHTZOMLPLEP-CYBMUJFWSA-N -1 3 395.406 3.924 20 0 GHADHM CN(Cc1cn(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nn1)C(C)(C)C ZINC000905788133 856619352 /nfs/dbraw/zinc/61/93/52/856619352.db2.gz HSFFPUIDUIYNCP-UHFFFAOYSA-N -1 3 398.492 3.527 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000044260046 856638355 /nfs/dbraw/zinc/63/83/55/856638355.db2.gz IAXIXWURMTVDMQ-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135645 856673661 /nfs/dbraw/zinc/67/36/61/856673661.db2.gz QXLXPGHKSRYBKB-UKRRQHHQSA-N -1 3 397.475 3.881 20 0 GHADHM Cc1cccc(C)c1OCCC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000031484451 856753527 /nfs/dbraw/zinc/75/35/27/856753527.db2.gz URGBFSZYYGAOAS-UHFFFAOYSA-N -1 3 381.259 3.840 20 0 GHADHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1Br ZINC000508068682 856856934 /nfs/dbraw/zinc/85/69/34/856856934.db2.gz NZPQNWDZWBTXFW-UHFFFAOYSA-N -1 3 388.302 3.835 20 0 GHADHM CC(C)(C)c1cc(Br)ccc1-c1noc(-c2cc(=O)[n-]cn2)n1 ZINC001212360682 856864451 /nfs/dbraw/zinc/86/44/51/856864451.db2.gz IKRUEEBDNNHTJL-UHFFFAOYSA-N -1 3 375.226 3.959 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c(C)c2c1 ZINC000592469351 856885274 /nfs/dbraw/zinc/88/52/74/856885274.db2.gz OEDKNFOPOWTBGB-NSHDSACASA-N -1 3 393.399 3.516 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1C ZINC000508112999 856899733 /nfs/dbraw/zinc/89/97/33/856899733.db2.gz PJJZWYZQNZURBS-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c(C(=O)OCC)[n-]1 ZINC000485697340 856971470 /nfs/dbraw/zinc/97/14/70/856971470.db2.gz SFYMJSDAPPEYMK-ZDUSSCGKSA-N -1 3 387.484 3.657 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)c(C)c1 ZINC000111995212 857058587 /nfs/dbraw/zinc/05/85/87/857058587.db2.gz KMZJAWSXDKUEMF-UHFFFAOYSA-N -1 3 394.456 3.514 20 0 GHADHM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2)c1C ZINC000063803257 857059709 /nfs/dbraw/zinc/05/97/09/857059709.db2.gz BXKSSCGBSJDENQ-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM COc1ccc(N(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1OC ZINC000906413165 857082922 /nfs/dbraw/zinc/08/29/22/857082922.db2.gz LCCTUVSQEBWHPX-UHFFFAOYSA-N -1 3 393.465 3.784 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592815507 857099212 /nfs/dbraw/zinc/09/92/12/857099212.db2.gz BCVKSXBODYYBAN-ZBFHGGJFSA-N -1 3 379.472 3.680 20 0 GHADHM CCc1nnc(-c2cccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)c2)o1 ZINC000499516374 857119047 /nfs/dbraw/zinc/11/90/47/857119047.db2.gz AULYEUGHFIEMNE-UHFFFAOYSA-N -1 3 396.353 3.671 20 0 GHADHM O=C(Nc1csc(-c2ccccc2)n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000672332395 857160977 /nfs/dbraw/zinc/16/09/77/857160977.db2.gz JSZXQKIMDJULGL-INIZCTEOSA-N -1 3 393.468 3.759 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000785478021 857173322 /nfs/dbraw/zinc/17/33/22/857173322.db2.gz DXVFRDCXVVKDLS-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM CCC(CC)(C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)C(=O)OC(C)(C)C ZINC000593036331 857190937 /nfs/dbraw/zinc/19/09/37/857190937.db2.gz DQPYKUPMIATPIF-UHFFFAOYSA-N -1 3 399.491 3.832 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)nnn1-c1ccccc1Cl ZINC000508336521 857197333 /nfs/dbraw/zinc/19/73/33/857197333.db2.gz ADMRRJFFWHNVHK-UHFFFAOYSA-N -1 3 392.850 3.602 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672374088 857212674 /nfs/dbraw/zinc/21/26/74/857212674.db2.gz SZRWKIVSHHOPCJ-JTQLQIEISA-N -1 3 381.347 3.617 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccccn1 ZINC000906750679 857259892 /nfs/dbraw/zinc/25/98/92/857259892.db2.gz WEOQVPGJCLVDKN-ZDUSSCGKSA-N -1 3 384.224 3.844 20 0 GHADHM COc1ccc(Br)c(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000485981259 857295140 /nfs/dbraw/zinc/29/51/40/857295140.db2.gz SHVHMEXKBAYAFJ-IHWYPQMZSA-N -1 3 384.233 3.773 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)NCc1ncccc1[O-] ZINC000574217462 857295571 /nfs/dbraw/zinc/29/55/71/857295571.db2.gz MKPOWTNFUYVNQN-OAHLLOKOSA-N -1 3 394.500 3.516 20 0 GHADHM O=C(Cc1ccn(-c2ccccc2)n1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000574222498 857300878 /nfs/dbraw/zinc/30/08/78/857300878.db2.gz YMTAVPXQRFWVHL-UHFFFAOYSA-N -1 3 384.399 3.585 20 0 GHADHM O=C(OCc1c(F)cccc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333571 857304957 /nfs/dbraw/zinc/30/49/57/857304957.db2.gz AKHBEYVSOGIOTB-INIZCTEOSA-N -1 3 377.799 3.533 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000672425873 857323677 /nfs/dbraw/zinc/32/36/77/857323677.db2.gz ZIPKUOOSJOITGO-JTQLQIEISA-N -1 3 394.707 3.701 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 ZINC001212456312 857343451 /nfs/dbraw/zinc/34/34/51/857343451.db2.gz WHXWIZXZQLEICT-UHFFFAOYSA-N -1 3 382.576 3.930 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc(F)c(Cl)cc1Cl ZINC000143947743 857380427 /nfs/dbraw/zinc/38/04/27/857380427.db2.gz BNNVVBKDACEIGZ-SSDOTTSWSA-N -1 3 396.205 3.899 20 0 GHADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000605291597 862905298 /nfs/dbraw/zinc/90/52/98/862905298.db2.gz IDFWTFKKLXHGFP-GOSISDBHSA-N -1 3 381.881 3.840 20 0 GHADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000675460263 857391965 /nfs/dbraw/zinc/39/19/65/857391965.db2.gz ODRZQEIFNIFPMU-UHFFFAOYSA-N -1 3 393.436 3.636 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@H](C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000108144971 857472559 /nfs/dbraw/zinc/47/25/59/857472559.db2.gz QEWZJIFNSIDNRU-CYBMUJFWSA-N -1 3 385.489 3.581 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-][C@@H]1COc2ccc(C)cc21 ZINC000675633765 857544854 /nfs/dbraw/zinc/54/48/54/857544854.db2.gz RMGOJUHIXMVXBD-LLVKDONJSA-N -1 3 388.308 3.539 20 0 GHADHM CC[C@H]1CN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)CCN1CC(F)F ZINC000521050414 857544977 /nfs/dbraw/zinc/54/49/77/857544977.db2.gz NFCDXIWBTJGLDJ-AWEZNQCLSA-N -1 3 377.435 3.716 20 0 GHADHM CSCC1(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000593454983 857578484 /nfs/dbraw/zinc/57/84/84/857578484.db2.gz FBCFSRLKZVCKLW-UHFFFAOYSA-N -1 3 396.456 3.549 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1COc2c1cccc2Cl ZINC000675827195 857627754 /nfs/dbraw/zinc/62/77/54/857627754.db2.gz MXGOGHNNGVACEP-ZDUSSCGKSA-N -1 3 397.656 3.741 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1OC ZINC000442242827 857648290 /nfs/dbraw/zinc/64/82/90/857648290.db2.gz OROOYNVBMCQDDJ-UHFFFAOYSA-N -1 3 377.796 3.745 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1F ZINC000521129281 857663728 /nfs/dbraw/zinc/66/37/28/857663728.db2.gz LJTMRLXQTMEURQ-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000064476358 857713447 /nfs/dbraw/zinc/71/34/47/857713447.db2.gz YGRZCXXBUPOABT-MRXNPFEDSA-N -1 3 379.503 3.767 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000121013383 857787736 /nfs/dbraw/zinc/78/77/36/857787736.db2.gz KVTMXVPJHRXSAZ-UHFFFAOYSA-N -1 3 380.375 3.579 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CCCOC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000676235969 857790860 /nfs/dbraw/zinc/79/08/60/857790860.db2.gz KHVUNZWPTSPHKD-LLVKDONJSA-N -1 3 376.869 3.693 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000065753406 857845003 /nfs/dbraw/zinc/84/50/03/857845003.db2.gz JTWFYIBNDIJFNK-QGZVFWFLSA-N -1 3 395.415 3.682 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486552061 857851455 /nfs/dbraw/zinc/85/14/55/857851455.db2.gz VQAGRWAXCWDRDR-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1CO ZINC000065832768 857860826 /nfs/dbraw/zinc/86/08/26/857860826.db2.gz WULLFWRRLUMARP-UHFFFAOYSA-N -1 3 393.505 3.803 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486567044 857869887 /nfs/dbraw/zinc/86/98/87/857869887.db2.gz ZTVRJAGJACXNIB-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1F ZINC000486571638 857874162 /nfs/dbraw/zinc/87/41/62/857874162.db2.gz MVFOFCRMCONBEB-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCCCc1nc2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2[nH]1 ZINC000065904290 857874853 /nfs/dbraw/zinc/87/48/53/857874853.db2.gz GTYMMORKZFAUGY-UHFFFAOYSA-N -1 3 386.477 3.529 20 0 GHADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000065975106 857889456 /nfs/dbraw/zinc/88/94/56/857889456.db2.gz UZTSISCDZLLJGW-UHFFFAOYSA-N -1 3 398.315 3.884 20 0 GHADHM CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000908090505 857913710 /nfs/dbraw/zinc/91/37/10/857913710.db2.gz CVYJMCHNPSSQHQ-UHFFFAOYSA-N -1 3 394.515 3.831 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000486647299 857942494 /nfs/dbraw/zinc/94/24/94/857942494.db2.gz VJCQHRQSEVBVLR-DTWKUNHWSA-N -1 3 377.297 3.665 20 0 GHADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC000066577003 857943263 /nfs/dbraw/zinc/94/32/63/857943263.db2.gz AQXKSGPVMNYQPH-LLVKDONJSA-N -1 3 393.852 3.863 20 0 GHADHM CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000078497878 858065265 /nfs/dbraw/zinc/06/52/65/858065265.db2.gz YDTUYLLXYBMFPW-MRXNPFEDSA-N -1 3 390.361 3.860 20 0 GHADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442747590 858107733 /nfs/dbraw/zinc/10/77/33/858107733.db2.gz ZBSLHSQZNIZBJL-GFCCVEGCSA-N -1 3 388.411 3.581 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1cnccc1C(F)(F)F ZINC000442914864 858220817 /nfs/dbraw/zinc/22/08/17/858220817.db2.gz OALFYAKEFHYAAA-LBPRGKRZSA-N -1 3 392.399 3.755 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(F)cccc1F ZINC000158092102 858327420 /nfs/dbraw/zinc/32/74/20/858327420.db2.gz CJOZOCNMPQHQIX-CQSZACIVSA-N -1 3 380.822 3.718 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 ZINC000443092277 858349854 /nfs/dbraw/zinc/34/98/54/858349854.db2.gz JSSSEJYISVLCNV-UHFFFAOYSA-N -1 3 391.464 3.617 20 0 GHADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3c[n-]c4ccccc4c3=O)s2)c1 ZINC000115458273 858535971 /nfs/dbraw/zinc/53/59/71/858535971.db2.gz YHSSJPYQYYGRIY-UHFFFAOYSA-N -1 3 376.441 3.916 20 0 GHADHM O=c1[n-]nc(SCc2ncc(-c3cccs3)o2)n1CCc1ccccc1 ZINC000067428704 858564663 /nfs/dbraw/zinc/56/46/63/858564663.db2.gz SIJLQIURNLDANZ-UHFFFAOYSA-N -1 3 384.486 3.823 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)c1nccs1 ZINC000560028807 858585055 /nfs/dbraw/zinc/58/50/55/858585055.db2.gz MTWQHGNKQHWBEE-VIFPVBQESA-N -1 3 395.731 3.989 20 0 GHADHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCCO4)c2O1 ZINC000443403773 858644271 /nfs/dbraw/zinc/64/42/71/858644271.db2.gz QAWXTRWONCCNJL-UHFFFAOYSA-N -1 3 395.864 3.626 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@H]2CCC[C@H](C)C2)[nH][n-]1 ZINC000522141253 858663209 /nfs/dbraw/zinc/66/32/09/858663209.db2.gz PJORMRMDBCXZSG-JSGCOSHPSA-N -1 3 377.872 3.694 20 0 GHADHM COC(=O)[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]2CCCC[C@H]12 ZINC000595729348 858666805 /nfs/dbraw/zinc/66/68/05/858666805.db2.gz DPGKIAJCSXASJO-IIAWOOMASA-N -1 3 395.459 3.635 20 0 GHADHM O=C(Nc1c([O-])cccc1F)c1ccc(C(=O)Nc2c(O)cccc2F)cc1 ZINC000605436524 863050612 /nfs/dbraw/zinc/05/06/12/863050612.db2.gz KKQGWKQYOJAGOJ-UHFFFAOYSA-N -1 3 384.338 3.881 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000171969686 863053072 /nfs/dbraw/zinc/05/30/72/863053072.db2.gz HKJJRSAQJYHQTG-NXEZZACHSA-N -1 3 393.336 3.599 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)cc1F ZINC000543170588 858715284 /nfs/dbraw/zinc/71/52/84/858715284.db2.gz ZTLPRLSAZTVSJW-CQSZACIVSA-N -1 3 399.312 3.694 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2csc(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000895236703 858839817 /nfs/dbraw/zinc/83/98/17/858839817.db2.gz PEVYYSUZWSYPBC-SNVBAGLBSA-N -1 3 391.884 3.609 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000895236703 858839829 /nfs/dbraw/zinc/83/98/29/858839829.db2.gz PEVYYSUZWSYPBC-SNVBAGLBSA-N -1 3 391.884 3.609 20 0 GHADHM O=C(NCc1ccc(OC2CCCCC2)nc1)c1cc(=O)c2ccccc2[n-]1 ZINC000522221624 858854253 /nfs/dbraw/zinc/85/42/53/858854253.db2.gz ZPUHWVUCZJIBPE-UHFFFAOYSA-N -1 3 377.444 3.565 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cnc(-c3ccc(C)c(C)c3)s2)n[n-]1 ZINC000895241638 858876960 /nfs/dbraw/zinc/87/69/60/858876960.db2.gz OKJGLYCBRBFBLY-ZDUSSCGKSA-N -1 3 385.493 3.573 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2cnc(-c3ccc(C)c(C)c3)s2)[n-]1 ZINC000895241638 858876974 /nfs/dbraw/zinc/87/69/74/858876974.db2.gz OKJGLYCBRBFBLY-ZDUSSCGKSA-N -1 3 385.493 3.573 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cnc(-c3ccc(C)c(C)c3)s2)n1 ZINC000895241638 858876985 /nfs/dbraw/zinc/87/69/85/858876985.db2.gz OKJGLYCBRBFBLY-ZDUSSCGKSA-N -1 3 385.493 3.573 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c([O-])c1 ZINC000094098737 859013796 /nfs/dbraw/zinc/01/37/96/859013796.db2.gz AUPGJQBEHZVUNK-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC000482981303 859029785 /nfs/dbraw/zinc/02/97/85/859029785.db2.gz RFLWOAVPEYSREM-UHFFFAOYSA-N -1 3 389.381 3.798 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc(C)oc3-c3ccccc3)nc21 ZINC000185228740 859060489 /nfs/dbraw/zinc/06/04/89/859060489.db2.gz CCXADYBKJKIZDY-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(OCc3cccc(F)c3)c2)c(=O)[n-]1 ZINC000543276895 859108963 /nfs/dbraw/zinc/10/89/63/859108963.db2.gz FBRMVPNQMMRWRD-UHFFFAOYSA-N -1 3 382.395 3.530 20 0 GHADHM OC1(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCCC1 ZINC000738390192 859143347 /nfs/dbraw/zinc/14/33/47/859143347.db2.gz QATDNWPVZFOHHD-UHFFFAOYSA-N -1 3 379.464 3.553 20 0 GHADHM OC1(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCCCC1 ZINC000738390192 859143350 /nfs/dbraw/zinc/14/33/50/859143350.db2.gz QATDNWPVZFOHHD-UHFFFAOYSA-N -1 3 379.464 3.553 20 0 GHADHM OC1(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCCCC1 ZINC000738387579 859145953 /nfs/dbraw/zinc/14/59/53/859145953.db2.gz BDKJJWBGMQWYSE-UHFFFAOYSA-N -1 3 397.454 3.692 20 0 GHADHM OC1(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCCCC1 ZINC000738387579 859145958 /nfs/dbraw/zinc/14/59/58/859145958.db2.gz BDKJJWBGMQWYSE-UHFFFAOYSA-N -1 3 397.454 3.692 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000193457764 859163414 /nfs/dbraw/zinc/16/34/14/859163414.db2.gz DMJDIUGKSXAMRK-UHFFFAOYSA-N -1 3 399.834 3.567 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C)c4ccccc43)nc(=O)c2c1C ZINC000194236595 859248745 /nfs/dbraw/zinc/24/87/45/859248745.db2.gz LBPMZVJCHYITMB-NSHDSACASA-N -1 3 383.473 3.593 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1)C(=O)[O-] ZINC000909519019 859250118 /nfs/dbraw/zinc/25/01/18/859250118.db2.gz GWJUCTKZUQCNIG-QFBILLFUSA-N -1 3 398.478 3.940 20 0 GHADHM Cc1ncc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c(=O)[n-]1 ZINC000543317445 859253586 /nfs/dbraw/zinc/25/35/86/859253586.db2.gz RCUZXHWAOULCQN-UHFFFAOYSA-N -1 3 392.440 3.804 20 0 GHADHM Cc1ncc(CNC(=O)NCc2ccc(Sc3ccccc3)cc2)c(=O)[n-]1 ZINC000543342953 859319820 /nfs/dbraw/zinc/31/98/20/859319820.db2.gz YSBRFUQINLBRIZ-UHFFFAOYSA-N -1 3 380.473 3.641 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923471672 859341321 /nfs/dbraw/zinc/34/13/21/859341321.db2.gz YEBMBWBUFDXVAW-MAUKXSAKSA-N -1 3 385.291 3.676 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000923468378 859344785 /nfs/dbraw/zinc/34/47/85/859344785.db2.gz UIGWCLUESMVGIG-VGSWGCGISA-N -1 3 387.524 3.581 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CCc2ccccc2)no1 ZINC000113745384 859346064 /nfs/dbraw/zinc/34/60/64/859346064.db2.gz KRFKTSHUIMRSLU-CYBMUJFWSA-N -1 3 391.880 3.548 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@]4(CC(F)(F)C4(F)F)C3)nc2)n1 ZINC000895393570 859379751 /nfs/dbraw/zinc/37/97/51/859379751.db2.gz YTLHNPFLQBIXOR-INIZCTEOSA-N -1 3 382.361 3.677 20 0 GHADHM O=C([O-])[C@@H]1CN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C[C@H]1C1CC1 ZINC000923529805 859399343 /nfs/dbraw/zinc/39/93/43/859399343.db2.gz RODUWVOWKZHXPP-ZCNNSNEGSA-N -1 3 382.435 3.548 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000543374153 859445632 /nfs/dbraw/zinc/44/56/32/859445632.db2.gz JMHBIUTXEXHHOS-GOSISDBHSA-N -1 3 382.851 3.733 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483552192 859456918 /nfs/dbraw/zinc/45/69/18/859456918.db2.gz ANJWSVYAHVPGGB-ZIAGYGMSSA-N -1 3 381.402 3.610 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)cc1Cl ZINC000543688008 859459672 /nfs/dbraw/zinc/45/96/72/859459672.db2.gz RPLXTQPIXZQELM-LLVKDONJSA-N -1 3 384.860 3.520 20 0 GHADHM Cc1cc([C@H]2CN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CCO2)ccc1F ZINC000764495115 859467479 /nfs/dbraw/zinc/46/74/79/859467479.db2.gz QQVXKVMLOPKJFO-HXUWFJFHSA-N -1 3 383.419 3.828 20 0 GHADHM O=C(OCc1ccc(C(F)F)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000764525932 859485435 /nfs/dbraw/zinc/48/54/35/859485435.db2.gz XUILIERBZDQGOP-UHFFFAOYSA-N -1 3 399.390 3.561 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1ccc(Br)s1 ZINC000134666853 859492608 /nfs/dbraw/zinc/49/26/08/859492608.db2.gz PCOLTISJMOXDJW-LLVKDONJSA-N -1 3 394.356 3.671 20 0 GHADHM CO[C@H](C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccc(O)cc1 ZINC000764618134 859536258 /nfs/dbraw/zinc/53/62/58/859536258.db2.gz ZMZQWMFPMJZJLO-BONVTDFDSA-N -1 3 388.445 3.711 20 0 GHADHM Cc1c2cccc(C)c2oc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503542 859612727 /nfs/dbraw/zinc/61/27/27/859612727.db2.gz JIJSMSDOMDHGRT-TZMCWYRMSA-N -1 3 381.432 3.543 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])oc2c1c(C)ccc2C ZINC000673502469 859624112 /nfs/dbraw/zinc/62/41/12/859624112.db2.gz CWWKFCOAAQTWNR-ZFWWWQNUSA-N -1 3 395.459 3.852 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383594723 859664445 /nfs/dbraw/zinc/66/44/45/859664445.db2.gz OSXZOQXZEUBBIR-MRXNPFEDSA-N -1 3 389.293 3.501 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3OC3CCC3)cc2)n1 ZINC000118216194 859757974 /nfs/dbraw/zinc/75/79/74/859757974.db2.gz BAFHQVUQGSXNST-UHFFFAOYSA-N -1 3 375.428 3.929 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000474304146 859813933 /nfs/dbraw/zinc/81/39/33/859813933.db2.gz QSFXLTNEZUUNOV-LLVKDONJSA-N -1 3 386.926 3.557 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000436494276 859936769 /nfs/dbraw/zinc/93/67/69/859936769.db2.gz LATFHJRJZPNCIU-UHFFFAOYSA-N -1 3 377.799 3.875 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1C ZINC000053366430 859953261 /nfs/dbraw/zinc/95/32/61/859953261.db2.gz SAHKYVAKZWGSOZ-UHFFFAOYSA-N -1 3 383.473 3.695 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cc2cccc(F)c2o1 ZINC000474385612 859955615 /nfs/dbraw/zinc/95/56/15/859955615.db2.gz UGEINAFXUJBARR-JTQLQIEISA-N -1 3 395.383 3.537 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)s1 ZINC000280863636 860009016 /nfs/dbraw/zinc/00/90/16/860009016.db2.gz AYGNZCAZDIIKAA-LLVKDONJSA-N -1 3 391.459 3.526 20 0 GHADHM O=C([O-])C[C@@H](Cc1ccccc1)NCc1ncc(Br)cc1Cl ZINC000904004527 860037411 /nfs/dbraw/zinc/03/74/11/860037411.db2.gz MJTDGIGXGZLZAS-CYBMUJFWSA-N -1 3 383.673 3.673 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000060787226 860038643 /nfs/dbraw/zinc/03/86/43/860038643.db2.gz QCNVQWQSZRTUME-QFIPXVFZSA-N -1 3 387.435 3.723 20 0 GHADHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000727360546 860053698 /nfs/dbraw/zinc/05/36/98/860053698.db2.gz BFTCVWZOCDUGEE-CMDGGOBGSA-N -1 3 384.299 3.813 20 0 GHADHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000727362843 860065017 /nfs/dbraw/zinc/06/50/17/860065017.db2.gz VEVHLLNECRNGFD-CMDGGOBGSA-N -1 3 396.310 3.949 20 0 GHADHM Cn1ccc(-c2nc(CNC[C@@H](CC(=O)[O-])C3CCCCCC3)cs2)n1 ZINC000904026817 860068197 /nfs/dbraw/zinc/06/81/97/860068197.db2.gz LVOVJLQBIXOKHQ-OAHLLOKOSA-N -1 3 376.526 3.695 20 0 GHADHM Cc1ccc(C)c(Oc2cccc(Cl)c2CN[C@@H](CCO)C(=O)[O-])c1C ZINC000904052756 860072059 /nfs/dbraw/zinc/07/20/59/860072059.db2.gz IOYWDSUTELPHEB-KRWDZBQOSA-N -1 3 377.868 3.983 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](Sc2ccccc2)C1)c1cnc(Cl)c(Cl)c1 ZINC001213276195 860079441 /nfs/dbraw/zinc/07/94/41/860079441.db2.gz JJALXGLYZZQZMA-UMSPYCQHSA-N -1 3 389.329 3.990 20 0 GHADHM Cc1c([C@H](NCc2ccc(OCc3ccc(C)cc3)cc2)C(=O)[O-])cnn1C ZINC000904047112 860092417 /nfs/dbraw/zinc/09/24/17/860092417.db2.gz BLTQDFCCNBEPNX-NRFANRHFSA-N -1 3 379.460 3.531 20 0 GHADHM Cc1cccc(C)c1C[C@H](NCc1c(F)cccc1Br)C(=O)[O-] ZINC000904072059 860096965 /nfs/dbraw/zinc/09/69/65/860096965.db2.gz RTPRGMOWINGAFD-KRWDZBQOSA-N -1 3 380.257 3.991 20 0 GHADHM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cc([O-])c2ccccc2c1 ZINC000525928765 860135561 /nfs/dbraw/zinc/13/55/61/860135561.db2.gz KIFSZGGOAICCRL-UHFFFAOYSA-N -1 3 381.395 3.927 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cn2)C[C@H](C)O1 ZINC000526031324 860142667 /nfs/dbraw/zinc/14/26/67/860142667.db2.gz UBMSOVKWXSLDBV-GASCZTMLSA-N -1 3 377.444 3.806 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1OC1CCOCC1 ZINC000154559009 860176759 /nfs/dbraw/zinc/17/67/59/860176759.db2.gz YWDRSGVTVXESOR-UHFFFAOYSA-N -1 3 379.453 3.801 20 0 GHADHM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cc([O-])c2ccccc2c1 ZINC000527458620 860180587 /nfs/dbraw/zinc/18/05/87/860180587.db2.gz UARZUVSCPYJEGV-UHFFFAOYSA-N -1 3 389.411 3.776 20 0 GHADHM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc([O-])c2ccccc2c1 ZINC000471747580 860191646 /nfs/dbraw/zinc/19/16/46/860191646.db2.gz WCMURGMCYXLVRK-UHFFFAOYSA-N -1 3 376.334 3.812 20 0 GHADHM Cc1cc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)ccc1F ZINC000602739372 860245046 /nfs/dbraw/zinc/24/50/46/860245046.db2.gz IPKOAUDWJPWDPH-UHFFFAOYSA-N -1 3 389.224 3.668 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]1c1ccccn1 ZINC000602754143 860258388 /nfs/dbraw/zinc/25/83/88/860258388.db2.gz LRQFKHFQIYJNJZ-KRWDZBQOSA-N -1 3 398.260 3.663 20 0 GHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nc(C2CCCC2)no1 ZINC000904351359 860358615 /nfs/dbraw/zinc/35/86/15/860358615.db2.gz CAPUSLWVEOJNSM-MRXNPFEDSA-N -1 3 395.550 3.808 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000484800311 860359279 /nfs/dbraw/zinc/35/92/79/860359279.db2.gz XTWIIFWNNBKCPG-PWSUYJOCSA-N -1 3 385.835 3.996 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1nc(C2CCCCC2)no1 ZINC000174065812 860445044 /nfs/dbraw/zinc/44/50/44/860445044.db2.gz JEPLYZXLFDZIJO-CYBMUJFWSA-N -1 3 386.477 3.705 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1nc(C2CCCCC2)no1 ZINC000174067848 860445393 /nfs/dbraw/zinc/44/53/93/860445393.db2.gz OSERBWQSAGSTAG-ZDUSSCGKSA-N -1 3 386.477 3.705 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603042540 860454706 /nfs/dbraw/zinc/45/47/06/860454706.db2.gz JPKJAILEFHVXQU-VHSXEESVSA-N -1 3 384.855 3.659 20 0 GHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cscc2C(F)(F)F)s1 ZINC000598655381 860489758 /nfs/dbraw/zinc/48/97/58/860489758.db2.gz RUXHFUSRMIFSSK-UHFFFAOYSA-N -1 3 397.425 3.526 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000598657903 860493285 /nfs/dbraw/zinc/49/32/85/860493285.db2.gz RIQZINYWGZRRHL-VIFPVBQESA-N -1 3 399.806 3.708 20 0 GHADHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000765734182 860506963 /nfs/dbraw/zinc/50/69/63/860506963.db2.gz DSYVGXOZCSNUML-UHFFFAOYSA-N -1 3 394.349 3.663 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(OCc2ccccn2)c1 ZINC000436662457 860545517 /nfs/dbraw/zinc/54/55/17/860545517.db2.gz CWWKVINMBOFBLG-CQSZACIVSA-N -1 3 392.411 3.586 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730204524 860950665 /nfs/dbraw/zinc/95/06/65/860950665.db2.gz ZSSBOPWNHKLWEB-UHFFFAOYSA-N -1 3 389.452 3.847 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3Cc4cccc(C)c4O3)c2)n1 ZINC001125149965 860950766 /nfs/dbraw/zinc/95/07/66/860950766.db2.gz JWEWZXNFWJFMMH-SFHVURJKSA-N -1 3 375.428 3.662 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1noc(-c2ccccc2C)n1 ZINC000625131078 860985860 /nfs/dbraw/zinc/98/58/60/860985860.db2.gz AEWJVVZZOZONAG-UHFFFAOYSA-N -1 3 387.452 3.536 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCCCc3ccc(C)cc3C)c(=O)c2c(OC)c1 ZINC000623517283 861148649 /nfs/dbraw/zinc/14/86/49/861148649.db2.gz YVWRNVZAGJWLMG-UHFFFAOYSA-N -1 3 394.471 3.525 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc(OC)ccc4[nH]3)c2)n1 ZINC000189136233 881621204 /nfs/dbraw/zinc/62/12/04/881621204.db2.gz JLQGAGNZYQZYCR-UHFFFAOYSA-N -1 3 388.427 3.742 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ncc(-c2ccccc2)o1 ZINC000182056530 863106575 /nfs/dbraw/zinc/10/65/75/863106575.db2.gz CGCUOKWSEPIUOS-NSHDSACASA-N -1 3 397.378 3.795 20 0 GHADHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000522715681 863126590 /nfs/dbraw/zinc/12/65/90/863126590.db2.gz WNASKBREGXVSAB-NSHDSACASA-N -1 3 390.361 3.812 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000733798471 863190524 /nfs/dbraw/zinc/19/05/24/863190524.db2.gz AHBBXUYFXPEDNC-SECBINFHSA-N -1 3 396.734 3.968 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000159202066 863259774 /nfs/dbraw/zinc/25/97/74/863259774.db2.gz CYSCHAOKBNWQOL-SWLSCSKDSA-N -1 3 379.229 3.649 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605896318 863275286 /nfs/dbraw/zinc/27/52/86/863275286.db2.gz DDOGKJOPHLZJBN-SYNHAJSKSA-N -1 3 396.462 3.541 20 0 GHADHM CCc1nc(C(=O)[N-]c2ncn(C3CCCCC3)n2)nn1-c1ccccc1Cl ZINC000182683182 863328221 /nfs/dbraw/zinc/32/82/21/863328221.db2.gz LOODULGSQBNXKE-UHFFFAOYSA-N -1 3 399.886 3.832 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)cc1C ZINC000444200068 863658082 /nfs/dbraw/zinc/65/80/82/863658082.db2.gz WXEPTXLPNGKEOX-HDICACEKSA-N -1 3 388.533 3.713 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000606536592 863695272 /nfs/dbraw/zinc/69/52/72/863695272.db2.gz BMGFYBSIMNTOKJ-UHFFFAOYSA-N -1 3 394.431 3.771 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000606536954 863695437 /nfs/dbraw/zinc/69/54/37/863695437.db2.gz JVEFEMMYZKUXDT-UHFFFAOYSA-N -1 3 397.303 3.805 20 0 GHADHM COCc1cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)ccc1F ZINC000522947632 863781601 /nfs/dbraw/zinc/78/16/01/863781601.db2.gz QDYASNCGZZPJCF-UHFFFAOYSA-N -1 3 396.422 3.765 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000606750675 863817834 /nfs/dbraw/zinc/81/78/34/863817834.db2.gz DPZPYOBKOKWGCZ-UHFFFAOYSA-N -1 3 396.443 3.937 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2ccc(Sc3ccccc3)cc2)c(=O)[n-]1 ZINC000132751799 881699459 /nfs/dbraw/zinc/69/94/59/881699459.db2.gz BRQIWZXSOAKEAB-UHFFFAOYSA-N -1 3 393.512 3.787 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000606828500 863861958 /nfs/dbraw/zinc/86/19/58/863861958.db2.gz WJWQLICLDYBXAF-GOSISDBHSA-N -1 3 375.490 3.953 20 0 GHADHM COc1cc(F)c([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)cc1OC ZINC000733989031 863905655 /nfs/dbraw/zinc/90/56/55/863905655.db2.gz GBDQYWDTYABHAH-NSHDSACASA-N -1 3 397.349 3.504 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000606909036 863931991 /nfs/dbraw/zinc/93/19/91/863931991.db2.gz VVDCWIKYWGGGQH-UHFFFAOYSA-N -1 3 391.361 3.994 20 0 GHADHM CCc1ccc(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c([O-])c1 ZINC000621232800 863934332 /nfs/dbraw/zinc/93/43/32/863934332.db2.gz ZNKNEHUKNVIXPD-UHFFFAOYSA-N -1 3 381.407 3.557 20 0 GHADHM CCOc1ccc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1OCC ZINC000621530599 864229219 /nfs/dbraw/zinc/22/92/19/864229219.db2.gz YEQMZBJGYWDGCY-UHFFFAOYSA-N -1 3 381.432 3.557 20 0 GHADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)C1 ZINC000621565729 864258654 /nfs/dbraw/zinc/25/86/54/864258654.db2.gz KBMZSDUQBQHXNQ-ZDUSSCGKSA-N -1 3 398.425 3.522 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=S)NC3CC3)c2)c(C)c1 ZINC000007505529 864290228 /nfs/dbraw/zinc/29/02/28/864290228.db2.gz FBGWHGVEHBUTBN-UHFFFAOYSA-N -1 3 389.546 3.861 20 0 GHADHM CSc1nc(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)n[n-]1 ZINC000607337307 864311622 /nfs/dbraw/zinc/31/16/22/864311622.db2.gz NSGUNFSZIAWPMW-UHFFFAOYSA-N -1 3 382.449 3.731 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2csc(Cc3ccccc3)n2)[nH][n-]1 ZINC000621654505 864349829 /nfs/dbraw/zinc/34/98/29/864349829.db2.gz DCDOYUASRRUWGC-UHFFFAOYSA-N -1 3 390.468 3.807 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1OC ZINC000607616862 864562328 /nfs/dbraw/zinc/56/23/28/864562328.db2.gz ZHMDDVMMWIMPFN-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM Cc1nc2cc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)ccc2n1[C@H](C)CO ZINC000622094346 864770174 /nfs/dbraw/zinc/77/01/74/864770174.db2.gz JDGWZRJQZVRXPB-SNVBAGLBSA-N -1 3 393.365 3.875 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000167605546 864786678 /nfs/dbraw/zinc/78/66/78/864786678.db2.gz UJLBDIPBSXANRH-GXFFZTMASA-N -1 3 389.370 3.688 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nccs1 ZINC000156332072 864941901 /nfs/dbraw/zinc/94/19/01/864941901.db2.gz OPALGDUYXFVUKP-CYBMUJFWSA-N -1 3 393.303 3.648 20 0 GHADHM Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc(N2CCCC2)n1 ZINC000622606660 865098488 /nfs/dbraw/zinc/09/84/88/865098488.db2.gz IEMRDEZCAAYHCX-UHFFFAOYSA-N -1 3 379.382 3.645 20 0 GHADHM C[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1cccs1 ZINC000736025064 865117142 /nfs/dbraw/zinc/11/71/42/865117142.db2.gz HWEQRVPZJZXSNK-JTQLQIEISA-N -1 3 392.941 3.747 20 0 GHADHM C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1cccs1 ZINC000736025064 865117149 /nfs/dbraw/zinc/11/71/49/865117149.db2.gz HWEQRVPZJZXSNK-JTQLQIEISA-N -1 3 392.941 3.747 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000736192728 865152213 /nfs/dbraw/zinc/15/22/13/865152213.db2.gz LXNKKSQEQKZVEF-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000736192728 865152220 /nfs/dbraw/zinc/15/22/20/865152220.db2.gz LXNKKSQEQKZVEF-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000533972668 865174762 /nfs/dbraw/zinc/17/47/62/865174762.db2.gz KQDLYIYHVVWRFE-AWEZNQCLSA-N -1 3 397.283 3.853 20 0 GHADHM C[C@@H]1Cc2ccccc2CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736296066 865178196 /nfs/dbraw/zinc/17/81/96/865178196.db2.gz CNDMLSKXJGOYFT-LLVKDONJSA-N -1 3 384.896 3.664 20 0 GHADHM C[C@@H]1Cc2ccccc2CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736296066 865178206 /nfs/dbraw/zinc/17/82/06/865178206.db2.gz CNDMLSKXJGOYFT-LLVKDONJSA-N -1 3 384.896 3.664 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736452695 865210837 /nfs/dbraw/zinc/21/08/37/865210837.db2.gz HPHWKFCEGMWRJH-UHFFFAOYSA-N -1 3 382.443 3.519 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736452695 865210849 /nfs/dbraw/zinc/21/08/49/865210849.db2.gz HPHWKFCEGMWRJH-UHFFFAOYSA-N -1 3 382.443 3.519 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 ZINC000120989181 881850237 /nfs/dbraw/zinc/85/02/37/881850237.db2.gz BLXLXUZRWOBYAJ-UHFFFAOYSA-N -1 3 396.447 3.939 20 0 GHADHM COCCCOc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000608359720 865258227 /nfs/dbraw/zinc/25/82/27/865258227.db2.gz OUZHFFQVXVVDQO-UHFFFAOYSA-N -1 3 385.851 3.820 20 0 GHADHM COc1ccc([N-]S(=O)(=O)CCc2c(F)cccc2F)c(C(F)(F)F)c1 ZINC000629287236 865261153 /nfs/dbraw/zinc/26/11/53/865261153.db2.gz PODMCLKLEHKKOO-UHFFFAOYSA-N -1 3 395.349 3.977 20 0 GHADHM CCc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1 ZINC000736684249 865264662 /nfs/dbraw/zinc/26/46/62/865264662.db2.gz WVWWMEAHIRLJCQ-GFCCVEGCSA-N -1 3 381.505 3.797 20 0 GHADHM CCc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1 ZINC000736684249 865264680 /nfs/dbraw/zinc/26/46/80/865264680.db2.gz WVWWMEAHIRLJCQ-GFCCVEGCSA-N -1 3 381.505 3.797 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 ZINC000608392704 865307848 /nfs/dbraw/zinc/30/78/48/865307848.db2.gz OPMPNHZRIGOWBC-AWEZNQCLSA-N -1 3 386.879 3.830 20 0 GHADHM COC(=O)c1cc2cc(CSc3nc(C)cc(C)c3-c3nnn[n-]3)ccc2o1 ZINC000736951180 865334348 /nfs/dbraw/zinc/33/43/48/865334348.db2.gz OBNGYQORKULXMW-UHFFFAOYSA-N -1 3 395.444 3.704 20 0 GHADHM COC(=O)c1cc2cc(CSc3nc(C)cc(C)c3-c3nn[n-]n3)ccc2o1 ZINC000736951180 865334362 /nfs/dbraw/zinc/33/43/62/865334362.db2.gz OBNGYQORKULXMW-UHFFFAOYSA-N -1 3 395.444 3.704 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737027007 865350617 /nfs/dbraw/zinc/35/06/17/865350617.db2.gz WRALWDBMOXOKPA-ZDUSSCGKSA-N -1 3 398.850 3.944 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737027007 865350634 /nfs/dbraw/zinc/35/06/34/865350634.db2.gz WRALWDBMOXOKPA-ZDUSSCGKSA-N -1 3 398.850 3.944 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(Cl)c1 ZINC000737065898 865356039 /nfs/dbraw/zinc/35/60/39/865356039.db2.gz JDVYBVBJYBOHSU-UHFFFAOYSA-N -1 3 385.855 3.580 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(Cl)c1 ZINC000737065898 865356058 /nfs/dbraw/zinc/35/60/58/865356058.db2.gz JDVYBVBJYBOHSU-UHFFFAOYSA-N -1 3 385.855 3.580 20 0 GHADHM COc1cccc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000737132650 865363883 /nfs/dbraw/zinc/36/38/83/865363883.db2.gz OQGMSCUUNWNJHI-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM COc1cccc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000737132650 865363899 /nfs/dbraw/zinc/36/38/99/865363899.db2.gz OQGMSCUUNWNJHI-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000174054100 865376639 /nfs/dbraw/zinc/37/66/39/865376639.db2.gz ZFQXCAGPNDDOPP-UHFFFAOYSA-N -1 3 376.478 3.566 20 0 GHADHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000480835774 865380928 /nfs/dbraw/zinc/38/09/28/865380928.db2.gz CTJLRSDGELJZQC-LBPRGKRZSA-N -1 3 388.320 3.607 20 0 GHADHM O=C(NCCNc1ccc2cc(Br)ccc2n1)c1ccc([O-])cc1 ZINC000301561642 865426829 /nfs/dbraw/zinc/42/68/29/865426829.db2.gz YBDLBHYXDBEUDT-UHFFFAOYSA-N -1 3 386.249 3.545 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc(F)c(Cl)c2)o1 ZINC000063875359 865543851 /nfs/dbraw/zinc/54/38/51/865543851.db2.gz FHCUOHISNADAMM-UHFFFAOYSA-N -1 3 398.891 3.545 20 0 GHADHM Cc1ccc(SCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000738352169 865545483 /nfs/dbraw/zinc/54/54/83/865545483.db2.gz DKMNYKRZWSDQTD-UHFFFAOYSA-N -1 3 377.318 3.767 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cnc(Cl)c(Cl)c1 ZINC000738365132 865546912 /nfs/dbraw/zinc/54/69/12/865546912.db2.gz XLTCJFFPFHBTCI-GFCCVEGCSA-N -1 3 393.679 3.844 20 0 GHADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)c1 ZINC000555123521 865563328 /nfs/dbraw/zinc/56/33/28/865563328.db2.gz KPXCZYSHTJFNGL-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM CC(C)(C)c1nc([N-][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)no1 ZINC000302160062 865740115 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CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cc(=O)c([O-])co2)c(Cl)c1 ZINC000741054336 866194641 /nfs/dbraw/zinc/19/46/41/866194641.db2.gz RBHCQDQIPPHGLK-UHFFFAOYSA-N -1 3 395.795 3.703 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C(C)C)C3CC3)cs2)c1 ZINC000620040419 866299763 /nfs/dbraw/zinc/29/97/63/866299763.db2.gz AQXFAVHFKUGETQ-GOSISDBHSA-N -1 3 387.505 3.503 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000857058647 881973472 /nfs/dbraw/zinc/97/34/72/881973472.db2.gz XCYUBQAAZNSRLY-LLVKDONJSA-N -1 3 394.349 3.859 20 0 GHADHM Fc1cccc(-c2csc([N-]c3ncnc4c3cnn4-c3ncccn3)n2)c1 ZINC000163157187 866461111 /nfs/dbraw/zinc/46/11/11/866461111.db2.gz LRVXHDRHAOUXJK-UHFFFAOYSA-N -1 3 390.407 3.612 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000523106916 866465786 /nfs/dbraw/zinc/46/57/86/866465786.db2.gz DSTMZXWYKKJTDI-UHFFFAOYSA-N -1 3 391.798 3.772 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000183368802 866650986 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397.846 3.841 20 0 GHADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@H]1c1ccccc1 ZINC000534638078 867165012 /nfs/dbraw/zinc/16/50/12/867165012.db2.gz JEVTYSAMUQQOGH-SMDDNHRTSA-N -1 3 391.345 3.779 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1 ZINC000153971826 867183692 /nfs/dbraw/zinc/18/36/92/867183692.db2.gz IMWSGINRWVQAMX-UHFFFAOYSA-N -1 3 376.547 3.653 20 0 GHADHM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cncc(Cl)c1 ZINC000479131309 867195471 /nfs/dbraw/zinc/19/54/71/867195471.db2.gz GINBANCWCQOICL-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2ncccc21 ZINC000479132468 867197259 /nfs/dbraw/zinc/19/72/59/867197259.db2.gz QVYLZRDDIVSMDZ-MRXNPFEDSA-N -1 3 384.354 3.956 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Sc1ccccc1 ZINC000742331996 867212039 /nfs/dbraw/zinc/21/20/39/867212039.db2.gz BNUYNUFWOFJSRB-SNVBAGLBSA-N -1 3 377.318 3.848 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c1Cl ZINC000620751507 867250004 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20 0 GHADHM CC[C@@](C)(OC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000479362714 867667222 /nfs/dbraw/zinc/66/72/22/867667222.db2.gz JLVNWHWEZGNSFD-LJQANCHMSA-N -1 3 376.478 3.549 20 0 GHADHM CCCN(C)[C@H](CN=c1[n-]nc(-c2ccon2)s1)c1ccc(Cl)cc1 ZINC000553578767 867675238 /nfs/dbraw/zinc/67/52/38/867675238.db2.gz ZXQMKPZFKWKDSS-OAHLLOKOSA-N -1 3 377.901 3.763 20 0 GHADHM Cc1ccoc1CN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000553605817 867744134 /nfs/dbraw/zinc/74/41/34/867744134.db2.gz OPQXLMAMPWBLKH-UHFFFAOYSA-N -1 3 399.472 3.512 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000194236972 882115538 /nfs/dbraw/zinc/11/55/38/882115538.db2.gz NECKIWXRCAKDLA-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)cc1Br ZINC000743047696 867780905 /nfs/dbraw/zinc/78/09/05/867780905.db2.gz MLIMBNHCVWOKDK-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1N(C)C ZINC000743047342 867782500 /nfs/dbraw/zinc/78/25/00/867782500.db2.gz INMQMPOPCOOVGQ-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)n[n-]2)o1 ZINC000479476380 867836678 /nfs/dbraw/zinc/83/66/78/867836678.db2.gz PPUNVNZTSQYSBH-CHWSQXEVSA-N -1 3 387.237 3.878 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000920482720 882125941 /nfs/dbraw/zinc/12/59/41/882125941.db2.gz WFXJBNUFOKQMTE-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(CSc3ccccn3)c2)c(=O)[n-]1 ZINC000155299103 867857170 /nfs/dbraw/zinc/85/71/70/867857170.db2.gz FFYPPOODJOINIG-UHFFFAOYSA-N -1 3 394.500 3.645 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C)n[n-]2)o1 ZINC000479472722 867869881 /nfs/dbraw/zinc/86/98/81/867869881.db2.gz USGBYJNFQLDFNC-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM CCc1ncc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)s1 ZINC000523777106 867946997 /nfs/dbraw/zinc/94/69/97/867946997.db2.gz PFVVUQGDKGGLFS-UHFFFAOYSA-N -1 3 395.257 3.671 20 0 GHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]c1nn2cnnc2s1 ZINC000620907951 867980012 /nfs/dbraw/zinc/98/00/12/867980012.db2.gz ZUBGRFIXHZQSJL-UHFFFAOYSA-N -1 3 376.854 3.523 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(F)cc1F ZINC000743256165 868022817 /nfs/dbraw/zinc/02/28/17/868022817.db2.gz LAFHIADRXAYDMW-UHFFFAOYSA-N -1 3 396.415 3.563 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)[C@@H]3COc4ccccc43)cc2)cc(=O)[n-]1 ZINC000535090301 868147509 /nfs/dbraw/zinc/14/75/09/868147509.db2.gz YYNBDBUHKUBOMO-ACJLOTCBSA-N -1 3 390.443 3.844 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnc(C(F)(F)F)nc1 ZINC000155955615 868196929 /nfs/dbraw/zinc/19/69/29/868196929.db2.gz GXNIWHUXPVODND-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1Cl ZINC000121570362 882167508 /nfs/dbraw/zinc/16/75/08/882167508.db2.gz GOOHQFNYNWFHLS-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(C)cc1F ZINC000793393762 882169670 /nfs/dbraw/zinc/16/96/70/882169670.db2.gz HMGILBGVWNLLID-UHFFFAOYSA-N -1 3 393.436 3.510 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1cccnc1C(F)(F)F ZINC000553837741 868293808 /nfs/dbraw/zinc/29/38/08/868293808.db2.gz KLUVLUWZIPLTQT-KCJUWKMLSA-N -1 3 394.777 3.727 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccnc1C(F)(F)F ZINC000553881292 868419227 /nfs/dbraw/zinc/41/92/27/868419227.db2.gz MXBVHCWRBLPDJY-OCCSQVGLSA-N -1 3 388.386 3.854 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(Br)cc3F)no1)OCO2 ZINC000445448174 882197169 /nfs/dbraw/zinc/19/71/69/882197169.db2.gz QZOCHBQLIWBXJR-UHFFFAOYSA-N -1 3 379.141 3.740 20 0 GHADHM CCC(C)(C)[C@@H]1CCc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000553991912 868569929 /nfs/dbraw/zinc/56/99/29/868569929.db2.gz BIUCQWXQVSOEGT-LLVKDONJSA-N -1 3 396.534 3.933 20 0 GHADHM C[C@H](CC(F)(F)F)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000457664384 868598918 /nfs/dbraw/zinc/59/89/18/868598918.db2.gz VDHBYZUKTCIGIU-SNVBAGLBSA-N -1 3 392.805 3.811 20 0 GHADHM COc1cccc(CCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1OC ZINC000744218845 868673964 /nfs/dbraw/zinc/67/39/64/868673964.db2.gz UULFEVDCSPSYTF-UHFFFAOYSA-N -1 3 394.427 3.713 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(N4CCCC4=O)cc3)c2)n1 ZINC000744218557 868673985 /nfs/dbraw/zinc/67/39/85/868673985.db2.gz MZWUTNLIONLLCE-UHFFFAOYSA-N -1 3 389.411 3.504 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)c2)n1 ZINC000744218958 868674142 /nfs/dbraw/zinc/67/41/42/868674142.db2.gz IRGRLVAIEGRYNX-GFCCVEGCSA-N -1 3 386.354 3.809 20 0 GHADHM COc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc2c1O[C@H](C)C2 ZINC000744217427 868674304 /nfs/dbraw/zinc/67/43/04/868674304.db2.gz KMDKVYKMPIPLFC-CYBMUJFWSA-N -1 3 392.411 3.709 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)ccc2[nH]1 ZINC000535394934 868712908 /nfs/dbraw/zinc/71/29/08/868712908.db2.gz WSWMDXYBWWUXLT-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432997 882220890 /nfs/dbraw/zinc/22/08/90/882220890.db2.gz OZDVRAZMDDVLHZ-JTQLQIEISA-N -1 3 377.769 3.867 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)c([O-])c1 ZINC000535542319 868917281 /nfs/dbraw/zinc/91/72/81/868917281.db2.gz MIILIHLBPNALCG-UHFFFAOYSA-N -1 3 375.446 3.849 20 0 GHADHM CCC(CC)(CNC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000158412469 868942178 /nfs/dbraw/zinc/94/21/78/868942178.db2.gz KXVZVGFZVSYGOS-UHFFFAOYSA-N -1 3 389.927 3.847 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000158421411 868943490 /nfs/dbraw/zinc/94/34/90/868943490.db2.gz OEZRNGINPATULC-UHFFFAOYSA-N -1 3 389.864 3.919 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000524448156 869096379 /nfs/dbraw/zinc/09/63/79/869096379.db2.gz JDQSDGWYIJLFMM-HNNXBMFYSA-N -1 3 399.343 3.936 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462335983 869271969 /nfs/dbraw/zinc/27/19/69/869271969.db2.gz ZFLUEPMOWYHTLD-XXFAHNHDSA-N -1 3 393.814 3.812 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1nccs1 ZINC000462350849 869278983 /nfs/dbraw/zinc/27/89/83/869278983.db2.gz DFAWEFLMUGTLOB-MRVPVSSYSA-N -1 3 381.306 3.888 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c1Cl ZINC000462408856 869387793 /nfs/dbraw/zinc/38/77/93/869387793.db2.gz OKUQKAYIXUALOT-GFCCVEGCSA-N -1 3 375.321 3.940 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000446227959 869574471 /nfs/dbraw/zinc/57/44/71/869574471.db2.gz SOFUYSABDLDVCB-UHFFFAOYSA-N -1 3 382.485 3.692 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1[O-] ZINC000745654022 869722120 /nfs/dbraw/zinc/72/21/20/869722120.db2.gz RRDXTDSMJBQWSW-UHFFFAOYSA-N -1 3 397.330 3.538 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000462595210 869731343 /nfs/dbraw/zinc/73/13/43/869731343.db2.gz SVONSYPTROHDRJ-INIZCTEOSA-N -1 3 384.435 3.974 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1 ZINC000539858788 869905920 /nfs/dbraw/zinc/90/59/20/869905920.db2.gz OIHIKEHYQDJQOF-UHFFFAOYSA-N -1 3 392.459 3.946 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@H]1C ZINC000173136591 882352246 /nfs/dbraw/zinc/35/22/46/882352246.db2.gz MEAIWNIVPFQCFP-CQSZACIVSA-N -1 3 376.453 3.559 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)s1 ZINC000462725138 869948416 /nfs/dbraw/zinc/94/84/16/869948416.db2.gz YBJKXBIDNKQPMO-OWRWGESLSA-N -1 3 399.921 3.864 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1[O-] ZINC000746079049 869997279 /nfs/dbraw/zinc/99/72/79/869997279.db2.gz LFVNHECSMMGSMV-GFCCVEGCSA-N -1 3 397.387 3.847 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@H]1CSc2ccccc21 ZINC000640299370 882364524 /nfs/dbraw/zinc/36/45/24/882364524.db2.gz SFQZNPHWKIYBAF-VIFPVBQESA-N -1 3 390.818 3.532 20 0 GHADHM COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011809682 882376622 /nfs/dbraw/zinc/37/66/22/882376622.db2.gz WWRHNJUHENXGGG-MRVPVSSYSA-N -1 3 387.219 3.523 20 0 GHADHM O=C([N-]c1cc(Br)cc2n[nH]cc21)c1nc(Cc2ccccc2)no1 ZINC001192276423 870259137 /nfs/dbraw/zinc/25/91/37/870259137.db2.gz ODIKZLDWNJNPGZ-UHFFFAOYSA-N -1 3 398.220 3.552 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)sc1Cl ZINC000188066534 870266069 /nfs/dbraw/zinc/26/60/69/870266069.db2.gz DSULPLLPOSJQJY-UHFFFAOYSA-N -1 3 389.901 3.833 20 0 GHADHM CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1-c1ccncc1 ZINC000069298198 870288387 /nfs/dbraw/zinc/28/83/87/870288387.db2.gz RIPOXJMNYZEQPI-UHFFFAOYSA-N -1 3 394.456 3.773 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)nn3)CC2)c([O-])c1 ZINC001192322909 870288564 /nfs/dbraw/zinc/28/85/64/870288564.db2.gz RTSBBUNRTLPMSZ-UHFFFAOYSA-N -1 3 389.883 3.817 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc([C@H](C)O)cc3)cc2)cc(=O)[n-]1 ZINC000920837313 882403392 /nfs/dbraw/zinc/40/33/92/882403392.db2.gz XKHVUQVEFDOWFG-ZDUSSCGKSA-N -1 3 378.432 3.533 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCCO1 ZINC001212326805 870462691 /nfs/dbraw/zinc/46/26/91/870462691.db2.gz VHSJEPYRTZXBDJ-OLZOCXBDSA-N -1 3 385.835 3.985 20 0 GHADHM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746356449 870538109 /nfs/dbraw/zinc/53/81/09/870538109.db2.gz HIZDBLZLKAAHNH-KRWDZBQOSA-N -1 3 381.501 3.853 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000191328863 882427377 /nfs/dbraw/zinc/42/73/77/882427377.db2.gz ILKSRYXZZNYRFC-UHFFFAOYSA-N -1 3 391.427 3.748 20 0 GHADHM CCc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cnccc2Cl)cs1 ZINC001192928646 870794054 /nfs/dbraw/zinc/79/40/54/870794054.db2.gz HEWLEUPNSHQWGR-UHFFFAOYSA-N -1 3 393.921 3.899 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000122213172 882444352 /nfs/dbraw/zinc/44/43/52/882444352.db2.gz JMZNIKOYDXWBLV-CYBMUJFWSA-N -1 3 395.434 3.756 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2CCC3(CC3)CC2)cc1Cl ZINC001193162802 870927570 /nfs/dbraw/zinc/92/75/70/870927570.db2.gz RNLBQTZLENKXFD-UHFFFAOYSA-N -1 3 388.892 3.686 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(Br)c(=O)[n-]1 ZINC001193163096 870927838 /nfs/dbraw/zinc/92/78/38/870927838.db2.gz RCVKSRNRJFTCME-UHFFFAOYSA-N -1 3 381.657 3.665 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000617871784 870985240 /nfs/dbraw/zinc/98/52/40/870985240.db2.gz HHSOCUJWUKLRFK-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c[n-]1 ZINC000617871784 870985257 /nfs/dbraw/zinc/98/52/57/870985257.db2.gz HHSOCUJWUKLRFK-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC001169073860 871163675 /nfs/dbraw/zinc/16/36/75/871163675.db2.gz DOFLTLPDGPISCB-UHFFFAOYSA-N -1 3 384.823 3.688 20 0 GHADHM O=Cc1ccc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc2)s1 ZINC001169086161 871190844 /nfs/dbraw/zinc/19/08/44/871190844.db2.gz ZUHYIPUSZNTADN-UHFFFAOYSA-N -1 3 393.468 3.921 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000525694481 871250372 /nfs/dbraw/zinc/25/03/72/871250372.db2.gz LPUUHLWJXJOTOI-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001193733462 871250373 /nfs/dbraw/zinc/25/03/73/871250373.db2.gz JFDSLJHDWRTOLQ-QPJJXVBHSA-N -1 3 390.405 3.882 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)ccc1OC ZINC000447262210 871278508 /nfs/dbraw/zinc/27/85/08/871278508.db2.gz CNOBUIUQEDIOJF-UHFFFAOYSA-N -1 3 375.446 3.550 20 0 GHADHM COC(=O)c1c[nH]c2ccc(NC(=O)c3ccc([O-])cc3C(F)(F)F)cc21 ZINC001193747641 871288790 /nfs/dbraw/zinc/28/87/90/871288790.db2.gz LRVNVWRWZNKRHM-UHFFFAOYSA-N -1 3 378.306 3.931 20 0 GHADHM O=C(Nc1ccc(F)cc1N1CCOCC1)c1ccc([O-])cc1C(F)(F)F ZINC001193748220 871290246 /nfs/dbraw/zinc/29/02/46/871290246.db2.gz RWVTUJYZQNRSRZ-UHFFFAOYSA-N -1 3 384.329 3.639 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cn1)c1cccc(Cl)c1Cl ZINC001193819609 871326225 /nfs/dbraw/zinc/32/62/25/871326225.db2.gz NWYOIISPBFEQSN-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cncc(-c2ccsc2)c1 ZINC001193982842 871416078 /nfs/dbraw/zinc/41/60/78/871416078.db2.gz ZNBTXTZBKWZRBR-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CC1 ZINC000463329984 871455010 /nfs/dbraw/zinc/45/50/10/871455010.db2.gz ZTBMJNLSJGEEFC-NSHDSACASA-N -1 3 394.397 3.633 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CO)c3ccc(Cl)cc3)c2)n1 ZINC000506690982 871467367 /nfs/dbraw/zinc/46/73/67/871467367.db2.gz UTTRXXKEJFRHEC-GOSISDBHSA-N -1 3 397.862 3.780 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)c1ccccc1 ZINC001194096697 871502351 /nfs/dbraw/zinc/50/23/51/871502351.db2.gz MAFKNUDIPQRXGP-CQSZACIVSA-N -1 3 389.370 3.784 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1ccc(-c3cccs3)cc1)C(=O)N2 ZINC001194171006 871525338 /nfs/dbraw/zinc/52/53/38/871525338.db2.gz SLIKAYNXHSWTKI-SFHVURJKSA-N -1 3 384.482 3.695 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)Cc3cc(F)ccc3Cl)c2C1 ZINC001194325103 871620980 /nfs/dbraw/zinc/62/09/80/871620980.db2.gz DZKQYQPXEYIBET-UHFFFAOYSA-N -1 3 386.876 3.602 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)s1 ZINC000462127053 871623640 /nfs/dbraw/zinc/62/36/40/871623640.db2.gz HHRCURNAWHNJPE-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1nnn[n-]1 ZINC001169581044 871675534 /nfs/dbraw/zinc/67/55/34/871675534.db2.gz BAEVDQKIQLQWTC-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1nn[n-]n1 ZINC001169581044 871675542 /nfs/dbraw/zinc/67/55/42/871675542.db2.gz BAEVDQKIQLQWTC-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C)C[C@H](C)CC(C)(C)C2)c1 ZINC001194408103 871677891 /nfs/dbraw/zinc/67/78/91/871677891.db2.gz HIANVVSEBWSOBP-BFUOFWGJSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(Cl)c1 ZINC001194633661 871840192 /nfs/dbraw/zinc/84/01/92/871840192.db2.gz DCBSBCKGQWUNDU-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)C[C@@H]4CCC[C@H]4O)nc(=O)c3s2)cc1 ZINC000253555626 871879969 /nfs/dbraw/zinc/87/99/69/871879969.db2.gz GSWCNRDTNTYZKF-WMLDXEAASA-N -1 3 399.516 3.665 20 0 GHADHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H]1CCC(C)(C)C1 ZINC000526040533 871954691 /nfs/dbraw/zinc/95/46/91/871954691.db2.gz JTWPRYPCAIIJMZ-LBPRGKRZSA-N -1 3 377.282 3.941 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(Cl)nccc2C(C)=O)c(C)c1C ZINC001194836809 871982705 /nfs/dbraw/zinc/98/27/05/871982705.db2.gz FYQOPPWGIGFOOJ-UHFFFAOYSA-N -1 3 382.869 3.672 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)nc1 ZINC000775619921 872019927 /nfs/dbraw/zinc/01/99/27/872019927.db2.gz KCORGTWWOLMUHG-UHFFFAOYSA-N -1 3 392.341 3.641 20 0 GHADHM Cc1ccccc1CC(C)(C)CNC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001194995636 872094561 /nfs/dbraw/zinc/09/45/61/872094561.db2.gz DPZNNVIBYZUDMG-UHFFFAOYSA-N -1 3 392.496 3.504 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3sccc3C3CC3)c2)[n-]1 ZINC000447669675 872113904 /nfs/dbraw/zinc/11/39/04/872113904.db2.gz KFZZPNCPZHEODO-UHFFFAOYSA-N -1 3 396.472 3.517 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3sccc3C3CC3)c2)n[n-]1 ZINC000447669675 872113912 /nfs/dbraw/zinc/11/39/12/872113912.db2.gz KFZZPNCPZHEODO-UHFFFAOYSA-N -1 3 396.472 3.517 20 0 GHADHM COC(=O)c1cccc2nc([N-]C(=O)c3ncc(Br)s3)sc21 ZINC001195054462 872131484 /nfs/dbraw/zinc/13/14/84/872131484.db2.gz NVTDOVJEMHLEFJ-UHFFFAOYSA-N -1 3 398.263 3.554 20 0 GHADHM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cccc(Br)c1Cl ZINC000182376109 872273306 /nfs/dbraw/zinc/27/33/06/872273306.db2.gz LQDFMOLNOADKOB-UHFFFAOYSA-N -1 3 388.048 3.831 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(F)c(C)c1 ZINC000767249297 872359768 /nfs/dbraw/zinc/35/97/68/872359768.db2.gz LWWUIHSKHDWDTI-OAGJVSPASA-N -1 3 397.855 3.592 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000552274426 872370704 /nfs/dbraw/zinc/37/07/04/872370704.db2.gz UBESJQLTZXMJQA-DTWKUNHWSA-N -1 3 375.053 3.643 20 0 GHADHM CCS[C@H](C)c1noc(COC(=O)c2cccc(Br)c2[O-])n1 ZINC000767335519 872408185 /nfs/dbraw/zinc/40/81/85/872408185.db2.gz SNZKZNFTQXWAJP-MRVPVSSYSA-N -1 3 387.255 3.709 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1Cl ZINC000463789423 872561915 /nfs/dbraw/zinc/56/19/15/872561915.db2.gz PWPFGDRJDUDXBN-UHFFFAOYSA-N -1 3 385.869 3.945 20 0 GHADHM O=C(NC[C@@H](NCc1ccccc1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000552401820 872619637 /nfs/dbraw/zinc/61/96/37/872619637.db2.gz CDUWUQFCUBZTTN-LJQANCHMSA-N -1 3 388.389 3.996 20 0 GHADHM O=S(=O)(Nc1c(Cl)cc(Br)nc1Cl)c1ccc([O-])cc1 ZINC001195763257 872622440 /nfs/dbraw/zinc/62/24/40/872622440.db2.gz OIVIRZOYWPRZDI-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)[n-]1 ZINC000619446278 872633500 /nfs/dbraw/zinc/63/35/00/872633500.db2.gz CKZBJSUFLOELGO-OAHLLOKOSA-N -1 3 393.443 3.583 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)c[n-]1 ZINC000619446278 872633509 /nfs/dbraw/zinc/63/35/09/872633509.db2.gz CKZBJSUFLOELGO-OAHLLOKOSA-N -1 3 393.443 3.583 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccc(-c3ccccc3OCC)c2)[n-]1 ZINC000619447321 872634943 /nfs/dbraw/zinc/63/49/43/872634943.db2.gz UWZOVJCVFVGERN-UHFFFAOYSA-N -1 3 379.416 3.904 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccc(-c3ccccc3OCC)c2)c[n-]1 ZINC000619447321 872634957 /nfs/dbraw/zinc/63/49/57/872634957.db2.gz UWZOVJCVFVGERN-UHFFFAOYSA-N -1 3 379.416 3.904 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001195783437 872659406 /nfs/dbraw/zinc/65/94/06/872659406.db2.gz PCLRHHLGJWKSIS-UHFFFAOYSA-N -1 3 385.407 3.979 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc2n[n-]nc21 ZINC000527105856 872665887 /nfs/dbraw/zinc/66/58/87/872665887.db2.gz LMYAVPMBWUIQLX-NRFANRHFSA-N -1 3 384.439 3.802 20 0 GHADHM COc1cc(NS(=O)(=O)c2ccc([O-])cc2)c(Br)cc1Cl ZINC001195803014 872673214 /nfs/dbraw/zinc/67/32/14/872673214.db2.gz RZXNZCKGSCQLAI-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM COC(=O)c1cccc(NC(=S)Nc2c([O-])cccc2Br)c1 ZINC001195847040 872684041 /nfs/dbraw/zinc/68/40/41/872684041.db2.gz PTNSSFHFCPCJRF-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM O=S(=O)(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc([O-])cc1 ZINC001195825600 872697258 /nfs/dbraw/zinc/69/72/58/872697258.db2.gz VDUFNRWYYMQXTO-ZDUSSCGKSA-N -1 3 399.312 3.993 20 0 GHADHM C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccccc1NC(=O)OC(C)(C)C ZINC001195824848 872697439 /nfs/dbraw/zinc/69/74/39/872697439.db2.gz ACBJUVMEXFEXKR-ZDUSSCGKSA-N -1 3 392.477 3.779 20 0 GHADHM COc1cccc(C[C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C2CC2)c1 ZINC000182730192 872710856 /nfs/dbraw/zinc/71/08/56/872710856.db2.gz ZONGRRJIWRCVNU-GOSISDBHSA-N -1 3 390.505 3.509 20 0 GHADHM CCc1cc2c(CN3[C@H](C)CC[C@@H]3C(=O)OC(C)(C)C)cc(=O)oc2cc1[O-] ZINC001195876443 872731203 /nfs/dbraw/zinc/73/12/03/872731203.db2.gz JMJSVGVXTKPRJX-CXAGYDPISA-N -1 3 387.476 3.756 20 0 GHADHM CS(=O)(=O)CC1(COC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000767650078 872734556 /nfs/dbraw/zinc/73/45/56/872734556.db2.gz ZKBNAPRGPHYMBI-UHFFFAOYSA-N -1 3 394.876 3.694 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(OC)c1 ZINC000527160715 872746268 /nfs/dbraw/zinc/74/62/68/872746268.db2.gz PYRSZLUDSNVHAL-HXUWFJFHSA-N -1 3 393.439 3.978 20 0 GHADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)no1 ZINC000527208807 872810494 /nfs/dbraw/zinc/81/04/94/872810494.db2.gz ZKUACTAYQJTIKL-INIZCTEOSA-N -1 3 395.463 3.574 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)CCC2CCCCC2)CC[C@H](C)c2ccccc21 ZINC001196052070 872858483 /nfs/dbraw/zinc/85/84/83/872858483.db2.gz JLBWNRVREMVRJJ-KKSFZXQISA-N -1 3 393.549 3.842 20 0 GHADHM COc1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000527287223 872955722 /nfs/dbraw/zinc/95/57/22/872955722.db2.gz LELMCYXTKIAKBA-UHFFFAOYSA-N -1 3 383.366 3.780 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000640303311 882677741 /nfs/dbraw/zinc/67/77/41/882677741.db2.gz TYCGCQDJGQMTCB-CYBMUJFWSA-N -1 3 399.804 3.675 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1F)c1ccc(Cl)cn1 ZINC001196272928 873009617 /nfs/dbraw/zinc/00/96/17/873009617.db2.gz LDXRZFDECMUBME-KRWDZBQOSA-N -1 3 398.887 3.710 20 0 GHADHM CCCCc1nc(NC(=O)c2nc(C(C)C)ncc2Cl)c(C(=O)OCC)[n-]1 ZINC000191963977 882685946 /nfs/dbraw/zinc/68/59/46/882685946.db2.gz STTFWYZYDBEISM-UHFFFAOYSA-N -1 3 393.875 3.748 20 0 GHADHM O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cccc2n[n-]nc21 ZINC000527355729 873073628 /nfs/dbraw/zinc/07/36/28/873073628.db2.gz SYGRKICVHMEFLY-ZDUSSCGKSA-N -1 3 375.457 3.939 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccn3)CCC(F)(F)CC2)c(F)c1 ZINC001196406963 873095756 /nfs/dbraw/zinc/09/57/56/873095756.db2.gz HXEIWDJVJLFGSM-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196422612 873106383 /nfs/dbraw/zinc/10/63/83/873106383.db2.gz YLKKNWFRXQHBQY-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196422612 873106394 /nfs/dbraw/zinc/10/63/94/873106394.db2.gz YLKKNWFRXQHBQY-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1cc(Cl)ccc1Cl ZINC000541211881 873142938 /nfs/dbraw/zinc/14/29/38/873142938.db2.gz JNHKKEHJMSUMNG-UHFFFAOYSA-N -1 3 382.272 3.862 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)Nc1cccc([O-])c1Cl ZINC001196551462 873205788 /nfs/dbraw/zinc/20/57/88/873205788.db2.gz MQRUUSZYFAKGQB-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=C(Nc1cccc(COCC2CC2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000115944023 873225055 /nfs/dbraw/zinc/22/50/55/873225055.db2.gz BVGRQRGADYARMU-HXUWFJFHSA-N -1 3 394.471 3.562 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2nccc(-c3ccc(OC(F)(F)F)cc3)n2)n1 ZINC001196652759 873287657 /nfs/dbraw/zinc/28/76/57/873287657.db2.gz MGPIJRUJXKTHNJ-UHFFFAOYSA-N -1 3 390.321 3.704 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]CCCc2ccc(C(F)(F)F)cc2)c1 ZINC001196784665 873357841 /nfs/dbraw/zinc/35/78/41/873357841.db2.gz LFNCTFMVFGFWGN-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)c(Cl)c2)c1 ZINC001196781075 873386808 /nfs/dbraw/zinc/38/68/08/873386808.db2.gz ZHLMHEWDJYVMKO-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1cc(F)c(F)c(F)c1 ZINC000464199464 873424435 /nfs/dbraw/zinc/42/44/35/873424435.db2.gz LBLIRPWYVWKZHI-UHFFFAOYSA-N -1 3 378.375 3.644 20 0 GHADHM COC(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196884884 873427078 /nfs/dbraw/zinc/42/70/78/873427078.db2.gz AFWMMMPNNNWSKR-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccnc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001196915955 873449534 /nfs/dbraw/zinc/44/95/34/873449534.db2.gz JTEDPWQPYNLWCB-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)[N-]c1noc2cccnc12 ZINC001197026356 873550309 /nfs/dbraw/zinc/55/03/09/873550309.db2.gz RZHBNYCGHFNJER-UHFFFAOYSA-N -1 3 389.799 3.871 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000448549998 873590222 /nfs/dbraw/zinc/59/02/22/873590222.db2.gz MYMFPGVZELXRJN-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM O=C([O-])c1ccc(NC(=S)NCCN2CCC(Cc3ccccc3)CC2)cc1 ZINC001197122398 873612709 /nfs/dbraw/zinc/61/27/09/873612709.db2.gz YBNKXVBODHKVGC-UHFFFAOYSA-N -1 3 397.544 3.626 20 0 GHADHM Cc1ncc(CNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c(=O)[n-]1 ZINC000541458022 873643156 /nfs/dbraw/zinc/64/31/56/873643156.db2.gz WHYMEDCRLMFNLK-UHFFFAOYSA-N -1 3 391.399 3.751 20 0 GHADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134141379 882754680 /nfs/dbraw/zinc/75/46/80/882754680.db2.gz KNAJBOURTKYOGT-UHFFFAOYSA-N -1 3 379.313 3.917 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cccc(F)n1 ZINC000804383783 882763780 /nfs/dbraw/zinc/76/37/80/882763780.db2.gz JSLIAOKYDXYHAJ-UHFFFAOYSA-N -1 3 384.314 3.890 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000541572905 873887029 /nfs/dbraw/zinc/88/70/29/873887029.db2.gz OFXBSOVXVIQOQC-ZBEGNZNMSA-N -1 3 375.266 3.695 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000804390007 882770292 /nfs/dbraw/zinc/77/02/92/882770292.db2.gz SUYYRBVGUJIGOK-UHFFFAOYSA-N -1 3 388.782 3.668 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cnc(Cl)c(C(F)(F)F)c1 ZINC001197567210 873905598 /nfs/dbraw/zinc/90/55/98/873905598.db2.gz SUMGIGCONKJCAX-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CC(C)OC(=O)C[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000464492086 873959335 /nfs/dbraw/zinc/95/93/35/873959335.db2.gz HCNRWDOOGMAXTI-CQSZACIVSA-N -1 3 383.448 3.635 20 0 GHADHM CCOC(=O)c1cc[nH]c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197699955 873988507 /nfs/dbraw/zinc/98/85/07/873988507.db2.gz IGKDXDBSUWBUFM-UHFFFAOYSA-N -1 3 380.400 3.728 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(Oc2cccnc2)ccn1 ZINC001197732656 874014369 /nfs/dbraw/zinc/01/43/69/874014369.db2.gz BCRBHNAWJXAAOB-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM CN1CCc2cc([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)ccc2C1=O ZINC001197754719 874029712 /nfs/dbraw/zinc/02/97/12/874029712.db2.gz RIKYKOIMPFXVOW-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM COc1ccc(Cn2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)cc1 ZINC000134218650 882788977 /nfs/dbraw/zinc/78/89/77/882788977.db2.gz IOORACGEWSQGJP-UHFFFAOYSA-N -1 3 391.349 3.917 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134221461 882791220 /nfs/dbraw/zinc/79/12/20/882791220.db2.gz HJRWPZSVWNYQKD-UHFFFAOYSA-N -1 3 382.367 3.829 20 0 GHADHM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1 ZINC000769857828 874306831 /nfs/dbraw/zinc/30/68/31/874306831.db2.gz YWNNCCPAQXKEBR-UHFFFAOYSA-N -1 3 397.294 3.874 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cn(-c2ccccc2Br)cn1 ZINC001198320572 874351569 /nfs/dbraw/zinc/35/15/69/874351569.db2.gz GERIRYMDTQVFIS-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2Br)n1C ZINC001198398044 874409124 /nfs/dbraw/zinc/40/91/24/874409124.db2.gz AKTKCQCHJOYJMQ-UHFFFAOYSA-N -1 3 399.097 3.599 20 0 GHADHM O=C(CN1CCSC1=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770081759 874443411 /nfs/dbraw/zinc/44/34/11/874443411.db2.gz XRRPHQNXPQAQAO-UHFFFAOYSA-N -1 3 385.470 3.776 20 0 GHADHM CC(C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)Nc1nccs1 ZINC000770266742 874556031 /nfs/dbraw/zinc/55/60/31/874556031.db2.gz BCOHMLAZTZFHNH-ZDUSSCGKSA-N -1 3 385.411 3.544 20 0 GHADHM O=C([N-]c1nc(F)cc(C(F)(F)F)c1F)c1cc(OCC2CCC2)ncn1 ZINC001198803860 874641908 /nfs/dbraw/zinc/64/19/08/874641908.db2.gz PMFQUJIWZAQIRC-UHFFFAOYSA-N -1 3 388.296 3.600 20 0 GHADHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)n1[C@@H](C)c1ccccc1 ZINC000775913564 874652922 /nfs/dbraw/zinc/65/29/22/874652922.db2.gz HHGQSVNTXMBLGB-LBPRGKRZSA-N -1 3 391.397 3.781 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1ccc(Br)s1 ZINC000061371863 882853792 /nfs/dbraw/zinc/85/37/92/882853792.db2.gz UCPLNRJBFFMLKV-SECBINFHSA-N -1 3 378.338 3.928 20 0 GHADHM CCc1cc2c(CN3CCc4nc(C(C)(C)C)ncc4C3)cc(=O)oc2cc1[O-] ZINC000528595270 874759017 /nfs/dbraw/zinc/75/90/17/874759017.db2.gz OZLMTNLYHPQFAC-UHFFFAOYSA-N -1 3 393.487 3.707 20 0 GHADHM CCOC(=O)C1(C(=O)c2ccccc2)CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000449412000 874837988 /nfs/dbraw/zinc/83/79/88/874837988.db2.gz LMGOIMYWQFZGBH-UHFFFAOYSA-N -1 3 385.435 3.560 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCc3ccsc3)[n-]c(=O)c21 ZINC000542104348 874964478 /nfs/dbraw/zinc/96/44/78/874964478.db2.gz RWYRUVNGYFCDBV-UHFFFAOYSA-N -1 3 375.475 3.612 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000610058174 874978531 /nfs/dbraw/zinc/97/85/31/874978531.db2.gz OTSZOPFLSRSKNC-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(-c3cccs3)o2)c1 ZINC000542150342 875042503 /nfs/dbraw/zinc/04/25/03/875042503.db2.gz FTNKAYYZAFNUCM-UHFFFAOYSA-N -1 3 394.449 3.650 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](c2ccsc2)O1 ZINC000528824150 875129791 /nfs/dbraw/zinc/12/97/91/875129791.db2.gz FDGVTTJJSFVRDP-BMIGLBTASA-N -1 3 382.279 3.818 20 0 GHADHM [O-]c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1Br ZINC001199700228 875156031 /nfs/dbraw/zinc/15/60/31/875156031.db2.gz YBMQYIMIHBITJZ-UHFFFAOYSA-N -1 3 381.251 3.735 20 0 GHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000542244061 875236530 /nfs/dbraw/zinc/23/65/30/875236530.db2.gz UTJZQYCQSTVDFY-CQSZACIVSA-N -1 3 397.880 3.914 20 0 GHADHM O=C1[N-]C(=O)/C(=C/c2ccc3ccc(Br)cc3n2)c2ccccc21 ZINC000771518124 875308989 /nfs/dbraw/zinc/30/89/89/875308989.db2.gz NPMRVBQRFMOSEA-MHWRWJLKSA-N -1 3 379.213 3.808 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542315071 875354782 /nfs/dbraw/zinc/35/47/82/875354782.db2.gz CIXWEEOHNMXFLC-VHSXEESVSA-N -1 3 382.320 3.541 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000776116128 875361960 /nfs/dbraw/zinc/36/19/60/875361960.db2.gz DSZWKMYIZLPPGY-HNNXBMFYSA-N -1 3 381.402 3.944 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1Cl ZINC000449803893 875440566 /nfs/dbraw/zinc/44/05/66/875440566.db2.gz 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C[C@@H](O)[C@@](C)(CNC(=O)c1cc([O-])cc(Br)c1)Cc1ccccc1 ZINC000529159712 875716409 /nfs/dbraw/zinc/71/64/09/875716409.db2.gz QYQLAEHMJPHKSH-BFUOFWGJSA-N -1 3 392.293 3.514 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000005639778 875742808 /nfs/dbraw/zinc/74/28/08/875742808.db2.gz NFKPAHXPFJEMLD-ZRQQLDRUSA-N -1 3 398.440 3.648 20 0 GHADHM COc1ccc([C@@H](NCC(=O)[N-]OCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000772202641 875802903 /nfs/dbraw/zinc/80/29/03/875802903.db2.gz UYJMFCOXLCWVMS-QHCPKHFHSA-N -1 3 394.446 3.761 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CC1)c1ncccc1OCc1ccccc1 ZINC001201897796 875912978 /nfs/dbraw/zinc/91/29/78/875912978.db2.gz FDLANHUMZMKVLZ-UHFFFAOYSA-N -1 3 380.469 3.628 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1ncccc1OCc1ccccc1 ZINC001201898963 875914489 /nfs/dbraw/zinc/91/44/89/875914489.db2.gz AZVLHIUOVPSAKP-LJQANCHMSA-N -1 3 398.459 3.766 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000776255128 876062600 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GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000786029537 876389983 /nfs/dbraw/zinc/38/99/83/876389983.db2.gz FITCAMNPJONXBY-UHFFFAOYSA-N -1 3 387.701 3.624 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2ccncc2)cc1 ZINC000173555074 876468007 /nfs/dbraw/zinc/46/80/07/876468007.db2.gz UVVWAEUMYARMBU-ZDUSSCGKSA-N -1 3 386.411 3.515 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786139442 876468043 /nfs/dbraw/zinc/46/80/43/876468043.db2.gz HJBGYNPAEMIHTO-GFCCVEGCSA-N -1 3 385.441 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3ccccc3)c2)n1 ZINC000173565022 876476362 /nfs/dbraw/zinc/47/63/62/876476362.db2.gz KKEVMCPCFWDBTJ-UHFFFAOYSA-N -1 3 385.427 3.642 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000786130695 876496860 /nfs/dbraw/zinc/49/68/60/876496860.db2.gz FKHUPHCTTPJWIH-LLVKDONJSA-N -1 3 387.379 3.565 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000786878963 877003284 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COc1ccc(CN(CC2CCC2)C(=O)Cc2ccc([O-])c(F)c2)c(OC)c1 ZINC000451500878 878051325 /nfs/dbraw/zinc/05/13/25/878051325.db2.gz GOFURFHXSXKDNW-UHFFFAOYSA-N -1 3 387.451 3.920 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(C)c4ccccc4[nH]c3=O)cc2)n1 ZINC000176189932 878137349 /nfs/dbraw/zinc/13/73/49/878137349.db2.gz IMEFPAUDAPRUEH-UHFFFAOYSA-N -1 3 386.411 3.560 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000176287836 878188140 /nfs/dbraw/zinc/18/81/40/878188140.db2.gz DGMTXSXJIJVIAO-UHFFFAOYSA-N -1 3 395.484 3.940 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3ccc(F)cc3)n2)c(F)c1F ZINC000537753955 878245351 /nfs/dbraw/zinc/24/53/51/878245351.db2.gz XPSYVPPQKYNKHP-UHFFFAOYSA-N -1 3 377.297 3.884 20 0 GHADHM COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccccc2[O-])c1 ZINC000179987230 878305199 /nfs/dbraw/zinc/30/51/99/878305199.db2.gz JWECDKDSVVOFTH-QFIPXVFZSA-N -1 3 377.440 3.777 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C(F)(F)F)c2)sc1Cl ZINC000788899218 878433695 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O=C(Nc1ccc(F)cc1)[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000790074216 879416560 /nfs/dbraw/zinc/41/65/60/879416560.db2.gz OCUCUAOKTALPST-LJQANCHMSA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccc(F)cc1)[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000790074216 879416567 /nfs/dbraw/zinc/41/65/67/879416567.db2.gz OCUCUAOKTALPST-LJQANCHMSA-N -1 3 390.374 3.634 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2C)cc(OC)c1[O-] ZINC000494096029 879884953 /nfs/dbraw/zinc/88/49/53/879884953.db2.gz DGQIXLBHXLHJJY-AEFFLSMTSA-N -1 3 385.460 3.838 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2csc(C3CCCC3)n2)cc1OC ZINC000112336442 879895287 /nfs/dbraw/zinc/89/52/87/879895287.db2.gz KLYQCMILTAEZPU-UHFFFAOYSA-N -1 3 376.478 3.608 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)c(C(F)(F)F)c3)nc21 ZINC000494110288 879938255 /nfs/dbraw/zinc/93/82/55/879938255.db2.gz CHSVYIIAXPJDMX-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000112595592 880024951 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GHADHM COC(=O)c1sc2[n-]c(CN(C)c3ccc(C)c(Cl)c3)nc(=O)c2c1C ZINC000113256324 880466713 /nfs/dbraw/zinc/46/67/13/880466713.db2.gz DEDOUMXGRQZNID-UHFFFAOYSA-N -1 3 391.880 3.678 20 0 GHADHM O=C(NCc1cnn(CC(F)(F)F)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000531928939 880779478 /nfs/dbraw/zinc/77/94/78/880779478.db2.gz HRCFNKFSJKDKHW-UHFFFAOYSA-N -1 3 391.349 3.873 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000531975900 880852639 /nfs/dbraw/zinc/85/26/39/880852639.db2.gz NQFBNLNEIAQUPX-HOCLYGCPSA-N -1 3 375.266 3.585 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1c1ccccn1 ZINC000532006627 880877127 /nfs/dbraw/zinc/87/71/27/880877127.db2.gz QQFLTCVIPHJJCE-OAHLLOKOSA-N -1 3 376.254 3.596 20 0 GHADHM COCCOC(=O)Nc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792082432 880914702 /nfs/dbraw/zinc/91/47/02/880914702.db2.gz DCQMJWVGBRMEKL-UHFFFAOYSA-N -1 3 380.400 3.993 20 0 GHADHM COc1cc(-c2nc(-c3cc(Cl)c4c(c3)OCCO4)no2)cc(OC)c1[O-] ZINC000776874223 880938406 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GHADHM CCCOc1nc(C)ccc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000188854777 881314093 /nfs/dbraw/zinc/31/40/93/881314093.db2.gz MGIGPYTUNRWWFO-UHFFFAOYSA-N -1 3 392.459 3.744 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccncc1F ZINC001129745972 883172306 /nfs/dbraw/zinc/17/23/06/883172306.db2.gz JLPCDZBAKSBEDB-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000153171960 883193929 /nfs/dbraw/zinc/19/39/29/883193929.db2.gz CLAOJCWLCIKWER-DLBZAZTESA-N -1 3 398.425 3.682 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC(C4CCCCC4)CC3)c(=O)c2c(OC)c1 ZINC000858565705 883203458 /nfs/dbraw/zinc/20/34/58/883203458.db2.gz XQEJEIPUQGBTCB-UHFFFAOYSA-N -1 3 398.503 3.978 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(SC(F)(F)F)cc1 ZINC001324647627 883350625 /nfs/dbraw/zinc/35/06/25/883350625.db2.gz ADVHTTWKMKTDJI-UHFFFAOYSA-N -1 3 383.335 3.619 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cccc(Br)c1Cl ZINC000551209338 883489120 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CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000859382485 883786954 /nfs/dbraw/zinc/78/69/54/883786954.db2.gz JFIZRPIUNNPPEK-UHFFFAOYSA-N -1 3 390.443 3.555 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(NC(C)=O)ccc3C)c2)n1 ZINC000188385993 883839556 /nfs/dbraw/zinc/83/95/56/883839556.db2.gz RYTHUZSOBPTFPS-UHFFFAOYSA-N -1 3 390.443 3.518 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000914502779 883847846 /nfs/dbraw/zinc/84/78/46/883847846.db2.gz QWDVCQWTCRUAKC-UHFFFAOYSA-N -1 3 381.398 3.799 20 0 GHADHM CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CCCCC1 ZINC000475795824 883911227 /nfs/dbraw/zinc/91/12/27/883911227.db2.gz KFIGJQPZRPRPBN-UHFFFAOYSA-N -1 3 383.901 3.780 20 0 GHADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000859807774 884081491 /nfs/dbraw/zinc/08/14/91/884081491.db2.gz MCOAEECBGICFBB-IBGZPJMESA-N -1 3 381.520 3.916 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000024882861 884085016 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GHADHM COc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(Br)c1 ZINC000475819926 884237368 /nfs/dbraw/zinc/23/73/68/884237368.db2.gz WRTOXWYUARLGHA-UHFFFAOYSA-N -1 3 382.688 3.973 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000102748263 884399376 /nfs/dbraw/zinc/39/93/76/884399376.db2.gz VSJGIQHJFYZUII-UHFFFAOYSA-N -1 3 390.358 3.994 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000007456203 884511888 /nfs/dbraw/zinc/51/18/88/884511888.db2.gz FCAZSMQDIDBTTJ-UHFFFAOYSA-N -1 3 377.805 3.570 20 0 GHADHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cccnc1 ZINC000025393174 884513119 /nfs/dbraw/zinc/51/31/19/884513119.db2.gz HRMGVTZUSGYYOM-CQSZACIVSA-N -1 3 399.447 3.513 20 0 GHADHM CN(c1ccccc1)C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528130041 884549593 /nfs/dbraw/zinc/54/95/93/884549593.db2.gz INYZRRBOCOWJRX-UHFFFAOYSA-N -1 3 389.293 3.896 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1F ZINC000914713857 884589760 /nfs/dbraw/zinc/58/97/60/884589760.db2.gz VGUDEDVSJGFMFK-GFCCVEGCSA-N -1 3 398.887 3.657 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)ccc1N1CCCC1 ZINC000761832526 884708766 /nfs/dbraw/zinc/70/87/66/884708766.db2.gz PGXUJQTXORRDDO-UHFFFAOYSA-N -1 3 385.533 3.778 20 0 GHADHM O=c1[nH]c(Cc2n[n-]c(-c3ccccc3)n2)nc2ccc(-c3ccccc3)cc21 ZINC000105507408 884795506 /nfs/dbraw/zinc/79/55/06/884795506.db2.gz UNUHSAVKESYUJE-UHFFFAOYSA-N -1 3 379.423 3.966 20 0 GHADHM CC(C)Oc1cccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000919046193 884800793 /nfs/dbraw/zinc/80/07/93/884800793.db2.gz GEZYBKMMEADCBN-UHFFFAOYSA-N -1 3 385.247 3.582 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000130576484 884808313 /nfs/dbraw/zinc/80/83/13/884808313.db2.gz OOIRHVOBCZWHPO-UHFFFAOYSA-N -1 3 393.624 3.902 20 0 GHADHM O=C(Nc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1)C(F)(F)F ZINC000806562660 884816252 /nfs/dbraw/zinc/81/62/52/884816252.db2.gz KMJYIFYXRQENHW-PLNGDYQASA-N -1 3 386.333 3.503 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n1 ZINC000761859324 884867854 /nfs/dbraw/zinc/86/78/54/884867854.db2.gz FEOHAGXYMOPOOR-UHFFFAOYSA-N -1 3 378.461 3.858 20 0 GHADHM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000117739079 885007992 /nfs/dbraw/zinc/00/79/92/885007992.db2.gz RAUNVQWXDMQLGB-XMMPIXPASA-N -1 3 379.503 3.546 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(OCC(C)C)cc3)cc2)n1 ZINC000106633494 885114377 /nfs/dbraw/zinc/11/43/77/885114377.db2.gz KNTFPJDLVZMDFY-UHFFFAOYSA-N -1 3 391.471 3.961 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1cnc(N2CCCCC2)s1 ZINC000914890914 885115528 /nfs/dbraw/zinc/11/55/28/885115528.db2.gz KBHYUOBWPLAUNX-UHFFFAOYSA-N -1 3 375.475 3.716 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000053233389 885121871 /nfs/dbraw/zinc/12/18/71/885121871.db2.gz BTQCQMBJTIVRBZ-GOSISDBHSA-N -1 3 378.428 3.523 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000861183738 885305628 /nfs/dbraw/zinc/30/56/28/885305628.db2.gz QEYDYFOQJXKHAY-USXIJHARSA-N -1 3 376.225 3.722 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3Cl)n[n-]2)o1 ZINC000919324872 885333579 /nfs/dbraw/zinc/33/35/79/885333579.db2.gz IOUPYDJKVIWNAD-LBPRGKRZSA-N -1 3 387.823 3.666 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3Cl)[n-]n2)o1 ZINC000919324872 885333599 /nfs/dbraw/zinc/33/35/99/885333599.db2.gz IOUPYDJKVIWNAD-LBPRGKRZSA-N -1 3 387.823 3.666 20 0 GHADHM CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)Nc1ccc(OC)cc1 ZINC000919329037 885346362 /nfs/dbraw/zinc/34/63/62/885346362.db2.gz KXMPQETYZBHXQQ-QGZVFWFLSA-N -1 3 383.404 3.561 20 0 GHADHM CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(=O)Nc1ccc(OC)cc1 ZINC000919329037 885346377 /nfs/dbraw/zinc/34/63/77/885346377.db2.gz KXMPQETYZBHXQQ-QGZVFWFLSA-N -1 3 383.404 3.561 20 0 GHADHM CCCC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)Nc1cc(C)on1 ZINC000919329763 885349625 /nfs/dbraw/zinc/34/96/25/885349625.db2.gz UGWPPLIYODIXJI-MRXNPFEDSA-N -1 3 386.408 3.629 20 0 GHADHM CCCC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(=O)Nc1cc(C)on1 ZINC000919329763 885349646 /nfs/dbraw/zinc/34/96/46/885349646.db2.gz UGWPPLIYODIXJI-MRXNPFEDSA-N -1 3 386.408 3.629 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000130938131 885361324 /nfs/dbraw/zinc/36/13/24/885361324.db2.gz HUYDULPCHDCDQP-UHFFFAOYSA-N -1 3 376.416 3.533 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccc(Cl)cc3)n[n-]2)o1 ZINC000919323736 885378384 /nfs/dbraw/zinc/37/83/84/885378384.db2.gz AENFWOSKJBLCND-GFCCVEGCSA-N -1 3 387.823 3.666 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccc(Cl)cc3)[n-]n2)o1 ZINC000919323736 885378402 /nfs/dbraw/zinc/37/84/02/885378402.db2.gz AENFWOSKJBLCND-GFCCVEGCSA-N -1 3 387.823 3.666 20 0 GHADHM CCOC(=O)Cc1csc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000072067426 885505536 /nfs/dbraw/zinc/50/55/36/885505536.db2.gz MZEUGQUGNBNIAU-UHFFFAOYSA-N -1 3 396.468 3.797 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)no1 ZINC000108251171 885618785 /nfs/dbraw/zinc/61/87/85/885618785.db2.gz WJLNSAQUHGIGTE-UHFFFAOYSA-N -1 3 393.852 3.720 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2c([O-])cccc2Cl)N(C)C)cc1 ZINC000807828950 885797278 /nfs/dbraw/zinc/79/72/78/885797278.db2.gz SURUPFDMYSXHGV-KRWDZBQOSA-N -1 3 376.884 3.866 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000807868105 885830064 /nfs/dbraw/zinc/83/00/64/885830064.db2.gz YXBNHAAGYORHJN-UHFFFAOYSA-N -1 3 390.418 3.976 20 0 GHADHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000108829099 885909217 /nfs/dbraw/zinc/90/92/17/885909217.db2.gz HRMWXYDAPNVOLD-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCC3CCCCC3)cc2)c(=O)[n-]1 ZINC000131362903 885976237 /nfs/dbraw/zinc/97/62/37/885976237.db2.gz UOZBYHCRWMLDPO-UHFFFAOYSA-N -1 3 383.492 3.917 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000055138915 886009688 /nfs/dbraw/zinc/00/96/88/886009688.db2.gz SFBMLDRTXPJNKG-HNNXBMFYSA-N -1 3 376.865 3.971 20 0 GHADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118882274 886311913 /nfs/dbraw/zinc/31/19/13/886311913.db2.gz GALXMKVVJFNGSU-UHFFFAOYSA-N -1 3 391.443 3.599 20 0 GHADHM Cc1cnc([C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C2CC2)s1 ZINC000119272144 886508725 /nfs/dbraw/zinc/50/87/25/886508725.db2.gz VOPPLSAURRGILI-AWEZNQCLSA-N -1 3 396.310 3.870 20 0 GHADHM COC(=O)c1cscc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000808640734 886626385 /nfs/dbraw/zinc/62/63/85/886626385.db2.gz BAXGNVXJLYSQLG-QMMMGPOBSA-N -1 3 392.458 3.780 20 0 GHADHM COc1cccc2c(C(=O)OCCCC(=O)Nc3c(C)cccc3C)n[n-]c21 ZINC000808672972 886670449 /nfs/dbraw/zinc/67/04/49/886670449.db2.gz ISQCLNPEMKFNRT-UHFFFAOYSA-N -1 3 381.432 3.764 20 0 GHADHM COc1cccc2c(C(=O)OCCCC(=O)Nc3c(C)cccc3C)[n-]nc21 ZINC000808672972 886670452 /nfs/dbraw/zinc/67/04/52/886670452.db2.gz ISQCLNPEMKFNRT-UHFFFAOYSA-N -1 3 381.432 3.764 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3F)n[n-]c21 ZINC000808675178 886672336 /nfs/dbraw/zinc/67/23/36/886672336.db2.gz YPBKXHKDOPBXGP-VIFPVBQESA-N -1 3 391.786 3.548 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000808675178 886672345 /nfs/dbraw/zinc/67/23/45/886672345.db2.gz YPBKXHKDOPBXGP-VIFPVBQESA-N -1 3 391.786 3.548 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC000614827052 886923319 /nfs/dbraw/zinc/92/33/19/886923319.db2.gz PJEMTOGCLMXNEV-QWHCGFSZSA-N -1 3 398.488 3.545 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053310983 886986202 /nfs/dbraw/zinc/98/62/02/886986202.db2.gz ONVICSZEYBYTBS-GOSISDBHSA-N -1 3 394.496 3.870 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)c(C)c1 ZINC000863428356 887099814 /nfs/dbraw/zinc/09/98/14/887099814.db2.gz ZYWJPRGPYGGKSP-CYBMUJFWSA-N -1 3 388.489 3.665 20 0 GHADHM CC1(C)CC[C@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707620 887441317 /nfs/dbraw/zinc/44/13/17/887441317.db2.gz OBHYIQZJLGOLRL-NSHDSACASA-N -1 3 381.885 3.661 20 0 GHADHM CC1(C)CC[C@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707620 887441325 /nfs/dbraw/zinc/44/13/25/887441325.db2.gz OBHYIQZJLGOLRL-NSHDSACASA-N -1 3 381.885 3.661 20 0 GHADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(Cn2cccn2)o1 ZINC000915808535 887468762 /nfs/dbraw/zinc/46/87/62/887468762.db2.gz YITPIYOANCYNGW-UHFFFAOYSA-N -1 3 397.485 3.921 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001211940392 887497334 /nfs/dbraw/zinc/49/73/34/887497334.db2.gz MDRUOBIAFJJDER-ZJUUUORDSA-N -1 3 397.324 3.573 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4ncsc4c3)c2)n1 ZINC000049302958 887554083 /nfs/dbraw/zinc/55/40/83/887554083.db2.gz LDGHTCOTMNSLLS-UHFFFAOYSA-N -1 3 376.441 3.861 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000644279313 913160061 /nfs/dbraw/zinc/16/00/61/913160061.db2.gz NBOXZNHWNYJTSF-BXUZGUMPSA-N -1 3 385.835 3.588 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1F ZINC000794608535 887676065 /nfs/dbraw/zinc/67/60/65/887676065.db2.gz JXVZLJVBIBKTCA-VOTSOKGWSA-N -1 3 387.791 3.817 20 0 GHADHM Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000809769881 887758509 /nfs/dbraw/zinc/75/85/09/887758509.db2.gz VFZFOPQXNPWSMG-PJODQICGSA-N -1 3 388.478 3.532 20 0 GHADHM O=C([O-])[C@H](CNCc1cccnc1Br)Cc1cccc(Cl)c1 ZINC000864504388 887808566 /nfs/dbraw/zinc/80/85/66/887808566.db2.gz GFXAWYKUKXMDQU-ZDUSSCGKSA-N -1 3 383.673 3.531 20 0 GHADHM Cc1ccnc(CN[C@H](C(=O)[O-])C(C2CCC2)C2CCC2)c1Br ZINC000864513847 887818457 /nfs/dbraw/zinc/81/84/57/887818457.db2.gz JYIXZSOGKKFXLS-KRWDZBQOSA-N -1 3 381.314 3.912 20 0 GHADHM Cc1cc2c([n-]c(CS(=O)(=O)c3cc(Cl)ccc3Cl)nc2=O)s1 ZINC000193912461 887834902 /nfs/dbraw/zinc/83/49/02/887834902.db2.gz HZRFJOANEWABOE-UHFFFAOYSA-N -1 3 389.285 3.574 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCC1 ZINC000054220829 887916511 /nfs/dbraw/zinc/91/65/11/887916511.db2.gz XKFAGXODYIBTSX-UHFFFAOYSA-N -1 3 376.456 3.779 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)[C@@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC000794775052 888011089 /nfs/dbraw/zinc/01/10/89/888011089.db2.gz MDSNDNDKMYYKHC-JNDILOIQSA-N -1 3 376.787 3.791 20 0 GHADHM O=C([N-]C[C@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000810067618 888155432 /nfs/dbraw/zinc/15/54/32/888155432.db2.gz XDYCJDNZXQCANV-LLVKDONJSA-N -1 3 399.240 3.763 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000810070756 888157054 /nfs/dbraw/zinc/15/70/54/888157054.db2.gz XENKXTUPJKCJFB-LBPRGKRZSA-N -1 3 383.241 3.926 20 0 GHADHM CCCCc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810143354 888211801 /nfs/dbraw/zinc/21/18/01/888211801.db2.gz FQQDHJDEHFSKLD-HNNXBMFYSA-N -1 3 385.430 3.952 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)c(C)c1 ZINC000055632331 888219662 /nfs/dbraw/zinc/21/96/62/888219662.db2.gz GYBSGHCWTIAHNO-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM O=C(NCCNC(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC001184450547 913229519 /nfs/dbraw/zinc/22/95/19/913229519.db2.gz LBAVLFASJBKPCT-UHFFFAOYSA-N -1 3 382.410 3.779 20 0 GHADHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001211965444 888319043 /nfs/dbraw/zinc/31/90/43/888319043.db2.gz DLYWUAPXSOBHAG-AWEZNQCLSA-N -1 3 385.835 3.578 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccoc3Br)c2)n1 ZINC000193786793 888523626 /nfs/dbraw/zinc/52/36/26/888523626.db2.gz FOJDGOWMRVXJGZ-UHFFFAOYSA-N -1 3 388.221 3.607 20 0 GHADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000747608012 888610095 /nfs/dbraw/zinc/61/00/95/888610095.db2.gz ULKHTRVTPZYTFQ-GHXNOFRVSA-N -1 3 389.473 3.769 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000794873258 888614613 /nfs/dbraw/zinc/61/46/13/888614613.db2.gz YWJBYKBNEBOKTF-VXGBXAGGSA-N -1 3 377.510 3.548 20 0 GHADHM COC(=O)c1ccc(Cl)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000810596063 888678715 /nfs/dbraw/zinc/67/87/15/888678715.db2.gz IOJLRPAKPVOTEV-UHFFFAOYSA-N -1 3 398.802 3.817 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000459382394 888698388 /nfs/dbraw/zinc/69/83/88/888698388.db2.gz DSAZTYDJUXXTCH-NSHDSACASA-N -1 3 375.266 3.890 20 0 GHADHM Cc1nc(C)c(CCC(=O)O[C@H]2CCC[C@@H]2Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000120904759 888734305 /nfs/dbraw/zinc/73/43/05/888734305.db2.gz ZQLCMYIUUBTENW-APWZRJJASA-N -1 3 388.895 3.927 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)cc1OC ZINC000454306451 888809023 /nfs/dbraw/zinc/80/90/23/888809023.db2.gz CAQMHWWUUVEPJI-QAPCUYQASA-N -1 3 397.541 3.601 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4ccc(Cl)cc4n3)nc21 ZINC000532760081 888896962 /nfs/dbraw/zinc/89/69/62/888896962.db2.gz HGOJROJAVPVHDK-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM CCC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(C(F)(F)F)c1 ZINC000866628068 888978321 /nfs/dbraw/zinc/97/83/21/888978321.db2.gz JHYXSCFQEIRYSZ-HNNXBMFYSA-N -1 3 381.398 3.905 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(OCc2ccccc2)cc1 ZINC000866629100 888980773 /nfs/dbraw/zinc/98/07/73/888980773.db2.gz WIFBFGFADIMXSJ-INIZCTEOSA-N -1 3 391.471 3.685 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(SC(F)(F)F)c1 ZINC000866630334 888984392 /nfs/dbraw/zinc/98/43/92/888984392.db2.gz OFQAOHNNQWDTKA-SNVBAGLBSA-N -1 3 385.411 3.718 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC(C)(C)C1 ZINC000810900541 889008641 /nfs/dbraw/zinc/00/86/41/889008641.db2.gz YNPKKHSOIGEZEH-KFWWJZLASA-N -1 3 376.463 3.756 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000532932550 889313954 /nfs/dbraw/zinc/31/39/54/889313954.db2.gz XGUDEELNPQUXST-SKDRFNHKSA-N -1 3 388.258 3.783 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000532932541 889314826 /nfs/dbraw/zinc/31/48/26/889314826.db2.gz XGUDEELNPQUXST-CABZTGNLSA-N -1 3 388.258 3.783 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2C)cc1 ZINC000063174905 889517811 /nfs/dbraw/zinc/51/78/11/889517811.db2.gz VKYWBEGNSFBZPX-UHFFFAOYSA-N -1 3 390.505 3.724 20 0 GHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC(=O)Nc1ccccc1 ZINC000811393911 889534377 /nfs/dbraw/zinc/53/43/77/889534377.db2.gz HNKYQZXHTLOFDR-SECBINFHSA-N -1 3 391.836 3.776 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811397298 889537375 /nfs/dbraw/zinc/53/73/75/889537375.db2.gz YJCAJOVGKCAANX-JTQLQIEISA-N -1 3 392.864 3.926 20 0 GHADHM Cc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(Br)c1 ZINC000811515494 889712465 /nfs/dbraw/zinc/71/24/65/889712465.db2.gz WCIORGKSCNVAFU-LBPRGKRZSA-N -1 3 393.247 3.648 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000811838224 890023817 /nfs/dbraw/zinc/02/38/17/890023817.db2.gz ABGJKDIUXVDMGW-XFXZXTDPSA-N -1 3 395.477 3.925 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001127419193 890229679 /nfs/dbraw/zinc/22/96/79/890229679.db2.gz MMGFWQGAZKGTBD-CYBMUJFWSA-N -1 3 381.432 3.881 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000125976920 890300602 /nfs/dbraw/zinc/30/06/02/890300602.db2.gz SAPVVTOLOPYUCC-UHFFFAOYSA-N -1 3 378.358 3.559 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000125976920 890300620 /nfs/dbraw/zinc/30/06/20/890300620.db2.gz SAPVVTOLOPYUCC-UHFFFAOYSA-N -1 3 378.358 3.559 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274903 890493508 /nfs/dbraw/zinc/49/35/08/890493508.db2.gz LVPCVNKIZORYRI-ZOBUZTSGSA-N -1 3 384.442 3.733 20 0 GHADHM CCC(CC)(CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000871264295 890716475 /nfs/dbraw/zinc/71/64/75/890716475.db2.gz KIFDQUCMWIIBIL-UHFFFAOYSA-N -1 3 396.413 3.580 20 0 GHADHM O=C(CCCC(F)(F)F)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315447 890749747 /nfs/dbraw/zinc/74/97/47/890749747.db2.gz JEFYOEDRGQALDC-LLVKDONJSA-N -1 3 396.331 3.918 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1nnc2ccccc2c1[O-] ZINC000812614928 890804179 /nfs/dbraw/zinc/80/41/79/890804179.db2.gz VXESWXSFGWBDTO-MQMHXKEQSA-N -1 3 398.260 3.774 20 0 GHADHM CCC1(CC)CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000871758358 891005048 /nfs/dbraw/zinc/00/50/48/891005048.db2.gz QWARGMXYSASSEJ-UHFFFAOYSA-N -1 3 383.514 3.643 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cccc(Cl)c1Br)C(=O)[O-] ZINC000871878613 891070478 /nfs/dbraw/zinc/07/04/78/891070478.db2.gz PYVJOYCDVFCYQS-RNCFNFMXSA-N -1 3 378.694 3.849 20 0 GHADHM C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc([O-])c1F ZINC000872020216 891119145 /nfs/dbraw/zinc/11/91/45/891119145.db2.gz FLXOFIZURZYKDB-OAHLLOKOSA-N -1 3 392.496 3.557 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1cccnc1Cl ZINC001184907724 913528020 /nfs/dbraw/zinc/52/80/20/913528020.db2.gz WLPPZCSVBPMZCR-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM COc1ccccc1-c1nc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)co1 ZINC000872161231 891185575 /nfs/dbraw/zinc/18/55/75/891185575.db2.gz VIYRUFUDNGYBMP-RTBURBONSA-N -1 3 378.428 3.650 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@]4(C(=O)[O-])CCC[C@H]34)cs2)c(OC)c1 ZINC000872169158 891194204 /nfs/dbraw/zinc/19/42/04/891194204.db2.gz GTNYOEIDZBGYNM-FXAWDEMLSA-N -1 3 388.489 3.657 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cc(Cl)ccc1[O-] ZINC000067139103 891205964 /nfs/dbraw/zinc/20/59/64/891205964.db2.gz PKCZXQIAQPWYHI-UHFFFAOYSA-N -1 3 377.809 3.529 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000796181420 913547987 /nfs/dbraw/zinc/54/79/87/913547987.db2.gz KPRKFPHHVNCJPD-CQSZACIVSA-N -1 3 390.336 3.753 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN[C@H](C)CC(=O)[O-] ZINC000813354878 891535615 /nfs/dbraw/zinc/53/56/15/891535615.db2.gz LMFGKKPOGGAISG-SECBINFHSA-N -1 3 375.778 3.806 20 0 GHADHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)sc1-c1cccc(Cl)c1 ZINC000614922154 891599091 /nfs/dbraw/zinc/59/90/91/891599091.db2.gz XXHPAHNZCUSCLM-UHFFFAOYSA-N -1 3 375.881 3.763 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(I)ccc1[O-])c1ccccc1 ZINC001185021385 913582830 /nfs/dbraw/zinc/58/28/30/913582830.db2.gz GNCFMTTXGADSGZ-SNVBAGLBSA-N -1 3 382.201 3.880 20 0 GHADHM CC(C)Oc1ccc(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000873645854 891723079 /nfs/dbraw/zinc/72/30/79/891723079.db2.gz RSRGTYALPXBCEM-HZPDHXFCSA-N -1 3 391.899 3.551 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000772848660 891724168 /nfs/dbraw/zinc/72/41/68/891724168.db2.gz XFDFDRVDHRIRMI-OAHLLOKOSA-N -1 3 398.242 3.938 20 0 GHADHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1sccc1Br ZINC001133828249 891757914 /nfs/dbraw/zinc/75/79/14/891757914.db2.gz UYMCASBZKGUWNU-UHFFFAOYSA-N -1 3 376.178 3.828 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(-c3nnc(C)o3)c2)c(C(=O)OCC)[n-]1 ZINC000191962912 891801620 /nfs/dbraw/zinc/80/16/20/891801620.db2.gz ZZNNWDJKNQFSLU-UHFFFAOYSA-N -1 3 397.435 3.540 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000813652403 891840525 /nfs/dbraw/zinc/84/05/25/891840525.db2.gz BGHWRZWOEHRLNR-RTWAWAEBSA-N -1 3 380.419 3.805 20 0 GHADHM CSc1nc(C)c(CCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c(=O)[n-]1 ZINC000161962603 891865931 /nfs/dbraw/zinc/86/59/31/891865931.db2.gz OHIRBYDVVIBLSQ-UHFFFAOYSA-N -1 3 397.504 3.515 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000253547978 891878670 /nfs/dbraw/zinc/87/86/70/891878670.db2.gz SPUUWBJEBFIVCR-BZNIZROVSA-N -1 3 383.473 3.685 20 0 GHADHM O=C(COc1ccc(Oc2ccccn2)cc1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497580132 891928156 /nfs/dbraw/zinc/92/81/56/891928156.db2.gz XXYXRZNFIMTYHK-UHFFFAOYSA-N -1 3 386.411 3.703 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN(Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000874043544 891965920 /nfs/dbraw/zinc/96/59/20/891965920.db2.gz VIYNAAJUGUPHAU-FQEVSTJZSA-N -1 3 391.899 3.572 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)[n-]1 ZINC000813890527 892073890 /nfs/dbraw/zinc/07/38/90/892073890.db2.gz MCSGVWYMGZJEFS-UHFFFAOYSA-N -1 3 384.392 3.865 20 0 GHADHM CC(C)(NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000917602639 892271656 /nfs/dbraw/zinc/27/16/56/892271656.db2.gz YNNAOSMGFOVXSV-WJDWOHSUSA-N -1 3 385.261 3.585 20 0 GHADHM COc1ccccc1[C@H]1CSCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000874926551 892378229 /nfs/dbraw/zinc/37/82/29/892378229.db2.gz MENFXPPQWBJNKM-LJQANCHMSA-N -1 3 394.496 3.857 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1C ZINC001185137287 913657493 /nfs/dbraw/zinc/65/74/93/913657493.db2.gz ANNNMJVYELRGIN-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM O=C(CC1(c2cccc(Cl)c2)CCOCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC001185133445 913687432 /nfs/dbraw/zinc/68/74/32/913687432.db2.gz MBMGXIPVKTZRBR-UHFFFAOYSA-N -1 3 388.777 3.554 20 0 GHADHM O=C(CC1(c2cccc(Cl)c2)CCOCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001185133445 913687441 /nfs/dbraw/zinc/68/74/41/913687441.db2.gz MBMGXIPVKTZRBR-UHFFFAOYSA-N -1 3 388.777 3.554 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1n[nH]c(C2CC2)c1Br ZINC000497974749 892858659 /nfs/dbraw/zinc/85/86/59/892858659.db2.gz CPFITYDYJQMAGT-UHFFFAOYSA-N -1 3 396.295 3.882 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185185239 913709659 /nfs/dbraw/zinc/70/96/59/913709659.db2.gz CDCNDLOTGRHLCL-UHFFFAOYSA-N -1 3 394.250 3.608 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCN1CCc2ccccc21 ZINC001185191641 913715618 /nfs/dbraw/zinc/71/56/18/913715618.db2.gz ALAMFHLMYFNOPU-UHFFFAOYSA-N -1 3 388.464 3.611 20 0 GHADHM Cc1cccc([C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C(=O)OC(C)(C)C)c1 ZINC001134609623 893102141 /nfs/dbraw/zinc/10/21/41/893102141.db2.gz LBHKCPCQJDMTHN-IBGZPJMESA-N -1 3 392.455 3.649 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185222199 913737740 /nfs/dbraw/zinc/73/77/40/913737740.db2.gz QTEUZEKSVHTOAA-UHFFFAOYSA-N -1 3 392.820 3.582 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1OC ZINC000918163658 893293092 /nfs/dbraw/zinc/29/30/92/893293092.db2.gz RXWHHPAWCYYWRE-UHFFFAOYSA-N -1 3 394.468 3.552 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@]3(C)CCC[C@@H]3C)[n-]c2c(Br)c1 ZINC001134788493 893305456 /nfs/dbraw/zinc/30/54/56/893305456.db2.gz DEBLJALGBCIFCW-XYZCENFISA-N -1 3 394.269 3.877 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(F)(F)F)c1ccc(-c2cnco2)cc1 ZINC001185247671 913759216 /nfs/dbraw/zinc/75/92/16/913759216.db2.gz LPGCKZWSFFUBNE-MRXNPFEDSA-N -1 3 398.362 3.629 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)c1cnccc1-c1nnn[n-]1 ZINC000825918649 893372710 /nfs/dbraw/zinc/37/27/10/893372710.db2.gz IUOCVEXKDWBGSH-UHFFFAOYSA-N -1 3 389.463 3.766 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)c1cnccc1-c1nn[n-]n1 ZINC000825918649 893372730 /nfs/dbraw/zinc/37/27/30/893372730.db2.gz IUOCVEXKDWBGSH-UHFFFAOYSA-N -1 3 389.463 3.766 20 0 GHADHM CSc1cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)ccn1 ZINC000536667125 893486940 /nfs/dbraw/zinc/48/69/40/893486940.db2.gz YPFLQPHGFRDYEQ-UHFFFAOYSA-N -1 3 381.461 3.596 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459442743 893531874 /nfs/dbraw/zinc/53/18/74/893531874.db2.gz CWZUXLOXJUHUBL-KRWDZBQOSA-N -1 3 390.487 3.501 20 0 GHADHM COc1ccc2c(c1OC)CCN(Cc1cccc([O-])c1Br)C2 ZINC000459478457 893588956 /nfs/dbraw/zinc/58/89/56/893588956.db2.gz IQMARXQMXNSNIT-UHFFFAOYSA-N -1 3 378.266 3.730 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000069604429 893607358 /nfs/dbraw/zinc/60/73/58/893607358.db2.gz QGUMUHABHAQSOV-LBPRGKRZSA-N -1 3 391.345 3.608 20 0 GHADHM CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000069747034 893801410 /nfs/dbraw/zinc/80/14/10/893801410.db2.gz YMOSRHCNMMWLGI-UHFFFAOYSA-N -1 3 390.480 3.807 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000877936804 893903511 /nfs/dbraw/zinc/90/35/11/893903511.db2.gz CVICVECNFDDXOF-MRXNPFEDSA-N -1 3 379.416 3.551 20 0 GHADHM O=C(Nc1ccc(COc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000536894342 894050794 /nfs/dbraw/zinc/05/07/94/894050794.db2.gz UEABUIUFZHKNMS-UHFFFAOYSA-N -1 3 387.395 3.793 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc([O-])c(I)c2)cc1 ZINC001185400798 913838712 /nfs/dbraw/zinc/83/87/12/913838712.db2.gz BGKGGKQMMZBJJU-UHFFFAOYSA-N -1 3 382.201 3.627 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878266684 894140310 /nfs/dbraw/zinc/14/03/10/894140310.db2.gz ZPVUFNPBXCFIII-KRWDZBQOSA-N -1 3 375.432 3.666 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000537017514 894197370 /nfs/dbraw/zinc/19/73/70/894197370.db2.gz BKOCDTKRQVICCL-ZBFHGGJFSA-N -1 3 391.798 3.566 20 0 GHADHM O=c1[nH]cc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185425073 913852333 /nfs/dbraw/zinc/85/23/33/913852333.db2.gz GJQQJDMFEIBQPC-UHFFFAOYSA-N -1 3 383.454 3.865 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C)c2ccccc2NC(=O)c2ccccc2)c[n-]1 ZINC000815929292 894307295 /nfs/dbraw/zinc/30/72/95/894307295.db2.gz GVQHVLHCDFDESX-CQSZACIVSA-N -1 3 392.411 3.972 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c[n-]1 ZINC000815919517 894328813 /nfs/dbraw/zinc/32/88/13/894328813.db2.gz CDLXWUWSKMWZCQ-UHFFFAOYSA-N -1 3 394.214 3.651 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc4c(c3)NC(=O)C4(C)C)c2)n1 ZINC000815961937 894337089 /nfs/dbraw/zinc/33/70/89/894337089.db2.gz DAIDVSISZNXMLU-UHFFFAOYSA-N -1 3 389.411 3.607 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)[n-]n1 ZINC001185445070 913867768 /nfs/dbraw/zinc/86/77/68/913867768.db2.gz TYILFIMFXJGLKO-UHFFFAOYSA-N -1 3 385.370 3.635 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)n[n-]1 ZINC001185445070 913867772 /nfs/dbraw/zinc/86/77/72/913867772.db2.gz TYILFIMFXJGLKO-UHFFFAOYSA-N -1 3 385.370 3.635 20 0 GHADHM CCC[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000460014182 894517993 /nfs/dbraw/zinc/51/79/93/894517993.db2.gz URMPPONCPWRNNG-SFHVURJKSA-N -1 3 390.505 3.858 20 0 GHADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878714242 894530518 /nfs/dbraw/zinc/53/05/18/894530518.db2.gz LEIGGIXBGIJQBK-OAHLLOKOSA-N -1 3 387.480 3.776 20 0 GHADHM CCO[N-]C(=O)CCCN(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000778373283 894717269 /nfs/dbraw/zinc/71/72/69/894717269.db2.gz LVYVJMDBEGMZOV-UHFFFAOYSA-N -1 3 382.460 3.715 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)c1cccc(Br)c1[O-])c1ccco1 ZINC000564245001 894763546 /nfs/dbraw/zinc/76/35/46/894763546.db2.gz QQQGMQOWXLGYDW-SMDDNHRTSA-N -1 3 381.270 3.607 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OC[C@H]1CC1(F)F ZINC000816416796 894794949 /nfs/dbraw/zinc/79/49/49/894794949.db2.gz BRESCBQARQPFAC-GFCCVEGCSA-N -1 3 399.390 3.747 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1 ZINC000645469031 913918745 /nfs/dbraw/zinc/91/87/45/913918745.db2.gz IMYDLDZVYFNLNO-GOSISDBHSA-N -1 3 392.521 3.746 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000816561551 894946338 /nfs/dbraw/zinc/94/63/38/894946338.db2.gz BSRJHWFMJNZKBP-SFHVURJKSA-N -1 3 398.469 3.809 20 0 GHADHM COc1ccc(C)cc1CCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001135662413 895018782 /nfs/dbraw/zinc/01/87/82/895018782.db2.gz SDETZKJBWLVQGF-UHFFFAOYSA-N -1 3 391.493 3.780 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccccc1Br ZINC000023345739 895084468 /nfs/dbraw/zinc/08/44/68/895084468.db2.gz DDYVQXXUSDBNBN-UHFFFAOYSA-N -1 3 379.235 3.787 20 0 GHADHM Cc1cc(S(=O)(=O)Nc2cccc([O-])c2Br)ccc1Cl ZINC001185532809 913944893 /nfs/dbraw/zinc/94/48/93/913944893.db2.gz SVPVNBLOHDFMOI-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=C(N[C@H]1CC2CCC1CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000564718236 895206916 /nfs/dbraw/zinc/20/69/16/895206916.db2.gz FXEOYCFTMBCYPI-NWHVRFAMSA-N -1 3 375.266 3.599 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(CF)CCC3)cc2)cc1 ZINC000565015721 895349603 /nfs/dbraw/zinc/34/96/03/895349603.db2.gz XOTGFCPHGCRJOY-UHFFFAOYSA-N -1 3 376.453 3.874 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1(Cl)Cl ZINC000817141079 895350516 /nfs/dbraw/zinc/35/05/16/895350516.db2.gz HQTNYFYUJGZAEA-LLVKDONJSA-N -1 3 394.654 3.804 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3nn(C)c4ccccc34)nc(=O)c2c1C ZINC000817204317 895391386 /nfs/dbraw/zinc/39/13/86/895391386.db2.gz JYAFMLJDKZDCEI-LLVKDONJSA-N -1 3 396.472 3.747 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nn(C)c(C)c3Cl)nc(=O)c2c1C ZINC000817260713 895427113 /nfs/dbraw/zinc/42/71/13/895427113.db2.gz KCVXBBWOPPASMJ-MRVPVSSYSA-N -1 3 380.857 3.627 20 0 GHADHM COCc1nsc(N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826165943 895725195 /nfs/dbraw/zinc/72/51/95/895725195.db2.gz OSZYMLXSFBWOHS-GFCCVEGCSA-N -1 3 393.476 3.705 20 0 GHADHM COCc1nsc(N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826165943 895725204 /nfs/dbraw/zinc/72/52/04/895725204.db2.gz OSZYMLXSFBWOHS-GFCCVEGCSA-N -1 3 393.476 3.705 20 0 GHADHM COc1ccc(N[C@H](C)Cc2ccc(F)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000817581765 895753547 /nfs/dbraw/zinc/75/35/47/895753547.db2.gz UVLUPSYZNKUBCM-LLVKDONJSA-N -1 3 386.876 3.902 20 0 GHADHM CC[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000128588156 895838312 /nfs/dbraw/zinc/83/83/12/895838312.db2.gz LLSKFEWKMQYXOF-INIZCTEOSA-N -1 3 387.379 3.784 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000565834457 895918067 /nfs/dbraw/zinc/91/80/67/895918067.db2.gz QAFJNXJDRHQBOP-SSDOTTSWSA-N -1 3 376.640 3.616 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)nc1 ZINC001185696700 914025608 /nfs/dbraw/zinc/02/56/08/914025608.db2.gz IHJSTDZOCCDXQP-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CSc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC001136072883 895976609 /nfs/dbraw/zinc/97/66/09/895976609.db2.gz JMZYPAQVYGEMAT-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CSc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC001136072883 895976619 /nfs/dbraw/zinc/97/66/19/895976619.db2.gz JMZYPAQVYGEMAT-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM Nc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c([O-])c1 ZINC000817930741 895979506 /nfs/dbraw/zinc/97/95/06/895979506.db2.gz FLTAELISYOIRJB-ZDUSSCGKSA-N -1 3 398.850 3.698 20 0 GHADHM Nc1ccc(C(=O)N2CCC(c3ccccc3Br)CC2)c([O-])c1 ZINC000817999540 895983538 /nfs/dbraw/zinc/98/35/38/895983538.db2.gz SQFJQQPFFHYXMY-UHFFFAOYSA-N -1 3 375.266 3.757 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN(C)[C@@H](CC(C)C)C(=O)[O-])cc2)cc1 ZINC000565957304 896008763 /nfs/dbraw/zinc/00/87/63/896008763.db2.gz NEQNFYKHJNGTMJ-FQEVSTJZSA-N -1 3 389.517 3.759 20 0 GHADHM COc1ccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1Cl ZINC000826201752 896220198 /nfs/dbraw/zinc/22/01/98/896220198.db2.gz CSDMJORGRVXNIE-OAHLLOKOSA-N -1 3 397.788 3.922 20 0 GHADHM COc1ccc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1Cl ZINC000826201752 896220210 /nfs/dbraw/zinc/22/02/10/896220210.db2.gz CSDMJORGRVXNIE-OAHLLOKOSA-N -1 3 397.788 3.922 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)c2ccccc21)C(F)(F)F ZINC000881434707 896329927 /nfs/dbraw/zinc/32/99/27/896329927.db2.gz XKKLTYWQDVUMMZ-CYBMUJFWSA-N -1 3 391.393 3.705 20 0 GHADHM CS[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224567 896481527 /nfs/dbraw/zinc/48/15/27/896481527.db2.gz HXWWHKUFBNIKDB-UONOGXRCSA-N -1 3 381.505 3.853 20 0 GHADHM CS[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224567 896481531 /nfs/dbraw/zinc/48/15/31/896481531.db2.gz HXWWHKUFBNIKDB-UONOGXRCSA-N -1 3 381.505 3.853 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000566702164 896505842 /nfs/dbraw/zinc/50/58/42/896505842.db2.gz XLTSRVYQLNQPRN-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@H](C)c2ccco2)CC1 ZINC000826254679 896740122 /nfs/dbraw/zinc/74/01/22/896740122.db2.gz WNPXCKPMHDHCQJ-ODIFPOPNSA-N -1 3 395.463 3.838 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C1CCCCC1 ZINC000826260818 896748977 /nfs/dbraw/zinc/74/89/77/896748977.db2.gz FSUNQUCMDKMNHT-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C1CCCCC1 ZINC000826260818 896748982 /nfs/dbraw/zinc/74/89/82/896748982.db2.gz FSUNQUCMDKMNHT-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826264059 896750329 /nfs/dbraw/zinc/75/03/29/896750329.db2.gz AQOBBZFRFRYPDD-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826264377 896763310 /nfs/dbraw/zinc/76/33/10/896763310.db2.gz MBTBESVFFNVGSV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826264377 896763323 /nfs/dbraw/zinc/76/33/23/896763323.db2.gz MBTBESVFFNVGSV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@H]1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCO1 ZINC000567374002 897099011 /nfs/dbraw/zinc/09/90/11/897099011.db2.gz GFRQADHDLZVKGF-GXSJLCMTSA-N -1 3 390.241 3.567 20 0 GHADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567462433 897178337 /nfs/dbraw/zinc/17/83/37/897178337.db2.gz UWGYHDQYSLGASU-BBATYDOGSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1cccc(F)c1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826298495 897227902 /nfs/dbraw/zinc/22/79/02/897227902.db2.gz VQLZOMCBMGDRMK-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cccc(F)c1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826298495 897227919 /nfs/dbraw/zinc/22/79/19/897227919.db2.gz VQLZOMCBMGDRMK-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342131 897281808 /nfs/dbraw/zinc/28/18/08/897281808.db2.gz UBBURPNTRRIFLJ-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342131 897281821 /nfs/dbraw/zinc/28/18/21/897281821.db2.gz UBBURPNTRRIFLJ-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2nccc(C)c2Br)cc1C ZINC000567754050 897379335 /nfs/dbraw/zinc/37/93/35/897379335.db2.gz PCVGYCBNJOYQSI-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cc1 ZINC000820799296 897556705 /nfs/dbraw/zinc/55/67/05/897556705.db2.gz JCFLNTBYLFEWOH-UHFFFAOYSA-N -1 3 389.260 3.756 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](C(F)(F)F)[C@H](CO)C3)c2c1 ZINC000568274580 897708257 /nfs/dbraw/zinc/70/82/57/897708257.db2.gz HDHIZMQIZKSQMF-WFASDCNBSA-N -1 3 382.382 3.547 20 0 GHADHM CCN(CC)[C@@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821175082 897780267 /nfs/dbraw/zinc/78/02/67/897780267.db2.gz CETPVVOBNNCUCA-HNAYVOBHSA-N -1 3 379.464 3.554 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cc(C)ccc1C ZINC000821230302 897795626 /nfs/dbraw/zinc/79/56/26/897795626.db2.gz FZIPTMQWTAFYLA-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cc(C)ccc1C ZINC000821230302 897795633 /nfs/dbraw/zinc/79/56/33/897795633.db2.gz FZIPTMQWTAFYLA-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(CN2CCCC2)on1 ZINC000568459826 897855377 /nfs/dbraw/zinc/85/53/77/897855377.db2.gz UYFFJGYWDTZFHL-UHFFFAOYSA-N -1 3 389.868 3.695 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000132702503 897877980 /nfs/dbraw/zinc/87/79/80/897877980.db2.gz YPNOHWGHTHSYKC-UHFFFAOYSA-N -1 3 378.403 3.963 20 0 GHADHM COc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1OCC(F)(F)F ZINC000821560408 897966629 /nfs/dbraw/zinc/96/66/29/897966629.db2.gz PARRMIXNXVKANR-UHFFFAOYSA-N -1 3 383.248 3.631 20 0 GHADHM COc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1OCC(F)(F)F ZINC000821560408 897966638 /nfs/dbraw/zinc/96/66/38/897966638.db2.gz PARRMIXNXVKANR-UHFFFAOYSA-N -1 3 383.248 3.631 20 0 GHADHM Cc1cnc(C)c(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])n1 ZINC001185929855 914209740 /nfs/dbraw/zinc/20/97/40/914209740.db2.gz MOOPWVHZUXXSGT-UHFFFAOYSA-N -1 3 384.480 3.508 20 0 GHADHM COc1ccc(-c2cnc(CNc3ccc(-c4nn[n-]n4)cc3Cl)o2)cc1 ZINC000821731337 898040021 /nfs/dbraw/zinc/04/00/21/898040021.db2.gz AVDYQVLFUFJUOV-UHFFFAOYSA-N -1 3 382.811 3.796 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000821777142 898070911 /nfs/dbraw/zinc/07/09/11/898070911.db2.gz BABXOLDOFHEPEB-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000821777142 898070921 /nfs/dbraw/zinc/07/09/21/898070921.db2.gz BABXOLDOFHEPEB-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC001185998151 914220970 /nfs/dbraw/zinc/22/09/70/914220970.db2.gz SPCYMDPTQMDTOM-CYBMUJFWSA-N -1 3 388.461 3.663 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1)C(F)(F)F ZINC000289526042 914224946 /nfs/dbraw/zinc/22/49/46/914224946.db2.gz ODZDCOMVELWZCR-ZDUSSCGKSA-N -1 3 379.382 3.762 20 0 GHADHM CCOCCCN(Cc1ccc(F)cc1Br)C[C@@H](C)C(=O)[O-] ZINC000568891763 898194463 /nfs/dbraw/zinc/19/44/63/898194463.db2.gz XXLJAADIILEIKE-GFCCVEGCSA-N -1 3 376.266 3.538 20 0 GHADHM Cc1nc(-c2ccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)s2)cs1 ZINC000029185523 898198501 /nfs/dbraw/zinc/19/85/01/898198501.db2.gz MGCKQHSHPXTDEN-OQLLNIDSSA-N -1 3 381.482 3.581 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc(SC)ccc1[O-] ZINC001136563115 898257884 /nfs/dbraw/zinc/25/78/84/898257884.db2.gz QGTXVBRSHVKKOJ-UHFFFAOYSA-N -1 3 385.441 3.967 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)[C@H](C)CO2)c1 ZINC000822232040 898262271 /nfs/dbraw/zinc/26/22/71/898262271.db2.gz RLXLMQLIIGBTIG-QRWLVFNGSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)[C@H](C)CO2)c1 ZINC000822232040 898262287 /nfs/dbraw/zinc/26/22/87/898262287.db2.gz RLXLMQLIIGBTIG-QRWLVFNGSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289554941 914236949 /nfs/dbraw/zinc/23/69/49/914236949.db2.gz QKXONAHREMSKMK-LLVKDONJSA-N -1 3 377.794 3.571 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c([O-])c1 ZINC001136595183 898457128 /nfs/dbraw/zinc/45/71/28/898457128.db2.gz VGTCBZJKWZHNED-UHFFFAOYSA-N -1 3 391.423 3.688 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1cc(Br)ccc1F ZINC000799092895 898612891 /nfs/dbraw/zinc/61/28/91/898612891.db2.gz FKHMLGLXQHPLDP-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM FC(F)(F)CCc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822719119 898618213 /nfs/dbraw/zinc/61/82/13/898618213.db2.gz ZODHMAGCAMJTFC-UHFFFAOYSA-N -1 3 387.369 3.621 20 0 GHADHM FC(F)(F)CCc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822719119 898618221 /nfs/dbraw/zinc/61/82/21/898618221.db2.gz ZODHMAGCAMJTFC-UHFFFAOYSA-N -1 3 387.369 3.621 20 0 GHADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000822824174 898655543 /nfs/dbraw/zinc/65/55/43/898655543.db2.gz GQJHXOBNSXIFEZ-LLVKDONJSA-N -1 3 380.370 3.695 20 0 GHADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000822824174 898655553 /nfs/dbraw/zinc/65/55/53/898655553.db2.gz GQJHXOBNSXIFEZ-LLVKDONJSA-N -1 3 380.370 3.695 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc2nn[n-]c21 ZINC000800209967 898745987 /nfs/dbraw/zinc/74/59/87/898745987.db2.gz IDXFHMCSLKBMNR-UHFFFAOYSA-N -1 3 390.186 3.672 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc2[n-]nnc21 ZINC000800209967 898745997 /nfs/dbraw/zinc/74/59/97/898745997.db2.gz IDXFHMCSLKBMNR-UHFFFAOYSA-N -1 3 390.186 3.672 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc2n[n-]nc21 ZINC000800209967 898746006 /nfs/dbraw/zinc/74/60/06/898746006.db2.gz IDXFHMCSLKBMNR-UHFFFAOYSA-N -1 3 390.186 3.672 20 0 GHADHM CCC[C@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000043712987 898837682 /nfs/dbraw/zinc/83/76/82/898837682.db2.gz GQOJFIUVGVJRDC-INIZCTEOSA-N -1 3 390.281 3.935 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001202666321 898994588 /nfs/dbraw/zinc/99/45/88/898994588.db2.gz JENXIHZCSOOHGS-MRVPVSSYSA-N -1 3 375.326 3.633 20 0 GHADHM O=c1[n-]cnc2c1CN(c1ccc3cc(Br)cc(Cl)c3n1)CC2 ZINC000569876885 899002351 /nfs/dbraw/zinc/00/23/51/899002351.db2.gz FDYVLKSELVFCMY-UHFFFAOYSA-N -1 3 391.656 3.709 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC4(CCC4)C[C@@H]3C)cs2)c1 ZINC000570026858 899080200 /nfs/dbraw/zinc/08/02/00/899080200.db2.gz GECNAVKWERVZHF-AWEZNQCLSA-N -1 3 399.516 3.743 20 0 GHADHM O=[S@@](Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1)c1ccccc1 ZINC000823613915 899134132 /nfs/dbraw/zinc/13/41/32/899134132.db2.gz LYNGJYLMIACEJK-MHZLTWQESA-N -1 3 395.513 3.848 20 0 GHADHM c1coc([C@H]2CN(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)CCO2)c1 ZINC000823816834 899254538 /nfs/dbraw/zinc/25/45/38/899254538.db2.gz ZWTJMNLLFRSGGR-OAQYLSRUSA-N -1 3 387.443 3.700 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)cc(Cl)c1[O-] ZINC000331931155 899272765 /nfs/dbraw/zinc/27/27/65/899272765.db2.gz PRVOXZXDSYNVGB-CYBMUJFWSA-N -1 3 378.860 3.663 20 0 GHADHM C[C@H](CNC(=O)c1cc(Br)cc(F)c1[O-])N(C)Cc1ccccc1 ZINC001136793591 899309616 /nfs/dbraw/zinc/30/96/16/899309616.db2.gz MHNKIKAYTZLFHM-GFCCVEGCSA-N -1 3 395.272 3.544 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824149950 899413020 /nfs/dbraw/zinc/41/30/20/899413020.db2.gz COXDMGLUCIILAV-UHFFFAOYSA-N -1 3 394.566 3.598 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000824148466 899413341 /nfs/dbraw/zinc/41/33/41/899413341.db2.gz WAQIAQMYNDLHIC-CQSZACIVSA-N -1 3 384.871 3.745 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000824148466 899413345 /nfs/dbraw/zinc/41/33/45/899413345.db2.gz WAQIAQMYNDLHIC-CQSZACIVSA-N -1 3 384.871 3.745 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332140561 899430052 /nfs/dbraw/zinc/43/00/52/899430052.db2.gz JDFLZCUWBHVIBT-OQPBUACISA-N -1 3 383.673 3.862 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(OC)cc2)nc1C ZINC000156193896 899515069 /nfs/dbraw/zinc/51/50/69/899515069.db2.gz ATDLUWIHMDVIBP-LLVKDONJSA-N -1 3 398.431 3.606 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000332288355 899544909 /nfs/dbraw/zinc/54/49/09/899544909.db2.gz IWCIPUHALRICAU-MRXNPFEDSA-N -1 3 393.892 3.770 20 0 GHADHM C[C@H](NC(=O)CC(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479616 899625781 /nfs/dbraw/zinc/62/57/81/899625781.db2.gz OUHDFROZGBJNFK-NSHDSACASA-N -1 3 375.354 3.663 20 0 GHADHM C[C@H](NC(=O)CC(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479616 899625789 /nfs/dbraw/zinc/62/57/89/899625789.db2.gz OUHDFROZGBJNFK-NSHDSACASA-N -1 3 375.354 3.663 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC000570867308 899651775 /nfs/dbraw/zinc/65/17/75/899651775.db2.gz WWSOVGPKXKOJHD-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM C[C@H](NC(=O)NC1(C2CC2)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498456 899665546 /nfs/dbraw/zinc/66/55/46/899665546.db2.gz HNQLJCFZRZRDLZ-AWEZNQCLSA-N -1 3 388.475 3.837 20 0 GHADHM C[C@H](NC(=O)NC1(C2CC2)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498456 899665560 /nfs/dbraw/zinc/66/55/60/899665560.db2.gz HNQLJCFZRZRDLZ-AWEZNQCLSA-N -1 3 388.475 3.837 20 0 GHADHM O=C([C@H]1CCCCS1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826398804 899679431 /nfs/dbraw/zinc/67/94/31/899679431.db2.gz GILRGYRPIXNHAS-GOSISDBHSA-N -1 3 379.489 3.686 20 0 GHADHM O=C([C@H]1CCCCS1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826398804 899679436 /nfs/dbraw/zinc/67/94/36/899679436.db2.gz GILRGYRPIXNHAS-GOSISDBHSA-N -1 3 379.489 3.686 20 0 GHADHM C[C@H]1CC(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)C[C@H](C)O1 ZINC000332622472 899806773 /nfs/dbraw/zinc/80/67/73/899806773.db2.gz CRMUEWLILOVYTG-UWVGGRQHSA-N -1 3 396.260 3.542 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826404355 899832264 /nfs/dbraw/zinc/83/22/64/899832264.db2.gz XEGAGDUCWMQUBZ-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868190 899876951 /nfs/dbraw/zinc/87/69/51/899876951.db2.gz TWNMAUHOHFQFQG-DJJJIMSYSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868190 899876957 /nfs/dbraw/zinc/87/69/57/899876957.db2.gz TWNMAUHOHFQFQG-DJJJIMSYSA-N -1 3 392.415 3.570 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000825044032 899949551 /nfs/dbraw/zinc/94/95/51/899949551.db2.gz MNPDBXSBFDAHAE-AWEZNQCLSA-N -1 3 381.933 3.942 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000825044032 899949559 /nfs/dbraw/zinc/94/95/59/899949559.db2.gz MNPDBXSBFDAHAE-AWEZNQCLSA-N -1 3 381.933 3.942 20 0 GHADHM CC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825066223 899960840 /nfs/dbraw/zinc/96/08/40/899960840.db2.gz AFLQNEMOQXFPLQ-HUUCEWRRSA-N -1 3 399.520 3.560 20 0 GHADHM CC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825066223 899960853 /nfs/dbraw/zinc/96/08/53/899960853.db2.gz AFLQNEMOQXFPLQ-HUUCEWRRSA-N -1 3 399.520 3.560 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1SC(F)(F)F ZINC000825298644 900078676 /nfs/dbraw/zinc/07/86/76/900078676.db2.gz WWMACTKJORWKMP-UHFFFAOYSA-N -1 3 383.395 3.992 20 0 GHADHM CC(C)OC1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000825368474 900128894 /nfs/dbraw/zinc/12/88/94/900128894.db2.gz BKEDLNXKELLJGZ-AWEZNQCLSA-N -1 3 398.425 3.533 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC001143625360 900270507 /nfs/dbraw/zinc/27/05/07/900270507.db2.gz NBRMYOCADXDNMW-QGZVFWFLSA-N -1 3 398.459 3.891 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1[O-] ZINC000843885788 900287605 /nfs/dbraw/zinc/28/76/05/900287605.db2.gz JVVALDBTOLVGNI-INIZCTEOSA-N -1 3 380.444 3.512 20 0 GHADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572837624 900288604 /nfs/dbraw/zinc/28/86/04/900288604.db2.gz LFFDBXAUIXMCHK-FUHWJXTLSA-N -1 3 377.282 3.845 20 0 GHADHM C[C@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC(C)(C)C ZINC001143652013 900288719 /nfs/dbraw/zinc/28/87/19/900288719.db2.gz HIPUQYIFRIKBJD-MRXNPFEDSA-N -1 3 383.488 3.885 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000826441043 900425147 /nfs/dbraw/zinc/42/51/47/900425147.db2.gz LETVYYXIRIAYAS-HNNXBMFYSA-N -1 3 398.417 3.521 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000826441043 900425153 /nfs/dbraw/zinc/42/51/53/900425153.db2.gz LETVYYXIRIAYAS-HNNXBMFYSA-N -1 3 398.417 3.521 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1nnc2ccccc2c1[O-] ZINC000844008545 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CC(=O)c1cc(C(=O)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)ccc1[O-] ZINC001148662360 904162235 /nfs/dbraw/zinc/16/22/35/904162235.db2.gz KFUISNJUSLSNOT-CVDCTZTESA-N -1 3 379.456 3.774 20 0 GHADHM CC(=O)c1cc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)nc2C)ccc1[O-] ZINC001148668641 904165445 /nfs/dbraw/zinc/16/54/45/904165445.db2.gz FYMOJGZLXRPPOI-UHFFFAOYSA-N -1 3 399.447 3.575 20 0 GHADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1ccc(Cl)cc1C(F)(F)F ZINC000578845264 904173445 /nfs/dbraw/zinc/17/34/45/904173445.db2.gz PBVSDYIIXZOACX-UHFFFAOYSA-N -1 3 380.775 3.703 20 0 GHADHM CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001186771862 914795501 /nfs/dbraw/zinc/79/55/01/914795501.db2.gz USCZBFZYEIUYNY-UHFFFAOYSA-N -1 3 387.423 3.759 20 0 GHADHM CN1CCN(c2ccc(F)cc2NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001148800335 904212902 /nfs/dbraw/zinc/21/29/02/904212902.db2.gz DQLCIQXEWHTNGI-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM O=C(Cc1nc(NC(=O)c2ccc(-c3ccc(O)cc3)cc2)n[n-]1)c1ccccc1 ZINC001148877730 904224507 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C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000188211269 904892031 /nfs/dbraw/zinc/89/20/31/904892031.db2.gz XHUYXFTWWWZWQW-LBPRGKRZSA-N -1 3 381.436 3.796 20 0 GHADHM CCCNC(=O)c1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188224807 904893771 /nfs/dbraw/zinc/89/37/71/904893771.db2.gz YNBQFPONSKQKME-UVTDQMKNSA-N -1 3 383.835 3.731 20 0 GHADHM CCCc1nc(C)c(NC(=O)c2cnc3cc(OC)cc(OC)c3c2[O-])s1 ZINC000626514877 905085993 /nfs/dbraw/zinc/08/59/93/905085993.db2.gz OHHJRJIEAKAZFP-UHFFFAOYSA-N -1 3 387.461 3.515 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000173649338 905086119 /nfs/dbraw/zinc/08/61/19/905086119.db2.gz GRJNVQJTTUCFNJ-JOCHJYFZSA-N -1 3 382.508 3.502 20 0 GHADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189515498 905128299 /nfs/dbraw/zinc/12/82/99/905128299.db2.gz XGUBLHXLSDPEFU-UHFFFAOYSA-N -1 3 387.852 3.633 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000901466842 921135773 /nfs/dbraw/zinc/13/57/73/921135773.db2.gz CGCMJQYGTMQAKL-GOSISDBHSA-N -1 3 392.297 3.772 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000175035968 905428636 /nfs/dbraw/zinc/42/86/36/905428636.db2.gz BLRSGHJCRRJBTC-UHFFFAOYSA-N -1 3 392.912 3.696 20 0 GHADHM Cc1ncsc1-c1ccc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)cc1 ZINC001212652647 905481640 /nfs/dbraw/zinc/48/16/40/905481640.db2.gz ADMSFFXGNYUISL-UHFFFAOYSA-N -1 3 378.339 3.972 20 0 GHADHM Cc1ncsc1-c1ccc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)cc1 ZINC001212652647 905481652 /nfs/dbraw/zinc/48/16/52/905481652.db2.gz ADMSFFXGNYUISL-UHFFFAOYSA-N -1 3 378.339 3.972 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC2 ZINC000901500980 921177316 /nfs/dbraw/zinc/17/73/16/921177316.db2.gz KFHRWBRBDFEZKV-OAHLLOKOSA-N -1 3 379.382 3.782 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000901502729 921178339 /nfs/dbraw/zinc/17/83/39/921178339.db2.gz WRMCDHXTULAUIP-SFHVURJKSA-N -1 3 387.911 3.888 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000628072123 905925263 /nfs/dbraw/zinc/92/52/63/905925263.db2.gz CIZZJVHDJDUYHY-INIZCTEOSA-N -1 3 392.249 3.742 20 0 GHADHM CCc1cc2c(CN3CCC(Oc4ccc(F)nc4)CC3)cc(=O)oc2cc1[O-] ZINC000190495490 906075815 /nfs/dbraw/zinc/07/58/15/906075815.db2.gz UEEFYYIAVIBRLW-UHFFFAOYSA-N -1 3 398.434 3.639 20 0 GHADHM [O-]c1cncc(-c2nc(-c3cc(Cl)ccc3I)no2)c1 ZINC001212710001 906250716 /nfs/dbraw/zinc/25/07/16/906250716.db2.gz ZVLGGMOXRYVUPY-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000628739151 906283775 /nfs/dbraw/zinc/28/37/75/906283775.db2.gz XIDXAOCBFZVTBR-OAQYLSRUSA-N -1 3 383.469 3.754 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1nc2ccccc2n1C(F)F ZINC000629216814 906598227 /nfs/dbraw/zinc/59/82/27/906598227.db2.gz MANNZEKANMMFIH-MRVPVSSYSA-N -1 3 376.392 3.667 20 0 GHADHM Cc1cccc(C)c1Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1[O-] ZINC001173875019 906725847 /nfs/dbraw/zinc/72/58/47/906725847.db2.gz JLIPHLPSUJEVNI-UHFFFAOYSA-N -1 3 384.457 3.873 20 0 GHADHM O=C([O-])CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000181578724 907029472 /nfs/dbraw/zinc/02/94/72/907029472.db2.gz CJJIBQHOJCPICL-UHFFFAOYSA-N -1 3 388.458 3.927 20 0 GHADHM O=C(OCCc1ccoc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000777384360 907225579 /nfs/dbraw/zinc/22/55/79/907225579.db2.gz GUHZHMDMWDLZAY-UHFFFAOYSA-N -1 3 389.404 3.619 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000182633172 907243249 /nfs/dbraw/zinc/24/32/49/907243249.db2.gz ATADYKXVOVIKJY-MRXNPFEDSA-N -1 3 390.505 3.797 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cccc(O[C@@H]3CCCCO3)c2)cc1Cl ZINC001175185761 907426458 /nfs/dbraw/zinc/42/64/58/907426458.db2.gz JMDBLEVBKUNBKP-QGZVFWFLSA-N -1 3 382.869 3.628 20 0 GHADHM Cc1ccnc([C@@H]2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2)c1 ZINC000631476062 907726638 /nfs/dbraw/zinc/72/66/38/907726638.db2.gz MSNFRDQFQAJDIQ-QGZVFWFLSA-N -1 3 389.459 3.882 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858919 908277449 /nfs/dbraw/zinc/27/74/49/908277449.db2.gz RUOXZOQKICAKKN-SFHVURJKSA-N -1 3 383.517 3.860 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCc3ccncc3)nc(=O)c2c1C ZINC000901622015 921407160 /nfs/dbraw/zinc/40/71/60/921407160.db2.gz AKJIUPHWEVGIKK-NSHDSACASA-N -1 3 389.502 3.859 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCc4c(O)cccc43)c2)n1 ZINC000190141218 908436974 /nfs/dbraw/zinc/43/69/74/908436974.db2.gz HKPWVDYEQILJTJ-IBGZPJMESA-N -1 3 389.455 3.764 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1(Cc2cccnc2)CCOCC1 ZINC001177202190 908446515 /nfs/dbraw/zinc/44/65/15/908446515.db2.gz FIGGFOLZLNCTRR-UHFFFAOYSA-N -1 3 391.265 3.528 20 0 GHADHM COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC001177202751 908446745 /nfs/dbraw/zinc/44/67/45/908446745.db2.gz CNEGRAIDPGWVQS-QPPBQGQZSA-N -1 3 393.483 3.735 20 0 GHADHM COc1cc(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)cc(OC)c1[O-] ZINC000366244823 921414707 /nfs/dbraw/zinc/41/47/07/921414707.db2.gz GISJWDVXPCTYMC-FQEVSTJZSA-N -1 3 378.428 3.632 20 0 GHADHM CCc1cccc(N2C(=O)C(=Cc3cc(Cl)c([O-])c(OC)c3)NC2=S)c1 ZINC000193712369 908649646 /nfs/dbraw/zinc/64/96/46/908649646.db2.gz OATXXIHKUCTJEE-DHDCSXOGSA-N -1 3 388.876 3.879 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001177627684 908680184 /nfs/dbraw/zinc/68/01/84/908680184.db2.gz LJKSZOOWSOJZOA-SNVBAGLBSA-N -1 3 396.672 3.618 20 0 GHADHM CCSc1nc(C)c([C@H](CC)C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001177648298 908700646 /nfs/dbraw/zinc/70/06/46/908700646.db2.gz AYTIHJSGLDFIHZ-ZDUSSCGKSA-N -1 3 392.550 3.747 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000634835672 908841353 /nfs/dbraw/zinc/84/13/53/908841353.db2.gz MFZSEANTKFAWMA-FGTMMUONSA-N -1 3 380.916 3.730 20 0 GHADHM COCCN(CCC(=O)[O-])Cc1ccc(Br)cc1SC(C)C ZINC000901663983 921448557 /nfs/dbraw/zinc/44/85/57/921448557.db2.gz OHKWMRHITSQIIQ-UHFFFAOYSA-N -1 3 390.343 3.873 20 0 GHADHM O=C(N[C@H](CO)CCc1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001178138619 908902533 /nfs/dbraw/zinc/90/25/33/908902533.db2.gz XBAUKTBAICWKGI-QFIPXVFZSA-N -1 3 389.495 3.901 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000266306522 909070573 /nfs/dbraw/zinc/07/05/73/909070573.db2.gz LQFVNTFGPGSQOK-VFNWGFHPSA-N -1 3 388.471 3.705 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)[n-]n1 ZINC001179075670 909374744 /nfs/dbraw/zinc/37/47/44/909374744.db2.gz FTGMZWZQLSZEIQ-GFCCVEGCSA-N -1 3 380.448 3.833 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)n[n-]1 ZINC001179075670 909374761 /nfs/dbraw/zinc/37/47/61/909374761.db2.gz FTGMZWZQLSZEIQ-GFCCVEGCSA-N -1 3 380.448 3.833 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)Nc3ncccc3[O-])C2)CC1 ZINC001179233544 909430622 /nfs/dbraw/zinc/43/06/22/909430622.db2.gz HQNQEWLHNYVGCY-AWEZNQCLSA-N -1 3 375.469 3.543 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000636113104 909432797 /nfs/dbraw/zinc/43/27/97/909432797.db2.gz CQJXWELNACYRNQ-UHFFFAOYSA-N -1 3 383.492 3.848 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000636115491 909437889 /nfs/dbraw/zinc/43/78/89/909437889.db2.gz QTHUVUITALCQFP-UONOGXRCSA-N -1 3 380.275 3.952 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318361 909536348 /nfs/dbraw/zinc/53/63/48/909536348.db2.gz SPGUAMXCCBEZSR-UHFFFAOYSA-N -1 3 386.502 3.873 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318922 909538076 /nfs/dbraw/zinc/53/80/76/909538076.db2.gz DZPDQWCWOHGOJJ-GFCCVEGCSA-N -1 3 375.469 3.633 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000636319579 909539965 /nfs/dbraw/zinc/53/99/65/909539965.db2.gz SHYLDPFOHPUZHF-UHFFFAOYSA-N -1 3 392.434 3.944 20 0 GHADHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(C)c1Br ZINC000636321482 909544022 /nfs/dbraw/zinc/54/40/22/909544022.db2.gz SQJGXNPKBNKLEE-UHFFFAOYSA-N -1 3 390.281 3.759 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000267625351 909568208 /nfs/dbraw/zinc/56/82/08/909568208.db2.gz MIEUWPFLKLLRSL-MRVPVSSYSA-N -1 3 381.306 3.636 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000636657984 909619115 /nfs/dbraw/zinc/61/91/15/909619115.db2.gz LFNSOLGJERSGBJ-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000636657984 909619118 /nfs/dbraw/zinc/61/91/18/909619118.db2.gz LFNSOLGJERSGBJ-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM C[C@@H](COCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1 ZINC001179954010 909863957 /nfs/dbraw/zinc/86/39/57/909863957.db2.gz ABMSDTFMQFYPHY-INIZCTEOSA-N -1 3 393.443 3.526 20 0 GHADHM C[C@@H](COCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1 ZINC001179954010 909863968 /nfs/dbraw/zinc/86/39/68/909863968.db2.gz ABMSDTFMQFYPHY-INIZCTEOSA-N -1 3 393.443 3.526 20 0 GHADHM C[C@@H]1[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)[C@H]1c1ccccc1 ZINC001179954075 909864479 /nfs/dbraw/zinc/86/44/79/909864479.db2.gz CQJPPLCFIHHYSN-KPOBHBOGSA-N -1 3 375.428 3.755 20 0 GHADHM C[C@@H]1[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)[C@H]1c1ccccc1 ZINC001179954075 909864490 /nfs/dbraw/zinc/86/44/90/909864490.db2.gz CQJPPLCFIHHYSN-KPOBHBOGSA-N -1 3 375.428 3.755 20 0 GHADHM CC(C)c1c([N-]S(=O)(=O)C[C@H]2CCCOC2)cnn1-c1ccc(Cl)cc1 ZINC000795354823 910040703 /nfs/dbraw/zinc/04/07/03/910040703.db2.gz UPVJGCVJHVILMF-AWEZNQCLSA-N -1 3 397.928 3.817 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000299666278 921564284 /nfs/dbraw/zinc/56/42/84/921564284.db2.gz IFUYTXNEAUKQBT-IBGZPJMESA-N -1 3 388.471 3.501 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001180714014 910297146 /nfs/dbraw/zinc/29/71/46/910297146.db2.gz JHTGVMILHUJKAM-QGZVFWFLSA-N -1 3 388.439 3.948 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC001180843902 910375470 /nfs/dbraw/zinc/37/54/70/910375470.db2.gz QVRTXAWTZAPTGW-UHFFFAOYSA-N -1 3 394.431 3.612 20 0 GHADHM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000270704162 910669230 /nfs/dbraw/zinc/66/92/30/910669230.db2.gz YUFLOBCFLISYHS-UHFFFAOYSA-N -1 3 397.475 3.575 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)[n-]1 ZINC000640310931 910963644 /nfs/dbraw/zinc/96/36/44/910963644.db2.gz WOSBYGRGVAQXQG-CQSZACIVSA-N -1 3 381.249 3.503 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)[n-]1 ZINC000640319135 910967309 /nfs/dbraw/zinc/96/73/09/910967309.db2.gz WSXRRCHUUMMEJV-AWEZNQCLSA-N -1 3 377.286 3.610 20 0 GHADHM Cc1ccc(C2(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCCCC2)cc1 ZINC001181870941 911051553 /nfs/dbraw/zinc/05/15/53/911051553.db2.gz DIHKHLWVHWENBD-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM Cc1ccc(C2(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCCCC2)cc1 ZINC001181870941 911051582 /nfs/dbraw/zinc/05/15/82/911051582.db2.gz DIHKHLWVHWENBD-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCCCS2)no1 ZINC000273866873 911070771 /nfs/dbraw/zinc/07/07/71/911070771.db2.gz COPITUJJSDHMIT-MFKMUULPSA-N -1 3 387.914 3.721 20 0 GHADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000641893770 911573433 /nfs/dbraw/zinc/57/34/33/911573433.db2.gz KGNQMQAXOIQRQT-UHFFFAOYSA-N -1 3 394.460 3.598 20 0 GHADHM CCOC(=O)[C@H](NCc1cc(Cl)c([O-])c(OCC)c1)c1cccc(O)c1 ZINC000284147208 911769974 /nfs/dbraw/zinc/76/99/74/911769974.db2.gz QLEPTIRNBWIGNU-QGZVFWFLSA-N -1 3 379.840 3.544 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000642259912 911917771 /nfs/dbraw/zinc/91/77/71/911917771.db2.gz GACIWBRNQDDGRP-UHFFFAOYSA-N -1 3 391.362 3.708 20 0 GHADHM Cc1csc(C)c1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000901891097 921703616 /nfs/dbraw/zinc/70/36/16/921703616.db2.gz AZXBKDYMWAGQIR-NRFANRHFSA-N -1 3 377.940 3.698 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182711725 911994945 /nfs/dbraw/zinc/99/49/45/911994945.db2.gz JWPCKARLZGPOFV-JTQLQIEISA-N -1 3 386.249 3.775 20 0 GHADHM Cc1ccc(Sc2nsc(NC(=O)c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC001182853005 912079043 /nfs/dbraw/zinc/07/90/43/912079043.db2.gz NCSFGOAOILESMF-UHFFFAOYSA-N -1 3 387.442 3.684 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CSc3ccccc3Br)n[n-]2)o1 ZINC001182930790 912161632 /nfs/dbraw/zinc/16/16/32/912161632.db2.gz HPBFTVSQEGBYSU-UHFFFAOYSA-N -1 3 393.266 3.866 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1F)c1ccc(F)c(Br)c1 ZINC001186972898 914927321 /nfs/dbraw/zinc/92/73/21/914927321.db2.gz NWKGPVMSQGLCLY-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=C(Nc1cc(F)cc(OCc2ccccc2)c1)c1ccccc1-c1nnn[n-]1 ZINC001187006791 914935720 /nfs/dbraw/zinc/93/57/20/914935720.db2.gz JPWVPVVGVIFUPR-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1cc(F)cc(OCc2ccccc2)c1)c1ccccc1-c1nn[n-]n1 ZINC001187006791 914935731 /nfs/dbraw/zinc/93/57/31/914935731.db2.gz JPWVPVVGVIFUPR-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1ccccc1-c1nnn[n-]1 ZINC001187006957 914936537 /nfs/dbraw/zinc/93/65/37/914936537.db2.gz NCYHZTVRBXXLNO-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1ccccc1-c1nn[n-]n1 ZINC001187006957 914936552 /nfs/dbraw/zinc/93/65/52/914936552.db2.gz NCYHZTVRBXXLNO-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(O[C@@H](C)CC(C)C)c2)c1 ZINC001187011365 914940109 /nfs/dbraw/zinc/94/01/09/914940109.db2.gz CNKQCGCNWNESKN-AWEZNQCLSA-N -1 3 397.928 3.730 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H](O)CCCc2ccccc2)c([O-])c1 ZINC001187052327 914986384 /nfs/dbraw/zinc/98/63/84/914986384.db2.gz GSHNZKGCFQBQEU-GOSISDBHSA-N -1 3 385.460 3.670 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1ccc(Br)cc1F ZINC001187156263 915035943 /nfs/dbraw/zinc/03/59/43/915035943.db2.gz KCRWPLLVXZVRFZ-UHFFFAOYSA-N -1 3 398.253 3.855 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1)C1CCOCC1 ZINC000647122667 915038508 /nfs/dbraw/zinc/03/85/08/915038508.db2.gz RCPFSVZOWYPWCN-FQEVSTJZSA-N -1 3 391.489 3.662 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1Cl ZINC000647135028 915048940 /nfs/dbraw/zinc/04/89/40/915048940.db2.gz ZJYGIMMNQVCLAC-UHFFFAOYSA-N -1 3 387.860 3.922 20 0 GHADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1Cl)[N-]C(=O)c1cccs1 ZINC000775104516 915102546 /nfs/dbraw/zinc/10/25/46/915102546.db2.gz LBXVQBLSCHODSQ-UHFFFAOYSA-N -1 3 391.754 3.534 20 0 GHADHM COc1ccc([C@@H](O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000291365720 915134468 /nfs/dbraw/zinc/13/44/68/915134468.db2.gz XOXQNLRVSFFFJN-LJQANCHMSA-N -1 3 375.852 3.640 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Cl)c2)cc1F ZINC001187384146 915243548 /nfs/dbraw/zinc/24/35/48/915243548.db2.gz ITGCKOSDFQWDAY-LLVKDONJSA-N -1 3 375.824 3.672 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C)cc3)C2)sc1Cl ZINC001187434345 915291312 /nfs/dbraw/zinc/29/13/12/915291312.db2.gz WDKAYRRVNIQQIH-CQSZACIVSA-N -1 3 384.954 3.966 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1ncc(Cl)nc1Cl ZINC001187614179 915382837 /nfs/dbraw/zinc/38/28/37/915382837.db2.gz DZIJTRMWWDZHQR-UHFFFAOYSA-N -1 3 382.272 3.921 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1csnc1-c1ccccc1 ZINC000647905210 915432265 /nfs/dbraw/zinc/43/22/65/915432265.db2.gz IRBLYVPXXBPIHU-HNNXBMFYSA-N -1 3 390.461 3.751 20 0 GHADHM CCOC(=O)c1nc(Cl)nc(Cl)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC001187710018 915468242 /nfs/dbraw/zinc/46/82/42/915468242.db2.gz DWNPQAINBCPOIS-UHFFFAOYSA-N -1 3 398.124 3.824 20 0 GHADHM O=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000097444851 915551349 /nfs/dbraw/zinc/55/13/49/915551349.db2.gz CDONVUJRBPNXAF-UHFFFAOYSA-N -1 3 375.428 3.535 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000292250540 915582262 /nfs/dbraw/zinc/58/22/62/915582262.db2.gz SHWNPRJVMDWLOR-BBEGDGIKSA-N -1 3 396.468 3.659 20 0 GHADHM Cc1cccc(C)c1OC[C@@H]([N-]S(=O)(=O)c1ccns1)c1ccccc1 ZINC001187990470 915668825 /nfs/dbraw/zinc/66/88/25/915668825.db2.gz PELKWHJCPCGAHO-QGZVFWFLSA-N -1 3 388.514 3.859 20 0 GHADHM CCOc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])ccc1OC(F)F ZINC000901987623 921793640 /nfs/dbraw/zinc/79/36/40/921793640.db2.gz CSYHHZDYMAUOQG-SFHVURJKSA-N -1 3 377.387 3.871 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188098435 915756174 /nfs/dbraw/zinc/75/61/74/915756174.db2.gz YIINGBFSCLZWOA-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC001188205356 915828619 /nfs/dbraw/zinc/82/86/19/915828619.db2.gz UHBHBRNAKVHTMX-INIZCTEOSA-N -1 3 389.945 3.558 20 0 GHADHM O=S(=O)([N-]CCCc1cccs1)c1ccc(C(F)(F)F)nc1Cl ZINC001188254536 915857119 /nfs/dbraw/zinc/85/71/19/915857119.db2.gz METYCZJDVCMYAU-UHFFFAOYSA-N -1 3 384.832 3.726 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188446643 915971128 /nfs/dbraw/zinc/97/11/28/915971128.db2.gz YRYKMQXNLOQHDZ-UHFFFAOYSA-N -1 3 394.431 3.874 20 0 GHADHM CC[C@H](C)N1CC[C@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686873 916005036 /nfs/dbraw/zinc/00/50/36/916005036.db2.gz RUVKXDFTZDIFGL-VBKZILBWSA-N -1 3 378.900 3.689 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)c1 ZINC000098041958 916100777 /nfs/dbraw/zinc/10/07/77/916100777.db2.gz VYRYJJZHWLKATO-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001188968542 916315444 /nfs/dbraw/zinc/31/54/44/916315444.db2.gz MVMCCDICZRAEIB-MNOVXSKESA-N -1 3 396.372 3.689 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c(F)c1 ZINC001189009411 916337337 /nfs/dbraw/zinc/33/73/37/916337337.db2.gz HTOQXGKJOMABHK-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1OCCc2sccc21 ZINC000293714485 916342292 /nfs/dbraw/zinc/34/22/92/916342292.db2.gz NVQFYBXJSROKCT-QLJPJBMISA-N -1 3 396.306 3.783 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000293723246 916348098 /nfs/dbraw/zinc/34/80/98/916348098.db2.gz KBSCVLIEBIPQEU-SFHVURJKSA-N -1 3 383.448 3.592 20 0 GHADHM C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000293773249 916374954 /nfs/dbraw/zinc/37/49/54/916374954.db2.gz YOMPSCUPGYKYKO-AWEZNQCLSA-N -1 3 387.480 3.754 20 0 GHADHM Cc1noc([N-]C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(N)=O ZINC001189421286 916624186 /nfs/dbraw/zinc/62/41/86/916624186.db2.gz BPIQCXIHIGCLET-UHFFFAOYSA-N -1 3 396.247 3.764 20 0 GHADHM COC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189394202 916634810 /nfs/dbraw/zinc/63/48/10/916634810.db2.gz MOINCGGMDSCGJC-UHFFFAOYSA-N -1 3 391.395 3.634 20 0 GHADHM CO[C@@H](C)c1nc(CN2CCCN(Cc3c(F)ccc([O-])c3F)CC2)cs1 ZINC000294250766 916680903 /nfs/dbraw/zinc/68/09/03/916680903.db2.gz NIWYCCOVMVSTHP-ZDUSSCGKSA-N -1 3 397.491 3.542 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)c(-c2ccccc2)s1 ZINC001189515319 916695941 /nfs/dbraw/zinc/69/59/41/916695941.db2.gz KCOKSLZWXDESRB-SJORKVTESA-N -1 3 394.562 3.991 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)nc(Cl)nc2Cl)c1 ZINC001189576722 916752759 /nfs/dbraw/zinc/75/27/59/916752759.db2.gz DSAUELXSFQRPQU-UHFFFAOYSA-N -1 3 382.656 3.555 20 0 GHADHM CCc1c([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)cnn1CC(C)C ZINC000775288552 916859024 /nfs/dbraw/zinc/85/90/24/916859024.db2.gz VPKVRIFDWVJIRE-UHFFFAOYSA-N -1 3 375.494 3.667 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(C(C)=O)c4ccccc43)nc2)n1 ZINC000361787240 916910548 /nfs/dbraw/zinc/91/05/48/916910548.db2.gz IDTXOZRTJGSPDH-GOSISDBHSA-N -1 3 389.459 3.716 20 0 GHADHM O=c1[n-]c(SCc2ccnc(Cl)c2)nc2c1cnn2Cc1ccccc1 ZINC001189788843 916923116 /nfs/dbraw/zinc/92/31/16/916923116.db2.gz PBYLDBKBVVADDE-UHFFFAOYSA-N -1 3 383.864 3.921 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(F)cc(Br)c1 ZINC001189813694 916939664 /nfs/dbraw/zinc/93/96/64/916939664.db2.gz DMBWRZAPGXESKS-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189827339 916952178 /nfs/dbraw/zinc/95/21/78/916952178.db2.gz MWPLJDZMFZFNCZ-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H](c2ccccc2)C1)c1cccc(Br)n1 ZINC001190025360 917063130 /nfs/dbraw/zinc/06/31/30/917063130.db2.gz RKCMYIMDPBDYDY-HUUCEWRRSA-N -1 3 395.322 3.849 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccccc1-c1c(C)n[nH]c1C ZINC001190165194 917164873 /nfs/dbraw/zinc/16/48/73/917164873.db2.gz DXMCCBJFOZUMJQ-UHFFFAOYSA-N -1 3 383.379 3.577 20 0 GHADHM O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001190270720 917223544 /nfs/dbraw/zinc/22/35/44/917223544.db2.gz OOGNOZLPFUOAPG-UHFFFAOYSA-N -1 3 399.454 3.745 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ccncc21)c1cc(C(F)(F)F)ccc1F ZINC001190340387 917271784 /nfs/dbraw/zinc/27/17/84/917271784.db2.gz SUXBWMJGAYEFEH-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(F)ccc1C ZINC001190600429 917441207 /nfs/dbraw/zinc/44/12/07/917441207.db2.gz DRKZEJYGBGBWMM-NSHDSACASA-N -1 3 385.844 3.614 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccn1 ZINC001190601435 917441346 /nfs/dbraw/zinc/44/13/46/917441346.db2.gz ZXTIETWJDNJWNZ-MRXNPFEDSA-N -1 3 396.896 3.587 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc(Cc3cccc(F)c3)o2)no1 ZINC000362966944 917567023 /nfs/dbraw/zinc/56/70/23/917567023.db2.gz KHHGSLHVQKORRW-UHFFFAOYSA-N -1 3 384.392 3.847 20 0 GHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC001190909846 917658688 /nfs/dbraw/zinc/65/86/88/917658688.db2.gz MAUNKIZIHAHHKU-UHFFFAOYSA-N -1 3 375.787 3.741 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000651584100 917668835 /nfs/dbraw/zinc/66/88/35/917668835.db2.gz BBQMYJRCHMJOPY-LBPRGKRZSA-N -1 3 383.901 3.951 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000651612464 917677737 /nfs/dbraw/zinc/67/77/37/917677737.db2.gz PYRSUBSDAQLAQA-UHFFFAOYSA-N -1 3 396.372 3.834 20 0 GHADHM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000295974953 917688532 /nfs/dbraw/zinc/68/85/32/917688532.db2.gz IJOTWZPFKAMKDY-UHFFFAOYSA-N -1 3 392.175 3.783 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1(CO)CCCC1 ZINC001191092749 917779114 /nfs/dbraw/zinc/77/91/14/917779114.db2.gz IYAVXAMOPLRUBN-HNNXBMFYSA-N -1 3 380.337 3.849 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cccc(Oc3ccccc3)n2)n[n-]1)c1ccccc1 ZINC001191135130 917805003 /nfs/dbraw/zinc/80/50/03/917805003.db2.gz FURAZQUCDXWDMK-UHFFFAOYSA-N -1 3 399.410 3.670 20 0 GHADHM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Br)cn1 ZINC000796499230 917848845 /nfs/dbraw/zinc/84/88/45/917848845.db2.gz TZWWVGUBQMHEQG-SNVBAGLBSA-N -1 3 375.222 3.507 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(C)cc2)s1 ZINC001191704075 918129247 /nfs/dbraw/zinc/12/92/47/918129247.db2.gz UALDDWBUFOVVMK-GXTWGEPZSA-N -1 3 386.336 3.962 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CC=CC2)c(F)cc1F ZINC001191693048 918159205 /nfs/dbraw/zinc/15/92/05/918159205.db2.gz NISPELNILYWSES-IBGZPJMESA-N -1 3 393.455 3.622 20 0 GHADHM O=C([O-])[C@H](CNCc1csc(-c2ccc3c(c2)OCO3)n1)CC1CCCC1 ZINC000900083520 919821334 /nfs/dbraw/zinc/82/13/34/919821334.db2.gz ISODNWIGCQOFTK-HNNXBMFYSA-N -1 3 388.489 3.910 20 0 GHADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000800482023 920166661 /nfs/dbraw/zinc/16/66/61/920166661.db2.gz MSAIWTFPHFKEGV-UHFFFAOYSA-N -1 3 396.403 3.938 20 0 GHADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000800482023 920166679 /nfs/dbraw/zinc/16/66/79/920166679.db2.gz MSAIWTFPHFKEGV-UHFFFAOYSA-N -1 3 396.403 3.938 20 0 GHADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800482023 920166683 /nfs/dbraw/zinc/16/66/83/920166683.db2.gz MSAIWTFPHFKEGV-UHFFFAOYSA-N -1 3 396.403 3.938 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3[n-]nnc32)cc1)c1ccsc1 ZINC000800482360 920167902 /nfs/dbraw/zinc/16/79/02/920167902.db2.gz RLEWZQSSCZIOQI-UHFFFAOYSA-N -1 3 382.376 3.630 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3nn[n-]c32)cc1)c1ccsc1 ZINC000800482360 920167906 /nfs/dbraw/zinc/16/79/06/920167906.db2.gz RLEWZQSSCZIOQI-UHFFFAOYSA-N -1 3 382.376 3.630 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3n[n-]nc32)cc1)c1ccsc1 ZINC000800482360 920167908 /nfs/dbraw/zinc/16/79/08/920167908.db2.gz RLEWZQSSCZIOQI-UHFFFAOYSA-N -1 3 382.376 3.630 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3ccccc3F)nc(=O)c2c1C ZINC000298784822 920925272 /nfs/dbraw/zinc/92/52/72/920925272.db2.gz VGVHBUNJOLMPKS-NSHDSACASA-N -1 3 389.452 3.824 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3ccoc3)c2)n1 ZINC000365541058 920926301 /nfs/dbraw/zinc/92/63/01/920926301.db2.gz ZSSYIYQQZXITDT-UHFFFAOYSA-N -1 3 375.388 3.647 20 0 GHADHM Cc1nn(-c2ccccc2Br)cc1CN1CCC(CC(=O)[O-])CC1 ZINC000901419309 921090892 /nfs/dbraw/zinc/09/08/92/921090892.db2.gz YWUSBMSWVPJSIV-UHFFFAOYSA-N -1 3 392.297 3.630 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(/C=C/C(=O)[O-])o3)C2)cc1 ZINC000901429420 921098793 /nfs/dbraw/zinc/09/87/93/921098793.db2.gz PTNOZTLVHLPXNR-SXSDINLZSA-N -1 3 397.475 3.720 20 0 GHADHM COCCOC1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC000901431404 921099935 /nfs/dbraw/zinc/09/99/35/921099935.db2.gz MLLNLZYSISRVKK-UHFFFAOYSA-N -1 3 399.487 3.591 20 0 GHADHM C[C@@H]1CCN(Cc2cc(OC(F)F)ccc2Br)[C@@H](C(=O)[O-])C1 ZINC000902013697 921815766 /nfs/dbraw/zinc/81/57/66/921815766.db2.gz XWSZZHLRHQMJOA-NOZJJQNGSA-N -1 3 378.213 3.736 20 0 GHADHM O=C([O-])c1cccc2c(CNCc3cccc(NC(=O)C4CCC4)c3)ccnc12 ZINC000902102554 921879317 /nfs/dbraw/zinc/87/93/17/921879317.db2.gz YEBFXEXDDAMSGE-UHFFFAOYSA-N -1 3 389.455 3.961 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CNCCN3CCc4ccccc4C3)o2)cc1 ZINC000902110605 921884197 /nfs/dbraw/zinc/88/41/97/921884197.db2.gz HHMMHRRBLYWAGX-UHFFFAOYSA-N -1 3 376.456 3.793 20 0 GHADHM c1nc(C[N-]c2nc([C@H]3CCCc4ccccc43)no2)sc1C1OCCO1 ZINC000902149855 921926527 /nfs/dbraw/zinc/92/65/27/921926527.db2.gz SWNJNGYIYURDTA-AWEZNQCLSA-N -1 3 384.461 3.652 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)CCCOc1cccc(Cl)c1 ZINC000902152819 921932095 /nfs/dbraw/zinc/93/20/95/921932095.db2.gz UJFWBCDDWIDMHP-UHFFFAOYSA-N -1 3 379.888 3.529 20 0 GHADHM O=C([O-])c1occc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000902175446 921953587 /nfs/dbraw/zinc/95/35/87/921953587.db2.gz GDHRJTGROZBWNE-UHFFFAOYSA-N -1 3 380.238 3.536 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CNCCOc1ccccc1-c1ccccc1 ZINC000902188684 921968743 /nfs/dbraw/zinc/96/87/43/921968743.db2.gz DHYYIHHZQAAREB-UHFFFAOYSA-N -1 3 393.487 3.810 20 0 GHADHM CCN(CC)C(=O)C1CCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC000902191879 921971221 /nfs/dbraw/zinc/97/12/21/921971221.db2.gz QHVOVQMNFLVAGI-UHFFFAOYSA-N -1 3 384.476 3.725 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000802322937 922020506 /nfs/dbraw/zinc/02/05/06/922020506.db2.gz DUOGKXTWLHOTOB-QFIPXVFZSA-N -1 3 388.508 3.818 20 0 GHADHM Cn1cc([C@H](NCc2ccc(C(=O)[O-])c(Br)c2)C(C)(C)C)cn1 ZINC000902397796 922160773 /nfs/dbraw/zinc/16/07/73/922160773.db2.gz XFJCFPONFRZMSR-HNNXBMFYSA-N -1 3 380.286 3.758 20 0 GHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000902425959 922184676 /nfs/dbraw/zinc/18/46/76/922184676.db2.gz RMNHDKWQVHBJNM-LJZMDLFKSA-N -1 3 385.407 3.992 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1)C(=O)[O-] ZINC000902506599 922246973 /nfs/dbraw/zinc/24/69/73/922246973.db2.gz RSQXBQCEUCNCMB-UZLBHIALSA-N -1 3 397.471 3.701 20 0 GHADHM C[C@H](Oc1ccc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1)C(=O)[O-] ZINC000902506586 922247567 /nfs/dbraw/zinc/24/75/67/922247567.db2.gz RSQXBQCEUCNCMB-JXFKEZNVSA-N -1 3 397.471 3.701 20 0 GHADHM C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1CC(=O)[O-] ZINC000902559658 922287394 /nfs/dbraw/zinc/28/73/94/922287394.db2.gz JRYPHLGNUXTMAD-MWLCHTKSSA-N -1 3 378.213 3.593 20 0 GHADHM Cc1nc(CC[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000902792100 922501486 /nfs/dbraw/zinc/50/14/86/922501486.db2.gz IBVSAEWZDOQWAB-UHFFFAOYSA-N -1 3 399.772 3.969 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@H](C)c1ccc(Cl)c(Cl)c1)C[C@H]2C(=O)[O-] ZINC000903415632 923000083 /nfs/dbraw/zinc/00/00/83/923000083.db2.gz LJRCHXRUZXEHLL-PVORYYOJSA-N -1 3 386.275 3.640 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1ccc(Cl)c(Cl)c1)C[C@@H]2C(=O)[O-] ZINC000903415628 923000330 /nfs/dbraw/zinc/00/03/30/923000330.db2.gz LJRCHXRUZXEHLL-DTKBTKBISA-N -1 3 386.275 3.640 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1cc(Cl)ccc1Cl)C[C@@H]2C(=O)[O-] ZINC000903416707 923002120 /nfs/dbraw/zinc/00/21/20/923002120.db2.gz RPEBWNKEHWUJOK-NGAQCCCMSA-N -1 3 386.275 3.640 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2Cc3ccccc3OC3(CCC3)C2)cc1 ZINC000903628266 923137650 /nfs/dbraw/zinc/13/76/50/923137650.db2.gz WTCFUDXKQXRLCW-DHZHZOJOSA-N -1 3 379.456 3.981 20 0 GHADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903632173 923141957 /nfs/dbraw/zinc/14/19/57/923141957.db2.gz VAUMEGNMWIWWDO-KRWDZBQOSA-N -1 3 398.356 3.909 20 0 GHADHM O=C([O-])[C@H](c1ccsc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903632200 923142003 /nfs/dbraw/zinc/14/20/03/923142003.db2.gz VKNQOLRLCXBZKE-HNNXBMFYSA-N -1 3 386.395 3.831 20 0 GHADHM O=C(C1CC1)N1CCc2ccc(S(=O)(=O)[N-]c3cscc3Cl)cc21 ZINC000903649384 923155016 /nfs/dbraw/zinc/15/50/16/923155016.db2.gz XPKWBUUQSJAMOY-UHFFFAOYSA-N -1 3 382.894 3.501 20 0 GHADHM O=S(=O)([N-]c1c(Br)cnn1C1CC1)c1cc(F)ccc1Cl ZINC000903673432 923182706 /nfs/dbraw/zinc/18/27/06/923182706.db2.gz RRPQSBZXBJKTBT-UHFFFAOYSA-N -1 3 394.653 3.574 20 0 GHADHM O=C([O-])c1cncc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000903890348 923372423 /nfs/dbraw/zinc/37/24/23/923372423.db2.gz XVCIVLJPNXSFJS-HNNXBMFYSA-N -1 3 398.850 3.863 20 0 GHADHM O=C([O-])[C@H](CCc1ccccc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000903898346 923377837 /nfs/dbraw/zinc/37/78/37/923377837.db2.gz PHEYWNLNODVSAM-OALUTQOASA-N -1 3 391.414 3.747 20 0 GHADHM O=C([O-])c1csc(CN2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC000903935476 923411021 /nfs/dbraw/zinc/41/10/21/923411021.db2.gz ZTRWWRGCHXWWSV-ZDUSSCGKSA-N -1 3 381.295 3.811 20 0 GHADHM CN(CC(F)F)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000748372405 923599333 /nfs/dbraw/zinc/59/93/33/923599333.db2.gz ZJDDIOSGVVPMFN-UHFFFAOYSA-N -1 3 390.430 3.986 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369873158 923699732 /nfs/dbraw/zinc/69/97/32/923699732.db2.gz REKWOKJKDBPNQB-JTQLQIEISA-N -1 3 390.802 3.795 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748640030 923766849 /nfs/dbraw/zinc/76/68/49/923766849.db2.gz LYLFIENMSYHFCA-UHFFFAOYSA-N -1 3 386.517 3.511 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2ccc(Oc3ccc(Cl)cc3)nc2)c(=O)[n-]1 ZINC000749089947 924016499 /nfs/dbraw/zinc/01/64/99/924016499.db2.gz LDRIAWQYSNDBPX-UHFFFAOYSA-N -1 3 399.834 3.926 20 0 GHADHM CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C(C)C ZINC000677211842 924285906 /nfs/dbraw/zinc/28/59/06/924285906.db2.gz BPLGNLKVVIUFBE-GOSISDBHSA-N -1 3 390.867 3.837 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnccc3Oc3ccccc3)nc21 ZINC000409995277 925212783 /nfs/dbraw/zinc/21/27/83/925212783.db2.gz FOBNEKRAWQLCPE-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1)c1ccc(C)o1 ZINC000410156055 925358079 /nfs/dbraw/zinc/35/80/79/925358079.db2.gz DOPQHXLBJOADAQ-MRXNPFEDSA-N -1 3 392.502 3.686 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1 ZINC000680320706 925441204 /nfs/dbraw/zinc/44/12/04/925441204.db2.gz FDKVTAZFVRMEEB-UHFFFAOYSA-N -1 3 385.427 3.655 20 0 GHADHM CCCCc1nc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(=O)OCC)[n-]1 ZINC000410753175 925815903 /nfs/dbraw/zinc/81/59/03/925815903.db2.gz JULVXLQOVXQZJG-UHFFFAOYSA-N -1 3 397.435 3.540 20 0 GHADHM COc1cc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)cc(Cl)c1[O-] ZINC000682387086 926094944 /nfs/dbraw/zinc/09/49/44/926094944.db2.gz SPDATHBAZYQNRF-AWEZNQCLSA-N -1 3 389.883 3.525 20 0 GHADHM O=C(Cc1ccc(Br)c(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000682490802 926136604 /nfs/dbraw/zinc/13/66/04/926136604.db2.gz DWTPDCLZXCEZHX-UHFFFAOYSA-N -1 3 381.617 3.662 20 0 GHADHM Cn1ccnc1C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000682507700 926146271 /nfs/dbraw/zinc/14/62/71/926146271.db2.gz BQLNZZTTXFJKDX-IBGZPJMESA-N -1 3 381.451 3.688 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)sc1Cl ZINC000682730249 926221842 /nfs/dbraw/zinc/22/18/42/926221842.db2.gz UZIUCSBPCFLXJX-CQSZACIVSA-N -1 3 381.910 3.626 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)nn1[C@@H](C)C1CC1 ZINC000683050234 926338494 /nfs/dbraw/zinc/33/84/94/926338494.db2.gz UIMXUBMPGBBJJB-LBPRGKRZSA-N -1 3 376.420 3.946 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nn1[C@@H](C)C1CC1 ZINC000683050234 926338505 /nfs/dbraw/zinc/33/85/05/926338505.db2.gz UIMXUBMPGBBJJB-LBPRGKRZSA-N -1 3 376.420 3.946 20 0 GHADHM Cc1ccc(SCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725819066 926457664 /nfs/dbraw/zinc/45/76/64/926457664.db2.gz ICUOJJXMDQILFZ-UHFFFAOYSA-N -1 3 377.318 3.767 20 0 GHADHM C[C@@H](CC(F)F)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000411823861 926817244 /nfs/dbraw/zinc/81/72/44/926817244.db2.gz OTRPPTJDCQDGQH-ZETCQYMHSA-N -1 3 376.176 3.630 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412049088 927046740 /nfs/dbraw/zinc/04/67/40/927046740.db2.gz XTQNIHLZQPLQLM-INIZCTEOSA-N -1 3 384.867 3.509 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000412209907 927211337 /nfs/dbraw/zinc/21/13/37/927211337.db2.gz GLGLMXJOJHYDGB-MJGOQNOKSA-N -1 3 390.842 3.563 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)cc1[O-] ZINC000412424660 927436298 /nfs/dbraw/zinc/43/62/98/927436298.db2.gz LWMHSDLKLSUQFC-MRXNPFEDSA-N -1 3 389.249 3.730 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(F)cc(N)cc3F)nc(=O)c2c1C ZINC000750355801 927575348 /nfs/dbraw/zinc/57/53/48/927575348.db2.gz RFZWQVISTYPCGY-ZETCQYMHSA-N -1 3 379.388 3.792 20 0 GHADHM COCC[C@H](Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)c1ccccc1 ZINC000412988188 928077915 /nfs/dbraw/zinc/07/79/15/928077915.db2.gz CVQLFUDOLJGNNF-HNNXBMFYSA-N -1 3 399.472 3.695 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)c1c(F)cccc1F ZINC000751464164 928204754 /nfs/dbraw/zinc/20/47/54/928204754.db2.gz BZLLSZCKICZQAW-BBRMVZONSA-N -1 3 393.814 3.548 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)c(C)c1 ZINC000466961713 928545288 /nfs/dbraw/zinc/54/52/88/928545288.db2.gz OCVZMHKPHGJACX-UHFFFAOYSA-N -1 3 397.338 3.928 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Br)cc2Br)n1 ZINC000544324722 929053826 /nfs/dbraw/zinc/05/38/26/929053826.db2.gz AHENVTOFIIEWLD-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cccc(Br)c1F ZINC000544370208 929099480 /nfs/dbraw/zinc/09/94/80/929099480.db2.gz DRVBFXZPMXJXJV-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000544378831 929108324 /nfs/dbraw/zinc/10/83/24/929108324.db2.gz IXSWUFRUSJFXRZ-RYUDHWBXSA-N -1 3 375.266 3.553 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1[O-] ZINC000753213757 929255021 /nfs/dbraw/zinc/25/50/21/929255021.db2.gz HQEGOPWBJINGSF-JQHSSLGASA-N -1 3 388.508 3.720 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCS1 ZINC000467775420 929399081 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CC(C)Oc1cccc([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000781669278 930932329 /nfs/dbraw/zinc/93/23/29/930932329.db2.gz FSDWSRUGFDRHGQ-ZDUSSCGKSA-N -1 3 395.452 3.902 20 0 GHADHM O=C(CSc1ccc(Cl)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782042214 931070560 /nfs/dbraw/zinc/07/05/60/931070560.db2.gz QSLKRYWEILTMHO-UHFFFAOYSA-N -1 3 376.821 3.931 20 0 GHADHM O=C(O[C@@H]1CCN(C2CCCCC2)C1=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085837 931189590 /nfs/dbraw/zinc/18/95/90/931189590.db2.gz UQQOPVSPPRFBSL-CQSZACIVSA-N -1 3 377.391 3.591 20 0 GHADHM Cc1nc(-c2ccc(N[C@@H](c3nccn3C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000557325280 931345216 /nfs/dbraw/zinc/34/52/16/931345216.db2.gz SERLVEIKYMYSES-LJQANCHMSA-N -1 3 386.459 3.796 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H]2CCCc3ccc(Br)cc32)c(=O)[n-]1 ZINC000782854653 931353685 /nfs/dbraw/zinc/35/36/85/931353685.db2.gz YECOXAHXZXKSHH-MRXNPFEDSA-N -1 3 391.265 3.725 20 0 GHADHM CN(C(=O)c1ccccc1NC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000187293561 931421693 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GHADHM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1cccnc1C(F)(F)F ZINC000557815694 931702244 /nfs/dbraw/zinc/70/22/44/931702244.db2.gz WGPBSRVVYFLSBU-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Cl ZINC000783946944 931727784 /nfs/dbraw/zinc/72/77/84/931727784.db2.gz XWUDGJISUHNEQT-UHFFFAOYSA-N -1 3 390.839 3.851 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC000777614133 932386772 /nfs/dbraw/zinc/38/67/72/932386772.db2.gz IKPNGYIVNDOVSQ-CYBMUJFWSA-N -1 3 378.450 3.843 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCC4(CCC4)O3)cc2)cc(=O)[n-]1 ZINC000927155318 932434825 /nfs/dbraw/zinc/43/48/25/932434825.db2.gz JXDTYOVQEPHCIX-KRWDZBQOSA-N -1 3 382.464 3.771 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(Cl)c(F)c3)cc2)n1 ZINC000559203046 932509196 /nfs/dbraw/zinc/50/91/96/932509196.db2.gz NQMQTAZKNFVROY-UHFFFAOYSA-N -1 3 387.798 3.555 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H](O)c1ccccn1 ZINC000798300688 932598952 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Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)n1[C@@H]1CCCOC1 ZINC000626359560 932914135 /nfs/dbraw/zinc/91/41/35/932914135.db2.gz IIXPIHWZVORQRH-QGZVFWFLSA-N -1 3 378.476 3.829 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000928353375 932937412 /nfs/dbraw/zinc/93/74/12/932937412.db2.gz HVLBLIBZMJBJBK-OAHLLOKOSA-N -1 3 379.229 3.595 20 0 GHADHM CC1(C)C[C@@H](OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c2ccccc2O1 ZINC000799713474 933098185 /nfs/dbraw/zinc/09/81/85/933098185.db2.gz SEWQIPHPHGOMJC-QGZVFWFLSA-N -1 3 393.436 3.656 20 0 GHADHM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799916467 933165373 /nfs/dbraw/zinc/16/53/73/933165373.db2.gz IPUDQWBERNJEAK-ZHACJKMWSA-N -1 3 390.465 3.518 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)COc3ccccc3F)cc2)cc(=O)[n-]1 ZINC001115896727 933235231 /nfs/dbraw/zinc/23/52/31/933235231.db2.gz IWTRHYMHPPDVEL-ZDUSSCGKSA-N -1 3 396.422 3.886 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001116098728 933333861 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20 0 GHADHM C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000561293203 934027246 /nfs/dbraw/zinc/02/72/46/934027246.db2.gz YOIOCFPEZKBABO-HNNXBMFYSA-N -1 3 399.520 3.648 20 0 GHADHM C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000561293203 934027253 /nfs/dbraw/zinc/02/72/53/934027253.db2.gz YOIOCFPEZKBABO-HNNXBMFYSA-N -1 3 399.520 3.648 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2occc21)c1c(F)cccc1OC(F)(F)F ZINC000561477489 934200884 /nfs/dbraw/zinc/20/08/84/934200884.db2.gz MYAMPWCQSKFQKZ-NSHDSACASA-N -1 3 379.331 3.673 20 0 GHADHM COc1c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cnn1-c1ccccc1 ZINC001118785738 934241432 /nfs/dbraw/zinc/24/14/32/934241432.db2.gz PMUNWJVIZKWIKQ-MDZDMXLPSA-N -1 3 393.428 3.748 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)sc1Cl)c1cccnc1C(F)(F)F ZINC000561537995 934253504 /nfs/dbraw/zinc/25/35/04/934253504.db2.gz HRZQOYQIQTVDQB-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000561547198 934259951 /nfs/dbraw/zinc/25/99/51/934259951.db2.gz IUEHIKPZVZFHMO-LLVKDONJSA-N -1 3 397.324 3.775 20 0 GHADHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc([O-])cc(Br)c2)n1 ZINC001118893103 934277283 /nfs/dbraw/zinc/27/72/83/934277283.db2.gz JCQVPVSLKDLOGB-HNNXBMFYSA-N -1 3 390.281 3.575 20 0 GHADHM CC1(C)CC[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000561627069 934320617 /nfs/dbraw/zinc/32/06/17/934320617.db2.gz OFXDPDGNXOXCMI-BEFAXECRSA-N -1 3 378.472 3.538 20 0 GHADHM O=C([O-])c1cncc(CN2CCC(c3ccc(Br)cc3)CC2)c1 ZINC001120265749 934453098 /nfs/dbraw/zinc/45/30/98/934453098.db2.gz PGEASDGDAXKMCY-UHFFFAOYSA-N -1 3 375.266 3.922 20 0 GHADHM O=C(N[C@H](CC(=O)N1CCC[C@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC001120829645 934522347 /nfs/dbraw/zinc/52/23/47/934522347.db2.gz NVLGWBMNVFBYJN-MSOLQXFVSA-N -1 3 388.414 3.510 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H](C)c3ccc4ccccc4c3)C2)n1 ZINC001123998539 935328048 /nfs/dbraw/zinc/32/80/48/935328048.db2.gz CTQFUSXNEOJNMJ-JXFKEZNVSA-N -1 3 390.487 3.533 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(N2CCCCCC2)cc1 ZINC000828210462 935594029 /nfs/dbraw/zinc/59/40/29/935594029.db2.gz SQUADCLBTJOXJK-UHFFFAOYSA-N -1 3 380.492 3.760 20 0 GHADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC001137704203 935733895 /nfs/dbraw/zinc/73/38/95/935733895.db2.gz WSLJYYZGTPWGKQ-UHFFFAOYSA-N -1 3 383.857 3.779 20 0 GHADHM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCN(C4CCCCC4)CC3)c2)o1 ZINC001137722846 935748804 /nfs/dbraw/zinc/74/88/04/935748804.db2.gz GJKZZHSCHLKIQC-UHFFFAOYSA-N -1 3 382.460 3.555 20 0 GHADHM COc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC000829680943 935844560 /nfs/dbraw/zinc/84/45/60/935844560.db2.gz JECPPWWBWKKLNC-UHFFFAOYSA-N -1 3 388.411 3.576 20 0 GHADHM CC(=O)OCCCc1cccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)c1 ZINC000829921624 935882422 /nfs/dbraw/zinc/88/24/22/935882422.db2.gz RQQWVZIXJJVEPV-UHFFFAOYSA-N -1 3 389.473 3.524 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC001573280141 946655482 /nfs/dbraw/zinc/65/54/82/946655482.db2.gz PKFSPVVYMYCNPT-OAHLLOKOSA-N -1 3 399.296 3.710 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC001573280141 946655484 /nfs/dbraw/zinc/65/54/84/946655484.db2.gz PKFSPVVYMYCNPT-OAHLLOKOSA-N -1 3 399.296 3.710 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C1(c2cccc(C)c2)CCCC1 ZINC001573553674 946889315 /nfs/dbraw/zinc/88/93/15/946889315.db2.gz ZIQMWSAWVMUTAJ-UHFFFAOYSA-N -1 3 389.459 3.828 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C1(c2cccc(C)c2)CCCC1 ZINC001573553674 946889329 /nfs/dbraw/zinc/88/93/29/946889329.db2.gz ZIQMWSAWVMUTAJ-UHFFFAOYSA-N -1 3 389.459 3.828 20 0 GHADHM CC(=CC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001573365977 947737407 /nfs/dbraw/zinc/73/74/07/947737407.db2.gz VNVKPQBOUBFSRK-RMKNXTFCSA-N -1 3 375.219 3.611 20 0 GHADHM CC(=CC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001573365977 947737415 /nfs/dbraw/zinc/73/74/15/947737415.db2.gz VNVKPQBOUBFSRK-RMKNXTFCSA-N -1 3 375.219 3.611 20 0 GHADHM CC(C)c1nsc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC001574440668 949034597 /nfs/dbraw/zinc/03/45/97/949034597.db2.gz BVLQJWUEAFRCGR-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1nsc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC001574440668 949034617 /nfs/dbraw/zinc/03/46/17/949034617.db2.gz BVLQJWUEAFRCGR-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575504576 949080949 /nfs/dbraw/zinc/08/09/49/949080949.db2.gz SPDOQHUTNMWWFP-JTQLQIEISA-N -1 3 393.344 3.858 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575504576 949080961 /nfs/dbraw/zinc/08/09/61/949080961.db2.gz SPDOQHUTNMWWFP-JTQLQIEISA-N -1 3 393.344 3.858 20 0 GHADHM C[C@H](CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)Cc1cccs1 ZINC001574965947 949830337 /nfs/dbraw/zinc/83/03/37/949830337.db2.gz PGRPCWLSVSXKCL-VIFPVBQESA-N -1 3 396.303 3.844 20 0 GHADHM C[C@H](CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)Cc1cccs1 ZINC001574965947 949830363 /nfs/dbraw/zinc/83/03/63/949830363.db2.gz PGRPCWLSVSXKCL-VIFPVBQESA-N -1 3 396.303 3.844 20 0 GHADHM CC(C)(C)C1CCC(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573824927 949858193 /nfs/dbraw/zinc/85/81/93/949858193.db2.gz HXUVMGHTOWOVGD-UHFFFAOYSA-N -1 3 388.491 3.658 20 0 GHADHM CC(C)(C)C1CCC(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573824927 949858207 /nfs/dbraw/zinc/85/82/07/949858207.db2.gz HXUVMGHTOWOVGD-UHFFFAOYSA-N -1 3 388.491 3.658 20 0 GHADHM C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001576214099 950662572 /nfs/dbraw/zinc/66/25/72/950662572.db2.gz NBFSCUOUQINZMX-INIZCTEOSA-N -1 3 390.491 3.594 20 0 GHADHM C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001576214099 950662590 /nfs/dbraw/zinc/66/25/90/950662590.db2.gz NBFSCUOUQINZMX-INIZCTEOSA-N -1 3 390.491 3.594 20 0 GHADHM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001573876585 950679428 /nfs/dbraw/zinc/67/94/28/950679428.db2.gz RISBWGTWWGLUTO-UHFFFAOYSA-N -1 3 399.882 3.670 20 0 GHADHM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001573876585 950679437 /nfs/dbraw/zinc/67/94/37/950679437.db2.gz RISBWGTWWGLUTO-UHFFFAOYSA-N -1 3 399.882 3.670 20 0 GHADHM CC1(C)CC(C)(C)c2cc(NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001575630713 950764291 /nfs/dbraw/zinc/76/42/91/950764291.db2.gz FHZNIVCKTNOLEP-UHFFFAOYSA-N -1 3 390.491 3.876 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1O ZINC001573884394 950795448 /nfs/dbraw/zinc/79/54/48/950795448.db2.gz MIPCLBAMGSHDIT-UHFFFAOYSA-N -1 3 376.420 3.603 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1O ZINC001573884394 950795456 /nfs/dbraw/zinc/79/54/56/950795456.db2.gz MIPCLBAMGSHDIT-UHFFFAOYSA-N -1 3 376.420 3.603 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCCCc2ccccc21 ZINC001573887479 950842649 /nfs/dbraw/zinc/84/26/49/950842649.db2.gz CYYNPMAWNBKYAR-UHFFFAOYSA-N -1 3 379.468 3.798 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCCCc2ccccc21 ZINC001573887479 950842668 /nfs/dbraw/zinc/84/26/68/950842668.db2.gz CYYNPMAWNBKYAR-UHFFFAOYSA-N -1 3 379.468 3.798 20 0 GHADHM CC1(C)C[C@@H](CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638973 950852936 /nfs/dbraw/zinc/85/29/36/950852936.db2.gz KXJNKIOGESXPMF-UONOGXRCSA-N -1 3 383.418 3.653 20 0 GHADHM CC1(C)C[C@@H](CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638973 950852961 /nfs/dbraw/zinc/85/29/61/950852961.db2.gz KXJNKIOGESXPMF-UONOGXRCSA-N -1 3 383.418 3.653 20 0 GHADHM O=C([O-])CCc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC001595067055 951562112 /nfs/dbraw/zinc/56/21/12/951562112.db2.gz VUOCDXLVDCQLJM-HXUWFJFHSA-N -1 3 381.476 3.662 20 0 GHADHM C[C@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1)Oc1ccccc1 ZINC001575118813 951985708 /nfs/dbraw/zinc/98/57/08/951985708.db2.gz TVZBTYWTEVNEFW-SNVBAGLBSA-N -1 3 381.333 3.904 20 0 GHADHM C[C@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1)Oc1ccccc1 ZINC001575118813 951985717 /nfs/dbraw/zinc/98/57/17/951985717.db2.gz TVZBTYWTEVNEFW-SNVBAGLBSA-N -1 3 381.333 3.904 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001575184734 952422826 /nfs/dbraw/zinc/42/28/26/952422826.db2.gz BIMSRWSXFDQVLF-SJORKVTESA-N -1 3 381.524 3.864 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001575184734 952422829 /nfs/dbraw/zinc/42/28/29/952422829.db2.gz BIMSRWSXFDQVLF-SJORKVTESA-N -1 3 381.524 3.864 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1c2ccccc2SC[C@@H]1C ZINC001575187480 952441631 /nfs/dbraw/zinc/44/16/31/952441631.db2.gz CMZHGPRLJOSYES-KBPBESRZSA-N -1 3 379.489 3.573 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccccc2SC[C@@H]1C ZINC001575187480 952441635 /nfs/dbraw/zinc/44/16/35/952441635.db2.gz CMZHGPRLJOSYES-KBPBESRZSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001575188857 952449893 /nfs/dbraw/zinc/44/98/93/952449893.db2.gz KQXGLGLSIDMERX-AWEZNQCLSA-N -1 3 396.470 3.560 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001575188857 952449897 /nfs/dbraw/zinc/44/98/97/952449897.db2.gz KQXGLGLSIDMERX-AWEZNQCLSA-N -1 3 396.470 3.560 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575189406 952458214 /nfs/dbraw/zinc/45/82/14/952458214.db2.gz OLDJOZVSNISDHL-DJJJIMSYSA-N -1 3 395.894 3.893 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575189406 952458215 /nfs/dbraw/zinc/45/82/15/952458215.db2.gz OLDJOZVSNISDHL-DJJJIMSYSA-N -1 3 395.894 3.893 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001575190096 952461398 /nfs/dbraw/zinc/46/13/98/952461398.db2.gz RAZDGNIRSWRRCW-IFXJQAMLSA-N -1 3 392.459 3.891 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001575190096 952461401 /nfs/dbraw/zinc/46/14/01/952461401.db2.gz RAZDGNIRSWRRCW-IFXJQAMLSA-N -1 3 392.459 3.891 20 0 GHADHM CC[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589552690 955227415 /nfs/dbraw/zinc/22/74/15/955227415.db2.gz SONPGLYUMHRDSS-NVXWUHKLSA-N -1 3 390.455 3.667 20 0 GHADHM O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)co1 ZINC000902269349 956691865 /nfs/dbraw/zinc/69/18/65/956691865.db2.gz JHWGHKJFFHZADS-GNISGLHKSA-N -1 3 382.460 3.552 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC001594285578 957775092 /nfs/dbraw/zinc/77/50/92/957775092.db2.gz HIAZDQPHQDBZNF-HXUWFJFHSA-N -1 3 384.476 3.513 20 0 GHADHM Cc1cc(NC(=O)CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1Br ZINC000391998718 972398533 /nfs/dbraw/zinc/39/85/33/972398533.db2.gz MWMRAKCIHNPOOE-CYBMUJFWSA-N -1 3 397.313 3.519 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC1(O)CCC(C(=O)[O-])CC1 ZINC001594485872 959660611 /nfs/dbraw/zinc/66/06/11/959660611.db2.gz CJNSYPYNAIUIKJ-LFDOHDQPSA-N -1 3 397.947 3.644 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC001588734408 961121181 /nfs/dbraw/zinc/12/11/81/961121181.db2.gz BQFOBRFHKBPPTI-DLBZAZTESA-N -1 3 378.513 3.652 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1C(F)(F)F ZINC001573990198 961814898 /nfs/dbraw/zinc/81/48/98/961814898.db2.gz DKPIAKKEAAZNHV-AATRIKPKSA-N -1 3 382.338 3.710 20 0 GHADHM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC001345728660 962276413 /nfs/dbraw/zinc/27/64/13/962276413.db2.gz BLPAWFYBDBDRKH-GAJHUEQPSA-N -1 3 398.478 3.555 20 0 GHADHM C[C@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314850252 963820588 /nfs/dbraw/zinc/82/05/88/963820588.db2.gz WRNFPTWDHUUCGS-KPZWWZAWSA-N -1 3 383.514 3.529 20 0 GHADHM Cc1ccc(C(=O)[C@@H](Oc2[n-]c(=O)nc3cnncc32)c2ccc(C)cc2)cc1 ZINC001226688437 1032076327 /nfs/dbraw/zinc/07/63/27/1032076327.db2.gz RMIVRAJPRQBPSM-FQEVSTJZSA-N -1 3 386.411 3.745 20 0 GHADHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC001605680609 974095456 /nfs/dbraw/zinc/09/54/56/974095456.db2.gz XFSZIGMUCXVRKA-OAHLLOKOSA-N -1 3 392.377 3.718 20 0 GHADHM CC(C)O[C@]1(CNCc2ccccc2OCc2ccc(C(=O)[O-])cc2)CCOC1 ZINC001591695901 975527475 /nfs/dbraw/zinc/52/74/75/975527475.db2.gz NASHVFMLPZPAJH-QHCPKHFHSA-N -1 3 399.487 3.638 20 0 GHADHM CC(C)Oc1c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cccc1C(=O)[O-] ZINC001591740906 975744293 /nfs/dbraw/zinc/74/42/93/975744293.db2.gz LXMBDDNPQQDADK-WCQYABFASA-N -1 3 389.370 3.858 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001591994349 976631464 /nfs/dbraw/zinc/63/14/64/976631464.db2.gz KPFHATXTVJEFJD-GAJHUEQPSA-N -1 3 380.488 3.865 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625915578 1014372178 /nfs/dbraw/zinc/37/21/78/1014372178.db2.gz CKZLBVJQVPIILL-UHFFFAOYSA-N -1 3 394.866 3.818 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625915578 1014372193 /nfs/dbraw/zinc/37/21/93/1014372193.db2.gz CKZLBVJQVPIILL-UHFFFAOYSA-N -1 3 394.866 3.818 20 0 GHADHM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(NC2=NCCC2)cc1)C(=O)[O-] ZINC001592605540 978551942 /nfs/dbraw/zinc/55/19/42/978551942.db2.gz MGXADBLIVFGUNS-MRXNPFEDSA-N -1 3 379.460 3.654 20 0 GHADHM C[C@@](CNCc1nc2cc(Br)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC001592713037 979209937 /nfs/dbraw/zinc/20/99/37/979209937.db2.gz XRMABJCWPHKAHR-SFHVURJKSA-N -1 3 389.249 3.722 20 0 GHADHM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000842658100 979323479 /nfs/dbraw/zinc/32/34/79/979323479.db2.gz KZQNNZKMNORTCJ-RTWAWAEBSA-N -1 3 398.547 3.925 20 0 GHADHM CC[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001595300690 980434939 /nfs/dbraw/zinc/43/49/39/980434939.db2.gz RSYABHNLYFCNDD-GOSISDBHSA-N -1 3 395.908 3.580 20 0 GHADHM CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001596442616 984138809 /nfs/dbraw/zinc/13/88/09/984138809.db2.gz ZBIAXZBIXZKDGU-CABCVRRESA-N -1 3 389.471 3.671 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)cn1C ZINC000544844568 1015091169 /nfs/dbraw/zinc/09/11/69/1015091169.db2.gz RZOAENSAPKFMKE-UHFFFAOYSA-N -1 3 391.276 3.618 20 0 GHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1F ZINC001597100822 986708601 /nfs/dbraw/zinc/70/86/01/986708601.db2.gz ITQXSDMPNRMJNC-INIZCTEOSA-N -1 3 382.229 3.902 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3cccc4ccccc43)no2)cc1 ZINC000545019623 1015372996 /nfs/dbraw/zinc/37/29/96/1015372996.db2.gz DTDPELCTZVLVPZ-UHFFFAOYSA-N -1 3 379.441 3.852 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC001599811956 988352630 /nfs/dbraw/zinc/35/26/30/988352630.db2.gz LUESWDDGXQOJRL-QGZVFWFLSA-N -1 3 391.468 3.670 20 0 GHADHM CSc1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1C(=O)[O-] ZINC001599816678 988438004 /nfs/dbraw/zinc/43/80/04/988438004.db2.gz KWMTUPRJCOQDRF-UHFFFAOYSA-N -1 3 393.534 3.764 20 0 GHADHM O=C([N-]c1cc(F)cc(Br)c1F)c1cnc(-c2ncccn2)s1 ZINC000468218999 1015434131 /nfs/dbraw/zinc/43/41/31/1015434131.db2.gz PVFLUZYSGCIUJJ-UHFFFAOYSA-N -1 3 397.204 3.893 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1ccsc1C(=O)[O-])C2 ZINC001590026262 989025215 /nfs/dbraw/zinc/02/52/15/989025215.db2.gz SXQVHAGOOQSBLL-LJQANCHMSA-N -1 3 380.510 3.812 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2c(CNCc3ccc(C(=O)[O-])[nH]3)cccc21 ZINC001590050455 989078259 /nfs/dbraw/zinc/07/82/59/989078259.db2.gz FKZSENFDBYDJQW-UHFFFAOYSA-N -1 3 385.464 3.690 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001597762639 989197165 /nfs/dbraw/zinc/19/71/65/989197165.db2.gz IFGBWBUWGMOHKM-ZIAGYGMSSA-N -1 3 380.485 3.665 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001590185021 989537304 /nfs/dbraw/zinc/53/73/04/989537304.db2.gz OBEBAXHVXVCXGM-AWEZNQCLSA-N -1 3 391.512 3.717 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001590202059 989572191 /nfs/dbraw/zinc/57/21/91/989572191.db2.gz UEEUJGZIXPSBED-SFHVURJKSA-N -1 3 388.508 3.682 20 0 GHADHM CN(C)[C@@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)c1ccccc1 ZINC001598174099 990719086 /nfs/dbraw/zinc/71/90/86/990719086.db2.gz SAPORHKGPAYQNG-SFHVURJKSA-N -1 3 387.505 3.678 20 0 GHADHM CC(C)(NCc1ccc(/C=C\C(=O)[O-])o1)[C@@H](O)c1ccc(Br)cc1 ZINC001590871385 990777410 /nfs/dbraw/zinc/77/74/10/990777410.db2.gz QFDLIXSUVFCHNW-IBSYWUHOSA-N -1 3 394.265 3.742 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001598247414 991017730 /nfs/dbraw/zinc/01/77/30/991017730.db2.gz QJEMXYGQTJBHHN-UHFFFAOYSA-N -1 3 377.400 3.926 20 0 GHADHM COc1ccccc1C[C@@H](C)N(C)Cc1oc(Br)cc1C(=O)[O-] ZINC001599708908 991336837 /nfs/dbraw/zinc/33/68/37/991336837.db2.gz LVDDDNLFQIRNMC-LLVKDONJSA-N -1 3 382.254 3.812 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000468380952 1015648969 /nfs/dbraw/zinc/64/89/69/1015648969.db2.gz ARJIJSBCSONHFG-UHFFFAOYSA-N -1 3 392.858 3.983 20 0 GHADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001591210803 992046563 /nfs/dbraw/zinc/04/65/63/992046563.db2.gz CZCKSWOHMLPIEI-LJQANCHMSA-N -1 3 397.519 3.518 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)N(C)C)cc1 ZINC001591485036 992614288 /nfs/dbraw/zinc/61/42/88/992614288.db2.gz YILOGICIPUKNPZ-IBGZPJMESA-N -1 3 386.536 3.639 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001598585754 993379216 /nfs/dbraw/zinc/37/92/16/993379216.db2.gz VDIBKJUJOXNVIC-UHFFFAOYSA-N -1 3 395.503 3.832 20 0 GHADHM C[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001593109216 993771765 /nfs/dbraw/zinc/77/17/65/993771765.db2.gz KLZNQNMDKAVCJO-BFUOFWGJSA-N -1 3 380.448 3.679 20 0 GHADHM CN1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@H]1Cc1ccccc1 ZINC001598612010 993794391 /nfs/dbraw/zinc/79/43/91/993794391.db2.gz OXMSRZSGZWFEDB-MOPGFXCFSA-N -1 3 392.421 3.690 20 0 GHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194149 994130031 /nfs/dbraw/zinc/13/00/31/994130031.db2.gz AJBYUUZRLRCUTL-VLIAUNLRSA-N -1 3 393.418 3.950 20 0 GHADHM C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1OCC(=O)[O-] ZINC001593209486 994237841 /nfs/dbraw/zinc/23/78/41/994237841.db2.gz MFGCMSUOWUZGPE-JLCFBVMHSA-N -1 3 383.444 3.723 20 0 GHADHM C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1OCC(=O)[O-] ZINC001593209488 994239028 /nfs/dbraw/zinc/23/90/28/994239028.db2.gz MFGCMSUOWUZGPE-PEBXRYMYSA-N -1 3 383.444 3.723 20 0 GHADHM CSCc1ccccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000545409481 1015850866 /nfs/dbraw/zinc/85/08/66/1015850866.db2.gz FCNPRSWBHWYCBO-UHFFFAOYSA-N -1 3 394.500 3.575 20 0 GHADHM C[C@H](NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ncc(C(=O)[O-])s1 ZINC001593245709 994439739 /nfs/dbraw/zinc/43/97/39/994439739.db2.gz AWUYKWMNMSRVGT-GXFFZTMASA-N -1 3 387.427 3.814 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCOc1cccc(Br)c1 ZINC000468648402 1015872562 /nfs/dbraw/zinc/87/25/62/1015872562.db2.gz KTXVHYFRNQSGPR-UHFFFAOYSA-N -1 3 396.256 3.812 20 0 GHADHM COc1cccc(CN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C[C@@H]2CCCO2)c1 ZINC001599673836 994861520 /nfs/dbraw/zinc/86/15/20/994861520.db2.gz XFHMQMJDMSCPBX-VGSWGCGISA-N -1 3 399.487 3.728 20 0 GHADHM C[C@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1ccccc1Cl ZINC001593411876 995193699 /nfs/dbraw/zinc/19/36/99/995193699.db2.gz SPBNRCGZSGAYSZ-KRWDZBQOSA-N -1 3 398.684 3.798 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1)C(=O)[O-] ZINC001593615970 995841611 /nfs/dbraw/zinc/84/16/11/995841611.db2.gz VCDOGCGSGOOOEL-QGZVFWFLSA-N -1 3 380.488 3.566 20 0 GHADHM C[C@H](Oc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1)C(=O)[O-] ZINC001593617454 995852066 /nfs/dbraw/zinc/85/20/66/995852066.db2.gz IQIGFFSBEZPMST-KSSFIOAISA-N -1 3 375.490 3.594 20 0 GHADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468769095 1016014070 /nfs/dbraw/zinc/01/40/70/1016014070.db2.gz ARFZPUQQFOMXIV-UHFFFAOYSA-N -1 3 386.467 3.605 20 0 GHADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC001593720118 996248599 /nfs/dbraw/zinc/24/85/99/996248599.db2.gz LLBANVLLYCDNPU-NXOAAHMSSA-N -1 3 399.491 3.724 20 0 GHADHM C[C@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1)N1[C@H](C)CC[C@@H]1C ZINC001593720121 996248650 /nfs/dbraw/zinc/24/86/50/996248650.db2.gz LLBANVLLYCDNPU-YYIAUSFCSA-N -1 3 399.491 3.724 20 0 GHADHM C[C@@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001593734190 996322734 /nfs/dbraw/zinc/32/27/34/996322734.db2.gz QYHQMKMFQGVALJ-WCQYABFASA-N -1 3 398.290 3.658 20 0 GHADHM CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593837841 996596489 /nfs/dbraw/zinc/59/64/89/996596489.db2.gz NQUWQUMVFAVCAO-QGZVFWFLSA-N -1 3 392.927 3.812 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1F ZINC000468800992 1016047077 /nfs/dbraw/zinc/04/70/77/1016047077.db2.gz CXXCMZNERCMRCH-UHFFFAOYSA-N -1 3 377.441 3.809 20 0 GHADHM COc1cc([C@@H](C)NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)cc(OC)c1OC ZINC001599389806 997013335 /nfs/dbraw/zinc/01/33/35/997013335.db2.gz SZDADWWSSZQKMV-GFCCVEGCSA-N -1 3 376.453 3.713 20 0 GHADHM COc1cc(CC2CN(C(=O)CCCc3ccc([O-])c(F)c3)C2)cc(OC)c1 ZINC000468836218 1016089333 /nfs/dbraw/zinc/08/93/33/1016089333.db2.gz DZGKCWGNNUQASQ-UHFFFAOYSA-N -1 3 387.451 3.572 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000468840267 1016094020 /nfs/dbraw/zinc/09/40/20/1016094020.db2.gz FYPGTIRBWUBJGW-UHFFFAOYSA-N -1 3 376.859 3.856 20 0 GHADHM COc1cc(CNCCc2cc3ccc(C(=O)[O-])cc3o2)c(Cl)cc1O ZINC001599414939 997489303 /nfs/dbraw/zinc/48/93/03/997489303.db2.gz BGLCDFPRWRIONY-UHFFFAOYSA-N -1 3 375.808 3.831 20 0 GHADHM C[C@@]1(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCCc2ccccc21 ZINC001594060431 997835225 /nfs/dbraw/zinc/83/52/25/997835225.db2.gz MCWYVLRSBZUWSS-OAQYLSRUSA-N -1 3 384.501 3.715 20 0 GHADHM CC(C)OCc1ccccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000545642854 1016167261 /nfs/dbraw/zinc/16/72/61/1016167261.db2.gz WHJBXBSECHJPOP-UHFFFAOYSA-N -1 3 387.461 3.700 20 0 GHADHM COc1ccc(C[C@H](NCc2cncc(C(=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC001599552888 998039862 /nfs/dbraw/zinc/03/98/62/998039862.db2.gz OVKSCLFDCPWLAG-QFIPXVFZSA-N -1 3 392.455 3.871 20 0 GHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])ccc2F)[C@H](CO)C(C)C)cc1 ZINC001599559307 998159616 /nfs/dbraw/zinc/15/96/16/998159616.db2.gz ZCYXTHPLKVLFHD-HXUWFJFHSA-N -1 3 375.440 3.552 20 0 GHADHM COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001599369866 998393905 /nfs/dbraw/zinc/39/39/05/998393905.db2.gz BGGGELDNJOVPSH-INIZCTEOSA-N -1 3 397.475 3.522 20 0 GHADHM COc1ccc(-c2nc(CN[C@H](C)[C@@H](Cc3ccccc3)C(=O)[O-])co2)cc1 ZINC001599469787 998429880 /nfs/dbraw/zinc/42/98/80/998429880.db2.gz KCRWLBOZJMVLSQ-FOIQADDNSA-N -1 3 380.444 3.772 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000470328319 1016771474 /nfs/dbraw/zinc/77/14/74/1016771474.db2.gz OKDNXJMOICEYDF-ZDUSSCGKSA-N -1 3 393.915 3.984 20 0 GHADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557839318 1017055712 /nfs/dbraw/zinc/05/57/12/1017055712.db2.gz QRRMJXNZGDOGBS-LBPRGKRZSA-N -1 3 390.452 3.950 20 0 GHADHM O=C(CCCSc1ccc(Cl)cc1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797090 1032288714 /nfs/dbraw/zinc/28/87/14/1032288714.db2.gz FQQNYZQINPREFS-UHFFFAOYSA-N -1 3 377.897 3.902 20 0 GHADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317552192 1032411715 /nfs/dbraw/zinc/41/17/15/1032411715.db2.gz KSWHBNGWMODUES-LBPRGKRZSA-N -1 3 386.286 3.888 20 0 GHADHM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178845 1032446264 /nfs/dbraw/zinc/44/62/64/1032446264.db2.gz OZAAUFBIBYICPJ-UHFFFAOYSA-N -1 3 383.795 3.522 20 0 GHADHM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178845 1032446272 /nfs/dbraw/zinc/44/62/72/1032446272.db2.gz OZAAUFBIBYICPJ-UHFFFAOYSA-N -1 3 383.795 3.522 20 0 GHADHM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1nc2ccc(Cl)nc2[n-]1 ZINC001155178845 1032446277 /nfs/dbraw/zinc/44/62/77/1032446277.db2.gz OZAAUFBIBYICPJ-UHFFFAOYSA-N -1 3 383.795 3.522 20 0 GHADHM COC(=O)c1cc2cccc(NC(=O)c3nc4nc(Cl)ccc4[n-]3)c2s1 ZINC001155187338 1032449825 /nfs/dbraw/zinc/44/98/25/1032449825.db2.gz YOZBUEGCVYCNRK-UHFFFAOYSA-N -1 3 386.820 3.865 20 0 GHADHM COC(=O)c1cc2cccc(NC(=O)c3nc4ccc(Cl)[n-]c-4n3)c2s1 ZINC001155187338 1032449829 /nfs/dbraw/zinc/44/98/29/1032449829.db2.gz YOZBUEGCVYCNRK-UHFFFAOYSA-N -1 3 386.820 3.865 20 0 GHADHM O=C(NCc1ccsc1Br)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001155531801 1032572539 /nfs/dbraw/zinc/57/25/39/1032572539.db2.gz UVAYLQDMWUBYOH-UHFFFAOYSA-N -1 3 399.216 3.560 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c([O-])c1 ZINC001155551955 1032577530 /nfs/dbraw/zinc/57/75/30/1032577530.db2.gz UNPAYHNUETWARZ-HXUWFJFHSA-N -1 3 376.456 3.849 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@@H](C(=O)c2cccs2)c2cccs2)n1 ZINC001227820599 1032630788 /nfs/dbraw/zinc/63/07/88/1032630788.db2.gz XLIMVNWTRKHBNL-OAHLLOKOSA-N -1 3 375.427 3.700 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000777608067 1017317259 /nfs/dbraw/zinc/31/72/59/1017317259.db2.gz OCBLQCWYTZIUSL-GASCZTMLSA-N -1 3 392.496 3.803 20 0 GHADHM CN(Cc1ccccc1N1CCCC1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000929534882 1017701673 /nfs/dbraw/zinc/70/16/73/1017701673.db2.gz UYDYKJOXVBTSCP-UHFFFAOYSA-N -1 3 397.425 3.679 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H]2C)cc1 ZINC000931620823 1018013315 /nfs/dbraw/zinc/01/33/15/1018013315.db2.gz QFMHOLLBQODBQY-HZPDHXFCSA-N -1 3 387.505 3.976 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnc3cc(C4CC4)nn3c2)c([O-])c1 ZINC001155862157 1032748725 /nfs/dbraw/zinc/74/87/25/1032748725.db2.gz YKAYZBMHGGJGDF-UHFFFAOYSA-N -1 3 394.431 3.520 20 0 GHADHM COc1c(C)cnc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)c1C ZINC000562723294 1018575187 /nfs/dbraw/zinc/57/51/87/1018575187.db2.gz UZONWMIULOAOCS-UHFFFAOYSA-N -1 3 378.432 3.734 20 0 GHADHM C[C@@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCCO1 ZINC000562844171 1018702643 /nfs/dbraw/zinc/70/26/43/1018702643.db2.gz JNBHCOWUDMLLSI-INIZCTEOSA-N -1 3 390.241 3.700 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])cc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001228185905 1032829309 /nfs/dbraw/zinc/82/93/09/1032829309.db2.gz LRUQBSFXFHKISD-KESTWPANSA-N -1 3 381.472 3.645 20 0 GHADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000572641929 1019789694 /nfs/dbraw/zinc/78/96/94/1019789694.db2.gz GAMVPDFNJXMWCT-OQIJWPOYSA-N -1 3 398.528 3.600 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C3CCCC3)C2)cc1OC ZINC000572831367 1019806614 /nfs/dbraw/zinc/80/66/14/1019806614.db2.gz VXEWCHXYJAAWQX-OAHLLOKOSA-N -1 3 395.525 3.501 20 0 GHADHM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H]3CCc4[nH]c(C(C)C)nc4C3)[nH][n-]2)c1 ZINC000575789679 1019947028 /nfs/dbraw/zinc/94/70/28/1019947028.db2.gz BNXBFSBOCDOUEN-CYBMUJFWSA-N -1 3 381.455 3.536 20 0 GHADHM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H]3CCc4nc(C(C)C)[nH]c4C3)[nH][n-]2)c1 ZINC000575789679 1019947038 /nfs/dbraw/zinc/94/70/38/1019947038.db2.gz BNXBFSBOCDOUEN-CYBMUJFWSA-N -1 3 381.455 3.536 20 0 GHADHM O=C([N-]NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1F ZINC000047118298 1019952666 /nfs/dbraw/zinc/95/26/66/1019952666.db2.gz BTWSIWDRAINZAB-IBGZPJMESA-N -1 3 381.382 3.698 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000626585119 1020457534 /nfs/dbraw/zinc/45/75/34/1020457534.db2.gz DPZLSCYVNBIMSE-UHFFFAOYSA-N -1 3 378.350 3.794 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2cnn(-c3ccccc3)c2C1 ZINC001156199680 1032921020 /nfs/dbraw/zinc/92/10/20/1032921020.db2.gz YLTQNOUWVJAEIO-UHFFFAOYSA-N -1 3 379.823 3.670 20 0 GHADHM O=Cc1cc(C(=O)[N-]c2nnc(-c3cccc(OC(F)(F)F)c3)s2)co1 ZINC001140351934 1021473353 /nfs/dbraw/zinc/47/33/53/1021473353.db2.gz ZNQQTEIMMGNSQR-UHFFFAOYSA-N -1 3 383.307 3.762 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCOC1 ZINC000902920651 1021551687 /nfs/dbraw/zinc/55/16/87/1021551687.db2.gz NTHYFSMFPIZYAH-IUCAKERBSA-N -1 3 386.748 3.777 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)c1Br ZINC001140548909 1021949761 /nfs/dbraw/zinc/94/97/61/1021949761.db2.gz XSJOXLPIGBLKBR-UHFFFAOYSA-N -1 3 398.688 3.642 20 0 GHADHM Cc1cccnc1O[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC001140555323 1021958779 /nfs/dbraw/zinc/95/87/79/1021958779.db2.gz DBBQXGFPJOOVNF-HNNXBMFYSA-N -1 3 377.282 3.902 20 0 GHADHM O=C([N-]c1nnc2n1CCCC2)c1sc(-c2ccccc2)nc1C(F)F ZINC000679583184 1022019025 /nfs/dbraw/zinc/01/90/25/1022019025.db2.gz ZYRUBYCTDWXSFT-UHFFFAOYSA-N -1 3 375.404 3.928 20 0 GHADHM O=C(c1nc(-c2ccccc2)oc1-c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000680224985 1022117487 /nfs/dbraw/zinc/11/74/87/1022117487.db2.gz QEPGXDWGILPXQL-UHFFFAOYSA-N -1 3 398.422 3.703 20 0 GHADHM COc1cccc(C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC000754017818 1022426244 /nfs/dbraw/zinc/42/62/44/1022426244.db2.gz JWVGXBRMXZJRLJ-UHFFFAOYSA-N -1 3 384.432 3.951 20 0 GHADHM COc1cc(C(=O)OCc2cccc(OCC(F)(F)F)c2)cc(OC)c1[O-] ZINC000754271678 1022573778 /nfs/dbraw/zinc/57/37/78/1022573778.db2.gz MKJOKWOSUGJBGZ-UHFFFAOYSA-N -1 3 386.322 3.708 20 0 GHADHM COc1cc(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)cc(OC)c1[O-] ZINC000754279408 1022579814 /nfs/dbraw/zinc/57/98/14/1022579814.db2.gz IVRCUDSSPUBZIA-UHFFFAOYSA-N -1 3 387.432 3.502 20 0 GHADHM O=C(OC[C@]1(c2ccccc2)CCC(=O)NC1)c1cc2cc(Cl)sc2[n-]1 ZINC000836060993 1022588728 /nfs/dbraw/zinc/58/87/28/1022588728.db2.gz YAMOOHDPTJEENM-IBGZPJMESA-N -1 3 388.876 3.888 20 0 GHADHM O=C1N(CC2CC2)CC[C@@]12CCCN(Cc1cc(Cl)c([O-])c(Cl)c1)C2 ZINC001140832275 1022653673 /nfs/dbraw/zinc/65/36/73/1022653673.db2.gz XWCDZSSDXNXQBQ-LJQANCHMSA-N -1 3 383.319 3.924 20 0 GHADHM COc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1[O-] ZINC000754394980 1022669267 /nfs/dbraw/zinc/66/92/67/1022669267.db2.gz CNCPVKQBGKASFC-UHFFFAOYSA-N -1 3 393.395 3.881 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)cc(OC)c1[O-] ZINC000754475228 1022726443 /nfs/dbraw/zinc/72/64/43/1022726443.db2.gz PIYRAVQJHRWFHB-GFCCVEGCSA-N -1 3 398.242 3.970 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000836230807 1022750696 /nfs/dbraw/zinc/75/06/96/1022750696.db2.gz WFFPUTPXAHJJJV-UHFFFAOYSA-N -1 3 395.456 3.576 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000836259735 1022786642 /nfs/dbraw/zinc/78/66/42/1022786642.db2.gz LHPQCRPDVLYTJY-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000836259735 1022786650 /nfs/dbraw/zinc/78/66/50/1022786650.db2.gz LHPQCRPDVLYTJY-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140891446 1022811979 /nfs/dbraw/zinc/81/19/79/1022811979.db2.gz YFZLXZYWONJIBP-JOCHJYFZSA-N -1 3 384.426 3.571 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140894657 1022819648 /nfs/dbraw/zinc/81/96/48/1022819648.db2.gz DJGFOHNTIXLZDO-HNNXBMFYSA-N -1 3 382.451 3.940 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2Cc2ccc(C(=O)[O-])o2)C1 ZINC001140944203 1022949102 /nfs/dbraw/zinc/94/91/02/1022949102.db2.gz VDPSOXRZQRIQPP-HXUWFJFHSA-N -1 3 378.469 3.733 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000836429730 1022965222 /nfs/dbraw/zinc/96/52/22/1022965222.db2.gz RTOHBSXUIDUIPA-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000836429730 1022965230 /nfs/dbraw/zinc/96/52/30/1022965230.db2.gz RTOHBSXUIDUIPA-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000836525898 1023078986 /nfs/dbraw/zinc/07/89/86/1023078986.db2.gz KEGSAHMKHFFUBC-UHFFFAOYSA-N -1 3 379.240 3.787 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000836525898 1023078998 /nfs/dbraw/zinc/07/89/98/1023078998.db2.gz KEGSAHMKHFFUBC-UHFFFAOYSA-N -1 3 379.240 3.787 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1F ZINC001140988925 1023094936 /nfs/dbraw/zinc/09/49/36/1023094936.db2.gz QWGRXEAORJBLLQ-WIYYLYMNSA-N -1 3 390.430 3.516 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000755374746 1023219911 /nfs/dbraw/zinc/21/99/11/1023219911.db2.gz JJGWTMOSCRENFB-RYUDHWBXSA-N -1 3 390.402 3.803 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2C1 ZINC000836732714 1023321758 /nfs/dbraw/zinc/32/17/58/1023321758.db2.gz UVCAJYCAVYWTKC-MRXNPFEDSA-N -1 3 377.441 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2C1 ZINC000836732714 1023321769 /nfs/dbraw/zinc/32/17/69/1023321769.db2.gz UVCAJYCAVYWTKC-MRXNPFEDSA-N -1 3 377.441 3.517 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NC/C=C/c2ccc(F)cc2F)c1OC ZINC000756336762 1023595206 /nfs/dbraw/zinc/59/52/06/1023595206.db2.gz KLFHZANHRVTZLT-BDUNBXCCSA-N -1 3 377.387 3.801 20 0 GHADHM O=C([N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)(F)c1nccs1 ZINC000756537315 1023703628 /nfs/dbraw/zinc/70/36/28/1023703628.db2.gz POLPXCWWLZORGF-VIFPVBQESA-N -1 3 392.258 3.937 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756540916 1023706681 /nfs/dbraw/zinc/70/66/81/1023706681.db2.gz CNIFZIOSKLWMPK-QMMMGPOBSA-N -1 3 391.237 3.883 20 0 GHADHM CC(C)(C)c1nc(C(=O)Nc2ccc(I)cc2[O-])co1 ZINC001138176639 1024307241 /nfs/dbraw/zinc/30/72/41/1024307241.db2.gz NKOSFEFOYMIUPX-UHFFFAOYSA-N -1 3 386.189 3.535 20 0 GHADHM O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1cc2sccc2c([O-])c1 ZINC001138203967 1024358458 /nfs/dbraw/zinc/35/84/58/1024358458.db2.gz PCNHJAPOKZLUCZ-QGZVFWFLSA-N -1 3 398.553 3.954 20 0 GHADHM O=C(CCC(=O)c1ccc2ccccc2c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837357000 1024376771 /nfs/dbraw/zinc/37/67/71/1024376771.db2.gz NERVGFXYTSHHOP-UHFFFAOYSA-N -1 3 376.412 3.919 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)c([O-])c1 ZINC001141286127 1024407814 /nfs/dbraw/zinc/40/78/14/1024407814.db2.gz JNCMRJCXSFNCPN-CQSZACIVSA-N -1 3 386.439 3.794 20 0 GHADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301846 1024464389 /nfs/dbraw/zinc/46/43/89/1024464389.db2.gz CZCLRJVYPLEXRZ-UHFFFAOYSA-N -1 3 396.628 3.945 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1[O-] ZINC001141306196 1024479072 /nfs/dbraw/zinc/47/90/72/1024479072.db2.gz HMBLIKMBPHDEKM-UHFFFAOYSA-N -1 3 390.439 3.892 20 0 GHADHM CCc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c2c(n1)onc2C(C)C ZINC000837709502 1024653675 /nfs/dbraw/zinc/65/36/75/1024653675.db2.gz YCUPVJUSGUUQFB-UHFFFAOYSA-N -1 3 382.420 3.639 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000831808924 1024893989 /nfs/dbraw/zinc/89/39/89/1024893989.db2.gz UCLLPIPTWSXTEO-SNVBAGLBSA-N -1 3 382.360 3.523 20 0 GHADHM COc1c(Cl)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC001138479387 1024909002 /nfs/dbraw/zinc/90/90/02/1024909002.db2.gz DCPXUXJTOHZPOS-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-c4cnn(C)c4)o3)nc(=O)c2c1C ZINC000838242980 1025017022 /nfs/dbraw/zinc/01/70/22/1025017022.db2.gz UZAYBOPYIVTKCA-JTQLQIEISA-N -1 3 398.444 3.925 20 0 GHADHM CCS(=O)(=O)c1cccc(C(=O)Nc2c(C)c(Br)ccc2[O-])c1 ZINC001141437492 1025053483 /nfs/dbraw/zinc/05/34/83/1025053483.db2.gz SMPJMNWOIBUZBO-UHFFFAOYSA-N -1 3 398.278 3.509 20 0 GHADHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc2sccc2c([O-])c1 ZINC001138774636 1025347812 /nfs/dbraw/zinc/34/78/12/1025347812.db2.gz AWCSCRYIYJRLQA-UHFFFAOYSA-N -1 3 388.514 3.755 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(C)C ZINC001141562562 1025551265 /nfs/dbraw/zinc/55/12/65/1025551265.db2.gz VWHMSGIUWNZRHA-MRXNPFEDSA-N -1 3 377.282 3.797 20 0 GHADHM COc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1OCc1cccnc1 ZINC001141590680 1025758165 /nfs/dbraw/zinc/75/81/65/1025758165.db2.gz OLTUSQTXDAASPA-UHFFFAOYSA-N -1 3 382.391 3.695 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC12CCC2 ZINC000832601845 1025758361 /nfs/dbraw/zinc/75/83/61/1025758361.db2.gz RMLONXSTJGWXRV-OAHLLOKOSA-N -1 3 392.471 3.512 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3nccs3)c2)cc1 ZINC001162515597 1025777353 /nfs/dbraw/zinc/77/73/53/1025777353.db2.gz LVTFZMDYLQDBBU-UHFFFAOYSA-N -1 3 375.475 3.565 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc3nc(N4CCCC4)sc3c2)c2ccccc21 ZINC000839398929 1025878271 /nfs/dbraw/zinc/87/82/71/1025878271.db2.gz FZCCMAIUPWFWAD-FOWTUZBSSA-N -1 3 390.468 3.620 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1[O-] ZINC001141656994 1026119850 /nfs/dbraw/zinc/11/98/50/1026119850.db2.gz WFXYGUPAABVAAO-UHFFFAOYSA-N -1 3 375.274 3.856 20 0 GHADHM C[C@@H](Nc1cc(Cl)nc(C2CCC2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001163604886 1026247803 /nfs/dbraw/zinc/24/78/03/1026247803.db2.gz HBLJNBDMVATHBU-WDEREUQCSA-N -1 3 375.860 3.573 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001139462293 1026327263 /nfs/dbraw/zinc/32/72/63/1026327263.db2.gz XOEPOCQQQHOSER-UHFFFAOYSA-N -1 3 383.448 3.641 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1c(C)cc(C)cc1C)OCC ZINC001202950178 1026444991 /nfs/dbraw/zinc/44/49/91/1026444991.db2.gz BLVRDODFLFTHAF-UHFFFAOYSA-N -1 3 388.468 3.693 20 0 GHADHM CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001164323436 1026485796 /nfs/dbraw/zinc/48/57/96/1026485796.db2.gz XHGGVOHMPMDEKO-IBGZPJMESA-N -1 3 390.487 3.772 20 0 GHADHM COc1nc2ccc(NCCCc3c[n-][nH]c3=O)cc2cc1Cc1ccccc1 ZINC001164382002 1026502404 /nfs/dbraw/zinc/50/24/04/1026502404.db2.gz JMODDTWBFRFEMT-QGZVFWFLSA-N -1 3 388.471 3.758 20 0 GHADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)nn1-c1cccc(C(F)(F)F)c1 ZINC001164506330 1026538561 /nfs/dbraw/zinc/53/85/61/1026538561.db2.gz ADQQPLSWPAOAQC-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853361 1026668560 /nfs/dbraw/zinc/66/85/60/1026668560.db2.gz BGPKDTVRMTXJQK-PMACEKPBSA-N -1 3 391.475 3.526 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853361 1026668566 /nfs/dbraw/zinc/66/85/66/1026668566.db2.gz BGPKDTVRMTXJQK-PMACEKPBSA-N -1 3 391.475 3.526 20 0 GHADHM O=S(=O)(C[C@@H]1CC[C@@H](C2CC2)O1)[N-]C(c1cccs1)c1cccs1 ZINC001210012414 1027314240 /nfs/dbraw/zinc/31/42/40/1027314240.db2.gz WCSXZNMUUOVKKJ-KBPBESRZSA-N -1 3 383.560 3.776 20 0 GHADHM COC(=O)c1nc(Br)sc1[N-]c1cnccc1C(F)(F)F ZINC001210094668 1027338457 /nfs/dbraw/zinc/33/84/57/1027338457.db2.gz XABUPXXUCYFHSK-UHFFFAOYSA-N -1 3 382.161 3.850 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2c1)c1cc2nc(Cl)ncc2s1 ZINC001210338715 1027459361 /nfs/dbraw/zinc/45/93/61/1027459361.db2.gz DLPJZVFVCUJHCX-UHFFFAOYSA-N -1 3 389.889 3.976 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000840354478 1027476118 /nfs/dbraw/zinc/47/61/18/1027476118.db2.gz MMYDZWIHJNCZOA-YUTCNCBUSA-N -1 3 381.402 3.595 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Oc2ccccc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001210482614 1027526117 /nfs/dbraw/zinc/52/61/17/1027526117.db2.gz LAUFADKWYVCUCY-JTQLQIEISA-N -1 3 392.341 3.894 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3nc(C)cc3C)cc2)s1 ZINC001210795308 1027655188 /nfs/dbraw/zinc/65/51/88/1027655188.db2.gz VBAUONNHEJHRIT-CQSZACIVSA-N -1 3 390.534 3.548 20 0 GHADHM CC(C)(C)OC(=O)Cn1cc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001210833785 1027669309 /nfs/dbraw/zinc/66/93/09/1027669309.db2.gz DEVRXDUWUZZCLG-UHFFFAOYSA-N -1 3 386.221 3.576 20 0 GHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)c1 ZINC001211083527 1027781612 /nfs/dbraw/zinc/78/16/12/1027781612.db2.gz GKUHQDHVRKLIJM-UHFFFAOYSA-N -1 3 396.921 3.869 20 0 GHADHM CCCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1 ZINC001211286236 1027888708 /nfs/dbraw/zinc/88/87/08/1027888708.db2.gz YZPZOLIPMICDNV-UHFFFAOYSA-N -1 3 382.869 3.680 20 0 GHADHM O=c1cc(-c2nc(-c3ccc(OCc4ccccc4)cn3)no2)nc(C2CC2)[n-]1 ZINC001213261083 1028076077 /nfs/dbraw/zinc/07/60/77/1028076077.db2.gz DHLKVXUINDPVRC-UHFFFAOYSA-N -1 3 387.399 3.751 20 0 GHADHM CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001213453866 1028201095 /nfs/dbraw/zinc/20/10/95/1028201095.db2.gz NARBHMKDANPFKJ-HNNXBMFYSA-N -1 3 394.320 3.701 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1cccc(OC)c1OC ZINC001213466307 1028206385 /nfs/dbraw/zinc/20/63/85/1028206385.db2.gz VIXHNHFIMGEPLE-CQSZACIVSA-N -1 3 381.519 3.855 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC)c(Br)c3)no2)[n-]1 ZINC001213974795 1028483586 /nfs/dbraw/zinc/48/35/86/1028483586.db2.gz BGPLIMFODNAQQY-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)c(Br)c(F)c3)no2)[n-]1 ZINC001213977342 1028486523 /nfs/dbraw/zinc/48/65/23/1028486523.db2.gz YMEDOHOBLMCNFV-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1C(F)(F)F ZINC001213988710 1028497140 /nfs/dbraw/zinc/49/71/40/1028497140.db2.gz MHESPZBAQFFOEE-VIFPVBQESA-N -1 3 375.334 3.948 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC001214396272 1028713850 /nfs/dbraw/zinc/71/38/50/1028713850.db2.gz NBYBTCFWCKJRGG-CYBMUJFWSA-N -1 3 386.839 3.766 20 0 GHADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@H](CC(=O)[O-])C(F)F ZINC000841811452 1028959058 /nfs/dbraw/zinc/95/90/58/1028959058.db2.gz OGYAAJINWPPXBA-JTQLQIEISA-N -1 3 392.233 3.933 20 0 GHADHM COc1ccc(I)cc1-c1noc(-c2ccccc2[O-])n1 ZINC001215142292 1029055514 /nfs/dbraw/zinc/05/55/14/1029055514.db2.gz WGCLNJLSXXLJBT-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC001215143686 1029056681 /nfs/dbraw/zinc/05/66/81/1029056681.db2.gz LGAQRWBGETWPMT-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1ccc(-c2nc(-c3cnc(N(C)C)c(Br)c3)no2)c([O-])c1 ZINC001215296928 1029136490 /nfs/dbraw/zinc/13/64/90/1029136490.db2.gz GFIWJLHQRIWXEM-UHFFFAOYSA-N -1 3 375.226 3.641 20 0 GHADHM COc1cnc(-c2noc(-c3cc([O-])ccc3Cl)n2)c(Br)c1 ZINC001215347656 1029165734 /nfs/dbraw/zinc/16/57/34/1029165734.db2.gz GRZXITNLTICULS-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM CC1CCN(c2ccc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2)CC1 ZINC001215560346 1029282218 /nfs/dbraw/zinc/28/22/18/1029282218.db2.gz RKLGJDYBLWLGBZ-UHFFFAOYSA-N -1 3 391.479 3.671 20 0 GHADHM CC1CCN(c2ccc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2)CC1 ZINC001215560346 1029282234 /nfs/dbraw/zinc/28/22/34/1029282234.db2.gz RKLGJDYBLWLGBZ-UHFFFAOYSA-N -1 3 391.479 3.671 20 0 GHADHM Cc1cc(Br)ccc1-c1noc(-c2ccccc2-c2nnn[n-]2)n1 ZINC001216014273 1029491483 /nfs/dbraw/zinc/49/14/83/1029491483.db2.gz JUNILWBVDXQCHX-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(Br)ccc1-c1noc(-c2ccccc2-c2nn[n-]n2)n1 ZINC001216014273 1029491492 /nfs/dbraw/zinc/49/14/92/1029491492.db2.gz JUNILWBVDXQCHX-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Fc1ccc(-c2ccc(-c3noc(-c4ccccc4-c4nnn[n-]4)n3)nc2)cc1 ZINC001216014641 1029493372 /nfs/dbraw/zinc/49/33/72/1029493372.db2.gz RWFGLIIPYQAIQX-UHFFFAOYSA-N -1 3 385.362 3.785 20 0 GHADHM Fc1ccc(-c2ccc(-c3noc(-c4ccccc4-c4nn[n-]n4)n3)nc2)cc1 ZINC001216014641 1029493381 /nfs/dbraw/zinc/49/33/81/1029493381.db2.gz RWFGLIIPYQAIQX-UHFFFAOYSA-N -1 3 385.362 3.785 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001216118056 1029531587 /nfs/dbraw/zinc/53/15/87/1029531587.db2.gz VXWBWCVSQZENER-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001216118056 1029531591 /nfs/dbraw/zinc/53/15/91/1029531591.db2.gz VXWBWCVSQZENER-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=S(=O)([N-]C1C[C@H]2CC[C@@H](C1)S2)c1c(Cl)cccc1Br ZINC000403605326 1029575153 /nfs/dbraw/zinc/57/51/53/1029575153.db2.gz HHNJPARHPHCSID-PBINXNQUSA-N -1 3 396.759 3.807 20 0 GHADHM Cc1cc([O-])c(-c2nc(-c3ccc(I)cc3)no2)c(O)c1 ZINC001216267151 1029589176 /nfs/dbraw/zinc/58/91/76/1029589176.db2.gz CTJFBJRBOLBLJU-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c2cccnc12 ZINC000842793370 1029591946 /nfs/dbraw/zinc/59/19/46/1029591946.db2.gz LQHMVYJDDIGVHQ-MRXNPFEDSA-N -1 3 397.500 3.569 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)c(C)c2)ccc1N ZINC001216381743 1029619451 /nfs/dbraw/zinc/61/94/51/1029619451.db2.gz IBSSNENZAZXWBA-UHFFFAOYSA-N -1 3 376.478 3.642 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)[n-]n1 ZINC001142905617 1029667770 /nfs/dbraw/zinc/66/77/70/1029667770.db2.gz KDEMQDZVDVICIK-UHFFFAOYSA-N -1 3 387.436 3.573 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)n[n-]1 ZINC001142905617 1029667775 /nfs/dbraw/zinc/66/77/75/1029667775.db2.gz KDEMQDZVDVICIK-UHFFFAOYSA-N -1 3 387.436 3.573 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2c(-c3nc(-c4cc(=O)[n-]cn4)no3)cccc21 ZINC000843026323 1029767539 /nfs/dbraw/zinc/76/75/39/1029767539.db2.gz LZAGXPKVCOSSDY-UHFFFAOYSA-N -1 3 395.419 3.587 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cc(Br)cc(F)c2F)no1 ZINC001216728577 1029907691 /nfs/dbraw/zinc/90/76/91/1029907691.db2.gz AXIFTHHTXBUJRG-UHFFFAOYSA-N -1 3 385.120 3.561 20 0 GHADHM [O-]c1cc(-c2nc(-c3ccccc3N3CCOCC3)no2)cc(C(F)(F)F)c1 ZINC001216895920 1029984732 /nfs/dbraw/zinc/98/47/32/1029984732.db2.gz MFPMGJRIIWILJS-UHFFFAOYSA-N -1 3 391.349 3.965 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cc(F)c(F)cc3Cl)no2)c1C ZINC001216962157 1030035124 /nfs/dbraw/zinc/03/51/24/1030035124.db2.gz ORYPDPDIPYDYLC-UHFFFAOYSA-N -1 3 391.761 3.920 20 0 GHADHM [O-]c1ccc(-c2nc(-c3cccc(N4CCOCC4)c3)no2)c(C(F)(F)F)c1 ZINC001216982427 1030049752 /nfs/dbraw/zinc/04/97/52/1030049752.db2.gz HAOUNBXGAZKVHM-UHFFFAOYSA-N -1 3 391.349 3.965 20 0 GHADHM COc1cccc(-c2noc(-c3cc([O-])cc(I)c3)n2)c1 ZINC001217066178 1030139340 /nfs/dbraw/zinc/13/93/40/1030139340.db2.gz XVELUIJEGAENIB-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM CCc1cccnc1-c1noc(-c2cc([O-])cc(I)c2)n1 ZINC001217065298 1030139453 /nfs/dbraw/zinc/13/94/53/1030139453.db2.gz CIGAJBZPEQJNIP-UHFFFAOYSA-N -1 3 393.184 3.671 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2ccccc2CN2CCSC2=O)no1 ZINC001217085130 1030150647 /nfs/dbraw/zinc/15/06/47/1030150647.db2.gz GLLMVZRFEIKOAK-UHFFFAOYSA-N -1 3 383.429 3.787 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c([O-])c1 ZINC001149662071 1030259939 /nfs/dbraw/zinc/25/99/39/1030259939.db2.gz JOAAOWDYRBTDDV-JTQLQIEISA-N -1 3 382.229 3.663 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2cccc3cn(C)nc32)no1 ZINC001217297717 1030290495 /nfs/dbraw/zinc/29/04/95/1030290495.db2.gz MNBKGXDXWSZVSF-UHFFFAOYSA-N -1 3 387.399 3.948 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2cccc3c2[N-]C(=O)C3=O)n1 ZINC001217353129 1030330142 /nfs/dbraw/zinc/33/01/42/1030330142.db2.gz DHUAOKGQNOCMHR-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM [O-]c1cnc2ccccc2c1-c1nc(-c2cc(F)c(OC3COC3)c(F)c2)no1 ZINC001217441901 1030395068 /nfs/dbraw/zinc/39/50/68/1030395068.db2.gz QTLBVGMFUUVIRO-UHFFFAOYSA-N -1 3 397.337 3.713 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ncc(Cl)cc4OC)no3)c2c1 ZINC001217499986 1030442553 /nfs/dbraw/zinc/44/25/53/1030442553.db2.gz PSDCORUFXMBNNV-UHFFFAOYSA-N -1 3 384.779 3.723 20 0 GHADHM COc1ccnc(-c2noc(-c3c([O-])cnc4ccc(Br)cc43)n2)c1 ZINC001217501338 1030443695 /nfs/dbraw/zinc/44/36/95/1030443695.db2.gz NGTKIFOABCZQOH-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COc1ccc(-c2noc(-c3c([O-])cnc4ccc(Br)cc43)n2)cn1 ZINC001217500615 1030443881 /nfs/dbraw/zinc/44/38/81/1030443881.db2.gz CTQIJACTMPQMHB-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COc1cccc(C(F)(F)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001150395732 1030514603 /nfs/dbraw/zinc/51/46/03/1030514603.db2.gz SYCKBJFOUXFQQU-UHFFFAOYSA-N -1 3 386.192 3.572 20 0 GHADHM COC(C)(C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150466965 1030536007 /nfs/dbraw/zinc/53/60/07/1030536007.db2.gz AQAJNJWYSUDWIX-HNNXBMFYSA-N -1 3 382.382 3.577 20 0 GHADHM C[C@H](CCCC(C)(C)O)NC(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476346 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TUPSGWGKFNJCNL-UHFFFAOYSA-N -1 3 392.333 3.717 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(C2(C)COC2)cc1 ZINC001151374444 1030887144 /nfs/dbraw/zinc/88/71/44/1030887144.db2.gz ROBLORACRLLGBN-UHFFFAOYSA-N -1 3 378.428 3.885 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001151753835 1030992870 /nfs/dbraw/zinc/99/28/70/1030992870.db2.gz OVJBNTCLECOCAM-IBGZPJMESA-N -1 3 392.814 3.735 20 0 GHADHM O=C(NC[C@H]1CC(=O)c2ccccc2O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001151953427 1031059309 /nfs/dbraw/zinc/05/93/09/1031059309.db2.gz IZXMCVSLOPPZRV-QGZVFWFLSA-N -1 3 389.407 3.948 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)c2ccccc21)C(F)(F)F ZINC001152118108 1031107905 /nfs/dbraw/zinc/10/79/05/1031107905.db2.gz DVWPWSHOALTVJG-VNQPRFMTSA-N -1 3 380.410 3.622 20 0 GHADHM CC(C)NC(=O)COc1cccc(Nc2cccc([O-])c2Br)c1 ZINC001212985607 1031292076 /nfs/dbraw/zinc/29/20/76/1031292076.db2.gz ZCOZHVXDYPFCHU-UHFFFAOYSA-N -1 3 379.254 3.802 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1 ZINC001152612737 1031303840 /nfs/dbraw/zinc/30/38/40/1031303840.db2.gz VWQACMNZOLEOJD-QGZVFWFLSA-N -1 3 392.377 3.810 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)COC(=O)N2 ZINC001219479692 1031449167 /nfs/dbraw/zinc/44/91/67/1031449167.db2.gz YMIRKZRIZOJMHO-UHFFFAOYSA-N -1 3 392.209 3.539 20 0 GHADHM O=C(c1c([O-])ccc2ccccc21)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001153506136 1031622527 /nfs/dbraw/zinc/62/25/27/1031622527.db2.gz RGQPOJAKXCLLOK-SJLPKXTDSA-N -1 3 393.512 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(Oc2cc(C(F)(F)F)[n-]c(=S)n2)CC1 ZINC001225853296 1031653221 /nfs/dbraw/zinc/65/32/21/1031653221.db2.gz OXQIUFQBFMZWFT-UHFFFAOYSA-N -1 3 379.404 3.562 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(O)cc1 ZINC001153801713 1031747141 /nfs/dbraw/zinc/74/71/41/1031747141.db2.gz BHOXSVBWCHZXHD-FQEVSTJZSA-N -1 3 393.395 3.534 20 0 GHADHM O=C(NCc1cccc2cc[nH]c21)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153880915 1031790339 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O=C(Nc1ccn2cc(-c3ccccc3)nc2c1)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154312456 1032037098 /nfs/dbraw/zinc/03/70/98/1032037098.db2.gz AWFBJNLLJCYDDO-UHFFFAOYSA-N -1 3 397.394 3.608 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2cccc([O-])c2Br)C1 ZINC001229140827 1033303738 /nfs/dbraw/zinc/30/37/38/1033303738.db2.gz FZBXXZVDZQXHEJ-MFKMUULPSA-N -1 3 390.249 3.881 20 0 GHADHM Cc1cc(N2CC[C@@H](Oc3cccc([O-])c3Br)C2)nc(Cl)n1 ZINC001229142775 1033304445 /nfs/dbraw/zinc/30/44/45/1033304445.db2.gz QXRIDVNOVIRYCS-SNVBAGLBSA-N -1 3 384.661 3.564 20 0 GHADHM COc1cccc2nc(=O)[n-]c(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)c21 ZINC001229240916 1033362263 /nfs/dbraw/zinc/36/22/63/1033362263.db2.gz FYYWXVOVGPQHKT-BIRHUZIMSA-N -1 3 398.362 3.749 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2ccc3ccnc(Cl)c3c2)c1[O-] ZINC001157025856 1033376250 /nfs/dbraw/zinc/37/62/50/1033376250.db2.gz SEVXRJAVNNXBSY-UHFFFAOYSA-N -1 3 379.794 3.629 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2[nH]c(Cc3ccccn3)nc2c1 ZINC001157032158 1033378771 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DNZZARSACMEBBP-MRXNPFEDSA-N -1 3 393.443 3.619 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001158345594 1034036675 /nfs/dbraw/zinc/03/66/75/1034036675.db2.gz NIJXELZJJRPAAQ-HRAATJIYSA-N -1 3 379.391 3.590 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001158345594 1034036692 /nfs/dbraw/zinc/03/66/92/1034036692.db2.gz NIJXELZJJRPAAQ-HRAATJIYSA-N -1 3 379.391 3.590 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)CCO2 ZINC001230419836 1034043495 /nfs/dbraw/zinc/04/34/95/1034043495.db2.gz ZHNSECDVTDBJKE-LLVKDONJSA-N -1 3 391.265 3.650 20 0 GHADHM C[C@@H]1C[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)CCN1C(=O)OC(C)(C)C ZINC001231074488 1034380391 /nfs/dbraw/zinc/38/03/91/1034380391.db2.gz PFLYRMLWMUJJGY-VXGBXAGGSA-N -1 3 377.416 3.641 20 0 GHADHM CCCc1c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cnn1-c1cccc(F)c1 ZINC001159063773 1034408308 /nfs/dbraw/zinc/40/83/08/1034408308.db2.gz VNOFXQKXLPBXRA-UHFFFAOYSA-N -1 3 379.395 3.798 20 0 GHADHM Cc1ccc(C(F)(F)F)c(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001207658336 1034514377 /nfs/dbraw/zinc/51/43/77/1034514377.db2.gz YSPNBLDZZDBJSU-UHFFFAOYSA-N -1 3 376.342 3.762 20 0 GHADHM Cc1ccc(C(F)(F)F)c(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001207658336 1034514389 /nfs/dbraw/zinc/51/43/89/1034514389.db2.gz YSPNBLDZZDBJSU-UHFFFAOYSA-N -1 3 376.342 3.762 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ncc4cc(Cl)ccn43)n[n-]2)cc1 ZINC001159363516 1034564650 /nfs/dbraw/zinc/56/46/50/1034564650.db2.gz IUDZDIJXCSCRKP-UHFFFAOYSA-N -1 3 398.879 3.959 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001231458680 1034601923 /nfs/dbraw/zinc/60/19/23/1034601923.db2.gz ZQLXUWFFAZOIKZ-HXUWFJFHSA-N -1 3 388.464 3.605 20 0 GHADHM O=C([O-])c1ccc(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)s1 ZINC001231463959 1034607613 /nfs/dbraw/zinc/60/76/13/1034607613.db2.gz XQKSUQLCUWHEGS-UHFFFAOYSA-N -1 3 379.441 3.953 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001159482918 1034614547 /nfs/dbraw/zinc/61/45/47/1034614547.db2.gz NDFUDNVJXXVZBV-INIZCTEOSA-N -1 3 376.497 3.858 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)Cc1cccc2nsnc21 ZINC001159556670 1034663149 /nfs/dbraw/zinc/66/31/49/1034663149.db2.gz KPZXZVPVQYBBAD-UHFFFAOYSA-N -1 3 378.251 3.649 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C[C@@H]1F ZINC001231521610 1034672135 /nfs/dbraw/zinc/67/21/35/1034672135.db2.gz AJGJZOOTDSOQEC-UONOGXRCSA-N -1 3 392.393 3.848 20 0 GHADHM [O-]c1ccc(CN2CCn3cc(CN4CCCCC4)nc3C2)cc1C(F)(F)F ZINC001231523224 1034675034 /nfs/dbraw/zinc/67/50/34/1034675034.db2.gz ZDROMZWAXOBXRV-UHFFFAOYSA-N -1 3 394.441 3.609 20 0 GHADHM CCCCN1CC[C@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277547514 1034815977 /nfs/dbraw/zinc/81/59/77/1034815977.db2.gz GKUKYGPOAYNQIG-GOSISDBHSA-N -1 3 381.314 3.522 20 0 GHADHM CCOC(=O)[C@@H]1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])CCS1 ZINC001231683051 1034833555 /nfs/dbraw/zinc/83/35/55/1034833555.db2.gz VSGNHQQIUOOZIQ-IBGZPJMESA-N -1 3 385.485 3.532 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)ccc1Cl ZINC001231730667 1034868441 /nfs/dbraw/zinc/86/84/41/1034868441.db2.gz KKDJMAJLEBKWBQ-CTNGQTDRSA-N -1 3 388.895 3.891 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC001208476800 1034909788 /nfs/dbraw/zinc/90/97/88/1034909788.db2.gz JHWDZXCYSHPASU-SNVBAGLBSA-N -1 3 392.315 3.868 20 0 GHADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001160347731 1034947775 /nfs/dbraw/zinc/94/77/75/1034947775.db2.gz RCUKXGWICCILLD-CHWSQXEVSA-N -1 3 386.945 3.998 20 0 GHADHM COc1cc(OC)c(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1Cl ZINC001160425307 1034969749 /nfs/dbraw/zinc/96/97/49/1034969749.db2.gz BSFKDGZZOMTIHC-UHFFFAOYSA-N -1 3 394.761 3.729 20 0 GHADHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001160460430 1034981718 /nfs/dbraw/zinc/98/17/18/1034981718.db2.gz YXRNUJXWTRXLPL-KRWDZBQOSA-N -1 3 392.421 3.740 20 0 GHADHM CC1(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCCCC1 ZINC001160484331 1034986960 /nfs/dbraw/zinc/98/69/60/1034986960.db2.gz NAIJFXIIPBGLDS-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160948504 1035102156 /nfs/dbraw/zinc/10/21/56/1035102156.db2.gz LONKIALLSBAMHF-UHFFFAOYSA-N -1 3 383.864 3.840 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160948504 1035102162 /nfs/dbraw/zinc/10/21/62/1035102162.db2.gz LONKIALLSBAMHF-UHFFFAOYSA-N -1 3 383.864 3.840 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1ccco1 ZINC001209011769 1035149805 /nfs/dbraw/zinc/14/98/05/1035149805.db2.gz CEFWLUQJJPUVGJ-LJQANCHMSA-N -1 3 388.489 3.763 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc2c1CCCC2)c1ccco1 ZINC001209013822 1035151238 /nfs/dbraw/zinc/15/12/38/1035151238.db2.gz XRPZBZNRGSEZGZ-SFHVURJKSA-N -1 3 377.506 3.851 20 0 GHADHM COC[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001161241364 1035188770 /nfs/dbraw/zinc/18/87/70/1035188770.db2.gz IUFREAWWUXMDIX-KRWDZBQOSA-N -1 3 392.789 3.577 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C(F)(F)F)c(F)c3C)c2c1=O ZINC001161520707 1035248470 /nfs/dbraw/zinc/24/84/70/1035248470.db2.gz BOHXVFZDZLTUTF-UHFFFAOYSA-N -1 3 396.344 3.772 20 0 GHADHM O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1[O-] ZINC001161710747 1035288964 /nfs/dbraw/zinc/28/89/64/1035288964.db2.gz RZJPLGYEMCAQMA-UHFFFAOYSA-N -1 3 389.293 3.549 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)c([O-])c1 ZINC001161798461 1035304048 /nfs/dbraw/zinc/30/40/48/1035304048.db2.gz XUQPEDBQVFTHOT-FDDCHVKYSA-N -1 3 381.472 3.611 20 0 GHADHM COc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001209603246 1035326848 /nfs/dbraw/zinc/32/68/48/1035326848.db2.gz BVEOIYXIZGTYIJ-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM CCOC(=O)c1csc(-c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC001241445347 1035584387 /nfs/dbraw/zinc/58/43/87/1035584387.db2.gz NLNMCGKIAHUKFT-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM CCOC(=O)c1csc(-c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC001241445347 1035584397 /nfs/dbraw/zinc/58/43/97/1035584397.db2.gz NLNMCGKIAHUKFT-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001248246547 1035692458 /nfs/dbraw/zinc/69/24/58/1035692458.db2.gz XZQJEWKZQMEJDY-ZDUSSCGKSA-N -1 3 381.766 3.940 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001248246522 1035693104 /nfs/dbraw/zinc/69/31/04/1035693104.db2.gz WPFJHTPYSUCVBO-KRWDZBQOSA-N -1 3 384.867 3.938 20 0 GHADHM COc1c(F)c(F)ccc1-c1noc([C@@H](N)Cc2ccc([O-])c(Cl)c2)n1 ZINC001248251128 1035701673 /nfs/dbraw/zinc/70/16/73/1035701673.db2.gz ZTQOLWMBBJPEQB-LBPRGKRZSA-N -1 3 381.766 3.625 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001248394307 1035805910 /nfs/dbraw/zinc/80/59/10/1035805910.db2.gz IFGSJKNNTBVNSE-KFWWJZLASA-N -1 3 397.441 3.805 20 0 GHADHM CC(C)N1CCN(c2ccc(-c3ccc(C(=O)[O-])c(C(F)(F)F)c3)cn2)CC1 ZINC001243156314 1036047524 /nfs/dbraw/zinc/04/75/24/1036047524.db2.gz RZUNWQILZPERTJ-UHFFFAOYSA-N -1 3 393.409 3.996 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cc(Br)ncc1Br ZINC001244734040 1036619510 /nfs/dbraw/zinc/61/95/10/1036619510.db2.gz XHWANXJKEITAQG-UHFFFAOYSA-N -1 3 399.021 3.593 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cc(Br)ncc1Br ZINC001244734040 1036619511 /nfs/dbraw/zinc/61/95/11/1036619511.db2.gz XHWANXJKEITAQG-UHFFFAOYSA-N -1 3 399.021 3.593 20 0 GHADHM CCOc1cc(CN2CCN(c3ccc(F)c(OC)c3)CC2)cc(Cl)c1[O-] ZINC001462152335 1070037961 /nfs/dbraw/zinc/03/79/61/1070037961.db2.gz UKMQCBIQLBOGRM-UHFFFAOYSA-N -1 3 394.874 3.914 20 0 GHADHM Cc1cccc(CN2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1OC(C)C ZINC001232395377 1038180227 /nfs/dbraw/zinc/18/02/27/1038180227.db2.gz VDZCEDWSJZJYLO-KRWDZBQOSA-N -1 3 376.497 3.798 20 0 GHADHM Cc1c(Cl)cccc1-c1noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n1 ZINC001247689158 1038328886 /nfs/dbraw/zinc/32/88/86/1038328886.db2.gz FDOZGTTWTWLQAX-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232941645 1038720825 /nfs/dbraw/zinc/72/08/25/1038720825.db2.gz ZOICJIVJSJMGBP-ZWKOTPCHSA-N -1 3 375.415 3.982 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232971592 1038743918 /nfs/dbraw/zinc/74/39/18/1038743918.db2.gz NMZJDAGYCVGBON-JOCHJYFZSA-N -1 3 384.426 3.571 20 0 GHADHM O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036536 1038792365 /nfs/dbraw/zinc/79/23/65/1038792365.db2.gz RQIGBZWDJZXFAO-SFHVURJKSA-N -1 3 377.897 3.521 20 0 GHADHM Cc1cncc(COCc2cnc3n2CCN(Cc2cccc([O-])c2F)[C@H]3C)c1 ZINC001233052782 1038813077 /nfs/dbraw/zinc/81/30/77/1038813077.db2.gz WBXPHVYQVJDESB-INIZCTEOSA-N -1 3 396.466 3.725 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233393859 1039227499 /nfs/dbraw/zinc/22/74/99/1039227499.db2.gz PCAAHFPEBRVIRV-UHFFFAOYSA-N -1 3 382.451 3.940 20 0 GHADHM [O-]c1ccc(F)c(CN2CCc3c(COCc4ccccn4)cncc3C2)c1F ZINC001233394616 1039228326 /nfs/dbraw/zinc/22/83/26/1039228326.db2.gz UFHVQUFNDHFXIQ-UHFFFAOYSA-N -1 3 397.425 3.736 20 0 GHADHM O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1 ZINC001233394754 1039228376 /nfs/dbraw/zinc/22/83/76/1039228376.db2.gz YTCSTUJQFBXBHL-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3c(F)ccc([O-])c3F)C2)CC1 ZINC001233396312 1039230843 /nfs/dbraw/zinc/23/08/43/1039230843.db2.gz VYPYRURCHGEPEW-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM COc1ccc(CN2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398759 1039235577 /nfs/dbraw/zinc/23/55/77/1039235577.db2.gz XWFCFQXKWNSQNJ-UONOGXRCSA-N -1 3 382.888 3.638 20 0 GHADHM COc1ccc(CN2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398288 1039235944 /nfs/dbraw/zinc/23/59/44/1039235944.db2.gz GLZLKYCILCKSKR-LJQANCHMSA-N -1 3 382.888 3.640 20 0 GHADHM COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)c(Cl)c1[O-] ZINC001233399710 1039238556 /nfs/dbraw/zinc/23/85/56/1039238556.db2.gz HBXKZVYVFBJTJG-UHFFFAOYSA-N -1 3 389.908 3.986 20 0 GHADHM COc1ccc(CN(C)Cc2cc(OC)c(OC)c(OC)c2)c(Cl)c1[O-] ZINC001233400695 1039239865 /nfs/dbraw/zinc/23/98/65/1039239865.db2.gz UISKYFDBHVEOAA-UHFFFAOYSA-N -1 3 381.856 3.712 20 0 GHADHM COc1ccc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(Cl)c1[O-] ZINC001233400573 1039241436 /nfs/dbraw/zinc/24/14/36/1039241436.db2.gz OLFCIQCJYPZENM-UHFFFAOYSA-N -1 3 384.904 3.886 20 0 GHADHM CCN1CC[C@H](Oc2cc(C(=O)OC(C)(C)C)cc([O-])c2Br)C1 ZINC001233527738 1039414486 /nfs/dbraw/zinc/41/44/86/1039414486.db2.gz CBLZCMWMKXJOGF-LBPRGKRZSA-N -1 3 386.286 3.583 20 0 GHADHM CN1CCC[C@@H](Oc2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)CC1 ZINC001233813892 1039636494 /nfs/dbraw/zinc/63/64/94/1039636494.db2.gz MRYMGXKXQJHWMF-MRXNPFEDSA-N -1 3 381.428 3.734 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1OC1COC1 ZINC001254159915 1040013890 /nfs/dbraw/zinc/01/38/90/1040013890.db2.gz DNOFJZPPGNYNFF-UHFFFAOYSA-N -1 3 391.489 3.507 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001254323159 1040171983 /nfs/dbraw/zinc/17/19/83/1040171983.db2.gz HMABZPCWNJRFDS-CYBMUJFWSA-N -1 3 399.312 3.993 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cccc([O-])c1F ZINC001254390129 1040204730 /nfs/dbraw/zinc/20/47/30/1040204730.db2.gz GQIQGLVOHIYHAU-SFHVURJKSA-N -1 3 394.402 3.737 20 0 GHADHM CNC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)c1 ZINC001254619703 1040390849 /nfs/dbraw/zinc/39/08/49/1040390849.db2.gz SFQXLICKLCQXLD-UHFFFAOYSA-N -1 3 396.468 3.948 20 0 GHADHM COC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001254786013 1040544666 /nfs/dbraw/zinc/54/46/66/1040544666.db2.gz BTBYEOIROIQBHH-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cccc([O-])c2Cl)N1CCC(F)(F)F ZINC001277919538 1040544796 /nfs/dbraw/zinc/54/47/96/1040544796.db2.gz XYDXDUVNXAOTAN-CHWSQXEVSA-N -1 3 376.806 3.563 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)C(F)(F)F)c1 ZINC001254800558 1040562351 /nfs/dbraw/zinc/56/23/51/1040562351.db2.gz MXDMGXXWOXVULR-UHFFFAOYSA-N -1 3 375.343 3.988 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2ccccc2F)cc1F ZINC001255497197 1041091555 /nfs/dbraw/zinc/09/15/55/1041091555.db2.gz IIFYRPOGOPIDMI-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2)cc1Br ZINC001255581063 1041143382 /nfs/dbraw/zinc/14/33/82/1041143382.db2.gz YXABMWLPDCBGGN-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1COc2ccc(F)cc2C1 ZINC001255747215 1041269962 /nfs/dbraw/zinc/26/99/62/1041269962.db2.gz PNYQIPYMWSJFHM-ZDUSSCGKSA-N -1 3 378.363 3.547 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)O1 ZINC001462531895 1070334838 /nfs/dbraw/zinc/33/48/38/1070334838.db2.gz HBMXKMGSZVMIEX-ZHRRBRCNSA-N -1 3 388.458 3.536 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(Br)cc1)c1ccc(F)cc1F ZINC001255977212 1041451957 /nfs/dbraw/zinc/45/19/57/1041451957.db2.gz KDRMOIKLLMUUJV-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1cc(C)c(Cl)cc1C ZINC001256147912 1041588805 /nfs/dbraw/zinc/58/88/05/1041588805.db2.gz OVVKNJWCLUGCRO-UHFFFAOYSA-N -1 3 376.265 3.518 20 0 GHADHM CCOC(=O)CN(Cc1ccccc1)Cc1ccc(Br)c([O-])c1 ZINC001236692852 1041835503 /nfs/dbraw/zinc/83/55/03/1041835503.db2.gz UFRZZACPZVGVPN-UHFFFAOYSA-N -1 3 378.266 3.720 20 0 GHADHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237150039 1042065392 /nfs/dbraw/zinc/06/53/92/1042065392.db2.gz DQKGJNVGHAEXNX-UHFFFAOYSA-N -1 3 375.922 3.724 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)s1 ZINC001237151714 1042065494 /nfs/dbraw/zinc/06/54/94/1042065494.db2.gz YNJQJTMWQPUHLF-AWEZNQCLSA-N -1 3 386.945 3.547 20 0 GHADHM [S-]c1ccoc1CN1CCc2c(c(COc3ccccn3)nn2CC2CC2)C1 ZINC001237177247 1042079876 /nfs/dbraw/zinc/07/98/76/1042079876.db2.gz ATHGISGKCQFLBZ-UHFFFAOYSA-N -1 3 396.516 3.707 20 0 GHADHM [O-]c1cc(F)cc(CN2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)c1 ZINC001237277837 1042119404 /nfs/dbraw/zinc/11/94/04/1042119404.db2.gz HKCFIOSTDDVVQR-UHFFFAOYSA-N -1 3 385.483 3.623 20 0 GHADHM 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3.578 20 0 GHADHM CC(C)(CCS(=O)(=O)[N-][C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)C1CC1 ZINC001309816818 1050987054 /nfs/dbraw/zinc/98/70/54/1050987054.db2.gz MJSVUSTVBFELNT-QZTJIDSGSA-N -1 3 381.538 3.625 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1c(Cl)cccc1Cl ZINC001309837159 1050996985 /nfs/dbraw/zinc/99/69/85/1050996985.db2.gz QXDMWZMLRIENSD-KCJUWKMLSA-N -1 3 392.226 3.772 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cc(Cl)cc2c1OCC2 ZINC001309893532 1051028133 /nfs/dbraw/zinc/02/81/33/1051028133.db2.gz ZYPSURVWUJUEHX-QMMMGPOBSA-N -1 3 391.798 3.732 20 0 GHADHM NC(=O)CCc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC001330615128 1051041917 /nfs/dbraw/zinc/04/19/17/1051041917.db2.gz OTGXAHAFRZXGHT-UHFFFAOYSA-N -1 3 376.412 3.855 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2c(F)cc(F)cc2C1)c1cccc(Cl)c1Cl ZINC001309941427 1051061829 /nfs/dbraw/zinc/06/18/29/1051061829.db2.gz ACRQECPNANFETR-JTQLQIEISA-N -1 3 394.226 3.554 20 0 GHADHM O=S(=O)([N-]C1CC2(CC2(F)F)C1)c1cc(Cl)cc(Br)c1 ZINC001333161951 1051678117 /nfs/dbraw/zinc/67/81/17/1051678117.db2.gz HGSHSALNAFQZIJ-UHFFFAOYSA-N -1 3 386.645 3.569 20 0 GHADHM CN(C)c1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(C(F)(F)F)c1 ZINC000905738480 1051818868 /nfs/dbraw/zinc/81/88/68/1051818868.db2.gz ICMJIKSLNRKJLU-GFCCVEGCSA-N -1 3 399.438 3.916 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)s1 ZINC001335730653 1052158269 /nfs/dbraw/zinc/15/82/69/1052158269.db2.gz NTBISTSTCMSNSS-UHFFFAOYSA-N -1 3 392.435 3.991 20 0 GHADHM COc1cc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(C)c1C ZINC001337274531 1052437394 /nfs/dbraw/zinc/43/73/94/1052437394.db2.gz LBSMFHFIQAYBES-UHFFFAOYSA-N -1 3 396.896 3.898 20 0 GHADHM O=C([N-]c1c(F)cccc1F)c1cn(-c2ccc(Br)cc2)nn1 ZINC001317801062 1054261083 /nfs/dbraw/zinc/26/10/83/1054261083.db2.gz MSGDHOHRMJXZIO-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C2CCCCC2)ccc1F ZINC001318218591 1054507109 /nfs/dbraw/zinc/50/71/09/1054507109.db2.gz VCOWGBIMTAHBPK-UHFFFAOYSA-N -1 3 384.517 3.601 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cnn(CC)c3)nc(=O)c2c1C ZINC001318425035 1054630820 /nfs/dbraw/zinc/63/08/20/1054630820.db2.gz INAFNPCSAPQBKG-IZZDOVSWSA-N -1 3 392.868 3.835 20 0 GHADHM O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Br)ccc1[O-] ZINC001319034771 1055001251 /nfs/dbraw/zinc/00/12/51/1055001251.db2.gz HGNGWGQDWFCMGB-UHFFFAOYSA-N -1 3 388.221 3.776 20 0 GHADHM C[C@@H](CCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345746528 1055239188 /nfs/dbraw/zinc/23/91/88/1055239188.db2.gz TUWHHRPGOVBHNE-YADARESESA-N -1 3 394.515 3.806 20 0 GHADHM C[C@H]1CC[C@](NC(=O)c2cccc(CN3CCCC3)c2)(C(=O)[O-])c2ccccc21 ZINC001345805662 1055268034 /nfs/dbraw/zinc/26/80/34/1055268034.db2.gz DEGJZVSJXXHOBU-BXKMTCNYSA-N -1 3 392.499 3.890 20 0 GHADHM CC(C)c1cc(NCc2c(F)cccc2[N-]S(C)(=O)=O)nc(C(C)C)n1 ZINC001319655511 1055380933 /nfs/dbraw/zinc/38/09/33/1055380933.db2.gz IAFRMYIFLKWCPI-UHFFFAOYSA-N -1 3 380.489 3.846 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)c1F ZINC001200676747 1056704125 /nfs/dbraw/zinc/70/41/25/1056704125.db2.gz WPLZRAXWIBKAHL-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c(F)c1 ZINC000848456523 1057099429 /nfs/dbraw/zinc/09/94/29/1057099429.db2.gz HGFIZKJJLKNGBW-UHFFFAOYSA-N -1 3 393.436 3.722 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C ZINC001325293238 1057307432 /nfs/dbraw/zinc/30/74/32/1057307432.db2.gz WPVOLQPBYZZADN-VIFPVBQESA-N -1 3 387.274 3.562 20 0 GHADHM COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1cc(CN(C)C)on1 ZINC001337872253 1058305862 /nfs/dbraw/zinc/30/58/62/1058305862.db2.gz ORPGKCXCGLTQBW-UHFFFAOYSA-N -1 3 399.472 3.812 20 0 GHADHM CCN(Cc1ccccc1F)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001338193342 1058445947 /nfs/dbraw/zinc/44/59/47/1058445947.db2.gz BUCYNQWEMVWMBP-UHFFFAOYSA-N -1 3 394.450 3.673 20 0 GHADHM O=C(N[C@@H]1CCCc2occc21)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001440328435 1058495576 /nfs/dbraw/zinc/49/55/76/1058495576.db2.gz NCGGLYCKZAZRTC-CYBMUJFWSA-N -1 3 392.333 3.827 20 0 GHADHM CCc1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1[O-] ZINC001440411457 1058513969 /nfs/dbraw/zinc/51/39/69/1058513969.db2.gz QPYWAIJIWRSBFY-UHFFFAOYSA-N -1 3 378.394 3.936 20 0 GHADHM CN(CCOc1cccc(Cl)c1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001440716183 1058598942 /nfs/dbraw/zinc/59/89/42/1058598942.db2.gz ZCFCDEGJKHTSJF-UHFFFAOYSA-N -1 3 392.789 3.611 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(N2CCOC2=O)ccc1F ZINC001338757496 1058767300 /nfs/dbraw/zinc/76/73/00/1058767300.db2.gz MNESSGWAWOHPAV-UHFFFAOYSA-N -1 3 376.359 3.588 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC001442667571 1058991354 /nfs/dbraw/zinc/99/13/54/1058991354.db2.gz OCUWLJIOWCXUOZ-FQEVSTJZSA-N -1 3 394.515 3.610 20 0 GHADHM Cc1ccc(Oc2ccccc2CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001443448533 1059132935 /nfs/dbraw/zinc/13/29/35/1059132935.db2.gz KDSXEBQFKJYQFH-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM Cc1ccc(Oc2ccccc2CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001443448533 1059132943 /nfs/dbraw/zinc/13/29/43/1059132943.db2.gz KDSXEBQFKJYQFH-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001339411485 1059186648 /nfs/dbraw/zinc/18/66/48/1059186648.db2.gz MSEMBPYUDPITGU-UHFFFAOYSA-N -1 3 394.410 3.573 20 0 GHADHM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444733075 1059369887 /nfs/dbraw/zinc/36/98/87/1059369887.db2.gz WVIHYKOTTPNIIA-UHFFFAOYSA-N -1 3 389.430 3.971 20 0 GHADHM O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([O-])cc(Br)c1 ZINC001444807538 1059384464 /nfs/dbraw/zinc/38/44/64/1059384464.db2.gz FMTQAWMQOMTNQK-UHFFFAOYSA-N -1 3 395.200 3.603 20 0 GHADHM CCC(C)(C)c1ccccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001445645968 1059585729 /nfs/dbraw/zinc/58/57/29/1059585729.db2.gz MXGVFQTVSQVULS-UHFFFAOYSA-N -1 3 380.488 3.678 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001446144575 1059712493 /nfs/dbraw/zinc/71/24/93/1059712493.db2.gz ZFFAEWSTSRPQHL-UHFFFAOYSA-N -1 3 396.393 3.782 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340173797 1059742554 /nfs/dbraw/zinc/74/25/54/1059742554.db2.gz HYEKTQNMFVPNPQ-WMLDXEAASA-N -1 3 399.532 3.601 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001446827236 1059874556 /nfs/dbraw/zinc/87/45/56/1059874556.db2.gz RCQBINJBBVMXSK-NSPYISDASA-N -1 3 388.826 3.827 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CSC(c2ccccc2)=N1 ZINC001447277561 1059943530 /nfs/dbraw/zinc/94/35/30/1059943530.db2.gz LNNDTEHPVZMKPU-ZDUSSCGKSA-N -1 3 377.263 3.655 20 0 GHADHM O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)Nc1ccc(Cl)cc1[O-] ZINC001447287418 1059943570 /nfs/dbraw/zinc/94/35/70/1059943570.db2.gz LEGPDUJBQOGLGE-NSHDSACASA-N -1 3 395.640 3.873 20 0 GHADHM O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC001447277829 1059943866 /nfs/dbraw/zinc/94/38/66/1059943866.db2.gz NNILMQFEVLXIBF-SNVBAGLBSA-N -1 3 375.222 3.609 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001448597995 1060226551 /nfs/dbraw/zinc/22/65/51/1060226551.db2.gz YECJCCOPACVRQH-SFHVURJKSA-N -1 3 382.504 3.586 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449763259 1060458886 /nfs/dbraw/zinc/45/88/86/1060458886.db2.gz ZKMUROSXCSGDHH-UHFFFAOYSA-N -1 3 376.478 3.735 20 0 GHADHM Cc1cn2cc(CC(=O)Nc3c([O-])ccc(Br)c3C)nc2s1 ZINC001450227537 1060556433 /nfs/dbraw/zinc/55/64/33/1060556433.db2.gz QYMNPKHASSABTF-UHFFFAOYSA-N -1 3 380.267 3.662 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1ccc(I)cc1 ZINC001450378737 1060582844 /nfs/dbraw/zinc/58/28/44/1060582844.db2.gz XYTHTAGFSWGXSI-GFCCVEGCSA-N -1 3 391.249 3.544 20 0 GHADHM O=C(Nc1cc(C2CC2)ccn1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001450628550 1060639045 /nfs/dbraw/zinc/63/90/45/1060639045.db2.gz NMTSYBQSLSTKTG-UHFFFAOYSA-N -1 3 389.333 3.951 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)Cc3ccc(C4CCCCC4)cc3)cc2n(C)c1=O ZINC001450665949 1060648140 /nfs/dbraw/zinc/64/81/40/1060648140.db2.gz BJFHNYUKPVVZFY-UHFFFAOYSA-N -1 3 393.487 3.812 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)cc1[O-] ZINC001450834469 1060703376 /nfs/dbraw/zinc/70/33/76/1060703376.db2.gz MVNLLTNAUMZKBH-UHFFFAOYSA-N -1 3 394.402 3.505 20 0 GHADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001452118147 1060902759 /nfs/dbraw/zinc/90/27/59/1060902759.db2.gz YMSISPDTELXQML-GFCCVEGCSA-N -1 3 398.467 3.641 20 0 GHADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001452118147 1060902762 /nfs/dbraw/zinc/90/27/62/1060902762.db2.gz YMSISPDTELXQML-GFCCVEGCSA-N -1 3 398.467 3.641 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1C ZINC001452722560 1060993771 /nfs/dbraw/zinc/99/37/71/1060993771.db2.gz APQKAEWSQVDENK-QGZVFWFLSA-N -1 3 389.455 3.593 20 0 GHADHM CC1CCN(c2ccc(NC(=O)CCC(=O)[N-]Oc3ccc(F)cc3)cc2)CC1 ZINC001453039966 1061069414 /nfs/dbraw/zinc/06/94/14/1061069414.db2.gz XJJQZUDWLUHWOB-UHFFFAOYSA-N -1 3 399.466 3.891 20 0 GHADHM COC(=O)c1ccc(F)c2c1CN(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001453467663 1061135295 /nfs/dbraw/zinc/13/52/95/1061135295.db2.gz AAGXKKZYTSDNSD-UHFFFAOYSA-N -1 3 385.416 3.731 20 0 GHADHM CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)CC1 ZINC001345949671 1061234716 /nfs/dbraw/zinc/23/47/16/1061234716.db2.gz XYDWYUGNYPYDSS-OAHLLOKOSA-N -1 3 398.536 3.875 20 0 GHADHM Cc1c(NC(=O)[C@@H]2CCCN2CC(C)C)cc(Br)cc1C(=O)[O-] ZINC001346310437 1061509737 /nfs/dbraw/zinc/50/97/37/1061509737.db2.gz CDEAWVGCQFAKEC-HNNXBMFYSA-N -1 3 383.286 3.515 20 0 GHADHM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001347094707 1062110498 /nfs/dbraw/zinc/11/04/98/1062110498.db2.gz TZUXDDSKRFEYGZ-GFCCVEGCSA-N -1 3 398.916 3.767 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001435358150 1062540033 /nfs/dbraw/zinc/54/00/33/1062540033.db2.gz QHGNSCKYCAGNEX-LLVKDONJSA-N -1 3 391.349 3.854 20 0 GHADHM CC(C)C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)OC(C)(C)C ZINC001435522455 1062705368 /nfs/dbraw/zinc/70/53/68/1062705368.db2.gz ZKJKVCFUNDJHPW-CQSZACIVSA-N -1 3 377.378 3.929 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccccc4nc3Cl)nc21 ZINC001435633201 1062796835 /nfs/dbraw/zinc/79/68/35/1062796835.db2.gz SWNWBXAPCYWRIF-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM O=C(N[C@H]([C@H]1CCOC1)C(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456726816 1062826044 /nfs/dbraw/zinc/82/60/44/1062826044.db2.gz NJWUNKBRTPUPPI-QFBILLFUSA-N -1 3 393.405 3.875 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001435695777 1062858144 /nfs/dbraw/zinc/85/81/44/1062858144.db2.gz AXDZZCQMAPQDQS-UHFFFAOYSA-N -1 3 396.379 3.580 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)s1 ZINC001456800034 1062866311 /nfs/dbraw/zinc/86/63/11/1062866311.db2.gz MMCGBTSHSYKKLJ-UHFFFAOYSA-N -1 3 398.488 3.982 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)s1 ZINC001456800034 1062866330 /nfs/dbraw/zinc/86/63/30/1062866330.db2.gz MMCGBTSHSYKKLJ-UHFFFAOYSA-N -1 3 398.488 3.982 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](C)[C@H]3c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001348177182 1062945910 /nfs/dbraw/zinc/94/59/10/1062945910.db2.gz BACRTYZNPMBBER-VLIAUNLRSA-N -1 3 390.491 3.747 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)c(C(=O)OCC)[n-]1 ZINC001435887532 1062982233 /nfs/dbraw/zinc/98/22/33/1062982233.db2.gz SWTJAKMTOHPIBU-UHFFFAOYSA-N -1 3 395.362 3.503 20 0 GHADHM CCCCc1nc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)OCC)[n-]1 ZINC001435888054 1062983029 /nfs/dbraw/zinc/98/30/29/1062983029.db2.gz WTSOSNHUYPSZHK-UHFFFAOYSA-N -1 3 379.844 3.600 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CCn3cnc4ccccc43)n[n-]2)cc1 ZINC001457163357 1062994316 /nfs/dbraw/zinc/99/43/16/1062994316.db2.gz SXFVMUAVKFBZDU-UHFFFAOYSA-N -1 3 392.488 3.784 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nnc(SCc2cccs2)s1 ZINC001457553220 1063242276 /nfs/dbraw/zinc/24/22/76/1063242276.db2.gz HNZIOFAHEUQFKE-UHFFFAOYSA-N -1 3 381.479 3.918 20 0 GHADHM CCCCOc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c([O-])c1 ZINC001457568970 1063253032 /nfs/dbraw/zinc/25/30/32/1063253032.db2.gz CNKWFOJKOOWVLF-UHFFFAOYSA-N -1 3 397.397 3.827 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cn2cc(C)ccc2n1 ZINC001436245470 1063323720 /nfs/dbraw/zinc/32/37/20/1063323720.db2.gz BHJCCXLVMIHOJE-UHFFFAOYSA-N -1 3 390.399 3.727 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001458034029 1063515402 /nfs/dbraw/zinc/51/54/02/1063515402.db2.gz QBYPDHCDAALUMY-UHFFFAOYSA-N -1 3 387.395 3.569 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)cs2)no1 ZINC001349114524 1063554667 /nfs/dbraw/zinc/55/46/67/1063554667.db2.gz XJQLTVVPBSEPEM-UHFFFAOYSA-N -1 3 375.431 3.559 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccnc4cc(Cl)ccc43)nc21 ZINC001458166666 1063622639 /nfs/dbraw/zinc/62/26/39/1063622639.db2.gz JZCKQGHZPIFZLV-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM Cc1cc(C(=O)[N-]c2c(F)cc(I)cc2F)ns1 ZINC001436742532 1063635143 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GHADHM CC(C)CSCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001463461037 1064372842 /nfs/dbraw/zinc/37/28/42/1064372842.db2.gz BHQXDOQWNDUAJD-UHFFFAOYSA-N -1 3 386.764 3.770 20 0 GHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)[C@@H]1C ZINC001463623988 1064508395 /nfs/dbraw/zinc/50/83/95/1064508395.db2.gz MVXUHIUPHSNMHA-UTUOFQBUSA-N -1 3 378.307 3.939 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cccnc2Cl)CCC(c2ccccc2)CC1 ZINC001463669971 1064541347 /nfs/dbraw/zinc/54/13/47/1064541347.db2.gz WBANYNBATZBCEG-UHFFFAOYSA-N -1 3 394.924 3.756 20 0 GHADHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc(Cl)c4nonc43)CC2)c(C)c1 ZINC001463771783 1064602654 /nfs/dbraw/zinc/60/26/54/1064602654.db2.gz BQSVTJAGXJSZAR-UHFFFAOYSA-N -1 3 391.880 3.503 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCc2ccccc21)c1ccc(Br)s1 ZINC001463796649 1064626279 /nfs/dbraw/zinc/62/62/79/1064626279.db2.gz UPSPKZAPJPSVJB-LBPRGKRZSA-N -1 3 386.336 3.909 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C1(CO)CCCC1 ZINC001463841590 1064663367 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20 0 GHADHM COC(=O)[C@H](CNC(=O)c1c(C)cccc1[O-])Cc1cccc2ccccc21 ZINC001465038186 1065345247 /nfs/dbraw/zinc/34/52/47/1065345247.db2.gz OUUWUFPKBPKWEJ-SFHVURJKSA-N -1 3 377.440 3.616 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1nc2ccccc2s1 ZINC001465205220 1065459956 /nfs/dbraw/zinc/45/99/56/1065459956.db2.gz QHDGHRIYKCULFE-SECBINFHSA-N -1 3 385.395 3.907 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(c2ccccc2F)CC1 ZINC001465256954 1065504240 /nfs/dbraw/zinc/50/42/40/1065504240.db2.gz BKDMTIMHAVFNBP-UHFFFAOYSA-N -1 3 386.373 3.965 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001465343745 1065554962 /nfs/dbraw/zinc/55/49/62/1065554962.db2.gz IOKLXONAVDEAKP-VGOFRKELSA-N -1 3 382.504 3.535 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001465468719 1065640695 /nfs/dbraw/zinc/64/06/95/1065640695.db2.gz ZCJNORZMKGKGNT-ZETCQYMHSA-N -1 3 397.279 3.647 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2csc(-c3cccc4ccccc43)n2)n1 ZINC001300202032 1065673913 /nfs/dbraw/zinc/67/39/13/1065673913.db2.gz SRHIHVKVZASJJM-UHFFFAOYSA-N -1 3 376.441 3.697 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000847583198 1065678980 /nfs/dbraw/zinc/67/89/80/1065678980.db2.gz YPTFFSOAEZFUIW-MJGOQNOKSA-N -1 3 381.476 3.568 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@H]1C(C)(C)C ZINC001465554924 1065711432 /nfs/dbraw/zinc/71/14/32/1065711432.db2.gz ANKMAVXKHMOFND-HNNXBMFYSA-N -1 3 395.459 3.643 20 0 GHADHM Cc1nc(C)c(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)s1 ZINC001465685009 1065790262 /nfs/dbraw/zinc/79/02/62/1065790262.db2.gz HHYNSZBELUIXPE-UHFFFAOYSA-N -1 3 378.251 3.616 20 0 GHADHM CO[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1Cl ZINC001465815623 1065874569 /nfs/dbraw/zinc/87/45/69/1065874569.db2.gz SFSAOZAKWQQWHN-MRXNPFEDSA-N -1 3 391.254 3.952 20 0 GHADHM CCn1c2ccc(Br)cc2nc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001466163481 1066005785 /nfs/dbraw/zinc/00/57/85/1066005785.db2.gz RKMWKTIUFPNSJI-UHFFFAOYSA-N -1 3 392.228 3.845 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1Cc2ccccc2C(F)(F)C1 ZINC001466191884 1066025388 /nfs/dbraw/zinc/02/53/88/1066025388.db2.gz PGPJOQWLXHWMDX-UHFFFAOYSA-N -1 3 376.309 3.554 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c(Cl)c1 ZINC001353609613 1066081186 /nfs/dbraw/zinc/08/11/86/1066081186.db2.gz TZSGJVQSAKJJMU-UHFFFAOYSA-N -1 3 398.834 3.516 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)c1ccccc1C(F)(F)F ZINC001466633291 1066224411 /nfs/dbraw/zinc/22/44/11/1066224411.db2.gz VYRUSAWNGHGRJO-ZDUSSCGKSA-N -1 3 390.155 3.846 20 0 GHADHM CCSc1cccc(F)c1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001466740057 1066288237 /nfs/dbraw/zinc/28/82/37/1066288237.db2.gz KEDZJKRRGYMJNF-ZETCQYMHSA-N -1 3 377.367 3.957 20 0 GHADHM CC(C)(C)OCc1cccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001467395546 1067272329 /nfs/dbraw/zinc/27/23/29/1067272329.db2.gz QYTCHQNNMSBJPV-UHFFFAOYSA-N -1 3 380.452 3.750 20 0 GHADHM CC(C)(C)OCc1cccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001467395546 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O=C(NCCOc1ccc(F)c(Cl)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001468210156 1067632841 /nfs/dbraw/zinc/63/28/41/1067632841.db2.gz UVEKMZLCDOKWSE-UHFFFAOYSA-N -1 3 395.217 3.783 20 0 GHADHM Cc1ccc(C2(CNC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CC2)c(C)c1 ZINC001468471817 1067743900 /nfs/dbraw/zinc/74/39/00/1067743900.db2.gz XNWASZKNYGHRCX-UHFFFAOYSA-N -1 3 382.410 3.885 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)c1[O-] ZINC001468600493 1067786109 /nfs/dbraw/zinc/78/61/09/1067786109.db2.gz DNOXEEIBRWHCEN-LJQANCHMSA-N -1 3 398.459 3.874 20 0 GHADHM O=C(Cc1csc2ccc(Br)cc12)[N-]OCc1ccccn1 ZINC001468834214 1067904559 /nfs/dbraw/zinc/90/45/59/1067904559.db2.gz ZMTBARCDMBBGDQ-UHFFFAOYSA-N -1 3 377.263 3.849 20 0 GHADHM CCC[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCC1 ZINC001468901501 1067922972 /nfs/dbraw/zinc/92/29/72/1067922972.db2.gz ULEUREDUOOCLLR-HNNXBMFYSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1oc(C(=O)[N-]c2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1CO ZINC001469037072 1067960043 /nfs/dbraw/zinc/96/00/43/1067960043.db2.gz LBELXOSDARTBAT-UHFFFAOYSA-N -1 3 397.378 3.794 20 0 GHADHM C[C@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCOC2(CCC2)C1 ZINC001469401067 1068145419 /nfs/dbraw/zinc/14/54/19/1068145419.db2.gz DJJCTZQLJZXNGI-KRWDZBQOSA-N -1 3 397.313 3.693 20 0 GHADHM CCc1ccc2c(c1)CCN2C(=O)NCc1ccc([O-])c(Br)c1 ZINC001469403173 1068146093 /nfs/dbraw/zinc/14/60/93/1068146093.db2.gz RWLPVBSJHIZXMT-UHFFFAOYSA-N -1 3 375.266 3.989 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001477988127 1078658871 /nfs/dbraw/zinc/65/88/71/1078658871.db2.gz BDINHTRNOFRILI-UHFFFAOYSA-N -1 3 398.356 3.814 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001469480605 1068184344 /nfs/dbraw/zinc/18/43/44/1068184344.db2.gz ZJUMWHDTDRGJDD-RBBKRZOGSA-N -1 3 385.479 3.839 20 0 GHADHM COc1cccc(Sc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)nc2)c1 ZINC001469759035 1068365799 /nfs/dbraw/zinc/36/57/99/1068365799.db2.gz MSMFQRJJLLCRGY-UHFFFAOYSA-N -1 3 394.456 3.867 20 0 GHADHM O=C(NCc1cc(Cl)ccc1I)c1ccccc1[O-] ZINC001470074614 1068557838 /nfs/dbraw/zinc/55/78/38/1068557838.db2.gz IWTJTNYBEOEGJR-UHFFFAOYSA-N -1 3 387.604 3.580 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN(c4cccc(F)c4)C[C@@H]3C)cc(=O)oc12 ZINC001460180516 1068838550 /nfs/dbraw/zinc/83/85/50/1068838550.db2.gz UBEWKUXZTPONRI-AWEZNQCLSA-N -1 3 382.435 3.657 20 0 GHADHM CC1(C)CC[C@H](NCC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@H](c2ccccc2)C1 ZINC001460668364 1069072882 /nfs/dbraw/zinc/07/28/82/1069072882.db2.gz DAPSOFNDEPURTO-MSOLQXFVSA-N -1 3 397.544 3.961 20 0 GHADHM O=C(NC[C@H]1CCCN1CC(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001471756392 1073209538 /nfs/dbraw/zinc/20/95/38/1073209538.db2.gz ZDOMUETZZIZYIW-QGZVFWFLSA-N -1 3 392.421 3.740 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)[n-]n1 ZINC001472091107 1073330564 /nfs/dbraw/zinc/33/05/64/1073330564.db2.gz OBPOWYJBMCPPCY-NEPJUHHUSA-N -1 3 397.353 3.616 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n[n-]1 ZINC001472091107 1073330572 /nfs/dbraw/zinc/33/05/72/1073330572.db2.gz OBPOWYJBMCPPCY-NEPJUHHUSA-N -1 3 397.353 3.616 20 0 GHADHM Cc1cc(C)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1Br ZINC001472111172 1073337964 /nfs/dbraw/zinc/33/79/64/1073337964.db2.gz NSVRGCPWCUTMKX-MRVPVSSYSA-N -1 3 391.191 3.694 20 0 GHADHM COCC(=O)N1CCCc2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cc21 ZINC001472136040 1073342298 /nfs/dbraw/zinc/34/22/98/1073342298.db2.gz ZGYBYTKXKZAZNJ-UHFFFAOYSA-N -1 3 390.439 3.723 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)n[n-]2)cc1 ZINC001472355932 1073441720 /nfs/dbraw/zinc/44/17/20/1073441720.db2.gz YDBGIBIKQWPZDU-INIZCTEOSA-N -1 3 394.456 3.646 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)c1cnn[n-]1 ZINC001472594140 1073566133 /nfs/dbraw/zinc/56/61/33/1073566133.db2.gz RKVCYKVMYPSZHR-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)c1c[n-]nn1 ZINC001472594140 1073566146 /nfs/dbraw/zinc/56/61/46/1073566146.db2.gz RKVCYKVMYPSZHR-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)c1cn[n-]n1 ZINC001472594140 1073566160 /nfs/dbraw/zinc/56/61/60/1073566160.db2.gz RKVCYKVMYPSZHR-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccnc(F)c1 ZINC001473144540 1073805246 /nfs/dbraw/zinc/80/52/46/1073805246.db2.gz WJCQYEJIPBHEBK-UHFFFAOYSA-N -1 3 385.464 3.654 20 0 GHADHM CCc1cc2c(CN3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC001473502543 1073991958 /nfs/dbraw/zinc/99/19/58/1073991958.db2.gz RZVRLXBIMLTEJY-LJQANCHMSA-N -1 3 399.409 3.993 20 0 GHADHM COC(=O)[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1cccc2ccccc21 ZINC001473801684 1074148604 /nfs/dbraw/zinc/14/86/04/1074148604.db2.gz QZMHMDBWCDOFIA-FQEVSTJZSA-N -1 3 389.411 3.599 20 0 GHADHM COc1ccc(NCc2cccc(Oc3ccccn3)c2)cc1[N-]S(C)(=O)=O ZINC001474051965 1074248665 /nfs/dbraw/zinc/24/86/65/1074248665.db2.gz PXYCANMHEYFZPK-UHFFFAOYSA-N -1 3 399.472 3.866 20 0 GHADHM COc1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC001474349773 1074356743 /nfs/dbraw/zinc/35/67/43/1074356743.db2.gz BTSRSQUZJBYSPZ-UHFFFAOYSA-N -1 3 386.473 3.721 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC001474778945 1074557447 /nfs/dbraw/zinc/55/74/47/1074557447.db2.gz IZNFHASIHQLPSQ-OUCADQQQSA-N -1 3 381.519 3.791 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC001474906089 1074625361 /nfs/dbraw/zinc/62/53/61/1074625361.db2.gz SOMIDZOZJKGPEG-MNOVXSKESA-N -1 3 394.306 3.701 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC001474980087 1074665113 /nfs/dbraw/zinc/66/51/13/1074665113.db2.gz BBNROPSDWYXYIO-STQMWFEESA-N -1 3 386.336 3.729 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c1 ZINC001474985049 1074668460 /nfs/dbraw/zinc/66/84/60/1074668460.db2.gz CRZRHQQWGKUQGZ-UHFFFAOYSA-N -1 3 397.855 3.542 20 0 GHADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001474996519 1074675374 /nfs/dbraw/zinc/67/53/74/1074675374.db2.gz XCWIWORONUAERP-UHFFFAOYSA-N -1 3 387.851 3.968 20 0 GHADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001475009756 1074681814 /nfs/dbraw/zinc/68/18/14/1074681814.db2.gz IARIXKHCGCOBMP-AWEZNQCLSA-N -1 3 393.896 3.956 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)(C)C)c1 ZINC001475060634 1074716286 /nfs/dbraw/zinc/71/62/86/1074716286.db2.gz VUZLHEXSEROEHI-SFHVURJKSA-N -1 3 393.480 3.986 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)s2)Cc2ccccc2C1 ZINC001475102416 1074737824 /nfs/dbraw/zinc/73/78/24/1074737824.db2.gz GVZVXSMSJPKKAT-UHFFFAOYSA-N -1 3 386.336 3.594 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)c1 ZINC001475199046 1074781433 /nfs/dbraw/zinc/78/14/33/1074781433.db2.gz XUMTUBLEOFZVIU-LBPRGKRZSA-N -1 3 391.420 3.788 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)sc1Br ZINC001475224793 1074794461 /nfs/dbraw/zinc/79/44/61/1074794461.db2.gz WPWZMLNJHOHBSP-VXGBXAGGSA-N -1 3 396.372 3.691 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(Cl)c2nonc21 ZINC001475267572 1074813092 /nfs/dbraw/zinc/81/30/92/1074813092.db2.gz AHIQWNNGKNOSEA-DGCLKSJQSA-N -1 3 395.843 3.630 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@]1(C)C(C)C ZINC001475370592 1074852159 /nfs/dbraw/zinc/85/21/59/1074852159.db2.gz AWFXWAQBKVPNKI-GXTWGEPZSA-N -1 3 396.734 3.824 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(OC(F)(F)F)c3)CCC2)o1 ZINC001475440593 1074876148 /nfs/dbraw/zinc/87/61/48/1074876148.db2.gz IASAAEYWMIZXBA-UHFFFAOYSA-N -1 3 389.395 3.887 20 0 GHADHM O=S(=O)(CC12CCC(CC1)CC2)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC001475474613 1074887962 /nfs/dbraw/zinc/88/79/62/1074887962.db2.gz CDRWXWOWRZPMNN-OGVSOVDVSA-N -1 3 383.476 3.766 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC001475535764 1074907315 /nfs/dbraw/zinc/90/73/15/1074907315.db2.gz JQJAXNBEXSPGSB-XPTSAGLGSA-N -1 3 378.252 3.533 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)c1cc(C)ccc1C ZINC001475583748 1074920335 /nfs/dbraw/zinc/92/03/35/1074920335.db2.gz RZOAHMVGRASJSU-AWEZNQCLSA-N -1 3 385.869 3.766 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001475611585 1074926901 /nfs/dbraw/zinc/92/69/01/1074926901.db2.gz PBSFZPOLKLZNRP-QZTJIDSGSA-N -1 3 398.532 3.679 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001475669731 1074996625 /nfs/dbraw/zinc/99/66/25/1074996625.db2.gz SHQRXHVNRMECDZ-KSSFIOAISA-N -1 3 397.855 3.683 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC001475669730 1074996719 /nfs/dbraw/zinc/99/67/19/1074996719.db2.gz SHQRXHVNRMECDZ-KDOFPFPSSA-N -1 3 397.855 3.683 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)C2CCC2)cc1 ZINC001475749512 1075013636 /nfs/dbraw/zinc/01/36/36/1075013636.db2.gz PANSKDGWZPLSQR-INIZCTEOSA-N -1 3 384.860 3.702 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCCC1 ZINC001475764890 1075016605 /nfs/dbraw/zinc/01/66/05/1075016605.db2.gz NJKPYDSZBRNABX-UHFFFAOYSA-N -1 3 399.406 3.742 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001475771802 1075018407 /nfs/dbraw/zinc/01/84/07/1075018407.db2.gz FKDAQFQTSNEISU-MKPLZMMCSA-N -1 3 394.718 3.578 20 0 GHADHM COc1cccc2c1CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC001475781217 1075020444 /nfs/dbraw/zinc/02/04/44/1075020444.db2.gz ZZCVHMRZAJETJA-AWEZNQCLSA-N -1 3 383.872 3.714 20 0 GHADHM COc1ccc([C@@H](CO)N(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC001546244917 1079385030 /nfs/dbraw/zinc/38/50/30/1079385030.db2.gz WIZRTQNAPKGPMI-OAQYLSRUSA-N -1 3 393.439 3.999 20 0 GHADHM COc1ccc([C@H](CO)N(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC001546244916 1079385241 /nfs/dbraw/zinc/38/52/41/1079385241.db2.gz WIZRTQNAPKGPMI-NRFANRHFSA-N -1 3 393.439 3.999 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001546263034 1079546133 /nfs/dbraw/zinc/54/61/33/1079546133.db2.gz DXRKEFDMIVKPAL-CYBMUJFWSA-N -1 3 377.282 3.941 20 0 GHADHM CC[C@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382620 598823528 /nfs/dbraw/zinc/82/35/28/598823528.db2.gz MWOCOJGUNHVAAA-GTNSWQLSSA-N -1 3 388.374 3.607 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000737964687 598823887 /nfs/dbraw/zinc/82/38/87/598823887.db2.gz YGVXFVAGNWJNOW-HNNXBMFYSA-N -1 3 388.258 3.520 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000737964687 598823888 /nfs/dbraw/zinc/82/38/88/598823888.db2.gz YGVXFVAGNWJNOW-HNNXBMFYSA-N -1 3 388.258 3.520 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC000737098427 598837919 /nfs/dbraw/zinc/83/79/19/598837919.db2.gz CXSLLUJDYPGZMS-UHFFFAOYSA-N -1 3 399.407 3.516 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000737098427 598837921 /nfs/dbraw/zinc/83/79/21/598837921.db2.gz CXSLLUJDYPGZMS-UHFFFAOYSA-N -1 3 399.407 3.516 20 0 GHADHM CCC(C)(CC)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736315230 598838337 /nfs/dbraw/zinc/83/83/37/598838337.db2.gz QSFYPEBSPGCIMF-UHFFFAOYSA-N -1 3 385.497 3.614 20 0 GHADHM CCC(C)(CC)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736315230 598838338 /nfs/dbraw/zinc/83/83/38/598838338.db2.gz QSFYPEBSPGCIMF-UHFFFAOYSA-N -1 3 385.497 3.614 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C[C@@H](C)C1 ZINC000736222276 598838459 /nfs/dbraw/zinc/83/84/59/598838459.db2.gz CDFMPGKZRRCXCI-FOLVSLTJSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737306054 598839070 /nfs/dbraw/zinc/83/90/70/598839070.db2.gz MNEOXKWNJKAQAA-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737306054 598839072 /nfs/dbraw/zinc/83/90/72/598839072.db2.gz MNEOXKWNJKAQAA-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H]2CCC[C@@H](C)C2)c1C ZINC000737503623 598840305 /nfs/dbraw/zinc/84/03/05/598840305.db2.gz QMFMJWJPBBQKIH-CZUORRHYSA-N -1 3 393.495 3.824 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H](C)CC(C)C)c1C ZINC000737504227 598840915 /nfs/dbraw/zinc/84/09/15/598840915.db2.gz XVXJGIJHARCRQR-ZDUSSCGKSA-N -1 3 381.484 3.680 20 0 GHADHM COC(=O)[C@H](Nc1ccc(CCC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900644 598883958 /nfs/dbraw/zinc/88/39/58/598883958.db2.gz ZQGPBKWTCPURGG-LJQANCHMSA-N -1 3 379.464 3.782 20 0 GHADHM COC(=O)[C@H](Nc1ccc(CCC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900644 598883960 /nfs/dbraw/zinc/88/39/60/598883960.db2.gz ZQGPBKWTCPURGG-LJQANCHMSA-N -1 3 379.464 3.782 20 0 GHADHM COC(=O)[C@@H](N[C@@H](CC(C)C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892619 598884159 /nfs/dbraw/zinc/88/41/59/598884159.db2.gz AVVSRHMIZIHBOO-PMACEKPBSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@@H](N[C@@H](CC(C)C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892619 598884160 /nfs/dbraw/zinc/88/41/60/598884160.db2.gz AVVSRHMIZIHBOO-PMACEKPBSA-N -1 3 393.491 3.766 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000735831833 598889672 /nfs/dbraw/zinc/88/96/72/598889672.db2.gz WBAIHMHVRANNLV-HOTGVXAUSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000735831833 598889674 /nfs/dbraw/zinc/88/96/74/598889674.db2.gz WBAIHMHVRANNLV-HOTGVXAUSA-N -1 3 384.528 3.859 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736116259 598904667 /nfs/dbraw/zinc/90/46/67/598904667.db2.gz MDWGJWBWTWYCAG-NSHDSACASA-N -1 3 393.382 3.544 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736116259 598904668 /nfs/dbraw/zinc/90/46/68/598904668.db2.gz MDWGJWBWTWYCAG-NSHDSACASA-N -1 3 393.382 3.544 20 0 GHADHM CC(C)(C)/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735594562 598905643 /nfs/dbraw/zinc/90/56/43/598905643.db2.gz UIGCADPJNDVCHL-VAWYXSNFSA-N -1 3 377.448 3.987 20 0 GHADHM CC(C)(C)/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735594562 598905645 /nfs/dbraw/zinc/90/56/45/598905645.db2.gz UIGCADPJNDVCHL-VAWYXSNFSA-N -1 3 377.448 3.987 20 0 GHADHM CC(C)(C)/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735594559 598905916 /nfs/dbraw/zinc/90/59/16/598905916.db2.gz UIGCADPJNDVCHL-QXMHVHEDSA-N -1 3 377.448 3.987 20 0 GHADHM CC(C)(C)/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735594559 598905918 /nfs/dbraw/zinc/90/59/18/598905918.db2.gz UIGCADPJNDVCHL-QXMHVHEDSA-N -1 3 377.448 3.987 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736222572 598908115 /nfs/dbraw/zinc/90/81/15/598908115.db2.gz DXZBXTKRKHPODX-KBPBESRZSA-N -1 3 396.520 3.783 20 0 GHADHM CCCCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736445946 598925826 /nfs/dbraw/zinc/92/58/26/598925826.db2.gz DZFHQGUWOBGHDB-UHFFFAOYSA-N -1 3 379.464 3.756 20 0 GHADHM CCCCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736445946 598925828 /nfs/dbraw/zinc/92/58/28/598925828.db2.gz DZFHQGUWOBGHDB-UHFFFAOYSA-N -1 3 379.464 3.756 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736271028 598926003 /nfs/dbraw/zinc/92/60/03/598926003.db2.gz LXRMQJGPEQMNHH-HNAYVOBHSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736271028 598926004 /nfs/dbraw/zinc/92/60/04/598926004.db2.gz LXRMQJGPEQMNHH-HNAYVOBHSA-N -1 3 391.475 3.754 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737426955 598926600 /nfs/dbraw/zinc/92/66/00/598926600.db2.gz OIISDRPXXCBPGA-MRXNPFEDSA-N -1 3 378.505 3.579 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737426955 598926601 /nfs/dbraw/zinc/92/66/01/598926601.db2.gz OIISDRPXXCBPGA-MRXNPFEDSA-N -1 3 378.505 3.579 20 0 GHADHM CCCC(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736416442 598927587 /nfs/dbraw/zinc/92/75/87/598927587.db2.gz NLNFACMFZNAFSK-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCCC(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736416442 598927589 /nfs/dbraw/zinc/92/75/89/598927589.db2.gz NLNFACMFZNAFSK-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM Cn1c2ccc(Cl)cc2nc1Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737594514 598939134 /nfs/dbraw/zinc/93/91/34/598939134.db2.gz XJSYNYSRKJADAJ-UHFFFAOYSA-N -1 3 378.248 3.606 20 0 GHADHM Cn1c2ccc(Cl)cc2nc1Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737594514 598939136 /nfs/dbraw/zinc/93/91/36/598939136.db2.gz XJSYNYSRKJADAJ-UHFFFAOYSA-N -1 3 378.248 3.606 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736400643 598942138 /nfs/dbraw/zinc/94/21/38/598942138.db2.gz QGDSOGATYGVHLH-RHSMWYFYSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736400643 598942141 /nfs/dbraw/zinc/94/21/41/598942141.db2.gz QGDSOGATYGVHLH-RHSMWYFYSA-N -1 3 395.463 3.737 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735702545 598986931 /nfs/dbraw/zinc/98/69/31/598986931.db2.gz PFGSITXHDARRGM-HNNXBMFYSA-N -1 3 379.464 3.562 20 0 GHADHM CCN(CC(C)C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736514546 598990078 /nfs/dbraw/zinc/99/00/78/598990078.db2.gz ZTJHBAOXHOIGJT-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736423270 598998440 /nfs/dbraw/zinc/99/84/40/598998440.db2.gz NEVCAJAQRHEWLJ-GOSISDBHSA-N -1 3 379.464 3.754 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736326033 598997242 /nfs/dbraw/zinc/99/72/42/598997242.db2.gz BASLRRNVWGRHEC-HUUCEWRRSA-N -1 3 379.464 3.610 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114986 599019143 /nfs/dbraw/zinc/01/91/43/599019143.db2.gz FXBWXYVHMJPDEB-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114986 599019145 /nfs/dbraw/zinc/01/91/45/599019145.db2.gz FXBWXYVHMJPDEB-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM Cc1cccc(C2(O)CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c1C ZINC000822299707 599048431 /nfs/dbraw/zinc/04/84/31/599048431.db2.gz RSZVBCFTVUOEMP-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM Cc1cccc(C2(O)CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c1C ZINC000822299707 599048435 /nfs/dbraw/zinc/04/84/35/599048435.db2.gz RSZVBCFTVUOEMP-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1OCC1CCOCC1 ZINC000737361976 599049717 /nfs/dbraw/zinc/04/97/17/599049717.db2.gz LCJRDWUBKZCSMY-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1OCC1CCOCC1 ZINC000737361976 599049719 /nfs/dbraw/zinc/04/97/19/599049719.db2.gz LCJRDWUBKZCSMY-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736820612 599053923 /nfs/dbraw/zinc/05/39/23/599053923.db2.gz ZTAQAXPSKLVNRZ-UHFFFAOYSA-N -1 3 386.740 3.709 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736820612 599053926 /nfs/dbraw/zinc/05/39/26/599053926.db2.gz ZTAQAXPSKLVNRZ-UHFFFAOYSA-N -1 3 386.740 3.709 20 0 GHADHM COc1cccc(F)c1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821873761 599055237 /nfs/dbraw/zinc/05/52/37/599055237.db2.gz XTDLGECFKHUMHX-QMMMGPOBSA-N -1 3 382.321 3.601 20 0 GHADHM COc1cccc(F)c1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821873761 599055240 /nfs/dbraw/zinc/05/52/40/599055240.db2.gz XTDLGECFKHUMHX-QMMMGPOBSA-N -1 3 382.321 3.601 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737333456 599056098 /nfs/dbraw/zinc/05/60/98/599056098.db2.gz BPNQGVLGCXYXQR-AWEZNQCLSA-N -1 3 388.397 3.800 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737333456 599056101 /nfs/dbraw/zinc/05/61/01/599056101.db2.gz BPNQGVLGCXYXQR-AWEZNQCLSA-N -1 3 388.397 3.800 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000736113021 599062654 /nfs/dbraw/zinc/06/26/54/599062654.db2.gz WBRIOJDHLHHXCS-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000736113021 599062657 /nfs/dbraw/zinc/06/26/57/599062657.db2.gz WBRIOJDHLHHXCS-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000735904145 599070756 /nfs/dbraw/zinc/07/07/56/599070756.db2.gz LUNPQXXXMXIVQE-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000735904145 599070758 /nfs/dbraw/zinc/07/07/58/599070758.db2.gz LUNPQXXXMXIVQE-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000736670753 599072617 /nfs/dbraw/zinc/07/26/17/599072617.db2.gz QLMVQUYWUBQTGG-RYUDHWBXSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000736670753 599072620 /nfs/dbraw/zinc/07/26/20/599072620.db2.gz QLMVQUYWUBQTGG-RYUDHWBXSA-N -1 3 389.431 3.819 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328199 599082692 /nfs/dbraw/zinc/08/26/92/599082692.db2.gz FCNNODSFTKPCTN-KRWDZBQOSA-N -1 3 397.504 3.755 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328199 599082695 /nfs/dbraw/zinc/08/26/95/599082695.db2.gz FCNNODSFTKPCTN-KRWDZBQOSA-N -1 3 397.504 3.755 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736266047 599082872 /nfs/dbraw/zinc/08/28/72/599082872.db2.gz MJQBAPGWLMRNCR-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736266047 599082875 /nfs/dbraw/zinc/08/28/75/599082875.db2.gz MJQBAPGWLMRNCR-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737331613 599083741 /nfs/dbraw/zinc/08/37/41/599083741.db2.gz QCLUUROJASFTIY-UZLBHIALSA-N -1 3 391.475 3.696 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738160152 599088709 /nfs/dbraw/zinc/08/87/09/599088709.db2.gz TZWQYUWYQOQHMT-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738160152 599088710 /nfs/dbraw/zinc/08/87/10/599088710.db2.gz TZWQYUWYQOQHMT-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236182 599090820 /nfs/dbraw/zinc/09/08/20/599090820.db2.gz RCJLMMPNFHYEOR-GQIGUUNPSA-N -1 3 375.476 3.592 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236182 599090822 /nfs/dbraw/zinc/09/08/22/599090822.db2.gz RCJLMMPNFHYEOR-GQIGUUNPSA-N -1 3 375.476 3.592 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737390718 599103577 /nfs/dbraw/zinc/10/35/77/599103577.db2.gz WENXRBHPPWACSK-OXJNMPFZSA-N -1 3 391.475 3.615 20 0 GHADHM Nc1nc(CSc2ccccc2-c2nnn[n-]2)nc2sc3c(c21)CCCC3 ZINC000737776875 599112065 /nfs/dbraw/zinc/11/20/65/599112065.db2.gz SICNNFVOEZOTLS-UHFFFAOYSA-N -1 3 395.517 3.625 20 0 GHADHM Nc1nc(CSc2ccccc2-c2nn[n-]n2)nc2sc3c(c21)CCCC3 ZINC000737776875 599112067 /nfs/dbraw/zinc/11/20/67/599112067.db2.gz SICNNFVOEZOTLS-UHFFFAOYSA-N -1 3 395.517 3.625 20 0 GHADHM COCc1nc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)cs1 ZINC000821697021 599126978 /nfs/dbraw/zinc/12/69/78/599126978.db2.gz YFBJPVUOVOBSDD-UHFFFAOYSA-N -1 3 396.501 3.824 20 0 GHADHM COCc1nc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)cs1 ZINC000821697021 599126979 /nfs/dbraw/zinc/12/69/79/599126979.db2.gz YFBJPVUOVOBSDD-UHFFFAOYSA-N -1 3 396.501 3.824 20 0 GHADHM COc1ccccc1[C@H](C)SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821883143 599128117 /nfs/dbraw/zinc/12/81/17/599128117.db2.gz QSALSDLAPDVNNV-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccccc1[C@H](C)SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821883143 599128120 /nfs/dbraw/zinc/12/81/20/599128120.db2.gz QSALSDLAPDVNNV-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM Fc1cc(NCc2nc(C3CC3)no2)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822754231 599133693 /nfs/dbraw/zinc/13/36/93/599133693.db2.gz XJIBDXBURDHTSQ-UHFFFAOYSA-N -1 3 393.382 3.671 20 0 GHADHM Fc1cc(NCc2nc(C3CC3)no2)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822754231 599133695 /nfs/dbraw/zinc/13/36/95/599133695.db2.gz XJIBDXBURDHTSQ-UHFFFAOYSA-N -1 3 393.382 3.671 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000742651063 599139513 /nfs/dbraw/zinc/13/95/13/599139513.db2.gz ZLGGZHRQPNTKGK-FMIVXFBMSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000742651063 599139515 /nfs/dbraw/zinc/13/95/15/599139515.db2.gz ZLGGZHRQPNTKGK-FMIVXFBMSA-N -1 3 387.365 3.605 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)cc1 ZINC000821133666 599143782 /nfs/dbraw/zinc/14/37/82/599143782.db2.gz CNJMPQXYFLCHTI-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)cc1 ZINC000821133666 599143784 /nfs/dbraw/zinc/14/37/84/599143784.db2.gz CNJMPQXYFLCHTI-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000821757395 599148163 /nfs/dbraw/zinc/14/81/63/599148163.db2.gz WJXLBMSHZKZZJM-UHFFFAOYSA-N -1 3 377.448 3.788 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000821757395 599148165 /nfs/dbraw/zinc/14/81/65/599148165.db2.gz WJXLBMSHZKZZJM-UHFFFAOYSA-N -1 3 377.448 3.788 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736353181 599157938 /nfs/dbraw/zinc/15/79/38/599157938.db2.gz NZLBIKYRQFCKBR-CQSZACIVSA-N -1 3 386.912 3.828 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736353181 599157940 /nfs/dbraw/zinc/15/79/40/599157940.db2.gz NZLBIKYRQFCKBR-CQSZACIVSA-N -1 3 386.912 3.828 20 0 GHADHM CCC[C@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)OCC ZINC000736437745 599166368 /nfs/dbraw/zinc/16/63/68/599166368.db2.gz XIEUNROVRMPXIY-INIZCTEOSA-N -1 3 383.477 3.753 20 0 GHADHM CCC[C@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)OCC ZINC000736437745 599166370 /nfs/dbraw/zinc/16/63/70/599166370.db2.gz XIEUNROVRMPXIY-INIZCTEOSA-N -1 3 383.477 3.753 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820031389 599168186 /nfs/dbraw/zinc/16/81/86/599168186.db2.gz DXALYXLNULNKOI-GOSISDBHSA-N -1 3 399.495 3.580 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820031389 599168188 /nfs/dbraw/zinc/16/81/88/599168188.db2.gz DXALYXLNULNKOI-GOSISDBHSA-N -1 3 399.495 3.580 20 0 GHADHM COc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1NC(=O)C1CCCCC1 ZINC000737106112 599168890 /nfs/dbraw/zinc/16/88/90/599168890.db2.gz NROMBLJVMQYRMG-UHFFFAOYSA-N -1 3 393.451 3.533 20 0 GHADHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1NC(=O)C1CCCCC1 ZINC000737106112 599168892 /nfs/dbraw/zinc/16/88/92/599168892.db2.gz NROMBLJVMQYRMG-UHFFFAOYSA-N -1 3 393.451 3.533 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223245 599171322 /nfs/dbraw/zinc/17/13/22/599171322.db2.gz ISKDTMHDSLSTFB-AHIWAGSCSA-N -1 3 391.516 3.627 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223245 599171323 /nfs/dbraw/zinc/17/13/23/599171323.db2.gz ISKDTMHDSLSTFB-AHIWAGSCSA-N -1 3 391.516 3.627 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736235970 599175230 /nfs/dbraw/zinc/17/52/30/599175230.db2.gz QMGDPDAMIMOROL-YVEFUNNKSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736235970 599175232 /nfs/dbraw/zinc/17/52/32/599175232.db2.gz QMGDPDAMIMOROL-YVEFUNNKSA-N -1 3 382.468 3.786 20 0 GHADHM CCCCCC[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC000736448504 599177278 /nfs/dbraw/zinc/17/72/78/599177278.db2.gz ZDVMAMHUAWLIKX-LLVKDONJSA-N -1 3 393.513 3.958 20 0 GHADHM CCCCCC[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC000736448504 599177280 /nfs/dbraw/zinc/17/72/80/599177280.db2.gz ZDVMAMHUAWLIKX-LLVKDONJSA-N -1 3 393.513 3.958 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c(C)c1 ZINC000737072903 599178679 /nfs/dbraw/zinc/17/86/79/599178679.db2.gz WUFOVSZSUGHXQH-SNVBAGLBSA-N -1 3 383.477 3.622 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c(C)c1 ZINC000737072903 599178680 /nfs/dbraw/zinc/17/86/80/599178680.db2.gz WUFOVSZSUGHXQH-SNVBAGLBSA-N -1 3 383.477 3.622 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000736481581 599182182 /nfs/dbraw/zinc/18/21/82/599182182.db2.gz RDUZHGDSPBRPRA-UHFFFAOYSA-N -1 3 379.395 3.804 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000736481581 599182184 /nfs/dbraw/zinc/18/21/84/599182184.db2.gz RDUZHGDSPBRPRA-UHFFFAOYSA-N -1 3 379.395 3.804 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000736629143 599178959 /nfs/dbraw/zinc/17/89/59/599178959.db2.gz UQJMFZFCQGSHPU-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000736629143 599178961 /nfs/dbraw/zinc/17/89/61/599178961.db2.gz UQJMFZFCQGSHPU-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM CCC(CC)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820893159 599184858 /nfs/dbraw/zinc/18/48/58/599184858.db2.gz LCVNCHCUFCNEBW-HXUWFJFHSA-N -1 3 378.480 3.572 20 0 GHADHM Cn1c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1-c1ccccc1 ZINC000737594159 599185319 /nfs/dbraw/zinc/18/53/19/599185319.db2.gz SNPHFEHUXXYXLN-UHFFFAOYSA-N -1 3 389.463 3.681 20 0 GHADHM Cn1c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1-c1ccccc1 ZINC000737594159 599185321 /nfs/dbraw/zinc/18/53/21/599185321.db2.gz SNPHFEHUXXYXLN-UHFFFAOYSA-N -1 3 389.463 3.681 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1Cc2ccccc21 ZINC000738171612 599189774 /nfs/dbraw/zinc/18/97/74/599189774.db2.gz HMZSYKGQGUDLID-FQEVSTJZSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1Cc2ccccc21 ZINC000738171612 599189777 /nfs/dbraw/zinc/18/97/77/599189777.db2.gz HMZSYKGQGUDLID-FQEVSTJZSA-N -1 3 383.411 3.937 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736633414 599187196 /nfs/dbraw/zinc/18/71/96/599187196.db2.gz AIXFBXLSHCMBKV-OAHLLOKOSA-N -1 3 386.500 3.946 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000736633414 599187198 /nfs/dbraw/zinc/18/71/98/599187198.db2.gz AIXFBXLSHCMBKV-OAHLLOKOSA-N -1 3 386.500 3.946 20 0 GHADHM CC1(NC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCCCC1 ZINC000736224587 599187361 /nfs/dbraw/zinc/18/73/61/599187361.db2.gz SPZXVEGPFYZYSL-UHFFFAOYSA-N -1 3 397.508 3.758 20 0 GHADHM CC1(NC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCCCC1 ZINC000736224587 599187364 /nfs/dbraw/zinc/18/73/64/599187364.db2.gz SPZXVEGPFYZYSL-UHFFFAOYSA-N -1 3 397.508 3.758 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCCCC1 ZINC000736224270 599187586 /nfs/dbraw/zinc/18/75/86/599187586.db2.gz RNJAAUHCNSLDKM-UHFFFAOYSA-N -1 3 393.451 3.898 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820949820 599200894 /nfs/dbraw/zinc/20/08/94/599200894.db2.gz GFEHZKKAGGXULU-NRFANRHFSA-N -1 3 395.463 3.691 20 0 GHADHM COCCN(C(=O)CCCCCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987979 599203981 /nfs/dbraw/zinc/20/39/81/599203981.db2.gz HYLJSOXGIVQSFC-UHFFFAOYSA-N -1 3 399.520 3.711 20 0 GHADHM COCCN(C(=O)CCCCCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987979 599203984 /nfs/dbraw/zinc/20/39/84/599203984.db2.gz HYLJSOXGIVQSFC-UHFFFAOYSA-N -1 3 399.520 3.711 20 0 GHADHM c1coc([C@@H]2COCCN2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000738449126 599209456 /nfs/dbraw/zinc/20/94/56/599209456.db2.gz SMWRZBHFBLMQPC-FQEVSTJZSA-N -1 3 387.443 3.700 20 0 GHADHM c1coc([C@@H]2COCCN2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000738449126 599209457 /nfs/dbraw/zinc/20/94/57/599209457.db2.gz SMWRZBHFBLMQPC-FQEVSTJZSA-N -1 3 387.443 3.700 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923049 599212087 /nfs/dbraw/zinc/21/20/87/599212087.db2.gz JKBBRRDMTSNRGP-INIZCTEOSA-N -1 3 392.507 3.983 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923049 599212088 /nfs/dbraw/zinc/21/20/88/599212088.db2.gz JKBBRRDMTSNRGP-INIZCTEOSA-N -1 3 392.507 3.983 20 0 GHADHM O=C(OCC(F)F)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738220172 599217680 /nfs/dbraw/zinc/21/76/80/599217680.db2.gz PKFKNOFQYZNKIQ-UHFFFAOYSA-N -1 3 380.738 3.734 20 0 GHADHM O=C(OCC(F)F)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738220172 599217681 /nfs/dbraw/zinc/21/76/81/599217681.db2.gz PKFKNOFQYZNKIQ-UHFFFAOYSA-N -1 3 380.738 3.734 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CCSCC1 ZINC000823356901 599222321 /nfs/dbraw/zinc/22/23/21/599222321.db2.gz QYURWVWLEOYQRH-UHFFFAOYSA-N -1 3 399.451 3.880 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CCSCC1 ZINC000823356901 599222323 /nfs/dbraw/zinc/22/23/23/599222323.db2.gz QYURWVWLEOYQRH-UHFFFAOYSA-N -1 3 399.451 3.880 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737271519 599222928 /nfs/dbraw/zinc/22/29/28/599222928.db2.gz WHUCIYFRGYXTMD-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737271519 599222930 /nfs/dbraw/zinc/22/29/30/599222930.db2.gz WHUCIYFRGYXTMD-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM CSc1ccc(OCCSCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821984463 599224090 /nfs/dbraw/zinc/22/40/90/599224090.db2.gz QQWRANQOTICDDD-UHFFFAOYSA-N -1 3 388.518 3.780 20 0 GHADHM CSc1ccc(OCCSCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821984463 599224092 /nfs/dbraw/zinc/22/40/92/599224092.db2.gz QQWRANQOTICDDD-UHFFFAOYSA-N -1 3 388.518 3.780 20 0 GHADHM CC(C)N(C(=S)N[C@@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820112379 599224674 /nfs/dbraw/zinc/22/46/74/599224674.db2.gz SLBKIZQYCXKPKD-GOSISDBHSA-N -1 3 392.532 3.514 20 0 GHADHM CC(C)N(C(=S)N[C@@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820112379 599224676 /nfs/dbraw/zinc/22/46/76/599224676.db2.gz SLBKIZQYCXKPKD-GOSISDBHSA-N -1 3 392.532 3.514 20 0 GHADHM CCOc1cccc(NC(=S)N(c2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000821431388 599225626 /nfs/dbraw/zinc/22/56/26/599225626.db2.gz SMCGHFQAJSHBSJ-UHFFFAOYSA-N -1 3 382.493 3.877 20 0 GHADHM CCOc1cccc(NC(=S)N(c2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000821431388 599225629 /nfs/dbraw/zinc/22/56/29/599225629.db2.gz SMCGHFQAJSHBSJ-UHFFFAOYSA-N -1 3 382.493 3.877 20 0 GHADHM CCCCCC[C@H](C)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736448194 599238210 /nfs/dbraw/zinc/23/82/10/599238210.db2.gz VKNYLVPNJSOCER-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCCC[C@H](C)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736448194 599238213 /nfs/dbraw/zinc/23/82/13/599238213.db2.gz VKNYLVPNJSOCER-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821220696 599240464 /nfs/dbraw/zinc/24/04/64/599240464.db2.gz DZDZUANIKPKFRF-UHFFFAOYSA-N -1 3 399.458 3.983 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821220696 599240466 /nfs/dbraw/zinc/24/04/66/599240466.db2.gz DZDZUANIKPKFRF-UHFFFAOYSA-N -1 3 399.458 3.983 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736234179 599249388 /nfs/dbraw/zinc/24/93/88/599249388.db2.gz IJOMFPNLZIHTME-UGSOOPFHSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736234179 599249389 /nfs/dbraw/zinc/24/93/89/599249389.db2.gz IJOMFPNLZIHTME-UGSOOPFHSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820379373 599251387 /nfs/dbraw/zinc/25/13/87/599251387.db2.gz BSDUXZLQEGLXOM-LLVKDONJSA-N -1 3 393.838 3.951 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820379373 599251389 /nfs/dbraw/zinc/25/13/89/599251389.db2.gz BSDUXZLQEGLXOM-LLVKDONJSA-N -1 3 393.838 3.951 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822085445 607284751 /nfs/dbraw/zinc/28/47/51/607284751.db2.gz ZUVKWMDFIJBMAJ-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822085445 607284752 /nfs/dbraw/zinc/28/47/52/607284752.db2.gz ZUVKWMDFIJBMAJ-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1c(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822088926 607285629 /nfs/dbraw/zinc/28/56/29/607285629.db2.gz BMNHKBYYNWNCOL-CQSZACIVSA-N -1 3 376.342 3.600 20 0 GHADHM Cc1c(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822088926 607285630 /nfs/dbraw/zinc/28/56/30/607285630.db2.gz BMNHKBYYNWNCOL-CQSZACIVSA-N -1 3 376.342 3.600 20 0 GHADHM CCc1csc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)n1 ZINC000821499051 607290345 /nfs/dbraw/zinc/29/03/45/607290345.db2.gz CDQLBXZJTUVASE-CYBMUJFWSA-N -1 3 397.508 3.606 20 0 GHADHM CCc1csc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)n1 ZINC000821499051 607290346 /nfs/dbraw/zinc/29/03/46/607290346.db2.gz CDQLBXZJTUVASE-CYBMUJFWSA-N -1 3 397.508 3.606 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)cn1 ZINC000822255100 607294192 /nfs/dbraw/zinc/29/41/92/607294192.db2.gz VNKHBEKZXWIDMX-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)cn1 ZINC000822255100 607294193 /nfs/dbraw/zinc/29/41/93/607294193.db2.gz VNKHBEKZXWIDMX-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737261973 599259493 /nfs/dbraw/zinc/25/94/93/599259493.db2.gz BEEAFGQFLOEJMT-CYBMUJFWSA-N -1 3 397.866 3.575 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)cc1F ZINC000737090352 599259787 /nfs/dbraw/zinc/25/97/87/599259787.db2.gz GARGYHRZBHABNP-UHFFFAOYSA-N -1 3 396.401 3.647 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)cc1F ZINC000737090352 599259788 /nfs/dbraw/zinc/25/97/88/599259788.db2.gz GARGYHRZBHABNP-UHFFFAOYSA-N -1 3 396.401 3.647 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823257353 607297853 /nfs/dbraw/zinc/29/78/53/607297853.db2.gz JKJCCCSYXAXXOJ-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823257353 607297854 /nfs/dbraw/zinc/29/78/54/607297854.db2.gz JKJCCCSYXAXXOJ-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1Cl ZINC000820404535 607301153 /nfs/dbraw/zinc/30/11/53/607301153.db2.gz XJOAALSDOSTTSP-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1Cl ZINC000820404535 607301154 /nfs/dbraw/zinc/30/11/54/607301154.db2.gz XJOAALSDOSTTSP-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821453944 599265356 /nfs/dbraw/zinc/26/53/56/599265356.db2.gz BTUAOEYYEVBTCF-ZDUSSCGKSA-N -1 3 392.529 3.649 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821453944 599265360 /nfs/dbraw/zinc/26/53/60/599265360.db2.gz BTUAOEYYEVBTCF-ZDUSSCGKSA-N -1 3 392.529 3.649 20 0 GHADHM CCCn1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000821147809 607303915 /nfs/dbraw/zinc/30/39/15/607303915.db2.gz JLZLMBHJJFGSEG-UHFFFAOYSA-N -1 3 389.463 3.664 20 0 GHADHM CCCn1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000821147809 607303916 /nfs/dbraw/zinc/30/39/16/607303916.db2.gz JLZLMBHJJFGSEG-UHFFFAOYSA-N -1 3 389.463 3.664 20 0 GHADHM c1csc(CN(C[C@H]2CCCO2)c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000823815624 607305087 /nfs/dbraw/zinc/30/50/87/607305087.db2.gz GSVXBIJKAGYOOH-CQSZACIVSA-N -1 3 392.488 3.662 20 0 GHADHM c1csc(CN(C[C@H]2CCCO2)c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000823815624 607305088 /nfs/dbraw/zinc/30/50/88/607305088.db2.gz GSVXBIJKAGYOOH-CQSZACIVSA-N -1 3 392.488 3.662 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379596 599266613 /nfs/dbraw/zinc/26/66/13/599266613.db2.gz DTWZMVSMKMIMGG-CQSZACIVSA-N -1 3 392.463 3.676 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379596 599266616 /nfs/dbraw/zinc/26/66/16/599266616.db2.gz DTWZMVSMKMIMGG-CQSZACIVSA-N -1 3 392.463 3.676 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820690523 599275958 /nfs/dbraw/zinc/27/59/58/599275958.db2.gz NFYJMAHGYIQDOO-MNOVXSKESA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820690523 599275959 /nfs/dbraw/zinc/27/59/59/599275959.db2.gz NFYJMAHGYIQDOO-MNOVXSKESA-N -1 3 380.399 3.511 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc(CC)o1 ZINC000736637584 599278437 /nfs/dbraw/zinc/27/84/37/599278437.db2.gz UBPMQEIMLBOUQS-MRXNPFEDSA-N -1 3 396.451 3.790 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc(CC)o1 ZINC000736637584 599278438 /nfs/dbraw/zinc/27/84/38/599278438.db2.gz UBPMQEIMLBOUQS-MRXNPFEDSA-N -1 3 396.451 3.790 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820665307 599278506 /nfs/dbraw/zinc/27/85/06/599278506.db2.gz FLSICZIRKYUAQT-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820665307 599278508 /nfs/dbraw/zinc/27/85/08/599278508.db2.gz FLSICZIRKYUAQT-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820665299 599278774 /nfs/dbraw/zinc/27/87/74/599278774.db2.gz FLSICZIRKYUAQT-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820665299 599278776 /nfs/dbraw/zinc/27/87/76/599278776.db2.gz FLSICZIRKYUAQT-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM Cc1c2c(sc1NC(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000737217890 599279405 /nfs/dbraw/zinc/27/94/05/599279405.db2.gz FIXPGYHTADOWIW-UHFFFAOYSA-N -1 3 385.518 3.846 20 0 GHADHM Cc1c2c(sc1NC(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737217890 599279408 /nfs/dbraw/zinc/27/94/08/599279408.db2.gz FIXPGYHTADOWIW-UHFFFAOYSA-N -1 3 385.518 3.846 20 0 GHADHM C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190408 599286560 /nfs/dbraw/zinc/28/65/60/599286560.db2.gz DWYBSYYKUTZBCB-NSHDSACASA-N -1 3 381.440 3.655 20 0 GHADHM C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190408 599286563 /nfs/dbraw/zinc/28/65/63/599286563.db2.gz DWYBSYYKUTZBCB-NSHDSACASA-N -1 3 381.440 3.655 20 0 GHADHM O=C(NCCC1=CCCCC1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823183453 599290323 /nfs/dbraw/zinc/29/03/23/599290323.db2.gz XPUONTGYGSIHCR-UHFFFAOYSA-N -1 3 380.374 3.898 20 0 GHADHM O=C(NCCC1=CCCCC1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823183453 599290326 /nfs/dbraw/zinc/29/03/26/599290326.db2.gz XPUONTGYGSIHCR-UHFFFAOYSA-N -1 3 380.374 3.898 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820951202 599292148 /nfs/dbraw/zinc/29/21/48/599292148.db2.gz WGROQAFHQQMXRT-MRXNPFEDSA-N -1 3 382.390 3.930 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820951202 599292149 /nfs/dbraw/zinc/29/21/49/599292149.db2.gz WGROQAFHQQMXRT-MRXNPFEDSA-N -1 3 382.390 3.930 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CCOC3(CCSCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723954 607331459 /nfs/dbraw/zinc/33/14/59/607331459.db2.gz UPTOGFDPNQQLER-GFCCVEGCSA-N -1 3 399.442 3.742 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CCOC3(CCSCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723954 607331460 /nfs/dbraw/zinc/33/14/60/607331460.db2.gz UPTOGFDPNQQLER-GFCCVEGCSA-N -1 3 399.442 3.742 20 0 GHADHM Cc1ccc(C(=O)C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737308770 598232163 /nfs/dbraw/zinc/23/21/63/598232163.db2.gz OCVUDYCALUFBGV-UHFFFAOYSA-N -1 3 399.410 3.789 20 0 GHADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2F)C[C@@H](C)O1 ZINC000736295725 598238868 /nfs/dbraw/zinc/23/88/68/598238868.db2.gz WXCBPLMCWIEFBO-VXGBXAGGSA-N -1 3 386.406 3.502 20 0 GHADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000736295725 598238869 /nfs/dbraw/zinc/23/88/69/598238869.db2.gz WXCBPLMCWIEFBO-VXGBXAGGSA-N -1 3 386.406 3.502 20 0 GHADHM C[C@H](Sc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736190432 598259800 /nfs/dbraw/zinc/25/98/00/598259800.db2.gz FBUOJYODERPEOC-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736190432 598259802 /nfs/dbraw/zinc/25/98/02/598259802.db2.gz FBUOJYODERPEOC-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCC1(C)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736395877 598264821 /nfs/dbraw/zinc/26/48/21/598264821.db2.gz JWMOMXTVVUAMIX-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM CCC1(C)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736395877 598264823 /nfs/dbraw/zinc/26/48/23/598264823.db2.gz JWMOMXTVVUAMIX-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(Cl)c1 ZINC000736114403 598274710 /nfs/dbraw/zinc/27/47/10/598274710.db2.gz CEQLUTFAGBXELV-NSHDSACASA-N -1 3 387.875 3.959 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(Cl)c1 ZINC000736114403 598274712 /nfs/dbraw/zinc/27/47/12/598274712.db2.gz CEQLUTFAGBXELV-NSHDSACASA-N -1 3 387.875 3.959 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737489276 598275208 /nfs/dbraw/zinc/27/52/08/598275208.db2.gz HCLMAQACURYLQG-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737489276 598275210 /nfs/dbraw/zinc/27/52/10/598275210.db2.gz HCLMAQACURYLQG-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737418505 598280127 /nfs/dbraw/zinc/28/01/27/598280127.db2.gz BQGUSMZCCHWXLW-AWEZNQCLSA-N -1 3 381.484 3.957 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737418505 598280129 /nfs/dbraw/zinc/28/01/29/598280129.db2.gz BQGUSMZCCHWXLW-AWEZNQCLSA-N -1 3 381.484 3.957 20 0 GHADHM CC(C(=O)OCc1ccc(-c2nnn[n-]2)cc1)(c1ccccc1)c1ccccc1 ZINC000735572013 598288515 /nfs/dbraw/zinc/28/85/15/598288515.db2.gz OGZIZJIQYPSELI-UHFFFAOYSA-N -1 3 384.439 3.916 20 0 GHADHM CC(C(=O)OCc1ccc(-c2nn[n-]n2)cc1)(c1ccccc1)c1ccccc1 ZINC000735572013 598288517 /nfs/dbraw/zinc/28/85/17/598288517.db2.gz OGZIZJIQYPSELI-UHFFFAOYSA-N -1 3 384.439 3.916 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736652947 598292585 /nfs/dbraw/zinc/29/25/85/598292585.db2.gz CYKQYAKSCXOKBH-MRXNPFEDSA-N -1 3 380.452 3.847 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736652947 598292587 /nfs/dbraw/zinc/29/25/87/598292587.db2.gz CYKQYAKSCXOKBH-MRXNPFEDSA-N -1 3 380.452 3.847 20 0 GHADHM CC(C)[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735707202 598293689 /nfs/dbraw/zinc/29/36/89/598293689.db2.gz HGFWRERELPABKR-HNNXBMFYSA-N -1 3 396.470 3.762 20 0 GHADHM CC(C)[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735707202 598293690 /nfs/dbraw/zinc/29/36/90/598293690.db2.gz HGFWRERELPABKR-HNNXBMFYSA-N -1 3 396.470 3.762 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737287509 598297102 /nfs/dbraw/zinc/29/71/02/598297102.db2.gz IDHDWQZMCAOFMW-HJWRWDBZSA-N -1 3 382.427 3.889 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737287509 598297104 /nfs/dbraw/zinc/29/71/04/598297104.db2.gz IDHDWQZMCAOFMW-HJWRWDBZSA-N -1 3 382.427 3.889 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736326284 598297285 /nfs/dbraw/zinc/29/72/85/598297285.db2.gz IDDGTJIYHICFDE-BMSUMIBZSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736326284 598297286 /nfs/dbraw/zinc/29/72/86/598297286.db2.gz IDDGTJIYHICFDE-BMSUMIBZSA-N -1 3 395.438 3.513 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737288617 598300885 /nfs/dbraw/zinc/30/08/85/598300885.db2.gz PVBVXOBYRJIENV-HNNXBMFYSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737288617 598300886 /nfs/dbraw/zinc/30/08/86/598300886.db2.gz PVBVXOBYRJIENV-HNNXBMFYSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000737464438 598302461 /nfs/dbraw/zinc/30/24/61/598302461.db2.gz JRUXAXUNMSOUTK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000737464438 598302462 /nfs/dbraw/zinc/30/24/62/598302462.db2.gz JRUXAXUNMSOUTK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000738102574 598302709 /nfs/dbraw/zinc/30/27/09/598302709.db2.gz QQEMSBAQSMBKKW-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000738102574 598302710 /nfs/dbraw/zinc/30/27/10/598302710.db2.gz QQEMSBAQSMBKKW-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Oc2ccccc2)c1 ZINC000738102496 598306987 /nfs/dbraw/zinc/30/69/87/598306987.db2.gz PMGWXTNVXRNOJJ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Oc2ccccc2)c1 ZINC000738102496 598306989 /nfs/dbraw/zinc/30/69/89/598306989.db2.gz PMGWXTNVXRNOJJ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM CCc1noc(CSCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000736712706 598313463 /nfs/dbraw/zinc/31/34/63/598313463.db2.gz JOYAEPCORJGAAH-UHFFFAOYSA-N -1 3 378.461 3.913 20 0 GHADHM CCc1noc(CSCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000736712706 598313464 /nfs/dbraw/zinc/31/34/64/598313464.db2.gz JOYAEPCORJGAAH-UHFFFAOYSA-N -1 3 378.461 3.913 20 0 GHADHM CCCCCC[C@H](C)NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736445609 598314570 /nfs/dbraw/zinc/31/45/70/598314570.db2.gz LDSNNMNECPFFEN-ZDUSSCGKSA-N -1 3 379.505 3.714 20 0 GHADHM CCCCCC[C@H](C)NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736445609 598314572 /nfs/dbraw/zinc/31/45/72/598314572.db2.gz LDSNNMNECPFFEN-ZDUSSCGKSA-N -1 3 379.505 3.714 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737576058 598316015 /nfs/dbraw/zinc/31/60/15/598316015.db2.gz SKCWFUKYXKYNJD-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000737576058 598316017 /nfs/dbraw/zinc/31/60/17/598316017.db2.gz SKCWFUKYXKYNJD-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC1(C)CC[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000736211544 598325375 /nfs/dbraw/zinc/32/53/75/598325375.db2.gz OIALIZNJDWBDML-SFHVURJKSA-N -1 3 394.454 3.618 20 0 GHADHM CC1(C)CC[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000736211544 598325376 /nfs/dbraw/zinc/32/53/76/598325376.db2.gz OIALIZNJDWBDML-SFHVURJKSA-N -1 3 394.454 3.618 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000820151612 607350057 /nfs/dbraw/zinc/35/00/57/607350057.db2.gz JSZMUOLOUDLRHJ-CQSZACIVSA-N -1 3 383.477 3.774 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000820151612 607350059 /nfs/dbraw/zinc/35/00/59/607350059.db2.gz JSZMUOLOUDLRHJ-CQSZACIVSA-N -1 3 383.477 3.774 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)sc1-c1ccc(F)cc1 ZINC000517680797 598326788 /nfs/dbraw/zinc/32/67/88/598326788.db2.gz GDUDETVXSVKCLV-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccc(F)cc1 ZINC000517680797 598326789 /nfs/dbraw/zinc/32/67/89/598326789.db2.gz GDUDETVXSVKCLV-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM CCCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCc2ccccc21 ZINC000736470688 598327744 /nfs/dbraw/zinc/32/77/44/598327744.db2.gz TXSBLNIAULEGJL-IBGZPJMESA-N -1 3 394.454 3.615 20 0 GHADHM CCCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCc2ccccc21 ZINC000736470688 598327745 /nfs/dbraw/zinc/32/77/45/598327745.db2.gz TXSBLNIAULEGJL-IBGZPJMESA-N -1 3 394.454 3.615 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736816622 598329046 /nfs/dbraw/zinc/32/90/46/598329046.db2.gz LAOYPLJUNVILLM-UHFFFAOYSA-N -1 3 396.470 3.645 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736816622 598329048 /nfs/dbraw/zinc/32/90/48/598329048.db2.gz LAOYPLJUNVILLM-UHFFFAOYSA-N -1 3 396.470 3.645 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1ccccc1C(F)(F)F ZINC000737803461 598331778 /nfs/dbraw/zinc/33/17/78/598331778.db2.gz SVKWFHABENGUCV-MDZDMXLPSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1ccccc1C(F)(F)F ZINC000737803461 598331779 /nfs/dbraw/zinc/33/17/79/598331779.db2.gz SVKWFHABENGUCV-MDZDMXLPSA-N -1 3 388.349 3.685 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822205644 607351295 /nfs/dbraw/zinc/35/12/95/607351295.db2.gz BUTUXYLHGGQQQQ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822205644 607351297 /nfs/dbraw/zinc/35/12/97/607351297.db2.gz BUTUXYLHGGQQQQ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417076 607354081 /nfs/dbraw/zinc/35/40/81/607354081.db2.gz IJWKYSFBOGAHAD-HGEVBOJVSA-N -1 3 389.459 3.642 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417076 607354082 /nfs/dbraw/zinc/35/40/82/607354082.db2.gz IJWKYSFBOGAHAD-HGEVBOJVSA-N -1 3 389.459 3.642 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000735902911 598364618 /nfs/dbraw/zinc/36/46/18/598364618.db2.gz ABSNDIPXRNHFIH-CYBMUJFWSA-N -1 3 383.427 3.925 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000735902911 598364620 /nfs/dbraw/zinc/36/46/20/598364620.db2.gz ABSNDIPXRNHFIH-CYBMUJFWSA-N -1 3 383.427 3.925 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccccc2-c2nnn[n-]2)s1 ZINC000737463419 598372058 /nfs/dbraw/zinc/37/20/58/598372058.db2.gz RIVUSZRXORRFPL-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccccc2-c2nn[n-]n2)s1 ZINC000737463419 598372060 /nfs/dbraw/zinc/37/20/60/598372060.db2.gz RIVUSZRXORRFPL-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CCOc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OCC ZINC000736637825 598386599 /nfs/dbraw/zinc/38/65/99/598386599.db2.gz QZZXFUBKCMURPX-LLVKDONJSA-N -1 3 388.859 3.886 20 0 GHADHM CCOc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OCC ZINC000736637825 598386601 /nfs/dbraw/zinc/38/66/01/598386601.db2.gz QZZXFUBKCMURPX-LLVKDONJSA-N -1 3 388.859 3.886 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736303985 598390862 /nfs/dbraw/zinc/39/08/62/598390862.db2.gz MSAMUPWWWKCGHL-ZDUSSCGKSA-N -1 3 379.468 3.574 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736303985 598390863 /nfs/dbraw/zinc/39/08/63/598390863.db2.gz MSAMUPWWWKCGHL-ZDUSSCGKSA-N -1 3 379.468 3.574 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(OCc2ccccn2)cc1 ZINC000737558896 598391151 /nfs/dbraw/zinc/39/11/51/598391151.db2.gz RAEADCYETXYJTC-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(OCc2ccccn2)cc1 ZINC000737558896 598391153 /nfs/dbraw/zinc/39/11/53/598391153.db2.gz RAEADCYETXYJTC-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccc(-c3nnn[n-]3)cc1)C1CC1)CC2 ZINC000737372499 598392957 /nfs/dbraw/zinc/39/29/57/598392957.db2.gz ZJGWHEYYOVSTJX-HXUWFJFHSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccc(-c3nn[n-]n3)cc1)C1CC1)CC2 ZINC000737372499 598392960 /nfs/dbraw/zinc/39/29/60/598392960.db2.gz ZJGWHEYYOVSTJX-HXUWFJFHSA-N -1 3 388.475 3.537 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735639998 598403144 /nfs/dbraw/zinc/40/31/44/598403144.db2.gz UCRYSCLADBGANR-UHFFFAOYSA-N -1 3 399.426 3.610 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735639998 598403145 /nfs/dbraw/zinc/40/31/45/598403145.db2.gz UCRYSCLADBGANR-UHFFFAOYSA-N -1 3 399.426 3.610 20 0 GHADHM Cc1ccsc1-c1nn(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c(=S)o1 ZINC000737442201 598403494 /nfs/dbraw/zinc/40/34/94/598403494.db2.gz NPQSDTWXOWXLDX-UHFFFAOYSA-N -1 3 399.505 3.512 20 0 GHADHM Cc1ccsc1-c1nn(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c(=S)o1 ZINC000737442201 598403496 /nfs/dbraw/zinc/40/34/96/598403496.db2.gz NPQSDTWXOWXLDX-UHFFFAOYSA-N -1 3 399.505 3.512 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738236738 598412273 /nfs/dbraw/zinc/41/22/73/598412273.db2.gz RVKCHHNABFMHMM-LJQANCHMSA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738236738 598412275 /nfs/dbraw/zinc/41/22/75/598412275.db2.gz RVKCHHNABFMHMM-LJQANCHMSA-N -1 3 378.432 3.610 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000521904141 598419167 /nfs/dbraw/zinc/41/91/67/598419167.db2.gz LGURCMVHOPPANY-UHFFFAOYSA-N -1 3 384.852 3.701 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000521904141 598419170 /nfs/dbraw/zinc/41/91/70/598419170.db2.gz LGURCMVHOPPANY-UHFFFAOYSA-N -1 3 384.852 3.701 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000737974526 598419195 /nfs/dbraw/zinc/41/91/95/598419195.db2.gz DCSYRGMWVMLVNQ-UHFFFAOYSA-N -1 3 390.472 3.722 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000737974526 598419196 /nfs/dbraw/zinc/41/91/96/598419196.db2.gz DCSYRGMWVMLVNQ-UHFFFAOYSA-N -1 3 390.472 3.722 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737860179 598420400 /nfs/dbraw/zinc/42/04/00/598420400.db2.gz OLMLAZOWZPQFRE-UHFFFAOYSA-N -1 3 385.836 3.668 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737860179 598420402 /nfs/dbraw/zinc/42/04/02/598420402.db2.gz OLMLAZOWZPQFRE-UHFFFAOYSA-N -1 3 385.836 3.668 20 0 GHADHM Cc1nnc(NCC(C)(C)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000737521610 598421045 /nfs/dbraw/zinc/42/10/45/598421045.db2.gz PYCOFPBUPIWTLP-UHFFFAOYSA-N -1 3 391.401 3.682 20 0 GHADHM Cc1nnc(NCC(C)(C)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000737521610 598421046 /nfs/dbraw/zinc/42/10/46/598421046.db2.gz PYCOFPBUPIWTLP-UHFFFAOYSA-N -1 3 391.401 3.682 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1sccc1SC(F)F ZINC000736818413 598421152 /nfs/dbraw/zinc/42/11/52/598421152.db2.gz PEYAHNKOHMOWBK-UHFFFAOYSA-N -1 3 381.433 3.515 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1sccc1SC(F)F ZINC000736818413 598421154 /nfs/dbraw/zinc/42/11/54/598421154.db2.gz PEYAHNKOHMOWBK-UHFFFAOYSA-N -1 3 381.433 3.515 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000735874202 598427063 /nfs/dbraw/zinc/42/70/63/598427063.db2.gz OJAGHZWQOBPODX-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000735874202 598427064 /nfs/dbraw/zinc/42/70/64/598427064.db2.gz OJAGHZWQOBPODX-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735831845 598429406 /nfs/dbraw/zinc/42/94/06/598429406.db2.gz WGJMZUFIRVIMNT-INIZCTEOSA-N -1 3 378.480 3.796 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735831845 598429409 /nfs/dbraw/zinc/42/94/09/598429409.db2.gz WGJMZUFIRVIMNT-INIZCTEOSA-N -1 3 378.480 3.796 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737859325 598431378 /nfs/dbraw/zinc/43/13/78/598431378.db2.gz AHTGKYDTZGUENH-UHFFFAOYSA-N -1 3 399.863 3.806 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737859325 598431380 /nfs/dbraw/zinc/43/13/80/598431380.db2.gz AHTGKYDTZGUENH-UHFFFAOYSA-N -1 3 399.863 3.806 20 0 GHADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501210 598443281 /nfs/dbraw/zinc/44/32/81/598443281.db2.gz APQSRKPCTSGZRG-CABCVRRESA-N -1 3 379.464 3.589 20 0 GHADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501210 598443282 /nfs/dbraw/zinc/44/32/82/598443282.db2.gz APQSRKPCTSGZRG-CABCVRRESA-N -1 3 379.464 3.589 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000738261202 598446668 /nfs/dbraw/zinc/44/66/68/598446668.db2.gz KDOYGNYNRFQMCF-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000738261202 598446669 /nfs/dbraw/zinc/44/66/69/598446669.db2.gz KDOYGNYNRFQMCF-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Oc1ccccc1 ZINC000736117164 598450703 /nfs/dbraw/zinc/45/07/03/598450703.db2.gz DRKUUGJYRCFADJ-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Oc1ccccc1 ZINC000736117164 598450705 /nfs/dbraw/zinc/45/07/05/598450705.db2.gz DRKUUGJYRCFADJ-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000738260389 598453842 /nfs/dbraw/zinc/45/38/42/598453842.db2.gz CPOKLEYAFPBIAA-UHFFFAOYSA-N -1 3 398.470 4.000 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000738260389 598453844 /nfs/dbraw/zinc/45/38/44/598453844.db2.gz CPOKLEYAFPBIAA-UHFFFAOYSA-N -1 3 398.470 4.000 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000737662820 598458014 /nfs/dbraw/zinc/45/80/14/598458014.db2.gz ZNJOLTDJBFZPEU-OAHLLOKOSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1nn[n-]n1 ZINC000737662820 598458015 /nfs/dbraw/zinc/45/80/15/598458015.db2.gz ZNJOLTDJBFZPEU-OAHLLOKOSA-N -1 3 394.237 3.891 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000737417068 598473338 /nfs/dbraw/zinc/47/33/38/598473338.db2.gz FPYKGOFHCPKTNN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000737417068 598473339 /nfs/dbraw/zinc/47/33/39/598473339.db2.gz FPYKGOFHCPKTNN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737320587 598486631 /nfs/dbraw/zinc/48/66/31/598486631.db2.gz RMSZYBKHUZKJDZ-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737320587 598486632 /nfs/dbraw/zinc/48/66/32/598486632.db2.gz RMSZYBKHUZKJDZ-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158803 598487515 /nfs/dbraw/zinc/48/75/15/598487515.db2.gz JMYBVBGIOWOMRY-ZDUSSCGKSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158803 598487517 /nfs/dbraw/zinc/48/75/17/598487517.db2.gz JMYBVBGIOWOMRY-ZDUSSCGKSA-N -1 3 391.456 3.837 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1-c1nccs1 ZINC000737238970 598489264 /nfs/dbraw/zinc/48/92/64/598489264.db2.gz VYKVCFUPJRYXIO-ZDUSSCGKSA-N -1 3 394.460 3.649 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1-c1nccs1 ZINC000737238970 598489266 /nfs/dbraw/zinc/48/92/66/598489266.db2.gz VYKVCFUPJRYXIO-ZDUSSCGKSA-N -1 3 394.460 3.649 20 0 GHADHM Cc1cc(C)c2cc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)sc2n1 ZINC000737249422 598489870 /nfs/dbraw/zinc/48/98/70/598489870.db2.gz YSRJLIKJDMNHTO-UHFFFAOYSA-N -1 3 395.492 3.902 20 0 GHADHM Cc1cc(C)c2cc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)sc2n1 ZINC000737249422 598489871 /nfs/dbraw/zinc/48/98/71/598489871.db2.gz YSRJLIKJDMNHTO-UHFFFAOYSA-N -1 3 395.492 3.902 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2Cl)c1-c1nnn[n-]1 ZINC000736675773 598494217 /nfs/dbraw/zinc/49/42/17/598494217.db2.gz MTBYGLQWWCQXBP-UHFFFAOYSA-N -1 3 377.857 3.713 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2Cl)c1-c1nn[n-]n1 ZINC000736675773 598494219 /nfs/dbraw/zinc/49/42/19/598494219.db2.gz MTBYGLQWWCQXBP-UHFFFAOYSA-N -1 3 377.857 3.713 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738261408 598495472 /nfs/dbraw/zinc/49/54/72/598495472.db2.gz NAGOJNIHIOCOCP-OAQYLSRUSA-N -1 3 381.439 3.655 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738261408 598495473 /nfs/dbraw/zinc/49/54/73/598495473.db2.gz NAGOJNIHIOCOCP-OAQYLSRUSA-N -1 3 381.439 3.655 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736447869 598495871 /nfs/dbraw/zinc/49/58/71/598495871.db2.gz VBASEJUDILZHNA-GOSISDBHSA-N -1 3 398.555 3.902 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736447869 598495872 /nfs/dbraw/zinc/49/58/72/598495872.db2.gz VBASEJUDILZHNA-GOSISDBHSA-N -1 3 398.555 3.902 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000738383285 598504394 /nfs/dbraw/zinc/50/43/94/598504394.db2.gz AMUOBEPSVYYVAG-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000738383285 598504395 /nfs/dbraw/zinc/50/43/95/598504395.db2.gz AMUOBEPSVYYVAG-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000736675820 598517325 /nfs/dbraw/zinc/51/73/25/598517325.db2.gz OYLRPRPTRKEWTM-UHFFFAOYSA-N -1 3 395.410 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000736675820 598517326 /nfs/dbraw/zinc/51/73/26/598517326.db2.gz OYLRPRPTRKEWTM-UHFFFAOYSA-N -1 3 395.410 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000736670811 598518562 /nfs/dbraw/zinc/51/85/62/598518562.db2.gz SITKWDLYZCASNM-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000736670811 598518563 /nfs/dbraw/zinc/51/85/63/598518563.db2.gz SITKWDLYZCASNM-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCc1cccc(Br)c1 ZINC000737559438 598537855 /nfs/dbraw/zinc/53/78/55/598537855.db2.gz XOXPKCVAWSJTKX-UHFFFAOYSA-N -1 3 393.676 3.722 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCc1cccc(Br)c1 ZINC000737559438 598537857 /nfs/dbraw/zinc/53/78/57/598537857.db2.gz XOXPKCVAWSJTKX-UHFFFAOYSA-N -1 3 393.676 3.722 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@@H]1C ZINC000736251344 598538446 /nfs/dbraw/zinc/53/84/46/598538446.db2.gz ILNSBEZADXBKLX-LBTNJELSSA-N -1 3 395.463 3.593 20 0 GHADHM CCCCC[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736440579 598539064 /nfs/dbraw/zinc/53/90/64/598539064.db2.gz FBXNIKYENBSXSM-AWEZNQCLSA-N -1 3 383.452 3.737 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1Cl ZINC000735735654 598542989 /nfs/dbraw/zinc/54/29/89/598542989.db2.gz PNYIDUOXKQVMLD-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1Cl ZINC000735735654 598542990 /nfs/dbraw/zinc/54/29/90/598542990.db2.gz PNYIDUOXKQVMLD-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM Cc1ccc(SCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737368432 598546745 /nfs/dbraw/zinc/54/67/45/598546745.db2.gz JQWVZROBHFGPRP-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM Cc1ccc(SCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737368432 598546749 /nfs/dbraw/zinc/54/67/49/598546749.db2.gz JQWVZROBHFGPRP-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(-n2cccc2)c1 ZINC000738147395 598547391 /nfs/dbraw/zinc/54/73/91/598547391.db2.gz VPINNGMSWKNYIK-UHFFFAOYSA-N -1 3 396.357 3.511 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(-n2cccc2)c1 ZINC000738147395 598547393 /nfs/dbraw/zinc/54/73/93/598547393.db2.gz VPINNGMSWKNYIK-UHFFFAOYSA-N -1 3 396.357 3.511 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(Cl)cc1F ZINC000738146193 598547752 /nfs/dbraw/zinc/54/77/52/598547752.db2.gz QUQJQZYTRLFDNJ-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(Cl)cc1F ZINC000738146193 598547754 /nfs/dbraw/zinc/54/77/54/598547754.db2.gz QUQJQZYTRLFDNJ-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737120441 598554534 /nfs/dbraw/zinc/55/45/34/598554534.db2.gz AJDBBVBAHRFITI-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737120441 598554537 /nfs/dbraw/zinc/55/45/37/598554537.db2.gz AJDBBVBAHRFITI-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccc(Cl)n1 ZINC000738171163 598555808 /nfs/dbraw/zinc/55/58/08/598555808.db2.gz DHTMKSQHJKWEQC-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccc(Cl)n1 ZINC000738171163 598555810 /nfs/dbraw/zinc/55/58/10/598555810.db2.gz DHTMKSQHJKWEQC-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1(C(F)(F)F)CC1 ZINC000738173978 598556054 /nfs/dbraw/zinc/55/60/54/598556054.db2.gz WPAIJYMUOQICPI-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1(C(F)(F)F)CC1 ZINC000738173978 598556056 /nfs/dbraw/zinc/55/60/56/598556056.db2.gz WPAIJYMUOQICPI-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000736818431 598558595 /nfs/dbraw/zinc/55/85/95/598558595.db2.gz PMZDBEVLZBAEFK-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000736818431 598558598 /nfs/dbraw/zinc/55/85/98/598558598.db2.gz PMZDBEVLZBAEFK-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736346327 598559305 /nfs/dbraw/zinc/55/93/05/598559305.db2.gz YCPWTCCCFRPBAV-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736346327 598559307 /nfs/dbraw/zinc/55/93/07/598559307.db2.gz YCPWTCCCFRPBAV-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736346325 598559423 /nfs/dbraw/zinc/55/94/23/598559423.db2.gz YCPWTCCCFRPBAV-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736346325 598559425 /nfs/dbraw/zinc/55/94/25/598559425.db2.gz YCPWTCCCFRPBAV-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC[C@@H]1C[C@H]1C ZINC000737280285 598559471 /nfs/dbraw/zinc/55/94/71/598559471.db2.gz PGBAEWAVWSUNKU-DYVFJYSZSA-N -1 3 392.463 3.532 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC[C@@H]1C[C@H]1C ZINC000737280285 598559472 /nfs/dbraw/zinc/55/94/72/598559472.db2.gz PGBAEWAVWSUNKU-DYVFJYSZSA-N -1 3 392.463 3.532 20 0 GHADHM CC1CCC(N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736238849 598560516 /nfs/dbraw/zinc/56/05/16/598560516.db2.gz DYISOUIDJWBQMU-UHFFFAOYSA-N -1 3 380.399 3.511 20 0 GHADHM CC1CCC(N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736238849 598560517 /nfs/dbraw/zinc/56/05/17/598560517.db2.gz DYISOUIDJWBQMU-UHFFFAOYSA-N -1 3 380.399 3.511 20 0 GHADHM O=C(Nc1nccs1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738173450 598562863 /nfs/dbraw/zinc/56/28/63/598562863.db2.gz QSDFSEHKXKUERJ-UHFFFAOYSA-N -1 3 379.405 3.760 20 0 GHADHM O=C(Nc1nccs1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738173450 598562866 /nfs/dbraw/zinc/56/28/66/598562866.db2.gz QSDFSEHKXKUERJ-UHFFFAOYSA-N -1 3 379.405 3.760 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735904129 598569129 /nfs/dbraw/zinc/56/91/29/598569129.db2.gz LOMFZWZSKJUQOW-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735904129 598569130 /nfs/dbraw/zinc/56/91/30/598569130.db2.gz LOMFZWZSKJUQOW-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000736134335 598572268 /nfs/dbraw/zinc/57/22/68/598572268.db2.gz BRQSGQFZRZDCRR-SECBINFHSA-N -1 3 377.326 3.787 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000736134335 598572269 /nfs/dbraw/zinc/57/22/69/598572269.db2.gz BRQSGQFZRZDCRR-SECBINFHSA-N -1 3 377.326 3.787 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737947500 598588110 /nfs/dbraw/zinc/58/81/10/598588110.db2.gz NGYFRCCMYPPADR-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737947500 598588112 /nfs/dbraw/zinc/58/81/12/598588112.db2.gz NGYFRCCMYPPADR-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735904892 598590305 /nfs/dbraw/zinc/59/03/05/598590305.db2.gz VUTHANTUVIGXOQ-UHFFFAOYSA-N -1 3 395.394 3.929 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735904892 598590306 /nfs/dbraw/zinc/59/03/06/598590306.db2.gz VUTHANTUVIGXOQ-UHFFFAOYSA-N -1 3 395.394 3.929 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000735447950 598591516 /nfs/dbraw/zinc/59/15/16/598591516.db2.gz MXQMPTCAEXGCDV-UKTHLTGXSA-N -1 3 393.422 3.880 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000735447950 598591518 /nfs/dbraw/zinc/59/15/18/598591518.db2.gz MXQMPTCAEXGCDV-UKTHLTGXSA-N -1 3 393.422 3.880 20 0 GHADHM Cc1cc(N[C@@H](C)c2cccc(O)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274504 598606402 /nfs/dbraw/zinc/60/64/02/598606402.db2.gz NFRGAGBFBNEKMT-ZDUSSCGKSA-N -1 3 385.431 3.855 20 0 GHADHM Cc1cc(N[C@@H](C)c2cccc(O)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274504 598606403 /nfs/dbraw/zinc/60/64/03/598606403.db2.gz NFRGAGBFBNEKMT-ZDUSSCGKSA-N -1 3 385.431 3.855 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737851286 598609898 /nfs/dbraw/zinc/60/98/98/598609898.db2.gz FUNQRIWMIKTEKI-SFTDATJTSA-N -1 3 389.503 3.717 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737851286 598609900 /nfs/dbraw/zinc/60/99/00/598609900.db2.gz FUNQRIWMIKTEKI-SFTDATJTSA-N -1 3 389.503 3.717 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112562 598622806 /nfs/dbraw/zinc/62/28/06/598622806.db2.gz JHAFBHDZWKCUGD-ZDUSSCGKSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112562 598622808 /nfs/dbraw/zinc/62/28/08/598622808.db2.gz JHAFBHDZWKCUGD-ZDUSSCGKSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000736115242 598624065 /nfs/dbraw/zinc/62/40/65/598624065.db2.gz GHIQHFSHLQPBKM-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736115242 598624067 /nfs/dbraw/zinc/62/40/67/598624067.db2.gz GHIQHFSHLQPBKM-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198156 598630550 /nfs/dbraw/zinc/63/05/50/598630550.db2.gz GXBAKWHFQCDOKY-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198156 598630552 /nfs/dbraw/zinc/63/05/52/598630552.db2.gz GXBAKWHFQCDOKY-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735914380 598630574 /nfs/dbraw/zinc/63/05/74/598630574.db2.gz QSBPKQWDPGVLAZ-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735914380 598630576 /nfs/dbraw/zinc/63/05/76/598630576.db2.gz QSBPKQWDPGVLAZ-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000737948252 598648058 /nfs/dbraw/zinc/64/80/58/598648058.db2.gz RFDZWASBMHCNBP-UHFFFAOYSA-N -1 3 380.351 3.583 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000737948252 598648060 /nfs/dbraw/zinc/64/80/60/598648060.db2.gz RFDZWASBMHCNBP-UHFFFAOYSA-N -1 3 380.351 3.583 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1N1CCCC1 ZINC000737273515 598650800 /nfs/dbraw/zinc/65/08/00/598650800.db2.gz DOXCPPIABOHWDV-UHFFFAOYSA-N -1 3 394.504 3.506 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1N1CCCC1 ZINC000737273515 598650802 /nfs/dbraw/zinc/65/08/02/598650802.db2.gz DOXCPPIABOHWDV-UHFFFAOYSA-N -1 3 394.504 3.506 20 0 GHADHM CC(C)[C@H](C)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000735701737 598650887 /nfs/dbraw/zinc/65/08/87/598650887.db2.gz KWQZAWSMFZVMIO-AWEZNQCLSA-N -1 3 392.463 3.703 20 0 GHADHM CC(C)[C@H](C)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000735701737 598650889 /nfs/dbraw/zinc/65/08/89/598650889.db2.gz KWQZAWSMFZVMIO-AWEZNQCLSA-N -1 3 392.463 3.703 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C(C)c1cccc(F)c1 ZINC000736479947 598651525 /nfs/dbraw/zinc/65/15/25/598651525.db2.gz NIPXIOYNZWNYDT-QINSGFPZSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C(C)c1cccc(F)c1 ZINC000736479947 598651526 /nfs/dbraw/zinc/65/15/26/598651526.db2.gz NIPXIOYNZWNYDT-QINSGFPZSA-N -1 3 379.439 3.848 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1cccc(F)c1 ZINC000735449892 598653687 /nfs/dbraw/zinc/65/36/87/598653687.db2.gz UXWLGXMDCMTSKA-LCYFTJDESA-N -1 3 381.411 3.835 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1cccc(F)c1 ZINC000735449892 598653688 /nfs/dbraw/zinc/65/36/88/598653688.db2.gz UXWLGXMDCMTSKA-LCYFTJDESA-N -1 3 381.411 3.835 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737285717 598653668 /nfs/dbraw/zinc/65/36/68/598653668.db2.gz TYUQSDLOGKNYND-MRXNPFEDSA-N -1 3 397.504 3.690 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737285717 598653670 /nfs/dbraw/zinc/65/36/70/598653670.db2.gz TYUQSDLOGKNYND-MRXNPFEDSA-N -1 3 397.504 3.690 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000737947450 598654468 /nfs/dbraw/zinc/65/44/68/598654468.db2.gz KOZOIYDAGCRNOP-UHFFFAOYSA-N -1 3 392.444 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000737947450 598654470 /nfs/dbraw/zinc/65/44/70/598654470.db2.gz KOZOIYDAGCRNOP-UHFFFAOYSA-N -1 3 392.444 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000737941427 598657474 /nfs/dbraw/zinc/65/74/74/598657474.db2.gz AJIPTAYZRHEPHN-OALUTQOASA-N -1 3 393.516 3.801 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000737941427 598657476 /nfs/dbraw/zinc/65/74/76/598657476.db2.gz AJIPTAYZRHEPHN-OALUTQOASA-N -1 3 393.516 3.801 20 0 GHADHM C[C@@H](CN(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735994762 598657680 /nfs/dbraw/zinc/65/76/80/598657680.db2.gz JMWOFFYFSDNNLZ-KRWDZBQOSA-N -1 3 393.491 3.678 20 0 GHADHM C[C@@H](CN(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735994762 598657681 /nfs/dbraw/zinc/65/76/81/598657681.db2.gz JMWOFFYFSDNNLZ-KRWDZBQOSA-N -1 3 393.491 3.678 20 0 GHADHM CC[C@@H](C)[C@@H](C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736327817 598665145 /nfs/dbraw/zinc/66/51/45/598665145.db2.gz GHFMNUQVNFWYRD-HZPDHXFCSA-N -1 3 385.512 3.841 20 0 GHADHM CC[C@@H](C)[C@@H](C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736327817 598665147 /nfs/dbraw/zinc/66/51/47/598665147.db2.gz GHFMNUQVNFWYRD-HZPDHXFCSA-N -1 3 385.512 3.841 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737822940 598665422 /nfs/dbraw/zinc/66/54/22/598665422.db2.gz DFCKPEFMFNMFQC-QGZVFWFLSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737822940 598665424 /nfs/dbraw/zinc/66/54/24/598665424.db2.gz DFCKPEFMFNMFQC-QGZVFWFLSA-N -1 3 393.447 3.947 20 0 GHADHM CCCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736469320 598668164 /nfs/dbraw/zinc/66/81/64/598668164.db2.gz NJZHMRHRVCPYPP-ZDUSSCGKSA-N -1 3 385.855 3.731 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000735761647 598675255 /nfs/dbraw/zinc/67/52/55/598675255.db2.gz OTSXAHXYFQKQEM-GFCCVEGCSA-N -1 3 387.875 3.736 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000735761647 598675257 /nfs/dbraw/zinc/67/52/57/598675257.db2.gz OTSXAHXYFQKQEM-GFCCVEGCSA-N -1 3 387.875 3.736 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736390208 598712216 /nfs/dbraw/zinc/71/22/16/598712216.db2.gz HTQUVZYNRRJHBZ-IBGZPJMESA-N -1 3 399.520 3.665 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736390208 598712218 /nfs/dbraw/zinc/71/22/18/598712218.db2.gz HTQUVZYNRRJHBZ-IBGZPJMESA-N -1 3 399.520 3.665 20 0 GHADHM c1cn(Cc2csc(Cc3ccccc3)n2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738433950 598723956 /nfs/dbraw/zinc/72/39/56/598723956.db2.gz ZVHLZKMDLMZIIB-UHFFFAOYSA-N -1 3 399.483 3.826 20 0 GHADHM c1cn(Cc2csc(Cc3ccccc3)n2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738433950 598723957 /nfs/dbraw/zinc/72/39/57/598723957.db2.gz ZVHLZKMDLMZIIB-UHFFFAOYSA-N -1 3 399.483 3.826 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC/C=C\c1ccccc1 ZINC000737841544 598726184 /nfs/dbraw/zinc/72/61/84/598726184.db2.gz LOCWVMAHLYLUOG-YFHOEESVSA-N -1 3 378.432 3.672 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC/C=C\c1ccccc1 ZINC000737841544 598726185 /nfs/dbraw/zinc/72/61/85/598726185.db2.gz LOCWVMAHLYLUOG-YFHOEESVSA-N -1 3 378.432 3.672 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000736298052 598731948 /nfs/dbraw/zinc/73/19/48/598731948.db2.gz OLBRQZFEMHCEQH-FOIQADDNSA-N -1 3 390.491 3.720 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000736298052 598731949 /nfs/dbraw/zinc/73/19/49/598731949.db2.gz OLBRQZFEMHCEQH-FOIQADDNSA-N -1 3 390.491 3.720 20 0 GHADHM CC(C)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCC1 ZINC000735857294 598734456 /nfs/dbraw/zinc/73/44/56/598734456.db2.gz SFVQMWZHHDHOQE-UHFFFAOYSA-N -1 3 395.463 3.832 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736664706 598745549 /nfs/dbraw/zinc/74/55/49/598745549.db2.gz CLCKVRYELMXXQB-KGLIPLIRSA-N -1 3 397.504 3.623 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736664706 598745551 /nfs/dbraw/zinc/74/55/51/598745551.db2.gz CLCKVRYELMXXQB-KGLIPLIRSA-N -1 3 397.504 3.623 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000736349129 598763162 /nfs/dbraw/zinc/76/31/62/598763162.db2.gz DQNYRFMNTYYXRV-CYBMUJFWSA-N -1 3 386.839 3.703 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000736349129 598763164 /nfs/dbraw/zinc/76/31/64/598763164.db2.gz DQNYRFMNTYYXRV-CYBMUJFWSA-N -1 3 386.839 3.703 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3cccc(F)c3F)c2c1 ZINC000737652906 598774737 /nfs/dbraw/zinc/77/47/37/598774737.db2.gz PMRIUZOJCPNWJT-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3cccc(F)c3F)c2c1 ZINC000737652906 598774739 /nfs/dbraw/zinc/77/47/39/598774739.db2.gz PMRIUZOJCPNWJT-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820174246 607366805 /nfs/dbraw/zinc/36/68/05/607366805.db2.gz PMBRSINXJWFCFW-UHFFFAOYSA-N -1 3 390.419 3.741 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820174246 607366808 /nfs/dbraw/zinc/36/68/08/607366808.db2.gz PMBRSINXJWFCFW-UHFFFAOYSA-N -1 3 390.419 3.741 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737419191 598782689 /nfs/dbraw/zinc/78/26/89/598782689.db2.gz DQMUGKBCOJHIMQ-IBGZPJMESA-N -1 3 396.470 3.901 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737419191 598782690 /nfs/dbraw/zinc/78/26/90/598782690.db2.gz DQMUGKBCOJHIMQ-IBGZPJMESA-N -1 3 396.470 3.901 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)cc2n1 ZINC000737379178 598789031 /nfs/dbraw/zinc/78/90/31/598789031.db2.gz DQXOFZSWGVWXDX-UHFFFAOYSA-N -1 3 380.433 3.509 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)cc2n1 ZINC000737379178 598789033 /nfs/dbraw/zinc/78/90/33/598789033.db2.gz DQXOFZSWGVWXDX-UHFFFAOYSA-N -1 3 380.433 3.509 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc(C(F)F)c1 ZINC000738212504 598789353 /nfs/dbraw/zinc/78/93/53/598789353.db2.gz WBIOXVVCGMTYCE-UHFFFAOYSA-N -1 3 375.404 3.997 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc(C(F)F)c1 ZINC000738212504 598789354 /nfs/dbraw/zinc/78/93/54/598789354.db2.gz WBIOXVVCGMTYCE-UHFFFAOYSA-N -1 3 375.404 3.997 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc2nc(C)ccc2o1 ZINC000736627739 598789992 /nfs/dbraw/zinc/78/99/92/598789992.db2.gz MRAPZZOWYOTKJI-UHFFFAOYSA-N -1 3 399.794 3.588 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc2nc(C)ccc2o1 ZINC000736627739 598789993 /nfs/dbraw/zinc/78/99/93/598789993.db2.gz MRAPZZOWYOTKJI-UHFFFAOYSA-N -1 3 399.794 3.588 20 0 GHADHM O=C([C@H]1CCc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737792259 598790515 /nfs/dbraw/zinc/79/05/15/598790515.db2.gz NCWHUHXDJXRHIQ-SFHVURJKSA-N -1 3 385.427 3.723 20 0 GHADHM O=C([C@H]1CCc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737792259 598790516 /nfs/dbraw/zinc/79/05/16/598790516.db2.gz NCWHUHXDJXRHIQ-SFHVURJKSA-N -1 3 385.427 3.723 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737824042 598807942 /nfs/dbraw/zinc/80/79/42/598807942.db2.gz SYWXOCDXERSFGS-KRWDZBQOSA-N -1 3 399.458 3.501 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737825609 598816214 /nfs/dbraw/zinc/81/62/14/598816214.db2.gz MJWVKODDOKGXKU-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737825609 598816215 /nfs/dbraw/zinc/81/62/15/598816215.db2.gz MJWVKODDOKGXKU-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000736165437 598823019 /nfs/dbraw/zinc/82/30/19/598823019.db2.gz UZFWHFGSDNYRMR-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM CC(C)[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820017373 599299224 /nfs/dbraw/zinc/29/92/24/599299224.db2.gz VLNGNWCEMIWEKA-LBPRGKRZSA-N -1 3 384.415 3.964 20 0 GHADHM CC(C)[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820017373 599299226 /nfs/dbraw/zinc/29/92/26/599299226.db2.gz VLNGNWCEMIWEKA-LBPRGKRZSA-N -1 3 384.415 3.964 20 0 GHADHM CCN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505695 599309002 /nfs/dbraw/zinc/30/90/02/599309002.db2.gz RLKUZJYIRVADMK-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505695 599309005 /nfs/dbraw/zinc/30/90/05/599309005.db2.gz RLKUZJYIRVADMK-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM COC(=O)c1cccc(OCCS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736948665 599326763 /nfs/dbraw/zinc/32/67/63/599326763.db2.gz OCAGETRDQKUHSY-ZDUSSCGKSA-N -1 3 384.461 3.527 20 0 GHADHM COC(=O)c1cccc(OCCS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736948665 599326766 /nfs/dbraw/zinc/32/67/66/599326766.db2.gz OCAGETRDQKUHSY-ZDUSSCGKSA-N -1 3 384.461 3.527 20 0 GHADHM COC(=O)c1cccc(OCCS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736948663 599327047 /nfs/dbraw/zinc/32/70/47/599327047.db2.gz OCAGETRDQKUHSY-CYBMUJFWSA-N -1 3 384.461 3.527 20 0 GHADHM COC(=O)c1cccc(OCCS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736948663 599327050 /nfs/dbraw/zinc/32/70/50/599327050.db2.gz OCAGETRDQKUHSY-CYBMUJFWSA-N -1 3 384.461 3.527 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(Br)c1 ZINC000736633625 599327446 /nfs/dbraw/zinc/32/74/46/599327446.db2.gz CNXGXVCSKFDBJO-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(Br)c1 ZINC000736633625 599327449 /nfs/dbraw/zinc/32/74/49/599327449.db2.gz CNXGXVCSKFDBJO-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736190431 599328444 /nfs/dbraw/zinc/32/84/44/599328444.db2.gz RZHUBDVGQBKXLZ-JYJNAYRXSA-N -1 3 395.532 3.969 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736190431 599328445 /nfs/dbraw/zinc/32/84/45/599328445.db2.gz RZHUBDVGQBKXLZ-JYJNAYRXSA-N -1 3 395.532 3.969 20 0 GHADHM CCCc1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000736495231 599330519 /nfs/dbraw/zinc/33/05/19/599330519.db2.gz JUTHCZUIMUVXER-UHFFFAOYSA-N -1 3 377.408 3.607 20 0 GHADHM FC(F)(F)COCCNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737626746 599331271 /nfs/dbraw/zinc/33/12/71/599331271.db2.gz KSIWRGXSWBOSIH-UHFFFAOYSA-N -1 3 379.342 3.650 20 0 GHADHM FC(F)(F)COCCNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737626746 599331273 /nfs/dbraw/zinc/33/12/73/599331273.db2.gz KSIWRGXSWBOSIH-UHFFFAOYSA-N -1 3 379.342 3.650 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188285 599333104 /nfs/dbraw/zinc/33/31/04/599333104.db2.gz KCCDACWQNWLKMM-SCLBCKFNSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188285 599333106 /nfs/dbraw/zinc/33/31/06/599333106.db2.gz KCCDACWQNWLKMM-SCLBCKFNSA-N -1 3 397.479 3.996 20 0 GHADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000737895161 599333647 /nfs/dbraw/zinc/33/36/47/599333647.db2.gz MXJDTMNABCPHNU-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000737895161 599333650 /nfs/dbraw/zinc/33/36/50/599333650.db2.gz MXJDTMNABCPHNU-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737426039 599334129 /nfs/dbraw/zinc/33/41/29/599334129.db2.gz HYCMUSGBMVUBTF-CVEARBPZSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737426039 599334132 /nfs/dbraw/zinc/33/41/32/599334132.db2.gz HYCMUSGBMVUBTF-CVEARBPZSA-N -1 3 395.532 3.717 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1OCC(F)(F)F ZINC000821736455 607371308 /nfs/dbraw/zinc/37/13/08/607371308.db2.gz KHUPUQHULNXOCQ-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1OCC(F)(F)F ZINC000821736455 607371310 /nfs/dbraw/zinc/37/13/10/607371310.db2.gz KHUPUQHULNXOCQ-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM C[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)n1cccc1 ZINC000735978125 599371379 /nfs/dbraw/zinc/37/13/79/599371379.db2.gz UFTCUDDLJKSFJS-CYBMUJFWSA-N -1 3 378.461 3.987 20 0 GHADHM C[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)n1cccc1 ZINC000735978125 599371382 /nfs/dbraw/zinc/37/13/82/599371382.db2.gz UFTCUDDLJKSFJS-CYBMUJFWSA-N -1 3 378.461 3.987 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736313768 599373320 /nfs/dbraw/zinc/37/33/20/599373320.db2.gz JNVDFHFKLZEQJL-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736313768 599373323 /nfs/dbraw/zinc/37/33/23/599373323.db2.gz JNVDFHFKLZEQJL-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)O1 ZINC000820691507 599385013 /nfs/dbraw/zinc/38/50/13/599385013.db2.gz YBHMUIISBBQBNE-CZUORRHYSA-N -1 3 397.504 3.559 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213836 599389288 /nfs/dbraw/zinc/38/92/88/599389288.db2.gz CKZAPBJKIRTNJC-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178723 599408059 /nfs/dbraw/zinc/40/80/59/599408059.db2.gz ZDHKTNDIAWXUNN-LSDHHAIUSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178723 599408061 /nfs/dbraw/zinc/40/80/61/599408061.db2.gz ZDHKTNDIAWXUNN-LSDHHAIUSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000735648838 599437963 /nfs/dbraw/zinc/43/79/63/599437963.db2.gz HXRQCSCSHSPHFU-LJQANCHMSA-N -1 3 388.475 3.858 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000735648838 599437968 /nfs/dbraw/zinc/43/79/68/599437968.db2.gz HXRQCSCSHSPHFU-LJQANCHMSA-N -1 3 388.475 3.858 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000821105021 599447579 /nfs/dbraw/zinc/44/75/79/599447579.db2.gz VQVWUVMFPAYSLV-SIKLNZKXSA-N -1 3 390.491 3.519 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000821105021 599447581 /nfs/dbraw/zinc/44/75/81/599447581.db2.gz VQVWUVMFPAYSLV-SIKLNZKXSA-N -1 3 390.491 3.519 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000821612462 599450833 /nfs/dbraw/zinc/45/08/33/599450833.db2.gz WISVDPWKQLYLRB-UHFFFAOYSA-N -1 3 396.882 3.608 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000821612462 599450836 /nfs/dbraw/zinc/45/08/36/599450836.db2.gz WISVDPWKQLYLRB-UHFFFAOYSA-N -1 3 396.882 3.608 20 0 GHADHM Fc1ccccc1Oc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000822796482 599453079 /nfs/dbraw/zinc/45/30/79/599453079.db2.gz SMRRAPUWXJRBSP-UHFFFAOYSA-N -1 3 383.358 3.820 20 0 GHADHM Fc1ccccc1Oc1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000822796482 599453080 /nfs/dbraw/zinc/45/30/80/599453080.db2.gz SMRRAPUWXJRBSP-UHFFFAOYSA-N -1 3 383.358 3.820 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000821104699 599455579 /nfs/dbraw/zinc/45/55/79/599455579.db2.gz NQFXSARQGMNIFR-OAHLLOKOSA-N -1 3 396.495 3.711 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000821104699 599455581 /nfs/dbraw/zinc/45/55/81/599455581.db2.gz NQFXSARQGMNIFR-OAHLLOKOSA-N -1 3 396.495 3.711 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(Br)cc1Cl ZINC000822761280 599456918 /nfs/dbraw/zinc/45/69/18/599456918.db2.gz GOVMGTPVOAVIDF-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339939 599472996 /nfs/dbraw/zinc/47/29/96/599472996.db2.gz IAXYCYZVAVJDBF-INIZCTEOSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339939 599472998 /nfs/dbraw/zinc/47/29/98/599472998.db2.gz IAXYCYZVAVJDBF-INIZCTEOSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820668606 599476679 /nfs/dbraw/zinc/47/66/79/599476679.db2.gz VFTIRBBNEWEMFB-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820668606 599476681 /nfs/dbraw/zinc/47/66/81/599476681.db2.gz VFTIRBBNEWEMFB-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820340458 599480638 /nfs/dbraw/zinc/48/06/38/599480638.db2.gz KWPALJJJWPKEIO-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820340458 599480640 /nfs/dbraw/zinc/48/06/40/599480640.db2.gz KWPALJJJWPKEIO-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(OCCC(C)C)CC1 ZINC000822331645 599481173 /nfs/dbraw/zinc/48/11/73/599481173.db2.gz JEHGZNQFIDQRJO-UHFFFAOYSA-N -1 3 380.496 3.755 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(OCCC(C)C)CC1 ZINC000822331645 599481174 /nfs/dbraw/zinc/48/11/74/599481174.db2.gz JEHGZNQFIDQRJO-UHFFFAOYSA-N -1 3 380.496 3.755 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000736619078 599482210 /nfs/dbraw/zinc/48/22/10/599482210.db2.gz XFYZWMAOKFYEKM-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000736619078 599482211 /nfs/dbraw/zinc/48/22/11/599482211.db2.gz XFYZWMAOKFYEKM-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234766 599484939 /nfs/dbraw/zinc/48/49/39/599484939.db2.gz GWZMNZMPHQLIGH-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234766 599484941 /nfs/dbraw/zinc/48/49/41/599484941.db2.gz GWZMNZMPHQLIGH-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820232151 607381412 /nfs/dbraw/zinc/38/14/12/607381412.db2.gz FDDNRKIGLVPTAL-HWPZZCPQSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820232151 607381413 /nfs/dbraw/zinc/38/14/13/607381413.db2.gz FDDNRKIGLVPTAL-HWPZZCPQSA-N -1 3 395.360 3.949 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N[C@@H]1CC=CCC1 ZINC000738186434 599505226 /nfs/dbraw/zinc/50/52/26/599505226.db2.gz ZCSQBDXSKMPKGY-OAHLLOKOSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N[C@@H]1CC=CCC1 ZINC000738186434 599505229 /nfs/dbraw/zinc/50/52/29/599505229.db2.gz ZCSQBDXSKMPKGY-OAHLLOKOSA-N -1 3 376.420 3.889 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000822409638 599508949 /nfs/dbraw/zinc/50/89/49/599508949.db2.gz TUPWOTCBEWYREC-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)n1 ZINC000822409638 599508951 /nfs/dbraw/zinc/50/89/51/599508951.db2.gz TUPWOTCBEWYREC-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536815 599509495 /nfs/dbraw/zinc/50/94/95/599509495.db2.gz XTDRWJBPUWQETH-GJZGRUSLSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536815 599509497 /nfs/dbraw/zinc/50/94/97/599509497.db2.gz XTDRWJBPUWQETH-GJZGRUSLSA-N -1 3 393.491 3.809 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822229054 599513453 /nfs/dbraw/zinc/51/34/53/599513453.db2.gz LGHVSPMGJJQDSI-CVEARBPZSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822229054 599513456 /nfs/dbraw/zinc/51/34/56/599513456.db2.gz LGHVSPMGJJQDSI-CVEARBPZSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)coc2c1C ZINC000822274717 599515871 /nfs/dbraw/zinc/51/58/71/599515871.db2.gz GWJNEWSHEQKRJS-AWEZNQCLSA-N -1 3 375.432 3.650 20 0 GHADHM Cc1ccc2c(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)coc2c1C ZINC000822274717 599515873 /nfs/dbraw/zinc/51/58/73/599515873.db2.gz GWJNEWSHEQKRJS-AWEZNQCLSA-N -1 3 375.432 3.650 20 0 GHADHM CC(C)Cn1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820108521 599518467 /nfs/dbraw/zinc/51/84/67/599518467.db2.gz LUXCOROBMMINIF-HNNXBMFYSA-N -1 3 388.475 3.968 20 0 GHADHM CC(C)Cn1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820108521 599518469 /nfs/dbraw/zinc/51/84/69/599518469.db2.gz LUXCOROBMMINIF-HNNXBMFYSA-N -1 3 388.475 3.968 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(OCC2CC2)nc1 ZINC000737627901 599523114 /nfs/dbraw/zinc/52/31/14/599523114.db2.gz RKMTVNYKNMZMIE-UHFFFAOYSA-N -1 3 390.369 3.681 20 0 GHADHM C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820334983 599531108 /nfs/dbraw/zinc/53/11/08/599531108.db2.gz SAMMMTBLPHTNJT-CYBMUJFWSA-N -1 3 387.443 3.522 20 0 GHADHM C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820334983 599531111 /nfs/dbraw/zinc/53/11/11/599531111.db2.gz SAMMMTBLPHTNJT-CYBMUJFWSA-N -1 3 387.443 3.522 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820555088 599534662 /nfs/dbraw/zinc/53/46/62/599534662.db2.gz FXZHUWISIRVBJD-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820555088 599534665 /nfs/dbraw/zinc/53/46/65/599534665.db2.gz FXZHUWISIRVBJD-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327018 599536322 /nfs/dbraw/zinc/53/63/22/599536322.db2.gz CYTROCLIFRZLFC-HNNXBMFYSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327018 599536326 /nfs/dbraw/zinc/53/63/26/599536326.db2.gz CYTROCLIFRZLFC-HNNXBMFYSA-N -1 3 387.443 3.937 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccs1 ZINC000736625620 599539053 /nfs/dbraw/zinc/53/90/53/599539053.db2.gz DBAVZTDGWFZNKK-SECBINFHSA-N -1 3 378.841 3.689 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccs1 ZINC000736625620 599539057 /nfs/dbraw/zinc/53/90/57/599539057.db2.gz DBAVZTDGWFZNKK-SECBINFHSA-N -1 3 378.841 3.689 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(c2cccs2)CCCCC1 ZINC000736813442 599542490 /nfs/dbraw/zinc/54/24/90/599542490.db2.gz KFZLOTKRSGIWCY-UHFFFAOYSA-N -1 3 381.505 3.789 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(c2cccs2)CCCCC1 ZINC000736813442 599542492 /nfs/dbraw/zinc/54/24/92/599542492.db2.gz KFZLOTKRSGIWCY-UHFFFAOYSA-N -1 3 381.505 3.789 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccs2)CCCCC1 ZINC000738099673 599547413 /nfs/dbraw/zinc/54/74/13/599547413.db2.gz HYZPXWFPSIBFNB-UHFFFAOYSA-N -1 3 385.468 3.586 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccs2)CCCCC1 ZINC000738099673 599547415 /nfs/dbraw/zinc/54/74/15/599547415.db2.gz HYZPXWFPSIBFNB-UHFFFAOYSA-N -1 3 385.468 3.586 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820717888 599550602 /nfs/dbraw/zinc/55/06/02/599550602.db2.gz YGEXLSDDVUPYBM-BBRMVZONSA-N -1 3 383.477 3.552 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820717888 599550604 /nfs/dbraw/zinc/55/06/04/599550604.db2.gz YGEXLSDDVUPYBM-BBRMVZONSA-N -1 3 383.477 3.552 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332858 599558402 /nfs/dbraw/zinc/55/84/02/599558402.db2.gz WRCGBPWGYHUJOE-IERDGZPVSA-N -1 3 391.475 3.554 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113432 599600500 /nfs/dbraw/zinc/60/05/00/599600500.db2.gz NTLUTMOWOSIQMQ-BEVDRBHNSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113432 599600502 /nfs/dbraw/zinc/60/05/02/599600502.db2.gz NTLUTMOWOSIQMQ-BEVDRBHNSA-N -1 3 390.491 3.638 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737148292 599609237 /nfs/dbraw/zinc/60/92/37/599609237.db2.gz QFWLPEQCJHLLIU-GFCCVEGCSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737148292 599609239 /nfs/dbraw/zinc/60/92/39/599609239.db2.gz QFWLPEQCJHLLIU-GFCCVEGCSA-N -1 3 398.854 3.550 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737420537 599612046 /nfs/dbraw/zinc/61/20/46/599612046.db2.gz JPJAWCXZANUPKX-KGLIPLIRSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737420537 599612048 /nfs/dbraw/zinc/61/20/48/599612048.db2.gz JPJAWCXZANUPKX-KGLIPLIRSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CC(C)C ZINC000822184249 599623825 /nfs/dbraw/zinc/62/38/25/599623825.db2.gz QCHPZTRBKYFORA-UHFFFAOYSA-N -1 3 393.447 3.517 20 0 GHADHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CC(C)C ZINC000822184249 599623826 /nfs/dbraw/zinc/62/38/26/599623826.db2.gz QCHPZTRBKYFORA-UHFFFAOYSA-N -1 3 393.447 3.517 20 0 GHADHM CC[C@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913476 599625572 /nfs/dbraw/zinc/62/55/72/599625572.db2.gz GOXJGQRWZBQMGE-GOSISDBHSA-N -1 3 382.489 3.664 20 0 GHADHM CC[C@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913476 599625573 /nfs/dbraw/zinc/62/55/73/599625573.db2.gz GOXJGQRWZBQMGE-GOSISDBHSA-N -1 3 382.489 3.664 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1ccc(C(F)(F)F)cc1 ZINC000822935886 599625651 /nfs/dbraw/zinc/62/56/51/599625651.db2.gz PBOLASAQRYDBOY-JXMROGBWSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1ccc(C(F)(F)F)cc1 ZINC000822935886 599625652 /nfs/dbraw/zinc/62/56/52/599625652.db2.gz PBOLASAQRYDBOY-JXMROGBWSA-N -1 3 388.349 3.685 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820938895 599629338 /nfs/dbraw/zinc/62/93/38/599629338.db2.gz OFRNJZQFFNBJDX-VDGAXYAQSA-N -1 3 399.539 3.978 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820938895 599629339 /nfs/dbraw/zinc/62/93/39/599629339.db2.gz OFRNJZQFFNBJDX-VDGAXYAQSA-N -1 3 399.539 3.978 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000821401319 599630572 /nfs/dbraw/zinc/63/05/72/599630572.db2.gz VXFYNQVBXSEMSC-KMFMINBZSA-N -1 3 387.484 3.578 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000821401319 599630573 /nfs/dbraw/zinc/63/05/73/599630573.db2.gz VXFYNQVBXSEMSC-KMFMINBZSA-N -1 3 387.484 3.578 20 0 GHADHM CC(C)(C)c1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000819965331 599632547 /nfs/dbraw/zinc/63/25/47/599632547.db2.gz BSFCTBGTMWQINP-UHFFFAOYSA-N -1 3 396.398 3.892 20 0 GHADHM CC(C)(C)c1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000819965331 599632548 /nfs/dbraw/zinc/63/25/48/599632548.db2.gz BSFCTBGTMWQINP-UHFFFAOYSA-N -1 3 396.398 3.892 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CSc2ccccc21 ZINC000823303547 599634435 /nfs/dbraw/zinc/63/44/35/599634435.db2.gz MCGJWPIBYVUNOP-LBPRGKRZSA-N -1 3 391.378 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CSc2ccccc21 ZINC000823303547 599634436 /nfs/dbraw/zinc/63/44/36/599634436.db2.gz MCGJWPIBYVUNOP-LBPRGKRZSA-N -1 3 391.378 3.714 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000821230297 599636859 /nfs/dbraw/zinc/63/68/59/599636859.db2.gz FWZBMDGOHPMKFI-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000821230297 599636860 /nfs/dbraw/zinc/63/68/60/599636860.db2.gz FWZBMDGOHPMKFI-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM c1ccc([C@H](NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CCC2)cc1 ZINC000823772709 599638229 /nfs/dbraw/zinc/63/82/29/599638229.db2.gz MCLCAWAEAOADHY-IBGZPJMESA-N -1 3 387.447 3.548 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(Cl)ccc1Cl ZINC000820533252 599650259 /nfs/dbraw/zinc/65/02/59/599650259.db2.gz CRQHZUJZLVAXEJ-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM CC(C)CCc1nc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820081659 599651055 /nfs/dbraw/zinc/65/10/55/599651055.db2.gz PRZRIQGOWZPTHM-UHFFFAOYSA-N -1 3 385.493 3.588 20 0 GHADHM CC(C)CCc1nc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820081659 599651056 /nfs/dbraw/zinc/65/10/56/599651056.db2.gz PRZRIQGOWZPTHM-UHFFFAOYSA-N -1 3 385.493 3.588 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000822213971 599652003 /nfs/dbraw/zinc/65/20/03/599652003.db2.gz JTGUGJXXKYLBPR-KHPPLWFESA-N -1 3 387.399 3.587 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000822213971 599652004 /nfs/dbraw/zinc/65/20/04/599652004.db2.gz JTGUGJXXKYLBPR-KHPPLWFESA-N -1 3 387.399 3.587 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820966618 599655682 /nfs/dbraw/zinc/65/56/82/599655682.db2.gz FPNYJGDDHVNXLA-KXBFYZLASA-N -1 3 391.475 3.706 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820848258 599683035 /nfs/dbraw/zinc/68/30/35/599683035.db2.gz UNDVARQMXLXYHR-CQSZACIVSA-N -1 3 399.520 3.594 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820848258 599683036 /nfs/dbraw/zinc/68/30/36/599683036.db2.gz UNDVARQMXLXYHR-CQSZACIVSA-N -1 3 399.520 3.594 20 0 GHADHM CC[C@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2NC1=O ZINC000821002356 599689153 /nfs/dbraw/zinc/68/91/53/599689153.db2.gz WCTMEMNAZXLWAC-QLJPJBMISA-N -1 3 398.854 3.803 20 0 GHADHM CC[C@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2NC1=O ZINC000821002356 599689154 /nfs/dbraw/zinc/68/91/54/599689154.db2.gz WCTMEMNAZXLWAC-QLJPJBMISA-N -1 3 398.854 3.803 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000738560271 599825138 /nfs/dbraw/zinc/82/51/38/599825138.db2.gz LHOXYNHCVLRVGV-NRFANRHFSA-N -1 3 395.503 3.971 20 0 GHADHM Cc1oc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C(=O)[O-] ZINC000522008401 599851479 /nfs/dbraw/zinc/85/14/79/599851479.db2.gz QEGXZRNYLYWFRC-AWEZNQCLSA-N -1 3 385.395 3.855 20 0 GHADHM O=C([O-])CN(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000739796545 599866806 /nfs/dbraw/zinc/86/68/06/599866806.db2.gz VHWSAMFFPOKWOQ-UHFFFAOYSA-N -1 3 375.293 3.950 20 0 GHADHM Cc1sc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c(C(=O)[O-])c1C ZINC000738708126 599879717 /nfs/dbraw/zinc/87/97/17/599879717.db2.gz HUUNSEJTRNAACX-UHFFFAOYSA-N -1 3 389.521 3.967 20 0 GHADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN(C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000738828769 599932497 /nfs/dbraw/zinc/93/24/97/599932497.db2.gz CSSUNSSRZGWJDC-JTQLQIEISA-N -1 3 383.279 3.703 20 0 GHADHM Cc1sc(NC(=O)C[C@@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826349562 607783388 /nfs/dbraw/zinc/78/33/88/607783388.db2.gz MMRKPNSVULMMJP-MRVPVSSYSA-N -1 3 377.420 3.956 20 0 GHADHM Cc1sc(NC(=O)C[C@@H](C)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000826349562 607783389 /nfs/dbraw/zinc/78/33/89/607783389.db2.gz MMRKPNSVULMMJP-MRVPVSSYSA-N -1 3 377.420 3.956 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1-c1nnn[n-]1 ZINC000820165147 607425991 /nfs/dbraw/zinc/42/59/91/607425991.db2.gz NPHOSOXFUWSIRM-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1-c1nn[n-]n1 ZINC000820165147 607425993 /nfs/dbraw/zinc/42/59/93/607425993.db2.gz NPHOSOXFUWSIRM-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Oc2ccccc2)o1 ZINC000826428305 607421980 /nfs/dbraw/zinc/42/19/80/607421980.db2.gz XGJBNGQJLCJTKE-UHFFFAOYSA-N -1 3 387.399 3.671 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Oc2ccccc2)o1 ZINC000826428305 607421981 /nfs/dbraw/zinc/42/19/81/607421981.db2.gz XGJBNGQJLCJTKE-UHFFFAOYSA-N -1 3 387.399 3.671 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCCc3sccc3C2)cc1-c1nnn[n-]1 ZINC000820166378 607427946 /nfs/dbraw/zinc/42/79/46/607427946.db2.gz XIEYEBHEHXQSDH-UHFFFAOYSA-N -1 3 398.492 3.696 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCCc3sccc3C2)cc1-c1nn[n-]n1 ZINC000820166378 607427947 /nfs/dbraw/zinc/42/79/47/607427947.db2.gz XIEYEBHEHXQSDH-UHFFFAOYSA-N -1 3 398.492 3.696 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826470452 607429534 /nfs/dbraw/zinc/42/95/34/607429534.db2.gz QLTCCHRRMBBBIW-INIZCTEOSA-N -1 3 381.505 3.803 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826470452 607429535 /nfs/dbraw/zinc/42/95/35/607429535.db2.gz QLTCCHRRMBBBIW-INIZCTEOSA-N -1 3 381.505 3.803 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820166639 607430895 /nfs/dbraw/zinc/43/08/95/607430895.db2.gz YNSWIPTTXZHLRZ-ZDUSSCGKSA-N -1 3 378.436 3.763 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820166639 607430896 /nfs/dbraw/zinc/43/08/96/607430896.db2.gz YNSWIPTTXZHLRZ-ZDUSSCGKSA-N -1 3 378.436 3.763 20 0 GHADHM CN(Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000737482442 600347702 /nfs/dbraw/zinc/34/77/02/600347702.db2.gz MXCSCAPPWQHXSF-FQEVSTJZSA-N -1 3 396.491 3.583 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000738771696 600353925 /nfs/dbraw/zinc/35/39/25/600353925.db2.gz UJUIXCWCMLFHNC-UHFFFAOYSA-N -1 3 396.491 3.502 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000739380645 600399525 /nfs/dbraw/zinc/39/95/25/600399525.db2.gz BUOVYLXYEYRCEK-SFHVURJKSA-N -1 3 378.900 3.627 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737872 607441549 /nfs/dbraw/zinc/44/15/49/607441549.db2.gz KSGMOQDRMXWFTO-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737872 607441551 /nfs/dbraw/zinc/44/15/51/607441551.db2.gz KSGMOQDRMXWFTO-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c(C)nc2ccccc2c1C ZINC000826253951 607445566 /nfs/dbraw/zinc/44/55/66/607445566.db2.gz MKABTFZEVNZFLV-UHFFFAOYSA-N -1 3 387.443 3.626 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c(C)nc2ccccc2c1C ZINC000826253951 607445567 /nfs/dbraw/zinc/44/55/67/607445567.db2.gz MKABTFZEVNZFLV-UHFFFAOYSA-N -1 3 387.443 3.626 20 0 GHADHM Cc1oc(NC(=O)CN2CCCC[C@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233978 607452424 /nfs/dbraw/zinc/45/24/24/607452424.db2.gz ZCYWHACGVHAZAW-KRWDZBQOSA-N -1 3 394.479 3.551 20 0 GHADHM Cc1oc(NC(=O)CN2CCCC[C@H]2c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822233978 607452425 /nfs/dbraw/zinc/45/24/25/607452425.db2.gz ZCYWHACGVHAZAW-KRWDZBQOSA-N -1 3 394.479 3.551 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(C)(C)c1ccccc1 ZINC000824499648 607454972 /nfs/dbraw/zinc/45/49/72/607454972.db2.gz QLVPUIOEQYLPTO-OAHLLOKOSA-N -1 3 390.491 3.521 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(C)(C)c1ccccc1 ZINC000824499648 607454973 /nfs/dbraw/zinc/45/49/73/607454973.db2.gz QLVPUIOEQYLPTO-OAHLLOKOSA-N -1 3 390.491 3.521 20 0 GHADHM O=C(N[C@@H]1CCCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429512 607456434 /nfs/dbraw/zinc/45/64/34/607456434.db2.gz FTXNJGUDKNYJIO-LJQANCHMSA-N -1 3 388.475 3.623 20 0 GHADHM O=C(N[C@@H]1CCCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429512 607456437 /nfs/dbraw/zinc/45/64/37/607456437.db2.gz FTXNJGUDKNYJIO-LJQANCHMSA-N -1 3 388.475 3.623 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@@H](c2ccc(-c3nnn[n-]3)cc2F)N1CC1CC1 ZINC000823551600 607462627 /nfs/dbraw/zinc/46/26/27/607462627.db2.gz WWICAPKEEYRBEH-GOSISDBHSA-N -1 3 398.829 3.636 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@@H](c2ccc(-c3nn[n-]n3)cc2F)N1CC1CC1 ZINC000823551600 607462629 /nfs/dbraw/zinc/46/26/29/607462629.db2.gz WWICAPKEEYRBEH-GOSISDBHSA-N -1 3 398.829 3.636 20 0 GHADHM COc1cc(C)c(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000517036155 600815808 /nfs/dbraw/zinc/81/58/08/600815808.db2.gz WYRFTYNVIOXVRD-UHFFFAOYSA-N -1 3 393.867 3.875 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000647366395 600857589 /nfs/dbraw/zinc/85/75/89/600857589.db2.gz DISVJDWDAAABDV-UHFFFAOYSA-N -1 3 390.524 3.828 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000832311293 601004410 /nfs/dbraw/zinc/00/44/10/601004410.db2.gz ZNBZCMTYGCRBNE-UHFFFAOYSA-N -1 3 385.464 3.763 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832931461 601024480 /nfs/dbraw/zinc/02/44/80/601024480.db2.gz YEMZCXROCKWQRL-SFTDATJTSA-N -1 3 395.503 3.969 20 0 GHADHM Cc1ccc2cc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)ccc2n1 ZINC000822280486 607499471 /nfs/dbraw/zinc/49/94/71/607499471.db2.gz PKWGVNUEYAYRRW-UHFFFAOYSA-N -1 3 384.443 3.528 20 0 GHADHM Cc1ccc2cc(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)ccc2n1 ZINC000822280486 607499474 /nfs/dbraw/zinc/49/94/74/607499474.db2.gz PKWGVNUEYAYRRW-UHFFFAOYSA-N -1 3 384.443 3.528 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)CC1 ZINC000821686274 607500680 /nfs/dbraw/zinc/50/06/80/607500680.db2.gz HYSFGJHULJBSHT-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)CC1 ZINC000821686274 607500681 /nfs/dbraw/zinc/50/06/81/607500681.db2.gz HYSFGJHULJBSHT-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000820497052 607501665 /nfs/dbraw/zinc/50/16/65/607501665.db2.gz PDMFWFLHXGPRCZ-SECBINFHSA-N -1 3 394.378 3.681 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000820497052 607501666 /nfs/dbraw/zinc/50/16/66/607501666.db2.gz PDMFWFLHXGPRCZ-SECBINFHSA-N -1 3 394.378 3.681 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000826025817 601394863 /nfs/dbraw/zinc/39/48/63/601394863.db2.gz GEIQZFJGLIPJNJ-LDQXTDLNSA-N -1 3 398.478 3.616 20 0 GHADHM CC(C)CN(Cc1noc(C2CCCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824262103 607518987 /nfs/dbraw/zinc/51/89/87/607518987.db2.gz XKWVTKOIUCRUQC-UHFFFAOYSA-N -1 3 395.511 3.956 20 0 GHADHM CC(C)CN(Cc1noc(C2CCCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824262103 607518988 /nfs/dbraw/zinc/51/89/88/607518988.db2.gz XKWVTKOIUCRUQC-UHFFFAOYSA-N -1 3 395.511 3.956 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000826055404 601654391 /nfs/dbraw/zinc/65/43/91/601654391.db2.gz ZWLHPRZSOIKOEH-SJCJKPOMSA-N -1 3 394.443 3.991 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176760 601929948 /nfs/dbraw/zinc/92/99/48/601929948.db2.gz JXHBBQJWGQBNKY-CRAIPNDOSA-N -1 3 382.464 3.585 20 0 GHADHM COc1cc(C(C)=O)ccc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826177570 607539527 /nfs/dbraw/zinc/53/95/27/607539527.db2.gz NENDPCNOXCHWHP-UHFFFAOYSA-N -1 3 384.461 3.639 20 0 GHADHM COc1cc(C(C)=O)ccc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826177570 607539528 /nfs/dbraw/zinc/53/95/28/607539528.db2.gz NENDPCNOXCHWHP-UHFFFAOYSA-N -1 3 384.461 3.639 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cccc(COCC(F)(F)F)c1 ZINC000826372140 607543275 /nfs/dbraw/zinc/54/32/75/607543275.db2.gz JNYSMMVIOFDJSU-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM COc1cccc(-c2nc(CN[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)cs2)c1 ZINC000739942568 602097037 /nfs/dbraw/zinc/09/70/37/602097037.db2.gz KYMPOQCLQCTIJT-UKRRQHHQSA-N -1 3 375.494 3.687 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000826284138 607553898 /nfs/dbraw/zinc/55/38/98/607553898.db2.gz LIRIGBJPPLUHFQ-UHFFFAOYSA-N -1 3 388.435 3.622 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000826284138 607553900 /nfs/dbraw/zinc/55/39/00/607553900.db2.gz LIRIGBJPPLUHFQ-UHFFFAOYSA-N -1 3 388.435 3.622 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740169918 602321608 /nfs/dbraw/zinc/32/16/08/602321608.db2.gz IRPUJLPNOGRBRE-UHFFFAOYSA-N -1 3 396.491 3.631 20 0 GHADHM O=C([O-])Nc1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)ccc1F ZINC000740696385 602512690 /nfs/dbraw/zinc/51/26/90/602512690.db2.gz QQWDZPZMHDJFLC-LJQANCHMSA-N -1 3 385.439 3.873 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825830519 607578343 /nfs/dbraw/zinc/57/83/43/607578343.db2.gz UORGKOKNSNVWIN-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825830519 607578345 /nfs/dbraw/zinc/57/83/45/607578345.db2.gz UORGKOKNSNVWIN-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)N(C)C)cc1 ZINC000739544944 603035759 /nfs/dbraw/zinc/03/57/59/603035759.db2.gz YJBDHQDEECDFTM-GOSISDBHSA-N -1 3 388.443 3.902 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000825427550 603363993 /nfs/dbraw/zinc/36/39/93/603363993.db2.gz WUYGTEZTVBFYSG-INIZCTEOSA-N -1 3 388.512 3.745 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000825880720 603375187 /nfs/dbraw/zinc/37/51/87/603375187.db2.gz PNOSGQLZTQDUIN-WUJZJPHMSA-N -1 3 388.512 3.743 20 0 GHADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000825501716 603552169 /nfs/dbraw/zinc/55/21/69/603552169.db2.gz DSJFVJYHHDMCAA-CQSZACIVSA-N -1 3 391.431 3.670 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000827975448 603734172 /nfs/dbraw/zinc/73/41/72/603734172.db2.gz LJMOQDKYBOJCHU-SJLPKXTDSA-N -1 3 391.537 3.815 20 0 GHADHM O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826421563 607655932 /nfs/dbraw/zinc/65/59/32/607655932.db2.gz NOXKCEAMPKFTHI-UHFFFAOYSA-N -1 3 399.785 3.909 20 0 GHADHM O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826421563 607655933 /nfs/dbraw/zinc/65/59/33/607655933.db2.gz NOXKCEAMPKFTHI-UHFFFAOYSA-N -1 3 399.785 3.909 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000826916054 603907015 /nfs/dbraw/zinc/90/70/15/603907015.db2.gz DIHLWKJKZHXEOR-CQSZACIVSA-N -1 3 392.887 3.992 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367266 607669467 /nfs/dbraw/zinc/66/94/67/607669467.db2.gz MJLXARNQFPPJBD-RRQGHBQHSA-N -1 3 381.505 3.950 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367266 607669470 /nfs/dbraw/zinc/66/94/70/607669470.db2.gz MJLXARNQFPPJBD-RRQGHBQHSA-N -1 3 381.505 3.950 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000826245332 607670697 /nfs/dbraw/zinc/67/06/97/607670697.db2.gz UYNBUXQRIXAZFU-MRXNPFEDSA-N -1 3 381.867 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000826245332 607670698 /nfs/dbraw/zinc/67/06/98/607670698.db2.gz UYNBUXQRIXAZFU-MRXNPFEDSA-N -1 3 381.867 3.676 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000826250107 607675640 /nfs/dbraw/zinc/67/56/40/607675640.db2.gz LBDKKVHFKQGGSY-UHFFFAOYSA-N -1 3 376.445 3.915 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000826250107 607675641 /nfs/dbraw/zinc/67/56/41/607675641.db2.gz LBDKKVHFKQGGSY-UHFFFAOYSA-N -1 3 376.445 3.915 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000826250488 607681238 /nfs/dbraw/zinc/68/12/38/607681238.db2.gz CYELOWJCKAZNSC-LJQANCHMSA-N -1 3 399.458 3.550 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000826250488 607681239 /nfs/dbraw/zinc/68/12/39/607681239.db2.gz CYELOWJCKAZNSC-LJQANCHMSA-N -1 3 399.458 3.550 20 0 GHADHM O=C(C[C@H]1CSCCS1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826404443 607687999 /nfs/dbraw/zinc/68/79/99/607687999.db2.gz ATVOLVIDGWQVHZ-KRWDZBQOSA-N -1 3 398.513 3.678 20 0 GHADHM O=C(C[C@H]1CSCCS1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826404443 607688000 /nfs/dbraw/zinc/68/80/00/607688000.db2.gz ATVOLVIDGWQVHZ-KRWDZBQOSA-N -1 3 398.513 3.678 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824515942 607702410 /nfs/dbraw/zinc/70/24/10/607702410.db2.gz URTGKBPOQSCMIG-LBPRGKRZSA-N -1 3 392.394 3.617 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824515942 607702412 /nfs/dbraw/zinc/70/24/12/607702412.db2.gz URTGKBPOQSCMIG-LBPRGKRZSA-N -1 3 392.394 3.617 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826272413 607706004 /nfs/dbraw/zinc/70/60/04/607706004.db2.gz IBNPBLLKEPTNNK-UHFFFAOYSA-N -1 3 376.445 3.907 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826272413 607706005 /nfs/dbraw/zinc/70/60/05/607706005.db2.gz IBNPBLLKEPTNNK-UHFFFAOYSA-N -1 3 376.445 3.907 20 0 GHADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385620 607723282 /nfs/dbraw/zinc/72/32/82/607723282.db2.gz XUUIZTFUTBKMNV-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385620 607723283 /nfs/dbraw/zinc/72/32/83/607723283.db2.gz XUUIZTFUTBKMNV-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM Cc1nc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)s1 ZINC000826323940 607725941 /nfs/dbraw/zinc/72/59/41/607725941.db2.gz YNNCVHILFRZFSW-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000825502866 605118777 /nfs/dbraw/zinc/11/87/77/605118777.db2.gz LWTXMSGLZDJMIH-JKSUJKDBSA-N -1 3 381.476 3.993 20 0 GHADHM Cc1nc(C)n(C[C@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)n1 ZINC000833755502 605128859 /nfs/dbraw/zinc/12/88/59/605128859.db2.gz PGLRFMATWPQADB-SUMWQHHRSA-N -1 3 397.306 3.740 20 0 GHADHM Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)n1 ZINC000833755499 605128868 /nfs/dbraw/zinc/12/88/68/605128868.db2.gz PGLRFMATWPQADB-CXAGYDPISA-N -1 3 397.306 3.740 20 0 GHADHM O=C([O-])N1CCC(CCN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000834078855 605542000 /nfs/dbraw/zinc/54/20/00/605542000.db2.gz PQONLDILDNEDOY-TXEJJXNPSA-N -1 3 376.341 3.829 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000824319414 607761624 /nfs/dbraw/zinc/76/16/24/607761624.db2.gz PCSNTGUQMYZGQZ-KRWDZBQOSA-N -1 3 396.426 3.772 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000824319414 607761625 /nfs/dbraw/zinc/76/16/25/607761625.db2.gz PCSNTGUQMYZGQZ-KRWDZBQOSA-N -1 3 396.426 3.772 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1c(F)cccc1F ZINC000826459800 607769017 /nfs/dbraw/zinc/76/90/17/607769017.db2.gz ZUIJMUDYLGERKL-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1c(F)cccc1F ZINC000826459800 607769018 /nfs/dbraw/zinc/76/90/18/607769018.db2.gz ZUIJMUDYLGERKL-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cncc2ccccc21 ZINC000826459890 607769962 /nfs/dbraw/zinc/76/99/62/607769962.db2.gz DMJVBAMMXLMPOV-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cncc2ccccc21 ZINC000826459890 607769963 /nfs/dbraw/zinc/76/99/63/607769963.db2.gz DMJVBAMMXLMPOV-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(CCc1ccc(F)cc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826408600 607770709 /nfs/dbraw/zinc/77/07/09/607770709.db2.gz NPGHZDMGGYMLKC-UHFFFAOYSA-N -1 3 394.435 3.701 20 0 GHADHM O=C(CCc1ccc(F)cc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826408600 607770710 /nfs/dbraw/zinc/77/07/10/607770710.db2.gz NPGHZDMGGYMLKC-UHFFFAOYSA-N -1 3 394.435 3.701 20 0 GHADHM CC(C)(C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000824064509 607770367 /nfs/dbraw/zinc/77/03/67/607770367.db2.gz JVCOMGUZXGCJFP-UHFFFAOYSA-N -1 3 390.472 3.907 20 0 GHADHM CC(C)(C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1 ZINC000824064509 607770368 /nfs/dbraw/zinc/77/03/68/607770368.db2.gz JVCOMGUZXGCJFP-UHFFFAOYSA-N -1 3 390.472 3.907 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(F)c(F)c1 ZINC000826459762 607770889 /nfs/dbraw/zinc/77/08/89/607770889.db2.gz YLZVVUGEZJKOED-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(F)c(F)c1 ZINC000826459762 607770890 /nfs/dbraw/zinc/77/08/90/607770890.db2.gz YLZVVUGEZJKOED-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822230331 606032684 /nfs/dbraw/zinc/03/26/84/606032684.db2.gz CUSHFRAGYJBDEN-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)cc1OC ZINC000821708748 606042444 /nfs/dbraw/zinc/04/24/44/606042444.db2.gz YNCUEYSQCWLBFF-CYBMUJFWSA-N -1 3 390.447 3.914 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)cc1OC ZINC000821708748 606042449 /nfs/dbraw/zinc/04/24/49/606042449.db2.gz YNCUEYSQCWLBFF-CYBMUJFWSA-N -1 3 390.447 3.914 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823779559 606061063 /nfs/dbraw/zinc/06/10/63/606061063.db2.gz GHAIWXCTKJPFLR-XLIONFOSSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823779559 606061067 /nfs/dbraw/zinc/06/10/67/606061067.db2.gz GHAIWXCTKJPFLR-XLIONFOSSA-N -1 3 386.459 3.995 20 0 GHADHM O=C(Nc1cccc(Cl)n1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823363397 606068804 /nfs/dbraw/zinc/06/88/04/606068804.db2.gz BGSAKSAJIGEOKC-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1cccc(Cl)n1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823363397 606068808 /nfs/dbraw/zinc/06/88/08/606068808.db2.gz BGSAKSAJIGEOKC-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000823689671 606085953 /nfs/dbraw/zinc/08/59/53/606085953.db2.gz IKLXEYZQUMRHLF-HXUWFJFHSA-N -1 3 382.427 3.714 20 0 GHADHM O[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000823689671 606085957 /nfs/dbraw/zinc/08/59/57/606085957.db2.gz IKLXEYZQUMRHLF-HXUWFJFHSA-N -1 3 382.427 3.714 20 0 GHADHM Clc1ccc([C@@H]2CCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822574754 606098728 /nfs/dbraw/zinc/09/87/28/606098728.db2.gz YOFZSIMXKIAGRT-INIZCTEOSA-N -1 3 393.838 3.517 20 0 GHADHM Clc1ccc([C@@H]2CCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822574754 606098731 /nfs/dbraw/zinc/09/87/31/606098731.db2.gz YOFZSIMXKIAGRT-INIZCTEOSA-N -1 3 393.838 3.517 20 0 GHADHM Cc1csc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)n1 ZINC000822409148 606101350 /nfs/dbraw/zinc/10/13/50/606101350.db2.gz NBTLDAWXOOIVJA-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM Cc1csc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n1 ZINC000822409148 606101352 /nfs/dbraw/zinc/10/13/52/606101352.db2.gz NBTLDAWXOOIVJA-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)ns1 ZINC000823333177 606108869 /nfs/dbraw/zinc/10/88/69/606108869.db2.gz ZNUQWRDAKCXXFY-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)ns1 ZINC000823333177 606108872 /nfs/dbraw/zinc/10/88/72/606108872.db2.gz ZNUQWRDAKCXXFY-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717286 606109554 /nfs/dbraw/zinc/10/95/54/606109554.db2.gz OXRONMYWFVNSRY-YJYMSZOUSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717286 606109555 /nfs/dbraw/zinc/10/95/55/606109555.db2.gz OXRONMYWFVNSRY-YJYMSZOUSA-N -1 3 397.479 3.708 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)s2)cc1 ZINC000821727183 606125720 /nfs/dbraw/zinc/12/57/20/606125720.db2.gz DUXZULJWYDCBSO-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3sccc3-c3nn[n-]n3)s2)cc1 ZINC000821727183 606125721 /nfs/dbraw/zinc/12/57/21/606125721.db2.gz DUXZULJWYDCBSO-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000822369210 606126477 /nfs/dbraw/zinc/12/64/77/606126477.db2.gz DFZJUOWTXSTBSB-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM Cc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000822369210 606126478 /nfs/dbraw/zinc/12/64/78/606126478.db2.gz DFZJUOWTXSTBSB-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000821100122 606136495 /nfs/dbraw/zinc/13/64/95/606136495.db2.gz UJJXZZRILNLWNK-ARJAWSKDSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000821100122 606136498 /nfs/dbraw/zinc/13/64/98/606136498.db2.gz UJJXZZRILNLWNK-ARJAWSKDSA-N -1 3 379.439 3.848 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000823107694 606145211 /nfs/dbraw/zinc/14/52/11/606145211.db2.gz FKIGJDHSDMVAGO-QFIPXVFZSA-N -1 3 398.422 3.577 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000823107694 606145214 /nfs/dbraw/zinc/14/52/14/606145214.db2.gz FKIGJDHSDMVAGO-QFIPXVFZSA-N -1 3 398.422 3.577 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CC12CCCC2 ZINC000823350360 606148624 /nfs/dbraw/zinc/14/86/24/606148624.db2.gz KKARCEKYRBWZQE-IBGZPJMESA-N -1 3 389.459 3.965 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CC12CCCC2 ZINC000823350360 606148625 /nfs/dbraw/zinc/14/86/25/606148625.db2.gz KKARCEKYRBWZQE-IBGZPJMESA-N -1 3 389.459 3.965 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820328692 606149265 /nfs/dbraw/zinc/14/92/65/606149265.db2.gz QWXFWXYBLHYYSL-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820328692 606149266 /nfs/dbraw/zinc/14/92/66/606149266.db2.gz QWXFWXYBLHYYSL-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000820380654 606161390 /nfs/dbraw/zinc/16/13/90/606161390.db2.gz XXWQILBHOIOAQS-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000820380654 606161392 /nfs/dbraw/zinc/16/13/92/606161392.db2.gz XXWQILBHOIOAQS-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM O=[S@@](Cc1csc(C2CCCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823613876 606180349 /nfs/dbraw/zinc/18/03/49/606180349.db2.gz KXFVFTBPWNGLQP-AREMUKBSSA-N -1 3 387.534 3.820 20 0 GHADHM O=[S@@](Cc1csc(C2CCCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823613876 606180350 /nfs/dbraw/zinc/18/03/50/606180350.db2.gz KXFVFTBPWNGLQP-AREMUKBSSA-N -1 3 387.534 3.820 20 0 GHADHM C[C@H](OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC000820512264 606181769 /nfs/dbraw/zinc/18/17/69/606181769.db2.gz INWKKEZBQKCLKE-DZGCQCFKSA-N -1 3 396.472 3.600 20 0 GHADHM C[C@H](OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000820512264 606181772 /nfs/dbraw/zinc/18/17/72/606181772.db2.gz INWKKEZBQKCLKE-DZGCQCFKSA-N -1 3 396.472 3.600 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820356957 606197728 /nfs/dbraw/zinc/19/77/28/606197728.db2.gz DGNRUUZHXWJVRO-QHRIQVFBSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820356957 606197730 /nfs/dbraw/zinc/19/77/30/606197730.db2.gz DGNRUUZHXWJVRO-QHRIQVFBSA-N -1 3 394.454 3.690 20 0 GHADHM CCN(C(=O)c1sc(Cl)nc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159900 606207291 /nfs/dbraw/zinc/20/72/91/606207291.db2.gz CXTNCQNSDIFISX-SNVBAGLBSA-N -1 3 376.873 3.508 20 0 GHADHM CCN(C(=O)c1sc(Cl)nc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159900 606207293 /nfs/dbraw/zinc/20/72/93/606207293.db2.gz CXTNCQNSDIFISX-SNVBAGLBSA-N -1 3 376.873 3.508 20 0 GHADHM COc1cccc(C(C)=CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821859755 606235596 /nfs/dbraw/zinc/23/55/96/606235596.db2.gz SBXKBIZDVFKNMS-UVTDQMKNSA-N -1 3 393.447 3.705 20 0 GHADHM COc1cccc(C(C)=CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821859755 606235598 /nfs/dbraw/zinc/23/55/98/606235598.db2.gz SBXKBIZDVFKNMS-UVTDQMKNSA-N -1 3 393.447 3.705 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820293768 606273433 /nfs/dbraw/zinc/27/34/33/606273433.db2.gz NFIIKSQNGOYSEL-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820293768 606273435 /nfs/dbraw/zinc/27/34/35/606273435.db2.gz NFIIKSQNGOYSEL-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM Cc1nc(C)c(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000822431570 606273927 /nfs/dbraw/zinc/27/39/27/606273927.db2.gz ALTPPCOLSGPTAX-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(C)c(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000822431570 606273929 /nfs/dbraw/zinc/27/39/29/606273929.db2.gz ALTPPCOLSGPTAX-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823145139 606277590 /nfs/dbraw/zinc/27/75/90/606277590.db2.gz OPHKGPFUZGUHAO-OAHLLOKOSA-N -1 3 377.473 3.856 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823145139 606277592 /nfs/dbraw/zinc/27/75/92/606277592.db2.gz OPHKGPFUZGUHAO-OAHLLOKOSA-N -1 3 377.473 3.856 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612493 606281361 /nfs/dbraw/zinc/28/13/61/606281361.db2.gz FXNADSSEEOABKC-QHCPKHFHSA-N -1 3 389.503 3.671 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612493 606281363 /nfs/dbraw/zinc/28/13/63/606281363.db2.gz FXNADSSEEOABKC-QHCPKHFHSA-N -1 3 389.503 3.671 20 0 GHADHM C[C@H](Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1)c1ccccc1 ZINC000820455229 606283976 /nfs/dbraw/zinc/28/39/76/606283976.db2.gz FSDCURUXFGCNAN-AWEZNQCLSA-N -1 3 387.447 3.631 20 0 GHADHM C[C@H](Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1)c1ccccc1 ZINC000820455229 606283978 /nfs/dbraw/zinc/28/39/78/606283978.db2.gz FSDCURUXFGCNAN-AWEZNQCLSA-N -1 3 387.447 3.631 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644476 606297019 /nfs/dbraw/zinc/29/70/19/606297019.db2.gz AMNNXYLHMRLARV-FQEVSTJZSA-N -1 3 385.427 3.860 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644476 606297021 /nfs/dbraw/zinc/29/70/21/606297021.db2.gz AMNNXYLHMRLARV-FQEVSTJZSA-N -1 3 385.427 3.860 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640232 606301151 /nfs/dbraw/zinc/30/11/51/606301151.db2.gz DGEWINZITPUVFP-AUUYWEPGSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640232 606301153 /nfs/dbraw/zinc/30/11/53/606301153.db2.gz DGEWINZITPUVFP-AUUYWEPGSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@@H](N[C@H](CC(C)C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642832 606306731 /nfs/dbraw/zinc/30/67/31/606306731.db2.gz QEVPQFWWMLJAOE-UXHICEINSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@@H](N[C@H](CC(C)C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642832 606306733 /nfs/dbraw/zinc/30/67/33/606306733.db2.gz QEVPQFWWMLJAOE-UXHICEINSA-N -1 3 393.491 3.766 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233474 606343477 /nfs/dbraw/zinc/34/34/77/606343477.db2.gz PSTQINFAEDLIEW-YSSFQJQWSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233474 606343479 /nfs/dbraw/zinc/34/34/79/606343479.db2.gz PSTQINFAEDLIEW-YSSFQJQWSA-N -1 3 392.459 3.947 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000821854596 606345408 /nfs/dbraw/zinc/34/54/08/606345408.db2.gz OTDDHUYXCACKJY-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000821854596 606345410 /nfs/dbraw/zinc/34/54/10/606345410.db2.gz OTDDHUYXCACKJY-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823219746 606348198 /nfs/dbraw/zinc/34/81/98/606348198.db2.gz OVYWYZLWISFGIF-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823219746 606348200 /nfs/dbraw/zinc/34/82/00/606348200.db2.gz OVYWYZLWISFGIF-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891226 606351692 /nfs/dbraw/zinc/35/16/92/606351692.db2.gz XPQLTBCFBKLQLN-CABCVRRESA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821891226 606351693 /nfs/dbraw/zinc/35/16/93/606351693.db2.gz XPQLTBCFBKLQLN-CABCVRRESA-N -1 3 380.448 3.748 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512295 606352918 /nfs/dbraw/zinc/35/29/18/606352918.db2.gz JCOKLJMITWWJLM-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512295 606352919 /nfs/dbraw/zinc/35/29/19/606352919.db2.gz JCOKLJMITWWJLM-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820920877 606358819 /nfs/dbraw/zinc/35/88/19/606358819.db2.gz UFGQDEDMEQXTJX-AWEZNQCLSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820920877 606358821 /nfs/dbraw/zinc/35/88/21/606358821.db2.gz UFGQDEDMEQXTJX-AWEZNQCLSA-N -1 3 376.342 3.557 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(F)cc1F ZINC000822183600 606372503 /nfs/dbraw/zinc/37/25/03/606372503.db2.gz INZDXZOWASYWFY-UHFFFAOYSA-N -1 3 375.404 3.646 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(F)cc1F ZINC000822183600 606372504 /nfs/dbraw/zinc/37/25/04/606372504.db2.gz INZDXZOWASYWFY-UHFFFAOYSA-N -1 3 375.404 3.646 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454021 606392070 /nfs/dbraw/zinc/39/20/70/606392070.db2.gz CMRJCPYUPGKCIH-ZYHUDNBSSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454021 606392071 /nfs/dbraw/zinc/39/20/71/606392071.db2.gz CMRJCPYUPGKCIH-ZYHUDNBSSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821456598 606395559 /nfs/dbraw/zinc/39/55/59/606395559.db2.gz QRUAQAVEXJNKSY-KBPBESRZSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821456598 606395560 /nfs/dbraw/zinc/39/55/60/606395560.db2.gz QRUAQAVEXJNKSY-KBPBESRZSA-N -1 3 391.545 3.609 20 0 GHADHM C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1 ZINC000820226447 606397662 /nfs/dbraw/zinc/39/76/62/606397662.db2.gz VMHOLZXNNXWFHG-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1 ZINC000820226447 606397664 /nfs/dbraw/zinc/39/76/64/606397664.db2.gz VMHOLZXNNXWFHG-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM c1c2ccccc2oc1-c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823801986 606400396 /nfs/dbraw/zinc/40/03/96/606400396.db2.gz DWWVEAXVGIDPFD-UHFFFAOYSA-N -1 3 376.401 3.955 20 0 GHADHM c1c2ccccc2oc1-c1nnc(SCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823801986 606400397 /nfs/dbraw/zinc/40/03/97/606400397.db2.gz DWWVEAXVGIDPFD-UHFFFAOYSA-N -1 3 376.401 3.955 20 0 GHADHM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571992 606412708 /nfs/dbraw/zinc/41/27/08/606412708.db2.gz NOVGIASYLIRYJB-UHFFFAOYSA-N -1 3 395.772 3.744 20 0 GHADHM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571992 606412711 /nfs/dbraw/zinc/41/27/11/606412711.db2.gz NOVGIASYLIRYJB-UHFFFAOYSA-N -1 3 395.772 3.744 20 0 GHADHM CN(C(=O)CSc1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570957 606412741 /nfs/dbraw/zinc/41/27/41/606412741.db2.gz SOUUOYMLUGVOMF-UHFFFAOYSA-N -1 3 395.822 3.553 20 0 GHADHM CN(C(=O)CSc1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570957 606412743 /nfs/dbraw/zinc/41/27/43/606412743.db2.gz SOUUOYMLUGVOMF-UHFFFAOYSA-N -1 3 395.822 3.553 20 0 GHADHM Clc1cc(Br)ccc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000822567652 606413106 /nfs/dbraw/zinc/41/31/06/606413106.db2.gz DKZDBWGZQXXSMY-UHFFFAOYSA-N -1 3 384.690 3.634 20 0 GHADHM Fc1cccc(C2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822787001 606417237 /nfs/dbraw/zinc/41/72/37/606417237.db2.gz RTFPOIGWZQTWHT-UHFFFAOYSA-N -1 3 382.468 3.582 20 0 GHADHM Fc1cccc(C2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822787001 606417239 /nfs/dbraw/zinc/41/72/39/606417239.db2.gz RTFPOIGWZQTWHT-UHFFFAOYSA-N -1 3 382.468 3.582 20 0 GHADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820460840 606430085 /nfs/dbraw/zinc/43/00/85/606430085.db2.gz CHNOZRPCWOQIJX-SECBINFHSA-N -1 3 385.790 3.882 20 0 GHADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820460840 606430087 /nfs/dbraw/zinc/43/00/87/606430087.db2.gz CHNOZRPCWOQIJX-SECBINFHSA-N -1 3 385.790 3.882 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000820384985 606431535 /nfs/dbraw/zinc/43/15/35/606431535.db2.gz OBCUQESWNSKJQK-GFCCVEGCSA-N -1 3 381.440 3.591 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000820384985 606431537 /nfs/dbraw/zinc/43/15/37/606431537.db2.gz OBCUQESWNSKJQK-GFCCVEGCSA-N -1 3 381.440 3.591 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820508794 606436674 /nfs/dbraw/zinc/43/66/74/606436674.db2.gz XTIGPGDXCXBOFZ-RYUDHWBXSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820508794 606436676 /nfs/dbraw/zinc/43/66/76/606436676.db2.gz XTIGPGDXCXBOFZ-RYUDHWBXSA-N -1 3 379.445 3.825 20 0 GHADHM Fc1ccc(OCC(F)(F)F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822783173 606443968 /nfs/dbraw/zinc/44/39/68/606443968.db2.gz YHLRXEYCAQUNTM-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(OCC(F)(F)F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822783173 606443969 /nfs/dbraw/zinc/44/39/69/606443969.db2.gz YHLRXEYCAQUNTM-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM O=C(c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl)N1CCCCC1 ZINC000823487555 606460006 /nfs/dbraw/zinc/46/00/06/606460006.db2.gz FALFQMYDDWPVMI-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl)N1CCCCC1 ZINC000823487555 606460007 /nfs/dbraw/zinc/46/00/07/606460007.db2.gz FALFQMYDDWPVMI-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1)Cc1ccccc1 ZINC000823467592 606476317 /nfs/dbraw/zinc/47/63/17/606476317.db2.gz YDIBQOZOPFUTSG-UHFFFAOYSA-N -1 3 375.457 3.771 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1)Cc1ccccc1 ZINC000823467592 606476319 /nfs/dbraw/zinc/47/63/19/606476319.db2.gz YDIBQOZOPFUTSG-UHFFFAOYSA-N -1 3 375.457 3.771 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821222118 606495490 /nfs/dbraw/zinc/49/54/90/606495490.db2.gz OZTUXYHQELBFJH-UHFFFAOYSA-N -1 3 382.276 3.897 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821222118 606495491 /nfs/dbraw/zinc/49/54/91/606495491.db2.gz OZTUXYHQELBFJH-UHFFFAOYSA-N -1 3 382.276 3.897 20 0 GHADHM CC(C)COc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000820102963 606506476 /nfs/dbraw/zinc/50/64/76/606506476.db2.gz NAARFYLQIHVDAE-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)COc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000820102963 606506478 /nfs/dbraw/zinc/50/64/78/606506478.db2.gz NAARFYLQIHVDAE-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000823087060 606517139 /nfs/dbraw/zinc/51/71/39/606517139.db2.gz DYSYUHSGNDARJS-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000823087060 606517140 /nfs/dbraw/zinc/51/71/40/606517140.db2.gz DYSYUHSGNDARJS-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)c2)cc1 ZINC000821733065 606527801 /nfs/dbraw/zinc/52/78/01/606527801.db2.gz ZHNGIWGAAUTCBY-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)c2)cc1 ZINC000821733065 606527804 /nfs/dbraw/zinc/52/78/04/606527804.db2.gz ZHNGIWGAAUTCBY-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000823092780 606538097 /nfs/dbraw/zinc/53/80/97/606538097.db2.gz KSYLZJIRAFFJIJ-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000823092780 606538099 /nfs/dbraw/zinc/53/80/99/606538099.db2.gz KSYLZJIRAFFJIJ-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233363 606576367 /nfs/dbraw/zinc/57/63/67/606576367.db2.gz NDXFUHGZAQUBHG-VQTJNVASSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233363 606576369 /nfs/dbraw/zinc/57/63/69/606576369.db2.gz NDXFUHGZAQUBHG-VQTJNVASSA-N -1 3 375.476 3.512 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)[C@H]1C ZINC000820717366 606577489 /nfs/dbraw/zinc/57/74/89/606577489.db2.gz QEIOYARJAYOCJF-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)[C@H]1C ZINC000820717366 606577490 /nfs/dbraw/zinc/57/74/90/606577490.db2.gz QEIOYARJAYOCJF-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820710605 606577912 /nfs/dbraw/zinc/57/79/12/606577912.db2.gz QTAIEMGTLDJKAC-GFCCVEGCSA-N -1 3 382.399 3.814 20 0 GHADHM C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820710605 606577914 /nfs/dbraw/zinc/57/79/14/606577914.db2.gz QTAIEMGTLDJKAC-GFCCVEGCSA-N -1 3 382.399 3.814 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@@H]1C ZINC000820741399 606577936 /nfs/dbraw/zinc/57/79/36/606577936.db2.gz CMRAAYIRCWYYDV-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@@H]1C ZINC000820741399 606577939 /nfs/dbraw/zinc/57/79/39/606577939.db2.gz CMRAAYIRCWYYDV-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819950752 606578851 /nfs/dbraw/zinc/57/88/51/606578851.db2.gz MMFUMIJRXDFRCS-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819950752 606578853 /nfs/dbraw/zinc/57/88/53/606578853.db2.gz MMFUMIJRXDFRCS-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(=O)c1cc(F)cc(F)c1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819834124 606590325 /nfs/dbraw/zinc/59/03/25/606590325.db2.gz MEFDPGSALKSYQR-UHFFFAOYSA-N -1 3 396.300 3.528 20 0 GHADHM CC(=O)c1cc(F)cc(F)c1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819834124 606590327 /nfs/dbraw/zinc/59/03/27/606590327.db2.gz MEFDPGSALKSYQR-UHFFFAOYSA-N -1 3 396.300 3.528 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821049878 606592755 /nfs/dbraw/zinc/59/27/55/606592755.db2.gz NOUFAZFWEHLITP-QGZVFWFLSA-N -1 3 398.555 3.948 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821049878 606592757 /nfs/dbraw/zinc/59/27/57/606592757.db2.gz NOUFAZFWEHLITP-QGZVFWFLSA-N -1 3 398.555 3.948 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000820530241 606602056 /nfs/dbraw/zinc/60/20/56/606602056.db2.gz YPAHKKYGGMSUBR-KUHUBIRLSA-N -1 3 395.438 3.527 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148873 606602217 /nfs/dbraw/zinc/60/22/17/606602217.db2.gz PPVRBAGRZLNCFH-CVEARBPZSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148873 606602218 /nfs/dbraw/zinc/60/22/18/606602218.db2.gz PPVRBAGRZLNCFH-CVEARBPZSA-N -1 3 393.491 3.979 20 0 GHADHM CCCCCC(C)(C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821042439 606606335 /nfs/dbraw/zinc/60/63/35/606606335.db2.gz ATUSQNSVULXNES-UHFFFAOYSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCCC(C)(C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821042439 606606337 /nfs/dbraw/zinc/60/63/37/606606337.db2.gz ATUSQNSVULXNES-UHFFFAOYSA-N -1 3 384.528 3.558 20 0 GHADHM CN(Cc1csc(CCc2ccccc2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821609645 606612688 /nfs/dbraw/zinc/61/26/88/606612688.db2.gz GBGPOEWEIAXCTQ-UHFFFAOYSA-N -1 3 390.516 3.740 20 0 GHADHM CN(Cc1csc(CCc2ccccc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821609645 606612690 /nfs/dbraw/zinc/61/26/90/606612690.db2.gz GBGPOEWEIAXCTQ-UHFFFAOYSA-N -1 3 390.516 3.740 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2CC(C)C2)cc1 ZINC000821702090 606620989 /nfs/dbraw/zinc/62/09/89/606620989.db2.gz HGEAHNZIASCQTN-UHFFFAOYSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2CC(C)C2)cc1 ZINC000821702090 606620991 /nfs/dbraw/zinc/62/09/91/606620991.db2.gz HGEAHNZIASCQTN-UHFFFAOYSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C/C=C\c1ccc(C)cc1 ZINC000821699387 606622631 /nfs/dbraw/zinc/62/26/31/606622631.db2.gz OKRMZFKMOXXLDA-ARJAWSKDSA-N -1 3 384.823 3.846 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C/C=C\c1ccc(C)cc1 ZINC000821699387 606622632 /nfs/dbraw/zinc/62/26/32/606622632.db2.gz OKRMZFKMOXXLDA-ARJAWSKDSA-N -1 3 384.823 3.846 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823066005 606630846 /nfs/dbraw/zinc/63/08/46/606630846.db2.gz IEQQSXWYTFAVCK-WFASDCNBSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823066005 606630848 /nfs/dbraw/zinc/63/08/48/606630848.db2.gz IEQQSXWYTFAVCK-WFASDCNBSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823066002 606631009 /nfs/dbraw/zinc/63/10/09/606631009.db2.gz IEQQSXWYTFAVCK-DOMZBBRYSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000823066002 606631012 /nfs/dbraw/zinc/63/10/12/606631012.db2.gz IEQQSXWYTFAVCK-DOMZBBRYSA-N -1 3 391.928 3.793 20 0 GHADHM CN(C)c1ccccc1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821590970 606645593 /nfs/dbraw/zinc/64/55/93/606645593.db2.gz OBADHSZLSFJKKM-UHFFFAOYSA-N -1 3 398.470 3.530 20 0 GHADHM CN(C)c1ccccc1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821590970 606645594 /nfs/dbraw/zinc/64/55/94/606645594.db2.gz OBADHSZLSFJKKM-UHFFFAOYSA-N -1 3 398.470 3.530 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821609750 606662155 /nfs/dbraw/zinc/66/21/55/606662155.db2.gz KHMDUSPVEGSDBE-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821609750 606662156 /nfs/dbraw/zinc/66/21/56/606662156.db2.gz KHMDUSPVEGSDBE-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@]3(C)CCCO3)c2-c2nnn[n-]2)C1 ZINC000820578256 606665992 /nfs/dbraw/zinc/66/59/92/606665992.db2.gz ZOSXEFOWSOWHRU-WLRWDXFRSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@]3(C)CCCO3)c2-c2nn[n-]n2)C1 ZINC000820578256 606665993 /nfs/dbraw/zinc/66/59/93/606665993.db2.gz ZOSXEFOWSOWHRU-WLRWDXFRSA-N -1 3 389.525 3.587 20 0 GHADHM O=C(Nc1cc(Cl)cc2cccnc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299122 606669945 /nfs/dbraw/zinc/66/99/45/606669945.db2.gz ITDIDMVWYDOBMM-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM O=C(Nc1cc(Cl)cc2cccnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299122 606669946 /nfs/dbraw/zinc/66/99/46/606669946.db2.gz ITDIDMVWYDOBMM-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822941498 606673171 /nfs/dbraw/zinc/67/31/71/606673171.db2.gz XQFJLRRYCYUJKM-MRXNPFEDSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822941498 606673172 /nfs/dbraw/zinc/67/31/72/606673172.db2.gz XQFJLRRYCYUJKM-MRXNPFEDSA-N -1 3 379.420 3.557 20 0 GHADHM CC(C)[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000820027407 606679542 /nfs/dbraw/zinc/67/95/42/606679542.db2.gz ROIRVJOBWPHCBG-INIZCTEOSA-N -1 3 391.809 3.925 20 0 GHADHM CC(C)[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000820027407 606679543 /nfs/dbraw/zinc/67/95/43/606679543.db2.gz ROIRVJOBWPHCBG-INIZCTEOSA-N -1 3 391.809 3.925 20 0 GHADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820819298 606685708 /nfs/dbraw/zinc/68/57/08/606685708.db2.gz HAUWSWMBHXUTPH-ZJUUUORDSA-N -1 3 387.415 3.674 20 0 GHADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820819298 606685709 /nfs/dbraw/zinc/68/57/09/606685709.db2.gz HAUWSWMBHXUTPH-ZJUUUORDSA-N -1 3 387.415 3.674 20 0 GHADHM Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)s1 ZINC000822238848 606686970 /nfs/dbraw/zinc/68/69/70/606686970.db2.gz XMESZUWDZSEDRK-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)s1 ZINC000822238848 606686971 /nfs/dbraw/zinc/68/69/71/606686971.db2.gz XMESZUWDZSEDRK-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM CC[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000820989324 606689709 /nfs/dbraw/zinc/68/97/09/606689709.db2.gz QLZYAUUZFJJBLL-AWEZNQCLSA-N -1 3 379.489 3.890 20 0 GHADHM CC[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000820989324 606689710 /nfs/dbraw/zinc/68/97/10/606689710.db2.gz QLZYAUUZFJJBLL-AWEZNQCLSA-N -1 3 379.489 3.890 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccccc1Br ZINC000823477817 606690852 /nfs/dbraw/zinc/69/08/52/606690852.db2.gz CJKOVQULIJFCEP-INIZCTEOSA-N -1 3 398.264 3.607 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccccc1Br ZINC000823477817 606690853 /nfs/dbraw/zinc/69/08/53/606690853.db2.gz CJKOVQULIJFCEP-INIZCTEOSA-N -1 3 398.264 3.607 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820404359 606694583 /nfs/dbraw/zinc/69/45/83/606694583.db2.gz TXWNQVJKUMZLNB-AWEZNQCLSA-N -1 3 393.520 3.515 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820404359 606694584 /nfs/dbraw/zinc/69/45/84/606694584.db2.gz TXWNQVJKUMZLNB-AWEZNQCLSA-N -1 3 393.520 3.515 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc2sccc2c1 ZINC000823298968 606727836 /nfs/dbraw/zinc/72/78/36/606727836.db2.gz AUFZHCMCBUFMSM-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc2sccc2c1 ZINC000823298968 606727837 /nfs/dbraw/zinc/72/78/37/606727837.db2.gz AUFZHCMCBUFMSM-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM C[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507239 606735594 /nfs/dbraw/zinc/73/55/94/606735594.db2.gz FYWLNUOUZZXOQD-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM C[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507239 606735595 /nfs/dbraw/zinc/73/55/95/606735595.db2.gz FYWLNUOUZZXOQD-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(C(F)(F)F)ccc1F ZINC000823413150 606737159 /nfs/dbraw/zinc/73/71/59/606737159.db2.gz BHCXPUZSASFNIR-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(C(F)(F)F)ccc1F ZINC000823413150 606737160 /nfs/dbraw/zinc/73/71/60/606737160.db2.gz BHCXPUZSASFNIR-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820397831 606745657 /nfs/dbraw/zinc/74/56/57/606745657.db2.gz VAGCAYNFKSKALM-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820397831 606745658 /nfs/dbraw/zinc/74/56/58/606745658.db2.gz VAGCAYNFKSKALM-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823356354 606771614 /nfs/dbraw/zinc/77/16/14/606771614.db2.gz KYNVBJUJQHUYGQ-GUYCJALGSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823356354 606771616 /nfs/dbraw/zinc/77/16/16/606771616.db2.gz KYNVBJUJQHUYGQ-GUYCJALGSA-N -1 3 376.420 3.675 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822436277 606772135 /nfs/dbraw/zinc/77/21/35/606772135.db2.gz KPWPVJFMTUKZLQ-NSHDSACASA-N -1 3 385.497 3.713 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822436277 606772136 /nfs/dbraw/zinc/77/21/36/606772136.db2.gz KPWPVJFMTUKZLQ-NSHDSACASA-N -1 3 385.497 3.713 20 0 GHADHM FC(F)COc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822733349 606778138 /nfs/dbraw/zinc/77/81/38/606778138.db2.gz YWAHDXWDFVVDHE-UHFFFAOYSA-N -1 3 397.332 3.724 20 0 GHADHM FC(F)COc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822733349 606778139 /nfs/dbraw/zinc/77/81/39/606778139.db2.gz YWAHDXWDFVVDHE-UHFFFAOYSA-N -1 3 397.332 3.724 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822230336 606806499 /nfs/dbraw/zinc/80/64/99/606806499.db2.gz CXJOYBIMHGAZIS-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822230336 606806500 /nfs/dbraw/zinc/80/65/00/606806500.db2.gz CXJOYBIMHGAZIS-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@H]2CCCS2)cc1 ZINC000822145264 606809322 /nfs/dbraw/zinc/80/93/22/606809322.db2.gz PXKGCKMNOHBPET-QGZVFWFLSA-N -1 3 395.488 3.593 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@H]2CCCS2)cc1 ZINC000822145264 606809323 /nfs/dbraw/zinc/80/93/23/606809323.db2.gz PXKGCKMNOHBPET-QGZVFWFLSA-N -1 3 395.488 3.593 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822230566 606811346 /nfs/dbraw/zinc/81/13/46/606811346.db2.gz KCAQQBIGFHXPHH-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822230566 606811348 /nfs/dbraw/zinc/81/13/48/606811348.db2.gz KCAQQBIGFHXPHH-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820428336 606821650 /nfs/dbraw/zinc/82/16/50/606821650.db2.gz WQTOWOCSZMMNBE-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820428336 606821651 /nfs/dbraw/zinc/82/16/51/606821651.db2.gz WQTOWOCSZMMNBE-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820972071 606828194 /nfs/dbraw/zinc/82/81/94/606828194.db2.gz KHKHLHYTQVMOAN-LPHOPBHVSA-N -1 3 378.432 3.535 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820972071 606828195 /nfs/dbraw/zinc/82/81/95/606828195.db2.gz KHKHLHYTQVMOAN-LPHOPBHVSA-N -1 3 378.432 3.535 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCC(F)(F)F)cc1 ZINC000822143214 606830302 /nfs/dbraw/zinc/83/03/02/606830302.db2.gz ABDQMUVNIXAMEC-UHFFFAOYSA-N -1 3 378.310 3.687 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCC(F)(F)F)cc1 ZINC000822143214 606830304 /nfs/dbraw/zinc/83/03/04/606830304.db2.gz ABDQMUVNIXAMEC-UHFFFAOYSA-N -1 3 378.310 3.687 20 0 GHADHM c1ccc2c(c1)CCO[C@H]2CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823762131 606841741 /nfs/dbraw/zinc/84/17/41/606841741.db2.gz JIHMOHUVRPISFU-IBGZPJMESA-N -1 3 382.489 3.683 20 0 GHADHM c1ccc2c(c1)CCO[C@H]2CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823762131 606841742 /nfs/dbraw/zinc/84/17/42/606841742.db2.gz JIHMOHUVRPISFU-IBGZPJMESA-N -1 3 382.489 3.683 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1F ZINC000820151613 606871802 /nfs/dbraw/zinc/87/18/02/606871802.db2.gz JSZZNIILDBAZQI-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1F ZINC000820151613 606871804 /nfs/dbraw/zinc/87/18/04/606871804.db2.gz JSZZNIILDBAZQI-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CCCc1nc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cs1 ZINC000821142501 606900786 /nfs/dbraw/zinc/90/07/86/606900786.db2.gz JVVAYVOHOCULDE-UHFFFAOYSA-N -1 3 397.382 3.652 20 0 GHADHM CCCc1nc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cs1 ZINC000821142501 606900788 /nfs/dbraw/zinc/90/07/88/606900788.db2.gz JVVAYVOHOCULDE-UHFFFAOYSA-N -1 3 397.382 3.652 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821384318 606928706 /nfs/dbraw/zinc/92/87/06/606928706.db2.gz UYBIPTRHFTVANE-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821384318 606928707 /nfs/dbraw/zinc/92/87/07/606928707.db2.gz UYBIPTRHFTVANE-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC(Cc3ccccc3Cl)C2)n1 ZINC000822723967 606947225 /nfs/dbraw/zinc/94/72/25/606947225.db2.gz VANVWPZZNNCFIQ-UHFFFAOYSA-N -1 3 394.788 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC(Cc3ccccc3Cl)C2)n1 ZINC000822723967 606947227 /nfs/dbraw/zinc/94/72/27/606947227.db2.gz VANVWPZZNNCFIQ-UHFFFAOYSA-N -1 3 394.788 3.613 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238432 606948145 /nfs/dbraw/zinc/94/81/45/606948145.db2.gz HOZYAMDLVMRKBN-HNNXBMFYSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238432 606948146 /nfs/dbraw/zinc/94/81/46/606948146.db2.gz HOZYAMDLVMRKBN-HNNXBMFYSA-N -1 3 385.855 3.608 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823303630 606949155 /nfs/dbraw/zinc/94/91/55/606949155.db2.gz PDHLXYXMEPKZRC-OAHLLOKOSA-N -1 3 397.870 3.629 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823303630 606949157 /nfs/dbraw/zinc/94/91/57/606949157.db2.gz PDHLXYXMEPKZRC-OAHLLOKOSA-N -1 3 397.870 3.629 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C(C)(C)C)C3)O1 ZINC000820678578 606957022 /nfs/dbraw/zinc/95/70/22/606957022.db2.gz WCRATMPPZINNHN-NQBHXWOUSA-N -1 3 389.525 3.585 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C(C)(C)C)C3)O1 ZINC000820678578 606957025 /nfs/dbraw/zinc/95/70/25/606957025.db2.gz WCRATMPPZINNHN-NQBHXWOUSA-N -1 3 389.525 3.585 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C(C)(C)C)C3)O1 ZINC000820678595 606957460 /nfs/dbraw/zinc/95/74/60/606957460.db2.gz WCRATMPPZINNHN-WZRBSPASSA-N -1 3 389.525 3.585 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C(C)(C)C)C3)O1 ZINC000820678595 606957461 /nfs/dbraw/zinc/95/74/61/606957461.db2.gz WCRATMPPZINNHN-WZRBSPASSA-N -1 3 389.525 3.585 20 0 GHADHM CSC=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000821956203 606957899 /nfs/dbraw/zinc/95/78/99/606957899.db2.gz JMNJFAMTDLCKBY-QROSGCPLSA-N -1 3 377.539 3.894 20 0 GHADHM CS/C=C/C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000821956203 606957901 /nfs/dbraw/zinc/95/79/01/606957901.db2.gz JMNJFAMTDLCKBY-QROSGCPLSA-N -1 3 377.539 3.894 20 0 GHADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819858066 606962120 /nfs/dbraw/zinc/96/21/20/606962120.db2.gz ZAGMPVCAOQUHKI-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819858066 606962122 /nfs/dbraw/zinc/96/21/22/606962122.db2.gz ZAGMPVCAOQUHKI-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573566 606962860 /nfs/dbraw/zinc/96/28/60/606962860.db2.gz VRWFVRSSBSEWPK-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573566 606962861 /nfs/dbraw/zinc/96/28/61/606962861.db2.gz VRWFVRSSBSEWPK-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820293777 606964089 /nfs/dbraw/zinc/96/40/89/606964089.db2.gz NLVJWZVICHGWTG-LBPRGKRZSA-N -1 3 387.896 3.911 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820293777 606964090 /nfs/dbraw/zinc/96/40/90/606964090.db2.gz NLVJWZVICHGWTG-LBPRGKRZSA-N -1 3 387.896 3.911 20 0 GHADHM COC(C)(C)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821672579 606987598 /nfs/dbraw/zinc/98/75/98/606987598.db2.gz PLNHHMIUAPYIJB-UHFFFAOYSA-N -1 3 397.504 3.515 20 0 GHADHM COC(C)(C)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821672579 606987599 /nfs/dbraw/zinc/98/75/99/606987599.db2.gz PLNHHMIUAPYIJB-UHFFFAOYSA-N -1 3 397.504 3.515 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(-c4nnn[n-]4)cs3)o2)cc1C ZINC000822214262 607003537 /nfs/dbraw/zinc/00/35/37/607003537.db2.gz WXBOCTMVGPYFNZ-NSHDSACASA-N -1 3 396.432 3.513 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(-c4nn[n-]n4)cs3)o2)cc1C ZINC000822214262 607003538 /nfs/dbraw/zinc/00/35/38/607003538.db2.gz WXBOCTMVGPYFNZ-NSHDSACASA-N -1 3 396.432 3.513 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820555241 607009701 /nfs/dbraw/zinc/00/97/01/607009701.db2.gz HSRIHDUWCJQEOU-HNNXBMFYSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820555241 607009703 /nfs/dbraw/zinc/00/97/03/607009703.db2.gz HSRIHDUWCJQEOU-HNNXBMFYSA-N -1 3 381.505 3.785 20 0 GHADHM CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccc(F)cc1 ZINC000821565576 607015632 /nfs/dbraw/zinc/01/56/32/607015632.db2.gz ZOHUDNULALDLEX-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccc(F)cc1 ZINC000821565576 607015634 /nfs/dbraw/zinc/01/56/34/607015634.db2.gz ZOHUDNULALDLEX-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263771 607024587 /nfs/dbraw/zinc/02/45/87/607024587.db2.gz YRADTEPMKBKOLM-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822263771 607024589 /nfs/dbraw/zinc/02/45/89/607024589.db2.gz YRADTEPMKBKOLM-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(-c2ccccc2)cc1 ZINC000822978796 607045283 /nfs/dbraw/zinc/04/52/83/607045283.db2.gz RNDJZSBEONGPIE-UHFFFAOYSA-N -1 3 397.482 3.825 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(-c2ccccc2)cc1 ZINC000822978796 607045285 /nfs/dbraw/zinc/04/52/85/607045285.db2.gz RNDJZSBEONGPIE-UHFFFAOYSA-N -1 3 397.482 3.825 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000820529200 607093240 /nfs/dbraw/zinc/09/32/40/607093240.db2.gz PRTAGMSZKHJNNW-TVQRCGJNSA-N -1 3 390.852 3.580 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC(C(F)F)CC1 ZINC000823493639 607097807 /nfs/dbraw/zinc/09/78/07/607097807.db2.gz RHTOOKVSHAKDMV-UHFFFAOYSA-N -1 3 398.417 3.728 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000820481688 607118217 /nfs/dbraw/zinc/11/82/17/607118217.db2.gz YJEYXZUGQWBRBJ-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000820481688 607118218 /nfs/dbraw/zinc/11/82/18/607118218.db2.gz YJEYXZUGQWBRBJ-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821127879 607140668 /nfs/dbraw/zinc/14/06/68/607140668.db2.gz NPJUVOMPKGAYSV-UHFFFAOYSA-N -1 3 387.440 3.525 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821127879 607140670 /nfs/dbraw/zinc/14/06/70/607140670.db2.gz NPJUVOMPKGAYSV-UHFFFAOYSA-N -1 3 387.440 3.525 20 0 GHADHM O=C(Cc1ccc(O)cc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823082395 607142804 /nfs/dbraw/zinc/14/28/04/607142804.db2.gz GZWFYNLDNBSVET-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Cc1ccc(O)cc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823082395 607142805 /nfs/dbraw/zinc/14/28/05/607142805.db2.gz GZWFYNLDNBSVET-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=c1c2ccccc2sn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823665490 607143641 /nfs/dbraw/zinc/14/36/41/607143641.db2.gz MBPIQYCJEZFVSC-UHFFFAOYSA-N -1 3 385.452 3.958 20 0 GHADHM O=c1c2ccccc2sn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823665490 607143643 /nfs/dbraw/zinc/14/36/43/607143643.db2.gz MBPIQYCJEZFVSC-UHFFFAOYSA-N -1 3 385.452 3.958 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820518593 607148204 /nfs/dbraw/zinc/14/82/04/607148204.db2.gz HJPXEBXGTVFRFD-LBPRGKRZSA-N -1 3 389.525 3.873 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820518593 607148206 /nfs/dbraw/zinc/14/82/06/607148206.db2.gz HJPXEBXGTVFRFD-LBPRGKRZSA-N -1 3 389.525 3.873 20 0 GHADHM CCO[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C(C)C ZINC000821351873 607150244 /nfs/dbraw/zinc/15/02/44/607150244.db2.gz WESFOFPCEYLJHG-ZDUSSCGKSA-N -1 3 377.514 3.587 20 0 GHADHM CCO[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C(C)C ZINC000821351873 607150245 /nfs/dbraw/zinc/15/02/45/607150245.db2.gz WESFOFPCEYLJHG-ZDUSSCGKSA-N -1 3 377.514 3.587 20 0 GHADHM CCN(C(=O)[C@H](C)OC1CCCCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149096 607153796 /nfs/dbraw/zinc/15/37/96/607153796.db2.gz RXTGIXHHAJIWJZ-HOTGVXAUSA-N -1 3 385.512 3.904 20 0 GHADHM CCN(C(=O)[C@H](C)OC1CCCCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149096 607153797 /nfs/dbraw/zinc/15/37/97/607153797.db2.gz RXTGIXHHAJIWJZ-HOTGVXAUSA-N -1 3 385.512 3.904 20 0 GHADHM CCCCC[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821050950 607165107 /nfs/dbraw/zinc/16/51/07/607165107.db2.gz VUCWPFTXABTEDW-SFHVURJKSA-N -1 3 385.512 3.987 20 0 GHADHM CCCCC[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821050950 607165108 /nfs/dbraw/zinc/16/51/08/607165108.db2.gz VUCWPFTXABTEDW-SFHVURJKSA-N -1 3 385.512 3.987 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccc(C)cc1 ZINC000821565490 607169775 /nfs/dbraw/zinc/16/97/75/607169775.db2.gz VEOWHEGHWFWXLM-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccc(C)cc1 ZINC000821565490 607169776 /nfs/dbraw/zinc/16/97/76/607169776.db2.gz VEOWHEGHWFWXLM-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000823299144 607187974 /nfs/dbraw/zinc/18/79/74/607187974.db2.gz JQXBSCPPICHOAJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000823299144 607187975 /nfs/dbraw/zinc/18/79/75/607187975.db2.gz JQXBSCPPICHOAJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822240027 607189255 /nfs/dbraw/zinc/18/92/55/607189255.db2.gz OZKNYGJFARZUMA-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822240027 607189256 /nfs/dbraw/zinc/18/92/56/607189256.db2.gz OZKNYGJFARZUMA-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(CCc1ccccc1)C1CC1 ZINC000823313537 607196160 /nfs/dbraw/zinc/19/61/60/607196160.db2.gz DSRJCMBLZYVRCJ-UHFFFAOYSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(CCc1ccccc1)C1CC1 ZINC000823313537 607196161 /nfs/dbraw/zinc/19/61/61/607196161.db2.gz DSRJCMBLZYVRCJ-UHFFFAOYSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000823318297 607197132 /nfs/dbraw/zinc/19/71/32/607197132.db2.gz BNNVJRXEFBKBNH-IRXDYDNUSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000823318297 607197133 /nfs/dbraw/zinc/19/71/33/607197133.db2.gz BNNVJRXEFBKBNH-IRXDYDNUSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1OCC1CC1 ZINC000823318584 607199785 /nfs/dbraw/zinc/19/97/85/607199785.db2.gz FJAOHUBNYKXSCW-UHFFFAOYSA-N -1 3 384.827 3.953 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1OCC1CC1 ZINC000823318584 607199786 /nfs/dbraw/zinc/19/97/86/607199786.db2.gz FJAOHUBNYKXSCW-UHFFFAOYSA-N -1 3 384.827 3.953 20 0 GHADHM COc1ccc([C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000821778077 607199999 /nfs/dbraw/zinc/19/99/99/607199999.db2.gz TUEGISPUEYOYPM-KRWDZBQOSA-N -1 3 398.854 3.802 20 0 GHADHM COc1ccc([C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000821778077 607200000 /nfs/dbraw/zinc/20/00/00/607200000.db2.gz TUEGISPUEYOYPM-KRWDZBQOSA-N -1 3 398.854 3.802 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(CCC(F)(F)F)CC1CC1 ZINC000823313908 607201116 /nfs/dbraw/zinc/20/11/16/607201116.db2.gz LTAYOXDSVVVZSG-UHFFFAOYSA-N -1 3 388.781 3.716 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(CCC(F)(F)F)CC1CC1 ZINC000823313908 607201117 /nfs/dbraw/zinc/20/11/17/607201117.db2.gz LTAYOXDSVVVZSG-UHFFFAOYSA-N -1 3 388.781 3.716 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820821134 607204208 /nfs/dbraw/zinc/20/42/08/607204208.db2.gz RSJAALWGIFDGSL-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820821134 607204209 /nfs/dbraw/zinc/20/42/09/607204209.db2.gz RSJAALWGIFDGSL-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000819976030 607237138 /nfs/dbraw/zinc/23/71/38/607237138.db2.gz IJALHTVAYRRIOU-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000819976030 607237139 /nfs/dbraw/zinc/23/71/39/607237139.db2.gz IJALHTVAYRRIOU-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1N1CCCCC1 ZINC000823319016 607243361 /nfs/dbraw/zinc/24/33/61/607243361.db2.gz OQTCPZYSONPFQM-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1N1CCCCC1 ZINC000823319016 607243362 /nfs/dbraw/zinc/24/33/62/607243362.db2.gz OQTCPZYSONPFQM-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(C1CC1)C1CC1 ZINC000826455098 607795164 /nfs/dbraw/zinc/79/51/64/607795164.db2.gz YVPXTERRAPGNJF-UHFFFAOYSA-N -1 3 389.459 3.820 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(C1CC1)C1CC1 ZINC000826455098 607795165 /nfs/dbraw/zinc/79/51/65/607795165.db2.gz YVPXTERRAPGNJF-UHFFFAOYSA-N -1 3 389.459 3.820 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825653507 607801250 /nfs/dbraw/zinc/80/12/50/607801250.db2.gz DGTMDDDKKUKSAN-UHFFFAOYSA-N -1 3 393.781 3.649 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825653507 607801251 /nfs/dbraw/zinc/80/12/51/607801251.db2.gz DGTMDDDKKUKSAN-UHFFFAOYSA-N -1 3 393.781 3.649 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824843599 607803814 /nfs/dbraw/zinc/80/38/14/607803814.db2.gz HPGNUACZHIVHEP-UHFFFAOYSA-N -1 3 380.427 3.591 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824843599 607803815 /nfs/dbraw/zinc/80/38/15/607803815.db2.gz HPGNUACZHIVHEP-UHFFFAOYSA-N -1 3 380.427 3.591 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826291220 607825975 /nfs/dbraw/zinc/82/59/75/607825975.db2.gz VADFSSMNBXQCEI-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826291220 607825976 /nfs/dbraw/zinc/82/59/76/607825976.db2.gz VADFSSMNBXQCEI-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824716630 607830509 /nfs/dbraw/zinc/83/05/09/607830509.db2.gz ZGWRXQCSPBWYMO-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824716630 607830510 /nfs/dbraw/zinc/83/05/10/607830510.db2.gz ZGWRXQCSPBWYMO-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000824477633 607843524 /nfs/dbraw/zinc/84/35/24/607843524.db2.gz BFBAKMCOAZWFHC-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000824477633 607843525 /nfs/dbraw/zinc/84/35/25/607843525.db2.gz BFBAKMCOAZWFHC-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM O[C@@H](COc1ccc2oc3c(c2c1)CCCC3)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505238 607872425 /nfs/dbraw/zinc/87/24/25/607872425.db2.gz QFGFPCDCWMPRRV-SFHVURJKSA-N -1 3 376.416 3.604 20 0 GHADHM O[C@@H](COc1ccc2oc3c(c2c1)CCCC3)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505238 607872426 /nfs/dbraw/zinc/87/24/26/607872426.db2.gz QFGFPCDCWMPRRV-SFHVURJKSA-N -1 3 376.416 3.604 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376995 607877904 /nfs/dbraw/zinc/87/79/04/607877904.db2.gz QNBANGAQSDCOSM-UHFFFAOYSA-N -1 3 398.829 3.736 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376995 607877905 /nfs/dbraw/zinc/87/79/05/607877905.db2.gz QNBANGAQSDCOSM-UHFFFAOYSA-N -1 3 398.829 3.736 20 0 GHADHM CCN(C(=O)c1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385573 607877946 /nfs/dbraw/zinc/87/79/46/607877946.db2.gz LNFJZMVMVGMVEQ-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM CCN(C(=O)c1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385573 607877947 /nfs/dbraw/zinc/87/79/47/607877947.db2.gz LNFJZMVMVGMVEQ-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826407851 607886938 /nfs/dbraw/zinc/88/69/38/607886938.db2.gz DXYMHYXDCLKQDX-UHFFFAOYSA-N -1 3 392.390 3.942 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826407851 607886939 /nfs/dbraw/zinc/88/69/39/607886939.db2.gz DXYMHYXDCLKQDX-UHFFFAOYSA-N -1 3 392.390 3.942 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826323603 607893359 /nfs/dbraw/zinc/89/33/59/607893359.db2.gz KKLLDLPTCNVFLE-LBPRGKRZSA-N -1 3 385.497 3.980 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826323603 607893360 /nfs/dbraw/zinc/89/33/60/607893360.db2.gz KKLLDLPTCNVFLE-LBPRGKRZSA-N -1 3 385.497 3.980 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826323918 607913016 /nfs/dbraw/zinc/91/30/16/607913016.db2.gz XJSMWCNFCXOOSV-CQSZACIVSA-N -1 3 398.536 3.907 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826323918 607913017 /nfs/dbraw/zinc/91/30/17/607913017.db2.gz XJSMWCNFCXOOSV-CQSZACIVSA-N -1 3 398.536 3.907 20 0 GHADHM CN(C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCSC1 ZINC000825820669 607918204 /nfs/dbraw/zinc/91/82/04/607918204.db2.gz OMVBIVJPSXPDAS-HNNXBMFYSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCSC1 ZINC000825820669 607918205 /nfs/dbraw/zinc/91/82/05/607918205.db2.gz OMVBIVJPSXPDAS-HNNXBMFYSA-N -1 3 396.476 3.628 20 0 GHADHM COc1ccc(CCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826191721 607946385 /nfs/dbraw/zinc/94/63/85/607946385.db2.gz NXMCGDKJFPCSOX-UHFFFAOYSA-N -1 3 391.475 3.568 20 0 GHADHM COc1ccc(CCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826191721 607946386 /nfs/dbraw/zinc/94/63/86/607946386.db2.gz NXMCGDKJFPCSOX-UHFFFAOYSA-N -1 3 391.475 3.568 20 0 GHADHM O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826423851 607948081 /nfs/dbraw/zinc/94/80/81/607948081.db2.gz JZAPRLPZMTVKSI-UHFFFAOYSA-N -1 3 395.422 3.898 20 0 GHADHM O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826423851 607948082 /nfs/dbraw/zinc/94/80/82/607948082.db2.gz JZAPRLPZMTVKSI-UHFFFAOYSA-N -1 3 395.422 3.898 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000824255570 607962162 /nfs/dbraw/zinc/96/21/62/607962162.db2.gz OKYXWHRABSTPEX-VMPITWQZSA-N -1 3 396.882 3.613 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000824255570 607962163 /nfs/dbraw/zinc/96/21/63/607962163.db2.gz OKYXWHRABSTPEX-VMPITWQZSA-N -1 3 396.882 3.613 20 0 GHADHM CN(C(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817728 607963234 /nfs/dbraw/zinc/96/32/34/607963234.db2.gz NMGBGSJPUQSTAD-UHFFFAOYSA-N -1 3 398.470 3.536 20 0 GHADHM CN(C(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817728 607963235 /nfs/dbraw/zinc/96/32/35/607963235.db2.gz NMGBGSJPUQSTAD-UHFFFAOYSA-N -1 3 398.470 3.536 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826403368 607963530 /nfs/dbraw/zinc/96/35/30/607963530.db2.gz QDRLNKPBKBULAS-DAFODLJHSA-N -1 3 394.744 3.586 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826403368 607963531 /nfs/dbraw/zinc/96/35/31/607963531.db2.gz QDRLNKPBKBULAS-DAFODLJHSA-N -1 3 394.744 3.586 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337687 607968965 /nfs/dbraw/zinc/96/89/65/607968965.db2.gz XLAKSWZIGNNYPL-JOYOIKCWSA-N -1 3 390.904 3.717 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337687 607968966 /nfs/dbraw/zinc/96/89/66/607968966.db2.gz XLAKSWZIGNNYPL-JOYOIKCWSA-N -1 3 390.904 3.717 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(Br)c1 ZINC000825782780 607975213 /nfs/dbraw/zinc/97/52/13/607975213.db2.gz PBQLVKNBMKZLIZ-UHFFFAOYSA-N -1 3 399.252 3.674 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(Br)c1 ZINC000825782780 607975214 /nfs/dbraw/zinc/97/52/14/607975214.db2.gz PBQLVKNBMKZLIZ-UHFFFAOYSA-N -1 3 399.252 3.674 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1csc(Br)c1 ZINC000825783030 607975330 /nfs/dbraw/zinc/97/53/30/607975330.db2.gz ZBZHDPKUSWEQLF-UHFFFAOYSA-N -1 3 375.255 3.727 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1csc(Br)c1 ZINC000825783030 607975331 /nfs/dbraw/zinc/97/53/31/607975331.db2.gz ZBZHDPKUSWEQLF-UHFFFAOYSA-N -1 3 375.255 3.727 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(OC)c1 ZINC000825332744 607985338 /nfs/dbraw/zinc/98/53/38/607985338.db2.gz LGWFHRBTJWDKJD-UHFFFAOYSA-N -1 3 386.843 3.603 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cs2)n1C ZINC000826273523 607999980 /nfs/dbraw/zinc/99/99/80/607999980.db2.gz IIUGSFCQIUNXIN-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cs2)n1C ZINC000826273523 607999981 /nfs/dbraw/zinc/99/99/81/607999981.db2.gz IIUGSFCQIUNXIN-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1CCC(F)(F)F ZINC000826454832 608006835 /nfs/dbraw/zinc/00/68/35/608006835.db2.gz MSHPMXXBNNLLNL-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1CCC(F)(F)F ZINC000826454832 608006836 /nfs/dbraw/zinc/00/68/36/608006836.db2.gz MSHPMXXBNNLLNL-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM Cc1cc([C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)ccc1F ZINC000826262130 608008107 /nfs/dbraw/zinc/00/81/07/608008107.db2.gz FJQBFYWCLWMDHJ-SFHVURJKSA-N -1 3 380.427 3.895 20 0 GHADHM Cc1cc([C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)ccc1F ZINC000826262130 608008108 /nfs/dbraw/zinc/00/81/08/608008108.db2.gz FJQBFYWCLWMDHJ-SFHVURJKSA-N -1 3 380.427 3.895 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348062 608008215 /nfs/dbraw/zinc/00/82/15/608008215.db2.gz YHDIAMXHSANMRZ-HXUWFJFHSA-N -1 3 391.475 3.733 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348062 608008216 /nfs/dbraw/zinc/00/82/16/608008216.db2.gz YHDIAMXHSANMRZ-HXUWFJFHSA-N -1 3 391.475 3.733 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000826406542 608024441 /nfs/dbraw/zinc/02/44/41/608024441.db2.gz BOSDIOSUKPVWPS-UHFFFAOYSA-N -1 3 380.839 3.894 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccccc1-c1nn[n-]n1 ZINC000826406542 608024442 /nfs/dbraw/zinc/02/44/42/608024442.db2.gz BOSDIOSUKPVWPS-UHFFFAOYSA-N -1 3 380.839 3.894 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(-c2ccoc2)c1 ZINC000826451618 608027707 /nfs/dbraw/zinc/02/77/07/608027707.db2.gz OPKZMYIULABRLL-UHFFFAOYSA-N -1 3 397.341 3.980 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(-c2ccoc2)c1 ZINC000826451618 608027708 /nfs/dbraw/zinc/02/77/08/608027708.db2.gz OPKZMYIULABRLL-UHFFFAOYSA-N -1 3 397.341 3.980 20 0 GHADHM CN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1ccccc1-c1nnn[n-]1 ZINC000825817159 608028873 /nfs/dbraw/zinc/02/88/73/608028873.db2.gz DERIVXKETHHDPF-UHFFFAOYSA-N -1 3 394.866 3.918 20 0 GHADHM CN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1ccccc1-c1nn[n-]n1 ZINC000825817159 608028874 /nfs/dbraw/zinc/02/88/74/608028874.db2.gz DERIVXKETHHDPF-UHFFFAOYSA-N -1 3 394.866 3.918 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1C1CC1 ZINC000825081843 608029886 /nfs/dbraw/zinc/02/98/86/608029886.db2.gz NGGNMAMFPVWAGX-CYBMUJFWSA-N -1 3 380.452 3.577 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1C1CC1 ZINC000825081843 608029887 /nfs/dbraw/zinc/02/98/87/608029887.db2.gz NGGNMAMFPVWAGX-CYBMUJFWSA-N -1 3 380.452 3.577 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1cccc2cccnc21 ZINC000823826422 608048515 /nfs/dbraw/zinc/04/85/15/608048515.db2.gz IKRKLLGOKICDSQ-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCc2cc(F)ccc2F)s1 ZINC000825694518 608061387 /nfs/dbraw/zinc/06/13/87/608061387.db2.gz RPBUTAGSVNQLJE-UHFFFAOYSA-N -1 3 377.420 3.730 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCc2cc(F)ccc2F)s1 ZINC000825694518 608061388 /nfs/dbraw/zinc/06/13/88/608061388.db2.gz RPBUTAGSVNQLJE-UHFFFAOYSA-N -1 3 377.420 3.730 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081856 608105952 /nfs/dbraw/zinc/10/59/52/608105952.db2.gz NXBCAHINNIJHBA-STQMWFEESA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081856 608105953 /nfs/dbraw/zinc/10/59/53/608105953.db2.gz NXBCAHINNIJHBA-STQMWFEESA-N -1 3 394.483 3.794 20 0 GHADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477821 608111436 /nfs/dbraw/zinc/11/14/36/608111436.db2.gz MHONBMPWJWAELX-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477821 608111437 /nfs/dbraw/zinc/11/14/37/608111437.db2.gz MHONBMPWJWAELX-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077632 608149208 /nfs/dbraw/zinc/14/92/08/608149208.db2.gz CDBOQVFLWBNPQZ-ABAIWWIYSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077632 608149209 /nfs/dbraw/zinc/14/92/09/608149209.db2.gz CDBOQVFLWBNPQZ-ABAIWWIYSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000824324645 608154023 /nfs/dbraw/zinc/15/40/23/608154023.db2.gz SYNHJIVGXCRMKD-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000824324645 608154025 /nfs/dbraw/zinc/15/40/25/608154025.db2.gz SYNHJIVGXCRMKD-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM CCCC(=CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)CCC ZINC000825220414 608163387 /nfs/dbraw/zinc/16/33/87/608163387.db2.gz SXHJLPYJOQERCT-UHFFFAOYSA-N -1 3 398.511 3.595 20 0 GHADHM CCCC(=CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)CCC ZINC000825220414 608163388 /nfs/dbraw/zinc/16/33/88/608163388.db2.gz SXHJLPYJOQERCT-UHFFFAOYSA-N -1 3 398.511 3.595 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826280414 608186334 /nfs/dbraw/zinc/18/63/34/608186334.db2.gz AUPOYKXYGZMODL-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826280414 608186336 /nfs/dbraw/zinc/18/63/36/608186336.db2.gz AUPOYKXYGZMODL-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000824754550 608206900 /nfs/dbraw/zinc/20/69/00/608206900.db2.gz IOPNEQWIWZYNPX-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000824754550 608206902 /nfs/dbraw/zinc/20/69/02/608206902.db2.gz IOPNEQWIWZYNPX-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM COc1cccc(C[C@@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826216203 608223425 /nfs/dbraw/zinc/22/34/25/608223425.db2.gz OOBQSVCHQJPNGX-SFHVURJKSA-N -1 3 386.459 3.635 20 0 GHADHM COc1cccc(C[C@@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826216203 608223427 /nfs/dbraw/zinc/22/34/27/608223427.db2.gz OOBQSVCHQJPNGX-SFHVURJKSA-N -1 3 386.459 3.635 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc3cc(-c4nnn[n-]4)ccc3n1)CCCO2 ZINC000826375868 608223571 /nfs/dbraw/zinc/22/35/71/608223571.db2.gz FEJVJXLHQCBWCW-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)CCCO2 ZINC000826375868 608223574 /nfs/dbraw/zinc/22/35/74/608223574.db2.gz FEJVJXLHQCBWCW-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(SC[C@@H](C)CO)n2)o1 ZINC000826273347 608265311 /nfs/dbraw/zinc/26/53/11/608265311.db2.gz ZTLAYRKADTWZKS-QMMMGPOBSA-N -1 3 399.398 3.569 20 0 GHADHM Cc1nc([C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)sc1C ZINC000826324986 608280541 /nfs/dbraw/zinc/28/05/41/608280541.db2.gz KCWVHYSMUOHZLF-HNNXBMFYSA-N -1 3 395.536 3.598 20 0 GHADHM Cc1nc([C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)sc1C ZINC000826324986 608280543 /nfs/dbraw/zinc/28/05/43/608280543.db2.gz KCWVHYSMUOHZLF-HNNXBMFYSA-N -1 3 395.536 3.598 20 0 GHADHM c1c2c(nc(N3CCC(OCC4CCCCC4)CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826511938 608291810 /nfs/dbraw/zinc/29/18/10/608291810.db2.gz JZJHHEKRLWQYIF-UHFFFAOYSA-N -1 3 396.539 3.706 20 0 GHADHM c1c2c(nc(N3CCC(OCC4CCCCC4)CC3)c1-c1nn[n-]n1)CCCC2 ZINC000826511938 608291811 /nfs/dbraw/zinc/29/18/11/608291811.db2.gz JZJHHEKRLWQYIF-UHFFFAOYSA-N -1 3 396.539 3.706 20 0 GHADHM COc1c(C)cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000826167246 608300445 /nfs/dbraw/zinc/30/04/45/608300445.db2.gz VRVVQIBOJSNBBM-UHFFFAOYSA-N -1 3 379.464 3.543 20 0 GHADHM COc1c(C)cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000826167246 608300446 /nfs/dbraw/zinc/30/04/46/608300446.db2.gz VRVVQIBOJSNBBM-UHFFFAOYSA-N -1 3 379.464 3.543 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723273 608309242 /nfs/dbraw/zinc/30/92/42/608309242.db2.gz ONVKLSBRZLNGHD-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723273 608309244 /nfs/dbraw/zinc/30/92/44/608309244.db2.gz ONVKLSBRZLNGHD-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721745 608317762 /nfs/dbraw/zinc/31/77/62/608317762.db2.gz DDEZZZFKNGLKNZ-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721745 608317764 /nfs/dbraw/zinc/31/77/64/608317764.db2.gz DDEZZZFKNGLKNZ-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM CCCC(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC)c1C ZINC000825225192 608320418 /nfs/dbraw/zinc/32/04/18/608320418.db2.gz NRSHOCCNOYNXEH-UHFFFAOYSA-N -1 3 380.452 3.534 20 0 GHADHM CCCC(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC)c1C ZINC000825225192 608320419 /nfs/dbraw/zinc/32/04/19/608320419.db2.gz NRSHOCCNOYNXEH-UHFFFAOYSA-N -1 3 380.452 3.534 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825734853 608330965 /nfs/dbraw/zinc/33/09/65/608330965.db2.gz NNDXTEYWXOAKOP-VIFPVBQESA-N -1 3 391.262 3.622 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825734853 608330967 /nfs/dbraw/zinc/33/09/67/608330967.db2.gz NNDXTEYWXOAKOP-VIFPVBQESA-N -1 3 391.262 3.622 20 0 GHADHM CCN(C(=O)c1nc2ccccc2s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390705 608336490 /nfs/dbraw/zinc/33/64/90/608336490.db2.gz KVTPFPKKQPRWLU-GFCCVEGCSA-N -1 3 378.461 3.700 20 0 GHADHM CCN(C(=O)c1nc2ccccc2s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390705 608336491 /nfs/dbraw/zinc/33/64/91/608336491.db2.gz KVTPFPKKQPRWLU-GFCCVEGCSA-N -1 3 378.461 3.700 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CCCCCC1 ZINC000826440800 608357233 /nfs/dbraw/zinc/35/72/33/608357233.db2.gz AWNXOZXWEZAYFL-UHFFFAOYSA-N -1 3 376.464 3.619 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CCCCCC1 ZINC000826440800 608357235 /nfs/dbraw/zinc/35/72/35/608357235.db2.gz AWNXOZXWEZAYFL-UHFFFAOYSA-N -1 3 376.464 3.619 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccc(C)cc1 ZINC000825796958 608398864 /nfs/dbraw/zinc/39/88/64/608398864.db2.gz RJHIWMHPLVCNNP-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccc(C)cc1 ZINC000825796958 608398867 /nfs/dbraw/zinc/39/88/67/608398867.db2.gz RJHIWMHPLVCNNP-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407016 608435828 /nfs/dbraw/zinc/43/58/28/608435828.db2.gz XEUFRMOAZSJTOZ-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407016 608435830 /nfs/dbraw/zinc/43/58/30/608435830.db2.gz XEUFRMOAZSJTOZ-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Oc1cccnc1 ZINC000826466803 608447240 /nfs/dbraw/zinc/44/72/40/608447240.db2.gz UMWWGGQLXSZZIE-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Oc1cccnc1 ZINC000826466803 608447242 /nfs/dbraw/zinc/44/72/42/608447242.db2.gz UMWWGGQLXSZZIE-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826453570 608471433 /nfs/dbraw/zinc/47/14/33/608471433.db2.gz PPJOCAOTGPOUJW-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826453570 608471434 /nfs/dbraw/zinc/47/14/34/608471434.db2.gz PPJOCAOTGPOUJW-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM Cc1ccsc1CCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316581 608484999 /nfs/dbraw/zinc/48/49/99/608484999.db2.gz SETSFGRFXUVMJL-UHFFFAOYSA-N -1 3 393.516 3.875 20 0 GHADHM Cc1ccsc1CCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826316581 608485000 /nfs/dbraw/zinc/48/50/00/608485000.db2.gz SETSFGRFXUVMJL-UHFFFAOYSA-N -1 3 393.516 3.875 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000823944167 608485931 /nfs/dbraw/zinc/48/59/31/608485931.db2.gz ZHBMFCXBSZRPDN-FYWRMAATSA-N -1 3 389.434 3.725 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(F)c1 ZINC000823944167 608485932 /nfs/dbraw/zinc/48/59/32/608485932.db2.gz ZHBMFCXBSZRPDN-FYWRMAATSA-N -1 3 389.434 3.725 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1Cl ZINC000824633249 608535454 /nfs/dbraw/zinc/53/54/54/608535454.db2.gz JAGOWMIMOFLLBI-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1Cl ZINC000824633249 608535456 /nfs/dbraw/zinc/53/54/56/608535456.db2.gz JAGOWMIMOFLLBI-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM Fc1ccc(COC2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000826375098 608560271 /nfs/dbraw/zinc/56/02/71/608560271.db2.gz ZKFYCBPIIVLKKV-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccc(COC2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000826375098 608560272 /nfs/dbraw/zinc/56/02/72/608560272.db2.gz ZKFYCBPIIVLKKV-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825006218 608574888 /nfs/dbraw/zinc/57/48/88/608574888.db2.gz GOEAGUGTKOBMHF-FHSNZYRGSA-N -1 3 397.866 3.511 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825006218 608574890 /nfs/dbraw/zinc/57/48/90/608574890.db2.gz GOEAGUGTKOBMHF-FHSNZYRGSA-N -1 3 397.866 3.511 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114787 608581965 /nfs/dbraw/zinc/58/19/65/608581965.db2.gz QBUIXMBLDWKZPU-HNNXBMFYSA-N -1 3 395.511 3.956 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114787 608581968 /nfs/dbraw/zinc/58/19/68/608581968.db2.gz QBUIXMBLDWKZPU-HNNXBMFYSA-N -1 3 395.511 3.956 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3sccc3-c3nnn[n-]3)cs2)cc1 ZINC000826288808 608667348 /nfs/dbraw/zinc/66/73/48/608667348.db2.gz XNXCDRNRKVMCNR-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3sccc3-c3nn[n-]n3)cs2)cc1 ZINC000826288808 608667350 /nfs/dbraw/zinc/66/73/50/608667350.db2.gz XNXCDRNRKVMCNR-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000826520066 608676030 /nfs/dbraw/zinc/67/60/30/608676030.db2.gz ZHMKKPGQRJPIKJ-OAHLLOKOSA-N -1 3 393.476 3.705 20 0 GHADHM c1cc(-c2nn[n-]n2)sc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000826520066 608676031 /nfs/dbraw/zinc/67/60/31/608676031.db2.gz ZHMKKPGQRJPIKJ-OAHLLOKOSA-N -1 3 393.476 3.705 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824812688 608696764 /nfs/dbraw/zinc/69/67/64/608696764.db2.gz OFUBZTZRBBCJLY-OAHLLOKOSA-N -1 3 389.912 3.934 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824812688 608696766 /nfs/dbraw/zinc/69/67/66/608696766.db2.gz OFUBZTZRBBCJLY-OAHLLOKOSA-N -1 3 389.912 3.934 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3Cc3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000826372772 608714248 /nfs/dbraw/zinc/71/42/48/608714248.db2.gz LDOCPDBQDCKRTB-KRWDZBQOSA-N -1 3 395.467 3.795 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3Cc3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000826372772 608714249 /nfs/dbraw/zinc/71/42/49/608714249.db2.gz LDOCPDBQDCKRTB-KRWDZBQOSA-N -1 3 395.467 3.795 20 0 GHADHM Clc1cc(Cl)cc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826351069 608854214 /nfs/dbraw/zinc/85/42/14/608854214.db2.gz WEZOIIWIQXLBMF-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1cc(Cl)cc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826351069 608854216 /nfs/dbraw/zinc/85/42/16/608854216.db2.gz WEZOIIWIQXLBMF-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2scnc2Cl)c1-c1nnn[n-]1 ZINC000826234472 609168601 /nfs/dbraw/zinc/16/86/01/609168601.db2.gz YGNQWVHBERRTEY-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2scnc2Cl)c1-c1nn[n-]n1 ZINC000826234472 609168602 /nfs/dbraw/zinc/16/86/02/609168602.db2.gz YGNQWVHBERRTEY-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826264052 609180445 /nfs/dbraw/zinc/18/04/45/609180445.db2.gz AKLVXVLZEGFRPQ-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826264052 609180447 /nfs/dbraw/zinc/18/04/47/609180447.db2.gz AKLVXVLZEGFRPQ-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000826184238 609180855 /nfs/dbraw/zinc/18/08/55/609180855.db2.gz PPDWJAXSRZPVRO-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000826184238 609180857 /nfs/dbraw/zinc/18/08/57/609180857.db2.gz PPDWJAXSRZPVRO-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384885 609232319 /nfs/dbraw/zinc/23/23/19/609232319.db2.gz IJXGKLNETCBNKP-OLZOCXBDSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384885 609232320 /nfs/dbraw/zinc/23/23/20/609232320.db2.gz IJXGKLNETCBNKP-OLZOCXBDSA-N -1 3 397.866 3.606 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825267323 609240589 /nfs/dbraw/zinc/24/05/89/609240589.db2.gz KQHAAGQXZFPWKA-DNVCBOLYSA-N -1 3 384.528 3.599 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825267323 609240591 /nfs/dbraw/zinc/24/05/91/609240591.db2.gz KQHAAGQXZFPWKA-DNVCBOLYSA-N -1 3 384.528 3.599 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825146327 609242240 /nfs/dbraw/zinc/24/22/40/609242240.db2.gz CIJJGNCTBHGZCM-HXUWFJFHSA-N -1 3 392.507 3.699 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825146327 609242242 /nfs/dbraw/zinc/24/22/42/609242242.db2.gz CIJJGNCTBHGZCM-HXUWFJFHSA-N -1 3 392.507 3.699 20 0 GHADHM O=C1CCCN1c1ccc(F)c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826480395 609255665 /nfs/dbraw/zinc/25/56/65/609255665.db2.gz ACKIOHGMVMHQSG-SFHVURJKSA-N -1 3 392.438 3.622 20 0 GHADHM O=C1CCCN1c1ccc(F)c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826480395 609255666 /nfs/dbraw/zinc/25/56/66/609255666.db2.gz ACKIOHGMVMHQSG-SFHVURJKSA-N -1 3 392.438 3.622 20 0 GHADHM CC(C)(C)c1csc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)n1 ZINC000824135116 609278232 /nfs/dbraw/zinc/27/82/32/609278232.db2.gz AWVWEOWQTVRKOC-UHFFFAOYSA-N -1 3 398.471 3.558 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826306688 609300094 /nfs/dbraw/zinc/30/00/94/609300094.db2.gz HYFRWNIPEMDCFP-UKRRQHHQSA-N -1 3 381.867 3.847 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826306688 609300096 /nfs/dbraw/zinc/30/00/96/609300096.db2.gz HYFRWNIPEMDCFP-UKRRQHHQSA-N -1 3 381.867 3.847 20 0 GHADHM Cc1nc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cs1 ZINC000826326571 609311700 /nfs/dbraw/zinc/31/17/00/609311700.db2.gz VTEKANMADQYNEG-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1nc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cs1 ZINC000826326571 609311702 /nfs/dbraw/zinc/31/17/02/609311702.db2.gz VTEKANMADQYNEG-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM CSc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826231077 609320406 /nfs/dbraw/zinc/32/04/06/609320406.db2.gz VVFLIORTQMJKJA-UHFFFAOYSA-N -1 3 381.440 3.526 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826428490 609330227 /nfs/dbraw/zinc/33/02/27/609330227.db2.gz CWTVLCOEFBBRHC-GFCCVEGCSA-N -1 3 385.374 3.577 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826428490 609330229 /nfs/dbraw/zinc/33/02/29/609330229.db2.gz CWTVLCOEFBBRHC-GFCCVEGCSA-N -1 3 385.374 3.577 20 0 GHADHM Cc1cnn(-c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc2F)c1 ZINC000826319593 609350503 /nfs/dbraw/zinc/35/05/03/609350503.db2.gz JRRCWYALDLKMLB-LBPRGKRZSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1cnn(-c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc2F)c1 ZINC000826319593 609350504 /nfs/dbraw/zinc/35/05/04/609350504.db2.gz JRRCWYALDLKMLB-LBPRGKRZSA-N -1 3 381.390 3.812 20 0 GHADHM O=C(NOCc1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826450009 609365287 /nfs/dbraw/zinc/36/52/87/609365287.db2.gz SRUKGWMCZMXPQF-UHFFFAOYSA-N -1 3 387.399 3.521 20 0 GHADHM O=C(NOCc1ccccc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826450009 609365289 /nfs/dbraw/zinc/36/52/89/609365289.db2.gz SRUKGWMCZMXPQF-UHFFFAOYSA-N -1 3 387.399 3.521 20 0 GHADHM Clc1cc(N[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350780 609369679 /nfs/dbraw/zinc/36/96/79/609369679.db2.gz KVSNQLANRRRULF-MRXNPFEDSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1cc(N[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350780 609369682 /nfs/dbraw/zinc/36/96/82/609369682.db2.gz KVSNQLANRRRULF-MRXNPFEDSA-N -1 3 385.855 3.690 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H]1F ZINC000824948381 609380791 /nfs/dbraw/zinc/38/07/91/609380791.db2.gz USFQFRGTZFJNBI-SCLBCKFNSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@H]1F ZINC000824948381 609380793 /nfs/dbraw/zinc/38/07/93/609380793.db2.gz USFQFRGTZFJNBI-SCLBCKFNSA-N -1 3 396.426 3.871 20 0 GHADHM CCCn1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000825357089 609380880 /nfs/dbraw/zinc/38/08/80/609380880.db2.gz XUNCGUKANYGRHQ-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCS1 ZINC000825203584 609385269 /nfs/dbraw/zinc/38/52/69/609385269.db2.gz NMGCTKJPIWGKSN-AWEZNQCLSA-N -1 3 395.488 3.627 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCS1 ZINC000825203584 609385271 /nfs/dbraw/zinc/38/52/71/609385271.db2.gz NMGCTKJPIWGKSN-AWEZNQCLSA-N -1 3 395.488 3.627 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000826375154 609388738 /nfs/dbraw/zinc/38/87/38/609388738.db2.gz BLCYDJMVSMQROC-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000826375154 609388739 /nfs/dbraw/zinc/38/87/39/609388739.db2.gz BLCYDJMVSMQROC-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000824215856 609389221 /nfs/dbraw/zinc/38/92/21/609389221.db2.gz NCOIURWOEGBBJB-ABAIWWIYSA-N -1 3 397.401 3.665 20 0 GHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000824215856 609389223 /nfs/dbraw/zinc/38/92/23/609389223.db2.gz NCOIURWOEGBBJB-ABAIWWIYSA-N -1 3 397.401 3.665 20 0 GHADHM CSc1cccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826231090 609408636 /nfs/dbraw/zinc/40/86/36/609408636.db2.gz WYFVEJUCRMGIPP-QGZVFWFLSA-N -1 3 394.504 3.505 20 0 GHADHM CSc1cccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826231090 609408638 /nfs/dbraw/zinc/40/86/38/609408638.db2.gz WYFVEJUCRMGIPP-QGZVFWFLSA-N -1 3 394.504 3.505 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455372 609421450 /nfs/dbraw/zinc/42/14/50/609421450.db2.gz LDOWRQVHHVYANB-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455372 609421451 /nfs/dbraw/zinc/42/14/51/609421451.db2.gz LDOWRQVHHVYANB-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM Cc1cc2cc(C(=O)Nc3ccccc3-c3nnn[n-]3)oc2c(Br)c1 ZINC000826256603 609442825 /nfs/dbraw/zinc/44/28/25/609442825.db2.gz RCHCRUXQZBGQNI-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc2cc(C(=O)Nc3ccccc3-c3nn[n-]n3)oc2c(Br)c1 ZINC000826256603 609442828 /nfs/dbraw/zinc/44/28/28/609442828.db2.gz RCHCRUXQZBGQNI-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CC[C@H](C)NC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825068452 609443789 /nfs/dbraw/zinc/44/37/89/609443789.db2.gz RWJYYCBIHQBUDW-UONOGXRCSA-N -1 3 380.521 3.857 20 0 GHADHM CC[C@H](C)NC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825068452 609443792 /nfs/dbraw/zinc/44/37/92/609443792.db2.gz RWJYYCBIHQBUDW-UONOGXRCSA-N -1 3 380.521 3.857 20 0 GHADHM COc1ccc(CNc2cc(F)c(OC(C)(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC000826203434 609446060 /nfs/dbraw/zinc/44/60/60/609446060.db2.gz NRIRXJGNDJDSNN-UHFFFAOYSA-N -1 3 389.406 3.943 20 0 GHADHM COc1ccc(CNc2cc(F)c(OC(C)(C)C)c(F)c2)cc1-c1nn[n-]n1 ZINC000826203434 609446062 /nfs/dbraw/zinc/44/60/62/609446062.db2.gz NRIRXJGNDJDSNN-UHFFFAOYSA-N -1 3 389.406 3.943 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)C1 ZINC000824926628 609450236 /nfs/dbraw/zinc/45/02/36/609450236.db2.gz KLFDLCDMJVCSMR-DYVFJYSZSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)C1 ZINC000824926628 609450237 /nfs/dbraw/zinc/45/02/37/609450237.db2.gz KLFDLCDMJVCSMR-DYVFJYSZSA-N -1 3 380.452 3.542 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000826286966 609454587 /nfs/dbraw/zinc/45/45/87/609454587.db2.gz XHRHSLYRWYYQAT-GFCCVEGCSA-N -1 3 387.390 3.594 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000826286966 609454590 /nfs/dbraw/zinc/45/45/90/609454590.db2.gz XHRHSLYRWYYQAT-GFCCVEGCSA-N -1 3 387.390 3.594 20 0 GHADHM c1nc2ccccn2c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826516702 609485217 /nfs/dbraw/zinc/48/52/17/609485217.db2.gz WWKHYBJTGBTLQJ-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1nc2ccccn2c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826516702 609485220 /nfs/dbraw/zinc/48/52/20/609485220.db2.gz WWKHYBJTGBTLQJ-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM CCCOc1ccc(CNc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)cc1 ZINC000825338701 609487332 /nfs/dbraw/zinc/48/73/32/609487332.db2.gz FKZJBDPKDBYALQ-UHFFFAOYSA-N -1 3 396.451 3.836 20 0 GHADHM CCCOc1ccc(CNc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)cc1 ZINC000825338701 609487335 /nfs/dbraw/zinc/48/73/35/609487335.db2.gz FKZJBDPKDBYALQ-UHFFFAOYSA-N -1 3 396.451 3.836 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@H]2C[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000825552939 609487603 /nfs/dbraw/zinc/48/76/03/609487603.db2.gz GHRNWBOAILFZTK-GDBMZVCRSA-N -1 3 378.436 3.651 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@H]2C[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000825552939 609487606 /nfs/dbraw/zinc/48/76/06/609487606.db2.gz GHRNWBOAILFZTK-GDBMZVCRSA-N -1 3 378.436 3.651 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826238845 609522370 /nfs/dbraw/zinc/52/23/70/609522370.db2.gz QSQKYDHWHSTMJZ-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826238845 609522372 /nfs/dbraw/zinc/52/23/72/609522372.db2.gz QSQKYDHWHSTMJZ-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826239146 609530855 /nfs/dbraw/zinc/53/08/55/609530855.db2.gz YVYBNFHUXPGWRG-VIFPVBQESA-N -1 3 380.786 3.998 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826239146 609530857 /nfs/dbraw/zinc/53/08/57/609530857.db2.gz YVYBNFHUXPGWRG-VIFPVBQESA-N -1 3 380.786 3.998 20 0 GHADHM CCCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000825338893 609532696 /nfs/dbraw/zinc/53/26/96/609532696.db2.gz JHNRILUOTSBNBQ-UHFFFAOYSA-N -1 3 388.859 3.633 20 0 GHADHM CCCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000825338893 609532697 /nfs/dbraw/zinc/53/26/97/609532697.db2.gz JHNRILUOTSBNBQ-UHFFFAOYSA-N -1 3 388.859 3.633 20 0 GHADHM COc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)c(OC2CCCC2)c1 ZINC000826204662 609568561 /nfs/dbraw/zinc/56/85/61/609568561.db2.gz UUFGNRBXXQZOMM-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM COc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000826204662 609568563 /nfs/dbraw/zinc/56/85/63/609568563.db2.gz UUFGNRBXXQZOMM-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H]2CC(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000826237472 609585768 /nfs/dbraw/zinc/58/57/68/609585768.db2.gz AZGFYJIHAMUMTQ-NSHDSACASA-N -1 3 388.884 3.527 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H]2CC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000826237472 609585769 /nfs/dbraw/zinc/58/57/69/609585769.db2.gz AZGFYJIHAMUMTQ-NSHDSACASA-N -1 3 388.884 3.527 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826429250 609609903 /nfs/dbraw/zinc/60/99/03/609609903.db2.gz YAOQQZZUJRFPOJ-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826429250 609609905 /nfs/dbraw/zinc/60/99/05/609609905.db2.gz YAOQQZZUJRFPOJ-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824716048 609632186 /nfs/dbraw/zinc/63/21/86/609632186.db2.gz WGOSFPMZUAIKMS-VFZGTOFNSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824716048 609632188 /nfs/dbraw/zinc/63/21/88/609632188.db2.gz WGOSFPMZUAIKMS-VFZGTOFNSA-N -1 3 393.230 3.511 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@@H](c2ccco2)C1 ZINC000683484417 837391704 /nfs/dbraw/zinc/39/17/04/837391704.db2.gz UKPIZQQXDHGAMO-LLVKDONJSA-N -1 3 392.333 3.649 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000176168647 837516310 /nfs/dbraw/zinc/51/63/10/837516310.db2.gz IMZXWMFRNXVVDI-UHFFFAOYSA-N -1 3 383.467 3.987 20 0 GHADHM COc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1OCCC(C)C ZINC000636317900 837612105 /nfs/dbraw/zinc/61/21/05/837612105.db2.gz KWKHWLWWDUQLEP-UHFFFAOYSA-N -1 3 399.491 3.813 20 0 GHADHM C[C@@](CO)(NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000616812262 837705234 /nfs/dbraw/zinc/70/52/34/837705234.db2.gz DTOGBFYGIRNERH-IBGZPJMESA-N -1 3 399.384 3.897 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000547617646 834376882 /nfs/dbraw/zinc/37/68/82/834376882.db2.gz VFZCJWVQTUHUEF-NSISKUIASA-N -1 3 389.455 3.760 20 0 GHADHM Cc1cc(=NC(=O)c2cc3c(C(F)F)nn(C)c3s2)[n-]n1-c1ccccc1 ZINC000471103083 834399019 /nfs/dbraw/zinc/39/90/19/834399019.db2.gz DUPAFMYHIRTBRB-UHFFFAOYSA-N -1 3 387.415 3.741 20 0 GHADHM COc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(OCC(C)C)c1 ZINC000784905683 834522524 /nfs/dbraw/zinc/52/25/24/834522524.db2.gz QYIAJXNNBMGSNE-UHFFFAOYSA-N -1 3 398.415 3.843 20 0 GHADHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1coc(CNC(=O)OC(C)(C)C)c1 ZINC000187235102 834683890 /nfs/dbraw/zinc/68/38/90/834683890.db2.gz INZJMSITOLJPBL-HNNXBMFYSA-N -1 3 394.431 3.681 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](c1cccnc1)C(C)C ZINC000472326169 834886820 /nfs/dbraw/zinc/88/68/20/834886820.db2.gz JGPZNMMHBPMQIS-KRWDZBQOSA-N -1 3 376.453 3.993 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135549179 834895539 /nfs/dbraw/zinc/89/55/39/834895539.db2.gz XVRZSBHFPDRKAN-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135549179 834895552 /nfs/dbraw/zinc/89/55/52/834895552.db2.gz XVRZSBHFPDRKAN-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000472299179 834919641 /nfs/dbraw/zinc/91/96/41/834919641.db2.gz KBXPAGZHZZZVGX-DYVFJYSZSA-N -1 3 383.485 4.000 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1F ZINC000579820346 835084446 /nfs/dbraw/zinc/08/44/46/835084446.db2.gz AQUUSLLKLKYJDM-SECBINFHSA-N -1 3 385.208 3.993 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c(C)c1F ZINC000500795776 844018759 /nfs/dbraw/zinc/01/87/59/844018759.db2.gz OXXVDQRULRGPDO-UHFFFAOYSA-N -1 3 386.876 3.659 20 0 GHADHM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1cnc(-c2ccccc2)nc1 ZINC000066122437 835172421 /nfs/dbraw/zinc/17/24/21/835172421.db2.gz XXHDMIALIBICSX-UHFFFAOYSA-N -1 3 391.500 3.898 20 0 GHADHM O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cc([O-])ccc1Cl ZINC000685583955 835192218 /nfs/dbraw/zinc/19/22/18/835192218.db2.gz BIHJDFGGDYLAIK-UHFFFAOYSA-N -1 3 383.835 3.683 20 0 GHADHM Cc1ccnc(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2)n1 ZINC000433342330 844028858 /nfs/dbraw/zinc/02/88/58/844028858.db2.gz KQPHOEYODDPJQT-UHFFFAOYSA-N -1 3 388.402 3.993 20 0 GHADHM Cc1cc(NC(=O)NCc2ncccc2[O-])n(-c2cccc(C(F)(F)F)c2)n1 ZINC000471179154 835465402 /nfs/dbraw/zinc/46/54/02/835465402.db2.gz RBQKPXNRSSJMPD-UHFFFAOYSA-N -1 3 391.353 3.622 20 0 GHADHM O=C(COc1ccc(F)c(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000151516903 835487845 /nfs/dbraw/zinc/48/78/45/835487845.db2.gz NZNCNRBATFLWIL-UHFFFAOYSA-N -1 3 388.620 3.642 20 0 GHADHM COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1NC(=O)C1CCCCC1 ZINC000274811243 835575722 /nfs/dbraw/zinc/57/57/22/835575722.db2.gz VDTWNZQMVGTOQQ-GOSISDBHSA-N -1 3 391.468 3.794 20 0 GHADHM COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1NC(=O)C1CCCCC1 ZINC000274811243 835575737 /nfs/dbraw/zinc/57/57/37/835575737.db2.gz VDTWNZQMVGTOQQ-GOSISDBHSA-N -1 3 391.468 3.794 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)cc1F ZINC000429952677 844078680 /nfs/dbraw/zinc/07/86/80/844078680.db2.gz WDYLAWLPYSKLDB-SECBINFHSA-N -1 3 395.207 3.680 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)cc1F ZINC000429952678 844079007 /nfs/dbraw/zinc/07/90/07/844079007.db2.gz WDYLAWLPYSKLDB-VIFPVBQESA-N -1 3 395.207 3.680 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CCOCC1 ZINC000509867605 844081688 /nfs/dbraw/zinc/08/16/88/844081688.db2.gz QTHDTXSQIBJNDG-CYBMUJFWSA-N -1 3 385.835 3.842 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccn3Cc3cccs3)nc21 ZINC000179777431 835804908 /nfs/dbraw/zinc/80/49/08/835804908.db2.gz LTHSLUMXQWHSPN-UHFFFAOYSA-N -1 3 380.429 3.513 20 0 GHADHM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725825136 835887277 /nfs/dbraw/zinc/88/72/77/835887277.db2.gz UDKYKSWKFLAXQP-SECBINFHSA-N -1 3 379.696 3.951 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000548477610 844108533 /nfs/dbraw/zinc/10/85/33/844108533.db2.gz YGZQJZJYHSDDBI-UHFFFAOYSA-N -1 3 384.501 3.739 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511337336 836080715 /nfs/dbraw/zinc/08/07/15/836080715.db2.gz IFEDXJURKSOMIX-UHFFFAOYSA-N -1 3 397.232 3.734 20 0 GHADHM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1F ZINC000513035224 844133370 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20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CCOc4ccccc43)c2)n1 ZINC000117614192 836516048 /nfs/dbraw/zinc/51/60/48/836516048.db2.gz LGEXMUQWJHDWIY-HNNXBMFYSA-N -1 3 389.455 3.894 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cscc1Br ZINC000570233714 836560893 /nfs/dbraw/zinc/56/08/93/836560893.db2.gz ZQOSCMWDBUDKOF-UHFFFAOYSA-N -1 3 391.084 3.909 20 0 GHADHM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1NC(=O)CN1CCCCC1 ZINC000175208107 836716044 /nfs/dbraw/zinc/71/60/44/836716044.db2.gz BVHRZZWPWPAAKS-UHFFFAOYSA-N -1 3 385.439 3.516 20 0 GHADHM O=C([O-])c1cn(C2CCN(Cc3ccccc3Oc3ccccc3)CC2)nn1 ZINC000576293201 844202585 /nfs/dbraw/zinc/20/25/85/844202585.db2.gz LRDRDUPSXCWCNB-UHFFFAOYSA-N -1 3 378.432 3.606 20 0 GHADHM C/C(=C\C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1OC(F)F ZINC000177582494 836823778 /nfs/dbraw/zinc/82/37/78/836823778.db2.gz CCLHJIDBXNLOGB-VAWYXSNFSA-N -1 3 396.415 3.702 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1ccccc1C ZINC000685901933 836932320 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O=S(=O)([N-]C[C@H]1CCCC12CC2)c1c(Cl)cccc1Br ZINC000706201694 837983312 /nfs/dbraw/zinc/98/33/12/837983312.db2.gz MLZKDWDIMHJSRT-SNVBAGLBSA-N -1 3 378.719 3.961 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000121200095 838005997 /nfs/dbraw/zinc/00/59/97/838005997.db2.gz DOBGDPYEDBSDCT-UHFFFAOYSA-N -1 3 378.432 3.638 20 0 GHADHM O=c1[n-]c(CN2CCSC[C@@H]2c2ccccc2)nc2c3ccccc3oc21 ZINC000115560565 838022475 /nfs/dbraw/zinc/02/24/75/838022475.db2.gz NYJZZWACHLXJFJ-MRXNPFEDSA-N -1 3 377.469 3.959 20 0 GHADHM CN(C)c1cccc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000549355766 838082008 /nfs/dbraw/zinc/08/20/08/838082008.db2.gz AWBSBPQCMSZOJR-UHFFFAOYSA-N -1 3 375.432 3.855 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c([O-])c1 ZINC000728261962 838100851 /nfs/dbraw/zinc/10/08/51/838100851.db2.gz YCGSVCJWQLAAJS-UHFFFAOYSA-N -1 3 386.448 3.856 20 0 GHADHM O=c1[n-]nc([C@H]2CCCN([C@@H]3CCCc4ccc(Br)cc43)C2)o1 ZINC000408457809 844302694 /nfs/dbraw/zinc/30/26/94/844302694.db2.gz QOZAZWJKTUPXGV-SWLSCSKDSA-N -1 3 378.270 3.795 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000467087995 844321243 /nfs/dbraw/zinc/32/12/43/844321243.db2.gz COJGWNMGTBTRGO-CYBMUJFWSA-N -1 3 388.489 3.894 20 0 GHADHM O=C(C[C@H]1COCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000623020487 838341798 /nfs/dbraw/zinc/34/17/98/838341798.db2.gz LDLKEPXJBQYKKW-INIZCTEOSA-N -1 3 393.361 3.525 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2)cc1)c1cccnc1Cl ZINC000311579667 838521632 /nfs/dbraw/zinc/52/16/32/838521632.db2.gz CJPDZEQHDXIBLH-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c1[O-] ZINC000179996487 838553342 /nfs/dbraw/zinc/55/33/42/838553342.db2.gz WQZCGUFFPJDBFY-UHFFFAOYSA-N -1 3 375.428 3.664 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1cnc(-c3ccccn3)s1)OCCO2 ZINC000589862191 838562814 /nfs/dbraw/zinc/56/28/14/838562814.db2.gz PRRXZSKJTBKCKE-UHFFFAOYSA-N -1 3 385.470 3.951 20 0 GHADHM CC1(C)CN(CC[C@@H](C(=O)[O-])c2ccccc2)C[C@H](COc2ccccc2)O1 ZINC000659796017 838682172 /nfs/dbraw/zinc/68/21/72/838682172.db2.gz YOOLJGSEOBXXJN-NHCUHLMSSA-N -1 3 383.488 3.803 20 0 GHADHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110229361 844356139 /nfs/dbraw/zinc/35/61/39/844356139.db2.gz GVPUIUISDQQATA-HXUWFJFHSA-N -1 3 394.515 3.752 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)sc2C)c1 ZINC000122464571 838736126 /nfs/dbraw/zinc/73/61/26/838736126.db2.gz ARJHBCTZGSUKCO-UHFFFAOYSA-N -1 3 380.260 3.768 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cccs1 ZINC000182894765 838850001 /nfs/dbraw/zinc/85/00/01/838850001.db2.gz UQJXXZQZUNIIEN-LJQANCHMSA-N -1 3 380.469 3.631 20 0 GHADHM CSCCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183860471 838860889 /nfs/dbraw/zinc/86/08/89/838860889.db2.gz WJFMZPFSYGVIES-LJQANCHMSA-N -1 3 386.517 3.513 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccn1 ZINC000182946397 838868197 /nfs/dbraw/zinc/86/81/97/838868197.db2.gz WYGDQLWVEKQSGW-IIBYNOLFSA-N -1 3 389.455 3.526 20 0 GHADHM Cc1cnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000182945868 838868553 /nfs/dbraw/zinc/86/85/53/838868553.db2.gz SLYAMFDYWYVSAC-KRWDZBQOSA-N -1 3 381.457 3.657 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1F ZINC000046120182 838921353 /nfs/dbraw/zinc/92/13/53/838921353.db2.gz GVHHEWMQLDKBHY-UHFFFAOYSA-N -1 3 378.469 3.888 20 0 GHADHM CN(CCO)Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1Cl ZINC000614384036 844380396 /nfs/dbraw/zinc/38/03/96/844380396.db2.gz HTOPGICLAYRYIH-UHFFFAOYSA-N -1 3 394.874 3.570 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cccc2n[n-]nc21 ZINC000188878718 838981793 /nfs/dbraw/zinc/98/17/93/838981793.db2.gz CENMERMNGWCYSH-ZDUSSCGKSA-N -1 3 386.839 3.812 20 0 GHADHM CC[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000580202026 839046758 /nfs/dbraw/zinc/04/67/58/839046758.db2.gz OAJUDODJPYKUBJ-LRXVAGHRSA-N -1 3 394.515 3.905 20 0 GHADHM C[S@@](=O)c1nc(Cl)c(Br)c(Nc2cccc([O-])c2Cl)n1 ZINC001210855464 839134375 /nfs/dbraw/zinc/13/43/75/839134375.db2.gz OSVWRKUIUAENBY-HXUWFJFHSA-N -1 3 397.081 3.733 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000580264376 839145855 /nfs/dbraw/zinc/14/58/55/839145855.db2.gz GGJCHLOMNLBZSI-RDTXWAMCSA-N -1 3 384.480 3.827 20 0 GHADHM CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000025424534 844424800 /nfs/dbraw/zinc/42/48/00/844424800.db2.gz GOSLHZSXBFLVBS-HNNXBMFYSA-N -1 3 390.505 3.723 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000416502200 839327661 /nfs/dbraw/zinc/32/76/61/839327661.db2.gz KXYZICPGZXPKAH-JTQLQIEISA-N -1 3 396.734 3.586 20 0 GHADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000416536626 839394869 /nfs/dbraw/zinc/39/48/69/839394869.db2.gz MGHZYDYFQMVQFC-NSHDSACASA-N -1 3 389.340 3.595 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCO[C@H](CC)c3ccccc3)nc2)n1 ZINC000651392064 839401454 /nfs/dbraw/zinc/40/14/54/839401454.db2.gz FCIAUIREVDIUST-LJQANCHMSA-N -1 3 378.476 3.808 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCO[C@@H](CC)c3ccccc3)nc2)n1 ZINC000651392063 839401607 /nfs/dbraw/zinc/40/16/07/839401607.db2.gz FCIAUIREVDIUST-IBGZPJMESA-N -1 3 378.476 3.808 20 0 GHADHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC(C)(C)C1 ZINC000458191745 844433246 /nfs/dbraw/zinc/43/32/46/844433246.db2.gz SORORPLAFXAXAT-FQEVSTJZSA-N -1 3 380.488 3.900 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000613671103 839426385 /nfs/dbraw/zinc/42/63/85/839426385.db2.gz NYIDPYCBJDPEBH-XJKSGUPXSA-N -1 3 393.484 3.653 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000416593093 839468459 /nfs/dbraw/zinc/46/84/59/839468459.db2.gz NHPWHHIZOUEWQX-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000683926685 839495026 /nfs/dbraw/zinc/49/50/26/839495026.db2.gz ZKBPENNBBHGESU-LJQANCHMSA-N -1 3 388.533 3.997 20 0 GHADHM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000055632590 840215359 /nfs/dbraw/zinc/21/53/59/840215359.db2.gz ZPZLODFRYDJVFL-UHFFFAOYSA-N -1 3 393.505 3.685 20 0 GHADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cn(-c2ccccc2Cl)nn1 ZINC000255862562 840368557 /nfs/dbraw/zinc/36/85/57/840368557.db2.gz ZMSLTQORPQCQSD-FPLPWBNLSA-N -1 3 398.835 3.788 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)CCOc2ccc(Br)cc2)c1 ZINC000500421861 840452125 /nfs/dbraw/zinc/45/21/25/840452125.db2.gz OZZPXEOLAYTVJP-UHFFFAOYSA-N -1 3 378.266 3.868 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@@H](C)CC(C)(C)C3)nc(=O)c2c1C ZINC000544117219 840520787 /nfs/dbraw/zinc/52/07/87/840520787.db2.gz OCNCMOXNWLEHRC-WCQYABFASA-N -1 3 391.537 3.899 20 0 GHADHM CC(C)(C)Oc1cccc(C[S@@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417188422 840566046 /nfs/dbraw/zinc/56/60/46/840566046.db2.gz YPZYWJMEXVNZQG-MUUNZHRXSA-N -1 3 397.500 3.870 20 0 GHADHM O=c1[n-]c(NC[C@H]2CN(Cc3ccc(F)cc3)CCO2)c(Cl)cc1Cl ZINC001167441794 840581525 /nfs/dbraw/zinc/58/15/25/840581525.db2.gz VGNQZSQLCOJIQJ-ZDUSSCGKSA-N -1 3 386.254 3.546 20 0 GHADHM CCOc1cc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)cc(Cl)c1[O-] ZINC000581026417 840606648 /nfs/dbraw/zinc/60/66/48/840606648.db2.gz BYTZQMTYHCSUES-QGZVFWFLSA-N -1 3 395.286 3.771 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccccc3-c3ccno3)cc21 ZINC000432080589 840643679 /nfs/dbraw/zinc/64/36/79/840643679.db2.gz PJMRTKJOWUDDKU-UHFFFAOYSA-N -1 3 388.832 3.925 20 0 GHADHM COCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000549466484 840648036 /nfs/dbraw/zinc/64/80/36/840648036.db2.gz LIHZDHQWVKLYMI-UHFFFAOYSA-N -1 3 385.835 3.844 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000584720350 840665402 /nfs/dbraw/zinc/66/54/02/840665402.db2.gz ZSCVJVSDLOLQJE-WVBUVRCRSA-N -1 3 398.478 3.559 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000581115595 840738948 /nfs/dbraw/zinc/73/89/48/840738948.db2.gz HYLGKZRHYGBFFO-DOTOQJQBSA-N -1 3 387.277 3.551 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(COc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000558143058 840811346 /nfs/dbraw/zinc/81/13/46/840811346.db2.gz YEYSHFHCEKUULP-UHFFFAOYSA-N -1 3 390.443 3.700 20 0 GHADHM CCN(Cc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1)C1CC1 ZINC000511834733 840907192 /nfs/dbraw/zinc/90/71/92/840907192.db2.gz LDHVMYHZIZXQDG-UHFFFAOYSA-N -1 3 378.501 3.864 20 0 GHADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1OCC1CC1)Oc1ccc(F)cc1 ZINC000417555760 840999216 /nfs/dbraw/zinc/99/92/16/840999216.db2.gz FYWURBOPSUZLGQ-LJQANCHMSA-N -1 3 393.842 3.890 20 0 GHADHM Cc1ccccc1C[C@H](CNCc1c(F)cccc1Br)C(=O)[O-] ZINC000417564837 841014581 /nfs/dbraw/zinc/01/45/81/841014581.db2.gz LDTXAPVOPOEUEN-CQSZACIVSA-N -1 3 380.257 3.930 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(Cl)cc3)c2)[n-]1 ZINC000432910431 844599939 /nfs/dbraw/zinc/59/99/39/844599939.db2.gz MWICJEGOBLSFKS-UHFFFAOYSA-N -1 3 399.838 3.624 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(Cl)cc3)c2)n[n-]1 ZINC000432910431 844599948 /nfs/dbraw/zinc/59/99/48/844599948.db2.gz MWICJEGOBLSFKS-UHFFFAOYSA-N -1 3 399.838 3.624 20 0 GHADHM O=C([O-])C1(CNCc2csc(-c3cccc(Br)c3)n2)CCC1 ZINC000417624250 841076328 /nfs/dbraw/zinc/07/63/28/841076328.db2.gz QKMJNMQRNHYLRG-UHFFFAOYSA-N -1 3 381.295 3.917 20 0 GHADHM COc1cccc(C[C@@H](CNCc2csc(-c3cccs3)n2)C(=O)[O-])c1 ZINC000417649988 841084582 /nfs/dbraw/zinc/08/45/82/841084582.db2.gz MKEFXWLTTKNYGB-AWEZNQCLSA-N -1 3 388.514 3.913 20 0 GHADHM C[C@H](CC1CC1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430559871 841087844 /nfs/dbraw/zinc/08/78/44/841087844.db2.gz FNBMUCCZOLAKAK-MRVPVSSYSA-N -1 3 383.673 3.862 20 0 GHADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1OCC1CC1)Oc1ccccc1 ZINC000417639549 841090073 /nfs/dbraw/zinc/09/00/73/841090073.db2.gz MMDMIJPSNIRNIT-LJQANCHMSA-N -1 3 375.852 3.751 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C)C1CCCCC1 ZINC000656626274 841607503 /nfs/dbraw/zinc/60/75/03/841607503.db2.gz NARZLINZYQUZAG-SFHVURJKSA-N -1 3 378.494 3.987 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2CC(C)(C)C)cc1Cl ZINC000651807027 841626311 /nfs/dbraw/zinc/62/63/11/841626311.db2.gz IGQSLZQIMSGVIM-GXFFZTMASA-N -1 3 376.881 3.541 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c1Cl ZINC000651819810 841655334 /nfs/dbraw/zinc/65/53/34/841655334.db2.gz NPKDOOYEMPZAKU-HNNXBMFYSA-N -1 3 378.321 3.785 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCCC[C@@H]12 ZINC000656763135 841897111 /nfs/dbraw/zinc/89/71/11/841897111.db2.gz DURBZHDLDGSDAF-GZBFAFLISA-N -1 3 396.281 3.643 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)[C@H]2CCCC[C@@H]12 ZINC000656762667 841899222 /nfs/dbraw/zinc/89/92/22/841899222.db2.gz BMAHFDCSNZPLKG-GUTXKFCHSA-N -1 3 396.281 3.643 20 0 GHADHM FC(F)(F)c1cc(Br)cc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000473115819 841912270 /nfs/dbraw/zinc/91/22/70/841912270.db2.gz CVBZDZHEQPZOTJ-UHFFFAOYSA-N -1 3 390.207 3.540 20 0 GHADHM COc1cc(/C=C/c2nc(N(C)C)ncc2Br)cc(Cl)c1[O-] ZINC000549621288 842062420 /nfs/dbraw/zinc/06/24/20/842062420.db2.gz PPVYBCOIMLAIGJ-SNAWJCMRSA-N -1 3 384.661 3.843 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000759948466 842080032 /nfs/dbraw/zinc/08/00/32/842080032.db2.gz MGJWPFTUVHTQDH-NSHDSACASA-N -1 3 392.297 3.738 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1)c1ccc(C)o1 ZINC000655530243 842151682 /nfs/dbraw/zinc/15/16/82/842151682.db2.gz IAFMBBUHSHAHLW-MRXNPFEDSA-N -1 3 392.502 3.686 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000730810081 861297160 /nfs/dbraw/zinc/29/71/60/861297160.db2.gz XLZBYQIOVKCJFI-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000730809794 861297904 /nfs/dbraw/zinc/29/79/04/861297904.db2.gz YHLYDGTYAXCDBD-UHFFFAOYSA-N -1 3 392.290 3.766 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1F ZINC001211675928 842341268 /nfs/dbraw/zinc/34/12/68/842341268.db2.gz VPFMBDNOQFKURB-QPUJVOFHSA-N -1 3 379.762 3.731 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000178064315 861302235 /nfs/dbraw/zinc/30/22/35/861302235.db2.gz ARLLQVTXJGTTCH-XJKSGUPXSA-N -1 3 395.322 3.695 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000135305468 842432445 /nfs/dbraw/zinc/43/24/45/842432445.db2.gz CFDBQTOCJPHVBX-LBPRGKRZSA-N -1 3 380.441 3.762 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)cc1[O-] ZINC001167847123 842559044 /nfs/dbraw/zinc/55/90/44/842559044.db2.gz FXEASQZLIOCRFJ-UHFFFAOYSA-N -1 3 395.436 3.680 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)cc3Cl)cccc21 ZINC000432459683 842564119 /nfs/dbraw/zinc/56/41/19/842564119.db2.gz JUPZWOJOARQOHL-OAHLLOKOSA-N -1 3 384.860 3.665 20 0 GHADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000652483009 842607914 /nfs/dbraw/zinc/60/79/14/842607914.db2.gz ZCPUGRCKPABEMH-QGZVFWFLSA-N -1 3 379.254 3.791 20 0 GHADHM O=C([N-]C1(c2nccs2)CCCC1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001126192889 842617454 /nfs/dbraw/zinc/61/74/54/842617454.db2.gz SDMLHFYPJBNFJH-UHFFFAOYSA-N -1 3 389.431 3.537 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027685443 842637467 /nfs/dbraw/zinc/63/74/67/842637467.db2.gz OAOOLCCHKXUETA-GFCCVEGCSA-N -1 3 385.876 3.830 20 0 GHADHM COc1cc(C)cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000279194317 842699122 /nfs/dbraw/zinc/69/91/22/842699122.db2.gz KNMDYGBBTYCSOG-UHFFFAOYSA-N -1 3 392.459 3.749 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000050534831 842702258 /nfs/dbraw/zinc/70/22/58/842702258.db2.gz IQXZBRAJHZWMKC-UHFFFAOYSA-N -1 3 384.473 3.627 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512175210 842756077 /nfs/dbraw/zinc/75/60/77/842756077.db2.gz MVJRAYWXZLCASX-VIFPVBQESA-N -1 3 391.258 3.740 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc2C1 ZINC000028059823 842797377 /nfs/dbraw/zinc/79/73/77/842797377.db2.gz KJKJZAGTZXUNHQ-UHFFFAOYSA-N -1 3 384.954 3.517 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)C3)cc1 ZINC000663256606 842925751 /nfs/dbraw/zinc/92/57/51/842925751.db2.gz XDCPUBRKSBLSCO-CQSZACIVSA-N -1 3 388.489 3.527 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC000663261017 842943064 /nfs/dbraw/zinc/94/30/64/842943064.db2.gz HEBPGPVRCIKEGQ-MRXNPFEDSA-N -1 3 396.415 3.622 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000348688993 861371512 /nfs/dbraw/zinc/37/15/12/861371512.db2.gz JHPJCMXMDOXMQE-LLVKDONJSA-N -1 3 387.264 3.529 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(F)c3C)n2)cc1 ZINC000471875925 843161367 /nfs/dbraw/zinc/16/13/67/843161367.db2.gz WHRLUKCNTOXPDR-CYBMUJFWSA-N -1 3 389.452 3.786 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3C)n2)cc1F ZINC000471880600 843206029 /nfs/dbraw/zinc/20/60/29/843206029.db2.gz ASTAJBQZWDZTJC-ZDUSSCGKSA-N -1 3 375.425 3.532 20 0 GHADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000276793017 843243955 /nfs/dbraw/zinc/24/39/55/843243955.db2.gz UKEJWTFAIYVNFY-UHFFFAOYSA-N -1 3 392.419 3.830 20 0 GHADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606904874 843281094 /nfs/dbraw/zinc/28/10/94/843281094.db2.gz WJBKVKKWXRMOOF-NSHDSACASA-N -1 3 384.851 3.512 20 0 GHADHM COC(=O)c1sc2[n-]c(CN([C@@H](C)c3ccccc3)C3CC3)nc(=O)c2c1C ZINC000512295111 843338468 /nfs/dbraw/zinc/33/84/68/843338468.db2.gz RQIQRVKFMZWOJA-ZDUSSCGKSA-N -1 3 397.500 3.805 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000091811254 843420695 /nfs/dbraw/zinc/42/06/95/843420695.db2.gz XWPFFCIFYODGAD-UHFFFAOYSA-N -1 3 396.821 3.605 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@](C)(CC)C3)nc(=O)c2c1C ZINC000468129449 843421586 /nfs/dbraw/zinc/42/15/86/843421586.db2.gz BSPBONDAHQIFHH-CWTRNNRKSA-N -1 3 377.510 3.653 20 0 GHADHM C[C@H](CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)CC(C)(C)C ZINC001211525756 843438092 /nfs/dbraw/zinc/43/80/92/843438092.db2.gz CZEBWLGLZSEART-ZLOXQWCVSA-N -1 3 378.535 3.579 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000785344670 843446923 /nfs/dbraw/zinc/44/69/23/843446923.db2.gz VAMYGFIZYLBPDG-CMDGGOBGSA-N -1 3 393.827 3.619 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000432681639 843451016 /nfs/dbraw/zinc/45/10/16/843451016.db2.gz OEUOXLKHXLFYIK-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000432681639 843451019 /nfs/dbraw/zinc/45/10/19/843451019.db2.gz OEUOXLKHXLFYIK-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM CC(C)(C)c1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ncn1 ZINC000663393214 843477171 /nfs/dbraw/zinc/47/71/71/843477171.db2.gz ATEYSDXWTWLJHV-UHFFFAOYSA-N -1 3 388.899 3.988 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000511979928 843518599 /nfs/dbraw/zinc/51/85/99/843518599.db2.gz AFSYSPJDEIRTSY-NSHDSACASA-N -1 3 394.265 3.989 20 0 GHADHM COc1ccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1Br ZINC000512361350 843557594 /nfs/dbraw/zinc/55/75/94/843557594.db2.gz AMUQPQMSMAHTIN-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM CCOc1c(Cl)cc(-c2nc3cc(C(=O)OC)ccc3c(=O)[n-]2)cc1OC ZINC000603919083 843578009 /nfs/dbraw/zinc/57/80/09/843578009.db2.gz QMQUVESLECWHDH-UHFFFAOYSA-N -1 3 388.807 3.850 20 0 GHADHM CCC1(CC)CCC([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC001211719577 843658874 /nfs/dbraw/zinc/65/88/74/843658874.db2.gz NDSRSZNZJHIYAE-UHFFFAOYSA-N -1 3 389.539 3.571 20 0 GHADHM CO[C@@H](C)c1nsc(=NCC2CCN(Cc3ccccc3Cl)CC2)[n-]1 ZINC000509731784 843667571 /nfs/dbraw/zinc/66/75/71/843667571.db2.gz QQXHTMOIYGELRA-ZDUSSCGKSA-N -1 3 380.945 3.645 20 0 GHADHM CO[C@@H](C)c1nc(=NCC2CCN(Cc3ccccc3Cl)CC2)s[n-]1 ZINC000509731784 843667579 /nfs/dbraw/zinc/66/75/79/843667579.db2.gz QQXHTMOIYGELRA-ZDUSSCGKSA-N -1 3 380.945 3.645 20 0 GHADHM CO[C@H](C)c1nsc(=NCC2CCN(Cc3ccccc3Cl)CC2)[n-]1 ZINC000509731780 843672206 /nfs/dbraw/zinc/67/22/06/843672206.db2.gz QQXHTMOIYGELRA-CYBMUJFWSA-N -1 3 380.945 3.645 20 0 GHADHM CO[C@H](C)c1nc(=NCC2CCN(Cc3ccccc3Cl)CC2)s[n-]1 ZINC000509731780 843672209 /nfs/dbraw/zinc/67/22/09/843672209.db2.gz QQXHTMOIYGELRA-CYBMUJFWSA-N -1 3 380.945 3.645 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)nc1 ZINC000481457087 861443991 /nfs/dbraw/zinc/44/39/91/861443991.db2.gz VNNMOHOGNYRIMS-UHFFFAOYSA-N -1 3 379.254 3.657 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000610719315 843706969 /nfs/dbraw/zinc/70/69/69/843706969.db2.gz GSSSPYCAILFMAV-HXUWFJFHSA-N -1 3 397.519 3.694 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000500597669 843712118 /nfs/dbraw/zinc/71/21/18/843712118.db2.gz CIAGALNXYKJLNX-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1)c1cc(Cl)ccc1Br ZINC000429822004 843777135 /nfs/dbraw/zinc/77/71/35/843777135.db2.gz PQPFSYXZPJBVSR-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1Cl ZINC000431177627 843777878 /nfs/dbraw/zinc/77/78/78/843777878.db2.gz HYYSLQTYWFOYTO-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1Cl ZINC000431182890 843823726 /nfs/dbraw/zinc/82/37/26/843823726.db2.gz OBZNUZNMAJTIRF-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236674451 843867774 /nfs/dbraw/zinc/86/77/74/843867774.db2.gz ADDAKJAZEPBZDA-FQEVSTJZSA-N -1 3 380.488 3.588 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccc(Cl)cc2)[nH][n-]1 ZINC000512854280 843891457 /nfs/dbraw/zinc/89/14/57/843891457.db2.gz JCGUKVVCQLBNPN-UHFFFAOYSA-N -1 3 376.243 3.995 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC[C@]3(C)CC3(F)F)s2)cs1 ZINC000657160359 844748901 /nfs/dbraw/zinc/74/89/01/844748901.db2.gz PWEITZRHAGWNGQ-CYBMUJFWSA-N -1 3 378.491 3.894 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000481501394 861527316 /nfs/dbraw/zinc/52/73/16/861527316.db2.gz SMKAKFFVNBFKJN-ZDUSSCGKSA-N -1 3 396.242 3.592 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000429998921 845100429 /nfs/dbraw/zinc/10/04/29/845100429.db2.gz GSFCEXWLHWULSO-LSDHHAIUSA-N -1 3 387.482 3.522 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](c3ccccc3)n3cccn3)c2)n1 ZINC000513236698 845123048 /nfs/dbraw/zinc/12/30/48/845123048.db2.gz ZYPBXDJGWGFJFJ-OAQYLSRUSA-N -1 3 399.454 3.836 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)c([O-])c1 ZINC000599711925 861534790 /nfs/dbraw/zinc/53/47/90/861534790.db2.gz GGYFDRNYCKLDNT-MRXNPFEDSA-N -1 3 386.448 3.591 20 0 GHADHM CC(C)c1nc([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)no1 ZINC000329494382 861539073 /nfs/dbraw/zinc/53/90/73/861539073.db2.gz IJYGSTPOIKTPTI-ZDUSSCGKSA-N -1 3 379.420 3.925 20 0 GHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccnc1 ZINC000433735001 845246545 /nfs/dbraw/zinc/24/65/45/845246545.db2.gz HEMJXLHJMHIOPI-AWEZNQCLSA-N -1 3 390.402 3.958 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429941314 845254745 /nfs/dbraw/zinc/25/47/45/845254745.db2.gz BNBDTLUVOZBNAS-UHFFFAOYSA-N -1 3 393.672 3.836 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262209362 845273613 /nfs/dbraw/zinc/27/36/13/845273613.db2.gz TWYFHAVJGYBWCH-SAHWJRBASA-N -1 3 394.471 3.993 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000513360525 845280654 /nfs/dbraw/zinc/28/06/54/845280654.db2.gz BTZWTBRWIGMBBA-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000277198025 845285017 /nfs/dbraw/zinc/28/50/17/845285017.db2.gz GHTJKAFHQOHHCY-ZBFHGGJFSA-N -1 3 380.851 3.573 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429866049 845437933 /nfs/dbraw/zinc/43/79/33/845437933.db2.gz JKZVAZZPSOMCRF-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000433124350 845453007 /nfs/dbraw/zinc/45/30/07/845453007.db2.gz BMMFFPVYEFUMOM-UHFFFAOYSA-N -1 3 398.765 3.924 20 0 GHADHM Cc1cccc(Cl)c1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001126370657 845454371 /nfs/dbraw/zinc/45/43/71/845454371.db2.gz UGZSLTTUASOWNX-UHFFFAOYSA-N -1 3 385.844 3.693 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)cc1 ZINC000513447674 845471802 /nfs/dbraw/zinc/47/18/02/845471802.db2.gz GZHCIKJIFYINKZ-UHFFFAOYSA-N -1 3 398.507 3.784 20 0 GHADHM Cc1cc([C@@H]2CCN(C(=O)NCc3ccc([O-])c(F)c3)C2)c(O)cc1Cl ZINC000664193158 845517381 /nfs/dbraw/zinc/51/73/81/845517381.db2.gz RETOBBOHNHWXBE-CYBMUJFWSA-N -1 3 378.831 3.898 20 0 GHADHM CCOc1ccc(OCC)c(NC(=S)N[N-]C(=O)c2cc(C)ccc2F)c1 ZINC000067193805 845551393 /nfs/dbraw/zinc/55/13/93/845551393.db2.gz IPEPLCZMTFBSRO-UHFFFAOYSA-N -1 3 391.468 3.563 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C(C)(C)O1 ZINC000429872240 845608767 /nfs/dbraw/zinc/60/87/67/845608767.db2.gz NLMODIITPPRCON-GFCCVEGCSA-N -1 3 396.734 3.727 20 0 GHADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000513537224 845611006 /nfs/dbraw/zinc/61/10/06/845611006.db2.gz VVZXJUZMKUUWLR-FZKQIMNGSA-N -1 3 393.443 3.584 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1c(Cl)cccc1Cl ZINC000431293324 845635222 /nfs/dbraw/zinc/63/52/22/845635222.db2.gz KEGQURLIQJRQBA-UHFFFAOYSA-N -1 3 388.272 3.633 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(F)ccc2Cl)cc1OC ZINC000431323427 845901280 /nfs/dbraw/zinc/90/12/80/845901280.db2.gz MPIDMOCSLFAIRW-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM Cc1sc(N=c2ncnc3[nH][n-]cc2-3)nc1-c1ccc(Br)cc1 ZINC000502712509 846371788 /nfs/dbraw/zinc/37/17/88/846371788.db2.gz PLPNTSXLRGEFCP-UHFFFAOYSA-N -1 3 387.266 3.664 20 0 GHADHM [O-]c1ccc(F)c(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1F ZINC000511078849 846409230 /nfs/dbraw/zinc/40/92/30/846409230.db2.gz CHDRRUBBHCODSD-NSHDSACASA-N -1 3 388.336 3.938 20 0 GHADHM CCc1sc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cc1C ZINC000421683423 846464131 /nfs/dbraw/zinc/46/41/31/846464131.db2.gz SVDHUERTLYCXSE-UHFFFAOYSA-N -1 3 396.232 3.814 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000501148802 846673715 /nfs/dbraw/zinc/67/37/15/846673715.db2.gz ZLMZDVLERMSGRK-UWVGGRQHSA-N -1 3 376.400 3.781 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccccc3)n2)n[nH]1 ZINC000052778776 846813598 /nfs/dbraw/zinc/81/35/98/846813598.db2.gz DOZFWXGMGXISCE-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1NC(=O)c1ccco1 ZINC000503177130 846876018 /nfs/dbraw/zinc/87/60/18/846876018.db2.gz CEAFAOGIPCQPFE-UHFFFAOYSA-N -1 3 379.351 3.503 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000158169146 847044152 /nfs/dbraw/zinc/04/41/52/847044152.db2.gz UNUNSOJELLMLAC-SKDRFNHKSA-N -1 3 397.415 3.697 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c(C)c1 ZINC000501810017 847192385 /nfs/dbraw/zinc/19/23/85/847192385.db2.gz XNXKSTDDOMVPBN-UHFFFAOYSA-N -1 3 391.493 3.724 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3C[C@@H](C(C)=O)C3(C)C)c2)n1 ZINC000273454723 847342904 /nfs/dbraw/zinc/34/29/04/847342904.db2.gz DHGLFANOGSJHFW-QAPCUYQASA-N -1 3 381.476 3.992 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1OC(F)F ZINC000420689883 847390808 /nfs/dbraw/zinc/39/08/08/847390808.db2.gz GRYJQXSKWHJVOH-SECBINFHSA-N -1 3 375.771 3.798 20 0 GHADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cnc(OCC2CC2)cn1 ZINC000582501836 847427520 /nfs/dbraw/zinc/42/75/20/847427520.db2.gz QMJDVFHHJYPHIM-UHFFFAOYSA-N -1 3 393.428 3.782 20 0 GHADHM Cc1ccc(-c2ccc(CN[C@H]3CCN([C@@H](C(=O)[O-])C(C)C)C3=O)s2)cc1 ZINC000414655536 847573822 /nfs/dbraw/zinc/57/38/22/847573822.db2.gz JSDIEVFRUAOAME-PKOBYXMFSA-N -1 3 386.517 3.523 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000502176314 847585499 /nfs/dbraw/zinc/58/54/99/847585499.db2.gz OGTKNGPADQCKKC-OAHLLOKOSA-N -1 3 385.894 3.618 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1ccccc1C(C)C)Cc1ccc([O-])c(F)c1 ZINC000421029018 847629941 /nfs/dbraw/zinc/62/99/41/847629941.db2.gz CCUSOZSMOBELBH-HNNXBMFYSA-N -1 3 388.439 3.808 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000503425797 847699667 /nfs/dbraw/zinc/69/96/67/847699667.db2.gz LZHKSNQXINEJNL-SJKOYZFVSA-N -1 3 395.912 3.624 20 0 GHADHM COCC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(C)o1 ZINC000481599864 861822908 /nfs/dbraw/zinc/82/29/08/861822908.db2.gz QGNDRFLXBCKKPF-KRWDZBQOSA-N -1 3 396.447 3.958 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(Br)c1 ZINC000513789955 847753802 /nfs/dbraw/zinc/75/38/02/847753802.db2.gz PWTFQVFEOUWRHW-UHFFFAOYSA-N -1 3 397.294 3.667 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1OC(F)F ZINC000502359128 847796379 /nfs/dbraw/zinc/79/63/79/847796379.db2.gz GUTPPDPLASPJLI-QMMMGPOBSA-N -1 3 381.322 3.745 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000503572384 847807058 /nfs/dbraw/zinc/80/70/58/847807058.db2.gz OJUPZVMQQVGBGV-SGWGQVFISA-N -1 3 399.516 3.551 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1OC(F)F)c1ccc(F)cc1F ZINC000466909443 848006592 /nfs/dbraw/zinc/00/65/92/848006592.db2.gz KCLOPSXIXOUJJL-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)c(C)c1 ZINC000728509734 848136923 /nfs/dbraw/zinc/13/69/23/848136923.db2.gz TXHAJHDUESQRGU-UHFFFAOYSA-N -1 3 394.518 3.887 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccn1 ZINC000179957933 861870386 /nfs/dbraw/zinc/87/03/86/861870386.db2.gz BAMYNHPUUYOGGV-AWEZNQCLSA-N -1 3 378.432 3.570 20 0 GHADHM COc1ccc(CN(C)CCOc2ccccc2C(=O)[O-])cc1OC(F)F ZINC000582765696 848328871 /nfs/dbraw/zinc/32/88/71/848328871.db2.gz WEADPYSNQPMFNL-UHFFFAOYSA-N -1 3 381.375 3.506 20 0 GHADHM C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000582991541 848833933 /nfs/dbraw/zinc/83/39/33/848833933.db2.gz URSIAVHXJGVDSG-LNLATYFQSA-N -1 3 390.241 3.770 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000178748926 848949038 /nfs/dbraw/zinc/94/90/38/848949038.db2.gz PDLZQMRVGLQUDC-GFCCVEGCSA-N -1 3 384.320 3.528 20 0 GHADHM COc1cc(-c2nc(CC(=O)Nc3c(C)cc(C)cc3C)no2)cc(OC)c1[O-] ZINC000278048635 848967179 /nfs/dbraw/zinc/96/71/79/848967179.db2.gz UDSUQJDVJQJMMD-UHFFFAOYSA-N -1 3 397.431 3.566 20 0 GHADHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000625453556 861967545 /nfs/dbraw/zinc/96/75/45/861967545.db2.gz OXKQTICKYWFHTO-HDJSIYSDSA-N -1 3 394.459 3.753 20 0 GHADHM COc1ccccc1[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccn1 ZINC000153875734 849085949 /nfs/dbraw/zinc/08/59/49/849085949.db2.gz VHQWJTFCVBPMDU-FQEVSTJZSA-N -1 3 381.407 3.524 20 0 GHADHM C[C@H](c1ncc(-c2ccccc2)o1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155257604 849488766 /nfs/dbraw/zinc/48/87/66/849488766.db2.gz OMMWLJSUJKMFQP-BLBHWQHRSA-N -1 3 397.378 3.866 20 0 GHADHM Cc1csc(Sc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)n1 ZINC000278185489 849548005 /nfs/dbraw/zinc/54/80/05/849548005.db2.gz PULNCUPXYQCUFN-LLVKDONJSA-N -1 3 387.408 3.980 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000673884309 862037946 /nfs/dbraw/zinc/03/79/46/862037946.db2.gz MUAFEFPFXJNCAV-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM Cn1cc([C@@H]([N-]C(=O)c2cc(C(F)(F)F)cnc2Cl)C(F)(F)F)cn1 ZINC000278226268 849751693 /nfs/dbraw/zinc/75/16/93/849751693.db2.gz FCLSNVSYWYKKIL-SECBINFHSA-N -1 3 386.683 3.521 20 0 GHADHM Cn1cc([C@H]([N-]C(=O)c2cc(C(F)(F)F)cnc2Cl)C(F)(F)F)cn1 ZINC000278226270 849751902 /nfs/dbraw/zinc/75/19/02/849751902.db2.gz FCLSNVSYWYKKIL-VIFPVBQESA-N -1 3 386.683 3.521 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000098122209 849888541 /nfs/dbraw/zinc/88/85/41/849888541.db2.gz VJCIBBQDVWVLPU-STQMWFEESA-N -1 3 381.904 3.840 20 0 GHADHM COCCN(C)CC[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000505570504 849901597 /nfs/dbraw/zinc/90/15/97/849901597.db2.gz LHOHFYTVKFHAOG-LJQANCHMSA-N -1 3 382.533 3.749 20 0 GHADHM COc1c(F)nccc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC001269505765 849922080 /nfs/dbraw/zinc/92/20/80/849922080.db2.gz LAOGDGYIFDQNRY-UHFFFAOYSA-N -1 3 382.779 3.793 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cc(F)ccc1Br ZINC000434958190 849946440 /nfs/dbraw/zinc/94/64/40/849946440.db2.gz KWXOXLHRFZBRDD-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3cccc(O)c3)cc2)cc(=O)[n-]1 ZINC000504247115 849985050 /nfs/dbraw/zinc/98/50/50/849985050.db2.gz PFNXZZADZIPKOF-ZDUSSCGKSA-N -1 3 378.432 3.616 20 0 GHADHM O=c1[n-]nc(SCc2c(Cl)ccc3cccnc32)n1C[C@@H]1CCCO1 ZINC000514563449 850010030 /nfs/dbraw/zinc/01/00/30/850010030.db2.gz UZBPFVYKRSJYIK-LBPRGKRZSA-N -1 3 376.869 3.657 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486835422 850161114 /nfs/dbraw/zinc/16/11/14/850161114.db2.gz WJBPFHZTKAUWRL-ZCFIWIBFSA-N -1 3 388.795 3.994 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000486862575 850177941 /nfs/dbraw/zinc/17/79/41/850177941.db2.gz ANYDWFFOFYJDBK-ZCFIWIBFSA-N -1 3 388.795 3.994 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1 ZINC000486866894 850182057 /nfs/dbraw/zinc/18/20/57/850182057.db2.gz ZQXGWIOZOZJROM-UHFFFAOYSA-N -1 3 388.533 3.648 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cc(F)ccc1Br ZINC000435226989 850244663 /nfs/dbraw/zinc/24/46/63/850244663.db2.gz ONTQOZLTDLFVTQ-GFCCVEGCSA-N -1 3 388.283 3.714 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000514790764 850290319 /nfs/dbraw/zinc/29/03/19/850290319.db2.gz CKYNJSDUGACVSR-HXUWFJFHSA-N -1 3 394.515 3.953 20 0 GHADHM Cc1cccc([C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C(=O)[O-])c1C ZINC000908751751 850329340 /nfs/dbraw/zinc/32/93/40/850329340.db2.gz NBGHMJPUXSJPJN-SFTDATJTSA-N -1 3 395.503 3.565 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1F ZINC000518915428 850346092 /nfs/dbraw/zinc/34/60/92/850346092.db2.gz YPZVTVOMOFXXLA-UHFFFAOYSA-N -1 3 389.408 3.526 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000908802133 850370597 /nfs/dbraw/zinc/37/05/97/850370597.db2.gz GJXNMOWHSASCAB-QGZVFWFLSA-N -1 3 381.542 3.560 20 0 GHADHM CCCN(C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[C@@H](CC)C(=O)[O-] ZINC000908870284 850419786 /nfs/dbraw/zinc/41/97/86/850419786.db2.gz WZBMIYIPVPVHMU-PMACEKPBSA-N -1 3 389.540 3.744 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@]45COC[C@@]4(C3)CCCC5)cc2)cc(=O)[n-]1 ZINC000664482705 850425123 /nfs/dbraw/zinc/42/51/23/850425123.db2.gz RXBYPAIABTWULT-SZPZYZBQSA-N -1 3 394.475 3.582 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(F)c1 ZINC000435442366 850532217 /nfs/dbraw/zinc/53/22/17/850532217.db2.gz KSYIWNQCRHVPFZ-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000909099837 850571121 /nfs/dbraw/zinc/57/11/21/850571121.db2.gz SBXALFCQDVZLLM-MZEUMTGBSA-N -1 3 382.435 3.774 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000604407124 862147160 /nfs/dbraw/zinc/14/71/60/862147160.db2.gz WJPGMMFZAAWBSK-CYBMUJFWSA-N -1 3 385.316 3.941 20 0 GHADHM O=C([N-]OCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000043822622 850631761 /nfs/dbraw/zinc/63/17/61/850631761.db2.gz OHFZJFZXVLSSSC-UHFFFAOYSA-N -1 3 394.456 3.948 20 0 GHADHM Cc1ccccc1-n1nccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000519201117 850751279 /nfs/dbraw/zinc/75/12/79/850751279.db2.gz DGXNFFVZOLKNPH-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])[C@@H]3C)cs2)cc1OC ZINC000515176905 850757578 /nfs/dbraw/zinc/75/75/78/850757578.db2.gz HIVRKJKPBRBYFT-SWLSCSKDSA-N -1 3 376.478 3.512 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc2ccccc12 ZINC000522616348 862188243 /nfs/dbraw/zinc/18/82/43/862188243.db2.gz GXBNPAWCQCLCLN-UHFFFAOYSA-N -1 3 382.272 3.724 20 0 GHADHM O=C(N[C@@H]1CCc2c1cccc2Br)c1nnc2ccccc2c1[O-] ZINC000732284911 862191305 /nfs/dbraw/zinc/19/13/05/862191305.db2.gz ILPGSDKPHSVOTA-CQSZACIVSA-N -1 3 384.233 3.515 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000569933904 851010899 /nfs/dbraw/zinc/01/08/99/851010899.db2.gz WJGIXFJFRFSPKH-UHFFFAOYSA-N -1 3 390.390 3.641 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519430565 851058690 /nfs/dbraw/zinc/05/86/90/851058690.db2.gz VAMOFZKBAZFXFW-FQEVSTJZSA-N -1 3 398.440 3.671 20 0 GHADHM C[C@H]1[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1(F)F ZINC000569967759 851118936 /nfs/dbraw/zinc/11/89/36/851118936.db2.gz AQWNYYSYKNAQBT-RCOVLWMOSA-N -1 3 382.168 3.653 20 0 GHADHM Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC000910458404 851211671 /nfs/dbraw/zinc/21/16/71/851211671.db2.gz SBNOHDJAGLPQGP-AWEZNQCLSA-N -1 3 396.516 3.652 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)cc1C ZINC000515632154 851273770 /nfs/dbraw/zinc/27/37/70/851273770.db2.gz LPZNGGGYUXUCPS-UHFFFAOYSA-N -1 3 387.461 3.861 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000473631129 851311048 /nfs/dbraw/zinc/31/10/48/851311048.db2.gz WIEUWJMDPXQBCY-UHFFFAOYSA-N -1 3 394.818 3.816 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110785927 851441454 /nfs/dbraw/zinc/44/14/54/851441454.db2.gz VYWDIPRIDZMJPS-ZIAGYGMSSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110785927 851441458 /nfs/dbraw/zinc/44/14/58/851441458.db2.gz VYWDIPRIDZMJPS-ZIAGYGMSSA-N -1 3 388.258 3.593 20 0 GHADHM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Br ZINC000180611709 862249185 /nfs/dbraw/zinc/24/91/85/862249185.db2.gz XXNCFTVUSNVMIK-UHFFFAOYSA-N -1 3 397.294 3.825 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)c2nc3cccc(Cl)c3s2)c(=O)[n-]1 ZINC000436400518 851574592 /nfs/dbraw/zinc/57/45/92/851574592.db2.gz OPNGYMMGSVDZMQ-UHFFFAOYSA-N -1 3 376.869 3.658 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c(C)s1 ZINC000550107479 851593241 /nfs/dbraw/zinc/59/32/41/851593241.db2.gz ONTUHNPUNWDGFG-UHFFFAOYSA-N -1 3 379.290 3.571 20 0 GHADHM CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911226376 851651400 /nfs/dbraw/zinc/65/14/00/851651400.db2.gz DAFBUSKJNYQLFW-JOCHJYFZSA-N -1 3 394.515 3.831 20 0 GHADHM CCCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911228753 851652580 /nfs/dbraw/zinc/65/25/80/851652580.db2.gz QKNGUZCCDKXKCQ-CFGKVWFZSA-N -1 3 396.487 3.894 20 0 GHADHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488643051 851670385 /nfs/dbraw/zinc/67/03/85/851670385.db2.gz IBMBMEQFTLMDLQ-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488686689 851695203 /nfs/dbraw/zinc/69/52/03/851695203.db2.gz ORBMTYXBHYPCSB-LLVKDONJSA-N -1 3 394.240 3.819 20 0 GHADHM O=C(CCc1ccnc2ccccc12)NCc1ccc([O-])c(Br)c1 ZINC000488673555 851699660 /nfs/dbraw/zinc/69/96/60/851699660.db2.gz LAVXPKMHNVKBCX-UHFFFAOYSA-N -1 3 385.261 3.952 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)Nc1ccc(CN(C)C)cc1F)C(=O)[O-] ZINC000911508328 851768551 /nfs/dbraw/zinc/76/85/51/851768551.db2.gz HFTQYXCINSCEKX-LBPRGKRZSA-N -1 3 376.453 3.705 20 0 GHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1ccc(F)cc1C(F)(F)F ZINC000488862716 851833871 /nfs/dbraw/zinc/83/38/71/851833871.db2.gz SOUOQHBZCQPILI-UHFFFAOYSA-N -1 3 398.381 3.914 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(F)CC3)ccc2C)cc1 ZINC000843753297 851843094 /nfs/dbraw/zinc/84/30/94/851843094.db2.gz OPUXMCMLEBZVKZ-UHFFFAOYSA-N -1 3 392.452 3.635 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2ccccc2C1 ZINC000488886318 851857943 /nfs/dbraw/zinc/85/79/43/851857943.db2.gz OWBPAANZBDOFEB-QGZVFWFLSA-N -1 3 396.915 3.594 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(CC1CC1)CC1CC1 ZINC000436521090 852012356 /nfs/dbraw/zinc/01/23/56/852012356.db2.gz BSNPWCVMRRJZCO-JOCHJYFZSA-N -1 3 392.499 3.902 20 0 GHADHM CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C)cc2[O-])CC1)c1ccccc1 ZINC000436535517 852026883 /nfs/dbraw/zinc/02/68/83/852026883.db2.gz AFYNXRAZBXTLRN-IBGZPJMESA-N -1 3 380.488 3.615 20 0 GHADHM CC(C)C(=O)NC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436577782 852061194 /nfs/dbraw/zinc/06/11/94/852061194.db2.gz PQQXOTJYBCMLIS-UHFFFAOYSA-N -1 3 394.515 3.554 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@](O)(C(F)(F)F)C1 ZINC000436570631 852073327 /nfs/dbraw/zinc/07/33/27/852073327.db2.gz ADJRMTXLGFLGIB-HXUWFJFHSA-N -1 3 393.405 3.707 20 0 GHADHM C[C@@H](N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1)C(F)(F)F ZINC000436571303 852074423 /nfs/dbraw/zinc/07/44/23/852074423.db2.gz CKSCFFYCIPNKGP-CQSZACIVSA-N -1 3 394.393 3.893 20 0 GHADHM CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436572127 852075217 /nfs/dbraw/zinc/07/52/17/852075217.db2.gz DFBFDTYEWHEERC-UHFFFAOYSA-N -1 3 394.515 3.702 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000436592661 852079773 /nfs/dbraw/zinc/07/97/73/852079773.db2.gz XISIDBAWSRTXPZ-LJQANCHMSA-N -1 3 390.430 3.588 20 0 GHADHM O=C(c1cc(F)cc(Cl)c1[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000436633737 852128511 /nfs/dbraw/zinc/12/85/11/852128511.db2.gz HVHYMZBTGFSNEP-UHFFFAOYSA-N -1 3 390.886 3.965 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436623287 852137795 /nfs/dbraw/zinc/13/77/95/852137795.db2.gz GEHIZGJGTNBWHS-LPHOPBHVSA-N -1 3 398.528 3.684 20 0 GHADHM Cc1nc2ccc(-c3noc(CCNC(=O)c4ccc(C)cc4[O-])n3)cc2s1 ZINC000436691380 852202511 /nfs/dbraw/zinc/20/25/11/852202511.db2.gz UJAGAEHJFQPQCN-UHFFFAOYSA-N -1 3 394.456 3.641 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000516151850 852214973 /nfs/dbraw/zinc/21/49/73/852214973.db2.gz RIVTXTXQIDJVAG-SXLOBPIMSA-N -1 3 396.491 3.705 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(O)cc1[O-] ZINC000436703263 852222249 /nfs/dbraw/zinc/22/22/49/852222249.db2.gz DNWWZBVJKSGGAK-UHFFFAOYSA-N -1 3 381.350 3.552 20 0 GHADHM COc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1[O-] ZINC000436710547 852231522 /nfs/dbraw/zinc/23/15/22/852231522.db2.gz VTTCKNZPIVPBML-UHFFFAOYSA-N -1 3 376.384 3.979 20 0 GHADHM CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000436721804 852247096 /nfs/dbraw/zinc/24/70/96/852247096.db2.gz YBOFXPMOTCZWHD-FQEVSTJZSA-N -1 3 387.524 3.609 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436722464 852249727 /nfs/dbraw/zinc/24/97/27/852249727.db2.gz JKNAOBXMOPFMJJ-ZWKOTPCHSA-N -1 3 392.499 3.666 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)c([O-])c1 ZINC000436729195 852269480 /nfs/dbraw/zinc/26/94/80/852269480.db2.gz GEKUGMBGRWPORA-UHFFFAOYSA-N -1 3 376.840 3.571 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436732995 852272300 /nfs/dbraw/zinc/27/23/00/852272300.db2.gz UGGAUIYWMCAKDN-AWEZNQCLSA-N -1 3 378.394 3.930 20 0 GHADHM COc1c(NC(=O)c2ccc(C)c(C)c2[O-])cc(Cl)cc1C(=O)N(C)C ZINC000436733906 852274245 /nfs/dbraw/zinc/27/42/45/852274245.db2.gz ZLSFYBATDRXNKS-UHFFFAOYSA-N -1 3 376.840 3.625 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)c([O-])c2O1 ZINC000436759049 852277854 /nfs/dbraw/zinc/27/78/54/852277854.db2.gz QUSOPGKSNQZUCD-UHFFFAOYSA-N -1 3 380.444 3.594 20 0 GHADHM COc1cc(Br)c(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])c(OC)c1 ZINC000426699753 852282599 /nfs/dbraw/zinc/28/25/99/852282599.db2.gz LXXDMCQSECPZJY-RYUDHWBXSA-N -1 3 388.302 3.835 20 0 GHADHM COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC1CCCC1 ZINC000436787496 852341969 /nfs/dbraw/zinc/34/19/69/852341969.db2.gz PJJGGVPVQGJOTO-UHFFFAOYSA-N -1 3 398.459 3.611 20 0 GHADHM COc1ccc(Br)cc1[C@@H](NCc1cccc(C)c1C)C(=O)[O-] ZINC000426742841 852342630 /nfs/dbraw/zinc/34/26/30/852342630.db2.gz LPTPLPNQRJLBIP-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000436788399 852344158 /nfs/dbraw/zinc/34/41/58/852344158.db2.gz YOHFTRFNNQMLNZ-UPVQGACJSA-N -1 3 377.484 3.961 20 0 GHADHM CCc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c([O-])c1 ZINC000436816798 852356880 /nfs/dbraw/zinc/35/68/80/852356880.db2.gz GDVIXLUGMZSZOS-UHFFFAOYSA-N -1 3 380.275 3.619 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(Cl)c(F)c1 ZINC000426754488 852361251 /nfs/dbraw/zinc/36/12/51/852361251.db2.gz QQHMHKFBGGAKDO-SFHVURJKSA-N -1 3 387.798 3.977 20 0 GHADHM COc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426760588 852368656 /nfs/dbraw/zinc/36/86/56/852368656.db2.gz SMDMLFYCUXWROA-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM COc1cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc(Br)c1[O-] ZINC000426760422 852369195 /nfs/dbraw/zinc/36/91/95/852369195.db2.gz REWRLHHHMNELCM-BZNIZROVSA-N -1 3 394.265 3.715 20 0 GHADHM CC(C)[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436811173 852370692 /nfs/dbraw/zinc/37/06/92/852370692.db2.gz ZWZLYYBLVJSVMQ-NJDAHSKKSA-N -1 3 392.499 3.998 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1c([O-])cccc1O ZINC000436827620 852377393 /nfs/dbraw/zinc/37/73/93/852377393.db2.gz UNSVCYODBVCDGK-AWEZNQCLSA-N -1 3 380.469 3.757 20 0 GHADHM Cn1nnc2cc(CN[C@H](CCC(=O)[O-])c3ccc(Cl)c(Cl)c3)ccc21 ZINC000426796670 852407107 /nfs/dbraw/zinc/40/71/07/852407107.db2.gz CWDDBEOFBVWJMM-OAHLLOKOSA-N -1 3 393.274 3.971 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(Br)c(C)c2)C(=O)[O-])cc1F ZINC000426804436 852416289 /nfs/dbraw/zinc/41/62/89/852416289.db2.gz ULRZFIDOWNGPDG-MRXNPFEDSA-N -1 3 382.229 3.821 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000517814183 852457743 /nfs/dbraw/zinc/45/77/43/852457743.db2.gz LCLMHMVPWJTUBQ-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000517814183 852457745 /nfs/dbraw/zinc/45/77/45/852457745.db2.gz LCLMHMVPWJTUBQ-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436890078 852462332 /nfs/dbraw/zinc/46/23/32/852462332.db2.gz CBAQOSIDLVJLEW-ONEGZZNKSA-N -1 3 392.499 3.904 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2c(C)cc(C)cc2C)c1 ZINC000436950174 852513052 /nfs/dbraw/zinc/51/30/52/852513052.db2.gz MLBAZARWFNECKD-UHFFFAOYSA-N -1 3 393.443 3.796 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436962496 852534116 /nfs/dbraw/zinc/53/41/16/852534116.db2.gz BZCREOVXDSIIKY-BEFAXECRSA-N -1 3 384.451 3.569 20 0 GHADHM COc1cccc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c1[O-] ZINC000436957944 852548262 /nfs/dbraw/zinc/54/82/62/852548262.db2.gz YLENNNRBMHKKMC-UHFFFAOYSA-N -1 3 384.342 3.506 20 0 GHADHM O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000436959328 852549213 /nfs/dbraw/zinc/54/92/13/852549213.db2.gz CWRUMUSFLCDHRM-UHFFFAOYSA-N -1 3 385.439 3.598 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000516464817 852591378 /nfs/dbraw/zinc/59/13/78/852591378.db2.gz DGHKRPFYEWLRAT-ZDUSSCGKSA-N -1 3 398.413 3.593 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000473852763 852610427 /nfs/dbraw/zinc/61/04/27/852610427.db2.gz UYOKESFSRGTZTC-KRWDZBQOSA-N -1 3 384.823 3.776 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489965596 852679405 /nfs/dbraw/zinc/67/94/05/852679405.db2.gz GDZRVJIXGDLDSE-LLVKDONJSA-N -1 3 395.855 3.621 20 0 GHADHM CC1(C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000427132851 852758476 /nfs/dbraw/zinc/75/84/76/852758476.db2.gz HXILVYWYWOFIGE-GOSISDBHSA-N -1 3 390.480 3.935 20 0 GHADHM CC1(C)CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000427126770 852764433 /nfs/dbraw/zinc/76/44/33/852764433.db2.gz AXRSZAGJJRHMJA-SFHVURJKSA-N -1 3 390.480 3.935 20 0 GHADHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC000067860394 852812576 /nfs/dbraw/zinc/81/25/76/852812576.db2.gz YXEZSCALPTXDAC-QGZVFWFLSA-N -1 3 376.250 3.677 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732655755 862407994 /nfs/dbraw/zinc/40/79/94/862407994.db2.gz ZIEXAAGSMIOHJN-OAHLLOKOSA-N -1 3 397.175 3.565 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1[O-] ZINC000518150856 852934497 /nfs/dbraw/zinc/93/44/97/852934497.db2.gz GTDWHHPRFCYZFO-FQEVSTJZSA-N -1 3 388.423 3.705 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@H]1OCCc2sccc21 ZINC000490577516 853101773 /nfs/dbraw/zinc/10/17/73/853101773.db2.gz GOFDQZJKTQLCMP-PIGZYNQJSA-N -1 3 395.477 3.923 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000507631141 853126478 /nfs/dbraw/zinc/12/64/78/853126478.db2.gz WUKTWEHAKBZVDL-UHFFFAOYSA-N -1 3 389.395 3.576 20 0 GHADHM CC(C)CC(=O)Nc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1F ZINC000439024131 853193529 /nfs/dbraw/zinc/19/35/29/853193529.db2.gz YXCIGPVTFDPFAK-UHFFFAOYSA-N -1 3 380.423 3.875 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000439061206 853227782 /nfs/dbraw/zinc/22/77/82/853227782.db2.gz RWGZSFSCSVAXPO-HNNXBMFYSA-N -1 3 386.451 3.969 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c1 ZINC000518354084 853257138 /nfs/dbraw/zinc/25/71/38/853257138.db2.gz TULXTCOOYPXVFX-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000623832887 862444910 /nfs/dbraw/zinc/44/49/10/862444910.db2.gz JLFLLKQNRGWEJW-UHFFFAOYSA-N -1 3 389.459 3.665 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913357054 853282538 /nfs/dbraw/zinc/28/25/38/853282538.db2.gz ICHWBJURQZSYOT-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913357054 853282549 /nfs/dbraw/zinc/28/25/49/853282549.db2.gz ICHWBJURQZSYOT-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518415955 853319698 /nfs/dbraw/zinc/31/96/98/853319698.db2.gz IMZUTTJDPSYCOA-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518415955 853319708 /nfs/dbraw/zinc/31/97/08/853319708.db2.gz IMZUTTJDPSYCOA-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM CCOc1c(F)cccc1C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000439154870 853364304 /nfs/dbraw/zinc/36/43/04/853364304.db2.gz ACBROLJPCYJMFR-UHFFFAOYSA-N -1 3 389.814 3.951 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC000519701200 853384643 /nfs/dbraw/zinc/38/46/43/853384643.db2.gz HVLYQBLGXGEGHU-JOCHJYFZSA-N -1 3 399.487 3.990 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000604772593 862465364 /nfs/dbraw/zinc/46/53/64/862465364.db2.gz RSMCFHQXLNOJDJ-ZANVPECISA-N -1 3 395.324 3.957 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000519858178 853552849 /nfs/dbraw/zinc/55/28/49/853552849.db2.gz NZDGFBUJXRDSEC-YFVAEKQCSA-N -1 3 392.499 3.710 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2)Cc2ccccc2F)c(=O)[n-]1 ZINC000519886090 853583096 /nfs/dbraw/zinc/58/30/96/853583096.db2.gz KFQPLVHQDQSJBO-UHFFFAOYSA-N -1 3 379.435 3.710 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc(NC2CC2)n1 ZINC000425933009 853683432 /nfs/dbraw/zinc/68/34/32/853683432.db2.gz XHSNINFFDHIILD-UHFFFAOYSA-N -1 3 377.882 3.564 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c(Br)c1 ZINC000519993297 853710281 /nfs/dbraw/zinc/71/02/81/853710281.db2.gz CAZDYEMCTHIXEO-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM CCc1cc(CN[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)on1 ZINC000623896970 862494776 /nfs/dbraw/zinc/49/47/76/862494776.db2.gz DIMIBCLMRDTTFN-OAHLLOKOSA-N -1 3 385.489 3.889 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccc(OCC(F)(F)F)n1 ZINC000440980233 853807121 /nfs/dbraw/zinc/80/71/21/853807121.db2.gz BTOXWYQOULIQEQ-UHFFFAOYSA-N -1 3 380.244 3.999 20 0 GHADHM CCc1cccc(Cc2cnc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)s2)c1 ZINC000571296464 853833211 /nfs/dbraw/zinc/83/32/11/853833211.db2.gz PXOCLGCUGRDSAV-UHFFFAOYSA-N -1 3 380.473 3.922 20 0 GHADHM O=C([N-]NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1F ZINC000044774570 853836639 /nfs/dbraw/zinc/83/66/39/853836639.db2.gz MBZAYXFGEMKPTQ-KBPBESRZSA-N -1 3 395.459 3.946 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCCOc2ccc3ccccc3c2)cc1OC ZINC000732806313 862505270 /nfs/dbraw/zinc/50/52/70/862505270.db2.gz BZUFBYYKCCYIMT-UHFFFAOYSA-N -1 3 395.455 3.916 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000025741437 853916537 /nfs/dbraw/zinc/91/65/37/853916537.db2.gz FCDQWQDXGAUJGL-UHFFFAOYSA-N -1 3 386.395 3.889 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)sc1Cl ZINC000473904053 854214355 /nfs/dbraw/zinc/21/43/55/854214355.db2.gz RIQHMUJVRJWHRM-UHFFFAOYSA-N -1 3 385.873 3.513 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cccc(F)c1F ZINC000588219468 854220392 /nfs/dbraw/zinc/22/03/92/854220392.db2.gz OROGWCKEVFZFJY-UHFFFAOYSA-N -1 3 396.166 3.931 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cccs1 ZINC000473908798 854237097 /nfs/dbraw/zinc/23/70/97/854237097.db2.gz XTIFRBNNLPBBEN-JTQLQIEISA-N -1 3 397.324 3.775 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473912587 854252025 /nfs/dbraw/zinc/25/20/25/854252025.db2.gz LAJHDFCSJOCLJB-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473912587 854252032 /nfs/dbraw/zinc/25/20/32/854252032.db2.gz LAJHDFCSJOCLJB-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)sc1Cl ZINC000473912460 854253103 /nfs/dbraw/zinc/25/31/03/854253103.db2.gz SWLFXQQDJBPRLI-LBPRGKRZSA-N -1 3 390.983 3.887 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112638828 854280852 /nfs/dbraw/zinc/28/08/52/854280852.db2.gz AQLFUJZQXHLBCK-NSPYISDASA-N -1 3 397.272 3.954 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2ccccc2F)cc1OC ZINC000588641649 854323347 /nfs/dbraw/zinc/32/33/47/854323347.db2.gz KSVVGJBFAPPYRN-ZDUSSCGKSA-N -1 3 394.468 3.728 20 0 GHADHM Cc1c2ccccc2nc(N2CCN(CCc3ccccc3)CC2)c1C(=O)[O-] ZINC000572043158 854341953 /nfs/dbraw/zinc/34/19/53/854341953.db2.gz HXMQPHUFYIOSEM-UHFFFAOYSA-N -1 3 375.472 3.606 20 0 GHADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)sc1Cl ZINC000473936446 854368218 /nfs/dbraw/zinc/36/82/18/854368218.db2.gz ITGCYRCCDUXJNB-UHFFFAOYSA-N -1 3 396.715 3.657 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473936678 854368406 /nfs/dbraw/zinc/36/84/06/854368406.db2.gz KMBQSXJYKKBPEC-NHYWBVRUSA-N -1 3 389.926 3.773 20 0 GHADHM Cc1ccc(Oc2ccccc2CC[N-]S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC001212153261 854394460 /nfs/dbraw/zinc/39/44/60/854394460.db2.gz HRDZWWPZTQEMDK-UHFFFAOYSA-N -1 3 391.880 3.685 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)cc1F ZINC000123707130 854413330 /nfs/dbraw/zinc/41/33/30/854413330.db2.gz GRDNLOYMILGUAU-UHFFFAOYSA-N -1 3 382.233 3.530 20 0 GHADHM CC[C@H](Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)c1ccc(F)cc1 ZINC000133487286 862567386 /nfs/dbraw/zinc/56/73/86/862567386.db2.gz SKYDWBUOUSZFNC-AWEZNQCLSA-N -1 3 387.436 3.796 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c1 ZINC000481974419 862568139 /nfs/dbraw/zinc/56/81/39/862568139.db2.gz SCYQWNPZACUGCG-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000481965277 862572879 /nfs/dbraw/zinc/57/28/79/862572879.db2.gz QISMYXQDHXCAHS-OAHLLOKOSA-N -1 3 388.489 3.903 20 0 GHADHM Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000604893975 862575158 /nfs/dbraw/zinc/57/51/58/862575158.db2.gz PRUGXBBDHPYICL-SFHVURJKSA-N -1 3 394.431 3.664 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1nc(C(C)(C)C)cs1 ZINC000330815860 854755988 /nfs/dbraw/zinc/75/59/88/854755988.db2.gz MRTAOQJNPLDGOC-MRVPVSSYSA-N -1 3 393.328 3.836 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2C(C)C)cc1 ZINC000127088895 854794566 /nfs/dbraw/zinc/79/45/66/854794566.db2.gz WIZPZOJCSCXKBO-UHFFFAOYSA-N -1 3 378.358 3.693 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2C(C)C)cc1 ZINC000127088895 854794569 /nfs/dbraw/zinc/79/45/69/854794569.db2.gz WIZPZOJCSCXKBO-UHFFFAOYSA-N -1 3 378.358 3.693 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1Cl ZINC000589629352 855079642 /nfs/dbraw/zinc/07/96/42/855079642.db2.gz DATNKTGJWULUQC-UHFFFAOYSA-N -1 3 388.272 3.633 20 0 GHADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000589695192 855111680 /nfs/dbraw/zinc/11/16/80/855111680.db2.gz GWMKETBGAMOWKL-MRXNPFEDSA-N -1 3 390.439 3.792 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000054294663 855139732 /nfs/dbraw/zinc/13/97/32/855139732.db2.gz GOEMNZITPTUMPB-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC000671894820 855164572 /nfs/dbraw/zinc/16/45/72/855164572.db2.gz NUTVZIYVEXXLTJ-UHFFFAOYSA-N -1 3 393.443 3.948 20 0 GHADHM CCC(CC)[C@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000057267553 855320277 /nfs/dbraw/zinc/32/02/77/855320277.db2.gz PMNSCDIXFBLTML-INIZCTEOSA-N -1 3 390.465 3.778 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)s1 ZINC000056117832 855474944 /nfs/dbraw/zinc/47/49/44/855474944.db2.gz NTPGKTWQMVGESU-UHFFFAOYSA-N -1 3 394.905 3.854 20 0 GHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(F)cc1I ZINC000417541901 855535559 /nfs/dbraw/zinc/53/55/59/855535559.db2.gz ZEEQUTOLEZUMAU-QWRGUYRKSA-N -1 3 393.240 3.799 20 0 GHADHM O=C(NCCNc1ncnc2sc(-c3ccccc3)cc21)c1ccc([O-])cc1 ZINC000059023378 855565124 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GHADHM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000592006914 856533472 /nfs/dbraw/zinc/53/34/72/856533472.db2.gz LUQWPLFNVDCJRH-SNVBAGLBSA-N -1 3 382.279 3.882 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H]1c1ccc(Br)s1 ZINC000436842938 856592318 /nfs/dbraw/zinc/59/23/18/856592318.db2.gz ZHCFPIBJPPFLAC-JTQLQIEISA-N -1 3 396.262 3.922 20 0 GHADHM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000905795458 856595465 /nfs/dbraw/zinc/59/54/65/856595465.db2.gz PXESKUZVIGSDRF-AWEZNQCLSA-N -1 3 394.258 3.789 20 0 GHADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482216618 862815832 /nfs/dbraw/zinc/81/58/32/862815832.db2.gz DZADDSFQFJILEZ-ZCFIWIBFSA-N -1 3 399.225 3.927 20 0 GHADHM O=C(NC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)Nc1cccc(F)c1 ZINC000507939926 856690132 /nfs/dbraw/zinc/69/01/32/856690132.db2.gz WLKPJRIQJZCOSN-ZDUSSCGKSA-N -1 3 393.409 3.843 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)cnn1-c1ccccc1F ZINC000507922151 856696004 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C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C2)C1 ZINC000542915379 856793522 /nfs/dbraw/zinc/79/35/22/856793522.db2.gz RYXSOUYEOJGTEI-BLVKFPJESA-N -1 3 389.293 3.943 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1 ZINC000151468286 856812721 /nfs/dbraw/zinc/81/27/21/856812721.db2.gz PZXSSAJPGJEYJQ-ZDUSSCGKSA-N -1 3 393.303 3.648 20 0 GHADHM O=c1cc(-c2nc(Cc3cc(Br)ccc3F)no2)nc(C2CC2)[n-]1 ZINC000906104208 856829685 /nfs/dbraw/zinc/82/96/85/856829685.db2.gz UNGWZKGNWBXJHL-UHFFFAOYSA-N -1 3 391.200 3.602 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508086335 856884677 /nfs/dbraw/zinc/88/46/77/856884677.db2.gz CACMLXRDXADLBV-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000592470556 856886086 /nfs/dbraw/zinc/88/60/86/856886086.db2.gz PBWXKIXAGAUKJH-SFHVURJKSA-N -1 3 384.480 3.971 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(-c3ccccc3)on2)c(C(=O)OCC)[n-]1 ZINC000485668233 856903602 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GHADHM COc1ccncc1CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000672359544 857210228 /nfs/dbraw/zinc/21/02/28/857210228.db2.gz WUSMJNIHRAMLKY-UHFFFAOYSA-N -1 3 399.863 3.870 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000506624119 857221476 /nfs/dbraw/zinc/22/14/76/857221476.db2.gz JKCZCQAPJRRWES-MRXNPFEDSA-N -1 3 376.456 3.837 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000509245362 857341384 /nfs/dbraw/zinc/34/13/84/857341384.db2.gz CKATZNMKVKAZJC-UHFFFAOYSA-N -1 3 394.587 3.758 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)[C@H]1CCOC1 ZINC000656628593 857422914 /nfs/dbraw/zinc/42/29/14/857422914.db2.gz PLPSEIFVWIPOEG-GUYCJALGSA-N -1 3 383.897 3.595 20 0 GHADHM CC(C)c1csc(C[N-]C(=O)C(F)(F)c2ncccc2Br)n1 ZINC000907032463 857441024 /nfs/dbraw/zinc/44/10/24/857441024.db2.gz TYMRMEGDFNGQSY-UHFFFAOYSA-N -1 3 390.253 3.832 20 0 GHADHM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000130709284 857535250 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O=C(NCc1ccc([O-])c(Br)c1)C1CC(OCc2ccccc2)C1 ZINC000676056123 857719537 /nfs/dbraw/zinc/71/95/37/857719537.db2.gz XHFGFUMYKSNVLJ-UHFFFAOYSA-N -1 3 390.277 3.766 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCc3ccc(O)cc3)cc2)cc(=O)[n-]1 ZINC000605323567 862946794 /nfs/dbraw/zinc/94/67/94/862946794.db2.gz JSJSTDKCBVVLJC-UHFFFAOYSA-N -1 3 378.432 3.618 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccsc1 ZINC000521234894 857775457 /nfs/dbraw/zinc/77/54/57/857775457.db2.gz XZVBDRGVRWCUHT-CYBMUJFWSA-N -1 3 381.571 3.524 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1n[nH]c(C2CC2)c1Br ZINC000065216321 857781087 /nfs/dbraw/zinc/78/10/87/857781087.db2.gz BATYVJGIPRUUNQ-UHFFFAOYSA-N -1 3 390.266 3.820 20 0 GHADHM CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065785989 857785104 /nfs/dbraw/zinc/78/51/04/857785104.db2.gz HKMQNTGNQFPUHI-UHFFFAOYSA-N -1 3 383.423 3.934 20 0 GHADHM CCCC1CCC(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000065820702 857806220 /nfs/dbraw/zinc/80/62/20/857806220.db2.gz RJISRVMYVSPVAW-UHFFFAOYSA-N -1 3 397.541 3.937 20 0 GHADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000907946144 857855460 /nfs/dbraw/zinc/85/54/60/857855460.db2.gz JOZPQRSYEHYDJD-UHFFFAOYSA-N -1 3 376.400 3.611 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC=C(Br)C2)s1 ZINC000907999074 857893598 /nfs/dbraw/zinc/89/35/98/857893598.db2.gz WEGMORHUMAKGCR-UHFFFAOYSA-N -1 3 388.287 3.615 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1F ZINC000521355646 857897757 /nfs/dbraw/zinc/89/77/57/857897757.db2.gz ZSRAMXJXUZEBQQ-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F ZINC000521345756 857905144 /nfs/dbraw/zinc/90/51/44/857905144.db2.gz WSKCGDPFCBQXAS-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM CSc1ccc(C)c(C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000120571145 862978577 /nfs/dbraw/zinc/97/85/77/862978577.db2.gz KBEONRHTJXONTK-UHFFFAOYSA-N -1 3 379.279 3.554 20 0 GHADHM CCOc1ccc(CN2CCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)cc1 ZINC000574573856 858092943 /nfs/dbraw/zinc/09/29/43/858092943.db2.gz ILCMTENJODXRRJ-UHFFFAOYSA-N -1 3 391.471 3.654 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1cnccc1C(F)(F)F ZINC000442811732 858154180 /nfs/dbraw/zinc/15/41/80/858154180.db2.gz PIAZYTTYNRWDEE-UHFFFAOYSA-N -1 3 396.390 3.611 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066686683 858249908 /nfs/dbraw/zinc/24/99/08/858249908.db2.gz DZAAJULUAHDMDJ-SFHVURJKSA-N -1 3 386.810 3.534 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)c1 ZINC000594703967 858260062 /nfs/dbraw/zinc/26/00/62/858260062.db2.gz GUDPARAGUGNWFS-NSHDSACASA-N -1 3 399.415 3.730 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCC2 ZINC001212507114 858361779 /nfs/dbraw/zinc/36/17/79/858361779.db2.gz NXQWPYWNHBWKIL-GJZGRUSLSA-N -1 3 375.893 3.884 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000443093206 858371579 /nfs/dbraw/zinc/37/15/79/858371579.db2.gz MCMGFATUHSVCIA-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000443129906 858396192 /nfs/dbraw/zinc/39/61/92/858396192.db2.gz GDBOOWNLUVTHSS-UHFFFAOYSA-N -1 3 395.527 3.963 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000443233171 858479271 /nfs/dbraw/zinc/47/92/71/858479271.db2.gz HPGYGCRKGDOZGA-KRWDZBQOSA-N -1 3 377.437 3.672 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c(C)c1C ZINC000115313126 858488165 /nfs/dbraw/zinc/48/81/65/858488165.db2.gz XMOJMPGNUNXEKW-DEOSSOPVSA-N -1 3 379.547 3.908 20 0 GHADHM COC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000665310815 858498325 /nfs/dbraw/zinc/49/83/25/858498325.db2.gz HJPDJPCPZVMWGP-INIZCTEOSA-N -1 3 381.350 3.731 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cc(Br)ccc1Cl ZINC000543165797 858720558 /nfs/dbraw/zinc/72/05/58/858720558.db2.gz DJKBLIVIEVQNMK-SNVBAGLBSA-N -1 3 384.748 3.667 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000482756297 858829531 /nfs/dbraw/zinc/82/95/31/858829531.db2.gz OQCPCBBKKXZZJJ-LBPRGKRZSA-N -1 3 387.381 3.939 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc(Cl)cc(Cl)c2)o1 ZINC000060060994 858839436 /nfs/dbraw/zinc/83/94/36/858839436.db2.gz FGZGMUOIHPROTC-UHFFFAOYSA-N -1 3 384.263 3.503 20 0 GHADHM CO[C@@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCOC1 ZINC000596325873 858859389 /nfs/dbraw/zinc/85/93/89/858859389.db2.gz OSTFHJMBXJQOIX-FZMZJTMJSA-N -1 3 392.502 3.942 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC1(F)F ZINC000673378638 858863971 /nfs/dbraw/zinc/86/39/71/858863971.db2.gz UBSCIYQKCQGIPS-QZTJIDSGSA-N -1 3 388.414 3.557 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCCCC[C@@H]3CC(C)C)c(=O)c2c(OC)c1 ZINC000625770590 858870600 /nfs/dbraw/zinc/87/06/00/858870600.db2.gz XYYKWMVFTBGOLW-OAHLLOKOSA-N -1 3 386.492 3.976 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000499683592 858874057 /nfs/dbraw/zinc/87/40/57/858874057.db2.gz MRJGJFCOLNBNOT-UHFFFAOYSA-N -1 3 376.859 3.705 20 0 GHADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(CC)ccc1[O-] ZINC000093912653 858891011 /nfs/dbraw/zinc/89/10/11/858891011.db2.gz RTAWOHAZXSBJOM-UHFFFAOYSA-N -1 3 399.878 3.897 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000522253345 858900481 /nfs/dbraw/zinc/90/04/81/858900481.db2.gz KIBNXFAVNPJKAN-UHFFFAOYSA-N -1 3 389.242 3.628 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl ZINC000522254986 858901386 /nfs/dbraw/zinc/90/13/86/858901386.db2.gz BBOSKWZPYKLQQQ-UHFFFAOYSA-N -1 3 386.300 3.978 20 0 GHADHM COc1ccc(CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1Cl ZINC000522260337 858917574 /nfs/dbraw/zinc/91/75/74/858917574.db2.gz KLFIFWWCOWBDBY-UHFFFAOYSA-N -1 3 397.862 3.979 20 0 GHADHM COc1ccsc1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000522283989 858966881 /nfs/dbraw/zinc/96/68/81/858966881.db2.gz UDSPTCXBTYQGLK-UHFFFAOYSA-N -1 3 396.241 3.723 20 0 GHADHM CC[C@@]1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2O1 ZINC000443574144 858975324 /nfs/dbraw/zinc/97/53/24/858975324.db2.gz KPJCPSUKOBXOCG-AOMKIAJQSA-N -1 3 396.443 3.533 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3ccc4ccccc4n3)nc(=O)c2c1C ZINC000010961734 859026849 /nfs/dbraw/zinc/02/68/49/859026849.db2.gz QGHUMUJEMIPTLF-UHFFFAOYSA-N -1 3 397.481 3.920 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c1Cl ZINC000543250501 859043185 /nfs/dbraw/zinc/04/31/85/859043185.db2.gz UWWLKPPHMCAKEJ-CQSZACIVSA-N -1 3 388.316 3.574 20 0 GHADHM C[C@@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cccc1Cl ZINC000482990034 859044536 /nfs/dbraw/zinc/04/45/36/859044536.db2.gz ROMXOLFCYAVFHU-ZETCQYMHSA-N -1 3 396.200 3.733 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000738382476 859131340 /nfs/dbraw/zinc/13/13/40/859131340.db2.gz KTYNEWJTIFHWBZ-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000738382476 859131348 /nfs/dbraw/zinc/13/13/48/859131348.db2.gz KTYNEWJTIFHWBZ-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM COc1cc(CCO)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000673428141 859133556 /nfs/dbraw/zinc/13/35/56/859133556.db2.gz BRXKLIDUXOMYEC-UHFFFAOYSA-N -1 3 393.439 3.767 20 0 GHADHM CC(C)COC1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000194296769 859256295 /nfs/dbraw/zinc/25/62/95/859256295.db2.gz JORVZBPXZNNJAR-UHFFFAOYSA-N -1 3 387.505 3.882 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3sc(Br)cc3C2)cc1[O-] ZINC000665377610 859285503 /nfs/dbraw/zinc/28/55/03/859285503.db2.gz CSAWNAZJFVLDFB-UHFFFAOYSA-N -1 3 380.263 3.617 20 0 GHADHM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(N(C)C)cc3)c2)cn1 ZINC000509393465 859290103 /nfs/dbraw/zinc/29/01/03/859290103.db2.gz ZQCSFHIEQFPQMI-UHFFFAOYSA-N -1 3 397.500 3.932 20 0 GHADHM COc1cc(C)ccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000466724311 859320663 /nfs/dbraw/zinc/32/06/63/859320663.db2.gz GFYKPYKJMDPVHC-UHFFFAOYSA-N -1 3 378.432 3.796 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000923471536 859341344 /nfs/dbraw/zinc/34/13/44/859341344.db2.gz QTYYSTYDUPJEHA-XMSQKQJNSA-N -1 3 392.515 3.996 20 0 GHADHM Cc1ccccc1-c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000113731771 859344069 /nfs/dbraw/zinc/34/40/69/859344069.db2.gz BAMIFLSZBWKLRU-UHFFFAOYSA-N -1 3 387.461 3.774 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923472655 859355774 /nfs/dbraw/zinc/35/57/74/859355774.db2.gz WQKVKQQXEUCHPL-RBBKRZOGSA-N -1 3 390.499 3.750 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000195702789 859399008 /nfs/dbraw/zinc/39/90/08/859399008.db2.gz RSTIRZLAKUOIRH-UHFFFAOYSA-N -1 3 390.439 3.859 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483540904 859437211 /nfs/dbraw/zinc/43/72/11/859437211.db2.gz HXXHIPMKILYIST-IUODEOHRSA-N -1 3 381.402 3.815 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)ccc3-n3ccnc3)c2)n1 ZINC000114118036 859481021 /nfs/dbraw/zinc/48/10/21/859481021.db2.gz OPDDJQVKIJRVNR-UHFFFAOYSA-N -1 3 399.454 3.746 20 0 GHADHM CC(=O)c1ccc(NC(=S)NCc2ccc([O-])c(Br)c2)cc1 ZINC000764522694 859483329 /nfs/dbraw/zinc/48/33/29/859483329.db2.gz FBDPZDDHRPCDHL-UHFFFAOYSA-N -1 3 379.279 3.844 20 0 GHADHM C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502920 859625420 /nfs/dbraw/zinc/62/54/20/859625420.db2.gz GURNABFPGBAWBD-GHMZBOCLSA-N -1 3 387.436 3.534 20 0 GHADHM COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])sc1C ZINC000597588539 859651418 /nfs/dbraw/zinc/65/14/18/859651418.db2.gz MOQRIUFGHQDRLW-CYBMUJFWSA-N -1 3 392.502 3.643 20 0 GHADHM C[C@H](Sc1nnc(N)s1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018266702 859824185 /nfs/dbraw/zinc/82/41/85/859824185.db2.gz QBOJEXYCXDSWJU-LURJTMIESA-N -1 3 377.476 3.532 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000673543417 859837280 /nfs/dbraw/zinc/83/72/80/859837280.db2.gz CLZJZZDIUSRBKB-UHFFFAOYSA-N -1 3 397.287 3.503 20 0 GHADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000727134362 859937253 /nfs/dbraw/zinc/93/72/53/859937253.db2.gz VXMMIPAVJCAWTE-ZDUSSCGKSA-N -1 3 387.274 3.643 20 0 GHADHM COc1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000484360868 859960965 /nfs/dbraw/zinc/96/09/65/859960965.db2.gz HGQYNPFGMLJSKZ-UHFFFAOYSA-N -1 3 379.840 3.604 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)ccc2[nH]1 ZINC000385906747 859984379 /nfs/dbraw/zinc/98/43/79/859984379.db2.gz UJPGNIGHMYWARO-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cn2cc(Cl)ccc2n1 ZINC000904002795 860016206 /nfs/dbraw/zinc/01/62/06/860016206.db2.gz DUMNDWKKMRWLEB-QGZVFWFLSA-N -1 3 389.908 3.506 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CN[C@H](CSC)C(=O)[O-])c1 ZINC000904040627 860058684 /nfs/dbraw/zinc/05/86/84/860058684.db2.gz SDMBFXQPNPUMEP-QGZVFWFLSA-N -1 3 395.908 3.833 20 0 GHADHM Cc1cnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000011987313 860071527 /nfs/dbraw/zinc/07/15/27/860071527.db2.gz AXZIOLPZXBRHMF-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)cc1[O-] ZINC000598142460 860072017 /nfs/dbraw/zinc/07/20/17/860072017.db2.gz IIYCGDVXVBNRCH-UHFFFAOYSA-N -1 3 375.465 3.569 20 0 GHADHM C[C@@](CO)(CNCc1nc(-c2cc(Cl)ccc2Cl)cs1)CC(=O)[O-] ZINC000904062533 860084189 /nfs/dbraw/zinc/08/41/89/860084189.db2.gz IAAJSJNYFGVYNI-INIZCTEOSA-N -1 3 389.304 3.680 20 0 GHADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000904070769 860095190 /nfs/dbraw/zinc/09/51/90/860095190.db2.gz ZNXAPECFPUPOCN-SCLBCKFNSA-N -1 3 398.290 3.599 20 0 GHADHM O=C([O-])COc1ccc(CCCNCc2ccsc2Br)cc1 ZINC000904072690 860098698 /nfs/dbraw/zinc/09/86/98/860098698.db2.gz USRSBOHWYBXMFN-UHFFFAOYSA-N -1 3 384.295 3.696 20 0 GHADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000904072671 860098896 /nfs/dbraw/zinc/09/88/96/860098896.db2.gz TVDPKVOATLDOLY-OAHLLOKOSA-N -1 3 379.254 3.548 20 0 GHADHM COC(=O)c1cnc(SCc2csc(-c3ccc(OC)c(OC)c3)n2)[n-]1 ZINC000484572718 860124785 /nfs/dbraw/zinc/12/47/85/860124785.db2.gz HZCJAVLWNLGOOU-UHFFFAOYSA-N -1 3 391.474 3.629 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)c1Cl ZINC000751426720 860144452 /nfs/dbraw/zinc/14/44/52/860144452.db2.gz IKZIXQUYNFLRGI-ZDUSSCGKSA-N -1 3 394.707 3.967 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1C(=O)N1CCOCC1 ZINC000527159870 860169709 /nfs/dbraw/zinc/16/97/09/860169709.db2.gz IDCWMYLWLBPWPU-UHFFFAOYSA-N -1 3 390.439 3.579 20 0 GHADHM CCOc1c(OC)cc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1OC ZINC000527162956 860169813 /nfs/dbraw/zinc/16/98/13/860169813.db2.gz MGHWUAFIPDKPIY-UHFFFAOYSA-N -1 3 381.428 3.891 20 0 GHADHM CC(C)n1nnnc1S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018385961 860205220 /nfs/dbraw/zinc/20/52/20/860205220.db2.gz GMYLIVBPFWQHBA-VIFPVBQESA-N -1 3 388.478 3.665 20 0 GHADHM CCC1(CC)[C@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C[C@@H]1OC ZINC000904195100 860223515 /nfs/dbraw/zinc/22/35/15/860223515.db2.gz JFRQLLAAUPWNEO-MSOLQXFVSA-N -1 3 378.513 3.606 20 0 GHADHM O=C(NCc1cc2ccccc2o1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602751957 860257237 /nfs/dbraw/zinc/25/72/37/860257237.db2.gz TUMPOGRKAFRCJR-UHFFFAOYSA-N -1 3 397.228 3.967 20 0 GHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000904234911 860272579 /nfs/dbraw/zinc/27/25/79/860272579.db2.gz CVPPPINCKQKPDN-HZSPNIEDSA-N -1 3 392.805 3.561 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCC[C@@H](C(F)(F)F)O3)nc2)n1 ZINC000896033570 860274985 /nfs/dbraw/zinc/27/49/85/860274985.db2.gz LFKQLKYNLUNAKR-KBPBESRZSA-N -1 3 382.386 3.719 20 0 GHADHM O=S(=O)([N-]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1C(F)(F)F ZINC000673587690 860283855 /nfs/dbraw/zinc/28/38/55/860283855.db2.gz OCPVEIAREYXTHJ-SNVBAGLBSA-N -1 3 391.798 3.813 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@@H]3[C@@H]4Cc5cc(Cl)ccc5[C@@H]43)o2)CC1 ZINC000904253771 860292368 /nfs/dbraw/zinc/29/23/68/860292368.db2.gz RXKICEINWDMVKY-YZGWKJHDSA-N -1 3 386.879 3.662 20 0 GHADHM COc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC000728004099 860350139 /nfs/dbraw/zinc/35/01/39/860350139.db2.gz IOGZTTHDBZQYGZ-UHFFFAOYSA-N -1 3 398.459 3.798 20 0 GHADHM COc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)cc1OC(F)F ZINC000765626194 860353533 /nfs/dbraw/zinc/35/35/33/860353533.db2.gz UTNRZJSPSZTIMJ-UHFFFAOYSA-N -1 3 375.293 3.844 20 0 GHADHM O=C([N-]CCNc1ccc(C(F)(F)F)cn1)C(F)(F)c1ccccc1F ZINC000765620163 860355051 /nfs/dbraw/zinc/35/50/51/860355051.db2.gz ZLQJOKGBPMCBCV-UHFFFAOYSA-N -1 3 377.288 3.560 20 0 GHADHM COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)s1 ZINC000598564701 860406195 /nfs/dbraw/zinc/40/61/95/860406195.db2.gz UPSMDZCPRFTKEV-CQSZACIVSA-N -1 3 388.489 3.779 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3O[C@H](C)C[C@H]3C)cc2)cc1 ZINC000499993890 860432350 /nfs/dbraw/zinc/43/23/50/860432350.db2.gz CIUOTKYQDNJFMG-SPYBWZPUSA-N -1 3 388.489 3.548 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598691958 860520210 /nfs/dbraw/zinc/52/02/10/860520210.db2.gz YRYIUWYYEAJNHO-LBPRGKRZSA-N -1 3 387.398 3.995 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000474697874 860652040 /nfs/dbraw/zinc/65/20/40/860652040.db2.gz PDMIUBIFQLSOSU-QGZVFWFLSA-N -1 3 387.553 3.602 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)s1 ZINC000016974030 860778775 /nfs/dbraw/zinc/77/87/75/860778775.db2.gz FPDRKOLZJSVJNK-UHFFFAOYSA-N -1 3 389.901 3.567 20 0 GHADHM C[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)n1ccc2ccccc2c1=O ZINC000509068184 860788907 /nfs/dbraw/zinc/78/89/07/860788907.db2.gz SPLZYBODMKRYKN-CYBMUJFWSA-N -1 3 399.410 3.733 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)c(F)c1F ZINC000625089240 860862301 /nfs/dbraw/zinc/86/23/01/860862301.db2.gz ZTBXNSXODASLGY-GDBMZVCRSA-N -1 3 381.444 3.719 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cnccc1C(F)(F)F ZINC000481261145 860872439 /nfs/dbraw/zinc/87/24/39/860872439.db2.gz UNNCMUBAVCUJLH-OCCSQVGLSA-N -1 3 388.386 3.854 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](c2cccc(F)c2)C1)c1cnccc1C(F)(F)F ZINC000481261143 860872573 /nfs/dbraw/zinc/87/25/73/860872573.db2.gz UNNCMUBAVCUJLH-JSGCOSHPSA-N -1 3 388.386 3.854 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000176433448 860875072 /nfs/dbraw/zinc/87/50/72/860875072.db2.gz RZKYDQBRTORUNV-OAHLLOKOSA-N -1 3 392.249 3.965 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@H]3OCCc4ccccc43)nc2)n1 ZINC000896535674 860920769 /nfs/dbraw/zinc/92/07/69/860920769.db2.gz MGCINMXQQJEGDG-LJQANCHMSA-N -1 3 376.460 3.923 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccnc3C)cc2)cc1 ZINC000170975818 860937796 /nfs/dbraw/zinc/93/77/96/860937796.db2.gz FDRUANLTAWGRPH-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM C[C@]1(c2ccccc2)CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640294302 881604501 /nfs/dbraw/zinc/60/45/01/881604501.db2.gz CEQVSXASMNJMDY-INIZCTEOSA-N -1 3 386.805 3.716 20 0 GHADHM CC(C)N(C(=O)COC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000730363540 861073898 /nfs/dbraw/zinc/07/38/98/861073898.db2.gz ATAMGJJLWZHQJY-UHFFFAOYSA-N -1 3 392.249 3.753 20 0 GHADHM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364238 861073979 /nfs/dbraw/zinc/07/39/79/861073979.db2.gz HOUFRABLPROOJW-NSHDSACASA-N -1 3 392.249 3.901 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])c(F)c1 ZINC000730365235 861075236 /nfs/dbraw/zinc/07/52/36/861075236.db2.gz MFYHISKMPNNXEW-JTQLQIEISA-N -1 3 396.212 3.786 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@@H]3OCc3ccccc3)nc2)n1 ZINC000152564702 881616400 /nfs/dbraw/zinc/61/64/00/881616400.db2.gz SEGWFVHLUDWNMG-PMACEKPBSA-N -1 3 390.487 3.944 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc2)cc(=O)[n-]1 ZINC000532261928 881619166 /nfs/dbraw/zinc/61/91/66/881619166.db2.gz QAXYFUOLDKKPMS-WOIUINJBSA-N -1 3 386.455 3.865 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(=O)[n-]1 ZINC000131076969 861178630 /nfs/dbraw/zinc/17/86/30/861178630.db2.gz AYUFETSNFIMJLZ-UHFFFAOYSA-N -1 3 397.862 3.800 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1C ZINC000605496511 863116534 /nfs/dbraw/zinc/11/65/34/863116534.db2.gz WPJAPTXRYWTIPG-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM Cc1noc(C)c1[N-]C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000522745335 863190555 /nfs/dbraw/zinc/19/05/55/863190555.db2.gz RQHCRTSSHIVMRS-UHFFFAOYSA-N -1 3 379.189 3.631 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000522751260 863201535 /nfs/dbraw/zinc/20/15/35/863201535.db2.gz MEHAAELHQVGMQX-GFCCVEGCSA-N -1 3 377.384 3.970 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1csc(Nc2ccccn2)n1 ZINC000605884391 863265232 /nfs/dbraw/zinc/26/52/32/863265232.db2.gz XVLTZSOTKNRBKC-UHFFFAOYSA-N -1 3 397.851 3.973 20 0 GHADHM CC(C)[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281636920 863287792 /nfs/dbraw/zinc/28/77/92/863287792.db2.gz HCHXVFVHFABCCN-QGZVFWFLSA-N -1 3 384.442 3.733 20 0 GHADHM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000733899267 863330025 /nfs/dbraw/zinc/33/00/25/863330025.db2.gz ZUNJAXJYURTNGB-HNNXBMFYSA-N -1 3 396.962 3.619 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120659850 881658981 /nfs/dbraw/zinc/65/89/81/881658981.db2.gz SNZHFZTTWMTPMO-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120659850 881658990 /nfs/dbraw/zinc/65/89/90/881658990.db2.gz SNZHFZTTWMTPMO-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000182969368 863423254 /nfs/dbraw/zinc/42/32/54/863423254.db2.gz WRJVFBIRCVAKHO-AWEZNQCLSA-N -1 3 378.394 3.546 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000606827467 863861054 /nfs/dbraw/zinc/86/10/54/863861054.db2.gz XVKXWURDUZSELC-LJQANCHMSA-N -1 3 375.490 3.854 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000103058252 863877299 /nfs/dbraw/zinc/87/72/99/863877299.db2.gz XWDKSAMMMGLFSR-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000103073565 863884553 /nfs/dbraw/zinc/88/45/53/863884553.db2.gz VRBDMJSQZJHXQN-JTQLQIEISA-N -1 3 391.353 3.620 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000103073565 863884560 /nfs/dbraw/zinc/88/45/60/863884560.db2.gz VRBDMJSQZJHXQN-JTQLQIEISA-N -1 3 391.353 3.620 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000103073565 863884569 /nfs/dbraw/zinc/88/45/69/863884569.db2.gz VRBDMJSQZJHXQN-JTQLQIEISA-N -1 3 391.353 3.620 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1nccs1 ZINC000606911819 863933835 /nfs/dbraw/zinc/93/38/35/863933835.db2.gz BCKHJCLFDJVUBJ-MRXNPFEDSA-N -1 3 379.532 3.870 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1 ZINC000621232601 863934458 /nfs/dbraw/zinc/93/44/58/863934458.db2.gz RHCYUZCYNQDEDP-UHFFFAOYSA-N -1 3 399.447 3.717 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000607169711 864130994 /nfs/dbraw/zinc/13/09/94/864130994.db2.gz LXUZPJCHNBZDPS-KGLIPLIRSA-N -1 3 383.514 3.547 20 0 GHADHM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621465488 864205223 /nfs/dbraw/zinc/20/52/23/864205223.db2.gz CTWACERSWXMUIB-UHFFFAOYSA-N -1 3 392.377 3.575 20 0 GHADHM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000184229916 864230355 /nfs/dbraw/zinc/23/03/55/864230355.db2.gz NRXGZGUTFQUKIO-CMDGGOBGSA-N -1 3 380.853 3.720 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(N)ccc1Br ZINC001237777197 864278230 /nfs/dbraw/zinc/27/82/30/864278230.db2.gz TZNZWDYZCGUQPN-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM CCOc1ccc2ccccc2c1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000184321750 864342977 /nfs/dbraw/zinc/34/29/77/864342977.db2.gz KKRYBEGFIQDULM-UHFFFAOYSA-N -1 3 390.439 3.954 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2csc(-c3ccc(C)o3)n2)[nH][n-]1 ZINC000621654638 864350977 /nfs/dbraw/zinc/35/09/77/864350977.db2.gz ORYWTJSCRQDHCK-UHFFFAOYSA-N -1 3 380.429 3.784 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)COc2ccc(C(C)(C)C)cc2)[nH][n-]1 ZINC000621654735 864351015 /nfs/dbraw/zinc/35/10/15/864351015.db2.gz WVDONHRHTOOUFH-UHFFFAOYSA-N -1 3 379.460 3.822 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[nH][n-]1 ZINC000621654891 864352691 /nfs/dbraw/zinc/35/26/91/864352691.db2.gz OHQHKRZLTJGLCR-ZDUSSCGKSA-N -1 3 385.851 3.875 20 0 GHADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621721030 864381565 /nfs/dbraw/zinc/38/15/65/864381565.db2.gz ZZGPMPGSDCIZHW-QWHCGFSZSA-N -1 3 386.414 3.568 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc4c(nn3)CCC4)cc2)cc1 ZINC000621740858 864394738 /nfs/dbraw/zinc/39/47/38/864394738.db2.gz MDTIOXDUSABSGT-UHFFFAOYSA-N -1 3 381.457 3.867 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc(F)ccc3[O-])CCCC2)c1 ZINC000533963809 864410173 /nfs/dbraw/zinc/41/01/73/864410173.db2.gz CMYGBSYFPSRICG-UHFFFAOYSA-N -1 3 391.464 3.873 20 0 GHADHM Cc1cc(-c2cc(C(=O)[N-]c3nc(C4CC4)no3)c3c(C)noc3n2)c(C)o1 ZINC000734877378 864478493 /nfs/dbraw/zinc/47/84/93/864478493.db2.gz YTOUDWCLLSFEHK-UHFFFAOYSA-N -1 3 379.376 3.921 20 0 GHADHM COc1ccc(C[C@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1OC ZINC000621859361 864490208 /nfs/dbraw/zinc/49/02/08/864490208.db2.gz CSSOGTZONGBVDN-NSHDSACASA-N -1 3 383.366 3.789 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000554534892 864494586 /nfs/dbraw/zinc/49/45/86/864494586.db2.gz HTCHWYFTZODGGJ-GFCCVEGCSA-N -1 3 391.294 3.949 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000621977080 864648788 /nfs/dbraw/zinc/64/87/88/864648788.db2.gz UXFRXJLRSFZKKR-AWEZNQCLSA-N -1 3 384.329 3.629 20 0 GHADHM CN(C(=O)[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000621989318 864674024 /nfs/dbraw/zinc/67/40/24/864674024.db2.gz DFZDNXWGCFSTFR-ZDUSSCGKSA-N -1 3 392.377 3.536 20 0 GHADHM Cc1ccc(OCCC(=O)NCc2ccc([O-])c(F)c2)c(Br)c1 ZINC000156238518 864798023 /nfs/dbraw/zinc/79/80/23/864798023.db2.gz UJUBTEHBLQXBJX-UHFFFAOYSA-N -1 3 382.229 3.688 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1OC ZINC000189290056 881809562 /nfs/dbraw/zinc/80/95/62/881809562.db2.gz KKRJJOQPIQCNBB-UHFFFAOYSA-N -1 3 393.358 3.749 20 0 GHADHM Cc1cccc(CO[N-]C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)n1 ZINC000898931699 864918198 /nfs/dbraw/zinc/91/81/98/864918198.db2.gz AEIXRLHHTCFEIY-UHFFFAOYSA-N -1 3 385.464 3.918 20 0 GHADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000480592148 864928366 /nfs/dbraw/zinc/92/83/66/864928366.db2.gz LYZPWCNNFONTGF-INIZCTEOSA-N -1 3 383.460 3.589 20 0 GHADHM Cc1cc(C=C(C#N)C(=O)NN=c2cccn[n-]2)c(C)n1-c1ccc(Cl)cc1 ZINC000184777465 864934404 /nfs/dbraw/zinc/93/44/04/864934404.db2.gz AXXGCUHBLHJYPJ-LFIBNONCSA-N -1 3 392.850 3.588 20 0 GHADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)n(C)c21 ZINC000475409739 864966169 /nfs/dbraw/zinc/96/61/69/864966169.db2.gz ZUYHEOQDIJLNOX-UHFFFAOYSA-N -1 3 398.315 3.975 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735757059 864968897 /nfs/dbraw/zinc/96/88/97/864968897.db2.gz SGHSLLSGDVIRTG-UHFFFAOYSA-N -1 3 399.838 3.724 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735757059 864968909 /nfs/dbraw/zinc/96/89/09/864968909.db2.gz SGHSLLSGDVIRTG-UHFFFAOYSA-N -1 3 399.838 3.724 20 0 GHADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000480646429 865034468 /nfs/dbraw/zinc/03/44/68/865034468.db2.gz VGTIOSGBMPPCHZ-OAHLLOKOSA-N -1 3 385.888 3.795 20 0 GHADHM CCn1ncc2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000169116799 865059748 /nfs/dbraw/zinc/05/97/48/865059748.db2.gz YQOOOVXYBMUKJG-UHFFFAOYSA-N -1 3 389.253 3.846 20 0 GHADHM CCOc1ccccc1CN1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H](C)C1 ZINC000622581812 865084684 /nfs/dbraw/zinc/08/46/84/865084684.db2.gz CSMBSSRFEBGFEL-HNNXBMFYSA-N -1 3 388.895 3.791 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000827907180 865147600 /nfs/dbraw/zinc/14/76/00/865147600.db2.gz LWGQEYHUZVHGBD-WOJBJXKFSA-N -1 3 375.472 3.848 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736377645 865194626 /nfs/dbraw/zinc/19/46/26/865194626.db2.gz PJSQXFHBEBSMTB-SMDDNHRTSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000736377645 865194633 /nfs/dbraw/zinc/19/46/33/865194633.db2.gz PJSQXFHBEBSMTB-SMDDNHRTSA-N -1 3 389.525 3.729 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736472072 865218070 /nfs/dbraw/zinc/21/80/70/865218070.db2.gz SYJAILFWVWEWMX-UHFFFAOYSA-N -1 3 382.443 3.519 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736472072 865218084 /nfs/dbraw/zinc/21/80/84/865218084.db2.gz SYJAILFWVWEWMX-UHFFFAOYSA-N -1 3 382.443 3.519 20 0 GHADHM CCN(c1ccc(NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000736565403 865239480 /nfs/dbraw/zinc/23/94/80/865239480.db2.gz VXXJLHCGKZEQPQ-UHFFFAOYSA-N -1 3 396.520 3.832 20 0 GHADHM CCN(c1ccc(NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000736565403 865239493 /nfs/dbraw/zinc/23/94/93/865239493.db2.gz VXXJLHCGKZEQPQ-UHFFFAOYSA-N -1 3 396.520 3.832 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ncc(C(F)(F)F)s1 ZINC000554956046 865241299 /nfs/dbraw/zinc/24/12/99/865241299.db2.gz ZBFVTGUZGMSDKQ-UHFFFAOYSA-N -1 3 396.188 3.952 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)s1 ZINC000608359413 865258664 /nfs/dbraw/zinc/25/86/64/865258664.db2.gz AUJMGDPNQJNCIS-SNVBAGLBSA-N -1 3 376.869 3.958 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000736685070 865265633 /nfs/dbraw/zinc/26/56/33/865265633.db2.gz KDVWKYXWPZFMGI-MRXNPFEDSA-N -1 3 382.493 3.946 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000736685070 865265647 /nfs/dbraw/zinc/26/56/47/865265647.db2.gz KDVWKYXWPZFMGI-MRXNPFEDSA-N -1 3 382.493 3.946 20 0 GHADHM CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533973335 865271400 /nfs/dbraw/zinc/27/14/00/865271400.db2.gz CXAHVSNYYGCMSA-INIZCTEOSA-N -1 3 393.846 3.791 20 0 GHADHM Cc1nn2cccnc2c1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000608474476 865350234 /nfs/dbraw/zinc/35/02/34/865350234.db2.gz SVLYWLKGQIAJIM-UHFFFAOYSA-N -1 3 382.474 3.601 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCCOc2cc(Cl)cc(Cl)c2)n1 ZINC000737469713 865397393 /nfs/dbraw/zinc/39/73/93/865397393.db2.gz BSKVBTSAEVMBAA-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCOc2cc(Cl)cc(Cl)c2)n1 ZINC000737469713 865397406 /nfs/dbraw/zinc/39/74/06/865397406.db2.gz BSKVBTSAEVMBAA-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCCC3)CC2)ccc1F ZINC000737992250 865467406 /nfs/dbraw/zinc/46/74/06/865467406.db2.gz CWFYJLQIHJWIGF-UHFFFAOYSA-N -1 3 396.528 3.699 20 0 GHADHM C[C@@H]1CC=C(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000455961303 865493217 /nfs/dbraw/zinc/49/32/17/865493217.db2.gz NNJNFZCQELFXBN-CYBMUJFWSA-N -1 3 376.884 3.969 20 0 GHADHM COc1ccc(-c2noc(CO[N-]C(=O)Cc3cccc4ccccc43)n2)cc1 ZINC000738294693 865522491 /nfs/dbraw/zinc/52/24/91/865522491.db2.gz PVGGWQRARFFGHE-UHFFFAOYSA-N -1 3 389.411 3.689 20 0 GHADHM CCn1ncc(Cl)c1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000856975167 881901708 /nfs/dbraw/zinc/90/17/08/881901708.db2.gz UQEFKWZTXVCRET-MRVPVSSYSA-N -1 3 380.857 3.802 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000739695451 865780072 /nfs/dbraw/zinc/78/00/72/865780072.db2.gz VFRKZOAAPWDZPF-NWDGAFQWSA-N -1 3 399.285 3.787 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1ccc(Cl)nc1Cl ZINC000739977320 865818449 /nfs/dbraw/zinc/81/84/49/865818449.db2.gz QLMVAQCXVZLGBW-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC1(O)CCCC1 ZINC000152437539 866048480 /nfs/dbraw/zinc/04/84/80/866048480.db2.gz BKGYAQLGOPLLKU-UHFFFAOYSA-N -1 3 387.480 3.528 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1n1cccn1 ZINC000456630762 866080970 /nfs/dbraw/zinc/08/09/70/866080970.db2.gz DZADWLIVNVWYPB-RLLQIKCJSA-N -1 3 379.460 3.669 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475506151 866107356 /nfs/dbraw/zinc/10/73/56/866107356.db2.gz GICIXRCAVCXILW-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475506151 866107362 /nfs/dbraw/zinc/10/73/62/866107362.db2.gz GICIXRCAVCXILW-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)c([O-])c1 ZINC000740927639 866111213 /nfs/dbraw/zinc/11/12/13/866111213.db2.gz LLYMCVOTJDTYLA-UHFFFAOYSA-N -1 3 395.868 3.531 20 0 GHADHM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000620034558 866291470 /nfs/dbraw/zinc/29/14/70/866291470.db2.gz RNANUIRKDVNENE-LJQANCHMSA-N -1 3 390.480 3.791 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC3CC3)C3CCC3)cs2)c1 ZINC000478587917 866324356 /nfs/dbraw/zinc/32/43/56/866324356.db2.gz RJEMQXOFKLUDEF-UHFFFAOYSA-N -1 3 399.516 3.743 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3c(F)cccc3Cl)nc2)n1 ZINC000741248808 866339373 /nfs/dbraw/zinc/33/93/73/866339373.db2.gz YQDHSHIEQTZRSV-HNNXBMFYSA-N -1 3 388.830 3.745 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1F ZINC000478689221 866476568 /nfs/dbraw/zinc/47/65/68/866476568.db2.gz SFBHBPJNONCHRM-UHFFFAOYSA-N -1 3 399.415 3.648 20 0 GHADHM CCOc1nc(C)ccc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000478705839 866508620 /nfs/dbraw/zinc/50/86/20/866508620.db2.gz ZBEJQQZXUKOACP-UHFFFAOYSA-N -1 3 378.432 3.766 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)c1 ZINC000534310629 866528297 /nfs/dbraw/zinc/52/82/97/866528297.db2.gz LMTBXGBXYHXBJM-LJQANCHMSA-N -1 3 387.505 3.505 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000553095098 866786136 /nfs/dbraw/zinc/78/61/36/866786136.db2.gz FXSNGECJAMUZPV-ZDUSSCGKSA-N -1 3 396.878 3.604 20 0 GHADHM Cc1c([O-])ccc2c(CN3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)cc(=O)oc12 ZINC000741798890 866820931 /nfs/dbraw/zinc/82/09/31/866820931.db2.gz XIYWHGOXYUGNSV-RNODOKPDSA-N -1 3 383.419 3.908 20 0 GHADHM NC(=O)c1ccc(CN(C(=O)c2cc([O-])c3ccccc3c2)C2CC2)c(F)c1 ZINC000553159955 866919693 /nfs/dbraw/zinc/91/96/93/866919693.db2.gz RHIAXYNKANYYHD-UHFFFAOYSA-N -1 3 378.403 3.588 20 0 GHADHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N1c1ccccc1 ZINC000742014087 866980996 /nfs/dbraw/zinc/98/09/96/866980996.db2.gz PHWUHJNBECVHNN-MLGOLLRUSA-N -1 3 378.806 3.742 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153667597 867013438 /nfs/dbraw/zinc/01/34/38/867013438.db2.gz XOJGTLFPUKBHSP-ABAIWWIYSA-N -1 3 387.402 3.570 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(Cl)cc1 ZINC000742311858 867219621 /nfs/dbraw/zinc/21/96/21/867219621.db2.gz GZVFFANCKWRYIZ-NSHDSACASA-N -1 3 395.695 3.708 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000479164069 867264222 /nfs/dbraw/zinc/26/42/22/867264222.db2.gz MNCHOIZNOOLKSL-MRXNPFEDSA-N 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ZINC000742641953 867449770 /nfs/dbraw/zinc/44/97/70/867449770.db2.gz CSQOTHLKJJSQCK-SNVBAGLBSA-N -1 3 390.383 3.721 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)Cc2ccccc21 ZINC000640296323 882088163 /nfs/dbraw/zinc/08/81/63/882088163.db2.gz MFHWIIRSUSVUKO-UHFFFAOYSA-N -1 3 386.805 3.846 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2c(F)cccc2F)n1 ZINC000523540466 867529465 /nfs/dbraw/zinc/52/94/65/867529465.db2.gz WRJYRBOVHASLEX-UHFFFAOYSA-N -1 3 397.410 3.980 20 0 GHADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1nnc2ccccc2c1[O-] ZINC000742756571 867530221 /nfs/dbraw/zinc/53/02/21/867530221.db2.gz OIOMIUOCUJBURC-LBPRGKRZSA-N -1 3 376.199 3.506 20 0 GHADHM COC1CCC(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000553517849 867578323 /nfs/dbraw/zinc/57/83/23/867578323.db2.gz VCNAVRVFFMXFHS-UHFFFAOYSA-N -1 3 399.406 3.598 20 0 GHADHM Cc1nc(CCC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000737472195 867610001 /nfs/dbraw/zinc/61/00/01/867610001.db2.gz RGYQMXHTBXMNQJ-UHFFFAOYSA-N -1 3 391.456 3.837 20 0 GHADHM Cc1nc(CCC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000737472195 867610036 /nfs/dbraw/zinc/61/00/36/867610036.db2.gz RGYQMXHTBXMNQJ-UHFFFAOYSA-N -1 3 391.456 3.837 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000742969047 867684861 /nfs/dbraw/zinc/68/48/61/867684861.db2.gz MNRWICJQUJEFKS-IBGZPJMESA-N -1 3 384.517 3.555 20 0 GHADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000553576712 867709400 /nfs/dbraw/zinc/70/94/00/867709400.db2.gz HIQVNKZVDDVCOZ-UHFFFAOYSA-N -1 3 398.750 3.834 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000523695123 867797302 /nfs/dbraw/zinc/79/73/02/867797302.db2.gz UGZQTRVHQXMNKX-NSHDSACASA-N -1 3 396.299 3.964 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CCc3ccccc3Br)n[n-]2)o1 ZINC000479445543 867812671 /nfs/dbraw/zinc/81/26/71/867812671.db2.gz MACQTPTYYXJWLQ-UHFFFAOYSA-N -1 3 375.226 3.707 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000523734425 867866878 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CC(=O)c1cc(F)c([N-]C(=O)c2cnc(OCc3ccccc3)cn2)c(F)c1 ZINC000428778513 868334600 /nfs/dbraw/zinc/33/46/00/868334600.db2.gz ALWQNLPECUCYLI-UHFFFAOYSA-N -1 3 383.354 3.789 20 0 GHADHM COCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CC[C@@H](C)C1 ZINC000479688836 868339240 /nfs/dbraw/zinc/33/92/40/868339240.db2.gz QEDREUNZNGWOCX-TZMCWYRMSA-N -1 3 385.302 3.501 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)cc2)n1 ZINC000666938562 882198378 /nfs/dbraw/zinc/19/83/78/882198378.db2.gz PCZRWTUQHYOUSL-WOJBJXKFSA-N -1 3 389.455 3.504 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c([O-])c1 ZINC000059786875 882198525 /nfs/dbraw/zinc/19/85/25/882198525.db2.gz PEVPULJSJAOZBK-UHFFFAOYSA-N -1 3 390.439 3.892 20 0 GHADHM CCOc1c(Cl)cc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000157158684 868576320 /nfs/dbraw/zinc/57/63/20/868576320.db2.gz QCABELFXWWGMGQ-UHFFFAOYSA-N -1 3 382.819 3.591 20 0 GHADHM CCOC(=O)Nc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000744218287 868674085 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C[C@@H]1CCc2sc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)cc2C1 ZINC000648433560 882234039 /nfs/dbraw/zinc/23/40/39/882234039.db2.gz DOIAYLZRUSWBIW-MRVPVSSYSA-N -1 3 377.819 3.959 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000479999830 868884664 /nfs/dbraw/zinc/88/46/64/868884664.db2.gz QUKOGOWPDFXMNX-INIZCTEOSA-N -1 3 395.477 3.588 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1COc1ccccc1Cl)c1ccco1 ZINC000445739312 868916329 /nfs/dbraw/zinc/91/63/29/868916329.db2.gz DJRBMPPZWNYUNA-UHFFFAOYSA-N -1 3 377.849 3.991 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000648438166 882250918 /nfs/dbraw/zinc/25/09/18/882250918.db2.gz WIMZTPKCZPFQGX-UHFFFAOYSA-N -1 3 378.432 3.638 20 0 GHADHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cc(F)ccc1F ZINC000744727194 869030865 /nfs/dbraw/zinc/03/08/65/869030865.db2.gz YJTPAIWCLQKSRF-SJCJKPOMSA-N -1 3 375.371 3.579 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cccc1N1CCOC1=O ZINC000857458478 882274188 /nfs/dbraw/zinc/27/41/88/882274188.db2.gz OQKRTKQFWGASDO-UHFFFAOYSA-N -1 3 380.322 3.928 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000462305898 869210664 /nfs/dbraw/zinc/21/06/64/869210664.db2.gz NOCHDHWSTPOYJQ-KBPBESRZSA-N -1 3 397.846 3.985 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OC)c3ccccc32)o1 ZINC000462318235 869232287 /nfs/dbraw/zinc/23/22/87/869232287.db2.gz XATSCMVFWZZANN-QGZVFWFLSA-N -1 3 389.473 3.670 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000462351827 869280367 /nfs/dbraw/zinc/28/03/67/869280367.db2.gz GRNAJGNXQIHPRE-SDBXPKJASA-N -1 3 379.762 3.731 20 0 GHADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000446099618 869405754 /nfs/dbraw/zinc/40/57/54/869405754.db2.gz KHNWCYGWDDGTDZ-UHFFFAOYSA-N -1 3 388.139 3.905 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)C)c(Br)c1 ZINC000462553599 869665983 /nfs/dbraw/zinc/66/59/83/869665983.db2.gz OVHOGRAAVSQISB-UHFFFAOYSA-N -1 3 399.148 3.844 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1[O-] ZINC000745650363 869719911 /nfs/dbraw/zinc/71/99/11/869719911.db2.gz CACZZVXPQANWOL-UHFFFAOYSA-N -1 3 394.383 3.519 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1cccc(F)c1 ZINC000462714082 869922216 /nfs/dbraw/zinc/92/22/16/869922216.db2.gz JYVLXXWQPZXJJX-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)s1 ZINC000462725136 869948586 /nfs/dbraw/zinc/94/85/86/869948586.db2.gz YBJKXBIDNKQPMO-AKWBHNSASA-N -1 3 399.921 3.864 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)c1 ZINC000539889655 869951627 /nfs/dbraw/zinc/95/16/27/869951627.db2.gz KKSVCRNVBLFJEW-SFHVURJKSA-N -1 3 384.501 3.725 20 0 GHADHM CN1CCCc2cc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)ccc21 ZINC000920756886 882358504 /nfs/dbraw/zinc/35/85/04/882358504.db2.gz HWJXGIGWTKQWIH-UHFFFAOYSA-N -1 3 386.395 3.768 20 0 GHADHM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000011809481 882376692 /nfs/dbraw/zinc/37/66/92/882376692.db2.gz UJORFHAFSMKKEK-SNVBAGLBSA-N -1 3 387.263 3.987 20 0 GHADHM CC(C)[C@@H]1N(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC12CCCC2 ZINC000640299964 882384853 /nfs/dbraw/zinc/38/48/53/882384853.db2.gz YZJCKQNEHMOFQD-LBPRGKRZSA-N -1 3 378.826 3.953 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1Oc1cccnc1 ZINC000476596235 882390053 /nfs/dbraw/zinc/39/00/53/882390053.db2.gz LPJULTSZXRXQTJ-UHFFFAOYSA-N -1 3 384.413 3.712 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cl)c(F)c3F)c2)o1 ZINC001192265204 870249321 /nfs/dbraw/zinc/24/93/21/870249321.db2.gz DCRYBAHJAMIEDR-UHFFFAOYSA-N -1 3 385.779 3.777 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)c([O-])c1 ZINC001192322631 870286722 /nfs/dbraw/zinc/28/67/22/870286722.db2.gz HJOJZHXRGWXWII-UHFFFAOYSA-N -1 3 378.476 3.528 20 0 GHADHM CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[O-] ZINC001192405863 870375315 /nfs/dbraw/zinc/37/53/15/870375315.db2.gz NYVYZRHZHYSYGG-UHFFFAOYSA-N -1 3 396.940 3.578 20 0 GHADHM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000193226430 870467037 /nfs/dbraw/zinc/46/70/37/870467037.db2.gz ORPYLAWQXMNNOQ-UHFFFAOYSA-N -1 3 397.258 3.896 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC)c2ccccc2F)c1 ZINC001212329462 870574047 /nfs/dbraw/zinc/57/40/47/870574047.db2.gz RMDYQVDABQDOET-MRXNPFEDSA-N -1 3 383.416 3.571 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3cccc(Nc4ccccc4)c3)cc2n(C)c1=O ZINC000461614926 870594005 /nfs/dbraw/zinc/59/40/05/870594005.db2.gz CHJRAEFPQRYYLG-UHFFFAOYSA-N -1 3 388.427 3.579 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461615422 870595302 /nfs/dbraw/zinc/59/53/02/870595302.db2.gz AOZXDQGKYDKLBW-UHFFFAOYSA-N -1 3 395.484 3.975 20 0 GHADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1Cl ZINC000446867297 870613256 /nfs/dbraw/zinc/61/32/56/870613256.db2.gz SQHVKBWABNAKNG-LURJTMIESA-N -1 3 382.173 3.691 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001192766366 870652923 /nfs/dbraw/zinc/65/29/23/870652923.db2.gz IBGASISGHWNCJM-UHFFFAOYSA-N -1 3 398.033 3.847 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001192766366 870652931 /nfs/dbraw/zinc/65/29/31/870652931.db2.gz IBGASISGHWNCJM-UHFFFAOYSA-N -1 3 398.033 3.847 20 0 GHADHM O=C([N-]c1c(Cl)cnnc1Cl)c1ccc(Cl)nc1OC(F)(F)F ZINC001192855336 870734496 /nfs/dbraw/zinc/73/44/96/870734496.db2.gz GISHHGKYFSPYNN-UHFFFAOYSA-N -1 3 387.532 3.983 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(OC(C)C)cc1)c1ccco1 ZINC000540207205 870765490 /nfs/dbraw/zinc/76/54/90/870765490.db2.gz CQSQMKUQAKDIDQ-SFHVURJKSA-N -1 3 381.494 3.759 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CC1)c1cnccc1Cl ZINC001192921484 870787391 /nfs/dbraw/zinc/78/73/91/870787391.db2.gz OEDCTISLHLITTM-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)c1cnccc1Cl ZINC001192925694 870791000 /nfs/dbraw/zinc/79/10/00/870791000.db2.gz XMSUSEMUPMCJRO-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001193153126 870923307 /nfs/dbraw/zinc/92/33/07/870923307.db2.gz OFHPJLFPDOANJB-GFCCVEGCSA-N -1 3 397.219 3.815 20 0 GHADHM O=C(NCCc1c[nH]c2cccc(Cl)c12)c1ccc(Br)c(=O)[n-]1 ZINC001193161678 870928221 /nfs/dbraw/zinc/92/82/21/870928221.db2.gz PEBUJEPLBXGHHU-UHFFFAOYSA-N -1 3 394.656 3.657 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc([N-]S(=O)(=O)C[C@H]2CCCO2)ccc1Cl ZINC001193280749 871001801 /nfs/dbraw/zinc/00/18/01/871001801.db2.gz SISQOIHLDHXFIL-GFCCVEGCSA-N -1 3 390.889 3.608 20 0 GHADHM O=S(=O)(c1ccccc1Nc1cccc([O-])c1Br)N1CCCC1 ZINC001193292552 871009646 /nfs/dbraw/zinc/00/96/46/871009646.db2.gz WWHNGLNBZDYLHK-UHFFFAOYSA-N -1 3 397.294 3.683 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001168939297 871023816 /nfs/dbraw/zinc/02/38/16/871023816.db2.gz OLNOLVGHKCHWKN-UHFFFAOYSA-N -1 3 384.436 3.526 20 0 GHADHM COc1ccc(-n2nnc(C(=O)[N-]c3nnc(C4CCCCC4)s3)c2C)cc1 ZINC000030571934 871103976 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GHADHM CC(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000525769357 871405919 /nfs/dbraw/zinc/40/59/19/871405919.db2.gz QSHKONSPKOPPHF-MRXNPFEDSA-N -1 3 390.361 3.716 20 0 GHADHM O=C([N-]CC1CCN(CCc2c(Cl)cccc2Cl)CC1)C(F)(F)F ZINC001193942670 871422876 /nfs/dbraw/zinc/42/28/76/871422876.db2.gz OLMVADPQIORNKA-UHFFFAOYSA-N -1 3 383.241 3.926 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@H]1CCC2(CCCCC2)O1 ZINC000640301487 882510088 /nfs/dbraw/zinc/51/00/88/882510088.db2.gz ICWVWVWONIRPPV-LLVKDONJSA-N -1 3 394.825 3.524 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000122341770 882513961 /nfs/dbraw/zinc/51/39/61/882513961.db2.gz DBSAMXSOSQMZOO-DYVFJYSZSA-N -1 3 396.340 3.708 20 0 GHADHM COc1cccc([N-]S(=O)(=O)Cc2noc3ccccc32)c1Br ZINC001194093013 871500931 /nfs/dbraw/zinc/50/09/31/871500931.db2.gz PTJJFVIGJLVAIL-UHFFFAOYSA-N -1 3 397.250 3.541 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921006570 882524270 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GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C)[C@@H](C)C3)nc(=O)c2c1C ZINC000253556551 871881180 /nfs/dbraw/zinc/88/11/80/871881180.db2.gz UYEVVKDKTVWHNV-GVXVVHGQSA-N -1 3 377.510 3.921 20 0 GHADHM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000618780561 871976922 /nfs/dbraw/zinc/97/69/22/871976922.db2.gz KHLQTTOWHGEVEE-INIZCTEOSA-N -1 3 387.867 3.705 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCO[C@H](CC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000540723304 872003972 /nfs/dbraw/zinc/00/39/72/872003972.db2.gz KSSBVVQXSJQOMR-QZTJIDSGSA-N -1 3 384.480 3.873 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(C)c(Cl)c3)c2)[n-]1 ZINC000447673858 872074931 /nfs/dbraw/zinc/07/49/31/872074931.db2.gz WRRPANCPZICOOP-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(C)c(Cl)c3)c2)n[n-]1 ZINC000447673858 872074953 /nfs/dbraw/zinc/07/49/53/872074953.db2.gz WRRPANCPZICOOP-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cccc(Cl)c3C)c2)[n-]1 ZINC000447678614 872086190 /nfs/dbraw/zinc/08/61/90/872086190.db2.gz ALQNUOWHPPQBDJ-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cccc(Cl)c3C)c2)n[n-]1 ZINC000447678614 872086208 /nfs/dbraw/zinc/08/62/08/872086208.db2.gz ALQNUOWHPPQBDJ-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3nccnc32)c1Br ZINC001194988839 872090624 /nfs/dbraw/zinc/09/06/24/872090624.db2.gz ZQLCTUZHNCREPG-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM O=C(c1cc(F)cc(Cl)c1[O-])N1CCN(c2ccnc3ccccc32)CC1 ZINC000552149570 872139596 /nfs/dbraw/zinc/13/95/96/872139596.db2.gz WGOSOGYLEOPRFQ-UHFFFAOYSA-N -1 3 385.826 3.695 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(F)(F)F ZINC000402239662 872208028 /nfs/dbraw/zinc/20/80/28/872208028.db2.gz CYTLBCQEVRZTGF-MRVPVSSYSA-N -1 3 392.212 3.845 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1Br ZINC001195276673 872301916 /nfs/dbraw/zinc/30/19/16/872301916.db2.gz UCUAXCGBESQQGQ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1ccnc(Br)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195277092 872303285 /nfs/dbraw/zinc/30/32/85/872303285.db2.gz DGTQOTTUOWBRHR-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cc(F)ccc2I)c1[O-] ZINC000552285945 872348662 /nfs/dbraw/zinc/34/86/62/872348662.db2.gz GTTJEMXLIZUESN-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1[O-] ZINC000552287214 872351068 /nfs/dbraw/zinc/35/10/68/872351068.db2.gz LMWJHZMGHMCVRJ-UHFFFAOYSA-N -1 3 376.412 3.507 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1csc(-c2ccc(Cl)s2)n1 ZINC000552274241 872370259 /nfs/dbraw/zinc/37/02/59/872370259.db2.gz IFEGPXDDCATMFT-UHFFFAOYSA-N -1 3 389.687 3.685 20 0 GHADHM COc1ccc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC3(CCC3)C2)cc1 ZINC000507539690 872389573 /nfs/dbraw/zinc/38/95/73/872389573.db2.gz WWQOOGYIFKEELC-UHFFFAOYSA-N -1 3 380.370 3.673 20 0 GHADHM COc1ccc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC3(CCC3)C2)cc1 ZINC000507539690 872389591 /nfs/dbraw/zinc/38/95/91/872389591.db2.gz WWQOOGYIFKEELC-UHFFFAOYSA-N -1 3 380.370 3.673 20 0 GHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000447871584 872403710 /nfs/dbraw/zinc/40/37/10/872403710.db2.gz LFARIJVXBQTVGM-WRWORJQWSA-N -1 3 379.322 3.682 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C2CC2)s1 ZINC000447873657 872500982 /nfs/dbraw/zinc/50/09/82/872500982.db2.gz IJBAFWYPRLRULO-ZDUSSCGKSA-N -1 3 392.424 3.622 20 0 GHADHM O=C(NCc1cccc2cc[nH]c21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000527047979 872530191 /nfs/dbraw/zinc/53/01/91/872530191.db2.gz VKSQDWPIQMYXTQ-UHFFFAOYSA-N -1 3 396.244 3.702 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cc(F)c(CO)c(F)c1 ZINC001195608159 872534004 /nfs/dbraw/zinc/53/40/04/872534004.db2.gz ONUDTUNRUULEPS-UHFFFAOYSA-N -1 3 395.745 3.896 20 0 GHADHM CCCN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H](C)C(=O)Nc1ccccc1 ZINC000182571545 872563621 /nfs/dbraw/zinc/56/36/21/872563621.db2.gz AGOMHVCQGVOUCI-OAHLLOKOSA-N -1 3 380.444 3.738 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000552461508 872667994 /nfs/dbraw/zinc/66/79/94/872667994.db2.gz HVPPHTGMJGURRL-UHFFFAOYSA-N -1 3 389.864 3.652 20 0 GHADHM O=S(=O)(NCC1(Cc2cccnc2)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195835305 872703905 /nfs/dbraw/zinc/70/39/05/872703905.db2.gz KPXUTQUREMIHMO-UHFFFAOYSA-N -1 3 396.459 3.504 20 0 GHADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000448013772 872709606 /nfs/dbraw/zinc/70/96/06/872709606.db2.gz XUPFKVRYSWZALO-INIZCTEOSA-N -1 3 399.545 3.647 20 0 GHADHM CSc1[n-]nc(NC(=O)c2ccc(-c3ccc4[nH]ccc4c3)cc2)c1C(N)=O ZINC001195868139 872725517 /nfs/dbraw/zinc/72/55/17/872725517.db2.gz KLCLUYWGWZBIKA-UHFFFAOYSA-N -1 3 391.456 3.631 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000794217096 882658492 /nfs/dbraw/zinc/65/84/92/882658492.db2.gz DHIGYNVISXQYPZ-DHZHZOJOSA-N -1 3 379.460 3.532 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c1Cl ZINC001196387981 873068109 /nfs/dbraw/zinc/06/81/09/873068109.db2.gz XPMUVLNNEMRLIP-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=C(NCc1ccccc1C1CC1)c1cc([O-])cc(I)c1 ZINC001196428360 873109073 /nfs/dbraw/zinc/10/90/73/873109073.db2.gz KXOFSODBSAHEBX-UHFFFAOYSA-N -1 3 393.224 3.804 20 0 GHADHM CC(C)(C)CC(C)(C)NC(=O)c1cc([O-])cc(I)c1 ZINC001196429039 873110573 /nfs/dbraw/zinc/11/05/73/873110573.db2.gz VHYOSMWCEFINPQ-UHFFFAOYSA-N -1 3 375.250 3.941 20 0 GHADHM CC(C)(NC(=O)c1cc([O-])cc(I)c1)c1cccc(F)c1 ZINC001196429235 873110664 /nfs/dbraw/zinc/11/06/64/873110664.db2.gz XCKROUWMQDFGBR-UHFFFAOYSA-N -1 3 399.203 3.801 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC[C@H]2CCCO2)CC1 ZINC000176400245 882688383 /nfs/dbraw/zinc/68/83/83/882688383.db2.gz GHEGSESELOKCCG-OAQYLSRUSA-N -1 3 395.499 3.783 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000527482984 873183009 /nfs/dbraw/zinc/18/30/09/873183009.db2.gz UZBGSFQOPQOKAF-POAQFYNOSA-N -1 3 396.462 3.588 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC001196699092 873308857 /nfs/dbraw/zinc/30/88/57/873308857.db2.gz GTTAZGGWTSEFNP-GOSISDBHSA-N -1 3 397.475 3.789 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC001196789665 873361376 /nfs/dbraw/zinc/36/13/76/873361376.db2.gz XSTXKIXQVOILER-SNVBAGLBSA-N -1 3 393.358 3.772 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000464204571 873392075 /nfs/dbraw/zinc/39/20/75/873392075.db2.gz IBUBMYKWAWWPBV-UHFFFAOYSA-N -1 3 378.664 3.808 20 0 GHADHM CC(C)(C)SCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628065 882720477 /nfs/dbraw/zinc/72/04/77/882720477.db2.gz SZKWRWLRZWQECW-UHFFFAOYSA-N -1 3 384.929 3.754 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1Cl ZINC001197039679 873533157 /nfs/dbraw/zinc/53/31/57/873533157.db2.gz IFBMDPDKISDWFN-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC001197031051 873553943 /nfs/dbraw/zinc/55/39/43/873553943.db2.gz LQWCSQBCRPAVEP-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc([O-])cc(Br)c1 ZINC000527831476 873647064 /nfs/dbraw/zinc/64/70/64/873647064.db2.gz RJIDOSQCPRFUEM-QGZVFWFLSA-N -1 3 392.249 3.965 20 0 GHADHM CCCCCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(OC)c2)cc1 ZINC001197385094 873756663 /nfs/dbraw/zinc/75/66/63/873756663.db2.gz AUXJDXVHYAFMLC-UHFFFAOYSA-N -1 3 391.489 3.984 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)OCCc3ccccc3)c2)n1 ZINC000448725858 873822493 /nfs/dbraw/zinc/82/24/93/873822493.db2.gz QHOLGYZNFIRHDB-INIZCTEOSA-N -1 3 391.471 3.998 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1cccnc1-n1cccn1 ZINC001197495145 873868107 /nfs/dbraw/zinc/86/81/07/873868107.db2.gz MRFGESBTGKADIX-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nc(C(F)(F)F)ccc1Cl ZINC001197573143 873878378 /nfs/dbraw/zinc/87/83/78/873878378.db2.gz VDQVNSIQLQMTND-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM Cc1oc(-c2ccco2)nc1CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744218442 873890393 /nfs/dbraw/zinc/89/03/93/873890393.db2.gz ZWSFXOYFMWBBJU-UHFFFAOYSA-N -1 3 391.383 3.862 20 0 GHADHM CCCCc1nc(NC(=O)c2cnnc(-c3ccccc3)c2)c(C(=O)OCC)[n-]1 ZINC000464475772 873924740 /nfs/dbraw/zinc/92/47/40/873924740.db2.gz QCRMVGJXRPLFMJ-UHFFFAOYSA-N -1 3 393.447 3.638 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001197598873 873933332 /nfs/dbraw/zinc/93/33/32/873933332.db2.gz KQSSYGMEKWEOBD-UHFFFAOYSA-N -1 3 386.326 3.915 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cccnc1-c1ccccn1 ZINC001197649868 873947403 /nfs/dbraw/zinc/94/74/03/873947403.db2.gz UNUFLXKHECFNJU-UHFFFAOYSA-N -1 3 377.828 3.878 20 0 GHADHM NC(=S)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC001197722966 874007756 /nfs/dbraw/zinc/00/77/56/874007756.db2.gz HXQPSQRNEAUYET-UHFFFAOYSA-N -1 3 378.453 3.858 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000476635503 882786727 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CCOC(=O)c1ncc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)[n-]1 ZINC001197865881 874104350 /nfs/dbraw/zinc/10/43/50/874104350.db2.gz GYQCXYGTRUMNGH-UHFFFAOYSA-N -1 3 385.342 3.560 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)c[n-]1 ZINC001197865881 874104353 /nfs/dbraw/zinc/10/43/53/874104353.db2.gz GYQCXYGTRUMNGH-UHFFFAOYSA-N -1 3 385.342 3.560 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000134230608 882798566 /nfs/dbraw/zinc/79/85/66/882798566.db2.gz KWDSFYRFAVLJKV-UHFFFAOYSA-N -1 3 399.834 3.897 20 0 GHADHM CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccc([O-])c(F)c2)C[C@H]2CCCC[C@@H]21 ZINC000769559855 874159022 /nfs/dbraw/zinc/15/90/22/874159022.db2.gz CPYALRFEAWNQSN-PVAVHDDUSA-N -1 3 392.471 3.716 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769597109 874172335 /nfs/dbraw/zinc/17/23/35/874172335.db2.gz HPLGXIIKZNKRGA-GOSISDBHSA-N -1 3 390.842 3.934 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c(Br)c1 ZINC001198073355 874197585 /nfs/dbraw/zinc/19/75/85/874197585.db2.gz IPGHMMVJNJLKKD-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000541761224 874226496 /nfs/dbraw/zinc/22/64/96/874226496.db2.gz SXUWPMTUTDOXGZ-SFHVURJKSA-N -1 3 393.480 3.599 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769695097 874236931 /nfs/dbraw/zinc/23/69/31/874236931.db2.gz XDLCGEBQKVISDZ-UHFFFAOYSA-N -1 3 376.497 3.987 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)c(F)cc1F)c1ccc2nccnc2c1 ZINC001198148973 874248097 /nfs/dbraw/zinc/24/80/97/874248097.db2.gz ZFZVFVGZXQEWIB-UHFFFAOYSA-N -1 3 389.305 3.728 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1cccc(F)c1)c1cccc(Cl)n1 ZINC001198259785 874290894 /nfs/dbraw/zinc/29/08/94/874290894.db2.gz MUVIFCJBLXIKKD-MRXNPFEDSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(Br)cccc2C(F)(F)F)cn1 ZINC001198321061 874351867 /nfs/dbraw/zinc/35/18/67/874351867.db2.gz LNFWZWUIUDAYNT-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000769929441 874372098 /nfs/dbraw/zinc/37/20/98/874372098.db2.gz VVEVMYDLCMXLBN-HNNXBMFYSA-N -1 3 382.435 3.517 20 0 GHADHM COc1cccc2c1OC[C@H]2[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198488313 874435107 /nfs/dbraw/zinc/43/51/07/874435107.db2.gz NPXKJNFPZAEIHJ-QGZVFWFLSA-N -1 3 397.452 3.900 20 0 GHADHM CC(C)Oc1ccnc(C[N-]S(=O)(=O)c2ccccc2Oc2ccccc2)n1 ZINC001198488584 874436701 /nfs/dbraw/zinc/43/67/01/874436701.db2.gz USAUGZOSYPJDBT-UHFFFAOYSA-N -1 3 399.472 3.535 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1ccccn1)c1ccccc1Oc1ccccc1 ZINC001198488966 874436720 /nfs/dbraw/zinc/43/67/20/874436720.db2.gz CONINKOCFWFVAD-UHFFFAOYSA-N -1 3 390.411 3.944 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccco1 ZINC000541914061 874517424 /nfs/dbraw/zinc/51/74/24/874517424.db2.gz IHWOKCBMSCDCEM-IBGZPJMESA-N -1 3 375.421 3.804 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H](C2CCCCC2)C(F)(F)F)ccc1F ZINC000770223553 874532045 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CCc1cc2c(CN[C@@H](C)c3ccc(OC)cc3OC)cc(=O)oc2cc1[O-] ZINC000528672784 874866577 /nfs/dbraw/zinc/86/65/77/874866577.db2.gz LHZVBPVDMNPBLG-ZDUSSCGKSA-N -1 3 383.444 3.929 20 0 GHADHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2)c1 ZINC000130171800 874969766 /nfs/dbraw/zinc/96/97/66/874969766.db2.gz LROQJLYMCVBDQN-HNNXBMFYSA-N -1 3 382.782 3.626 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000528796702 875069801 /nfs/dbraw/zinc/06/98/01/875069801.db2.gz GKGBPPCSJWBMNP-DZGCQCFKSA-N -1 3 396.306 3.945 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000775999434 875094265 /nfs/dbraw/zinc/09/42/65/875094265.db2.gz DFJJLIQTGQKCGI-CQSZACIVSA-N -1 3 375.856 3.911 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Cl)ccc2OC(F)F)c1 ZINC000122989415 882896203 /nfs/dbraw/zinc/89/62/03/882896203.db2.gz RGNFDRQHMMEKCN-UHFFFAOYSA-N -1 3 384.766 3.535 20 0 GHADHM Cc1c(Cl)onc1C(=O)[N-]c1sc2c(c1C(=O)OC(C)(C)C)CCOC2 ZINC001199672066 875115134 /nfs/dbraw/zinc/11/51/34/875115134.db2.gz YRQZCLMTPNSJBM-UHFFFAOYSA-N -1 3 398.868 3.978 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2ccc(F)cc2F)CCCC1 ZINC000134496554 882912219 /nfs/dbraw/zinc/91/22/19/882912219.db2.gz CRJFSOWTDJOEHT-UHFFFAOYSA-N -1 3 383.402 3.519 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccc(F)cc2F)CCCC1 ZINC000134496554 882912231 /nfs/dbraw/zinc/91/22/31/882912231.db2.gz CRJFSOWTDJOEHT-UHFFFAOYSA-N -1 3 383.402 3.519 20 0 GHADHM O=C1[N-]C(=O)/C(=C\c2ccc3ccc(Br)cc3n2)c2ccccc21 ZINC000771518150 875309133 /nfs/dbraw/zinc/30/91/33/875309133.db2.gz NPMRVBQRFMOSEA-YBEGLDIGSA-N -1 3 379.213 3.808 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)c(=O)[n-]1 ZINC000465263777 875401288 /nfs/dbraw/zinc/40/12/88/875401288.db2.gz SGWMRLJDHMBDQR-IBGZPJMESA-N -1 3 399.535 3.958 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c(=O)[n-]1 ZINC000542358883 875424726 /nfs/dbraw/zinc/42/47/26/875424726.db2.gz JZZDJTYIRSUDNS-UHFFFAOYSA-N -1 3 389.868 3.513 20 0 GHADHM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([O-])cc(Br)c1 ZINC000529021469 875464528 /nfs/dbraw/zinc/46/45/28/875464528.db2.gz DKXPXKPTDXJNCI-RDJZCZTQSA-N -1 3 394.240 3.944 20 0 GHADHM COc1ccc(NC(=S)Nc2c([O-])cccc2Br)cc1OC ZINC001201063901 875469400 /nfs/dbraw/zinc/46/94/00/875469400.db2.gz XLPKBBJLCLPQDY-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCCCOCCc2ccccc2)cc1F ZINC000475739032 882936949 /nfs/dbraw/zinc/93/69/49/882936949.db2.gz LIXNJCDMLYFGAR-UHFFFAOYSA-N -1 3 383.460 3.591 20 0 GHADHM CSc1ccc(NC(=S)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)cc1 ZINC001201183914 875548943 /nfs/dbraw/zinc/54/89/43/875548943.db2.gz HCEXCHINHPTQOI-AWEZNQCLSA-N -1 3 395.550 3.621 20 0 GHADHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201282510 875589354 /nfs/dbraw/zinc/58/93/54/875589354.db2.gz IEFGKATYWWLGJH-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM Cc1ccc(COc2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)cc1 ZINC000772020155 875641948 /nfs/dbraw/zinc/64/19/48/875641948.db2.gz KLWJZQCUOKHSKW-INIZCTEOSA-N -1 3 378.350 3.951 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201363822 875642273 /nfs/dbraw/zinc/64/22/73/875642273.db2.gz ZLFPYVWZRLEMCD-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)CCC2 ZINC000776166698 875680523 /nfs/dbraw/zinc/68/05/23/875680523.db2.gz BBGODAMTULYMPZ-CQSZACIVSA-N -1 3 381.402 3.824 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)ccc1C ZINC001201616282 875791517 /nfs/dbraw/zinc/79/15/17/875791517.db2.gz HMAAEYPQDGOLAS-UHFFFAOYSA-N -1 3 397.456 3.942 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCC2)c1cccc(F)c1Br ZINC001201770466 875852509 /nfs/dbraw/zinc/85/25/09/875852509.db2.gz LEORNBOPFVVOQF-UHFFFAOYSA-N -1 3 384.270 3.555 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)c(C)c1C ZINC000475742804 882976721 /nfs/dbraw/zinc/97/67/21/882976721.db2.gz BPSVANFUVOEJKW-UHFFFAOYSA-N -1 3 386.477 3.590 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529254415 875934822 /nfs/dbraw/zinc/93/48/22/875934822.db2.gz DJFUMAXYPQGLDO-HSHDSVGOSA-N -1 3 382.298 3.556 20 0 GHADHM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000772431940 875956675 /nfs/dbraw/zinc/95/66/75/875956675.db2.gz DKZORBUDBKXJGF-LBPRGKRZSA-N -1 3 386.901 3.727 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000303762704 875984801 /nfs/dbraw/zinc/98/48/01/875984801.db2.gz FMKYOUBKBJEQTN-SFHVURJKSA-N -1 3 394.515 3.994 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000179524769 883006171 /nfs/dbraw/zinc/00/61/71/883006171.db2.gz JRZHPAAOOBOECV-RNODOKPDSA-N -1 3 391.427 3.774 20 0 GHADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC000777020011 883018860 /nfs/dbraw/zinc/01/88/60/883018860.db2.gz SRBCGGQXPXELTM-SSDOTTSWSA-N -1 3 393.068 3.870 20 0 GHADHM CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786032920 876419785 /nfs/dbraw/zinc/41/97/85/876419785.db2.gz XLEHSCQWXWKKLC-NSHDSACASA-N -1 3 380.356 3.894 20 0 GHADHM O=C(O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc2occc2[n-]1 ZINC000786032854 876420051 /nfs/dbraw/zinc/42/00/51/876420051.db2.gz XAWSUZPMFNWZHA-HNNXBMFYSA-N -1 3 390.342 3.715 20 0 GHADHM CC(=O)OCCCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000786097108 876442056 /nfs/dbraw/zinc/44/20/56/876442056.db2.gz TVRXJZXYRDOIQK-UHFFFAOYSA-N -1 3 391.489 3.770 20 0 GHADHM COc1ccccc1N1CC[C@@H](OC(=O)c2cc3sccc3c([O-])c2)C1=O ZINC000786131923 876498656 /nfs/dbraw/zinc/49/86/56/876498656.db2.gz SQVXUUYKGXXGPA-QGZVFWFLSA-N -1 3 383.425 3.578 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001129613798 883038827 /nfs/dbraw/zinc/03/88/27/883038827.db2.gz VUDABXKUQMOVBM-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001129613798 883038846 /nfs/dbraw/zinc/03/88/46/883038846.db2.gz VUDABXKUQMOVBM-UHFFFAOYSA-N -1 3 385.708 3.930 20 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20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000787119058 877161062 /nfs/dbraw/zinc/16/10/62/877161062.db2.gz NFAXZMVWFPUYBL-GOEBONIOSA-N -1 3 376.497 3.720 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c1 ZINC000530135095 877183480 /nfs/dbraw/zinc/18/34/80/877183480.db2.gz VRNNTNQNXGZEPJ-SFHVURJKSA-N -1 3 394.468 3.694 20 0 GHADHM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000609984961 877250108 /nfs/dbraw/zinc/25/01/08/877250108.db2.gz AMBITZODLAVWDQ-UHFFFAOYSA-N -1 3 375.490 3.827 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1cc(Cl)ccc1F ZINC000551476884 877286203 /nfs/dbraw/zinc/28/62/03/877286203.db2.gz CJAPHFHYZYRQGR-OAHLLOKOSA-N -1 3 386.876 3.578 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451068893 877328118 /nfs/dbraw/zinc/32/81/18/877328118.db2.gz RFUIAHNTNLZEFC-ZDUSSCGKSA-N -1 3 392.424 3.626 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000174963770 877370745 /nfs/dbraw/zinc/37/07/45/877370745.db2.gz SCYVCBJRPYIFEI-UHFFFAOYSA-N -1 3 399.447 3.771 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1nc(Cc2ccccc2)no1 ZINC000175708803 877479652 /nfs/dbraw/zinc/47/96/52/877479652.db2.gz XJTUTEMBXIQYGN-OAHLLOKOSA-N -1 3 395.484 3.628 20 0 GHADHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000615239064 877496301 /nfs/dbraw/zinc/49/63/01/877496301.db2.gz XQEZLNVINOWPFR-UHFFFAOYSA-N -1 3 393.814 3.888 20 0 GHADHM C[C@]1(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1(F)F ZINC000851267124 877553912 /nfs/dbraw/zinc/55/39/12/877553912.db2.gz VITRBRRTMCPBKP-QGZVFWFLSA-N -1 3 399.390 3.829 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030375990 877557383 /nfs/dbraw/zinc/55/73/83/877557383.db2.gz JTHAXSCQAJNXQJ-CJNGLKHVSA-N -1 3 384.517 3.553 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2CCC(C(C)C)CC2)cc1OC ZINC000477406607 877574866 /nfs/dbraw/zinc/57/48/66/877574866.db2.gz QYJXERUUWJWXDR-UHFFFAOYSA-N -1 3 397.541 3.793 20 0 GHADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1ccc(Cl)cc1F ZINC000615281543 877591260 /nfs/dbraw/zinc/59/12/60/877591260.db2.gz ZJCRVNFROMEEDA-UHFFFAOYSA-N -1 3 385.888 3.797 20 0 GHADHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000787846612 877664347 /nfs/dbraw/zinc/66/43/47/877664347.db2.gz WYJYRTWYXKDMFO-UHFFFAOYSA-N -1 3 383.778 3.828 20 0 GHADHM Cc1ccc(CN(C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000787845294 877664621 /nfs/dbraw/zinc/66/46/21/877664621.db2.gz ORHFGJJCQFAURD-UHFFFAOYSA-N -1 3 399.462 3.897 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000615357953 877664710 /nfs/dbraw/zinc/66/47/10/877664710.db2.gz BXHOMFTUYUXEKD-UHFFFAOYSA-N -1 3 375.465 3.775 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847158 877667886 /nfs/dbraw/zinc/66/78/86/877667886.db2.gz YESZCSVPDNQXKA-CQSZACIVSA-N -1 3 389.423 3.741 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849606 877669979 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CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1OC ZINC000176081537 878070010 /nfs/dbraw/zinc/07/00/10/878070010.db2.gz XHQICFLEKDKGOE-FNORWQNLSA-N -1 3 392.452 3.638 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CCOC(C)=O)c2)cc1Cl ZINC000788493145 878099889 /nfs/dbraw/zinc/09/98/89/878099889.db2.gz OFUQELMHWJMACA-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCc2cccc(Cl)c2Cl)cc1OC ZINC000788503782 878110590 /nfs/dbraw/zinc/11/05/90/878110590.db2.gz YGAYZDNOLNICCL-UHFFFAOYSA-N -1 3 384.259 3.844 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C)c(C)c1Cl ZINC000788664487 878258330 /nfs/dbraw/zinc/25/83/30/878258330.db2.gz WTKDOGGEYWYAHM-SECBINFHSA-N -1 3 399.987 3.553 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)c([O-])c1 ZINC000537767992 878267434 /nfs/dbraw/zinc/26/74/34/878267434.db2.gz KLWPMFNEJQLENT-UHFFFAOYSA-N -1 3 389.477 3.765 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C[N-]C(=O)C(F)(F)OCC(F)(F)F ZINC001183194653 912343968 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GHADHM COc1cccc(C2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)c1 ZINC000493224818 878862526 /nfs/dbraw/zinc/86/25/26/878862526.db2.gz FJCDXWIRFCWFJG-UHFFFAOYSA-N -1 3 398.409 3.835 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460973103 878894286 /nfs/dbraw/zinc/89/42/86/878894286.db2.gz UPZFJTQJLHIQCD-UHFFFAOYSA-N -1 3 378.276 3.903 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460973103 878894296 /nfs/dbraw/zinc/89/42/96/878894296.db2.gz UPZFJTQJLHIQCD-UHFFFAOYSA-N -1 3 378.276 3.903 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Br)cc2F)c(=O)[n-]1 ZINC000285721995 912406802 /nfs/dbraw/zinc/40/68/02/912406802.db2.gz HRRKEFVYTQUHSB-SECBINFHSA-N -1 3 396.260 3.511 20 0 GHADHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@]2(CCOC2)C1 ZINC000180615486 879085059 /nfs/dbraw/zinc/08/50/59/879085059.db2.gz CLZYYMCTSGJUHU-AWEZNQCLSA-N -1 3 391.103 3.530 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616825559 879131448 /nfs/dbraw/zinc/13/14/48/879131448.db2.gz ZCGYJZHLLQVKMA-OAHLLOKOSA-N -1 3 381.398 3.909 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616826137 879133061 /nfs/dbraw/zinc/13/30/61/879133061.db2.gz IHMCUGNXKLBQAQ-HXUWFJFHSA-N -1 3 377.444 3.823 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000616906895 879182120 /nfs/dbraw/zinc/18/21/20/879182120.db2.gz BXBUDRPIHCXQCY-QFIPXVFZSA-N -1 3 390.483 3.942 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c(F)c1 ZINC000531162205 879243141 /nfs/dbraw/zinc/24/31/41/879243141.db2.gz MWTNWAHERSUWOH-UHFFFAOYSA-N -1 3 384.388 3.625 20 0 GHADHM CCCCc1nc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c(C(=O)OCC)[n-]1 ZINC000616916441 879264085 /nfs/dbraw/zinc/26/40/85/879264085.db2.gz UIHNNPSSOBKEOQ-UHFFFAOYSA-N -1 3 386.427 3.731 20 0 GHADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NN=c1ccc(Cl)n[n-]1 ZINC000180811847 879368512 /nfs/dbraw/zinc/36/85/12/879368512.db2.gz TUQJWHGYONLLGJ-UHFFFAOYSA-N -1 3 397.744 3.869 20 0 GHADHM CC(C)CCc1nnc([N-]C(=O)c2cnc(OCc3ccccc3)cn2)s1 ZINC000617094905 879379415 /nfs/dbraw/zinc/37/94/15/879379415.db2.gz ZYMDQWYOVTYJAL-UHFFFAOYSA-N -1 3 383.477 3.748 20 0 GHADHM O=C(CCc1nc2cc(Br)ccc2s1)[N-]OCc1cccnc1 ZINC000152560530 879400440 /nfs/dbraw/zinc/40/04/40/879400440.db2.gz WEBQGIUEGOGALP-UHFFFAOYSA-N -1 3 392.278 3.634 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000746887277 879511283 /nfs/dbraw/zinc/51/12/83/879511283.db2.gz VDHBZSMHGZACDT-OAHLLOKOSA-N -1 3 398.459 3.924 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000617219674 879534903 /nfs/dbraw/zinc/53/49/03/879534903.db2.gz LUKSPPNRYLYSPF-CYBMUJFWSA-N -1 3 394.468 3.728 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1cccc(Br)c1Cl ZINC000790254590 879551551 /nfs/dbraw/zinc/55/15/51/879551551.db2.gz KZLJYETVYRIGAB-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000452536104 879602132 /nfs/dbraw/zinc/60/21/32/879602132.db2.gz XVEKMAILMFTDIF-ZIAGYGMSSA-N -1 3 393.484 3.511 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(C)nc(N3CCCC3)c2)c([O-])c1 ZINC001183400372 912479926 /nfs/dbraw/zinc/47/99/26/912479926.db2.gz ARGBIHWKBNJOOZ-UHFFFAOYSA-N -1 3 383.492 3.805 20 0 GHADHM CCSc1c[nH]c(=O)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC001183378280 912491866 /nfs/dbraw/zinc/49/18/66/912491866.db2.gz RRTSEEPPHVLYJV-UHFFFAOYSA-N -1 3 381.417 3.683 20 0 GHADHM CCSc1c[nH]c(=O)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC001183378280 912491916 /nfs/dbraw/zinc/49/19/16/912491916.db2.gz RRTSEEPPHVLYJV-UHFFFAOYSA-N -1 3 381.417 3.683 20 0 GHADHM Cc1nc([C@H]2CCCO2)sc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000494005138 879809292 /nfs/dbraw/zinc/80/92/92/879809292.db2.gz WJKBLTBYBUMJMD-MRXNPFEDSA-N -1 3 382.489 3.984 20 0 GHADHM CCN(c1ccccc1)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000461438212 879811676 /nfs/dbraw/zinc/81/16/76/879811676.db2.gz WUJHKBKXTLYZAA-UHFFFAOYSA-N -1 3 399.450 3.658 20 0 GHADHM O=C([N-]Cc1noc2c1CCCC2)C(F)(F)c1ccc(Br)cc1 ZINC000854485175 879846514 /nfs/dbraw/zinc/84/65/14/879846514.db2.gz RNGLBBIEFGDUBA-UHFFFAOYSA-N -1 3 385.208 3.724 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)C1)C(F)(F)F ZINC000854525879 879879888 /nfs/dbraw/zinc/87/98/88/879879888.db2.gz IXHJIABZAQSQFI-KZNAEPCWSA-N -1 3 396.453 3.563 20 0 GHADHM O=C(NCCc1nc2cc(Cl)ccc2s1)NCc1ccc([O-])c(F)c1 ZINC000531500137 879975134 /nfs/dbraw/zinc/97/51/34/879975134.db2.gz NJMROBIDFYHGHY-UHFFFAOYSA-N -1 3 379.844 3.836 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1[O-] ZINC000854679074 880000946 /nfs/dbraw/zinc/00/09/46/880000946.db2.gz RJLRKVWWSQVJAU-UHFFFAOYSA-N -1 3 385.420 3.613 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000531739723 880371077 /nfs/dbraw/zinc/37/10/77/880371077.db2.gz GOTJWHXLEJGWMI-INIZCTEOSA-N -1 3 375.266 3.950 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000184960482 880431754 /nfs/dbraw/zinc/43/17/54/880431754.db2.gz NMTUFLANENFKPE-INIZCTEOSA-N -1 3 388.533 3.994 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(C2CCC(c3ccccc3)CC2)no1 ZINC000453195567 880600728 /nfs/dbraw/zinc/60/07/28/880600728.db2.gz KVDWOFBMFBZWTA-UHFFFAOYSA-N -1 3 377.510 3.731 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C4(C)CC4)no3)ccc2C)cc1 ZINC000453328001 880761154 /nfs/dbraw/zinc/76/11/54/880761154.db2.gz UXSJETVWKSWPNB-UHFFFAOYSA-N -1 3 399.472 3.906 20 0 GHADHM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000855847007 880814147 /nfs/dbraw/zinc/81/41/47/880814147.db2.gz ODAXHBRUBRKNME-GOSISDBHSA-N -1 3 389.835 3.767 20 0 GHADHM O=C(OC[C@@H]1CCCS(=O)(=O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000791980475 880819474 /nfs/dbraw/zinc/81/94/74/880819474.db2.gz XQRMJPMQJCSMAQ-ZDUSSCGKSA-N -1 3 394.876 3.694 20 0 GHADHM COCCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000186354316 880864254 /nfs/dbraw/zinc/86/42/54/880864254.db2.gz WKBNELZBMGDZAN-UHFFFAOYSA-N -1 3 399.329 3.941 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)c2cn(-c3ccccc3)nn2)[n-]c1-c1ccccc1 ZINC000186836623 880999479 /nfs/dbraw/zinc/99/94/79/880999479.db2.gz TUWJDQXEXSCMIX-HNNXBMFYSA-N -1 3 393.472 3.501 20 0 GHADHM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2cn(-c3ccccc3)nn2)nc1-c1ccccc1 ZINC000186836623 880999483 /nfs/dbraw/zinc/99/94/83/880999483.db2.gz TUWJDQXEXSCMIX-HNNXBMFYSA-N -1 3 393.472 3.501 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncccc2[O-])C[C@H](c2ccccc2)C1 ZINC001183563080 912631837 /nfs/dbraw/zinc/63/18/37/912631837.db2.gz RMBCPKGMDYPGHI-DLBZAZTESA-N -1 3 397.475 3.767 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nc4cccnc4s3)nc(=O)c2c1C ZINC000792384827 881091779 /nfs/dbraw/zinc/09/17/79/881091779.db2.gz NBWQFQJJEOUJJL-QMMMGPOBSA-N -1 3 386.458 3.936 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc(Cl)c2c(c1)OCCO2 ZINC000792483442 881138936 /nfs/dbraw/zinc/13/89/36/881138936.db2.gz NQIPYBYKIALNJS-UHFFFAOYSA-N -1 3 396.790 3.895 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(Cl)c2c(c1)OCCO2 ZINC000792483442 881138940 /nfs/dbraw/zinc/13/89/40/881138940.db2.gz NQIPYBYKIALNJS-UHFFFAOYSA-N -1 3 396.790 3.895 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792486199 881140030 /nfs/dbraw/zinc/14/00/30/881140030.db2.gz QFQAIKUKDIROLC-KBXCAEBGSA-N -1 3 384.476 3.921 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1F ZINC000640291844 881155978 /nfs/dbraw/zinc/15/59/78/881155978.db2.gz DPRAEBLFLLHKIK-MRVPVSSYSA-N -1 3 394.756 3.551 20 0 GHADHM CCCCN1CC[C@@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275209774 912651522 /nfs/dbraw/zinc/65/15/22/912651522.db2.gz MOIXRAHNHJBDOC-SFHVURJKSA-N -1 3 381.314 3.522 20 0 GHADHM CCCCc1nc(NC(=O)C=Cc2cnc3ccccc3n2)c(C(=O)OCC)[n-]1 ZINC000792552784 881183950 /nfs/dbraw/zinc/18/39/50/881183950.db2.gz BZAQQEOVQIHPGI-QXMHVHEDSA-N -1 3 393.447 3.524 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000114185476 881185837 /nfs/dbraw/zinc/18/58/37/881185837.db2.gz HHGCSKMLQOXEMK-CYBMUJFWSA-N -1 3 384.382 3.736 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ccncc2Cl)cc1 ZINC000499144539 881269928 /nfs/dbraw/zinc/26/99/28/881269928.db2.gz BUAJNOXCOHPGLF-UHFFFAOYSA-N -1 3 391.855 3.709 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000135390147 883330458 /nfs/dbraw/zinc/33/04/58/883330458.db2.gz KJTSZNXJXBTSJT-SFHVURJKSA-N -1 3 386.879 3.699 20 0 GHADHM CC(C)CNC(=O)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000055491915 883394747 /nfs/dbraw/zinc/39/47/47/883394747.db2.gz BBQNSTVUHLAZSI-UHFFFAOYSA-N -1 3 375.881 3.620 20 0 GHADHM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc2sccc2c([O-])c1 ZINC000804898317 883463091 /nfs/dbraw/zinc/46/30/91/883463091.db2.gz FMBHVGLSYGVBRH-UHFFFAOYSA-N -1 3 384.388 3.652 20 0 GHADHM CC(C)(C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000476961354 883479579 /nfs/dbraw/zinc/47/95/79/883479579.db2.gz HFPHIZDVAPHYEW-UHFFFAOYSA-N -1 3 390.365 3.709 20 0 GHADHM Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(=O)c3ccccc3[n-]1)CCCC2 ZINC000286373177 912715857 /nfs/dbraw/zinc/71/58/57/912715857.db2.gz YTJWBZTVTZLXCC-IBGZPJMESA-N -1 3 376.460 3.530 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1F ZINC000032410764 883516223 /nfs/dbraw/zinc/51/62/23/883516223.db2.gz AWBNVTAPFBPASI-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM O=C(Cc1ccoc1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000477000321 883538253 /nfs/dbraw/zinc/53/82/53/883538253.db2.gz YELKPTTXRSKQID-UHFFFAOYSA-N -1 3 380.629 3.689 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1ccc(OC(F)F)cn1 ZINC001130060999 883555348 /nfs/dbraw/zinc/55/53/48/883555348.db2.gz UPGYVFZDSHMYIF-UHFFFAOYSA-N -1 3 380.351 3.517 20 0 GHADHM CCc1cc2c(CN3CCc4c(cccc4NC(C)=O)C3)cc(=O)oc2cc1[O-] ZINC000054390098 883785385 /nfs/dbraw/zinc/78/53/85/883785385.db2.gz ZBGFDANQPSLLOT-UHFFFAOYSA-N -1 3 392.455 3.578 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccccc2C(C)(C)C)no1 ZINC000477145797 883789813 /nfs/dbraw/zinc/78/98/13/883789813.db2.gz XJRLZHCBQIDQSY-UHFFFAOYSA-N -1 3 385.489 3.821 20 0 GHADHM CS[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000129934843 883992236 /nfs/dbraw/zinc/99/22/36/883992236.db2.gz ACGRBBFKUPCBIK-OAHLLOKOSA-N -1 3 392.546 3.586 20 0 GHADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000556176062 884017893 /nfs/dbraw/zinc/01/78/93/884017893.db2.gz KZMQSQVYJZEHHL-JOCHJYFZSA-N -1 3 396.292 3.812 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000914534511 884041126 /nfs/dbraw/zinc/04/11/26/884041126.db2.gz QVOBZVWHGACUCG-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000914534511 884041131 /nfs/dbraw/zinc/04/11/31/884041131.db2.gz QVOBZVWHGACUCG-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CCN(C)C(=O)OC[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000805761954 884092371 /nfs/dbraw/zinc/09/23/71/884092371.db2.gz APAPCQQVTORLPM-CQSZACIVSA-N -1 3 398.463 3.524 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC(c3cccc4ccccc43)CC2)c(=O)[n-]1 ZINC000476144723 884113942 /nfs/dbraw/zinc/11/39/42/884113942.db2.gz KGKSVZKAMSFUCW-UHFFFAOYSA-N -1 3 375.472 3.901 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000914578457 884206563 /nfs/dbraw/zinc/20/65/63/884206563.db2.gz FHPIVIARLAIPIO-ZETCQYMHSA-N -1 3 382.618 3.831 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1 ZINC000666881474 884230274 /nfs/dbraw/zinc/23/02/74/884230274.db2.gz ARSGTLZBKQHBSP-UHFFFAOYSA-N -1 3 385.489 3.672 20 0 GHADHM O=C(CCCc1ccc(C2CC2)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000897649923 884271378 /nfs/dbraw/zinc/27/13/78/884271378.db2.gz DANWQNWQGKOLIQ-UHFFFAOYSA-N -1 3 396.453 3.804 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1F ZINC000914602351 884290803 /nfs/dbraw/zinc/29/08/03/884290803.db2.gz BNQBPEPPKSTJCY-UHFFFAOYSA-N -1 3 382.501 3.523 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000070878320 884530587 /nfs/dbraw/zinc/53/05/87/884530587.db2.gz ZKPRQXRGLXNDHU-UHFFFAOYSA-N -1 3 376.261 3.823 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(C4CCOCC4)cs3)c[n-]c12 ZINC000286636525 912837489 /nfs/dbraw/zinc/83/74/89/912837489.db2.gz JXKLPDALIDPIJL-UHFFFAOYSA-N -1 3 387.436 3.991 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1F ZINC000914718384 884598432 /nfs/dbraw/zinc/59/84/32/884598432.db2.gz OHXHXACTFUUCGF-ZMSDIMECSA-N -1 3 396.528 3.601 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205070 884630454 /nfs/dbraw/zinc/63/04/54/884630454.db2.gz JCMADUBZHSZHJC-CQSZACIVSA-N -1 3 398.488 3.642 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000666306656 884679701 /nfs/dbraw/zinc/67/97/01/884679701.db2.gz ZURTWIJKPDRRQY-UHFFFAOYSA-N -1 3 385.514 3.686 20 0 GHADHM O=C(NCC1(C(=O)Nc2cccc([O-])c2F)CCCC1)OCc1ccccc1 ZINC000860474205 884714196 /nfs/dbraw/zinc/71/41/96/884714196.db2.gz GHQWXTCYHDDFGI-UHFFFAOYSA-N -1 3 386.423 3.957 20 0 GHADHM CCC[C@@H](C)c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000761847566 884802008 /nfs/dbraw/zinc/80/20/08/884802008.db2.gz VMOJFMNMBYPWFO-LLVKDONJSA-N -1 3 378.429 3.908 20 0 GHADHM CC(C)OCc1cccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000919046855 884803674 /nfs/dbraw/zinc/80/36/74/884803674.db2.gz PTSXHBAJJBLGJZ-UHFFFAOYSA-N -1 3 399.274 3.720 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000919061622 884831582 /nfs/dbraw/zinc/83/15/82/884831582.db2.gz CIKJCLUVRVSSJA-GFCCVEGCSA-N -1 3 387.823 3.700 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000919061622 884831597 /nfs/dbraw/zinc/83/15/97/884831597.db2.gz CIKJCLUVRVSSJA-GFCCVEGCSA-N -1 3 387.823 3.700 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c(C(=O)OCC)[n-]1 ZINC000556437427 884921138 /nfs/dbraw/zinc/92/11/38/884921138.db2.gz KCNLAUDGUSSWNN-OAHLLOKOSA-N -1 3 383.448 3.628 20 0 GHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1c1ccccc1 ZINC000533918859 884996582 /nfs/dbraw/zinc/99/65/82/884996582.db2.gz UGUMTJIIXZATHZ-CVEARBPZSA-N -1 3 385.316 3.717 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3F)n[n-]2)o1 ZINC000919328157 885342380 /nfs/dbraw/zinc/34/23/80/885342380.db2.gz NBMWKWHSCADYKR-SNVBAGLBSA-N -1 3 391.786 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3F)[n-]n2)o1 ZINC000919328157 885342403 /nfs/dbraw/zinc/34/24/03/885342403.db2.gz NBMWKWHSCADYKR-SNVBAGLBSA-N -1 3 391.786 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)n[n-]2)o1 ZINC000919324206 885380373 /nfs/dbraw/zinc/38/03/73/885380373.db2.gz FHOBSFRRCJCYEH-UHFFFAOYSA-N -1 3 393.852 3.508 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)[n-]n2)o1 ZINC000919324206 885380390 /nfs/dbraw/zinc/38/03/90/885380390.db2.gz FHOBSFRRCJCYEH-UHFFFAOYSA-N -1 3 393.852 3.508 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3nc4ccccc4o3)[n-]c(=O)c21 ZINC000537556817 885394723 /nfs/dbraw/zinc/39/47/23/885394723.db2.gz WMHSRUINKAQUMV-SNVBAGLBSA-N -1 3 396.428 3.820 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053543839 885506021 /nfs/dbraw/zinc/50/60/21/885506021.db2.gz BETBGCMLXTTXGM-MSOLQXFVSA-N -1 3 396.487 3.728 20 0 GHADHM O=[S@](Cc1nc(-c2cc(Br)cs2)no1)c1ccc([O-])cc1 ZINC000108086561 885539746 /nfs/dbraw/zinc/53/97/46/885539746.db2.gz RKYZFDNDZGOIOQ-NRFANRHFSA-N -1 3 385.264 3.574 20 0 GHADHM C[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H](C(=O)[O-])C1 ZINC000229305541 885585240 /nfs/dbraw/zinc/58/52/40/885585240.db2.gz XKFWMRZBZKJBHQ-ZWNOBZJWSA-N -1 3 376.678 3.666 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706570 885615903 /nfs/dbraw/zinc/61/59/03/885615903.db2.gz QIDNBLASOYNSNR-KRXQYRFLSA-N -1 3 384.442 3.793 20 0 GHADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1nnc2ccccc2c1[O-] ZINC000118336810 885627866 /nfs/dbraw/zinc/62/78/66/885627866.db2.gz INWHJBZHNIFNJK-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)c(C)c1C ZINC000532498055 885873651 /nfs/dbraw/zinc/87/36/51/885873651.db2.gz LIZAIBGTYOIAPI-GOSISDBHSA-N -1 3 386.517 3.633 20 0 GHADHM COc1cc2c(cc1F)nccc2N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000808079046 885978117 /nfs/dbraw/zinc/97/81/17/885978117.db2.gz MLFHLLNYQUWPMU-DINDLPBHSA-N -1 3 399.388 3.664 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000861921970 885994472 /nfs/dbraw/zinc/99/44/72/885994472.db2.gz RQTTWOOWXPPDCU-IRXDYDNUSA-N -1 3 388.508 3.810 20 0 GHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(OCc2ccc(C)cc2)c1 ZINC000808092135 886010515 /nfs/dbraw/zinc/01/05/15/886010515.db2.gz UTOIYQAJXFWSKR-UHFFFAOYSA-N -1 3 391.489 3.515 20 0 GHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CCN(C)C)C3CCCC3)n2)c1 ZINC000550715787 886015451 /nfs/dbraw/zinc/01/54/51/886015451.db2.gz NSVVNACHSRCNMG-UHFFFAOYSA-N -1 3 384.524 3.648 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H]1CNC(=O)OC(C)(C)C ZINC001184106848 913005324 /nfs/dbraw/zinc/00/53/24/913005324.db2.gz XTSRVEDLZPDRSY-TZMCWYRMSA-N -1 3 399.329 3.747 20 0 GHADHM CC(C)(c1csc(NC(=O)CNC(=O)c2ccc([O-])cc2)n1)c1ccccc1 ZINC001184132777 913018275 /nfs/dbraw/zinc/01/82/75/913018275.db2.gz ZEGNBEQIXJUMNR-UHFFFAOYSA-N -1 3 395.484 3.543 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(Cl)ccc1Cl ZINC000762520651 886327491 /nfs/dbraw/zinc/32/74/91/886327491.db2.gz FOZIXSLMUKGWCX-WZRBSPASSA-N -1 3 384.375 3.651 20 0 GHADHM CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc4c(cc3[O-])OCO4)CC2)cc1 ZINC000919769235 886328678 /nfs/dbraw/zinc/32/86/78/886328678.db2.gz UZOCUAHMILXDLS-UHFFFAOYSA-N -1 3 396.487 3.817 20 0 GHADHM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(Cc4ccncc4)cc3)cc21 ZINC000762596410 886490256 /nfs/dbraw/zinc/49/02/56/886490256.db2.gz ZUBPPJXLLDSQPO-UHFFFAOYSA-N -1 3 393.512 3.856 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)C[C@H](O)c1ccccc1 ZINC000762633615 886576094 /nfs/dbraw/zinc/57/60/94/886576094.db2.gz WKHWDTUBXIAITO-SJCJKPOMSA-N -1 3 377.437 3.671 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)n[n-]c21 ZINC000808676263 886673292 /nfs/dbraw/zinc/67/32/92/886673292.db2.gz JRWXGOPTKWIOFA-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000808676263 886673297 /nfs/dbraw/zinc/67/32/97/886673297.db2.gz JRWXGOPTKWIOFA-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM CCn1nc(C(F)(F)F)c(C(=O)[N-]c2cccc3nonc32)c1C(F)F ZINC000808802144 886805075 /nfs/dbraw/zinc/80/50/75/886805075.db2.gz HSDPPWXYPNNKHX-UHFFFAOYSA-N -1 3 375.257 3.648 20 0 GHADHM CCOCCN(C(=O)c1nnc2ccccc2c1[O-])[C@H]1CCc2ccccc21 ZINC000863001871 886805242 /nfs/dbraw/zinc/80/52/42/886805242.db2.gz GPMGMCZBLPDZAH-IBGZPJMESA-N -1 3 377.444 3.502 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)sc1Cl ZINC000544595840 886996804 /nfs/dbraw/zinc/99/68/04/886996804.db2.gz GYOLZHGHIOTYCR-SNVBAGLBSA-N -1 3 384.281 3.514 20 0 GHADHM COc1cc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)C2CC2)ccc1OC(F)F ZINC000459288083 887046290 /nfs/dbraw/zinc/04/62/90/887046290.db2.gz FVVYHJWSGXQBCI-UHFFFAOYSA-N -1 3 391.418 3.834 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(I)cc1[O-])c1ccccc1 ZINC001202508946 887067149 /nfs/dbraw/zinc/06/71/49/887067149.db2.gz JXGKOOGCKDTDNN-JTQLQIEISA-N -1 3 382.201 3.880 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CCOCC1 ZINC000795955914 913111257 /nfs/dbraw/zinc/11/12/57/913111257.db2.gz BLAQLMMVTIHMJI-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C ZINC000863407226 887090543 /nfs/dbraw/zinc/09/05/43/887090543.db2.gz ALLQYLNNCYLXPD-UHFFFAOYSA-N -1 3 378.425 3.991 20 0 GHADHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc([O-])c1Br ZINC000459298696 887136088 /nfs/dbraw/zinc/13/60/88/887136088.db2.gz AOCHLLDDTVRIBW-GFCCVEGCSA-N -1 3 398.322 3.751 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1F ZINC000794608108 887674087 /nfs/dbraw/zinc/67/40/87/887674087.db2.gz GKCYRRATDOOWLF-VOTSOKGWSA-N -1 3 387.791 3.817 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)s1 ZINC000041154188 887727415 /nfs/dbraw/zinc/72/74/15/887727415.db2.gz YEQHBMDNRXRRHK-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1csc(C2CC2)n1 ZINC000864528167 887830387 /nfs/dbraw/zinc/83/03/87/887830387.db2.gz MGKRVOWRHLSKMT-CQSZACIVSA-N -1 3 386.395 3.705 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2c(c1)CCCC2 ZINC000614837872 887860684 /nfs/dbraw/zinc/86/06/84/887860684.db2.gz QSHNEPPCLKYQHY-FQEVSTJZSA-N -1 3 387.501 3.924 20 0 GHADHM CCC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000054612049 888006654 /nfs/dbraw/zinc/00/66/54/888006654.db2.gz ASHBELBIIONKBF-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000055616595 888234542 /nfs/dbraw/zinc/23/45/42/888234542.db2.gz GKTJKEBVDXNJRN-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM O=C(CCOc1cccc(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000532697498 888274910 /nfs/dbraw/zinc/27/49/10/888274910.db2.gz XLQBLLNJDMKTEK-UHFFFAOYSA-N -1 3 384.657 3.893 20 0 GHADHM COC(=O)c1cccc(-c2nc(CSCc3nc(C)cc(=O)[n-]3)cs2)c1 ZINC000763216089 888335539 /nfs/dbraw/zinc/33/55/39/888335539.db2.gz NUUBNUQFFFSKTE-UHFFFAOYSA-N -1 3 387.486 3.834 20 0 GHADHM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)o2)cc1 ZINC000015662000 888363164 /nfs/dbraw/zinc/36/31/64/888363164.db2.gz ZKRQJHYCDILNQW-UYRXBGFRSA-N -1 3 387.391 3.934 20 0 GHADHM O=C(Cc1c(Cl)cc(C(F)(F)F)cc1Cl)NCc1ncccc1[O-] ZINC001184469226 913239366 /nfs/dbraw/zinc/23/93/66/913239366.db2.gz RXUIXZQCXSXGAI-UHFFFAOYSA-N -1 3 379.165 3.972 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000810443715 888523482 /nfs/dbraw/zinc/52/34/82/888523482.db2.gz ULETVVPPNMWTLM-MLGOLLRUSA-N -1 3 382.888 3.859 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3cccc(OC)c3)c2)n1 ZINC000194430753 888586142 /nfs/dbraw/zinc/58/61/42/888586142.db2.gz SEYNWJKLMBGMPN-CQSZACIVSA-N -1 3 377.444 3.750 20 0 GHADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1nc(N2CCCC2)ncc1Cl ZINC000916045042 888657586 /nfs/dbraw/zinc/65/75/86/888657586.db2.gz XZCZAYYBZJUDGU-UHFFFAOYSA-N -1 3 392.916 3.882 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c(C)c1 ZINC000916108970 888737975 /nfs/dbraw/zinc/73/79/75/888737975.db2.gz GJBWQZURBMUGDY-UHFFFAOYSA-N -1 3 393.818 3.984 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120970459 888799005 /nfs/dbraw/zinc/79/90/05/888799005.db2.gz NYFTWHJSXDMMMV-UHFFFAOYSA-N -1 3 390.480 3.985 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000121143263 888965118 /nfs/dbraw/zinc/96/51/18/888965118.db2.gz QQJSLTBZLSSZSP-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000121143263 888965125 /nfs/dbraw/zinc/96/51/25/888965125.db2.gz QQJSLTBZLSSZSP-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM CCC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(C(F)(F)F)c1 ZINC000866628070 888979456 /nfs/dbraw/zinc/97/94/56/888979456.db2.gz JHYXSCFQEIRYSZ-OAHLLOKOSA-N -1 3 381.398 3.905 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(OCc2ccccc2)cc1 ZINC000866629101 888981185 /nfs/dbraw/zinc/98/11/85/888981185.db2.gz WIFBFGFADIMXSJ-MRXNPFEDSA-N -1 3 391.471 3.685 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810899582 889007461 /nfs/dbraw/zinc/00/74/61/889007461.db2.gz CTTGMGSIPBSZTP-GOSISDBHSA-N -1 3 398.469 3.735 20 0 GHADHM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810902714 889010212 /nfs/dbraw/zinc/01/02/12/889010212.db2.gz DWWHFJCPZBJWKP-FWLQQBITSA-N -1 3 388.817 3.660 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000121610429 889054846 /nfs/dbraw/zinc/05/48/46/889054846.db2.gz IWJANLXXXVNZQT-UHFFFAOYSA-N -1 3 383.473 3.928 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c(C)o1 ZINC000532846726 889119091 /nfs/dbraw/zinc/11/90/91/889119091.db2.gz QSROMQBKWPOGNU-UHFFFAOYSA-N -1 3 378.233 3.791 20 0 GHADHM O=C([O-])C[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000532881160 889154686 /nfs/dbraw/zinc/15/46/86/889154686.db2.gz BGYDPGWVSMNZPW-DYVFJYSZSA-N -1 3 399.318 3.844 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124128796 889516820 /nfs/dbraw/zinc/51/68/20/889516820.db2.gz UKVBBNDOTYXARM-LJQANCHMSA-N -1 3 391.450 3.765 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(CCc1ccccc1)C1CCCC1 ZINC000124162911 889529469 /nfs/dbraw/zinc/52/94/69/889529469.db2.gz NPQYQUCSULFQKO-UHFFFAOYSA-N -1 3 377.444 3.589 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)NCC1(c2ccccc2)CC1 ZINC000811394654 889535825 /nfs/dbraw/zinc/53/58/25/889535825.db2.gz WYUWVTUESMCZRO-UHFFFAOYSA-N -1 3 388.876 3.888 20 0 GHADHM CC(C)(O)c1cnc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000811615575 889817453 /nfs/dbraw/zinc/81/74/53/889817453.db2.gz ATVPSUXBPXJVPN-UHFFFAOYSA-N -1 3 384.457 3.907 20 0 GHADHM O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125393958 889978674 /nfs/dbraw/zinc/97/86/74/889978674.db2.gz JBURGGGKXGPWBM-AWEZNQCLSA-N -1 3 382.363 3.853 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c(C)c1 ZINC000125604740 890051527 /nfs/dbraw/zinc/05/15/27/890051527.db2.gz BTSZVBAQXOQRLW-UHFFFAOYSA-N -1 3 386.517 3.957 20 0 GHADHM CC(C)[C@@H](CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811858864 890054629 /nfs/dbraw/zinc/05/46/29/890054629.db2.gz ISMOBXUMKIXKNC-NVXWUHKLSA-N -1 3 399.457 3.526 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccnn3CC3CCC3)nc(=O)c2c1C ZINC000869762150 890066490 /nfs/dbraw/zinc/06/64/90/890066490.db2.gz GICAAFOUNRUEGA-LLVKDONJSA-N -1 3 386.477 3.928 20 0 GHADHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000125977926 890301346 /nfs/dbraw/zinc/30/13/46/890301346.db2.gz NGEKKLHEVFYTNH-AWEZNQCLSA-N -1 3 397.294 3.609 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccc(OC)c4)CCCC3)nc21 ZINC000533332059 890313561 /nfs/dbraw/zinc/31/35/61/890313561.db2.gz UZOOXPFLSBHQAV-UHFFFAOYSA-N -1 3 393.443 3.809 20 0 GHADHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000126241392 890439947 /nfs/dbraw/zinc/43/99/47/890439947.db2.gz ZSLUPYCIOBIGEV-LLVKDONJSA-N -1 3 388.349 3.797 20 0 GHADHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000126241392 890439956 /nfs/dbraw/zinc/43/99/56/890439956.db2.gz ZSLUPYCIOBIGEV-LLVKDONJSA-N -1 3 388.349 3.797 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000870623914 890448649 /nfs/dbraw/zinc/44/86/49/890448649.db2.gz BPBBUJXHXIWOOB-UHFFFAOYSA-N -1 3 380.779 3.739 20 0 GHADHM COCCN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126301500 890463552 /nfs/dbraw/zinc/46/35/52/890463552.db2.gz QEPJAVKSLITQMH-UHFFFAOYSA-N -1 3 393.281 3.513 20 0 GHADHM CC(C)C[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274957 890492833 /nfs/dbraw/zinc/49/28/33/890492833.db2.gz MSPSACSPBBLIHI-NVXWUHKLSA-N -1 3 384.442 3.733 20 0 GHADHM CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)[nH]c2c1 ZINC000812279075 890496780 /nfs/dbraw/zinc/49/67/80/890496780.db2.gz SHGFNWPWLYHNTO-ZDUSSCGKSA-N -1 3 395.425 3.822 20 0 GHADHM CCCNC(=O)c1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126504625 890568790 /nfs/dbraw/zinc/56/87/90/890568790.db2.gz USEAWCMQVUTKSC-UHFFFAOYSA-N -1 3 377.238 3.547 20 0 GHADHM COCCOCc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC000126653952 890634599 /nfs/dbraw/zinc/63/45/99/890634599.db2.gz AVALJNQZFDUSQT-UHFFFAOYSA-N -1 3 398.228 3.709 20 0 GHADHM O=C([N-]OCCCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000871210369 890695903 /nfs/dbraw/zinc/69/59/03/890695903.db2.gz GLKVOIZRGKYMKT-ZDUSSCGKSA-N -1 3 392.805 3.583 20 0 GHADHM Cc1cc(-c2noc(CCC(=O)[N-]OCCCC(F)(F)F)n2)ccc1F ZINC000871211252 890697219 /nfs/dbraw/zinc/69/72/19/890697219.db2.gz ISUFCOKPTSYAJR-UHFFFAOYSA-N -1 3 375.322 3.507 20 0 GHADHM CS[C@H](C)CCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314840 890748156 /nfs/dbraw/zinc/74/81/56/890748156.db2.gz GBRKZRJYWJVEJD-CHWSQXEVSA-N -1 3 388.455 3.717 20 0 GHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(CC(C)C)s3)n2)n1 ZINC000126815988 890753233 /nfs/dbraw/zinc/75/32/33/890753233.db2.gz OVNWHIMTMMWQGR-UHFFFAOYSA-N -1 3 390.900 3.840 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000872164514 891188576 /nfs/dbraw/zinc/18/85/76/891188576.db2.gz SKNPMJONMRJHSN-INIZCTEOSA-N -1 3 375.856 3.996 20 0 GHADHM COc1ccccc1[C@@H]1CSCCCN1CCOc1ccccc1C(=O)[O-] ZINC000872168310 891192270 /nfs/dbraw/zinc/19/22/70/891192270.db2.gz SBEFHLLMCYMLHG-SFHVURJKSA-N -1 3 387.501 3.952 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CCc1n[nH]c2ccccc12 ZINC000825626913 891346540 /nfs/dbraw/zinc/34/65/40/891346540.db2.gz QSNDZFYZKWSHHR-CYBMUJFWSA-N -1 3 377.452 3.575 20 0 GHADHM CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1ccc(O)cc1[O-] ZINC000805480202 891396556 /nfs/dbraw/zinc/39/65/56/891396556.db2.gz ZOGMQSFOFUHLCQ-UHFFFAOYSA-N -1 3 392.496 3.645 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813283602 891469752 /nfs/dbraw/zinc/46/97/52/891469752.db2.gz WTHCBEPCJJZANZ-HZPDHXFCSA-N -1 3 376.463 3.900 20 0 GHADHM Cc1ccc(S[C@@H](C(=O)NCCCc2cc(=O)[nH][n-]2)c2ccccc2)c(C)c1 ZINC000614920330 891596177 /nfs/dbraw/zinc/59/61/77/891596177.db2.gz AGFHHZDPEBWVGK-OAQYLSRUSA-N -1 3 395.528 3.909 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CC2CCC2)(C(=O)Nc2ncccc2[O-])CC1 ZINC001185021040 913583081 /nfs/dbraw/zinc/58/30/81/913583081.db2.gz WNVUFVASJQHBPE-UHFFFAOYSA-N -1 3 389.496 3.933 20 0 GHADHM CC(C)Oc1ccc(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000873645852 891723414 /nfs/dbraw/zinc/72/34/14/891723414.db2.gz RSRGTYALPXBCEM-CVEARBPZSA-N -1 3 391.899 3.551 20 0 GHADHM CCOC(=O)Nc1scnc1C(=O)[N-]c1cc(C(=O)OCC)c(C)cc1F ZINC000813578384 891760503 /nfs/dbraw/zinc/76/05/03/891760503.db2.gz SBSPANOLKHTQLG-UHFFFAOYSA-N -1 3 395.412 3.588 20 0 GHADHM CCC[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000030017034 891764580 /nfs/dbraw/zinc/76/45/80/891764580.db2.gz PUYHURWWJTYDLB-CYBMUJFWSA-N -1 3 386.448 3.580 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)c1cccc(C)c1 ZINC001185002591 913599004 /nfs/dbraw/zinc/59/90/04/913599004.db2.gz ZYNWSADETHZGSW-UHFFFAOYSA-N -1 3 390.480 3.994 20 0 GHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(Br)cc2)CCOCC1 ZINC000128401242 891848494 /nfs/dbraw/zinc/84/84/94/891848494.db2.gz IVZGTLILSKMXKP-UHFFFAOYSA-N -1 3 394.240 3.981 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@@H]2CCCC2(F)F)CC1 ZINC000813731120 891908631 /nfs/dbraw/zinc/90/86/31/891908631.db2.gz RHGNUZGBEHTLRO-GFCCVEGCSA-N -1 3 382.398 3.573 20 0 GHADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC001133907356 891926054 /nfs/dbraw/zinc/92/60/54/891926054.db2.gz VLHOSLPJUAPINZ-UHFFFAOYSA-N -1 3 376.338 3.584 20 0 GHADHM O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001133907356 891926062 /nfs/dbraw/zinc/92/60/62/891926062.db2.gz VLHOSLPJUAPINZ-UHFFFAOYSA-N -1 3 376.338 3.584 20 0 GHADHM Cc1cccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1C ZINC001212097817 891968887 /nfs/dbraw/zinc/96/88/87/891968887.db2.gz KXYOXNCDWGIRNF-SFHVURJKSA-N -1 3 391.427 3.798 20 0 GHADHM NC(=O)c1cc(-c2csc(=Nc3ccccc3)n2C2CCOCC2)ccc1[O-] ZINC000917568256 892187178 /nfs/dbraw/zinc/18/71/78/892187178.db2.gz VQGFPYXTNWZPCJ-UHFFFAOYSA-N -1 3 395.484 3.605 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CCC1)c1cnc(Cl)nc1 ZINC001185076589 913649814 /nfs/dbraw/zinc/64/98/14/913649814.db2.gz YMGQSDOFAIZEPR-UHFFFAOYSA-N -1 3 391.802 3.507 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-])ccc21 ZINC000263318495 892520236 /nfs/dbraw/zinc/52/02/36/892520236.db2.gz JBSNBJHZGUSNFV-GJZGRUSLSA-N -1 3 381.476 3.794 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)nc21 ZINC000162477545 892581860 /nfs/dbraw/zinc/58/18/60/892581860.db2.gz JMSAZPOLNIKLTH-UHFFFAOYSA-N -1 3 382.807 3.665 20 0 GHADHM CCc1cc2c(CN3CCC[C@@H](OCC(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000917940934 892855813 /nfs/dbraw/zinc/85/58/13/892855813.db2.gz JKJGNUGRHRPYLV-CQSZACIVSA-N -1 3 385.382 3.604 20 0 GHADHM [O-]c1cccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1Cl ZINC000645150257 913708208 /nfs/dbraw/zinc/70/82/08/913708208.db2.gz AJXSGYNTTAASDN-ZDUSSCGKSA-N -1 3 375.774 3.594 20 0 GHADHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508748282 893158481 /nfs/dbraw/zinc/15/84/81/893158481.db2.gz RAKSWJOINWWEPM-ZETCQYMHSA-N -1 3 399.740 3.605 20 0 GHADHM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185234277 913742518 /nfs/dbraw/zinc/74/25/18/913742518.db2.gz ZZSFLPSVYVOLDD-UHFFFAOYSA-N -1 3 376.821 3.998 20 0 GHADHM O=C([N-]c1nnc(C2CC2)s1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000562975321 893236489 /nfs/dbraw/zinc/23/64/89/893236489.db2.gz QGSFRQXXQWKXBH-UHFFFAOYSA-N -1 3 395.275 3.614 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@H]3CC[C@H](C)CC3)[n-]c2c(Br)c1 ZINC001134789156 893304945 /nfs/dbraw/zinc/30/49/45/893304945.db2.gz OMACNOWEZZHTRZ-MGCOHNPYSA-N -1 3 394.269 3.877 20 0 GHADHM CC[C@@H](C)[C@H](C)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788625 893305573 /nfs/dbraw/zinc/30/55/73/893305573.db2.gz FGXJDBJRUKTVMK-BDAKNGLRSA-N -1 3 382.258 3.733 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(O)c3ccc(Cl)cc3)c2)n1 ZINC000815039787 893392262 /nfs/dbraw/zinc/39/22/62/893392262.db2.gz YBVAPRMTFUZDAY-OAQYLSRUSA-N -1 3 397.862 3.911 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000815184620 893528723 /nfs/dbraw/zinc/52/87/23/893528723.db2.gz FNOJOBZICMDXSF-LKFCYVNXSA-N -1 3 385.222 3.980 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[n-]1 ZINC000815168174 893556824 /nfs/dbraw/zinc/55/68/24/893556824.db2.gz XMFLRDHKCYGCBB-UHFFFAOYSA-N -1 3 381.457 3.678 20 0 GHADHM COc1cnccc1[C@@H](C)NC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000187486553 893598159 /nfs/dbraw/zinc/59/81/59/893598159.db2.gz GHVYBKXWTALBGL-SSDOTTSWSA-N -1 3 390.658 3.833 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3cn(CC)c4ccccc34)nc21 ZINC001134937180 893643760 /nfs/dbraw/zinc/64/37/60/893643760.db2.gz LDTLKUYHPHESJL-UHFFFAOYSA-N -1 3 390.443 3.895 20 0 GHADHM COCCOCc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459564370 893829109 /nfs/dbraw/zinc/82/91/09/893829109.db2.gz WDZBKCYNQRIDQI-UHFFFAOYSA-N -1 3 380.282 3.608 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)C(=O)N1c2ccccc2C[C@@H]1C ZINC000459572766 893841570 /nfs/dbraw/zinc/84/15/70/893841570.db2.gz PVYHWHAFEIMRBJ-STQMWFEESA-N -1 3 389.293 3.611 20 0 GHADHM CCc1ncnc(CC)c1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000815434122 893861655 /nfs/dbraw/zinc/86/16/55/893861655.db2.gz SNVMQLMYLPGNBL-SNVBAGLBSA-N -1 3 386.477 3.847 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nn1 ZINC000129725704 893907599 /nfs/dbraw/zinc/90/75/99/893907599.db2.gz PHOPMKPAPJYVQY-NSHDSACASA-N -1 3 397.287 3.614 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000877973896 893922665 /nfs/dbraw/zinc/92/26/65/893922665.db2.gz FUBNTKONLPOXAI-UHFFFAOYSA-N -1 3 382.291 3.972 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)o1 ZINC000878041439 893973797 /nfs/dbraw/zinc/97/37/97/893973797.db2.gz USSTWQAUZSVAHE-QGZVFWFLSA-N -1 3 389.814 3.808 20 0 GHADHM C[C@@H]1CC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 ZINC000563686351 894068603 /nfs/dbraw/zinc/06/86/03/894068603.db2.gz ASCOKUSZJCOVFG-GHMZBOCLSA-N -1 3 386.926 3.698 20 0 GHADHM C[C@@H]1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)c2cc(Cl)ccc2S1 ZINC000878265078 894140269 /nfs/dbraw/zinc/14/02/69/894140269.db2.gz LEZPFOCCLHROGB-LLVKDONJSA-N -1 3 377.897 3.799 20 0 GHADHM O=C([N-]OC1CCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000774864391 913847998 /nfs/dbraw/zinc/84/79/98/913847998.db2.gz FAHXVOSACHOJDL-ZDUSSCGKSA-N -1 3 385.291 3.836 20 0 GHADHM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C)c(C)c2[O-])ccc1C ZINC001135289551 894319263 /nfs/dbraw/zinc/31/92/63/894319263.db2.gz IZONXOHDZYGRDQ-UHFFFAOYSA-N -1 3 390.505 3.600 20 0 GHADHM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC001185431678 913859472 /nfs/dbraw/zinc/85/94/72/913859472.db2.gz JGKLQGSDEZXIKP-UHFFFAOYSA-N -1 3 387.754 3.890 20 0 GHADHM COc1ccc(C)cc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001135546369 894757949 /nfs/dbraw/zinc/75/79/49/894757949.db2.gz DEPNRXCLIXSLBT-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM O=C(NCCOCc1ccc(Cl)cc1Cl)NCc1ccc([O-])c(F)c1 ZINC000537374609 894853209 /nfs/dbraw/zinc/85/32/09/894853209.db2.gz KREJTTKPNBLDOX-UHFFFAOYSA-N -1 3 387.238 3.854 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1ccc(Cl)cc1 ZINC001135687317 895052308 /nfs/dbraw/zinc/05/23/08/895052308.db2.gz PIYMMBJWBJGWRD-UHFFFAOYSA-N -1 3 395.802 3.898 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000816792508 895076027 /nfs/dbraw/zinc/07/60/27/895076027.db2.gz KTCJALDTBODECE-CTNGQTDRSA-N -1 3 385.423 3.540 20 0 GHADHM COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc(OC)c1[O-] ZINC000816792637 895076090 /nfs/dbraw/zinc/07/60/90/895076090.db2.gz QCETWOADZAPGMD-RTWAWAEBSA-N -1 3 393.439 3.614 20 0 GHADHM CN(Cc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1)C(=O)OC(C)(C)C ZINC000816864514 895136470 /nfs/dbraw/zinc/13/64/70/895136470.db2.gz PIZWWSFVVHXMGK-UHFFFAOYSA-N -1 3 398.463 3.679 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)c(=O)[n-]1 ZINC000564639997 895150634 /nfs/dbraw/zinc/15/06/34/895150634.db2.gz SLDTYRBWBZQTMY-OAHLLOKOSA-N -1 3 381.263 3.748 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c(Cl)n1 ZINC000760325008 895190728 /nfs/dbraw/zinc/19/07/28/895190728.db2.gz FYNYQYSNLRJLGC-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM CC(C)Oc1ccc([C@@H](O)CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000816927317 895218316 /nfs/dbraw/zinc/21/83/16/895218316.db2.gz VNIHMGQLVGYWEF-KRWDZBQOSA-N -1 3 383.366 3.662 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)cc2)CCO1 ZINC000816930014 895221922 /nfs/dbraw/zinc/22/19/22/895221922.db2.gz RVNBLKYINNXQKR-GFCCVEGCSA-N -1 3 380.366 3.888 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC000816943636 895227672 /nfs/dbraw/zinc/22/76/72/895227672.db2.gz GBHVICSPGSSMMC-DOTOQJQBSA-N -1 3 378.222 3.598 20 0 GHADHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565198769 895455130 /nfs/dbraw/zinc/45/51/30/895455130.db2.gz MLKWFESHTLWLIY-ZDUSSCGKSA-N -1 3 389.736 3.886 20 0 GHADHM Cn1ccnc1[C@H]1N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1(C)C ZINC000565345742 895551783 /nfs/dbraw/zinc/55/17/83/895551783.db2.gz YHETYHOVBTUICJ-HXUWFJFHSA-N -1 3 375.472 3.940 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000565348064 895554463 /nfs/dbraw/zinc/55/44/63/895554463.db2.gz SQNSSQXKFSQWHX-HXUWFJFHSA-N -1 3 394.519 3.500 20 0 GHADHM CCN(Cc1cc2c(cc1Br)OCO2)C1CCC(C(=O)[O-])CC1 ZINC000565374459 895574470 /nfs/dbraw/zinc/57/44/70/895574470.db2.gz YULRUJDYOJWEFE-UHFFFAOYSA-N -1 3 384.270 3.643 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000778492637 895802060 /nfs/dbraw/zinc/80/20/60/895802060.db2.gz QMWMYRYPSYGPFZ-AWEZNQCLSA-N -1 3 381.398 3.908 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1)C(C)C ZINC000645655634 914008074 /nfs/dbraw/zinc/00/80/74/914008074.db2.gz RVQFGYRPTMFGJO-KRWDZBQOSA-N -1 3 394.518 3.647 20 0 GHADHM Cc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000289079712 914026142 /nfs/dbraw/zinc/02/61/42/914026142.db2.gz HMPWKHUBDPHPHZ-UHFFFAOYSA-N -1 3 385.855 3.518 20 0 GHADHM COc1ccc(Cl)cc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826208549 896314516 /nfs/dbraw/zinc/31/45/16/896314516.db2.gz PUOFRAKFVBAZPZ-OAHLLOKOSA-N -1 3 397.788 3.922 20 0 GHADHM COc1ccc(Cl)cc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826208549 896314530 /nfs/dbraw/zinc/31/45/30/896314530.db2.gz PUOFRAKFVBAZPZ-OAHLLOKOSA-N -1 3 397.788 3.922 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cnn1-c1ccccc1F ZINC000826242158 896594599 /nfs/dbraw/zinc/59/45/99/896594599.db2.gz CESJYHQBOHNOAS-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cnn1-c1ccccc1F ZINC000826242158 896594605 /nfs/dbraw/zinc/59/46/05/896594605.db2.gz CESJYHQBOHNOAS-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000566874120 896654576 /nfs/dbraw/zinc/65/45/76/896654576.db2.gz DSAVPCZAJUDFSF-UHFFFAOYSA-N -1 3 377.326 3.917 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000302927289 914087055 /nfs/dbraw/zinc/08/70/55/914087055.db2.gz CKGIHROJYVAONJ-AWEZNQCLSA-N -1 3 392.496 3.702 20 0 GHADHM [O-]c1ccccc1-c1nnc(CSc2nnc(N3CCCCC3)n2C2CC2)o1 ZINC000882091280 896658082 /nfs/dbraw/zinc/65/80/82/896658082.db2.gz ZROYDAAMUACHQZ-UHFFFAOYSA-N -1 3 398.492 3.651 20 0 GHADHM CCCc1nc(C)c(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000566891541 896672405 /nfs/dbraw/zinc/67/24/05/896672405.db2.gz TXNMIOIWOKXCNP-UHFFFAOYSA-N -1 3 381.436 3.728 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cncc(Br)c1Cl ZINC001185796504 914090794 /nfs/dbraw/zinc/09/07/94/914090794.db2.gz JGWPEXLMZJYIQD-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)nn1C1CCCCC1 ZINC000826261243 896748767 /nfs/dbraw/zinc/74/87/67/896748767.db2.gz XJCNGNFMJIOEKE-UHFFFAOYSA-N -1 3 397.508 3.679 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)nn1C1CCCCC1 ZINC000826261243 896748779 /nfs/dbraw/zinc/74/87/79/896748779.db2.gz XJCNGNFMJIOEKE-UHFFFAOYSA-N -1 3 397.508 3.679 20 0 GHADHM Cc1cc(F)ccc1N(CCCn1ccnc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826268944 896778235 /nfs/dbraw/zinc/77/82/35/896778235.db2.gz UJVBHVAFUJXALE-UHFFFAOYSA-N -1 3 391.454 3.608 20 0 GHADHM Cc1ccc(-c2nc(CCNc3ncc(Cl)c(C)c3-c3nnn[n-]3)co2)cc1 ZINC000826273702 896862736 /nfs/dbraw/zinc/86/27/36/896862736.db2.gz QJRXFBARDNUWTL-UHFFFAOYSA-N -1 3 395.854 3.842 20 0 GHADHM Cc1ccc(-c2nc(CCNc3ncc(Cl)c(C)c3-c3nn[n-]n3)co2)cc1 ZINC000826273702 896862749 /nfs/dbraw/zinc/86/27/49/896862749.db2.gz QJRXFBARDNUWTL-UHFFFAOYSA-N -1 3 395.854 3.842 20 0 GHADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1O ZINC000826281812 896865877 /nfs/dbraw/zinc/86/58/77/896865877.db2.gz KZZAFBUPSVOORG-UHFFFAOYSA-N -1 3 391.456 3.539 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000826285144 896884312 /nfs/dbraw/zinc/88/43/12/896884312.db2.gz QLSMJPRCTXWVMK-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000826285144 896884332 /nfs/dbraw/zinc/88/43/32/896884332.db2.gz QLSMJPRCTXWVMK-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCCC2)s1 ZINC001185834495 914109312 /nfs/dbraw/zinc/10/93/12/914109312.db2.gz QLLUPZUKVUIHPK-UHFFFAOYSA-N -1 3 386.926 3.595 20 0 GHADHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)c1 ZINC001185861041 914151306 /nfs/dbraw/zinc/15/13/06/914151306.db2.gz IJTLWTAPSFEEHG-UHFFFAOYSA-N -1 3 388.514 3.784 20 0 GHADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000131499449 897488175 /nfs/dbraw/zinc/48/81/75/897488175.db2.gz NVECYESHTWKPLX-UHFFFAOYSA-N -1 3 398.488 3.698 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000820767568 897515669 /nfs/dbraw/zinc/51/56/69/897515669.db2.gz ITMWLYGUOLYCSU-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000820767568 897515676 /nfs/dbraw/zinc/51/56/76/897515676.db2.gz ITMWLYGUOLYCSU-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN(CC(F)(F)F)C[C@@H](C)C2)c1C ZINC000567976902 897518894 /nfs/dbraw/zinc/51/88/94/897518894.db2.gz VEYJTLLTIGEPLH-GFCCVEGCSA-N -1 3 395.425 3.870 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000820798534 897554953 /nfs/dbraw/zinc/55/49/53/897554953.db2.gz WZVRZIDUNSJNKZ-UHFFFAOYSA-N -1 3 391.674 3.697 20 0 GHADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136384394 897574968 /nfs/dbraw/zinc/57/49/68/897574968.db2.gz IZIIJLZKHCKDCJ-AWEZNQCLSA-N -1 3 384.863 3.996 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC000568123269 897615555 /nfs/dbraw/zinc/61/55/55/897615555.db2.gz JOIPHQGERQHSCP-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CC[C@@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820989292 897656628 /nfs/dbraw/zinc/65/66/28/897656628.db2.gz PVVVMLRRKMLCGM-QGZVFWFLSA-N -1 3 387.447 3.648 20 0 GHADHM CC[C@@H]1CCc2ccccc2N1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820989292 897656638 /nfs/dbraw/zinc/65/66/38/897656638.db2.gz PVVVMLRRKMLCGM-QGZVFWFLSA-N -1 3 387.447 3.648 20 0 GHADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccc(I)cc1 ZINC000568328812 897744233 /nfs/dbraw/zinc/74/42/33/897744233.db2.gz OWBRHDSCSHZURP-OAHLLOKOSA-N -1 3 380.229 3.729 20 0 GHADHM O=C(Nc1ccc(C(=O)C2CCC2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000568345666 897763901 /nfs/dbraw/zinc/76/39/01/897763901.db2.gz OQPFTGIQZWBLOM-LJQANCHMSA-N -1 3 392.455 3.618 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(C)cc1C ZINC000821230691 897795724 /nfs/dbraw/zinc/79/57/24/897795724.db2.gz NUZHZFXZJJZGCG-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(C)cc1C ZINC000821230691 897795729 /nfs/dbraw/zinc/79/57/29/897795729.db2.gz NUZHZFXZJJZGCG-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275482734 914196724 /nfs/dbraw/zinc/19/67/24/914196724.db2.gz AYLHGKDLVHVZRG-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2C)c1 ZINC001136456543 897934181 /nfs/dbraw/zinc/93/41/81/897934181.db2.gz KDUOIMBDOCYPHC-UHFFFAOYSA-N -1 3 384.501 3.623 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC001136460362 897944383 /nfs/dbraw/zinc/94/43/83/897944383.db2.gz ZSYIBMZOXKHVBN-UHFFFAOYSA-N -1 3 377.415 3.992 20 0 GHADHM O=C([N-]N1CCCCC1=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000102641727 898020091 /nfs/dbraw/zinc/02/00/91/898020091.db2.gz YTYNNEPZBUAFTE-UHFFFAOYSA-N -1 3 379.279 3.835 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000821702015 898036247 /nfs/dbraw/zinc/03/62/47/898036247.db2.gz DSZRTQKPVNEKFY-UHFFFAOYSA-N -1 3 379.420 3.962 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000821702015 898036256 /nfs/dbraw/zinc/03/62/56/898036256.db2.gz DSZRTQKPVNEKFY-UHFFFAOYSA-N -1 3 379.420 3.962 20 0 GHADHM COc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000821790777 898076258 /nfs/dbraw/zinc/07/62/58/898076258.db2.gz TXRBOAOEBGDZJX-UHFFFAOYSA-N -1 3 392.246 3.753 20 0 GHADHM COc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000821790777 898076269 /nfs/dbraw/zinc/07/62/69/898076269.db2.gz TXRBOAOEBGDZJX-UHFFFAOYSA-N -1 3 392.246 3.753 20 0 GHADHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000821845701 898092153 /nfs/dbraw/zinc/09/21/53/898092153.db2.gz MFDOADKMUGDVLV-UHFFFAOYSA-N -1 3 385.258 3.541 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(OC[C@@H]4CCOC4)CC3)c2c1 ZINC000568888146 898190552 /nfs/dbraw/zinc/19/05/52/898190552.db2.gz ZVAPQSYUXPKCCM-MRXNPFEDSA-N -1 3 384.476 3.572 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1[O-] ZINC001136536051 898211511 /nfs/dbraw/zinc/21/15/11/898211511.db2.gz QKCQMZMAEWAKGY-UHFFFAOYSA-N -1 3 378.428 3.955 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc2)C[C@H](C)O1 ZINC000133265982 898257208 /nfs/dbraw/zinc/25/72/08/898257208.db2.gz DUABVRNWQGWTLB-HOTGVXAUSA-N -1 3 397.500 3.649 20 0 GHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000133311670 898290705 /nfs/dbraw/zinc/29/07/05/898290705.db2.gz FKZOKKAVXWSXNL-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM Cn1ccc(C=Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000569051287 898302613 /nfs/dbraw/zinc/30/26/13/898302613.db2.gz CNKQZKAZRBZLLQ-WAYWQWQTSA-N -1 3 397.236 3.793 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCN(c4ccccc4)C3)c2)n1 ZINC000569069054 898319817 /nfs/dbraw/zinc/31/98/17/898319817.db2.gz JMEGKHUXDGYXKV-QGZVFWFLSA-N -1 3 388.471 3.877 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCN(c4ccccc4)C3)c2)n1 ZINC000569069053 898319849 /nfs/dbraw/zinc/31/98/49/898319849.db2.gz JMEGKHUXDGYXKV-KRWDZBQOSA-N -1 3 388.471 3.877 20 0 GHADHM Cc1cc(Cl)nc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000800002967 898486395 /nfs/dbraw/zinc/48/63/95/898486395.db2.gz IPOZMGOMAYJNOP-UHFFFAOYSA-N -1 3 383.839 3.836 20 0 GHADHM Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)c([O-])c1 ZINC001136602327 898515065 /nfs/dbraw/zinc/51/50/65/898515065.db2.gz FEVHNCFNHSAXCN-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H]1c1ccccc1Br ZINC000133518160 898527309 /nfs/dbraw/zinc/52/73/09/898527309.db2.gz ADHLXFPCBQQEEY-MRXNPFEDSA-N -1 3 398.260 3.663 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CC23CCSCC3)[nH][n-]1 ZINC000569425739 898647112 /nfs/dbraw/zinc/64/71/12/898647112.db2.gz VRMRHIWZOMTYEP-ZDUSSCGKSA-N -1 3 377.897 3.632 20 0 GHADHM Fc1cccc(CCCN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826376579 898714103 /nfs/dbraw/zinc/71/41/03/898714103.db2.gz JSUIYSRTXXPQEC-MRXNPFEDSA-N -1 3 379.361 3.832 20 0 GHADHM Fc1cccc(CCCN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826376579 898714109 /nfs/dbraw/zinc/71/41/09/898714109.db2.gz JSUIYSRTXXPQEC-MRXNPFEDSA-N -1 3 379.361 3.832 20 0 GHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000800208368 898743791 /nfs/dbraw/zinc/74/37/91/898743791.db2.gz GIYGQCQSTVAZDL-JTQLQIEISA-N -1 3 383.795 3.503 20 0 GHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000800208368 898743797 /nfs/dbraw/zinc/74/37/97/898743797.db2.gz GIYGQCQSTVAZDL-JTQLQIEISA-N -1 3 383.795 3.503 20 0 GHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000800208368 898743802 /nfs/dbraw/zinc/74/38/02/898743802.db2.gz GIYGQCQSTVAZDL-JTQLQIEISA-N -1 3 383.795 3.503 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)n[n-]2)o1 ZINC000133647357 898803418 /nfs/dbraw/zinc/80/34/18/898803418.db2.gz GZQDCCABZQWZJK-UHFFFAOYSA-N -1 3 397.435 3.753 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000823050640 898810285 /nfs/dbraw/zinc/81/02/85/898810285.db2.gz GUQWYMILCDYIMK-OAHLLOKOSA-N -1 3 392.406 3.511 20 0 GHADHM C[C@@]12CN([C@H](C(=O)[O-])c3ccc(Br)cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000569943141 899034516 /nfs/dbraw/zinc/03/45/16/899034516.db2.gz UZNYRVMMAYTWRP-HILUPYAHSA-N -1 3 380.257 3.858 20 0 GHADHM O=[S@](Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)c1ccccc1 ZINC000823615068 899135381 /nfs/dbraw/zinc/13/53/81/899135381.db2.gz ZLHWSZNKQYSSBK-MUUNZHRXSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@](Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)c1ccccc1 ZINC000823615068 899135386 /nfs/dbraw/zinc/13/53/86/899135386.db2.gz ZLHWSZNKQYSSBK-MUUNZHRXSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@@](Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)c1ccccc1 ZINC000823615069 899135554 /nfs/dbraw/zinc/13/55/54/899135554.db2.gz ZLHWSZNKQYSSBK-NDEPHWFRSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@@](Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)c1ccccc1 ZINC000823615069 899135558 /nfs/dbraw/zinc/13/55/58/899135558.db2.gz ZLHWSZNKQYSSBK-NDEPHWFRSA-N -1 3 389.484 3.787 20 0 GHADHM COc1cccc(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)c1[O-] ZINC000570126356 899141158 /nfs/dbraw/zinc/14/11/58/899141158.db2.gz CPDKAPDOIYJKLL-UHFFFAOYSA-N -1 3 379.416 3.650 20 0 GHADHM Brc1ccc2nc(NCc3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000823831712 899260991 /nfs/dbraw/zinc/26/09/91/899260991.db2.gz AMJFRCWRHBUUKL-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccc2nc(NCc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000823831712 899261006 /nfs/dbraw/zinc/26/10/06/899261006.db2.gz AMJFRCWRHBUUKL-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM C[C@@H](CNC(=O)c1cc(Br)cc(F)c1[O-])N(C)Cc1ccccc1 ZINC001136793592 899309308 /nfs/dbraw/zinc/30/93/08/899309308.db2.gz MHNKIKAYTZLFHM-LBPRGKRZSA-N -1 3 395.272 3.544 20 0 GHADHM C[C@H]1C[C@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000332010099 899335562 /nfs/dbraw/zinc/33/55/62/899335562.db2.gz SURMIWCVTGWYCX-DLBZAZTESA-N -1 3 386.536 3.966 20 0 GHADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1ccsc1 ZINC000824045907 899359511 /nfs/dbraw/zinc/35/95/11/899359511.db2.gz OWQNKITURJPAIJ-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM CC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1Cl ZINC000824024482 899370270 /nfs/dbraw/zinc/37/02/70/899370270.db2.gz GNSZVVIJQBJNAF-UHFFFAOYSA-N -1 3 393.781 3.936 20 0 GHADHM CC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1Cl ZINC000824024482 899370281 /nfs/dbraw/zinc/37/02/81/899370281.db2.gz GNSZVVIJQBJNAF-UHFFFAOYSA-N -1 3 393.781 3.936 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3nnn(CC4CCCC4)c3C)n2)s1 ZINC000570637767 899458966 /nfs/dbraw/zinc/45/89/66/899458966.db2.gz RBYHBFVVOUYGEL-UHFFFAOYSA-N -1 3 388.522 3.917 20 0 GHADHM CC(C)[C@@H]1CCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824223059 899465854 /nfs/dbraw/zinc/46/58/54/899465854.db2.gz GJCIZAXJPYHAAF-KRWDZBQOSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)[C@@H]1CCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000824223059 899465864 /nfs/dbraw/zinc/46/58/64/899465864.db2.gz GJCIZAXJPYHAAF-KRWDZBQOSA-N -1 3 379.489 3.888 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)cc1[O-] ZINC000332247777 899514982 /nfs/dbraw/zinc/51/49/82/899514982.db2.gz BRWWEIJZRZRPTG-MRXNPFEDSA-N -1 3 388.489 3.563 20 0 GHADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1F ZINC000332264553 899528717 /nfs/dbraw/zinc/52/87/17/899528717.db2.gz VYZJNPCFNMAFHO-QMMMGPOBSA-N -1 3 375.828 3.821 20 0 GHADHM CC(C)c1noc(CN[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000824371705 899570094 /nfs/dbraw/zinc/57/00/94/899570094.db2.gz OZKZQHQMXFHWNQ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1noc(CN[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000824371705 899570102 /nfs/dbraw/zinc/57/01/02/899570102.db2.gz OZKZQHQMXFHWNQ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM C[C@@H](NC(=O)C(C)(Cl)Cl)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472509 899619727 /nfs/dbraw/zinc/61/97/27/899619727.db2.gz WJJBISPBUXUYAH-LLVKDONJSA-N -1 3 390.274 3.905 20 0 GHADHM C[C@@H](NC(=O)C(C)(Cl)Cl)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472509 899619739 /nfs/dbraw/zinc/61/97/39/899619739.db2.gz WJJBISPBUXUYAH-LLVKDONJSA-N -1 3 390.274 3.905 20 0 GHADHM C[C@@H](NC(=O)CC1CCOCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478610 899623558 /nfs/dbraw/zinc/62/35/58/899623558.db2.gz IEMLCJCJHPEBCY-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)CC1CCOCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478610 899623568 /nfs/dbraw/zinc/62/35/68/899623568.db2.gz IEMLCJCJHPEBCY-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487357 899631163 /nfs/dbraw/zinc/63/11/63/899631163.db2.gz AROCMOUTSJBDJV-AWEZNQCLSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@H](NC(=O)N(C)CC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487357 899631173 /nfs/dbraw/zinc/63/11/73/899631173.db2.gz AROCMOUTSJBDJV-AWEZNQCLSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@H](NC(=O)N(C)C1CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824489447 899632324 /nfs/dbraw/zinc/63/23/24/899632324.db2.gz KXYJGSNUFZPZLB-AWEZNQCLSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](NC(=O)N(C)C1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824489447 899632328 /nfs/dbraw/zinc/63/23/28/899632328.db2.gz KXYJGSNUFZPZLB-AWEZNQCLSA-N -1 3 376.464 3.789 20 0 GHADHM Cn1cc([C@@H]2N(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2(C)C)cn1 ZINC000570915885 899677569 /nfs/dbraw/zinc/67/75/69/899677569.db2.gz AXNQSTMACNESBN-NRFANRHFSA-N -1 3 375.472 3.940 20 0 GHADHM O=S(=O)([N-]c1c(Cl)ncc2ccccc21)c1ccc2nsnc2c1 ZINC001186225714 914369923 /nfs/dbraw/zinc/36/99/23/914369923.db2.gz LPMGMVKLLJBCOQ-UHFFFAOYSA-N -1 3 376.850 3.694 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000332536665 899745752 /nfs/dbraw/zinc/74/57/52/899745752.db2.gz UUNYRSPWORKBMW-HUUCEWRRSA-N -1 3 390.480 3.887 20 0 GHADHM CC=C(C=CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)CC ZINC000825028030 899944256 /nfs/dbraw/zinc/94/42/56/899944256.db2.gz DBJUSLPPGZKURP-MLJMVLIVSA-N -1 3 383.843 3.557 20 0 GHADHM CC=C(C=CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)CC ZINC000825028030 899944260 /nfs/dbraw/zinc/94/42/60/899944260.db2.gz DBJUSLPPGZKURP-MLJMVLIVSA-N -1 3 383.843 3.557 20 0 GHADHM CC[C@H](C)CCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825059605 899959188 /nfs/dbraw/zinc/95/91/88/899959188.db2.gz HNSWTLKLKOPJNE-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@@H](c1nnc(NCc2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000825158875 900020823 /nfs/dbraw/zinc/02/08/23/900020823.db2.gz CUNOAEUYGOJOPT-MRXNPFEDSA-N -1 3 377.477 3.872 20 0 GHADHM CC[C@@H](c1nnc(NCc2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000825158875 900020828 /nfs/dbraw/zinc/02/08/28/900020828.db2.gz CUNOAEUYGOJOPT-MRXNPFEDSA-N -1 3 377.477 3.872 20 0 GHADHM CCCC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CCC1 ZINC000825247668 900050858 /nfs/dbraw/zinc/05/08/58/900050858.db2.gz FVYOWEIZTSMGKB-UHFFFAOYSA-N -1 3 385.859 3.615 20 0 GHADHM CCCC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CCC1 ZINC000825247668 900050868 /nfs/dbraw/zinc/05/08/68/900050868.db2.gz FVYOWEIZTSMGKB-UHFFFAOYSA-N -1 3 385.859 3.615 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001186270306 914408560 /nfs/dbraw/zinc/40/85/60/914408560.db2.gz YPUIACPOAJHTMF-UHFFFAOYSA-N -1 3 399.454 3.576 20 0 GHADHM CCCNc1ccc(Cl)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825333296 900098308 /nfs/dbraw/zinc/09/83/08/900098308.db2.gz VNCPGOGLFGQOQX-UHFFFAOYSA-N -1 3 392.250 3.643 20 0 GHADHM CCCNc1ccc(Cl)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825333296 900098321 /nfs/dbraw/zinc/09/83/21/900098321.db2.gz VNCPGOGLFGQOQX-UHFFFAOYSA-N -1 3 392.250 3.643 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377158 900133263 /nfs/dbraw/zinc/13/32/63/900133263.db2.gz VKHUTKGQEFEFGD-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377158 900133272 /nfs/dbraw/zinc/13/32/72/900133272.db2.gz VKHUTKGQEFEFGD-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CC(C)(COCc1ccccc1)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884493204 900139264 /nfs/dbraw/zinc/13/92/64/900139264.db2.gz ONVJLOJAHXAATD-UHFFFAOYSA-N -1 3 382.416 3.728 20 0 GHADHM COc1ccc(NC(=O)Nc2cc(I)ccc2[O-])c(C)c1 ZINC001202729108 900159895 /nfs/dbraw/zinc/15/98/95/900159895.db2.gz OYZAGPKBKDJNBF-UHFFFAOYSA-N -1 3 398.200 3.958 20 0 GHADHM CCNc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825480980 900213036 /nfs/dbraw/zinc/21/30/36/900213036.db2.gz PERPLIIPIAKPBU-UHFFFAOYSA-N -1 3 377.235 3.858 20 0 GHADHM CCNc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825480980 900213052 /nfs/dbraw/zinc/21/30/52/900213052.db2.gz PERPLIIPIAKPBU-UHFFFAOYSA-N -1 3 377.235 3.858 20 0 GHADHM O=C(Cc1n[nH]c2c1CCCC2)Nc1c([O-])cc(Br)cc1Cl ZINC000843884441 900286219 /nfs/dbraw/zinc/28/62/19/900286219.db2.gz CJIGQYIWWFQLLB-UHFFFAOYSA-N -1 3 384.661 3.591 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000843886805 900289329 /nfs/dbraw/zinc/28/93/29/900289329.db2.gz QZTIZUWVTUXDDA-UHFFFAOYSA-N -1 3 390.480 3.961 20 0 GHADHM CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000843894543 900298713 /nfs/dbraw/zinc/29/87/13/900298713.db2.gz FXDAUJJOLSINOI-NSHDSACASA-N -1 3 393.336 3.552 20 0 GHADHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000573296874 900448821 /nfs/dbraw/zinc/44/88/21/900448821.db2.gz JEPYJBOUJRGRMY-GFCCVEGCSA-N -1 3 398.326 3.601 20 0 GHADHM CCCCc1ncc(CN2CCC[C@@H](O)[C@@H](C)C2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748057 900473670 /nfs/dbraw/zinc/47/36/70/900473670.db2.gz IOFWJDHTZRQCFV-LAUBAEHRSA-N -1 3 399.535 3.565 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)C(C)(C)C)c2)c1 ZINC000844090679 900494959 /nfs/dbraw/zinc/49/49/59/900494959.db2.gz CRKJLOLEGFMBNO-UHFFFAOYSA-N -1 3 386.448 3.532 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1c[n-]c2ccccc2c1=O ZINC000054313965 900812049 /nfs/dbraw/zinc/81/20/49/900812049.db2.gz ZHMACGJMOPIAIX-UHFFFAOYSA-N -1 3 396.874 3.660 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000574613247 900949837 /nfs/dbraw/zinc/94/98/37/900949837.db2.gz HZIMBDYYEXCAPG-INIZCTEOSA-N -1 3 388.537 3.636 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)c1 ZINC001144097379 901062409 /nfs/dbraw/zinc/06/24/09/901062409.db2.gz FBNHXLLKPDVVRC-UHFFFAOYSA-N -1 3 392.459 3.628 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)c1 ZINC001144097379 901062417 /nfs/dbraw/zinc/06/24/17/901062417.db2.gz FBNHXLLKPDVVRC-UHFFFAOYSA-N -1 3 392.459 3.628 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CC(=O)Nc2ccc(F)c([O-])c2)C(F)(F)C1 ZINC001186407177 914505953 /nfs/dbraw/zinc/50/59/53/914505953.db2.gz ROWXSLVOXQOZOQ-UHFFFAOYSA-N -1 3 386.370 3.672 20 0 GHADHM O=C([N-]C1(c2ncc(Br)cn2)CCC1)C(F)(F)Cc1ccccc1 ZINC000886840592 901296730 /nfs/dbraw/zinc/29/67/30/901296730.db2.gz JAHXQSGAXLWTQG-UHFFFAOYSA-N -1 3 396.235 3.613 20 0 GHADHM CCOc1ccc([C@@H](NC(=O)NN=c2nc(C)cc(C)[n-]2)c2ccccc2)cc1 ZINC000047069329 901304209 /nfs/dbraw/zinc/30/42/09/901304209.db2.gz LDPHMRZGZMWNAV-FQEVSTJZSA-N -1 3 391.475 3.908 20 0 GHADHM CCOC(=O)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000047168895 901504652 /nfs/dbraw/zinc/50/46/52/901504652.db2.gz YAACSZLVMXRVFY-KHPPLWFESA-N -1 3 392.411 3.659 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001144317692 901764103 /nfs/dbraw/zinc/76/41/03/901764103.db2.gz SWHYOAOAKHTHNC-UHFFFAOYSA-N -1 3 381.350 3.534 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(C(F)(F)F)c(F)c1F ZINC001186480379 914567983 /nfs/dbraw/zinc/56/79/83/914567983.db2.gz NJRNTGHZWPJDQX-UHFFFAOYSA-N -1 3 385.248 3.590 20 0 GHADHM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1cnc(Cl)c(Cl)c1 ZINC000158760454 902082787 /nfs/dbraw/zinc/08/27/87/902082787.db2.gz JABSMVASUTWQLN-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM Cc1cccc(CN2CC[C@]3(CCN(Cc4c(F)cc([O-])cc4F)C3)C2=O)c1 ZINC001144550530 902362543 /nfs/dbraw/zinc/36/25/43/902362543.db2.gz PDICKUHGNONCPG-QFIPXVFZSA-N -1 3 386.442 3.603 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000263670386 902376904 /nfs/dbraw/zinc/37/69/04/902376904.db2.gz FFUXOTSZHWOWIJ-GJZGRUSLSA-N -1 3 399.491 3.706 20 0 GHADHM [O-]c1cc(F)c(CN2CC(c3ncn4cc(Br)ccc34)C2)c(F)c1 ZINC001144560208 902376906 /nfs/dbraw/zinc/37/69/06/902376906.db2.gz VQPSVQUWDFEITI-UHFFFAOYSA-N -1 3 394.219 3.680 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C4=CCCC4)cc3)CC2)[n-]1 ZINC000290328510 914629959 /nfs/dbraw/zinc/62/99/59/914629959.db2.gz CHELFDDVMCSWIB-UHFFFAOYSA-N -1 3 394.475 3.569 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C4=CCCC4)cc3)CC2)n[n-]1 ZINC000290328510 914629965 /nfs/dbraw/zinc/62/99/65/914629965.db2.gz CHELFDDVMCSWIB-UHFFFAOYSA-N -1 3 394.475 3.569 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144659684 902610861 /nfs/dbraw/zinc/61/08/61/902610861.db2.gz PBFJWFVGOUIZAX-AZUAARDMSA-N -1 3 375.415 3.982 20 0 GHADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1[O-] ZINC000846152886 902722206 /nfs/dbraw/zinc/72/22/06/902722206.db2.gz CFLZDFREHAXDEN-DZGCQCFKSA-N -1 3 376.453 3.617 20 0 GHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)cc1 ZINC000600663214 902794937 /nfs/dbraw/zinc/79/49/37/902794937.db2.gz YPJBWJUZDWMNDV-UHFFFAOYSA-N -1 3 397.880 3.816 20 0 GHADHM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000264188217 902901028 /nfs/dbraw/zinc/90/10/28/902901028.db2.gz DPOONWDCPZQBGI-AWEZNQCLSA-N -1 3 397.425 3.738 20 0 GHADHM O=C(CCC1CCCCC1)[N-]OCC(=O)Nc1ccc(Br)cc1 ZINC000303323484 914675082 /nfs/dbraw/zinc/67/50/82/914675082.db2.gz RUJAJACJHJXYID-UHFFFAOYSA-N -1 3 383.286 3.796 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000131440888 903097268 /nfs/dbraw/zinc/09/72/68/903097268.db2.gz ZYRQSUSLVAXDPO-QMTHXVAHSA-N -1 3 399.310 3.528 20 0 GHADHM Cc1nc([C@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cs1 ZINC000577788303 903192065 /nfs/dbraw/zinc/19/20/65/903192065.db2.gz IZMONWBKHHOVFO-OAHLLOKOSA-N -1 3 375.400 3.549 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000847016947 903399655 /nfs/dbraw/zinc/39/96/55/903399655.db2.gz HARPRBGEFGMVJY-UHFFFAOYSA-N -1 3 384.461 3.624 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000847016947 903399670 /nfs/dbraw/zinc/39/96/70/903399670.db2.gz HARPRBGEFGMVJY-UHFFFAOYSA-N -1 3 384.461 3.624 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C)CCCCC2)cc1Cl ZINC000578100221 903516589 /nfs/dbraw/zinc/51/65/89/903516589.db2.gz CUYQKUYAWVVYHH-UHFFFAOYSA-N -1 3 376.881 3.686 20 0 GHADHM O=C(CC[C@@](F)(Cl)C(F)(F)Br)[N-]C1(C(F)(F)F)CC1 ZINC001146413963 903531389 /nfs/dbraw/zinc/53/13/89/903531389.db2.gz WPBNBQPBBUVCRB-ZETCQYMHSA-N -1 3 376.522 3.870 20 0 GHADHM O=C(NCCc1cnn(-c2ccccc2)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646618686 914726674 /nfs/dbraw/zinc/72/66/74/914726674.db2.gz CVRADNSPXLXFGW-UHFFFAOYSA-N -1 3 375.350 3.569 20 0 GHADHM COCC1(C(=O)[O-])CCN(Cc2c(C)cc(C)nc2OCc2ccccc2)CC1 ZINC000578137562 903550014 /nfs/dbraw/zinc/55/00/14/903550014.db2.gz MMMSVEGGDSFFHM-UHFFFAOYSA-N -1 3 398.503 3.591 20 0 GHADHM Cc1ccc(NC(=O)CSC2CC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000578427223 903834536 /nfs/dbraw/zinc/83/45/36/903834536.db2.gz RJPRPLOHXFYAPJ-UHFFFAOYSA-N -1 3 394.493 3.769 20 0 GHADHM Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147697052 903855024 /nfs/dbraw/zinc/85/50/24/903855024.db2.gz BUAPEBMBAWLLFI-UHFFFAOYSA-N -1 3 382.125 3.774 20 0 GHADHM CC[C@@H]1[C@@H](NC(=O)c2cc(SC)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001147838904 903887501 /nfs/dbraw/zinc/88/75/01/903887501.db2.gz GLSNTCXEWZGVRW-LSDHHAIUSA-N -1 3 380.510 3.632 20 0 GHADHM CCOC(=O)Cc1csc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000887857446 903966011 /nfs/dbraw/zinc/96/60/11/903966011.db2.gz HFFAHTHDPVSLHP-UHFFFAOYSA-N -1 3 399.803 3.630 20 0 GHADHM COC(=O)Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 ZINC001148290490 904037372 /nfs/dbraw/zinc/03/73/72/904037372.db2.gz MLTXUPMFUYWSBS-UHFFFAOYSA-N -1 3 389.407 3.591 20 0 GHADHM COc1cccc(OCC2CCN(C(=O)c3ccc([O-])c(C(C)=O)c3)CC2)c1 ZINC001148661663 904161925 /nfs/dbraw/zinc/16/19/25/904161925.db2.gz CSCCGCXTOOQFSE-UHFFFAOYSA-N -1 3 383.444 3.535 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCc1ccco1 ZINC001148904026 904243133 /nfs/dbraw/zinc/24/31/33/904243133.db2.gz OXEZHIJBAYAEKL-NRFANRHFSA-N -1 3 392.455 3.595 20 0 GHADHM O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000646706081 914795083 /nfs/dbraw/zinc/79/50/83/914795083.db2.gz AYQLSZHLYBEGCO-KXBFYZLASA-N -1 3 379.378 3.559 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc([C@](C)(O)C(F)(F)F)cc3)n[n-]2)o1 ZINC000773001979 904359429 /nfs/dbraw/zinc/35/94/29/904359429.db2.gz PDADBGCZCGRGFZ-KRWDZBQOSA-N -1 3 380.322 3.967 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc([C@](C)(O)C(F)(F)F)cc3)[n-]n2)o1 ZINC000773001979 904359442 /nfs/dbraw/zinc/35/94/42/904359442.db2.gz PDADBGCZCGRGFZ-KRWDZBQOSA-N -1 3 380.322 3.967 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)N3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)cc1 ZINC000579484022 904640922 /nfs/dbraw/zinc/64/09/22/904640922.db2.gz FHQHDLFATUVTSR-QRQCRPRQSA-N -1 3 393.443 3.535 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cccnc1C(F)(F)F ZINC000579508445 904662943 /nfs/dbraw/zinc/66/29/43/904662943.db2.gz ODOAZPCPTAZGAE-LLVKDONJSA-N -1 3 392.786 3.556 20 0 GHADHM COc1cc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)ccc1OC1CCCC1 ZINC000579629484 904756604 /nfs/dbraw/zinc/75/66/04/904756604.db2.gz KTQSBPMXBCYOQF-HNNXBMFYSA-N -1 3 394.475 3.969 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000579663241 904786567 /nfs/dbraw/zinc/78/65/67/904786567.db2.gz FYVOZKWCJNMIHZ-UHFFFAOYSA-N -1 3 387.592 3.524 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccco1)C(O)(c1ccccc1)c1ccccc1 ZINC001186877459 914846838 /nfs/dbraw/zinc/84/68/38/914846838.db2.gz TVFUCJWFEVWHQT-FQEVSTJZSA-N -1 3 385.485 3.519 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc21)C(F)(F)F ZINC001171915189 905145052 /nfs/dbraw/zinc/14/50/52/905145052.db2.gz OGSVUGMOFNKPEJ-XOUADPBQSA-N -1 3 380.410 3.622 20 0 GHADHM Cc1c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)oc2c1C(=O)CCC2 ZINC000176964075 906000631 /nfs/dbraw/zinc/00/06/31/906000631.db2.gz WDGVGRCEIWIPOO-UHFFFAOYSA-N -1 3 384.823 3.653 20 0 GHADHM O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)NN=c1cccn[n-]1 ZINC000190403080 906022576 /nfs/dbraw/zinc/02/25/76/906022576.db2.gz ZGNSZTJBHTYUGU-UHFFFAOYSA-N -1 3 385.777 3.507 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000177192282 906060262 /nfs/dbraw/zinc/06/02/62/906060262.db2.gz JXERARTUNDBVET-CYBMUJFWSA-N -1 3 386.521 3.740 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3C[C@@H]4C[C@@H]4C3)ccc2C)c(C)c1 ZINC000628499823 906171739 /nfs/dbraw/zinc/17/17/39/906171739.db2.gz OWIBYWTXJRFQHJ-KDURUIRLSA-N -1 3 398.528 3.813 20 0 GHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000190651707 906205810 /nfs/dbraw/zinc/20/58/10/906205810.db2.gz ZVQZMTJJYCALLP-QGZVFWFLSA-N -1 3 381.388 3.688 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)c2ccco2)C2CC2)c1 ZINC000179449219 906504441 /nfs/dbraw/zinc/50/44/41/906504441.db2.gz VJTRNTBVMKFPFK-LBPRGKRZSA-N -1 3 395.415 3.900 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(C(C)C)ccc1OC)OCC ZINC001173917057 906740095 /nfs/dbraw/zinc/74/00/95/906740095.db2.gz PHHIUVUMERMEQQ-UHFFFAOYSA-N -1 3 375.469 3.999 20 0 GHADHM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)[O-])cs1 ZINC000629377669 906748324 /nfs/dbraw/zinc/74/83/24/906748324.db2.gz OHRQGDAODREGDP-JQWIXIFHSA-N -1 3 381.295 3.982 20 0 GHADHM O=C(c1ccc(Nc2ncc(Br)cc2[O-])cc1)N1CCCCC1 ZINC001174070969 906809313 /nfs/dbraw/zinc/80/93/13/906809313.db2.gz ARBWVLGQICXHBG-UHFFFAOYSA-N -1 3 376.254 3.919 20 0 GHADHM Cc1cc(F)cc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001174528665 907073661 /nfs/dbraw/zinc/07/36/61/907073661.db2.gz KBIZSJYHMILBAP-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM COc1ccc2ccc(C(=O)N3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)cc2c1 ZINC001174825058 907222970 /nfs/dbraw/zinc/22/29/70/907222970.db2.gz UOFRISGYYYVXCN-SFHVURJKSA-N -1 3 398.459 3.504 20 0 GHADHM Nc1cccc(S(=O)(=O)N(c2ccccc2)c2c(F)ccc([O-])c2F)c1 ZINC001175265876 907476062 /nfs/dbraw/zinc/47/60/62/907476062.db2.gz QSVXLQZDUMVQFG-UHFFFAOYSA-N -1 3 376.384 3.780 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](CCO)c3ccc(Cl)c(F)c3)cc(=O)oc12 ZINC001175333362 907505794 /nfs/dbraw/zinc/50/57/94/907505794.db2.gz XJQZGWJIJTZPET-QGZVFWFLSA-N -1 3 391.826 3.813 20 0 GHADHM c1c(-c2ccccc2)nn(C2CCOCC2)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428332 907548644 /nfs/dbraw/zinc/54/86/44/907548644.db2.gz YKBIAVOREGPLDA-UHFFFAOYSA-N -1 3 387.447 3.825 20 0 GHADHM O=C(NCc1ccco1)c1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001175431562 907550209 /nfs/dbraw/zinc/55/02/09/907550209.db2.gz ITLBBROAKOVPOU-UHFFFAOYSA-N -1 3 394.822 3.787 20 0 GHADHM O=C(c1ccc(Nc2cc(Br)cc(F)c2[O-])cc1)N1CCOCC1 ZINC001175542005 907617357 /nfs/dbraw/zinc/61/73/57/907617357.db2.gz KXFMMGQGRJOWLK-UHFFFAOYSA-N -1 3 395.228 3.510 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000632130396 907950875 /nfs/dbraw/zinc/95/08/75/907950875.db2.gz JAWLAMNAUDZGCU-LBPRGKRZSA-N -1 3 380.413 3.543 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)c(=O)[n-]1 ZINC000186960235 908011807 /nfs/dbraw/zinc/01/18/07/908011807.db2.gz MKMHXMFNDBWMPK-QFIPXVFZSA-N -1 3 387.483 3.790 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(OC(F)(F)F)c1)OCC ZINC001176536419 908162792 /nfs/dbraw/zinc/16/27/92/908162792.db2.gz XXAYDTOWKKFAAL-UHFFFAOYSA-N -1 3 387.358 3.766 20 0 GHADHM Cc1ccccc1Sc1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001176780686 908245940 /nfs/dbraw/zinc/24/59/40/908245940.db2.gz YAEOZSKVAWBEDH-UHFFFAOYSA-N -1 3 393.516 3.754 20 0 GHADHM Cc1ccccc1Sc1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001176780686 908245954 /nfs/dbraw/zinc/24/59/54/908245954.db2.gz YAEOZSKVAWBEDH-UHFFFAOYSA-N -1 3 393.516 3.754 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176853102 908295338 /nfs/dbraw/zinc/29/53/38/908295338.db2.gz PKVFWOQMYCZXGR-QGZVFWFLSA-N -1 3 387.867 3.659 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858587 908298549 /nfs/dbraw/zinc/29/85/49/908298549.db2.gz DOFJPMCZCPSHOU-SNVBAGLBSA-N -1 3 375.881 3.736 20 0 GHADHM C[C@@H](c1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1)C(F)(F)F ZINC001176858722 908298573 /nfs/dbraw/zinc/29/85/73/908298573.db2.gz JYFMCRJWBSZXOI-JTQLQIEISA-N -1 3 377.366 3.881 20 0 GHADHM COC(=O)c1cnc(SCc2c(C)nn(Cc3ccccc3)c2Cl)[n-]1 ZINC000193537818 908501372 /nfs/dbraw/zinc/50/13/72/908501372.db2.gz PXBKVVUOYBVKDP-UHFFFAOYSA-N -1 3 376.869 3.695 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1C(C)C ZINC001177649440 908700725 /nfs/dbraw/zinc/70/07/25/908700725.db2.gz LQJNMBDFIXDWEM-UHFFFAOYSA-N -1 3 391.475 3.607 20 0 GHADHM CCC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001177875153 908770368 /nfs/dbraw/zinc/77/03/68/908770368.db2.gz MJACIRFWGGIFJH-OALUTQOASA-N -1 3 388.556 3.962 20 0 GHADHM CCc1cccc(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000773739103 909006503 /nfs/dbraw/zinc/00/65/03/909006503.db2.gz UJKGCRYJQYPNAC-UHFFFAOYSA-N -1 3 388.508 3.818 20 0 GHADHM CSc1cc(Br)ccc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901677354 921461104 /nfs/dbraw/zinc/46/11/04/921461104.db2.gz JGJSERCWAQIGJY-AWEZNQCLSA-N -1 3 388.327 3.627 20 0 GHADHM CSc1cc(Br)ccc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901677355 921462391 /nfs/dbraw/zinc/46/23/91/921462391.db2.gz JGJSERCWAQIGJY-CQSZACIVSA-N -1 3 388.327 3.627 20 0 GHADHM Cc1ccc2c(C=CC(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)c[nH]c2c1 ZINC001178487199 909077359 /nfs/dbraw/zinc/07/73/59/909077359.db2.gz CFABTLMHFKOPMO-CSKARUKUSA-N -1 3 385.427 3.672 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001178619138 909150343 /nfs/dbraw/zinc/15/03/43/909150343.db2.gz QVHPNDLODXTOKJ-AWEZNQCLSA-N -1 3 376.453 3.571 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000779969620 909195068 /nfs/dbraw/zinc/19/50/68/909195068.db2.gz LRUVGPRCVXIPAZ-UHFFFAOYSA-N -1 3 375.335 3.522 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(OC)cc3OC)nc2)n1 ZINC000068665632 909372184 /nfs/dbraw/zinc/37/21/84/909372184.db2.gz CFHBNZSDPQDAGC-CYBMUJFWSA-N -1 3 380.448 3.585 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc(Br)c2Cl)n1 ZINC000636111355 909432657 /nfs/dbraw/zinc/43/26/57/909432657.db2.gz RWPNJZVWYDGEMF-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000773810232 909453259 /nfs/dbraw/zinc/45/32/59/909453259.db2.gz VFYCBRQCSXDKTD-HOCLYGCPSA-N -1 3 394.487 3.758 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319238 909535428 /nfs/dbraw/zinc/53/54/28/909535428.db2.gz NTGXUOYXJXBXDX-LLVKDONJSA-N -1 3 377.897 3.900 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc2c3c([nH]c21)CCCC3 ZINC000636317361 909535775 /nfs/dbraw/zinc/53/57/75/909535775.db2.gz DNNNYIHRAINXHY-UHFFFAOYSA-N -1 3 376.460 3.740 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317960 909536297 /nfs/dbraw/zinc/53/62/97/909536297.db2.gz NRZATLJYDBAHME-AWEZNQCLSA-N -1 3 383.492 3.831 20 0 GHADHM CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1OCC ZINC000636317639 909536311 /nfs/dbraw/zinc/53/63/11/909536311.db2.gz IKCPNAIDLLAGRB-UHFFFAOYSA-N -1 3 385.464 3.567 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)nn1-c1ccccc1Cl ZINC000636320088 909540155 /nfs/dbraw/zinc/54/01/55/909540155.db2.gz DYBBAUMVKUGEIC-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)cc1 ZINC000636320914 909541313 /nfs/dbraw/zinc/54/13/13/909541313.db2.gz VIVRXTQYABZRCD-NSHDSACASA-N -1 3 390.281 3.632 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000636320307 909541371 /nfs/dbraw/zinc/54/13/71/909541371.db2.gz BAESQNBZTYVLCI-UHFFFAOYSA-N -1 3 387.308 3.677 20 0 GHADHM O=C(CCn1ccc2cc(Cl)ccc21)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320387 909541515 /nfs/dbraw/zinc/54/15/15/909541515.db2.gz MAIZJNSVBWGDBP-UHFFFAOYSA-N -1 3 384.867 3.764 20 0 GHADHM Cc1ccc(F)c(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c1Br ZINC000636357579 909561459 /nfs/dbraw/zinc/56/14/59/909561459.db2.gz HMPBOIQFUWYTSY-VIFPVBQESA-N -1 3 386.246 3.852 20 0 GHADHM CC[C@H]1CCN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])C1 ZINC000268002555 909732462 /nfs/dbraw/zinc/73/24/62/909732462.db2.gz DCLQKUZQXVCANM-AWEZNQCLSA-N -1 3 398.459 3.534 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001179883805 909804135 /nfs/dbraw/zinc/80/41/35/909804135.db2.gz OYVZWZYQZLDUSW-CQSZACIVSA-N -1 3 393.823 3.637 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901787252 921565180 /nfs/dbraw/zinc/56/51/80/921565180.db2.gz ONJIELBBJGLLEH-LJQANCHMSA-N -1 3 395.425 3.696 20 0 GHADHM O=C(OCc1cccc(C(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000795438487 910324636 /nfs/dbraw/zinc/32/46/36/910324636.db2.gz HXSIJXIJTKYKRI-MRXNPFEDSA-N -1 3 375.371 3.678 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C(F)(F)C3(O)CCCCC3)n[n-]2)cc1 ZINC001180842511 910374665 /nfs/dbraw/zinc/37/46/65/910374665.db2.gz HIBQPBFLSXQMFF-UHFFFAOYSA-N -1 3 396.463 3.674 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000269895752 910378491 /nfs/dbraw/zinc/37/84/91/910378491.db2.gz CIIREQRBHCHNNI-VOJFVSQTSA-N -1 3 379.840 3.569 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC001181063764 910510245 /nfs/dbraw/zinc/51/02/45/910510245.db2.gz SRBFRGRPSWUENX-CYBMUJFWSA-N -1 3 382.888 3.813 20 0 GHADHM COc1ccc([C@@H]2CN(C(=O)c3cc4sccc4c([O-])c3)CCO2)cc1OC ZINC001181090151 910528653 /nfs/dbraw/zinc/52/86/53/910528653.db2.gz PWAMLWBGKBEAHV-IBGZPJMESA-N -1 3 399.468 3.838 20 0 GHADHM Cc1cn(CCC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c2ccccc12 ZINC001181207497 910632439 /nfs/dbraw/zinc/63/24/39/910632439.db2.gz DMUVOLNNTDTFHF-UHFFFAOYSA-N -1 3 387.443 3.522 20 0 GHADHM COc1c(F)cc(CC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1F ZINC001181650803 910903057 /nfs/dbraw/zinc/90/30/57/910903057.db2.gz CRYYYODBRGRTBG-UHFFFAOYSA-N -1 3 393.386 3.816 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291277 910953756 /nfs/dbraw/zinc/95/37/56/910953756.db2.gz ACRXREDNGIYCEW-MRVPVSSYSA-N -1 3 378.807 3.733 20 0 GHADHM Cc1cc2cc(CNC(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)ccc2[nH]1 ZINC000640300141 910958639 /nfs/dbraw/zinc/95/86/39/910958639.db2.gz DXWXGJHGMYUMKU-UHFFFAOYSA-N -1 3 385.777 3.632 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1CCC(O)(C(F)(F)F)CC1 ZINC001181733931 910976677 /nfs/dbraw/zinc/97/66/77/910976677.db2.gz QGNAOQIYVRBJAG-UHFFFAOYSA-N -1 3 382.176 3.577 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCCCS2)no1 ZINC000273866875 911070267 /nfs/dbraw/zinc/07/02/67/911070267.db2.gz COPITUJJSDHMIT-ZWNOBZJWSA-N -1 3 387.914 3.721 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C1(Cc2ccccc2)CCCCC1 ZINC001182213570 911304199 /nfs/dbraw/zinc/30/41/99/911304199.db2.gz FTQWEHWZWGIPHP-UHFFFAOYSA-N -1 3 398.459 3.720 20 0 GHADHM COc1ccc(-c2ccc(C)c(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)cn1 ZINC000283722681 911625838 /nfs/dbraw/zinc/62/58/38/911625838.db2.gz YHVUFPUTGBUNRR-UHFFFAOYSA-N -1 3 392.459 3.749 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1 ZINC001182463495 911757847 /nfs/dbraw/zinc/75/78/47/911757847.db2.gz CZWGXSFUWFSXIW-CQSZACIVSA-N -1 3 377.444 3.617 20 0 GHADHM Cc1nc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)cs1 ZINC000901897561 921713865 /nfs/dbraw/zinc/71/38/65/921713865.db2.gz RDXZHVZCMZYWKU-CABCVRRESA-N -1 3 381.295 3.514 20 0 GHADHM O=C(Nc1c(Cl)cccc1C(=O)C(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC001187006549 914935779 /nfs/dbraw/zinc/93/57/79/914935779.db2.gz AZTZZQMHSRHUCG-UHFFFAOYSA-N -1 3 395.728 3.517 20 0 GHADHM O=C(Nc1c(Cl)cccc1C(=O)C(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC001187006549 914935787 /nfs/dbraw/zinc/93/57/87/914935787.db2.gz AZTZZQMHSRHUCG-UHFFFAOYSA-N -1 3 395.728 3.517 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1Cl ZINC001187065530 914998999 /nfs/dbraw/zinc/99/89/99/914998999.db2.gz SHOVYKKTRPBXSB-UHFFFAOYSA-N -1 3 393.679 3.688 20 0 GHADHM O=S(=O)(CCCC1CCOCC1)[N-]c1cc(F)cc(Br)c1F ZINC000647274725 915123895 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O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cncc(Br)c1 ZINC001191867181 918270798 /nfs/dbraw/zinc/27/07/98/918270798.db2.gz XLMLHRDYLAKXQQ-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=C([O-])[C@H](CNCc1cc2n(n1)CCCC2)Cc1ccc(-c2ccccc2)cc1 ZINC000653502949 918271331 /nfs/dbraw/zinc/27/13/31/918271331.db2.gz TYTVLFFQDPFUKQ-NRFANRHFSA-N -1 3 389.499 3.920 20 0 GHADHM COc1cc(OC)c(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1F ZINC001191893453 918283087 /nfs/dbraw/zinc/28/30/87/918283087.db2.gz IDJXAQBTCIFZOL-UHFFFAOYSA-N -1 3 395.786 3.716 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCOc4ccccc43)c2)n1 ZINC000363462963 918289830 /nfs/dbraw/zinc/28/98/30/918289830.db2.gz ZZNODHQUXZNIJX-GOSISDBHSA-N -1 3 375.428 3.916 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1cc(F)c(Br)c(F)c1 ZINC001191997558 918332058 /nfs/dbraw/zinc/33/20/58/918332058.db2.gz NUKDDMMVHLEPIT-UHFFFAOYSA-N -1 3 399.014 3.594 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H](C)CCC=C(C)C)c2)n1 ZINC000296637302 918524187 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3.713 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800262133 919800545 /nfs/dbraw/zinc/80/05/45/919800545.db2.gz GMRKTZYXGHPSBF-GFCCVEGCSA-N -1 3 384.411 3.713 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800262133 919800562 /nfs/dbraw/zinc/80/05/62/919800562.db2.gz GMRKTZYXGHPSBF-GFCCVEGCSA-N -1 3 384.411 3.713 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800512164 920221681 /nfs/dbraw/zinc/22/16/81/920221681.db2.gz IJNRDDSASFAZBU-UHFFFAOYSA-N -1 3 397.410 3.647 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000800608651 920314456 /nfs/dbraw/zinc/31/44/56/920314456.db2.gz RCOCZGIYCWEOOI-SFHVURJKSA-N -1 3 397.475 3.530 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nccs1 ZINC000800917412 920598285 /nfs/dbraw/zinc/59/82/85/920598285.db2.gz VHSXGJFNLBBWGC-INIZCTEOSA-N -1 3 384.910 3.529 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C2CC2)s1 ZINC000800916772 920598426 /nfs/dbraw/zinc/59/84/26/920598426.db2.gz IZWFXVLYZHHABG-MRXNPFEDSA-N -1 3 396.921 3.663 20 0 GHADHM COc1ccccc1[C@H](CNc1nc(C)c(C(=O)[O-])s1)N1CCCCC1 ZINC000900935300 920745018 /nfs/dbraw/zinc/74/50/18/920745018.db2.gz SMDMWSJAHVZNPL-HNNXBMFYSA-N -1 3 375.494 3.797 20 0 GHADHM O=C([O-])c1nn(-c2ccccc2)cc1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000901436451 921104774 /nfs/dbraw/zinc/10/47/74/921104774.db2.gz SPVLJOKSYYEKAD-LJQANCHMSA-N -1 3 391.471 3.609 20 0 GHADHM C[C@H](Oc1ccc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1)C(=O)[O-] ZINC000902102133 921879593 /nfs/dbraw/zinc/87/95/93/921879593.db2.gz UOGDGGGHGKVUID-HNNXBMFYSA-N -1 3 382.460 3.567 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000902133680 921904250 /nfs/dbraw/zinc/90/42/50/921904250.db2.gz BWINTSAUIPMMEV-UHFFFAOYSA-N -1 3 375.856 3.858 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000902238107 922022551 /nfs/dbraw/zinc/02/25/51/922022551.db2.gz FERRPDKJOPYSIU-NRFANRHFSA-N -1 3 389.879 3.749 20 0 GHADHM Cc1cccc(CC2CN(Cc3cn(CC(=O)[O-])nc3-c3ccccc3)C2)c1 ZINC000902467376 922219011 /nfs/dbraw/zinc/21/90/11/922219011.db2.gz WAPWUWBZHNMGQW-UHFFFAOYSA-N -1 3 375.472 3.618 20 0 GHADHM COc1ccc(NCc2ccccc2N2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000802643387 922288376 /nfs/dbraw/zinc/28/83/76/922288376.db2.gz MBNUFLHYJZXBTG-UHFFFAOYSA-N -1 3 389.521 3.669 20 0 GHADHM COc1cc(C)nc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)c1 ZINC000902569080 922307905 /nfs/dbraw/zinc/30/79/05/922307905.db2.gz NFZKHZMVJFUELE-UHFFFAOYSA-N -1 3 379.460 3.958 20 0 GHADHM O=C([N-]CCc1cccnc1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902792202 922500823 /nfs/dbraw/zinc/50/08/23/922500823.db2.gz MDELFPJZPFWJOT-UHFFFAOYSA-N -1 3 379.716 3.600 20 0 GHADHM O=C([N-]C1CCC2(COC2)CC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902967503 922659992 /nfs/dbraw/zinc/65/99/92/922659992.db2.gz JDUAOLSCICXYQL-UHFFFAOYSA-N -1 3 398.759 3.921 20 0 GHADHM O=C([O-])Cc1ccccc1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903632130 923141366 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COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c(C)c1C ZINC000410417530 925638143 /nfs/dbraw/zinc/63/81/43/925638143.db2.gz KSGKSZMTJZVXHT-UHFFFAOYSA-N -1 3 385.489 3.822 20 0 GHADHM O=C(N[C@H](CC(=O)N1CC[C@@H]2CCC[C@H]21)c1ccccc1)c1ccc([O-])cc1 ZINC000681759975 925902077 /nfs/dbraw/zinc/90/20/77/925902077.db2.gz UVCRZXHKSLJKQB-IOMROCGXSA-N -1 3 378.472 3.654 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2nc(C)sc2Br)c(C)s1 ZINC000411113568 926081636 /nfs/dbraw/zinc/08/16/36/926081636.db2.gz XMZCPLOYUKYLHP-UHFFFAOYSA-N -1 3 375.269 3.623 20 0 GHADHM CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000725885472 926479027 /nfs/dbraw/zinc/47/90/27/926479027.db2.gz IPRJOUDPYWEIRC-UHFFFAOYSA-N -1 3 398.466 3.836 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2c(Cl)cccc2Cl)ccc1F ZINC000725991797 926523086 /nfs/dbraw/zinc/52/30/86/926523086.db2.gz BDWRDUHKANFGRS-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1c(Cl)cccc1Cl ZINC000726031291 926533635 /nfs/dbraw/zinc/53/36/35/926533635.db2.gz YQTHVCBZSNUBCK-SECBINFHSA-N -1 3 386.256 3.658 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1nnc2ccccn21 ZINC000726151347 926572684 /nfs/dbraw/zinc/57/26/84/926572684.db2.gz WNHBCEDVLUTXPM-HNNXBMFYSA-N -1 3 378.810 3.988 20 0 GHADHM Cn1c2ccc(CNC(=O)CCCc3ccc([O-])c(F)c3)cc2nc1C1CC1 ZINC000412327454 927336321 /nfs/dbraw/zinc/33/63/21/927336321.db2.gz CIMUDBWYXGTCEH-UHFFFAOYSA-N -1 3 381.451 3.935 20 0 GHADHM C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412338430 927350522 /nfs/dbraw/zinc/35/05/22/927350522.db2.gz SJHGLTCYSVDHOQ-WJPUGNRLSA-N -1 3 388.895 3.727 20 0 GHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N=c3[nH][n-]cc3Br)c2c1 ZINC000412348997 927364488 /nfs/dbraw/zinc/36/44/88/927364488.db2.gz SBYKZXQVXNZJLF-UHFFFAOYSA-N -1 3 385.265 3.889 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)(C)C ZINC000750998934 927974534 /nfs/dbraw/zinc/97/45/34/927974534.db2.gz OXROLUWYUNCDHP-INIZCTEOSA-N -1 3 396.896 3.587 20 0 GHADHM CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccccc1OC ZINC000412983077 928069546 /nfs/dbraw/zinc/06/95/46/928069546.db2.gz LSVXPAYNJXJOLP-UHFFFAOYSA-N -1 3 383.477 3.639 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCO[C@H]3CCCC[C@H]3C)[n-]c(=O)c12 ZINC000412991268 928081734 /nfs/dbraw/zinc/08/17/34/928081734.db2.gz JMCHSPHPWAZBKW-RISCZKNCSA-N -1 3 391.493 3.513 20 0 GHADHM Cc1ccc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC000751227579 928081966 /nfs/dbraw/zinc/08/19/66/928081966.db2.gz DGODWVDPJNWYDO-UHFFFAOYSA-N -1 3 384.476 3.698 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cc(F)ccc1Cl ZINC000751376438 928162772 /nfs/dbraw/zinc/16/27/72/928162772.db2.gz IVYSHDCDOWNIHN-CYBMUJFWSA-N -1 3 398.670 3.798 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])c1cnc(N2CCCCC2)s1 ZINC000751735461 928355285 /nfs/dbraw/zinc/35/52/85/928355285.db2.gz RSKQGPMPTLTHKL-UHFFFAOYSA-N -1 3 398.843 3.671 20 0 GHADHM CC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)CC1 ZINC000752038282 928565803 /nfs/dbraw/zinc/56/58/03/928565803.db2.gz CZQWVKGTOIFVJK-UHFFFAOYSA-N -1 3 396.871 3.810 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C[C@@H](O)c3cccs3)cc2)cc(=O)[n-]1 ZINC000752189265 928670180 /nfs/dbraw/zinc/67/01/80/928670180.db2.gz PEZKADMWRJGYBW-YVEFUNNKSA-N -1 3 398.488 3.853 20 0 GHADHM O=C(C(=Cc1ccc(F)cc1)c1cccs1)N1CCc2c(=O)[n-]cnc2C1 ZINC000752771286 929014982 /nfs/dbraw/zinc/01/49/82/929014982.db2.gz FJFHYYJZCDWYHS-MHWRWJLKSA-N -1 3 381.432 3.508 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000752818713 929037335 /nfs/dbraw/zinc/03/73/35/929037335.db2.gz FRKMYTSKXSYMLZ-HXUWFJFHSA-N -1 3 396.462 3.542 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)n1 ZINC000544346949 929077123 /nfs/dbraw/zinc/07/71/23/929077123.db2.gz WRRVASWTNCSYMO-UHFFFAOYSA-N -1 3 379.445 3.511 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000753132708 929221273 /nfs/dbraw/zinc/22/12/73/929221273.db2.gz MSYXCFMWGXMDED-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000467852382 929509993 /nfs/dbraw/zinc/50/99/93/929509993.db2.gz FJRPKZZASRKRRI-UHFFFAOYSA-N -1 3 376.815 3.819 20 0 GHADHM CC(C)c1nnc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)o1 ZINC000757725511 929783672 /nfs/dbraw/zinc/78/36/72/929783672.db2.gz KFKQSCYNRLHDKD-UHFFFAOYSA-N -1 3 391.225 3.703 20 0 GHADHM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCCc2ccc([O-])c(F)c2)o1 ZINC000469385160 929838487 /nfs/dbraw/zinc/83/84/87/929838487.db2.gz AIRZZISQMYTJIX-IBGZPJMESA-N -1 3 395.434 3.872 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000469411135 929860542 /nfs/dbraw/zinc/86/05/42/929860542.db2.gz BBIWEVCMAOFMBV-LBPRGKRZSA-N -1 3 387.386 3.921 20 0 GHADHM CCc1c([N-]S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)cnn1CC(C)C ZINC000758162876 929953898 /nfs/dbraw/zinc/95/38/98/929953898.db2.gz HLPDYDUZWGPJMJ-UHFFFAOYSA-N -1 3 389.521 3.839 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000469623770 930038147 /nfs/dbraw/zinc/03/81/47/930038147.db2.gz ZUDYHFJRXMFIKN-UHFFFAOYSA-N -1 3 394.319 3.727 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)c1ccc(Cl)c(F)c1 ZINC000758475663 930056852 /nfs/dbraw/zinc/05/68/52/930056852.db2.gz CTPROCXNMWPHQB-IBSYWUHOSA-N -1 3 397.855 3.592 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000759098299 930272873 /nfs/dbraw/zinc/27/28/73/930272873.db2.gz AAFJIDMYHOGNHC-ZBFHGGJFSA-N -1 3 376.497 3.720 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000759098413 930273118 /nfs/dbraw/zinc/27/31/18/930273118.db2.gz FDBYDAQRMAPCRG-GDBMZVCRSA-N -1 3 376.497 3.720 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000759707352 930460347 /nfs/dbraw/zinc/46/03/47/930460347.db2.gz QIODMTGDDWVELX-NEPJUHHUSA-N -1 3 399.285 3.787 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000470229598 930469200 /nfs/dbraw/zinc/46/92/00/930469200.db2.gz ZRJOJGWMAAOCMO-NSHDSACASA-N -1 3 381.398 3.670 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000780589418 930554859 /nfs/dbraw/zinc/55/48/59/930554859.db2.gz KXPPBIBYLFUEOW-DFQSSKMNSA-N -1 3 398.528 3.654 20 0 GHADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc3c(c(Cl)c1)O[C@@H](C)C3)OCO2 ZINC000781116021 930704853 /nfs/dbraw/zinc/70/48/53/930704853.db2.gz XHWSZDHAPCLOHT-JTQLQIEISA-N -1 3 381.837 3.501 20 0 GHADHM CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000547267472 930865236 /nfs/dbraw/zinc/86/52/36/930865236.db2.gz AKYFYSFZDSQFGY-RHSMWYFYSA-N -1 3 388.895 3.837 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)c1c(F)ccc(F)c1F ZINC000781880696 931009183 /nfs/dbraw/zinc/00/91/83/931009183.db2.gz DGDPMXNSVGAEGT-UHFFFAOYSA-N -1 3 378.119 3.867 20 0 GHADHM C/C=C/c1ccc(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000782071211 931080414 /nfs/dbraw/zinc/08/04/14/931080414.db2.gz OXCMQGCLZTVMJK-ZZXKWVIFSA-N -1 3 396.399 3.606 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)N1CCc2ccccc2C1 ZINC000924083484 931188809 /nfs/dbraw/zinc/18/88/09/931188809.db2.gz JWAFCSKKYVYZQV-GFCCVEGCSA-N -1 3 399.397 3.631 20 0 GHADHM O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924084605 931189667 /nfs/dbraw/zinc/18/96/67/931189667.db2.gz UJCKGXSDDMEOEQ-INIZCTEOSA-N -1 3 385.370 3.677 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCNC3=O)c2)cc1 ZINC000782518016 931251496 /nfs/dbraw/zinc/25/14/96/931251496.db2.gz JDMXLUBHEQZWMY-AWEZNQCLSA-N -1 3 387.505 3.839 20 0 GHADHM CCc1cc(CC)nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000557509949 931479906 /nfs/dbraw/zinc/47/99/06/931479906.db2.gz CRCUOFHAABFQHT-UHFFFAOYSA-N -1 3 388.899 3.816 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783551922 931579670 /nfs/dbraw/zinc/57/96/70/931579670.db2.gz HZHWYKIZLATVAP-CQSZACIVSA-N -1 3 382.416 3.763 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCc1ccc(-c2ccccc2)[nH]1)NC(=O)OC(C)(C)C ZINC000783663004 931611511 /nfs/dbraw/zinc/61/15/11/931611511.db2.gz FZCCSAPVLDYPNZ-HNNXBMFYSA-N -1 3 387.480 3.575 20 0 GHADHM CCOc1cccc2cc([C@H](C)N/C=C3\C(=O)[N-]C(=O)c4ccccc43)oc21 ZINC000783679675 931616129 /nfs/dbraw/zinc/61/61/29/931616129.db2.gz VNUZVPWACUZRHV-IGWPVBGESA-N -1 3 376.412 3.793 20 0 GHADHM Cc1cc([C@@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c(C)s1 ZINC000697622649 931690548 /nfs/dbraw/zinc/69/05/48/931690548.db2.gz KBDOVUKPLRWXGG-GFCCVEGCSA-N -1 3 392.525 3.736 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)cc1[O-] ZINC000783938316 931724293 /nfs/dbraw/zinc/72/42/93/931724293.db2.gz KPIRTNKEWBUZJY-SNVBAGLBSA-N -1 3 377.780 3.652 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(Oc2ccccc2)ccn1 ZINC000783945809 931727505 /nfs/dbraw/zinc/72/75/05/931727505.db2.gz BCRZIQZRPBWAOM-UHFFFAOYSA-N -1 3 389.367 3.987 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(Br)s1 ZINC000784143314 931796774 /nfs/dbraw/zinc/79/67/74/931796774.db2.gz OWMHXCCIKRVRCJ-UHFFFAOYSA-N -1 3 395.234 3.932 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(NC(=O)OC(C)(C)C)CCC3)nc2)n1 ZINC000784197500 931812980 /nfs/dbraw/zinc/81/29/80/931812980.db2.gz BXBZCEOOJQIQHZ-UHFFFAOYSA-N -1 3 399.495 3.666 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccccc1OC(F)(F)F ZINC000784539239 931929137 /nfs/dbraw/zinc/92/91/37/931929137.db2.gz SGYFCIREHQNRRA-UHFFFAOYSA-N -1 3 380.278 3.698 20 0 GHADHM C[C@@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1cn(C)c2ccccc12 ZINC000784801188 932006616 /nfs/dbraw/zinc/00/66/16/932006616.db2.gz PUHWYRJUUVCKCA-CYBMUJFWSA-N -1 3 377.400 3.781 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)n[nH]2)cc1C ZINC000784844307 932012459 /nfs/dbraw/zinc/01/24/59/932012459.db2.gz IVRNFKZRKHAPDM-UHFFFAOYSA-N -1 3 390.399 3.806 20 0 GHADHM Cc1ccc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000558571948 932080253 /nfs/dbraw/zinc/08/02/53/932080253.db2.gz WPXYXSDLNJRXQG-BTYIYWSLSA-N -1 3 397.496 3.758 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000797748500 932393517 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COc1ccccc1CO[N-]C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000799093060 932875961 /nfs/dbraw/zinc/87/59/61/932875961.db2.gz IYXAQZCUGNDOQK-UHFFFAOYSA-N -1 3 393.399 3.672 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cccc(Br)c1Cl ZINC000560043818 933033365 /nfs/dbraw/zinc/03/33/65/933033365.db2.gz URPMXAMRBZSVOQ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CSC1(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000799687830 933092142 /nfs/dbraw/zinc/09/21/42/933092142.db2.gz NUTGGCKAHPSSPX-UHFFFAOYSA-N -1 3 395.477 3.679 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NS(=O)(=O)C=Cc3ccccc3F)c2)n1 ZINC000799915857 933166189 /nfs/dbraw/zinc/16/61/89/933166189.db2.gz IGUSJLSZKXTUAY-KHPPLWFESA-N -1 3 399.447 3.963 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1SCc1ccccc1 ZINC000929427780 933417628 /nfs/dbraw/zinc/41/76/28/933417628.db2.gz MKFFXKAIAPGJRA-INIZCTEOSA-N -1 3 382.489 3.612 20 0 GHADHM CC[C@H](CC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccc(C)cc1 ZINC001116241473 933429915 /nfs/dbraw/zinc/42/99/15/933429915.db2.gz XVGOSFDYWVMKAH-OAHLLOKOSA-N -1 3 392.496 3.706 20 0 GHADHM Cc1ccc(N2C(C)=C(C(=O)N(C)C)[C@H](c3ccc([O-])c(F)c3)NC2=S)cc1 ZINC001116378896 933520568 /nfs/dbraw/zinc/52/05/68/933520568.db2.gz GKAAEINSDKGROJ-IBGZPJMESA-N -1 3 399.491 3.638 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc3nc(C(F)F)sc3c2)c(=O)[n-]1 ZINC000560787428 933557820 /nfs/dbraw/zinc/55/78/20/933557820.db2.gz CSSJQTWZBHDTRY-UHFFFAOYSA-N -1 3 378.404 3.918 20 0 GHADHM Cn1nccc1[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000560976053 933752042 /nfs/dbraw/zinc/75/20/42/933752042.db2.gz HMEMZRHRVWIOFA-LJQANCHMSA-N -1 3 375.472 3.736 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccc(F)cc1F ZINC001117747935 934004236 /nfs/dbraw/zinc/00/42/36/934004236.db2.gz VDIXYGOKSHOREO-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1[O-] ZINC001118280418 934126688 /nfs/dbraw/zinc/12/66/88/934126688.db2.gz LOYNMLYIHOZMHM-LSDHHAIUSA-N -1 3 376.453 3.617 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1c(F)cccc1OC(F)(F)F ZINC000561514583 934232652 /nfs/dbraw/zinc/23/26/52/934232652.db2.gz IFDRBUQPXRBFBH-NSHDSACASA-N -1 3 393.383 3.850 20 0 GHADHM Cc1cc(NC(=O)CCc2c(C)nc[n-]c2=O)ccc1NC(=O)OC(C)(C)C ZINC001118833611 934258013 /nfs/dbraw/zinc/25/80/13/934258013.db2.gz QRSIJSTXPJJDGB-UHFFFAOYSA-N -1 3 386.452 3.717 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC001119535985 934366152 /nfs/dbraw/zinc/36/61/52/934366152.db2.gz CWVNAQCTVPJDQE-YPMHNXCESA-N -1 3 387.789 3.815 20 0 GHADHM CC(=O)c1c(F)cncc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001119936266 934421517 /nfs/dbraw/zinc/42/15/17/934421517.db2.gz OMQULWFRZMSJPB-UHFFFAOYSA-N -1 3 391.830 3.637 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2N2CCCC2)c(Cl)c1 ZINC001120546084 934471297 /nfs/dbraw/zinc/47/12/97/934471297.db2.gz OMJQLVYTPRTFOJ-UHFFFAOYSA-N -1 3 393.896 3.564 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC001121719309 934746639 /nfs/dbraw/zinc/74/66/39/934746639.db2.gz FLCPBJNZNQYXFB-UHFFFAOYSA-N -1 3 396.476 3.652 20 0 GHADHM Cc1ccc(-n2c(SCc3ncccc3[O-])nnc2N2CCCCC2)cc1 ZINC000562440023 934864418 /nfs/dbraw/zinc/86/44/18/934864418.db2.gz LXSWRYBJXQKHCY-UHFFFAOYSA-N -1 3 381.505 3.959 20 0 GHADHM O=C([O-])[C@H]1C[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001123286552 935144077 /nfs/dbraw/zinc/14/40/77/935144077.db2.gz YEIRRVYKMSEQNZ-GASCZTMLSA-N -1 3 399.318 3.529 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC)[C@H](C)Cc2ccc(OC)cc2)c1 ZINC001123561260 935225568 /nfs/dbraw/zinc/22/55/68/935225568.db2.gz ZYRLLWOFZQFXRR-OAHLLOKOSA-N -1 3 382.460 3.619 20 0 GHADHM CC(C)CSCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137582372 935601249 /nfs/dbraw/zinc/60/12/49/935601249.db2.gz QHHSORCWJSLQPJ-UHFFFAOYSA-N -1 3 397.338 3.800 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(Br)n[n-]2)cc1 ZINC000828955724 935746192 /nfs/dbraw/zinc/74/61/92/935746192.db2.gz PHMPBHIQMZPWPF-UHFFFAOYSA-N -1 3 396.241 3.763 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(Br)[n-]n2)cc1 ZINC000828955724 935746195 /nfs/dbraw/zinc/74/61/95/935746195.db2.gz PHMPBHIQMZPWPF-UHFFFAOYSA-N -1 3 396.241 3.763 20 0 GHADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1ccccc1N1CCCC1=O)=C2 ZINC000829677582 935843758 /nfs/dbraw/zinc/84/37/58/935843758.db2.gz DEPWJGLCKBCISC-UHFFFAOYSA-N -1 3 398.484 3.551 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(OC2CC2)cc1 ZINC000829728351 935852160 /nfs/dbraw/zinc/85/21/60/935852160.db2.gz BTDLOIBXUZRTGK-LJQANCHMSA-N -1 3 389.473 3.586 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573363045 947708377 /nfs/dbraw/zinc/70/83/77/947708377.db2.gz ATSXKDVNUJTIKM-LQQJCGQDSA-N -1 3 395.507 3.539 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573363045 947708387 /nfs/dbraw/zinc/70/83/87/947708387.db2.gz ATSXKDVNUJTIKM-LQQJCGQDSA-N -1 3 395.507 3.539 20 0 GHADHM C[C@@H](C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651697 947923392 /nfs/dbraw/zinc/92/33/92/947923392.db2.gz PCNVNVUHLXQXSN-SNVBAGLBSA-N -1 3 388.258 3.819 20 0 GHADHM C[C@@H](C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651697 947923397 /nfs/dbraw/zinc/92/33/97/947923397.db2.gz PCNVNVUHLXQXSN-SNVBAGLBSA-N -1 3 388.258 3.819 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Br)cc1 ZINC001535491701 948544359 /nfs/dbraw/zinc/54/43/59/948544359.db2.gz DRHRTXSNGNCKHG-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Br)cc1 ZINC001535491701 948544366 /nfs/dbraw/zinc/54/43/66/948544366.db2.gz DRHRTXSNGNCKHG-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](Nc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001556581867 948555066 /nfs/dbraw/zinc/55/50/66/948555066.db2.gz AAQOLWUKHHXPAZ-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@H](Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001556581867 948555069 /nfs/dbraw/zinc/55/50/69/948555069.db2.gz AAQOLWUKHHXPAZ-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM CC(C)c1ccc(OCC(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001574417142 948766774 /nfs/dbraw/zinc/76/67/74/948766774.db2.gz MFLZEBPDYJFMHW-FQEVSTJZSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)c1ccc(OCC(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001574417142 948766782 /nfs/dbraw/zinc/76/67/82/948766782.db2.gz MFLZEBPDYJFMHW-FQEVSTJZSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)c1ccccc1-n1ccnc1SCc1cncc(-c2nnn[n-]2)c1 ZINC001574420198 948795099 /nfs/dbraw/zinc/79/50/99/948795099.db2.gz PWQFWQIRGYIEPH-UHFFFAOYSA-N -1 3 377.477 3.863 20 0 GHADHM CC(C)c1ccccc1-n1ccnc1SCc1cncc(-c2nn[n-]n2)c1 ZINC001574420198 948795107 /nfs/dbraw/zinc/79/51/07/948795107.db2.gz PWQFWQIRGYIEPH-UHFFFAOYSA-N -1 3 377.477 3.863 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001574083409 948882170 /nfs/dbraw/zinc/88/21/70/948882170.db2.gz SFMROBBYHLIVOO-AUUYWEPGSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001574083409 948882190 /nfs/dbraw/zinc/88/21/90/948882190.db2.gz SFMROBBYHLIVOO-AUUYWEPGSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C2CC2)cc1 ZINC001574083621 948885191 /nfs/dbraw/zinc/88/51/91/948885191.db2.gz WAJAEITVIPFWRG-IBGZPJMESA-N -1 3 377.448 3.786 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C2CC2)cc1 ZINC001574083621 948885212 /nfs/dbraw/zinc/88/52/12/948885212.db2.gz WAJAEITVIPFWRG-IBGZPJMESA-N -1 3 377.448 3.786 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001574087757 948900174 /nfs/dbraw/zinc/90/01/74/948900174.db2.gz AHTNHYGEBVVNBK-UGKGYDQZSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001574087757 948900186 /nfs/dbraw/zinc/90/01/86/948900186.db2.gz AHTNHYGEBVVNBK-UGKGYDQZSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)c1nn(C)cc1NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001574433176 948949606 /nfs/dbraw/zinc/94/96/06/948949606.db2.gz KCFHVKOPEDPQTC-UHFFFAOYSA-N -1 3 388.501 3.727 20 0 GHADHM CC(C)c1nn(C)cc1NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001574433176 948949619 /nfs/dbraw/zinc/94/96/19/948949619.db2.gz KCFHVKOPEDPQTC-UHFFFAOYSA-N -1 3 388.501 3.727 20 0 GHADHM C[C@H](CCn1cccn1)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001574693806 949062912 /nfs/dbraw/zinc/06/29/12/949062912.db2.gz JRIOKNWZOUVTKN-OAHLLOKOSA-N -1 3 375.436 3.746 20 0 GHADHM C[C@H](CCn1cccn1)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001574693806 949062920 /nfs/dbraw/zinc/06/29/20/949062920.db2.gz JRIOKNWZOUVTKN-OAHLLOKOSA-N -1 3 375.436 3.746 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575512863 949146523 /nfs/dbraw/zinc/14/65/23/949146523.db2.gz PQZKTLWYTNQBLE-JTQLQIEISA-N -1 3 393.344 3.858 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575512863 949146533 /nfs/dbraw/zinc/14/65/33/949146533.db2.gz PQZKTLWYTNQBLE-JTQLQIEISA-N -1 3 393.344 3.858 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(C)(C)O3)c2-c2nnn[n-]2)C1 ZINC001574100274 949189896 /nfs/dbraw/zinc/18/98/96/949189896.db2.gz SPXLNBLFNODDIJ-YPMHNXCESA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(C)(C)O3)c2-c2nn[n-]n2)C1 ZINC001574100274 949189902 /nfs/dbraw/zinc/18/99/02/949189902.db2.gz SPXLNBLFNODDIJ-YPMHNXCESA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)(C(=O)OCc1c(F)cccc1Cl)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788512 949195802 /nfs/dbraw/zinc/19/58/02/949195802.db2.gz KXHINKJOOPKRSE-UHFFFAOYSA-N -1 3 392.793 3.819 20 0 GHADHM CC(C)(C(=O)OCc1c(F)cccc1Cl)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788512 949195817 /nfs/dbraw/zinc/19/58/17/949195817.db2.gz KXHINKJOOPKRSE-UHFFFAOYSA-N -1 3 392.793 3.819 20 0 GHADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001576155206 949390133 /nfs/dbraw/zinc/39/01/33/949390133.db2.gz TZAOOUOVNIOOGW-RBZFPXEDSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001576155206 949390155 /nfs/dbraw/zinc/39/01/55/949390155.db2.gz TZAOOUOVNIOOGW-RBZFPXEDSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575264613 949430467 /nfs/dbraw/zinc/43/04/67/949430467.db2.gz PMIIUDNNEIEKMK-BEVDRBHNSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575264613 949430480 /nfs/dbraw/zinc/43/04/80/949430480.db2.gz PMIIUDNNEIEKMK-BEVDRBHNSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(c2ccccc2)CCCC1 ZINC001575265933 949462096 /nfs/dbraw/zinc/46/20/96/949462096.db2.gz VYJMVFCIBKCVLY-TUQDCPSNSA-N -1 3 387.487 3.897 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(c2ccccc2)CCCC1 ZINC001575265933 949462115 /nfs/dbraw/zinc/46/21/15/949462115.db2.gz VYJMVFCIBKCVLY-TUQDCPSNSA-N -1 3 387.487 3.897 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1 ZINC001589659095 949834308 /nfs/dbraw/zinc/83/43/08/949834308.db2.gz CBKOOISMBXIWIE-PXNSSMCTSA-N -1 3 378.900 3.650 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1csc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001573842642 950151612 /nfs/dbraw/zinc/15/16/12/950151612.db2.gz JOTSZAIBOWQWAD-CYBMUJFWSA-N -1 3 379.530 3.554 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC001573843021 950164541 /nfs/dbraw/zinc/16/45/41/950164541.db2.gz OXMGVFOYAZLVMA-MRXNPFEDSA-N -1 3 391.491 3.632 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC001573843021 950164552 /nfs/dbraw/zinc/16/45/52/950164552.db2.gz OXMGVFOYAZLVMA-MRXNPFEDSA-N -1 3 391.491 3.632 20 0 GHADHM C[C@H](CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C ZINC001574752434 950487568 /nfs/dbraw/zinc/48/75/68/950487568.db2.gz CFXUGHFXPQXSGR-CQSZACIVSA-N -1 3 397.479 3.793 20 0 GHADHM CC(C)CC1(C)CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001574168341 950511206 /nfs/dbraw/zinc/51/12/06/950511206.db2.gz ULRIPRFKNMDACK-UHFFFAOYSA-N -1 3 387.553 3.775 20 0 GHADHM CC(C)CC1(C)CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001574168341 950511224 /nfs/dbraw/zinc/51/12/24/950511224.db2.gz ULRIPRFKNMDACK-UHFFFAOYSA-N -1 3 387.553 3.775 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573876088 950659311 /nfs/dbraw/zinc/65/93/11/950659311.db2.gz CRFBDPVYWCDYMR-UHFFFAOYSA-N -1 3 393.491 3.638 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573876088 950659326 /nfs/dbraw/zinc/65/93/26/950659326.db2.gz CRFBDPVYWCDYMR-UHFFFAOYSA-N -1 3 393.491 3.638 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573879742 950734094 /nfs/dbraw/zinc/73/40/94/950734094.db2.gz KOHVAXHJEWGSEV-HZPDHXFCSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573879742 950734112 /nfs/dbraw/zinc/73/41/12/950734112.db2.gz KOHVAXHJEWGSEV-HZPDHXFCSA-N -1 3 378.436 3.675 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC001576216588 950737326 /nfs/dbraw/zinc/73/73/26/950737326.db2.gz DSWLIGSWHAIOMZ-UZLBHIALSA-N -1 3 389.503 3.797 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC001576216588 950737337 /nfs/dbraw/zinc/73/73/37/950737337.db2.gz DSWLIGSWHAIOMZ-UZLBHIALSA-N -1 3 389.503 3.797 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574520808 950753494 /nfs/dbraw/zinc/75/34/94/950753494.db2.gz ZWPDJNZVSBIFRR-MFKMUULPSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574520808 950753507 /nfs/dbraw/zinc/75/35/07/950753507.db2.gz ZWPDJNZVSBIFRR-MFKMUULPSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)s3)c(-c3nnn[n-]3)cc2C1 ZINC001576217383 950760954 /nfs/dbraw/zinc/76/09/54/950760954.db2.gz NHNGSHJONXIYEJ-NSHDSACASA-N -1 3 396.520 3.998 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)s3)c(-c3nn[n-]n3)cc2C1 ZINC001576217383 950760970 /nfs/dbraw/zinc/76/09/70/950760970.db2.gz NHNGSHJONXIYEJ-NSHDSACASA-N -1 3 396.520 3.998 20 0 GHADHM CC1(C)CC(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC(C)(C)C1 ZINC001575639336 950864109 /nfs/dbraw/zinc/86/41/09/950864109.db2.gz REGOBAZDVSXKMU-UHFFFAOYSA-N -1 3 377.439 3.727 20 0 GHADHM CC1(C)CC(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC(C)(C)C1 ZINC001575639336 950864128 /nfs/dbraw/zinc/86/41/28/950864128.db2.gz REGOBAZDVSXKMU-UHFFFAOYSA-N -1 3 377.439 3.727 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001573888707 950876861 /nfs/dbraw/zinc/87/68/61/950876861.db2.gz ZBFSIQRCLXXRJI-HZPDHXFCSA-N -1 3 382.443 3.695 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001573888707 950876876 /nfs/dbraw/zinc/87/68/76/950876876.db2.gz ZBFSIQRCLXXRJI-HZPDHXFCSA-N -1 3 382.443 3.695 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC001575189826 952459038 /nfs/dbraw/zinc/45/90/38/952459038.db2.gz PZHXICXMSMBDJP-UWJYYQICSA-N -1 3 391.519 3.676 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001575189826 952459044 /nfs/dbraw/zinc/45/90/44/952459044.db2.gz PZHXICXMSMBDJP-UWJYYQICSA-N -1 3 391.519 3.676 20 0 GHADHM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001575200685 952497578 /nfs/dbraw/zinc/49/75/78/952497578.db2.gz DZKQGJLPDPSLLJ-LBPRGKRZSA-N -1 3 382.493 3.901 20 0 GHADHM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001575200685 952497584 /nfs/dbraw/zinc/49/75/84/952497584.db2.gz DZKQGJLPDPSLLJ-LBPRGKRZSA-N -1 3 382.493 3.901 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cccc(Br)c1Cl)O2 ZINC001594905869 954674418 /nfs/dbraw/zinc/67/44/18/954674418.db2.gz TYZJMIFMTGCPKP-BGMSHATGSA-N -1 3 388.689 3.605 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCC3(c4ccc(F)cc4F)CC3)o2)C1 ZINC001594918373 954782476 /nfs/dbraw/zinc/78/24/76/954782476.db2.gz SSGNMHFPZUVDKQ-CQSZACIVSA-N -1 3 390.430 3.680 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001357165121 958188353 /nfs/dbraw/zinc/18/83/53/958188353.db2.gz CMSIVNCXYRQCNV-DENIHFKCSA-N -1 3 387.524 3.500 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC001231456741 960604678 /nfs/dbraw/zinc/60/46/78/960604678.db2.gz HOETYXOSPJIUNM-UHFFFAOYSA-N -1 3 392.471 3.747 20 0 GHADHM CCCCO[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1(C)C ZINC001573849153 961120865 /nfs/dbraw/zinc/12/08/65/961120865.db2.gz OIPNZWYMMXGZEX-BPQIPLTHSA-N -1 3 378.513 3.654 20 0 GHADHM C[C@@H](NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314833024 963817722 /nfs/dbraw/zinc/81/77/22/963817722.db2.gz UANRFVOPAKGCSS-CHWSQXEVSA-N -1 3 383.514 3.529 20 0 GHADHM C[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404281195 973717149 /nfs/dbraw/zinc/71/71/49/973717149.db2.gz FBFCNUIFQHSQTJ-FRRDWIJNSA-N -1 3 379.913 3.982 20 0 GHADHM O=C([O-])c1ccc(OCCN2CC[C@@]3(C2)CCc2ccccc2O3)c(Cl)c1 ZINC000577074469 974828448 /nfs/dbraw/zinc/82/84/48/974828448.db2.gz CXPQJIMWPTXBBU-OAQYLSRUSA-N -1 3 387.863 3.887 20 0 GHADHM CC(C)c1[nH]c(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1C(=O)[O-] ZINC001591913087 976355808 /nfs/dbraw/zinc/35/58/08/976355808.db2.gz WXCLIWVTGKGBFF-LSDHHAIUSA-N -1 3 393.528 3.819 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(C)C)cc1 ZINC001591949664 976508668 /nfs/dbraw/zinc/50/86/68/976508668.db2.gz YSKMAUAAHICLFY-LJQANCHMSA-N -1 3 389.540 3.698 20 0 GHADHM CC[C@@]1(CO)CCCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001595381868 980920850 /nfs/dbraw/zinc/92/08/50/980920850.db2.gz ASRYDIRFGNFFGD-HSZRJFAPSA-N -1 3 383.488 3.948 20 0 GHADHM CCC[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC001595624227 981729865 /nfs/dbraw/zinc/72/98/65/981729865.db2.gz PTZQNBMDUGXUMI-CQSZACIVSA-N -1 3 379.913 3.986 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC001594994386 982874318 /nfs/dbraw/zinc/87/43/18/982874318.db2.gz LVOHWACETFIVRW-IAQYHMDHSA-N -1 3 379.844 3.882 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccco1 ZINC001594995363 982892716 /nfs/dbraw/zinc/89/27/16/982892716.db2.gz WBMXRZYUHWHGMC-PXAZEXFGSA-N -1 3 384.436 3.710 20 0 GHADHM CCCN(Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)CC1CCCCC1 ZINC001595891262 982924882 /nfs/dbraw/zinc/92/48/82/982924882.db2.gz QXGMSZHWTVWKHI-UHFFFAOYSA-N -1 3 377.510 3.784 20 0 GHADHM CCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1)CC1CCCCC1 ZINC001595891262 982924887 /nfs/dbraw/zinc/92/48/87/982924887.db2.gz QXGMSZHWTVWKHI-UHFFFAOYSA-N -1 3 377.510 3.784 20 0 GHADHM CCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1)CC1CCCCC1 ZINC001595891262 982924892 /nfs/dbraw/zinc/92/48/92/982924892.db2.gz QXGMSZHWTVWKHI-UHFFFAOYSA-N -1 3 377.510 3.784 20 0 GHADHM CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596237658 983636812 /nfs/dbraw/zinc/63/68/12/983636812.db2.gz QIZMVNIVCVKLLK-IBGZPJMESA-N -1 3 388.895 3.608 20 0 GHADHM C[C@](CNCc1c(F)ccc(C2OCCO2)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001589067036 985206276 /nfs/dbraw/zinc/20/62/76/985206276.db2.gz XHLPATIHPMOYSX-HXUWFJFHSA-N -1 3 393.842 3.657 20 0 GHADHM CC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC12CCCCC2 ZINC001589081114 985247572 /nfs/dbraw/zinc/24/75/72/985247572.db2.gz MQPZDEYDKYCMML-KRWDZBQOSA-N -1 3 398.425 3.698 20 0 GHADHM CCO[C@@H]1C[C@](NCc2nc(-c3c(F)cccc3F)cs2)(C(=O)[O-])C1(C)C ZINC001596838459 985507255 /nfs/dbraw/zinc/50/72/55/985507255.db2.gz SDSVUAOIERLGGN-KUHUBIRLSA-N -1 3 396.459 3.836 20 0 GHADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594534935 986144956 /nfs/dbraw/zinc/14/49/56/986144956.db2.gz KZVDRIQXFWXZBR-HIFRSBDPSA-N -1 3 380.460 3.507 20 0 GHADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594534937 986145485 /nfs/dbraw/zinc/14/54/85/986145485.db2.gz KZVDRIQXFWXZBR-UKRRQHHQSA-N -1 3 380.460 3.507 20 0 GHADHM C[C@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594537635 986161426 /nfs/dbraw/zinc/16/14/26/986161426.db2.gz WVPIRFWDWLMNGZ-ZFWWWQNUSA-N -1 3 391.512 3.573 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594537732 986162156 /nfs/dbraw/zinc/16/21/56/986162156.db2.gz JJYCFAPYPBOTIT-DZGCQCFKSA-N -1 3 380.460 3.507 20 0 GHADHM C[C@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594547747 986231272 /nfs/dbraw/zinc/23/12/72/986231272.db2.gz NWUVXVVXVWXLRJ-HOCLYGCPSA-N -1 3 384.476 3.733 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001597016817 986386740 /nfs/dbraw/zinc/38/67/40/986386740.db2.gz KVIUKVDPCLXQIG-LIRRHRJNSA-N -1 3 385.464 3.596 20 0 GHADHM CCSc1ccc(CN[C@](CC)(COC)C(=O)[O-])c(Br)c1 ZINC001597272420 987321006 /nfs/dbraw/zinc/32/10/06/987321006.db2.gz GCSWFOIDFFWGLU-OAHLLOKOSA-N -1 3 376.316 3.531 20 0 GHADHM CCc1nc(C2CCN([C@@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 ZINC001597664033 988745678 /nfs/dbraw/zinc/74/56/78/988745678.db2.gz WZPOZQOTKZBQMF-OAHLLOKOSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1n[nH]c(C2CCN([C@@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC001597664033 988745684 /nfs/dbraw/zinc/74/56/84/988745684.db2.gz WZPOZQOTKZBQMF-OAHLLOKOSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1oc(CN2CCC(COc3ccc(Cl)nc3)CC2)cc1C(=O)[O-] ZINC001597795877 989349315 /nfs/dbraw/zinc/34/93/15/989349315.db2.gz GMXQEPITFUJMJU-UHFFFAOYSA-N -1 3 378.856 3.880 20 0 GHADHM CC(C)(C)OC(=O)NC/C=C\CNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001590178399 989522658 /nfs/dbraw/zinc/52/26/58/989522658.db2.gz RWAVVEPKLIPHHU-PLNGDYQASA-N -1 3 388.386 3.574 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC001590319536 989756088 /nfs/dbraw/zinc/75/60/88/989756088.db2.gz IUJGIZDKHWGAKK-LBPRGKRZSA-N -1 3 383.514 3.813 20 0 GHADHM CC(C)(C)OC(=O)c1ccccc1OCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001590369628 989858548 /nfs/dbraw/zinc/85/85/48/989858548.db2.gz VKTFBPIWDTZPBK-IBGZPJMESA-N -1 3 397.471 3.705 20 0 GHADHM CCc1cc(=O)[n-]c(CN(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000468271549 1015531873 /nfs/dbraw/zinc/53/18/73/1015531873.db2.gz DVJYZBLGDFUJQE-CYBMUJFWSA-N -1 3 383.414 3.973 20 0 GHADHM CN(C(=O)CN[C@@H](Cc1ccccc1)c1cccs1)c1ccccc1C(=O)[O-] ZINC001598024331 990230016 /nfs/dbraw/zinc/23/00/16/990230016.db2.gz DATDPELBKTZEQY-SFHVURJKSA-N -1 3 394.496 3.983 20 0 GHADHM CN(C[C@@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1)C(=O)OC(C)(C)C ZINC001598460609 991952330 /nfs/dbraw/zinc/95/23/30/991952330.db2.gz XBFYDCJRLJSNLG-AWEZNQCLSA-N -1 3 391.512 3.669 20 0 GHADHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cnc2nccnc2c1 ZINC000545338238 1015787007 /nfs/dbraw/zinc/78/70/07/1015787007.db2.gz BDWAMCLMNZGVKH-UHFFFAOYSA-N -1 3 398.448 3.560 20 0 GHADHM CN1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@@H]1Cc1ccccc1 ZINC001598612012 993795364 /nfs/dbraw/zinc/79/53/64/993795364.db2.gz OXMSRZSGZWFEDB-OALUTQOASA-N -1 3 392.421 3.690 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)[C@@H](c1ccccc1)N(C)C ZINC001593115236 993799275 /nfs/dbraw/zinc/79/92/75/993799275.db2.gz MBJHAZNCGHDXIO-DJJJIMSYSA-N -1 3 380.448 3.679 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000545384932 1015828741 /nfs/dbraw/zinc/82/87/41/1015828741.db2.gz IAAOFEBIUCIFIN-OAHLLOKOSA-N -1 3 387.892 3.733 20 0 GHADHM C[C@H](NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cc(C(=O)[O-])co1 ZINC001593252347 994505409 /nfs/dbraw/zinc/50/54/09/994505409.db2.gz RCHXMGHWHVADFZ-KAMYHZANSA-N -1 3 383.366 3.654 20 0 GHADHM COc1cccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2C)N2CCCC2)c1 ZINC001599657292 994602361 /nfs/dbraw/zinc/60/23/61/994602361.db2.gz MFDRMYKEZGUSOE-HXUWFJFHSA-N -1 3 397.475 3.660 20 0 GHADHM C[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCCOC2=O)cc1 ZINC001593288915 994660542 /nfs/dbraw/zinc/66/05/42/994660542.db2.gz OATKSZNLBDYXHP-HNNXBMFYSA-N -1 3 397.475 3.720 20 0 GHADHM C[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC001593297140 994700325 /nfs/dbraw/zinc/70/03/25/994700325.db2.gz RWODTTQXDXARIF-MRXNPFEDSA-N -1 3 378.472 3.780 20 0 GHADHM C[C@@H](NCc1cccc(C(=O)C(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593305427 994762881 /nfs/dbraw/zinc/76/28/81/994762881.db2.gz 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1020661064 /nfs/dbraw/zinc/66/10/64/1020661064.db2.gz BRABPHFZDMTMPG-OAHLLOKOSA-N -1 3 376.250 3.677 20 0 GHADHM CCC(F)(F)C(C)(C)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000628882745 1020733375 /nfs/dbraw/zinc/73/33/75/1020733375.db2.gz MOJCTCVMVSHIPV-UHFFFAOYSA-N -1 3 392.450 3.673 20 0 GHADHM O=c1[n-]nc(S[C@H]2CCO[C@H](c3cccnc3)C2)n1CCc1ccccc1 ZINC000629099725 1020749680 /nfs/dbraw/zinc/74/96/80/1020749680.db2.gz GXRHIRHNJQAQFV-ROUUACIJSA-N -1 3 382.489 3.634 20 0 GHADHM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)C1=Cc2ccccc2OC1 ZINC000191550742 1020784199 /nfs/dbraw/zinc/78/41/99/1020784199.db2.gz ZFOQEDFMKYKXSL-UHFFFAOYSA-N -1 3 395.362 3.757 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC001156237024 1032935970 /nfs/dbraw/zinc/93/59/70/1032935970.db2.gz HZGGUINWULHTMK-MJGOQNOKSA-N -1 3 380.488 3.534 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(-c3cccc(C(F)(F)F)c3)s2)nn1 ZINC000633729834 1020933273 /nfs/dbraw/zinc/93/32/73/1020933273.db2.gz VMDPWUYGPNLEHB-UHFFFAOYSA-N -1 3 396.398 3.823 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000834551193 1021264936 /nfs/dbraw/zinc/26/49/36/1021264936.db2.gz SILNSPDZQBPUJI-UHFFFAOYSA-N -1 3 393.512 3.568 20 0 GHADHM C/C(=C/C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC001140272122 1021297192 /nfs/dbraw/zinc/29/71/92/1021297192.db2.gz NXOGQBLMAYBOEW-HVDISPMTSA-N -1 3 387.867 3.623 20 0 GHADHM Cc1cc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)ccc1Oc1cccnc1 ZINC000901968960 1021469972 /nfs/dbraw/zinc/46/99/72/1021469972.db2.gz ZHZVDLRUAASFPD-HOTGVXAUSA-N -1 3 380.366 3.877 20 0 GHADHM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001228554701 1032984593 /nfs/dbraw/zinc/98/45/93/1032984593.db2.gz KCHYBOGJDMEMDU-MRXNPFEDSA-N -1 3 375.852 3.997 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)c1ccc(Br)cn1 ZINC000834822148 1021516067 /nfs/dbraw/zinc/51/60/67/1021516067.db2.gz BKQMYONLVWUQBY-JTQLQIEISA-N -1 3 385.208 3.822 20 0 GHADHM O=C([N-]C1CCN(Cc2cnc(-c3cccc(F)c3)s2)CC1)C(F)(F)F ZINC001140420229 1021643699 /nfs/dbraw/zinc/64/36/99/1021643699.db2.gz VFGAQGYBPFLASX-UHFFFAOYSA-N -1 3 387.402 3.592 20 0 GHADHM O=C([O-])c1cnc([C@H]2CCN(CCOc3ccccc3C(F)(F)F)C2)s1 ZINC000903923704 1021656431 /nfs/dbraw/zinc/65/64/31/1021656431.db2.gz AKLZAQMRHALXLZ-NSHDSACASA-N -1 3 386.395 3.728 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001228623283 1033013946 /nfs/dbraw/zinc/01/39/46/1033013946.db2.gz QUXPJVUBDRDHCJ-XJKSGUPXSA-N -1 3 389.448 3.831 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1[C@@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001228623892 1033014355 /nfs/dbraw/zinc/01/43/55/1033014355.db2.gz VDVDFVYCLYQSMY-MRRJBJDNSA-N -1 3 387.432 3.584 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCN1C(=O)OC(C)(C)C ZINC001140547690 1021948928 /nfs/dbraw/zinc/94/89/28/1021948928.db2.gz JNCGEONTMDFYPR-LBPRGKRZSA-N -1 3 385.302 3.596 20 0 GHADHM COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140551238 1021953233 /nfs/dbraw/zinc/95/32/33/1021953233.db2.gz QZFMNGDVDHTJAV-KSSFIOAISA-N -1 3 384.314 3.562 20 0 GHADHM COc1nnc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)[n-]1 ZINC000679319673 1021985023 /nfs/dbraw/zinc/98/50/23/1021985023.db2.gz VCRAFFUHQQZMAD-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM COc1nc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n[n-]1 ZINC000679319673 1021985026 /nfs/dbraw/zinc/98/50/26/1021985026.db2.gz VCRAFFUHQQZMAD-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM COc1n[n-]c(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1 ZINC000679319673 1021985030 /nfs/dbraw/zinc/98/50/30/1021985030.db2.gz VCRAFFUHQQZMAD-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM O=C(c1cccc2n[n-]nc21)N1CCc2cc(Br)c(Cl)cc21 ZINC000682570359 1022361699 /nfs/dbraw/zinc/36/16/99/1022361699.db2.gz OLEYZKUPNHHIAF-UHFFFAOYSA-N -1 3 377.629 3.577 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](c1ccc(C)cc1)C(F)(F)F ZINC001228712779 1033059018 /nfs/dbraw/zinc/05/90/18/1033059018.db2.gz DDAACUKUYWJQAR-CQSZACIVSA-N -1 3 386.395 3.862 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1c(Cl)cncc1Cl ZINC001228713976 1033059165 /nfs/dbraw/zinc/05/91/65/1033059165.db2.gz OQHXAUNWWULKBV-QMMMGPOBSA-N -1 3 388.276 3.713 20 0 GHADHM COc1cc(C(=O)OCCOc2c(Cl)cccc2Cl)cc(OC)c1[O-] ZINC000754255336 1022563606 /nfs/dbraw/zinc/56/36/06/1022563606.db2.gz BOYKQQDZGFDIID-UHFFFAOYSA-N -1 3 387.215 3.952 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)cc(OC)c1[O-] ZINC000754272706 1022575789 /nfs/dbraw/zinc/57/57/89/1022575789.db2.gz UYWJOLKJPAGKEK-CYBMUJFWSA-N -1 3 395.411 3.747 20 0 GHADHM COc1cc(C(=O)OCc2nc(-c3cccs3)oc2C)cc(OC)c1[O-] ZINC000754277406 1022578639 /nfs/dbraw/zinc/57/86/39/1022578639.db2.gz TYNVSFLTCKTCQD-UHFFFAOYSA-N -1 3 375.402 3.791 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(OCc2cccc(F)c2)c1 ZINC000836316924 1022864054 /nfs/dbraw/zinc/86/40/54/1022864054.db2.gz UZIIJMBLTDLIGR-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000836316924 1022864072 /nfs/dbraw/zinc/86/40/72/1022864072.db2.gz UZIIJMBLTDLIGR-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc4nccnc43)nc(=O)c2c1C ZINC000755081335 1023065056 /nfs/dbraw/zinc/06/50/56/1023065056.db2.gz KSUDGZPZQMKESE-SNVBAGLBSA-N -1 3 380.429 3.875 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)C1 ZINC001140987770 1023091624 /nfs/dbraw/zinc/09/16/24/1023091624.db2.gz CWSKQXFPDZMPMY-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ncccc3C(F)(F)F)c2)n1 ZINC000755690274 1023337269 /nfs/dbraw/zinc/33/72/69/1023337269.db2.gz GPNYXJDWINCIFN-UHFFFAOYSA-N -1 3 375.306 3.791 20 0 GHADHM Cc1nc(NC([O-])=NO[C@H](CO)C(C)C)sc1Cc1ccccc1Cl ZINC000836754556 1023340809 /nfs/dbraw/zinc/34/08/09/1023340809.db2.gz KOTNPBBDMHPFNH-CQSZACIVSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C(C)C)sc1Cc1ccccc1Cl ZINC000836754556 1023340815 /nfs/dbraw/zinc/34/08/15/1023340815.db2.gz KOTNPBBDMHPFNH-CQSZACIVSA-N -1 3 383.901 3.766 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]C(=O)C(F)(F)c3nccs3)n2)cc1 ZINC000756719361 1023788086 /nfs/dbraw/zinc/78/80/86/1023788086.db2.gz VRWILYJHBHBSBW-JTQLQIEISA-N -1 3 378.404 3.725 20 0 GHADHM COC(=O)CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000756972237 1023893072 /nfs/dbraw/zinc/89/30/72/1023893072.db2.gz MJUXPXXKSSNABE-HNNXBMFYSA-N -1 3 383.341 3.867 20 0 GHADHM O=C([N-][C@@H](Cn1cccn1)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000757020872 1023909888 /nfs/dbraw/zinc/90/98/88/1023909888.db2.gz WZYHODKYNBAUHU-INIZCTEOSA-N -1 3 377.341 3.811 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cnc2cc(Br)cnc2c1 ZINC001156688802 1033185335 /nfs/dbraw/zinc/18/53/35/1033185335.db2.gz FXAQBHZCTIGCTB-UHFFFAOYSA-N -1 3 386.205 3.553 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001138165181 1024282037 /nfs/dbraw/zinc/28/20/37/1024282037.db2.gz MBNXBSAPMKMONU-UHFFFAOYSA-N -1 3 375.310 3.592 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837543667 1024539904 /nfs/dbraw/zinc/53/99/04/1024539904.db2.gz BMFMQSODBLJQTB-UHFFFAOYSA-N -1 3 397.475 3.535 20 0 GHADHM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837560673 1024553012 /nfs/dbraw/zinc/55/30/12/1024553012.db2.gz VYMBVRZXEIYVCA-CQSZACIVSA-N -1 3 383.231 3.533 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCCN(C(=O)C4CCC4)CC3)cc2)c1 ZINC001141357078 1024687711 /nfs/dbraw/zinc/68/77/11/1024687711.db2.gz AMQCLEYEQDTAGF-UHFFFAOYSA-N -1 3 392.499 3.886 20 0 GHADHM CO[C@@H](C)c1nc(COC(=O)c2cc(Br)c(F)cc2[O-])cs1 ZINC000837780743 1024705259 /nfs/dbraw/zinc/70/52/59/1024705259.db2.gz QOKSDZCRYHNTHH-ZETCQYMHSA-N -1 3 390.230 3.815 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CC[C@@H](Oc4ncc(F)cn4)C3)cc2)c1 ZINC001141361302 1024713520 /nfs/dbraw/zinc/71/35/20/1024713520.db2.gz XYAPBFGKFSIITM-HXUWFJFHSA-N -1 3 393.418 3.634 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccncc2)Cc2ncccc2[O-])C1 ZINC001138395730 1024772383 /nfs/dbraw/zinc/77/23/83/1024772383.db2.gz BWGMUINNRZZBJB-GOSISDBHSA-N -1 3 398.507 3.584 20 0 GHADHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1nc[n-]c1C(F)(F)F ZINC001138507546 1024944220 /nfs/dbraw/zinc/94/42/20/1024944220.db2.gz IGZDVWHPMYARKD-UHFFFAOYSA-N -1 3 387.774 3.777 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cn2ccnc2s1 ZINC001156803873 1033251757 /nfs/dbraw/zinc/25/17/57/1033251757.db2.gz ARZLPZKJTSNUAM-UHFFFAOYSA-N -1 3 375.793 3.834 20 0 GHADHM O=C(Nc1cc(OC(F)(F)F)ccc1[O-])c1cc(=O)c2ccc(F)cc2o1 ZINC001156830116 1033264674 /nfs/dbraw/zinc/26/46/74/1033264674.db2.gz PHHBDZJGBSNNBS-UHFFFAOYSA-N -1 3 383.253 3.789 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000838806147 1025377746 /nfs/dbraw/zinc/37/77/46/1025377746.db2.gz OXKJQQNNGKOMOH-ZDUSSCGKSA-N -1 3 399.329 3.891 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1cccc(N2CCOC2=O)c1 ZINC000838917554 1025442191 /nfs/dbraw/zinc/44/21/91/1025442191.db2.gz PSLYLNRKPLVVBR-LBPRGKRZSA-N -1 3 391.265 3.962 20 0 GHADHM CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138920768 1025587633 /nfs/dbraw/zinc/58/76/33/1025587633.db2.gz HKYXMYSEAVBGHB-UHFFFAOYSA-N -1 3 396.487 3.558 20 0 GHADHM Cc1ncc(NC(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)c(=O)[n-]1 ZINC001162303766 1025708998 /nfs/dbraw/zinc/70/89/98/1025708998.db2.gz WXOKXEQYWVVKHR-AWEZNQCLSA-N -1 3 380.757 3.578 20 0 GHADHM Cc1cc(C(=O)[N-]c2c(C)onc2OC(F)F)nn1-c1cc(C)cc(C)c1 ZINC000839340677 1025822166 /nfs/dbraw/zinc/82/21/66/1025822166.db2.gz XVAJQZQGUXYUQS-UHFFFAOYSA-N -1 3 376.363 3.948 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC001162602005 1025823271 /nfs/dbraw/zinc/82/32/71/1025823271.db2.gz ZBSQQWWHDIZCNQ-ZWKOTPCHSA-N -1 3 384.476 3.967 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c([O-])c1 ZINC001141616057 1025907125 /nfs/dbraw/zinc/90/71/25/1025907125.db2.gz WSRPXCRXHIJFNU-UHFFFAOYSA-N -1 3 384.329 3.693 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2nc(Br)cs2)nc1C(C)C ZINC000839424759 1025913803 /nfs/dbraw/zinc/91/38/03/1025913803.db2.gz GIRMDUBVNLHFQT-UHFFFAOYSA-N -1 3 390.284 3.524 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000839672662 1026189140 /nfs/dbraw/zinc/18/91/40/1026189140.db2.gz YDERBRIPSKSJGN-FQEVSTJZSA-N -1 3 387.863 3.834 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)c([O-])c1 ZINC001163432069 1026191970 /nfs/dbraw/zinc/19/19/70/1026191970.db2.gz PDZZCEAXAPJHCG-LJQANCHMSA-N -1 3 392.293 3.916 20 0 GHADHM Cc1ccc(-c2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)n[nH]2)s1 ZINC001163892870 1026352370 /nfs/dbraw/zinc/35/23/70/1026352370.db2.gz OOEBEVSCQMHJCA-UHFFFAOYSA-N -1 3 386.383 3.819 20 0 GHADHM Cc1ccc(-c2csc3ncnc(NCCCc4c[n-][nH]c4=O)c23)cc1C ZINC001164371722 1026497505 /nfs/dbraw/zinc/49/75/05/1026497505.db2.gz FZBWPGBNWUORTR-HNNXBMFYSA-N -1 3 379.489 3.899 20 0 GHADHM COC(=O)CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC1 ZINC001139851110 1026668234 /nfs/dbraw/zinc/66/82/34/1026668234.db2.gz DRSDAABGYLZWFQ-UHFFFAOYSA-N -1 3 381.472 3.783 20 0 GHADHM CC[C@@H](C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001165770875 1026828840 /nfs/dbraw/zinc/82/88/40/1026828840.db2.gz QXXZACDUHWFHSH-CQSZACIVSA-N -1 3 378.469 3.793 20 0 GHADHM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC001165908080 1026865579 /nfs/dbraw/zinc/86/55/79/1026865579.db2.gz UDRNJQCGXVVKJW-KRWDZBQOSA-N -1 3 385.464 3.624 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)sc1Br ZINC001209919989 1027275567 /nfs/dbraw/zinc/27/55/67/1027275567.db2.gz WIPWPPKQXKYXBW-UHFFFAOYSA-N -1 3 390.299 3.926 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1c2ncsc2ccc1Cl ZINC001209946900 1027291415 /nfs/dbraw/zinc/29/14/15/1027291415.db2.gz LWUYVLNRSLCXMB-UHFFFAOYSA-N -1 3 382.894 3.566 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC001210710215 1027616100 /nfs/dbraw/zinc/61/61/00/1027616100.db2.gz HTILRFKYECBQRB-QGZVFWFLSA-N -1 3 397.493 3.884 20 0 GHADHM FC(F)(F)c1cc2nc([N-]c3cnn4ccccc34)nn2cc1Br ZINC001211094389 1027785813 /nfs/dbraw/zinc/78/58/13/1027785813.db2.gz VRSXXNZEVSTGOG-UHFFFAOYSA-N -1 3 397.158 3.902 20 0 GHADHM CCC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)cc1 ZINC001211165031 1027818085 /nfs/dbraw/zinc/81/80/85/1027818085.db2.gz JFRVMOHACFIQSD-UHFFFAOYSA-N -1 3 379.478 3.541 20 0 GHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001211406190 1027944768 /nfs/dbraw/zinc/94/47/68/1027944768.db2.gz FZRTWEJGAINVMA-LBPRGKRZSA-N -1 3 392.527 3.811 20 0 GHADHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1ccccc1 ZINC001213228921 1028057181 /nfs/dbraw/zinc/05/71/81/1028057181.db2.gz QIJNOMPNTPOBOP-CABCVRRESA-N -1 3 375.462 3.722 20 0 GHADHM [O-]c1cc(Cl)c(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001142108993 1028126932 /nfs/dbraw/zinc/12/69/32/1028126932.db2.gz GGDDLSAYXJKGFQ-FHWLQOOXSA-N -1 3 395.286 3.905 20 0 GHADHM O=C1N(c2cccnc2)CC[C@@]12CCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142108745 1028127494 /nfs/dbraw/zinc/12/74/94/1028127494.db2.gz BEWMPQQXRKBEQP-LJQANCHMSA-N -1 3 392.286 3.723 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)c1 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ZINC001461458599 1069559080 /nfs/dbraw/zinc/55/90/80/1069559080.db2.gz AYLJBFWSKFPODX-KRWDZBQOSA-N -1 3 399.288 3.848 20 0 GHADHM [O-]c1cc(Br)cnc1Nc1ccc(OC(F)(F)F)c(CO)c1 ZINC001214824628 1028925906 /nfs/dbraw/zinc/92/59/06/1028925906.db2.gz CWCCIIRSSVDMDG-UHFFFAOYSA-N -1 3 379.132 3.684 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000841817068 1028964779 /nfs/dbraw/zinc/96/47/79/1028964779.db2.gz FQDSJIKFDPGRCH-GFCCVEGCSA-N -1 3 389.805 3.967 20 0 GHADHM CN1CCN(Cc2cccc(-c3noc(-c4ccc([O-])c(Cl)c4)n3)c2)CC1 ZINC001215341067 1029161688 /nfs/dbraw/zinc/16/16/88/1029161688.db2.gz NXNDWESWHLTSCU-UHFFFAOYSA-N -1 3 384.867 3.510 20 0 GHADHM Cc1cc2ccccc2nc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC001215448210 1029213298 /nfs/dbraw/zinc/21/32/98/1029213298.db2.gz XYVJNQISJDCUDO-UHFFFAOYSA-N -1 3 380.429 3.632 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC001142657357 1029215610 /nfs/dbraw/zinc/21/56/10/1029215610.db2.gz XGOOTAOJWYVXQF-UHFFFAOYSA-N -1 3 378.900 3.653 20 0 GHADHM O=C(c1c(F)cc(Nc2cc(=O)[n-]n2C2CCCC2)cc1F)N1CCCC1 ZINC001215669774 1029336344 /nfs/dbraw/zinc/33/63/44/1029336344.db2.gz XJSWNHBTUUUDQR-UHFFFAOYSA-N -1 3 376.407 3.962 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(F)c(OC(C)C)c1F)OCC ZINC001215727203 1029371916 /nfs/dbraw/zinc/37/19/16/1029371916.db2.gz GAHYNQOFPVATAM-UHFFFAOYSA-N -1 3 397.422 3.933 20 0 GHADHM Cc1coc(-c2cc(NC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)ccc2C)n1 ZINC001215730226 1029372493 /nfs/dbraw/zinc/37/24/93/1029372493.db2.gz PQGDFBNUSMROQW-SNVBAGLBSA-N -1 3 394.357 3.978 20 0 GHADHM COc1ccc2c(CC(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)coc2c1C ZINC001142913617 1029683896 /nfs/dbraw/zinc/68/38/96/1029683896.db2.gz DIGBZXRHBLMZGI-UHFFFAOYSA-N -1 3 385.420 3.609 20 0 GHADHM COc1ccc2c(CC(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)coc2c1C ZINC001142913617 1029683902 /nfs/dbraw/zinc/68/39/02/1029683902.db2.gz DIGBZXRHBLMZGI-UHFFFAOYSA-N -1 3 385.420 3.609 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142913675 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ZINC001150207272 1030449779 /nfs/dbraw/zinc/44/97/79/1030449779.db2.gz MJENBUZVSFLUIV-NSHDSACASA-N -1 3 386.253 3.680 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc5c(c4)CCCC5=O)no3)c21 ZINC001217511547 1030453121 /nfs/dbraw/zinc/45/31/21/1030453121.db2.gz ACFVLINQJMIPCA-UHFFFAOYSA-N -1 3 388.383 3.586 20 0 GHADHM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc([O-])c(F)c2)CC1=O ZINC001150365468 1030507928 /nfs/dbraw/zinc/50/79/28/1030507928.db2.gz BICVSKSXVHGGLF-GOEBONIOSA-N -1 3 384.451 3.714 20 0 GHADHM O=C(N[C@@H]1CCCc2cccnc21)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476808 1030539090 /nfs/dbraw/zinc/53/90/90/1030539090.db2.gz IVZCEOXROBCQCE-MRXNPFEDSA-N -1 3 387.361 3.749 20 0 GHADHM CC(C)n1ccc(NC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)cc1=O ZINC001150477688 1030540922 /nfs/dbraw/zinc/54/09/22/1030540922.db2.gz GRFFLOWJZPTZAJ-UHFFFAOYSA-N -1 3 391.349 3.542 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)OC[C@H]3Cc4ccccc4O3)nc21 ZINC001223399200 1030552908 /nfs/dbraw/zinc/55/29/08/1030552908.db2.gz JMJIVMLVUQBPOV-CWTRNNRKSA-N -1 3 390.798 3.688 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)OC[C@H]3Cc4ccccc4O3)[n-]c21 ZINC001223399200 1030552914 /nfs/dbraw/zinc/55/29/14/1030552914.db2.gz JMJIVMLVUQBPOV-CWTRNNRKSA-N -1 3 390.798 3.688 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)o1)c1cc2cnccc2nc1C(F)(F)F ZINC001150567324 1030571020 /nfs/dbraw/zinc/57/10/20/1030571020.db2.gz XDHYUKWCUQOGQA-UHFFFAOYSA-N -1 3 375.266 3.544 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2csc3c2CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001150820025 1030671739 /nfs/dbraw/zinc/67/17/39/1030671739.db2.gz NFURQPYILFPSII-UHFFFAOYSA-N -1 3 389.477 3.703 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)c1 ZINC001151111772 1030775267 /nfs/dbraw/zinc/77/52/67/1030775267.db2.gz QZLQHKWBJDQIPT-SFHVURJKSA-N -1 3 395.415 3.757 20 0 GHADHM Cc1c2occ(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c2ccc1Cl ZINC001151183945 1030796641 /nfs/dbraw/zinc/79/66/41/1030796641.db2.gz AQRKLJOTTMWTOM-LLVKDONJSA-N -1 3 396.871 3.898 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1nn(C)c2nc(Cl)ccc12 ZINC001151364360 1030877547 /nfs/dbraw/zinc/87/75/47/1030877547.db2.gz GGLJDPFVIAMTNT-UHFFFAOYSA-N -1 3 397.822 3.532 20 0 GHADHM O=C(Nc1ccc(Cn2ccnc2)cc1)c1nc2cc(Br)ccc2[n-]1 ZINC001151827313 1031022614 /nfs/dbraw/zinc/02/26/14/1031022614.db2.gz WNEROHSUSPUMRG-UHFFFAOYSA-N -1 3 396.248 3.823 20 0 GHADHM O=C(N[C@H](CO)c1cccc(Br)c1)c1cc2sccc2c([O-])c1 ZINC001152137465 1031116618 /nfs/dbraw/zinc/11/66/18/1031116618.db2.gz XKNHQIJLEBNZTD-CQSZACIVSA-N -1 3 392.274 3.833 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC(C)(C)C1 ZINC001152329840 1031193600 /nfs/dbraw/zinc/19/36/00/1031193600.db2.gz OENLRTZOGAOUSI-NSHDSACASA-N -1 3 382.382 3.935 20 0 GHADHM O=C(NC[C@@H]1C=CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001153429786 1031587021 /nfs/dbraw/zinc/58/70/21/1031587021.db2.gz VIMOBTBMAGAEIQ-SECBINFHSA-N -1 3 381.657 3.640 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225851450 1031651017 /nfs/dbraw/zinc/65/10/17/1031651017.db2.gz WWCXRZLDLVDEEL-ZJUUUORDSA-N -1 3 393.431 3.808 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1 ZINC001225852214 1031653408 /nfs/dbraw/zinc/65/34/08/1031653408.db2.gz CRRMUXCMCLIVGK-AWEZNQCLSA-N -1 3 385.411 3.773 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001225900029 1031684560 /nfs/dbraw/zinc/68/45/60/1031684560.db2.gz XIZKUMMIICEONV-GOSISDBHSA-N -1 3 380.400 3.536 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1ccc2ccc(C(F)(F)F)cc2n1 ZINC001153775375 1031738105 /nfs/dbraw/zinc/73/81/05/1031738105.db2.gz CILFDPVBQZDSIL-UHFFFAOYSA-N -1 3 379.294 3.589 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1cnc2cccnc2c1[O-] ZINC001153863479 1031777776 /nfs/dbraw/zinc/77/77/76/1031777776.db2.gz PFKBBDLZXCJVKR-UHFFFAOYSA-N -1 3 397.425 3.844 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3[n-]c(=S)ncc3C3CC3)[C@H]2C1 ZINC001226125861 1031800874 /nfs/dbraw/zinc/80/08/74/1031800874.db2.gz YVYSGHSNFWMMTI-QEJZJMRPSA-N -1 3 377.510 3.667 20 0 GHADHM CCCC[C@](CC)(NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1)C(=O)OCC ZINC001153909280 1031806564 /nfs/dbraw/zinc/80/65/64/1031806564.db2.gz UQLOOZWICSGPQT-FQEVSTJZSA-N -1 3 392.883 3.813 20 0 GHADHM C/C=C/C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OCC ZINC001153949525 1031832330 /nfs/dbraw/zinc/83/23/30/1031832330.db2.gz DSEIJBGSACSJPW-LQPUYASZSA-N -1 3 390.224 3.555 20 0 GHADHM O=C(NCc1ccccc1OC1CCOCC1)c1c(O)cc2ccccc2c1[O-] ZINC001154030924 1031888693 /nfs/dbraw/zinc/88/86/93/1031888693.db2.gz QHCGKMSUTWXSJH-UHFFFAOYSA-N -1 3 393.439 3.739 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c3ccccc3)[n-]c2c1 ZINC001154120688 1031937293 /nfs/dbraw/zinc/93/72/93/1031937293.db2.gz QVNDKMAGZKRSMY-IAAUVJCUSA-N -1 3 388.467 3.849 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCC(C)(C)Cc3ccccc3C)[n-]c2c1 ZINC001154120886 1031938734 /nfs/dbraw/zinc/93/87/34/1031938734.db2.gz ZOVFSTDTGVXLDK-UHFFFAOYSA-N -1 3 378.472 3.844 20 0 GHADHM COc1cccc2c(Cl)c(C(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)cnc12 ZINC001154164068 1031961896 /nfs/dbraw/zinc/96/18/96/1031961896.db2.gz LCFIJQXBBNRMOD-UHFFFAOYSA-N -1 3 396.790 3.504 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2C[C@H]3CC[C@@H]([C@H]2F)N3C(=O)OC(C)(C)C)c1O ZINC001226478919 1031974309 /nfs/dbraw/zinc/97/43/09/1031974309.db2.gz JRWQFAHJVUVBPQ-SHPPOPEUSA-N -1 3 395.427 3.558 20 0 GHADHM CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1c([O-])ccc(C(C)=O)c1O ZINC001226482437 1031975395 /nfs/dbraw/zinc/97/53/95/1031975395.db2.gz NEUKFGBQSUFDSU-UKRRQHHQSA-N -1 3 379.453 3.859 20 0 GHADHM CC(=O)c1ccc([O-])c(OC[C@@H]2CO[C@]3(C[C@@H](C)CC[C@@H]3C(C)C)O2)c1O ZINC001226482223 1031975706 /nfs/dbraw/zinc/97/57/06/1031975706.db2.gz LAXZLFHWUUSNNL-DNNRVTFUSA-N -1 3 378.465 3.883 20 0 GHADHM CCOC(=O)[C@@H](Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C1CC1 ZINC001226489556 1031980048 /nfs/dbraw/zinc/98/00/48/1031980048.db2.gz KVAWXOLHZAULET-IBGZPJMESA-N -1 3 380.396 3.886 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154213048 1031988379 /nfs/dbraw/zinc/98/83/79/1031988379.db2.gz IYARHXOGJMWADG-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc12 ZINC001226533045 1031998535 /nfs/dbraw/zinc/99/85/35/1031998535.db2.gz XTAMSNNXLMOFEM-KGLIPLIRSA-N -1 3 389.448 3.974 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc12 ZINC001226533374 1031999922 /nfs/dbraw/zinc/99/99/22/1031999922.db2.gz DWVLGTAVBASWQE-CHWSQXEVSA-N -1 3 375.421 3.584 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596635 1032032783 /nfs/dbraw/zinc/03/27/83/1032032783.db2.gz NFNJGWBQRLXLHX-BBRMVZONSA-N -1 3 389.448 3.913 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)c1ccccc1C(F)(F)F ZINC001157233775 1033485544 /nfs/dbraw/zinc/48/55/44/1033485544.db2.gz KVZINYXAFRNFRT-SFYZADRCSA-N -1 3 380.292 3.823 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001157233517 1033485989 /nfs/dbraw/zinc/48/59/89/1033485989.db2.gz KVZINYXAFRNFRT-HTQZYQBOSA-N -1 3 380.292 3.823 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)o2)cc1 ZINC001157234798 1033487490 /nfs/dbraw/zinc/48/74/90/1033487490.db2.gz SCDCSWSEMOUXQR-NSHDSACASA-N -1 3 393.369 3.597 20 0 GHADHM [O-]c1cc(Br)cnc1CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC001205702400 1033537905 /nfs/dbraw/zinc/53/79/05/1033537905.db2.gz FSWSSRYNQMETGV-AWEZNQCLSA-N -1 3 387.281 3.564 20 0 GHADHM CCOC(=O)[C@H](Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-])C(F)(F)F ZINC001229537096 1033547394 /nfs/dbraw/zinc/54/73/94/1033547394.db2.gz IOSPXYBZAWQINO-KRWDZBQOSA-N -1 3 382.334 3.804 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCC(Oc2nc(=S)[n-]c3sccc32)CC1 ZINC001229570867 1033564209 /nfs/dbraw/zinc/56/42/09/1033564209.db2.gz VIMBMWVASWOXAZ-UHFFFAOYSA-N -1 3 389.477 3.803 20 0 GHADHM Cc1ccn(-c2ccc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)cc2)n1 ZINC001157459389 1033602108 /nfs/dbraw/zinc/60/21/08/1033602108.db2.gz AXRSEWPBTROEQO-UHFFFAOYSA-N -1 3 380.354 3.553 20 0 GHADHM C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccc(Br)cc1 ZINC001157523590 1033637084 /nfs/dbraw/zinc/63/70/84/1033637084.db2.gz DCSKFFCQKABNPZ-LLVKDONJSA-N -1 3 386.249 3.631 20 0 GHADHM CCCCOC(=O)[C@H](C)Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1 ZINC001230131559 1033914406 /nfs/dbraw/zinc/91/44/06/1033914406.db2.gz YFSLQRGVQRBHGT-ZDUSSCGKSA-N -1 3 376.478 3.782 20 0 GHADHM CNc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c(Cl)c1 ZINC001158346075 1034036498 /nfs/dbraw/zinc/03/64/98/1034036498.db2.gz SDIOKGCRTKFJOG-UHFFFAOYSA-N -1 3 384.823 3.714 20 0 GHADHM CNc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c(Cl)c1 ZINC001158346075 1034036514 /nfs/dbraw/zinc/03/65/14/1034036514.db2.gz SDIOKGCRTKFJOG-UHFFFAOYSA-N -1 3 384.823 3.714 20 0 GHADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158345575 1034037154 /nfs/dbraw/zinc/03/71/54/1034037154.db2.gz MQNOLZDRPAAETH-KXBFYZLASA-N -1 3 389.402 3.921 20 0 GHADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158345575 1034037155 /nfs/dbraw/zinc/03/71/55/1034037155.db2.gz MQNOLZDRPAAETH-KXBFYZLASA-N -1 3 389.402 3.921 20 0 GHADHM COc1c(Cl)cccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC001230417816 1034043457 /nfs/dbraw/zinc/04/34/57/1034043457.db2.gz BOWFPAMEKWPKJU-UHFFFAOYSA-N -1 3 399.672 3.816 20 0 GHADHM CCO[C@]12CCC[C@@]1(NC(=O)c1cc(Cc3ccccc3)ccc1[O-])CCO2 ZINC001158558942 1034154416 /nfs/dbraw/zinc/15/44/16/1034154416.db2.gz GGRJXPOXSXSQMW-PKTZIBPZSA-N -1 3 381.472 3.789 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)cc1Cl ZINC001207209192 1034177219 /nfs/dbraw/zinc/17/72/19/1034177219.db2.gz KOFREIZNCLSOIA-UHFFFAOYSA-N -1 3 388.924 3.815 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc(=O)[n-]c3c2SCC3)CC12CCC2 ZINC001230792117 1034228217 /nfs/dbraw/zinc/22/82/17/1034228217.db2.gz LEVMKJLELWPPNP-GFCCVEGCSA-N -1 3 393.509 3.531 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158784943 1034271126 /nfs/dbraw/zinc/27/11/26/1034271126.db2.gz YBWTZDMHBGVOFW-HDJSIYSDSA-N -1 3 398.488 3.592 20 0 GHADHM O=C(NCC[C@@H]1CCC(F)(F)C1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001158836630 1034292696 /nfs/dbraw/zinc/29/26/96/1034292696.db2.gz JSCAALVJHJXGNW-JTQLQIEISA-N -1 3 399.235 3.846 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=O)nc3cccc(F)c31)C2 ZINC001231074914 1034380801 /nfs/dbraw/zinc/38/08/01/1034380801.db2.gz SSUZBGVQCAANGP-CLLJXQQHSA-N -1 3 389.427 3.784 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231078024 1034384008 /nfs/dbraw/zinc/38/40/08/1034384008.db2.gz ZDNADFDBLAVVJT-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1CCOc2cccc(OC)c21 ZINC001231091710 1034392663 /nfs/dbraw/zinc/39/26/63/1034392663.db2.gz ZNARNQXUBOBYDC-GFCCVEGCSA-N -1 3 379.796 3.529 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)CC12CCC2 ZINC001231117514 1034408066 /nfs/dbraw/zinc/40/80/66/1034408066.db2.gz CFCVCDVNGAOMHX-MRXNPFEDSA-N -1 3 385.468 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)CC12CCC2 ZINC001231117514 1034408073 /nfs/dbraw/zinc/40/80/73/1034408073.db2.gz CFCVCDVNGAOMHX-MRXNPFEDSA-N -1 3 385.468 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231120998 1034411811 /nfs/dbraw/zinc/41/18/11/1034411811.db2.gz CGXHTWNNLLQIHH-GOSISDBHSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231120998 1034411817 /nfs/dbraw/zinc/41/18/17/1034411817.db2.gz CGXHTWNNLLQIHH-GOSISDBHSA-N -1 3 393.447 3.738 20 0 GHADHM CCN1CCC[C@H](Oc2cc(Br)c([O-])cc2Br)C1 ZINC001231238879 1034477369 /nfs/dbraw/zinc/47/73/69/1034477369.db2.gz IRVWOASTTQZKEJ-VIFPVBQESA-N -1 3 379.092 3.780 20 0 GHADHM Oc1nc2nc[nH]c2c([N-]C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)n1 ZINC001159204617 1034480578 /nfs/dbraw/zinc/48/05/78/1034480578.db2.gz NPFKAWXREISOQD-UHFFFAOYSA-N -1 3 394.794 3.997 20 0 GHADHM O=C(N[C@H](CO)c1cc(F)ccc1F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001159440798 1034596140 /nfs/dbraw/zinc/59/61/40/1034596140.db2.gz PHAMJFYETHYEFF-OAQYLSRUSA-N -1 3 397.421 3.919 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001159550960 1034658917 /nfs/dbraw/zinc/65/89/17/1034658917.db2.gz BSAYOBAFRPOMNS-LLVKDONJSA-N -1 3 375.222 3.528 20 0 GHADHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc([O-])c(C(F)(F)F)c3)O2)n1 ZINC001231522081 1034673916 /nfs/dbraw/zinc/67/39/16/1034673916.db2.gz LFLPQVKWTUKXKP-BMFZPTHFSA-N -1 3 383.370 3.597 20 0 GHADHM [O-]c1ccc(CN2CC[C@@H](n3cc(Br)cn3)C2)cc1C(F)(F)F ZINC001231527454 1034680116 /nfs/dbraw/zinc/68/01/16/1034680116.db2.gz KSVRRHPHAZXDAD-GFCCVEGCSA-N -1 3 390.203 3.817 20 0 GHADHM O=C1NCCN(Cc2ccc([O-])c(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1 ZINC001231526938 1034680224 /nfs/dbraw/zinc/68/02/24/1034680224.db2.gz VOQNYHNREOXBBA-INIZCTEOSA-N -1 3 384.785 3.738 20 0 GHADHM COc1cc(C)nc(OC2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)n1 ZINC001231527102 1034680930 /nfs/dbraw/zinc/68/09/30/1034680930.db2.gz GOEWPCJRCVCTSJ-UHFFFAOYSA-N -1 3 397.397 3.561 20 0 GHADHM COc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)cc1C(=O)[O-] ZINC001231749335 1034879458 /nfs/dbraw/zinc/87/94/58/1034879458.db2.gz ACVKMYRLQHODMW-ZBFHGGJFSA-N -1 3 392.496 3.519 20 0 GHADHM CCCCOc1ccc(C(=O)NCCN(CC)C(=O)OC(C)(C)C)c([O-])c1 ZINC001160709021 1035040458 /nfs/dbraw/zinc/04/04/58/1035040458.db2.gz ZIQJUYXZUMGVNV-UHFFFAOYSA-N -1 3 380.485 3.558 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(Oc4nccc(C)n4)cc3)c(=O)c2c1 ZINC001160976171 1035110338 /nfs/dbraw/zinc/11/03/38/1035110338.db2.gz NJIBBFSKPAKYLN-UHFFFAOYSA-N -1 3 386.411 3.980 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c([O-])c1 ZINC001161462021 1035236274 /nfs/dbraw/zinc/23/62/74/1035236274.db2.gz LSTPBNYIFYWMNS-GOSISDBHSA-N -1 3 382.504 3.918 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(C3(C)OCCO3)cc2)c([O-])c1 ZINC001161720454 1035290527 /nfs/dbraw/zinc/29/05/27/1035290527.db2.gz QIAZFAVOLZROBE-UHFFFAOYSA-N -1 3 385.460 3.721 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(F)c2F)sc1Br ZINC001209595030 1035321947 /nfs/dbraw/zinc/32/19/47/1035321947.db2.gz UFCZDRHBWGURNI-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c(F)cc1Br ZINC001209652576 1035343053 /nfs/dbraw/zinc/34/30/53/1035343053.db2.gz PGHZNJUZLQFXDY-ZDUSSCGKSA-N -1 3 398.297 3.905 20 0 GHADHM CCOC(=O)C(Cc1ccc(-c2c(F)ccc([O-])c2F)cc1)C(=O)OCC ZINC001241293222 1035551607 /nfs/dbraw/zinc/55/16/07/1035551607.db2.gz DEVCVOJQALYDSH-UHFFFAOYSA-N -1 3 378.371 3.622 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2ccccc2CN2CCOCC2)cc1 ZINC001242000551 1035785861 /nfs/dbraw/zinc/78/58/61/1035785861.db2.gz OWMFHDACDRYFGR-HNNXBMFYSA-N -1 3 392.421 3.925 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC001242448785 1035908930 /nfs/dbraw/zinc/90/89/30/1035908930.db2.gz KAIAYJVSRYHFPC-IBGZPJMESA-N -1 3 376.420 3.591 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC001242448785 1035908936 /nfs/dbraw/zinc/90/89/36/1035908936.db2.gz KAIAYJVSRYHFPC-IBGZPJMESA-N -1 3 376.420 3.591 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1-c1noc(CNC(=O)c2ccccc2[O-])n1 ZINC001248499570 1035917475 /nfs/dbraw/zinc/91/74/75/1035917475.db2.gz HHWYHYNXOYSCMG-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM O=C(c1cccnc1-c1cccc([O-])c1F)N1CCN(Cc2ccccc2)CC1 ZINC001243543613 1036203782 /nfs/dbraw/zinc/20/37/82/1036203782.db2.gz UYENYFIRLMNANX-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM COCc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc(-c2ccnc(C)n2)n1 ZINC001244459863 1036511249 /nfs/dbraw/zinc/51/12/49/1036511249.db2.gz YOSABIDCCFADLO-UHFFFAOYSA-N -1 3 392.337 3.660 20 0 GHADHM [O-]c1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC001244473763 1036518570 /nfs/dbraw/zinc/51/85/70/1036518570.db2.gz ZGWFPXIJVDLHCB-UHFFFAOYSA-N -1 3 394.851 3.534 20 0 GHADHM COc1cc(COc2cccc(-c3cncc(-c4nnn[n-]4)c3)c2)cc(OC)c1 ZINC001245145201 1036781653 /nfs/dbraw/zinc/78/16/53/1036781653.db2.gz AWMFPAPKMMWYLJ-UHFFFAOYSA-N -1 3 389.415 3.525 20 0 GHADHM COc1cc(COc2cccc(-c3cncc(-c4nn[n-]n4)c3)c2)cc(OC)c1 ZINC001245145201 1036781671 /nfs/dbraw/zinc/78/16/71/1036781671.db2.gz AWMFPAPKMMWYLJ-UHFFFAOYSA-N -1 3 389.415 3.525 20 0 GHADHM Cc1ccc(Cl)cc1NC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001245147040 1036782787 /nfs/dbraw/zinc/78/27/87/1036782787.db2.gz MEEYAFVWSNEXTC-UHFFFAOYSA-N -1 3 389.908 3.509 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001278412701 1036960287 /nfs/dbraw/zinc/96/02/87/1036960287.db2.gz BXGDPBNKKGRSAD-STQMWFEESA-N -1 3 376.806 3.677 20 0 GHADHM CN(Cc1nc(-c2cccs2)no1)Cc1cccc([O-])c1Br ZINC001462236402 1070108797 /nfs/dbraw/zinc/10/87/97/1070108797.db2.gz GVCDGKAXMSKUIN-UHFFFAOYSA-N -1 3 380.267 3.898 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c1Cl ZINC001232786386 1038552944 /nfs/dbraw/zinc/55/29/44/1038552944.db2.gz WHTSSCNDWSQPTB-GHTZIAJQSA-N -1 3 388.895 3.781 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1I ZINC001232870232 1038636555 /nfs/dbraw/zinc/63/65/55/1038636555.db2.gz LFVDZHOQUOJOCU-JTQLQIEISA-N -1 3 385.167 3.771 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1 ZINC001232934952 1038714733 /nfs/dbraw/zinc/71/47/33/1038714733.db2.gz AUCDOCIZACJISZ-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM O=C1N(CC2CCCC2)CCC12CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232933528 1038715771 /nfs/dbraw/zinc/71/57/71/1038715771.db2.gz KFQOBVFHSAGXGM-UHFFFAOYSA-N -1 3 378.463 3.675 20 0 GHADHM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1cccc([O-])c1F)C2 ZINC001233051086 1038810119 /nfs/dbraw/zinc/81/01/19/1038810119.db2.gz LLZZYWWWENXPLZ-UHFFFAOYSA-N -1 3 378.451 3.652 20 0 GHADHM FC1(F)CCN(Cc2ccc([S-])cc2)C[C@@]12CCN(c1ncccn1)C2 ZINC001233260391 1039028712 /nfs/dbraw/zinc/02/87/12/1039028712.db2.gz BRIYUDKCLWGCQQ-GOSISDBHSA-N -1 3 376.476 3.503 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001278674874 1039052283 /nfs/dbraw/zinc/05/22/83/1039052283.db2.gz SLRWIIUZUQKHBE-KBPBESRZSA-N -1 3 376.806 3.677 20 0 GHADHM COc1ccc(CN2CCC(n3c(=O)oc4ccccc43)CC2)c(Cl)c1[O-] ZINC001233400516 1039240069 /nfs/dbraw/zinc/24/00/69/1039240069.db2.gz MCZZGMCMJZKVQI-UHFFFAOYSA-N -1 3 388.851 3.799 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ccccc2C(F)(F)F)[n-]1 ZINC001462392553 1070222502 /nfs/dbraw/zinc/22/25/02/1070222502.db2.gz NYJRLRBWERYKLT-AWEZNQCLSA-N -1 3 384.402 3.877 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1c(Cl)ccc([O-])c1F)CCO2 ZINC001234262611 1039943461 /nfs/dbraw/zinc/94/34/61/1039943461.db2.gz APEPOUADIFNGOV-LLVKDONJSA-N -1 3 387.835 3.732 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1Br ZINC001254519788 1040292958 /nfs/dbraw/zinc/29/29/58/1040292958.db2.gz MUJDBQPQSYTVFS-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H](C(=O)c2ccccn2)c2ccccn2)c1C(C)=O ZINC001234790662 1040320737 /nfs/dbraw/zinc/32/07/37/1040320737.db2.gz ITFHZACANIWYGH-JOCHJYFZSA-N -1 3 392.411 3.705 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@@H](c2ccccc2)C1 ZINC001235268367 1040747047 /nfs/dbraw/zinc/74/70/47/1040747047.db2.gz RQGSIQFRNFXXPH-ZIAGYGMSSA-N -1 3 395.429 3.985 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccn2)CCC(F)(F)CC1)c1ccccc1F ZINC001255537567 1041116380 /nfs/dbraw/zinc/11/63/80/1041116380.db2.gz PYIZPZDPTKVENX-UHFFFAOYSA-N -1 3 384.423 3.690 20 0 GHADHM CCCc1c(NC(=O)CCc2c(C)nc[n-]c2=O)cnn1-c1ccccc1C ZINC001255822929 1041323920 /nfs/dbraw/zinc/32/39/20/1041323920.db2.gz DRBOOODGEIKSJO-UHFFFAOYSA-N -1 3 379.464 3.509 20 0 GHADHM O=C([N-]c1cscc1Cl)c1cc(Cn2cc(Br)cn2)on1 ZINC001462553490 1070356068 /nfs/dbraw/zinc/35/60/68/1070356068.db2.gz ANVYNSPQCGHVBO-UHFFFAOYSA-N -1 3 387.646 3.649 20 0 GHADHM COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683694 1041828858 /nfs/dbraw/zinc/82/88/58/1041828858.db2.gz GYBYQTIKSNHXKF-YJBOKZPZSA-N -1 3 384.314 3.562 20 0 GHADHM CCCc1noc([C@@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)n1 ZINC001236697695 1041839117 /nfs/dbraw/zinc/83/91/17/1041839117.db2.gz HKUKTPACPUMTNK-CYBMUJFWSA-N -1 3 380.286 3.870 20 0 GHADHM Cc1cccc(N2CCCN(Cc3ccc(Br)c([O-])c3)CC2)n1 ZINC001236697533 1041839290 /nfs/dbraw/zinc/83/92/90/1041839290.db2.gz FAHQFKJSMJZSPO-UHFFFAOYSA-N -1 3 376.298 3.570 20 0 GHADHM [O-]c1cc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)ccc1F ZINC001236701590 1041841435 /nfs/dbraw/zinc/84/14/35/1041841435.db2.gz KYFZUXWHKOKYGA-SFHVURJKSA-N -1 3 385.483 3.664 20 0 GHADHM [O-]c1cc(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)ccc1Br ZINC001236703644 1041842338 /nfs/dbraw/zinc/84/23/38/1041842338.db2.gz UPRAPZJEUNDQJU-INIZCTEOSA-N -1 3 389.284 3.850 20 0 GHADHM CCOC(=O)c1cc2cc(N3CCN(Cc4cc([O-])cc(F)c4)CC3)ccc2o1 ZINC001237283510 1042122303 /nfs/dbraw/zinc/12/23/03/1042122303.db2.gz OBTOZGNGNCXYNE-UHFFFAOYSA-N -1 3 398.434 3.776 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1ccc2cc(Cl)ccc2c1 ZINC001237548450 1042258897 /nfs/dbraw/zinc/25/88/97/1042258897.db2.gz LMYVXBOGLCPYCC-HNNXBMFYSA-N -1 3 377.853 3.707 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cccc(-c2ccccc2)n1 ZINC001237552822 1042261394 /nfs/dbraw/zinc/26/13/94/1042261394.db2.gz SZAAPAPDOQFOHK-IBGZPJMESA-N -1 3 381.476 3.764 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(N)ccc2Br)c1 ZINC001237776011 1042364155 /nfs/dbraw/zinc/36/41/55/1042364155.db2.gz NWFLHHZIXBQCJO-UHFFFAOYSA-N -1 3 392.278 3.689 20 0 GHADHM O=C1N(CC(F)(F)F)CCC12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001237995716 1042449866 /nfs/dbraw/zinc/44/98/66/1042449866.db2.gz UHSOIGROWZPPIK-UHFFFAOYSA-N -1 3 394.796 3.562 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCN(c2ccc(Br)cc2)CC1 ZINC001238135583 1042500401 /nfs/dbraw/zinc/50/04/01/1042500401.db2.gz IOICKZYYBFXMJE-UHFFFAOYSA-N -1 3 389.293 3.778 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CC2(C1)CCCN(C(=O)OC(C)(C)C)CC2 ZINC001238144828 1042502761 /nfs/dbraw/zinc/50/27/61/1042502761.db2.gz MPMXATJHPQJWSK-UHFFFAOYSA-N -1 3 388.508 3.916 20 0 GHADHM CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238234415 1042527722 /nfs/dbraw/zinc/52/77/22/1042527722.db2.gz JCIPCEITDUIUQP-FQEVSTJZSA-N -1 3 396.462 3.504 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001238234280 1042527747 /nfs/dbraw/zinc/52/77/47/1042527747.db2.gz GMTSFSRCNYEPDC-QFIPXVFZSA-N -1 3 386.442 3.904 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001238236184 1042528084 /nfs/dbraw/zinc/52/80/84/1042528084.db2.gz QPZVISWOQQIQSK-UHFFFAOYSA-N -1 3 397.372 3.650 20 0 GHADHM CN1CCN(Cc2c(Br)ccc([O-])c2F)C[C@@H]1c1ccccc1 ZINC001238308051 1042550217 /nfs/dbraw/zinc/55/02/17/1042550217.db2.gz XLTXXNLFXFFBRM-MRXNPFEDSA-N -1 3 379.273 3.783 20 0 GHADHM CC(C)N1CCC2(CCN(Cc3c(Br)ccc([O-])c3F)CC2)C1=O ZINC001238312436 1042552825 /nfs/dbraw/zinc/55/28/25/1042552825.db2.gz JNKHFOMDDVMPFT-UHFFFAOYSA-N -1 3 399.304 3.517 20 0 GHADHM Cc1cnccc1O[C@@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238313365 1042552897 /nfs/dbraw/zinc/55/28/97/1042552897.db2.gz VLGIFCBUWKWTRS-GFCCVEGCSA-N -1 3 381.245 3.651 20 0 GHADHM O=S(=O)([N-]Cc1c[nH]c2ccccc12)c1ccc(Br)cc1F ZINC001238525007 1042628916 /nfs/dbraw/zinc/62/89/16/1042628916.db2.gz NHFMFCURLYWAAQ-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)NC2CCCCC2)cc1 ZINC001239918265 1042863415 /nfs/dbraw/zinc/86/34/15/1042863415.db2.gz BOTXMADOKCRAGX-UHFFFAOYSA-N -1 3 377.448 3.605 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)NC2CCCCC2)cc1 ZINC001239918265 1042863418 /nfs/dbraw/zinc/86/34/18/1042863418.db2.gz BOTXMADOKCRAGX-UHFFFAOYSA-N -1 3 377.448 3.605 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001291842768 1043494892 /nfs/dbraw/zinc/49/48/92/1043494892.db2.gz TUQASAVNQFWIPA-UHFFFAOYSA-N -1 3 396.393 3.782 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3oc(=O)ccc3c2)s1 ZINC001291871535 1043510017 /nfs/dbraw/zinc/51/00/17/1043510017.db2.gz WXGKUDNCDMZGEB-UHFFFAOYSA-N -1 3 387.417 3.849 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC001291938451 1043538878 /nfs/dbraw/zinc/53/88/78/1043538878.db2.gz CJFCPJDXXBJJCY-UHFFFAOYSA-N -1 3 380.470 3.840 20 0 GHADHM CCCCOc1ncccc1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001292119506 1043597967 /nfs/dbraw/zinc/59/79/67/1043597967.db2.gz BRGYUIAPDMCGRE-UHFFFAOYSA-N -1 3 385.851 3.685 20 0 GHADHM CCCc1ccc([C@@H]([N-]S(=O)(=O)Cc2noc(C)n2)c2cccs2)cc1 ZINC001462738615 1070511596 /nfs/dbraw/zinc/51/15/96/1070511596.db2.gz HEJHEKRIXMKRCZ-GOSISDBHSA-N -1 3 391.518 3.601 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@@H]1C1CCC1 ZINC001292735358 1043854283 /nfs/dbraw/zinc/85/42/83/1043854283.db2.gz HYOLIIQPBLHXBC-CQSZACIVSA-N -1 3 380.366 3.831 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(C)(C)O3)cc1OC ZINC001257118398 1043863591 /nfs/dbraw/zinc/86/35/91/1043863591.db2.gz SVCMSLLTRMEGQX-UHFFFAOYSA-N -1 3 377.462 3.608 20 0 GHADHM O=C(c1cccc([O-])c1Cl)N1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001278996694 1043906350 /nfs/dbraw/zinc/90/63/50/1043906350.db2.gz QYIWOSOWCUAXSZ-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cn2)CC1)c1cccc(Cl)c1Cl ZINC001257305881 1043961273 /nfs/dbraw/zinc/96/12/73/1043961273.db2.gz DVVQTTJULDALBV-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc(F)c1[O-] ZINC001293084019 1044014895 /nfs/dbraw/zinc/01/48/95/1044014895.db2.gz LHBSPMPMDSLYLV-UHFFFAOYSA-N -1 3 376.859 3.827 20 0 GHADHM COc1c(F)ccc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)c1F ZINC001257515331 1044030288 /nfs/dbraw/zinc/03/02/88/1044030288.db2.gz IVWUCBAIZVWNHT-UHFFFAOYSA-N -1 3 388.244 3.820 20 0 GHADHM COc1cccnc1[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C1CC1 ZINC001257535302 1044032483 /nfs/dbraw/zinc/03/24/83/1044032483.db2.gz BQAQASNURIPNLG-GFCCVEGCSA-N -1 3 393.317 3.888 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(F)c1 ZINC001257775433 1044164764 /nfs/dbraw/zinc/16/47/64/1044164764.db2.gz CCCJNYFSGJPYIN-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1Br)c1c(Cl)cccc1Cl ZINC001257786070 1044172055 /nfs/dbraw/zinc/17/20/55/1044172055.db2.gz WAYMFBMRYHHWPI-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001257863036 1044228232 /nfs/dbraw/zinc/22/82/32/1044228232.db2.gz CXSUVERJSZGDDT-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc3sccc3c([O-])c2)n1 ZINC001293949661 1044391409 /nfs/dbraw/zinc/39/14/09/1044391409.db2.gz JZPQNGFNPSJACK-GFCCVEGCSA-N -1 3 389.477 3.996 20 0 GHADHM CCc1ccc(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001294114978 1044477688 /nfs/dbraw/zinc/47/76/88/1044477688.db2.gz OMJMJJKOKNKMBK-QGZVFWFLSA-N -1 3 378.513 3.966 20 0 GHADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc([O-])cc(Br)c1 ZINC001294655932 1044749986 /nfs/dbraw/zinc/74/99/86/1044749986.db2.gz QANXPIWQNOQZEN-JTQLQIEISA-N -1 3 380.213 3.685 20 0 GHADHM CN(CCO)c1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001295088797 1044910597 /nfs/dbraw/zinc/91/05/97/1044910597.db2.gz PROKRHJSGPQFMQ-UHFFFAOYSA-N -1 3 390.483 3.858 20 0 GHADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc2o1 ZINC001258972500 1044912311 /nfs/dbraw/zinc/91/23/11/1044912311.db2.gz CBMMKLUZPJVZBR-VOJFVSQTSA-N -1 3 396.896 3.927 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)c(Cl)c1F)C(=O)C2 ZINC001258986000 1044918855 /nfs/dbraw/zinc/91/88/55/1044918855.db2.gz SKIOEINORHVQBC-JDNHERCYSA-N -1 3 377.840 3.755 20 0 GHADHM COc1cccc(C(F)(F)F)c1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259042842 1044932376 /nfs/dbraw/zinc/93/23/76/1044932376.db2.gz JMDPDCSOYJQDIL-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(F)c(Br)c1 ZINC001259072162 1044948159 /nfs/dbraw/zinc/94/81/59/1044948159.db2.gz GBNSLILTYIAJLJ-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Br)c1ccc(F)c(F)c1 ZINC001259084780 1044953695 /nfs/dbraw/zinc/95/36/95/1044953695.db2.gz LALCRYDUEAFFQF-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1C(F)(F)F)C1CC1)c1ccc(F)c(F)c1 ZINC001259095935 1044959750 /nfs/dbraw/zinc/95/97/50/1044959750.db2.gz VYCPPBHBIPTSTI-AWEZNQCLSA-N -1 3 392.349 3.808 20 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CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)c1cccc2ccccc21 ZINC001260025000 1045360721 /nfs/dbraw/zinc/36/07/21/1045360721.db2.gz URYZFDJTKWTCJW-NRFANRHFSA-N -1 3 397.496 3.872 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c(F)c1 ZINC001260086159 1045376553 /nfs/dbraw/zinc/37/65/53/1045376553.db2.gz XAIOJNWHZGRSHW-UHFFFAOYSA-N -1 3 388.420 3.660 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c(Cl)n1 ZINC001260250084 1045428574 /nfs/dbraw/zinc/42/85/74/1045428574.db2.gz OGBZIHXPPDABML-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F ZINC001260308518 1045452537 /nfs/dbraw/zinc/45/25/37/1045452537.db2.gz DBAYCGSFDMALHZ-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=c1[nH]cc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260365990 1045476120 /nfs/dbraw/zinc/47/61/20/1045476120.db2.gz GZUJCTVLSQNMLL-UHFFFAOYSA-N -1 3 396.255 3.957 20 0 GHADHM O=S(=O)([N-]CCc1coc2ccccc12)c1ccc(Br)cc1F ZINC001260380917 1045483883 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C[C@@H](NC(=O)C(C)(C)CCCc1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297608300 1045585905 /nfs/dbraw/zinc/58/59/05/1045585905.db2.gz ACUQBMNDTHUDIS-DLBZAZTESA-N -1 3 397.519 3.916 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])CCCC2)c1 ZINC001297611026 1045587183 /nfs/dbraw/zinc/58/71/83/1045587183.db2.gz UDSOKKDXAZXPNY-SJORKVTESA-N -1 3 395.503 3.687 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(C)cc1Br ZINC001260649436 1045589789 /nfs/dbraw/zinc/58/97/89/1045589789.db2.gz AWDNEEBJMDFHAU-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2Br)c(F)cc1F ZINC001462935990 1070674289 /nfs/dbraw/zinc/67/42/89/1070674289.db2.gz OEBYOSFEEQIFQI-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cnc3ccccc3c2Cl)c1 ZINC001260803775 1045674459 /nfs/dbraw/zinc/67/44/59/1045674459.db2.gz AJMFLPLERCTYFQ-UHFFFAOYSA-N -1 3 375.837 3.647 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2C)c1 ZINC001260845442 1045709021 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COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC001261063852 1045882562 /nfs/dbraw/zinc/88/25/62/1045882562.db2.gz MEDJFWKDDOENOF-ZETCQYMHSA-N -1 3 395.836 3.506 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)C=CCCC2 ZINC001300913248 1046238237 /nfs/dbraw/zinc/23/82/37/1046238237.db2.gz ILIOOVMZCJMCPG-UHFFFAOYSA-N -1 3 396.921 3.668 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C(C)(C)C(=O)Nc1ccccc1 ZINC001301469723 1046553805 /nfs/dbraw/zinc/55/38/05/1046553805.db2.gz FHJBCPGVTUYRLT-UHFFFAOYSA-N -1 3 396.821 3.974 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001301570556 1046604444 /nfs/dbraw/zinc/60/44/44/1046604444.db2.gz HEWGPUMIPLPHIR-CQSZACIVSA-N -1 3 387.892 3.733 20 0 GHADHM Cc1cccc(CO[N-]C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001301635814 1046634006 /nfs/dbraw/zinc/63/40/06/1046634006.db2.gz TXZPNHBREQWBQE-WBVHZDCISA-N -1 3 391.512 3.611 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccc(C)cc3F)nc2C)[n-]1 ZINC001301976414 1046773256 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GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001334778709 1051976662 /nfs/dbraw/zinc/97/66/62/1051976662.db2.gz YGSNXZUCOZKXBR-UHFFFAOYSA-N -1 3 387.789 3.959 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC001342563879 1053240965 /nfs/dbraw/zinc/24/09/65/1053240965.db2.gz YJZAOWGSSCNVKK-MRXNPFEDSA-N -1 3 396.470 3.681 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001317864361 1054283517 /nfs/dbraw/zinc/28/35/17/1054283517.db2.gz ZZVNKZCOPXLZGU-UHFFFAOYSA-N -1 3 376.412 3.516 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC001318087675 1054397020 /nfs/dbraw/zinc/39/70/20/1054397020.db2.gz UGXNEKYNODFZBL-UHFFFAOYSA-N -1 3 394.500 3.686 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccccc1Sc1ccccc1 ZINC001318584494 1054733241 /nfs/dbraw/zinc/73/32/41/1054733241.db2.gz MNZHHZFTHIAOIO-UHFFFAOYSA-N -1 3 379.485 3.891 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCC/C=C\c1ccc(Br)cc1 ZINC001318609107 1054748018 /nfs/dbraw/zinc/74/80/18/1054748018.db2.gz ZRPTXFBJULGDEF-RQOWECAXSA-N -1 3 391.265 3.832 20 0 GHADHM CC[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345075539 1054888003 /nfs/dbraw/zinc/88/80/03/1054888003.db2.gz WJYCDIWYCQUTME-YKSBVNFPSA-N -1 3 394.515 3.806 20 0 GHADHM CC(C)c1ccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001319062746 1055017260 /nfs/dbraw/zinc/01/72/60/1055017260.db2.gz NWJTVNMHJSQOHG-UHFFFAOYSA-N -1 3 379.457 3.642 20 0 GHADHM CCOc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc(Cl)c1[O-] ZINC001320336981 1055760914 /nfs/dbraw/zinc/76/09/14/1055760914.db2.gz UWAXYGGLRGACIL-SJLPKXTDSA-N -1 3 392.858 3.759 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1ccc(Cl)nc1C(F)(F)F ZINC001320794161 1055964086 /nfs/dbraw/zinc/96/40/86/1055964086.db2.gz CRZGUFIZKOQZKP-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)ccc1F ZINC001200509302 1056170941 /nfs/dbraw/zinc/17/09/41/1056170941.db2.gz CZHSFVSPPVYHOB-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC001322181151 1056556811 /nfs/dbraw/zinc/55/68/11/1056556811.db2.gz GWPDFTYNOWKVRZ-UHFFFAOYSA-N -1 3 392.843 3.978 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(OCC(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000848140177 1056748557 /nfs/dbraw/zinc/74/85/57/1056748557.db2.gz MLCYYTYGJGVMIK-UHFFFAOYSA-N -1 3 398.887 3.837 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)ccc1OC ZINC001322961854 1056897712 /nfs/dbraw/zinc/89/77/12/1056897712.db2.gz MCUYPEIKFXEQTO-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cccc(C)c2F)c(Br)cc1F ZINC001200810571 1056975375 /nfs/dbraw/zinc/97/53/75/1056975375.db2.gz INXVFLYGCGMNSU-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)C1 ZINC001355708267 1057255977 /nfs/dbraw/zinc/25/59/77/1057255977.db2.gz WJOWAAGOUYCYPW-SJCJKPOMSA-N -1 3 394.454 3.582 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC001325360186 1057318479 /nfs/dbraw/zinc/31/84/79/1057318479.db2.gz VVAKLNGHRCNMPV-UHFFFAOYSA-N -1 3 399.419 3.568 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC001325360186 1057318482 /nfs/dbraw/zinc/31/84/82/1057318482.db2.gz VVAKLNGHRCNMPV-UHFFFAOYSA-N -1 3 399.419 3.568 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3ccc(N(C)C)cc3)cc2)cc(=O)[n-]1 ZINC001325453535 1057329934 /nfs/dbraw/zinc/32/99/34/1057329934.db2.gz QGMHZTMRKZVRFV-UHFFFAOYSA-N -1 3 391.475 3.588 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1nccs1 ZINC001326504691 1057499370 /nfs/dbraw/zinc/49/93/70/1057499370.db2.gz SBHXLJVQZFZXFQ-GFCCVEGCSA-N -1 3 399.847 3.814 20 0 GHADHM CCOC(=O)c1oc([N-]C(=O)c2scnc2C(F)F)nc1C(F)(F)F ZINC001439481999 1058191520 /nfs/dbraw/zinc/19/15/20/1058191520.db2.gz KADCWDHTOZNYRI-UHFFFAOYSA-N -1 3 385.270 3.517 20 0 GHADHM Cn1ccc(-c2cc(C(=O)[N-]c3ccc(Br)c(Cl)c3F)no2)n1 ZINC001440183215 1058455994 /nfs/dbraw/zinc/45/59/94/1058455994.db2.gz SMQAGJGYBUISPC-UHFFFAOYSA-N -1 3 399.607 3.882 20 0 GHADHM O=C(Nc1ccc(Br)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001440563617 1058537753 /nfs/dbraw/zinc/53/77/53/1058537753.db2.gz DFASZMFXEHSIDI-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001339146241 1058981273 /nfs/dbraw/zinc/98/12/73/1058981273.db2.gz ABMMNETYKOEFSH-CQSZACIVSA-N -1 3 391.262 3.626 20 0 GHADHM COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(C)cc3[O-])s2)c1 ZINC001442926738 1059029738 /nfs/dbraw/zinc/02/97/38/1059029738.db2.gz VMHUBNCCKYNIEY-UHFFFAOYSA-N -1 3 382.441 3.787 20 0 GHADHM CCCN(C(=O)c1cccc(CC)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443624844 1059161954 /nfs/dbraw/zinc/16/19/54/1059161954.db2.gz OECMYZBCSPUPBS-INIZCTEOSA-N -1 3 376.497 3.816 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(N2CCOC2=O)ccc1F ZINC001339449898 1059221831 /nfs/dbraw/zinc/22/18/31/1059221831.db2.gz XZCXUEKYXIVNGY-UHFFFAOYSA-N -1 3 395.184 3.503 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC001443992059 1059247909 /nfs/dbraw/zinc/24/79/09/1059247909.db2.gz WOFCDGWMWFKLBP-UHFFFAOYSA-N -1 3 380.510 3.586 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001444249997 1059289047 /nfs/dbraw/zinc/28/90/47/1059289047.db2.gz UBHDWUSPTJZDES-AAEUAGOBSA-N -1 3 386.373 3.964 20 0 GHADHM O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001445526843 1059554488 /nfs/dbraw/zinc/55/44/88/1059554488.db2.gz MVEKHBNYSBJWEM-LEWJYISDSA-N -1 3 396.487 3.558 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H](O)c1ccccc1F ZINC001445810896 1059628620 /nfs/dbraw/zinc/62/86/20/1059628620.db2.gz PJVAMQWNNWPXKP-CVEARBPZSA-N -1 3 382.229 3.536 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1ncccc1[O-] ZINC001447602443 1059986421 /nfs/dbraw/zinc/98/64/21/1059986421.db2.gz HWQZZBMNHTTZFP-LZWOXQAQSA-N -1 3 375.469 3.542 20 0 GHADHM CCOc1ccc2c(c1)[C@H](NC(=O)c1c[n-]c3c(Cl)cccc3c1=O)CCO2 ZINC001448034224 1060090320 /nfs/dbraw/zinc/09/03/20/1060090320.db2.gz YZYKXWABWDTGLS-QGZVFWFLSA-N -1 3 398.846 3.834 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)Cc1cscn1 ZINC001340748398 1060092332 /nfs/dbraw/zinc/09/23/32/1060092332.db2.gz KAGLHISMWYAMIK-UHFFFAOYSA-N -1 3 377.901 3.535 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2cc(C)ccc2C)CC1 ZINC001340759709 1060100549 /nfs/dbraw/zinc/10/05/49/1060100549.db2.gz BXYGRIZREFTRJV-UHFFFAOYSA-N -1 3 392.507 3.770 20 0 GHADHM COC(=O)c1ccccc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001448188254 1060130911 /nfs/dbraw/zinc/13/09/11/1060130911.db2.gz HFACJINXDJSLCL-UHFFFAOYSA-N -1 3 375.424 3.700 20 0 GHADHM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001448736064 1060257389 /nfs/dbraw/zinc/25/73/89/1060257389.db2.gz PYKZQBSYWSGGJO-FQEVSTJZSA-N -1 3 390.867 3.520 20 0 GHADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC001450264502 1060566680 /nfs/dbraw/zinc/56/66/80/1060566680.db2.gz NKVXZQYLEUYKHZ-UHFFFAOYSA-N -1 3 383.857 3.779 20 0 GHADHM O=C([N-]C[C@@H](O)Cc1cccc(F)c1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001450321944 1060575464 /nfs/dbraw/zinc/57/54/64/1060575464.db2.gz ZKRZQTCLPOCTMB-ZDUSSCGKSA-N -1 3 392.204 3.944 20 0 GHADHM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450386356 1060583534 /nfs/dbraw/zinc/58/35/34/1060583534.db2.gz NQFYGCVDQXXNCM-CYBMUJFWSA-N -1 3 399.853 3.577 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC001451395468 1060770292 /nfs/dbraw/zinc/77/02/92/1060770292.db2.gz BYOHXIYJVVJYFC-UHFFFAOYSA-N -1 3 386.246 3.675 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H](C2CCC2)C1 ZINC001451452720 1060777719 /nfs/dbraw/zinc/77/77/19/1060777719.db2.gz MCTPGSQKSCXMBJ-LBPRGKRZSA-N -1 3 375.266 3.553 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 ZINC001451456181 1060779898 /nfs/dbraw/zinc/77/98/98/1060779898.db2.gz GZSYDLGWYYUDEP-OAHLLOKOSA-N -1 3 380.510 3.632 20 0 GHADHM CCc1ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001451594243 1060801484 /nfs/dbraw/zinc/80/14/84/1060801484.db2.gz AMMQBCQDXNRHNZ-CQSZACIVSA-N -1 3 390.402 3.530 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001346372757 1061535180 /nfs/dbraw/zinc/53/51/80/1061535180.db2.gz AQENOTLFLLQJKP-UHFFFAOYSA-N -1 3 395.204 3.571 20 0 GHADHM COc1ccc(C=C(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c2cccs2)cc1 ZINC001454289734 1061700598 /nfs/dbraw/zinc/70/05/98/1061700598.db2.gz ZRVZPMWEGUKFMK-MHWRWJLKSA-N -1 3 393.468 3.644 20 0 GHADHM O=C(NCc1c(Cl)cccc1OC(F)F)c1nnc2ccccc2c1[O-] ZINC001454785115 1061938837 /nfs/dbraw/zinc/93/88/37/1061938837.db2.gz HGRNSNUKANBHAX-UHFFFAOYSA-N -1 3 379.750 3.520 20 0 GHADHM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc2sccc2c([O-])c1 ZINC001545757583 1061984574 /nfs/dbraw/zinc/98/45/74/1061984574.db2.gz CMOVMSVJJFMROJ-UHFFFAOYSA-N -1 3 393.367 3.867 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1cccc([O-])c1F ZINC001347091121 1062103748 /nfs/dbraw/zinc/10/37/48/1062103748.db2.gz OYCJQJPEFOSZIM-INIZCTEOSA-N -1 3 376.384 3.597 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001455671963 1062255190 /nfs/dbraw/zinc/25/51/90/1062255190.db2.gz HCLFPAZKVREOCF-UHFFFAOYSA-N -1 3 396.834 3.830 20 0 GHADHM CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)CC1 ZINC001455751972 1062282024 /nfs/dbraw/zinc/28/20/24/1062282024.db2.gz HRNBHZAGAHLSHZ-DAWZGUTISA-N -1 3 388.556 3.818 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)[n-]n1 ZINC001456329215 1062617447 /nfs/dbraw/zinc/61/74/47/1062617447.db2.gz HASHYEFJBMJAIN-UHFFFAOYSA-N -1 3 382.247 3.952 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)n[n-]1 ZINC001456329215 1062617461 /nfs/dbraw/zinc/61/74/61/1062617461.db2.gz HASHYEFJBMJAIN-UHFFFAOYSA-N -1 3 382.247 3.952 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCc2ccc(Br)cc2)[n-]n1 ZINC001456331022 1062617650 /nfs/dbraw/zinc/61/76/50/1062617650.db2.gz JCSGCVIZCQIVII-UHFFFAOYSA-N -1 3 394.269 3.699 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCc2ccc(Br)cc2)n[n-]1 ZINC001456331022 1062617666 /nfs/dbraw/zinc/61/76/66/1062617666.db2.gz JCSGCVIZCQIVII-UHFFFAOYSA-N -1 3 394.269 3.699 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC2CCCCC2)ccc1F ZINC001456342092 1062626553 /nfs/dbraw/zinc/62/65/53/1062626553.db2.gz VRHOQDXOOOLITH-OAHLLOKOSA-N -1 3 398.544 3.991 20 0 GHADHM Cc1c(Br)csc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456947011 1062927505 /nfs/dbraw/zinc/92/75/05/1062927505.db2.gz IXBHQJNOUCJMRG-XYPYZODXSA-N -1 3 396.310 3.771 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(N4CCCCC4=O)c3)c[n-]c12 ZINC001457496021 1063210550 /nfs/dbraw/zinc/21/05/50/1063210550.db2.gz HYASFBBYKGOGJU-UHFFFAOYSA-N -1 3 375.428 3.606 20 0 GHADHM O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(F)cc(Cl)c1[O-] ZINC001457649113 1063294866 /nfs/dbraw/zinc/29/48/66/1063294866.db2.gz WJNZLGCVZBHOCW-UHFFFAOYSA-N -1 3 386.920 3.666 20 0 GHADHM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1occc1Br ZINC001436407196 1063436310 /nfs/dbraw/zinc/43/63/10/1063436310.db2.gz ZKIYDTBMOOQRES-UHFFFAOYSA-N -1 3 376.565 3.874 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3cc4c(cc3[O-])OCO4)ccc2s1 ZINC001545899039 1063484186 /nfs/dbraw/zinc/48/41/86/1063484186.db2.gz HXRQTRLXCNKBMY-UHFFFAOYSA-N -1 3 385.397 3.765 20 0 GHADHM CC[C@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC ZINC001437095111 1063760351 /nfs/dbraw/zinc/76/03/51/1063760351.db2.gz KNABVTRDNDAOKQ-GXFFZTMASA-N -1 3 377.815 3.534 20 0 GHADHM [O-]c1cc(F)c(CCNc2nc(-c3ccncc3)nc3ccccc32)c(F)c1 ZINC001458637932 1063910650 /nfs/dbraw/zinc/91/06/50/1063910650.db2.gz BTHLKLSYWGMHQO-UHFFFAOYSA-N -1 3 378.382 3.752 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001437753072 1063926844 /nfs/dbraw/zinc/92/68/44/1063926844.db2.gz XIWYUGDWRGRKQV-ZIAGYGMSSA-N -1 3 384.517 3.553 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)c2cccc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC001349872604 1063931117 /nfs/dbraw/zinc/93/11/17/1063931117.db2.gz CGLBYFFWLVDLAT-XMMPIXPASA-N -1 3 388.467 3.689 20 0 GHADHM O=C([N-]c1ccnc(F)c1F)c1nn(-c2ccccc2F)cc1Br ZINC001437856242 1063942400 /nfs/dbraw/zinc/94/24/00/1063942400.db2.gz XSCNTUFLXLBKMS-UHFFFAOYSA-N -1 3 397.154 3.699 20 0 GHADHM [O-]c1ccccc1-c1nnc(CSc2nnc(Cc3cccc(F)c3)o2)o1 ZINC001458938762 1063964742 /nfs/dbraw/zinc/96/47/42/1063964742.db2.gz GDRMXHLQGKXGDX-UHFFFAOYSA-N -1 3 384.392 3.847 20 0 GHADHM CC1(C)CC[C@H](CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)OC1 ZINC001459179479 1064015429 /nfs/dbraw/zinc/01/54/29/1064015429.db2.gz LXBKBOGWYDVDTD-OAHLLOKOSA-N -1 3 384.505 3.878 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC001438493577 1064058643 /nfs/dbraw/zinc/05/86/43/1064058643.db2.gz SZGVOTCQCABPFQ-SJORKVTESA-N -1 3 383.341 3.712 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)cc1 ZINC001438527049 1064063876 /nfs/dbraw/zinc/06/38/76/1064063876.db2.gz HJCKSAHEXVDOAT-GFCCVEGCSA-N -1 3 395.550 3.986 20 0 GHADHM Cc1c(C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)oc2c1c(C)ccc2C ZINC001350439105 1064086293 /nfs/dbraw/zinc/08/62/93/1064086293.db2.gz APODWELCVJCIMV-INIZCTEOSA-N -1 3 394.475 3.561 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C[C@@H]3C[C@@H](C)c4c3cccc4C)CC2)n1 ZINC001350691547 1064165601 /nfs/dbraw/zinc/16/56/01/1064165601.db2.gz OSXULSKUDDJRHQ-WBVHZDCISA-N -1 3 394.519 3.565 20 0 GHADHM CC(=O)c1ccc(CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001463357303 1064279286 /nfs/dbraw/zinc/27/92/86/1064279286.db2.gz JTGNIAXJSBHXHN-UHFFFAOYSA-N -1 3 386.498 3.534 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1csnc1-c1ccccc1 ZINC001463377933 1064297535 /nfs/dbraw/zinc/29/75/35/1064297535.db2.gz ROEIEOZENCILFS-UHFFFAOYSA-N -1 3 377.516 3.623 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CCC1CCCC1)c1ccc2ccccc2c1 ZINC001463396974 1064311054 /nfs/dbraw/zinc/31/10/54/1064311054.db2.gz SULCRQWKPVWIPC-LJQANCHMSA-N -1 3 375.490 3.554 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3F)C2)sc1Cl ZINC001463441612 1064352053 /nfs/dbraw/zinc/35/20/53/1064352053.db2.gz BMHHXVABPXYWMF-LBPRGKRZSA-N -1 3 388.917 3.796 20 0 GHADHM CSCCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001463498121 1064407166 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GHADHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001463739388 1064580047 /nfs/dbraw/zinc/58/00/47/1064580047.db2.gz QYNUVORJLDHTEM-GOEBONIOSA-N -1 3 380.535 3.540 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001463823069 1064650122 /nfs/dbraw/zinc/65/01/22/1064650122.db2.gz XGQSJKYGQVDGPV-BUXKBTBVSA-N -1 3 393.892 3.929 20 0 GHADHM O=C([N-]CC1CCN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CC1)C(F)(F)F ZINC000847099149 1064702604 /nfs/dbraw/zinc/70/26/04/1064702604.db2.gz ORODLVSGJUIATG-MSOLQXFVSA-N -1 3 396.453 3.563 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001463897429 1064703074 /nfs/dbraw/zinc/70/30/74/1064703074.db2.gz BCPIMTNDYLYXMG-SWLSCSKDSA-N -1 3 399.921 3.803 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCC2)O1)c1ccc(F)cc1C(F)(F)F ZINC001463983871 1064753643 /nfs/dbraw/zinc/75/36/43/1064753643.db2.gz JVSDQMVGFZZAEJ-LBPRGKRZSA-N -1 3 381.391 3.615 20 0 GHADHM Cc1ccccc1C1([N-]S(=O)(=O)c2ccc(Br)nc2F)CCC1 ZINC001464001807 1064763355 /nfs/dbraw/zinc/76/33/55/1064763355.db2.gz YOGDVKWIKAPJLF-UHFFFAOYSA-N -1 3 399.285 3.649 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)/C=C/c2ccccc2Cl)CCCC(C)(C)C1 ZINC001464102770 1064825278 /nfs/dbraw/zinc/82/52/78/1064825278.db2.gz ANSRKMFMSOOJND-ZPHJMFTNSA-N -1 3 385.913 3.742 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCCC1 ZINC001464144702 1064856960 /nfs/dbraw/zinc/85/69/60/1064856960.db2.gz IOFWXSYJGYUZKE-ZDUSSCGKSA-N -1 3 396.734 3.586 20 0 GHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC001464202987 1064905737 /nfs/dbraw/zinc/90/57/37/1064905737.db2.gz OXQMLOTZCPQKJT-GFCCVEGCSA-N -1 3 394.320 3.641 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001464278866 1064939372 /nfs/dbraw/zinc/93/93/72/1064939372.db2.gz YNFCATNEBQOLJB-KBXCAEBGSA-N -1 3 396.915 3.668 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC001464360447 1064970410 /nfs/dbraw/zinc/97/04/10/1064970410.db2.gz OQNRKRCFYLPAGN-GXFFZTMASA-N -1 3 385.835 3.842 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC2(CCC2)O1)c1ccc(F)cc1C(F)(F)F ZINC001464692679 1065159861 /nfs/dbraw/zinc/15/98/61/1065159861.db2.gz GAMMABWCYSQSPA-GFCCVEGCSA-N -1 3 381.391 3.615 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)[C@@H]1CCCOC1)c1cc(Cl)ccc1C(F)(F)F ZINC001464723288 1065176426 /nfs/dbraw/zinc/17/64/26/1065176426.db2.gz OWXMMLXVMWALBF-ABAIWWIYSA-N -1 3 397.846 3.842 20 0 GHADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1c([O-])cccc1OC ZINC001464727368 1065178973 /nfs/dbraw/zinc/17/89/73/1065178973.db2.gz ZVQFMUYIVQFHIS-UHFFFAOYSA-N -1 3 382.229 3.965 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1cccc2ccccc21 ZINC001464758064 1065194458 /nfs/dbraw/zinc/19/44/58/1065194458.db2.gz PZFDPKTVINQZTE-SGANQWHYSA-N -1 3 388.514 3.892 20 0 GHADHM O=C(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])Nc1ccc(F)c(F)c1 ZINC001464885501 1065259507 /nfs/dbraw/zinc/25/95/07/1065259507.db2.gz NGKWCXJQZNWUKT-UHFFFAOYSA-N -1 3 398.365 3.831 20 0 GHADHM CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC001464935822 1065279588 /nfs/dbraw/zinc/27/95/88/1065279588.db2.gz UKPJBRJBYKGVMD-UHFFFAOYSA-N -1 3 392.411 3.897 20 0 GHADHM CC(=O)Nc1c(C)ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1C ZINC001464955782 1065290102 /nfs/dbraw/zinc/29/01/02/1065290102.db2.gz XXEZOTNKJMNEFK-UHFFFAOYSA-N -1 3 385.370 3.634 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCCc1ccc(Br)cc1F ZINC001465073167 1065373140 /nfs/dbraw/zinc/37/31/40/1065373140.db2.gz XYNZQZANXPPHEA-UHFFFAOYSA-N -1 3 382.229 3.665 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000847535469 1065551922 /nfs/dbraw/zinc/55/19/22/1065551922.db2.gz HTSKGEDBILYHOD-GFCCVEGCSA-N -1 3 398.463 3.898 20 0 GHADHM C/C(=C\c1ccco1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000847571128 1065638436 /nfs/dbraw/zinc/63/84/36/1065638436.db2.gz ZYANNVVYPKWUBS-ACCUITESSA-N -1 3 388.851 3.919 20 0 GHADHM CC[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)Oc1ccccc1F ZINC001465662356 1065777900 /nfs/dbraw/zinc/77/79/00/1065777900.db2.gz JWQBMQYMZBDCHZ-LBPRGKRZSA-N -1 3 388.826 3.908 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)c([O-])c1 ZINC001300263074 1065873684 /nfs/dbraw/zinc/87/36/84/1065873684.db2.gz QHNNYCXKCYKXLV-QFIPXVFZSA-N -1 3 390.483 3.740 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001466076535 1065975258 /nfs/dbraw/zinc/97/52/58/1065975258.db2.gz BUNSCKRHMIHPOE-SECBINFHSA-N -1 3 380.330 3.670 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(c3ccc(C)c(C)c3)CCOCC2)c([O-])c1 ZINC001466541971 1066185423 /nfs/dbraw/zinc/18/54/23/1066185423.db2.gz KKEBKEZGFKTZBN-UHFFFAOYSA-N -1 3 397.471 3.873 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001466631610 1066223892 /nfs/dbraw/zinc/22/38/92/1066223892.db2.gz QGKNHTGRDOLBFT-OAHLLOKOSA-N -1 3 391.855 3.515 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001357398552 1067082651 /nfs/dbraw/zinc/08/26/51/1067082651.db2.gz GGBUYPRSHUEVKB-UHFFFAOYSA-N -1 3 390.350 3.519 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(c3cncc4ccccc43)CC2)c1 ZINC001467253639 1067181300 /nfs/dbraw/zinc/18/13/00/1067181300.db2.gz RMHWHRRXVWQLEI-UHFFFAOYSA-N -1 3 379.485 3.625 20 0 GHADHM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001467536118 1067347974 /nfs/dbraw/zinc/34/79/74/1067347974.db2.gz WSBAADDMZJVKQG-UHFFFAOYSA-N -1 3 384.249 3.587 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001467785210 1067468071 /nfs/dbraw/zinc/46/80/71/1067468071.db2.gz CDXKMGFZRSFYLP-XHDPSFHLSA-N -1 3 382.204 3.648 20 0 GHADHM CCOC(=O)C(=Cc1c(C2CC2)cnn1C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000849243435 1067776857 /nfs/dbraw/zinc/77/68/57/1067776857.db2.gz TWXGZHRVICIFDW-MDWZMJQESA-N -1 3 398.488 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](Cc2cccnc2)C2CCCC2)[n-]n1 ZINC001469326751 1068104438 /nfs/dbraw/zinc/10/44/38/1068104438.db2.gz NCOIYHGJVMJWIW-MRXNPFEDSA-N -1 3 384.480 3.748 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](Cc2cccnc2)C2CCCC2)n[n-]1 ZINC001469326751 1068104442 /nfs/dbraw/zinc/10/44/42/1068104442.db2.gz NCOIYHGJVMJWIW-MRXNPFEDSA-N -1 3 384.480 3.748 20 0 GHADHM CCc1cccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1[O-] ZINC001469336959 1068111860 /nfs/dbraw/zinc/11/18/60/1068111860.db2.gz FNNFVPLRYXLEFX-KFWWJZLASA-N -1 3 376.497 3.813 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001469480601 1068184260 /nfs/dbraw/zinc/18/42/60/1068184260.db2.gz ZJUMWHDTDRGJDD-IFMALSPDSA-N -1 3 385.479 3.839 20 0 GHADHM CC(C)(CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)C1CCC1 ZINC001470197578 1068621132 /nfs/dbraw/zinc/62/11/32/1068621132.db2.gz FSGUKIGZALWSSK-OAHLLOKOSA-N -1 3 397.441 3.632 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@](C)(C(F)F)O1 ZINC001470274713 1068659466 /nfs/dbraw/zinc/65/94/66/1068659466.db2.gz HEUAKHMZXPDADG-LHSJRXKWSA-N -1 3 375.415 3.868 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001478218494 1078770256 /nfs/dbraw/zinc/77/02/56/1078770256.db2.gz JYTSEPOYOFRQQU-HNNXBMFYSA-N -1 3 379.229 3.950 20 0 GHADHM CCc1cc2c(CN(CC3CC3)[C@](C)(CC)C(=O)OC)cc(=O)oc2cc1[O-] ZINC001460287102 1068907520 /nfs/dbraw/zinc/90/75/20/1068907520.db2.gz PWEWJKKTYWVBDU-JOCHJYFZSA-N -1 3 387.476 3.615 20 0 GHADHM CC1(C)CC[C@H](NCC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@H](c2ccccc2)C1 ZINC001460668370 1069072962 /nfs/dbraw/zinc/07/29/62/1069072962.db2.gz DAPSOFNDEPURTO-ROUUACIJSA-N -1 3 397.544 3.961 20 0 GHADHM C[C@H]1CC(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C[C@H](C)C1 ZINC001470795483 1072743302 /nfs/dbraw/zinc/74/33/02/1072743302.db2.gz QJTDQEXOWNJQKH-NXEZZACHSA-N -1 3 378.274 3.640 20 0 GHADHM C[C@H]1CC(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001470795483 1072743313 /nfs/dbraw/zinc/74/33/13/1072743313.db2.gz QJTDQEXOWNJQKH-NXEZZACHSA-N -1 3 378.274 3.640 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc(C3CCCCC3)cs2)c([O-])c1 ZINC001471131923 1072935006 /nfs/dbraw/zinc/93/50/06/1072935006.db2.gz OTASSSWDGDWUES-UHFFFAOYSA-N -1 3 387.505 3.963 20 0 GHADHM CCC[C@@H](C)CCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001471610970 1073158136 /nfs/dbraw/zinc/15/81/36/1073158136.db2.gz NLKJQTJZASZBRE-CYBMUJFWSA-N -1 3 383.448 3.549 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](C(F)(F)F)CC1 ZINC001471684490 1073177891 /nfs/dbraw/zinc/17/78/91/1073177891.db2.gz GZWJTLMTNNYZSM-IBGZPJMESA-N -1 3 393.405 3.971 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cscc1Cl ZINC001471906002 1073254545 /nfs/dbraw/zinc/25/45/45/1073254545.db2.gz STLKYKAOQVZENZ-UHFFFAOYSA-N -1 3 388.880 3.517 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCO1 ZINC001472241276 1073380368 /nfs/dbraw/zinc/38/03/68/1073380368.db2.gz NLOGIDHSYYXCPP-WMZOPIPTSA-N -1 3 385.464 3.547 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCO1 ZINC001472241276 1073380379 /nfs/dbraw/zinc/38/03/79/1073380379.db2.gz NLOGIDHSYYXCPP-WMZOPIPTSA-N -1 3 385.464 3.547 20 0 GHADHM CCO[C@]12CCC[C@@]1(NC(=O)c1cc(Oc3ccccc3)ccc1[O-])CCO2 ZINC001472265370 1073389332 /nfs/dbraw/zinc/38/93/32/1073389332.db2.gz SGRXONQWHWWIEG-YADHBBJMSA-N -1 3 383.444 3.990 20 0 GHADHM O=C(NC(Cc1ccccc1F)Cc1ccccc1F)c1c([O-])cccc1O ZINC001472533379 1073536580 /nfs/dbraw/zinc/53/65/80/1073536580.db2.gz BLVCDQPYVDNKEE-UHFFFAOYSA-N -1 3 383.394 3.960 20 0 GHADHM CCCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)ccc21 ZINC001472537046 1073538289 /nfs/dbraw/zinc/53/82/89/1073538289.db2.gz SKFNODFPVBLGOB-UHFFFAOYSA-N -1 3 389.455 3.778 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC001479551962 1079228230 /nfs/dbraw/zinc/22/82/30/1079228230.db2.gz SVKHTYOXGFPWOX-CWRNSKLLSA-N -1 3 391.899 3.594 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NCc1cccc([O-])c1Br)C2 ZINC001474294524 1074329209 /nfs/dbraw/zinc/32/92/09/1074329209.db2.gz PXDOULOLMIQKAY-RDBSUJKOSA-N -1 3 397.313 3.785 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)C2)c(C)c1Cl ZINC001474946546 1074645565 /nfs/dbraw/zinc/64/55/65/1074645565.db2.gz GMRWOWCUWBEIOZ-NEPJUHHUSA-N -1 3 393.958 3.990 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c(F)c1 ZINC001474979206 1074664403 /nfs/dbraw/zinc/66/44/03/1074664403.db2.gz FKSKLXWCLJMHIL-SFHVURJKSA-N -1 3 391.464 3.822 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)c1F ZINC001475111373 1074741208 /nfs/dbraw/zinc/74/12/08/1074741208.db2.gz FLBNXSQHXIEAOG-UHFFFAOYSA-N -1 3 389.464 3.636 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2c2ccccc2)s1 ZINC001475300212 1074827173 /nfs/dbraw/zinc/82/71/73/1074827173.db2.gz AYTAZZJXPAONBN-CVEARBPZSA-N -1 3 393.530 3.787 20 0 GHADHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C1CC1 ZINC001475300908 1074827335 /nfs/dbraw/zinc/82/73/35/1074827335.db2.gz ULRRGLVIZDGFFP-RNCFNFMXSA-N -1 3 396.734 3.503 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](C)NC(=O)OC(C)(C)C ZINC001475322036 1074833048 /nfs/dbraw/zinc/83/30/48/1074833048.db2.gz XNAXMJWBRSZACV-UWVGGRQHSA-N -1 3 397.324 3.573 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1cc(F)ccc1Br ZINC001475375185 1074853343 /nfs/dbraw/zinc/85/33/43/1074853343.db2.gz AVLZZMGTKMGMOK-SMDDNHRTSA-N -1 3 388.233 3.562 20 0 GHADHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC001475455839 1074881177 /nfs/dbraw/zinc/88/11/77/1074881177.db2.gz HJSVQSFTTSBMTR-UHFFFAOYSA-N -1 3 394.320 3.926 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@](C)(Cc2ccccc2)C(C)C)c1 ZINC001475577507 1074918807 /nfs/dbraw/zinc/91/88/07/1074918807.db2.gz FDSFMLSBAVVKCN-HXUWFJFHSA-N -1 3 393.480 3.548 20 0 GHADHM CCOC(=O)[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(C)C ZINC001475713383 1075005851 /nfs/dbraw/zinc/00/58/51/1075005851.db2.gz PKLFGHDUYXUNGX-MRXNPFEDSA-N -1 3 396.336 3.887 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001475730103 1075010290 /nfs/dbraw/zinc/01/02/90/1075010290.db2.gz XWAIFSZNBIIKIP-IQGVVSCOSA-N -1 3 387.501 3.968 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC12CCCC2)c1ccc(Cl)cc1C(F)(F)F ZINC001475766157 1075017158 /nfs/dbraw/zinc/01/71/58/1075017158.db2.gz NWEMGESJAXEPMT-CYBMUJFWSA-N -1 3 383.819 3.739 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c([O-])c1 ZINC000006453766 206218579 /nfs/dbraw/zinc/21/85/79/206218579.db2.gz JRUBGAKVECYVER-UHFFFAOYSA-N -1 3 396.468 3.778 20 0 GHADHM CCSc1nnc([N-]C(=O)c2ccc(CSc3nccn3C)o2)s1 ZINC000491557994 564792403 /nfs/dbraw/zinc/79/24/03/564792403.db2.gz QJWFDCFKSFWLBV-UHFFFAOYSA-N -1 3 381.508 3.521 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc3ccccc3c2)n1 ZINC000736603879 598824696 /nfs/dbraw/zinc/82/46/96/598824696.db2.gz TXFCBKQMFCXQOC-UHFFFAOYSA-N -1 3 391.456 3.884 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc3ccccc3c2)n1 ZINC000736603879 598824697 /nfs/dbraw/zinc/82/46/97/598824697.db2.gz TXFCBKQMFCXQOC-UHFFFAOYSA-N -1 3 391.456 3.884 20 0 GHADHM CS[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1ccccc1 ZINC000737170727 598831053 /nfs/dbraw/zinc/83/10/53/598831053.db2.gz LBHRNEWMXDOKPH-IBGZPJMESA-N -1 3 395.532 3.956 20 0 GHADHM CS[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1ccccc1 ZINC000737170727 598831055 /nfs/dbraw/zinc/83/10/55/598831055.db2.gz LBHRNEWMXDOKPH-IBGZPJMESA-N -1 3 395.532 3.956 20 0 GHADHM CC(=CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735449255 598839354 /nfs/dbraw/zinc/83/93/54/598839354.db2.gz NUXCVKXUWHCLAG-YPKPFQOOSA-N -1 3 399.458 3.711 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000737854794 598839457 /nfs/dbraw/zinc/83/94/57/598839457.db2.gz XCRHHWRFCKWQRF-UHFFFAOYSA-N -1 3 391.475 3.897 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000737854794 598839458 /nfs/dbraw/zinc/83/94/58/598839458.db2.gz XCRHHWRFCKWQRF-UHFFFAOYSA-N -1 3 391.475 3.897 20 0 GHADHM Cn1cc(Cl)cc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737612386 598847059 /nfs/dbraw/zinc/84/70/59/598847059.db2.gz YQNONBOCFUEGPF-UHFFFAOYSA-N -1 3 398.879 3.517 20 0 GHADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)cc(-c2nc(-c3ccncc3)no2)c1 ZINC000738420279 598860368 /nfs/dbraw/zinc/86/03/68/598860368.db2.gz BRQZUZNOOPGITI-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(-c3nc(-c4ccncc4)no3)c2)c1 ZINC000738419057 598860543 /nfs/dbraw/zinc/86/05/43/598860543.db2.gz MREDFARVKCOYBO-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(-c3nc(-c4ccncc4)no3)c2)c1 ZINC000738419057 598860544 /nfs/dbraw/zinc/86/05/44/598860544.db2.gz MREDFARVKCOYBO-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)Oc1ccccc1 ZINC000736026155 598869082 /nfs/dbraw/zinc/86/90/82/598869082.db2.gz LLUVSJDYLJEIDW-NSHDSACASA-N -1 3 382.374 3.573 20 0 GHADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)Oc1ccccc1 ZINC000736026155 598869084 /nfs/dbraw/zinc/86/90/84/598869084.db2.gz LLUVSJDYLJEIDW-NSHDSACASA-N -1 3 382.374 3.573 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OCCC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898140 598883478 /nfs/dbraw/zinc/88/34/78/598883478.db2.gz PNTFMYMSWASKRW-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OCCC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898140 598883479 /nfs/dbraw/zinc/88/34/79/598883479.db2.gz PNTFMYMSWASKRW-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM CCCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736451424 598901843 /nfs/dbraw/zinc/90/18/43/598901843.db2.gz MUZVINRAYCQQFI-AWEZNQCLSA-N -1 3 396.520 3.716 20 0 GHADHM CCCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736451424 598901845 /nfs/dbraw/zinc/90/18/45/598901845.db2.gz MUZVINRAYCQQFI-AWEZNQCLSA-N -1 3 396.520 3.716 20 0 GHADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738089974 598903777 /nfs/dbraw/zinc/90/37/77/598903777.db2.gz YCRVLKBNKKRGHK-UHFFFAOYSA-N -1 3 382.811 3.631 20 0 GHADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738089974 598903778 /nfs/dbraw/zinc/90/37/78/598903778.db2.gz YCRVLKBNKKRGHK-UHFFFAOYSA-N -1 3 382.811 3.631 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737023150 598911704 /nfs/dbraw/zinc/91/17/04/598911704.db2.gz CGONNXKZRYWBCS-SJORKVTESA-N -1 3 378.432 3.708 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737023150 598911706 /nfs/dbraw/zinc/91/17/06/598911706.db2.gz CGONNXKZRYWBCS-SJORKVTESA-N -1 3 378.432 3.708 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737831824 598913636 /nfs/dbraw/zinc/91/36/36/598913636.db2.gz FFYGUKHNXAUJOJ-JOCHJYFZSA-N -1 3 395.507 3.765 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000737831824 598913638 /nfs/dbraw/zinc/91/36/38/598913638.db2.gz FFYGUKHNXAUJOJ-JOCHJYFZSA-N -1 3 395.507 3.765 20 0 GHADHM COc1ccc(C2(CNc3ncccc3-c3nnn[n-]3)CCCCC2)cc1OC ZINC000737078552 598914434 /nfs/dbraw/zinc/91/44/34/598914434.db2.gz ZXWFVKONPSKMGM-UHFFFAOYSA-N -1 3 394.479 3.593 20 0 GHADHM COc1ccc(C2(CNc3ncccc3-c3nn[n-]n3)CCCCC2)cc1OC ZINC000737078552 598914435 /nfs/dbraw/zinc/91/44/35/598914435.db2.gz ZXWFVKONPSKMGM-UHFFFAOYSA-N -1 3 394.479 3.593 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736322643 598927826 /nfs/dbraw/zinc/92/78/26/598927826.db2.gz MXUCWKHKIBBDPX-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736322643 598927827 /nfs/dbraw/zinc/92/78/27/598927827.db2.gz MXUCWKHKIBBDPX-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc2ccccc2n1C(F)F ZINC000736137041 598935550 /nfs/dbraw/zinc/93/55/50/598935550.db2.gz JXXQFNBHDVFGSD-MRVPVSSYSA-N -1 3 390.785 3.833 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2ccccc2n1C(F)F ZINC000736137041 598935552 /nfs/dbraw/zinc/93/55/52/598935552.db2.gz JXXQFNBHDVFGSD-MRVPVSSYSA-N -1 3 390.785 3.833 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000737556953 598943222 /nfs/dbraw/zinc/94/32/22/598943222.db2.gz AGWKJYZADDRCBN-QGZVFWFLSA-N -1 3 384.871 3.811 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000737556953 598943223 /nfs/dbraw/zinc/94/32/23/598943223.db2.gz AGWKJYZADDRCBN-QGZVFWFLSA-N -1 3 384.871 3.811 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736274870 598980161 /nfs/dbraw/zinc/98/01/61/598980161.db2.gz VTJBTTOWUCEPJI-YWZLYKJASA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736274870 598980162 /nfs/dbraw/zinc/98/01/62/598980162.db2.gz VTJBTTOWUCEPJI-YWZLYKJASA-N -1 3 391.475 3.754 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819116 598988242 /nfs/dbraw/zinc/98/82/42/598988242.db2.gz SRYYUJCYQIZUFV-FQEVSTJZSA-N -1 3 391.475 3.560 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819116 598988243 /nfs/dbraw/zinc/98/82/43/598988243.db2.gz SRYYUJCYQIZUFV-FQEVSTJZSA-N -1 3 391.475 3.560 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(SC)cc1 ZINC000737031660 599009964 /nfs/dbraw/zinc/00/99/64/599009964.db2.gz CKCCALHAUGEWEK-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(SC)cc1 ZINC000737031660 599009966 /nfs/dbraw/zinc/00/99/66/599009966.db2.gz CKCCALHAUGEWEK-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736204079 599012224 /nfs/dbraw/zinc/01/22/24/599012224.db2.gz PUKSBHVWQMSJKY-MRXNPFEDSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736204079 599012226 /nfs/dbraw/zinc/01/22/26/599012226.db2.gz PUKSBHVWQMSJKY-MRXNPFEDSA-N -1 3 390.491 3.940 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391181 599018946 /nfs/dbraw/zinc/01/89/46/599018946.db2.gz XFEZFOYUVDHUQW-HNNXBMFYSA-N -1 3 381.505 3.594 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391181 599018949 /nfs/dbraw/zinc/01/89/49/599018949.db2.gz XFEZFOYUVDHUQW-HNNXBMFYSA-N -1 3 381.505 3.594 20 0 GHADHM Fc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737648604 599042920 /nfs/dbraw/zinc/04/29/20/599042920.db2.gz IDSSAUHMYHRVTA-CYBMUJFWSA-N -1 3 378.333 3.761 20 0 GHADHM Fc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737648604 599042923 /nfs/dbraw/zinc/04/29/23/599042923.db2.gz IDSSAUHMYHRVTA-CYBMUJFWSA-N -1 3 378.333 3.761 20 0 GHADHM Fc1ccc(C2(CNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737652587 599044968 /nfs/dbraw/zinc/04/49/68/599044968.db2.gz VIKXACNERHSLQY-UHFFFAOYSA-N -1 3 378.333 3.563 20 0 GHADHM Fc1ccc(C2(CNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737652587 599044970 /nfs/dbraw/zinc/04/49/70/599044970.db2.gz VIKXACNERHSLQY-UHFFFAOYSA-N -1 3 378.333 3.563 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H](c2ccccc2)c2cccnc2)n1 ZINC000737634041 599055517 /nfs/dbraw/zinc/05/55/17/599055517.db2.gz XPKGZLMKAOGVBW-INIZCTEOSA-N -1 3 397.364 3.877 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)c2cccnc2)n1 ZINC000737634041 599055520 /nfs/dbraw/zinc/05/55/20/599055520.db2.gz XPKGZLMKAOGVBW-INIZCTEOSA-N -1 3 397.364 3.877 20 0 GHADHM Cc1nc2c(s1)[C@@H](N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCC2 ZINC000737486512 599057528 /nfs/dbraw/zinc/05/75/28/599057528.db2.gz BXVLJUYIJVNEHM-NSHDSACASA-N -1 3 395.414 3.559 20 0 GHADHM Cc1nc2c(s1)[C@@H](N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCC2 ZINC000737486512 599057531 /nfs/dbraw/zinc/05/75/31/599057531.db2.gz BXVLJUYIJVNEHM-NSHDSACASA-N -1 3 395.414 3.559 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738163319 599070137 /nfs/dbraw/zinc/07/01/37/599070137.db2.gz LQAKTHBQSQRVOE-ZYHUDNBSSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738163319 599070139 /nfs/dbraw/zinc/07/01/39/599070139.db2.gz LQAKTHBQSQRVOE-ZYHUDNBSSA-N -1 3 375.766 3.541 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736244485 599070852 /nfs/dbraw/zinc/07/08/52/599070852.db2.gz IMWFAGGYOLEHTH-HIFRSBDPSA-N -1 3 378.436 3.819 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000736478947 599070904 /nfs/dbraw/zinc/07/09/04/599070904.db2.gz GSXQWCFRDQBWDO-SJORKVTESA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000736478947 599070906 /nfs/dbraw/zinc/07/09/06/599070906.db2.gz GSXQWCFRDQBWDO-SJORKVTESA-N -1 3 397.429 3.687 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccncc3)s2)c1-c1nnn[n-]1 ZINC000736676960 599072244 /nfs/dbraw/zinc/07/22/44/599072244.db2.gz XDNHFTNSLLUTGE-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccncc3)s2)c1-c1nn[n-]n1 ZINC000736676960 599072248 /nfs/dbraw/zinc/07/22/48/599072248.db2.gz XDNHFTNSLLUTGE-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736683624 599084158 /nfs/dbraw/zinc/08/41/58/599084158.db2.gz FBSQHQPVSFIDMP-SFHVURJKSA-N -1 3 379.464 3.709 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736683624 599084161 /nfs/dbraw/zinc/08/41/61/599084161.db2.gz FBSQHQPVSFIDMP-SFHVURJKSA-N -1 3 379.464 3.709 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736243969 599087178 /nfs/dbraw/zinc/08/71/78/599087178.db2.gz BMPCPWPYGBEXAU-CABCVRRESA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736243969 599087180 /nfs/dbraw/zinc/08/71/80/599087180.db2.gz BMPCPWPYGBEXAU-CABCVRRESA-N -1 3 395.463 3.689 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000822758717 607258486 /nfs/dbraw/zinc/25/84/86/607258486.db2.gz XANHLWPCIGDYQK-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000822758717 607258487 /nfs/dbraw/zinc/25/84/87/607258487.db2.gz XANHLWPCIGDYQK-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM C[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000736112827 599108371 /nfs/dbraw/zinc/10/83/71/599108371.db2.gz VFEGHYMUDMJPAP-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000736112827 599108373 /nfs/dbraw/zinc/10/83/73/599108373.db2.gz VFEGHYMUDMJPAP-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820254132 599136473 /nfs/dbraw/zinc/13/64/73/599136473.db2.gz MYVUGYQRSAATGK-HNNXBMFYSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820254132 599136476 /nfs/dbraw/zinc/13/64/76/599136476.db2.gz MYVUGYQRSAATGK-HNNXBMFYSA-N -1 3 393.466 3.766 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233560 599137278 /nfs/dbraw/zinc/13/72/78/599137278.db2.gz RIIQCAOPPRWYLI-BEVDRBHNSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233560 599137280 /nfs/dbraw/zinc/13/72/80/599137280.db2.gz RIIQCAOPPRWYLI-BEVDRBHNSA-N -1 3 391.475 3.520 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)(C)C ZINC000819763734 599140812 /nfs/dbraw/zinc/14/08/12/599140812.db2.gz BOQPWGAAVKGXPC-JLHYYAGUSA-N -1 3 378.436 3.985 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)(C)C ZINC000819763734 599140817 /nfs/dbraw/zinc/14/08/17/599140817.db2.gz BOQPWGAAVKGXPC-JLHYYAGUSA-N -1 3 378.436 3.985 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000822418948 599141190 /nfs/dbraw/zinc/14/11/90/599141190.db2.gz KBOCMFGERCJHJP-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000822418948 599141193 /nfs/dbraw/zinc/14/11/93/599141193.db2.gz KBOCMFGERCJHJP-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM COc1ccc(C=Cc2nc3cc(OC)c(OC)cc3s2)cc1-c1nnn[n-]1 ZINC000737055050 599154161 /nfs/dbraw/zinc/15/41/61/599154161.db2.gz GIUNIFXDWFETLJ-FNORWQNLSA-N -1 3 395.444 3.673 20 0 GHADHM COc1ccc(C=Cc2nc3cc(OC)c(OC)cc3s2)cc1-c1nn[n-]n1 ZINC000737055050 599154164 /nfs/dbraw/zinc/15/41/64/599154164.db2.gz GIUNIFXDWFETLJ-FNORWQNLSA-N -1 3 395.444 3.673 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820868695 599159650 /nfs/dbraw/zinc/15/96/50/599159650.db2.gz BPGANDDDZIXTGT-ZIAGYGMSSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820868695 599159653 /nfs/dbraw/zinc/15/96/53/599159653.db2.gz BPGANDDDZIXTGT-ZIAGYGMSSA-N -1 3 383.452 3.593 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823071024 599162574 /nfs/dbraw/zinc/16/25/74/599162574.db2.gz XXJDELZXDCWVJT-UHFFFAOYSA-N -1 3 393.447 3.568 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823071024 599162575 /nfs/dbraw/zinc/16/25/75/599162575.db2.gz XXJDELZXDCWVJT-UHFFFAOYSA-N -1 3 393.447 3.568 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2c(c1)-c1ccccc1C2 ZINC000823241847 599162960 /nfs/dbraw/zinc/16/29/60/599162960.db2.gz HSVQVKYPCMJKST-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2c(c1)-c1ccccc1C2 ZINC000823241847 599162963 /nfs/dbraw/zinc/16/29/63/599162963.db2.gz HSVQVKYPCMJKST-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738183376 599165780 /nfs/dbraw/zinc/16/57/80/599165780.db2.gz MTCYKTUUSJRYLF-UHFFFAOYSA-N -1 3 395.488 3.531 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738183376 599165783 /nfs/dbraw/zinc/16/57/83/599165783.db2.gz MTCYKTUUSJRYLF-UHFFFAOYSA-N -1 3 395.488 3.531 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737894847 599168196 /nfs/dbraw/zinc/16/81/96/599168196.db2.gz LAYOEFGHQBEAAL-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000736192074 599168467 /nfs/dbraw/zinc/16/84/67/599168467.db2.gz KQUJOJJKMGXJKE-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000736192074 599168468 /nfs/dbraw/zinc/16/84/68/599168468.db2.gz KQUJOJJKMGXJKE-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736685929 599172848 /nfs/dbraw/zinc/17/28/48/599172848.db2.gz MWUQXDALOVKIMU-CHWSQXEVSA-N -1 3 399.495 3.926 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736685929 599172850 /nfs/dbraw/zinc/17/28/50/599172850.db2.gz MWUQXDALOVKIMU-CHWSQXEVSA-N -1 3 399.495 3.926 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192421 599177912 /nfs/dbraw/zinc/17/79/12/599177912.db2.gz NDQRTVULSUNNDP-ROUUACIJSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192421 599177913 /nfs/dbraw/zinc/17/79/13/599177913.db2.gz NDQRTVULSUNNDP-ROUUACIJSA-N -1 3 379.439 3.549 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000736821014 599183009 /nfs/dbraw/zinc/18/30/09/599183009.db2.gz UDJAZJMYUBYTIO-UHFFFAOYSA-N -1 3 385.471 3.956 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000736821014 599183010 /nfs/dbraw/zinc/18/30/10/599183010.db2.gz UDJAZJMYUBYTIO-UHFFFAOYSA-N -1 3 385.471 3.956 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351452 599183095 /nfs/dbraw/zinc/18/30/95/599183095.db2.gz GIQWDIYEALCSJU-GOSISDBHSA-N -1 3 398.898 3.683 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351452 599183097 /nfs/dbraw/zinc/18/30/97/599183097.db2.gz GIQWDIYEALCSJU-GOSISDBHSA-N -1 3 398.898 3.683 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1Cc2ccccc21 ZINC000738175520 599186833 /nfs/dbraw/zinc/18/68/33/599186833.db2.gz ONAAZGNTYZWHHR-IBGZPJMESA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1Cc2ccccc21 ZINC000738175520 599186836 /nfs/dbraw/zinc/18/68/36/599186836.db2.gz ONAAZGNTYZWHHR-IBGZPJMESA-N -1 3 383.411 3.937 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1NC(=O)CC(C)C ZINC000737239073 599187100 /nfs/dbraw/zinc/18/71/00/599187100.db2.gz ZQDOJVFEZPHITP-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1NC(=O)CC(C)C ZINC000737239073 599187101 /nfs/dbraw/zinc/18/71/01/599187101.db2.gz ZQDOJVFEZPHITP-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000737293343 599187568 /nfs/dbraw/zinc/18/75/68/599187568.db2.gz CEAKIGUGTROHPU-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000737293343 599187571 /nfs/dbraw/zinc/18/75/71/599187571.db2.gz CEAKIGUGTROHPU-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)C1 ZINC000736275372 599199365 /nfs/dbraw/zinc/19/93/65/599199365.db2.gz CBHKWIANSHHXOE-GFCCVEGCSA-N -1 3 383.839 3.794 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)C1 ZINC000736275372 599199367 /nfs/dbraw/zinc/19/93/67/599199367.db2.gz CBHKWIANSHHXOE-GFCCVEGCSA-N -1 3 383.839 3.794 20 0 GHADHM O=C(Nc1ccccn1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738194472 599200990 /nfs/dbraw/zinc/20/09/90/599200990.db2.gz CCFITSWEDHWXJR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000820732913 599208467 /nfs/dbraw/zinc/20/84/67/599208467.db2.gz BAJBCJZHWNEXQP-HRAATJIYSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820732913 599208470 /nfs/dbraw/zinc/20/84/70/599208470.db2.gz BAJBCJZHWNEXQP-HRAATJIYSA-N -1 3 391.475 3.635 20 0 GHADHM O=C(C[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737821793 599211779 /nfs/dbraw/zinc/21/17/79/599211779.db2.gz NAKVSLBINSZFBA-SFHVURJKSA-N -1 3 397.866 3.622 20 0 GHADHM O=C(C[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737821793 599211780 /nfs/dbraw/zinc/21/17/80/599211780.db2.gz NAKVSLBINSZFBA-SFHVURJKSA-N -1 3 397.866 3.622 20 0 GHADHM CCCCC(=O)OCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736438340 599214435 /nfs/dbraw/zinc/21/44/35/599214435.db2.gz IMKWRVLSKYFZDW-UHFFFAOYSA-N -1 3 396.447 3.688 20 0 GHADHM CCCCC(=O)OCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736438340 599214438 /nfs/dbraw/zinc/21/44/38/599214438.db2.gz IMKWRVLSKYFZDW-UHFFFAOYSA-N -1 3 396.447 3.688 20 0 GHADHM CC[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000820989139 599214559 /nfs/dbraw/zinc/21/45/59/599214559.db2.gz MPDRRVZSGOYICR-SFHVURJKSA-N -1 3 394.504 3.578 20 0 GHADHM COc1cccc(NC(=O)CCS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821872350 599223743 /nfs/dbraw/zinc/22/37/43/599223743.db2.gz KXYRCEUSESVKDB-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM COc1cccc(NC(=O)CCS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821872350 599223744 /nfs/dbraw/zinc/22/37/44/599223744.db2.gz KXYRCEUSESVKDB-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000736403152 599224171 /nfs/dbraw/zinc/22/41/71/599224171.db2.gz SOXRDEKFTQVRKR-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000736403152 599224173 /nfs/dbraw/zinc/22/41/73/599224173.db2.gz SOXRDEKFTQVRKR-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820741617 599230155 /nfs/dbraw/zinc/23/01/55/599230155.db2.gz DTWVWTIKERSLIE-ZBEGNZNMSA-N -1 3 384.896 3.910 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820741617 599230157 /nfs/dbraw/zinc/23/01/57/599230157.db2.gz DTWVWTIKERSLIE-ZBEGNZNMSA-N -1 3 384.896 3.910 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736354530 599233032 /nfs/dbraw/zinc/23/30/32/599233032.db2.gz UIQJGBMWNKUGNK-FQEVSTJZSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736354530 599233035 /nfs/dbraw/zinc/23/30/35/599233035.db2.gz UIQJGBMWNKUGNK-FQEVSTJZSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351430 599233247 /nfs/dbraw/zinc/23/32/47/599233247.db2.gz GDCVHMFDTYGPDI-HXUWFJFHSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351430 599233249 /nfs/dbraw/zinc/23/32/49/599233249.db2.gz GDCVHMFDTYGPDI-HXUWFJFHSA-N -1 3 377.492 3.587 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736236587 599226538 /nfs/dbraw/zinc/22/65/38/599226538.db2.gz SEHURNZCJQPPDX-MJWYBRSISA-N -1 3 395.894 3.966 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736236587 599226541 /nfs/dbraw/zinc/22/65/41/599226541.db2.gz SEHURNZCJQPPDX-MJWYBRSISA-N -1 3 395.894 3.966 20 0 GHADHM Cc1c(NC(=O)[C@H](C)c2ccc(Br)s2)cccc1-c1nnn[n-]1 ZINC000822061790 607267750 /nfs/dbraw/zinc/26/77/50/607267750.db2.gz XYYGUWKFKOBMHR-SECBINFHSA-N -1 3 392.282 3.741 20 0 GHADHM Cc1c(NC(=O)[C@H](C)c2ccc(Br)s2)cccc1-c1nn[n-]n1 ZINC000822061790 607267751 /nfs/dbraw/zinc/26/77/51/607267751.db2.gz XYYGUWKFKOBMHR-SECBINFHSA-N -1 3 392.282 3.741 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(Cl)cc1Cl ZINC000823237988 599239779 /nfs/dbraw/zinc/23/97/79/599239779.db2.gz GRQYLEKPIHJXGG-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(Cl)cc1Cl ZINC000823237988 599239781 /nfs/dbraw/zinc/23/97/81/599239781.db2.gz GRQYLEKPIHJXGG-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM COC(=O)[C@@H](Sc1nc(C)cc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000736900188 599245490 /nfs/dbraw/zinc/24/54/90/599245490.db2.gz DAPFZGOGSGDONX-AWEZNQCLSA-N -1 3 389.868 3.538 20 0 GHADHM COC(=O)[C@@H](Sc1nc(C)cc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000736900188 599245494 /nfs/dbraw/zinc/24/54/94/599245494.db2.gz DAPFZGOGSGDONX-AWEZNQCLSA-N -1 3 389.868 3.538 20 0 GHADHM Cc1nc2ccc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000822459782 599247857 /nfs/dbraw/zinc/24/78/57/599247857.db2.gz WEDUAFHQQBAZNP-JTQLQIEISA-N -1 3 379.449 3.668 20 0 GHADHM Cc1nc2ccc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000822459782 599247858 /nfs/dbraw/zinc/24/78/58/599247858.db2.gz WEDUAFHQQBAZNP-JTQLQIEISA-N -1 3 379.449 3.668 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821717488 599247863 /nfs/dbraw/zinc/24/78/63/599247863.db2.gz OZKPGZBFAPBCDI-LLVKDONJSA-N -1 3 386.843 3.720 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821717488 599247865 /nfs/dbraw/zinc/24/78/65/599247865.db2.gz OZKPGZBFAPBCDI-LLVKDONJSA-N -1 3 386.843 3.720 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(Cl)cc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820374657 599251373 /nfs/dbraw/zinc/25/13/73/599251373.db2.gz PROXLKSJIQAHPW-LLVKDONJSA-N -1 3 393.838 3.951 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(Cl)cc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820374657 599251375 /nfs/dbraw/zinc/25/13/75/599251375.db2.gz PROXLKSJIQAHPW-LLVKDONJSA-N -1 3 393.838 3.951 20 0 GHADHM Cc1c(NC(=O)N(CCc2ccc(F)cc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822084886 607288077 /nfs/dbraw/zinc/28/80/77/607288077.db2.gz RNBOEGHAJICGDF-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N(CCc2ccc(F)cc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822084886 607288078 /nfs/dbraw/zinc/28/80/78/607288078.db2.gz RNBOEGHAJICGDF-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822089585 607289141 /nfs/dbraw/zinc/28/91/41/607289141.db2.gz FHIMRSBPCBPORF-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822089585 607289142 /nfs/dbraw/zinc/28/91/42/607289142.db2.gz FHIMRSBPCBPORF-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822089573 607289174 /nfs/dbraw/zinc/28/91/74/607289174.db2.gz FHIMRSBPCBPORF-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822089573 607289175 /nfs/dbraw/zinc/28/91/75/607289175.db2.gz FHIMRSBPCBPORF-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)cccc1-c1nnn[n-]1 ZINC000822096132 607284886 /nfs/dbraw/zinc/28/48/86/607284886.db2.gz KMLBWJWCTBPEDR-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1c(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)cccc1-c1nn[n-]n1 ZINC000822096132 607284887 /nfs/dbraw/zinc/28/48/87/607284887.db2.gz KMLBWJWCTBPEDR-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM CCCCOc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821077550 599257752 /nfs/dbraw/zinc/25/77/52/599257752.db2.gz LAKKPQDVQWSRMO-CQSZACIVSA-N -1 3 380.452 3.928 20 0 GHADHM CCCCOc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821077550 599257754 /nfs/dbraw/zinc/25/77/54/599257754.db2.gz LAKKPQDVQWSRMO-CQSZACIVSA-N -1 3 380.452 3.928 20 0 GHADHM Cc1c(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822097032 607290452 /nfs/dbraw/zinc/29/04/52/607290452.db2.gz SIIZRUHTHOALGU-NWDGAFQWSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1c(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822097032 607290453 /nfs/dbraw/zinc/29/04/53/607290453.db2.gz SIIZRUHTHOALGU-NWDGAFQWSA-N -1 3 382.390 3.665 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823078787 607294537 /nfs/dbraw/zinc/29/45/37/607294537.db2.gz SJTUBMPWYZVPLB-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823078787 607294538 /nfs/dbraw/zinc/29/45/38/607294538.db2.gz SJTUBMPWYZVPLB-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736106367 599261435 /nfs/dbraw/zinc/26/14/35/599261435.db2.gz STKXBJIUXJTAAC-NSHDSACASA-N -1 3 390.274 3.984 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736106367 599261437 /nfs/dbraw/zinc/26/14/37/599261437.db2.gz STKXBJIUXJTAAC-NSHDSACASA-N -1 3 390.274 3.984 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380240 599263877 /nfs/dbraw/zinc/26/38/77/599263877.db2.gz OAHJGUAUKHQCGB-HNNXBMFYSA-N -1 3 391.479 3.740 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380240 599263878 /nfs/dbraw/zinc/26/38/78/599263878.db2.gz OAHJGUAUKHQCGB-HNNXBMFYSA-N -1 3 391.479 3.740 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820875422 599264845 /nfs/dbraw/zinc/26/48/45/599264845.db2.gz ADZDPAGBXYCDIV-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820875422 599264846 /nfs/dbraw/zinc/26/48/46/599264846.db2.gz ADZDPAGBXYCDIV-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CCc1ccccc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821492310 607303949 /nfs/dbraw/zinc/30/39/49/607303949.db2.gz LFXCZPAHDAIVTB-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ccccc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821492310 607303950 /nfs/dbraw/zinc/30/39/50/607303950.db2.gz LFXCZPAHDAIVTB-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccccc1Cl ZINC000736489329 599278006 /nfs/dbraw/zinc/27/80/06/599278006.db2.gz XVDCULLYEJERMG-UHFFFAOYSA-N -1 3 384.871 3.913 20 0 GHADHM O=C(Nc1nc2ccsc2s1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738210222 599281964 /nfs/dbraw/zinc/28/19/64/599281964.db2.gz LWPCHDHIGOUNSH-UHFFFAOYSA-N -1 3 397.489 3.734 20 0 GHADHM O=C(Nc1nc2ccsc2s1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738210222 599281968 /nfs/dbraw/zinc/28/19/68/599281968.db2.gz LWPCHDHIGOUNSH-UHFFFAOYSA-N -1 3 397.489 3.734 20 0 GHADHM Cc1cccc(OCc2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737409099 599286093 /nfs/dbraw/zinc/28/60/93/599286093.db2.gz ATCKBRZATHKRLZ-ZDUSSCGKSA-N -1 3 394.460 3.990 20 0 GHADHM Cc1cccc(OCc2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737409099 599286094 /nfs/dbraw/zinc/28/60/94/599286094.db2.gz ATCKBRZATHKRLZ-ZDUSSCGKSA-N -1 3 394.460 3.990 20 0 GHADHM Cc1sc2nc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc(N)c2c1C ZINC000737563799 599290315 /nfs/dbraw/zinc/29/03/15/599290315.db2.gz QKXXPFRCXPJXIB-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nc(N)c2c1C ZINC000737563799 599290317 /nfs/dbraw/zinc/29/03/17/599290317.db2.gz QKXXPFRCXPJXIB-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Cc1c[nH]c(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)n1 ZINC000822394595 607324415 /nfs/dbraw/zinc/32/44/15/607324415.db2.gz DNEWWJCVTBTPFD-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735839499 598231246 /nfs/dbraw/zinc/23/12/46/598231246.db2.gz WNCTYTAIWPELHO-CQSZACIVSA-N -1 3 381.436 3.659 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735839499 598231247 /nfs/dbraw/zinc/23/12/47/598231247.db2.gz WNCTYTAIWPELHO-CQSZACIVSA-N -1 3 381.436 3.659 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738181975 598256770 /nfs/dbraw/zinc/25/67/70/598256770.db2.gz CPLVIUPXUDLPQJ-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738181975 598256772 /nfs/dbraw/zinc/25/67/72/598256772.db2.gz CPLVIUPXUDLPQJ-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737077794 598277105 /nfs/dbraw/zinc/27/71/05/598277105.db2.gz YOZQBJKEIWAMFS-ZDUSSCGKSA-N -1 3 397.483 3.623 20 0 GHADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737077794 598277107 /nfs/dbraw/zinc/27/71/07/598277107.db2.gz YOZQBJKEIWAMFS-ZDUSSCGKSA-N -1 3 397.483 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000735660213 598277774 /nfs/dbraw/zinc/27/77/74/598277774.db2.gz JQGHGKGVSPFLDV-UHFFFAOYSA-N -1 3 379.468 3.620 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000735660213 598277776 /nfs/dbraw/zinc/27/77/76/598277776.db2.gz JQGHGKGVSPFLDV-UHFFFAOYSA-N -1 3 379.468 3.620 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736653950 598283980 /nfs/dbraw/zinc/28/39/80/598283980.db2.gz NTGMVUYVHIEEBO-RDTXWAMCSA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736653950 598283981 /nfs/dbraw/zinc/28/39/81/598283981.db2.gz NTGMVUYVHIEEBO-RDTXWAMCSA-N -1 3 394.479 3.777 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736695291 598292466 /nfs/dbraw/zinc/29/24/66/598292466.db2.gz KOCZBXDRTATRSJ-INIZCTEOSA-N -1 3 398.854 3.728 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736695291 598292467 /nfs/dbraw/zinc/29/24/67/598292467.db2.gz KOCZBXDRTATRSJ-INIZCTEOSA-N -1 3 398.854 3.728 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736652788 598292510 /nfs/dbraw/zinc/29/25/10/598292510.db2.gz BNNLOPVHQZNXLB-OAHLLOKOSA-N -1 3 396.451 3.547 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736652788 598292512 /nfs/dbraw/zinc/29/25/12/598292512.db2.gz BNNLOPVHQZNXLB-OAHLLOKOSA-N -1 3 396.451 3.547 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735639119 598299823 /nfs/dbraw/zinc/29/98/23/598299823.db2.gz BBECCFXYRZCLCJ-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735639119 598299825 /nfs/dbraw/zinc/29/98/25/598299825.db2.gz BBECCFXYRZCLCJ-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(cccc2Cl)s1 ZINC000738102107 598305781 /nfs/dbraw/zinc/30/57/81/598305781.db2.gz NHJZFAPTNDBYMV-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(cccc2Cl)s1 ZINC000738102107 598305782 /nfs/dbraw/zinc/30/57/82/598305782.db2.gz NHJZFAPTNDBYMV-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736190023 598320650 /nfs/dbraw/zinc/32/06/50/598320650.db2.gz DTBQBLBSDUVLQS-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736190023 598320652 /nfs/dbraw/zinc/32/06/52/598320652.db2.gz DTBQBLBSDUVLQS-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(CCc1ccccc1)C1CC1 ZINC000738400895 598325040 /nfs/dbraw/zinc/32/50/40/598325040.db2.gz JAVHJPDCMMHZFR-UHFFFAOYSA-N -1 3 398.923 3.924 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(CCc1ccccc1)C1CC1 ZINC000738400895 598325041 /nfs/dbraw/zinc/32/50/41/598325041.db2.gz JAVHJPDCMMHZFR-UHFFFAOYSA-N -1 3 398.923 3.924 20 0 GHADHM Cc1ccccc1OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737436315 598326467 /nfs/dbraw/zinc/32/64/67/598326467.db2.gz ROPJYECVEDUESP-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM Cc1ccccc1OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737436315 598326469 /nfs/dbraw/zinc/32/64/69/598326469.db2.gz ROPJYECVEDUESP-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM O=C(c1cccc(F)c1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000738274302 598328209 /nfs/dbraw/zinc/32/82/09/598328209.db2.gz RKPWUVHZYGITMF-UHFFFAOYSA-N -1 3 381.342 3.585 20 0 GHADHM O=C(c1cccc(F)c1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000738274302 598328211 /nfs/dbraw/zinc/32/82/11/598328211.db2.gz RKPWUVHZYGITMF-UHFFFAOYSA-N -1 3 381.342 3.585 20 0 GHADHM C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736155705 598331221 /nfs/dbraw/zinc/33/12/21/598331221.db2.gz OXZKJPFEZQYYMK-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736155705 598331223 /nfs/dbraw/zinc/33/12/23/598331223.db2.gz OXZKJPFEZQYYMK-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CCN(C(=O)[C@@H]1CCCc2sccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146922 607350856 /nfs/dbraw/zinc/35/08/56/607350856.db2.gz AOPCCZCPLVVUDW-SUMWQHHRSA-N -1 3 381.505 3.958 20 0 GHADHM CCN(C(=O)[C@@H]1CCCc2sccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146922 607350858 /nfs/dbraw/zinc/35/08/58/607350858.db2.gz AOPCCZCPLVVUDW-SUMWQHHRSA-N -1 3 381.505 3.958 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000738191769 598355301 /nfs/dbraw/zinc/35/53/01/598355301.db2.gz WJLFFQYLXKAXSA-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000738191769 598355302 /nfs/dbraw/zinc/35/53/02/598355302.db2.gz WJLFFQYLXKAXSA-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM COc1ccsc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737159667 598359543 /nfs/dbraw/zinc/35/95/43/598359543.db2.gz NTZQVQKHQUFGBP-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1ccsc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737159667 598359545 /nfs/dbraw/zinc/35/95/45/598359545.db2.gz NTZQVQKHQUFGBP-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736096560 598359951 /nfs/dbraw/zinc/35/99/51/598359951.db2.gz AAOPOGBXMJWSLK-NHAQELONSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736096560 598359953 /nfs/dbraw/zinc/35/99/53/598359953.db2.gz AAOPOGBXMJWSLK-NHAQELONSA-N -1 3 375.457 3.972 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000737470726 598363344 /nfs/dbraw/zinc/36/33/44/598363344.db2.gz LCZGTKNQGAKSGM-UHFFFAOYSA-N -1 3 385.478 3.591 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1c(Cl)cccc1Cl ZINC000738385379 598373396 /nfs/dbraw/zinc/37/33/96/598373396.db2.gz ICVMTCJZEMQKJU-LLVKDONJSA-N -1 3 397.287 3.706 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)N1Cc2ccccc2C1 ZINC000738171698 598373564 /nfs/dbraw/zinc/37/35/64/598373564.db2.gz JUFQWOKVNXHSPR-UHFFFAOYSA-N -1 3 399.414 3.602 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(-c2ccccc2)cs1 ZINC000738321755 598379172 /nfs/dbraw/zinc/37/91/72/598379172.db2.gz YVEDBLZRFZDPKG-WOJGMQOQSA-N -1 3 399.435 3.940 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(-c2ccccc2)cs1 ZINC000738321755 598379174 /nfs/dbraw/zinc/37/91/74/598379174.db2.gz YVEDBLZRFZDPKG-WOJGMQOQSA-N -1 3 399.435 3.940 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(Cl)cc(Cl)c1 ZINC000738321746 598379476 /nfs/dbraw/zinc/37/94/76/598379476.db2.gz YEUXPZXWSQDADB-VGOFMYFVSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(Cl)cc(Cl)c1 ZINC000738321746 598379478 /nfs/dbraw/zinc/37/94/78/598379478.db2.gz YEUXPZXWSQDADB-VGOFMYFVSA-N -1 3 386.198 3.518 20 0 GHADHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738157823 598382281 /nfs/dbraw/zinc/38/22/81/598382281.db2.gz BOWVBTDSAVVCJY-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738157823 598382282 /nfs/dbraw/zinc/38/22/82/598382282.db2.gz BOWVBTDSAVVCJY-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(-c3nnn[n-]3)cn1C(C)(C)C)CC2 ZINC000737372253 598391681 /nfs/dbraw/zinc/39/16/81/598391681.db2.gz WHZFQPZYCKQNAA-MRXNPFEDSA-N -1 3 379.468 3.541 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(-c3nn[n-]n3)cn1C(C)(C)C)CC2 ZINC000737372253 598391683 /nfs/dbraw/zinc/39/16/83/598391683.db2.gz WHZFQPZYCKQNAA-MRXNPFEDSA-N -1 3 379.468 3.541 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)c(F)c2)cc1 ZINC000737056050 598394468 /nfs/dbraw/zinc/39/44/68/598394468.db2.gz SVIXTCOFQZKVSN-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)c(F)c2)cc1 ZINC000737056050 598394469 /nfs/dbraw/zinc/39/44/69/598394469.db2.gz SVIXTCOFQZKVSN-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000736167609 598415779 /nfs/dbraw/zinc/41/57/79/598415779.db2.gz FHGIPQSXZCSSKO-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000735838322 598421789 /nfs/dbraw/zinc/42/17/89/598421789.db2.gz OQDADQWKMVJTSR-UHFFFAOYSA-N -1 3 385.493 3.628 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000735838322 598421791 /nfs/dbraw/zinc/42/17/91/598421791.db2.gz OQDADQWKMVJTSR-UHFFFAOYSA-N -1 3 385.493 3.628 20 0 GHADHM CC[C@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000736351024 598428697 /nfs/dbraw/zinc/42/86/97/598428697.db2.gz PIAUVDKOGUMQPJ-GOSISDBHSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000736351024 598428699 /nfs/dbraw/zinc/42/86/99/598428699.db2.gz PIAUVDKOGUMQPJ-GOSISDBHSA-N -1 3 392.507 3.981 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737426152 598430203 /nfs/dbraw/zinc/43/02/03/598430203.db2.gz KFAHKNDEDBXWKX-QGZVFWFLSA-N -1 3 392.507 3.726 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737426152 598430205 /nfs/dbraw/zinc/43/02/05/598430205.db2.gz KFAHKNDEDBXWKX-QGZVFWFLSA-N -1 3 392.507 3.726 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736117758 598432947 /nfs/dbraw/zinc/43/29/47/598432947.db2.gz KYMGNOYLATYLPU-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736117758 598432949 /nfs/dbraw/zinc/43/29/49/598432949.db2.gz KYMGNOYLATYLPU-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736467077 598439297 /nfs/dbraw/zinc/43/92/97/598439297.db2.gz TVTKDOZWFGWWSJ-UHFFFAOYSA-N -1 3 390.447 3.623 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736467077 598439299 /nfs/dbraw/zinc/43/92/99/598439299.db2.gz TVTKDOZWFGWWSJ-UHFFFAOYSA-N -1 3 390.447 3.623 20 0 GHADHM CCS[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)C(C)C ZINC000736664021 598442455 /nfs/dbraw/zinc/44/24/55/598442455.db2.gz HIGIMTCRXPRGKF-QGZVFWFLSA-N -1 3 375.542 3.629 20 0 GHADHM CCS[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)C(C)C ZINC000736664021 598442457 /nfs/dbraw/zinc/44/24/57/598442457.db2.gz HIGIMTCRXPRGKF-QGZVFWFLSA-N -1 3 375.542 3.629 20 0 GHADHM CCCCCCOCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736447903 598443730 /nfs/dbraw/zinc/44/37/30/598443730.db2.gz SXMPMSGBNHWAFH-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CCCCCCOCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736447903 598443731 /nfs/dbraw/zinc/44/37/31/598443731.db2.gz SXMPMSGBNHWAFH-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737417778 598444779 /nfs/dbraw/zinc/44/47/79/598444779.db2.gz LFDSUCDZIGRAGE-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737417778 598444780 /nfs/dbraw/zinc/44/47/80/598444780.db2.gz LFDSUCDZIGRAGE-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)c(OC(F)F)c(C)c2)s1 ZINC000736679438 598447173 /nfs/dbraw/zinc/44/71/73/598447173.db2.gz UBFHDYJXYUKIBD-UHFFFAOYSA-N -1 3 393.419 3.961 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)c(OC(F)F)c(C)c2)s1 ZINC000736679438 598447175 /nfs/dbraw/zinc/44/71/75/598447175.db2.gz UBFHDYJXYUKIBD-UHFFFAOYSA-N -1 3 393.419 3.961 20 0 GHADHM CCCCCCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736446044 598448530 /nfs/dbraw/zinc/44/85/30/598448530.db2.gz HQAMYKBHODZYDL-UHFFFAOYSA-N -1 3 380.452 3.611 20 0 GHADHM CCCCCCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736446044 598448532 /nfs/dbraw/zinc/44/85/32/598448532.db2.gz HQAMYKBHODZYDL-UHFFFAOYSA-N -1 3 380.452 3.611 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC000736259424 598449604 /nfs/dbraw/zinc/44/96/04/598449604.db2.gz FDLLNLXTRDZWLS-KDOFPFPSSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC000736259424 598449606 /nfs/dbraw/zinc/44/96/06/598449606.db2.gz FDLLNLXTRDZWLS-KDOFPFPSSA-N -1 3 392.463 3.609 20 0 GHADHM FC(F)(F)c1ccc(Cn2nccc2NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737635460 598467309 /nfs/dbraw/zinc/46/73/09/598467309.db2.gz GQHWVYOWCVMMJC-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(Cn2nccc2NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737635460 598467310 /nfs/dbraw/zinc/46/73/10/598467310.db2.gz GQHWVYOWCVMMJC-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000736111154 598477893 /nfs/dbraw/zinc/47/78/93/598477893.db2.gz LCUIHUXZYOGNEB-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000736111154 598477895 /nfs/dbraw/zinc/47/78/95/598477895.db2.gz LCUIHUXZYOGNEB-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM CCn1cc(CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736723503 598483425 /nfs/dbraw/zinc/48/34/25/598483425.db2.gz XEKQBWYXRQUTCS-AWEZNQCLSA-N -1 3 375.432 3.688 20 0 GHADHM CCn1cc(CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736723503 598483426 /nfs/dbraw/zinc/48/34/26/598483426.db2.gz XEKQBWYXRQUTCS-AWEZNQCLSA-N -1 3 375.432 3.688 20 0 GHADHM COc1ccc2oc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c(C)c2c1 ZINC000737119538 598488647 /nfs/dbraw/zinc/48/86/47/598488647.db2.gz DPKFVDCJJJLWDQ-UHFFFAOYSA-N -1 3 394.435 3.739 20 0 GHADHM COc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c(C)c2c1 ZINC000737119538 598488648 /nfs/dbraw/zinc/48/86/48/598488648.db2.gz DPKFVDCJJJLWDQ-UHFFFAOYSA-N -1 3 394.435 3.739 20 0 GHADHM C[C@@H]1CCc2c(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)csc2C1 ZINC000736279700 598490084 /nfs/dbraw/zinc/49/00/84/598490084.db2.gz LPFCGCXMERSKAB-LLVKDONJSA-N -1 3 384.509 3.862 20 0 GHADHM C[C@@H]1CCc2c(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)csc2C1 ZINC000736279700 598490086 /nfs/dbraw/zinc/49/00/86/598490086.db2.gz LPFCGCXMERSKAB-LLVKDONJSA-N -1 3 384.509 3.862 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)ccc1C ZINC000737040627 598495363 /nfs/dbraw/zinc/49/53/63/598495363.db2.gz JNYOZMAZTYIHAW-JTQLQIEISA-N -1 3 383.477 3.622 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)ccc1C ZINC000737040627 598495364 /nfs/dbraw/zinc/49/53/64/598495364.db2.gz JNYOZMAZTYIHAW-JTQLQIEISA-N -1 3 383.477 3.622 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737815463 598495735 /nfs/dbraw/zinc/49/57/35/598495735.db2.gz VQXFINUTYCLVEI-UHFFFAOYSA-N -1 3 393.466 3.986 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737815463 598495737 /nfs/dbraw/zinc/49/57/37/598495737.db2.gz VQXFINUTYCLVEI-UHFFFAOYSA-N -1 3 393.466 3.986 20 0 GHADHM CC(C)CN(C(=S)NCCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827196 598496423 /nfs/dbraw/zinc/49/64/23/598496423.db2.gz IUAIJQIUAIEPBJ-UHFFFAOYSA-N -1 3 386.550 3.508 20 0 GHADHM CC(C)CN(C(=S)NCCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827196 598496424 /nfs/dbraw/zinc/49/64/24/598496424.db2.gz IUAIJQIUAIEPBJ-UHFFFAOYSA-N -1 3 386.550 3.508 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2ccc(C)c(C)c2)c1-c1nnn[n-]1 ZINC000736669289 598515024 /nfs/dbraw/zinc/51/50/24/598515024.db2.gz CHYWFAALRRQIIL-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000736669289 598515026 /nfs/dbraw/zinc/51/50/26/598515026.db2.gz CHYWFAALRRQIIL-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CC(C)(C)OC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735623956 598515864 /nfs/dbraw/zinc/51/58/64/598515864.db2.gz NYGZCKSZCGEQDM-UHFFFAOYSA-N -1 3 383.427 3.943 20 0 GHADHM CC(C)(C)OC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735623956 598515866 /nfs/dbraw/zinc/51/58/66/598515866.db2.gz NYGZCKSZCGEQDM-UHFFFAOYSA-N -1 3 383.427 3.943 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000736675309 598516002 /nfs/dbraw/zinc/51/60/02/598516002.db2.gz JZUDCVBVCOOJQL-UHFFFAOYSA-N -1 3 385.493 3.767 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000736675309 598516004 /nfs/dbraw/zinc/51/60/04/598516004.db2.gz JZUDCVBVCOOJQL-UHFFFAOYSA-N -1 3 385.493 3.767 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cn1c(=S)snc1-c1ccccc1 ZINC000736823332 598520437 /nfs/dbraw/zinc/52/04/37/598520437.db2.gz XAJWYUCRCMPDNV-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cn1c(=S)snc1-c1ccccc1 ZINC000736823332 598520438 /nfs/dbraw/zinc/52/04/38/598520438.db2.gz XAJWYUCRCMPDNV-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM Cc1csc([C@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)n1 ZINC000737454709 598521500 /nfs/dbraw/zinc/52/15/00/598521500.db2.gz DZYSVLAPLYSKHX-LBPRGKRZSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1csc([C@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)n1 ZINC000737454709 598521501 /nfs/dbraw/zinc/52/15/01/598521501.db2.gz DZYSVLAPLYSKHX-LBPRGKRZSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1c(NCCOc2ccc(-c3nn[n-]n3)cc2)cccc1OCC(F)(F)F ZINC000737217823 598522611 /nfs/dbraw/zinc/52/26/11/598522611.db2.gz DRZAGMJYRNAESE-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737058866 598533541 /nfs/dbraw/zinc/53/35/41/598533541.db2.gz PEQGZJNDLHJDEE-ZWKOTPCHSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737058866 598533543 /nfs/dbraw/zinc/53/35/43/598533543.db2.gz PEQGZJNDLHJDEE-ZWKOTPCHSA-N -1 3 385.427 3.771 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(c1ccccc1)C1CCCC1 ZINC000737944205 598535672 /nfs/dbraw/zinc/53/56/72/598535672.db2.gz XIQVOISYUMLHBS-UHFFFAOYSA-N -1 3 379.489 3.935 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1)C1CCCC1 ZINC000737944205 598535674 /nfs/dbraw/zinc/53/56/74/598535674.db2.gz XIQVOISYUMLHBS-UHFFFAOYSA-N -1 3 379.489 3.935 20 0 GHADHM CCc1cccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000736699986 598538979 /nfs/dbraw/zinc/53/89/79/598538979.db2.gz QUEFDGQDHLDWGH-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM O=C(Nc1cc(F)ccc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738143468 598539671 /nfs/dbraw/zinc/53/96/71/598539671.db2.gz DEJVSJNGKLGDHS-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM CC(C)CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000735819508 598540093 /nfs/dbraw/zinc/54/00/93/598540093.db2.gz WXLXIAPWMPJFPI-UHFFFAOYSA-N -1 3 383.452 3.545 20 0 GHADHM CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)[C@H](C)C(C)C ZINC000736509659 598540710 /nfs/dbraw/zinc/54/07/10/598540710.db2.gz ZFILWPUTHGTAQM-CQSZACIVSA-N -1 3 383.452 3.545 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3sccc3-c3nnn[n-]3)ccc2c1 ZINC000737120353 598540750 /nfs/dbraw/zinc/54/07/50/598540750.db2.gz MGTLMZQOJVGRHQ-NSHDSACASA-N -1 3 379.445 3.832 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3sccc3-c3nn[n-]n3)ccc2c1 ZINC000737120353 598540751 /nfs/dbraw/zinc/54/07/51/598540751.db2.gz MGTLMZQOJVGRHQ-NSHDSACASA-N -1 3 379.445 3.832 20 0 GHADHM CCOCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736610102 598541695 /nfs/dbraw/zinc/54/16/95/598541695.db2.gz GMBLXWNDQIYDLQ-UHFFFAOYSA-N -1 3 395.463 3.509 20 0 GHADHM CCOCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736610102 598541697 /nfs/dbraw/zinc/54/16/97/598541697.db2.gz GMBLXWNDQIYDLQ-UHFFFAOYSA-N -1 3 395.463 3.509 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735963777 598542872 /nfs/dbraw/zinc/54/28/72/598542872.db2.gz MHSVENVFBOTOHK-CYBMUJFWSA-N -1 3 380.427 3.838 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735963777 598542874 /nfs/dbraw/zinc/54/28/74/598542874.db2.gz MHSVENVFBOTOHK-CYBMUJFWSA-N -1 3 380.427 3.838 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Br)cc1F ZINC000738150746 598550642 /nfs/dbraw/zinc/55/06/42/598550642.db2.gz CKDLLYUPJOTXGA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Br)cc1F ZINC000738150746 598550643 /nfs/dbraw/zinc/55/06/43/598550643.db2.gz CKDLLYUPJOTXGA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1ncc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000737491021 598555194 /nfs/dbraw/zinc/55/51/94/598555194.db2.gz ZETAVCIOGVDVNE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000737491021 598555196 /nfs/dbraw/zinc/55/51/96/598555196.db2.gz ZETAVCIOGVDVNE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cc(C2CC2)on1 ZINC000738171626 598557256 /nfs/dbraw/zinc/55/72/56/598557256.db2.gz HYNVZQPIRWMJNJ-UHFFFAOYSA-N -1 3 388.387 3.777 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc(C2CC2)on1 ZINC000738171626 598557257 /nfs/dbraw/zinc/55/72/57/598557257.db2.gz HYNVZQPIRWMJNJ-UHFFFAOYSA-N -1 3 388.387 3.777 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c(C)n1C ZINC000737238795 598557346 /nfs/dbraw/zinc/55/73/46/598557346.db2.gz UHCYCYLNLVFUOP-UHFFFAOYSA-N -1 3 388.431 3.867 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c(C)n1C ZINC000737238795 598557347 /nfs/dbraw/zinc/55/73/47/598557347.db2.gz UHCYCYLNLVFUOP-UHFFFAOYSA-N -1 3 388.431 3.867 20 0 GHADHM CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736324056 598558864 /nfs/dbraw/zinc/55/88/64/598558864.db2.gz GNRXUIJKPDSXQE-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736324056 598558866 /nfs/dbraw/zinc/55/88/66/598558866.db2.gz GNRXUIJKPDSXQE-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736204947 598560331 /nfs/dbraw/zinc/56/03/31/598560331.db2.gz UNUGJQCUYHPECU-NSHDSACASA-N -1 3 388.378 3.693 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736204947 598560335 /nfs/dbraw/zinc/56/03/35/598560335.db2.gz UNUGJQCUYHPECU-NSHDSACASA-N -1 3 388.378 3.693 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000736678290 598568145 /nfs/dbraw/zinc/56/81/45/598568145.db2.gz BFCAFVVPZQGHFZ-GHMZBOCLSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000736678290 598568147 /nfs/dbraw/zinc/56/81/47/598568147.db2.gz BFCAFVVPZQGHFZ-GHMZBOCLSA-N -1 3 375.404 3.511 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000737091002 598571394 /nfs/dbraw/zinc/57/13/94/598571394.db2.gz ONVRNCCKMXFUNR-UHFFFAOYSA-N -1 3 381.333 3.670 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000737091002 598571395 /nfs/dbraw/zinc/57/13/95/598571395.db2.gz ONVRNCCKMXFUNR-UHFFFAOYSA-N -1 3 381.333 3.670 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)s2)c(C)c1 ZINC000737287530 598583966 /nfs/dbraw/zinc/58/39/66/598583966.db2.gz FLUMDLIXHNBOGW-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)s2)c(C)c1 ZINC000737287530 598583968 /nfs/dbraw/zinc/58/39/68/598583968.db2.gz FLUMDLIXHNBOGW-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737853219 598588146 /nfs/dbraw/zinc/58/81/46/598588146.db2.gz QSYKTJCRBVVNGW-UHFFFAOYSA-N -1 3 395.369 3.976 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737853219 598588148 /nfs/dbraw/zinc/58/81/48/598588148.db2.gz QSYKTJCRBVVNGW-UHFFFAOYSA-N -1 3 395.369 3.976 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)sc21 ZINC000737592192 598590945 /nfs/dbraw/zinc/59/09/45/598590945.db2.gz LJISKPSYCCJXFS-UHFFFAOYSA-N -1 3 392.419 3.965 20 0 GHADHM COc1ccccc1-c1nc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000737141358 598601730 /nfs/dbraw/zinc/60/17/30/598601730.db2.gz BPHMOIRBCGXELP-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM COc1ccccc1-c1nc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000737141358 598601732 /nfs/dbraw/zinc/60/17/32/598601732.db2.gz BPHMOIRBCGXELP-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM Clc1cccc(Cl)c1-c1noc(COc2ccccc2-c2nnn[n-]2)n1 ZINC000737575254 598609006 /nfs/dbraw/zinc/60/90/06/598609006.db2.gz OCANNFVZWWOKIP-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(Cl)c1-c1noc(COc2ccccc2-c2nn[n-]n2)n1 ZINC000737575254 598609008 /nfs/dbraw/zinc/60/90/08/598609008.db2.gz OCANNFVZWWOKIP-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM c1ccc(CCCc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738427399 598611850 /nfs/dbraw/zinc/61/18/50/598611850.db2.gz HPOVPMNOBOLGGB-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM c1ccc(CCCc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738427399 598611852 /nfs/dbraw/zinc/61/18/52/598611852.db2.gz HPOVPMNOBOLGGB-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)NC1CCCC1 ZINC000738174303 598618052 /nfs/dbraw/zinc/61/80/52/598618052.db2.gz WVMQOYNMZDCOOV-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)NC1CCCC1 ZINC000738174303 598618053 /nfs/dbraw/zinc/61/80/53/598618053.db2.gz WVMQOYNMZDCOOV-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737588773 598618392 /nfs/dbraw/zinc/61/83/92/598618392.db2.gz AQPHQHNCTCJKOQ-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000737588773 598618394 /nfs/dbraw/zinc/61/83/94/598618394.db2.gz AQPHQHNCTCJKOQ-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000736815141 598626764 /nfs/dbraw/zinc/62/67/64/598626764.db2.gz WBFLFWFTGPVTDE-UHFFFAOYSA-N -1 3 393.516 3.930 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000736815141 598626766 /nfs/dbraw/zinc/62/67/66/598626766.db2.gz WBFLFWFTGPVTDE-UHFFFAOYSA-N -1 3 393.516 3.930 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737209902 598629135 /nfs/dbraw/zinc/62/91/35/598629135.db2.gz WCRBZSRPXCQWAI-NSHDSACASA-N -1 3 380.383 3.943 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737209902 598629136 /nfs/dbraw/zinc/62/91/36/598629136.db2.gz WCRBZSRPXCQWAI-NSHDSACASA-N -1 3 380.383 3.943 20 0 GHADHM CC(C)[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735711294 598633448 /nfs/dbraw/zinc/63/34/48/598633448.db2.gz YAACPFLMASOOFR-CYBMUJFWSA-N -1 3 398.442 3.751 20 0 GHADHM CC(C)[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735711294 598633450 /nfs/dbraw/zinc/63/34/50/598633450.db2.gz YAACPFLMASOOFR-CYBMUJFWSA-N -1 3 398.442 3.751 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735827648 598633467 /nfs/dbraw/zinc/63/34/67/598633467.db2.gz SIDJYULSOMCLSG-UHFFFAOYSA-N -1 3 382.443 3.738 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735827648 598633468 /nfs/dbraw/zinc/63/34/68/598633468.db2.gz SIDJYULSOMCLSG-UHFFFAOYSA-N -1 3 382.443 3.738 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000736118064 598633828 /nfs/dbraw/zinc/63/38/28/598633828.db2.gz RYETVKUPCJZUFH-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000736118064 598633830 /nfs/dbraw/zinc/63/38/30/598633830.db2.gz RYETVKUPCJZUFH-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM Cc1cccc(CNC(=O)COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737393010 598640834 /nfs/dbraw/zinc/64/08/34/598640834.db2.gz DZLXYPRIWASYLO-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1cccc(CNC(=O)COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737393010 598640836 /nfs/dbraw/zinc/64/08/36/598640836.db2.gz DZLXYPRIWASYLO-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM O=C(Nc1c(F)cccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738138067 598645845 /nfs/dbraw/zinc/64/58/45/598645845.db2.gz DBJLDZCFJOXSJM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1c(F)cccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738138067 598645846 /nfs/dbraw/zinc/64/58/46/598645846.db2.gz DBJLDZCFJOXSJM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000736101269 598646192 /nfs/dbraw/zinc/64/61/92/598646192.db2.gz NDPDXDDTHIAGRW-CQSZACIVSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000736101269 598646194 /nfs/dbraw/zinc/64/61/94/598646194.db2.gz NDPDXDDTHIAGRW-CQSZACIVSA-N -1 3 399.882 3.947 20 0 GHADHM Cc1sc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(-c2nnn[n-]2)c1C ZINC000737328629 598646525 /nfs/dbraw/zinc/64/65/25/598646525.db2.gz GGVMFMVDCWKPNC-UHFFFAOYSA-N -1 3 397.504 3.540 20 0 GHADHM Cc1sc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737328629 598646526 /nfs/dbraw/zinc/64/65/26/598646526.db2.gz GGVMFMVDCWKPNC-UHFFFAOYSA-N -1 3 397.504 3.540 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccs1 ZINC000737833617 598649053 /nfs/dbraw/zinc/64/90/53/598649053.db2.gz YFHBVMZEYPWGSY-KRWDZBQOSA-N -1 3 397.504 3.841 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccs1 ZINC000737833617 598649056 /nfs/dbraw/zinc/64/90/56/598649056.db2.gz YFHBVMZEYPWGSY-KRWDZBQOSA-N -1 3 397.504 3.841 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000737833629 598649358 /nfs/dbraw/zinc/64/93/58/598649358.db2.gz YSQVTRFAKWXDIM-ZIFCJYIRSA-N -1 3 397.523 3.891 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000737833629 598649359 /nfs/dbraw/zinc/64/93/59/598649359.db2.gz YSQVTRFAKWXDIM-ZIFCJYIRSA-N -1 3 397.523 3.891 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000735829316 598651286 /nfs/dbraw/zinc/65/12/86/598651286.db2.gz HRVXRKCDTIXDKK-UHFFFAOYSA-N -1 3 395.482 3.968 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000735829316 598651287 /nfs/dbraw/zinc/65/12/87/598651287.db2.gz HRVXRKCDTIXDKK-UHFFFAOYSA-N -1 3 395.482 3.968 20 0 GHADHM C[C@H](c1ccco1)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736203997 598654230 /nfs/dbraw/zinc/65/42/30/598654230.db2.gz PYRZLWUMPYTTKX-OAHLLOKOSA-N -1 3 395.463 3.761 20 0 GHADHM C[C@H](c1ccco1)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736203997 598654232 /nfs/dbraw/zinc/65/42/32/598654232.db2.gz PYRZLWUMPYTTKX-OAHLLOKOSA-N -1 3 395.463 3.761 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736327488 598656965 /nfs/dbraw/zinc/65/69/65/598656965.db2.gz LOMLPMRWFCKBIR-CYBMUJFWSA-N -1 3 383.477 3.775 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736327488 598656967 /nfs/dbraw/zinc/65/69/67/598656967.db2.gz LOMLPMRWFCKBIR-CYBMUJFWSA-N -1 3 383.477 3.775 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1Cl ZINC000737831822 598658239 /nfs/dbraw/zinc/65/82/39/598658239.db2.gz FFXLDHIHIOKJBM-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1Cl ZINC000737831822 598658240 /nfs/dbraw/zinc/65/82/40/598658240.db2.gz FFXLDHIHIOKJBM-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735671526 598659990 /nfs/dbraw/zinc/65/99/90/598659990.db2.gz YIIBYTNZWAYXFX-QXMHVHEDSA-N -1 3 381.867 3.671 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735671526 598659991 /nfs/dbraw/zinc/65/99/91/598659991.db2.gz YIIBYTNZWAYXFX-QXMHVHEDSA-N -1 3 381.867 3.671 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(Sc2ccccc2)CCCC1 ZINC000738100524 598665362 /nfs/dbraw/zinc/66/53/62/598665362.db2.gz PFIGDZYSCMORFS-UHFFFAOYSA-N -1 3 397.479 3.727 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(Sc2ccccc2)CCCC1 ZINC000738100524 598665364 /nfs/dbraw/zinc/66/53/64/598665364.db2.gz PFIGDZYSCMORFS-UHFFFAOYSA-N -1 3 397.479 3.727 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736323196 598666476 /nfs/dbraw/zinc/66/64/76/598666476.db2.gz VNTDCSYAFYTEHB-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736323196 598666477 /nfs/dbraw/zinc/66/64/77/598666477.db2.gz VNTDCSYAFYTEHB-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000738382561 598674247 /nfs/dbraw/zinc/67/42/47/598674247.db2.gz LOCDJCWTNRAILZ-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000738382561 598674249 /nfs/dbraw/zinc/67/42/49/598674249.db2.gz LOCDJCWTNRAILZ-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821782942 607364168 /nfs/dbraw/zinc/36/41/68/607364168.db2.gz TWVUJHPYVVEEFW-IBGZPJMESA-N -1 3 377.448 3.633 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821782942 607364169 /nfs/dbraw/zinc/36/41/69/607364169.db2.gz TWVUJHPYVVEEFW-IBGZPJMESA-N -1 3 377.448 3.633 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000736193967 598696316 /nfs/dbraw/zinc/69/63/16/598696316.db2.gz VTNVZPGCCKHDMK-JTQLQIEISA-N -1 3 391.859 3.920 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1 ZINC000736193967 598696318 /nfs/dbraw/zinc/69/63/18/598696318.db2.gz VTNVZPGCCKHDMK-JTQLQIEISA-N -1 3 391.859 3.920 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736828098 598699877 /nfs/dbraw/zinc/69/98/77/598699877.db2.gz KUQKGJBFCJLHFD-UHFFFAOYSA-N -1 3 391.504 3.567 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736828098 598699878 /nfs/dbraw/zinc/69/98/78/598699878.db2.gz KUQKGJBFCJLHFD-UHFFFAOYSA-N -1 3 391.504 3.567 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737316436 598709798 /nfs/dbraw/zinc/70/97/98/598709798.db2.gz BRMJUKGZFDYVOX-CQSZACIVSA-N -1 3 398.438 3.948 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737316436 598709800 /nfs/dbraw/zinc/70/98/00/598709800.db2.gz BRMJUKGZFDYVOX-CQSZACIVSA-N -1 3 398.438 3.948 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736393446 598712091 /nfs/dbraw/zinc/71/20/91/598712091.db2.gz YUIOFBCCPRKLGQ-IBGZPJMESA-N -1 3 399.520 3.665 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736393446 598712093 /nfs/dbraw/zinc/71/20/93/598712093.db2.gz YUIOFBCCPRKLGQ-IBGZPJMESA-N -1 3 399.520 3.665 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc2cnccc21 ZINC000737833589 598719056 /nfs/dbraw/zinc/71/90/56/598719056.db2.gz WYLYAWNRVAWJQX-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc2cnccc21 ZINC000737833589 598719058 /nfs/dbraw/zinc/71/90/58/598719058.db2.gz WYLYAWNRVAWJQX-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM Cc1ccc(-c2nc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)cs2)o1 ZINC000737287658 598722572 /nfs/dbraw/zinc/72/25/72/598722572.db2.gz HIWFWUBWWNIYPK-UHFFFAOYSA-N -1 3 389.444 3.803 20 0 GHADHM Cc1ccc(-c2nc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)cs2)o1 ZINC000737287658 598722575 /nfs/dbraw/zinc/72/25/75/598722575.db2.gz HIWFWUBWWNIYPK-UHFFFAOYSA-N -1 3 389.444 3.803 20 0 GHADHM O=C(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)Nc1ccc2ccccc2c1 ZINC000737986099 598723032 /nfs/dbraw/zinc/72/30/32/598723032.db2.gz BKMCMIHCEKJXRR-UHFFFAOYSA-N -1 3 395.426 3.522 20 0 GHADHM O=C(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)Nc1ccc2ccccc2c1 ZINC000737986099 598723033 /nfs/dbraw/zinc/72/30/33/598723033.db2.gz BKMCMIHCEKJXRR-UHFFFAOYSA-N -1 3 395.426 3.522 20 0 GHADHM FC(F)(F)Oc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737625635 598723387 /nfs/dbraw/zinc/72/33/87/598723387.db2.gz CSCODFCZEMYRPP-UHFFFAOYSA-N -1 3 386.337 3.677 20 0 GHADHM FC(F)(F)Oc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737625635 598723388 /nfs/dbraw/zinc/72/33/88/598723388.db2.gz CSCODFCZEMYRPP-UHFFFAOYSA-N -1 3 386.337 3.677 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115505 598723974 /nfs/dbraw/zinc/72/39/74/598723974.db2.gz YMOLZXOKTYERQE-CQSZACIVSA-N -1 3 394.454 3.836 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115505 598723975 /nfs/dbraw/zinc/72/39/75/598723975.db2.gz YMOLZXOKTYERQE-CQSZACIVSA-N -1 3 394.454 3.836 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000735875032 598735575 /nfs/dbraw/zinc/73/55/75/598735575.db2.gz YHCRUSYXDGVHPG-UHFFFAOYSA-N -1 3 394.460 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000735875032 598735576 /nfs/dbraw/zinc/73/55/76/598735576.db2.gz YHCRUSYXDGVHPG-UHFFFAOYSA-N -1 3 394.460 3.634 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505433 598736196 /nfs/dbraw/zinc/73/61/96/598736196.db2.gz NTEGWCHZNVSYJH-OAHLLOKOSA-N -1 3 388.475 3.809 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505433 598736197 /nfs/dbraw/zinc/73/61/97/598736197.db2.gz NTEGWCHZNVSYJH-OAHLLOKOSA-N -1 3 388.475 3.809 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ncoc1-c1ccccc1 ZINC000738206062 598742570 /nfs/dbraw/zinc/74/25/70/598742570.db2.gz BAZWCXISQVJJLL-UHFFFAOYSA-N -1 3 392.444 3.714 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ncoc1-c1ccccc1 ZINC000738206062 598742572 /nfs/dbraw/zinc/74/25/72/598742572.db2.gz BAZWCXISQVJJLL-UHFFFAOYSA-N -1 3 392.444 3.714 20 0 GHADHM Brc1ccc(-c2c[nH]c(C=Cc3ccc(-c4nnn[n-]4)cn3)n2)cc1 ZINC000735369812 598761219 /nfs/dbraw/zinc/76/12/19/598761219.db2.gz XIRSJCBOECFSFA-BQYQJAHWSA-N -1 3 394.236 3.585 20 0 GHADHM Brc1ccc(-c2c[nH]c(C=Cc3ccc(-c4nn[n-]n4)cn3)n2)cc1 ZINC000735369812 598761220 /nfs/dbraw/zinc/76/12/20/598761220.db2.gz XIRSJCBOECFSFA-BQYQJAHWSA-N -1 3 394.236 3.585 20 0 GHADHM COc1cc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3)cs2)ccc1O ZINC000737023787 598761728 /nfs/dbraw/zinc/76/17/28/598761728.db2.gz DJXANESRVLHLFZ-UHFFFAOYSA-N -1 3 397.485 3.997 20 0 GHADHM COc1cc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3)cs2)ccc1O ZINC000737023787 598761730 /nfs/dbraw/zinc/76/17/30/598761730.db2.gz DJXANESRVLHLFZ-UHFFFAOYSA-N -1 3 397.485 3.997 20 0 GHADHM CSc1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000737191915 598763526 /nfs/dbraw/zinc/76/35/26/598763526.db2.gz DTLPLGWSQCNTAK-UHFFFAOYSA-N -1 3 384.446 3.557 20 0 GHADHM CSc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000737191915 598763528 /nfs/dbraw/zinc/76/35/28/598763528.db2.gz DTLPLGWSQCNTAK-UHFFFAOYSA-N -1 3 384.446 3.557 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737425102 598778935 /nfs/dbraw/zinc/77/89/35/598778935.db2.gz YYDLOOUWENQDBD-IBGZPJMESA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737425102 598778936 /nfs/dbraw/zinc/77/89/36/598778936.db2.gz YYDLOOUWENQDBD-IBGZPJMESA-N -1 3 378.480 3.762 20 0 GHADHM CCc1ccccc1NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736702717 598782001 /nfs/dbraw/zinc/78/20/01/598782001.db2.gz WCPLERYFVZHWTG-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000736508798 598793342 /nfs/dbraw/zinc/79/33/42/598793342.db2.gz NIACCVWBHRMROJ-OAQYLSRUSA-N -1 3 398.470 3.822 20 0 GHADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000736508798 598793343 /nfs/dbraw/zinc/79/33/43/598793343.db2.gz NIACCVWBHRMROJ-OAQYLSRUSA-N -1 3 398.470 3.822 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737801096 598794445 /nfs/dbraw/zinc/79/44/45/598794445.db2.gz RUHPKYMITTYSGE-LNENJAERSA-N -1 3 381.386 3.522 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737801096 598794447 /nfs/dbraw/zinc/79/44/47/598794447.db2.gz RUHPKYMITTYSGE-LNENJAERSA-N -1 3 381.386 3.522 20 0 GHADHM Clc1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000737577258 598795869 /nfs/dbraw/zinc/79/58/69/598795869.db2.gz VFYKPMVVZPPFRL-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000737577258 598795871 /nfs/dbraw/zinc/79/58/71/598795871.db2.gz VFYKPMVVZPPFRL-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736212423 598799526 /nfs/dbraw/zinc/79/95/26/598799526.db2.gz YNPACRIATYYGRT-UHFFFAOYSA-N -1 3 393.451 3.708 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736212423 598799527 /nfs/dbraw/zinc/79/95/27/598799527.db2.gz YNPACRIATYYGRT-UHFFFAOYSA-N -1 3 393.451 3.708 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736269546 598803631 /nfs/dbraw/zinc/80/36/31/598803631.db2.gz HFGKJNGKXXKKBR-HNAYVOBHSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736269546 598803633 /nfs/dbraw/zinc/80/36/33/598803633.db2.gz HFGKJNGKXXKKBR-HNAYVOBHSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736375645 598804403 /nfs/dbraw/zinc/80/44/03/598804403.db2.gz IWHQAYKVENJBNL-LJQANCHMSA-N -1 3 385.512 3.589 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736375645 598804405 /nfs/dbraw/zinc/80/44/05/598804405.db2.gz IWHQAYKVENJBNL-LJQANCHMSA-N -1 3 385.512 3.589 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000738150172 598806690 /nfs/dbraw/zinc/80/66/90/598806690.db2.gz ALENXYGISFWJSX-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000738150172 598806691 /nfs/dbraw/zinc/80/66/91/598806691.db2.gz ALENXYGISFWJSX-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM CCOc1ccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821422307 607367434 /nfs/dbraw/zinc/36/74/34/607367434.db2.gz SVGVOOMWMADEFA-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM CCOc1ccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821422307 607367435 /nfs/dbraw/zinc/36/74/35/607367435.db2.gz SVGVOOMWMADEFA-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM Cc1cc(N(C)[C@@H](C)c2cccnc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270986 598815511 /nfs/dbraw/zinc/81/55/11/598815511.db2.gz PYUMINIRNMPOSM-AWEZNQCLSA-N -1 3 384.447 3.568 20 0 GHADHM Cc1cc(N(C)[C@@H](C)c2cccnc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270986 598815512 /nfs/dbraw/zinc/81/55/12/598815512.db2.gz PYUMINIRNMPOSM-AWEZNQCLSA-N -1 3 384.447 3.568 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000736183081 598822890 /nfs/dbraw/zinc/82/28/90/598822890.db2.gz QMQPGQXDVLCZRD-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000736183081 598822891 /nfs/dbraw/zinc/82/28/91/598822891.db2.gz QMQPGQXDVLCZRD-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM Cc1cccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822303788 599295731 /nfs/dbraw/zinc/29/57/31/599295731.db2.gz JEHUQHRCKVUYTE-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM Cc1cccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822303788 599295733 /nfs/dbraw/zinc/29/57/33/599295733.db2.gz JEHUQHRCKVUYTE-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM CN(C(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736747661 599305339 /nfs/dbraw/zinc/30/53/39/599305339.db2.gz FPRZTHUCONCAOM-UHFFFAOYSA-N -1 3 396.410 3.952 20 0 GHADHM CN(C(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736747661 599305342 /nfs/dbraw/zinc/30/53/42/599305342.db2.gz FPRZTHUCONCAOM-UHFFFAOYSA-N -1 3 396.410 3.952 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1csc(-c2ccccn2)n1 ZINC000821752672 607368000 /nfs/dbraw/zinc/36/80/00/607368000.db2.gz QGWFSQIJNWESFP-UHFFFAOYSA-N -1 3 396.501 3.827 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1csc(-c2ccccn2)n1 ZINC000821752672 607368002 /nfs/dbraw/zinc/36/80/02/607368002.db2.gz QGWFSQIJNWESFP-UHFFFAOYSA-N -1 3 396.501 3.827 20 0 GHADHM COc1ccc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1Br ZINC000821777900 599320259 /nfs/dbraw/zinc/32/02/59/599320259.db2.gz OAMZLLLCMUTGSC-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1Br ZINC000821777900 599320262 /nfs/dbraw/zinc/32/02/62/599320262.db2.gz OAMZLLLCMUTGSC-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427899 599334316 /nfs/dbraw/zinc/33/43/16/599334316.db2.gz JKHQBISZIITQLZ-GJZGRUSLSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427899 599334319 /nfs/dbraw/zinc/33/43/19/599334319.db2.gz JKHQBISZIITQLZ-GJZGRUSLSA-N -1 3 381.505 3.674 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821482806 599345466 /nfs/dbraw/zinc/34/54/66/599345466.db2.gz VEBWNPAIZJCYSQ-ZIAGYGMSSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821482806 599345468 /nfs/dbraw/zinc/34/54/68/599345468.db2.gz VEBWNPAIZJCYSQ-ZIAGYGMSSA-N -1 3 381.505 3.787 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000820555100 599350266 /nfs/dbraw/zinc/35/02/66/599350266.db2.gz GCZBLGWKDMENDM-STQMWFEESA-N -1 3 393.472 3.971 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000820555100 599350269 /nfs/dbraw/zinc/35/02/69/599350269.db2.gz GCZBLGWKDMENDM-STQMWFEESA-N -1 3 393.472 3.971 20 0 GHADHM CCc1nnc([C@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000821516701 599367201 /nfs/dbraw/zinc/36/72/01/599367201.db2.gz AMHYPSSAPXIPRN-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1nnc([C@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000821516701 599367204 /nfs/dbraw/zinc/36/72/04/599367204.db2.gz AMHYPSSAPXIPRN-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM Brc1cccnc1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735376157 599369234 /nfs/dbraw/zinc/36/92/34/599369234.db2.gz ZVGNFAYZVRYASD-UHFFFAOYSA-N -1 3 392.282 3.585 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000735829735 599371446 /nfs/dbraw/zinc/37/14/46/599371446.db2.gz NBLFOVWEHXXDOV-UHFFFAOYSA-N -1 3 395.482 3.968 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000735829735 599371449 /nfs/dbraw/zinc/37/14/49/599371449.db2.gz NBLFOVWEHXXDOV-UHFFFAOYSA-N -1 3 395.482 3.968 20 0 GHADHM CCC[C@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)OCC ZINC000821020541 599371733 /nfs/dbraw/zinc/37/17/33/599371733.db2.gz DKSIULMMQUQBDD-SFHVURJKSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)OCC ZINC000821020541 599371736 /nfs/dbraw/zinc/37/17/36/599371736.db2.gz DKSIULMMQUQBDD-SFHVURJKSA-N -1 3 381.436 3.803 20 0 GHADHM CCc1nnc([C@@H](C)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000821518538 599376167 /nfs/dbraw/zinc/37/61/67/599376167.db2.gz ZDXWYTPGDDJNMM-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415127 607372410 /nfs/dbraw/zinc/37/24/10/607372410.db2.gz SEZGCQGXLDQWRI-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415127 607372413 /nfs/dbraw/zinc/37/24/13/607372413.db2.gz SEZGCQGXLDQWRI-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM Cc1ccccc1-c1nc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)no1 ZINC000822345474 607373291 /nfs/dbraw/zinc/37/32/91/607373291.db2.gz JSOCENXSSHJVMF-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccccc1-c1nc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)no1 ZINC000822345474 607373293 /nfs/dbraw/zinc/37/32/93/607373293.db2.gz JSOCENXSSHJVMF-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Brc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000735368853 599404027 /nfs/dbraw/zinc/40/40/27/599404027.db2.gz NXBSMJABOGABKK-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000735368853 599404029 /nfs/dbraw/zinc/40/40/29/599404029.db2.gz NXBSMJABOGABKK-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Cc1cccc(COc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)c1 ZINC000822303757 599404594 /nfs/dbraw/zinc/40/45/94/599404594.db2.gz IFABJEABPFFBBT-UHFFFAOYSA-N -1 3 375.432 3.637 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178449 599408399 /nfs/dbraw/zinc/40/83/99/599408399.db2.gz QMTFSYHSNJSLGB-LSDHHAIUSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178449 599408403 /nfs/dbraw/zinc/40/84/03/599408403.db2.gz QMTFSYHSNJSLGB-LSDHHAIUSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820359756 599408785 /nfs/dbraw/zinc/40/87/85/599408785.db2.gz VGTUNAJWXPRADN-BEFAXECRSA-N -1 3 378.480 3.667 20 0 GHADHM CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820359756 599408788 /nfs/dbraw/zinc/40/87/88/599408788.db2.gz VGTUNAJWXPRADN-BEFAXECRSA-N -1 3 378.480 3.667 20 0 GHADHM CCn1c(SCc2cc(-c3nnn[n-]3)ccc2OC)nnc1-c1cccs1 ZINC000821565200 607374861 /nfs/dbraw/zinc/37/48/61/607374861.db2.gz IMOWYQQITJRRQC-UHFFFAOYSA-N -1 3 399.505 3.508 20 0 GHADHM CCn1c(SCc2cc(-c3nn[n-]n3)ccc2OC)nnc1-c1cccs1 ZINC000821565200 607374863 /nfs/dbraw/zinc/37/48/63/607374863.db2.gz IMOWYQQITJRRQC-UHFFFAOYSA-N -1 3 399.505 3.508 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820155732 599416153 /nfs/dbraw/zinc/41/61/53/599416153.db2.gz VYNJMHCGNHFMEM-CABCVRRESA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820155732 599416156 /nfs/dbraw/zinc/41/61/56/599416156.db2.gz VYNJMHCGNHFMEM-CABCVRRESA-N -1 3 394.479 3.775 20 0 GHADHM Brc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735368336 599419986 /nfs/dbraw/zinc/41/99/86/599419986.db2.gz JXCPRKPDXBIUCN-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735368336 599419988 /nfs/dbraw/zinc/41/99/88/599419988.db2.gz JXCPRKPDXBIUCN-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM c1ccc2c(c1)nc(N1CCC(OC3CCCCC3)CC1)cc2-c1nnn[n-]1 ZINC000738432990 599423723 /nfs/dbraw/zinc/42/37/23/599423723.db2.gz LRDRXXZZQCXHSI-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM c1ccc2c(c1)nc(N1CCC(OC3CCCCC3)CC1)cc2-c1nn[n-]n1 ZINC000738432990 599423725 /nfs/dbraw/zinc/42/37/25/599423725.db2.gz LRDRXXZZQCXHSI-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357316 599424567 /nfs/dbraw/zinc/42/45/67/599424567.db2.gz GAANRUSQZCHFAI-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357316 599424570 /nfs/dbraw/zinc/42/45/70/599424570.db2.gz GAANRUSQZCHFAI-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821431256 599430997 /nfs/dbraw/zinc/43/09/97/599430997.db2.gz NPEQQAWAGKYWKD-RDTXWAMCSA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821431256 599430999 /nfs/dbraw/zinc/43/09/99/599430999.db2.gz NPEQQAWAGKYWKD-RDTXWAMCSA-N -1 3 394.479 3.777 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358544 599436749 /nfs/dbraw/zinc/43/67/49/599436749.db2.gz NMSGYWRYLUCYMT-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358544 599436752 /nfs/dbraw/zinc/43/67/52/599436752.db2.gz NMSGYWRYLUCYMT-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821022383 599446158 /nfs/dbraw/zinc/44/61/58/599446158.db2.gz ROHSTBJKNSHPPT-HXUWFJFHSA-N -1 3 392.507 3.810 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821022383 599446160 /nfs/dbraw/zinc/44/61/60/599446160.db2.gz ROHSTBJKNSHPPT-HXUWFJFHSA-N -1 3 392.507 3.810 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1CC1CCCCC1 ZINC000823233404 599461753 /nfs/dbraw/zinc/46/17/53/599461753.db2.gz GTTAXWHYAULEFN-KRWDZBQOSA-N -1 3 386.475 3.650 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1CC1CCCCC1 ZINC000823233404 599461755 /nfs/dbraw/zinc/46/17/55/599461755.db2.gz GTTAXWHYAULEFN-KRWDZBQOSA-N -1 3 386.475 3.650 20 0 GHADHM CCSCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821454127 599471611 /nfs/dbraw/zinc/47/16/11/599471611.db2.gz DDZBZHPWZCPXTE-OAHLLOKOSA-N -1 3 390.557 3.566 20 0 GHADHM CCSCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821454127 599471612 /nfs/dbraw/zinc/47/16/12/599471612.db2.gz DDZBZHPWZCPXTE-OAHLLOKOSA-N -1 3 390.557 3.566 20 0 GHADHM CC1CCN(c2ccc(CNc3c(Cl)cccc3-c3nnn[n-]3)cn2)CC1 ZINC000820728823 599480199 /nfs/dbraw/zinc/48/01/99/599480199.db2.gz YTOVNXWPYIEJGI-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM CC1CCN(c2ccc(CNc3c(Cl)cccc3-c3nn[n-]n3)cn2)CC1 ZINC000820728823 599480200 /nfs/dbraw/zinc/48/02/00/599480200.db2.gz YTOVNXWPYIEJGI-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM Fc1ccc(OC2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000822783199 599483691 /nfs/dbraw/zinc/48/36/91/599483691.db2.gz ZLDPHJQQCHKBNP-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM Fc1ccc(OC2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000822783199 599483692 /nfs/dbraw/zinc/48/36/92/599483692.db2.gz ZLDPHJQQCHKBNP-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM CCC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000736308588 599520202 /nfs/dbraw/zinc/52/02/02/599520202.db2.gz FFBYBYNIAMNBKO-UHFFFAOYSA-N -1 3 390.369 3.846 20 0 GHADHM C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321027 599521356 /nfs/dbraw/zinc/52/13/56/599521356.db2.gz BIINXLYNCOFHAC-BLLLJJGKSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321027 599521357 /nfs/dbraw/zinc/52/13/57/599521357.db2.gz BIINXLYNCOFHAC-BLLLJJGKSA-N -1 3 389.381 3.780 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821853783 599524561 /nfs/dbraw/zinc/52/45/61/599524561.db2.gz AAYVIPMGSCDVKA-OCOPJHETSA-N -1 3 399.454 3.919 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821853783 599524562 /nfs/dbraw/zinc/52/45/62/599524562.db2.gz AAYVIPMGSCDVKA-OCOPJHETSA-N -1 3 399.454 3.919 20 0 GHADHM Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822229459 599525224 /nfs/dbraw/zinc/52/52/24/599525224.db2.gz VGNWEAIMYRZOON-OAHLLOKOSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822229459 599525226 /nfs/dbraw/zinc/52/52/26/599525226.db2.gz VGNWEAIMYRZOON-OAHLLOKOSA-N -1 3 379.464 3.555 20 0 GHADHM C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396077 599534111 /nfs/dbraw/zinc/53/41/11/599534111.db2.gz CGTGDSZRKXDITJ-AWEZNQCLSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396077 599534113 /nfs/dbraw/zinc/53/41/13/599534113.db2.gz CGTGDSZRKXDITJ-AWEZNQCLSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2ccccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403455 599534612 /nfs/dbraw/zinc/53/46/12/599534612.db2.gz KIUYWSCDHLUQAV-LLVKDONJSA-N -1 3 394.435 3.620 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403455 599534617 /nfs/dbraw/zinc/53/46/17/599534617.db2.gz KIUYWSCDHLUQAV-LLVKDONJSA-N -1 3 394.435 3.620 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccsc1 ZINC000735560317 599540966 /nfs/dbraw/zinc/54/09/66/599540966.db2.gz PXFAVTIELVFSQI-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccsc1 ZINC000735560298 599541273 /nfs/dbraw/zinc/54/12/73/599541273.db2.gz PRJAELCOVOSLQZ-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccsc1 ZINC000735560298 599541274 /nfs/dbraw/zinc/54/12/74/599541274.db2.gz PRJAELCOVOSLQZ-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM Cc1cccc(OCCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822327719 599545347 /nfs/dbraw/zinc/54/53/47/599545347.db2.gz JHEJGYFUZDPKQG-INIZCTEOSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1cccc(OCCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822327719 599545349 /nfs/dbraw/zinc/54/53/49/599545349.db2.gz JHEJGYFUZDPKQG-INIZCTEOSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422629 599549314 /nfs/dbraw/zinc/54/93/14/599549314.db2.gz QQLDDQLVKCYLIF-LPHOPBHVSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422629 599549315 /nfs/dbraw/zinc/54/93/15/599549315.db2.gz QQLDDQLVKCYLIF-LPHOPBHVSA-N -1 3 375.476 3.512 20 0 GHADHM O=C(Nc1cc(F)ccc1SCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738145575 599549717 /nfs/dbraw/zinc/54/97/17/599549717.db2.gz UBJABUJKRJSMEW-UHFFFAOYSA-N -1 3 379.367 3.615 20 0 GHADHM O=C(Nc1cc(F)ccc1SCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738145575 599549718 /nfs/dbraw/zinc/54/97/18/599549718.db2.gz UBJABUJKRJSMEW-UHFFFAOYSA-N -1 3 379.367 3.615 20 0 GHADHM CC(C)CN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000735819150 599562048 /nfs/dbraw/zinc/56/20/48/599562048.db2.gz UQHXJKIPVYMCQD-UHFFFAOYSA-N -1 3 376.464 3.871 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820563275 599563004 /nfs/dbraw/zinc/56/30/04/599563004.db2.gz PLBKFFINMPBHOH-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820563275 599563007 /nfs/dbraw/zinc/56/30/07/599563007.db2.gz PLBKFFINMPBHOH-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000738272827 599566448 /nfs/dbraw/zinc/56/64/48/599566448.db2.gz FVORUCHHBLAZLM-HXUWFJFHSA-N -1 3 399.458 3.916 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000823487871 599567315 /nfs/dbraw/zinc/56/73/15/599567315.db2.gz IFPKTGBSZBOEQF-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000823487871 599567318 /nfs/dbraw/zinc/56/73/18/599567318.db2.gz IFPKTGBSZBOEQF-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000737333384 599614488 /nfs/dbraw/zinc/61/44/88/599614488.db2.gz ADOVLDHCRBPYOV-ZDUSSCGKSA-N -1 3 396.520 3.542 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000737333384 599614491 /nfs/dbraw/zinc/61/44/91/599614491.db2.gz ADOVLDHCRBPYOV-ZDUSSCGKSA-N -1 3 396.520 3.542 20 0 GHADHM C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000820512072 599627780 /nfs/dbraw/zinc/62/77/80/599627780.db2.gz GGUSXVIFXITWJD-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000820512072 599627781 /nfs/dbraw/zinc/62/77/81/599627781.db2.gz GGUSXVIFXITWJD-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM C[C@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000820513128 599627934 /nfs/dbraw/zinc/62/79/34/599627934.db2.gz VJEMXLFHUZTEFS-JTQLQIEISA-N -1 3 377.326 3.718 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000821859617 599628212 /nfs/dbraw/zinc/62/82/12/599628212.db2.gz RCSKNTUDLDNLKI-KUHUBIRLSA-N -1 3 396.447 3.583 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000821859617 599628213 /nfs/dbraw/zinc/62/82/13/599628213.db2.gz RCSKNTUDLDNLKI-KUHUBIRLSA-N -1 3 396.447 3.583 20 0 GHADHM Cc1sc(NC(=O)[C@H]2SCCc3sccc32)c(-c2nnn[n-]2)c1C ZINC000822559202 599629191 /nfs/dbraw/zinc/62/91/91/599629191.db2.gz YACWEMWASXRISZ-LBPRGKRZSA-N -1 3 377.520 3.576 20 0 GHADHM Cc1sc(NC(=O)[C@H]2SCCc3sccc32)c(-c2nn[n-]n2)c1C ZINC000822559202 599629192 /nfs/dbraw/zinc/62/91/92/599629192.db2.gz YACWEMWASXRISZ-LBPRGKRZSA-N -1 3 377.520 3.576 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000821401320 599630554 /nfs/dbraw/zinc/63/05/54/599630554.db2.gz VXFYNQVBXSEMSC-LXZKKBNFSA-N -1 3 387.484 3.578 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000821401320 599630555 /nfs/dbraw/zinc/63/05/55/599630555.db2.gz VXFYNQVBXSEMSC-LXZKKBNFSA-N -1 3 387.484 3.578 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)CCOc1ccccc1 ZINC000821099599 599648005 /nfs/dbraw/zinc/64/80/05/599648005.db2.gz KKRAOXQVAXJCMW-KRWDZBQOSA-N -1 3 393.491 3.711 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)CCOc1ccccc1 ZINC000821099599 599648006 /nfs/dbraw/zinc/64/80/06/599648006.db2.gz KKRAOXQVAXJCMW-KRWDZBQOSA-N -1 3 393.491 3.711 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820966066 599655659 /nfs/dbraw/zinc/65/56/59/599655659.db2.gz BQTHCXCYBUYHSK-YJBOKZPZSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820966066 599655660 /nfs/dbraw/zinc/65/56/60/599655660.db2.gz BQTHCXCYBUYHSK-YJBOKZPZSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820966059 599655808 /nfs/dbraw/zinc/65/58/08/599655808.db2.gz BQTHCXCYBUYHSK-MAUKXSAKSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820966059 599655809 /nfs/dbraw/zinc/65/58/09/599655809.db2.gz BQTHCXCYBUYHSK-MAUKXSAKSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820967870 599656118 /nfs/dbraw/zinc/65/61/18/599656118.db2.gz XODHULSHZMECIL-YJBOKZPZSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820967870 599656119 /nfs/dbraw/zinc/65/61/19/599656119.db2.gz XODHULSHZMECIL-YJBOKZPZSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822232827 599669239 /nfs/dbraw/zinc/66/92/39/599669239.db2.gz BRJSHXBAXVTWSA-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822232827 599669240 /nfs/dbraw/zinc/66/92/40/599669240.db2.gz BRJSHXBAXVTWSA-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822299330 599675343 /nfs/dbraw/zinc/67/53/43/599675343.db2.gz FVLSNHLHFWZOOC-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822299330 599675344 /nfs/dbraw/zinc/67/53/44/599675344.db2.gz FVLSNHLHFWZOOC-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823146637 599676712 /nfs/dbraw/zinc/67/67/12/599676712.db2.gz XLPCHOMBGNNJCD-RBUKOAKNSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823146637 599676713 /nfs/dbraw/zinc/67/67/13/599676713.db2.gz XLPCHOMBGNNJCD-RBUKOAKNSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(c1cccc2cnccc21)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823493258 599690405 /nfs/dbraw/zinc/69/04/05/599690405.db2.gz JSFCHDMVLMZABJ-UHFFFAOYSA-N -1 3 396.410 3.855 20 0 GHADHM O=C(c1cccc2cnccc21)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823493258 599690406 /nfs/dbraw/zinc/69/04/06/599690406.db2.gz JSFCHDMVLMZABJ-UHFFFAOYSA-N -1 3 396.410 3.855 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000738769548 599829963 /nfs/dbraw/zinc/82/99/63/599829963.db2.gz DITFXYHWLCZNPX-UHFFFAOYSA-N -1 3 395.503 3.752 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736723528 599830755 /nfs/dbraw/zinc/83/07/55/599830755.db2.gz GUVFQRCRRISWSR-OXQOHEQNSA-N -1 3 381.476 3.661 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccsc1 ZINC000737086027 599837197 /nfs/dbraw/zinc/83/71/97/599837197.db2.gz SCMIZRMENALEJW-INIZCTEOSA-N -1 3 379.457 3.790 20 0 GHADHM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000738202653 599852727 /nfs/dbraw/zinc/85/27/27/599852727.db2.gz KKQQQLWJXJPPEK-FQEVSTJZSA-N -1 3 398.528 3.950 20 0 GHADHM O=C([O-])CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000739796427 599865179 /nfs/dbraw/zinc/86/51/79/599865179.db2.gz AACLWDRTQWBHMD-UHFFFAOYSA-N -1 3 389.320 3.993 20 0 GHADHM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000737079866 600090653 /nfs/dbraw/zinc/09/06/53/600090653.db2.gz UVOVKFALKKIZJR-IEBWSBKVSA-N -1 3 397.519 3.670 20 0 GHADHM O=C(Cc1c(Cl)cccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421590 607426447 /nfs/dbraw/zinc/42/64/47/607426447.db2.gz PDGUEDDSAVXDJK-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1c(Cl)cccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421590 607426448 /nfs/dbraw/zinc/42/64/48/607426448.db2.gz PDGUEDDSAVXDJK-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000820166237 607430698 /nfs/dbraw/zinc/43/06/98/607430698.db2.gz USYHYNRDRUCALL-MRXNPFEDSA-N -1 3 392.463 3.675 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000820166237 607430699 /nfs/dbraw/zinc/43/06/99/607430699.db2.gz USYHYNRDRUCALL-MRXNPFEDSA-N -1 3 392.463 3.675 20 0 GHADHM Cc1ccccc1C(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738755159 600400336 /nfs/dbraw/zinc/40/03/36/600400336.db2.gz OVJFVTBQQACSEW-IBGZPJMESA-N -1 3 386.879 3.669 20 0 GHADHM O=C([O-])[C@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000738525288 600431089 /nfs/dbraw/zinc/43/10/89/600431089.db2.gz JNRDPAFGIPOFHL-JOCHJYFZSA-N -1 3 384.439 3.850 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(F)cc1Br ZINC000822748249 607445170 /nfs/dbraw/zinc/44/51/70/607445170.db2.gz OZYWGCGUBDCBSC-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(F)cc1Br ZINC000822748249 607445172 /nfs/dbraw/zinc/44/51/72/607445172.db2.gz OZYWGCGUBDCBSC-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM CC(C)[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000824192688 607446386 /nfs/dbraw/zinc/44/63/86/607446386.db2.gz LFGCSLBRWKOIAA-SFHVURJKSA-N -1 3 394.454 3.691 20 0 GHADHM CC(C)[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000824192688 607446387 /nfs/dbraw/zinc/44/63/87/607446387.db2.gz LFGCSLBRWKOIAA-SFHVURJKSA-N -1 3 394.454 3.691 20 0 GHADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737369875 600515116 /nfs/dbraw/zinc/51/51/16/600515116.db2.gz LTMGOXBIDHLJKZ-UHFFFAOYSA-N -1 3 389.883 3.676 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823032126 607453722 /nfs/dbraw/zinc/45/37/22/607453722.db2.gz NVUCWZNPXOXNKE-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823032126 607453725 /nfs/dbraw/zinc/45/37/25/607453725.db2.gz NVUCWZNPXOXNKE-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM Cc1cc(CNC2(c3cccc(F)c3)CCOCC2)cc(C)c1OCC(=O)[O-] ZINC000832883521 600809744 /nfs/dbraw/zinc/80/97/44/600809744.db2.gz XQJOPRJZWXETOV-UHFFFAOYSA-N -1 3 387.451 3.701 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000828284443 600834858 /nfs/dbraw/zinc/83/48/58/600834858.db2.gz FURLWYRTDRNYLR-GVDBMIGSSA-N -1 3 378.538 3.528 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCN1Cc1ccccc1 ZINC000828278420 601011735 /nfs/dbraw/zinc/01/17/35/601011735.db2.gz PTSZDOBJHYSUGF-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)cc1OC ZINC000830054232 601035511 /nfs/dbraw/zinc/03/55/11/601035511.db2.gz VNILOMMTYYQGIR-IBGZPJMESA-N -1 3 376.478 3.560 20 0 GHADHM CC[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(C(F)(F)F)cs1 ZINC000820925971 607485329 /nfs/dbraw/zinc/48/53/29/607485329.db2.gz NUWMANGHTMICFK-NSHDSACASA-N -1 3 386.378 3.722 20 0 GHADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(C(F)(F)F)cs1 ZINC000820925971 607485331 /nfs/dbraw/zinc/48/53/31/607485331.db2.gz NUWMANGHTMICFK-NSHDSACASA-N -1 3 386.378 3.722 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820426548 607485336 /nfs/dbraw/zinc/48/53/36/607485336.db2.gz LLJWIIBOGMSCNE-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820426548 607485338 /nfs/dbraw/zinc/48/53/38/607485338.db2.gz LLJWIIBOGMSCNE-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)N(C)C)cc1 ZINC000832924445 601092204 /nfs/dbraw/zinc/09/22/04/601092204.db2.gz WHIMAVVCPKCPDG-IBGZPJMESA-N -1 3 383.492 3.782 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000826055266 601203046 /nfs/dbraw/zinc/20/30/46/601203046.db2.gz XQJBLFMYZANIES-YVEFUNNKSA-N -1 3 380.366 3.696 20 0 GHADHM Cc1oc(CN(C)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833025102 601307983 /nfs/dbraw/zinc/30/79/83/601307983.db2.gz AWZDTFQRJSNDHF-UHFFFAOYSA-N -1 3 384.354 3.766 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000830369988 601415933 /nfs/dbraw/zinc/41/59/33/601415933.db2.gz XIURVKMKAUTJRA-MRXNPFEDSA-N -1 3 399.491 3.882 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000823487499 607507134 /nfs/dbraw/zinc/50/71/34/607507134.db2.gz DBHUUAKJCWCCQL-UHFFFAOYSA-N -1 3 399.907 3.917 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000823487499 607507136 /nfs/dbraw/zinc/50/71/36/607507136.db2.gz DBHUUAKJCWCCQL-UHFFFAOYSA-N -1 3 399.907 3.917 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000830563649 601532418 /nfs/dbraw/zinc/53/24/18/601532418.db2.gz MHRZDYJNQXWROR-UHFFFAOYSA-N -1 3 394.443 3.825 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000827688293 601632725 /nfs/dbraw/zinc/63/27/25/601632725.db2.gz UHFADSTXSIXYPP-CYBMUJFWSA-N -1 3 380.460 3.649 20 0 GHADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000825833846 601633789 /nfs/dbraw/zinc/63/37/89/601633789.db2.gz HREDOXYMXSBUCD-SFHVURJKSA-N -1 3 378.538 3.758 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000826044752 601651028 /nfs/dbraw/zinc/65/10/28/601651028.db2.gz KZLXBCBEPMTZKM-FDDCHVKYSA-N -1 3 394.515 3.519 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000662216952 601844336 /nfs/dbraw/zinc/84/43/36/601844336.db2.gz BDUWJJUTPOIWGD-IAGOWNOFSA-N -1 3 382.504 3.982 20 0 GHADHM COc1ccc(CSCc2cc3ccccc3[nH]c2=O)cc1-c1nnn[n-]1 ZINC000826207944 607534305 /nfs/dbraw/zinc/53/43/05/607534305.db2.gz LLAWOEMQIUNFSG-UHFFFAOYSA-N -1 3 379.445 3.563 20 0 GHADHM COc1ccc(CSCc2cc3ccccc3[nH]c2=O)cc1-c1nn[n-]n1 ZINC000826207944 607534306 /nfs/dbraw/zinc/53/43/06/607534306.db2.gz LLAWOEMQIUNFSG-UHFFFAOYSA-N -1 3 379.445 3.563 20 0 GHADHM C[C@@H](N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827710613 601974585 /nfs/dbraw/zinc/97/45/85/601974585.db2.gz SZEHGEFUFZRXDN-MGNBDDOMSA-N -1 3 393.270 3.989 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177121 602041998 /nfs/dbraw/zinc/04/19/98/602041998.db2.gz NKBPIMAGDUEBTD-UZLBHIALSA-N -1 3 396.491 3.581 20 0 GHADHM O=C([O-])Nc1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)ccc1F ZINC000740696105 602487377 /nfs/dbraw/zinc/48/73/77/602487377.db2.gz NSQSIGVASYMPJA-QGZVFWFLSA-N -1 3 385.439 3.700 20 0 GHADHM Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1NC(=O)[O-] ZINC000830211007 602919253 /nfs/dbraw/zinc/91/92/53/602919253.db2.gz HQVRYNBEBLFFCL-UHFFFAOYSA-N -1 3 391.537 3.566 20 0 GHADHM O=C([O-])NC[C@H]1CCCC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000832516131 603172462 /nfs/dbraw/zinc/17/24/62/603172462.db2.gz TVDUHGINIBWRJY-RHSMWYFYSA-N -1 3 375.494 3.638 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1 ZINC000830573673 603323832 /nfs/dbraw/zinc/32/38/32/603323832.db2.gz RYZCPRNCQFFKDA-UHFFFAOYSA-N -1 3 381.476 3.741 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000825423316 603812113 /nfs/dbraw/zinc/81/21/13/603812113.db2.gz OPBVJPXWJIEXRA-AWEZNQCLSA-N -1 3 390.509 3.672 20 0 GHADHM COc1cc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3C)n2)cc(Cl)c1OC ZINC000826176286 607658480 /nfs/dbraw/zinc/65/84/80/607658480.db2.gz IZPRJAJNKHOLQM-UHFFFAOYSA-N -1 3 398.810 3.563 20 0 GHADHM COc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3C)n2)cc(Cl)c1OC ZINC000826176286 607658481 /nfs/dbraw/zinc/65/84/81/607658481.db2.gz IZPRJAJNKHOLQM-UHFFFAOYSA-N -1 3 398.810 3.563 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000826246355 607660405 /nfs/dbraw/zinc/66/04/05/607660405.db2.gz BUPNQCWHNAPBHU-FQEVSTJZSA-N -1 3 387.418 3.834 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000826246355 607660407 /nfs/dbraw/zinc/66/04/07/607660407.db2.gz BUPNQCWHNAPBHU-FQEVSTJZSA-N -1 3 387.418 3.834 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(Br)cc1 ZINC000825379541 607661153 /nfs/dbraw/zinc/66/11/53/607661153.db2.gz HUFRTVWRNLLAKB-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(Br)cc1 ZINC000825379541 607661155 /nfs/dbraw/zinc/66/11/55/607661155.db2.gz HUFRTVWRNLLAKB-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000826250903 607665654 /nfs/dbraw/zinc/66/56/54/607665654.db2.gz YIXXJVBSNBDSHR-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000826250903 607665656 /nfs/dbraw/zinc/66/56/56/607665656.db2.gz YIXXJVBSNBDSHR-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826218809 607685850 /nfs/dbraw/zinc/68/58/50/607685850.db2.gz LGJXXNRHGDASEQ-SFHVURJKSA-N -1 3 377.448 3.551 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826218809 607685853 /nfs/dbraw/zinc/68/58/53/607685853.db2.gz LGJXXNRHGDASEQ-SFHVURJKSA-N -1 3 377.448 3.551 20 0 GHADHM CC[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082728 607693180 /nfs/dbraw/zinc/69/31/80/607693180.db2.gz VBIGAVPXIFXEEB-HUUCEWRRSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082728 607693182 /nfs/dbraw/zinc/69/31/82/607693182.db2.gz VBIGAVPXIFXEEB-HUUCEWRRSA-N -1 3 379.464 3.636 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)CNC2(C(=O)[O-])CCCCCC2)cc1 ZINC000833662844 604481714 /nfs/dbraw/zinc/48/17/14/604481714.db2.gz DBBDZUWRPHZEMI-IBGZPJMESA-N -1 3 388.508 3.516 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826285073 607697131 /nfs/dbraw/zinc/69/71/31/607697131.db2.gz OVJXPBQHIWGWHO-UXHICEINSA-N -1 3 375.476 3.892 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826285073 607697132 /nfs/dbraw/zinc/69/71/32/607697132.db2.gz OVJXPBQHIWGWHO-UXHICEINSA-N -1 3 375.476 3.892 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000826244038 607702806 /nfs/dbraw/zinc/70/28/06/607702806.db2.gz FJVFJUJILQLOTP-UHFFFAOYSA-N -1 3 393.466 3.942 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000826244038 607702808 /nfs/dbraw/zinc/70/28/08/607702808.db2.gz FJVFJUJILQLOTP-UHFFFAOYSA-N -1 3 393.466 3.942 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n2)ccc1F ZINC000826242985 607702911 /nfs/dbraw/zinc/70/29/11/607702911.db2.gz OZARBBPAUFKBPE-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)ccc1F ZINC000826242985 607702912 /nfs/dbraw/zinc/70/29/12/607702912.db2.gz OZARBBPAUFKBPE-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000826472094 607722105 /nfs/dbraw/zinc/72/21/05/607722105.db2.gz XJCVYDQMORZYLW-HNNXBMFYSA-N -1 3 390.369 3.581 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000826472094 607722106 /nfs/dbraw/zinc/72/21/06/607722106.db2.gz XJCVYDQMORZYLW-HNNXBMFYSA-N -1 3 390.369 3.581 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000652499941 604947670 /nfs/dbraw/zinc/94/76/70/604947670.db2.gz STUQZSOIUGGLBU-HNNXBMFYSA-N -1 3 385.483 3.823 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000833421568 604953969 /nfs/dbraw/zinc/95/39/69/604953969.db2.gz RUGKIKONVSLJOI-TZIWHRDSSA-N -1 3 386.536 3.857 20 0 GHADHM COc1ccc([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1NC(C)=O ZINC000829301194 605119633 /nfs/dbraw/zinc/11/96/33/605119633.db2.gz AYNBUHYDWLJVGC-UONOGXRCSA-N -1 3 385.464 3.833 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000833412409 605180398 /nfs/dbraw/zinc/18/03/98/605180398.db2.gz KKBAUNWAGFFSHG-KRWDZBQOSA-N -1 3 383.473 3.677 20 0 GHADHM CC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c2ccccc21 ZINC000833392721 605261302 /nfs/dbraw/zinc/26/13/02/605261302.db2.gz FDDFUWKRGZHDQM-SJLPKXTDSA-N -1 3 392.377 3.919 20 0 GHADHM CC[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825082037 607745805 /nfs/dbraw/zinc/74/58/05/607745805.db2.gz PETKPFZFIFQXGR-GJZGRUSLSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825082037 607745806 /nfs/dbraw/zinc/74/58/06/607745806.db2.gz PETKPFZFIFQXGR-GJZGRUSLSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128222 607761692 /nfs/dbraw/zinc/76/16/92/607761692.db2.gz RYMAOQRYLMQXIY-RHSMWYFYSA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128222 607761693 /nfs/dbraw/zinc/76/16/93/607761693.db2.gz RYMAOQRYLMQXIY-RHSMWYFYSA-N -1 3 396.520 3.798 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(OCc3ccccc3F)CC2)cc1)C(=O)[O-] ZINC000833543624 605550230 /nfs/dbraw/zinc/55/02/30/605550230.db2.gz TUOUFEPEUPCEAQ-MRXNPFEDSA-N -1 3 387.451 3.859 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000825972048 607764143 /nfs/dbraw/zinc/76/41/43/607764143.db2.gz SWJWSSWOSHNUNC-LJQANCHMSA-N -1 3 390.491 3.722 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000825972048 607764144 /nfs/dbraw/zinc/76/41/44/607764144.db2.gz SWJWSSWOSHNUNC-LJQANCHMSA-N -1 3 390.491 3.722 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825127879 607772229 /nfs/dbraw/zinc/77/22/29/607772229.db2.gz PEBVENIMLMZWJY-HNNXBMFYSA-N -1 3 399.545 3.646 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825127879 607772230 /nfs/dbraw/zinc/77/22/30/607772230.db2.gz PEBVENIMLMZWJY-HNNXBMFYSA-N -1 3 399.545 3.646 20 0 GHADHM CCO[C@H](CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C(C)C ZINC000821352212 606040935 /nfs/dbraw/zinc/04/09/35/606040935.db2.gz ZGCHXGKKXNEZHC-OAHLLOKOSA-N -1 3 376.411 3.556 20 0 GHADHM CCO[C@H](CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C(C)C ZINC000821352212 606040940 /nfs/dbraw/zinc/04/09/40/606040940.db2.gz ZGCHXGKKXNEZHC-OAHLLOKOSA-N -1 3 376.411 3.556 20 0 GHADHM CCO[C@@H](CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C(C)C ZINC000821352210 606041207 /nfs/dbraw/zinc/04/12/07/606041207.db2.gz ZGCHXGKKXNEZHC-HNNXBMFYSA-N -1 3 376.411 3.556 20 0 GHADHM CCO[C@@H](CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C(C)C ZINC000821352210 606041211 /nfs/dbraw/zinc/04/12/11/606041211.db2.gz ZGCHXGKKXNEZHC-HNNXBMFYSA-N -1 3 376.411 3.556 20 0 GHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820643333 606138759 /nfs/dbraw/zinc/13/87/59/606138759.db2.gz UNEVPYDYIGJDJU-JSGCOSHPSA-N -1 3 388.397 3.738 20 0 GHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820643333 606138760 /nfs/dbraw/zinc/13/87/60/606138760.db2.gz UNEVPYDYIGJDJU-JSGCOSHPSA-N -1 3 388.397 3.738 20 0 GHADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000819883684 606150180 /nfs/dbraw/zinc/15/01/80/606150180.db2.gz KQJPGIMWZFMHDL-JTQLQIEISA-N -1 3 387.852 3.681 20 0 GHADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000819883684 606150181 /nfs/dbraw/zinc/15/01/81/606150181.db2.gz KQJPGIMWZFMHDL-JTQLQIEISA-N -1 3 387.852 3.681 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822945705 606174884 /nfs/dbraw/zinc/17/48/84/606174884.db2.gz OFDWSGQFGRLRRJ-ARJAWSKDSA-N -1 3 383.452 3.988 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822945705 606174886 /nfs/dbraw/zinc/17/48/86/606174886.db2.gz OFDWSGQFGRLRRJ-ARJAWSKDSA-N -1 3 383.452 3.988 20 0 GHADHM O=C(CSCCc1c(F)cccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823060976 606180162 /nfs/dbraw/zinc/18/01/62/606180162.db2.gz QNPFBHWUKNGLBT-UHFFFAOYSA-N -1 3 391.859 3.574 20 0 GHADHM O=C(CSCCc1c(F)cccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823060976 606180163 /nfs/dbraw/zinc/18/01/63/606180163.db2.gz QNPFBHWUKNGLBT-UHFFFAOYSA-N -1 3 391.859 3.574 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1F ZINC000823426346 606194526 /nfs/dbraw/zinc/19/45/26/606194526.db2.gz FPBNTIFXRWTUSI-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1F ZINC000823426346 606194527 /nfs/dbraw/zinc/19/45/27/606194527.db2.gz FPBNTIFXRWTUSI-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM Fc1ccc(OC2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000822783121 606220443 /nfs/dbraw/zinc/22/04/43/606220443.db2.gz VZAJHVDIWILQPM-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM Fc1ccc(OC2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000822783121 606220445 /nfs/dbraw/zinc/22/04/45/606220445.db2.gz VZAJHVDIWILQPM-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM CC(C)[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1cccnc1 ZINC000820021423 606229320 /nfs/dbraw/zinc/22/93/20/606229320.db2.gz TYFREONCJFCEJO-HNNXBMFYSA-N -1 3 395.417 3.940 20 0 GHADHM CC(C)[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1cccnc1 ZINC000820021423 606229321 /nfs/dbraw/zinc/22/93/21/606229321.db2.gz TYFREONCJFCEJO-HNNXBMFYSA-N -1 3 395.417 3.940 20 0 GHADHM O=C(OCc1ccccn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823430162 606237692 /nfs/dbraw/zinc/23/76/92/606237692.db2.gz FZXWGJJBYYWSAL-UHFFFAOYSA-N -1 3 389.440 3.770 20 0 GHADHM O=C(OCc1ccccn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823430162 606237693 /nfs/dbraw/zinc/23/76/93/606237693.db2.gz FZXWGJJBYYWSAL-UHFFFAOYSA-N -1 3 389.440 3.770 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820643536 606249312 /nfs/dbraw/zinc/24/93/12/606249312.db2.gz WXRXBJSTBQHFNV-WMLDXEAASA-N -1 3 393.495 3.833 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820643536 606249313 /nfs/dbraw/zinc/24/93/13/606249313.db2.gz WXRXBJSTBQHFNV-WMLDXEAASA-N -1 3 393.495 3.833 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819865354 606262577 /nfs/dbraw/zinc/26/25/77/606262577.db2.gz CZAVPJYQHHYQTN-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819865354 606262579 /nfs/dbraw/zinc/26/25/79/606262579.db2.gz CZAVPJYQHHYQTN-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCS1 ZINC000820744364 606269384 /nfs/dbraw/zinc/26/93/84/606269384.db2.gz YGJVDCSZTOOPIY-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCS1 ZINC000820744364 606269386 /nfs/dbraw/zinc/26/93/86/606269386.db2.gz YGJVDCSZTOOPIY-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820536097 606271438 /nfs/dbraw/zinc/27/14/38/606271438.db2.gz RVSCGFVPFUXLAX-LBPRGKRZSA-N -1 3 383.427 3.709 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820536097 606271439 /nfs/dbraw/zinc/27/14/39/606271439.db2.gz RVSCGFVPFUXLAX-LBPRGKRZSA-N -1 3 383.427 3.709 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640303 606296845 /nfs/dbraw/zinc/29/68/45/606296845.db2.gz FUHOSXJGMSNIMT-MGPUTAFESA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640303 606296847 /nfs/dbraw/zinc/29/68/47/606296847.db2.gz FUHOSXJGMSNIMT-MGPUTAFESA-N -1 3 393.491 3.630 20 0 GHADHM CC(C)Cc1noc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000820108902 606307013 /nfs/dbraw/zinc/30/70/13/606307013.db2.gz UCALNRXXBREVSZ-UHFFFAOYSA-N -1 3 392.419 3.820 20 0 GHADHM CC(C)Cc1noc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000820108902 606307015 /nfs/dbraw/zinc/30/70/15/606307015.db2.gz UCALNRXXBREVSZ-UHFFFAOYSA-N -1 3 392.419 3.820 20 0 GHADHM Cc1nc(Cl)sc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822449791 606318557 /nfs/dbraw/zinc/31/85/57/606318557.db2.gz PAOYQZMDXSTMHZ-UHFFFAOYSA-N -1 3 376.873 3.588 20 0 GHADHM Cc1nc(Cl)sc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822449791 606318558 /nfs/dbraw/zinc/31/85/58/606318558.db2.gz PAOYQZMDXSTMHZ-UHFFFAOYSA-N -1 3 376.873 3.588 20 0 GHADHM Cc1nc(Cl)sc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000822449684 606318776 /nfs/dbraw/zinc/31/87/76/606318776.db2.gz JZZHMTRWKHHZKK-UHFFFAOYSA-N -1 3 390.900 3.583 20 0 GHADHM Cc1nc(Cl)sc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000822449684 606318779 /nfs/dbraw/zinc/31/87/79/606318779.db2.gz JZZHMTRWKHHZKK-UHFFFAOYSA-N -1 3 390.900 3.583 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820643764 606342249 /nfs/dbraw/zinc/34/22/49/606342249.db2.gz YXWZTPBIWPVVJX-WFASDCNBSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820643764 606342251 /nfs/dbraw/zinc/34/22/51/606342251.db2.gz YXWZTPBIWPVVJX-WFASDCNBSA-N -1 3 382.855 3.930 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822223854 606343704 /nfs/dbraw/zinc/34/37/04/606343704.db2.gz MLSLDAZZKZNKCZ-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822223854 606343707 /nfs/dbraw/zinc/34/37/07/606343707.db2.gz MLSLDAZZKZNKCZ-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497750 606351294 /nfs/dbraw/zinc/35/12/94/606351294.db2.gz VGOQMUBXWLEXKE-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497750 606351295 /nfs/dbraw/zinc/35/12/95/606351295.db2.gz VGOQMUBXWLEXKE-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM CCCc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000821139270 606351799 /nfs/dbraw/zinc/35/17/99/606351799.db2.gz RWNOCCNQUJDSNW-ZDUSSCGKSA-N -1 3 381.436 3.576 20 0 GHADHM CCCc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000821139270 606351801 /nfs/dbraw/zinc/35/18/01/606351801.db2.gz RWNOCCNQUJDSNW-ZDUSSCGKSA-N -1 3 381.436 3.576 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820637096 606355977 /nfs/dbraw/zinc/35/59/77/606355977.db2.gz WVMMGEINICLVHT-HXUWFJFHSA-N -1 3 380.427 3.591 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820637096 606355979 /nfs/dbraw/zinc/35/59/79/606355979.db2.gz WVMMGEINICLVHT-HXUWFJFHSA-N -1 3 380.427 3.591 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820665206 606356710 /nfs/dbraw/zinc/35/67/10/606356710.db2.gz FBLUGKFVDGGTSC-DGCLKSJQSA-N -1 3 384.390 3.555 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820665206 606356711 /nfs/dbraw/zinc/35/67/11/606356711.db2.gz FBLUGKFVDGGTSC-DGCLKSJQSA-N -1 3 384.390 3.555 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820742427 606357070 /nfs/dbraw/zinc/35/70/70/606357070.db2.gz JUOOKMSVTSOBNW-BBRMVZONSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820742427 606357071 /nfs/dbraw/zinc/35/70/71/606357071.db2.gz JUOOKMSVTSOBNW-BBRMVZONSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccco1 ZINC000819882854 606360576 /nfs/dbraw/zinc/36/05/76/606360576.db2.gz CDFLFENHJSMLLN-ZDUSSCGKSA-N -1 3 376.372 3.961 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccco1 ZINC000819882854 606360577 /nfs/dbraw/zinc/36/05/77/606360577.db2.gz CDFLFENHJSMLLN-ZDUSSCGKSA-N -1 3 376.372 3.961 20 0 GHADHM Cc1ncc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000822467015 606361248 /nfs/dbraw/zinc/36/12/48/606361248.db2.gz GRJDFDPDHDKCJH-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM Cc1ncc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000822467015 606361250 /nfs/dbraw/zinc/36/12/50/606361250.db2.gz GRJDFDPDHDKCJH-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc2ccccc2c1C ZINC000821105031 606362245 /nfs/dbraw/zinc/36/22/45/606362245.db2.gz VZWRYNQLCQINLN-UHFFFAOYSA-N -1 3 386.459 3.776 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc2ccccc2c1C ZINC000821105031 606362247 /nfs/dbraw/zinc/36/22/47/606362247.db2.gz VZWRYNQLCQINLN-UHFFFAOYSA-N -1 3 386.459 3.776 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2ccccc2-c2nnn[n-]2)no1 ZINC000822361718 606363372 /nfs/dbraw/zinc/36/33/72/606363372.db2.gz HKVWLTMZDUOSMW-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2ccccc2-c2nn[n-]n2)no1 ZINC000822361718 606363374 /nfs/dbraw/zinc/36/33/74/606363374.db2.gz HKVWLTMZDUOSMW-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225799 606397349 /nfs/dbraw/zinc/39/73/49/606397349.db2.gz PNDJCIHVAGZDBU-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225799 606397350 /nfs/dbraw/zinc/39/73/50/606397350.db2.gz PNDJCIHVAGZDBU-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM Cc1nc(-c2cccnc2)nc(Sc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822422711 606469241 /nfs/dbraw/zinc/46/92/41/606469241.db2.gz BXBROBCQZTZGEE-UHFFFAOYSA-N -1 3 379.424 3.626 20 0 GHADHM Cc1nc(-c2cccnc2)nc(Sc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822422711 606469242 /nfs/dbraw/zinc/46/92/42/606469242.db2.gz BXBROBCQZTZGEE-UHFFFAOYSA-N -1 3 379.424 3.626 20 0 GHADHM FC(F)(F)[C@@H]1CCC[C@@H](CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000822714141 606472838 /nfs/dbraw/zinc/47/28/38/606472838.db2.gz HGSZASVACIETTB-GHMZBOCLSA-N -1 3 384.431 3.522 20 0 GHADHM FC(F)(F)[C@@H]1CCC[C@@H](CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000822714141 606472839 /nfs/dbraw/zinc/47/28/39/606472839.db2.gz HGSZASVACIETTB-GHMZBOCLSA-N -1 3 384.431 3.522 20 0 GHADHM Cc1ccc(CCC2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000822236278 606485722 /nfs/dbraw/zinc/48/57/22/606485722.db2.gz RXQGOYDSADLJNQ-UHFFFAOYSA-N -1 3 381.505 3.722 20 0 GHADHM Cc1ccc(CCC2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000822236278 606485724 /nfs/dbraw/zinc/48/57/24/606485724.db2.gz RXQGOYDSADLJNQ-UHFFFAOYSA-N -1 3 381.505 3.722 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000823472289 606490112 /nfs/dbraw/zinc/49/01/12/606490112.db2.gz HCZZAKLTALEIQD-SFHVURJKSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000823472289 606490113 /nfs/dbraw/zinc/49/01/13/606490113.db2.gz HCZZAKLTALEIQD-SFHVURJKSA-N -1 3 387.468 3.716 20 0 GHADHM Cc1sc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)nc1-c1ccc(F)cc1 ZINC000822564122 606492274 /nfs/dbraw/zinc/49/22/74/606492274.db2.gz VCMHPOYIQRMHQT-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1sc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)nc1-c1ccc(F)cc1 ZINC000822564122 606492275 /nfs/dbraw/zinc/49/22/75/606492275.db2.gz VCMHPOYIQRMHQT-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000823467108 606496602 /nfs/dbraw/zinc/49/66/02/606496602.db2.gz RSQGNUDMSCQASN-UHFFFAOYSA-N -1 3 385.449 3.976 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000823467108 606496604 /nfs/dbraw/zinc/49/66/04/606496604.db2.gz RSQGNUDMSCQASN-UHFFFAOYSA-N -1 3 385.449 3.976 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1F)c1ccccc1 ZINC000823087353 606506003 /nfs/dbraw/zinc/50/60/03/606506003.db2.gz PLTGAMGLIJQZBD-UHFFFAOYSA-N -1 3 387.418 3.782 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1F)c1ccccc1 ZINC000823087353 606506005 /nfs/dbraw/zinc/50/60/05/606506005.db2.gz PLTGAMGLIJQZBD-UHFFFAOYSA-N -1 3 387.418 3.782 20 0 GHADHM Cc1cscc1C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000822211755 606508905 /nfs/dbraw/zinc/50/89/05/606508905.db2.gz NJKYKXXLZJREIC-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823162084 606513436 /nfs/dbraw/zinc/51/34/36/606513436.db2.gz SRJJGCZFIAWQNL-LLVKDONJSA-N -1 3 380.260 3.652 20 0 GHADHM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823162084 606513437 /nfs/dbraw/zinc/51/34/37/606513437.db2.gz SRJJGCZFIAWQNL-LLVKDONJSA-N -1 3 380.260 3.652 20 0 GHADHM COCCC(C)(C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821685621 606525809 /nfs/dbraw/zinc/52/58/09/606525809.db2.gz LBSKTKJOOYGMLG-UHFFFAOYSA-N -1 3 397.504 3.563 20 0 GHADHM COCCC(C)(C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821685621 606525811 /nfs/dbraw/zinc/52/58/11/606525811.db2.gz LBSKTKJOOYGMLG-UHFFFAOYSA-N -1 3 397.504 3.563 20 0 GHADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076875 606543765 /nfs/dbraw/zinc/54/37/65/606543765.db2.gz VPRYJAFPFQPJQN-MRXNPFEDSA-N -1 3 393.491 3.712 20 0 GHADHM CC(C)CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076875 606543766 /nfs/dbraw/zinc/54/37/66/606543766.db2.gz VPRYJAFPFQPJQN-MRXNPFEDSA-N -1 3 393.491 3.712 20 0 GHADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820015673 606551738 /nfs/dbraw/zinc/55/17/38/606551738.db2.gz FEHJXZMGHXRSCM-QGZVFWFLSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820015673 606551740 /nfs/dbraw/zinc/55/17/40/606551740.db2.gz FEHJXZMGHXRSCM-QGZVFWFLSA-N -1 3 387.846 3.715 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000823093455 606555601 /nfs/dbraw/zinc/55/56/01/606555601.db2.gz YQNCZTBXZNIRON-HSZRJFAPSA-N -1 3 395.466 3.584 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000823093455 606555602 /nfs/dbraw/zinc/55/56/02/606555602.db2.gz YQNCZTBXZNIRON-HSZRJFAPSA-N -1 3 395.466 3.584 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)[C@H]1C ZINC000820717916 606573935 /nfs/dbraw/zinc/57/39/35/606573935.db2.gz YSWZTJYZIPUNPU-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)[C@H]1C ZINC000820717916 606573937 /nfs/dbraw/zinc/57/39/37/606573937.db2.gz YSWZTJYZIPUNPU-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823104422 606576331 /nfs/dbraw/zinc/57/63/31/606576331.db2.gz WJYSMARSKNHEGK-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823104422 606576333 /nfs/dbraw/zinc/57/63/33/606576333.db2.gz WJYSMARSKNHEGK-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821685420 606578382 /nfs/dbraw/zinc/57/83/82/606578382.db2.gz COGQRJJNKLFYHN-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821685420 606578384 /nfs/dbraw/zinc/57/83/84/606578384.db2.gz COGQRJJNKLFYHN-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC(C)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820178180 606595838 /nfs/dbraw/zinc/59/58/38/606595838.db2.gz JQXBQFYEESHNLY-UHFFFAOYSA-N -1 3 375.379 3.867 20 0 GHADHM CC(C)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820178180 606595839 /nfs/dbraw/zinc/59/58/39/606595839.db2.gz JQXBQFYEESHNLY-UHFFFAOYSA-N -1 3 375.379 3.867 20 0 GHADHM Fc1cccc(-c2ccncc2NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822787302 606600605 /nfs/dbraw/zinc/60/06/05/606600605.db2.gz XMRRKLKCSHSWPJ-UHFFFAOYSA-N -1 3 391.435 3.877 20 0 GHADHM Fc1cccc(-c2ccncc2NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822787302 606600606 /nfs/dbraw/zinc/60/06/06/606600606.db2.gz XMRRKLKCSHSWPJ-UHFFFAOYSA-N -1 3 391.435 3.877 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819765058 606601462 /nfs/dbraw/zinc/60/14/62/606601462.db2.gz MQAORHDIIQOWCR-YLGBQOPLSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819765058 606601463 /nfs/dbraw/zinc/60/14/63/606601463.db2.gz MQAORHDIIQOWCR-YLGBQOPLSA-N -1 3 399.401 3.749 20 0 GHADHM CCCCCC(C)(C)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821043678 606605994 /nfs/dbraw/zinc/60/59/94/606605994.db2.gz SHWKFRRVUFNPLL-UHFFFAOYSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCCC(C)(C)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821043678 606605996 /nfs/dbraw/zinc/60/59/96/606605996.db2.gz SHWKFRRVUFNPLL-UHFFFAOYSA-N -1 3 384.528 3.512 20 0 GHADHM C[C@@H](Sc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820555359 606626335 /nfs/dbraw/zinc/62/63/35/606626335.db2.gz JVRMQXAENLZTJE-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820555359 606626337 /nfs/dbraw/zinc/62/63/37/606626337.db2.gz JVRMQXAENLZTJE-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820556153 606626636 /nfs/dbraw/zinc/62/66/36/606626636.db2.gz SAQGURMOWWCKBD-VIFPVBQESA-N -1 3 389.481 3.675 20 0 GHADHM C[C@H](Sc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820556153 606626638 /nfs/dbraw/zinc/62/66/38/606626638.db2.gz SAQGURMOWWCKBD-VIFPVBQESA-N -1 3 389.481 3.675 20 0 GHADHM CCN(C(=O)CCCc1csc(C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153463 606627820 /nfs/dbraw/zinc/62/78/20/606627820.db2.gz CPOSZXHEBIKFJX-CYBMUJFWSA-N -1 3 384.509 3.564 20 0 GHADHM CCN(C(=O)CCCc1csc(C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153463 606627821 /nfs/dbraw/zinc/62/78/21/606627821.db2.gz CPOSZXHEBIKFJX-CYBMUJFWSA-N -1 3 384.509 3.564 20 0 GHADHM O=C(NC1CC1)[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823145248 606630886 /nfs/dbraw/zinc/63/08/86/606630886.db2.gz PGTPYAQOZMJOGS-INIZCTEOSA-N -1 3 385.880 3.632 20 0 GHADHM O=C(NC1CC1)[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823145248 606630889 /nfs/dbraw/zinc/63/08/89/606630889.db2.gz PGTPYAQOZMJOGS-INIZCTEOSA-N -1 3 385.880 3.632 20 0 GHADHM COC(C)(C)c1noc(-c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000821674217 606637730 /nfs/dbraw/zinc/63/77/30/606637730.db2.gz XLWBIJDIPRCKTF-UHFFFAOYSA-N -1 3 394.460 3.949 20 0 GHADHM COC(C)(C)c1noc(-c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000821674217 606637731 /nfs/dbraw/zinc/63/77/31/606637731.db2.gz XLWBIJDIPRCKTF-UHFFFAOYSA-N -1 3 394.460 3.949 20 0 GHADHM CC(C)(C)c1cnc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)o1 ZINC000819966006 606638303 /nfs/dbraw/zinc/63/83/03/606638303.db2.gz SBRVDWXACRGSON-UHFFFAOYSA-N -1 3 391.435 3.952 20 0 GHADHM OCc1cccc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000823726595 606660842 /nfs/dbraw/zinc/66/08/42/606660842.db2.gz CXVPZWCYCRTPFN-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM OCc1cccc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000823726595 606660843 /nfs/dbraw/zinc/66/08/43/606660843.db2.gz CXVPZWCYCRTPFN-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821772746 606663923 /nfs/dbraw/zinc/66/39/23/606663923.db2.gz ODUPSSJSHLQQJX-UHFFFAOYSA-N -1 3 387.390 3.703 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821772746 606663924 /nfs/dbraw/zinc/66/39/24/606663924.db2.gz ODUPSSJSHLQQJX-UHFFFAOYSA-N -1 3 387.390 3.703 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823257631 606666440 /nfs/dbraw/zinc/66/64/40/606666440.db2.gz QTZDVTSMPAXLBG-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823257631 606666441 /nfs/dbraw/zinc/66/64/41/606666441.db2.gz QTZDVTSMPAXLBG-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821417542 606666815 /nfs/dbraw/zinc/66/68/15/606666815.db2.gz OCIOJTQLFZSVHA-QGZVFWFLSA-N -1 3 399.401 3.521 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821417542 606666816 /nfs/dbraw/zinc/66/68/16/606666816.db2.gz OCIOJTQLFZSVHA-QGZVFWFLSA-N -1 3 399.401 3.521 20 0 GHADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2S1 ZINC000820716608 606668211 /nfs/dbraw/zinc/66/82/11/606668211.db2.gz JWBCGNLJYRBOBN-JTQLQIEISA-N -1 3 387.415 3.676 20 0 GHADHM C[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2S1 ZINC000820716608 606668212 /nfs/dbraw/zinc/66/82/12/606668212.db2.gz JWBCGNLJYRBOBN-JTQLQIEISA-N -1 3 387.415 3.676 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000821681765 606671253 /nfs/dbraw/zinc/67/12/53/606671253.db2.gz RCGDLWPNNPSUAI-CQSZACIVSA-N -1 3 397.454 3.520 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000821681765 606671254 /nfs/dbraw/zinc/67/12/54/606671254.db2.gz RCGDLWPNNPSUAI-CQSZACIVSA-N -1 3 397.454 3.520 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(C2CCCCC2)CC1 ZINC000823453909 606671454 /nfs/dbraw/zinc/67/14/54/606671454.db2.gz FHYMCFMOTHGORC-UHFFFAOYSA-N -1 3 375.423 3.577 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(C2CCCCC2)CC1 ZINC000823453909 606671455 /nfs/dbraw/zinc/67/14/55/606671455.db2.gz FHYMCFMOTHGORC-UHFFFAOYSA-N -1 3 375.423 3.577 20 0 GHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323260 606682131 /nfs/dbraw/zinc/68/21/31/606682131.db2.gz IQXHEWGLZJPCFR-UHFFFAOYSA-N -1 3 383.280 3.502 20 0 GHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823323260 606682132 /nfs/dbraw/zinc/68/21/32/606682132.db2.gz IQXHEWGLZJPCFR-UHFFFAOYSA-N -1 3 383.280 3.502 20 0 GHADHM COc1ccc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc12 ZINC000821837924 606683569 /nfs/dbraw/zinc/68/35/69/606683569.db2.gz HWQPWHJMCZGMJE-UHFFFAOYSA-N -1 3 382.326 3.526 20 0 GHADHM COc1ccc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc12 ZINC000821837924 606683570 /nfs/dbraw/zinc/68/35/70/606683570.db2.gz HWQPWHJMCZGMJE-UHFFFAOYSA-N -1 3 382.326 3.526 20 0 GHADHM Cc1c2c(sc1NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCCC2 ZINC000822105515 606684600 /nfs/dbraw/zinc/68/46/00/606684600.db2.gz VDHJOWQXZWJDHC-UHFFFAOYSA-N -1 3 375.404 3.646 20 0 GHADHM Cc1c2c(sc1NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCCC2 ZINC000822105515 606684601 /nfs/dbraw/zinc/68/46/01/606684601.db2.gz VDHJOWQXZWJDHC-UHFFFAOYSA-N -1 3 375.404 3.646 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823421886 606685533 /nfs/dbraw/zinc/68/55/33/606685533.db2.gz JNHJFPOKACTPSA-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823421886 606685534 /nfs/dbraw/zinc/68/55/34/606685534.db2.gz JNHJFPOKACTPSA-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820818889 606691665 /nfs/dbraw/zinc/69/16/65/606691665.db2.gz CDWQNJDGHZURNU-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820818889 606691666 /nfs/dbraw/zinc/69/16/66/606691666.db2.gz CDWQNJDGHZURNU-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2S1 ZINC000820601357 606693412 /nfs/dbraw/zinc/69/34/12/606693412.db2.gz IWTWCHANHRALEW-UHFFFAOYSA-N -1 3 387.415 3.676 20 0 GHADHM CC1(C)CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2S1 ZINC000820601357 606693413 /nfs/dbraw/zinc/69/34/13/606693413.db2.gz IWTWCHANHRALEW-UHFFFAOYSA-N -1 3 387.415 3.676 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820038402 606696142 /nfs/dbraw/zinc/69/61/42/606696142.db2.gz NFMDAWWGCBTKLJ-HNNXBMFYSA-N -1 3 393.451 3.564 20 0 GHADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(C)n1 ZINC000822248581 606698011 /nfs/dbraw/zinc/69/80/11/606698011.db2.gz GWSFIXVCKIVVRN-UHFFFAOYSA-N -1 3 379.468 3.569 20 0 GHADHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c(C)n1 ZINC000822248581 606698013 /nfs/dbraw/zinc/69/80/13/606698013.db2.gz GWSFIXVCKIVVRN-UHFFFAOYSA-N -1 3 379.468 3.569 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(OC[C@H]2CCOC2)c1 ZINC000822238544 606726637 /nfs/dbraw/zinc/72/66/37/606726637.db2.gz LTIIUUXUVHXLTR-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(OC[C@H]2CCOC2)c1 ZINC000822238544 606726639 /nfs/dbraw/zinc/72/66/39/606726639.db2.gz LTIIUUXUVHXLTR-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1Br ZINC000823346093 606737310 /nfs/dbraw/zinc/73/73/10/606737310.db2.gz IDRQERVYJACWQA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1Br ZINC000823346093 606737312 /nfs/dbraw/zinc/73/73/12/606737312.db2.gz IDRQERVYJACWQA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358395 606745280 /nfs/dbraw/zinc/74/52/80/606745280.db2.gz NJBMATKHRYGEPY-CXAGYDPISA-N -1 3 392.463 3.529 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358395 606745281 /nfs/dbraw/zinc/74/52/81/606745281.db2.gz NJBMATKHRYGEPY-CXAGYDPISA-N -1 3 392.463 3.529 20 0 GHADHM CCN(Cc1noc(-c2ccccc2C)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230324 606747142 /nfs/dbraw/zinc/74/71/42/606747142.db2.gz GZLDJFVUIJTNNC-HNNXBMFYSA-N -1 3 389.463 3.808 20 0 GHADHM CCN(Cc1noc(-c2ccccc2C)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230324 606747143 /nfs/dbraw/zinc/74/71/43/606747143.db2.gz GZLDJFVUIJTNNC-HNNXBMFYSA-N -1 3 389.463 3.808 20 0 GHADHM COC(C)(C)c1noc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000821674032 606763523 /nfs/dbraw/zinc/76/35/23/606763523.db2.gz RPXNVIMNYCADBM-UHFFFAOYSA-N -1 3 392.419 3.899 20 0 GHADHM CCOCCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000821374269 606770314 /nfs/dbraw/zinc/77/03/14/606770314.db2.gz SYTHAIZNWYLKBV-UHFFFAOYSA-N -1 3 392.891 3.629 20 0 GHADHM CCOCCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000821374269 606770315 /nfs/dbraw/zinc/77/03/15/606770315.db2.gz SYTHAIZNWYLKBV-UHFFFAOYSA-N -1 3 392.891 3.629 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823350380 606772782 /nfs/dbraw/zinc/77/27/82/606772782.db2.gz KZAUREJFSPIHHS-RDTXWAMCSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823350380 606772784 /nfs/dbraw/zinc/77/27/84/606772784.db2.gz KZAUREJFSPIHHS-RDTXWAMCSA-N -1 3 376.420 3.675 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000822135454 606776229 /nfs/dbraw/zinc/77/62/29/606776229.db2.gz ASEKGAGAMHZVKH-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000822135454 606776230 /nfs/dbraw/zinc/77/62/30/606776230.db2.gz ASEKGAGAMHZVKH-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)s1 ZINC000822395045 606788054 /nfs/dbraw/zinc/78/80/54/606788054.db2.gz QANSNKBIOLGBQS-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CC[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820981694 606790628 /nfs/dbraw/zinc/79/06/28/606790628.db2.gz VUTGXBJNVIJZAF-QGZVFWFLSA-N -1 3 377.448 3.982 20 0 GHADHM CC[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820981694 606790629 /nfs/dbraw/zinc/79/06/29/606790629.db2.gz VUTGXBJNVIJZAF-QGZVFWFLSA-N -1 3 377.448 3.982 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)O1 ZINC000820971748 606795888 /nfs/dbraw/zinc/79/58/88/606795888.db2.gz FOBVZXFLBSDUME-SCLBCKFNSA-N -1 3 397.410 3.694 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)O1 ZINC000820971748 606795890 /nfs/dbraw/zinc/79/58/90/606795890.db2.gz FOBVZXFLBSDUME-SCLBCKFNSA-N -1 3 397.410 3.694 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819781709 606828918 /nfs/dbraw/zinc/82/89/18/606828918.db2.gz DIOMQEVUPXKPFC-UHFFFAOYSA-N -1 3 394.431 3.884 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819781709 606828919 /nfs/dbraw/zinc/82/89/19/606828919.db2.gz DIOMQEVUPXKPFC-UHFFFAOYSA-N -1 3 394.431 3.884 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000822220129 606829032 /nfs/dbraw/zinc/82/90/32/606829032.db2.gz FDOCQOIPWBSDDN-QGZVFWFLSA-N -1 3 384.509 3.552 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000822220129 606829033 /nfs/dbraw/zinc/82/90/33/606829033.db2.gz FDOCQOIPWBSDDN-QGZVFWFLSA-N -1 3 384.509 3.552 20 0 GHADHM Cc1sc2nc(C)nc(SC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)c2c1C ZINC000822453506 606846665 /nfs/dbraw/zinc/84/66/65/606846665.db2.gz KGYMTJASRVQYDF-AWEZNQCLSA-N -1 3 398.517 3.622 20 0 GHADHM Cc1sc2nc(C)nc(SC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)c2c1C ZINC000822453506 606846666 /nfs/dbraw/zinc/84/66/66/606846666.db2.gz KGYMTJASRVQYDF-AWEZNQCLSA-N -1 3 398.517 3.622 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000820548617 606850868 /nfs/dbraw/zinc/85/08/68/606850868.db2.gz DDTPPRUMLSDCGS-GFCCVEGCSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000820548617 606850870 /nfs/dbraw/zinc/85/08/70/606850870.db2.gz DDTPPRUMLSDCGS-GFCCVEGCSA-N -1 3 399.907 3.586 20 0 GHADHM COc1cc(C)ccc1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821707921 606871488 /nfs/dbraw/zinc/87/14/88/606871488.db2.gz HVGXVNDRRICRPY-UHFFFAOYSA-N -1 3 399.454 3.781 20 0 GHADHM COc1cc(C)ccc1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821707921 606871490 /nfs/dbraw/zinc/87/14/90/606871490.db2.gz HVGXVNDRRICRPY-UHFFFAOYSA-N -1 3 399.454 3.781 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821040756 606872914 /nfs/dbraw/zinc/87/29/14/606872914.db2.gz QXHSPEQJMBAQAK-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821040756 606872916 /nfs/dbraw/zinc/87/29/16/606872916.db2.gz QXHSPEQJMBAQAK-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM O[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cc2ccccc2s1 ZINC000823690990 606878684 /nfs/dbraw/zinc/87/86/84/606878684.db2.gz ZNEBFFYIGGZWIG-INIZCTEOSA-N -1 3 388.456 3.775 20 0 GHADHM O[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cc2ccccc2s1 ZINC000823690990 606878685 /nfs/dbraw/zinc/87/86/85/606878685.db2.gz ZNEBFFYIGGZWIG-INIZCTEOSA-N -1 3 388.456 3.775 20 0 GHADHM COC1CCC(OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000821680045 606897420 /nfs/dbraw/zinc/89/74/20/606897420.db2.gz XNAUPVJFXIDJOV-UHFFFAOYSA-N -1 3 378.432 3.648 20 0 GHADHM COC1CCC(OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000821680045 606897422 /nfs/dbraw/zinc/89/74/22/606897422.db2.gz XNAUPVJFXIDJOV-UHFFFAOYSA-N -1 3 378.432 3.648 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000823690579 606921549 /nfs/dbraw/zinc/92/15/49/606921549.db2.gz PRAZIVZGOHRKPU-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000823690579 606921550 /nfs/dbraw/zinc/92/15/50/606921550.db2.gz PRAZIVZGOHRKPU-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM CCc1nnc(NCc2cccc(COC(C)(C)C)c2)c(-c2nnn[n-]2)c1CC ZINC000821542681 606929558 /nfs/dbraw/zinc/92/95/58/606929558.db2.gz XAKOUBOGMHMDNS-UHFFFAOYSA-N -1 3 395.511 3.709 20 0 GHADHM CCc1nnc(NCc2cccc(COC(C)(C)C)c2)c(-c2nn[n-]n2)c1CC ZINC000821542681 606929559 /nfs/dbraw/zinc/92/95/59/606929559.db2.gz XAKOUBOGMHMDNS-UHFFFAOYSA-N -1 3 395.511 3.709 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821471011 606936628 /nfs/dbraw/zinc/93/66/28/606936628.db2.gz UTJMBXJVAUGTTR-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821471011 606936630 /nfs/dbraw/zinc/93/66/30/606936630.db2.gz UTJMBXJVAUGTTR-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821471004 606936971 /nfs/dbraw/zinc/93/69/71/606936971.db2.gz UMQOKEDCPZPUSD-JXMROGBWSA-N -1 3 398.264 3.844 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821471004 606936973 /nfs/dbraw/zinc/93/69/73/606936973.db2.gz UMQOKEDCPZPUSD-JXMROGBWSA-N -1 3 398.264 3.844 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820051100 606952837 /nfs/dbraw/zinc/95/28/37/606952837.db2.gz LDTGSBDGDLUTJV-SFHVURJKSA-N -1 3 380.427 3.793 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820051100 606952838 /nfs/dbraw/zinc/95/28/38/606952838.db2.gz LDTGSBDGDLUTJV-SFHVURJKSA-N -1 3 380.427 3.793 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821672256 606953018 /nfs/dbraw/zinc/95/30/18/606953018.db2.gz DQSPMWGINGTWMR-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821672256 606953020 /nfs/dbraw/zinc/95/30/20/606953020.db2.gz DQSPMWGINGTWMR-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM CN(C(=O)CCCOCCc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569281 606959080 /nfs/dbraw/zinc/95/90/80/606959080.db2.gz DLMFESXZGOVXHH-UHFFFAOYSA-N -1 3 399.882 3.522 20 0 GHADHM CN(C(=O)CCCOCCc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569281 606959082 /nfs/dbraw/zinc/95/90/82/606959082.db2.gz DLMFESXZGOVXHH-UHFFFAOYSA-N -1 3 399.882 3.522 20 0 GHADHM CN(C(=O)Cc1coc2cc(F)ccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571923 606960769 /nfs/dbraw/zinc/96/07/69/606960769.db2.gz KYVJFIRWYWFXGU-UHFFFAOYSA-N -1 3 385.786 3.611 20 0 GHADHM CN(C(=O)Cc1coc2cc(F)ccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571923 606960770 /nfs/dbraw/zinc/96/07/70/606960770.db2.gz KYVJFIRWYWFXGU-UHFFFAOYSA-N -1 3 385.786 3.611 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569483 606960949 /nfs/dbraw/zinc/96/09/49/606960949.db2.gz LSNCEHWVZQMQOP-QWHCGFSZSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569483 606960951 /nfs/dbraw/zinc/96/09/51/606960951.db2.gz LSNCEHWVZQMQOP-QWHCGFSZSA-N -1 3 389.793 3.565 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000821446856 606988693 /nfs/dbraw/zinc/98/86/93/606988693.db2.gz DSQUNJCJLIGULA-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000821446856 606988695 /nfs/dbraw/zinc/98/86/95/606988695.db2.gz DSQUNJCJLIGULA-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822332296 607005433 /nfs/dbraw/zinc/00/54/33/607005433.db2.gz MYEHBPOSMWOMIX-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)o2)c1 ZINC000822332296 607005434 /nfs/dbraw/zinc/00/54/34/607005434.db2.gz MYEHBPOSMWOMIX-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1sc2nc([C@H](C)Sc3cccc(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000822563427 607013794 /nfs/dbraw/zinc/01/37/94/607013794.db2.gz IPSKPDGELORGBY-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc([C@H](C)Sc3cccc(-c4nn[n-]n4)c3)nc(N)c2c1C ZINC000822563427 607013795 /nfs/dbraw/zinc/01/37/95/607013795.db2.gz IPSKPDGELORGBY-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM COc1ccc(C2=NC[C@H](CSc3cccc(-c4nnn[n-]4)c3)S2)cc1 ZINC000821782729 607013853 /nfs/dbraw/zinc/01/38/53/607013853.db2.gz LXGCQWMTPDBWCA-MRXNPFEDSA-N -1 3 383.502 3.530 20 0 GHADHM COc1ccc(C2=NC[C@H](CSc3cccc(-c4nn[n-]n4)c3)S2)cc1 ZINC000821782729 607013855 /nfs/dbraw/zinc/01/38/55/607013855.db2.gz LXGCQWMTPDBWCA-MRXNPFEDSA-N -1 3 383.502 3.530 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820219467 607017927 /nfs/dbraw/zinc/01/79/27/607017927.db2.gz GXIUEIKCIWHNPG-KRWDZBQOSA-N -1 3 398.470 3.989 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820219467 607017930 /nfs/dbraw/zinc/01/79/30/607017930.db2.gz GXIUEIKCIWHNPG-KRWDZBQOSA-N -1 3 398.470 3.989 20 0 GHADHM CSCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821970678 607021252 /nfs/dbraw/zinc/02/12/52/607021252.db2.gz QNHXPRSETDYIQS-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CSCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821970678 607021253 /nfs/dbraw/zinc/02/12/53/607021253.db2.gz QNHXPRSETDYIQS-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CSCCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821970386 607021428 /nfs/dbraw/zinc/02/14/28/607021428.db2.gz NCXYXOCKVYRTNM-UHFFFAOYSA-N -1 3 397.504 3.568 20 0 GHADHM CSCCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821970386 607021429 /nfs/dbraw/zinc/02/14/29/607021429.db2.gz NCXYXOCKVYRTNM-UHFFFAOYSA-N -1 3 397.504 3.568 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822420065 607028281 /nfs/dbraw/zinc/02/82/81/607028281.db2.gz ZWHAIJVENCGKDW-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822420065 607028282 /nfs/dbraw/zinc/02/82/82/607028282.db2.gz ZWHAIJVENCGKDW-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823373035 607076648 /nfs/dbraw/zinc/07/66/48/607076648.db2.gz PFLWPGDOQUYMGQ-UHFFFAOYSA-N -1 3 382.330 3.518 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823373035 607076652 /nfs/dbraw/zinc/07/66/52/607076652.db2.gz PFLWPGDOQUYMGQ-UHFFFAOYSA-N -1 3 382.330 3.518 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419932 607083328 /nfs/dbraw/zinc/08/33/28/607083328.db2.gz XJDIQSZZIXSWAQ-CQSZACIVSA-N -1 3 386.415 3.550 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419932 607083330 /nfs/dbraw/zinc/08/33/30/607083330.db2.gz XJDIQSZZIXSWAQ-CQSZACIVSA-N -1 3 386.415 3.550 20 0 GHADHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000820635245 607115477 /nfs/dbraw/zinc/11/54/77/607115477.db2.gz LASGKOZZGVQEDY-GOSISDBHSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000820635245 607115478 /nfs/dbraw/zinc/11/54/78/607115478.db2.gz LASGKOZZGVQEDY-GOSISDBHSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820481757 607118113 /nfs/dbraw/zinc/11/81/13/607118113.db2.gz ZYAKMFAZEWIVDV-LBPRGKRZSA-N -1 3 399.451 3.614 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820481757 607118114 /nfs/dbraw/zinc/11/81/14/607118114.db2.gz ZYAKMFAZEWIVDV-LBPRGKRZSA-N -1 3 399.451 3.614 20 0 GHADHM O=C([C@@H]1CC12CCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822916752 607121386 /nfs/dbraw/zinc/12/13/86/607121386.db2.gz CCHGNVOWFJSEEY-IBGZPJMESA-N -1 3 391.450 3.725 20 0 GHADHM O=C([C@@H]1CC12CCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822916752 607121387 /nfs/dbraw/zinc/12/13/87/607121387.db2.gz CCHGNVOWFJSEEY-IBGZPJMESA-N -1 3 391.450 3.725 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccccc3-c3nnn[n-]3)n2)cc1F ZINC000822761525 607133648 /nfs/dbraw/zinc/13/36/48/607133648.db2.gz OGFVHDGZQFJGOI-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccccc3-c3nn[n-]n3)n2)cc1F ZINC000822761525 607133650 /nfs/dbraw/zinc/13/36/50/607133650.db2.gz OGFVHDGZQFJGOI-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1CC12CCC2 ZINC000823383508 607144573 /nfs/dbraw/zinc/14/45/73/607144573.db2.gz STRAVQNIIJEECG-CYBMUJFWSA-N -1 3 377.473 3.823 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1CC12CCC2 ZINC000823383508 607144575 /nfs/dbraw/zinc/14/45/75/607144575.db2.gz STRAVQNIIJEECG-CYBMUJFWSA-N -1 3 377.473 3.823 20 0 GHADHM CCc1oc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cc1C ZINC000821559097 607154807 /nfs/dbraw/zinc/15/48/07/607154807.db2.gz TUJNYWFHGCDXTM-UHFFFAOYSA-N -1 3 377.404 3.771 20 0 GHADHM CCc1oc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)cc1C ZINC000821559097 607154808 /nfs/dbraw/zinc/15/48/08/607154808.db2.gz TUJNYWFHGCDXTM-UHFFFAOYSA-N -1 3 377.404 3.771 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821015369 607164531 /nfs/dbraw/zinc/16/45/31/607164531.db2.gz PMKDLRZPTMFYKT-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821015369 607164532 /nfs/dbraw/zinc/16/45/32/607164532.db2.gz PMKDLRZPTMFYKT-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820633737 607168504 /nfs/dbraw/zinc/16/85/04/607168504.db2.gz DGXTYHZWCMKNIQ-UHFFFAOYSA-N -1 3 389.503 3.816 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820633737 607168506 /nfs/dbraw/zinc/16/85/06/607168506.db2.gz DGXTYHZWCMKNIQ-UHFFFAOYSA-N -1 3 389.503 3.816 20 0 GHADHM O=C(CCCOc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958896 607189642 /nfs/dbraw/zinc/18/96/42/607189642.db2.gz MGGXRPPTBAMROX-UHFFFAOYSA-N -1 3 393.781 3.596 20 0 GHADHM O=C(CCCOc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958896 607189643 /nfs/dbraw/zinc/18/96/43/607189643.db2.gz MGGXRPPTBAMROX-UHFFFAOYSA-N -1 3 393.781 3.596 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820073909 607193878 /nfs/dbraw/zinc/19/38/78/607193878.db2.gz WTWLPBWWUWFNDD-ZDUSSCGKSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820073909 607193879 /nfs/dbraw/zinc/19/38/79/607193879.db2.gz WTWLPBWWUWFNDD-ZDUSSCGKSA-N -1 3 394.426 3.901 20 0 GHADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820636532 607196429 /nfs/dbraw/zinc/19/64/29/607196429.db2.gz TWGPCLCMRRTQFT-LJQANCHMSA-N -1 3 382.855 3.716 20 0 GHADHM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820636532 607196430 /nfs/dbraw/zinc/19/64/30/607196430.db2.gz TWGPCLCMRRTQFT-LJQANCHMSA-N -1 3 382.855 3.716 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820155044 607196886 /nfs/dbraw/zinc/19/68/86/607196886.db2.gz IPSPNLNCFALKNJ-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820155044 607196887 /nfs/dbraw/zinc/19/68/87/607196887.db2.gz IPSPNLNCFALKNJ-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822427828 607198449 /nfs/dbraw/zinc/19/84/49/607198449.db2.gz WKDINQNWFHFRQT-SECBINFHSA-N -1 3 391.888 3.818 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822427828 607198450 /nfs/dbraw/zinc/19/84/50/607198450.db2.gz WKDINQNWFHFRQT-SECBINFHSA-N -1 3 391.888 3.818 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820667874 607199187 /nfs/dbraw/zinc/19/91/87/607199187.db2.gz OOKBXNUPZKOIIL-SWLSCSKDSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820667874 607199188 /nfs/dbraw/zinc/19/91/88/607199188.db2.gz OOKBXNUPZKOIIL-SWLSCSKDSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820667873 607199208 /nfs/dbraw/zinc/19/92/08/607199208.db2.gz OOKBXNUPZKOIIL-IUODEOHRSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820667873 607199209 /nfs/dbraw/zinc/19/92/09/607199209.db2.gz OOKBXNUPZKOIIL-IUODEOHRSA-N -1 3 382.855 3.930 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821492690 607200127 /nfs/dbraw/zinc/20/01/27/607200127.db2.gz SXJIAGSCAAKCSS-HNNXBMFYSA-N -1 3 398.854 3.728 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821492690 607200128 /nfs/dbraw/zinc/20/01/28/607200128.db2.gz SXJIAGSCAAKCSS-HNNXBMFYSA-N -1 3 398.854 3.728 20 0 GHADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821430873 607202318 /nfs/dbraw/zinc/20/23/18/607202318.db2.gz HJPYISPCYQHEME-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821430873 607202319 /nfs/dbraw/zinc/20/23/19/607202319.db2.gz HJPYISPCYQHEME-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1OC ZINC000820919472 607202494 /nfs/dbraw/zinc/20/24/94/607202494.db2.gz CNBAUUVWZNGVFF-AWEZNQCLSA-N -1 3 386.843 3.802 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1OC ZINC000820919472 607202495 /nfs/dbraw/zinc/20/24/95/607202495.db2.gz CNBAUUVWZNGVFF-AWEZNQCLSA-N -1 3 386.843 3.802 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823313655 607203911 /nfs/dbraw/zinc/20/39/11/607203911.db2.gz GYTFMQZDDIHHEL-OAHLLOKOSA-N -1 3 397.870 3.629 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823313655 607203912 /nfs/dbraw/zinc/20/39/12/607203912.db2.gz GYTFMQZDDIHHEL-OAHLLOKOSA-N -1 3 397.870 3.629 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000823319632 607241922 /nfs/dbraw/zinc/24/19/22/607241922.db2.gz WMCPTWCTDRLZAX-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000823319632 607241923 /nfs/dbraw/zinc/24/19/23/607241923.db2.gz WMCPTWCTDRLZAX-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Oc2ccccc2)nc1 ZINC000823319657 607242793 /nfs/dbraw/zinc/24/27/93/607242793.db2.gz XBYVDEFRWNBTPA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Oc2ccccc2)nc1 ZINC000823319657 607242794 /nfs/dbraw/zinc/24/27/94/607242794.db2.gz XBYVDEFRWNBTPA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820556158 607244328 /nfs/dbraw/zinc/24/43/28/607244328.db2.gz SDDDYMKAGAQBBC-SECBINFHSA-N -1 3 378.816 3.745 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820556158 607244329 /nfs/dbraw/zinc/24/43/29/607244329.db2.gz SDDDYMKAGAQBBC-SECBINFHSA-N -1 3 378.816 3.745 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c2)cc1 ZINC000822213820 607248163 /nfs/dbraw/zinc/24/81/63/607248163.db2.gz BWABZUPBJNTDCF-UHFFFAOYSA-N -1 3 375.363 3.595 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c2)cc1 ZINC000822213820 607248164 /nfs/dbraw/zinc/24/81/64/607248164.db2.gz BWABZUPBJNTDCF-UHFFFAOYSA-N -1 3 375.363 3.595 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820536781 607250052 /nfs/dbraw/zinc/25/00/52/607250052.db2.gz XPPWBXRPDCTUKH-QMMMGPOBSA-N -1 3 397.193 3.686 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820536781 607250053 /nfs/dbraw/zinc/25/00/53/607250053.db2.gz XPPWBXRPDCTUKH-QMMMGPOBSA-N -1 3 397.193 3.686 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000825545844 607784096 /nfs/dbraw/zinc/78/40/96/607784096.db2.gz YBKBJGXGLSRFSP-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000825545844 607784097 /nfs/dbraw/zinc/78/40/97/607784097.db2.gz YBKBJGXGLSRFSP-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824731509 607789645 /nfs/dbraw/zinc/78/96/45/607789645.db2.gz WLOHPVAWMGMJRA-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824731509 607789646 /nfs/dbraw/zinc/78/96/46/607789646.db2.gz WLOHPVAWMGMJRA-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC1(C)C ZINC000826268741 607794197 /nfs/dbraw/zinc/79/41/97/607794197.db2.gz LIZFGLQFKXFGNZ-QGZVFWFLSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC1(C)C ZINC000826268741 607794198 /nfs/dbraw/zinc/79/41/98/607794198.db2.gz LIZFGLQFKXFGNZ-QGZVFWFLSA-N -1 3 379.439 3.894 20 0 GHADHM Clc1ccccc1OC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826353810 607820396 /nfs/dbraw/zinc/82/03/96/607820396.db2.gz FAXQCAJXBWFHNU-UHFFFAOYSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccccc1OC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826353810 607820397 /nfs/dbraw/zinc/82/03/97/607820397.db2.gz FAXQCAJXBWFHNU-UHFFFAOYSA-N -1 3 391.262 3.616 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)Cc2ccccc2Cl)s1 ZINC000825693696 607826959 /nfs/dbraw/zinc/82/69/59/607826959.db2.gz ALBRRTFOUMAYMU-JTQLQIEISA-N -1 3 375.885 3.961 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)Cc2ccccc2Cl)s1 ZINC000825693696 607826960 /nfs/dbraw/zinc/82/69/60/607826960.db2.gz ALBRRTFOUMAYMU-JTQLQIEISA-N -1 3 375.885 3.961 20 0 GHADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)o1 ZINC000826286593 607827381 /nfs/dbraw/zinc/82/73/81/607827381.db2.gz ILZIBAXZQFVUGE-UHFFFAOYSA-N -1 3 391.456 3.776 20 0 GHADHM Cc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)o1 ZINC000826286593 607827382 /nfs/dbraw/zinc/82/73/82/607827382.db2.gz ILZIBAXZQFVUGE-UHFFFAOYSA-N -1 3 391.456 3.776 20 0 GHADHM C[C@@H]1CSc2ccccc2N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825015030 607830502 /nfs/dbraw/zinc/83/05/02/607830502.db2.gz ZADYEAIAGGQODK-ZDUSSCGKSA-N -1 3 397.529 3.734 20 0 GHADHM C[C@@H]1CSc2ccccc2N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825015030 607830503 /nfs/dbraw/zinc/83/05/03/607830503.db2.gz ZADYEAIAGGQODK-ZDUSSCGKSA-N -1 3 397.529 3.734 20 0 GHADHM COc1ccc(CCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826192096 607837084 /nfs/dbraw/zinc/83/70/84/607837084.db2.gz ZRGMHVUKHONXCS-CQSZACIVSA-N -1 3 396.447 3.511 20 0 GHADHM COc1ccc(CCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826192096 607837085 /nfs/dbraw/zinc/83/70/85/607837085.db2.gz ZRGMHVUKHONXCS-CQSZACIVSA-N -1 3 396.447 3.511 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cccnc1Cl ZINC000824754127 607843705 /nfs/dbraw/zinc/84/37/05/607843705.db2.gz IAPYAQJBMUTBHL-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cccnc1Cl ZINC000824754127 607843706 /nfs/dbraw/zinc/84/37/06/607843706.db2.gz IAPYAQJBMUTBHL-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000826504557 607872990 /nfs/dbraw/zinc/87/29/90/607872990.db2.gz YTNVIXLWKAYQHO-ZDUSSCGKSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000826504557 607872991 /nfs/dbraw/zinc/87/29/91/607872991.db2.gz YTNVIXLWKAYQHO-ZDUSSCGKSA-N -1 3 398.772 3.521 20 0 GHADHM CCN(C(=O)CCc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371726 607878700 /nfs/dbraw/zinc/87/87/00/607878700.db2.gz JBHIHMYRHOLWLS-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCN(C(=O)CCc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371726 607878701 /nfs/dbraw/zinc/87/87/01/607878701.db2.gz JBHIHMYRHOLWLS-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCN(C(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385484 607879022 /nfs/dbraw/zinc/87/90/22/607879022.db2.gz HKIUAKJMCUKSEW-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM CCN(C(=O)c1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385484 607879023 /nfs/dbraw/zinc/87/90/23/607879023.db2.gz HKIUAKJMCUKSEW-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826323942 607893323 /nfs/dbraw/zinc/89/33/23/607893323.db2.gz YNXLPIIZAJLLRB-LBPRGKRZSA-N -1 3 385.497 3.980 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826323942 607893324 /nfs/dbraw/zinc/89/33/24/607893324.db2.gz YNXLPIIZAJLLRB-LBPRGKRZSA-N -1 3 385.497 3.980 20 0 GHADHM Clc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826350693 607905599 /nfs/dbraw/zinc/90/55/99/607905599.db2.gz HFNFTWLVXIVFIH-CQSZACIVSA-N -1 3 379.855 3.539 20 0 GHADHM Clc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826350693 607905600 /nfs/dbraw/zinc/90/56/00/607905600.db2.gz HFNFTWLVXIVFIH-CQSZACIVSA-N -1 3 379.855 3.539 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824456892 607909057 /nfs/dbraw/zinc/90/90/57/607909057.db2.gz AAEOKSSNLDZUGK-ZDUSSCGKSA-N -1 3 381.867 3.504 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824456892 607909058 /nfs/dbraw/zinc/90/90/58/607909058.db2.gz AAEOKSSNLDZUGK-ZDUSSCGKSA-N -1 3 381.867 3.504 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826243865 607913180 /nfs/dbraw/zinc/91/31/80/607913180.db2.gz YMBSTGGTXBVAIL-ZDUSSCGKSA-N -1 3 384.509 3.897 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826243865 607913181 /nfs/dbraw/zinc/91/31/81/607913181.db2.gz YMBSTGGTXBVAIL-ZDUSSCGKSA-N -1 3 384.509 3.897 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCSC1 ZINC000825820492 607917429 /nfs/dbraw/zinc/91/74/29/607917429.db2.gz HVXMPJXOSXQTFX-HNNXBMFYSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCSC1 ZINC000825820492 607917430 /nfs/dbraw/zinc/91/74/30/607917430.db2.gz HVXMPJXOSXQTFX-HNNXBMFYSA-N -1 3 396.476 3.628 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273678 607967691 /nfs/dbraw/zinc/96/76/91/607967691.db2.gz PDXPTGZIDXOZNX-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273678 607967692 /nfs/dbraw/zinc/96/76/92/607967692.db2.gz PDXPTGZIDXOZNX-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1CCC(F)(F)F ZINC000825971376 607970668 /nfs/dbraw/zinc/97/06/68/607970668.db2.gz DNYGPAULDHGHRX-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1CCC(F)(F)F ZINC000825971376 607970669 /nfs/dbraw/zinc/97/06/69/607970669.db2.gz DNYGPAULDHGHRX-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM COc1ccc(CSCC(=O)N(c2ccccc2)C(C)C)cc1-c1nnn[n-]1 ZINC000826207280 607983553 /nfs/dbraw/zinc/98/35/53/607983553.db2.gz HYHWMQOYPANOMK-UHFFFAOYSA-N -1 3 397.504 3.550 20 0 GHADHM COc1ccc(CSCC(=O)N(c2ccccc2)C(C)C)cc1-c1nn[n-]n1 ZINC000826207280 607983554 /nfs/dbraw/zinc/98/35/54/607983554.db2.gz HYHWMQOYPANOMK-UHFFFAOYSA-N -1 3 397.504 3.550 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(CC(C)C)c2C(F)F)s1 ZINC000825694392 608003776 /nfs/dbraw/zinc/00/37/76/608003776.db2.gz PFNPBMMXJQPZLS-UHFFFAOYSA-N -1 3 395.439 3.533 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(CC(C)C)c2C(F)F)s1 ZINC000825694392 608003777 /nfs/dbraw/zinc/00/37/77/608003777.db2.gz PFNPBMMXJQPZLS-UHFFFAOYSA-N -1 3 395.439 3.533 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1CCC(F)(F)F ZINC000826186255 608004094 /nfs/dbraw/zinc/00/40/94/608004094.db2.gz KYTLAXRPAHJOQO-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1CCC(F)(F)F ZINC000826186255 608004095 /nfs/dbraw/zinc/00/40/95/608004095.db2.gz KYTLAXRPAHJOQO-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC12CCCCC2 ZINC000824319158 608005881 /nfs/dbraw/zinc/00/58/81/608005881.db2.gz HTDXSNWQNBOVLR-UHFFFAOYSA-N -1 3 384.484 3.985 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC12CCCCC2 ZINC000824319158 608005882 /nfs/dbraw/zinc/00/58/82/608005882.db2.gz HTDXSNWQNBOVLR-UHFFFAOYSA-N -1 3 384.484 3.985 20 0 GHADHM Cc1cc(-c2nnc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)o2)c(C)o1 ZINC000826243125 608033127 /nfs/dbraw/zinc/03/31/27/608033127.db2.gz VJYAYHMXTDPJEU-UHFFFAOYSA-N -1 3 393.451 3.537 20 0 GHADHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826297746 608051497 /nfs/dbraw/zinc/05/14/97/608051497.db2.gz QRISKYZHTYYDFM-MRXNPFEDSA-N -1 3 385.269 3.674 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082821 608102578 /nfs/dbraw/zinc/10/25/78/608102578.db2.gz WBEKUZIOKCINMO-OCHBPSSRSA-N -1 3 377.452 3.564 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082821 608102579 /nfs/dbraw/zinc/10/25/79/608102579.db2.gz WBEKUZIOKCINMO-OCHBPSSRSA-N -1 3 377.452 3.564 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081854 608105740 /nfs/dbraw/zinc/10/57/40/608105740.db2.gz NXBCAHINNIJHBA-OLZOCXBDSA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081854 608105741 /nfs/dbraw/zinc/10/57/41/608105741.db2.gz NXBCAHINNIJHBA-OLZOCXBDSA-N -1 3 394.483 3.794 20 0 GHADHM COc1ccc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1Cl ZINC000826206797 608110130 /nfs/dbraw/zinc/11/01/30/608110130.db2.gz LRHVGVLYRVKEMZ-UHFFFAOYSA-N -1 3 381.219 3.770 20 0 GHADHM COc1ccc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1Cl ZINC000826206797 608110131 /nfs/dbraw/zinc/11/01/31/608110131.db2.gz LRHVGVLYRVKEMZ-UHFFFAOYSA-N -1 3 381.219 3.770 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824077465 608131062 /nfs/dbraw/zinc/13/10/62/608131062.db2.gz BMGAAVIXGIQEII-HNNXBMFYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)CN(C(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255748 608149483 /nfs/dbraw/zinc/14/94/83/608149483.db2.gz WGFIEBULRAFNOE-UHFFFAOYSA-N -1 3 390.369 3.583 20 0 GHADHM CC(C)CN(C(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255748 608149484 /nfs/dbraw/zinc/14/94/84/608149484.db2.gz WGFIEBULRAFNOE-UHFFFAOYSA-N -1 3 390.369 3.583 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520698 608168791 /nfs/dbraw/zinc/16/87/91/608168791.db2.gz BRRPARLSOIFRDH-AWEZNQCLSA-N -1 3 388.431 3.563 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520698 608168792 /nfs/dbraw/zinc/16/87/92/608168792.db2.gz BRRPARLSOIFRDH-AWEZNQCLSA-N -1 3 388.431 3.563 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C(C)C)cc1 ZINC000825793241 608176379 /nfs/dbraw/zinc/17/63/79/608176379.db2.gz PLGJEESQFHCSJF-UHFFFAOYSA-N -1 3 375.436 3.612 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C(C)C)cc1 ZINC000825793241 608176380 /nfs/dbraw/zinc/17/63/80/608176380.db2.gz PLGJEESQFHCSJF-UHFFFAOYSA-N -1 3 375.436 3.612 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000824757163 608206003 /nfs/dbraw/zinc/20/60/03/608206003.db2.gz TTWRFUWMRDTKKD-MDZLAQPJSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000824757163 608206004 /nfs/dbraw/zinc/20/60/04/608206004.db2.gz TTWRFUWMRDTKKD-MDZLAQPJSA-N -1 3 379.917 3.696 20 0 GHADHM COc1ccc(OC)c([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826211260 608222071 /nfs/dbraw/zinc/22/20/71/608222071.db2.gz VXIKLGJTPSNJPR-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc(OC)c([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826211260 608222073 /nfs/dbraw/zinc/22/20/73/608222073.db2.gz VXIKLGJTPSNJPR-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM Cc1c(NC(=O)c2ccnc(OC3CCCCC3)c2)cccc1-c1nnn[n-]1 ZINC000826242486 608241906 /nfs/dbraw/zinc/24/19/06/608241906.db2.gz RBFVSWTWHXOKDU-UHFFFAOYSA-N -1 3 378.436 3.534 20 0 GHADHM Cc1c(NC(=O)c2ccnc(OC3CCCCC3)c2)cccc1-c1nn[n-]n1 ZINC000826242486 608241907 /nfs/dbraw/zinc/24/19/07/608241907.db2.gz RBFVSWTWHXOKDU-UHFFFAOYSA-N -1 3 378.436 3.534 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000824324321 608244383 /nfs/dbraw/zinc/24/43/83/608244383.db2.gz KXJIFHSSXZATGM-LJQANCHMSA-N -1 3 377.448 3.786 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000824324321 608244384 /nfs/dbraw/zinc/24/43/84/608244384.db2.gz KXJIFHSSXZATGM-LJQANCHMSA-N -1 3 377.448 3.786 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825194967 608246603 /nfs/dbraw/zinc/24/66/03/608246603.db2.gz TYLGJFXDPCOZMZ-KXBFYZLASA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825194967 608246605 /nfs/dbraw/zinc/24/66/05/608246605.db2.gz TYLGJFXDPCOZMZ-KXBFYZLASA-N -1 3 391.475 3.849 20 0 GHADHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1sccc1-c1nnn[n-]1 ZINC000826455707 608259746 /nfs/dbraw/zinc/25/97/46/608259746.db2.gz AHQXWZPSSLRSJO-UHFFFAOYSA-N -1 3 389.440 3.782 20 0 GHADHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1sccc1-c1nn[n-]n1 ZINC000826455707 608259747 /nfs/dbraw/zinc/25/97/47/608259747.db2.gz AHQXWZPSSLRSJO-UHFFFAOYSA-N -1 3 389.440 3.782 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824925796 608266389 /nfs/dbraw/zinc/26/63/89/608266389.db2.gz HEMVSRKZYMEOJN-QFBILLFUSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824925796 608266391 /nfs/dbraw/zinc/26/63/91/608266391.db2.gz HEMVSRKZYMEOJN-QFBILLFUSA-N -1 3 385.512 3.639 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 ZINC000826173713 608266890 /nfs/dbraw/zinc/26/68/90/608266890.db2.gz QYEKCGBVNICPIY-BLLLJJGKSA-N -1 3 399.524 3.819 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 ZINC000826173713 608266892 /nfs/dbraw/zinc/26/68/92/608266892.db2.gz QYEKCGBVNICPIY-BLLLJJGKSA-N -1 3 399.524 3.819 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825193460 608270898 /nfs/dbraw/zinc/27/08/98/608270898.db2.gz LSKVNPHUPORYDT-MAUKXSAKSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825193460 608270900 /nfs/dbraw/zinc/27/09/00/608270900.db2.gz LSKVNPHUPORYDT-MAUKXSAKSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000826276602 608280530 /nfs/dbraw/zinc/28/05/30/608280530.db2.gz NJBJOSGPTSPLRM-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000826276602 608280531 /nfs/dbraw/zinc/28/05/31/608280531.db2.gz NJBJOSGPTSPLRM-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM Cc1ccc(-c2nc(CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)co2)cc1 ZINC000826273905 608291884 /nfs/dbraw/zinc/29/18/84/608291884.db2.gz ZLCRZPXRNIHGFC-UHFFFAOYSA-N -1 3 387.447 3.716 20 0 GHADHM Cc1ccc(-c2nc(CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)co2)cc1 ZINC000826273905 608291885 /nfs/dbraw/zinc/29/18/85/608291885.db2.gz ZLCRZPXRNIHGFC-UHFFFAOYSA-N -1 3 387.447 3.716 20 0 GHADHM Cc1cn2nc(NCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)sc2n1 ZINC000826317044 608295553 /nfs/dbraw/zinc/29/55/53/608295553.db2.gz KMCKPVLNMDZZRY-UHFFFAOYSA-N -1 3 388.460 3.558 20 0 GHADHM Cc1cn2nc(NCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)sc2n1 ZINC000826317044 608295554 /nfs/dbraw/zinc/29/55/54/608295554.db2.gz KMCKPVLNMDZZRY-UHFFFAOYSA-N -1 3 388.460 3.558 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368106 608296153 /nfs/dbraw/zinc/29/61/53/608296153.db2.gz BZPQSDJFOJSWEY-QWHCGFSZSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368106 608296154 /nfs/dbraw/zinc/29/61/54/608296154.db2.gz BZPQSDJFOJSWEY-QWHCGFSZSA-N -1 3 381.402 3.529 20 0 GHADHM O[C@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc2ccccc2s1 ZINC000826503885 608297859 /nfs/dbraw/zinc/29/78/59/608297859.db2.gz IXDITVAEXRVICY-MRXNPFEDSA-N -1 3 392.488 3.501 20 0 GHADHM O[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc2ccccc2s1 ZINC000826503885 608297861 /nfs/dbraw/zinc/29/78/61/608297861.db2.gz IXDITVAEXRVICY-MRXNPFEDSA-N -1 3 392.488 3.501 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826268472 608298277 /nfs/dbraw/zinc/29/82/77/608298277.db2.gz YQAQZQXAOKNVIF-HUUCEWRRSA-N -1 3 396.470 3.505 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826268472 608298279 /nfs/dbraw/zinc/29/82/79/608298279.db2.gz YQAQZQXAOKNVIF-HUUCEWRRSA-N -1 3 396.470 3.505 20 0 GHADHM O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826422894 608305291 /nfs/dbraw/zinc/30/52/91/608305291.db2.gz PXGOKDXGEFVYGV-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826422894 608305294 /nfs/dbraw/zinc/30/52/94/608305294.db2.gz PXGOKDXGEFVYGV-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824447934 608313812 /nfs/dbraw/zinc/31/38/12/608313812.db2.gz DSWNUTFPUOYCBW-MRXNPFEDSA-N -1 3 392.507 3.763 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824447934 608313814 /nfs/dbraw/zinc/31/38/14/608313814.db2.gz DSWNUTFPUOYCBW-MRXNPFEDSA-N -1 3 392.507 3.763 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(Cl)c(OC)c(Cl)c1 ZINC000826170929 608321594 /nfs/dbraw/zinc/32/15/94/608321594.db2.gz VSVLFXYVWOFEGK-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(Cl)c(OC)c(Cl)c1 ZINC000826170929 608321595 /nfs/dbraw/zinc/32/15/95/608321595.db2.gz VSVLFXYVWOFEGK-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(-c2ccccc2C)no1 ZINC000826173519 608322363 /nfs/dbraw/zinc/32/23/63/608322363.db2.gz HPRPGSPJIQWJIB-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(-c2ccccc2C)no1 ZINC000826173519 608322364 /nfs/dbraw/zinc/32/23/64/608322364.db2.gz HPRPGSPJIQWJIB-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM O=C(CCCc1ccccn1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826406872 608328875 /nfs/dbraw/zinc/32/88/75/608328875.db2.gz QRMRUXYPAIZGDM-UHFFFAOYSA-N -1 3 398.470 3.568 20 0 GHADHM O=C(CCCc1ccccn1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826406872 608328877 /nfs/dbraw/zinc/32/88/77/608328877.db2.gz QRMRUXYPAIZGDM-UHFFFAOYSA-N -1 3 398.470 3.568 20 0 GHADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362804 608342995 /nfs/dbraw/zinc/34/29/95/608342995.db2.gz RHHYONYHCLMVMN-CQSZACIVSA-N -1 3 399.882 3.978 20 0 GHADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362804 608342996 /nfs/dbraw/zinc/34/29/96/608342996.db2.gz RHHYONYHCLMVMN-CQSZACIVSA-N -1 3 399.882 3.978 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361620 608346741 /nfs/dbraw/zinc/34/67/41/608346741.db2.gz GMLVDSWHVTZCRN-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361620 608346743 /nfs/dbraw/zinc/34/67/43/608346743.db2.gz GMLVDSWHVTZCRN-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CC(C)(C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000824059205 608379737 /nfs/dbraw/zinc/37/97/37/608379737.db2.gz OXAOMUZYPBHJAD-UHFFFAOYSA-N -1 3 396.539 3.558 20 0 GHADHM CC(C)(C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000824059205 608379739 /nfs/dbraw/zinc/37/97/39/608379739.db2.gz OXAOMUZYPBHJAD-UHFFFAOYSA-N -1 3 396.539 3.558 20 0 GHADHM Fc1c(CN2CCC(Oc3ccccc3Cl)CC2)cccc1-c1nnn[n-]1 ZINC000826370691 608414165 /nfs/dbraw/zinc/41/41/65/608414165.db2.gz DKGQJIRMFVKCEX-UHFFFAOYSA-N -1 3 387.846 3.703 20 0 GHADHM CCCCCn1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(C)n1 ZINC000825282142 608443562 /nfs/dbraw/zinc/44/35/62/608443562.db2.gz OIXLGMQOUVFGPU-UHFFFAOYSA-N -1 3 376.468 3.722 20 0 GHADHM CCCCCn1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c(C)n1 ZINC000825282142 608443564 /nfs/dbraw/zinc/44/35/64/608443564.db2.gz OIXLGMQOUVFGPU-UHFFFAOYSA-N -1 3 376.468 3.722 20 0 GHADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1C(F)(F)F ZINC000824052775 608448583 /nfs/dbraw/zinc/44/85/83/608448583.db2.gz RJXZMFCPEAIWNA-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1C(F)(F)F ZINC000824052775 608448585 /nfs/dbraw/zinc/44/85/85/608448585.db2.gz RJXZMFCPEAIWNA-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM CCC(CC)n1ccc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825113661 608465979 /nfs/dbraw/zinc/46/59/79/608465979.db2.gz DPBCAEQGLMCRSF-UHFFFAOYSA-N -1 3 377.496 3.714 20 0 GHADHM CCC(CC)n1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825113661 608465981 /nfs/dbraw/zinc/46/59/81/608465981.db2.gz DPBCAEQGLMCRSF-UHFFFAOYSA-N -1 3 377.496 3.714 20 0 GHADHM O=C(Nc1ccc(F)cc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826454921 608469951 /nfs/dbraw/zinc/46/99/51/608469951.db2.gz QRSBEWFCUSCMDS-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(F)cc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826454921 608469953 /nfs/dbraw/zinc/46/99/53/608469953.db2.gz QRSBEWFCUSCMDS-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM C[C@H](NC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824522303 608475250 /nfs/dbraw/zinc/47/52/50/608475250.db2.gz QNNVOIJOBNIAAX-HNNXBMFYSA-N -1 3 390.516 3.592 20 0 GHADHM C[C@H](NC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824522303 608475251 /nfs/dbraw/zinc/47/52/51/608475251.db2.gz QNNVOIJOBNIAAX-HNNXBMFYSA-N -1 3 390.516 3.592 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824772166 608523953 /nfs/dbraw/zinc/52/39/53/608523953.db2.gz UQHHYFMXIHYOCF-SNVBAGLBSA-N -1 3 378.299 3.884 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824772166 608523955 /nfs/dbraw/zinc/52/39/55/608523955.db2.gz UQHHYFMXIHYOCF-SNVBAGLBSA-N -1 3 378.299 3.884 20 0 GHADHM CC(C)(NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Br ZINC000824167257 608551608 /nfs/dbraw/zinc/55/16/08/608551608.db2.gz PYRCLVJZCSVPST-UHFFFAOYSA-N -1 3 390.260 3.793 20 0 GHADHM CC(C)(NCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Br ZINC000824167257 608551609 /nfs/dbraw/zinc/55/16/09/608551609.db2.gz PYRCLVJZCSVPST-UHFFFAOYSA-N -1 3 390.260 3.793 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825012223 608828084 /nfs/dbraw/zinc/82/80/84/608828084.db2.gz FGRSPPOXOYDVBD-CHWSQXEVSA-N -1 3 397.479 3.632 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825012223 608828086 /nfs/dbraw/zinc/82/80/86/608828086.db2.gz FGRSPPOXOYDVBD-CHWSQXEVSA-N -1 3 397.479 3.632 20 0 GHADHM COc1ccc(OCc2nc(CNc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826211877 608868755 /nfs/dbraw/zinc/86/87/55/608868755.db2.gz YEMPXXDEMQFNCF-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(OCc2nc(CNc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826211877 608868757 /nfs/dbraw/zinc/86/87/57/608868757.db2.gz YEMPXXDEMQFNCF-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM Fc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826374678 609152496 /nfs/dbraw/zinc/15/24/96/609152496.db2.gz JCAAPFIGJAELAP-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826374678 609152498 /nfs/dbraw/zinc/15/24/98/609152498.db2.gz JCAAPFIGJAELAP-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM COCCOc1cc(C)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826161239 609157977 /nfs/dbraw/zinc/15/79/77/609157977.db2.gz YJTKQLMZNUNCMQ-SFHVURJKSA-N -1 3 379.464 3.690 20 0 GHADHM COCCOc1cc(C)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826161239 609157978 /nfs/dbraw/zinc/15/79/78/609157978.db2.gz YJTKQLMZNUNCMQ-SFHVURJKSA-N -1 3 379.464 3.690 20 0 GHADHM Fc1ccccc1-c1nnc(SCc2cccc(-c3nnn[n-]3)c2)n1C1CC1 ZINC000826377737 609166583 /nfs/dbraw/zinc/16/65/83/609166583.db2.gz DJKZRLAFOAYIQE-UHFFFAOYSA-N -1 3 393.451 3.892 20 0 GHADHM Fc1ccccc1-c1nnc(SCc2cccc(-c3nn[n-]n3)c2)n1C1CC1 ZINC000826377737 609166585 /nfs/dbraw/zinc/16/65/85/609166585.db2.gz DJKZRLAFOAYIQE-UHFFFAOYSA-N -1 3 393.451 3.892 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccccc1C(C)(C)C ZINC000825480828 609179103 /nfs/dbraw/zinc/17/91/03/609179103.db2.gz MUFUUSKGOMJTFL-UHFFFAOYSA-N -1 3 393.495 3.647 20 0 GHADHM Clc1cnc(CSCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826354068 609184264 /nfs/dbraw/zinc/18/42/64/609184264.db2.gz OKFKANGBCZKFLV-UHFFFAOYSA-N -1 3 382.276 3.881 20 0 GHADHM Clc1cnc(CSCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826354068 609184266 /nfs/dbraw/zinc/18/42/66/609184266.db2.gz OKFKANGBCZKFLV-UHFFFAOYSA-N -1 3 382.276 3.881 20 0 GHADHM Clc1ccc(NCc2ccc(Oc3cnccn3)cc2)cc1-c1nnn[n-]1 ZINC000826352833 609200206 /nfs/dbraw/zinc/20/02/06/609200206.db2.gz PSSRTSWEDKISFC-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM Clc1ccc(NCc2ccc(Oc3cnccn3)cc2)cc1-c1nn[n-]n1 ZINC000826352833 609200208 /nfs/dbraw/zinc/20/02/08/609200208.db2.gz PSSRTSWEDKISFC-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825076924 609216298 /nfs/dbraw/zinc/21/62/98/609216298.db2.gz YZIWUDOYHTUOQI-UGSOOPFHSA-N -1 3 397.504 3.738 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825076924 609216300 /nfs/dbraw/zinc/21/63/00/609216300.db2.gz YZIWUDOYHTUOQI-UGSOOPFHSA-N -1 3 397.504 3.738 20 0 GHADHM CSc1ccccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826231149 609233923 /nfs/dbraw/zinc/23/39/23/609233923.db2.gz ZEXKGMLMVXQYOY-UHFFFAOYSA-N -1 3 383.477 3.557 20 0 GHADHM CSc1ccccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826231149 609233925 /nfs/dbraw/zinc/23/39/25/609233925.db2.gz ZEXKGMLMVXQYOY-UHFFFAOYSA-N -1 3 383.477 3.557 20 0 GHADHM Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1C ZINC000826283617 609242792 /nfs/dbraw/zinc/24/27/92/609242792.db2.gz WCZPREVVJPVPQS-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1C ZINC000826283617 609242793 /nfs/dbraw/zinc/24/27/93/609242793.db2.gz WCZPREVVJPVPQS-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM C[C@@H](Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824655306 609279588 /nfs/dbraw/zinc/27/95/88/609279588.db2.gz CARNTFYAAKEEHH-LLVKDONJSA-N -1 3 377.427 3.943 20 0 GHADHM Cc1ccc(-c2cnc(CSc3nnc(C)c(C)c3-c3nnn[n-]3)o2)cc1 ZINC000826273728 609305059 /nfs/dbraw/zinc/30/50/59/609305059.db2.gz RBSVZTMHLGXCDB-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM Cc1ccc(-c2cnc(CSc3nnc(C)c(C)c3-c3nn[n-]n3)o2)cc1 ZINC000826273728 609305060 /nfs/dbraw/zinc/30/50/60/609305060.db2.gz RBSVZTMHLGXCDB-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM Cc1nnc(SCc2ccccc2OCC(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826337707 609307368 /nfs/dbraw/zinc/30/73/68/609307368.db2.gz YFHCRECXCQEHSB-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1nnc(SCc2ccccc2OCC(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826337707 609307370 /nfs/dbraw/zinc/30/73/70/609307370.db2.gz YFHCRECXCQEHSB-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1noc(C)c1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826339641 609316830 /nfs/dbraw/zinc/31/68/30/609316830.db2.gz MSNCYVUONDVBIA-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1noc(C)c1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826339641 609316833 /nfs/dbraw/zinc/31/68/33/609316833.db2.gz MSNCYVUONDVBIA-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM CCOc1cc2c(cc1CN[C@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000825616137 609323753 /nfs/dbraw/zinc/32/37/53/609323753.db2.gz XRTGEANAKQDBGR-QWHCGFSZSA-N -1 3 397.454 3.579 20 0 GHADHM CCOc1cc2c(cc1CN[C@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000825616137 609323754 /nfs/dbraw/zinc/32/37/54/609323754.db2.gz XRTGEANAKQDBGR-QWHCGFSZSA-N -1 3 397.454 3.579 20 0 GHADHM Fc1cccc2c1OCCC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826378095 609324511 /nfs/dbraw/zinc/32/45/11/609324511.db2.gz VBMMDOYBQUOJOE-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1cccc2c1OCCC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826378095 609324513 /nfs/dbraw/zinc/32/45/13/609324513.db2.gz VBMMDOYBQUOJOE-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM CCc1onc(C)c1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825782778 609332658 /nfs/dbraw/zinc/33/26/58/609332658.db2.gz PAAOTRBSMQCZDE-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1onc(C)c1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825782778 609332660 /nfs/dbraw/zinc/33/26/60/609332660.db2.gz PAAOTRBSMQCZDE-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826455896 609337678 /nfs/dbraw/zinc/33/76/78/609337678.db2.gz ILELYKPTXIINDG-HNNXBMFYSA-N -1 3 390.369 3.552 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826455896 609337680 /nfs/dbraw/zinc/33/76/80/609337680.db2.gz ILELYKPTXIINDG-HNNXBMFYSA-N -1 3 390.369 3.552 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cccc1C(=O)N1CCCC1 ZINC000826242227 609349728 /nfs/dbraw/zinc/34/97/28/609349728.db2.gz GDLAWUTVGHOHSR-AWEZNQCLSA-N -1 3 394.454 3.723 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cccc1C(=O)N1CCCC1 ZINC000826242227 609349730 /nfs/dbraw/zinc/34/97/30/609349730.db2.gz GDLAWUTVGHOHSR-AWEZNQCLSA-N -1 3 394.454 3.723 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(OC)cc1Cl ZINC000826180498 609349924 /nfs/dbraw/zinc/34/99/24/609349924.db2.gz KAHLDYHEJHYGPO-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(OC)cc1Cl ZINC000826180498 609349926 /nfs/dbraw/zinc/34/99/26/609349926.db2.gz KAHLDYHEJHYGPO-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM Cc1cnc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826318775 609352373 /nfs/dbraw/zinc/35/23/73/609352373.db2.gz YNUGHIQXOCBOIW-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1cnc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826318775 609352375 /nfs/dbraw/zinc/35/23/75/609352375.db2.gz YNUGHIQXOCBOIW-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825029364 609355982 /nfs/dbraw/zinc/35/59/82/609355982.db2.gz QMMSVFLNFWIFPP-SNVBAGLBSA-N -1 3 390.310 3.810 20 0 GHADHM C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825029364 609355984 /nfs/dbraw/zinc/35/59/84/609355984.db2.gz QMMSVFLNFWIFPP-SNVBAGLBSA-N -1 3 390.310 3.810 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1ccco1 ZINC000823820529 609359976 /nfs/dbraw/zinc/35/99/76/609359976.db2.gz GQAXUEHPTLBFEX-OAHLLOKOSA-N -1 3 388.269 3.949 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1-c1nnn[n-]1 ZINC000824919742 609405556 /nfs/dbraw/zinc/40/55/56/609405556.db2.gz XUXRIAXQSIPZPY-XOBRGWDASA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000824919742 609405557 /nfs/dbraw/zinc/40/55/57/609405557.db2.gz XUXRIAXQSIPZPY-XOBRGWDASA-N -1 3 384.484 3.698 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000824014209 609419507 /nfs/dbraw/zinc/41/95/07/609419507.db2.gz DVJHGIQYCMVDTD-UHFFFAOYSA-N -1 3 375.354 3.725 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000824014209 609419509 /nfs/dbraw/zinc/41/95/09/609419509.db2.gz DVJHGIQYCMVDTD-UHFFFAOYSA-N -1 3 375.354 3.725 20 0 GHADHM C[C@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522091 609424090 /nfs/dbraw/zinc/42/40/90/609424090.db2.gz PYFNREFNUJDJMR-LBPRGKRZSA-N -1 3 382.493 3.643 20 0 GHADHM C[C@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522091 609424091 /nfs/dbraw/zinc/42/40/91/609424091.db2.gz PYFNREFNUJDJMR-LBPRGKRZSA-N -1 3 382.493 3.643 20 0 GHADHM FCc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826370189 609446929 /nfs/dbraw/zinc/44/69/29/609446929.db2.gz HSIBQCSVNRQKMQ-UHFFFAOYSA-N -1 3 383.818 3.787 20 0 GHADHM FCc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000826370189 609446931 /nfs/dbraw/zinc/44/69/31/609446931.db2.gz HSIBQCSVNRQKMQ-UHFFFAOYSA-N -1 3 383.818 3.787 20 0 GHADHM CC(C)(C)CCNC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824087491 609449845 /nfs/dbraw/zinc/44/98/45/609449845.db2.gz VTBDZFWBZWEFFX-UHFFFAOYSA-N -1 3 387.431 3.530 20 0 GHADHM CC(C)(C)CCNC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824087491 609449846 /nfs/dbraw/zinc/44/98/46/609449846.db2.gz VTBDZFWBZWEFFX-UHFFFAOYSA-N -1 3 387.431 3.530 20 0 GHADHM Fc1cccc(CCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1F ZINC000826376886 609477712 /nfs/dbraw/zinc/47/77/12/609477712.db2.gz WWSCVABLDPGUNQ-UHFFFAOYSA-N -1 3 394.385 3.987 20 0 GHADHM C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824925062 609487098 /nfs/dbraw/zinc/48/70/98/609487098.db2.gz AJZSZPBHSCKMMN-AUUYWEPGSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824925062 609487100 /nfs/dbraw/zinc/48/71/00/609487100.db2.gz AJZSZPBHSCKMMN-AUUYWEPGSA-N -1 3 377.448 3.820 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C/c2ccccc2OC)cc1-c1nnn[n-]1 ZINC000825553912 609489398 /nfs/dbraw/zinc/48/93/98/609489398.db2.gz ZHIVOIIDYHEREU-SOFGYWHQSA-N -1 3 394.435 3.569 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C/c2ccccc2OC)cc1-c1nn[n-]n1 ZINC000825553912 609489400 /nfs/dbraw/zinc/48/94/00/609489400.db2.gz ZHIVOIIDYHEREU-SOFGYWHQSA-N -1 3 394.435 3.569 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2ccccc2F)cc1-c1nnn[n-]1 ZINC000824329043 609490285 /nfs/dbraw/zinc/49/02/85/609490285.db2.gz FUIRNMSASWQVLR-UHFFFAOYSA-N -1 3 393.426 3.795 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2ccccc2F)cc1-c1nn[n-]n1 ZINC000824329043 609490286 /nfs/dbraw/zinc/49/02/86/609490286.db2.gz FUIRNMSASWQVLR-UHFFFAOYSA-N -1 3 393.426 3.795 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826456136 609493641 /nfs/dbraw/zinc/49/36/41/609493641.db2.gz RJAXQDBMULQCSH-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826456136 609493642 /nfs/dbraw/zinc/49/36/42/609493642.db2.gz RJAXQDBMULQCSH-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309429 609498508 /nfs/dbraw/zinc/49/85/08/609498508.db2.gz OEMISTDQUBKMHS-UHFFFAOYSA-N -1 3 395.463 3.589 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309429 609498510 /nfs/dbraw/zinc/49/85/10/609498510.db2.gz OEMISTDQUBKMHS-UHFFFAOYSA-N -1 3 395.463 3.589 20 0 GHADHM CCCc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC000825348434 609504195 /nfs/dbraw/zinc/50/41/95/609504195.db2.gz KJEXMPAFIABQDS-CQSZACIVSA-N -1 3 393.495 3.622 20 0 GHADHM CCCc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC000825348434 609504197 /nfs/dbraw/zinc/50/41/97/609504197.db2.gz KJEXMPAFIABQDS-CQSZACIVSA-N -1 3 393.495 3.622 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)cc(C)cc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826263750 609504819 /nfs/dbraw/zinc/50/48/19/609504819.db2.gz OXGTXIOXUSYLPX-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)cc(C)cc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826263750 609504820 /nfs/dbraw/zinc/50/48/20/609504820.db2.gz OXGTXIOXUSYLPX-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826238846 609522878 /nfs/dbraw/zinc/52/28/78/609522878.db2.gz QSQKYDHWHSTMJZ-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826238846 609522879 /nfs/dbraw/zinc/52/28/79/609522879.db2.gz QSQKYDHWHSTMJZ-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826278770 609541734 /nfs/dbraw/zinc/54/17/34/609541734.db2.gz RRBAOZMQJJIUMD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826278770 609541735 /nfs/dbraw/zinc/54/17/35/609541735.db2.gz RRBAOZMQJJIUMD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cnc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)c1 ZINC000826317520 609554032 /nfs/dbraw/zinc/55/40/32/609554032.db2.gz GAIJSZZLDFPAGP-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000825182913 609555682 /nfs/dbraw/zinc/55/56/82/609555682.db2.gz MLUKRBLKUUPAEC-NVXWUHKLSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000825182913 609555684 /nfs/dbraw/zinc/55/56/84/609555684.db2.gz MLUKRBLKUUPAEC-NVXWUHKLSA-N -1 3 393.447 3.803 20 0 GHADHM CCCOc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000825338935 609576677 /nfs/dbraw/zinc/57/66/77/609576677.db2.gz KUCMTLANCWNOIF-UHFFFAOYSA-N -1 3 390.394 3.572 20 0 GHADHM CCCOc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000825338935 609576678 /nfs/dbraw/zinc/57/66/78/609576678.db2.gz KUCMTLANCWNOIF-UHFFFAOYSA-N -1 3 390.394 3.572 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826408688 609607150 /nfs/dbraw/zinc/60/71/50/609607150.db2.gz REQXKWQHAJHMJU-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826408688 609607152 /nfs/dbraw/zinc/60/71/52/609607152.db2.gz REQXKWQHAJHMJU-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM Fc1cccc([C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)C(F)(F)F)c1F ZINC000826371321 609608836 /nfs/dbraw/zinc/60/88/36/609608836.db2.gz BORUYLXZNMNSFY-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)C(F)(F)F)c1F ZINC000826371321 609608838 /nfs/dbraw/zinc/60/88/38/609608838.db2.gz BORUYLXZNMNSFY-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Cc1ncc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c(Cl)c1Cl ZINC000826329612 609620638 /nfs/dbraw/zinc/62/06/38/609620638.db2.gz LBYCEFNLPHEMRZ-UHFFFAOYSA-N -1 3 398.637 3.887 20 0 GHADHM Cc1ncc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c(Cl)c1Cl ZINC000826329612 609620639 /nfs/dbraw/zinc/62/06/39/609620639.db2.gz LBYCEFNLPHEMRZ-UHFFFAOYSA-N -1 3 398.637 3.887 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713488 609630241 /nfs/dbraw/zinc/63/02/41/609630241.db2.gz ISCVCORDVCCDJG-UGSOOPFHSA-N -1 3 380.448 3.502 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713488 609630243 /nfs/dbraw/zinc/63/02/43/609630243.db2.gz ISCVCORDVCCDJG-UGSOOPFHSA-N -1 3 380.448 3.502 20 0 GHADHM COc1ccccc1N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000683472179 837386408 /nfs/dbraw/zinc/38/64/08/837386408.db2.gz VXOIJQRGOYGGOQ-UHFFFAOYSA-N -1 3 392.333 3.712 20 0 GHADHM Cc1ccc(-c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c(F)c1 ZINC000376502030 837683930 /nfs/dbraw/zinc/68/39/30/837683930.db2.gz TXHLOMMIMWXNRQ-UHFFFAOYSA-N -1 3 377.379 3.641 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COCCc2ccccc2)c1 ZINC000278264887 834421498 /nfs/dbraw/zinc/42/14/98/834421498.db2.gz UUYMHUNGNPOASQ-QGZVFWFLSA-N -1 3 392.377 3.823 20 0 GHADHM Cn1ncc(C(=O)Nc2ccc(Br)cc2[O-])c1Cc1ccccc1 ZINC000683578931 837774208 /nfs/dbraw/zinc/77/42/08/837774208.db2.gz OOMRUJAAEJBAON-UHFFFAOYSA-N -1 3 386.249 3.731 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000170706264 834617552 /nfs/dbraw/zinc/61/75/52/834617552.db2.gz POGBPBDCRQSQCW-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccncc1 ZINC000683144114 834700080 /nfs/dbraw/zinc/70/00/80/834700080.db2.gz VLPMPECANKYDCZ-SNVBAGLBSA-N -1 3 389.702 3.580 20 0 GHADHM O=C(CCCn1cccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000128559194 834701601 /nfs/dbraw/zinc/70/16/01/834701601.db2.gz HIVSTRCDMXKKCC-UHFFFAOYSA-N -1 3 389.883 3.505 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(C=Cc4ccc[nH]4)n3)n[n-]2)c1 ZINC000583708184 834902318 /nfs/dbraw/zinc/90/23/18/834902318.db2.gz KYMXOQCQYRQTKD-SREVYHEPSA-N -1 3 383.209 3.783 20 0 GHADHM O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583762489 834996749 /nfs/dbraw/zinc/99/67/49/834996749.db2.gz VWAGIQGSABVJOS-UHFFFAOYSA-N -1 3 389.455 3.611 20 0 GHADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000685512739 835053518 /nfs/dbraw/zinc/05/35/18/835053518.db2.gz ICVKZRDZWCCZST-CQSZACIVSA-N -1 3 377.890 3.579 20 0 GHADHM CCCc1c(NC(=O)c2c(C)[n-]c(=O)nc2SC)cnn1-c1ccc(C)cc1 ZINC000278440720 835096190 /nfs/dbraw/zinc/09/61/90/835096190.db2.gz HNVTUSLVPZZVOF-UHFFFAOYSA-N -1 3 397.504 3.911 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000536139211 835110362 /nfs/dbraw/zinc/11/03/62/835110362.db2.gz BYZNOSMETUNOPA-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM COc1ccncc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000431604212 835112438 /nfs/dbraw/zinc/11/24/38/835112438.db2.gz MHMNDYQJYGYIOK-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM COc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000130881075 835115628 /nfs/dbraw/zinc/11/56/28/835115628.db2.gz BUCOPJATCYWCRC-ZDUSSCGKSA-N -1 3 387.329 3.972 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cccc(OCC(F)F)n2)no1 ZINC000685685229 835334723 /nfs/dbraw/zinc/33/47/23/835334723.db2.gz WFTWIUHHMYDLST-UHFFFAOYSA-N -1 3 398.728 3.820 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000151454186 835442336 /nfs/dbraw/zinc/44/23/36/835442336.db2.gz ZRZOGZUYDZVYHM-CYBMUJFWSA-N -1 3 382.404 3.905 20 0 GHADHM O=C(CSc1ccc(F)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000151517430 835488704 /nfs/dbraw/zinc/48/87/04/835488704.db2.gz GCXXMUNGRRKHIH-UHFFFAOYSA-N -1 3 388.233 3.841 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC(C)(C(=O)[O-])CC1 ZINC000647372543 835503719 /nfs/dbraw/zinc/50/37/19/835503719.db2.gz OOXOXXYGZDADFW-NWDGAFQWSA-N -1 3 387.307 3.746 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000158700179 835506142 /nfs/dbraw/zinc/50/61/42/835506142.db2.gz PVRRKBOSGYKWAH-MWLCHTKSSA-N -1 3 399.818 3.526 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)s1 ZINC000151583720 835558299 /nfs/dbraw/zinc/55/82/99/835558299.db2.gz XXDQMYNUBQWOPL-UHFFFAOYSA-N -1 3 391.084 3.909 20 0 GHADHM Cc1cc(C(=O)[N-]c2nc(-c3cccnc3)ns2)sc1Br ZINC001266309648 835664799 /nfs/dbraw/zinc/66/47/99/835664799.db2.gz FQRSWUAGLPOKGB-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000177056299 835674641 /nfs/dbraw/zinc/67/46/41/835674641.db2.gz NGCKAPIULCGBGO-UHFFFAOYSA-N -1 3 391.349 3.854 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1C ZINC000134446806 835726643 /nfs/dbraw/zinc/72/66/43/835726643.db2.gz ISMGZXLPQPCUKB-UHFFFAOYSA-N -1 3 388.276 3.643 20 0 GHADHM CC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC=CC1 ZINC000655227415 835768529 /nfs/dbraw/zinc/76/85/29/835768529.db2.gz QRHJAYZANQEDFD-UHFFFAOYSA-N -1 3 381.657 3.783 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429951514 844086762 /nfs/dbraw/zinc/08/67/62/844086762.db2.gz IZSAJPFTRRJYMQ-SNVBAGLBSA-N -1 3 393.310 3.641 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1cc(F)ccc1Cl ZINC000169096624 835825266 /nfs/dbraw/zinc/82/52/66/835825266.db2.gz BPJJEBONHJZAOS-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000893734942 844099662 /nfs/dbraw/zinc/09/96/62/844099662.db2.gz KTYWLQAFFJMAES-GJZGRUSLSA-N -1 3 397.313 3.503 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(C)s2)cc1OC ZINC000065820183 835886195 /nfs/dbraw/zinc/88/61/95/835886195.db2.gz IVLBDUHUZFTDMF-LBPRGKRZSA-N -1 3 397.522 3.709 20 0 GHADHM O=c1nc(CN2CCOC[C@@H]2c2ccco2)[n-]c2scc(-c3ccco3)c21 ZINC000375796246 835901457 /nfs/dbraw/zinc/90/14/57/835901457.db2.gz SMURKZCVCMGPPD-CYBMUJFWSA-N -1 3 383.429 3.823 20 0 GHADHM COc1cc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc(OC)c1[O-] ZINC000275018466 835914225 /nfs/dbraw/zinc/91/42/25/835914225.db2.gz SEFVLJVLWRJTDV-UHFFFAOYSA-N -1 3 398.419 3.656 20 0 GHADHM Cc1ccsc1CCCC(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000162172783 835918753 /nfs/dbraw/zinc/91/87/53/835918753.db2.gz QPFFEJCCLREHQS-UHFFFAOYSA-N -1 3 399.285 3.742 20 0 GHADHM Cc1cccc(OCC(=O)N[N-]C(=O)c2sccc2-c2ccc(F)cc2)c1 ZINC000065834785 835998012 /nfs/dbraw/zinc/99/80/12/835998012.db2.gz NBQKSGQRBCJPTQ-UHFFFAOYSA-N -1 3 384.432 3.703 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cnn(-c2ccccc2F)c1 ZINC000180288019 836120453 /nfs/dbraw/zinc/12/04/53/836120453.db2.gz GFWGYLPURQEXOG-UHFFFAOYSA-N -1 3 387.223 3.514 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429964887 844130984 /nfs/dbraw/zinc/13/09/84/844130984.db2.gz BUZQQMGTIJXIBB-JTQLQIEISA-N -1 3 379.283 3.805 20 0 GHADHM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1F ZINC000513035226 844133082 /nfs/dbraw/zinc/13/30/82/844133082.db2.gz DDHZVACGELSVCS-XJKSGUPXSA-N -1 3 383.872 3.925 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000133068463 844136466 /nfs/dbraw/zinc/13/64/66/844136466.db2.gz QOQLHKFROSGDKN-MRXNPFEDSA-N -1 3 389.293 3.549 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174007142 836360430 /nfs/dbraw/zinc/36/04/30/836360430.db2.gz DHIZWTZOHFNNBX-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM Cc1ccc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c([O-])c1 ZINC000153627263 836368798 /nfs/dbraw/zinc/36/87/98/836368798.db2.gz QGFBKVKOYWXLAS-QGZVFWFLSA-N -1 3 385.464 3.915 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)/C=C(/C)c2ccccc2Cl)o1 ZINC000066631189 836498978 /nfs/dbraw/zinc/49/89/78/836498978.db2.gz FUAGORKNYDQZOJ-OWBHPGMISA-N -1 3 389.883 3.639 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)NC(=O)NCc3ccc([O-])c(F)c3)n2)cc1 ZINC000472448224 836506189 /nfs/dbraw/zinc/50/61/89/836506189.db2.gz OLQHQKSONVEISK-LBPRGKRZSA-N -1 3 384.411 3.704 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(C(F)F)cc3)CCCCCC2)no1 ZINC000549723792 844181153 /nfs/dbraw/zinc/18/11/53/844181153.db2.gz HDHPXMFFAOUDQF-UHFFFAOYSA-N -1 3 399.463 3.985 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3cccnc3OC(C)C)cc2)cc(=O)[n-]1 ZINC000612702048 836624072 /nfs/dbraw/zinc/62/40/72/836624072.db2.gz NLLFQHRZFRVKMV-UHFFFAOYSA-N -1 3 393.447 3.662 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc3c2OCCCO3)c1 ZINC000650192620 836688410 /nfs/dbraw/zinc/68/84/10/836688410.db2.gz ZOXZBKQSXBAGSS-UHFFFAOYSA-N -1 3 398.278 3.720 20 0 GHADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc([O-])ccc1Cl ZINC000683377484 836810841 /nfs/dbraw/zinc/81/08/41/836810841.db2.gz YXBRGAHKYKDSOV-SFHVURJKSA-N -1 3 395.286 3.502 20 0 GHADHM O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc([O-])ccc1Cl ZINC000683377483 836811030 /nfs/dbraw/zinc/81/10/30/836811030.db2.gz YXBRGAHKYKDSOV-GOSISDBHSA-N -1 3 395.286 3.502 20 0 GHADHM O=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)[N-]C(=O)c1cccs1 ZINC000024282419 836826040 /nfs/dbraw/zinc/82/60/40/836826040.db2.gz BDGRCYBHUUZRCH-UHFFFAOYSA-N -1 3 389.429 3.729 20 0 GHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2O1 ZINC000430373123 836852376 /nfs/dbraw/zinc/85/23/76/836852376.db2.gz HOVSKUYMABHAMJ-UHFFFAOYSA-N -1 3 381.837 3.583 20 0 GHADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc2ccccc2c1 ZINC000175534836 836868461 /nfs/dbraw/zinc/86/84/61/836868461.db2.gz OTWWEXQQQFRKNN-QGZVFWFLSA-N -1 3 388.467 3.634 20 0 GHADHM COc1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Cl ZINC000413976622 836974905 /nfs/dbraw/zinc/97/49/05/836974905.db2.gz JNTLESUBSQTBNK-UHFFFAOYSA-N -1 3 377.872 3.722 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1occ2c1CCOC2 ZINC000376134045 837000298 /nfs/dbraw/zinc/00/02/98/837000298.db2.gz VGWZDYFFMHHJMT-UHFFFAOYSA-N -1 3 375.837 3.700 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)c(F)cc1F ZINC000175800427 837011220 /nfs/dbraw/zinc/01/12/20/837011220.db2.gz GSEVFVQKLYNWLI-LBPRGKRZSA-N -1 3 378.400 3.968 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)c(C)o1 ZINC000175822985 837028738 /nfs/dbraw/zinc/02/87/38/837028738.db2.gz VOTBUBREWTWDSN-LLVKDONJSA-N -1 3 396.896 3.515 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccccc4c(=O)o3)c2)n1 ZINC000376429656 837161745 /nfs/dbraw/zinc/16/17/45/837161745.db2.gz TXRCSWPKHUGQPM-UHFFFAOYSA-N -1 3 387.395 3.770 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000471304803 837173108 /nfs/dbraw/zinc/17/31/08/837173108.db2.gz STHFNTOFKXQRHR-UHFFFAOYSA-N -1 3 385.420 3.545 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)OCO2 ZINC000471307374 837184150 /nfs/dbraw/zinc/18/41/50/837184150.db2.gz WONADGFVWRNUFJ-NSHDSACASA-N -1 3 377.393 3.649 20 0 GHADHM C[C@H](SC[C@@H]1COCCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000419356761 844259763 /nfs/dbraw/zinc/25/97/63/844259763.db2.gz HZQULFCMEHAFMO-QWRGUYRKSA-N -1 3 378.475 3.867 20 0 GHADHM Cn1cc(Br)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)n1 ZINC000479225187 838016607 /nfs/dbraw/zinc/01/66/07/838016607.db2.gz YSIAISRKVZCDEX-UHFFFAOYSA-N -1 3 398.673 3.607 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1cnc(C(C)=O)s1 ZINC000415714210 838017654 /nfs/dbraw/zinc/01/76/54/838017654.db2.gz AATZOBGDXYROHD-UHFFFAOYSA-N -1 3 392.380 3.855 20 0 GHADHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000377862675 838072777 /nfs/dbraw/zinc/07/27/77/838072777.db2.gz ZMUARAWTJLNNOV-CQSZACIVSA-N -1 3 381.863 3.580 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000377898048 838125794 /nfs/dbraw/zinc/12/57/94/838125794.db2.gz KVWJTEKAGUPLIP-AWEZNQCLSA-N -1 3 384.863 3.802 20 0 GHADHM Cc1ccc(Cl)c(OCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000024458657 838181099 /nfs/dbraw/zinc/18/10/99/838181099.db2.gz ZTXNKMXGVLVUHE-UHFFFAOYSA-N -1 3 387.650 3.795 20 0 GHADHM Cc1ccc(COC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000728727242 838219096 /nfs/dbraw/zinc/21/90/96/838219096.db2.gz OJDWKMNWYGGUGH-UHFFFAOYSA-N -1 3 388.420 3.620 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(C1)CCCC2 ZINC000547989976 838287356 /nfs/dbraw/zinc/28/73/56/838287356.db2.gz KJKLUNQCWIOIKK-HXUWFJFHSA-N -1 3 378.472 3.656 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cccc(N(C)C)c3)c2)n1 ZINC000187965959 838432458 /nfs/dbraw/zinc/43/24/58/838432458.db2.gz UVADZBRZZJLWDG-UHFFFAOYSA-N -1 3 390.487 3.637 20 0 GHADHM CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031758886 838504661 /nfs/dbraw/zinc/50/46/61/838504661.db2.gz LQNQCRAQEPAIGU-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM CCC[C@H]1SCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000135024372 838678761 /nfs/dbraw/zinc/67/87/61/838678761.db2.gz MUHYKEPQUGTYQN-OAHLLOKOSA-N -1 3 381.295 3.606 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@H]1c1ccc(Cl)cc1 ZINC000659796813 838680585 /nfs/dbraw/zinc/68/05/85/838680585.db2.gz CKGXFDQDGFVWBR-DLBZAZTESA-N -1 3 383.835 3.690 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000659795823 838682042 /nfs/dbraw/zinc/68/20/42/838682042.db2.gz DIBSAYCGQGRHJR-OAHLLOKOSA-N -1 3 375.387 3.721 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[O-] ZINC000115258422 838693426 /nfs/dbraw/zinc/69/34/26/838693426.db2.gz VZOWLFGSYBCGAI-MHZLTWQESA-N -1 3 381.453 3.961 20 0 GHADHM CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000414637389 838713022 /nfs/dbraw/zinc/71/30/22/838713022.db2.gz MBTDPPRSQJDWEK-HTAPYJJXSA-N -1 3 381.520 3.821 20 0 GHADHM O=C(NC1CC1)c1cc(SCc2cc(=O)[n-]c(C3CC3)n2)nc2ccccc21 ZINC000580047451 838734225 /nfs/dbraw/zinc/73/42/25/838734225.db2.gz CIFUOVFSJSDOOP-UHFFFAOYSA-N -1 3 392.484 3.792 20 0 GHADHM CC1(C)CC(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000548056004 838754654 /nfs/dbraw/zinc/75/46/54/838754654.db2.gz LYGHINPRNXAHDG-HXUWFJFHSA-N -1 3 380.488 3.806 20 0 GHADHM COc1ccc(Br)c(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000580085093 838837119 /nfs/dbraw/zinc/83/71/19/838837119.db2.gz MULHMTCZUWLEIB-KRWDZBQOSA-N -1 3 378.266 3.585 20 0 GHADHM COc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182874514 838837304 /nfs/dbraw/zinc/83/73/04/838837304.db2.gz BRKVCSJKAQUAAB-NRFANRHFSA-N -1 3 390.439 3.901 20 0 GHADHM COc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000182877600 838838511 /nfs/dbraw/zinc/83/85/11/838838511.db2.gz KBVJXLAISWSWDR-NRFANRHFSA-N -1 3 390.439 3.901 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(F)cc1 ZINC000182878412 838838805 /nfs/dbraw/zinc/83/88/05/838838805.db2.gz BJBDWQWJNIYGFK-NRFANRHFSA-N -1 3 392.430 3.709 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000188695884 838899100 /nfs/dbraw/zinc/89/91/00/838899100.db2.gz UGXCYFMKTILVLC-UHFFFAOYSA-N -1 3 381.219 3.542 20 0 GHADHM CCCOc1ccc(-c2nc(C(=O)N3CCCc4c(=O)[n-]cnc43)cs2)cc1 ZINC000893213128 838920081 /nfs/dbraw/zinc/92/00/81/838920081.db2.gz PLWAUSLCZXNPFB-UHFFFAOYSA-N -1 3 396.472 3.688 20 0 GHADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cnn(-c3ccccc3Cl)c2)cc1C ZINC000049994419 838984177 /nfs/dbraw/zinc/98/41/77/838984177.db2.gz ZWHBWWDOLPRDDY-UHFFFAOYSA-N -1 3 399.907 3.774 20 0 GHADHM COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613705510 839090769 /nfs/dbraw/zinc/09/07/69/839090769.db2.gz NXOVHCAZJFFTQB-NSHDSACASA-N -1 3 380.238 3.707 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000416385636 839119274 /nfs/dbraw/zinc/11/92/74/839119274.db2.gz KKMAWYNDMQJUHB-VIFPVBQESA-N -1 3 393.303 3.701 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[O-] ZINC000613654033 839150382 /nfs/dbraw/zinc/15/03/82/839150382.db2.gz YZJKULJTVAFRLE-QZTJIDSGSA-N -1 3 394.254 3.632 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000416501815 839324412 /nfs/dbraw/zinc/32/44/12/839324412.db2.gz JEGSEOJQOFSFCD-JTQLQIEISA-N -1 3 396.734 3.586 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(C(F)(F)F)n1 ZINC000683902050 839366965 /nfs/dbraw/zinc/36/69/65/839366965.db2.gz NKSPSJMJZRPZQU-UHFFFAOYSA-N -1 3 398.765 3.843 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000613671099 839426287 /nfs/dbraw/zinc/42/62/87/839426287.db2.gz NYIDPYCBJDPEBH-CJNGLKHVSA-N -1 3 393.484 3.653 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)c1 ZINC000125311919 839437256 /nfs/dbraw/zinc/43/72/56/839437256.db2.gz QPMVCZHOYJMQAM-UHFFFAOYSA-N -1 3 392.459 3.946 20 0 GHADHM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000018079176 839466377 /nfs/dbraw/zinc/46/63/77/839466377.db2.gz HXNCCRKETZSCBI-UHFFFAOYSA-N -1 3 378.469 3.853 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1Cl ZINC000683925036 839479205 /nfs/dbraw/zinc/47/92/05/839479205.db2.gz UFLOQNJDLXCYAQ-UHFFFAOYSA-N -1 3 391.880 3.703 20 0 GHADHM Cc1nc(-c2ccc(N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)nc2)[n-]c(=O)c1C ZINC000656224453 839612010 /nfs/dbraw/zinc/61/20/10/839612010.db2.gz IYAWUXLXGINYRX-KBPBESRZSA-N -1 3 382.386 3.773 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)[n-]1 ZINC000580621301 839917309 /nfs/dbraw/zinc/91/73/09/839917309.db2.gz PMAJVBQHYBDGPC-UHFFFAOYSA-N -1 3 392.303 3.691 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616826135 839933810 /nfs/dbraw/zinc/93/38/10/839933810.db2.gz IHMCUGNXKLBQAQ-FQEVSTJZSA-N -1 3 377.444 3.823 20 0 GHADHM O=C(NCc1cccc(COCc2ccccc2)c1)NCc1ncccc1[O-] ZINC000471612941 840042711 /nfs/dbraw/zinc/04/27/11/840042711.db2.gz VNVAGPGKRQIICR-UHFFFAOYSA-N -1 3 377.444 3.503 20 0 GHADHM Cc1nc(-c2ccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)cc2)cs1 ZINC000053194612 840139734 /nfs/dbraw/zinc/13/97/34/840139734.db2.gz RYVZQHKRIPHZQC-WOJGMQOQSA-N -1 3 375.453 3.519 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCCSc2ccccc2)ccc1F ZINC000759843733 840147633 /nfs/dbraw/zinc/14/76/33/840147633.db2.gz SQXAQSCTYTTWOH-UHFFFAOYSA-N -1 3 383.466 3.536 20 0 GHADHM CCc1cc2c(CN[C@@H](C(=O)OC)c3ccc(F)c(C)c3)cc(=O)oc2cc1[O-] ZINC000185765601 840273918 /nfs/dbraw/zinc/27/39/18/840273918.db2.gz ROJJPGYOFKAGMW-OAQYLSRUSA-N -1 3 399.418 3.512 20 0 GHADHM CCC[C@]1([N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)CCOC1 ZINC001211823558 844532471 /nfs/dbraw/zinc/53/24/71/844532471.db2.gz OBUGOARSWZAKFE-AWEZNQCLSA-N -1 3 396.734 3.648 20 0 GHADHM CCCc1ccc(-c2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2)cc1 ZINC000473063218 840401547 /nfs/dbraw/zinc/40/15/47/840401547.db2.gz OQWTULNEAAEDKA-UHFFFAOYSA-N -1 3 389.455 3.662 20 0 GHADHM CN(C)c1nc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)cs1 ZINC000843559830 840504947 /nfs/dbraw/zinc/50/49/47/840504947.db2.gz VOMFWJOYQJBTQW-UHFFFAOYSA-N -1 3 380.247 3.924 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)[n-]1 ZINC000432008661 840526084 /nfs/dbraw/zinc/52/60/84/840526084.db2.gz WNFORQROAJOPCO-UHFFFAOYSA-N -1 3 387.411 3.712 20 0 GHADHM CCCCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000175974760 840675653 /nfs/dbraw/zinc/67/56/53/840675653.db2.gz OQGYJFUOGIDOSY-QGZVFWFLSA-N -1 3 378.494 3.548 20 0 GHADHM O=C(NCC1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000033054028 840737635 /nfs/dbraw/zinc/73/76/35/840737635.db2.gz QPMDQHKCKDDHOB-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000656399113 840746545 /nfs/dbraw/zinc/74/65/45/840746545.db2.gz RQFUZGAFXVLCIA-AWEZNQCLSA-N -1 3 395.532 3.548 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(Cc3ccc(OC)cc3)C3CC3)nc2)n1 ZINC000432128227 840786475 /nfs/dbraw/zinc/78/64/75/840786475.db2.gz XQZGGNGOLWLYNH-UHFFFAOYSA-N -1 3 376.460 3.984 20 0 GHADHM COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CC1=O ZINC000096590612 840803900 /nfs/dbraw/zinc/80/39/00/840803900.db2.gz QQYKZJRFNSJTDV-SNVBAGLBSA-N -1 3 395.242 3.699 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1C(F)(F)F ZINC000509908559 844578884 /nfs/dbraw/zinc/57/88/84/844578884.db2.gz IJUWYWITMPHTTB-UHFFFAOYSA-N -1 3 391.798 3.868 20 0 GHADHM COc1cc(C)sc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610486425 840852676 /nfs/dbraw/zinc/85/26/76/840852676.db2.gz WVPCIXHGHBHJON-UHFFFAOYSA-N -1 3 389.214 3.628 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1cccc(Cl)c1Br ZINC000561564260 840902829 /nfs/dbraw/zinc/90/28/29/840902829.db2.gz KXWKVBKDFKNGPP-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM C[C@@H](C(=O)Nc1cc(I)ccc1[O-])c1ccccc1F ZINC000610490099 840945248 /nfs/dbraw/zinc/94/52/48/840945248.db2.gz AFAYVRGRDVENEG-SECBINFHSA-N -1 3 385.176 3.878 20 0 GHADHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000511857409 840995669 /nfs/dbraw/zinc/99/56/69/840995669.db2.gz CAFNSMMHGVVZLE-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM CC(C)(C)CC[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417569819 841006108 /nfs/dbraw/zinc/00/61/08/841006108.db2.gz VHXDTOKPIMBLOS-ZDUSSCGKSA-N -1 3 393.240 3.799 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)cc1 ZINC000319059877 841050209 /nfs/dbraw/zinc/05/02/09/841050209.db2.gz HFRRVHAROIGLAK-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM COc1ccc(CN[C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cc1O ZINC000417642383 841094321 /nfs/dbraw/zinc/09/43/21/841094321.db2.gz VGBGDEIBUJAMKW-GTNSWQLSSA-N -1 3 394.265 3.715 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](C)c1c(C)noc1C ZINC000651612312 841130287 /nfs/dbraw/zinc/13/02/87/841130287.db2.gz JPAIDGFSSMHCRN-MRVPVSSYSA-N -1 3 393.328 3.506 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccccc1Br ZINC000468864464 841158300 /nfs/dbraw/zinc/15/83/00/841158300.db2.gz ILJBIPNSTCPTGA-UHFFFAOYSA-N -1 3 380.257 3.975 20 0 GHADHM O=C([O-])C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccsc1 ZINC000277096180 844617021 /nfs/dbraw/zinc/61/70/21/844617021.db2.gz YLRAUMHVGDMGMV-ZDUSSCGKSA-N -1 3 398.278 3.587 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@H]1C ZINC000430601849 841375569 /nfs/dbraw/zinc/37/55/69/841375569.db2.gz VCJOCFAWHVKTQF-BDAKNGLRSA-N -1 3 383.673 3.815 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000651691858 841376331 /nfs/dbraw/zinc/37/63/31/841376331.db2.gz JROCLIBFOSBAQF-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)nnn1-c1ccccc1 ZINC000600180506 861200706 /nfs/dbraw/zinc/20/07/06/861200706.db2.gz HPHMTMUOKKNYGQ-UHFFFAOYSA-N -1 3 394.485 3.831 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-n4ccc(C)n4)cc3)c2)n1 ZINC000049303272 841500975 /nfs/dbraw/zinc/50/09/75/841500975.db2.gz NTVZOEVYEHKQCA-UHFFFAOYSA-N -1 3 399.454 3.746 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cccc(OC)c3)c2)n1 ZINC000049302435 841504466 /nfs/dbraw/zinc/50/44/66/841504466.db2.gz BWFCNKOCWAXSQF-UHFFFAOYSA-N -1 3 377.444 3.579 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c(C)c1 ZINC000581529791 841610468 /nfs/dbraw/zinc/61/04/68/841610468.db2.gz ZSADXONXZMHUMH-ORAYPTAESA-N -1 3 388.489 3.566 20 0 GHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000191876348 841620004 /nfs/dbraw/zinc/62/00/04/841620004.db2.gz DTDGCBYLHMBWOZ-ZJUUUORDSA-N -1 3 387.274 3.643 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNCc3ccsc3Cl)c2)[n-]1 ZINC000581635076 841845303 /nfs/dbraw/zinc/84/53/03/841845303.db2.gz QSKGSCWSXRLCAS-UHFFFAOYSA-N -1 3 376.869 3.653 20 0 GHADHM CC(C)(O)c1nnc([N-]Cc2csc(-c3cccc(Br)c3)n2)o1 ZINC000276453078 841967253 /nfs/dbraw/zinc/96/72/53/841967253.db2.gz NHGBBOKYRQNZGE-UHFFFAOYSA-N -1 3 395.282 3.795 20 0 GHADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)o1 ZINC000625236783 861281009 /nfs/dbraw/zinc/28/10/09/861281009.db2.gz DVYFSPOLQOZKDD-UHFFFAOYSA-N -1 3 384.885 3.602 20 0 GHADHM CSc1cc(C(=O)[N-]NC(=O)Cc2ccsc2)c(Cl)cc1Cl ZINC000155893669 842167955 /nfs/dbraw/zinc/16/79/55/842167955.db2.gz RQMQLZXMCCMTLW-UHFFFAOYSA-N -1 3 375.302 3.781 20 0 GHADHM CC(C)N(CC(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184230879 842173073 /nfs/dbraw/zinc/17/30/73/842173073.db2.gz CBVYIEIOMFVWMD-GOSISDBHSA-N -1 3 390.430 3.756 20 0 GHADHM O=C(c1cc2sccc2s1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000473146678 842192620 /nfs/dbraw/zinc/19/26/20/842192620.db2.gz VAHMEOQLVQDNAP-UHFFFAOYSA-N -1 3 376.478 3.766 20 0 GHADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc2ccsc2[n-]1 ZINC000785068045 842236910 /nfs/dbraw/zinc/23/69/10/842236910.db2.gz KWCSGZFGSDBHJC-ZDUSSCGKSA-N -1 3 382.363 3.502 20 0 GHADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581841317 842274908 /nfs/dbraw/zinc/27/49/08/842274908.db2.gz CGVALLZZRAJJRI-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730810162 861297196 /nfs/dbraw/zinc/29/71/96/861297196.db2.gz YORWVIAEJWFBSZ-SNVBAGLBSA-N -1 3 382.295 3.844 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c2[O-] ZINC000511910386 842378863 /nfs/dbraw/zinc/37/88/63/842378863.db2.gz NABSQNWYDSYGPD-UHFFFAOYSA-N -1 3 390.418 3.656 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)sc1C ZINC000656921721 842403551 /nfs/dbraw/zinc/40/35/51/842403551.db2.gz CSRKYQMRSBKOAG-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000650503908 842419393 /nfs/dbraw/zinc/41/93/93/842419393.db2.gz CRKRKLVWVNFUMH-JOCHJYFZSA-N -1 3 394.515 3.587 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000432464694 842585884 /nfs/dbraw/zinc/58/58/84/842585884.db2.gz MYHXBPOJVZWGFU-INIZCTEOSA-N -1 3 380.897 3.834 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652471072 842595705 /nfs/dbraw/zinc/59/57/05/842595705.db2.gz SGGFNWBSMGQRPG-PZJWPPBQSA-N -1 3 397.515 3.716 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOCc3ccccc3)c2)n1 ZINC000050331834 842606730 /nfs/dbraw/zinc/60/67/30/842606730.db2.gz GMKZPVSOAUNCKM-UHFFFAOYSA-N -1 3 391.471 3.935 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1Cl ZINC000432489396 842665251 /nfs/dbraw/zinc/66/52/51/842665251.db2.gz KSNSNDOFJAZRRM-INIZCTEOSA-N -1 3 396.896 3.535 20 0 GHADHM CC(C)c1ccc(-c2noc(CCC(=O)Nc3nnc(C(F)(F)F)[n-]3)n2)cc1 ZINC000036744185 842690428 /nfs/dbraw/zinc/69/04/28/842690428.db2.gz MDBBUBBRPVTDMX-UHFFFAOYSA-N -1 3 394.357 3.568 20 0 GHADHM CC(C)c1ccc(-c2noc(CCC(=O)Nc3nc(C(F)(F)F)n[n-]3)n2)cc1 ZINC000036744185 842690433 /nfs/dbraw/zinc/69/04/33/842690433.db2.gz MDBBUBBRPVTDMX-UHFFFAOYSA-N -1 3 394.357 3.568 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c(C)c1 ZINC000432496846 842691757 /nfs/dbraw/zinc/69/17/57/842691757.db2.gz NBMZISREWXBQDX-GOSISDBHSA-N -1 3 390.505 3.580 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000548368543 842831023 /nfs/dbraw/zinc/83/10/23/842831023.db2.gz PDTJXHXNPBPOJU-UHFFFAOYSA-N -1 3 390.553 3.868 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178308704 861351768 /nfs/dbraw/zinc/35/17/68/861351768.db2.gz WOAUXSSRQFVWAA-TXEJJXNPSA-N -1 3 375.266 3.553 20 0 GHADHM COc1cc(C)c(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1OC ZINC000663263319 842948612 /nfs/dbraw/zinc/94/86/12/842948612.db2.gz YDZFHPGOTHLWDH-QGZVFWFLSA-N -1 3 383.366 3.947 20 0 GHADHM CCCCOCCOCc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436536933 842952548 /nfs/dbraw/zinc/95/25/48/842952548.db2.gz WLAUYPVISPSFCF-UHFFFAOYSA-N -1 3 387.432 3.707 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000548382891 842965963 /nfs/dbraw/zinc/96/59/63/842965963.db2.gz UOPZOGFZSSAIDC-LBPRGKRZSA-N -1 3 377.282 3.799 20 0 GHADHM COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([O-])cc2)cs1 ZINC000011077768 881340230 /nfs/dbraw/zinc/34/02/30/881340230.db2.gz NMNJEEVWCLGYEV-UHFFFAOYSA-N -1 3 398.440 3.899 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001211704768 843049553 /nfs/dbraw/zinc/04/95/53/843049553.db2.gz FDIBYDUQPYYQAF-KBPBESRZSA-N -1 3 385.501 3.743 20 0 GHADHM C[C@@H]1OCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[C@@H]1C(F)(F)F ZINC000662275880 843057266 /nfs/dbraw/zinc/05/72/66/843057266.db2.gz BWYANSRAXCHHSU-XPTSAGLGSA-N -1 3 399.394 3.809 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2F)s1 ZINC000510662550 843150937 /nfs/dbraw/zinc/15/09/37/843150937.db2.gz MGBOEMPGEHISGY-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM Cc1ccc(C(=O)O[C@H](C)C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000063641404 843202229 /nfs/dbraw/zinc/20/22/29/843202229.db2.gz PSGNOSKEDAOCNZ-LLVKDONJSA-N -1 3 396.827 3.657 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000176077388 843248972 /nfs/dbraw/zinc/24/89/72/843248972.db2.gz VHPXKXVXWKKIOA-UHFFFAOYSA-N -1 3 394.500 3.689 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](F)C3)c2)cc1 ZINC000518552862 843313549 /nfs/dbraw/zinc/31/35/49/843313549.db2.gz QCEJPXMPBQAWTQ-INIZCTEOSA-N -1 3 390.480 3.678 20 0 GHADHM CN(c1nc(C(=O)[N-]c2sccc2S(C)(=O)=O)cs1)c1ccccc1 ZINC001126248549 843330912 /nfs/dbraw/zinc/33/09/12/843330912.db2.gz UYPHWOCUFPYYMU-UHFFFAOYSA-N -1 3 393.515 3.628 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(CNC(N)=O)cc1 ZINC000067124218 843388013 /nfs/dbraw/zinc/38/80/13/843388013.db2.gz ZNHZAHBTQLRJBJ-UHFFFAOYSA-N -1 3 389.521 3.570 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)[n-]1 ZINC000432679001 843442328 /nfs/dbraw/zinc/44/23/28/843442328.db2.gz VHAPKZINLLDIHD-AWEZNQCLSA-N -1 3 393.484 3.721 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NCc3ncccc3[O-])s2)cc1 ZINC000471913109 843453797 /nfs/dbraw/zinc/45/37/97/843453797.db2.gz UDNLDTAXFPGJTA-CYBMUJFWSA-N -1 3 398.488 3.788 20 0 GHADHM CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000512342450 843478760 /nfs/dbraw/zinc/47/87/60/843478760.db2.gz JQTHLJIBNSFNDS-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM Cc1cccc(-n2cc(C(=O)[N-]c3n[nH]c(-c4cccc5ccccc54)n3)nn2)c1 ZINC000510806971 843515865 /nfs/dbraw/zinc/51/58/65/843515865.db2.gz RXIOQKXAZHNUEL-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCC1)c1cc(Cl)ccc1Br ZINC000429815198 843642187 /nfs/dbraw/zinc/64/21/87/843642187.db2.gz ZOXFEDLRYGVLIY-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)cc1Br ZINC000092186207 843737632 /nfs/dbraw/zinc/73/76/32/843737632.db2.gz YAULKASJWHWLEB-UHFFFAOYSA-N -1 3 397.294 3.690 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)cc1C(C)C ZINC000432775110 843769591 /nfs/dbraw/zinc/76/95/91/843769591.db2.gz SLHCQXSSRDNHDZ-UHFFFAOYSA-N -1 3 390.505 3.564 20 0 GHADHM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1 ZINC000432776709 843781536 /nfs/dbraw/zinc/78/15/36/843781536.db2.gz AOCUJOBXHOSFGG-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432780812 843807672 /nfs/dbraw/zinc/80/76/72/843807672.db2.gz PCFSIABVKJDDCE-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cc(Br)ccc1F ZINC000500671846 843812131 /nfs/dbraw/zinc/81/21/31/843812131.db2.gz BEGMXBVJKDAFLD-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1 ZINC000432782732 843814512 /nfs/dbraw/zinc/81/45/12/843814512.db2.gz YMRIEDPUDLQIHT-UHFFFAOYSA-N -1 3 380.469 3.784 20 0 GHADHM CO[C@@H](CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000469029011 843903139 /nfs/dbraw/zinc/90/31/39/843903139.db2.gz QRVLEXRGWDXKDF-NSHDSACASA-N -1 3 387.832 3.800 20 0 GHADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000509854863 843969187 /nfs/dbraw/zinc/96/91/87/843969187.db2.gz PBTRCXCIASVMRL-UHFFFAOYSA-N -1 3 378.432 3.830 20 0 GHADHM COc1cc([C@@H](C)NC(=O)NN=c2nc(C)cc(C)[n-]2)ccc1OCC(C)C ZINC000047046678 844770872 /nfs/dbraw/zinc/77/08/72/844770872.db2.gz MSTJWHMWFKPWQT-OAHLLOKOSA-N -1 3 387.484 3.524 20 0 GHADHM COc1ccccc1-c1cc(C(=O)[N-]c2ccccc2SCCC(N)=O)no1 ZINC000731170582 861498127 /nfs/dbraw/zinc/49/81/27/861498127.db2.gz XALPVVRVRGLDQL-UHFFFAOYSA-N -1 3 397.456 3.570 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)Cc1c(Cl)cccc1Cl ZINC000758459215 844812042 /nfs/dbraw/zinc/81/20/42/844812042.db2.gz DEBXNSONMNBBNM-MRVPVSSYSA-N -1 3 396.727 3.598 20 0 GHADHM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1cnc2ccsc2c1 ZINC000432970996 844818243 /nfs/dbraw/zinc/81/82/43/844818243.db2.gz LXNISPKWFYYOHE-CQSZACIVSA-N -1 3 390.383 3.859 20 0 GHADHM CCN(c1ccccc1)c1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000471986617 844869678 /nfs/dbraw/zinc/86/96/78/844869678.db2.gz YIWDPHMMTSCTLL-UHFFFAOYSA-N -1 3 376.460 3.945 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cc1CC ZINC000179242626 861508279 /nfs/dbraw/zinc/50/82/79/861508279.db2.gz DOCYPMBQQWMNQL-UHFFFAOYSA-N -1 3 376.478 3.579 20 0 GHADHM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482815 844921817 /nfs/dbraw/zinc/92/18/17/844921817.db2.gz UNNNPGDFDXECFN-FLIBITNWSA-N -1 3 378.837 3.709 20 0 GHADHM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000512658644 844925526 /nfs/dbraw/zinc/92/55/26/844925526.db2.gz XBBXAYVBSJKHSG-UHFFFAOYSA-N -1 3 396.896 3.685 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000067145430 845042687 /nfs/dbraw/zinc/04/26/87/845042687.db2.gz RKGKPJYHXWITSP-UHFFFAOYSA-N -1 3 391.832 3.865 20 0 GHADHM COC(=O)c1[n-]c(=NCc2ccc(OCc3ccccc3)c(OC)c2)sc1C ZINC000433599770 845058977 /nfs/dbraw/zinc/05/89/77/845058977.db2.gz NGVHWEBCQCJBRK-UHFFFAOYSA-N -1 3 398.484 3.860 20 0 GHADHM COC(=O)c1[n-]c(=NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)sc1C ZINC000433603764 845075318 /nfs/dbraw/zinc/07/53/18/845075318.db2.gz KPIKCIZYVNOHKD-AWEZNQCLSA-N -1 3 397.903 3.702 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000429998918 845099937 /nfs/dbraw/zinc/09/99/37/845099937.db2.gz GSFCEXWLHWULSO-CABCVRRESA-N -1 3 387.482 3.522 20 0 GHADHM CCc1cccc(CC)c1NC(=S)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000047582639 845125137 /nfs/dbraw/zinc/12/51/37/845125137.db2.gz XYOIERVLMSMESP-UHFFFAOYSA-N -1 3 378.501 3.991 20 0 GHADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1cccc(Oc2ccccc2)c1 ZINC000262062403 845224900 /nfs/dbraw/zinc/22/49/00/845224900.db2.gz BVMRQPDRSWZMEN-KSFYIVLOSA-N -1 3 380.444 3.604 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1cc(Cl)ccc1C(F)(F)F ZINC000509791465 845411764 /nfs/dbraw/zinc/41/17/64/845411764.db2.gz ZOKIPBNEMPWGNT-LLVKDONJSA-N -1 3 391.798 3.510 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000513438368 845440984 /nfs/dbraw/zinc/44/09/84/845440984.db2.gz RKQAALQDVUOXCI-UHFFFAOYSA-N -1 3 381.407 3.557 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(OCC(F)(F)F)cn2)c(F)c1F ZINC000433850292 845499522 /nfs/dbraw/zinc/49/95/22/845499522.db2.gz YLDHUSJHGRPENC-UHFFFAOYSA-N -1 3 392.255 3.895 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3F)nc(=O)c2c1C ZINC000061390083 861577714 /nfs/dbraw/zinc/57/77/14/861577714.db2.gz VQTVWHUEUMNRFN-MRVPVSSYSA-N -1 3 391.380 3.567 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CCCc3ccc(OC)cc32)c(C(=O)OCC)[n-]1 ZINC001269123797 846183376 /nfs/dbraw/zinc/18/33/76/846183376.db2.gz MHYHOIVFIGFENE-INIZCTEOSA-N -1 3 399.491 3.996 20 0 GHADHM CC(C)(c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000434065080 846229274 /nfs/dbraw/zinc/22/92/74/846229274.db2.gz CKMWOTIEKUVZPI-UHFFFAOYSA-N -1 3 375.354 3.959 20 0 GHADHM CC(C)(c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000434065080 846229277 /nfs/dbraw/zinc/22/92/77/846229277.db2.gz CKMWOTIEKUVZPI-UHFFFAOYSA-N -1 3 375.354 3.959 20 0 GHADHM CCOc1ccc(Oc2cc(CN=c3[n-]c(C(=O)OC)c(C)s3)ccn2)cc1 ZINC000434102478 846470850 /nfs/dbraw/zinc/47/08/50/846470850.db2.gz SFAXDEUBQDZHEO-UHFFFAOYSA-N -1 3 399.472 3.858 20 0 GHADHM C[C@H](CC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681202 846483110 /nfs/dbraw/zinc/48/31/10/846483110.db2.gz GQCYNUXAGHJQMV-SECBINFHSA-N -1 3 382.224 3.785 20 0 GHADHM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000421710485 846494725 /nfs/dbraw/zinc/49/47/25/846494725.db2.gz KWJHSOJPHGGDJN-KRWDZBQOSA-N -1 3 383.492 3.602 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000548696151 846520326 /nfs/dbraw/zinc/52/03/26/846520326.db2.gz YCBSONABEPXSKQ-UHFFFAOYSA-N -1 3 388.411 3.576 20 0 GHADHM COc1ccc(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(Br)c1[O-] ZINC000277510207 846598867 /nfs/dbraw/zinc/59/88/67/846598867.db2.gz YEPJZSZHAWLRDY-QWHCGFSZSA-N -1 3 386.286 3.677 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600355745 861700690 /nfs/dbraw/zinc/70/06/90/861700690.db2.gz JOPYCUJMNCPVGM-NHYWBVRUSA-N -1 3 387.398 3.851 20 0 GHADHM O=C(CCSCc1cc(=O)[n-]c(C2CC2)n1)NCc1ccccc1Cl ZINC000419599095 846683562 /nfs/dbraw/zinc/68/35/62/846683562.db2.gz DJBRNYJPPXOGSE-UHFFFAOYSA-N -1 3 377.897 3.653 20 0 GHADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000277547149 846871853 /nfs/dbraw/zinc/87/18/53/846871853.db2.gz ZYJXUOODJOPWCM-WMLDXEAASA-N -1 3 380.851 3.573 20 0 GHADHM C=CC(=O)Nc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000051629434 846974453 /nfs/dbraw/zinc/97/44/53/846974453.db2.gz DHUUMSAHDXFFJY-LLVKDONJSA-N -1 3 397.456 3.644 20 0 GHADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273262056 847287151 /nfs/dbraw/zinc/28/71/51/847287151.db2.gz QDXXGZPDHZTMKN-SECBINFHSA-N -1 3 384.288 3.555 20 0 GHADHM CSCCCCCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273476528 847349836 /nfs/dbraw/zinc/34/98/36/847349836.db2.gz JOVLIYDHWLETHI-UHFFFAOYSA-N -1 3 391.493 3.594 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C2CC2)s1 ZINC000420680708 847368430 /nfs/dbraw/zinc/36/84/30/847368430.db2.gz WTEISZMQESJKEU-CYBMUJFWSA-N -1 3 392.424 3.622 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(-c2ccccc2)s1 ZINC001211546778 847371804 /nfs/dbraw/zinc/37/18/04/847371804.db2.gz UIKLUGDMNBIRAF-UHFFFAOYSA-N -1 3 394.468 3.918 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000273600951 847382508 /nfs/dbraw/zinc/38/25/08/847382508.db2.gz LXIRUMMQMRLGRL-ZCFIWIBFSA-N -1 3 385.820 3.558 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)sc1Br ZINC000420700825 847382577 /nfs/dbraw/zinc/38/25/77/847382577.db2.gz DEXQGJQJFUGWCB-SNVBAGLBSA-N -1 3 396.397 3.631 20 0 GHADHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000503249988 847521255 /nfs/dbraw/zinc/52/12/55/847521255.db2.gz XGXIEBUDXJRPMY-UHFFFAOYSA-N -1 3 394.337 3.641 20 0 GHADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503291562 847566688 /nfs/dbraw/zinc/56/66/88/847566688.db2.gz KSEJQELBLQBNQL-IBGZPJMESA-N -1 3 376.391 3.647 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1ccccc1C(C)C)Cc1ccc([O-])c(F)c1 ZINC000421029019 847629486 /nfs/dbraw/zinc/62/94/86/847629486.db2.gz CCUSOZSMOBELBH-OAHLLOKOSA-N -1 3 388.439 3.808 20 0 GHADHM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(F)cc2n[n-]nc21 ZINC000503444516 847711474 /nfs/dbraw/zinc/71/14/74/847711474.db2.gz ZUTVZNSGQZBCJQ-UHFFFAOYSA-N -1 3 391.859 3.556 20 0 GHADHM CC(C)(CO)[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000564407869 847750186 /nfs/dbraw/zinc/75/01/86/847750186.db2.gz OSSXZZIXZSVVGJ-HXUWFJFHSA-N -1 3 377.444 3.931 20 0 GHADHM O=S(=O)([N-]CCSC(F)(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000117156899 848090175 /nfs/dbraw/zinc/09/01/75/848090175.db2.gz MXGJVSRGKKWSRX-UHFFFAOYSA-N -1 3 387.754 3.890 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1 ZINC000132023650 861878710 /nfs/dbraw/zinc/87/87/10/861878710.db2.gz IVIUSQBITCAFHB-UHFFFAOYSA-N -1 3 382.371 3.513 20 0 GHADHM CCC(=O)Nc1cccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000051873314 848231649 /nfs/dbraw/zinc/23/16/49/848231649.db2.gz LTTTUYWUIOMGBH-NSHDSACASA-N -1 3 399.472 3.868 20 0 GHADHM Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000652872089 861933085 /nfs/dbraw/zinc/93/30/85/861933085.db2.gz CUOSXRXIOMBLBV-LJQANCHMSA-N -1 3 381.451 3.688 20 0 GHADHM CCOc1cc2c(cc1NC(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)O[C@H](C)C2 ZINC000161721691 848705417 /nfs/dbraw/zinc/70/54/17/848705417.db2.gz BRXFYAMKRCRLAX-GFCCVEGCSA-N -1 3 396.418 3.950 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000731870753 861939670 /nfs/dbraw/zinc/93/96/70/861939670.db2.gz OKPDRZSWHMNYKI-OAHLLOKOSA-N -1 3 379.460 3.874 20 0 GHADHM O=C(NCc1ccc(COc2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000731895097 861943226 /nfs/dbraw/zinc/94/32/26/861943226.db2.gz JSZGSJQAASSABY-UHFFFAOYSA-N -1 3 385.423 3.844 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000731915875 861957422 /nfs/dbraw/zinc/95/74/22/861957422.db2.gz MDNPWGWKLYTAFD-UWVGGRQHSA-N -1 3 383.231 3.517 20 0 GHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000180149412 861980784 /nfs/dbraw/zinc/98/07/84/861980784.db2.gz VLWJTCJOBZGXGI-UHFFFAOYSA-N -1 3 399.472 3.584 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2nc(N3CCCC3)ncc2Cl)s1 ZINC000044286408 849171614 /nfs/dbraw/zinc/17/16/14/849171614.db2.gz QBDQZGKPVBGFIH-UHFFFAOYSA-N -1 3 380.905 3.738 20 0 GHADHM Cc1occc1C(=O)Nc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1F ZINC000503977601 849813634 /nfs/dbraw/zinc/81/36/34/849813634.db2.gz RQRJIQCZMOBYJN-UHFFFAOYSA-N -1 3 397.341 3.642 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(COc3ccccc3)cc2)c(=O)[n-]1 ZINC000180302282 862062165 /nfs/dbraw/zinc/06/21/65/862062165.db2.gz VXOALVUNBQESFC-UHFFFAOYSA-N -1 3 377.444 3.537 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1cc(F)ccc1Br ZINC000434958388 849946170 /nfs/dbraw/zinc/94/61/70/849946170.db2.gz MNCNIWRKNMQYBG-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1nccs1 ZINC000510021004 850168934 /nfs/dbraw/zinc/16/89/34/850168934.db2.gz WPPFZPLUWVDNMW-QMMMGPOBSA-N -1 3 384.832 3.897 20 0 GHADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000435214318 850219760 /nfs/dbraw/zinc/21/97/60/850219760.db2.gz BKLPOELKHNWRJF-VIFPVBQESA-N -1 3 392.315 3.868 20 0 GHADHM Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1C ZINC000908615133 850236540 /nfs/dbraw/zinc/23/65/40/850236540.db2.gz UIADZSUNABKBSD-JOCHJYFZSA-N -1 3 381.476 3.544 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cc(F)ccc1Br ZINC000435224770 850242467 /nfs/dbraw/zinc/24/24/67/850242467.db2.gz GHAAGEHQUPBFMR-GFCCVEGCSA-N -1 3 384.270 3.597 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)[n-]1 ZINC000504782964 850297277 /nfs/dbraw/zinc/29/72/77/850297277.db2.gz XUPPWZYAOBYOJL-UHFFFAOYSA-N -1 3 380.400 3.641 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000424252920 850315142 /nfs/dbraw/zinc/31/51/42/850315142.db2.gz DVJMZAOPZYXSJF-UGKGYDQZSA-N -1 3 390.499 3.893 20 0 GHADHM Cc1cc(C)cc([C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C(=O)[O-])c1 ZINC000908751385 850327892 /nfs/dbraw/zinc/32/78/92/850327892.db2.gz LGYZGAAVJGSVEZ-LEWJYISDSA-N -1 3 395.503 3.565 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])N(C)C)cc1 ZINC000908754319 850331616 /nfs/dbraw/zinc/33/16/16/850331616.db2.gz RBPUIHYTIJKRIV-LAUBAEHRSA-N -1 3 397.519 3.537 20 0 GHADHM CCCN(C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@@H](CC)C(=O)[O-] ZINC000908870286 850420039 /nfs/dbraw/zinc/42/00/39/850420039.db2.gz WZBMIYIPVPVHMU-VQTJNVASSA-N -1 3 389.540 3.744 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)cn1 ZINC000506688114 850440478 /nfs/dbraw/zinc/44/04/78/850440478.db2.gz GXFXDWHCOOERTN-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCc1cc(CCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)on1 ZINC000487131008 850495731 /nfs/dbraw/zinc/49/57/31/850495731.db2.gz SZWPHRPUWGNSPZ-UHFFFAOYSA-N -1 3 381.461 3.796 20 0 GHADHM C[C@@H](CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000908989949 850521134 /nfs/dbraw/zinc/52/11/34/850521134.db2.gz OCZMNFJULJDBNM-YYWHXJBOSA-N -1 3 395.503 3.507 20 0 GHADHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000505070808 850575323 /nfs/dbraw/zinc/57/53/23/850575323.db2.gz GUVGDBLVDZRKDX-ZDUSSCGKSA-N -1 3 390.699 3.923 20 0 GHADHM O=C(NCc1csc(CCc2ccccc2)n1)NCc1ccc([O-])c(F)c1 ZINC000435526383 850613129 /nfs/dbraw/zinc/61/31/29/850613129.db2.gz HQFIIILEYBGIQT-UHFFFAOYSA-N -1 3 385.464 3.772 20 0 GHADHM CCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1ccc(Cl)cc1 ZINC000505117280 850618272 /nfs/dbraw/zinc/61/82/72/850618272.db2.gz LUROMQKDXWJLGK-UHFFFAOYSA-N -1 3 384.802 3.751 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Br)c2)cc1 ZINC000487251672 850621505 /nfs/dbraw/zinc/62/15/05/850621505.db2.gz NJQXHQXTAINKEJ-UHFFFAOYSA-N -1 3 386.267 3.657 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnc(-c2ccccc2)nc1 ZINC000515028038 850623789 /nfs/dbraw/zinc/62/37/89/850623789.db2.gz ZJPWTZFKJBNFPI-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=S(=O)([N-]C1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000760618400 850760313 /nfs/dbraw/zinc/76/03/13/850760313.db2.gz BWFMRCCCRSQXJK-UHFFFAOYSA-N -1 3 383.872 3.588 20 0 GHADHM C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909819326 850803546 /nfs/dbraw/zinc/80/35/46/850803546.db2.gz JCWXDCWTBXRXRA-YJBOKZPZSA-N -1 3 394.471 3.556 20 0 GHADHM O=S(=O)([N-]C1CCC(O)(c2ccccc2)CC1)c1cc(F)ccc1Cl ZINC000760617509 850831814 /nfs/dbraw/zinc/83/18/14/850831814.db2.gz LKTRWBSKHCTKLD-UHFFFAOYSA-N -1 3 383.872 3.588 20 0 GHADHM COc1cc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cc(OC)c1[O-] ZINC000487725611 850862865 /nfs/dbraw/zinc/86/28/65/850862865.db2.gz MZXGOECOARNTDC-GOSISDBHSA-N -1 3 391.439 3.772 20 0 GHADHM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)n1 ZINC000909952490 850868794 /nfs/dbraw/zinc/86/87/94/850868794.db2.gz FVLPDRGULQSSEI-SFHVURJKSA-N -1 3 384.480 3.547 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2)C[C@H](C)O1 ZINC000909974038 850878118 /nfs/dbraw/zinc/87/81/18/850878118.db2.gz DEDGOBMWUJLRIG-STQMWFEESA-N -1 3 376.403 3.532 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC4(CCCC4=O)CC3)cc2)cc(=O)[n-]1 ZINC000664413776 850962645 /nfs/dbraw/zinc/96/26/45/850962645.db2.gz PBQLJOSJWPFRQJ-UHFFFAOYSA-N -1 3 380.448 3.525 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1 ZINC000434347766 851001372 /nfs/dbraw/zinc/00/13/72/851001372.db2.gz BHQFXLNYIROJQZ-PIGZYNQJSA-N -1 3 398.912 3.667 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCCC[C@H]1C(F)F ZINC000505411067 851009956 /nfs/dbraw/zinc/00/99/56/851009956.db2.gz NXMMOOSYSWRYOB-ZDUSSCGKSA-N -1 3 385.208 3.550 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCOc4ccccc43)cc2)cc(=O)[n-]1 ZINC000519492934 851136307 /nfs/dbraw/zinc/13/63/07/851136307.db2.gz BMDMKKATSSHTAN-INIZCTEOSA-N -1 3 390.443 3.845 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc(OC)c1[O-] ZINC000163842167 851188025 /nfs/dbraw/zinc/18/80/25/851188025.db2.gz AYNFVFUOZHZSAI-CQSZACIVSA-N -1 3 378.428 3.962 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)s1 ZINC000436159161 851272275 /nfs/dbraw/zinc/27/22/75/851272275.db2.gz ZZFOUGVBVGRMEP-UHFFFAOYSA-N -1 3 376.873 3.757 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nc1 ZINC000443941565 862227145 /nfs/dbraw/zinc/22/71/45/862227145.db2.gz VVCCXGUPNLYUKT-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM CCc1ccccc1CCSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000436204902 851318484 /nfs/dbraw/zinc/31/84/84/851318484.db2.gz NNPVWSDGBFJUJQ-UHFFFAOYSA-N -1 3 383.473 3.723 20 0 GHADHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCc1ncccc1[O-] ZINC000473644448 851375543 /nfs/dbraw/zinc/37/55/43/851375543.db2.gz RGBIKRYUZXPVOI-UHFFFAOYSA-N -1 3 382.847 3.879 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Br ZINC000488361034 851430102 /nfs/dbraw/zinc/43/01/02/851430102.db2.gz WHCFPOYVTTVRGH-UHFFFAOYSA-N -1 3 398.278 3.584 20 0 GHADHM O=c1nc(CN2C[C@H](O)Cc3ccccc32)[n-]c2scc(-c3ccco3)c21 ZINC000434667625 851457455 /nfs/dbraw/zinc/45/74/55/851457455.db2.gz XYWGCDWRUKVUDC-CYBMUJFWSA-N -1 3 379.441 3.581 20 0 GHADHM CC1CCN([C@H](CNC(=O)Cc2cccc(C(=O)[O-])c2)c2cccs2)CC1 ZINC000911101374 851571379 /nfs/dbraw/zinc/57/13/79/851571379.db2.gz GJJQVDLAIAOZCH-GOSISDBHSA-N -1 3 386.517 3.578 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2)CC1 ZINC000911245896 851641058 /nfs/dbraw/zinc/64/10/58/851641058.db2.gz DSRNDQWYNHMOMC-FQEVSTJZSA-N -1 3 384.451 3.727 20 0 GHADHM CC(C)c1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488668338 851684559 /nfs/dbraw/zinc/68/45/59/851684559.db2.gz SJTPKWLBLQGODH-UHFFFAOYSA-N -1 3 378.266 3.973 20 0 GHADHM O=C(Cc1csc(-c2ccoc2)n1)NCc1ccc([O-])c(Br)c1 ZINC000488669423 851685652 /nfs/dbraw/zinc/68/56/52/851685652.db2.gz FJHVBRAPGLWADX-UHFFFAOYSA-N -1 3 393.262 3.730 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C1(c2ccc(Br)cc2)CCC1 ZINC000488712640 851718057 /nfs/dbraw/zinc/71/80/57/851718057.db2.gz QDMJAPRWOGVDRH-UHFFFAOYSA-N -1 3 397.276 3.717 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000911503119 851763628 /nfs/dbraw/zinc/76/36/28/851763628.db2.gz YQKPESWRCXEPKN-UHFFFAOYSA-N -1 3 386.536 3.676 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)n[nH]1 ZINC000101678229 851812332 /nfs/dbraw/zinc/81/23/32/851812332.db2.gz PBAAOHZWHTYMRB-UHFFFAOYSA-N -1 3 394.818 3.833 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCc2ccc(Br)cc2)n1 ZINC000911808327 851904904 /nfs/dbraw/zinc/90/49/04/851904904.db2.gz CIZDMZXZHJMQPA-UHFFFAOYSA-N -1 3 392.297 3.627 20 0 GHADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N(C)C)cc1 ZINC000489004802 851932789 /nfs/dbraw/zinc/93/27/89/851932789.db2.gz WLTLCOWFWMCHIM-QGZVFWFLSA-N -1 3 384.904 3.623 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853676 851935138 /nfs/dbraw/zinc/93/51/38/851935138.db2.gz WJAXAQHXDPECGV-KRWDZBQOSA-N -1 3 377.444 3.567 20 0 GHADHM CC(=O)N(CCC(=O)Nc1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000101855991 851938405 /nfs/dbraw/zinc/93/84/05/851938405.db2.gz DNPHDMOFJLNBET-UHFFFAOYSA-N -1 3 391.265 3.532 20 0 GHADHM CNC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436508627 851993975 /nfs/dbraw/zinc/99/39/75/851993975.db2.gz CUUVMZKKOGQLJX-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM CC(C)OCCCN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436520807 852010168 /nfs/dbraw/zinc/01/01/68/852010168.db2.gz AKHOUTGIGBRPCS-NRFANRHFSA-N -1 3 398.503 3.527 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000436521203 852012028 /nfs/dbraw/zinc/01/20/28/852012028.db2.gz ZBLWYGYNUIVPLA-JOCHJYFZSA-N -1 3 390.458 3.909 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000180748626 862314375 /nfs/dbraw/zinc/31/43/75/862314375.db2.gz WVRCWMXCYAVCOK-HOCLYGCPSA-N -1 3 391.798 3.566 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c([O-])c1C ZINC000436532959 852023480 /nfs/dbraw/zinc/02/34/80/852023480.db2.gz KWQRDMHKDHYXHW-UHFFFAOYSA-N -1 3 395.503 3.994 20 0 GHADHM O=C(Nc1cccc(N2CCNC2=O)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436559207 852063189 /nfs/dbraw/zinc/06/31/89/852063189.db2.gz ZEHLEHDMRXLVOR-UHFFFAOYSA-N -1 3 389.411 3.966 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436563221 852066611 /nfs/dbraw/zinc/06/66/11/852066611.db2.gz OMODKCIBJJLOOQ-AWEZNQCLSA-N -1 3 385.464 3.766 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000436564325 852067977 /nfs/dbraw/zinc/06/79/77/852067977.db2.gz GMFWADWRLZHXRN-UHFFFAOYSA-N -1 3 378.428 3.736 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)c([O-])c1C ZINC000436572664 852075313 /nfs/dbraw/zinc/07/53/13/852075313.db2.gz FKGLWGCWPQZRLB-UHFFFAOYSA-N -1 3 382.460 3.512 20 0 GHADHM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc(CCc5ccccc5)ccc4[O-])[C@H]1[C@H]3C2 ZINC000436572564 852075440 /nfs/dbraw/zinc/07/54/40/852075440.db2.gz ZOVZUIFZXXAXAD-CTOYRMGLSA-N -1 3 377.484 3.673 20 0 GHADHM CN1C(=O)COc2ccc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])cc21 ZINC000436574996 852077316 /nfs/dbraw/zinc/07/73/16/852077316.db2.gz LMABNGDWZORBIH-UHFFFAOYSA-N -1 3 390.395 3.792 20 0 GHADHM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436589806 852096136 /nfs/dbraw/zinc/09/61/36/852096136.db2.gz PUJWLILWNVKETA-LJQANCHMSA-N -1 3 390.487 3.963 20 0 GHADHM COCCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(OC)c(OC)c1 ZINC000436590877 852097934 /nfs/dbraw/zinc/09/79/34/852097934.db2.gz OHGNHJITMQVCLQ-UHFFFAOYSA-N -1 3 385.460 3.581 20 0 GHADHM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603186 852103113 /nfs/dbraw/zinc/10/31/13/852103113.db2.gz MGSRTGMANXPCQZ-AUSIDOKSSA-N -1 3 397.540 3.962 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CCC(C)C)cs2)c1 ZINC000436637364 852131972 /nfs/dbraw/zinc/13/19/72/852131972.db2.gz YAGMHPUBLLYBJE-AWEZNQCLSA-N -1 3 389.521 3.893 20 0 GHADHM CC(C)(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)N1CCOCC1 ZINC000436645250 852154400 /nfs/dbraw/zinc/15/44/00/852154400.db2.gz COUDOWSIAAWZCZ-UHFFFAOYSA-N -1 3 397.500 3.718 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000436648134 852159829 /nfs/dbraw/zinc/15/98/29/852159829.db2.gz LLHATQISFUJWBL-UHFFFAOYSA-N -1 3 399.922 3.604 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(F)(F)F)c2ccccc2)c([O-])c1 ZINC000436666461 852164357 /nfs/dbraw/zinc/16/43/57/852164357.db2.gz QFRIHAWKZIWEMM-MRXNPFEDSA-N -1 3 394.393 3.630 20 0 GHADHM Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000436682455 852191842 /nfs/dbraw/zinc/19/18/42/852191842.db2.gz QCUUBQPNNIGFQH-UHFFFAOYSA-N -1 3 398.466 3.937 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3nc(CN4CCCCC4)cs3)c([O-])c2O1 ZINC000436684104 852192095 /nfs/dbraw/zinc/19/20/95/852192095.db2.gz XPJXUMCUBJHTDI-UHFFFAOYSA-N -1 3 387.505 3.800 20 0 GHADHM COc1ccccc1C[C@H](CNCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000426673306 852202513 /nfs/dbraw/zinc/20/25/13/852202513.db2.gz FLILVJMABGRGDM-QGZVFWFLSA-N -1 3 382.485 3.852 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c([O-])c1C ZINC000436692168 852205612 /nfs/dbraw/zinc/20/56/12/852205612.db2.gz MHGXVTZDGCRWQS-UHFFFAOYSA-N -1 3 377.444 3.646 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000436699340 852215890 /nfs/dbraw/zinc/21/58/90/852215890.db2.gz UMJXBPHOFDACSI-UHFFFAOYSA-N -1 3 396.821 3.605 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436734792 852276406 /nfs/dbraw/zinc/27/64/06/852276406.db2.gz CUKJKLZNSPEVFN-PBEJRMEISA-N -1 3 380.488 3.806 20 0 GHADHM CN(C)C(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436757556 852277431 /nfs/dbraw/zinc/27/74/31/852277431.db2.gz IPCNDKLDBIEHMY-UHFFFAOYSA-N -1 3 390.439 3.925 20 0 GHADHM CCCn1c(=O)c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436778300 852314533 /nfs/dbraw/zinc/31/45/33/852314533.db2.gz QKVJKTBLBDWCKI-UHFFFAOYSA-N -1 3 394.456 3.854 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])sc2C1 ZINC000426708735 852314765 /nfs/dbraw/zinc/31/47/65/852314765.db2.gz MLTJQZZRJCMODS-GXTWGEPZSA-N -1 3 378.925 3.954 20 0 GHADHM CCc1cc(-c2nc(-c3cc(=O)[n-]cn3)no2)c2c(CC(C)(C)C)noc2n1 ZINC000517741479 852331165 /nfs/dbraw/zinc/33/11/65/852331165.db2.gz PWNDFEGFEGXKAU-UHFFFAOYSA-N -1 3 380.408 3.586 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436782298 852335949 /nfs/dbraw/zinc/33/59/49/852335949.db2.gz WXNAEXTVEPCZCA-UHFFFAOYSA-N -1 3 398.846 3.698 20 0 GHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([O-])c1 ZINC000436783922 852336606 /nfs/dbraw/zinc/33/66/06/852336606.db2.gz VBXHCCNYURAPMM-OAHLLOKOSA-N -1 3 375.428 3.839 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000436790243 852344181 /nfs/dbraw/zinc/34/41/81/852344181.db2.gz GFSHXSRQVUJOKD-OAQYLSRUSA-N -1 3 393.439 3.937 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)c(F)c1 ZINC000426753551 852360712 /nfs/dbraw/zinc/36/07/12/852360712.db2.gz IZWNDDJYKLAFOE-APWZRJJASA-N -1 3 393.842 3.952 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-] ZINC000426755349 852363668 /nfs/dbraw/zinc/36/36/68/852363668.db2.gz YNYPAALFANKQOU-CYBMUJFWSA-N -1 3 385.295 3.943 20 0 GHADHM O=C([O-])[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1 ZINC000426770936 852374043 /nfs/dbraw/zinc/37/40/43/852374043.db2.gz XMHRETXPFCDPQX-SFHVURJKSA-N -1 3 389.377 3.866 20 0 GHADHM O=C(Nc1ccc2c(Cl)cccc2n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436835547 852386588 /nfs/dbraw/zinc/38/65/88/852386588.db2.gz AIXKSPTXWOSAGL-QGZVFWFLSA-N -1 3 395.846 3.837 20 0 GHADHM C/C(=C\c1ccccc1)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820006 852388131 /nfs/dbraw/zinc/38/81/31/852388131.db2.gz PGCIGUZXCIBEQR-XBVMLYLOSA-N -1 3 378.472 3.559 20 0 GHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1F ZINC000426806197 852394181 /nfs/dbraw/zinc/39/41/81/852394181.db2.gz AXEHJOLIODWOKR-OAHLLOKOSA-N -1 3 382.229 3.902 20 0 GHADHM COc1cc(C[C@H](NCc2csc(-c3ccccc3)n2)C(=O)[O-])cc(OC)c1 ZINC000426792670 852401907 /nfs/dbraw/zinc/40/19/07/852401907.db2.gz KDAZMAYSMQMUEM-IBGZPJMESA-N -1 3 398.484 3.613 20 0 GHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OC ZINC000426803316 852415162 /nfs/dbraw/zinc/41/51/62/852415162.db2.gz LSNYCYCKBRRDJF-IBGZPJMESA-N -1 3 377.412 3.547 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3c[nH]nc3-c3ccccc3F)c[n-]c12 ZINC000516319041 852419915 /nfs/dbraw/zinc/41/99/15/852419915.db2.gz ZLASADUFPWRDID-UHFFFAOYSA-N -1 3 380.354 3.757 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[O-] ZINC000436862601 852426896 /nfs/dbraw/zinc/42/68/96/852426896.db2.gz PBOVZKLGLSJDOG-UHFFFAOYSA-N -1 3 396.424 3.742 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCc3ccncc3)cc2)C(=O)[O-])cc1F ZINC000426819204 852431139 /nfs/dbraw/zinc/43/11/39/852431139.db2.gz HNBMOODFEJEKTL-OAQYLSRUSA-N -1 3 396.418 3.724 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000436905684 852471648 /nfs/dbraw/zinc/47/16/48/852471648.db2.gz UCYNHCDJWSIDRS-FZKQIMNGSA-N -1 3 395.377 3.960 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000912686243 852495697 /nfs/dbraw/zinc/49/56/97/852495697.db2.gz NRNKCXIUXWEIIX-UHFFFAOYSA-N -1 3 386.407 3.515 20 0 GHADHM COC1CCC(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489635926 852499623 /nfs/dbraw/zinc/49/96/23/852499623.db2.gz FKKXADPKHYQPJR-UHFFFAOYSA-N -1 3 399.406 3.598 20 0 GHADHM Cc1nc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)sc1Cc1cccc(C)c1 ZINC000516402989 852519029 /nfs/dbraw/zinc/51/90/29/852519029.db2.gz UCOVXMZARDSFHV-UHFFFAOYSA-N -1 3 382.489 3.644 20 0 GHADHM Cc1ccc(SCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436948262 852530012 /nfs/dbraw/zinc/53/00/12/852530012.db2.gz TWGSVXSOLBHHEA-UHFFFAOYSA-N -1 3 398.528 3.522 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1Cl ZINC000516418061 852540697 /nfs/dbraw/zinc/54/06/97/852540697.db2.gz OHIHDEMUSVKUJB-UHFFFAOYSA-N -1 3 399.896 3.791 20 0 GHADHM Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436959937 852550262 /nfs/dbraw/zinc/55/02/62/852550262.db2.gz FTIKRFVNUSLDCL-UHFFFAOYSA-N -1 3 383.411 3.982 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1 ZINC000436960982 852550871 /nfs/dbraw/zinc/55/08/71/852550871.db2.gz LGELHSSWPYLCMI-LSDHHAIUSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]3C(C)C)cs2)c1 ZINC000436982619 852572017 /nfs/dbraw/zinc/57/20/17/852572017.db2.gz XTQWOMWRTDMDPI-MRXNPFEDSA-N -1 3 387.505 3.599 20 0 GHADHM COc1ccc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c([O-])c1 ZINC000437005133 852601088 /nfs/dbraw/zinc/60/10/88/852601088.db2.gz WIPXIOYVYWYIEA-UHFFFAOYSA-N -1 3 385.851 3.593 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000437005664 852602553 /nfs/dbraw/zinc/60/25/53/852602553.db2.gz WFPZPMASSNBCBI-AWEZNQCLSA-N -1 3 391.265 3.577 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000427065248 852669353 /nfs/dbraw/zinc/66/93/53/852669353.db2.gz RTGRTYXITAKIQH-JTQLQIEISA-N -1 3 376.247 3.840 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000427065248 852669357 /nfs/dbraw/zinc/66/93/57/852669357.db2.gz RTGRTYXITAKIQH-JTQLQIEISA-N -1 3 376.247 3.840 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCO[C@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000516542088 852718007 /nfs/dbraw/zinc/71/80/07/852718007.db2.gz HBNBUYYVPJHUHF-KXBFYZLASA-N -1 3 384.480 3.730 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCO[C@@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000516542086 852718122 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3.715 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnn(CCC(F)(F)F)c1 ZINC000485089316 856086563 /nfs/dbraw/zinc/08/65/63/856086563.db2.gz BKJFFPSMYVNWJF-UHFFFAOYSA-N -1 3 390.325 3.619 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnn(CCC(F)(F)F)c1 ZINC000485089316 856086567 /nfs/dbraw/zinc/08/65/67/856086567.db2.gz BKJFFPSMYVNWJF-UHFFFAOYSA-N -1 3 390.325 3.619 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000030604623 856117975 /nfs/dbraw/zinc/11/79/75/856117975.db2.gz OXTXAKPYMYRVPQ-UHFFFAOYSA-N -1 3 385.346 3.571 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000030604623 856117978 /nfs/dbraw/zinc/11/79/78/856117978.db2.gz OXTXAKPYMYRVPQ-UHFFFAOYSA-N -1 3 385.346 3.571 20 0 GHADHM COC(=O)c1ccccc1CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485130367 856128543 /nfs/dbraw/zinc/12/85/43/856128543.db2.gz SKUXNNRADDCYSJ-UHFFFAOYSA-N -1 3 390.399 3.576 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000482165944 862766625 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GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)ccc1OC(C)C ZINC000485265609 856292877 /nfs/dbraw/zinc/29/28/77/856292877.db2.gz BUNKPOJIDQDLKC-UHFFFAOYSA-N -1 3 393.505 3.733 20 0 GHADHM COC(=O)c1sc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1C ZINC001168662874 856306061 /nfs/dbraw/zinc/30/60/61/856306061.db2.gz CPDQULDEMWYOPK-UHFFFAOYSA-N -1 3 376.821 3.590 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000507815586 856316963 /nfs/dbraw/zinc/31/69/63/856316963.db2.gz RIIAOQIAPQVDGL-WFASDCNBSA-N -1 3 379.888 3.594 20 0 GHADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436789046 856331355 /nfs/dbraw/zinc/33/13/55/856331355.db2.gz BSVIPBRQVSDIFO-NSHDSACASA-N -1 3 381.350 3.843 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)[n-]1 ZINC000427642615 856363132 /nfs/dbraw/zinc/36/31/32/856363132.db2.gz RKWKXKOTRUPWIM-UHFFFAOYSA-N -1 3 399.410 3.916 20 0 GHADHM Cn1cccc1[C@@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905497610 856370521 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GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000128766259 856506428 /nfs/dbraw/zinc/50/64/28/856506428.db2.gz XJTAWLAMDBTMPL-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM CN(c1ccccc1)c1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cn1 ZINC000905741956 856537254 /nfs/dbraw/zinc/53/72/54/856537254.db2.gz XMKVYNFGNKJEIR-MRXNPFEDSA-N -1 3 394.500 3.994 20 0 GHADHM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1cc([O-])c2ccccc2c1 ZINC000472213476 856563911 /nfs/dbraw/zinc/56/39/11/856563911.db2.gz IJIJRGLVTGSSBM-UHFFFAOYSA-N -1 3 389.390 3.790 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)c(=O)[n-]1 ZINC000281030799 862812097 /nfs/dbraw/zinc/81/20/97/862812097.db2.gz CBJSNNFGKRNTHJ-LJQANCHMSA-N -1 3 393.409 3.594 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000436842940 856595334 /nfs/dbraw/zinc/59/53/34/856595334.db2.gz ZHCFPIBJPPFLAC-SNVBAGLBSA-N -1 3 396.262 3.922 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000573921038 856618612 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O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000112273659 857117898 /nfs/dbraw/zinc/11/78/98/857117898.db2.gz OIFWNFLRZOTPBX-UONOGXRCSA-N -1 3 395.297 3.522 20 0 GHADHM CC(C)[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCS1 ZINC000173861483 857170334 /nfs/dbraw/zinc/17/03/34/857170334.db2.gz XXLWWFNJQNMLNA-CQSZACIVSA-N -1 3 375.519 3.818 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)c2cccnc12 ZINC000046240736 857233872 /nfs/dbraw/zinc/23/38/72/857233872.db2.gz GMFMJXVAPRZPRR-UHFFFAOYSA-N -1 3 395.846 3.741 20 0 GHADHM CCc1nc(C)c(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000428228963 857240471 /nfs/dbraw/zinc/24/04/71/857240471.db2.gz DHRPACLNCIPEER-UHFFFAOYSA-N -1 3 399.516 3.978 20 0 GHADHM CN(Cc1cc(Cl)cn1C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906968025 857400474 /nfs/dbraw/zinc/40/04/74/857400474.db2.gz JYZNGAWXUJEPSO-UHFFFAOYSA-N -1 3 384.889 3.754 20 0 GHADHM Cn1nccc1[C@@H]1C[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000574278458 857492358 /nfs/dbraw/zinc/49/23/58/857492358.db2.gz JTBPJMQHZWLRPO-VFNWGFHPSA-N -1 3 393.443 3.568 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061204664 857503593 /nfs/dbraw/zinc/50/35/93/857503593.db2.gz OATCFVSUQJOZBH-UHFFFAOYSA-N -1 3 377.444 3.740 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC(c3cccnc3)CC2)s1 ZINC000907188972 857523503 /nfs/dbraw/zinc/52/35/03/857523503.db2.gz YINJSIWRFSLFJS-UHFFFAOYSA-N -1 3 388.493 3.905 20 0 GHADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000062512345 857573291 /nfs/dbraw/zinc/57/32/91/857573291.db2.gz DMIRJWLSISPIJF-UHFFFAOYSA-N -1 3 389.386 3.785 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)s1 ZINC000907303228 857578371 /nfs/dbraw/zinc/57/83/71/857578371.db2.gz MRUPAFCXYRWOMS-CQSZACIVSA-N -1 3 388.493 3.590 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]2CCCC[C@H]12 ZINC000542991372 857586394 /nfs/dbraw/zinc/58/63/94/857586394.db2.gz BJTVJQXIDCXMMW-NDGTYSDOSA-N -1 3 389.293 3.941 20 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/nfs/dbraw/zinc/67/58/08/857675808.db2.gz FHYZNJQTEJYWBO-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM O=C([O-])c1cccc2c1CN(CCOc1ccc(OC(F)(F)F)cc1)CC2 ZINC000593752535 857713675 /nfs/dbraw/zinc/71/36/75/857713675.db2.gz NWJNTJJSPAOVNH-UHFFFAOYSA-N -1 3 381.350 3.721 20 0 GHADHM Cc1ccc(OCCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000676055898 857719629 /nfs/dbraw/zinc/71/96/29/857719629.db2.gz NZTXJBITGQCOCG-UHFFFAOYSA-N -1 3 378.266 3.939 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000070730987 857734912 /nfs/dbraw/zinc/73/49/12/857734912.db2.gz YWAFOFRGRMFXKT-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000070730987 857734916 /nfs/dbraw/zinc/73/49/16/857734916.db2.gz YWAFOFRGRMFXKT-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM C[C@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000733444832 862947110 /nfs/dbraw/zinc/94/71/10/862947110.db2.gz NQFWXBIPHQFDFN-HRAATJIYSA-N -1 3 390.439 3.953 20 0 GHADHM COc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([O-])c1 ZINC000065220772 857781646 /nfs/dbraw/zinc/78/16/46/857781646.db2.gz VTYCHZFWUBNBLH-UHFFFAOYSA-N -1 3 391.349 3.535 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CN1CCC[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000676233773 857797404 /nfs/dbraw/zinc/79/74/04/857797404.db2.gz UEIZWIBWZKPUJB-CRAIPNDOSA-N -1 3 378.488 3.606 20 0 GHADHM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000676338456 857831239 /nfs/dbraw/zinc/83/12/39/857831239.db2.gz NGGIBCIDMZOYKY-AWEZNQCLSA-N -1 3 388.880 3.966 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000486623282 857909712 /nfs/dbraw/zinc/90/97/12/857909712.db2.gz CQRORGZDPMRQSH-ZDUSSCGKSA-N -1 3 387.343 3.972 20 0 GHADHM CN(C)C(=O)Sc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)ccc1Cl ZINC000908196087 857988044 /nfs/dbraw/zinc/98/80/44/857988044.db2.gz SVZCXRDXKQAVJW-UHFFFAOYSA-N -1 3 392.868 3.739 20 0 GHADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)(C3)C2 ZINC000908284638 858023607 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GHADHM CSc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000442977035 858266454 /nfs/dbraw/zinc/26/64/54/858266454.db2.gz NZKAHBSLGDACRN-YOEHRIQHSA-N -1 3 384.501 3.596 20 0 GHADHM C=CCOC(=O)c1sc2[n-]c(Cc3nc4ccccc4s3)nc(=O)c2c1C ZINC000046703552 858311805 /nfs/dbraw/zinc/31/18/05/858311805.db2.gz XPTYWEQPURMANA-UHFFFAOYSA-N -1 3 397.481 3.836 20 0 GHADHM CCCCN1C(=O)CC[C@@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccc(OC)cc1 ZINC000543096668 858328000 /nfs/dbraw/zinc/32/80/00/858328000.db2.gz MPCUKRMTEUEEGG-YLJYHZDGSA-N -1 3 397.475 3.514 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1 ZINC000443104403 858361613 /nfs/dbraw/zinc/36/16/13/858361613.db2.gz SCXQDGPRLMFTHW-SNVBAGLBSA-N -1 3 388.272 3.820 20 0 GHADHM CCSc1nnc([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2CC)s1 ZINC000521840209 858377450 /nfs/dbraw/zinc/37/74/50/858377450.db2.gz GFEUGISTORWSHN-UHFFFAOYSA-N -1 3 394.913 3.699 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000665311672 858510444 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GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(-c3ccccc3)cc2OC)[n-]1 ZINC000895235971 858839452 /nfs/dbraw/zinc/83/94/52/858839452.db2.gz ZYNDUDDQQHLTFF-CQSZACIVSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2ccc(-c3ccccc3)cc2OC)n1 ZINC000895235971 858839457 /nfs/dbraw/zinc/83/94/57/858839457.db2.gz ZYNDUDDQQHLTFF-CQSZACIVSA-N -1 3 380.448 3.508 20 0 GHADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000474089709 858927143 /nfs/dbraw/zinc/92/71/43/858927143.db2.gz UCKHFXIJHLITTE-DNVCBOLYSA-N -1 3 390.505 3.795 20 0 GHADHM O=C(N[C@H]1CCc2c1cccc2Br)c1c[n-]c2ccccc2c1=O ZINC000068192439 858930753 /nfs/dbraw/zinc/93/07/53/858930753.db2.gz RVFQYEXAWXSUIU-KRWDZBQOSA-N -1 3 383.245 3.708 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1csc(-c2ccccc2)n1 ZINC000522310279 858994467 /nfs/dbraw/zinc/99/44/67/858994467.db2.gz JGGSNXZHMRZFOH-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM CCCC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OC)cc1 ZINC000482970435 859022057 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GHADHM COc1ccc2c(c1)c(C(=O)NCc1cnc(C)[n-]c1=O)c(C)n2C1CCCC1 ZINC000543318312 859253927 /nfs/dbraw/zinc/25/39/27/859253927.db2.gz WGNGBRDFRAKXFJ-UHFFFAOYSA-N -1 3 394.475 3.807 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H](c1cccs1)C1CC1 ZINC000640293615 881405907 /nfs/dbraw/zinc/40/59/07/881405907.db2.gz ZSIBDZGFGOSLJG-LLVKDONJSA-N -1 3 378.807 3.855 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923471670 859341369 /nfs/dbraw/zinc/34/13/69/859341369.db2.gz YEBMBWBUFDXVAW-CRAIPNDOSA-N -1 3 385.291 3.676 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000474155487 859350409 /nfs/dbraw/zinc/35/04/09/859350409.db2.gz BRLSPBFYTLPZTN-UHFFFAOYSA-N -1 3 385.855 3.629 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000474155487 859350424 /nfs/dbraw/zinc/35/04/24/859350424.db2.gz BRLSPBFYTLPZTN-UHFFFAOYSA-N -1 3 385.855 3.629 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1ccc(Br)cc1F ZINC000466732943 859378012 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20 0 GHADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])cnn1-c1cccc(Br)c1 ZINC000543392054 859529910 /nfs/dbraw/zinc/52/99/10/859529910.db2.gz FIQXZNAKFIOUBY-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000194663166 859594799 /nfs/dbraw/zinc/59/47/99/859594799.db2.gz CERFLZVOPDZHQB-UHFFFAOYSA-N -1 3 398.278 3.735 20 0 GHADHM Cc1ccc(CCCCC(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673505193 859612522 /nfs/dbraw/zinc/61/25/22/859612522.db2.gz ADHDLIWVGXUSMT-DLBZAZTESA-N -1 3 383.492 3.588 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509161 859631744 /nfs/dbraw/zinc/63/17/44/859631744.db2.gz PCGQPIZPBKYOLT-HUUCEWRRSA-N -1 3 399.466 3.518 20 0 GHADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])n1 ZINC000597557005 859634896 /nfs/dbraw/zinc/63/48/96/859634896.db2.gz BAAQMHMUXPNWEE-AWEZNQCLSA-N -1 3 392.502 3.725 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1cnc(-c2ccccc2)nc1 ZINC000194696432 859645656 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COc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000484256103 859903174 /nfs/dbraw/zinc/90/31/74/859903174.db2.gz KTQLWAJKHKDKBX-SFHVURJKSA-N -1 3 384.382 3.792 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccccc1Br ZINC000011808980 859938952 /nfs/dbraw/zinc/93/89/52/859938952.db2.gz UGCUDYPZZLAONV-UHFFFAOYSA-N -1 3 392.036 3.880 20 0 GHADHM CCC(CC)CS(=O)(=O)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000163600488 859958119 /nfs/dbraw/zinc/95/81/19/859958119.db2.gz GCQZFUYPIFISJK-MRXNPFEDSA-N -1 3 399.557 3.826 20 0 GHADHM CC(C)(C)CCS(=O)(=O)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000163602036 859964544 /nfs/dbraw/zinc/96/45/44/859964544.db2.gz AYUUCSDEMGDIRT-OAHLLOKOSA-N -1 3 399.557 3.826 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2c(F)ccc([O-])c2F)C1 ZINC000895856642 860009466 /nfs/dbraw/zinc/00/94/66/860009466.db2.gz VDGUQAWGKPGRIS-NSHDSACASA-N -1 3 392.393 3.652 20 0 GHADHM Cc1ccc(-n2ncc(NC(=O)c3cc4c(cc3[O-])OCO4)c2C(C)C)cc1 ZINC000436534492 860019644 /nfs/dbraw/zinc/01/96/44/860019644.db2.gz KZGMXYFKUYDDCQ-UHFFFAOYSA-N -1 3 379.416 3.991 20 0 GHADHM O=C([O-])C[C@H](NCc1cc(Br)cs1)c1ccc2c(c1)OCO2 ZINC000904045688 860064947 /nfs/dbraw/zinc/06/49/47/860064947.db2.gz WBQCBUXCVDPSOG-LBPRGKRZSA-N -1 3 384.251 3.545 20 0 GHADHM Cc1ccnc(CN[C@@H](Cc2c(C)cccc2C)C(=O)[O-])c1Br ZINC000904071930 860097094 /nfs/dbraw/zinc/09/70/94/860097094.db2.gz NGUZDNHAZXKABZ-HNNXBMFYSA-N -1 3 377.282 3.555 20 0 GHADHM COc1cncc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)c1C ZINC000904072381 860097586 /nfs/dbraw/zinc/09/75/86/860097586.db2.gz GNHAQPNZLJQGHM-MRXNPFEDSA-N -1 3 393.281 3.857 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1)NCc1ccc([O-])c(Br)c1 ZINC000428871759 860121918 /nfs/dbraw/zinc/12/19/18/860121918.db2.gz KEFKHKUUVJYTPY-UHFFFAOYSA-N -1 3 384.657 3.893 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1F ZINC000525924400 860134862 /nfs/dbraw/zinc/13/48/62/860134862.db2.gz TUCBUSCXFCRSOI-FQEVSTJZSA-N -1 3 375.403 3.937 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2ccccc2Oc2ccccc2)[n-]1 ZINC000484561571 860137472 /nfs/dbraw/zinc/13/74/72/860137472.db2.gz UBKYOGUGKKXJNC-UHFFFAOYSA-N -1 3 383.429 3.719 20 0 GHADHM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000527163091 860169424 /nfs/dbraw/zinc/16/94/24/860169424.db2.gz KNJJHQZSPMCGKF-UHFFFAOYSA-N -1 3 392.480 3.987 20 0 GHADHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000727681992 860180226 /nfs/dbraw/zinc/18/02/26/860180226.db2.gz RXUIJLTTWFVDTG-SECBINFHSA-N -1 3 378.675 3.605 20 0 GHADHM Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc([O-])c3ccccc3c2)cs1 ZINC000527459366 860180326 /nfs/dbraw/zinc/18/03/26/860180326.db2.gz JAMNSVGENWNTIL-WMZOPIPTSA-N -1 3 399.491 3.653 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602744437 860233521 /nfs/dbraw/zinc/23/35/21/860233521.db2.gz PSWKNHNXWBRIHW-FZMZJTMJSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000904220640 860243184 /nfs/dbraw/zinc/24/31/84/860243184.db2.gz TYPLMYUILNXXTC-GXZWQRSESA-N -1 3 384.476 3.623 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000727796400 860274358 /nfs/dbraw/zinc/27/43/58/860274358.db2.gz HHFJYESYIHJGEI-YOEHRIQHSA-N -1 3 384.517 3.601 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000024708331 860340574 /nfs/dbraw/zinc/34/05/74/860340574.db2.gz UXYGNVIBZWZRLZ-UHFFFAOYSA-N -1 3 375.824 3.756 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)s1 ZINC000484782342 860346334 /nfs/dbraw/zinc/34/63/34/860346334.db2.gz XJQUCAJNXHIPKM-OAHLLOKOSA-N -1 3 397.518 3.609 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc3c2OCCO3)c1Cl ZINC000728060795 860360428 /nfs/dbraw/zinc/36/04/28/860360428.db2.gz UPIZRIQDVVRDCH-UHFFFAOYSA-N -1 3 388.272 3.552 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000115989555 860393548 /nfs/dbraw/zinc/39/35/48/860393548.db2.gz RWAJSFXWXYBVPC-YLJYHZDGSA-N -1 3 394.515 3.869 20 0 GHADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484932204 860499047 /nfs/dbraw/zinc/49/90/47/860499047.db2.gz DJBNFJNRTSXWMD-UHFFFAOYSA-N -1 3 385.396 3.722 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2csc3ccccc32)c1 ZINC000730018345 860841507 /nfs/dbraw/zinc/84/15/07/860841507.db2.gz QXQUGRRSEXDZHG-NSHDSACASA-N -1 3 393.461 3.867 20 0 GHADHM CC(C)NC(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176435007 860874555 /nfs/dbraw/zinc/87/45/55/860874555.db2.gz STUAMPYNUTXFLE-UHFFFAOYSA-N -1 3 392.253 3.937 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCCOc2ccccc21 ZINC000640293774 881592903 /nfs/dbraw/zinc/59/29/03/881592903.db2.gz YHNGOZMISCKPNC-GFCCVEGCSA-N -1 3 388.777 3.556 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c2ccccc12 ZINC000730204355 860951646 /nfs/dbraw/zinc/95/16/46/860951646.db2.gz RGOUQCAKUVZIIL-UHFFFAOYSA-N -1 3 397.431 3.974 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000329030175 860961210 /nfs/dbraw/zinc/96/12/10/860961210.db2.gz AUHMAXRMIAGILS-LLVKDONJSA-N -1 3 383.819 3.739 20 0 GHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625124008 860978721 /nfs/dbraw/zinc/97/87/21/860978721.db2.gz XFKMLVJXNDFHCX-MRVPVSSYSA-N -1 3 395.321 3.603 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000329059576 860983580 /nfs/dbraw/zinc/98/35/80/860983580.db2.gz JDSGYROTSCBDFV-LERXQTSPSA-N -1 3 395.830 3.595 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccccc4O[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000494368014 881601038 /nfs/dbraw/zinc/60/10/38/881601038.db2.gz KCEWNGRMMCBEMU-CQSZACIVSA-N -1 3 390.443 3.973 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000600105365 860996974 /nfs/dbraw/zinc/99/69/74/860996974.db2.gz NJAMHUNRSUZAKP-UHFFFAOYSA-N -1 3 384.476 3.609 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364115 861029764 /nfs/dbraw/zinc/02/97/64/861029764.db2.gz CHSWBCIAAIWTKE-UHFFFAOYSA-N -1 3 398.640 3.912 20 0 GHADHM O=C(c1cncc([O-])c1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000599304716 861046928 /nfs/dbraw/zinc/04/69/28/861046928.db2.gz WCNRHYSGPMCMQA-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000730366297 861077921 /nfs/dbraw/zinc/07/79/21/861077921.db2.gz SMDRTCXOUFSXOM-UHFFFAOYSA-N -1 3 378.222 3.567 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)(C(=O)OC)c1ccccc1 ZINC000730421066 861103758 /nfs/dbraw/zinc/10/37/58/861103758.db2.gz RLGTZNWLXUUJKI-QQBSYFJQSA-N -1 3 393.892 3.709 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCC2)c(Cl)cc1Cl ZINC000730557322 861157952 /nfs/dbraw/zinc/15/79/52/861157952.db2.gz XFHOYFCTIUVRAL-JTQLQIEISA-N -1 3 393.336 3.743 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCCO4)cc(Cl)c2O1 ZINC000605492983 863112028 /nfs/dbraw/zinc/11/20/28/863112028.db2.gz QVTPFMRDLGMPHM-NSHDSACASA-N -1 3 395.864 3.626 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(F)c(Cl)c1 ZINC000605615220 863198455 /nfs/dbraw/zinc/19/84/55/863198455.db2.gz VFHHCZZAKGHKGV-MSOLQXFVSA-N -1 3 399.871 3.962 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCOCC1 ZINC000330420028 863201171 /nfs/dbraw/zinc/20/11/71/863201171.db2.gz QQAKKCUOYJNQFJ-ZDUSSCGKSA-N -1 3 396.734 3.586 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482484857 863202193 /nfs/dbraw/zinc/20/21/93/863202193.db2.gz YFEBGOVZPWYQMR-OAHLLOKOSA-N -1 3 377.282 3.975 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000605655901 863218687 /nfs/dbraw/zinc/21/86/87/863218687.db2.gz YEHQJSIMXKEJTC-UHFFFAOYSA-N -1 3 389.458 3.559 20 0 GHADHM CSCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000282561978 863232352 /nfs/dbraw/zinc/23/23/52/863232352.db2.gz STASJWREWOWMIP-UHFFFAOYSA-N -1 3 384.929 3.612 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)C1CCC1 ZINC000160046128 863272032 /nfs/dbraw/zinc/27/20/32/863272032.db2.gz DZCSWTMMXXNCJB-MRVPVSSYSA-N -1 3 397.132 3.679 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)s2)o1 ZINC000182665918 863320920 /nfs/dbraw/zinc/32/09/20/863320920.db2.gz JLMYQYKBLRMZPV-UHFFFAOYSA-N -1 3 376.459 3.940 20 0 GHADHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000733899269 863329724 /nfs/dbraw/zinc/32/97/24/863329724.db2.gz ZUNJAXJYURTNGB-OAHLLOKOSA-N -1 3 396.962 3.619 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OCc2nccn2C)cc1 ZINC000606142875 863406093 /nfs/dbraw/zinc/40/60/93/863406093.db2.gz MMNNOBHFAOQYQD-UHFFFAOYSA-N -1 3 399.516 3.925 20 0 GHADHM COCCS(=O)(=O)[N-]c1ccc(Sc2ccc(OC)cc2)c(Cl)c1 ZINC000606342654 863523193 /nfs/dbraw/zinc/52/31/93/863523193.db2.gz NYTGIMXSQXQTLH-UHFFFAOYSA-N -1 3 387.910 3.888 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1c(C)noc1C ZINC000444205659 863675599 /nfs/dbraw/zinc/67/55/99/863675599.db2.gz NKOUNOIHSFFGEC-LBPRGKRZSA-N -1 3 380.363 3.879 20 0 GHADHM Cc1nn(C)c2ncc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc12 ZINC000606530474 863688496 /nfs/dbraw/zinc/68/84/96/863688496.db2.gz IHLLXIIFENQIOI-UHFFFAOYSA-N -1 3 388.427 3.814 20 0 GHADHM COC(=O)COc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000062693139 863755038 /nfs/dbraw/zinc/75/50/38/863755038.db2.gz YBQWRKJDUFXJJA-FPYGCLRLSA-N -1 3 376.792 3.502 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)ccc1OC(C)C ZINC000606827582 863861641 /nfs/dbraw/zinc/86/16/41/863861641.db2.gz ZWDIAFUANGTNDO-SFHVURJKSA-N -1 3 391.489 3.751 20 0 GHADHM O=C(Nc1scnc1C1CC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444311135 863863763 /nfs/dbraw/zinc/86/37/63/863863763.db2.gz INMBZRIIYVFFLZ-UHFFFAOYSA-N -1 3 390.262 3.877 20 0 GHADHM C[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)Sc1ccccc1 ZINC000640294577 881712997 /nfs/dbraw/zinc/71/29/97/881712997.db2.gz FENJTJLPLJNPFW-SNVBAGLBSA-N -1 3 392.834 3.823 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c2ccccc12 ZINC000158893620 863982452 /nfs/dbraw/zinc/98/24/52/863982452.db2.gz ASQRGPJBWPTMAE-UHFFFAOYSA-N -1 3 375.421 3.671 20 0 GHADHM COCCSc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000103446492 863988183 /nfs/dbraw/zinc/98/81/83/863988183.db2.gz DUUHVDQKEODOTC-AWEZNQCLSA-N -1 3 382.485 3.758 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(C)C ZINC000554306675 864095106 /nfs/dbraw/zinc/09/51/06/864095106.db2.gz YDIGTSAIBRXGAF-INIZCTEOSA-N -1 3 377.282 3.797 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1nnc2ccccc2n1 ZINC001124744612 864135602 /nfs/dbraw/zinc/13/56/02/864135602.db2.gz UUPZFEVCBQEGRA-UHFFFAOYSA-N -1 3 378.413 3.669 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCOCC1)c1cc(F)ccc1Cl ZINC000734500425 864255911 /nfs/dbraw/zinc/25/59/11/864255911.db2.gz MEMXERABHBOFND-SFHVURJKSA-N -1 3 383.872 3.925 20 0 GHADHM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000184235579 864268935 /nfs/dbraw/zinc/26/89/35/864268935.db2.gz HROWFBAHLNHRPY-BQYQJAHWSA-N -1 3 387.848 3.915 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000554416231 864289539 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380.835 3.754 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C)c(Cl)cc1Cl ZINC000173115789 864368574 /nfs/dbraw/zinc/36/85/74/864368574.db2.gz NXWUYICZKJXZPW-NSHDSACASA-N -1 3 393.336 3.552 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)c([O-])c1 ZINC000607390614 864382075 /nfs/dbraw/zinc/38/20/75/864382075.db2.gz USPXHYVSDLRBLR-UHFFFAOYSA-N -1 3 398.484 3.922 20 0 GHADHM CCSc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000734801584 864461368 /nfs/dbraw/zinc/46/13/68/864461368.db2.gz PWZIAVXDKZLQHG-UHFFFAOYSA-N -1 3 397.493 3.844 20 0 GHADHM COc1ccc(C[C@@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1OC ZINC000621859360 864490050 /nfs/dbraw/zinc/49/00/50/864490050.db2.gz CSSOGTZONGBVDN-LLVKDONJSA-N -1 3 383.366 3.789 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnn(-c3ccccc3)c1)CC2 ZINC000184478940 864576712 /nfs/dbraw/zinc/57/67/12/864576712.db2.gz IEGHMZFAPUITIF-UHFFFAOYSA-N -1 3 381.457 3.610 20 0 GHADHM O=S(=O)([N-]CC1CCN(c2ccccc2)CC1)c1cccc(Cl)c1F ZINC000480450927 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O=S(=O)([N-]CCCSc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000738344975 865544042 /nfs/dbraw/zinc/54/40/42/865544042.db2.gz FCHYEUAWPBDJNN-UHFFFAOYSA-N -1 3 377.318 3.849 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](COC)c3ccc(F)c(F)c3)nc2)n1 ZINC000302003564 865662198 /nfs/dbraw/zinc/66/21/98/865662198.db2.gz YIXNWGKHKQXHHF-KRWDZBQOSA-N -1 3 386.402 3.884 20 0 GHADHM CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000739012240 865676788 /nfs/dbraw/zinc/67/67/88/865676788.db2.gz ZZUSOYUIUMVKSB-UHFFFAOYSA-N -1 3 395.475 3.558 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](CCc4ccccc4)C3)nc2)n1 ZINC000302117582 865719851 /nfs/dbraw/zinc/71/98/51/865719851.db2.gz DLCDYVRXEWSTFX-HXUWFJFHSA-N -1 3 390.487 3.645 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000739695452 865780364 /nfs/dbraw/zinc/78/03/64/865780364.db2.gz VFRKZOAAPWDZPF-RYUDHWBXSA-N -1 3 399.285 3.787 20 0 GHADHM COc1cc2c(cc1F)ncnc2NCc1ccc([O-])c(Br)c1 ZINC000302522205 865834434 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20 0 GHADHM O=C([N-]c1nc2[nH]ccc2cc1Br)c1nc(Cc2ccccc2)no1 ZINC001192266697 870250914 /nfs/dbraw/zinc/25/09/14/870250914.db2.gz RVVXQRAJUNVSSB-UHFFFAOYSA-N -1 3 398.220 3.503 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000248576607 870508115 /nfs/dbraw/zinc/50/81/15/870508115.db2.gz PJBPPKVBHBSNQM-GQIGUUNPSA-N -1 3 398.528 3.606 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2OC)c1 ZINC000538741347 870510380 /nfs/dbraw/zinc/51/03/80/870510380.db2.gz RLBAHXLSARQLLS-UHFFFAOYSA-N -1 3 398.459 3.678 20 0 GHADHM COc1cc(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)cc(OC)c1[O-] ZINC000617609540 870517044 /nfs/dbraw/zinc/51/70/44/870517044.db2.gz IMBCMYDQUZBPHU-UHFFFAOYSA-N -1 3 382.243 3.915 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000540125675 870550686 /nfs/dbraw/zinc/55/06/86/870550686.db2.gz UMWDLWUIADPSFR-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM O=S(=O)([N-]CCc1nc2ccccc2s1)c1cnc(Cl)c(Cl)c1 ZINC000746411372 870625042 /nfs/dbraw/zinc/62/50/42/870625042.db2.gz NNEWAXDXZDGGEU-UHFFFAOYSA-N -1 3 388.301 3.519 20 0 GHADHM CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@H]1CCCO1 ZINC000234284011 870676566 /nfs/dbraw/zinc/67/65/66/870676566.db2.gz OBFARJOLTZCXOM-SNVBAGLBSA-N -1 3 379.092 3.528 20 0 GHADHM CC(C)N(CC(=O)N1CCCCCC1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000552025042 870702618 /nfs/dbraw/zinc/70/26/18/870702618.db2.gz MDJRNSAXAJREHQ-UHFFFAOYSA-N -1 3 396.491 3.695 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000746435820 870709169 /nfs/dbraw/zinc/70/91/69/870709169.db2.gz JJOZOBKQQBIRFN-UHFFFAOYSA-N -1 3 375.734 3.609 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccnc(F)c2)c(F)c1)c1cnccc1Cl ZINC001192910237 870765325 /nfs/dbraw/zinc/76/53/25/870765325.db2.gz DIHNWIJEOLWKRM-UHFFFAOYSA-N -1 3 395.818 3.554 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000536503884 882441650 /nfs/dbraw/zinc/44/16/50/882441650.db2.gz WCBSJEHEQFTRJC-SNVBAGLBSA-N -1 3 382.873 3.676 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000738211796 870792705 /nfs/dbraw/zinc/79/27/05/870792705.db2.gz YHNRYXXRXOHTDX-HNNXBMFYSA-N -1 3 389.440 3.710 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000738211796 870792715 /nfs/dbraw/zinc/79/27/15/870792715.db2.gz YHNRYXXRXOHTDX-HNNXBMFYSA-N -1 3 389.440 3.710 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c([O-])c1 ZINC000538925711 870937041 /nfs/dbraw/zinc/93/70/41/870937041.db2.gz BKRCVELDRHJEIH-UHFFFAOYSA-N -1 3 385.807 3.660 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001193180635 870956025 /nfs/dbraw/zinc/95/60/25/870956025.db2.gz URRXPXGMRQBWBV-MRXNPFEDSA-N -1 3 397.855 3.622 20 0 GHADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(Cl)cc(Cl)c1Br ZINC001193264088 870986260 /nfs/dbraw/zinc/98/62/60/870986260.db2.gz LYKAZOKIGZLNDG-MRVPVSSYSA-N -1 3 389.098 3.677 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C[C@H]2C[C@H]2C1 ZINC001193340648 871030682 /nfs/dbraw/zinc/03/06/82/871030682.db2.gz CPGUVVSDKYNEBI-MSRIBSCDSA-N -1 3 378.719 3.817 20 0 GHADHM O=C(Nc1ccccc1-c1ccc(Cl)cn1)c1cccc(OCCO)c1[O-] ZINC001193344550 871033936 /nfs/dbraw/zinc/03/39/36/871033936.db2.gz OTKFWJKTBHQFTJ-UHFFFAOYSA-N -1 3 384.819 3.731 20 0 GHADHM Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc([O-])cc2)cs1 ZINC000003532772 871060629 /nfs/dbraw/zinc/06/06/29/871060629.db2.gz IUWJWRZUFCHCMR-UHFFFAOYSA-N -1 3 382.441 3.695 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000617991348 871103845 /nfs/dbraw/zinc/10/38/45/871103845.db2.gz CDZXZAWTLDHGRN-HXUWFJFHSA-N -1 3 394.450 3.748 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCSC1)c1cc(Br)ccc1Cl ZINC001193628373 871198039 /nfs/dbraw/zinc/19/80/39/871198039.db2.gz KHNFNNYWWNDEEZ-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM Cc1ccc2nc(CSCC(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)cn2c1 ZINC000540422005 871240169 /nfs/dbraw/zinc/24/01/69/871240169.db2.gz LGHBQLMQMQKGJU-UHFFFAOYSA-N -1 3 391.500 3.635 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)cc1 ZINC000447262886 871279961 /nfs/dbraw/zinc/27/99/61/871279961.db2.gz GXISUMZVKSAUMS-UHFFFAOYSA-N -1 3 397.456 3.942 20 0 GHADHM O=C(NCc1ccccc1OC1CCOCC1)c1ccc([O-])cc1C(F)(F)F ZINC001193757866 871297371 /nfs/dbraw/zinc/29/73/71/871297371.db2.gz HAWNNMHOURHCLK-UHFFFAOYSA-N -1 3 395.377 3.899 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1 ZINC000447272722 871301053 /nfs/dbraw/zinc/30/10/53/871301053.db2.gz DJAFCMKDXOULNJ-UHFFFAOYSA-N -1 3 379.331 3.513 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2cc(C)cc(C)c2)cc1Cl ZINC000122352807 871303284 /nfs/dbraw/zinc/30/32/84/871303284.db2.gz UMIZQDMNQFBVFJ-UHFFFAOYSA-N -1 3 398.887 3.575 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1F ZINC001193796333 871309857 /nfs/dbraw/zinc/30/98/57/871309857.db2.gz TVSBKPOMNSHZRF-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)c1c(C)cc(O)cc1[O-] ZINC001193928436 871374251 /nfs/dbraw/zinc/37/42/51/871374251.db2.gz CLROKZSYCCVWCC-MSOLQXFVSA-N -1 3 383.444 3.705 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC001193929585 871375274 /nfs/dbraw/zinc/37/52/74/871375274.db2.gz JFONOYWRLIKVMG-KBMXLJTQSA-N -1 3 375.465 3.521 20 0 GHADHM Nc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1F ZINC001193934529 871378027 /nfs/dbraw/zinc/37/80/27/871378027.db2.gz GJSZXNKWARHVLO-UHFFFAOYSA-N -1 3 379.638 3.625 20 0 GHADHM O=C(NCC1CCC2(CC2)CC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001169267967 871379833 /nfs/dbraw/zinc/37/98/33/871379833.db2.gz AMERHSYPCMFATA-UHFFFAOYSA-N -1 3 389.293 3.991 20 0 GHADHM COC(=O)c1c(C)c(Br)ccc1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193936595 871380895 /nfs/dbraw/zinc/38/08/95/871380895.db2.gz PARDDZWYHDOADN-UHFFFAOYSA-N -1 3 394.221 3.516 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCN(C(C)(C)C)CC3)n2)cc1 ZINC000525752503 871382537 /nfs/dbraw/zinc/38/25/37/871382537.db2.gz YTRAAZLANHYRIC-UHFFFAOYSA-N -1 3 384.524 3.648 20 0 GHADHM Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2c(C)cc(O)cc2[O-])C3)c1 ZINC001193923080 871395189 /nfs/dbraw/zinc/39/51/89/871395189.db2.gz ZGFSQLQTWFSUFO-JPYJTQIMSA-N -1 3 396.487 3.569 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000525775701 871416415 /nfs/dbraw/zinc/41/64/15/871416415.db2.gz QDNUWLNFXSHLFU-UHFFFAOYSA-N -1 3 378.428 3.665 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](CCO)c1cccc2ccccc21 ZINC001169423641 871478695 /nfs/dbraw/zinc/47/86/95/871478695.db2.gz HKVLSVINYCAORW-GOSISDBHSA-N -1 3 375.432 3.564 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](CCO)c1cccc2ccccc21 ZINC001169423641 871478706 /nfs/dbraw/zinc/47/87/06/871478706.db2.gz HKVLSVINYCAORW-GOSISDBHSA-N -1 3 375.432 3.564 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000804325041 871526452 /nfs/dbraw/zinc/52/64/52/871526452.db2.gz OFMGYPYKPODWKM-KSSFIOAISA-N -1 3 377.444 3.957 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3NC(=O)c3cccs3)n[n-]2)o1 ZINC000181875763 871578967 /nfs/dbraw/zinc/57/89/67/871578967.db2.gz FXJZKVSUBHVWID-UHFFFAOYSA-N -1 3 393.428 3.939 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000447444727 871603238 /nfs/dbraw/zinc/60/32/38/871603238.db2.gz ZSKJCWDHABLWDC-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000447444727 871603247 /nfs/dbraw/zinc/60/32/47/871603247.db2.gz ZSKJCWDHABLWDC-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C2CC2)s1 ZINC000462106789 871604315 /nfs/dbraw/zinc/60/43/15/871604315.db2.gz ZGIKDHQSVWHBHT-LLVKDONJSA-N -1 3 382.454 3.961 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1noc2c1CC(C)(C)CC2 ZINC001194325564 871622652 /nfs/dbraw/zinc/62/26/52/871622652.db2.gz IJIRRCUNUOPQEX-UHFFFAOYSA-N -1 3 392.452 3.862 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-][C@@H](C3CCC3)C(F)(F)F)cc12 ZINC001194389680 871665172 /nfs/dbraw/zinc/66/51/72/871665172.db2.gz XNUOPTMEARTZQJ-ZDUSSCGKSA-N -1 3 394.802 3.603 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)nc2)cc1F ZINC001194391837 871667698 /nfs/dbraw/zinc/66/76/98/871667698.db2.gz RLPSMNJSMJYCIB-VIFPVBQESA-N -1 3 380.338 3.727 20 0 GHADHM CC1CCC(=CC(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC001169611042 871705153 /nfs/dbraw/zinc/70/51/53/871705153.db2.gz HEJOZLFGONDSCR-UHFFFAOYSA-N -1 3 376.258 3.704 20 0 GHADHM CC1CCC(=CC(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC001169611042 871705169 /nfs/dbraw/zinc/70/51/69/871705169.db2.gz HEJOZLFGONDSCR-UHFFFAOYSA-N -1 3 376.258 3.704 20 0 GHADHM Cc1cc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)oc2c(Br)c1 ZINC000182003722 871739789 /nfs/dbraw/zinc/73/97/89/871739789.db2.gz GRTFDTGOPVNXLY-GFCCVEGCSA-N -1 3 398.216 3.860 20 0 GHADHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000766796820 871791139 /nfs/dbraw/zinc/79/11/39/871791139.db2.gz XRUBUMXUZFYPPC-NTMALXAHSA-N -1 3 398.267 3.958 20 0 GHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525968111 871817136 /nfs/dbraw/zinc/81/71/36/871817136.db2.gz GTRDVOFLBAMMAD-MRXNPFEDSA-N -1 3 382.489 3.984 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H]1C ZINC000618653061 871822362 /nfs/dbraw/zinc/82/23/62/871822362.db2.gz MISLTURNLYNYGB-DVOMOZLQSA-N -1 3 393.484 3.509 20 0 GHADHM COc1cccc(-c2cc(C(F)(F)F)c(NCc3ncccc3[O-])nn2)c1 ZINC001169731951 871827466 /nfs/dbraw/zinc/82/74/66/871827466.db2.gz UNHCYTFUNDGRAL-UHFFFAOYSA-N -1 3 376.338 3.884 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(Cc2ccccc2F)cn1 ZINC001194628537 871836347 /nfs/dbraw/zinc/83/63/47/871836347.db2.gz JFVUVKZIMMPOQA-UHFFFAOYSA-N -1 3 390.212 3.791 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(Cl)nc1C(F)(F)F ZINC000766822548 871845901 /nfs/dbraw/zinc/84/59/01/871845901.db2.gz ZMNFJTHCHQBQMV-UHFFFAOYSA-N -1 3 390.696 3.962 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000133897564 882554961 /nfs/dbraw/zinc/55/49/61/882554961.db2.gz UCJZLESBZRLIHF-LJQANCHMSA-N -1 3 381.476 3.921 20 0 GHADHM Cc1noc([C@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000552057420 871949272 /nfs/dbraw/zinc/94/92/72/871949272.db2.gz UCVGDTCXXVNHIT-GFCCVEGCSA-N -1 3 383.433 3.685 20 0 GHADHM NC(=O)c1sc(-c2ccsc2)cc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194770793 871952168 /nfs/dbraw/zinc/95/21/68/871952168.db2.gz PVXDMRGBEFHGQG-UHFFFAOYSA-N -1 3 386.380 3.570 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(I)c(F)c2)c1[O-] ZINC000552069138 871976273 /nfs/dbraw/zinc/97/62/73/871976273.db2.gz DJPJNEJIKUITJC-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001194851029 871985771 /nfs/dbraw/zinc/98/57/71/871985771.db2.gz QNHYAUQIEDUWLG-QGZVFWFLSA-N -1 3 383.872 3.865 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(C)c1C ZINC001194864301 871994631 /nfs/dbraw/zinc/99/46/31/871994631.db2.gz LBPOEXKPRAMRCP-UHFFFAOYSA-N -1 3 388.489 3.696 20 0 GHADHM COc1cc(C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)cc(OC)c1[O-] ZINC000618791069 871995579 /nfs/dbraw/zinc/99/55/79/871995579.db2.gz OIFOGLQRNFGQHV-GOSISDBHSA-N -1 3 389.423 3.541 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ncccc2-c2ccccc2)cc1F ZINC001194960609 872057204 /nfs/dbraw/zinc/05/72/04/872057204.db2.gz PXFJVBDAXUKSCS-UHFFFAOYSA-N -1 3 385.420 3.512 20 0 GHADHM CC[N-]S(=O)(=O)c1c(C(=O)OC)sc(C(F)(F)F)c1-c1ccccc1 ZINC001195014787 872073746 /nfs/dbraw/zinc/07/37/46/872073746.db2.gz GBDSQYBAKKEXCK-UHFFFAOYSA-N -1 3 393.408 3.519 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)[n-]1 ZINC000447679960 872088162 /nfs/dbraw/zinc/08/81/62/872088162.db2.gz PGSLUWBVMFNXFY-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)n[n-]1 ZINC000447679960 872088182 /nfs/dbraw/zinc/08/81/82/872088182.db2.gz PGSLUWBVMFNXFY-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CC(C)Nc1cc(Br)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000618885798 872089011 /nfs/dbraw/zinc/08/90/11/872089011.db2.gz RMWATQNCIXFXDM-UHFFFAOYSA-N -1 3 391.269 3.895 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC3CCCCCC3)c2)[n-]1 ZINC000447680922 872089101 /nfs/dbraw/zinc/08/91/01/872089101.db2.gz UDMDAKZNMGGJQK-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC3CCCCCC3)c2)n[n-]1 ZINC000447680922 872089120 /nfs/dbraw/zinc/08/91/20/872089120.db2.gz UDMDAKZNMGGJQK-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCOC[C@@H]3OCc3ccccc3)n[n-]2)o1 ZINC000767012331 872162760 /nfs/dbraw/zinc/16/27/60/872162760.db2.gz XBZDKYULNRRDKA-PMACEKPBSA-N -1 3 382.416 3.509 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCOC[C@@H]3OCc3ccccc3)[n-]n2)o1 ZINC000767012331 872162765 /nfs/dbraw/zinc/16/27/65/872162765.db2.gz XBZDKYULNRRDKA-PMACEKPBSA-N -1 3 382.416 3.509 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195134540 872192383 /nfs/dbraw/zinc/19/23/83/872192383.db2.gz QXNJZFUJXYZIRC-HOTGVXAUSA-N -1 3 388.851 3.740 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195169742 872230298 /nfs/dbraw/zinc/23/02/98/872230298.db2.gz WXKDLSMALJAYAE-UHFFFAOYSA-N -1 3 379.453 3.856 20 0 GHADHM CS(=O)(=O)c1cc(F)c([N-]C(=O)c2cc(Cl)c(Cl)s2)cc1F ZINC001195178646 872239615 /nfs/dbraw/zinc/23/96/15/872239615.db2.gz FSKXZVHNGPNLBZ-UHFFFAOYSA-N -1 3 386.228 3.989 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000526927250 872287469 /nfs/dbraw/zinc/28/74/69/872287469.db2.gz ONTHNYPJSJKZBP-CQSZACIVSA-N -1 3 398.463 3.927 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc([C@@H](C)OC)nc3C)c2)n1 ZINC000175608537 882604251 /nfs/dbraw/zinc/60/42/51/882604251.db2.gz CGSMCTDNKIECCJ-GFCCVEGCSA-N -1 3 398.488 3.724 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000526959031 872357526 /nfs/dbraw/zinc/35/75/26/872357526.db2.gz AZJLMAYLRAXYFC-QGZVFWFLSA-N -1 3 398.488 3.846 20 0 GHADHM Cc1ccc([O-])c(C(=O)NC2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001195335742 872359372 /nfs/dbraw/zinc/35/93/72/872359372.db2.gz OTGJMVQRNOLKCK-UHFFFAOYSA-N -1 3 393.409 3.509 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)c(C)c1 ZINC000767249242 872360141 /nfs/dbraw/zinc/36/01/41/872360141.db2.gz LRNGZQYSPMHNGB-OAGJVSPASA-N -1 3 397.855 3.592 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000526960496 872361781 /nfs/dbraw/zinc/36/17/81/872361781.db2.gz AWRFJNUQUFMJJY-CQSZACIVSA-N -1 3 383.345 3.511 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1 ZINC001195458402 872402189 /nfs/dbraw/zinc/40/21/89/872402189.db2.gz UDOJHRJHTZCOQN-UHFFFAOYSA-N -1 3 376.482 3.621 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1 ZINC001195458402 872402202 /nfs/dbraw/zinc/40/22/02/872402202.db2.gz UDOJHRJHTZCOQN-UHFFFAOYSA-N -1 3 376.482 3.621 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1c(F)cncc1Cl ZINC001195468964 872425196 /nfs/dbraw/zinc/42/51/96/872425196.db2.gz ZRUQZNSHCKMHPW-UHFFFAOYSA-N -1 3 379.800 3.831 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccco1 ZINC000093910931 872476178 /nfs/dbraw/zinc/47/61/78/872476178.db2.gz YRDXJURUTNERON-CYBMUJFWSA-N -1 3 397.884 3.502 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccco1 ZINC000093910930 872476995 /nfs/dbraw/zinc/47/69/95/872476995.db2.gz YRDXJURUTNERON-ZDUSSCGKSA-N -1 3 397.884 3.502 20 0 GHADHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cc(Cl)ccc1Cl ZINC000752526503 882617152 /nfs/dbraw/zinc/61/71/52/882617152.db2.gz RQMODRCMFZCIIB-RNCFNFMXSA-N -1 3 382.309 3.562 20 0 GHADHM Cc1nc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)s1 ZINC000767560175 872613866 /nfs/dbraw/zinc/61/38/66/872613866.db2.gz SLJCSZPCVDXSNS-MRVPVSSYSA-N -1 3 377.491 3.934 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc(C(F)(F)F)n1 ZINC000193597740 883378030 /nfs/dbraw/zinc/37/80/30/883378030.db2.gz ZERNUDZSCZRUOM-UHFFFAOYSA-N -1 3 381.173 3.560 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Br)c3cc(C)oc32)[n-]1 ZINC000619448929 872638409 /nfs/dbraw/zinc/63/84/09/872638409.db2.gz LUCAREJZJFDUJJ-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Br)c3cc(C)oc32)c[n-]1 ZINC000619448929 872638414 /nfs/dbraw/zinc/63/84/14/872638414.db2.gz LUCAREJZJFDUJJ-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)c(Br)c1)c1ccc(O)cc1 ZINC001195795458 872668683 /nfs/dbraw/zinc/66/86/83/872668683.db2.gz AMOAIUZNPUGJOU-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(O)cc2)cccc1NC(=O)OC(C)(C)C ZINC001195810624 872680641 /nfs/dbraw/zinc/68/06/41/872680641.db2.gz KOUQYVDIBNOUEU-UHFFFAOYSA-N -1 3 378.450 3.848 20 0 GHADHM O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccc([O-])cc1 ZINC001195821407 872694135 /nfs/dbraw/zinc/69/41/35/872694135.db2.gz ZYZATGNKMHTWPU-UHFFFAOYSA-N -1 3 392.329 3.911 20 0 GHADHM COc1ccc([C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000182735351 872736289 /nfs/dbraw/zinc/73/62/89/872736289.db2.gz DNBPWEMKQWSWQV-LJQANCHMSA-N -1 3 378.494 3.885 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCOc2ccccc21 ZINC000122538028 882648157 /nfs/dbraw/zinc/64/81/57/882648157.db2.gz GZGGDWXSWBTXAW-ZDUSSCGKSA-N -1 3 391.265 3.520 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667311243 872766266 /nfs/dbraw/zinc/76/62/66/872766266.db2.gz FTVRJSYCGJXDEF-CQSZACIVSA-N -1 3 392.459 3.844 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(F)cc1OC1CCCC1 ZINC000775682126 872812726 /nfs/dbraw/zinc/81/27/26/872812726.db2.gz IVZCZTPOOWYFDJ-UHFFFAOYSA-N -1 3 387.337 3.606 20 0 GHADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)n1 ZINC000767906034 872951541 /nfs/dbraw/zinc/95/15/41/872951541.db2.gz SIMQAMSYLOJIIZ-NRFANRHFSA-N -1 3 377.488 3.789 20 0 GHADHM COCCC[C@H](CNC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cc1 ZINC000552680950 872989019 /nfs/dbraw/zinc/98/90/19/872989019.db2.gz KUBQJHBRBPNMDC-CYBMUJFWSA-N -1 3 390.846 3.691 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000191940073 882674905 /nfs/dbraw/zinc/67/49/05/882674905.db2.gz HDZTWGXRVVNUMR-OCCSQVGLSA-N -1 3 392.249 3.914 20 0 GHADHM CCCCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000552722987 873055066 /nfs/dbraw/zinc/05/50/66/873055066.db2.gz OSLZFVZIHVSGJO-UHFFFAOYSA-N -1 3 396.896 3.719 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[N-]OC/C=C\Cl ZINC000794305412 882682445 /nfs/dbraw/zinc/68/24/45/882682445.db2.gz LDDRMEUWIWZKCS-CUNOHEPWSA-N -1 3 376.884 3.571 20 0 GHADHM CC(C)OCCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000541190081 873085434 /nfs/dbraw/zinc/08/54/34/873085434.db2.gz JZIINDQTDBNFHT-UHFFFAOYSA-N -1 3 388.942 3.947 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(Cl)n1 ZINC001196462543 873144363 /nfs/dbraw/zinc/14/43/63/873144363.db2.gz LLDHCRZJGFZGOU-UHFFFAOYSA-N -1 3 398.872 3.586 20 0 GHADHM Nc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000262421213 873148788 /nfs/dbraw/zinc/14/87/88/873148788.db2.gz DZGXVMSSAIUEIT-LLVKDONJSA-N -1 3 377.318 3.993 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000527499543 873186025 /nfs/dbraw/zinc/18/60/25/873186025.db2.gz JXLRYHUWTQBZHP-GFCCVEGCSA-N -1 3 393.287 3.973 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)n1 ZINC000116004689 873256924 /nfs/dbraw/zinc/25/69/24/873256924.db2.gz FBJBWBRORRXNHI-HUUCEWRRSA-N -1 3 381.382 3.766 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(Br)c2)c1 ZINC001196785735 873359082 /nfs/dbraw/zinc/35/90/82/873359082.db2.gz YUCIQSLYYSPHKW-SNVBAGLBSA-N -1 3 388.258 3.636 20 0 GHADHM COc1ccc(-c2csc3ncnc(NCc4cnc(C)[n-]c4=O)c23)cc1 ZINC000541330760 873381505 /nfs/dbraw/zinc/38/15/05/873381505.db2.gz IXWXXOCDOBWYCH-UHFFFAOYSA-N -1 3 379.445 3.783 20 0 GHADHM COc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc(OC)c1[O-] ZINC000768562815 873389987 /nfs/dbraw/zinc/38/99/87/873389987.db2.gz CPNJFHSZVDHHOT-LJQANCHMSA-N -1 3 393.439 3.540 20 0 GHADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541389854 873462315 /nfs/dbraw/zinc/46/23/15/873462315.db2.gz MNRBDQAWLDCATJ-VIFPVBQESA-N -1 3 378.288 3.559 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2F)c1 ZINC001197116153 873608540 /nfs/dbraw/zinc/60/85/40/873608540.db2.gz VYAVJDCQPPPARR-VOTSOKGWSA-N -1 3 383.828 3.775 20 0 GHADHM CCOc1cc(/C=C(/C(=O)OC)c2ccncc2)cc(Br)c1[O-] ZINC000102827621 873659955 /nfs/dbraw/zinc/65/99/55/873659955.db2.gz QJQQGKSUVXSBDL-MDWZMJQESA-N -1 3 378.222 3.662 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000134150728 882758304 /nfs/dbraw/zinc/75/83/04/882758304.db2.gz XOMROQQOVKGSLV-SFHVURJKSA-N -1 3 394.393 3.548 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)c12 ZINC001197516191 873850139 /nfs/dbraw/zinc/85/01/39/873850139.db2.gz RAIXKTRNSWTCDX-UHFFFAOYSA-N -1 3 396.350 3.749 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)c1ccc(F)cc1F ZINC001197540450 873882919 /nfs/dbraw/zinc/88/29/19/873882919.db2.gz RWNYYHFXIMPAIJ-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000177183656 882770520 /nfs/dbraw/zinc/77/05/20/882770520.db2.gz ZISDNJPCVAQEBO-CQSZACIVSA-N -1 3 377.444 3.886 20 0 GHADHM O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769247945 873922617 /nfs/dbraw/zinc/92/26/17/873922617.db2.gz ADMBTRNHZQQYAL-UHFFFAOYSA-N -1 3 396.516 3.657 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000134233559 882798667 /nfs/dbraw/zinc/79/86/67/882798667.db2.gz FROOFHJEZHDHBC-KRWDZBQOSA-N -1 3 377.444 3.589 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000769597112 874172163 /nfs/dbraw/zinc/17/21/63/874172163.db2.gz HPLGXIIKZNKRGA-SFHVURJKSA-N -1 3 390.842 3.934 20 0 GHADHM C[C@@H](CC(=O)N[N-]C(=O)c1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000130159917 874227071 /nfs/dbraw/zinc/22/70/71/874227071.db2.gz SPWUZAHKOQMJHE-JTQLQIEISA-N -1 3 397.219 3.682 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H]3CCC[C@H]3C)c2)c1 ZINC000769780710 874286427 /nfs/dbraw/zinc/28/64/27/874286427.db2.gz WTYDONRENQLTQE-YJYMSZOUSA-N -1 3 398.459 3.580 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(Cl)cnc1OC(C)C ZINC001203315647 874341579 /nfs/dbraw/zinc/34/15/79/874341579.db2.gz WRHCZYZIGOMMEW-UHFFFAOYSA-N -1 3 394.884 3.883 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1F ZINC000769888969 874353702 /nfs/dbraw/zinc/35/37/02/874353702.db2.gz HCOFGOGNTDJZNN-UHFFFAOYSA-N -1 3 380.441 3.620 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C1CC1 ZINC000541888541 874466686 /nfs/dbraw/zinc/46/66/86/874466686.db2.gz BVVCKQDHVGBDOD-KBXCAEBGSA-N -1 3 396.491 3.680 20 0 GHADHM Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c1C ZINC001198538016 874468370 /nfs/dbraw/zinc/46/83/70/874468370.db2.gz UIVFCELZDVIMMO-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccsc1 ZINC000669918537 874526618 /nfs/dbraw/zinc/52/66/18/874526618.db2.gz JDYHGLRJNHGZAZ-VIFPVBQESA-N -1 3 377.263 3.843 20 0 GHADHM CC(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)Nc1nccs1 ZINC000770266740 874556506 /nfs/dbraw/zinc/55/65/06/874556506.db2.gz BCOHMLAZTZFHNH-CYBMUJFWSA-N -1 3 385.411 3.544 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)c(Cl)c1 ZINC001198710448 874600693 /nfs/dbraw/zinc/60/06/93/874600693.db2.gz RQSAODOXMXQTGH-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1F ZINC001198711505 874600764 /nfs/dbraw/zinc/60/07/64/874600764.db2.gz FNCOFZSZDWUORN-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775912111 874677610 /nfs/dbraw/zinc/67/76/10/874677610.db2.gz XAQSWTXZRGDCDM-ALCCZGGFSA-N -1 3 379.169 3.850 20 0 GHADHM CCCCOc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(Cl)c1 ZINC000770434561 874681667 /nfs/dbraw/zinc/68/16/67/874681667.db2.gz WHZDLKDTAAZMSD-UHFFFAOYSA-N -1 3 395.864 3.694 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C(F)(F)F)c2)c(C)c1 ZINC001198939448 874719188 /nfs/dbraw/zinc/71/91/88/874719188.db2.gz CJCIHIRACOPJMB-UHFFFAOYSA-N -1 3 375.368 3.832 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cc([O-])cc(Cl)c3)cnc21 ZINC001198944014 874740814 /nfs/dbraw/zinc/74/08/14/874740814.db2.gz YFEBUGJQIJVCNI-UHFFFAOYSA-N -1 3 389.839 3.991 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)c2)oc1C ZINC001198994736 874755285 /nfs/dbraw/zinc/75/52/85/874755285.db2.gz VXNDUZHINOKMRT-UHFFFAOYSA-N -1 3 389.419 3.706 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)c2)oc1C ZINC001198994736 874755292 /nfs/dbraw/zinc/75/52/92/874755292.db2.gz VXNDUZHINOKMRT-UHFFFAOYSA-N -1 3 389.419 3.706 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000542620008 882860074 /nfs/dbraw/zinc/86/00/74/882860074.db2.gz YRMTYWSHGIAHOW-UHFFFAOYSA-N -1 3 386.801 3.667 20 0 GHADHM CC[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)c1ccc(NC(C)=O)cc1 ZINC000775933911 874794185 /nfs/dbraw/zinc/79/41/85/874794185.db2.gz RJKDMBDOFCNHRP-INIZCTEOSA-N -1 3 375.808 3.822 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccccc1OC(F)F ZINC000775934707 874794373 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GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C2SCCCS2)cc1 ZINC000121097985 876469838 /nfs/dbraw/zinc/46/98/38/876469838.db2.gz PYLPDEOLGFDOTI-UHFFFAOYSA-N -1 3 383.502 3.988 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C2SCCCS2)cc1 ZINC000121097985 876469843 /nfs/dbraw/zinc/46/98/43/876469843.db2.gz PYLPDEOLGFDOTI-UHFFFAOYSA-N -1 3 383.502 3.988 20 0 GHADHM CCOCc1ccccc1CNC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786141317 876470721 /nfs/dbraw/zinc/47/07/21/876470721.db2.gz KFXBKUVOOWYORA-UHFFFAOYSA-N -1 3 399.468 3.617 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(-c4ccccn4)s3)cc12 ZINC000173734512 876599793 /nfs/dbraw/zinc/59/97/93/876599793.db2.gz AWRFAGLVXOBGPM-UHFFFAOYSA-N -1 3 384.490 3.924 20 0 GHADHM CCCc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cnn1C1CCCC1 ZINC001129612864 883062611 /nfs/dbraw/zinc/06/26/11/883062611.db2.gz KWVFANBBSXNSEP-UHFFFAOYSA-N -1 3 383.431 3.522 20 0 GHADHM CCCc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cnn1C1CCCC1 ZINC001129612864 883062616 /nfs/dbraw/zinc/06/26/16/883062616.db2.gz KWVFANBBSXNSEP-UHFFFAOYSA-N -1 3 383.431 3.522 20 0 GHADHM CC(C)c1ccc(CNCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)cc1 ZINC000850415142 876896362 /nfs/dbraw/zinc/89/63/62/876896362.db2.gz OPTGMRRFXWAHPE-UHFFFAOYSA-N -1 3 386.496 3.620 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)CCOc3ccccc3)cc2)n1 ZINC000174255143 876930234 /nfs/dbraw/zinc/93/02/34/876930234.db2.gz RHSQZLWEACSBBA-HNNXBMFYSA-N -1 3 377.444 3.789 20 0 GHADHM CC1(C)CCc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c2O1 ZINC000530044322 877025702 /nfs/dbraw/zinc/02/57/02/877025702.db2.gz ZZQHSLMFNNOSKW-GOSISDBHSA-N -1 3 394.471 3.739 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2C)c1 ZINC000786886515 877039539 /nfs/dbraw/zinc/03/95/39/877039539.db2.gz IUTJBGUZHTWCIZ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM C[C@H]1C[C@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850576783 877046229 /nfs/dbraw/zinc/04/62/29/877046229.db2.gz RTQFTLHGWNXHFK-GUYCJALGSA-N -1 3 384.480 3.545 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000451032882 877240205 /nfs/dbraw/zinc/24/02/05/877240205.db2.gz WDTCUXMLMPUOQW-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551473370 877259296 /nfs/dbraw/zinc/25/92/96/877259296.db2.gz LRUZORLQIPTDPP-SNVBAGLBSA-N -1 3 392.702 3.995 20 0 GHADHM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000787266226 877304082 /nfs/dbraw/zinc/30/40/82/877304082.db2.gz ZIDRWMKSBUBQME-SZMVWBNQSA-N -1 3 388.508 3.720 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ncccc3F)nc(=O)c2c1C ZINC000451066055 877322198 /nfs/dbraw/zinc/32/21/98/877322198.db2.gz MNPASEMUXJQMHC-VIFPVBQESA-N -1 3 393.465 3.857 20 0 GHADHM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cnc2ccccc2c1C(F)(F)F ZINC000030892205 877418270 /nfs/dbraw/zinc/41/82/70/877418270.db2.gz FLIHFESDMSAHRQ-UHFFFAOYSA-N -1 3 393.752 3.982 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@@H]2CCCc3cc(OC(F)F)ccc32)c2ccccc21 ZINC000746690864 877477897 /nfs/dbraw/zinc/47/78/97/877477897.db2.gz UBDVTSAHYTZETE-ZKTNYTPDSA-N -1 3 384.382 3.566 20 0 GHADHM O=C(OCc1cc(Cl)ccc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787638980 877525235 /nfs/dbraw/zinc/52/52/35/877525235.db2.gz BYNDDSUHCJGYCG-INIZCTEOSA-N -1 3 377.799 3.533 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3sccc32)c1 ZINC000137412777 877543349 /nfs/dbraw/zinc/54/33/49/877543349.db2.gz XGPMRNZHMWDSIZ-INIZCTEOSA-N -1 3 397.456 3.810 20 0 GHADHM O=c1ccnc(C(=Cc2cc(Cl)c3c(c2)OCCO3)Cc2ccccc2)[n-]1 ZINC000477409267 877579869 /nfs/dbraw/zinc/57/98/69/877579869.db2.gz YIFWXDGXZOQCMS-WJDWOHSUSA-N -1 3 380.831 3.978 20 0 GHADHM O=C(NCc1cc(Cl)cc(Br)c1)c1nnc2ccccc2c1[O-] ZINC001299425116 912258726 /nfs/dbraw/zinc/25/87/26/912258726.db2.gz VVUOWOZZTHFFIW-UHFFFAOYSA-N -1 3 392.640 3.681 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787847542 877666441 /nfs/dbraw/zinc/66/64/41/877666441.db2.gz HCBDJBZDUJGJSP-CQSZACIVSA-N -1 3 387.407 3.627 20 0 GHADHM CC(C)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@H]1C ZINC000787847076 877666678 /nfs/dbraw/zinc/66/66/78/877666678.db2.gz ZLNCRAFDPKCNKN-QRWLVFNGSA-N -1 3 379.472 3.823 20 0 GHADHM Cc1ccc([C@@H](NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000787851384 877671095 /nfs/dbraw/zinc/67/10/95/877671095.db2.gz YOWGIOFUJRHMMY-HSZRJFAPSA-N -1 3 399.462 3.973 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c(C)o1 ZINC000477551888 877836361 /nfs/dbraw/zinc/83/63/61/877836361.db2.gz LSPNIXHLIUCMCB-UHFFFAOYSA-N -1 3 388.445 3.625 20 0 GHADHM O=C(Cc1c[nH]c2ccccc12)C(=O)Nc1cc(OC(F)(F)F)ccc1[O-] ZINC001183098965 912280925 /nfs/dbraw/zinc/28/09/25/912280925.db2.gz BSNBTSWZYQBXLI-UHFFFAOYSA-N -1 3 378.306 3.522 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCN(c4ccccc4)[C@H]3C)cc2)n1 ZINC000530497672 877937930 /nfs/dbraw/zinc/93/79/30/877937930.db2.gz LQQUDTJQUAOZRN-JXFKEZNVSA-N -1 3 388.471 3.599 20 0 GHADHM O=C(NCc1nccn1CCc1ccccc1)c1cc2sccc2c([O-])c1 ZINC000788304938 877981796 /nfs/dbraw/zinc/98/17/96/877981796.db2.gz OJGFCOWITKKRDX-UHFFFAOYSA-N -1 3 377.469 3.976 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc2sccc2c([O-])c1 ZINC000788282384 877992647 /nfs/dbraw/zinc/99/26/47/877992647.db2.gz XIBRNOHAWVUDNN-KRWDZBQOSA-N -1 3 382.441 3.977 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1OC1CCCC1 ZINC000788480181 878091475 /nfs/dbraw/zinc/09/14/75/878091475.db2.gz FXARNCNGGGSJKH-UHFFFAOYSA-N -1 3 390.505 3.883 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1csc(Cl)c1 ZINC000615772133 878104196 /nfs/dbraw/zinc/10/41/96/878104196.db2.gz BSJZTEALMRDHSZ-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000451609722 878229618 /nfs/dbraw/zinc/22/96/18/878229618.db2.gz QQKPMERZBUDCOS-UHFFFAOYSA-N -1 3 393.253 3.711 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000176389643 878242936 /nfs/dbraw/zinc/24/29/36/878242936.db2.gz XIOOQZHOXNXVHD-KRWDZBQOSA-N -1 3 398.356 3.833 20 0 GHADHM O=S(=O)([N-]CCCC1CCOCC1)c1c(Cl)cccc1Br ZINC000451615787 878250328 /nfs/dbraw/zinc/25/03/28/878250328.db2.gz XEOHXGHBWHAAMM-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451788145 878475407 /nfs/dbraw/zinc/47/54/07/878475407.db2.gz OBSHXGDHQCBQKY-UHFFFAOYSA-N -1 3 384.832 3.645 20 0 GHADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000460823967 878625977 /nfs/dbraw/zinc/62/59/77/878625977.db2.gz MKRVHQPCTJLAPC-HNNXBMFYSA-N -1 3 379.478 3.693 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000177570594 878759974 /nfs/dbraw/zinc/75/99/74/878759974.db2.gz GCLYILCJONGLKC-UHFFFAOYSA-N -1 3 375.377 3.867 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](CC)c2nc(C(F)(F)F)cs2)s1 ZINC000460892489 878789077 /nfs/dbraw/zinc/78/90/77/878789077.db2.gz FJTPPFCLKSJITC-SSDOTTSWSA-N -1 3 385.458 3.610 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C1CCCC1 ZINC000452000276 878832120 /nfs/dbraw/zinc/83/21/20/878832120.db2.gz YJPIFNYJVAUFEX-AWEZNQCLSA-N -1 3 376.881 3.685 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1cc(F)ccc1Cl ZINC000452074926 878901357 /nfs/dbraw/zinc/90/13/57/878901357.db2.gz BCCVFLKUQWWJCJ-HNNXBMFYSA-N -1 3 389.901 3.723 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000177941819 878923773 /nfs/dbraw/zinc/92/37/73/878923773.db2.gz NUQQTNSFXWMORR-UHFFFAOYSA-N -1 3 386.926 3.750 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Br)cc2F)c(=O)[n-]1 ZINC000285721997 912406543 /nfs/dbraw/zinc/40/65/43/912406543.db2.gz HRRKEFVYTQUHSB-VIFPVBQESA-N -1 3 396.260 3.511 20 0 GHADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1S(=O)(=O)C1CCCC1 ZINC000452141658 879020929 /nfs/dbraw/zinc/02/09/29/879020929.db2.gz VNFVCCBWIFAUEP-UHFFFAOYSA-N -1 3 391.464 3.737 20 0 GHADHM O=C(Nc1cccc(CSc2ccccn2)c1)c1nnc2ccccc2c1[O-] ZINC000111588428 879277979 /nfs/dbraw/zinc/27/79/79/879277979.db2.gz GTHLBHVDWNVRNV-UHFFFAOYSA-N -1 3 388.452 3.863 20 0 GHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2[nH]1 ZINC000531195370 879309205 /nfs/dbraw/zinc/30/92/05/879309205.db2.gz ZTRRDHGELFFKSO-UHFFFAOYSA-N -1 3 386.433 3.553 20 0 GHADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2[nH]1 ZINC000531195370 879309224 /nfs/dbraw/zinc/30/92/24/879309224.db2.gz ZTRRDHGELFFKSO-UHFFFAOYSA-N -1 3 386.433 3.553 20 0 GHADHM Cc1cc(C)c(N2CC[C@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2=O)c(C)c1 ZINC000789893980 879341850 /nfs/dbraw/zinc/34/18/50/879341850.db2.gz CZMCHRYNZGBUGQ-IBGZPJMESA-N -1 3 398.478 3.701 20 0 GHADHM Cc1nc(CNC(=O)CCCc2ccc([O-])c(F)c2)sc1Br ZINC000452397955 879385247 /nfs/dbraw/zinc/38/52/47/879385247.db2.gz LXJIZXYGFPGNRJ-UHFFFAOYSA-N -1 3 387.274 3.698 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Cl)nc1C(F)(F)F ZINC000790005562 879389858 /nfs/dbraw/zinc/38/98/58/879389858.db2.gz OZMAPFFLQFKGMG-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2nccc3cc(F)ccc32)n1 ZINC000853975170 879412431 /nfs/dbraw/zinc/41/24/31/879412431.db2.gz DVOBDEICECSPGE-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM CCCCOc1ccc(-c2nnc(CSc3nc4nncc-4c(O)[n-]3)o2)cc1 ZINC000643095714 912462076 /nfs/dbraw/zinc/46/20/76/912462076.db2.gz PFSWCSUSGXDPAU-UHFFFAOYSA-N -1 3 398.448 3.580 20 0 GHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000007418537 879548090 /nfs/dbraw/zinc/54/80/90/879548090.db2.gz VBZXXFCRORBSLI-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790228209 879560204 /nfs/dbraw/zinc/56/02/04/879560204.db2.gz LWKFLXIZFQRFRB-IUCAKERBSA-N -1 3 384.748 3.665 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)cc(F)c1 ZINC000461345389 879611958 /nfs/dbraw/zinc/61/19/58/879611958.db2.gz BCNACEATTATGJY-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(CC)CC)n1 ZINC000181100855 879718022 /nfs/dbraw/zinc/71/80/22/879718022.db2.gz HWNXUWSSJMGCHR-MRXNPFEDSA-N -1 3 382.464 3.913 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c(Br)c1 ZINC001212296547 879735851 /nfs/dbraw/zinc/73/58/51/879735851.db2.gz DGCUDVFXRXJIME-NXEZZACHSA-N -1 3 384.698 3.970 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 ZINC000617459961 879822896 /nfs/dbraw/zinc/82/28/96/879822896.db2.gz RUPAOYNJSQPZKF-GOSISDBHSA-N -1 3 382.460 3.561 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000112335278 879894078 /nfs/dbraw/zinc/89/40/78/879894078.db2.gz MPPPJEAJZZMJLT-UHFFFAOYSA-N -1 3 392.455 3.780 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c2C1 ZINC000854581928 879923484 /nfs/dbraw/zinc/92/34/84/879923484.db2.gz CLQKXSCFJLKLML-UHFFFAOYSA-N -1 3 394.431 3.772 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc(C)c(C)c3)nc21 ZINC000494103042 879925153 /nfs/dbraw/zinc/92/51/53/879925153.db2.gz HBKRSZIWYGPXBV-UHFFFAOYSA-N -1 3 379.416 3.568 20 0 GHADHM CCCn1cc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000174744091 879941413 /nfs/dbraw/zinc/94/14/13/879941413.db2.gz NMIBBLNLAQQYPB-UHFFFAOYSA-N -1 3 383.420 3.624 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(=O)[nH]c2ccc(F)cc21 ZINC000531492603 879964245 /nfs/dbraw/zinc/96/42/45/879964245.db2.gz BYUFOVNSZXASIR-UHFFFAOYSA-N -1 3 377.169 3.800 20 0 GHADHM CC(=O)N[C@H](CC(=O)Nc1c([O-])ccc(Br)c1C)c1cccs1 ZINC000452755740 879979745 /nfs/dbraw/zinc/97/97/45/879979745.db2.gz NRIPLOGICHOWIZ-GFCCVEGCSA-N -1 3 397.294 3.731 20 0 GHADHM CCOC(=O)Cc1cnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC001299448013 912521992 /nfs/dbraw/zinc/52/19/92/912521992.db2.gz KYOFUWZDOWWGMV-UHFFFAOYSA-N -1 3 396.468 3.797 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000183144123 880061555 /nfs/dbraw/zinc/06/15/55/880061555.db2.gz QUJRVXNWUHYNKI-NSHDSACASA-N -1 3 395.425 3.756 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H]1Cc1ccccc1 ZINC000531609846 880182002 /nfs/dbraw/zinc/18/20/02/880182002.db2.gz DLPOMLKTVLDPBK-OAHLLOKOSA-N -1 3 397.272 3.748 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2nc(Br)cs2)c(F)cc1C ZINC000791317034 880350135 /nfs/dbraw/zinc/35/01/35/880350135.db2.gz DDOTXAOKURBEFN-UHFFFAOYSA-N -1 3 387.230 3.782 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C)c(Cl)cc1Cl ZINC000791356684 880367801 /nfs/dbraw/zinc/36/78/01/880367801.db2.gz VMGJULWUKJRZSU-GPCCPHFNSA-N -1 3 393.336 3.599 20 0 GHADHM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc2sccc2c([O-])c1 ZINC000791360636 880370397 /nfs/dbraw/zinc/37/03/97/880370397.db2.gz UJBZROBTGJXPIT-AWEZNQCLSA-N -1 3 386.860 3.796 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000531775120 880463018 /nfs/dbraw/zinc/46/30/18/880463018.db2.gz XQMHZUADEHTTEZ-KRWDZBQOSA-N -1 3 392.455 3.735 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000855552458 880586855 /nfs/dbraw/zinc/58/68/55/880586855.db2.gz OVDKCKFFSICQHU-SFHVURJKSA-N -1 3 392.459 3.563 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000185486483 880595581 /nfs/dbraw/zinc/59/55/81/880595581.db2.gz NNUJSXMULASJDP-KRWDZBQOSA-N -1 3 382.794 3.607 20 0 GHADHM O=C(OC[C@H]1CCCS(=O)(=O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000791980474 880819787 /nfs/dbraw/zinc/81/97/87/880819787.db2.gz XQRMJPMQJCSMAQ-CYBMUJFWSA-N -1 3 394.876 3.694 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)Oc1ccccc1 ZINC000792128726 880927933 /nfs/dbraw/zinc/92/79/33/880927933.db2.gz MCPDJVXWKLHURQ-UHFFFAOYSA-N -1 3 390.439 3.939 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000856135994 880984281 /nfs/dbraw/zinc/98/42/81/880984281.db2.gz IWKCKEJBQHVPLU-CYBMUJFWSA-N -1 3 375.202 3.638 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000792229917 880992089 /nfs/dbraw/zinc/99/20/89/880992089.db2.gz BQVNLCYLONMSKN-PZJWPPBQSA-N -1 3 377.440 3.510 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)[n-]c1-c1ccccc1 ZINC000186855676 881007115 /nfs/dbraw/zinc/00/71/15/881007115.db2.gz FHYFHTBXLOPPCI-UHFFFAOYSA-N -1 3 398.419 3.548 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)nc1-c1ccccc1 ZINC000186855676 881007129 /nfs/dbraw/zinc/00/71/29/881007129.db2.gz FHYFHTBXLOPPCI-UHFFFAOYSA-N -1 3 398.419 3.548 20 0 GHADHM COc1cc(C(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000856319862 881121548 /nfs/dbraw/zinc/12/15/48/881121548.db2.gz VXOGGZIXFFKQOE-QZTJIDSGSA-N -1 3 393.867 3.551 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(N3CCCCC3)n2-c2ccccc2)n1 ZINC000532096082 881131206 /nfs/dbraw/zinc/13/12/06/881131206.db2.gz SCEUJGDAENOLJW-OAHLLOKOSA-N -1 3 396.520 3.915 20 0 GHADHM CCOc1cc(/C=C/c2ncc(C(=O)OC)s2)cc(Br)c1[O-] ZINC000119875276 881196911 /nfs/dbraw/zinc/19/69/11/881196911.db2.gz MPIJXVPZQYOJEJ-SNAWJCMRSA-N -1 3 384.251 3.967 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000532135663 881214469 /nfs/dbraw/zinc/21/44/69/881214469.db2.gz OTQFMBVNJMEICG-OAQYLSRUSA-N -1 3 388.467 3.809 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292407 881220725 /nfs/dbraw/zinc/22/07/25/881220725.db2.gz KHUPJJPAJFFFEB-UHFFFAOYSA-N -1 3 396.747 3.853 20 0 GHADHM CC[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cc(C)ccc1OC ZINC000772800631 881234358 /nfs/dbraw/zinc/23/43/58/881234358.db2.gz URCSYGZUAKAPLM-QGZVFWFLSA-N -1 3 377.462 3.683 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCC2=CCCC2)CC1 ZINC000666957775 883130546 /nfs/dbraw/zinc/13/05/46/883130546.db2.gz FPSSZUPOZDZVIC-UHFFFAOYSA-N -1 3 377.872 3.516 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)ccc2c1 ZINC001129727115 883136399 /nfs/dbraw/zinc/13/63/99/883136399.db2.gz BXIOOIBAWBAVCH-LBPRGKRZSA-N -1 3 391.406 3.910 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)ccc2c1 ZINC001129727115 883136403 /nfs/dbraw/zinc/13/64/03/883136403.db2.gz BXIOOIBAWBAVCH-LBPRGKRZSA-N -1 3 391.406 3.910 20 0 GHADHM CCCc1nc(C(=O)[N-]c2ccnc(Cl)c2F)nn1-c1ccccc1F ZINC001129740610 883169158 /nfs/dbraw/zinc/16/91/58/883169158.db2.gz ZUODKKIYORSRLY-UHFFFAOYSA-N -1 3 377.782 3.799 20 0 GHADHM CCCCCOCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551071492 883233339 /nfs/dbraw/zinc/23/33/39/883233339.db2.gz CLIYTGCMFOOKJH-UHFFFAOYSA-N -1 3 392.257 3.991 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286319458 912690813 /nfs/dbraw/zinc/69/08/13/912690813.db2.gz PXNBUIHNRNYXNF-DYVFJYSZSA-N -1 3 395.377 3.817 20 0 GHADHM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC001129896675 883314153 /nfs/dbraw/zinc/31/41/53/883314153.db2.gz SHCANASOACFPMF-CVEARBPZSA-N -1 3 380.410 3.759 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3ccccc3F)C2)cc1-c1nnn[n-]1 ZINC000825553789 883322067 /nfs/dbraw/zinc/32/20/67/883322067.db2.gz WRBXLLUVBGTVHC-UHFFFAOYSA-N -1 3 396.426 3.932 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3ccccc3F)C2)cc1-c1nn[n-]n1 ZINC000825553789 883322086 /nfs/dbraw/zinc/32/20/86/883322086.db2.gz WRBXLLUVBGTVHC-UHFFFAOYSA-N -1 3 396.426 3.932 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000135365891 883322530 /nfs/dbraw/zinc/32/25/30/883322530.db2.gz HAZVLNQJMUQPIE-SFHVURJKSA-N -1 3 386.879 3.699 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3ccnc(OCc4ccccc4)c3)no1)OCO2 ZINC000761683438 883427532 /nfs/dbraw/zinc/42/75/32/883427532.db2.gz WZFLUAWPNSEDMU-UHFFFAOYSA-N -1 3 389.367 3.812 20 0 GHADHM COc1ccc2c(c1)CN(CCC[N-]C(=O)C(F)(F)F)[C@H](c1ccccc1)C2 ZINC000774659163 912707814 /nfs/dbraw/zinc/70/78/14/912707814.db2.gz DYEWGAQVZYPVAR-IBGZPJMESA-N -1 3 392.421 3.863 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135549152 883439996 /nfs/dbraw/zinc/43/99/96/883439996.db2.gz XVRZSBHFPDRKAN-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135549152 883440001 /nfs/dbraw/zinc/44/00/01/883440001.db2.gz XVRZSBHFPDRKAN-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000135552773 883443725 /nfs/dbraw/zinc/44/37/25/883443725.db2.gz QYELDKJHXNXZCL-UHFFFAOYSA-N -1 3 383.411 3.667 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000135552773 883443728 /nfs/dbraw/zinc/44/37/28/883443728.db2.gz QYELDKJHXNXZCL-UHFFFAOYSA-N -1 3 383.411 3.667 20 0 GHADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000476980743 883499409 /nfs/dbraw/zinc/49/94/09/883499409.db2.gz NSPYXUIBPWSMLF-SECBINFHSA-N -1 3 378.288 3.559 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1C ZINC000476973822 883509737 /nfs/dbraw/zinc/50/97/37/883509737.db2.gz YQHSYWJIBSBZNL-UHFFFAOYSA-N -1 3 392.484 3.544 20 0 GHADHM Cn1cc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)c(-c2cccs2)n1 ZINC001130058546 883577588 /nfs/dbraw/zinc/57/75/88/883577588.db2.gz RBPUYGYCERSOTK-UHFFFAOYSA-N -1 3 399.476 3.982 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(Cl)c1 ZINC000135966806 883603708 /nfs/dbraw/zinc/60/37/08/883603708.db2.gz WALPKRPLMCUEOE-UHFFFAOYSA-N -1 3 391.251 3.601 20 0 GHADHM O=C(C[C@H]1C=CCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000186411111 883643164 /nfs/dbraw/zinc/64/31/64/883643164.db2.gz MFZUNFASTNRWAH-AWEZNQCLSA-N -1 3 376.884 3.969 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CCC(C(C)C)CC2)cc1Cl ZINC000477130274 883771739 /nfs/dbraw/zinc/77/17/39/883771739.db2.gz XVHPLAKUHVCTBR-UHFFFAOYSA-N -1 3 390.908 3.931 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@]3(CO)C[C@@H](C)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000477156612 883818542 /nfs/dbraw/zinc/81/85/42/883818542.db2.gz MVQLWBXYBYYCPH-FPTDNZKUSA-N -1 3 398.507 3.856 20 0 GHADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000070108762 883988943 /nfs/dbraw/zinc/98/89/43/883988943.db2.gz BOOPGCPYUUCSJQ-QMMMGPOBSA-N -1 3 397.132 3.679 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000476139241 884078909 /nfs/dbraw/zinc/07/89/09/884078909.db2.gz GEGFBSLAOXZZHF-CYBMUJFWSA-N -1 3 382.313 3.542 20 0 GHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1Br ZINC000859816713 884085701 /nfs/dbraw/zinc/08/57/01/884085701.db2.gz IYMUFKWEQGNDNH-KRWDZBQOSA-N -1 3 376.250 3.608 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000760460224 884109410 /nfs/dbraw/zinc/10/94/10/884109410.db2.gz PUHVIDHSTBQWIT-LLVKDONJSA-N -1 3 390.814 3.876 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3ncc(C(C)(C)C)o3)c2)n1 ZINC000805887586 884209032 /nfs/dbraw/zinc/20/90/32/884209032.db2.gz FSNCEMUJHJQGHG-UHFFFAOYSA-N -1 3 381.432 3.981 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1nccc2cccnc21 ZINC001126665404 884279051 /nfs/dbraw/zinc/27/90/51/884279051.db2.gz QULCNZATGOWZAS-UHFFFAOYSA-N -1 3 381.848 3.978 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)c3ccc(C)cc3)CC2)cc(Cl)c1[O-] ZINC000556270421 884301331 /nfs/dbraw/zinc/30/13/31/884301331.db2.gz GQXSBCRDRZDCNZ-UHFFFAOYSA-N -1 3 388.895 3.711 20 0 GHADHM CCOCCCn1c2ccccc2nc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000102791563 884447576 /nfs/dbraw/zinc/44/75/76/884447576.db2.gz JQWRYHLQBQTAEC-UHFFFAOYSA-N -1 3 390.443 3.557 20 0 GHADHM CN(c1nc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cs1)c1ccccc1 ZINC000860287538 884528629 /nfs/dbraw/zinc/52/86/29/884528629.db2.gz IRPJZYNCSBQLHR-UHFFFAOYSA-N -1 3 382.445 3.641 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Oc3ccc(C)nn3)c2)cc1 ZINC000498481981 884556021 /nfs/dbraw/zinc/55/60/21/884556021.db2.gz RXHJMTSDBVBKTE-UHFFFAOYSA-N -1 3 399.472 3.949 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211633 884635108 /nfs/dbraw/zinc/63/51/08/884635108.db2.gz RIICXNJUCWZGKZ-SECBINFHSA-N -1 3 394.909 3.512 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221390 884643638 /nfs/dbraw/zinc/64/36/38/884643638.db2.gz MFCSOQYMAXGPTG-NSHDSACASA-N -1 3 386.839 3.616 20 0 GHADHM CCc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1 ZINC000008106195 884708835 /nfs/dbraw/zinc/70/88/35/884708835.db2.gz IPZJRJSZXGMBCL-UHFFFAOYSA-N -1 3 379.791 3.622 20 0 GHADHM Cc1cc(C(=O)CO[N-]C(=O)CCCc2ccccc2)c(C)n1Cc1ccco1 ZINC000761847715 884788228 /nfs/dbraw/zinc/78/82/28/884788228.db2.gz BOPBHQBMJXXQJZ-UHFFFAOYSA-N -1 3 394.471 4.000 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000286733875 912873192 /nfs/dbraw/zinc/87/31/92/912873192.db2.gz MWBXZDFSRRWXDK-HNNXBMFYSA-N -1 3 378.428 3.633 20 0 GHADHM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914890840 885115818 /nfs/dbraw/zinc/11/58/18/885115818.db2.gz HOZIESKIGGSOSL-LLVKDONJSA-N -1 3 386.429 3.508 20 0 GHADHM Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)c(C)c1 ZINC000914891740 885119759 /nfs/dbraw/zinc/11/97/59/885119759.db2.gz RXDLDJPYXXLTEY-LBPRGKRZSA-N -1 3 385.445 3.740 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000107130774 885293378 /nfs/dbraw/zinc/29/33/78/885293378.db2.gz FRTOXGMVUUQELO-HNNXBMFYSA-N -1 3 391.471 3.961 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919326495 885336047 /nfs/dbraw/zinc/33/60/47/885336047.db2.gz VPUCVSSXYDFETQ-CQSZACIVSA-N -1 3 381.432 3.575 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919326495 885336066 /nfs/dbraw/zinc/33/60/66/885336066.db2.gz VPUCVSSXYDFETQ-CQSZACIVSA-N -1 3 381.432 3.575 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc4ccccc43)n[n-]2)o1 ZINC000919328149 885342094 /nfs/dbraw/zinc/34/20/94/885342094.db2.gz MUTKORBQJAMKKW-UHFFFAOYSA-N -1 3 375.384 3.927 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc4ccccc43)[n-]n2)o1 ZINC000919328149 885342111 /nfs/dbraw/zinc/34/21/11/885342111.db2.gz MUTKORBQJAMKKW-UHFFFAOYSA-N -1 3 375.384 3.927 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)Nc3ccccc3F)C(C)C)n[n-]2)o1 ZINC000919329581 885348152 /nfs/dbraw/zinc/34/81/52/885348152.db2.gz QKRIHRUYMGLEDR-SFHVURJKSA-N -1 3 385.395 3.937 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)Nc3ccccc3F)C(C)C)[n-]n2)o1 ZINC000919329581 885348172 /nfs/dbraw/zinc/34/81/72/885348172.db2.gz QKRIHRUYMGLEDR-SFHVURJKSA-N -1 3 385.395 3.937 20 0 GHADHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000104254294 885349174 /nfs/dbraw/zinc/34/91/74/885349174.db2.gz XJEIWOIEFVPMRB-UHFFFAOYSA-N -1 3 391.265 3.889 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)n[n-]2)o1 ZINC000919324284 885379329 /nfs/dbraw/zinc/37/93/29/885379329.db2.gz FPKJPVRJBOCTBH-UHFFFAOYSA-N -1 3 381.432 3.572 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)[n-]n2)o1 ZINC000919324284 885379349 /nfs/dbraw/zinc/37/93/49/885379349.db2.gz FPKJPVRJBOCTBH-UHFFFAOYSA-N -1 3 381.432 3.572 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCCC2CCC2)CC1 ZINC000666613587 885534111 /nfs/dbraw/zinc/53/41/11/885534111.db2.gz CRPYWJSFVWOMJA-UHFFFAOYSA-N -1 3 393.915 3.986 20 0 GHADHM CC(C)CCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000807577711 885544358 /nfs/dbraw/zinc/54/43/58/885544358.db2.gz ZJHAUDTWZUWRQM-UHFFFAOYSA-N -1 3 380.293 3.637 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C)cc1Cl ZINC000104738197 885593463 /nfs/dbraw/zinc/59/34/63/885593463.db2.gz LBJCCXUOPQBFTL-ZYHUDNBSSA-N -1 3 376.881 3.542 20 0 GHADHM CCN(CC)[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000104834198 885687765 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20 0 GHADHM O=C([N-]c1nncn1Cc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000117861237 886118101 /nfs/dbraw/zinc/11/81/01/886118101.db2.gz FUZKEBSOPXPWLC-UHFFFAOYSA-N -1 3 379.807 3.887 20 0 GHADHM CC(C)CN(CC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000762404238 886154228 /nfs/dbraw/zinc/15/42/28/886154228.db2.gz JMTHVIHGXAVODB-UHFFFAOYSA-N -1 3 386.533 3.657 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c2ccccc21 ZINC000808328211 886261459 /nfs/dbraw/zinc/26/14/59/886261459.db2.gz NATIQCCIGZTYOP-JTQLQIEISA-N -1 3 381.860 3.714 20 0 GHADHM COc1cc(OC)cc([C@H]([N-]c2nc3cc(F)ccc3o2)c2nccn2C)c1 ZINC000114446666 886312113 /nfs/dbraw/zinc/31/21/13/886312113.db2.gz FRWCIQFAGRLFRU-SFHVURJKSA-N -1 3 382.395 3.919 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc(Cl)ccc1Cl ZINC000762520645 886327372 /nfs/dbraw/zinc/32/73/72/886327372.db2.gz FOZIXSLMUKGWCX-MDZLAQPJSA-N -1 3 384.375 3.651 20 0 GHADHM O=S(=O)([N-]Cc1ccco1)c1csc(-c2ccc(Br)cc2)n1 ZINC000499016728 886363000 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391.478 3.691 20 0 GHADHM C[C@H](CCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)CC(C)(C)C ZINC000811906436 890108248 /nfs/dbraw/zinc/10/82/48/890108248.db2.gz CDOGRPKLDLQLTF-KGLIPLIRSA-N -1 3 379.467 3.549 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1C ZINC000916729971 890142040 /nfs/dbraw/zinc/14/20/40/890142040.db2.gz OGGPCJNVHVWTLV-UHFFFAOYSA-N -1 3 398.912 3.540 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC000870171616 890240227 /nfs/dbraw/zinc/24/02/27/890240227.db2.gz UDYHKFAFMPNFQT-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000916832211 890248289 /nfs/dbraw/zinc/24/82/89/890248289.db2.gz MJIRAFXSBAVVCS-IPMKNSEASA-N -1 3 386.448 3.573 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000065063664 890258737 /nfs/dbraw/zinc/25/87/37/890258737.db2.gz DLROYOVHTDXXMT-UHFFFAOYSA-N -1 3 396.318 3.720 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000812327771 890539973 /nfs/dbraw/zinc/53/99/73/890539973.db2.gz STRFTPKEKXVCTO-UHFFFAOYSA-N -1 3 377.210 3.891 20 0 GHADHM Cc1c(Br)cnc(Cl)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184835894 913473527 /nfs/dbraw/zinc/47/35/27/913473527.db2.gz HVAZTSJAGCMFCA-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CC[C@@H](CC(F)F)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315454 890749677 /nfs/dbraw/zinc/74/96/77/890749677.db2.gz CCAWXROWUOMJNH-RYUDHWBXSA-N -1 3 392.368 3.867 20 0 GHADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000065975098 890802012 /nfs/dbraw/zinc/80/20/12/890802012.db2.gz MERGPCTTZSFEIP-UHFFFAOYSA-N -1 3 398.315 3.884 20 0 GHADHM O=c1[n-]c(CN(Cc2ccco2)C[C@H]2CCCO2)nc2c3ccccc3oc21 ZINC000066435903 890949733 /nfs/dbraw/zinc/94/97/33/890949733.db2.gz NTSURQNKPVREKH-OAHLLOKOSA-N -1 3 379.416 3.856 20 0 GHADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1ccc(F)c(C(F)F)c1 ZINC000872004899 891105659 /nfs/dbraw/zinc/10/56/59/891105659.db2.gz ORWHDQMJUMLGSW-VIFPVBQESA-N -1 3 390.330 3.802 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)cc1 ZINC000067124295 891200170 /nfs/dbraw/zinc/20/01/70/891200170.db2.gz XUTJGKKAVMIGDQ-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccnc3ncccc32)CC1 ZINC000872415318 891257780 /nfs/dbraw/zinc/25/77/80/891257780.db2.gz HTUXUAGZWCMQJA-UHFFFAOYSA-N -1 3 382.851 3.844 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000872459086 891264493 /nfs/dbraw/zinc/26/44/93/891264493.db2.gz QHHGPKSGNCUEBS-DLUDVSRJSA-N -1 3 395.550 3.540 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825615884 891277619 /nfs/dbraw/zinc/27/76/19/891277619.db2.gz OPJCXKGHXIBVRV-UHFFFAOYSA-N -1 3 397.866 3.724 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825615884 891277634 /nfs/dbraw/zinc/27/76/34/891277634.db2.gz OPJCXKGHXIBVRV-UHFFFAOYSA-N -1 3 397.866 3.724 20 0 GHADHM COC1([C@H](OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C2CCCCC2)CCC1 ZINC000813181925 891346883 /nfs/dbraw/zinc/34/68/83/891346883.db2.gz YQAULGSHNDWTAJ-GOSISDBHSA-N -1 3 395.521 3.733 20 0 GHADHM COc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000813279693 891465543 /nfs/dbraw/zinc/46/55/43/891465543.db2.gz BFWORTNCTXJRPL-UHFFFAOYSA-N -1 3 384.432 3.803 20 0 GHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)C2CC2)no1 ZINC000644951878 913560866 /nfs/dbraw/zinc/56/08/66/913560866.db2.gz BCKFKOHDYLPHSY-SFHVURJKSA-N -1 3 391.880 3.788 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000497539390 891840706 /nfs/dbraw/zinc/84/07/06/891840706.db2.gz XDLNGEAWCDLXGS-UHFFFAOYSA-N -1 3 382.850 3.712 20 0 GHADHM O=C(CCc1cc(Br)ccc1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000128479934 891988134 /nfs/dbraw/zinc/98/81/34/891988134.db2.gz MSBNPZHKUDKNQC-UHFFFAOYSA-N -1 3 379.189 3.538 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)cc1F ZINC001185047443 913623384 /nfs/dbraw/zinc/62/33/84/913623384.db2.gz GILAWSICPKKVRN-SECBINFHSA-N -1 3 393.358 3.614 20 0 GHADHM CCc1cnccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825736296 892122687 /nfs/dbraw/zinc/12/26/87/892122687.db2.gz ZCRRZSPUCHRCRL-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1cnccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825736296 892122700 /nfs/dbraw/zinc/12/27/00/892122700.db2.gz ZCRRZSPUCHRCRL-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CC(C)c1cccc(NC(=S)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000917574382 892231883 /nfs/dbraw/zinc/23/18/83/892231883.db2.gz HUYYLXLPPXNNEF-UHFFFAOYSA-N -1 3 383.517 3.670 20 0 GHADHM O=C1[N-]C(=O)/C(=C/NCc2ccccc2OCc2ccccc2)c2ccccc21 ZINC000917602537 892271710 /nfs/dbraw/zinc/27/17/10/892271710.db2.gz NAHZBLGIFPWZEF-RCCKNPSSSA-N -1 3 384.435 3.666 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)[N-]Oc2ccccc2F)s1 ZINC000874912631 892371790 /nfs/dbraw/zinc/37/17/90/892371790.db2.gz NAGBPEMSLUSYOJ-UHFFFAOYSA-N -1 3 381.429 3.672 20 0 GHADHM COc1ccccc1[C@H]1CSCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000874924061 892375875 /nfs/dbraw/zinc/37/58/75/892375875.db2.gz MFTLNQWMBFJKHL-QGZVFWFLSA-N -1 3 395.484 3.664 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2cccc(F)c2)c1Cl ZINC000917652057 892379975 /nfs/dbraw/zinc/37/99/75/892379975.db2.gz MXWDJUOTFWZYOH-UHFFFAOYSA-N -1 3 378.252 3.798 20 0 GHADHM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000263088093 892428926 /nfs/dbraw/zinc/42/89/26/892428926.db2.gz HODXJOIOYJSHLS-NQIIRXRSSA-N -1 3 386.536 3.576 20 0 GHADHM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccc(OC2CCCC2)cc1 ZINC000917740727 892454169 /nfs/dbraw/zinc/45/41/69/892454169.db2.gz UDEXNHHWSHMSLH-UHFFFAOYSA-N -1 3 383.473 3.995 20 0 GHADHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000917730556 892475349 /nfs/dbraw/zinc/47/53/49/892475349.db2.gz FSJQNLXUPMROFW-DHZHZOJOSA-N -1 3 389.473 3.689 20 0 GHADHM CCOC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC1 ZINC000645092854 913669693 /nfs/dbraw/zinc/66/96/93/913669693.db2.gz JUFWVRFQWPNMRZ-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000288147756 913671180 /nfs/dbraw/zinc/67/11/80/913671180.db2.gz BVCZQYZOHITCRH-UHFFFAOYSA-N -1 3 382.432 3.570 20 0 GHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000263318629 892522156 /nfs/dbraw/zinc/52/21/56/892522156.db2.gz JDPPZJGCVHGGPF-AAEUAGOBSA-N -1 3 379.254 3.647 20 0 GHADHM COc1ccc(-n2c(CN3C[C@H](C)C[C@@H](C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000263345409 892532023 /nfs/dbraw/zinc/53/20/23/892532023.db2.gz OMNHVFOWDNOESM-HZPDHXFCSA-N -1 3 379.460 3.577 20 0 GHADHM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000814304474 892533290 /nfs/dbraw/zinc/53/32/90/892533290.db2.gz VXMMIPAVJCAWTE-CYBMUJFWSA-N -1 3 387.274 3.643 20 0 GHADHM COC(=O)c1sc(-c2ccccc2Cl)cc1[N-]C(=O)c1cnsn1 ZINC000917813022 892595046 /nfs/dbraw/zinc/59/50/46/892595046.db2.gz RIMCEBLKZRAVMM-UHFFFAOYSA-N -1 3 379.850 3.959 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c[n-]1 ZINC000814531944 892832986 /nfs/dbraw/zinc/83/29/86/892832986.db2.gz WRIBRZGNKQRTRD-CQSZACIVSA-N -1 3 392.411 3.652 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000497985911 892888794 /nfs/dbraw/zinc/88/87/94/892888794.db2.gz WMACUTXHQLJQPO-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](CO)c3ccccc3C(F)(F)F)cc(=O)oc12 ZINC000933245707 892974877 /nfs/dbraw/zinc/97/48/77/892974877.db2.gz ITKBUUWPQDWHMR-MRXNPFEDSA-N -1 3 393.361 3.649 20 0 GHADHM OC[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1ccccc1Br ZINC000428653770 893073817 /nfs/dbraw/zinc/07/38/17/893073817.db2.gz ABUUTQVIGQSTNV-SECBINFHSA-N -1 3 395.244 3.609 20 0 GHADHM O=c1[n-]nc(SCc2ccnc(Br)c2)n1CCc1ccccc1 ZINC000814729281 893106780 /nfs/dbraw/zinc/10/67/80/893106780.db2.gz JRDCEVYGJJDBCD-UHFFFAOYSA-N -1 3 391.294 3.676 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4c3cccc4CC)nc21 ZINC001134753236 893289117 /nfs/dbraw/zinc/28/91/17/893289117.db2.gz HYJNCCFCWFGCNO-UHFFFAOYSA-N -1 3 390.443 3.965 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@H]3CCC(C)(C)C3)[n-]c2c(Br)c1 ZINC001134788608 893304535 /nfs/dbraw/zinc/30/45/35/893304535.db2.gz DPLXGQJBYMQSHU-VIFPVBQESA-N -1 3 394.269 3.877 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2cnco2)cc1 ZINC001185238702 913753998 /nfs/dbraw/zinc/75/39/98/913753998.db2.gz HKHRQFXDRKOFNV-MRXNPFEDSA-N -1 3 382.363 3.924 20 0 GHADHM COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cccc([O-])c1F ZINC000129431562 893395613 /nfs/dbraw/zinc/39/56/13/893395613.db2.gz KPHBYGPHSABCHG-UHFFFAOYSA-N -1 3 396.212 3.904 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)nc1C ZINC000459404464 893435939 /nfs/dbraw/zinc/43/59/39/893435939.db2.gz MGZVANHVNCMVCT-CYBMUJFWSA-N -1 3 398.488 3.642 20 0 GHADHM CCCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1 ZINC000187480644 893451654 /nfs/dbraw/zinc/45/16/54/893451654.db2.gz VHKUWIGUGUUGQR-CYBMUJFWSA-N -1 3 376.819 3.745 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1Cl ZINC000129472975 893473669 /nfs/dbraw/zinc/47/36/69/893473669.db2.gz PCYAXHHEWRFPNG-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1cnc([C@@H]2CCCN2CCC(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC000934271547 893513879 /nfs/dbraw/zinc/51/38/79/893513879.db2.gz ASZNRFCNLZXMCQ-SFHVURJKSA-N -1 3 392.459 3.510 20 0 GHADHM CCOc1cc(C(=O)N(C)C)ccc1NCc1cccc([O-])c1Br ZINC000459467335 893584173 /nfs/dbraw/zinc/58/41/73/893584173.db2.gz AXMXOQLNHBIQQG-UHFFFAOYSA-N -1 3 393.281 3.867 20 0 GHADHM CCOc1cc(CN2CCOC[C@H]2c2noc(C(C)C)n2)cc(Cl)c1[O-] ZINC000459481889 893594218 /nfs/dbraw/zinc/59/42/18/893594218.db2.gz OEUORFSXEXFCTE-AWEZNQCLSA-N -1 3 381.860 3.524 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccc(C)c(C)c3)nc21 ZINC001134937153 893643306 /nfs/dbraw/zinc/64/33/06/893643306.db2.gz KGVBDHBAOBOZOE-UHFFFAOYSA-N -1 3 381.432 3.764 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000825971850 893645799 /nfs/dbraw/zinc/64/57/99/893645799.db2.gz PCXRQMSYFNUMJZ-FQEVSTJZSA-N -1 3 390.491 3.940 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000825971850 893645806 /nfs/dbraw/zinc/64/58/06/893645806.db2.gz PCXRQMSYFNUMJZ-FQEVSTJZSA-N -1 3 390.491 3.940 20 0 GHADHM O=c1cc(CN2CCC(Oc3cncc(Cl)c3)CC2)nc(-c2ccccc2)[n-]1 ZINC000563362652 893663378 /nfs/dbraw/zinc/66/33/78/893663378.db2.gz GORVSPROWYBAPV-UHFFFAOYSA-N -1 3 396.878 3.941 20 0 GHADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cccc([O-])c1Br ZINC000459569805 893836926 /nfs/dbraw/zinc/83/69/26/893836926.db2.gz YZQPPGNRQYUDER-GFCCVEGCSA-N -1 3 391.313 3.981 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000154743441 893859805 /nfs/dbraw/zinc/85/98/05/893859805.db2.gz VQTHNJVJBJQZPY-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878261369 894137527 /nfs/dbraw/zinc/13/75/27/894137527.db2.gz ILMHHECQWXALQN-IBGZPJMESA-N -1 3 393.491 3.523 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c[n-]1 ZINC000816052078 894423274 /nfs/dbraw/zinc/42/32/74/894423274.db2.gz OLBAHXOBWRSHKS-LBPRGKRZSA-N -1 3 388.420 3.606 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c[n-]1 ZINC000816052077 894423477 /nfs/dbraw/zinc/42/34/77/894423477.db2.gz OLBAHXOBWRSHKS-GFCCVEGCSA-N -1 3 388.420 3.606 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)[n-]1 ZINC001185451165 913875129 /nfs/dbraw/zinc/87/51/29/913875129.db2.gz YLDVWMOYHKSYNO-UHFFFAOYSA-N -1 3 385.370 3.635 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c[n-]1 ZINC001185451165 913875145 /nfs/dbraw/zinc/87/51/45/913875145.db2.gz YLDVWMOYHKSYNO-UHFFFAOYSA-N -1 3 385.370 3.635 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000878701816 894522289 /nfs/dbraw/zinc/52/22/89/894522289.db2.gz WZDJSGHYKQODDR-OAHLLOKOSA-N -1 3 397.397 3.623 20 0 GHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(OCc2cccc(C)c2)c1 ZINC000564060120 894533906 /nfs/dbraw/zinc/53/39/06/894533906.db2.gz UGUZKQZUAJUVNN-UHFFFAOYSA-N -1 3 391.489 3.515 20 0 GHADHM CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cccc([O-])c2Cl)cn1 ZINC000816590893 894935306 /nfs/dbraw/zinc/93/53/06/894935306.db2.gz OFGAAGRRMPEVCD-HXUWFJFHSA-N -1 3 385.895 3.998 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(Br)cc1 ZINC000023345521 895083415 /nfs/dbraw/zinc/08/34/15/895083415.db2.gz XZPHVBHWLUTMGW-UHFFFAOYSA-N -1 3 379.235 3.787 20 0 GHADHM O=c1[n-]cnc2c1CN(c1nc(-c3ccccc3C(F)(F)F)cs1)CC2 ZINC000564583769 895099172 /nfs/dbraw/zinc/09/91/72/895099172.db2.gz VAKNFUMBOYSSTM-UHFFFAOYSA-N -1 3 378.379 3.887 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1OC ZINC000564722189 895209651 /nfs/dbraw/zinc/20/96/51/895209651.db2.gz FFHAYTPQAKERLP-LSDHHAIUSA-N -1 3 395.525 3.547 20 0 GHADHM COCCCCN(Cc1ccccc1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826156160 895660556 /nfs/dbraw/zinc/66/05/56/895660556.db2.gz RQUSCZPGRZXCRH-UHFFFAOYSA-N -1 3 386.887 3.657 20 0 GHADHM COCCCCN(Cc1ccccc1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826156160 895660560 /nfs/dbraw/zinc/66/05/60/895660560.db2.gz RQUSCZPGRZXCRH-UHFFFAOYSA-N -1 3 386.887 3.657 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@H](F)C1 ZINC000565487971 895671247 /nfs/dbraw/zinc/67/12/47/895671247.db2.gz ILYBGHXGVYADII-VIFPVBQESA-N -1 3 387.636 3.518 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)[nH][n-]2)c1 ZINC000565868080 895945437 /nfs/dbraw/zinc/94/54/37/895945437.db2.gz ZLMPKKCFQKGPRF-UHFFFAOYSA-N -1 3 397.500 3.550 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N[C@@H](C)C3CCN(CC(F)(F)F)CC3)c2c1 ZINC000565895718 895964743 /nfs/dbraw/zinc/96/47/43/895964743.db2.gz VQJFIFUVPAUPKG-ZDUSSCGKSA-N -1 3 395.425 3.738 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Br)cc1C ZINC001185680620 914039080 /nfs/dbraw/zinc/03/90/80/914039080.db2.gz YJBRGKUZVSUSRM-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000818816307 896246834 /nfs/dbraw/zinc/24/68/34/896246834.db2.gz PYLRBAOXKXMUKX-WMZOPIPTSA-N -1 3 388.508 3.952 20 0 GHADHM O=C(Nc1nc(CC(F)(F)F)cs1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000566381804 896272795 /nfs/dbraw/zinc/27/27/95/896272795.db2.gz PHHLPAIXKDYBJM-UHFFFAOYSA-N -1 3 389.305 3.620 20 0 GHADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000566491405 896339211 /nfs/dbraw/zinc/33/92/11/896339211.db2.gz URINELBEJYNJGO-UHFFFAOYSA-N -1 3 391.489 3.563 20 0 GHADHM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000566591844 896399291 /nfs/dbraw/zinc/39/92/91/896399291.db2.gz QPHYZAUEBOSTAG-OAQYLSRUSA-N -1 3 388.467 3.509 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(F)F ZINC000645795161 914067900 /nfs/dbraw/zinc/06/79/00/914067900.db2.gz MSQQFYVIYJNDAG-SSDOTTSWSA-N -1 3 376.650 3.672 20 0 GHADHM CSc1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230076 896572355 /nfs/dbraw/zinc/57/23/55/896572355.db2.gz CINFGTZVYVYSJI-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM CSc1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230076 896572361 /nfs/dbraw/zinc/57/23/61/896572361.db2.gz CINFGTZVYVYSJI-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM CSc1ccc(C)c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230072 896572488 /nfs/dbraw/zinc/57/24/88/896572488.db2.gz CFXYIAFFYZBMCD-UHFFFAOYSA-N -1 3 391.504 3.910 20 0 GHADHM CSc1ccc(C)c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230072 896572496 /nfs/dbraw/zinc/57/24/96/896572496.db2.gz CFXYIAFFYZBMCD-UHFFFAOYSA-N -1 3 391.504 3.910 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)N(C)C)cc1 ZINC000819343088 896586952 /nfs/dbraw/zinc/58/69/52/896586952.db2.gz WQCVVDFTWOLFPQ-MRXNPFEDSA-N -1 3 387.530 3.871 20 0 GHADHM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000566813885 896593132 /nfs/dbraw/zinc/59/31/32/896593132.db2.gz JSEZEGMWWZLUAP-GOSISDBHSA-N -1 3 384.480 3.971 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000888913425 896846253 /nfs/dbraw/zinc/84/62/53/896846253.db2.gz FPUYDKFNWUSMJB-IBGZPJMESA-N -1 3 387.501 3.518 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000826285143 896884538 /nfs/dbraw/zinc/88/45/38/896884538.db2.gz QLSMJPRCTXWVMK-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000826285143 896884548 /nfs/dbraw/zinc/88/45/48/896884548.db2.gz QLSMJPRCTXWVMK-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567168910 896931844 /nfs/dbraw/zinc/93/18/44/896931844.db2.gz PWLJACBPVLPJMU-SBHAEUEKSA-N -1 3 392.499 3.839 20 0 GHADHM Cc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000826291038 896991876 /nfs/dbraw/zinc/99/18/76/896991876.db2.gz MOQRUUHNMMJMCT-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000826291038 896991884 /nfs/dbraw/zinc/99/18/84/896991884.db2.gz MOQRUUHNMMJMCT-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC000130463088 897095304 /nfs/dbraw/zinc/09/53/04/897095304.db2.gz FSAOQHXYKDRJRG-UHFFFAOYSA-N -1 3 397.368 3.887 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@@](C(=O)[O-])(c4ccccc4)C3)co2)cc1 ZINC000567596771 897282191 /nfs/dbraw/zinc/28/21/91/897282191.db2.gz PKWSJTVQADOJOT-QHCPKHFHSA-N -1 3 392.455 3.969 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349803 897285889 /nfs/dbraw/zinc/28/58/89/897285889.db2.gz IQMKQXIOMANCQZ-JXFKEZNVSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349803 897285905 /nfs/dbraw/zinc/28/59/05/897285905.db2.gz IQMKQXIOMANCQZ-JXFKEZNVSA-N -1 3 390.491 3.735 20 0 GHADHM O=C(NCCNc1nc(Cl)c(C(F)(F)F)cc1Cl)c1ccc([O-])cc1 ZINC000820629877 897423343 /nfs/dbraw/zinc/42/33/43/897423343.db2.gz OKMKCATZJCECGG-UHFFFAOYSA-N -1 3 394.180 3.955 20 0 GHADHM Cc1ccnc(NCc2cccnc2Oc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826314742 897530650 /nfs/dbraw/zinc/53/06/50/897530650.db2.gz LEDZLWMEJFTXJF-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccnc(NCc2cccnc2Oc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826314742 897530661 /nfs/dbraw/zinc/53/06/61/897530661.db2.gz LEDZLWMEJFTXJF-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1C(=O)NC(C)C ZINC000568239903 897692413 /nfs/dbraw/zinc/69/24/13/897692413.db2.gz WHSSRBBRGVKPBF-UHFFFAOYSA-N -1 3 395.434 3.675 20 0 GHADHM CCN(CC)[C@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821175083 897780159 /nfs/dbraw/zinc/78/01/59/897780159.db2.gz CETPVVOBNNCUCA-KXBFYZLASA-N -1 3 379.464 3.554 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000568541825 897923560 /nfs/dbraw/zinc/92/35/60/897923560.db2.gz ZPPVURBKJIKHKD-UHFFFAOYSA-N -1 3 383.882 3.547 20 0 GHADHM Cc1cnc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])nc1C ZINC001185929481 914209529 /nfs/dbraw/zinc/20/95/29/914209529.db2.gz GGZZFPMQMFBJSH-UHFFFAOYSA-N -1 3 384.480 3.508 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000042996516 898088489 /nfs/dbraw/zinc/08/84/89/898088489.db2.gz GTWODMJSEVLKKX-UHFFFAOYSA-N -1 3 396.715 3.651 20 0 GHADHM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([O-])c(F)c2)NC(=S)N1 ZINC000133074378 898115458 /nfs/dbraw/zinc/11/54/58/898115458.db2.gz WJRXRMKQGIENHI-INIZCTEOSA-N -1 3 391.855 3.616 20 0 GHADHM FC(F)(F)c1cc(SCc2nc(-c3ccoc3)no2)ccc1-c1nnn[n-]1 ZINC000826368186 898167088 /nfs/dbraw/zinc/16/70/88/898167088.db2.gz FZLSUZATUDEWBX-UHFFFAOYSA-N -1 3 394.338 3.821 20 0 GHADHM FC(F)(F)c1cc(SCc2nc(-c3ccoc3)no2)ccc1-c1nn[n-]n1 ZINC000826368186 898167093 /nfs/dbraw/zinc/16/70/93/898167093.db2.gz FZLSUZATUDEWBX-UHFFFAOYSA-N -1 3 394.338 3.821 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)C2)n1 ZINC000826368854 898203613 /nfs/dbraw/zinc/20/36/13/898203613.db2.gz CXXCTZCTCNANQZ-LLVKDONJSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)C2)n1 ZINC000826368854 898203631 /nfs/dbraw/zinc/20/36/31/898203631.db2.gz CXXCTZCTCNANQZ-LLVKDONJSA-N -1 3 397.792 3.577 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000822584653 898510884 /nfs/dbraw/zinc/51/08/84/898510884.db2.gz KLRHTPYHGRSGGA-UHFFFAOYSA-N -1 3 382.386 3.943 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000822584653 898510894 /nfs/dbraw/zinc/51/08/94/898510894.db2.gz KLRHTPYHGRSGGA-UHFFFAOYSA-N -1 3 382.386 3.943 20 0 GHADHM Clc1ccccc1OCc1ccccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822590750 898514972 /nfs/dbraw/zinc/51/49/72/898514972.db2.gz OUZSZITWFPARLB-UHFFFAOYSA-N -1 3 395.850 3.982 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000800068728 898551937 /nfs/dbraw/zinc/55/19/37/898551937.db2.gz GYMSOLNYHWDVQR-XZHRJIJLSA-N -1 3 379.457 3.908 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1sc(N(C)C)nc1Cl)OCCO2 ZINC000822965503 898764129 /nfs/dbraw/zinc/76/41/29/898764129.db2.gz CYAUPABYQWKZCO-UHFFFAOYSA-N -1 3 385.898 3.608 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001136655289 898784588 /nfs/dbraw/zinc/78/45/88/898784588.db2.gz OHZKYQXSLHQECY-UHFFFAOYSA-N -1 3 393.491 3.506 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001136655289 898784601 /nfs/dbraw/zinc/78/46/01/898784601.db2.gz OHZKYQXSLHQECY-UHFFFAOYSA-N -1 3 393.491 3.506 20 0 GHADHM O=S(=O)([N-]CCc1cccc2ccccc21)c1cccnc1C(F)(F)F ZINC000569583598 898807324 /nfs/dbraw/zinc/80/73/24/898807324.db2.gz URBTYXSIHIEUNV-UHFFFAOYSA-N -1 3 380.391 3.775 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000043784668 898944509 /nfs/dbraw/zinc/94/45/09/898944509.db2.gz KPMXUCIDKLBQKT-HXUWFJFHSA-N -1 3 377.419 3.754 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(-c2ccncc2)no1 ZINC000331569379 898991784 /nfs/dbraw/zinc/99/17/84/898991784.db2.gz HDCHWICUNTVEOC-INIZCTEOSA-N -1 3 392.525 3.719 20 0 GHADHM O=C(NC1(c2ccccc2)CCOCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136725782 899046977 /nfs/dbraw/zinc/04/69/77/899046977.db2.gz APBKDQUFBIYEMW-UHFFFAOYSA-N -1 3 382.847 3.617 20 0 GHADHM CO[C@@H](C)c1nc(=N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)s[n-]1 ZINC000509518714 899244701 /nfs/dbraw/zinc/24/47/01/899244701.db2.gz YBOYPZDUXVWTJM-FFZOFVMBSA-N -1 3 394.544 3.748 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000884187337 899281984 /nfs/dbraw/zinc/28/19/84/899281984.db2.gz BHKZSDOLZBXGHS-SKDRFNHKSA-N -1 3 396.734 3.968 20 0 GHADHM O=C([O-])C1(NCc2nc(-c3cc(Cl)ccc3Cl)cs2)CCOCC1 ZINC000570469093 899329319 /nfs/dbraw/zinc/32/93/19/899329319.db2.gz WOUOEJXAXDLTGO-UHFFFAOYSA-N -1 3 387.288 3.840 20 0 GHADHM CC(C)[C@H]1CCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824223410 899466089 /nfs/dbraw/zinc/46/60/89/899466089.db2.gz IGEUQGWCBYDGLQ-OAHLLOKOSA-N -1 3 382.493 3.535 20 0 GHADHM CC(C)C[C@@H]1C[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824243415 899489582 /nfs/dbraw/zinc/48/95/82/899489582.db2.gz FUUCWJUAEAHNIN-CHWSQXEVSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)C[C@@H]1C[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824243415 899489590 /nfs/dbraw/zinc/48/95/90/899489590.db2.gz FUUCWJUAEAHNIN-CHWSQXEVSA-N -1 3 380.290 3.635 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000570698526 899517233 /nfs/dbraw/zinc/51/72/33/899517233.db2.gz ITTHZCXWZGSWQL-UHFFFAOYSA-N -1 3 378.675 3.525 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824319049 899524701 /nfs/dbraw/zinc/52/47/01/899524701.db2.gz DDIDBEUJSAIILK-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824319049 899524712 /nfs/dbraw/zinc/52/47/12/899524712.db2.gz DDIDBEUJSAIILK-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000332318428 899570438 /nfs/dbraw/zinc/57/04/38/899570438.db2.gz PXPOIDJVWYNPFX-UHFFFAOYSA-N -1 3 386.517 3.786 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824393234 899580564 /nfs/dbraw/zinc/58/05/64/899580564.db2.gz QYPLFYLHOUIWTG-RNCFNFMXSA-N -1 3 394.298 3.615 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824393233 899580453 /nfs/dbraw/zinc/58/04/53/899580453.db2.gz QYPLFYLHOUIWTG-NOZJJQNGSA-N -1 3 394.298 3.615 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824393233 899580464 /nfs/dbraw/zinc/58/04/64/899580464.db2.gz QYPLFYLHOUIWTG-NOZJJQNGSA-N -1 3 394.298 3.615 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824393234 899580557 /nfs/dbraw/zinc/58/05/57/899580557.db2.gz QYPLFYLHOUIWTG-RNCFNFMXSA-N -1 3 394.298 3.615 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cccc21 ZINC000570826184 899620703 /nfs/dbraw/zinc/62/07/03/899620703.db2.gz FKZRCXJKKHSELO-FQEVSTJZSA-N -1 3 386.517 3.751 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Br)ccc1OC(F)(F)F ZINC000824461463 899644175 /nfs/dbraw/zinc/64/41/75/899644175.db2.gz WMLKWHDQHIYVFJ-NSHDSACASA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)ccc1OC(F)(F)F ZINC000824461463 899644182 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397.410 3.552 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCO1 ZINC000824864797 899843332 /nfs/dbraw/zinc/84/33/32/899843332.db2.gz FVQMFMXQBOBUSJ-CHWSQXEVSA-N -1 3 397.410 3.552 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824907265 899872834 /nfs/dbraw/zinc/87/28/34/899872834.db2.gz HNOVPEMNCPLJSC-RHSMWYFYSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824907265 899872842 /nfs/dbraw/zinc/87/28/42/899872842.db2.gz HNOVPEMNCPLJSC-RHSMWYFYSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868192 899877212 /nfs/dbraw/zinc/87/72/12/899877212.db2.gz TWNMAUHOHFQFQG-ORAYPTAESA-N -1 3 392.415 3.570 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868192 899877216 /nfs/dbraw/zinc/87/72/16/899877216.db2.gz TWNMAUHOHFQFQG-ORAYPTAESA-N -1 3 392.415 3.570 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000824946135 899901243 /nfs/dbraw/zinc/90/12/43/899901243.db2.gz HWTPMHOWMSZQAY-GTNSWQLSSA-N -1 3 385.830 3.883 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000824946135 899901247 /nfs/dbraw/zinc/90/12/47/899901247.db2.gz HWTPMHOWMSZQAY-GTNSWQLSSA-N -1 3 385.830 3.883 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000571589253 899919626 /nfs/dbraw/zinc/91/96/26/899919626.db2.gz WAPKZOSLDIGODN-ZHRRBRCNSA-N -1 3 383.444 3.595 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001186262131 914397113 /nfs/dbraw/zinc/39/71/13/914397113.db2.gz UMHHGUDYHLWOJZ-BBRMVZONSA-N -1 3 385.501 3.743 20 0 GHADHM CC[C@H](C)n1nc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825082145 899968044 /nfs/dbraw/zinc/96/80/44/899968044.db2.gz QQSVMIYXAPXAKH-VIFPVBQESA-N -1 3 390.904 3.805 20 0 GHADHM CC[C@H](C)n1nc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825082145 899968061 /nfs/dbraw/zinc/96/80/61/899968061.db2.gz QQSVMIYXAPXAKH-VIFPVBQESA-N -1 3 390.904 3.805 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1F)c1ccc2nsnc2c1 ZINC001186263521 914400012 /nfs/dbraw/zinc/40/00/12/914400012.db2.gz VURQZQOICZUKTJ-UHFFFAOYSA-N -1 3 393.343 3.530 20 0 GHADHM CC[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825194972 900040399 /nfs/dbraw/zinc/04/03/99/900040399.db2.gz TYWKGYRLEAGJPR-NSHDSACASA-N -1 3 399.442 3.769 20 0 GHADHM CC[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825194972 900040407 /nfs/dbraw/zinc/04/04/07/900040407.db2.gz TYWKGYRLEAGJPR-NSHDSACASA-N -1 3 399.442 3.769 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000572110703 900072773 /nfs/dbraw/zinc/07/27/73/900072773.db2.gz OOADIIIFKYJASX-UHFFFAOYSA-N -1 3 399.447 3.744 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1[O-] ZINC000572430235 900185247 /nfs/dbraw/zinc/18/52/47/900185247.db2.gz HLWZSLMYSGUDEA-UHFFFAOYSA-N -1 3 378.215 3.731 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000826422802 900248810 /nfs/dbraw/zinc/24/88/10/900248810.db2.gz MSTXBKJDFUHZNY-LENZSSGSSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000826422802 900248820 /nfs/dbraw/zinc/24/88/20/900248820.db2.gz MSTXBKJDFUHZNY-LENZSSGSSA-N -1 3 393.516 3.955 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)sc1Br ZINC000573010503 900341498 /nfs/dbraw/zinc/34/14/98/900341498.db2.gz FELVKFXGWAUHRG-RNCFNFMXSA-N -1 3 388.308 3.620 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826453025 900622486 /nfs/dbraw/zinc/62/24/86/900622486.db2.gz SHHBLMRDSNDPGS-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826453025 900622490 /nfs/dbraw/zinc/62/24/90/900622490.db2.gz SHHBLMRDSNDPGS-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143867019 900639525 /nfs/dbraw/zinc/63/95/25/900639525.db2.gz TYLJSUVEORBAFC-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)c2ccccn2)cc1 ZINC000157629093 900657264 /nfs/dbraw/zinc/65/72/64/900657264.db2.gz VPLGOGNMUFDFFB-HXUWFJFHSA-N -1 3 395.459 3.663 20 0 GHADHM O=c1[n-]c(CN2CCC(Oc3ncccc3F)CC2)nc2c3ccccc3oc21 ZINC000574027043 900747631 /nfs/dbraw/zinc/74/76/31/900747631.db2.gz RFZYKDQFHVMRCV-UHFFFAOYSA-N -1 3 394.406 3.659 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000574234829 900826404 /nfs/dbraw/zinc/82/64/04/900826404.db2.gz BZSNDXVPJUSNPX-XJKSGUPXSA-N -1 3 380.275 3.711 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000574613253 900949883 /nfs/dbraw/zinc/94/98/83/900949883.db2.gz HZIMBDYYEXCAPG-MRXNPFEDSA-N -1 3 388.537 3.636 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(Cl)c1 ZINC000574780486 901010473 /nfs/dbraw/zinc/01/04/73/901010473.db2.gz NTKJPDIDVXFPDV-UHFFFAOYSA-N -1 3 387.798 3.840 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c([O-])c1 ZINC000575687446 901262258 /nfs/dbraw/zinc/26/22/58/901262258.db2.gz XFUULZYHVFQLDC-UZUQRXQVSA-N -1 3 389.455 3.945 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c1 ZINC000122436265 901777916 /nfs/dbraw/zinc/77/79/16/901777916.db2.gz GJXYCNNIXPUFNU-BLVKFPJESA-N -1 3 388.851 3.606 20 0 GHADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000576426277 902012966 /nfs/dbraw/zinc/01/29/66/902012966.db2.gz CZYLTRKMSXPMAJ-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM Cc1nc2ccccc2n1CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000047479200 902058047 /nfs/dbraw/zinc/05/80/47/902058047.db2.gz PJHHMZSGWGPFNB-LLVKDONJSA-N -1 3 396.472 3.564 20 0 GHADHM O=C([O-])c1ccccc1CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000576599720 902118734 /nfs/dbraw/zinc/11/87/34/902118734.db2.gz MRTQQUROOBUSPP-UHFFFAOYSA-N -1 3 377.378 3.556 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144544782 902327815 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C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290358311 914641401 /nfs/dbraw/zinc/64/14/01/914641401.db2.gz MAKLFISZXTWBPA-NVXWUHKLSA-N -1 3 384.442 3.563 20 0 GHADHM Cc1nc(C2([N-]C(=O)C(F)(F)c3ccccc3OC(C)C)CCCC2)no1 ZINC000846796548 903209849 /nfs/dbraw/zinc/20/98/49/903209849.db2.gz KDPXKLMWGDWSMJ-UHFFFAOYSA-N -1 3 379.407 3.843 20 0 GHADHM CCCCCCOCc1cccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC000887691301 903475476 /nfs/dbraw/zinc/47/54/76/903475476.db2.gz GYJCIEHUEPDQGV-UHFFFAOYSA-N -1 3 390.509 3.890 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ccc(Br)cc2)CC1 ZINC001146271362 903484853 /nfs/dbraw/zinc/48/48/53/903484853.db2.gz OZBMVFGIRJQSMQ-UHFFFAOYSA-N -1 3 395.684 3.771 20 0 GHADHM CC(C)Cc1nsc([N-]C(=O)c2ccnc(Cl)c2Br)n1 ZINC001146306612 903504245 /nfs/dbraw/zinc/50/42/45/903504245.db2.gz XUZLHELREORKQI-UHFFFAOYSA-N -1 3 375.679 3.800 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC001146459520 903545079 /nfs/dbraw/zinc/54/50/79/903545079.db2.gz STHTVPLGGNNTJY-UHFFFAOYSA-N -1 3 377.778 3.750 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c1 ZINC000839825654 903671779 /nfs/dbraw/zinc/67/17/79/903671779.db2.gz OYLYTQACHRYJLM-QGZVFWFLSA-N -1 3 378.266 3.523 20 0 GHADHM Cc1ccc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)s1 ZINC000578400702 903806131 /nfs/dbraw/zinc/80/61/31/903806131.db2.gz MNZDRQPSTABUGI-NSHDSACASA-N -1 3 397.909 3.723 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(C(C)(C)C)CC1 ZINC000265350850 903829023 /nfs/dbraw/zinc/82/90/23/903829023.db2.gz KHXLFUPTBDKSGD-UHFFFAOYSA-N -1 3 382.508 3.770 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646684538 914774836 /nfs/dbraw/zinc/77/48/36/914774836.db2.gz AQCMWCQDXRUAIR-LBPRGKRZSA-N -1 3 394.393 3.869 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1OCC1CCOCC1 ZINC000150977526 904051137 /nfs/dbraw/zinc/05/11/37/904051137.db2.gz IVIQKYMJMUDPOO-UHFFFAOYSA-N -1 3 392.455 3.894 20 0 GHADHM CCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC001148498706 904097777 /nfs/dbraw/zinc/09/77/77/904097777.db2.gz LSYBWWAJZXKFMQ-FQEVSTJZSA-N -1 3 392.499 3.711 20 0 GHADHM Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001148499835 904098996 /nfs/dbraw/zinc/09/89/96/904098996.db2.gz DXIVAURADBBETE-SFHVURJKSA-N -1 3 396.487 3.792 20 0 GHADHM COC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148656586 904135211 /nfs/dbraw/zinc/13/52/11/904135211.db2.gz ZBBUPWOSBKFQCS-UHFFFAOYSA-N -1 3 375.446 3.993 20 0 GHADHM COc1cc(C)ccc1OC1CCN(C(=O)c2ccc([O-])c(C(C)=O)c2)CC1 ZINC001148661956 904162438 /nfs/dbraw/zinc/16/24/38/904162438.db2.gz HMWMICZZJANTJC-UHFFFAOYSA-N -1 3 383.444 3.595 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@H](c2ccncc2C(F)(F)F)C2CC2)ccc1[O-] ZINC001148670659 904165558 /nfs/dbraw/zinc/16/55/58/904165558.db2.gz KQMGCKCYGOIFEO-KRWDZBQOSA-N -1 3 378.350 3.890 20 0 GHADHM COc1cccc2c1CC[C@@H](CCCNC(=O)c1ccc([O-])c(C(C)=O)c1)C2 ZINC001148671261 904165582 /nfs/dbraw/zinc/16/55/82/904165582.db2.gz RMADZWWVSAOXDO-MRXNPFEDSA-N -1 3 381.472 3.919 20 0 GHADHM Cc1ccc2nc(-c3ccco3)cc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c2c1 ZINC001148959687 904258273 /nfs/dbraw/zinc/25/82/73/904258273.db2.gz HQZPBTUHKZZGKW-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM O=C(CCc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153529020 904371892 /nfs/dbraw/zinc/37/18/92/904371892.db2.gz MTIXNSXJVWMOOW-UHFFFAOYSA-N -1 3 386.879 3.856 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)C=Cc1cccc(OCc2ccccc2)c1 ZINC001186845698 914820162 /nfs/dbraw/zinc/82/01/62/914820162.db2.gz CGLHPKLOVCCIOK-VAWYXSNFSA-N -1 3 391.427 3.817 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)C=Cc1cccc(OCc2ccccc2)c1 ZINC001186845698 914820173 /nfs/dbraw/zinc/82/01/73/914820173.db2.gz CGLHPKLOVCCIOK-VAWYXSNFSA-N -1 3 391.427 3.817 20 0 GHADHM CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000773191122 904550841 /nfs/dbraw/zinc/55/08/41/904550841.db2.gz WFINPZBSZKYDAV-OAHLLOKOSA-N -1 3 379.460 3.790 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000579553637 904697420 /nfs/dbraw/zinc/69/74/20/904697420.db2.gz AHGPXUCSKKPXSV-UXHICEINSA-N -1 3 392.499 3.697 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c([O-])c1 ZINC000779155278 904786445 /nfs/dbraw/zinc/78/64/45/904786445.db2.gz DETMNQDPQLPGNX-UHFFFAOYSA-N -1 3 375.856 3.643 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CCC[N-]S(=O)(=O)c2ccco2)c1 ZINC001186874741 914845140 /nfs/dbraw/zinc/84/51/40/914845140.db2.gz JSKMHQYUMGGFBU-UHFFFAOYSA-N -1 3 380.466 3.538 20 0 GHADHM CCOC(=O)[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCCCCC1 ZINC001171621298 904886404 /nfs/dbraw/zinc/88/64/04/904886404.db2.gz YEEBOXACWCNZDO-FQEVSTJZSA-N -1 3 383.492 3.841 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1-c1ccccc1 ZINC001186928059 914874900 /nfs/dbraw/zinc/87/49/00/914874900.db2.gz WZHXRJUFUMWGQE-UHFFFAOYSA-N -1 3 394.452 3.658 20 0 GHADHM CC[C@H](C)c1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000626654069 905210496 /nfs/dbraw/zinc/21/04/96/905210496.db2.gz SQUIWLHJMBUYAF-INIZCTEOSA-N -1 3 381.476 3.896 20 0 GHADHM O=C([N-]NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccc(Cl)cc1Cl ZINC000190013120 905481123 /nfs/dbraw/zinc/48/11/23/905481123.db2.gz SMRFWJOJIUYUNB-ZDUSSCGKSA-N -1 3 379.243 3.580 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2[n-]nnc2C(F)(F)F)n1 ZINC001212652976 905482326 /nfs/dbraw/zinc/48/23/26/905482326.db2.gz RDDYPXICXMGQTQ-UHFFFAOYSA-N -1 3 388.147 3.865 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2nn[n-]c2C(F)(F)F)n1 ZINC001212652976 905482335 /nfs/dbraw/zinc/48/23/35/905482335.db2.gz RDDYPXICXMGQTQ-UHFFFAOYSA-N -1 3 388.147 3.865 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(O)c1 ZINC000176628625 905900325 /nfs/dbraw/zinc/90/03/25/905900325.db2.gz SSWASTKDNUUHEB-UHFFFAOYSA-N -1 3 388.851 3.551 20 0 GHADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)o1 ZINC000176627839 905901031 /nfs/dbraw/zinc/90/10/31/905901031.db2.gz GFKOHXKPQTZORZ-UHFFFAOYSA-N -1 3 376.840 3.746 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccnc3c(Br)cccc23)n1 ZINC000628375001 906079453 /nfs/dbraw/zinc/07/94/53/906079453.db2.gz SGSZMJBNMZSIFW-UHFFFAOYSA-N -1 3 387.281 3.826 20 0 GHADHM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000901527149 921204796 /nfs/dbraw/zinc/20/47/96/921204796.db2.gz WLAGYVLCPRFQQU-HNNXBMFYSA-N -1 3 386.452 3.681 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(N2CCOC2=O)ccc1F ZINC000779326896 906190816 /nfs/dbraw/zinc/19/08/16/906190816.db2.gz AKFLBHUISQWBBQ-UHFFFAOYSA-N -1 3 390.421 3.615 20 0 GHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CC1 ZINC000179482564 906510716 /nfs/dbraw/zinc/51/07/16/906510716.db2.gz RSQRSWXVCOFWPQ-QWHCGFSZSA-N -1 3 385.464 3.980 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629217238 906599720 /nfs/dbraw/zinc/59/97/20/906599720.db2.gz AHJIFIALKGEYCD-GFCCVEGCSA-N -1 3 385.493 3.620 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)cc1Cl)C1CC1 ZINC000629284535 906673595 /nfs/dbraw/zinc/67/35/95/906673595.db2.gz ILOKPCARJXWBQO-ZDUSSCGKSA-N -1 3 382.707 3.659 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1)C1CC1 ZINC000629284085 906673771 /nfs/dbraw/zinc/67/37/71/906673771.db2.gz AVDGXZZMJUNIHS-KRWDZBQOSA-N -1 3 391.518 3.620 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cnc(C(F)(F)F)c(C)c1)c1ccc(F)cc1 ZINC000629304435 906693141 /nfs/dbraw/zinc/69/31/41/906693141.db2.gz SKRXPKVNZLFWRE-AWEZNQCLSA-N -1 3 392.374 3.677 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1C ZINC000629332123 906714832 /nfs/dbraw/zinc/71/48/32/906714832.db2.gz FNVYQVIDJJXQOX-LBPRGKRZSA-N -1 3 388.489 3.583 20 0 GHADHM O=C(Nc1ccccc1O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191193618 906731867 /nfs/dbraw/zinc/73/18/67/906731867.db2.gz JBQKFJAZYRKKJJ-UHFFFAOYSA-N -1 3 378.831 3.741 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@H]2CCC[C@H]21 ZINC000629374147 906745737 /nfs/dbraw/zinc/74/57/37/906745737.db2.gz SKHDXUYELOYGAC-ZNMIVQPWSA-N -1 3 395.381 3.831 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000629496875 906830983 /nfs/dbraw/zinc/83/09/83/906830983.db2.gz YNYXCSSYIYECGG-LSTHTHJFSA-N -1 3 386.536 3.690 20 0 GHADHM CCc1ccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000191324765 906875884 /nfs/dbraw/zinc/87/58/84/906875884.db2.gz KCBPYZRERPPTKQ-AWEZNQCLSA-N -1 3 376.497 3.720 20 0 GHADHM COc1ccc([C@@H]2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)cc1F ZINC000629722543 906985892 /nfs/dbraw/zinc/98/58/92/906985892.db2.gz LAZWYORNTYINCJ-CQSZACIVSA-N -1 3 387.455 3.566 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc2c(c1)ncn2C(C)C)OCC ZINC001174381523 907012215 /nfs/dbraw/zinc/01/22/15/907012215.db2.gz JJJGPHFTDXOCNW-UHFFFAOYSA-N -1 3 385.468 3.798 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)c(OC)c2)cc1OC ZINC000630453699 907289269 /nfs/dbraw/zinc/28/92/69/907289269.db2.gz UIQSHHJCENERAY-OAHLLOKOSA-N -1 3 379.840 3.671 20 0 GHADHM COC(=O)c1cc(OC)c(Br)cc1Nc1c(F)ccc([O-])c1F ZINC001175269673 907481969 /nfs/dbraw/zinc/48/19/69/907481969.db2.gz JFBMVMAABMKRDE-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM COCCOCCS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000184521946 907599150 /nfs/dbraw/zinc/59/91/50/907599150.db2.gz ZNZMDGVUMMEEIF-NSHDSACASA-N -1 3 380.491 3.702 20 0 GHADHM CS(=O)(=O)Nc1ccc2cc(Nc3cc(=O)n(-c4ccccc4)[n-]3)ccc2c1 ZINC001175530093 907604389 /nfs/dbraw/zinc/60/43/89/907604389.db2.gz BODYVJRCKIMDGH-UHFFFAOYSA-N -1 3 394.456 3.846 20 0 GHADHM Cc1cc(-c2noc([C@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)ccc1F ZINC000366163000 921338513 /nfs/dbraw/zinc/33/85/13/921338513.db2.gz PVYAJSBIHYXRON-LBPRGKRZSA-N -1 3 392.390 3.517 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c(C)c2)CC1 ZINC000184913275 907678807 /nfs/dbraw/zinc/67/88/07/907678807.db2.gz GBBRPGGOOMNHKK-UHFFFAOYSA-N -1 3 393.409 3.512 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c(C)c1C ZINC000185658332 907807077 /nfs/dbraw/zinc/80/70/77/907807077.db2.gz DDCWPZXSQZOPQX-XMMPIXPASA-N -1 3 379.547 3.908 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](CF)C3)c2)cc1 ZINC001175968619 907844752 /nfs/dbraw/zinc/84/47/52/907844752.db2.gz CZYUKNFTXSOHHN-MRXNPFEDSA-N -1 3 390.480 3.536 20 0 GHADHM O=C(c1ccc(F)c([N-]c2nc3cc(Cl)ccc3o2)c1)N1CCOCC1 ZINC001176244663 908003882 /nfs/dbraw/zinc/00/38/82/908003882.db2.gz XOPILYCVFHSVAU-UHFFFAOYSA-N -1 3 375.787 3.836 20 0 GHADHM COc1cc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)sn1 ZINC001176474418 908125407 /nfs/dbraw/zinc/12/54/07/908125407.db2.gz HSVURULAJATCFA-UHFFFAOYSA-N -1 3 388.474 3.754 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366216683 921385390 /nfs/dbraw/zinc/38/53/90/921385390.db2.gz LQPBCHUORIHITO-RMKNXTFCSA-N -1 3 389.811 3.630 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000366230316 921398336 /nfs/dbraw/zinc/39/83/36/921398336.db2.gz LNGWOSWZRCDSEO-HXUWFJFHSA-N -1 3 392.499 3.800 20 0 GHADHM COc1ccc(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1O ZINC001176963632 908330637 /nfs/dbraw/zinc/33/06/37/908330637.db2.gz JLCSMESIAICCER-UHFFFAOYSA-N -1 3 379.412 3.871 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001177306469 908537065 /nfs/dbraw/zinc/53/70/65/908537065.db2.gz YKTDXPSWJAYGKJ-OAHLLOKOSA-N -1 3 398.459 3.924 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC(CCF)CC1 ZINC000633960115 908559593 /nfs/dbraw/zinc/55/95/93/908559593.db2.gz VBRRDOJOUBMSEK-UHFFFAOYSA-N -1 3 381.245 3.502 20 0 GHADHM COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001177476372 908574786 /nfs/dbraw/zinc/57/47/86/908574786.db2.gz QVXLBCSOALLVMM-MRXNPFEDSA-N -1 3 395.436 3.867 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C[C@H](C)C(C)(C)C)cc1OC ZINC000634550973 908763308 /nfs/dbraw/zinc/76/33/08/908763308.db2.gz VBPUDXFSJACWPA-ZDUSSCGKSA-N -1 3 385.530 3.603 20 0 GHADHM CC(C)c1c(Cc2ccccc2)[n-]n(C2=Nc3c(cnn3C(C)(C)C)CN2)c1=O ZINC000634635736 908784229 /nfs/dbraw/zinc/78/42/29/908784229.db2.gz LWYZGIUNCBUQQQ-SFHVURJKSA-N -1 3 392.507 3.633 20 0 GHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1N1CCCC1 ZINC000193977344 908821520 /nfs/dbraw/zinc/82/15/20/908821520.db2.gz KCIGHHSBJHELDE-FQEVSTJZSA-N -1 3 393.487 3.544 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000779929797 909085106 /nfs/dbraw/zinc/08/51/06/909085106.db2.gz IZTNPPXUPDVISI-OAHLLOKOSA-N -1 3 378.806 3.662 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000635020327 909103675 /nfs/dbraw/zinc/10/36/75/909103675.db2.gz LMWGDBFQYJJUQH-REWPJTCUSA-N -1 3 392.455 3.515 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ncc(Br)[n-]c2=O)c2ccccc12 ZINC001178598618 909133548 /nfs/dbraw/zinc/13/35/48/909133548.db2.gz JCTCIHZGUDOPPQ-UHFFFAOYSA-N -1 3 386.249 3.565 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)n1 ZINC001178700387 909197051 /nfs/dbraw/zinc/19/70/51/909197051.db2.gz WXRIYBXADRUECC-JXMROGBWSA-N -1 3 394.519 3.587 20 0 GHADHM CCc1nc2ccccc2c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1C ZINC001179182434 909398251 /nfs/dbraw/zinc/39/82/51/909398251.db2.gz FBEXDAHHTZOCHQ-JTQLQIEISA-N -1 3 377.370 3.734 20 0 GHADHM COc1cccc(CC2(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)CCCCC2)c1 ZINC000636286708 909518735 /nfs/dbraw/zinc/51/87/35/909518735.db2.gz OWKYSFUJJNJNNY-UHFFFAOYSA-N -1 3 381.476 3.535 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)s1 ZINC000636318235 909535554 /nfs/dbraw/zinc/53/55/54/909535554.db2.gz RDCSSYAVRLCJOP-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM O=C(CCCCC(=O)c1ccc(F)cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320184 909539450 /nfs/dbraw/zinc/53/94/50/909539450.db2.gz IPOGLZNISCIDKK-UHFFFAOYSA-N -1 3 385.439 3.648 20 0 GHADHM CCCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000901722088 921511467 /nfs/dbraw/zinc/51/14/67/921511467.db2.gz NXAVFZQOAYXYFR-BPOBUFBUSA-N -1 3 396.487 3.894 20 0 GHADHM COc1ccc(C[C@@H](C(=O)Nc2ccccc2-c2nnn[n-]2)c2ccccc2)cc1 ZINC001180014305 909884268 /nfs/dbraw/zinc/88/42/68/909884268.db2.gz GLIMIKFIUIXLPM-HXUWFJFHSA-N -1 3 399.454 3.840 20 0 GHADHM COc1ccc(C[C@@H](C(=O)Nc2ccccc2-c2nn[n-]n2)c2ccccc2)cc1 ZINC001180014305 909884277 /nfs/dbraw/zinc/88/42/77/909884277.db2.gz GLIMIKFIUIXLPM-HXUWFJFHSA-N -1 3 399.454 3.840 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccccc2OC(F)F)n1 ZINC000268564726 909930294 /nfs/dbraw/zinc/93/02/94/909930294.db2.gz GPXUSEXIUCLMTH-JTQLQIEISA-N -1 3 383.420 3.606 20 0 GHADHM CCCCCCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1 ZINC000795335938 909954739 /nfs/dbraw/zinc/95/47/39/909954739.db2.gz YMUTYAISUSWQHO-MRXNPFEDSA-N -1 3 383.510 3.592 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)c(=O)[n-]1 ZINC000637746701 909957639 /nfs/dbraw/zinc/95/76/39/909957639.db2.gz DTKVTSLWBZXQJA-HSZRJFAPSA-N -1 3 379.504 3.817 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1c1cccnc1 ZINC000366366205 921538145 /nfs/dbraw/zinc/53/81/45/921538145.db2.gz JILJQUHNYFBGDW-HNNXBMFYSA-N -1 3 376.254 3.596 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Cc1cccc(Br)c1 ZINC000795378039 910102357 /nfs/dbraw/zinc/10/23/57/910102357.db2.gz MDTVSCHGABQLHP-UHFFFAOYSA-N -1 3 378.247 3.961 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1cc(Cl)ccc1Cl ZINC000269307379 910209766 /nfs/dbraw/zinc/20/97/66/910209766.db2.gz DXQXJKNXGLNYQK-GFCCVEGCSA-N -1 3 396.361 3.717 20 0 GHADHM O=C([O-])c1ccc(CNC2CCN(c3ccccc3)CC2)c(Br)c1 ZINC000901781928 921559404 /nfs/dbraw/zinc/55/94/04/921559404.db2.gz YBFJACULSVRREL-UHFFFAOYSA-N -1 3 389.293 3.906 20 0 GHADHM Cc1ccc(COCC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001180842326 910374239 /nfs/dbraw/zinc/37/42/39/910374239.db2.gz DLVMNUQEVNQVRL-UHFFFAOYSA-N -1 3 382.489 3.869 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)COCc3cccc(C)c3)n[n-]2)cc1 ZINC001180844233 910376767 /nfs/dbraw/zinc/37/67/67/910376767.db2.gz UHOZTHQTGOKCPJ-UHFFFAOYSA-N -1 3 382.489 3.869 20 0 GHADHM CC1CCN([C@@H](CNC(=O)Cc2ccccc2C(=O)[O-])c2cccs2)CC1 ZINC000901796453 921575081 /nfs/dbraw/zinc/57/50/81/921575081.db2.gz REWDHTDMKNTBAG-SFHVURJKSA-N -1 3 386.517 3.578 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnn(Cc2ccccc2)c1Cl ZINC000795460494 910430428 /nfs/dbraw/zinc/43/04/28/910430428.db2.gz JIKVFIBSVHTTHN-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM Cc1nc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)sc1C(=O)[O-] ZINC000901799245 921578043 /nfs/dbraw/zinc/57/80/43/921578043.db2.gz RJQKRYOTCFTSMZ-UHFFFAOYSA-N -1 3 382.489 3.919 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC=C(C(F)(F)F)CC1 ZINC000270481304 910584838 /nfs/dbraw/zinc/58/48/38/910584838.db2.gz OEDHIERQJMBWEU-UHFFFAOYSA-N -1 3 379.176 3.559 20 0 GHADHM C[C@@]1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCC[C@@H]1C(=O)[O-] ZINC000901821534 921594579 /nfs/dbraw/zinc/59/45/79/921594579.db2.gz OUUKYBPIALVCRN-CXAGYDPISA-N -1 3 383.279 3.697 20 0 GHADHM O=C(COC(=O)c1cccc(Br)c1[O-])C1(c2ccccc2)CC1 ZINC000795500184 910740224 /nfs/dbraw/zinc/74/02/24/910740224.db2.gz NPPMRAMDEAOSLE-UHFFFAOYSA-N -1 3 375.218 3.612 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnn(CC(C)C)c3C3CC3)c2)n1 ZINC000091862224 911308161 /nfs/dbraw/zinc/30/81/61/911308161.db2.gz OKEUGWIEDISXGL-UHFFFAOYSA-N -1 3 392.459 3.694 20 0 GHADHM CCN(CC)[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC001182220032 911312750 /nfs/dbraw/zinc/31/27/50/911312750.db2.gz HQRPPCTYFMIDRN-KRWDZBQOSA-N -1 3 384.871 3.542 20 0 GHADHM CCN(CC)[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC001182220032 911312772 /nfs/dbraw/zinc/31/27/72/911312772.db2.gz HQRPPCTYFMIDRN-KRWDZBQOSA-N -1 3 384.871 3.542 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](c2ccc(Br)cc2)C(C)C)[n-]1 ZINC001182272990 911384177 /nfs/dbraw/zinc/38/41/77/911384177.db2.gz NBVVMRYIUWFUCR-AWEZNQCLSA-N -1 3 394.269 3.727 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](c2ccc(Br)cc2)C(C)C)c[n-]1 ZINC001182272990 911384196 /nfs/dbraw/zinc/38/41/96/911384196.db2.gz NBVVMRYIUWFUCR-AWEZNQCLSA-N -1 3 394.269 3.727 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(Cl)c1 ZINC000795618958 911435264 /nfs/dbraw/zinc/43/52/64/911435264.db2.gz GCILOAQQJLPTDH-UHFFFAOYSA-N -1 3 389.260 3.593 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000641713060 911493133 /nfs/dbraw/zinc/49/31/33/911493133.db2.gz OSRRHZUHGVVCRT-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000641713060 911493141 /nfs/dbraw/zinc/49/31/41/911493141.db2.gz OSRRHZUHGVVCRT-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM CCCc1nnc([N-]C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)s1 ZINC000283461735 911517250 /nfs/dbraw/zinc/51/72/50/911517250.db2.gz FNADZHZNUILRCP-UHFFFAOYSA-N -1 3 381.383 3.947 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000641980308 911643219 /nfs/dbraw/zinc/64/32/19/911643219.db2.gz XQEVKHNBMINPKR-MRXNPFEDSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000641980308 911643221 /nfs/dbraw/zinc/64/32/21/911643221.db2.gz XQEVKHNBMINPKR-MRXNPFEDSA-N -1 3 399.454 3.864 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2noc3c2CCc2ccccc2-3)c1F ZINC001274713661 911664549 /nfs/dbraw/zinc/66/45/49/911664549.db2.gz LAUWHRXMFNTFDA-UHFFFAOYSA-N -1 3 384.338 3.757 20 0 GHADHM C[C@@H](CN1CCC(n2cc(C(=O)[O-])cn2)CC1)c1cccc(Br)c1 ZINC000901883216 921688523 /nfs/dbraw/zinc/68/85/23/921688523.db2.gz QHJLJDIDWRLRCZ-ZDUSSCGKSA-N -1 3 392.297 3.784 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCCC(=O)[O-] ZINC000284280642 911811850 /nfs/dbraw/zinc/81/18/50/911811850.db2.gz QJGAMGKVDLBGEN-UHFFFAOYSA-N -1 3 376.671 3.764 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cccc(Oc3ccc(F)cc3)c2)n[n-]1 ZINC001182595892 911903283 /nfs/dbraw/zinc/90/32/83/911903283.db2.gz YENJLVUPIWLROU-ZDUSSCGKSA-N -1 3 384.411 3.764 20 0 GHADHM COc1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC000901889811 921700417 /nfs/dbraw/zinc/70/04/17/921700417.db2.gz FGZCAOADFYMZSE-GOSISDBHSA-N -1 3 387.501 3.524 20 0 GHADHM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1cc2c(cc1[O-])OCO2 ZINC001182809107 912058755 /nfs/dbraw/zinc/05/87/55/912058755.db2.gz GLCLPQFTQQLKCU-UHFFFAOYSA-N -1 3 390.298 3.630 20 0 GHADHM Cc1cccc(Oc2cc(CNC(=O)CCc3c(C)nc[n-]c3=O)ccn2)c1C ZINC001182872415 912092097 /nfs/dbraw/zinc/09/20/97/912092097.db2.gz RXGZEOBEQLVBGL-UHFFFAOYSA-N -1 3 392.459 3.544 20 0 GHADHM CC[C@](CNCc1nccc(C)c1Br)(C(=O)[O-])c1ccccc1 ZINC000901898827 921715722 /nfs/dbraw/zinc/71/57/22/921715722.db2.gz NDBXGYLEWANIBJ-GOSISDBHSA-N -1 3 377.282 3.675 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC001182926947 912106360 /nfs/dbraw/zinc/10/63/60/912106360.db2.gz XZEKCHIHXTUYDV-QMMMGPOBSA-N -1 3 392.670 3.510 20 0 GHADHM C[C@H](C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000248513173 912163460 /nfs/dbraw/zinc/16/34/60/912163460.db2.gz CWFWPRBXQPWPPI-YCZSINBZSA-N -1 3 398.547 3.574 20 0 GHADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c21 ZINC000642583078 912188482 /nfs/dbraw/zinc/18/84/82/912188482.db2.gz BEKLKFWSHBPXGU-UHFFFAOYSA-N -1 3 378.392 3.854 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646906686 914913891 /nfs/dbraw/zinc/91/38/91/914913891.db2.gz VXIPGPDEZAWUTL-GOSISDBHSA-N -1 3 378.819 3.836 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc2)CC1 ZINC000901918168 921731561 /nfs/dbraw/zinc/73/15/61/921731561.db2.gz UKYHDMQEMIUWNI-WHXUGTBJSA-N -1 3 382.460 3.580 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000291138946 915001115 /nfs/dbraw/zinc/00/11/15/915001115.db2.gz WFRQLKJZVYZUOB-OALUTQOASA-N -1 3 384.867 3.744 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)sc1Br ZINC001187073017 915004697 /nfs/dbraw/zinc/00/46/97/915004697.db2.gz URZQDFTTYPHRDO-STQMWFEESA-N -1 3 386.336 3.729 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)C1CCOCC1 ZINC000647130223 915045977 /nfs/dbraw/zinc/04/59/77/915045977.db2.gz IEMAIOZPWFOBCB-SFHVURJKSA-N -1 3 397.924 3.985 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001187278168 915144949 /nfs/dbraw/zinc/14/49/49/915144949.db2.gz SNPAALXKZRFOLP-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM O=S(=O)([N-]CCC1CC1)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001187566839 915367177 /nfs/dbraw/zinc/36/71/77/915367177.db2.gz YELGNNKDMYIDAR-UHFFFAOYSA-N -1 3 376.425 3.907 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001187619141 915387708 /nfs/dbraw/zinc/38/77/08/915387708.db2.gz IDBCMBRHDQEKOE-UHFFFAOYSA-N -1 3 382.551 3.586 20 0 GHADHM CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2[n-]nnc2C(F)(F)F)cc1 ZINC001187766108 915512971 /nfs/dbraw/zinc/51/29/71/915512971.db2.gz GTZYTXRCCGRHOF-UHFFFAOYSA-N -1 3 389.381 3.984 20 0 GHADHM CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2nn[n-]c2C(F)(F)F)cc1 ZINC001187766108 915512988 /nfs/dbraw/zinc/51/29/88/915512988.db2.gz GTZYTXRCCGRHOF-UHFFFAOYSA-N -1 3 389.381 3.984 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1SC[C@H](O)C(F)(F)F ZINC001187802843 915522822 /nfs/dbraw/zinc/52/28/22/915522822.db2.gz KCAKDVPVNMZHFJ-HNNXBMFYSA-N -1 3 399.390 3.862 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)nc1Cl ZINC001187979887 915660074 /nfs/dbraw/zinc/66/00/74/915660074.db2.gz BXWAVUDMJLRWBF-MNOVXSKESA-N -1 3 377.680 3.876 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1cccc(Cl)c1F)OCC ZINC001188381671 915914377 /nfs/dbraw/zinc/91/43/77/915914377.db2.gz XGABTYUVIATZGO-UHFFFAOYSA-N -1 3 398.822 3.560 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1Br)c1ccoc1 ZINC001188615805 916058678 /nfs/dbraw/zinc/05/86/78/916058678.db2.gz WROJZWFKPRLROC-UHFFFAOYSA-N -1 3 399.035 3.745 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001188658646 916082950 /nfs/dbraw/zinc/08/29/50/916082950.db2.gz DRCCNZQHCBBHQM-MRXNPFEDSA-N -1 3 382.460 3.797 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1S(=O)(=O)NC(C)(C)C ZINC000293269533 916095305 /nfs/dbraw/zinc/09/53/05/916095305.db2.gz WATKKKUKBLIIJK-UHFFFAOYSA-N -1 3 396.896 3.683 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001188640704 916098636 /nfs/dbraw/zinc/09/86/36/916098636.db2.gz WTNWDTWTYLMXCL-OAQYLSRUSA-N -1 3 384.501 3.531 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cc(F)c(F)c(F)c1 ZINC001188676779 916103260 /nfs/dbraw/zinc/10/32/60/916103260.db2.gz ORQBHUQGQOWYST-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(C)C)c1ccc(C)o1 ZINC001188723827 916156802 /nfs/dbraw/zinc/15/68/02/916156802.db2.gz BCUMKQYJROJPBW-OAHLLOKOSA-N -1 3 385.457 3.570 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188742219 916173013 /nfs/dbraw/zinc/17/30/13/916173013.db2.gz NDINEJVTCFLYNV-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)ccc2o1 ZINC001188900934 916287688 /nfs/dbraw/zinc/28/76/88/916287688.db2.gz AVMOJXKJIKZANF-UHFFFAOYSA-N -1 3 394.408 3.781 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1c2ccccc2CCC[C@H]1C ZINC001188994427 916327882 /nfs/dbraw/zinc/32/78/82/916327882.db2.gz FDUHUHNSCYETIX-BFUOFWGJSA-N -1 3 391.464 3.604 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC001189320417 916550912 /nfs/dbraw/zinc/55/09/12/916550912.db2.gz HYRDZYKMFJAVGY-QWHCGFSZSA-N -1 3 381.519 3.935 20 0 GHADHM O=C(Nc1ncc(Br)[n-]c1=O)c1cccc(-c2ccsc2)c1 ZINC001189376807 916575309 /nfs/dbraw/zinc/57/53/09/916575309.db2.gz BZXCETPXYLSCDF-UHFFFAOYSA-N -1 3 376.235 3.513 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc(F)c1Br ZINC001189453317 916657812 /nfs/dbraw/zinc/65/78/12/916657812.db2.gz LBCSMDBIEMJENQ-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC001189515354 916696390 /nfs/dbraw/zinc/69/63/90/916696390.db2.gz LASISRJCFQWQQY-JTQLQIEISA-N -1 3 382.894 3.998 20 0 GHADHM O=c1[nH]ccc2c([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)cccc12 ZINC001189531513 916726902 /nfs/dbraw/zinc/72/69/02/916726902.db2.gz HHEHFLLBFUYUPZ-UHFFFAOYSA-N -1 3 382.363 3.901 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)CCOCC1 ZINC000650176272 916779016 /nfs/dbraw/zinc/77/90/16/916779016.db2.gz WFHFWEAXRQDNEK-UHFFFAOYSA-N -1 3 397.443 3.569 20 0 GHADHM O=C(c1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1)N1CCCCC1 ZINC001189687675 916808056 /nfs/dbraw/zinc/80/80/56/916808056.db2.gz VATDMUUSAWQPSJ-UHFFFAOYSA-N -1 3 394.443 3.533 20 0 GHADHM CC(C)Oc1c(F)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1F ZINC001189697689 916839246 /nfs/dbraw/zinc/83/92/46/916839246.db2.gz VKLNROAYYQMKDS-UHFFFAOYSA-N -1 3 377.359 3.972 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)s1 ZINC000294537149 916851528 /nfs/dbraw/zinc/85/15/28/916851528.db2.gz ZQOGJXUSHSBIHJ-UHFFFAOYSA-N -1 3 375.422 3.656 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000294625183 916895937 /nfs/dbraw/zinc/89/59/37/916895937.db2.gz HFWINYWWGNNTHB-QZTJIDSGSA-N -1 3 380.492 3.522 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(O)CCC1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189764852 916900427 /nfs/dbraw/zinc/90/04/27/916900427.db2.gz GWUWCZWEAMUCOC-INIZCTEOSA-N -1 3 381.350 3.677 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cnc(Cl)c(C(F)(F)F)c1 ZINC001189782338 916916747 /nfs/dbraw/zinc/91/67/47/916916747.db2.gz QNOQWPZOLVRUSY-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(Cl)c1 ZINC001189827040 916949898 /nfs/dbraw/zinc/94/98/98/916949898.db2.gz JLMSJEZRXDYPEU-UHFFFAOYSA-N -1 3 389.807 3.737 20 0 GHADHM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000362325455 917211466 /nfs/dbraw/zinc/21/14/66/917211466.db2.gz ICKOGWWUPPNYRH-LKUPVBHCSA-N -1 3 383.444 3.593 20 0 GHADHM CC1(C)C[C@@H](C2([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC2)CCO1 ZINC001190348051 917277043 /nfs/dbraw/zinc/27/70/43/917277043.db2.gz LUDXGOQXPQQHEB-LBPRGKRZSA-N -1 3 395.418 3.861 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccn2)CCC1)c1cc(C(F)(F)F)ccc1F ZINC001190350934 917280088 /nfs/dbraw/zinc/28/00/88/917280088.db2.gz WJXASPJXKLHZGL-UHFFFAOYSA-N -1 3 388.386 3.683 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncnc2Br)cc1 ZINC001190423870 917329059 /nfs/dbraw/zinc/32/90/59/917329059.db2.gz NSCBLVSERLCCQY-UHFFFAOYSA-N -1 3 384.299 3.728 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000651097955 917426649 /nfs/dbraw/zinc/42/66/49/917426649.db2.gz COYRUMUJOGGBBA-VHSXEESVSA-N -1 3 382.176 3.841 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000651097956 917426880 /nfs/dbraw/zinc/42/68/80/917426880.db2.gz COYRUMUJOGGBBA-ZJUUUORDSA-N -1 3 382.176 3.841 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1F)C(C)C ZINC001190593326 917435549 /nfs/dbraw/zinc/43/55/49/917435549.db2.gz QDWNARCAYCJWRW-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)cc(C)c1 ZINC001190594363 917437584 /nfs/dbraw/zinc/43/75/84/917437584.db2.gz XDQOXOWONVWEJY-CYBMUJFWSA-N -1 3 381.881 3.783 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCCc2ccccc21 ZINC001190608799 917446124 /nfs/dbraw/zinc/44/61/24/917446124.db2.gz BZOSPXLTNUVXEZ-KRWDZBQOSA-N -1 3 393.892 3.873 20 0 GHADHM CC1(C)C[C@@](C)([N-]S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)C(=O)O1 ZINC001190629054 917462789 /nfs/dbraw/zinc/46/27/89/917462789.db2.gz CHOGYDLITNQOFL-HXUWFJFHSA-N -1 3 379.522 3.638 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C2CC2)c1 ZINC001190696912 917487866 /nfs/dbraw/zinc/48/78/66/917487866.db2.gz NVQYYQLZDHCITP-LBPRGKRZSA-N -1 3 377.437 3.529 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190903107 917654434 /nfs/dbraw/zinc/65/44/34/917654434.db2.gz ORVKFEPYBTUXLX-HNNXBMFYSA-N -1 3 387.867 3.691 20 0 GHADHM CSc1nnc([N-]C(=O)c2cccc(Oc3ccccc3)n2)c(SC)n1 ZINC001191130137 917770451 /nfs/dbraw/zinc/77/04/51/917770451.db2.gz AUJGTBFIFGXFQU-UHFFFAOYSA-N -1 3 385.474 3.755 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001191248470 917877712 /nfs/dbraw/zinc/87/77/12/917877712.db2.gz CPPAWIOXFYUKHZ-UHFFFAOYSA-N -1 3 392.496 3.806 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1c1ccccc1 ZINC000652506430 917916415 /nfs/dbraw/zinc/91/64/15/917916415.db2.gz PUVNYSGWARJQKT-IAGOWNOFSA-N -1 3 383.835 3.690 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc(OC)c1[O-] ZINC000652819166 918022253 /nfs/dbraw/zinc/02/22/53/918022253.db2.gz XURJPSWBYQWKLW-CQSZACIVSA-N -1 3 375.396 3.581 20 0 GHADHM C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000652846468 918026680 /nfs/dbraw/zinc/02/66/80/918026680.db2.gz ODTNWLLTZYELRZ-FZMZJTMJSA-N -1 3 375.856 3.647 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1SCC(F)(F)F ZINC000775470210 918103148 /nfs/dbraw/zinc/10/31/48/918103148.db2.gz OTIGPFBYMCFEPS-UHFFFAOYSA-N -1 3 399.320 3.800 20 0 GHADHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001191848483 918262747 /nfs/dbraw/zinc/26/27/47/918262747.db2.gz ONPUWXFWCABVOB-NSHDSACASA-N -1 3 398.750 3.832 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1c(O)cccc1Br ZINC001191898444 918289547 /nfs/dbraw/zinc/28/95/47/918289547.db2.gz UQJZQDMJJZYJDI-UHFFFAOYSA-N -1 3 394.649 3.889 20 0 GHADHM CCc1ccc([C@H](O)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000796587848 918455829 /nfs/dbraw/zinc/45/58/29/918455829.db2.gz NULJJTAVZOROEP-HXUWFJFHSA-N -1 3 392.459 3.575 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3c(C)cc(Cl)nc3Cl)c2)o1 ZINC001192227299 918552279 /nfs/dbraw/zinc/55/22/79/918552279.db2.gz QVDWPGAVSSNBFK-UHFFFAOYSA-N -1 3 399.259 3.856 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000115907700 919481041 /nfs/dbraw/zinc/48/10/41/919481041.db2.gz QPZTWXITEICJGU-OAHLLOKOSA-N -1 3 376.497 3.893 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000280160864 919575543 /nfs/dbraw/zinc/57/55/43/919575543.db2.gz BXMBNOBQVFADMO-QFBILLFUSA-N -1 3 383.469 3.572 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)C(C)C)ccc1F ZINC000119876657 919665823 /nfs/dbraw/zinc/66/58/23/919665823.db2.gz XQAQAUBOGFBWNH-UHFFFAOYSA-N -1 3 378.469 3.568 20 0 GHADHM CN(C)c1ccc(C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000364649672 919791875 /nfs/dbraw/zinc/79/18/75/919791875.db2.gz FXPYPHVSFSABDJ-UHFFFAOYSA-N -1 3 375.472 3.614 20 0 GHADHM CCOc1cc(CNc2ccc(NS(=O)(=O)CC)cc2)cc(Cl)c1[O-] ZINC000297963571 920026219 /nfs/dbraw/zinc/02/62/19/920026219.db2.gz WRZMFMMTKABJJN-UHFFFAOYSA-N -1 3 384.885 3.818 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)c(=O)[n-]1 ZINC000365172803 920469816 /nfs/dbraw/zinc/46/98/16/920469816.db2.gz YVHCOEKTKMTBEU-CQSZACIVSA-N -1 3 396.274 3.678 20 0 GHADHM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000365251706 920571153 /nfs/dbraw/zinc/57/11/53/920571153.db2.gz DWKHUZZMNUFQRJ-RNODOKPDSA-N -1 3 382.847 3.784 20 0 GHADHM CCOc1cc(CNc2ccc(OCC(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000298722156 920849586 /nfs/dbraw/zinc/84/95/86/920849586.db2.gz RLLLHJVJSWGAGN-UHFFFAOYSA-N -1 3 378.856 3.523 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3-c3ccoc3)c2)n1 ZINC000365532016 920914263 /nfs/dbraw/zinc/91/42/63/920914263.db2.gz FEJZDJMILDJTPW-UHFFFAOYSA-N -1 3 389.415 3.657 20 0 GHADHM Cc1ccc(C2=NO[C@@H](CNC(=O)CCCc3ccc([O-])c(F)c3)C2)cc1C ZINC000801401725 921003284 /nfs/dbraw/zinc/00/32/84/921003284.db2.gz SJCBDARFDFCMEB-GOSISDBHSA-N -1 3 384.451 3.780 20 0 GHADHM O=C([O-])/C=C\c1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)o1 ZINC000901428435 921097822 /nfs/dbraw/zinc/09/78/22/921097822.db2.gz GHTFJASANLQQLQ-WHLNPGIBSA-N -1 3 397.406 3.946 20 0 GHADHM C[C@H]1CCN(Cc2cc(OC(F)F)ccc2Br)[C@H](C(=O)[O-])C1 ZINC000902013700 921815455 /nfs/dbraw/zinc/81/54/55/921815455.db2.gz XWSZZHLRHQMJOA-ZANVPECISA-N -1 3 378.213 3.736 20 0 GHADHM CCOc1c(Br)cc(CN2CCCCC[C@@H]2C(=O)[O-])cc1OC ZINC000902039509 921830259 /nfs/dbraw/zinc/83/02/59/921830259.db2.gz XHSHRMKATGGPFT-CQSZACIVSA-N -1 3 386.286 3.686 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](c3ccccc3)N(C)C)nc(=O)c2c1C ZINC000780087484 921958817 /nfs/dbraw/zinc/95/88/17/921958817.db2.gz CHRCRWJDJHWXPW-LRDDRELGSA-N -1 3 385.489 3.921 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](c3ccccc3)N(C)C)nc(=O)c2c1C ZINC000780087486 921959565 /nfs/dbraw/zinc/95/95/65/921959565.db2.gz CHRCRWJDJHWXPW-WBMJQRKESA-N -1 3 385.489 3.921 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CCNCc1csc(C(=O)[O-])c1 ZINC000902370614 922134607 /nfs/dbraw/zinc/13/46/07/922134607.db2.gz TYPAFSZAWZLWPS-UHFFFAOYSA-N -1 3 382.869 3.535 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H]4C[C@]4(c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000902855792 922559663 /nfs/dbraw/zinc/55/96/63/922559663.db2.gz INSPQSKGSXDRGQ-FDDCHVKYSA-N -1 3 386.455 3.963 20 0 GHADHM O=c1cc(N2CC[C@H](N[C@@H](c3ccc4ccccc4c3)C(F)(F)F)C2)nc[n-]1 ZINC000903400321 922991620 /nfs/dbraw/zinc/99/16/20/922991620.db2.gz SSMBPCQHSLECJB-LPHOPBHVSA-N -1 3 388.393 3.807 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000903595347 923112686 /nfs/dbraw/zinc/11/26/86/923112686.db2.gz LLJASWROBIICHI-UHFFFAOYSA-N -1 3 392.459 3.558 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CN(CC(C)C)CC(C)(C)C(=O)[O-])n2)c1 ZINC000903622872 923134211 /nfs/dbraw/zinc/13/42/11/923134211.db2.gz PXAWKRXJXKWHQZ-UHFFFAOYSA-N -1 3 389.496 3.834 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(Cl)ccc2N2CCSCC2)c2ccccc21 ZINC000748689130 923785125 /nfs/dbraw/zinc/78/51/25/923785125.db2.gz HQPUKEGBQNIJRJ-FOWTUZBSSA-N -1 3 399.903 3.616 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000748766644 923819978 /nfs/dbraw/zinc/81/99/78/923819978.db2.gz IISRFIZZOKFFKW-HNNXBMFYSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)OC(=O)c1ccc(Cl)c([N-]C(=O)c2ncoc2[C@H]2CCCO2)c1 ZINC000115056229 924420761 /nfs/dbraw/zinc/42/07/61/924420761.db2.gz KSSVQFLAGCVOJU-CQSZACIVSA-N -1 3 378.812 3.997 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cc(Cl)ccc1OC(F)(F)F ZINC000826968325 924443880 /nfs/dbraw/zinc/44/38/80/924443880.db2.gz MFZVUJIZLPUTDK-LURJTMIESA-N -1 3 398.617 3.711 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@H]1c1ccco1 ZINC000678310417 924718556 /nfs/dbraw/zinc/71/85/56/924718556.db2.gz HKWBZZMJZPVIEK-FQEVSTJZSA-N -1 3 377.440 3.984 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC12CCC2 ZINC000678410637 924760582 /nfs/dbraw/zinc/76/05/82/924760582.db2.gz TWNNSLUWKQGQQW-LBPRGKRZSA-N -1 3 389.293 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925501713 /nfs/dbraw/zinc/50/17/13/925501713.db2.gz KHAMYFOGTDSFRG-STQMWFEESA-N -1 3 375.874 3.739 20 0 GHADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4nc(C)cn4c3)c2)n1 ZINC000410338028 925553322 /nfs/dbraw/zinc/55/33/22/925553322.db2.gz BTONKXBAPYTMBL-UHFFFAOYSA-N -1 3 384.486 3.875 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)c3cccc(OC(C)C)c3)nc2)n1 ZINC000372654242 925613103 /nfs/dbraw/zinc/61/31/03/925613103.db2.gz HRAYUJLEXZKLSQ-LJQANCHMSA-N -1 3 394.475 3.739 20 0 GHADHM COc1cc(C(=O)N(CCc2ccc(F)cc2)CC(C)C)cc(OC)c1[O-] ZINC000680814558 925618333 /nfs/dbraw/zinc/61/83/33/925618333.db2.gz NRDCHNIPDPFEPD-UHFFFAOYSA-N -1 3 375.440 3.889 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000681062579 925712558 /nfs/dbraw/zinc/71/25/58/925712558.db2.gz IMBBNTLNFKISER-SCLBCKFNSA-N -1 3 380.822 3.747 20 0 GHADHM CC1(C)CCC(C)(C)c2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)ccc21 ZINC001137463536 925920490 /nfs/dbraw/zinc/92/04/90/925920490.db2.gz OLLMDPRGCPFLGC-UHFFFAOYSA-N -1 3 394.515 3.901 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccnn2C)C(C)C)c1Cl ZINC000682618368 926175097 /nfs/dbraw/zinc/17/50/97/926175097.db2.gz ZKWHYEOAGRYTFZ-LBPRGKRZSA-N -1 3 390.336 3.753 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000466874904 926273280 /nfs/dbraw/zinc/27/32/80/926273280.db2.gz SIGRMONAFAADLU-UHFFFAOYSA-N -1 3 386.367 3.654 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)nn1[C@H](C)C1CC1 ZINC000683050233 926338560 /nfs/dbraw/zinc/33/85/60/926338560.db2.gz UIMXUBMPGBBJJB-GFCCVEGCSA-N -1 3 376.420 3.946 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nn1[C@H](C)C1CC1 ZINC000683050233 926338571 /nfs/dbraw/zinc/33/85/71/926338571.db2.gz UIMXUBMPGBBJJB-GFCCVEGCSA-N -1 3 376.420 3.946 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)COCc1ccccc1 ZINC000390372848 926394058 /nfs/dbraw/zinc/39/40/58/926394058.db2.gz KZIWXRFYVYLFFM-LBPRGKRZSA-N -1 3 389.304 3.520 20 0 GHADHM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276165120 926410753 /nfs/dbraw/zinc/41/07/53/926410753.db2.gz OREGGZLOBPYBDY-HNNXBMFYSA-N -1 3 397.224 3.828 20 0 GHADHM Cc1nccn1-c1ncccc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000725888999 926480516 /nfs/dbraw/zinc/48/05/16/926480516.db2.gz AXNPALKBMQPMRH-UHFFFAOYSA-N -1 3 398.466 3.802 20 0 GHADHM CC(C)Oc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000726637464 926776606 /nfs/dbraw/zinc/77/66/06/926776606.db2.gz KCUAXHBEVIIZQE-LJQANCHMSA-N -1 3 383.444 3.527 20 0 GHADHM O=c1nc(CN2CCC(c3c[nH]cn3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000374206344 926897803 /nfs/dbraw/zinc/89/78/03/926897803.db2.gz DHSDRIWDUKVRRF-UHFFFAOYSA-N -1 3 381.461 3.760 20 0 GHADHM COC(=O)N[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(C)C ZINC000749392079 927085310 /nfs/dbraw/zinc/08/53/10/927085310.db2.gz OUTATERYVWETCE-KRWDZBQOSA-N -1 3 399.472 3.988 20 0 GHADHM [O-]c1ccc(NC(=S)NC[C@@H]2CCOC2)cc1-c1nc2ccccc2s1 ZINC000749640291 927220370 /nfs/dbraw/zinc/22/03/70/927220370.db2.gz SAPUXJAZXPGYMP-LBPRGKRZSA-N -1 3 385.514 3.992 20 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3.553 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1F ZINC000467928093 929600476 /nfs/dbraw/zinc/60/04/76/929600476.db2.gz RZECOZZAPYBLSO-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc(OC)c1[O-] ZINC000545877913 929634910 /nfs/dbraw/zinc/63/49/10/929634910.db2.gz GSTHLXVLUKHTSD-UHFFFAOYSA-N -1 3 390.486 3.833 20 0 GHADHM COc1ccc(C[C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000469158057 929640073 /nfs/dbraw/zinc/64/00/73/929640073.db2.gz AZRCYHJWCOOOIR-AWEZNQCLSA-N -1 3 375.440 3.619 20 0 GHADHM COC(=O)c1coc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)C)CCCC3)c1 ZINC000546066162 929822130 /nfs/dbraw/zinc/82/21/30/929822130.db2.gz KEOCAWNNVRPFIV-UHFFFAOYSA-N -1 3 391.445 3.824 20 0 GHADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469427807 929876357 /nfs/dbraw/zinc/87/63/57/929876357.db2.gz IINMKIULDYLRDU-PTFIGZPYSA-N -1 3 377.481 3.811 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C)CCCCC3)cs2)c1 ZINC000546185406 929938886 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Cc1nc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1[C@H](C)O ZINC000781014415 930672777 /nfs/dbraw/zinc/67/27/77/930672777.db2.gz WTTOGHZSETVBPM-KRWDZBQOSA-N -1 3 390.483 3.864 20 0 GHADHM CC(C)c1noc(Cc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000547289780 930884847 /nfs/dbraw/zinc/88/48/47/930884847.db2.gz HTPKIMIEMVYVJQ-UHFFFAOYSA-N -1 3 388.427 3.878 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCC(C)CC2)sc1C ZINC000470763308 930891833 /nfs/dbraw/zinc/89/18/33/930891833.db2.gz BISVJDPGMVEJAN-HNNXBMFYSA-N -1 3 399.607 3.573 20 0 GHADHM C[C@H](C1CC1)N(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000547413943 930992888 /nfs/dbraw/zinc/99/28/88/930992888.db2.gz ZMABWQDKDSFIJK-SNVBAGLBSA-N -1 3 380.366 3.830 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1csc(Br)c1 ZINC000782677199 931299535 /nfs/dbraw/zinc/29/95/35/931299535.db2.gz RQADLLKOWLNABI-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM CC1CCN([C@@H](CN=c2[n-]nc(-c3ccon3)s2)c2cccs2)CC1 ZINC000557477776 931459958 /nfs/dbraw/zinc/45/99/58/931459958.db2.gz IFTQVXYLJAZKRM-AWEZNQCLSA-N -1 3 375.523 3.562 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCC2Cc3ccccc3C2)cnn1-c1ccccc1F ZINC000557662658 931598764 /nfs/dbraw/zinc/59/87/64/931598764.db2.gz QSMJDXPSXSNDIJ-UHFFFAOYSA-N -1 3 399.491 3.867 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783662146 931611564 /nfs/dbraw/zinc/61/15/64/931611564.db2.gz XNCQOJQAZIRPMM-JTQLQIEISA-N -1 3 392.770 3.745 20 0 GHADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783671167 931613663 /nfs/dbraw/zinc/61/36/63/931613663.db2.gz WXZBHKIFZVKTET-UHFFFAOYSA-N -1 3 395.346 3.522 20 0 GHADHM Cc1sc(NC=C2C(=O)[N-]C(=O)c3ccccc32)nc1-c1ccc(F)cc1 ZINC000783679066 931615065 /nfs/dbraw/zinc/61/50/65/931615065.db2.gz NJZHWHMTMKYXDD-YBEGLDIGSA-N -1 3 379.416 3.981 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cccc3n[n-]nc31)CC2 ZINC000783718758 931628823 /nfs/dbraw/zinc/62/88/23/931628823.db2.gz QQDZZSMPGKHZMD-UHFFFAOYSA-N -1 3 379.420 3.508 20 0 GHADHM Cn1cc(CCC(=O)OCc2noc(-c3ccccc3[O-])n2)c2ccccc21 ZINC000784100183 931784284 /nfs/dbraw/zinc/78/42/84/931784284.db2.gz YXEKEPHSZFSUKT-UHFFFAOYSA-N -1 3 377.400 3.610 20 0 GHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000558038617 931812164 /nfs/dbraw/zinc/81/21/64/931812164.db2.gz LFJWYQCXHVTNIA-UHFFFAOYSA-N -1 3 391.489 3.906 20 0 GHADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000558055545 931818928 /nfs/dbraw/zinc/81/89/28/931818928.db2.gz WADGSPKRLVJFIO-CYBMUJFWSA-N -1 3 399.853 3.672 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000558477087 932024706 /nfs/dbraw/zinc/02/47/06/932024706.db2.gz NDKBNPMBIGCBAH-OAHLLOKOSA-N -1 3 384.867 3.733 20 0 GHADHM Cc1ccc([C@@H](Cc2ccccc2Cl)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC000926812773 932315884 /nfs/dbraw/zinc/31/58/84/932315884.db2.gz LPPQYHNKXQLUCS-GOSISDBHSA-N -1 3 399.878 3.883 20 0 GHADHM COc1ccc(N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000777626620 932590518 /nfs/dbraw/zinc/59/05/18/932590518.db2.gz WBBHPCPWQJGFPK-KRWDZBQOSA-N -1 3 380.485 3.885 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799022939 932854347 /nfs/dbraw/zinc/85/43/47/932854347.db2.gz SVJRGPQAYWQREG-MRXNPFEDSA-N -1 3 376.463 3.900 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928282838 932908642 /nfs/dbraw/zinc/90/86/42/932908642.db2.gz SEYNCGKCGBZBNV-LLVKDONJSA-N -1 3 381.295 3.706 20 0 GHADHM O=c1cc(C(F)(F)F)nc(SC[C@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC000559982286 932998515 /nfs/dbraw/zinc/99/85/15/932998515.db2.gz NEIBVHJLEQBGIL-CQSZACIVSA-N -1 3 399.438 3.584 20 0 GHADHM COc1ccc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)c(OC)c1OC ZINC000559989265 933002426 /nfs/dbraw/zinc/00/24/26/933002426.db2.gz QFSIVMCDMXGKOO-QHCPKHFHSA-N -1 3 399.487 3.854 20 0 GHADHM COc1cccc(-c2noc([N-][C@@H](Cn3ccccc3=O)c3ccccc3)n2)c1 ZINC000799993006 933206023 /nfs/dbraw/zinc/20/60/23/933206023.db2.gz RORFNXGPFSPANV-IBGZPJMESA-N -1 3 388.427 3.760 20 0 GHADHM Cc1ccccc1Nc1nc(COC(=O)CCc2c(C)nc[n-]c2=O)cs1 ZINC001115840827 933218591 /nfs/dbraw/zinc/21/85/91/933218591.db2.gz KSBZAHIKARQDTG-UHFFFAOYSA-N -1 3 384.461 3.675 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)COc3ccccc3F)cc2)cc(=O)[n-]1 ZINC001115896726 933235076 /nfs/dbraw/zinc/23/50/76/933235076.db2.gz IWTRHYMHPPDVEL-CYBMUJFWSA-N -1 3 396.422 3.886 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001116098727 933333695 /nfs/dbraw/zinc/33/36/95/933333695.db2.gz INCPQVXHLFXRRZ-GOSISDBHSA-N -1 3 381.501 3.893 20 0 GHADHM Cc1sc(NC(=O)CCc2c(C)nc[n-]c2=O)nc1-c1ccc2c(c1)CCC2 ZINC001116155441 933367253 /nfs/dbraw/zinc/36/72/53/933367253.db2.gz CHPLWZUVYFSYHD-UHFFFAOYSA-N -1 3 394.500 3.983 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCCOc1ccc(Oc2ccccc2)cc1 ZINC001116159138 933369820 /nfs/dbraw/zinc/36/98/20/933369820.db2.gz SUOUWURERUCVEI-UHFFFAOYSA-N -1 3 394.427 3.838 20 0 GHADHM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1(C)C ZINC001116193049 933396881 /nfs/dbraw/zinc/39/68/81/933396881.db2.gz JDYFVTFAHQKOAX-UHFFFAOYSA-N -1 3 390.480 3.887 20 0 GHADHM COc1ccc2[nH]c(C)c(C(=O)OCc3noc(-c4ccccc4[O-])n3)c2c1 ZINC001116829562 933782593 /nfs/dbraw/zinc/78/25/93/933782593.db2.gz IYVHHUFSRWLJCJ-UHFFFAOYSA-N -1 3 379.372 3.598 20 0 GHADHM CC(C)(C)c1ccc(OCc2nnc([C@@H]([N-]S(C)(=O)=O)C(C)(C)C)o2)cc1 ZINC001117183741 933873739 /nfs/dbraw/zinc/87/37/39/933873739.db2.gz SJQCMZJRVUYSJM-MRXNPFEDSA-N -1 3 395.525 3.583 20 0 GHADHM O=c1[n-]c(SCC[C@H]2CCOC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC001117801572 934033202 /nfs/dbraw/zinc/03/32/02/934033202.db2.gz STOYEYNRIPRMAJ-LLVKDONJSA-N -1 3 376.869 3.693 20 0 GHADHM Cc1cc(C2([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)CCOCC2)on1 ZINC001118831961 934257870 /nfs/dbraw/zinc/25/78/70/934257870.db2.gz JPQJRXQHINAJCI-UHFFFAOYSA-N -1 3 392.521 3.573 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](F)C2)cc1 ZINC000931621208 934647301 /nfs/dbraw/zinc/64/73/01/934647301.db2.gz SXHJJPNVEGPTGJ-HNNXBMFYSA-N -1 3 391.468 3.680 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC001121760526 934757634 /nfs/dbraw/zinc/75/76/34/934757634.db2.gz BIOXIFVPROFPTA-BLLLJJGKSA-N -1 3 394.479 3.654 20 0 GHADHM C[C@]1(C(F)(F)F)CCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001122933101 935034870 /nfs/dbraw/zinc/03/48/70/935034870.db2.gz LAGQGGJSZKVURG-HNNXBMFYSA-N -1 3 399.398 3.527 20 0 GHADHM CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001125170786 935540892 /nfs/dbraw/zinc/54/08/92/935540892.db2.gz CSYYRAKQSKUVAC-UHFFFAOYSA-N -1 3 383.835 3.574 20 0 GHADHM O=C(N[C@H]1CCCOc2c(F)cccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001137913861 935866732 /nfs/dbraw/zinc/86/67/32/935866732.db2.gz JLMRBXPXDRAZTH-INIZCTEOSA-N -1 3 388.345 3.589 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2OC)nc1C ZINC000829981378 935887788 /nfs/dbraw/zinc/88/77/88/935887788.db2.gz DEGBFGUCTGPRBE-LLVKDONJSA-N -1 3 398.431 3.606 20 0 GHADHM COc1ccccc1[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000830134229 935904550 /nfs/dbraw/zinc/90/45/50/935904550.db2.gz RDIFBIBPDWUPDP-HNNXBMFYSA-N -1 3 377.444 3.754 20 0 GHADHM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])c(C)n2C)cc1Br ZINC000324221926 971097895 /nfs/dbraw/zinc/09/78/95/971097895.db2.gz ZAAZRHHHJKWQHS-JTQLQIEISA-N -1 3 381.270 3.654 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cc(F)c(C(F)(F)F)cc1F ZINC001573556154 946924408 /nfs/dbraw/zinc/92/44/08/946924408.db2.gz YQNSWUQORRENCQ-UHFFFAOYSA-N -1 3 398.291 3.945 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cc(F)c(C(F)(F)F)cc1F ZINC001573556154 946924419 /nfs/dbraw/zinc/92/44/19/946924419.db2.gz YQNSWUQORRENCQ-UHFFFAOYSA-N -1 3 398.291 3.945 20 0 GHADHM C[C@@H](C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC001573655772 947981339 /nfs/dbraw/zinc/98/13/39/947981339.db2.gz YTQJWIPYXOFIPU-CQSZACIVSA-N -1 3 389.459 3.854 20 0 GHADHM C[C@@H](C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC001573655772 947981343 /nfs/dbraw/zinc/98/13/43/947981343.db2.gz YTQJWIPYXOFIPU-CQSZACIVSA-N -1 3 389.459 3.854 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC001460787455 948525784 /nfs/dbraw/zinc/52/57/84/948525784.db2.gz QOGBLHLCTBSPBK-SFHVURJKSA-N -1 3 381.411 3.645 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC001460787455 948525790 /nfs/dbraw/zinc/52/57/90/948525790.db2.gz QOGBLHLCTBSPBK-SFHVURJKSA-N -1 3 381.411 3.645 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC001574416347 948747014 /nfs/dbraw/zinc/74/70/14/948747014.db2.gz RPWUGWPBXHWJRH-UHFFFAOYSA-N -1 3 396.882 3.580 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC001574416347 948747017 /nfs/dbraw/zinc/74/70/17/948747017.db2.gz RPWUGWPBXHWJRH-UHFFFAOYSA-N -1 3 396.882 3.580 20 0 GHADHM CC(C)c1ccc(-c2nnc(SCc3cc(-c4nnn[n-]4)ccn3)o2)cc1 ZINC001574416508 948749922 /nfs/dbraw/zinc/74/99/22/948749922.db2.gz VUIZNJBCPCQAEE-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM CC(C)c1ccc(-c2nnc(SCc3cc(-c4nn[n-]n4)ccn3)o2)cc1 ZINC001574416508 948749930 /nfs/dbraw/zinc/74/99/30/948749930.db2.gz VUIZNJBCPCQAEE-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM C[C@H](C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC001573755332 948760521 /nfs/dbraw/zinc/76/05/21/948760521.db2.gz PFRKYKFCCZNYLV-QMMMGPOBSA-N -1 3 396.760 3.676 20 0 GHADHM C[C@H](C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC001573755332 948760528 /nfs/dbraw/zinc/76/05/28/948760528.db2.gz PFRKYKFCCZNYLV-QMMMGPOBSA-N -1 3 396.760 3.676 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)n1 ZINC001574419303 948779962 /nfs/dbraw/zinc/77/99/62/948779962.db2.gz ACYKXRUOGGXLFS-UHFFFAOYSA-N -1 3 382.493 3.923 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)n1 ZINC001574419303 948779971 /nfs/dbraw/zinc/77/99/71/948779971.db2.gz ACYKXRUOGGXLFS-UHFFFAOYSA-N -1 3 382.493 3.923 20 0 GHADHM CC(C)c1nc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC001574427603 948907228 /nfs/dbraw/zinc/90/72/28/948907228.db2.gz IQGBYBOOWKIYCF-JKSUJKDBSA-N -1 3 388.431 3.874 20 0 GHADHM CC(C)c1nc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC001574427603 948907240 /nfs/dbraw/zinc/90/72/40/948907240.db2.gz IQGBYBOOWKIYCF-JKSUJKDBSA-N -1 3 388.431 3.874 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)CC1 ZINC001574091849 949037434 /nfs/dbraw/zinc/03/74/34/949037434.db2.gz PGWFKZKINJEEMJ-LBPRGKRZSA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)CC1 ZINC001574091849 949037457 /nfs/dbraw/zinc/03/74/57/949037457.db2.gz PGWFKZKINJEEMJ-LBPRGKRZSA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC12CCCCCC2 ZINC001574099192 949174458 /nfs/dbraw/zinc/17/44/58/949174458.db2.gz JJFXEGIFEXVFJA-MRXNPFEDSA-N -1 3 388.903 3.736 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC12CCCCCC2 ZINC001574099192 949174467 /nfs/dbraw/zinc/17/44/67/949174467.db2.gz JJFXEGIFEXVFJA-MRXNPFEDSA-N -1 3 388.903 3.736 20 0 GHADHM CC(C)(C(=O)Nc1ccc2c(Cl)cccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787917 949191728 /nfs/dbraw/zinc/19/17/28/949191728.db2.gz FGVKFCKIOGHFNZ-UHFFFAOYSA-N -1 3 392.850 3.985 20 0 GHADHM CC(C)(C(=O)Nc1ccc2c(Cl)cccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787917 949191740 /nfs/dbraw/zinc/19/17/40/949191740.db2.gz FGVKFCKIOGHFNZ-UHFFFAOYSA-N -1 3 392.850 3.985 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001576157195 949475488 /nfs/dbraw/zinc/47/54/88/949475488.db2.gz ZCMURTGEZIQGKA-KSSFIOAISA-N -1 3 376.464 3.919 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001576157573 949487652 /nfs/dbraw/zinc/48/76/52/949487652.db2.gz RKMKIZBAYORTGZ-YJBOKZPZSA-N -1 3 391.475 3.612 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001576157573 949487665 /nfs/dbraw/zinc/48/76/65/949487665.db2.gz RKMKIZBAYORTGZ-YJBOKZPZSA-N -1 3 391.475 3.612 20 0 GHADHM CCCN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001589659183 949837992 /nfs/dbraw/zinc/83/79/92/949837992.db2.gz LYPJIJYOBHVIEA-HXUWFJFHSA-N -1 3 396.491 3.688 20 0 GHADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3csc(-c4nnn[n-]4)c3)sc2C1 ZINC001573826020 949900466 /nfs/dbraw/zinc/90/04/66/949900466.db2.gz DYMCCLTUIZDUSV-SNVBAGLBSA-N -1 3 388.522 3.788 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1F ZINC001575289591 949994060 /nfs/dbraw/zinc/99/40/60/949994060.db2.gz ABYOSEPIASSGGR-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(Cl)c1F ZINC001575289591 949994074 /nfs/dbraw/zinc/99/40/74/949994074.db2.gz ABYOSEPIASSGGR-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c2ccccc2S1 ZINC001576194019 950327118 /nfs/dbraw/zinc/32/71/18/950327118.db2.gz XMTDNWUWTRHKGJ-LBPRGKRZSA-N -1 3 390.472 3.879 20 0 GHADHM CC(C)CC1(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC001574167741 950488488 /nfs/dbraw/zinc/48/84/88/950488488.db2.gz HXVYFQUNUUBDNW-UHFFFAOYSA-N -1 3 396.520 3.973 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1-c1nnn[n-]1 ZINC001573876373 950672549 /nfs/dbraw/zinc/67/25/49/950672549.db2.gz MYCRFQFMEVGJDR-INIZCTEOSA-N -1 3 384.484 3.888 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC001573876373 950672565 /nfs/dbraw/zinc/67/25/65/950672565.db2.gz MYCRFQFMEVGJDR-INIZCTEOSA-N -1 3 384.484 3.888 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)c1 ZINC001573876744 950680494 /nfs/dbraw/zinc/68/04/94/950680494.db2.gz UWHXTTWLIDGHIJ-UHFFFAOYSA-N -1 3 377.448 3.637 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)c1 ZINC001573876744 950680506 /nfs/dbraw/zinc/68/05/06/950680506.db2.gz UWHXTTWLIDGHIJ-UHFFFAOYSA-N -1 3 377.448 3.637 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1-c1nnn[n-]1 ZINC001573876991 950687404 /nfs/dbraw/zinc/68/74/04/950687404.db2.gz ZSBCZLATYAPLFO-UHFFFAOYSA-N -1 3 395.438 3.853 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1-c1nn[n-]n1 ZINC001573876991 950687418 /nfs/dbraw/zinc/68/74/18/950687418.db2.gz ZSBCZLATYAPLFO-UHFFFAOYSA-N -1 3 395.438 3.853 20 0 GHADHM CC(C)(C)c1cc(NC(=O)C2(F)CCCC2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573879739 950733466 /nfs/dbraw/zinc/73/34/66/950733466.db2.gz KJIUJIPBESOVKB-UHFFFAOYSA-N -1 3 397.458 3.571 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N(CC(F)F)C2CCC2)c1-c1nnn[n-]1 ZINC001573884104 950782365 /nfs/dbraw/zinc/78/23/65/950782365.db2.gz IEXLQZDBHTWQKK-UHFFFAOYSA-N -1 3 384.456 3.877 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N(CC(F)F)C2CCC2)c1-c1nn[n-]n1 ZINC001573884104 950782383 /nfs/dbraw/zinc/78/23/83/950782383.db2.gz IEXLQZDBHTWQKK-UHFFFAOYSA-N -1 3 384.456 3.877 20 0 GHADHM CC(C)(C)c1cccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573884454 950795615 /nfs/dbraw/zinc/79/56/15/950795615.db2.gz MVTUGTZPYOKWLL-LJQANCHMSA-N -1 3 391.475 3.739 20 0 GHADHM CCOC(=O)c1oc2ccc(Br)cc2c1CN(C)C[C@H](C)C(=O)[O-] ZINC001591426386 951138607 /nfs/dbraw/zinc/13/86/07/951138607.db2.gz PUEHIJBPDZSVBJ-JTQLQIEISA-N -1 3 398.253 3.525 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1OC(C)(C)C ZINC001575188189 952447626 /nfs/dbraw/zinc/44/76/26/952447626.db2.gz HRPFMNGBAKCOAK-HNNXBMFYSA-N -1 3 393.491 3.539 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1OC(C)(C)C ZINC001575188189 952447634 /nfs/dbraw/zinc/44/76/34/952447634.db2.gz HRPFMNGBAKCOAK-HNNXBMFYSA-N -1 3 393.491 3.539 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 ZINC001575188997 952452821 /nfs/dbraw/zinc/45/28/21/952452821.db2.gz MBIRCPMTWSSYEQ-KPZWWZAWSA-N -1 3 382.851 3.929 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 ZINC001575188997 952452825 /nfs/dbraw/zinc/45/28/25/952452825.db2.gz MBIRCPMTWSSYEQ-KPZWWZAWSA-N -1 3 382.851 3.929 20 0 GHADHM C[C@H](Cc1ccccc1Br)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001575191035 952465535 /nfs/dbraw/zinc/46/55/35/952465535.db2.gz WDPXBMMEZVCLRN-SNVBAGLBSA-N -1 3 376.233 3.811 20 0 GHADHM C[C@H](Cc1ccccc1Br)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001575191035 952465537 /nfs/dbraw/zinc/46/55/37/952465537.db2.gz WDPXBMMEZVCLRN-SNVBAGLBSA-N -1 3 376.233 3.811 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001575191553 952467249 /nfs/dbraw/zinc/46/72/49/952467249.db2.gz XSVAZMVCPWTBRJ-QRWLVFNGSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001575191553 952467251 /nfs/dbraw/zinc/46/72/51/952467251.db2.gz XSVAZMVCPWTBRJ-QRWLVFNGSA-N -1 3 375.476 3.703 20 0 GHADHM O=C([O-])c1ccccc1OCCN[C@H]1CCOc2ccc(Br)cc21 ZINC001574815079 957884230 /nfs/dbraw/zinc/88/42/30/957884230.db2.gz IQNORPZZMSZJAR-HNNXBMFYSA-N -1 3 392.249 3.640 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000391397732 972333244 /nfs/dbraw/zinc/33/32/44/972333244.db2.gz NRJRVPQSSNWRQB-SRVKXCTJSA-N -1 3 383.286 3.656 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1ccccc1C(=O)[O-] ZINC001603234069 972360089 /nfs/dbraw/zinc/36/00/89/972360089.db2.gz FCEXVMPSARGNHB-NVXWUHKLSA-N -1 3 392.496 3.531 20 0 GHADHM Cc1cccc(-c2noc(CC3CCN(Cc4cccc(C(=O)[O-])c4)CC3)n2)n1 ZINC001594385731 958661928 /nfs/dbraw/zinc/66/19/28/958661928.db2.gz DPIHCOHZQGQLEZ-UHFFFAOYSA-N -1 3 392.459 3.593 20 0 GHADHM CCCCO[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1(C)C ZINC001573849156 961121450 /nfs/dbraw/zinc/12/14/50/961121450.db2.gz OIPNZWYMMXGZEX-RYQLBKOJSA-N -1 3 378.513 3.654 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCCO[C@H](c4ccccc4)C3)o2)C1 ZINC001605999271 973085680 /nfs/dbraw/zinc/08/56/80/973085680.db2.gz RWSOVPKUUMDOKP-QUCCMNQESA-N -1 3 384.476 3.544 20 0 GHADHM CCC[C@@](C)(NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405194509 973779011 /nfs/dbraw/zinc/77/90/11/973779011.db2.gz ZZCPSDOSUZJDLF-CYBMUJFWSA-N -1 3 381.641 3.678 20 0 GHADHM O=C([O-])[C@H]1CN(CCC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC001605680607 974096394 /nfs/dbraw/zinc/09/63/94/974096394.db2.gz XFSZIGMUCXVRKA-HNNXBMFYSA-N -1 3 392.377 3.718 20 0 GHADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185602958 1014363991 /nfs/dbraw/zinc/36/39/91/1014363991.db2.gz VBBVCNMSKDOQQK-UHFFFAOYSA-N -1 3 394.471 3.768 20 0 GHADHM CC(C)c1ccc(C2(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)CCC2)cc1 ZINC001625911245 1014369538 /nfs/dbraw/zinc/36/95/38/1014369538.db2.gz AMQWVTYCXAJXIV-UHFFFAOYSA-N -1 3 375.476 3.974 20 0 GHADHM CC(C)c1ccc(C2(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)CCC2)cc1 ZINC001625911245 1014369555 /nfs/dbraw/zinc/36/95/55/1014369555.db2.gz AMQWVTYCXAJXIV-UHFFFAOYSA-N -1 3 375.476 3.974 20 0 GHADHM C[C@H](CN(Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC001592604747 978546975 /nfs/dbraw/zinc/54/69/75/978546975.db2.gz MJOIEPQSKBKYCW-CQSZACIVSA-N -1 3 382.382 3.746 20 0 GHADHM C[C@H]1CC[C@@]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)(C(=O)[O-])CC1 ZINC001599909845 984970806 /nfs/dbraw/zinc/97/08/06/984970806.db2.gz ZIOAGAJPRZQJKV-RRNAMWOMSA-N -1 3 387.461 3.780 20 0 GHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000544843041 1015091435 /nfs/dbraw/zinc/09/14/35/1015091435.db2.gz VVOSLINMSRPBKK-SSDOTTSWSA-N -1 3 378.185 3.598 20 0 GHADHM CCOC(=O)c1csc(CC2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC001596747158 985072299 /nfs/dbraw/zinc/07/22/99/985072299.db2.gz SZRZTASSGPSIIX-LBPRGKRZSA-N -1 3 392.477 3.627 20 0 GHADHM Cc1[nH]c(CN2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1C(=O)[O-] ZINC001599964025 985858444 /nfs/dbraw/zinc/85/84/44/985858444.db2.gz WBDHARKQBIQXKB-NRFANRHFSA-N -1 3 393.528 3.784 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001589513228 987156268 /nfs/dbraw/zinc/15/62/68/987156268.db2.gz PQJHYCCXGMZMOQ-GUXCAODWSA-N -1 3 381.476 3.517 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001589513565 987160444 /nfs/dbraw/zinc/16/04/44/987160444.db2.gz WKZIIPCTWPFFMC-UZLBHIALSA-N -1 3 381.476 3.833 20 0 GHADHM CCc1[nH]c(CN[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001597392890 987629093 /nfs/dbraw/zinc/62/90/93/987629093.db2.gz ZXSQSQOFBXODLO-QGZVFWFLSA-N -1 3 383.414 3.687 20 0 GHADHM CS[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001599790544 987999316 /nfs/dbraw/zinc/99/93/16/987999316.db2.gz ITHPDDRDMOPAKZ-GFCCVEGCSA-N -1 3 386.304 3.815 20 0 GHADHM CCc1nc(C2CCN([C@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 ZINC001597664032 988746006 /nfs/dbraw/zinc/74/60/06/988746006.db2.gz WZPOZQOTKZBQMF-HNNXBMFYSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1n[nH]c(C2CCN([C@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC001597664032 988746016 /nfs/dbraw/zinc/74/60/16/988746016.db2.gz WZPOZQOTKZBQMF-HNNXBMFYSA-N -1 3 383.279 3.679 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc([C@H]3CCCO3)no2)c1 ZINC000545061066 1015450644 /nfs/dbraw/zinc/45/06/44/1015450644.db2.gz LFFQLMCMVLAVNA-MRXNPFEDSA-N -1 3 389.408 3.528 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(C(=O)[O-])c3Cl)C[C@@H]2C1 ZINC001590075281 989176179 /nfs/dbraw/zinc/17/61/79/989176179.db2.gz ZIRBLYGJXYGODW-UKRRQHHQSA-N -1 3 394.899 3.727 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001597767370 989220070 /nfs/dbraw/zinc/22/00/70/989220070.db2.gz KIMSUAYAEZIDGJ-KXBFYZLASA-N -1 3 396.409 3.883 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)CN3C[C@H](C)[C@@](C)(C(=O)[O-])C3)ccc21 ZINC001597868961 989664814 /nfs/dbraw/zinc/66/48/14/989664814.db2.gz PBYPEWANAXRVCU-WNSKOXEYSA-N -1 3 393.487 3.796 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NCc1ccsc1C(=O)[O-] ZINC001590267950 989667991 /nfs/dbraw/zinc/66/79/91/989667991.db2.gz DDUSUJYESYOFCY-HZPDHXFCSA-N -1 3 388.489 3.727 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001590493829 990097765 /nfs/dbraw/zinc/09/77/65/990097765.db2.gz PORBJGAPHHQPBM-HSZRJFAPSA-N -1 3 380.488 3.651 20 0 GHADHM CN(C(=O)CN[C@H](Cc1ccccc1)c1cccs1)c1ccccc1C(=O)[O-] ZINC001598024330 990229665 /nfs/dbraw/zinc/22/96/65/990229665.db2.gz DATDPELBKTZEQY-GOSISDBHSA-N -1 3 394.496 3.983 20 0 GHADHM CN(C(=O)[C@H](Cc1ccccc1)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001598068080 990362930 /nfs/dbraw/zinc/36/29/30/990362930.db2.gz IXDNFCMLHWQZIV-QFIPXVFZSA-N -1 3 388.467 3.749 20 0 GHADHM CN(C(=O)[C@H](Cc1ccccc1)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001598068103 990363115 /nfs/dbraw/zinc/36/31/15/990363115.db2.gz KIHWHFCOYXJEHU-QFIPXVFZSA-N -1 3 388.467 3.749 20 0 GHADHM CN(C)CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C1CCCC1 ZINC001598223959 990903886 /nfs/dbraw/zinc/90/38/86/990903886.db2.gz UKDMGYUMCIFODW-UHFFFAOYSA-N -1 3 387.402 3.742 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C(F)(F)F ZINC001598253139 991040967 /nfs/dbraw/zinc/04/09/67/991040967.db2.gz WWPWYWUZWFNBLX-UHFFFAOYSA-N -1 3 384.329 3.857 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001590981292 991139241 /nfs/dbraw/zinc/13/92/41/991139241.db2.gz SWZNVRJDZRBTCT-IBGZPJMESA-N -1 3 387.455 3.802 20 0 GHADHM CC(C)[C@H](CNC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001590982498 991152075 /nfs/dbraw/zinc/15/20/75/991152075.db2.gz PAEMWTCLOAOGES-XJABCFGWSA-N -1 3 382.504 3.594 20 0 GHADHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468357664 1015620170 /nfs/dbraw/zinc/62/01/70/1015620170.db2.gz FWQCWLJJAPHRQQ-UHFFFAOYSA-N -1 3 394.393 3.619 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cc([O-])cc(F)c1 ZINC000545328572 1015779242 /nfs/dbraw/zinc/77/92/42/1015779242.db2.gz FOQLRVRMYUHCLZ-QFIPXVFZSA-N -1 3 395.478 3.966 20 0 GHADHM CN1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@@H]1Cc1ccccc1 ZINC001598612014 993795838 /nfs/dbraw/zinc/79/58/38/993795838.db2.gz OXMSRZSGZWFEDB-RBUKOAKNSA-N -1 3 392.421 3.690 20 0 GHADHM COc1ccc(SCCN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001599619229 994058353 /nfs/dbraw/zinc/05/83/53/994058353.db2.gz JSHYCFOUWASWJB-UHFFFAOYSA-N -1 3 378.519 3.822 20 0 GHADHM C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593198005 994167778 /nfs/dbraw/zinc/16/77/78/994167778.db2.gz NBXNYRHTCXULLZ-KBPBESRZSA-N -1 3 382.485 3.955 20 0 GHADHM C[C@H](N[C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593198921 994175959 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3 385.485 3.676 20 0 GHADHM C[C@@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001593734188 996322320 /nfs/dbraw/zinc/32/23/20/996322320.db2.gz QYHQMKMFQGVALJ-AAEUAGOBSA-N -1 3 398.290 3.658 20 0 GHADHM CC1(C)CCC[C@@H]1[C@@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001593898185 996759908 /nfs/dbraw/zinc/75/99/08/996759908.db2.gz TXDCLYICASJIIB-BMFZPTHFSA-N -1 3 376.522 3.700 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001599498789 997071933 /nfs/dbraw/zinc/07/19/33/997071933.db2.gz HUXJPGOPDVVHOE-KRWDZBQOSA-N -1 3 394.512 3.765 20 0 GHADHM CCCS(=O)(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468851035 1016110749 /nfs/dbraw/zinc/11/07/49/1016110749.db2.gz GFYQNCKCXOSENK-UHFFFAOYSA-N -1 3 394.468 3.644 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)c(F)c2)C(=O)[O-])cc1 ZINC001599532158 997676169 /nfs/dbraw/zinc/67/61/69/997676169.db2.gz PGMCHNMEOFXTTD-MRXNPFEDSA-N -1 3 387.329 3.691 20 0 GHADHM C[C@@]1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC[C@H]1C(=O)[O-] ZINC001594061105 997844400 /nfs/dbraw/zinc/84/44/00/997844400.db2.gz ZGXABHCXWQYXBK-ORAYPTAESA-N -1 3 375.494 3.800 20 0 GHADHM COc1ccc(CCCN[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1OC ZINC001599554995 998075015 /nfs/dbraw/zinc/07/50/15/998075015.db2.gz XWTSJHBEUKAGLF-SFHVURJKSA-N -1 3 381.831 3.844 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)O1 ZINC001594100289 998105498 /nfs/dbraw/zinc/10/54/98/998105498.db2.gz NMVHSVQPMFWQOD-IIYDPXPESA-N -1 3 398.425 3.752 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc(C(=O)[O-])cs2)[C@@H]1C ZINC001594309580 999195004 /nfs/dbraw/zinc/19/50/04/999195004.db2.gz XURLSXRHVYJGNB-UMVBOHGHSA-N -1 3 382.526 3.960 20 0 GHADHM C[C@@H]1CC[C@@](NCc2cccc3c2OC(F)(F)O3)(C(=O)[O-])c2ccccc21 ZINC001594321189 999234436 /nfs/dbraw/zinc/23/44/36/999234436.db2.gz OZFXRVYGPRAXIS-BLVKFPJESA-N -1 3 375.371 3.975 20 0 GHADHM 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C[C@]1(Cc2cc(Cl)cs2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000932918190 1018751445 /nfs/dbraw/zinc/75/14/45/1018751445.db2.gz GIJFLXKBBSDDCA-GOSISDBHSA-N -1 3 379.913 3.567 20 0 GHADHM CN(C[C@@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566359532 1019221444 /nfs/dbraw/zinc/22/14/44/1019221444.db2.gz YBADVFREZDGMDW-PBHICJAKSA-N -1 3 382.243 3.891 20 0 GHADHM Cc1cc(Cl)ccc1Oc1ccc(CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000568058869 1019373133 /nfs/dbraw/zinc/37/31/33/1019373133.db2.gz IYNOOKCTMNWPDF-UHFFFAOYSA-N -1 3 375.852 3.852 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([O-])c1 ZINC000570491801 1019619922 /nfs/dbraw/zinc/61/99/22/1019619922.db2.gz UMUUIPGCGXDJCO-KRWDZBQOSA-N -1 3 397.349 3.513 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Nc3cc(-c4n[nH]c(=O)[n-]4)ccc3C)[nH]n2)cc1C ZINC000576908970 1020083846 /nfs/dbraw/zinc/08/38/46/1020083846.db2.gz WWINVEXPURESCL-UHFFFAOYSA-N -1 3 388.431 3.745 20 0 GHADHM C[C@H](Sc1ccc(Br)cc1)C(=O)N[N-]C(=O)c1ccccc1F ZINC000048185216 1020273783 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COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1[O-] ZINC000254466810 1021179399 /nfs/dbraw/zinc/17/93/99/1021179399.db2.gz HBNAWDPTXQGNBC-UHFFFAOYSA-N -1 3 383.629 3.581 20 0 GHADHM CCC(CC)Oc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001140272865 1021297308 /nfs/dbraw/zinc/29/73/08/1021297308.db2.gz TYOSZKDDPUEBQI-CABCVRRESA-N -1 3 399.491 3.748 20 0 GHADHM COc1ccc(C2=NO[C@@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)cc1F ZINC000801353352 1021387655 /nfs/dbraw/zinc/38/76/55/1021387655.db2.gz ZRXWSHBIWSCQBO-MRXNPFEDSA-N -1 3 394.402 3.616 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c(C)c1F ZINC000901892835 1021458651 /nfs/dbraw/zinc/45/86/51/1021458651.db2.gz PYZFXEIERIEPDC-DEOSSOPVSA-N -1 3 383.510 3.739 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCOC1 ZINC000902920810 1021552194 /nfs/dbraw/zinc/55/21/94/1021552194.db2.gz NTHYFSMFPIZYAH-RKDXNWHRSA-N -1 3 386.748 3.777 20 0 GHADHM Cc1ncccc1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000903046567 1021568743 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3 391.512 3.694 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc([O-])c3Br)[C@@H]2C1 ZINC001140547131 1021948498 /nfs/dbraw/zinc/94/84/98/1021948498.db2.gz AMPXIQXTAYHBKW-GXTWGEPZSA-N -1 3 397.313 3.596 20 0 GHADHM [O-]c1cccc(CN2CCN(c3cc(Cl)ccn3)CC2)c1Br ZINC001140550027 1021950878 /nfs/dbraw/zinc/95/08/78/1021950878.db2.gz BXEHNLLJYVMBIT-UHFFFAOYSA-N -1 3 382.689 3.525 20 0 GHADHM Cc1cccc(N2CCCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC001140553029 1021955743 /nfs/dbraw/zinc/95/57/43/1021955743.db2.gz PTMMFFTUYSTVEY-UHFFFAOYSA-N -1 3 376.298 3.570 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3ccc(Cl)nn3)CC2)c1Br ZINC001140553299 1021957046 /nfs/dbraw/zinc/95/70/46/1021957046.db2.gz ZUHHMVXXFMVPHT-UHFFFAOYSA-N -1 3 398.688 3.642 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1nnc(-c2ccncc2)[n-]1)c1ccccc1 ZINC001228698414 1033052998 /nfs/dbraw/zinc/05/29/98/1033052998.db2.gz XYUVGOZGXPXHMF-IBGZPJMESA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1nc(-c2ccncc2)n[n-]1)c1ccccc1 ZINC001228698414 1033053011 /nfs/dbraw/zinc/05/30/11/1033053011.db2.gz XYUVGOZGXPXHMF-IBGZPJMESA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228698414 1033053023 /nfs/dbraw/zinc/05/30/23/1033053023.db2.gz XYUVGOZGXPXHMF-IBGZPJMESA-N -1 3 386.411 3.730 20 0 GHADHM CN1CCN(Cc2ccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)cc2)CC1 ZINC001204734534 1033053244 /nfs/dbraw/zinc/05/32/44/1033053244.db2.gz RDWYQHPDRCCYHX-UHFFFAOYSA-N -1 3 385.270 3.724 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](c1ccc(C)cc1)C(F)(F)F ZINC001228712778 1033059477 /nfs/dbraw/zinc/05/94/77/1033059477.db2.gz DDAACUKUYWJQAR-AWEZNQCLSA-N -1 3 386.395 3.862 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1[O-] ZINC000754267091 1022568566 /nfs/dbraw/zinc/56/85/66/1022568566.db2.gz JGQSHBFBUKKCIP-HCVBEMKVSA-N -1 3 388.460 3.740 20 0 GHADHM COc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc(OC)c1[O-] ZINC000754266230 1022570503 /nfs/dbraw/zinc/57/05/03/1022570503.db2.gz DBAXEAMCGZYVMV-UHFFFAOYSA-N -1 3 387.432 3.502 20 0 GHADHM O=C1N(CC2CCCC2)CCC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140888516 1022804133 /nfs/dbraw/zinc/80/41/33/1022804133.db2.gz GJDKRELVPDTYQE-UHFFFAOYSA-N -1 3 378.463 3.675 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140894658 1022820451 /nfs/dbraw/zinc/82/04/51/1022820451.db2.gz DJGFOHNTIXLZDO-OAHLLOKOSA-N -1 3 382.451 3.940 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000836285835 1022824479 /nfs/dbraw/zinc/82/44/79/1022824479.db2.gz CWLNHVBARHJCLS-UHFFFAOYSA-N -1 3 399.447 3.642 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000836285835 1022824498 /nfs/dbraw/zinc/82/44/98/1022824498.db2.gz CWLNHVBARHJCLS-UHFFFAOYSA-N -1 3 399.447 3.642 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1ccc(C(=O)[O-])o1)CC2 ZINC001140943821 1022948623 /nfs/dbraw/zinc/94/86/23/1022948623.db2.gz DBANPVTUFYZUQS-HXUWFJFHSA-N -1 3 378.469 3.733 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccc(C(=O)[O-])o2)C2CCC2)C1 ZINC001140948729 1022965803 /nfs/dbraw/zinc/96/58/03/1022965803.db2.gz XTUMDJWZXVYOFR-OAHLLOKOSA-N -1 3 378.469 3.732 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)cc1F ZINC000755411827 1023237144 /nfs/dbraw/zinc/23/71/44/1023237144.db2.gz VJFJYNOTSRMFQB-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM CC[C@H]1CN(C)c2ccccc2CN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000755932728 1023441514 /nfs/dbraw/zinc/44/15/14/1023441514.db2.gz IWGIFBWRQIOKGO-INIZCTEOSA-N -1 3 380.521 3.691 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228858546 1033141228 /nfs/dbraw/zinc/14/12/28/1033141228.db2.gz SNVKGCGXUQAPPT-SCLBCKFNSA-N -1 3 375.465 3.936 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCc3ccccn3)cc2)C(=O)[O-])cc1F ZINC000756366543 1023610501 /nfs/dbraw/zinc/61/05/01/1023610501.db2.gz SZUSBDWAKWCSBN-NRFANRHFSA-N -1 3 396.418 3.724 20 0 GHADHM O=C([N-][C@H]1CCN(c2ncccc2Cl)C1)C(F)(F)c1c(F)cccc1F ZINC000757055161 1023921808 /nfs/dbraw/zinc/92/18/08/1023921808.db2.gz XJAIERWVYFQMHS-JTQLQIEISA-N -1 3 387.764 3.500 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000830761986 1024136531 /nfs/dbraw/zinc/13/65/31/1024136531.db2.gz JIJPHARFMIREMF-UHFFFAOYSA-N -1 3 394.859 3.963 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141210376 1024139366 /nfs/dbraw/zinc/13/93/66/1024139366.db2.gz MJUMITCXUHKLOY-IBGZPJMESA-N -1 3 399.466 3.903 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000837242520 1024278480 /nfs/dbraw/zinc/27/84/80/1024278480.db2.gz VYNCMOVZMBHUPB-GOEBONIOSA-N -1 3 376.497 3.578 20 0 GHADHM [O-]c1cc(Br)cnc1O[C@H]1COc2c1cccc2Br ZINC001228956671 1033199360 /nfs/dbraw/zinc/19/93/60/1033199360.db2.gz PXQNSABAFFNENN-NSHDSACASA-N -1 3 387.027 3.825 20 0 GHADHM CC(=O)OC[C@H]1CCC2(C1)CCN(Cc1cn(CC(=O)[O-])c3ccccc13)CC2 ZINC001138197148 1024346701 /nfs/dbraw/zinc/34/67/01/1024346701.db2.gz INOLCLWSHWSQDH-SFHVURJKSA-N -1 3 398.503 3.671 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1(c2ccccc2Br)CC1 ZINC000837661660 1024615806 /nfs/dbraw/zinc/61/58/06/1024615806.db2.gz JRHOZXGHARCWGH-UHFFFAOYSA-N -1 3 389.249 3.597 20 0 GHADHM Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)[N-]OC1CCCC1 ZINC000831701550 1024756568 /nfs/dbraw/zinc/75/65/68/1024756568.db2.gz BRWAJFKSPLCMIP-UHFFFAOYSA-N -1 3 381.593 3.735 20 0 GHADHM CCCOc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000837890724 1024785903 /nfs/dbraw/zinc/78/59/03/1024785903.db2.gz QWZQKVIJMWPYEY-UHFFFAOYSA-N -1 3 384.388 3.597 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCCC3(F)F)cc21 ZINC000831764646 1024828803 /nfs/dbraw/zinc/82/88/03/1024828803.db2.gz YQSYLWGWRVQSND-NSHDSACASA-N -1 3 377.840 3.573 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc([O-])ccc3Cl)C[C@H]2C1 ZINC000838177742 1024974854 /nfs/dbraw/zinc/97/48/54/1024974854.db2.gz ZBLQYUCIKWUEBD-MELADBBJSA-N -1 3 394.899 3.811 20 0 GHADHM CCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H](C)Cc1ccsc1 ZINC001138601919 1025086627 /nfs/dbraw/zinc/08/66/27/1025086627.db2.gz BEENCHHLSLVLMP-LLVKDONJSA-N -1 3 376.428 3.961 20 0 GHADHM O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC001141482155 1025197041 /nfs/dbraw/zinc/19/70/41/1025197041.db2.gz MVAVCMNQRBFYBR-AVRDEDQJSA-N -1 3 393.414 3.712 20 0 GHADHM [O-]c1cc(O)cc(OC[C@H]2CCC(c3ccccc3)=NO2)c1Br ZINC001229096550 1033275276 /nfs/dbraw/zinc/27/52/76/1033275276.db2.gz FHJLMLVAWFJZLH-CYBMUJFWSA-N -1 3 378.222 3.822 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000838806144 1025378047 /nfs/dbraw/zinc/37/80/47/1025378047.db2.gz OXKJQQNNGKOMOH-CYBMUJFWSA-N -1 3 399.329 3.891 20 0 GHADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001141547446 1025475083 /nfs/dbraw/zinc/47/50/83/1025475083.db2.gz ILPIQWFPPKRQKG-OAHLLOKOSA-N -1 3 390.386 3.912 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000838994742 1025507687 /nfs/dbraw/zinc/50/76/87/1025507687.db2.gz MADKQZMRZBNQHL-CHWSQXEVSA-N -1 3 399.329 3.890 20 0 GHADHM COC(=O)c1nc2ccc(N[C@@H]3CCCC[C@H]3OCc3ccccc3)nc2[n-]1 ZINC001162051606 1025566478 /nfs/dbraw/zinc/56/64/78/1025566478.db2.gz UIAVSDIFLJVLOG-NVXWUHKLSA-N -1 3 380.448 3.684 20 0 GHADHM COC(=O)c1nc2nc(N[C@@H]3CCCC[C@H]3OCc3ccccc3)ccc2[n-]1 ZINC001162051606 1025566484 /nfs/dbraw/zinc/56/64/84/1025566484.db2.gz UIAVSDIFLJVLOG-NVXWUHKLSA-N -1 3 380.448 3.684 20 0 GHADHM COC(=O)c1nc2ccc(N[C@@H]3CCCC[C@H]3OCc3ccccc3)[n-]c-2n1 ZINC001162051606 1025566493 /nfs/dbraw/zinc/56/64/93/1025566493.db2.gz UIAVSDIFLJVLOG-NVXWUHKLSA-N -1 3 380.448 3.684 20 0 GHADHM CC(C)C[C@H](Nc1cc(F)cc(-c2nnn[n-]2)c1)C(=O)OCc1ccccc1 ZINC001162082731 1025592605 /nfs/dbraw/zinc/59/26/05/1025592605.db2.gz KAUUCIYDXPFQDR-SFHVURJKSA-N -1 3 383.427 3.576 20 0 GHADHM CC(C)C[C@H](Nc1cc(F)cc(-c2nn[n-]n2)c1)C(=O)OCc1ccccc1 ZINC001162082731 1025592610 /nfs/dbraw/zinc/59/26/10/1025592610.db2.gz KAUUCIYDXPFQDR-SFHVURJKSA-N -1 3 383.427 3.576 20 0 GHADHM COc1cccc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c1[O-] ZINC001162434503 1025748283 /nfs/dbraw/zinc/74/82/83/1025748283.db2.gz JBXVLDXIRQPFEY-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2CCc3ccccc3OC2)s1 ZINC001139038003 1025814855 /nfs/dbraw/zinc/81/48/55/1025814855.db2.gz XEMJUXAUBXKTQR-CYBMUJFWSA-N -1 3 389.477 3.614 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1)c1ccc(Br)cc1 ZINC001162885029 1025953177 /nfs/dbraw/zinc/95/31/77/1025953177.db2.gz BLTUBRNIGDUMLB-JTQLQIEISA-N -1 3 394.269 3.870 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1)c1ccc(Br)cc1 ZINC001162885029 1025953185 /nfs/dbraw/zinc/95/31/85/1025953185.db2.gz BLTUBRNIGDUMLB-JTQLQIEISA-N -1 3 394.269 3.870 20 0 GHADHM O=C([N-]C1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1)C(F)(F)F ZINC001139246439 1026095811 /nfs/dbraw/zinc/09/58/11/1026095811.db2.gz BCXDHQJIUSXRDD-UHFFFAOYSA-N -1 3 379.382 3.517 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1[O-] ZINC000839700050 1026213118 /nfs/dbraw/zinc/21/31/18/1026213118.db2.gz IVYZGKVJFXGQEK-KRWDZBQOSA-N -1 3 392.496 3.606 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001139530477 1026388673 /nfs/dbraw/zinc/38/86/73/1026388673.db2.gz VTFNLSSPVDOCLH-VPTHRUTESA-N -1 3 392.764 3.885 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1c(Br)cc(F)cc1C(F)(F)F ZINC001164375866 1026498380 /nfs/dbraw/zinc/49/83/80/1026498380.db2.gz WHNOZESVRPATME-SSDOTTSWSA-N -1 3 382.155 3.531 20 0 GHADHM COc1ccc(CN(C)C(F)(F)c2cc(Cl)nc(=S)[n-]2)c(OC)c1 ZINC001165137259 1026629251 /nfs/dbraw/zinc/62/92/51/1026629251.db2.gz HZKRFOKJQGKVDD-UHFFFAOYSA-N -1 3 375.828 3.617 20 0 GHADHM CCNC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1C ZINC001140043306 1026826448 /nfs/dbraw/zinc/82/64/48/1026826448.db2.gz CSIHNNGSVCJMOI-UHFFFAOYSA-N -1 3 398.850 3.884 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccn1 ZINC001166064305 1026908094 /nfs/dbraw/zinc/90/80/94/1026908094.db2.gz RNQPUPPZLJRXPD-UHFFFAOYSA-N -1 3 399.834 3.784 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001209855509 1027248252 /nfs/dbraw/zinc/24/82/52/1027248252.db2.gz VKTMJNZIQJLURD-IAQYHMDHSA-N -1 3 389.304 3.751 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1F ZINC001203311637 1027268247 /nfs/dbraw/zinc/26/82/47/1027268247.db2.gz MBGQBDAMCGFMOY-SSDOTTSWSA-N -1 3 393.316 3.772 20 0 GHADHM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(Br)ccc2N)c1F ZINC001210027612 1027322726 /nfs/dbraw/zinc/32/27/26/1027322726.db2.gz VTUYIKKZZBFWMX-UHFFFAOYSA-N -1 3 393.665 3.933 20 0 GHADHM Cc1ccc2ncc(COC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2c1 ZINC000840204357 1027345435 /nfs/dbraw/zinc/34/54/35/1027345435.db2.gz KLVDFDZJCNYKRO-FQEVSTJZSA-N -1 3 390.439 3.597 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001141843610 1027414660 /nfs/dbraw/zinc/41/46/60/1027414660.db2.gz OHWNGNNBFJPLFY-DHDCSXOGSA-N -1 3 391.328 3.758 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001141843610 1027414673 /nfs/dbraw/zinc/41/46/73/1027414673.db2.gz OHWNGNNBFJPLFY-DHDCSXOGSA-N -1 3 391.328 3.758 20 0 GHADHM CCOc1ccc(C[C@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000840651356 1027687250 /nfs/dbraw/zinc/68/72/50/1027687250.db2.gz GNXQJKXRLIOVEK-AWEZNQCLSA-N -1 3 382.416 3.763 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H]3CCC(F)(F)C3)n2)cc1 ZINC001210902811 1027700077 /nfs/dbraw/zinc/70/00/77/1027700077.db2.gz MVIWSRXBNTUWOS-TZMCWYRMSA-N -1 3 399.463 3.715 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1cc(Cl)ccc1OC(F)F ZINC001211407454 1027946175 /nfs/dbraw/zinc/94/61/75/1027946175.db2.gz WPZHUPQJPMDMHN-ZETCQYMHSA-N -1 3 398.765 3.654 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC001211462101 1027971094 /nfs/dbraw/zinc/97/10/94/1027971094.db2.gz XWOXPSUZEYZXRR-LLVKDONJSA-N -1 3 377.359 3.806 20 0 GHADHM O=C(Nc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl)c1ccco1 ZINC001142090615 1028076139 /nfs/dbraw/zinc/07/61/39/1028076139.db2.gz OABQRXWUKHJXEN-UHFFFAOYSA-N -1 3 398.806 3.811 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OCC(F)F)cc1)c1ccccc1N ZINC001213312132 1028101649 /nfs/dbraw/zinc/10/16/49/1028101649.db2.gz VALDSFXEVPOGMQ-UHFFFAOYSA-N -1 3 381.404 3.692 20 0 GHADHM COC(=O)N=C([S-])N(c1ccc(OCC(F)F)cc1)c1ccccc1N ZINC001213312132 1028101667 /nfs/dbraw/zinc/10/16/67/1028101667.db2.gz VALDSFXEVPOGMQ-UHFFFAOYSA-N -1 3 381.404 3.692 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001213442991 1028194960 /nfs/dbraw/zinc/19/49/60/1028194960.db2.gz QCEPCDRPCFYPSU-CMPLNLGQSA-N -1 3 383.819 3.772 20 0 GHADHM Fc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)ccc1I ZINC001213500646 1028229727 /nfs/dbraw/zinc/22/97/27/1028229727.db2.gz NEODYZNITJQLBN-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM CCOc1cc(Br)ccc1-c1noc(-c2nc(C)ccc2[O-])n1 ZINC001213699281 1028337805 /nfs/dbraw/zinc/33/78/05/1028337805.db2.gz AVGACTBNRNCBNO-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM CCCN(CCC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(N)c(C)c2)c1 ZINC001213701262 1028340469 /nfs/dbraw/zinc/34/04/69/1028340469.db2.gz 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1031127923 /nfs/dbraw/zinc/12/79/23/1031127923.db2.gz FUSZCLALZOXTPA-SFHVURJKSA-N -1 3 390.833 3.654 20 0 GHADHM COc1cc2ccccc2cc1C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001152806919 1031364350 /nfs/dbraw/zinc/36/43/50/1031364350.db2.gz FFFVGQARNWJISJ-KRWDZBQOSA-N -1 3 398.459 3.504 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2c(Cl)ccc3cc(Cl)cnc32)[n-]1 ZINC001153475297 1031609405 /nfs/dbraw/zinc/60/94/05/1031609405.db2.gz KOUAXPXVWXAQIK-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2c(Cl)ccc3cc(Cl)cnc32)c[n-]1 ZINC001153475297 1031609415 /nfs/dbraw/zinc/60/94/15/1031609415.db2.gz KOUAXPXVWXAQIK-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1c([O-])ccc2ccccc21)c1cccc(O)c1 ZINC001153509436 1031625309 /nfs/dbraw/zinc/62/53/09/1031625309.db2.gz BUEFCBPSSBTYJA-GOSISDBHSA-N -1 3 379.412 3.675 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@H]2Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225849792 1031650245 /nfs/dbraw/zinc/65/02/45/1031650245.db2.gz BJPMRBFOHRAZPS-LNLATYFQSA-N -1 3 391.415 3.561 20 0 GHADHM O=C(NCC1c2ccccc2CCc2ccccc21)c1cnc2cccnc2c1[O-] ZINC001153862495 1031778081 /nfs/dbraw/zinc/77/80/81/1031778081.db2.gz WSGQWEIBQIBPAB-UHFFFAOYSA-N -1 3 395.462 3.584 20 0 GHADHM Cc1cnc(Cl)c(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c1 ZINC001153873938 1031785440 /nfs/dbraw/zinc/78/54/40/1031785440.db2.gz KQJVJWQPQNEDBL-UHFFFAOYSA-N -1 3 392.640 3.900 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Oc2[n-]c(=S)ncc2C2CC2)CC(F)(F)C1 ZINC001226118122 1031797232 /nfs/dbraw/zinc/79/72/32/1031797232.db2.gz AIRRNSRNSOUIQR-NSHDSACASA-N -1 3 387.452 3.666 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226118117 1031797337 /nfs/dbraw/zinc/79/73/37/1031797337.db2.gz AIBLLYKUPDFSDX-CQSZACIVSA-N -1 3 377.510 3.811 20 0 GHADHM O=C(Nc1cccn2c(Br)cnc12)c1c([O-])cc2ccccc2c1O ZINC001154022777 1031880932 /nfs/dbraw/zinc/88/09/32/1031880932.db2.gz DKSXIYDUSIIALA-UHFFFAOYSA-N -1 3 398.216 3.914 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1Cc2cc(Br)cnc2C1 ZINC001154026283 1031882745 /nfs/dbraw/zinc/88/27/45/1031882745.db2.gz KMDZTPLVUCNHHS-UHFFFAOYSA-N -1 3 385.217 3.565 20 0 GHADHM Cc1cnc(Cl)c(C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001154104004 1031928128 /nfs/dbraw/zinc/92/81/28/1031928128.db2.gz KCEYRCNRGYIVAM-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM O=C(Cn1ccc2ccccc21)Nc1ccc(I)cc1[O-] ZINC001154103799 1031928416 /nfs/dbraw/zinc/92/84/16/1031928416.db2.gz FRYYUQWSLXWITD-UHFFFAOYSA-N -1 3 392.196 3.590 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCC[C@H]3c3cc4ccccc4[nH]3)[n-]c2c1 ZINC001154116094 1031935705 /nfs/dbraw/zinc/93/57/05/1031935705.db2.gz XFKJVVXCMCRVCK-NRFANRHFSA-N -1 3 387.439 3.995 20 0 GHADHM CCc1cc2c(cc1CC)CC(NC(=O)c1cc(=O)c3ccc(OC)cc3[n-]1)C2 ZINC001154120399 1031937399 /nfs/dbraw/zinc/93/73/99/1031937399.db2.gz DYNJKIBAPLIGKI-UHFFFAOYSA-N -1 3 390.483 3.559 20 0 GHADHM CC[C@@H](CC(C)C)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461827729 1069775482 /nfs/dbraw/zinc/77/54/82/1069775482.db2.gz GKERLVIISXVGFI-LBPRGKRZSA-N -1 3 383.901 3.907 20 0 GHADHM CC[C@@H](CC(C)C)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461827729 1069775489 /nfs/dbraw/zinc/77/54/89/1069775489.db2.gz GKERLVIISXVGFI-LBPRGKRZSA-N -1 3 383.901 3.907 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000315472639 1031977900 /nfs/dbraw/zinc/97/79/00/1031977900.db2.gz YSDYNMJFAOVTEN-CYBMUJFWSA-N -1 3 385.302 3.548 20 0 GHADHM CN1CCC[C@@H](Oc2cc([O-])cc3occ(-c4ccc(O)cc4)c(=O)c23)CC1 ZINC001226495424 1031983833 /nfs/dbraw/zinc/98/38/33/1031983833.db2.gz BQQYIYYZORQYSC-QGZVFWFLSA-N -1 3 381.428 3.734 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597534 1032034169 /nfs/dbraw/zinc/03/41/69/1032034169.db2.gz UZNZMZGVTHYOON-BBRMVZONSA-N -1 3 389.448 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226600165 1032037188 /nfs/dbraw/zinc/03/71/88/1032037188.db2.gz UYJWSVPIAUZQTP-ZDUSSCGKSA-N -1 3 397.374 3.522 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H]3N(C)CCCC3(C)C)n2)cc1 ZINC001156873308 1033294849 /nfs/dbraw/zinc/29/48/49/1033294849.db2.gz KMNUNOQAAXBEPO-IBGZPJMESA-N -1 3 384.524 3.552 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2cc3ccccc3nc2Cl)c1[O-] ZINC001157032517 1033378335 /nfs/dbraw/zinc/37/83/35/1033378335.db2.gz UYYVKHNMDBDWGU-UHFFFAOYSA-N -1 3 379.794 3.629 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001229337291 1033421687 /nfs/dbraw/zinc/42/16/87/1033421687.db2.gz DCSDNNAHPWKEPE-LJQANCHMSA-N -1 3 396.447 3.585 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001229337291 1033421692 /nfs/dbraw/zinc/42/16/92/1033421692.db2.gz DCSDNNAHPWKEPE-LJQANCHMSA-N -1 3 396.447 3.585 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354567 1033434815 /nfs/dbraw/zinc/43/48/15/1033434815.db2.gz ZQWUGWAPELDUQL-XQQFMLRXSA-N -1 3 386.539 3.512 20 0 GHADHM C[C@@H](NC(=O)c1c2c(sc1-n1cccc1)CCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001157233060 1033485709 /nfs/dbraw/zinc/48/57/09/1033485709.db2.gz HJCQPFIMCOVCIL-SECBINFHSA-N -1 3 395.410 3.655 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1nc(Cc2ccccc2)no1 ZINC001205650718 1033511442 /nfs/dbraw/zinc/51/14/42/1033511442.db2.gz SEFAYBXQGHJVJH-LBPRGKRZSA-N -1 3 388.265 3.979 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc(=S)[n-]c3sccc32)[C@@H](F)C1 ZINC001229564535 1033560453 /nfs/dbraw/zinc/56/04/53/1033560453.db2.gz FYAINPYZOHYTFN-WDEREUQCSA-N -1 3 385.486 3.706 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC=C(c3ccccc3)C2)c(Cl)c1 ZINC001157421224 1033578427 /nfs/dbraw/zinc/57/84/27/1033578427.db2.gz FBMMJFVTFWQRLF-UHFFFAOYSA-N -1 3 390.892 3.641 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCCC2)c1)c1cnc(Cl)c(Cl)c1 ZINC000325618847 1033969758 /nfs/dbraw/zinc/96/97/58/1033969758.db2.gz DBHWQRZXWWDEFW-UHFFFAOYSA-N -1 3 386.304 3.785 20 0 GHADHM COc1ccc(-c2nc3ccc(F)cc3c(NCc3ncccc3[O-])n2)cc1 ZINC001158771031 1034265726 /nfs/dbraw/zinc/26/57/26/1034265726.db2.gz QXOFGDHHCTWWQT-UHFFFAOYSA-N -1 3 376.391 3.579 20 0 GHADHM O=c1nc2cccc(F)c2c(O/C(=C\[C@@H](O)C(F)(F)F)c2cccs2)[n-]1 ZINC001231072979 1034378204 /nfs/dbraw/zinc/37/82/04/1034378204.db2.gz DNMGENLWAMESST-MQGYJPLLSA-N -1 3 386.326 3.879 20 0 GHADHM C[C@@H]1C[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)CCN1C(=O)OC(C)(C)C ZINC001231074487 1034380138 /nfs/dbraw/zinc/38/01/38/1034380138.db2.gz PFLYRMLWMUJJGY-NEPJUHHUSA-N -1 3 377.416 3.641 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)c1ccc(OC)c(OC)c1 ZINC001231088195 1034389353 /nfs/dbraw/zinc/38/93/53/1034389353.db2.gz MMCGGXRAAMULJE-JTQLQIEISA-N -1 3 381.812 3.775 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)c1ccc(C(=O)OC)cc1 ZINC001231089978 1034391359 /nfs/dbraw/zinc/39/13/59/1034391359.db2.gz BMNRXXORLBSTGW-SNVBAGLBSA-N -1 3 379.796 3.544 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231456527 1034600335 /nfs/dbraw/zinc/60/03/35/1034600335.db2.gz CBDXJJKEJRDIAV-UHFFFAOYSA-N -1 3 380.460 3.651 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCc3ncnc(-c4ccccc4)c3CC2)c1 ZINC001231458664 1034601900 /nfs/dbraw/zinc/60/19/00/1034601900.db2.gz ZEKJGGQEEPEZBZ-UHFFFAOYSA-N -1 3 377.419 3.582 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231459520 1034602611 /nfs/dbraw/zinc/60/26/11/1034602611.db2.gz CFDANQVXSJRXJC-VQTJNVASSA-N -1 3 385.435 3.835 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC001231461724 1034606273 /nfs/dbraw/zinc/60/62/73/1034606273.db2.gz PFXOLYUTZGPPHN-UHFFFAOYSA-N -1 3 385.407 3.949 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462372 1034607505 /nfs/dbraw/zinc/60/75/05/1034607505.db2.gz IGOCNLPIEXHBLV-LJQANCHMSA-N -1 3 380.510 3.812 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)s1 ZINC001231467310 1034612485 /nfs/dbraw/zinc/61/24/85/1034612485.db2.gz UBGZKBPOGDOCBX-UHFFFAOYSA-N -1 3 377.849 3.761 20 0 GHADHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001231521123 1034672091 /nfs/dbraw/zinc/67/20/91/1034672091.db2.gz BOGAHZPQWCYFGN-INIZCTEOSA-N -1 3 382.426 3.682 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231526290 1034679245 /nfs/dbraw/zinc/67/92/45/1034679245.db2.gz NIIFJOOMOLBCBO-KRWDZBQOSA-N -1 3 392.393 3.850 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1)c1ccccc1F ZINC001231527462 1034680574 /nfs/dbraw/zinc/68/05/74/1034680574.db2.gz KTMGAHCZQTYAOT-CQSZACIVSA-N -1 3 396.384 3.945 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)c1 ZINC001208058418 1034722262 /nfs/dbraw/zinc/72/22/62/1034722262.db2.gz OKUGMYBJMGUNBY-GOSISDBHSA-N -1 3 379.453 3.678 20 0 GHADHM CCCCN1CCC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)C1=O ZINC001277548462 1034822490 /nfs/dbraw/zinc/82/24/90/1034822490.db2.gz PXRXLSJRWXYMAH-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM CC(C)(C)OC(=O)N1CCOC2(CCN(Cc3ccc(Cl)c([O-])c3)CC2)C1 ZINC001231731019 1034867431 /nfs/dbraw/zinc/86/74/31/1034867431.db2.gz IZCQLJKDJJZYSU-UHFFFAOYSA-N -1 3 396.915 3.648 20 0 GHADHM [O-]c1cc(CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)ccc1Cl ZINC001231730134 1034867810 /nfs/dbraw/zinc/86/78/10/1034867810.db2.gz FUANVIRIMBLRAH-GHTZIAJQSA-N -1 3 388.895 3.781 20 0 GHADHM [O-]c1cc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)ccc1Cl ZINC001231730613 1034868158 /nfs/dbraw/zinc/86/81/58/1034868158.db2.gz IWHQOGUOBQLBJG-SFHVURJKSA-N -1 3 388.895 3.781 20 0 GHADHM O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001231732149 1034868873 /nfs/dbraw/zinc/86/88/73/1034868873.db2.gz YMOLQPJGVRQRJZ-UHFFFAOYSA-N -1 3 385.895 3.569 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)ccc1Cl ZINC001231738971 1034873791 /nfs/dbraw/zinc/87/37/91/1034873791.db2.gz VVWXFWLWPVZFGC-GOSISDBHSA-N -1 3 394.853 3.573 20 0 GHADHM COc1cccc(OCC2CCN(Cc3ccc(OC)c(C(=O)[O-])c3)CC2)c1 ZINC001231754501 1034884139 /nfs/dbraw/zinc/88/41/39/1034884139.db2.gz APQGKGDHIIUILQ-UHFFFAOYSA-N -1 3 385.460 3.693 20 0 GHADHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001208480743 1034910335 /nfs/dbraw/zinc/91/03/35/1034910335.db2.gz CHMUHFMTTHXYGU-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001160347735 1034947826 /nfs/dbraw/zinc/94/78/26/1034947826.db2.gz RCUKXGWICCILLD-STQMWFEESA-N -1 3 386.945 3.998 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc3[nH]c(=O)oc32)s1 ZINC001160718718 1035043119 /nfs/dbraw/zinc/04/31/19/1035043119.db2.gz WVSYXAJEANRGMJ-UHFFFAOYSA-N -1 3 376.394 3.589 20 0 GHADHM CCCCOc1ccc(C(=O)NCCCc2nc3ccccc3n2C)c([O-])c1 ZINC001160774929 1035063949 /nfs/dbraw/zinc/06/39/49/1035063949.db2.gz NLIWKAAKKDSFIM-UHFFFAOYSA-N -1 3 381.476 3.820 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160948749 1035101784 /nfs/dbraw/zinc/10/17/84/1035101784.db2.gz NDSNYIODKGPSIF-UHFFFAOYSA-N -1 3 379.445 3.652 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160948749 1035101788 /nfs/dbraw/zinc/10/17/88/1035101788.db2.gz NDSNYIODKGPSIF-UHFFFAOYSA-N -1 3 379.445 3.652 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(C)(C)C)c(F)c1F ZINC001209479598 1035287217 /nfs/dbraw/zinc/28/72/17/1035287217.db2.gz INRIXFJTURVXRW-UHFFFAOYSA-N -1 3 383.460 3.928 20 0 GHADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(SC(F)(F)F)c1 ZINC001161837980 1035312515 /nfs/dbraw/zinc/31/25/15/1035312515.db2.gz SRWLIIDYJJRFKJ-LLVKDONJSA-N -1 3 398.406 3.611 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1 ZINC001209684350 1035354910 /nfs/dbraw/zinc/35/49/10/1035354910.db2.gz ZRLVTKHYKUBMID-UWVGGRQHSA-N -1 3 376.956 3.902 20 0 GHADHM O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241445810 1035585108 /nfs/dbraw/zinc/58/51/08/1035585108.db2.gz YXUARKLUHXKPKA-UHFFFAOYSA-N -1 3 380.404 3.506 20 0 GHADHM O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241445810 1035585127 /nfs/dbraw/zinc/58/51/27/1035585127.db2.gz YXUARKLUHXKPKA-UHFFFAOYSA-N -1 3 380.404 3.506 20 0 GHADHM COc1ccc2c(cccc2-c2noc(CNC(=O)c3ccccc3[O-])n2)c1 ZINC001248499550 1035917756 /nfs/dbraw/zinc/91/77/56/1035917756.db2.gz GIOGKDFPDMMHHH-UHFFFAOYSA-N -1 3 375.384 3.534 20 0 GHADHM O=C(NCc1nc(-c2cc(F)ccc2C(F)(F)F)no1)c1ccccc1[O-] ZINC001248500027 1035917890 /nfs/dbraw/zinc/91/78/90/1035917890.db2.gz ZLWCISVSTLXWLH-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(-c2ccc3[n-]c(C(=O)OC)nc3n2)cc1 ZINC001243258796 1036084355 /nfs/dbraw/zinc/08/43/55/1036084355.db2.gz BAVNKDXWEHNHDA-UHFFFAOYSA-N -1 3 380.448 3.625 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(-c2ccc3nc(C(=O)OC)nc-3[n-]2)cc1 ZINC001243258796 1036084374 /nfs/dbraw/zinc/08/43/74/1036084374.db2.gz BAVNKDXWEHNHDA-UHFFFAOYSA-N -1 3 380.448 3.625 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244096412 1036380399 /nfs/dbraw/zinc/38/03/99/1036380399.db2.gz LNACNOWHPKWGOP-KRWDZBQOSA-N -1 3 388.370 3.528 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1C1=CC[C@@H](OC(=O)c2ccccc2)CC1 ZINC001244802480 1036651509 /nfs/dbraw/zinc/65/15/09/1036651509.db2.gz GKFHSDDQCLABLU-QGZVFWFLSA-N -1 3 376.416 3.668 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1C1=CC[C@@H](OC(=O)c2ccccc2)CC1 ZINC001244802480 1036651536 /nfs/dbraw/zinc/65/15/36/1036651536.db2.gz GKFHSDDQCLABLU-QGZVFWFLSA-N -1 3 376.416 3.668 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)c1Cl ZINC001232787898 1038555529 /nfs/dbraw/zinc/55/55/29/1038555529.db2.gz VXSLXAOUUCYNMW-GOSISDBHSA-N -1 3 394.853 3.573 20 0 GHADHM O=C(c1ccccc1)N1CCC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232972487 1038744879 /nfs/dbraw/zinc/74/48/79/1038744879.db2.gz NZPJELRMGPMBGU-UHFFFAOYSA-N -1 3 386.442 3.799 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3cc(Cl)ncc3[O-])C1)C2 ZINC001233039341 1038797840 /nfs/dbraw/zinc/79/78/40/1038797840.db2.gz UGYZWTHAWBRQEK-IIBYNOLFSA-N -1 3 386.879 3.536 20 0 GHADHM [O-]c1cccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c1F ZINC001233051195 1038809178 /nfs/dbraw/zinc/80/91/78/1038809178.db2.gz KLJBDCNUVBWXHU-UHFFFAOYSA-N -1 3 395.482 3.554 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2F)C[C@H]1C(F)(F)F ZINC001233055030 1038817225 /nfs/dbraw/zinc/81/72/25/1038817225.db2.gz KBDOWYCXXPVILJ-ZDUSSCGKSA-N -1 3 378.366 3.515 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC001252044705 1038828535 /nfs/dbraw/zinc/82/85/35/1038828535.db2.gz YSNJGYQSXIQUEJ-UHFFFAOYSA-N -1 3 383.416 3.850 20 0 GHADHM Cc1ccc(-c2nnc(-c3cc(I)c([O-])cc3O)o2)cc1 ZINC001252696397 1039083625 /nfs/dbraw/zinc/08/36/25/1039083625.db2.gz BNYJZGMLPBRXEQ-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM COc1ccc(CN2CC3(C2)CCCN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398480 1039236517 /nfs/dbraw/zinc/23/65/17/1039236517.db2.gz MZMRURGYIDSNRV-UHFFFAOYSA-N -1 3 382.888 3.640 20 0 GHADHM CC(C)(Oc1ccc2occ([O-])c2c1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001233677412 1039531346 /nfs/dbraw/zinc/53/13/46/1039531346.db2.gz KPSYYEWQUOFQMH-HXUWFJFHSA-N -1 3 378.380 3.529 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2cccc([O-])c2Cl)cc1 ZINC001253427229 1039624069 /nfs/dbraw/zinc/62/40/69/1039624069.db2.gz XOUBJULTGDVSJL-OAHLLOKOSA-N -1 3 377.868 3.973 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cccc(OC3CC3)c2F)n[n-]1 ZINC001462389842 1070220471 /nfs/dbraw/zinc/22/04/71/1070220471.db2.gz FLXFLBVRTFQGPV-OAHLLOKOSA-N -1 3 390.459 3.539 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cccc(OC3CC3)c2F)[n-]1 ZINC001462389842 1070220485 /nfs/dbraw/zinc/22/04/85/1070220485.db2.gz FLXFLBVRTFQGPV-OAHLLOKOSA-N -1 3 390.459 3.539 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cccc(OC3CC3)c2F)n1 ZINC001462389842 1070220494 /nfs/dbraw/zinc/22/04/94/1070220494.db2.gz FLXFLBVRTFQGPV-OAHLLOKOSA-N -1 3 390.459 3.539 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c(Cl)ccc([O-])c2F)[C@H]2OCC[C@@H]21 ZINC001234263824 1039944490 /nfs/dbraw/zinc/94/44/90/1039944490.db2.gz HUIUYTVILRBZID-GHJWDPDVSA-N -1 3 387.835 3.730 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2Oc1c(Cl)ccc([O-])c1F ZINC001234266151 1039945607 /nfs/dbraw/zinc/94/56/07/1039945607.db2.gz ZAWGASNIFKFVIR-UGSOOPFHSA-N -1 3 387.835 3.732 20 0 GHADHM CC(C)Oc1ccccc1OC[C@@H](O)CNc1cccc([O-])c1Br ZINC001254013728 1039954259 /nfs/dbraw/zinc/95/42/59/1039954259.db2.gz LRQLMHYMHRHPEM-ZDUSSCGKSA-N -1 3 396.281 3.794 20 0 GHADHM CC1(C)CC(OCc2cn(-c3ccc(Cl)cc3[O-])nn2)CC(C)(C)N1O ZINC001254165038 1040017883 /nfs/dbraw/zinc/01/78/83/1040017883.db2.gz IPSNVDNTUHLCMK-UHFFFAOYSA-N -1 3 380.876 3.554 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001254290144 1040141427 /nfs/dbraw/zinc/14/14/27/1040141427.db2.gz JHRUIFUTEFBLTC-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2Cl)c1 ZINC001254419643 1040221140 /nfs/dbraw/zinc/22/11/40/1040221140.db2.gz DXNSIEMTBIZOJJ-UHFFFAOYSA-N -1 3 392.260 3.820 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693453 1040226197 /nfs/dbraw/zinc/22/61/97/1040226197.db2.gz XOOGAGIHELKGSN-BYICEURKSA-N -1 3 397.475 3.874 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC001254958217 1040689946 /nfs/dbraw/zinc/68/99/46/1040689946.db2.gz AEEAAMVLACQSGL-UHFFFAOYSA-N -1 3 385.844 3.838 20 0 GHADHM CCCCOc1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)cc1Cl ZINC001255593719 1041152922 /nfs/dbraw/zinc/15/29/22/1041152922.db2.gz DIXHKHLKUDKBOS-UHFFFAOYSA-N -1 3 377.872 3.572 20 0 GHADHM O=C(NCCCCCCCc1nnc(C2CCOCC2)o1)c1ccccc1[O-] ZINC001255695862 1041220694 /nfs/dbraw/zinc/22/06/94/1041220694.db2.gz FAIZZXFBTWTEOK-UHFFFAOYSA-N -1 3 387.480 3.592 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1Cl)c1ccc(F)cc1F ZINC001256090027 1041520124 /nfs/dbraw/zinc/52/01/24/1041520124.db2.gz UWMKTJAILVQYNB-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1F)C1CCOCC1)c1ccc(F)cc1F ZINC001256098749 1041525989 /nfs/dbraw/zinc/52/59/89/1041525989.db2.gz WXMSQINIYYLKRK-SFHVURJKSA-N -1 3 385.407 3.550 20 0 GHADHM [O-]c1cc(CN2CCc3c(cnn3-c3ccccc3)C2)ccc1Br ZINC001236688500 1041833375 /nfs/dbraw/zinc/83/33/75/1041833375.db2.gz WEUYEWQZZBNYAT-UHFFFAOYSA-N -1 3 384.277 3.899 20 0 GHADHM [O-]c1cc(CN2CCN(c3ncccc3Cl)CC2)ccc1Br ZINC001236700012 1041839835 /nfs/dbraw/zinc/83/98/35/1041839835.db2.gz ZKRFRIWRTMNLRA-UHFFFAOYSA-N -1 3 382.689 3.525 20 0 GHADHM [O-]c1cc(CN2CCc3nn(-c4ccccc4)cc3C2)ccc1Br ZINC001236699371 1041840153 /nfs/dbraw/zinc/84/01/53/1041840153.db2.gz RWAHGBSGVNSTCC-UHFFFAOYSA-N -1 3 384.277 3.899 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)c(N)c1 ZINC001237772717 1042362570 /nfs/dbraw/zinc/36/25/70/1042362570.db2.gz DVSSNUUFXUMOTA-UHFFFAOYSA-N -1 3 390.505 3.717 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(N)c(Cl)c1 ZINC001237905224 1042417616 /nfs/dbraw/zinc/41/76/16/1042417616.db2.gz IIEPRAIUWOZQGC-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM CN1C(=O)C2(CCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)[C@H]1c1ccccc1 ZINC001237992424 1042447648 /nfs/dbraw/zinc/44/76/48/1042447648.db2.gz PJLULQXQICTBNY-LJQANCHMSA-N -1 3 388.870 3.980 20 0 GHADHM Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(Cl)c([O-])cc4F)CCN3C2)cc1 ZINC001238147772 1042504228 /nfs/dbraw/zinc/50/42/28/1042504228.db2.gz LSEWHMJYAXBSIA-AEFFLSMTSA-N -1 3 390.886 3.831 20 0 GHADHM O=C1N(c2cccc(F)c2)CC12CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001238148297 1042505058 /nfs/dbraw/zinc/50/50/58/1042505058.db2.gz QWWZRSUDTMQSQX-UHFFFAOYSA-N -1 3 392.833 3.953 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC(c2nnc(-c3ccccc3)o2)CC1 ZINC001238233758 1042527304 /nfs/dbraw/zinc/52/73/04/1042527304.db2.gz DHZSYIFGGZYRAJ-UHFFFAOYSA-N -1 3 381.407 3.954 20 0 GHADHM C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233400 1042527344 /nfs/dbraw/zinc/52/73/44/1042527344.db2.gz METVXTMTDUFMBK-KBPBESRZSA-N -1 3 380.460 3.649 20 0 GHADHM [O-]c1ccc(Br)c(CN2CCN3CCc4ccccc4[C@@H]3C2)c1F ZINC001238306810 1042549578 /nfs/dbraw/zinc/54/95/78/1042549578.db2.gz CHRRXAHXCJGYFV-KRWDZBQOSA-N -1 3 391.284 3.709 20 0 GHADHM COc1cc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)ccc1C(=O)[O-] ZINC001240748119 1042952246 /nfs/dbraw/zinc/95/22/46/1042952246.db2.gz ZCGPNKZFWURCHJ-UHFFFAOYSA-N -1 3 386.467 3.726 20 0 GHADHM [O-]c1ccccc1-c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001241008129 1042969697 /nfs/dbraw/zinc/96/96/97/1042969697.db2.gz KQJDQCJZYKRCDA-UHFFFAOYSA-N -1 3 381.501 3.775 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1csnc1-c1ccccc1 ZINC001462702079 1070482993 /nfs/dbraw/zinc/48/29/93/1070482993.db2.gz UGNZIJLJBLPDHN-UHFFFAOYSA-N -1 3 378.906 3.985 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCC)[C@H]2CCc3ccccc3C2)c1 ZINC001292038684 1043573684 /nfs/dbraw/zinc/57/36/84/1043573684.db2.gz GLHZJRHIXJJFCY-IBGZPJMESA-N -1 3 378.472 3.926 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001292433894 1043732092 /nfs/dbraw/zinc/73/20/92/1043732092.db2.gz ZIJHKGOMPMFFPB-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001292433894 1043732105 /nfs/dbraw/zinc/73/21/05/1043732105.db2.gz ZIJHKGOMPMFFPB-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(O)CCC1)c1cccc(Cl)c1Cl ZINC001257293080 1043959183 /nfs/dbraw/zinc/95/91/83/1043959183.db2.gz GBUHZWJTMWZARP-INIZCTEOSA-N -1 3 386.300 3.928 20 0 GHADHM COc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257306369 1043961525 /nfs/dbraw/zinc/96/15/25/1043961525.db2.gz KYMJXMAMKXYTAT-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001294866893 1044821435 /nfs/dbraw/zinc/82/14/35/1044821435.db2.gz FFFMYJQHCLIREX-UHFFFAOYSA-N -1 3 383.398 3.665 20 0 GHADHM O=S(=O)([N-]c1cc(Br)cnc1F)c1ccc(F)cc1Cl ZINC001258910376 1044863835 /nfs/dbraw/zinc/86/38/35/1044863835.db2.gz LQHQNRPOHZRFOG-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1F ZINC001258917575 1044873560 /nfs/dbraw/zinc/87/35/60/1044873560.db2.gz NYCGHXXCHYHNDR-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)nc1Cl ZINC001258921646 1044878996 /nfs/dbraw/zinc/87/89/96/1044878996.db2.gz LVYJORDONKJAEP-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)c(F)cc1Cl ZINC001258926887 1044883319 /nfs/dbraw/zinc/88/33/19/1044883319.db2.gz OAEFJWHMXUQJKI-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC001259136515 1044977104 /nfs/dbraw/zinc/97/71/04/1044977104.db2.gz ASYGUPNKXTWGAU-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cnc2cc(C3CCC3)nn2c1 ZINC001259236137 1045033298 /nfs/dbraw/zinc/03/32/98/1045033298.db2.gz GFAFKFAQJMOGHI-UHFFFAOYSA-N -1 3 376.869 3.592 20 0 GHADHM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1Br ZINC001259312804 1045072373 /nfs/dbraw/zinc/07/23/73/1045072373.db2.gz CYKPRNNQLJOJMK-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)cc1 ZINC001259325419 1045078654 /nfs/dbraw/zinc/07/86/54/1045078654.db2.gz FTMBMSNRNAWYSF-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM O=S(=O)([N-]c1cnncc1Br)c1ccccc1-c1ccccc1 ZINC001259331998 1045082145 /nfs/dbraw/zinc/08/21/45/1045082145.db2.gz AEDWYVSEIUXANF-UHFFFAOYSA-N -1 3 390.262 3.707 20 0 GHADHM O=S(=O)([N-]c1ccc2cc(Cl)cnc2c1)c1ccc(-n2cccn2)cc1 ZINC001259370567 1045107468 /nfs/dbraw/zinc/10/74/68/1045107468.db2.gz OIPYHTFABVRLHJ-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM CC(C)COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259370730 1045107697 /nfs/dbraw/zinc/10/76/97/1045107697.db2.gz QJWUAIHOTJOLIA-UHFFFAOYSA-N -1 3 389.452 3.847 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3c(Cl)ncc4ccccc43)cc2o1 ZINC001259377902 1045111722 /nfs/dbraw/zinc/11/17/22/1045111722.db2.gz UVSWZNBTYIKIFR-UHFFFAOYSA-N -1 3 375.793 3.536 20 0 GHADHM CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC001259383890 1045113030 /nfs/dbraw/zinc/11/30/30/1045113030.db2.gz CZMQMQBOTVHETJ-UHFFFAOYSA-N -1 3 389.477 3.961 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1F ZINC001259472082 1045184387 /nfs/dbraw/zinc/18/43/87/1045184387.db2.gz GWTXLNBJVKEJDH-LLVKDONJSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F ZINC001259471737 1045184777 /nfs/dbraw/zinc/18/47/77/1045184777.db2.gz PPPOOGLHEFGIBE-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cc(F)cc21)c1cccc(Cl)c1F ZINC001259473127 1045185673 /nfs/dbraw/zinc/18/56/73/1045185673.db2.gz HAHSHAJBKZHNSU-LBPRGKRZSA-N -1 3 377.771 3.559 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)cc1F ZINC001259480289 1045190143 /nfs/dbraw/zinc/19/01/43/1045190143.db2.gz AFBSAIRTEADHKC-UHFFFAOYSA-N -1 3 384.473 3.627 20 0 GHADHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)c1 ZINC001462892317 1070631782 /nfs/dbraw/zinc/63/17/82/1070631782.db2.gz QSYHEAAONIDYLR-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC001259489971 1045197531 /nfs/dbraw/zinc/19/75/31/1045197531.db2.gz BCQFSOPEAIKRNA-OAHLLOKOSA-N -1 3 383.416 3.632 20 0 GHADHM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001295941946 1045198731 /nfs/dbraw/zinc/19/87/31/1045198731.db2.gz ROBRSXQHHCEDMX-INIZCTEOSA-N -1 3 383.469 3.901 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc([C@@H]2CN3C=CSC3=N2)c1 ZINC001259491094 1045200850 /nfs/dbraw/zinc/20/08/50/1045200850.db2.gz IDBHYZYVPAVKCS-INIZCTEOSA-N -1 3 389.477 3.866 20 0 GHADHM O=S(=O)([N-]c1cnc(C(F)(F)F)cc1Cl)c1cc(F)c(F)c(F)c1 ZINC001259495894 1045203101 /nfs/dbraw/zinc/20/31/01/1045203101.db2.gz WHKWFQLIGOASPI-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(O)cc1)c1cc(F)c(F)c(F)c1 ZINC001259504692 1045208926 /nfs/dbraw/zinc/20/89/26/1045208926.db2.gz SWTFXRZETWNJJJ-IBGZPJMESA-N -1 3 393.386 3.877 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccn2)cc1)c1cc(F)c(F)c(F)c1 ZINC001259504574 1045209431 /nfs/dbraw/zinc/20/94/31/1045209431.db2.gz JWHDURDBIAFFRK-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2c(F)cc(F)cc21)c1cc(F)c(F)c(F)c1 ZINC001259505276 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3.666 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(Br)c(F)c1F ZINC001260022392 1045359314 /nfs/dbraw/zinc/35/93/14/1045359314.db2.gz SXLCIQDPNKWZIR-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM CC(C)c1cnn2cc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)cnc12 ZINC001260028442 1045362813 /nfs/dbraw/zinc/36/28/13/1045362813.db2.gz PUXBNWZKWNMGMS-UHFFFAOYSA-N -1 3 398.410 3.813 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(C)c4cnccc43)cc2)cn1 ZINC001260093040 1045380528 /nfs/dbraw/zinc/38/05/28/1045380528.db2.gz HGNTVWAIXNDQFI-UHFFFAOYSA-N -1 3 378.457 3.838 20 0 GHADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(Cl)cc1Br ZINC001260112012 1045385651 /nfs/dbraw/zinc/38/56/51/1045385651.db2.gz XVDIZRFJYRPHOX-UHFFFAOYSA-N -1 3 392.706 3.562 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@H](c1ccc(O)cc1)C(F)(F)F ZINC001260137110 1045391739 /nfs/dbraw/zinc/39/17/39/1045391739.db2.gz YBOUVWNJBHHCDH-QGZVFWFLSA-N -1 3 396.390 3.831 20 0 GHADHM O=S(=O)([N-]c1ncc(F)cc1Cl)c1ccc(Oc2ccccn2)cc1 ZINC001260140916 1045394549 /nfs/dbraw/zinc/39/45/49/1045394549.db2.gz UJXNEJYQBDQDGS-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260366633 1045476850 /nfs/dbraw/zinc/47/68/50/1045476850.db2.gz CQBVSHWUNCBQGC-UHFFFAOYSA-N -1 3 382.656 3.555 20 0 GHADHM O=S(=O)([N-]Cc1csc(Cl)c1)c1ccc(Br)cc1F ZINC001260380848 1045484030 /nfs/dbraw/zinc/48/40/30/1045484030.db2.gz DRDNUIOCBLQFSB-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC001462915250 1070657106 /nfs/dbraw/zinc/65/71/06/1070657106.db2.gz UEPYQPVUQHVWRT-GHMZBOCLSA-N -1 3 394.306 3.701 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1F ZINC001260458501 1045501896 /nfs/dbraw/zinc/50/18/96/1045501896.db2.gz ZETZJJLWRIPODX-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](O)CC2 ZINC001260462279 1045503279 /nfs/dbraw/zinc/50/32/79/1045503279.db2.gz FRLKUBUMCPIFLM-HNNXBMFYSA-N -1 3 382.279 3.538 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)c2ccccc12 ZINC001260528342 1045527400 /nfs/dbraw/zinc/52/74/00/1045527400.db2.gz YEPRFENFIXVYLI-UHFFFAOYSA-N -1 3 383.454 3.865 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2Cl)cc1C ZINC001260632158 1045582264 /nfs/dbraw/zinc/58/22/64/1045582264.db2.gz FHOCCSRSPHYIMP-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1c(Cl)cccc1CO ZINC001260785040 1045661733 /nfs/dbraw/zinc/66/17/33/1045661733.db2.gz SWJUXXYLGYGXHS-UHFFFAOYSA-N -1 3 376.261 3.604 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1C(C)C ZINC001260798048 1045671563 /nfs/dbraw/zinc/67/15/63/1045671563.db2.gz LUKNDXIYXFDWED-UHFFFAOYSA-N -1 3 388.489 3.528 20 0 GHADHM CN1Cc2c(cccc2[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC001260823341 1045690158 /nfs/dbraw/zinc/69/01/58/1045690158.db2.gz BDAHJSDUZHOSHA-UHFFFAOYSA-N -1 3 385.272 3.521 20 0 GHADHM CC(C)(C)c1cc2ncc([N-]S(=O)(=O)Cc3cccc(Cl)c3)cn2n1 ZINC001260829474 1045698534 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CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC)c1ccc(C)cc1 ZINC001261063270 1045882219 /nfs/dbraw/zinc/88/22/19/1045882219.db2.gz HTWCAWDKDQBXNC-LBPRGKRZSA-N -1 3 387.910 3.926 20 0 GHADHM COc1cc(C)c(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1C(F)(F)F ZINC001261276670 1045956938 /nfs/dbraw/zinc/95/69/38/1045956938.db2.gz PSCVFUYVTAVQMD-UHFFFAOYSA-N -1 3 387.383 3.801 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001298992494 1045994078 /nfs/dbraw/zinc/99/40/78/1045994078.db2.gz AVRAHADSSUVBRY-UHFFFAOYSA-N -1 3 393.491 3.886 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001298992494 1045994080 /nfs/dbraw/zinc/99/40/80/1045994080.db2.gz AVRAHADSSUVBRY-UHFFFAOYSA-N -1 3 393.491 3.886 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccsc1)c1ccc(C(F)(F)F)nc1Cl ZINC001261800169 1046096975 /nfs/dbraw/zinc/09/69/75/1046096975.db2.gz HYTIVXKBIHKJFZ-DTWKUNHWSA-N -1 3 382.816 3.650 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ncco1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001299944308 1046103650 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0 GHADHM Cc1nc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001263487945 1046883627 /nfs/dbraw/zinc/88/36/27/1046883627.db2.gz VZXGRCSFGVYAOZ-HNNXBMFYSA-N -1 3 396.520 3.651 20 0 GHADHM O=C([N-]Cc1cc2cnccc2o1)C(F)(F)c1ccccc1Br ZINC001302828370 1047128393 /nfs/dbraw/zinc/12/83/93/1047128393.db2.gz GRWITBPJRHSZEQ-UHFFFAOYSA-N -1 3 381.176 3.999 20 0 GHADHM O=C([N-]OCCCC(F)(F)F)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001302859566 1047150462 /nfs/dbraw/zinc/15/04/62/1047150462.db2.gz QFLKCEUNZOUGAJ-LBPRGKRZSA-N -1 3 387.427 3.903 20 0 GHADHM CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])Cc2cccnc21 ZINC001302885548 1047168166 /nfs/dbraw/zinc/16/81/66/1047168166.db2.gz AUINNHFLBJESRP-UHFFFAOYSA-N -1 3 375.428 3.672 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCO2)s1 ZINC001264001361 1047209922 /nfs/dbraw/zinc/20/99/22/1047209922.db2.gz SYDXORPQUCSXIA-CHWSQXEVSA-N -1 3 381.498 3.664 20 0 GHADHM O=C(NCCc1cc(Cl)cc(Br)c1)c1cc2c(cc1[O-])OCO2 ZINC001303063815 1047267703 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GHADHM CCc1cc(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1Cl ZINC001320899121 1056006105 /nfs/dbraw/zinc/00/61/05/1056006105.db2.gz DFNDNMYLHOVBOE-UHFFFAOYSA-N -1 3 388.807 3.780 20 0 GHADHM [O-]c1ccc(I)cc1NC(=S)NC1CCCCC1 ZINC001200650650 1056593421 /nfs/dbraw/zinc/59/34/21/1056593421.db2.gz AVYALOKAACWPBH-UHFFFAOYSA-N -1 3 376.263 3.616 20 0 GHADHM COC(=O)C1([N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)CCCCCC1 ZINC001354948766 1056992400 /nfs/dbraw/zinc/99/24/00/1056992400.db2.gz XVAHADXXMBIDNT-UHFFFAOYSA-N -1 3 389.826 3.823 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000848325327 1057011750 /nfs/dbraw/zinc/01/17/50/1057011750.db2.gz UVPIAELPXJYOGC-OAHLLOKOSA-N -1 3 398.381 3.731 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1C ZINC001324235330 1057094337 /nfs/dbraw/zinc/09/43/37/1057094337.db2.gz IOGSUMSVNITTFO-UHFFFAOYSA-N -1 3 396.774 3.583 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001355286666 1057106704 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GHADHM CC1(C)CC[C@H](CC(=O)Nc2ccc(I)cc2[O-])OC1 ZINC001447623596 1059989762 /nfs/dbraw/zinc/98/97/62/1059989762.db2.gz BXCTZTIJTFQNNW-LLVKDONJSA-N -1 3 389.233 3.531 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cc(F)cc(Br)c1 ZINC001447903570 1060059098 /nfs/dbraw/zinc/05/90/98/1060059098.db2.gz LPVILKXJDRDIGL-LBPRGKRZSA-N -1 3 380.204 3.706 20 0 GHADHM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC001448903657 1060293576 /nfs/dbraw/zinc/29/35/76/1060293576.db2.gz GKNRZJIYUVPECD-GFCCVEGCSA-N -1 3 393.256 3.645 20 0 GHADHM O=C(CSCc1ccc(Br)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450053311 1060511698 /nfs/dbraw/zinc/51/16/98/1060511698.db2.gz AUOGAMXKJDFJSD-UHFFFAOYSA-N -1 3 392.278 3.903 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H](CO)c1ccc(Cl)cc1 ZINC001450055774 1060513475 /nfs/dbraw/zinc/51/34/75/1060513475.db2.gz MPHPYSQGUABAAV-MRXNPFEDSA-N -1 3 391.254 3.641 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001450654227 1060643343 /nfs/dbraw/zinc/64/33/43/1060643343.db2.gz GOBOKFLNJFCZHP-UHFFFAOYSA-N -1 3 389.814 3.657 20 0 GHADHM O=C(N[C@H](C1CC1)C1CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001450913986 1060715759 /nfs/dbraw/zinc/71/57/59/1060715759.db2.gz ZJSANKLGBCYPPV-INIZCTEOSA-N -1 3 375.266 3.599 20 0 GHADHM O=C(N[C@@H](C1CC1)C1CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001450913989 1060716702 /nfs/dbraw/zinc/71/67/02/1060716702.db2.gz ZJSANKLGBCYPPV-MRXNPFEDSA-N -1 3 375.266 3.599 20 0 GHADHM O=C([C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452727907 1060995011 /nfs/dbraw/zinc/99/50/11/1060995011.db2.gz OWKWGCPDBHZTBF-UZLBHIALSA-N -1 3 381.863 3.917 20 0 GHADHM O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452731372 1060995833 /nfs/dbraw/zinc/99/58/33/1060995833.db2.gz XZTYTBUEYSYLMR-ZDUSSCGKSA-N -1 3 385.370 3.816 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c1 ZINC001452943919 1061047210 /nfs/dbraw/zinc/04/72/10/1061047210.db2.gz OMYVRFHPPBVQFP-KRWDZBQOSA-N -1 3 382.435 3.893 20 0 GHADHM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001453495101 1061142039 /nfs/dbraw/zinc/14/20/39/1061142039.db2.gz GBKSFJAAXHWJRF-INIZCTEOSA-N -1 3 392.352 3.803 20 0 GHADHM O=C(N[C@H](CCc1ccccc1)C(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001453495103 1061142662 /nfs/dbraw/zinc/14/26/62/1061142662.db2.gz GBKSFJAAXHWJRF-MRXNPFEDSA-N -1 3 392.352 3.803 20 0 GHADHM CC(C)c1ocnc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001346267737 1061486250 /nfs/dbraw/zinc/48/62/50/1061486250.db2.gz FMAJXQVVORUPMT-LSDHHAIUSA-N -1 3 393.281 3.861 20 0 GHADHM CCOC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(CC)cc3[O-])cc2F)n1 ZINC001454611593 1061880808 /nfs/dbraw/zinc/88/08/08/1061880808.db2.gz FARJNAJGYYTBMA-UHFFFAOYSA-N -1 3 397.406 3.708 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1csc(C)c1C ZINC001454629395 1061889064 /nfs/dbraw/zinc/88/90/64/1061889064.db2.gz LFJLJDMNUPPXDU-UHFFFAOYSA-N -1 3 384.461 3.910 20 0 GHADHM CCCC1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC001434877926 1062072389 /nfs/dbraw/zinc/07/23/89/1062072389.db2.gz WHZAUZFVCPXSGV-UHFFFAOYSA-N -1 3 398.544 3.991 20 0 GHADHM O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001455424036 1062139829 /nfs/dbraw/zinc/13/98/29/1062139829.db2.gz LTIVDDBJKWCGPP-HXUWFJFHSA-N -1 3 395.886 3.970 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)c(C)o1 ZINC001434945647 1062141971 /nfs/dbraw/zinc/14/19/71/1062141971.db2.gz QIKQALCOGRXPBL-UHFFFAOYSA-N -1 3 377.809 3.799 20 0 GHADHM O=C(NCc1cc(Br)c2ccccc2c1)c1cnc(C2CC2)[n-]c1=O ZINC001455587999 1062229896 /nfs/dbraw/zinc/22/98/96/1062229896.db2.gz YFJYTJUZANGMDV-UHFFFAOYSA-N -1 3 398.260 3.905 20 0 GHADHM CC[S@](=O)(=NC(=O)c1c(C)[n-]c(=O)nc1SC)c1cccc(Cl)c1 ZINC001347598040 1062516064 /nfs/dbraw/zinc/51/60/64/1062516064.db2.gz XDPZXDHKEZHWRG-XMMPIXPASA-N -1 3 385.898 3.553 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(Cl)cc1 ZINC001435441705 1062611056 /nfs/dbraw/zinc/61/10/56/1062611056.db2.gz XSUWRRLFVIYAHM-HNNXBMFYSA-N -1 3 385.769 3.992 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)[n-]n1 ZINC001456327702 1062615312 /nfs/dbraw/zinc/61/53/12/1062615312.db2.gz CIRYPUKLVWKCSW-UHFFFAOYSA-N -1 3 382.420 3.591 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n[n-]1 ZINC001456327702 1062615319 /nfs/dbraw/zinc/61/53/19/1062615319.db2.gz CIRYPUKLVWKCSW-UHFFFAOYSA-N -1 3 382.420 3.591 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(OCCC)c1 ZINC001456332915 1062620430 /nfs/dbraw/zinc/62/04/30/1062620430.db2.gz NCZDYLUBAZWJJC-UHFFFAOYSA-N -1 3 389.452 3.805 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(OCCC)c1 ZINC001456332915 1062620442 /nfs/dbraw/zinc/62/04/42/1062620442.db2.gz NCZDYLUBAZWJJC-UHFFFAOYSA-N -1 3 389.452 3.805 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456389148 1062655558 /nfs/dbraw/zinc/65/55/58/1062655558.db2.gz VMYNZDTWWDIZHP-SECBINFHSA-N -1 3 381.383 3.746 20 0 GHADHM Cc1noc(Cc2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2)n1 ZINC001456573051 1062757578 /nfs/dbraw/zinc/75/75/78/1062757578.db2.gz VPLMKMUENNMITH-UHFFFAOYSA-N -1 3 392.390 3.510 20 0 GHADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001435636220 1062800453 /nfs/dbraw/zinc/80/04/53/1062800453.db2.gz YKMXBDJACWBXIT-UHFFFAOYSA-N -1 3 380.458 3.679 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(C)c(OC(F)F)c(C)c2)c([O-])c(OC)c1 ZINC001456746712 1062837919 /nfs/dbraw/zinc/83/79/19/1062837919.db2.gz OROPOTYCDWRVDP-UHFFFAOYSA-N -1 3 395.358 3.658 20 0 GHADHM COc1ccc(CCCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001456798639 1062860864 /nfs/dbraw/zinc/86/08/64/1062860864.db2.gz FGAQVDMVSNNDEU-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM COc1ccc(CCCC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001456798639 1062860888 /nfs/dbraw/zinc/86/08/88/1062860888.db2.gz FGAQVDMVSNNDEU-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Cl)c(Br)cc1F ZINC001456854612 1062897012 /nfs/dbraw/zinc/89/70/12/1062897012.db2.gz NEISDBXABQWKCF-UHFFFAOYSA-N -1 3 387.571 3.676 20 0 GHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c2c(n1)onc2C(C)C ZINC001456934855 1062923826 /nfs/dbraw/zinc/92/38/26/1062923826.db2.gz KPAWONLSKPOBNC-HDJSIYSDSA-N -1 3 395.463 3.606 20 0 GHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc(C)c1OC(F)F ZINC001456941191 1062925591 /nfs/dbraw/zinc/92/55/91/1062925591.db2.gz ZXESNFPRQDBAPY-CTYIDZIISA-N -1 3 391.418 3.857 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2nnc3n(Cc4ccc(F)cc4)[nH]c(C)c2-3)c1 ZINC001457555912 1063244723 /nfs/dbraw/zinc/24/47/23/1063244723.db2.gz MZJIAUTXWFXHRA-UHFFFAOYSA-N -1 3 393.422 3.776 20 0 GHADHM CO[C@@H](C)c1nsc([N-]C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1 ZINC001436229100 1063310707 /nfs/dbraw/zinc/31/07/07/1063310707.db2.gz GIKMUNQCBLDUOB-VIFPVBQESA-N -1 3 395.847 3.784 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCOc2cc(Cl)ccc2Cl)n1 ZINC001348956451 1063440458 /nfs/dbraw/zinc/44/04/58/1063440458.db2.gz VVFDYKOPLBTBQA-UHFFFAOYSA-N -1 3 384.263 3.618 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@@]1(F)Cl ZINC001349565186 1063794096 /nfs/dbraw/zinc/79/40/96/1063794096.db2.gz YZUAXLVMRIGQQO-QWRGUYRKSA-N -1 3 395.205 3.737 20 0 GHADHM [O-]c1cc(F)c(CCNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c(F)c1 ZINC001458646790 1063911167 /nfs/dbraw/zinc/91/11/67/1063911167.db2.gz LJJKRGURLWVFRC-UHFFFAOYSA-N -1 3 396.319 3.618 20 0 GHADHM CSc1nc2ccccc2c(C)c1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001437666583 1063914257 /nfs/dbraw/zinc/91/42/57/1063914257.db2.gz WJASAATXIZTDLA-UHFFFAOYSA-N -1 3 376.459 3.514 20 0 GHADHM O=c1[n-]c(CSc2ncc(-c3ccc(Cl)cc3)o2)nc2c1COCC2 ZINC001458887780 1063955959 /nfs/dbraw/zinc/95/59/59/1063955959.db2.gz GIRPTAPZHJUWGU-UHFFFAOYSA-N -1 3 375.837 3.856 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001349970872 1063956184 /nfs/dbraw/zinc/95/61/84/1063956184.db2.gz SGALDTDVYLQRED-JTSKRJEESA-N -1 3 376.412 3.780 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001463404178 1064318960 /nfs/dbraw/zinc/31/89/60/1064318960.db2.gz NUMCXNJWVZWBIE-RYUDHWBXSA-N -1 3 388.942 3.822 20 0 GHADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1nnc2ccccc2n1 ZINC001351248116 1064327095 /nfs/dbraw/zinc/32/70/95/1064327095.db2.gz KWVGRFYALUHUQQ-UHFFFAOYSA-N -1 3 384.461 3.714 20 0 GHADHM COc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c(OC)c1 ZINC001463578612 1064476333 /nfs/dbraw/zinc/47/63/33/1064476333.db2.gz VUPYUDIJQDMUNM-UHFFFAOYSA-N -1 3 380.400 3.641 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(Cl)cc1 ZINC001463615580 1064503630 /nfs/dbraw/zinc/50/36/30/1064503630.db2.gz YKGZHSSSBNBEMI-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1 ZINC001463620974 1064506155 /nfs/dbraw/zinc/50/61/55/1064506155.db2.gz ZXBAKBSAUYNSGM-ZDUSSCGKSA-N -1 3 378.252 3.799 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(Br)n1 ZINC001463638065 1064517940 /nfs/dbraw/zinc/51/79/40/1064517940.db2.gz MOUGXEIMOYXVQU-JSGCOSHPSA-N -1 3 399.285 3.598 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001463706801 1064560803 /nfs/dbraw/zinc/56/08/03/1064560803.db2.gz LSWLZBZSMPYPSA-DZGCQCFKSA-N -1 3 389.370 3.688 20 0 GHADHM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)CC=C(Cl)Cl)C(=O)OC(C)(C)C ZINC001463722068 1064570028 /nfs/dbraw/zinc/57/00/28/1064570028.db2.gz GFMBFTBYFYKOSJ-LLVKDONJSA-N -1 3 388.357 3.761 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCc2ccccc21)c1ccc(Br)s1 ZINC001463796647 1064626390 /nfs/dbraw/zinc/62/63/90/1064626390.db2.gz UPSPKZAPJPSVJB-GFCCVEGCSA-N -1 3 386.336 3.909 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1c[nH]c2cc(Br)ccc21 ZINC001463820312 1064647453 /nfs/dbraw/zinc/64/74/53/1064647453.db2.gz FNCCQHPPWDIJPQ-LBPRGKRZSA-N -1 3 397.216 3.550 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001463823079 1064649732 /nfs/dbraw/zinc/64/97/32/1064649732.db2.gz XGQSJKYGQVDGPV-HXPMCKFVSA-N -1 3 393.892 3.929 20 0 GHADHM CCC1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCC(F)(F)CC1 ZINC000847096125 1064696593 /nfs/dbraw/zinc/69/65/93/1064696593.db2.gz BPFBCNHLTXXYNA-UHFFFAOYSA-N -1 3 384.389 3.509 20 0 GHADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001463998545 1064761015 /nfs/dbraw/zinc/76/10/15/1064761015.db2.gz GQAILFQLBBMUQY-CHWSQXEVSA-N -1 3 396.347 3.849 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(CCc2ccccc2)CC(C)C)c([O-])c1 ZINC001464002273 1064764200 /nfs/dbraw/zinc/76/42/00/1064764200.db2.gz AZBWZPYAFDUREU-UHFFFAOYSA-N -1 3 382.504 3.548 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)c([O-])c1 ZINC001352168428 1064901732 /nfs/dbraw/zinc/90/17/32/1064901732.db2.gz DDXNGIRWSNNIIZ-UHFFFAOYSA-N -1 3 397.397 3.695 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(-n4ccnc4)cc3)c2)n1 ZINC001464244402 1064924436 /nfs/dbraw/zinc/92/44/36/1064924436.db2.gz ZYWNXFIQNUWKPY-UHFFFAOYSA-N -1 3 399.454 3.779 20 0 GHADHM CC(C)(CNC(=O)c1ccc2oc(=S)[n-]c2c1)N1CCc2ccccc2C1 ZINC001464491865 1065043866 /nfs/dbraw/zinc/04/38/66/1065043866.db2.gz JBUPQNIISCKJJD-UHFFFAOYSA-N -1 3 381.501 3.683 20 0 GHADHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC001464534626 1065068005 /nfs/dbraw/zinc/06/80/05/1065068005.db2.gz BZEQGJZFIZQKBD-INIZCTEOSA-N -1 3 383.416 3.533 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)sc1Br ZINC001464769523 1065201655 /nfs/dbraw/zinc/20/16/55/1065201655.db2.gz GRSRKFQLAKHLPM-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001465018283 1065331031 /nfs/dbraw/zinc/33/10/31/1065331031.db2.gz XFUQNOAGTCKQCS-FQEVSTJZSA-N -1 3 375.428 3.588 20 0 GHADHM CCc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC001465123400 1065400373 /nfs/dbraw/zinc/40/03/73/1065400373.db2.gz NVEWPUZVDUQKDO-SFHVURJKSA-N -1 3 384.476 3.950 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)CCC(C)(C)C ZINC001465258318 1065505811 /nfs/dbraw/zinc/50/58/11/1065505811.db2.gz VOTWTTQTOUPRPW-ZDUSSCGKSA-N -1 3 397.475 3.937 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3ccsc3s2)c(Cl)c1 ZINC001465303850 1065534398 /nfs/dbraw/zinc/53/43/98/1065534398.db2.gz ZQRBDGPKVUOUHP-UHFFFAOYSA-N -1 3 387.895 3.635 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)[C@@H](c2ccccc2)CO1 ZINC001465448765 1065624592 /nfs/dbraw/zinc/62/45/92/1065624592.db2.gz ZAXIADCMXBEXCE-FZKQIMNGSA-N -1 3 382.847 3.784 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 ZINC001300201139 1065666432 /nfs/dbraw/zinc/66/64/32/1065666432.db2.gz JXXNQINWTOKREB-UHFFFAOYSA-N -1 3 392.440 3.804 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC001465954379 1065936713 /nfs/dbraw/zinc/93/67/13/1065936713.db2.gz GGZLCEZOCADNJA-UHFFFAOYSA-N -1 3 388.439 3.529 20 0 GHADHM COc1cc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1OC(C)C ZINC001466094569 1065980925 /nfs/dbraw/zinc/98/09/25/1065980925.db2.gz HRTRBSZYHNPMQZ-VIFPVBQESA-N -1 3 387.362 3.502 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC001466439835 1066155483 /nfs/dbraw/zinc/15/54/83/1066155483.db2.gz QWLAVWFELBLTES-UHFFFAOYSA-N -1 3 376.250 3.670 20 0 GHADHM N[C@@H]1CCCn2nc(C(=O)Nc3c([O-])c(Cl)cc(Cl)c3Cl)cc21 ZINC001353772261 1066239145 /nfs/dbraw/zinc/23/91/45/1066239145.db2.gz AKOXFLBAIMHDLT-MRVPVSSYSA-N -1 3 375.643 3.595 20 0 GHADHM CCc1noc(-c2ccc([N-]C(=O)c3c(OC)nsc3OC)c(Cl)c2)n1 ZINC001466815236 1066331895 /nfs/dbraw/zinc/33/18/95/1066331895.db2.gz SRJIDXAZGWWMFE-UHFFFAOYSA-N -1 3 394.840 3.678 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1Cc2ccc(Cl)cc21 ZINC001466818362 1066335088 /nfs/dbraw/zinc/33/50/88/1066335088.db2.gz IQDQCENQUORPQX-LBPRGKRZSA-N -1 3 399.615 3.929 20 0 GHADHM C[C@@H](CN(C)C(=O)c1cc2c(cc1[O-])OCO2)Oc1ccc(Cl)c(Cl)c1 ZINC001466880118 1066364031 /nfs/dbraw/zinc/36/40/31/1066364031.db2.gz AFXPVWKXMMBVBX-JTQLQIEISA-N -1 3 398.242 3.967 20 0 GHADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001466886590 1066367814 /nfs/dbraw/zinc/36/78/14/1066367814.db2.gz TYYBZSRXTIWWSY-KAMYIIQDSA-N -1 3 392.908 3.887 20 0 GHADHM CC[C@H](C)CC[C@@H](O)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001466940335 1066403083 /nfs/dbraw/zinc/40/30/83/1066403083.db2.gz QWAHFPIEIAWPRO-SMDDNHRTSA-N -1 3 376.266 3.713 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC001358497519 1067546658 /nfs/dbraw/zinc/54/66/58/1067546658.db2.gz MKRIUXSFPWWZQU-KRWDZBQOSA-N -1 3 395.377 3.655 20 0 GHADHM CN=[S@](C)(=O)c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001468042062 1067577377 /nfs/dbraw/zinc/57/73/77/1067577377.db2.gz QVJLEBDHHXBPCS-AREMUKBSSA-N -1 3 389.864 3.520 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001468802797 1067890177 /nfs/dbraw/zinc/89/01/77/1067890177.db2.gz RRNZKOSAQOCHSP-LLVKDONJSA-N -1 3 395.352 3.603 20 0 GHADHM Cc1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cccc1N(C)C ZINC001546173786 1068100584 /nfs/dbraw/zinc/10/05/84/1068100584.db2.gz OKZBWZHDXDSWFU-UHFFFAOYSA-N -1 3 377.444 3.998 20 0 GHADHM O=C(NCCC[C@H]1CC1(Cl)Cl)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001469675423 1068301149 /nfs/dbraw/zinc/30/11/49/1068301149.db2.gz WUELQSDMECGAEW-QMMMGPOBSA-N -1 3 375.202 3.510 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001469697201 1068318857 /nfs/dbraw/zinc/31/88/57/1068318857.db2.gz DTGUUHOGMGDQTJ-UHFFFAOYSA-N -1 3 386.452 3.503 20 0 GHADHM Cc1nc([N-]C(=O)c2ncc(C(F)(F)F)cc2Cl)nn1-c1ccccc1 ZINC001460271428 1068899171 /nfs/dbraw/zinc/89/91/71/1068899171.db2.gz KFFMQUNUEITBEX-UHFFFAOYSA-N -1 3 381.745 3.895 20 0 GHADHM COC(=O)c1cc2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2s1 ZINC001460470351 1068972694 /nfs/dbraw/zinc/97/26/94/1068972694.db2.gz FFAJZIHSGHYCRG-UHFFFAOYSA-N -1 3 378.409 3.782 20 0 GHADHM CS(=O)(=O)c1c(F)cccc1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001460841160 1069212986 /nfs/dbraw/zinc/21/29/86/1069212986.db2.gz UBGZGMNOWIELJZ-UHFFFAOYSA-N -1 3 397.296 3.779 20 0 GHADHM COc1cccc([O-])c1C(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001470601428 1072643890 /nfs/dbraw/zinc/64/38/90/1072643890.db2.gz JIVHWUQNZUSDAC-UHFFFAOYSA-N -1 3 391.471 3.811 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)ccc2c1 ZINC001472093096 1073331206 /nfs/dbraw/zinc/33/12/06/1073331206.db2.gz LGWIUEPSCHPKIM-UITAMQMPSA-N -1 3 379.416 3.789 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)ccc2c1 ZINC001472093096 1073331217 /nfs/dbraw/zinc/33/12/17/1073331217.db2.gz LGWIUEPSCHPKIM-UITAMQMPSA-N -1 3 379.416 3.789 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472108850 1073336442 /nfs/dbraw/zinc/33/64/42/1073336442.db2.gz BACHIPYHXVQCSO-PSASIEDQSA-N -1 3 376.766 3.512 20 0 GHADHM C[C@@H](NC(=O)CC(C)(C)CC(=O)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110021 1073336887 /nfs/dbraw/zinc/33/68/87/1073336887.db2.gz AWGYDPAOOMXTAT-LLVKDONJSA-N -1 3 382.386 3.690 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc([C@H]2CCCOC2)cc1 ZINC001472288853 1073401033 /nfs/dbraw/zinc/40/10/33/1073401033.db2.gz MMYSVHVAWZQKQG-WDSOQIARSA-N 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1074352861 /nfs/dbraw/zinc/35/28/61/1074352861.db2.gz UHTIVMWGRYIYLN-YVMONPNESA-N -1 3 387.321 3.986 20 0 GHADHM Cc1cc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cc(C)c1O ZINC001474588392 1074473406 /nfs/dbraw/zinc/47/34/06/1074473406.db2.gz IXWJBVXOAXKEMC-INIZCTEOSA-N -1 3 378.394 3.619 20 0 GHADHM COC(=O)[C@@H]1CN(Cc2ccc([O-])c(F)c2F)C[C@H]1c1ccc(Cl)cc1 ZINC001474603722 1074480418 /nfs/dbraw/zinc/48/04/18/1074480418.db2.gz SGEMBXZBIJFGTH-LSDHHAIUSA-N -1 3 381.806 3.712 20 0 GHADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)N(C)C)cc1 ZINC001474776083 1074555871 /nfs/dbraw/zinc/55/58/71/1074555871.db2.gz WDNSTPNPLFCKDP-HNNXBMFYSA-N -1 3 386.970 3.854 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cscc2Br)o1 ZINC001474853676 1074594283 /nfs/dbraw/zinc/59/42/83/1074594283.db2.gz YTVVSSLORFBWCN-SCZZXKLOSA-N -1 3 376.297 3.706 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC001474944689 1074644539 /nfs/dbraw/zinc/64/45/39/1074644539.db2.gz MYUGAJJKSVCKFN-SFHVURJKSA-N -1 3 385.407 3.932 20 0 GHADHM O=S(=O)([N-]CCOC1CCCCCC1)c1csc(-c2ccccc2)n1 ZINC001474973290 1074660803 /nfs/dbraw/zinc/66/08/03/1074660803.db2.gz AIWSIVMAKNZDGJ-UHFFFAOYSA-N -1 3 380.535 3.828 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c(F)c1 ZINC001474979205 1074664468 /nfs/dbraw/zinc/66/44/68/1074664468.db2.gz FKSKLXWCLJMHIL-GOSISDBHSA-N -1 3 391.464 3.822 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)s1 ZINC001475036622 1074700984 /nfs/dbraw/zinc/70/09/84/1074700984.db2.gz MUUMMHDOBOMASM-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)c21 ZINC001475067361 1074720750 /nfs/dbraw/zinc/72/07/50/1074720750.db2.gz BIHGUDQALXCODR-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2sc(Br)cc2C)C[C@H]1OC ZINC001475125779 1074747623 /nfs/dbraw/zinc/74/76/23/1074747623.db2.gz DSZRDGWGPFGSBQ-GHMZBOCLSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(Br)c1 ZINC001475128241 1074748931 /nfs/dbraw/zinc/74/89/31/1074748931.db2.gz NEVBJCYOZCBDQV-LLVKDONJSA-N -1 3 396.734 3.648 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC001475128633 1074748968 /nfs/dbraw/zinc/74/89/68/1074748968.db2.gz YYQMEZYAFBCTLH-CQSZACIVSA-N -1 3 383.313 3.994 20 0 GHADHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475135331 1074752530 /nfs/dbraw/zinc/75/25/30/1074752530.db2.gz ZVJSYNZMODJGCN-BZHVJNSISA-N -1 3 385.835 3.697 20 0 GHADHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001475251839 1074805745 /nfs/dbraw/zinc/80/57/45/1074805745.db2.gz AKCXCMQLKWKCJX-UHFFFAOYSA-N -1 3 392.365 3.754 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(Cl)c2nonc21 ZINC001475267570 1074813210 /nfs/dbraw/zinc/81/32/10/1074813210.db2.gz AHIQWNNGKNOSEA-AAEUAGOBSA-N -1 3 395.843 3.630 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001475356878 1074846231 /nfs/dbraw/zinc/84/62/31/1074846231.db2.gz FJNBVBLSLPGATI-YPMLDQLKSA-N -1 3 392.839 3.828 20 0 GHADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC001475372299 1074852755 /nfs/dbraw/zinc/85/27/55/1074852755.db2.gz OLIVSNGASNNAAO-CHWSQXEVSA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1ccc(C(F)(F)F)nc1Cl ZINC001475375528 1074853312 /nfs/dbraw/zinc/85/33/12/1074853312.db2.gz KEQGGDHBOLTANG-GXSJLCMTSA-N -1 3 394.777 3.727 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c2ccco2)cc1 ZINC001475398369 1074861084 /nfs/dbraw/zinc/86/10/84/1074861084.db2.gz WLTHTHXTKABQFJ-IBGZPJMESA-N -1 3 393.411 3.943 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(COc3ccc(F)cc3)cc2)o1 ZINC001475432684 1074874082 /nfs/dbraw/zinc/87/40/82/1074874082.db2.gz CILLDHNVRLDEEZ-UHFFFAOYSA-N -1 3 375.421 3.785 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001475583086 1074920313 /nfs/dbraw/zinc/92/03/13/1074920313.db2.gz LOZYEMHYIXLHND-RDTXWAMCSA-N -1 3 396.915 3.668 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)CC1CCCCC1 ZINC001475622884 1074929439 /nfs/dbraw/zinc/92/94/39/1074929439.db2.gz LLTOHCWXQKBRPS-UHFFFAOYSA-N -1 3 397.390 3.542 20 0 GHADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)OC1 ZINC001475626035 1074930205 /nfs/dbraw/zinc/93/02/05/1074930205.db2.gz PXZHHWRYMCCIRL-LLVKDONJSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001475661214 1074995176 /nfs/dbraw/zinc/99/51/76/1074995176.db2.gz UBYPWIKLCLBXHP-BXKDBHETSA-N -1 3 392.226 3.772 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCSC(C)(C)C2)c(F)cc1Br ZINC001475728075 1075010275 /nfs/dbraw/zinc/01/02/75/1075010275.db2.gz OTGIZURWOJYWQX-SNVBAGLBSA-N -1 3 396.347 3.849 20 0 GHADHM O=S(=O)([N-][C@H]1CCSC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC001475750522 1075014130 /nfs/dbraw/zinc/01/41/30/1075014130.db2.gz IJKVERIKOGKDNI-NSHDSACASA-N -1 3 383.432 3.941 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCCCCC1 ZINC001475765254 1075017124 /nfs/dbraw/zinc/01/71/24/1075017124.db2.gz SZRKVEGAXFTSIX-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM COc1nc2ccccc2cc1CN[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001607356906 1126233656 /nfs/dbraw/zinc/23/36/56/1126233656.db2.gz JEWKPYVNYWLEMQ-IBGZPJMESA-N -1 3 376.412 3.775 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1Br ZINC000008500161 204278357 /nfs/dbraw/zinc/27/83/57/204278357.db2.gz ICSRZTVKTUQRNW-VIFPVBQESA-N -1 3 376.222 3.767 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c3cccc1c23 ZINC000071974213 205300889 /nfs/dbraw/zinc/30/08/89/205300889.db2.gz BTKVDAFQVBFSNK-UHFFFAOYSA-N -1 3 376.796 3.999 20 0 GHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3nn(C)cc3Br)s2)c1 ZINC000514802631 564458296 /nfs/dbraw/zinc/45/82/96/564458296.db2.gz DACCFWNIZHBCBL-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM S=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC1CCCCC1 ZINC000738401341 598828686 /nfs/dbraw/zinc/82/86/86/598828686.db2.gz OWKPWZHISMNTAQ-UHFFFAOYSA-N -1 3 398.561 3.892 20 0 GHADHM FC(F)Oc1ccc(NCc2ccccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000737639107 598832123 /nfs/dbraw/zinc/83/21/23/598832123.db2.gz OBUMEJCNYIHXJG-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM FC(F)Oc1ccc(NCc2ccccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000737639107 598832126 /nfs/dbraw/zinc/83/21/26/598832126.db2.gz OBUMEJCNYIHXJG-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc(F)c(F)c1 ZINC000738111041 598834871 /nfs/dbraw/zinc/83/48/71/598834871.db2.gz FLEPNAIEDJWPBB-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736400614 598837440 /nfs/dbraw/zinc/83/74/40/598837440.db2.gz PRTLVMPOKQTFEG-HNNXBMFYSA-N -1 3 395.463 3.834 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736400614 598837442 /nfs/dbraw/zinc/83/74/42/598837442.db2.gz PRTLVMPOKQTFEG-HNNXBMFYSA-N -1 3 395.463 3.834 20 0 GHADHM CCCCS[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736463825 598839754 /nfs/dbraw/zinc/83/97/54/598839754.db2.gz QZWBZVMWIGHQIB-CQSZACIVSA-N -1 3 399.524 3.530 20 0 GHADHM Cc1cn2nc(NCc3cccc(-c4ccc(-c5nnn[n-]5)s4)c3)sc2n1 ZINC000737445929 598854361 /nfs/dbraw/zinc/85/43/61/598854361.db2.gz LUELAJFHGHMRJI-UHFFFAOYSA-N -1 3 394.489 3.620 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897457 598878851 /nfs/dbraw/zinc/87/88/51/598878851.db2.gz MRXDAHNGJLRCPS-FQEVSTJZSA-N -1 3 385.427 3.860 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897457 598878853 /nfs/dbraw/zinc/87/88/53/598878853.db2.gz MRXDAHNGJLRCPS-FQEVSTJZSA-N -1 3 385.427 3.860 20 0 GHADHM CCSc1ccc([C@H](C)N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736666153 598883905 /nfs/dbraw/zinc/88/39/05/598883905.db2.gz LRDUPDLCOUYNQT-SCLBCKFNSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@H](C)N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666153 598883906 /nfs/dbraw/zinc/88/39/06/598883906.db2.gz LRDUPDLCOUYNQT-SCLBCKFNSA-N -1 3 397.504 3.544 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036648 598884270 /nfs/dbraw/zinc/88/42/70/598884270.db2.gz FUJBHAAVNCXARP-JYKYSHPRSA-N -1 3 390.852 3.606 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036648 598884271 /nfs/dbraw/zinc/88/42/71/598884271.db2.gz FUJBHAAVNCXARP-JYKYSHPRSA-N -1 3 390.852 3.606 20 0 GHADHM Fc1cccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)C(F)F)c1 ZINC000737661676 598900815 /nfs/dbraw/zinc/90/08/15/598900815.db2.gz OQLVMBZFCMWHJJ-UHFFFAOYSA-N -1 3 397.351 3.908 20 0 GHADHM Fc1cccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)C(F)F)c1 ZINC000737661676 598900816 /nfs/dbraw/zinc/90/08/16/598900816.db2.gz OQLVMBZFCMWHJJ-UHFFFAOYSA-N -1 3 397.351 3.908 20 0 GHADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Nc2ccccc2)c1 ZINC000737924734 598910749 /nfs/dbraw/zinc/91/07/49/598910749.db2.gz JPMASMFJTNZOPF-UHFFFAOYSA-N -1 3 386.415 3.628 20 0 GHADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Nc2ccccc2)c1 ZINC000737924734 598910751 /nfs/dbraw/zinc/91/07/51/598910751.db2.gz JPMASMFJTNZOPF-UHFFFAOYSA-N -1 3 386.415 3.628 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736248526 598925774 /nfs/dbraw/zinc/92/57/74/598925774.db2.gz IZMBYUJNNYNBHX-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736248526 598925776 /nfs/dbraw/zinc/92/57/76/598925776.db2.gz IZMBYUJNNYNBHX-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)c2cccnc12 ZINC000737032136 598938419 /nfs/dbraw/zinc/93/84/19/598938419.db2.gz IITDYUQXQMWIBI-UHFFFAOYSA-N -1 3 397.822 3.535 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)c2cccnc12 ZINC000737032136 598938420 /nfs/dbraw/zinc/93/84/20/598938420.db2.gz IITDYUQXQMWIBI-UHFFFAOYSA-N -1 3 397.822 3.535 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736202677 598944431 /nfs/dbraw/zinc/94/44/31/598944431.db2.gz KOHZAFADWIHXQI-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736202677 598944432 /nfs/dbraw/zinc/94/44/32/598944432.db2.gz KOHZAFADWIHXQI-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OCC1CC1 ZINC000737942148 598946590 /nfs/dbraw/zinc/94/65/90/598946590.db2.gz VWCRBXQENKNCEN-UHFFFAOYSA-N -1 3 399.451 3.525 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OCC1CC1 ZINC000737942148 598946592 /nfs/dbraw/zinc/94/65/92/598946592.db2.gz VWCRBXQENKNCEN-UHFFFAOYSA-N -1 3 399.451 3.525 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000736713052 598961436 /nfs/dbraw/zinc/96/14/36/598961436.db2.gz MHYRLEZSOKTNJN-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000736713052 598961438 /nfs/dbraw/zinc/96/14/38/598961438.db2.gz MHYRLEZSOKTNJN-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCCC1 ZINC000736742911 598977351 /nfs/dbraw/zinc/97/73/51/598977351.db2.gz UHTYQBXGOJNYMG-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM OCCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738395098 598978512 /nfs/dbraw/zinc/97/85/12/598978512.db2.gz VWFCOEFSBWNUSN-MRXNPFEDSA-N -1 3 377.370 3.811 20 0 GHADHM OCCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738395098 598978513 /nfs/dbraw/zinc/97/85/13/598978513.db2.gz VWFCOEFSBWNUSN-MRXNPFEDSA-N -1 3 377.370 3.811 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000737394735 598988254 /nfs/dbraw/zinc/98/82/54/598988254.db2.gz UXDPIOQNRCITQU-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000737394735 598988255 /nfs/dbraw/zinc/98/82/55/598988255.db2.gz UXDPIOQNRCITQU-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000735828859 598988589 /nfs/dbraw/zinc/98/85/89/598988589.db2.gz ACNCMGIYWNBUCO-UHFFFAOYSA-N -1 3 393.466 3.722 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000735828859 598988591 /nfs/dbraw/zinc/98/85/91/598988591.db2.gz ACNCMGIYWNBUCO-UHFFFAOYSA-N -1 3 393.466 3.722 20 0 GHADHM Cc1c(NCC(=O)Nc2ccccc2SC(F)F)cccc1-c1nnn[n-]1 ZINC000822122305 607256604 /nfs/dbraw/zinc/25/66/04/607256604.db2.gz KSZIAYILJLGCEJ-UHFFFAOYSA-N -1 3 390.419 3.540 20 0 GHADHM Cc1c(NCC(=O)Nc2ccccc2SC(F)F)cccc1-c1nn[n-]n1 ZINC000822122305 607256605 /nfs/dbraw/zinc/25/66/05/607256605.db2.gz KSZIAYILJLGCEJ-UHFFFAOYSA-N -1 3 390.419 3.540 20 0 GHADHM CCCN(CC(C)C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736471776 598989305 /nfs/dbraw/zinc/98/93/05/598989305.db2.gz WHHVXAWWOCZYOP-UHFFFAOYSA-N -1 3 393.491 3.954 20 0 GHADHM CCCN(CC(C)C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736471776 598989307 /nfs/dbraw/zinc/98/93/07/598989307.db2.gz WHHVXAWWOCZYOP-UHFFFAOYSA-N -1 3 393.491 3.954 20 0 GHADHM CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCCCC1 ZINC000736221803 598995189 /nfs/dbraw/zinc/99/51/89/598995189.db2.gz AWZBGYXJAIUPCJ-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736423273 598998519 /nfs/dbraw/zinc/99/85/19/598998519.db2.gz NEVCAJAQRHEWLJ-SFHVURJKSA-N -1 3 379.464 3.754 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736200155 599012061 /nfs/dbraw/zinc/01/20/61/599012061.db2.gz CAQZWZXOEXURAT-INIZCTEOSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736200155 599012063 /nfs/dbraw/zinc/01/20/63/599012063.db2.gz CAQZWZXOEXURAT-INIZCTEOSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@@H]1CCC[C@@H](CCNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253989 599016633 /nfs/dbraw/zinc/01/66/33/599016633.db2.gz XDQKBACFBQSZII-SJORKVTESA-N -1 3 385.512 3.748 20 0 GHADHM C[C@@H]1CCC[C@@H](CCNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253989 599016636 /nfs/dbraw/zinc/01/66/36/599016636.db2.gz XDQKBACFBQSZII-SJORKVTESA-N -1 3 385.512 3.748 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1Oc1ccccn1 ZINC000738236470 599017177 /nfs/dbraw/zinc/01/71/77/599017177.db2.gz ZQCDOQVYKOSVSB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1Oc1ccccn1 ZINC000738236470 599017179 /nfs/dbraw/zinc/01/71/79/599017179.db2.gz ZQCDOQVYKOSVSB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505817 599034539 /nfs/dbraw/zinc/03/45/39/599034539.db2.gz SFVSSNJMCJABPZ-OAHLLOKOSA-N -1 3 388.475 3.809 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505817 599034541 /nfs/dbraw/zinc/03/45/41/599034541.db2.gz SFVSSNJMCJABPZ-OAHLLOKOSA-N -1 3 388.475 3.809 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738206937 599036048 /nfs/dbraw/zinc/03/60/48/599036048.db2.gz IDECKPVLNSLNNW-GHMZBOCLSA-N -1 3 395.366 3.569 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738206937 599036051 /nfs/dbraw/zinc/03/60/51/599036051.db2.gz IDECKPVLNSLNNW-GHMZBOCLSA-N -1 3 395.366 3.569 20 0 GHADHM Cc1cccc2c(CC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)c[nH]c21 ZINC000737410616 599036160 /nfs/dbraw/zinc/03/61/60/599036160.db2.gz WAQIAYWXFLZHTF-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1cccc2c(CC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)c[nH]c21 ZINC000737410616 599036162 /nfs/dbraw/zinc/03/61/62/599036162.db2.gz WAQIAYWXFLZHTF-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCSc3ccccc32)n1 ZINC000737631013 599044846 /nfs/dbraw/zinc/04/48/46/599044846.db2.gz BBSSLCNUNSFKOA-NSHDSACASA-N -1 3 378.383 3.930 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCSc3ccccc32)n1 ZINC000737631013 599044850 /nfs/dbraw/zinc/04/48/50/599044850.db2.gz BBSSLCNUNSFKOA-NSHDSACASA-N -1 3 378.383 3.930 20 0 GHADHM Fc1ccc(C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737649005 599047673 /nfs/dbraw/zinc/04/76/73/599047673.db2.gz KTVBJQDVXUBJQM-ZDUSSCGKSA-N -1 3 392.360 3.631 20 0 GHADHM Fc1ccc(C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737649005 599047676 /nfs/dbraw/zinc/04/76/76/599047676.db2.gz KTVBJQDVXUBJQM-ZDUSSCGKSA-N -1 3 392.360 3.631 20 0 GHADHM CCCN(Cc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736479872 599048649 /nfs/dbraw/zinc/04/86/49/599048649.db2.gz KPXCMJDEQGPITO-UHFFFAOYSA-N -1 3 380.349 3.836 20 0 GHADHM CCCN(Cc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736479872 599048653 /nfs/dbraw/zinc/04/86/53/599048653.db2.gz KPXCMJDEQGPITO-UHFFFAOYSA-N -1 3 380.349 3.836 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737199696 599051289 /nfs/dbraw/zinc/05/12/89/599051289.db2.gz ORTNSCLSSFFLMI-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737199696 599051292 /nfs/dbraw/zinc/05/12/92/599051292.db2.gz ORTNSCLSSFFLMI-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM Cc1ccc(C)n1C1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737329955 599052005 /nfs/dbraw/zinc/05/20/05/599052005.db2.gz LYPAYYODRRYXQO-UHFFFAOYSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1ccc(C)n1C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737329955 599052010 /nfs/dbraw/zinc/05/20/10/599052010.db2.gz LYPAYYODRRYXQO-UHFFFAOYSA-N -1 3 391.401 3.540 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738178344 599053334 /nfs/dbraw/zinc/05/33/34/599053334.db2.gz KAJSKKUXBCDTNJ-CYBMUJFWSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738178344 599053337 /nfs/dbraw/zinc/05/33/37/599053337.db2.gz KAJSKKUXBCDTNJ-CYBMUJFWSA-N -1 3 396.760 3.945 20 0 GHADHM COc1ccc(-c2ccc(CNc3nnc(C)c(C)c3-c3nnn[n-]3)cc2)cc1 ZINC000821727323 599057784 /nfs/dbraw/zinc/05/77/84/599057784.db2.gz HPXOUVPSPQIEAJ-UHFFFAOYSA-N -1 3 387.447 3.561 20 0 GHADHM COc1ccc(-c2ccc(CNc3nnc(C)c(C)c3-c3nn[n-]n3)cc2)cc1 ZINC000821727323 599057787 /nfs/dbraw/zinc/05/77/87/599057787.db2.gz HPXOUVPSPQIEAJ-UHFFFAOYSA-N -1 3 387.447 3.561 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CC2)c1 ZINC000737399947 599058680 /nfs/dbraw/zinc/05/86/80/599058680.db2.gz PZSVBGHRDIVVBT-UHFFFAOYSA-N -1 3 391.479 3.592 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CC2)c1 ZINC000737399947 599058682 /nfs/dbraw/zinc/05/86/82/599058682.db2.gz PZSVBGHRDIVVBT-UHFFFAOYSA-N -1 3 391.479 3.592 20 0 GHADHM O=C([C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1)N1CCCCC1 ZINC000737780597 599063929 /nfs/dbraw/zinc/06/39/29/599063929.db2.gz DBFFLSBCZMKRGB-SFHVURJKSA-N -1 3 397.479 3.852 20 0 GHADHM O=C([C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1)N1CCCCC1 ZINC000737780597 599063931 /nfs/dbraw/zinc/06/39/31/599063931.db2.gz DBFFLSBCZMKRGB-SFHVURJKSA-N -1 3 397.479 3.852 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)c(Cl)c1 ZINC000737946972 599065794 /nfs/dbraw/zinc/06/57/94/599065794.db2.gz KCALAQZOSYCMQE-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)c(Cl)c1 ZINC000737946972 599065797 /nfs/dbraw/zinc/06/57/97/599065797.db2.gz KCALAQZOSYCMQE-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738162370 599069897 /nfs/dbraw/zinc/06/98/97/599069897.db2.gz BYWPGPXYVGSOCL-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738162370 599069900 /nfs/dbraw/zinc/06/99/00/599069900.db2.gz BYWPGPXYVGSOCL-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccco1 ZINC000735558936 599072449 /nfs/dbraw/zinc/07/24/49/599072449.db2.gz IBFGNGZKBZGFQF-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccco1 ZINC000735558936 599072452 /nfs/dbraw/zinc/07/24/52/599072452.db2.gz IBFGNGZKBZGFQF-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM O=C(C1CCCCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737790108 599075107 /nfs/dbraw/zinc/07/51/07/599075107.db2.gz FJTRMXHNRPULRI-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(C1CCCCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737790108 599075111 /nfs/dbraw/zinc/07/51/11/599075111.db2.gz FJTRMXHNRPULRI-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CCSCc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736668009 599083865 /nfs/dbraw/zinc/08/38/65/599083865.db2.gz WCYFLBRKEZMSDE-UHFFFAOYSA-N -1 3 385.518 3.851 20 0 GHADHM CCSCc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736668009 599083866 /nfs/dbraw/zinc/08/38/66/599083866.db2.gz WCYFLBRKEZMSDE-UHFFFAOYSA-N -1 3 385.518 3.851 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736235116 599090290 /nfs/dbraw/zinc/09/02/90/599090290.db2.gz MJAITZSWHRKYDD-SPYBWZPUSA-N -1 3 393.516 3.752 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736235116 599090293 /nfs/dbraw/zinc/09/02/93/599090293.db2.gz MJAITZSWHRKYDD-SPYBWZPUSA-N -1 3 393.516 3.752 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736224290 599094014 /nfs/dbraw/zinc/09/40/14/599094014.db2.gz SBGPCMMPWCOCCG-URXFXBBRSA-N -1 3 395.466 3.994 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736224290 599094017 /nfs/dbraw/zinc/09/40/17/599094017.db2.gz SBGPCMMPWCOCCG-URXFXBBRSA-N -1 3 395.466 3.994 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113009 599103299 /nfs/dbraw/zinc/10/32/99/599103299.db2.gz VZZJYSJDLWUDDM-VCBZYWHSSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113009 599103301 /nfs/dbraw/zinc/10/33/01/599103301.db2.gz VZZJYSJDLWUDDM-VCBZYWHSSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1OC(F)F ZINC000736191950 599109117 /nfs/dbraw/zinc/10/91/17/599109117.db2.gz KAIQOPRPJGLIRR-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1OC(F)F ZINC000736191950 599109119 /nfs/dbraw/zinc/10/91/19/599109119.db2.gz KAIQOPRPJGLIRR-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C)cs1 ZINC000736312320 599117043 /nfs/dbraw/zinc/11/70/43/599117043.db2.gz BHVMYOGJMXBFOC-INIZCTEOSA-N -1 3 391.888 3.732 20 0 GHADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C)cs1 ZINC000736312320 599117046 /nfs/dbraw/zinc/11/70/46/599117046.db2.gz BHVMYOGJMXBFOC-INIZCTEOSA-N -1 3 391.888 3.732 20 0 GHADHM O=C(c1ccc(OC2CCC2)cc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823488627 599138077 /nfs/dbraw/zinc/13/80/77/599138077.db2.gz QKSYVLCZCHCGRW-UHFFFAOYSA-N -1 3 389.459 3.603 20 0 GHADHM O=C(c1ccc(OC2CCC2)cc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823488627 599138080 /nfs/dbraw/zinc/13/80/80/599138080.db2.gz QKSYVLCZCHCGRW-UHFFFAOYSA-N -1 3 389.459 3.603 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822431766 599141443 /nfs/dbraw/zinc/14/14/43/599141443.db2.gz ISGQFNGUSYTXFN-UHFFFAOYSA-N -1 3 382.493 3.561 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822431766 599141447 /nfs/dbraw/zinc/14/14/47/599141447.db2.gz ISGQFNGUSYTXFN-UHFFFAOYSA-N -1 3 382.493 3.561 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2sccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148140 599143380 /nfs/dbraw/zinc/14/33/80/599143380.db2.gz LSXWZJRCTBUXNE-SJKOYZFVSA-N -1 3 399.545 3.868 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2sccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148140 599143381 /nfs/dbraw/zinc/14/33/81/599143381.db2.gz LSXWZJRCTBUXNE-SJKOYZFVSA-N -1 3 399.545 3.868 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735874925 599159938 /nfs/dbraw/zinc/15/99/38/599159938.db2.gz NWGQMCHKGLEVLH-CVEARBPZSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735874925 599159939 /nfs/dbraw/zinc/15/99/39/599159939.db2.gz NWGQMCHKGLEVLH-CVEARBPZSA-N -1 3 397.429 3.686 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737421240 599161301 /nfs/dbraw/zinc/16/13/01/599161301.db2.gz KPXCHQYMNGOBFH-INIZCTEOSA-N -1 3 395.532 3.718 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737421240 599161304 /nfs/dbraw/zinc/16/13/04/599161304.db2.gz KPXCHQYMNGOBFH-INIZCTEOSA-N -1 3 395.532 3.718 20 0 GHADHM Cc1cc(N2CCC[C@@H]2c2ccco2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271596 599169297 /nfs/dbraw/zinc/16/92/97/599169297.db2.gz MEQYSDHOLURIRC-MRXNPFEDSA-N -1 3 385.431 3.911 20 0 GHADHM Cc1cc(N2CCC[C@@H]2c2ccco2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271596 599169298 /nfs/dbraw/zinc/16/92/98/599169298.db2.gz MEQYSDHOLURIRC-MRXNPFEDSA-N -1 3 385.431 3.911 20 0 GHADHM Cc1ccc([C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000737321081 599171023 /nfs/dbraw/zinc/17/10/23/599171023.db2.gz YRQNOUMHJRGGQV-LJQANCHMSA-N -1 3 397.479 3.674 20 0 GHADHM Cc1ccc([C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000737321081 599171026 /nfs/dbraw/zinc/17/10/26/599171026.db2.gz YRQNOUMHJRGGQV-LJQANCHMSA-N -1 3 397.479 3.674 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737317464 599176207 /nfs/dbraw/zinc/17/62/07/599176207.db2.gz LLGXKQSJXGYUDU-UHFFFAOYSA-N -1 3 380.521 3.782 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737317464 599176209 /nfs/dbraw/zinc/17/62/09/599176209.db2.gz LLGXKQSJXGYUDU-UHFFFAOYSA-N -1 3 380.521 3.782 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000737025821 599180136 /nfs/dbraw/zinc/18/01/36/599180136.db2.gz NRQYPNJHPDAANV-SNVBAGLBSA-N -1 3 392.337 3.603 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000737025821 599180139 /nfs/dbraw/zinc/18/01/39/599180139.db2.gz NRQYPNJHPDAANV-SNVBAGLBSA-N -1 3 392.337 3.603 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1cccc(F)c1 ZINC000735829737 599183526 /nfs/dbraw/zinc/18/35/26/599183526.db2.gz NBRYZQQTFSWRBG-OAHLLOKOSA-N -1 3 381.455 3.794 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1cccc(F)c1 ZINC000735829737 599183528 /nfs/dbraw/zinc/18/35/28/599183528.db2.gz NBRYZQQTFSWRBG-OAHLLOKOSA-N -1 3 381.455 3.794 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000736095252 599182389 /nfs/dbraw/zinc/18/23/89/599182389.db2.gz DCMHKAXUQOGTDY-NEPJUHHUSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000736095252 599182391 /nfs/dbraw/zinc/18/23/91/599182391.db2.gz DCMHKAXUQOGTDY-NEPJUHHUSA-N -1 3 389.381 3.866 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1Cc2ccccc21 ZINC000738174400 599186214 /nfs/dbraw/zinc/18/62/14/599186214.db2.gz YVXFTZYYJKQOIS-HXUWFJFHSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1Cc2ccccc21 ZINC000738174400 599186215 /nfs/dbraw/zinc/18/62/15/599186215.db2.gz YVXFTZYYJKQOIS-HXUWFJFHSA-N -1 3 383.411 3.937 20 0 GHADHM CN(CC(F)F)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736787613 599195717 /nfs/dbraw/zinc/19/57/17/599195717.db2.gz CYEXSMFNXHJJML-UHFFFAOYSA-N -1 3 393.781 3.650 20 0 GHADHM CN(CC(F)F)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736787613 599195719 /nfs/dbraw/zinc/19/57/19/599195719.db2.gz CYEXSMFNXHJJML-UHFFFAOYSA-N -1 3 393.781 3.650 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000737997533 599198213 /nfs/dbraw/zinc/19/82/13/599198213.db2.gz WUHTXIJZYSYHNA-KRWDZBQOSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000737997533 599198214 /nfs/dbraw/zinc/19/82/14/599198214.db2.gz WUHTXIJZYSYHNA-KRWDZBQOSA-N -1 3 375.457 3.642 20 0 GHADHM C[C@H]1C[C@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736236470 599199196 /nfs/dbraw/zinc/19/91/96/599199196.db2.gz JWKKTXPLONCCRO-AAEUAGOBSA-N -1 3 383.839 3.698 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000736635705 599200148 /nfs/dbraw/zinc/20/01/48/599200148.db2.gz YAXJCKIMIKXREP-UHFFFAOYSA-N -1 3 376.420 3.616 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000736635705 599200149 /nfs/dbraw/zinc/20/01/49/599200149.db2.gz YAXJCKIMIKXREP-UHFFFAOYSA-N -1 3 376.420 3.616 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737215542 599209380 /nfs/dbraw/zinc/20/93/80/599209380.db2.gz LKTBRBCCLWLSRM-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737215542 599209382 /nfs/dbraw/zinc/20/93/82/599209382.db2.gz LKTBRBCCLWLSRM-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820020626 599210771 /nfs/dbraw/zinc/21/07/71/599210771.db2.gz IRCOGPLGTMWMCX-HXUWFJFHSA-N -1 3 395.482 3.664 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820020626 599210774 /nfs/dbraw/zinc/21/07/74/599210774.db2.gz IRCOGPLGTMWMCX-HXUWFJFHSA-N -1 3 395.482 3.664 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823478698 599213467 /nfs/dbraw/zinc/21/34/67/599213467.db2.gz PQGKUBAVMOKCEO-UHFFFAOYSA-N -1 3 385.402 3.876 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823478698 599213469 /nfs/dbraw/zinc/21/34/69/599213469.db2.gz PQGKUBAVMOKCEO-UHFFFAOYSA-N -1 3 385.402 3.876 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822231764 599221411 /nfs/dbraw/zinc/22/14/11/599221411.db2.gz GRQYINAKDOPPAF-XUWXXGDYSA-N -1 3 395.463 3.535 20 0 GHADHM CCOc1cccc(NC(=S)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000821431418 599226041 /nfs/dbraw/zinc/22/60/41/599226041.db2.gz UCDFLVWNRYLVEE-UHFFFAOYSA-N -1 3 394.504 3.627 20 0 GHADHM CCOc1cccc(NC(=S)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000821431418 599226044 /nfs/dbraw/zinc/22/60/44/599226044.db2.gz UCDFLVWNRYLVEE-UHFFFAOYSA-N -1 3 394.504 3.627 20 0 GHADHM Cc1c(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822108970 607268301 /nfs/dbraw/zinc/26/83/01/607268301.db2.gz NWQQCVQYCAXKCB-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1c(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822108970 607268302 /nfs/dbraw/zinc/26/83/02/607268302.db2.gz NWQQCVQYCAXKCB-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379515 599242634 /nfs/dbraw/zinc/24/26/34/599242634.db2.gz CKNJJABVDMPVIY-HNNXBMFYSA-N -1 3 391.479 3.740 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379515 599242636 /nfs/dbraw/zinc/24/26/36/599242636.db2.gz CKNJJABVDMPVIY-HNNXBMFYSA-N -1 3 391.479 3.740 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccccc1-c1ccccc1 ZINC000823238865 599244945 /nfs/dbraw/zinc/24/49/45/599244945.db2.gz SBWHYBDUIURLAH-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccccc1-c1ccccc1 ZINC000823238865 599244946 /nfs/dbraw/zinc/24/49/46/599244946.db2.gz SBWHYBDUIURLAH-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM CCN(C(=O)c1cc2cc(F)ccc2o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506423 599247667 /nfs/dbraw/zinc/24/76/67/599247667.db2.gz XZLBZKGWKBCINM-LBPRGKRZSA-N -1 3 379.395 3.975 20 0 GHADHM CCN(C(=O)c1cc2cc(F)ccc2o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506423 599247669 /nfs/dbraw/zinc/24/76/69/599247669.db2.gz XZLBZKGWKBCINM-LBPRGKRZSA-N -1 3 379.395 3.975 20 0 GHADHM O=C(/C=C/C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000737794245 599248595 /nfs/dbraw/zinc/24/85/95/599248595.db2.gz CEFRVCSJTARYMN-DHZHZOJOSA-N -1 3 393.413 3.894 20 0 GHADHM O=C(/C=C/C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000737794245 599248597 /nfs/dbraw/zinc/24/85/97/599248597.db2.gz CEFRVCSJTARYMN-DHZHZOJOSA-N -1 3 393.413 3.894 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822084904 607280639 /nfs/dbraw/zinc/28/06/39/607280639.db2.gz RUVYPHOQABHTIC-WBVHZDCISA-N -1 3 376.464 3.660 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822084904 607280640 /nfs/dbraw/zinc/28/06/40/607280640.db2.gz RUVYPHOQABHTIC-WBVHZDCISA-N -1 3 376.464 3.660 20 0 GHADHM CCC(CC)c1nnc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000820897333 599252376 /nfs/dbraw/zinc/25/23/76/599252376.db2.gz AGHVSBAIDZKTMP-JTQLQIEISA-N -1 3 386.485 3.505 20 0 GHADHM CCC(CC)c1nnc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820897333 599252378 /nfs/dbraw/zinc/25/23/78/599252378.db2.gz AGHVSBAIDZKTMP-JTQLQIEISA-N -1 3 386.485 3.505 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccccc2OC(F)F)cccc1-c1nnn[n-]1 ZINC000822091402 607283364 /nfs/dbraw/zinc/28/33/64/607283364.db2.gz QNDBYBNMUYWHBV-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccccc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822091402 607283365 /nfs/dbraw/zinc/28/33/65/607283365.db2.gz QNDBYBNMUYWHBV-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)cccc1-c1nnn[n-]1 ZINC000822091403 607283388 /nfs/dbraw/zinc/28/33/88/607283388.db2.gz QNDBYBNMUYWHBV-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822091403 607283389 /nfs/dbraw/zinc/28/33/89/607283389.db2.gz QNDBYBNMUYWHBV-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339241 599256852 /nfs/dbraw/zinc/25/68/52/599256852.db2.gz AJQXDEKAFUJIEU-GQIGUUNPSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339241 599256853 /nfs/dbraw/zinc/25/68/53/599256853.db2.gz AJQXDEKAFUJIEU-GQIGUUNPSA-N -1 3 390.491 3.763 20 0 GHADHM CSc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000821983012 607302261 /nfs/dbraw/zinc/30/22/61/607302261.db2.gz CRDBNMFTBITHEF-UHFFFAOYSA-N -1 3 381.248 3.543 20 0 GHADHM CSc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000821983012 607302262 /nfs/dbraw/zinc/30/22/62/607302262.db2.gz CRDBNMFTBITHEF-UHFFFAOYSA-N -1 3 381.248 3.543 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000821104533 607302755 /nfs/dbraw/zinc/30/27/55/607302755.db2.gz HODLNAHYADWLEQ-UHFFFAOYSA-N -1 3 391.435 3.760 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000821104533 607302756 /nfs/dbraw/zinc/30/27/56/607302756.db2.gz HODLNAHYADWLEQ-UHFFFAOYSA-N -1 3 391.435 3.760 20 0 GHADHM CC(C)CCOc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820076591 599266310 /nfs/dbraw/zinc/26/63/10/599266310.db2.gz OGOVDAZEAXCQBW-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CC(C)CCOc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820076591 599266312 /nfs/dbraw/zinc/26/63/12/599266312.db2.gz OGOVDAZEAXCQBW-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CSc4ccccc43)c2c1 ZINC000737645426 599269770 /nfs/dbraw/zinc/26/97/70/599269770.db2.gz XSPVXSLEYRXKRA-CQSZACIVSA-N -1 3 382.399 3.952 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CSc4ccccc43)c2c1 ZINC000737645426 599269771 /nfs/dbraw/zinc/26/97/71/599269771.db2.gz XSPVXSLEYRXKRA-CQSZACIVSA-N -1 3 382.399 3.952 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000822217489 599270153 /nfs/dbraw/zinc/27/01/53/599270153.db2.gz GATSXGXYODNIIF-UHFFFAOYSA-N -1 3 382.855 3.896 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000822217489 599270155 /nfs/dbraw/zinc/27/01/55/599270155.db2.gz GATSXGXYODNIIF-UHFFFAOYSA-N -1 3 382.855 3.896 20 0 GHADHM C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820373511 599276091 /nfs/dbraw/zinc/27/60/91/599276091.db2.gz JABWIOLKMJGHLY-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820373511 599276092 /nfs/dbraw/zinc/27/60/92/599276092.db2.gz JABWIOLKMJGHLY-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684359 599275829 /nfs/dbraw/zinc/27/58/29/599275829.db2.gz GUQHNFSKGFHBGN-GUYCJALGSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684359 599275831 /nfs/dbraw/zinc/27/58/31/599275831.db2.gz GUQHNFSKGFHBGN-GUYCJALGSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000736682275 599275939 /nfs/dbraw/zinc/27/59/39/599275939.db2.gz AAQSCVBRDXQSFG-OAHLLOKOSA-N -1 3 397.483 3.948 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000736682275 599275942 /nfs/dbraw/zinc/27/59/42/599275942.db2.gz AAQSCVBRDXQSFG-OAHLLOKOSA-N -1 3 397.483 3.948 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cccc(C)c1C ZINC000736488473 599277468 /nfs/dbraw/zinc/27/74/68/599277468.db2.gz RMWUDILZGVCDAI-UHFFFAOYSA-N -1 3 394.479 3.713 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000736488957 599278204 /nfs/dbraw/zinc/27/82/04/599278204.db2.gz VXFIVHLCOYDGEY-UHFFFAOYSA-N -1 3 388.378 3.542 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380647 599285933 /nfs/dbraw/zinc/28/59/33/599285933.db2.gz XUZVFMMXFAWBAH-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380647 599285935 /nfs/dbraw/zinc/28/59/35/599285935.db2.gz XUZVFMMXFAWBAH-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190978 599286953 /nfs/dbraw/zinc/28/69/53/599286953.db2.gz GKQIQQSWSNEEHF-LBPRGKRZSA-N -1 3 390.476 3.708 20 0 GHADHM C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190978 599286955 /nfs/dbraw/zinc/28/69/55/599286955.db2.gz GKQIQQSWSNEEHF-LBPRGKRZSA-N -1 3 390.476 3.708 20 0 GHADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821988018 607321152 /nfs/dbraw/zinc/32/11/52/607321152.db2.gz BHWMUWOVQHELDP-UHFFFAOYSA-N -1 3 397.508 3.545 20 0 GHADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821988018 607321153 /nfs/dbraw/zinc/32/11/53/607321153.db2.gz BHWMUWOVQHELDP-UHFFFAOYSA-N -1 3 397.508 3.545 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000823303803 599290336 /nfs/dbraw/zinc/29/03/36/599290336.db2.gz WAJVIDNGXCQOKX-HIFRSBDPSA-N -1 3 388.353 3.563 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000823303803 599290338 /nfs/dbraw/zinc/29/03/38/599290338.db2.gz WAJVIDNGXCQOKX-HIFRSBDPSA-N -1 3 388.353 3.563 20 0 GHADHM O=C(OC1(c2ccccc2Br)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823393538 607322940 /nfs/dbraw/zinc/32/29/40/607322940.db2.gz ZGDHUQACVYKGAU-UHFFFAOYSA-N -1 3 391.250 3.537 20 0 GHADHM O=C(OC1(c2ccccc2Br)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823393538 607322941 /nfs/dbraw/zinc/32/29/41/607322941.db2.gz ZGDHUQACVYKGAU-UHFFFAOYSA-N -1 3 391.250 3.537 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CSc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736278567 599291089 /nfs/dbraw/zinc/29/10/89/599291089.db2.gz HITAIFSVUYMEQU-GWCFXTLKSA-N -1 3 397.529 3.881 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CSc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736278567 599291092 /nfs/dbraw/zinc/29/10/92/599291092.db2.gz HITAIFSVUYMEQU-GWCFXTLKSA-N -1 3 397.529 3.881 20 0 GHADHM CCC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000820842626 607325732 /nfs/dbraw/zinc/32/57/32/607325732.db2.gz OTOFCGIKEQBKBB-LLVKDONJSA-N -1 3 398.854 3.552 20 0 GHADHM CCC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000820842626 607325733 /nfs/dbraw/zinc/32/57/33/607325733.db2.gz OTOFCGIKEQBKBB-LLVKDONJSA-N -1 3 398.854 3.552 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822462364 607344785 /nfs/dbraw/zinc/34/47/85/607344785.db2.gz ICOQYGQCUBWODY-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822462364 607344787 /nfs/dbraw/zinc/34/47/87/607344787.db2.gz ICOQYGQCUBWODY-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735839498 598231436 /nfs/dbraw/zinc/23/14/36/598231436.db2.gz WNCTYTAIWPELHO-AWEZNQCLSA-N -1 3 381.436 3.659 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735839498 598231437 /nfs/dbraw/zinc/23/14/37/598231437.db2.gz WNCTYTAIWPELHO-AWEZNQCLSA-N -1 3 381.436 3.659 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc2c(c1)COC2 ZINC000738184218 598233097 /nfs/dbraw/zinc/23/30/97/598233097.db2.gz MZUKGJXKTMQXFY-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc2c(c1)COC2 ZINC000738184218 598233098 /nfs/dbraw/zinc/23/30/98/598233098.db2.gz MZUKGJXKTMQXFY-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM Cc1nc(SCC(=O)NCCCCC(C)(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737483181 598234537 /nfs/dbraw/zinc/23/45/37/598234537.db2.gz MBRABYTZYHCZTE-UHFFFAOYSA-N -1 3 390.557 3.612 20 0 GHADHM Cc1nc(SCC(=O)NCCCCC(C)(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737483181 598234539 /nfs/dbraw/zinc/23/45/39/598234539.db2.gz MBRABYTZYHCZTE-UHFFFAOYSA-N -1 3 390.557 3.612 20 0 GHADHM CCOc1c(Cl)cc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000736626175 598240701 /nfs/dbraw/zinc/24/07/01/598240701.db2.gz DVSVYQGYVJGUFF-UHFFFAOYSA-N -1 3 377.807 3.679 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738152184 598264195 /nfs/dbraw/zinc/26/41/95/598264195.db2.gz QKLAFCNOAUVAQL-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738152184 598264197 /nfs/dbraw/zinc/26/41/97/598264197.db2.gz QKLAFCNOAUVAQL-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(NCc1ccoc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738124780 598268014 /nfs/dbraw/zinc/26/80/14/598268014.db2.gz ROVQQMXPOLBOPP-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM O=C(NCc1ccoc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124780 598268015 /nfs/dbraw/zinc/26/80/15/598268015.db2.gz ROVQQMXPOLBOPP-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110654 598268632 /nfs/dbraw/zinc/26/86/32/598268632.db2.gz IZLANERBZSMGCJ-CQSZACIVSA-N -1 3 380.452 3.675 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110654 598268633 /nfs/dbraw/zinc/26/86/33/598268633.db2.gz IZLANERBZSMGCJ-CQSZACIVSA-N -1 3 380.452 3.675 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1OC ZINC000737090857 598274021 /nfs/dbraw/zinc/27/40/21/598274021.db2.gz VCDBJIMDKYBDJS-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM Cn1c2ccccc2nc1[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737591394 598275304 /nfs/dbraw/zinc/27/53/04/598275304.db2.gz KFFRZDYAKSRORC-OAQYLSRUSA-N -1 3 395.470 3.633 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000735661575 598275812 /nfs/dbraw/zinc/27/58/12/598275812.db2.gz UYXDQISSCWBRIR-MRXNPFEDSA-N -1 3 397.458 3.931 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000735661575 598275814 /nfs/dbraw/zinc/27/58/14/598275814.db2.gz UYXDQISSCWBRIR-MRXNPFEDSA-N -1 3 397.458 3.931 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737077793 598277093 /nfs/dbraw/zinc/27/70/93/598277093.db2.gz YOZQBJKEIWAMFS-CYBMUJFWSA-N -1 3 397.483 3.623 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737077793 598277094 /nfs/dbraw/zinc/27/70/94/598277094.db2.gz YOZQBJKEIWAMFS-CYBMUJFWSA-N -1 3 397.483 3.623 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735811729 598284088 /nfs/dbraw/zinc/28/40/88/598284088.db2.gz SBRYISJSVTZOEO-HNNXBMFYSA-N -1 3 394.479 3.622 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735811729 598284091 /nfs/dbraw/zinc/28/40/91/598284091.db2.gz SBRYISJSVTZOEO-HNNXBMFYSA-N -1 3 394.479 3.622 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000737464070 598289710 /nfs/dbraw/zinc/28/97/10/598289710.db2.gz DBTLNVBWNPTDHH-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM O=C(CSc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737947456 598294696 /nfs/dbraw/zinc/29/46/96/598294696.db2.gz MZGPMRVHKLFAKZ-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737947456 598294697 /nfs/dbraw/zinc/29/46/97/598294697.db2.gz MZGPMRVHKLFAKZ-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(NCC1CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000738043224 598294851 /nfs/dbraw/zinc/29/48/51/598294851.db2.gz AUKRCAVIXSKDQW-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM O=C(NCC1CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000738043224 598294853 /nfs/dbraw/zinc/29/48/53/598294853.db2.gz AUKRCAVIXSKDQW-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM C[C@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000736018965 598296545 /nfs/dbraw/zinc/29/65/45/598296545.db2.gz YDZCZWPITJXJJP-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM C[C@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000736018965 598296547 /nfs/dbraw/zinc/29/65/47/598296547.db2.gz YDZCZWPITJXJJP-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1(C(F)(F)F)CC1 ZINC000738206897 598296706 /nfs/dbraw/zinc/29/67/06/598296706.db2.gz HWJFDIPTCGUAFB-UHFFFAOYSA-N -1 3 385.415 3.868 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1(C(F)(F)F)CC1 ZINC000738206897 598296708 /nfs/dbraw/zinc/29/67/08/598296708.db2.gz HWJFDIPTCGUAFB-UHFFFAOYSA-N -1 3 385.415 3.868 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000736019440 598296963 /nfs/dbraw/zinc/29/69/63/598296963.db2.gz FMDIRSGGVGOXHE-JTQLQIEISA-N -1 3 376.247 3.707 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000736019440 598296965 /nfs/dbraw/zinc/29/69/65/598296965.db2.gz FMDIRSGGVGOXHE-JTQLQIEISA-N -1 3 376.247 3.707 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736324130 598297114 /nfs/dbraw/zinc/29/71/14/598297114.db2.gz BVLCKCDSNDBZHT-LHNRBYRGSA-N -1 3 377.448 3.720 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736324130 598297116 /nfs/dbraw/zinc/29/71/16/598297116.db2.gz BVLCKCDSNDBZHT-LHNRBYRGSA-N -1 3 377.448 3.720 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736330422 598297159 /nfs/dbraw/zinc/29/71/59/598297159.db2.gz YAZIDWXVMLBINS-WONIAPNHSA-N -1 3 394.431 3.671 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736330422 598297161 /nfs/dbraw/zinc/29/71/61/598297161.db2.gz YAZIDWXVMLBINS-WONIAPNHSA-N -1 3 394.431 3.671 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736324218 598297560 /nfs/dbraw/zinc/29/75/60/598297560.db2.gz CATXNWGESHBTEW-IEZBTEQYSA-N -1 3 395.438 3.859 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736324218 598297561 /nfs/dbraw/zinc/29/75/61/598297561.db2.gz CATXNWGESHBTEW-IEZBTEQYSA-N -1 3 395.438 3.859 20 0 GHADHM c1ccc2c(c1)CN(c1nc3c(cc1-c1nnn[n-]1)CCC3)Cc1ccccc1-2 ZINC000738439612 598299432 /nfs/dbraw/zinc/29/94/32/598299432.db2.gz ATEWQDUPZCKWNE-UHFFFAOYSA-N -1 3 380.455 3.938 20 0 GHADHM c1ccc2c(c1)CN(c1nc3c(cc1-c1nn[n-]n1)CCC3)Cc1ccccc1-2 ZINC000738439612 598299434 /nfs/dbraw/zinc/29/94/34/598299434.db2.gz ATEWQDUPZCKWNE-UHFFFAOYSA-N -1 3 380.455 3.938 20 0 GHADHM COc1ccc(-c2cc(CSCc3cccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000737055514 598313633 /nfs/dbraw/zinc/31/36/33/598313633.db2.gz OLZKNKOJEHFMPG-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1ccc(-c2cc(CSCc3cccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000737055514 598313635 /nfs/dbraw/zinc/31/36/35/598313635.db2.gz OLZKNKOJEHFMPG-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC000738406121 598318119 /nfs/dbraw/zinc/31/81/19/598318119.db2.gz BAKCRWGOCOIZNN-MRXNPFEDSA-N -1 3 384.896 3.884 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC000738406121 598318121 /nfs/dbraw/zinc/31/81/21/598318121.db2.gz BAKCRWGOCOIZNN-MRXNPFEDSA-N -1 3 384.896 3.884 20 0 GHADHM CCN(CCc1ccccc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736543131 598320246 /nfs/dbraw/zinc/32/02/46/598320246.db2.gz ZACAONYBWXXUKU-UHFFFAOYSA-N -1 3 386.912 3.782 20 0 GHADHM CCN(CCc1ccccc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736543131 598320248 /nfs/dbraw/zinc/32/02/48/598320248.db2.gz ZACAONYBWXXUKU-UHFFFAOYSA-N -1 3 386.912 3.782 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735588150 598325215 /nfs/dbraw/zinc/32/52/15/598325215.db2.gz AZHVSNLOQAOHCP-KRWDZBQOSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735588150 598325217 /nfs/dbraw/zinc/32/52/17/598325217.db2.gz AZHVSNLOQAOHCP-KRWDZBQOSA-N -1 3 382.443 3.592 20 0 GHADHM O=C(Oc1ccccc1Cl)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738247541 598326295 /nfs/dbraw/zinc/32/62/95/598326295.db2.gz RHPLEAGMVCIKKM-UHFFFAOYSA-N -1 3 396.790 3.911 20 0 GHADHM O=C(Oc1ccccc1Cl)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738247541 598326297 /nfs/dbraw/zinc/32/62/97/598326297.db2.gz RHPLEAGMVCIKKM-UHFFFAOYSA-N -1 3 396.790 3.911 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736199441 598327536 /nfs/dbraw/zinc/32/75/36/598327536.db2.gz OZNFTNLVALCLID-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736199441 598327538 /nfs/dbraw/zinc/32/75/38/598327538.db2.gz OZNFTNLVALCLID-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM O=C(Nc1cccc(F)c1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738182583 598327922 /nfs/dbraw/zinc/32/79/22/598327922.db2.gz GGBVPFWXXSBEQL-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1cccc(F)c1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738182583 598327923 /nfs/dbraw/zinc/32/79/23/598327923.db2.gz GGBVPFWXXSBEQL-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737148683 598360872 /nfs/dbraw/zinc/36/08/72/598360872.db2.gz UFSIEEYGBMOKHT-FNDLEWIFSA-N -1 3 389.459 3.642 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737148683 598360874 /nfs/dbraw/zinc/36/08/74/598360874.db2.gz UFSIEEYGBMOKHT-FNDLEWIFSA-N -1 3 389.459 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736118241 598369709 /nfs/dbraw/zinc/36/97/09/598369709.db2.gz LVONGGBEZGGXRA-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736118241 598369711 /nfs/dbraw/zinc/36/97/11/598369711.db2.gz LVONGGBEZGGXRA-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM Cc1c(Br)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737202130 598380118 /nfs/dbraw/zinc/38/01/18/598380118.db2.gz KOWSLYXSLMBFAO-MDZDMXLPSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1c(Br)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737202130 598380119 /nfs/dbraw/zinc/38/01/19/598380119.db2.gz KOWSLYXSLMBFAO-MDZDMXLPSA-N -1 3 384.237 3.590 20 0 GHADHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738157906 598382206 /nfs/dbraw/zinc/38/22/06/598382206.db2.gz COOZZGWCYULAJR-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738157906 598382207 /nfs/dbraw/zinc/38/22/07/598382207.db2.gz COOZZGWCYULAJR-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccccc2)cc1F ZINC000737896728 598383562 /nfs/dbraw/zinc/38/35/62/598383562.db2.gz XRTSRYVJTDRILL-UHFFFAOYSA-N -1 3 388.406 3.723 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000735503041 598393737 /nfs/dbraw/zinc/39/37/37/598393737.db2.gz GFRXELFSGZLSRV-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000735503041 598393739 /nfs/dbraw/zinc/39/37/39/598393739.db2.gz GFRXELFSGZLSRV-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM Cc1sc(NC(=O)Cc2ccc(OCC(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000737565666 598394265 /nfs/dbraw/zinc/39/42/65/598394265.db2.gz VSIOYBGZWDPIET-UHFFFAOYSA-N -1 3 385.493 3.761 20 0 GHADHM Cc1sc(NC(=O)Cc2ccc(OCC(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000737565666 598394267 /nfs/dbraw/zinc/39/42/67/598394267.db2.gz VSIOYBGZWDPIET-UHFFFAOYSA-N -1 3 385.493 3.761 20 0 GHADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000737128334 598394595 /nfs/dbraw/zinc/39/45/95/598394595.db2.gz CRYHPQKUSNKHLL-HUUCEWRRSA-N -1 3 395.488 3.558 20 0 GHADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000737128334 598394597 /nfs/dbraw/zinc/39/45/97/598394597.db2.gz CRYHPQKUSNKHLL-HUUCEWRRSA-N -1 3 395.488 3.558 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000736119436 598428662 /nfs/dbraw/zinc/42/86/62/598428662.db2.gz YRVGLHLNKOSKBW-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000736119436 598428664 /nfs/dbraw/zinc/42/86/64/598428664.db2.gz YRVGLHLNKOSKBW-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000736364100 598429759 /nfs/dbraw/zinc/42/97/59/598429759.db2.gz RDUGRUBMEBAAJX-IBGZPJMESA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000736364100 598429761 /nfs/dbraw/zinc/42/97/61/598429761.db2.gz RDUGRUBMEBAAJX-IBGZPJMESA-N -1 3 378.480 3.938 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737375073 598430150 /nfs/dbraw/zinc/43/01/50/598430150.db2.gz BZTJTNBEDSKVLQ-HXUWFJFHSA-N -1 3 390.491 3.783 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737375073 598430151 /nfs/dbraw/zinc/43/01/51/598430151.db2.gz BZTJTNBEDSKVLQ-HXUWFJFHSA-N -1 3 390.491 3.783 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000737061963 598431496 /nfs/dbraw/zinc/43/14/96/598431496.db2.gz HIRAGBGADLQPFP-LLVKDONJSA-N -1 3 394.460 3.973 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000737061963 598431498 /nfs/dbraw/zinc/43/14/98/598431498.db2.gz HIRAGBGADLQPFP-LLVKDONJSA-N -1 3 394.460 3.973 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737086671 598442852 /nfs/dbraw/zinc/44/28/52/598442852.db2.gz ATHJERJTHBRHNK-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737086671 598442854 /nfs/dbraw/zinc/44/28/54/598442854.db2.gz ATHJERJTHBRHNK-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736819634 598443119 /nfs/dbraw/zinc/44/31/19/598443119.db2.gz GGZJVCYQDWRIIA-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736819634 598443121 /nfs/dbraw/zinc/44/31/21/598443121.db2.gz GGZJVCYQDWRIIA-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737417651 598443211 /nfs/dbraw/zinc/44/32/11/598443211.db2.gz JRRKNIKRRXIUHH-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737417651 598443213 /nfs/dbraw/zinc/44/32/13/598443213.db2.gz JRRKNIKRRXIUHH-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737059544 598449975 /nfs/dbraw/zinc/44/99/75/598449975.db2.gz WMZWPNFJHWAJFT-QZTJIDSGSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737059544 598449976 /nfs/dbraw/zinc/44/99/76/598449976.db2.gz WMZWPNFJHWAJFT-QZTJIDSGSA-N -1 3 385.427 3.771 20 0 GHADHM O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737994503 598451978 /nfs/dbraw/zinc/45/19/78/598451978.db2.gz BTTWDNHTDPXKRI-LJQANCHMSA-N -1 3 376.464 3.703 20 0 GHADHM O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737994503 598451980 /nfs/dbraw/zinc/45/19/80/598451980.db2.gz BTTWDNHTDPXKRI-LJQANCHMSA-N -1 3 376.464 3.703 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cs1 ZINC000737470734 598456195 /nfs/dbraw/zinc/45/61/95/598456195.db2.gz LLDXLSARBQUHTQ-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cs1 ZINC000737470734 598456196 /nfs/dbraw/zinc/45/61/96/598456196.db2.gz LLDXLSARBQUHTQ-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735651223 598460181 /nfs/dbraw/zinc/46/01/81/598460181.db2.gz QYQCUWXDHMXHII-SFHVURJKSA-N -1 3 376.464 3.537 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735651223 598460183 /nfs/dbraw/zinc/46/01/83/598460183.db2.gz QYQCUWXDHMXHII-SFHVURJKSA-N -1 3 376.464 3.537 20 0 GHADHM O=C(CN(Cc1ccsc1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000737866031 598461135 /nfs/dbraw/zinc/46/11/35/598461135.db2.gz VFYUOFPDEQWYAM-UHFFFAOYSA-N -1 3 396.501 3.635 20 0 GHADHM O=C(CN(Cc1ccsc1)c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000737866031 598461136 /nfs/dbraw/zinc/46/11/36/598461136.db2.gz VFYUOFPDEQWYAM-UHFFFAOYSA-N -1 3 396.501 3.635 20 0 GHADHM C[C@@H](CN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000735995697 598467854 /nfs/dbraw/zinc/46/78/54/598467854.db2.gz MWMJMFCGLQFHNR-AWEZNQCLSA-N -1 3 381.484 3.691 20 0 GHADHM C[C@@H](CN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000735995697 598467856 /nfs/dbraw/zinc/46/78/56/598467856.db2.gz MWMJMFCGLQFHNR-AWEZNQCLSA-N -1 3 381.484 3.691 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000736646071 598476286 /nfs/dbraw/zinc/47/62/86/598476286.db2.gz DDJBDPPOFJVTBT-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000736646071 598476287 /nfs/dbraw/zinc/47/62/87/598476287.db2.gz DDJBDPPOFJVTBT-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000736636496 598476417 /nfs/dbraw/zinc/47/64/17/598476417.db2.gz KQHLHSDLHLVONY-CQSZACIVSA-N -1 3 380.452 3.533 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000736636496 598476419 /nfs/dbraw/zinc/47/64/19/598476419.db2.gz KQHLHSDLHLVONY-CQSZACIVSA-N -1 3 380.452 3.533 20 0 GHADHM CCn1cc(CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736723507 598483407 /nfs/dbraw/zinc/48/34/07/598483407.db2.gz XEKQBWYXRQUTCS-CQSZACIVSA-N -1 3 375.432 3.688 20 0 GHADHM CCn1cc(CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736723507 598483408 /nfs/dbraw/zinc/48/34/08/598483408.db2.gz XEKQBWYXRQUTCS-CQSZACIVSA-N -1 3 375.432 3.688 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735499242 598483777 /nfs/dbraw/zinc/48/37/77/598483777.db2.gz MXVJBAXFCLYSET-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735499242 598483778 /nfs/dbraw/zinc/48/37/78/598483778.db2.gz MXVJBAXFCLYSET-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546680 598487223 /nfs/dbraw/zinc/48/72/23/598487223.db2.gz FUNFXUCKJUCERF-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546680 598487225 /nfs/dbraw/zinc/48/72/25/598487225.db2.gz FUNFXUCKJUCERF-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM CCc1c(C)sc(NC(=O)C2(c3cccc(F)c3)CCC2)c1-c1nnn[n-]1 ZINC000736671265 598516908 /nfs/dbraw/zinc/51/69/08/598516908.db2.gz VQEZIQBCFPPOPD-UHFFFAOYSA-N -1 3 385.468 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)C2(c3cccc(F)c3)CCC2)c1-c1nn[n-]n1 ZINC000736671265 598516909 /nfs/dbraw/zinc/51/69/09/598516909.db2.gz VQEZIQBCFPPOPD-UHFFFAOYSA-N -1 3 385.468 3.999 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2noc3c2CCCC3)n1 ZINC000737244669 598532241 /nfs/dbraw/zinc/53/22/41/598532241.db2.gz JPDZVMPMTOSTEH-UHFFFAOYSA-N -1 3 396.398 3.748 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737149717 598535000 /nfs/dbraw/zinc/53/50/00/598535000.db2.gz ZKEPNUQUNQJWKC-QGZVFWFLSA-N -1 3 378.436 3.553 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737149717 598535001 /nfs/dbraw/zinc/53/50/01/598535001.db2.gz ZKEPNUQUNQJWKC-QGZVFWFLSA-N -1 3 378.436 3.553 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736253000 598538499 /nfs/dbraw/zinc/53/84/99/598538499.db2.gz SKBKLTJDUUQQBI-ZBFHGGJFSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@H]1C ZINC000736251348 598538550 /nfs/dbraw/zinc/53/85/50/598538550.db2.gz ILNSBEZADXBKLX-QWQRMKEZSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000737324045 598539579 /nfs/dbraw/zinc/53/95/79/598539579.db2.gz ZDBBDTGIVQIVMR-UHFFFAOYSA-N -1 3 381.505 3.995 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000737324045 598539581 /nfs/dbraw/zinc/53/95/81/598539581.db2.gz ZDBBDTGIVQIVMR-UHFFFAOYSA-N -1 3 381.505 3.995 20 0 GHADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236537 598541593 /nfs/dbraw/zinc/54/15/93/598541593.db2.gz RYRSDYUETKLOME-NHYWBVRUSA-N -1 3 383.839 3.694 20 0 GHADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236537 598541594 /nfs/dbraw/zinc/54/15/94/598541594.db2.gz RYRSDYUETKLOME-NHYWBVRUSA-N -1 3 383.839 3.694 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1C(F)(F)F ZINC000737804022 598544147 /nfs/dbraw/zinc/54/41/47/598544147.db2.gz XWGUFEONVAEPDF-YVMONPNESA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1C(F)(F)F ZINC000737804022 598544148 /nfs/dbraw/zinc/54/41/48/598544148.db2.gz XWGUFEONVAEPDF-YVMONPNESA-N -1 3 377.301 3.677 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000738146054 598547551 /nfs/dbraw/zinc/54/75/51/598547551.db2.gz OPLHYPGCNKVMAL-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000738146054 598547552 /nfs/dbraw/zinc/54/75/52/598547552.db2.gz OPLHYPGCNKVMAL-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM Cc1ccc(OCc2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)cs2)cc1 ZINC000737366804 598549374 /nfs/dbraw/zinc/54/93/74/598549374.db2.gz WJHFQNRJKIDINE-UHFFFAOYSA-N -1 3 397.435 3.929 20 0 GHADHM Cc1ccc(OCc2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)cs2)cc1 ZINC000737366804 598549375 /nfs/dbraw/zinc/54/93/75/598549375.db2.gz WJHFQNRJKIDINE-UHFFFAOYSA-N -1 3 397.435 3.929 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccccc1F ZINC000735569147 598550827 /nfs/dbraw/zinc/55/08/27/598550827.db2.gz FPORVEHMYFFNQC-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccccc1F ZINC000735569147 598550829 /nfs/dbraw/zinc/55/08/29/598550829.db2.gz FPORVEHMYFFNQC-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737504136 598552359 /nfs/dbraw/zinc/55/23/59/598552359.db2.gz PWMOOCAVAPXKKO-UHFFFAOYSA-N -1 3 384.802 3.732 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737504136 598552361 /nfs/dbraw/zinc/55/23/61/598552361.db2.gz PWMOOCAVAPXKKO-UHFFFAOYSA-N -1 3 384.802 3.732 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735839591 598554620 /nfs/dbraw/zinc/55/46/20/598554620.db2.gz ZIAACGQOAURPSR-CQSZACIVSA-N -1 3 381.436 3.659 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735839591 598554624 /nfs/dbraw/zinc/55/46/24/598554624.db2.gz ZIAACGQOAURPSR-CQSZACIVSA-N -1 3 381.436 3.659 20 0 GHADHM CN(C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000736732773 598575968 /nfs/dbraw/zinc/57/59/68/598575968.db2.gz PWRXLOGEOGZMBX-OAQYLSRUSA-N -1 3 398.470 3.652 20 0 GHADHM CCCOc1ncccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736493157 598577711 /nfs/dbraw/zinc/57/77/11/598577711.db2.gz SDWRRMTXIXWONG-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM CCCOc1ncccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736493157 598577712 /nfs/dbraw/zinc/57/77/12/598577712.db2.gz SDWRRMTXIXWONG-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735849676 598598375 /nfs/dbraw/zinc/59/83/75/598598375.db2.gz JWIMCLBNOQBAQZ-UHFFFAOYSA-N -1 3 395.438 3.806 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735849676 598598376 /nfs/dbraw/zinc/59/83/76/598598376.db2.gz JWIMCLBNOQBAQZ-UHFFFAOYSA-N -1 3 395.438 3.806 20 0 GHADHM c1cc(-c2noc(-c3ccc(COc4ccc(-c5nn[n-]n5)cc4)o3)n2)cs1 ZINC000738413554 598609045 /nfs/dbraw/zinc/60/90/45/598609045.db2.gz VVARLYCXRONVQO-UHFFFAOYSA-N -1 3 392.400 3.817 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CC(c2ccccc2)C1 ZINC000735904718 598622858 /nfs/dbraw/zinc/62/28/58/598622858.db2.gz AGVOMUATLSJHCK-UHFFFAOYSA-N -1 3 392.463 3.722 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1CC(c2ccccc2)C1 ZINC000735904718 598622860 /nfs/dbraw/zinc/62/28/60/598622860.db2.gz AGVOMUATLSJHCK-UHFFFAOYSA-N -1 3 392.463 3.722 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737115399 598627883 /nfs/dbraw/zinc/62/78/83/598627883.db2.gz PMIIAKQSECWJJL-GOSISDBHSA-N -1 3 396.426 3.556 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737115399 598627884 /nfs/dbraw/zinc/62/78/84/598627884.db2.gz PMIIAKQSECWJJL-GOSISDBHSA-N -1 3 396.426 3.556 20 0 GHADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736204472 598631687 /nfs/dbraw/zinc/63/16/87/598631687.db2.gz SFLWGOXJXOXOAI-SNVBAGLBSA-N -1 3 397.439 3.840 20 0 GHADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736204472 598631688 /nfs/dbraw/zinc/63/16/88/598631688.db2.gz SFLWGOXJXOXOAI-SNVBAGLBSA-N -1 3 397.439 3.840 20 0 GHADHM CC(C)CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735811240 598633705 /nfs/dbraw/zinc/63/37/05/598633705.db2.gz FQSFDKSJPABHQC-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CC(C)CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735811240 598633707 /nfs/dbraw/zinc/63/37/07/598633707.db2.gz FQSFDKSJPABHQC-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736827487 598646724 /nfs/dbraw/zinc/64/67/24/598646724.db2.gz DZBJLHHDYNHJKX-UHFFFAOYSA-N -1 3 399.882 3.728 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736827487 598646725 /nfs/dbraw/zinc/64/67/25/598646725.db2.gz DZBJLHHDYNHJKX-UHFFFAOYSA-N -1 3 399.882 3.728 20 0 GHADHM CO[C@@H]1CCC[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736962852 598647091 /nfs/dbraw/zinc/64/70/91/598647091.db2.gz RNMPCFNHPKKIRD-IEBWSBKVSA-N -1 3 394.431 3.773 20 0 GHADHM CO[C@@H]1CCC[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736962852 598647093 /nfs/dbraw/zinc/64/70/93/598647093.db2.gz RNMPCFNHPKKIRD-IEBWSBKVSA-N -1 3 394.431 3.773 20 0 GHADHM O=C(NCc1ccc(F)cc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738103590 598647670 /nfs/dbraw/zinc/64/76/70/598647670.db2.gz LYWPZWBNBWQWGM-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccc(F)cc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738103590 598647671 /nfs/dbraw/zinc/64/76/71/598647671.db2.gz LYWPZWBNBWQWGM-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(Oc1c(F)cccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738252284 598649004 /nfs/dbraw/zinc/64/90/04/598649004.db2.gz YLSZILPSXXKNBE-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM O=C(Oc1c(F)cccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738252284 598649005 /nfs/dbraw/zinc/64/90/05/598649005.db2.gz YLSZILPSXXKNBE-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736816221 598649292 /nfs/dbraw/zinc/64/92/92/598649292.db2.gz AOOUSCUSKFAHNQ-UHFFFAOYSA-N -1 3 395.532 3.915 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736816221 598649294 /nfs/dbraw/zinc/64/92/94/598649294.db2.gz AOOUSCUSKFAHNQ-UHFFFAOYSA-N -1 3 395.532 3.915 20 0 GHADHM O=C(NCc1ccccc1F)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738123559 598649710 /nfs/dbraw/zinc/64/97/10/598649710.db2.gz GOBNVYQRGJIPEL-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccccc1F)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738123559 598649712 /nfs/dbraw/zinc/64/97/12/598649712.db2.gz GOBNVYQRGJIPEL-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735831853 598651533 /nfs/dbraw/zinc/65/15/33/598651533.db2.gz WMBHQEMXMCUVTH-UHFFFAOYSA-N -1 3 399.495 3.783 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735831853 598651535 /nfs/dbraw/zinc/65/15/35/598651535.db2.gz WMBHQEMXMCUVTH-UHFFFAOYSA-N -1 3 399.495 3.783 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736461008 598651663 /nfs/dbraw/zinc/65/16/63/598651663.db2.gz KQQRHCWDGIHLPU-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736461008 598651665 /nfs/dbraw/zinc/65/16/65/598651665.db2.gz KQQRHCWDGIHLPU-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737319910 598651978 /nfs/dbraw/zinc/65/19/78/598651978.db2.gz HFKGROADMYJAHI-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737319910 598651980 /nfs/dbraw/zinc/65/19/80/598651980.db2.gz HFKGROADMYJAHI-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096584 598652218 /nfs/dbraw/zinc/65/22/18/598652218.db2.gz ACSOSAIJFYQEIR-MLGOLLRUSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096584 598652220 /nfs/dbraw/zinc/65/22/20/598652220.db2.gz ACSOSAIJFYQEIR-MLGOLLRUSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736249155 598652246 /nfs/dbraw/zinc/65/22/46/598652246.db2.gz FFKQSWGXRAHLMA-WMLDXEAASA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249155 598652248 /nfs/dbraw/zinc/65/22/48/598652248.db2.gz FFKQSWGXRAHLMA-WMLDXEAASA-N -1 3 377.448 3.968 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736398228 598652328 /nfs/dbraw/zinc/65/23/28/598652328.db2.gz ZUDKCUVRCHRKCA-SFHVURJKSA-N -1 3 381.505 3.959 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736398228 598652329 /nfs/dbraw/zinc/65/23/29/598652329.db2.gz ZUDKCUVRCHRKCA-SFHVURJKSA-N -1 3 381.505 3.959 20 0 GHADHM COc1ccc(N(CC(C)C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737098941 598652403 /nfs/dbraw/zinc/65/24/03/598652403.db2.gz IDWRMOXYVCCWFT-UHFFFAOYSA-N -1 3 397.504 3.657 20 0 GHADHM COc1ccc(N(CC(C)C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737098941 598652404 /nfs/dbraw/zinc/65/24/04/598652404.db2.gz IDWRMOXYVCCWFT-UHFFFAOYSA-N -1 3 397.504 3.657 20 0 GHADHM O=C(c1cc(F)c(F)c(F)c1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000738248151 598652751 /nfs/dbraw/zinc/65/27/51/598652751.db2.gz XAPQWDVADCHEBB-UHFFFAOYSA-N -1 3 399.332 3.724 20 0 GHADHM O=C(c1cc(F)c(F)c(F)c1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000738248151 598652752 /nfs/dbraw/zinc/65/27/52/598652752.db2.gz XAPQWDVADCHEBB-UHFFFAOYSA-N -1 3 399.332 3.724 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735915819 598652954 /nfs/dbraw/zinc/65/29/54/598652954.db2.gz SGUDTSSMXRJARG-UHFFFAOYSA-N -1 3 395.463 3.842 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735915819 598652956 /nfs/dbraw/zinc/65/29/56/598652956.db2.gz SGUDTSSMXRJARG-UHFFFAOYSA-N -1 3 395.463 3.842 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736046262 598652981 /nfs/dbraw/zinc/65/29/81/598652981.db2.gz HMYCPRMHFZSFCY-CYBMUJFWSA-N -1 3 384.509 3.790 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736046262 598652983 /nfs/dbraw/zinc/65/29/83/598652983.db2.gz HMYCPRMHFZSFCY-CYBMUJFWSA-N -1 3 384.509 3.790 20 0 GHADHM CC(C)c1cc(=O)oc2cc(OCc3ccc(F)cc3-c3nnn[n-]3)ccc21 ZINC000735921649 598673910 /nfs/dbraw/zinc/67/39/10/598673910.db2.gz YBJRNYIUCPCJJD-UHFFFAOYSA-N -1 3 380.379 3.815 20 0 GHADHM CC(C)c1cc(=O)oc2cc(OCc3ccc(F)cc3-c3nn[n-]n3)ccc21 ZINC000735921649 598673912 /nfs/dbraw/zinc/67/39/12/598673912.db2.gz YBJRNYIUCPCJJD-UHFFFAOYSA-N -1 3 380.379 3.815 20 0 GHADHM C[C@@H](CNC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736189708 598696348 /nfs/dbraw/zinc/69/63/48/598696348.db2.gz QPHPGRSFJDJZLO-UONOGXRCSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@@H](CNC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736189708 598696349 /nfs/dbraw/zinc/69/63/49/598696349.db2.gz QPHPGRSFJDJZLO-UONOGXRCSA-N -1 3 399.495 3.547 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737423341 598696469 /nfs/dbraw/zinc/69/64/69/598696469.db2.gz QSVPDPFABVAOQM-KBPBESRZSA-N -1 3 399.495 3.813 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737423341 598696470 /nfs/dbraw/zinc/69/64/70/598696470.db2.gz QSVPDPFABVAOQM-KBPBESRZSA-N -1 3 399.495 3.813 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737198619 598696636 /nfs/dbraw/zinc/69/66/36/598696636.db2.gz JLIGLEJKLFCUNH-UHFFFAOYSA-N -1 3 381.436 3.912 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737198619 598696638 /nfs/dbraw/zinc/69/66/38/598696638.db2.gz JLIGLEJKLFCUNH-UHFFFAOYSA-N -1 3 381.436 3.912 20 0 GHADHM CSc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737192251 598698133 /nfs/dbraw/zinc/69/81/33/598698133.db2.gz SFTQYZGYCLRTDB-UHFFFAOYSA-N -1 3 389.481 3.600 20 0 GHADHM CSc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737192251 598698134 /nfs/dbraw/zinc/69/81/34/598698134.db2.gz SFTQYZGYCLRTDB-UHFFFAOYSA-N -1 3 389.481 3.600 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737944257 598723348 /nfs/dbraw/zinc/72/33/48/598723348.db2.gz ZKEKPITZZJDOCE-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cccc(Cl)c21 ZINC000737944257 598723350 /nfs/dbraw/zinc/72/33/50/598723350.db2.gz ZKEKPITZZJDOCE-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM Cc1ccccc1[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000737420703 598772260 /nfs/dbraw/zinc/77/22/60/598772260.db2.gz GVYNXBQVHULEEG-ZDUSSCGKSA-N -1 3 392.413 3.995 20 0 GHADHM Cc1ccccc1[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000737420703 598772262 /nfs/dbraw/zinc/77/22/62/598772262.db2.gz GVYNXBQVHULEEG-ZDUSSCGKSA-N -1 3 392.413 3.995 20 0 GHADHM CN(CCc1ccccc1F)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736806072 598772935 /nfs/dbraw/zinc/77/29/35/598772935.db2.gz MEJSVZZIZCYLIG-UHFFFAOYSA-N -1 3 384.365 3.511 20 0 GHADHM CN(CCc1ccccc1F)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736806072 598772937 /nfs/dbraw/zinc/77/29/37/598772937.db2.gz MEJSVZZIZCYLIG-UHFFFAOYSA-N -1 3 384.365 3.511 20 0 GHADHM FC(F)(F)CNC(=S)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737626014 598789494 /nfs/dbraw/zinc/78/94/94/598789494.db2.gz FDUAERGLIAZLFG-UHFFFAOYSA-N -1 3 394.382 3.508 20 0 GHADHM FC(F)(F)CNC(=S)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737626014 598789496 /nfs/dbraw/zinc/78/94/96/598789496.db2.gz FDUAERGLIAZLFG-UHFFFAOYSA-N -1 3 394.382 3.508 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)cc1 ZINC000737570195 598794787 /nfs/dbraw/zinc/79/47/87/598794787.db2.gz CTOMYLABGWMQAX-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)cc1 ZINC000737570195 598794788 /nfs/dbraw/zinc/79/47/88/598794788.db2.gz CTOMYLABGWMQAX-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM O=C(OCc1cc(Br)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738235940 598800501 /nfs/dbraw/zinc/80/05/01/598800501.db2.gz CJODIFHUQDMGPV-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(OCc1cc(Br)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738235940 598800502 /nfs/dbraw/zinc/80/05/02/598800502.db2.gz CJODIFHUQDMGPV-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735734274 598801193 /nfs/dbraw/zinc/80/11/93/598801193.db2.gz GJMHTYRXRBJWON-SFHVURJKSA-N -1 3 382.443 3.545 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735734274 598801195 /nfs/dbraw/zinc/80/11/95/598801195.db2.gz GJMHTYRXRBJWON-SFHVURJKSA-N -1 3 382.443 3.545 20 0 GHADHM Cc1sc2nc(C)nc(SCC(=O)c3ccc(-c4nnn[n-]4)cc3)c2c1C ZINC000737482648 598821928 /nfs/dbraw/zinc/82/19/28/598821928.db2.gz KFXCPAXSDQRMMN-UHFFFAOYSA-N -1 3 396.501 3.772 20 0 GHADHM Cc1sc2nc(C)nc(SCC(=O)c3ccc(-c4nn[n-]n4)cc3)c2c1C ZINC000737482648 598821930 /nfs/dbraw/zinc/82/19/30/598821930.db2.gz KFXCPAXSDQRMMN-UHFFFAOYSA-N -1 3 396.501 3.772 20 0 GHADHM CCOc1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736627611 598822055 /nfs/dbraw/zinc/82/20/55/598822055.db2.gz NRSLLFIFLCQKKS-HNNXBMFYSA-N -1 3 379.464 3.797 20 0 GHADHM CCOc1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736627611 598822056 /nfs/dbraw/zinc/82/20/56/598822056.db2.gz NRSLLFIFLCQKKS-HNNXBMFYSA-N -1 3 379.464 3.797 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736301058 599302929 /nfs/dbraw/zinc/30/29/29/599302929.db2.gz KFHJCEGXODWMQX-JCFHGJPSSA-N -1 3 391.500 3.585 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000736301058 599302934 /nfs/dbraw/zinc/30/29/34/599302934.db2.gz KFHJCEGXODWMQX-JCFHGJPSSA-N -1 3 391.500 3.585 20 0 GHADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197612 599313836 /nfs/dbraw/zinc/31/38/36/599313836.db2.gz BBWXTVYRCJONDI-XIKOKIGWSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197612 599313838 /nfs/dbraw/zinc/31/38/38/599313838.db2.gz BBWXTVYRCJONDI-XIKOKIGWSA-N -1 3 387.846 3.794 20 0 GHADHM CC(=O)c1cccc(NC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735499215 599324924 /nfs/dbraw/zinc/32/49/24/599324924.db2.gz MKYUYZKERNWRGV-CYBMUJFWSA-N -1 3 381.461 3.502 20 0 GHADHM CC(=O)c1cccc(NC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735499215 599324925 /nfs/dbraw/zinc/32/49/25/599324925.db2.gz MKYUYZKERNWRGV-CYBMUJFWSA-N -1 3 381.461 3.502 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735797259 599329134 /nfs/dbraw/zinc/32/91/34/599329134.db2.gz NEPKVSIVDOQSAM-GJZGRUSLSA-N -1 3 375.542 3.992 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735797259 599329137 /nfs/dbraw/zinc/32/91/37/599329137.db2.gz NEPKVSIVDOQSAM-GJZGRUSLSA-N -1 3 375.542 3.992 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735797258 599329801 /nfs/dbraw/zinc/32/98/01/599329801.db2.gz NEPKVSIVDOQSAM-CABCVRRESA-N -1 3 375.542 3.992 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735797258 599329804 /nfs/dbraw/zinc/32/98/04/599329804.db2.gz NEPKVSIVDOQSAM-CABCVRRESA-N -1 3 375.542 3.992 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188603 599330385 /nfs/dbraw/zinc/33/03/85/599330385.db2.gz LPCRYBAAOGFJJS-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188603 599330388 /nfs/dbraw/zinc/33/03/88/599330388.db2.gz LPCRYBAAOGFJJS-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)n1cccc1 ZINC000735978129 599371420 /nfs/dbraw/zinc/37/14/20/599371420.db2.gz UFTCUDDLJKSFJS-ZDUSSCGKSA-N -1 3 378.461 3.987 20 0 GHADHM C[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)n1cccc1 ZINC000735978129 599371423 /nfs/dbraw/zinc/37/14/23/599371423.db2.gz UFTCUDDLJKSFJS-ZDUSSCGKSA-N -1 3 378.461 3.987 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cccc(Cl)c2C)c1-c1nnn[n-]1 ZINC000736676924 599373899 /nfs/dbraw/zinc/37/38/99/599373899.db2.gz WEXRDFQJWYOCQG-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cccc(Cl)c2C)c1-c1nn[n-]n1 ZINC000736676924 599373901 /nfs/dbraw/zinc/37/39/01/599373901.db2.gz WEXRDFQJWYOCQG-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456894 599376142 /nfs/dbraw/zinc/37/61/42/599376142.db2.gz WYQLSOIJQSGOEV-SNVBAGLBSA-N -1 3 396.348 3.714 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456894 599376145 /nfs/dbraw/zinc/37/61/45/599376145.db2.gz WYQLSOIJQSGOEV-SNVBAGLBSA-N -1 3 396.348 3.714 20 0 GHADHM CSc1ccc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821983262 599385007 /nfs/dbraw/zinc/38/50/07/599385007.db2.gz FMLOPUTUGMTSRE-UHFFFAOYSA-N -1 3 378.461 3.531 20 0 GHADHM CSc1ccc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821983262 599385009 /nfs/dbraw/zinc/38/50/09/599385009.db2.gz FMLOPUTUGMTSRE-UHFFFAOYSA-N -1 3 378.461 3.531 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc3c(cnn3C(C)C)c2)cc1-c1nnn[n-]1 ZINC000820174212 607372089 /nfs/dbraw/zinc/37/20/89/607372089.db2.gz PGIUDAHFZHXYCW-UHFFFAOYSA-N -1 3 392.467 3.592 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc3c(cnn3C(C)C)c2)cc1-c1nn[n-]n1 ZINC000820174212 607372091 /nfs/dbraw/zinc/37/20/91/607372091.db2.gz PGIUDAHFZHXYCW-UHFFFAOYSA-N -1 3 392.467 3.592 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738199794 599388598 /nfs/dbraw/zinc/38/85/98/599388598.db2.gz WKCGWMWHEDUYMJ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738199794 599388601 /nfs/dbraw/zinc/38/86/01/599388601.db2.gz WKCGWMWHEDUYMJ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415104 607372417 /nfs/dbraw/zinc/37/24/17/607372417.db2.gz RMTRUJZXANCRKT-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415104 607372419 /nfs/dbraw/zinc/37/24/19/607372419.db2.gz RMTRUJZXANCRKT-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000735628116 599423858 /nfs/dbraw/zinc/42/38/58/599423858.db2.gz QSJXSVHHQQTJOE-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000735628116 599423859 /nfs/dbraw/zinc/42/38/59/599423859.db2.gz QSJXSVHHQQTJOE-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM FC(F)COc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737638577 599424862 /nfs/dbraw/zinc/42/48/62/599424862.db2.gz FKGYZXPYBJNEFC-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM FC(F)COc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737638577 599424864 /nfs/dbraw/zinc/42/48/64/599424864.db2.gz FKGYZXPYBJNEFC-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(-c4nnn[n-]4)o3)s2)cc1 ZINC000821732175 599439393 /nfs/dbraw/zinc/43/93/93/599439393.db2.gz KYUGLNSYMTUBFL-LLVKDONJSA-N -1 3 396.476 3.751 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cc(Cl)ccc1OC(F)F ZINC000822761646 599456841 /nfs/dbraw/zinc/45/68/41/599456841.db2.gz QLMYSOBFJCBQOX-UHFFFAOYSA-N -1 3 383.761 3.550 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340881 599472957 /nfs/dbraw/zinc/47/29/57/599472957.db2.gz NHRMTKLPLORTGA-RYUDHWBXSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340881 599472959 /nfs/dbraw/zinc/47/29/59/599472959.db2.gz NHRMTKLPLORTGA-RYUDHWBXSA-N -1 3 386.406 3.609 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820155283 599500702 /nfs/dbraw/zinc/50/07/02/599500702.db2.gz NCOMHTRNABIREK-LBPRGKRZSA-N -1 3 385.855 3.798 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820155283 599500703 /nfs/dbraw/zinc/50/07/03/599500703.db2.gz NCOMHTRNABIREK-LBPRGKRZSA-N -1 3 385.855 3.798 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C1CC1 ZINC000736746846 599501831 /nfs/dbraw/zinc/50/18/31/599501831.db2.gz CBMVAKJJNRVLGV-UHFFFAOYSA-N -1 3 384.827 3.939 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C1CC1 ZINC000736746846 599501832 /nfs/dbraw/zinc/50/18/32/599501832.db2.gz CBMVAKJJNRVLGV-UHFFFAOYSA-N -1 3 384.827 3.939 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)sc1C ZINC000822437144 599509286 /nfs/dbraw/zinc/50/92/86/599509286.db2.gz WYEGIPMEZGCXHZ-LLVKDONJSA-N -1 3 376.436 3.602 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)sc1C ZINC000822437144 599509287 /nfs/dbraw/zinc/50/92/87/599509287.db2.gz WYEGIPMEZGCXHZ-LLVKDONJSA-N -1 3 376.436 3.602 20 0 GHADHM Cc1csc([C@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)n1 ZINC000822409752 599509468 /nfs/dbraw/zinc/50/94/68/599509468.db2.gz UUKZAUVKBAXBFB-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)n1 ZINC000822409752 599509471 /nfs/dbraw/zinc/50/94/71/599509471.db2.gz UUKZAUVKBAXBFB-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1cc(Cl)cs1 ZINC000736037110 599515761 /nfs/dbraw/zinc/51/57/61/599515761.db2.gz JKIXEVVHFMRTGW-LLVKDONJSA-N -1 3 392.868 3.525 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1cc(Cl)cs1 ZINC000736037110 599515764 /nfs/dbraw/zinc/51/57/64/599515764.db2.gz JKIXEVVHFMRTGW-LLVKDONJSA-N -1 3 392.868 3.525 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384428 599517021 /nfs/dbraw/zinc/51/70/21/599517021.db2.gz DRLVCDCJIXVTIC-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384428 599517024 /nfs/dbraw/zinc/51/70/24/599517024.db2.gz DRLVCDCJIXVTIC-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000737900248 599521748 /nfs/dbraw/zinc/52/17/48/599521748.db2.gz XVGDKYQXLWYYFP-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCCCNc1ccccn1 ZINC000737626685 599525103 /nfs/dbraw/zinc/52/51/03/599525103.db2.gz JTNCPLBDGVUSBX-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCCO[C@@H](c2ccccc2)C1 ZINC000822332387 599528813 /nfs/dbraw/zinc/52/88/13/599528813.db2.gz PJUUJWQCSNORQM-LJQANCHMSA-N -1 3 386.459 3.691 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCCO[C@@H](c2ccccc2)C1 ZINC000822332387 599528814 /nfs/dbraw/zinc/52/88/14/599528814.db2.gz PJUUJWQCSNORQM-LJQANCHMSA-N -1 3 386.459 3.691 20 0 GHADHM C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820315264 599530445 /nfs/dbraw/zinc/53/04/45/599530445.db2.gz MVFPEOUNAHAMIQ-MRXNPFEDSA-N -1 3 383.455 3.876 20 0 GHADHM C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820315264 599530447 /nfs/dbraw/zinc/53/04/47/599530447.db2.gz MVFPEOUNAHAMIQ-MRXNPFEDSA-N -1 3 383.455 3.876 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402660 599534702 /nfs/dbraw/zinc/53/47/02/599534702.db2.gz DZLMLGXGJRVLCZ-NSHDSACASA-N -1 3 394.435 3.620 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402660 599534703 /nfs/dbraw/zinc/53/47/03/599534703.db2.gz DZLMLGXGJRVLCZ-NSHDSACASA-N -1 3 394.435 3.620 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820335176 599536150 /nfs/dbraw/zinc/53/61/50/599536150.db2.gz VFKDZFDMSKAZCI-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820335176 599536152 /nfs/dbraw/zinc/53/61/52/599536152.db2.gz VFKDZFDMSKAZCI-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321924 599543336 /nfs/dbraw/zinc/54/33/36/599543336.db2.gz OAXGASLSALTIDN-HNNXBMFYSA-N -1 3 399.454 3.860 20 0 GHADHM C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321924 599543337 /nfs/dbraw/zinc/54/33/37/599543337.db2.gz OAXGASLSALTIDN-HNNXBMFYSA-N -1 3 399.454 3.860 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736059496 599544511 /nfs/dbraw/zinc/54/45/11/599544511.db2.gz TWRAHHIBODGHFU-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736059496 599544514 /nfs/dbraw/zinc/54/45/14/599544514.db2.gz TWRAHHIBODGHFU-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820916099 599550897 /nfs/dbraw/zinc/55/08/97/599550897.db2.gz YTDVUPIWHBMNCW-KRWDZBQOSA-N -1 3 395.511 3.908 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820916099 599550900 /nfs/dbraw/zinc/55/09/00/599550900.db2.gz YTDVUPIWHBMNCW-KRWDZBQOSA-N -1 3 395.511 3.908 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000737328884 599560040 /nfs/dbraw/zinc/56/00/40/599560040.db2.gz IIRAVUUUNGGQPU-LVWOJMJRSA-N -1 3 377.448 3.925 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000737328884 599560041 /nfs/dbraw/zinc/56/00/41/599560041.db2.gz IIRAVUUUNGGQPU-LVWOJMJRSA-N -1 3 377.448 3.925 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCc4ccccc4CC3)c2c1 ZINC000822582484 599560861 /nfs/dbraw/zinc/56/08/61/599560861.db2.gz VACAXNVHSWXHIL-UHFFFAOYSA-N -1 3 376.851 3.674 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCc4ccccc4CC3)c2c1 ZINC000822582484 599560862 /nfs/dbraw/zinc/56/08/62/599560862.db2.gz VACAXNVHSWXHIL-UHFFFAOYSA-N -1 3 376.851 3.674 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736223934 599561937 /nfs/dbraw/zinc/56/19/37/599561937.db2.gz KBFAXSLFSRCEHM-HUUCEWRRSA-N -1 3 376.464 3.728 20 0 GHADHM O=C(NC[C@H]1Cc2ccccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738051636 599565482 /nfs/dbraw/zinc/56/54/82/599565482.db2.gz PEYZIRDZYBRCKC-GOSISDBHSA-N -1 3 396.454 3.680 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332954 599575995 /nfs/dbraw/zinc/57/59/95/599575995.db2.gz ZBJGRJOITHQZLD-HRAATJIYSA-N -1 3 390.491 3.587 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC(c1cccs1)c1cccs1 ZINC000738116031 599601804 /nfs/dbraw/zinc/60/18/04/599601804.db2.gz HAPYTAOSZGAZEM-UHFFFAOYSA-N -1 3 396.501 3.579 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC(c1cccs1)c1cccs1 ZINC000738116031 599601806 /nfs/dbraw/zinc/60/18/06/599601806.db2.gz HAPYTAOSZGAZEM-UHFFFAOYSA-N -1 3 396.501 3.579 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737420541 599611920 /nfs/dbraw/zinc/61/19/20/599611920.db2.gz JPJAWCXZANUPKX-ZIAGYGMSSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737420541 599611921 /nfs/dbraw/zinc/61/19/21/599611921.db2.gz JPJAWCXZANUPKX-ZIAGYGMSSA-N -1 3 380.427 3.724 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1nccs1 ZINC000736360499 599613917 /nfs/dbraw/zinc/61/39/17/599613917.db2.gz CXWBNSOEFMOYCW-MRXNPFEDSA-N -1 3 399.524 3.642 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1nccs1 ZINC000736360499 599613918 /nfs/dbraw/zinc/61/39/18/599613918.db2.gz CXWBNSOEFMOYCW-MRXNPFEDSA-N -1 3 399.524 3.642 20 0 GHADHM Cc1sc(NC(=O)[C@H]2CCCO[C@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822232789 599628883 /nfs/dbraw/zinc/62/88/83/599628883.db2.gz AZKWLHCPJCIOQS-RDJZCZTQSA-N -1 3 397.504 3.960 20 0 GHADHM Cc1sc(NC(=O)[C@H]2CCCO[C@H]2c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822232789 599628884 /nfs/dbraw/zinc/62/88/84/599628884.db2.gz AZKWLHCPJCIOQS-RDJZCZTQSA-N -1 3 397.504 3.960 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccc(C)o1 ZINC000821389334 599629644 /nfs/dbraw/zinc/62/96/44/599629644.db2.gz JKGNJBVEDLBVAZ-SNVBAGLBSA-N -1 3 376.800 3.529 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccc(C)o1 ZINC000821389334 599629645 /nfs/dbraw/zinc/62/96/45/599629645.db2.gz JKGNJBVEDLBVAZ-SNVBAGLBSA-N -1 3 376.800 3.529 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822232793 599629952 /nfs/dbraw/zinc/62/99/52/599629952.db2.gz BDMBJHYLJLWRKG-SJLPKXTDSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822232793 599629953 /nfs/dbraw/zinc/62/99/53/599629953.db2.gz BDMBJHYLJLWRKG-SJLPKXTDSA-N -1 3 397.866 3.935 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820690232 599630206 /nfs/dbraw/zinc/63/02/06/599630206.db2.gz HUIQXZDXWXXSNR-GXTWGEPZSA-N -1 3 383.477 3.881 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820690232 599630207 /nfs/dbraw/zinc/63/02/07/599630207.db2.gz HUIQXZDXWXXSNR-GXTWGEPZSA-N -1 3 383.477 3.881 20 0 GHADHM CCO[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821346555 599632829 /nfs/dbraw/zinc/63/28/29/599632829.db2.gz LTKULRXBXVSGLK-HNNXBMFYSA-N -1 3 391.353 3.602 20 0 GHADHM CCO[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821346555 599632830 /nfs/dbraw/zinc/63/28/30/599632830.db2.gz LTKULRXBXVSGLK-HNNXBMFYSA-N -1 3 391.353 3.602 20 0 GHADHM CCCOc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821134084 599632904 /nfs/dbraw/zinc/63/29/04/599632904.db2.gz NIJFMWVXHSUBCE-UHFFFAOYSA-N -1 3 391.353 3.927 20 0 GHADHM CCCOc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821134084 599632905 /nfs/dbraw/zinc/63/29/05/599632905.db2.gz NIJFMWVXHSUBCE-UHFFFAOYSA-N -1 3 391.353 3.927 20 0 GHADHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823082809 599633125 /nfs/dbraw/zinc/63/31/25/599633125.db2.gz RDFYUTJCSIIISM-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823082809 599633126 /nfs/dbraw/zinc/63/31/26/599633126.db2.gz RDFYUTJCSIIISM-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM CC(C)(C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000819965837 599633270 /nfs/dbraw/zinc/63/32/70/599633270.db2.gz OWFBCNHILVQRAE-UHFFFAOYSA-N -1 3 396.398 3.892 20 0 GHADHM CC(C)(C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000819965837 599633271 /nfs/dbraw/zinc/63/32/71/599633271.db2.gz OWFBCNHILVQRAE-UHFFFAOYSA-N -1 3 396.398 3.892 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 ZINC000823303777 599634406 /nfs/dbraw/zinc/63/44/06/599634406.db2.gz UWCNQAHQHKRDSJ-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 ZINC000823303777 599634407 /nfs/dbraw/zinc/63/44/07/599634407.db2.gz UWCNQAHQHKRDSJ-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821717724 599634673 /nfs/dbraw/zinc/63/46/73/599634673.db2.gz WJPHKOUVBXTHTF-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821717724 599634674 /nfs/dbraw/zinc/63/46/74/599634674.db2.gz WJPHKOUVBXTHTF-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000823303943 599635117 /nfs/dbraw/zinc/63/51/17/599635117.db2.gz ZQJKBKVUYXNVCX-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000823303943 599635118 /nfs/dbraw/zinc/63/51/18/599635118.db2.gz ZQJKBKVUYXNVCX-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)CCOc1ccccc1 ZINC000820249737 599649439 /nfs/dbraw/zinc/64/94/39/599649439.db2.gz YZSJVRSSEUDDPM-KRWDZBQOSA-N -1 3 393.491 3.709 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)CCOc1ccccc1 ZINC000820249737 599649440 /nfs/dbraw/zinc/64/94/40/599649440.db2.gz YZSJVRSSEUDDPM-KRWDZBQOSA-N -1 3 393.491 3.709 20 0 GHADHM O=C(OCc1ccon1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823440070 599662675 /nfs/dbraw/zinc/66/26/75/599662675.db2.gz BBALBBITXKXNCR-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM O=C(OCc1ccon1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823440070 599662676 /nfs/dbraw/zinc/66/26/76/599662676.db2.gz BBALBBITXKXNCR-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233065 599668378 /nfs/dbraw/zinc/66/83/78/599668378.db2.gz HLPBZNCAFZNZTG-WOJBJXKFSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233065 599668379 /nfs/dbraw/zinc/66/83/79/599668379.db2.gz HLPBZNCAFZNZTG-WOJBJXKFSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822232824 599669343 /nfs/dbraw/zinc/66/93/43/599669343.db2.gz BRJSHXBAXVTWSA-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822232824 599669344 /nfs/dbraw/zinc/66/93/44/599669344.db2.gz BRJSHXBAXVTWSA-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820339870 599680022 /nfs/dbraw/zinc/68/00/22/599680022.db2.gz HOCUHECOTNECIO-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820339870 599680023 /nfs/dbraw/zinc/68/00/23/599680023.db2.gz HOCUHECOTNECIO-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820717319 599682240 /nfs/dbraw/zinc/68/22/40/599682240.db2.gz PPSNOZSFOZKXCH-CPUCHLNUSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820717319 599682241 /nfs/dbraw/zinc/68/22/41/599682241.db2.gz PPSNOZSFOZKXCH-CPUCHLNUSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820717318 599682252 /nfs/dbraw/zinc/68/22/52/599682252.db2.gz PPSNOZSFOZKXCH-CKEIUWERSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820717318 599682253 /nfs/dbraw/zinc/68/22/53/599682253.db2.gz PPSNOZSFOZKXCH-CKEIUWERSA-N -1 3 380.452 3.704 20 0 GHADHM COc1ccc(C2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000821786145 599685807 /nfs/dbraw/zinc/68/58/07/599685807.db2.gz APGQCMSLFLNOSG-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1ccc(C2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000821786145 599685808 /nfs/dbraw/zinc/68/58/08/599685808.db2.gz APGQCMSLFLNOSG-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM Cc1ccc(-c2nc(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)co2)cc1 ZINC000822214182 599688759 /nfs/dbraw/zinc/68/87/59/599688759.db2.gz SPGKWYKWOHTXFD-UHFFFAOYSA-N -1 3 383.415 3.990 20 0 GHADHM Cc1ccc(-c2nc(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)co2)cc1 ZINC000822214182 599688760 /nfs/dbraw/zinc/68/87/60/599688760.db2.gz SPGKWYKWOHTXFD-UHFFFAOYSA-N -1 3 383.415 3.990 20 0 GHADHM Cc1sc(NC(=O)CCc2c[nH]c3cc(C)ccc23)c(-c2nnn[n-]2)c1C ZINC000822274538 599690103 /nfs/dbraw/zinc/69/01/03/599690103.db2.gz AHRGVXWVBYMPNH-UHFFFAOYSA-N -1 3 380.477 3.906 20 0 GHADHM Cc1sc(NC(=O)CCc2c[nH]c3cc(C)ccc23)c(-c2nn[n-]n2)c1C ZINC000822274538 599690104 /nfs/dbraw/zinc/69/01/04/599690104.db2.gz AHRGVXWVBYMPNH-UHFFFAOYSA-N -1 3 380.477 3.906 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820966687 599692627 /nfs/dbraw/zinc/69/26/27/599692627.db2.gz GROGRCWLSSCZQO-XJKSGUPXSA-N -1 3 393.451 3.706 20 0 GHADHM O=C(CCSc1ccccc1F)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822974603 599695550 /nfs/dbraw/zinc/69/55/50/599695550.db2.gz UDHAEHJSCAZBLE-UHFFFAOYSA-N -1 3 389.481 3.677 20 0 GHADHM O=C(CCSc1ccccc1F)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822974603 599695551 /nfs/dbraw/zinc/69/55/51/599695551.db2.gz UDHAEHJSCAZBLE-UHFFFAOYSA-N -1 3 389.481 3.677 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cn1 ZINC000820192592 607392123 /nfs/dbraw/zinc/39/21/23/607392123.db2.gz VJBNGCCSDXATQT-UHFFFAOYSA-N -1 3 382.493 3.968 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cn1 ZINC000820192592 607392124 /nfs/dbraw/zinc/39/21/24/607392124.db2.gz VJBNGCCSDXATQT-UHFFFAOYSA-N -1 3 382.493 3.968 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000822400213 607394616 /nfs/dbraw/zinc/39/46/16/607394616.db2.gz ZUOIGAMCKBCIQX-FPLPWBNLSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000822400213 607394617 /nfs/dbraw/zinc/39/46/17/607394617.db2.gz ZUOIGAMCKBCIQX-FPLPWBNLSA-N -1 3 388.456 3.951 20 0 GHADHM O=C([C@@H]1CCCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822918077 607395910 /nfs/dbraw/zinc/39/59/10/607395910.db2.gz ZIWQLAMLLFFCHE-SFHVURJKSA-N -1 3 397.866 3.622 20 0 GHADHM O=C([C@@H]1CCCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822918077 607395911 /nfs/dbraw/zinc/39/59/11/607395911.db2.gz ZIWQLAMLLFFCHE-SFHVURJKSA-N -1 3 397.866 3.622 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000820161660 607400401 /nfs/dbraw/zinc/40/04/01/607400401.db2.gz ZJJZAPUBHALKMB-VXGBXAGGSA-N -1 3 397.401 3.961 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000820161660 607400402 /nfs/dbraw/zinc/40/04/02/607400402.db2.gz ZJJZAPUBHALKMB-VXGBXAGGSA-N -1 3 397.401 3.961 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000826250970 607402302 /nfs/dbraw/zinc/40/23/02/607402302.db2.gz BAUHNCCYHAAAPS-LLVKDONJSA-N -1 3 396.838 3.633 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000826250970 607402303 /nfs/dbraw/zinc/40/23/03/607402303.db2.gz BAUHNCCYHAAAPS-LLVKDONJSA-N -1 3 396.838 3.633 20 0 GHADHM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000739628302 599867321 /nfs/dbraw/zinc/86/73/21/599867321.db2.gz ZCNBMHIBGFUJLX-YNGKYYQNSA-N -1 3 399.516 3.586 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)sc2cccc(F)c12 ZINC000826234247 607416145 /nfs/dbraw/zinc/41/61/45/607416145.db2.gz NYFAGPXGWKBAOS-UHFFFAOYSA-N -1 3 393.447 3.948 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)sc2cccc(F)c12 ZINC000826234247 607416147 /nfs/dbraw/zinc/41/61/47/607416147.db2.gz NYFAGPXGWKBAOS-UHFFFAOYSA-N -1 3 393.447 3.948 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000736716714 600077357 /nfs/dbraw/zinc/07/73/57/600077357.db2.gz JNPBGWSKYAPVJY-KGLIPLIRSA-N -1 3 389.427 3.712 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826428334 607418287 /nfs/dbraw/zinc/41/82/87/607418287.db2.gz YTGDEUUGUNSNHW-NHCUHLMSSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826428334 607418288 /nfs/dbraw/zinc/41/82/88/607418288.db2.gz YTGDEUUGUNSNHW-NHCUHLMSSA-N -1 3 395.466 3.929 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000736649773 600092815 /nfs/dbraw/zinc/09/28/15/600092815.db2.gz IZZLLRIRZPRYQB-CYBMUJFWSA-N -1 3 380.460 3.649 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000652405446 600099303 /nfs/dbraw/zinc/09/93/03/600099303.db2.gz RMDNCHAVGKYRBN-UHFFFAOYSA-N -1 3 380.423 3.689 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000820164703 607432620 /nfs/dbraw/zinc/43/26/20/607432620.db2.gz KLZNMBSOXSYKEU-KRWDZBQOSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000820164703 607432622 /nfs/dbraw/zinc/43/26/22/607432622.db2.gz KLZNMBSOXSYKEU-KRWDZBQOSA-N -1 3 396.426 3.602 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC000738562431 600288315 /nfs/dbraw/zinc/28/83/15/600288315.db2.gz VJHBYHRFWBMNLC-QGZVFWFLSA-N -1 3 375.856 3.771 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000824040990 607436556 /nfs/dbraw/zinc/43/65/56/607436556.db2.gz WETIZUZNBVUORG-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000824040990 607436558 /nfs/dbraw/zinc/43/65/58/607436558.db2.gz WETIZUZNBVUORG-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM CN(Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000737482443 600347708 /nfs/dbraw/zinc/34/77/08/600347708.db2.gz MXCSCAPPWQHXSF-HXUWFJFHSA-N -1 3 396.491 3.583 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737369477 600388071 /nfs/dbraw/zinc/38/80/71/600388071.db2.gz JGLUHXUBEWSOKJ-UHFFFAOYSA-N -1 3 387.455 3.552 20 0 GHADHM Cc1ccccc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738755161 600400883 /nfs/dbraw/zinc/40/08/83/600400883.db2.gz OVJFVTBQQACSEW-LJQANCHMSA-N -1 3 386.879 3.669 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1OCC(F)(F)F ZINC000737887741 600424328 /nfs/dbraw/zinc/42/43/28/600424328.db2.gz ZTGXCUUWJOCPGJ-MRXNPFEDSA-N -1 3 387.329 3.691 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000826244452 607444250 /nfs/dbraw/zinc/44/42/50/607444250.db2.gz STIBPTHIESVSKL-UHFFFAOYSA-N -1 3 395.466 3.989 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000826244452 607444251 /nfs/dbraw/zinc/44/42/51/607444251.db2.gz STIBPTHIESVSKL-UHFFFAOYSA-N -1 3 395.466 3.989 20 0 GHADHM COC(=O)c1c(CNC(C)(C)C(=O)[O-])nc2ccccc2c1-c1ccccc1 ZINC000737651352 600459872 /nfs/dbraw/zinc/45/98/72/600459872.db2.gz RNARFRUFVGIWOG-UHFFFAOYSA-N -1 3 378.428 3.641 20 0 GHADHM CSc1cccc(N(C(=O)c2ccc(C(=O)[O-])cc2)C2CCN(C)CC2)c1 ZINC000738215217 600480008 /nfs/dbraw/zinc/48/00/08/600480008.db2.gz VOJZXGCXDLTZOA-UHFFFAOYSA-N -1 3 384.501 3.848 20 0 GHADHM Cc1ccc([C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C2CC2)cc1 ZINC000826284547 607448439 /nfs/dbraw/zinc/44/84/39/607448439.db2.gz XBQFMNXEWNCFOS-IBGZPJMESA-N -1 3 388.475 3.615 20 0 GHADHM Cc1ccc([C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C2CC2)cc1 ZINC000826284547 607448441 /nfs/dbraw/zinc/44/84/41/607448441.db2.gz XBQFMNXEWNCFOS-IBGZPJMESA-N -1 3 388.475 3.615 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000832914174 600694119 /nfs/dbraw/zinc/69/41/19/600694119.db2.gz BXEYMVAMEQHVQR-HOTGVXAUSA-N -1 3 392.459 3.557 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736814816 600744763 /nfs/dbraw/zinc/74/47/63/600744763.db2.gz MNYAYYZAEVDWRI-KRWDZBQOSA-N -1 3 396.491 3.929 20 0 GHADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1F ZINC000833168147 600749550 /nfs/dbraw/zinc/74/95/50/600749550.db2.gz UXBKACSTKOVKNX-SJKOYZFVSA-N -1 3 393.256 3.582 20 0 GHADHM O=C(Nc1cc(Cl)[nH]n1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826451716 607471993 /nfs/dbraw/zinc/47/19/93/607471993.db2.gz SNRMEZDRJZNNJV-UHFFFAOYSA-N -1 3 397.851 3.647 20 0 GHADHM O=C(Nc1cc(Cl)[nH]n1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826451716 607471995 /nfs/dbraw/zinc/47/19/95/607471995.db2.gz SNRMEZDRJZNNJV-UHFFFAOYSA-N -1 3 397.851 3.647 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832931458 601024609 /nfs/dbraw/zinc/02/46/09/601024609.db2.gz YEMZCXROCKWQRL-LEWJYISDSA-N -1 3 395.503 3.969 20 0 GHADHM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830500595 601132738 /nfs/dbraw/zinc/13/27/38/601132738.db2.gz SUPKOZVISRSLCY-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830500358 601132941 /nfs/dbraw/zinc/13/29/41/601132941.db2.gz PCGKADBSSRMUBX-OAQYLSRUSA-N -1 3 395.503 3.832 20 0 GHADHM CSc1cccc(N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CCN(C)CC2)c1 ZINC000832785031 601156294 /nfs/dbraw/zinc/15/62/94/601156294.db2.gz FXQULPCFSPUEPU-HOTGVXAUSA-N -1 3 390.549 3.727 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820291968 607499727 /nfs/dbraw/zinc/49/97/27/607499727.db2.gz BEJNONAOHGPHOD-HUUCEWRRSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820291968 607499729 /nfs/dbraw/zinc/49/97/29/607499729.db2.gz BEJNONAOHGPHOD-HUUCEWRRSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820294501 607500248 /nfs/dbraw/zinc/50/02/48/607500248.db2.gz UAIOHZYQIGRSSG-ZDUSSCGKSA-N -1 3 385.468 3.538 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820294501 607500250 /nfs/dbraw/zinc/50/02/50/607500250.db2.gz UAIOHZYQIGRSSG-ZDUSSCGKSA-N -1 3 385.468 3.538 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000830110024 601369274 /nfs/dbraw/zinc/36/92/74/601369274.db2.gz WWYCIQTWFXYGQN-HXUWFJFHSA-N -1 3 396.487 4.000 20 0 GHADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1C ZINC000821083341 607506472 /nfs/dbraw/zinc/50/64/72/607506472.db2.gz YGCOOLJBYYHLTP-UHFFFAOYSA-N -1 3 398.471 3.603 20 0 GHADHM CCCCn1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1C ZINC000821083341 607506476 /nfs/dbraw/zinc/50/64/76/607506476.db2.gz YGCOOLJBYYHLTP-UHFFFAOYSA-N -1 3 398.471 3.603 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000833032743 601622582 /nfs/dbraw/zinc/62/25/82/601622582.db2.gz NBGJAGZJFCJKML-UHFFFAOYSA-N -1 3 384.501 3.556 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000833032482 601626919 /nfs/dbraw/zinc/62/69/19/601626919.db2.gz HEYNZKRUSJETGL-UHFFFAOYSA-N -1 3 376.453 3.745 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000826051060 601651065 /nfs/dbraw/zinc/65/10/65/601651065.db2.gz ACKGPUWJJJVVIB-APPDUMDISA-N -1 3 381.259 3.984 20 0 GHADHM Cc1ccc(CN(C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832930523 601652845 /nfs/dbraw/zinc/65/28/45/601652845.db2.gz LAGZOGWVOBNTOS-HTAPYJJXSA-N -1 3 380.488 3.538 20 0 GHADHM CC(C)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)C(=O)[O-] ZINC000827097392 601825113 /nfs/dbraw/zinc/82/51/13/601825113.db2.gz MDIGWOWVPSFEQW-HNNXBMFYSA-N -1 3 391.880 3.916 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176764 601930187 /nfs/dbraw/zinc/93/01/87/601930187.db2.gz JXHBBQJWGQBNKY-QAPCUYQASA-N -1 3 382.464 3.585 20 0 GHADHM CNC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000831010769 602033272 /nfs/dbraw/zinc/03/32/72/602033272.db2.gz CVBYCSPVWYTQTM-MRXNPFEDSA-N -1 3 381.259 3.611 20 0 GHADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000833172654 602043052 /nfs/dbraw/zinc/04/30/52/602043052.db2.gz VTQCNKAOFHXQTL-MEDUHNTESA-N -1 3 395.290 3.536 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000832048984 602163637 /nfs/dbraw/zinc/16/36/37/602163637.db2.gz BVBHKWZHQDMJRV-PIGZYNQJSA-N -1 3 394.265 3.943 20 0 GHADHM O=C([O-])Nc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccc1F ZINC000740695260 602511358 /nfs/dbraw/zinc/51/13/58/602511358.db2.gz GVWWTEPKXOQAOA-UHFFFAOYSA-N -1 3 399.466 3.696 20 0 GHADHM O=C([O-])Nc1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)ccc1F ZINC000740696382 602512749 /nfs/dbraw/zinc/51/27/49/602512749.db2.gz QQWDZPZMHDJFLC-IBGZPJMESA-N -1 3 385.439 3.873 20 0 GHADHM COc1ccc(CNC(=O)c2oc3ccc(Cl)cc3c2C)cc1-c1nnn[n-]1 ZINC000826201716 607580412 /nfs/dbraw/zinc/58/04/12/607580412.db2.gz CBCOHRAJQUSYPX-UHFFFAOYSA-N -1 3 397.822 3.513 20 0 GHADHM COc1ccc(CNC(=O)c2oc3ccc(Cl)cc3c2C)cc1-c1nn[n-]n1 ZINC000826201716 607580414 /nfs/dbraw/zinc/58/04/14/607580414.db2.gz CBCOHRAJQUSYPX-UHFFFAOYSA-N -1 3 397.822 3.513 20 0 GHADHM CC[C@@H](SC)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000825159731 607578121 /nfs/dbraw/zinc/57/81/21/607578121.db2.gz RVWJSHPLYGXKSD-GOSISDBHSA-N -1 3 399.495 3.989 20 0 GHADHM CC[C@@H](SC)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000825159731 607578123 /nfs/dbraw/zinc/57/81/23/607578123.db2.gz RVWJSHPLYGXKSD-GOSISDBHSA-N -1 3 399.495 3.989 20 0 GHADHM Cc1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1NC(=O)[O-] ZINC000830185971 603230394 /nfs/dbraw/zinc/23/03/94/603230394.db2.gz DLDFFWUUDBPVBX-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829362451 603272733 /nfs/dbraw/zinc/27/27/33/603272733.db2.gz LILHLSAPMVRLHZ-CYBMUJFWSA-N -1 3 386.452 3.729 20 0 GHADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(OCc2ccccn2)c1 ZINC000825503325 603538473 /nfs/dbraw/zinc/53/84/73/603538473.db2.gz QRPSQBQKKHQUJE-OAHLLOKOSA-N -1 3 378.432 3.996 20 0 GHADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000827975869 603734187 /nfs/dbraw/zinc/73/41/87/603734187.db2.gz PUFJHZCVOLYDNF-SJLPKXTDSA-N -1 3 391.537 3.815 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000825423317 603811762 /nfs/dbraw/zinc/81/17/62/603811762.db2.gz OPBVJPXWJIEXRA-CQSZACIVSA-N -1 3 390.509 3.672 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000826250229 607651972 /nfs/dbraw/zinc/65/19/72/607651972.db2.gz QENDTLIKBIKITQ-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000826250229 607651973 /nfs/dbraw/zinc/65/19/73/607651973.db2.gz QENDTLIKBIKITQ-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000826244429 607664987 /nfs/dbraw/zinc/66/49/87/607664987.db2.gz RTCKKEVRBSVEBA-UHFFFAOYSA-N -1 3 377.423 3.634 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000826244429 607664989 /nfs/dbraw/zinc/66/49/89/607664989.db2.gz RTCKKEVRBSVEBA-UHFFFAOYSA-N -1 3 377.423 3.634 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)c1ccccc1OC ZINC000825300706 607674927 /nfs/dbraw/zinc/67/49/27/607674927.db2.gz CYFYZIBFIYFXTK-HNNXBMFYSA-N -1 3 379.464 3.797 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)c1ccccc1OC ZINC000825300706 607674929 /nfs/dbraw/zinc/67/49/29/607674929.db2.gz CYFYZIBFIYFXTK-HNNXBMFYSA-N -1 3 379.464 3.797 20 0 GHADHM C[C@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000825484271 604379832 /nfs/dbraw/zinc/37/98/32/604379832.db2.gz GIFUBQAYIDYXIX-UGSOOPFHSA-N -1 3 385.855 3.580 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000573974710 604453899 /nfs/dbraw/zinc/45/38/99/604453899.db2.gz AFIGUHROIPIQMJ-KRWDZBQOSA-N -1 3 381.375 3.563 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN(C)C3(C(=O)[O-])CCCC3)cc2)cc1 ZINC000832957084 604457982 /nfs/dbraw/zinc/45/79/82/604457982.db2.gz WWSPZFYMMXDTPM-UHFFFAOYSA-N -1 3 387.501 3.657 20 0 GHADHM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000831994918 604464122 /nfs/dbraw/zinc/46/41/22/604464122.db2.gz AYEDQHYSTISIKE-INIZCTEOSA-N -1 3 395.377 3.648 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826233403 607694021 /nfs/dbraw/zinc/69/40/21/607694021.db2.gz GCLJQPBTIJRIJO-SNVBAGLBSA-N -1 3 380.839 3.801 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826233403 607694023 /nfs/dbraw/zinc/69/40/23/607694023.db2.gz GCLJQPBTIJRIJO-SNVBAGLBSA-N -1 3 380.839 3.801 20 0 GHADHM C[C@H](Oc1ccc(CN(C)Cc2cccc(Br)c2)cc1)C(=O)[O-] ZINC000833538299 604532145 /nfs/dbraw/zinc/53/21/45/604532145.db2.gz SUCVTHZUZCKLNB-ZDUSSCGKSA-N -1 3 378.266 3.933 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000826249955 607697146 /nfs/dbraw/zinc/69/71/46/607697146.db2.gz CRYAJTQUNBOYOU-UHFFFAOYSA-N -1 3 381.411 3.888 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000826249955 607697147 /nfs/dbraw/zinc/69/71/47/607697147.db2.gz CRYAJTQUNBOYOU-UHFFFAOYSA-N -1 3 381.411 3.888 20 0 GHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000833756338 604546856 /nfs/dbraw/zinc/54/68/56/604546856.db2.gz KDHWCGIEIKECBZ-SFHVURJKSA-N -1 3 389.459 3.515 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000826243972 607702886 /nfs/dbraw/zinc/70/28/86/607702886.db2.gz CBOGURAGUSDLIW-UHFFFAOYSA-N -1 3 377.423 3.634 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000826243972 607702888 /nfs/dbraw/zinc/70/28/88/607702888.db2.gz CBOGURAGUSDLIW-UHFFFAOYSA-N -1 3 377.423 3.634 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833544479 604637026 /nfs/dbraw/zinc/63/70/26/604637026.db2.gz YMWYOPKGKGRPHZ-BTYIYWSLSA-N -1 3 387.451 3.623 20 0 GHADHM COc1cc(N[C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)cc(OC)c1 ZINC000832025842 604801781 /nfs/dbraw/zinc/80/17/81/604801781.db2.gz FHUKBECOTUKXEL-ZDUSSCGKSA-N -1 3 376.478 3.540 20 0 GHADHM Cc1sc2nc([C@@H](C)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)nc(N)c2c1C ZINC000833758677 605059095 /nfs/dbraw/zinc/05/90/95/605059095.db2.gz LMFGIFAZIUVMAS-YPMHNXCESA-N -1 3 376.526 3.774 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC1(C)C ZINC000826268740 607735010 /nfs/dbraw/zinc/73/50/10/607735010.db2.gz LIZFGLQFKXFGNZ-KRWDZBQOSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC1(C)C ZINC000826268740 607735011 /nfs/dbraw/zinc/73/50/11/607735011.db2.gz LIZFGLQFKXFGNZ-KRWDZBQOSA-N -1 3 379.439 3.894 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000825503365 605118841 /nfs/dbraw/zinc/11/88/41/605118841.db2.gz RNLDYLQPMKBOQQ-LSDHHAIUSA-N -1 3 383.448 3.823 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000826353216 607737476 /nfs/dbraw/zinc/73/74/76/607737476.db2.gz GRCMWIVLIRJASO-CYBMUJFWSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000826353216 607737477 /nfs/dbraw/zinc/73/74/77/607737477.db2.gz GRCMWIVLIRJASO-CYBMUJFWSA-N -1 3 392.850 3.726 20 0 GHADHM CCn1cc(C2CCN([C@@H](C(=O)[O-])c3cccc(Br)c3)CC2)cn1 ZINC000578447904 605202079 /nfs/dbraw/zinc/20/20/79/605202079.db2.gz AEMBVTUQIKFQFF-QGZVFWFLSA-N -1 3 392.297 3.671 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000826241613 607765117 /nfs/dbraw/zinc/76/51/17/607765117.db2.gz IZHRMEZNKLOUAL-CYBMUJFWSA-N -1 3 398.854 3.514 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000826241613 607765118 /nfs/dbraw/zinc/76/51/18/607765118.db2.gz IZHRMEZNKLOUAL-CYBMUJFWSA-N -1 3 398.854 3.514 20 0 GHADHM CCCCS[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825296394 607769246 /nfs/dbraw/zinc/76/92/46/607769246.db2.gz HCFSKMZHHCQSBB-LLVKDONJSA-N -1 3 388.522 3.851 20 0 GHADHM CCCCS[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296394 607769247 /nfs/dbraw/zinc/76/92/47/607769247.db2.gz HCFSKMZHHCQSBB-LLVKDONJSA-N -1 3 388.522 3.851 20 0 GHADHM Cc1nccn1-c1ccc(CN[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)cc1F ZINC000833917610 605793525 /nfs/dbraw/zinc/79/35/25/605793525.db2.gz HGYZWBJYRSVDCY-OALUTQOASA-N -1 3 380.423 3.863 20 0 GHADHM Fc1cccc(COc2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)c1 ZINC000822787006 606039358 /nfs/dbraw/zinc/03/93/58/606039358.db2.gz RWAHLZFUJGRZFF-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cccc(COc2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2)c1 ZINC000822787006 606039364 /nfs/dbraw/zinc/03/93/64/606039364.db2.gz RWAHLZFUJGRZFF-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM C[C@@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774360 606091237 /nfs/dbraw/zinc/09/12/37/606091237.db2.gz BHNGXUWGTBOPTF-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774360 606091239 /nfs/dbraw/zinc/09/12/39/606091239.db2.gz BHNGXUWGTBOPTF-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820717738 606109660 /nfs/dbraw/zinc/10/96/60/606109660.db2.gz VOOYJJZLHCHQED-BPURTMGMSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820717738 606109663 /nfs/dbraw/zinc/10/96/63/606109663.db2.gz VOOYJJZLHCHQED-BPURTMGMSA-N -1 3 377.423 3.629 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821608400 606115246 /nfs/dbraw/zinc/11/52/46/606115246.db2.gz FOULCPRWLGITAJ-UHFFFAOYSA-N -1 3 382.811 3.930 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821608400 606115248 /nfs/dbraw/zinc/11/52/48/606115248.db2.gz FOULCPRWLGITAJ-UHFFFAOYSA-N -1 3 382.811 3.930 20 0 GHADHM Cc1sc(NC(=O)c2ccc(C)c(Br)c2)c(-c2nnn[n-]2)c1C ZINC000822227391 606148160 /nfs/dbraw/zinc/14/81/60/606148160.db2.gz GZJMKOODNVLCKK-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2ccc(C)c(Br)c2)c(-c2nn[n-]n2)c1C ZINC000822227391 606148162 /nfs/dbraw/zinc/14/81/62/606148162.db2.gz GZJMKOODNVLCKK-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823303822 606154137 /nfs/dbraw/zinc/15/41/37/606154137.db2.gz WPDNDSMNRAPCSE-QWRGUYRKSA-N -1 3 380.374 3.539 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823303822 606154138 /nfs/dbraw/zinc/15/41/38/606154138.db2.gz WPDNDSMNRAPCSE-QWRGUYRKSA-N -1 3 380.374 3.539 20 0 GHADHM C[C@@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820716631 606167181 /nfs/dbraw/zinc/16/71/81/606167181.db2.gz KANMUWVDPRCEIZ-SJKOYZFVSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820716631 606167182 /nfs/dbraw/zinc/16/71/82/606167182.db2.gz KANMUWVDPRCEIZ-SJKOYZFVSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819467 606189789 /nfs/dbraw/zinc/18/97/89/606189789.db2.gz IXCVAKVCJJOZQQ-UONOGXRCSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819467 606189791 /nfs/dbraw/zinc/18/97/91/606189791.db2.gz IXCVAKVCJJOZQQ-UONOGXRCSA-N -1 3 379.489 3.715 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000821122885 606192331 /nfs/dbraw/zinc/19/23/31/606192331.db2.gz ASZNWNLJQMBLBS-UHFFFAOYSA-N -1 3 389.419 3.596 20 0 GHADHM CCC(=O)[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820833038 606236520 /nfs/dbraw/zinc/23/65/20/606236520.db2.gz QVBYZMRIKIMCEE-LBPRGKRZSA-N -1 3 382.445 3.542 20 0 GHADHM CCC(=O)[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820833038 606236521 /nfs/dbraw/zinc/23/65/21/606236521.db2.gz QVBYZMRIKIMCEE-LBPRGKRZSA-N -1 3 382.445 3.542 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821790110 606269584 /nfs/dbraw/zinc/26/95/84/606269584.db2.gz IDDVQAJVVUZWKG-UHFFFAOYSA-N -1 3 383.427 3.756 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821790110 606269585 /nfs/dbraw/zinc/26/95/85/606269585.db2.gz IDDVQAJVVUZWKG-UHFFFAOYSA-N -1 3 383.427 3.756 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2ccccc2F)n1 ZINC000823346341 606272307 /nfs/dbraw/zinc/27/23/07/606272307.db2.gz LXPRNTCHWDMKIC-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2ccccc2F)n1 ZINC000823346341 606272309 /nfs/dbraw/zinc/27/23/09/606272309.db2.gz LXPRNTCHWDMKIC-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000821118697 606281398 /nfs/dbraw/zinc/28/13/98/606281398.db2.gz PMDATUYEAZIYMX-UONOGXRCSA-N -1 3 398.417 3.709 20 0 GHADHM CC1(C)CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCS1 ZINC000820601418 606295294 /nfs/dbraw/zinc/29/52/94/606295294.db2.gz KMEMGLMPSONRAN-UHFFFAOYSA-N -1 3 395.488 3.627 20 0 GHADHM CC1(C)CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000820601418 606295296 /nfs/dbraw/zinc/29/52/96/606295296.db2.gz KMEMGLMPSONRAN-UHFFFAOYSA-N -1 3 395.488 3.627 20 0 GHADHM COC(=O)[C@H](Nc1ccc(-c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644477 606297289 /nfs/dbraw/zinc/29/72/89/606297289.db2.gz AMNNXYLHMRLARV-HXUWFJFHSA-N -1 3 385.427 3.860 20 0 GHADHM COC(=O)[C@H](Nc1ccc(-c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644477 606297290 /nfs/dbraw/zinc/29/72/90/606297290.db2.gz AMNNXYLHMRLARV-HXUWFJFHSA-N -1 3 385.427 3.860 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640235 606301304 /nfs/dbraw/zinc/30/13/04/606301304.db2.gz DGEWINZITPUVFP-LIRRHRJNSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640235 606301305 /nfs/dbraw/zinc/30/13/05/606301305.db2.gz DGEWINZITPUVFP-LIRRHRJNSA-N -1 3 393.491 3.729 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nccn1Cc1ccccc1 ZINC000820155233 606309418 /nfs/dbraw/zinc/30/94/18/606309418.db2.gz LMTQIOULGCRSAV-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nccn1Cc1ccccc1 ZINC000820155233 606309419 /nfs/dbraw/zinc/30/94/19/606309419.db2.gz LMTQIOULGCRSAV-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000821574377 606321732 /nfs/dbraw/zinc/32/17/32/606321732.db2.gz DNADMOHTJQPLBV-UHFFFAOYSA-N -1 3 388.456 3.690 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000821574377 606321734 /nfs/dbraw/zinc/32/17/34/606321734.db2.gz DNADMOHTJQPLBV-UHFFFAOYSA-N -1 3 388.456 3.690 20 0 GHADHM CC(C)C[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820054818 606325129 /nfs/dbraw/zinc/32/51/29/606325129.db2.gz CQXXIQPWVXIEEW-SFHVURJKSA-N -1 3 381.505 3.862 20 0 GHADHM CC(C)C[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820054818 606325131 /nfs/dbraw/zinc/32/51/31/606325131.db2.gz CQXXIQPWVXIEEW-SFHVURJKSA-N -1 3 381.505 3.862 20 0 GHADHM Cc1cc(-n2c(C)cc(C(=O)CSc3cccc(-c4nnn[n-]4)c3)c2C)no1 ZINC000822151466 606327384 /nfs/dbraw/zinc/32/73/84/606327384.db2.gz BNTYHVINXDRQML-UHFFFAOYSA-N -1 3 394.460 3.546 20 0 GHADHM Cc1cc(-n2c(C)cc(C(=O)CSc3cccc(-c4nn[n-]n4)c3)c2C)no1 ZINC000822151466 606327386 /nfs/dbraw/zinc/32/73/86/606327386.db2.gz BNTYHVINXDRQML-UHFFFAOYSA-N -1 3 394.460 3.546 20 0 GHADHM c1ccc2c(c1)N(Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)CC21CCCC1 ZINC000823738386 606335076 /nfs/dbraw/zinc/33/50/76/606335076.db2.gz TVBDCGOPZKPUTA-UHFFFAOYSA-N -1 3 399.458 3.749 20 0 GHADHM c1ccc2c(c1)N(Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)CC21CCCC1 ZINC000823738386 606335078 /nfs/dbraw/zinc/33/50/78/606335078.db2.gz TVBDCGOPZKPUTA-UHFFFAOYSA-N -1 3 399.458 3.749 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2c(n1)onc2C(C)C ZINC000822184295 606340099 /nfs/dbraw/zinc/34/00/99/606340099.db2.gz RPAJDFLATNYXCC-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2c(n1)onc2C(C)C ZINC000822184295 606340101 /nfs/dbraw/zinc/34/01/01/606340101.db2.gz RPAJDFLATNYXCC-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823343889 606346651 /nfs/dbraw/zinc/34/66/51/606346651.db2.gz KAWXGESYXDBGHD-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823343889 606346653 /nfs/dbraw/zinc/34/66/53/606346653.db2.gz KAWXGESYXDBGHD-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM C[C@H](OC(=O)c1sccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518897 606348148 /nfs/dbraw/zinc/34/81/48/606348148.db2.gz MZAREAILKKWFTA-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1sccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518897 606348150 /nfs/dbraw/zinc/34/81/50/606348150.db2.gz MZAREAILKKWFTA-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820921274 606352415 /nfs/dbraw/zinc/35/24/15/606352415.db2.gz XRXLPDGNHNMQKK-SNVBAGLBSA-N -1 3 380.836 3.994 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820921274 606352417 /nfs/dbraw/zinc/35/24/17/606352417.db2.gz XRXLPDGNHNMQKK-SNVBAGLBSA-N -1 3 380.836 3.994 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487054 606354072 /nfs/dbraw/zinc/35/40/72/606354072.db2.gz FDLLVXUJMQADKP-HCRIHEDKSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487054 606354074 /nfs/dbraw/zinc/35/40/74/606354074.db2.gz FDLLVXUJMQADKP-HCRIHEDKSA-N -1 3 377.429 3.794 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822500922 606355269 /nfs/dbraw/zinc/35/52/69/606355269.db2.gz MKRMTDZPSYEUFM-INIZCTEOSA-N -1 3 396.495 3.573 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822500922 606355271 /nfs/dbraw/zinc/35/52/71/606355271.db2.gz MKRMTDZPSYEUFM-INIZCTEOSA-N -1 3 396.495 3.573 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535532 606357296 /nfs/dbraw/zinc/35/72/96/606357296.db2.gz VQAYYMXFEUMOOW-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535532 606357297 /nfs/dbraw/zinc/35/72/97/606357297.db2.gz VQAYYMXFEUMOOW-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM CCc1noc(C)c1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821554765 606361415 /nfs/dbraw/zinc/36/14/15/606361415.db2.gz RNUVDMUKWOYIEO-UHFFFAOYSA-N -1 3 391.387 3.737 20 0 GHADHM CCc1noc(C)c1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821554765 606361417 /nfs/dbraw/zinc/36/14/17/606361417.db2.gz RNUVDMUKWOYIEO-UHFFFAOYSA-N -1 3 391.387 3.737 20 0 GHADHM C[C@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1 ZINC000820226438 606397728 /nfs/dbraw/zinc/39/77/28/606397728.db2.gz VMHOLZXNNXWFHG-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1 ZINC000820226438 606397730 /nfs/dbraw/zinc/39/77/30/606397730.db2.gz VMHOLZXNNXWFHG-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM COc1cccc(C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821862477 606399726 /nfs/dbraw/zinc/39/97/26/606399726.db2.gz BSZKEWBJDCMTIQ-INIZCTEOSA-N -1 3 386.459 3.635 20 0 GHADHM COc1cccc(C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821862477 606399728 /nfs/dbraw/zinc/39/97/28/606399728.db2.gz BSZKEWBJDCMTIQ-INIZCTEOSA-N -1 3 386.459 3.635 20 0 GHADHM FC(F)(F)CN(Cc1cccs1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822718735 606415255 /nfs/dbraw/zinc/41/52/55/606415255.db2.gz QLLLSAAMYWPMCC-UHFFFAOYSA-N -1 3 398.439 3.690 20 0 GHADHM FC(F)(F)CN(Cc1cccs1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822718735 606415256 /nfs/dbraw/zinc/41/52/56/606415256.db2.gz QLLLSAAMYWPMCC-UHFFFAOYSA-N -1 3 398.439 3.690 20 0 GHADHM C[C@@H]1c2ccsc2CCN1c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820826024 606442726 /nfs/dbraw/zinc/44/27/26/606442726.db2.gz IKSHTCSLSIJWFE-SECBINFHSA-N -1 3 384.415 3.878 20 0 GHADHM C[C@@H]1c2ccsc2CCN1c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820826024 606442727 /nfs/dbraw/zinc/44/27/27/606442727.db2.gz IKSHTCSLSIJWFE-SECBINFHSA-N -1 3 384.415 3.878 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820848227 606448458 /nfs/dbraw/zinc/44/84/58/606448458.db2.gz TZAFXLGVMYJFFR-UHFFFAOYSA-N -1 3 382.443 3.536 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820848227 606448460 /nfs/dbraw/zinc/44/84/60/606448460.db2.gz TZAFXLGVMYJFFR-UHFFFAOYSA-N -1 3 382.443 3.536 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000823367628 606452734 /nfs/dbraw/zinc/45/27/34/606452734.db2.gz MJPOFBJFAZTHKM-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000823367628 606452736 /nfs/dbraw/zinc/45/27/36/606452736.db2.gz MJPOFBJFAZTHKM-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM CCc1ccc(CC)c(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821481460 606459614 /nfs/dbraw/zinc/45/96/14/606459614.db2.gz JZYOGQRRBYPAJX-UHFFFAOYSA-N -1 3 381.505 3.863 20 0 GHADHM CCc1ccc(CC)c(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821481460 606459616 /nfs/dbraw/zinc/45/96/16/606459616.db2.gz JZYOGQRRBYPAJX-UHFFFAOYSA-N -1 3 381.505 3.863 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc2ccc(Cl)cc2n1 ZINC000823387677 606479340 /nfs/dbraw/zinc/47/93/40/606479340.db2.gz UGWVJFKMTNFKIV-UHFFFAOYSA-N -1 3 396.863 3.871 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc2ccc(Cl)cc2n1 ZINC000823387677 606479342 /nfs/dbraw/zinc/47/93/42/606479342.db2.gz UGWVJFKMTNFKIV-UHFFFAOYSA-N -1 3 396.863 3.871 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000823472204 606481086 /nfs/dbraw/zinc/48/10/86/606481086.db2.gz DJUHJGCTMFZKQI-LBPRGKRZSA-N -1 3 382.474 3.515 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000823472204 606481088 /nfs/dbraw/zinc/48/10/88/606481088.db2.gz DJUHJGCTMFZKQI-LBPRGKRZSA-N -1 3 382.474 3.515 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cc(-c3nnn[n-]3)cs2)n1 ZINC000821783126 606485833 /nfs/dbraw/zinc/48/58/33/606485833.db2.gz XDYRBTMKHMZULN-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cc(-c3nn[n-]n3)cs2)n1 ZINC000821783126 606485835 /nfs/dbraw/zinc/48/58/35/606485835.db2.gz XDYRBTMKHMZULN-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821782933 606485890 /nfs/dbraw/zinc/48/58/90/606485890.db2.gz STUWIVVUVMOUKL-INIZCTEOSA-N -1 3 383.477 3.694 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821782933 606485892 /nfs/dbraw/zinc/48/58/92/606485892.db2.gz STUWIVVUVMOUKL-INIZCTEOSA-N -1 3 383.477 3.694 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000823108293 606488135 /nfs/dbraw/zinc/48/81/35/606488135.db2.gz LDUZQYDWCWAGNP-UHFFFAOYSA-N -1 3 395.426 3.591 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000823108293 606488137 /nfs/dbraw/zinc/48/81/37/606488137.db2.gz LDUZQYDWCWAGNP-UHFFFAOYSA-N -1 3 395.426 3.591 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000823111495 606494146 /nfs/dbraw/zinc/49/41/46/606494146.db2.gz KMZYIQSLWAMGFC-UHFFFAOYSA-N -1 3 382.729 3.687 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000823111495 606494148 /nfs/dbraw/zinc/49/41/48/606494148.db2.gz KMZYIQSLWAMGFC-UHFFFAOYSA-N -1 3 382.729 3.687 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000823466718 606496479 /nfs/dbraw/zinc/49/64/79/606496479.db2.gz OQJREZVBBUMCJO-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000823466718 606496481 /nfs/dbraw/zinc/49/64/81/606496481.db2.gz OQJREZVBBUMCJO-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821417818 606498905 /nfs/dbraw/zinc/49/89/05/606498905.db2.gz SUKMTNYDDXSLBR-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821417818 606498908 /nfs/dbraw/zinc/49/89/08/606498908.db2.gz SUKMTNYDDXSLBR-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM FC(F)CN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822731948 606502656 /nfs/dbraw/zinc/50/26/56/606502656.db2.gz GJTMXRYHXLBIBG-UHFFFAOYSA-N -1 3 395.360 3.735 20 0 GHADHM FC(F)CN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822731948 606502658 /nfs/dbraw/zinc/50/26/58/606502658.db2.gz GJTMXRYHXLBIBG-UHFFFAOYSA-N -1 3 395.360 3.735 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(Oc2ccccc2)cc1 ZINC000823098017 606544706 /nfs/dbraw/zinc/54/47/06/606544706.db2.gz HJPQGQDXMNFLRR-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(Oc2ccccc2)cc1 ZINC000823098017 606544707 /nfs/dbraw/zinc/54/47/07/606544707.db2.gz HJPQGQDXMNFLRR-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM C[C@H](CNC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000820261292 606545634 /nfs/dbraw/zinc/54/56/34/606545634.db2.gz MDUSNMYUWWZSDR-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM C[C@H](CNC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000820261292 606545636 /nfs/dbraw/zinc/54/56/36/606545636.db2.gz MDUSNMYUWWZSDR-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822232056 606570034 /nfs/dbraw/zinc/57/00/34/606570034.db2.gz RQSVXYFWLSIOPE-KKSFZXQISA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822232056 606570036 /nfs/dbraw/zinc/57/00/36/606570036.db2.gz RQSVXYFWLSIOPE-KKSFZXQISA-N -1 3 375.476 3.717 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NC2CC(C)C2)cc1 ZINC000821703262 606576708 /nfs/dbraw/zinc/57/67/08/606576708.db2.gz XFGNMWWLLAYJBA-UHFFFAOYSA-N -1 3 394.435 3.588 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NC2CC(C)C2)cc1 ZINC000821703262 606576709 /nfs/dbraw/zinc/57/67/09/606576709.db2.gz XFGNMWWLLAYJBA-UHFFFAOYSA-N -1 3 394.435 3.588 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N1CCC[C@@H]1C ZINC000822211685 606577312 /nfs/dbraw/zinc/57/73/12/606577312.db2.gz KXBYXNNTYIRUME-HNNXBMFYSA-N -1 3 392.463 3.770 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N1CCC[C@@H]1C ZINC000822211685 606577314 /nfs/dbraw/zinc/57/73/14/606577314.db2.gz KXBYXNNTYIRUME-HNNXBMFYSA-N -1 3 392.463 3.770 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819951290 606578909 /nfs/dbraw/zinc/57/89/09/606578909.db2.gz RBLSWHVVGCMNIP-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819951290 606578910 /nfs/dbraw/zinc/57/89/10/606578910.db2.gz RBLSWHVVGCMNIP-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765872 606612068 /nfs/dbraw/zinc/61/20/68/606612068.db2.gz SYCSARXYKMLWIR-XFXZXTDPSA-N -1 3 386.358 3.615 20 0 GHADHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765872 606612070 /nfs/dbraw/zinc/61/20/70/606612070.db2.gz SYCSARXYKMLWIR-XFXZXTDPSA-N -1 3 386.358 3.615 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819988011 606620155 /nfs/dbraw/zinc/62/01/55/606620155.db2.gz QCMHMIWZYLQVCS-UHFFFAOYSA-N -1 3 387.846 3.544 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819988011 606620157 /nfs/dbraw/zinc/62/01/57/606620157.db2.gz QCMHMIWZYLQVCS-UHFFFAOYSA-N -1 3 387.846 3.544 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000822220116 606630234 /nfs/dbraw/zinc/63/02/34/606630234.db2.gz DQMQCIOOQZUMMI-UHFFFAOYSA-N -1 3 386.415 3.503 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000822220116 606630236 /nfs/dbraw/zinc/63/02/36/606630236.db2.gz DQMQCIOOQZUMMI-UHFFFAOYSA-N -1 3 386.415 3.503 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C\SCc1ccco1 ZINC000820116787 606636231 /nfs/dbraw/zinc/63/62/31/606636231.db2.gz NPKIXNYDGGMABH-LUAWRHEFSA-N -1 3 383.477 3.644 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C\SCc1ccco1 ZINC000820116787 606636232 /nfs/dbraw/zinc/63/62/32/606636232.db2.gz NPKIXNYDGGMABH-LUAWRHEFSA-N -1 3 383.477 3.644 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820512533 606654294 /nfs/dbraw/zinc/65/42/94/606654294.db2.gz LWWMJCOUSCXHOA-CQSZACIVSA-N -1 3 393.447 3.582 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000821155011 606665439 /nfs/dbraw/zinc/66/54/39/606665439.db2.gz URESLWLMIXHETL-UHFFFAOYSA-N -1 3 387.434 3.576 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000821155011 606665440 /nfs/dbraw/zinc/66/54/40/606665440.db2.gz URESLWLMIXHETL-UHFFFAOYSA-N -1 3 387.434 3.576 20 0 GHADHM O=C(Oc1ccccc1Oc1ccccn1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823453838 606675791 /nfs/dbraw/zinc/67/57/91/606675791.db2.gz BKCDURHSRILZBT-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM O=C(Oc1ccccc1Oc1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823453838 606675792 /nfs/dbraw/zinc/67/57/92/606675792.db2.gz BKCDURHSRILZBT-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C=C1CCC1 ZINC000822211957 606676975 /nfs/dbraw/zinc/67/69/75/606676975.db2.gz VODISYPFCCVHDW-UHFFFAOYSA-N -1 3 375.432 3.803 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C=C1CCC1 ZINC000822211957 606676976 /nfs/dbraw/zinc/67/69/76/606676976.db2.gz VODISYPFCCVHDW-UHFFFAOYSA-N -1 3 375.432 3.803 20 0 GHADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149507 606677889 /nfs/dbraw/zinc/67/78/89/606677889.db2.gz CHIZEGDXLDDEAV-RDTXWAMCSA-N -1 3 397.429 3.676 20 0 GHADHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149507 606677890 /nfs/dbraw/zinc/67/78/90/606677890.db2.gz CHIZEGDXLDDEAV-RDTXWAMCSA-N -1 3 397.429 3.676 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821889431 606678365 /nfs/dbraw/zinc/67/83/65/606678365.db2.gz BDTOVECNGMMKSL-INIZCTEOSA-N -1 3 399.401 3.521 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821889431 606678366 /nfs/dbraw/zinc/67/83/66/606678366.db2.gz BDTOVECNGMMKSL-INIZCTEOSA-N -1 3 399.401 3.521 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372576 606679384 /nfs/dbraw/zinc/67/93/84/606679384.db2.gz GASMFLFITUCAKM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372576 606679385 /nfs/dbraw/zinc/67/93/85/606679385.db2.gz GASMFLFITUCAKM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823368483 606679514 /nfs/dbraw/zinc/67/95/14/606679514.db2.gz YDIYRPDAXBKMSX-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823368483 606679515 /nfs/dbraw/zinc/67/95/15/606679515.db2.gz YDIYRPDAXBKMSX-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820666104 606682489 /nfs/dbraw/zinc/68/24/89/606682489.db2.gz GWRYDGOFDBIYCC-TYNCELHUSA-N -1 3 383.402 3.552 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820666104 606682490 /nfs/dbraw/zinc/68/24/90/606682490.db2.gz GWRYDGOFDBIYCC-TYNCELHUSA-N -1 3 383.402 3.552 20 0 GHADHM CCC(CC)(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820887926 606683228 /nfs/dbraw/zinc/68/32/28/606683228.db2.gz XVNSUYVMTPVOJE-UHFFFAOYSA-N -1 3 385.418 3.633 20 0 GHADHM CCC(CC)(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820887926 606683229 /nfs/dbraw/zinc/68/32/29/606683229.db2.gz XVNSUYVMTPVOJE-UHFFFAOYSA-N -1 3 385.418 3.633 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819949949 606686274 /nfs/dbraw/zinc/68/62/74/606686274.db2.gz DIOZWTCBKUYKAI-UHFFFAOYSA-N -1 3 387.390 3.712 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819949949 606686275 /nfs/dbraw/zinc/68/62/75/606686275.db2.gz DIOZWTCBKUYKAI-UHFFFAOYSA-N -1 3 387.390 3.712 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820037734 606689251 /nfs/dbraw/zinc/68/92/51/606689251.db2.gz GHGUKDHTTZWJEO-GOSISDBHSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820037734 606689252 /nfs/dbraw/zinc/68/92/52/606689252.db2.gz GHGUKDHTTZWJEO-GOSISDBHSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822210853 606702185 /nfs/dbraw/zinc/70/21/85/606702185.db2.gz UDDIGTCKODIFNW-UHFFFAOYSA-N -1 3 383.477 3.735 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822210853 606702186 /nfs/dbraw/zinc/70/21/86/606702186.db2.gz UDDIGTCKODIFNW-UHFFFAOYSA-N -1 3 383.477 3.735 20 0 GHADHM COCCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCCC1 ZINC000821687307 606721471 /nfs/dbraw/zinc/72/14/71/606721471.db2.gz YAKQWLSRLISZCW-UHFFFAOYSA-N -1 3 388.422 3.702 20 0 GHADHM COCCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCC1 ZINC000821687307 606721472 /nfs/dbraw/zinc/72/14/72/606721472.db2.gz YAKQWLSRLISZCW-UHFFFAOYSA-N -1 3 388.422 3.702 20 0 GHADHM COc1cccc(C=C2CCN(c3nc(C)cc(C)c3-c3nnn[n-]3)CC2)c1 ZINC000821864080 606724734 /nfs/dbraw/zinc/72/47/34/606724734.db2.gz SMORXCTXDGFIRD-UHFFFAOYSA-N -1 3 376.464 3.571 20 0 GHADHM COc1cccc(C=C2CCN(c3nc(C)cc(C)c3-c3nn[n-]n3)CC2)c1 ZINC000821864080 606724736 /nfs/dbraw/zinc/72/47/36/606724736.db2.gz SMORXCTXDGFIRD-UHFFFAOYSA-N -1 3 376.464 3.571 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000822293638 606734037 /nfs/dbraw/zinc/73/40/37/606734037.db2.gz FLIYTZOGGZVVRB-LJQANCHMSA-N -1 3 389.459 3.986 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000822293638 606734040 /nfs/dbraw/zinc/73/40/40/606734040.db2.gz FLIYTZOGGZVVRB-LJQANCHMSA-N -1 3 389.459 3.986 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823397540 606749953 /nfs/dbraw/zinc/74/99/53/606749953.db2.gz XCFZXXLGEPKFJT-CQSZACIVSA-N -1 3 376.750 3.643 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823397540 606749955 /nfs/dbraw/zinc/74/99/55/606749955.db2.gz XCFZXXLGEPKFJT-CQSZACIVSA-N -1 3 376.750 3.643 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1ccccc1-c1nnn[n-]1 ZINC000822959116 606762115 /nfs/dbraw/zinc/76/21/15/606762115.db2.gz SGEIFBAXOJISSI-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1ccccc1-c1nn[n-]n1 ZINC000822959116 606762117 /nfs/dbraw/zinc/76/21/17/606762117.db2.gz SGEIFBAXOJISSI-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)cc1 ZINC000822136099 606793153 /nfs/dbraw/zinc/79/31/53/606793153.db2.gz JBXQVNQNKUFUHA-DZGCQCFKSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)cc1 ZINC000822136099 606793155 /nfs/dbraw/zinc/79/31/55/606793155.db2.gz JBXQVNQNKUFUHA-DZGCQCFKSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCSC1 ZINC000822205670 606806586 /nfs/dbraw/zinc/80/65/86/606806586.db2.gz DGHWJPJSYHKLAB-MRXNPFEDSA-N -1 3 397.479 3.601 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCSC1 ZINC000822205670 606806587 /nfs/dbraw/zinc/80/65/87/606806587.db2.gz DGHWJPJSYHKLAB-MRXNPFEDSA-N -1 3 397.479 3.601 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231082 606807602 /nfs/dbraw/zinc/80/76/02/606807602.db2.gz ZGPCHFPFFKAIEB-JXFKEZNVSA-N -1 3 391.475 3.615 20 0 GHADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820876981 606812715 /nfs/dbraw/zinc/81/27/15/606812715.db2.gz XOAPPACBTAQPEY-MRXNPFEDSA-N -1 3 393.491 3.601 20 0 GHADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820876981 606812717 /nfs/dbraw/zinc/81/27/17/606812717.db2.gz XOAPPACBTAQPEY-MRXNPFEDSA-N -1 3 393.491 3.601 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822761196 606814009 /nfs/dbraw/zinc/81/40/09/606814009.db2.gz BOQSSABQFSMCJL-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822761196 606814011 /nfs/dbraw/zinc/81/40/11/606814011.db2.gz BOQSSABQFSMCJL-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM CCOc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nc1 ZINC000821422086 606828591 /nfs/dbraw/zinc/82/85/91/606828591.db2.gz MTAYVLKTEVSKKQ-UHFFFAOYSA-N -1 3 393.419 3.695 20 0 GHADHM CCOc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nc1 ZINC000821422086 606828592 /nfs/dbraw/zinc/82/85/92/606828592.db2.gz MTAYVLKTEVSKKQ-UHFFFAOYSA-N -1 3 393.419 3.695 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000822225176 606835105 /nfs/dbraw/zinc/83/51/05/606835105.db2.gz REECUQCRUIKLCF-UHFFFAOYSA-N -1 3 383.839 3.739 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000822225176 606835107 /nfs/dbraw/zinc/83/51/07/606835107.db2.gz REECUQCRUIKLCF-UHFFFAOYSA-N -1 3 383.839 3.739 20 0 GHADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821595475 606836252 /nfs/dbraw/zinc/83/62/52/606836252.db2.gz YETSUNHMZYBKGT-UHFFFAOYSA-N -1 3 392.341 3.527 20 0 GHADHM CN(CC(F)F)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821595475 606836254 /nfs/dbraw/zinc/83/62/54/606836254.db2.gz YETSUNHMZYBKGT-UHFFFAOYSA-N -1 3 392.341 3.527 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000675037254 606847484 /nfs/dbraw/zinc/84/74/84/606847484.db2.gz OFVPWVUNMTVKCU-UHFFFAOYSA-N -1 3 378.480 3.563 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000675037254 606847487 /nfs/dbraw/zinc/84/74/87/606847487.db2.gz OFVPWVUNMTVKCU-UHFFFAOYSA-N -1 3 378.480 3.563 20 0 GHADHM Cc1ccnc(-c2ccc(NCCCOc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822374500 606865232 /nfs/dbraw/zinc/86/52/32/606865232.db2.gz ZPLMYPLEHKMSEX-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM Cc1ccnc(-c2ccc(NCCCOc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822374500 606865234 /nfs/dbraw/zinc/86/52/34/606865234.db2.gz ZPLMYPLEHKMSEX-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821678403 606880935 /nfs/dbraw/zinc/88/09/35/606880935.db2.gz NKMVYJCGMJUSRD-LBPRGKRZSA-N -1 3 398.776 3.734 20 0 GHADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821678403 606880938 /nfs/dbraw/zinc/88/09/38/606880938.db2.gz NKMVYJCGMJUSRD-LBPRGKRZSA-N -1 3 398.776 3.734 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821858537 606896042 /nfs/dbraw/zinc/89/60/42/606896042.db2.gz GMOZFDUXYHRURY-SNVBAGLBSA-N -1 3 392.337 3.812 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821858537 606896043 /nfs/dbraw/zinc/89/60/43/606896043.db2.gz GMOZFDUXYHRURY-SNVBAGLBSA-N -1 3 392.337 3.812 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1NC1CC1 ZINC000822928044 606908710 /nfs/dbraw/zinc/90/87/10/606908710.db2.gz DAIUCGRHEOAFSZ-YHYXMXQVSA-N -1 3 380.839 3.746 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1NC1CC1 ZINC000822928044 606908712 /nfs/dbraw/zinc/90/87/12/606908712.db2.gz DAIUCGRHEOAFSZ-YHYXMXQVSA-N -1 3 380.839 3.746 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822242138 606930003 /nfs/dbraw/zinc/93/00/03/606930003.db2.gz BCCRLLZWVPVMOK-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822242138 606930005 /nfs/dbraw/zinc/93/00/05/606930005.db2.gz BCCRLLZWVPVMOK-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822941510 606930244 /nfs/dbraw/zinc/93/02/44/606930244.db2.gz YCVQMFLXJNOJEO-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822941510 606930246 /nfs/dbraw/zinc/93/02/46/606930246.db2.gz YCVQMFLXJNOJEO-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM CS/C=C/C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821956847 606957705 /nfs/dbraw/zinc/95/77/05/606957705.db2.gz ZAVKKSWNMXSRLM-MDZDMXLPSA-N -1 3 385.880 3.930 20 0 GHADHM CS/C=C/C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821956847 606957708 /nfs/dbraw/zinc/95/77/08/606957708.db2.gz ZAVKKSWNMXSRLM-MDZDMXLPSA-N -1 3 385.880 3.930 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000820875993 606960380 /nfs/dbraw/zinc/96/03/80/606960380.db2.gz JTQLIXBOETUWRP-GFCCVEGCSA-N -1 3 385.855 3.974 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000820875993 606960382 /nfs/dbraw/zinc/96/03/82/606960382.db2.gz JTQLIXBOETUWRP-GFCCVEGCSA-N -1 3 385.855 3.974 20 0 GHADHM CCCOc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821134481 606962096 /nfs/dbraw/zinc/96/20/96/606962096.db2.gz XDWSAVODEPDZBY-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCCOc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821134481 606962097 /nfs/dbraw/zinc/96/20/97/606962097.db2.gz XDWSAVODEPDZBY-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820248441 606962204 /nfs/dbraw/zinc/96/22/04/606962204.db2.gz HRFQFCTUBWHPDK-CYBMUJFWSA-N -1 3 385.855 3.588 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820248441 606962206 /nfs/dbraw/zinc/96/22/06/606962206.db2.gz HRFQFCTUBWHPDK-CYBMUJFWSA-N -1 3 385.855 3.588 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822035669 606963501 /nfs/dbraw/zinc/96/35/01/606963501.db2.gz YASSWUQIDZROBM-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822035669 606963503 /nfs/dbraw/zinc/96/35/03/606963503.db2.gz YASSWUQIDZROBM-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccnc(Oc2ccccc2)c1 ZINC000823427074 606999522 /nfs/dbraw/zinc/99/95/22/606999522.db2.gz UXXFVPRGTBMGJS-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccnc(Oc2ccccc2)c1 ZINC000823427074 606999523 /nfs/dbraw/zinc/99/95/23/606999523.db2.gz UXXFVPRGTBMGJS-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822418638 607008420 /nfs/dbraw/zinc/00/84/20/607008420.db2.gz AUHCITCOIONBIV-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822418638 607008421 /nfs/dbraw/zinc/00/84/21/607008421.db2.gz AUHCITCOIONBIV-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1SC(F)F ZINC000823070855 607012792 /nfs/dbraw/zinc/01/27/92/607012792.db2.gz RUANJHWHKPACDN-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1SC(F)F ZINC000823070855 607012793 /nfs/dbraw/zinc/01/27/93/607012793.db2.gz RUANJHWHKPACDN-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccco1 ZINC000822205825 607024908 /nfs/dbraw/zinc/02/49/08/607024908.db2.gz JQGPCIYAINELMS-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccco1 ZINC000822205825 607024909 /nfs/dbraw/zinc/02/49/09/607024909.db2.gz JQGPCIYAINELMS-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000822221131 607041680 /nfs/dbraw/zinc/04/16/80/607041680.db2.gz BUYZBYFLYOMYKY-KRWDZBQOSA-N -1 3 385.493 3.519 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000822221131 607041681 /nfs/dbraw/zinc/04/16/81/607041681.db2.gz BUYZBYFLYOMYKY-KRWDZBQOSA-N -1 3 385.493 3.519 20 0 GHADHM Clc1cc(Cl)c2c(c1)CN(c1ncc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000822568631 607043660 /nfs/dbraw/zinc/04/36/60/607043660.db2.gz UPGWVVXYYQAPCT-UHFFFAOYSA-N -1 3 381.654 3.785 20 0 GHADHM Clc1cc(Cl)c2c(c1)CN(c1ncc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000822568631 607043662 /nfs/dbraw/zinc/04/36/62/607043662.db2.gz UPGWVVXYYQAPCT-UHFFFAOYSA-N -1 3 381.654 3.785 20 0 GHADHM Cc1cccc2ncnc(Oc3ccc(Br)cc3-c3nnn[n-]3)c12 ZINC000822340886 607046203 /nfs/dbraw/zinc/04/62/03/607046203.db2.gz LOOSWTGQSPUFOB-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM Cc1cccc2ncnc(Oc3ccc(Br)cc3-c3nn[n-]n3)c12 ZINC000822340886 607046204 /nfs/dbraw/zinc/04/62/04/607046204.db2.gz LOOSWTGQSPUFOB-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000822655521 607075858 /nfs/dbraw/zinc/07/58/58/607075858.db2.gz MLMJSWRRNBRFCW-UHFFFAOYSA-N -1 3 396.357 3.528 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000822655521 607075859 /nfs/dbraw/zinc/07/58/59/607075859.db2.gz MLMJSWRRNBRFCW-UHFFFAOYSA-N -1 3 396.357 3.528 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000821305142 607099703 /nfs/dbraw/zinc/09/97/03/607099703.db2.gz YYCUTQWUEAWHPN-UHFFFAOYSA-N -1 3 375.436 3.649 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820768021 607115721 /nfs/dbraw/zinc/11/57/21/607115721.db2.gz LEFXVCWVFCVZNA-MEBBXXQBSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820768021 607115722 /nfs/dbraw/zinc/11/57/22/607115722.db2.gz LEFXVCWVFCVZNA-MEBBXXQBSA-N -1 3 395.410 3.913 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000823014636 607125507 /nfs/dbraw/zinc/12/55/07/607125507.db2.gz ROXRXALMXMVHMV-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM Cc1c(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cccc1C(F)(F)F ZINC000822116209 607145730 /nfs/dbraw/zinc/14/57/30/607145730.db2.gz OCYXCFRIHHYFMQ-NSHDSACASA-N -1 3 390.369 3.633 20 0 GHADHM Cc1c(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cccc1C(F)(F)F ZINC000822116209 607145732 /nfs/dbraw/zinc/14/57/32/607145732.db2.gz OCYXCFRIHHYFMQ-NSHDSACASA-N -1 3 390.369 3.633 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823150040 607169303 /nfs/dbraw/zinc/16/93/03/607169303.db2.gz KHDICUYRVVZZPH-ZDUSSCGKSA-N -1 3 383.402 3.841 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823150040 607169304 /nfs/dbraw/zinc/16/93/04/607169304.db2.gz KHDICUYRVVZZPH-ZDUSSCGKSA-N -1 3 383.402 3.841 20 0 GHADHM Fc1cccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1-c1nnn[n-]1 ZINC000822791690 607174640 /nfs/dbraw/zinc/17/46/40/607174640.db2.gz LJLBHIXFVNIUCW-GFCCVEGCSA-N -1 3 384.484 3.725 20 0 GHADHM Fc1cccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1-c1nn[n-]n1 ZINC000822791690 607174641 /nfs/dbraw/zinc/17/46/41/607174641.db2.gz LJLBHIXFVNIUCW-GFCCVEGCSA-N -1 3 384.484 3.725 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822935436 607190920 /nfs/dbraw/zinc/19/09/20/607190920.db2.gz KYSDTGJNCOPBSO-VURMDHGXSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822935436 607190921 /nfs/dbraw/zinc/19/09/21/607190921.db2.gz KYSDTGJNCOPBSO-VURMDHGXSA-N -1 3 376.807 3.720 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(F)c1 ZINC000820372659 607195464 /nfs/dbraw/zinc/19/54/64/607195464.db2.gz AWZHRZMBMLGOHS-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(F)c1 ZINC000820372659 607195465 /nfs/dbraw/zinc/19/54/65/607195465.db2.gz AWZHRZMBMLGOHS-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM CC1(C)C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c2ccccc2O1 ZINC000820590351 607196995 /nfs/dbraw/zinc/19/69/95/607196995.db2.gz SQTUMGUYOFJQHU-HNNXBMFYSA-N -1 3 398.854 3.944 20 0 GHADHM CC1(C)C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c2ccccc2O1 ZINC000820590351 607196996 /nfs/dbraw/zinc/19/69/96/607196996.db2.gz SQTUMGUYOFJQHU-HNNXBMFYSA-N -1 3 398.854 3.944 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000821153930 607199114 /nfs/dbraw/zinc/19/91/14/607199114.db2.gz HOUVSDBYJQUBGX-LLVKDONJSA-N -1 3 386.843 3.841 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000821153930 607199115 /nfs/dbraw/zinc/19/91/15/607199115.db2.gz HOUVSDBYJQUBGX-LLVKDONJSA-N -1 3 386.843 3.841 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCCOc2ccccc21 ZINC000823318891 607199872 /nfs/dbraw/zinc/19/98/72/607199872.db2.gz MZPURUJGXQMHOQ-CQSZACIVSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCCOc2ccccc21 ZINC000823318891 607199873 /nfs/dbraw/zinc/19/98/73/607199873.db2.gz MZPURUJGXQMHOQ-CQSZACIVSA-N -1 3 384.827 3.556 20 0 GHADHM COc1ccccc1CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000821890881 607200309 /nfs/dbraw/zinc/20/03/09/607200309.db2.gz QKORKGDBFQTNET-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1ccccc1CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000821890881 607200310 /nfs/dbraw/zinc/20/03/10/607200310.db2.gz QKORKGDBFQTNET-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820270174 607200498 /nfs/dbraw/zinc/20/04/98/607200498.db2.gz WYLVCDLDQBGPLF-SECBINFHSA-N -1 3 392.797 3.724 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820270174 607200499 /nfs/dbraw/zinc/20/04/99/607200499.db2.gz WYLVCDLDQBGPLF-SECBINFHSA-N -1 3 392.797 3.724 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1-c1ccc(F)cc1 ZINC000822596788 607241579 /nfs/dbraw/zinc/24/15/79/607241579.db2.gz SMQVEYAHLZOQOQ-UHFFFAOYSA-N -1 3 396.813 3.917 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1-c1ccc(F)cc1 ZINC000822596788 607241580 /nfs/dbraw/zinc/24/15/80/607241580.db2.gz SMQVEYAHLZOQOQ-UHFFFAOYSA-N -1 3 396.813 3.917 20 0 GHADHM O=C(C=Cc1ccc(Br)o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822930176 607242835 /nfs/dbraw/zinc/24/28/35/607242835.db2.gz YLGBXRIGRMEEOM-ZZXKWVIFSA-N -1 3 394.616 3.528 20 0 GHADHM O=C(C=Cc1ccc(Br)o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822930176 607242836 /nfs/dbraw/zinc/24/28/36/607242836.db2.gz YLGBXRIGRMEEOM-ZZXKWVIFSA-N -1 3 394.616 3.528 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000819832797 607246967 /nfs/dbraw/zinc/24/69/67/607246967.db2.gz BAZURMPBMJHJNK-UHFFFAOYSA-N -1 3 392.346 3.688 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000819832797 607246968 /nfs/dbraw/zinc/24/69/68/607246968.db2.gz BAZURMPBMJHJNK-UHFFFAOYSA-N -1 3 392.346 3.688 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825127820 607781584 /nfs/dbraw/zinc/78/15/84/607781584.db2.gz OORXNWUJXQTKTI-YOEHRIQHSA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825127820 607781585 /nfs/dbraw/zinc/78/15/85/607781585.db2.gz OORXNWUJXQTKTI-YOEHRIQHSA-N -1 3 396.520 3.798 20 0 GHADHM CCN(C(=O)c1ccc(C)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379798 607796763 /nfs/dbraw/zinc/79/67/63/607796763.db2.gz KZOJKHUBZINCCO-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(C)c(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379798 607796764 /nfs/dbraw/zinc/79/67/64/607796764.db2.gz KZOJKHUBZINCCO-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(Br)cc1F ZINC000826184067 607807864 /nfs/dbraw/zinc/80/78/64/607807864.db2.gz JURHUCFACLNRGI-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(Br)cc1F ZINC000826184067 607807865 /nfs/dbraw/zinc/80/78/65/607807865.db2.gz JURHUCFACLNRGI-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(F)c1 ZINC000824507379 607833176 /nfs/dbraw/zinc/83/31/76/607833176.db2.gz XBQURNDKMGARMR-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(F)c1 ZINC000824507379 607833177 /nfs/dbraw/zinc/83/31/77/607833177.db2.gz XBQURNDKMGARMR-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N(C1CC1)C1CCCC1 ZINC000826421029 607845149 /nfs/dbraw/zinc/84/51/49/607845149.db2.gz NYDJMUWBNYLCJZ-UHFFFAOYSA-N -1 3 377.901 3.546 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N(C1CC1)C1CCCC1 ZINC000826421029 607845150 /nfs/dbraw/zinc/84/51/50/607845150.db2.gz NYDJMUWBNYLCJZ-UHFFFAOYSA-N -1 3 377.901 3.546 20 0 GHADHM Cc1cnc(CCN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)s1 ZINC000826318563 607850501 /nfs/dbraw/zinc/85/05/01/607850501.db2.gz PANWBIRANRCPNI-UHFFFAOYSA-N -1 3 385.884 3.512 20 0 GHADHM Cc1cnc(CCN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)s1 ZINC000826318563 607850502 /nfs/dbraw/zinc/85/05/02/607850502.db2.gz PANWBIRANRCPNI-UHFFFAOYSA-N -1 3 385.884 3.512 20 0 GHADHM CC1(NC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCC1 ZINC000824832820 607856218 /nfs/dbraw/zinc/85/62/18/607856218.db2.gz WTRWSYBEAOWLIW-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM CC1(NC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCC1 ZINC000824832820 607856219 /nfs/dbraw/zinc/85/62/19/607856219.db2.gz WTRWSYBEAOWLIW-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cc1c(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000826233942 607861337 /nfs/dbraw/zinc/86/13/37/607861337.db2.gz ASJLZJIUVGIEJT-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1c(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000826233942 607861338 /nfs/dbraw/zinc/86/13/38/607861338.db2.gz ASJLZJIUVGIEJT-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM O[C@@H](COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1cccc(F)c1 ZINC000826504675 607878421 /nfs/dbraw/zinc/87/84/21/607878421.db2.gz BBKHRADFHTZKCP-FQEVSTJZSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@@H](COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccc(F)c1 ZINC000826504675 607878422 /nfs/dbraw/zinc/87/84/22/607878422.db2.gz BBKHRADFHTZKCP-FQEVSTJZSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826504070 607878492 /nfs/dbraw/zinc/87/84/92/607878492.db2.gz MNNDKZRZWUNTCH-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000826504070 607878493 /nfs/dbraw/zinc/87/84/93/607878493.db2.gz MNNDKZRZWUNTCH-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367029 607878929 /nfs/dbraw/zinc/87/89/29/607878929.db2.gz IFCVPMYBEQRQIB-JKSUJKDBSA-N -1 3 385.830 3.816 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367029 607878930 /nfs/dbraw/zinc/87/89/30/607878930.db2.gz IFCVPMYBEQRQIB-JKSUJKDBSA-N -1 3 385.830 3.816 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000824648643 607902762 /nfs/dbraw/zinc/90/27/62/607902762.db2.gz IAFYHUWFQIVOGM-FLESLCNUSA-N -1 3 395.410 3.796 20 0 GHADHM Cc1nc2ccccc2n1C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826329355 607904221 /nfs/dbraw/zinc/90/42/21/607904221.db2.gz ZKYMQQLLHMNURI-OAHLLOKOSA-N -1 3 393.882 3.847 20 0 GHADHM Cc1nc2ccccc2n1C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826329355 607904222 /nfs/dbraw/zinc/90/42/22/607904222.db2.gz ZKYMQQLLHMNURI-OAHLLOKOSA-N -1 3 393.882 3.847 20 0 GHADHM C[C@H]1Cc2cc(-c3ccc(CNCc4ccc(-c5nnn[n-]5)o4)cc3)ccc2O1 ZINC000825014316 607938741 /nfs/dbraw/zinc/93/87/41/607938741.db2.gz VPMWESZDUKBWKD-AWEZNQCLSA-N -1 3 387.443 3.740 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nnn[n-]2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826336709 607965664 /nfs/dbraw/zinc/96/56/64/607965664.db2.gz KDIGMTCISHIUFV-HIFRSBDPSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nn[n-]n2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826336709 607965665 /nfs/dbraw/zinc/96/56/65/607965665.db2.gz KDIGMTCISHIUFV-HIFRSBDPSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nnn[n-]2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826336708 607965734 /nfs/dbraw/zinc/96/57/34/607965734.db2.gz KDIGMTCISHIUFV-DZGCQCFKSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nn[n-]n2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826336708 607965735 /nfs/dbraw/zinc/96/57/35/607965735.db2.gz KDIGMTCISHIUFV-DZGCQCFKSA-N -1 3 399.524 3.689 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1nc(Cl)ccc1F ZINC000826468533 607965956 /nfs/dbraw/zinc/96/59/56/607965956.db2.gz VYHUNEKZHKURQI-UHFFFAOYSA-N -1 3 395.781 3.940 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1nc(Cl)ccc1F ZINC000826468533 607965957 /nfs/dbraw/zinc/96/59/57/607965957.db2.gz VYHUNEKZHKURQI-UHFFFAOYSA-N -1 3 395.781 3.940 20 0 GHADHM Cc1cc(N[C@H](c2cccnc2)C2CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270901 607968717 /nfs/dbraw/zinc/96/87/17/607968717.db2.gz SWYAEGNORZBYRQ-FQEVSTJZSA-N -1 3 396.458 3.934 20 0 GHADHM Cc1cc(N[C@H](c2cccnc2)C2CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270901 607968718 /nfs/dbraw/zinc/96/87/18/607968718.db2.gz SWYAEGNORZBYRQ-FQEVSTJZSA-N -1 3 396.458 3.934 20 0 GHADHM COc1ccc(COc2cc(Cl)c(C=O)cc2Cl)cc1-c1nnn[n-]1 ZINC000826206730 607973648 /nfs/dbraw/zinc/97/36/48/607973648.db2.gz JAPFDBTXVULBFY-UHFFFAOYSA-N -1 3 379.203 3.574 20 0 GHADHM COc1ccc(COc2cc(Cl)c(C=O)cc2Cl)cc1-c1nn[n-]n1 ZINC000826206730 607973649 /nfs/dbraw/zinc/97/36/49/607973649.db2.gz JAPFDBTXVULBFY-UHFFFAOYSA-N -1 3 379.203 3.574 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1-c1nnn[n-]1 ZINC000826207230 607983541 /nfs/dbraw/zinc/98/35/41/607983541.db2.gz GEAMFAKBPUNKIP-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000826207230 607983542 /nfs/dbraw/zinc/98/35/42/607983542.db2.gz GEAMFAKBPUNKIP-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826207674 607983748 /nfs/dbraw/zinc/98/37/48/607983748.db2.gz XUMFMRNTKLWMHW-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826207674 607983749 /nfs/dbraw/zinc/98/37/49/607983749.db2.gz XUMFMRNTKLWMHW-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CSCC(=O)Nc2ccccc2C(C)C)cc1-c1nnn[n-]1 ZINC000826207545 607984570 /nfs/dbraw/zinc/98/45/70/607984570.db2.gz SJJNKZFZOVDXSL-UHFFFAOYSA-N -1 3 397.504 3.871 20 0 GHADHM COc1ccc(CSCC(=O)Nc2ccccc2C(C)C)cc1-c1nn[n-]n1 ZINC000826207545 607984571 /nfs/dbraw/zinc/98/45/71/607984571.db2.gz SJJNKZFZOVDXSL-UHFFFAOYSA-N -1 3 397.504 3.871 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000825332392 607985387 /nfs/dbraw/zinc/98/53/87/607985387.db2.gz HJNGCQMOEAODKT-CQSZACIVSA-N -1 3 394.479 3.515 20 0 GHADHM O=C(c1ccccc1CCC(F)(F)F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474455 607996617 /nfs/dbraw/zinc/99/66/17/607996617.db2.gz QPCZWERHIQTXQZ-UHFFFAOYSA-N -1 3 387.365 3.565 20 0 GHADHM O=C(c1ccccc1CCC(F)(F)F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474455 607996618 /nfs/dbraw/zinc/99/66/18/607996618.db2.gz QPCZWERHIQTXQZ-UHFFFAOYSA-N -1 3 387.365 3.565 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCC12CCCCC2 ZINC000826406118 608010343 /nfs/dbraw/zinc/01/03/43/608010343.db2.gz IUKHFQXLLFBPMT-UHFFFAOYSA-N -1 3 383.496 3.741 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCC12CCCCC2 ZINC000826406118 608010344 /nfs/dbraw/zinc/01/03/44/608010344.db2.gz IUKHFQXLLFBPMT-UHFFFAOYSA-N -1 3 383.496 3.741 20 0 GHADHM C[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824429508 608016867 /nfs/dbraw/zinc/01/68/67/608016867.db2.gz YLMXWOHDWMIONZ-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM C[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824429508 608016868 /nfs/dbraw/zinc/01/68/68/608016868.db2.gz YLMXWOHDWMIONZ-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C1CC1 ZINC000825082702 608024329 /nfs/dbraw/zinc/02/43/29/608024329.db2.gz UWWBFPXSFZOHRF-JTQLQIEISA-N -1 3 385.859 3.817 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C1CC1 ZINC000825082702 608024330 /nfs/dbraw/zinc/02/43/30/608024330.db2.gz UWWBFPXSFZOHRF-JTQLQIEISA-N -1 3 385.859 3.817 20 0 GHADHM C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824521283 608026119 /nfs/dbraw/zinc/02/61/19/608026119.db2.gz JPJYGCUSHAMTBQ-ZDUSSCGKSA-N -1 3 390.472 3.837 20 0 GHADHM C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824521283 608026120 /nfs/dbraw/zinc/02/61/20/608026120.db2.gz JPJYGCUSHAMTBQ-ZDUSSCGKSA-N -1 3 390.472 3.837 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1C1CC1 ZINC000825081844 608029901 /nfs/dbraw/zinc/02/99/01/608029901.db2.gz NGGNMAMFPVWAGX-ZDUSSCGKSA-N -1 3 380.452 3.577 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1C1CC1 ZINC000825081844 608029902 /nfs/dbraw/zinc/02/99/02/608029902.db2.gz NGGNMAMFPVWAGX-ZDUSSCGKSA-N -1 3 380.452 3.577 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc[nH]1 ZINC000824506208 608031198 /nfs/dbraw/zinc/03/11/98/608031198.db2.gz MOGAAJSCNCHFBZ-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]1 ZINC000824506208 608031199 /nfs/dbraw/zinc/03/11/99/608031199.db2.gz MOGAAJSCNCHFBZ-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)nc1 ZINC000826318367 608033023 /nfs/dbraw/zinc/03/30/23/608033023.db2.gz FTPVUXMGHXKNMQ-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)nc1 ZINC000826318367 608033024 /nfs/dbraw/zinc/03/30/24/608033024.db2.gz FTPVUXMGHXKNMQ-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM O=C(CSCC(F)(F)F)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826419665 608050275 /nfs/dbraw/zinc/05/02/75/608050275.db2.gz GXPHKZQJELFSMO-UHFFFAOYSA-N -1 3 394.378 3.735 20 0 GHADHM O=C(CSCC(F)(F)F)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826419665 608050276 /nfs/dbraw/zinc/05/02/76/608050276.db2.gz GXPHKZQJELFSMO-UHFFFAOYSA-N -1 3 394.378 3.735 20 0 GHADHM Cc1cc2c(ncnc2SCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826272995 608055896 /nfs/dbraw/zinc/05/58/96/608055896.db2.gz KYWKZIPMKUPRSM-UHFFFAOYSA-N -1 3 384.490 3.741 20 0 GHADHM Cc1cc2c(ncnc2SCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826272995 608055897 /nfs/dbraw/zinc/05/58/97/608055897.db2.gz KYWKZIPMKUPRSM-UHFFFAOYSA-N -1 3 384.490 3.741 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000826262925 608057458 /nfs/dbraw/zinc/05/74/58/608057458.db2.gz DARMNYQPBALOLN-LBPRGKRZSA-N -1 3 379.449 3.782 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000826262925 608057459 /nfs/dbraw/zinc/05/74/59/608057459.db2.gz DARMNYQPBALOLN-LBPRGKRZSA-N -1 3 379.449 3.782 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000824147683 608060685 /nfs/dbraw/zinc/06/06/85/608060685.db2.gz GVRXBNOQEIOABV-UHFFFAOYSA-N -1 3 388.422 3.663 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCc1cc(F)ccc1F ZINC000824147683 608060686 /nfs/dbraw/zinc/06/06/86/608060686.db2.gz GVRXBNOQEIOABV-UHFFFAOYSA-N -1 3 388.422 3.663 20 0 GHADHM CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824347691 608072203 /nfs/dbraw/zinc/07/22/03/608072203.db2.gz KMYXRDMGWKCJIG-LJQANCHMSA-N -1 3 392.463 3.596 20 0 GHADHM CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824347691 608072204 /nfs/dbraw/zinc/07/22/04/608072204.db2.gz KMYXRDMGWKCJIG-LJQANCHMSA-N -1 3 392.463 3.596 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826236609 608074093 /nfs/dbraw/zinc/07/40/93/608074093.db2.gz UGLMVYFOSKJCQM-UHFFFAOYSA-N -1 3 392.797 3.771 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826236609 608074094 /nfs/dbraw/zinc/07/40/94/608074094.db2.gz UGLMVYFOSKJCQM-UHFFFAOYSA-N -1 3 392.797 3.771 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826350909 608077541 /nfs/dbraw/zinc/07/75/41/608077541.db2.gz PTWCVHFSFZSCBZ-AWEZNQCLSA-N -1 3 381.827 3.788 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826350909 608077542 /nfs/dbraw/zinc/07/75/42/608077542.db2.gz PTWCVHFSFZSCBZ-AWEZNQCLSA-N -1 3 381.827 3.788 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825075278 608085278 /nfs/dbraw/zinc/08/52/78/608085278.db2.gz OAWVJGNCDVJYST-YWZLYKJASA-N -1 3 391.475 3.594 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825075278 608085279 /nfs/dbraw/zinc/08/52/79/608085279.db2.gz OAWVJGNCDVJYST-YWZLYKJASA-N -1 3 391.475 3.594 20 0 GHADHM OCCCCCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826510017 608095233 /nfs/dbraw/zinc/09/52/33/608095233.db2.gz UOSYMBZXOYDYPV-UHFFFAOYSA-N -1 3 385.443 3.549 20 0 GHADHM OCCCCCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826510017 608095234 /nfs/dbraw/zinc/09/52/34/608095234.db2.gz UOSYMBZXOYDYPV-UHFFFAOYSA-N -1 3 385.443 3.549 20 0 GHADHM COc1cc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)ccn1 ZINC000826179915 608097150 /nfs/dbraw/zinc/09/71/50/608097150.db2.gz KQMZVLVAWGJSBF-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM COc1cc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)ccn1 ZINC000826179915 608097151 /nfs/dbraw/zinc/09/71/51/608097151.db2.gz KQMZVLVAWGJSBF-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1-c1nnn[n-]1 ZINC000826368695 608098953 /nfs/dbraw/zinc/09/89/53/608098953.db2.gz YWKJLACBBOTKFD-AGIUHOORSA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1-c1nn[n-]n1 ZINC000826368695 608098954 /nfs/dbraw/zinc/09/89/54/608098954.db2.gz YWKJLACBBOTKFD-AGIUHOORSA-N -1 3 387.456 3.677 20 0 GHADHM C[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824974667 608139486 /nfs/dbraw/zinc/13/94/86/608139486.db2.gz CWXKVDFXHKTEGS-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824974667 608139487 /nfs/dbraw/zinc/13/94/87/608139487.db2.gz CWXKVDFXHKTEGS-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM CC[C@H](C)CCCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825058895 608146062 /nfs/dbraw/zinc/14/60/62/608146062.db2.gz BDLCTLAJXAXMCJ-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CC[C@H](C)CCCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825058895 608146063 /nfs/dbraw/zinc/14/60/63/608146063.db2.gz BDLCTLAJXAXMCJ-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000824471441 608155711 /nfs/dbraw/zinc/15/57/11/608155711.db2.gz QMCUVUFBXWALFJ-OAHLLOKOSA-N -1 3 393.491 3.507 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000824471441 608155713 /nfs/dbraw/zinc/15/57/13/608155713.db2.gz QMCUVUFBXWALFJ-OAHLLOKOSA-N -1 3 393.491 3.507 20 0 GHADHM CCC[C@@H](C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000825225656 608159778 /nfs/dbraw/zinc/15/97/78/608159778.db2.gz VVCCYIUDGHCOFX-LLVKDONJSA-N -1 3 397.273 3.616 20 0 GHADHM CCC[C@@H](C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000825225656 608159779 /nfs/dbraw/zinc/15/97/79/608159779.db2.gz VVCCYIUDGHCOFX-LLVKDONJSA-N -1 3 397.273 3.616 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000825789265 608175661 /nfs/dbraw/zinc/17/56/61/608175661.db2.gz XZLKSNXGBCPJRA-GFCCVEGCSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000825789265 608175662 /nfs/dbraw/zinc/17/56/62/608175662.db2.gz XZLKSNXGBCPJRA-GFCCVEGCSA-N -1 3 393.426 3.508 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825224993 608180304 /nfs/dbraw/zinc/18/03/04/608180304.db2.gz JAGMFRJNYUABPY-UHFFFAOYSA-N -1 3 384.827 3.511 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825224993 608180305 /nfs/dbraw/zinc/18/03/05/608180305.db2.gz JAGMFRJNYUABPY-UHFFFAOYSA-N -1 3 384.827 3.511 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826332500 608186014 /nfs/dbraw/zinc/18/60/14/608186014.db2.gz WIKHBKZTUGHCGO-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826332500 608186015 /nfs/dbraw/zinc/18/60/15/608186015.db2.gz WIKHBKZTUGHCGO-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000824755264 608206824 /nfs/dbraw/zinc/20/68/24/608206824.db2.gz KSXMXJSDXNGMTD-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000824755264 608206827 /nfs/dbraw/zinc/20/68/27/608206827.db2.gz KSXMXJSDXNGMTD-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000824876671 608207010 /nfs/dbraw/zinc/20/70/10/608207010.db2.gz SYQPLTSQYVNJIK-IJLUTSLNSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000824876671 608207011 /nfs/dbraw/zinc/20/70/11/608207011.db2.gz SYQPLTSQYVNJIK-IJLUTSLNSA-N -1 3 379.917 3.505 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000826421032 608208054 /nfs/dbraw/zinc/20/80/54/608208054.db2.gz NZBWEOQMNCNXIE-JSGCOSHPSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000826421032 608208055 /nfs/dbraw/zinc/20/80/55/608208055.db2.gz NZBWEOQMNCNXIE-JSGCOSHPSA-N -1 3 391.928 3.793 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826188841 608223408 /nfs/dbraw/zinc/22/34/08/608223408.db2.gz INNZLCWFCJEHFS-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826188841 608223409 /nfs/dbraw/zinc/22/34/09/608223409.db2.gz INNZLCWFCJEHFS-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826188842 608223779 /nfs/dbraw/zinc/22/37/79/608223779.db2.gz INNZLCWFCJEHFS-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826188842 608223781 /nfs/dbraw/zinc/22/37/81/608223781.db2.gz INNZLCWFCJEHFS-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM Brc1ccccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823831729 608224175 /nfs/dbraw/zinc/22/41/75/608224175.db2.gz BDGGDSHEURRQJA-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1ccccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823831729 608224177 /nfs/dbraw/zinc/22/41/77/608224177.db2.gz BDGGDSHEURRQJA-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM COc1ccccc1C[C@@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826219664 608225461 /nfs/dbraw/zinc/22/54/61/608225461.db2.gz LURDZUHJQLBQSY-SFHVURJKSA-N -1 3 386.459 3.635 20 0 GHADHM COc1ccccc1C[C@@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826219664 608225463 /nfs/dbraw/zinc/22/54/63/608225463.db2.gz LURDZUHJQLBQSY-SFHVURJKSA-N -1 3 386.459 3.635 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825192028 608240638 /nfs/dbraw/zinc/24/06/38/608240638.db2.gz FVOIDZUIAVPBJY-DOMZBBRYSA-N -1 3 397.508 3.709 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825192028 608240640 /nfs/dbraw/zinc/24/06/40/608240640.db2.gz FVOIDZUIAVPBJY-DOMZBBRYSA-N -1 3 397.508 3.709 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826452545 608266525 /nfs/dbraw/zinc/26/65/25/608266525.db2.gz XNONWGUVIIFDKZ-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826452545 608266526 /nfs/dbraw/zinc/26/65/26/608266526.db2.gz XNONWGUVIIFDKZ-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM c1ccc(Oc2cc(CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)ccn2)cc1 ZINC000826523032 608275209 /nfs/dbraw/zinc/27/52/09/608275209.db2.gz YBVQKABNMFEFDM-UHFFFAOYSA-N -1 3 399.458 3.940 20 0 GHADHM c1ccc(Oc2cc(CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)ccn2)cc1 ZINC000826523032 608275212 /nfs/dbraw/zinc/27/52/12/608275212.db2.gz YBVQKABNMFEFDM-UHFFFAOYSA-N -1 3 399.458 3.940 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000826276620 608280453 /nfs/dbraw/zinc/28/04/53/608280453.db2.gz OHVNHQLUDKVLHO-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000826276620 608280455 /nfs/dbraw/zinc/28/04/55/608280455.db2.gz OHVNHQLUDKVLHO-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)sc1C ZINC000826324987 608280841 /nfs/dbraw/zinc/28/08/41/608280841.db2.gz KCWVHYSMUOHZLF-OAHLLOKOSA-N -1 3 395.536 3.598 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)sc1C ZINC000826324987 608280843 /nfs/dbraw/zinc/28/08/43/608280843.db2.gz KCWVHYSMUOHZLF-OAHLLOKOSA-N -1 3 395.536 3.598 20 0 GHADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc(-c2ccccc2)cs1 ZINC000824613892 608284085 /nfs/dbraw/zinc/28/40/85/608284085.db2.gz XTSNGQHGHSBKHR-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM COc1cccc(CNc2nc(C)ccc2-c2nnn[n-]2)c1OC1CCCC1 ZINC000826216334 608288104 /nfs/dbraw/zinc/28/81/04/608288104.db2.gz UAZPPRAAJXNHHY-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM COc1cccc(CNc2nc(C)ccc2-c2nn[n-]n2)c1OC1CCCC1 ZINC000826216334 608288106 /nfs/dbraw/zinc/28/81/06/608288106.db2.gz UAZPPRAAJXNHHY-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000826274245 608300290 /nfs/dbraw/zinc/30/02/90/608300290.db2.gz LBZQXNWWBSFIDG-AWEZNQCLSA-N -1 3 384.871 3.519 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000826274245 608300292 /nfs/dbraw/zinc/30/02/92/608300292.db2.gz LBZQXNWWBSFIDG-AWEZNQCLSA-N -1 3 384.871 3.519 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc(Cl)o1 ZINC000826441118 608305959 /nfs/dbraw/zinc/30/59/59/608305959.db2.gz ONLUDUSKMGXSQW-UHFFFAOYSA-N -1 3 379.807 3.710 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc(Cl)o1 ZINC000826441118 608305960 /nfs/dbraw/zinc/30/59/60/608305960.db2.gz ONLUDUSKMGXSQW-UHFFFAOYSA-N -1 3 379.807 3.710 20 0 GHADHM CCCCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)CC(F)(F)F ZINC000825284980 608311705 /nfs/dbraw/zinc/31/17/05/608311705.db2.gz FUYHUOMYYIVELP-UHFFFAOYSA-N -1 3 393.417 3.525 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C[C@@H]1C ZINC000824955910 608312982 /nfs/dbraw/zinc/31/29/82/608312982.db2.gz PHPGNALDGYQNGH-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C[C@@H]1C ZINC000824955910 608312988 /nfs/dbraw/zinc/31/29/88/608312988.db2.gz PHPGNALDGYQNGH-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM CCN(C(=O)[C@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361052 608342895 /nfs/dbraw/zinc/34/28/95/608342895.db2.gz AJNVHSNTXOYPEC-CYBMUJFWSA-N -1 3 385.855 3.588 20 0 GHADHM CCN(C(=O)[C@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361052 608342896 /nfs/dbraw/zinc/34/28/96/608342896.db2.gz AJNVHSNTXOYPEC-CYBMUJFWSA-N -1 3 385.855 3.588 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366792 608343679 /nfs/dbraw/zinc/34/36/79/608343679.db2.gz FTBPKYOZHJAPTG-UTCJRWHESA-N -1 3 389.246 3.635 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366792 608343681 /nfs/dbraw/zinc/34/36/81/608343681.db2.gz FTBPKYOZHJAPTG-UTCJRWHESA-N -1 3 389.246 3.635 20 0 GHADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362007 608344380 /nfs/dbraw/zinc/34/43/80/608344380.db2.gz IIYHGNSAEXDCBA-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362007 608344382 /nfs/dbraw/zinc/34/43/82/608344382.db2.gz IIYHGNSAEXDCBA-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367060 608344690 /nfs/dbraw/zinc/34/46/90/608344690.db2.gz IOANXKOWDMAFCA-SJORKVTESA-N -1 3 397.866 3.685 20 0 GHADHM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367060 608344691 /nfs/dbraw/zinc/34/46/91/608344691.db2.gz IOANXKOWDMAFCA-SJORKVTESA-N -1 3 397.866 3.685 20 0 GHADHM CC(C)N(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824284366 608357646 /nfs/dbraw/zinc/35/76/46/608357646.db2.gz GUIHVEKECKIIPB-UHFFFAOYSA-N -1 3 376.464 3.616 20 0 GHADHM CC(C)N(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824284366 608357648 /nfs/dbraw/zinc/35/76/48/608357648.db2.gz GUIHVEKECKIIPB-UHFFFAOYSA-N -1 3 376.464 3.616 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825735670 608358448 /nfs/dbraw/zinc/35/84/48/608358448.db2.gz SIBXKYVCKVAJAB-OAHLLOKOSA-N -1 3 393.495 3.505 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825735670 608358450 /nfs/dbraw/zinc/35/84/50/608358450.db2.gz SIBXKYVCKVAJAB-OAHLLOKOSA-N -1 3 393.495 3.505 20 0 GHADHM Fc1ccc(CNc2cc(F)c(Br)c(F)c2)cc1-c1nnn[n-]1 ZINC000826374985 608389313 /nfs/dbraw/zinc/38/93/13/608389313.db2.gz VHVDYAULEDZGGP-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(CNc2cc(F)c(Br)c(F)c2)cc1-c1nn[n-]n1 ZINC000826374985 608389315 /nfs/dbraw/zinc/38/93/15/608389315.db2.gz VHVDYAULEDZGGP-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000825789278 608394132 /nfs/dbraw/zinc/39/41/32/608394132.db2.gz YFMIEJWGGMTVBC-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000825789278 608394133 /nfs/dbraw/zinc/39/41/33/608394133.db2.gz YFMIEJWGGMTVBC-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc2ccccc21 ZINC000824633650 608426006 /nfs/dbraw/zinc/42/60/06/608426006.db2.gz PYLCKRNJSUWEJT-AWEZNQCLSA-N -1 3 397.442 3.921 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ncoc1-c1ccccc1Cl ZINC000826466845 608450657 /nfs/dbraw/zinc/45/06/57/608450657.db2.gz VZANQVYCEZQCFA-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ncoc1-c1ccccc1Cl ZINC000826466845 608450660 /nfs/dbraw/zinc/45/06/60/608450660.db2.gz VZANQVYCEZQCFA-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM COc1ccc(C)cc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826189711 608469144 /nfs/dbraw/zinc/46/91/44/608469144.db2.gz CAKCQDQWMGPKBF-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM COc1ccc(C)cc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826189711 608469145 /nfs/dbraw/zinc/46/91/45/608469145.db2.gz CAKCQDQWMGPKBF-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM Cc1c(F)cccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826240813 608472756 /nfs/dbraw/zinc/47/27/56/608472756.db2.gz HZGDGJGMXLOCLV-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1c(F)cccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826240813 608472757 /nfs/dbraw/zinc/47/27/57/608472757.db2.gz HZGDGJGMXLOCLV-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000826174119 608473815 /nfs/dbraw/zinc/47/38/15/608473815.db2.gz JEIDTXSVDMZBFS-UHFFFAOYSA-N -1 3 398.728 3.767 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000826174119 608473816 /nfs/dbraw/zinc/47/38/16/608473816.db2.gz JEIDTXSVDMZBFS-UHFFFAOYSA-N -1 3 398.728 3.767 20 0 GHADHM CSc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826230117 608481863 /nfs/dbraw/zinc/48/18/63/608481863.db2.gz FCFUSULYEZCHSQ-UHFFFAOYSA-N -1 3 377.473 3.518 20 0 GHADHM CSc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826230117 608481864 /nfs/dbraw/zinc/48/18/64/608481864.db2.gz FCFUSULYEZCHSQ-UHFFFAOYSA-N -1 3 377.473 3.518 20 0 GHADHM O=C(c1cc(F)cc(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470064 608482678 /nfs/dbraw/zinc/48/26/78/608482678.db2.gz ARGWJXOCCVWKEW-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1cc(F)cc(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470064 608482679 /nfs/dbraw/zinc/48/26/79/608482679.db2.gz ARGWJXOCCVWKEW-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM C[C@H](NCc1csc(Cc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627545 608483899 /nfs/dbraw/zinc/48/38/99/608483899.db2.gz YJOUKDYSOQBLGR-AWEZNQCLSA-N -1 3 376.489 3.765 20 0 GHADHM C[C@H](NCc1coc(-c2c(F)cccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625053 608488353 /nfs/dbraw/zinc/48/83/53/608488353.db2.gz FBLLRLDKJRKMGP-NSHDSACASA-N -1 3 382.374 3.651 20 0 GHADHM O=C(NCc1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826443342 608490834 /nfs/dbraw/zinc/49/08/34/608490834.db2.gz KTYHVUPLSONQPF-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826443342 608490836 /nfs/dbraw/zinc/49/08/36/608490836.db2.gz KTYHVUPLSONQPF-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Br ZINC000825435291 608532502 /nfs/dbraw/zinc/53/25/02/608532502.db2.gz SIRTWMPTJRGKLB-UHFFFAOYSA-N -1 3 378.299 3.713 20 0 GHADHM CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Br ZINC000825435291 608532503 /nfs/dbraw/zinc/53/25/03/608532503.db2.gz SIRTWMPTJRGKLB-UHFFFAOYSA-N -1 3 378.299 3.713 20 0 GHADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cc(F)ccc1F ZINC000825140606 608536424 /nfs/dbraw/zinc/53/64/24/608536424.db2.gz LAWAZYWCWFRJEU-OAHLLOKOSA-N -1 3 395.360 3.987 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826452270 608543457 /nfs/dbraw/zinc/54/34/57/608543457.db2.gz NGLUVTDWBCTKTN-AWEZNQCLSA-N -1 3 394.332 3.821 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826452270 608543459 /nfs/dbraw/zinc/54/34/59/608543459.db2.gz NGLUVTDWBCTKTN-AWEZNQCLSA-N -1 3 394.332 3.821 20 0 GHADHM CCc1ccnc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000825735327 608546099 /nfs/dbraw/zinc/54/60/99/608546099.db2.gz QEKIWFWTXYNHFX-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CCc1ccnc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000825735327 608546100 /nfs/dbraw/zinc/54/61/00/608546100.db2.gz QEKIWFWTXYNHFX-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826180238 608573595 /nfs/dbraw/zinc/57/35/95/608573595.db2.gz YZKNZMNLZRCKRV-UHFFFAOYSA-N -1 3 378.219 3.743 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826180238 608573596 /nfs/dbraw/zinc/57/35/96/608573596.db2.gz YZKNZMNLZRCKRV-UHFFFAOYSA-N -1 3 378.219 3.743 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455265 608574029 /nfs/dbraw/zinc/57/40/29/608574029.db2.gz HCJYKJRJBNYGDC-UHFFFAOYSA-N -1 3 397.822 3.814 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455265 608574030 /nfs/dbraw/zinc/57/40/30/608574030.db2.gz HCJYKJRJBNYGDC-UHFFFAOYSA-N -1 3 397.822 3.814 20 0 GHADHM CCCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc2C1 ZINC000825300998 608574990 /nfs/dbraw/zinc/57/49/90/608574990.db2.gz HAUAFFBZKJTAFC-QGZVFWFLSA-N -1 3 395.894 3.930 20 0 GHADHM CCCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC000825300998 608574993 /nfs/dbraw/zinc/57/49/93/608574993.db2.gz HAUAFFBZKJTAFC-QGZVFWFLSA-N -1 3 395.894 3.930 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454712 608575627 /nfs/dbraw/zinc/57/56/27/608575627.db2.gz IFUZHGJXBSOKKZ-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454712 608575629 /nfs/dbraw/zinc/57/56/29/608575629.db2.gz IFUZHGJXBSOKKZ-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccn(C(F)F)n1 ZINC000826455277 608583250 /nfs/dbraw/zinc/58/32/50/608583250.db2.gz HIMQVIRQJORDLN-UHFFFAOYSA-N -1 3 397.345 3.503 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824284581 608587555 /nfs/dbraw/zinc/58/75/55/608587555.db2.gz JQKHVRDVSJTWJP-ZDUSSCGKSA-N -1 3 380.452 3.515 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824284581 608587556 /nfs/dbraw/zinc/58/75/56/608587556.db2.gz JQKHVRDVSJTWJP-ZDUSSCGKSA-N -1 3 380.452 3.515 20 0 GHADHM CCc1ccc(NC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1C ZINC000825712233 608763948 /nfs/dbraw/zinc/76/39/48/608763948.db2.gz OFEDWMCISSACFY-UHFFFAOYSA-N -1 3 395.463 3.544 20 0 GHADHM CCc1ccc(NC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1C ZINC000825712233 608763950 /nfs/dbraw/zinc/76/39/50/608763950.db2.gz OFEDWMCISSACFY-UHFFFAOYSA-N -1 3 395.463 3.544 20 0 GHADHM O=C(NCCCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826437511 608814983 /nfs/dbraw/zinc/81/49/83/608814983.db2.gz OQIRPPLSHUZJJA-UHFFFAOYSA-N -1 3 396.398 3.701 20 0 GHADHM O=C(NCCCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826437511 608814986 /nfs/dbraw/zinc/81/49/86/608814986.db2.gz OQIRPPLSHUZJJA-UHFFFAOYSA-N -1 3 396.398 3.701 20 0 GHADHM Brc1ccoc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823832686 608855745 /nfs/dbraw/zinc/85/57/45/608855745.db2.gz SRNDFVCWYAYUTA-UHFFFAOYSA-N -1 3 386.253 3.512 20 0 GHADHM Brc1ccoc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823832686 608855749 /nfs/dbraw/zinc/85/57/49/608855749.db2.gz SRNDFVCWYAYUTA-UHFFFAOYSA-N -1 3 386.253 3.512 20 0 GHADHM Cc1cnc([C@@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826318228 608883422 /nfs/dbraw/zinc/88/34/22/608883422.db2.gz ZMJKRZWIIUCGQU-CQSZACIVSA-N -1 3 376.420 3.915 20 0 GHADHM Cc1cnc([C@@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826318228 608883426 /nfs/dbraw/zinc/88/34/26/608883426.db2.gz ZMJKRZWIIUCGQU-CQSZACIVSA-N -1 3 376.420 3.915 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826420379 609139815 /nfs/dbraw/zinc/13/98/15/609139815.db2.gz KCXPZXDHZLHVKM-MZEUMTGBSA-N -1 3 391.500 3.663 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826420379 609139816 /nfs/dbraw/zinc/13/98/16/609139816.db2.gz KCXPZXDHZLHVKM-MZEUMTGBSA-N -1 3 391.500 3.663 20 0 GHADHM COc1ccc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826201707 609151465 /nfs/dbraw/zinc/15/14/65/609151465.db2.gz BXLOWPCUPJTUMB-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826201707 609151467 /nfs/dbraw/zinc/15/14/67/609151467.db2.gz BXLOWPCUPJTUMB-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826269732 609158371 /nfs/dbraw/zinc/15/83/71/609158371.db2.gz VKINYZNJDNLZRA-OAQYLSRUSA-N -1 3 390.491 3.501 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826269732 609158373 /nfs/dbraw/zinc/15/83/73/609158373.db2.gz VKINYZNJDNLZRA-OAQYLSRUSA-N -1 3 390.491 3.501 20 0 GHADHM Fc1ccccc1-c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)n1C1CC1 ZINC000826378107 609166186 /nfs/dbraw/zinc/16/61/86/609166186.db2.gz VGAJQDIOBQDMFE-UHFFFAOYSA-N -1 3 393.451 3.892 20 0 GHADHM Fc1ccccc1-c1nnc(SCc2ccc(-c3nn[n-]n3)cc2)n1C1CC1 ZINC000826378107 609166188 /nfs/dbraw/zinc/16/61/88/609166188.db2.gz VGAJQDIOBQDMFE-UHFFFAOYSA-N -1 3 393.451 3.892 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826375907 609169906 /nfs/dbraw/zinc/16/99/06/609169906.db2.gz GTSKJPFAGQYZFL-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826375907 609169908 /nfs/dbraw/zinc/16/99/08/609169908.db2.gz GTSKJPFAGQYZFL-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826376265 609172270 /nfs/dbraw/zinc/17/22/70/609172270.db2.gz VSQVNKQAYKNXBI-GFCCVEGCSA-N -1 3 394.332 3.745 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826376265 609172271 /nfs/dbraw/zinc/17/22/71/609172271.db2.gz VSQVNKQAYKNXBI-GFCCVEGCSA-N -1 3 394.332 3.745 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Br)cc1F ZINC000825480692 609177639 /nfs/dbraw/zinc/17/76/39/609177639.db2.gz GSBJIAUGRCXWRU-UHFFFAOYSA-N -1 3 391.248 3.812 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(SC(=O)N(C)C)c1 ZINC000825481269 609178168 /nfs/dbraw/zinc/17/81/68/609178168.db2.gz VGKQRXVFDDBMTL-UHFFFAOYSA-N -1 3 397.508 3.684 20 0 GHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)nn1-c1cc(C)cc(C)c1 ZINC000826264555 609180470 /nfs/dbraw/zinc/18/04/70/609180470.db2.gz RXXZPFTXVZPSPY-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)nn1-c1cc(C)cc(C)c1 ZINC000826264555 609180471 /nfs/dbraw/zinc/18/04/71/609180471.db2.gz RXXZPFTXVZPSPY-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427264 609198581 /nfs/dbraw/zinc/19/85/81/609198581.db2.gz KZEAIAXXOQERHR-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427264 609198582 /nfs/dbraw/zinc/19/85/82/609198582.db2.gz KZEAIAXXOQERHR-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825146326 609242389 /nfs/dbraw/zinc/24/23/89/609242389.db2.gz CIJJGNCTBHGZCM-FQEVSTJZSA-N -1 3 392.507 3.699 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825146326 609242391 /nfs/dbraw/zinc/24/23/91/609242391.db2.gz CIJJGNCTBHGZCM-FQEVSTJZSA-N -1 3 392.507 3.699 20 0 GHADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000826264228 609242777 /nfs/dbraw/zinc/24/27/77/609242777.db2.gz GNWCKJSBBGEGLX-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000826264228 609242778 /nfs/dbraw/zinc/24/27/78/609242778.db2.gz GNWCKJSBBGEGLX-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM Clc1cc2c(cc1N[C@H]1CCCc3cc(-c4nnn[n-]4)ccc31)OCCO2 ZINC000826351767 609255158 /nfs/dbraw/zinc/25/51/58/609255158.db2.gz ZLYPXMPMDFPGDI-HNNXBMFYSA-N -1 3 383.839 3.781 20 0 GHADHM Clc1cc2c(cc1N[C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCO2 ZINC000826351767 609255159 /nfs/dbraw/zinc/25/51/59/609255159.db2.gz ZLYPXMPMDFPGDI-HNNXBMFYSA-N -1 3 383.839 3.781 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000826375297 609266215 /nfs/dbraw/zinc/26/62/15/609266215.db2.gz HPKGNOSHHJNREI-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000826375297 609266217 /nfs/dbraw/zinc/26/62/17/609266217.db2.gz HPKGNOSHHJNREI-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM COc1ccc(Oc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cn2)cc1 ZINC000826211515 609266473 /nfs/dbraw/zinc/26/64/73/609266473.db2.gz IATJVTPMWSNXLO-UHFFFAOYSA-N -1 3 380.433 3.736 20 0 GHADHM COc1ccc(Oc2ccc(NCc3cc(-c4nn[n-]n4)cs3)cn2)cc1 ZINC000826211515 609266475 /nfs/dbraw/zinc/26/64/75/609266475.db2.gz IATJVTPMWSNXLO-UHFFFAOYSA-N -1 3 380.433 3.736 20 0 GHADHM c1snnc1-c1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826512958 609275779 /nfs/dbraw/zinc/27/57/79/609275779.db2.gz VGLIBBKIPNJVMC-QGZVFWFLSA-N -1 3 375.461 3.875 20 0 GHADHM c1snnc1-c1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826512958 609275780 /nfs/dbraw/zinc/27/57/80/609275780.db2.gz VGLIBBKIPNJVMC-QGZVFWFLSA-N -1 3 375.461 3.875 20 0 GHADHM COCCCOc1ccccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826157076 609277106 /nfs/dbraw/zinc/27/71/06/609277106.db2.gz GTJLISCPAIPYDF-GOSISDBHSA-N -1 3 379.464 3.772 20 0 GHADHM COCCCOc1ccccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826157076 609277108 /nfs/dbraw/zinc/27/71/08/609277108.db2.gz GTJLISCPAIPYDF-GOSISDBHSA-N -1 3 379.464 3.772 20 0 GHADHM C[C@H]1CN(c2ccc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CCO1 ZINC000824991474 609279714 /nfs/dbraw/zinc/27/97/14/609279714.db2.gz BLAPLQYAYRBMSS-BTYIYWSLSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@H]1CN(c2ccc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)CCO1 ZINC000824991474 609279715 /nfs/dbraw/zinc/27/97/15/609279715.db2.gz BLAPLQYAYRBMSS-BTYIYWSLSA-N -1 3 390.491 3.581 20 0 GHADHM CCc1cc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)ccc1C ZINC000825700867 609314470 /nfs/dbraw/zinc/31/44/70/609314470.db2.gz XBSCRRGMTOPTJA-LBPRGKRZSA-N -1 3 396.520 3.727 20 0 GHADHM CCc1cc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)ccc1C ZINC000825700867 609314472 /nfs/dbraw/zinc/31/44/72/609314472.db2.gz XBSCRRGMTOPTJA-LBPRGKRZSA-N -1 3 396.520 3.727 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826155680 609316955 /nfs/dbraw/zinc/31/69/55/609316955.db2.gz YFXOXJPYFDNPBB-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826155680 609316957 /nfs/dbraw/zinc/31/69/57/609316957.db2.gz YFXOXJPYFDNPBB-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826155679 609317007 /nfs/dbraw/zinc/31/70/07/609317007.db2.gz YFXOXJPYFDNPBB-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826155679 609317008 /nfs/dbraw/zinc/31/70/08/609317008.db2.gz YFXOXJPYFDNPBB-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826227768 609324698 /nfs/dbraw/zinc/32/46/98/609324698.db2.gz XKZWEIUVTOGJTG-ZIAGYGMSSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826227768 609324700 /nfs/dbraw/zinc/32/47/00/609324700.db2.gz XKZWEIUVTOGJTG-ZIAGYGMSSA-N -1 3 395.488 3.673 20 0 GHADHM C[C@H](NCc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824625091 609324961 /nfs/dbraw/zinc/32/49/61/609324961.db2.gz FMCPXTGDDANRAC-JTQLQIEISA-N -1 3 381.333 3.755 20 0 GHADHM C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824616882 609325192 /nfs/dbraw/zinc/32/51/92/609325192.db2.gz AGTYHUJOXXCZNV-ZDUSSCGKSA-N -1 3 394.454 3.595 20 0 GHADHM CC(C)CC(=O)Nc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824229433 609328536 /nfs/dbraw/zinc/32/85/36/609328536.db2.gz QGQFHZNNAIVFDQ-CQSZACIVSA-N -1 3 396.470 3.841 20 0 GHADHM C[C@@H](NCc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613890 609331093 /nfs/dbraw/zinc/33/10/93/609331093.db2.gz XTESQQPGDQOITB-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613890 609331095 /nfs/dbraw/zinc/33/10/95/609331095.db2.gz XTESQQPGDQOITB-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM CCc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825717401 609343057 /nfs/dbraw/zinc/34/30/57/609343057.db2.gz JSYJEKNTNWCTQP-UHFFFAOYSA-N -1 3 377.427 3.581 20 0 GHADHM CCc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825717401 609343059 /nfs/dbraw/zinc/34/30/59/609343059.db2.gz JSYJEKNTNWCTQP-UHFFFAOYSA-N -1 3 377.427 3.581 20 0 GHADHM Cn1cc(CNc2ccc(C(F)(F)F)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361589 609343731 /nfs/dbraw/zinc/34/37/31/609343731.db2.gz DZOXZNXQRGOXGQ-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cn1cc(CNc2ccc(C(F)(F)F)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361589 609343733 /nfs/dbraw/zinc/34/37/33/609343733.db2.gz DZOXZNXQRGOXGQ-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM CC(C)Cn1ncc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1C(F)F ZINC000824284824 609348447 /nfs/dbraw/zinc/34/84/47/609348447.db2.gz NWJDQYPVKFGZJW-JTQLQIEISA-N -1 3 379.390 3.969 20 0 GHADHM CC(C)Cn1ncc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1C(F)F ZINC000824284824 609348449 /nfs/dbraw/zinc/34/84/49/609348449.db2.gz NWJDQYPVKFGZJW-JTQLQIEISA-N -1 3 379.390 3.969 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1Br)[C@H]1CCc2ccccc21 ZINC000825961863 609356785 /nfs/dbraw/zinc/35/67/85/609356785.db2.gz OABFPHMWIJJLLH-KRWDZBQOSA-N -1 3 384.281 3.749 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249851 609374778 /nfs/dbraw/zinc/37/47/78/609374778.db2.gz VSQQYTBTHYWEGT-VQIMIIECSA-N -1 3 385.512 3.697 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249851 609374781 /nfs/dbraw/zinc/37/47/81/609374781.db2.gz VSQQYTBTHYWEGT-VQIMIIECSA-N -1 3 385.512 3.697 20 0 GHADHM O=C(NC[C@H]1Cc2ccccc21)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435813 609377563 /nfs/dbraw/zinc/37/75/63/609377563.db2.gz YEZYSJGTGDEOAN-MRXNPFEDSA-N -1 3 397.438 3.729 20 0 GHADHM O=C(NC[C@H]1Cc2ccccc21)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826435813 609377566 /nfs/dbraw/zinc/37/75/66/609377566.db2.gz YEZYSJGTGDEOAN-MRXNPFEDSA-N -1 3 397.438 3.729 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@@H]1F ZINC000824946344 609380821 /nfs/dbraw/zinc/38/08/21/609380821.db2.gz ISLIAIALCWOYFO-ACJLOTCBSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@@H]1F ZINC000824946344 609380823 /nfs/dbraw/zinc/38/08/23/609380823.db2.gz ISLIAIALCWOYFO-ACJLOTCBSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824883632 609388347 /nfs/dbraw/zinc/38/83/47/609388347.db2.gz IECAFOARBUDOPS-GJZGRUSLSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824883632 609388349 /nfs/dbraw/zinc/38/83/49/609388349.db2.gz IECAFOARBUDOPS-GJZGRUSLSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC[C@@H]1C ZINC000824953167 609394752 /nfs/dbraw/zinc/39/47/52/609394752.db2.gz CKDVBKVVEXOOKI-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC[C@@H]1C ZINC000824953167 609394754 /nfs/dbraw/zinc/39/47/54/609394754.db2.gz CKDVBKVVEXOOKI-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM COc1ccc(C)cc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826189756 609445707 /nfs/dbraw/zinc/44/57/07/609445707.db2.gz DLFXUTGUKBYYOI-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(C)cc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826189756 609445709 /nfs/dbraw/zinc/44/57/09/609445709.db2.gz DLFXUTGUKBYYOI-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCOCC1 ZINC000825164525 609448260 /nfs/dbraw/zinc/44/82/60/609448260.db2.gz CAGLEWOWKPLRLR-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCOCC1 ZINC000825164525 609448261 /nfs/dbraw/zinc/44/82/61/609448261.db2.gz CAGLEWOWKPLRLR-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CC(C)(C)c1noc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000824141958 609452179 /nfs/dbraw/zinc/45/21/79/609452179.db2.gz PJPGMDNPCJLTQO-UHFFFAOYSA-N -1 3 384.387 3.858 20 0 GHADHM CC(C)(C)c1noc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000824141958 609452182 /nfs/dbraw/zinc/45/21/82/609452182.db2.gz PJPGMDNPCJLTQO-UHFFFAOYSA-N -1 3 384.387 3.858 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000824119678 609454521 /nfs/dbraw/zinc/45/45/21/609454521.db2.gz OBBXZYFUFFZENI-UHFFFAOYSA-N -1 3 388.378 3.966 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000824119678 609454524 /nfs/dbraw/zinc/45/45/24/609454524.db2.gz OBBXZYFUFFZENI-UHFFFAOYSA-N -1 3 388.378 3.966 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826457163 609477591 /nfs/dbraw/zinc/47/75/91/609477591.db2.gz OASIRJSYCSLUGQ-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826457163 609477592 /nfs/dbraw/zinc/47/75/92/609477592.db2.gz OASIRJSYCSLUGQ-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000826186893 609482245 /nfs/dbraw/zinc/48/22/45/609482245.db2.gz OHIPHEHMJJHUPZ-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000826186893 609482246 /nfs/dbraw/zinc/48/22/46/609482246.db2.gz OHIPHEHMJJHUPZ-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824010683 609484766 /nfs/dbraw/zinc/48/47/66/609484766.db2.gz QAEPKUMQQGEAMW-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824010683 609484767 /nfs/dbraw/zinc/48/47/67/609484767.db2.gz QAEPKUMQQGEAMW-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCC[C@H]1C ZINC000826272034 609488208 /nfs/dbraw/zinc/48/82/08/609488208.db2.gz RNZGIZUTFUDAEV-DOMZBBRYSA-N -1 3 378.436 3.737 20 0 GHADHM COC(=O)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000826118242 609490195 /nfs/dbraw/zinc/49/01/95/609490195.db2.gz YPXXKOKKFGJUKF-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000826118242 609490197 /nfs/dbraw/zinc/49/01/97/609490197.db2.gz YPXXKOKKFGJUKF-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826460622 609509151 /nfs/dbraw/zinc/50/91/51/609509151.db2.gz KZZQVSQFMOCWQC-CQSZACIVSA-N -1 3 395.488 3.563 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826460622 609509152 /nfs/dbraw/zinc/50/91/52/609509152.db2.gz KZZQVSQFMOCWQC-CQSZACIVSA-N -1 3 395.488 3.563 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(C(C)C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260381 609511302 /nfs/dbraw/zinc/51/13/02/609511302.db2.gz LHQRKYONRBXRNP-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(C(C)C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260381 609511305 /nfs/dbraw/zinc/51/13/05/609511305.db2.gz LHQRKYONRBXRNP-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000826238386 609528962 /nfs/dbraw/zinc/52/89/62/609528962.db2.gz FGGDNJTUEQNJLC-VIFPVBQESA-N -1 3 380.786 3.998 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826238386 609528964 /nfs/dbraw/zinc/52/89/64/609528964.db2.gz FGGDNJTUEQNJLC-VIFPVBQESA-N -1 3 380.786 3.998 20 0 GHADHM Cc1cc(C(=O)N2CC[C@@H](C)c3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257963 609530356 /nfs/dbraw/zinc/53/03/56/609530356.db2.gz VEOAYWJCLNDUTN-CQSZACIVSA-N -1 3 399.458 3.515 20 0 GHADHM Cc1cc(C(=O)N2CC[C@@H](C)c3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257963 609530359 /nfs/dbraw/zinc/53/03/59/609530359.db2.gz VEOAYWJCLNDUTN-CQSZACIVSA-N -1 3 399.458 3.515 20 0 GHADHM Cc1ccnc(NCc2ccc(Oc3ccc(F)cc3)nc2)c1-c1nnn[n-]1 ZINC000826314234 609536735 /nfs/dbraw/zinc/53/67/35/609536735.db2.gz MFSUXJHIZDSZMJ-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccnc(NCc2ccc(Oc3ccc(F)cc3)nc2)c1-c1nn[n-]n1 ZINC000826314234 609536736 /nfs/dbraw/zinc/53/67/36/609536736.db2.gz MFSUXJHIZDSZMJ-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM COc1cc(CN(C)c2ncc(Cl)c(C)c2-c2nnn[n-]2)ccc1SC ZINC000826179199 609541977 /nfs/dbraw/zinc/54/19/77/609541977.db2.gz DIWJDXBTEXXONL-UHFFFAOYSA-N -1 3 390.900 3.590 20 0 GHADHM COc1cc(CN(C)c2ncc(Cl)c(C)c2-c2nn[n-]n2)ccc1SC ZINC000826179199 609541980 /nfs/dbraw/zinc/54/19/80/609541980.db2.gz DIWJDXBTEXXONL-UHFFFAOYSA-N -1 3 390.900 3.590 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@H](CSc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237971 609564178 /nfs/dbraw/zinc/56/41/78/609564178.db2.gz RUNNAYBFXADXRD-ZDUSSCGKSA-N -1 3 386.912 3.842 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@H](CSc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237971 609564180 /nfs/dbraw/zinc/56/41/80/609564180.db2.gz RUNNAYBFXADXRD-ZDUSSCGKSA-N -1 3 386.912 3.842 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(-n3cccn3)cc2)c1-c1nnn[n-]1 ZINC000826239074 609566491 /nfs/dbraw/zinc/56/64/91/609566491.db2.gz XKZMZZQWMRFSNJ-GFCCVEGCSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826239074 609566492 /nfs/dbraw/zinc/56/64/92/609566492.db2.gz XKZMZZQWMRFSNJ-GFCCVEGCSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826239355 609575529 /nfs/dbraw/zinc/57/55/29/609575529.db2.gz DXVBDGZIVNMGOE-LBPRGKRZSA-N -1 3 386.868 3.584 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826239355 609575531 /nfs/dbraw/zinc/57/55/31/609575531.db2.gz DXVBDGZIVNMGOE-LBPRGKRZSA-N -1 3 386.868 3.584 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826265150 609577391 /nfs/dbraw/zinc/57/73/91/609577391.db2.gz NMQXEPNFGBEMHW-UHFFFAOYSA-N -1 3 394.870 3.638 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826265150 609577393 /nfs/dbraw/zinc/57/73/93/609577393.db2.gz NMQXEPNFGBEMHW-UHFFFAOYSA-N -1 3 394.870 3.638 20 0 GHADHM COc1cccc([C@@H]2C[C@H](C)CN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826215391 609592847 /nfs/dbraw/zinc/59/28/47/609592847.db2.gz NMTJYLHDDBPURQ-ZBEGNZNMSA-N -1 3 384.871 3.820 20 0 GHADHM COc1cccc([C@@H]2C[C@H](C)CN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826215391 609592850 /nfs/dbraw/zinc/59/28/50/609592850.db2.gz NMTJYLHDDBPURQ-ZBEGNZNMSA-N -1 3 384.871 3.820 20 0 GHADHM COc1cccc([C@H]2C[C@@H](C)CN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826215388 609592863 /nfs/dbraw/zinc/59/28/63/609592863.db2.gz NMTJYLHDDBPURQ-BDJLRTHQSA-N -1 3 384.871 3.820 20 0 GHADHM COc1cccc([C@H]2C[C@@H](C)CN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826215388 609592866 /nfs/dbraw/zinc/59/28/66/609592866.db2.gz NMTJYLHDDBPURQ-BDJLRTHQSA-N -1 3 384.871 3.820 20 0 GHADHM C[C@H]1C[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC(C)(C)C1 ZINC000824868860 609604578 /nfs/dbraw/zinc/60/45/78/609604578.db2.gz XCIXPEHOKCUQRL-KXBFYZLASA-N -1 3 379.508 3.945 20 0 GHADHM C[C@H]1C[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824868860 609604580 /nfs/dbraw/zinc/60/45/80/609604580.db2.gz XCIXPEHOKCUQRL-KXBFYZLASA-N -1 3 379.508 3.945 20 0 GHADHM Cc1nccc([C@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)n1 ZINC000613211943 837408291 /nfs/dbraw/zinc/40/82/91/837408291.db2.gz ORLVZFVQEKMEIE-AWEZNQCLSA-N -1 3 375.432 3.560 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CCC[N-]C(=O)C(F)(F)F ZINC000180714154 837491967 /nfs/dbraw/zinc/49/19/67/837491967.db2.gz WECKRXQNONPLQI-ZDUSSCGKSA-N -1 3 394.869 3.706 20 0 GHADHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000655651494 837534624 /nfs/dbraw/zinc/53/46/24/837534624.db2.gz MQWWKLHXVOLCFE-SNVBAGLBSA-N -1 3 378.803 3.663 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000173215291 837586310 /nfs/dbraw/zinc/58/63/10/837586310.db2.gz RVJXQOWFQJJUHN-UHFFFAOYSA-N -1 3 399.397 3.825 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[n-]1 ZINC000431798149 837592399 /nfs/dbraw/zinc/59/23/99/837592399.db2.gz YQOWKSKDWREQHS-UHFFFAOYSA-N -1 3 376.718 3.648 20 0 GHADHM O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318211 837610303 /nfs/dbraw/zinc/61/03/03/837610303.db2.gz QEAMUDAWTPLZIX-UHFFFAOYSA-N -1 3 398.463 3.571 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(C)C)c2cccs2)c1 ZINC000063185867 834348850 /nfs/dbraw/zinc/34/88/50/834348850.db2.gz OCHZGWODIGFSCH-AWEZNQCLSA-N -1 3 385.482 3.740 20 0 GHADHM CC(C)Oc1cc(Br)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278287325 834525808 /nfs/dbraw/zinc/52/58/08/834525808.db2.gz ZNXOJWRXWAFZFW-LLVKDONJSA-N -1 3 395.175 3.614 20 0 GHADHM C[S@](=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000175279708 834541453 /nfs/dbraw/zinc/54/14/53/834541453.db2.gz DOYHODVJBFJQMI-MHZLTWQESA-N -1 3 379.481 3.650 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)cc1Cl ZINC000169892734 834551253 /nfs/dbraw/zinc/55/12/53/834551253.db2.gz QRXFBOGDDDJPTJ-UHFFFAOYSA-N -1 3 393.270 3.734 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170810881 834638416 /nfs/dbraw/zinc/63/84/16/834638416.db2.gz FBBMQBBKEHAKRI-QUCCMNQESA-N -1 3 380.488 3.524 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1ccccc1C(F)(F)F ZINC000654877902 834719579 /nfs/dbraw/zinc/71/95/79/834719579.db2.gz PJXLKEGVPGLMGZ-LBPRGKRZSA-N -1 3 395.381 3.666 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000148168636 834841932 /nfs/dbraw/zinc/84/19/32/834841932.db2.gz VIUUBULGFUJULQ-FQEVSTJZSA-N -1 3 385.423 3.676 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000135969562 834970181 /nfs/dbraw/zinc/97/01/81/834970181.db2.gz JUCKLHRLXPGDQR-UHFFFAOYSA-N -1 3 393.679 3.807 20 0 GHADHM CCc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cnn1C(CC)CC ZINC000784931235 834993414 /nfs/dbraw/zinc/99/34/14/834993414.db2.gz KHOWHQXMRRGLKI-UHFFFAOYSA-N -1 3 384.436 3.919 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)o1 ZINC000511290038 835033201 /nfs/dbraw/zinc/03/32/01/835033201.db2.gz POEIWJMSOTWKMV-OAHLLOKOSA-N -1 3 375.368 3.916 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]2CCC[C@H]21 ZINC000583832368 835107548 /nfs/dbraw/zinc/10/75/48/835107548.db2.gz AECHBPAIXUAKDJ-CJNGLKHVSA-N -1 3 389.293 3.941 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000583834642 835116269 /nfs/dbraw/zinc/11/62/69/835116269.db2.gz RTYUGWHBTROMEY-UHFFFAOYSA-N -1 3 397.456 3.657 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000433346615 844031303 /nfs/dbraw/zinc/03/13/03/844031303.db2.gz GKPPICZFSJQUNU-UHFFFAOYSA-N -1 3 388.708 3.944 20 0 GHADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000685608066 835215031 /nfs/dbraw/zinc/21/50/31/835215031.db2.gz CXLNBYPVIDCGCD-UHFFFAOYSA-N -1 3 387.530 3.770 20 0 GHADHM COc1cc2ncc(C(=O)Nc3cccc(COC(C)C)c3)c([O-])c2c(OC)c1 ZINC000624630865 835239702 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C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656056146 838608256 /nfs/dbraw/zinc/60/82/56/838608256.db2.gz CVVKHNYDIRIAPK-DRABBMOASA-N -1 3 381.885 3.666 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000659795820 838681947 /nfs/dbraw/zinc/68/19/47/838681947.db2.gz DGLZECPSIQQDTD-AWEZNQCLSA-N -1 3 377.428 3.936 20 0 GHADHM C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659800191 838684585 /nfs/dbraw/zinc/68/45/85/838684585.db2.gz UPYHASJEQXJEPX-AFBRZQFHSA-N -1 3 389.883 3.952 20 0 GHADHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549405465 838692165 /nfs/dbraw/zinc/69/21/65/838692165.db2.gz SNQFNGOMKUEVIB-HNNXBMFYSA-N -1 3 391.480 3.802 20 0 GHADHM C[C@@H]1SCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C ZINC000183850539 838719886 /nfs/dbraw/zinc/71/98/86/838719886.db2.gz PJBPPKVBHBSNQM-FTRWYGJKSA-N -1 3 398.528 3.606 20 0 GHADHM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C)n1 ZINC000182591054 838754227 /nfs/dbraw/zinc/75/42/27/838754227.db2.gz FTMKYYDFSUNZML-NRFANRHFSA-N -1 3 389.455 3.904 20 0 GHADHM Cc1nc(CSc2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)cc2)cs1 ZINC000893212695 838926764 /nfs/dbraw/zinc/92/67/64/838926764.db2.gz FXXAGVYYHNTZMI-UHFFFAOYSA-N -1 3 398.513 3.832 20 0 GHADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000416323994 838963287 /nfs/dbraw/zinc/96/32/87/838963287.db2.gz VYHYXWOFDUHUBG-QLFBSQMISA-N -1 3 390.480 3.743 20 0 GHADHM C[C@H](c1cccnc1)N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000549183006 839191968 /nfs/dbraw/zinc/19/19/68/839191968.db2.gz HBYGZQYOOPRIFP-CQSZACIVSA-N -1 3 396.878 3.508 20 0 GHADHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000128079050 839214483 /nfs/dbraw/zinc/21/44/83/839214483.db2.gz IHSYPYQHSMUOHD-UHFFFAOYSA-N -1 3 377.408 3.520 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000313836216 839266708 /nfs/dbraw/zinc/26/67/08/839266708.db2.gz DAHPKSADFPUYCN-JTQLQIEISA-N -1 3 392.702 3.995 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC(C)(C)C)cc2)c(C)o1 ZINC000175951464 839632436 /nfs/dbraw/zinc/63/24/36/839632436.db2.gz OUMVJLMYVOPJBH-UHFFFAOYSA-N -1 3 382.507 3.639 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(Oc4cccnn4)c3)c[n-]c12 ZINC000580535789 839763617 /nfs/dbraw/zinc/76/36/17/839763617.db2.gz YRLRKEPDIXUTGU-UHFFFAOYSA-N -1 3 390.374 3.810 20 0 GHADHM C[C@@H]1CC(CCNC(=O)NCc2ccc([O-])c(Br)c2)C[C@@H](C)O1 ZINC000549289218 839836350 /nfs/dbraw/zinc/83/63/50/839836350.db2.gz YTOROQFMPACKRC-VXGBXAGGSA-N -1 3 385.302 3.548 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000544920312 840030566 /nfs/dbraw/zinc/03/05/66/840030566.db2.gz KGAAPOAHSYPERM-UHFFFAOYSA-N -1 3 391.424 3.605 20 0 GHADHM O=C(NCc1cccs1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469061518 844506328 /nfs/dbraw/zinc/50/63/28/844506328.db2.gz VVKTYZIIHAIOSE-UHFFFAOYSA-N -1 3 397.681 3.936 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(Cl)n1 ZINC000193980962 840219197 /nfs/dbraw/zinc/21/91/97/840219197.db2.gz HWVQHGWPNRCDDF-LBPRGKRZSA-N -1 3 378.803 3.668 20 0 GHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000471621385 840265992 /nfs/dbraw/zinc/26/59/92/840265992.db2.gz SFQCJLGNCOTJSW-HNNXBMFYSA-N -1 3 390.443 3.600 20 0 GHADHM CC(C)(C)n1cc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000050533168 840308080 /nfs/dbraw/zinc/30/80/80/840308080.db2.gz RZNKEUMIMLYGGH-UHFFFAOYSA-N -1 3 397.447 3.969 20 0 GHADHM O=C(c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1Cl)N1CCCCC1 ZINC000417014606 840370076 /nfs/dbraw/zinc/37/00/76/840370076.db2.gz DNTKOLFQJRGDPW-UHFFFAOYSA-N -1 3 386.883 3.951 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1noc(Cc2ccccc2)n1 ZINC000431922623 840480977 /nfs/dbraw/zinc/48/09/77/840480977.db2.gz FQIMIPIMRMHCLE-HNNXBMFYSA-N -1 3 399.516 3.997 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000584720352 840665304 /nfs/dbraw/zinc/66/53/04/840665304.db2.gz ZSCVJVSDLOLQJE-ZWDAVXSWSA-N -1 3 398.478 3.559 20 0 GHADHM Cc1c([O-])ccc2c(CNc3cccc(CN4CCCC4=O)c3)cc(=O)oc12 ZINC000028387262 844568790 /nfs/dbraw/zinc/56/87/90/844568790.db2.gz WBXWLVAYVIHYSB-UHFFFAOYSA-N -1 3 378.428 3.542 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccccc2Oc2cccnc2)cc1 ZINC000728318791 840788100 /nfs/dbraw/zinc/78/81/00/840788100.db2.gz NWAVGCAFUITJRO-UHFFFAOYSA-N -1 3 398.440 3.602 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1)C(F)(F)F ZINC000933098552 840823050 /nfs/dbraw/zinc/82/30/50/840823050.db2.gz GPTWAVDMTCCUIU-SNVBAGLBSA-N -1 3 379.329 3.547 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNCCc1nc(C)c(C(=O)[O-])s1 ZINC000277044039 844583380 /nfs/dbraw/zinc/58/33/80/844583380.db2.gz RCXNNFPHYSKLJU-UHFFFAOYSA-N -1 3 375.277 3.797 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000279969681 844585601 /nfs/dbraw/zinc/58/56/01/844585601.db2.gz OIWWXVONOIJFHK-UHFFFAOYSA-N -1 3 383.448 3.593 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000026545295 841000821 /nfs/dbraw/zinc/00/08/21/841000821.db2.gz IUZNPOZAHVFONM-UHFFFAOYSA-N -1 3 389.445 3.827 20 0 GHADHM Cc1nn(C)c2ncc(CN[C@H](CC(=O)[O-])c3cccc(C(F)(F)F)c3)cc12 ZINC000417577730 841020846 /nfs/dbraw/zinc/02/08/46/841020846.db2.gz JYHZWEYDTAIABF-MRXNPFEDSA-N -1 3 392.381 3.601 20 0 GHADHM COc1ccc(CN[C@H](CSCC=C(C)C)C(=O)[O-])c(Br)c1 ZINC000417622946 841061699 /nfs/dbraw/zinc/06/16/99/841061699.db2.gz IFLLZRLGQPPDJT-OAHLLOKOSA-N -1 3 388.327 3.700 20 0 GHADHM COc1cc(C[NH2+][C@H]2CCCC[C@H]2CCC(=O)[O-])cc(Br)c1[O-] ZINC000417631320 841070569 /nfs/dbraw/zinc/07/05/69/841070569.db2.gz SAWOSWOPMUECRR-JSGCOSHPSA-N -1 3 386.286 3.677 20 0 GHADHM CC(C)(C)c1nc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cs1 ZINC000417635719 841074422 /nfs/dbraw/zinc/07/44/22/841074422.db2.gz WTDAJDWAVRUXJS-AWEZNQCLSA-N -1 3 397.338 3.989 20 0 GHADHM CCOC[C@@H](NCc1ccc(Br)cc1SC(C)C)C(=O)[O-] ZINC000417645984 841080070 /nfs/dbraw/zinc/08/00/70/841080070.db2.gz DYVRXEWSEFVHQI-CYBMUJFWSA-N -1 3 376.316 3.529 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000651606171 841116184 /nfs/dbraw/zinc/11/61/84/841116184.db2.gz AXZLEGYXZCTTTG-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000584875506 841146597 /nfs/dbraw/zinc/14/65/97/841146597.db2.gz ULWDZXCJBDKJME-AWEZNQCLSA-N -1 3 388.895 3.524 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccc2c(c1)CCCN2 ZINC000417896309 841249388 /nfs/dbraw/zinc/24/93/88/841249388.db2.gz HSRQLYVITYFTPX-UHFFFAOYSA-N -1 3 390.281 3.512 20 0 GHADHM O=C([O-])C[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000656565126 841416670 /nfs/dbraw/zinc/41/66/70/841416670.db2.gz FCGUSLZYXJVFLX-RBUKOAKNSA-N -1 3 375.852 3.813 20 0 GHADHM O=C(NC1CCCCC1)NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000684263538 841424170 /nfs/dbraw/zinc/42/41/70/841424170.db2.gz VNJMJEJMKRIKEU-UHFFFAOYSA-N -1 3 395.503 3.782 20 0 GHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473043649 841581469 /nfs/dbraw/zinc/58/14/69/841581469.db2.gz FAEQWPAYSHTSEU-UHFFFAOYSA-N -1 3 399.516 3.775 20 0 GHADHM COC(=O)c1cc(C)nc2nc([N-]C(=O)c3cc(-c4ccccc4)no3)sc21 ZINC000500202336 841629196 /nfs/dbraw/zinc/62/91/96/841629196.db2.gz YUHICUJEEOFQCU-UHFFFAOYSA-N -1 3 394.412 3.694 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN(Cc2cccc(C)c2)CC1 ZINC000581550863 841655722 /nfs/dbraw/zinc/65/57/22/841655722.db2.gz RSXGBWLSQMDMFB-UHFFFAOYSA-N -1 3 391.471 3.572 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccccc1Cl ZINC000011810583 841672705 /nfs/dbraw/zinc/67/27/05/841672705.db2.gz XVWAXDUIFOWGJC-QMMMGPOBSA-N -1 3 375.639 3.837 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2oc(=O)ccc2c1 ZINC000178627117 841706091 /nfs/dbraw/zinc/70/60/91/841706091.db2.gz IRRXUDWDXXKBDU-UHFFFAOYSA-N -1 3 389.205 3.583 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000656734374 841855966 /nfs/dbraw/zinc/85/59/66/841855966.db2.gz LJYGGQNGYNUIEV-GXFFZTMASA-N -1 3 394.440 3.902 20 0 GHADHM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ncccc1[O-] ZINC000648055029 861256362 /nfs/dbraw/zinc/25/63/62/861256362.db2.gz HXSPDMICQKAIOX-UHFFFAOYSA-N -1 3 380.244 3.842 20 0 GHADHM Cc1nc(C)c(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)s1 ZINC000255365551 842042577 /nfs/dbraw/zinc/04/25/77/842042577.db2.gz SQGJDTXWBHKNAW-QPEQYQDCSA-N -1 3 382.470 3.606 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512011796 842118297 /nfs/dbraw/zinc/11/82/97/842118297.db2.gz SNJWUMKNSMFXMN-VIFPVBQESA-N -1 3 391.258 3.740 20 0 GHADHM CNC(=O)c1cc(Oc2ccc(NCc3cc([O-])cc(F)c3)cc2F)ccn1 ZINC000581755348 842148594 /nfs/dbraw/zinc/14/85/94/842148594.db2.gz HNWTWNIJFHGWEE-UHFFFAOYSA-N -1 3 385.370 3.829 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1)c1ccc(C)o1 ZINC000655530242 842151965 /nfs/dbraw/zinc/15/19/65/842151965.db2.gz IAFMBBUHSHAHLW-INIZCTEOSA-N -1 3 392.502 3.686 20 0 GHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000178064325 861303430 /nfs/dbraw/zinc/30/34/30/861303430.db2.gz ARLLQVTXJGTTCH-BBRMVZONSA-N -1 3 395.322 3.695 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000135305449 842432430 /nfs/dbraw/zinc/43/24/30/842432430.db2.gz CFDBQTOCJPHVBX-GFCCVEGCSA-N -1 3 380.441 3.762 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278991244 842436882 /nfs/dbraw/zinc/43/68/82/842436882.db2.gz QHOOTGAQGWLABA-MRVPVSSYSA-N -1 3 388.415 3.754 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cc(C)cc(C)c3)c2)n1 ZINC000049301914 842467272 /nfs/dbraw/zinc/46/72/72/842467272.db2.gz FQKXYYJHOBVWNB-UHFFFAOYSA-N -1 3 377.444 3.634 20 0 GHADHM CC(C)C[C@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)CC(=O)[O-] ZINC000663139300 842580273 /nfs/dbraw/zinc/58/02/73/842580273.db2.gz YXUGTYKWEVLVKO-RXVVDRJESA-N -1 3 388.552 3.583 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000432477602 842627591 /nfs/dbraw/zinc/62/75/91/842627591.db2.gz NINNAJRJEKRULU-INIZCTEOSA-N -1 3 380.897 3.834 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000050534614 842699249 /nfs/dbraw/zinc/69/92/49/842699249.db2.gz QMSWBMXBNYJOPP-UHFFFAOYSA-N -1 3 383.429 3.633 20 0 GHADHM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001126200911 842809055 /nfs/dbraw/zinc/80/90/55/842809055.db2.gz ABIFAFPIBITNAE-GJZGRUSLSA-N -1 3 398.544 3.849 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1C ZINC000187121925 842903872 /nfs/dbraw/zinc/90/38/72/842903872.db2.gz XELFAZXGSNMVAY-UHFFFAOYSA-N -1 3 390.574 3.907 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1C(C)C ZINC000663255552 842919265 /nfs/dbraw/zinc/91/92/65/842919265.db2.gz MKBOEIPWZYLVLW-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM COc1cc(Br)ccc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663261607 842939900 /nfs/dbraw/zinc/93/99/00/842939900.db2.gz MDSAXOPJQHVEIA-JTQLQIEISA-N -1 3 384.192 3.591 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1OC(F)F ZINC000663260902 842943964 /nfs/dbraw/zinc/94/39/64/842943964.db2.gz GTHGBQRCNZVCFX-UHFFFAOYSA-N -1 3 387.404 3.885 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ncc(-c2ccccc2)o1 ZINC000163497908 843000226 /nfs/dbraw/zinc/00/02/26/843000226.db2.gz QYGDIAFXZCJKDS-LBPRGKRZSA-N -1 3 378.400 3.800 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185798656 843031711 /nfs/dbraw/zinc/03/17/11/843031711.db2.gz CUCIDUJEBXBLQH-INIZCTEOSA-N -1 3 393.443 3.692 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2scnc2-c2ccccc2)c([O-])c1 ZINC000185803663 843031982 /nfs/dbraw/zinc/03/19/82/843031982.db2.gz ZVBZTPCGXUAQCT-UHFFFAOYSA-N -1 3 381.457 3.583 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C)c1 ZINC000186163872 843054993 /nfs/dbraw/zinc/05/49/93/843054993.db2.gz AYTTWBJSYSEXOH-CYBMUJFWSA-N -1 3 391.427 3.700 20 0 GHADHM CCC(CC)(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000150819727 843104689 /nfs/dbraw/zinc/10/46/89/843104689.db2.gz IKDQMGDZZDYIJQ-UHFFFAOYSA-N -1 3 381.473 3.653 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000159270293 843418359 /nfs/dbraw/zinc/41/83/59/843418359.db2.gz HATXMWQBHBTVRB-UHFFFAOYSA-N -1 3 392.858 3.732 20 0 GHADHM CCCCO[C@H](C)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512347762 843487672 /nfs/dbraw/zinc/48/76/72/843487672.db2.gz LXWKATKYPBZHDI-SNVBAGLBSA-N -1 3 384.249 3.544 20 0 GHADHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500496052 843536055 /nfs/dbraw/zinc/53/60/55/843536055.db2.gz JVKDSWYKIBDBCZ-UHFFFAOYSA-N -1 3 397.909 3.589 20 0 GHADHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000431068643 843537217 /nfs/dbraw/zinc/53/72/17/843537217.db2.gz CRNABGHRNDHNGL-JTQLQIEISA-N -1 3 384.885 3.998 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000070878237 843615555 /nfs/dbraw/zinc/61/55/55/843615555.db2.gz FZTUCCKQQGSAKG-UHFFFAOYSA-N -1 3 375.368 3.535 20 0 GHADHM CC1(C)CC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000512390208 843619317 /nfs/dbraw/zinc/61/93/17/843619317.db2.gz APVNBAPHJNNACX-MRXNPFEDSA-N -1 3 379.888 3.594 20 0 GHADHM O=S(=O)([N-]Cc1nccc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000500446944 843685423 /nfs/dbraw/zinc/68/54/23/843685423.db2.gz NWDGKWMDKBOEPH-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1ccc(Br)cc1Cl ZINC000429894898 843849103 /nfs/dbraw/zinc/84/91/03/843849103.db2.gz GOBOUJDHTKUVFE-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cc(Cl)ccc1Br ZINC000429889824 843855235 /nfs/dbraw/zinc/85/52/35/843855235.db2.gz JFQMOHUWNRZAFC-JTQLQIEISA-N -1 3 384.748 3.667 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1F ZINC000520468120 861492070 /nfs/dbraw/zinc/49/20/70/861492070.db2.gz ADINPKGEJGOGGA-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1Cl ZINC000432966444 844767062 /nfs/dbraw/zinc/76/70/62/844767062.db2.gz KSGFUEATGKAKEE-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(Cc2ccccc2)Cc2ccccc2)c1 ZINC000535852693 844794615 /nfs/dbraw/zinc/79/46/15/844794615.db2.gz NVSPUGFQICDXTA-UHFFFAOYSA-N -1 3 388.467 3.934 20 0 GHADHM CCOCCC1(C(=O)Nc2cc(I)ccc2[O-])CCC1 ZINC000610913374 844843891 /nfs/dbraw/zinc/84/38/91/844843891.db2.gz QSBAKEGPEZJXGC-UHFFFAOYSA-N -1 3 389.233 3.532 20 0 GHADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000067166475 845329895 /nfs/dbraw/zinc/32/98/95/845329895.db2.gz DPVRKHSKWUPFSG-UHFFFAOYSA-N -1 3 387.914 3.535 20 0 GHADHM O=S(=O)([N-]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1Cl ZINC000431285906 845549376 /nfs/dbraw/zinc/54/93/76/845549376.db2.gz VWOWWKXZFSOMRR-UHFFFAOYSA-N -1 3 386.256 3.690 20 0 GHADHM CCn1nccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000513563004 845672318 /nfs/dbraw/zinc/67/23/18/845672318.db2.gz PFWVMRVXAZGBCI-UHFFFAOYSA-N -1 3 398.488 3.573 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000513601359 845716954 /nfs/dbraw/zinc/71/69/54/845716954.db2.gz RTACWKIZNRWVSP-GOSISDBHSA-N -1 3 399.397 3.664 20 0 GHADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000548611250 845795313 /nfs/dbraw/zinc/79/53/13/845795313.db2.gz SPPWEDHUUORMCV-UHFFFAOYSA-N -1 3 390.848 3.769 20 0 GHADHM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000277343280 845807673 /nfs/dbraw/zinc/80/76/73/845807673.db2.gz DRRGHUYSMFMAFQ-UHFFFAOYSA-N -1 3 396.426 3.757 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000131756939 861664419 /nfs/dbraw/zinc/66/44/19/861664419.db2.gz UORHZABCNLQGHT-UEXGIBASSA-N -1 3 392.499 3.710 20 0 GHADHM CC[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccccc1 ZINC000421683238 846486073 /nfs/dbraw/zinc/48/60/73/846486073.db2.gz SFALNPPNPCIZFV-NSHDSACASA-N -1 3 390.203 3.762 20 0 GHADHM COc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(SC)cc1OC ZINC000277498672 846508950 /nfs/dbraw/zinc/50/89/50/846508950.db2.gz XODJCPURKWLCPC-ORAYPTAESA-N -1 3 375.490 3.977 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(CN2CCCC2=O)cc1 ZINC000179657118 861688364 /nfs/dbraw/zinc/68/83/64/861688364.db2.gz HCEXCFCWQJMAJS-UHFFFAOYSA-N -1 3 389.249 3.529 20 0 GHADHM CN(C)c1nc(C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc(=O)[n-]1 ZINC000434106198 846533320 /nfs/dbraw/zinc/53/33/20/846533320.db2.gz JRWADEMMVZLIHR-OAHLLOKOSA-N -1 3 394.397 3.634 20 0 GHADHM CCCCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(N)n2)n[n-]c1=O ZINC000502851683 846543797 /nfs/dbraw/zinc/54/37/97/846543797.db2.gz RIZOBZGHECONMP-SNVBAGLBSA-N -1 3 378.527 3.841 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000472193747 846653267 /nfs/dbraw/zinc/65/32/67/846653267.db2.gz MVPCCDULTIVBAB-INIZCTEOSA-N -1 3 394.244 3.639 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000503006243 846709033 /nfs/dbraw/zinc/70/90/33/846709033.db2.gz SKJQOWUSOGBDPV-KRWDZBQOSA-N -1 3 387.553 3.822 20 0 GHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cs1 ZINC000124885538 846796071 /nfs/dbraw/zinc/79/60/71/846796071.db2.gz GRASGLYLQCKZMU-UHFFFAOYSA-N -1 3 399.906 3.576 20 0 GHADHM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1Cl ZINC000414445132 847039251 /nfs/dbraw/zinc/03/92/51/847039251.db2.gz WAIMXQKCMXIEGN-UHFFFAOYSA-N -1 3 398.912 3.528 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000731631543 861773128 /nfs/dbraw/zinc/77/31/28/861773128.db2.gz UXJAYCOENZOIMR-LJQANCHMSA-N -1 3 382.366 3.772 20 0 GHADHM COc1ccccc1COC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000277629566 847341121 /nfs/dbraw/zinc/34/11/21/847341121.db2.gz BYTQQIQKLZMEHU-UHFFFAOYSA-N -1 3 375.852 3.876 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)c(C)n2)c1Cl ZINC000273509840 847359527 /nfs/dbraw/zinc/35/95/27/847359527.db2.gz IPUSXWISXWABCE-LLVKDONJSA-N -1 3 389.304 3.537 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nc(-c2ccccc2)cs1 ZINC000502049719 847433265 /nfs/dbraw/zinc/43/32/65/847433265.db2.gz KLPAWZDATBSSPW-NSHDSACASA-N -1 3 392.440 3.576 20 0 GHADHM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000157443132 861819147 /nfs/dbraw/zinc/81/91/47/861819147.db2.gz SXWAXVAAVZDDDV-MRXNPFEDSA-N -1 3 382.460 3.563 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000421138448 847772877 /nfs/dbraw/zinc/77/28/77/847772877.db2.gz BBDFDPGIJYJIHC-IBGZPJMESA-N -1 3 387.505 3.617 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000503540355 847774086 /nfs/dbraw/zinc/77/40/86/847774086.db2.gz PLXNTWCWYNYQTG-HXUWFJFHSA-N -1 3 395.484 3.584 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000502353586 847789171 /nfs/dbraw/zinc/78/91/71/847789171.db2.gz KJFGNPAQVHWXAN-GOSISDBHSA-N -1 3 376.456 3.588 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000176703123 847829287 /nfs/dbraw/zinc/82/92/87/847829287.db2.gz APMFNQIVCZBISR-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3c2OCC3)c(Br)c1 ZINC000421254474 847891598 /nfs/dbraw/zinc/89/15/98/847891598.db2.gz ZUIDIYUAZOGWEO-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c1C ZINC000116712214 848036551 /nfs/dbraw/zinc/03/65/51/848036551.db2.gz RKHFDGBDWXXOAI-XMMPIXPASA-N -1 3 379.547 3.908 20 0 GHADHM O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1cc([O-])ccc1Cl ZINC000481625943 861886068 /nfs/dbraw/zinc/88/60/68/861886068.db2.gz NECLNOCJMRKNMN-LLVKDONJSA-N -1 3 387.785 3.645 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2ccccc2C)c2ccc(Cl)cc2)no1 ZINC000179989559 861889059 /nfs/dbraw/zinc/88/90/59/861889059.db2.gz CRMAQYAYNCGSHA-QGZVFWFLSA-N -1 3 391.880 3.549 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000582811666 848442862 /nfs/dbraw/zinc/44/28/62/848442862.db2.gz TXCIQBKGJHESIF-UXHICEINSA-N -1 3 391.489 3.568 20 0 GHADHM COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1cncc(OC)n1 ZINC000569618643 848447136 /nfs/dbraw/zinc/44/71/36/848447136.db2.gz DZFDKFHYIJFMEA-UHFFFAOYSA-N -1 3 383.429 3.561 20 0 GHADHM CC[C@@H](C)Oc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1OC ZINC000130920546 848502492 /nfs/dbraw/zinc/50/24/92/848502492.db2.gz KBHISVRMPRQCNG-QGZVFWFLSA-N -1 3 398.503 3.536 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1ccc(Br)s1 ZINC000033702176 848681823 /nfs/dbraw/zinc/68/18/23/848681823.db2.gz ZMEJZLAXWMEGFW-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=C(NCc1cccc(COCc2ccco2)c1)c1nnc2ccccc2c1[O-] ZINC000731869191 861938779 /nfs/dbraw/zinc/93/87/79/861938779.db2.gz BALLHSKVIYKDNX-UHFFFAOYSA-N -1 3 389.411 3.575 20 0 GHADHM O=c1[n-]nc(SCc2csc(-c3ccco3)n2)n1CCc1ccccc1 ZINC000022518577 848920576 /nfs/dbraw/zinc/92/05/76/848920576.db2.gz OPCJOOZDRNAUAF-UHFFFAOYSA-N -1 3 384.486 3.823 20 0 GHADHM Cn1c(Sc2nc3ccccc3c(=O)[n-]2)nc2sc3c(c2c1=O)CCCC3 ZINC000731917710 861958627 /nfs/dbraw/zinc/95/86/27/861958627.db2.gz XXUOGBYNTXDDAP-UHFFFAOYSA-N -1 3 396.497 3.674 20 0 GHADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)s1 ZINC000427817288 849616893 /nfs/dbraw/zinc/61/68/93/849616893.db2.gz LKBHELIVOKYESF-UHFFFAOYSA-N -1 3 380.322 3.588 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1c(Cl)cccc1Br ZINC000509167162 862095472 /nfs/dbraw/zinc/09/54/72/862095472.db2.gz TYPZTHZWNGEPSN-NILFDRSVSA-N -1 3 398.709 3.719 20 0 GHADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000510028934 850155803 /nfs/dbraw/zinc/15/58/03/850155803.db2.gz JYUVTMNXEUUXFL-YPMHNXCESA-N -1 3 385.835 3.841 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000908525172 850158680 /nfs/dbraw/zinc/15/86/80/850158680.db2.gz NOZMRZWTQYCSGS-ZDUSSCGKSA-N -1 3 398.297 3.768 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000486862573 850177636 /nfs/dbraw/zinc/17/76/36/850177636.db2.gz ANYDWFFOFYJDBK-LURJTMIESA-N -1 3 388.795 3.994 20 0 GHADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(OCc2cccc(F)c2)c1 ZINC000424060265 850195498 /nfs/dbraw/zinc/19/54/98/850195498.db2.gz CPOGCNNGVWSGDK-UHFFFAOYSA-N -1 3 379.453 3.573 20 0 GHADHM COC(=O)c1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)[n-]1 ZINC000504681279 850234732 /nfs/dbraw/zinc/23/47/32/850234732.db2.gz VTLKQFQIKXAEIL-INIZCTEOSA-N -1 3 389.455 3.857 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000908741138 850315469 /nfs/dbraw/zinc/31/54/69/850315469.db2.gz XFHAKZREIVNUKC-UXHICEINSA-N -1 3 383.492 3.537 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000908753471 850330293 /nfs/dbraw/zinc/33/02/93/850330293.db2.gz WGZREBSRMCVNIS-RXVVDRJESA-N -1 3 395.503 3.681 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807042 850374141 /nfs/dbraw/zinc/37/41/41/850374141.db2.gz SFQAGQRHDHQNAW-QZTJIDSGSA-N -1 3 389.521 3.598 20 0 GHADHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000237134275 850503098 /nfs/dbraw/zinc/50/30/98/850503098.db2.gz CUEZSKQQXMJHST-CSKARUKUSA-N -1 3 392.908 3.557 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435440375 850529377 /nfs/dbraw/zinc/52/93/77/850529377.db2.gz WBWRYZZNJJHAQN-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435440376 850529468 /nfs/dbraw/zinc/52/94/68/850529468.db2.gz WBWRYZZNJJHAQN-OAHLLOKOSA-N -1 3 391.295 3.714 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)N=c3cc4ccccn4[n-]3)s2)cc1 ZINC000514957386 850534782 /nfs/dbraw/zinc/53/47/82/850534782.db2.gz GPQXEIRCIIJFSG-UHFFFAOYSA-N -1 3 378.457 3.839 20 0 GHADHM O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000909099841 850571550 /nfs/dbraw/zinc/57/15/50/850571550.db2.gz SBXALFCQDVZLLM-YFWYWMRJSA-N -1 3 382.435 3.774 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)ccc1Cl ZINC000506719459 850589676 /nfs/dbraw/zinc/58/96/76/850589676.db2.gz NVTIEQSBQLHTHH-UHFFFAOYSA-N -1 3 385.873 3.526 20 0 GHADHM COc1ccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC3(CCC3)C2)cc1 ZINC000505097395 850604350 /nfs/dbraw/zinc/60/43/50/850604350.db2.gz CQICNFDOXQEBHQ-UHFFFAOYSA-N -1 3 389.459 3.716 20 0 GHADHM COc1ccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC3(CCC3)C2)cc1 ZINC000505097395 850604363 /nfs/dbraw/zinc/60/43/63/850604363.db2.gz CQICNFDOXQEBHQ-UHFFFAOYSA-N -1 3 389.459 3.716 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1Br ZINC000487268022 850629103 /nfs/dbraw/zinc/62/91/03/850629103.db2.gz LRJACFWBBYOAJG-JTQLQIEISA-N -1 3 398.278 3.582 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])cc1 ZINC000909248898 850660341 /nfs/dbraw/zinc/66/03/41/850660341.db2.gz BHJRWBIIWCKPCR-OAQYLSRUSA-N -1 3 380.488 3.579 20 0 GHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000519135998 850675431 /nfs/dbraw/zinc/67/54/31/850675431.db2.gz LJFYGVWEHGRGIH-UHFFFAOYSA-N -1 3 390.939 3.722 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc(F)c(F)c(F)c1 ZINC000435588657 850677219 /nfs/dbraw/zinc/67/72/19/850677219.db2.gz MCOIQKBCVPMDHT-OTCDBFHCSA-N -1 3 377.334 3.607 20 0 GHADHM C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000909790207 850789773 /nfs/dbraw/zinc/78/97/73/850789773.db2.gz PZDPGARZZVDVDK-QGZVFWFLSA-N -1 3 396.487 3.627 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(Cl)c1F ZINC000435726737 850790086 /nfs/dbraw/zinc/79/00/86/850790086.db2.gz RLURLBFCDKARKL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(Cl)c1F ZINC000435726737 850790093 /nfs/dbraw/zinc/79/00/93/850790093.db2.gz RLURLBFCDKARKL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1Br)c1ccc(F)cc1F ZINC000435720725 850804424 /nfs/dbraw/zinc/80/44/24/850804424.db2.gz CXVVKFNNETWCBC-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732276606 862171131 /nfs/dbraw/zinc/17/11/31/862171131.db2.gz MMJYIUFCFJFXCK-CQSZACIVSA-N -1 3 379.460 3.830 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)ccc2O1 ZINC000505309978 850821282 /nfs/dbraw/zinc/82/12/82/850821282.db2.gz CKHDXMDZQWETLY-AWEZNQCLSA-N -1 3 382.441 3.998 20 0 GHADHM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000440138888 850825781 /nfs/dbraw/zinc/82/57/81/850825781.db2.gz XEKWZVUSJPQUDY-UHFFFAOYSA-N -1 3 394.471 3.806 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1cccc(CN3CCCC3)c1)CCC2 ZINC000909950171 850865893 /nfs/dbraw/zinc/86/58/93/850865893.db2.gz BGBCVNIBOGDZQS-NRFANRHFSA-N -1 3 392.499 3.831 20 0 GHADHM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000505400823 850898050 /nfs/dbraw/zinc/89/80/50/850898050.db2.gz AOGZEBLDBZMOGV-UHFFFAOYSA-N -1 3 376.453 3.641 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(Br)c1 ZINC000515327347 850900800 /nfs/dbraw/zinc/90/08/00/850900800.db2.gz NXPUXGVXJUYWIA-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c(C)o1 ZINC000434259816 850936415 /nfs/dbraw/zinc/93/64/15/850936415.db2.gz MOKBHTPCFFVOSH-KRWDZBQOSA-N -1 3 398.912 3.619 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000506797598 850963813 /nfs/dbraw/zinc/96/38/13/850963813.db2.gz QBLSPYWTAHNBQI-UHFFFAOYSA-N -1 3 391.493 3.806 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C2CC2)cc1 ZINC000515405698 850987368 /nfs/dbraw/zinc/98/73/68/850987368.db2.gz ADEMZVUMVJBKEH-QRWLVFNGSA-N -1 3 378.472 3.752 20 0 GHADHM Cc1cc(Br)ccc1CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000434340821 851016880 /nfs/dbraw/zinc/01/68/80/851016880.db2.gz IORRZUIISLZUFW-UHFFFAOYSA-N -1 3 385.261 3.871 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000515521329 851122350 /nfs/dbraw/zinc/12/23/50/851122350.db2.gz MRXWQSCFGRXRBF-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM CC[C@@H](C)c1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000434516657 851210873 /nfs/dbraw/zinc/21/08/73/851210873.db2.gz ILOFDKVVGHAECC-SNVBAGLBSA-N -1 3 379.258 3.780 20 0 GHADHM C[C@H](C[N-]C(=O)C(F)(F)c1ncccc1Br)CC(F)(F)F ZINC000910438305 851216143 /nfs/dbraw/zinc/21/61/43/851216143.db2.gz JPWRGCWSSJRYBH-ZETCQYMHSA-N -1 3 375.135 3.641 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccsc1 ZINC000729451715 851239029 /nfs/dbraw/zinc/23/90/29/851239029.db2.gz YLLSKESOQOETBG-DJWKRKHSSA-N -1 3 390.408 3.790 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3cn4cccc(C)c4n3)nc(=O)c2c1C ZINC000732357464 862225666 /nfs/dbraw/zinc/22/56/66/862225666.db2.gz FOEMZFQAPGCIPN-GFCCVEGCSA-N -1 3 396.472 3.817 20 0 GHADHM CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3ncccc3[O-])c21 ZINC000473639013 851316761 /nfs/dbraw/zinc/31/67/61/851316761.db2.gz BXJDFBKSOREDNL-UHFFFAOYSA-N -1 3 378.388 3.637 20 0 GHADHM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ncccc1[O-] ZINC000473636786 851327647 /nfs/dbraw/zinc/32/76/47/851327647.db2.gz RXUNDIRSPCRCSY-UHFFFAOYSA-N -1 3 394.271 3.520 20 0 GHADHM CC[C@@](C)(C(=O)OC)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)CC1CC1 ZINC000425506575 851410838 /nfs/dbraw/zinc/41/08/38/851410838.db2.gz CPEZXEAPVJMSKS-NRFANRHFSA-N -1 3 383.448 3.635 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000111329383 851626453 /nfs/dbraw/zinc/62/64/53/851626453.db2.gz LDLHKEJTEWRPSJ-NRFANRHFSA-N -1 3 394.496 3.794 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])N(C)C)cc1 ZINC000911238197 851637747 /nfs/dbraw/zinc/63/77/47/851637747.db2.gz MRMBNYZMZRFZEY-YJBOKZPZSA-N -1 3 386.517 3.593 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000911273031 851657396 /nfs/dbraw/zinc/65/73/96/851657396.db2.gz FRZCCHSRKTVUBX-UHFFFAOYSA-N -1 3 386.879 3.775 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1sc2cccc(F)c2c1C ZINC000911279297 851660283 /nfs/dbraw/zinc/66/02/83/851660283.db2.gz HCCTZGVMYYMYGA-AWEZNQCLSA-N -1 3 392.496 3.750 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)CCc2ccccc2C(=O)[O-])N2CCCC2)cc1 ZINC000911294368 851670605 /nfs/dbraw/zinc/67/06/05/851670605.db2.gz ALTLOFYDSYEFCI-OAQYLSRUSA-N -1 3 380.488 3.579 20 0 GHADHM Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000911300184 851672512 /nfs/dbraw/zinc/67/25/12/851672512.db2.gz IHKSRPIPWMMQLW-UHFFFAOYSA-N -1 3 398.381 3.509 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1OCC1CC1 ZINC000488675853 851700327 /nfs/dbraw/zinc/70/03/27/851700327.db2.gz NNDYTZQJSZUSMI-UHFFFAOYSA-N -1 3 376.250 3.874 20 0 GHADHM CN(C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000488679044 851701901 /nfs/dbraw/zinc/70/19/01/851701901.db2.gz UNHALKRYVYEJQB-INIZCTEOSA-N -1 3 397.700 3.727 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000911385210 851706135 /nfs/dbraw/zinc/70/61/35/851706135.db2.gz PTVUDJFTVSPLED-BXWFABGCSA-N -1 3 398.528 3.645 20 0 GHADHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc2[nH]ccc21 ZINC000911386176 851706773 /nfs/dbraw/zinc/70/67/73/851706773.db2.gz BESINOZOPWBJSS-OAHLLOKOSA-N -1 3 395.434 3.856 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC)ccc2C)cc1 ZINC000027338455 851725694 /nfs/dbraw/zinc/72/56/94/851725694.db2.gz GYSWOGPVSSMOPN-HNNXBMFYSA-N -1 3 390.505 3.723 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000911422953 851737139 /nfs/dbraw/zinc/73/71/39/851737139.db2.gz FSWSFFCLYKHJQY-INIZCTEOSA-N -1 3 378.538 3.590 20 0 GHADHM O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCc1ccc([O-])c(F)c1 ZINC000132820726 862279242 /nfs/dbraw/zinc/27/92/42/862279242.db2.gz UVTQEVWVHUGLSF-UHFFFAOYSA-N -1 3 381.363 3.577 20 0 GHADHM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C(C)(C)CN1Cc1ccccc1 ZINC000911501851 851762339 /nfs/dbraw/zinc/76/23/39/851762339.db2.gz YODNAVMPNNIWNX-ACCUITESSA-N -1 3 396.487 3.893 20 0 GHADHM CCC(C)(C)OCc1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000488823112 851800337 /nfs/dbraw/zinc/80/03/37/851800337.db2.gz LNIAQXPCONFPSY-UHFFFAOYSA-N -1 3 380.444 3.836 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cn(CCC(C)C)nn3)n2)cc1 ZINC000440467721 851889713 /nfs/dbraw/zinc/88/97/13/851889713.db2.gz RWIGPUGJZWUBNF-UHFFFAOYSA-N -1 3 388.522 3.817 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000132859175 862298724 /nfs/dbraw/zinc/29/87/24/862298724.db2.gz BPUITSUZVBVYJN-UHFFFAOYSA-N -1 3 388.402 3.709 20 0 GHADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436484071 851979701 /nfs/dbraw/zinc/97/97/01/851979701.db2.gz DGVKIHZWGMDFCV-OAHLLOKOSA-N -1 3 397.475 3.620 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1[O-] ZINC000436520248 852010945 /nfs/dbraw/zinc/01/09/45/852010945.db2.gz DJBZFPSYQJNGBP-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)C1 ZINC000436525298 852016418 /nfs/dbraw/zinc/01/64/18/852016418.db2.gz FZPOADAINRWGME-JXFKEZNVSA-N -1 3 380.488 3.900 20 0 GHADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436526187 852017033 /nfs/dbraw/zinc/01/70/33/852017033.db2.gz PWNJSKQPODPAOB-QWHCGFSZSA-N -1 3 382.441 3.807 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436532346 852023945 /nfs/dbraw/zinc/02/39/45/852023945.db2.gz XMWHBTFSJNTRMI-BSIFCXSSSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3F)no2)c([O-])c1 ZINC000436532582 852024103 /nfs/dbraw/zinc/02/41/03/852024103.db2.gz KTOJVSPULLELIU-UHFFFAOYSA-N -1 3 375.787 3.516 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(c2cn[nH]c2)CC1 ZINC000436538873 852048305 /nfs/dbraw/zinc/04/83/05/852048305.db2.gz RREABKIVXNZQNH-UHFFFAOYSA-N -1 3 375.472 3.920 20 0 GHADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436545888 852058905 /nfs/dbraw/zinc/05/89/05/852058905.db2.gz NNJPYHYVAIISBY-CVEARBPZSA-N -1 3 382.460 3.561 20 0 GHADHM COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436545641 852059318 /nfs/dbraw/zinc/05/93/18/852059318.db2.gz SBECHOMPHAUFIE-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2CC12CCOCC2)c1ccc(Cl)s1 ZINC000329779395 862316786 /nfs/dbraw/zinc/31/67/86/862316786.db2.gz LVBDEWSIHUVGPV-MRXNPFEDSA-N -1 3 383.922 3.774 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000436592660 852079425 /nfs/dbraw/zinc/07/94/25/852079425.db2.gz XISIDBAWSRTXPZ-IBGZPJMESA-N -1 3 390.430 3.588 20 0 GHADHM CCc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cnn1C(CC)CC ZINC000436595240 852082801 /nfs/dbraw/zinc/08/28/01/852082801.db2.gz LOJJYYGZOSOLFD-IBGZPJMESA-N -1 3 398.507 3.756 20 0 GHADHM COc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])ccc1NC(N)=O ZINC000436583821 852091758 /nfs/dbraw/zinc/09/17/58/852091758.db2.gz LETVFRVAMWVFHA-UHFFFAOYSA-N -1 3 393.399 3.936 20 0 GHADHM CN1CCc2nc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])sc2C1 ZINC000436586963 852094796 /nfs/dbraw/zinc/09/47/96/852094796.db2.gz XHLRKZLHFGQCKQ-UHFFFAOYSA-N -1 3 393.512 3.874 20 0 GHADHM COCCc1nc2cc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc2o1 ZINC000436587928 852095690 /nfs/dbraw/zinc/09/56/90/852095690.db2.gz XZCLAKPFGJDQGY-UHFFFAOYSA-N -1 3 382.416 3.688 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436618153 852099618 /nfs/dbraw/zinc/09/96/18/852099618.db2.gz KKXFQLRQRCSAEE-HXUWFJFHSA-N -1 3 394.515 3.741 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436612231 852112733 /nfs/dbraw/zinc/11/27/33/852112733.db2.gz PZWYMOHTXQYSSN-SFHVURJKSA-N -1 3 392.499 3.623 20 0 GHADHM COc1cccc([C@@H](NC(=O)c2ccc(O)cc2[O-])c2cc(F)ccc2OC)c1 ZINC000436627890 852120813 /nfs/dbraw/zinc/12/08/13/852120813.db2.gz VQHDTBCFSJRUSS-OAQYLSRUSA-N -1 3 397.402 3.774 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436639072 852133065 /nfs/dbraw/zinc/13/30/65/852133065.db2.gz IOIDCRKUBKDSQR-QVKFZJNVSA-N -1 3 384.451 3.569 20 0 GHADHM COC(=O)c1sc(NC(=O)c2ccc(C(C)=O)c([O-])c2)nc1C1CCCC1 ZINC000436673598 852173511 /nfs/dbraw/zinc/17/35/11/852173511.db2.gz RMSNGWJBUPYQIG-UHFFFAOYSA-N -1 3 388.445 3.748 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000489282202 852185246 /nfs/dbraw/zinc/18/52/46/852185246.db2.gz XREVANVYDXCOFE-QMMMGPOBSA-N -1 3 384.376 3.529 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000436698286 852214461 /nfs/dbraw/zinc/21/44/61/852214461.db2.gz XFXPJRRDXXYDTQ-UHFFFAOYSA-N -1 3 380.488 3.672 20 0 GHADHM COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436716272 852240281 /nfs/dbraw/zinc/24/02/81/852240281.db2.gz PJKVNOUGZHNYSJ-ORAYPTAESA-N -1 3 392.858 3.616 20 0 GHADHM CO[C@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000180779210 862335487 /nfs/dbraw/zinc/33/54/87/862335487.db2.gz STUHUHHBXKJEJZ-CQSZACIVSA-N -1 3 394.468 3.689 20 0 GHADHM CC(C)Oc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436745029 852263536 /nfs/dbraw/zinc/26/35/36/852263536.db2.gz ACLSJEFLJCMORM-UHFFFAOYSA-N -1 3 388.895 3.791 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)c([O-])c2O1 ZINC000436759226 852280167 /nfs/dbraw/zinc/28/01/67/852280167.db2.gz VCXLXOPZGVJZDD-UHFFFAOYSA-N -1 3 375.808 3.783 20 0 GHADHM O=C([O-])[C@H](CNCc1csc(-c2ccccn2)n1)Cc1ccc(Cl)cc1 ZINC000426704939 852289585 /nfs/dbraw/zinc/28/95/85/852289585.db2.gz MSRASYCMIWBPNU-AWEZNQCLSA-N -1 3 387.892 3.892 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])c2nccn2C)cc1 ZINC000436753103 852296416 /nfs/dbraw/zinc/29/64/16/852296416.db2.gz CHIGAOQYVRSGJV-HXUWFJFHSA-N -1 3 379.460 3.777 20 0 GHADHM CS(=O)(=O)c1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436753993 852297279 /nfs/dbraw/zinc/29/72/79/852297279.db2.gz GQYGQJYVTNEWPD-UHFFFAOYSA-N -1 3 383.425 3.840 20 0 GHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436756553 852303032 /nfs/dbraw/zinc/30/30/32/852303032.db2.gz REBTVKHJHNHLSS-UHFFFAOYSA-N -1 3 380.488 3.676 20 0 GHADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1ccc(Br)o1 ZINC000426718835 852304014 /nfs/dbraw/zinc/30/40/14/852304014.db2.gz CCSAMCIERFTELN-LBPRGKRZSA-N -1 3 376.609 3.620 20 0 GHADHM O=C(NCc1c(Cl)cccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000517720702 852305569 /nfs/dbraw/zinc/30/55/69/852305569.db2.gz IFCDSSMDHBUBOV-MRXNPFEDSA-N -1 3 393.270 3.620 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000426720887 852305675 /nfs/dbraw/zinc/30/56/75/852305675.db2.gz POCHDNXCPQOHJP-PXAZEXFGSA-N -1 3 390.277 3.936 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3c(c2)CCOC3)s1 ZINC000912513733 852316361 /nfs/dbraw/zinc/31/63/61/852316361.db2.gz AOMMDXKJOBCBAC-UHFFFAOYSA-N -1 3 375.450 3.815 20 0 GHADHM CO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnn(C)c1 ZINC000436770023 852326622 /nfs/dbraw/zinc/32/66/22/852326622.db2.gz KZAWGSJXDSOIBD-GOSISDBHSA-N -1 3 394.456 3.729 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000426732616 852327765 /nfs/dbraw/zinc/32/77/65/852327765.db2.gz JBVKLMDJEKFAIB-OALUTQOASA-N -1 3 375.852 3.813 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000436784372 852337910 /nfs/dbraw/zinc/33/79/10/852337910.db2.gz XDEPZXAGZWDWET-CWTRNNRKSA-N -1 3 380.448 3.744 20 0 GHADHM CC(C)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c([O-])c1 ZINC000436786045 852338492 /nfs/dbraw/zinc/33/84/92/852338492.db2.gz RDJYUCPWWBTTRZ-UHFFFAOYSA-N -1 3 397.471 3.723 20 0 GHADHM Cc1nc(COc2ccc(CN[C@H](C(=O)[O-])c3cccc(Cl)c3)cc2)no1 ZINC000426742441 852342407 /nfs/dbraw/zinc/34/24/07/852342407.db2.gz JWGCYQLXDBHVFD-SFHVURJKSA-N -1 3 387.823 3.526 20 0 GHADHM CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000436792394 852351063 /nfs/dbraw/zinc/35/10/63/852351063.db2.gz NSIZSXJAWZBYTA-INIZCTEOSA-N -1 3 376.859 3.921 20 0 GHADHM C[C@H](CC(F)(F)F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436799077 852355828 /nfs/dbraw/zinc/35/58/28/852355828.db2.gz BICJRJRHCBQALQ-CXAGYDPISA-N -1 3 394.393 3.711 20 0 GHADHM COc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1NC(N)=O ZINC000436818818 852359007 /nfs/dbraw/zinc/35/90/07/852359007.db2.gz BVBNRZQZFQDCOP-UHFFFAOYSA-N -1 3 391.427 3.735 20 0 GHADHM CCn1nc(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c2ccccc21 ZINC000426752271 852359624 /nfs/dbraw/zinc/35/96/24/852359624.db2.gz BUFBJHMMLREPET-MRXNPFEDSA-N -1 3 375.831 3.634 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(Cl)c(F)c1 ZINC000426754487 852361751 /nfs/dbraw/zinc/36/17/51/852361751.db2.gz QQHMHKFBGGAKDO-GOSISDBHSA-N -1 3 387.798 3.977 20 0 GHADHM COc1ccc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c([O-])c1 ZINC000436806512 852366218 /nfs/dbraw/zinc/36/62/18/852366218.db2.gz HXDPSYKRCDFQTK-GFCCVEGCSA-N -1 3 378.831 3.544 20 0 GHADHM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436809993 852369199 /nfs/dbraw/zinc/36/91/99/852369199.db2.gz QJAZPZOJGUOIEL-SFHVURJKSA-N -1 3 391.471 3.863 20 0 GHADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cccc1-c1ncco1 ZINC000436828661 852378485 /nfs/dbraw/zinc/37/84/85/852378485.db2.gz ZHHVCYPROIKVKG-GOSISDBHSA-N -1 3 391.427 3.599 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000436837767 852388023 /nfs/dbraw/zinc/38/80/23/852388023.db2.gz HPHDKNVBHKWAPR-LJQANCHMSA-N -1 3 384.520 3.960 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OCc1ccncc1 ZINC000426817983 852428938 /nfs/dbraw/zinc/42/89/38/852428938.db2.gz QPOLQUWOVMCLCO-IBGZPJMESA-N -1 3 384.457 3.646 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2sccc2c1 ZINC000436868213 852431738 /nfs/dbraw/zinc/43/17/38/852431738.db2.gz HAHNSFHNERIVMV-UHFFFAOYSA-N -1 3 380.469 3.642 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436857637 852444269 /nfs/dbraw/zinc/44/42/69/852444269.db2.gz BFUOJLQWKSNDBA-LIRRHRJNSA-N -1 3 382.460 3.973 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2ccccc2[C@@H]1CO ZINC000436904196 852468994 /nfs/dbraw/zinc/46/89/94/852468994.db2.gz YBBVPTCJDVKEGO-NRFANRHFSA-N -1 3 375.424 3.916 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1COc2ccc(Cl)cc21 ZINC000489607498 852482562 /nfs/dbraw/zinc/48/25/62/852482562.db2.gz OLSKXUMHTBTIAN-CYBMUJFWSA-N -1 3 380.791 3.986 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(OC[C@H]4CCCO4)c(OC)c3)no2)c1 ZINC000436900733 852486888 /nfs/dbraw/zinc/48/68/88/852486888.db2.gz JRIPNTNYAQTXMY-OAHLLOKOSA-N -1 3 398.415 3.684 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1CCCC1 ZINC000436913727 852491614 /nfs/dbraw/zinc/49/16/14/852491614.db2.gz JQBLBXUCCHFAIA-NRFANRHFSA-N -1 3 380.488 3.950 20 0 GHADHM COCCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436934700 852517556 /nfs/dbraw/zinc/51/75/56/852517556.db2.gz YVOARLBCJXPHPO-GFCCVEGCSA-N -1 3 383.366 3.966 20 0 GHADHM CCCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000436955710 852546172 /nfs/dbraw/zinc/54/61/72/852546172.db2.gz LUQNWWQDWMNRBG-IBGZPJMESA-N -1 3 395.503 3.532 20 0 GHADHM O=C(NCCCOCC1CCOCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436974087 852557644 /nfs/dbraw/zinc/55/76/44/852557644.db2.gz WTGZTNVOKOZFIN-UHFFFAOYSA-N -1 3 397.515 3.741 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)c([O-])c1 ZINC000436974554 852560668 /nfs/dbraw/zinc/56/06/68/852560668.db2.gz ZKXVNHOHPKOPDZ-UHFFFAOYSA-N -1 3 384.476 3.542 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3[C@H](C)CCC[C@H]3C)cs2)c1 ZINC000436975843 852562149 /nfs/dbraw/zinc/56/21/49/852562149.db2.gz ABIKDYWBVFSTBD-ZIAGYGMSSA-N -1 3 387.505 3.741 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@H](C)CC[C@H]3C)cs2)c1 ZINC000436976050 852562280 /nfs/dbraw/zinc/56/22/80/852562280.db2.gz AGUGDTQYSWCBBS-ZIAGYGMSSA-N -1 3 387.505 3.599 20 0 GHADHM CC[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)(C)C ZINC000436977125 852563540 /nfs/dbraw/zinc/56/35/40/852563540.db2.gz DODWLXCCZYMJEA-MRXNPFEDSA-N -1 3 389.521 3.893 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](C)CC3(C)C)cs2)c1 ZINC000436977704 852565066 /nfs/dbraw/zinc/56/50/66/852565066.db2.gz FKIGGDWGWNVRIH-ZDUSSCGKSA-N -1 3 387.505 3.599 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)c([O-])c1 ZINC000436979707 852568018 /nfs/dbraw/zinc/56/80/18/852568018.db2.gz LGLKXXZSDLTCJN-UHFFFAOYSA-N -1 3 389.521 3.607 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000426964362 852577240 /nfs/dbraw/zinc/57/72/40/852577240.db2.gz PMSVKVFBVYTBQF-IIMJZQEZSA-N -1 3 392.503 3.777 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2OC(C)(C)C)c([O-])c1 ZINC000436990669 852581039 /nfs/dbraw/zinc/58/10/39/852581039.db2.gz VRDPXYCMGGSYIR-UHFFFAOYSA-N -1 3 388.439 3.776 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(c3ccccc3OC)CC2)[nH][n-]1 ZINC000522672227 862372118 /nfs/dbraw/zinc/37/21/18/862372118.db2.gz BFQSSEBJBFQFAW-UHFFFAOYSA-N -1 3 397.862 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000427064443 852682847 /nfs/dbraw/zinc/68/28/47/852682847.db2.gz LQRSNYYDAHFORC-GJZGRUSLSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000427064443 852682854 /nfs/dbraw/zinc/68/28/54/852682854.db2.gz LQRSNYYDAHFORC-GJZGRUSLSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc([O-])ccc1Cl ZINC000507311434 852772212 /nfs/dbraw/zinc/77/22/12/852772212.db2.gz ZKGLLDJAZVEADA-QUCCMNQESA-N -1 3 377.843 3.688 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000448690451 862398936 /nfs/dbraw/zinc/39/89/36/862398936.db2.gz MPNCONRJCNXIDM-QGZVFWFLSA-N -1 3 394.849 3.820 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000133130543 862410303 /nfs/dbraw/zinc/41/03/03/862410303.db2.gz VWEQLUFIZHTWBL-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000507529519 853012862 /nfs/dbraw/zinc/01/28/62/853012862.db2.gz ILJQLCKYADESBC-LLVKDONJSA-N -1 3 381.810 3.570 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1OC ZINC000490546849 853082898 /nfs/dbraw/zinc/08/28/98/853082898.db2.gz SKAFQYMFRHHKGL-UHFFFAOYSA-N -1 3 388.489 3.517 20 0 GHADHM CCc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)ccc1F ZINC000507618202 853113414 /nfs/dbraw/zinc/11/34/14/853113414.db2.gz RKRTUUALQXHCIH-UHFFFAOYSA-N -1 3 399.447 3.836 20 0 GHADHM O=C(Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1c[n-]c2ccccc2c1=O ZINC000490587371 853116913 /nfs/dbraw/zinc/11/69/13/853116913.db2.gz OOZAAGOUSGEBSB-UHFFFAOYSA-N -1 3 399.332 3.584 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(-c3ncc(C)o3)c1)c2=O ZINC000518259602 853129257 /nfs/dbraw/zinc/12/92/57/853129257.db2.gz NQLFUPPUVXMRKF-UHFFFAOYSA-N 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853210487 /nfs/dbraw/zinc/21/04/87/853210487.db2.gz YHUVUWVJBGMECG-UHFFFAOYSA-N -1 3 377.194 3.798 20 0 GHADHM COc1ccc(Br)cc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913300069 853210499 /nfs/dbraw/zinc/21/04/99/853210499.db2.gz YHUVUWVJBGMECG-UHFFFAOYSA-N -1 3 377.194 3.798 20 0 GHADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000517088139 853367203 /nfs/dbraw/zinc/36/72/03/853367203.db2.gz STWZDJGRZYEQND-LDYMZIIASA-N -1 3 386.233 3.935 20 0 GHADHM CC(C)[C@]1(C(=O)[O-])CCN([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000519707771 853417383 /nfs/dbraw/zinc/41/73/83/853417383.db2.gz NODFKVOFCIBCGS-DJJJIMSYSA-N -1 3 377.872 3.808 20 0 GHADHM CC(C)[C@@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CC12CCOCC2 ZINC000334028088 853503428 /nfs/dbraw/zinc/50/34/28/853503428.db2.gz IXGQYVMDYNBBOJ-INIZCTEOSA-N -1 3 397.313 3.501 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000586811872 853540382 /nfs/dbraw/zinc/54/03/82/853540382.db2.gz WOVIDDRWAUGLCP-LBPRGKRZSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)c[n-]1 ZINC000586811872 853540390 /nfs/dbraw/zinc/54/03/90/853540390.db2.gz WOVIDDRWAUGLCP-LBPRGKRZSA-N -1 3 383.370 3.813 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000440709293 853552049 /nfs/dbraw/zinc/55/20/49/853552049.db2.gz BXCQZPGKNJNQDQ-QGZVFWFLSA-N -1 3 379.460 3.754 20 0 GHADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)s1 ZINC000518622550 853574815 /nfs/dbraw/zinc/57/48/15/853574815.db2.gz AGMXTIFHOYWPRB-UHFFFAOYSA-N -1 3 395.893 3.771 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c(=O)[n-]1 ZINC000440759429 853608493 /nfs/dbraw/zinc/60/84/93/853608493.db2.gz XKYKFFAZMVHVDU-KRWDZBQOSA-N -1 3 399.882 3.625 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1 ZINC000518687114 853637498 /nfs/dbraw/zinc/63/74/98/853637498.db2.gz NVFNMISLGXWABH-UHFFFAOYSA-N -1 3 390.505 3.723 20 0 GHADHM CCOc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000519946233 853639186 /nfs/dbraw/zinc/63/91/86/853639186.db2.gz KAENFAGWPIYNHT-UHFFFAOYSA-N -1 3 378.432 3.878 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)s1 ZINC000518688616 853659061 /nfs/dbraw/zinc/65/90/61/853659061.db2.gz HNWNCXCMKZROTM-UHFFFAOYSA-N -1 3 394.863 3.815 20 0 GHADHM Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc(C2CC2)n1 ZINC000604756999 862496783 /nfs/dbraw/zinc/49/67/83/862496783.db2.gz RTEQZJINDCWSDT-UHFFFAOYSA-N -1 3 386.883 3.877 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1ccc(Br)cn1 ZINC000571807781 854163300 /nfs/dbraw/zinc/16/33/00/854163300.db2.gz YMMCFNGLDXHGQW-VIFPVBQESA-N -1 3 393.715 3.525 20 0 GHADHM CCCNC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000588172612 854196683 /nfs/dbraw/zinc/19/66/83/854196683.db2.gz BMLIRDHYFCTPBO-UHFFFAOYSA-N -1 3 393.336 3.501 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)ccn1 ZINC000112496151 854232568 /nfs/dbraw/zinc/23/25/68/854232568.db2.gz UALFTNQUOKBJHD-UHFFFAOYSA-N -1 3 392.374 3.608 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)sc1Cl ZINC000473909654 854237881 /nfs/dbraw/zinc/23/78/81/854237881.db2.gz CYZCGCQFVXAFOL-UHFFFAOYSA-N -1 3 399.950 3.749 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)sc1Cl ZINC000473912459 854252784 /nfs/dbraw/zinc/25/27/84/854252784.db2.gz SWLFXQQDJBPRLI-GFCCVEGCSA-N -1 3 390.983 3.887 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)CC1CC1 ZINC000112689967 854291903 /nfs/dbraw/zinc/29/19/03/854291903.db2.gz YJEBHMRWWIIWQB-AWEZNQCLSA-N -1 3 390.480 3.853 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000163756331 862550335 /nfs/dbraw/zinc/55/03/35/862550335.db2.gz AKURWQYYZCIBGB-UHFFFAOYSA-N -1 3 390.842 3.989 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CSc2ccc3c4c(cccc42)CC3)[n-]1 ZINC000588717669 854381065 /nfs/dbraw/zinc/38/10/65/854381065.db2.gz KBNLGVOWPSXIBV-UHFFFAOYSA-N -1 3 381.457 3.569 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CSc2ccc3c4c(cccc42)CC3)c[n-]1 ZINC000588717669 854381072 /nfs/dbraw/zinc/38/10/72/854381072.db2.gz KBNLGVOWPSXIBV-UHFFFAOYSA-N -1 3 381.457 3.569 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cccc(Br)c1Cl ZINC000572184995 854436167 /nfs/dbraw/zinc/43/61/67/854436167.db2.gz XXZDAWCUNPIUPD-QMMMGPOBSA-N -1 3 388.661 3.959 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000056176671 854505814 /nfs/dbraw/zinc/50/58/14/854505814.db2.gz BBRWLRHFHZWPHC-LBPRGKRZSA-N -1 3 398.525 3.763 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(C)(C)c2cccs2)cc1OC ZINC000604892100 862573297 /nfs/dbraw/zinc/57/32/97/862573297.db2.gz JKJGAEZCYMCRDZ-UHFFFAOYSA-N -1 3 397.522 3.575 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000328833817 854567262 /nfs/dbraw/zinc/56/72/62/854567262.db2.gz RVIZRNNDNGWDKH-RLLQIKCJSA-N -1 3 396.491 3.705 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1 ZINC000068462188 854590390 /nfs/dbraw/zinc/59/03/90/854590390.db2.gz BNIGZDUPPBUKJO-UHFFFAOYSA-N -1 3 399.472 3.567 20 0 GHADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)c1 ZINC000330385744 854665159 /nfs/dbraw/zinc/66/51/59/854665159.db2.gz AFNGDJQNUVIAGJ-NRFANRHFSA-N -1 3 389.446 3.947 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330630743 854713196 /nfs/dbraw/zinc/71/31/96/854713196.db2.gz OTQQTYTYLFMQQA-AAEUAGOBSA-N -1 3 396.734 3.584 20 0 GHADHM NC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000330690624 854716052 /nfs/dbraw/zinc/71/60/52/854716052.db2.gz YQSVKXTYYVFBAH-UHFFFAOYSA-N -1 3 384.807 3.731 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCOCC1 ZINC000330978923 854789450 /nfs/dbraw/zinc/78/94/50/854789450.db2.gz INKVJQMGUNUIGZ-CYBMUJFWSA-N -1 3 396.734 3.586 20 0 GHADHM CC(C)[C@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000045409070 854873241 /nfs/dbraw/zinc/87/32/41/854873241.db2.gz LYMLCKDOQHXKOR-INIZCTEOSA-N -1 3 390.827 3.590 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000784095181 855149755 /nfs/dbraw/zinc/14/97/55/855149755.db2.gz LBPNXXJNJMKGSN-UHFFFAOYSA-N -1 3 396.790 3.843 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1OCC(F)(F)F ZINC000482038025 862649649 /nfs/dbraw/zinc/64/96/49/862649649.db2.gz HCEZNTHNFCNBRS-UHFFFAOYSA-N -1 3 393.358 3.885 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000482040767 862652593 /nfs/dbraw/zinc/65/25/93/862652593.db2.gz MFHZJVMKPMXVGD-QGZVFWFLSA-N -1 3 380.366 3.644 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c([O-])c1 ZINC000189988826 855254677 /nfs/dbraw/zinc/25/46/77/855254677.db2.gz UGVJAFMHIJCTLY-UHFFFAOYSA-N -1 3 395.459 3.621 20 0 GHADHM O=C(NCCc1cccc(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000482055633 862658293 /nfs/dbraw/zinc/65/82/93/862658293.db2.gz MTCOQANCCSUQPG-UHFFFAOYSA-N -1 3 383.673 3.850 20 0 GHADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000055616772 855360744 /nfs/dbraw/zinc/36/07/44/855360744.db2.gz YOMCDEXWGNUTLY-UHFFFAOYSA-N -1 3 388.367 3.735 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000055633280 855364044 /nfs/dbraw/zinc/36/40/44/855364044.db2.gz WOXTYMIRHRXELI-UHFFFAOYSA-N -1 3 377.506 3.966 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1F ZINC000029003877 855537360 /nfs/dbraw/zinc/53/73/60/855537360.db2.gz UCHKYIQDFBOCAI-UHFFFAOYSA-N -1 3 376.453 3.666 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC[C@H]1C1CC1 ZINC000590719553 855560307 /nfs/dbraw/zinc/56/03/07/855560307.db2.gz JDLMARQWYNPGGA-IBGZPJMESA-N -1 3 388.464 3.641 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3nc4ccccc4s3)[n-]c(=O)c12 ZINC000520556953 855645725 /nfs/dbraw/zinc/64/57/25/855645725.db2.gz TYUUFLADTBXESO-UHFFFAOYSA-N -1 3 398.469 3.727 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1ccc(OC(F)F)cc1 ZINC000573047927 855703689 /nfs/dbraw/zinc/70/36/89/855703689.db2.gz FLRVVFHDIMQJDZ-UHFFFAOYSA-N -1 3 394.765 3.788 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)c(C)o1 ZINC000183144745 855735667 /nfs/dbraw/zinc/73/56/67/855735667.db2.gz RANCROBNKYPYSY-UHFFFAOYSA-N -1 3 380.535 3.554 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000193085497 855868417 /nfs/dbraw/zinc/86/84/17/855868417.db2.gz ISPCJDOJADVYNY-ZDUSSCGKSA-N -1 3 391.924 3.996 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1cc(Br)ccc1Cl ZINC000591396091 855980355 /nfs/dbraw/zinc/98/03/55/855980355.db2.gz FNBQYSBSXSMFPO-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2ncc(-c3ccccc3)s2)n[n-]1 ZINC000895103877 856005723 /nfs/dbraw/zinc/00/57/23/856005723.db2.gz AEYUAXMJIHTQBC-OAHLLOKOSA-N -1 3 399.520 3.982 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ncc(-c3ccccc3)s2)[n-]1 ZINC000895103877 856005738 /nfs/dbraw/zinc/00/57/38/856005738.db2.gz AEYUAXMJIHTQBC-OAHLLOKOSA-N -1 3 399.520 3.982 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2ncc(-c3ccccc3)s2)n1 ZINC000895103877 856005744 /nfs/dbraw/zinc/00/57/44/856005744.db2.gz AEYUAXMJIHTQBC-OAHLLOKOSA-N -1 3 399.520 3.982 20 0 GHADHM O=c1[n-]nc(SCCCOc2ccc3c(c2)OCO3)n1CCc1ccccc1 ZINC000520687284 856020347 /nfs/dbraw/zinc/02/03/47/856020347.db2.gz DBRVFVCIYNFGGJ-UHFFFAOYSA-N -1 3 399.472 3.516 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1Cl ZINC000671668403 856032923 /nfs/dbraw/zinc/03/29/23/856032923.db2.gz SMDMDBXQVWXTIK-UHFFFAOYSA-N -1 3 385.194 3.938 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000485105462 856096241 /nfs/dbraw/zinc/09/62/41/856096241.db2.gz JITHCMJPIANANB-INIZCTEOSA-N -1 3 380.791 3.814 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000485105462 856096257 /nfs/dbraw/zinc/09/62/57/856096257.db2.gz JITHCMJPIANANB-INIZCTEOSA-N -1 3 380.791 3.814 20 0 GHADHM CC1(C)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)Cc2ccccc21 ZINC000482161854 862756897 /nfs/dbraw/zinc/75/68/97/862756897.db2.gz XYYLBBDSGZICNR-UHFFFAOYSA-N -1 3 399.292 3.844 20 0 GHADHM COC(=O)c1coc(-c2noc(-c3c[n-]c(=NC(=O)OC(C)(C)C)s3)n2)c1 ZINC000904959532 856105201 /nfs/dbraw/zinc/10/52/01/856105201.db2.gz HBMRKWJPGMHDFC-UHFFFAOYSA-N -1 3 392.393 3.587 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c(OC[C@@H]2CCCO2)c1 ZINC000573426325 856120590 /nfs/dbraw/zinc/12/05/90/856120590.db2.gz OTVZZIWCFHQSAN-BBTUJRGHSA-N -1 3 387.501 3.851 20 0 GHADHM CCc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)[nH]c(C)c1C(C)=O ZINC000485127778 856127182 /nfs/dbraw/zinc/12/71/82/856127182.db2.gz CNALHSOFOJJAIW-UHFFFAOYSA-N -1 3 377.404 3.872 20 0 GHADHM CCc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)[nH]c(C)c1C(C)=O ZINC000485127778 856127191 /nfs/dbraw/zinc/12/71/91/856127191.db2.gz CNALHSOFOJJAIW-UHFFFAOYSA-N -1 3 377.404 3.872 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000485131062 856130475 /nfs/dbraw/zinc/13/04/75/856130475.db2.gz MDXACJDSYWBQJO-UHFFFAOYSA-N -1 3 389.346 3.863 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000485131062 856130482 /nfs/dbraw/zinc/13/04/82/856130482.db2.gz MDXACJDSYWBQJO-UHFFFAOYSA-N -1 3 389.346 3.863 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1 ZINC000441741784 856161405 /nfs/dbraw/zinc/16/14/05/856161405.db2.gz PMTKDTNKHVTIQO-UHFFFAOYSA-N -1 3 399.472 3.567 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c([O-])c1 ZINC000031368592 856164650 /nfs/dbraw/zinc/16/46/50/856164650.db2.gz ACMMLXMVVHWHEI-UHFFFAOYSA-N -1 3 393.270 3.606 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000032094574 856208126 /nfs/dbraw/zinc/20/81/26/856208126.db2.gz VNNPDYOIVFMFLQ-UHFFFAOYSA-N -1 3 382.485 3.786 20 0 GHADHM O=C([N-]OC1CCCCC1)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000760872755 856223715 /nfs/dbraw/zinc/22/37/15/856223715.db2.gz HAMXUIGQJRRYCG-UHFFFAOYSA-N -1 3 399.672 3.938 20 0 GHADHM O=C(NOC1CCCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760872755 856223728 /nfs/dbraw/zinc/22/37/28/856223728.db2.gz HAMXUIGQJRRYCG-UHFFFAOYSA-N -1 3 399.672 3.938 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN(CC)C(C)=O)c2)cc1C ZINC000032599400 856243721 /nfs/dbraw/zinc/24/37/21/856243721.db2.gz PUOURGKBEVKCOI-UHFFFAOYSA-N -1 3 390.505 3.563 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C)nc3C3CC3)c2)n1 ZINC000280974933 862785706 /nfs/dbraw/zinc/78/57/06/862785706.db2.gz IARHPOBAHJGHIH-UHFFFAOYSA-N -1 3 375.432 3.640 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C2)C1 ZINC000482189416 862787859 /nfs/dbraw/zinc/78/78/59/862787859.db2.gz XFYBUQRVTOACPF-PXAZEXFGSA-N -1 3 377.286 3.563 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000110001731 856415556 /nfs/dbraw/zinc/41/55/56/856415556.db2.gz WROKWDFZCIMBEB-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000110001731 856415568 /nfs/dbraw/zinc/41/55/68/856415568.db2.gz WROKWDFZCIMBEB-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM CCc1noc([C@@H]2CC[C@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)n1 ZINC000921794030 856450824 /nfs/dbraw/zinc/45/08/24/856450824.db2.gz GZONOFRQZJJVCB-ZJUUUORDSA-N -1 3 390.292 3.553 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccccc1)CC(F)F ZINC000485417279 856494586 /nfs/dbraw/zinc/49/45/86/856494586.db2.gz QOAZCLTXNORNLX-UHFFFAOYSA-N -1 3 378.325 3.714 20 0 GHADHM COc1cccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1OC(C)C ZINC000905747597 856500990 /nfs/dbraw/zinc/50/09/90/856500990.db2.gz BMMKGIXADWMXKJ-CQSZACIVSA-N -1 3 376.478 3.627 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000482207595 862808135 /nfs/dbraw/zinc/80/81/35/862808135.db2.gz HWEJEEMJBOTRJL-SFYZADRCSA-N -1 3 379.169 3.550 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000592027372 856628463 /nfs/dbraw/zinc/62/84/63/856628463.db2.gz GKKDWJPOIJFUPI-UHFFFAOYSA-N -1 3 390.365 3.892 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000592027372 856628474 /nfs/dbraw/zinc/62/84/74/856628474.db2.gz GKKDWJPOIJFUPI-UHFFFAOYSA-N -1 3 390.365 3.892 20 0 GHADHM Cc1nc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)oc1C ZINC000058311375 856631988 /nfs/dbraw/zinc/63/19/88/856631988.db2.gz MBIXQACGDJOLHA-LJQANCHMSA-N -1 3 394.427 3.602 20 0 GHADHM CN(Cc1ccc(Cl)nc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905877951 856681221 /nfs/dbraw/zinc/68/12/21/856681221.db2.gz WEBYKNHHUQVOIX-UHFFFAOYSA-N -1 3 382.873 3.811 20 0 GHADHM Cc1cc(Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)ccc1Br ZINC000436955714 856802738 /nfs/dbraw/zinc/80/27/38/856802738.db2.gz LVWHBCOIVUWKEE-UHFFFAOYSA-N -1 3 389.205 3.833 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)ccc2C)c1 ZINC000172713626 856816149 /nfs/dbraw/zinc/81/61/49/856816149.db2.gz VYRJPVOQYGYIKE-UHFFFAOYSA-N -1 3 392.459 3.762 20 0 GHADHM O=c1cc(-c2nc(CCc3ccccc3Br)no2)nc(C2CC2)[n-]1 ZINC000906100998 856826715 /nfs/dbraw/zinc/82/67/15/856826715.db2.gz DTXBHJHJWYBHCB-UHFFFAOYSA-N -1 3 387.237 3.657 20 0 GHADHM Cc1ccc(C2(c3noc(-c4cc(=O)[n-]c(C5CC5)n4)n3)CCOCC2)cc1 ZINC000906117089 856844040 /nfs/dbraw/zinc/84/40/40/856844040.db2.gz ZJSDJVTYHFFOLY-UHFFFAOYSA-N -1 3 378.432 3.515 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cn1 ZINC000509210965 862847152 /nfs/dbraw/zinc/84/71/52/862847152.db2.gz LLGMKHZMSIWVKC-CYBMUJFWSA-N -1 3 398.328 3.991 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485668407 856903637 /nfs/dbraw/zinc/90/36/37/856903637.db2.gz LXAYSCSWTIKPDQ-JKSUJKDBSA-N -1 3 385.464 3.680 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c(F)c1 ZINC000508097029 856909282 /nfs/dbraw/zinc/90/92/82/856909282.db2.gz SCUNRIYRAUGEJY-UHFFFAOYSA-N -1 3 389.857 3.788 20 0 GHADHM CCCCc1nc(NC(=O)c2sc([C@@H](C)OC)nc2C)c(C(=O)OCC)[n-]1 ZINC000485671881 856909403 /nfs/dbraw/zinc/90/94/03/856909403.db2.gz ODGQKLLYEICZPV-LLVKDONJSA-N -1 3 394.497 3.654 20 0 GHADHM CCOc1cc(CNc2cnn(CC(=O)OC(C)(C)C)c2)cc(Cl)c1[O-] ZINC000592515993 856914713 /nfs/dbraw/zinc/91/47/13/856914713.db2.gz SPVKBMVPZWROJM-UHFFFAOYSA-N -1 3 381.860 3.595 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1SC1CCCC1 ZINC000046851395 856937896 /nfs/dbraw/zinc/93/78/96/856937896.db2.gz IZUNNEHNXZBULN-UHFFFAOYSA-N -1 3 399.516 3.978 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCc3[nH]c4c(cccc4Br)c3C2)n1 ZINC000675181468 857076229 /nfs/dbraw/zinc/07/62/29/857076229.db2.gz BIOQUKZDCOBQLT-UHFFFAOYSA-N -1 3 387.281 3.547 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccccc4F)on3)cc2)n1 ZINC000064374292 857137641 /nfs/dbraw/zinc/13/76/41/857137641.db2.gz MDPCZDCOZVKBJL-UHFFFAOYSA-N -1 3 390.374 3.792 20 0 GHADHM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000057121240 857148494 /nfs/dbraw/zinc/14/84/94/857148494.db2.gz QFUHBGWXXTZLKT-HNNXBMFYSA-N -1 3 390.505 3.641 20 0 GHADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(Br)s3)c21 ZINC000485882895 857168397 /nfs/dbraw/zinc/16/83/97/857168397.db2.gz MTFQITHEIHJFEB-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3OC(C)C)[n-]c(=O)c12 ZINC000057812718 857237809 /nfs/dbraw/zinc/23/78/09/857237809.db2.gz WWIGKTCXRDOXFQ-UHFFFAOYSA-N -1 3 399.472 3.905 20 0 GHADHM C[S@](=O)Cc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000906713221 857238002 /nfs/dbraw/zinc/23/80/02/857238002.db2.gz UFMSWUOBDNPUGA-SANMLTNESA-N -1 3 395.506 3.621 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000567920409 862893708 /nfs/dbraw/zinc/89/37/08/862893708.db2.gz JQHVSVXVMOLGSF-AWEZNQCLSA-N -1 3 382.489 3.713 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)NCc1ncccc1[O-] ZINC000574217459 857295794 /nfs/dbraw/zinc/29/57/94/857295794.db2.gz MKPOWTNFUYVNQN-HNNXBMFYSA-N -1 3 394.500 3.516 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1cc(Br)ccc1F ZINC000060321005 857422410 /nfs/dbraw/zinc/42/24/10/857422410.db2.gz NSDHIZINQKDERI-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000060568441 857459226 /nfs/dbraw/zinc/45/92/26/857459226.db2.gz SKJBJEZSGALNRO-TVRCVXMWSA-N -1 3 394.496 3.867 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000465982952 857463755 /nfs/dbraw/zinc/46/37/55/857463755.db2.gz NKQUWUHLAYESSB-CQSZACIVSA-N -1 3 391.874 3.773 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000675672104 857556700 /nfs/dbraw/zinc/55/67/00/857556700.db2.gz MJARWLNTXUVBHJ-CYBMUJFWSA-N -1 3 398.406 3.544 20 0 GHADHM CC(C)CCc1noc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000063428963 857616593 /nfs/dbraw/zinc/61/65/93/857616593.db2.gz CHYWKQSTTGPIFQ-UHFFFAOYSA-N -1 3 396.476 3.785 20 0 GHADHM O=C([N-]c1cnoc1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000593677355 857655857 /nfs/dbraw/zinc/65/58/57/857655857.db2.gz DRFVQCVTGIGHCD-UHFFFAOYSA-N -1 3 392.124 3.833 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1C ZINC000442236365 857663855 /nfs/dbraw/zinc/66/38/55/857663855.db2.gz KHNPOBNRTFRAJQ-WOJBJXKFSA-N -1 3 375.490 3.787 20 0 GHADHM CC1(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CCCC1 ZINC000486367184 857683851 /nfs/dbraw/zinc/68/38/51/857683851.db2.gz QKTMXITUGRCPRM-UHFFFAOYSA-N -1 3 378.416 3.986 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOC2(C1)CCCCCC2 ZINC000486427362 857726454 /nfs/dbraw/zinc/72/64/54/857726454.db2.gz WVVRQIFQRYAOOG-UHFFFAOYSA-N -1 3 397.313 3.790 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000593851052 857763877 /nfs/dbraw/zinc/76/38/77/857763877.db2.gz QSPSBNKQDXCAKK-MRXNPFEDSA-N -1 3 379.472 3.967 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C(=O)OC(C)C)C(C)C ZINC001129201433 857810440 /nfs/dbraw/zinc/81/04/40/857810440.db2.gz OISPYLHMOLBIBN-AWEZNQCLSA-N -1 3 377.815 3.533 20 0 GHADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)(C3)C2 ZINC000907961124 857862645 /nfs/dbraw/zinc/86/26/45/857862645.db2.gz YZAUYCIOLNWNDE-MYMYQCDVSA-N -1 3 386.458 3.510 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c(C)c1C ZINC000676560231 857942611 /nfs/dbraw/zinc/94/26/11/857942611.db2.gz WPIDPXHOSASRDG-UHFFFAOYSA-N -1 3 381.404 3.858 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccc(Br)cc1Cl ZINC000486684029 857995189 /nfs/dbraw/zinc/99/51/89/857995189.db2.gz AWGCUGNTOHIAAK-VIFPVBQESA-N -1 3 388.661 3.959 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000486696138 858002941 /nfs/dbraw/zinc/00/29/41/858002941.db2.gz CAGCLUYPQGANQT-MRXNPFEDSA-N -1 3 392.546 3.970 20 0 GHADHM COC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000605309828 862974540 /nfs/dbraw/zinc/97/45/40/862974540.db2.gz XDAACXBWXHFLLA-KRWDZBQOSA-N -1 3 390.361 3.664 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C(F)(F)c3ccccc3)nc(=O)c2c1C ZINC000046558739 858074863 /nfs/dbraw/zinc/07/48/63/858074863.db2.gz ZWFIZIQKUVBJLS-SNVBAGLBSA-N -1 3 378.400 3.998 20 0 GHADHM CCO[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000067928504 858085749 /nfs/dbraw/zinc/08/57/49/858085749.db2.gz ZFGFVQYNUZWTJS-GOSISDBHSA-N -1 3 390.505 3.858 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000055225854 858114910 /nfs/dbraw/zinc/11/49/10/858114910.db2.gz PQJRRLGIRUWTLO-CQSZACIVSA-N -1 3 379.416 3.512 20 0 GHADHM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)[nH]n1 ZINC000442820120 858160596 /nfs/dbraw/zinc/16/05/96/858160596.db2.gz RSXTVEATHMRTHI-UHFFFAOYSA-N -1 3 382.367 3.600 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1F ZINC000521691826 858235635 /nfs/dbraw/zinc/23/56/35/858235635.db2.gz XWBLYFQPDIUENS-OCCSQVGLSA-N -1 3 388.233 3.562 20 0 GHADHM Cc1oc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1C ZINC000158072013 858315129 /nfs/dbraw/zinc/31/51/29/858315129.db2.gz PGTITDHNEAPMCB-QGZVFWFLSA-N -1 3 376.884 3.958 20 0 GHADHM Cc1oc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1C ZINC000158072163 858315149 /nfs/dbraw/zinc/31/51/49/858315149.db2.gz PGTITDHNEAPMCB-KRWDZBQOSA-N -1 3 376.884 3.958 20 0 GHADHM CCCCN1C(=O)CC[C@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccc(OC)cc1 ZINC000543096665 858327923 /nfs/dbraw/zinc/32/79/23/858327923.db2.gz MPCUKRMTEUEEGG-FXAWDEMLSA-N -1 3 397.475 3.514 20 0 GHADHM CCc1ccc(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)s1 ZINC000443112943 858378257 /nfs/dbraw/zinc/37/82/57/858378257.db2.gz XRIXLNIEUUGAAF-UHFFFAOYSA-N -1 3 395.527 3.790 20 0 GHADHM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000443112733 858379436 /nfs/dbraw/zinc/37/94/36/858379436.db2.gz SPPLAHNXDNNFDP-KRWDZBQOSA-N -1 3 388.895 3.791 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)ccc1F ZINC000521895796 858427248 /nfs/dbraw/zinc/42/72/48/858427248.db2.gz OKZXEKNCRMRVFT-UHFFFAOYSA-N -1 3 395.843 3.883 20 0 GHADHM COc1cccc(C2(F)CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000543114796 858442298 /nfs/dbraw/zinc/44/22/98/858442298.db2.gz YLIZQORITDLUOK-UHFFFAOYSA-N -1 3 376.403 3.710 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000674107805 863025701 /nfs/dbraw/zinc/02/57/01/863025701.db2.gz YDPCIRNYLGGSOB-JTQLQIEISA-N -1 3 378.416 3.842 20 0 GHADHM CCn1ncc2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c(C)nc21 ZINC000443232763 858479189 /nfs/dbraw/zinc/47/91/89/858479189.db2.gz XOXCNSYAQAYXJA-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM CCn1ncc2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c(C)nc21 ZINC000443232763 858479195 /nfs/dbraw/zinc/47/91/95/858479195.db2.gz XOXCNSYAQAYXJA-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(C)c1C ZINC000115313123 858488302 /nfs/dbraw/zinc/48/83/02/858488302.db2.gz XMOJMPGNUNXEKW-XMMPIXPASA-N -1 3 379.547 3.908 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCCCC(C)(C)C)c2)[n-]1 ZINC001128620411 863033068 /nfs/dbraw/zinc/03/30/68/863033068.db2.gz OVCRAVISTFUWAL-UHFFFAOYSA-N -1 3 386.496 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCCCC(C)(C)C)c2)n[n-]1 ZINC001128620411 863033080 /nfs/dbraw/zinc/03/30/80/863033080.db2.gz OVCRAVISTFUWAL-UHFFFAOYSA-N -1 3 386.496 3.871 20 0 GHADHM COc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000443325531 858568423 /nfs/dbraw/zinc/56/84/23/858568423.db2.gz XJBFSYBSLFZYIY-KRWDZBQOSA-N -1 3 388.895 3.791 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3ccc(C)o3)c2)cc1 ZINC000115627096 858592679 /nfs/dbraw/zinc/59/26/79/858592679.db2.gz WJEQZFXHVBEFMD-UHFFFAOYSA-N -1 3 386.473 3.687 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)Oc3ccccc3F)cc2)cc(=O)[n-]1 ZINC000466178323 858601515 /nfs/dbraw/zinc/60/15/15/858601515.db2.gz MPTVEPRVAZNJNQ-ZDUSSCGKSA-N -1 3 396.422 3.886 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@H](C)CC(C)(C)C ZINC000443396473 858637947 /nfs/dbraw/zinc/63/79/47/858637947.db2.gz XAANGKLRZVAXAR-HNNXBMFYSA-N -1 3 384.524 3.652 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522153064 858673531 /nfs/dbraw/zinc/67/35/31/858673531.db2.gz PAMKPZQMKUDENW-CYBMUJFWSA-N -1 3 377.282 3.941 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nnnc3C(C)C)c(C)c2)cc1C ZINC000543163987 858694681 /nfs/dbraw/zinc/69/46/81/858694681.db2.gz QZROVQCWVJVFPE-UHFFFAOYSA-N -1 3 385.493 3.512 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Cn3ccc4ccccc43)cc2)n1 ZINC000508420542 858716200 /nfs/dbraw/zinc/71/62/00/858716200.db2.gz TZKYIPOQXYZQDA-OAHLLOKOSA-N -1 3 386.455 3.975 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000676624942 858728406 /nfs/dbraw/zinc/72/84/06/858728406.db2.gz APTJUDBCHQSIAG-UHFFFAOYSA-N -1 3 398.373 3.548 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000482655517 858736953 /nfs/dbraw/zinc/73/69/53/858736953.db2.gz LCPSZWJJOKNYCI-VIFPVBQESA-N -1 3 391.806 3.513 20 0 GHADHM Cc1cc2c(cc1NC(=O)NCc1ccc([O-])c(Br)c1)OCO2 ZINC000183763277 858814350 /nfs/dbraw/zinc/81/43/50/858814350.db2.gz ZDGIOFULSZQMFJ-UHFFFAOYSA-N -1 3 379.210 3.514 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000544563573 858851534 /nfs/dbraw/zinc/85/15/34/858851534.db2.gz XIFZHYZBBTUSEX-AWEZNQCLSA-N -1 3 379.913 3.617 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000068109555 858892533 /nfs/dbraw/zinc/89/25/33/858892533.db2.gz OQRSTRJEGYAAMV-AWEZNQCLSA-N -1 3 390.505 3.761 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000482847863 858903613 /nfs/dbraw/zinc/90/36/13/858903613.db2.gz YGYZSTQJZOJEIB-AWEZNQCLSA-N -1 3 385.365 3.693 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1 ZINC000522263148 858909170 /nfs/dbraw/zinc/90/91/70/858909170.db2.gz HQWHETAQHVCXCM-LJQANCHMSA-N -1 3 383.536 3.814 20 0 GHADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000909512055 858989700 /nfs/dbraw/zinc/98/97/00/858989700.db2.gz AARIUXVWTBOMTD-UHFFFAOYSA-N -1 3 395.503 3.784 20 0 GHADHM Cc1ncc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000543611638 859001978 /nfs/dbraw/zinc/00/19/78/859001978.db2.gz IKBADQBKDSGXBV-ZBFHGGJFSA-N -1 3 396.274 3.582 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1C ZINC000184875043 859012515 /nfs/dbraw/zinc/01/25/15/859012515.db2.gz ASQAJHCXOVJAKF-OAHLLOKOSA-N -1 3 379.453 3.659 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(-n2cccn2)c1 ZINC000483008576 859072015 /nfs/dbraw/zinc/07/20/15/859072015.db2.gz BFXQIZBGTIGGJV-UHFFFAOYSA-N -1 3 387.237 3.662 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000068579176 859102277 /nfs/dbraw/zinc/10/22/77/859102277.db2.gz QGKGFEIKWBCTPW-UHFFFAOYSA-N -1 3 377.466 3.718 20 0 GHADHM Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000060435039 859257989 /nfs/dbraw/zinc/25/79/89/859257989.db2.gz FIDXYBZXKJSIJX-UHFFFAOYSA-N -1 3 389.908 3.509 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509391617 859283611 /nfs/dbraw/zinc/28/36/11/859283611.db2.gz ZYGGHQYEIKFAQB-UHFFFAOYSA-N -1 3 396.852 3.608 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC000895373481 859303280 /nfs/dbraw/zinc/30/32/80/859303280.db2.gz LTPOFUTVXUHRGL-SNVBAGLBSA-N -1 3 391.443 3.967 20 0 GHADHM CCOc1cc(CN2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000597182677 859341763 /nfs/dbraw/zinc/34/17/63/859341763.db2.gz YUJJWNYFBYRBHS-NEPJUHHUSA-N -1 3 395.805 3.618 20 0 GHADHM Cc1nc(-c2ccc(N3CC[C@]4(CC(F)(F)C4(F)F)C3)nc2)[n-]c(=O)c1C ZINC000895390850 859367599 /nfs/dbraw/zinc/36/75/99/859367599.db2.gz APXRHKMJPYKJPD-INIZCTEOSA-N -1 3 382.361 3.732 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000483458036 859386910 /nfs/dbraw/zinc/38/69/10/859386910.db2.gz WZQFDFRVJOMZDV-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000483458036 859386919 /nfs/dbraw/zinc/38/69/19/859386919.db2.gz WZQFDFRVJOMZDV-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000117318410 859392305 /nfs/dbraw/zinc/39/23/05/859392305.db2.gz LCOBDYCFKOGREM-NWDGAFQWSA-N -1 3 395.322 3.695 20 0 GHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543365241 859405069 /nfs/dbraw/zinc/40/50/69/859405069.db2.gz FUCDFGWYBQOYDS-GOSISDBHSA-N -1 3 386.496 3.866 20 0 GHADHM Cc1cn2c(n1)C[C@@H](C(=O)N=c1cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]1)CC2 ZINC000626053221 859420424 /nfs/dbraw/zinc/42/04/24/859420424.db2.gz RZIFYQCRWAPFLA-NSHDSACASA-N -1 3 390.274 3.511 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3sccc3OC)nc(=O)c2c1C ZINC000764436494 859449159 /nfs/dbraw/zinc/44/91/59/859449159.db2.gz XHJRCQPXGZNGSP-VURMDHGXSA-N -1 3 396.877 3.887 20 0 GHADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])nn1-c1ccc(Br)cc1 ZINC000543392062 859530127 /nfs/dbraw/zinc/53/01/27/859530127.db2.gz FPXQFYPGXMKRKZ-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)n1 ZINC000114313480 859541495 /nfs/dbraw/zinc/54/14/95/859541495.db2.gz MPZDKJGHBXTQLC-UHFFFAOYSA-N -1 3 393.852 3.720 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc2ccccc2[nH]1 ZINC000611156499 859624846 /nfs/dbraw/zinc/62/48/46/859624846.db2.gz JMFBMHZTKIRSHU-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM CCC(CC)(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673507243 859633677 /nfs/dbraw/zinc/63/36/77/859633677.db2.gz JXOYLLJNQGOLER-CVEARBPZSA-N -1 3 383.492 3.625 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466481172 859695782 /nfs/dbraw/zinc/69/57/82/859695782.db2.gz KSKOYVPTSGGAIZ-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)s1 ZINC000120381684 881469699 /nfs/dbraw/zinc/46/96/99/881469699.db2.gz QVVNQZAEFWNZEB-UHFFFAOYSA-N -1 3 379.445 3.789 20 0 GHADHM CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000194787685 859907408 /nfs/dbraw/zinc/90/74/08/859907408.db2.gz NZWIZJFDWSTTMZ-MRXNPFEDSA-N -1 3 376.859 3.921 20 0 GHADHM C[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cncs1 ZINC000484367152 859975161 /nfs/dbraw/zinc/97/51/61/859975161.db2.gz JWFQHDMNVLTRHZ-ZDUSSCGKSA-N -1 3 391.493 3.934 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4ccc(OC)cc4c3)nc21 ZINC000484418289 859996618 /nfs/dbraw/zinc/99/66/18/859996618.db2.gz YMDFNMMMRBBVHS-UHFFFAOYSA-N -1 3 375.384 3.764 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)s1 ZINC000280863640 860009651 /nfs/dbraw/zinc/00/96/51/860009651.db2.gz AYGNZCAZDIIKAA-NSHDSACASA-N -1 3 391.459 3.526 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000154222885 860027178 /nfs/dbraw/zinc/02/71/78/860027178.db2.gz XRYZVEZOKZXOAL-ZDUSSCGKSA-N -1 3 397.740 3.649 20 0 GHADHM CCOC[C@@H](NCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000904018685 860028717 /nfs/dbraw/zinc/02/87/17/860028717.db2.gz STUJEUGBNGVKOP-MRXNPFEDSA-N -1 3 385.794 3.990 20 0 GHADHM O=C([O-])C[C@@H](CNCc1ncc(Br)cc1Cl)C1CCCC1 ZINC000904026590 860068723 /nfs/dbraw/zinc/06/87/23/860068723.db2.gz IPVVQMMATPJRNL-NSHDSACASA-N -1 3 375.694 3.868 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(OCC(F)(F)F)cc1 ZINC000436557697 860075991 /nfs/dbraw/zinc/07/59/91/860075991.db2.gz XSKBGCRILKRFHM-JTQLQIEISA-N -1 3 383.322 3.553 20 0 GHADHM O=C([O-])C[C@H](Cc1cc(F)c(F)cc1F)NCc1nc2c(s1)CCCC2 ZINC000904062602 860084251 /nfs/dbraw/zinc/08/42/51/860084251.db2.gz OMOSGGRSTVCVJZ-NSHDSACASA-N -1 3 384.423 3.615 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000904069336 860119275 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O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000727673276 860183877 /nfs/dbraw/zinc/18/38/77/860183877.db2.gz ZBYIMVZYJWIXPS-VAWYXSNFSA-N -1 3 375.432 3.840 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000727673276 860183880 /nfs/dbraw/zinc/18/38/80/860183880.db2.gz ZBYIMVZYJWIXPS-VAWYXSNFSA-N -1 3 375.432 3.840 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cncs2)c(C(=O)OC(C)(C)C)c1C ZINC000498530232 860229573 /nfs/dbraw/zinc/22/95/73/860229573.db2.gz STOWFYUDHHRJTR-UHFFFAOYSA-N -1 3 396.490 3.897 20 0 GHADHM CCSC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000598330844 860238047 /nfs/dbraw/zinc/23/80/47/860238047.db2.gz VIQOKULTAUSDGV-IBGZPJMESA-N -1 3 398.528 3.655 20 0 GHADHM CC[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccccc1C ZINC000904221153 860244342 /nfs/dbraw/zinc/24/43/42/860244342.db2.gz YRTMHDRNDUMHHE-GOSISDBHSA-N -1 3 386.492 3.836 20 0 GHADHM CCCCO[C@@H]1C[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC000904223652 860247391 /nfs/dbraw/zinc/24/73/91/860247391.db2.gz KLWYATZJOKCYCU-QZTJIDSGSA-N -1 3 378.513 3.654 20 0 GHADHM C[C@]1(c2cccc(F)c2)CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904249106 860264442 /nfs/dbraw/zinc/26/44/42/860264442.db2.gz KDQACYZOJCWNEO-QFIPXVFZSA-N -1 3 386.467 3.883 20 0 GHADHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904241142 860278606 /nfs/dbraw/zinc/27/86/06/860278606.db2.gz PPNVMUSXPKMKDJ-VQTJNVASSA-N -1 3 398.503 3.916 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000727835556 860286031 /nfs/dbraw/zinc/28/60/31/860286031.db2.gz SWMDBAFWEFKJRS-KSEUIEODSA-N -1 3 398.488 3.727 20 0 GHADHM CC(C)C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)CC(=O)OC(C)(C)C ZINC000598403147 860288415 /nfs/dbraw/zinc/28/84/15/860288415.db2.gz VTKUTALNBODQQN-HNNXBMFYSA-N -1 3 386.492 3.652 20 0 GHADHM COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)s1 ZINC000598564700 860405973 /nfs/dbraw/zinc/40/59/73/860405973.db2.gz UPSMDZCPRFTKEV-AWEZNQCLSA-N -1 3 388.489 3.779 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Br)cc2Cl)c1 ZINC000116009008 860416977 /nfs/dbraw/zinc/41/69/77/860416977.db2.gz PBRUXDZCGIKOPG-UHFFFAOYSA-N -1 3 397.656 3.697 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603043686 860454695 /nfs/dbraw/zinc/45/46/95/860454695.db2.gz NOWPDYONEPLKIM-MNOVXSKESA-N -1 3 384.855 3.707 20 0 GHADHM COC(=O)c1c2c(sc1[N-]C(=O)c1ncoc1-c1ccon1)CCCCC2 ZINC000598808000 860589850 /nfs/dbraw/zinc/58/98/50/860589850.db2.gz OIXSEMSMPDQLEF-UHFFFAOYSA-N -1 3 387.417 3.699 20 0 GHADHM C[C@@H]1COCCN1C1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000646317459 860657366 /nfs/dbraw/zinc/65/73/66/860657366.db2.gz SHIVBKFIPATZIY-CQSZACIVSA-N -1 3 388.895 3.524 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](n2cccn2)C1 ZINC000102482500 860720041 /nfs/dbraw/zinc/72/00/41/860720041.db2.gz XFAWYSRSQCGAQI-FQEVSTJZSA-N -1 3 375.472 3.851 20 0 GHADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1csc(-c2ccccc2)n1 ZINC000489797493 860755477 /nfs/dbraw/zinc/75/54/77/860755477.db2.gz RYRSGCYCLZSPAR-UHFFFAOYSA-N -1 3 380.441 3.609 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000625046539 860774488 /nfs/dbraw/zinc/77/44/88/860774488.db2.gz KYQQOAUPYFYQJQ-OAHLLOKOSA-N -1 3 381.407 3.910 20 0 GHADHM O=C(CSc1ccc(F)c(F)c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000509073040 860801072 /nfs/dbraw/zinc/80/10/72/860801072.db2.gz YJSCNLYBAWDKNR-UHFFFAOYSA-N -1 3 398.232 3.528 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000474824223 860819360 /nfs/dbraw/zinc/81/93/60/860819360.db2.gz FUHVADAPZOSPSY-UHFFFAOYSA-N -1 3 384.339 3.625 20 0 GHADHM CCO[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(C)C ZINC000623343031 860889190 /nfs/dbraw/zinc/88/91/90/860889190.db2.gz ZZZKJEBNDOVXHT-IBGZPJMESA-N -1 3 390.505 3.795 20 0 GHADHM Cc1[nH]c(C(=O)Nc2ccc(Br)cc2[O-])c(C)c1C(=O)OC(C)C ZINC000603626486 860928312 /nfs/dbraw/zinc/92/83/12/860928312.db2.gz FBTJQZXNYUYZDJ-UHFFFAOYSA-N -1 3 395.253 3.917 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000474828109 860953670 /nfs/dbraw/zinc/95/36/70/860953670.db2.gz DFACWLBWGYCGRJ-UHFFFAOYSA-N -1 3 393.881 3.637 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(-c2nc(C)no2)c(Cl)cc1Cl ZINC000603641239 860970029 /nfs/dbraw/zinc/97/00/29/860970029.db2.gz YCVMJJHTVZPTMZ-MRVPVSSYSA-N -1 3 378.281 3.819 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509101508 861042578 /nfs/dbraw/zinc/04/25/78/861042578.db2.gz ZVYFFWQTNNRZBJ-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)c(F)c1F ZINC000625159650 861052968 /nfs/dbraw/zinc/05/29/68/861052968.db2.gz DJWOYMLUTZOKAF-SSDOTTSWSA-N -1 3 386.367 3.788 20 0 GHADHM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364967 861073725 /nfs/dbraw/zinc/07/37/25/861073725.db2.gz RLRYLALWTMQAIE-NSHDSACASA-N -1 3 392.249 3.901 20 0 GHADHM CCc1ccccc1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365911 861074870 /nfs/dbraw/zinc/07/48/70/861074870.db2.gz YBUAYMKNNUBOOG-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000481338261 861106521 /nfs/dbraw/zinc/10/65/21/861106521.db2.gz JYYZIRPYEFAUOC-JSGCOSHPSA-N -1 3 399.559 3.640 20 0 GHADHM COc1cc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc(OC)c1[O-] ZINC000179281870 861130569 /nfs/dbraw/zinc/13/05/69/861130569.db2.gz GAUPXQNYRRFFLC-INIZCTEOSA-N -1 3 383.448 3.803 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)c(=O)c2c(OC)c1 ZINC000625211995 861155110 /nfs/dbraw/zinc/15/51/10/861155110.db2.gz JNNZBXIUDCTBQC-AWEZNQCLSA-N -1 3 394.471 3.641 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1[O-] ZINC000665527159 863104887 /nfs/dbraw/zinc/10/48/87/863104887.db2.gz KKESCOBAKOCQHM-UHFFFAOYSA-N -1 3 377.362 3.928 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CCC2)n1 ZINC000444076585 863318556 /nfs/dbraw/zinc/31/85/56/863318556.db2.gz VOXUIICXLTZDSF-UHFFFAOYSA-N -1 3 394.415 3.967 20 0 GHADHM C[C@@H](COCc1ccccc1)Oc1cccc([O-])c1I ZINC001227382380 863509959 /nfs/dbraw/zinc/50/99/59/863509959.db2.gz WBVMQZQIHGNIKY-LBPRGKRZSA-N -1 3 384.213 3.981 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cnc(OCc3ccccc3)cn2)s1 ZINC000428330785 863542885 /nfs/dbraw/zinc/54/28/85/863542885.db2.gz LRZUZQVVCQXCLT-UHFFFAOYSA-N -1 3 383.477 3.892 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N(CC1CC1)CC1CC1 ZINC000444219122 863693895 /nfs/dbraw/zinc/69/38/95/863693895.db2.gz LPYUXDSHEHOXCL-UHFFFAOYSA-N -1 3 375.266 3.553 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000606536809 863695168 /nfs/dbraw/zinc/69/51/68/863695168.db2.gz KUUHJPBGQRAFRA-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000444233059 863715138 /nfs/dbraw/zinc/71/51/38/863715138.db2.gz CYWHGSMMBGSTMR-PKOBYXMFSA-N -1 3 383.517 3.585 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606687879 863780818 /nfs/dbraw/zinc/78/08/18/863780818.db2.gz WPZMVYBPASATOB-GOSISDBHSA-N -1 3 378.419 3.963 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000058716505 881706157 /nfs/dbraw/zinc/70/61/57/881706157.db2.gz JLCKQNNIURLXRY-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM COc1cc(F)c([C@@H](C)[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)cc1OC ZINC000733989030 863905143 /nfs/dbraw/zinc/90/51/43/863905143.db2.gz GBDQYWDTYABHAH-LLVKDONJSA-N -1 3 397.349 3.504 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)nc3N)nc(=O)c2c1C ZINC000734030875 863941074 /nfs/dbraw/zinc/94/10/74/863941074.db2.gz IKIDIIYZENQSLY-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC1(Cl)Cl)c1cc(Cl)ccc1OC(F)F ZINC000856752152 881720302 /nfs/dbraw/zinc/72/03/02/881720302.db2.gz IGBXAPYPFZJEHL-ZETCQYMHSA-N -1 3 394.654 3.804 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@@H](C)c3ccccn3)c2)cc1 ZINC000159151355 864046578 /nfs/dbraw/zinc/04/65/78/864046578.db2.gz OZWAFIYCRYDEOT-INIZCTEOSA-N -1 3 397.500 3.742 20 0 GHADHM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cc2)n1 ZINC000607104058 864070207 /nfs/dbraw/zinc/07/02/07/864070207.db2.gz ZLPGQWWXXDCPTM-INIZCTEOSA-N -1 3 393.534 3.555 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000621562631 864254201 /nfs/dbraw/zinc/25/42/01/864254201.db2.gz PEOMVJRMNUVZBS-UHFFFAOYSA-N -1 3 394.393 3.823 20 0 GHADHM CCCCOc1ccc([C@@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1OC ZINC000554413167 864284036 /nfs/dbraw/zinc/28/40/36/864284036.db2.gz ZMYTZKZQWHKXJP-OAHLLOKOSA-N -1 3 382.464 3.826 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000444325906 864337964 /nfs/dbraw/zinc/33/79/64/864337964.db2.gz YSQHROHWJDEEHL-ZFWWWQNUSA-N -1 3 376.453 3.545 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120792040 881755248 /nfs/dbraw/zinc/75/52/48/881755248.db2.gz AOQAZZGAFLSQQD-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120792040 881755259 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3.960 20 0 GHADHM Cc1nc(C)c(CC(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)c(=O)[n-]1 ZINC000155043493 867724278 /nfs/dbraw/zinc/72/42/78/867724278.db2.gz CFNQKJKNPOWSQL-UHFFFAOYSA-N -1 3 381.520 3.812 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000743046839 867779509 /nfs/dbraw/zinc/77/95/09/867779509.db2.gz NAECAEGBTHGWOV-KBPBESRZSA-N -1 3 378.469 3.549 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000620877552 867843716 /nfs/dbraw/zinc/84/37/16/867843716.db2.gz NZALIOFCYCSREF-UHFFFAOYSA-N -1 3 376.478 3.505 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc(C[S@](C)=O)c3)cc2)cc(=O)[n-]1 ZINC000523736030 867873602 /nfs/dbraw/zinc/87/36/02/867873602.db2.gz LDDFBTXUICGUJL-NDEPHWFRSA-N -1 3 396.472 3.680 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1c(F)cccc1OC(F)(F)F ZINC000553776543 868179121 /nfs/dbraw/zinc/17/91/21/868179121.db2.gz RPNRELGNURNLKG-UHFFFAOYSA-N -1 3 389.779 3.918 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000155926035 868186443 /nfs/dbraw/zinc/18/64/43/868186443.db2.gz LSQFKSLJBVVFSB-LLVKDONJSA-N -1 3 382.424 3.612 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)nn1 ZINC000479614995 868216527 /nfs/dbraw/zinc/21/65/27/868216527.db2.gz HWKNZVBTXYUMGW-UHFFFAOYSA-N -1 3 386.525 3.605 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000154743384 868221771 /nfs/dbraw/zinc/22/17/71/868221771.db2.gz FEUNAMUSAWZPKW-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(F)c1 ZINC000128304378 868230613 /nfs/dbraw/zinc/23/06/13/868230613.db2.gz APBLLLAEQKHLFI-ZDUSSCGKSA-N -1 3 378.762 3.896 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccnc1C(F)(F)F ZINC000553892981 868401999 /nfs/dbraw/zinc/40/19/99/868401999.db2.gz JNQTVJQAZZFWIN-AULYBMBSSA-N -1 3 390.814 3.978 20 0 GHADHM C[C@H]1CN(Cc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)C[C@H](C)O1 ZINC000445469559 868474380 /nfs/dbraw/zinc/47/43/80/868474380.db2.gz BNYNFCXHIJWJGO-KBPBESRZSA-N -1 3 383.423 3.858 20 0 GHADHM COc1cc(C)nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000535255421 868478515 /nfs/dbraw/zinc/47/85/15/868478515.db2.gz PNAYCPOFGRZTNL-UHFFFAOYSA-N -1 3 379.445 3.525 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000648431260 882208847 /nfs/dbraw/zinc/20/88/47/882208847.db2.gz OJYGLFPELGPLKZ-VHSXEESVSA-N -1 3 378.181 3.916 20 0 GHADHM Cc1cnn(-c2ccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)c1 ZINC000744217688 868672501 /nfs/dbraw/zinc/67/25/01/868672501.db2.gz YEHVLZXJRCMSQE-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM COCc1nc2sc(C(=O)[N-]c3cc(F)cc(F)c3F)c(C)c2c(OC)n1 ZINC000554072523 868674825 /nfs/dbraw/zinc/67/48/25/868674825.db2.gz GGCMSEGQDRKYOI-UHFFFAOYSA-N -1 3 397.378 3.824 20 0 GHADHM O=C([N-][C@@H](c1cncc(Br)c1)C1CC1)C(F)(F)c1nccs1 ZINC000793482983 882219315 /nfs/dbraw/zinc/21/93/15/882219315.db2.gz IDWDDCCKGGNGOL-LLVKDONJSA-N -1 3 388.237 3.660 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000535421733 868722044 /nfs/dbraw/zinc/72/20/44/868722044.db2.gz KSDBLZMRMBYZQM-QGZVFWFLSA-N -1 3 393.846 3.647 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cnc(C(F)(F)F)nc1 ZINC000157690348 868735146 /nfs/dbraw/zinc/73/51/46/868735146.db2.gz YQCXKPVVUSFTDG-UHFFFAOYSA-N -1 3 399.785 3.843 20 0 GHADHM COc1ccc(C2(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)CCC2)cc1 ZINC000648432819 882221124 /nfs/dbraw/zinc/22/11/24/882221124.db2.gz IVKBCTOXWRVRBF-UHFFFAOYSA-N -1 3 387.789 3.590 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccnc1N1CCCCC1 ZINC000535413089 868736272 /nfs/dbraw/zinc/73/62/72/868736272.db2.gz QZKYFTKXNJGEKU-UHFFFAOYSA-N -1 3 376.254 3.792 20 0 GHADHM Cc1cscc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000445627456 868736851 /nfs/dbraw/zinc/73/68/51/868736851.db2.gz CKWOWZPJYBWQTQ-UHFFFAOYSA-N -1 3 381.454 3.599 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000621122457 868758686 /nfs/dbraw/zinc/75/86/86/868758686.db2.gz QJOJTDINBJRUTG-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000621122457 868758704 /nfs/dbraw/zinc/75/87/04/868758704.db2.gz QJOJTDINBJRUTG-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(C)cc3OC(F)F)nc21 ZINC000157790615 868761577 /nfs/dbraw/zinc/76/15/77/868761577.db2.gz KZMQNRHRMUYGKH-UHFFFAOYSA-N -1 3 381.360 3.573 20 0 GHADHM COc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(OC(C)C)c1 ZINC000648432203 882227297 /nfs/dbraw/zinc/22/72/97/882227297.db2.gz TVMIMIIEPLSTCH-UHFFFAOYSA-N -1 3 391.777 3.569 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)[n-]1 ZINC000763643192 868867943 /nfs/dbraw/zinc/86/79/43/868867943.db2.gz SCOONGJWTQTOSH-XFFZJAGNSA-N -1 3 387.745 3.824 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)c[n-]1 ZINC000763643192 868867956 /nfs/dbraw/zinc/86/79/56/868867956.db2.gz SCOONGJWTQTOSH-XFFZJAGNSA-N -1 3 387.745 3.824 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2F)c([O-])c1 ZINC000535543904 868947341 /nfs/dbraw/zinc/94/73/41/868947341.db2.gz YICIRMOQOYRCPL-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM Cc1cc(-c2noc(CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)c(C)o1 ZINC000445835192 869046445 /nfs/dbraw/zinc/04/64/45/869046445.db2.gz XUHUDCILZWYIKI-UHFFFAOYSA-N -1 3 391.449 3.676 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 ZINC000445860987 869062769 /nfs/dbraw/zinc/06/27/69/869062769.db2.gz IEGHQIJVZFFGTI-UHFFFAOYSA-N -1 3 383.857 3.664 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)NC1CCCCC1 ZINC000857442563 882266760 /nfs/dbraw/zinc/26/67/60/882266760.db2.gz KOKUAMGSMRUFDD-UHFFFAOYSA-N -1 3 379.234 3.650 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)s1 ZINC000462339111 869253576 /nfs/dbraw/zinc/25/35/76/869253576.db2.gz VEUZIQIUTYYAGH-UHFFFAOYSA-N -1 3 390.299 3.926 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCOCC1)c1ccc(F)cc1F ZINC000122269109 869321496 /nfs/dbraw/zinc/32/14/96/869321496.db2.gz ZCWQIJFWMFTWMM-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1[O-] ZINC000745656266 869703476 /nfs/dbraw/zinc/70/34/76/869703476.db2.gz SLCCXXWNBVNKLU-UHFFFAOYSA-N -1 3 398.198 3.917 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)cc1[O-] ZINC000745650970 869719921 /nfs/dbraw/zinc/71/99/21/869719921.db2.gz PXWWDGIGCHNJHV-CQSZACIVSA-N -1 3 385.416 3.924 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)cc1[O-] ZINC000745652709 869722827 /nfs/dbraw/zinc/72/28/27/869722827.db2.gz LUPASVNOELLDED-VIFPVBQESA-N -1 3 389.389 3.600 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@H](C)CC ZINC000462591781 869723436 /nfs/dbraw/zinc/72/34/36/869723436.db2.gz ORHQLJZLYHTOCA-RNCFNFMXSA-N -1 3 382.309 3.558 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1c2ccccc2CCC[C@H]1C ZINC000462672148 869901578 /nfs/dbraw/zinc/90/15/78/869901578.db2.gz CNALTUISVBYWFU-BFUOFWGJSA-N -1 3 391.464 3.604 20 0 GHADHM CN1CCCc2cc([N-]S(=O)(=O)c3cccc(Br)c3)ccc21 ZINC000920756746 882358466 /nfs/dbraw/zinc/35/84/66/882358466.db2.gz ACTPQUMKWABPBX-UHFFFAOYSA-N -1 3 381.295 3.632 20 0 GHADHM CCC1(C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000462740829 870000224 /nfs/dbraw/zinc/00/02/24/870000224.db2.gz JIKZKXWGKLEISK-UHFFFAOYSA-N -1 3 383.673 3.816 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)c1 ZINC000446605061 870080504 /nfs/dbraw/zinc/08/05/04/870080504.db2.gz OEUYBOJOAGKYOU-MRXNPFEDSA-N -1 3 375.472 3.854 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000525237714 870230366 /nfs/dbraw/zinc/23/03/66/870230366.db2.gz YJESVIKFRCODNP-UHFFFAOYSA-N -1 3 377.187 3.929 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(Cl)c(F)cc3F)c2)o1 ZINC001192267595 870252749 /nfs/dbraw/zinc/25/27/49/870252749.db2.gz VKRWGYMDLVBOEA-UHFFFAOYSA-N -1 3 385.779 3.777 20 0 GHADHM Cc1nc(C)c(CC(=O)NC2(c3c(Cl)cccc3Cl)CCC2)c(=O)[n-]1 ZINC000446726591 870271580 /nfs/dbraw/zinc/27/15/80/870271580.db2.gz PFDMUEIYGKWFLG-UHFFFAOYSA-N -1 3 380.275 3.844 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(Br)n1 ZINC001192318168 870283843 /nfs/dbraw/zinc/28/38/43/870283843.db2.gz YMALYBRYMVXUBV-UHFFFAOYSA-N -1 3 390.690 3.619 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001192322888 870288009 /nfs/dbraw/zinc/28/80/09/870288009.db2.gz RFRPVOGQKCJEKU-SNVBAGLBSA-N -1 3 382.386 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192326630 870290970 /nfs/dbraw/zinc/29/09/70/870290970.db2.gz NWIMCGURAKUBEG-SJORKVTESA-N -1 3 388.508 3.914 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cc(I)ccc2[O-])cc1C=O ZINC000793736595 882397483 /nfs/dbraw/zinc/39/74/83/882397483.db2.gz YVHOYJJRXRGEIM-UHFFFAOYSA-N -1 3 395.196 3.678 20 0 GHADHM Cc1nc(-c2ccc(Nc3ccc(N4CCCCC4)nc3)nc2)[n-]c(=O)c1C ZINC000462931482 870439135 /nfs/dbraw/zinc/43/91/35/870439135.db2.gz NGMDIZNCQZERGZ-UHFFFAOYSA-N -1 3 376.464 3.990 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(Cl)nc1C(F)(F)F ZINC001192484136 870458185 /nfs/dbraw/zinc/45/81/85/870458185.db2.gz FHUJFTVFQQXGPH-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM C[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C ZINC000248579635 870511402 /nfs/dbraw/zinc/51/14/02/870511402.db2.gz PVROOSHCKYBRHF-LLGFUMIMSA-N -1 3 380.488 3.900 20 0 GHADHM COc1ccc(-c2cnc(COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)o2)cc1 ZINC000920895922 882419372 /nfs/dbraw/zinc/41/93/72/882419372.db2.gz JKFIPEMXQJOIDS-UHFFFAOYSA-N -1 3 379.372 3.999 20 0 GHADHM COc1ccc(-c2cnc(COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)o2)cc1 ZINC000920895922 882419379 /nfs/dbraw/zinc/41/93/79/882419379.db2.gz JKFIPEMXQJOIDS-UHFFFAOYSA-N -1 3 379.372 3.999 20 0 GHADHM O=C([N-]c1noc2nccnc12)c1c(Br)cccc1C(F)(F)F ZINC001192629821 870577802 /nfs/dbraw/zinc/57/78/02/870577802.db2.gz YWPWPCOIHVHSLB-UHFFFAOYSA-N -1 3 387.115 3.651 20 0 GHADHM CCOc1cc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)ccc1Cl ZINC001212578239 870586687 /nfs/dbraw/zinc/58/66/87/870586687.db2.gz SOVDFVMCNVPUDA-UHFFFAOYSA-N -1 3 381.860 3.920 20 0 GHADHM CSCc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1F ZINC000174133526 882430448 /nfs/dbraw/zinc/43/04/48/882430448.db2.gz FMYGBFJXODPCIW-UHFFFAOYSA-N -1 3 383.448 4.000 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)cc1Cl ZINC000538821222 870689933 /nfs/dbraw/zinc/68/99/33/870689933.db2.gz ZBVYBEAYWDAJES-UHFFFAOYSA-N -1 3 376.771 3.590 20 0 GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CC1 ZINC001192829986 870702560 /nfs/dbraw/zinc/70/25/60/870702560.db2.gz RQYYEYANBXOLPG-UHFFFAOYSA-N -1 3 388.942 3.964 20 0 GHADHM COc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)[n-]1 ZINC000538837308 870717292 /nfs/dbraw/zinc/71/72/92/870717292.db2.gz DWKJZJYWSROEFL-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1nc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n[n-]1 ZINC000538837308 870717301 /nfs/dbraw/zinc/71/73/01/870717301.db2.gz DWKJZJYWSROEFL-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1n[n-]c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n1 ZINC000538837308 870717314 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C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCC(F)CC1 ZINC001193039754 870833590 /nfs/dbraw/zinc/83/35/90/870833590.db2.gz CMQNUHKRIRHSNL-KPPDAEKUSA-N -1 3 387.370 3.919 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000122224310 882448998 /nfs/dbraw/zinc/44/89/98/882448998.db2.gz MGVRYVXGTSBGAO-UHFFFAOYSA-N -1 3 394.471 3.871 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775567336 870860401 /nfs/dbraw/zinc/86/04/01/870860401.db2.gz DCPUVFJKSRUCLV-MAUKXSAKSA-N -1 3 375.469 3.589 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775567336 870860407 /nfs/dbraw/zinc/86/04/07/870860407.db2.gz DCPUVFJKSRUCLV-MAUKXSAKSA-N -1 3 375.469 3.589 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Nc1cccc2ccccc21 ZINC000509634511 871043962 /nfs/dbraw/zinc/04/39/62/871043962.db2.gz OHWYLFZIQBLYHV-UHFFFAOYSA-N -1 3 392.839 3.549 20 0 GHADHM COc1cc(NC(=O)c2ccccc2)c(C)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193514636 871153491 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Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](c3ccc(O)cc3)C3CC3)cc2)n1 ZINC000667199833 871251708 /nfs/dbraw/zinc/25/17/08/871251708.db2.gz WXQCIOGJWRINKE-FQEVSTJZSA-N -1 3 389.455 3.973 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001193930601 871376297 /nfs/dbraw/zinc/37/62/97/871376297.db2.gz OYTQVZTYOXFTLH-UHFFFAOYSA-N -1 3 398.459 3.952 20 0 GHADHM Cc1cc(Cl)c(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)cc1C ZINC000181731740 871433725 /nfs/dbraw/zinc/43/37/25/871433725.db2.gz BGPDIUQUJRHNLO-UHFFFAOYSA-N -1 3 387.892 3.991 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(F)cc1NC(C)C)c2=O ZINC000540528971 871499615 /nfs/dbraw/zinc/49/96/15/871499615.db2.gz BDDGXARAWJDADJ-UHFFFAOYSA-N -1 3 387.386 3.888 20 0 GHADHM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118463 871500067 /nfs/dbraw/zinc/50/00/67/871500067.db2.gz MKYRJLNFVVXNRJ-ZDUSSCGKSA-N -1 3 389.323 3.595 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](CC(=O)OC(C)C)c3ccccc3)cc(=O)oc12 ZINC000181828946 871529990 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COC(=O)c1sc2[n-]c(CN3CC[C@H](c4ccccc4)[C@H]3C)nc(=O)c2c1C ZINC000253551866 871879358 /nfs/dbraw/zinc/87/93/58/871879358.db2.gz JQFTUSPCKSXCDP-HIFRSBDPSA-N -1 3 397.500 3.870 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)C[C@H]4CCC[C@H]4O)nc(=O)c3s2)cc1 ZINC000253555625 871879468 /nfs/dbraw/zinc/87/94/68/871879468.db2.gz GSWCNRDTNTYZKF-RHSMWYFYSA-N -1 3 399.516 3.665 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1ccccc1SCc1cscn1 ZINC000552069444 871976390 /nfs/dbraw/zinc/97/63/90/871976390.db2.gz SURZMZSEHMXREN-UHFFFAOYSA-N -1 3 395.307 3.595 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)c2)[n-]1 ZINC000447677357 872083437 /nfs/dbraw/zinc/08/34/37/872083437.db2.gz FRWKNZWBKNAFHZ-QAQDUYKDSA-N -1 3 398.507 3.727 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)c2)n[n-]1 ZINC000447677357 872083458 /nfs/dbraw/zinc/08/34/58/872083458.db2.gz FRWKNZWBKNAFHZ-QAQDUYKDSA-N -1 3 398.507 3.727 20 0 GHADHM CC[C@](NC(=O)c1cc([O-])ccc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC000552119193 872091304 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CCC(CC)n1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000133930126 882613363 /nfs/dbraw/zinc/61/33/63/882613363.db2.gz NCMNJDSYIANOGO-UHFFFAOYSA-N -1 3 380.286 3.951 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(F)c1)c1cc(Br)ccc1F ZINC001195495138 872447017 /nfs/dbraw/zinc/44/70/17/872447017.db2.gz SCSMTIOJNARPLO-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cnccc21)c1cc(Br)ccc1F ZINC001195506080 872456262 /nfs/dbraw/zinc/45/62/62/872456262.db2.gz JETSUMIWZXPJHW-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM NC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC001129366111 872514782 /nfs/dbraw/zinc/51/47/82/872514782.db2.gz YVDSLERDYGNLKK-AWEZNQCLSA-N -1 3 387.213 3.818 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C)n1 ZINC000175767727 882624494 /nfs/dbraw/zinc/62/44/94/882624494.db2.gz LCBLVADUDDCAAX-UHFFFAOYSA-N -1 3 387.867 3.548 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccn2)cc1Cl ZINC001195663707 872571136 /nfs/dbraw/zinc/57/11/36/872571136.db2.gz YPGGYKIVXHYDMP-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccn2)cc1Cl ZINC001195663707 872571144 /nfs/dbraw/zinc/57/11/44/872571144.db2.gz YPGGYKIVXHYDMP-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM C[C@H](C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000182607779 872605655 /nfs/dbraw/zinc/60/56/55/872605655.db2.gz VIPCGAUEHQRENV-JTQLQIEISA-N -1 3 381.657 3.667 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2Nc2cccc(OC)c2)[n-]1 ZINC000619447305 872635115 /nfs/dbraw/zinc/63/51/15/872635115.db2.gz TWVXZTZAZBRSFT-UHFFFAOYSA-N -1 3 380.404 3.591 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2Nc2cccc(OC)c2)c[n-]1 ZINC000619447305 872635124 /nfs/dbraw/zinc/63/51/24/872635124.db2.gz TWVXZTZAZBRSFT-UHFFFAOYSA-N -1 3 380.404 3.591 20 0 GHADHM COc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c2)cc1 ZINC001195803249 872675183 /nfs/dbraw/zinc/67/51/83/872675183.db2.gz WXJKNAOQCHZWBP-UHFFFAOYSA-N -1 3 385.441 3.781 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1NC(=O)OC(C)(C)C 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Cc1cc(O)cc(C)c1NC(=O)c1cc([O-])cc(I)c1 ZINC001196417836 873101200 /nfs/dbraw/zinc/10/12/00/873101200.db2.gz VKLSQMWSXJAPBR-UHFFFAOYSA-N -1 3 383.185 3.572 20 0 GHADHM O=C(CCSc1ccc(Br)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499461 873220013 /nfs/dbraw/zinc/22/00/13/873220013.db2.gz FNTBBKHRMLVZPW-CQSZACIVSA-N -1 3 396.310 3.567 20 0 GHADHM O=C(Nc1cccc(COCC2CC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000115944026 873225565 /nfs/dbraw/zinc/22/55/65/873225565.db2.gz BVGRQRGADYARMU-FQEVSTJZSA-N -1 3 394.471 3.562 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2nc(C3CCCCC3)cs2)cc1 ZINC000768457994 873324070 /nfs/dbraw/zinc/32/40/70/873324070.db2.gz LTWHLSCHEAQLTE-UHFFFAOYSA-N -1 3 394.518 3.919 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000134051258 882711292 /nfs/dbraw/zinc/71/12/92/882711292.db2.gz GVRMRLOATYJGKM-UHFFFAOYSA-N -1 3 387.238 3.542 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2s1 ZINC000464173585 873338126 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O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cnc2c(C3CCC3)cnn2c1 ZINC001197649306 873947486 /nfs/dbraw/zinc/94/74/86/873947486.db2.gz KDAYAAQYGWDLSS-UHFFFAOYSA-N -1 3 394.859 3.731 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3CC(O)(CCC(C)(C)C)C3)cc2)n1 ZINC000448799848 874005401 /nfs/dbraw/zinc/00/54/01/874005401.db2.gz YEJBTRYKIQZORX-UHFFFAOYSA-N -1 3 383.492 3.651 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197749372 874025049 /nfs/dbraw/zinc/02/50/49/874025049.db2.gz HWIMFSVUUVNJBA-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134217195 882787983 /nfs/dbraw/zinc/78/79/83/882787983.db2.gz XVQDDMRYJGNQTH-KRWDZBQOSA-N -1 3 392.377 3.886 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134220236 882791161 /nfs/dbraw/zinc/79/11/61/882791161.db2.gz PKXGTIMCWCIXLB-INIZCTEOSA-N -1 3 398.356 3.943 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000448849684 874077040 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GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@H]3C(C)C)c2)c1 ZINC000775978862 875007439 /nfs/dbraw/zinc/00/74/39/875007439.db2.gz WBWGTALEJYEBQC-IBGZPJMESA-N -1 3 398.459 3.532 20 0 GHADHM CC[C@@H](c1ccc(Br)cc1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000542196896 875157771 /nfs/dbraw/zinc/15/77/71/875157771.db2.gz MRXRSFLQNLHERC-KRWDZBQOSA-N -1 3 383.330 3.773 20 0 GHADHM CCc1cc2c(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)cc(=O)oc2cc1[O-] ZINC000776027576 875199461 /nfs/dbraw/zinc/19/94/61/875199461.db2.gz FBLPFCUSZQBGAW-LJQANCHMSA-N -1 3 375.465 3.517 20 0 GHADHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc([O-])cc(Br)c1)CC2 ZINC000528903116 875266144 /nfs/dbraw/zinc/26/61/44/875266144.db2.gz WSKBJQWISPSTNY-UHFFFAOYSA-N -1 3 388.261 3.598 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000528959997 875348247 /nfs/dbraw/zinc/34/82/47/875348247.db2.gz MPXYKZDFWULSIQ-GTNSWQLSSA-N -1 3 394.265 3.669 20 0 GHADHM COc1cc(CNC(=S)Nc2ccc(-n3cccn3)cc2)cc(Cl)c1[O-] ZINC001200892490 875361913 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O=S(=O)([N-]c1ncc(F)cc1Cl)c1ccc(Oc2ccncc2)cc1 ZINC001201598801 875750498 /nfs/dbraw/zinc/75/04/98/875750498.db2.gz QAZLLCVIWQVFRK-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COc1cccc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1OC ZINC000746529319 875754862 /nfs/dbraw/zinc/75/48/62/875754862.db2.gz OPPAOHZOMRJAPK-UHFFFAOYSA-N -1 3 383.366 3.903 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)nnc1Cl)c1ccc(Oc2ccncc2)cc1 ZINC001201594435 875773330 /nfs/dbraw/zinc/77/33/30/875773330.db2.gz HQXKMJUJDNFOLR-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]c2csc3ccccc23)C1 ZINC001201651287 875814858 /nfs/dbraw/zinc/81/48/58/875814858.db2.gz JCDAVDCYOFUQOX-LBPRGKRZSA-N -1 3 382.507 3.652 20 0 GHADHM COc1ccc(CN(Cc2ccccc2)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000491645183 875868830 /nfs/dbraw/zinc/86/88/30/875868830.db2.gz GJZHSVOENKLEDL-UHFFFAOYSA-N -1 3 391.471 3.579 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201935901 875928986 /nfs/dbraw/zinc/92/89/86/875928986.db2.gz HBSJLXLCUYYYQN-GXTWGEPZSA-N -1 3 394.212 3.674 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000450084377 875964162 /nfs/dbraw/zinc/96/41/62/875964162.db2.gz HZQQPKNNWAGISF-OAHLLOKOSA-N -1 3 378.350 3.654 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCN(c2ccccc2F)CC1 ZINC000529375081 876062541 /nfs/dbraw/zinc/06/25/41/876062541.db2.gz BTDWZUZHYGFMCM-UHFFFAOYSA-N -1 3 393.256 3.646 20 0 GHADHM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cc2O1 ZINC000785490123 876073114 /nfs/dbraw/zinc/07/31/14/876073114.db2.gz WJKLJZYVGOKCFV-IBGZPJMESA-N -1 3 375.446 3.710 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000123045384 882995803 /nfs/dbraw/zinc/99/58/03/882995803.db2.gz VUWCADOKCUZEJE-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1csc([C@H]2CCN(C(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)C2)n1 ZINC000913802402 876116564 /nfs/dbraw/zinc/11/65/64/876116564.db2.gz UFIFTUYPSAIZSU-NSHDSACASA-N -1 3 394.522 3.885 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)cc1Cl ZINC000173282893 876294369 /nfs/dbraw/zinc/29/43/69/876294369.db2.gz WHMGOYDFRQHBPA-JTQLQIEISA-N -1 3 376.881 3.685 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CCC(C)(C)CC2)cc1Cl ZINC000173304670 876304802 /nfs/dbraw/zinc/30/48/02/876304802.db2.gz PYWQOWRRVZYJAL-UHFFFAOYSA-N -1 3 376.881 3.685 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc4ccccc4oc3=O)nc(=O)c2c1C ZINC000006371274 876366476 /nfs/dbraw/zinc/36/64/76/876366476.db2.gz AYNSBPOTULSLLE-SNVBAGLBSA-N -1 3 396.424 3.626 20 0 GHADHM Cc1sc2nc(Sc3cc(Cl)nc(=O)[n-]3)n(C(C)C)c(=O)c2c1C ZINC000858321557 883022959 /nfs/dbraw/zinc/02/29/59/883022959.db2.gz JGBJUBQQBPLCBD-UHFFFAOYSA-N -1 3 382.898 3.956 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cn(CC(C)C)nc2C(F)F)c([O-])c1 ZINC000450404625 876385185 /nfs/dbraw/zinc/38/51/85/876385185.db2.gz CNZHRJLCHBSDKL-UHFFFAOYSA-N -1 3 381.379 3.611 20 0 GHADHM CCN1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450405051 876386935 /nfs/dbraw/zinc/38/69/35/876386935.db2.gz OLAVGGZSDCMRIM-FXAWDEMLSA-N -1 3 394.849 3.818 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(CCCOC(C)=O)c2)cc1C ZINC000786096544 876440735 /nfs/dbraw/zinc/44/07/35/876440735.db2.gz LDFIRIRNGCBQNS-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000450462381 876442611 /nfs/dbraw/zinc/44/26/11/876442611.db2.gz ZTNZQTLQNNWERZ-MRXNPFEDSA-N -1 3 386.471 3.646 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC[C@@H]1c1ccccc1 ZINC000173552274 876466429 /nfs/dbraw/zinc/46/64/29/876466429.db2.gz GWACMWDOZKHDPX-YOEHRIQHSA-N -1 3 377.444 3.618 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786139443 876467871 /nfs/dbraw/zinc/46/78/71/876467871.db2.gz HJBGYNPAEMIHTO-LBPRGKRZSA-N -1 3 385.441 3.650 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000786135606 876501071 /nfs/dbraw/zinc/50/10/71/876501071.db2.gz CYACRHUJDKKPSP-LBPRGKRZSA-N -1 3 384.457 3.857 20 0 GHADHM O=C(OCCCS(=O)(=O)c1ccc(F)cc1)c1cc2sccc2c([O-])c1 ZINC000786137269 876502157 /nfs/dbraw/zinc/50/21/57/876502157.db2.gz KLXCFAJXUZYWDD-UHFFFAOYSA-N -1 3 394.445 3.767 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccc(OC)cc1 ZINC000179993381 883042601 /nfs/dbraw/zinc/04/26/01/883042601.db2.gz DIPHDKZKPFXCAY-IBGZPJMESA-N -1 3 377.444 3.886 20 0 GHADHM O=C(Nc1cccc(C2CCOCC2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000529935818 876862233 /nfs/dbraw/zinc/86/22/33/876862233.db2.gz OCECNDCUJLPAHK-HXUWFJFHSA-N -1 3 394.471 3.530 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000746599485 876894666 /nfs/dbraw/zinc/89/46/66/876894666.db2.gz ZKELCKBCBPWAMP-LLVKDONJSA-N -1 3 396.310 3.822 20 0 GHADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000786763556 876916316 /nfs/dbraw/zinc/91/63/16/876916316.db2.gz IVCNOHSLJZURRM-PWSUYJOCSA-N -1 3 399.285 3.739 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C[C@@H]3C(=O)Nc4ccccc43)nc(=O)c2c1C ZINC000746610106 876976166 /nfs/dbraw/zinc/97/61/66/876976166.db2.gz MLHAONMAAPXXTC-GWCFXTLKSA-N -1 3 397.456 3.744 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN[C@@H]2CC(C)(C)c3ccccc32)n1 ZINC000850576721 877045974 /nfs/dbraw/zinc/04/59/74/877045974.db2.gz QGOSMQYJDWEWJJ-QGZVFWFLSA-N -1 3 398.507 3.719 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000786977668 877083026 /nfs/dbraw/zinc/08/30/26/877083026.db2.gz CHQWOIKKBLYIBC-HUUCEWRRSA-N -1 3 394.487 3.710 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000530133975 877179014 /nfs/dbraw/zinc/17/90/14/877179014.db2.gz MYGCFCYMLYTKBQ-GOSISDBHSA-N -1 3 394.468 3.612 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC001212265336 877291484 /nfs/dbraw/zinc/29/14/84/877291484.db2.gz YWBQJKBDIYTRIJ-MRVPVSSYSA-N -1 3 382.404 3.903 20 0 GHADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152259889 877484170 /nfs/dbraw/zinc/48/41/70/877484170.db2.gz SIYRXSHZTXZIOM-UHFFFAOYSA-N -1 3 392.377 3.844 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)n1 ZINC000477366633 877520796 /nfs/dbraw/zinc/52/07/96/877520796.db2.gz RTUBSMZZJOSFPZ-MRXNPFEDSA-N -1 3 375.469 3.621 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000137210453 877521463 /nfs/dbraw/zinc/52/14/63/877521463.db2.gz VLDAJAFYECLVPK-UHFFFAOYSA-N -1 3 381.363 3.626 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)OCC(=O)[N-]C(=O)c3cccs3)ccc2c1 ZINC000007832549 877601461 /nfs/dbraw/zinc/60/14/61/877601461.db2.gz IVRHKKNFZJXMRO-ZDUSSCGKSA-N -1 3 397.452 3.513 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000193467955 877601769 /nfs/dbraw/zinc/60/17/69/877601769.db2.gz ZPYVCYVYTQNVTI-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM Cc1sc(NC(=O)c2nnc3ccccc3c2[O-])nc1-c1ccc(F)cc1 ZINC000109941883 877627733 /nfs/dbraw/zinc/62/77/33/877627733.db2.gz BRWNEFUIEIGJST-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM O=C(NCc1ccccc1COCc1ccccc1)c1nnc2ccccc2c1[O-] ZINC000109948786 877630469 /nfs/dbraw/zinc/63/04/69/877630469.db2.gz NXZCHJONKQZITR-UHFFFAOYSA-N -1 3 399.450 3.570 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787842611 877659170 /nfs/dbraw/zinc/65/91/70/877659170.db2.gz HPRAJTDIOFXMAX-HNNXBMFYSA-N -1 3 387.451 3.837 20 0 GHADHM Cc1ccccc1Cc1nc(COC(=O)CCCc2ccc([O-])c(F)c2)no1 ZINC000787847381 877666367 /nfs/dbraw/zinc/66/63/67/877666367.db2.gz DHVFLZAHKNWYOX-UHFFFAOYSA-N -1 3 384.407 3.880 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ncc(Br)s1 ZINC000788502056 878108253 /nfs/dbraw/zinc/10/82/53/878108253.db2.gz HKRQDMYRHUUAEF-UHFFFAOYSA-N -1 3 377.263 3.849 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccnc1N1CCCCC1 ZINC000615838131 878155870 /nfs/dbraw/zinc/15/58/70/878155870.db2.gz MIFLJEGQZXNNBM-UHFFFAOYSA-N -1 3 376.254 3.792 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1C ZINC000530665679 878260093 /nfs/dbraw/zinc/26/00/93/878260093.db2.gz NXJRAVOBFGEODV-UHFFFAOYSA-N -1 3 386.477 3.596 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Br)c(F)c2)c([O-])c1 ZINC000537769498 878271032 /nfs/dbraw/zinc/27/10/32/878271032.db2.gz YSDYAVPUHRLGGN-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@H](C)C1CCCCC1 ZINC000176695112 878357824 /nfs/dbraw/zinc/35/78/24/878357824.db2.gz IRFQUOXBBMSZFN-HOTGVXAUSA-N -1 3 396.535 3.794 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCO[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000530728937 878358603 /nfs/dbraw/zinc/35/86/03/878358603.db2.gz SRMBISNFMZCFEO-UZLBHIALSA-N -1 3 384.480 3.730 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1Br ZINC000537836565 878361601 /nfs/dbraw/zinc/36/16/01/878361601.db2.gz GVXVMNQFZYAJDN-UHFFFAOYSA-N -1 3 398.278 3.584 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1[O-] ZINC000530716851 878374933 /nfs/dbraw/zinc/37/49/33/878374933.db2.gz ZLTPDCRTLKAWBN-UHFFFAOYSA-N -1 3 395.503 3.940 20 0 GHADHM CCOc1cc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc(Cl)c1[O-] ZINC000788843787 878379660 /nfs/dbraw/zinc/37/96/60/878379660.db2.gz QVNKYWDZNOLDQJ-HNNXBMFYSA-N -1 3 393.867 3.511 20 0 GHADHM CCc1cccc(C(=O)N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c1[O-] ZINC000616046962 878464469 /nfs/dbraw/zinc/46/44/69/878464469.db2.gz WOTIJYHANGFGBG-UHFFFAOYSA-N -1 3 376.460 3.760 20 0 GHADHM CCc1noc(C)c1CN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672443 878509091 /nfs/dbraw/zinc/50/90/91/878509091.db2.gz CABFGXHXHRPKTD-CRAIPNDOSA-N -1 3 395.425 3.582 20 0 GHADHM C[C@@H](CCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])OCc1ccccc1 ZINC000789024978 878548939 /nfs/dbraw/zinc/54/89/39/878548939.db2.gz LGFRTHBYZHFLBK-PXNSSMCTSA-N -1 3 397.471 3.535 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000460840167 878652868 /nfs/dbraw/zinc/65/28/68/878652868.db2.gz OXBORGAUTQIZJL-UHFFFAOYSA-N -1 3 397.456 3.657 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000538011382 878671769 /nfs/dbraw/zinc/67/17/69/878671769.db2.gz NDKRQGCSMAPZOY-IBGZPJMESA-N -1 3 391.489 3.832 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180348413 878799865 /nfs/dbraw/zinc/79/98/65/878799865.db2.gz IUKQWFRHAYRVEX-UHFFFAOYSA-N -1 3 380.199 3.927 20 0 GHADHM COCCCOc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000530952502 878832709 /nfs/dbraw/zinc/83/27/09/878832709.db2.gz BBNCRWDTIDCSIU-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000538119346 878842095 /nfs/dbraw/zinc/84/20/95/878842095.db2.gz FSTZDQXXTCFVDE-CJNGLKHVSA-N -1 3 390.263 3.941 20 0 GHADHM CC(=O)Nc1cccc2c1CN(Cc1cccc([O-])c1Br)CC2 ZINC001183291940 912398115 /nfs/dbraw/zinc/39/81/15/912398115.db2.gz NFNQOGCALGOTKV-UHFFFAOYSA-N -1 3 375.266 3.671 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c1 ZINC000616543056 878927637 /nfs/dbraw/zinc/92/76/37/878927637.db2.gz JLDWBOWXLQZDIN-DOMZBBRYSA-N -1 3 387.505 3.715 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2cccs2)on1 ZINC000178021745 878953941 /nfs/dbraw/zinc/95/39/41/878953941.db2.gz KZIRYYVVSKSWLQ-UHFFFAOYSA-N -1 3 379.235 3.801 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000531103354 879135426 /nfs/dbraw/zinc/13/54/26/879135426.db2.gz COGQHMICRSIBMU-CRAIPNDOSA-N -1 3 393.516 3.584 20 0 GHADHM CC1(F)CC(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000452277169 879208287 /nfs/dbraw/zinc/20/82/87/879208287.db2.gz NPEJVMCHGIHQMM-UHFFFAOYSA-N -1 3 387.636 3.564 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1Br ZINC000493367875 879399160 /nfs/dbraw/zinc/39/91/60/879399160.db2.gz WEKNCLHOQQJKFL-YPMHNXCESA-N -1 3 386.698 3.937 20 0 GHADHM CC(C)(C[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)C(N)=O ZINC000452450498 879461272 /nfs/dbraw/zinc/46/12/72/879461272.db2.gz QHELFDWMQHLUFS-LJQANCHMSA-N -1 3 394.515 3.737 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000790276360 879562560 /nfs/dbraw/zinc/56/25/60/879562560.db2.gz LGNWNROGVQEZKI-GVDBMIGSSA-N -1 3 390.528 3.663 20 0 GHADHM CCOC(=O)C(C)(C)C1CCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000376184638 879651834 /nfs/dbraw/zinc/65/18/34/879651834.db2.gz NMHSICUSFSZNJF-UHFFFAOYSA-N -1 3 398.507 3.612 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000538534885 879672155 /nfs/dbraw/zinc/67/21/55/879672155.db2.gz LURMTMOYBUEDSN-OLZOCXBDSA-N -1 3 383.407 3.717 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCOCC1 ZINC000493871104 879685350 /nfs/dbraw/zinc/68/53/50/879685350.db2.gz GWSRTYRPYAVWRE-LBPRGKRZSA-N -1 3 396.734 3.586 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCS1 ZINC000493889026 879702663 /nfs/dbraw/zinc/70/26/63/879702663.db2.gz RHBCYVWSRFCIDD-GFCCVEGCSA-N -1 3 384.748 3.667 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(CC)CC)n1 ZINC000181100876 879718173 /nfs/dbraw/zinc/71/81/73/879718173.db2.gz HWNXUWSSJMGCHR-INIZCTEOSA-N -1 3 382.464 3.913 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000531396450 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/nfs/dbraw/zinc/63/18/51/884631851.db2.gz XNVSAADWUVYHPL-JTQLQIEISA-N -1 3 390.237 3.562 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)coc21 ZINC000898220971 884637425 /nfs/dbraw/zinc/63/74/25/884637425.db2.gz GVVMGCMEORGSSF-JTQLQIEISA-N -1 3 390.237 3.562 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCCS1 ZINC000556374005 884697644 /nfs/dbraw/zinc/69/76/44/884697644.db2.gz XGNKFCRMEIIUSL-GFCCVEGCSA-N -1 3 384.748 3.667 20 0 GHADHM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000053427263 884704164 /nfs/dbraw/zinc/70/41/64/884704164.db2.gz IIWUOXOKHMBNPD-HNNXBMFYSA-N -1 3 395.890 3.701 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795806669 912859444 /nfs/dbraw/zinc/85/94/44/912859444.db2.gz VLDOKNNDRFRZEY-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1C ZINC000475830649 884781294 /nfs/dbraw/zinc/78/12/94/884781294.db2.gz NIQAYSGLWUEPBN-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)c1 ZINC000475835040 884804777 /nfs/dbraw/zinc/80/47/77/884804777.db2.gz RKOMJYSBMLQKTL-UHFFFAOYSA-N -1 3 399.827 3.659 20 0 GHADHM CCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc(C)cc(=O)[n-]1 ZINC000761849936 884806632 /nfs/dbraw/zinc/80/66/32/884806632.db2.gz DFGQPWWVZCRWCA-UHFFFAOYSA-N -1 3 376.869 3.556 20 0 GHADHM Cc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)n1[C@H]1CCOC1 ZINC000860569177 884812826 /nfs/dbraw/zinc/81/28/26/884812826.db2.gz NVPUJPSETZWLCO-KRWDZBQOSA-N -1 3 393.443 3.757 20 0 GHADHM Cc1cccc(-c2nnc(SCc3nc(C)cc(=O)[n-]3)n2Cc2ccco2)c1 ZINC000761861330 884880506 /nfs/dbraw/zinc/88/05/06/884880506.db2.gz QNUDAEWTOQRQIB-UHFFFAOYSA-N -1 3 393.472 3.991 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000498640585 885146876 /nfs/dbraw/zinc/14/68/76/885146876.db2.gz ZCGOXWVEYRXWND-ZDUSSCGKSA-N -1 3 386.373 3.650 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000747366811 885163473 /nfs/dbraw/zinc/16/34/73/885163473.db2.gz MPAJUUIWJIGLFF-LLVKDONJSA-N -1 3 392.297 3.738 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000193271160 885167247 /nfs/dbraw/zinc/16/72/47/885167247.db2.gz BLFBVDMBSDWWRF-QGZVFWFLSA-N -1 3 389.499 3.656 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c(C)c1 ZINC000475841420 885339009 /nfs/dbraw/zinc/33/90/09/885339009.db2.gz XDAZPMKASOCVLD-UHFFFAOYSA-N -1 3 391.493 3.596 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(Br)ccc1F ZINC000130932373 885358935 /nfs/dbraw/zinc/35/89/35/885358935.db2.gz OTXOQMUHNAJWSJ-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CCCCOc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000053511222 885359463 /nfs/dbraw/zinc/35/94/63/885359463.db2.gz NUTWDWYDAZSOQP-UHFFFAOYSA-N -1 3 380.444 3.646 20 0 GHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000609218935 885457198 /nfs/dbraw/zinc/45/71/98/885457198.db2.gz BMJXJMPARWMFGW-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2F)n1 ZINC000303240393 885488320 /nfs/dbraw/zinc/48/83/20/885488320.db2.gz AYTBMBQPKLWDHU-UHFFFAOYSA-N -1 3 377.416 3.877 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286885896 912948761 /nfs/dbraw/zinc/94/87/61/912948761.db2.gz SIVMHRHZVHWWHW-HNNXBMFYSA-N -1 3 399.491 3.850 20 0 GHADHM CC1=C(Br)CN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000861499165 885580351 /nfs/dbraw/zinc/58/03/51/885580351.db2.gz BUFLYUZBJKAJQA-UHFFFAOYSA-N -1 3 375.060 3.670 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC000104732362 885592612 /nfs/dbraw/zinc/59/26/12/885592612.db2.gz ZBTMIDLOHGWNDY-IMSIIYSGSA-N -1 3 376.881 3.541 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000861520293 885602256 /nfs/dbraw/zinc/60/22/56/885602256.db2.gz CJFQBXPQDYXDSR-FHLIZLRMSA-N -1 3 388.261 3.591 20 0 GHADHM COCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 ZINC000550650678 885713739 /nfs/dbraw/zinc/71/37/39/885713739.db2.gz RQIOTQGCQVLZCA-UHFFFAOYSA-N -1 3 388.489 3.551 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCc2nccn2C)cc1 ZINC000108639249 885780565 /nfs/dbraw/zinc/78/05/65/885780565.db2.gz HUWTWUBCPOXYEO-UHFFFAOYSA-N -1 3 391.880 3.762 20 0 GHADHM O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc([O-])c1F ZINC000762317425 886020880 /nfs/dbraw/zinc/02/08/80/886020880.db2.gz ORNZEAUIQPQGLE-UHFFFAOYSA-N -1 3 395.415 3.608 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(OC(F)F)c(OC)c3)n[n-]c21 ZINC000808675881 886672554 /nfs/dbraw/zinc/67/25/54/886672554.db2.gz WKJUWSFADXYZJP-UHFFFAOYSA-N -1 3 378.331 3.539 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(OC(F)F)c(OC)c3)[n-]nc21 ZINC000808675881 886672560 /nfs/dbraw/zinc/67/25/60/886672560.db2.gz WKJUWSFADXYZJP-UHFFFAOYSA-N -1 3 378.331 3.539 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H]3CCC3(C)C)c2)c1 ZINC000805321821 886722573 /nfs/dbraw/zinc/72/25/73/886722573.db2.gz MLAVMKMLEOVCJT-IBGZPJMESA-N -1 3 398.459 3.580 20 0 GHADHM COC1(CCOC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCC1 ZINC000809053596 887045739 /nfs/dbraw/zinc/04/57/39/887045739.db2.gz KBLMORGDDRNSED-UHFFFAOYSA-N -1 3 379.254 3.955 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000238833877 887081546 /nfs/dbraw/zinc/08/15/46/887081546.db2.gz GLYVAOPRYCOCOB-UHFFFAOYSA-N -1 3 383.231 3.904 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C ZINC000863404086 887088713 /nfs/dbraw/zinc/08/87/13/887088713.db2.gz RCWBPJWFGQJVOV-UHFFFAOYSA-N -1 3 394.518 3.880 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000127892428 887116681 /nfs/dbraw/zinc/11/66/81/887116681.db2.gz GJKDOPRTWOJHQU-AWEZNQCLSA-N -1 3 396.878 3.556 20 0 GHADHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc([O-])c1Br ZINC000459298697 887136490 /nfs/dbraw/zinc/13/64/90/887136490.db2.gz AOCHLLDDTVRIBW-LBPRGKRZSA-N -1 3 398.322 3.751 20 0 GHADHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863471379 887137451 /nfs/dbraw/zinc/13/74/51/887137451.db2.gz SETGBWIFPWGFOE-UHFFFAOYSA-N -1 3 384.436 3.683 20 0 GHADHM Cc1csc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000047334750 887312623 /nfs/dbraw/zinc/31/26/23/887312623.db2.gz SIVFSEOLZWRLIO-UHFFFAOYSA-N -1 3 394.884 3.693 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532669345 887454772 /nfs/dbraw/zinc/45/47/72/887454772.db2.gz LOVXIWSKAQWMMD-JTQLQIEISA-N -1 3 385.208 3.598 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2nc(NCc3ccco3)ncc2Cl)s1 ZINC000915807554 887467243 /nfs/dbraw/zinc/46/72/43/887467243.db2.gz KXIVWCHLQCWDPS-UHFFFAOYSA-N -1 3 392.872 3.637 20 0 GHADHM [O-]c1cccc(CNCc2cccnc2OCC(F)(F)F)c1Br ZINC000459367313 887743351 /nfs/dbraw/zinc/74/33/51/887743351.db2.gz OKLOGNVWKNSGLB-UHFFFAOYSA-N -1 3 391.187 3.781 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCc2cccs2)c2ccccc21)C(F)(F)F ZINC000864417604 887762512 /nfs/dbraw/zinc/76/25/12/887762512.db2.gz MVCQLEWYYMDHJK-GFCCVEGCSA-N -1 3 397.422 3.630 20 0 GHADHM Cc1ccnc(CN[C@H](CCCc2ccccc2)C(=O)[O-])c1Br ZINC000864507443 887813718 /nfs/dbraw/zinc/81/37/18/887813718.db2.gz NPJCBGWMNKNMDW-OAHLLOKOSA-N -1 3 377.282 3.718 20 0 GHADHM COc1ccc(C[C@H](CNCc2csc(C(C)(C)C)n2)C(=O)[O-])cc1F ZINC000864531344 887834780 /nfs/dbraw/zinc/83/47/80/887834780.db2.gz BTFPKJSDXPSDGL-CYBMUJFWSA-N -1 3 380.485 3.621 20 0 GHADHM C[C@@H]1CCC[C@@H]([C@@H](CNCc2ncc(Br)cc2F)CC(=O)[O-])C1 ZINC000864534633 887840164 /nfs/dbraw/zinc/84/01/64/887840164.db2.gz YHFINPAVEACVSC-JHJVBQTASA-N -1 3 387.293 3.990 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(CCOc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000810072747 888126379 /nfs/dbraw/zinc/12/63/79/888126379.db2.gz VUXQUZOFCBIMTQ-NSHDSACASA-N -1 3 399.240 3.763 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cc(Cl)cc(Cl)c1 ZINC000243933582 888200318 /nfs/dbraw/zinc/20/03/18/888200318.db2.gz RUTAAFDJPJMUQA-UHFFFAOYSA-N -1 3 399.708 3.625 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)s1 ZINC000055558350 888201353 /nfs/dbraw/zinc/20/13/53/888201353.db2.gz CTYQXHAXUUBIQA-UHFFFAOYSA-N -1 3 385.820 3.683 20 0 GHADHM O=S(=O)(C=Cc1ccc(F)cc1)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000747597016 888272887 /nfs/dbraw/zinc/27/28/87/888272887.db2.gz VUKMCZFIAUOUHS-AATRIKPKSA-N -1 3 395.765 3.810 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2nc(-c3cc(Br)cs3)no2)n1 ZINC000763214879 888321476 /nfs/dbraw/zinc/32/14/76/888321476.db2.gz GIJVKMFLTLXCBE-UHFFFAOYSA-N -1 3 399.295 3.798 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 ZINC000763214308 888322540 /nfs/dbraw/zinc/32/25/40/888322540.db2.gz AQYUISFMMIMQPS-UHFFFAOYSA-N -1 3 382.367 3.993 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cc1 ZINC000055997057 888344529 /nfs/dbraw/zinc/34/45/29/888344529.db2.gz FSGIACDCHGQCJP-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000810414354 888480093 /nfs/dbraw/zinc/48/00/93/888480093.db2.gz QMVLVXWMLHURSG-IAQYHMDHSA-N -1 3 398.887 3.536 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)c(C)c1 ZINC000747607428 888507733 /nfs/dbraw/zinc/50/77/33/888507733.db2.gz PILWGFKFWIIXBH-GHXNOFRVSA-N -1 3 389.473 3.771 20 0 GHADHM CC(C)CCCCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132323166 888637745 /nfs/dbraw/zinc/63/77/45/888637745.db2.gz MCMRWWZQLAAMLD-UHFFFAOYSA-N -1 3 375.560 3.765 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3c4ccccc4oc3C(N)=O)cs2)n1C ZINC000120858469 888691788 /nfs/dbraw/zinc/69/17/88/888691788.db2.gz KYTINIHHGJBMSI-UHFFFAOYSA-N -1 3 380.429 3.554 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C3(O)CCCC3)cc2)cc(=O)[n-]1 ZINC000454341780 888848063 /nfs/dbraw/zinc/84/80/63/888848063.db2.gz DTQLOSOVRVVARR-UHFFFAOYSA-N -1 3 384.480 3.610 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c(=O)[n-]1 ZINC000123358641 888853804 /nfs/dbraw/zinc/85/38/04/888853804.db2.gz OXOMMWFXPYSAPY-UHFFFAOYSA-N -1 3 393.409 3.529 20 0 GHADHM CCOCCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000866597191 888958504 /nfs/dbraw/zinc/95/85/04/888958504.db2.gz PCCUPPBRLHPONJ-UHFFFAOYSA-N -1 3 396.915 3.820 20 0 GHADHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000796097571 913298545 /nfs/dbraw/zinc/29/85/45/913298545.db2.gz AWPCXRXKYBZJKA-BZNIZROVSA-N -1 3 391.386 3.553 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc([O-])ccc3Cl)C2)C1 ZINC000811079143 889144564 /nfs/dbraw/zinc/14/45/64/889144564.db2.gz VPTJGNMUDTUTHL-LJQANCHMSA-N -1 3 380.872 3.519 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)c2ccccc21)C(F)(F)F ZINC000868021507 889261970 /nfs/dbraw/zinc/26/19/70/889261970.db2.gz BYYKXWQUBVXORN-AWEZNQCLSA-N -1 3 395.425 3.557 20 0 GHADHM CC[C@H](C)N1C(=O)C[C@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321612 913337361 /nfs/dbraw/zinc/33/73/61/913337361.db2.gz DYEDWVPAOYCAQI-BUXKBTBVSA-N -1 3 399.318 3.839 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CCC1 ZINC000868441244 889444296 /nfs/dbraw/zinc/44/42/96/889444296.db2.gz SJEDCOKTRKLFIO-OCCSQVGLSA-N -1 3 383.414 3.557 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C1)C(F)(F)F ZINC000868443138 889446107 /nfs/dbraw/zinc/44/61/07/889446107.db2.gz BBXMRWKVCYRLOE-LBPRGKRZSA-N -1 3 393.409 3.576 20 0 GHADHM COCc1ccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811394869 889535917 /nfs/dbraw/zinc/53/59/17/889535917.db2.gz LJUHXDKDGZQQHZ-UHFFFAOYSA-N -1 3 392.864 3.502 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)Nc1ccnn1C1CCCC1 ZINC000811395149 889536381 /nfs/dbraw/zinc/53/63/81/889536381.db2.gz WXHNMBOPSQWMAG-UHFFFAOYSA-N -1 3 392.868 3.990 20 0 GHADHM Cc1cc(C)n2nc(C(=O)[N-]c3c(F)cc(F)cc3-c3ccccc3)nc2n1 ZINC000124437111 889632253 /nfs/dbraw/zinc/63/22/53/889632253.db2.gz CUTZZTMWCSKHCG-UHFFFAOYSA-N -1 3 379.370 3.939 20 0 GHADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000124702434 889729831 /nfs/dbraw/zinc/72/98/31/889729831.db2.gz TWHDSSQSLULEDM-OCCSQVGLSA-N -1 3 388.316 3.826 20 0 GHADHM O=C(NCc1ncccc1[O-])C1(Cc2cccc(F)c2)CCC(F)(F)CC1 ZINC001184681438 913384497 /nfs/dbraw/zinc/38/44/97/913384497.db2.gz XNKWZCHUJMQWMZ-UHFFFAOYSA-N -1 3 378.394 3.981 20 0 GHADHM C[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795067715 889864331 /nfs/dbraw/zinc/86/43/31/889864331.db2.gz BSVJFDOMWPXWKJ-RISCZKNCSA-N -1 3 398.347 3.536 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000533160221 889873762 /nfs/dbraw/zinc/87/37/62/889873762.db2.gz VOZTXCCXUBVRSR-UHFFFAOYSA-N -1 3 385.729 3.916 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cc2)n1 ZINC000064374221 889920881 /nfs/dbraw/zinc/92/08/81/889920881.db2.gz CKNOVMYIDNDBAK-UHFFFAOYSA-N -1 3 389.390 3.527 20 0 GHADHM CC(C)[C@H](CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811858866 890054847 /nfs/dbraw/zinc/05/48/47/890054847.db2.gz ISMOBXUMKIXKNC-WBVHZDCISA-N -1 3 399.457 3.526 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000916832214 890250280 /nfs/dbraw/zinc/25/02/80/890250280.db2.gz MJIRAFXSBAVVCS-QRVBRYPASA-N -1 3 386.448 3.573 20 0 GHADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000870213686 890266594 /nfs/dbraw/zinc/26/65/94/890266594.db2.gz DUDFCRLVKTWJGQ-CQSZACIVSA-N -1 3 397.456 3.646 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@@H](CC2CC2)c2ccccc2)C1)C(F)(F)F ZINC000812058425 890294995 /nfs/dbraw/zinc/29/49/95/890294995.db2.gz DHRPSTMGQYWBEO-RDJZCZTQSA-N -1 3 397.441 3.628 20 0 GHADHM CCOC(=O)c1nc(C)oc1[N-]C(=O)Nc1ccc(Br)cc1C ZINC001184791174 913436257 /nfs/dbraw/zinc/43/62/57/913436257.db2.gz JJVVJKNKRIDWEW-UHFFFAOYSA-N -1 3 382.214 3.875 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000033101962 890307053 /nfs/dbraw/zinc/30/70/53/890307053.db2.gz ZKQUDXPJQPGVRT-ZFWWWQNUSA-N -1 3 384.517 3.553 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Br ZINC000126084002 890363428 /nfs/dbraw/zinc/36/34/28/890363428.db2.gz BPZGVHJGKSPIOE-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Br ZINC000126084002 890363445 /nfs/dbraw/zinc/36/34/45/890363445.db2.gz BPZGVHJGKSPIOE-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Cc1ccccc1[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCO1 ZINC000126111452 890373067 /nfs/dbraw/zinc/37/30/67/890373067.db2.gz HRIUAQGXZCIMAU-GOSISDBHSA-N -1 3 375.428 3.551 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCCCC1(F)F ZINC000455165761 890409298 /nfs/dbraw/zinc/40/92/98/890409298.db2.gz KYJGOJHHEDTDGD-LLVKDONJSA-N -1 3 377.229 3.779 20 0 GHADHM CCC1(CC)CCC(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812205096 890428781 /nfs/dbraw/zinc/42/87/81/890428781.db2.gz IZOWUYCBTVPAKG-AWEZNQCLSA-N -1 3 391.478 3.836 20 0 GHADHM COC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC001184817223 913457881 /nfs/dbraw/zinc/45/78/81/913457881.db2.gz KBTVZMCYDSKVHE-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)CCc1ccco1 ZINC001184820217 913461012 /nfs/dbraw/zinc/46/10/12/913461012.db2.gz BLPOYDYHWYJEAQ-SNVBAGLBSA-N -1 3 378.313 3.712 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000065787531 890651156 /nfs/dbraw/zinc/65/11/56/890651156.db2.gz YAQXHOAASHJTSY-NRFANRHFSA-N -1 3 397.434 3.750 20 0 GHADHM Cc1ccc(CSCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001184845282 913478733 /nfs/dbraw/zinc/47/87/33/913478733.db2.gz IPLGNIKALATDJF-UHFFFAOYSA-N -1 3 391.345 3.909 20 0 GHADHM Cc1cccc(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC000871314000 890747348 /nfs/dbraw/zinc/74/73/48/890747348.db2.gz ZZVFXECFAFNTQT-OAHLLOKOSA-N -1 3 376.378 3.808 20 0 GHADHM COCC1(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000812579037 890768199 /nfs/dbraw/zinc/76/81/99/890768199.db2.gz FNWZHNZCIHELDC-HXUWFJFHSA-N -1 3 397.471 3.613 20 0 GHADHM O=C(CC1CCSCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533618805 890946217 /nfs/dbraw/zinc/94/62/17/890946217.db2.gz JBEYSAPEEAQXOJ-UHFFFAOYSA-N -1 3 396.940 3.756 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3C[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000871880234 891070000 /nfs/dbraw/zinc/07/00/00/891070000.db2.gz PRCLFOBMUIOVOV-PMUMKWKESA-N -1 3 390.505 3.710 20 0 GHADHM CCOC1CC(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)C1 ZINC000825582590 891152506 /nfs/dbraw/zinc/15/25/06/891152506.db2.gz LRXRXDIFXCPLAV-UHFFFAOYSA-N -1 3 383.427 3.564 20 0 GHADHM CCOC1CC(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)C1 ZINC000825582590 891152512 /nfs/dbraw/zinc/15/25/12/891152512.db2.gz LRXRXDIFXCPLAV-UHFFFAOYSA-N -1 3 383.427 3.564 20 0 GHADHM COc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c(Cl)c1OC ZINC000872323595 891239615 /nfs/dbraw/zinc/23/96/15/891239615.db2.gz MXWNRORPQKDKJJ-CVEARBPZSA-N -1 3 393.842 3.797 20 0 GHADHM O=C(CC1CCN(CC(F)(F)F)CC1)Nc1cc(Br)ccc1[O-] ZINC001184920418 913537806 /nfs/dbraw/zinc/53/78/06/913537806.db2.gz NZROABQOLISWQB-UHFFFAOYSA-N -1 3 395.219 3.758 20 0 GHADHM CCOc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000825639186 891380336 /nfs/dbraw/zinc/38/03/36/891380336.db2.gz SUWCPZNIKCJNPT-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)cc1OC ZINC000128071587 891397784 /nfs/dbraw/zinc/39/77/84/891397784.db2.gz PRUFHTLGOGDXFN-UHFFFAOYSA-N -1 3 379.438 3.984 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000124424291 891500765 /nfs/dbraw/zinc/50/07/65/891500765.db2.gz NIRLVDPBFVJSFU-UHFFFAOYSA-N -1 3 382.794 3.504 20 0 GHADHM O=S(=O)([N-]CCC(c1ccccc1)c1ccccc1)c1cnc(Cl)nc1 ZINC001185063899 913607044 /nfs/dbraw/zinc/60/70/44/913607044.db2.gz UQSFHVNQUROZQR-UHFFFAOYSA-N -1 3 387.892 3.631 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000497590477 891946177 /nfs/dbraw/zinc/94/61/77/891946177.db2.gz IENFPKSHEZHQHL-GFCCVEGCSA-N -1 3 386.757 3.753 20 0 GHADHM CC(C(=O)OCC(=O)[N-]C(=O)c1cccs1)(c1ccccc1)c1ccccc1 ZINC000729757397 891989705 /nfs/dbraw/zinc/98/97/05/891989705.db2.gz OEDYRXRIOJXKDY-UHFFFAOYSA-N -1 3 393.464 3.554 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC001134027930 892191501 /nfs/dbraw/zinc/19/15/01/892191501.db2.gz MQMJFNBWUPEGFS-UHFFFAOYSA-N -1 3 376.434 3.650 20 0 GHADHM CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001134128865 892323593 /nfs/dbraw/zinc/32/35/93/892323593.db2.gz XSMQXTSCJIQRLZ-UHFFFAOYSA-N -1 3 391.191 3.793 20 0 GHADHM CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001134128865 892323614 /nfs/dbraw/zinc/32/36/14/892323614.db2.gz XSMQXTSCJIQRLZ-UHFFFAOYSA-N -1 3 391.191 3.793 20 0 GHADHM Cc1cccc(-n2cnc3cc(C(=O)Nc4nnc(C(F)(F)F)[n-]4)ccc32)c1 ZINC001134128350 892323763 /nfs/dbraw/zinc/32/37/63/892323763.db2.gz NLEIWFWFGKEFIH-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM Cc1cccc(-n2cnc3cc(C(=O)Nc4nc(C(F)(F)F)n[n-]4)ccc32)c1 ZINC001134128350 892323781 /nfs/dbraw/zinc/32/37/81/892323781.db2.gz NLEIWFWFGKEFIH-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM CCOc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc(OCC)c1OCC ZINC000497863464 892578116 /nfs/dbraw/zinc/57/81/16/892578116.db2.gz FYXACPSAHHUSCP-UHFFFAOYSA-N -1 3 395.459 3.947 20 0 GHADHM O=c1[n-]c(SCc2cc(-c3ccco3)on2)nc2c1cnn2-c1ccccc1 ZINC000192493254 892596570 /nfs/dbraw/zinc/59/65/70/892596570.db2.gz VLAWQUILWGUBTF-UHFFFAOYSA-N -1 3 391.412 3.649 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(F)cc(Br)c1 ZINC001185123775 913679744 /nfs/dbraw/zinc/67/97/44/913679744.db2.gz OUWAOLZJWKVOTA-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CCOc1c(Br)cc(C(=O)Nc2cccc([O-])c2F)cc1OC ZINC000128984704 892816087 /nfs/dbraw/zinc/81/60/87/892816087.db2.gz IVLSYYBZAFAJKK-UHFFFAOYSA-N -1 3 384.201 3.953 20 0 GHADHM Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC001185220563 913736379 /nfs/dbraw/zinc/73/63/79/913736379.db2.gz BPUJOCYEOCYQLF-UHFFFAOYSA-N -1 3 394.456 3.696 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@]34CCCC[C@H]3C4(F)F)nc21 ZINC001134753657 893288939 /nfs/dbraw/zinc/28/89/39/893288939.db2.gz RKWMZKLZVBDOMA-FZKQIMNGSA-N -1 3 377.391 3.894 20 0 GHADHM CC[C@H](C)[C@@H](C)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788626 893305986 /nfs/dbraw/zinc/30/59/86/893305986.db2.gz FGXJDBJRUKTVMK-DTWKUNHWSA-N -1 3 382.258 3.733 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@H]3CCCC34CC4)[n-]c2c(Br)c1 ZINC001134789513 893307177 /nfs/dbraw/zinc/30/71/77/893307177.db2.gz WLUQBVDXBHTTPF-JTQLQIEISA-N -1 3 392.253 3.631 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC000815050725 893367265 /nfs/dbraw/zinc/36/72/65/893367265.db2.gz DKVUVARZRKVUEZ-ZCFIWIBFSA-N -1 3 385.820 3.558 20 0 GHADHM O=C(COc1ccccc1C(=O)Nc1cccc([O-])c1F)Nc1ccccc1F ZINC000129425392 893390401 /nfs/dbraw/zinc/39/04/01/893390401.db2.gz ANDQIBAOUBZIMO-UHFFFAOYSA-N -1 3 398.365 3.940 20 0 GHADHM Cc1noc(COCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000129512672 893526628 /nfs/dbraw/zinc/52/66/28/893526628.db2.gz VRAYXDMCQTWPSP-UHFFFAOYSA-N -1 3 396.428 3.516 20 0 GHADHM O=c1cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc(-c2ccccc2)[n-]1 ZINC000459485305 893600270 /nfs/dbraw/zinc/60/02/70/893600270.db2.gz VADHFFXOFKIOQI-QFBILLFUSA-N -1 3 393.512 3.850 20 0 GHADHM CCOc1cc(CNCc2ncn(Cc3cccc(F)c3)n2)cc(Cl)c1[O-] ZINC000459507011 893697950 /nfs/dbraw/zinc/69/79/50/893697950.db2.gz IBHKLVOTVQNYEU-UHFFFAOYSA-N -1 3 390.846 3.513 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)c([O-])c1 ZINC000129602491 893703424 /nfs/dbraw/zinc/70/34/24/893703424.db2.gz GFKFGSOGZYYEJX-UHFFFAOYSA-N -1 3 393.443 3.683 20 0 GHADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cnn(CC2CCC2)c1 ZINC000934555776 893710800 /nfs/dbraw/zinc/71/08/00/893710800.db2.gz GGAUKSGPMITDLC-CYBMUJFWSA-N -1 3 377.448 3.929 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cccc([O-])c1Br ZINC000459545912 893773112 /nfs/dbraw/zinc/77/31/12/893773112.db2.gz QBXFVMIYDFHSPJ-CQSZACIVSA-N -1 3 391.309 3.806 20 0 GHADHM CCOc1cc(CNc2cc(COC)cc(C(=O)OC)c2)cc(Cl)c1[O-] ZINC000459558056 893804935 /nfs/dbraw/zinc/80/49/35/893804935.db2.gz MZZFZWDCZHZODP-UHFFFAOYSA-N -1 3 379.840 3.989 20 0 GHADHM [O-]c1cccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1Br ZINC000459568055 893837382 /nfs/dbraw/zinc/83/73/82/893837382.db2.gz KUEZKZDTWLLPKI-IBGZPJMESA-N -1 3 394.284 3.721 20 0 GHADHM CCN(Cc1nc2c(c(=O)[n-]1)COCC2)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000878008157 893941312 /nfs/dbraw/zinc/94/13/12/893941312.db2.gz BTOGVBBHEKOPTL-GFCCVEGCSA-N -1 3 381.398 3.857 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1sccc1C ZINC000536902894 894077733 /nfs/dbraw/zinc/07/77/33/894077733.db2.gz AUISVCDZBKXYBT-UHFFFAOYSA-N -1 3 395.527 3.579 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878266686 894140879 /nfs/dbraw/zinc/14/08/79/894140879.db2.gz ZPVUFNPBXCFIII-QGZVFWFLSA-N -1 3 375.432 3.666 20 0 GHADHM Cc1c(CNC(=O)CNC(=O)c2ccc([O-])cc2)sc2ccc(Cl)cc12 ZINC000563775889 894176273 /nfs/dbraw/zinc/17/62/73/894176273.db2.gz MMAMDCCOBNCDOY-UHFFFAOYSA-N -1 3 388.876 3.615 20 0 GHADHM CC(C)(C)OC(=O)[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878382034 894244757 /nfs/dbraw/zinc/24/47/57/894244757.db2.gz ZLHFEZVJFKAELR-SFHVURJKSA-N -1 3 381.432 3.615 20 0 GHADHM Cc1cc(C2CCN(C(=O)c3cc(-c4ccc(C=O)o4)ccc3[O-])CC2)n[nH]1 ZINC000935218254 894285887 /nfs/dbraw/zinc/28/58/87/894285887.db2.gz DJHFUEGQWZKXMA-UHFFFAOYSA-N -1 3 379.416 3.516 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccccc1F ZINC000878454263 894305124 /nfs/dbraw/zinc/30/51/24/894305124.db2.gz AFSANZHPVSMEHX-AWEZNQCLSA-N -1 3 387.238 3.958 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(OCc3ccccc3)CCOCC2)[nH][n-]1 ZINC000537119174 894339980 /nfs/dbraw/zinc/33/99/80/894339980.db2.gz XXVOSIDNMXOKIP-UHFFFAOYSA-N -1 3 391.471 3.512 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2)cs1 ZINC000563972423 894387485 /nfs/dbraw/zinc/38/74/85/894387485.db2.gz UQFCFZDWMNVXHX-LLVKDONJSA-N -1 3 380.473 3.983 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nc2c1COCC2 ZINC000878601081 894428854 /nfs/dbraw/zinc/42/88/54/894428854.db2.gz LLXZTUSRYXDAEC-AWEZNQCLSA-N -1 3 393.409 3.653 20 0 GHADHM O=c1[n-]c(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)nc2c1COCC2 ZINC000878628443 894465123 /nfs/dbraw/zinc/46/51/23/894465123.db2.gz PILCKNCHAKJFPC-KRWDZBQOSA-N -1 3 380.275 3.803 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)ccc1C ZINC000564061514 894534080 /nfs/dbraw/zinc/53/40/80/894534080.db2.gz WGXMCEWKMOAUCC-UHFFFAOYSA-N -1 3 391.489 3.906 20 0 GHADHM COC(=O)c1ccc(CNCc2c(F)ccc([O-])c2F)c(Br)c1 ZINC000816610982 894973203 /nfs/dbraw/zinc/97/32/03/894973203.db2.gz DZHZTSQPGVNTTG-UHFFFAOYSA-N -1 3 386.192 3.509 20 0 GHADHM CCOC(=O)c1c(C)[nH]nc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000564471274 895019163 /nfs/dbraw/zinc/01/91/63/895019163.db2.gz OTDRAKCAWOEFFX-UHFFFAOYSA-N -1 3 384.461 3.658 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1OC ZINC000666865689 895062426 /nfs/dbraw/zinc/06/24/26/895062426.db2.gz WTJAUVVGKKGELQ-HWWDLCQESA-N -1 3 380.510 3.612 20 0 GHADHM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc2sccc2c([O-])c1 ZINC000816834384 895095204 /nfs/dbraw/zinc/09/52/04/895095204.db2.gz PRMODJJIRYANDL-AWEZNQCLSA-N -1 3 392.274 3.833 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(CC3CCCC3)no2)c1 ZINC000564592869 895105097 /nfs/dbraw/zinc/10/50/97/895105097.db2.gz DZHNSPGLTUVHLP-UHFFFAOYSA-N -1 3 390.440 3.737 20 0 GHADHM O=C(NCCc1nc2ccccc2s1)c1cc([O-])cc(Br)c1 ZINC001135722715 895134188 /nfs/dbraw/zinc/13/41/88/895134188.db2.gz QCFIOXVTAZMSGY-UHFFFAOYSA-N -1 3 377.263 3.737 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000565111993 895391438 /nfs/dbraw/zinc/39/14/38/895391438.db2.gz OUWFJTRFOUALSL-UHFFFAOYSA-N -1 3 384.867 3.928 20 0 GHADHM CC1(C)CN(CC2CN(C(=O)c3ccc(O)cc3[O-])C2)c2cc(C3CC3)ccc21 ZINC000565256599 895480308 /nfs/dbraw/zinc/48/03/08/895480308.db2.gz AQPXKQABTDPZHI-UHFFFAOYSA-N -1 3 392.499 3.845 20 0 GHADHM CSCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000774901159 913979797 /nfs/dbraw/zinc/97/97/97/913979797.db2.gz XNIULIKLVVGQCR-UHFFFAOYSA-N -1 3 397.493 3.845 20 0 GHADHM COCCN(C(=O)[C@H](C)CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157411 895685168 /nfs/dbraw/zinc/68/51/68/895685168.db2.gz UOYNUUFXRJMAFC-QGZVFWFLSA-N -1 3 393.491 3.505 20 0 GHADHM COCCN(C(=O)[C@H](C)CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157411 895685173 /nfs/dbraw/zinc/68/51/73/895685173.db2.gz UOYNUUFXRJMAFC-QGZVFWFLSA-N -1 3 393.491 3.505 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1c1ccccc1 ZINC000565543904 895712941 /nfs/dbraw/zinc/71/29/41/895712941.db2.gz KMJWQEXZARONBM-IAGOWNOFSA-N -1 3 383.835 3.690 20 0 GHADHM O=C(Nc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1)NC1CC1 ZINC001135997677 895879596 /nfs/dbraw/zinc/87/95/96/895879596.db2.gz TVIZQIFTVFUANQ-UHFFFAOYSA-N -1 3 390.237 3.691 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c1 ZINC000817745121 895879709 /nfs/dbraw/zinc/87/97/09/895879709.db2.gz XXJSDEFVEFGHSG-CALCHBBNSA-N -1 3 388.508 3.674 20 0 GHADHM COc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000826187492 895944003 /nfs/dbraw/zinc/94/40/03/895944003.db2.gz SLESXJYXYYTGJQ-UHFFFAOYSA-N -1 3 385.449 3.511 20 0 GHADHM COc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000826187492 895944011 /nfs/dbraw/zinc/94/40/11/895944011.db2.gz SLESXJYXYYTGJQ-UHFFFAOYSA-N -1 3 385.449 3.511 20 0 GHADHM COCCN(C(=O)c1ccc(N)cc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000817916820 895961267 /nfs/dbraw/zinc/96/12/67/895961267.db2.gz KSBSBEQZXLQQDG-LBPRGKRZSA-N -1 3 382.382 3.843 20 0 GHADHM COc1ccc(C[C@H](C)CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826192091 895987619 /nfs/dbraw/zinc/98/76/19/895987619.db2.gz ZPGOSLNPOYJWBN-AWEZNQCLSA-N -1 3 394.479 3.526 20 0 GHADHM COc1ccc(C[C@H](C)CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826192091 895987624 /nfs/dbraw/zinc/98/76/24/895987624.db2.gz ZPGOSLNPOYJWBN-AWEZNQCLSA-N -1 3 394.479 3.526 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566449515 896318613 /nfs/dbraw/zinc/31/86/13/896318613.db2.gz NFGSUTZAFFHMBN-UHFFFAOYSA-N -1 3 379.382 3.830 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000566510364 896345715 /nfs/dbraw/zinc/34/57/15/896345715.db2.gz PKZBGIVXXMUSSI-UTKZUKDTSA-N -1 3 392.499 3.659 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2Cl)CC1)c1cccnc1C(F)(F)F ZINC000645792762 914068478 /nfs/dbraw/zinc/06/84/78/914068478.db2.gz XOQNHELSWLJYND-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM CS[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224568 896481426 /nfs/dbraw/zinc/48/14/26/896481426.db2.gz HXWWHKUFBNIKDB-ZIAGYGMSSA-N -1 3 381.505 3.853 20 0 GHADHM CS[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224568 896481430 /nfs/dbraw/zinc/48/14/30/896481430.db2.gz HXWWHKUFBNIKDB-ZIAGYGMSSA-N -1 3 381.505 3.853 20 0 GHADHM COc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3[O-])n[nH]2)cc1 ZINC001136219379 896704839 /nfs/dbraw/zinc/70/48/39/896704839.db2.gz RSQJWYKZWQMQSK-UHFFFAOYSA-N -1 3 388.221 3.806 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254371 896741652 /nfs/dbraw/zinc/74/16/52/896741652.db2.gz IFXOXZDTTFZFNF-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254371 896741661 /nfs/dbraw/zinc/74/16/61/896741661.db2.gz IFXOXZDTTFZFNF-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)nn1C1CCCCC1 ZINC000826260564 896749044 /nfs/dbraw/zinc/74/90/44/896749044.db2.gz UVBIGFPSPXCJAD-UHFFFAOYSA-N -1 3 396.499 3.686 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)nn1C1CCCCC1 ZINC000826260564 896749054 /nfs/dbraw/zinc/74/90/54/896749054.db2.gz UVBIGFPSPXCJAD-UHFFFAOYSA-N -1 3 396.499 3.686 20 0 GHADHM CCCCOC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000025255938 896809012 /nfs/dbraw/zinc/80/90/12/896809012.db2.gz FADPUHZEZNNRCY-UHFFFAOYSA-N -1 3 392.868 3.610 20 0 GHADHM Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826286676 896906902 /nfs/dbraw/zinc/90/69/02/896906902.db2.gz LTWARKWIIVSIPK-HNNXBMFYSA-N -1 3 387.443 3.855 20 0 GHADHM Cc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826286676 896906910 /nfs/dbraw/zinc/90/69/10/896906910.db2.gz LTWARKWIIVSIPK-HNNXBMFYSA-N -1 3 387.443 3.855 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(Br)cc3-c3nnn[n-]3)CC2)cn1 ZINC000826285614 896928864 /nfs/dbraw/zinc/92/88/64/896928864.db2.gz DXHSHKKBNPBDLE-UHFFFAOYSA-N -1 3 399.296 3.717 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(Br)cc3-c3nn[n-]n3)CC2)cn1 ZINC000826285614 896928869 /nfs/dbraw/zinc/92/88/69/896928869.db2.gz DXHSHKKBNPBDLE-UHFFFAOYSA-N -1 3 399.296 3.717 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000567224493 896984894 /nfs/dbraw/zinc/98/48/94/896984894.db2.gz BEQQAWWPCYMYRS-UHFFFAOYSA-N -1 3 392.356 3.767 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)c(C(F)(F)F)c1 ZINC000820155269 897196880 /nfs/dbraw/zinc/19/68/80/897196880.db2.gz MWSLBTPZTLUFMB-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)c(C(F)(F)F)c1 ZINC000820155269 897196888 /nfs/dbraw/zinc/19/68/88/897196888.db2.gz MWSLBTPZTLUFMB-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM C[C@H](CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CCCCC1 ZINC000820225486 897249295 /nfs/dbraw/zinc/24/92/95/897249295.db2.gz JRZWQNUVARFXDT-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@H](CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000820225486 897249312 /nfs/dbraw/zinc/24/93/12/897249312.db2.gz JRZWQNUVARFXDT-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)c3occc32)cc1OC ZINC001136329273 897278576 /nfs/dbraw/zinc/27/85/76/897278576.db2.gz VBWWLENXABQVSD-UHFFFAOYSA-N -1 3 392.408 3.594 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000131060830 897308810 /nfs/dbraw/zinc/30/88/10/897308810.db2.gz UOYTVRHATNMCPY-UHFFFAOYSA-N -1 3 381.342 3.966 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnn(-c2ccccc2F)c1 ZINC000567721469 897358515 /nfs/dbraw/zinc/35/85/15/897358515.db2.gz LTYAEBOKYQEULV-UHFFFAOYSA-N -1 3 388.362 3.795 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnn(-c2ccccc2F)c1 ZINC000567721469 897358526 /nfs/dbraw/zinc/35/85/26/897358526.db2.gz LTYAEBOKYQEULV-UHFFFAOYSA-N -1 3 388.362 3.795 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]CCc2cc(C(F)(F)F)ccn2)cnc1Cl ZINC000820557751 897393570 /nfs/dbraw/zinc/39/35/70/897393570.db2.gz HSWKCPGMHGRZJG-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820564041 897397045 /nfs/dbraw/zinc/39/70/45/897397045.db2.gz XUUROWJBHXXRDM-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820564041 897397059 /nfs/dbraw/zinc/39/70/59/897397059.db2.gz XUUROWJBHXXRDM-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000567858067 897457506 /nfs/dbraw/zinc/45/75/06/897457506.db2.gz ULNZZEKWXFGXTH-MRRJBJDNSA-N -1 3 399.318 3.842 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)c1 ZINC001185908131 914168495 /nfs/dbraw/zinc/16/84/95/914168495.db2.gz GZBCRZJODYQTRE-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM CCN(C(=O)/C=C\SCc1ccco1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149332 897764285 /nfs/dbraw/zinc/76/42/85/897764285.db2.gz VOENYTWVOWRAJA-HCYCVZQXSA-N -1 3 383.477 3.816 20 0 GHADHM CCN(C(=O)/C=C\SCc1ccco1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149332 897764293 /nfs/dbraw/zinc/76/42/93/897764293.db2.gz VOENYTWVOWRAJA-HCYCVZQXSA-N -1 3 383.477 3.816 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cc(C)ccc1C ZINC000821231207 897795781 /nfs/dbraw/zinc/79/57/81/897795781.db2.gz YRLJQMITFCMSJA-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cc(C)ccc1C ZINC000821231207 897795784 /nfs/dbraw/zinc/79/57/84/897795784.db2.gz YRLJQMITFCMSJA-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000821304545 897833471 /nfs/dbraw/zinc/83/34/71/897833471.db2.gz KHPWHPJUWGBIHP-UHFFFAOYSA-N -1 3 382.811 3.950 20 0 GHADHM CCc1cc2c(CSc3cccc(-c4nn[nH]n4)c3)cc(=O)oc2cc1[O-] ZINC000821476112 897915146 /nfs/dbraw/zinc/91/51/46/897915146.db2.gz IDSWMVPGJARTSD-UHFFFAOYSA-N -1 3 380.429 3.533 20 0 GHADHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c(C)c1 ZINC000821818687 898104820 /nfs/dbraw/zinc/10/48/20/898104820.db2.gz YBKGEPXBMIZPLY-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c(C)c1 ZINC000821818687 898104824 /nfs/dbraw/zinc/10/48/24/898104824.db2.gz YBKGEPXBMIZPLY-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM FC(F)(F)c1ccn([C@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)n1 ZINC000826368791 898201561 /nfs/dbraw/zinc/20/15/61/898201561.db2.gz BKCQDRRXNLGRSM-NSHDSACASA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)n1 ZINC000826368791 898201574 /nfs/dbraw/zinc/20/15/74/898201574.db2.gz BKCQDRRXNLGRSM-NSHDSACASA-N -1 3 397.792 3.577 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccc(Cl)s1 ZINC001170975554 898202187 /nfs/dbraw/zinc/20/21/87/898202187.db2.gz RPKDOSNPQRBOSI-UHFFFAOYSA-N -1 3 390.852 3.946 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2F)C2CCCCC2)c(=O)[n-]1 ZINC000105375699 898209094 /nfs/dbraw/zinc/20/90/94/898209094.db2.gz BQFPBKFPJOSLBX-UHFFFAOYSA-N -1 3 385.483 3.820 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc3ccc(O)cc3c2[O-])N2CCCC2)o1 ZINC001136538926 898220344 /nfs/dbraw/zinc/22/03/44/898220344.db2.gz LOGXBNXSSVWPIT-LJQANCHMSA-N -1 3 380.444 3.719 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233673 898262114 /nfs/dbraw/zinc/26/21/14/898262114.db2.gz SPENSIBEHRTTFR-WOJBJXKFSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233673 898262131 /nfs/dbraw/zinc/26/21/31/898262131.db2.gz SPENSIBEHRTTFR-WOJBJXKFSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)ccc2O1 ZINC000569042716 898294248 /nfs/dbraw/zinc/29/42/48/898294248.db2.gz NOGUPSYJAJEQJP-CQSZACIVSA-N -1 3 382.441 3.998 20 0 GHADHM Cc1cnc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)c([O-])c1 ZINC001136582288 898331064 /nfs/dbraw/zinc/33/10/64/898331064.db2.gz BSHCCECPCMNGIT-UHFFFAOYSA-N -1 3 396.491 3.553 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822352141 898342743 /nfs/dbraw/zinc/34/27/43/898342743.db2.gz UXSGZHWMADZYGM-LIRRHRJNSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822352141 898342755 /nfs/dbraw/zinc/34/27/55/898342755.db2.gz UXSGZHWMADZYGM-LIRRHRJNSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822352138 898343162 /nfs/dbraw/zinc/34/31/62/898343162.db2.gz UXSGZHWMADZYGM-AUUYWEPGSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822352138 898343174 /nfs/dbraw/zinc/34/31/74/898343174.db2.gz UXSGZHWMADZYGM-AUUYWEPGSA-N -1 3 376.464 3.687 20 0 GHADHM CCc1ccc(Br)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275490564 914251474 /nfs/dbraw/zinc/25/14/74/914251474.db2.gz OWHGPMILNOCDDZ-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CCc1ccc(Br)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275490564 914251479 /nfs/dbraw/zinc/25/14/79/914251479.db2.gz OWHGPMILNOCDDZ-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3csc(-c4ccncc4)n3)c[n-]c12 ZINC000569211555 898432719 /nfs/dbraw/zinc/43/27/19/898432719.db2.gz VKOKAZIPSBZDAE-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000289605723 914260519 /nfs/dbraw/zinc/26/05/19/914260519.db2.gz YASBXXWLLWXBBB-NSHDSACASA-N -1 3 389.468 3.762 20 0 GHADHM C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000800068727 898552200 /nfs/dbraw/zinc/55/22/00/898552200.db2.gz GYMSOLNYHWDVQR-HHQWOOOKSA-N -1 3 379.457 3.908 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000800068729 898553883 /nfs/dbraw/zinc/55/38/83/898553883.db2.gz GYMSOLNYHWDVQR-YLGBQOPLSA-N -1 3 379.457 3.908 20 0 GHADHM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N=c1[nH][n-]c(-c2ccccc2)c1C ZINC000569433556 898655392 /nfs/dbraw/zinc/65/53/92/898655392.db2.gz DVMSUUPMYAQJEZ-UHFFFAOYSA-N -1 3 378.480 3.883 20 0 GHADHM O=C(OC[C@@H](F)C(F)(F)F)c1n[n-]c(-c2ccccc2)c1Br ZINC000800185290 898719299 /nfs/dbraw/zinc/71/92/99/898719299.db2.gz TXKOGSNAGVAZCA-MRVPVSSYSA-N -1 3 381.123 3.896 20 0 GHADHM O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cccc2nn[n-]c21 ZINC000800209052 898745163 /nfs/dbraw/zinc/74/51/63/898745163.db2.gz PVPSNXNWCBSVOU-UHFFFAOYSA-N -1 3 390.186 3.672 20 0 GHADHM O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cccc2[n-]nnc21 ZINC000800209052 898745173 /nfs/dbraw/zinc/74/51/73/898745173.db2.gz PVPSNXNWCBSVOU-UHFFFAOYSA-N -1 3 390.186 3.672 20 0 GHADHM O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cccc2n[n-]nc21 ZINC000800209052 898745179 /nfs/dbraw/zinc/74/51/79/898745179.db2.gz PVPSNXNWCBSVOU-UHFFFAOYSA-N -1 3 390.186 3.672 20 0 GHADHM O=C(COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)Nc1ccccc1 ZINC000823040504 898805816 /nfs/dbraw/zinc/80/58/16/898805816.db2.gz MBOYFJNZZMDRAB-UHFFFAOYSA-N -1 3 387.399 3.677 20 0 GHADHM O=C(COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)Nc1ccccc1 ZINC000823040504 898805834 /nfs/dbraw/zinc/80/58/34/898805834.db2.gz MBOYFJNZZMDRAB-UHFFFAOYSA-N -1 3 387.399 3.677 20 0 GHADHM Brc1ccc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823831887 899262269 /nfs/dbraw/zinc/26/22/69/899262269.db2.gz GFYXSNZMBSFVLK-LBPRGKRZSA-N -1 3 378.274 3.533 20 0 GHADHM Brc1ccc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823831887 899262284 /nfs/dbraw/zinc/26/22/84/899262284.db2.gz GFYXSNZMBSFVLK-LBPRGKRZSA-N -1 3 378.274 3.533 20 0 GHADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C1CCOCC1 ZINC000824053388 899363520 /nfs/dbraw/zinc/36/35/20/899363520.db2.gz XYKATPOBBZMBOX-GFCCVEGCSA-N -1 3 383.477 3.596 20 0 GHADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C1CCOCC1 ZINC000824053388 899363531 /nfs/dbraw/zinc/36/35/31/899363531.db2.gz XYKATPOBBZMBOX-GFCCVEGCSA-N -1 3 383.477 3.596 20 0 GHADHM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824150182 899426636 /nfs/dbraw/zinc/42/66/36/899426636.db2.gz FKBFILLVMGMUPY-LUAWRHEFSA-N -1 3 395.381 3.844 20 0 GHADHM CC(C)[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824206579 899454783 /nfs/dbraw/zinc/45/47/83/899454783.db2.gz FKBDSVYCNCVORC-HNNXBMFYSA-N -1 3 391.884 3.546 20 0 GHADHM CC(C)[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824206579 899454787 /nfs/dbraw/zinc/45/47/87/899454787.db2.gz FKBDSVYCNCVORC-HNNXBMFYSA-N -1 3 391.884 3.546 20 0 GHADHM C[C@@H](CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1nccs1 ZINC000824414040 899610390 /nfs/dbraw/zinc/61/03/90/899610390.db2.gz STAJJVGBFSJPDB-JTQLQIEISA-N -1 3 385.884 3.765 20 0 GHADHM C[C@@H](CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)c1nccs1 ZINC000824414040 899610399 /nfs/dbraw/zinc/61/03/99/899610399.db2.gz STAJJVGBFSJPDB-JTQLQIEISA-N -1 3 385.884 3.765 20 0 GHADHM C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471275 899616206 /nfs/dbraw/zinc/61/62/06/899616206.db2.gz PXDWISKKAGDCQH-RYUDHWBXSA-N -1 3 389.381 3.909 20 0 GHADHM C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471275 899616215 /nfs/dbraw/zinc/61/62/15/899616215.db2.gz PXDWISKKAGDCQH-RYUDHWBXSA-N -1 3 389.381 3.909 20 0 GHADHM O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccc([O-])c(F)c1 ZINC000156274371 899631439 /nfs/dbraw/zinc/63/14/39/899631439.db2.gz KMFWZYRGDBMMIT-UHFFFAOYSA-N -1 3 381.379 3.512 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c2ccccc2O1 ZINC000332406498 899643121 /nfs/dbraw/zinc/64/31/21/899643121.db2.gz ZYLOLIAPLPLLIE-CYBMUJFWSA-N -1 3 386.395 3.681 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)nc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824520666 899656661 /nfs/dbraw/zinc/65/66/61/899656661.db2.gz BCAMZXISCAVLJI-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)nc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824520666 899656665 /nfs/dbraw/zinc/65/66/65/899656665.db2.gz BCAMZXISCAVLJI-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1C[C@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498511 899667954 /nfs/dbraw/zinc/66/79/54/899667954.db2.gz IMXRUJNAWGGDJS-TYILLQQXSA-N -1 3 376.464 3.550 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1C[C@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498511 899667962 /nfs/dbraw/zinc/66/79/62/899667962.db2.gz IMXRUJNAWGGDJS-TYILLQQXSA-N -1 3 376.464 3.550 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1F ZINC000824507856 899677548 /nfs/dbraw/zinc/67/75/48/899677548.db2.gz ZECRLAHNEVBNRT-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1F ZINC000824507856 899677551 /nfs/dbraw/zinc/67/75/51/899677551.db2.gz ZECRLAHNEVBNRT-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)OC)cc2)c(C)c1 ZINC000571010281 899712953 /nfs/dbraw/zinc/71/29/53/899712953.db2.gz YQFHYAKRDJSCPE-HNNXBMFYSA-N -1 3 391.489 3.546 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000332513140 899725431 /nfs/dbraw/zinc/72/54/31/899725431.db2.gz KVOWCEIUCPZZRM-CYBMUJFWSA-N -1 3 380.370 3.964 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824707122 899778215 /nfs/dbraw/zinc/77/82/15/899778215.db2.gz NSXSDODAQIBMPT-RFAUZJTJSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824707122 899778223 /nfs/dbraw/zinc/77/82/23/899778223.db2.gz NSXSDODAQIBMPT-RFAUZJTJSA-N -1 3 393.230 3.511 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826404246 899832172 /nfs/dbraw/zinc/83/21/72/899832172.db2.gz UGUDKPIQVRWRGU-UHFFFAOYSA-N -1 3 393.413 3.731 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826404246 899832182 /nfs/dbraw/zinc/83/21/82/899832182.db2.gz UGUDKPIQVRWRGU-UHFFFAOYSA-N -1 3 393.413 3.731 20 0 GHADHM O=c1cc(C(F)F)nc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC000571930515 900013049 /nfs/dbraw/zinc/01/30/49/900013049.db2.gz RDNYRRVZSRHESR-AWEZNQCLSA-N -1 3 381.448 3.503 20 0 GHADHM O=C(c1ccc(C2=CCCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000572050475 900045081 /nfs/dbraw/zinc/04/50/81/900045081.db2.gz IPHPGOVMDWAATH-UHFFFAOYSA-N -1 3 376.456 3.558 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000825287047 900071269 /nfs/dbraw/zinc/07/12/69/900071269.db2.gz IFYQKLBAOLOQNC-ZDUSSCGKSA-N -1 3 380.510 3.586 20 0 GHADHM CCCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291224 900072953 /nfs/dbraw/zinc/07/29/53/900072953.db2.gz OLMZJPZLWGIDAE-CVEARBPZSA-N -1 3 393.491 3.916 20 0 GHADHM CCCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291224 900072962 /nfs/dbraw/zinc/07/29/62/900072962.db2.gz OLMZJPZLWGIDAE-CVEARBPZSA-N -1 3 393.491 3.916 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000825297787 900077001 /nfs/dbraw/zinc/07/70/01/900077001.db2.gz FLYVTINDYUGWQJ-FQEVSTJZSA-N -1 3 381.476 3.766 20 0 GHADHM CCCCn1cc(CNc2ccc(Br)cc2-c2nnn[n-]2)c(C)n1 ZINC000825302234 900079116 /nfs/dbraw/zinc/07/91/16/900079116.db2.gz YPHCXTMQVWVTHV-UHFFFAOYSA-N -1 3 390.289 3.546 20 0 GHADHM CCCCn1cc(CNc2ccc(Br)cc2-c2nn[n-]n2)c(C)n1 ZINC000825302234 900079126 /nfs/dbraw/zinc/07/91/26/900079126.db2.gz YPHCXTMQVWVTHV-UHFFFAOYSA-N -1 3 390.289 3.546 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409007 900086149 /nfs/dbraw/zinc/08/61/49/900086149.db2.gz DVNMTOSUEJWKPR-UHFFFAOYSA-N -1 3 398.470 3.597 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409007 900086162 /nfs/dbraw/zinc/08/61/62/900086162.db2.gz DVNMTOSUEJWKPR-UHFFFAOYSA-N -1 3 398.470 3.597 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CCCCC1 ZINC001143631104 900251066 /nfs/dbraw/zinc/25/10/66/900251066.db2.gz VSWPYEQZFWIZRZ-HXUWFJFHSA-N -1 3 375.476 3.847 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C1CCCCC1 ZINC001143631104 900251078 /nfs/dbraw/zinc/25/10/78/900251078.db2.gz VSWPYEQZFWIZRZ-HXUWFJFHSA-N -1 3 375.476 3.847 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000572839771 900288232 /nfs/dbraw/zinc/28/82/32/900288232.db2.gz NRENZYDJLNRUFY-BVOGOJNSSA-N -1 3 378.472 3.558 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCCCNC(=O)OCc2ccccc2)c1[O-] ZINC000843886525 900289298 /nfs/dbraw/zinc/28/92/98/900289298.db2.gz PGWGYFXJFZSQOU-UHFFFAOYSA-N -1 3 384.432 3.630 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000843891452 900295077 /nfs/dbraw/zinc/29/50/77/900295077.db2.gz YVCUHABQJSYWMM-AWEZNQCLSA-N -1 3 376.453 3.571 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000826441044 900425052 /nfs/dbraw/zinc/42/50/52/900425052.db2.gz LETVYYXIRIAYAS-OAHLLOKOSA-N -1 3 398.417 3.521 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000826441044 900425063 /nfs/dbraw/zinc/42/50/63/900425063.db2.gz LETVYYXIRIAYAS-OAHLLOKOSA-N -1 3 398.417 3.521 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451781 900607311 /nfs/dbraw/zinc/60/73/11/900607311.db2.gz WHXGLYBGBCMFLY-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451781 900607751 /nfs/dbraw/zinc/60/77/51/900607751.db2.gz WHXGLYBGBCMFLY-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCCCS1 ZINC000826454627 900628768 /nfs/dbraw/zinc/62/87/68/900628768.db2.gz DJKJUBIOYIWVMO-SFHVURJKSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCCCS1 ZINC000826454627 900628774 /nfs/dbraw/zinc/62/87/74/900628774.db2.gz DJKJUBIOYIWVMO-SFHVURJKSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc2cc[nH]c2n1 ZINC000826455436 900630760 /nfs/dbraw/zinc/63/07/60/900630760.db2.gz NYFKEYDVPIZHPA-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc2cc[nH]c2n1 ZINC000826455436 900630765 /nfs/dbraw/zinc/63/07/65/900630765.db2.gz NYFKEYDVPIZHPA-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1csc2ccccc12)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826459757 900671226 /nfs/dbraw/zinc/67/12/26/900671226.db2.gz YHXOSNPJJKDAEK-QGZVFWFLSA-N -1 3 390.472 3.689 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@]3(C)C[C@@]3(F)Cl)cc2)cc(=O)[n-]1 ZINC000844508284 900912491 /nfs/dbraw/zinc/91/24/91/900912491.db2.gz ACXDXIJTEFIHLG-MSOLQXFVSA-N -1 3 378.835 3.984 20 0 GHADHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1 ZINC000068716137 901095435 /nfs/dbraw/zinc/09/54/35/901095435.db2.gz ZHWVPDURGXDWSR-UHFFFAOYSA-N -1 3 386.452 3.611 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cc2)n1 ZINC000575874398 901416803 /nfs/dbraw/zinc/41/68/03/901416803.db2.gz FTLLKVHBRWJYOD-UHFFFAOYSA-N -1 3 385.445 3.635 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576119758 901694364 /nfs/dbraw/zinc/69/43/64/901694364.db2.gz RFOLLUYNOPORFB-UHFFFAOYSA-N -1 3 388.265 3.631 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000887313204 901842130 /nfs/dbraw/zinc/84/21/30/901842130.db2.gz RTILQGNAMIFMEY-UHFFFAOYSA-N -1 3 392.496 3.501 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845192034 901911208 /nfs/dbraw/zinc/91/12/08/901911208.db2.gz IFUSITNXUDCODQ-UHFFFAOYSA-N -1 3 376.840 3.855 20 0 GHADHM O=C(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)N1CCCCC1 ZINC000576552796 902093658 /nfs/dbraw/zinc/09/36/58/902093658.db2.gz ICCMAERXOVZYJM-UHFFFAOYSA-N -1 3 377.444 3.588 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC001144428815 902135145 /nfs/dbraw/zinc/13/51/45/902135145.db2.gz CKVGUEXKCCONSS-GOSISDBHSA-N -1 3 390.443 3.679 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC001144428815 902135155 /nfs/dbraw/zinc/13/51/55/902135155.db2.gz CKVGUEXKCCONSS-GOSISDBHSA-N -1 3 390.443 3.679 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845418075 902164583 /nfs/dbraw/zinc/16/45/83/902164583.db2.gz WAEIEGQCASZPMT-JKSUJKDBSA-N -1 3 382.441 3.632 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3cc(C)ccc3n2)cc1OC ZINC000576770147 902247385 /nfs/dbraw/zinc/24/73/85/902247385.db2.gz FUUSQYYSBJAIMG-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC001186538843 914625680 /nfs/dbraw/zinc/62/56/80/914625680.db2.gz BEQXFRCGSOEELT-OSPHWJPCSA-N -1 3 386.583 3.663 20 0 GHADHM CN(C)[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1Cl ZINC001144633069 902540336 /nfs/dbraw/zinc/54/03/36/902540336.db2.gz CGRCEDGFATWNTC-INIZCTEOSA-N -1 3 385.266 3.800 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)cc1F ZINC001186575639 914642185 /nfs/dbraw/zinc/64/21/85/914642185.db2.gz VYFLLBKAJLPXJH-UHFFFAOYSA-N -1 3 379.384 3.712 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CF)cc1 ZINC001144735647 902773965 /nfs/dbraw/zinc/77/39/65/902773965.db2.gz USEGBKWRMVGPTB-UHFFFAOYSA-N -1 3 390.358 3.799 20 0 GHADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000846229300 902804075 /nfs/dbraw/zinc/80/40/75/902804075.db2.gz LCOXCZQHYWYFHU-IZZDOVSWSA-N -1 3 377.387 3.897 20 0 GHADHM CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1F ZINC001144756936 902815516 /nfs/dbraw/zinc/81/55/16/902815516.db2.gz QILSUSQCNJKJIA-SFHVURJKSA-N -1 3 380.423 3.502 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2s1 ZINC000887695090 903485996 /nfs/dbraw/zinc/48/59/96/903485996.db2.gz FLCYEYXDBNMSPE-UHFFFAOYSA-N -1 3 375.479 3.526 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(C(C)C)no2)nc1C(F)(F)F ZINC000578135830 903548590 /nfs/dbraw/zinc/54/85/90/903548590.db2.gz RIPPWLBSZLHBOF-UHFFFAOYSA-N -1 3 377.344 3.702 20 0 GHADHM CN(C(=O)c1cc([O-])cc(Br)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001146538063 903557691 /nfs/dbraw/zinc/55/76/91/903557691.db2.gz ICSKGHDNLYPWNY-QGZVFWFLSA-N -1 3 389.293 3.896 20 0 GHADHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC001147104393 903698616 /nfs/dbraw/zinc/69/86/16/903698616.db2.gz UQESCMZHUITXEO-OAHLLOKOSA-N -1 3 389.293 3.549 20 0 GHADHM CCSCc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000578306696 903717685 /nfs/dbraw/zinc/71/76/85/903717685.db2.gz OPNNKHLIRNLTJG-UHFFFAOYSA-N -1 3 398.528 3.680 20 0 GHADHM CSc1ccc(F)cc1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001147861365 903899570 /nfs/dbraw/zinc/89/95/70/903899570.db2.gz PJZRVUVUYNEVOQ-UHFFFAOYSA-N -1 3 378.375 3.597 20 0 GHADHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001148487292 904093560 /nfs/dbraw/zinc/09/35/60/904093560.db2.gz HLFXYKGNKCEZRH-UHFFFAOYSA-N -1 3 399.332 3.790 20 0 GHADHM CCc1nc(=N)n(C(=O)c2ccc(C)cc2[O-])c(N)c1-c1ccc(Cl)cc1 ZINC001148492783 904094770 /nfs/dbraw/zinc/09/47/70/904094770.db2.gz ROSZTKDFKLHYDM-UHFFFAOYSA-N -1 3 382.851 3.530 20 0 GHADHM O=C(CCNC(=O)c1cc([O-])ccc1Cl)Nc1ccc(Br)cc1 ZINC000578822152 904149107 /nfs/dbraw/zinc/14/91/07/904149107.db2.gz WYOFPWCFMDXHFB-UHFFFAOYSA-N -1 3 397.656 3.567 20 0 GHADHM O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000646706079 914795676 /nfs/dbraw/zinc/79/56/76/914795676.db2.gz AYQLSZHLYBEGCO-DNVCBOLYSA-N -1 3 379.378 3.559 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186793501 914811284 /nfs/dbraw/zinc/81/12/84/914811284.db2.gz UIHKRXFQBWVVFI-JTQLQIEISA-N -1 3 397.724 3.858 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2cc3ccccc3s2)C1)C(F)(F)F ZINC000290782326 914817790 /nfs/dbraw/zinc/81/77/90/914817790.db2.gz NGBINNCTWMQPAZ-LBPRGKRZSA-N -1 3 399.438 3.501 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000773231929 904595277 /nfs/dbraw/zinc/59/52/77/904595277.db2.gz IFHVNMXNIKFYFH-UHFFFAOYSA-N -1 3 375.425 3.599 20 0 GHADHM C[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000188147478 904879852 /nfs/dbraw/zinc/87/98/52/904879852.db2.gz FALAUBMPZZEESE-HIXWQLQUSA-N -1 3 375.428 3.525 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c(-c2ccccc2)s1 ZINC001186884737 914853651 /nfs/dbraw/zinc/85/36/51/914853651.db2.gz IXWIVMVCFHITRO-UHFFFAOYSA-N -1 3 394.468 3.918 20 0 GHADHM O=C(NCc1cccc(OCC(F)F)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646794829 914855673 /nfs/dbraw/zinc/85/56/73/914855673.db2.gz GCTZAGWQTBZQAY-UHFFFAOYSA-N -1 3 375.293 3.985 20 0 GHADHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCCN1Cc1ccc(F)cc1F ZINC000188560407 904940104 /nfs/dbraw/zinc/94/01/04/904940104.db2.gz JQLMJPMQQBOHMY-LVGSUZFTSA-N -1 3 378.806 3.934 20 0 GHADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189370877 905062320 /nfs/dbraw/zinc/06/23/20/905062320.db2.gz LQJDCELFSMJUHW-UHFFFAOYSA-N -1 3 388.855 3.689 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000626501870 905073667 /nfs/dbraw/zinc/07/36/67/905073667.db2.gz NREVSEYZZKIPMR-INIZCTEOSA-N -1 3 394.240 3.816 20 0 GHADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171914649 905145291 /nfs/dbraw/zinc/14/52/91/905145291.db2.gz HKNXVJNZLGPONJ-HOSILWTGSA-N -1 3 380.410 3.622 20 0 GHADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(C)cccc1[O-] ZINC000626591713 905166643 /nfs/dbraw/zinc/16/66/43/905166643.db2.gz ZKJYBTQCDFQAIF-UHFFFAOYSA-N -1 3 384.476 3.967 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC4(CCCCC4)[C@@H]3C(C)C)c(=O)c2c(OC)c1 ZINC000627721688 905723799 /nfs/dbraw/zinc/72/37/99/905723799.db2.gz JQPYSRPJQRVYRE-NRFANRHFSA-N -1 3 398.503 3.976 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000176629623 905901128 /nfs/dbraw/zinc/90/11/28/905901128.db2.gz XGUUEOHBRBBDLS-UHFFFAOYSA-N -1 3 378.881 3.906 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3cc4ccccc4o3)nc(=O)c2c1C ZINC000176678322 905913556 /nfs/dbraw/zinc/91/35/56/905913556.db2.gz NRJCSNHKZZWUPI-NSHDSACASA-N -1 3 397.456 3.677 20 0 GHADHM CC(C)[C@H](O)[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000628133068 905977095 /nfs/dbraw/zinc/97/70/95/905977095.db2.gz TXSMQTXBLROMJU-SJORKVTESA-N -1 3 378.266 3.643 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCc3ccccc3CC(C)C)c(=O)c2c(OC)c1 ZINC000628279888 906039045 /nfs/dbraw/zinc/03/90/45/906039045.db2.gz FWUPZNNWYFGAPY-UHFFFAOYSA-N -1 3 394.471 3.674 20 0 GHADHM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000177133131 906046571 /nfs/dbraw/zinc/04/65/71/906046571.db2.gz KQROHQZWHODLOI-UHFFFAOYSA-N -1 3 378.444 3.780 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000190653984 906207634 /nfs/dbraw/zinc/20/76/34/906207634.db2.gz RLWLQNLHEUDNDC-LLVKDONJSA-N -1 3 380.297 3.814 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190654101 906208899 /nfs/dbraw/zinc/20/88/99/906208899.db2.gz BMCAOKWEMLSWTH-HNNXBMFYSA-N -1 3 381.388 3.688 20 0 GHADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1n[nH]c2c1CCCCC2 ZINC000190844301 906353040 /nfs/dbraw/zinc/35/30/40/906353040.db2.gz TXQPWDLSYHCEQE-AWEZNQCLSA-N -1 3 391.258 3.947 20 0 GHADHM O=C([N-]NC(=O)NCc1ccccc1)c1cc(-c2ccccn2)ccc1Cl ZINC000190870572 906373567 /nfs/dbraw/zinc/37/35/67/906373567.db2.gz VLNQRAGTSUBUFW-UHFFFAOYSA-N -1 3 380.835 3.546 20 0 GHADHM N#CC(=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190926078 906449809 /nfs/dbraw/zinc/44/98/09/906449809.db2.gz QIEWQRSATBCXMK-OAHLLOKOSA-N -1 3 387.399 3.628 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1)c1ccc(F)cc1 ZINC000629286933 906675624 /nfs/dbraw/zinc/67/56/24/906675624.db2.gz BZRDSZASRYGNMO-OAHLLOKOSA-N -1 3 393.358 3.696 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(SC)c(Br)c1)C1CC1 ZINC000629310021 906695060 /nfs/dbraw/zinc/69/50/60/906695060.db2.gz RFDDWVUSGDOGQI-ZDUSSCGKSA-N -1 3 394.356 3.728 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629364342 906734867 /nfs/dbraw/zinc/73/48/67/906734867.db2.gz LVZVCRHVUHOKAK-QGZVFWFLSA-N -1 3 385.247 3.572 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@H]2CCC[C@@H]21 ZINC000629374144 906746157 /nfs/dbraw/zinc/74/61/57/906746157.db2.gz SKHDXUYELOYGAC-KFWWJZLASA-N -1 3 395.381 3.831 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)CCCc2ccccc2Cl)[n-]1 ZINC000181442985 907001855 /nfs/dbraw/zinc/00/18/55/907001855.db2.gz AUMPEYNNKVILIF-XMMPIXPASA-N -1 3 378.803 3.736 20 0 GHADHM CC(C)(O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001174407074 907043372 /nfs/dbraw/zinc/04/33/72/907043372.db2.gz KSDRZOQASABVFL-UHFFFAOYSA-N -1 3 375.277 3.604 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c(C)n1[C@@H]1CCOC1 ZINC000629953776 907069764 /nfs/dbraw/zinc/06/97/64/907069764.db2.gz UHGCEDYWIIWMCL-MRXNPFEDSA-N -1 3 384.867 3.784 20 0 GHADHM CCOCc1nnc([N-]Cc2csc(COc3ccc(Cl)cc3)n2)o1 ZINC000181844596 907089256 /nfs/dbraw/zinc/08/92/56/907089256.db2.gz WLANNNDRVRKSMO-UHFFFAOYSA-N -1 3 380.857 3.907 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)c(F)c(F)c2F)c(Cl)c1 ZINC001174631580 907122236 /nfs/dbraw/zinc/12/22/36/907122236.db2.gz KGIGWNDBDJKKIC-UHFFFAOYSA-N -1 3 396.749 3.520 20 0 GHADHM CCOc1nnc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)[n-]1 ZINC001174745001 907205281 /nfs/dbraw/zinc/20/52/81/907205281.db2.gz LGBATTOWTOKIFK-HNNXBMFYSA-N -1 3 390.802 3.755 20 0 GHADHM CCOc1nc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n[n-]1 ZINC001174745001 907205297 /nfs/dbraw/zinc/20/52/97/907205297.db2.gz LGBATTOWTOKIFK-HNNXBMFYSA-N -1 3 390.802 3.755 20 0 GHADHM CCOc1n[n-]c(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 ZINC001174745001 907205309 /nfs/dbraw/zinc/20/53/09/907205309.db2.gz LGBATTOWTOKIFK-HNNXBMFYSA-N -1 3 390.802 3.755 20 0 GHADHM O=C([O-])[C@H](CCCNCc1ncc(Br)cc1F)Cc1ccccc1 ZINC000630451146 907285727 /nfs/dbraw/zinc/28/57/27/907285727.db2.gz IXRUPLOCAOIZLV-CQSZACIVSA-N -1 3 395.272 3.797 20 0 GHADHM Cc1cc(Br)c(CNC2([C@@H](C)C(=O)[O-])CC2)cc1Br ZINC000630461536 907291984 /nfs/dbraw/zinc/29/19/84/907291984.db2.gz BQXPEYKDNAPVFI-VIFPVBQESA-N -1 3 391.103 3.863 20 0 GHADHM CCOc1cc(F)c(N(C([S-])=NC(=O)OC)c2ccccc2N)cc1F ZINC001175059147 907336463 /nfs/dbraw/zinc/33/64/63/907336463.db2.gz UBLYSLWVGRFWBD-UHFFFAOYSA-N -1 3 381.404 3.725 20 0 GHADHM CC(C)NC(=O)c1cc(Br)cnc1Nc1c(F)ccc([O-])c1F ZINC001175263610 907474294 /nfs/dbraw/zinc/47/42/94/907474294.db2.gz MSFIOMWGPLTTMA-UHFFFAOYSA-N -1 3 386.196 3.710 20 0 GHADHM O=C([N-]CC[C@@H]1CN(CC[C@@H](O)c2ccccc2)c2ccccc21)C(F)(F)F ZINC001175482897 907569785 /nfs/dbraw/zinc/56/97/85/907569785.db2.gz ADNGPBUEWBVWIC-VQIMIIECSA-N -1 3 392.421 3.783 20 0 GHADHM O=S(=O)([O-])c1cc(Cl)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505870 907593231 /nfs/dbraw/zinc/59/32/31/907593231.db2.gz JBLAWWFQBNHWGH-UHFFFAOYSA-N -1 3 378.881 3.788 20 0 GHADHM COc1cc(CN2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)cc2c1OCO2 ZINC000901598102 921385207 /nfs/dbraw/zinc/38/52/07/921385207.db2.gz APGXBKGJCLCOFK-IBGZPJMESA-N -1 3 397.471 3.894 20 0 GHADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)[N-]OC[C@H]1CCOC1 ZINC000188444500 908213393 /nfs/dbraw/zinc/21/33/93/908213393.db2.gz NTALMXMABBERAK-KRWDZBQOSA-N -1 3 376.456 3.837 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC001177028749 908370969 /nfs/dbraw/zinc/37/09/69/908370969.db2.gz DCADGMZZZLNULP-UHFFFAOYSA-N -1 3 384.363 3.544 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2ccncc2)CC1 ZINC000190585780 908503623 /nfs/dbraw/zinc/50/36/23/908503623.db2.gz DXBPKVAOSMLFCJ-UHFFFAOYSA-N -1 3 390.281 3.639 20 0 GHADHM CC(C)c1c(Cc2ccccc2)[n-]n(C2=Nc3c(cnn3C(C)(C)C)CN2)c1=O ZINC000634635735 908784382 /nfs/dbraw/zinc/78/43/82/908784382.db2.gz LWYZGIUNCBUQQQ-GOSISDBHSA-N -1 3 392.507 3.633 20 0 GHADHM O=C([O-])Nc1ccc(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000740703109 909172590 /nfs/dbraw/zinc/17/25/90/909172590.db2.gz NKGPCVRVKWBVHU-HXUWFJFHSA-N -1 3 381.476 3.662 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC(C)(C)C3)c2)c1 ZINC000266503537 909198742 /nfs/dbraw/zinc/19/87/42/909198742.db2.gz AKRURMUOJZKBPQ-UHFFFAOYSA-N -1 3 398.459 3.534 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCOc2cccc3ccccc32)[n-]n1 ZINC001179076209 909376115 /nfs/dbraw/zinc/37/61/15/909376115.db2.gz USSGRZBWWABYFK-UHFFFAOYSA-N -1 3 381.432 3.926 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCOc2cccc3ccccc32)n[n-]1 ZINC001179076209 909376135 /nfs/dbraw/zinc/37/61/35/909376135.db2.gz USSGRZBWWABYFK-UHFFFAOYSA-N -1 3 381.432 3.926 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000795236530 909410769 /nfs/dbraw/zinc/41/07/69/909410769.db2.gz ODVXEBLHIMQRCA-LSDHHAIUSA-N -1 3 389.304 3.569 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCc2ccccc2Br)n1 ZINC000636111710 909431207 /nfs/dbraw/zinc/43/12/07/909431207.db2.gz VADWNTRWBUKTPQ-UHFFFAOYSA-N -1 3 392.297 3.627 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)n1 ZINC000636115881 909436857 /nfs/dbraw/zinc/43/68/57/909436857.db2.gz VXJQYCZOGCQVCJ-QWHCGFSZSA-N -1 3 395.381 3.544 20 0 GHADHM Cc1nc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)s2)cs1 ZINC000636323955 909543941 /nfs/dbraw/zinc/54/39/41/909543941.db2.gz QZXKABQIEQBWIT-UHFFFAOYSA-N -1 3 386.502 3.873 20 0 GHADHM CCN(Cc1cccc([O-])c1Br)[C@H]1CCN(c2ccccc2)C1=O ZINC001179892968 909782453 /nfs/dbraw/zinc/78/24/53/909782453.db2.gz XQSMKSFOSDGCOI-INIZCTEOSA-N -1 3 389.293 3.782 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)c2F)[n-]n1 ZINC001179981614 909848586 /nfs/dbraw/zinc/84/85/86/909848586.db2.gz FZCLEZSFJAYXJL-UHFFFAOYSA-N -1 3 393.724 3.579 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)c2F)n[n-]1 ZINC001179981614 909848597 /nfs/dbraw/zinc/84/85/97/909848597.db2.gz FZCLEZSFJAYXJL-UHFFFAOYSA-N -1 3 393.724 3.579 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(COc3ccccc3Cl)n2C)n1 ZINC000268366161 909851769 /nfs/dbraw/zinc/85/17/69/909851769.db2.gz UEOLOIZNCYEKOU-NSHDSACASA-N -1 3 391.884 3.705 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)c2cccnc12 ZINC001179954125 909863881 /nfs/dbraw/zinc/86/38/81/909863881.db2.gz FPXUHXSUEGNFPA-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)c2cccnc12 ZINC001179954125 909863885 /nfs/dbraw/zinc/86/38/85/909863885.db2.gz FPXUHXSUEGNFPA-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc3c(cc(F)cc3Br)s2)[n-]1 ZINC001180173955 909974163 /nfs/dbraw/zinc/97/41/63/909974163.db2.gz GAZDCLVGQQWBQA-UHFFFAOYSA-N -1 3 398.213 3.565 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccn1Cc1cccs1 ZINC001180221840 910022589 /nfs/dbraw/zinc/02/25/89/910022589.db2.gz MGUADGNNVBGQMP-SHTZXODSSA-N -1 3 382.489 3.550 20 0 GHADHM CCO[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2F)[C@H]1Sc1ccccc1 ZINC000901760001 921541851 /nfs/dbraw/zinc/54/18/51/921541851.db2.gz VNBOJMAVKBQFEB-IPMKNSEASA-N -1 3 375.465 3.952 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3cc(OC)ccc3c2)cc1 ZINC000795365599 910067883 /nfs/dbraw/zinc/06/78/83/910067883.db2.gz IUPGSCHHSOXPKS-UHFFFAOYSA-N -1 3 387.457 3.674 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1CCC(C)C ZINC000268982663 910092216 /nfs/dbraw/zinc/09/22/16/910092216.db2.gz KJLUGLRJHFQQOJ-SFHVURJKSA-N -1 3 382.508 3.912 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ncc([O-])cc2Br)c1 ZINC001180510122 910219466 /nfs/dbraw/zinc/21/94/66/910219466.db2.gz YFXILFKFAGKMEL-UHFFFAOYSA-N -1 3 379.254 3.999 20 0 GHADHM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)[C@H](C)N1CCCC1 ZINC001180584941 910256397 /nfs/dbraw/zinc/25/63/97/910256397.db2.gz MRBGITLQUQOKHZ-NSHDSACASA-N -1 3 398.347 3.730 20 0 GHADHM CC[C@]1(C(=O)Nc2c([O-])cccc2C(C)=O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180885842 910389146 /nfs/dbraw/zinc/38/91/46/910389146.db2.gz VFDKDACJSPIDAT-NRFANRHFSA-N -1 3 390.480 3.961 20 0 GHADHM CCOc1cc(CN2CCc3nnn(C4CC(C)C4)c3C2)cc(Cl)c1[O-] ZINC000639384551 910404251 /nfs/dbraw/zinc/40/42/51/910404251.db2.gz NFXRGTFCBOCYQH-UHFFFAOYSA-N -1 3 376.888 3.565 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([O-])c1 ZINC000299679941 921576512 /nfs/dbraw/zinc/57/65/12/921576512.db2.gz REVFFEACMDAAHO-CQSZACIVSA-N -1 3 397.406 3.610 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000270171090 910468176 /nfs/dbraw/zinc/46/81/76/910468176.db2.gz HNRPYWYMDSCTOO-CYBMUJFWSA-N -1 3 384.377 3.642 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001181282427 910680807 /nfs/dbraw/zinc/68/08/07/910680807.db2.gz PBBPWSFLBDDOID-ZIAGYGMSSA-N -1 3 376.453 3.617 20 0 GHADHM COc1cc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(OC)c1 ZINC001181464554 910778208 /nfs/dbraw/zinc/77/82/08/910778208.db2.gz KMZZCASNMOCIFK-UHFFFAOYSA-N -1 3 391.467 3.973 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCC(C(=O)Nc1ccc(F)c([O-])c1)CC2 ZINC001181502000 910805291 /nfs/dbraw/zinc/80/52/91/910805291.db2.gz MDZIPPBTYYWADG-UHFFFAOYSA-N -1 3 378.444 3.897 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000271229119 910825920 /nfs/dbraw/zinc/82/59/20/910825920.db2.gz SUZUVJVOFMEBNC-AWEZNQCLSA-N -1 3 375.490 3.752 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N(Cc1ccc(F)cc1)C1CC1 ZINC000640291904 910953510 /nfs/dbraw/zinc/95/35/10/910953510.db2.gz FIVNDNMMRNTYML-UHFFFAOYSA-N -1 3 390.768 3.856 20 0 GHADHM O=C(CCCc1ccc(Cl)cc1)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001181872297 911053171 /nfs/dbraw/zinc/05/31/71/911053171.db2.gz CBHGPNQKEZBXEH-UHFFFAOYSA-N -1 3 382.851 3.845 20 0 GHADHM Cc1coc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)cc12 ZINC000774005453 911227460 /nfs/dbraw/zinc/22/74/60/911227460.db2.gz RBROETSHEZERLY-UHFFFAOYSA-N -1 3 390.436 3.819 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000091892234 911317588 /nfs/dbraw/zinc/31/75/88/911317588.db2.gz JWLZTOLTMBHMAH-UHFFFAOYSA-N -1 3 391.342 3.736 20 0 GHADHM COCC1(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1 ZINC000641683652 911482343 /nfs/dbraw/zinc/48/23/43/911482343.db2.gz RDCANJKNJOEQIA-UHFFFAOYSA-N -1 3 394.880 3.513 20 0 GHADHM CCOc1ccc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)cc1OCC ZINC000901871156 921665409 /nfs/dbraw/zinc/66/54/09/921665409.db2.gz LPTQDLWVAGCBIP-UHFFFAOYSA-N -1 3 387.480 3.524 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000901870665 921665423 /nfs/dbraw/zinc/66/54/23/921665423.db2.gz FBQCVEAIAABDHF-UHFFFAOYSA-N -1 3 383.492 3.830 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c[n-]c12 ZINC001182708032 911990593 /nfs/dbraw/zinc/99/05/93/911990593.db2.gz QUDLHQBLJHQGPB-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM CC(C)(C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(C(=O)C2CC2)cc1 ZINC001183029875 912203902 /nfs/dbraw/zinc/20/39/02/912203902.db2.gz IUAZTJYEMUCRPJ-UHFFFAOYSA-N -1 3 391.427 3.550 20 0 GHADHM O=S(=O)([N-]CCOC1CCCCCC1)c1csnc1-c1ccccc1 ZINC001186996089 914964133 /nfs/dbraw/zinc/96/41/33/914964133.db2.gz HNFQIOAKGSAVFW-UHFFFAOYSA-N -1 3 380.535 3.828 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCc1ccccc1 ZINC001187039061 914972348 /nfs/dbraw/zinc/97/23/48/914972348.db2.gz QSBVCNZWNFPQTL-IBGZPJMESA-N -1 3 393.549 3.644 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CC1 ZINC000291126331 914995086 /nfs/dbraw/zinc/99/50/86/914995086.db2.gz YHFZACZPYFVRMR-YOEHRIQHSA-N -1 3 397.441 3.546 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cnn(CC(F)(F)F)c1 ZINC001187036067 915007547 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C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1cccc(Cl)c1 ZINC001187384608 915243487 /nfs/dbraw/zinc/24/34/87/915243487.db2.gz LAYSHAUJRLVUCX-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1nc(-c2cccc(F)c2)no1 ZINC001187633856 915401532 /nfs/dbraw/zinc/40/15/32/915401532.db2.gz KHIUPZRWXZYPMT-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCCC2)c1)c1ccc(Cl)nc1Cl ZINC001187960990 915648647 /nfs/dbraw/zinc/64/86/47/915648647.db2.gz NLDPCWWQWJAWBE-UHFFFAOYSA-N -1 3 386.304 3.785 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188088976 915747200 /nfs/dbraw/zinc/74/72/00/915747200.db2.gz YSIYXUSUWOREMU-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1cnc(-c2ccccc2)s1 ZINC001188222015 915842428 /nfs/dbraw/zinc/84/24/28/915842428.db2.gz GCXIUYAYSYPYHN-OAHLLOKOSA-N -1 3 378.519 3.580 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccc(F)cc2O1 ZINC001188460481 915985293 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391.464 3.523 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)Nc1cccc([O-])c1Cl ZINC001188680957 916104977 /nfs/dbraw/zinc/10/49/77/916104977.db2.gz GGDKLLJCBUTPDQ-UHFFFAOYSA-N -1 3 376.659 3.750 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(F)cn1 ZINC001188720989 916153231 /nfs/dbraw/zinc/15/32/31/916153231.db2.gz KMKYBSIVJOABFZ-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098074851 916167417 /nfs/dbraw/zinc/16/74/17/916167417.db2.gz AGEMHHKRVZWRSJ-UHFFFAOYSA-N -1 3 395.352 3.800 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)ccc2N1 ZINC001188891926 916280035 /nfs/dbraw/zinc/28/00/35/916280035.db2.gz HCATXLKILUGRGR-UHFFFAOYSA-N -1 3 395.440 3.559 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@H]2C)cc1F ZINC001188995663 916330782 /nfs/dbraw/zinc/33/07/82/916330782.db2.gz WKGMRUCFOUVJNK-BLVKFPJESA-N -1 3 381.444 3.965 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1cc(C(F)(F)F)ccc1F ZINC001189126527 916414750 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COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cc(Cl)cc1C)c1ccc(C)c(C)c1 ZINC001189532242 916728775 /nfs/dbraw/zinc/72/87/75/916728775.db2.gz MSJFRHUEXPIQDL-QGZVFWFLSA-N -1 3 395.908 3.766 20 0 GHADHM O=C(c1ccncc1)c1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1 ZINC001189691265 916831597 /nfs/dbraw/zinc/83/15/97/916831597.db2.gz RBYZLOKILDMEEN-UHFFFAOYSA-N -1 3 388.395 3.533 20 0 GHADHM CC(C)(C)C(=O)Nc1cnccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001189767086 916904145 /nfs/dbraw/zinc/90/41/45/916904145.db2.gz GHOUQQVOPOIMJO-UHFFFAOYSA-N -1 3 392.253 3.787 20 0 GHADHM O=C(NCCOc1cccc2ccoc21)c1cccc(OC(F)(F)F)c1[O-] ZINC001189774919 916910368 /nfs/dbraw/zinc/91/03/68/916910368.db2.gz JNKLTHUCBSYWPZ-UHFFFAOYSA-N -1 3 381.306 3.846 20 0 GHADHM O=c1[n-]c(SCCCOC(F)(F)F)nc2c1cnn2Cc1ccccc1 ZINC001189788980 916923493 /nfs/dbraw/zinc/92/34/93/916923493.db2.gz WLGOJAKJHVRUGC-UHFFFAOYSA-N -1 3 384.383 3.599 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC001189845272 916975403 /nfs/dbraw/zinc/97/54/03/916975403.db2.gz AXXFPOWCIMNFDF-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000650505427 917040864 /nfs/dbraw/zinc/04/08/64/917040864.db2.gz CSKMXSRTDDVYJV-WIYYLYMNSA-N -1 3 376.472 3.502 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2Cl)ccc1F ZINC001190057519 917081567 /nfs/dbraw/zinc/08/15/67/917081567.db2.gz ALOUAYZOVPHZLI-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2Cl)ccc1F ZINC001190057520 917081975 /nfs/dbraw/zinc/08/19/75/917081975.db2.gz ALOUAYZOVPHZLI-QMMMGPOBSA-N -1 3 379.240 3.576 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1c(F)cncc1F ZINC001190109134 917111071 /nfs/dbraw/zinc/11/10/71/917111071.db2.gz VBYBZZSULNPBPL-SSDOTTSWSA-N -1 3 398.765 3.654 20 0 GHADHM COc1cc([O-])c(C(=O)NCCc2cc(C(F)(F)F)ccc2F)c(OC)c1 ZINC001190144806 917126208 /nfs/dbraw/zinc/12/62/08/917126208.db2.gz YUOMDVMCXCKIFO-UHFFFAOYSA-N -1 3 387.329 3.540 20 0 GHADHM O=C([N-]c1ncccn1)c1nnsc1Sc1ccc(C(F)(F)F)cc1 ZINC001190293371 917250086 /nfs/dbraw/zinc/25/00/86/917250086.db2.gz HGDIPINXRSZYMN-UHFFFAOYSA-N -1 3 383.380 3.750 20 0 GHADHM COC(=O)c1ccnc(Cl)c1[N-]C(=O)c1sc(C)nc1C(F)(F)F ZINC001190488854 917346646 /nfs/dbraw/zinc/34/66/46/917346646.db2.gz OVXFZBLFLLUVPX-UHFFFAOYSA-N -1 3 379.747 3.558 20 0 GHADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2sc(C)cc2Br)cc1 ZINC001190586857 917432364 /nfs/dbraw/zinc/43/23/64/917432364.db2.gz BPUBPNJKPYZZCY-UHFFFAOYSA-N -1 3 386.336 3.983 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC001190602491 917443057 /nfs/dbraw/zinc/44/30/57/917443057.db2.gz QUVAJIFFEAEPRC-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM CCOC(=O)C(=Cc1ncc(Cl)n1C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000295841951 917540582 /nfs/dbraw/zinc/54/05/82/917540582.db2.gz IBYJDSPFSNIYHU-POHAHGRESA-N -1 3 392.868 3.504 20 0 GHADHM O=C(NCCCc1ccccc1)Nc1ccc([O-])c(I)c1 ZINC001191199563 917818338 /nfs/dbraw/zinc/81/83/38/917818338.db2.gz AVKOJFDQLYQOKV-UHFFFAOYSA-N -1 3 396.228 3.751 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(CC(=O)OC)c2)cc1 ZINC001191253827 917848392 /nfs/dbraw/zinc/84/83/92/917848392.db2.gz OVANQRFMWMBXMI-UHFFFAOYSA-N -1 3 375.490 3.854 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCOCC2)cc1 ZINC001191254587 917850082 /nfs/dbraw/zinc/85/00/82/917850082.db2.gz XXCXTYZGAIXKDQ-UHFFFAOYSA-N -1 3 392.496 3.806 20 0 GHADHM COc1ccc(-c2nc(SCc3noc(-c4ccccc4[O-])n3)n[nH]2)cc1 ZINC000363195626 917896949 /nfs/dbraw/zinc/89/69/49/917896949.db2.gz DPZIHNSGSWULPY-UHFFFAOYSA-N -1 3 381.417 3.528 20 0 GHADHM Cc1cnc(CCN(C)[C@H](C(=O)[O-])c2ccc(Br)cc2F)s1 ZINC000652432444 917899457 /nfs/dbraw/zinc/89/94/57/917899457.db2.gz FJAFEMYJJDJDGX-AWEZNQCLSA-N -1 3 387.274 3.653 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-][C@H](C2CCC2)C(F)(F)F)c1 ZINC001191318434 917930515 /nfs/dbraw/zinc/93/05/15/917930515.db2.gz GGKIYAJYYGDUEH-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000652846469 918027002 /nfs/dbraw/zinc/02/70/02/918027002.db2.gz ODTNWLLTZYELRZ-RISCZKNCSA-N -1 3 375.856 3.647 20 0 GHADHM COc1ccc(C[C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000652850283 918031513 /nfs/dbraw/zinc/03/15/13/918031513.db2.gz AEHPZFCHDFJHIT-GOSISDBHSA-N -1 3 382.460 3.597 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)cc4nc[nH]c43)c2)n1 ZINC000363291299 918038248 /nfs/dbraw/zinc/03/82/48/918038248.db2.gz APPPVLFZOBGHSS-UHFFFAOYSA-N -1 3 377.379 3.679 20 0 GHADHM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1c(Cl)nccc1C(C)=O ZINC001191663756 918124021 /nfs/dbraw/zinc/12/40/21/918124021.db2.gz YASADQCGZGGSNQ-UHFFFAOYSA-N -1 3 382.869 3.870 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C1CCCCCC1 ZINC001191896651 918287116 /nfs/dbraw/zinc/28/71/16/918287116.db2.gz OOGUIPRMDCZCPL-IBGZPJMESA-N -1 3 381.538 3.625 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)nnc3Cl)ccc2c1 ZINC001191936238 918307047 /nfs/dbraw/zinc/30/70/47/918307047.db2.gz HWZKONXSXNXQBF-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1ccc(OCC(F)(F)F)o1)OCCO2 ZINC000653610084 918353708 /nfs/dbraw/zinc/35/37/08/918353708.db2.gz VRXOVQWRDRSNFF-UHFFFAOYSA-N -1 3 389.351 3.966 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2cccc(F)c2)CCCCCC1 ZINC001192085515 918382307 /nfs/dbraw/zinc/38/23/07/918382307.db2.gz PTJQPJKTHJEVSK-UHFFFAOYSA-N -1 3 385.501 3.680 20 0 GHADHM O=S(=O)([N-]CC1(F)CCC1)c1cc(C(F)(F)F)ccc1Br ZINC001192219740 918548019 /nfs/dbraw/zinc/54/80/19/918548019.db2.gz ZQEAZOJWNCMYOO-UHFFFAOYSA-N -1 3 390.196 3.638 20 0 GHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@@H]1c1ccncc1 ZINC000297325468 919245294 /nfs/dbraw/zinc/24/52/94/919245294.db2.gz NIYFOAYWXBLLAN-MRXNPFEDSA-N -1 3 390.281 3.842 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000020821060 919663015 /nfs/dbraw/zinc/66/30/15/919663015.db2.gz DIIBPDBKNNAQFK-UHFFFAOYSA-N -1 3 385.803 3.779 20 0 GHADHM CCc1[nH]nc(Cl)c1CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000900040469 919767114 /nfs/dbraw/zinc/76/71/14/919767114.db2.gz FIIWUDXZSZWBCO-CYBMUJFWSA-N -1 3 376.671 3.718 20 0 GHADHM Cc1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)cnc1F ZINC000900047829 919771574 /nfs/dbraw/zinc/77/15/74/919771574.db2.gz VYEVBAVOZFIXCN-HNNXBMFYSA-N -1 3 381.245 3.987 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)c3cc(F)cc4[n-]nnc43)c2cc1C(C)C ZINC000800259055 919796610 /nfs/dbraw/zinc/79/66/10/919796610.db2.gz JEOCQQCCEAWZTD-UHFFFAOYSA-N -1 3 395.390 3.992 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)c3cc(F)cc4nn[n-]c43)c2cc1C(C)C ZINC000800259055 919796617 /nfs/dbraw/zinc/79/66/17/919796617.db2.gz JEOCQQCCEAWZTD-UHFFFAOYSA-N -1 3 395.390 3.992 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)c3cc(F)cc4n[n-]nc43)c2cc1C(C)C ZINC000800259055 919796632 /nfs/dbraw/zinc/79/66/32/919796632.db2.gz JEOCQQCCEAWZTD-UHFFFAOYSA-N -1 3 395.390 3.992 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc3[n-]nnc32)c(Cl)c1 ZINC000800263202 919800687 /nfs/dbraw/zinc/80/06/87/919800687.db2.gz TUMSXKPMSSJYHP-SNVBAGLBSA-N -1 3 390.802 3.551 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc3nn[n-]c32)c(Cl)c1 ZINC000800263202 919800696 /nfs/dbraw/zinc/80/06/96/919800696.db2.gz TUMSXKPMSSJYHP-SNVBAGLBSA-N -1 3 390.802 3.551 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc3n[n-]nc32)c(Cl)c1 ZINC000800263202 919800709 /nfs/dbraw/zinc/80/07/09/919800709.db2.gz TUMSXKPMSSJYHP-SNVBAGLBSA-N -1 3 390.802 3.551 20 0 GHADHM Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000900320465 920177899 /nfs/dbraw/zinc/17/78/99/920177899.db2.gz ZGRGMDPCSLQPPW-JOCHJYFZSA-N -1 3 381.476 3.544 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3nc2Br)cn1 ZINC000800931930 920616060 /nfs/dbraw/zinc/61/60/60/920616060.db2.gz GZRNWWVTEJKHSI-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c(C)c1Cl ZINC000800951693 920636204 /nfs/dbraw/zinc/63/62/04/920636204.db2.gz MHGVXAHPYGMFTH-QMMMGPOBSA-N -1 3 379.912 3.598 20 0 GHADHM O=C(OCc1ncnn1CCF)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000801278540 920899142 /nfs/dbraw/zinc/89/91/42/920899142.db2.gz JOZBBSCTKXSDAG-UHFFFAOYSA-N -1 3 375.787 3.631 20 0 GHADHM O=C([O-])c1nn(-c2ccccc2)cc1CN1CCC(COc2ccccc2)CC1 ZINC000901428019 921096610 /nfs/dbraw/zinc/09/66/10/921096610.db2.gz TWZCBWCTPOMEGN-UHFFFAOYSA-N -1 3 391.471 3.862 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000902198422 921975582 /nfs/dbraw/zinc/97/55/82/921975582.db2.gz VYXOBOLMYSJRNE-UHFFFAOYSA-N -1 3 396.491 3.694 20 0 GHADHM O=C([O-])c1cccc2c(CNC[C@H](OC3CCCC3)C(F)(F)F)ccnc12 ZINC000902219553 921999483 /nfs/dbraw/zinc/99/94/83/921999483.db2.gz WOYZSZXADMERFW-INIZCTEOSA-N -1 3 382.382 3.913 20 0 GHADHM C[C@H](CNCc1cccc(C(=O)[O-])n1)Sc1ccc(Br)cc1 ZINC000902246731 922028512 /nfs/dbraw/zinc/02/85/12/922028512.db2.gz NMIUCWCOKXLSQK-LLVKDONJSA-N -1 3 381.295 3.813 20 0 GHADHM Cc1ccc(N2CCC[C@H](NCc3ccnc4c(C(=O)[O-])cccc34)C2=O)cc1 ZINC000902326809 922092042 /nfs/dbraw/zinc/09/20/42/922092042.db2.gz XSSYKUWHCONWJH-FQEVSTJZSA-N -1 3 389.455 3.527 20 0 GHADHM COc1cc(CC2CN(Cc3ccnc4c(C(=O)[O-])cccc34)C2)cc(OC)c1 ZINC000902395740 922159229 /nfs/dbraw/zinc/15/92/29/922159229.db2.gz GLIXHQWBHJXZIQ-UHFFFAOYSA-N -1 3 392.455 3.625 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1)C(=O)[O-] ZINC000902453114 922206131 /nfs/dbraw/zinc/20/61/31/922206131.db2.gz PEARORIEZARXLR-QGZVFWFLSA-N -1 3 379.456 3.979 20 0 GHADHM CSCC[C@@H](C)N(C)Cc1cc(C)cc(Br)c1OCC(=O)[O-] ZINC000902538998 922264421 /nfs/dbraw/zinc/26/44/21/922264421.db2.gz ALKLBZFAHVKQFF-GFCCVEGCSA-N -1 3 390.343 3.794 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(Br)cc2C1 ZINC000803544869 923081399 /nfs/dbraw/zinc/08/13/99/923081399.db2.gz KJZRFVVOYIACQY-UHFFFAOYSA-N -1 3 390.281 3.575 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000903598993 923115947 /nfs/dbraw/zinc/11/59/47/923115947.db2.gz YXYJSVMLVWGDIQ-OAQYLSRUSA-N -1 3 383.488 3.926 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Br)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903626383 923136047 /nfs/dbraw/zinc/13/60/47/923136047.db2.gz AGCFWVORPJWDIL-WCQYABFASA-N -1 3 396.178 3.941 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c(C2CCCC2)n1 ZINC000903631528 923139709 /nfs/dbraw/zinc/13/97/09/923139709.db2.gz AQLCQTOQEMQQKV-UHFFFAOYSA-N -1 3 375.281 3.580 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(CCOc2cccc(Br)c2)CC1 ZINC000903919724 923399204 /nfs/dbraw/zinc/39/92/04/923399204.db2.gz CDROJGUICVNUPR-UHFFFAOYSA-N -1 3 396.203 3.557 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952300 923433014 /nfs/dbraw/zinc/43/30/14/923433014.db2.gz XIRQOMCANWBJMR-WLHTULFXSA-N -1 3 388.489 3.858 20 0 GHADHM COc1ccc2c(COC(=O)c3cc(F)cc(Cl)c3[O-])cc(=O)oc2c1 ZINC000748474608 923660381 /nfs/dbraw/zinc/66/03/81/923660381.db2.gz IQMJIOKJCMRNRL-UHFFFAOYSA-N -1 3 378.739 3.657 20 0 GHADHM O=C([N-]c1ccc(=O)n(Cc2ccccc2)c1)c1c(F)c(F)cc(F)c1F ZINC000748532236 923706266 /nfs/dbraw/zinc/70/62/66/923706266.db2.gz GOVTVOCZWBUPRB-UHFFFAOYSA-N -1 3 376.309 3.705 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c1Cl ZINC000676848373 924109861 /nfs/dbraw/zinc/10/98/61/924109861.db2.gz FOQUFEFIVNSOAM-CYBMUJFWSA-N -1 3 396.242 3.592 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000676863703 924116235 /nfs/dbraw/zinc/11/62/35/924116235.db2.gz FWIHTGMNEGPMLY-LBPRGKRZSA-N -1 3 394.345 3.992 20 0 GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000676893390 924134003 /nfs/dbraw/zinc/13/40/03/924134003.db2.gz WYCPNFSTLBRSJC-UHFFFAOYSA-N -1 3 380.535 3.825 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000409472713 924672884 /nfs/dbraw/zinc/67/28/84/924672884.db2.gz ZMJWRWGKADRWAC-ZDUSSCGKSA-N -1 3 381.519 3.569 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000678324953 924724991 /nfs/dbraw/zinc/72/49/91/924724991.db2.gz KQLAISMQCMCQEZ-IBGZPJMESA-N -1 3 393.443 3.738 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000371678020 924768466 /nfs/dbraw/zinc/76/84/66/924768466.db2.gz XKCJTHCJMPQNTR-UHFFFAOYSA-N -1 3 381.457 3.636 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(=O)[n-]1 ZINC000680203840 925392916 /nfs/dbraw/zinc/39/29/16/925392916.db2.gz IYFYTAIPOHVEHA-UHFFFAOYSA-N -1 3 375.388 3.621 20 0 GHADHM O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000680431920 925475973 /nfs/dbraw/zinc/47/59/73/925475973.db2.gz TYEDZHZWUMMNJG-INIZCTEOSA-N -1 3 378.394 3.767 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000410423202 925631083 /nfs/dbraw/zinc/63/10/83/925631083.db2.gz ZVLWRECGKCTZRK-UHFFFAOYSA-N -1 3 397.500 3.910 20 0 GHADHM Cc1cnc(S(C)(=O)=O)nc1C(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000410453651 925656332 /nfs/dbraw/zinc/65/63/32/925656332.db2.gz XVELTOVOONRZJO-UHFFFAOYSA-N -1 3 399.925 3.595 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cnc(CCC(F)(F)F)s1 ZINC000827516946 925744246 /nfs/dbraw/zinc/74/42/46/925744246.db2.gz YITKHVJAUQFLDC-UHFFFAOYSA-N -1 3 392.428 3.636 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc(C)oc3C(F)(F)F)n[nH]2)cc1OC ZINC000681193212 925757986 /nfs/dbraw/zinc/75/79/86/925757986.db2.gz TZWSLUXWJRSVGE-UHFFFAOYSA-N -1 3 396.325 3.661 20 0 GHADHM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000373455483 926148526 /nfs/dbraw/zinc/14/85/26/926148526.db2.gz QSTNCIUGZQOPLN-UHFFFAOYSA-N -1 3 389.455 3.972 20 0 GHADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000682706178 926212994 /nfs/dbraw/zinc/21/29/94/926212994.db2.gz FXUCHIUQAIZWAQ-UHFFFAOYSA-N -1 3 397.378 3.880 20 0 GHADHM O=c1nc(CN(CCCCO)C2CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000411284188 926276267 /nfs/dbraw/zinc/27/62/67/926276267.db2.gz MXHXHXQSRBQJLP-UHFFFAOYSA-N -1 3 387.480 3.528 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000383539594 926358091 /nfs/dbraw/zinc/35/80/91/926358091.db2.gz DFZOUCNRDCPZKY-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOc1cc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)ccc1OC(F)F ZINC000411506413 926458543 /nfs/dbraw/zinc/45/85/43/926458543.db2.gz XYGQLNRFHSADMX-UHFFFAOYSA-N -1 3 379.359 3.525 20 0 GHADHM O=C(NCC(F)F)[C@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001276172082 926569919 /nfs/dbraw/zinc/56/99/19/926569919.db2.gz ATRNZJVSLGNZET-GFCCVEGCSA-N -1 3 393.261 3.682 20 0 GHADHM CC(C)CN1C(=O)C[C@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276172934 926577176 /nfs/dbraw/zinc/57/71/76/926577176.db2.gz RMZYIMHVHMPRFN-IBGZPJMESA-N -1 3 399.318 3.696 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc1[O-] ZINC000412206490 927207892 /nfs/dbraw/zinc/20/78/92/927207892.db2.gz SWUQLJOZQILMNV-UHFFFAOYSA-N -1 3 381.350 3.604 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000749756328 927260724 /nfs/dbraw/zinc/26/07/24/927260724.db2.gz HGCLFDPFRUKAHT-GFCCVEGCSA-N -1 3 381.498 3.711 20 0 GHADHM CN(c1ccc(NC(=O)N2CCc3nc[n-]c(=O)c3C2)cc1F)C1CCCCC1 ZINC000750568782 927721499 /nfs/dbraw/zinc/72/14/99/927721499.db2.gz ALSSPHCWQSTBNA-UHFFFAOYSA-N -1 3 399.470 3.680 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1F ZINC000751357180 928153428 /nfs/dbraw/zinc/15/34/28/928153428.db2.gz FXCAGQFUYJQMSA-LBPRGKRZSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c([O-])c1C ZINC000751418333 928183640 /nfs/dbraw/zinc/18/36/40/928183640.db2.gz XOEVBSCPIOKQQS-QGZVFWFLSA-N -1 3 378.472 3.766 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](O)c1c(Cl)cccc1Cl ZINC000751476916 928212052 /nfs/dbraw/zinc/21/20/52/928212052.db2.gz VOZUWIIHWSANKP-AYVTZFPOSA-N -1 3 396.242 3.672 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](O)c1cccc(F)c1 ZINC000751488363 928217950 /nfs/dbraw/zinc/21/79/50/928217950.db2.gz RQTXHCXKWFCLQS-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ncc(CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c(=O)[n-]1 ZINC000544124967 928835305 /nfs/dbraw/zinc/83/53/05/928835305.db2.gz UWCIUMZCEWTCGS-UHFFFAOYSA-N -1 3 390.472 3.658 20 0 GHADHM O=C(CCCCCNC(=O)c1c[n-]c2ccccc2c1=O)OCc1ccccc1 ZINC000752766094 929011894 /nfs/dbraw/zinc/01/18/94/929011894.db2.gz XVRFCZDGCZOSRP-UHFFFAOYSA-N -1 3 392.455 3.562 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[O-] ZINC000753213763 929255366 /nfs/dbraw/zinc/25/53/66/929255366.db2.gz HQEGOPWBJINGSF-SZMVWBNQSA-N -1 3 388.508 3.720 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000544553157 929281140 /nfs/dbraw/zinc/28/11/40/929281140.db2.gz ILHDLVFGGJDOMB-CHWSQXEVSA-N -1 3 395.484 3.912 20 0 GHADHM O=C(CCC(=O)c1ccc(F)c(F)c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467713765 929329267 /nfs/dbraw/zinc/32/92/67/929329267.db2.gz KIXLQUQAGVMLNF-UHFFFAOYSA-N -1 3 391.324 3.657 20 0 GHADHM CCn1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(=O)c2cc(Cl)ccc21 ZINC000544610426 929341464 /nfs/dbraw/zinc/34/14/64/929341464.db2.gz OECFZYZDEQCJMF-UHFFFAOYSA-N -1 3 392.846 3.739 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1n1cccn1)c1cc(C(F)(F)F)ccc1F ZINC000467789635 929422479 /nfs/dbraw/zinc/42/24/79/929422479.db2.gz UPSJQWPAYGLTNH-UONOGXRCSA-N -1 3 391.390 3.503 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c1Cl ZINC000467797985 929433720 /nfs/dbraw/zinc/43/37/20/929433720.db2.gz WSHSBFPITLZLMZ-UONOGXRCSA-N -1 3 388.320 3.961 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000753612800 929446266 /nfs/dbraw/zinc/44/62/66/929446266.db2.gz ZENLULVIMBTBPJ-UBYNWHESSA-N -1 3 376.400 3.762 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cnc4nccnc4c3)n2)cc1 ZINC000544721057 929497188 /nfs/dbraw/zinc/49/71/88/929497188.db2.gz AFYKVIMLFXYBHV-UHFFFAOYSA-N -1 3 380.458 3.518 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000753843865 929560288 /nfs/dbraw/zinc/56/02/88/929560288.db2.gz XNVDFUWETXKNON-UHFFFAOYSA-N -1 3 394.718 3.890 20 0 GHADHM CON(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCCC1 ZINC000757630918 929751098 /nfs/dbraw/zinc/75/10/98/929751098.db2.gz VLXCWZNLWBENCD-UHFFFAOYSA-N -1 3 392.452 3.573 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000545993759 929753450 /nfs/dbraw/zinc/75/34/50/929753450.db2.gz LGLGXMQXHHVXOZ-UHFFFAOYSA-N -1 3 396.466 3.997 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000546008989 929768506 /nfs/dbraw/zinc/76/85/06/929768506.db2.gz GCCMCONZRSSXIW-UHFFFAOYSA-N -1 3 391.427 3.617 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000546105653 929857049 /nfs/dbraw/zinc/85/70/49/929857049.db2.gz ZRXZGXQVTPUPIN-UHFFFAOYSA-N -1 3 392.297 3.551 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000759098416 930272766 /nfs/dbraw/zinc/27/27/66/930272766.db2.gz FDBYDAQRMAPCRG-ZBFHGGJFSA-N -1 3 376.497 3.720 20 0 GHADHM CCOc1cccc([C@@H](CC)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000759420497 930363227 /nfs/dbraw/zinc/36/32/27/930363227.db2.gz KUTTZHCXLCGREY-GOSISDBHSA-N -1 3 395.452 3.904 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)nc1Cl)c1cccc(Cl)c1 ZINC001256715116 930497980 /nfs/dbraw/zinc/49/79/80/930497980.db2.gz HDMORVRNZBYQDL-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1ccc(C(C)C)cc1OCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000781962390 931043928 /nfs/dbraw/zinc/04/39/28/931043928.db2.gz BPZSWYZVBDIEJB-UHFFFAOYSA-N -1 3 382.416 3.996 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccccc1Br ZINC000782006389 931057517 /nfs/dbraw/zinc/05/75/17/931057517.db2.gz KBCDVTBEVWDKIJ-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM O=C(CCC(=O)c1ccc(Cl)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782022456 931063441 /nfs/dbraw/zinc/06/34/41/931063441.db2.gz UETNRUNONKPUAW-UHFFFAOYSA-N -1 3 386.791 3.802 20 0 GHADHM CC(C)[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)NCc1ccco1 ZINC000924085129 931189519 /nfs/dbraw/zinc/18/95/19/931189519.db2.gz ZXLDEFPNXKBNMY-HNNXBMFYSA-N -1 3 391.374 3.591 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000782504850 931245176 /nfs/dbraw/zinc/24/51/76/931245176.db2.gz RMRBIFSLWSDBDG-MNOVXSKESA-N -1 3 394.946 3.516 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000782864635 931355155 /nfs/dbraw/zinc/35/51/55/931355155.db2.gz ZSTPYEOTWAYHHH-WWMYMODYSA-N -1 3 397.471 3.612 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(-c2cccc(F)c2)no1 ZINC000782943449 931370937 /nfs/dbraw/zinc/37/09/37/931370937.db2.gz YSYNVCRFQNNUFE-UHFFFAOYSA-N -1 3 381.319 3.593 20 0 GHADHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccc(OC)c(OC)c1 ZINC000557384166 931392346 /nfs/dbraw/zinc/39/23/46/931392346.db2.gz UTKYTDQLCKQQNL-UHFFFAOYSA-N -1 3 384.407 3.660 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783772718 931650712 /nfs/dbraw/zinc/65/07/12/931650712.db2.gz WAHSDQAXYVIIDF-LBPRGKRZSA-N -1 3 386.429 3.675 20 0 GHADHM CCc1ccc([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)s1 ZINC000697592887 931686990 /nfs/dbraw/zinc/68/69/90/931686990.db2.gz WWNHSCOWBLSYIN-LBPRGKRZSA-N -1 3 392.525 3.682 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccnc1C(F)(F)F ZINC000557832755 931711303 /nfs/dbraw/zinc/71/13/03/931711303.db2.gz CKMZLSGHTMNODY-AULYBMBSSA-N -1 3 390.814 3.978 20 0 GHADHM CO[C@@H]1Cc2ccc(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)cc2C1 ZINC000783930269 931720503 /nfs/dbraw/zinc/72/05/03/931720503.db2.gz RBNHGHIDFJLQKX-LJQANCHMSA-N -1 3 390.443 3.915 20 0 GHADHM COCCSCCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000784231479 931827120 /nfs/dbraw/zinc/82/71/20/931827120.db2.gz SDPMMZNYIRRRGD-UHFFFAOYSA-N -1 3 399.310 3.766 20 0 GHADHM Cc1cc(=O)[nH]c2cc(C(=O)NCc3ccc([O-])c(Br)c3)ccc12 ZINC000558418362 931991898 /nfs/dbraw/zinc/99/18/98/931991898.db2.gz RIVUCHVTLLFTSJ-UHFFFAOYSA-N -1 3 387.233 3.647 20 0 GHADHM Cc1ccc(NC(=O)C[C@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000558476608 932024453 /nfs/dbraw/zinc/02/44/53/932024453.db2.gz YLOKWLKMVZCPPM-ZIAGYGMSSA-N -1 3 376.453 3.920 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnc(C(C)(C)C)nc2)[nH][n-]1 ZINC000558492923 932033264 /nfs/dbraw/zinc/03/32/64/932033264.db2.gz KEAKCGUOWDHJCQ-UHFFFAOYSA-N -1 3 385.855 3.500 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)C(F)(F)[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000626294041 932279914 /nfs/dbraw/zinc/27/99/14/932279914.db2.gz ZXXJIPFRYQNYKV-RYUDHWBXSA-N -1 3 376.407 3.913 20 0 GHADHM O=C(CO[C@H]1CCCc2ccccc21)OCc1noc(-c2ccccc2[O-])n1 ZINC000797490811 932303951 /nfs/dbraw/zinc/30/39/51/932303951.db2.gz YBQWYEBGYQLULA-SFHVURJKSA-N -1 3 380.400 3.580 20 0 GHADHM Cc1occc1[C@H](Cc1ccccc1Cl)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000926813754 932316859 /nfs/dbraw/zinc/31/68/59/932316859.db2.gz QYQXBQFRDQFNRG-IBGZPJMESA-N -1 3 399.878 3.883 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 ZINC000797785516 932406814 /nfs/dbraw/zinc/40/68/14/932406814.db2.gz HKBMBBSYSNYGJD-ZKJMASMISA-N -1 3 386.373 3.852 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1cc(C)cc(C)c1 ZINC000559071459 932411407 /nfs/dbraw/zinc/41/14/07/932411407.db2.gz WPGZIBLYUYNDMP-KRWDZBQOSA-N -1 3 397.443 3.575 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(C)c1Cl ZINC000797841624 932427262 /nfs/dbraw/zinc/42/72/62/932427262.db2.gz WLRKYQOUOHTSLB-JOCQHMNTSA-N -1 3 399.921 3.721 20 0 GHADHM CCn1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c(C(F)(F)F)n1 ZINC000797874098 932439895 /nfs/dbraw/zinc/43/98/95/932439895.db2.gz FYIVKFODTHHWFB-UHFFFAOYSA-N -1 3 385.346 3.832 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)c(C)c1 ZINC000777621661 932546579 /nfs/dbraw/zinc/54/65/79/932546579.db2.gz RIVONPMURLXZPL-UHFFFAOYSA-N -1 3 376.547 3.911 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000777628674 932611589 /nfs/dbraw/zinc/61/15/89/932611589.db2.gz XFWGHLKOZKLSRB-QGZVFWFLSA-N -1 3 376.478 3.565 20 0 GHADHM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799022164 932854513 /nfs/dbraw/zinc/85/45/13/932854513.db2.gz CBYNUXWHLVDDEG-RMKNXTFCSA-N -1 3 396.453 3.914 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1ccc(Br)cc1OC ZINC000799091470 932874983 /nfs/dbraw/zinc/87/49/83/932874983.db2.gz LBJCWJSPXJFDNT-UHFFFAOYSA-N -1 3 394.265 3.647 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c(F)cc1F ZINC000559841243 932898312 /nfs/dbraw/zinc/89/83/12/932898312.db2.gz PZJYGXPIASTARB-QHCPKHFHSA-N -1 3 393.864 3.606 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 ZINC000799230845 932926460 /nfs/dbraw/zinc/92/64/60/932926460.db2.gz YECKJXOCAHBESE-UHFFFAOYSA-N -1 3 388.424 3.915 20 0 GHADHM CCCCOCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559987785 933001019 /nfs/dbraw/zinc/00/10/19/933001019.db2.gz RBWSZJFFLXMOIK-UHFFFAOYSA-N -1 3 378.230 3.601 20 0 GHADHM CC[C@@H]1CC[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000559989074 933002084 /nfs/dbraw/zinc/00/20/84/933002084.db2.gz HUALIRFSIVSPHX-NEPJUHHUSA-N -1 3 390.241 3.914 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nnn(-c2ccc3ncccc3c2)c1C ZINC000928786912 933105215 /nfs/dbraw/zinc/10/52/15/933105215.db2.gz HGZABHYVZSKHMZ-UHFFFAOYSA-N -1 3 376.420 3.796 20 0 GHADHM O=c1cc(CN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c2ccc([O-])cc2o1 ZINC000777714018 933129131 /nfs/dbraw/zinc/12/91/31/933129131.db2.gz YCSNPJROCBHUSS-GOSISDBHSA-N -1 3 388.427 3.621 20 0 GHADHM O=C(Nc1ccccc1SC1CCCC1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929584969 933525361 /nfs/dbraw/zinc/52/53/61/933525361.db2.gz DVOQXBHMIFUQAY-CQSZACIVSA-N -1 3 399.520 3.617 20 0 GHADHM CC(C)c1ncc(Br)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)n1 ZINC000930424290 934039137 /nfs/dbraw/zinc/03/91/37/934039137.db2.gz OHJXZILCZORVKH-UHFFFAOYSA-N -1 3 384.303 3.764 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)CCCC1 ZINC000562227574 934770801 /nfs/dbraw/zinc/77/08/01/934770801.db2.gz AUWAODLJVBYLRS-UHFFFAOYSA-N -1 3 381.828 3.753 20 0 GHADHM C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000778050119 934796022 /nfs/dbraw/zinc/79/60/22/934796022.db2.gz WXESXMOFTWFLRF-JTQLQIEISA-N -1 3 397.324 3.575 20 0 GHADHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001124523643 935404211 /nfs/dbraw/zinc/40/42/11/935404211.db2.gz QKJBXTBMDVNDPZ-UHFFFAOYSA-N -1 3 383.713 3.851 20 0 GHADHM CCCO[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1C ZINC000828210396 935593556 /nfs/dbraw/zinc/59/35/56/935593556.db2.gz RIFSJXUWCGATEL-IBGZPJMESA-N -1 3 387.455 3.681 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N2CCSC3(CCCCC3)C2)c1 ZINC001573279737 946648271 /nfs/dbraw/zinc/64/82/71/946648271.db2.gz MPCAEMXYJDCEAF-UHFFFAOYSA-N -1 3 394.342 3.885 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N2CCSC3(CCCCC3)C2)c1 ZINC001573279737 946648277 /nfs/dbraw/zinc/64/82/77/946648277.db2.gz MPCAEMXYJDCEAF-UHFFFAOYSA-N -1 3 394.342 3.885 20 0 GHADHM Brc1cccc(C2(CNc3ncccc3-c3nnn[n-]3)CCCC2)c1 ZINC001573280478 946661733 /nfs/dbraw/zinc/66/17/33/946661733.db2.gz WPCRFVIRTCWLCB-UHFFFAOYSA-N -1 3 399.296 3.948 20 0 GHADHM Brc1cccc(C2(CNc3ncccc3-c3nn[n-]n3)CCCC2)c1 ZINC001573280478 946661744 /nfs/dbraw/zinc/66/17/44/946661744.db2.gz WPCRFVIRTCWLCB-UHFFFAOYSA-N -1 3 399.296 3.948 20 0 GHADHM CC(=O)c1c(C)cc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001573552535 946877978 /nfs/dbraw/zinc/87/79/78/946877978.db2.gz QNBKUHCXVNUDEU-UHFFFAOYSA-N -1 3 377.448 3.602 20 0 GHADHM CC(=O)c1c(C)cc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001573552535 946877991 /nfs/dbraw/zinc/87/79/91/946877991.db2.gz QNBKUHCXVNUDEU-UHFFFAOYSA-N -1 3 377.448 3.602 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C(C)=Cc1ccc(Cl)cc1 ZINC001573552484 946878510 /nfs/dbraw/zinc/87/85/10/946878510.db2.gz PQNVRPBVWGTPOK-PKNBQFBNSA-N -1 3 381.823 3.765 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C(C)=Cc1ccc(Cl)cc1 ZINC001573552484 946878516 /nfs/dbraw/zinc/87/85/16/946878516.db2.gz PQNVRPBVWGTPOK-PKNBQFBNSA-N -1 3 381.823 3.765 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cccc(-c2ccccn2)c1C ZINC001573553038 946883214 /nfs/dbraw/zinc/88/32/14/946883214.db2.gz DATDKEMTLYNACD-UHFFFAOYSA-N -1 3 398.426 3.692 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cccc(-c2ccccn2)c1C ZINC001573553038 946883221 /nfs/dbraw/zinc/88/32/21/946883221.db2.gz DATDKEMTLYNACD-UHFFFAOYSA-N -1 3 398.426 3.692 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001573553414 946887990 /nfs/dbraw/zinc/88/79/90/946887990.db2.gz FVKGNIQBQOWIEM-UHFFFAOYSA-N -1 3 375.388 3.685 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001573553414 946888004 /nfs/dbraw/zinc/88/80/04/946888004.db2.gz FVKGNIQBQOWIEM-UHFFFAOYSA-N -1 3 375.388 3.685 20 0 GHADHM CC(=Cc1ccncc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC001573367093 947752071 /nfs/dbraw/zinc/75/20/71/947752071.db2.gz XDCMFEGLAUSXDJ-BUHFOSPRSA-N -1 3 399.458 3.711 20 0 GHADHM CC(=Cc1ccncc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC001573367093 947752081 /nfs/dbraw/zinc/75/20/81/947752081.db2.gz XDCMFEGLAUSXDJ-BUHFOSPRSA-N -1 3 399.458 3.711 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001573367278 947758413 /nfs/dbraw/zinc/75/84/13/947758413.db2.gz ZBJPCMSRHOUYIG-BENRWUELSA-N -1 3 378.411 3.622 20 0 GHADHM C[C@H](C(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC001573718386 948517150 /nfs/dbraw/zinc/51/71/50/948517150.db2.gz RFENIMXQUNJRBT-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM C[C@H](C(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC001573718386 948517160 /nfs/dbraw/zinc/51/71/60/948517160.db2.gz RFENIMXQUNJRBT-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Cc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC001574416733 948759722 /nfs/dbraw/zinc/75/97/22/948759722.db2.gz FSGPJEQAPUUFIF-FQEVSTJZSA-N -1 3 375.476 3.726 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Cc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC001574416733 948759732 /nfs/dbraw/zinc/75/97/32/948759732.db2.gz FSGPJEQAPUUFIF-FQEVSTJZSA-N -1 3 375.476 3.726 20 0 GHADHM CC(C)c1cccc(NC(=O)COc2c(Cl)cc(F)cc2-c2nnn[n-]2)c1 ZINC001574419672 948788314 /nfs/dbraw/zinc/78/83/14/948788314.db2.gz IRJPFNIIPNHCPD-UHFFFAOYSA-N -1 3 389.818 3.800 20 0 GHADHM CC(C)c1cccc(NC(=O)COc2c(Cl)cc(F)cc2-c2nn[n-]n2)c1 ZINC001574419672 948788322 /nfs/dbraw/zinc/78/83/22/948788322.db2.gz IRJPFNIIPNHCPD-UHFFFAOYSA-N -1 3 389.818 3.800 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1F ZINC001575503258 949042182 /nfs/dbraw/zinc/04/21/82/949042182.db2.gz NUVNHPORVLBIHD-UGSOOPFHSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1F ZINC001575503258 949042199 /nfs/dbraw/zinc/04/21/99/949042199.db2.gz NUVNHPORVLBIHD-UGSOOPFHSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](CCc1cccn1C)Nc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001574693369 949056940 /nfs/dbraw/zinc/05/69/40/949056940.db2.gz GSUKVXBUNHISJH-LBPRGKRZSA-N -1 3 381.871 3.840 20 0 GHADHM C[C@@H](CCc1cccn1C)Nc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001574693369 949056957 /nfs/dbraw/zinc/05/69/57/949056957.db2.gz GSUKVXBUNHISJH-LBPRGKRZSA-N -1 3 381.871 3.840 20 0 GHADHM CC(C)(C(=O)NCCCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781099 949100366 /nfs/dbraw/zinc/10/03/66/949100366.db2.gz CEGLZBDLNWQOIB-UHFFFAOYSA-N -1 3 383.883 3.547 20 0 GHADHM CC(C)(C(=O)NCCCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781099 949100383 /nfs/dbraw/zinc/10/03/83/949100383.db2.gz CEGLZBDLNWQOIB-UHFFFAOYSA-N -1 3 383.883 3.547 20 0 GHADHM CC(C)(C(=O)NCCc1cc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781607 949109034 /nfs/dbraw/zinc/10/90/34/949109034.db2.gz KGWAJEIVHVALRG-UHFFFAOYSA-N -1 3 391.500 3.718 20 0 GHADHM CC(C)(C(=O)NCCc1cc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781607 949109051 /nfs/dbraw/zinc/10/90/51/949109051.db2.gz KGWAJEIVHVALRG-UHFFFAOYSA-N -1 3 391.500 3.718 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccn1 ZINC001575515125 949180823 /nfs/dbraw/zinc/18/08/23/949180823.db2.gz GRIVLBVDFSQKPP-CQSZACIVSA-N -1 3 388.406 3.809 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccn1 ZINC001575515125 949180829 /nfs/dbraw/zinc/18/08/29/949180829.db2.gz GRIVLBVDFSQKPP-CQSZACIVSA-N -1 3 388.406 3.809 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC001574100250 949191807 /nfs/dbraw/zinc/19/18/07/949191807.db2.gz RZZGWDPYWRUSEN-AAEUAGOBSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC001574100250 949191816 /nfs/dbraw/zinc/19/18/16/949191816.db2.gz RZZGWDPYWRUSEN-AAEUAGOBSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1cccc(Cl)c1F ZINC001573788701 949208496 /nfs/dbraw/zinc/20/84/96/949208496.db2.gz TYAMIXBJKDMANB-UHFFFAOYSA-N -1 3 395.772 3.854 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1cccc(Cl)c1F ZINC001573788701 949208511 /nfs/dbraw/zinc/20/85/11/949208511.db2.gz TYAMIXBJKDMANB-UHFFFAOYSA-N -1 3 395.772 3.854 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC001573788808 949214620 /nfs/dbraw/zinc/21/46/20/949214620.db2.gz YOHIXTSPNNMCEH-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC001573788808 949214640 /nfs/dbraw/zinc/21/46/40/949214640.db2.gz YOHIXTSPNNMCEH-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC1=CC[C@@](C)(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CC1 ZINC001575866960 949423736 /nfs/dbraw/zinc/42/37/36/949423736.db2.gz WDWDSOHLPBHBJI-LJQANCHMSA-N -1 3 397.870 3.781 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1Cl)c1cccs1 ZINC001575285152 949936237 /nfs/dbraw/zinc/93/62/37/949936237.db2.gz ZHFYNKQBXSMUGY-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1Cl)c1cccs1 ZINC001575285152 949936265 /nfs/dbraw/zinc/93/62/65/949936265.db2.gz ZHFYNKQBXSMUGY-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccco1 ZINC001574519268 950674262 /nfs/dbraw/zinc/67/42/62/950674262.db2.gz DIIPIVDWGCUEAQ-LBPRGKRZSA-N -1 3 394.460 3.639 20 0 GHADHM C[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccco1 ZINC001574519268 950674267 /nfs/dbraw/zinc/67/42/67/950674267.db2.gz DIIPIVDWGCUEAQ-LBPRGKRZSA-N -1 3 394.460 3.639 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccn(C)c4c3)c2-c2nnn[n-]2)C1 ZINC001576216406 950734098 /nfs/dbraw/zinc/73/40/98/950734098.db2.gz JAIPRWYFCXCRMP-LLVKDONJSA-N -1 3 392.488 3.797 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccn(C)c4c3)c2-c2nn[n-]n2)C1 ZINC001576216406 950734114 /nfs/dbraw/zinc/73/41/14/950734114.db2.gz JAIPRWYFCXCRMP-LLVKDONJSA-N -1 3 392.488 3.797 20 0 GHADHM CC(C)(C)c1c[nH]c(SCc2cc(-c3nnn[n-]3)ccc2Br)n1 ZINC001573879913 950736574 /nfs/dbraw/zinc/73/65/74/950736574.db2.gz ONPWSQPUFZNMSX-UHFFFAOYSA-N -1 3 393.314 3.942 20 0 GHADHM CC(C)(C)c1c[nH]c(SCc2cc(-c3nn[n-]n3)ccc2Br)n1 ZINC001573879913 950736590 /nfs/dbraw/zinc/73/65/90/950736590.db2.gz ONPWSQPUFZNMSX-UHFFFAOYSA-N -1 3 393.314 3.942 20 0 GHADHM C[C@H]1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC001576216585 950738611 /nfs/dbraw/zinc/73/86/11/950738611.db2.gz DSWLIGSWHAIOMZ-JXFKEZNVSA-N -1 3 389.503 3.797 20 0 GHADHM C[C@H]1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC001576216585 950738624 /nfs/dbraw/zinc/73/86/24/950738624.db2.gz DSWLIGSWHAIOMZ-JXFKEZNVSA-N -1 3 389.503 3.797 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576217920 950772396 /nfs/dbraw/zinc/77/23/96/950772396.db2.gz PKUBSVNFYPMCSH-BMLIUANNSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001576217920 950772410 /nfs/dbraw/zinc/77/24/10/950772410.db2.gz PKUBSVNFYPMCSH-BMLIUANNSA-N -1 3 384.390 3.590 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCCCS2)c1-c1nnn[n-]1 ZINC001573885082 950813062 /nfs/dbraw/zinc/81/30/62/950813062.db2.gz RKNFKWOUYJBMRG-SNVBAGLBSA-N -1 3 380.543 3.633 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCCCS2)c1-c1nn[n-]n1 ZINC001573885082 950813083 /nfs/dbraw/zinc/81/30/83/950813083.db2.gz RKNFKWOUYJBMRG-SNVBAGLBSA-N -1 3 380.543 3.633 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCCCC(F)(F)F)c1-c1nnn[n-]1 ZINC001573885162 950816382 /nfs/dbraw/zinc/81/63/82/950816382.db2.gz UWPFNTOMKVYQGQ-UHFFFAOYSA-N -1 3 376.408 3.690 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCCCC(F)(F)F)c1-c1nn[n-]n1 ZINC001573885162 950816400 /nfs/dbraw/zinc/81/64/00/950816400.db2.gz UWPFNTOMKVYQGQ-UHFFFAOYSA-N -1 3 376.408 3.690 20 0 GHADHM C[C@H](CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC001575028045 951168357 /nfs/dbraw/zinc/16/83/57/951168357.db2.gz SVWLCEWYVLNSDS-OAHLLOKOSA-N -1 3 393.491 3.858 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001575187414 952441180 /nfs/dbraw/zinc/44/11/80/952441180.db2.gz CKIVZQHNQVJELQ-HJPURHCSSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001575187414 952441187 /nfs/dbraw/zinc/44/11/87/952441187.db2.gz CKIVZQHNQVJELQ-HJPURHCSSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCCc2cc(F)ccc21 ZINC001575187532 952442533 /nfs/dbraw/zinc/44/25/33/952442533.db2.gz CXKPAOYJNHPFDO-DJJJIMSYSA-N -1 3 380.423 3.805 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCCc2cc(F)ccc21 ZINC001575187532 952442537 /nfs/dbraw/zinc/44/25/37/952442537.db2.gz CXKPAOYJNHPFDO-DJJJIMSYSA-N -1 3 380.423 3.805 20 0 GHADHM CO[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001593940447 956269297 /nfs/dbraw/zinc/26/92/97/956269297.db2.gz MRHFEQODFQQTHE-YJBOKZPZSA-N -1 3 392.883 3.711 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588748546 961200916 /nfs/dbraw/zinc/20/09/16/961200916.db2.gz UEWGCHUNVCSQSS-DWVUQKNYSA-N -1 3 397.519 3.672 20 0 GHADHM COC(=O)c1csc(-c2cccc(CNCc3ccc(C(=O)[O-])s3)c2)n1 ZINC001574096753 962370892 /nfs/dbraw/zinc/37/08/92/962370892.db2.gz DNVCPNUUEUJAAW-UHFFFAOYSA-N -1 3 388.470 3.646 20 0 GHADHM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001349876010 962486383 /nfs/dbraw/zinc/48/63/83/962486383.db2.gz VYQXXPCCERDERP-GAJHUEQPSA-N -1 3 398.478 3.555 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@@H](C)C(=O)[O-] ZINC000841803677 969225019 /nfs/dbraw/zinc/22/50/19/969225019.db2.gz XGOFHDGJOZZJMF-SECBINFHSA-N -1 3 375.778 3.663 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398001901 973049948 /nfs/dbraw/zinc/04/99/48/973049948.db2.gz WSCFVJTYBNFMBC-UGSOOPFHSA-N -1 3 387.867 3.823 20 0 GHADHM C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000404281200 973716612 /nfs/dbraw/zinc/71/66/12/973716612.db2.gz FBFCNUIFQHSQTJ-RWMBFGLXSA-N -1 3 379.913 3.982 20 0 GHADHM O=C([O-])c1cccc(CNCc2ccc(OCCn3ccnc3)c(Cl)c2)c1 ZINC001606513576 974008132 /nfs/dbraw/zinc/00/81/32/974008132.db2.gz UECSJIXHSDUSGP-UHFFFAOYSA-N -1 3 385.851 3.604 20 0 GHADHM CCOC(=O)[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)Cc1ccccc1 ZINC001625797775 1014177354 /nfs/dbraw/zinc/17/73/54/1014177354.db2.gz LRPYUADADQWHDO-MRXNPFEDSA-N -1 3 383.469 3.759 20 0 GHADHM CC(C)Oc1cc(Cl)c(CN[C@@](C)(Cn2cccn2)C(=O)[O-])cc1Cl ZINC001591755549 975820756 /nfs/dbraw/zinc/82/07/56/975820756.db2.gz LSLKUJOMBLHNIH-KRWDZBQOSA-N -1 3 386.279 3.610 20 0 GHADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001591767847 975884902 /nfs/dbraw/zinc/88/49/02/975884902.db2.gz SPINWTAWBXBLLZ-SFHVURJKSA-N -1 3 397.475 3.568 20 0 GHADHM C[C@@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1cccc(Br)c1 ZINC001592709053 979190417 /nfs/dbraw/zinc/19/04/17/979190417.db2.gz FNEPYKYUSAUHCT-NSHDSACASA-N -1 3 382.229 3.844 20 0 GHADHM C[C@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001593025780 980284029 /nfs/dbraw/zinc/28/40/29/980284029.db2.gz JQAAPCYCHCKIDI-OXJNMPFZSA-N -1 3 382.504 3.840 20 0 GHADHM CC[C@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001595364478 980794656 /nfs/dbraw/zinc/79/46/56/980794656.db2.gz SNIDDHWUDXRMQI-OAQYLSRUSA-N -1 3 381.520 3.792 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)ccc2NC1=O ZINC001595500389 981272109 /nfs/dbraw/zinc/27/21/09/981272109.db2.gz ZAJUVFFQZMDRKE-VOZBZGINSA-N -1 3 388.851 3.926 20 0 GHADHM CCC[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC001595624226 981729702 /nfs/dbraw/zinc/72/97/02/981729702.db2.gz PTZQNBMDUGXUMI-AWEZNQCLSA-N -1 3 379.913 3.986 20 0 GHADHM CCCCC[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC001595683680 982173873 /nfs/dbraw/zinc/17/38/73/982173873.db2.gz XCWKMCSJKBTBFM-CYBMUJFWSA-N -1 3 379.213 3.553 20 0 GHADHM COc1ccccc1N1CC[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000471949006 1014828845 /nfs/dbraw/zinc/82/88/45/1014828845.db2.gz PXYMZIRGNBYLEL-INIZCTEOSA-N -1 3 376.456 3.810 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001595846262 982771860 /nfs/dbraw/zinc/77/18/60/982771860.db2.gz OZUJPMGQTVSJFE-MOPGFXCFSA-N -1 3 388.508 3.773 20 0 GHADHM CCCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001595891633 982927207 /nfs/dbraw/zinc/92/72/07/982927207.db2.gz XLWCUHRRTILRMM-OAHLLOKOSA-N -1 3 394.475 3.890 20 0 GHADHM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001596164209 983526383 /nfs/dbraw/zinc/52/63/83/983526383.db2.gz HHPDHGPASAYOMT-QRWLVFNGSA-N -1 3 384.451 3.822 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccsc1 ZINC001596254271 983661492 /nfs/dbraw/zinc/66/14/92/983661492.db2.gz GYWQUNRCUSRLBZ-INIZCTEOSA-N -1 3 397.447 3.929 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599891140 984695190 /nfs/dbraw/zinc/69/51/90/984695190.db2.gz IYNDBKMWWUOJRK-CQSZACIVSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1c(CNC2(C(=O)[O-])CCCCCC2)occ1C(F)(F)F ZINC001596695128 984829064 /nfs/dbraw/zinc/82/90/64/984829064.db2.gz WUZIDZPRXZVMEG-UHFFFAOYSA-N -1 3 377.359 3.742 20 0 GHADHM C/C(=C\c1ccccc1OC(F)F)CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001589003979 984959988 /nfs/dbraw/zinc/95/99/88/984959988.db2.gz SLXHHEBWRDPSAB-FYWRMAATSA-N -1 3 395.446 3.773 20 0 GHADHM CCOc1cc(CN(C)C[C@H]2CCCO2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032350 986454929 /nfs/dbraw/zinc/45/49/29/986454929.db2.gz DRSOXMVVZVDQIB-MRXNPFEDSA-N -1 3 389.448 3.566 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589445615 986814275 /nfs/dbraw/zinc/81/42/75/986814275.db2.gz TWYFHAVJGYBWCH-QQMNAOGKSA-N -1 3 394.471 3.993 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC001589611940 987470235 /nfs/dbraw/zinc/47/02/35/987470235.db2.gz JLRSPZHWNZELOD-LRDDRELGSA-N -1 3 399.318 3.922 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001589711695 987840050 /nfs/dbraw/zinc/84/00/50/987840050.db2.gz FHTOGRAGPIAJDD-GOSISDBHSA-N -1 3 385.439 3.984 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589711757 987841194 /nfs/dbraw/zinc/84/11/94/987841194.db2.gz HLYICDRFQGBZPE-GOSISDBHSA-N -1 3 388.439 3.546 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C)CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001589854935 988394326 /nfs/dbraw/zinc/39/43/26/988394326.db2.gz KTUNWSRCEQOQOK-KDOFPFPSSA-N -1 3 387.398 3.885 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccc2c(c1)CCO2 ZINC001599841357 988840412 /nfs/dbraw/zinc/84/04/12/988840412.db2.gz AVUDUWCCAHOOQG-LLVKDONJSA-N -1 3 376.250 3.933 20 0 GHADHM C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(-n2cccn2)c(F)c1 ZINC001599841546 988843913 /nfs/dbraw/zinc/84/39/13/988843913.db2.gz QSKPDVLFCZTULK-CQSZACIVSA-N -1 3 382.439 3.698 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(CNCc3ccc(C(=O)[O-])cc3)cccc2C1 ZINC001590082139 989180705 /nfs/dbraw/zinc/18/07/05/989180705.db2.gz BBQCOOLWSFTNDL-UHFFFAOYSA-N -1 3 396.487 3.968 20 0 GHADHM CCc1oc(CN[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1C(=O)[O-] ZINC001597802570 989402856 /nfs/dbraw/zinc/40/28/56/989402856.db2.gz RVSXHKIEMIBNQI-GFCCVEGCSA-N -1 3 380.391 3.510 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2Cc1ccsc1C(=O)[O-] ZINC001590167960 989486171 /nfs/dbraw/zinc/48/61/71/989486171.db2.gz DOYGGNRCKNVKFJ-IFXJQAMLSA-N -1 3 380.510 3.716 20 0 GHADHM CCc1cc(=O)[n-]c(CN(C[C@H](O)COc2cccc3ccccc32)C(C)C)n1 ZINC000468265827 1015526485 /nfs/dbraw/zinc/52/64/85/1015526485.db2.gz HITACIHMBPKNPX-IBGZPJMESA-N -1 3 395.503 3.548 20 0 GHADHM CN(C(=O)[C@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1)c1ccccc1 ZINC001598004967 990154754 /nfs/dbraw/zinc/15/47/54/990154754.db2.gz ZRYXPVKDVTYIRQ-SCLBCKFNSA-N -1 3 390.842 3.590 20 0 GHADHM COc1cccc2c(CN[C@H]3CCc4cc(C(=O)[O-])ccc4NC3=O)cccc12 ZINC001599689968 991052714 /nfs/dbraw/zinc/05/27/14/991052714.db2.gz XODZQMZMCQTYAZ-FQEVSTJZSA-N -1 3 390.439 3.590 20 0 GHADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1Cc1oncc1C(=O)[O-] ZINC001591211128 992052214 /nfs/dbraw/zinc/05/22/14/992052214.db2.gz RGDWUQJSCJEFTI-IBGZPJMESA-N -1 3 385.508 3.538 20 0 GHADHM CN(CCN1CCCc2ccccc21)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598488049 992235976 /nfs/dbraw/zinc/23/59/76/992235976.db2.gz GSZCQGXUXDMPQQ-IBGZPJMESA-N -1 3 378.394 3.614 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001598503280 992464635 /nfs/dbraw/zinc/46/46/35/992464635.db2.gz ITHWQDDDMMFYQX-LJQANCHMSA-N -1 3 384.520 3.535 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598503681 992471343 /nfs/dbraw/zinc/47/13/43/992471343.db2.gz VAFIFBSEPCSISQ-OAQYLSRUSA-N -1 3 394.515 3.831 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001591483389 992603107 /nfs/dbraw/zinc/60/31/07/992603107.db2.gz CPFXTTMRAUWBKL-GDCKJWNLSA-N -1 3 384.476 3.609 20 0 GHADHM COc1ccc(SCCN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001599619211 994057862 /nfs/dbraw/zinc/05/78/62/994057862.db2.gz ITDFIYYZMSDEPJ-INIZCTEOSA-N -1 3 386.517 3.696 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cccc(C(=O)NCC(C)C)c2)c1 ZINC001599657028 994597061 /nfs/dbraw/zinc/59/70/61/994597061.db2.gz ZQFCMLXUTFPQMH-HSZRJFAPSA-N -1 3 398.503 3.561 20 0 GHADHM C[C@]([NH2+]Cc1ccc([O-])c(F)c1F)(C(=O)[O-])c1cccc(Br)c1 ZINC001593299902 994727702 /nfs/dbraw/zinc/72/77/02/994727702.db2.gz XXFIUDAWVHIRRI-MRXNPFEDSA-N -1 3 386.192 3.523 20 0 GHADHM C[C@H](Oc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1)C(=O)[O-] ZINC001593614717 995825776 /nfs/dbraw/zinc/82/57/76/995825776.db2.gz DBQQMIJALYYISO-LAUBAEHRSA-N -1 3 395.455 3.867 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001593698434 996164689 /nfs/dbraw/zinc/16/46/89/996164689.db2.gz KHTJCSNQJXFGFR-DYVFJYSZSA-N -1 3 397.393 3.836 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001593709951 996207035 /nfs/dbraw/zinc/20/70/35/996207035.db2.gz GMJXNLDIXYOBQE-FCRQHZQGSA-N -1 3 393.487 3.832 20 0 GHADHM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1 ZINC001593874155 996688257 /nfs/dbraw/zinc/68/82/57/996688257.db2.gz MIIKFRGXCKGJDE-UHFFFAOYSA-N -1 3 386.536 3.657 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1 ZINC000468836173 1016088856 /nfs/dbraw/zinc/08/88/56/1016088856.db2.gz DUFLCXICHOFNBT-UHFFFAOYSA-N -1 3 387.461 3.500 20 0 GHADHM COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001599516025 997388259 /nfs/dbraw/zinc/38/82/59/997388259.db2.gz JPAOLDUPZSHVDG-HXUWFJFHSA-N -1 3 382.435 3.945 20 0 GHADHM COc1cc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C ZINC001599415567 997501780 /nfs/dbraw/zinc/50/17/80/997501780.db2.gz CWEQDHUANHBYAL-SFHVURJKSA-N -1 3 378.266 3.856 20 0 GHADHM COc1ccc([C@H](O)C2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)cc1 ZINC001599532344 997678800 /nfs/dbraw/zinc/67/88/00/997678800.db2.gz QGUNOJFTFSFROG-UXHICEINSA-N -1 3 389.879 3.920 20 0 GHADHM COCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001599237503 997972125 /nfs/dbraw/zinc/97/21/25/997972125.db2.gz DALDFGWDNRIRQQ-UHFFFAOYSA-N -1 3 378.266 3.796 20 0 GHADHM COc1ccc(CCCN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1OC ZINC001599554994 998074889 /nfs/dbraw/zinc/07/48/89/998074889.db2.gz XWTSJHBEUKAGLF-GOSISDBHSA-N -1 3 381.831 3.844 20 0 GHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(c3nc(-c4ccncc4)cs3)CC2)O1 ZINC001594103122 998124999 /nfs/dbraw/zinc/12/49/99/998124999.db2.gz MRDRWDPWDSIJER-INIZCTEOSA-N -1 3 385.489 3.532 20 0 GHADHM COCCOCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001599252411 998255627 /nfs/dbraw/zinc/25/56/27/998255627.db2.gz DBMSXNFQLNYMSH-GOSISDBHSA-N -1 3 397.393 3.784 20 0 GHADHM COc1ccc(Cl)cc1N1CC[C@@H](N[C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001599578244 998483143 /nfs/dbraw/zinc/48/31/43/998483143.db2.gz SNJYPEPRQUELIK-ACJLOTCBSA-N -1 3 395.286 3.996 20 0 GHADHM COc1cc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000468948366 1016259400 /nfs/dbraw/zinc/25/94/00/1016259400.db2.gz KLVDHFSPYXTFOR-CYBMUJFWSA-N -1 3 391.439 3.757 20 0 GHADHM C[C@@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C1CC1 ZINC001594442556 999629802 /nfs/dbraw/zinc/62/98/02/999629802.db2.gz USKIKGCOXNSMNT-NEPJUHHUSA-N -1 3 376.522 3.773 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3CCC4(CC3)OCCc3ccccc34)c2c1 ZINC001154530654 1032166815 /nfs/dbraw/zinc/16/68/15/1032166815.db2.gz RPDLGBGWPNDAON-UHFFFAOYSA-N -1 3 388.467 3.953 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001154797662 1032288843 /nfs/dbraw/zinc/28/88/43/1032288843.db2.gz YHKQSICCFGBTBN-UHFFFAOYSA-N -1 3 387.439 3.529 20 0 GHADHM CC(C)N1CC[C@@H](Oc2cc([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c23)C1 ZINC001227815867 1032622494 /nfs/dbraw/zinc/62/24/94/1032622494.db2.gz JXLQHRRSXUONLI-QGZVFWFLSA-N -1 3 381.428 3.733 20 0 GHADHM COC(=O)c1cc(F)c([N-]C(=O)c2nc3cc(OC)ccc3s2)c(C)c1F ZINC001155714430 1032657158 /nfs/dbraw/zinc/65/71/58/1032657158.db2.gz NSOBKTNYNLMYJA-UHFFFAOYSA-N -1 3 392.383 3.930 20 0 GHADHM CN(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000558780439 1017284401 /nfs/dbraw/zinc/28/44/01/1017284401.db2.gz WVUCTBKXMWYOSW-OAHLLOKOSA-N -1 3 391.295 3.714 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(Br)cc2cccnc21 ZINC000559687138 1017484623 /nfs/dbraw/zinc/48/46/23/1017484623.db2.gz XLSIBWPZGJJVLR-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM CC(C)(C)OC(=O)NCC1(CC(=O)[N-]OCCC(F)(F)F)CCCCC1 ZINC000777978986 1017950397 /nfs/dbraw/zinc/95/03/97/1017950397.db2.gz NFTWQFZRKHFHTM-UHFFFAOYSA-N -1 3 382.423 3.852 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CF)cc1 ZINC000931619230 1018012528 /nfs/dbraw/zinc/01/25/28/1018012528.db2.gz BYDOJJLWVOKFET-AWEZNQCLSA-N -1 3 379.457 3.584 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C=CCC2)cc1 ZINC000931625371 1018013171 /nfs/dbraw/zinc/01/31/71/1018013171.db2.gz HIOXGXYRWZPXKP-MRXNPFEDSA-N -1 3 385.489 3.944 20 0 GHADHM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000562219174 1018076503 /nfs/dbraw/zinc/07/65/03/1018076503.db2.gz JGXWQBVRIVJGFX-NDXORKPFSA-N -1 3 394.471 3.561 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1ccccc1 ZINC001228078711 1032768001 /nfs/dbraw/zinc/76/80/01/1032768001.db2.gz LANVXPIYDBDQED-IBGZPJMESA-N -1 3 399.443 3.666 20 0 GHADHM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562733433 1018583461 /nfs/dbraw/zinc/58/34/61/1018583461.db2.gz AKLXVEOMYYLDNL-JSGCOSHPSA-N -1 3 389.293 3.847 20 0 GHADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c3ccccc3)cn21 ZINC000562781817 1018636675 /nfs/dbraw/zinc/63/66/75/1018636675.db2.gz WWOUSSQAMBMRDS-TZMCWYRMSA-N -1 3 387.427 3.752 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)sc1Cl ZINC000572923567 1019815755 /nfs/dbraw/zinc/81/57/55/1019815755.db2.gz CGPLXTCNNVNKCU-CQSZACIVSA-N -1 3 377.940 3.538 20 0 GHADHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000574354613 1019868118 /nfs/dbraw/zinc/86/81/18/1019868118.db2.gz ZKZXYYIBQBCXSW-PSLIRLAXSA-N -1 3 375.343 3.645 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c(F)c1 ZINC000575945310 1019960144 /nfs/dbraw/zinc/96/01/44/1019960144.db2.gz WZZBDGQUCGOANE-UHFFFAOYSA-N -1 3 395.452 3.838 20 0 GHADHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000600769646 1020243597 /nfs/dbraw/zinc/24/35/97/1020243597.db2.gz ALEZNHSAOKVJGJ-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159802890 1020362275 /nfs/dbraw/zinc/36/22/75/1020362275.db2.gz RLYUJWWKDZHOBD-HOCLYGCPSA-N -1 3 394.487 3.821 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000779128526 1020394273 /nfs/dbraw/zinc/39/42/73/1020394273.db2.gz WQCXKJBKODDOJH-UHFFFAOYSA-N -1 3 394.431 3.612 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c(Cl)c1 ZINC000579275199 1020399782 /nfs/dbraw/zinc/39/97/82/1020399782.db2.gz ZZIHBBIDFWFXCR-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000628098008 1020660837 /nfs/dbraw/zinc/66/08/37/1020660837.db2.gz BRABPHFZDMTMPG-HNNXBMFYSA-N -1 3 376.250 3.677 20 0 GHADHM COc1cc(OC)c2c(c1)N(C(=O)c1cc([O-])cc(Br)c1)CCC2 ZINC000628704694 1020721693 /nfs/dbraw/zinc/72/16/93/1020721693.db2.gz NPXXSUQNZLGGEU-UHFFFAOYSA-N -1 3 392.249 3.765 20 0 GHADHM CCc1ccc(C2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1 ZINC000629478760 1020753615 /nfs/dbraw/zinc/75/36/15/1020753615.db2.gz NREFMRYJTFXZFW-UHFFFAOYSA-N -1 3 377.444 3.544 20 0 GHADHM COC[C@@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCc2ccccc21 ZINC000629751706 1020763988 /nfs/dbraw/zinc/76/39/88/1020763988.db2.gz PQLXBOOSCNBSBI-VFNWGFHPSA-N -1 3 376.456 3.693 20 0 GHADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3nc(C(C)C)c[n-]3)co2)cc1 ZINC000630432164 1020821030 /nfs/dbraw/zinc/82/10/30/1020821030.db2.gz HWNPNFRSQPFLCA-UHFFFAOYSA-N -1 3 375.450 3.561 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(-c3nc(C)cc(=O)[n-]3)cc1)CCC2 ZINC000653590979 1021248776 /nfs/dbraw/zinc/24/87/76/1021248776.db2.gz JDEYUJHVEMCCIF-LJQANCHMSA-N -1 3 389.455 3.813 20 0 GHADHM COc1cc(CN2CCSC[C@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000901892891 1021458126 /nfs/dbraw/zinc/45/81/26/1021458126.db2.gz YTKPZCOZCYCTQT-GOSISDBHSA-N -1 3 387.501 3.524 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000903895785 1021648969 /nfs/dbraw/zinc/64/89/69/1021648969.db2.gz LCGUKZKMVYBEBO-WMZOPIPTSA-N -1 3 389.492 3.570 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@H]1CCCC1=O ZINC000748174499 1021671274 /nfs/dbraw/zinc/67/12/74/1021671274.db2.gz RUWFZQMCHWLJMW-YLJYHZDGSA-N -1 3 395.455 3.556 20 0 GHADHM Cc1[nH]c(CN(C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001140496348 1021865063 /nfs/dbraw/zinc/86/50/63/1021865063.db2.gz BSZJMPCRSFOJCI-GOEBONIOSA-N -1 3 379.501 3.597 20 0 GHADHM C[C@H]1CCN(Cc2cccc([O-])c2Br)CCN1C(=O)OC(C)(C)C ZINC001140547267 1021948567 /nfs/dbraw/zinc/94/85/67/1021948567.db2.gz FFTPGCQHYURZPX-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM CC(C)N(CCNC(=O)OC(C)(C)C)Cc1cccc([O-])c1Br ZINC001140551104 1021953172 /nfs/dbraw/zinc/95/31/72/1021953172.db2.gz UJZGFKLGKOCHSE-UHFFFAOYSA-N -1 3 387.318 3.890 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cccc([O-])c1Br ZINC001140555299 1021958568 /nfs/dbraw/zinc/95/85/68/1021958568.db2.gz BXEOUYAHWCSFRD-YPMHNXCESA-N -1 3 385.302 3.642 20 0 GHADHM COc1cccc(OC2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC001140555441 1021958863 /nfs/dbraw/zinc/95/88/63/1021958863.db2.gz ILQJPVATFDDKGS-UHFFFAOYSA-N -1 3 393.281 3.602 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001228630814 1033021434 /nfs/dbraw/zinc/02/14/34/1033021434.db2.gz UZWCZNBJNYGEIS-KBPBESRZSA-N -1 3 389.448 3.974 20 0 GHADHM O=C(NC1(c2ncc(Br)cn2)CCC1)c1cc([O-])c2ccccc2c1 ZINC001156426992 1033027632 /nfs/dbraw/zinc/02/76/32/1033027632.db2.gz CCMWMSLLUZOBOP-UHFFFAOYSA-N -1 3 398.260 3.907 20 0 GHADHM O=C(c1ccco1)N1CCCC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140887693 1022802288 /nfs/dbraw/zinc/80/22/88/1022802288.db2.gz DPDZMDMYFHEAOP-UHFFFAOYSA-N -1 3 376.403 3.534 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc([O-])c(F)c3F)CC[C@@H]2C1 ZINC001140888047 1022802712 /nfs/dbraw/zinc/80/27/12/1022802712.db2.gz LSSYTQYPYMKLMO-OKILXGFUSA-N -1 3 382.451 3.749 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4ccc([O-])c(F)c4F)C3)CC2=O)s1 ZINC001140890275 1022809371 /nfs/dbraw/zinc/80/93/71/1022809371.db2.gz AQSQZJXTIUQMMC-LJQANCHMSA-N -1 3 378.444 3.669 20 0 GHADHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140891351 1022812938 /nfs/dbraw/zinc/81/29/38/1022812938.db2.gz XGVHWOVOWZGITE-OAHLLOKOSA-N -1 3 378.463 3.579 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000755180983 1023112511 /nfs/dbraw/zinc/11/25/11/1023112511.db2.gz TWHOPFJDGACPNX-HUTHGQBESA-N -1 3 397.258 3.509 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000755374747 1023220299 /nfs/dbraw/zinc/22/02/99/1023220299.db2.gz JJGWTMOSCRENFB-VXGBXAGGSA-N -1 3 390.402 3.803 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H]1n1cccn1 ZINC000837028807 1023581167 /nfs/dbraw/zinc/58/11/67/1023581167.db2.gz JAJDPEHYINPMBM-KYJSFNMBSA-N -1 3 385.489 3.731 20 0 GHADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1c(Cl)oc2ccccc21 ZINC000756341438 1023596806 /nfs/dbraw/zinc/59/68/06/1023596806.db2.gz XRUNOHPHDNOCEG-INIZCTEOSA-N -1 3 387.819 3.763 20 0 GHADHM COc1ccccc1/C=C\CN[C@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000756378287 1023619393 /nfs/dbraw/zinc/61/93/93/1023619393.db2.gz CYKVMANTUWXBLR-YHAGJJCESA-N -1 3 377.444 3.700 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)nc2)oc1-c1ccc(Cl)cc1 ZINC000756765106 1023806255 /nfs/dbraw/zinc/80/62/55/1023806255.db2.gz BCGMFXQBQXJVEX-UHFFFAOYSA-N -1 3 398.271 3.830 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1[O-] ZINC001141299012 1024448724 /nfs/dbraw/zinc/44/87/24/1024448724.db2.gz RICLLMNUBUWNKL-UHFFFAOYSA-N -1 3 388.423 3.777 20 0 GHADHM CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000837546420 1024541429 /nfs/dbraw/zinc/54/14/29/1024541429.db2.gz GWECKTFNJUWISO-UHFFFAOYSA-N -1 3 387.411 3.540 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@H]1CCCC1(C)C ZINC001141352611 1024667216 /nfs/dbraw/zinc/66/72/16/1024667216.db2.gz XVNMKPNMNNBURY-CQSZACIVSA-N -1 3 395.459 3.549 20 0 GHADHM Cc1ccc(-c2noc(CCCOC(=O)Cc3ccc([O-])c(F)c3)n2)cc1F ZINC000838142042 1024943016 /nfs/dbraw/zinc/94/30/16/1024943016.db2.gz JWWKNEUQDYNZPE-UHFFFAOYSA-N -1 3 388.370 3.747 20 0 GHADHM Cc1cc(C(=O)[C@H](C)OC(=O)Cc2ccc([O-])c(F)c2)c(C)n1Cc1ccco1 ZINC000838142163 1024943741 /nfs/dbraw/zinc/94/37/41/1024943741.db2.gz WBWOEXOIXBHPEC-HNNXBMFYSA-N -1 3 399.418 3.948 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC[C@@](C)(O)c2ccccc2)s1 ZINC001138625989 1025124159 /nfs/dbraw/zinc/12/41/59/1025124159.db2.gz NTFIOAGCJUTFKF-LJQANCHMSA-N -1 3 391.493 3.518 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000838558435 1025207963 /nfs/dbraw/zinc/20/79/63/1025207963.db2.gz CYPNNVWVJXASAB-JQWIXIFHSA-N -1 3 387.793 3.612 20 0 GHADHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([O-])c1Br ZINC000838861413 1025401377 /nfs/dbraw/zinc/40/13/77/1025401377.db2.gz GHZGEEWVTHOLCQ-STQMWFEESA-N -1 3 399.329 3.890 20 0 GHADHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc([O-])c1Br ZINC000839106595 1025606550 /nfs/dbraw/zinc/60/65/50/1025606550.db2.gz JYSSWIBCFBOIGF-AAEUAGOBSA-N -1 3 385.302 3.642 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000839338235 1025818275 /nfs/dbraw/zinc/81/82/75/1025818275.db2.gz YSTNJZOEOHYYKN-UHFFFAOYSA-N -1 3 388.374 3.820 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1(C)C ZINC001162601019 1025821626 /nfs/dbraw/zinc/82/16/26/1025821626.db2.gz SHYVMBXHYLXTTI-DLBZAZTESA-N -1 3 394.487 3.662 20 0 GHADHM COc1ccc(OC(F)(F)F)c(C(=O)[N-]c2c(C)onc2OC(F)F)c1 ZINC000839343076 1025823709 /nfs/dbraw/zinc/82/37/09/1025823709.db2.gz QXIRLSPQADKDKH-UHFFFAOYSA-N -1 3 382.241 3.744 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)c1 ZINC001162712245 1025886846 /nfs/dbraw/zinc/88/68/46/1025886846.db2.gz HJXRDPSUWRGSGY-UHFFFAOYSA-N -1 3 375.787 3.690 20 0 GHADHM CN(CCc1ccccc1F)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139244320 1026094529 /nfs/dbraw/zinc/09/45/29/1026094529.db2.gz SMDXJXOOBVRRQH-UHFFFAOYSA-N -1 3 396.256 3.726 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1[O-] ZINC000839675594 1026190570 /nfs/dbraw/zinc/19/05/70/1026190570.db2.gz HDWMQQLVVVSCLB-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM O=C(Nc1ccc(Oc2cnccn2)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001141740510 1026394769 /nfs/dbraw/zinc/39/47/69/1026394769.db2.gz AWEYNWPXNPWBQE-UHFFFAOYSA-N -1 3 394.337 3.641 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccc(Br)s1 ZINC001164092562 1026409868 /nfs/dbraw/zinc/40/98/68/1026409868.db2.gz QANLTXNVRAWNBV-QMMMGPOBSA-N -1 3 380.271 3.872 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccc(Br)s1 ZINC001164092562 1026409873 /nfs/dbraw/zinc/40/98/73/1026409873.db2.gz QANLTXNVRAWNBV-QMMMGPOBSA-N -1 3 380.271 3.872 20 0 GHADHM CC(C)N(CC1CC1)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001166620208 1027041557 /nfs/dbraw/zinc/04/15/57/1027041557.db2.gz SMKWKCSXAPTMAW-UHFFFAOYSA-N -1 3 381.448 3.785 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC001166927026 1027156626 /nfs/dbraw/zinc/15/66/26/1027156626.db2.gz WBWHTYWIQOPVMZ-INIZCTEOSA-N -1 3 375.350 3.555 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)CCCc2ccccc2)s1 ZINC001209761462 1027159991 /nfs/dbraw/zinc/15/99/91/1027159991.db2.gz XNULPJYZJWLYDO-UHFFFAOYSA-N -1 3 395.546 3.862 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(F)c(OC)c1Cl)OCC ZINC001209801821 1027202703 /nfs/dbraw/zinc/20/27/03/1027202703.db2.gz VPKHVMKFFZQKIS-UHFFFAOYSA-N -1 3 385.823 3.669 20 0 GHADHM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2cnccc2c1)OCC ZINC001210046752 1027326450 /nfs/dbraw/zinc/32/64/50/1027326450.db2.gz QEEJLOFLWYUNCH-UHFFFAOYSA-N -1 3 386.477 3.704 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1ccc(Cl)cc1 ZINC001210152014 1027361734 /nfs/dbraw/zinc/36/17/34/1027361734.db2.gz SMDAWEYZHRFHIZ-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Oc1cccc(F)c1 ZINC001210250217 1027404582 /nfs/dbraw/zinc/40/45/82/1027404582.db2.gz YBOFVPZGSLVJKV-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CSc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000840502198 1027581134 /nfs/dbraw/zinc/58/11/34/1027581134.db2.gz UOVPTLWUWFDDFB-UHFFFAOYSA-N -1 3 394.493 3.549 20 0 GHADHM [O-]c1cccc(Nc2cnc(I)c(Cl)n2)c1Cl ZINC001210854885 1027681424 /nfs/dbraw/zinc/68/14/24/1027681424.db2.gz DQGPUEDUCUZVTD-UHFFFAOYSA-N -1 3 381.988 3.837 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccc(Br)c1F ZINC001211102395 1027788283 /nfs/dbraw/zinc/78/82/83/1027788283.db2.gz HCLRIVVSVJIQFB-XGWLTEMNSA-N -1 3 396.281 3.595 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)c(F)c1 ZINC001211363479 1027921402 /nfs/dbraw/zinc/92/14/02/1027921402.db2.gz LTZYZOQHTHVHCB-SFHVURJKSA-N -1 3 391.464 3.822 20 0 GHADHM C=COc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1 ZINC000840918464 1027955892 /nfs/dbraw/zinc/95/58/92/1027955892.db2.gz UGLRDCQHOQOKHE-CQSZACIVSA-N -1 3 393.436 3.564 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000840998734 1028031401 /nfs/dbraw/zinc/03/14/01/1028031401.db2.gz PRMDLWMRYJMEIG-GOSISDBHSA-N -1 3 382.291 3.843 20 0 GHADHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3c(Cl)cc([O-])cc3Cl)O2)n1 ZINC001142109525 1028129522 /nfs/dbraw/zinc/12/95/22/1028129522.db2.gz TXTSRSNHCNQFLA-BZUAXINKSA-N -1 3 384.263 3.885 20 0 GHADHM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142122307 1028188869 /nfs/dbraw/zinc/18/88/69/1028188869.db2.gz VTCHYAFZLWJQPA-ZWKOTPCHSA-N -1 3 396.270 3.814 20 0 GHADHM Cc1nc(C)c(CCC(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)c(=O)[n-]1 ZINC000841213639 1028289258 /nfs/dbraw/zinc/28/92/58/1028289258.db2.gz XLDUUSIZBMFVAN-HNNXBMFYSA-N -1 3 395.337 3.720 20 0 GHADHM CCOC(=O)[C@@H](CCCC(C)C)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC001213663965 1028316171 /nfs/dbraw/zinc/31/61/71/1028316171.db2.gz BAVMTVZNLIYQFB-GZKZCVOOSA-N -1 3 387.929 3.988 20 0 GHADHM COc1cc(-c2noc(-c3nc(C)ccc3[O-])n2)cc(Br)c1OC ZINC001213699795 1028339957 /nfs/dbraw/zinc/33/99/57/1028339957.db2.gz XCXFUVOWLOOHAG-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM O=C(NCc1cccc(Br)c1Cl)c1nnc2ccccc2c1[O-] ZINC001142292068 1028593683 /nfs/dbraw/zinc/59/36/83/1028593683.db2.gz NBMRETVRLKRWCB-UHFFFAOYSA-N -1 3 392.640 3.681 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2sc(Cl)nc2c1)c1ccc(C)o1 ZINC000841500555 1028701303 /nfs/dbraw/zinc/70/13/03/1028701303.db2.gz JZRVZNLQWGISFD-GFCCVEGCSA-N -1 3 386.882 3.517 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@H](CC(=O)[O-])C(F)F ZINC000841810189 1028958190 /nfs/dbraw/zinc/95/81/90/1028958190.db2.gz HQAUPNCQUCQPSA-AWEZNQCLSA-N -1 3 385.842 3.647 20 0 GHADHM Cc1nc(F)ccc1CN[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000841816064 1028964432 /nfs/dbraw/zinc/96/44/32/1028964432.db2.gz OMPZDJPGJHMRJW-HWPZZCPQSA-N -1 3 381.245 3.843 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)no2)c1[O-] ZINC001215143600 1029057279 /nfs/dbraw/zinc/05/72/79/1029057279.db2.gz FNIKBYHSUYCASJ-UHFFFAOYSA-N -1 3 378.388 3.621 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1c(C)cc(COC)cc1C)OCC ZINC001215528966 1029254576 /nfs/dbraw/zinc/25/45/76/1029254576.db2.gz KJFWMIIKQHVPJO-UHFFFAOYSA-N -1 3 375.469 3.631 20 0 GHADHM CCN1CCN(Cc2ccc(Nc3c(F)cc(C(=O)[O-])cc3F)cc2)CC1 ZINC001215613564 1029306163 /nfs/dbraw/zinc/30/61/63/1029306163.db2.gz RAMVFWZGTKVHFV-UHFFFAOYSA-N -1 3 375.419 3.544 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCC[C@H]3CC3(Cl)Cl)[n-]c(=O)c12 ZINC000842548513 1029379105 /nfs/dbraw/zinc/37/91/05/1029379105.db2.gz XRMUZWNZLZLSBC-QMMMGPOBSA-N -1 3 388.276 3.501 20 0 GHADHM C[C@@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001215999353 1029484621 /nfs/dbraw/zinc/48/46/21/1029484621.db2.gz BCIAAUINTWSDKS-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM COc1ncc(Nc2ccc(N3CCCCCC3)cc2)cc1[N-]S(C)(=O)=O ZINC001216155694 1029545931 /nfs/dbraw/zinc/54/59/31/1029545931.db2.gz QIOKIWOLZQMUIF-UHFFFAOYSA-N -1 3 390.509 3.586 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ncc([O-])cc1Br ZINC001142834483 1029551417 /nfs/dbraw/zinc/55/14/17/1029551417.db2.gz ZBSMREBUTPNPSI-UHFFFAOYSA-N -1 3 375.144 3.750 20 0 GHADHM COc1cc(Br)cc(-c2noc(-c3c([O-])cc(C)cc3O)n2)c1 ZINC001216267978 1029589488 /nfs/dbraw/zinc/58/94/88/1029589488.db2.gz YWXDVNIHRUEWGO-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM CC(C)(C)NC(=O)c1cc(Br)cc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001216485806 1029658990 /nfs/dbraw/zinc/65/89/90/1029658990.db2.gz LTRGTOTXKOIWAM-UHFFFAOYSA-N -1 3 397.298 3.505 20 0 GHADHM COc1cc(Cl)c(Cl)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001216696330 1029732427 /nfs/dbraw/zinc/73/24/27/1029732427.db2.gz YDNWBXWKTSCRSC-UHFFFAOYSA-N -1 3 393.234 3.750 20 0 GHADHM COc1cc(Cl)c(Cl)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001216696330 1029732432 /nfs/dbraw/zinc/73/24/32/1029732432.db2.gz YDNWBXWKTSCRSC-UHFFFAOYSA-N -1 3 393.234 3.750 20 0 GHADHM CN(CCC(C)(C)C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001143186184 1029890397 /nfs/dbraw/zinc/89/03/97/1029890397.db2.gz NEMIKHCXUVPARU-UHFFFAOYSA-N -1 3 395.352 3.556 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(OC3COC3)c(C(F)(F)F)c2)no1 ZINC001216737336 1029912770 /nfs/dbraw/zinc/91/27/70/1029912770.db2.gz ZPJWDQWADYUEOJ-UHFFFAOYSA-N -1 3 394.305 3.611 20 0 GHADHM COc1ccc(-c2nc(-c3ccc(Br)c(C)n3)no2)c([O-])c1OC ZINC001216765678 1029924747 /nfs/dbraw/zinc/92/47/47/1029924747.db2.gz VILXYDLPMYUZAH-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COc1ccc(-c2nc(-c3cc(OC)c(OC)cc3Cl)no2)c([O-])c1OC ZINC001216765843 1029925424 /nfs/dbraw/zinc/92/54/24/1029925424.db2.gz XTJREUSPLHGAPH-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM COc1ccc(-c2noc(-c3cc([O-])ccc3Br)n2)cc1OC ZINC001216846920 1029961486 /nfs/dbraw/zinc/96/14/86/1029961486.db2.gz GMXVPNORMVGWBH-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ncnc3c2cnn3-c2ccccc2)c1[O-] ZINC001149190260 1030083421 /nfs/dbraw/zinc/08/34/21/1030083421.db2.gz HHKKDYFJWWUSRH-UHFFFAOYSA-N -1 3 396.410 3.630 20 0 GHADHM CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001149352768 1030144032 /nfs/dbraw/zinc/14/40/32/1030144032.db2.gz HVYYDIVBYCMFIV-UHFFFAOYSA-N -1 3 375.472 3.931 20 0 GHADHM CN(C(=O)c1c([O-])cnc2c(F)cccc21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001149386040 1030157872 /nfs/dbraw/zinc/15/78/72/1030157872.db2.gz KOHQIBRDGKDXSJ-KRWDZBQOSA-N -1 3 393.462 3.816 20 0 GHADHM [O-]c1cc(O)c(-c2nc(-c3ccc(F)cc3)no2)cc1I ZINC001217115228 1030175406 /nfs/dbraw/zinc/17/54/06/1030175406.db2.gz AARUYOHJMMBYNR-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM COc1ccnc(-c2noc(-c3nc4cc(Br)ccc4[n-]3)n2)c1F ZINC001217322873 1030308975 /nfs/dbraw/zinc/30/89/75/1030308975.db2.gz CBCVBKHKMIJEOE-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM COc1ccnc(-c2noc(-c3nc4ccc(Br)cc4[n-]3)n2)c1F ZINC001217322873 1030308991 /nfs/dbraw/zinc/30/89/91/1030308991.db2.gz CBCVBKHKMIJEOE-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM Cc1ncsc1-c1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc1 ZINC001217354638 1030330935 /nfs/dbraw/zinc/33/09/35/1030330935.db2.gz IAKNHEOIMYQJFC-UHFFFAOYSA-N -1 3 388.408 3.970 20 0 GHADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001217417462 1030377848 /nfs/dbraw/zinc/37/78/48/1030377848.db2.gz OWIWFQBZFHTRSH-UHFFFAOYSA-N -1 3 376.368 3.746 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4ncccc4C)no3)c1[O-])CCCC2 ZINC001217447196 1030400347 /nfs/dbraw/zinc/40/03/47/1030400347.db2.gz LJOPRGNCUHAZSN-UHFFFAOYSA-N -1 3 379.416 3.868 20 0 GHADHM CCCOc1ccc(-c2noc(-c3[n-]nc4c3cccc4C(=O)OC)n2)cc1 ZINC001217471462 1030420519 /nfs/dbraw/zinc/42/05/19/1030420519.db2.gz SNMUKZHXDFYSPU-UHFFFAOYSA-N -1 3 378.388 3.855 20 0 GHADHM CCCOc1ccc(-c2noc(-c3n[n-]c4c3cccc4C(=O)OC)n2)cc1 ZINC001217471462 1030420521 /nfs/dbraw/zinc/42/05/21/1030420521.db2.gz SNMUKZHXDFYSPU-UHFFFAOYSA-N -1 3 378.388 3.855 20 0 GHADHM CC(=O)N1CCCc2cc(-c3noc(-c4ccc([O-])c5ncccc45)n3)ccc21 ZINC001217491453 1030437139 /nfs/dbraw/zinc/43/71/39/1030437139.db2.gz DGLAPMWNXDHOLE-UHFFFAOYSA-N -1 3 386.411 3.957 20 0 GHADHM Clc1ccc2[n-]c(-c3nc(-c4cccc(-c5ccccn5)n4)no3)nc2n1 ZINC001217552528 1030485804 /nfs/dbraw/zinc/48/58/04/1030485804.db2.gz KEESVACYWNUBEC-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccc2nc(-c3nc(-c4cccc(-c5ccccn5)n4)no3)nc-2[n-]1 ZINC001217552528 1030485807 /nfs/dbraw/zinc/48/58/07/1030485807.db2.gz KEESVACYWNUBEC-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccc2nc(-c3nc(-c4cccc(-c5ccccn5)n4)no3)[n-]c2n1 ZINC001217552528 1030485814 /nfs/dbraw/zinc/48/58/14/1030485814.db2.gz KEESVACYWNUBEC-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Cc1cc(-c2noc(-c3nc4nc(Cl)ccc4[n-]3)n2)ncc1Br ZINC001217552351 1030486259 /nfs/dbraw/zinc/48/62/59/1030486259.db2.gz FVBPKFJIFHOZRN-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1cc(-c2noc(-c3nc4ccc(Cl)[n-]c-4n3)n2)ncc1Br ZINC001217552351 1030486270 /nfs/dbraw/zinc/48/62/70/1030486270.db2.gz FVBPKFJIFHOZRN-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1cc(-c2noc(-c3nc4ccc(Cl)nc4[n-]3)n2)ncc1Br ZINC001217552351 1030486280 /nfs/dbraw/zinc/48/62/80/1030486280.db2.gz FVBPKFJIFHOZRN-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N1CC[C@H](c2cccnc2)C1 ZINC001150468178 1030535455 /nfs/dbraw/zinc/53/54/55/1030535455.db2.gz QYYIIELERYAPJM-ZDUSSCGKSA-N -1 3 387.361 3.572 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H]3COCc4ccccc43)nc21 ZINC001223401412 1030554762 /nfs/dbraw/zinc/55/47/62/1030554762.db2.gz ABNZJIAQEAGTBX-DNVCBOLYSA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H]3COCc4ccccc43)[n-]c21 ZINC001223401412 1030554767 /nfs/dbraw/zinc/55/47/67/1030554767.db2.gz ABNZJIAQEAGTBX-DNVCBOLYSA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(Cl)cc(OC)c2)no1 ZINC001217637183 1030560002 /nfs/dbraw/zinc/56/00/02/1030560002.db2.gz PPPPBFVFXJCGPW-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC001151584485 1030950099 /nfs/dbraw/zinc/95/00/99/1030950099.db2.gz WLMSAOXPICUGKR-IBGZPJMESA-N -1 3 379.416 3.896 20 0 GHADHM CC1(C)C[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)CC[NH2+]1 ZINC001218477004 1030953067 /nfs/dbraw/zinc/95/30/67/1030953067.db2.gz MSDSLIHRTCUJCA-OAHLLOKOSA-N -1 3 381.428 3.781 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC001151703410 1030976643 /nfs/dbraw/zinc/97/66/43/1030976643.db2.gz QXYOLFYLCUEGQZ-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC001151703410 1030976650 /nfs/dbraw/zinc/97/66/50/1030976650.db2.gz QXYOLFYLCUEGQZ-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM Cn1cc(-c2ccc(N)cc2)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001218833739 1031103277 /nfs/dbraw/zinc/10/32/77/1031103277.db2.gz JUETVOHOBFXQQQ-UHFFFAOYSA-N -1 3 386.249 3.995 20 0 GHADHM CCOc1nnc(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)[n-]1 ZINC001152342893 1031199560 /nfs/dbraw/zinc/19/95/60/1031199560.db2.gz PXYBEDJRMBKZET-UHFFFAOYSA-N -1 3 381.436 3.941 20 0 GHADHM CCOc1nc(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n[n-]1 ZINC001152342893 1031199568 /nfs/dbraw/zinc/19/95/68/1031199568.db2.gz PXYBEDJRMBKZET-UHFFFAOYSA-N -1 3 381.436 3.941 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n1 ZINC001152342893 1031199579 /nfs/dbraw/zinc/19/95/79/1031199579.db2.gz PXYBEDJRMBKZET-UHFFFAOYSA-N -1 3 381.436 3.941 20 0 GHADHM COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CC1=O ZINC001153460096 1031602875 /nfs/dbraw/zinc/60/28/75/1031602875.db2.gz AIDRMYLPSNDBOP-SNVBAGLBSA-N -1 3 395.242 3.699 20 0 GHADHM O=C(c1ccccn1)[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccn1 ZINC001225855054 1031654765 /nfs/dbraw/zinc/65/47/65/1031654765.db2.gz YCDYUQAVACMNMY-OAHLLOKOSA-N -1 3 392.362 3.577 20 0 GHADHM COCc1cc(O[C@@H](C(=O)OCc2ccccc2)c2ccccc2)[n-]c(=S)n1 ZINC001225934901 1031701805 /nfs/dbraw/zinc/70/18/05/1031701805.db2.gz NMMZCBOZRBWHRR-LJQANCHMSA-N -1 3 396.468 3.775 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)CCC1(F)F ZINC001153873965 1031784954 /nfs/dbraw/zinc/78/49/54/1031784954.db2.gz MBNIRYVOHMAFIW-SNVBAGLBSA-N -1 3 399.235 3.798 20 0 GHADHM CCc1ccc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c([O-])c1 ZINC001153891423 1031793312 /nfs/dbraw/zinc/79/33/12/1031793312.db2.gz CATZYPXQETWYGP-UHFFFAOYSA-N -1 3 388.265 3.603 20 0 GHADHM CC(C)(C)c1ccc(C(F)(F)C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001153975411 1031849968 /nfs/dbraw/zinc/84/99/68/1031849968.db2.gz GECQYJFYQCYIEH-UHFFFAOYSA-N -1 3 387.430 3.991 20 0 GHADHM Cc1cc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(C)cc1Br ZINC001153977090 1031852505 /nfs/dbraw/zinc/85/25/05/1031852505.db2.gz ZCAMLFORZQYKJR-UHFFFAOYSA-N -1 3 388.265 3.595 20 0 GHADHM COc1ccc(-c2ccccn2)nc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154023391 1031881078 /nfs/dbraw/zinc/88/10/78/1031881078.db2.gz URTIDKTUXBCWTN-UHFFFAOYSA-N -1 3 387.395 3.969 20 0 GHADHM CC(C)(C(=O)Nc1ccc(I)cc1[O-])[C@H]1CCCCO1 ZINC001154104468 1031928164 /nfs/dbraw/zinc/92/81/64/1031928164.db2.gz QDHURCBSGYQKBJ-CYBMUJFWSA-N -1 3 389.233 3.531 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCCc3c[nH]c4cccc(Cl)c34)[n-]c2c1 ZINC001154120722 1031936750 /nfs/dbraw/zinc/93/67/50/1031936750.db2.gz SDKIAIFIMMAWAU-UHFFFAOYSA-N -1 3 395.846 3.644 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC001154252080 1032006626 /nfs/dbraw/zinc/00/66/26/1032006626.db2.gz NYWQPGYVZJZAQM-MRXNPFEDSA-N -1 3 379.815 3.538 20 0 GHADHM O=c1nc2nc(Cl)ccc2c(O[C@H]2CC=C[C@@H]2COCc2ccccc2)[n-]1 ZINC001226556355 1032011261 /nfs/dbraw/zinc/01/12/61/1032011261.db2.gz LWDWNRFIHPPOHI-ZBFHGGJFSA-N -1 3 383.835 3.924 20 0 GHADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001226597218 1032032470 /nfs/dbraw/zinc/03/24/70/1032032470.db2.gz RJBDAWVANKHXHV-ZDUSSCGKSA-N -1 3 389.448 3.913 20 0 GHADHM C[C@H]1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CN1C(=O)OC(C)(C)C ZINC001226598498 1032033209 /nfs/dbraw/zinc/03/32/09/1032033209.db2.gz CRQZSNBCEYVXGZ-JSGCOSHPSA-N -1 3 375.421 3.665 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2cccc([O-])c2Br)C1 ZINC001229139964 1033302984 /nfs/dbraw/zinc/30/29/84/1033302984.db2.gz PNVUVXWTOSKFJO-ZDUSSCGKSA-N -1 3 384.270 3.933 20 0 GHADHM CCOC(=O)[C@@H](Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1)C1CC1 ZINC001229267096 1033380724 /nfs/dbraw/zinc/38/07/24/1033380724.db2.gz IAMUGIPKLNNOTA-NRFANRHFSA-N -1 3 380.396 3.886 20 0 GHADHM CCOCC(COCC)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267736 1033380765 /nfs/dbraw/zinc/38/07/65/1033380765.db2.gz RDVDJAACFXBUQB-UHFFFAOYSA-N -1 3 384.428 3.986 20 0 GHADHM COC(=O)[C@H](Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1)C(F)(F)F ZINC001229268738 1033381251 /nfs/dbraw/zinc/38/12/51/1033381251.db2.gz RXOCEPQXWUIKQE-KRWDZBQOSA-N -1 3 394.301 3.648 20 0 GHADHM O=C(NC(C1CCC1)C1CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001157137948 1033431482 /nfs/dbraw/zinc/43/14/82/1033431482.db2.gz VAPUUWOMJFSVEG-UHFFFAOYSA-N -1 3 389.293 3.989 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354566 1033434376 /nfs/dbraw/zinc/43/43/76/1033434376.db2.gz ZQWUGWAPELDUQL-RWMBFGLXSA-N -1 3 386.539 3.512 20 0 GHADHM CCOC(=O)[C@@H](Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-])C(F)(F)F ZINC001229537099 1033547090 /nfs/dbraw/zinc/54/70/90/1033547090.db2.gz IOSPXYBZAWQINO-QGZVFWFLSA-N -1 3 382.334 3.804 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc(Cl)c2F)no1 ZINC001206059908 1033703254 /nfs/dbraw/zinc/70/32/54/1033703254.db2.gz JVNVHFNZLHASEW-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)c([O-])c(OC)c1 ZINC001158246688 1033986577 /nfs/dbraw/zinc/98/65/77/1033986577.db2.gz WIXXVWFWFLOUJB-NSHDSACASA-N -1 3 377.824 3.658 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(OC(F)F)cc1 ZINC001158338324 1034031955 /nfs/dbraw/zinc/03/19/55/1034031955.db2.gz FRPDPQZDUFXYTF-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(OC(F)F)cc1 ZINC001158338324 1034031970 /nfs/dbraw/zinc/03/19/70/1034031970.db2.gz FRPDPQZDUFXYTF-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM Cc1c(Br)cccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158783859 1034269776 /nfs/dbraw/zinc/26/97/76/1034269776.db2.gz LWSIXHRZUPFFFQ-JOCQHMNTSA-N -1 3 390.281 3.709 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc3nc(Cl)ccc3s2)CC1 ZINC001461893162 1069847597 /nfs/dbraw/zinc/84/75/97/1069847597.db2.gz BKGUEFHXOPQGHJ-UHFFFAOYSA-N -1 3 387.892 3.613 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001207429632 1034365435 /nfs/dbraw/zinc/36/54/35/1034365435.db2.gz FWAKAIXOPLPJLK-SECBINFHSA-N -1 3 399.373 3.662 20 0 GHADHM CCN(Cc1ccc(-c2ccncc2)cc1F)Cc1c([O-])c(C)ncc1CO ZINC001207621781 1034493168 /nfs/dbraw/zinc/49/31/68/1034493168.db2.gz JWDZQKUAWRTVRS-UHFFFAOYSA-N -1 3 381.451 3.811 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[N-]OCCOc1ccccc1 ZINC001159229238 1034495785 /nfs/dbraw/zinc/49/57/85/1034495785.db2.gz YBASCDVQCFNBKQ-UHFFFAOYSA-N -1 3 386.448 3.703 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)cc1 ZINC001231526725 1034678935 /nfs/dbraw/zinc/67/89/35/1034678935.db2.gz UCYGQNLCCKAYIL-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM COc1cccnc1O[C@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231525657 1034679204 /nfs/dbraw/zinc/67/92/04/1034679204.db2.gz DPVHQPOYMSCLIV-AWEZNQCLSA-N -1 3 382.382 3.858 20 0 GHADHM COc1cccc(-n2ccnc2SCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC001159657662 1034705365 /nfs/dbraw/zinc/70/53/65/1034705365.db2.gz NTEJNKXCZUHUTP-UHFFFAOYSA-N -1 3 389.864 3.971 20 0 GHADHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1Cl ZINC001231666528 1034821238 /nfs/dbraw/zinc/82/12/38/1034821238.db2.gz STWBGVURAFFTDJ-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001277549013 1034825991 /nfs/dbraw/zinc/82/59/91/1034825991.db2.gz WDCOXYRIFVGMJL-HZPDHXFCSA-N -1 3 381.314 3.520 20 0 GHADHM [O-]c1cc(CN2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)ccc1Cl ZINC001231731755 1034868938 /nfs/dbraw/zinc/86/89/38/1034868938.db2.gz UFEGDVKXBZOVES-GHTZIAJQSA-N -1 3 388.895 3.781 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCN2c3ccccc3CC[C@@H]2C)sc1Cl ZINC001208385582 1034878696 /nfs/dbraw/zinc/87/86/96/1034878696.db2.gz IAISBZLETJTSOE-ZDUSSCGKSA-N -1 3 384.954 3.830 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCc4cc(Br)ccc43)n[n-]2)o1 ZINC001160949269 1035101943 /nfs/dbraw/zinc/10/19/43/1035101943.db2.gz UTTOAXBRBDEBOH-ZDUSSCGKSA-N -1 3 387.237 3.804 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC001161288607 1035203001 /nfs/dbraw/zinc/20/30/01/1035203001.db2.gz DVISOKKXXGUXDE-UZUQRXQVSA-N -1 3 385.504 3.931 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001161505599 1035244382 /nfs/dbraw/zinc/24/43/82/1035244382.db2.gz IPWWHCYFKDUUAN-CABCVRRESA-N -1 3 394.512 3.993 20 0 GHADHM COc1cc(F)c(F)cc1-c1noc([C@@H](N)Cc2ccc([O-])c(Cl)c2)n1 ZINC001248249227 1035696433 /nfs/dbraw/zinc/69/64/33/1035696433.db2.gz GMJYOTLYNRSFFA-ZDUSSCGKSA-N -1 3 381.766 3.625 20 0 GHADHM CC(=O)N1CCC2(CC1)C(=O)Nc1cc(-c3cc(C)c([O-])c(Cl)c3)ccc12 ZINC001244537104 1036538609 /nfs/dbraw/zinc/53/86/09/1036538609.db2.gz GUZMPZSHNATXIK-UHFFFAOYSA-N -1 3 384.863 3.853 20 0 GHADHM [O-]c1ccc(CN2CCCC(F)(F)[C@H](F)C2)cc1I ZINC001232868599 1038631536 /nfs/dbraw/zinc/63/15/36/1038631536.db2.gz RMJJNLQJXBPOHA-GFCCVEGCSA-N -1 3 385.167 3.566 20 0 GHADHM [O-]c1ccc(CN2CCc3cc(F)ccc3C2)cc1I ZINC001232870040 1038635250 /nfs/dbraw/zinc/63/52/50/1038635250.db2.gz LPQHFZPRPDECTM-UHFFFAOYSA-N -1 3 383.204 3.694 20 0 GHADHM O=C(c1ccsc1)N1CCC2(CCN(Cc3cc([O-])c(F)c(F)c3)C2)CC1 ZINC001232972037 1038743451 /nfs/dbraw/zinc/74/34/51/1038743451.db2.gz KBHSUDQRZYODPP-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM COc1ccc(-c2nnc(-c3cc([O-])ccc3I)o2)cc1 ZINC001252029420 1038818553 /nfs/dbraw/zinc/81/85/53/1038818553.db2.gz OWKIGTJBMZWGLX-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM COc1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c(Cl)c1[O-] ZINC001233400097 1039237726 /nfs/dbraw/zinc/23/77/26/1039237726.db2.gz VTXXRXIIUOIBNF-UHFFFAOYSA-N -1 3 386.883 3.506 20 0 GHADHM CCN(Cc1ccc(OC)c([O-])c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233400978 1039241085 /nfs/dbraw/zinc/24/10/85/1039241085.db2.gz HKRUGSNNEWSJBT-AWEZNQCLSA-N -1 3 384.904 3.886 20 0 GHADHM CCOC(=O)c1coc(C2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)n1 ZINC001233401549 1039243027 /nfs/dbraw/zinc/24/30/27/1039243027.db2.gz FEGNPRIUORXCPH-UHFFFAOYSA-N -1 3 394.855 3.599 20 0 GHADHM COc1ccc(CN2CCC[C@H](Oc3ncccc3OC)C2)c(Cl)c1[O-] ZINC001233401701 1039243289 /nfs/dbraw/zinc/24/32/89/1039243289.db2.gz KOKDQEWQFHIFHB-AWEZNQCLSA-N -1 3 378.856 3.501 20 0 GHADHM COc1ccc(CN2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233401493 1039243411 /nfs/dbraw/zinc/24/34/11/1039243411.db2.gz BWQHHEJSRZFCCG-KBPBESRZSA-N -1 3 382.888 3.638 20 0 GHADHM COc1ccc(O[C@H]2CCCN(Cc3ccc(OC)c([O-])c3Cl)C2)nc1 ZINC001233402183 1039245222 /nfs/dbraw/zinc/24/52/22/1039245222.db2.gz FKVZZDVPAYOADS-HNNXBMFYSA-N -1 3 378.856 3.501 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1cccc2ccccc21 ZINC001252918063 1039257484 /nfs/dbraw/zinc/25/74/84/1039257484.db2.gz UTWKWPOBPZXKTK-HXUWFJFHSA-N -1 3 383.469 3.564 20 0 GHADHM COC[C@@H](C)OC[C@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234382217 1039992910 /nfs/dbraw/zinc/99/29/10/1039992910.db2.gz SYXJOMPHOWAMDE-CABCVRRESA-N -1 3 384.428 3.984 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccn1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001254317107 1040169761 /nfs/dbraw/zinc/16/97/61/1040169761.db2.gz JLUBQQHUWWONHC-LBPRGKRZSA-N -1 3 384.301 3.682 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234688817 1040221247 /nfs/dbraw/zinc/22/12/47/1040221247.db2.gz KRYPBKOHHPDXDL-HNNXBMFYSA-N -1 3 383.448 3.628 20 0 GHADHM COc1cc(O[C@H](C)C(C)=O)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234784524 1040315978 /nfs/dbraw/zinc/31/59/78/1040315978.db2.gz SWPJHUWNRVTBMD-GFCCVEGCSA-N -1 3 384.384 3.539 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1C(C)=O ZINC001234792061 1040322965 /nfs/dbraw/zinc/32/29/65/1040322965.db2.gz VTFBHOJKCKTZDX-BDJLRTHQSA-N -1 3 379.453 3.546 20 0 GHADHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cccc(COc3ccccc3)c2)C1 ZINC001462518213 1070321911 /nfs/dbraw/zinc/32/19/11/1070321911.db2.gz BALHJSHHPWFSGB-HXUWFJFHSA-N -1 3 392.421 3.909 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(Br)nc1Cl ZINC001255584783 1041146604 /nfs/dbraw/zinc/14/66/04/1041146604.db2.gz GSKZQSFLCDJZLA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](C3CCCCC3)C(F)(F)F)cc2o1 ZINC001255611606 1041168207 /nfs/dbraw/zinc/16/82/07/1041168207.db2.gz RFSKOMRELQSQDP-HNNXBMFYSA-N -1 3 376.400 3.926 20 0 GHADHM [O-]c1c(Cl)ccc(CN2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001278879721 1041216045 /nfs/dbraw/zinc/21/60/45/1041216045.db2.gz XYHQEBVFJFYRPA-UHFFFAOYSA-N -1 3 381.307 3.520 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)O1 ZINC001462531891 1070334330 /nfs/dbraw/zinc/33/43/30/1070334330.db2.gz HBMXKMGSZVMIEX-AOMKIAJQSA-N -1 3 388.458 3.536 20 0 GHADHM [O-]c1c(Cl)cc(CN2CCN[C@H](c3ccccc3)C2)cc1Br ZINC001235853579 1041379033 /nfs/dbraw/zinc/37/90/33/1041379033.db2.gz CEHWXZYREYFEEG-INIZCTEOSA-N -1 3 381.701 3.955 20 0 GHADHM [O-]c1cc(Cl)cc(-c2cnc(N3CCOCC3)nc2OCc2ccccc2)c1 ZINC001235910176 1041423838 /nfs/dbraw/zinc/42/38/38/1041423838.db2.gz XOWVHNRNEGZDGE-UHFFFAOYSA-N -1 3 397.862 3.918 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Br)cc1F ZINC001256077299 1041511015 /nfs/dbraw/zinc/51/10/15/1041511015.db2.gz JOOQDAYYSJDRPV-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(C(F)(F)F)ccc21)c1ccc(F)cc1F ZINC001256119045 1041551426 /nfs/dbraw/zinc/55/14/26/1041551426.db2.gz SKHIEMCWXPAECL-ZDUSSCGKSA-N -1 3 393.333 3.786 20 0 GHADHM FC(F)(F)c1cc(-c2cccc(Cl)c2CN2CCOCC2)nc(=S)[n-]1 ZINC001236265849 1041646139 /nfs/dbraw/zinc/64/61/39/1041646139.db2.gz UKGGGUBZOHOSKL-UHFFFAOYSA-N -1 3 389.830 3.937 20 0 GHADHM CC(C)OCc1ncn2c1CN(Cc1ccc(Br)c([O-])c1)CCC2 ZINC001236685140 1041830229 /nfs/dbraw/zinc/83/02/29/1041830229.db2.gz JWAHFFSSBDOQED-UHFFFAOYSA-N -1 3 394.313 3.682 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([O-])c1 ZINC001236693548 1041836054 /nfs/dbraw/zinc/83/60/54/1041836054.db2.gz ZFSHTWDSUOSKMH-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM O=C(NC1CCN(Cc2ccc(Br)c([O-])c2)CC1)C1CCCCC1 ZINC001236695691 1041837219 /nfs/dbraw/zinc/83/72/19/1041837219.db2.gz NOKLZSBCIZAAJW-UHFFFAOYSA-N -1 3 395.341 3.816 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1Cc1sc(=O)[n-]c1Cl ZINC001237157087 1042068286 /nfs/dbraw/zinc/06/82/86/1042068286.db2.gz ZPKACIWKYNNEAJ-SECBINFHSA-N -1 3 397.875 3.627 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001237163111 1042072605 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GHADHM O=S(=O)([N-]c1ccc2nccc(Cl)c2c1)c1ccc(-n2cccn2)cc1 ZINC001259370278 1045105846 /nfs/dbraw/zinc/10/58/46/1045105846.db2.gz HQEZSRDTMGOHJM-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1ccc(OC(F)F)cc1 ZINC001259423814 1045142353 /nfs/dbraw/zinc/14/23/53/1045142353.db2.gz AFFGQPUOVJSWDV-UHFFFAOYSA-N -1 3 387.166 3.930 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259445882 1045161459 /nfs/dbraw/zinc/16/14/59/1045161459.db2.gz ZIQJOEHCCWIXGJ-UHFFFAOYSA-N -1 3 391.779 3.529 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC001259449881 1045165966 /nfs/dbraw/zinc/16/59/66/1045165966.db2.gz YWYOYYJNKNXNAS-ZDUSSCGKSA-N -1 3 397.321 3.576 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001295912238 1045185433 /nfs/dbraw/zinc/18/54/33/1045185433.db2.gz DHWZTLPAAZNPMW-KTKRTIGZSA-N -1 3 394.431 3.575 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001295912238 1045185442 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C[C@H]1CN(C(C)(C)CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC001290449223 1049841802 /nfs/dbraw/zinc/84/18/02/1049841802.db2.gz GFPLANMVWOURMF-ROUUACIJSA-N -1 3 396.531 3.601 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)c2ccc(C)cc2)c(F)c1 ZINC001309135468 1050391626 /nfs/dbraw/zinc/39/16/26/1050391626.db2.gz VAFQVLCYAUAOHX-QGZVFWFLSA-N -1 3 379.453 3.740 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CCC2CCCCC2)s1 ZINC001309182502 1050440643 /nfs/dbraw/zinc/44/06/43/1050440643.db2.gz ODVFPEVSTSHYHH-GFCCVEGCSA-N -1 3 389.539 3.571 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001309219501 1050486492 /nfs/dbraw/zinc/48/64/92/1050486492.db2.gz MQYFLJBWOSHACR-INIZCTEOSA-N -1 3 392.912 3.757 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001309219502 1050487389 /nfs/dbraw/zinc/48/73/89/1050487389.db2.gz MQYFLJBWOSHACR-MRXNPFEDSA-N -1 3 392.912 3.757 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC001309235689 1050502395 /nfs/dbraw/zinc/50/23/95/1050502395.db2.gz YIMLTVOWZXXILY-MRXNPFEDSA-N -1 3 392.477 3.615 20 0 GHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001309370043 1050646575 /nfs/dbraw/zinc/64/65/75/1050646575.db2.gz NJOQEKYYTDFRPO-GDBMZVCRSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2OC(F)F)c1 ZINC001309371174 1050648379 /nfs/dbraw/zinc/64/83/79/1050648379.db2.gz NWIMXXGEWMMYRY-SECBINFHSA-N -1 3 394.802 3.823 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1)C(F)(F)F ZINC001309449531 1050727606 /nfs/dbraw/zinc/72/76/06/1050727606.db2.gz GJKWFPFGRYWHIO-UFBFGSQYSA-N -1 3 393.349 3.969 20 0 GHADHM CC(C)(C)c1ccc(C2CCC([N-]S(=O)(=O)N=S(C)(C)=O)CC2)cc1 ZINC001309473761 1050748634 /nfs/dbraw/zinc/74/86/34/1050748634.db2.gz DYQRSIISKHTPBY-UHFFFAOYSA-N -1 3 386.583 3.572 20 0 GHADHM CC[C@]([N-]S(=O)(=O)CC1CC2(CCC2)C1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001309489713 1050760986 /nfs/dbraw/zinc/76/09/86/1050760986.db2.gz XZNMBJZOAWOSTQ-LJQANCHMSA-N -1 3 399.940 3.618 20 0 GHADHM CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCCCC1 ZINC001309516091 1050777021 /nfs/dbraw/zinc/77/70/21/1050777021.db2.gz IDYMEHIYUVKBNJ-UHFFFAOYSA-N -1 3 379.931 3.888 20 0 GHADHM CC(C)C1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001309521125 1050781060 /nfs/dbraw/zinc/78/10/60/1050781060.db2.gz ZQOWHXYXDZMFAT-UHFFFAOYSA-N -1 3 386.233 3.935 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc(Cl)c(Cl)c2)c(F)cc1F ZINC001309537642 1050792500 /nfs/dbraw/zinc/79/25/00/1050792500.db2.gz BJJKABJZDVTVNG-UHFFFAOYSA-N -1 3 396.242 3.937 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2c(F)cccc2F)sc1Cl ZINC001309670039 1050911337 /nfs/dbraw/zinc/91/13/37/1050911337.db2.gz HSVYZSJQZWAIDZ-SECBINFHSA-N -1 3 381.853 3.734 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(C)CCOC2(CCC2)C1 ZINC001309872382 1051015003 /nfs/dbraw/zinc/01/50/03/1051015003.db2.gz UPNSLIHKNHMIRI-SFHVURJKSA-N -1 3 381.469 3.898 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC=CCCC2)cc1Cl ZINC001309937998 1051059017 /nfs/dbraw/zinc/05/90/17/1051059017.db2.gz IZIULMHIZXEEBF-ZDUSSCGKSA-N -1 3 388.892 3.852 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001310060764 1051130575 /nfs/dbraw/zinc/13/05/75/1051130575.db2.gz UYEJUZZJVPAMGX-OAHLLOKOSA-N -1 3 396.447 3.511 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccccn1 ZINC001332274638 1051496337 /nfs/dbraw/zinc/49/63/37/1051496337.db2.gz MKYCMZCINMVSTO-CYBMUJFWSA-N -1 3 393.818 3.824 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cn(CC)nc1C1CC1 ZINC001333583752 1051776821 /nfs/dbraw/zinc/77/68/21/1051776821.db2.gz HQIGEEBMGHBSQU-UHFFFAOYSA-N -1 3 394.431 3.864 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@@H](c1ccccc1)C1CCOCC1 ZINC001333683714 1051808219 /nfs/dbraw/zinc/80/82/19/1051808219.db2.gz FZUHLJLKOVMUKX-SFHVURJKSA-N -1 3 377.282 3.807 20 0 GHADHM Cc1cc(NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)nc2ccccc12 ZINC001333742467 1051826255 /nfs/dbraw/zinc/82/62/55/1051826255.db2.gz WVZKKVPMHWGKQN-UHFFFAOYSA-N -1 3 395.463 3.676 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cc([O-])ccc1Cl)C2 ZINC001337617803 1052516746 /nfs/dbraw/zinc/51/67/46/1052516746.db2.gz JXOWRUVXVMNFCI-UHFFFAOYSA-N -1 3 380.872 3.611 20 0 GHADHM C[C@H]1C[C@H](NC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)C[C@@H](C)C1 ZINC001312048936 1052547274 /nfs/dbraw/zinc/54/72/74/1052547274.db2.gz RUUUMBOJDPDNEH-XNISGKROSA-N -1 3 397.441 3.631 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)C1 ZINC001342935740 1053444287 /nfs/dbraw/zinc/44/42/87/1053444287.db2.gz DQERLTUBBRMBFA-CABCVRRESA-N -1 3 390.557 3.516 20 0 GHADHM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1CCCN1Cc1ccccc1 ZINC001343527380 1053843116 /nfs/dbraw/zinc/84/31/16/1053843116.db2.gz SOGIQXUOCVIGON-MRXNPFEDSA-N -1 3 375.266 3.758 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3)c([O-])cc21 ZINC001343790786 1054031085 /nfs/dbraw/zinc/03/10/85/1054031085.db2.gz UHSVMZOVMHJNBA-ONEGZZNKSA-N -1 3 392.242 3.541 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001317822008 1054269360 /nfs/dbraw/zinc/26/93/60/1054269360.db2.gz IZFHYAQETGLTSD-UHFFFAOYSA-N -1 3 379.416 3.863 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@@H]3CC[C@H](C(F)(F)F)O3)c2)n1 ZINC001344738972 1054712746 /nfs/dbraw/zinc/71/27/46/1054712746.db2.gz HOGVJFFBQORNGC-UONOGXRCSA-N -1 3 382.338 3.563 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cnn4c3nc(C)cc4C)n2)cc1 ZINC001318781362 1054869829 /nfs/dbraw/zinc/86/98/29/1054869829.db2.gz VDOZZUMAOLXTTA-UHFFFAOYSA-N -1 3 396.501 3.839 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1OC)c1ccc(F)cc1F ZINC001319004925 1054986370 /nfs/dbraw/zinc/98/63/70/1054986370.db2.gz IOUJSQQTGOVNRP-AWEZNQCLSA-N -1 3 377.359 3.681 20 0 GHADHM C/C(=C/C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1Cl ZINC001319050121 1055010004 /nfs/dbraw/zinc/01/00/04/1055010004.db2.gz WEGDTUYJSOVXIY-BENRWUELSA-N -1 3 396.871 3.570 20 0 GHADHM Cc1ccn(-c2cccc(C(=O)NCc3ccc([O-])c(Br)c3)c2)n1 ZINC001319263917 1055136305 /nfs/dbraw/zinc/13/63/05/1055136305.db2.gz ZDQVBIVTGOGLAZ-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM O=C(Nc1ccc(-n2cncn2)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001319964539 1055566258 /nfs/dbraw/zinc/56/62/58/1055566258.db2.gz UAKOMSYLCQANCM-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC001320327412 1055755157 /nfs/dbraw/zinc/75/51/57/1055755157.db2.gz XYCNIWHSTYPKLJ-HNNXBMFYSA-N -1 3 378.831 3.968 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@](C)(c3ccccc3)C(F)(F)F)cc2o1 ZINC001320668569 1055922610 /nfs/dbraw/zinc/92/26/10/1055922610.db2.gz NOIRNPCUVPGVPT-INIZCTEOSA-N -1 3 384.379 3.892 20 0 GHADHM COc1cccc(CNC(=S)Nc2cc(Br)ccc2[O-])c1OC ZINC001200517601 1056200196 /nfs/dbraw/zinc/20/01/96/1056200196.db2.gz IZKJRTWNSFKPRM-UHFFFAOYSA-N -1 3 397.294 3.659 20 0 GHADHM COc1cccc(CNC(=S)Nc2ccc([O-])c(Br)c2)c1OC ZINC001200517648 1056200719 /nfs/dbraw/zinc/20/07/19/1056200719.db2.gz KGEWXDOGDJEOHD-UHFFFAOYSA-N -1 3 397.294 3.659 20 0 GHADHM COc1cccc(N2CCC(NC(=O)c3cc([O-])c4ccccc4c3)CC2)c1 ZINC001321469315 1056275754 /nfs/dbraw/zinc/27/57/54/1056275754.db2.gz FIVXHCLSPXBJPR-UHFFFAOYSA-N -1 3 376.456 3.953 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001300564823 1056492175 /nfs/dbraw/zinc/49/21/75/1056492175.db2.gz QAFRFTSHYRANHR-IEBWSBKVSA-N -1 3 396.487 3.915 20 0 GHADHM CN(Cc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)OC(C)(C)C ZINC000848189968 1056839455 /nfs/dbraw/zinc/83/94/55/1056839455.db2.gz QIGDAJRZYSSWFD-UHFFFAOYSA-N -1 3 398.463 3.679 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001323407417 1056965194 /nfs/dbraw/zinc/96/51/94/1056965194.db2.gz CVPYJQOLKPZDOA-UHFFFAOYSA-N -1 3 393.409 3.848 20 0 GHADHM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000848362958 1057045586 /nfs/dbraw/zinc/04/55/86/1057045586.db2.gz CTEGENCQJJSDKT-INIZCTEOSA-N -1 3 398.484 3.685 20 0 GHADHM Cc1nc2cc(F)cc(C(=O)[N-]c3nnc(-c4ccncc4)s3)c2nc1C ZINC001324011408 1057054937 /nfs/dbraw/zinc/05/49/37/1057054937.db2.gz NENASKMJQHJURC-UHFFFAOYSA-N -1 3 380.408 3.552 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC001324219109 1057090848 /nfs/dbraw/zinc/09/08/48/1057090848.db2.gz GZYAOVHBVWNHEG-UHFFFAOYSA-N -1 3 395.790 3.836 20 0 GHADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001324441445 1057136132 /nfs/dbraw/zinc/13/61/32/1057136132.db2.gz UCOJMCQVIDHLIE-UHFFFAOYSA-N -1 3 397.806 3.572 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)CNC(=O)OC(C)(C)C ZINC001325293237 1057307162 /nfs/dbraw/zinc/30/71/62/1057307162.db2.gz WPVOLQPBYZZADN-SECBINFHSA-N -1 3 387.274 3.562 20 0 GHADHM CC[C@H](C)c1nc(C)c(CC(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1 ZINC000848865733 1057376151 /nfs/dbraw/zinc/37/61/51/1057376151.db2.gz MCDOGWNVJOXKKY-LBPRGKRZSA-N -1 3 396.447 3.648 20 0 GHADHM Cc1coc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1C ZINC001325874890 1057377979 /nfs/dbraw/zinc/37/79/79/1057377979.db2.gz RBNRQLMFXZRWPQ-UHFFFAOYSA-N -1 3 376.356 3.539 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC001326098344 1057413834 /nfs/dbraw/zinc/41/38/34/1057413834.db2.gz PCXBGEONZPKCFY-CHWSQXEVSA-N -1 3 394.393 3.856 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001338008812 1058368943 /nfs/dbraw/zinc/36/89/43/1058368943.db2.gz YKNHHJYFNKMBPP-LBPRGKRZSA-N -1 3 388.821 3.738 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C=Cc3cccc(OCC)c3)nc21 ZINC001439999734 1058382786 /nfs/dbraw/zinc/38/27/86/1058382786.db2.gz UFDVSYBDIJNCAU-QXMHVHEDSA-N -1 3 379.416 3.790 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccccc3F)nc21 ZINC001440000924 1058382922 /nfs/dbraw/zinc/38/29/22/1058382922.db2.gz YNJODGUXGTUIAJ-UHFFFAOYSA-N -1 3 385.395 3.676 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001440475715 1058520537 /nfs/dbraw/zinc/52/05/37/1058520537.db2.gz FZLULSIDXWGEEA-UHFFFAOYSA-N -1 3 377.400 3.582 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001441478426 1058791099 /nfs/dbraw/zinc/79/10/99/1058791099.db2.gz CQOXFGXJBFIUBM-KRWDZBQOSA-N -1 3 384.476 3.552 20 0 GHADHM O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC001441592942 1058822040 /nfs/dbraw/zinc/82/20/40/1058822040.db2.gz QEWYQSODYBCSBB-UHFFFAOYSA-N -1 3 385.439 3.598 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@H](C)CC)c1 ZINC001441696474 1058847907 /nfs/dbraw/zinc/84/79/07/1058847907.db2.gz RRJKPLKVHRUEGF-ZUOKHONESA-N -1 3 392.459 3.910 20 0 GHADHM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001442077094 1058912770 /nfs/dbraw/zinc/91/27/70/1058912770.db2.gz OGKNEVYVUCAMLK-UHFFFAOYSA-N -1 3 391.265 3.854 20 0 GHADHM CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1[O-])N1CCc2ccccc2C1 ZINC001442333204 1058949065 /nfs/dbraw/zinc/94/90/65/1058949065.db2.gz QZAFHPDKPFPXBZ-UHFFFAOYSA-N -1 3 392.421 3.978 20 0 GHADHM CCOC(=O)N=c1[nH]c2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2s1 ZINC001442401171 1058958223 /nfs/dbraw/zinc/95/82/23/1058958223.db2.gz IUMVEOKALRQPAP-UHFFFAOYSA-N -1 3 389.408 3.891 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001442655394 1058989166 /nfs/dbraw/zinc/98/91/66/1058989166.db2.gz FFMONKOPBXDDAQ-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001442655394 1058989170 /nfs/dbraw/zinc/98/91/70/1058989170.db2.gz FFMONKOPBXDDAQ-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1F ZINC001339221737 1059020309 /nfs/dbraw/zinc/02/03/09/1059020309.db2.gz AYIVFLYLBPEXSA-LLVKDONJSA-N -1 3 391.321 3.550 20 0 GHADHM COc1cccc2c1OC[C@H](NC(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC001443316906 1059105634 /nfs/dbraw/zinc/10/56/34/1059105634.db2.gz XSLAEOMQBHMCLF-LJQANCHMSA-N -1 3 389.451 3.725 20 0 GHADHM CN(CCN(C)c1ccccc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001443638831 1059164804 /nfs/dbraw/zinc/16/48/04/1059164804.db2.gz DDSZVOJNWNDSEO-UHFFFAOYSA-N -1 3 390.509 3.699 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001443811377 1059208928 /nfs/dbraw/zinc/20/89/28/1059208928.db2.gz ZIRKPXYQEISWOT-UHFFFAOYSA-N -1 3 399.443 3.686 20 0 GHADHM CS[C@H]1CC[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC001339556109 1059298883 /nfs/dbraw/zinc/29/88/83/1059298883.db2.gz SKKNSFXXKYUFRQ-NEPJUHHUSA-N -1 3 395.322 3.647 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc4c(ccnc4Cl)o3)n[nH]2)cc1OC ZINC001444580842 1059344551 /nfs/dbraw/zinc/34/45/51/1059344551.db2.gz LVFNGUDLGRBXJI-UHFFFAOYSA-N -1 3 399.794 3.536 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001444933987 1059415517 /nfs/dbraw/zinc/41/55/17/1059415517.db2.gz JJGHJXOAXLEXTA-KRWDZBQOSA-N -1 3 378.513 3.966 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H]3CCc4c3cccc4F)[n-]c(=O)c21 ZINC001339879084 1059532488 /nfs/dbraw/zinc/53/24/88/1059532488.db2.gz LKOMBELIUYWBOI-AWEZNQCLSA-N -1 3 385.420 3.744 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001340009847 1059615631 /nfs/dbraw/zinc/61/56/31/1059615631.db2.gz AUFCFTLZIYJYOC-IAGOWNOFSA-N -1 3 390.915 3.590 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)[C@@H](O)c1ccccc1F ZINC001445791536 1059619438 /nfs/dbraw/zinc/61/94/38/1059619438.db2.gz AZNNSHPLODVKET-CABCVRRESA-N -1 3 386.801 3.903 20 0 GHADHM Cc1c(=O)[nH]c2ccccc2c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001445914618 1059654345 /nfs/dbraw/zinc/65/43/45/1059654345.db2.gz XQXKRIXYFQRLHS-UHFFFAOYSA-N -1 3 387.233 3.647 20 0 GHADHM CN1CCc2ccc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)cc21 ZINC001446845978 1059880536 /nfs/dbraw/zinc/88/05/36/1059880536.db2.gz OMBXANRHAQVDKN-UHFFFAOYSA-N -1 3 375.428 3.616 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Br)cc2c1OCCO2 ZINC001447285561 1059943407 /nfs/dbraw/zinc/94/34/07/1059943407.db2.gz DYRPMJPMGLRNCK-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001340764570 1060103541 /nfs/dbraw/zinc/10/35/41/1060103541.db2.gz ZWACKFACHLKPKT-LBPRGKRZSA-N -1 3 398.898 3.589 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1NC(=O)N(C)C ZINC001448192499 1060131599 /nfs/dbraw/zinc/13/15/99/1060131599.db2.gz OEIREVUQGIXDQX-UHFFFAOYSA-N -1 3 398.850 3.836 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccc(Cl)c(Cl)c1 ZINC001340891281 1060227675 /nfs/dbraw/zinc/22/76/75/1060227675.db2.gz PJPPPHYNDDLLCW-UHFFFAOYSA-N -1 3 393.278 3.712 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001449188727 1060347561 /nfs/dbraw/zinc/34/75/61/1060347561.db2.gz ITMQNUHNCKJIFN-GJZGRUSLSA-N -1 3 383.492 3.868 20 0 GHADHM Cc1nc2cccc(C(=O)Nc3cc(C)cc(C[N-]C(=O)C(F)(F)F)c3)c2[nH]1 ZINC001449472363 1060410348 /nfs/dbraw/zinc/41/03/48/1060410348.db2.gz MPXWBRKZDRRJPA-UHFFFAOYSA-N -1 3 390.365 3.611 20 0 GHADHM COc1cc(C(=O)NC/C=C\c2ccc(Br)cc2)cc(OC)c1[O-] ZINC001450108123 1060529875 /nfs/dbraw/zinc/52/98/75/1060529875.db2.gz JTWDBYRSTCZCAG-ARJAWSKDSA-N -1 3 392.249 3.615 20 0 GHADHM COc1ccc(OCCC(=O)Nc2c([O-])ccc(Br)c2C)cc1 ZINC001450231911 1060557651 /nfs/dbraw/zinc/55/76/51/1060557651.db2.gz RPWZOZQAMYDKRO-UHFFFAOYSA-N -1 3 380.238 3.879 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)c2)c1 ZINC001450898728 1060713034 /nfs/dbraw/zinc/71/30/34/1060713034.db2.gz HVCNLKACTOCZNQ-UHFFFAOYSA-N -1 3 399.454 3.930 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)c2)c1 ZINC001450898728 1060713045 /nfs/dbraw/zinc/71/30/45/1060713045.db2.gz HVCNLKACTOCZNQ-UHFFFAOYSA-N -1 3 399.454 3.930 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1sc2cc(Cl)ccc2c1Cl ZINC001452722455 1060993327 /nfs/dbraw/zinc/99/33/27/1060993327.db2.gz NHUUEHKWDRLIMU-UHFFFAOYSA-N -1 3 386.285 3.922 20 0 GHADHM O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452725113 1060994157 /nfs/dbraw/zinc/99/41/57/1060994157.db2.gz HPERNITVVIJBAT-INIZCTEOSA-N -1 3 397.862 3.977 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC001454298677 1061703683 /nfs/dbraw/zinc/70/36/83/1061703683.db2.gz VSWNMMRCKZRHQD-JOCQHMNTSA-N -1 3 380.510 3.680 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnc(Cl)cc1C(F)(F)F ZINC001346694324 1061799581 /nfs/dbraw/zinc/79/95/81/1061799581.db2.gz COQASHUIPXYVNL-UHFFFAOYSA-N -1 3 390.696 3.962 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001454721770 1061920990 /nfs/dbraw/zinc/92/09/90/1061920990.db2.gz KUZHDVFKGXFIGD-MRXNPFEDSA-N -1 3 387.785 3.819 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001454721768 1061921380 /nfs/dbraw/zinc/92/13/80/1061921380.db2.gz KUZHDVFKGXFIGD-INIZCTEOSA-N -1 3 387.785 3.819 20 0 GHADHM C[C@H](CO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545858404 1062044784 /nfs/dbraw/zinc/04/47/84/1062044784.db2.gz PXJQPLWTQMNDDP-CQSZACIVSA-N -1 3 396.459 3.530 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCCC)[C@H]2CCc3ncsc3C2)c1 ZINC001347047553 1062069440 /nfs/dbraw/zinc/06/94/40/1062069440.db2.gz KSQXFJYZRVVXCF-HNNXBMFYSA-N -1 3 399.516 3.773 20 0 GHADHM O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC(Cc2nnn[n-]2)CC1 ZINC001455356498 1062114787 /nfs/dbraw/zinc/11/47/87/1062114787.db2.gz VPZPPDSOWZKKMA-UHFFFAOYSA-N -1 3 396.303 3.816 20 0 GHADHM O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC(Cc2nn[n-]n2)CC1 ZINC001455356498 1062114791 /nfs/dbraw/zinc/11/47/91/1062114791.db2.gz VPZPPDSOWZKKMA-UHFFFAOYSA-N -1 3 396.303 3.816 20 0 GHADHM CC(C)(C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccc(Cl)cc1F ZINC001455387264 1062120486 /nfs/dbraw/zinc/12/04/86/1062120486.db2.gz JINAEKLHHTYXOC-UHFFFAOYSA-N -1 3 375.831 3.672 20 0 GHADHM Cc1nc2c(cccc2CCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)o1 ZINC001455540256 1062211946 /nfs/dbraw/zinc/21/19/46/1062211946.db2.gz GXAQPKAJZYDRII-UHFFFAOYSA-N -1 3 381.819 3.604 20 0 GHADHM COC(=O)[C@](C)([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)c1ccccc1 ZINC001435045168 1062239103 /nfs/dbraw/zinc/23/91/03/1062239103.db2.gz YMUCLUHCVVJMEJ-GOSISDBHSA-N -1 3 397.805 3.645 20 0 GHADHM O=C(NCc1cscc1Cl)c1c[n-]c2ccc(Br)cc2c1=O ZINC001455861392 1062331836 /nfs/dbraw/zinc/33/18/36/1062331836.db2.gz QGBOFLVCNZXRBS-UHFFFAOYSA-N -1 3 397.681 3.936 20 0 GHADHM Cc1cccc2c(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)coc21 ZINC001347521893 1062462480 /nfs/dbraw/zinc/46/24/80/1062462480.db2.gz NKUWWNODSUZDDA-HSZRJFAPSA-N -1 3 392.455 3.590 20 0 GHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cnc(F)c(Br)c1 ZINC001456169985 1062526742 /nfs/dbraw/zinc/52/67/42/1062526742.db2.gz GREIUDWFMDAYQY-UHFFFAOYSA-N -1 3 393.241 3.678 20 0 GHADHM COc1ccc([C@H]2CCCN2c2nnc(-c3c[n-]oc3=O)n2CC2CC2)cc1F ZINC001347682261 1062570432 /nfs/dbraw/zinc/57/04/32/1062570432.db2.gz ARXGUFUKILLOKF-MRXNPFEDSA-N -1 3 399.426 3.538 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 ZINC001456691624 1062816192 /nfs/dbraw/zinc/81/61/92/1062816192.db2.gz YHCATCJBNDQMIJ-MRXNPFEDSA-N -1 3 381.350 3.618 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)o2)c([O-])c(OC)c1 ZINC001456741590 1062836028 /nfs/dbraw/zinc/83/60/28/1062836028.db2.gz BJDCIDISPXBBFS-UHFFFAOYSA-N -1 3 383.356 3.825 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(Cc3cccc(Cl)c3)CC2)c([O-])c(OC)c1 ZINC001456750693 1062840507 /nfs/dbraw/zinc/84/05/07/1062840507.db2.gz YMUYZCXDSVRJSK-UHFFFAOYSA-N -1 3 389.835 3.802 20 0 GHADHM O=C(Nc1nnc(-c2ccsc2)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457575330 1063258824 /nfs/dbraw/zinc/25/88/24/1063258824.db2.gz CGXDDIVBWCCIAD-UHFFFAOYSA-N -1 3 390.396 3.639 20 0 GHADHM CC(C)[C@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c2ccccc2N1 ZINC001457691456 1063314988 /nfs/dbraw/zinc/31/49/88/1063314988.db2.gz JOQICTUICVYXRV-GOSISDBHSA-N -1 3 383.398 3.903 20 0 GHADHM CC[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)N(C)C(=O)OC(C)(C)C ZINC001457778066 1063360093 /nfs/dbraw/zinc/36/00/93/1063360093.db2.gz GZZGLGUWSWQWOU-CYBMUJFWSA-N -1 3 399.451 3.802 20 0 GHADHM CC(C)(C)CCN(CCc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001457986719 1063487087 /nfs/dbraw/zinc/48/70/87/1063487087.db2.gz UNBGMWYIORMZMQ-UHFFFAOYSA-N -1 3 382.504 3.630 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(Cl)nn1 ZINC001436768999 1063640898 /nfs/dbraw/zinc/64/08/98/1063640898.db2.gz DSQPMZKFLPPBGB-UHFFFAOYSA-N -1 3 399.785 3.843 20 0 GHADHM O=C([N-][C@H]1COCc2ccccc21)C(F)(F)c1cccc(Br)c1 ZINC001436879110 1063689326 /nfs/dbraw/zinc/68/93/26/1063689326.db2.gz RRLGBOHAFWCBCR-HNNXBMFYSA-N -1 3 382.204 3.929 20 0 GHADHM CCOC(=O)c1csc([N-]C(=O)c2coc(C(C)(C)C)n2)c1C(=O)OCC ZINC001438501925 1064059899 /nfs/dbraw/zinc/05/98/99/1064059899.db2.gz XGBKGLAATQHBHC-UHFFFAOYSA-N -1 3 394.449 3.639 20 0 GHADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001438630527 1064087157 /nfs/dbraw/zinc/08/71/57/1064087157.db2.gz FKKNRPLRRKGGFP-UHFFFAOYSA-N -1 3 376.313 3.953 20 0 GHADHM CCOC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(F)cc1F ZINC001439308830 1064224074 /nfs/dbraw/zinc/22/40/74/1064224074.db2.gz BYKHLHRSBGWGLT-OAHLLOKOSA-N -1 3 398.356 3.571 20 0 GHADHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccccc2F)CC[C@H](C)c2ccccc21 ZINC001463443811 1064355016 /nfs/dbraw/zinc/35/50/16/1064355016.db2.gz JIQUBKYDECCLKF-RNODOKPDSA-N -1 3 391.389 4.000 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)c1cc(C)cc(C)c1 ZINC001463577904 1064475588 /nfs/dbraw/zinc/47/55/88/1064475588.db2.gz PHSIXAKSNMOAMM-CNZFZVQHSA-N -1 3 393.892 3.761 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)c1ccccc1 ZINC001463779233 1064611168 /nfs/dbraw/zinc/61/11/68/1064611168.db2.gz VWQRMTPOVYCVQI-UHFFFAOYSA-N -1 3 386.498 3.750 20 0 GHADHM O=C([N-]CC1CCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CC1)C(F)(F)F ZINC000847099160 1064702204 /nfs/dbraw/zinc/70/22/04/1064702204.db2.gz ORODLVSGJUIATG-ZWKOTPCHSA-N -1 3 396.453 3.563 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC001463937403 1064729576 /nfs/dbraw/zinc/72/95/76/1064729576.db2.gz ZLJSBKIWEWOHMF-SNVBAGLBSA-N -1 3 394.306 3.844 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C1CCC1)C1CCCCC1 ZINC001463952470 1064736655 /nfs/dbraw/zinc/73/66/55/1064736655.db2.gz BLZFIZSZYQMLQY-GOSISDBHSA-N -1 3 383.485 3.640 20 0 GHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C ZINC001463963275 1064742800 /nfs/dbraw/zinc/74/28/00/1064742800.db2.gz VRUGRJGZHIVBHD-LBPRGKRZSA-N -1 3 396.336 3.886 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)C1CCCCCC1 ZINC001463972169 1064745777 /nfs/dbraw/zinc/74/57/77/1064745777.db2.gz CRLJZAPKYIGZHY-GOEBONIOSA-N -1 3 395.512 3.633 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(Br)cc2[O-])n1 ZINC001464141265 1064854645 /nfs/dbraw/zinc/85/46/45/1064854645.db2.gz LKASGVBYZBPSEK-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC001464182944 1064893690 /nfs/dbraw/zinc/89/36/90/1064893690.db2.gz YGHNVXNYTHJOQD-GFCCVEGCSA-N -1 3 381.457 3.960 20 0 GHADHM O=S(=O)([N-]Cc1ccsc1C(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC001464201837 1064905036 /nfs/dbraw/zinc/90/50/36/1064905036.db2.gz CBQKJCKXEHCDGG-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC001464224145 1064915478 /nfs/dbraw/zinc/91/54/78/1064915478.db2.gz YFPWZSOBNZCKSY-UHFFFAOYSA-N -1 3 395.419 3.714 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c2ccccc21 ZINC001464287623 1064943113 /nfs/dbraw/zinc/94/31/13/1064943113.db2.gz HAOXGGKGCIXITJ-GFCCVEGCSA-N -1 3 378.881 3.866 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@]12CCCO2)c1ccc(Cl)cc1C(F)(F)F ZINC001464386006 1064982049 /nfs/dbraw/zinc/98/20/49/1064982049.db2.gz QNIWYIMUYMBYEF-KGLIPLIRSA-N -1 3 383.819 3.739 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)c([O-])c1 ZINC001464422653 1064999117 /nfs/dbraw/zinc/99/91/17/1064999117.db2.gz MJQWUBMZSTXEME-QGZVFWFLSA-N -1 3 382.504 3.666 20 0 GHADHM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001464473399 1065031885 /nfs/dbraw/zinc/03/18/85/1065031885.db2.gz NXVFDRIKHLSCCI-UHFFFAOYSA-N -1 3 391.265 3.935 20 0 GHADHM Cc1ccccc1-n1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)nn1 ZINC001352442440 1065048865 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ZINC001467650125 1067401269 /nfs/dbraw/zinc/40/12/69/1067401269.db2.gz AQLLFMSGSPQFIX-UHFFFAOYSA-N -1 3 391.818 3.967 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C[C@@H]2CNc3ccccc32)c1 ZINC001358342414 1067489389 /nfs/dbraw/zinc/48/93/89/1067489389.db2.gz QCVMFEFVGOOPMS-CABCVRRESA-N -1 3 384.501 3.555 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ccnc(F)c2)CC1 ZINC001468163415 1067615865 /nfs/dbraw/zinc/61/58/65/1067615865.db2.gz JXCGVANZQWEHQN-UHFFFAOYSA-N -1 3 393.418 3.681 20 0 GHADHM CC(=O)c1cccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)c1[O-] ZINC001468601220 1067785984 /nfs/dbraw/zinc/78/59/84/1067785984.db2.gz LYMWBJHIGINHAN-CPNJWEJPSA-N -1 3 390.395 3.597 20 0 GHADHM CN(C)C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccc(F)cc1 ZINC001468650310 1067806922 /nfs/dbraw/zinc/80/69/22/1067806922.db2.gz LKJRFDLJEPSYMA-IBGZPJMESA-N -1 3 396.418 3.637 20 0 GHADHM CC1CCN([C@H](CNC(=O)C2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000849364728 1067823007 /nfs/dbraw/zinc/82/30/07/1067823007.db2.gz OAWRBCLGLYXDID-OFLPRAFFSA-N -1 3 378.538 3.528 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)cc2[O-])[C@H](c2ccccc2)C1 ZINC001468804904 1067890957 /nfs/dbraw/zinc/89/09/57/1067890957.db2.gz JBKABNVSWWCOQE-SFHVURJKSA-N -1 3 398.459 3.532 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2cc(Br)cc(F)c2[O-])c(F)c1 ZINC001468973038 1067941431 /nfs/dbraw/zinc/94/14/31/1067941431.db2.gz ZCGKKHGFTFAKJI-UHFFFAOYSA-N -1 3 385.208 3.747 20 0 GHADHM O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469713952 1068331716 /nfs/dbraw/zinc/33/17/16/1068331716.db2.gz FRCFEVSJXXYNRH-CYBMUJFWSA-N -1 3 386.249 3.661 20 0 GHADHM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000769515211 1068370494 /nfs/dbraw/zinc/37/04/94/1068370494.db2.gz AQSJWSAWKQFXBR-XMSQKQJNSA-N -1 3 394.515 3.662 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001360133059 1068378612 /nfs/dbraw/zinc/37/86/12/1068378612.db2.gz VSBBIZOSDKWVBX-GOEBONIOSA-N -1 3 398.544 3.847 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 ZINC001470098721 1068571762 /nfs/dbraw/zinc/57/17/62/1068571762.db2.gz NIHQDGOAWTWDQC-SFHVURJKSA-N -1 3 394.471 3.727 20 0 GHADHM CCC1(CC)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001470116637 1068580137 /nfs/dbraw/zinc/58/01/37/1068580137.db2.gz JGMKYZYMYYCAMX-UHFFFAOYSA-N -1 3 398.544 3.945 20 0 GHADHM CCC1(CC)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@@H](C)[C@H]1OC ZINC001478218231 1078770118 /nfs/dbraw/zinc/77/01/18/1078770118.db2.gz GFWNPEISDGVTMG-HFBAOOFYSA-N -1 3 399.329 3.794 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCOc3cc(Br)ccc32)o1 ZINC001460371625 1068946020 /nfs/dbraw/zinc/94/60/20/1068946020.db2.gz VRPMTFOSZYMMND-UHFFFAOYSA-N -1 3 388.221 3.604 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001460675623 1069077464 /nfs/dbraw/zinc/07/74/64/1069077464.db2.gz ORIGZXUPZRFKII-GOSISDBHSA-N -1 3 398.507 3.728 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2nnn(-c3ccccc3)c2C(F)F)c(C)s1 ZINC001460793907 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398.459 3.580 20 0 GHADHM CC[C@H](CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-])c1ccc(OC)cc1 ZINC001472228577 1073376193 /nfs/dbraw/zinc/37/61/93/1073376193.db2.gz SIZJGINPBAJDII-CYBMUJFWSA-N -1 3 387.432 3.718 20 0 GHADHM COC(=O)c1cc(NC(=O)C(C)(C)c2cccc(Cl)c2F)c([O-])c(OC)c1 ZINC001472228847 1073376283 /nfs/dbraw/zinc/37/62/83/1073376283.db2.gz XTYYCZOALLDLEF-UHFFFAOYSA-N -1 3 395.814 3.896 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)c([O-])c1 ZINC001472591601 1073565357 /nfs/dbraw/zinc/56/53/57/1073565357.db2.gz ZVTZHIROUGEGKL-UHFFFAOYSA-N -1 3 393.386 3.865 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(c3cccc(Br)c3)CC2)n1 ZINC001473422454 1073958347 /nfs/dbraw/zinc/95/83/47/1073958347.db2.gz SJEXSMZPNOKFBG-UHFFFAOYSA-N -1 3 376.298 3.887 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC001479551964 1079227983 /nfs/dbraw/zinc/22/79/83/1079227983.db2.gz SVKHTYOXGFPWOX-FVQBIDKESA-N -1 3 391.899 3.594 20 0 GHADHM Cc1c(Cl)ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1Cl ZINC001474382911 1074377212 /nfs/dbraw/zinc/37/72/12/1074377212.db2.gz JLGMIHMSUUINOQ-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1Cl ZINC001474784484 1074561851 /nfs/dbraw/zinc/56/18/51/1074561851.db2.gz MTWGQXSSXGCGLT-OAHLLOKOSA-N -1 3 391.295 3.714 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccsc1 ZINC001474830900 1074583943 /nfs/dbraw/zinc/58/39/43/1074583943.db2.gz UJAIIPFKUCXVMR-INIZCTEOSA-N -1 3 388.505 3.696 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)c(F)c1F ZINC001474841592 1074588351 /nfs/dbraw/zinc/58/83/51/1074588351.db2.gz FBWAYLCGFCGWHR-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c2ncccc12 ZINC001474843935 1074589502 /nfs/dbraw/zinc/58/95/02/1074589502.db2.gz SPCLGHNYSCPLPR-QGZVFWFLSA-N -1 3 396.390 3.825 20 0 GHADHM C[S@@](=O)(=NS(=O)(=O)[N-]CCCCCc1ccccc1)C1CCCCC1 ZINC001474927120 1074635742 /nfs/dbraw/zinc/63/57/42/1074635742.db2.gz WKAFOQBOKFVTPM-DEOSSOPVSA-N -1 3 386.583 3.664 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)c1 ZINC001474927480 1074635878 /nfs/dbraw/zinc/63/58/78/1074635878.db2.gz KDVBMSAUBNFOLR-PBHICJAKSA-N -1 3 385.501 3.886 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCCC(C)(C)C)c(C)c1Cl ZINC001474950794 1074647911 /nfs/dbraw/zinc/64/79/11/1074647911.db2.gz RNTHSAYKQCOGOP-UHFFFAOYSA-N -1 3 381.947 3.991 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1noc(-c2ccccc2)n1 ZINC001475098861 1074735874 /nfs/dbraw/zinc/73/58/74/1074735874.db2.gz BYGIZUNNNRWQFG-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM O=C1C[C@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c2ccccc21 ZINC001475143506 1074756062 /nfs/dbraw/zinc/75/60/62/1074756062.db2.gz UXXILYJIULJZDT-KRWDZBQOSA-N -1 3 398.415 3.619 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2F)cc1F ZINC001475154478 1074760677 /nfs/dbraw/zinc/76/06/77/1074760677.db2.gz UQQZDJHEUKIMJO-MRVPVSSYSA-N -1 3 379.787 3.805 20 0 GHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC001475179635 1074772431 /nfs/dbraw/zinc/77/24/31/1074772431.db2.gz LCNVAISWVJRYKY-UHFFFAOYSA-N -1 3 383.872 3.888 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1ccc(Cl)cc1F ZINC001475204219 1074784242 /nfs/dbraw/zinc/78/42/42/1074784242.db2.gz BCSHYMNBLLJUCX-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001475210878 1074787267 /nfs/dbraw/zinc/78/72/67/1074787267.db2.gz AAKYLJNEJHUKSR-GJZGRUSLSA-N -1 3 381.444 3.663 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccco1)c1cc(Cl)ccc1Br ZINC001475384948 1074856014 /nfs/dbraw/zinc/85/60/14/1074856014.db2.gz PIPBOWIWBSUWFP-MWLCHTKSSA-N -1 3 376.659 3.530 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001475385519 1074856608 /nfs/dbraw/zinc/85/66/08/1074856608.db2.gz KGMBCUPAWKTLJL-DAXOMENPSA-N -1 3 381.929 3.633 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c(C)cccc32)c1 ZINC001475529999 1074905856 /nfs/dbraw/zinc/90/58/56/1074905856.db2.gz UBQQKQOOZFJOFT-SFHVURJKSA-N -1 3 391.464 3.667 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC001475535763 1074907265 /nfs/dbraw/zinc/90/72/65/1074907265.db2.gz JQJAXNBEXSPGSB-OTYXRUKQSA-N -1 3 378.252 3.533 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCCS1)c1cccc(Cl)c1Br ZINC001475541783 1074909048 /nfs/dbraw/zinc/90/90/48/1074909048.db2.gz ROGVJVOHTNPUDC-VIFPVBQESA-N -1 3 384.748 3.667 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)[C@@H]2CCCCO2)c(-c2ccccc2)s1 ZINC001475583285 1074920258 /nfs/dbraw/zinc/92/02/58/1074920258.db2.gz QFWUQVXYXXLBRB-INIZCTEOSA-N -1 3 394.562 3.992 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CCCc1ccccc1)c1cccc2ccccc21 ZINC001475689375 1075000087 /nfs/dbraw/zinc/00/00/87/1075000087.db2.gz SBHOHKRKUYXLNP-OAQYLSRUSA-N -1 3 397.496 3.606 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC001475768502 1075017832 /nfs/dbraw/zinc/01/78/32/1075017832.db2.gz BUBVTUADPDQBSU-SECBINFHSA-N -1 3 391.333 3.828 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001476138829 1075092980 /nfs/dbraw/zinc/09/29/80/1075092980.db2.gz WIGWIDZUJDFCKD-VIFPVBQESA-N -1 3 387.362 3.502 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)n[n-]1 ZINC000540975778 564262167 /nfs/dbraw/zinc/26/21/67/564262167.db2.gz KKMSMEAPNSMYJX-UHFFFAOYSA-N -1 3 390.248 3.556 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)[n-]n1 ZINC000540975778 564262170 /nfs/dbraw/zinc/26/21/70/564262170.db2.gz KKMSMEAPNSMYJX-UHFFFAOYSA-N -1 3 390.248 3.556 20 0 GHADHM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1OCCC(C)C ZINC000737356961 598839100 /nfs/dbraw/zinc/83/91/00/598839100.db2.gz KXYIHHCIZOTOSG-UHFFFAOYSA-N -1 3 379.464 3.781 20 0 GHADHM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1OCCC(C)C ZINC000737356961 598839102 /nfs/dbraw/zinc/83/91/02/598839102.db2.gz KXYIHHCIZOTOSG-UHFFFAOYSA-N -1 3 379.464 3.781 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1sccc1-c1nnn[n-]1 ZINC000738212671 598866799 /nfs/dbraw/zinc/86/67/99/598866799.db2.gz STRYIGNAOQAQSW-UHFFFAOYSA-N -1 3 382.474 3.669 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1sccc1-c1nn[n-]n1 ZINC000738212671 598866800 /nfs/dbraw/zinc/86/68/00/598866800.db2.gz STRYIGNAOQAQSW-UHFFFAOYSA-N -1 3 382.474 3.669 20 0 GHADHM COC(=O)[C@H](Nc1cccc(SC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898733 598885159 /nfs/dbraw/zinc/88/51/59/598885159.db2.gz RSAHHZLSSLEREY-CQSZACIVSA-N -1 3 391.403 3.508 20 0 GHADHM COC(=O)[C@H](Nc1cccc(SC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898733 598885160 /nfs/dbraw/zinc/88/51/60/598885160.db2.gz RSAHHZLSSLEREY-CQSZACIVSA-N -1 3 391.403 3.508 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000735660313 598888322 /nfs/dbraw/zinc/88/83/22/598888322.db2.gz LRWVFZNKRQADKS-UHFFFAOYSA-N -1 3 377.452 3.507 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000735660313 598888324 /nfs/dbraw/zinc/88/83/24/598888324.db2.gz LRWVFZNKRQADKS-UHFFFAOYSA-N -1 3 377.452 3.507 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736261620 598890522 /nfs/dbraw/zinc/89/05/22/598890522.db2.gz LBDPRMPLPISPLO-WFASDCNBSA-N -1 3 382.493 3.583 20 0 GHADHM O=C(Nc1cc(Cl)ccn1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738145474 598893713 /nfs/dbraw/zinc/89/37/13/598893713.db2.gz RCYKNHQFOKTWTH-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1cc(Cl)ccn1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738145474 598893715 /nfs/dbraw/zinc/89/37/15/598893715.db2.gz RCYKNHQFOKTWTH-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(OCc1ccc2ccccc2c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738234277 598901778 /nfs/dbraw/zinc/90/17/78/598901778.db2.gz ZASOUSPJEGYOTH-NRFANRHFSA-N -1 3 399.454 3.732 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736350385 598904402 /nfs/dbraw/zinc/90/44/02/598904402.db2.gz MWGSEPNTQBJTSG-LJQANCHMSA-N -1 3 399.539 3.838 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736350385 598904405 /nfs/dbraw/zinc/90/44/05/598904405.db2.gz MWGSEPNTQBJTSG-LJQANCHMSA-N -1 3 399.539 3.838 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737854702 598910900 /nfs/dbraw/zinc/91/09/00/598910900.db2.gz UQXLIPYXTHVWDA-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737854702 598910902 /nfs/dbraw/zinc/91/09/02/598910902.db2.gz UQXLIPYXTHVWDA-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000736739844 598922902 /nfs/dbraw/zinc/92/29/02/598922902.db2.gz UWNGBOZMKJSKIY-HNNXBMFYSA-N -1 3 382.855 3.541 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000736739844 598922904 /nfs/dbraw/zinc/92/29/04/598922904.db2.gz UWNGBOZMKJSKIY-HNNXBMFYSA-N -1 3 382.855 3.541 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736265891 598923125 /nfs/dbraw/zinc/92/31/25/598923125.db2.gz DWEKUAIBASRYQW-CQSZACIVSA-N -1 3 393.451 3.850 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736265891 598923126 /nfs/dbraw/zinc/92/31/26/598923126.db2.gz DWEKUAIBASRYQW-CQSZACIVSA-N -1 3 393.451 3.850 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736210875 598932701 /nfs/dbraw/zinc/93/27/01/598932701.db2.gz HTEURMHMZPOGPA-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736210875 598932702 /nfs/dbraw/zinc/93/27/02/598932702.db2.gz HTEURMHMZPOGPA-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736399840 598942494 /nfs/dbraw/zinc/94/24/94/598942494.db2.gz KPOZRPUKIMKWRX-RHSMWYFYSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736399840 598942496 /nfs/dbraw/zinc/94/24/96/598942496.db2.gz KPOZRPUKIMKWRX-RHSMWYFYSA-N -1 3 392.463 3.753 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000736713564 598961369 /nfs/dbraw/zinc/96/13/69/598961369.db2.gz PXCGIAWQORURBW-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000736713564 598961371 /nfs/dbraw/zinc/96/13/71/598961371.db2.gz PXCGIAWQORURBW-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000735906735 598965626 /nfs/dbraw/zinc/96/56/26/598965626.db2.gz VECBJMCZILHHQZ-HNNXBMFYSA-N -1 3 386.500 3.944 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000735906735 598965627 /nfs/dbraw/zinc/96/56/27/598965627.db2.gz VECBJMCZILHHQZ-HNNXBMFYSA-N -1 3 386.500 3.944 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000735857228 599002918 /nfs/dbraw/zinc/00/29/18/599002918.db2.gz PIBFVFJKHGWPPA-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Oc1ccncc1 ZINC000737315308 599003359 /nfs/dbraw/zinc/00/33/59/599003359.db2.gz MNGKOJOFXRUKGI-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Oc1ccncc1 ZINC000737315308 599003361 /nfs/dbraw/zinc/00/33/61/599003361.db2.gz MNGKOJOFXRUKGI-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736184553 599007354 /nfs/dbraw/zinc/00/73/54/599007354.db2.gz LSWGWIADESOZIM-ACJLOTCBSA-N -1 3 399.882 3.801 20 0 GHADHM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736184553 599007356 /nfs/dbraw/zinc/00/73/56/599007356.db2.gz LSWGWIADESOZIM-ACJLOTCBSA-N -1 3 399.882 3.801 20 0 GHADHM CCCc1nc(CSCCOc2ccc(-c3nnn[n-]3)cc2OC)cs1 ZINC000736495505 599009319 /nfs/dbraw/zinc/00/93/19/599009319.db2.gz MQUHHXWJKDCUGH-UHFFFAOYSA-N -1 3 391.522 3.597 20 0 GHADHM CCCc1nc(CSCCOc2ccc(-c3nn[n-]n3)cc2OC)cs1 ZINC000736495505 599009321 /nfs/dbraw/zinc/00/93/21/599009321.db2.gz MQUHHXWJKDCUGH-UHFFFAOYSA-N -1 3 391.522 3.597 20 0 GHADHM Cc1cc(C)cc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737253065 599024563 /nfs/dbraw/zinc/02/45/63/599024563.db2.gz PEUQZEGUALFYSG-UHFFFAOYSA-N -1 3 392.507 3.646 20 0 GHADHM Cc1cc(C)cc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737253065 599024565 /nfs/dbraw/zinc/02/45/65/599024565.db2.gz PEUQZEGUALFYSG-UHFFFAOYSA-N -1 3 392.507 3.646 20 0 GHADHM CC(C)Oc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000735915613 599041109 /nfs/dbraw/zinc/04/11/09/599041109.db2.gz QVFUOPAZNHULOM-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000735915613 599041112 /nfs/dbraw/zinc/04/11/12/599041112.db2.gz QVFUOPAZNHULOM-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM Cc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1OCC1CCOCC1 ZINC000737362769 599044900 /nfs/dbraw/zinc/04/49/00/599044900.db2.gz VYMUZKCAROFRRL-UHFFFAOYSA-N -1 3 383.427 3.863 20 0 GHADHM Cc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1OCC1CCOCC1 ZINC000737362769 599044903 /nfs/dbraw/zinc/04/49/03/599044903.db2.gz VYMUZKCAROFRRL-UHFFFAOYSA-N -1 3 383.427 3.863 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ncc(-c3ccccc3)o2)n1 ZINC000737636458 599045287 /nfs/dbraw/zinc/04/52/87/599045287.db2.gz SUMLSHQCSURZGM-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ncc(-c3ccccc3)o2)n1 ZINC000737636458 599045290 /nfs/dbraw/zinc/04/52/90/599045290.db2.gz SUMLSHQCSURZGM-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736196020 599046226 /nfs/dbraw/zinc/04/62/26/599046226.db2.gz IXBTZEKGTIMHRJ-QMMMGPOBSA-N -1 3 384.312 3.756 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736196020 599046229 /nfs/dbraw/zinc/04/62/29/599046229.db2.gz IXBTZEKGTIMHRJ-QMMMGPOBSA-N -1 3 384.312 3.756 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000819940300 599052525 /nfs/dbraw/zinc/05/25/25/599052525.db2.gz WDWOZDRZJKIXIP-OCCSQVGLSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000819940300 599052528 /nfs/dbraw/zinc/05/25/28/599052528.db2.gz WDWOZDRZJKIXIP-OCCSQVGLSA-N -1 3 390.463 3.501 20 0 GHADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Oc1ccccc1Cl ZINC000820274849 599064079 /nfs/dbraw/zinc/06/40/79/599064079.db2.gz KIDCLHGYXQHOPW-GFCCVEGCSA-N -1 3 380.839 3.948 20 0 GHADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Oc1ccccc1Cl ZINC000820274849 599064082 /nfs/dbraw/zinc/06/40/82/599064082.db2.gz KIDCLHGYXQHOPW-GFCCVEGCSA-N -1 3 380.839 3.948 20 0 GHADHM Fc1ccc(CN(CC2CC2)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737646932 599064103 /nfs/dbraw/zinc/06/41/03/599064103.db2.gz BCAMPMQOWMUIBI-UHFFFAOYSA-N -1 3 392.360 3.836 20 0 GHADHM Fc1ccc(CN(CC2CC2)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737646932 599064106 /nfs/dbraw/zinc/06/41/06/599064106.db2.gz BCAMPMQOWMUIBI-UHFFFAOYSA-N -1 3 392.360 3.836 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193384 599065678 /nfs/dbraw/zinc/06/56/78/599065678.db2.gz QJALRQIKJKIBRG-QWRGUYRKSA-N -1 3 389.431 3.503 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193384 599065680 /nfs/dbraw/zinc/06/56/80/599065680.db2.gz QJALRQIKJKIBRG-QWRGUYRKSA-N -1 3 389.431 3.503 20 0 GHADHM CCO[C@@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC000736613204 599067945 /nfs/dbraw/zinc/06/79/45/599067945.db2.gz RPDWNFSQSLBOHG-IAGOWNOFSA-N -1 3 396.520 3.791 20 0 GHADHM CCO[C@@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC000736613204 599067948 /nfs/dbraw/zinc/06/79/48/599067948.db2.gz RPDWNFSQSLBOHG-IAGOWNOFSA-N -1 3 396.520 3.791 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000735561794 599070250 /nfs/dbraw/zinc/07/02/50/599070250.db2.gz LYQINMSRNOWBQQ-CQSZACIVSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000735561794 599070253 /nfs/dbraw/zinc/07/02/53/599070253.db2.gz LYQINMSRNOWBQQ-CQSZACIVSA-N -1 3 389.415 3.781 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)s1 ZINC000736679456 599071439 /nfs/dbraw/zinc/07/14/39/599071439.db2.gz UMKOTTCJWSVSAR-PWSUYJOCSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)s1 ZINC000736679456 599071442 /nfs/dbraw/zinc/07/14/42/599071442.db2.gz UMKOTTCJWSVSAR-PWSUYJOCSA-N -1 3 375.404 3.511 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000821347473 599072424 /nfs/dbraw/zinc/07/24/24/599072424.db2.gz VODOOYVLOYCUAS-GFCCVEGCSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000821347473 599072430 /nfs/dbraw/zinc/07/24/30/599072430.db2.gz VODOOYVLOYCUAS-GFCCVEGCSA-N -1 3 395.492 3.605 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736361066 599076911 /nfs/dbraw/zinc/07/69/11/599076911.db2.gz DUPWUCCDPFGBGM-SFHVURJKSA-N -1 3 395.532 3.831 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736361066 599076914 /nfs/dbraw/zinc/07/69/14/599076914.db2.gz DUPWUCCDPFGBGM-SFHVURJKSA-N -1 3 395.532 3.831 20 0 GHADHM CC(C)C[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000735780499 599079618 /nfs/dbraw/zinc/07/96/18/599079618.db2.gz BIFJSCGGTMNCOG-GOSISDBHSA-N -1 3 399.882 3.803 20 0 GHADHM CC(C)C[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000735780499 599079621 /nfs/dbraw/zinc/07/96/21/599079621.db2.gz BIFJSCGGTMNCOG-GOSISDBHSA-N -1 3 399.882 3.803 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280979 599080066 /nfs/dbraw/zinc/08/00/66/599080066.db2.gz QLPMIKMPVNBKBQ-SNVBAGLBSA-N -1 3 380.399 3.873 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280979 599080069 /nfs/dbraw/zinc/08/00/69/599080069.db2.gz QLPMIKMPVNBKBQ-SNVBAGLBSA-N -1 3 380.399 3.873 20 0 GHADHM Cc1ccc(-c2cnc(CSc3nc(C)nc(C)c3-c3nnn[n-]3)o2)cc1 ZINC000822213904 599125581 /nfs/dbraw/zinc/12/55/81/599125581.db2.gz GNJYYQRLPDRZME-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM COc1ccccc1[C@@H](C)SCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821702246 599127703 /nfs/dbraw/zinc/12/77/03/599127703.db2.gz NBKDIHGQQRTQST-CYBMUJFWSA-N -1 3 386.477 3.757 20 0 GHADHM COc1ccccc1[C@@H](C)SCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821702246 599127705 /nfs/dbraw/zinc/12/77/05/599127705.db2.gz NBKDIHGQQRTQST-CYBMUJFWSA-N -1 3 386.477 3.757 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418888 599140256 /nfs/dbraw/zinc/14/02/56/599140256.db2.gz ICNRGQSPHCEZNJ-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418888 599140257 /nfs/dbraw/zinc/14/02/57/599140257.db2.gz ICNRGQSPHCEZNJ-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sc(C2CCCC2)nc1C ZINC000821765655 599148465 /nfs/dbraw/zinc/14/84/65/599148465.db2.gz IRYYOAPWFZPCFD-UHFFFAOYSA-N -1 3 384.465 3.550 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C2CCCC2)nc1C ZINC000821765655 599148468 /nfs/dbraw/zinc/14/84/68/599148468.db2.gz IRYYOAPWFZPCFD-UHFFFAOYSA-N -1 3 384.465 3.550 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000819868007 599150462 /nfs/dbraw/zinc/15/04/62/599150462.db2.gz XHZZNBZKEXNWLB-ZETCQYMHSA-N -1 3 396.245 3.572 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000819868007 599150464 /nfs/dbraw/zinc/15/04/64/599150464.db2.gz XHZZNBZKEXNWLB-ZETCQYMHSA-N -1 3 396.245 3.572 20 0 GHADHM Clc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000737572661 599159913 /nfs/dbraw/zinc/15/99/13/599159913.db2.gz ALEFXJKQQVMIJJ-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000737572661 599159915 /nfs/dbraw/zinc/15/99/15/599159915.db2.gz ALEFXJKQQVMIJJ-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC(C)Cn1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC000820108572 599163691 /nfs/dbraw/zinc/16/36/91/599163691.db2.gz NLMHPLREFSLTKX-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM CC(C)Cn1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC000820108572 599163693 /nfs/dbraw/zinc/16/36/93/599163693.db2.gz NLMHPLREFSLTKX-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM Cc1cc(=O)oc2cc(OCCSc3ccc(-c4nnn[n-]4)cc3F)ccc12 ZINC000737229906 599166827 /nfs/dbraw/zinc/16/68/27/599166827.db2.gz AFYNCFGZBDMEAP-UHFFFAOYSA-N -1 3 398.419 3.592 20 0 GHADHM Cc1cc(=O)oc2cc(OCCSc3ccc(-c4nn[n-]n4)cc3F)ccc12 ZINC000737229906 599166829 /nfs/dbraw/zinc/16/68/29/599166829.db2.gz AFYNCFGZBDMEAP-UHFFFAOYSA-N -1 3 398.419 3.592 20 0 GHADHM c1ccc(CCCSCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000738429337 599168681 /nfs/dbraw/zinc/16/86/81/599168681.db2.gz XPVCQHCKIBZXAP-UHFFFAOYSA-N -1 3 378.461 3.783 20 0 GHADHM c1ccc(CCCSCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000738429337 599168682 /nfs/dbraw/zinc/16/86/82/599168682.db2.gz XPVCQHCKIBZXAP-UHFFFAOYSA-N -1 3 378.461 3.783 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000736099640 599170401 /nfs/dbraw/zinc/17/04/01/599170401.db2.gz JWLWJAQEXYHAQW-FZKQIMNGSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000736099640 599170403 /nfs/dbraw/zinc/17/04/03/599170403.db2.gz JWLWJAQEXYHAQW-FZKQIMNGSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192420 599178374 /nfs/dbraw/zinc/17/83/74/599178374.db2.gz NDQRTVULSUNNDP-QZTJIDSGSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192420 599178377 /nfs/dbraw/zinc/17/83/77/599178377.db2.gz NDQRTVULSUNNDP-QZTJIDSGSA-N -1 3 379.439 3.549 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100564 599181745 /nfs/dbraw/zinc/18/17/45/599181745.db2.gz KDFUUSHTTATRIQ-HZPDHXFCSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100564 599181748 /nfs/dbraw/zinc/18/17/48/599181748.db2.gz KDFUUSHTTATRIQ-HZPDHXFCSA-N -1 3 388.258 3.593 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Br)ccc2C)s1 ZINC000736679661 599184877 /nfs/dbraw/zinc/18/48/77/599184877.db2.gz ZDCLVGBIUXYEFM-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Br)ccc2C)s1 ZINC000736679661 599184878 /nfs/dbraw/zinc/18/48/78/599184878.db2.gz ZDCLVGBIUXYEFM-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM O=C([C@@H]1Cc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737792310 599185280 /nfs/dbraw/zinc/18/52/80/599185280.db2.gz NPAVURUGEGJJPC-HXUWFJFHSA-N -1 3 381.439 3.740 20 0 GHADHM O=C([C@@H]1Cc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737792310 599185282 /nfs/dbraw/zinc/18/52/82/599185282.db2.gz NPAVURUGEGJJPC-HXUWFJFHSA-N -1 3 381.439 3.740 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000738152047 599188563 /nfs/dbraw/zinc/18/85/63/599188563.db2.gz QGOJOUUDHQRFKH-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000738152047 599188565 /nfs/dbraw/zinc/18/85/65/599188565.db2.gz QGOJOUUDHQRFKH-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1CCCCC1 ZINC000738279885 599197977 /nfs/dbraw/zinc/19/79/77/599197977.db2.gz XJEZHPHAKLCZNW-UHFFFAOYSA-N -1 3 383.839 3.939 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000820543038 599201225 /nfs/dbraw/zinc/20/12/25/599201225.db2.gz SXPNBECFCFVDEM-INIZCTEOSA-N -1 3 383.496 3.597 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000820543038 599201227 /nfs/dbraw/zinc/20/12/27/599201227.db2.gz SXPNBECFCFVDEM-INIZCTEOSA-N -1 3 383.496 3.597 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735748084 599225787 /nfs/dbraw/zinc/22/57/87/599225787.db2.gz HJNLDSWTKVVIGI-SFHVURJKSA-N -1 3 395.463 3.689 20 0 GHADHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc2ccccc21 ZINC000821159881 607262810 /nfs/dbraw/zinc/26/28/10/607262810.db2.gz CKRAJNQUOUHWQQ-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc2ccccc21 ZINC000821159881 607262811 /nfs/dbraw/zinc/26/28/11/607262811.db2.gz CKRAJNQUOUHWQQ-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)CNc1c(C)cccc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504283 599238639 /nfs/dbraw/zinc/23/86/39/599238639.db2.gz CSDYCTOCOMFYPY-INIZCTEOSA-N -1 3 378.480 3.505 20 0 GHADHM CCN(C(=O)CNc1c(C)cccc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504283 599238641 /nfs/dbraw/zinc/23/86/41/599238641.db2.gz CSDYCTOCOMFYPY-INIZCTEOSA-N -1 3 378.480 3.505 20 0 GHADHM Cc1c(NC(=O)CSc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822077755 607270008 /nfs/dbraw/zinc/27/00/08/607270008.db2.gz XBVYSPIBUMDZKS-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1c(NC(=O)CSc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822077755 607270009 /nfs/dbraw/zinc/27/00/09/607270009.db2.gz XBVYSPIBUMDZKS-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1c(NC(=O)CCc2ccccc2OC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822067065 607270489 /nfs/dbraw/zinc/27/04/89/607270489.db2.gz HYWNXHQCTQNTOY-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM Cc1c(NC(=O)CCc2ccccc2OC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822067065 607270490 /nfs/dbraw/zinc/27/04/90/607270490.db2.gz HYWNXHQCTQNTOY-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM CCOc1ccc(OCC)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821427557 599249484 /nfs/dbraw/zinc/24/94/84/599249484.db2.gz VGJVNXZFSPRQBW-CYBMUJFWSA-N -1 3 396.451 3.547 20 0 GHADHM CCOc1ccc(OCC)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821427557 599249487 /nfs/dbraw/zinc/24/94/87/599249487.db2.gz VGJVNXZFSPRQBW-CYBMUJFWSA-N -1 3 396.451 3.547 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822234760 607283567 /nfs/dbraw/zinc/28/35/67/607283567.db2.gz GRHLWKFGXYZZTD-KRWDZBQOSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822234760 607283568 /nfs/dbraw/zinc/28/35/68/607283568.db2.gz GRHLWKFGXYZZTD-KRWDZBQOSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822234761 607283579 /nfs/dbraw/zinc/28/35/79/607283579.db2.gz GRHLWKFGXYZZTD-QGZVFWFLSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822234761 607283580 /nfs/dbraw/zinc/28/35/80/607283580.db2.gz GRHLWKFGXYZZTD-QGZVFWFLSA-N -1 3 376.464 3.723 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CCC2 ZINC000821508869 607293016 /nfs/dbraw/zinc/29/30/16/607293016.db2.gz BWZQRQYEHGZJCP-OAHLLOKOSA-N -1 3 397.508 3.735 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CCC2 ZINC000821508869 607293017 /nfs/dbraw/zinc/29/30/17/607293017.db2.gz BWZQRQYEHGZJCP-OAHLLOKOSA-N -1 3 397.508 3.735 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823246448 607297772 /nfs/dbraw/zinc/29/77/72/607297772.db2.gz PPQIQRSGSYDTLP-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823246448 607297773 /nfs/dbraw/zinc/29/77/73/607297773.db2.gz PPQIQRSGSYDTLP-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM CC(C)OCc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820146016 599266467 /nfs/dbraw/zinc/26/64/67/599266467.db2.gz IMVPWFOUSJCHDY-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM CC(C)OCc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820146016 599266468 /nfs/dbraw/zinc/26/64/68/599266468.db2.gz IMVPWFOUSJCHDY-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM CCOc1ccc(Br)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821417802 607313958 /nfs/dbraw/zinc/31/39/58/607313958.db2.gz RZRGIZAUVBIIKG-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM Clc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1N1CCSCC1 ZINC000822568030 607315315 /nfs/dbraw/zinc/31/53/15/607315315.db2.gz KNZXIOJHGLZXQJ-UHFFFAOYSA-N -1 3 392.941 3.747 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000821762252 599274435 /nfs/dbraw/zinc/27/44/35/599274435.db2.gz IWPMSJRYXXZMFZ-UHFFFAOYSA-N -1 3 398.854 3.596 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000821762252 599274437 /nfs/dbraw/zinc/27/44/37/599274437.db2.gz IWPMSJRYXXZMFZ-UHFFFAOYSA-N -1 3 398.854 3.596 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821763046 599275674 /nfs/dbraw/zinc/27/56/74/599275674.db2.gz UCYCWZKZOYPYJQ-MRXNPFEDSA-N -1 3 378.436 3.538 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821763046 599275675 /nfs/dbraw/zinc/27/56/75/599275675.db2.gz UCYCWZKZOYPYJQ-MRXNPFEDSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736187768 599275744 /nfs/dbraw/zinc/27/57/44/599275744.db2.gz IPUCELBWKANANV-AWEZNQCLSA-N -1 3 392.463 3.627 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736187768 599275746 /nfs/dbraw/zinc/27/57/46/599275746.db2.gz IPUCELBWKANANV-AWEZNQCLSA-N -1 3 392.463 3.627 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(OCC(F)(F)F)c1 ZINC000823318363 607319823 /nfs/dbraw/zinc/31/98/23/607319823.db2.gz DEHMINXLABZKBW-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(OCC(F)(F)F)c1 ZINC000823318363 607319824 /nfs/dbraw/zinc/31/98/24/607319824.db2.gz DEHMINXLABZKBW-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(OCC)cc1 ZINC000736487904 599277555 /nfs/dbraw/zinc/27/75/55/599277555.db2.gz JSTLDBURACFKSK-UHFFFAOYSA-N -1 3 394.479 3.659 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1ccccc1C ZINC000736487102 599279014 /nfs/dbraw/zinc/27/90/14/599279014.db2.gz CKRXZDDQGHALKJ-UHFFFAOYSA-N -1 3 394.479 3.795 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc(-c5nnn[n-]5)cc4)c3)C[C@@H]21 ZINC000820586086 599281462 /nfs/dbraw/zinc/28/14/62/599281462.db2.gz UFFHDVTWRAWELF-HDICACEKSA-N -1 3 390.447 3.779 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)C[C@@H]21 ZINC000820586086 599281465 /nfs/dbraw/zinc/28/14/65/599281465.db2.gz UFFHDVTWRAWELF-HDICACEKSA-N -1 3 390.447 3.779 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380646 599285850 /nfs/dbraw/zinc/28/58/50/599285850.db2.gz XUZVFMMXFAWBAH-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380646 599285853 /nfs/dbraw/zinc/28/58/53/599285853.db2.gz XUZVFMMXFAWBAH-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM CN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821614458 599286442 /nfs/dbraw/zinc/28/64/42/599286442.db2.gz HFHZWYWISCIMLT-UHFFFAOYSA-N -1 3 376.342 3.549 20 0 GHADHM CN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821614458 599286446 /nfs/dbraw/zinc/28/64/46/599286446.db2.gz HFHZWYWISCIMLT-UHFFFAOYSA-N -1 3 376.342 3.549 20 0 GHADHM CCn1c(=O)c2sccc2nc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736713681 599290081 /nfs/dbraw/zinc/29/00/81/599290081.db2.gz LCNJYVNWEJMDFD-JTQLQIEISA-N -1 3 384.490 3.511 20 0 GHADHM CCn1c(=O)c2sccc2nc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736713681 599290084 /nfs/dbraw/zinc/29/00/84/599290084.db2.gz LCNJYVNWEJMDFD-JTQLQIEISA-N -1 3 384.490 3.511 20 0 GHADHM CCCCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000736459692 599291358 /nfs/dbraw/zinc/29/13/58/599291358.db2.gz GXNAVKINFZSYCO-UHFFFAOYSA-N -1 3 397.454 3.664 20 0 GHADHM CCCCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000736459692 599291359 /nfs/dbraw/zinc/29/13/59/599291359.db2.gz GXNAVKINFZSYCO-UHFFFAOYSA-N -1 3 397.454 3.664 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cn2ccccc2n1 ZINC000738183003 598231272 /nfs/dbraw/zinc/23/12/72/598231272.db2.gz HCABTXWPPKKQBA-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(c1cccc2ccccc21)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738277358 598237277 /nfs/dbraw/zinc/23/72/77/598237277.db2.gz CESYAAQLKXCXSK-UHFFFAOYSA-N -1 3 399.454 3.704 20 0 GHADHM O=C(c1cccc2ccccc21)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738277358 598237278 /nfs/dbraw/zinc/23/72/78/598237278.db2.gz CESYAAQLKXCXSK-UHFFFAOYSA-N -1 3 399.454 3.704 20 0 GHADHM Fc1cccc(Oc2ncccc2CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737664742 598238944 /nfs/dbraw/zinc/23/89/44/598238944.db2.gz NPBYQVLERVPHPC-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737636481 598245641 /nfs/dbraw/zinc/24/56/41/598245641.db2.gz UKDUNGJBWUBHHA-BLLLJJGKSA-N -1 3 386.381 3.737 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737636481 598245642 /nfs/dbraw/zinc/24/56/42/598245642.db2.gz UKDUNGJBWUBHHA-BLLLJJGKSA-N -1 3 386.381 3.737 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736196002 598250364 /nfs/dbraw/zinc/25/03/64/598250364.db2.gz IQWWVEWIBFLNEN-ZDUSSCGKSA-N -1 3 385.418 3.749 20 0 GHADHM Cc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000737398691 598264512 /nfs/dbraw/zinc/26/45/12/598264512.db2.gz DOWNAXXYVCQPKP-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000737398691 598264513 /nfs/dbraw/zinc/26/45/13/598264513.db2.gz DOWNAXXYVCQPKP-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000737357375 598264578 /nfs/dbraw/zinc/26/45/78/598264578.db2.gz PMVKYJVNFCIIBW-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000737357375 598264579 /nfs/dbraw/zinc/26/45/79/598264579.db2.gz PMVKYJVNFCIIBW-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000736025719 598296600 /nfs/dbraw/zinc/29/66/00/598296600.db2.gz JIWQHMHVBZFDIG-JTQLQIEISA-N -1 3 376.247 3.707 20 0 GHADHM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000736025719 598296602 /nfs/dbraw/zinc/29/66/02/598296602.db2.gz JIWQHMHVBZFDIG-JTQLQIEISA-N -1 3 376.247 3.707 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCCCCC1 ZINC000738209002 598296931 /nfs/dbraw/zinc/29/69/31/598296931.db2.gz QISAKVXKUVZARN-UHFFFAOYSA-N -1 3 382.493 3.823 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCCCCC1 ZINC000738209002 598296933 /nfs/dbraw/zinc/29/69/33/598296933.db2.gz QISAKVXKUVZARN-UHFFFAOYSA-N -1 3 382.493 3.823 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736327478 598297460 /nfs/dbraw/zinc/29/74/60/598297460.db2.gz LIGUQCDXGWTXLL-GAJOTYCWSA-N -1 3 393.447 3.705 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736327478 598297462 /nfs/dbraw/zinc/29/74/62/598297462.db2.gz LIGUQCDXGWTXLL-GAJOTYCWSA-N -1 3 393.447 3.705 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000737963048 598297811 /nfs/dbraw/zinc/29/78/11/598297811.db2.gz QWLJDFZKKXFLLS-UHFFFAOYSA-N -1 3 397.307 3.702 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000737963048 598297813 /nfs/dbraw/zinc/29/78/13/598297813.db2.gz QWLJDFZKKXFLLS-UHFFFAOYSA-N -1 3 397.307 3.702 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccc(F)cc2)CCCCC1 ZINC000738101305 598299939 /nfs/dbraw/zinc/29/99/39/598299939.db2.gz XVKUFKNKJZYBQP-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccc(F)cc2)CCCCC1 ZINC000738101305 598299941 /nfs/dbraw/zinc/29/99/41/598299941.db2.gz XVKUFKNKJZYBQP-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1C(C)C ZINC000737278461 598308281 /nfs/dbraw/zinc/30/82/81/598308281.db2.gz JADLSPJQHSOPQR-AWEZNQCLSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1C(C)C ZINC000737278461 598308282 /nfs/dbraw/zinc/30/82/82/598308282.db2.gz JADLSPJQHSOPQR-AWEZNQCLSA-N -1 3 397.454 3.868 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(NCc4ccc(-c5nnn[n-]5)cc4F)c23)C1 ZINC000736280242 598309764 /nfs/dbraw/zinc/30/97/64/598309764.db2.gz PFSPISCDKOVTMJ-JTQLQIEISA-N -1 3 395.467 3.747 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(NCc4ccc(-c5nn[n-]n5)cc4F)c23)C1 ZINC000736280242 598309765 /nfs/dbraw/zinc/30/97/65/598309765.db2.gz PFSPISCDKOVTMJ-JTQLQIEISA-N -1 3 395.467 3.747 20 0 GHADHM Fc1ccc(-c2nc(CNCc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000737648888 598315453 /nfs/dbraw/zinc/31/54/53/598315453.db2.gz CGPMVZXVEBRWMJ-UHFFFAOYSA-N -1 3 384.415 3.558 20 0 GHADHM Fc1ccc(-c2nc(CNCc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000737648888 598315454 /nfs/dbraw/zinc/31/54/54/598315454.db2.gz CGPMVZXVEBRWMJ-UHFFFAOYSA-N -1 3 384.415 3.558 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000738098793 598319669 /nfs/dbraw/zinc/31/96/69/598319669.db2.gz CZSGTGDVVWPYPB-MJGOQNOKSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000738098793 598319671 /nfs/dbraw/zinc/31/96/71/598319671.db2.gz CZSGTGDVVWPYPB-MJGOQNOKSA-N -1 3 394.454 3.531 20 0 GHADHM S=C(Nc1cnn(-c2ccccc2)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738410505 598324867 /nfs/dbraw/zinc/32/48/67/598324867.db2.gz ZOHXWJTVMDOZAV-UHFFFAOYSA-N -1 3 396.867 3.515 20 0 GHADHM S=C(Nc1cnn(-c2ccccc2)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738410505 598324868 /nfs/dbraw/zinc/32/48/68/598324868.db2.gz ZOHXWJTVMDOZAV-UHFFFAOYSA-N -1 3 396.867 3.515 20 0 GHADHM Brc1cccc2c(NCc3ccc(-c4nn[n-]n4)cc3)ccnc12 ZINC000735368170 598345149 /nfs/dbraw/zinc/34/51/49/598345149.db2.gz GXVFYVDJXTXEMV-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000737246976 598355345 /nfs/dbraw/zinc/35/53/45/598355345.db2.gz WTHHZLYWVASMSX-KBPBESRZSA-N -1 3 385.269 3.609 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000737246976 598355347 /nfs/dbraw/zinc/35/53/47/598355347.db2.gz WTHHZLYWVASMSX-KBPBESRZSA-N -1 3 385.269 3.609 20 0 GHADHM c1c(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nnn1-c1ccccc1 ZINC000738426618 598364005 /nfs/dbraw/zinc/36/40/05/598364005.db2.gz SQFSCNHYBPXBBJ-UHFFFAOYSA-N -1 3 395.426 3.693 20 0 GHADHM c1c(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nnn1-c1ccccc1 ZINC000738426618 598364007 /nfs/dbraw/zinc/36/40/07/598364007.db2.gz SQFSCNHYBPXBBJ-UHFFFAOYSA-N -1 3 395.426 3.693 20 0 GHADHM Cc1cccc(CC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000737392143 598365269 /nfs/dbraw/zinc/36/52/69/598365269.db2.gz PDBWADUMGVAWDZ-UHFFFAOYSA-N -1 3 383.455 3.951 20 0 GHADHM Cc1cccc(CC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000737392143 598365271 /nfs/dbraw/zinc/36/52/71/598365271.db2.gz PDBWADUMGVAWDZ-UHFFFAOYSA-N -1 3 383.455 3.951 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1(C)CCOCC1 ZINC000737279307 598365527 /nfs/dbraw/zinc/36/55/27/598365527.db2.gz JDIDPYGWPNXZAC-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1(C)CCOCC1 ZINC000737279307 598365530 /nfs/dbraw/zinc/36/55/30/598365530.db2.gz JDIDPYGWPNXZAC-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM c1ccc(-c2noc([C@H]3CCCCN3Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738424684 598374864 /nfs/dbraw/zinc/37/48/64/598374864.db2.gz IUQHYKQYMVFENF-GOSISDBHSA-N -1 3 387.447 3.644 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(-c3nnn[n-]3)cn1C(C)(C)C)CC2 ZINC000737372251 598391494 /nfs/dbraw/zinc/39/14/94/598391494.db2.gz WHZFQPZYCKQNAA-INIZCTEOSA-N -1 3 379.468 3.541 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(-c3nn[n-]n3)cn1C(C)(C)C)CC2 ZINC000737372251 598391496 /nfs/dbraw/zinc/39/14/96/598391496.db2.gz WHZFQPZYCKQNAA-INIZCTEOSA-N -1 3 379.468 3.541 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738251822 598420087 /nfs/dbraw/zinc/42/00/87/598420087.db2.gz SEBZVJVBLTTYDF-ZIAGYGMSSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738251822 598420088 /nfs/dbraw/zinc/42/00/88/598420088.db2.gz SEBZVJVBLTTYDF-ZIAGYGMSSA-N -1 3 375.215 3.883 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccccc1 ZINC000737194334 598422434 /nfs/dbraw/zinc/42/24/34/598422434.db2.gz IGSYDRVZUZKSAC-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccccc1 ZINC000737194334 598422436 /nfs/dbraw/zinc/42/24/36/598422436.db2.gz IGSYDRVZUZKSAC-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(C)c1 ZINC000737104503 598428610 /nfs/dbraw/zinc/42/86/10/598428610.db2.gz QJTWMHYBGJDISN-UHFFFAOYSA-N -1 3 394.479 3.874 20 0 GHADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c(C)c1 ZINC000737104503 598428612 /nfs/dbraw/zinc/42/86/12/598428612.db2.gz QJTWMHYBGJDISN-UHFFFAOYSA-N -1 3 394.479 3.874 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736111134 598433076 /nfs/dbraw/zinc/43/30/76/598433076.db2.gz KTMDKEFKCOOALD-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736111134 598433077 /nfs/dbraw/zinc/43/30/77/598433077.db2.gz KTMDKEFKCOOALD-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736451450 598438473 /nfs/dbraw/zinc/43/84/73/598438473.db2.gz NHENKORATGXIME-UHFFFAOYSA-N -1 3 384.871 3.748 20 0 GHADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736451450 598438475 /nfs/dbraw/zinc/43/84/75/598438475.db2.gz NHENKORATGXIME-UHFFFAOYSA-N -1 3 384.871 3.748 20 0 GHADHM Cc1ccc(-c2nnc(SCCOc3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000737290974 598439901 /nfs/dbraw/zinc/43/99/01/598439901.db2.gz ZLMFPIXIYICWIP-UHFFFAOYSA-N -1 3 394.460 3.705 20 0 GHADHM S=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000738401242 598441544 /nfs/dbraw/zinc/44/15/44/598441544.db2.gz QOIFQVXGCAVTBG-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM S=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000738401242 598441545 /nfs/dbraw/zinc/44/15/45/598441545.db2.gz QOIFQVXGCAVTBG-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccccc1OC(F)(F)F ZINC000737292082 598444691 /nfs/dbraw/zinc/44/46/91/598444691.db2.gz RKZMIMZCVIUHTP-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccccc1OC(F)(F)F ZINC000737292082 598444693 /nfs/dbraw/zinc/44/46/93/598444693.db2.gz RKZMIMZCVIUHTP-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(OC(=O)c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737361182 598445744 /nfs/dbraw/zinc/44/57/44/598445744.db2.gz WDDRHFHTOXDNHH-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(OC(=O)c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000737361182 598445745 /nfs/dbraw/zinc/44/57/45/598445745.db2.gz WDDRHFHTOXDNHH-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112976 598469526 /nfs/dbraw/zinc/46/95/26/598469526.db2.gz LLFRRZBTSQIRCO-APWZRJJASA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112976 598469528 /nfs/dbraw/zinc/46/95/28/598469528.db2.gz LLFRRZBTSQIRCO-APWZRJJASA-N -1 3 390.491 3.907 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000737032463 598470045 /nfs/dbraw/zinc/47/00/45/598470045.db2.gz MJEVSXOZKGWEGR-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000737032463 598470047 /nfs/dbraw/zinc/47/00/47/598470047.db2.gz MJEVSXOZKGWEGR-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CSc1ccc2ccccc2c1 ZINC000737023496 598473256 /nfs/dbraw/zinc/47/32/56/598473256.db2.gz HFQBVYCJURSWGK-UHFFFAOYSA-N -1 3 392.440 3.726 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CSc1ccc2ccccc2c1 ZINC000737023496 598473258 /nfs/dbraw/zinc/47/32/58/598473258.db2.gz HFQBVYCJURSWGK-UHFFFAOYSA-N -1 3 392.440 3.726 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000737417087 598473341 /nfs/dbraw/zinc/47/33/41/598473341.db2.gz FTXCRRYAIAGLRR-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000737417087 598473342 /nfs/dbraw/zinc/47/33/42/598473342.db2.gz FTXCRRYAIAGLRR-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(N[C@@H](c1cccs1)C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737999449 598478904 /nfs/dbraw/zinc/47/89/04/598478904.db2.gz ACYAFWUOSAHPGM-GOSISDBHSA-N -1 3 394.504 3.754 20 0 GHADHM O=C(N[C@@H](c1cccs1)C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737999449 598478906 /nfs/dbraw/zinc/47/89/06/598478906.db2.gz ACYAFWUOSAHPGM-GOSISDBHSA-N -1 3 394.504 3.754 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735499244 598483665 /nfs/dbraw/zinc/48/36/65/598483665.db2.gz MXVJBAXFCLYSET-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735499244 598483667 /nfs/dbraw/zinc/48/36/67/598483667.db2.gz MXVJBAXFCLYSET-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736156048 598486198 /nfs/dbraw/zinc/48/61/98/598486198.db2.gz SFFRIINUVBKKDB-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736156048 598486200 /nfs/dbraw/zinc/48/62/00/598486200.db2.gz SFFRIINUVBKKDB-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737824646 598493459 /nfs/dbraw/zinc/49/34/59/598493459.db2.gz YOEKFDTVGHQIHJ-LJQANCHMSA-N -1 3 387.487 3.868 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737824646 598493461 /nfs/dbraw/zinc/49/34/61/598493461.db2.gz YOEKFDTVGHQIHJ-LJQANCHMSA-N -1 3 387.487 3.868 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737795554 598495205 /nfs/dbraw/zinc/49/52/05/598495205.db2.gz AKJYJLSEHCLHBN-VAWYXSNFSA-N -1 3 389.459 3.518 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737795554 598495206 /nfs/dbraw/zinc/49/52/06/598495206.db2.gz AKJYJLSEHCLHBN-VAWYXSNFSA-N -1 3 389.459 3.518 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737795552 598495353 /nfs/dbraw/zinc/49/53/53/598495353.db2.gz AKJYJLSEHCLHBN-QXMHVHEDSA-N -1 3 389.459 3.518 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737795552 598495355 /nfs/dbraw/zinc/49/53/55/598495355.db2.gz AKJYJLSEHCLHBN-QXMHVHEDSA-N -1 3 389.459 3.518 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738261407 598495507 /nfs/dbraw/zinc/49/55/07/598495507.db2.gz NAGOJNIHIOCOCP-NRFANRHFSA-N -1 3 381.439 3.655 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738261407 598495508 /nfs/dbraw/zinc/49/55/08/598495508.db2.gz NAGOJNIHIOCOCP-NRFANRHFSA-N -1 3 381.439 3.655 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737474913 598496720 /nfs/dbraw/zinc/49/67/20/598496720.db2.gz SVFBRXNPABIFTD-UHFFFAOYSA-N -1 3 376.511 3.761 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737474913 598496723 /nfs/dbraw/zinc/49/67/23/598496723.db2.gz SVFBRXNPABIFTD-UHFFFAOYSA-N -1 3 376.511 3.761 20 0 GHADHM Clc1ccc(CN2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)s1 ZINC000737578167 598507123 /nfs/dbraw/zinc/50/71/23/598507123.db2.gz YUBPGYAHHHUBBU-UHFFFAOYSA-N -1 3 395.319 3.557 20 0 GHADHM Clc1ccc(CN2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)s1 ZINC000737578167 598507125 /nfs/dbraw/zinc/50/71/25/598507125.db2.gz YUBPGYAHHHUBBU-UHFFFAOYSA-N -1 3 395.319 3.557 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC000736674312 598515853 /nfs/dbraw/zinc/51/58/53/598515853.db2.gz BPWQXNVCYQRPBT-UHFFFAOYSA-N -1 3 399.524 3.880 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC000736674312 598515855 /nfs/dbraw/zinc/51/58/55/598515855.db2.gz BPWQXNVCYQRPBT-UHFFFAOYSA-N -1 3 399.524 3.880 20 0 GHADHM Brc1cccc2c1CC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735369880 598521978 /nfs/dbraw/zinc/52/19/78/598521978.db2.gz ZRUZXJLVKCKEBW-MRXNPFEDSA-N -1 3 397.280 3.612 20 0 GHADHM Brc1cccc2c1CC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735369880 598521980 /nfs/dbraw/zinc/52/19/80/598521980.db2.gz ZRUZXJLVKCKEBW-MRXNPFEDSA-N -1 3 397.280 3.612 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000737359409 598537779 /nfs/dbraw/zinc/53/77/79/598537779.db2.gz DRGFAAYRXSLWII-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccccc1OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737437605 598538225 /nfs/dbraw/zinc/53/82/25/598538225.db2.gz XMEKSECJAKQSCN-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738165278 598539514 /nfs/dbraw/zinc/53/95/14/598539514.db2.gz IKNZVCFYABRAOM-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000737324022 598539717 /nfs/dbraw/zinc/53/97/17/598539717.db2.gz YFEMEOXQEKSQAU-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000737324022 598539719 /nfs/dbraw/zinc/53/97/19/598539719.db2.gz YFEMEOXQEKSQAU-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM CC(C)(CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000735664192 598544564 /nfs/dbraw/zinc/54/45/64/598544564.db2.gz GYCCOSNXOZLLLS-UHFFFAOYSA-N -1 3 387.390 3.775 20 0 GHADHM CC(C)(CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000735664192 598544566 /nfs/dbraw/zinc/54/45/66/598544566.db2.gz GYCCOSNXOZLLLS-UHFFFAOYSA-N -1 3 387.390 3.775 20 0 GHADHM CC(C)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735665163 598547502 /nfs/dbraw/zinc/54/75/02/598547502.db2.gz DYEXQFMJJJWOKU-UHFFFAOYSA-N -1 3 383.883 3.547 20 0 GHADHM CC(C)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735665163 598547504 /nfs/dbraw/zinc/54/75/04/598547504.db2.gz DYEXQFMJJJWOKU-UHFFFAOYSA-N -1 3 383.883 3.547 20 0 GHADHM CSC[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737178779 598553375 /nfs/dbraw/zinc/55/33/75/598553375.db2.gz DDTFOBFZHWTJMK-CQSZACIVSA-N -1 3 399.495 3.534 20 0 GHADHM CSC[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737178779 598553377 /nfs/dbraw/zinc/55/33/77/598553377.db2.gz DDTFOBFZHWTJMK-CQSZACIVSA-N -1 3 399.495 3.534 20 0 GHADHM CCCCC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736441562 598555770 /nfs/dbraw/zinc/55/57/70/598555770.db2.gz SJTZUYNNNSCMPP-LJQANCHMSA-N -1 3 378.480 3.988 20 0 GHADHM CCCCC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736441562 598555772 /nfs/dbraw/zinc/55/57/72/598555772.db2.gz SJTZUYNNNSCMPP-LJQANCHMSA-N -1 3 378.480 3.988 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccnc1Cl ZINC000738174326 598556141 /nfs/dbraw/zinc/55/61/41/598556141.db2.gz XBLUVMDEPBQIGN-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccnc1Cl ZINC000738174326 598556143 /nfs/dbraw/zinc/55/61/43/598556143.db2.gz XBLUVMDEPBQIGN-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccc2[nH]ncc21 ZINC000738174367 598557767 /nfs/dbraw/zinc/55/77/67/598557767.db2.gz YIGVWHQIHHXDPB-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccc2[nH]ncc21 ZINC000738174367 598557769 /nfs/dbraw/zinc/55/77/69/598557769.db2.gz YIGVWHQIHHXDPB-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CCCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736472091 598558696 /nfs/dbraw/zinc/55/86/96/598558696.db2.gz ODMCCFRPGVTURV-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CCCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736472091 598558697 /nfs/dbraw/zinc/55/86/97/598558697.db2.gz ODMCCFRPGVTURV-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1F ZINC000736625500 598560618 /nfs/dbraw/zinc/56/06/18/598560618.db2.gz AKBSYSIGMXVAJF-UHFFFAOYSA-N -1 3 397.193 3.931 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1F ZINC000736625500 598560619 /nfs/dbraw/zinc/56/06/19/598560619.db2.gz AKBSYSIGMXVAJF-UHFFFAOYSA-N -1 3 397.193 3.931 20 0 GHADHM CC(C)(C)OCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735639860 598564767 /nfs/dbraw/zinc/56/47/67/598564767.db2.gz QXJSKCZLAFKPFD-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC(C)(C)OCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735639860 598564768 /nfs/dbraw/zinc/56/47/68/598564768.db2.gz QXJSKCZLAFKPFD-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737090565 598571629 /nfs/dbraw/zinc/57/16/29/598571629.db2.gz JGDPEYAYZGRMDT-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737090565 598571630 /nfs/dbraw/zinc/57/16/30/598571630.db2.gz JGDPEYAYZGRMDT-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737143727 598579163 /nfs/dbraw/zinc/57/91/63/598579163.db2.gz UGVHZIQINTYNRN-AWEZNQCLSA-N -1 3 391.353 3.830 20 0 GHADHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737143727 598579165 /nfs/dbraw/zinc/57/91/65/598579165.db2.gz UGVHZIQINTYNRN-AWEZNQCLSA-N -1 3 391.353 3.830 20 0 GHADHM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738388042 598581090 /nfs/dbraw/zinc/58/10/90/598581090.db2.gz RUWFDVVFJAAXSW-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736611979 598582286 /nfs/dbraw/zinc/58/22/86/598582286.db2.gz YZNTZKDBNNJYBV-UHFFFAOYSA-N -1 3 387.827 3.678 20 0 GHADHM CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736611979 598582288 /nfs/dbraw/zinc/58/22/88/598582288.db2.gz YZNTZKDBNNJYBV-UHFFFAOYSA-N -1 3 387.827 3.678 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736193913 598587305 /nfs/dbraw/zinc/58/73/05/598587305.db2.gz UQPWMCFTMWRCSR-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736193913 598587307 /nfs/dbraw/zinc/58/73/07/598587307.db2.gz UQPWMCFTMWRCSR-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000738191961 598604214 /nfs/dbraw/zinc/60/42/14/598604214.db2.gz ORSMNACSQHZKEU-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000738191961 598604216 /nfs/dbraw/zinc/60/42/16/598604216.db2.gz ORSMNACSQHZKEU-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C1(Sc2ccccc2)CCCC1 ZINC000737023400 598617419 /nfs/dbraw/zinc/61/74/19/598617419.db2.gz DWGFEQRNWMXUSU-UHFFFAOYSA-N -1 3 396.472 3.886 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C1(Sc2ccccc2)CCCC1 ZINC000737023400 598617421 /nfs/dbraw/zinc/61/74/21/598617421.db2.gz DWGFEQRNWMXUSU-UHFFFAOYSA-N -1 3 396.472 3.886 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC(F)F ZINC000737091699 598638779 /nfs/dbraw/zinc/63/87/79/598638779.db2.gz XLVPXQIYGQOEEQ-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC(F)F ZINC000737091699 598638780 /nfs/dbraw/zinc/63/87/80/598638780.db2.gz XLVPXQIYGQOEEQ-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCCc2ccccc21 ZINC000738272248 598644516 /nfs/dbraw/zinc/64/45/16/598644516.db2.gz ZYAPGOMPPSWKGB-UHFFFAOYSA-N -1 3 398.426 3.647 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCCc2ccccc21 ZINC000738272248 598644518 /nfs/dbraw/zinc/64/45/18/598644518.db2.gz ZYAPGOMPPSWKGB-UHFFFAOYSA-N -1 3 398.426 3.647 20 0 GHADHM CCc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736682217 598646537 /nfs/dbraw/zinc/64/65/37/598646537.db2.gz IUDCEVOGHQITJM-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM CCc1ccc(CN(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736682217 598646539 /nfs/dbraw/zinc/64/65/39/598646539.db2.gz IUDCEVOGHQITJM-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737270726 598646872 /nfs/dbraw/zinc/64/68/72/598646872.db2.gz PFBNZOFIUDFEAH-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737270726 598646875 /nfs/dbraw/zinc/64/68/75/598646875.db2.gz PFBNZOFIUDFEAH-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CSc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189313 598648471 /nfs/dbraw/zinc/64/84/71/598648471.db2.gz FACMHGFKVGOUDW-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM CSc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189313 598648473 /nfs/dbraw/zinc/64/84/73/598648473.db2.gz FACMHGFKVGOUDW-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000737833627 598648920 /nfs/dbraw/zinc/64/89/20/598648920.db2.gz YSQVTRFAKWXDIM-YQVWRLOYSA-N -1 3 397.523 3.891 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000737833627 598648923 /nfs/dbraw/zinc/64/89/23/598648923.db2.gz YSQVTRFAKWXDIM-YQVWRLOYSA-N -1 3 397.523 3.891 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cnc2ccccc2c1 ZINC000737843039 598649032 /nfs/dbraw/zinc/64/90/32/598649032.db2.gz XYXNJHHRPBVDCZ-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cnc2ccccc2c1 ZINC000737843039 598649033 /nfs/dbraw/zinc/64/90/33/598649033.db2.gz XYXNJHHRPBVDCZ-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM C[C@H](N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)(C)C ZINC000736100397 598649825 /nfs/dbraw/zinc/64/98/25/598649825.db2.gz YLMMAOBVWODTPY-ZDUSSCGKSA-N -1 3 380.452 3.561 20 0 GHADHM C[C@H](N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)(C)C ZINC000736100397 598649826 /nfs/dbraw/zinc/64/98/26/598649826.db2.gz YLMMAOBVWODTPY-ZDUSSCGKSA-N -1 3 380.452 3.561 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736201790 598649884 /nfs/dbraw/zinc/64/98/84/598649884.db2.gz ICVGGDYCAZFLPA-HNNXBMFYSA-N -1 3 397.454 3.775 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736201790 598649886 /nfs/dbraw/zinc/64/98/86/598649886.db2.gz ICVGGDYCAZFLPA-HNNXBMFYSA-N -1 3 397.454 3.775 20 0 GHADHM CC(C)CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000735819474 598651174 /nfs/dbraw/zinc/65/11/74/598651174.db2.gz WDBHDOPKDNGXDJ-UHFFFAOYSA-N -1 3 380.452 3.561 20 0 GHADHM CC(C)CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC000735819474 598651175 /nfs/dbraw/zinc/65/11/75/598651175.db2.gz WDBHDOPKDNGXDJ-UHFFFAOYSA-N -1 3 380.452 3.561 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735913989 598653011 /nfs/dbraw/zinc/65/30/11/598653011.db2.gz PBDJRURNKVLDKJ-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735913989 598653013 /nfs/dbraw/zinc/65/30/13/598653013.db2.gz PBDJRURNKVLDKJ-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000737342715 598653626 /nfs/dbraw/zinc/65/36/26/598653626.db2.gz NXYPQXUFECWVDA-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737342715 598653627 /nfs/dbraw/zinc/65/36/27/598653627.db2.gz NXYPQXUFECWVDA-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCc2cccc(Cl)c21 ZINC000737833632 598654077 /nfs/dbraw/zinc/65/40/77/598654077.db2.gz ZACMQTNRFPABOV-UHFFFAOYSA-N -1 3 397.866 3.659 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCc2cccc(Cl)c21 ZINC000737833632 598654079 /nfs/dbraw/zinc/65/40/79/598654079.db2.gz ZACMQTNRFPABOV-UHFFFAOYSA-N -1 3 397.866 3.659 20 0 GHADHM Clc1cc(NCc2nn(-c3ccccc3)c3c2CCC3)ccc1-c1nnn[n-]1 ZINC000737566405 598655135 /nfs/dbraw/zinc/65/51/35/598655135.db2.gz RWHHHLDYQTWILH-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM Clc1cc(NCc2nn(-c3ccccc3)c3c2CCC3)ccc1-c1nn[n-]n1 ZINC000737566405 598655137 /nfs/dbraw/zinc/65/51/37/598655137.db2.gz RWHHHLDYQTWILH-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736961178 598658068 /nfs/dbraw/zinc/65/80/68/598658068.db2.gz JPEWKUNAZDKURX-HNNXBMFYSA-N -1 3 395.463 3.762 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736961178 598658070 /nfs/dbraw/zinc/65/80/70/598658070.db2.gz JPEWKUNAZDKURX-HNNXBMFYSA-N -1 3 395.463 3.762 20 0 GHADHM CCCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736439207 598661633 /nfs/dbraw/zinc/66/16/33/598661633.db2.gz SJZLCJAWXHKOME-LFDGNKEFSA-N -1 3 391.475 3.936 20 0 GHADHM CCCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736439207 598661635 /nfs/dbraw/zinc/66/16/35/598661635.db2.gz SJZLCJAWXHKOME-LFDGNKEFSA-N -1 3 391.475 3.936 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736210953 598668279 /nfs/dbraw/zinc/66/82/79/598668279.db2.gz JRWGTCXTBDSBLK-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736210953 598668281 /nfs/dbraw/zinc/66/82/81/598668281.db2.gz JRWGTCXTBDSBLK-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM Cc1cc(N2CC[C@H](c3ccco3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273209 598675475 /nfs/dbraw/zinc/67/54/75/598675475.db2.gz YYBQQVWZKHDOPC-AWEZNQCLSA-N -1 3 385.431 3.563 20 0 GHADHM Cc1cc(N2CC[C@H](c3ccco3)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273209 598675476 /nfs/dbraw/zinc/67/54/76/598675476.db2.gz YYBQQVWZKHDOPC-AWEZNQCLSA-N -1 3 385.431 3.563 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736685480 598697915 /nfs/dbraw/zinc/69/79/15/598697915.db2.gz LSOGIXRNHYTTBM-ZDUSSCGKSA-N -1 3 399.495 3.679 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736685480 598697916 /nfs/dbraw/zinc/69/79/16/598697916.db2.gz LSOGIXRNHYTTBM-ZDUSSCGKSA-N -1 3 399.495 3.679 20 0 GHADHM Cc1nc2ccccc2c(C)c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737488897 598704842 /nfs/dbraw/zinc/70/48/42/598704842.db2.gz ADLFWAUYVDHMEE-UHFFFAOYSA-N -1 3 377.379 3.528 20 0 GHADHM Cc1nc2ccccc2c(C)c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737488897 598704843 /nfs/dbraw/zinc/70/48/43/598704843.db2.gz ADLFWAUYVDHMEE-UHFFFAOYSA-N -1 3 377.379 3.528 20 0 GHADHM CC(C)(C)OCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735639636 598712284 /nfs/dbraw/zinc/71/22/84/598712284.db2.gz KRGSMGMZEFQPCO-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM CC(C)(C)OCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735639636 598712285 /nfs/dbraw/zinc/71/22/85/598712285.db2.gz KRGSMGMZEFQPCO-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113346 598723950 /nfs/dbraw/zinc/72/39/50/598723950.db2.gz YXRNZQNVZJVHIZ-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113346 598723951 /nfs/dbraw/zinc/72/39/51/598723951.db2.gz YXRNZQNVZJVHIZ-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM CCC1CCC(N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736395071 598725582 /nfs/dbraw/zinc/72/55/82/598725582.db2.gz GUCNTIZRMYGRJT-UHFFFAOYSA-N -1 3 394.426 3.901 20 0 GHADHM CCC1CCC(N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736395071 598725584 /nfs/dbraw/zinc/72/55/84/598725584.db2.gz GUCNTIZRMYGRJT-UHFFFAOYSA-N -1 3 394.426 3.901 20 0 GHADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000736152231 598725822 /nfs/dbraw/zinc/72/58/22/598725822.db2.gz SEYGWDSTZGIIRE-AWEZNQCLSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000736152231 598725826 /nfs/dbraw/zinc/72/58/26/598725826.db2.gz SEYGWDSTZGIIRE-AWEZNQCLSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736152279 598725855 /nfs/dbraw/zinc/72/58/55/598725855.db2.gz SKLJECMBJDXTLC-CQSZACIVSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736152279 598725857 /nfs/dbraw/zinc/72/58/57/598725857.db2.gz SKLJECMBJDXTLC-CQSZACIVSA-N -1 3 384.411 3.859 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000736298055 598731605 /nfs/dbraw/zinc/73/16/05/598731605.db2.gz OLBRQZFEMHCEQH-MGPUTAFESA-N -1 3 390.491 3.720 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000736298055 598731607 /nfs/dbraw/zinc/73/16/07/598731607.db2.gz OLBRQZFEMHCEQH-MGPUTAFESA-N -1 3 390.491 3.720 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735619070 598746377 /nfs/dbraw/zinc/74/63/77/598746377.db2.gz SMZUSCZCANLKIX-BUHFOSPRSA-N -1 3 375.476 3.955 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735619070 598746378 /nfs/dbraw/zinc/74/63/78/598746378.db2.gz SMZUSCZCANLKIX-BUHFOSPRSA-N -1 3 375.476 3.955 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccnc(C2CC2)n1 ZINC000738236707 598759684 /nfs/dbraw/zinc/75/96/84/598759684.db2.gz QICWAELUVXTBQD-UHFFFAOYSA-N -1 3 398.426 3.558 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccnc(C2CC2)n1 ZINC000738236707 598759685 /nfs/dbraw/zinc/75/96/85/598759685.db2.gz QICWAELUVXTBQD-UHFFFAOYSA-N -1 3 398.426 3.558 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737415134 598764689 /nfs/dbraw/zinc/76/46/89/598764689.db2.gz JTLVAYQGDSCGGF-OXJNMPFZSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737415134 598764690 /nfs/dbraw/zinc/76/46/90/598764690.db2.gz JTLVAYQGDSCGGF-OXJNMPFZSA-N -1 3 393.491 3.798 20 0 GHADHM CCc1cccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000736700572 598780798 /nfs/dbraw/zinc/78/07/98/598780798.db2.gz UYUUADYYXNORMT-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735830541 598783329 /nfs/dbraw/zinc/78/33/29/598783329.db2.gz HSHMEOWMYXDSFK-HNNXBMFYSA-N -1 3 394.479 3.501 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000735830541 598783330 /nfs/dbraw/zinc/78/33/30/598783330.db2.gz HSHMEOWMYXDSFK-HNNXBMFYSA-N -1 3 394.479 3.501 20 0 GHADHM Cc1cn2nc(Nc3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)sc2n1 ZINC000737444987 598796013 /nfs/dbraw/zinc/79/60/13/598796013.db2.gz FJJOACDAQVKCIO-UHFFFAOYSA-N -1 3 390.432 3.815 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113312 598798331 /nfs/dbraw/zinc/79/83/31/598798331.db2.gz NAVZQPBKIPEWHC-XIKOKIGWSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113312 598798332 /nfs/dbraw/zinc/79/83/32/598798332.db2.gz NAVZQPBKIPEWHC-XIKOKIGWSA-N -1 3 398.417 3.753 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735680071 598799638 /nfs/dbraw/zinc/79/96/38/598799638.db2.gz RGMVMQABNLIJFH-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735680071 598799640 /nfs/dbraw/zinc/79/96/40/598799640.db2.gz RGMVMQABNLIJFH-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000736820888 598800688 /nfs/dbraw/zinc/80/06/88/598800688.db2.gz RKTFVBRDJWMXER-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000736820888 598800689 /nfs/dbraw/zinc/80/06/89/598800689.db2.gz RKTFVBRDJWMXER-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM CS[C@@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737172880 598806121 /nfs/dbraw/zinc/80/61/21/598806121.db2.gz VTMFZYADVNZGLL-LBPRGKRZSA-N -1 3 387.896 3.805 20 0 GHADHM CS[C@@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737172880 598806122 /nfs/dbraw/zinc/80/61/22/598806122.db2.gz VTMFZYADVNZGLL-LBPRGKRZSA-N -1 3 387.896 3.805 20 0 GHADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc2sccc2s1 ZINC000738196703 598807053 /nfs/dbraw/zinc/80/70/53/598807053.db2.gz ZOOKDCRNKFTFHV-UHFFFAOYSA-N -1 3 393.457 3.581 20 0 GHADHM CCc1cc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)ncn1 ZINC000736677776 598816651 /nfs/dbraw/zinc/81/66/51/598816651.db2.gz NOEDOGPPOXXWKQ-UHFFFAOYSA-N -1 3 391.410 3.681 20 0 GHADHM CCc1cc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)ncn1 ZINC000736677776 598816652 /nfs/dbraw/zinc/81/66/52/598816652.db2.gz NOEDOGPPOXXWKQ-UHFFFAOYSA-N -1 3 391.410 3.681 20 0 GHADHM CCOc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1C ZINC000736625319 598821503 /nfs/dbraw/zinc/82/15/03/598821503.db2.gz AKVUSJWRNAESRU-UHFFFAOYSA-N -1 3 379.464 3.625 20 0 GHADHM CCOc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1C ZINC000736625319 598821504 /nfs/dbraw/zinc/82/15/04/598821504.db2.gz AKVUSJWRNAESRU-UHFFFAOYSA-N -1 3 379.464 3.625 20 0 GHADHM Cc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1C(F)(F)F ZINC000822208187 599297954 /nfs/dbraw/zinc/29/79/54/599297954.db2.gz FWYDHNFHEYWHIK-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1C(F)(F)F ZINC000822208187 599297957 /nfs/dbraw/zinc/29/79/57/599297957.db2.gz FWYDHNFHEYWHIK-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM C[C@@H]1SCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736301204 599302948 /nfs/dbraw/zinc/30/29/48/599302948.db2.gz MNLNJOIGQWOJQY-YWZLYKJASA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1SCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736301204 599302951 /nfs/dbraw/zinc/30/29/51/599302951.db2.gz MNLNJOIGQWOJQY-YWZLYKJASA-N -1 3 393.516 3.505 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(c1ccccc1F)C1CCCC1 ZINC000737852454 599303196 /nfs/dbraw/zinc/30/31/96/599303196.db2.gz LIHISGKUFTVBJD-UHFFFAOYSA-N -1 3 379.439 3.914 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1F)C1CCCC1 ZINC000737852454 599303199 /nfs/dbraw/zinc/30/31/99/599303199.db2.gz LIHISGKUFTVBJD-UHFFFAOYSA-N -1 3 379.439 3.914 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000737287189 599308407 /nfs/dbraw/zinc/30/84/07/599308407.db2.gz DRCACIYSDFUUEI-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000737287189 599308410 /nfs/dbraw/zinc/30/84/10/599308410.db2.gz DRCACIYSDFUUEI-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM CCCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000736489825 599309601 /nfs/dbraw/zinc/30/96/01/599309601.db2.gz BJRITOJRHXNUHS-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CCCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000736489825 599309603 /nfs/dbraw/zinc/30/96/03/599309603.db2.gz BJRITOJRHXNUHS-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000474600145 599312558 /nfs/dbraw/zinc/31/25/58/599312558.db2.gz HCPIGUDFVKZCGK-HNNXBMFYSA-N -1 3 378.480 3.562 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000474600145 599312560 /nfs/dbraw/zinc/31/25/60/599312560.db2.gz HCPIGUDFVKZCGK-HNNXBMFYSA-N -1 3 378.480 3.562 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000736188428 599341416 /nfs/dbraw/zinc/34/14/16/599341416.db2.gz OAEGLMNLLWKSEB-LLVKDONJSA-N -1 3 399.476 3.563 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000736188428 599341417 /nfs/dbraw/zinc/34/14/17/599341417.db2.gz OAEGLMNLLWKSEB-LLVKDONJSA-N -1 3 399.476 3.563 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H](C)c1cccc(O)c1 ZINC000736506319 599351904 /nfs/dbraw/zinc/35/19/04/599351904.db2.gz ULCCEVPJPHNXDP-NSHDSACASA-N -1 3 386.843 3.841 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H](C)c1cccc(O)c1 ZINC000736506319 599351906 /nfs/dbraw/zinc/35/19/06/599351906.db2.gz ULCCEVPJPHNXDP-NSHDSACASA-N -1 3 386.843 3.841 20 0 GHADHM C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460727 599357098 /nfs/dbraw/zinc/35/70/98/599357098.db2.gz APEGILFOAGICEP-LBPRGKRZSA-N -1 3 388.460 3.811 20 0 GHADHM C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460727 599357099 /nfs/dbraw/zinc/35/70/99/599357099.db2.gz APEGILFOAGICEP-LBPRGKRZSA-N -1 3 388.460 3.811 20 0 GHADHM CCC[C@@H](Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OCC ZINC000821021859 599367572 /nfs/dbraw/zinc/36/75/72/599367572.db2.gz PIXPLIHWCRFDOS-LJQANCHMSA-N -1 3 395.463 3.589 20 0 GHADHM CCC[C@@H](Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OCC ZINC000821021859 599367575 /nfs/dbraw/zinc/36/75/75/599367575.db2.gz PIXPLIHWCRFDOS-LJQANCHMSA-N -1 3 395.463 3.589 20 0 GHADHM CSCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000737181754 599372884 /nfs/dbraw/zinc/37/28/84/599372884.db2.gz NIKNJDOPWCLIBW-UHFFFAOYSA-N -1 3 399.495 3.991 20 0 GHADHM CSCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000737181754 599372886 /nfs/dbraw/zinc/37/28/86/599372886.db2.gz NIKNJDOPWCLIBW-UHFFFAOYSA-N -1 3 399.495 3.991 20 0 GHADHM CC(C)(C)c1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819958068 599381271 /nfs/dbraw/zinc/38/12/71/599381271.db2.gz HOEUAWCAGACKCA-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819958068 599381274 /nfs/dbraw/zinc/38/12/74/599381274.db2.gz HOEUAWCAGACKCA-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM Cc1ccc(C(C)C)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822228830 599382058 /nfs/dbraw/zinc/38/20/58/599382058.db2.gz GKAJQDJGGFZZDG-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM Cc1ccc(C(C)C)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822228830 599382060 /nfs/dbraw/zinc/38/20/60/599382060.db2.gz GKAJQDJGGFZZDG-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM CCCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OCCC ZINC000821133628 599393518 /nfs/dbraw/zinc/39/35/18/599393518.db2.gz BZPAXETUKJIYMC-AWEZNQCLSA-N -1 3 385.468 3.888 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178448 599408982 /nfs/dbraw/zinc/40/89/82/599408982.db2.gz QMTFSYHSNJSLGB-HUUCEWRRSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178448 599408985 /nfs/dbraw/zinc/40/89/85/599408985.db2.gz QMTFSYHSNJSLGB-HUUCEWRRSA-N -1 3 394.479 3.775 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373146 599425427 /nfs/dbraw/zinc/42/54/27/599425427.db2.gz FJIHVNDLKOOXAK-AWEZNQCLSA-N -1 3 378.480 3.725 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373146 599425430 /nfs/dbraw/zinc/42/54/30/599425430.db2.gz FJIHVNDLKOOXAK-AWEZNQCLSA-N -1 3 378.480 3.725 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1csc2ccccc12 ZINC000820365450 599436373 /nfs/dbraw/zinc/43/63/73/599436373.db2.gz JOERXYCVKINBQD-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1csc2ccccc12 ZINC000820365450 599436376 /nfs/dbraw/zinc/43/63/76/599436376.db2.gz JOERXYCVKINBQD-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820191957 599441347 /nfs/dbraw/zinc/44/13/47/599441347.db2.gz BXQVCSOMZNJZCC-INIZCTEOSA-N -1 3 392.507 3.983 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820191957 599441349 /nfs/dbraw/zinc/44/13/49/599441349.db2.gz BXQVCSOMZNJZCC-INIZCTEOSA-N -1 3 392.507 3.983 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000823786691 599446438 /nfs/dbraw/zinc/44/64/38/599446438.db2.gz BMHQOCGJFLCLMS-IBGZPJMESA-N -1 3 375.432 3.507 20 0 GHADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000823786691 599446439 /nfs/dbraw/zinc/44/64/39/599446439.db2.gz BMHQOCGJFLCLMS-IBGZPJMESA-N -1 3 375.432 3.507 20 0 GHADHM Cc1cccc(F)c1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000822309137 599459689 /nfs/dbraw/zinc/45/96/89/599459689.db2.gz MZTLKDINGKQXMJ-UHFFFAOYSA-N -1 3 396.470 3.682 20 0 GHADHM Cc1cccc(F)c1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000822309137 599459690 /nfs/dbraw/zinc/45/96/90/599459690.db2.gz MZTLKDINGKQXMJ-UHFFFAOYSA-N -1 3 396.470 3.682 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000821401857 599467167 /nfs/dbraw/zinc/46/71/67/599467167.db2.gz ZZHWVOKUCKQUBB-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000821401857 599467169 /nfs/dbraw/zinc/46/71/69/599467169.db2.gz ZZHWVOKUCKQUBB-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737943237 599469413 /nfs/dbraw/zinc/46/94/13/599469413.db2.gz QOROYBCVLUDRBY-INIZCTEOSA-N -1 3 383.477 3.696 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737943237 599469415 /nfs/dbraw/zinc/46/94/15/599469415.db2.gz QOROYBCVLUDRBY-INIZCTEOSA-N -1 3 383.477 3.696 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820342921 599473153 /nfs/dbraw/zinc/47/31/53/599473153.db2.gz YQXGKCVVCSLNFR-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820342921 599473155 /nfs/dbraw/zinc/47/31/55/599473155.db2.gz YQXGKCVVCSLNFR-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822350259 599474832 /nfs/dbraw/zinc/47/48/32/599474832.db2.gz BRSJRNCWAFSRGV-DNVCBOLYSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822350259 599474834 /nfs/dbraw/zinc/47/48/34/599474834.db2.gz BRSJRNCWAFSRGV-DNVCBOLYSA-N -1 3 376.464 3.783 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339592 599476054 /nfs/dbraw/zinc/47/60/54/599476054.db2.gz DMKUIMOAQGIHNV-QWHCGFSZSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339592 599476057 /nfs/dbraw/zinc/47/60/57/599476057.db2.gz DMKUIMOAQGIHNV-QWHCGFSZSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348120 599477998 /nfs/dbraw/zinc/47/79/98/599477998.db2.gz AAUNDXNFCQIHDN-UGSOOPFHSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348120 599477999 /nfs/dbraw/zinc/47/79/99/599477999.db2.gz AAUNDXNFCQIHDN-UGSOOPFHSA-N -1 3 380.427 3.614 20 0 GHADHM CCO[C@@H](C)c1nc(CSCCOc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736619779 599480305 /nfs/dbraw/zinc/48/03/05/599480305.db2.gz ZNEOWGDLOIROTC-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339506 599480578 /nfs/dbraw/zinc/48/05/78/599480578.db2.gz DDWZVBGNRAIHOT-INIZCTEOSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339506 599480580 /nfs/dbraw/zinc/48/05/80/599480580.db2.gz DDWZVBGNRAIHOT-INIZCTEOSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349311 599485806 /nfs/dbraw/zinc/48/58/06/599485806.db2.gz HJIDQVNDEUBKEV-KPZWWZAWSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349311 599485808 /nfs/dbraw/zinc/48/58/08/599485808.db2.gz HJIDQVNDEUBKEV-KPZWWZAWSA-N -1 3 398.417 3.753 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc(OC2CCCCC2)cc1 ZINC000738418974 599491632 /nfs/dbraw/zinc/49/16/32/599491632.db2.gz KQILVMZYNKUAGJ-UHFFFAOYSA-N -1 3 389.463 3.838 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc(OC2CCCCC2)cc1 ZINC000738418974 599491634 /nfs/dbraw/zinc/49/16/34/599491634.db2.gz KQILVMZYNKUAGJ-UHFFFAOYSA-N -1 3 389.463 3.838 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820689653 599493930 /nfs/dbraw/zinc/49/39/30/599493930.db2.gz AHJKSWFBHZCGOX-RDTXWAMCSA-N -1 3 378.432 3.787 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820689653 599493931 /nfs/dbraw/zinc/49/39/31/599493931.db2.gz AHJKSWFBHZCGOX-RDTXWAMCSA-N -1 3 378.432 3.787 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(C)c1 ZINC000736633830 599500404 /nfs/dbraw/zinc/50/04/04/599500404.db2.gz FODLSKZQXQGNBO-UHFFFAOYSA-N -1 3 380.452 3.631 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(C)c1 ZINC000736633830 599500406 /nfs/dbraw/zinc/50/04/06/599500406.db2.gz FODLSKZQXQGNBO-UHFFFAOYSA-N -1 3 380.452 3.631 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113647 599501016 /nfs/dbraw/zinc/50/10/16/599501016.db2.gz RAIQFOCGWZEXBI-YOEHRIQHSA-N -1 3 380.452 3.848 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113647 599501017 /nfs/dbraw/zinc/50/10/17/599501017.db2.gz RAIQFOCGWZEXBI-YOEHRIQHSA-N -1 3 380.452 3.848 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC(OCCc2ccccc2)CC1 ZINC000822581172 599501787 /nfs/dbraw/zinc/50/17/87/599501787.db2.gz CRXFOFMIWOTJIM-UHFFFAOYSA-N -1 3 383.883 3.748 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC(OCCc2ccccc2)CC1 ZINC000822581172 599501789 /nfs/dbraw/zinc/50/17/89/599501789.db2.gz CRXFOFMIWOTJIM-UHFFFAOYSA-N -1 3 383.883 3.748 20 0 GHADHM C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397892 599502273 /nfs/dbraw/zinc/50/22/73/599502273.db2.gz WIBNWVYUDUVAHQ-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397892 599502276 /nfs/dbraw/zinc/50/22/76/599502276.db2.gz WIBNWVYUDUVAHQ-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccccc2F)CC1 ZINC000737292103 599502783 /nfs/dbraw/zinc/50/27/83/599502783.db2.gz RUWABOHCBPBEJN-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccccc2F)CC1 ZINC000737292103 599502785 /nfs/dbraw/zinc/50/27/85/599502785.db2.gz RUWABOHCBPBEJN-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM COc1ccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000821782722 599502977 /nfs/dbraw/zinc/50/29/77/599502977.db2.gz LRWGUEWUAJTGIO-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM COc1ccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000821782722 599502980 /nfs/dbraw/zinc/50/29/80/599502980.db2.gz LRWGUEWUAJTGIO-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](c2ccccc2)C1 ZINC000822774205 599504890 /nfs/dbraw/zinc/50/48/90/599504890.db2.gz HCIVFRRFORZRAK-ZDUSSCGKSA-N -1 3 378.386 3.687 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](c2ccccc2)C1 ZINC000822774205 599504892 /nfs/dbraw/zinc/50/48/92/599504892.db2.gz HCIVFRRFORZRAK-ZDUSSCGKSA-N -1 3 378.386 3.687 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820234702 607382150 /nfs/dbraw/zinc/38/21/50/607382150.db2.gz PDSQUAKZZXTNLA-ZBEGNZNMSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820234702 607382152 /nfs/dbraw/zinc/38/21/52/607382152.db2.gz PDSQUAKZZXTNLA-ZBEGNZNMSA-N -1 3 377.370 3.810 20 0 GHADHM COc1ccc(OC)c(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737109678 599521043 /nfs/dbraw/zinc/52/10/43/599521043.db2.gz LZMFXWGBNJOWOD-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737420753 599529169 /nfs/dbraw/zinc/52/91/69/599529169.db2.gz HDKXBWXYARKWLW-OLZOCXBDSA-N -1 3 388.397 3.971 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737420753 599529172 /nfs/dbraw/zinc/52/91/72/599529172.db2.gz HDKXBWXYARKWLW-OLZOCXBDSA-N -1 3 388.397 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820555087 599534604 /nfs/dbraw/zinc/53/46/04/599534604.db2.gz FXZHUWISIRVBJD-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820555087 599534606 /nfs/dbraw/zinc/53/46/06/599534606.db2.gz FXZHUWISIRVBJD-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737424819 599536953 /nfs/dbraw/zinc/53/69/53/599536953.db2.gz YFYLNZGTBLBZSV-GJZGRUSLSA-N -1 3 378.505 3.750 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737424819 599536954 /nfs/dbraw/zinc/53/69/54/599536954.db2.gz YFYLNZGTBLBZSV-GJZGRUSLSA-N -1 3 378.505 3.750 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501181 599542015 /nfs/dbraw/zinc/54/20/15/599542015.db2.gz AEYJAVQFPRPDDR-HUUCEWRRSA-N -1 3 381.455 3.794 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501181 599542016 /nfs/dbraw/zinc/54/20/16/599542016.db2.gz AEYJAVQFPRPDDR-HUUCEWRRSA-N -1 3 381.455 3.794 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1SCC(F)F ZINC000737964668 599548904 /nfs/dbraw/zinc/54/89/04/599548904.db2.gz YDWLFILIOVOVIK-UHFFFAOYSA-N -1 3 393.394 3.544 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1SCC(F)F ZINC000737964668 599548906 /nfs/dbraw/zinc/54/89/06/599548906.db2.gz YDWLFILIOVOVIK-UHFFFAOYSA-N -1 3 393.394 3.544 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000820741888 599554893 /nfs/dbraw/zinc/55/48/93/599554893.db2.gz GIQUXUSFJIPZEX-DYVFJYSZSA-N -1 3 379.468 3.648 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000820741888 599554895 /nfs/dbraw/zinc/55/48/95/599554895.db2.gz GIQUXUSFJIPZEX-DYVFJYSZSA-N -1 3 379.468 3.648 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(C(C)(C)C)cc1 ZINC000821617955 599568776 /nfs/dbraw/zinc/56/87/76/599568776.db2.gz JMVXTPDHNYYTKT-UHFFFAOYSA-N -1 3 389.463 3.851 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(C(C)(C)C)cc1 ZINC000821617955 599568779 /nfs/dbraw/zinc/56/87/79/599568779.db2.gz JMVXTPDHNYYTKT-UHFFFAOYSA-N -1 3 389.463 3.851 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](Cc2ccccc2)C1 ZINC000822775186 599581052 /nfs/dbraw/zinc/58/10/52/599581052.db2.gz SWSQNWZWPKBMHV-AWEZNQCLSA-N -1 3 392.413 3.762 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](Cc2ccccc2)C1 ZINC000822775186 599581053 /nfs/dbraw/zinc/58/10/53/599581053.db2.gz SWSQNWZWPKBMHV-AWEZNQCLSA-N -1 3 392.413 3.762 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737329786 599591988 /nfs/dbraw/zinc/59/19/88/599591988.db2.gz LBCLFMQVQOHWDI-KBXCAEBGSA-N -1 3 396.520 3.648 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000737331118 599612977 /nfs/dbraw/zinc/61/29/77/599612977.db2.gz PIROYIYXQUOUQB-KRWDZBQOSA-N -1 3 398.442 3.734 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000737331118 599612979 /nfs/dbraw/zinc/61/29/79/599612979.db2.gz PIROYIYXQUOUQB-KRWDZBQOSA-N -1 3 398.442 3.734 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737328644 599613202 /nfs/dbraw/zinc/61/32/02/599613202.db2.gz GPTAOIUARSOBGV-JXFKEZNVSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737328644 599613203 /nfs/dbraw/zinc/61/32/03/599613203.db2.gz GPTAOIUARSOBGV-JXFKEZNVSA-N -1 3 390.491 3.858 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000820206707 599621238 /nfs/dbraw/zinc/62/12/38/599621238.db2.gz WYNLXBBMBOGTMF-NSHDSACASA-N -1 3 396.476 3.856 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000820206707 599621239 /nfs/dbraw/zinc/62/12/39/599621239.db2.gz WYNLXBBMBOGTMF-NSHDSACASA-N -1 3 396.476 3.856 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225187 599622244 /nfs/dbraw/zinc/62/22/44/599622244.db2.gz CRGGUKBQTRGKJT-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225187 599622245 /nfs/dbraw/zinc/62/22/45/599622245.db2.gz CRGGUKBQTRGKJT-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM CSCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000821971261 599628321 /nfs/dbraw/zinc/62/83/21/599628321.db2.gz ZSIZPPRANGRQJY-UHFFFAOYSA-N -1 3 390.852 3.832 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc(F)c1Cl ZINC000823387769 599629006 /nfs/dbraw/zinc/62/90/06/599629006.db2.gz XCIKAGSQPJRFBW-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc(F)c1Cl ZINC000823387769 599629007 /nfs/dbraw/zinc/62/90/07/599629007.db2.gz XCIKAGSQPJRFBW-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM Cc1sc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nnn[n-]2)c1C ZINC000822558941 599629035 /nfs/dbraw/zinc/62/90/35/599629035.db2.gz TZBQQHDECVFTJA-SREVYHEPSA-N -1 3 388.522 3.951 20 0 GHADHM Cc1sc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nn[n-]n2)c1C ZINC000822558941 599629036 /nfs/dbraw/zinc/62/90/36/599629036.db2.gz TZBQQHDECVFTJA-SREVYHEPSA-N -1 3 388.522 3.951 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000821133873 599629213 /nfs/dbraw/zinc/62/92/13/599629213.db2.gz IOCLVXZWEHFJAH-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821133873 599629214 /nfs/dbraw/zinc/62/92/14/599629214.db2.gz IOCLVXZWEHFJAH-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM O=C(CCC1CCOCC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822949986 599630720 /nfs/dbraw/zinc/63/07/20/599630720.db2.gz BEWSFWNCZNQASE-UHFFFAOYSA-N -1 3 391.475 3.607 20 0 GHADHM O=C(CCC1CCOCC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822949986 599630721 /nfs/dbraw/zinc/63/07/21/599630721.db2.gz BEWSFWNCZNQASE-UHFFFAOYSA-N -1 3 391.475 3.607 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000821389090 599631166 /nfs/dbraw/zinc/63/11/66/599631166.db2.gz FVXMEOYLOUMNQK-UHFFFAOYSA-N -1 3 375.429 3.589 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000821389090 599631167 /nfs/dbraw/zinc/63/11/67/599631167.db2.gz FVXMEOYLOUMNQK-UHFFFAOYSA-N -1 3 375.429 3.589 20 0 GHADHM Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822293508 599633571 /nfs/dbraw/zinc/63/35/71/599633571.db2.gz AIPXCIJVENBDGG-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822293508 599633572 /nfs/dbraw/zinc/63/35/72/599633572.db2.gz AIPXCIJVENBDGG-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000823303284 599633859 /nfs/dbraw/zinc/63/38/59/599633859.db2.gz FVELCAUVFFCVBY-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000823303284 599633860 /nfs/dbraw/zinc/63/38/60/599633860.db2.gz FVELCAUVFFCVBY-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(c2ccccc2)CCC1 ZINC000823303658 599635269 /nfs/dbraw/zinc/63/52/69/599635269.db2.gz PWRICDAXQRMKSA-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(c2ccccc2)CCC1 ZINC000823303658 599635270 /nfs/dbraw/zinc/63/52/70/599635270.db2.gz PWRICDAXQRMKSA-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000821700078 599646420 /nfs/dbraw/zinc/64/64/20/599646420.db2.gz CCXSCPXBWAGEPW-NSHDSACASA-N -1 3 396.382 3.513 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000821700078 599646421 /nfs/dbraw/zinc/64/64/21/599646421.db2.gz CCXSCPXBWAGEPW-NSHDSACASA-N -1 3 396.382 3.513 20 0 GHADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148348 599648726 /nfs/dbraw/zinc/64/87/26/599648726.db2.gz NVNZXONVEDDDKU-SJORKVTESA-N -1 3 393.491 3.881 20 0 GHADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148348 599648727 /nfs/dbraw/zinc/64/87/27/599648727.db2.gz NVNZXONVEDDDKU-SJORKVTESA-N -1 3 393.491 3.881 20 0 GHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820497801 599650868 /nfs/dbraw/zinc/65/08/68/599650868.db2.gz VZRAILOKXUDQII-HNNXBMFYSA-N -1 3 392.459 3.737 20 0 GHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820497801 599650869 /nfs/dbraw/zinc/65/08/69/599650869.db2.gz VZRAILOKXUDQII-HNNXBMFYSA-N -1 3 392.459 3.737 20 0 GHADHM CCC(CC)[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820893994 599668905 /nfs/dbraw/zinc/66/89/05/599668905.db2.gz ZPIZDIABDWEMEA-LJQANCHMSA-N -1 3 396.470 3.983 20 0 GHADHM CCC(CC)[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820893994 599668906 /nfs/dbraw/zinc/66/89/06/599668906.db2.gz ZPIZDIABDWEMEA-LJQANCHMSA-N -1 3 396.470 3.983 20 0 GHADHM Cc1cccc(C2(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)CCCC2)c1 ZINC000822299284 599674226 /nfs/dbraw/zinc/67/42/26/599674226.db2.gz DFNGUMITABKPEQ-UHFFFAOYSA-N -1 3 394.454 3.583 20 0 GHADHM Cc1cccc(C2(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CCCC2)c1 ZINC000822299284 599674227 /nfs/dbraw/zinc/67/42/27/599674227.db2.gz DFNGUMITABKPEQ-UHFFFAOYSA-N -1 3 394.454 3.583 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000820117103 599677632 /nfs/dbraw/zinc/67/76/32/599677632.db2.gz VFFZLIWPXMMRIS-BHIYHBOVSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000820117103 599677633 /nfs/dbraw/zinc/67/76/33/599677633.db2.gz VFFZLIWPXMMRIS-BHIYHBOVSA-N -1 3 382.512 3.756 20 0 GHADHM CCc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821481592 599681649 /nfs/dbraw/zinc/68/16/49/599681649.db2.gz LVFAEVSUBILQLJ-HNNXBMFYSA-N -1 3 390.491 3.864 20 0 GHADHM CCc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821481592 599681650 /nfs/dbraw/zinc/68/16/50/599681650.db2.gz LVFAEVSUBILQLJ-HNNXBMFYSA-N -1 3 390.491 3.864 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351210 599682095 /nfs/dbraw/zinc/68/20/95/599682095.db2.gz MZZLPLFNDUXKCI-BEFAXECRSA-N -1 3 391.479 3.650 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351210 599682096 /nfs/dbraw/zinc/68/20/96/599682096.db2.gz MZZLPLFNDUXKCI-BEFAXECRSA-N -1 3 391.479 3.650 20 0 GHADHM C[C@@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357724 599682269 /nfs/dbraw/zinc/68/22/69/599682269.db2.gz JJVQVPSUJUBTQJ-XIKARTHZSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357724 599682270 /nfs/dbraw/zinc/68/22/70/599682270.db2.gz JJVQVPSUJUBTQJ-XIKARTHZSA-N -1 3 396.417 3.596 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000820096351 599691482 /nfs/dbraw/zinc/69/14/82/599691482.db2.gz ATZYAJZQQFLRMU-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000820096351 599691483 /nfs/dbraw/zinc/69/14/83/599691483.db2.gz ATZYAJZQQFLRMU-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM O=C([O-])N1CCC(NCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000738641738 599730853 /nfs/dbraw/zinc/73/08/53/599730853.db2.gz XWYRXICQLOBLRS-UHFFFAOYSA-N -1 3 396.310 3.805 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000738624066 599772339 /nfs/dbraw/zinc/77/23/39/599772339.db2.gz CITQCIFUMWOJKN-HZPDHXFCSA-N -1 3 385.464 3.881 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1-c1nnn[n-]1 ZINC000820161593 607398263 /nfs/dbraw/zinc/39/82/63/607398263.db2.gz XSMDSDAYPGSERG-CQSZACIVSA-N -1 3 383.477 3.774 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1-c1nn[n-]n1 ZINC000820161593 607398265 /nfs/dbraw/zinc/39/82/65/607398265.db2.gz XSMDSDAYPGSERG-CQSZACIVSA-N -1 3 383.477 3.774 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000736321862 599828235 /nfs/dbraw/zinc/82/82/35/599828235.db2.gz LKYQSFOYLWANTQ-UHFFFAOYSA-N -1 3 395.503 3.662 20 0 GHADHM COc1ccc([C@H](NCc2ccc(C(=O)Nc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000737971555 599858875 /nfs/dbraw/zinc/85/88/75/599858875.db2.gz RWQJNYASVJLPIS-NRFANRHFSA-N -1 3 390.439 3.863 20 0 GHADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821717684 607404131 /nfs/dbraw/zinc/40/41/31/607404131.db2.gz UHVSXVPDCZVLHU-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821717684 607404133 /nfs/dbraw/zinc/40/41/33/607404133.db2.gz UHVSXVPDCZVLHU-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)cs2)o1 ZINC000826273887 607407475 /nfs/dbraw/zinc/40/74/75/607407475.db2.gz YOBKMNLQFKEZDW-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)cs2)o1 ZINC000826273887 607407476 /nfs/dbraw/zinc/40/74/76/607407476.db2.gz YOBKMNLQFKEZDW-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000738828772 599932386 /nfs/dbraw/zinc/93/23/86/599932386.db2.gz CSSUNSSRZGWJDC-SNVBAGLBSA-N -1 3 383.279 3.703 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c12 ZINC000826254065 607411232 /nfs/dbraw/zinc/41/12/32/607411232.db2.gz SERSVLFZJGEBEN-UHFFFAOYSA-N -1 3 392.419 3.500 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c12 ZINC000826254065 607411234 /nfs/dbraw/zinc/41/12/34/607411234.db2.gz SERSVLFZJGEBEN-UHFFFAOYSA-N -1 3 392.419 3.500 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1Cl ZINC000823942558 607415515 /nfs/dbraw/zinc/41/55/15/607415515.db2.gz GHQXVZRLUKXLLI-QBFSEMIESA-N -1 3 379.851 3.729 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1Cl ZINC000823942558 607415517 /nfs/dbraw/zinc/41/55/17/607415517.db2.gz GHQXVZRLUKXLLI-QBFSEMIESA-N -1 3 379.851 3.729 20 0 GHADHM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000737875064 600066238 /nfs/dbraw/zinc/06/62/38/600066238.db2.gz YCDIRNLGHNKDEC-CSKARUKUSA-N -1 3 395.455 3.611 20 0 GHADHM O=C([O-])c1ccc(CCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000739250982 600068873 /nfs/dbraw/zinc/06/88/73/600068873.db2.gz BWMLTSFOBHXEAX-NRFANRHFSA-N -1 3 380.488 3.661 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1sccc1SC(F)F ZINC000821749814 607417362 /nfs/dbraw/zinc/41/73/62/607417362.db2.gz ZAZDSVYCGZTEGD-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1sccc1SC(F)F ZINC000821749814 607417363 /nfs/dbraw/zinc/41/73/63/607417363.db2.gz ZAZDSVYCGZTEGD-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)cc1-c1nnn[n-]1 ZINC000820166308 607424162 /nfs/dbraw/zinc/42/41/62/607424162.db2.gz VRPKBZFSRAZFCP-KRWDZBQOSA-N -1 3 398.492 3.988 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)cc1-c1nn[n-]n1 ZINC000820166308 607424165 /nfs/dbraw/zinc/42/41/65/607424165.db2.gz VRPKBZFSRAZFCP-KRWDZBQOSA-N -1 3 398.492 3.988 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421479 607424886 /nfs/dbraw/zinc/42/48/86/607424886.db2.gz JWKPDQRYHPMROW-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421479 607424887 /nfs/dbraw/zinc/42/48/87/607424887.db2.gz JWKPDQRYHPMROW-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824449934 607421890 /nfs/dbraw/zinc/42/18/90/607421890.db2.gz QZNAHXOBALHFLA-ZDUSSCGKSA-N -1 3 397.479 3.540 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824449934 607421891 /nfs/dbraw/zinc/42/18/91/607421891.db2.gz QZNAHXOBALHFLA-ZDUSSCGKSA-N -1 3 397.479 3.540 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738518854 600263021 /nfs/dbraw/zinc/26/30/21/600263021.db2.gz PDEJNNDHKCZKEN-RDJZCZTQSA-N -1 3 384.451 3.724 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822236121 607434061 /nfs/dbraw/zinc/43/40/61/607434061.db2.gz KQLAYRWGEYMYLQ-UHFFFAOYSA-N -1 3 386.481 3.688 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822236121 607434062 /nfs/dbraw/zinc/43/40/62/607434062.db2.gz KQLAYRWGEYMYLQ-UHFFFAOYSA-N -1 3 386.481 3.688 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824040655 607434455 /nfs/dbraw/zinc/43/44/55/607434455.db2.gz RZAJVEHATUGJEQ-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824040655 607434457 /nfs/dbraw/zinc/43/44/57/607434457.db2.gz RZAJVEHATUGJEQ-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)cc1Br ZINC000826250149 607443951 /nfs/dbraw/zinc/44/39/51/607443951.db2.gz MYRHMHHCFIJYSE-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)cc1Br ZINC000826250149 607443953 /nfs/dbraw/zinc/44/39/53/607443953.db2.gz MYRHMHHCFIJYSE-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(N[C@@H](CC1CC1)c1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826426628 607459145 /nfs/dbraw/zinc/45/91/45/607459145.db2.gz RYIBIWVOPZPVJH-IBGZPJMESA-N -1 3 388.475 3.696 20 0 GHADHM O=C(N[C@@H](CC1CC1)c1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826426628 607459146 /nfs/dbraw/zinc/45/91/46/607459146.db2.gz RYIBIWVOPZPVJH-IBGZPJMESA-N -1 3 388.475 3.696 20 0 GHADHM O=C([O-])[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1F ZINC000833168196 600750907 /nfs/dbraw/zinc/75/09/07/600750907.db2.gz UIQHCSRWQPJMCX-GUYCJALGSA-N -1 3 382.357 3.839 20 0 GHADHM COc1cc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc(OC)c1 ZINC000831990077 600819651 /nfs/dbraw/zinc/81/96/51/600819651.db2.gz YUCNAVWEHOWHTQ-UHFFFAOYSA-N -1 3 379.840 3.566 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000832914754 600867562 /nfs/dbraw/zinc/86/75/62/600867562.db2.gz BBYGSKALGASABQ-LJQANCHMSA-N -1 3 381.476 3.822 20 0 GHADHM CN(C(=O)Nc1cccc(NC(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830507328 601129437 /nfs/dbraw/zinc/12/94/37/601129437.db2.gz IYAZKVPPGODCQG-IBGZPJMESA-N -1 3 382.464 3.905 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000830513453 601130914 /nfs/dbraw/zinc/13/09/14/601130914.db2.gz AYPQORMTYLQCAN-FQEVSTJZSA-N -1 3 396.491 3.929 20 0 GHADHM COc1ccc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826192146 607494729 /nfs/dbraw/zinc/49/47/29/607494729.db2.gz AXEQJECYJFCKGJ-INIZCTEOSA-N -1 3 377.370 3.611 20 0 GHADHM COc1ccc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826192146 607494730 /nfs/dbraw/zinc/49/47/30/607494730.db2.gz AXEQJECYJFCKGJ-INIZCTEOSA-N -1 3 377.370 3.611 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nnn[n-]1 ZINC000821465572 607500909 /nfs/dbraw/zinc/50/09/09/607500909.db2.gz JUZLUXQTSOJRQE-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nn[n-]n1 ZINC000821465572 607500911 /nfs/dbraw/zinc/50/09/11/607500911.db2.gz JUZLUXQTSOJRQE-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCOc1ccc(-c2nc(CN(C)Cc3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000825620649 607511533 /nfs/dbraw/zinc/51/15/33/607511533.db2.gz FYNBPYVOTNCFHF-UHFFFAOYSA-N -1 3 390.447 3.552 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000826051063 601651014 /nfs/dbraw/zinc/65/10/14/601651014.db2.gz ACKGPUWJJJVVIB-PIGZYNQJSA-N -1 3 381.259 3.984 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000830923880 601719734 /nfs/dbraw/zinc/71/97/34/601719734.db2.gz VROGPBULJIMGSD-UHFFFAOYSA-N -1 3 395.503 3.832 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(CCC(=O)[O-])CC1 ZINC000662218493 601845447 /nfs/dbraw/zinc/84/54/47/601845447.db2.gz PFJWJZYYFJGBKS-DLBZAZTESA-N -1 3 382.504 3.982 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC3(CC2)OCc2ccccc23)c(Cl)c1 ZINC000833321088 601911269 /nfs/dbraw/zinc/91/12/69/601911269.db2.gz HSZIFRMCJYFFEZ-UHFFFAOYSA-N -1 3 387.863 3.939 20 0 GHADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000740729120 601926172 /nfs/dbraw/zinc/92/61/72/601926172.db2.gz LAQIRAAPHYXJLQ-LEWJYISDSA-N -1 3 399.535 3.810 20 0 GHADHM COc1ccc(CSCc2cc(-c3ccccc3)on2)cc1-c1nnn[n-]1 ZINC000826207784 607534200 /nfs/dbraw/zinc/53/42/00/607534200.db2.gz CZQFFWXGGMWODC-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1ccc(CSCc2cc(-c3ccccc3)on2)cc1-c1nn[n-]n1 ZINC000826207784 607534202 /nfs/dbraw/zinc/53/42/02/607534202.db2.gz CZQFFWXGGMWODC-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1ccc(CSCc2csc(-c3ccccn3)n2)cc1-c1nnn[n-]1 ZINC000826208085 607534214 /nfs/dbraw/zinc/53/42/14/607534214.db2.gz RUOQVGYLSUMCCT-UHFFFAOYSA-N -1 3 396.501 3.827 20 0 GHADHM COc1ccc(CSCc2csc(-c3ccccn3)n2)cc1-c1nn[n-]n1 ZINC000826208085 607534215 /nfs/dbraw/zinc/53/42/15/607534215.db2.gz RUOQVGYLSUMCCT-UHFFFAOYSA-N -1 3 396.501 3.827 20 0 GHADHM COc1ccc(CSCc2nccn2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826208104 607536226 /nfs/dbraw/zinc/53/62/26/607536226.db2.gz SUAGOJRSVLUSRP-UHFFFAOYSA-N -1 3 392.488 3.554 20 0 GHADHM COc1ccc(CSCc2nccn2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826208104 607536228 /nfs/dbraw/zinc/53/62/28/607536228.db2.gz SUAGOJRSVLUSRP-UHFFFAOYSA-N -1 3 392.488 3.554 20 0 GHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827710614 601974609 /nfs/dbraw/zinc/97/46/09/601974609.db2.gz SZEHGEFUFZRXDN-MLCYQJTMSA-N -1 3 393.270 3.989 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826200313 607553155 /nfs/dbraw/zinc/55/31/55/607553155.db2.gz JVFNAOVTQSNMPH-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826200313 607553157 /nfs/dbraw/zinc/55/31/57/607553157.db2.gz JVFNAOVTQSNMPH-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312646633 602362730 /nfs/dbraw/zinc/36/27/30/602362730.db2.gz DYVJLOMPGHKBDC-MRXNPFEDSA-N -1 3 387.867 3.776 20 0 GHADHM CN(Cc1ccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000830830518 602365819 /nfs/dbraw/zinc/36/58/19/602365819.db2.gz GJNJWJZTDNRXBF-HXUWFJFHSA-N -1 3 396.491 3.535 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825782349 607565571 /nfs/dbraw/zinc/56/55/71/607565571.db2.gz DRJXEWQGYGBZST-HNNXBMFYSA-N -1 3 399.886 3.849 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825782349 607565572 /nfs/dbraw/zinc/56/55/72/607565572.db2.gz DRJXEWQGYGBZST-HNNXBMFYSA-N -1 3 399.886 3.849 20 0 GHADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739611772 602599963 /nfs/dbraw/zinc/59/99/63/602599963.db2.gz CAEXJORYZZZRLK-UHFFFAOYSA-N -1 3 392.406 3.650 20 0 GHADHM COc1ccc(COC(=O)c2cc(Cl)sc2Cl)cc1-c1nnn[n-]1 ZINC000826205588 607599308 /nfs/dbraw/zinc/59/93/08/607599308.db2.gz BQAOFKQIEPYTLW-UHFFFAOYSA-N -1 3 385.232 3.601 20 0 GHADHM COc1ccc(COC(=O)c2cc(Cl)sc2Cl)cc1-c1nn[n-]n1 ZINC000826205588 607599310 /nfs/dbraw/zinc/59/93/10/607599310.db2.gz BQAOFKQIEPYTLW-UHFFFAOYSA-N -1 3 385.232 3.601 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000740708117 603043513 /nfs/dbraw/zinc/04/35/13/603043513.db2.gz YZEGBADRSSQCMT-SFHVURJKSA-N -1 3 386.427 3.874 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825918204 607618072 /nfs/dbraw/zinc/61/80/72/607618072.db2.gz APPWDNVOWFQKTA-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825918204 607618074 /nfs/dbraw/zinc/61/80/74/607618074.db2.gz APPWDNVOWFQKTA-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CN(C)Cc1ccc(-c2noc(CC[C@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000828042877 603639960 /nfs/dbraw/zinc/63/99/60/603639960.db2.gz SRCIENSCCGLHHV-SFHVURJKSA-N -1 3 380.448 3.740 20 0 GHADHM S=C(NC1CCCCC1)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000826511459 607649121 /nfs/dbraw/zinc/64/91/21/607649121.db2.gz RCCXHCJTCZBDID-UHFFFAOYSA-N -1 3 384.553 3.819 20 0 GHADHM S=C(NC1CCCCC1)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000826511459 607649123 /nfs/dbraw/zinc/64/91/23/607649123.db2.gz RCCXHCJTCZBDID-UHFFFAOYSA-N -1 3 384.553 3.819 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000826244802 607653321 /nfs/dbraw/zinc/65/33/21/607653321.db2.gz DIBFUMSWEDGFPP-MRXNPFEDSA-N -1 3 390.472 3.762 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000826244802 607653322 /nfs/dbraw/zinc/65/33/22/607653322.db2.gz DIBFUMSWEDGFPP-MRXNPFEDSA-N -1 3 390.472 3.762 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826316203 607660944 /nfs/dbraw/zinc/66/09/44/607660944.db2.gz HEMAMOPUNAWVBH-IAGOWNOFSA-N -1 3 379.489 3.531 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826316203 607660946 /nfs/dbraw/zinc/66/09/46/607660946.db2.gz HEMAMOPUNAWVBH-IAGOWNOFSA-N -1 3 379.489 3.531 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000826244874 607673805 /nfs/dbraw/zinc/67/38/05/607673805.db2.gz GFQBDUXGWTYJJQ-UHFFFAOYSA-N -1 3 386.459 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000826244874 607673806 /nfs/dbraw/zinc/67/38/06/607673806.db2.gz GFQBDUXGWTYJJQ-UHFFFAOYSA-N -1 3 386.459 3.676 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826316058 607684099 /nfs/dbraw/zinc/68/40/99/607684099.db2.gz BTIWKNXQKWSWTP-MNOVXSKESA-N -1 3 391.403 3.580 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826316058 607684101 /nfs/dbraw/zinc/68/41/01/607684101.db2.gz BTIWKNXQKWSWTP-MNOVXSKESA-N -1 3 391.403 3.580 20 0 GHADHM COc1ccccc1NC(=O)C1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000832623964 604381795 /nfs/dbraw/zinc/38/17/95/604381795.db2.gz XQMWNNLKXWVYMH-AWEZNQCLSA-N -1 3 386.448 3.707 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824804036 607697422 /nfs/dbraw/zinc/69/74/22/607697422.db2.gz ZBCRBOYWSWVNAY-KRWDZBQOSA-N -1 3 396.539 3.512 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824804036 607697423 /nfs/dbraw/zinc/69/74/23/607697423.db2.gz ZBCRBOYWSWVNAY-KRWDZBQOSA-N -1 3 396.539 3.512 20 0 GHADHM C[C@@]1(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833567958 604818805 /nfs/dbraw/zinc/81/88/05/604818805.db2.gz BMZFVCLLRJZONL-SUMWQHHRSA-N -1 3 383.370 3.879 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000652500542 604942739 /nfs/dbraw/zinc/94/27/39/604942739.db2.gz XLLVKBGEAAQPAP-LBPRGKRZSA-N -1 3 384.270 3.501 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833546930 604943189 /nfs/dbraw/zinc/94/31/89/604943189.db2.gz MVMCGXVVLPSJGR-RDJZCZTQSA-N -1 3 386.492 3.775 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(CCC(F)(F)F)cc1 ZINC000826467385 607726023 /nfs/dbraw/zinc/72/60/23/607726023.db2.gz UFWKFNVNMQKXRC-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(CCC(F)(F)F)cc1 ZINC000826467385 607726025 /nfs/dbraw/zinc/72/60/25/607726025.db2.gz UFWKFNVNMQKXRC-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393593 607733176 /nfs/dbraw/zinc/73/31/76/607733176.db2.gz TXTKEIUSPRDUOC-RNCFNFMXSA-N -1 3 383.399 3.871 20 0 GHADHM CC1(C)CN([C@@H](CNCc2ccc(C(=O)[O-])o2)c2ccc(Cl)cc2)CCO1 ZINC000833560432 605091225 /nfs/dbraw/zinc/09/12/25/605091225.db2.gz STKSIFQGTPJUSX-KRWDZBQOSA-N -1 3 392.883 3.573 20 0 GHADHM COc1ccc([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1NC(C)=O ZINC000829301191 605119913 /nfs/dbraw/zinc/11/99/13/605119913.db2.gz AYNBUHYDWLJVGC-KGLIPLIRSA-N -1 3 385.464 3.833 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000833415065 605175820 /nfs/dbraw/zinc/17/58/20/605175820.db2.gz USDHISSXANIZGH-NRFANRHFSA-N -1 3 395.503 3.667 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000833414046 605180542 /nfs/dbraw/zinc/18/05/42/605180542.db2.gz PRDXKKVTBSQYDD-RTWAWAEBSA-N -1 3 380.488 3.696 20 0 GHADHM C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824513607 607745516 /nfs/dbraw/zinc/74/55/16/607745516.db2.gz DBKVYBVOVKTYDY-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513607 607745517 /nfs/dbraw/zinc/74/55/17/607745517.db2.gz DBKVYBVOVKTYDY-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833634601 605296606 /nfs/dbraw/zinc/29/66/06/605296606.db2.gz NPFDSFBWHSUWBC-KRWDZBQOSA-N -1 3 380.488 3.566 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cc(C(=O)[O-])ccc3F)C[C@@H]21 ZINC000833438601 605428493 /nfs/dbraw/zinc/42/84/93/605428493.db2.gz LDGAZGUWGMSOGM-QILLFSRXSA-N -1 3 392.471 3.649 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1-c1nnn[n-]1 ZINC000825539969 607757719 /nfs/dbraw/zinc/75/77/19/607757719.db2.gz UAIMTCRCKNEFBS-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000825539969 607757720 /nfs/dbraw/zinc/75/77/20/607757720.db2.gz UAIMTCRCKNEFBS-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000825620498 607762094 /nfs/dbraw/zinc/76/20/94/607762094.db2.gz CHYXPKYEPMUDBI-INIZCTEOSA-N -1 3 398.854 3.898 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000825620498 607762095 /nfs/dbraw/zinc/76/20/95/607762095.db2.gz CHYXPKYEPMUDBI-INIZCTEOSA-N -1 3 398.854 3.898 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824936764 607770134 /nfs/dbraw/zinc/77/01/34/607770134.db2.gz LTXXZSCVXPCPIW-MLGOLLRUSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824936764 607770135 /nfs/dbraw/zinc/77/01/35/607770135.db2.gz LTXXZSCVXPCPIW-MLGOLLRUSA-N -1 3 398.492 3.524 20 0 GHADHM O=C(CCc1ccsc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409428 607771439 /nfs/dbraw/zinc/77/14/39/607771439.db2.gz YLQDNMKQIYIZMF-UHFFFAOYSA-N -1 3 382.474 3.623 20 0 GHADHM O=C(CCc1ccsc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409428 607771440 /nfs/dbraw/zinc/77/14/40/607771440.db2.gz YLQDNMKQIYIZMF-UHFFFAOYSA-N -1 3 382.474 3.623 20 0 GHADHM Cc1ccc([C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)N2CCOCC2)s1 ZINC000833748702 605832740 /nfs/dbraw/zinc/83/27/40/605832740.db2.gz FIKZVXOULIQHPG-QGZVFWFLSA-N -1 3 394.924 3.571 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000833694593 605842062 /nfs/dbraw/zinc/84/20/62/605842062.db2.gz OGMLXBIXWXIFFN-SJPCQFCGSA-N -1 3 392.471 3.886 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822486356 606031652 /nfs/dbraw/zinc/03/16/52/606031652.db2.gz HKJXIDCLVFCMCH-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822486356 606031656 /nfs/dbraw/zinc/03/16/56/606031656.db2.gz HKJXIDCLVFCMCH-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM CN(C)c1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588126 606095559 /nfs/dbraw/zinc/09/55/59/606095559.db2.gz CDQFXTWVAPDLER-UHFFFAOYSA-N -1 3 396.458 3.641 20 0 GHADHM CN(C)c1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588126 606095564 /nfs/dbraw/zinc/09/55/64/606095564.db2.gz CDQFXTWVAPDLER-UHFFFAOYSA-N -1 3 396.458 3.641 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)n(C)n1 ZINC000820187728 606102370 /nfs/dbraw/zinc/10/23/70/606102370.db2.gz OKPBBWGOCZBNPB-UHFFFAOYSA-N -1 3 393.476 3.704 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)n(C)n1 ZINC000820187728 606102372 /nfs/dbraw/zinc/10/23/72/606102372.db2.gz OKPBBWGOCZBNPB-UHFFFAOYSA-N -1 3 393.476 3.704 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)nn1C ZINC000820187857 606102743 /nfs/dbraw/zinc/10/27/43/606102743.db2.gz WHZJCVSQFMMRTG-UHFFFAOYSA-N -1 3 399.524 3.696 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)nn1C ZINC000820187857 606102746 /nfs/dbraw/zinc/10/27/46/606102746.db2.gz WHZJCVSQFMMRTG-UHFFFAOYSA-N -1 3 399.524 3.696 20 0 GHADHM Cc1ccc(CCC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC000822235012 606103650 /nfs/dbraw/zinc/10/36/50/606103650.db2.gz OQRHFZNSWMWPNA-UHFFFAOYSA-N -1 3 377.404 3.527 20 0 GHADHM Cc1ccc(CCC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC000822235012 606103653 /nfs/dbraw/zinc/10/36/53/606103653.db2.gz OQRHFZNSWMWPNA-UHFFFAOYSA-N -1 3 377.404 3.527 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000822229077 606107899 /nfs/dbraw/zinc/10/78/99/606107899.db2.gz LRLAISXASGSNPB-CQSZACIVSA-N -1 3 398.536 3.793 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000822229077 606107900 /nfs/dbraw/zinc/10/79/00/606107900.db2.gz LRLAISXASGSNPB-CQSZACIVSA-N -1 3 398.536 3.793 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C(C)(C)C1 ZINC000820744636 606115104 /nfs/dbraw/zinc/11/51/04/606115104.db2.gz ZEXSRXLNUCMSSR-CYBMUJFWSA-N -1 3 393.451 3.706 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000821762721 606115580 /nfs/dbraw/zinc/11/55/80/606115580.db2.gz PMPUGNRSGUEUBN-KPZWWZAWSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000821762721 606115582 /nfs/dbraw/zinc/11/55/82/606115582.db2.gz PMPUGNRSGUEUBN-KPZWWZAWSA-N -1 3 396.426 3.629 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822230665 606116099 /nfs/dbraw/zinc/11/60/99/606116099.db2.gz NAYMIQARWPFOCB-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822230665 606116100 /nfs/dbraw/zinc/11/61/00/606116100.db2.gz NAYMIQARWPFOCB-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823493146 606121091 /nfs/dbraw/zinc/12/10/91/606121091.db2.gz FXAXKPHCMYULPD-QZTJIDSGSA-N -1 3 388.475 3.873 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819899347 606154764 /nfs/dbraw/zinc/15/47/64/606154764.db2.gz SGKHDCNFIIRONE-UHFFFAOYSA-N -1 3 396.426 3.556 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819899347 606154765 /nfs/dbraw/zinc/15/47/65/606154765.db2.gz SGKHDCNFIIRONE-UHFFFAOYSA-N -1 3 396.426 3.556 20 0 GHADHM FC(F)(F)c1ccc(NCc2cccc(Cn3cccn3)c2)c(-c2nnn[n-]2)c1 ZINC000822729217 606176177 /nfs/dbraw/zinc/17/61/77/606176177.db2.gz WKCCXEQJHKNSEL-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2cccc(Cn3cccn3)c2)c(-c2nn[n-]n2)c1 ZINC000822729217 606176178 /nfs/dbraw/zinc/17/61/78/606176178.db2.gz WKCCXEQJHKNSEL-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356085 606180346 /nfs/dbraw/zinc/18/03/46/606180346.db2.gz JBRDKOSXBIWYOB-OAHLLOKOSA-N -1 3 381.505 3.628 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356085 606180347 /nfs/dbraw/zinc/18/03/47/606180347.db2.gz JBRDKOSXBIWYOB-OAHLLOKOSA-N -1 3 381.505 3.628 20 0 GHADHM C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513240 606189339 /nfs/dbraw/zinc/18/93/39/606189339.db2.gz YETMAOLRHVTDQL-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513240 606189340 /nfs/dbraw/zinc/18/93/40/606189340.db2.gz YETMAOLRHVTDQL-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM Cc1sc(NC(=O)CN2CCC[C@H]2c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000822299747 606200708 /nfs/dbraw/zinc/20/07/08/606200708.db2.gz UDBMXXSZJHKERS-INIZCTEOSA-N -1 3 396.520 3.629 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000822206028 606223168 /nfs/dbraw/zinc/22/31/68/606223168.db2.gz RKDCPXGTQHTUAV-OALUTQOASA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000822206028 606223170 /nfs/dbraw/zinc/22/31/70/606223170.db2.gz RKDCPXGTQHTUAV-OALUTQOASA-N -1 3 391.450 3.894 20 0 GHADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000821082386 606235602 /nfs/dbraw/zinc/23/56/02/606235602.db2.gz JQKZFAYAVOBQSE-ZDUSSCGKSA-N -1 3 378.436 3.565 20 0 GHADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000821082386 606235604 /nfs/dbraw/zinc/23/56/04/606235604.db2.gz JQKZFAYAVOBQSE-ZDUSSCGKSA-N -1 3 378.436 3.565 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822979033 606263898 /nfs/dbraw/zinc/26/38/98/606263898.db2.gz VQUCQDNKZSVELI-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822979033 606263900 /nfs/dbraw/zinc/26/39/00/606263900.db2.gz VQUCQDNKZSVELI-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822229492 606266727 /nfs/dbraw/zinc/26/67/27/606266727.db2.gz VVGOXHFPSZJOQL-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822229492 606266728 /nfs/dbraw/zinc/26/67/28/606266728.db2.gz VVGOXHFPSZJOQL-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820519407 606272357 /nfs/dbraw/zinc/27/23/57/606272357.db2.gz UBDUKJWMBQCODI-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820519407 606272358 /nfs/dbraw/zinc/27/23/58/606272358.db2.gz UBDUKJWMBQCODI-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM Cc1nc(C)c(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000822432096 606274746 /nfs/dbraw/zinc/27/47/46/606274746.db2.gz WUUQUEBYDGXIEJ-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(C)c(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000822432096 606274747 /nfs/dbraw/zinc/27/47/47/606274747.db2.gz WUUQUEBYDGXIEJ-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640332 606298375 /nfs/dbraw/zinc/29/83/75/606298375.db2.gz GIRJQXIIPXMRFG-AUUYWEPGSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640332 606298376 /nfs/dbraw/zinc/29/83/76/606298376.db2.gz GIRJQXIIPXMRFG-AUUYWEPGSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641065 606298512 /nfs/dbraw/zinc/29/85/12/606298512.db2.gz VNBUZJUHWOSSQU-XOBRGWDASA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641065 606298513 /nfs/dbraw/zinc/29/85/13/606298513.db2.gz VNBUZJUHWOSSQU-XOBRGWDASA-N -1 3 387.443 3.585 20 0 GHADHM COc1ccc(NC(=O)[C@H](Sc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821831824 606324397 /nfs/dbraw/zinc/32/43/97/606324397.db2.gz OCNRETNTBGGDCR-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccc(NC(=O)[C@H](Sc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821831824 606324399 /nfs/dbraw/zinc/32/43/99/606324399.db2.gz OCNRETNTBGGDCR-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823368015 606325606 /nfs/dbraw/zinc/32/56/06/606325606.db2.gz RCQWLLXWKPWNKW-UHFFFAOYSA-N -1 3 384.321 3.531 20 0 GHADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823368015 606325608 /nfs/dbraw/zinc/32/56/08/606325608.db2.gz RCQWLLXWKPWNKW-UHFFFAOYSA-N -1 3 384.321 3.531 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821716593 606327554 /nfs/dbraw/zinc/32/75/54/606327554.db2.gz AYTZYANVWPSUQJ-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821716593 606327556 /nfs/dbraw/zinc/32/75/56/606327556.db2.gz AYTZYANVWPSUQJ-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM CC[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820913515 606328491 /nfs/dbraw/zinc/32/84/91/606328491.db2.gz HNUYLQCKBUMZOB-MRXNPFEDSA-N -1 3 387.896 3.880 20 0 GHADHM CC[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820913515 606328493 /nfs/dbraw/zinc/32/84/93/606328493.db2.gz HNUYLQCKBUMZOB-MRXNPFEDSA-N -1 3 387.896 3.880 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820503040 606339150 /nfs/dbraw/zinc/33/91/50/606339150.db2.gz XLQJDAHUXQLRFA-ZDUSSCGKSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820503040 606339151 /nfs/dbraw/zinc/33/91/51/606339151.db2.gz XLQJDAHUXQLRFA-ZDUSSCGKSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512169 606339201 /nfs/dbraw/zinc/33/92/01/606339201.db2.gz IAKQKKKTDRMZTP-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512169 606339203 /nfs/dbraw/zinc/33/92/03/606339203.db2.gz IAKQKKKTDRMZTP-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820503039 606339206 /nfs/dbraw/zinc/33/92/06/606339206.db2.gz XLQJDAHUXQLRFA-CYBMUJFWSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820503039 606339208 /nfs/dbraw/zinc/33/92/08/606339208.db2.gz XLQJDAHUXQLRFA-CYBMUJFWSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512116 606349378 /nfs/dbraw/zinc/34/93/78/606349378.db2.gz HKCYLEJBKVWVQE-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512116 606349380 /nfs/dbraw/zinc/34/93/80/606349380.db2.gz HKCYLEJBKVWVQE-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000822331995 606351743 /nfs/dbraw/zinc/35/17/43/606351743.db2.gz KHYQUQKXESIREV-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000822331995 606351744 /nfs/dbraw/zinc/35/17/44/606351744.db2.gz KHYQUQKXESIREV-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506817 606352747 /nfs/dbraw/zinc/35/27/47/606352747.db2.gz CHTXJFYPGFGXEH-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506817 606352750 /nfs/dbraw/zinc/35/27/50/606352750.db2.gz CHTXJFYPGFGXEH-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512335 606353143 /nfs/dbraw/zinc/35/31/43/606353143.db2.gz KIDLODKBWRVQPL-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512335 606353145 /nfs/dbraw/zinc/35/31/45/606353145.db2.gz KIDLODKBWRVQPL-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496105 606357575 /nfs/dbraw/zinc/35/75/75/606357575.db2.gz LNHVUEQVAPPGAC-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496105 606357577 /nfs/dbraw/zinc/35/75/77/606357577.db2.gz LNHVUEQVAPPGAC-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM O=C(N[C@@H]1CCCSC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823150861 606365174 /nfs/dbraw/zinc/36/51/74/606365174.db2.gz UXVQOVJLRVZOQN-CYBMUJFWSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(N[C@@H]1CCCSC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823150861 606365176 /nfs/dbraw/zinc/36/51/76/606365176.db2.gz UXVQOVJLRVZOQN-CYBMUJFWSA-N -1 3 397.529 3.643 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454020 606392516 /nfs/dbraw/zinc/39/25/16/606392516.db2.gz CMRJCPYUPGKCIH-PWSUYJOCSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454020 606392519 /nfs/dbraw/zinc/39/25/19/606392519.db2.gz CMRJCPYUPGKCIH-PWSUYJOCSA-N -1 3 396.973 3.871 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822486290 606398630 /nfs/dbraw/zinc/39/86/30/606398630.db2.gz FDKRNWBKHYMCGB-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822486290 606398631 /nfs/dbraw/zinc/39/86/31/606398631.db2.gz FDKRNWBKHYMCGB-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820461616 606419099 /nfs/dbraw/zinc/41/90/99/606419099.db2.gz NVXHEMQZASVZEV-WPPNPWJKSA-N -1 3 399.669 3.756 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820461616 606419101 /nfs/dbraw/zinc/41/91/01/606419101.db2.gz NVXHEMQZASVZEV-WPPNPWJKSA-N -1 3 399.669 3.756 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](O)c1c(Cl)cccc1Cl ZINC000820461613 606419124 /nfs/dbraw/zinc/41/91/24/606419124.db2.gz NVXHEMQZASVZEV-CPFSXVBKSA-N -1 3 399.669 3.756 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](O)c1c(Cl)cccc1Cl ZINC000820461613 606419126 /nfs/dbraw/zinc/41/91/26/606419126.db2.gz NVXHEMQZASVZEV-CPFSXVBKSA-N -1 3 399.669 3.756 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822567394 606422895 /nfs/dbraw/zinc/42/28/95/606422895.db2.gz AAIMQIUOSAZVNT-UHFFFAOYSA-N -1 3 378.823 3.738 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822567394 606422897 /nfs/dbraw/zinc/42/28/97/606422897.db2.gz AAIMQIUOSAZVNT-UHFFFAOYSA-N -1 3 378.823 3.738 20 0 GHADHM O=C(c1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000823488844 606449712 /nfs/dbraw/zinc/44/97/12/606449712.db2.gz VFYAFFUZMBPMPP-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000823488844 606449714 /nfs/dbraw/zinc/44/97/14/606449714.db2.gz VFYAFFUZMBPMPP-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)c1nc2ccccc2s1 ZINC000820507456 606468279 /nfs/dbraw/zinc/46/82/79/606468279.db2.gz HNOFNJZDCPWFJR-UWVGGRQHSA-N -1 3 385.474 3.887 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)c1nc2ccccc2s1 ZINC000820507456 606468280 /nfs/dbraw/zinc/46/82/80/606468280.db2.gz HNOFNJZDCPWFJR-UWVGGRQHSA-N -1 3 385.474 3.887 20 0 GHADHM O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375727 606479319 /nfs/dbraw/zinc/47/93/19/606479319.db2.gz HQWPNGAAUOESFG-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375727 606479321 /nfs/dbraw/zinc/47/93/21/606479321.db2.gz HQWPNGAAUOESFG-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)cs3)oc21 ZINC000821431018 606485373 /nfs/dbraw/zinc/48/53/73/606485373.db2.gz KAZOLXDWNCXQHA-JTQLQIEISA-N -1 3 383.433 3.564 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)cs3)oc21 ZINC000821431018 606485374 /nfs/dbraw/zinc/48/53/74/606485374.db2.gz KAZOLXDWNCXQHA-JTQLQIEISA-N -1 3 383.433 3.564 20 0 GHADHM CCCCCN(Cc1ccc(F)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821056393 606495220 /nfs/dbraw/zinc/49/52/20/606495220.db2.gz PRXXLAFLVBORQS-UHFFFAOYSA-N -1 3 381.455 3.767 20 0 GHADHM CCCCCN(Cc1ccc(F)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821056393 606495221 /nfs/dbraw/zinc/49/52/21/606495221.db2.gz PRXXLAFLVBORQS-UHFFFAOYSA-N -1 3 381.455 3.767 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820564310 606526732 /nfs/dbraw/zinc/52/67/32/606526732.db2.gz ZIRMMRBSOQTVLX-WDEREUQCSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820564310 606526735 /nfs/dbraw/zinc/52/67/35/606526735.db2.gz ZIRMMRBSOQTVLX-WDEREUQCSA-N -1 3 375.885 3.846 20 0 GHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821614864 606535349 /nfs/dbraw/zinc/53/53/49/606535349.db2.gz XRJWSKIBIKOCLA-UHFFFAOYSA-N -1 3 398.470 3.684 20 0 GHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821614864 606535350 /nfs/dbraw/zinc/53/53/50/606535350.db2.gz XRJWSKIBIKOCLA-UHFFFAOYSA-N -1 3 398.470 3.684 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821066157 606545726 /nfs/dbraw/zinc/54/57/26/606545726.db2.gz QZHNCAKROPTOSV-UHFFFAOYSA-N -1 3 383.883 3.892 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821066157 606545728 /nfs/dbraw/zinc/54/57/28/606545728.db2.gz QZHNCAKROPTOSV-UHFFFAOYSA-N -1 3 383.883 3.892 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000822194009 606549692 /nfs/dbraw/zinc/54/96/92/606549692.db2.gz DVUBNFBVRJHRBF-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000822194009 606549693 /nfs/dbraw/zinc/54/96/93/606549693.db2.gz DVUBNFBVRJHRBF-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823087141 606555619 /nfs/dbraw/zinc/55/56/19/606555619.db2.gz HUJPFYUMUANWLD-HXUWFJFHSA-N -1 3 386.459 3.644 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823087141 606555620 /nfs/dbraw/zinc/55/56/20/606555620.db2.gz HUJPFYUMUANWLD-HXUWFJFHSA-N -1 3 386.459 3.644 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821222478 606572855 /nfs/dbraw/zinc/57/28/55/606572855.db2.gz UQJZTRJTXICWIP-UHFFFAOYSA-N -1 3 398.470 3.520 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821222478 606572857 /nfs/dbraw/zinc/57/28/57/606572857.db2.gz UQJZTRJTXICWIP-UHFFFAOYSA-N -1 3 398.470 3.520 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NCC1(C)CC1 ZINC000822211866 606574618 /nfs/dbraw/zinc/57/46/18/606574618.db2.gz RLGQLLULZXZFGI-UHFFFAOYSA-N -1 3 378.436 3.889 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NCC1(C)CC1 ZINC000822211866 606574620 /nfs/dbraw/zinc/57/46/20/606574620.db2.gz RLGQLLULZXZFGI-UHFFFAOYSA-N -1 3 378.436 3.889 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823331882 606577125 /nfs/dbraw/zinc/57/71/25/606577125.db2.gz IEIZLMBUPTVQDG-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823331882 606577127 /nfs/dbraw/zinc/57/71/27/606577127.db2.gz IEIZLMBUPTVQDG-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000821859198 606602634 /nfs/dbraw/zinc/60/26/34/606602634.db2.gz MIAYMHCBQCCWMZ-ZDUSSCGKSA-N -1 3 382.468 3.564 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000821859198 606602636 /nfs/dbraw/zinc/60/26/36/606602636.db2.gz MIAYMHCBQCCWMZ-ZDUSSCGKSA-N -1 3 382.468 3.564 20 0 GHADHM c1csc(Oc2ccc(OCc3cn4ccccc4c3-c3nnn[n-]3)cc2)n1 ZINC000823809309 606617138 /nfs/dbraw/zinc/61/71/38/606617138.db2.gz KDQYJBGBOOOLMU-UHFFFAOYSA-N -1 3 390.428 3.947 20 0 GHADHM c1csc(Oc2ccc(OCc3cn4ccccc4c3-c3nn[n-]n3)cc2)n1 ZINC000823809309 606617140 /nfs/dbraw/zinc/61/71/40/606617140.db2.gz KDQYJBGBOOOLMU-UHFFFAOYSA-N -1 3 390.428 3.947 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CC(C)C1 ZINC000822205962 606620776 /nfs/dbraw/zinc/62/07/76/606620776.db2.gz OXMMIPWRSSYQOU-UHFFFAOYSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CC(C)C1 ZINC000822205962 606620778 /nfs/dbraw/zinc/62/07/78/606620778.db2.gz OXMMIPWRSSYQOU-UHFFFAOYSA-N -1 3 379.439 3.894 20 0 GHADHM O=C(CSCc1ccc(F)cc1F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823061192 606633169 /nfs/dbraw/zinc/63/31/69/606633169.db2.gz ZHQIJHSAWYPBBA-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1ccc(F)cc1F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823061192 606633170 /nfs/dbraw/zinc/63/31/70/606633170.db2.gz ZHQIJHSAWYPBBA-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM CCN(CC(=O)c1cc(C)n(C2CC2)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821169848 606646621 /nfs/dbraw/zinc/64/66/21/606646621.db2.gz GQTCBNNHLNCJAI-HNNXBMFYSA-N -1 3 392.507 3.886 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1c(F)cc(Br)cc1F ZINC000822744357 606656760 /nfs/dbraw/zinc/65/67/60/606656760.db2.gz QUNYKNMSNNPVBV-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1c(F)cc(Br)cc1F ZINC000822744357 606656761 /nfs/dbraw/zinc/65/67/61/606656761.db2.gz QUNYKNMSNNPVBV-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823350699 606661053 /nfs/dbraw/zinc/66/10/53/606661053.db2.gz XVCFPZFEOKINEU-RDTXWAMCSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823350699 606661054 /nfs/dbraw/zinc/66/10/54/606661054.db2.gz XVCFPZFEOKINEU-RDTXWAMCSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823332187 606665528 /nfs/dbraw/zinc/66/55/28/606665528.db2.gz LEWQDFPGQPDUQG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823332187 606665529 /nfs/dbraw/zinc/66/55/29/606665529.db2.gz LEWQDFPGQPDUQG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccccc1N1CCCCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823373245 606669050 /nfs/dbraw/zinc/66/90/50/606669050.db2.gz UNBSVXRTPVFAKV-UHFFFAOYSA-N -1 3 398.417 3.778 20 0 GHADHM O=C(Nc1ccccc1N1CCCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823373245 606669051 /nfs/dbraw/zinc/66/90/51/606669051.db2.gz UNBSVXRTPVFAKV-UHFFFAOYSA-N -1 3 398.417 3.778 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000821154056 606671817 /nfs/dbraw/zinc/67/18/17/606671817.db2.gz IDDDOWYMYRUSNR-UHFFFAOYSA-N -1 3 379.370 3.965 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000821154056 606671818 /nfs/dbraw/zinc/67/18/18/606671818.db2.gz IDDDOWYMYRUSNR-UHFFFAOYSA-N -1 3 379.370 3.965 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823337269 606674848 /nfs/dbraw/zinc/67/48/48/606674848.db2.gz JIFSAGZRANYOGX-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823337269 606674849 /nfs/dbraw/zinc/67/48/49/606674849.db2.gz JIFSAGZRANYOGX-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(C=C1CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822916896 606677701 /nfs/dbraw/zinc/67/77/01/606677701.db2.gz HUPMIBZFIHYBIO-UHFFFAOYSA-N -1 3 379.395 3.634 20 0 GHADHM O=C(C=C1CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822916896 606677702 /nfs/dbraw/zinc/67/77/02/606677702.db2.gz HUPMIBZFIHYBIO-UHFFFAOYSA-N -1 3 379.395 3.634 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc2ccccc2s1 ZINC000820384332 606678070 /nfs/dbraw/zinc/67/80/70/606678070.db2.gz BPNJFMAIGRFVCK-SECBINFHSA-N -1 3 385.399 3.851 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000820384332 606678071 /nfs/dbraw/zinc/67/80/71/606678071.db2.gz BPNJFMAIGRFVCK-SECBINFHSA-N -1 3 385.399 3.851 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233830 606681948 /nfs/dbraw/zinc/68/19/48/606681948.db2.gz WCKNWZGBWRWQAH-KRWDZBQOSA-N -1 3 383.402 3.821 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233830 606681949 /nfs/dbraw/zinc/68/19/49/606681949.db2.gz WCKNWZGBWRWQAH-KRWDZBQOSA-N -1 3 383.402 3.821 20 0 GHADHM CC(C)(C)Oc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819950256 606704309 /nfs/dbraw/zinc/70/43/09/606704309.db2.gz GPEBBLFCYHAWEJ-UHFFFAOYSA-N -1 3 391.435 3.706 20 0 GHADHM CC(C)(C)Oc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819950256 606704310 /nfs/dbraw/zinc/70/43/10/606704310.db2.gz GPEBBLFCYHAWEJ-UHFFFAOYSA-N -1 3 391.435 3.706 20 0 GHADHM CC[C@@H](C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820869555 606707104 /nfs/dbraw/zinc/70/71/04/606707104.db2.gz HRVPSUANVNVUNT-CYBMUJFWSA-N -1 3 377.452 3.501 20 0 GHADHM CC[C@@H](C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820869555 606707105 /nfs/dbraw/zinc/70/71/05/606707105.db2.gz HRVPSUANVNVUNT-CYBMUJFWSA-N -1 3 377.452 3.501 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000822197622 606723002 /nfs/dbraw/zinc/72/30/02/606723002.db2.gz INZLSBBZXGZXRB-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000822197622 606723004 /nfs/dbraw/zinc/72/30/04/606723004.db2.gz INZLSBBZXGZXRB-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc2sccc2c1 ZINC000823375924 606733325 /nfs/dbraw/zinc/73/33/25/606733325.db2.gz PTRWSLHNRGGRDC-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820508501 606759583 /nfs/dbraw/zinc/75/95/83/606759583.db2.gz QIRSIOYKBPJDCL-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820508501 606759584 /nfs/dbraw/zinc/75/95/84/606759584.db2.gz QIRSIOYKBPJDCL-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM Cc1ccccc1-c1cnc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)o1 ZINC000822345760 606770180 /nfs/dbraw/zinc/77/01/80/606770180.db2.gz QWXGPVIAOBBOJY-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM Cc1ccccc1-c1cnc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)o1 ZINC000822345760 606770182 /nfs/dbraw/zinc/77/01/82/606770182.db2.gz QWXGPVIAOBBOJY-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1OCCC ZINC000821128473 606775217 /nfs/dbraw/zinc/77/52/17/606775217.db2.gz UWFDDAJGOAYGAS-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1OCCC ZINC000821128473 606775218 /nfs/dbraw/zinc/77/52/18/606775218.db2.gz UWFDDAJGOAYGAS-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM Cc1nn(-c2ccccc2)c(CSc2ncc(C(C)(C)C)o2)c1-c1nnn[n-]1 ZINC000822486495 606787528 /nfs/dbraw/zinc/78/75/28/606787528.db2.gz LVMQWULHRGUTOI-UHFFFAOYSA-N -1 3 395.492 3.939 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)cc1 ZINC000822136103 606792932 /nfs/dbraw/zinc/79/29/32/606792932.db2.gz JBXQVNQNKUFUHA-HIFRSBDPSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)cc1 ZINC000822136103 606792934 /nfs/dbraw/zinc/79/29/34/606792934.db2.gz JBXQVNQNKUFUHA-HIFRSBDPSA-N -1 3 377.448 3.838 20 0 GHADHM Fc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000822771992 606798535 /nfs/dbraw/zinc/79/85/35/606798535.db2.gz OAHLOVWPSWOVHG-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000822771992 606798537 /nfs/dbraw/zinc/79/85/37/606798537.db2.gz OAHLOVWPSWOVHG-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1CCSC1 ZINC000822211564 606800321 /nfs/dbraw/zinc/80/03/21/606800321.db2.gz FDXIYMBKUKCJPX-AWEZNQCLSA-N -1 3 381.461 3.659 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1CCSC1 ZINC000822211564 606800322 /nfs/dbraw/zinc/80/03/22/606800322.db2.gz FDXIYMBKUKCJPX-AWEZNQCLSA-N -1 3 381.461 3.659 20 0 GHADHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(Cl)c1 ZINC000822234577 606800626 /nfs/dbraw/zinc/80/06/26/606800626.db2.gz AHWGKCNZGKMIIS-UHFFFAOYSA-N -1 3 385.855 3.797 20 0 GHADHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(Cl)c1 ZINC000822234577 606800628 /nfs/dbraw/zinc/80/06/28/606800628.db2.gz AHWGKCNZGKMIIS-UHFFFAOYSA-N -1 3 385.855 3.797 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823088033 606813113 /nfs/dbraw/zinc/81/31/13/606813113.db2.gz WOWUCEJFVQSBAS-UHFFFAOYSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823088033 606813115 /nfs/dbraw/zinc/81/31/15/606813115.db2.gz WOWUCEJFVQSBAS-UHFFFAOYSA-N -1 3 393.466 3.562 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823700026 606848306 /nfs/dbraw/zinc/84/83/06/606848306.db2.gz ZAACTSKKJXRMDA-MRXNPFEDSA-N -1 3 381.486 3.816 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823700026 606848307 /nfs/dbraw/zinc/84/83/07/606848307.db2.gz ZAACTSKKJXRMDA-MRXNPFEDSA-N -1 3 381.486 3.816 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820648490 606849358 /nfs/dbraw/zinc/84/93/58/606849358.db2.gz ALRYPQHUWCYWSQ-IJLUTSLNSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820648490 606849359 /nfs/dbraw/zinc/84/93/59/606849359.db2.gz ALRYPQHUWCYWSQ-IJLUTSLNSA-N -1 3 379.917 3.505 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)CCN1c1ccccc1F ZINC000823514319 606854449 /nfs/dbraw/zinc/85/44/49/606854449.db2.gz ZCCRGVNIPQFSAV-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)CCN1c1ccccc1F ZINC000823514319 606854450 /nfs/dbraw/zinc/85/44/50/606854450.db2.gz ZCCRGVNIPQFSAV-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821693636 606858966 /nfs/dbraw/zinc/85/89/66/606858966.db2.gz HLOUVDQULUIZIR-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821693636 606858967 /nfs/dbraw/zinc/85/89/67/606858967.db2.gz HLOUVDQULUIZIR-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823732704 606860897 /nfs/dbraw/zinc/86/08/97/606860897.db2.gz ONYFMCLHUDWPSR-INIZCTEOSA-N -1 3 392.488 3.600 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823732704 606860898 /nfs/dbraw/zinc/86/08/98/606860898.db2.gz ONYFMCLHUDWPSR-INIZCTEOSA-N -1 3 392.488 3.600 20 0 GHADHM CCc1noc(C)c1COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821552871 606897228 /nfs/dbraw/zinc/89/72/28/606897228.db2.gz AAMGEXYCULATSZ-UHFFFAOYSA-N -1 3 389.415 3.750 20 0 GHADHM CCc1noc(C)c1COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821552871 606897230 /nfs/dbraw/zinc/89/72/30/606897230.db2.gz AAMGEXYCULATSZ-UHFFFAOYSA-N -1 3 389.415 3.750 20 0 GHADHM O=C(OCc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823426898 606902270 /nfs/dbraw/zinc/90/22/70/606902270.db2.gz PZDPPUOJZGHWIZ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823426898 606902272 /nfs/dbraw/zinc/90/22/72/606902272.db2.gz PZDPPUOJZGHWIZ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823344101 606908432 /nfs/dbraw/zinc/90/84/32/606908432.db2.gz QLPUXTMQMPXAIJ-MRXNPFEDSA-N -1 3 394.410 3.574 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823344101 606908433 /nfs/dbraw/zinc/90/84/33/606908433.db2.gz QLPUXTMQMPXAIJ-MRXNPFEDSA-N -1 3 394.410 3.574 20 0 GHADHM Fc1ccc(CNc2ccccc2OC[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000822771632 606930099 /nfs/dbraw/zinc/93/00/99/606930099.db2.gz IHERSVMWBWJRJR-HNNXBMFYSA-N -1 3 383.427 3.566 20 0 GHADHM Fc1ccc(CNc2ccccc2OC[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000822771632 606930100 /nfs/dbraw/zinc/93/01/00/606930100.db2.gz IHERSVMWBWJRJR-HNNXBMFYSA-N -1 3 383.427 3.566 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820051098 606952988 /nfs/dbraw/zinc/95/29/88/606952988.db2.gz LDTGSBDGDLUTJV-GOSISDBHSA-N -1 3 380.427 3.793 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820051098 606952990 /nfs/dbraw/zinc/95/29/90/606952990.db2.gz LDTGSBDGDLUTJV-GOSISDBHSA-N -1 3 380.427 3.793 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820951385 606957517 /nfs/dbraw/zinc/95/75/17/606957517.db2.gz ZFBZUFZXMZIYQZ-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1OC(F)(F)F ZINC000821610769 606961453 /nfs/dbraw/zinc/96/14/53/606961453.db2.gz DTXPDQANOFLKSD-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822423165 606965540 /nfs/dbraw/zinc/96/55/40/606965540.db2.gz IJSXFQYAENOPFW-UHFFFAOYSA-N -1 3 376.873 3.685 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822423165 606965541 /nfs/dbraw/zinc/96/55/41/606965541.db2.gz IJSXFQYAENOPFW-UHFFFAOYSA-N -1 3 376.873 3.685 20 0 GHADHM CN(C(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821573429 606975006 /nfs/dbraw/zinc/97/50/06/606975006.db2.gz PVMKHMGHLJYVMT-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CN(C(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821573429 606975008 /nfs/dbraw/zinc/97/50/08/606975008.db2.gz PVMKHMGHLJYVMT-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM Cc1cc(-c2noc(CSCc3ccccc3-c3nnn[n-]3)n2)ccc1F ZINC000822153570 606987563 /nfs/dbraw/zinc/98/75/63/606987563.db2.gz MZFVIKGSAUJWFH-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cc(-c2noc(CSCc3ccccc3-c3nn[n-]n3)n2)ccc1F ZINC000822153570 606987565 /nfs/dbraw/zinc/98/75/65/606987565.db2.gz MZFVIKGSAUJWFH-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820876117 607000617 /nfs/dbraw/zinc/00/06/17/607000617.db2.gz LXIBOTJEHYLTLM-AWEZNQCLSA-N -1 3 395.463 3.840 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820876117 607000619 /nfs/dbraw/zinc/00/06/19/607000619.db2.gz LXIBOTJEHYLTLM-AWEZNQCLSA-N -1 3 395.463 3.840 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822232869 607002143 /nfs/dbraw/zinc/00/21/43/607002143.db2.gz CLAGBEQABBVGDL-VQIMIIECSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822232869 607002145 /nfs/dbraw/zinc/00/21/45/607002145.db2.gz CLAGBEQABBVGDL-VQIMIIECSA-N -1 3 396.422 3.525 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Sc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000819844382 607011255 /nfs/dbraw/zinc/01/12/55/607011255.db2.gz FRHCYTIMBYAFQA-SFHVURJKSA-N -1 3 395.488 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Sc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000819844382 607011256 /nfs/dbraw/zinc/01/12/56/607011256.db2.gz FRHCYTIMBYAFQA-SFHVURJKSA-N -1 3 395.488 3.825 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823309255 607011348 /nfs/dbraw/zinc/01/13/48/607011348.db2.gz VGZOJOMCWWOGEC-QGZVFWFLSA-N -1 3 390.447 3.825 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823309255 607011349 /nfs/dbraw/zinc/01/13/49/607011349.db2.gz VGZOJOMCWWOGEC-QGZVFWFLSA-N -1 3 390.447 3.825 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000819914459 607014417 /nfs/dbraw/zinc/01/44/17/607014417.db2.gz SHRHKHJWHZAYIP-UHFFFAOYSA-N -1 3 399.495 3.925 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000819914459 607014419 /nfs/dbraw/zinc/01/44/19/607014419.db2.gz SHRHKHJWHZAYIP-UHFFFAOYSA-N -1 3 399.495 3.925 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000820555570 607015153 /nfs/dbraw/zinc/01/51/53/607015153.db2.gz MWGGNQKPTCCTDX-OLZOCXBDSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000820555570 607015154 /nfs/dbraw/zinc/01/51/54/607015154.db2.gz MWGGNQKPTCCTDX-OLZOCXBDSA-N -1 3 393.472 3.971 20 0 GHADHM Cc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000822280645 607021408 /nfs/dbraw/zinc/02/14/08/607021408.db2.gz UWWKFSUXHIHLRJ-UHFFFAOYSA-N -1 3 394.460 3.581 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820372556 607035461 /nfs/dbraw/zinc/03/54/61/607035461.db2.gz ARXXEGHHXQPNCI-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820372556 607035463 /nfs/dbraw/zinc/03/54/63/607035463.db2.gz ARXXEGHHXQPNCI-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822289099 607037441 /nfs/dbraw/zinc/03/74/41/607037441.db2.gz RJXYZYGRAWJIOP-OAHLLOKOSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822289099 607037444 /nfs/dbraw/zinc/03/74/44/607037444.db2.gz RJXYZYGRAWJIOP-OAHLLOKOSA-N -1 3 379.464 3.518 20 0 GHADHM O=C(OC[C@@H]1CCCOC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823396468 607081608 /nfs/dbraw/zinc/08/16/08/607081608.db2.gz JWZKYMJUVNERBB-CQSZACIVSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OC[C@@H]1CCCOC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823396468 607081610 /nfs/dbraw/zinc/08/16/10/607081610.db2.gz JWZKYMJUVNERBB-CQSZACIVSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1sccc1SC(F)F ZINC000823418907 607083179 /nfs/dbraw/zinc/08/31/79/607083179.db2.gz YQZWYNVCHXYAQO-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1sccc1SC(F)F ZINC000823418907 607083180 /nfs/dbraw/zinc/08/31/80/607083180.db2.gz YQZWYNVCHXYAQO-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820914559 607094145 /nfs/dbraw/zinc/09/41/45/607094145.db2.gz OYZKOMGFXNZOHA-QGZVFWFLSA-N -1 3 394.479 3.750 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820914559 607094146 /nfs/dbraw/zinc/09/41/46/607094146.db2.gz OYZKOMGFXNZOHA-QGZVFWFLSA-N -1 3 394.479 3.750 20 0 GHADHM Brc1cc2cccnc2c(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000819688524 607116969 /nfs/dbraw/zinc/11/69/69/607116969.db2.gz JKNUSGRIQGVORJ-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Brc1cc2cccnc2c(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000819688524 607116970 /nfs/dbraw/zinc/11/69/70/607116970.db2.gz JKNUSGRIQGVORJ-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM COc1cccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)cs2)c1 ZINC000821854806 607134550 /nfs/dbraw/zinc/13/45/50/607134550.db2.gz WBOYREXHVSAHIL-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1cccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)cs2)c1 ZINC000821854806 607134552 /nfs/dbraw/zinc/13/45/52/607134552.db2.gz WBOYREXHVSAHIL-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823358823 607141804 /nfs/dbraw/zinc/14/18/04/607141804.db2.gz FVAKLMZMSGWIAG-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823358823 607141806 /nfs/dbraw/zinc/14/18/06/607141806.db2.gz FVAKLMZMSGWIAG-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM Cc1ccccc1-c1nc(CSCCOc2ccccc2-c2nnn[n-]2)no1 ZINC000822345820 607150835 /nfs/dbraw/zinc/15/08/35/607150835.db2.gz SOSIESPZXZWQHK-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM Cc1ccccc1-c1nc(CSCCOc2ccccc2-c2nn[n-]n2)no1 ZINC000822345820 607150836 /nfs/dbraw/zinc/15/08/36/607150836.db2.gz SOSIESPZXZWQHK-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM Cc1cccc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1F ZINC000822284254 607152679 /nfs/dbraw/zinc/15/26/79/607152679.db2.gz MZRCSNJAQBYZIE-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1F ZINC000822284254 607152681 /nfs/dbraw/zinc/15/26/81/607152681.db2.gz MZRCSNJAQBYZIE-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)oc1C ZINC000822176596 607153533 /nfs/dbraw/zinc/15/35/33/607153533.db2.gz MEFGPDFIYJZOBZ-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM CCN(C(=O)[C@@H](C)OC1CCCCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149100 607153926 /nfs/dbraw/zinc/15/39/26/607153926.db2.gz RXTGIXHHAJIWJZ-JKSUJKDBSA-N -1 3 385.512 3.904 20 0 GHADHM CCN(C(=O)[C@@H](C)OC1CCCCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149100 607153928 /nfs/dbraw/zinc/15/39/28/607153928.db2.gz RXTGIXHHAJIWJZ-JKSUJKDBSA-N -1 3 385.512 3.904 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2noc(-c3ccccc3C)n2)n1 ZINC000822192993 607157158 /nfs/dbraw/zinc/15/71/58/607157158.db2.gz HZDYVFITOLEUNH-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2noc(-c3ccccc3C)n2)n1 ZINC000822192993 607157159 /nfs/dbraw/zinc/15/71/59/607157159.db2.gz HZDYVFITOLEUNH-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM FC(F)(F)c1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822728920 607165091 /nfs/dbraw/zinc/16/50/91/607165091.db2.gz NEXPEHVZUUKOCY-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822728920 607165093 /nfs/dbraw/zinc/16/50/93/607165093.db2.gz NEXPEHVZUUKOCY-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823150880 607169391 /nfs/dbraw/zinc/16/93/91/607169391.db2.gz VBBRJIPITSWKQT-QGZVFWFLSA-N -1 3 398.417 3.918 20 0 GHADHM C/C=C\c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000820833205 607188956 /nfs/dbraw/zinc/18/89/56/607188956.db2.gz TZHFPNQGOBOIAK-ARJAWSKDSA-N -1 3 399.838 3.579 20 0 GHADHM C/C=C\c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000820833205 607188957 /nfs/dbraw/zinc/18/89/57/607188957.db2.gz TZHFPNQGOBOIAK-ARJAWSKDSA-N -1 3 399.838 3.579 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)cc(Br)c1 ZINC000823319630 607192101 /nfs/dbraw/zinc/19/21/01/607192101.db2.gz WKKILQWQYXIOCB-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)cc(Br)c1 ZINC000823319630 607192102 /nfs/dbraw/zinc/19/21/02/607192102.db2.gz WKKILQWQYXIOCB-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCC(C)(C)C1CCC(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820848370 607232886 /nfs/dbraw/zinc/23/28/86/607232886.db2.gz WFKMJUPVNBTMSM-UHFFFAOYSA-N -1 3 376.892 3.640 20 0 GHADHM CCC(C)(C)C1CCC(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820848370 607232887 /nfs/dbraw/zinc/23/28/87/607232887.db2.gz WFKMJUPVNBTMSM-UHFFFAOYSA-N -1 3 376.892 3.640 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000821465682 607237972 /nfs/dbraw/zinc/23/79/72/607237972.db2.gz NMRUHUVNFNBLRY-UHFFFAOYSA-N -1 3 379.848 3.773 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000821465682 607237973 /nfs/dbraw/zinc/23/79/73/607237973.db2.gz NMRUHUVNFNBLRY-UHFFFAOYSA-N -1 3 379.848 3.773 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822535154 607241542 /nfs/dbraw/zinc/24/15/42/607241542.db2.gz IEVDRYOQGCEKTC-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822535154 607241543 /nfs/dbraw/zinc/24/15/43/607241543.db2.gz IEVDRYOQGCEKTC-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822436457 607242518 /nfs/dbraw/zinc/24/25/18/607242518.db2.gz NJPBCHGZYLZRSG-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822436457 607242519 /nfs/dbraw/zinc/24/25/19/607242519.db2.gz NJPBCHGZYLZRSG-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Cl)cc2cccnc21 ZINC000823318635 607244089 /nfs/dbraw/zinc/24/40/89/607244089.db2.gz GHVQMVAOSQSCDZ-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Cl)cc2cccnc21 ZINC000823318635 607244090 /nfs/dbraw/zinc/24/40/90/607244090.db2.gz GHVQMVAOSQSCDZ-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM COc1ccc(CSCc2nc(C(F)(F)F)cs2)cc1-c1nnn[n-]1 ZINC000826207749 607784935 /nfs/dbraw/zinc/78/49/35/607784935.db2.gz BPYHFZFXHFTARL-UHFFFAOYSA-N -1 3 387.412 3.784 20 0 GHADHM COc1ccc(CSCc2nc(C(F)(F)F)cs2)cc1-c1nn[n-]n1 ZINC000826207749 607784936 /nfs/dbraw/zinc/78/49/36/607784936.db2.gz BPYHFZFXHFTARL-UHFFFAOYSA-N -1 3 387.412 3.784 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826421969 607791626 /nfs/dbraw/zinc/79/16/26/607791626.db2.gz HZCGSVCSUAYLOJ-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826421969 607791627 /nfs/dbraw/zinc/79/16/27/607791627.db2.gz HZCGSVCSUAYLOJ-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826289276 607794076 /nfs/dbraw/zinc/79/40/76/607794076.db2.gz TUWCXSOLXYPLMB-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826289276 607794077 /nfs/dbraw/zinc/79/40/77/607794077.db2.gz TUWCXSOLXYPLMB-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380792 607798234 /nfs/dbraw/zinc/79/82/34/607798234.db2.gz TYXNJXQHFQQLFG-UHFFFAOYSA-N -1 3 387.390 3.752 20 0 GHADHM CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380792 607798235 /nfs/dbraw/zinc/79/82/35/607798235.db2.gz TYXNJXQHFQQLFG-UHFFFAOYSA-N -1 3 387.390 3.752 20 0 GHADHM CCN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376055 607800100 /nfs/dbraw/zinc/80/01/00/607800100.db2.gz BYKZJMJFRNPSSE-UHFFFAOYSA-N -1 3 380.839 3.528 20 0 GHADHM CCN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376055 607800101 /nfs/dbraw/zinc/80/01/01/607800101.db2.gz BYKZJMJFRNPSSE-UHFFFAOYSA-N -1 3 380.839 3.528 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824226518 607802985 /nfs/dbraw/zinc/80/29/85/607802985.db2.gz ZUVDGDKYUDNZJX-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824226518 607802986 /nfs/dbraw/zinc/80/29/86/607802986.db2.gz ZUVDGDKYUDNZJX-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824844272 607803704 /nfs/dbraw/zinc/80/37/04/607803704.db2.gz UTJSVRBRADGSIK-UHFFFAOYSA-N -1 3 380.427 3.591 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824844272 607803705 /nfs/dbraw/zinc/80/37/05/607803705.db2.gz UTJSVRBRADGSIK-UHFFFAOYSA-N -1 3 380.427 3.591 20 0 GHADHM Cc1ccc(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000826286390 607818043 /nfs/dbraw/zinc/81/80/43/607818043.db2.gz AFEFRHJVXYWLAU-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM Cc1ccc(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000826286390 607818044 /nfs/dbraw/zinc/81/80/44/607818044.db2.gz AFEFRHJVXYWLAU-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000825621679 607827171 /nfs/dbraw/zinc/82/71/71/607827171.db2.gz XCVVNLQTMCIXNW-SFHVURJKSA-N -1 3 395.463 3.760 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000825621679 607827172 /nfs/dbraw/zinc/82/71/72/607827172.db2.gz XCVVNLQTMCIXNW-SFHVURJKSA-N -1 3 395.463 3.760 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826337784 607830096 /nfs/dbraw/zinc/83/00/96/607830096.db2.gz AZAAVKVSSWGXRA-MRVPVSSYSA-N -1 3 394.357 3.623 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826337784 607830097 /nfs/dbraw/zinc/83/00/97/607830097.db2.gz AZAAVKVSSWGXRA-MRVPVSSYSA-N -1 3 394.357 3.623 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826287068 607833428 /nfs/dbraw/zinc/83/34/28/607833428.db2.gz BLNSDBCJFFQTIX-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826287068 607833429 /nfs/dbraw/zinc/83/34/29/607833429.db2.gz BLNSDBCJFFQTIX-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM O=C(NCC1(c2ccccc2)CC1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826434614 607833807 /nfs/dbraw/zinc/83/38/07/607833807.db2.gz RPHFORLXGFXRIJ-UHFFFAOYSA-N -1 3 388.258 3.635 20 0 GHADHM O=C(NCC1(c2ccccc2)CC1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826434614 607833808 /nfs/dbraw/zinc/83/38/08/607833808.db2.gz RPHFORLXGFXRIJ-UHFFFAOYSA-N -1 3 388.258 3.635 20 0 GHADHM CC(C)(CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000824157815 607834737 /nfs/dbraw/zinc/83/47/37/607834737.db2.gz NPFIKQPLJBRWJA-UHFFFAOYSA-N -1 3 396.303 3.943 20 0 GHADHM CC(C)(CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000824157815 607834738 /nfs/dbraw/zinc/83/47/38/607834738.db2.gz NPFIKQPLJBRWJA-UHFFFAOYSA-N -1 3 396.303 3.943 20 0 GHADHM FC(F)(F)c1csc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826368894 607843141 /nfs/dbraw/zinc/84/31/41/607843141.db2.gz FLRNDHLUSOZNEL-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM FC(F)(F)c1csc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826368894 607843142 /nfs/dbraw/zinc/84/31/42/607843142.db2.gz FLRNDHLUSOZNEL-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCCC1 ZINC000824206194 607844092 /nfs/dbraw/zinc/84/40/92/607844092.db2.gz AYQBNCBYCPAYJF-OAHLLOKOSA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCCC1 ZINC000824206194 607844093 /nfs/dbraw/zinc/84/40/93/607844093.db2.gz AYQBNCBYCPAYJF-OAHLLOKOSA-N -1 3 379.917 3.696 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(-c2ccccn2)ccc1Cl ZINC000826466537 607857586 /nfs/dbraw/zinc/85/75/86/607857586.db2.gz HWCMXQDYGUXDGF-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(-c2ccccn2)ccc1Cl ZINC000826466537 607857587 /nfs/dbraw/zinc/85/75/87/607857587.db2.gz HWCMXQDYGUXDGF-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O[C@H](COc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504731 607875932 /nfs/dbraw/zinc/87/59/32/607875932.db2.gz CDDKZWZGDFLXKJ-HXUWFJFHSA-N -1 3 380.448 3.691 20 0 GHADHM O[C@H](COc1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504731 607875933 /nfs/dbraw/zinc/87/59/33/607875933.db2.gz CDDKZWZGDFLXKJ-HXUWFJFHSA-N -1 3 380.448 3.691 20 0 GHADHM O[C@@H](COc1ccccc1SC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505287 607876074 /nfs/dbraw/zinc/87/60/74/607876074.db2.gz RGVAMLZRRSUFAP-LBPRGKRZSA-N -1 3 382.367 3.591 20 0 GHADHM O[C@@H](COc1ccccc1SC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505287 607876075 /nfs/dbraw/zinc/87/60/75/607876075.db2.gz RGVAMLZRRSUFAP-LBPRGKRZSA-N -1 3 382.367 3.591 20 0 GHADHM O[C@H](COc1ccccc1Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826504839 607877513 /nfs/dbraw/zinc/87/75/13/607877513.db2.gz GEHIZTNAKMYACS-QGZVFWFLSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@H](COc1ccccc1Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826504839 607877514 /nfs/dbraw/zinc/87/75/14/607877514.db2.gz GEHIZTNAKMYACS-QGZVFWFLSA-N -1 3 392.390 3.911 20 0 GHADHM FC(F)(F)c1ccc(-c2nc(Cn3ccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826368658 607891933 /nfs/dbraw/zinc/89/19/33/607891933.db2.gz YALXQQNRKCQGDC-UHFFFAOYSA-N -1 3 376.367 3.859 20 0 GHADHM FC(F)(F)c1ccc(-c2nc(Cn3ccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826368658 607891934 /nfs/dbraw/zinc/89/19/34/607891934.db2.gz YALXQQNRKCQGDC-UHFFFAOYSA-N -1 3 376.367 3.859 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000824648646 607902681 /nfs/dbraw/zinc/90/26/81/607902681.db2.gz IAFYHUWFQIVOGM-JGFSIVIASA-N -1 3 395.410 3.796 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCC1 ZINC000824506213 607917133 /nfs/dbraw/zinc/91/71/33/607917133.db2.gz MRVGZXNVKSOZMQ-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCC1 ZINC000824506213 607917134 /nfs/dbraw/zinc/91/71/34/607917134.db2.gz MRVGZXNVKSOZMQ-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM CC(C)(NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1Br ZINC000824166225 607939694 /nfs/dbraw/zinc/93/96/94/607939694.db2.gz FLBVACJXHWBOJF-UHFFFAOYSA-N -1 3 378.299 3.716 20 0 GHADHM C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824705751 607945160 /nfs/dbraw/zinc/94/51/60/607945160.db2.gz DBBJAKLIZGCRJZ-SECBINFHSA-N -1 3 380.301 3.541 20 0 GHADHM C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824705751 607945161 /nfs/dbraw/zinc/94/51/61/607945161.db2.gz DBBJAKLIZGCRJZ-SECBINFHSA-N -1 3 380.301 3.541 20 0 GHADHM Cc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826336590 607965701 /nfs/dbraw/zinc/96/57/01/607965701.db2.gz FDBYZGCJGJSYRR-CJNGLKHVSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826336591 607965712 /nfs/dbraw/zinc/96/57/12/607965712.db2.gz FDBYZGCJGJSYRR-CZUORRHYSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nnn[n-]3)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826336694 607965725 /nfs/dbraw/zinc/96/57/25/607965725.db2.gz JQONXQQKOTXWNF-XJKSGUPXSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nn[n-]n3)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826336694 607965726 /nfs/dbraw/zinc/96/57/26/607965726.db2.gz JQONXQQKOTXWNF-XJKSGUPXSA-N -1 3 399.524 3.689 20 0 GHADHM CCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825721943 607983325 /nfs/dbraw/zinc/98/33/25/607983325.db2.gz CAEKJDYNDHEEEA-CYBMUJFWSA-N -1 3 397.504 3.698 20 0 GHADHM CCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825721943 607983326 /nfs/dbraw/zinc/98/33/26/607983326.db2.gz CAEKJDYNDHEEEA-CYBMUJFWSA-N -1 3 397.504 3.698 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1-c1nnn[n-]1 ZINC000826207333 607983760 /nfs/dbraw/zinc/98/37/60/607983760.db2.gz KEZUDLYYPKHEGO-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC000826207333 607983761 /nfs/dbraw/zinc/98/37/61/607983761.db2.gz KEZUDLYYPKHEGO-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM O=C(C1CCC(F)(F)CC1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826399348 608002638 /nfs/dbraw/zinc/00/26/38/608002638.db2.gz TWTDXLRJAATUFV-UHFFFAOYSA-N -1 3 387.390 3.818 20 0 GHADHM O=C(C1CCC(F)(F)CC1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826399348 608002639 /nfs/dbraw/zinc/00/26/39/608002639.db2.gz TWTDXLRJAATUFV-UHFFFAOYSA-N -1 3 387.390 3.818 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824754058 608016118 /nfs/dbraw/zinc/01/61/18/608016118.db2.gz HPVLERSNNBRGIQ-DNVCBOLYSA-N -1 3 393.516 3.852 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824754058 608016119 /nfs/dbraw/zinc/01/61/19/608016119.db2.gz HPVLERSNNBRGIQ-DNVCBOLYSA-N -1 3 393.516 3.852 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824471486 608024755 /nfs/dbraw/zinc/02/47/55/608024755.db2.gz QWSZYUGBULCSKL-ZDUSSCGKSA-N -1 3 397.429 3.834 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824471486 608024756 /nfs/dbraw/zinc/02/47/56/608024756.db2.gz QWSZYUGBULCSKL-ZDUSSCGKSA-N -1 3 397.429 3.834 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824864309 608028601 /nfs/dbraw/zinc/02/86/01/608028601.db2.gz AFEIBEWEARIFNJ-KSSFIOAISA-N -1 3 390.443 3.582 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824864309 608028602 /nfs/dbraw/zinc/02/86/02/608028602.db2.gz AFEIBEWEARIFNJ-KSSFIOAISA-N -1 3 390.443 3.582 20 0 GHADHM Cc1ccc(Br)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826281210 608072779 /nfs/dbraw/zinc/07/27/79/608072779.db2.gz JAKGRSPJZCOYQI-VQHVLOKHSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(Br)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826281210 608072780 /nfs/dbraw/zinc/07/27/80/608072780.db2.gz JAKGRSPJZCOYQI-VQHVLOKHSA-N -1 3 384.237 3.590 20 0 GHADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824967981 608102536 /nfs/dbraw/zinc/10/25/36/608102536.db2.gz OIEBNZJWLNWLOX-XOBRGWDASA-N -1 3 393.516 3.540 20 0 GHADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824967981 608102537 /nfs/dbraw/zinc/10/25/37/608102537.db2.gz OIEBNZJWLNWLOX-XOBRGWDASA-N -1 3 393.516 3.540 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000826255324 608116961 /nfs/dbraw/zinc/11/69/61/608116961.db2.gz TZMSFRJTGUNZMS-GOSISDBHSA-N -1 3 389.459 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000826255324 608116962 /nfs/dbraw/zinc/11/69/62/608116962.db2.gz TZMSFRJTGUNZMS-GOSISDBHSA-N -1 3 389.459 3.840 20 0 GHADHM CCC[C@H](C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225752 608157427 /nfs/dbraw/zinc/15/74/27/608157427.db2.gz XEMQNPQTDOVJTE-KRWDZBQOSA-N -1 3 381.484 3.680 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H](C)c1ccccc1C ZINC000825787557 608174235 /nfs/dbraw/zinc/17/42/35/608174235.db2.gz HRUKZAHLVZMOEA-AWEZNQCLSA-N -1 3 389.463 3.677 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H](C)c1ccccc1C ZINC000825787557 608174237 /nfs/dbraw/zinc/17/42/37/608174237.db2.gz HRUKZAHLVZMOEA-AWEZNQCLSA-N -1 3 389.463 3.677 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825224657 608179944 /nfs/dbraw/zinc/17/99/44/608179944.db2.gz AOUVEHWGCGQLDB-UHFFFAOYSA-N -1 3 384.827 3.511 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825224657 608179946 /nfs/dbraw/zinc/17/99/46/608179946.db2.gz AOUVEHWGCGQLDB-UHFFFAOYSA-N -1 3 384.827 3.511 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc2ccccc2c1 ZINC000825793498 608180680 /nfs/dbraw/zinc/18/06/80/608180680.db2.gz VSCQMHVQTOXQKA-UHFFFAOYSA-N -1 3 383.415 3.642 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc2ccccc2c1 ZINC000825793498 608180682 /nfs/dbraw/zinc/18/06/82/608180682.db2.gz VSCQMHVQTOXQKA-UHFFFAOYSA-N -1 3 383.415 3.642 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OC[C@]2(C)CCOC2)cc1 ZINC000826254970 608200653 /nfs/dbraw/zinc/20/06/53/608200653.db2.gz HGZIKRAYEHRILX-OAQYLSRUSA-N -1 3 394.431 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OC[C@]2(C)CCOC2)cc1 ZINC000826254970 608200655 /nfs/dbraw/zinc/20/06/55/608200655.db2.gz HGZIKRAYEHRILX-OAQYLSRUSA-N -1 3 394.431 3.551 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1cccc(Cl)c1 ZINC000826421023 608208333 /nfs/dbraw/zinc/20/83/33/608208333.db2.gz NUQJDEQLEPFVRR-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1cccc(Cl)c1 ZINC000826421023 608208335 /nfs/dbraw/zinc/20/83/35/608208335.db2.gz NUQJDEQLEPFVRR-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM COc1ccc(CNc2cc(F)c(F)cc2Br)cc1-c1nnn[n-]1 ZINC000826203416 608236175 /nfs/dbraw/zinc/23/61/75/608236175.db2.gz NANWBKWOVFYQPX-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(CNc2cc(F)c(F)cc2Br)cc1-c1nn[n-]n1 ZINC000826203416 608236176 /nfs/dbraw/zinc/23/61/76/608236176.db2.gz NANWBKWOVFYQPX-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000826190181 608240008 /nfs/dbraw/zinc/24/00/08/608240008.db2.gz SDZOUMWABVXJPC-ZUOKHONESA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000826190181 608240010 /nfs/dbraw/zinc/24/00/10/608240010.db2.gz SDZOUMWABVXJPC-ZUOKHONESA-N -1 3 390.447 3.612 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000825192801 608246091 /nfs/dbraw/zinc/24/60/91/608246091.db2.gz IWSORFPEDAOHQF-MAUKXSAKSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000825192801 608246093 /nfs/dbraw/zinc/24/60/93/608246093.db2.gz IWSORFPEDAOHQF-MAUKXSAKSA-N -1 3 391.475 3.849 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825654215 608256522 /nfs/dbraw/zinc/25/65/22/608256522.db2.gz RSOVYVFPALQWKD-UHFFFAOYSA-N -1 3 399.454 3.862 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825654215 608256524 /nfs/dbraw/zinc/25/65/24/608256524.db2.gz RSOVYVFPALQWKD-UHFFFAOYSA-N -1 3 399.454 3.862 20 0 GHADHM COC(=O)[C@@H](NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826111474 608291515 /nfs/dbraw/zinc/29/15/15/608291515.db2.gz FZLISSNQUXNWAJ-NRFANRHFSA-N -1 3 399.454 3.538 20 0 GHADHM COC(=O)[C@@H](NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826111474 608291517 /nfs/dbraw/zinc/29/15/17/608291517.db2.gz FZLISSNQUXNWAJ-NRFANRHFSA-N -1 3 399.454 3.538 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000826226267 608293275 /nfs/dbraw/zinc/29/32/75/608293275.db2.gz WFHWBAFMJZMGOK-CYBMUJFWSA-N -1 3 398.492 3.833 20 0 GHADHM FC(F)(F)c1ccnc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826369308 608296134 /nfs/dbraw/zinc/29/61/34/608296134.db2.gz XFIOKPDIAWMQII-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM FC(F)(F)c1ccnc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826369308 608296136 /nfs/dbraw/zinc/29/61/36/608296136.db2.gz XFIOKPDIAWMQII-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(-c2ccc(C)cc2)no1 ZINC000826173457 608322357 /nfs/dbraw/zinc/32/23/57/608322357.db2.gz FIMGMSRJVWACGJ-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(-c2ccc(C)cc2)no1 ZINC000826173457 608322359 /nfs/dbraw/zinc/32/23/59/608322359.db2.gz FIMGMSRJVWACGJ-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)cc2cccnc21 ZINC000825318551 608416991 /nfs/dbraw/zinc/41/69/91/608416991.db2.gz PEHDSFQFEKGGHZ-UHFFFAOYSA-N -1 3 390.422 3.606 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)cc2cccnc21 ZINC000825318551 608416992 /nfs/dbraw/zinc/41/69/92/608416992.db2.gz PEHDSFQFEKGGHZ-UHFFFAOYSA-N -1 3 390.422 3.606 20 0 GHADHM CCC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000825242478 608426841 /nfs/dbraw/zinc/42/68/41/608426841.db2.gz SAIZJCNMBBUMSY-KRWDZBQOSA-N -1 3 375.436 3.548 20 0 GHADHM CCC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000825242478 608426842 /nfs/dbraw/zinc/42/68/42/608426842.db2.gz SAIZJCNMBBUMSY-KRWDZBQOSA-N -1 3 375.436 3.548 20 0 GHADHM c1ccc(-c2nccc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000823867940 608441337 /nfs/dbraw/zinc/44/13/37/608441337.db2.gz KKSZXNPADQNGDV-UHFFFAOYSA-N -1 3 381.443 3.617 20 0 GHADHM c1ccc(-c2nccc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000823867940 608441338 /nfs/dbraw/zinc/44/13/38/608441338.db2.gz KKSZXNPADQNGDV-UHFFFAOYSA-N -1 3 381.443 3.617 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Cl)c2cccnc12 ZINC000826466433 608444142 /nfs/dbraw/zinc/44/41/42/608444142.db2.gz CLRZJZNEULJYFB-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Cl)c2cccnc12 ZINC000826466433 608444143 /nfs/dbraw/zinc/44/41/43/608444143.db2.gz CLRZJZNEULJYFB-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccnc(Oc2ccccc2)c1 ZINC000826466801 608446889 /nfs/dbraw/zinc/44/68/89/608446889.db2.gz UKVBJVGIZDWWJY-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccnc(Oc2ccccc2)c1 ZINC000826466801 608446890 /nfs/dbraw/zinc/44/68/90/608446890.db2.gz UKVBJVGIZDWWJY-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000826186016 608459722 /nfs/dbraw/zinc/45/97/22/608459722.db2.gz ANMVDZNLEHLNFP-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000826186016 608459724 /nfs/dbraw/zinc/45/97/24/608459724.db2.gz ANMVDZNLEHLNFP-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM CCc1sc(-c2nnc(CN[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000825782359 608461573 /nfs/dbraw/zinc/46/15/73/608461573.db2.gz FDWDOVLTCMGJEI-GFCCVEGCSA-N -1 3 395.492 3.700 20 0 GHADHM CCc1sc(-c2nnc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000825782359 608461575 /nfs/dbraw/zinc/46/15/75/608461575.db2.gz FDWDOVLTCMGJEI-GFCCVEGCSA-N -1 3 395.492 3.700 20 0 GHADHM Cc1ccc2[nH]c(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2c1 ZINC000826293114 608480402 /nfs/dbraw/zinc/48/04/02/608480402.db2.gz BJPOQMNPFKWVNZ-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM Cc1ccc2[nH]c(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cc2c1 ZINC000826293114 608480404 /nfs/dbraw/zinc/48/04/04/608480404.db2.gz BJPOQMNPFKWVNZ-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826472632 608482497 /nfs/dbraw/zinc/48/24/97/608482497.db2.gz RBEDISQPKZMKGJ-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472632 608482499 /nfs/dbraw/zinc/48/24/99/608482499.db2.gz RBEDISQPKZMKGJ-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM Fc1cccc(F)c1-c1nc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)co1 ZINC000826377271 608532824 /nfs/dbraw/zinc/53/28/24/608532824.db2.gz LEGSXZVZVCOQFQ-UHFFFAOYSA-N -1 3 394.385 3.579 20 0 GHADHM Fc1cccc(F)c1-c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)co1 ZINC000826377271 608532826 /nfs/dbraw/zinc/53/28/26/608532826.db2.gz LEGSXZVZVCOQFQ-UHFFFAOYSA-N -1 3 394.385 3.579 20 0 GHADHM CCN(Cc1nc2ccccc2n1CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444832 608551478 /nfs/dbraw/zinc/55/14/78/608551478.db2.gz SAXJXLFLKFJPMF-OAHLLOKOSA-N -1 3 375.480 3.819 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)[C@@H]1C ZINC000824937272 608597016 /nfs/dbraw/zinc/59/70/16/608597016.db2.gz PDBUXDBYDZGYBZ-ZIAGYGMSSA-N -1 3 393.451 3.706 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2-c2cccs2)c1-c1nnn[n-]1 ZINC000825688222 608666443 /nfs/dbraw/zinc/66/64/43/608666443.db2.gz TYAKUMOCOJUJDL-UHFFFAOYSA-N -1 3 399.505 3.513 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cn(C)nc2-c2cccs2)c1-c1nn[n-]n1 ZINC000825688222 608666445 /nfs/dbraw/zinc/66/64/45/608666445.db2.gz TYAKUMOCOJUJDL-UHFFFAOYSA-N -1 3 399.505 3.513 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1Cl ZINC000826351772 608675237 /nfs/dbraw/zinc/67/52/37/608675237.db2.gz ZUTZKBXGWGVKPJ-OAHLLOKOSA-N -1 3 396.303 3.809 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1Cl ZINC000826351772 608675238 /nfs/dbraw/zinc/67/52/38/608675238.db2.gz ZUTZKBXGWGVKPJ-OAHLLOKOSA-N -1 3 396.303 3.809 20 0 GHADHM CC(C)(C)c1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000824135858 608852912 /nfs/dbraw/zinc/85/29/12/608852912.db2.gz JEVIGHHQGGOQOG-QGZVFWFLSA-N -1 3 383.521 3.799 20 0 GHADHM CN(c1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12)C1CCCC1 ZINC000826010984 608860193 /nfs/dbraw/zinc/86/01/93/608860193.db2.gz SHQGWUUVYCBGAJ-UHFFFAOYSA-N -1 3 388.479 3.505 20 0 GHADHM CN(c1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12)C1CCCC1 ZINC000826010984 608860194 /nfs/dbraw/zinc/86/01/94/608860194.db2.gz SHQGWUUVYCBGAJ-UHFFFAOYSA-N -1 3 388.479 3.505 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccccc2F)n1 ZINC000826186867 609176168 /nfs/dbraw/zinc/17/61/68/609176168.db2.gz NFYVQRNMPZGYBK-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM COc1cc(C)nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000826178864 609183594 /nfs/dbraw/zinc/18/35/94/609183594.db2.gz PFXOZEKLDFUXQG-UHFFFAOYSA-N -1 3 393.419 3.614 20 0 GHADHM COc1cc(C)nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000826178864 609183596 /nfs/dbraw/zinc/18/35/96/609183596.db2.gz PFXOZEKLDFUXQG-UHFFFAOYSA-N -1 3 393.419 3.614 20 0 GHADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824514532 609198893 /nfs/dbraw/zinc/19/88/93/609198893.db2.gz NZJYZHPUQPEKPX-GFCCVEGCSA-N -1 3 392.394 3.617 20 0 GHADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824514532 609198895 /nfs/dbraw/zinc/19/88/95/609198895.db2.gz NZJYZHPUQPEKPX-GFCCVEGCSA-N -1 3 392.394 3.617 20 0 GHADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824237929 609206142 /nfs/dbraw/zinc/20/61/42/609206142.db2.gz WYCGDCORAWSGSW-AWEZNQCLSA-N -1 3 392.385 3.731 20 0 GHADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824237929 609206144 /nfs/dbraw/zinc/20/61/44/609206144.db2.gz WYCGDCORAWSGSW-AWEZNQCLSA-N -1 3 392.385 3.731 20 0 GHADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](CC)c1ccccc1 ZINC000825281653 609231638 /nfs/dbraw/zinc/23/16/38/609231638.db2.gz IPHBEZKYZPOKEC-UXHICEINSA-N -1 3 393.491 3.680 20 0 GHADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](CC)c1ccccc1 ZINC000825281653 609231639 /nfs/dbraw/zinc/23/16/39/609231639.db2.gz IPHBEZKYZPOKEC-UXHICEINSA-N -1 3 393.491 3.680 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000826307154 609232746 /nfs/dbraw/zinc/23/27/46/609232746.db2.gz XWEGFXMWFHOIGI-UHFFFAOYSA-N -1 3 391.479 3.663 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000826307154 609232747 /nfs/dbraw/zinc/23/27/47/609232747.db2.gz XWEGFXMWFHOIGI-UHFFFAOYSA-N -1 3 391.479 3.663 20 0 GHADHM c1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC[C@@H]2CCCO2)c1 ZINC000826517263 609238258 /nfs/dbraw/zinc/23/82/58/609238258.db2.gz WPISWSFIPNPCQV-FPOVZHCZSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC[C@@H]2CCCO2)c1 ZINC000826517263 609238259 /nfs/dbraw/zinc/23/82/59/609238259.db2.gz WPISWSFIPNPCQV-FPOVZHCZSA-N -1 3 391.475 3.914 20 0 GHADHM COCCc1nc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)ccc2o1 ZINC000826163386 609242756 /nfs/dbraw/zinc/24/27/56/609242756.db2.gz RXUTWCKYPWWXRI-NSHDSACASA-N -1 3 382.399 3.509 20 0 GHADHM COCCc1nc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)ccc2o1 ZINC000826163386 609242757 /nfs/dbraw/zinc/24/27/57/609242757.db2.gz RXUTWCKYPWWXRI-NSHDSACASA-N -1 3 382.399 3.509 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826472915 609268021 /nfs/dbraw/zinc/26/80/21/609268021.db2.gz CFPKZOKIAXKMRG-DZZUKKPASA-N -1 3 379.851 3.838 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826472915 609268025 /nfs/dbraw/zinc/26/80/25/609268025.db2.gz CFPKZOKIAXKMRG-DZZUKKPASA-N -1 3 379.851 3.838 20 0 GHADHM c1cc(N2CCCCC2)ncc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826516960 609280398 /nfs/dbraw/zinc/28/03/98/609280398.db2.gz KAQBCMVMTPZZDA-LJQANCHMSA-N -1 3 375.480 3.742 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1CSc1ncc2ccccn21 ZINC000823821431 609307082 /nfs/dbraw/zinc/30/70/82/609307082.db2.gz UCZKGOFEPFUZCT-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CSc1ncc2ccccn21 ZINC000823821431 609307084 /nfs/dbraw/zinc/30/70/84/609307084.db2.gz UCZKGOFEPFUZCT-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Cc1nnc(SCc2ccc(Cl)c3cccnc23)c(-c2nnn[n-]2)c1C ZINC000826337472 609307477 /nfs/dbraw/zinc/30/74/77/609307477.db2.gz POIZKQCIYOLFKA-UHFFFAOYSA-N -1 3 383.868 3.767 20 0 GHADHM Cc1nnc(SCc2ccc(Cl)c3cccnc23)c(-c2nn[n-]n2)c1C ZINC000826337472 609307478 /nfs/dbraw/zinc/30/74/78/609307478.db2.gz POIZKQCIYOLFKA-UHFFFAOYSA-N -1 3 383.868 3.767 20 0 GHADHM Cc1nnc(SCc2csc(CCC(C)C)n2)c(-c2nnn[n-]2)c1C ZINC000826337469 609309284 /nfs/dbraw/zinc/30/92/84/609309284.db2.gz PLYOTXCVLRDYLR-UHFFFAOYSA-N -1 3 375.527 3.611 20 0 GHADHM Cc1nnc(SCc2csc(CCC(C)C)n2)c(-c2nn[n-]n2)c1C ZINC000826337469 609309286 /nfs/dbraw/zinc/30/92/86/609309286.db2.gz PLYOTXCVLRDYLR-UHFFFAOYSA-N -1 3 375.527 3.611 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825398895 609312486 /nfs/dbraw/zinc/31/24/86/609312486.db2.gz ALVBAHHAXRZLIG-UHFFFAOYSA-N -1 3 391.353 3.683 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825398895 609312488 /nfs/dbraw/zinc/31/24/88/609312488.db2.gz ALVBAHHAXRZLIG-UHFFFAOYSA-N -1 3 391.353 3.683 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825076566 609312607 /nfs/dbraw/zinc/31/26/07/609312607.db2.gz WNNLOMQPDJCSAC-CQSZACIVSA-N -1 3 381.484 3.645 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825076566 609312610 /nfs/dbraw/zinc/31/26/10/609312610.db2.gz WNNLOMQPDJCSAC-CQSZACIVSA-N -1 3 381.484 3.645 20 0 GHADHM COc1cc(-c2ccccc2)ccc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000826166986 609319665 /nfs/dbraw/zinc/31/96/65/609319665.db2.gz KPDRFTNDGPLKQW-UHFFFAOYSA-N -1 3 389.434 3.971 20 0 GHADHM Fc1cccc2c1OCCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826377746 609324476 /nfs/dbraw/zinc/32/44/76/609324476.db2.gz DTOGYZNJPIIIKT-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1cccc2c1OCCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826377746 609324478 /nfs/dbraw/zinc/32/44/78/609324478.db2.gz DTOGYZNJPIIIKT-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2cnccc2-c2nnn[n-]2)on1 ZINC000826213738 609324740 /nfs/dbraw/zinc/32/47/40/609324740.db2.gz KKPLKUNAXKHZAV-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2cnccc2-c2nn[n-]n2)on1 ZINC000826213738 609324742 /nfs/dbraw/zinc/32/47/42/609324742.db2.gz KKPLKUNAXKHZAV-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM CC(C)CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824229429 609328747 /nfs/dbraw/zinc/32/87/47/609328747.db2.gz QGQFHZNNAIVFDQ-AWEZNQCLSA-N -1 3 396.470 3.841 20 0 GHADHM CSc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230583 609336984 /nfs/dbraw/zinc/33/69/84/609336984.db2.gz AHBTWUACOWHCSQ-UHFFFAOYSA-N -1 3 377.477 3.601 20 0 GHADHM CSc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230583 609336986 /nfs/dbraw/zinc/33/69/86/609336986.db2.gz AHBTWUACOWHCSQ-UHFFFAOYSA-N -1 3 377.477 3.601 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824992601 609349000 /nfs/dbraw/zinc/34/90/00/609349000.db2.gz MZOOGULOHRSNLM-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824992601 609349002 /nfs/dbraw/zinc/34/90/02/609349002.db2.gz MZOOGULOHRSNLM-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826245006 609405175 /nfs/dbraw/zinc/40/51/75/609405175.db2.gz KVYLBLPNGSTUCQ-OAHLLOKOSA-N -1 3 379.439 3.724 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826245006 609405177 /nfs/dbraw/zinc/40/51/77/609405177.db2.gz KVYLBLPNGSTUCQ-OAHLLOKOSA-N -1 3 379.439 3.724 20 0 GHADHM Cc1sc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1-c1cccc(Cl)c1 ZINC000826349736 609442506 /nfs/dbraw/zinc/44/25/06/609442506.db2.gz SNIMYRDTVIRGNM-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM Cc1sc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1-c1cccc(Cl)c1 ZINC000826349736 609442508 /nfs/dbraw/zinc/44/25/08/609442508.db2.gz SNIMYRDTVIRGNM-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361195 609444580 /nfs/dbraw/zinc/44/45/80/609444580.db2.gz CYPUSMZWFHSIPE-IRXDYDNUSA-N -1 3 377.492 3.963 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361195 609444581 /nfs/dbraw/zinc/44/45/81/609444581.db2.gz CYPUSMZWFHSIPE-IRXDYDNUSA-N -1 3 377.492 3.963 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCOCC1 ZINC000825164469 609444604 /nfs/dbraw/zinc/44/46/04/609444604.db2.gz ATQUYASRMUNNPX-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCOCC1 ZINC000825164469 609444606 /nfs/dbraw/zinc/44/46/06/609444606.db2.gz ATQUYASRMUNNPX-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CC(C)(C)c1cnc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)o1 ZINC000824135864 609445049 /nfs/dbraw/zinc/44/50/49/609445049.db2.gz JJEPOTXMDAZXIZ-UHFFFAOYSA-N -1 3 398.858 3.603 20 0 GHADHM CCCN(CCC)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825313624 609451891 /nfs/dbraw/zinc/45/18/91/609451891.db2.gz MBZNRODCFXXXHR-UHFFFAOYSA-N -1 3 387.431 3.626 20 0 GHADHM CCCN(CCC)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825313624 609451892 /nfs/dbraw/zinc/45/18/92/609451892.db2.gz MBZNRODCFXXXHR-UHFFFAOYSA-N -1 3 387.431 3.626 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323464 609454517 /nfs/dbraw/zinc/45/45/17/609454517.db2.gz FIQHHHJBQIZMJV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323464 609454520 /nfs/dbraw/zinc/45/45/20/609454520.db2.gz FIQHHHJBQIZMJV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824507202 609454795 /nfs/dbraw/zinc/45/47/95/609454795.db2.gz VJNCAAPGDAUUNV-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824507202 609454797 /nfs/dbraw/zinc/45/47/97/609454797.db2.gz VJNCAAPGDAUUNV-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826460062 609460064 /nfs/dbraw/zinc/46/00/64/609460064.db2.gz LMNYCKRHGBTHTM-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826460062 609460065 /nfs/dbraw/zinc/46/00/65/609460065.db2.gz LMNYCKRHGBTHTM-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824763236 609471572 /nfs/dbraw/zinc/47/15/72/609471572.db2.gz LVYWPGVGZVWOKA-SECBINFHSA-N -1 3 399.867 3.516 20 0 GHADHM CCn1c(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)nc2ccccc21 ZINC000825789273 609478901 /nfs/dbraw/zinc/47/89/01/609478901.db2.gz YBTCKIZNDTYGEK-UHFFFAOYSA-N -1 3 377.452 3.636 20 0 GHADHM CCn1c(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)nc2ccccc21 ZINC000825789273 609478902 /nfs/dbraw/zinc/47/89/02/609478902.db2.gz YBTCKIZNDTYGEK-UHFFFAOYSA-N -1 3 377.452 3.636 20 0 GHADHM Cc1c(NCc2cccc(-c3nnn[n-]3)c2F)cccc1OCC(F)(F)F ZINC000826242581 609479322 /nfs/dbraw/zinc/47/93/22/609479322.db2.gz VLRLVWHCLAGDKZ-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1c(NCc2cccc(-c3nn[n-]n3)c2F)cccc1OCC(F)(F)F ZINC000826242581 609479323 /nfs/dbraw/zinc/47/93/23/609479323.db2.gz VLRLVWHCLAGDKZ-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000826186700 609483907 /nfs/dbraw/zinc/48/39/07/609483907.db2.gz HKFCOVMINJXECL-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@H](C)c2ccc(OC)cc2)cc1-c1nnn[n-]1 ZINC000825553040 609488625 /nfs/dbraw/zinc/48/86/25/609488625.db2.gz JGRISFHLCRCUAU-ZDUSSCGKSA-N -1 3 396.451 3.659 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@H](C)c2ccc(OC)cc2)cc1-c1nn[n-]n1 ZINC000825553040 609488627 /nfs/dbraw/zinc/48/86/27/609488627.db2.gz JGRISFHLCRCUAU-ZDUSSCGKSA-N -1 3 396.451 3.659 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000825552611 609490832 /nfs/dbraw/zinc/49/08/32/609490832.db2.gz BETWDOPADOEMHJ-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000825552611 609490834 /nfs/dbraw/zinc/49/08/34/609490834.db2.gz BETWDOPADOEMHJ-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1-c1nnn[n-]1 ZINC000824329160 609492564 /nfs/dbraw/zinc/49/25/64/609492564.db2.gz JXNJMESBFSFPHX-INIZCTEOSA-N -1 3 386.481 3.574 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1-c1nn[n-]n1 ZINC000824329160 609492567 /nfs/dbraw/zinc/49/25/67/609492567.db2.gz JXNJMESBFSFPHX-INIZCTEOSA-N -1 3 386.481 3.574 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)no1 ZINC000824358316 609493894 /nfs/dbraw/zinc/49/38/94/609493894.db2.gz GWNXPKCZEWJRFR-CYBMUJFWSA-N -1 3 388.863 3.543 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)no1 ZINC000824358316 609493896 /nfs/dbraw/zinc/49/38/96/609493896.db2.gz GWNXPKCZEWJRFR-CYBMUJFWSA-N -1 3 388.863 3.543 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccc(F)cn1 ZINC000826455597 609502817 /nfs/dbraw/zinc/50/28/17/609502817.db2.gz VTTIBXYMUOKGGE-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccc(F)cn1 ZINC000826455597 609502820 /nfs/dbraw/zinc/50/28/20/609502820.db2.gz VTTIBXYMUOKGGE-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Oc2ccccc2)o1 ZINC000826483300 609505666 /nfs/dbraw/zinc/50/56/66/609505666.db2.gz IWTQMTMGMKCKIX-SFQUDFHCSA-N -1 3 399.366 3.597 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Oc2ccccc2)o1 ZINC000826483300 609505668 /nfs/dbraw/zinc/50/56/68/609505668.db2.gz IWTQMTMGMKCKIX-SFQUDFHCSA-N -1 3 399.366 3.597 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)c2cccnc2)c1-c1nnn[n-]1 ZINC000826239044 609548448 /nfs/dbraw/zinc/54/84/48/609548448.db2.gz WQVWNLJOUYTFRN-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)c2cccnc2)c1-c1nn[n-]n1 ZINC000826239044 609548450 /nfs/dbraw/zinc/54/84/50/609548450.db2.gz WQVWNLJOUYTFRN-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1ccnc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1-c1nnn[n-]1 ZINC000826309602 609578776 /nfs/dbraw/zinc/57/87/76/609578776.db2.gz VHGRMIZOCOWRKA-UHFFFAOYSA-N -1 3 383.459 3.801 20 0 GHADHM Cc1ccnc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1-c1nn[n-]n1 ZINC000826309602 609578780 /nfs/dbraw/zinc/57/87/80/609578780.db2.gz VHGRMIZOCOWRKA-UHFFFAOYSA-N -1 3 383.459 3.801 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1nc(Cl)ccc1Cl ZINC000826465244 609616367 /nfs/dbraw/zinc/61/63/67/609616367.db2.gz FJVMGOHFYRQDMU-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1nc(Cl)ccc1Cl ZINC000826465244 609616369 /nfs/dbraw/zinc/61/63/69/609616369.db2.gz FJVMGOHFYRQDMU-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826464720 609625851 /nfs/dbraw/zinc/62/58/51/609625851.db2.gz JJMRGBYQFZOZAS-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826464720 609625852 /nfs/dbraw/zinc/62/58/52/609625852.db2.gz JJMRGBYQFZOZAS-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000824712841 609629232 /nfs/dbraw/zinc/62/92/32/609629232.db2.gz DIPSFDNIQLCBKE-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000824712841 609629233 /nfs/dbraw/zinc/62/92/33/609629233.db2.gz DIPSFDNIQLCBKE-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]1c1ccccn1 ZINC000683470744 837385305 /nfs/dbraw/zinc/38/53/05/837385305.db2.gz UYFLXUIDNZGZOU-KRWDZBQOSA-N -1 3 398.260 3.663 20 0 GHADHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000431779255 837477246 /nfs/dbraw/zinc/47/72/46/837477246.db2.gz RTZCUOAAMYUPRP-GFCCVEGCSA-N -1 3 381.259 3.716 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)sc1C ZINC000173227039 837602657 /nfs/dbraw/zinc/60/26/57/837602657.db2.gz DZVKBMLUOCPSJK-UHFFFAOYSA-N -1 3 384.832 3.911 20 0 GHADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1I ZINC001213500163 834449794 /nfs/dbraw/zinc/44/97/94/834449794.db2.gz AACMWPKCZQEMKE-UHFFFAOYSA-N -1 3 386.580 3.693 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000151037804 834582261 /nfs/dbraw/zinc/58/22/61/834582261.db2.gz SYTFAULVGJNGRO-SFHVURJKSA-N -1 3 395.377 3.960 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000611870669 834681971 /nfs/dbraw/zinc/68/19/71/834681971.db2.gz PLYMFKMPPFSELC-MRXNPFEDSA-N -1 3 391.349 3.501 20 0 GHADHM Cc1noc([C@@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)n1 ZINC000157371880 834888174 /nfs/dbraw/zinc/88/81/74/834888174.db2.gz MFXRFQARIFZESD-OAHLLOKOSA-N -1 3 379.416 3.896 20 0 GHADHM CCN(C(=O)Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000274736533 834912750 /nfs/dbraw/zinc/91/27/50/834912750.db2.gz DFJIIOWGLOVJHC-OAQYLSRUSA-N -1 3 397.475 3.862 20 0 GHADHM CCN(C(=O)Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000274736533 834912752 /nfs/dbraw/zinc/91/27/52/834912752.db2.gz DFJIIOWGLOVJHC-OAQYLSRUSA-N -1 3 397.475 3.862 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(-n2cccn2)cc1)c1cccc(Br)c1 ZINC000683173520 834921669 /nfs/dbraw/zinc/92/16/69/834921669.db2.gz KKVPIKHUBXELSJ-KRWDZBQOSA-N -1 3 386.249 3.550 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1C ZINC000610192842 834985578 /nfs/dbraw/zinc/98/55/78/834985578.db2.gz OQFDQWQRHAVIBD-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c[n-]c12 ZINC000607719720 835003621 /nfs/dbraw/zinc/00/36/21/835003621.db2.gz JELQPEZQQQVFDJ-UHFFFAOYSA-N -1 3 389.455 3.715 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000064808456 835051119 /nfs/dbraw/zinc/05/11/19/835051119.db2.gz ZEUJKMKSPSIXHJ-UHFFFAOYSA-N -1 3 377.379 3.681 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511301093 835100462 /nfs/dbraw/zinc/10/04/62/835100462.db2.gz MBKMWKCUXBKCCZ-JTQLQIEISA-N -1 3 394.656 3.578 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1CCC(C(C)C)CC1 ZINC000433328132 844020090 /nfs/dbraw/zinc/02/00/90/844020090.db2.gz CCVOMGNEAGOWHZ-UHFFFAOYSA-N -1 3 396.535 3.652 20 0 GHADHM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000583844718 835127277 /nfs/dbraw/zinc/12/72/77/835127277.db2.gz YRQIXQBLECUOIS-UHFFFAOYSA-N -1 3 386.498 3.985 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCc4ccccc4C3)nc(=O)c2c1C ZINC000023748602 835213566 /nfs/dbraw/zinc/21/35/66/835213566.db2.gz DTRVSTPMQNELAT-ZDUSSCGKSA-N -1 3 397.500 3.589 20 0 GHADHM COc1cc(C2(C(=O)Nc3nc(-c4ccccc4Cl)n[n-]3)CC2)ccc1C ZINC000097576539 835299863 /nfs/dbraw/zinc/29/98/63/835299863.db2.gz HFRXFEVQHKDCIP-UHFFFAOYSA-N -1 3 382.851 3.534 20 0 GHADHM CSc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)cc1 ZINC000109127240 835359706 /nfs/dbraw/zinc/35/97/06/835359706.db2.gz FQVISVMUFREKPL-LLVKDONJSA-N -1 3 376.865 3.759 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccnc2Oc2cccc(C)c2C)c(=O)[n-]1 ZINC000097703384 835376222 /nfs/dbraw/zinc/37/62/22/835376222.db2.gz ZGIFALOFQDUWFE-UHFFFAOYSA-N -1 3 392.459 3.762 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(C(F)(F)F)c1 ZINC001143459717 835473902 /nfs/dbraw/zinc/47/39/02/835473902.db2.gz ZIYPTXLADWQWNY-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Nc2cnccn2)c1 ZINC000151632532 835676952 /nfs/dbraw/zinc/67/69/52/835676952.db2.gz MZDOLWJIGPORLA-UHFFFAOYSA-N -1 3 399.248 3.618 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1C ZINC000134443121 835722332 /nfs/dbraw/zinc/72/23/32/835722332.db2.gz SYCRVBNZHZFOJH-UHFFFAOYSA-N -1 3 388.367 3.653 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549676034 844094320 /nfs/dbraw/zinc/09/43/20/844094320.db2.gz IDNJWERLKNDZAR-OAHLLOKOSA-N -1 3 376.460 3.748 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@@H]3CC3CCCC3)c(=O)c2c(OC)c1 ZINC000628027326 835927945 /nfs/dbraw/zinc/92/79/45/835927945.db2.gz RYTOIMSRDQCOEI-OAHLLOKOSA-N -1 3 384.476 3.730 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C2CC2)c1 ZINC000584392327 835972014 /nfs/dbraw/zinc/97/20/14/835972014.db2.gz CYIHRXTVZAJJSN-QRWLVFNGSA-N -1 3 378.472 3.752 20 0 GHADHM O=C([N-]c1ncccc1Cl)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000179985866 836007931 /nfs/dbraw/zinc/00/79/31/836007931.db2.gz VAYLYGALGNFBKA-UHFFFAOYSA-N -1 3 385.708 3.726 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000045743742 836170496 /nfs/dbraw/zinc/17/04/96/836170496.db2.gz UKCVVTLQFJGPGT-CYBMUJFWSA-N -1 3 385.316 3.798 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc([C@H]2CCCO2)n1 ZINC000154982784 836243653 /nfs/dbraw/zinc/24/36/53/836243653.db2.gz TVZOICDEPZGZOD-CQSZACIVSA-N -1 3 389.868 3.540 20 0 GHADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000471245592 836315911 /nfs/dbraw/zinc/31/59/11/836315911.db2.gz SIHWGQRWUGOGMV-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM COc1cc2c(cc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F)O[C@@H](C)C2 ZINC001266373177 836336230 /nfs/dbraw/zinc/33/62/30/836336230.db2.gz XDQVMHFWJLWGLJ-JTQLQIEISA-N -1 3 383.341 3.705 20 0 GHADHM O=C(NCCNc1ncnc2scc(-c3ccccc3)c21)c1ccc([O-])cc1 ZINC000047537809 836391545 /nfs/dbraw/zinc/39/15/45/836391545.db2.gz LHKHCTLZCXWWFE-UHFFFAOYSA-N -1 3 390.468 3.906 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000685884784 836394593 /nfs/dbraw/zinc/39/45/93/836394593.db2.gz SYMFMYQRJYVNRV-GOSISDBHSA-N -1 3 393.270 3.696 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409715054 836532956 /nfs/dbraw/zinc/53/29/56/836532956.db2.gz ZCILOCBHKIRSRR-KXBFYZLASA-N -1 3 390.252 3.814 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)nn1 ZINC000683345385 836559269 /nfs/dbraw/zinc/55/92/69/836559269.db2.gz XAXGDGSHEXJCHO-INIZCTEOSA-N -1 3 396.520 3.896 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000612748026 836697722 /nfs/dbraw/zinc/69/77/22/836697722.db2.gz QVBDQKNXWNBDLL-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000612748026 836697727 /nfs/dbraw/zinc/69/77/27/836697727.db2.gz QVBDQKNXWNBDLL-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(NCCC(F)(F)F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000549738515 844197974 /nfs/dbraw/zinc/19/79/74/844197974.db2.gz UNHBDJVDJZMHTB-UHFFFAOYSA-N -1 3 397.578 3.626 20 0 GHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000175555193 836878534 /nfs/dbraw/zinc/87/85/34/836878534.db2.gz ZNCCIRCQHBZNQT-INIZCTEOSA-N -1 3 392.377 3.740 20 0 GHADHM COc1cc(Br)c(CNC[C@H](CC(=O)[O-])CC(C)C)c(OC)c1 ZINC000276977122 844224600 /nfs/dbraw/zinc/22/46/00/844224600.db2.gz HQVZCODXFNSYKH-LBPRGKRZSA-N -1 3 388.302 3.693 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)c2)n1 ZINC000448725885 837008202 /nfs/dbraw/zinc/00/82/02/837008202.db2.gz QQQUJSHRLWSXOZ-INIZCTEOSA-N -1 3 398.507 3.539 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)cc1F ZINC000066306503 837114509 /nfs/dbraw/zinc/11/45/09/837114509.db2.gz YUSXYORKPVYMMU-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032249 844247058 /nfs/dbraw/zinc/24/70/58/844247058.db2.gz VGGVMLLEAVQZQJ-HNNXBMFYSA-N -1 3 394.349 3.534 20 0 GHADHM C[C@@H](C(=O)Nc1cccc2ccccc21)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000580073204 837211567 /nfs/dbraw/zinc/21/15/67/837211567.db2.gz CGUXQQJIPAXAPA-DQLDELGASA-N -1 3 388.467 3.967 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000685916327 837258739 /nfs/dbraw/zinc/25/87/39/837258739.db2.gz NGWULFVXVIJYQC-UHFFFAOYSA-N -1 3 398.481 3.706 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CSc4ccccc4O3)nc2)n1 ZINC000579952378 837999654 /nfs/dbraw/zinc/99/96/54/837999654.db2.gz ZNTFJMZCQPHJAS-HNNXBMFYSA-N -1 3 380.473 3.772 20 0 GHADHM Cc1cc([C@@H](C)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)oc1C(=O)[O-] ZINC000579961937 838084726 /nfs/dbraw/zinc/08/47/26/838084726.db2.gz RMBNRDMWXNONPW-NEPJUHHUSA-N -1 3 385.386 3.979 20 0 GHADHM Cc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000129048396 844301951 /nfs/dbraw/zinc/30/19/51/844301951.db2.gz GERWBIKSMMTVNY-UHFFFAOYSA-N -1 3 387.867 3.734 20 0 GHADHM CCN(CC)C(=O)C1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000468638508 838257065 /nfs/dbraw/zinc/25/70/65/838257065.db2.gz MHJACOOIDWGCRF-UHFFFAOYSA-N -1 3 378.488 3.542 20 0 GHADHM CCC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CC1 ZINC000178185843 838277403 /nfs/dbraw/zinc/27/74/03/838277403.db2.gz DPFQFGDCKWEIGD-UHFFFAOYSA-N -1 3 390.480 3.855 20 0 GHADHM CC1(C)C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000134993894 838315537 /nfs/dbraw/zinc/31/55/37/838315537.db2.gz CDRUSCWCRXPVEI-RTBURBONSA-N -1 3 378.472 3.536 20 0 GHADHM CC(C)Cn1nccc1CN[C@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000647646703 838319300 /nfs/dbraw/zinc/31/93/00/838319300.db2.gz JYDNUTYMAXUYFU-GUYCJALGSA-N -1 3 394.313 3.853 20 0 GHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cccc(F)c3F)cc2c1C ZINC000473405083 844322150 /nfs/dbraw/zinc/32/21/50/844322150.db2.gz JIZOHHVNRMFRSD-UHFFFAOYSA-N -1 3 395.383 3.997 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)c2ncc(F)cc2F)sc2c1CCOC2 ZINC000416017887 838410197 /nfs/dbraw/zinc/41/01/97/838410197.db2.gz KKXFXSPIIYTFOF-UHFFFAOYSA-N -1 3 396.415 3.702 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000613594694 838544656 /nfs/dbraw/zinc/54/46/56/838544656.db2.gz HGOPJYHKPJRLIU-ZIAGYGMSSA-N -1 3 393.484 3.605 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000180347412 838566025 /nfs/dbraw/zinc/56/60/25/838566025.db2.gz SMJUWNPZDGITJH-UHFFFAOYSA-N -1 3 378.394 3.759 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CSCc3ccc(Br)cc32)o1 ZINC000657139026 844343328 /nfs/dbraw/zinc/34/33/28/844343328.db2.gz WGLJYBDPFUCFSI-ZDUSSCGKSA-N -1 3 388.308 3.617 20 0 GHADHM CC[C@H](CC(F)F)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000659790072 838670720 /nfs/dbraw/zinc/67/07/20/838670720.db2.gz WLYMYSGAKINITD-QMTHXVAHSA-N -1 3 376.241 3.942 20 0 GHADHM Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cccc1C(F)(F)F ZINC000182612928 838755766 /nfs/dbraw/zinc/75/57/66/838755766.db2.gz BMMJAOBBBPEGBJ-INIZCTEOSA-N -1 3 392.377 3.963 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3cccc4n[n-]nc43)n2)cc1Cl ZINC000188485483 838834137 /nfs/dbraw/zinc/83/41/37/838834137.db2.gz QZQUHQMHKMTVLO-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM COc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182999480 838882962 /nfs/dbraw/zinc/88/29/62/838882962.db2.gz ULKXNBRXELUZOB-HXUWFJFHSA-N -1 3 390.439 3.901 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416284958 838890570 /nfs/dbraw/zinc/89/05/70/838890570.db2.gz GNPVNDFZBSOOAH-MOPGFXCFSA-N -1 3 396.535 3.746 20 0 GHADHM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@H]1C ZINC000416323993 838963222 /nfs/dbraw/zinc/96/32/22/838963222.db2.gz VYHYXWOFDUHUBG-KFWWJZLASA-N -1 3 390.480 3.743 20 0 GHADHM C[C@H]1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000431866932 839068543 /nfs/dbraw/zinc/06/85/43/839068543.db2.gz XKBWQZHFFPRDJL-LBPRGKRZSA-N -1 3 389.249 3.508 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccc(COCc2ccccc2)cc1 ZINC000580231090 839094369 /nfs/dbraw/zinc/09/43/69/839094369.db2.gz OEUKBELUSIEBRJ-UHFFFAOYSA-N -1 3 386.455 3.795 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000544101758 839095063 /nfs/dbraw/zinc/09/50/63/839095063.db2.gz YUYZZDXAGXJABC-MNOVXSKESA-N -1 3 396.734 3.586 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC000110333999 844401579 /nfs/dbraw/zinc/40/15/79/844401579.db2.gz VNYUESKLHMLUNQ-UHFFFAOYSA-N -1 3 381.453 3.927 20 0 GHADHM O=c1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c2ccc([O-])cc2o1 ZINC000182822218 839161062 /nfs/dbraw/zinc/16/10/62/839161062.db2.gz LQEWLHIEXCFWTM-ZDUSSCGKSA-N -1 3 393.365 3.551 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000576409992 844410354 /nfs/dbraw/zinc/41/03/54/844410354.db2.gz GGJYFWDPIDJULI-LLVKDONJSA-N -1 3 394.294 3.861 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(OC)cc3)c2)n1 ZINC000049302134 839314243 /nfs/dbraw/zinc/31/42/43/839314243.db2.gz SXVQPQWSAATTPK-FMIVXFBMSA-N -1 3 375.428 3.660 20 0 GHADHM COC(=O)[C@H]1CCCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000378565463 839341716 /nfs/dbraw/zinc/34/17/16/839341716.db2.gz DVXKQXBMHFVGGF-CYBMUJFWSA-N -1 3 387.461 3.575 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)nc1C ZINC000416547421 839399795 /nfs/dbraw/zinc/39/97/95/839399795.db2.gz MTWABHXKMXPOKT-UHFFFAOYSA-N -1 3 378.803 3.849 20 0 GHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000580370066 839404282 /nfs/dbraw/zinc/40/42/82/839404282.db2.gz QPADHHZBDDOADJ-UHFFFAOYSA-N -1 3 381.881 3.948 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)cc1Cl ZINC000416552303 839406892 /nfs/dbraw/zinc/40/68/92/839406892.db2.gz BQGUUECBLGQTNB-UHFFFAOYSA-N -1 3 398.834 3.540 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC(F)F)c1)c1ccc(Br)s1 ZINC000051157500 839436810 /nfs/dbraw/zinc/43/68/10/839436810.db2.gz BTLLSXALNZCSDK-UHFFFAOYSA-N -1 3 398.250 3.591 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1c(Cl)cccc1Br ZINC000314077219 839511069 /nfs/dbraw/zinc/51/10/69/839511069.db2.gz VOLUZWAVMYWYPB-SMDDNHRTSA-N -1 3 386.698 3.937 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCOCC3)cc2)cc1 ZINC000377461851 839557581 /nfs/dbraw/zinc/55/75/81/839557581.db2.gz CGOIYJPMTXUGNL-INIZCTEOSA-N -1 3 388.489 3.551 20 0 GHADHM CC(C)c1noc([C@@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000053020671 839570332 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ZINC000614115267 844620960 /nfs/dbraw/zinc/62/09/60/844620960.db2.gz QFFVZKQEGWCOFU-UHFFFAOYSA-N -1 3 392.440 3.690 20 0 GHADHM CC(C)(C)CCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000500085480 841400777 /nfs/dbraw/zinc/40/07/77/841400777.db2.gz ZXYWYLSBFIRRMF-IBGZPJMESA-N -1 3 388.533 3.592 20 0 GHADHM Cc1cc(Br)c(Cl)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000656575768 841470937 /nfs/dbraw/zinc/47/09/37/841470937.db2.gz KFDRCJPXIRVJSW-MRVPVSSYSA-N -1 3 385.567 3.788 20 0 GHADHM Cc1ccc(S(=O)(=O)N(C(=O)c2ccc(C#N)cc2)c2ccc([O-])cc2)cc1 ZINC000066870081 841529660 /nfs/dbraw/zinc/52/96/60/841529660.db2.gz AZZNSPBZBBWFRQ-UHFFFAOYSA-N -1 3 392.436 3.608 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)cc(Cl)c1OC ZINC000656630805 841619152 /nfs/dbraw/zinc/61/91/52/841619152.db2.gz CQSQHUDXNVUWTC-INIZCTEOSA-N -1 3 391.917 3.694 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl)[C@H]1CCOC1 ZINC000656629371 841620052 /nfs/dbraw/zinc/62/00/52/841620052.db2.gz 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3.514 20 0 GHADHM CCc1nc2ccccc2n1Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000119503727 842253477 /nfs/dbraw/zinc/25/34/77/842253477.db2.gz NXDZAYCWWYROCN-UHFFFAOYSA-N -1 3 382.514 3.983 20 0 GHADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730809623 861297334 /nfs/dbraw/zinc/29/73/34/861297334.db2.gz IXEJEYDLGRGPAJ-ZWNOBZJWSA-N -1 3 394.306 3.844 20 0 GHADHM O=C(NCC1CCc2ccccc2CC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001167839075 842338187 /nfs/dbraw/zinc/33/81/87/842338187.db2.gz AGASVQZGTCPRKG-UHFFFAOYSA-N -1 3 382.410 3.731 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CC=C(c3cccc4ccccc43)CC1)c2[O-] ZINC000511907010 842365374 /nfs/dbraw/zinc/36/53/74/842365374.db2.gz ATZUHLSISRCJIX-UHFFFAOYSA-N -1 3 384.439 3.757 20 0 GHADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000432410982 842408969 /nfs/dbraw/zinc/40/89/69/842408969.db2.gz UDVVJSLJVHGLAQ-SNVBAGLBSA-N -1 3 376.463 3.709 20 0 GHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000544672463 842414845 /nfs/dbraw/zinc/41/48/45/842414845.db2.gz IEJPIJCUMGNORL-ZETCQYMHSA-N -1 3 395.369 3.666 20 0 GHADHM COc1cccc(OC)c1OCCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652469749 842592299 /nfs/dbraw/zinc/59/22/99/842592299.db2.gz DLNHNWAXRIOPHZ-SFHVURJKSA-N -1 3 385.460 3.547 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1c(Cl)cccc1Cl ZINC000657028600 842652162 /nfs/dbraw/zinc/65/21/62/842652162.db2.gz WYNVKIBBVQYCDP-SECBINFHSA-N -1 3 386.247 3.531 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c(C)c1 ZINC000432496847 842692104 /nfs/dbraw/zinc/69/21/04/842692104.db2.gz NBMZISREWXBQDX-SFHVURJKSA-N -1 3 390.505 3.580 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184436001 842742090 /nfs/dbraw/zinc/74/20/90/842742090.db2.gz KAHZSZVTEMNNMZ-AWEZNQCLSA-N -1 3 376.859 3.921 20 0 GHADHM CC[C@]([N-]S(=O)(=O)c1ccc2ccccc2c1)(C(=O)OC)c1ccccc1 ZINC000510517843 842900254 /nfs/dbraw/zinc/90/02/54/842900254.db2.gz LXDFYNCTRZXINX-OAQYLSRUSA-N -1 3 383.469 3.597 20 0 GHADHM COc1ccc(Br)c(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000663260984 842942219 /nfs/dbraw/zinc/94/22/19/842942219.db2.gz FZDXDUCOWCOBJC-SNVBAGLBSA-N -1 3 384.192 3.591 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588528 861370188 /nfs/dbraw/zinc/37/01/88/861370188.db2.gz IAUMYVBKQHKQRX-UONOGXRCSA-N -1 3 397.475 3.881 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)cc1F ZINC000471887299 843249044 /nfs/dbraw/zinc/24/90/44/843249044.db2.gz JDSBCMPIIFRPQB-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)ccc1F ZINC000471893372 843290120 /nfs/dbraw/zinc/29/01/20/843290120.db2.gz QUVZNHVOJCJDOV-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM COC(=O)c1cnc(SCc2nnc(-c3c(Cl)cccc3Cl)o2)[n-]1 ZINC000432669286 843391780 /nfs/dbraw/zinc/39/17/80/843391780.db2.gz LMASOHPEBPKVEY-UHFFFAOYSA-N -1 3 385.232 3.845 20 0 GHADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3ncn(C4CCCCC4)n3)sc21 ZINC000279856124 843434077 /nfs/dbraw/zinc/43/40/77/843434077.db2.gz BFDMKEFQNZUOJR-UHFFFAOYSA-N -1 3 380.424 3.921 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cnc4c(cnn4C)c3[O-])cc2)cs1 ZINC000511976002 843467848 /nfs/dbraw/zinc/46/78/48/843467848.db2.gz YBJWTHDQNKWIJH-NSHDSACASA-N -1 3 393.472 3.597 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000091924282 843468523 /nfs/dbraw/zinc/46/85/23/843468523.db2.gz SADPWCJUDYXUMN-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM CC(C)O[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000481458571 861420740 /nfs/dbraw/zinc/42/07/40/861420740.db2.gz ZNSNCSURANAIOK-KRWDZBQOSA-N -1 3 378.266 3.937 20 0 GHADHM O=C(Nc1cccc([O-])c1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000535658915 843495634 /nfs/dbraw/zinc/49/56/34/843495634.db2.gz OULNVCDTHROEJN-UHFFFAOYSA-N -1 3 383.345 3.800 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Br)cc1F)c1ccc(Cl)s1 ZINC000731037460 861424594 /nfs/dbraw/zinc/42/45/94/861424594.db2.gz NHCOUENYMUFUIP-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000431068646 843536844 /nfs/dbraw/zinc/53/68/44/843536844.db2.gz CRNABGHRNDHNGL-SNVBAGLBSA-N -1 3 384.885 3.998 20 0 GHADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000432765118 843749664 /nfs/dbraw/zinc/74/96/64/843749664.db2.gz YCYXBYQGRZMHHK-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM O=c1nc(CN2CC[C@H](COC(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000512822589 843804655 /nfs/dbraw/zinc/80/46/55/843804655.db2.gz HEAZZECEIVQILU-JTQLQIEISA-N -1 3 381.404 3.718 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cncc3ccccc32)[nH][n-]1 ZINC000512845384 843878150 /nfs/dbraw/zinc/87/81/50/843878150.db2.gz KVRREWSGVJCKBM-UHFFFAOYSA-N -1 3 378.819 3.961 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3c(c2)OCCCO3)[nH][n-]1 ZINC000512849238 843882694 /nfs/dbraw/zinc/88/26/94/843882694.db2.gz MWOALRWYAMJCNA-UHFFFAOYSA-N -1 3 399.834 3.574 20 0 GHADHM C[C@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Br)cc1 ZINC000433238289 843887740 /nfs/dbraw/zinc/88/77/40/843887740.db2.gz FPHLNACRTAPABV-GFCCVEGCSA-N -1 3 385.265 3.788 20 0 GHADHM COc1ccccc1CCC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000512854115 843891362 /nfs/dbraw/zinc/89/13/62/843891362.db2.gz HLJBWKSNWBHNIW-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)no1 ZINC000429875106 844713895 /nfs/dbraw/zinc/71/38/95/844713895.db2.gz CIZVIEWVCKRQGX-UHFFFAOYSA-N -1 3 393.292 3.775 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)OC)c(F)c3)c2)n1 ZINC000610866014 844716548 /nfs/dbraw/zinc/71/65/48/844716548.db2.gz MFJFSWYGVJUTII-UHFFFAOYSA-N -1 3 395.390 3.590 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1-n1cccn1 ZINC000513166871 844892561 /nfs/dbraw/zinc/89/25/61/844892561.db2.gz SNZYFYRQPGLAQO-UHFFFAOYSA-N -1 3 385.420 3.545 20 0 GHADHM CSc1nc(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)n[n-]1 ZINC000500982622 845026326 /nfs/dbraw/zinc/02/63/26/845026326.db2.gz LJIQOBXMCHMFAL-UHFFFAOYSA-N -1 3 398.488 3.556 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)o1 ZINC000469810028 845055055 /nfs/dbraw/zinc/05/50/55/845055055.db2.gz VRJUCYMSNATBFZ-HNNXBMFYSA-N -1 3 392.304 3.956 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1-c1ncco1 ZINC000150943472 845098912 /nfs/dbraw/zinc/09/89/12/845098912.db2.gz ZYRIKQSWNBMBIZ-SFHVURJKSA-N -1 3 391.427 3.599 20 0 GHADHM O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)NCc1ncccc1[O-] ZINC000471993181 845101084 /nfs/dbraw/zinc/10/10/84/845101084.db2.gz RYEXGFCUZCIPNX-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)[nH]nc3C(F)(F)F)c2)n1 ZINC000673736729 861541651 /nfs/dbraw/zinc/54/16/51/861541651.db2.gz OTDUIEGSYYNPIO-UHFFFAOYSA-N -1 3 391.353 3.714 20 0 GHADHM COc1ccc(/C=C\C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000255437241 845267331 /nfs/dbraw/zinc/26/73/31/845267331.db2.gz VQNPVPHROSHWPG-YVMONPNESA-N -1 3 392.249 3.502 20 0 GHADHM COc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)[n-]1 ZINC000179372729 861552608 /nfs/dbraw/zinc/55/26/08/861552608.db2.gz PDNFVDORQJJPNS-UHFFFAOYSA-N -1 3 379.351 3.527 20 0 GHADHM COc1nc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n[n-]1 ZINC000179372729 861552622 /nfs/dbraw/zinc/55/26/22/861552622.db2.gz PDNFVDORQJJPNS-UHFFFAOYSA-N -1 3 379.351 3.527 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1 ZINC000179372729 861552638 /nfs/dbraw/zinc/55/26/38/861552638.db2.gz PDNFVDORQJJPNS-UHFFFAOYSA-N -1 3 379.351 3.527 20 0 GHADHM CC1(C)C[C@H](Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)CO1 ZINC000657241343 845340552 /nfs/dbraw/zinc/34/05/52/845340552.db2.gz MNSXKBSLZXYSIQ-LBPRGKRZSA-N -1 3 376.869 3.834 20 0 GHADHM CCCc1ccc(CCCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000843596909 845387104 /nfs/dbraw/zinc/38/71/04/845387104.db2.gz BXLHPBFVMQMTQF-SFHVURJKSA-N -1 3 398.469 3.879 20 0 GHADHM COc1ccc(NC(=S)N[N-]C(=O)c2cccc(Cl)c2Cl)cc1F ZINC000067195925 845562891 /nfs/dbraw/zinc/56/28/91/845562891.db2.gz MGDITTNXHONKMR-UHFFFAOYSA-N -1 3 388.251 3.773 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Cl)c(Br)c1 ZINC000512800241 845582494 /nfs/dbraw/zinc/58/24/94/845582494.db2.gz YUEOGIRKSPBAJE-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000657285165 845669882 /nfs/dbraw/zinc/66/98/82/845669882.db2.gz XJNUQUXPMDMRBP-LLVKDONJSA-N -1 3 394.460 3.694 20 0 GHADHM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NCc1ncccc1[O-] ZINC000472068849 845687763 /nfs/dbraw/zinc/68/77/63/845687763.db2.gz GRYNFDDOJXNBCH-UHFFFAOYSA-N -1 3 392.189 3.695 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cnc(C(F)(F)F)nc1 ZINC000159162274 861611371 /nfs/dbraw/zinc/61/13/71/861611371.db2.gz WZAWHEFTEGLXFS-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000600329656 861622319 /nfs/dbraw/zinc/62/23/19/861622319.db2.gz FSCAGTSLOGOWPN-GFCCVEGCSA-N -1 3 393.386 3.572 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)cc1 ZINC000513637407 846177535 /nfs/dbraw/zinc/17/75/35/846177535.db2.gz JYFDTHLUXUGWEI-QXMHVHEDSA-N -1 3 382.489 3.818 20 0 GHADHM CCCCc1nc(NC(=O)C=C(C)c2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC001269124362 846187603 /nfs/dbraw/zinc/18/76/03/846187603.db2.gz SZMOGMPNDYXLCW-YPKPFQOOSA-N -1 3 385.464 3.980 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000513662578 846228104 /nfs/dbraw/zinc/22/81/04/846228104.db2.gz XNLAMTYHEYTKNR-SNVBAGLBSA-N -1 3 375.341 3.802 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c(=O)[n-]1 ZINC000472165814 846347492 /nfs/dbraw/zinc/34/74/92/846347492.db2.gz YPELJQLZAUGOKM-UHFFFAOYSA-N -1 3 398.850 3.608 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000548695801 846521154 /nfs/dbraw/zinc/52/11/54/846521154.db2.gz ITFATQFWKPTRHA-UHFFFAOYSA-N -1 3 376.522 3.791 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(SC)ccc2C)cc1OC ZINC000108575772 846548180 /nfs/dbraw/zinc/54/81/80/846548180.db2.gz LGVUJHOIYKJCKK-UHFFFAOYSA-N -1 3 394.518 3.739 20 0 GHADHM COc1ccc(C[NH2+][C@H]2CCCCCC[C@@H]2C(=O)[O-])c(Br)c1[O-] ZINC000277510210 846598928 /nfs/dbraw/zinc/59/89/28/846598928.db2.gz YEPJZSZHAWLRDY-STQMWFEESA-N -1 3 386.286 3.677 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600355742 861700722 /nfs/dbraw/zinc/70/07/22/861700722.db2.gz JOPYCUJMNCPVGM-ABAIWWIYSA-N -1 3 387.398 3.851 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000421927210 846690975 /nfs/dbraw/zinc/69/09/75/846690975.db2.gz RFTHDTQHCQKFNJ-ZBFHGGJFSA-N -1 3 379.472 3.823 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000421984403 846721076 /nfs/dbraw/zinc/72/10/76/846721076.db2.gz IUFKXTHJXUDAQF-GDBMZVCRSA-N -1 3 379.472 3.680 20 0 GHADHM CCCOc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1OCCC ZINC000503034228 846735670 /nfs/dbraw/zinc/73/56/70/846735670.db2.gz POQQMHKHXPGOBC-UHFFFAOYSA-N -1 3 380.448 3.724 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000503160151 846854941 /nfs/dbraw/zinc/85/49/41/846854941.db2.gz MNXVFRLSKAAUJP-CQSZACIVSA-N -1 3 393.582 3.884 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1c[n-]c2ccccc2c1=O ZINC000115402782 846869047 /nfs/dbraw/zinc/86/90/47/846869047.db2.gz IQZRFOHMVFUWRS-UHFFFAOYSA-N -1 3 397.272 3.752 20 0 GHADHM O=C(Nc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1)c1ccccc1 ZINC000503187145 846894174 /nfs/dbraw/zinc/89/41/74/846894174.db2.gz ALTHBCJAZOZVMC-UHFFFAOYSA-N -1 3 375.363 3.602 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2cc(F)c(C(F)(F)F)cc2F)nc(C2CC2)[n-]1 ZINC000582349485 846918177 /nfs/dbraw/zinc/91/81/77/846918177.db2.gz VSVPNYCOVIXUDZ-SANMLTNESA-N -1 3 392.349 3.806 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(SC)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000272107652 846992696 /nfs/dbraw/zinc/99/26/96/846992696.db2.gz PUQBYEJAPDXIFS-LBPRGKRZSA-N -1 3 396.534 3.970 20 0 GHADHM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000513770185 847042830 /nfs/dbraw/zinc/04/28/30/847042830.db2.gz WABSGWOLGQRUDB-UHFFFAOYSA-N -1 3 397.360 3.662 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2ccc(Br)s2)cc1 ZINC000731605026 861755750 /nfs/dbraw/zinc/75/57/50/861755750.db2.gz VRWJCXVHWRQJQJ-UHFFFAOYSA-N -1 3 390.205 3.611 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[n-]1 ZINC000501728499 847135950 /nfs/dbraw/zinc/13/59/50/847135950.db2.gz LHJMFTAOYFXTDZ-CYBMUJFWSA-N -1 3 392.839 3.655 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c(C)c1 ZINC000501824089 847212583 /nfs/dbraw/zinc/21/25/83/847212583.db2.gz HXKDNSZNIYIKJC-UHFFFAOYSA-N -1 3 385.445 3.777 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3CC(OCc4ccccc4)C3)cc2)n1 ZINC000673796995 861767985 /nfs/dbraw/zinc/76/79/85/861767985.db2.gz SCOVAJJWQIBKMG-UHFFFAOYSA-N -1 3 389.455 3.679 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCSC3)cc2)cc1 ZINC000582449901 847272520 /nfs/dbraw/zinc/27/25/20/847272520.db2.gz VURPYIZZYBYKBF-HNNXBMFYSA-N -1 3 390.530 3.878 20 0 GHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420685265 847370693 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391.467 3.649 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000732264694 862179139 /nfs/dbraw/zinc/17/91/39/862179139.db2.gz ILTQHTCOSBMKHE-ZDUSSCGKSA-N -1 3 390.468 3.965 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCCC2)C(C)(C)C)c(C)o1 ZINC000434260195 850936433 /nfs/dbraw/zinc/93/64/33/850936433.db2.gz OIWNPTDVCCPNJT-MRXNPFEDSA-N -1 3 384.542 3.611 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS(=O)(=O)c1cccc([O-])c1 ZINC000435874191 850948874 /nfs/dbraw/zinc/94/88/74/850948874.db2.gz ZQNYMNNJCZTIJK-UHFFFAOYSA-N -1 3 390.892 3.881 20 0 GHADHM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2cccc(CN3CCCCC3)c2)n1 ZINC000910104641 851001173 /nfs/dbraw/zinc/00/11/73/851001173.db2.gz SDHAPNFJFGNXHB-SFHVURJKSA-N -1 3 399.516 3.805 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000910311950 851120412 /nfs/dbraw/zinc/12/04/12/851120412.db2.gz DQCWASXNXWIMTH-INIZCTEOSA-N -1 3 399.800 3.702 20 0 GHADHM Cn1c(CNCCc2ccccc2C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426650918 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3.907 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425106442 851345438 /nfs/dbraw/zinc/34/54/38/851345438.db2.gz KPZMLPPMPYZXIM-UYAOXDASSA-N -1 3 377.843 3.842 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3cnc4ccccc4n3)c2)n1 ZINC000211252721 851353641 /nfs/dbraw/zinc/35/36/41/851353641.db2.gz MDAZQHHZLRDBLL-KHPPLWFESA-N -1 3 397.438 3.594 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1F ZINC000515720849 851393063 /nfs/dbraw/zinc/39/30/63/851393063.db2.gz USPVIKZNMCUWCG-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000550087930 851447733 /nfs/dbraw/zinc/44/77/33/851447733.db2.gz WERMMZGPFOMNKQ-INIZCTEOSA-N -1 3 376.865 3.508 20 0 GHADHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3[O-])n2)o1 ZINC000048678054 851465255 /nfs/dbraw/zinc/46/52/55/851465255.db2.gz XJNYRDMCPAFZQO-UHFFFAOYSA-N -1 3 385.445 3.614 20 0 GHADHM CN(CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1)CC(C)(C)C ZINC000910951369 851475740 /nfs/dbraw/zinc/47/57/40/851475740.db2.gz GZMASFAGRABRHD-UHFFFAOYSA-N -1 3 385.508 3.550 20 0 GHADHM CC(C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000732392861 862256339 /nfs/dbraw/zinc/25/63/39/862256339.db2.gz IDUBJMYZAHODFD-HNNXBMFYSA-N -1 3 382.338 3.626 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2cccc(CC(=O)[O-])c2)c2cccs2)CC1 ZINC000911104356 851573845 /nfs/dbraw/zinc/57/38/45/851573845.db2.gz UVNZVXQPUVUBOS-SFHVURJKSA-N -1 3 386.517 3.578 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc(Br)c1 ZINC000430107192 851583967 /nfs/dbraw/zinc/58/39/67/851583967.db2.gz RJDIZYIOVSFZHM-UHFFFAOYSA-N -1 3 395.054 3.534 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C)c(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000911133391 851586814 /nfs/dbraw/zinc/58/68/14/851586814.db2.gz YFBNSQRCNQCVNC-FQEVSTJZSA-N -1 3 384.476 3.515 20 0 GHADHM CCN(CC)[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccsc1 ZINC000911192651 851615762 /nfs/dbraw/zinc/61/57/62/851615762.db2.gz XMHKFPIEGSTTLH-PBPGXSGUSA-N -1 3 378.538 3.672 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1sc2cccc(F)c2c1C ZINC000911279298 851659896 /nfs/dbraw/zinc/65/98/96/851659896.db2.gz HCCTZGVMYYMYGA-CQSZACIVSA-N -1 3 392.496 3.750 20 0 GHADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911300554 851672690 /nfs/dbraw/zinc/67/26/90/851672690.db2.gz OQEXJDWUULRMDO-UHFFFAOYSA-N -1 3 396.821 3.520 20 0 GHADHM O=C(Cc1coc2cc(F)ccc12)NCc1ccc([O-])c(Br)c1 ZINC000488671966 851686508 /nfs/dbraw/zinc/68/65/08/851686508.db2.gz HANIMXWAUNXDTG-UHFFFAOYSA-N -1 3 378.197 3.899 20 0 GHADHM Cc1ccnn1-c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488678323 851701947 /nfs/dbraw/zinc/70/19/47/851701947.db2.gz UICXCVKDCOMNIT-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM CC1(C)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)(C)CN1Cc1ccccc1 ZINC000911501000 851761631 /nfs/dbraw/zinc/76/16/31/851761631.db2.gz QGILOUVUCDWRQC-MOPGFXCFSA-N -1 3 386.536 3.779 20 0 GHADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000911544630 851779777 /nfs/dbraw/zinc/77/97/77/851779777.db2.gz BEXUTGYAYSNHHW-UHFFFAOYSA-N -1 3 399.535 3.768 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCc2ccccc2C1 ZINC000488886317 851857318 /nfs/dbraw/zinc/85/73/18/851857318.db2.gz OWBPAANZBDOFEB-KRWDZBQOSA-N -1 3 396.915 3.594 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C(F)=Cc2ccc(C(F)(F)F)cc2)n1 ZINC000911809683 851904871 /nfs/dbraw/zinc/90/48/71/851904871.db2.gz ODTFDNYKGOYZKB-LCYFTJDESA-N -1 3 383.345 3.871 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000911914773 851966207 /nfs/dbraw/zinc/96/62/07/851966207.db2.gz IEPVOCPVYBMNEV-HNNXBMFYSA-N -1 3 387.867 3.871 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000112039782 851994923 /nfs/dbraw/zinc/99/49/23/851994923.db2.gz MQVLEDGTRLEIKT-UHFFFAOYSA-N -1 3 388.489 3.715 20 0 GHADHM CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])c2ccccc2O1 ZINC000436546199 852033553 /nfs/dbraw/zinc/03/35/53/852033553.db2.gz UFAOAILAILPHDW-HXUWFJFHSA-N -1 3 396.487 3.722 20 0 GHADHM Cc1nc(C)c(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436554012 852041738 /nfs/dbraw/zinc/04/17/38/852041738.db2.gz FWGQYLNOXMTAAS-SFHVURJKSA-N -1 3 395.484 3.965 20 0 GHADHM O=C(Nc1ccnn1C[C@H]1CCOC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436542042 852056353 /nfs/dbraw/zinc/05/63/53/852056353.db2.gz CBTLMCXIWMRXSV-LJQANCHMSA-N -1 3 391.471 3.663 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000436561428 852065108 /nfs/dbraw/zinc/06/51/08/852065108.db2.gz CBIIAAWSANKZAP-LJQANCHMSA-N -1 3 375.472 3.920 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c([O-])c1 ZINC000436561138 852065299 /nfs/dbraw/zinc/06/52/99/852065299.db2.gz DSMGAPOPPTZBCP-HNNXBMFYSA-N -1 3 399.466 3.905 20 0 GHADHM CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436569231 852072463 /nfs/dbraw/zinc/07/24/63/852072463.db2.gz BLVHRTHZNMHBDD-UHFFFAOYSA-N -1 3 389.448 3.574 20 0 GHADHM CCOc1c(Cl)cc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000436598559 852085816 /nfs/dbraw/zinc/08/58/16/852085816.db2.gz AKTSOVWDPLKDPK-UHFFFAOYSA-N -1 3 377.824 3.586 20 0 GHADHM COc1cc2c(c(OC)c1OC)CCN(C(=O)c1ccc(C(C)C)cc1[O-])CC2 ZINC000436599146 852099659 /nfs/dbraw/zinc/09/96/59/852099659.db2.gz CLDQIHFIXSCFHU-UHFFFAOYSA-N -1 3 399.487 3.782 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3cccc(OCC)c23)c([O-])c1 ZINC000438163895 852102142 /nfs/dbraw/zinc/10/21/42/852102142.db2.gz WEQMDJSRMCKMAW-UHFFFAOYSA-N -1 3 382.416 3.630 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c2cccnc12 ZINC000516063187 852115540 /nfs/dbraw/zinc/11/55/40/852115540.db2.gz OAUMYMXFAGGFSW-GOSISDBHSA-N -1 3 397.500 3.729 20 0 GHADHM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436616460 852116255 /nfs/dbraw/zinc/11/62/55/852116255.db2.gz IFGQZVBIJXPWPC-UHFFFAOYSA-N -1 3 375.424 3.984 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@H](C)[S@@]1=O ZINC000436626949 852120221 /nfs/dbraw/zinc/12/02/21/852120221.db2.gz QYQVZRMMNTVVHW-TUZCJGOLSA-N -1 3 385.529 3.549 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])c(OCC(F)(F)F)c1 ZINC000436653094 852141732 /nfs/dbraw/zinc/14/17/32/852141732.db2.gz CUQDXRZIGSYKLX-UHFFFAOYSA-N -1 3 383.322 3.681 20 0 GHADHM O=C(Nc1cccc(C(F)F)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436654388 852144668 /nfs/dbraw/zinc/14/46/68/852144668.db2.gz ISCSLZRKPQAHJI-UHFFFAOYSA-N -1 3 389.402 3.756 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccccc2Cl)c([O-])c1 ZINC000436664781 852161415 /nfs/dbraw/zinc/16/14/15/852161415.db2.gz KTTIRFYYICDKEE-SFHVURJKSA-N -1 3 386.879 3.838 20 0 GHADHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)cc(Br)c1[O-] ZINC000426671197 852174547 /nfs/dbraw/zinc/17/45/47/852174547.db2.gz VCLOVDHEKDAYBP-AWEZNQCLSA-N -1 3 394.265 3.511 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CN(CC(F)F)C1 ZINC000436710069 852206068 /nfs/dbraw/zinc/20/60/68/852206068.db2.gz YJKWENDRQMIPJK-UHFFFAOYSA-N -1 3 389.427 3.804 20 0 GHADHM CN(C)Cc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)no1 ZINC000436709532 852206304 /nfs/dbraw/zinc/20/63/04/852206304.db2.gz OASXNCPFKSSTGX-UHFFFAOYSA-N -1 3 394.456 3.971 20 0 GHADHM CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436697386 852212483 /nfs/dbraw/zinc/21/24/83/852212483.db2.gz MLJHDFUAKLYTGL-LJQANCHMSA-N -1 3 380.488 3.504 20 0 GHADHM O=C(N[C@H](CC(=O)N1CCC[C@@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC000436698415 852214078 /nfs/dbraw/zinc/21/40/78/852214078.db2.gz NVLGWBMNVFBYJN-QZTJIDSGSA-N -1 3 388.414 3.510 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c([O-])c1 ZINC000436705344 852224129 /nfs/dbraw/zinc/22/41/29/852224129.db2.gz JJOIMDAEAZLDLX-UHFFFAOYSA-N -1 3 392.427 3.911 20 0 GHADHM C[C@@H](c1ccccc1)n1cnnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436708161 852224748 /nfs/dbraw/zinc/22/47/48/852224748.db2.gz UMHJDAJWWQYBGE-ZDUSSCGKSA-N -1 3 379.445 3.935 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)Nc3nnc(C(F)(F)F)[n-]3)coc21 ZINC000473839987 852227610 /nfs/dbraw/zinc/22/76/10/852227610.db2.gz BWDDWXDRXUVOTB-UHFFFAOYSA-N -1 3 389.131 3.893 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)Nc3nc(C(F)(F)F)n[n-]3)coc21 ZINC000473839987 852227619 /nfs/dbraw/zinc/22/76/19/852227619.db2.gz BWDDWXDRXUVOTB-UHFFFAOYSA-N -1 3 389.131 3.893 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847127 852255783 /nfs/dbraw/zinc/25/57/83/852255783.db2.gz LZMQYZZZAFRNCN-NSHDSACASA-N -1 3 388.276 3.653 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)c2cc(Cl)c([O-])c(OC)c2)N(C)C)cc1 ZINC000436753553 852298505 /nfs/dbraw/zinc/29/85/05/852298505.db2.gz DXOFJSAUJGBFPH-QGZVFWFLSA-N -1 3 376.884 3.649 20 0 GHADHM CC(C)c1ccc(SCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436771282 852304301 /nfs/dbraw/zinc/30/43/01/852304301.db2.gz TZLFAIQXQXADMK-UHFFFAOYSA-N -1 3 398.528 3.592 20 0 GHADHM CC(C)SCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436766824 852322323 /nfs/dbraw/zinc/32/23/23/852322323.db2.gz DWWXMMAYUISEEC-LJQANCHMSA-N -1 3 386.517 3.511 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000436786813 852340320 /nfs/dbraw/zinc/34/03/20/852340320.db2.gz KQXOWPIBPBQFAI-JTQLQIEISA-N -1 3 382.338 3.740 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H](CC3CCCC3)C(=O)[O-])cs2)cc1 ZINC000426745429 852346298 /nfs/dbraw/zinc/34/62/98/852346298.db2.gz ZYJDIBIPNRDQOQ-SFHVURJKSA-N -1 3 390.505 3.854 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1ccccc1Cl ZINC000436792828 852350184 /nfs/dbraw/zinc/35/01/84/852350184.db2.gz YDFOJZMKLACFRM-AWEZNQCLSA-N -1 3 376.840 3.591 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000436812930 852372566 /nfs/dbraw/zinc/37/25/66/852372566.db2.gz YOHHDYHKCKHOMX-OAHLLOKOSA-N -1 3 375.266 3.871 20 0 GHADHM CC(C)N1CCc2nc(NC(=O)c3cc(Br)ccc3[O-])sc2C1 ZINC000436829471 852379051 /nfs/dbraw/zinc/37/90/51/852379051.db2.gz BFMUMGKOKTZCLI-UHFFFAOYSA-N -1 3 396.310 3.630 20 0 GHADHM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc(O)cc1[O-] ZINC000436829306 852379226 /nfs/dbraw/zinc/37/92/26/852379226.db2.gz LIKZJEWIKGRJBK-UHFFFAOYSA-N -1 3 395.286 3.799 20 0 GHADHM CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436832059 852381544 /nfs/dbraw/zinc/38/15/44/852381544.db2.gz ROUHLVYAPVXREQ-SFHVURJKSA-N -1 3 381.394 3.563 20 0 GHADHM C[C@@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1 ZINC000473849466 852385484 /nfs/dbraw/zinc/38/54/84/852385484.db2.gz KHDGBBKPWPBXSG-XHDPSFHLSA-N -1 3 378.270 3.578 20 0 GHADHM CC(=O)NC1CCC(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436841973 852406596 /nfs/dbraw/zinc/40/65/96/852406596.db2.gz UGRWABZSKHLXDY-UHFFFAOYSA-N -1 3 380.488 3.502 20 0 GHADHM C[C@H](c1ccc(OC(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436844350 852410952 /nfs/dbraw/zinc/41/09/52/852410952.db2.gz FIXMGWDZOYTWNZ-CQSZACIVSA-N -1 3 376.403 3.513 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000489510969 852420438 /nfs/dbraw/zinc/42/04/38/852420438.db2.gz HKEWFINUWWEFQB-MRVPVSSYSA-N -1 3 384.376 3.529 20 0 GHADHM COc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 ZINC000615163952 862355586 /nfs/dbraw/zinc/35/55/86/862355586.db2.gz FIZHUXYDDHSSMN-UHFFFAOYSA-N -1 3 390.288 3.668 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc(OC)c1 ZINC000426821543 852433004 /nfs/dbraw/zinc/43/30/04/852433004.db2.gz UIJAUVKTAOUTRU-KRWDZBQOSA-N -1 3 394.265 3.772 20 0 GHADHM CC(C)(C)C[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000426824622 852437925 /nfs/dbraw/zinc/43/79/25/852437925.db2.gz NLHNWWWWTAFOTM-JTQLQIEISA-N -1 3 394.107 3.586 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CC[C@H](C)C3)cs2)c1 ZINC000436877161 852442230 /nfs/dbraw/zinc/44/22/30/852442230.db2.gz NCFSNTGYPARCAX-WFASDCNBSA-N -1 3 387.505 3.599 20 0 GHADHM CC(C)c1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)no2)c([O-])c1 ZINC000436886485 852459249 /nfs/dbraw/zinc/45/92/49/852459249.db2.gz LEJGIISUZRKJKN-UHFFFAOYSA-N -1 3 395.415 3.518 20 0 GHADHM COc1ccccc1NC(=O)Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436888918 852461329 /nfs/dbraw/zinc/46/13/29/852461329.db2.gz VEULWRQNGNSGFL-UHFFFAOYSA-N -1 3 375.384 3.785 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436906187 852471355 /nfs/dbraw/zinc/47/13/55/852471355.db2.gz AZJXYLNYMIOQEI-UHFFFAOYSA-N -1 3 378.875 3.821 20 0 GHADHM CSc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436919146 852498685 /nfs/dbraw/zinc/49/86/85/852498685.db2.gz LYMCGBYUALRJSL-UHFFFAOYSA-N -1 3 385.489 3.540 20 0 GHADHM Cn1cnnc1Sc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436949953 852512806 /nfs/dbraw/zinc/51/28/06/852512806.db2.gz UGZPBRMFXBLFEU-UHFFFAOYSA-N -1 3 380.473 3.803 20 0 GHADHM Cc1ccc(C(C)(C)CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436941904 852523504 /nfs/dbraw/zinc/52/35/04/852523504.db2.gz FEGBNOBHGGLGPV-UHFFFAOYSA-N -1 3 394.515 3.789 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)cc1F ZINC000506264510 852524646 /nfs/dbraw/zinc/52/46/46/852524646.db2.gz PLLYVSOMCIQKJD-KRWDZBQOSA-N -1 3 395.475 3.941 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000436945692 852528033 /nfs/dbraw/zinc/52/80/33/852528033.db2.gz NKZXYJYIEYKBCO-ZWKOTPCHSA-N -1 3 398.890 3.570 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c1 ZINC000436962230 852532341 /nfs/dbraw/zinc/53/23/41/852532341.db2.gz NJQUSQQDPYDTJS-CRAIPNDOSA-N -1 3 385.464 3.886 20 0 GHADHM CCCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000436955711 852546784 /nfs/dbraw/zinc/54/67/84/852546784.db2.gz LUQNWWQDWMNRBG-LJQANCHMSA-N -1 3 395.503 3.532 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCC[C@H](C)C2)c1 ZINC000436970773 852552709 /nfs/dbraw/zinc/55/27/09/852552709.db2.gz MNHYOKOEOYHMKD-ZFWWWQNUSA-N -1 3 385.464 3.887 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC000473851839 852558489 /nfs/dbraw/zinc/55/84/89/852558489.db2.gz SLAUNHMYMYIESC-LJQANCHMSA-N -1 3 381.407 3.654 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](C)CC[C@H]3C)cs2)c1 ZINC000436976048 852562531 /nfs/dbraw/zinc/56/25/31/852562531.db2.gz AGUGDTQYSWCBBS-UONOGXRCSA-N -1 3 387.505 3.599 20 0 GHADHM CC(C)c1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)n(-c2ncccn2)n1 ZINC000436968537 852573080 /nfs/dbraw/zinc/57/30/80/852573080.db2.gz VVAPFVDDNWPZNI-UHFFFAOYSA-N -1 3 377.448 3.622 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)[n-]1 ZINC000505922908 852577430 /nfs/dbraw/zinc/57/74/30/852577430.db2.gz NJOUVGFPLXITHX-UHFFFAOYSA-N -1 3 379.203 3.546 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000436994514 852585592 /nfs/dbraw/zinc/58/55/92/852585592.db2.gz DILCTFLMTXCTEE-UHFFFAOYSA-N -1 3 380.425 3.878 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cccc(OC(F)(F)F)c1F ZINC000489897688 852631839 /nfs/dbraw/zinc/63/18/39/852631839.db2.gz IDHXQHZGIVWOOS-UHFFFAOYSA-N -1 3 391.333 3.828 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000489903220 852635330 /nfs/dbraw/zinc/63/53/30/852635330.db2.gz YLCMZEVCBKFJQY-HNNXBMFYSA-N -1 3 399.454 3.690 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427064158 852667505 /nfs/dbraw/zinc/66/75/05/852667505.db2.gz IWBCDSYZTXYNHE-LJQANCHMSA-N -1 3 381.505 3.687 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427064158 852667508 /nfs/dbraw/zinc/66/75/08/852667508.db2.gz IWBCDSYZTXYNHE-LJQANCHMSA-N -1 3 381.505 3.687 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427079731 852696459 /nfs/dbraw/zinc/69/64/59/852696459.db2.gz CPJVFXZQYWYZST-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427079731 852696461 /nfs/dbraw/zinc/69/64/61/852696461.db2.gz CPJVFXZQYWYZST-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)CCCC2)ccc1C ZINC000427095768 852711585 /nfs/dbraw/zinc/71/15/85/852711585.db2.gz XGIULPSUZWGLLP-UHFFFAOYSA-N -1 3 391.475 3.558 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)CCCC2)ccc1C ZINC000427095768 852711590 /nfs/dbraw/zinc/71/15/90/852711590.db2.gz XGIULPSUZWGLLP-UHFFFAOYSA-N -1 3 391.475 3.558 20 0 GHADHM COc1ccc([C@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)cc1 ZINC000516576541 852743856 /nfs/dbraw/zinc/74/38/56/852743856.db2.gz VNLVUZCDWHCQCH-INIZCTEOSA-N -1 3 375.852 3.915 20 0 GHADHM COC(C)(C)CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000427162775 852800394 /nfs/dbraw/zinc/80/03/94/852800394.db2.gz CNSDTWVHOUWHGZ-UHFFFAOYSA-N -1 3 386.677 3.668 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(Cc2ccccc2)no1 ZINC000427260179 852912289 /nfs/dbraw/zinc/91/22/89/852912289.db2.gz KFKCDYVFIUFVKD-HNNXBMFYSA-N -1 3 397.500 3.579 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1OCC ZINC000473856492 852914291 /nfs/dbraw/zinc/91/42/91/852914291.db2.gz LIFVUPDGRJGFMK-HNNXBMFYSA-N -1 3 393.871 3.776 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2-n2cccn2)sc1Cl ZINC000473856317 852930150 /nfs/dbraw/zinc/93/01/50/852930150.db2.gz UYILBTHMFXPFBR-LBPRGKRZSA-N -1 3 381.910 3.935 20 0 GHADHM COc1ccccc1SCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000490365768 852964559 /nfs/dbraw/zinc/96/45/59/852964559.db2.gz LZMBQBZMUHOYKG-UHFFFAOYSA-N -1 3 375.400 3.516 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752638 862415105 /nfs/dbraw/zinc/41/51/05/862415105.db2.gz LJOIBYAGNLODDE-VHSXEESVSA-N -1 3 385.247 3.753 20 0 GHADHM CCc1ccc(CC)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000438856051 852998826 /nfs/dbraw/zinc/99/88/26/852998826.db2.gz KOHCAMPVRGXZPT-UHFFFAOYSA-N -1 3 395.503 3.943 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc([C@H](C)N3CCOCC3)c2)cc(C)c1F ZINC000437308261 853002931 /nfs/dbraw/zinc/00/29/31/853002931.db2.gz LPDCXSLFUVRUJO-INIZCTEOSA-N -1 3 392.496 3.637 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000507522933 853005451 /nfs/dbraw/zinc/00/54/51/853005451.db2.gz AGDMQSCERJMCFQ-UHFFFAOYSA-N -1 3 393.291 3.695 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000507522933 853005459 /nfs/dbraw/zinc/00/54/59/853005459.db2.gz AGDMQSCERJMCFQ-UHFFFAOYSA-N -1 3 393.291 3.695 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000473860035 853014600 /nfs/dbraw/zinc/01/46/00/853014600.db2.gz WLVLKUTYWANKJC-GOSISDBHSA-N -1 3 392.390 3.883 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC000894848094 853069933 /nfs/dbraw/zinc/06/99/33/853069933.db2.gz HYILADLJCMWECT-OAHLLOKOSA-N -1 3 382.410 3.962 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)n1 ZINC000518225946 853097805 /nfs/dbraw/zinc/09/78/05/853097805.db2.gz IHTYCQLHLICWHO-UHFFFAOYSA-N -1 3 397.378 3.880 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000913297964 853208634 /nfs/dbraw/zinc/20/86/34/853208634.db2.gz BVGLOSYZYCMSID-JTQLQIEISA-N -1 3 393.321 3.873 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000913297964 853208644 /nfs/dbraw/zinc/20/86/44/853208644.db2.gz BVGLOSYZYCMSID-JTQLQIEISA-N -1 3 393.321 3.873 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302273 853225211 /nfs/dbraw/zinc/22/52/11/853225211.db2.gz TYLNQQHAOCNNTD-HNNXBMFYSA-N -1 3 381.432 3.652 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302273 853225215 /nfs/dbraw/zinc/22/52/15/853225215.db2.gz TYLNQQHAOCNNTD-HNNXBMFYSA-N -1 3 381.432 3.652 20 0 GHADHM CCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000439049961 853236086 /nfs/dbraw/zinc/23/60/86/853236086.db2.gz ASHKVILWOGMMKW-HXUWFJFHSA-N -1 3 394.515 3.871 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCCCC4)cc3)cc2[nH]1 ZINC000604737718 862455381 /nfs/dbraw/zinc/45/53/81/862455381.db2.gz JGJNNTXZOXMAKY-UHFFFAOYSA-N -1 3 387.461 3.781 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCCC1 ZINC000519673234 853381294 /nfs/dbraw/zinc/38/12/94/853381294.db2.gz LJHSEZMGUITJPX-NSHDSACASA-N -1 3 377.282 3.989 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1cc(Cl)ccc1Cl ZINC000439189714 853392778 /nfs/dbraw/zinc/39/27/78/853392778.db2.gz INHGQUQMDSVDIN-UHFFFAOYSA-N -1 3 388.301 3.924 20 0 GHADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[N-]c1nnn(C(C)C)n1 ZINC000913485959 853393756 /nfs/dbraw/zinc/39/37/56/853393756.db2.gz NCKRDLBLOVNCSM-UHFFFAOYSA-N -1 3 381.223 3.777 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)s1 ZINC000519714520 853421076 /nfs/dbraw/zinc/42/10/76/853421076.db2.gz ZWIKBYHFYATGSV-UHFFFAOYSA-N -1 3 392.435 3.690 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000025694860 853537460 /nfs/dbraw/zinc/53/74/60/853537460.db2.gz DQVVPKCQHXOWCO-UHFFFAOYSA-N -1 3 388.489 3.733 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000579075807 853546410 /nfs/dbraw/zinc/54/64/10/853546410.db2.gz LZEJMRCGBOYESJ-MRXNPFEDSA-N -1 3 388.489 3.586 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1OC ZINC000054984336 853624342 /nfs/dbraw/zinc/62/43/42/853624342.db2.gz RSRUTILVJRYQNQ-ZDUSSCGKSA-N -1 3 393.534 3.504 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cc2)cc(=O)[n-]1 ZINC000519945765 853636163 /nfs/dbraw/zinc/63/61/63/853636163.db2.gz JZTMZZNHGVVJRS-GOSISDBHSA-N -1 3 397.504 3.644 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1cccc(Cl)c1 ZINC000519998214 853738909 /nfs/dbraw/zinc/73/89/09/853738909.db2.gz MZJZCMNHBWJMJF-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)s1 ZINC000520031304 853766409 /nfs/dbraw/zinc/76/64/09/853766409.db2.gz GFKRDHZHGCDGJB-KRWDZBQOSA-N -1 3 379.503 3.745 20 0 GHADHM O=c1nc(CN2CCC[C@H]([C@H]3CCOC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000441275693 854061519 /nfs/dbraw/zinc/06/15/19/854061519.db2.gz IGIKOUJGSBJBGD-KBPBESRZSA-N -1 3 385.489 3.905 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000588007533 854068201 /nfs/dbraw/zinc/06/82/01/854068201.db2.gz XTWMPYRQFGAKHI-SECBINFHSA-N -1 3 398.688 3.668 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3CCC3)c2)cc1 ZINC000520374216 854130110 /nfs/dbraw/zinc/13/01/10/854130110.db2.gz 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ZINC000588857124 854553473 /nfs/dbraw/zinc/55/34/73/854553473.db2.gz HIOYWJVCAMPJNN-UHFFFAOYSA-N -1 3 398.440 3.770 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cnoc3)ccc2C)c(C)c1 ZINC000624010899 862579735 /nfs/dbraw/zinc/57/97/35/862579735.db2.gz BBOVUJOGZFSVLP-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1OC ZINC000068635434 854603580 /nfs/dbraw/zinc/60/35/80/854603580.db2.gz QYRLSFXEURVSEF-KRWDZBQOSA-N -1 3 395.525 3.643 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3sccc3Br)nc2)n1 ZINC000068694527 854611245 /nfs/dbraw/zinc/61/12/45/854611245.db2.gz NJLDPEGXECAWKV-UHFFFAOYSA-N -1 3 391.294 3.830 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1C1CC1)c1cccc(OC(F)(F)F)c1F ZINC001212158006 854871508 /nfs/dbraw/zinc/87/15/08/854871508.db2.gz HJAVSIDCYZYFCQ-RYUDHWBXSA-N -1 3 381.391 3.829 20 0 GHADHM CC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000589479838 854900755 /nfs/dbraw/zinc/90/07/55/854900755.db2.gz FRWNRHWENRZRJG-OAHLLOKOSA-N 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CC1CCC(N2C[C@@H](C(=O)Nc3ccc(Br)cc3[O-])CC2=O)CC1 ZINC000596083497 858777074 /nfs/dbraw/zinc/77/70/74/858777074.db2.gz JELGIXXARHBOGH-LXVYMNJGSA-N -1 3 395.297 3.520 20 0 GHADHM Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(Cl)c1 ZINC000443505900 858854406 /nfs/dbraw/zinc/85/44/06/858854406.db2.gz CKLZQCVHDDEYOM-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)n3)cs2)c1 ZINC000184065399 858869703 /nfs/dbraw/zinc/86/97/03/858869703.db2.gz NFZLRPUPDXDAHM-UHFFFAOYSA-N -1 3 396.472 3.602 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CCC2)C1 ZINC000184184929 858889189 /nfs/dbraw/zinc/88/91/89/858889189.db2.gz VHJXBQAMEGKQEU-FQEVSTJZSA-N -1 3 378.472 3.656 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1cccc(Oc2ccccc2)c1 ZINC000482843763 858912540 /nfs/dbraw/zinc/91/25/40/858912540.db2.gz XUYSVHLZOMCGAP-UHFFFAOYSA-N -1 3 391.353 3.615 20 0 GHADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Cl)cc1Br ZINC000522283130 858965115 /nfs/dbraw/zinc/96/51/15/858965115.db2.gz COIPCVXPFZXAFW-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000483048695 859103776 /nfs/dbraw/zinc/10/37/76/859103776.db2.gz MYTQLGXJRUNWRW-VIFPVBQESA-N -1 3 394.184 3.617 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C3CC3)c2)n1 ZINC000596823001 859107654 /nfs/dbraw/zinc/10/76/54/859107654.db2.gz MNVYUYBBRKZUMV-GOSISDBHSA-N -1 3 397.475 3.718 20 0 GHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C(C)C ZINC000116710109 859110589 /nfs/dbraw/zinc/11/05/89/859110589.db2.gz FWGCGHQETDTWLK-UHFFFAOYSA-N -1 3 386.517 3.733 20 0 GHADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c12 ZINC000058330740 881383679 /nfs/dbraw/zinc/38/36/79/881383679.db2.gz SSADXBXFIAKTGV-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000058330740 881383696 /nfs/dbraw/zinc/38/36/96/881383696.db2.gz SSADXBXFIAKTGV-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM CCc1cc2c(CSc3nc4ccccc4c(=O)n3C)cc(=O)oc2cc1[O-] ZINC000060384163 859177004 /nfs/dbraw/zinc/17/70/04/859177004.db2.gz IWOZQIOTEYVXAT-UHFFFAOYSA-N -1 3 394.452 3.600 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c(C)o1 ZINC000543652863 859226653 /nfs/dbraw/zinc/22/66/53/859226653.db2.gz XXPVMYDOCPLBFR-UHFFFAOYSA-N -1 3 379.768 3.766 20 0 GHADHM Cc1ncc(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000543315933 859243624 /nfs/dbraw/zinc/24/36/24/859243624.db2.gz MQWDQCFOYMAZBP-UHFFFAOYSA-N -1 3 383.835 3.653 20 0 GHADHM CSc1nsc([N-]C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n1 ZINC000194386355 859265678 /nfs/dbraw/zinc/26/56/78/859265678.db2.gz JNFYYSXXHMWCCT-UHFFFAOYSA-N -1 3 385.396 3.717 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCCN2c2ccccc2)[nH][n-]1 ZINC000429425585 859339274 /nfs/dbraw/zinc/33/92/74/859339274.db2.gz LKZPWVQFMNMWEY-SFHVURJKSA-N -1 3 396.878 3.768 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483544154 859440371 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COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)c2ccco2)cc1 ZINC001212184473 859680030 /nfs/dbraw/zinc/68/00/30/859680030.db2.gz JJXPCEUYHOUKSK-LJQANCHMSA-N -1 3 393.411 3.943 20 0 GHADHM O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Br)cc1[O-] ZINC000126020746 859692148 /nfs/dbraw/zinc/69/21/48/859692148.db2.gz VTUOETDGJUNPPV-UHFFFAOYSA-N -1 3 394.250 3.838 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2ccc(Cl)cc21)c1ccc(Br)s1 ZINC000474293032 859772469 /nfs/dbraw/zinc/77/24/69/859772469.db2.gz LGRULDYHKLYGGW-SECBINFHSA-N -1 3 394.699 3.576 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000484090118 859798522 /nfs/dbraw/zinc/79/85/22/859798522.db2.gz ZEFPVQFUVDHNKN-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1 ZINC000765175697 859818510 /nfs/dbraw/zinc/81/85/10/859818510.db2.gz CMCOZBWUAMWSCX-OAHLLOKOSA-N -1 3 394.707 3.833 20 0 GHADHM CCOC(=O)c1ncc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)s1 ZINC001126970235 859871771 /nfs/dbraw/zinc/87/17/71/859871771.db2.gz NPLVWWRYSJMUTK-UHFFFAOYSA-N -1 3 379.344 3.505 20 0 GHADHM CC(C)(C)OC(=O)c1c(F)ccc([N-]C(=O)c2noc3c2COCC3)c1Cl ZINC000602403956 859999876 /nfs/dbraw/zinc/99/98/76/859999876.db2.gz ZKWKLUNLOISNBE-UHFFFAOYSA-N -1 3 396.802 3.747 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)[n-]n1 ZINC001142901503 860001439 /nfs/dbraw/zinc/00/14/39/860001439.db2.gz XRSRYHLDHXNCTN-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)n[n-]1 ZINC001142901503 860001452 /nfs/dbraw/zinc/00/14/52/860001452.db2.gz XRSRYHLDHXNCTN-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Br)cc1Cl ZINC000474406795 860003769 /nfs/dbraw/zinc/00/37/69/860003769.db2.gz AMXKQRAFTOHBDC-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Br)cc1Cl ZINC000474406795 860003780 /nfs/dbraw/zinc/00/37/80/860003780.db2.gz AMXKQRAFTOHBDC-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CC1(Cl)Cl)c1cnc(Cl)c(Cl)c1 ZINC001212349681 860008299 /nfs/dbraw/zinc/00/82/99/860008299.db2.gz BWFHQNWZEYSHQQ-SSDOTTSWSA-N -1 3 378.108 3.641 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1c(Cl)ccc2cccnc21)C(=O)[O-] ZINC000904015603 860025714 /nfs/dbraw/zinc/02/57/14/860025714.db2.gz SMSXGEIPCFAILR-OAHLLOKOSA-N -1 3 378.856 3.553 20 0 GHADHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cn1 ZINC000727363012 860048866 /nfs/dbraw/zinc/04/88/66/860048866.db2.gz XPPHRXYHMLPPNZ-CMDGGOBGSA-N -1 3 396.310 3.949 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000727357262 860052574 /nfs/dbraw/zinc/05/25/74/860052574.db2.gz MLIFHMLCFLEPJB-GJZGRUSLSA-N -1 3 378.469 3.549 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)OC)c2)cc1C ZINC000727360436 860053659 /nfs/dbraw/zinc/05/36/59/860053659.db2.gz BGGQTUNUBBTWRD-UHFFFAOYSA-N -1 3 382.413 3.512 20 0 GHADHM COc1cccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c1[O-] ZINC000598209627 860131688 /nfs/dbraw/zinc/13/16/88/860131688.db2.gz LUBNXNLTRWURBV-OAHLLOKOSA-N -1 3 383.444 3.877 20 0 GHADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000526864629 860161544 /nfs/dbraw/zinc/16/15/44/860161544.db2.gz GMOMJFVXBBPXGM-UHFFFAOYSA-N -1 3 376.456 3.910 20 0 GHADHM O=C(NCc1cccnc1OCC(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000471715645 860178970 /nfs/dbraw/zinc/17/89/70/860178970.db2.gz UFSXQZHKYCHHAB-UHFFFAOYSA-N -1 3 376.334 3.812 20 0 GHADHM COc1ccccc1CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527448838 860179376 /nfs/dbraw/zinc/17/93/76/860179376.db2.gz ATYCDJDHLJAHPY-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM Cn1cc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)c2ccc(F)cc2)cn1 ZINC000527460285 860180300 /nfs/dbraw/zinc/18/03/00/860180300.db2.gz ITJRPERBZXOVNH-NRFANRHFSA-N -1 3 375.403 3.937 20 0 GHADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000280969180 860182292 /nfs/dbraw/zinc/18/22/92/860182292.db2.gz ROLACESHUNXNPN-UHFFFAOYSA-N -1 3 388.467 3.888 20 0 GHADHM Cn1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c(C(F)(F)F)n1 ZINC000727712570 860188886 /nfs/dbraw/zinc/18/88/86/860188886.db2.gz WQCREJARVXPNAB-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM C[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000904220641 860243553 /nfs/dbraw/zinc/24/35/53/860243553.db2.gz TYPLMYUILNXXTC-LRAJWGHMSA-N -1 3 384.476 3.623 20 0 GHADHM C[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000904220642 860243728 /nfs/dbraw/zinc/24/37/28/860243728.db2.gz TYPLMYUILNXXTC-VFCRVFHLSA-N -1 3 384.476 3.623 20 0 GHADHM C[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccccc1Cl ZINC000904221921 860245258 /nfs/dbraw/zinc/24/52/58/860245258.db2.gz SBWCTULDHIGFQZ-AWEZNQCLSA-N -1 3 392.883 3.791 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]1c1ccncc1 ZINC000602744934 860251181 /nfs/dbraw/zinc/25/11/81/860251181.db2.gz GCJAEWXRMUQEEG-KRWDZBQOSA-N -1 3 398.260 3.663 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]1C1CCC1 ZINC000602766173 860272805 /nfs/dbraw/zinc/27/28/05/860272805.db2.gz QLPMNCDGKQWRQG-INIZCTEOSA-N -1 3 375.266 3.695 20 0 GHADHM COCCN(CCC(=O)[O-])Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000904269706 860288485 /nfs/dbraw/zinc/28/84/85/860288485.db2.gz QCADOALCNWBNPJ-UHFFFAOYSA-N -1 3 390.867 3.515 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccccc1Br ZINC000474563466 860354327 /nfs/dbraw/zinc/35/43/27/860354327.db2.gz TWIHKTZNAAXENW-UHFFFAOYSA-N -1 3 392.297 3.523 20 0 GHADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436562506 860364330 /nfs/dbraw/zinc/36/43/30/860364330.db2.gz JRQIJSOPLCBKMP-UHFFFAOYSA-N -1 3 377.400 3.573 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(CCF)CC3)nc(=O)c2c1C ZINC000602948376 860379599 /nfs/dbraw/zinc/37/95/99/860379599.db2.gz RDEKJAAYHAAQQS-LBPRGKRZSA-N -1 3 395.500 3.602 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCC3)O4)ccc2O1 ZINC000729965096 860476741 /nfs/dbraw/zinc/47/67/41/860476741.db2.gz SQPOAVUNCPLQIF-CYBMUJFWSA-N -1 3 387.457 3.852 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000671634734 860529644 /nfs/dbraw/zinc/52/96/44/860529644.db2.gz KKFSHJFBPHXFQD-NRSPTQNISA-N -1 3 397.471 3.577 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643049 860549427 /nfs/dbraw/zinc/54/94/27/860549427.db2.gz VGJJENWNVWSAMM-SQNIBIBYSA-N -1 3 378.900 3.506 20 0 GHADHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000016151535 860597658 /nfs/dbraw/zinc/59/76/58/860597658.db2.gz LZWMASQGXGTZFG-UHFFFAOYSA-N -1 3 386.182 3.713 20 0 GHADHM CC[C@H](C(=O)N1CCC(NC(=O)c2c(C)cccc2[O-])CC1)c1ccccc1 ZINC000624985817 860621522 /nfs/dbraw/zinc/62/15/22/860621522.db2.gz FBEPMMHSUUTKCE-IBGZPJMESA-N -1 3 380.488 3.615 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293732 881577279 /nfs/dbraw/zinc/57/72/79/881577279.db2.gz WOFHYHFNXJSOTL-YPMHNXCESA-N -1 3 386.805 3.931 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)c(F)c1F ZINC000625046164 860774538 /nfs/dbraw/zinc/77/45/38/860774538.db2.gz KGUCSDWKXRXRJZ-LLVKDONJSA-N -1 3 385.436 3.743 20 0 GHADHM Cc1cccc2[nH]cc(CCNC(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)c21 ZINC000640293734 881578467 /nfs/dbraw/zinc/57/84/67/881578467.db2.gz WPKUKPBYUCSCOZ-UHFFFAOYSA-N -1 3 399.804 3.675 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C3)nc2)n1 ZINC000599146099 860822621 /nfs/dbraw/zinc/82/26/21/860822621.db2.gz DIGXVSOHWRDERU-RHSMWYFYSA-N -1 3 398.507 3.611 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnnn1-c1ccccc1Cl ZINC000623351043 860910923 /nfs/dbraw/zinc/91/09/23/860910923.db2.gz XVRZPVCVVVDMPR-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC000625114319 860935093 /nfs/dbraw/zinc/93/50/93/860935093.db2.gz SUZGTRLRETYOHP-KRWDZBQOSA-N -1 3 381.476 3.683 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C34CC(C3)C4)ccc2C)cc1 ZINC000623373223 860957425 /nfs/dbraw/zinc/95/74/25/860957425.db2.gz XDOFMPWRZJAEIR-UHFFFAOYSA-N -1 3 386.473 3.543 20 0 GHADHM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000329088996 861008658 /nfs/dbraw/zinc/00/86/58/861008658.db2.gz VVSNYDHCIGPATD-QMTHXVAHSA-N -1 3 379.309 3.805 20 0 GHADHM Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730366941 861076022 /nfs/dbraw/zinc/07/60/22/861076022.db2.gz YYHMVCMVYJHRST-NSHDSACASA-N -1 3 378.222 3.647 20 0 GHADHM O=C(OCc1cc(F)cc2c1OCOC2)c1cccc(Br)c1[O-] ZINC000730366417 861076765 /nfs/dbraw/zinc/07/67/65/861076765.db2.gz WOSFICPAQQRLBE-UHFFFAOYSA-N -1 3 383.169 3.517 20 0 GHADHM CC[C@]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)(C(=O)OC)c1ccccc1 ZINC000730421060 861103458 /nfs/dbraw/zinc/10/34/58/861103458.db2.gz RLGTZNWLXUUJKI-FNDLEWIFSA-N -1 3 393.892 3.709 20 0 GHADHM CC(=O)c1cccc(O[C@@H](C)C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000623489393 861113907 /nfs/dbraw/zinc/11/39/07/861113907.db2.gz POVMWEHKGBAART-ZDUSSCGKSA-N -1 3 383.835 3.761 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000557041757 881614688 /nfs/dbraw/zinc/61/46/88/881614688.db2.gz FWSMGWQLVZKNDL-KRWDZBQOSA-N -1 3 383.835 3.887 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c2)[n-]1 ZINC001128519914 861187292 /nfs/dbraw/zinc/18/72/92/861187292.db2.gz ZXRLEDCDFZUEEH-UONOGXRCSA-N -1 3 386.496 3.583 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c2)n[n-]1 ZINC001128519914 861187301 /nfs/dbraw/zinc/18/73/01/861187301.db2.gz ZXRLEDCDFZUEEH-UONOGXRCSA-N -1 3 386.496 3.583 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1 ZINC000007428408 863109175 /nfs/dbraw/zinc/10/91/75/863109175.db2.gz AFSHHTRNHWSOCM-UHFFFAOYSA-N -1 3 379.791 3.676 20 0 GHADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000121212803 863120458 /nfs/dbraw/zinc/12/04/58/863120458.db2.gz MIDALOJONCKFOB-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000624247536 863270823 /nfs/dbraw/zinc/27/08/23/863270823.db2.gz JSDMVQLYOJDHMV-UHFFFAOYSA-N -1 3 393.270 3.606 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000230406341 863407627 /nfs/dbraw/zinc/40/76/27/863407627.db2.gz JULBIMNDOPOHTA-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1OCC(F)(F)F ZINC000606343549 863524735 /nfs/dbraw/zinc/52/47/35/863524735.db2.gz JUYIHKYOWABBEI-UHFFFAOYSA-N -1 3 387.379 3.672 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000522881383 863646068 /nfs/dbraw/zinc/64/60/68/863646068.db2.gz VRYAAYJEOBOTMS-UHFFFAOYSA-N -1 3 389.452 3.909 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1nccnc1-c1nc2ccccc2s1 ZINC000606537358 863693957 /nfs/dbraw/zinc/69/39/57/863693957.db2.gz HANKFBFWHAPZTI-UHFFFAOYSA-N -1 3 380.404 3.528 20 0 GHADHM Cc1sc2nc(C)nc(SCC(=O)NCc3ccc([O-])c(F)c3)c2c1C ZINC000606536627 863695060 /nfs/dbraw/zinc/69/50/60/863695060.db2.gz HXGWTWUYGOQUER-UHFFFAOYSA-N -1 3 391.493 3.870 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cnc(Cl)c(Cl)c1 ZINC000172600790 863773988 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O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccnc(-n2cccn2)c1 ZINC000606931613 863954850 /nfs/dbraw/zinc/95/48/50/863954850.db2.gz WXRMTKAUXPVEAK-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000159023641 864012508 /nfs/dbraw/zinc/01/25/08/864012508.db2.gz LAGZJSSBMBHIFC-GFCCVEGCSA-N -1 3 393.281 3.681 20 0 GHADHM CC(C)Oc1ccc2ccccc2c1CNC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000184129922 864107375 /nfs/dbraw/zinc/10/73/75/864107375.db2.gz NVFBXMMPFNBZDE-UHFFFAOYSA-N -1 3 385.855 3.897 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000480129641 864113144 /nfs/dbraw/zinc/11/31/44/864113144.db2.gz CPSYXJWKYPYAJT-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554439789 864312211 /nfs/dbraw/zinc/31/22/11/864312211.db2.gz IIPLHHKKOMLRTP-CYBMUJFWSA-N -1 3 376.382 3.870 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000621654906 864352398 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GHADHM COC(=O)Nc1ccc(C(=O)OCc2ncc(-c3ccccc3F)o2)cc1[O-] ZINC000745651736 869721371 /nfs/dbraw/zinc/72/13/71/869721371.db2.gz ASSOBWKQFHFHRG-UHFFFAOYSA-N -1 3 386.335 3.722 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@@H](C)CC ZINC000462591783 869723421 /nfs/dbraw/zinc/72/34/21/869723421.db2.gz ORHQLJZLYHTOCA-ZANVPECISA-N -1 3 382.309 3.558 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)c1 ZINC000524973813 869857419 /nfs/dbraw/zinc/85/74/19/869857419.db2.gz XYAVHWCWWVGDAF-UHFFFAOYSA-N -1 3 375.490 3.966 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CCC[C@@H]1C ZINC000462672149 869901096 /nfs/dbraw/zinc/90/10/96/869901096.db2.gz CNALTUISVBYWFU-DJJJIMSYSA-N -1 3 391.464 3.604 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992435 869932266 /nfs/dbraw/zinc/93/22/66/869932266.db2.gz ZXEJYJKTJMBFSC-ZDUSSCGKSA-N -1 3 398.463 3.523 20 0 GHADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000462705345 869933112 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Cc1c2ccccc2oc1[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(C)C ZINC000525256941 870256694 /nfs/dbraw/zinc/25/66/94/870256694.db2.gz PUXFQSQVAJSFAK-FQEVSTJZSA-N -1 3 380.444 3.690 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001192314485 870280776 /nfs/dbraw/zinc/28/07/76/870280776.db2.gz RMPVAHBXGUMTLN-WMLDXEAASA-N -1 3 377.378 3.557 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)nc1Br ZINC001192317116 870283176 /nfs/dbraw/zinc/28/31/76/870283176.db2.gz NJGHTSGDEIKPLR-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)Nc2c3cccc2F)c([O-])c1 ZINC001192327492 870291762 /nfs/dbraw/zinc/29/17/62/870291762.db2.gz VUDGANSROMGIOT-UHFFFAOYSA-N -1 3 396.462 3.955 20 0 GHADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2F)C[C@@H](C)C1 ZINC001192337028 870297661 /nfs/dbraw/zinc/29/76/61/870297661.db2.gz LCRXOPBDRWCSMW-GDNZZTSVSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)oc21 ZINC000133742268 882396356 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]3(C)OCCc4ccccc43)c2)n1 ZINC000888263810 870456132 /nfs/dbraw/zinc/45/61/32/870456132.db2.gz GDYKSWWHJNYZCG-QHCPKHFHSA-N -1 3 389.455 3.838 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3cscc3-c3ccccc3)cc2n(C)c1=O ZINC000461615840 870593745 /nfs/dbraw/zinc/59/37/45/870593745.db2.gz GDEKUDCOYFOPJF-UHFFFAOYSA-N -1 3 379.441 3.563 20 0 GHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000746400887 870609797 /nfs/dbraw/zinc/60/97/97/870609797.db2.gz YCBKLEWJRMHKBL-UHFFFAOYSA-N -1 3 397.324 3.567 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3sccc3-c3ccccc3)cc2n(C)c1=O ZINC000461633362 870628796 /nfs/dbraw/zinc/62/87/96/870628796.db2.gz VAMAXAXSWZRINL-UHFFFAOYSA-N -1 3 379.441 3.563 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000617650150 870651752 /nfs/dbraw/zinc/65/17/52/870651752.db2.gz QONNRWVUXIRWQQ-INIZCTEOSA-N -1 3 377.378 3.860 20 0 GHADHM CC(C)c1ccc2occ(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)c2c1 ZINC000461625746 870651884 /nfs/dbraw/zinc/65/18/84/870651884.db2.gz IJSLDBJAQJMSKZ-UHFFFAOYSA-N -1 3 379.416 3.705 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCC2(C)C)cc1Cl ZINC001192858438 870737524 /nfs/dbraw/zinc/73/75/24/870737524.db2.gz WNAAEMXZGXKFCW-GFCCVEGCSA-N -1 3 390.908 3.932 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2OC)c([O-])c1 ZINC000538871736 870795501 /nfs/dbraw/zinc/79/55/01/870795501.db2.gz UPTMUCIAKPNGGR-UHFFFAOYSA-N -1 3 394.221 3.592 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000538928469 870907553 /nfs/dbraw/zinc/90/75/53/870907553.db2.gz VBAPNRBVXYDLDY-UHFFFAOYSA-N -1 3 379.359 3.742 20 0 GHADHM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000540319806 870972297 /nfs/dbraw/zinc/97/22/97/870972297.db2.gz UAPZPCUWJLTZNA-UHFFFAOYSA-N -1 3 395.912 3.656 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cnn(-c3ccccc3Cl)c1C(C)C)C2 ZINC001168940318 871026784 /nfs/dbraw/zinc/02/67/84/871026784.db2.gz YLXBEUWVBXKUPO-UHFFFAOYSA-N -1 3 397.866 3.609 20 0 GHADHM CO[C@H](CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000572533940 871156713 /nfs/dbraw/zinc/15/67/13/871156713.db2.gz FXKUGZMTINFHDD-ZWKOTPCHSA-N -1 3 390.277 3.648 20 0 GHADHM COc1ccc(Br)nc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735811 871252063 /nfs/dbraw/zinc/25/20/63/871252063.db2.gz SGVICMLGJBRMHU-UHFFFAOYSA-N -1 3 391.143 3.829 20 0 GHADHM Cc1oc(C(=O)[N-]c2ccccc2SC(C)C)cc1S(=O)(=O)N(C)C ZINC000122262121 882491598 /nfs/dbraw/zinc/49/15/98/882491598.db2.gz SYIKCHDRMHYBMT-UHFFFAOYSA-N -1 3 382.507 3.591 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c(C)c1C ZINC000447261701 871276918 /nfs/dbraw/zinc/27/69/18/871276918.db2.gz AIWQVDZXJCIOJE-UHFFFAOYSA-N -1 3 384.501 3.881 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(C(=O)c1ccc([O-])cc1C(F)(F)F)C2 ZINC001193749488 871290153 /nfs/dbraw/zinc/29/01/53/871290153.db2.gz NUSTUIQWXFXVHN-UHFFFAOYSA-N -1 3 399.390 3.848 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1Cl ZINC000447279936 871310669 /nfs/dbraw/zinc/31/06/69/871310669.db2.gz JTDBODAGPXLEJI-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(Br)cn1 ZINC001193820033 871326427 /nfs/dbraw/zinc/32/64/27/871326427.db2.gz TUCOKSOBQXARCE-UHFFFAOYSA-N -1 3 399.241 3.516 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001193936340 871379474 /nfs/dbraw/zinc/37/94/74/871379474.db2.gz MXUBHRHBUNUCKZ-AWEZNQCLSA-N -1 3 379.378 3.885 20 0 GHADHM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001193937117 871380956 /nfs/dbraw/zinc/38/09/56/871380956.db2.gz CUCXHXLINGCENF-UHFFFAOYSA-N -1 3 387.851 3.967 20 0 GHADHM COc1cc(F)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1F ZINC001193974379 871411182 /nfs/dbraw/zinc/41/11/82/871411182.db2.gz BVBPEROVOKJXRV-UHFFFAOYSA-N -1 3 379.359 3.887 20 0 GHADHM CCOc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1OC ZINC000163009203 871428812 /nfs/dbraw/zinc/42/88/12/871428812.db2.gz GZLASMUBCKTKSX-UHFFFAOYSA-N -1 3 395.253 3.884 20 0 GHADHM COC(=O)c1nc2ccc(N[C@H]3CCc4c3cccc4OC(F)(F)F)nc2[n-]1 ZINC001169363503 871429739 /nfs/dbraw/zinc/42/97/39/871429739.db2.gz MGFFLZKDFYHELJ-NSHDSACASA-N -1 3 392.337 3.743 20 0 GHADHM COC(=O)c1nc2nc(N[C@H]3CCc4c3cccc4OC(F)(F)F)ccc2[n-]1 ZINC001169363503 871429742 /nfs/dbraw/zinc/42/97/42/871429742.db2.gz MGFFLZKDFYHELJ-NSHDSACASA-N -1 3 392.337 3.743 20 0 GHADHM COC(=O)c1nc2ccc(N[C@H]3CCc4c3cccc4OC(F)(F)F)[n-]c-2n1 ZINC001169363503 871429757 /nfs/dbraw/zinc/42/97/57/871429757.db2.gz MGFFLZKDFYHELJ-NSHDSACASA-N -1 3 392.337 3.743 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1coc(C2CCC2)n1 ZINC000618238543 871436261 /nfs/dbraw/zinc/43/62/61/871436261.db2.gz GNSJXMRCLISSDG-UHFFFAOYSA-N -1 3 384.173 3.505 20 0 GHADHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(CNC(C)=O)cc1 ZINC001194050675 871466378 /nfs/dbraw/zinc/46/63/78/871466378.db2.gz LLPJSGMATRJCFM-UHFFFAOYSA-N -1 3 375.519 3.722 20 0 GHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000191554922 882512082 /nfs/dbraw/zinc/51/20/82/882512082.db2.gz SQPPNUZWKIFGNG-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(-c2cccs2)cc1 ZINC001194160419 871518353 /nfs/dbraw/zinc/51/83/53/871518353.db2.gz HRQFKJJOQVTHQG-UHFFFAOYSA-N -1 3 382.470 3.797 20 0 GHADHM COCc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1C(F)(F)F ZINC000618344845 871531687 /nfs/dbraw/zinc/53/16/87/871531687.db2.gz QJBHLKPBXISPGX-UHFFFAOYSA-N -1 3 387.383 3.630 20 0 GHADHM O=C([N-]Cc1ccnc(Br)c1)C(F)(F)c1ccc(Cl)cc1 ZINC001169487335 871585773 /nfs/dbraw/zinc/58/57/73/871585773.db2.gz OGGMJTNOMUSGEE-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001169572643 871647094 /nfs/dbraw/zinc/64/70/94/871647094.db2.gz IVSGKDXWYCYSJY-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001169572643 871647105 /nfs/dbraw/zinc/64/71/05/871647105.db2.gz IVSGKDXWYCYSJY-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525968574 871817396 /nfs/dbraw/zinc/81/73/96/871817396.db2.gz ROIYBJUEJYHNGM-HNNXBMFYSA-N -1 3 386.839 3.563 20 0 GHADHM O=C(N[C@@H](CC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000618694878 871863363 /nfs/dbraw/zinc/86/33/63/871863363.db2.gz BLBUAZDVGCRXJW-UWJYYQICSA-N -1 3 398.478 3.852 20 0 GHADHM CCc1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c([O-])c1 ZINC000526052745 872002928 /nfs/dbraw/zinc/00/29/28/872002928.db2.gz SLPUZYZDGLPJLE-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2C1 ZINC000775618141 872010103 /nfs/dbraw/zinc/01/01/03/872010103.db2.gz UNURLRLCMFYTAQ-QGZVFWFLSA-N -1 3 391.468 3.560 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2C1 ZINC000775618141 872010115 /nfs/dbraw/zinc/01/01/15/872010115.db2.gz UNURLRLCMFYTAQ-QGZVFWFLSA-N -1 3 391.468 3.560 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](C)CC3CCCCC3)c2)[n-]1 ZINC000447678067 872082301 /nfs/dbraw/zinc/08/23/01/872082301.db2.gz IUDJVUZCXYBONZ-HNNXBMFYSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](C)CC3CCCCC3)c2)n[n-]1 ZINC000447678067 872082317 /nfs/dbraw/zinc/08/23/17/872082317.db2.gz IUDJVUZCXYBONZ-HNNXBMFYSA-N -1 3 398.507 3.871 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cccc2nccnc21 ZINC001194980948 872082906 /nfs/dbraw/zinc/08/29/06/872082906.db2.gz KPAKGXCXHSJRHF-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](CC)CC3CCCC3)c2)[n-]1 ZINC000447680189 872090860 /nfs/dbraw/zinc/09/08/60/872090860.db2.gz NFXAXOOHVIHSDW-QGZVFWFLSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](CC)CC3CCCC3)c2)n[n-]1 ZINC000447680189 872090883 /nfs/dbraw/zinc/09/08/83/872090883.db2.gz NFXAXOOHVIHSDW-QGZVFWFLSA-N -1 3 398.507 3.871 20 0 GHADHM Cc1[nH]c2c(cccc2NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1C ZINC001194990773 872091979 /nfs/dbraw/zinc/09/19/79/872091979.db2.gz CHHKHUHFKIPUSW-UHFFFAOYSA-N -1 3 375.425 3.548 20 0 GHADHM Cc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c2ccccc12 ZINC001194995606 872095358 /nfs/dbraw/zinc/09/53/58/872095358.db2.gz BYSLMBAYXJUOGH-UHFFFAOYSA-N -1 3 386.448 3.589 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000618871814 872101063 /nfs/dbraw/zinc/10/10/63/872101063.db2.gz PGLMPJSRNBLMER-ZDUSSCGKSA-N -1 3 383.673 3.862 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](C)CCC(C)(C)C)c2)[n-]1 ZINC000447687126 872115777 /nfs/dbraw/zinc/11/57/77/872115777.db2.gz SORLQTMIIQNYEL-CQSZACIVSA-N -1 3 386.496 3.727 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](C)CCC(C)(C)C)c2)n[n-]1 ZINC000447687126 872115787 /nfs/dbraw/zinc/11/57/87/872115787.db2.gz SORLQTMIIQNYEL-CQSZACIVSA-N -1 3 386.496 3.727 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ncnc(Cl)c2Cl)c([O-])c1 ZINC001195031635 872117038 /nfs/dbraw/zinc/11/70/38/872117038.db2.gz NOXMDHFJCJLLMU-UHFFFAOYSA-N -1 3 384.219 3.697 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)[n-]1 ZINC000618920356 872158986 /nfs/dbraw/zinc/15/89/86/872158986.db2.gz URGGMWPDJDSROC-UHFFFAOYSA-N -1 3 385.445 3.884 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)c[n-]1 ZINC000618920356 872158994 /nfs/dbraw/zinc/15/89/94/872158994.db2.gz URGGMWPDJDSROC-UHFFFAOYSA-N -1 3 385.445 3.884 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195134539 872192580 /nfs/dbraw/zinc/19/25/80/872192580.db2.gz QXNJZFUJXYZIRC-CVEARBPZSA-N -1 3 388.851 3.740 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000122517581 882593313 /nfs/dbraw/zinc/59/33/13/882593313.db2.gz HQMGEEXFXWURME-UHFFFAOYSA-N -1 3 383.407 3.720 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)c2ccc(Br)cn2)cc1 ZINC000794164697 882598011 /nfs/dbraw/zinc/59/80/11/882598011.db2.gz DBMOQOCYHHUDJL-SNVBAGLBSA-N -1 3 385.208 3.822 20 0 GHADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1c(F)cccc1Cl ZINC000463679640 872320389 /nfs/dbraw/zinc/32/03/89/872320389.db2.gz URPGAFKGCXUJJU-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM CC(=O)c1cccc(NC(=O)CSc2nccn2-c2ccccc2C)c1[O-] ZINC000552287281 872352302 /nfs/dbraw/zinc/35/23/02/872352302.db2.gz NNAMRZOCMBRQHQ-UHFFFAOYSA-N -1 3 381.457 3.820 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000552274425 872371027 /nfs/dbraw/zinc/37/10/27/872371027.db2.gz UBESJQLTZXMJQA-BDAKNGLRSA-N -1 3 375.053 3.643 20 0 GHADHM CC(=O)c1ccc(Br)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195415283 872373567 /nfs/dbraw/zinc/37/35/67/872373567.db2.gz BKWBPLPCTBTKPC-UHFFFAOYSA-N -1 3 377.263 3.779 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Br ZINC000182476010 872425471 /nfs/dbraw/zinc/42/54/71/872425471.db2.gz ARQRNHWWDWFWPV-UHFFFAOYSA-N -1 3 386.267 3.663 20 0 GHADHM CSCCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000794191200 882617218 /nfs/dbraw/zinc/61/72/18/882617218.db2.gz QSGUVPWVLWHGNV-UHFFFAOYSA-N -1 3 388.320 3.749 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195655904 872561935 /nfs/dbraw/zinc/56/19/35/872561935.db2.gz OTKALWAXXZZDCW-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)c1 ZINC000619375437 872601849 /nfs/dbraw/zinc/60/18/49/872601849.db2.gz XFDIMRSSTXQIFC-ZDUSSCGKSA-N -1 3 388.851 3.648 20 0 GHADHM O=S(=O)(Nc1c(F)cc(Br)cc1Cl)c1ccc([O-])cc1 ZINC001195755256 872610789 /nfs/dbraw/zinc/61/07/89/872610789.db2.gz IPMYXCYLQPDVKH-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM Cc1nc2cc(C(=O)Nc3cc(I)ccc3[O-])ccc2o1 ZINC000619383751 872612602 /nfs/dbraw/zinc/61/26/02/872612602.db2.gz DUUAORWKYGJXPL-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(I)ccc2[O-])C1 ZINC000619441265 872630939 /nfs/dbraw/zinc/63/09/39/872630939.db2.gz JVNQTPPHXROCHI-CMPLNLGQSA-N -1 3 389.233 3.531 20 0 GHADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H]1CCC(C)(C)C1 ZINC000478172981 872657150 /nfs/dbraw/zinc/65/71/50/872657150.db2.gz AIWCLCAVKCZTBV-ZDUSSCGKSA-N -1 3 393.484 3.605 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCCCC1 ZINC001195787761 872662501 /nfs/dbraw/zinc/66/25/01/872662501.db2.gz RNIUPLPGFRRRTH-UHFFFAOYSA-N -1 3 399.406 3.742 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)[n-]1 ZINC000619449542 872666888 /nfs/dbraw/zinc/66/68/88/872666888.db2.gz MGGAWDLRLHBVOL-AWEZNQCLSA-N -1 3 379.416 3.979 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)c[n-]1 ZINC000619449542 872666894 /nfs/dbraw/zinc/66/68/94/872666894.db2.gz MGGAWDLRLHBVOL-AWEZNQCLSA-N -1 3 379.416 3.979 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447998136 872667596 /nfs/dbraw/zinc/66/75/96/872667596.db2.gz GIFOXGYTXUSELU-BBRMVZONSA-N -1 3 399.545 3.646 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 ZINC000122623006 882639304 /nfs/dbraw/zinc/63/93/04/882639304.db2.gz HBGZCJSODZJKKW-ZDUSSCGKSA-N -1 3 380.448 3.772 20 0 GHADHM O=S(=O)(NCC1(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])cc1 ZINC001195830093 872698657 /nfs/dbraw/zinc/69/86/57/872698657.db2.gz YQZPCKNZQUXOSJ-UHFFFAOYSA-N -1 3 385.407 3.712 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667311242 872766104 /nfs/dbraw/zinc/76/61/04/872766104.db2.gz FTVRJSYCGJXDEF-AWEZNQCLSA-N -1 3 392.459 3.844 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@H](C)C1CC1 ZINC000619653710 872850831 /nfs/dbraw/zinc/85/08/31/872850831.db2.gz YEMFJTSCMGJGPB-AWEZNQCLSA-N -1 3 390.480 3.711 20 0 GHADHM O=C(CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)[N-]OCc1ccccc1 ZINC000767884079 872914462 /nfs/dbraw/zinc/91/44/62/872914462.db2.gz LYFZIXTXXUNAAO-QGZVFWFLSA-N -1 3 378.394 3.743 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(C(F)(F)F)ccc21)c1ccc(Cl)cn1 ZINC001196265655 872977591 /nfs/dbraw/zinc/97/75/91/872977591.db2.gz AIXQFTCLQIGVON-LBPRGKRZSA-N -1 3 392.786 3.556 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]c(=O)c3ccccc23)[nH][n-]1 ZINC000527313225 872989904 /nfs/dbraw/zinc/98/99/04/872989904.db2.gz ALNLZZLVGHYVKN-UHFFFAOYSA-N -1 3 394.818 3.667 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1cccc(Br)n1 ZINC001196323609 873032329 /nfs/dbraw/zinc/03/23/29/873032329.db2.gz JJRHNZZRCUKXLZ-UHFFFAOYSA-N -1 3 381.295 3.592 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2Br)C(=O)CC3)c(F)c1 ZINC001196385098 873064918 /nfs/dbraw/zinc/06/49/18/873064918.db2.gz XLYXDBNJZGOKJD-UHFFFAOYSA-N -1 3 398.253 3.826 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000541217035 873167752 /nfs/dbraw/zinc/16/77/52/873167752.db2.gz PKKNJHRWLGENDZ-UHFFFAOYSA-N -1 3 395.463 3.580 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000541217035 873167758 /nfs/dbraw/zinc/16/77/58/873167758.db2.gz PKKNJHRWLGENDZ-UHFFFAOYSA-N -1 3 395.463 3.580 20 0 GHADHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000768287759 873211153 /nfs/dbraw/zinc/21/11/53/873211153.db2.gz RNDYCGQLJUZJLR-QXMHVHEDSA-N -1 3 393.270 3.649 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000768293727 873215361 /nfs/dbraw/zinc/21/53/61/873215361.db2.gz RTPLRFWDQBFEGM-UHFFFAOYSA-N -1 3 398.640 3.509 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196595881 873216238 /nfs/dbraw/zinc/21/62/38/873216238.db2.gz IAFAUDBYJUFWTI-UHFFFAOYSA-N -1 3 387.342 3.503 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC1=CC[C@@H](C(F)(F)F)CC1)OCC ZINC001196768795 873345635 /nfs/dbraw/zinc/34/56/35/873345635.db2.gz VSBMUQZZUKBZOT-LLVKDONJSA-N -1 3 375.391 3.782 20 0 GHADHM CCc1cc2c(CN3CCc4nc(C(C)C)ncc4C3)cc(=O)oc2cc1[O-] ZINC000527619339 873359679 /nfs/dbraw/zinc/35/96/79/873359679.db2.gz LUSRLRTWRHESOW-UHFFFAOYSA-N -1 3 379.460 3.533 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Br)c1cccc(F)c1 ZINC000768567621 873394333 /nfs/dbraw/zinc/39/43/33/873394333.db2.gz FYCBEVZCKMWGDS-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CN1CCO[C@H]([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)C1 ZINC000494629229 882717732 /nfs/dbraw/zinc/71/77/32/882717732.db2.gz BZZILKWBXGUJEK-ROUUACIJSA-N -1 3 395.286 3.501 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196826314 873419642 /nfs/dbraw/zinc/41/96/42/873419642.db2.gz SBYWZNHDBNGKAK-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196826314 873419650 /nfs/dbraw/zinc/41/96/50/873419650.db2.gz SBYWZNHDBNGKAK-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cnn(Cc2ccccc2)c1 ZINC000464200310 873425493 /nfs/dbraw/zinc/42/54/93/873425493.db2.gz UQPWATHFLYUICK-CYBMUJFWSA-N -1 3 393.871 3.763 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2)c([O-])c1 ZINC001197070465 873577399 /nfs/dbraw/zinc/57/73/99/873577399.db2.gz CEQPMBGZLOCALM-UHFFFAOYSA-N -1 3 397.406 3.925 20 0 GHADHM COc1ccc([C@@H](CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)NC(C)=O)cc1 ZINC000134131888 882751200 /nfs/dbraw/zinc/75/12/00/882751200.db2.gz ZJFRUOSHOIGRHD-MRXNPFEDSA-N -1 3 396.365 3.626 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000541533595 873820981 /nfs/dbraw/zinc/82/09/81/873820981.db2.gz YNQLGHMSAPEAGB-UHFFFAOYSA-N -1 3 376.844 3.921 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)cc1Cl ZINC001197748888 874025105 /nfs/dbraw/zinc/02/51/05/874025105.db2.gz DSQILPJYSNWDDO-UHFFFAOYSA-N -1 3 393.679 3.688 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000448856447 874054411 /nfs/dbraw/zinc/05/44/11/874054411.db2.gz AQKYESJMKCTBHP-OAHLLOKOSA-N -1 3 399.397 3.669 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1cc(F)c(Br)cc1Cl ZINC001197830249 874062720 /nfs/dbraw/zinc/06/27/20/874062720.db2.gz XUCCJYMDAAQHIZ-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000134233583 882798435 /nfs/dbraw/zinc/79/84/35/882798435.db2.gz FROOFHJEZHDHBC-QGZVFWFLSA-N -1 3 377.444 3.589 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CSc3ccccc32)c1 ZINC000541729024 874178062 /nfs/dbraw/zinc/17/80/62/874178062.db2.gz BIDXBNBWIMULNX-INIZCTEOSA-N -1 3 395.440 3.518 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccccn1)C1CCC1 ZINC000528173837 874195726 /nfs/dbraw/zinc/19/57/26/874195726.db2.gz IHNKLEVCXXIJML-QGZVFWFLSA-N -1 3 390.281 3.890 20 0 GHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000302438798 874199044 /nfs/dbraw/zinc/19/90/44/874199044.db2.gz MQYNAJGNTQTJLD-VIFPVBQESA-N -1 3 386.764 3.913 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1cccc(Cl)n1 ZINC001198260144 874290689 /nfs/dbraw/zinc/29/06/89/874290689.db2.gz RVSNNLUEUJJZJB-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1F ZINC000769889849 874354182 /nfs/dbraw/zinc/35/41/82/874354182.db2.gz RRGAUICOEROWMY-UHFFFAOYSA-N -1 3 388.420 3.747 20 0 GHADHM Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC001198370988 874378139 /nfs/dbraw/zinc/37/81/39/874378139.db2.gz IVVQJUALMYCZNJ-NSHDSACASA-N -1 3 393.373 3.509 20 0 GHADHM O=C(NCCCc1nc2c(s1)CCCC2)c1cc([O-])cc(Br)c1 ZINC000528370646 874496936 /nfs/dbraw/zinc/49/69/36/874496936.db2.gz DERASUQPRLQXJD-UHFFFAOYSA-N -1 3 395.322 3.853 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC1CC1)c1ccccc1F ZINC001198729427 874585096 /nfs/dbraw/zinc/58/50/96/874585096.db2.gz YTEKWDWKONQULF-AWEZNQCLSA-N -1 3 384.860 3.702 20 0 GHADHM Cc1ncoc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000476692997 882851108 /nfs/dbraw/zinc/85/11/08/882851108.db2.gz ROHMZRSAPOOGRT-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)cc1OC ZINC001198792627 874637936 /nfs/dbraw/zinc/63/79/36/874637936.db2.gz HOQKIMSNMDSAAO-ILXRZTDVSA-N -1 3 397.541 3.793 20 0 GHADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000797449728 874752904 /nfs/dbraw/zinc/75/29/04/874752904.db2.gz OWCJEQDDGGQOEV-NXEZZACHSA-N -1 3 384.748 3.665 20 0 GHADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000797449729 874753185 /nfs/dbraw/zinc/75/31/85/874753185.db2.gz OWCJEQDDGGQOEV-UWVGGRQHSA-N -1 3 384.748 3.665 20 0 GHADHM Cc1ccc([C@H](C)OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000770696518 874840727 /nfs/dbraw/zinc/84/07/27/874840727.db2.gz BOVYEWPNDOZWPM-INIZCTEOSA-N -1 3 391.489 3.828 20 0 GHADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528687885 874922666 /nfs/dbraw/zinc/92/26/66/874922666.db2.gz RKLFJFPNWWPHCS-GFCCVEGCSA-N -1 3 378.266 3.867 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1F ZINC000542092340 874933189 /nfs/dbraw/zinc/93/31/89/874933189.db2.gz GJYLWRAZPDTHFF-MRXNPFEDSA-N -1 3 395.452 3.501 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(C)c1F ZINC000542119853 875001380 /nfs/dbraw/zinc/00/13/80/875001380.db2.gz MCFFNKAIZHLDPR-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM C[C@@H]1[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[C@H]1C1CC1 ZINC000528825093 875130774 /nfs/dbraw/zinc/13/07/74/875130774.db2.gz MCCJLHINRFXVTH-PDSMFRHLSA-N -1 3 376.884 3.515 20 0 GHADHM CCOc1cccc(CCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000528867208 875174956 /nfs/dbraw/zinc/17/49/56/875174956.db2.gz VJDOMEAXFKDNPL-UHFFFAOYSA-N -1 3 378.266 3.802 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000542492788 882916153 /nfs/dbraw/zinc/91/61/53/882916153.db2.gz TXOIRIHYCTWXDF-UHFFFAOYSA-N -1 3 389.458 3.706 20 0 GHADHM CC(C)(O)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528969312 875335609 /nfs/dbraw/zinc/33/56/09/875335609.db2.gz RIIYGIXEPZZKLB-UHFFFAOYSA-N -1 3 378.266 3.568 20 0 GHADHM Cc1nc([C@H]2CCCCCN2C(=O)c2cc([O-])cc(Br)c2)no1 ZINC000528991128 875408841 /nfs/dbraw/zinc/40/88/41/875408841.db2.gz XFKXKHSYQNGIFF-CQSZACIVSA-N -1 3 380.242 3.604 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000771722925 875447808 /nfs/dbraw/zinc/44/78/08/875447808.db2.gz UVSTYLWJLYNKTK-UHFFFAOYSA-N -1 3 378.384 3.507 20 0 GHADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000123027813 882953730 /nfs/dbraw/zinc/95/37/30/882953730.db2.gz KIYHTYCZPYXOAF-NHCUHLMSSA-N -1 3 376.456 3.957 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1nc(Cl)ccc1Cl ZINC000151619004 875682778 /nfs/dbraw/zinc/68/27/78/875682778.db2.gz FYIKEEKDMKYYNF-UHFFFAOYSA-N -1 3 376.037 3.787 20 0 GHADHM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC001201543790 875738505 /nfs/dbraw/zinc/73/85/05/875738505.db2.gz ALUWMUGPEBRSGU-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)ccc2n1 ZINC001201598895 875750478 /nfs/dbraw/zinc/75/04/78/875750478.db2.gz SQVYELGTOLDVOA-UHFFFAOYSA-N -1 3 380.429 3.631 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000151668734 875775556 /nfs/dbraw/zinc/77/55/56/875775556.db2.gz AKGHBDFEEYWFKL-UHFFFAOYSA-N -1 3 394.946 3.516 20 0 GHADHM O=S(=O)(Nc1cc([O-])c(F)cc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201617320 875792947 /nfs/dbraw/zinc/79/29/47/875792947.db2.gz OPAFOJICNYNBAA-UHFFFAOYSA-N -1 3 378.356 3.659 20 0 GHADHM O=S(=O)([N-]c1ccc(C2OCCO2)cc1)c1ccc(Oc2ccncc2)cc1 ZINC001201620733 875795712 /nfs/dbraw/zinc/79/57/12/875795712.db2.gz ZGJFLLCTSXJATI-UHFFFAOYSA-N -1 3 398.440 3.720 20 0 GHADHM O=c1[nH]oc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)cc12 ZINC001201622752 875796941 /nfs/dbraw/zinc/79/69/41/875796941.db2.gz GSKKSIHEWSOXMY-UHFFFAOYSA-N -1 3 383.385 3.522 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)s1 ZINC000491580494 875804948 /nfs/dbraw/zinc/80/49/48/875804948.db2.gz BYZSABKSXDRHDL-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]c2cc3cccccc-3c2)C1 ZINC001201654080 875816030 /nfs/dbraw/zinc/81/60/30/875816030.db2.gz DIELMBRLGAPJAL-KRWDZBQOSA-N -1 3 376.478 3.543 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000450032716 875851822 /nfs/dbraw/zinc/85/18/22/875851822.db2.gz NEMBSCSTTPAJDN-QGZVFWFLSA-N -1 3 383.341 3.693 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cccc(F)c1Br ZINC001201792415 875859272 /nfs/dbraw/zinc/85/92/72/875859272.db2.gz NNOAMCYQWQJNST-ZDUSSCGKSA-N -1 3 388.233 3.693 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc([O-])cc(Br)c1 ZINC000529244720 875874686 /nfs/dbraw/zinc/87/46/86/875874686.db2.gz UTYCAVWQLNBSBM-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cccc(F)c1Br ZINC001201787048 875882423 /nfs/dbraw/zinc/88/24/23/875882423.db2.gz IJHFKGGAJINKJB-CYBMUJFWSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2cn1)c1cccc(F)c1Br ZINC001201791628 875886846 /nfs/dbraw/zinc/88/68/46/875886846.db2.gz RTMMTFXBHIHAJJ-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM COc1cccc(NC(=O)Nc2ccc([O-])c(I)c2)c1 ZINC001202276334 876098243 /nfs/dbraw/zinc/09/82/43/876098243.db2.gz RHNOGHDONNUFEE-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](O)c3ccc(Cl)cc3)c2)n1 ZINC000179701781 882994828 /nfs/dbraw/zinc/99/48/28/882994828.db2.gz WVPHVHHSLOUIAZ-GOSISDBHSA-N -1 3 397.862 3.715 20 0 GHADHM CCc1nnc([N-]C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s1 ZINC000192738086 883003328 /nfs/dbraw/zinc/00/33/28/883003328.db2.gz MUHCRKCHSXRPCC-UHFFFAOYSA-N -1 3 385.346 3.696 20 0 GHADHM O=C(Nc1ncc(C2CCOCC2)s1)c1cc([O-])cc(Br)c1 ZINC000529449375 876146369 /nfs/dbraw/zinc/14/63/69/876146369.db2.gz WHUHJNLNTGUGMM-UHFFFAOYSA-N -1 3 383.267 3.758 20 0 GHADHM CC(=O)c1[n-]c(=NCc2ccc(N3CCc4ccccc4C3)nc2)sc1C ZINC000450259957 876178082 /nfs/dbraw/zinc/17/80/82/876178082.db2.gz IGSCSVGQRWFPIZ-UHFFFAOYSA-N -1 3 378.501 3.646 20 0 GHADHM CN(C)c1cccc2sc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)cc21 ZINC001129611993 883007419 /nfs/dbraw/zinc/00/74/19/883007419.db2.gz AGTSUEPLCVMXDT-UHFFFAOYSA-N -1 3 382.424 3.539 20 0 GHADHM CN(C)c1cccc2sc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cc21 ZINC001129611993 883007440 /nfs/dbraw/zinc/00/74/40/883007440.db2.gz AGTSUEPLCVMXDT-UHFFFAOYSA-N -1 3 382.424 3.539 20 0 GHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccccc1Br ZINC000786029640 876385214 /nfs/dbraw/zinc/38/52/14/876385214.db2.gz IBGKOULRIRPYNY-SECBINFHSA-N -1 3 377.194 3.707 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc2occc2[n-]1 ZINC000786027963 876398172 /nfs/dbraw/zinc/39/81/72/876398172.db2.gz HIWGPVCDXIJIGI-UHFFFAOYSA-N -1 3 394.206 3.992 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C2CC2)n1 ZINC000173465641 876401203 /nfs/dbraw/zinc/40/12/03/876401203.db2.gz RCPTWFIMTAIFRR-CYBMUJFWSA-N -1 3 376.425 3.900 20 0 GHADHM COc1cc(Br)c(COC(=O)c2cc3occc3[n-]2)cc1OC ZINC000786031156 876418197 /nfs/dbraw/zinc/41/81/97/876418197.db2.gz OOIXNYWILNCIOU-UHFFFAOYSA-N -1 3 380.194 3.898 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000786031911 876420090 /nfs/dbraw/zinc/42/00/90/876420090.db2.gz UJHRJGDZCIEKBP-UHFFFAOYSA-N -1 3 390.399 3.620 20 0 GHADHM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000786100012 876445285 /nfs/dbraw/zinc/44/52/85/876445285.db2.gz GRSAPQFJPBPGEC-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3SCCc4ccccc43)c2)n1 ZINC000173565214 876476315 /nfs/dbraw/zinc/47/63/15/876476315.db2.gz JQRKOSSIVOZHOX-FQEVSTJZSA-N -1 3 391.496 3.968 20 0 GHADHM Cc1cc(NC(=O)COC(=O)c2cc3sccc3c([O-])c2)n(C(C)(C)C)n1 ZINC000786131851 876498547 /nfs/dbraw/zinc/49/85/47/876498547.db2.gz RSZPHTOBIRWPFQ-UHFFFAOYSA-N -1 3 387.461 3.662 20 0 GHADHM CC(=O)N(c1nc(COC(=O)c2cc3sccc3c([O-])c2)cs1)C1CC1 ZINC000786131905 876498634 /nfs/dbraw/zinc/49/86/34/876498634.db2.gz SMGDDNPUDRXUAG-UHFFFAOYSA-N -1 3 388.470 3.936 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000173836485 876675011 /nfs/dbraw/zinc/67/50/11/876675011.db2.gz HPLMCDAUHIHEHF-SNVBAGLBSA-N -1 3 386.367 3.870 20 0 GHADHM CO[C@@]1(C)C[C@@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000174018625 876781188 /nfs/dbraw/zinc/78/11/88/876781188.db2.gz IYAOVOFWIAJLIE-VLIAUNLRSA-N -1 3 387.505 3.880 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNCc2ccc3ccccc3c2)n1 ZINC000850414864 876894777 /nfs/dbraw/zinc/89/47/77/876894777.db2.gz BPUILFVCMNVKLB-UHFFFAOYSA-N -1 3 394.475 3.650 20 0 GHADHM COC(=O)CC(C)(C)C[C@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000850472707 876951102 /nfs/dbraw/zinc/95/11/02/876951102.db2.gz MNYHXLSRWJNAAG-ZDUSSCGKSA-N -1 3 388.430 3.953 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000786820655 876977684 /nfs/dbraw/zinc/97/76/84/876977684.db2.gz UOPNQDXJPLKYLI-UHFFFAOYSA-N -1 3 384.451 3.687 20 0 GHADHM CCc1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000786864780 876989229 /nfs/dbraw/zinc/98/92/29/876989229.db2.gz XIHQFFFAKCQRKA-UHFFFAOYSA-N -1 3 388.508 3.959 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1Cl ZINC000786879988 877032474 /nfs/dbraw/zinc/03/24/74/877032474.db2.gz IZOXLFRNUXMNLJ-UHFFFAOYSA-N -1 3 392.239 3.595 20 0 GHADHM Cc1ccc(C)c([C@@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c1 ZINC000850575890 877042158 /nfs/dbraw/zinc/04/21/58/877042158.db2.gz DHUJOBDTWGSNRL-OAHLLOKOSA-N -1 3 386.496 3.675 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1)c1ccccc1 ZINC000451021330 877199677 /nfs/dbraw/zinc/19/96/77/877199677.db2.gz PGGWGWXBXFWQRY-IBGZPJMESA-N -1 3 379.453 3.886 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530163690 877235850 /nfs/dbraw/zinc/23/58/50/877235850.db2.gz KIFCTGSARQVQOL-UHFFFAOYSA-N -1 3 399.491 3.759 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787310075 877334151 /nfs/dbraw/zinc/33/41/51/877334151.db2.gz WHVNAFIJELBFCS-UHFFFAOYSA-N -1 3 392.471 3.537 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787309298 877336002 /nfs/dbraw/zinc/33/60/02/877336002.db2.gz UJBLIKPHVAQIEB-MRXNPFEDSA-N -1 3 394.487 3.760 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C)n1[C@@H]1CCOC1 ZINC000530269524 877385752 /nfs/dbraw/zinc/38/57/52/877385752.db2.gz UTKWMRGQJGYJNQ-OAHLLOKOSA-N -1 3 391.431 3.850 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C)n1[C@@H]1CCOC1 ZINC000530269524 877385759 /nfs/dbraw/zinc/38/57/59/877385759.db2.gz UTKWMRGQJGYJNQ-OAHLLOKOSA-N -1 3 391.431 3.850 20 0 GHADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000530290585 877453204 /nfs/dbraw/zinc/45/32/04/877453204.db2.gz ZLCZFRYFICFZLR-GOSISDBHSA-N -1 3 393.516 3.897 20 0 GHADHM O=C(O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc2ccsc2[n-]1 ZINC000787597035 877514654 /nfs/dbraw/zinc/51/46/54/877514654.db2.gz JUULOUFRBQCOQM-MRXNPFEDSA-N -1 3 390.411 3.856 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2F)nc1)c1nnc2ccccc2c1[O-] ZINC000787687410 877555784 /nfs/dbraw/zinc/55/57/84/877555784.db2.gz SXVWOPVSFRWZAH-UHFFFAOYSA-N -1 3 376.347 3.914 20 0 GHADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1cccc(Cl)c1F ZINC000615280911 877586640 /nfs/dbraw/zinc/58/66/40/877586640.db2.gz KXIHUDMFLQCQSC-UHFFFAOYSA-N -1 3 385.888 3.797 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1 ZINC000914036302 877656942 /nfs/dbraw/zinc/65/69/42/877656942.db2.gz ZXIIDOGWDFCSTR-JOCHJYFZSA-N -1 3 397.425 3.891 20 0 GHADHM COC(=O)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000787846633 877664435 /nfs/dbraw/zinc/66/44/35/877664435.db2.gz XMARLWQICDWTDC-SFHVURJKSA-N -1 3 380.799 3.965 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NCCC1=CCCCC1 ZINC000787846598 877664731 /nfs/dbraw/zinc/66/47/31/877664731.db2.gz WPHLNZHJRUGEQG-OAHLLOKOSA-N -1 3 377.456 3.792 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787847383 877665937 /nfs/dbraw/zinc/66/59/37/877665937.db2.gz DHVKYYHYXRCKMN-HNNXBMFYSA-N -1 3 381.444 3.654 20 0 GHADHM CSc1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787845891 877666649 /nfs/dbraw/zinc/66/66/49/877666649.db2.gz RLMQVPWYQYBNGP-UHFFFAOYSA-N -1 3 377.437 3.758 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21)NC(=O)OC(C)(C)C ZINC000787910093 877709022 /nfs/dbraw/zinc/70/90/22/877709022.db2.gz HYQJQRZBJJHWAL-ZIAGYGMSSA-N -1 3 375.469 3.623 20 0 GHADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000451298044 877743623 /nfs/dbraw/zinc/74/36/23/877743623.db2.gz VGTDPRBYAKNYLT-UHFFFAOYSA-N -1 3 381.451 3.701 20 0 GHADHM O=C([O-])c1ccccc1CC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000851706877 877871146 /nfs/dbraw/zinc/87/11/46/877871146.db2.gz KZMJLZRSTFVZDN-HXUWFJFHSA-N -1 3 375.415 3.651 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000788221777 877927529 /nfs/dbraw/zinc/92/75/29/877927529.db2.gz DXNZLUPKWAMHQO-UHFFFAOYSA-N -1 3 399.878 3.554 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000176082316 878070612 /nfs/dbraw/zinc/07/06/12/878070612.db2.gz YKPOSNWHFZLVDN-UHFFFAOYSA-N -1 3 385.420 3.984 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1F ZINC000788480191 878092605 /nfs/dbraw/zinc/09/26/05/878092605.db2.gz GIQZRLFOKWPTQI-UHFFFAOYSA-N -1 3 395.452 3.854 20 0 GHADHM O=S(=O)([N-]CCCC1CCOCC1)c1cc(Br)ccc1Cl ZINC000451606125 878206309 /nfs/dbraw/zinc/20/63/09/878206309.db2.gz GVBAOOJAFAQOCH-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1Br ZINC000179951845 878256864 /nfs/dbraw/zinc/25/68/64/878256864.db2.gz CJIGOSLXXFARHK-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM O=c1nc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000451699117 878320092 /nfs/dbraw/zinc/32/00/92/878320092.db2.gz UEBDVUNZWUOLIN-RDBSUJKOSA-N -1 3 385.489 3.640 20 0 GHADHM CCc1cc2c(CN[C@@H](COC)c3cccc(OC)c3)cc(=O)oc2cc1[O-] ZINC000852447529 878329320 /nfs/dbraw/zinc/32/93/20/878329320.db2.gz ZYICJCNBPHGLMJ-IBGZPJMESA-N -1 3 383.444 3.547 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1C ZINC000615958115 878341455 /nfs/dbraw/zinc/34/14/55/878341455.db2.gz FECCITPKVKGSHD-UHFFFAOYSA-N -1 3 393.515 3.807 20 0 GHADHM CCc1ccc(C(=O)N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c([O-])c1 ZINC000616046342 878467617 /nfs/dbraw/zinc/46/76/17/878467617.db2.gz MYNDFWLWHGPCQL-UHFFFAOYSA-N -1 3 376.460 3.760 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)n1 ZINC000176964496 878500718 /nfs/dbraw/zinc/50/07/18/878500718.db2.gz XSACEPJEKSMQEJ-UHFFFAOYSA-N -1 3 391.262 3.799 20 0 GHADHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000451818601 878526349 /nfs/dbraw/zinc/52/63/49/878526349.db2.gz QBRPTKAYXRGYRU-SMDDNHRTSA-N -1 3 383.407 3.574 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1Br ZINC000451826640 878537175 /nfs/dbraw/zinc/53/71/75/878537175.db2.gz SNECONNWSFDVMQ-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1F ZINC000538121436 878846764 /nfs/dbraw/zinc/84/67/64/878846764.db2.gz NJXLLMIIDGZFKP-RDJZCZTQSA-N -1 3 387.835 3.735 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000111561017 879272529 /nfs/dbraw/zinc/27/25/29/879272529.db2.gz LQXMTZHFWBZBIS-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM CC[C@H](C)N(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000616986377 879289300 /nfs/dbraw/zinc/28/93/00/879289300.db2.gz QWRRIXWDLFMPPZ-AWEZNQCLSA-N -1 3 378.469 3.887 20 0 GHADHM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc2c1=O ZINC000790088958 879455487 /nfs/dbraw/zinc/45/54/87/879455487.db2.gz FBERDMUZISKLGP-UHFFFAOYSA-N -1 3 398.484 3.661 20 0 GHADHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790144007 879481679 /nfs/dbraw/zinc/48/16/79/879481679.db2.gz ADVBTCWRLYYYAO-SECBINFHSA-N -1 3 378.675 3.605 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000790270317 879582018 /nfs/dbraw/zinc/58/20/18/879582018.db2.gz JDGQZIOLADFPFD-NVXWUHKLSA-N -1 3 390.528 3.663 20 0 GHADHM CN1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246467224 879586293 /nfs/dbraw/zinc/58/62/93/879586293.db2.gz JITGDPXIDBFOLS-FUHWJXTLSA-N -1 3 395.837 3.568 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461344440 879609851 /nfs/dbraw/zinc/60/98/51/879609851.db2.gz WUAMSOAHRCGULL-UHFFFAOYSA-N -1 3 389.473 3.697 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1cccc(Cl)c1Br ZINC000493740479 879615393 /nfs/dbraw/zinc/61/53/93/879615393.db2.gz URIMBAQWFPHEDO-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)Cc2cccc(Cl)c2Br)o1 ZINC000914342542 879660944 /nfs/dbraw/zinc/66/09/44/879660944.db2.gz ZPVXHPGVOVWPSS-VIFPVBQESA-N -1 3 393.690 3.580 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000538539297 879678667 /nfs/dbraw/zinc/67/86/67/879678667.db2.gz SDBORJNBUIYQOI-JKSUJKDBSA-N -1 3 380.535 3.682 20 0 GHADHM CCOC(=O)[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1 ZINC001183367441 912483744 /nfs/dbraw/zinc/48/37/44/912483744.db2.gz FNOJFIYAIJLMTC-QGZVFWFLSA-N -1 3 390.399 3.503 20 0 GHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)c1C ZINC000790418059 879698764 /nfs/dbraw/zinc/69/87/64/879698764.db2.gz RDJBYCHTXOTAHB-ZDUSSCGKSA-N -1 3 375.494 3.900 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3nccc4ccccc43)nc21 ZINC000494073069 879895396 /nfs/dbraw/zinc/89/53/96/879895396.db2.gz PQVDCMZIMIIBKV-UHFFFAOYSA-N -1 3 392.440 3.629 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C(F)(F)F)c3F)nc21 ZINC000494115393 879912113 /nfs/dbraw/zinc/91/21/13/879912113.db2.gz HKCALBFKZOXNLJ-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854581987 879923879 /nfs/dbraw/zinc/92/38/79/879923879.db2.gz YACDROKPDOIKGT-OAQYLSRUSA-N -1 3 396.447 3.647 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCCc3ccc(OC)cc3)nc21 ZINC000494102928 879925256 /nfs/dbraw/zinc/92/52/56/879925256.db2.gz DXAHQFSAFIPDQH-UHFFFAOYSA-N -1 3 381.432 3.710 20 0 GHADHM CCn1cc(Br)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000531492671 879963642 /nfs/dbraw/zinc/96/36/42/879963642.db2.gz NAKOPVWEDSOYHG-UHFFFAOYSA-N -1 3 388.059 3.991 20 0 GHADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000790891186 880050251 /nfs/dbraw/zinc/05/02/51/880050251.db2.gz YJGCBVCLEOYNCC-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c1 ZINC000791131368 880235396 /nfs/dbraw/zinc/23/53/96/880235396.db2.gz JMACTJKIPWRQTR-QFIPXVFZSA-N -1 3 393.487 3.547 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)cc1F ZINC000184176333 880240611 /nfs/dbraw/zinc/24/06/11/880240611.db2.gz COTVMVMRLWMFSB-CYBMUJFWSA-N -1 3 381.473 3.745 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccnc3F)cc2)cc1 ZINC000791197246 880246716 /nfs/dbraw/zinc/24/67/16/880246716.db2.gz NZAJXRBKDGSPJO-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791346008 880343877 /nfs/dbraw/zinc/34/38/77/880343877.db2.gz YNYQDKYYWDTBKX-LBPRGKRZSA-N -1 3 376.478 3.594 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000791358418 880369974 /nfs/dbraw/zinc/36/99/74/880369974.db2.gz FDCZZGDOPBELED-MRXNPFEDSA-N -1 3 384.432 3.624 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000185486498 880596669 /nfs/dbraw/zinc/59/66/69/880596669.db2.gz NNUJSXMULASJDP-QGZVFWFLSA-N -1 3 382.794 3.607 20 0 GHADHM CS(=O)(=O)c1cccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccccc2)c1 ZINC000185558857 880616521 /nfs/dbraw/zinc/61/65/21/880616521.db2.gz SUCAVMORIHSYHU-NRFANRHFSA-N -1 3 385.460 3.814 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cc(OC(F)F)n(C)n2)s1)c1ccccc1 ZINC000185712657 880667564 /nfs/dbraw/zinc/66/75/64/880667564.db2.gz KOXZMTUCHNPNJN-LLVKDONJSA-N -1 3 393.419 3.667 20 0 GHADHM CC(C)Cc1nsc([N-]C(=O)c2cc(Cl)ncc2Br)n1 ZINC000855707008 880689046 /nfs/dbraw/zinc/68/90/46/880689046.db2.gz GBMPWXKVEHAQLP-UHFFFAOYSA-N -1 3 375.679 3.800 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(CN2CCSCC2)cc1C ZINC000186536146 880912166 /nfs/dbraw/zinc/91/21/66/880912166.db2.gz XPEMPDNSOGNNSF-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM CCOC(=O)[C@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCc2ccccc21 ZINC000792176666 880965318 /nfs/dbraw/zinc/96/53/18/880965318.db2.gz WQAPOEPDZTWRFB-QHCPKHFHSA-N -1 3 375.424 3.680 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000856135996 880983737 /nfs/dbraw/zinc/98/37/37/880983737.db2.gz IWKCKEJBQHVPLU-ZDUSSCGKSA-N -1 3 375.202 3.638 20 0 GHADHM Cn1cc(-c2cccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c2)cn1 ZINC000792483096 881137010 /nfs/dbraw/zinc/13/70/10/881137010.db2.gz QTNKTWDFBSGXER-UHFFFAOYSA-N -1 3 384.399 3.871 20 0 GHADHM Cn1cc(-c2cccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2)cn1 ZINC000792483096 881137025 /nfs/dbraw/zinc/13/70/25/881137025.db2.gz QTNKTWDFBSGXER-UHFFFAOYSA-N -1 3 384.399 3.871 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[n-]1 ZINC000187594370 881241463 /nfs/dbraw/zinc/24/14/63/881241463.db2.gz UERGSCPZWGMHFI-UHFFFAOYSA-N -1 3 393.774 3.599 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000532162943 881326295 /nfs/dbraw/zinc/32/62/95/881326295.db2.gz GVAIGBAADXICGW-MOPGFXCFSA-N -1 3 396.491 3.969 20 0 GHADHM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000551049216 883171609 /nfs/dbraw/zinc/17/16/09/883171609.db2.gz IKDDAPATLOORPL-HKUYNNGSSA-N -1 3 392.459 3.643 20 0 GHADHM COc1cc2c(cc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c3ccccc31)OCO2 ZINC000551072455 883234150 /nfs/dbraw/zinc/23/41/50/883234150.db2.gz BDUFMODSKRZGMT-QFIPXVFZSA-N -1 3 383.444 3.565 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000551073891 883235417 /nfs/dbraw/zinc/23/54/17/883235417.db2.gz XEQDYTQYNQVGNR-FQEVSTJZSA-N -1 3 395.377 3.842 20 0 GHADHM CCCCOCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551095137 883279330 /nfs/dbraw/zinc/27/93/30/883279330.db2.gz AUDGMNOGMHFHGQ-UHFFFAOYSA-N -1 3 384.723 3.588 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000135390163 883331572 /nfs/dbraw/zinc/33/15/72/883331572.db2.gz KJTSZNXJXBTSJT-GOSISDBHSA-N -1 3 386.879 3.699 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(-c2ccccc2)o1 ZINC000184333095 883344600 /nfs/dbraw/zinc/34/46/00/883344600.db2.gz GQGCRYSNMHFGMD-UHFFFAOYSA-N -1 3 386.411 3.961 20 0 GHADHM c1ccc(Cn2c(CNc3ccccc3-c3nnn[n-]3)nc3ccccc32)cc1 ZINC001170469653 883436155 /nfs/dbraw/zinc/43/61/55/883436155.db2.gz GKYHROHXOXFKFX-UHFFFAOYSA-N -1 3 381.443 3.877 20 0 GHADHM c1ccc(Cn2c(CNc3ccccc3-c3nn[n-]n3)nc3ccccc32)cc1 ZINC001170469653 883436162 /nfs/dbraw/zinc/43/61/62/883436162.db2.gz GKYHROHXOXFKFX-UHFFFAOYSA-N -1 3 381.443 3.877 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000007913897 883463266 /nfs/dbraw/zinc/46/32/66/883463266.db2.gz HNIYITKXWAJBAM-UHFFFAOYSA-N -1 3 380.444 3.658 20 0 GHADHM COCCCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000805043932 883556689 /nfs/dbraw/zinc/55/66/89/883556689.db2.gz YCOHKVIGJITPLF-UHFFFAOYSA-N -1 3 399.878 3.820 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(OC)c1 ZINC000193920882 883576611 /nfs/dbraw/zinc/57/66/11/883576611.db2.gz KWIFHGNYQNLTLO-INIZCTEOSA-N -1 3 396.409 3.631 20 0 GHADHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000186538472 883661443 /nfs/dbraw/zinc/66/14/43/883661443.db2.gz ZRFMJIOCEHCBAU-BLLLJJGKSA-N -1 3 390.281 3.842 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000609802678 883664184 /nfs/dbraw/zinc/66/41/84/883664184.db2.gz HVGABRZIQSGYHN-QMMMGPOBSA-N -1 3 394.301 3.881 20 0 GHADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914488948 883672398 /nfs/dbraw/zinc/67/23/98/883672398.db2.gz HSWURKNLKFZMIZ-NVXWUHKLSA-N -1 3 396.528 3.601 20 0 GHADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000136113234 883689201 /nfs/dbraw/zinc/68/92/01/883689201.db2.gz FKFDJJVJXMMFBU-UHFFFAOYSA-N -1 3 385.420 3.701 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(CC)CC3)nc(=O)c2c1C ZINC000053376754 883722364 /nfs/dbraw/zinc/72/23/64/883722364.db2.gz AOWDUAHCXMMIMY-LBPRGKRZSA-N -1 3 377.510 3.653 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000643610417 912746083 /nfs/dbraw/zinc/74/60/83/912746083.db2.gz JBWPRRLAFSYCNC-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1 ZINC000551377310 883774478 /nfs/dbraw/zinc/77/44/78/883774478.db2.gz WHMLQYFIILXRAY-UHFFFAOYSA-N -1 3 378.400 3.657 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C[C@@H](c2cccs2)n2cccc2)[n-]n1 ZINC001183733404 912762153 /nfs/dbraw/zinc/76/21/53/912762153.db2.gz LSJZYOULFWRNFX-AWEZNQCLSA-N -1 3 386.477 3.846 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C[C@@H](c2cccs2)n2cccc2)n[n-]1 ZINC001183733404 912762155 /nfs/dbraw/zinc/76/21/55/912762155.db2.gz LSJZYOULFWRNFX-AWEZNQCLSA-N -1 3 386.477 3.846 20 0 GHADHM Cc1csc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000532393962 883924111 /nfs/dbraw/zinc/92/41/11/883924111.db2.gz GTBHRQZDAURKCF-UHFFFAOYSA-N -1 3 391.493 3.681 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000102649035 884034556 /nfs/dbraw/zinc/03/45/56/884034556.db2.gz ASUMWEHWDOWRFE-QGZVFWFLSA-N -1 3 395.425 3.852 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c([O-])c1 ZINC000190324904 884068494 /nfs/dbraw/zinc/06/84/94/884068494.db2.gz XTADTQRHFARONS-INIZCTEOSA-N -1 3 386.496 3.763 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3Cc4ccccc4S3)nc(=O)c2c1C ZINC000012994129 884164030 /nfs/dbraw/zinc/16/40/30/884164030.db2.gz HUCZZQHPZGJWIB-YGRLFVJLSA-N -1 3 386.498 3.923 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2)n1 ZINC000064342692 884228373 /nfs/dbraw/zinc/22/83/73/884228373.db2.gz ZYHDUZIJONSFMQ-UHFFFAOYSA-N -1 3 387.798 3.555 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000556250087 884230678 /nfs/dbraw/zinc/23/06/78/884230678.db2.gz USIRQDOKGLSUCJ-KRWDZBQOSA-N -1 3 388.851 3.606 20 0 GHADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000914609763 884326095 /nfs/dbraw/zinc/32/60/95/884326095.db2.gz KAFVDDNCXOXHFH-KRWDZBQOSA-N -1 3 392.496 3.784 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000556297778 884397410 /nfs/dbraw/zinc/39/74/10/884397410.db2.gz INZYKDQZYLAYMT-UHFFFAOYSA-N -1 3 379.851 3.921 20 0 GHADHM O=C(Nc1ccc(NC2CCCCC2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000102781648 884438987 /nfs/dbraw/zinc/43/89/87/884438987.db2.gz FWSMGBJYLJESCR-UHFFFAOYSA-N -1 3 378.432 3.959 20 0 GHADHM CCOc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)ccc1OC(F)F ZINC000556321682 884448315 /nfs/dbraw/zinc/44/83/15/884448315.db2.gz FETWLGUATKZFFZ-HXUWFJFHSA-N -1 3 395.377 3.842 20 0 GHADHM COc1ccc2c(c1)CCC[C@]2(NCc1cn(-c2ccccc2)nc1C)C(=O)[O-] ZINC000556328636 884489081 /nfs/dbraw/zinc/48/90/81/884489081.db2.gz HGSPCFXNLNFPQR-HSZRJFAPSA-N -1 3 391.471 3.595 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2cnc(-c3ccc(Cl)cc3)s2)s1 ZINC000556357026 884573507 /nfs/dbraw/zinc/57/35/07/884573507.db2.gz YFMCOAHLDHMQGF-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216770 884636110 /nfs/dbraw/zinc/63/61/10/884636110.db2.gz WAYJGLLRTKULMS-GFCCVEGCSA-N -1 3 382.851 3.824 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000130498724 884697557 /nfs/dbraw/zinc/69/75/57/884697557.db2.gz OLAGPBYMNZAGMD-AWEZNQCLSA-N -1 3 394.468 3.689 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[N-]OCCC(F)(F)F ZINC000154866671 884706840 /nfs/dbraw/zinc/70/68/40/884706840.db2.gz JPZAJKFHJQUJHO-QWHCGFSZSA-N -1 3 382.423 3.850 20 0 GHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000263372530 884745015 /nfs/dbraw/zinc/74/50/15/884745015.db2.gz VUPVHDUOJZZATR-NWDGAFQWSA-N -1 3 379.254 3.647 20 0 GHADHM CC(C)OCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556399931 884781954 /nfs/dbraw/zinc/78/19/54/884781954.db2.gz UQJUEVNEYYFIBF-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046070 884800823 /nfs/dbraw/zinc/80/08/23/884800823.db2.gz DSHZAOOPEBNMPO-SNVBAGLBSA-N -1 3 385.247 3.707 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccc(Br)cc3)o2)n1 ZINC000761850838 884841344 /nfs/dbraw/zinc/84/13/44/884841344.db2.gz GZJPJHSMRADCRG-UHFFFAOYSA-N -1 3 379.239 3.595 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cn4cccn4)o3)nc(=O)c2c1C ZINC000919110415 884922035 /nfs/dbraw/zinc/92/20/35/884922035.db2.gz DKVRSMGXHPSELS-NSHDSACASA-N -1 3 398.444 3.770 20 0 GHADHM CNC(=O)c1sc2[n-]c(CSc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000053844369 885062415 /nfs/dbraw/zinc/06/24/15/885062415.db2.gz HJNATAFRKCOVSS-UHFFFAOYSA-N -1 3 379.894 3.598 20 0 GHADHM COc1ccccc1CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000053238331 885104727 /nfs/dbraw/zinc/10/47/27/885104727.db2.gz GDZDDZZKJIHOJA-UHFFFAOYSA-N -1 3 375.428 3.843 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C2CCC2)ccc1F ZINC001130778790 885105726 /nfs/dbraw/zinc/10/57/26/885105726.db2.gz JKBHGUQRJQFEID-KRWDZBQOSA-N -1 3 396.528 3.697 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)cc1C ZINC000301493008 885215815 /nfs/dbraw/zinc/21/58/15/885215815.db2.gz UDUZSJGVDRCEMM-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM CSc1cc(C(=O)[N-]NC(=O)c2cccc(C#N)c2)c(Cl)cc1Cl ZINC000153424239 885287691 /nfs/dbraw/zinc/28/76/91/885287691.db2.gz BUUBVCXNSYFMAO-UHFFFAOYSA-N -1 3 380.256 3.662 20 0 GHADHM COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)C(C)C)cc1 ZINC000919324904 885332782 /nfs/dbraw/zinc/33/27/82/885332782.db2.gz JYRSLKQRZGBDGI-IBGZPJMESA-N -1 3 397.431 3.807 20 0 GHADHM COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)C(C)C)cc1 ZINC000919324904 885332797 /nfs/dbraw/zinc/33/27/97/885332797.db2.gz JYRSLKQRZGBDGI-IBGZPJMESA-N -1 3 397.431 3.807 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3F)n[n-]2)o1 ZINC000919328155 885342813 /nfs/dbraw/zinc/34/28/13/885342813.db2.gz NBMWKWHSCADYKR-JTQLQIEISA-N -1 3 391.786 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3F)[n-]n2)o1 ZINC000919328155 885342832 /nfs/dbraw/zinc/34/28/32/885342832.db2.gz NBMWKWHSCADYKR-JTQLQIEISA-N -1 3 391.786 3.955 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3COC[C@@H]3c3ccccc3)c2)n1 ZINC000666587343 885367567 /nfs/dbraw/zinc/36/75/67/885367567.db2.gz FZYMGVYMWQLXCQ-UXHICEINSA-N -1 3 389.455 3.780 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 ZINC000131052170 885441991 /nfs/dbraw/zinc/44/19/91/885441991.db2.gz KPCNOHHZZBZHNI-UHFFFAOYSA-N -1 3 385.533 3.854 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000861921969 885994437 /nfs/dbraw/zinc/99/44/37/885994437.db2.gz RQTTWOOWXPPDCU-IAGOWNOFSA-N -1 3 388.508 3.810 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)ccc1F ZINC000808116141 886027981 /nfs/dbraw/zinc/02/79/81/886027981.db2.gz IYNKQFJNTZNNSA-UHFFFAOYSA-N -1 3 395.452 3.737 20 0 GHADHM C[C@H](NC(=O)Nc1ccc([O-])c(I)c1)c1ccccc1 ZINC001202505962 886030603 /nfs/dbraw/zinc/03/06/03/886030603.db2.gz DDEZBNICAVUDFJ-JTQLQIEISA-N -1 3 382.201 3.880 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C(=O)Nc1cncc([O-])c1 ZINC001184143117 913026911 /nfs/dbraw/zinc/02/69/11/913026911.db2.gz CAMZZHXHQHVQGE-APWZRJJASA-N -1 3 397.475 3.909 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)c(C)c2)CC1 ZINC000131606408 886341081 /nfs/dbraw/zinc/34/10/81/886341081.db2.gz PGIULIXTRPHTPB-UHFFFAOYSA-N -1 3 399.516 3.684 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc(OC)c1[O-] ZINC000762621245 886552520 /nfs/dbraw/zinc/55/25/20/886552520.db2.gz HDMCHIONIJFODC-MOPGFXCFSA-N -1 3 399.487 3.918 20 0 GHADHM Cc1ccc(C)c(OCCCOC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000915426458 886622523 /nfs/dbraw/zinc/62/25/23/886622523.db2.gz AMDKKXZJGYVJMH-LJQANCHMSA-N -1 3 397.471 3.626 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H](CCCc3ccccc3)C1)c2[O-] ZINC000119414089 886669606 /nfs/dbraw/zinc/66/96/06/886669606.db2.gz OIRLEDXKEPKGGE-KRWDZBQOSA-N -1 3 378.476 3.549 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCCC[C@H]1CCCc1ccccc1)c2[O-] ZINC000119420316 886674304 /nfs/dbraw/zinc/67/43/04/886674304.db2.gz LQZMQHKIZMUDOT-KRWDZBQOSA-N -1 3 378.476 3.692 20 0 GHADHM CCN(C(=O)CO[N-]C(=O)CCCc1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000762738237 886774283 /nfs/dbraw/zinc/77/42/83/886774283.db2.gz XCHXUVYKZHGOBY-KRWDZBQOSA-N -1 3 386.467 3.806 20 0 GHADHM Cc1nc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000915484015 886775682 /nfs/dbraw/zinc/77/56/82/886775682.db2.gz HTUPEUIWJLKXET-LJQANCHMSA-N -1 3 396.468 3.762 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC000614827051 886922959 /nfs/dbraw/zinc/92/29/59/886922959.db2.gz PJEMTOGCLMXNEV-OLZOCXBDSA-N -1 3 398.488 3.545 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000127500331 887068535 /nfs/dbraw/zinc/06/85/35/887068535.db2.gz CANQHUJRQUTHNP-UHFFFAOYSA-N -1 3 397.381 3.625 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1C ZINC000863427857 887099924 /nfs/dbraw/zinc/09/99/24/887099924.db2.gz IYBZBLLULIYOJR-UHFFFAOYSA-N -1 3 378.450 3.763 20 0 GHADHM COC(=O)c1cnc(Cl)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000863449419 887118754 /nfs/dbraw/zinc/11/87/54/887118754.db2.gz HFOMXFWYZASLDD-UHFFFAOYSA-N -1 3 382.869 3.620 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c([O-])c1 ZINC000863579237 887220439 /nfs/dbraw/zinc/22/04/39/887220439.db2.gz HXFUWKOHFGXHOY-SJLPKXTDSA-N -1 3 390.277 3.665 20 0 GHADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1cccs1 ZINC000915711493 887349971 /nfs/dbraw/zinc/34/99/71/887349971.db2.gz BWMIOWDZNBSHMV-GFCCVEGCSA-N -1 3 381.491 3.785 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)cc1C ZINC000041116588 887727305 /nfs/dbraw/zinc/72/73/05/887727305.db2.gz VPVDXEMPDFXYCL-UHFFFAOYSA-N -1 3 386.517 3.659 20 0 GHADHM Cc1ccnc(CNCC[C@H](Cc2ccccc2)C(=O)[O-])c1Br ZINC000864505969 887811940 /nfs/dbraw/zinc/81/19/40/887811940.db2.gz XROOSLPVMZNZFB-OAHLLOKOSA-N -1 3 377.282 3.576 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cccc(F)c1OC(F)(F)F)C(=O)[O-] ZINC000864512229 887816502 /nfs/dbraw/zinc/81/65/02/887816502.db2.gz CSLKPSWQMIBRNF-CYBMUJFWSA-N -1 3 381.391 3.967 20 0 GHADHM CC(C)=CC[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000864528875 887831598 /nfs/dbraw/zinc/83/15/98/887831598.db2.gz VQXKERNQUYGZFV-ZDUSSCGKSA-N -1 3 378.213 3.950 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000864605868 887883036 /nfs/dbraw/zinc/88/30/36/887883036.db2.gz IUHQKABVCFSTQF-UHFFFAOYSA-N -1 3 389.477 3.656 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000614840359 887921220 /nfs/dbraw/zinc/92/12/20/887921220.db2.gz CPXQBQACNCFPBH-UHFFFAOYSA-N -1 3 393.505 3.666 20 0 GHADHM CN(C(=O)c1cc2c(cc1[O-])OCO2)c1ccc(OCc2ccccc2)cc1 ZINC000444464192 887969379 /nfs/dbraw/zinc/96/93/79/887969379.db2.gz LBECAMFCFNNNBS-UHFFFAOYSA-N -1 3 377.396 3.977 20 0 GHADHM Cc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1Br ZINC000810072166 888125940 /nfs/dbraw/zinc/12/59/40/888125940.db2.gz HFLPATBRUKMYJI-CYBMUJFWSA-N -1 3 393.247 3.648 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810067585 888155228 /nfs/dbraw/zinc/15/52/28/888155228.db2.gz WSBQIGPNZZQJPM-LSDHHAIUSA-N -1 3 399.457 3.529 20 0 GHADHM CC(C)CCc1nc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000810070369 888156535 /nfs/dbraw/zinc/15/65/35/888156535.db2.gz OMLWBHSRTOLOKR-ZDUSSCGKSA-N -1 3 377.476 3.622 20 0 GHADHM COc1ccc2[nH]cc(C(=O)C(=O)Nc3cc(OC(F)(F)F)ccc3[O-])c2c1 ZINC001184491397 913225002 /nfs/dbraw/zinc/22/50/02/913225002.db2.gz WXZJIHIGOQTCEJ-UHFFFAOYSA-N -1 3 394.305 3.602 20 0 GHADHM O=C(NCCOc1cccc(Cl)c1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000056340240 888280303 /nfs/dbraw/zinc/28/03/03/888280303.db2.gz ZKCOBHCZLDPXIJ-UHFFFAOYSA-N -1 3 377.227 3.644 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000763214262 888321797 /nfs/dbraw/zinc/32/17/97/888321797.db2.gz AKTCKKJKIOHLSM-SNVBAGLBSA-N -1 3 386.304 3.908 20 0 GHADHM CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000810422021 888487795 /nfs/dbraw/zinc/48/77/95/888487795.db2.gz ZUXWCFXFFPYFHD-UHFFFAOYSA-N -1 3 395.846 3.647 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(N3CCCC3)c(Cl)c1)OCO2 ZINC000794868198 888576944 /nfs/dbraw/zinc/57/69/44/888576944.db2.gz SMGSBVQQGKSYTB-UHFFFAOYSA-N -1 3 394.880 3.778 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000810526760 888599395 /nfs/dbraw/zinc/59/93/95/888599395.db2.gz FSGNVHBDVWJLSV-CHWSQXEVSA-N -1 3 382.888 3.811 20 0 GHADHM O=c1nc(Cl)cc(N2CC3(CCOCC3)c3ccc(Br)cc32)[n-]1 ZINC000866005219 888685877 /nfs/dbraw/zinc/68/58/77/888685877.db2.gz NOIICXUJHSJLDS-UHFFFAOYSA-N -1 3 396.672 3.798 20 0 GHADHM O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1[N-]c1nccnc1C(F)F ZINC001170611974 888737896 /nfs/dbraw/zinc/73/78/96/888737896.db2.gz NGSMAXRTOYZUCV-LJQANCHMSA-N -1 3 379.370 3.642 20 0 GHADHM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000796103939 913279973 /nfs/dbraw/zinc/27/99/73/913279973.db2.gz MIFSGGCUCOMTHX-MEDUHNTESA-N -1 3 391.386 3.553 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](CC(C)(C)C)C2)cc1OC ZINC000454369214 888955492 /nfs/dbraw/zinc/95/54/92/888955492.db2.gz SBTIGKVYQNDIIV-AWEZNQCLSA-N -1 3 397.541 3.747 20 0 GHADHM O=C(NCc1ccccc1)OCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810862867 888966109 /nfs/dbraw/zinc/96/61/09/888966109.db2.gz OKBKSSMSXBFNIA-UHFFFAOYSA-N -1 3 378.837 3.966 20 0 GHADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866627546 888979419 /nfs/dbraw/zinc/97/94/19/888979419.db2.gz DCXKTFPLSKKMQB-KRWDZBQOSA-N -1 3 391.899 3.794 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(SCc3ccccc3)cn2)c(=O)[n-]1 ZINC000532821599 889012720 /nfs/dbraw/zinc/01/27/20/889012720.db2.gz WDAHFVHGUJTYIV-UHFFFAOYSA-N -1 3 380.473 3.668 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)OCCC(F)(F)F)CC1 ZINC000866835459 889049542 /nfs/dbraw/zinc/04/95/42/889049542.db2.gz ZOWJVNBKTMTOEA-UHFFFAOYSA-N -1 3 394.777 3.785 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCc3ccc(F)c(F)c3)c2)n1 ZINC000121610581 889055386 /nfs/dbraw/zinc/05/53/86/889055386.db2.gz FBZWLLBPDFDOBK-UHFFFAOYSA-N -1 3 384.382 3.952 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)c(F)c1 ZINC001211978524 889090296 /nfs/dbraw/zinc/09/02/96/889090296.db2.gz LQNUUTXSHSZAGC-GFCCVEGCSA-N -1 3 377.437 3.529 20 0 GHADHM O=C([O-])C[C@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000532881719 889152307 /nfs/dbraw/zinc/15/23/07/889152307.db2.gz PZRONIUENCOSAA-GOSISDBHSA-N -1 3 390.499 3.674 20 0 GHADHM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000763383325 889215237 /nfs/dbraw/zinc/21/52/37/889215237.db2.gz SQPAHZRQSXUUGS-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C=CCC2)c(Br)c1 ZINC000849429597 889293015 /nfs/dbraw/zinc/29/30/15/889293015.db2.gz BQXXQDOTHOZOQU-VIFPVBQESA-N -1 3 395.116 3.517 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123625082 889350594 /nfs/dbraw/zinc/35/05/94/889350594.db2.gz MEIXILMIKJLRPG-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123625082 889350605 /nfs/dbraw/zinc/35/06/05/889350605.db2.gz MEIXILMIKJLRPG-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(CCc1cccc2ccccc21)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000868444419 889445645 /nfs/dbraw/zinc/44/56/45/889445645.db2.gz LRRXWMGMUSJUOQ-OAHLLOKOSA-N -1 3 392.421 3.690 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1n1ccnc1 ZINC000123943188 889453512 /nfs/dbraw/zinc/45/35/12/889453512.db2.gz GGYCJYMPYOWWQN-UWJYYQICSA-N -1 3 375.472 3.903 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(C(C)C)c3C3CC3)c2)n1 ZINC000123999288 889476395 /nfs/dbraw/zinc/47/63/95/889476395.db2.gz AYQCJFNTLMGHIQ-UHFFFAOYSA-N -1 3 391.475 3.906 20 0 GHADHM CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395343 889536274 /nfs/dbraw/zinc/53/62/74/889536274.db2.gz CJYBHSHTCJJRRM-VIFPVBQESA-N -1 3 380.857 3.844 20 0 GHADHM CCc1ccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000811394854 889536533 /nfs/dbraw/zinc/53/65/33/889536533.db2.gz LBJHFDMXRNDDIS-UHFFFAOYSA-N -1 3 382.894 3.980 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000245755639 889648880 /nfs/dbraw/zinc/64/88/80/889648880.db2.gz YIDFVHLPIZNDIK-JQHSSLGASA-N -1 3 382.435 3.943 20 0 GHADHM COC(=O)CCCO[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000811560723 889748928 /nfs/dbraw/zinc/74/89/28/889748928.db2.gz CGABSFQIDFOEIO-UHFFFAOYSA-N -1 3 398.434 3.908 20 0 GHADHM Cc1c(NC(=O)c2nnc3ccccc3c2[O-])cnn1-c1ccc(Cl)cc1 ZINC000811583003 889764563 /nfs/dbraw/zinc/76/45/63/889764563.db2.gz LWBHINWMYDPUTK-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM CCn1nc(C)c(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c1Cl ZINC000869637606 890020525 /nfs/dbraw/zinc/02/05/25/890020525.db2.gz PNRYZEFULFXQCP-UHFFFAOYSA-N -1 3 389.737 3.623 20 0 GHADHM Cc1sc2nc(C)nc(N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)c2c1C ZINC000811856158 890051194 /nfs/dbraw/zinc/05/11/94/890051194.db2.gz LGNMRVLKTVGGKT-GFCCVEGCSA-N -1 3 386.443 3.511 20 0 GHADHM CC(C)CC1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000811892870 890093720 /nfs/dbraw/zinc/09/37/20/890093720.db2.gz GYCTYNBZRWDPJR-OAHLLOKOSA-N -1 3 391.478 3.693 20 0 GHADHM CCC[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000812026225 890236308 /nfs/dbraw/zinc/23/63/08/890236308.db2.gz IVEVNZUWRHLZPC-HOCLYGCPSA-N -1 3 391.478 3.836 20 0 GHADHM CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126189694 890410986 /nfs/dbraw/zinc/41/09/86/890410986.db2.gz DEXXYRORLKDFRW-UHFFFAOYSA-N -1 3 393.281 3.895 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000126235578 890438116 /nfs/dbraw/zinc/43/81/16/890438116.db2.gz QTNWCQQTLZADCT-JKSUJKDBSA-N -1 3 397.313 3.644 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274900 890493308 /nfs/dbraw/zinc/49/33/08/890493308.db2.gz LVPCVNKIZORYRI-UXLLHSPISA-N -1 3 384.442 3.733 20 0 GHADHM CC(C)C[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274955 890493418 /nfs/dbraw/zinc/49/34/18/890493418.db2.gz MSPSACSPBBLIHI-DOTOQJQBSA-N -1 3 384.442 3.733 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)cn1 ZINC000871269824 890718511 /nfs/dbraw/zinc/71/85/11/890718511.db2.gz VPMJVSBRBOMCHR-UHFFFAOYSA-N -1 3 386.305 3.632 20 0 GHADHM CN(C)c1ccc(-n2ccnc2SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000123563466 890739260 /nfs/dbraw/zinc/73/92/60/890739260.db2.gz CYDBZXIHUBYABQ-UHFFFAOYSA-N -1 3 393.472 3.986 20 0 GHADHM O=C(CCc1ccsc1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314314 890747140 /nfs/dbraw/zinc/74/71/40/890747140.db2.gz KFIYFVBYIBGMAW-CQSZACIVSA-N -1 3 396.434 3.880 20 0 GHADHM CSCC(C)(C)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316781 890751843 /nfs/dbraw/zinc/75/18/43/890751843.db2.gz YREYEKOVWHEKQS-LBPRGKRZSA-N -1 3 388.455 3.575 20 0 GHADHM CO[C@](C)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000455347839 890797074 /nfs/dbraw/zinc/79/70/74/890797074.db2.gz LLTUIKRAVCNDEU-GOSISDBHSA-N -1 3 393.281 3.516 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000533618474 890943882 /nfs/dbraw/zinc/94/38/82/890943882.db2.gz MYYFXDQAXULIGQ-UHFFFAOYSA-N -1 3 382.729 3.897 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)n1 ZINC000127190280 890945683 /nfs/dbraw/zinc/94/56/83/890945683.db2.gz PDSVRXHUKPXSBZ-LLVKDONJSA-N -1 3 391.884 3.705 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c1 ZINC000533651396 891048841 /nfs/dbraw/zinc/04/88/41/891048841.db2.gz WVZYLCSNAYLWPM-LJQANCHMSA-N -1 3 388.439 3.713 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3cn(C)c4ccccc34)cc2)n1 ZINC000127497591 891098479 /nfs/dbraw/zinc/09/84/79/891098479.db2.gz LQKBXKQTTWVRAI-UHFFFAOYSA-N -1 3 386.455 3.808 20 0 GHADHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000127506066 891102358 /nfs/dbraw/zinc/10/23/58/891102358.db2.gz VYYHHXJLYRHBIM-FPOVZHCZSA-N -1 3 376.456 3.957 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)cc1 ZINC000747831159 891206256 /nfs/dbraw/zinc/20/62/56/891206256.db2.gz CIBJMRCUKXLKRE-UHFFFAOYSA-N -1 3 386.467 3.552 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000747835469 891231084 /nfs/dbraw/zinc/23/10/84/891231084.db2.gz FZCAHDBRURHLBJ-RXVVDRJESA-N -1 3 380.488 3.611 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825616025 891277957 /nfs/dbraw/zinc/27/79/57/891277957.db2.gz UEJRVRIYYDJAIT-UHFFFAOYSA-N -1 3 389.868 3.721 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825616025 891277973 /nfs/dbraw/zinc/27/79/73/891277973.db2.gz UEJRVRIYYDJAIT-UHFFFAOYSA-N -1 3 389.868 3.721 20 0 GHADHM CC(C)c1cc([C@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)n[nH]1 ZINC000872789711 891329819 /nfs/dbraw/zinc/32/98/19/891329819.db2.gz AZVZUFVNZRTIBW-AWEZNQCLSA-N -1 3 383.525 3.686 20 0 GHADHM CC(C)c1cc([C@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)[nH]n1 ZINC000872789711 891329836 /nfs/dbraw/zinc/32/98/36/891329836.db2.gz AZVZUFVNZRTIBW-AWEZNQCLSA-N -1 3 383.525 3.686 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1OCC ZINC000825627105 891346175 /nfs/dbraw/zinc/34/61/75/891346175.db2.gz TXLHZYXJLVUTLT-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1OCC ZINC000825627105 891346185 /nfs/dbraw/zinc/34/61/85/891346185.db2.gz TXLHZYXJLVUTLT-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM COc1ccc(OC2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)cc1 ZINC000917139257 891446128 /nfs/dbraw/zinc/44/61/28/891446128.db2.gz PWYUGWGLZYXFLA-UHFFFAOYSA-N -1 3 381.428 3.551 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1C ZINC000614872814 891482935 /nfs/dbraw/zinc/48/29/35/891482935.db2.gz CRBKLNIOKSIURS-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(cccc3C(F)(F)F)s2)o1 ZINC000497568391 891907608 /nfs/dbraw/zinc/90/76/08/891907608.db2.gz TVVVYQILINSVLE-UHFFFAOYSA-N -1 3 390.364 3.564 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000813739675 891942283 /nfs/dbraw/zinc/94/22/83/891942283.db2.gz LQPBCHUORIHITO-TWGQIWQCSA-N -1 3 389.811 3.630 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1(CO)CCCC1 ZINC001212087997 891963032 /nfs/dbraw/zinc/96/30/32/891963032.db2.gz BZHIBGIKCVQQPV-QGZVFWFLSA-N -1 3 394.562 3.666 20 0 GHADHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(CCCc3c(Cl)cccc3Cl)C2)cn1 ZINC000874048139 891967764 /nfs/dbraw/zinc/96/77/64/891967764.db2.gz KWYBPLMJQDKINA-KBPBESRZSA-N -1 3 396.318 3.850 20 0 GHADHM CC(C)c1ccc([N-]S(=O)(=O)c2cnc(Cl)nc2)c(Br)c1 ZINC001185040996 913618320 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CCOC(=O)c1cc(Cl)cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1 ZINC001185137825 913657384 /nfs/dbraw/zinc/65/73/84/913657384.db2.gz LSUWBTZLDSJSDB-UHFFFAOYSA-N -1 3 389.807 3.737 20 0 GHADHM O=C(Nc1cc2c(cc1Br)OCCO2)c1cc([O-])ccc1Cl ZINC000814261229 892440447 /nfs/dbraw/zinc/44/04/47/892440447.db2.gz NIXVKTYZKMYZNX-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000263154030 892454331 /nfs/dbraw/zinc/45/43/31/892454331.db2.gz PURQEXJQSCUHQN-BZSNNMDCSA-N -1 3 386.536 3.708 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(C)c1 ZINC000917726449 892469166 /nfs/dbraw/zinc/46/91/66/892469166.db2.gz IUSDMEFDPUKQOF-UHFFFAOYSA-N -1 3 375.446 3.846 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C)c(C)c1Cl ZINC000825792706 892612358 /nfs/dbraw/zinc/61/23/58/892612358.db2.gz CLZAWOMFQCGYGK-UHFFFAOYSA-N -1 3 395.854 3.759 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C)c(C)c1Cl ZINC000825792706 892612366 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3CC(=O)CC4)c2)n1 ZINC000564568438 895089395 /nfs/dbraw/zinc/08/93/95/895089395.db2.gz MVIPXJKFTWPQFV-UHFFFAOYSA-N -1 3 387.439 3.722 20 0 GHADHM COc1ccc(-c2csc([N-]C(=O)c3c(F)ccnc3F)n2)cc1OC ZINC000816831987 895093332 /nfs/dbraw/zinc/09/33/32/895093332.db2.gz LYUJENAYEGOEKE-UHFFFAOYSA-N -1 3 377.372 3.753 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c(Cl)n1 ZINC000760326094 895175857 /nfs/dbraw/zinc/17/58/57/895175857.db2.gz ZOUAERMTTBXTLD-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816921352 895182654 /nfs/dbraw/zinc/18/26/54/895182654.db2.gz UGMNSIBQFDQKJV-CYBMUJFWSA-N -1 3 388.386 3.540 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)cc2)CC1 ZINC001135777996 895237700 /nfs/dbraw/zinc/23/77/00/895237700.db2.gz YSEXYIXPRBFDSB-UHFFFAOYSA-N -1 3 393.409 3.805 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000564876151 895293832 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Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)ccc1O ZINC000826260533 896748423 /nfs/dbraw/zinc/74/84/23/896748423.db2.gz SOOBOFRERYTEDJ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)ccc1O ZINC000826260533 896748429 /nfs/dbraw/zinc/74/84/29/896748429.db2.gz SOOBOFRERYTEDJ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CCC(=O)[N-]OC1CCOCC1)CC1CCCCC1 ZINC000819501582 896769815 /nfs/dbraw/zinc/76/98/15/896769815.db2.gz HHULDIMVYLXTRS-QGZVFWFLSA-N -1 3 398.544 3.857 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000826271655 896825998 /nfs/dbraw/zinc/82/59/98/896825998.db2.gz AWTUYIKWVGSCOY-GDBMZVCRSA-N -1 3 393.447 3.721 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000826271655 896826006 /nfs/dbraw/zinc/82/60/06/896826006.db2.gz AWTUYIKWVGSCOY-GDBMZVCRSA-N -1 3 393.447 3.721 20 0 GHADHM CCCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000025343653 896850435 /nfs/dbraw/zinc/85/04/35/896850435.db2.gz LJTQSGMINWJQGZ-UHFFFAOYSA-N -1 3 378.469 3.937 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000819700643 896915572 /nfs/dbraw/zinc/91/55/72/896915572.db2.gz ZSUGQHDTDCPIMY-UHFFFAOYSA-N -1 3 381.436 3.543 20 0 GHADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC001136260874 896965861 /nfs/dbraw/zinc/96/58/61/896965861.db2.gz CWIVAKCWGXHCGB-UHFFFAOYSA-N -1 3 380.257 3.930 20 0 GHADHM CCC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000882778434 896979364 /nfs/dbraw/zinc/97/93/64/896979364.db2.gz NYJCIASXWRCEDG-UHFFFAOYSA-N -1 3 398.431 3.504 20 0 GHADHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc([C@H](F)C(F)(F)F)cc2)CCOC1 ZINC000882795620 896993750 /nfs/dbraw/zinc/99/37/50/896993750.db2.gz QAWBIJWGGJIIMQ-LSDHHAIUSA-N -1 3 399.406 3.585 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348318 897283934 /nfs/dbraw/zinc/28/39/34/897283934.db2.gz BGSMHDMJSNOCPS-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348318 897283948 /nfs/dbraw/zinc/28/39/48/897283948.db2.gz BGSMHDMJSNOCPS-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM O=C1[N-]C(=O)/C(=C/N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc21 ZINC000131256678 897387729 /nfs/dbraw/zinc/38/77/29/897387729.db2.gz YAYIEFVWTQHCCP-KMPOOHAWSA-N -1 3 378.325 3.720 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])N[C@@H]1CCCC[C@H]1F ZINC001185937793 914181285 /nfs/dbraw/zinc/18/12/85/914181285.db2.gz WOQNHELGWGFGJS-QZTJIDSGSA-N -1 3 378.488 3.860 20 0 GHADHM COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000568211156 897678240 /nfs/dbraw/zinc/67/82/40/897678240.db2.gz UAFBNNRMZJPPII-LJQANCHMSA-N -1 3 389.455 3.782 20 0 GHADHM CC(C)(C)C1=CCN(CCNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000568424265 897824920 /nfs/dbraw/zinc/82/49/20/897824920.db2.gz JETURIWDZMJIQT-UHFFFAOYSA-N -1 3 381.314 3.563 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000821304523 897833222 /nfs/dbraw/zinc/83/32/22/897833222.db2.gz IZPMEBPWIUHCCZ-UHFFFAOYSA-N -1 3 377.235 3.858 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000821304542 897833432 /nfs/dbraw/zinc/83/34/32/897833432.db2.gz KBVDNPZLRBBKPQ-UHFFFAOYSA-N -1 3 391.262 3.787 20 0 GHADHM Clc1cccc(SCCCc2nc(-c3ccncc3)no2)c1-c1nnn[n-]1 ZINC000826353229 897987271 /nfs/dbraw/zinc/98/72/71/897987271.db2.gz GZVRGCJTPOTFEF-UHFFFAOYSA-N -1 3 399.867 3.690 20 0 GHADHM Clc1cccc(SCCCc2nc(-c3ccncc3)no2)c1-c1nn[n-]n1 ZINC000826353229 897987273 /nfs/dbraw/zinc/98/72/73/897987273.db2.gz GZVRGCJTPOTFEF-UHFFFAOYSA-N -1 3 399.867 3.690 20 0 GHADHM Cc1cccc(N)c1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185933301 914212319 /nfs/dbraw/zinc/21/23/19/914212319.db2.gz LLGQVWRXARJNNS-UHFFFAOYSA-N -1 3 383.492 3.992 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(OCc2ccccc2)cs1 ZINC001136496909 898082129 /nfs/dbraw/zinc/08/21/29/898082129.db2.gz TUHQCXUVGQILRS-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(OCc2ccccc2)cs1 ZINC001136496909 898082138 /nfs/dbraw/zinc/08/21/38/898082138.db2.gz TUHQCXUVGQILRS-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000774961140 914220638 /nfs/dbraw/zinc/22/06/38/914220638.db2.gz HIGJBIGOCAFYDC-UHFFFAOYSA-N -1 3 386.828 3.514 20 0 GHADHM FC(F)(F)[C@@H](NCc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826366884 898153076 /nfs/dbraw/zinc/15/30/76/898153076.db2.gz CBGIGKYCAYGYTF-KRWDZBQOSA-N -1 3 384.365 3.808 20 0 GHADHM FC(F)(F)[C@@H](NCc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826366884 898153083 /nfs/dbraw/zinc/15/30/83/898153083.db2.gz CBGIGKYCAYGYTF-KRWDZBQOSA-N -1 3 384.365 3.808 20 0 GHADHM CCN(CC)[C@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1Cl ZINC000029185358 898198441 /nfs/dbraw/zinc/19/84/41/898198441.db2.gz SYGIAYKCANOXAW-ITICKHJUSA-N -1 3 397.906 3.624 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001136559484 898263432 /nfs/dbraw/zinc/26/34/32/898263432.db2.gz ADRAOMSPLPDOIF-UHFFFAOYSA-N -1 3 394.402 3.973 20 0 GHADHM Cc1cc2oc(=O)cc(CNc3ccc(-c4nn[n-]n4)cc3Cl)c2cc1C ZINC000822212641 898269278 /nfs/dbraw/zinc/26/92/78/898269278.db2.gz AESZETLGFFMJFB-UHFFFAOYSA-N -1 3 381.823 3.855 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1ccc2n[nH]cc2c1 ZINC001186000509 914243604 /nfs/dbraw/zinc/24/36/04/914243604.db2.gz LSPNMFFPRFIBQK-UHFFFAOYSA-N -1 3 377.294 3.661 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822418878 898362403 /nfs/dbraw/zinc/36/24/03/898362403.db2.gz HRYZOJRVVVEWSE-CQSZACIVSA-N -1 3 386.415 3.550 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822418878 898362412 /nfs/dbraw/zinc/36/24/12/898362412.db2.gz HRYZOJRVVVEWSE-CQSZACIVSA-N -1 3 386.415 3.550 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)c(F)c1F ZINC001186037558 914266131 /nfs/dbraw/zinc/26/61/31/914266131.db2.gz OAGNWGRRDINPGS-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1cccc(C)c1C ZINC000800110348 898614060 /nfs/dbraw/zinc/61/40/60/898614060.db2.gz KMABMMMMQRCSBJ-HSNDNRACSA-N -1 3 391.464 3.637 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4oc(=O)[nH]c43)c2)n1 ZINC000569422684 898645439 /nfs/dbraw/zinc/64/54/39/898645439.db2.gz OPKKTLYGEFYEGT-UHFFFAOYSA-N -1 3 376.372 3.511 20 0 GHADHM C[C@@H]([N-]C(=O)c1ncc(C(F)(F)F)cc1Cl)c1noc(C(F)(F)F)n1 ZINC000822886816 898685827 /nfs/dbraw/zinc/68/58/27/898685827.db2.gz IZZOYOFBCAXDOW-SCSAIBSYSA-N -1 3 388.655 3.647 20 0 GHADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000155378202 898703472 /nfs/dbraw/zinc/70/34/72/898703472.db2.gz OKQBXYMSFQWVEQ-UHFFFAOYSA-N -1 3 392.843 3.601 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)COC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000800208440 898742763 /nfs/dbraw/zinc/74/27/63/898742763.db2.gz IHNUEYOZFYYFPC-QGZVFWFLSA-N -1 3 398.438 3.548 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)COC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000800208440 898742768 /nfs/dbraw/zinc/74/27/68/898742768.db2.gz IHNUEYOZFYYFPC-QGZVFWFLSA-N -1 3 398.438 3.548 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)COC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000800208440 898742785 /nfs/dbraw/zinc/74/27/85/898742785.db2.gz IHNUEYOZFYYFPC-QGZVFWFLSA-N -1 3 398.438 3.548 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000823252948 898919557 /nfs/dbraw/zinc/91/95/57/898919557.db2.gz BERUDYOXRYUBIH-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000823252948 898919576 /nfs/dbraw/zinc/91/95/76/898919576.db2.gz BERUDYOXRYUBIH-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(OC)cc2)c(F)cc1F ZINC000569844384 898980182 /nfs/dbraw/zinc/98/01/82/898980182.db2.gz DKJGFNIWRGWSKF-UHFFFAOYSA-N -1 3 388.326 3.667 20 0 GHADHM O=C(OCc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823426400 899043880 /nfs/dbraw/zinc/04/38/80/899043880.db2.gz GXNPMMXSVCSBDA-UHFFFAOYSA-N -1 3 399.332 3.791 20 0 GHADHM O=C(OCc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823426400 899043884 /nfs/dbraw/zinc/04/38/84/899043884.db2.gz GXNPMMXSVCSBDA-UHFFFAOYSA-N -1 3 399.332 3.791 20 0 GHADHM Cc1ccc(CN(CC2CC2)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cn1 ZINC000823511540 899086507 /nfs/dbraw/zinc/08/65/07/899086507.db2.gz ACYAXJRVFJBEPC-UHFFFAOYSA-N -1 3 383.398 3.562 20 0 GHADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000570049780 899091890 /nfs/dbraw/zinc/09/18/90/899091890.db2.gz HWQRTXIKTKRRSI-UHFFFAOYSA-N -1 3 384.457 3.625 20 0 GHADHM CC(C)Sc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646199408 914317576 /nfs/dbraw/zinc/31/75/76/914317576.db2.gz UWKSGPODNXDLTQ-UONOGXRCSA-N -1 3 387.505 3.681 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)[C@@H]1C[C@@H]1C ZINC000570159481 899164731 /nfs/dbraw/zinc/16/47/31/899164731.db2.gz LERRSIVGDWMYOY-LHSJRXKWSA-N -1 3 384.501 3.737 20 0 GHADHM O=C(C[C@@H]1CCc2cc(F)ccc2C1)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001186147639 914330084 /nfs/dbraw/zinc/33/00/84/914330084.db2.gz MGAREUSOFUCALJ-CQSZACIVSA-N -1 3 392.434 3.503 20 0 GHADHM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000156250339 899593354 /nfs/dbraw/zinc/59/33/54/899593354.db2.gz FANFVLVRTLQKHP-QWRGUYRKSA-N -1 3 393.336 3.765 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824492025 899635123 /nfs/dbraw/zinc/63/51/23/899635123.db2.gz WQKHRKQZJCDYOH-UONOGXRCSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824492025 899635130 /nfs/dbraw/zinc/63/51/30/899635130.db2.gz WQKHRKQZJCDYOH-UONOGXRCSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824764510 899792744 /nfs/dbraw/zinc/79/27/44/899792744.db2.gz WRPNLBLABJSKAT-SGTLLEGYSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824764510 899792754 /nfs/dbraw/zinc/79/27/54/899792754.db2.gz WRPNLBLABJSKAT-SGTLLEGYSA-N -1 3 387.846 3.794 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826404251 899832031 /nfs/dbraw/zinc/83/20/31/899832031.db2.gz UJOONMIAIBJETJ-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826404251 899832040 /nfs/dbraw/zinc/83/20/40/899832040.db2.gz UJOONMIAIBJETJ-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C)cc1[O-] ZINC000120926690 899915838 /nfs/dbraw/zinc/91/58/38/899915838.db2.gz JKTFSECITQSXMK-UHFFFAOYSA-N -1 3 380.366 3.820 20 0 GHADHM CCOCCOCc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000120968971 899924460 /nfs/dbraw/zinc/92/44/60/899924460.db2.gz LQAPZGOEJCEHOL-UHFFFAOYSA-N -1 3 398.434 3.781 20 0 GHADHM CC[C@H](C)OCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075882 899964973 /nfs/dbraw/zinc/96/49/73/899964973.db2.gz SDXRVOZXWQTEPX-LSDHHAIUSA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@H](C)OCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075882 899964980 /nfs/dbraw/zinc/96/49/80/899964980.db2.gz SDXRVOZXWQTEPX-LSDHHAIUSA-N -1 3 379.464 3.526 20 0 GHADHM CCCCc1ccc(C(=O)CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825296373 900077479 /nfs/dbraw/zinc/07/74/79/900077479.db2.gz GLNCUZBJRLORAY-UHFFFAOYSA-N -1 3 382.493 3.591 20 0 GHADHM CCCCc1ccc(C(=O)CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825296373 900077489 /nfs/dbraw/zinc/07/74/89/900077489.db2.gz GLNCUZBJRLORAY-UHFFFAOYSA-N -1 3 382.493 3.591 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C(=Cc1ccccc1)C(F)(F)F ZINC000825304880 900080042 /nfs/dbraw/zinc/08/00/42/900080042.db2.gz MKKWKZFZSWBUNV-OQLLNIDSSA-N -1 3 377.366 3.712 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(N(C)C)c1C ZINC000825318052 900090007 /nfs/dbraw/zinc/09/00/07/900090007.db2.gz HLWHWUUNRKNHOZ-UHFFFAOYSA-N -1 3 393.495 3.685 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(N(C)C)c1C ZINC000825318052 900090020 /nfs/dbraw/zinc/09/00/20/900090020.db2.gz HLWHWUUNRKNHOZ-UHFFFAOYSA-N -1 3 393.495 3.685 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC000825318881 900090482 /nfs/dbraw/zinc/09/04/82/900090482.db2.gz SSQDTUBLLBYVMA-UHFFFAOYSA-N -1 3 395.511 3.785 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC000825318881 900090488 /nfs/dbraw/zinc/09/04/88/900090488.db2.gz SSQDTUBLLBYVMA-UHFFFAOYSA-N -1 3 395.511 3.785 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1ccc2nsnc2c1 ZINC001186270906 914410783 /nfs/dbraw/zinc/41/07/83/914410783.db2.gz IYCCTKJFVOPJAQ-UHFFFAOYSA-N -1 3 395.334 3.789 20 0 GHADHM CCCc1c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825348499 900112035 /nfs/dbraw/zinc/11/20/35/900112035.db2.gz NOBNZQYUGZZQSD-YPKPFQOOSA-N -1 3 399.458 3.657 20 0 GHADHM CCCc1c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825348499 900112042 /nfs/dbraw/zinc/11/20/42/900112042.db2.gz NOBNZQYUGZZQSD-YPKPFQOOSA-N -1 3 399.458 3.657 20 0 GHADHM O=C(NC1(C(F)F)CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572266927 900119483 /nfs/dbraw/zinc/11/94/83/900119483.db2.gz KFROBFNJSMKYRI-UHFFFAOYSA-N -1 3 399.235 3.988 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)nc2)n1 ZINC000884657076 900222403 /nfs/dbraw/zinc/22/24/03/900222403.db2.gz HENXJXCTUKEZTH-UGSOOPFHSA-N -1 3 378.398 3.975 20 0 GHADHM CCCCc1ncc(CN2CC[C@@H](O)[C@@H](C)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748553 900475443 /nfs/dbraw/zinc/47/54/43/900475443.db2.gz RZYNBIJEZZFZRB-LAUBAEHRSA-N -1 3 399.535 3.565 20 0 GHADHM O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000289955434 914448723 /nfs/dbraw/zinc/44/87/23/914448723.db2.gz QLIZADIETZJMGC-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1coc(-c2ccccc2Cl)n1 ZINC000826464887 900703604 /nfs/dbraw/zinc/70/36/04/900703604.db2.gz QLWLDGCGUCPTNM-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1coc(-c2ccccc2Cl)n1 ZINC000826464887 900703616 /nfs/dbraw/zinc/70/36/16/900703616.db2.gz QLWLDGCGUCPTNM-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(Oc1ccccc1-c1nc2ccccc2s1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826468315 900709436 /nfs/dbraw/zinc/70/94/36/900709436.db2.gz LEHSZCJVPRUDOE-UHFFFAOYSA-N -1 3 388.412 3.691 20 0 GHADHM O=C(Oc1ccccc1-c1nc2ccccc2s1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826468315 900709442 /nfs/dbraw/zinc/70/94/42/900709442.db2.gz LEHSZCJVPRUDOE-UHFFFAOYSA-N -1 3 388.412 3.691 20 0 GHADHM COC/C(C)=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000844347909 900745453 /nfs/dbraw/zinc/74/54/53/900745453.db2.gz UMQULJHXXULIKN-WYMLVPIESA-N -1 3 388.489 3.635 20 0 GHADHM COc1ccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c([O-])c1 ZINC001144049712 900975612 /nfs/dbraw/zinc/97/56/12/900975612.db2.gz NJRCDKAELQQRMK-QGZVFWFLSA-N -1 3 388.895 3.839 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c([O-])c1 ZINC000886544351 901145017 /nfs/dbraw/zinc/14/50/17/901145017.db2.gz LJWINDFKFSYOIW-UHFFFAOYSA-N -1 3 393.443 3.861 20 0 GHADHM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1n[nH]c2ccc(Br)cc21 ZINC000646462504 914545181 /nfs/dbraw/zinc/54/51/81/914545181.db2.gz LNLWAJVDCXBCJP-UHFFFAOYSA-N -1 3 398.220 3.673 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000333262854 901951111 /nfs/dbraw/zinc/95/11/11/901951111.db2.gz MJUFKFLPOSCUBO-BHIYHBOVSA-N -1 3 384.520 3.720 20 0 GHADHM Cc1c(=O)c2cccc(C(=O)[N-]NC(=O)C3CCCC3)c2oc1-c1ccccc1 ZINC000047451040 902024426 /nfs/dbraw/zinc/02/44/26/902024426.db2.gz VFMMUWOKSOKDNP-UHFFFAOYSA-N -1 3 390.439 3.720 20 0 GHADHM CC(C)NC(=O)NCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000576875549 902327105 /nfs/dbraw/zinc/32/71/05/902327105.db2.gz LFYVFSCPJAHJLE-UHFFFAOYSA-N -1 3 392.506 3.598 20 0 GHADHM Cc1nc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)cs1 ZINC000576950885 902381013 /nfs/dbraw/zinc/38/10/13/902381013.db2.gz RDXZHVZCMZYWKU-LSDHHAIUSA-N -1 3 381.295 3.514 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cccnc2Cl)CC1 ZINC000263794723 902538087 /nfs/dbraw/zinc/53/80/87/902538087.db2.gz OQTIBENSESLKJW-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144659685 902611516 /nfs/dbraw/zinc/61/15/16/902611516.db2.gz PBFJWFVGOUIZAX-ICSRJNTNSA-N -1 3 375.415 3.982 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000263866121 902625070 /nfs/dbraw/zinc/62/50/70/902625070.db2.gz GOPHTZMQHBKILE-KSSFIOAISA-N -1 3 399.491 3.848 20 0 GHADHM Cc1cccc(C2(O)CCN(CCOc3ccc(/C=C/C(=O)[O-])cc3)CC2)c1C ZINC000846251185 902824952 /nfs/dbraw/zinc/82/49/52/902824952.db2.gz CSJAHADZQZUURZ-DHZHZOJOSA-N -1 3 395.499 3.764 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001144928438 903189685 /nfs/dbraw/zinc/18/96/85/903189685.db2.gz RYFKSNYZRYRTQC-ATFGOMPUSA-N -1 3 390.524 3.635 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC001144928438 903189689 /nfs/dbraw/zinc/18/96/89/903189689.db2.gz RYFKSNYZRYRTQC-ATFGOMPUSA-N -1 3 390.524 3.635 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846944921 903339267 /nfs/dbraw/zinc/33/92/67/903339267.db2.gz XIGNSWLDVVQUQE-UHFFFAOYSA-N -1 3 396.390 3.931 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(I)cc2F)cc1[O-] ZINC001146499446 903546715 /nfs/dbraw/zinc/54/67/15/903546715.db2.gz RGGWUTBONNIOBF-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cc(=O)[n-]cn3)cc2C)cc1 ZINC001146588147 903562604 /nfs/dbraw/zinc/56/26/04/903562604.db2.gz IFDMBEORBGGPRG-UHFFFAOYSA-N -1 3 391.471 3.959 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000578156344 903572618 /nfs/dbraw/zinc/57/26/18/903572618.db2.gz QGJWCQRIOCXXRR-KSSFIOAISA-N -1 3 387.277 3.551 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000134905274 903590217 /nfs/dbraw/zinc/59/02/17/903590217.db2.gz XKPHNILEOUPDKG-UHFFFAOYSA-N -1 3 399.438 3.921 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000134965380 903602334 /nfs/dbraw/zinc/60/23/34/903602334.db2.gz BKPDMKUSJUGUDK-UHFFFAOYSA-N -1 3 386.517 3.919 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c(C)c1 ZINC000135303873 903658749 /nfs/dbraw/zinc/65/87/49/903658749.db2.gz WSDXVGUBMJAFKE-UHFFFAOYSA-N -1 3 380.441 3.682 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001147050460 903675891 /nfs/dbraw/zinc/67/58/91/903675891.db2.gz LHNMCLVIOULOFD-RYUDHWBXSA-N -1 3 377.282 3.941 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887896246 903988503 /nfs/dbraw/zinc/98/85/03/903988503.db2.gz VSOAIBJYFJWVAC-ZDUSSCGKSA-N -1 3 387.361 3.984 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000578616898 904009544 /nfs/dbraw/zinc/00/95/44/904009544.db2.gz JLSBOYSACOVTHG-NRFANRHFSA-N -1 3 378.472 3.656 20 0 GHADHM O=C(NCc1ccc(N2CCCCC2)nc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646683269 914772955 /nfs/dbraw/zinc/77/29/55/914772955.db2.gz XRJYMCRKYRQGPN-UHFFFAOYSA-N -1 3 379.382 3.726 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H]3CCCOC3)cc2)cc(=O)[n-]1 ZINC000578745825 904095375 /nfs/dbraw/zinc/09/53/75/904095375.db2.gz INNRXGXMSBCNOA-QFBILLFUSA-N -1 3 382.464 3.581 20 0 GHADHM O=C([N-]CC1(O)CCC(F)(F)CC1)C(F)(F)c1cccc(Br)c1 ZINC001148553690 904110134 /nfs/dbraw/zinc/11/01/34/904110134.db2.gz JAYPPGJCWJBOHO-UHFFFAOYSA-N -1 3 398.194 3.598 20 0 GHADHM CC(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)ccc1[O-] ZINC001148662838 904162472 /nfs/dbraw/zinc/16/24/72/904162472.db2.gz SDXRVYWJYXKRPT-IRXDYDNUSA-N -1 3 390.480 3.503 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2ccc3cnn([C@@H]4CCCCO4)c3c2)ccc1[O-] ZINC001148664742 904164011 /nfs/dbraw/zinc/16/40/11/904164011.db2.gz SHKVHFYKDBTHML-FQEVSTJZSA-N -1 3 379.416 3.896 20 0 GHADHM CCc1[nH]nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1Br ZINC000579073162 904329072 /nfs/dbraw/zinc/32/90/72/904329072.db2.gz ABTVEXGJOQPYAA-UHFFFAOYSA-N -1 3 378.148 3.711 20 0 GHADHM O=C([N-]Cc1ccnc(Cl)c1)C(F)(F)c1ccc(Br)cc1 ZINC001299331048 904330792 /nfs/dbraw/zinc/33/07/92/904330792.db2.gz MUIPOTRSCCVAIG-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000773084759 904416637 /nfs/dbraw/zinc/41/66/37/904416637.db2.gz AKRMAWKYEJJWSN-AWEZNQCLSA-N -1 3 381.929 3.561 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1 ZINC000579204288 904426340 /nfs/dbraw/zinc/42/63/40/904426340.db2.gz MGDTWJPUWFZTRO-IEBWSBKVSA-N -1 3 385.464 3.694 20 0 GHADHM Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000105650031 905130618 /nfs/dbraw/zinc/13/06/18/905130618.db2.gz TXXIQTSCXNOZMH-UHFFFAOYSA-N -1 3 389.477 3.703 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(c2ccccc2)C2Cc3ccccc3C2)c(=O)[n-]1 ZINC000174059031 905193895 /nfs/dbraw/zinc/19/38/95/905193895.db2.gz WRPNIBYIJQTVKZ-UHFFFAOYSA-N -1 3 387.483 3.520 20 0 GHADHM COc1ccccc1-c1noc([C@H](C)N[C@H]2CCC[C@@H](C(F)(F)C(=O)[O-])C2)n1 ZINC000901464389 921134089 /nfs/dbraw/zinc/13/40/89/921134089.db2.gz IPEHDKGEJDJGTD-XQQFMLRXSA-N -1 3 395.406 3.675 20 0 GHADHM [O-]c1c(Cl)cc(Br)cc1Nc1ccc(CN2CC(O)C2)cc1 ZINC001212673046 905727964 /nfs/dbraw/zinc/72/79/64/905727964.db2.gz CVIDPRMKBMSRAB-UHFFFAOYSA-N -1 3 383.673 3.728 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccc(Br)s1)CC2 ZINC000901501553 921177132 /nfs/dbraw/zinc/17/71/32/921177132.db2.gz VECLJKJLSBLMJA-NSHDSACASA-N -1 3 396.310 3.587 20 0 GHADHM COc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OCc1ccccc1 ZINC000901502620 921178463 /nfs/dbraw/zinc/17/84/63/921178463.db2.gz USNVMQYFMIRGMC-IBGZPJMESA-N -1 3 381.472 3.961 20 0 GHADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)c2)n1 ZINC000190228285 905872811 /nfs/dbraw/zinc/87/28/11/905872811.db2.gz UJZORWXXKSWHEN-UHFFFAOYSA-N -1 3 379.441 3.627 20 0 GHADHM CC(C)[C@@H](O)[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000628133066 905977286 /nfs/dbraw/zinc/97/72/86/905977286.db2.gz TXSMQTXBLROMJU-IAGOWNOFSA-N -1 3 378.266 3.643 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc(OC)c1[O-] ZINC000628409254 906106588 /nfs/dbraw/zinc/10/65/88/906106588.db2.gz OUISJAZHOQSOGM-CYBMUJFWSA-N -1 3 377.387 3.707 20 0 GHADHM C/C(=C/c1cccc(C(F)(F)F)c1)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901528514 921206241 /nfs/dbraw/zinc/20/62/41/921206241.db2.gz UICSWPSGAIEABE-LPDYGMJQSA-N -1 3 394.397 3.736 20 0 GHADHM O=C([O-])C[C@@]1(NCc2ccc(-c3ccc(Br)cc3)o2)CCCOC1 ZINC000901528719 921206989 /nfs/dbraw/zinc/20/69/89/921206989.db2.gz ZISMGFINZLQXEU-SFHVURJKSA-N -1 3 394.265 3.823 20 0 GHADHM O=C(CCC[S@](=O)c1ccc(Br)cc1)[N-]OC1CCCCC1 ZINC000779322676 906199428 /nfs/dbraw/zinc/19/94/28/906199428.db2.gz AJDPCMGUMJTPIS-QFIPXVFZSA-N -1 3 388.327 3.717 20 0 GHADHM CCc1ncsc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178972598 906408979 /nfs/dbraw/zinc/40/89/79/906408979.db2.gz ANGWAMSXZFYKAZ-UHFFFAOYSA-N -1 3 393.896 3.555 20 0 GHADHM CC(C)c1ccc(-c2noc(CSc3nc4c(cnn4C)c(=O)[n-]3)n2)cc1 ZINC000629217411 906598398 /nfs/dbraw/zinc/59/83/98/906598398.db2.gz DOIQUYIIYCFCNP-UHFFFAOYSA-N -1 3 382.449 3.535 20 0 GHADHM CCc1ccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])cc1 ZINC001173869148 906724481 /nfs/dbraw/zinc/72/44/81/906724481.db2.gz YYZQNFUFVKPRNY-UHFFFAOYSA-N -1 3 384.457 3.819 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@@H]2CCC[C@H]21 ZINC000629374146 906746371 /nfs/dbraw/zinc/74/63/71/906746371.db2.gz SKHDXUYELOYGAC-RRFJBIMHSA-N -1 3 395.381 3.831 20 0 GHADHM O=C(NC[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)c1ccccc1 ZINC000191298685 906859102 /nfs/dbraw/zinc/85/91/02/906859102.db2.gz DFYKFXRWPYFKMP-AWEZNQCLSA-N -1 3 376.859 3.827 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000630020550 907097023 /nfs/dbraw/zinc/09/70/23/907097023.db2.gz DDYMRWPQTZIFKO-UHFFFAOYSA-N -1 3 385.464 3.623 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ncccc1[O-] ZINC000191594566 907099163 /nfs/dbraw/zinc/09/91/63/907099163.db2.gz PTHZMHQNEWFKMB-UHFFFAOYSA-N -1 3 377.231 3.900 20 0 GHADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191800256 907253284 /nfs/dbraw/zinc/25/32/84/907253284.db2.gz SGBMJUGZBNKGMA-UHFFFAOYSA-N -1 3 387.812 3.543 20 0 GHADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1csc(-c2cccc(Br)c2)n1 ZINC000630477871 907301210 /nfs/dbraw/zinc/30/12/10/907301210.db2.gz BTCPPASFCHGTPP-KGLIPLIRSA-N -1 3 381.295 3.916 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2ccc(Nc3c(F)cc([O-])cc3F)cc2)cc1 ZINC001175103063 907359026 /nfs/dbraw/zinc/35/90/26/907359026.db2.gz SQJLYHYXLJMJOO-UHFFFAOYSA-N -1 3 383.354 3.765 20 0 GHADHM CCOc1ccc(F)c(F)c1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001175283332 907461406 /nfs/dbraw/zinc/46/14/06/907461406.db2.gz ZXJBUXFHKFYKPV-UHFFFAOYSA-N -1 3 383.395 3.544 20 0 GHADHM O=C([N-]CC[C@@H]1CN(CC[C@H](O)c2ccccc2)c2ccccc21)C(F)(F)F ZINC001175482877 907569490 /nfs/dbraw/zinc/56/94/90/907569490.db2.gz ADNGPBUEWBVWIC-APWZRJJASA-N -1 3 392.421 3.783 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000901536760 921335798 /nfs/dbraw/zinc/33/57/98/921335798.db2.gz MPJYAYXJHXOKBB-UHFFFAOYSA-N -1 3 399.491 3.645 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000631882586 907867986 /nfs/dbraw/zinc/86/79/86/907867986.db2.gz GUGNKWQQGBKBRS-LLVKDONJSA-N -1 3 380.413 3.687 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000632051064 907911091 /nfs/dbraw/zinc/91/10/91/907911091.db2.gz AYADQHYWXPEULY-NEPJUHHUSA-N -1 3 377.457 3.533 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1c(F)ccc2ccc(C)nc21)OCC ZINC001176114849 907945537 /nfs/dbraw/zinc/94/55/37/907945537.db2.gz RPQMYJPPQVXQPM-UHFFFAOYSA-N -1 3 386.427 3.863 20 0 GHADHM O=C([O-])C[C@H](c1ccccc1)C1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000901597275 921384204 /nfs/dbraw/zinc/38/42/04/921384204.db2.gz CQXHPMHGEGFLDX-JOCHJYFZSA-N -1 3 390.487 3.738 20 0 GHADHM C[C@H](c1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1)C(F)(F)F ZINC001176858723 908297948 /nfs/dbraw/zinc/29/79/48/908297948.db2.gz JYFMCRJWBSZXOI-SNVBAGLBSA-N -1 3 377.366 3.881 20 0 GHADHM COc1ccc(-c2nc(CC(=O)Nc3c([O-])cccc3C(C)=O)cs2)cc1 ZINC001177145880 908424933 /nfs/dbraw/zinc/42/49/33/908424933.db2.gz BDSVUOUIOKYEOZ-UHFFFAOYSA-N -1 3 382.441 3.908 20 0 GHADHM CC1(F)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000634355772 908691830 /nfs/dbraw/zinc/69/18/30/908691830.db2.gz JKYQARRSJYSCEM-UHFFFAOYSA-N -1 3 394.443 3.591 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001177644490 908697889 /nfs/dbraw/zinc/69/78/89/908697889.db2.gz BRVHQBOIDIFERE-UHFFFAOYSA-N -1 3 394.500 3.659 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)CC2)c1 ZINC000634522109 908747602 /nfs/dbraw/zinc/74/76/02/908747602.db2.gz AZGZZNOMTKWARQ-INIZCTEOSA-N -1 3 397.475 3.983 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)n1 ZINC001177875463 908770504 /nfs/dbraw/zinc/77/05/04/908770504.db2.gz PAYBBOXDCXOLGA-FQEVSTJZSA-N -1 3 394.519 3.937 20 0 GHADHM CC[C@@H](C)C[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000901680814 921465554 /nfs/dbraw/zinc/46/55/54/921465554.db2.gz HHSQDLFTWCYJCD-KCJUWKMLSA-N -1 3 394.107 3.586 20 0 GHADHM O=C(NCc1nc2c([nH]1)CCCC2)c1cc(CCc2ccccc2)ccc1[O-] ZINC001178921790 909318399 /nfs/dbraw/zinc/31/83/99/909318399.db2.gz ADLXFCDTOBDKCB-UHFFFAOYSA-N -1 3 375.472 3.709 20 0 GHADHM O=C(CCC(F)(F)F)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000267106446 909389934 /nfs/dbraw/zinc/38/99/34/909389934.db2.gz AXUIPUGAWOVWDL-UHFFFAOYSA-N -1 3 378.778 3.565 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000636114406 909435772 /nfs/dbraw/zinc/43/57/72/909435772.db2.gz IJYZBNWLZFVZSC-CHWSQXEVSA-N -1 3 380.275 3.952 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318645 909537499 /nfs/dbraw/zinc/53/74/99/909537499.db2.gz CBEAYTYHDYIYOJ-UHFFFAOYSA-N -1 3 396.274 3.842 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318424 909537986 /nfs/dbraw/zinc/53/79/86/909537986.db2.gz VOAUDJHSWUCULE-UHFFFAOYSA-N -1 3 397.422 3.877 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cs1 ZINC000636319817 909539128 /nfs/dbraw/zinc/53/91/28/909539128.db2.gz YMPDDPXLMYVQHG-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM Cc1csc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1Br ZINC000636320970 909541473 /nfs/dbraw/zinc/54/14/73/909541473.db2.gz OJJQSTMCHWZIOJ-UHFFFAOYSA-N -1 3 382.283 3.512 20 0 GHADHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Br)c1 ZINC000636320528 909541965 /nfs/dbraw/zinc/54/19/65/909541965.db2.gz GSTXNOSZMAXYEK-NSHDSACASA-N -1 3 390.281 3.632 20 0 GHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321427 909543630 /nfs/dbraw/zinc/54/36/30/909543630.db2.gz SGKIZTACAWEIBK-CQSZACIVSA-N -1 3 377.444 3.687 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(F)c(F)cc1Br ZINC000636354146 909557277 /nfs/dbraw/zinc/55/72/77/909557277.db2.gz IOABVIFBOMZJSU-SNVBAGLBSA-N -1 3 390.209 3.683 20 0 GHADHM CC(C)O[C@@H](COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000795310996 909820764 /nfs/dbraw/zinc/82/07/64/909820764.db2.gz PEQUIIPQRPXDNL-CTNGQTDRSA-N -1 3 397.471 3.706 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948938 909824708 /nfs/dbraw/zinc/82/47/08/909824708.db2.gz NNKPYBNXRCPDHA-CYBMUJFWSA-N -1 3 399.834 3.826 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179948938 909824713 /nfs/dbraw/zinc/82/47/13/909824713.db2.gz NNKPYBNXRCPDHA-CYBMUJFWSA-N -1 3 399.834 3.826 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1CCc2cc(F)ccc21 ZINC001179954828 909864133 /nfs/dbraw/zinc/86/41/33/909864133.db2.gz NJMQASPFKLDYHK-KRWDZBQOSA-N -1 3 379.391 3.574 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1CCc2cc(F)ccc21 ZINC001179954828 909864139 /nfs/dbraw/zinc/86/41/39/909864139.db2.gz NJMQASPFKLDYHK-KRWDZBQOSA-N -1 3 379.391 3.574 20 0 GHADHM O=C(CCc1ccc(F)cc1F)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954955 909864317 /nfs/dbraw/zinc/86/43/17/909864317.db2.gz PHYRSQZBOHNKSB-UHFFFAOYSA-N -1 3 385.370 3.616 20 0 GHADHM O=C(CCc1ccc(F)cc1F)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954955 909864332 /nfs/dbraw/zinc/86/43/32/909864332.db2.gz PHYRSQZBOHNKSB-UHFFFAOYSA-N -1 3 385.370 3.616 20 0 GHADHM COCc1nc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n[nH]1 ZINC000268494374 909905770 /nfs/dbraw/zinc/90/57/70/909905770.db2.gz PUKGIJCHWOTFLF-MRVPVSSYSA-N -1 3 389.462 3.775 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])CO2 ZINC001180361480 910093506 /nfs/dbraw/zinc/09/35/06/910093506.db2.gz AXEAYEGXEABHAE-OAHLLOKOSA-N -1 3 399.443 3.546 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c1Cl ZINC000269153307 910163501 /nfs/dbraw/zinc/16/35/01/910163501.db2.gz SZCUSZLDHDCKSS-NHYWBVRUSA-N -1 3 396.361 3.635 20 0 GHADHM O=C([O-])c1cc(NC2CCN(Cc3ccccn3)CC2)ccc1N1CCCCC1 ZINC000901776580 921554371 /nfs/dbraw/zinc/55/43/71/921554371.db2.gz PZRTUURLWHWORH-UHFFFAOYSA-N -1 3 394.519 3.847 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1c(Cl)cccc1Cl ZINC000269327630 910218282 /nfs/dbraw/zinc/21/82/82/910218282.db2.gz LNBXFDORFPPZAU-NSHDSACASA-N -1 3 396.361 3.717 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nnc(C(F)F)s2)CC1 ZINC000269409012 910255549 /nfs/dbraw/zinc/25/55/49/910255549.db2.gz YRXDEJWQVTVYNW-UHFFFAOYSA-N -1 3 388.827 3.690 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001181300466 910690888 /nfs/dbraw/zinc/69/08/88/910690888.db2.gz MINSTGPXBRFCLN-HALDLXJZSA-N -1 3 388.489 3.544 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc([C@H]2CCOC2)c1 ZINC000270794266 910702746 /nfs/dbraw/zinc/70/27/46/910702746.db2.gz DZUIKEMXUDBSLF-HNNXBMFYSA-N -1 3 376.250 3.589 20 0 GHADHM O=c1nc(CN2CCC[C@@H]2c2ncccn2)[n-]c2scc(-c3ccco3)c21 ZINC000639847064 910706206 /nfs/dbraw/zinc/70/62/06/910706206.db2.gz YJODVAAJLRSZAI-CYBMUJFWSA-N -1 3 379.445 3.784 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640297060 910956873 /nfs/dbraw/zinc/95/68/73/910956873.db2.gz TYQPIFISJBLITR-WCQYABFASA-N -1 3 396.841 3.626 20 0 GHADHM CCCNc1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640301887 910960628 /nfs/dbraw/zinc/96/06/28/910960628.db2.gz LROOVKUWTYZUJL-UHFFFAOYSA-N -1 3 389.809 3.664 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308824 910963504 /nfs/dbraw/zinc/96/35/04/910963504.db2.gz UFWLSGQGNURIRZ-SNVBAGLBSA-N -1 3 377.242 3.576 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1C ZINC000640310135 910963529 /nfs/dbraw/zinc/96/35/29/910963529.db2.gz UMAJVAGUVDMJBT-HNNXBMFYSA-N -1 3 377.286 3.590 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](c2ccc(Br)cc2)C(C)C)[n-]n1 ZINC001182273472 911384112 /nfs/dbraw/zinc/38/41/12/911384112.db2.gz WXQNAKYOINXDJA-OAHLLOKOSA-N -1 3 394.269 3.727 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](c2ccc(Br)cc2)C(C)C)n[n-]1 ZINC001182273472 911384126 /nfs/dbraw/zinc/38/41/26/911384126.db2.gz WXQNAKYOINXDJA-OAHLLOKOSA-N -1 3 394.269 3.727 20 0 GHADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000283571540 911564076 /nfs/dbraw/zinc/56/40/76/911564076.db2.gz VSJVHQRQMIZMNB-CQSZACIVSA-N -1 3 388.489 3.639 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@H](CNCc1ncc(Br)cc1F)CCC2 ZINC000901882806 921686770 /nfs/dbraw/zinc/68/67/70/921686770.db2.gz VPOOYRBVCWSGAN-ZDUSSCGKSA-N -1 3 393.256 3.891 20 0 GHADHM CCOc1cc(Br)c([N-]S(=O)(=O)c2ccoc2)cc1OCC ZINC000285023345 912127021 /nfs/dbraw/zinc/12/70/21/912127021.db2.gz HDYGKZIQZDYPIZ-UHFFFAOYSA-N -1 3 390.255 3.640 20 0 GHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000642604542 912205976 /nfs/dbraw/zinc/20/59/76/912205976.db2.gz IEKGIEQCSORUFR-HXUWFJFHSA-N -1 3 398.459 3.625 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc2)CC1 ZINC000901918166 921731377 /nfs/dbraw/zinc/73/13/77/921731377.db2.gz UKYHDMQEMIUWNI-AQWUKCDYSA-N -1 3 382.460 3.580 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187009450 914938578 /nfs/dbraw/zinc/93/85/78/914938578.db2.gz YQVYKBRRFOWHLQ-INIZCTEOSA-N -1 3 388.475 3.879 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187009450 914938593 /nfs/dbraw/zinc/93/85/93/914938593.db2.gz YQVYKBRRFOWHLQ-INIZCTEOSA-N -1 3 388.475 3.879 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H](O)CCCc2ccccc2)c([O-])c1 ZINC001187052329 914986801 /nfs/dbraw/zinc/98/68/01/914986801.db2.gz GSHNZKGCFQBQEU-SFHVURJKSA-N -1 3 385.460 3.670 20 0 GHADHM Brc1ccc2c(c1)[C@@H](N=c1ncnc3[nH][n-]cc1-3)CCCS2 ZINC001187091329 915028883 /nfs/dbraw/zinc/02/88/83/915028883.db2.gz QLJHLQVKJXRBPR-LBPRGKRZSA-N -1 3 376.283 3.528 20 0 GHADHM COCCOc1ccccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001187212653 915122218 /nfs/dbraw/zinc/12/22/18/915122218.db2.gz XEZGQCMMFAZSRP-UHFFFAOYSA-N -1 3 387.432 3.625 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1C(F)(F)F)c1cc2c(s1)CCCC2 ZINC001187224018 915132662 /nfs/dbraw/zinc/13/26/62/915132662.db2.gz PVUCITHWNALTBV-UHFFFAOYSA-N -1 3 376.425 3.519 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c1Cl ZINC001187248886 915159044 /nfs/dbraw/zinc/15/90/44/915159044.db2.gz OCGZSMYIARZMKO-AWEZNQCLSA-N -1 3 380.337 3.911 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c(=O)[n-]1 ZINC000291758846 915351906 /nfs/dbraw/zinc/35/19/06/915351906.db2.gz ZEDDGGGRJXWXJH-UHFFFAOYSA-N -1 3 379.464 3.679 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1F ZINC000775129285 915368469 /nfs/dbraw/zinc/36/84/69/915368469.db2.gz VTEOGBNLTGPYHG-VIFPVBQESA-N -1 3 389.807 3.908 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1 ZINC001187808869 915527985 /nfs/dbraw/zinc/52/79/85/915527985.db2.gz RNNZVDYRSLXNAP-UHFFFAOYSA-N -1 3 399.472 3.749 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187929158 915624636 /nfs/dbraw/zinc/62/46/36/915624636.db2.gz OMXRCPJNSQMCNQ-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCC1)c1cnc(Cl)c(Cl)c1 ZINC001188097172 915753983 /nfs/dbraw/zinc/75/39/83/915753983.db2.gz CVIAZRUWYQEQNX-UHFFFAOYSA-N -1 3 375.252 3.885 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188097495 915754506 /nfs/dbraw/zinc/75/45/06/915754506.db2.gz MAPHURGJQHNJOU-AAEUAGOBSA-N -1 3 377.680 3.876 20 0 GHADHM Cc1ncccc1C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188197136 915805295 /nfs/dbraw/zinc/80/52/95/915805295.db2.gz OETIPYFIGBIADI-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM CCN(CC)C(=O)COc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000292855390 915875694 /nfs/dbraw/zinc/87/56/94/915875694.db2.gz ZPHUFISTPHUHLL-UHFFFAOYSA-N -1 3 376.840 3.545 20 0 GHADHM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccoc2)c1I ZINC001188615521 916057306 /nfs/dbraw/zinc/05/73/06/916057306.db2.gz PFHMRPJHRJPRKZ-UHFFFAOYSA-N -1 3 397.621 3.647 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001188646914 916075649 /nfs/dbraw/zinc/07/56/49/916075649.db2.gz JSVGBNFMMUIWCB-UHFFFAOYSA-N -1 3 381.863 3.865 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(F)cc1Br ZINC001188633646 916093753 /nfs/dbraw/zinc/09/37/53/916093753.db2.gz LMUBWYQGTJVJHV-VMPITWQZSA-N -1 3 384.270 3.888 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(Cc4ccsc4)CC3)c2c1 ZINC000649383603 916132336 /nfs/dbraw/zinc/13/23/36/916132336.db2.gz GBYBZCZPMLZPFZ-UHFFFAOYSA-N -1 3 381.501 3.934 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc3oc4ccccc4c3c1)C(=O)N2 ZINC001188826967 916234216 /nfs/dbraw/zinc/23/42/16/916234216.db2.gz ICKCTAUWPXFHDJ-HXUWFJFHSA-N -1 3 392.436 3.866 20 0 GHADHM CC1(c2ccc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)cc2)COC1 ZINC001188902452 916289064 /nfs/dbraw/zinc/28/90/64/916289064.db2.gz QGPGBFSHQSWAGW-UHFFFAOYSA-N -1 3 396.468 3.963 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)[C@@H]1C[C@@H]1C ZINC000649647051 916294382 /nfs/dbraw/zinc/29/43/82/916294382.db2.gz IEDXCQZBYUMSBK-KPZWWZAWSA-N -1 3 376.453 3.696 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1F)C(C)C ZINC001189072111 916387861 /nfs/dbraw/zinc/38/78/61/916387861.db2.gz NNXGDYNJQJANOI-HOTGVXAUSA-N -1 3 393.908 3.827 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(C(F)(F)F)nc1Cl ZINC000294003759 916523338 /nfs/dbraw/zinc/52/33/38/916523338.db2.gz DFNOGNFAVPROHE-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000775251053 916603467 /nfs/dbraw/zinc/60/34/67/916603467.db2.gz GFYRYRPBMRXRSC-UHFFFAOYSA-N -1 3 383.754 3.507 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Cc1ccccc1 ZINC001189392822 916633151 /nfs/dbraw/zinc/63/31/51/916633151.db2.gz LPJZRWYLMGYTMD-OAHLLOKOSA-N -1 3 386.439 3.894 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(Br)ccc1F ZINC001189454044 916659533 /nfs/dbraw/zinc/65/95/33/916659533.db2.gz GCPJJQKNSXFYFW-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)OC(C)C ZINC001189464772 916667463 /nfs/dbraw/zinc/66/74/63/916667463.db2.gz JWRYFMVZQCBWAG-GOSISDBHSA-N -1 3 399.459 3.726 20 0 GHADHM CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001189512326 916694287 /nfs/dbraw/zinc/69/42/87/916694287.db2.gz NMLMQLSSILDCHY-UHFFFAOYSA-N -1 3 381.306 3.791 20 0 GHADHM Cn1cc(CCNC(=O)c2cccc(OC(F)(F)F)c2[O-])c2ccccc21 ZINC001189765648 916901816 /nfs/dbraw/zinc/90/18/16/916901816.db2.gz OJMSZBSHQPBOFH-UHFFFAOYSA-N -1 3 378.350 3.755 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c(Cl)n1 ZINC001189957524 917021344 /nfs/dbraw/zinc/02/13/44/917021344.db2.gz QDMURUWFIOMINH-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000650505069 917040649 /nfs/dbraw/zinc/04/06/49/917040649.db2.gz PKERBIAMDKHTAN-KRWDZBQOSA-N -1 3 398.425 3.526 20 0 GHADHM COC(=O)c1sc2[n-]c(CSCc3cccc(F)c3F)nc(=O)c2c1C ZINC001190078758 917114503 /nfs/dbraw/zinc/11/45/03/917114503.db2.gz LNFKFNHOQXDFIO-UHFFFAOYSA-N -1 3 396.440 3.791 20 0 GHADHM COc1cc([O-])c(C(=O)NCc2ccc(Oc3ccccn3)cc2)c(OC)c1 ZINC001190143736 917126032 /nfs/dbraw/zinc/12/60/32/917126032.db2.gz DTTFKBSZKHXRPS-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM Cc1nc(-c2cccnc2)sc1C(=O)Nc1ncc([O-])cc1Br ZINC001190177845 917175653 /nfs/dbraw/zinc/17/56/53/917175653.db2.gz RLSMTXREHILFPH-UHFFFAOYSA-N -1 3 391.250 3.629 20 0 GHADHM CC[C@]([N-]S(=O)(=O)CCC1CCCC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001190199342 917193724 /nfs/dbraw/zinc/19/37/24/917193724.db2.gz RVEGUAQNTJNQAL-GOSISDBHSA-N -1 3 387.929 3.618 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1ncoc1-c1ccc(OC)cc1 ZINC001190216828 917202746 /nfs/dbraw/zinc/20/27/46/917202746.db2.gz ZEUCNAMWKYTEGF-UHFFFAOYSA-N -1 3 397.387 3.645 20 0 GHADHM O=c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2ccccc2[nH]1 ZINC001190296464 917254037 /nfs/dbraw/zinc/25/40/37/917254037.db2.gz SOHICLZXAIXXRA-UHFFFAOYSA-N -1 3 386.326 3.899 20 0 GHADHM COc1cc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)cc(OC)c1[O-] ZINC000362402362 917257345 /nfs/dbraw/zinc/25/73/45/917257345.db2.gz OSQXTVBAVPYZRP-UHFFFAOYSA-N -1 3 377.481 3.609 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC(C)(C)O1 ZINC001190339094 917270527 /nfs/dbraw/zinc/27/05/27/917270527.db2.gz AREFNLSIWOONQF-UHFFFAOYSA-N -1 3 383.407 3.859 20 0 GHADHM CO[C@@](C)(C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccccc1 ZINC001190497045 917391561 /nfs/dbraw/zinc/39/15/61/917391561.db2.gz USTBWSZWBREBSI-IBGZPJMESA-N -1 3 388.514 3.650 20 0 GHADHM O=C(CN[C@@H](COc1ccccc1)c1ccccc1)[N-]OCc1ccccc1 ZINC000775398391 917441248 /nfs/dbraw/zinc/44/12/48/917441248.db2.gz YFPJQRKUESDYAJ-QFIPXVFZSA-N -1 3 376.456 3.644 20 0 GHADHM FC1(F)CC(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000651301712 917575171 /nfs/dbraw/zinc/57/51/71/917575171.db2.gz DNRQCGIKOQGZHX-UHFFFAOYSA-N -1 3 396.195 3.872 20 0 GHADHM C=CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000363029098 917646869 /nfs/dbraw/zinc/64/68/69/917646869.db2.gz BZEBCYSYBCRRPW-UHFFFAOYSA-N -1 3 388.427 3.788 20 0 GHADHM O=C(NC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccc(=O)[n-]c1Cl ZINC001190917473 917661930 /nfs/dbraw/zinc/66/19/30/917661930.db2.gz FUUJXBUNGIXMHB-UHFFFAOYSA-N -1 3 393.874 3.644 20 0 GHADHM Cc1nc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)sc1-c1ccccc1 ZINC000775445145 917839618 /nfs/dbraw/zinc/83/96/18/917839618.db2.gz MUBHRPZQVVNOJZ-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM CCc1ccc(-c2noc(CN3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)cc1 ZINC000652501798 917914217 /nfs/dbraw/zinc/91/42/17/917914217.db2.gz QQUDWRMCMMNDKQ-QFIPXVFZSA-N -1 3 377.444 3.527 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000652818556 918020407 /nfs/dbraw/zinc/02/04/07/918020407.db2.gz KKYKLKDPHVPOFN-CQSZACIVSA-N -1 3 387.455 3.959 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC3(CCc4ccccc4C3)CC2)c(=O)[n-]1 ZINC000653037032 918097660 /nfs/dbraw/zinc/09/76/60/918097660.db2.gz RNSHZGWDZHILQV-UHFFFAOYSA-N -1 3 379.504 3.529 20 0 GHADHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1F ZINC001191906186 918296672 /nfs/dbraw/zinc/29/66/72/918296672.db2.gz ROHSLIQCVGWLKN-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3cc(OC)cnc3Cl)ccc2c1 ZINC001191941272 918310730 /nfs/dbraw/zinc/31/07/30/918310730.db2.gz XELRQSWSDATDKI-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1 ZINC001192092531 918388900 /nfs/dbraw/zinc/38/89/00/918388900.db2.gz NOJCBBMMZLHNIB-NRFANRHFSA-N -1 3 395.480 3.855 20 0 GHADHM CCc1cccc(N2C(=O)C(=Cc3cc(Cl)c([O-])c(OC)c3)NC2=S)c1 ZINC000015253355 919369298 /nfs/dbraw/zinc/36/92/98/919369298.db2.gz OATXXIHKUCTJEE-OQLLNIDSSA-N -1 3 388.876 3.879 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000038599679 919686064 /nfs/dbraw/zinc/68/60/64/919686064.db2.gz CMLUUHJRGWCKJC-UHFFFAOYSA-N -1 3 393.838 3.710 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000038599679 919686079 /nfs/dbraw/zinc/68/60/79/919686079.db2.gz CMLUUHJRGWCKJC-UHFFFAOYSA-N -1 3 393.838 3.710 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc(F)cc4[n-]nnc43)cc2)cc1 ZINC000800478276 920163276 /nfs/dbraw/zinc/16/32/76/920163276.db2.gz CCTFDYMAQFNOHG-UHFFFAOYSA-N -1 3 390.374 3.877 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc(F)cc4nn[n-]c43)cc2)cc1 ZINC000800478276 920163303 /nfs/dbraw/zinc/16/33/03/920163303.db2.gz CCTFDYMAQFNOHG-UHFFFAOYSA-N -1 3 390.374 3.877 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc(F)cc4n[n-]nc43)cc2)cc1 ZINC000800478276 920163313 /nfs/dbraw/zinc/16/33/13/920163313.db2.gz CCTFDYMAQFNOHG-UHFFFAOYSA-N -1 3 390.374 3.877 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000298413969 920511719 /nfs/dbraw/zinc/51/17/19/920511719.db2.gz YVAUVXDOCUTSSD-LBPRGKRZSA-N -1 3 381.398 3.970 20 0 GHADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800935198 920624050 /nfs/dbraw/zinc/62/40/50/920624050.db2.gz ILWWTYXGDCBBHK-GFCCVEGCSA-N -1 3 383.819 3.724 20 0 GHADHM CCc1nc(C[N-]c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)cs1 ZINC000902138489 921906796 /nfs/dbraw/zinc/90/67/96/921906796.db2.gz DBAMYRYRUPKPTC-LBPRGKRZSA-N -1 3 379.486 3.773 20 0 GHADHM CC(C)CC(=O)Nc1cccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000902164730 921944173 /nfs/dbraw/zinc/94/41/73/921944173.db2.gz LOANTABPOATRAZ-MRXNPFEDSA-N -1 3 384.476 3.813 20 0 GHADHM Cc1ccc(CNCc2ccnc3c(C(=O)[O-])cccc23)c(O[C@H]2CCOC2)c1 ZINC000902357082 922117824 /nfs/dbraw/zinc/11/78/24/922117824.db2.gz VTNPXYYNCNHQPX-SFHVURJKSA-N -1 3 392.455 3.699 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cccnc1C(F)(F)F ZINC000367892795 922361376 /nfs/dbraw/zinc/36/13/76/922361376.db2.gz SWKVARZULZXRAR-MRXNPFEDSA-N -1 3 393.390 3.563 20 0 GHADHM CC[C@H](C[C@@H](C)CO)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902886260 922579653 /nfs/dbraw/zinc/57/96/53/922579653.db2.gz RPAIVKGKCUFXPE-PSASIEDQSA-N -1 3 388.764 3.759 20 0 GHADHM C[C@H](C[C@H]1CCOC1)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902900264 922587332 /nfs/dbraw/zinc/58/73/32/922587332.db2.gz DGRKYLYIYDNJCF-RKDXNWHRSA-N -1 3 386.748 3.777 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000803122482 922715365 /nfs/dbraw/zinc/71/53/65/922715365.db2.gz YQIIBLNRHZXIKC-JTQLQIEISA-N -1 3 394.319 3.727 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC1CCC(=O)CC1 ZINC000803282145 922852575 /nfs/dbraw/zinc/85/25/75/922852575.db2.gz GEFBZTJXTQNHHU-OAQYLSRUSA-N -1 3 395.455 3.556 20 0 GHADHM Cn1ccc([C@@H](NC(=O)NCc2ccc([O-])c(F)c2)c2ccc(Cl)cc2)n1 ZINC000368856317 922926037 /nfs/dbraw/zinc/92/60/37/922926037.db2.gz OEBNANLPMALMPV-SFHVURJKSA-N -1 3 388.830 3.507 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369743839 923592109 /nfs/dbraw/zinc/59/21/09/923592109.db2.gz QFTQLRQZXLQKAG-LLVKDONJSA-N -1 3 394.818 3.723 20 0 GHADHM COc1ccc(-c2nc(COC(=O)c3cc(F)cc(Cl)c3[O-])no2)cc1 ZINC000748476322 923663236 /nfs/dbraw/zinc/66/32/36/923663236.db2.gz OUDYEHJFPVNUJQ-UHFFFAOYSA-N -1 3 378.743 3.600 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(N3CCSCC3)c(Cl)c2)c2ccccc21 ZINC000748688690 923785177 /nfs/dbraw/zinc/78/51/77/923785177.db2.gz AUHZGVCAWPITLG-FOWTUZBSSA-N -1 3 399.903 3.616 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)c1 ZINC000748836678 923855196 /nfs/dbraw/zinc/85/51/96/923855196.db2.gz TXTFMVTUEPPGCD-UHFFFAOYSA-N -1 3 380.366 3.728 20 0 GHADHM CC(C)c1ccc(-c2nc(CC(=O)N3CCc4nc[n-]c(=O)c4C3)cs2)cc1 ZINC000676783107 924071946 /nfs/dbraw/zinc/07/19/46/924071946.db2.gz YXFVACCLFWTAMK-UHFFFAOYSA-N -1 3 394.500 3.557 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCOc3c(-c4ccccc4)cccc32)s1 ZINC000677238621 924296226 /nfs/dbraw/zinc/29/62/26/924296226.db2.gz CWVLYUBHNQTDHK-QGZVFWFLSA-N -1 3 386.498 3.921 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H]1COc2ccccc21 ZINC000677244013 924296893 /nfs/dbraw/zinc/29/68/93/924296893.db2.gz XPWLTOXVSFREOY-XJKSGUPXSA-N -1 3 386.498 3.653 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@@H]1C(F)(F)F ZINC000678313214 924720627 /nfs/dbraw/zinc/72/06/27/924720627.db2.gz UBSDOHQZAMLSNT-GOSISDBHSA-N -1 3 379.378 3.581 20 0 GHADHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000678493188 924796988 /nfs/dbraw/zinc/79/69/88/924796988.db2.gz IIAMZXLACIZZEF-UHFFFAOYSA-N -1 3 385.835 3.721 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)[nH][n-]1 ZINC000409607673 924812640 /nfs/dbraw/zinc/81/26/40/924812640.db2.gz QOBDDCZBGQSPBD-UHFFFAOYSA-N -1 3 381.386 3.884 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409742929 924941107 /nfs/dbraw/zinc/94/11/07/924941107.db2.gz ABUGUMWXQDWBAW-CQSZACIVSA-N -1 3 395.228 3.617 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000410190881 925393502 /nfs/dbraw/zinc/39/35/02/925393502.db2.gz NOQVWQXQWYXYMK-UHFFFAOYSA-N -1 3 390.418 3.937 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)s1 ZINC000680514585 925501777 /nfs/dbraw/zinc/50/17/77/925501777.db2.gz KHAMYFOGTDSFRG-CHWSQXEVSA-N -1 3 375.874 3.739 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc2[nH]c(C(F)F)nc21 ZINC001137446374 925825040 /nfs/dbraw/zinc/82/50/40/925825040.db2.gz SBHKWZCPMBUNFX-UHFFFAOYSA-N -1 3 396.191 3.899 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000373339430 926033068 /nfs/dbraw/zinc/03/30/68/926033068.db2.gz ZFGNPJAOTBUNHI-UHFFFAOYSA-N -1 3 389.451 3.889 20 0 GHADHM COc1ccc(Cn2nccc2NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000682492295 926138019 /nfs/dbraw/zinc/13/80/19/926138019.db2.gz VCILOBAICHOAPK-UHFFFAOYSA-N -1 3 383.423 3.746 20 0 GHADHM COc1nnc([N-]C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)s1 ZINC000682680544 926207259 /nfs/dbraw/zinc/20/72/59/926207259.db2.gz LATKRVVCJARPEX-UHFFFAOYSA-N -1 3 385.474 3.567 20 0 GHADHM C[C@H]1CC[C@H](CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)O1 ZINC000682716963 926217560 /nfs/dbraw/zinc/21/75/60/926217560.db2.gz VCJDDNJZIWSGGC-GXFFZTMASA-N -1 3 376.869 3.834 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2coc(Br)c2)c(C#N)c1C ZINC000393566935 926411034 /nfs/dbraw/zinc/41/10/34/926411034.db2.gz FMBPRKKQWISJMO-UHFFFAOYSA-N -1 3 383.223 3.713 20 0 GHADHM CC[C@@H](C)N1C(=O)C[C@@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276165087 926440879 /nfs/dbraw/zinc/44/08/79/926440879.db2.gz NPJKFKIEHJPWFC-CWTRNNRKSA-N -1 3 399.318 3.839 20 0 GHADHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000725819673 926456439 /nfs/dbraw/zinc/45/64/39/926456439.db2.gz VIMJMSSZINPZKX-LBPRGKRZSA-N -1 3 389.304 3.835 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)c(C)c1 ZINC000749835373 927304216 /nfs/dbraw/zinc/30/42/16/927304216.db2.gz NGVWKDVSFATBFY-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM Cn1nncc1C=C(Cl)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000751031714 927991326 /nfs/dbraw/zinc/99/13/26/927991326.db2.gz BRJBSVYTWZSCRQ-YHYXMXQVSA-N -1 3 375.866 3.991 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1 ZINC000751098947 928029493 /nfs/dbraw/zinc/02/94/93/928029493.db2.gz SOYGDPWKLCAYSY-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H]3CCCc4ccccc43)[n-]c(=O)c12 ZINC000412989608 928079389 /nfs/dbraw/zinc/07/93/89/928079389.db2.gz GGXIIFMDWPOEPC-HNNXBMFYSA-N -1 3 381.457 3.995 20 0 GHADHM O=c1cc(COc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)nc(C2CC2)[n-]1 ZINC000412996751 928088482 /nfs/dbraw/zinc/08/84/82/928088482.db2.gz UFQNGDKFLYROIU-INIZCTEOSA-N -1 3 380.404 3.540 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)c(=O)[n-]1 ZINC000751672357 928314923 /nfs/dbraw/zinc/31/49/23/928314923.db2.gz QKBVHGSFBSSJQU-NSHDSACASA-N -1 3 387.823 3.954 20 0 GHADHM C[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000751707736 928338860 /nfs/dbraw/zinc/33/88/60/928338860.db2.gz YSJNDULFYYEDHC-SNVBAGLBSA-N -1 3 396.786 3.797 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc4[nH]c(=O)oc43)nc(=O)c2c1C ZINC000751937150 928494377 /nfs/dbraw/zinc/49/43/77/928494377.db2.gz BWDFQNCDGXRREK-MRVPVSSYSA-N -1 3 385.401 3.779 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1nc(C2CCCCC2)no1 ZINC000751972063 928522131 /nfs/dbraw/zinc/52/21/31/928522131.db2.gz NIQXPKLRUPKBAL-CYBMUJFWSA-N -1 3 386.477 3.705 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)cc1C ZINC000466960369 928544240 /nfs/dbraw/zinc/54/42/40/928544240.db2.gz ABDKNSQLUSTNPM-UHFFFAOYSA-N -1 3 397.338 3.928 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000752622213 928932744 /nfs/dbraw/zinc/93/27/44/928932744.db2.gz RQMXRIFGSOOQRB-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)cc1 ZINC000753019901 929161467 /nfs/dbraw/zinc/16/14/67/929161467.db2.gz SYMRKQDFQGSLKZ-OAQYLSRUSA-N -1 3 382.485 3.835 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000544508056 929241535 /nfs/dbraw/zinc/24/15/35/929241535.db2.gz FFBVJLQOJJKARP-URKNILKWSA-N -1 3 397.475 3.982 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1[O-] ZINC000753213755 929255479 /nfs/dbraw/zinc/25/54/79/929255479.db2.gz HQEGOPWBJINGSF-CGTJXYLNSA-N -1 3 388.508 3.720 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467712293 929329134 /nfs/dbraw/zinc/32/91/34/929329134.db2.gz YTKKLXWPAYKNHR-UHFFFAOYSA-N -1 3 393.397 3.832 20 0 GHADHM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000753472183 929363429 /nfs/dbraw/zinc/36/34/29/929363429.db2.gz ZFUVOUOFRCVTAU-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]CCC2=CCCC2)c(Cl)cc1Cl ZINC000753839655 929559016 /nfs/dbraw/zinc/55/90/16/929559016.db2.gz CJIIFRUAQGRNQH-UHFFFAOYSA-N -1 3 378.277 3.559 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-n2ccnn2)cc1 ZINC000757162603 929666870 /nfs/dbraw/zinc/66/68/70/929666870.db2.gz HRYQVLHQOLKIGX-NSHDSACASA-N -1 3 378.329 3.515 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000469234932 929720169 /nfs/dbraw/zinc/72/01/69/929720169.db2.gz SUPCJWPYXBKJHL-CQSZACIVSA-N -1 3 397.849 3.614 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(F)cc(F)c3N)nc(=O)c2c1C ZINC000757731719 929785768 /nfs/dbraw/zinc/78/57/68/929785768.db2.gz JTAFEDKWWOVVQW-ZETCQYMHSA-N -1 3 379.388 3.792 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c1 ZINC000469342818 929803672 /nfs/dbraw/zinc/80/36/72/929803672.db2.gz OJZVKUXGZBRKOI-UHFFFAOYSA-N -1 3 391.427 3.619 20 0 GHADHM CN(Cc1nccn1Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469415164 929864890 /nfs/dbraw/zinc/86/48/90/929864890.db2.gz AQXFMSDHQBLSEX-UHFFFAOYSA-N -1 3 381.451 3.757 20 0 GHADHM Cc1cc(F)cc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)c1 ZINC000546325716 930056034 /nfs/dbraw/zinc/05/60/34/930056034.db2.gz WUVCACXESUHAMD-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM CSc1ccccc1S(=O)(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000780364774 930500303 /nfs/dbraw/zinc/50/03/03/930500303.db2.gz DKOVGDGNBPBOHP-UHFFFAOYSA-N -1 3 397.831 3.781 20 0 GHADHM Cc1cccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)c1 ZINC000546937290 930544927 /nfs/dbraw/zinc/54/49/27/930544927.db2.gz DPFVMVHBMTVFBJ-UHFFFAOYSA-N -1 3 375.425 3.538 20 0 GHADHM COc1cc(C(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)cc(OC)c1[O-] ZINC000547271451 930869809 /nfs/dbraw/zinc/86/98/09/930869809.db2.gz PEZPBDFWKXOZRV-BDVYOWHSSA-N -1 3 377.481 3.609 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)c1nc([C@H](F)c2ccc(Cl)cc2)no1 ZINC000924053438 931183277 /nfs/dbraw/zinc/18/32/77/931183277.db2.gz IDUKKDDROINBSN-ZIAGYGMSSA-N -1 3 387.864 3.561 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783551514 931579762 /nfs/dbraw/zinc/57/97/62/931579762.db2.gz HZHWYKIZLATVAP-AWEZNQCLSA-N -1 3 382.416 3.763 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000783645954 931606070 /nfs/dbraw/zinc/60/60/70/931606070.db2.gz ODYOYQDODRVKEQ-CQSZACIVSA-N -1 3 377.828 3.645 20 0 GHADHM Cc1ccc(OCCCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1C ZINC000783961698 931732232 /nfs/dbraw/zinc/73/22/32/931732232.db2.gz HNNWJYHXIPOHTI-UHFFFAOYSA-N -1 3 382.416 3.961 20 0 GHADHM Nc1cc(Cl)c(Cl)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783962928 931733550 /nfs/dbraw/zinc/73/35/50/931733550.db2.gz PAVWWXCJOGPASL-UHFFFAOYSA-N -1 3 380.187 3.688 20 0 GHADHM O=C([N-]CCCN1CCC[C@@H]1c1ccc(Br)s1)C(F)(F)F ZINC000784532275 931927906 /nfs/dbraw/zinc/92/79/06/931927906.db2.gz YEOZROYBBPUZNP-SECBINFHSA-N -1 3 385.249 3.716 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC34CCOCC4)cc2)cc(=O)[n-]1 ZINC000558578016 932083862 /nfs/dbraw/zinc/08/38/62/932083862.db2.gz FUHQPYLHGIYFPN-GOSISDBHSA-N -1 3 382.464 3.628 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCCc3ccc(F)cc32)ccc1F ZINC000797236431 932230000 /nfs/dbraw/zinc/23/00/00/932230000.db2.gz QCSZMLMBXPFJGS-QGZVFWFLSA-N -1 3 381.400 3.571 20 0 GHADHM CC(C)c1ccc([C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)c2cccnc2)cc1 ZINC000926813761 932316884 /nfs/dbraw/zinc/31/68/84/932316884.db2.gz RAMOQTCHFIZDRE-JOCHJYFZSA-N -1 3 390.487 3.653 20 0 GHADHM COc1cc(Br)c(C(=O)Nc2cccc(C(C)=O)c2C)cc1[O-] ZINC001149068241 932325032 /nfs/dbraw/zinc/32/50/32/932325032.db2.gz DVBWISLVLDFHLH-UHFFFAOYSA-N -1 3 378.222 3.927 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000558936055 932326336 /nfs/dbraw/zinc/32/63/36/932326336.db2.gz NBIGPDXEVBIPKO-UHFFFAOYSA-N -1 3 377.224 3.756 20 0 GHADHM O=C([N-]CC1CCN(C(=O)NCc2csc3ccccc23)CC1)C(F)(F)F ZINC000798365362 932616150 /nfs/dbraw/zinc/61/61/50/932616150.db2.gz RAKPKHNDGRIQBK-UHFFFAOYSA-N -1 3 399.438 3.501 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000777645282 932696394 /nfs/dbraw/zinc/69/63/94/932696394.db2.gz QNQZXGZGBGOHEV-UHFFFAOYSA-N -1 3 381.429 3.625 20 0 GHADHM O=C(OCc1cnc(Cl)cn1)c1n[n-]c(-c2ccccc2)c1Br ZINC000798635976 932723300 /nfs/dbraw/zinc/72/33/00/932723300.db2.gz DDEOUVQCZCODOE-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)nc(C2CC2)n3C)sc1Cl ZINC000559635780 932768772 /nfs/dbraw/zinc/76/87/72/932768772.db2.gz CKPOKTSQPULVOP-UHFFFAOYSA-N -1 3 395.937 3.953 20 0 GHADHM O=C([N-]CC1CCN(Cc2cc3ccccc3nc2Cl)CC1)C(F)(F)F ZINC000798957536 932839375 /nfs/dbraw/zinc/83/93/75/932839375.db2.gz CQTLHEDTSUJLBR-UHFFFAOYSA-N -1 3 385.817 3.779 20 0 GHADHM O=C([N-]c1cccc2ocnc21)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000560101616 933065147 /nfs/dbraw/zinc/06/51/47/933065147.db2.gz KJMYSCHVUHEJHT-UHFFFAOYSA-N -1 3 391.284 3.819 20 0 GHADHM CC(C)(CCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000799635578 933074009 /nfs/dbraw/zinc/07/40/09/933074009.db2.gz XSROXLVPMHRYTP-UHFFFAOYSA-N -1 3 379.453 3.722 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OS(=O)(=O)CC(C)(C)C)cc2)cc1 ZINC000799744455 933108128 /nfs/dbraw/zinc/10/81/28/933108128.db2.gz LAYQGMJYDPVVKZ-UHFFFAOYSA-N -1 3 397.518 3.551 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929143146 933257225 /nfs/dbraw/zinc/25/72/25/933257225.db2.gz YURSGAVQBKHSBI-OAHLLOKOSA-N -1 3 383.496 3.829 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001116241966 933430909 /nfs/dbraw/zinc/43/09/09/933430909.db2.gz ONOBQMGGECFGCS-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC001116294366 933461882 /nfs/dbraw/zinc/46/18/82/933461882.db2.gz WORHNHKOIUQSBN-UHFFFAOYSA-N -1 3 393.237 3.571 20 0 GHADHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1cccc(O)c1 ZINC001116386996 933527987 /nfs/dbraw/zinc/52/79/87/933527987.db2.gz SRJRHWSBIXPHHD-HNNXBMFYSA-N -1 3 383.778 3.558 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]([C@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000929763008 933620300 /nfs/dbraw/zinc/62/03/00/933620300.db2.gz LDMHWKCEYBNCKU-MSOLQXFVSA-N -1 3 396.491 3.828 20 0 GHADHM COc1c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)cnn1-c1ccccc1 ZINC001116651616 933683582 /nfs/dbraw/zinc/68/35/82/933683582.db2.gz CCAWNCDXHCZBJK-UHFFFAOYSA-N -1 3 395.419 3.791 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2c(F)cncc2F)CC1 ZINC000929883586 933689233 /nfs/dbraw/zinc/68/92/33/933689233.db2.gz NFOCDUSDFACREV-UHFFFAOYSA-N -1 3 381.810 3.570 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCCC2)c1)c1cnc(-c2ccccc2)nc1 ZINC001116686869 933703689 /nfs/dbraw/zinc/70/36/89/933703689.db2.gz WXFAWMQQIFNPAJ-UHFFFAOYSA-N -1 3 394.500 3.540 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n(-c2ccc(F)cc2)n1 ZINC000561100288 933866306 /nfs/dbraw/zinc/86/63/06/933866306.db2.gz OMTMCNZRMOJAHH-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000561520048 934236087 /nfs/dbraw/zinc/23/60/87/934236087.db2.gz WGUROXVGUCATCU-GFCCVEGCSA-N -1 3 388.411 3.581 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001119397313 934342604 /nfs/dbraw/zinc/34/26/04/934342604.db2.gz PIUZUZKEAZOOLX-UHFFFAOYSA-N -1 3 382.416 3.763 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@H]1c1ccc(F)cc1F ZINC001119598153 934371092 /nfs/dbraw/zinc/37/10/92/934371092.db2.gz NHOJIZLEYDIGCE-DLBZAZTESA-N -1 3 393.817 3.853 20 0 GHADHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777956155 934383288 /nfs/dbraw/zinc/38/32/88/934383288.db2.gz CGTYZLGHXQDBRS-JTQLQIEISA-N -1 3 375.277 3.827 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)CC3CCC3)c2)c1 ZINC001120674161 934490235 /nfs/dbraw/zinc/49/02/35/934490235.db2.gz MPWZWUYSIDSFIM-UHFFFAOYSA-N -1 3 398.459 3.534 20 0 GHADHM Cc1c(C(=O)[N-]c2cnoc2C(C)C)nnn1-c1cccc(Br)c1 ZINC001120691408 934493915 /nfs/dbraw/zinc/49/39/15/934493915.db2.gz VAWIFCMTAHAHNE-UHFFFAOYSA-N -1 3 390.241 3.702 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(-c3cccnc3)s2)c1F ZINC000562308767 934816071 /nfs/dbraw/zinc/81/60/71/934816071.db2.gz SBOFHMKTBYDASZ-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001122577794 934906550 /nfs/dbraw/zinc/90/65/50/934906550.db2.gz MGUWOBWLLFOZII-MAUKXSAKSA-N -1 3 397.479 3.653 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@@H]2c2ccccc2)n1C[C@H]1CCCCO1 ZINC001123291801 935146029 /nfs/dbraw/zinc/14/60/29/935146029.db2.gz LZEYHSCCLDGBAS-SJLPKXTDSA-N -1 3 395.463 3.549 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H](C)c3ccc4ccccc4c3)C2)n1 ZINC001123998541 935328321 /nfs/dbraw/zinc/32/83/21/935328321.db2.gz CTQFUSXNEOJNMJ-OXQOHEQNSA-N -1 3 390.487 3.533 20 0 GHADHM C[C@@H]1CC=CC[C@H]1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001124228027 935360111 /nfs/dbraw/zinc/36/01/11/935360111.db2.gz DFLSTQMEMZYBEL-HIFRSBDPSA-N -1 3 383.485 3.662 20 0 GHADHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001137607396 935622713 /nfs/dbraw/zinc/62/27/13/935622713.db2.gz GUVPFRGBUNNUKW-INIZCTEOSA-N -1 3 375.428 3.588 20 0 GHADHM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001137772111 935781598 /nfs/dbraw/zinc/78/15/98/935781598.db2.gz GQTYXKPIUALMIU-UHFFFAOYSA-N -1 3 387.439 3.689 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccn1 ZINC001137996974 935916400 /nfs/dbraw/zinc/91/64/00/935916400.db2.gz NJVYLNLLJSAFGF-OAQYLSRUSA-N -1 3 376.412 3.518 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1csc(NC2CCCCC2)n1 ZINC000830429963 935944472 /nfs/dbraw/zinc/94/44/72/935944472.db2.gz DBJDHZOPKONRKH-GFCCVEGCSA-N -1 3 379.511 3.843 20 0 GHADHM Brc1ccccc1C1(NCc2csc(-c3nnn[n-]3)c2)CCC1 ZINC001573279050 946630735 /nfs/dbraw/zinc/63/07/35/946630735.db2.gz BQZYXBRFJOAEJW-UHFFFAOYSA-N -1 3 390.310 3.860 20 0 GHADHM Brc1cnc(N2CCC[C@@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC001573279129 946632926 /nfs/dbraw/zinc/63/29/26/946632926.db2.gz CXXCSTQOBFRSJL-CQSZACIVSA-N -1 3 377.290 3.573 20 0 GHADHM Brc1cnc(N2CCC[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC001573279129 946632933 /nfs/dbraw/zinc/63/29/33/946632933.db2.gz CXXCSTQOBFRSJL-CQSZACIVSA-N -1 3 377.290 3.573 20 0 GHADHM Brc1ccc(OC[C@@H]2CCCC23CCOCC3)c(-c2nnn[n-]2)c1 ZINC001573279170 946633109 /nfs/dbraw/zinc/63/31/09/946633109.db2.gz DNGIIQGYVSWXCF-LBPRGKRZSA-N -1 3 393.285 3.605 20 0 GHADHM Brc1ccc(OC[C@@H]2CCCC23CCOCC3)c(-c2nn[n-]n2)c1 ZINC001573279170 946633119 /nfs/dbraw/zinc/63/31/19/946633119.db2.gz DNGIIQGYVSWXCF-LBPRGKRZSA-N -1 3 393.285 3.605 20 0 GHADHM Brc1ccccc1CCCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001573279423 946640113 /nfs/dbraw/zinc/64/01/13/946640113.db2.gz ITBJUQIVCIVWFK-UHFFFAOYSA-N -1 3 384.281 3.625 20 0 GHADHM Brc1ccccc1CCCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001573279423 946640119 /nfs/dbraw/zinc/64/01/19/946640119.db2.gz ITBJUQIVCIVWFK-UHFFFAOYSA-N -1 3 384.281 3.625 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC001573553634 946890426 /nfs/dbraw/zinc/89/04/26/946890426.db2.gz YZUMYHCETOXNQZ-CYBMUJFWSA-N -1 3 385.427 3.965 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC001573553634 946890433 /nfs/dbraw/zinc/89/04/33/946890433.db2.gz YZUMYHCETOXNQZ-CYBMUJFWSA-N -1 3 385.427 3.965 20 0 GHADHM C=C/C=C\CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573315548 947255290 /nfs/dbraw/zinc/25/52/90/947255290.db2.gz NFWDCVBROGBTJO-ARJAWSKDSA-N -1 3 377.473 3.880 20 0 GHADHM C=C/C=C\CCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573315548 947255301 /nfs/dbraw/zinc/25/53/01/947255301.db2.gz NFWDCVBROGBTJO-ARJAWSKDSA-N -1 3 377.473 3.880 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001573363366 947711140 /nfs/dbraw/zinc/71/11/40/947711140.db2.gz CFHAZOWWUXSZQQ-CMDGGOBGSA-N -1 3 388.225 3.573 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001573363366 947711152 /nfs/dbraw/zinc/71/11/52/947711152.db2.gz CFHAZOWWUXSZQQ-CMDGGOBGSA-N -1 3 388.225 3.573 20 0 GHADHM CC(=O)CCCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573384771 947909577 /nfs/dbraw/zinc/90/95/77/947909577.db2.gz WNOHGLKZYUTEQO-UHFFFAOYSA-N -1 3 393.447 3.538 20 0 GHADHM CC(=O)CCCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573384771 947909584 /nfs/dbraw/zinc/90/95/84/947909584.db2.gz WNOHGLKZYUTEQO-UHFFFAOYSA-N -1 3 393.447 3.538 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436650879 948518071 /nfs/dbraw/zinc/51/80/71/948518071.db2.gz GATIMDFOMHOOLT-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436650879 948518080 /nfs/dbraw/zinc/51/80/80/948518080.db2.gz GATIMDFOMHOOLT-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(C=Cc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525060325 948538648 /nfs/dbraw/zinc/53/86/48/948538648.db2.gz WAUCUMAMRRRWTC-DAFODLJHSA-N -1 3 378.194 3.965 20 0 GHADHM O=C(C=Cc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525060325 948538651 /nfs/dbraw/zinc/53/86/51/948538651.db2.gz WAUCUMAMRRRWTC-DAFODLJHSA-N -1 3 378.194 3.965 20 0 GHADHM CC(C)[C@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001574079975 948779266 /nfs/dbraw/zinc/77/92/66/948779266.db2.gz MMMOUYUYEQDHLY-MSOLQXFVSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001574079975 948779276 /nfs/dbraw/zinc/77/92/76/948779276.db2.gz MMMOUYUYEQDHLY-MSOLQXFVSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)n1C)c1ccc2c(c1)CCCC2 ZINC001574083034 948874514 /nfs/dbraw/zinc/87/45/14/948874514.db2.gz OGXYDOCVKLYOIL-LJQANCHMSA-N -1 3 379.464 3.638 20 0 GHADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)n1C)c1ccc2c(c1)CCCC2 ZINC001574083034 948874529 /nfs/dbraw/zinc/87/45/29/948874529.db2.gz OGXYDOCVKLYOIL-LJQANCHMSA-N -1 3 379.464 3.638 20 0 GHADHM C[C@@H](CCOCc1ccccc1)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001574693736 949058374 /nfs/dbraw/zinc/05/83/74/949058374.db2.gz IGCLWSNPHQHQNS-ZDUSSCGKSA-N -1 3 380.477 3.884 20 0 GHADHM C[C@@H](CCOCc1ccccc1)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001574693736 949058392 /nfs/dbraw/zinc/05/83/92/949058392.db2.gz IGCLWSNPHQHQNS-ZDUSSCGKSA-N -1 3 380.477 3.884 20 0 GHADHM CC(C)(C(=O)NCC1(c2ccccc2)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573779285 949059610 /nfs/dbraw/zinc/05/96/10/949059610.db2.gz GIYZVJWKUUCHGO-UHFFFAOYSA-N -1 3 389.503 3.773 20 0 GHADHM CC(C)(C(=O)NCC1(c2ccccc2)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573779285 949059634 /nfs/dbraw/zinc/05/96/34/949059634.db2.gz GIYZVJWKUUCHGO-UHFFFAOYSA-N -1 3 389.503 3.773 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574694342 949075179 /nfs/dbraw/zinc/07/51/79/949075179.db2.gz NUJCJCJDJHEGES-VBKZILBWSA-N -1 3 393.466 3.768 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574694342 949075198 /nfs/dbraw/zinc/07/51/98/949075198.db2.gz NUJCJCJDJHEGES-VBKZILBWSA-N -1 3 393.466 3.768 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc2ccccc2c1 ZINC001573782893 949138592 /nfs/dbraw/zinc/13/85/92/949138592.db2.gz MXUXMGXPVQCSEJ-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc2ccccc2c1 ZINC001573782893 949138605 /nfs/dbraw/zinc/13/86/05/949138605.db2.gz MXUXMGXPVQCSEJ-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM CC(C)[C@@H]1N(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC12CCCC2 ZINC001574099693 949181480 /nfs/dbraw/zinc/18/14/80/949181480.db2.gz NMBYVIIIHGWTTD-OALUTQOASA-N -1 3 394.523 3.854 20 0 GHADHM CC(C)[C@@H]1N(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC12CCCC2 ZINC001574099693 949181487 /nfs/dbraw/zinc/18/14/87/949181487.db2.gz NMBYVIIIHGWTTD-OALUTQOASA-N -1 3 394.523 3.854 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)c2-c2nnn[n-]2)C1 ZINC001574100281 949189594 /nfs/dbraw/zinc/18/95/94/949189594.db2.gz TVSMLBXLNYTGMM-FBIMIBRVSA-N -1 3 399.442 3.826 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)c2-c2nn[n-]n2)C1 ZINC001574100281 949189601 /nfs/dbraw/zinc/18/96/01/949189601.db2.gz TVSMLBXLNYTGMM-FBIMIBRVSA-N -1 3 399.442 3.826 20 0 GHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575516247 949201927 /nfs/dbraw/zinc/20/19/27/949201927.db2.gz OBMNARGIAYKHRJ-ACJLOTCBSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575516247 949201940 /nfs/dbraw/zinc/20/19/40/949201940.db2.gz OBMNARGIAYKHRJ-ACJLOTCBSA-N -1 3 380.427 3.806 20 0 GHADHM CC1=C(C)C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(Br)c2)CC1 ZINC001575860453 949305361 /nfs/dbraw/zinc/30/53/61/949305361.db2.gz IQEUXFPCVNJODU-LLVKDONJSA-N -1 3 376.258 3.704 20 0 GHADHM CC1=C(C)C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(Br)c2)CC1 ZINC001575860453 949305386 /nfs/dbraw/zinc/30/53/86/949305386.db2.gz IQEUXFPCVNJODU-LLVKDONJSA-N -1 3 376.258 3.704 20 0 GHADHM C[C@@H](CNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)c1ccccn1 ZINC001574950681 949542852 /nfs/dbraw/zinc/54/28/52/949542852.db2.gz RKIHIOKZNQTRBU-NSHDSACASA-N -1 3 385.497 3.546 20 0 GHADHM C[C@@H](CNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)c1ccccn1 ZINC001574950681 949542873 /nfs/dbraw/zinc/54/28/73/949542873.db2.gz RKIHIOKZNQTRBU-NSHDSACASA-N -1 3 385.497 3.546 20 0 GHADHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001576179758 949921629 /nfs/dbraw/zinc/92/16/29/949921629.db2.gz LRKKOSNQPHNPQL-CCARFGRDSA-N -1 3 387.487 3.800 20 0 GHADHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001576179758 949921643 /nfs/dbraw/zinc/92/16/43/949921643.db2.gz LRKKOSNQPHNPQL-CCARFGRDSA-N -1 3 387.487 3.800 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001574145586 949929021 /nfs/dbraw/zinc/92/90/21/949929021.db2.gz UPSAESIBECMOAR-CQSZACIVSA-N -1 3 389.500 3.824 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001574145586 949929042 /nfs/dbraw/zinc/92/90/42/949929042.db2.gz UPSAESIBECMOAR-CQSZACIVSA-N -1 3 389.500 3.824 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC001576181932 950028119 /nfs/dbraw/zinc/02/81/19/950028119.db2.gz WTGKOVVRSLVOEY-FOIQADDNSA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC001576181932 950028143 /nfs/dbraw/zinc/02/81/43/950028143.db2.gz WTGKOVVRSLVOEY-FOIQADDNSA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)(C)CC[C@@H](Nc1cc(F)ccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001573843360 950173029 /nfs/dbraw/zinc/17/30/29/950173029.db2.gz VTPDPWOFPSPAQK-CQSZACIVSA-N -1 3 377.464 3.954 20 0 GHADHM CC(C)(C)CC[C@@H](Nc1cc(F)ccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001573843360 950173048 /nfs/dbraw/zinc/17/30/48/950173048.db2.gz VTPDPWOFPSPAQK-CQSZACIVSA-N -1 3 377.464 3.954 20 0 GHADHM CC(C)(C)Oc1ccccc1CNC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573876272 950666967 /nfs/dbraw/zinc/66/69/67/950666967.db2.gz IUWJVWWIBVTIHN-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1ccccc1CNC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573876272 950666979 /nfs/dbraw/zinc/66/69/79/950666979.db2.gz IUWJVWWIBVTIHN-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2-c2nnn[n-]2)C1 ZINC001576214401 950670359 /nfs/dbraw/zinc/67/03/59/950670359.db2.gz AAKMMZMYOZICGO-NZVBXONLSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2-c2nn[n-]n2)C1 ZINC001576214401 950670369 /nfs/dbraw/zinc/67/03/69/950670369.db2.gz AAKMMZMYOZICGO-NZVBXONLSA-N -1 3 397.479 3.934 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1cscc1-c1nnn[n-]1 ZINC001575626031 950706550 /nfs/dbraw/zinc/70/65/50/950706550.db2.gz WHDRRMKEFKXUCW-CQSZACIVSA-N -1 3 387.896 3.990 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1cscc1-c1nn[n-]n1 ZINC001575626031 950706562 /nfs/dbraw/zinc/70/65/62/950706562.db2.gz WHDRRMKEFKXUCW-CQSZACIVSA-N -1 3 387.896 3.990 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3csc4ccccc34)c(-c3nnn[n-]3)cc2C1 ZINC001576216442 950737901 /nfs/dbraw/zinc/73/79/01/950737901.db2.gz JIXFFHVFYBADBI-NSHDSACASA-N -1 3 390.472 3.854 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3csc4ccccc34)c(-c3nn[n-]n3)cc2C1 ZINC001576216442 950737916 /nfs/dbraw/zinc/73/79/16/950737916.db2.gz JIXFFHVFYBADBI-NSHDSACASA-N -1 3 390.472 3.854 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)C3Cc4ccccc4C3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576216877 950746376 /nfs/dbraw/zinc/74/63/76/950746376.db2.gz JUPOQOFRLJSCKJ-RYUDHWBXSA-N -1 3 393.516 3.968 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)C3Cc4ccccc4C3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576216877 950746391 /nfs/dbraw/zinc/74/63/91/950746391.db2.gz JUPOQOFRLJSCKJ-RYUDHWBXSA-N -1 3 393.516 3.968 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCCOCCc2ccccc2)n1 ZINC001573881478 950753155 /nfs/dbraw/zinc/75/31/55/950753155.db2.gz FEDKSBUNSJCKMI-UHFFFAOYSA-N -1 3 380.496 3.621 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCCOCCc2ccccc2)n1 ZINC001573881478 950753165 /nfs/dbraw/zinc/75/31/65/950753165.db2.gz FEDKSBUNSJCKMI-UHFFFAOYSA-N -1 3 380.496 3.621 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccc(-c3ncco3)cc2F)n1 ZINC001573881735 950755107 /nfs/dbraw/zinc/75/51/07/950755107.db2.gz GOLXCZTYNNWORP-UHFFFAOYSA-N -1 3 394.410 3.932 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccc(-c3ncco3)cc2F)n1 ZINC001573881735 950755118 /nfs/dbraw/zinc/75/51/18/950755118.db2.gz GOLXCZTYNNWORP-UHFFFAOYSA-N -1 3 394.410 3.932 20 0 GHADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC001575019740 951042992 /nfs/dbraw/zinc/04/29/92/951042992.db2.gz VLBSYYOIRJOYJS-SECBINFHSA-N -1 3 394.237 3.846 20 0 GHADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC001575019740 951043004 /nfs/dbraw/zinc/04/30/04/951043004.db2.gz VLBSYYOIRJOYJS-SECBINFHSA-N -1 3 394.237 3.846 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575187701 952443740 /nfs/dbraw/zinc/44/37/40/952443740.db2.gz DZHRKONMKPYWKF-YWZLYKJASA-N -1 3 395.482 3.568 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575187701 952443743 /nfs/dbraw/zinc/44/37/43/952443743.db2.gz DZHRKONMKPYWKF-YWZLYKJASA-N -1 3 395.482 3.568 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001575189989 952459937 /nfs/dbraw/zinc/45/99/37/952459937.db2.gz QQZRFPYMFQFXQJ-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001575189989 952459940 /nfs/dbraw/zinc/45/99/40/952459940.db2.gz QQZRFPYMFQFXQJ-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191899 952469661 /nfs/dbraw/zinc/46/96/61/952469661.db2.gz ZUMKGRYKSPDTAS-BFUOFWGJSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191899 952469666 /nfs/dbraw/zinc/46/96/66/952469666.db2.gz ZUMKGRYKSPDTAS-BFUOFWGJSA-N -1 3 395.894 3.966 20 0 GHADHM O=C([O-])c1c(F)ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1Cl ZINC001594803657 953760430 /nfs/dbraw/zinc/76/04/30/953760430.db2.gz BJKAQUYTRSDXLV-ZDUSSCGKSA-N -1 3 391.830 3.573 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001526688284 962875440 /nfs/dbraw/zinc/87/54/40/962875440.db2.gz VHCIGOMFXYVLQE-NTKDMRAZSA-N -1 3 394.515 3.724 20 0 GHADHM C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ncc(C(=O)[O-])s1 ZINC000314674839 963788346 /nfs/dbraw/zinc/78/83/46/963788346.db2.gz QIQFQHRKZDVKFT-WCQYABFASA-N -1 3 383.514 3.528 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625911314 1014370508 /nfs/dbraw/zinc/37/05/08/1014370508.db2.gz FLKODWCKVDWMJC-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625911314 1014370518 /nfs/dbraw/zinc/37/05/18/1014370518.db2.gz FLKODWCKVDWMJC-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000833170063 979105311 /nfs/dbraw/zinc/10/53/11/979105311.db2.gz FDHONOPOFYZQQN-YVEFUNNKSA-N -1 3 380.275 3.948 20 0 GHADHM C[C@@](Cc1ccc(F)cc1)(NCc1coc(-c2ccc(F)c(F)c2)n1)C(=O)[O-] ZINC001592853027 979640833 /nfs/dbraw/zinc/64/08/33/979640833.db2.gz AYXHIDFXIJMCGT-FQEVSTJZSA-N -1 3 390.361 3.935 20 0 GHADHM CC[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@@H]1CCCCO1 ZINC001595287023 980365894 /nfs/dbraw/zinc/36/58/94/980365894.db2.gz KYFYVLYKCIXNOQ-KBPBESRZSA-N -1 3 389.279 3.567 20 0 GHADHM CC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595299792 980430843 /nfs/dbraw/zinc/43/08/43/980430843.db2.gz FPUDOGVTRVNYJI-WOJBJXKFSA-N -1 3 382.460 3.743 20 0 GHADHM CC(C)(COCc1ccccc1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001626075825 1014857721 /nfs/dbraw/zinc/85/77/21/1014857721.db2.gz MKPYNQXCUIYINQ-UHFFFAOYSA-N -1 3 386.398 3.532 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001595836834 982744905 /nfs/dbraw/zinc/74/49/05/982744905.db2.gz LIVKKZHWQYDOGD-IBGZPJMESA-N -1 3 388.895 3.780 20 0 GHADHM CCCN(Cc1cc(C(=O)[O-])ccc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595885826 982910159 /nfs/dbraw/zinc/91/01/59/982910159.db2.gz IEPGLCMINOXATF-QGZVFWFLSA-N -1 3 392.496 3.615 20 0 GHADHM CCO[C@H]1C[C@@](NCc2nc(-c3c(F)cccc3F)cs2)(C(=O)[O-])C1(C)C ZINC001596838458 985506869 /nfs/dbraw/zinc/50/68/69/985506869.db2.gz SDSVUAOIERLGGN-IFXJQAMLSA-N -1 3 396.459 3.836 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001594546044 986214916 /nfs/dbraw/zinc/21/49/16/986214916.db2.gz YERQJMHTCAWRCM-MSOLQXFVSA-N -1 3 395.503 3.861 20 0 GHADHM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)cc1OC ZINC001596986905 986256823 /nfs/dbraw/zinc/25/68/23/986256823.db2.gz AQMDBAPVQSRTFY-KRWDZBQOSA-N -1 3 379.840 3.671 20 0 GHADHM CCOc1cc(CN2CCC(OC)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033277 986461573 /nfs/dbraw/zinc/46/15/73/986461573.db2.gz ZJYJLMDPSWDHRU-UHFFFAOYSA-N -1 3 389.448 3.566 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589431701 986731760 /nfs/dbraw/zinc/73/17/60/986731760.db2.gz KWHNOQOLYPSIFY-QWHCGFSZSA-N -1 3 397.313 3.599 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC001589468028 986928385 /nfs/dbraw/zinc/92/83/85/986928385.db2.gz FQSGBHRFPUCOFG-PIGZYNQJSA-N -1 3 388.265 3.877 20 0 GHADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])n1ccc2ccccc2c1=O ZINC000468110003 1015277275 /nfs/dbraw/zinc/27/72/75/1015277275.db2.gz NAAPCTOMRKPMPM-LLVKDONJSA-N -1 3 387.233 3.669 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001589510520 987136541 /nfs/dbraw/zinc/13/65/41/987136541.db2.gz VHPJWLDJTNLUTG-AOMKIAJQSA-N -1 3 381.476 3.661 20 0 GHADHM CC(C)(C)OC(=O)C1(C)CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC001589854496 988388120 /nfs/dbraw/zinc/38/81/20/988388120.db2.gz AQTBQYIUFMGBPN-JXMROGBWSA-N -1 3 389.492 3.607 20 0 GHADHM CCc1cccc(F)c1CN1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001597592620 988420594 /nfs/dbraw/zinc/42/05/94/988420594.db2.gz IVWZAIZDTRYMOX-YSJWXEPDSA-N -1 3 391.483 3.643 20 0 GHADHM CCc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001597611883 988511867 /nfs/dbraw/zinc/51/18/67/988511867.db2.gz SDSHXDXUWHSIIQ-AWEZNQCLSA-N -1 3 381.476 3.727 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001590012069 988966897 /nfs/dbraw/zinc/96/68/97/988966897.db2.gz IUZKYPKAVZGHFH-JKSUJKDBSA-N -1 3 392.496 3.837 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001590012068 988967174 /nfs/dbraw/zinc/96/71/74/988967174.db2.gz IUZKYPKAVZGHFH-HZPDHXFCSA-N -1 3 392.496 3.837 20 0 GHADHM CCc1oc(CN2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597797327 989359939 /nfs/dbraw/zinc/35/99/39/989359939.db2.gz XOJVGRQBTJFHDY-KBPBESRZSA-N -1 3 380.485 3.523 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001590184722 989534330 /nfs/dbraw/zinc/53/43/30/989534330.db2.gz KLQIYLNVADLCLD-CQSZACIVSA-N -1 3 380.460 3.651 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001590303285 989730352 /nfs/dbraw/zinc/73/03/52/989730352.db2.gz IRUBNPMAPUYRBO-LJQANCHMSA-N -1 3 398.459 3.884 20 0 GHADHM CC(C)(C)c1ccc(C2CCN([C@H]3CCCN(CCC(=O)[O-])C3=O)CC2)cc1 ZINC001590479473 990052572 /nfs/dbraw/zinc/05/25/72/990052572.db2.gz BRVJRRAHIGJTRV-FQEVSTJZSA-N -1 3 386.536 3.629 20 0 GHADHM CN(C)C(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001598143900 990606291 /nfs/dbraw/zinc/60/62/91/990606291.db2.gz JQRHDBVCKNPIBL-INIZCTEOSA-N -1 3 395.381 3.714 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000468320380 1015583696 /nfs/dbraw/zinc/58/36/96/1015583696.db2.gz PCGGBIYDELENIT-IBGZPJMESA-N -1 3 386.423 3.610 20 0 GHADHM CC(C)=CCC[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001590921753 990913132 /nfs/dbraw/zinc/91/31/32/990913132.db2.gz JWPDCEMLZYYYOJ-XXBNENTESA-N -1 3 386.536 3.995 20 0 GHADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598229700 990930713 /nfs/dbraw/zinc/93/07/13/990930713.db2.gz UNAPTCSASMFPSD-ZWKOTPCHSA-N -1 3 387.505 3.532 20 0 GHADHM CC(C)[C@H](CNC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001590982496 991152241 /nfs/dbraw/zinc/15/22/41/991152241.db2.gz PAEMWTCLOAOGES-PIPMEXSNSA-N -1 3 382.504 3.594 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000468365574 1015628768 /nfs/dbraw/zinc/62/87/68/1015628768.db2.gz WSHBPWKHFJVBBM-UHFFFAOYSA-N -1 3 376.859 3.856 20 0 GHADHM CC(C)C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001591184683 991989639 /nfs/dbraw/zinc/98/96/39/991989639.db2.gz YHHGASXDPXXKNL-INIZCTEOSA-N -1 3 375.856 3.749 20 0 GHADHM CN(CCCN(C)[C@@H](C(=O)[O-])c1ccccc1Br)Cc1ccco1 ZINC001598479225 992121873 /nfs/dbraw/zinc/12/18/73/992121873.db2.gz VESGWNCDNWHYBC-QGZVFWFLSA-N -1 3 395.297 3.622 20 0 GHADHM CN(Cc1cccc(-n2cccn2)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598524740 992704796 /nfs/dbraw/zinc/70/47/96/992704796.db2.gz SIBJXLFXPGINSM-SFHVURJKSA-N -1 3 375.350 3.547 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cc([O-])cc(F)c1 ZINC000545328571 1015779326 /nfs/dbraw/zinc/77/93/26/1015779326.db2.gz FOQLRVRMYUHCLZ-JOCHJYFZSA-N -1 3 395.478 3.966 20 0 GHADHM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468548432 1015795727 /nfs/dbraw/zinc/79/57/27/1015795727.db2.gz OFIZMRIOQQOCHA-UHFFFAOYSA-N -1 3 399.466 3.582 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC001593118073 993823037 /nfs/dbraw/zinc/82/30/37/993823037.db2.gz ZXCIBCYAONJQEZ-HNAYVOBHSA-N -1 3 383.492 3.862 20 0 GHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001593190874 994128906 /nfs/dbraw/zinc/12/89/06/994128906.db2.gz XYBPNYOQKDABDA-ZMZPIMSZSA-N -1 3 392.377 3.701 20 0 GHADHM COc1cccc([C@@H](C(=O)[O-])N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC001599651116 994501727 /nfs/dbraw/zinc/50/17/27/994501727.db2.gz SLJFMUXHXOGBNA-IBGZPJMESA-N -1 3 389.398 3.694 20 0 GHADHM C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001593295916 994694069 /nfs/dbraw/zinc/69/40/69/994694069.db2.gz HZPJVBJLQZQFEJ-MTTSSROLSA-N -1 3 385.460 3.792 20 0 GHADHM C[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC001593297139 994701162 /nfs/dbraw/zinc/70/11/62/994701162.db2.gz RWODTTQXDXARIF-INIZCTEOSA-N -1 3 378.472 3.780 20 0 GHADHM C[C@@H](Oc1ccccc1CNC[C@H](O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001593644738 995965176 /nfs/dbraw/zinc/96/51/76/995965176.db2.gz CUCLLSDLGDLCKT-BZNIZROVSA-N -1 3 384.259 3.669 20 0 GHADHM C[C@@H]1CC[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000468806168 1016053497 /nfs/dbraw/zinc/05/34/97/1016053497.db2.gz DFFBPZGHCUVSFL-MNOVXSKESA-N -1 3 378.416 3.842 20 0 GHADHM COC(=O)Cc1ccccc1CN[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598872993 996746400 /nfs/dbraw/zinc/74/64/00/996746400.db2.gz FMCIDCMGIUBVHB-IBGZPJMESA-N -1 3 396.270 3.799 20 0 GHADHM CC1(C)CCC[C@@H]1[C@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001593898191 996760198 /nfs/dbraw/zinc/76/01/98/996760198.db2.gz TXDCLYICASJIIB-IMJJTQAJSA-N -1 3 376.522 3.700 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc2[nH]c(-c3ccccc3)nc21 ZINC001154489285 1032137498 /nfs/dbraw/zinc/13/74/98/1032137498.db2.gz DMEVMVKFDILJDW-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM COC[C@H](NCCOc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599177591 996879875 /nfs/dbraw/zinc/87/98/75/996879875.db2.gz QOUZOIPDUKBLPH-INIZCTEOSA-N -1 3 383.366 3.760 20 0 GHADHM COc1ccc([C@H](N[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C2CC2)cc1 ZINC001599527581 997588336 /nfs/dbraw/zinc/58/83/36/997588336.db2.gz JBIPQCKWYHAWCQ-SJKOYZFVSA-N -1 3 388.489 3.831 20 0 GHADHM COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001599527910 997595032 /nfs/dbraw/zinc/59/50/32/997595032.db2.gz LVGRFCLLWYCLHX-WOJBJXKFSA-N -1 3 390.524 3.522 20 0 GHADHM CO[C@@H]1CCC[C@H]([C@H](NCc2csc(CCc3ccccc3)n2)C(=O)[O-])C1 ZINC001599113311 997608972 /nfs/dbraw/zinc/60/89/72/997608972.db2.gz PRVAKWFEHPLRDJ-HQRMLTQVSA-N -1 3 388.533 3.676 20 0 GHADHM CO[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@@H]1C ZINC001599122913 997773654 /nfs/dbraw/zinc/77/36/54/997773654.db2.gz DYIZPWNJTVHAEZ-ZBEGNZNMSA-N -1 3 398.290 3.734 20 0 GHADHM CO[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)C1 ZINC001599123708 997792949 /nfs/dbraw/zinc/79/29/49/997792949.db2.gz NMEYKUHDTUIENZ-FZMZJTMJSA-N -1 3 398.290 3.877 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC001599451055 998100669 /nfs/dbraw/zinc/10/06/69/998100669.db2.gz RUWQKRRVKDSCTE-RTWAWAEBSA-N -1 3 397.471 3.683 20 0 GHADHM CC1=C(C(=O)[O-])C[C@@H](CN2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)O1 ZINC001594100287 998105390 /nfs/dbraw/zinc/10/53/90/998105390.db2.gz NMVHSVQPMFWQOD-AHIWAGSCSA-N -1 3 398.425 3.752 20 0 GHADHM COc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)c(C(F)(F)F)c1 ZINC001599573189 998398941 /nfs/dbraw/zinc/39/89/41/998398941.db2.gz UBAFDRZEJVMKJV-UHFFFAOYSA-N -1 3 382.382 3.840 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](CC(C)C)C2)cc1OC ZINC000468937697 1016246992 /nfs/dbraw/zinc/24/69/92/1016246992.db2.gz LMYHMHJXTZTHNX-OAHLLOKOSA-N -1 3 397.541 3.747 20 0 GHADHM COC(=O)c1cnc([C@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)s1 ZINC001599009137 998882496 /nfs/dbraw/zinc/88/24/96/998882496.db2.gz JQOGLHHSDDTDJW-SWLSCSKDSA-N -1 3 394.880 3.588 20 0 GHADHM Cc1ccc(F)cc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545699250 1016261218 /nfs/dbraw/zinc/26/12/18/1016261218.db2.gz AROCGDKNYSMWGH-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000469024305 1016348218 /nfs/dbraw/zinc/34/82/18/1016348218.db2.gz OEEHHHRQODHDIC-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000469391177 1016563530 /nfs/dbraw/zinc/56/35/30/1016563530.db2.gz OCXZBSMVXKXGII-UHFFFAOYSA-N -1 3 393.462 3.751 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3C[C@H](C)OC[C@@H]3c3ccccc3)c2c1 ZINC001154511728 1032152915 /nfs/dbraw/zinc/15/29/15/1032152915.db2.gz YHNNSHNGNADDJX-IFXJQAMLSA-N -1 3 378.428 3.551 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)c2c1 ZINC001154530727 1032166985 /nfs/dbraw/zinc/16/69/85/1032166985.db2.gz TYIPAPBRGLTYTJ-GJZGRUSLSA-N -1 3 399.491 3.719 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001154593429 1032204004 /nfs/dbraw/zinc/20/40/04/1032204004.db2.gz DNPRFSUWFPCFRW-OKILXGFUSA-N -1 3 392.521 3.728 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797026 1032286823 /nfs/dbraw/zinc/28/68/23/1032286823.db2.gz CAOGWOFSXGYPJA-UHFFFAOYSA-N -1 3 384.436 3.561 20 0 GHADHM O=C(Nc1ccc2nc(OC3CC(=O)C3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001227352276 1032384552 /nfs/dbraw/zinc/38/45/52/1032384552.db2.gz FNDYAFKHLXQJLH-UHFFFAOYSA-N -1 3 387.395 3.784 20 0 GHADHM O=C(Cc1coc2c1ccc(Cl)c2Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC001155063801 1032399152 /nfs/dbraw/zinc/39/91/52/1032399152.db2.gz VXPLWIVXYKZLPN-UHFFFAOYSA-N -1 3 393.152 3.735 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccccc3-c3ccccc3)C2)n1 ZINC001155142514 1032433222 /nfs/dbraw/zinc/43/32/22/1032433222.db2.gz BYTIZNIQJIDAJW-SFHVURJKSA-N -1 3 388.471 3.556 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001155147606 1032435646 /nfs/dbraw/zinc/43/56/46/1032435646.db2.gz CWBLGZLSFHJAOS-GOSISDBHSA-N -1 3 382.508 3.577 20 0 GHADHM O=C(Nc1c[nH]c2nccc(Br)c12)c1nc2nc(Cl)ccc2[n-]1 ZINC001155177512 1032446520 /nfs/dbraw/zinc/44/65/20/1032446520.db2.gz TWBHJOBAVBSZQX-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM O=C(Nc1c[nH]c2nccc(Br)c12)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155177512 1032446524 /nfs/dbraw/zinc/44/65/24/1032446524.db2.gz TWBHJOBAVBSZQX-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227586244 1032473889 /nfs/dbraw/zinc/47/38/89/1032473889.db2.gz KFNZHVGCRZDGBA-NEPJUHHUSA-N -1 3 394.365 3.922 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1nc2cc(OC)ccc2s1 ZINC001155709239 1032653420 /nfs/dbraw/zinc/65/34/20/1032653420.db2.gz XTGFSDGWHVVZIA-UHFFFAOYSA-N -1 3 387.417 3.599 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc2cccnc21 ZINC000567533410 1019306971 /nfs/dbraw/zinc/30/69/71/1019306971.db2.gz DLIFUDQRSIYGRV-UHFFFAOYSA-N -1 3 377.375 3.785 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000568342427 1019395560 /nfs/dbraw/zinc/39/55/60/1019395560.db2.gz GDFDQYNYFKMIRQ-SFHVURJKSA-N -1 3 377.282 3.943 20 0 GHADHM CC(C)(C)[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1O ZINC000574617763 1019893920 /nfs/dbraw/zinc/89/39/20/1019893920.db2.gz ULMAIKBCMYOAJE-UONOGXRCSA-N -1 3 387.505 3.886 20 0 GHADHM O=C([N-]NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1F ZINC000047118299 1019952510 /nfs/dbraw/zinc/95/25/10/1019952510.db2.gz BTWSIWDRAINZAB-LJQANCHMSA-N -1 3 381.382 3.698 20 0 GHADHM COC[C@@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCc2ccccc21 ZINC000629751705 1020764110 /nfs/dbraw/zinc/76/41/10/1020764110.db2.gz PQLXBOOSCNBSBI-QVKFZJNVSA-N -1 3 376.456 3.693 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000650421140 1021186521 /nfs/dbraw/zinc/18/65/21/1021186521.db2.gz JOFOFFHMPMBGMK-UHFFFAOYSA-N -1 3 393.487 3.651 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000834653333 1021345720 /nfs/dbraw/zinc/34/57/20/1021345720.db2.gz BBJUUVKWHDSADW-BPAFIMBUSA-N -1 3 398.528 3.654 20 0 GHADHM COc1cc(CN2CC3(C[C@@H]2C)CCOCC3)c(Br)cc1C(=O)[O-] ZINC000903895751 1021648193 /nfs/dbraw/zinc/64/81/93/1021648193.db2.gz KNJCZPJGPDNZMW-LBPRGKRZSA-N -1 3 398.297 3.547 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001228621878 1033012830 /nfs/dbraw/zinc/01/28/30/1033012830.db2.gz DPEJPKARZLVSSC-INIZCTEOSA-N -1 3 383.419 3.990 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000749183264 1021874514 /nfs/dbraw/zinc/87/45/14/1021874514.db2.gz VHQXCHQTBHPTLH-LBPRGKRZSA-N -1 3 393.509 3.635 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C(=O)c1ccccn1)c1ccccn1 ZINC001228622813 1033012553 /nfs/dbraw/zinc/01/25/53/1033012553.db2.gz LOZLYEIMDODEDX-OAQYLSRUSA-N -1 3 388.379 3.600 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCN(C(=O)OC(C)(C)C)C1 ZINC001140547229 1021948443 /nfs/dbraw/zinc/94/84/43/1021948443.db2.gz CSGJQWXFMZGFQF-CYBMUJFWSA-N -1 3 399.329 3.844 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3cccc([O-])c3Br)C2)C1 ZINC001140547745 1021949012 /nfs/dbraw/zinc/94/90/12/1021949012.db2.gz LYAKNCQLICIUSL-UHFFFAOYSA-N -1 3 397.313 3.598 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc([O-])c3Br)C[C@@H]21 ZINC001140549666 1021950786 /nfs/dbraw/zinc/95/07/86/1021950786.db2.gz LRYMULUZMQPIGD-JSGCOSHPSA-N -1 3 397.313 3.596 20 0 GHADHM CC(=O)c1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)cc1 ZINC001140551123 1021952706 /nfs/dbraw/zinc/95/27/06/1021952706.db2.gz VFOBTACFLGIFJP-UHFFFAOYSA-N -1 3 389.293 3.680 20 0 GHADHM CCOC[C@@H]1CN(Cc2cccc([O-])c2Br)Cc2cn(CC)nc21 ZINC001140551252 1021953071 /nfs/dbraw/zinc/95/30/71/1021953071.db2.gz RJPVYMNBIFBUGL-HNNXBMFYSA-N -1 3 394.313 3.507 20 0 GHADHM CCC1(NC(=O)OC(C)(C)C)CN(Cc2cccc([O-])c2Br)C1 ZINC001140552440 1021955017 /nfs/dbraw/zinc/95/50/17/1021955017.db2.gz GAGGGYOLMHKLOS-UHFFFAOYSA-N -1 3 385.302 3.644 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC000680444513 1022166541 /nfs/dbraw/zinc/16/65/41/1022166541.db2.gz MJMGVQGLYPCEHK-SFHVURJKSA-N -1 3 395.390 3.667 20 0 GHADHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000681966512 1022342371 /nfs/dbraw/zinc/34/23/71/1022342371.db2.gz OATOUDBWUPOESA-UHFFFAOYSA-N -1 3 385.917 3.786 20 0 GHADHM COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cc(OC)c1[O-] ZINC000754271514 1022574265 /nfs/dbraw/zinc/57/42/65/1022574265.db2.gz JPBUKOZMZWECCW-UHFFFAOYSA-N -1 3 378.331 3.511 20 0 GHADHM [O-]c1c(Cl)cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1Cl ZINC001140831291 1022651214 /nfs/dbraw/zinc/65/12/14/1022651214.db2.gz NLNVFDCPQVHBAG-ZWKOTPCHSA-N -1 3 378.303 3.943 20 0 GHADHM CCCCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccc(OC)cc1 ZINC000754458539 1022719537 /nfs/dbraw/zinc/71/95/37/1022719537.db2.gz SPYHVWQUNXEXFE-UHFFFAOYSA-N -1 3 385.493 3.850 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)o1 ZINC001140946089 1022953275 /nfs/dbraw/zinc/95/32/75/1022953275.db2.gz RGIUFVSFQPLKKX-UHFFFAOYSA-N -1 3 394.471 3.658 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(F)ccc1SCC(F)F ZINC000836416805 1022956224 /nfs/dbraw/zinc/95/62/24/1022956224.db2.gz HIVTWMOWFJEBEX-UHFFFAOYSA-N -1 3 380.388 3.578 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000836416805 1022956230 /nfs/dbraw/zinc/95/62/30/1022956230.db2.gz HIVTWMOWFJEBEX-UHFFFAOYSA-N -1 3 380.388 3.578 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)o1 ZINC001140947159 1022956843 /nfs/dbraw/zinc/95/68/43/1022956843.db2.gz XUGZATNCGXFZKC-HXUWFJFHSA-N -1 3 394.471 3.554 20 0 GHADHM CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140990285 1023102557 /nfs/dbraw/zinc/10/25/57/1023102557.db2.gz SKUUSSNHBXWVNL-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM [O-]c1c(F)cc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1F ZINC001140994429 1023117955 /nfs/dbraw/zinc/11/79/55/1023117955.db2.gz YMJAVKDUZGAIPI-LJQANCHMSA-N -1 3 395.400 3.803 20 0 GHADHM CCCc1c(NC([O-])=NOC(C)(C)C(=O)OCC)cnn1-c1ccc(C)cc1 ZINC000836562925 1023122856 /nfs/dbraw/zinc/12/28/56/1023122856.db2.gz ORYOWZNPZTVSKK-UHFFFAOYSA-N -1 3 388.468 3.528 20 0 GHADHM CCCc1c(NC(=O)[N-]OC(C)(C)C(=O)OCC)cnn1-c1ccc(C)cc1 ZINC000836562925 1023122864 /nfs/dbraw/zinc/12/28/64/1023122864.db2.gz ORYOWZNPZTVSKK-UHFFFAOYSA-N -1 3 388.468 3.528 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000836874179 1023424986 /nfs/dbraw/zinc/42/49/86/1023424986.db2.gz KGUXATSHCVDULE-UHFFFAOYSA-N -1 3 394.487 3.760 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)[C@@H](O)c1c(F)cccc1F ZINC000756007150 1023475828 /nfs/dbraw/zinc/47/58/28/1023475828.db2.gz HCHDUUBFLAJCAD-NVXWUHKLSA-N -1 3 385.357 3.694 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228856914 1033138787 /nfs/dbraw/zinc/13/87/87/1033138787.db2.gz HLNYDYVDJMNYOI-UGSOOPFHSA-N -1 3 375.465 3.936 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228856905 1033139591 /nfs/dbraw/zinc/13/95/91/1033139591.db2.gz HLNYDYVDJMNYOI-ACJLOTCBSA-N -1 3 375.465 3.936 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228857677 1033139654 /nfs/dbraw/zinc/13/96/54/1033139654.db2.gz NGRDTUSZWNVFHN-YOEHRIQHSA-N -1 3 379.428 3.638 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228858545 1033141694 /nfs/dbraw/zinc/14/16/94/1033141694.db2.gz SNVKGCGXUQAPPT-FZKQIMNGSA-N -1 3 375.465 3.936 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000837123016 1024083572 /nfs/dbraw/zinc/08/35/72/1024083572.db2.gz KXVYUCOJDYLMGD-HZPDHXFCSA-N -1 3 394.487 3.664 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000830697325 1024085483 /nfs/dbraw/zinc/08/54/83/1024085483.db2.gz IAQUVKFIFNTCCO-HNAYVOBHSA-N -1 3 375.465 3.982 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc([O-])c(F)c3F)C[C@@H]21 ZINC001204953049 1033182181 /nfs/dbraw/zinc/18/21/81/1033182181.db2.gz SKEREXGVBCBAKM-AEGPPILISA-N -1 3 382.451 3.796 20 0 GHADHM CSc1cc(C)c(C(=O)Nc2ccc(I)cc2[O-])o1 ZINC001138176917 1024307206 /nfs/dbraw/zinc/30/72/06/1024307206.db2.gz YYIOLMHBZFXSDI-UHFFFAOYSA-N -1 3 389.214 3.872 20 0 GHADHM O=C([O-])Cn1cc(CN2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c2ccccc21 ZINC001138196191 1024344507 /nfs/dbraw/zinc/34/45/07/1024344507.db2.gz WQPVYPHKWMPIAR-IYBDPMFKSA-N -1 3 398.466 3.756 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)cc(Br)c2)c(=O)[n-]1 ZINC000837429377 1024450953 /nfs/dbraw/zinc/45/09/53/1024450953.db2.gz PWWHNAMCWNUHCM-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1csc(Cc2ccccc2F)n1 ZINC000837534359 1024532089 /nfs/dbraw/zinc/53/20/89/1024532089.db2.gz REIFTKILJRBHKS-UHFFFAOYSA-N -1 3 385.420 3.603 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C)Sc3ccccc32)c([O-])c1 ZINC001141334529 1024602438 /nfs/dbraw/zinc/60/24/38/1024602438.db2.gz PRERPEVXWWTESI-HNNXBMFYSA-N -1 3 384.501 3.738 20 0 GHADHM O=C(CCc1nnc(C2CCCC2)o1)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837685596 1024632007 /nfs/dbraw/zinc/63/20/07/1024632007.db2.gz BHYWFCHMJYISNQ-UHFFFAOYSA-N -1 3 394.431 3.566 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000837786598 1024710435 /nfs/dbraw/zinc/71/04/35/1024710435.db2.gz RNEHNWORKZYZLI-SFHVURJKSA-N -1 3 381.806 3.910 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC[C@@H](Oc4ncccn4)C3)cc2)c1 ZINC001141361083 1024711854 /nfs/dbraw/zinc/71/18/54/1024711854.db2.gz UMXICHUQRJIDER-OAQYLSRUSA-N -1 3 389.455 3.885 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)cc(Cl)c1[O-] ZINC001205101853 1033251742 /nfs/dbraw/zinc/25/17/42/1033251742.db2.gz XVYSTKYASJWSCK-UHFFFAOYSA-N -1 3 382.932 3.913 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC001138835755 1025448278 /nfs/dbraw/zinc/44/82/78/1025448278.db2.gz RSGDSCCZCGYRHE-FQEVSTJZSA-N -1 3 380.488 3.544 20 0 GHADHM CCc1cc2c(CN[C@H](C(=O)OC)c3ccc(C)c(C)c3)cc(=O)oc2cc1[O-] ZINC000839144806 1025639043 /nfs/dbraw/zinc/63/90/43/1025639043.db2.gz OSMWHVNHWAZKLC-QFIPXVFZSA-N -1 3 395.455 3.682 20 0 GHADHM O=C(Cc1cscc1C(=O)NOC1CCCCC1)[N-]OC1CCCCC1 ZINC000832547641 1025692397 /nfs/dbraw/zinc/69/23/97/1025692397.db2.gz JTJJBAFSUAVOBI-UHFFFAOYSA-N -1 3 380.510 3.665 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001162457516 1025753103 /nfs/dbraw/zinc/75/31/03/1025753103.db2.gz ITEFWHKMALDBES-UHFFFAOYSA-N -1 3 399.299 3.784 20 0 GHADHM Cc1sc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1Br ZINC001162885664 1025954095 /nfs/dbraw/zinc/95/40/95/1025954095.db2.gz YLMVZVPMMLQJII-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM Cc1sc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1Br ZINC001162885664 1025954104 /nfs/dbraw/zinc/95/41/04/1025954104.db2.gz YLMVZVPMMLQJII-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC001141651632 1026075365 /nfs/dbraw/zinc/07/53/65/1026075365.db2.gz NYRTYCWPFHQFHH-OKILXGFUSA-N -1 3 376.453 3.617 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)nc1 ZINC001139247994 1026096613 /nfs/dbraw/zinc/09/66/13/1026096613.db2.gz VHIIPWALWIPBBK-SFHVURJKSA-N -1 3 397.475 3.890 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)nc1 ZINC001139247994 1026096636 /nfs/dbraw/zinc/09/66/36/1026096636.db2.gz VHIIPWALWIPBBK-SFHVURJKSA-N -1 3 397.475 3.890 20 0 GHADHM O=C(NCc1cc2n(n1)CCCC2)c1cc(CCc2ccccc2)ccc1[O-] ZINC001163929118 1026363060 /nfs/dbraw/zinc/36/30/60/1026363060.db2.gz GUFDGSZTVAVSRO-UHFFFAOYSA-N -1 3 375.472 3.640 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]12CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000839948477 1026367993 /nfs/dbraw/zinc/36/79/93/1026367993.db2.gz XWYXAOHTMISIOM-LJQANCHMSA-N -1 3 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Cc1nccn1CC(=O)c1cccc(-c2noc(-c3cc([O-])cnc3Cl)n2)c1 ZINC001213697623 1028337114 /nfs/dbraw/zinc/33/71/14/1028337114.db2.gz ASKFFIHCNUVKJC-UHFFFAOYSA-N -1 3 395.806 3.545 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(Cl)c(OC)cc1F ZINC001214071643 1028534723 /nfs/dbraw/zinc/53/47/23/1028534723.db2.gz JQJWHOKMOSSJRZ-UHFFFAOYSA-N -1 3 383.832 3.849 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1N1CCc2ccccc21 ZINC001214512714 1028767948 /nfs/dbraw/zinc/76/79/48/1028767948.db2.gz DBKWEHVYJJKSOO-UHFFFAOYSA-N -1 3 383.448 3.776 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001214512714 1028767967 /nfs/dbraw/zinc/76/79/67/1028767967.db2.gz DBKWEHVYJJKSOO-UHFFFAOYSA-N -1 3 383.448 3.776 20 0 GHADHM Cc1cc(C)cc(C[C@H](NCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])c1 ZINC000841799354 1028944997 /nfs/dbraw/zinc/94/49/97/1028944997.db2.gz TVLFUKMUIKXTCN-FQEVSTJZSA-N -1 3 397.906 3.987 20 0 GHADHM CC(C)N(CCc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001142469599 1028974828 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COc1ccc2ncc([O-])c(-c3nc(-c4ccccc4-n4ccnc4)no3)c2c1 ZINC001217500171 1030442456 /nfs/dbraw/zinc/44/24/56/1030442456.db2.gz UISDIXUYGRTDRQ-UHFFFAOYSA-N -1 3 385.383 3.852 20 0 GHADHM COc1ccc(OC)c(-c2noc(-c3c([O-])cnc4ccc(OC)cc43)n2)c1 ZINC001217500276 1030444031 /nfs/dbraw/zinc/44/40/31/1030444031.db2.gz XQHAAYYKWXXWLG-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cc(OC)cc(OC)c4)no3)c2c1 ZINC001217500288 1030444073 /nfs/dbraw/zinc/44/40/73/1030444073.db2.gz XYRSCNZVNNQLKM-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001150528998 1030556505 /nfs/dbraw/zinc/55/65/05/1030556505.db2.gz UOQWEZFXCFXORF-UHFFFAOYSA-N -1 3 383.275 3.609 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(C)c(OC)c(C)c2)no1 ZINC001217636212 1030560618 /nfs/dbraw/zinc/56/06/18/1030560618.db2.gz AJDMUKSKISTVHX-UHFFFAOYSA-N -1 3 378.388 3.692 20 0 GHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nnc(-c2cccc(Cl)c2)o1 ZINC001217751737 1030642727 /nfs/dbraw/zinc/64/27/27/1030642727.db2.gz MLCDKQQJUZCTGA-INIZCTEOSA-N -1 3 397.818 3.835 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2ccco2)c1 ZINC001151111771 1030774984 /nfs/dbraw/zinc/77/49/84/1030774984.db2.gz QZLQHKWBJDQIPT-GOSISDBHSA-N -1 3 395.415 3.757 20 0 GHADHM C[C@@H](CO[N-]C(=O)/C=C\Sc1cc(F)ccc1F)NC(=O)OC(C)(C)C ZINC001151184017 1030796352 /nfs/dbraw/zinc/79/63/52/1030796352.db2.gz BSGDQOBRXRIMAH-TVRMLOFPSA-N -1 3 388.436 3.532 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc(-c2ccccc2O)no1 ZINC001151366985 1030880753 /nfs/dbraw/zinc/88/07/53/1030880753.db2.gz RSBDZGVYHYMUFD-UHFFFAOYSA-N -1 3 391.383 3.958 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(Cn2ccnc2)cc1 ZINC001151372234 1030883524 /nfs/dbraw/zinc/88/35/24/1030883524.db2.gz GTXBRXTVPLQRHA-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc3c(ncnc3Cl)[nH]2)c([O-])c1 ZINC001151563270 1030942575 /nfs/dbraw/zinc/94/25/75/1030942575.db2.gz HIUBNLFJUJXXHF-UHFFFAOYSA-N -1 3 388.811 3.525 20 0 GHADHM O=C1N(CCC(F)(F)F)CC[C@@]12CCN(Cc1cc(F)c([O-])c(Cl)c1)C2 ZINC001276998850 1031131190 /nfs/dbraw/zinc/13/11/90/1031131190.db2.gz WLMDBIOHDIALLO-MRXNPFEDSA-N -1 3 394.796 3.562 20 0 GHADHM N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001219310800 1031351083 /nfs/dbraw/zinc/35/10/83/1031351083.db2.gz OAZVUGLBXWZJQE-LBPRGKRZSA-N -1 3 392.299 3.938 20 0 GHADHM Cc1cn2c(n1)[C@@H](Oc1cc(C)cc([O-])c1I)CCC2 ZINC001225512168 1031449088 /nfs/dbraw/zinc/44/90/88/1031449088.db2.gz YWQPFWRBHGETEN-LBPRGKRZSA-N -1 3 384.217 3.724 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)[C@@H](F)C1 ZINC001225853896 1031653291 /nfs/dbraw/zinc/65/32/91/1031653291.db2.gz SPGUMGANTFZMTQ-DTWKUNHWSA-N -1 3 397.394 3.510 20 0 GHADHM COCc1cc(O[C@@H]2CCOc3ccc(Br)cc32)[n-]c(=S)n1 ZINC001225933033 1031701865 /nfs/dbraw/zinc/70/18/65/1031701865.db2.gz OHZQGZFIXDBBJD-CYBMUJFWSA-N -1 3 383.267 3.577 20 0 GHADHM COC(=O)[C@@H](Oc1cc(C(C)=O)ccc1[O-])c1cccc(Br)c1 ZINC001225994555 1031734471 /nfs/dbraw/zinc/73/44/71/1031734471.db2.gz NARMMYKKDSTHSX-INIZCTEOSA-N -1 3 379.206 3.650 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1)c1cnc2cccnc2c1[O-] ZINC001153862247 1031777976 /nfs/dbraw/zinc/77/79/76/1031777976.db2.gz RJBNDAMAFVJUMH-NQIIRXRSSA-N -1 3 397.434 3.582 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226117441 1031795657 /nfs/dbraw/zinc/79/56/57/1031795657.db2.gz NEBAXKCGIJROCC-KBPBESRZSA-N -1 3 383.489 3.759 20 0 GHADHM CC(C)(Oc1[n-]c(=S)ncc1C1CC1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001226120757 1031799146 /nfs/dbraw/zinc/79/91/46/1031799146.db2.gz TVWXZJJCUJCFNP-QGZVFWFLSA-N -1 3 396.468 3.910 20 0 GHADHM CCCC[C@@](CC)(NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1)C(=O)OCC ZINC001153909281 1031805701 /nfs/dbraw/zinc/80/57/01/1031805701.db2.gz UQLOOZWICSGPQT-HXUWFJFHSA-N -1 3 392.883 3.813 20 0 GHADHM COc1ccc(Br)nc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154022711 1031880392 /nfs/dbraw/zinc/88/03/92/1031880392.db2.gz BLCRTWRTTAMPMV-UHFFFAOYSA-N -1 3 389.205 3.669 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCC(COc2cccnc2)CC1 ZINC001154023663 1031880773 /nfs/dbraw/zinc/88/07/73/1031880773.db2.gz BDDOZRWQVUNNSF-UHFFFAOYSA-N -1 3 378.428 3.577 20 0 GHADHM O=C(Nc1ccccc1CN1CCCC1=O)c1c([O-])cc2ccccc2c1O ZINC001154028082 1031886325 /nfs/dbraw/zinc/88/63/25/1031886325.db2.gz PXGQEWNIEXHAIB-UHFFFAOYSA-N -1 3 376.412 3.626 20 0 GHADHM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CC)cc1[O-] ZINC001154036920 1031893058 /nfs/dbraw/zinc/89/30/58/1031893058.db2.gz DMMMIKHCMNXMRV-MRXNPFEDSA-N -1 3 376.497 3.816 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(-c4cccc(O)c4)cc3)[n-]nc21 ZINC001154147489 1031952549 /nfs/dbraw/zinc/95/25/49/1031952549.db2.gz UTTOWUMQAPZODW-UHFFFAOYSA-N -1 3 387.395 3.974 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(-c4cccc(O)c4)cc3)n[n-]c21 ZINC001154147489 1031952554 /nfs/dbraw/zinc/95/25/54/1031952554.db2.gz UTTOWUMQAPZODW-UHFFFAOYSA-N -1 3 387.395 3.974 20 0 GHADHM COc1cc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c(C)cc1Br ZINC001154209419 1031986390 /nfs/dbraw/zinc/98/63/90/1031986390.db2.gz ADIIHOJUCFJGIS-UHFFFAOYSA-N -1 3 376.210 3.600 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)cc12 ZINC001226538579 1032002913 /nfs/dbraw/zinc/00/29/13/1032002913.db2.gz UEOHVPHFAOAUBA-XIKOKIGWSA-N -1 3 389.448 3.831 20 0 GHADHM CC1(CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC001229461761 1033495518 /nfs/dbraw/zinc/49/55/18/1033495518.db2.gz XVMFDQVXJFTQKN-ZDUSSCGKSA-N -1 3 383.414 3.559 20 0 GHADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@H]3CC[C@H](N4CCOCC4)CC3)c2)cc1 ZINC001229536269 1033546213 /nfs/dbraw/zinc/54/62/13/1033546213.db2.gz AVHNJPMTQRTWDF-MEMLXQNLSA-N -1 3 395.499 3.954 20 0 GHADHM CN1C(=O)CCc2cc(Nc3ncc(Br)cc3[O-])cc(Cl)c21 ZINC001205888460 1033622198 /nfs/dbraw/zinc/62/21/98/1033622198.db2.gz MONAEUYGOLCHAE-UHFFFAOYSA-N -1 3 382.645 3.856 20 0 GHADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001157848828 1033793254 /nfs/dbraw/zinc/79/32/54/1033793254.db2.gz DWWYEYWQDPKUQW-NWDGAFQWSA-N -1 3 377.282 3.941 20 0 GHADHM CC(C)Oc1ccc(COc2ccccc2-c2nnn[n-]2)cc1Br ZINC001229951336 1033812908 /nfs/dbraw/zinc/81/29/08/1033812908.db2.gz RAVGYAFPEAKDEE-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM CC(C)Oc1ccc(COc2ccccc2-c2nn[n-]n2)cc1Br ZINC001229951336 1033812917 /nfs/dbraw/zinc/81/29/17/1033812917.db2.gz RAVGYAFPEAKDEE-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM C[C@@H](COCC1CCCCC1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001230418661 1034043362 /nfs/dbraw/zinc/04/33/62/1034043362.db2.gz PLUYQLSUWMTJHW-ZDUSSCGKSA-N -1 3 399.329 3.939 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)nc2Cl)cc1 ZINC000326183922 1034235792 /nfs/dbraw/zinc/23/57/92/1034235792.db2.gz KITFIJMARFVANO-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)c4ccc(F)cc34)nc21 ZINC001158873657 1034314267 /nfs/dbraw/zinc/31/42/67/1034314267.db2.gz SEVPTBSHUMTSLI-UHFFFAOYSA-N -1 3 380.379 3.623 20 0 GHADHM c1ccc(C(c2ccccc2)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001231072858 1034378020 /nfs/dbraw/zinc/37/80/20/1034378020.db2.gz HMDCOLIRCAMEMG-UHFFFAOYSA-N -1 3 383.455 3.719 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1CCCN(c2ccccc2)C1 ZINC001231090039 1034391869 /nfs/dbraw/zinc/39/18/69/1034391869.db2.gz COSKBUJQFCCXEI-AWEZNQCLSA-N -1 3 376.840 3.665 20 0 GHADHM CC(C)C[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)NC(=O)OC(C)(C)C ZINC001159062949 1034408381 /nfs/dbraw/zinc/40/83/81/1034408381.db2.gz BQPVZXGZRKDLSS-LBPRGKRZSA-N -1 3 376.457 3.537 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231459519 1034602316 /nfs/dbraw/zinc/60/23/16/1034602316.db2.gz CFDANQVXSJRXJC-UXHICEINSA-N -1 3 385.435 3.835 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC001231463487 1034607809 /nfs/dbraw/zinc/60/78/09/1034607809.db2.gz DYWCFWDPCQUJAN-GOSISDBHSA-N -1 3 393.459 3.579 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001159550961 1034659338 /nfs/dbraw/zinc/65/93/38/1034659338.db2.gz BSAYOBAFRPOMNS-NSHDSACASA-N -1 3 375.222 3.528 20 0 GHADHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc([O-])c(C(F)(F)F)c3)O2)n1 ZINC001231522889 1034673246 /nfs/dbraw/zinc/67/32/46/1034673246.db2.gz LFLPQVKWTUKXKP-FVQBIDKESA-N -1 3 383.370 3.597 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C[C@H](F)C1 ZINC001231522375 1034673835 /nfs/dbraw/zinc/67/38/35/1034673835.db2.gz GDSVEMSUNXHLHV-ZDUSSCGKSA-N -1 3 392.393 3.802 20 0 GHADHM O=C1Cc2ccccc2N1C1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231525027 1034677461 /nfs/dbraw/zinc/67/74/61/1034677461.db2.gz RUANBAZJCGUVOT-UHFFFAOYSA-N -1 3 390.405 3.965 20 0 GHADHM O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231527910 1034679912 /nfs/dbraw/zinc/67/99/12/1034679912.db2.gz VLMFMMYIGSPHJY-CYBMUJFWSA-N -1 3 394.368 3.780 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1)C1CC1 ZINC001159830370 1034755836 /nfs/dbraw/zinc/75/58/36/1034755836.db2.gz FROZZSUNGIMJEI-UHFFFAOYSA-N -1 3 397.381 3.574 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)c1c(Cl)ccc(I)c1F ZINC001159862598 1034767148 /nfs/dbraw/zinc/76/71/48/1034767148.db2.gz YNRBYDOPWLALDA-ZETCQYMHSA-N -1 3 385.604 3.791 20 0 GHADHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001277548534 1034822181 /nfs/dbraw/zinc/82/21/81/1034822181.db2.gz QMRJPXFCBPRNOI-DAXOMENPSA-N -1 3 381.314 3.519 20 0 GHADHM Cc1ccc([O-])c(CN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC001231676785 1034827141 /nfs/dbraw/zinc/82/71/41/1034827141.db2.gz IRJFQDVXGABNAC-SFHVURJKSA-N -1 3 383.492 3.547 20 0 GHADHM COC[C@H]1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])Cc2cn(C)nc21 ZINC001231676625 1034827940 /nfs/dbraw/zinc/82/79/40/1034827940.db2.gz KPVTUZDVTNDBDF-GOSISDBHSA-N -1 3 391.471 3.531 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(OC(F)F)cc1 ZINC001208285238 1034846476 /nfs/dbraw/zinc/84/64/76/1034846476.db2.gz JRXGXDZZIMGGLT-MRVPVSSYSA-N -1 3 396.209 3.683 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N1CCC(C)CC1 ZINC001208337690 1034863088 /nfs/dbraw/zinc/86/30/88/1034863088.db2.gz OTZKURZWZYHUSA-OAHLLOKOSA-N -1 3 394.915 3.653 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 ZINC001208531441 1034926397 /nfs/dbraw/zinc/92/63/97/1034926397.db2.gz VHTVEVUMWAEPCO-BZQUYTCOSA-N -1 3 396.534 3.526 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001160948518 1035102111 /nfs/dbraw/zinc/10/21/11/1035102111.db2.gz LVANFMFXIRZQRN-UHFFFAOYSA-N -1 3 388.258 3.768 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001160948518 1035102117 /nfs/dbraw/zinc/10/21/17/1035102117.db2.gz LVANFMFXIRZQRN-UHFFFAOYSA-N -1 3 388.258 3.768 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001161356779 1035215215 /nfs/dbraw/zinc/21/52/15/1035215215.db2.gz CHGCKWWDKQRTBF-QUCCMNQESA-N -1 3 380.488 3.615 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001161553388 1035257056 /nfs/dbraw/zinc/25/70/56/1035257056.db2.gz KQQHCIRUXSIMDQ-IRXDYDNUSA-N -1 3 385.464 3.886 20 0 GHADHM CN1CCN(c2nc3ccccc3nc2-c2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001242131473 1035824185 /nfs/dbraw/zinc/82/41/85/1035824185.db2.gz KUTXOPLUFOFXHJ-UHFFFAOYSA-N -1 3 388.393 3.773 20 0 GHADHM CON(C)C(=O)[C@@H]1CCc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc2O1 ZINC001242169041 1035843956 /nfs/dbraw/zinc/84/39/56/1035843956.db2.gz ZUVPQAUNFDTNON-KRWDZBQOSA-N -1 3 381.350 3.791 20 0 GHADHM CCOC(=O)C(C(=O)OCC)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242168653 1035844321 /nfs/dbraw/zinc/84/43/21/1035844321.db2.gz SWMVYTCRKVGJRH-UHFFFAOYSA-N -1 3 397.349 3.683 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242367482 1035895239 /nfs/dbraw/zinc/89/52/39/1035895239.db2.gz NFKMCSZPKMQXCS-KRWDZBQOSA-N -1 3 386.835 3.904 20 0 GHADHM O=C(NCc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1)c1ccccc1[O-] ZINC001248499299 1035916333 /nfs/dbraw/zinc/91/63/33/1035916333.db2.gz AGHJJNJGLGCASX-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)cc1 ZINC001242908795 1035990793 /nfs/dbraw/zinc/99/07/93/1035990793.db2.gz GFDZEUBBBKKQSE-UHFFFAOYSA-N -1 3 391.456 3.643 20 0 GHADHM Cc1ccc(S(=O)(=O)n2ccc3nc(-c4cc(C)c(F)c([O-])c4)cnc32)cc1 ZINC001244515279 1036527149 /nfs/dbraw/zinc/52/71/49/1036527149.db2.gz IPBHRWMQQMXUPV-UHFFFAOYSA-N -1 3 397.431 3.797 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001245163224 1036790287 /nfs/dbraw/zinc/79/02/87/1036790287.db2.gz BQKTXNPMIUPPLJ-UHFFFAOYSA-N -1 3 380.448 3.548 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001245163224 1036790302 /nfs/dbraw/zinc/79/03/02/1036790302.db2.gz BQKTXNPMIUPPLJ-UHFFFAOYSA-N -1 3 380.448 3.548 20 0 GHADHM Fc1ccccc1COc1ccc(F)c(-c2cncc(-c3nnn[n-]3)c2)c1F ZINC001245167450 1036797552 /nfs/dbraw/zinc/79/75/52/1036797552.db2.gz MNUQQWVHJCGRGF-UHFFFAOYSA-N -1 3 383.333 3.925 20 0 GHADHM Fc1ccccc1COc1ccc(F)c(-c2cncc(-c3nn[n-]n3)c2)c1F ZINC001245167450 1036797564 /nfs/dbraw/zinc/79/75/64/1036797564.db2.gz MNUQQWVHJCGRGF-UHFFFAOYSA-N -1 3 383.333 3.925 20 0 GHADHM COc1cc(-c2noc(C3CC(=O)C=C([O-])C3)n2)ccc1OCc1ccccc1 ZINC001247547283 1038243026 /nfs/dbraw/zinc/24/30/26/1038243026.db2.gz TZSCSUJPCXRRQI-UHFFFAOYSA-N -1 3 392.411 3.730 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)c1F ZINC001233051990 1038807859 /nfs/dbraw/zinc/80/78/59/1038807859.db2.gz DHTGALRRSMTQNU-IBGZPJMESA-N -1 3 395.400 3.803 20 0 GHADHM COC[C@@H]1CN(Cc2c(F)ccc([O-])c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233393587 1039225346 /nfs/dbraw/zinc/22/53/46/1039225346.db2.gz CBIURCDLTMIHMT-INIZCTEOSA-N -1 3 391.462 3.803 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233395185 1039230469 /nfs/dbraw/zinc/23/04/69/1039230469.db2.gz OTCWBLDHZOHDNK-HNNXBMFYSA-N -1 3 378.463 3.579 20 0 GHADHM O=C1C[C@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)CN1c1ccc(F)c(F)c1 ZINC001233394988 1039231186 /nfs/dbraw/zinc/23/11/86/1039231186.db2.gz IEOVWKOJXYYVLG-FQEVSTJZSA-N -1 3 394.368 3.578 20 0 GHADHM COc1ccc(CN2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398760 1039236383 /nfs/dbraw/zinc/23/63/83/1039236383.db2.gz XWFCFQXKWNSQNJ-ZIAGYGMSSA-N -1 3 382.888 3.638 20 0 GHADHM COc1ccc(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398758 1039236443 /nfs/dbraw/zinc/23/64/43/1039236443.db2.gz XWFCFQXKWNSQNJ-KGLIPLIRSA-N -1 3 382.888 3.638 20 0 GHADHM COc1ccc(CN2CCC(NC(=O)c3ccccc3F)CC2)c(Cl)c1[O-] ZINC001233401696 1039242914 /nfs/dbraw/zinc/24/29/14/1039242914.db2.gz KLELYPIWVMJRNU-UHFFFAOYSA-N -1 3 392.858 3.588 20 0 GHADHM COc1ccc(CN2CC[C@H](N3Cc4ccccc4NC3=O)C2)c(Cl)c1[O-] ZINC001233401606 1039243349 /nfs/dbraw/zinc/24/33/49/1039243349.db2.gz HKPGSRURJLOMHE-HNNXBMFYSA-N -1 3 387.867 3.676 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)OC(C)(C)C ZINC001233591538 1039463906 /nfs/dbraw/zinc/46/39/06/1039463906.db2.gz GYSQUOVJIOSZTH-JLJPHGGASA-N -1 3 383.872 3.900 20 0 GHADHM O=c1ccoc2cc([O-])cc(O[C@H]3[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)c12 ZINC001233834657 1039654379 /nfs/dbraw/zinc/65/43/79/1039654379.db2.gz QFPVKKHHYIHMKW-DTVZVWBHSA-N -1 3 377.440 3.788 20 0 GHADHM CN1CCC[C@@H](Oc2cc3c(=O)c(-c4ccc(O)cc4)coc3cc2[O-])CC1 ZINC001234137028 1039878668 /nfs/dbraw/zinc/87/86/68/1039878668.db2.gz RYPXQQBOKUYYHT-MRXNPFEDSA-N -1 3 381.428 3.734 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](C)C(=O)N3C)c1C ZINC001254166727 1040019743 /nfs/dbraw/zinc/01/97/43/1040019743.db2.gz JWJPNKYQCWBAEP-CQSZACIVSA-N -1 3 386.517 3.876 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(O)cc3[O-])c2)cc1 ZINC001254383031 1040203499 /nfs/dbraw/zinc/20/34/99/1040203499.db2.gz PRUQWKXRAJRJER-UHFFFAOYSA-N -1 3 376.412 3.589 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234687774 1040219645 /nfs/dbraw/zinc/21/96/45/1040219645.db2.gz BFFQZNRYFSVHEJ-GDBMZVCRSA-N -1 3 385.464 3.874 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3nc[n-]c(=O)c3-c3ccccc3)[C@H]2C1 ZINC001234690218 1040222091 /nfs/dbraw/zinc/22/20/91/1040222091.db2.gz ARAPMDDYZSGETR-ULQDDVLXSA-N -1 3 397.475 3.874 20 0 GHADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234693594 1040225274 /nfs/dbraw/zinc/22/52/74/1040225274.db2.gz ZPTMQURRIKTZGX-XLIONFOSSA-N -1 3 391.471 3.518 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(O[C@H]3COC[C@@H]3C)c-2o1 ZINC001234734754 1040261316 /nfs/dbraw/zinc/26/13/16/1040261316.db2.gz VLFZEZBTJXMQEL-BUXKBTBVSA-N -1 3 398.411 3.597 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCOC[C@@H]1F)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234763750 1040292260 /nfs/dbraw/zinc/29/22/60/1040292260.db2.gz XUOWDRGORWPTML-JQFCIGGWSA-N -1 3 388.391 3.613 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1F ZINC001254960001 1040691432 /nfs/dbraw/zinc/69/14/32/1040691432.db2.gz ZZFOMOVORAYBIR-UHFFFAOYSA-N -1 3 393.770 3.653 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001255352873 1040957832 /nfs/dbraw/zinc/95/78/32/1040957832.db2.gz SLFPUXYOWKYIKG-UHFFFAOYSA-N -1 3 390.553 3.553 20 0 GHADHM Cc1cncc(COCc2cnc3n2CCN(Cc2ccc(F)c([O-])c2)[C@@H]3C)c1 ZINC001236704734 1041842854 /nfs/dbraw/zinc/84/28/54/1041842854.db2.gz ALWIGBYVCAVMKH-MRXNPFEDSA-N -1 3 396.466 3.725 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)s1 ZINC001237162004 1042072728 /nfs/dbraw/zinc/07/27/28/1042072728.db2.gz SHIZOTPDZQRAAJ-AWEZNQCLSA-N -1 3 393.896 3.660 20 0 GHADHM [O-]c1cc(F)cc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1 ZINC001237281554 1042121946 /nfs/dbraw/zinc/12/19/46/1042121946.db2.gz URCUSRODPWDINU-SFHVURJKSA-N -1 3 385.483 3.664 20 0 GHADHM [O-]c1c(Cl)nc(Cl)cc1CN1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237521968 1042248526 /nfs/dbraw/zinc/24/85/26/1042248526.db2.gz GILDPXUYVVBEIS-WCQYABFASA-N -1 3 399.347 3.647 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(OCC3CC3)cc(C(F)(F)F)c2)cc1 ZINC001237918377 1042422523 /nfs/dbraw/zinc/42/25/23/1042422523.db2.gz WVGIPEUOIMLHJC-UHFFFAOYSA-N -1 3 386.395 3.877 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c(Br)c2)cc1Cl ZINC001237993275 1042448455 /nfs/dbraw/zinc/44/84/55/1042448455.db2.gz DXPFRWPCUYAAHR-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM [O-]c1cc(F)c(CN2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)cc1Cl ZINC001238146246 1042503329 /nfs/dbraw/zinc/50/33/29/1042503329.db2.gz GBLHKJCTPVONJI-DOTOQJQBSA-N -1 3 376.859 3.522 20 0 GHADHM [O-]c1cc(F)c(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001238146648 1042503990 /nfs/dbraw/zinc/50/39/90/1042503990.db2.gz JJTKTMVROOSOLG-NVXWUHKLSA-N -1 3 394.849 3.661 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238245231 1042530355 /nfs/dbraw/zinc/53/03/55/1042530355.db2.gz PBZZXJSDUCZWDX-KRWDZBQOSA-N -1 3 392.471 3.793 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238245232 1042530811 /nfs/dbraw/zinc/53/08/11/1042530811.db2.gz PBZZXJSDUCZWDX-QGZVFWFLSA-N -1 3 392.471 3.793 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(OCc4ccccc4)c(OC)c3)ccc2[n-]1 ZINC001240473235 1042933847 /nfs/dbraw/zinc/93/38/47/1042933847.db2.gz DPGLLHMZTNBREV-UHFFFAOYSA-N -1 3 389.411 3.999 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OCc4ccccc4)c(OC)c3)nc2[n-]1 ZINC001240473235 1042933849 /nfs/dbraw/zinc/93/38/49/1042933849.db2.gz DPGLLHMZTNBREV-UHFFFAOYSA-N -1 3 389.411 3.999 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OCc4ccccc4)c(OC)c3)[n-]c-2n1 ZINC001240473235 1042933851 /nfs/dbraw/zinc/93/38/51/1042933851.db2.gz DPGLLHMZTNBREV-UHFFFAOYSA-N -1 3 389.411 3.999 20 0 GHADHM Cc1cc2c(ncnc2-c2ccc(C)cc2[O-])n1S(=O)(=O)c1ccccc1 ZINC001241028933 1042970481 /nfs/dbraw/zinc/97/04/81/1042970481.db2.gz ZFJBSTBMFZBLPF-UHFFFAOYSA-N -1 3 379.441 3.658 20 0 GHADHM COc1nsc(OC)c1C(=O)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC001291716389 1043416602 /nfs/dbraw/zinc/41/66/02/1043416602.db2.gz BNTVWRYWRSKURI-UHFFFAOYSA-N -1 3 379.438 3.599 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C(F)(F)F)cc1 ZINC001256534254 1043470823 /nfs/dbraw/zinc/47/08/23/1043470823.db2.gz YKOBGBPTOMDCJS-UHFFFAOYSA-N -1 3 383.800 3.582 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc([O-])cc(Br)c1 ZINC001291826110 1043489819 /nfs/dbraw/zinc/48/98/19/1043489819.db2.gz SAPOCSONERYYPJ-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC001257288450 1043958468 /nfs/dbraw/zinc/95/84/68/1043958468.db2.gz GSXGTFUKSMIEPI-LBPRGKRZSA-N -1 3 380.680 3.659 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(F)c1)C1CC1)c1cccc(Cl)c1Cl ZINC001257300342 1043960529 /nfs/dbraw/zinc/96/05/29/1043960529.db2.gz HRRLXNUWILQKKR-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)c1nnc(-c2cc3c(s2)CCCCC3)o1 ZINC001257886180 1044243456 /nfs/dbraw/zinc/24/34/56/1044243456.db2.gz KRUVIZPINIYHMD-CQSZACIVSA-N -1 3 383.539 3.703 20 0 GHADHM C[C@H](CC(C)(C)SCc1ccco1)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001258294334 1044496370 /nfs/dbraw/zinc/49/63/70/1044496370.db2.gz IPLYUPKPBDUHDF-SECBINFHSA-N -1 3 380.495 3.640 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1F ZINC001258487283 1044578759 /nfs/dbraw/zinc/57/87/59/1044578759.db2.gz YBFASZDJOFWADP-HNNXBMFYSA-N -1 3 385.892 3.731 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC001462838069 1070586133 /nfs/dbraw/zinc/58/61/33/1070586133.db2.gz PLODYEYOHMNOHQ-KRWDZBQOSA-N -1 3 397.443 3.817 20 0 GHADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294426979 1044620833 /nfs/dbraw/zinc/62/08/33/1044620833.db2.gz IGQFUXSSVCZMCC-NXEZZACHSA-N -1 3 388.336 3.905 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CCc2ccc(OCc3ccccc3)cc2)s1 ZINC001462842618 1070590078 /nfs/dbraw/zinc/59/00/78/1070590078.db2.gz PSFJPYCIYXEJFE-UHFFFAOYSA-N -1 3 388.514 3.552 20 0 GHADHM CC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC001258927513 1044883831 /nfs/dbraw/zinc/88/38/31/1044883831.db2.gz GFDJFGNBLGIIOU-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1nc(Cl)ccc1Cl)C(=O)C2 ZINC001258968131 1044911262 /nfs/dbraw/zinc/91/12/62/1044911262.db2.gz YHYDQEMPOZIAHN-VFZGTOFNSA-N -1 3 377.293 3.526 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC001259050226 1044936029 /nfs/dbraw/zinc/93/60/29/1044936029.db2.gz SQEBUEOPPYSXMW-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(Cl)s1 ZINC001259130259 1044973803 /nfs/dbraw/zinc/97/38/03/1044973803.db2.gz HECPTTHUDUTZNV-UHFFFAOYSA-N -1 3 380.274 3.951 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2cnc(Br)c(Cl)c2)cc1 ZINC001259259574 1045050341 /nfs/dbraw/zinc/05/03/41/1045050341.db2.gz SXIKVYAIXZFIMP-UHFFFAOYSA-N -1 3 375.675 3.748 20 0 GHADHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311975 1045071687 /nfs/dbraw/zinc/07/16/87/1045071687.db2.gz ZRCHKJHZVHIFLB-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2F)cc1 ZINC001259325267 1045078967 /nfs/dbraw/zinc/07/89/67/1045078967.db2.gz SHHOLZNNHMZVLI-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCC2)c([O-])c1 ZINC001295837409 1045161495 /nfs/dbraw/zinc/16/14/95/1045161495.db2.gz XVMNWWPOUDPWFR-UHFFFAOYSA-N -1 3 391.464 3.800 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCC1)c1cccc(Cl)c1F ZINC001259471947 1045184264 /nfs/dbraw/zinc/18/42/64/1045184264.db2.gz AMPPYBATHSKRIW-UHFFFAOYSA-N -1 3 382.888 3.948 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1F ZINC001259490334 1045199421 /nfs/dbraw/zinc/19/94/21/1045199421.db2.gz KSJPEIRELUMOPH-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(Cl)c1)C1CC1)c1ccc(Cl)cc1F ZINC001259513259 1045215227 /nfs/dbraw/zinc/21/52/27/1045215227.db2.gz AVUFTJZTVYBRRN-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-]CCc1cc(Br)cs1)c1ccc(Cl)cc1F ZINC001259514992 1045216565 /nfs/dbraw/zinc/21/65/65/1045216565.db2.gz AQHRARRHQOMZGX-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C)c1)c1ccc2ccccc2c1 ZINC001259527913 1045224444 /nfs/dbraw/zinc/22/44/44/1045224444.db2.gz MXXVRUGLPFCEJJ-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1)N1CCCCC1 ZINC001259543525 1045226497 /nfs/dbraw/zinc/22/64/97/1045226497.db2.gz TXYJMTAOAGERNL-UHFFFAOYSA-N -1 3 395.431 3.783 20 0 GHADHM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1cc(Br)c(F)cc1[O-] ZINC001296039068 1045229639 /nfs/dbraw/zinc/22/96/39/1045229639.db2.gz PSJAZTIORMUKCE-UHFFFAOYSA-N -1 3 394.196 3.788 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)c([O-])c1 ZINC001296113711 1045255406 /nfs/dbraw/zinc/25/54/06/1045255406.db2.gz OTYBRTOWMQDVQX-KSFYIVLOSA-N -1 3 380.488 3.650 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3cc(-c4cccc(Cl)c4)ncn3)C2)n1 ZINC001307208998 1045271776 /nfs/dbraw/zinc/27/17/76/1045271776.db2.gz QQMGPETYHJGHHP-INIZCTEOSA-N -1 3 396.882 3.682 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2c(F)cccc2OC2CCOCC2)c1 ZINC001259749705 1045285839 /nfs/dbraw/zinc/28/58/39/1045285839.db2.gz MOZXYVFJDFICGB-UHFFFAOYSA-N -1 3 379.453 3.634 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259861545 1045322113 /nfs/dbraw/zinc/32/21/13/1045322113.db2.gz RIHHUTRAUCDQHV-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1ccc2cc(Br)cnc2c1 ZINC001259865477 1045324418 /nfs/dbraw/zinc/32/44/18/1045324418.db2.gz FHRQBEOVZCDGIF-UHFFFAOYSA-N -1 3 383.189 3.691 20 0 GHADHM Cc1ccc(I)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001296567271 1045337155 /nfs/dbraw/zinc/33/71/55/1045337155.db2.gz DIMKVXPTVFCIBT-UHFFFAOYSA-N -1 3 385.176 3.626 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)[nH]c(=O)c3)s2)cs1 ZINC001259978308 1045338043 /nfs/dbraw/zinc/33/80/43/1045338043.db2.gz FITYAWUTBIPGJE-UHFFFAOYSA-N -1 3 387.895 3.735 20 0 GHADHM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001296822545 1045383270 /nfs/dbraw/zinc/38/32/70/1045383270.db2.gz GMMKODKLZKKIEZ-OAHLLOKOSA-N -1 3 384.476 3.626 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)ccc1C ZINC001260146011 1045395945 /nfs/dbraw/zinc/39/59/45/1045395945.db2.gz IBCUSEZZHKDHAJ-UHFFFAOYSA-N -1 3 397.456 3.942 20 0 GHADHM O=S(=O)([N-]Cc1cnccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001260308049 1045452436 /nfs/dbraw/zinc/45/24/36/1045452436.db2.gz YQDGPNUXTCBPJX-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COc1cc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C2CC2)ccn1 ZINC001260474414 1045509988 /nfs/dbraw/zinc/50/99/88/1045509988.db2.gz KLHBQKOCNGCOCP-CYBMUJFWSA-N -1 3 393.317 3.888 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-]c1nc(Cl)ccc1Br ZINC001260622817 1045575722 /nfs/dbraw/zinc/57/57/22/1045575722.db2.gz UGBNQWYHUUILLX-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(F)(F)F)cc1F ZINC001260663434 1045599422 /nfs/dbraw/zinc/59/94/22/1045599422.db2.gz IYDAYXXXEVSRKG-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(O)c3)on2)c(F)cc1C ZINC001297774775 1045619594 /nfs/dbraw/zinc/61/95/94/1045619594.db2.gz IHTQPPWXVCXQBU-UHFFFAOYSA-N -1 3 384.363 3.924 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)ccc1F ZINC001260754673 1045638666 /nfs/dbraw/zinc/63/86/66/1045638666.db2.gz IJQAWOZTVINMNS-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(O)ccc1Br ZINC001260771106 1045651145 /nfs/dbraw/zinc/65/11/45/1045651145.db2.gz XPHPTDSVSWVZDF-UHFFFAOYSA-N -1 3 386.267 3.581 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c(Cl)c1 ZINC001260772156 1045652604 /nfs/dbraw/zinc/65/26/04/1045652604.db2.gz RAIPKVKPSBGTOO-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC001260810762 1045677635 /nfs/dbraw/zinc/67/76/35/1045677635.db2.gz QMZGNDOUYIFMBU-UHFFFAOYSA-N -1 3 387.505 3.826 20 0 GHADHM O=c1cc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n(C2CCCC2)[n-]1 ZINC001260818820 1045686410 /nfs/dbraw/zinc/68/64/10/1045686410.db2.gz YCYFPQMUIKXMHO-UHFFFAOYSA-N -1 3 390.292 3.953 20 0 GHADHM COc1cc(OC)c(C[C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1 ZINC001298070055 1045693803 /nfs/dbraw/zinc/69/38/03/1045693803.db2.gz RGXHPHDGWMPOIH-AWEZNQCLSA-N -1 3 387.476 3.902 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC001298072602 1045695982 /nfs/dbraw/zinc/69/59/82/1045695982.db2.gz LAGMJCDOKXIBMT-CQSZACIVSA-N -1 3 382.204 3.779 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Cl)c1ccc(Br)c(F)c1 ZINC001260855134 1045716673 /nfs/dbraw/zinc/71/66/73/1045716673.db2.gz LXCDOIPWXGOOAA-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1C ZINC001260903539 1045761691 /nfs/dbraw/zinc/76/16/91/1045761691.db2.gz VPZAWOBNXDAKDW-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C)c1ccc2ccccc2c1 ZINC001261002047 1045818341 /nfs/dbraw/zinc/81/83/41/1045818341.db2.gz GHKHWHTVXFAWJC-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC001261012832 1045833635 /nfs/dbraw/zinc/83/36/35/1045833635.db2.gz YBXRCYZETRNQJU-IINYFYTJSA-N -1 3 395.324 3.957 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC001261012585 1045833968 /nfs/dbraw/zinc/83/39/68/1045833968.db2.gz ZOKYMVILJFVBIX-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CCOc1ccccc1OCC(=O)Nc1c([O-])ccc(Br)c1C ZINC001298513127 1045844751 /nfs/dbraw/zinc/84/47/51/1045844751.db2.gz GRQOIBKCQKEKAY-UHFFFAOYSA-N -1 3 380.238 3.879 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC001261044265 1045863047 /nfs/dbraw/zinc/86/30/47/1045863047.db2.gz TVVKLEXJRDFVRK-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC001261051430 1045873688 /nfs/dbraw/zinc/87/36/88/1045873688.db2.gz RHVVJEAJMJFLPP-UHFFFAOYSA-N -1 3 395.889 3.820 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2Cc2ccccc2)s1 ZINC001463022684 1070737103 /nfs/dbraw/zinc/73/71/03/1070737103.db2.gz CGYRXLICLLJJDF-CVEARBPZSA-N -1 3 393.530 3.615 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001263007747 1046494867 /nfs/dbraw/zinc/49/48/67/1046494867.db2.gz AARBFKOYYRSAOL-CABCVRRESA-N -1 3 392.956 3.632 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cnn(-c3ccc(Cl)cc3)c1C(C)C)C2 ZINC001301716202 1046672705 /nfs/dbraw/zinc/67/27/05/1046672705.db2.gz PCAZWTDPSLKAJA-UHFFFAOYSA-N -1 3 397.866 3.609 20 0 GHADHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001463119877 1070815323 /nfs/dbraw/zinc/81/53/23/1070815323.db2.gz HIKPOYAAMCALOB-SECBINFHSA-N -1 3 383.739 3.991 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[N-]OCCCC(F)(F)F ZINC001302859850 1047150566 /nfs/dbraw/zinc/15/05/66/1047150566.db2.gz SSNZBKAKSDNQPW-QWHCGFSZSA-N -1 3 382.423 3.850 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cc(C)cnc2Cl)cc1 ZINC001463188543 1070895235 /nfs/dbraw/zinc/89/52/35/1070895235.db2.gz XCCRXOSHVMKDMF-AEFFLSMTSA-N -1 3 394.924 3.798 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3)ns2)nc1 ZINC001264620734 1047391132 /nfs/dbraw/zinc/39/11/32/1047391132.db2.gz USAAXGGJWFOMOL-UHFFFAOYSA-N -1 3 382.445 3.808 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)nn1 ZINC001264812566 1047460168 /nfs/dbraw/zinc/46/01/68/1047460168.db2.gz YEGNCYVCKLJFSR-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC[C@@H]3C[C@H]3C3CC3)cs2)c1 ZINC001303638767 1047462012 /nfs/dbraw/zinc/46/20/12/1047462012.db2.gz PSPZTPWXRRPJCM-ZBFHGGJFSA-N -1 3 399.516 3.504 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC001463214371 1070915751 /nfs/dbraw/zinc/91/57/51/1070915751.db2.gz OJEQNUUNJLTOEY-AAEUAGOBSA-N -1 3 393.734 3.745 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1cccc(Br)c1F ZINC001463216394 1070917331 /nfs/dbraw/zinc/91/73/31/1070917331.db2.gz SMHRLHMLWUPGAP-YPMHNXCESA-N -1 3 376.291 3.835 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)cccc2OCC2CC2)[n-]n1 ZINC001304106294 1047588543 /nfs/dbraw/zinc/58/85/43/1047588543.db2.gz HOMIARZATDXXGW-UHFFFAOYSA-N -1 3 377.828 3.669 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)cccc2OCC2CC2)n[n-]1 ZINC001304106294 1047588547 /nfs/dbraw/zinc/58/85/47/1047588547.db2.gz HOMIARZATDXXGW-UHFFFAOYSA-N -1 3 377.828 3.669 20 0 GHADHM COC(=O)c1cc(NC(=O)c2sc(C3CCCC3)nc2C)c([O-])c(OC)c1 ZINC001304505173 1047695227 /nfs/dbraw/zinc/69/52/27/1047695227.db2.gz LHMVNXZQXJVJKX-UHFFFAOYSA-N -1 3 390.461 3.862 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1cccc(F)c1 ZINC001463249697 1070939626 /nfs/dbraw/zinc/93/96/26/1070939626.db2.gz GFAITLZQPLDZRQ-ZDUSSCGKSA-N -1 3 375.824 3.754 20 0 GHADHM [O-]c1cc(CN2CCCC3(CN(Cc4ccc[nH]4)C3)C2)ccc1Br ZINC001279652840 1047896132 /nfs/dbraw/zinc/89/61/32/1047896132.db2.gz UQPYZWVBMJRPDF-UHFFFAOYSA-N -1 3 390.325 3.581 20 0 GHADHM O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2C[C@@H](C1)N2Cc1occc1[S-] ZINC001279692870 1047918035 /nfs/dbraw/zinc/91/80/35/1047918035.db2.gz OWCONLUNVDZXJH-OKILXGFUSA-N -1 3 387.892 3.802 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc4c(c3)CCOC4)n[n-]2)cc1 ZINC001305446621 1048059483 /nfs/dbraw/zinc/05/94/83/1048059483.db2.gz PMUPNKKFLGUNPW-UHFFFAOYSA-N -1 3 380.473 3.730 20 0 GHADHM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001305730558 1048233040 /nfs/dbraw/zinc/23/30/40/1048233040.db2.gz OBKPEUYQVFMBCG-LBPRGKRZSA-N -1 3 390.505 3.653 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001305960528 1048338010 /nfs/dbraw/zinc/33/80/10/1048338010.db2.gz IYLJLDXWTOCZRB-OPAMFIHVSA-N -1 3 388.508 3.858 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001306339106 1048578881 /nfs/dbraw/zinc/57/88/81/1048578881.db2.gz LXQXTPVCCUZXNE-SECBINFHSA-N -1 3 378.325 3.918 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c2ncccc12 ZINC001306828857 1048918148 /nfs/dbraw/zinc/91/81/48/1048918148.db2.gz AOLMKMHOKRNANP-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001306838100 1048921902 /nfs/dbraw/zinc/92/19/02/1048921902.db2.gz CBMLQADLLZNMML-ZDUSSCGKSA-N -1 3 389.721 3.658 20 0 GHADHM CCc1cc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)nc(C)n1 ZINC001307189594 1049127426 /nfs/dbraw/zinc/12/74/26/1049127426.db2.gz HNVRSMVCVUQBHY-ZDUSSCGKSA-N -1 3 378.398 3.651 20 0 GHADHM Cn1ncc2c1nc(SCc1ccc(Cl)c(Br)c1)[n-]c2=O ZINC001307372551 1049229740 /nfs/dbraw/zinc/22/97/40/1049229740.db2.gz VLTSVWOLHQBAOF-UHFFFAOYSA-N -1 3 385.674 3.777 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC001307751767 1049566220 /nfs/dbraw/zinc/56/62/20/1049566220.db2.gz VCWNSIMSJRDCBA-LJQANCHMSA-N -1 3 391.471 3.901 20 0 GHADHM CCc1ccc(CN2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)cc1 ZINC001308038078 1049787636 /nfs/dbraw/zinc/78/76/36/1049787636.db2.gz OVJYFLZRASDXLA-UHFFFAOYSA-N -1 3 388.515 3.729 20 0 GHADHM O=C(C/C=C\c1ccc(Br)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001290405053 1049829222 /nfs/dbraw/zinc/82/92/22/1049829222.db2.gz MIJBNABHHQISPZ-IWQZZHSRSA-N -1 3 384.237 3.671 20 0 GHADHM O=C(C/C=C\c1ccc(Br)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001290405053 1049829231 /nfs/dbraw/zinc/82/92/31/1049829231.db2.gz MIJBNABHHQISPZ-IWQZZHSRSA-N -1 3 384.237 3.671 20 0 GHADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2)n1 ZINC001290526659 1049872026 /nfs/dbraw/zinc/87/20/26/1049872026.db2.gz HVDGHHRPAQBJBF-UHFFFAOYSA-N -1 3 395.440 3.931 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC001290621530 1049888456 /nfs/dbraw/zinc/88/84/56/1049888456.db2.gz AGZSYUVUFMLJGD-VOTSOKGWSA-N -1 3 390.408 3.790 20 0 GHADHM CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)c1C ZINC001290635957 1049890788 /nfs/dbraw/zinc/89/07/88/1049890788.db2.gz FHKXPCUCJZTIEF-UHFFFAOYSA-N -1 3 393.443 3.932 20 0 GHADHM [O-]c1cccc(CNCc2ccc(-n3ccnc3)c(F)c2)c1Br ZINC001308221611 1049918108 /nfs/dbraw/zinc/91/81/08/1049918108.db2.gz MFTKUXGBGWGXRA-UHFFFAOYSA-N -1 3 376.229 3.769 20 0 GHADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)c1C ZINC001308993164 1050253258 /nfs/dbraw/zinc/25/32/58/1050253258.db2.gz QGCZBFJQJNXRBN-UHFFFAOYSA-N -1 3 392.260 3.883 20 0 GHADHM 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391.464 3.667 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1 ZINC001309552797 1050805312 /nfs/dbraw/zinc/80/53/12/1050805312.db2.gz ZPRJZYIWQCHWPW-CQSZACIVSA-N -1 3 392.427 3.577 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001329880741 1050916233 /nfs/dbraw/zinc/91/62/33/1050916233.db2.gz RULVINJOSJKCMK-UHFFFAOYSA-N -1 3 390.365 3.880 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc(-c4ccccc4)s3)cc2n(C)c1=O ZINC001330057565 1050948119 /nfs/dbraw/zinc/94/81/19/1050948119.db2.gz JSCGRWXZYBSBQK-UHFFFAOYSA-N -1 3 379.441 3.563 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCN1Cc1ccccc1)c1ccc(C(F)F)o1 ZINC001309774645 1050967029 /nfs/dbraw/zinc/96/70/29/1050967029.db2.gz GDPSJALGBXTJCF-OAHLLOKOSA-N -1 3 384.448 3.550 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC(=O)CC2CCCCC2)s1 ZINC001309802875 1050980553 /nfs/dbraw/zinc/98/05/53/1050980553.db2.gz ZARIOESTGJIGGZ-UHFFFAOYSA-N -1 3 394.356 3.637 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC(F)(F)C1 ZINC001309813466 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Cc1nc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001344633129 1054618343 /nfs/dbraw/zinc/61/83/43/1054618343.db2.gz KKZSTVJLPZFFPT-AWEZNQCLSA-N -1 3 398.536 3.731 20 0 GHADHM O=C([N-]C[C@H]1CCC[C@@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC001345110064 1054906340 /nfs/dbraw/zinc/90/63/40/1054906340.db2.gz YCDABYMTCVQCNA-WCBMZHEXSA-N -1 3 386.748 3.513 20 0 GHADHM Cc1cc(-c2csc(NC(=O)CCc3c(C)nc[n-]c3=O)n2)c(F)cc1F ZINC001319016690 1054992558 /nfs/dbraw/zinc/99/25/58/1054992558.db2.gz SOTPYAHUAQFKBD-UHFFFAOYSA-N -1 3 390.415 3.772 20 0 GHADHM CC[C@H]1c2ccccc2CN1c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCCCO1 ZINC001345545041 1055094659 /nfs/dbraw/zinc/09/46/59/1055094659.db2.gz CBPYFSRFHDOOQZ-YJBOKZPZSA-N -1 3 395.463 3.679 20 0 GHADHM CC(C)Sc1ccccc1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319205942 1055095755 /nfs/dbraw/zinc/09/57/55/1055095755.db2.gz OCJUGEGURMCVNR-UHFFFAOYSA-N -1 3 396.509 3.628 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001319888301 1055524017 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C[C@@H]1CC[C@](C)(/C=C\C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1(C)C ZINC001325628020 1057347660 /nfs/dbraw/zinc/34/76/60/1057347660.db2.gz QDNXAPHHLMASTO-NQOLIQJVSA-N -1 3 396.528 3.832 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CC1(Cl)Cl ZINC001326515359 1057502524 /nfs/dbraw/zinc/50/25/24/1057502524.db2.gz GGTCXSIKZJLYIJ-VIFPVBQESA-N -1 3 397.633 3.616 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3ncccc3c2)c(Cl)c1 ZINC001356522181 1057537141 /nfs/dbraw/zinc/53/71/41/1057537141.db2.gz DGPCLNOZGSMUTG-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)ncc3Cl)nc21 ZINC001439996099 1058379820 /nfs/dbraw/zinc/37/98/20/1058379820.db2.gz IMNCNOIXGCERCL-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC001338279259 1058492399 /nfs/dbraw/zinc/49/23/99/1058492399.db2.gz ZSCJCMVACXJHGV-UHFFFAOYSA-N -1 3 390.399 3.661 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001440514586 1058528345 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O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(Br)c(F)cc1F ZINC001339028625 1058929967 /nfs/dbraw/zinc/92/99/67/1058929967.db2.gz KGYVZXFJFYKKOG-UHFFFAOYSA-N -1 3 397.204 3.893 20 0 GHADHM COc1ccc(CC[C@@H](C)NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001442507581 1058970399 /nfs/dbraw/zinc/97/03/99/1058970399.db2.gz MJHDRFQMCAAATJ-GFCCVEGCSA-N -1 3 386.398 3.566 20 0 GHADHM CO[C@@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001444752694 1059375572 /nfs/dbraw/zinc/37/55/72/1059375572.db2.gz MQRCHAZRIXIJOU-KRWDZBQOSA-N -1 3 392.789 3.577 20 0 GHADHM Cc1ccc2[nH]c(CNC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)nc2c1 ZINC001445125063 1059464976 /nfs/dbraw/zinc/46/49/76/1059464976.db2.gz OZRDDGHHYVRWRR-UHFFFAOYSA-N -1 3 387.465 3.605 20 0 GHADHM Cc1ccc2nc(CNC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC001445125063 1059464983 /nfs/dbraw/zinc/46/49/83/1059464983.db2.gz OZRDDGHHYVRWRR-UHFFFAOYSA-N -1 3 387.465 3.605 20 0 GHADHM CC(C)(C)Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001445645538 1059585778 /nfs/dbraw/zinc/58/57/78/1059585778.db2.gz KOZXNPCNWXENNE-UHFFFAOYSA-N -1 3 380.488 3.579 20 0 GHADHM CCOc1ccc(Br)c(C(=O)NCc2ccc([O-])c(F)c2)c1F ZINC001445881347 1059644682 /nfs/dbraw/zinc/64/46/82/1059644682.db2.gz PCWKAEOBBUGXCU-UHFFFAOYSA-N -1 3 386.192 3.762 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)c([O-])c1 ZINC001446146120 1059713280 /nfs/dbraw/zinc/71/32/80/1059713280.db2.gz YAMSKIQDFQLTLF-UHFFFAOYSA-N -1 3 379.412 3.912 20 0 GHADHM COc1ccc([C@H](NC(=O)c2ccc(OC)cc2[O-])c2ccccc2OC)cc1 ZINC001446512887 1059786618 /nfs/dbraw/zinc/78/66/18/1059786618.db2.gz CPEJHCVUHSZPLT-QFIPXVFZSA-N -1 3 393.439 3.937 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)cc1[O-] ZINC001447467958 1059968947 /nfs/dbraw/zinc/96/89/47/1059968947.db2.gz XJMHWJQXAKTGID-UHFFFAOYSA-N -1 3 392.224 3.695 20 0 GHADHM CC1(C)CC[C@@H](CC(=O)Nc2ccc(I)cc2[O-])OC1 ZINC001447623599 1059989892 /nfs/dbraw/zinc/98/98/92/1059989892.db2.gz BXCTZTIJTFQNNW-NSHDSACASA-N -1 3 389.233 3.531 20 0 GHADHM CC1(C)CO[C@@H](CCC(=O)Nc2ccc(I)cc2[O-])C1 ZINC001447624710 1059990044 /nfs/dbraw/zinc/99/00/44/1059990044.db2.gz GYQNDSMYEZMJPC-NSHDSACASA-N -1 3 389.233 3.531 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001340890749 1060227046 /nfs/dbraw/zinc/22/70/46/1060227046.db2.gz LDCPICYSKMWLPT-MRXNPFEDSA-N -1 3 384.871 3.764 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001450230441 1060557537 /nfs/dbraw/zinc/55/75/37/1060557537.db2.gz XMQLUZQVZOKQFB-KCJUWKMLSA-N -1 3 382.176 3.902 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2F)cc1[O-] ZINC001450838977 1060704494 /nfs/dbraw/zinc/70/44/94/1060704494.db2.gz VJYSOCRYJQVKLS-SECBINFHSA-N -1 3 380.213 3.987 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)CCCCC1 ZINC001450919099 1060717678 /nfs/dbraw/zinc/71/76/78/1060717678.db2.gz KYGRNBRVVWXPJQ-UHFFFAOYSA-N -1 3 391.475 3.640 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)CCCCC1 ZINC001450919099 1060717690 /nfs/dbraw/zinc/71/76/90/1060717690.db2.gz KYGRNBRVVWXPJQ-UHFFFAOYSA-N -1 3 391.475 3.640 20 0 GHADHM CC(C)C1(c2ccccc2)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001451658182 1060810763 /nfs/dbraw/zinc/81/07/63/1060810763.db2.gz WKELSJLWWKNCIY-UHFFFAOYSA-N -1 3 382.410 3.856 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)s1 ZINC001452107449 1060901882 /nfs/dbraw/zinc/90/18/82/1060901882.db2.gz ZBDAHQODWWFGHI-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)s1 ZINC001452107449 1060901887 /nfs/dbraw/zinc/90/18/87/1060901887.db2.gz ZBDAHQODWWFGHI-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c([O-])c1 ZINC001452499372 1060949181 /nfs/dbraw/zinc/94/91/81/1060949181.db2.gz RGWRXWRWODNBFL-UHOFOFEASA-N -1 3 377.481 3.523 20 0 GHADHM Cc1ccccc1-n1ncc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C(F)F ZINC001452693131 1060988090 /nfs/dbraw/zinc/98/80/90/1060988090.db2.gz CGUACUIJQPKKEK-UHFFFAOYSA-N -1 3 386.337 3.781 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001453156427 1061083704 /nfs/dbraw/zinc/08/37/04/1061083704.db2.gz FGCXIOFVKWVZLK-ZDUSSCGKSA-N -1 3 398.260 3.728 20 0 GHADHM CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)CC1 ZINC001345949670 1061234254 /nfs/dbraw/zinc/23/42/54/1061234254.db2.gz XYDWYUGNYPYDSS-HNNXBMFYSA-N -1 3 398.536 3.875 20 0 GHADHM COC(=O)c1cc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)ccn1 ZINC001454222326 1061657519 /nfs/dbraw/zinc/65/75/19/1061657519.db2.gz VKPNFPHGPJOQCC-UHFFFAOYSA-N -1 3 389.185 3.583 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC001545835961 1062033170 /nfs/dbraw/zinc/03/31/70/1062033170.db2.gz WLMSEBZGXQUILO-CYBMUJFWSA-N -1 3 378.444 3.897 20 0 GHADHM O=C([N-][C@@H](Cn1cccn1)c1ccccc1)C(F)(F)c1cc(F)cc(F)c1 ZINC001435242968 1062415558 /nfs/dbraw/zinc/41/55/58/1062415558.db2.gz MRHJRZHRFFHHMK-KRWDZBQOSA-N -1 3 377.341 3.811 20 0 GHADHM CN(C)c1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1Cl ZINC001456067629 1062462159 /nfs/dbraw/zinc/46/21/59/1062462159.db2.gz YBTKFLKLERWKOX-UHFFFAOYSA-N -1 3 377.778 3.778 20 0 GHADHM Cc1cccc2c(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)coc21 ZINC001347521897 1062462806 /nfs/dbraw/zinc/46/28/06/1062462806.db2.gz NKUWWNODSUZDDA-QHCPKHFHSA-N -1 3 392.455 3.590 20 0 GHADHM Cc1oc(C(C)C)cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347523041 1062465097 /nfs/dbraw/zinc/46/50/97/1062465097.db2.gz VSHIQBUAMLQPLJ-JOCHJYFZSA-N -1 3 384.476 3.561 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)[n-]n1 ZINC001456327284 1062615773 /nfs/dbraw/zinc/61/57/73/1062615773.db2.gz AGGKTNATOIFTHS-UHFFFAOYSA-N -1 3 397.435 3.764 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)n[n-]1 ZINC001456327284 1062615790 /nfs/dbraw/zinc/61/57/90/1062615790.db2.gz AGGKTNATOIFTHS-UHFFFAOYSA-N -1 3 397.435 3.764 20 0 GHADHM Cc1c(Br)cncc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001456459296 1062697073 /nfs/dbraw/zinc/69/70/73/1062697073.db2.gz SETKNNGNKHXBIB-UHFFFAOYSA-N -1 3 392.640 3.900 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1C(F)(F)F ZINC001347838983 1062711991 /nfs/dbraw/zinc/71/19/91/1062711991.db2.gz PSYJTMNLSDYMGI-UHFFFAOYSA-N -1 3 387.379 3.758 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c([O-])c(OC)c1 ZINC001456740731 1062834747 /nfs/dbraw/zinc/83/47/47/1062834747.db2.gz ACPRXYDLTHVFST-UHFFFAOYSA-N -1 3 388.807 3.503 20 0 GHADHM CC(C)[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccnc1 ZINC001456798766 1062862069 /nfs/dbraw/zinc/86/20/69/1062862069.db2.gz IDENPUJMWIMASQ-IBGZPJMESA-N -1 3 378.432 3.540 20 0 GHADHM CC(C)[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccnc1 ZINC001456798766 1062862088 /nfs/dbraw/zinc/86/20/88/1062862088.db2.gz IDENPUJMWIMASQ-IBGZPJMESA-N -1 3 378.432 3.540 20 0 GHADHM Cc1noc(-c2ccc(C[N-]C(=O)C(F)(F)c3cc(F)cc(F)c3)cc2)n1 ZINC001435825300 1062949839 /nfs/dbraw/zinc/94/98/39/1062949839.db2.gz YLHWOPDEXMUSAL-UHFFFAOYSA-N -1 3 379.313 3.731 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)OCc2ccc(F)cc2)c(C(=O)OCC)[n-]1 ZINC001435886769 1062982021 /nfs/dbraw/zinc/98/20/21/1062982021.db2.gz JUNJBNSEZYJPDA-CYBMUJFWSA-N -1 3 391.443 3.612 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc4c(c3)OCCCO4)n[n-]2)cc1 ZINC001457163299 1062993962 /nfs/dbraw/zinc/99/39/62/1062993962.db2.gz SGBKJMOPCASRDW-UHFFFAOYSA-N -1 3 396.472 3.819 20 0 GHADHM CCC[C@@H](CC1CCCCC1)C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001348428274 1063069609 /nfs/dbraw/zinc/06/96/09/1063069609.db2.gz CKZAPZDIXNFXPO-SFHVURJKSA-N -1 3 388.556 3.962 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)s1 ZINC001457579426 1063262288 /nfs/dbraw/zinc/26/22/88/1063262288.db2.gz CPBDQZINSWOBBQ-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc4ccccc4nc3Cl)c2c1=O ZINC001457884647 1063415313 /nfs/dbraw/zinc/41/53/13/1063415313.db2.gz FVFJANBQAHBBNK-UHFFFAOYSA-N -1 3 381.823 3.507 20 0 GHADHM CCCCOc1ccc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC001458001447 1063500345 /nfs/dbraw/zinc/50/03/45/1063500345.db2.gz ZAAFXIWSCBICJO-QGZVFWFLSA-N -1 3 391.508 3.667 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC001349512278 1063761416 /nfs/dbraw/zinc/76/14/16/1063761416.db2.gz CMILJBUAALUEJB-UHFFFAOYSA-N -1 3 396.428 3.563 20 0 GHADHM O=C([O-])[C@]1(NC(=O)c2cccc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC001349872602 1063931285 /nfs/dbraw/zinc/93/12/85/1063931285.db2.gz CGLBYFFWLVDLAT-DEOSSOPVSA-N -1 3 388.467 3.689 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001349970869 1063956257 /nfs/dbraw/zinc/95/62/57/1063956257.db2.gz SGALDTDVYLQRED-HTAPYJJXSA-N -1 3 376.412 3.780 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)c(C(=O)OCC)[n-]1 ZINC001458956666 1063968431 /nfs/dbraw/zinc/96/84/31/1063968431.db2.gz SFDMYQVDPRNVMJ-CQSZACIVSA-N -1 3 377.485 3.607 20 0 GHADHM CCCC[C@@H](CC)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001350297548 1064050447 /nfs/dbraw/zinc/05/04/47/1064050447.db2.gz BGCAEQHPTWTCBW-CQSZACIVSA-N -1 3 386.533 3.849 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001546111270 1064177973 /nfs/dbraw/zinc/17/79/73/1064177973.db2.gz CWOVCZBITDMPCX-NSHDSACASA-N -1 3 382.382 3.935 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)nnn1Cc1ccccc1 ZINC001351066448 1064254603 /nfs/dbraw/zinc/25/46/03/1064254603.db2.gz JEQQZFAXFSBSHX-UHFFFAOYSA-N -1 3 390.472 3.660 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C)CC1)c1ccc2ccccc2c1 ZINC001463399050 1064313160 /nfs/dbraw/zinc/31/31/60/1064313160.db2.gz UJZPMZRUVSBBTN-FPCQFERPSA-N -1 3 375.490 3.552 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)[C@H]1CCCO1 ZINC001463460444 1064371171 /nfs/dbraw/zinc/37/11/71/1064371171.db2.gz ODPFPFHFZDBYPX-CHWSQXEVSA-N -1 3 396.734 3.647 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CN2CCCCC2)c2ccccc2)c(F)c1F ZINC001463520149 1064430913 /nfs/dbraw/zinc/43/09/13/1064430913.db2.gz WNNDIMLGCLZJNO-QGZVFWFLSA-N -1 3 394.487 3.779 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1csnc1-c1ccccc1 ZINC001463612931 1064500307 /nfs/dbraw/zinc/50/03/07/1064500307.db2.gz FQLKEBBTBAPMJX-UHFFFAOYSA-N -1 3 385.514 3.562 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001463653923 1064529815 /nfs/dbraw/zinc/52/98/15/1064529815.db2.gz NHNAIMMORSEODF-UHFFFAOYSA-N -1 3 391.449 3.919 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)o1 ZINC001463816800 1064644388 /nfs/dbraw/zinc/64/43/88/1064644388.db2.gz FYSSUXJVKHRDEM-UHFFFAOYSA-N -1 3 377.491 3.538 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Br)c1)c1cccc(Cl)c1F ZINC001463842208 1064663055 /nfs/dbraw/zinc/66/30/55/1064663055.db2.gz HKFGVMHWXJWZGS-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC001463870478 1064682735 /nfs/dbraw/zinc/68/27/35/1064682735.db2.gz PPDFSZNMRUFJRD-CHWSQXEVSA-N -1 3 394.306 3.797 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)c(F)cc1F ZINC001463895771 1064700823 /nfs/dbraw/zinc/70/08/23/1064700823.db2.gz QANQHSGBBWNCRT-INIZCTEOSA-N -1 3 387.473 3.517 20 0 GHADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001464050940 1064789427 /nfs/dbraw/zinc/78/94/27/1064789427.db2.gz AHWNKINXGJZPHV-UHFFFAOYSA-N -1 3 380.363 3.743 20 0 GHADHM O=C(NCc1ccccc1C(F)(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001464053263 1064790122 /nfs/dbraw/zinc/79/01/22/1064790122.db2.gz PNWVLCGLAKKNEO-UHFFFAOYSA-N -1 3 382.288 3.755 20 0 GHADHM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC001464146377 1064857106 /nfs/dbraw/zinc/85/71/06/1064857106.db2.gz KQOZDKUQIBDEJS-UHFFFAOYSA-N -1 3 390.496 3.518 20 0 GHADHM C=C/C=C\CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001464405228 1064991245 /nfs/dbraw/zinc/99/12/45/1064991245.db2.gz SFAIRRYCVKORQP-ARJAWSKDSA-N -1 3 399.335 3.983 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCC2)CO1)c1cc(Cl)ccc1C(F)(F)F ZINC001464532016 1065066323 /nfs/dbraw/zinc/06/63/23/1065066323.db2.gz NNVCHUCHCHPZCF-GFCCVEGCSA-N -1 3 397.846 3.986 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCS1 ZINC001464654666 1065141028 /nfs/dbraw/zinc/14/10/28/1065141028.db2.gz PWDJZCOPFYNZTC-SECBINFHSA-N -1 3 387.420 3.677 20 0 GHADHM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)O1 ZINC001464736290 1065183335 /nfs/dbraw/zinc/18/33/35/1065183335.db2.gz AJEQEGVXFNLRDH-NSHDSACASA-N -1 3 396.734 3.729 20 0 GHADHM O=C([N-]Cc1ccccc1Cl)C(F)(F)c1ncccc1Br ZINC001352817264 1065337314 /nfs/dbraw/zinc/33/73/14/1065337314.db2.gz RFDVXFXCXUOEFK-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)n(-c2ccc(C)cc2)n1 ZINC001465066962 1065368076 /nfs/dbraw/zinc/36/80/76/1065368076.db2.gz XVLCORZLSLNLFK-NSHDSACASA-N -1 3 393.373 3.509 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465231600 1065480713 /nfs/dbraw/zinc/48/07/13/1065480713.db2.gz VZKXSWNGQIOMAO-CJNGLKHVSA-N -1 3 394.537 3.927 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465231602 1065481433 /nfs/dbraw/zinc/48/14/33/1065481433.db2.gz VZKXSWNGQIOMAO-XJKSGUPXSA-N -1 3 394.537 3.927 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001465564874 1065718957 /nfs/dbraw/zinc/71/89/57/1065718957.db2.gz UOPWZTDOLNWXLP-NSHDSACASA-N -1 3 382.247 3.784 20 0 GHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(C(F)(F)F)ncn3)s2)c1 ZINC001353270325 1065822332 /nfs/dbraw/zinc/82/23/32/1065822332.db2.gz XJZRVTMXMBDUTD-UHFFFAOYSA-N -1 3 379.367 3.883 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001465789659 1065859192 /nfs/dbraw/zinc/85/91/92/1065859192.db2.gz XTEFPTULMDOVIG-LJQANCHMSA-N -1 3 385.460 3.898 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cn(C)nc1C(C)(C)C ZINC001353463718 1065962183 /nfs/dbraw/zinc/96/21/83/1065962183.db2.gz AQVDGSDDBDZMMN-UHFFFAOYSA-N -1 3 396.447 3.802 20 0 GHADHM Cc1cc2ccccc2c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC001466593798 1066202861 /nfs/dbraw/zinc/20/28/61/1066202861.db2.gz GMDLCTZNSSBUOP-UHFFFAOYSA-N -1 3 389.455 3.844 20 0 GHADHM C[C@@H](NC(=O)Nc1csnc1-c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001466869985 1066358772 /nfs/dbraw/zinc/35/87/72/1066358772.db2.gz RTKMIKCDNCVKNQ-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(I)c(Cl)c1 ZINC001467405204 1067274934 /nfs/dbraw/zinc/27/49/34/1067274934.db2.gz NFROLOJXRVBDTG-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(I)c(Cl)c1 ZINC001467405204 1067274945 /nfs/dbraw/zinc/27/49/45/1067274945.db2.gz NFROLOJXRVBDTG-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM CCCCNC(=O)C1([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)CCCCC1 ZINC001357949548 1067343872 /nfs/dbraw/zinc/34/38/72/1067343872.db2.gz CJPJSGMLQJIVQD-UHFFFAOYSA-N -1 3 388.405 3.792 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC001467528031 1067344046 /nfs/dbraw/zinc/34/40/46/1067344046.db2.gz LCXITEDUYRZSGI-UHFFFAOYSA-N -1 3 397.431 3.709 20 0 GHADHM O=C([N-]Cc1ccc2c(n1)CCCC2)C(F)(F)c1ncccc1Br ZINC001467559508 1067359095 /nfs/dbraw/zinc/35/90/95/1067359095.db2.gz NLSBYVGNPFWFPZ-UHFFFAOYSA-N -1 3 396.235 3.526 20 0 GHADHM CCC1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CCN(C(=O)c2ccccc2)CC1 ZINC000615138286 1067580083 /nfs/dbraw/zinc/58/00/83/1067580083.db2.gz XNNUIGZXLZQSDN-UHFFFAOYSA-N -1 3 392.459 3.540 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2c(C)nc3ccc(Br)cn32)c1[O-] ZINC001468602392 1067786931 /nfs/dbraw/zinc/78/69/31/1067786931.db2.gz XYMLFHDHPPPBAX-UHFFFAOYSA-N -1 3 388.221 3.566 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468756364 1067862232 /nfs/dbraw/zinc/86/22/32/1067862232.db2.gz FXGRCCMAJJXGKB-LLVKDONJSA-N -1 3 396.501 3.520 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468756364 1067862246 /nfs/dbraw/zinc/86/22/46/1067862246.db2.gz FXGRCCMAJJXGKB-LLVKDONJSA-N -1 3 396.501 3.520 20 0 GHADHM CCSc1ccc(CC(=O)[N-]OCc2ccccn2)c(Br)c1 ZINC001468833860 1067904550 /nfs/dbraw/zinc/90/45/50/1067904550.db2.gz SFVYSYHUDWJQDW-UHFFFAOYSA-N -1 3 381.295 3.747 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)[C@@H]2C1 ZINC001469097258 1067977491 /nfs/dbraw/zinc/97/74/91/1067977491.db2.gz XMXVVNYSRKLOGC-BLLLJJGKSA-N -1 3 380.872 3.517 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1cc(F)cc2n[n-]nc21 ZINC001469111294 1067982562 /nfs/dbraw/zinc/98/25/62/1067982562.db2.gz DHWPRRVWOUZDCU-UHFFFAOYSA-N -1 3 384.758 3.585 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC001469376509 1068131844 /nfs/dbraw/zinc/13/18/44/1068131844.db2.gz HFGZDDMUUOPPFN-AWEZNQCLSA-N -1 3 397.862 3.773 20 0 GHADHM Cc1ccc(C(N)=O)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC001469614324 1068258881 /nfs/dbraw/zinc/25/88/81/1068258881.db2.gz BIKSGSPUQLXMPP-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)[n-]1 ZINC001469653647 1068286718 /nfs/dbraw/zinc/28/67/18/1068286718.db2.gz BKANVLGIBIOPRR-UHFFFAOYSA-N -1 3 395.253 3.819 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1 ZINC001469724621 1068339872 /nfs/dbraw/zinc/33/98/72/1068339872.db2.gz QRIUBRICNVDVMB-UHFFFAOYSA-N -1 3 391.399 3.751 20 0 GHADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])OCO3)c2cc(Br)ccc21 ZINC001470188220 1068615729 /nfs/dbraw/zinc/61/57/29/1068615729.db2.gz GFMKELJYOWQGME-UHFFFAOYSA-N -1 3 390.233 3.821 20 0 GHADHM CCOC(=O)C(F)(F)[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccccc1 ZINC001460280893 1068904588 /nfs/dbraw/zinc/90/45/88/1068904588.db2.gz AIQKDJWBWBBORS-OAHLLOKOSA-N -1 3 398.356 3.538 20 0 GHADHM CN(CCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 ZINC001460654523 1069061323 /nfs/dbraw/zinc/06/13/23/1069061323.db2.gz WLIQFVZTAADNQM-INIZCTEOSA-N -1 3 391.437 3.795 20 0 GHADHM NC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC001470984289 1072866468 /nfs/dbraw/zinc/86/64/68/1072866468.db2.gz NQVCMEPTMOINPD-UHFFFAOYSA-N -1 3 398.391 3.637 20 0 GHADHM O=C(N[C@]12C[C@H]1CCCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001471113345 1072927376 /nfs/dbraw/zinc/92/73/76/1072927376.db2.gz XVZPRJFPDSTWCB-FOIQADDNSA-N -1 3 388.464 3.689 20 0 GHADHM C[C@H](NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC001478854085 1079003905 /nfs/dbraw/zinc/00/39/05/1079003905.db2.gz HMYKIXIUKUJMBT-BBRMVZONSA-N -1 3 397.441 3.775 20 0 GHADHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001471298812 1073004187 /nfs/dbraw/zinc/00/41/87/1073004187.db2.gz XLPRWWGWBUINOC-HXUWFJFHSA-N -1 3 382.504 3.725 20 0 GHADHM O=C(N[C@@H]1COc2cccc(Br)c2C1)c1cc([O-])ccc1Cl ZINC001471444218 1073078111 /nfs/dbraw/zinc/07/81/11/1073078111.db2.gz OAEIZRYRHUYXJU-VIFPVBQESA-N -1 3 382.641 3.542 20 0 GHADHM COc1cccc2c1OCCC[C@H]2NC(=O)c1cc([O-])cc(Br)c1 ZINC001471629626 1073163582 /nfs/dbraw/zinc/16/35/82/1073163582.db2.gz WHAREQBFRRVYDA-OAHLLOKOSA-N -1 3 392.249 3.807 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c1 ZINC001471805275 1073223507 /nfs/dbraw/zinc/22/35/07/1073223507.db2.gz SVSKZRDKUKQBFD-UHFFFAOYSA-N -1 3 380.366 3.846 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)[n-]n1 ZINC001472091109 1073330679 /nfs/dbraw/zinc/33/06/79/1073330679.db2.gz OBPOWYJBMCPPCY-RYUDHWBXSA-N -1 3 397.353 3.616 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n[n-]1 ZINC001472091109 1073330682 /nfs/dbraw/zinc/33/06/82/1073330682.db2.gz OBPOWYJBMCPPCY-RYUDHWBXSA-N -1 3 397.353 3.616 20 0 GHADHM C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001472109711 1073337323 /nfs/dbraw/zinc/33/73/23/1073337323.db2.gz UZPUQFFMOVHLPP-YFKPBYRVSA-N -1 3 375.713 3.588 20 0 GHADHM C[C@@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472111990 1073337810 /nfs/dbraw/zinc/33/78/10/1073337810.db2.gz VEMTXVALVZDBPY-BXUZGUMPSA-N -1 3 381.402 3.760 20 0 GHADHM CC[C@@H](CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-])c1ccc(OC)cc1 ZINC001472228578 1073376727 /nfs/dbraw/zinc/37/67/27/1073376727.db2.gz SIZJGINPBAJDII-ZDUSSCGKSA-N -1 3 387.432 3.718 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3n[nH]c4c3C[C@@H](C)CC4)n[n-]2)cc1 ZINC001472357861 1073444151 /nfs/dbraw/zinc/44/41/51/1073444151.db2.gz XJSLSGBFBZAOQU-LBPRGKRZSA-N -1 3 382.493 3.506 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c([O-])c1 ZINC001472493998 1073512650 /nfs/dbraw/zinc/51/26/50/1073512650.db2.gz USTUIOKAKICYJO-UHFFFAOYSA-N -1 3 398.503 3.698 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ncsc3Nc3ccccc3)c2c1=O ZINC001472585435 1073562013 /nfs/dbraw/zinc/56/20/13/1073562013.db2.gz PACKWAKPKMTTEN-UHFFFAOYSA-N -1 3 394.460 3.505 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001472607515 1073571837 /nfs/dbraw/zinc/57/18/37/1073571837.db2.gz QVDVKEBLALAYGS-PBHICJAKSA-N -1 3 392.496 3.699 20 0 GHADHM Cc1nc(-c2ccccc2)oc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001473592141 1074036564 /nfs/dbraw/zinc/03/65/64/1074036564.db2.gz ZKAVGUYSZCCVRV-ZFWWWQNUSA-N -1 3 381.398 3.681 20 0 GHADHM O=c1cc(CN[C@H](CO)c2ccccc2C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC001473823995 1074160834 /nfs/dbraw/zinc/16/08/34/1074160834.db2.gz UWDXFRKGKCHRIQ-QGZVFWFLSA-N -1 3 389.377 3.691 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CCSCc2cccc3ccccc32)s1 ZINC001474874663 1074605293 /nfs/dbraw/zinc/60/52/93/1074605293.db2.gz RDVIHMCPGKQWCQ-UHFFFAOYSA-N -1 3 394.543 3.517 20 0 GHADHM O=S(=O)([N-]CCc1cc(Cl)cc(Cl)c1)c1cccnc1C(F)(F)F ZINC001474897502 1074619256 /nfs/dbraw/zinc/61/92/56/1074619256.db2.gz YSLQLWLDOPIWLU-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)c1 ZINC001474955436 1074650913 /nfs/dbraw/zinc/65/09/13/1074650913.db2.gz NOLGUWVTTVOWPE-IBGZPJMESA-N -1 3 393.480 3.905 20 0 GHADHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001474960147 1074653962 /nfs/dbraw/zinc/65/39/62/1074653962.db2.gz ZPNHZCGLVNOFTF-LBPRGKRZSA-N -1 3 384.851 3.512 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1noc(-c2ccccc2)n1 ZINC001475098860 1074736044 /nfs/dbraw/zinc/73/60/44/1074736044.db2.gz BYGIZUNNNRWQFG-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM Cc1cc([C@H]([N-]S(=O)(=O)c2occc2Br)C2CC2)ccc1F ZINC001475114810 1074742926 /nfs/dbraw/zinc/74/29/26/1074742926.db2.gz KNDYVWSLDDMLFH-CQSZACIVSA-N -1 3 388.258 3.919 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2sc(Br)cc2C)C[C@@H]1OC ZINC001475125780 1074747811 /nfs/dbraw/zinc/74/78/11/1074747811.db2.gz DSZRDGWGPFGSBQ-MNOVXSKESA-N -1 3 396.372 3.691 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c(F)cc(F)cc32)cc1F ZINC001475339651 1074839442 /nfs/dbraw/zinc/83/94/42/1074839442.db2.gz ADQHXNSAPKHWCK-HNNXBMFYSA-N -1 3 389.370 3.608 20 0 GHADHM Cc1ccc(Br)c(CS(=O)(=O)[N-]Cc2nc3ccccc3o2)c1 ZINC001475343495 1074841145 /nfs/dbraw/zinc/84/11/45/1074841145.db2.gz YVCRPAPKQBXPMF-UHFFFAOYSA-N -1 3 395.278 3.518 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1(CO)CCCC1 ZINC001475369198 1074851700 /nfs/dbraw/zinc/85/17/00/1074851700.db2.gz KKKIURVZIGTQKW-SFHVURJKSA-N -1 3 394.562 3.666 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1cccc(F)c1)c1ccccc1Br ZINC001475473053 1074887713 /nfs/dbraw/zinc/88/77/13/1074887713.db2.gz YTSMVOVFQXERSZ-UHFFFAOYSA-N -1 3 394.212 3.659 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCSC1)c1cccc(Cl)c1Br ZINC001475583080 1074920427 /nfs/dbraw/zinc/92/04/27/1074920427.db2.gz LVCZBRGZIJOMJU-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM CC[C@H](Cc1cn(C)c2ccccc12)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001475558377 1074914108 /nfs/dbraw/zinc/91/41/08/1074914108.db2.gz LDTCAEBGRWDFAZ-OAHLLOKOSA-N -1 3 391.924 3.835 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC=C(Cl)Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC001475721247 1075008631 /nfs/dbraw/zinc/00/86/31/1075008631.db2.gz VIJFZFXXVYMJIA-MRVPVSSYSA-N -1 3 396.683 3.689 20 0 GHADHM C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001475724513 1075009104 /nfs/dbraw/zinc/00/91/04/1075009104.db2.gz BFMZNHZYVNJJJM-LBPRGKRZSA-N -1 3 381.402 3.549 20 0 GHADHM Cc1nc(CN[C@@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)c(C)s1 ZINC001600701920 1126219948 /nfs/dbraw/zinc/21/99/48/1126219948.db2.gz DYZUTHNCPBSCHE-KRWDZBQOSA-N -1 3 395.322 3.624 20 0 GHADHM CO[N-]C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000003800225 204020126 /nfs/dbraw/zinc/02/01/26/204020126.db2.gz VOHDRSOCVBBETF-UHFFFAOYSA-N -1 3 386.835 3.520 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000737365620 598823170 /nfs/dbraw/zinc/82/31/70/598823170.db2.gz IUODILMWCXYPPF-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000737365620 598823171 /nfs/dbraw/zinc/82/31/71/598823171.db2.gz IUODILMWCXYPPF-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382616 598823391 /nfs/dbraw/zinc/82/33/91/598823391.db2.gz MWOCOJGUNHVAAA-APPDUMDISA-N -1 3 388.374 3.607 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1ccc(Cl)cc1 ZINC000737524638 598828778 /nfs/dbraw/zinc/82/87/78/598828778.db2.gz OWZDKEHTRNLAGS-UHFFFAOYSA-N -1 3 395.854 3.556 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1ccc(Cl)cc1 ZINC000737524638 598828780 /nfs/dbraw/zinc/82/87/80/598828780.db2.gz OWZDKEHTRNLAGS-UHFFFAOYSA-N -1 3 395.854 3.556 20 0 GHADHM COc1cccc(CNc2cccc(F)c2-c2nnn[n-]2)c1OC1CCCC1 ZINC000737132414 598830443 /nfs/dbraw/zinc/83/04/43/598830443.db2.gz MRJINLZJISNEMW-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM COc1cccc(CNc2cccc(F)c2-c2nn[n-]n2)c1OC1CCCC1 ZINC000737132414 598830444 /nfs/dbraw/zinc/83/04/44/598830444.db2.gz MRJINLZJISNEMW-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM Cc1ccsc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737441833 598834111 /nfs/dbraw/zinc/83/41/11/598834111.db2.gz LOEFJKVVPZJZEL-UHFFFAOYSA-N -1 3 381.486 3.895 20 0 GHADHM O=C(C=C(C1CC1)C1CC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737789331 598835953 /nfs/dbraw/zinc/83/59/53/598835953.db2.gz CWNDQTJOVKDUFI-UHFFFAOYSA-N -1 3 391.500 3.958 20 0 GHADHM O=C(Cc1ccsc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737974436 598836160 /nfs/dbraw/zinc/83/61/60/598836160.db2.gz APYFLCKRYKJPHI-UHFFFAOYSA-N -1 3 381.486 3.516 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335723 598839117 /nfs/dbraw/zinc/83/91/17/598839117.db2.gz VVLAHFMRTJBZFQ-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335723 598839119 /nfs/dbraw/zinc/83/91/19/598839119.db2.gz VVLAHFMRTJBZFQ-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccccc2Cl)c1C ZINC000737503441 598840467 /nfs/dbraw/zinc/84/04/67/598840467.db2.gz JKOXPGGJFLLPCG-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000737291476 598851233 /nfs/dbraw/zinc/85/12/33/598851233.db2.gz MKPKTZKWGIVZQJ-OAQYLSRUSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000737291476 598851234 /nfs/dbraw/zinc/85/12/34/598851234.db2.gz MKPKTZKWGIVZQJ-OAQYLSRUSA-N -1 3 376.464 3.761 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736174756 598857089 /nfs/dbraw/zinc/85/70/89/598857089.db2.gz OFGNCOKZHRFTNW-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736174756 598857091 /nfs/dbraw/zinc/85/70/91/598857091.db2.gz OFGNCOKZHRFTNW-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM Cc1cccc2c(=O)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)cnc12 ZINC000737411212 598862092 /nfs/dbraw/zinc/86/20/92/598862092.db2.gz ZTLKLVGNFGEUBQ-UHFFFAOYSA-N -1 3 394.438 3.600 20 0 GHADHM Cc1cccc2c(=O)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)cnc12 ZINC000737411212 598862093 /nfs/dbraw/zinc/86/20/93/598862093.db2.gz ZTLKLVGNFGEUBQ-UHFFFAOYSA-N -1 3 394.438 3.600 20 0 GHADHM CCSc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736664963 598865319 /nfs/dbraw/zinc/86/53/19/598865319.db2.gz BTDOARQAHRAGCB-UHFFFAOYSA-N -1 3 385.518 3.851 20 0 GHADHM CCSc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664963 598865321 /nfs/dbraw/zinc/86/53/21/598865321.db2.gz BTDOARQAHRAGCB-UHFFFAOYSA-N -1 3 385.518 3.851 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCC1 ZINC000736122984 598865452 /nfs/dbraw/zinc/86/54/52/598865452.db2.gz NDBHYNMFUNHMCV-AWEZNQCLSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736122984 598865454 /nfs/dbraw/zinc/86/54/54/598865454.db2.gz NDBHYNMFUNHMCV-AWEZNQCLSA-N -1 3 377.448 3.968 20 0 GHADHM COC(=O)[C@H](N[C@@H](CC(C)C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892623 598884059 /nfs/dbraw/zinc/88/40/59/598884059.db2.gz AVVSRHMIZIHBOO-VQTJNVASSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@H](N[C@@H](CC(C)C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892623 598884060 /nfs/dbraw/zinc/88/40/60/598884060.db2.gz AVVSRHMIZIHBOO-VQTJNVASSA-N -1 3 393.491 3.766 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736332029 598890244 /nfs/dbraw/zinc/89/02/44/598890244.db2.gz RNSOZAYZOGYYJO-OLZOCXBDSA-N -1 3 384.509 3.829 20 0 GHADHM CCC[C@H](CC)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736421726 598891053 /nfs/dbraw/zinc/89/10/53/598891053.db2.gz CQRSJVZCYGUHGC-HNNXBMFYSA-N -1 3 384.509 3.973 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000738385956 598903024 /nfs/dbraw/zinc/90/30/24/598903024.db2.gz JTRJCQXTBXMHPO-SFHVURJKSA-N -1 3 393.447 3.894 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000738385956 598903026 /nfs/dbraw/zinc/90/30/26/598903026.db2.gz JTRJCQXTBXMHPO-SFHVURJKSA-N -1 3 393.447 3.894 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cc2ccccn2c1 ZINC000738172488 598904947 /nfs/dbraw/zinc/90/49/47/598904947.db2.gz MWHPGHXTFWYOPZ-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735964243 598908005 /nfs/dbraw/zinc/90/80/05/598908005.db2.gz XEPBSXXHYUQDPW-GFCCVEGCSA-N -1 3 382.493 3.535 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000736478789 598921661 /nfs/dbraw/zinc/92/16/61/598921661.db2.gz CRZWAWXISHHCGF-UHFFFAOYSA-N -1 3 398.536 3.828 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000736478789 598921662 /nfs/dbraw/zinc/92/16/62/598921662.db2.gz CRZWAWXISHHCGF-UHFFFAOYSA-N -1 3 398.536 3.828 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736828811 598926591 /nfs/dbraw/zinc/92/65/91/598926591.db2.gz SWTCQURGQFVZBX-UHFFFAOYSA-N -1 3 399.454 3.718 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736828811 598926592 /nfs/dbraw/zinc/92/65/92/598926592.db2.gz SWTCQURGQFVZBX-UHFFFAOYSA-N -1 3 399.454 3.718 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CCC1 ZINC000735857229 598940508 /nfs/dbraw/zinc/94/05/08/598940508.db2.gz POSIRIZSYLLRGK-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737997561 598942920 /nfs/dbraw/zinc/94/29/20/598942920.db2.gz WZWGUZRJUOBTGV-OAQYLSRUSA-N -1 3 399.454 3.555 20 0 GHADHM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737997561 598942922 /nfs/dbraw/zinc/94/29/22/598942922.db2.gz WZWGUZRJUOBTGV-OAQYLSRUSA-N -1 3 399.454 3.555 20 0 GHADHM CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736450712 598959696 /nfs/dbraw/zinc/95/96/96/598959696.db2.gz CDAJDMQGFWNVGT-GOSISDBHSA-N -1 3 399.520 3.809 20 0 GHADHM CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736450712 598959698 /nfs/dbraw/zinc/95/96/98/598959698.db2.gz CDAJDMQGFWNVGT-GOSISDBHSA-N -1 3 399.520 3.809 20 0 GHADHM CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCCCC1 ZINC000736741655 598977327 /nfs/dbraw/zinc/97/73/27/598977327.db2.gz HMVXDGYLXJWQRH-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCCCC1 ZINC000736741655 598977329 /nfs/dbraw/zinc/97/73/29/598977329.db2.gz HMVXDGYLXJWQRH-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737343379 598980503 /nfs/dbraw/zinc/98/05/03/598980503.db2.gz WNRGSINVSSRBLV-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM O=C(Nc1ccccc1F)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738189532 598979798 /nfs/dbraw/zinc/97/97/98/598979798.db2.gz HOHVZGHJVJQVGP-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738045472 598999807 /nfs/dbraw/zinc/99/98/07/598999807.db2.gz PVNWMVWVNWXQBE-MRXNPFEDSA-N -1 3 389.459 3.532 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738045472 598999809 /nfs/dbraw/zinc/99/98/09/598999809.db2.gz PVNWMVWVNWXQBE-MRXNPFEDSA-N -1 3 389.459 3.532 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736268233 599007415 /nfs/dbraw/zinc/00/74/15/599007415.db2.gz RITXVWKIQYANOZ-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736268233 599007416 /nfs/dbraw/zinc/00/74/16/599007416.db2.gz RITXVWKIQYANOZ-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CCc2ccccc21 ZINC000736625547 599015427 /nfs/dbraw/zinc/01/54/27/599015427.db2.gz BLSYMFSXZJSOFU-CYBMUJFWSA-N -1 3 398.850 3.944 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CCc2ccccc21 ZINC000736625547 599015428 /nfs/dbraw/zinc/01/54/28/599015428.db2.gz BLSYMFSXZJSOFU-CYBMUJFWSA-N -1 3 398.850 3.944 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000737279153 599016282 /nfs/dbraw/zinc/01/62/82/599016282.db2.gz HMKOGMNVURAVFQ-CYBMUJFWSA-N -1 3 380.452 3.983 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736231860 599021814 /nfs/dbraw/zinc/02/18/14/599021814.db2.gz YHPDAGKQPMKCJM-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736231860 599021816 /nfs/dbraw/zinc/02/18/16/599021816.db2.gz YHPDAGKQPMKCJM-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM Cc1ncsc1COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737503550 599026750 /nfs/dbraw/zinc/02/67/50/599026750.db2.gz NRQPFUIMLSCXOP-UHFFFAOYSA-N -1 3 392.444 3.732 20 0 GHADHM CCCc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736496281 599034953 /nfs/dbraw/zinc/03/49/53/599034953.db2.gz CMZYWNJYFVJEMD-GFCCVEGCSA-N -1 3 384.871 3.912 20 0 GHADHM CCCc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736496281 599034956 /nfs/dbraw/zinc/03/49/56/599034956.db2.gz CMZYWNJYFVJEMD-GFCCVEGCSA-N -1 3 384.871 3.912 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC000820198427 599043191 /nfs/dbraw/zinc/04/31/91/599043191.db2.gz VNTODBDMMJYVOK-LLVKDONJSA-N -1 3 389.916 3.879 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC000820198427 599043193 /nfs/dbraw/zinc/04/31/93/599043193.db2.gz VNTODBDMMJYVOK-LLVKDONJSA-N -1 3 389.916 3.879 20 0 GHADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821679293 599046674 /nfs/dbraw/zinc/04/66/74/599046674.db2.gz ZMEYPMNLBPOPFF-LBPRGKRZSA-N -1 3 398.776 3.734 20 0 GHADHM CO[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821679293 599046676 /nfs/dbraw/zinc/04/66/76/599046676.db2.gz ZMEYPMNLBPOPFF-LBPRGKRZSA-N -1 3 398.776 3.734 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738151474 599053095 /nfs/dbraw/zinc/05/30/95/599053095.db2.gz IUOYXWZVGWMDHC-ZDUSSCGKSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738151474 599053099 /nfs/dbraw/zinc/05/30/99/599053099.db2.gz IUOYXWZVGWMDHC-ZDUSSCGKSA-N -1 3 396.760 3.945 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736154356 599055618 /nfs/dbraw/zinc/05/56/18/599055618.db2.gz UMDUDDLOBYQOTJ-GETOMWPZSA-N -1 3 387.399 3.839 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736154356 599055621 /nfs/dbraw/zinc/05/56/21/599055621.db2.gz UMDUDDLOBYQOTJ-GETOMWPZSA-N -1 3 387.399 3.839 20 0 GHADHM CCO[C@@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC000736613203 599068199 /nfs/dbraw/zinc/06/81/99/599068199.db2.gz RPDWNFSQSLBOHG-DLBZAZTESA-N -1 3 396.520 3.791 20 0 GHADHM CCO[C@@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC000736613203 599068202 /nfs/dbraw/zinc/06/82/02/599068202.db2.gz RPDWNFSQSLBOHG-DLBZAZTESA-N -1 3 396.520 3.791 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000736672113 599072274 /nfs/dbraw/zinc/07/22/74/599072274.db2.gz YUBZQXSAQYWWEG-AAEUAGOBSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000736672113 599072277 /nfs/dbraw/zinc/07/22/77/599072277.db2.gz YUBZQXSAQYWWEG-AAEUAGOBSA-N -1 3 389.431 3.819 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736244486 599070762 /nfs/dbraw/zinc/07/07/62/599070762.db2.gz IMWFAGGYOLEHTH-UKRRQHHQSA-N -1 3 378.436 3.819 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(COCc2ccccc2)cc1 ZINC000737960385 599088785 /nfs/dbraw/zinc/08/87/85/599088785.db2.gz FSBREQMHFCSFDK-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(COCc2ccccc2)cc1 ZINC000737960385 599088787 /nfs/dbraw/zinc/08/87/87/599088787.db2.gz FSBREQMHFCSFDK-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM Cn1ccnc1C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000822699071 599091004 /nfs/dbraw/zinc/09/10/04/599091004.db2.gz NDESGYMLRJCWHV-KRWDZBQOSA-N -1 3 379.855 3.650 20 0 GHADHM Cn1ccnc1C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000822699071 599091007 /nfs/dbraw/zinc/09/10/07/599091007.db2.gz NDESGYMLRJCWHV-KRWDZBQOSA-N -1 3 379.855 3.650 20 0 GHADHM Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000737275051 599091072 /nfs/dbraw/zinc/09/10/72/599091072.db2.gz OAUTWBPXKOCORE-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000737275051 599091075 /nfs/dbraw/zinc/09/10/75/599091075.db2.gz OAUTWBPXKOCORE-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C2CCCCC2)c1-c1nnn[n-]1 ZINC000737189541 599102737 /nfs/dbraw/zinc/10/27/37/599102737.db2.gz NXCSILNHKOFVSC-NSHDSACASA-N -1 3 386.525 3.560 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)NC2CCC(C)(C)CC2)c1-c1nnn[n-]1 ZINC000737190029 599102756 /nfs/dbraw/zinc/10/27/56/599102756.db2.gz TWDBNMYACABFSH-UHFFFAOYSA-N -1 3 386.525 3.560 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1F ZINC000737091342 599121967 /nfs/dbraw/zinc/12/19/67/599121967.db2.gz UGAPYRXEDQMSKL-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1F ZINC000737091342 599121969 /nfs/dbraw/zinc/12/19/69/599121969.db2.gz UGAPYRXEDQMSKL-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820254133 599136470 /nfs/dbraw/zinc/13/64/70/599136470.db2.gz MYVUGYQRSAATGK-OAHLLOKOSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820254133 599136471 /nfs/dbraw/zinc/13/64/71/599136471.db2.gz MYVUGYQRSAATGK-OAHLLOKOSA-N -1 3 393.466 3.766 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736637513 599145032 /nfs/dbraw/zinc/14/50/32/599145032.db2.gz QVPBLMWFYNLUPL-RHSMWYFYSA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736637513 599145035 /nfs/dbraw/zinc/14/50/35/599145035.db2.gz QVPBLMWFYNLUPL-RHSMWYFYSA-N -1 3 392.463 3.675 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000736821515 599147724 /nfs/dbraw/zinc/14/77/24/599147724.db2.gz YGMSYPIIMSSKPO-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000736821515 599147726 /nfs/dbraw/zinc/14/77/26/599147726.db2.gz YGMSYPIIMSSKPO-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)/C=C\C1CC1 ZINC000822211899 599151188 /nfs/dbraw/zinc/15/11/88/599151188.db2.gz SKOKNLFWDWFWRI-YFHOEESVSA-N -1 3 375.432 3.659 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)/C=C\C1CC1 ZINC000822211899 599151190 /nfs/dbraw/zinc/15/11/90/599151190.db2.gz SKOKNLFWDWFWRI-YFHOEESVSA-N -1 3 375.432 3.659 20 0 GHADHM CCC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736430521 599166687 /nfs/dbraw/zinc/16/66/87/599166687.db2.gz QWWIIUROKWHDMI-INIZCTEOSA-N -1 3 385.468 3.756 20 0 GHADHM CCC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736430521 599166689 /nfs/dbraw/zinc/16/66/89/599166689.db2.gz QWWIIUROKWHDMI-INIZCTEOSA-N -1 3 385.468 3.756 20 0 GHADHM CSc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737193112 599166808 /nfs/dbraw/zinc/16/68/08/599166808.db2.gz WWCZLYMXFXLOPK-JTQLQIEISA-N -1 3 389.481 3.847 20 0 GHADHM CSc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737193112 599166810 /nfs/dbraw/zinc/16/68/10/599166810.db2.gz WWCZLYMXFXLOPK-JTQLQIEISA-N -1 3 389.481 3.847 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736099658 599170123 /nfs/dbraw/zinc/17/01/23/599170123.db2.gz JWLWJAQEXYHAQW-SCLBCKFNSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000736099658 599170126 /nfs/dbraw/zinc/17/01/26/599170126.db2.gz JWLWJAQEXYHAQW-SCLBCKFNSA-N -1 3 399.495 4.000 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc2ccccc2c1 ZINC000737946293 599174278 /nfs/dbraw/zinc/17/42/78/599174278.db2.gz ABTJSDXUXPEAFP-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc2ccccc2c1 ZINC000737946293 599174279 /nfs/dbraw/zinc/17/42/79/599174279.db2.gz ABTJSDXUXPEAFP-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2cccs2)CCCCC1 ZINC000823234876 599174401 /nfs/dbraw/zinc/17/44/01/599174401.db2.gz PQIIFUGHUCJVEE-UHFFFAOYSA-N -1 3 385.468 3.586 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2cccs2)CCCCC1 ZINC000823234876 599174404 /nfs/dbraw/zinc/17/44/04/599174404.db2.gz PQIIFUGHUCJVEE-UHFFFAOYSA-N -1 3 385.468 3.586 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000736293871 599175507 /nfs/dbraw/zinc/17/55/07/599175507.db2.gz VLAFSBYWUJTZJM-HOCLYGCPSA-N -1 3 378.505 3.689 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736293871 599175510 /nfs/dbraw/zinc/17/55/10/599175510.db2.gz VLAFSBYWUJTZJM-HOCLYGCPSA-N -1 3 378.505 3.689 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c(C)c1 ZINC000737072635 599178504 /nfs/dbraw/zinc/17/85/04/599178504.db2.gz UFCVHZBTTQXAEI-UHFFFAOYSA-N -1 3 383.477 3.766 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c(C)c1 ZINC000737072635 599178505 /nfs/dbraw/zinc/17/85/05/599178505.db2.gz UFCVHZBTTQXAEI-UHFFFAOYSA-N -1 3 383.477 3.766 20 0 GHADHM O=C(c1cc2cccc(F)c2o1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738247296 599181279 /nfs/dbraw/zinc/18/12/79/599181279.db2.gz AMZAJATVIIOVPF-UHFFFAOYSA-N -1 3 377.379 3.557 20 0 GHADHM O=C(c1cc2cccc(F)c2o1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738247296 599181281 /nfs/dbraw/zinc/18/12/81/599181281.db2.gz AMZAJATVIIOVPF-UHFFFAOYSA-N -1 3 377.379 3.557 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1-c1ccccc1 ZINC000737593424 599181401 /nfs/dbraw/zinc/18/14/01/599181401.db2.gz QXVQESCOXOOPIA-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1-c1ccccc1 ZINC000737593424 599181403 /nfs/dbraw/zinc/18/14/03/599181403.db2.gz QXVQESCOXOOPIA-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000735874647 599182005 /nfs/dbraw/zinc/18/20/05/599182005.db2.gz KSFJGUJNFVEDFD-SFHVURJKSA-N -1 3 393.516 3.883 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000735874647 599182008 /nfs/dbraw/zinc/18/20/08/599182008.db2.gz KSFJGUJNFVEDFD-SFHVURJKSA-N -1 3 393.516 3.883 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H](C)S1 ZINC000820742193 599185001 /nfs/dbraw/zinc/18/50/01/599185001.db2.gz HZCPRXUYMGIKQN-OKILXGFUSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)S1 ZINC000820742193 599185004 /nfs/dbraw/zinc/18/50/04/599185004.db2.gz HZCPRXUYMGIKQN-OKILXGFUSA-N -1 3 395.488 3.625 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC(C2CCCC2)CC1 ZINC000823060426 599193611 /nfs/dbraw/zinc/19/36/11/599193611.db2.gz BMDSEOVGWURHBC-UHFFFAOYSA-N -1 3 385.537 3.529 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC(C2CCCC2)CC1 ZINC000823060426 599193614 /nfs/dbraw/zinc/19/36/14/599193614.db2.gz BMDSEOVGWURHBC-UHFFFAOYSA-N -1 3 385.537 3.529 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)C1 ZINC000736276408 599198959 /nfs/dbraw/zinc/19/89/59/599198959.db2.gz HJEQVXHOSURTFP-GFCCVEGCSA-N -1 3 383.839 3.794 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000820732916 599208048 /nfs/dbraw/zinc/20/80/48/599208048.db2.gz BAJBCJZHWNEXQP-IIBYNOLFSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000820732916 599208050 /nfs/dbraw/zinc/20/80/50/599208050.db2.gz BAJBCJZHWNEXQP-IIBYNOLFSA-N -1 3 391.475 3.635 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736349839 599209741 /nfs/dbraw/zinc/20/97/41/599209741.db2.gz IBLFRMLSOREXMS-IBGZPJMESA-N -1 3 395.532 3.580 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736349839 599209743 /nfs/dbraw/zinc/20/97/43/599209743.db2.gz IBLFRMLSOREXMS-IBGZPJMESA-N -1 3 395.532 3.580 20 0 GHADHM C[C@@H](COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736038746 599215642 /nfs/dbraw/zinc/21/56/42/599215642.db2.gz WTSRRWXXYQNGEF-INIZCTEOSA-N -1 3 380.448 3.763 20 0 GHADHM C[C@@H](COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736038746 599215645 /nfs/dbraw/zinc/21/56/45/599215645.db2.gz WTSRRWXXYQNGEF-INIZCTEOSA-N -1 3 380.448 3.763 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328075 599216588 /nfs/dbraw/zinc/21/65/88/599216588.db2.gz VBIICURZBFOHCS-CVEARBPZSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328075 599216590 /nfs/dbraw/zinc/21/65/90/599216590.db2.gz VBIICURZBFOHCS-CVEARBPZSA-N -1 3 378.480 3.938 20 0 GHADHM CCOCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736624492 599217096 /nfs/dbraw/zinc/21/70/96/599217096.db2.gz ZSRJDIQPMIWGKS-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360140 607261198 /nfs/dbraw/zinc/26/11/98/607261198.db2.gz XHTAOVMIOMOVFB-SCLBCKFNSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360140 607261199 /nfs/dbraw/zinc/26/11/99/607261199.db2.gz XHTAOVMIOMOVFB-SCLBCKFNSA-N -1 3 376.464 3.650 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822233905 607263850 /nfs/dbraw/zinc/26/38/50/607263850.db2.gz XNMAHZLJKJOUKM-AWEZNQCLSA-N -1 3 386.843 3.574 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822233905 607263851 /nfs/dbraw/zinc/26/38/51/607263851.db2.gz XNMAHZLJKJOUKM-AWEZNQCLSA-N -1 3 386.843 3.574 20 0 GHADHM Cc1c(NC(=O)CCOc2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822068377 607267258 /nfs/dbraw/zinc/26/72/58/607267258.db2.gz QCDRSAIZNZIQFK-UHFFFAOYSA-N -1 3 392.246 3.890 20 0 GHADHM Cc1c(NC(=O)CCOc2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822068377 607267259 /nfs/dbraw/zinc/26/72/59/607267259.db2.gz QCDRSAIZNZIQFK-UHFFFAOYSA-N -1 3 392.246 3.890 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)c2ccc(Br)s2)cccc1-c1nnn[n-]1 ZINC000822061791 607268027 /nfs/dbraw/zinc/26/80/27/607268027.db2.gz XYYGUWKFKOBMHR-VIFPVBQESA-N -1 3 392.282 3.741 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)c2ccc(Br)s2)cccc1-c1nn[n-]n1 ZINC000822061791 607268028 /nfs/dbraw/zinc/26/80/28/607268028.db2.gz XYYGUWKFKOBMHR-VIFPVBQESA-N -1 3 392.282 3.741 20 0 GHADHM Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1-c1nnn[n-]1 ZINC000822107731 607269984 /nfs/dbraw/zinc/26/99/84/607269984.db2.gz CLVWGEJPHXRFIZ-UHFFFAOYSA-N -1 3 383.502 3.906 20 0 GHADHM Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1-c1nn[n-]n1 ZINC000822107731 607269985 /nfs/dbraw/zinc/26/99/85/607269985.db2.gz CLVWGEJPHXRFIZ-UHFFFAOYSA-N -1 3 383.502 3.906 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737801145 599243745 /nfs/dbraw/zinc/24/37/45/599243745.db2.gz LXOORNKGYQBFJJ-HJWRWDBZSA-N -1 3 379.851 3.596 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737801145 599243747 /nfs/dbraw/zinc/24/37/47/599243747.db2.gz LXOORNKGYQBFJJ-HJWRWDBZSA-N -1 3 379.851 3.596 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000820198484 599244343 /nfs/dbraw/zinc/24/43/43/599244343.db2.gz XQENDPLMLHFJOZ-CQSZACIVSA-N -1 3 397.508 3.858 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000820198484 599244345 /nfs/dbraw/zinc/24/43/45/599244345.db2.gz XQENDPLMLHFJOZ-CQSZACIVSA-N -1 3 397.508 3.858 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000736480462 599248124 /nfs/dbraw/zinc/24/81/24/599248124.db2.gz PJBPOGJWSCBFOP-SFHVURJKSA-N -1 3 391.475 3.562 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000736480462 599248126 /nfs/dbraw/zinc/24/81/26/599248126.db2.gz PJBPOGJWSCBFOP-SFHVURJKSA-N -1 3 391.475 3.562 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821772545 599248334 /nfs/dbraw/zinc/24/83/34/599248334.db2.gz FIUITLHXFQTGPO-UHFFFAOYSA-N -1 3 398.442 3.634 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821772545 599248337 /nfs/dbraw/zinc/24/83/37/599248337.db2.gz FIUITLHXFQTGPO-UHFFFAOYSA-N -1 3 398.442 3.634 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736236381 599249436 /nfs/dbraw/zinc/24/94/36/599249436.db2.gz RVOITGMBDAJSBP-ZTPYXFOFSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736236381 599249439 /nfs/dbraw/zinc/24/94/39/599249439.db2.gz RVOITGMBDAJSBP-ZTPYXFOFSA-N -1 3 377.423 3.629 20 0 GHADHM CCOc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000736644073 599254366 /nfs/dbraw/zinc/25/43/66/599254366.db2.gz RTCQGGYIQPRRJQ-UHFFFAOYSA-N -1 3 396.401 3.728 20 0 GHADHM CCOc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000736644073 599254367 /nfs/dbraw/zinc/25/43/67/599254367.db2.gz RTCQGGYIQPRRJQ-UHFFFAOYSA-N -1 3 396.401 3.728 20 0 GHADHM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000821153918 607288701 /nfs/dbraw/zinc/28/87/01/607288701.db2.gz HFSYQBSHAUMVAR-CQSZACIVSA-N -1 3 394.479 3.669 20 0 GHADHM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000821153918 607288702 /nfs/dbraw/zinc/28/87/02/607288702.db2.gz HFSYQBSHAUMVAR-CQSZACIVSA-N -1 3 394.479 3.669 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084546 607284871 /nfs/dbraw/zinc/28/48/71/607284871.db2.gz MMNHOELQXNNKRV-QGZVFWFLSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084546 607284872 /nfs/dbraw/zinc/28/48/72/607284872.db2.gz MMNHOELQXNNKRV-QGZVFWFLSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1c(NC(=O)N2CCc3ccccc3[C@H]2C(C)C)cccc1-c1nnn[n-]1 ZINC000822092367 607285693 /nfs/dbraw/zinc/28/56/93/607285693.db2.gz XAVHNWUCPVGSIS-LJQANCHMSA-N -1 3 376.464 3.962 20 0 GHADHM Cc1c(NC(=O)N2CCc3ccccc3[C@H]2C(C)C)cccc1-c1nn[n-]n1 ZINC000822092367 607285694 /nfs/dbraw/zinc/28/56/94/607285694.db2.gz XAVHNWUCPVGSIS-LJQANCHMSA-N -1 3 376.464 3.962 20 0 GHADHM CCc1ccc(CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)cc1 ZINC000821481601 607286923 /nfs/dbraw/zinc/28/69/23/607286923.db2.gz MACITQCLHWGMCP-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM CCc1ccc(CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)cc1 ZINC000821481601 607286924 /nfs/dbraw/zinc/28/69/24/607286924.db2.gz MACITQCLHWGMCP-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)COc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737380194 599262228 /nfs/dbraw/zinc/26/22/28/599262228.db2.gz MTAQZSQREDYIKT-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822084669 607291518 /nfs/dbraw/zinc/29/15/18/607291518.db2.gz NIFLUFLQLYVMLJ-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822084669 607291519 /nfs/dbraw/zinc/29/15/19/607291519.db2.gz NIFLUFLQLYVMLJ-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822084667 607291591 /nfs/dbraw/zinc/29/15/91/607291591.db2.gz NIFLUFLQLYVMLJ-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822084667 607291592 /nfs/dbraw/zinc/29/15/92/607291592.db2.gz NIFLUFLQLYVMLJ-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cccc1-c1nnn[n-]1 ZINC000822083993 607292297 /nfs/dbraw/zinc/29/22/97/607292297.db2.gz GJNQGWQKURUFBJ-UHFFFAOYSA-N -1 3 380.427 3.758 20 0 GHADHM Cc1c(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cccc1-c1nn[n-]n1 ZINC000822083993 607292298 /nfs/dbraw/zinc/29/22/98/607292298.db2.gz GJNQGWQKURUFBJ-UHFFFAOYSA-N -1 3 380.427 3.758 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCSc3c(F)cccc32)cccc1-c1nnn[n-]1 ZINC000822092767 607292326 /nfs/dbraw/zinc/29/23/26/607292326.db2.gz YZLCHSCKZBBPKN-HNNXBMFYSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCSc3c(F)cccc32)cccc1-c1nn[n-]n1 ZINC000822092767 607292327 /nfs/dbraw/zinc/29/23/27/607292327.db2.gz YZLCHSCKZBBPKN-HNNXBMFYSA-N -1 3 384.440 3.673 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820667322 599259533 /nfs/dbraw/zinc/25/95/33/599259533.db2.gz LVQJGHXMNAJGCI-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820667322 599259535 /nfs/dbraw/zinc/25/95/35/599259535.db2.gz LVQJGHXMNAJGCI-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM CCc1ccccc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821492852 607307935 /nfs/dbraw/zinc/30/79/35/607307935.db2.gz XHYFPSWHVCNWTD-UHFFFAOYSA-N -1 3 390.472 3.729 20 0 GHADHM CCc1ccccc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821492852 607307936 /nfs/dbraw/zinc/30/79/36/607307936.db2.gz XHYFPSWHVCNWTD-UHFFFAOYSA-N -1 3 390.472 3.729 20 0 GHADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1OCc1ccncc1 ZINC000821835934 607309037 /nfs/dbraw/zinc/30/90/37/607309037.db2.gz UDQNFVOWQIQLCC-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1OCc1ccncc1 ZINC000821835934 607309038 /nfs/dbraw/zinc/30/90/38/607309038.db2.gz UDQNFVOWQIQLCC-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821821789 607311482 /nfs/dbraw/zinc/31/14/82/607311482.db2.gz WWHKWZHAISPFOP-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM COc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821821789 607311483 /nfs/dbraw/zinc/31/14/83/607311483.db2.gz WWHKWZHAISPFOP-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820155605 599273660 /nfs/dbraw/zinc/27/36/60/599273660.db2.gz SOEJFOJFMFZVKU-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820155605 599273662 /nfs/dbraw/zinc/27/36/62/599273662.db2.gz SOEJFOJFMFZVKU-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000821762619 599274416 /nfs/dbraw/zinc/27/44/16/599274416.db2.gz NISGFTSSACURAW-PXAZEXFGSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000821762619 599274419 /nfs/dbraw/zinc/27/44/19/599274419.db2.gz NISGFTSSACURAW-PXAZEXFGSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821839540 599281835 /nfs/dbraw/zinc/28/18/35/599281835.db2.gz WDHPUSJWSSKIJU-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821839540 599281837 /nfs/dbraw/zinc/28/18/37/599281837.db2.gz WDHPUSJWSSKIJU-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000737220672 599282711 /nfs/dbraw/zinc/28/27/11/599282711.db2.gz DOVCHRXRIKLGIB-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820571491 599288069 /nfs/dbraw/zinc/28/80/69/599288069.db2.gz ZSSSHXCVLVVOHI-SNVBAGLBSA-N -1 3 391.357 3.505 20 0 GHADHM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820571491 599288070 /nfs/dbraw/zinc/28/80/70/599288070.db2.gz ZSSSHXCVLVVOHI-SNVBAGLBSA-N -1 3 391.357 3.505 20 0 GHADHM Cc1ccc(-n2cnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737303709 599288787 /nfs/dbraw/zinc/28/87/87/599288787.db2.gz NMFLQOYAYLBRAL-AWEZNQCLSA-N -1 3 377.477 3.918 20 0 GHADHM Cc1ccc(-n2cnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737303709 599288789 /nfs/dbraw/zinc/28/87/89/599288789.db2.gz NMFLQOYAYLBRAL-AWEZNQCLSA-N -1 3 377.477 3.918 20 0 GHADHM COC(=O)c1ccc2nc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)oc2c1 ZINC000736947541 599290130 /nfs/dbraw/zinc/29/01/30/599290130.db2.gz GVTKWVKAPPCDIP-JTQLQIEISA-N -1 3 381.417 3.648 20 0 GHADHM COC(=O)c1ccc2nc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)oc2c1 ZINC000736947541 599290133 /nfs/dbraw/zinc/29/01/33/599290133.db2.gz GVTKWVKAPPCDIP-JTQLQIEISA-N -1 3 381.417 3.648 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000823303652 599290203 /nfs/dbraw/zinc/29/02/03/599290203.db2.gz PPCQCRQVTPWAAN-UHFFFAOYSA-N -1 3 394.382 3.537 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000823303652 599290204 /nfs/dbraw/zinc/29/02/04/599290204.db2.gz PPCQCRQVTPWAAN-UHFFFAOYSA-N -1 3 394.382 3.537 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000821082852 607333305 /nfs/dbraw/zinc/33/33/05/607333305.db2.gz PTILKVVEIZFWMF-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000821082852 607333306 /nfs/dbraw/zinc/33/33/06/607333306.db2.gz PTILKVVEIZFWMF-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc(Cl)nc1 ZINC000738182324 598231506 /nfs/dbraw/zinc/23/15/06/598231506.db2.gz CZBBOINFUDUMKP-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737964812 598235529 /nfs/dbraw/zinc/23/55/29/598235529.db2.gz YXCRKICGAUAQMU-LJQANCHMSA-N -1 3 381.867 3.720 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737964812 598235530 /nfs/dbraw/zinc/23/55/30/598235530.db2.gz YXCRKICGAUAQMU-LJQANCHMSA-N -1 3 381.867 3.720 20 0 GHADHM C[C@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)(C)C ZINC000735974156 598237595 /nfs/dbraw/zinc/23/75/95/598237595.db2.gz JQCZDVAZXRFBGO-OAHLLOKOSA-N -1 3 385.512 3.699 20 0 GHADHM C[C@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)CC(C)(C)C ZINC000735974156 598237597 /nfs/dbraw/zinc/23/75/97/598237597.db2.gz JQCZDVAZXRFBGO-OAHLLOKOSA-N -1 3 385.512 3.699 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCc2ccccc2C1 ZINC000738278475 598247531 /nfs/dbraw/zinc/24/75/31/598247531.db2.gz LHQBCVDFZDXJMH-UHFFFAOYSA-N -1 3 397.438 3.858 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCc2ccccc2C1 ZINC000738278475 598247532 /nfs/dbraw/zinc/24/75/32/598247532.db2.gz LHQBCVDFZDXJMH-UHFFFAOYSA-N -1 3 397.438 3.858 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000735660999 598254559 /nfs/dbraw/zinc/25/45/59/598254559.db2.gz POQYIUIQZXVRTH-CQSZACIVSA-N -1 3 397.458 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000735660999 598254561 /nfs/dbraw/zinc/25/45/61/598254561.db2.gz POQYIUIQZXVRTH-CQSZACIVSA-N -1 3 397.458 3.584 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000738167240 598268032 /nfs/dbraw/zinc/26/80/32/598268032.db2.gz QDYMYSZPNCTKQH-KRWDZBQOSA-N -1 3 378.367 3.510 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000738167240 598268033 /nfs/dbraw/zinc/26/80/33/598268033.db2.gz QDYMYSZPNCTKQH-KRWDZBQOSA-N -1 3 378.367 3.510 20 0 GHADHM Clc1ccc2c(c1Cl)CCN(c1nc3c(cc1-c1nnn[n-]1)CCC3)C2 ZINC000737574013 598299080 /nfs/dbraw/zinc/29/90/80/598299080.db2.gz OQDAPWAKGXNVNL-UHFFFAOYSA-N -1 3 387.274 3.620 20 0 GHADHM Clc1ccc2c(c1Cl)CCN(c1nc3c(cc1-c1nn[n-]n1)CCC3)C2 ZINC000737574013 598299081 /nfs/dbraw/zinc/29/90/81/598299081.db2.gz OQDAPWAKGXNVNL-UHFFFAOYSA-N -1 3 387.274 3.620 20 0 GHADHM CN(C(=O)CCSc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733242 598310248 /nfs/dbraw/zinc/31/02/48/598310248.db2.gz QGUNQCSUTLCPQR-UHFFFAOYSA-N -1 3 391.859 3.804 20 0 GHADHM CN(C(=O)CCSc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733242 598310250 /nfs/dbraw/zinc/31/02/50/598310250.db2.gz QGUNQCSUTLCPQR-UHFFFAOYSA-N -1 3 391.859 3.804 20 0 GHADHM CCOc1ccc(C(C)=O)cc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000736635525 598313311 /nfs/dbraw/zinc/31/33/11/598313311.db2.gz DPEKJWZGCNLWEW-UHFFFAOYSA-N -1 3 398.488 3.780 20 0 GHADHM CCOc1ccc(C(C)=O)cc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000736635525 598313313 /nfs/dbraw/zinc/31/33/13/598313313.db2.gz DPEKJWZGCNLWEW-UHFFFAOYSA-N -1 3 398.488 3.780 20 0 GHADHM Fc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737667871 598323259 /nfs/dbraw/zinc/32/32/59/598323259.db2.gz RKYNEYLFTSAKSS-OAHLLOKOSA-N -1 3 388.859 3.633 20 0 GHADHM Fc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737667871 598323261 /nfs/dbraw/zinc/32/32/61/598323261.db2.gz RKYNEYLFTSAKSS-OAHLLOKOSA-N -1 3 388.859 3.633 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735796472 598324985 /nfs/dbraw/zinc/32/49/85/598324985.db2.gz CEIPNQYZSMRHNM-OAHLLOKOSA-N -1 3 397.479 3.983 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735796472 598324987 /nfs/dbraw/zinc/32/49/87/598324987.db2.gz CEIPNQYZSMRHNM-OAHLLOKOSA-N -1 3 397.479 3.983 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cccc(F)c1F ZINC000738209141 598326259 /nfs/dbraw/zinc/32/62/59/598326259.db2.gz MKXAPMVLSXHSLX-UHFFFAOYSA-N -1 3 375.404 3.728 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cccc(F)c1F ZINC000738209141 598326261 /nfs/dbraw/zinc/32/62/61/598326261.db2.gz MKXAPMVLSXHSLX-UHFFFAOYSA-N -1 3 375.404 3.728 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736819685 598328707 /nfs/dbraw/zinc/32/87/07/598328707.db2.gz HKKVEMLGPRVNRB-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736819685 598328709 /nfs/dbraw/zinc/32/87/09/598328709.db2.gz HKKVEMLGPRVNRB-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CCN(C(=O)[C@H]1CCCc2sccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146917 607350823 /nfs/dbraw/zinc/35/08/23/607350823.db2.gz AOPCCZCPLVVUDW-DYVFJYSZSA-N -1 3 381.505 3.958 20 0 GHADHM CCN(C(=O)[C@H]1CCCc2sccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146917 607350824 /nfs/dbraw/zinc/35/08/24/607350824.db2.gz AOPCCZCPLVVUDW-DYVFJYSZSA-N -1 3 381.505 3.958 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736389708 598358920 /nfs/dbraw/zinc/35/89/20/598358920.db2.gz CUIQYKFNYZZTHW-GOSISDBHSA-N -1 3 379.464 3.811 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736389708 598358923 /nfs/dbraw/zinc/35/89/23/598358923.db2.gz CUIQYKFNYZZTHW-GOSISDBHSA-N -1 3 379.464 3.811 20 0 GHADHM COc1cc2nc(C)sc2cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737054733 598365474 /nfs/dbraw/zinc/36/54/74/598365474.db2.gz CSOPXAJFAIYSMB-UHFFFAOYSA-N -1 3 397.489 3.602 20 0 GHADHM COc1cc2nc(C)sc2cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737054733 598365476 /nfs/dbraw/zinc/36/54/76/598365476.db2.gz CSOPXAJFAIYSMB-UHFFFAOYSA-N -1 3 397.489 3.602 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737292872 598373168 /nfs/dbraw/zinc/37/31/68/598373168.db2.gz XIWKZMNZEMLIAH-QGZVFWFLSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000737292872 598373170 /nfs/dbraw/zinc/37/31/70/598373170.db2.gz XIWKZMNZEMLIAH-QGZVFWFLSA-N -1 3 376.464 3.662 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736605023 598377163 /nfs/dbraw/zinc/37/71/63/598377163.db2.gz BRAKIJXYPGIOEG-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736605023 598377165 /nfs/dbraw/zinc/37/71/65/598377165.db2.gz BRAKIJXYPGIOEG-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1 ZINC000737419598 598380627 /nfs/dbraw/zinc/38/06/27/598380627.db2.gz DWSGUORAWAXDEY-UHFFFAOYSA-N -1 3 379.489 3.786 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1 ZINC000737419598 598380629 /nfs/dbraw/zinc/38/06/29/598380629.db2.gz DWSGUORAWAXDEY-UHFFFAOYSA-N -1 3 379.489 3.786 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(CCc1ccccc1)c1ccccc1 ZINC000737894021 598384476 /nfs/dbraw/zinc/38/44/76/598384476.db2.gz BORIRLZKEFYQBH-UHFFFAOYSA-N -1 3 398.470 3.555 20 0 GHADHM Fc1cc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)c(Cl)cc1Cl ZINC000737643736 598388465 /nfs/dbraw/zinc/38/84/65/598388465.db2.gz FIYOMLUWNVHDHT-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Cc1cc(Br)cc(C)c1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737230562 598392412 /nfs/dbraw/zinc/39/24/12/598392412.db2.gz HXLDOCOHMCEXNO-UHFFFAOYSA-N -1 3 393.676 3.907 20 0 GHADHM Cc1cc(Br)cc(C)c1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737230562 598392414 /nfs/dbraw/zinc/39/24/14/598392414.db2.gz HXLDOCOHMCEXNO-UHFFFAOYSA-N -1 3 393.676 3.907 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737634677 598394591 /nfs/dbraw/zinc/39/45/91/598394591.db2.gz AAURGFAWLNISAR-GWCFXTLKSA-N -1 3 380.761 3.902 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737634677 598394592 /nfs/dbraw/zinc/39/45/92/598394592.db2.gz AAURGFAWLNISAR-GWCFXTLKSA-N -1 3 380.761 3.902 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737810748 598396815 /nfs/dbraw/zinc/39/68/15/598396815.db2.gz ZXZGHIQYGULTAY-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737810748 598396816 /nfs/dbraw/zinc/39/68/16/598396816.db2.gz ZXZGHIQYGULTAY-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)Nc1ccc(Cl)nc1 ZINC000736481665 598416856 /nfs/dbraw/zinc/41/68/56/598416856.db2.gz SEHKHXWEESOMGE-UHFFFAOYSA-N -1 3 387.900 3.524 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)Nc1ccc(Cl)nc1 ZINC000736481665 598416858 /nfs/dbraw/zinc/41/68/58/598416858.db2.gz SEHKHXWEESOMGE-UHFFFAOYSA-N -1 3 387.900 3.524 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736164120 598417846 /nfs/dbraw/zinc/41/78/46/598417846.db2.gz MXHLWSICWASHBH-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736164120 598417847 /nfs/dbraw/zinc/41/78/47/598417847.db2.gz MXHLWSICWASHBH-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2c1ccn2C ZINC000735874219 598427427 /nfs/dbraw/zinc/42/74/27/598427427.db2.gz OSTVFGJOQNBCJR-UHFFFAOYSA-N -1 3 389.463 3.801 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2c1ccn2C ZINC000735874219 598427429 /nfs/dbraw/zinc/42/74/29/598427429.db2.gz OSTVFGJOQNBCJR-UHFFFAOYSA-N -1 3 389.463 3.801 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737375071 598430330 /nfs/dbraw/zinc/43/03/30/598430330.db2.gz BZTJTNBEDSKVLQ-FQEVSTJZSA-N -1 3 390.491 3.783 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737375071 598430332 /nfs/dbraw/zinc/43/03/32/598430332.db2.gz BZTJTNBEDSKVLQ-FQEVSTJZSA-N -1 3 390.491 3.783 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000524673524 598435416 /nfs/dbraw/zinc/43/54/16/598435416.db2.gz VZOKZMMWMDDMHZ-UHFFFAOYSA-N -1 3 379.464 3.818 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000524673524 598435417 /nfs/dbraw/zinc/43/54/17/598435417.db2.gz VZOKZMMWMDDMHZ-UHFFFAOYSA-N -1 3 379.464 3.818 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000518415489 598441840 /nfs/dbraw/zinc/44/18/40/598441840.db2.gz GTZKQCJJSRXHGE-UHFFFAOYSA-N -1 3 377.492 3.803 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000518415489 598441841 /nfs/dbraw/zinc/44/18/41/598441841.db2.gz GTZKQCJJSRXHGE-UHFFFAOYSA-N -1 3 377.492 3.803 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737088486 598443075 /nfs/dbraw/zinc/44/30/75/598443075.db2.gz MNELGAKIQYLLCR-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737088486 598443077 /nfs/dbraw/zinc/44/30/77/598443077.db2.gz MNELGAKIQYLLCR-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738147554 598446562 /nfs/dbraw/zinc/44/65/62/598446562.db2.gz ZRUPJNBUXUIRFL-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738147554 598446563 /nfs/dbraw/zinc/44/65/63/598446563.db2.gz ZRUPJNBUXUIRFL-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM Cc1cccc(C2(NC(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737390135 598447543 /nfs/dbraw/zinc/44/75/43/598447543.db2.gz PPALIGWSFSPOLQ-INIZCTEOSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1cccc(C2(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)CCCC2)c1 ZINC000737390135 598447544 /nfs/dbraw/zinc/44/75/44/598447544.db2.gz PPALIGWSFSPOLQ-INIZCTEOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735992375 598475981 /nfs/dbraw/zinc/47/59/81/598475981.db2.gz DHYOEHCSBQUZAH-INIZCTEOSA-N -1 3 390.491 3.562 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735992375 598475983 /nfs/dbraw/zinc/47/59/83/598475983.db2.gz DHYOEHCSBQUZAH-INIZCTEOSA-N -1 3 390.491 3.562 20 0 GHADHM CC(C)Oc1cccc(OC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735913857 598484799 /nfs/dbraw/zinc/48/47/99/598484799.db2.gz TVOPZJFFCKVFAJ-IBGZPJMESA-N -1 3 396.447 3.663 20 0 GHADHM CC(C)Oc1cccc(OC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735913857 598484800 /nfs/dbraw/zinc/48/48/00/598484800.db2.gz TVOPZJFFCKVFAJ-IBGZPJMESA-N -1 3 396.447 3.663 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736390140 598485069 /nfs/dbraw/zinc/48/50/69/598485069.db2.gz HDUZKCMVCKOPMN-GOSISDBHSA-N -1 3 380.448 3.891 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736390140 598485070 /nfs/dbraw/zinc/48/50/70/598485070.db2.gz HDUZKCMVCKOPMN-GOSISDBHSA-N -1 3 380.448 3.891 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)on2)cc1 ZINC000737289019 598485179 /nfs/dbraw/zinc/48/51/79/598485179.db2.gz RWNVDCMRDVOFQX-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)on2)cc1 ZINC000737289019 598485180 /nfs/dbraw/zinc/48/51/80/598485180.db2.gz RWNVDCMRDVOFQX-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152934 598486006 /nfs/dbraw/zinc/48/60/06/598486006.db2.gz WEHJRNLACHBTFH-GFCCVEGCSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152934 598486008 /nfs/dbraw/zinc/48/60/08/598486008.db2.gz WEHJRNLACHBTFH-GFCCVEGCSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@H](OC(=O)c1csc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736164524 598486581 /nfs/dbraw/zinc/48/65/81/598486581.db2.gz XZXLZVYJDAXTRH-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1csc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736164524 598486583 /nfs/dbraw/zinc/48/65/83/598486583.db2.gz XZXLZVYJDAXTRH-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM COc1ccc2oc(C)c(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c2c1 ZINC000737119787 598487214 /nfs/dbraw/zinc/48/72/14/598487214.db2.gz GDVDTPAZYWNYTD-UHFFFAOYSA-N -1 3 394.435 3.739 20 0 GHADHM COc1ccc2oc(C)c(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c2c1 ZINC000737119787 598487216 /nfs/dbraw/zinc/48/72/16/598487216.db2.gz GDVDTPAZYWNYTD-UHFFFAOYSA-N -1 3 394.435 3.739 20 0 GHADHM C[C@H](OC(=O)CSc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155235 598487968 /nfs/dbraw/zinc/48/79/68/598487968.db2.gz KLSNMKCEOFHXHA-NSHDSACASA-N -1 3 397.485 3.873 20 0 GHADHM C[C@H](OC(=O)CSc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155235 598487969 /nfs/dbraw/zinc/48/79/69/598487969.db2.gz KLSNMKCEOFHXHA-NSHDSACASA-N -1 3 397.485 3.873 20 0 GHADHM CC(C)c1ccc(OCCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735928069 598488535 /nfs/dbraw/zinc/48/85/35/598488535.db2.gz DZHDGEWHVONPSX-UHFFFAOYSA-N -1 3 396.495 3.954 20 0 GHADHM CC(C)c1ccc(OCCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735928069 598488537 /nfs/dbraw/zinc/48/85/37/598488537.db2.gz DZHDGEWHVONPSX-UHFFFAOYSA-N -1 3 396.495 3.954 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736149969 598490357 /nfs/dbraw/zinc/49/03/57/598490357.db2.gz LSWZUGSCHXERFP-GFCCVEGCSA-N -1 3 384.823 3.787 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736149969 598490358 /nfs/dbraw/zinc/49/03/58/598490358.db2.gz LSWZUGSCHXERFP-GFCCVEGCSA-N -1 3 384.823 3.787 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155113 598490623 /nfs/dbraw/zinc/49/06/23/598490623.db2.gz HKAHEUYPNKTPKL-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155113 598490625 /nfs/dbraw/zinc/49/06/25/598490625.db2.gz HKAHEUYPNKTPKL-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccccc2C)c1-c1nnn[n-]1 ZINC000736670817 598516827 /nfs/dbraw/zinc/51/68/27/598516827.db2.gz SNTBIUNXCZTRMP-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccccc2C)c1-c1nn[n-]n1 ZINC000736670817 598516828 /nfs/dbraw/zinc/51/68/28/598516828.db2.gz SNTBIUNXCZTRMP-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2Br)c1-c1nnn[n-]1 ZINC000736675301 598517304 /nfs/dbraw/zinc/51/73/04/598517304.db2.gz JTJGIELOEIDMAR-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2Br)c1-c1nn[n-]n1 ZINC000736675301 598517305 /nfs/dbraw/zinc/51/73/05/598517305.db2.gz JTJGIELOEIDMAR-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737058862 598533380 /nfs/dbraw/zinc/53/33/80/598533380.db2.gz PEQGZJNDLHJDEE-ROUUACIJSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737058862 598533383 /nfs/dbraw/zinc/53/33/83/598533383.db2.gz PEQGZJNDLHJDEE-ROUUACIJSA-N -1 3 385.427 3.771 20 0 GHADHM CC(C)CC[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735797120 598538491 /nfs/dbraw/zinc/53/84/91/598538491.db2.gz LQIGBTFCUSMSOJ-CQSZACIVSA-N -1 3 383.452 3.593 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1(C)C ZINC000735680057 598544544 /nfs/dbraw/zinc/54/45/44/598544544.db2.gz QXTLNCAKJQRQSQ-FZMZJTMJSA-N -1 3 377.395 3.645 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1(C)C ZINC000735680057 598544546 /nfs/dbraw/zinc/54/45/46/598544546.db2.gz QXTLNCAKJQRQSQ-FZMZJTMJSA-N -1 3 377.395 3.645 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2sccc2s1 ZINC000738144220 598546017 /nfs/dbraw/zinc/54/60/17/598546017.db2.gz BHWIOIVOUZHUPU-UHFFFAOYSA-N -1 3 393.400 3.997 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2sccc2s1 ZINC000738144220 598546018 /nfs/dbraw/zinc/54/60/18/598546018.db2.gz BHWIOIVOUZHUPU-UHFFFAOYSA-N -1 3 393.400 3.997 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737182191 598553414 /nfs/dbraw/zinc/55/34/14/598553414.db2.gz YDLDCWOWRTUICJ-ZDUSSCGKSA-N -1 3 383.477 3.905 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737182191 598553416 /nfs/dbraw/zinc/55/34/16/598553416.db2.gz YDLDCWOWRTUICJ-ZDUSSCGKSA-N -1 3 383.477 3.905 20 0 GHADHM O=C(C=Cc1cccnc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737802642 598554219 /nfs/dbraw/zinc/55/42/19/598554219.db2.gz PZCTZRPLFGPJNO-WDZFZDKYSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1cccnc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737802642 598554221 /nfs/dbraw/zinc/55/42/21/598554221.db2.gz PZCTZRPLFGPJNO-WDZFZDKYSA-N -1 3 384.399 3.706 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737536952 598555356 /nfs/dbraw/zinc/55/53/56/598555356.db2.gz IPCBJBSAOXPWQS-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737536952 598555359 /nfs/dbraw/zinc/55/53/59/598555359.db2.gz IPCBJBSAOXPWQS-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(Nc1nccs1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738173974 598557153 /nfs/dbraw/zinc/55/71/53/598557153.db2.gz WMCLLOOYWVGPEF-UHFFFAOYSA-N -1 3 393.432 3.546 20 0 GHADHM O=C(Nc1nccs1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738173974 598557155 /nfs/dbraw/zinc/55/71/55/598557155.db2.gz WMCLLOOYWVGPEF-UHFFFAOYSA-N -1 3 393.432 3.546 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N1CC[C@H](C)C1 ZINC000737279781 598559434 /nfs/dbraw/zinc/55/94/34/598559434.db2.gz MUXFOGNUJYZCCZ-AWEZNQCLSA-N -1 3 392.463 3.628 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N1CC[C@H](C)C1 ZINC000737279781 598559436 /nfs/dbraw/zinc/55/94/36/598559436.db2.gz MUXFOGNUJYZCCZ-AWEZNQCLSA-N -1 3 392.463 3.628 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736274846 598560477 /nfs/dbraw/zinc/56/04/77/598560477.db2.gz VJGUWHPLKNSKJL-ZWNOBZJWSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736274846 598560478 /nfs/dbraw/zinc/56/04/78/598560478.db2.gz VJGUWHPLKNSKJL-ZWNOBZJWSA-N -1 3 380.399 3.511 20 0 GHADHM Cc1occc1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737557915 598564090 /nfs/dbraw/zinc/56/40/90/598564090.db2.gz XASPILLHIMOGBN-UHFFFAOYSA-N -1 3 390.403 3.882 20 0 GHADHM Cc1occc1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737557915 598564091 /nfs/dbraw/zinc/56/40/91/598564091.db2.gz XASPILLHIMOGBN-UHFFFAOYSA-N -1 3 390.403 3.882 20 0 GHADHM CC(C)OCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735896859 598564749 /nfs/dbraw/zinc/56/47/49/598564749.db2.gz XTWPKQINVXTLOS-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC(C)OCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735896859 598564750 /nfs/dbraw/zinc/56/47/50/598564750.db2.gz XTWPKQINVXTLOS-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000736671389 598569817 /nfs/dbraw/zinc/56/98/17/598569817.db2.gz XIIYBWJCBGHRIL-RYUDHWBXSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000736671389 598569819 /nfs/dbraw/zinc/56/98/19/598569819.db2.gz XIIYBWJCBGHRIL-RYUDHWBXSA-N -1 3 389.431 3.819 20 0 GHADHM O=C(CSc1nnc(CCC2CCCCC2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737954029 598569937 /nfs/dbraw/zinc/56/99/37/598569937.db2.gz RJTZBUJUGVATME-UHFFFAOYSA-N -1 3 398.492 3.738 20 0 GHADHM O=C(CSc1nnc(CCC2CCCCC2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737954029 598569938 /nfs/dbraw/zinc/56/99/38/598569938.db2.gz RJTZBUJUGVATME-UHFFFAOYSA-N -1 3 398.492 3.738 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000738166471 598584353 /nfs/dbraw/zinc/58/43/53/598584353.db2.gz JSNNQSUZPZHOLC-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000738166471 598584355 /nfs/dbraw/zinc/58/43/55/598584355.db2.gz JSNNQSUZPZHOLC-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735859332 598587452 /nfs/dbraw/zinc/58/74/52/598587452.db2.gz RPSMBCOCDWKKJF-UHFFFAOYSA-N -1 3 396.520 3.583 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735859332 598587454 /nfs/dbraw/zinc/58/74/54/598587454.db2.gz RPSMBCOCDWKKJF-UHFFFAOYSA-N -1 3 396.520 3.583 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736694993 598600626 /nfs/dbraw/zinc/60/06/26/598600626.db2.gz FYRWZBYYQVAZPQ-CYBMUJFWSA-N -1 3 375.432 3.757 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736694993 598600629 /nfs/dbraw/zinc/60/06/29/598600629.db2.gz FYRWZBYYQVAZPQ-CYBMUJFWSA-N -1 3 375.432 3.757 20 0 GHADHM COC(=O)c1sc2ccccc2c1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736956292 598601937 /nfs/dbraw/zinc/60/19/37/598601937.db2.gz GNDFNAZPLFBLMW-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM COC(=O)c1sc2ccccc2c1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736956292 598601939 /nfs/dbraw/zinc/60/19/39/598601939.db2.gz GNDFNAZPLFBLMW-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000737328280 598625164 /nfs/dbraw/zinc/62/51/64/598625164.db2.gz BABPNYBVVLKEKS-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737328280 598625166 /nfs/dbraw/zinc/62/51/66/598625166.db2.gz BABPNYBVVLKEKS-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736654760 598627744 /nfs/dbraw/zinc/62/77/44/598627744.db2.gz XOYBAPAPXDOHSC-INIZCTEOSA-N -1 3 384.415 3.677 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736654760 598627746 /nfs/dbraw/zinc/62/77/46/598627746.db2.gz XOYBAPAPXDOHSC-INIZCTEOSA-N -1 3 384.415 3.677 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000737571182 598630666 /nfs/dbraw/zinc/63/06/66/598630666.db2.gz VLWWLOXQPUQJNX-HNNXBMFYSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000737571182 598630668 /nfs/dbraw/zinc/63/06/68/598630668.db2.gz VLWWLOXQPUQJNX-HNNXBMFYSA-N -1 3 383.839 3.633 20 0 GHADHM Fc1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000737655624 598635727 /nfs/dbraw/zinc/63/57/27/598635727.db2.gz AVTHVFWBOAKYRB-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000737655624 598635729 /nfs/dbraw/zinc/63/57/29/598635729.db2.gz AVTHVFWBOAKYRB-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccc(CSc2nnc3sc4ccccc4n23)c(-c2nnn[n-]2)c1 ZINC000737650641 598643592 /nfs/dbraw/zinc/64/35/92/598643592.db2.gz UMWFOMXQQJKCBF-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Fc1ccc(CSc2nnc3sc4ccccc4n23)c(-c2nn[n-]n2)c1 ZINC000737650641 598643593 /nfs/dbraw/zinc/64/35/93/598643593.db2.gz UMWFOMXQQJKCBF-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Cl)cc1Cl ZINC000737946371 598646331 /nfs/dbraw/zinc/64/63/31/598646331.db2.gz CSLBNQMWXMHURK-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Cl)cc1Cl ZINC000737946371 598646333 /nfs/dbraw/zinc/64/63/33/598646333.db2.gz CSLBNQMWXMHURK-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736158032 598646423 /nfs/dbraw/zinc/64/64/23/598646423.db2.gz OFBNLTOSVHHXCF-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736158032 598646424 /nfs/dbraw/zinc/64/64/24/598646424.db2.gz OFBNLTOSVHHXCF-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM CO[C@H]1CCC[C@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736962848 598647519 /nfs/dbraw/zinc/64/75/19/598647519.db2.gz RNMPCFNHPKKIRD-HKUYNNGSSA-N -1 3 394.431 3.773 20 0 GHADHM CO[C@H]1CCC[C@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736962848 598647521 /nfs/dbraw/zinc/64/75/21/598647521.db2.gz RNMPCFNHPKKIRD-HKUYNNGSSA-N -1 3 394.431 3.773 20 0 GHADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736244292 598649472 /nfs/dbraw/zinc/64/94/72/598649472.db2.gz GFKUDTCTHGFMQC-ZIAGYGMSSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736244292 598649475 /nfs/dbraw/zinc/64/94/75/598649475.db2.gz GFKUDTCTHGFMQC-ZIAGYGMSSA-N -1 3 392.463 3.609 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1c(Cl)cccc1Cl ZINC000737947437 598649634 /nfs/dbraw/zinc/64/96/34/598649634.db2.gz KFTSHWLGALBOSE-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1c(Cl)cccc1Cl ZINC000737947437 598649636 /nfs/dbraw/zinc/64/96/36/598649636.db2.gz KFTSHWLGALBOSE-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737320954 598650489 /nfs/dbraw/zinc/65/04/89/598650489.db2.gz RVQVBEMUIQCITC-KRWDZBQOSA-N -1 3 393.491 3.944 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737320954 598650491 /nfs/dbraw/zinc/65/04/91/598650491.db2.gz RVQVBEMUIQCITC-KRWDZBQOSA-N -1 3 393.491 3.944 20 0 GHADHM CC(C)CN(C(=O)c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818273 598651277 /nfs/dbraw/zinc/65/12/77/598651277.db2.gz LCGZNMJJVQTBLP-UHFFFAOYSA-N -1 3 375.354 3.587 20 0 GHADHM CC(C)CN(C(=O)c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818273 598651278 /nfs/dbraw/zinc/65/12/78/598651278.db2.gz LCGZNMJJVQTBLP-UHFFFAOYSA-N -1 3 375.354 3.587 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000736110243 598655106 /nfs/dbraw/zinc/65/51/06/598655106.db2.gz GRJOFDZQCBKCQT-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000736110243 598655108 /nfs/dbraw/zinc/65/51/08/598655108.db2.gz GRJOFDZQCBKCQT-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736328954 598655181 /nfs/dbraw/zinc/65/51/81/598655181.db2.gz ZLJCEIPDYBWCED-CYBMUJFWSA-N -1 3 383.477 3.775 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736328954 598655183 /nfs/dbraw/zinc/65/51/83/598655183.db2.gz ZLJCEIPDYBWCED-CYBMUJFWSA-N -1 3 383.477 3.775 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737143006 598655662 /nfs/dbraw/zinc/65/56/62/598655662.db2.gz RNJPIUFQJDVXDZ-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737143006 598655664 /nfs/dbraw/zinc/65/56/64/598655664.db2.gz RNJPIUFQJDVXDZ-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCc1csc2ccccc12 ZINC000737942270 598655922 /nfs/dbraw/zinc/65/59/22/598655922.db2.gz XFEIMJGIOFCTIR-UHFFFAOYSA-N -1 3 395.513 3.532 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1csc2ccccc12 ZINC000737942270 598655923 /nfs/dbraw/zinc/65/59/23/598655923.db2.gz XFEIMJGIOFCTIR-UHFFFAOYSA-N -1 3 395.513 3.532 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000737941662 598657366 /nfs/dbraw/zinc/65/73/66/598657366.db2.gz ORLKIJZFVJXYBA-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000737941662 598657368 /nfs/dbraw/zinc/65/73/68/598657368.db2.gz ORLKIJZFVJXYBA-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM CCCC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736439382 598661406 /nfs/dbraw/zinc/66/14/06/598661406.db2.gz UUSNQLUURDDXBD-HXUWFJFHSA-N -1 3 393.491 3.856 20 0 GHADHM CCCC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736439382 598661408 /nfs/dbraw/zinc/66/14/08/598661408.db2.gz UUSNQLUURDDXBD-HXUWFJFHSA-N -1 3 393.491 3.856 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738175948 598665337 /nfs/dbraw/zinc/66/53/37/598665337.db2.gz QYODBAPYTWGYAE-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737824643 598665798 /nfs/dbraw/zinc/66/57/98/598665798.db2.gz SILXGCVBUUDPHX-KRWDZBQOSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737824643 598665800 /nfs/dbraw/zinc/66/58/00/598665800.db2.gz SILXGCVBUUDPHX-KRWDZBQOSA-N -1 3 393.447 3.947 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1OC1CCCC1 ZINC000737095635 598674655 /nfs/dbraw/zinc/67/46/55/598674655.db2.gz LFOQSPFLNWZSJW-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM CCN(Cc1nc2c(cccc2F)n1CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557049 598679709 /nfs/dbraw/zinc/67/97/09/598679709.db2.gz WEWQDMINVOKNDM-CQSZACIVSA-N -1 3 393.470 3.959 20 0 GHADHM Cc1c[nH]cc1C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000737219450 598693148 /nfs/dbraw/zinc/69/31/48/598693148.db2.gz RGPUULMGGNKNIY-UHFFFAOYSA-N -1 3 390.422 3.798 20 0 GHADHM Cc1c[nH]cc1C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000737219450 598693150 /nfs/dbraw/zinc/69/31/50/598693150.db2.gz RGPUULMGGNKNIY-UHFFFAOYSA-N -1 3 390.422 3.798 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000737355196 598696862 /nfs/dbraw/zinc/69/68/62/598696862.db2.gz BTTDUBHMDJYYFG-NSHDSACASA-N -1 3 389.431 3.714 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000737355196 598696865 /nfs/dbraw/zinc/69/68/65/598696865.db2.gz BTTDUBHMDJYYFG-NSHDSACASA-N -1 3 389.431 3.714 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccnc(-c2ccccc2)c1 ZINC000737946335 598697759 /nfs/dbraw/zinc/69/77/59/598697759.db2.gz BAQIGFPWQPOPGU-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc(-c2ccccc2)c1 ZINC000737946335 598697761 /nfs/dbraw/zinc/69/77/61/598697761.db2.gz BAQIGFPWQPOPGU-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(O)c1 ZINC000737360519 598699331 /nfs/dbraw/zinc/69/93/31/598699331.db2.gz PTNSPQNJESZOLE-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)no1 ZINC000737263822 598704077 /nfs/dbraw/zinc/70/40/77/598704077.db2.gz VRDAOMBDKNFNAT-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM Cc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)no1 ZINC000737263822 598704078 /nfs/dbraw/zinc/70/40/78/598704078.db2.gz VRDAOMBDKNFNAT-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccnc(Oc2ccccc2)c1 ZINC000738235615 598711660 /nfs/dbraw/zinc/71/16/60/598711660.db2.gz ODCNCNABLXRCOO-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccnc(Oc2ccccc2)c1 ZINC000738235615 598711662 /nfs/dbraw/zinc/71/16/62/598711662.db2.gz ODCNCNABLXRCOO-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Clc1cccc(OCCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737576064 598723216 /nfs/dbraw/zinc/72/32/16/598723216.db2.gz SSBCUFRLJZPWLW-UHFFFAOYSA-N -1 3 380.839 3.853 20 0 GHADHM Clc1cccc(OCCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737576064 598723217 /nfs/dbraw/zinc/72/32/17/598723217.db2.gz SSBCUFRLJZPWLW-UHFFFAOYSA-N -1 3 380.839 3.853 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736046773 598724782 /nfs/dbraw/zinc/72/47/82/598724782.db2.gz NDOFECHCUYWEDV-OAHLLOKOSA-N -1 3 398.488 3.607 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCCC1 ZINC000736505490 598730510 /nfs/dbraw/zinc/73/05/10/598730510.db2.gz KCBDEQBUJDHUCA-UHFFFAOYSA-N -1 3 380.399 3.655 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCCC1 ZINC000736505490 598730511 /nfs/dbraw/zinc/73/05/11/598730511.db2.gz KCBDEQBUJDHUCA-UHFFFAOYSA-N -1 3 380.399 3.655 20 0 GHADHM CC[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736331352 598734640 /nfs/dbraw/zinc/73/46/40/598734640.db2.gz JEMNBOMRHWKTMA-KRWDZBQOSA-N -1 3 375.476 3.942 20 0 GHADHM CC[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736331352 598734642 /nfs/dbraw/zinc/73/46/42/598734642.db2.gz JEMNBOMRHWKTMA-KRWDZBQOSA-N -1 3 375.476 3.942 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CCc2ccccc2C1 ZINC000737025120 598741907 /nfs/dbraw/zinc/74/19/07/598741907.db2.gz LTTCEWOLAHOZNL-LBPRGKRZSA-N -1 3 398.850 3.629 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CCc2ccccc2C1 ZINC000737025120 598741909 /nfs/dbraw/zinc/74/19/09/598741909.db2.gz LTTCEWOLAHOZNL-LBPRGKRZSA-N -1 3 398.850 3.629 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2cc(Cl)ccc2[nH]1 ZINC000736138298 598747079 /nfs/dbraw/zinc/74/70/79/598747079.db2.gz QKLBUQVEPMBBSL-ZETCQYMHSA-N -1 3 375.223 3.618 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737355909 598749189 /nfs/dbraw/zinc/74/91/89/598749189.db2.gz MVQSSWSEUFXDTR-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000736633875 598760523 /nfs/dbraw/zinc/76/05/23/598760523.db2.gz FWOIAVKOHKWIKB-UHFFFAOYSA-N -1 3 398.854 3.730 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000736633875 598760524 /nfs/dbraw/zinc/76/05/24/598760524.db2.gz FWOIAVKOHKWIKB-UHFFFAOYSA-N -1 3 398.854 3.730 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000736187279 598762376 /nfs/dbraw/zinc/76/23/76/598762376.db2.gz HMLYCOVQWRSYJZ-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000736187279 598762378 /nfs/dbraw/zinc/76/23/78/598762378.db2.gz HMLYCOVQWRSYJZ-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM CCN(C(=O)C[C@H](C)C(=O)c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503205 598765791 /nfs/dbraw/zinc/76/57/91/598765791.db2.gz TXJYJTFNJPEFNX-HOTGVXAUSA-N -1 3 391.475 3.685 20 0 GHADHM CCN(C(=O)C[C@H](C)C(=O)c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503205 598765793 /nfs/dbraw/zinc/76/57/93/598765793.db2.gz TXJYJTFNJPEFNX-HOTGVXAUSA-N -1 3 391.475 3.685 20 0 GHADHM CC(=O)c1ccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000819833979 607366799 /nfs/dbraw/zinc/36/67/99/607366799.db2.gz KKLJNMVWSVISPC-UHFFFAOYSA-N -1 3 396.476 3.665 20 0 GHADHM CC(=O)c1ccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000819833979 607366801 /nfs/dbraw/zinc/36/68/01/607366801.db2.gz KKLJNMVWSVISPC-UHFFFAOYSA-N -1 3 396.476 3.665 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)C1 ZINC000736261574 598789870 /nfs/dbraw/zinc/78/98/70/598789870.db2.gz KRCOXYPCBAZWKR-HZPDHXFCSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)C1 ZINC000736261574 598789871 /nfs/dbraw/zinc/78/98/71/598789871.db2.gz KRCOXYPCBAZWKR-HZPDHXFCSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1ccc2oc(C(=O)N(CC(C)C)c3ccc(-c4nnn[n-]4)cc3)cc2n1 ZINC000737373361 598790870 /nfs/dbraw/zinc/79/08/70/598790870.db2.gz GNOWZSWCCHUVJW-UHFFFAOYSA-N -1 3 376.420 3.619 20 0 GHADHM Cc1ccc2oc(C(=O)N(CC(C)C)c3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC000737373361 598790872 /nfs/dbraw/zinc/79/08/72/598790872.db2.gz GNOWZSWCCHUVJW-UHFFFAOYSA-N -1 3 376.420 3.619 20 0 GHADHM Clc1ccc(N2CCC(OCCc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737577736 598794987 /nfs/dbraw/zinc/79/49/87/598794987.db2.gz WFTOSSSBESTQRF-UHFFFAOYSA-N -1 3 383.883 3.748 20 0 GHADHM Clc1ccc(N2CCC(OCCc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737577736 598794988 /nfs/dbraw/zinc/79/49/88/598794988.db2.gz WFTOSSSBESTQRF-UHFFFAOYSA-N -1 3 383.883 3.748 20 0 GHADHM O=C(CCCc1ccccn1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737837674 598804302 /nfs/dbraw/zinc/80/43/02/598804302.db2.gz UDMHCYNDRXETOF-UHFFFAOYSA-N -1 3 390.472 3.952 20 0 GHADHM O=C(CCCc1ccccn1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737837674 598804303 /nfs/dbraw/zinc/80/43/03/598804303.db2.gz UDMHCYNDRXETOF-UHFFFAOYSA-N -1 3 390.472 3.952 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735959899 598805046 /nfs/dbraw/zinc/80/50/46/598805046.db2.gz DOTPZYTYJZYKMM-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM FC(F)c1nc2ccccc2c(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000737640452 598816087 /nfs/dbraw/zinc/81/60/87/598816087.db2.gz XKGLCUMEZFNQOV-UHFFFAOYSA-N -1 3 393.401 3.917 20 0 GHADHM FC(F)c1nc2ccccc2c(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000737640452 598816088 /nfs/dbraw/zinc/81/60/88/598816088.db2.gz XKGLCUMEZFNQOV-UHFFFAOYSA-N -1 3 393.401 3.917 20 0 GHADHM CC(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)(c1ccccc1)c1ccccc1 ZINC000735559240 598821120 /nfs/dbraw/zinc/82/11/20/598821120.db2.gz KFPPJMLDXFTCSF-UHFFFAOYSA-N -1 3 387.418 3.951 20 0 GHADHM CC(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)(c1ccccc1)c1ccccc1 ZINC000735559240 598821121 /nfs/dbraw/zinc/82/11/21/598821121.db2.gz KFPPJMLDXFTCSF-UHFFFAOYSA-N -1 3 387.418 3.951 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1N1CCCCC1 ZINC000738152710 598822093 /nfs/dbraw/zinc/82/20/93/598822093.db2.gz YPDYLHHKSWFQIS-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1N1CCCCC1 ZINC000738152710 598822094 /nfs/dbraw/zinc/82/20/94/598822094.db2.gz YPDYLHHKSWFQIS-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1coc2ccccc12 ZINC000735831415 598822340 /nfs/dbraw/zinc/82/23/40/598822340.db2.gz QWBWMUCDHGOWRT-UHFFFAOYSA-N -1 3 375.432 3.911 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1coc2ccccc12 ZINC000735831415 598822341 /nfs/dbraw/zinc/82/23/41/598822341.db2.gz QWBWMUCDHGOWRT-UHFFFAOYSA-N -1 3 375.432 3.911 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736183947 599308262 /nfs/dbraw/zinc/30/82/62/599308262.db2.gz UVKKXEFSRIOBAD-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736183947 599308264 /nfs/dbraw/zinc/30/82/64/599308264.db2.gz UVKKXEFSRIOBAD-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502338 599311113 /nfs/dbraw/zinc/31/11/13/599311113.db2.gz LYGKEAHMHJKCKH-OAHLLOKOSA-N -1 3 393.491 3.985 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502338 599311115 /nfs/dbraw/zinc/31/11/15/599311115.db2.gz LYGKEAHMHJKCKH-OAHLLOKOSA-N -1 3 393.491 3.985 20 0 GHADHM C[C@@H](S[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187510 599327646 /nfs/dbraw/zinc/32/76/46/599327646.db2.gz BHMDLRPOPRQXPG-SJKOYZFVSA-N -1 3 383.452 3.606 20 0 GHADHM C[C@@H](S[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187510 599327649 /nfs/dbraw/zinc/32/76/49/599327649.db2.gz BHMDLRPOPRQXPG-SJKOYZFVSA-N -1 3 383.452 3.606 20 0 GHADHM CCOc1ccc(NC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736647215 599328450 /nfs/dbraw/zinc/32/84/50/599328450.db2.gz MUEFZTNHVIWLDJ-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM CCOc1ccc(NC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736647215 599328452 /nfs/dbraw/zinc/32/84/52/599328452.db2.gz MUEFZTNHVIWLDJ-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM C[C@H](SCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188253 599330026 /nfs/dbraw/zinc/33/00/26/599330026.db2.gz JXTYCZFHJAVCEZ-KBPBESRZSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@H](SCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188253 599330030 /nfs/dbraw/zinc/33/00/30/599330030.db2.gz JXTYCZFHJAVCEZ-KBPBESRZSA-N -1 3 379.489 3.639 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CS[C@H](C)c1nc(-c2ccccc2)no1 ZINC000821749409 607369859 /nfs/dbraw/zinc/36/98/59/607369859.db2.gz KOIKRRDXUOJBMR-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM CC(C)n1cc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000735960206 599343443 /nfs/dbraw/zinc/34/34/43/599343443.db2.gz DXVSGYRHQFUIAO-UHFFFAOYSA-N -1 3 393.476 3.528 20 0 GHADHM CC(C)n1cc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000735960206 599343446 /nfs/dbraw/zinc/34/34/46/599343446.db2.gz DXVSGYRHQFUIAO-UHFFFAOYSA-N -1 3 393.476 3.528 20 0 GHADHM CCc1nnc([C@@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000821516698 599367600 /nfs/dbraw/zinc/36/76/00/599367600.db2.gz AMHYPSSAPXIPRN-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1nnc([C@@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000821516698 599367603 /nfs/dbraw/zinc/36/76/03/599367603.db2.gz AMHYPSSAPXIPRN-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM Cc1cc(O)ccc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822210954 599381042 /nfs/dbraw/zinc/38/10/42/599381042.db2.gz YLFHGWLUQIGHBP-UHFFFAOYSA-N -1 3 386.415 3.877 20 0 GHADHM COc1cc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737045272 599395059 /nfs/dbraw/zinc/39/50/59/599395059.db2.gz HEWBHFWEKFENBO-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1cc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000737045272 599395061 /nfs/dbraw/zinc/39/50/61/599395061.db2.gz HEWBHFWEKFENBO-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820359758 599408844 /nfs/dbraw/zinc/40/88/44/599408844.db2.gz VGTUNAJWXPRADN-DNVCBOLYSA-N -1 3 378.480 3.667 20 0 GHADHM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820359758 599408847 /nfs/dbraw/zinc/40/88/47/599408847.db2.gz VGTUNAJWXPRADN-DNVCBOLYSA-N -1 3 378.480 3.667 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737041511 599409081 /nfs/dbraw/zinc/40/90/81/599409081.db2.gz VUMSBZIFOLQFPZ-CYBMUJFWSA-N -1 3 390.447 3.914 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737041511 599409082 /nfs/dbraw/zinc/40/90/82/599409082.db2.gz VUMSBZIFOLQFPZ-CYBMUJFWSA-N -1 3 390.447 3.914 20 0 GHADHM O=C(COC(=O)C1(c2cccs2)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826414997 607375026 /nfs/dbraw/zinc/37/50/26/607375026.db2.gz OEYSSVCLLASODY-UHFFFAOYSA-N -1 3 396.472 3.556 20 0 GHADHM O=C(COC(=O)C1(c2cccs2)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826414997 607375027 /nfs/dbraw/zinc/37/50/27/607375027.db2.gz OEYSSVCLLASODY-UHFFFAOYSA-N -1 3 396.472 3.556 20 0 GHADHM Cc1ccccc1C1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCOCC1 ZINC000737423675 599416885 /nfs/dbraw/zinc/41/68/85/599416885.db2.gz WCISWHPYVOGFSP-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM Cc1ccccc1C1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCOCC1 ZINC000737423675 599416887 /nfs/dbraw/zinc/41/68/87/599416887.db2.gz WCISWHPYVOGFSP-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM COc1cccc(C2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)c1 ZINC000737129953 599421946 /nfs/dbraw/zinc/42/19/46/599421946.db2.gz OAORJCJRYNVQMW-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1cccc(C2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)c1 ZINC000737129953 599421948 /nfs/dbraw/zinc/42/19/48/599421948.db2.gz OAORJCJRYNVQMW-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM C[C@H](NC(=O)NCCCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367464 599426990 /nfs/dbraw/zinc/42/69/90/599426990.db2.gz UDWQPFHQCPXCRO-ZDUSSCGKSA-N -1 3 384.871 3.513 20 0 GHADHM C[C@H](NC(=O)NCCCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367464 599426993 /nfs/dbraw/zinc/42/69/93/599426993.db2.gz UDWQPFHQCPXCRO-ZDUSSCGKSA-N -1 3 384.871 3.513 20 0 GHADHM Fc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737647530 599428286 /nfs/dbraw/zinc/42/82/86/599428286.db2.gz GBVYAKHHQZZLHH-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737647530 599428288 /nfs/dbraw/zinc/42/82/88/599428288.db2.gz GBVYAKHHQZZLHH-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738383090 599437581 /nfs/dbraw/zinc/43/75/81/599437581.db2.gz OATAIYVLMLGOGV-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738383090 599437585 /nfs/dbraw/zinc/43/75/85/599437585.db2.gz OATAIYVLMLGOGV-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM C[C@@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357280 599449785 /nfs/dbraw/zinc/44/97/85/599449785.db2.gz FJWYKGYONYOMIT-YAJMATIESA-N -1 3 396.882 3.827 20 0 GHADHM C[C@@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357280 599449787 /nfs/dbraw/zinc/44/97/87/599449787.db2.gz FJWYKGYONYOMIT-YAJMATIESA-N -1 3 396.882 3.827 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113967 599453032 /nfs/dbraw/zinc/45/30/32/599453032.db2.gz TXIIMALDCDEJOH-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113967 599453036 /nfs/dbraw/zinc/45/30/36/599453036.db2.gz TXIIMALDCDEJOH-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820108527 599460876 /nfs/dbraw/zinc/46/08/76/599460876.db2.gz MAQSPWBANPGULM-AWEZNQCLSA-N -1 3 396.470 3.765 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820108527 599460879 /nfs/dbraw/zinc/46/08/79/599460879.db2.gz MAQSPWBANPGULM-AWEZNQCLSA-N -1 3 396.470 3.765 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736122855 599465062 /nfs/dbraw/zinc/46/50/62/599465062.db2.gz MKHYFXRMWMRPNU-LBPRGKRZSA-N -1 3 392.444 3.607 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736122855 599465063 /nfs/dbraw/zinc/46/50/63/599465063.db2.gz MKHYFXRMWMRPNU-LBPRGKRZSA-N -1 3 392.444 3.607 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)s1 ZINC000820919432 599466154 /nfs/dbraw/zinc/46/61/54/599466154.db2.gz BSUNDDDUSWVBJH-GFCCVEGCSA-N -1 3 394.863 3.671 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)s1 ZINC000820919432 599466155 /nfs/dbraw/zinc/46/61/55/599466155.db2.gz BSUNDDDUSWVBJH-GFCCVEGCSA-N -1 3 394.863 3.671 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1Br ZINC000821777347 599467153 /nfs/dbraw/zinc/46/71/53/599467153.db2.gz DOYIJSVDHMRJKN-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1Br ZINC000821777347 599467155 /nfs/dbraw/zinc/46/71/55/599467155.db2.gz DOYIJSVDHMRJKN-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822303490 599467191 /nfs/dbraw/zinc/46/71/91/599467191.db2.gz CJMVUXVOJNIFGF-UHFFFAOYSA-N -1 3 396.470 3.682 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822303490 599467193 /nfs/dbraw/zinc/46/71/93/599467193.db2.gz CJMVUXVOJNIFGF-UHFFFAOYSA-N -1 3 396.470 3.682 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233423 599482079 /nfs/dbraw/zinc/48/20/79/599482079.db2.gz OPYYETZHKSWZAN-HNAYVOBHSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233423 599482081 /nfs/dbraw/zinc/48/20/81/599482081.db2.gz OPYYETZHKSWZAN-HNAYVOBHSA-N -1 3 376.464 3.783 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820349831 599483142 /nfs/dbraw/zinc/48/31/42/599483142.db2.gz IYQXOORMGMCPNG-AUUYWEPGSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820349831 599483144 /nfs/dbraw/zinc/48/31/44/599483144.db2.gz IYQXOORMGMCPNG-AUUYWEPGSA-N -1 3 396.470 3.633 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112836 599492831 /nfs/dbraw/zinc/49/28/31/599492831.db2.gz VFMNCGZYCHQHFB-SUNYJGFJSA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112836 599492835 /nfs/dbraw/zinc/49/28/35/599492835.db2.gz VFMNCGZYCHQHFB-SUNYJGFJSA-N -1 3 394.454 3.654 20 0 GHADHM Cc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737434531 599504823 /nfs/dbraw/zinc/50/48/23/599504823.db2.gz HDXLWCQWZJVVBL-ZDUSSCGKSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737434531 599504825 /nfs/dbraw/zinc/50/48/25/599504825.db2.gz HDXLWCQWZJVVBL-ZDUSSCGKSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1ccc(SCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822266507 599507750 /nfs/dbraw/zinc/50/77/50/599507750.db2.gz BOVVAJUJIWSDNJ-OAHLLOKOSA-N -1 3 381.505 3.843 20 0 GHADHM Cc1ccc(SCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822266507 599507751 /nfs/dbraw/zinc/50/77/51/599507751.db2.gz BOVVAJUJIWSDNJ-OAHLLOKOSA-N -1 3 381.505 3.843 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCc2[nH]c3ccccc3c2C1 ZINC000737627946 599519093 /nfs/dbraw/zinc/51/90/93/599519093.db2.gz SBPCQGRJJXCAPM-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM Fc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CCO2)c1 ZINC000737669072 599525755 /nfs/dbraw/zinc/52/57/55/599525755.db2.gz YZWQSLAHMOQDRN-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000737149176 599537456 /nfs/dbraw/zinc/53/74/56/599537456.db2.gz XAUTUDKYGJFRFM-LBPRGKRZSA-N -1 3 389.381 3.888 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000737149176 599537457 /nfs/dbraw/zinc/53/74/57/599537457.db2.gz XAUTUDKYGJFRFM-LBPRGKRZSA-N -1 3 389.381 3.888 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155285019 599538402 /nfs/dbraw/zinc/53/84/02/599538402.db2.gz BNTIFDWKSRMQAH-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155285019 599538405 /nfs/dbraw/zinc/53/84/05/599538405.db2.gz BNTIFDWKSRMQAH-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000821134057 599557192 /nfs/dbraw/zinc/55/71/92/599557192.db2.gz MFDZZVLOOYECSN-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000821134057 599557194 /nfs/dbraw/zinc/55/71/94/599557194.db2.gz MFDZZVLOOYECSN-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM Cc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000822229034 599568336 /nfs/dbraw/zinc/56/83/36/599568336.db2.gz KUPRCDGVKAWEBB-OAHLLOKOSA-N -1 3 389.463 3.727 20 0 GHADHM Fc1ccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(-c2nnn[n-]2)c1 ZINC000822779333 607384372 /nfs/dbraw/zinc/38/43/72/607384372.db2.gz VOQUWTSTBUKLKR-SECBINFHSA-N -1 3 398.389 3.865 20 0 GHADHM Fc1ccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(-c2nn[n-]n2)c1 ZINC000822779333 607384373 /nfs/dbraw/zinc/38/43/73/607384373.db2.gz VOQUWTSTBUKLKR-SECBINFHSA-N -1 3 398.389 3.865 20 0 GHADHM CC(C)OCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735903984 599606750 /nfs/dbraw/zinc/60/67/50/599606750.db2.gz JVTHUIDRQRSHTO-UHFFFAOYSA-N -1 3 381.436 3.582 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c(-c2nnn[n-]2)c1C ZINC000822557864 599628764 /nfs/dbraw/zinc/62/87/64/599628764.db2.gz KHALBEHIERLRCG-YWZLYKJASA-N -1 3 379.489 3.778 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c(-c2nn[n-]n2)c1C ZINC000822557864 599628765 /nfs/dbraw/zinc/62/87/65/599628765.db2.gz KHALBEHIERLRCG-YWZLYKJASA-N -1 3 379.489 3.778 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820938892 599629383 /nfs/dbraw/zinc/62/93/83/599629383.db2.gz OFRNJZQFFNBJDX-AHRSYUTCSA-N -1 3 399.539 3.978 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820938892 599629384 /nfs/dbraw/zinc/62/93/84/599629384.db2.gz OFRNJZQFFNBJDX-AHRSYUTCSA-N -1 3 399.539 3.978 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000821100116 599629456 /nfs/dbraw/zinc/62/94/56/599629456.db2.gz UDRFYTNOTBCYFI-VDGAXYAQSA-N -1 3 399.539 3.979 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000821100116 599629457 /nfs/dbraw/zinc/62/94/57/599629457.db2.gz UDRFYTNOTBCYFI-VDGAXYAQSA-N -1 3 399.539 3.979 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820937977 599629459 /nfs/dbraw/zinc/62/94/59/599629459.db2.gz GAAZHEAQFZVMER-KFNAQCHYSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820937977 599629460 /nfs/dbraw/zinc/62/94/60/599629460.db2.gz GAAZHEAQFZVMER-KFNAQCHYSA-N -1 3 377.876 3.833 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(Br)c2C)s1 ZINC000821465188 599630393 /nfs/dbraw/zinc/63/03/93/599630393.db2.gz DIIMHQTXRVGBEZ-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(Br)c2C)s1 ZINC000821465188 599630394 /nfs/dbraw/zinc/63/03/94/599630394.db2.gz DIIMHQTXRVGBEZ-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000822234935 599632712 /nfs/dbraw/zinc/63/27/12/599632712.db2.gz MEHASCCUMQQPBR-UHFFFAOYSA-N -1 3 375.354 3.684 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000822234935 599632713 /nfs/dbraw/zinc/63/27/13/599632713.db2.gz MEHASCCUMQQPBR-UHFFFAOYSA-N -1 3 375.354 3.684 20 0 GHADHM Cc1ccccc1N(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000822361648 599637843 /nfs/dbraw/zinc/63/78/43/599637843.db2.gz DTPHTJJUMTZMFT-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1ccccc1N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000822361648 599637844 /nfs/dbraw/zinc/63/78/44/599637844.db2.gz DTPHTJJUMTZMFT-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000822241096 599638937 /nfs/dbraw/zinc/63/89/37/599638937.db2.gz KYGDEYONTZZMBJ-UHFFFAOYSA-N -1 3 381.827 3.515 20 0 GHADHM Cc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000822241096 599638938 /nfs/dbraw/zinc/63/89/38/599638938.db2.gz KYGDEYONTZZMBJ-UHFFFAOYSA-N -1 3 381.827 3.515 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000821700077 599646583 /nfs/dbraw/zinc/64/65/83/599646583.db2.gz CCXSCPXBWAGEPW-LLVKDONJSA-N -1 3 396.382 3.513 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000821700077 599646584 /nfs/dbraw/zinc/64/65/84/599646584.db2.gz CCXSCPXBWAGEPW-LLVKDONJSA-N -1 3 396.382 3.513 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccncc1Cl ZINC000823357474 599649274 /nfs/dbraw/zinc/64/92/74/599649274.db2.gz VZSQIVHHRDYREV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccncc1Cl ZINC000823357474 599649275 /nfs/dbraw/zinc/64/92/75/599649275.db2.gz VZSQIVHHRDYREV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(OCCOCC1CC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823405055 599649348 /nfs/dbraw/zinc/64/93/48/599649348.db2.gz HMVFKMJQWOLPBX-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OCCOCC1CC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823405055 599649349 /nfs/dbraw/zinc/64/93/49/599649349.db2.gz HMVFKMJQWOLPBX-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820965908 599655847 /nfs/dbraw/zinc/65/58/47/599655847.db2.gz AKLCGUCGYRLIHL-YJBOKZPZSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820965908 599655848 /nfs/dbraw/zinc/65/58/48/599655848.db2.gz AKLCGUCGYRLIHL-YJBOKZPZSA-N -1 3 391.475 3.706 20 0 GHADHM FC(F)(F)C1CCC(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000822714939 599664207 /nfs/dbraw/zinc/66/42/07/599664207.db2.gz WPDDDMZCQAWWTB-UHFFFAOYSA-N -1 3 384.431 3.522 20 0 GHADHM FC(F)(F)C1CCC(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000822714939 599664208 /nfs/dbraw/zinc/66/42/08/599664208.db2.gz WPDDDMZCQAWWTB-UHFFFAOYSA-N -1 3 384.431 3.522 20 0 GHADHM CCCCCC[C@@H](C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821048946 599665077 /nfs/dbraw/zinc/66/50/77/599665077.db2.gz GYYUMWZXEMLXQE-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCCC[C@@H](C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821048946 599665078 /nfs/dbraw/zinc/66/50/78/599665078.db2.gz GYYUMWZXEMLXQE-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820914932 599668037 /nfs/dbraw/zinc/66/80/37/599668037.db2.gz SFEFEJVRMQVYAO-HXUWFJFHSA-N -1 3 392.507 3.728 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820914932 599668038 /nfs/dbraw/zinc/66/80/38/599668038.db2.gz SFEFEJVRMQVYAO-HXUWFJFHSA-N -1 3 392.507 3.728 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822232825 599669272 /nfs/dbraw/zinc/66/92/72/599669272.db2.gz BRJSHXBAXVTWSA-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822232825 599669273 /nfs/dbraw/zinc/66/92/73/599669273.db2.gz BRJSHXBAXVTWSA-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000819965350 599671127 /nfs/dbraw/zinc/67/11/27/599671127.db2.gz CPIPZFGZDPMGRD-ALCCZGGFSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000819965350 599671128 /nfs/dbraw/zinc/67/11/28/599671128.db2.gz CPIPZFGZDPMGRD-ALCCZGGFSA-N -1 3 387.440 3.516 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820967899 599675813 /nfs/dbraw/zinc/67/58/13/599675813.db2.gz XYXDVTXYQXPBRS-XJKSGUPXSA-N -1 3 396.520 3.925 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000822234678 599677959 /nfs/dbraw/zinc/67/79/59/599677959.db2.gz DQAOMONSCSCRBC-OAHLLOKOSA-N -1 3 396.495 3.709 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000822234678 599677960 /nfs/dbraw/zinc/67/79/60/599677960.db2.gz DQAOMONSCSCRBC-OAHLLOKOSA-N -1 3 396.495 3.709 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820077053 599679302 /nfs/dbraw/zinc/67/93/02/599679302.db2.gz ZEPTVOQAKWOISV-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820077053 599679303 /nfs/dbraw/zinc/67/93/03/599679303.db2.gz ZEPTVOQAKWOISV-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822232890 599679610 /nfs/dbraw/zinc/67/96/10/599679610.db2.gz DAGIIQRWBKQFIP-SJKOYZFVSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822232890 599679611 /nfs/dbraw/zinc/67/96/11/599679611.db2.gz DAGIIQRWBKQFIP-SJKOYZFVSA-N -1 3 398.442 3.590 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340262 599680727 /nfs/dbraw/zinc/68/07/27/599680727.db2.gz JFMMPLHEPHSVTH-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340262 599680728 /nfs/dbraw/zinc/68/07/28/599680728.db2.gz JFMMPLHEPHSVTH-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233108 599680952 /nfs/dbraw/zinc/68/09/52/599680952.db2.gz IBPSPOQRYMKSSM-YOEHRIQHSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233108 599680953 /nfs/dbraw/zinc/68/09/53/599680953.db2.gz IBPSPOQRYMKSSM-YOEHRIQHSA-N -1 3 380.452 3.766 20 0 GHADHM CCN(Cc1nc([C@@H](C)OCC(C)C)no1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230771 599683987 /nfs/dbraw/zinc/68/39/87/599683987.db2.gz QUNWLMOAKXXLQK-HUUCEWRRSA-N -1 3 399.499 3.566 20 0 GHADHM CCN(Cc1nc([C@@H](C)OCC(C)C)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230771 599683988 /nfs/dbraw/zinc/68/39/88/599683988.db2.gz QUNWLMOAKXXLQK-HUUCEWRRSA-N -1 3 399.499 3.566 20 0 GHADHM C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820506444 599684197 /nfs/dbraw/zinc/68/41/97/599684197.db2.gz ADMIUQSRTBZIKE-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820506444 599684198 /nfs/dbraw/zinc/68/41/98/599684198.db2.gz ADMIUQSRTBZIKE-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820248983 599689378 /nfs/dbraw/zinc/68/93/78/599689378.db2.gz QHABCILTZUYTII-CYBMUJFWSA-N -1 3 397.504 3.851 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820248983 599689379 /nfs/dbraw/zinc/68/93/79/599689379.db2.gz QHABCILTZUYTII-CYBMUJFWSA-N -1 3 397.504 3.851 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c[nH]c2c1 ZINC000822275156 599690201 /nfs/dbraw/zinc/69/02/01/599690201.db2.gz OJITVSJNWULGBT-UHFFFAOYSA-N -1 3 391.479 3.784 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c[nH]c2c1 ZINC000822275156 599690202 /nfs/dbraw/zinc/69/02/02/599690202.db2.gz OJITVSJNWULGBT-UHFFFAOYSA-N -1 3 391.479 3.784 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CCn1cccc1 ZINC000822211776 599697890 /nfs/dbraw/zinc/69/78/90/599697890.db2.gz OBORXWOZIIGOQH-UHFFFAOYSA-N -1 3 388.431 3.798 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CCn1cccc1 ZINC000822211776 599697891 /nfs/dbraw/zinc/69/78/91/599697891.db2.gz OBORXWOZIIGOQH-UHFFFAOYSA-N -1 3 388.431 3.798 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825074975 607392812 /nfs/dbraw/zinc/39/28/12/607392812.db2.gz MCTBXYOORIOSNF-AWEZNQCLSA-N -1 3 392.463 3.855 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825074975 607392813 /nfs/dbraw/zinc/39/28/13/607392813.db2.gz MCTBXYOORIOSNF-AWEZNQCLSA-N -1 3 392.463 3.855 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000822399248 607393631 /nfs/dbraw/zinc/39/36/31/607393631.db2.gz DBRLWXBUEGRDRD-CMDGGOBGSA-N -1 3 394.504 3.943 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000822399248 607393633 /nfs/dbraw/zinc/39/36/33/607393633.db2.gz DBRLWXBUEGRDRD-CMDGGOBGSA-N -1 3 394.504 3.943 20 0 GHADHM O=C([C@H]1CCCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822918076 607396276 /nfs/dbraw/zinc/39/62/76/607396276.db2.gz ZIWQLAMLLFFCHE-GOSISDBHSA-N -1 3 397.866 3.622 20 0 GHADHM O=C([C@H]1CCCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822918076 607396278 /nfs/dbraw/zinc/39/62/78/607396278.db2.gz ZIWQLAMLLFFCHE-GOSISDBHSA-N -1 3 397.866 3.622 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(Cc2ccccc2)n1 ZINC000826254387 607405622 /nfs/dbraw/zinc/40/56/22/607405622.db2.gz IUNOMYDGXHJGFT-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(Cc2ccccc2)n1 ZINC000826254387 607405624 /nfs/dbraw/zinc/40/56/24/607405624.db2.gz IUNOMYDGXHJGFT-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM COc1cccc2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)oc21 ZINC000821877267 607407474 /nfs/dbraw/zinc/40/74/74/607407474.db2.gz FXZHZJZQQBFLCE-UHFFFAOYSA-N -1 3 393.403 3.661 20 0 GHADHM COc1cccc2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)oc21 ZINC000821877267 607407477 /nfs/dbraw/zinc/40/74/77/607407477.db2.gz FXZHZJZQQBFLCE-UHFFFAOYSA-N -1 3 393.403 3.661 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(C)n1CC(F)(F)F ZINC000826253983 607408416 /nfs/dbraw/zinc/40/84/16/607408416.db2.gz NUXQYMGQXQUNMS-UHFFFAOYSA-N -1 3 393.369 3.513 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(C)n1CC(F)(F)F ZINC000826253983 607408417 /nfs/dbraw/zinc/40/84/17/607408417.db2.gz NUXQYMGQXQUNMS-UHFFFAOYSA-N -1 3 393.369 3.513 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(Cl)c1Cl ZINC000821749611 607411139 /nfs/dbraw/zinc/41/11/39/607411139.db2.gz UQKFMFVIYCNYGL-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(Cl)c1Cl ZINC000821749611 607411140 /nfs/dbraw/zinc/41/11/40/607411140.db2.gz UQKFMFVIYCNYGL-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM CC(C)(C)CCN1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736249211 600019749 /nfs/dbraw/zinc/01/97/49/600019749.db2.gz SEJVPCMZLSFLAH-UHFFFAOYSA-N -1 3 393.553 3.590 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820165927 607427035 /nfs/dbraw/zinc/42/70/35/607427035.db2.gz RZGTUEZJHFDRFS-GOSISDBHSA-N -1 3 392.463 3.805 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820165927 607427037 /nfs/dbraw/zinc/42/70/37/607427037.db2.gz RZGTUEZJHFDRFS-GOSISDBHSA-N -1 3 392.463 3.805 20 0 GHADHM CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737447634 600212673 /nfs/dbraw/zinc/21/26/73/600212673.db2.gz CIDYIRKFCBICOB-UPCLLVRISA-N -1 3 386.300 3.859 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000736465378 600219254 /nfs/dbraw/zinc/21/92/54/600219254.db2.gz AWJHZMZVPIGDJX-JOCHJYFZSA-N -1 3 386.467 3.559 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826423187 607429309 /nfs/dbraw/zinc/42/93/09/607429309.db2.gz BYPYEAFPCMZLGT-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826423187 607429310 /nfs/dbraw/zinc/42/93/10/607429310.db2.gz BYPYEAFPCMZLGT-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000736633024 600287895 /nfs/dbraw/zinc/28/78/95/600287895.db2.gz IXNINPIXJIOBTR-FTRWYGJKSA-N -1 3 380.488 3.592 20 0 GHADHM CN(C(=O)COc1ccc(Cl)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825818002 607441937 /nfs/dbraw/zinc/44/19/37/607441937.db2.gz SBDJZTLWXAPMSE-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM CN(C(=O)COc1ccc(Cl)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825818002 607441938 /nfs/dbraw/zinc/44/19/38/607441938.db2.gz SBDJZTLWXAPMSE-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)cc1 ZINC000426809362 600430102 /nfs/dbraw/zinc/43/01/02/600430102.db2.gz UUGNTPIVYCMGPU-KRWDZBQOSA-N -1 3 393.340 3.946 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000826244569 607443932 /nfs/dbraw/zinc/44/39/32/607443932.db2.gz XEQZLJPVAQUZGV-UHFFFAOYSA-N -1 3 377.782 3.740 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000826244569 607443934 /nfs/dbraw/zinc/44/39/34/607443934.db2.gz XEQZLJPVAQUZGV-UHFFFAOYSA-N -1 3 377.782 3.740 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429897 607448490 /nfs/dbraw/zinc/44/84/90/607448490.db2.gz PHIGTIFXYNQUBZ-RLFYNMQTSA-N -1 3 380.496 3.514 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429897 607448492 /nfs/dbraw/zinc/44/84/92/607448492.db2.gz PHIGTIFXYNQUBZ-RLFYNMQTSA-N -1 3 380.496 3.514 20 0 GHADHM CN(Cc1ccco1)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000830860771 600752818 /nfs/dbraw/zinc/75/28/18/600752818.db2.gz XWMUTSPKEJGTBG-OAQYLSRUSA-N -1 3 382.435 3.966 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3C)co2)cc1 ZINC000821400565 607466280 /nfs/dbraw/zinc/46/62/80/607466280.db2.gz LNLZEGARWUFGGM-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM CN(C)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000737370643 600801895 /nfs/dbraw/zinc/80/18/95/600801895.db2.gz OHXLNRALLWGGHE-FQEVSTJZSA-N -1 3 382.504 3.992 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000828284448 600834602 /nfs/dbraw/zinc/83/46/02/600834602.db2.gz FURLWYRTDRNYLR-YESZJQIVSA-N -1 3 378.538 3.528 20 0 GHADHM COc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c(OC2CCCC2)c1 ZINC000821817880 607486266 /nfs/dbraw/zinc/48/62/66/607486266.db2.gz AGDILTJPPIPIGR-UHFFFAOYSA-N -1 3 397.454 3.626 20 0 GHADHM COc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(OC2CCCC2)c1 ZINC000821817880 607486267 /nfs/dbraw/zinc/48/62/67/607486267.db2.gz AGDILTJPPIPIGR-UHFFFAOYSA-N -1 3 397.454 3.626 20 0 GHADHM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000833180076 601088676 /nfs/dbraw/zinc/08/86/76/601088676.db2.gz UAAABOUKVOBGLB-LEWJYISDSA-N -1 3 384.520 3.778 20 0 GHADHM Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000832944764 601146081 /nfs/dbraw/zinc/14/60/81/601146081.db2.gz LTMMPNRTALQSFN-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)s1 ZINC000820206770 607494298 /nfs/dbraw/zinc/49/42/98/607494298.db2.gz ZZWSQDBSMJFSDT-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)s1 ZINC000820206770 607494301 /nfs/dbraw/zinc/49/43/01/607494301.db2.gz ZZWSQDBSMJFSDT-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832000338 601203263 /nfs/dbraw/zinc/20/32/63/601203263.db2.gz NXMABKDGYXDRIU-BFUOFWGJSA-N -1 3 390.867 3.647 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000826054738 601205954 /nfs/dbraw/zinc/20/59/54/601205954.db2.gz PUNHLULKZCWLAA-ZBEGNZNMSA-N -1 3 381.259 3.984 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(-c2noc(C3CC3)n2)c1 ZINC000822744219 607491696 /nfs/dbraw/zinc/49/16/96/607491696.db2.gz OQNKOYHRYLQQQD-UHFFFAOYSA-N -1 3 377.383 3.545 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(-c2noc(C3CC3)n2)c1 ZINC000822744219 607491699 /nfs/dbraw/zinc/49/16/99/607491699.db2.gz OQNKOYHRYLQQQD-UHFFFAOYSA-N -1 3 377.383 3.545 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820291966 607499135 /nfs/dbraw/zinc/49/91/35/607499135.db2.gz BEJNONAOHGPHOD-CABCVRRESA-N -1 3 381.505 3.613 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820291966 607499137 /nfs/dbraw/zinc/49/91/37/607499137.db2.gz BEJNONAOHGPHOD-CABCVRRESA-N -1 3 381.505 3.613 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823963102 607508849 /nfs/dbraw/zinc/50/88/49/607508849.db2.gz VKQMITAMUWXXHM-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823963102 607508851 /nfs/dbraw/zinc/50/88/51/607508851.db2.gz VKQMITAMUWXXHM-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM COC[C@](C)(CC(=O)[O-])NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000831579067 601490797 /nfs/dbraw/zinc/49/07/97/601490797.db2.gz UNVASWPMSVUIQU-KRWDZBQOSA-N -1 3 382.254 3.679 20 0 GHADHM C[C@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1C(=O)[O-] ZINC000828465954 601517302 /nfs/dbraw/zinc/51/73/02/601517302.db2.gz ZFHCVFTXQGYKIC-IINYFYTJSA-N -1 3 381.295 3.725 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833030958 601619975 /nfs/dbraw/zinc/61/99/75/601619975.db2.gz BZAVRBKKYQIJHN-GFCCVEGCSA-N -1 3 393.896 3.654 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1ccccc1 ZINC000826044799 601655343 /nfs/dbraw/zinc/65/53/43/601655343.db2.gz LQQRFUWKTIEZML-HTAPYJJXSA-N -1 3 392.455 3.864 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000830923392 601697116 /nfs/dbraw/zinc/69/71/16/601697116.db2.gz IQRVMFAMFANKHN-UHFFFAOYSA-N -1 3 385.439 3.652 20 0 GHADHM COc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000826194767 607523840 /nfs/dbraw/zinc/52/38/40/607523840.db2.gz VURZSHWMUCRJPJ-QGZVFWFLSA-N -1 3 390.447 3.744 20 0 GHADHM COc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000826194767 607523841 /nfs/dbraw/zinc/52/38/41/607523841.db2.gz VURZSHWMUCRJPJ-QGZVFWFLSA-N -1 3 390.447 3.744 20 0 GHADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000827735009 601831175 /nfs/dbraw/zinc/83/11/75/601831175.db2.gz OGGSMWDNKDPDRR-ZDUSSCGKSA-N -1 3 381.407 3.955 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1OC ZINC000830054306 601869748 /nfs/dbraw/zinc/86/97/48/601869748.db2.gz ZYUWWXPXRSQJKA-INIZCTEOSA-N -1 3 378.494 3.806 20 0 GHADHM CN(C)Cc1ccccc1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830620032 601955954 /nfs/dbraw/zinc/95/59/54/601955954.db2.gz OJRHDYZXVNAWFO-UHFFFAOYSA-N -1 3 395.381 3.787 20 0 GHADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000833172655 602043213 /nfs/dbraw/zinc/04/32/13/602043213.db2.gz VTQCNKAOFHXQTL-ZBEGNZNMSA-N -1 3 395.290 3.536 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177148 602043375 /nfs/dbraw/zinc/04/33/75/602043375.db2.gz OHOSBTMMACLHEF-OXQOHEQNSA-N -1 3 395.503 3.833 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc(Br)c2)C(=O)[O-])c1 ZINC000832048795 602165498 /nfs/dbraw/zinc/16/54/98/602165498.db2.gz ANWXNKOPADDLQZ-APPDUMDISA-N -1 3 394.265 3.943 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c(C(F)(F)F)c1 ZINC000832056468 602170267 /nfs/dbraw/zinc/17/02/67/602170267.db2.gz CXHQAHXPIHLUQZ-QGZVFWFLSA-N -1 3 399.365 3.647 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)ccc21 ZINC000740406996 602281665 /nfs/dbraw/zinc/28/16/65/602281665.db2.gz ZBIRMQVPGZXOFX-HXUWFJFHSA-N -1 3 394.475 3.686 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828901617 602344397 /nfs/dbraw/zinc/34/43/97/602344397.db2.gz YCZRFMDMASDPAV-KRWDZBQOSA-N -1 3 379.460 3.877 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830876205 603173796 /nfs/dbraw/zinc/17/37/96/603173796.db2.gz XCSYIWNJKJDODM-ALOPSCKCSA-N -1 3 388.899 3.656 20 0 GHADHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739731369 603212864 /nfs/dbraw/zinc/21/28/64/603212864.db2.gz JWUQKNABTQDTPR-UHFFFAOYSA-N -1 3 391.855 3.760 20 0 GHADHM O=C([O-])N1CCc2c(cccc2NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000740473774 603220232 /nfs/dbraw/zinc/22/02/32/603220232.db2.gz KLQFFGQHKSRYGV-UHFFFAOYSA-N -1 3 379.460 3.571 20 0 GHADHM CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825139161 607643981 /nfs/dbraw/zinc/64/39/81/607643981.db2.gz CLZYHHFOUCKLLH-INIZCTEOSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825139161 607643983 /nfs/dbraw/zinc/64/39/83/607643983.db2.gz CLZYHHFOUCKLLH-INIZCTEOSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@H](NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccs1 ZINC000825139731 607647878 /nfs/dbraw/zinc/64/78/78/607647878.db2.gz HJWMTQNIVGIWML-AWEZNQCLSA-N -1 3 384.534 3.533 20 0 GHADHM CC[C@H](NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccs1 ZINC000825139731 607647880 /nfs/dbraw/zinc/64/78/80/607647880.db2.gz HJWMTQNIVGIWML-AWEZNQCLSA-N -1 3 384.534 3.533 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000828030350 603810549 /nfs/dbraw/zinc/81/05/49/603810549.db2.gz HKGBHTDFKNCIKR-UHFFFAOYSA-N -1 3 380.445 3.573 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccsc1 ZINC000827034698 603840394 /nfs/dbraw/zinc/84/03/94/603840394.db2.gz DNXAEXCIWIXACM-ONQFOCNCSA-N -1 3 393.553 3.558 20 0 GHADHM O=C(CSc1nc2ccccc2n1C(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826420759 607656792 /nfs/dbraw/zinc/65/67/92/607656792.db2.gz AVSUWOITCHCIRY-UHFFFAOYSA-N -1 3 386.387 3.587 20 0 GHADHM O=C(CSc1nc2ccccc2n1C(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826420759 607656794 /nfs/dbraw/zinc/65/67/94/607656794.db2.gz AVSUWOITCHCIRY-UHFFFAOYSA-N -1 3 386.387 3.587 20 0 GHADHM O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421526 607657722 /nfs/dbraw/zinc/65/77/22/607657722.db2.gz MFSFYGLVUMTFHG-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421526 607657723 /nfs/dbraw/zinc/65/77/23/607657723.db2.gz MFSFYGLVUMTFHG-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM Cc1cc(Cl)cc2nc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)oc21 ZINC000826267372 607658636 /nfs/dbraw/zinc/65/86/36/607658636.db2.gz CJJJLUHITLZUQA-UHFFFAOYSA-N -1 3 385.836 3.945 20 0 GHADHM Cc1cc(Cl)cc2nc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)oc21 ZINC000826267372 607658638 /nfs/dbraw/zinc/65/86/38/607658638.db2.gz CJJJLUHITLZUQA-UHFFFAOYSA-N -1 3 385.836 3.945 20 0 GHADHM O=C(CSc1nnc(CCC2CCCCC2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421682 607658928 /nfs/dbraw/zinc/65/89/28/607658928.db2.gz UEVSLHXTVLGPJT-UHFFFAOYSA-N -1 3 398.492 3.738 20 0 GHADHM O=C(CSc1nnc(CCC2CCCCC2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421682 607658930 /nfs/dbraw/zinc/65/89/30/607658930.db2.gz UEVSLHXTVLGPJT-UHFFFAOYSA-N -1 3 398.492 3.738 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059738 607664553 /nfs/dbraw/zinc/66/45/53/607664553.db2.gz JNJBQPWXTDNGDL-KZULUSFZSA-N -1 3 389.463 3.569 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059738 607664555 /nfs/dbraw/zinc/66/45/55/607664555.db2.gz JNJBQPWXTDNGDL-KZULUSFZSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000826250749 607671634 /nfs/dbraw/zinc/67/16/34/607671634.db2.gz PZVJPHCEHBYDFU-UHFFFAOYSA-N -1 3 394.435 3.632 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000826250749 607671636 /nfs/dbraw/zinc/67/16/36/607671636.db2.gz PZVJPHCEHBYDFU-UHFFFAOYSA-N -1 3 394.435 3.632 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cccc(-c3ccccn3)c2)n1 ZINC000826368245 607679206 /nfs/dbraw/zinc/67/92/06/607679206.db2.gz ISQTXBYXJPJQPC-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cccc(-c3ccccn3)c2)n1 ZINC000826368245 607679207 /nfs/dbraw/zinc/67/92/07/607679207.db2.gz ISQTXBYXJPJQPC-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000826246639 607687549 /nfs/dbraw/zinc/68/75/49/607687549.db2.gz IHUXNJPEVOILHI-GFCCVEGCSA-N -1 3 389.381 3.555 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000826246639 607687551 /nfs/dbraw/zinc/68/75/51/607687551.db2.gz IHUXNJPEVOILHI-GFCCVEGCSA-N -1 3 389.381 3.555 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2cccs2)cc1 ZINC000824347772 607688316 /nfs/dbraw/zinc/68/83/16/607688316.db2.gz NHAYOSXVOJGYFW-GOSISDBHSA-N -1 3 392.488 3.899 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2cccs2)cc1 ZINC000824347772 607688319 /nfs/dbraw/zinc/68/83/19/607688319.db2.gz NHAYOSXVOJGYFW-GOSISDBHSA-N -1 3 392.488 3.899 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826283548 607693769 /nfs/dbraw/zinc/69/37/69/607693769.db2.gz TZJDEHBPIBQXDX-UHFFFAOYSA-N -1 3 393.491 3.726 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283548 607693771 /nfs/dbraw/zinc/69/37/71/607693771.db2.gz TZJDEHBPIBQXDX-UHFFFAOYSA-N -1 3 393.491 3.726 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000833544697 604520637 /nfs/dbraw/zinc/52/06/37/604520637.db2.gz ZEJHNIDDZIIPJM-KXBFYZLASA-N -1 3 383.444 3.647 20 0 GHADHM c1cc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cs2)cs1 ZINC000826513290 607705169 /nfs/dbraw/zinc/70/51/69/607705169.db2.gz HBQMPBYFQQDXCA-UHFFFAOYSA-N -1 3 380.502 3.831 20 0 GHADHM CCO[C@H]1C[C@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCCC2 ZINC000833661075 604663737 /nfs/dbraw/zinc/66/37/37/604663737.db2.gz RZZWNSZOGDMAFD-OALUTQOASA-N -1 3 377.529 3.534 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCCC2 ZINC000833661077 604663996 /nfs/dbraw/zinc/66/39/96/604663996.db2.gz RZZWNSZOGDMAFD-RBUKOAKNSA-N -1 3 377.529 3.534 20 0 GHADHM CCSc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000825674811 607711608 /nfs/dbraw/zinc/71/16/08/607711608.db2.gz SDYYEOBJUFEVDA-UHFFFAOYSA-N -1 3 395.532 3.958 20 0 GHADHM CCSc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000825674811 607711609 /nfs/dbraw/zinc/71/16/09/607711609.db2.gz SDYYEOBJUFEVDA-UHFFFAOYSA-N -1 3 395.532 3.958 20 0 GHADHM Fc1cccc(F)c1-n1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826372250 607713549 /nfs/dbraw/zinc/71/35/49/607713549.db2.gz OJGUXPNDUSJFAG-UHFFFAOYSA-N -1 3 388.378 3.762 20 0 GHADHM Fc1cccc(F)c1-n1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826372250 607713551 /nfs/dbraw/zinc/71/35/51/607713551.db2.gz OJGUXPNDUSJFAG-UHFFFAOYSA-N -1 3 388.378 3.762 20 0 GHADHM COc1cc(N[C@@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)cc(OC)c1 ZINC000832026136 604799221 /nfs/dbraw/zinc/79/92/21/604799221.db2.gz HNLYMJMZVVYQCB-MRXNPFEDSA-N -1 3 388.439 3.618 20 0 GHADHM C[C@@]1(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833567955 604818854 /nfs/dbraw/zinc/81/88/54/604818854.db2.gz BMZFVCLLRJZONL-CXAGYDPISA-N -1 3 383.370 3.879 20 0 GHADHM CC1(C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000824796536 607723586 /nfs/dbraw/zinc/72/35/86/607723586.db2.gz QJPIQZQIVBSEES-HNNXBMFYSA-N -1 3 381.411 3.569 20 0 GHADHM CC1(C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000824796536 607723588 /nfs/dbraw/zinc/72/35/88/607723588.db2.gz QJPIQZQIVBSEES-HNNXBMFYSA-N -1 3 381.411 3.569 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000325378733 604936035 /nfs/dbraw/zinc/93/60/35/604936035.db2.gz RTCKYCBWUUOQMD-CYBMUJFWSA-N -1 3 398.297 3.543 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826460240 607732013 /nfs/dbraw/zinc/73/20/13/607732013.db2.gz TUVHCQGSJQYAAI-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826460240 607732015 /nfs/dbraw/zinc/73/20/15/607732015.db2.gz TUVHCQGSJQYAAI-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM Cc1c(NC(=O)c2ccc(CCC(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000826242346 607755406 /nfs/dbraw/zinc/75/54/06/607755406.db2.gz LGRLQPGLBCUZMJ-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1c(NC(=O)c2ccc(CCC(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000826242346 607755407 /nfs/dbraw/zinc/75/54/07/607755407.db2.gz LGRLQPGLBCUZMJ-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2C)cc1-c1nnn[n-]1 ZINC000825540211 607757814 /nfs/dbraw/zinc/75/78/14/607757814.db2.gz VOFGICHBWDICQN-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2C)cc1-c1nn[n-]n1 ZINC000825540211 607757815 /nfs/dbraw/zinc/75/78/15/607757815.db2.gz VOFGICHBWDICQN-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM O=C([O-])N1CCc2cccc(CN3CCC([C@H](O)c4ccc(F)cc4)CC3)c21 ZINC000834123974 605594442 /nfs/dbraw/zinc/59/44/42/605594442.db2.gz YUGUDIUCLLRVTD-OAQYLSRUSA-N -1 3 384.451 3.812 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cn1 ZINC000824347633 607771083 /nfs/dbraw/zinc/77/10/83/607771083.db2.gz ICFFMXUPTMTVJD-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cn1 ZINC000824347633 607771084 /nfs/dbraw/zinc/77/10/84/607771084.db2.gz ICFFMXUPTMTVJD-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1NCc1nccn1CCc1ccccc1 ZINC000834109725 605990749 /nfs/dbraw/zinc/99/07/49/605990749.db2.gz UVVZLJZPCIARAF-HSALFYBXSA-N -1 3 382.508 3.527 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823779556 606060591 /nfs/dbraw/zinc/06/05/91/606060591.db2.gz GHAIWXCTKJPFLR-PXNSSMCTSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823779556 606060597 /nfs/dbraw/zinc/06/05/97/606060597.db2.gz GHAIWXCTKJPFLR-PXNSSMCTSA-N -1 3 386.459 3.995 20 0 GHADHM COc1cc(CN(C)c2nc3ccccc3cc2-c2nnn[n-]2)ccc1SC ZINC000821717760 606062149 /nfs/dbraw/zinc/06/21/49/606062149.db2.gz XRDXSSCRXSJTFM-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM COc1cc(CN(C)c2nc3ccccc3cc2-c2nn[n-]n2)ccc1SC ZINC000821717760 606062157 /nfs/dbraw/zinc/06/21/57/606062157.db2.gz XRDXSSCRXSJTFM-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)nn1C ZINC000820187438 606102555 /nfs/dbraw/zinc/10/25/55/606102555.db2.gz AVMOETJSHWLQNN-UHFFFAOYSA-N -1 3 393.476 3.704 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)nn1C ZINC000820187438 606102557 /nfs/dbraw/zinc/10/25/57/606102557.db2.gz AVMOETJSHWLQNN-UHFFFAOYSA-N -1 3 393.476 3.704 20 0 GHADHM Fc1ccccc1OC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000822796459 606105060 /nfs/dbraw/zinc/10/50/60/606105060.db2.gz RSCWCEJFSWGLOZ-QGZVFWFLSA-N -1 3 376.395 3.633 20 0 GHADHM Fc1ccccc1OC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000822796459 606105062 /nfs/dbraw/zinc/10/50/62/606105062.db2.gz RSCWCEJFSWGLOZ-QGZVFWFLSA-N -1 3 376.395 3.633 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc2n[nH]cc2c1 ZINC000823350501 606109336 /nfs/dbraw/zinc/10/93/36/606109336.db2.gz PQJJICAEZNSFAV-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2Cc3ccccc3[C@@H]2C)c1-c1nnn[n-]1 ZINC000821990550 606110367 /nfs/dbraw/zinc/11/03/67/606110367.db2.gz UKJLQQNAIYYJLF-NSHDSACASA-N -1 3 392.488 3.578 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823493231 606121082 /nfs/dbraw/zinc/12/10/82/606121082.db2.gz JBMPJYXXJIUIRN-HDICACEKSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823493231 606121083 /nfs/dbraw/zinc/12/10/83/606121083.db2.gz JBMPJYXXJIUIRN-HDICACEKSA-N -1 3 389.459 3.921 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000821465959 606125941 /nfs/dbraw/zinc/12/59/41/606125941.db2.gz RYICZYLJKFWKTJ-LLVKDONJSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000821465959 606125942 /nfs/dbraw/zinc/12/59/42/606125942.db2.gz RYICZYLJKFWKTJ-LLVKDONJSA-N -1 3 385.493 3.940 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821043380 606134946 /nfs/dbraw/zinc/13/49/46/606134946.db2.gz OKTLPSJDKZHNBS-MENFKHAKSA-N -1 3 377.448 3.620 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821043380 606134948 /nfs/dbraw/zinc/13/49/48/606134948.db2.gz OKTLPSJDKZHNBS-MENFKHAKSA-N -1 3 377.448 3.620 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819971655 606145979 /nfs/dbraw/zinc/14/59/79/606145979.db2.gz QENDSTBSGFKNKV-UHFFFAOYSA-N -1 3 388.522 3.813 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000819971655 606145981 /nfs/dbraw/zinc/14/59/81/606145981.db2.gz QENDSTBSGFKNKV-UHFFFAOYSA-N -1 3 388.522 3.813 20 0 GHADHM CC(C)CN(C(=O)c1ccc(F)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081497 606154956 /nfs/dbraw/zinc/15/49/56/606154956.db2.gz JAAPGJYIODAOGB-UHFFFAOYSA-N -1 3 375.354 3.587 20 0 GHADHM CC(C)CN(C(=O)c1ccc(F)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081497 606154958 /nfs/dbraw/zinc/15/49/58/606154958.db2.gz JAAPGJYIODAOGB-UHFFFAOYSA-N -1 3 375.354 3.587 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822029418 606161842 /nfs/dbraw/zinc/16/18/42/606161842.db2.gz YIUGGXMKQRVBTA-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822029418 606161844 /nfs/dbraw/zinc/16/18/44/606161844.db2.gz YIUGGXMKQRVBTA-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822028603 606162188 /nfs/dbraw/zinc/16/21/88/606162188.db2.gz QVYNOYSYWNDKNC-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822028603 606162190 /nfs/dbraw/zinc/16/21/90/606162190.db2.gz QVYNOYSYWNDKNC-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM O=C(CS[C@H]1CCCCc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823055860 606180063 /nfs/dbraw/zinc/18/00/63/606180063.db2.gz YHTLRGYWEBUZCY-IBGZPJMESA-N -1 3 393.516 3.684 20 0 GHADHM O=C(CS[C@H]1CCCCc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823055860 606180064 /nfs/dbraw/zinc/18/00/64/606180064.db2.gz YHTLRGYWEBUZCY-IBGZPJMESA-N -1 3 393.516 3.684 20 0 GHADHM O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614515 606180302 /nfs/dbraw/zinc/18/03/02/606180302.db2.gz QBYJUVQPJNETCW-HHHXNRCGSA-N -1 3 399.863 3.624 20 0 GHADHM O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614515 606180303 /nfs/dbraw/zinc/18/03/03/606180303.db2.gz QBYJUVQPJNETCW-HHHXNRCGSA-N -1 3 399.863 3.624 20 0 GHADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820819466 606189830 /nfs/dbraw/zinc/18/98/30/606189830.db2.gz IXCVAKVCJJOZQQ-KGLIPLIRSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820819466 606189832 /nfs/dbraw/zinc/18/98/32/606189832.db2.gz IXCVAKVCJJOZQQ-KGLIPLIRSA-N -1 3 379.489 3.715 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822194076 606214707 /nfs/dbraw/zinc/21/47/07/606214707.db2.gz HNLOJYVDRBWDCG-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822194076 606214709 /nfs/dbraw/zinc/21/47/09/606214709.db2.gz HNLOJYVDRBWDCG-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Fc1cccc(NCc2csc(CCc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000822792194 606233386 /nfs/dbraw/zinc/23/33/86/606233386.db2.gz QPVVPXQUTOLABQ-UHFFFAOYSA-N -1 3 380.452 3.860 20 0 GHADHM Fc1cccc(NCc2csc(CCc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000822792194 606233389 /nfs/dbraw/zinc/23/33/89/606233389.db2.gz QPVVPXQUTOLABQ-UHFFFAOYSA-N -1 3 380.452 3.860 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000821702550 606240323 /nfs/dbraw/zinc/24/03/23/606240323.db2.gz XFBPMDJBLAHXFO-SJORKVTESA-N -1 3 391.431 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000821702550 606240325 /nfs/dbraw/zinc/24/03/25/606240325.db2.gz XFBPMDJBLAHXFO-SJORKVTESA-N -1 3 391.431 3.652 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000821702549 606240396 /nfs/dbraw/zinc/24/03/96/606240396.db2.gz XFBPMDJBLAHXFO-IRXDYDNUSA-N -1 3 391.431 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000821702549 606240398 /nfs/dbraw/zinc/24/03/98/606240398.db2.gz XFBPMDJBLAHXFO-IRXDYDNUSA-N -1 3 391.431 3.652 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823350555 606246127 /nfs/dbraw/zinc/24/61/27/606246127.db2.gz RDDRZESDWBOJQP-IAGOWNOFSA-N -1 3 393.422 3.569 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823350555 606246129 /nfs/dbraw/zinc/24/61/29/606246129.db2.gz RDDRZESDWBOJQP-IAGOWNOFSA-N -1 3 393.422 3.569 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939630 606262991 /nfs/dbraw/zinc/26/29/91/606262991.db2.gz WMLUJSGPLAONPS-KRWDZBQOSA-N -1 3 383.427 3.925 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939630 606262992 /nfs/dbraw/zinc/26/29/92/606262992.db2.gz WMLUJSGPLAONPS-KRWDZBQOSA-N -1 3 383.427 3.925 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)ccc2c1 ZINC000821854475 606267053 /nfs/dbraw/zinc/26/70/53/606267053.db2.gz KUNYQGFJJMCYCD-LBPRGKRZSA-N -1 3 391.406 3.910 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)ccc2c1 ZINC000821854475 606267055 /nfs/dbraw/zinc/26/70/55/606267055.db2.gz KUNYQGFJJMCYCD-LBPRGKRZSA-N -1 3 391.406 3.910 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000821119343 606281648 /nfs/dbraw/zinc/28/16/48/606281648.db2.gz XSTKUKLRUHSLAF-AWEZNQCLSA-N -1 3 392.463 3.536 20 0 GHADHM CC(C)c1nc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000820201966 606306755 /nfs/dbraw/zinc/30/67/55/606306755.db2.gz CQXCMPNDLPDXPH-UHFFFAOYSA-N -1 3 378.392 3.744 20 0 GHADHM CC(C)c1nc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000820201966 606306757 /nfs/dbraw/zinc/30/67/57/606306757.db2.gz CQXCMPNDLPDXPH-UHFFFAOYSA-N -1 3 378.392 3.744 20 0 GHADHM O=C1[C@H](Sc2ccc(F)c(Cl)c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823510801 606311059 /nfs/dbraw/zinc/31/10/59/606311059.db2.gz AFLCWTJYQHIPKE-GFCCVEGCSA-N -1 3 395.872 3.618 20 0 GHADHM O=C1[C@H](Sc2ccc(F)c(Cl)c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823510801 606311062 /nfs/dbraw/zinc/31/10/62/606311062.db2.gz AFLCWTJYQHIPKE-GFCCVEGCSA-N -1 3 395.872 3.618 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820678661 606344033 /nfs/dbraw/zinc/34/40/33/606344033.db2.gz WXZKEXVMBMQKNZ-JTNHKYCSSA-N -1 3 392.410 3.653 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820678661 606344035 /nfs/dbraw/zinc/34/40/35/606344035.db2.gz WXZKEXVMBMQKNZ-JTNHKYCSSA-N -1 3 392.410 3.653 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820716532 606347168 /nfs/dbraw/zinc/34/71/68/606347168.db2.gz JDYNCGYHFVPLPT-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820716532 606347169 /nfs/dbraw/zinc/34/71/69/606347169.db2.gz JDYNCGYHFVPLPT-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553736 606348887 /nfs/dbraw/zinc/34/88/87/606348887.db2.gz PWTDBLFXDDAQJG-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553736 606348889 /nfs/dbraw/zinc/34/88/89/606348889.db2.gz PWTDBLFXDDAQJG-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519494 606351027 /nfs/dbraw/zinc/35/10/27/606351027.db2.gz VILGJVPKAWHATB-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519494 606351028 /nfs/dbraw/zinc/35/10/28/606351028.db2.gz VILGJVPKAWHATB-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508621 606351039 /nfs/dbraw/zinc/35/10/39/606351039.db2.gz TXDUKMLBVHDPDM-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508621 606351040 /nfs/dbraw/zinc/35/10/40/606351040.db2.gz TXDUKMLBVHDPDM-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891290 606351794 /nfs/dbraw/zinc/35/17/94/606351794.db2.gz ZOQIPANCCKMSGO-CQSZACIVSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821891290 606351795 /nfs/dbraw/zinc/35/17/95/606351795.db2.gz ZOQIPANCCKMSGO-CQSZACIVSA-N -1 3 380.448 3.748 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000822351085 606351929 /nfs/dbraw/zinc/35/19/29/606351929.db2.gz KLTOZXOTHZBDJP-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000822351085 606351931 /nfs/dbraw/zinc/35/19/31/606351931.db2.gz KLTOZXOTHZBDJP-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497397 606355910 /nfs/dbraw/zinc/35/59/10/606355910.db2.gz QXVZWYWPSJTCMF-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497397 606355912 /nfs/dbraw/zinc/35/59/12/606355912.db2.gz QXVZWYWPSJTCMF-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1OC(F)F ZINC000823337707 606364286 /nfs/dbraw/zinc/36/42/86/606364286.db2.gz QYHWFZOQWLOHIO-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1OC(F)F ZINC000823337707 606364287 /nfs/dbraw/zinc/36/42/87/606364287.db2.gz QYHWFZOQWLOHIO-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](O)c1c(Cl)cccc1Cl ZINC000820461615 606419247 /nfs/dbraw/zinc/41/92/47/606419247.db2.gz NVXHEMQZASVZEV-UHLUBPPHSA-N -1 3 399.669 3.756 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](O)c1c(Cl)cccc1Cl ZINC000820461615 606419249 /nfs/dbraw/zinc/41/92/49/606419249.db2.gz NVXHEMQZASVZEV-UHLUBPPHSA-N -1 3 399.669 3.756 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000820741756 606425382 /nfs/dbraw/zinc/42/53/82/606425382.db2.gz FRRLAMKEKJTJES-OKILXGFUSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000820741756 606425383 /nfs/dbraw/zinc/42/53/83/606425383.db2.gz FRRLAMKEKJTJES-OKILXGFUSA-N -1 3 379.489 3.746 20 0 GHADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000821675776 606430690 /nfs/dbraw/zinc/43/06/90/606430690.db2.gz SXMLRYNCBRIJIZ-QMMMGPOBSA-N -1 3 384.387 3.662 20 0 GHADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000821675776 606430692 /nfs/dbraw/zinc/43/06/92/606430692.db2.gz SXMLRYNCBRIJIZ-QMMMGPOBSA-N -1 3 384.387 3.662 20 0 GHADHM FC(F)(F)CN1CCC(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000822718712 606434896 /nfs/dbraw/zinc/43/48/96/606434896.db2.gz PLKFMDDHTNXFBD-UHFFFAOYSA-N -1 3 388.825 3.596 20 0 GHADHM FC(F)(F)CN1CCC(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000822718712 606434898 /nfs/dbraw/zinc/43/48/98/606434898.db2.gz PLKFMDDHTNXFBD-UHFFFAOYSA-N -1 3 388.825 3.596 20 0 GHADHM Cc1ccc(C(N)=O)cc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822230947 606452009 /nfs/dbraw/zinc/45/20/09/606452009.db2.gz WAFSFSXKXJFFLE-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1ccc(C(N)=O)cc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822230947 606452011 /nfs/dbraw/zinc/45/20/11/606452011.db2.gz WAFSFSXKXJFFLE-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4cc(-c5nnn[n-]5)c5ccccc5n4)C3)nc2c1 ZINC000823802722 606453577 /nfs/dbraw/zinc/45/35/77/606453577.db2.gz ZOXGDBBWJMHYIF-AWEZNQCLSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4cc(-c5nn[n-]n5)c5ccccc5n4)C3)nc2c1 ZINC000823802722 606453578 /nfs/dbraw/zinc/45/35/78/606453578.db2.gz ZOXGDBBWJMHYIF-AWEZNQCLSA-N -1 3 397.442 3.940 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1OC(F)F ZINC000820506842 606468323 /nfs/dbraw/zinc/46/83/23/606468323.db2.gz CPCZTZVQLQOMRZ-ZETCQYMHSA-N -1 3 384.339 3.587 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1OC(F)F ZINC000820506842 606468324 /nfs/dbraw/zinc/46/83/24/606468324.db2.gz CPCZTZVQLQOMRZ-ZETCQYMHSA-N -1 3 384.339 3.587 20 0 GHADHM c1sc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1-c1nnn[n-]1 ZINC000823792263 606471639 /nfs/dbraw/zinc/47/16/39/606471639.db2.gz RHQSLIYUSMUQAN-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM c1sc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1-c1nn[n-]n1 ZINC000823792263 606471641 /nfs/dbraw/zinc/47/16/41/606471641.db2.gz RHQSLIYUSMUQAN-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823357476 606486221 /nfs/dbraw/zinc/48/62/21/606486221.db2.gz WBMDCXKINBMFFU-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823357476 606486224 /nfs/dbraw/zinc/48/62/24/606486224.db2.gz WBMDCXKINBMFFU-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM COc1cc2c(cc1NC(=O)Cc1cccc(-c3nnn[n-]3)c1)oc1ccccc12 ZINC000821727888 606487500 /nfs/dbraw/zinc/48/75/00/606487500.db2.gz PJJMLVGVKYSDNN-UHFFFAOYSA-N -1 3 399.410 3.956 20 0 GHADHM COc1cc2c(cc1NC(=O)Cc1cccc(-c3nn[n-]n3)c1)oc1ccccc12 ZINC000821727888 606487501 /nfs/dbraw/zinc/48/75/01/606487501.db2.gz PJJMLVGVKYSDNN-UHFFFAOYSA-N -1 3 399.410 3.956 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1c1nccs1 ZINC000822732549 606487778 /nfs/dbraw/zinc/48/77/78/606487778.db2.gz JSZLYUNNYKEVGN-CYBMUJFWSA-N -1 3 392.435 3.652 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1nccs1 ZINC000822732549 606487779 /nfs/dbraw/zinc/48/77/79/606487779.db2.gz JSZLYUNNYKEVGN-CYBMUJFWSA-N -1 3 392.435 3.652 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)sc1Cc1cccc(C)c1 ZINC000822303554 606495848 /nfs/dbraw/zinc/49/58/48/606495848.db2.gz FJFHTHJSCDWCPV-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)sc1Cc1cccc(C)c1 ZINC000822303554 606495849 /nfs/dbraw/zinc/49/58/49/606495849.db2.gz FJFHTHJSCDWCPV-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM CC(C)[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820015627 606503868 /nfs/dbraw/zinc/50/38/68/606503868.db2.gz DTPLIYZNQLYBFD-GOSISDBHSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820015627 606503870 /nfs/dbraw/zinc/50/38/70/606503870.db2.gz DTPLIYZNQLYBFD-GOSISDBHSA-N -1 3 383.883 3.918 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000823087273 606504147 /nfs/dbraw/zinc/50/41/47/606504147.db2.gz MSXIHKNQASSRKL-UHFFFAOYSA-N -1 3 383.455 3.754 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000823087273 606504148 /nfs/dbraw/zinc/50/41/48/606504148.db2.gz MSXIHKNQASSRKL-UHFFFAOYSA-N -1 3 383.455 3.754 20 0 GHADHM Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822226159 606507195 /nfs/dbraw/zinc/50/71/95/606507195.db2.gz FKVRTYSMWQYPCV-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822226159 606507197 /nfs/dbraw/zinc/50/71/97/606507197.db2.gz FKVRTYSMWQYPCV-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823466179 606508484 /nfs/dbraw/zinc/50/84/84/606508484.db2.gz FHTQZHDICWJCCM-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823466179 606508485 /nfs/dbraw/zinc/50/84/85/606508485.db2.gz FHTQZHDICWJCCM-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c(F)c1 ZINC000822227850 606510433 /nfs/dbraw/zinc/51/04/33/606510433.db2.gz YBEBFYLQSLPMQA-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c(F)c1 ZINC000822227850 606510435 /nfs/dbraw/zinc/51/04/35/606510435.db2.gz YBEBFYLQSLPMQA-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(COc2ccccc2)c1 ZINC000823108367 606529863 /nfs/dbraw/zinc/52/98/63/606529863.db2.gz MEAXZXBSHIEJEP-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(COc2ccccc2)c1 ZINC000823108367 606529865 /nfs/dbraw/zinc/52/98/65/606529865.db2.gz MEAXZXBSHIEJEP-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000823103748 606530232 /nfs/dbraw/zinc/53/02/32/606530232.db2.gz KROAFKUSQBXVSM-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000823103748 606530234 /nfs/dbraw/zinc/53/02/34/606530234.db2.gz KROAFKUSQBXVSM-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000820542501 606535111 /nfs/dbraw/zinc/53/51/11/606535111.db2.gz OOWVZMWRNVRUJG-RDTXWAMCSA-N -1 3 395.438 3.527 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000820542501 606535113 /nfs/dbraw/zinc/53/51/13/606535113.db2.gz OOWVZMWRNVRUJG-RDTXWAMCSA-N -1 3 395.438 3.527 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819766358 606537809 /nfs/dbraw/zinc/53/78/09/606537809.db2.gz XMOTVNRNHJAJCH-QINSGFPZSA-N -1 3 379.439 3.846 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819766358 606537810 /nfs/dbraw/zinc/53/78/10/606537810.db2.gz XMOTVNRNHJAJCH-QINSGFPZSA-N -1 3 379.439 3.846 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(NC2CCCCC2)cc1 ZINC000823104388 606542958 /nfs/dbraw/zinc/54/29/58/606542958.db2.gz VYLOMRQNCWZPMV-UHFFFAOYSA-N -1 3 376.464 3.793 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(NC2CCCCC2)cc1 ZINC000823104388 606542960 /nfs/dbraw/zinc/54/29/60/606542960.db2.gz VYLOMRQNCWZPMV-UHFFFAOYSA-N -1 3 376.464 3.793 20 0 GHADHM CCC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2C)CC1 ZINC000820943849 606549030 /nfs/dbraw/zinc/54/90/30/606549030.db2.gz CFGDTAAXLHACBR-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM CCC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2C)CC1 ZINC000820943849 606549031 /nfs/dbraw/zinc/54/90/31/606549031.db2.gz CFGDTAAXLHACBR-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822021346 606560449 /nfs/dbraw/zinc/56/04/49/606560449.db2.gz XODQUOFIKQWWRO-FQEVSTJZSA-N -1 3 389.459 3.977 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822021346 606560452 /nfs/dbraw/zinc/56/04/52/606560452.db2.gz XODQUOFIKQWWRO-FQEVSTJZSA-N -1 3 389.459 3.977 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822220096 606575340 /nfs/dbraw/zinc/57/53/40/606575340.db2.gz CZKZORONYZTNAR-DGCLKSJQSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822220096 606575342 /nfs/dbraw/zinc/57/53/42/606575342.db2.gz CZKZORONYZTNAR-DGCLKSJQSA-N -1 3 382.390 3.665 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000821608366 606579250 /nfs/dbraw/zinc/57/92/50/606579250.db2.gz DEYRWWYGXUAWEI-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000821608366 606579251 /nfs/dbraw/zinc/57/92/51/606579251.db2.gz DEYRWWYGXUAWEI-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821577997 606589505 /nfs/dbraw/zinc/58/95/05/606589505.db2.gz IVKJUPSVCCEWDL-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM CN(C)C(=O)Sc1cccc(COc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821577997 606589506 /nfs/dbraw/zinc/58/95/06/606589506.db2.gz IVKJUPSVCCEWDL-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CC1(Cl)Cl ZINC000822732923 606591689 /nfs/dbraw/zinc/59/16/89/606591689.db2.gz OUOAVRMYWDPSMF-SECBINFHSA-N -1 3 381.235 3.895 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CC1(Cl)Cl ZINC000822732923 606591690 /nfs/dbraw/zinc/59/16/90/606591690.db2.gz OUOAVRMYWDPSMF-SECBINFHSA-N -1 3 381.235 3.895 20 0 GHADHM C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2ccccc2c1 ZINC000819867984 606603237 /nfs/dbraw/zinc/60/32/37/606603237.db2.gz WNWBYPFAVWNPCO-CYBMUJFWSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2ccccc2c1 ZINC000819867984 606603239 /nfs/dbraw/zinc/60/32/39/606603239.db2.gz WNWBYPFAVWNPCO-CYBMUJFWSA-N -1 3 375.407 3.579 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765003 606603373 /nfs/dbraw/zinc/60/33/73/606603373.db2.gz MFESMGKJMLDXCW-KXXVWKPMSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765003 606603374 /nfs/dbraw/zinc/60/33/74/606603374.db2.gz MFESMGKJMLDXCW-KXXVWKPMSA-N -1 3 399.401 3.749 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823078160 606605483 /nfs/dbraw/zinc/60/54/83/606605483.db2.gz GWFGFOSENZUXDW-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823078160 606605485 /nfs/dbraw/zinc/60/54/85/606605485.db2.gz GWFGFOSENZUXDW-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649020 606628252 /nfs/dbraw/zinc/62/82/52/606628252.db2.gz HLWOBKGUPOVVKR-GRYCIOLGSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649020 606628253 /nfs/dbraw/zinc/62/82/53/606628253.db2.gz HLWOBKGUPOVVKR-GRYCIOLGSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCc2ccccc21 ZINC000820548478 606630393 /nfs/dbraw/zinc/63/03/93/606630393.db2.gz AOSQJSCMPMSTJE-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCc2ccccc21 ZINC000820548478 606630395 /nfs/dbraw/zinc/63/03/95/606630395.db2.gz AOSQJSCMPMSTJE-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM COc1ccc(CNc2cccc(CCC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000821821478 606635307 /nfs/dbraw/zinc/63/53/07/606635307.db2.gz HTMZJNSAMKLJMF-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1ccc(CNc2cccc(CCC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000821821478 606635308 /nfs/dbraw/zinc/63/53/08/606635308.db2.gz HTMZJNSAMKLJMF-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822449701 606645725 /nfs/dbraw/zinc/64/57/25/606645725.db2.gz KTQXELXZLKDWIC-UHFFFAOYSA-N -1 3 394.913 3.868 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822449701 606645726 /nfs/dbraw/zinc/64/57/26/606645726.db2.gz KTQXELXZLKDWIC-UHFFFAOYSA-N -1 3 394.913 3.868 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822478141 606656872 /nfs/dbraw/zinc/65/68/72/606656872.db2.gz RIFVLZGWIFDTSB-NSHDSACASA-N -1 3 380.843 3.582 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822478141 606656873 /nfs/dbraw/zinc/65/68/73/606656873.db2.gz RIFVLZGWIFDTSB-NSHDSACASA-N -1 3 380.843 3.582 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1ccccc1)CC(F)F ZINC000823303694 606661092 /nfs/dbraw/zinc/66/10/92/606661092.db2.gz RGBSWJQDABOUGW-UHFFFAOYSA-N -1 3 392.797 3.819 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1ccccc1)CC(F)F ZINC000823303694 606661093 /nfs/dbraw/zinc/66/10/93/606661093.db2.gz RGBSWJQDABOUGW-UHFFFAOYSA-N -1 3 392.797 3.819 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3F)c2-c2nnn[n-]2)C1 ZINC000820727012 606664283 /nfs/dbraw/zinc/66/42/83/606664283.db2.gz FNLGPBWEJZBFPA-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3F)c2-c2nn[n-]n2)C1 ZINC000820727012 606664284 /nfs/dbraw/zinc/66/42/84/606664284.db2.gz FNLGPBWEJZBFPA-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM O=C(CCCc1ccc(F)c(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822958876 606664888 /nfs/dbraw/zinc/66/48/88/606664888.db2.gz LDRUWRVTMIWIQF-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(CCCc1ccc(F)c(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822958876 606664889 /nfs/dbraw/zinc/66/48/89/606664889.db2.gz LDRUWRVTMIWIQF-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823246136 606665546 /nfs/dbraw/zinc/66/55/46/606665546.db2.gz CUSGTBQTWUZUJY-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823246136 606665547 /nfs/dbraw/zinc/66/55/47/606665547.db2.gz CUSGTBQTWUZUJY-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccco1)c1ccccc1 ZINC000823454396 606668313 /nfs/dbraw/zinc/66/83/13/606668313.db2.gz QBHHDQGSRYSSDD-UHFFFAOYSA-N -1 3 381.342 3.585 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccco1)c1ccccc1 ZINC000823454396 606668314 /nfs/dbraw/zinc/66/83/14/606668314.db2.gz QBHHDQGSRYSSDD-UHFFFAOYSA-N -1 3 381.342 3.585 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820563734 606669276 /nfs/dbraw/zinc/66/92/76/606669276.db2.gz URANLWWMPUPHBE-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820563734 606669277 /nfs/dbraw/zinc/66/92/77/606669277.db2.gz URANLWWMPUPHBE-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823453984 606670800 /nfs/dbraw/zinc/67/08/00/606670800.db2.gz HRZADDPVZKPHNV-GOSISDBHSA-N -1 3 395.413 3.827 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823453984 606670801 /nfs/dbraw/zinc/67/08/01/606670801.db2.gz HRZADDPVZKPHNV-GOSISDBHSA-N -1 3 395.413 3.827 20 0 GHADHM O=C(Cc1ccc(F)cc1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823082850 606671340 /nfs/dbraw/zinc/67/13/40/606671340.db2.gz TVVIPOORVCPJQE-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM O=C(Cc1ccc(F)cc1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823082850 606671341 /nfs/dbraw/zinc/67/13/41/606671341.db2.gz TVVIPOORVCPJQE-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)oc1C ZINC000822418984 606672069 /nfs/dbraw/zinc/67/20/69/606672069.db2.gz LAMYNCJWAWNRTE-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2)oc1C ZINC000822418984 606672070 /nfs/dbraw/zinc/67/20/70/606672070.db2.gz LAMYNCJWAWNRTE-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H](c1ccccc1)C(F)(F)F ZINC000821571730 606677585 /nfs/dbraw/zinc/67/75/85/606677585.db2.gz CGEASMNGFJADEW-AWEZNQCLSA-N -1 3 397.307 3.521 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](c1ccccc1)C(F)(F)F ZINC000821571730 606677586 /nfs/dbraw/zinc/67/75/86/606677586.db2.gz CGEASMNGFJADEW-AWEZNQCLSA-N -1 3 397.307 3.521 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000820920379 606680033 /nfs/dbraw/zinc/68/00/33/606680033.db2.gz PJNKYGSWDIAHHI-JTQLQIEISA-N -1 3 383.811 3.741 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000820920379 606680034 /nfs/dbraw/zinc/68/00/34/606680034.db2.gz PJNKYGSWDIAHHI-JTQLQIEISA-N -1 3 383.811 3.741 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821681336 606682406 /nfs/dbraw/zinc/68/24/06/606682406.db2.gz IARLUXDIGRZTDP-AWEZNQCLSA-N -1 3 399.882 3.726 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821681336 606682407 /nfs/dbraw/zinc/68/24/07/606682407.db2.gz IARLUXDIGRZTDP-AWEZNQCLSA-N -1 3 399.882 3.726 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233283 606682798 /nfs/dbraw/zinc/68/27/98/606682798.db2.gz LQMFBPADDGRWAQ-MAUKXSAKSA-N -1 3 397.429 3.862 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233283 606682799 /nfs/dbraw/zinc/68/27/99/606682799.db2.gz LQMFBPADDGRWAQ-MAUKXSAKSA-N -1 3 397.429 3.862 20 0 GHADHM Cc1cccc([C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C(C)(C)C)c1 ZINC000822288852 606685992 /nfs/dbraw/zinc/68/59/92/606685992.db2.gz LFCCPJVECGVSQW-QGZVFWFLSA-N -1 3 385.418 3.971 20 0 GHADHM Cc1cccc([C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(C)(C)C)c1 ZINC000822288852 606685993 /nfs/dbraw/zinc/68/59/93/606685993.db2.gz LFCCPJVECGVSQW-QGZVFWFLSA-N -1 3 385.418 3.971 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822229507 606693629 /nfs/dbraw/zinc/69/36/29/606693629.db2.gz WAMUXDFORJGCNX-HNNXBMFYSA-N -1 3 397.454 3.741 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822229507 606693630 /nfs/dbraw/zinc/69/36/30/606693630.db2.gz WAMUXDFORJGCNX-HNNXBMFYSA-N -1 3 397.454 3.741 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c(C)n1 ZINC000822254514 606696762 /nfs/dbraw/zinc/69/67/62/606696762.db2.gz LYDWMSLDJJEOGN-UHFFFAOYSA-N -1 3 385.431 3.874 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000820636015 606718166 /nfs/dbraw/zinc/71/81/66/606718166.db2.gz ORAMQLFBXHNFCV-NRFANRHFSA-N -1 3 393.495 3.619 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000820636015 606718168 /nfs/dbraw/zinc/71/81/68/606718168.db2.gz ORAMQLFBXHNFCV-NRFANRHFSA-N -1 3 393.495 3.619 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(OC[C@@H]2CCOC2)c1 ZINC000822238545 606726546 /nfs/dbraw/zinc/72/65/46/606726546.db2.gz LTIIUUXUVHXLTR-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(OC[C@@H]2CCOC2)c1 ZINC000822238545 606726547 /nfs/dbraw/zinc/72/65/47/606726547.db2.gz LTIIUUXUVHXLTR-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000821686511 606731382 /nfs/dbraw/zinc/73/13/82/606731382.db2.gz TTZFVHZGBGFRCC-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000821686511 606731383 /nfs/dbraw/zinc/73/13/83/606731383.db2.gz TTZFVHZGBGFRCC-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000823413365 606763748 /nfs/dbraw/zinc/76/37/48/606763748.db2.gz FZADVMHCPWVWEJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(C(F)(F)F)ccc1F ZINC000823413365 606763749 /nfs/dbraw/zinc/76/37/49/606763749.db2.gz FZADVMHCPWVWEJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000822193454 606769073 /nfs/dbraw/zinc/76/90/73/606769073.db2.gz YHIILNGHARVVBL-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000822193454 606769075 /nfs/dbraw/zinc/76/90/75/606769075.db2.gz YHIILNGHARVVBL-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971245 606787321 /nfs/dbraw/zinc/78/73/21/606787321.db2.gz AEDUGDLPEUEYSN-CRAIPNDOSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971245 606787324 /nfs/dbraw/zinc/78/73/24/606787324.db2.gz AEDUGDLPEUEYSN-CRAIPNDOSA-N -1 3 379.420 3.555 20 0 GHADHM COCCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821687095 606789548 /nfs/dbraw/zinc/78/95/48/606789548.db2.gz OGYAKNREQSXNGG-UHFFFAOYSA-N -1 3 395.463 3.514 20 0 GHADHM COCCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821687095 606789549 /nfs/dbraw/zinc/78/95/49/606789549.db2.gz OGYAKNREQSXNGG-UHFFFAOYSA-N -1 3 395.463 3.514 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820973223 606790379 /nfs/dbraw/zinc/79/03/79/606790379.db2.gz VDZLECDPVIAODA-QAPCUYQASA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820973223 606790381 /nfs/dbraw/zinc/79/03/81/606790381.db2.gz VDZLECDPVIAODA-QAPCUYQASA-N -1 3 379.420 3.555 20 0 GHADHM CCOc1cc(C)ccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821394495 606800989 /nfs/dbraw/zinc/80/09/89/606800989.db2.gz KNUXBAXFKGYKSR-UHFFFAOYSA-N -1 3 378.358 3.600 20 0 GHADHM CCOc1cc(C)ccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821394495 606800991 /nfs/dbraw/zinc/80/09/91/606800991.db2.gz KNUXBAXFKGYKSR-UHFFFAOYSA-N -1 3 378.358 3.600 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCSC3)c2-c2nnn[n-]2)C1 ZINC000819906300 606808901 /nfs/dbraw/zinc/80/89/01/606808901.db2.gz DRAFUTWWTTVFJS-MNOVXSKESA-N -1 3 391.566 3.771 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCSC3)c2-c2nn[n-]n2)C1 ZINC000819906300 606808903 /nfs/dbraw/zinc/80/89/03/606808903.db2.gz DRAFUTWWTTVFJS-MNOVXSKESA-N -1 3 391.566 3.771 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823467424 606813187 /nfs/dbraw/zinc/81/31/87/606813187.db2.gz WURBIKOKZMGQKX-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823467424 606813189 /nfs/dbraw/zinc/81/31/89/606813189.db2.gz WURBIKOKZMGQKX-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819782888 606827782 /nfs/dbraw/zinc/82/77/82/606827782.db2.gz QXWJFPIQLAMEBQ-UHFFFAOYSA-N -1 3 396.472 3.934 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819782888 606827784 /nfs/dbraw/zinc/82/77/84/606827784.db2.gz QXWJFPIQLAMEBQ-UHFFFAOYSA-N -1 3 396.472 3.934 20 0 GHADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823144861 606852356 /nfs/dbraw/zinc/85/23/56/606852356.db2.gz MIUVOYILCCHTFD-MRXNPFEDSA-N -1 3 385.880 3.632 20 0 GHADHM O=C(NC1CC1)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823144861 606852357 /nfs/dbraw/zinc/85/23/57/606852357.db2.gz MIUVOYILCCHTFD-MRXNPFEDSA-N -1 3 385.880 3.632 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000821040467 606872879 /nfs/dbraw/zinc/87/28/79/606872879.db2.gz MBMCJHNFEMIVPM-HNNXBMFYSA-N -1 3 395.463 3.691 20 0 GHADHM COCCOc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821693711 606922976 /nfs/dbraw/zinc/92/29/76/606922976.db2.gz KKYHDSFXTMOVEH-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821693711 606922978 /nfs/dbraw/zinc/92/29/78/606922978.db2.gz KKYHDSFXTMOVEH-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000821821681 606923035 /nfs/dbraw/zinc/92/30/35/606923035.db2.gz QVAVFAARSQHMOZ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000821821681 606923036 /nfs/dbraw/zinc/92/30/36/606923036.db2.gz QVAVFAARSQHMOZ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822241525 606925164 /nfs/dbraw/zinc/92/51/64/606925164.db2.gz YRHCQEMHKZPZSJ-OAQYLSRUSA-N -1 3 389.459 3.817 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822241525 606925166 /nfs/dbraw/zinc/92/51/66/606925166.db2.gz YRHCQEMHKZPZSJ-OAQYLSRUSA-N -1 3 389.459 3.817 20 0 GHADHM Cc1coc(-c2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2C)n1 ZINC000822403503 606938462 /nfs/dbraw/zinc/93/84/62/606938462.db2.gz PZVGJUYUBJHTAF-NTMALXAHSA-N -1 3 386.415 3.790 20 0 GHADHM Cc1coc(-c2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2C)n1 ZINC000822403503 606938463 /nfs/dbraw/zinc/93/84/63/606938463.db2.gz PZVGJUYUBJHTAF-NTMALXAHSA-N -1 3 386.415 3.790 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823396290 606948848 /nfs/dbraw/zinc/94/88/48/606948848.db2.gz ICVHLUHPQTZOCE-KPKJPENVSA-N -1 3 395.202 3.515 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823396290 606948849 /nfs/dbraw/zinc/94/88/49/606948849.db2.gz ICVHLUHPQTZOCE-KPKJPENVSA-N -1 3 395.202 3.515 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823396289 606948974 /nfs/dbraw/zinc/94/89/74/606948974.db2.gz ICVHLUHPQTZOCE-GHXNOFRVSA-N -1 3 395.202 3.515 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823396289 606948976 /nfs/dbraw/zinc/94/89/76/606948976.db2.gz ICVHLUHPQTZOCE-GHXNOFRVSA-N -1 3 395.202 3.515 20 0 GHADHM CC(C)COc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820102703 606957064 /nfs/dbraw/zinc/95/70/64/606957064.db2.gz HNNLWGCKQQESPE-MRXNPFEDSA-N -1 3 393.491 3.712 20 0 GHADHM CC(C)COc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102703 606957065 /nfs/dbraw/zinc/95/70/65/606957065.db2.gz HNNLWGCKQQESPE-MRXNPFEDSA-N -1 3 393.491 3.712 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Br)c(Cl)c1 ZINC000823387557 606958173 /nfs/dbraw/zinc/95/81/73/606958173.db2.gz OVFIHPQIOGPRRE-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Br)c(Cl)c1 ZINC000823387557 606958174 /nfs/dbraw/zinc/95/81/74/606958174.db2.gz OVFIHPQIOGPRRE-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820678885 606958663 /nfs/dbraw/zinc/95/86/63/606958663.db2.gz ZWNALGOCPUZRBX-UGSOOPFHSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820678885 606958664 /nfs/dbraw/zinc/95/86/64/606958664.db2.gz ZWNALGOCPUZRBX-UGSOOPFHSA-N -1 3 397.866 3.621 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569183 606960124 /nfs/dbraw/zinc/96/01/24/606960124.db2.gz BDDVDVVAQNCBGR-VXGBXAGGSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569183 606960125 /nfs/dbraw/zinc/96/01/25/606960125.db2.gz BDDVDVVAQNCBGR-VXGBXAGGSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)CCc1cn(C)c2ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570897 606961036 /nfs/dbraw/zinc/96/10/36/606961036.db2.gz PXTLFJXSNOVGRM-UHFFFAOYSA-N -1 3 394.866 3.607 20 0 GHADHM CN(C(=O)CCc1cn(C)c2ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570897 606961038 /nfs/dbraw/zinc/96/10/38/606961038.db2.gz PXTLFJXSNOVGRM-UHFFFAOYSA-N -1 3 394.866 3.607 20 0 GHADHM CC=C(C=CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)CC ZINC000820833052 606998169 /nfs/dbraw/zinc/99/81/69/606998169.db2.gz RHIBILFYZLFKJK-LKMNZFGHSA-N -1 3 376.420 3.905 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820004824 606999786 /nfs/dbraw/zinc/99/97/86/606999786.db2.gz DWQXGOBKXWPDAR-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820004824 606999788 /nfs/dbraw/zinc/99/97/88/606999788.db2.gz DWQXGOBKXWPDAR-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821563685 607004666 /nfs/dbraw/zinc/00/46/66/607004666.db2.gz ADJQZAOLXDZDTC-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821563685 607004669 /nfs/dbraw/zinc/00/46/69/607004669.db2.gz ADJQZAOLXDZDTC-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000820717979 607011535 /nfs/dbraw/zinc/01/15/35/607011535.db2.gz ZMBCWIJEFOAGKK-CYBMUJFWSA-N -1 3 397.529 3.876 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000820717979 607011537 /nfs/dbraw/zinc/01/15/37/607011537.db2.gz ZMBCWIJEFOAGKK-CYBMUJFWSA-N -1 3 397.529 3.876 20 0 GHADHM COc1ccc(C)cc1CSCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821782219 607016901 /nfs/dbraw/zinc/01/69/01/607016901.db2.gz BOFCPRZPHXQRCL-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(C)cc1CSCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821782219 607016902 /nfs/dbraw/zinc/01/69/02/607016902.db2.gz BOFCPRZPHXQRCL-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccc(C)cc1 ZINC000821565047 607016897 /nfs/dbraw/zinc/01/68/97/607016897.db2.gz BETGLFDCOOJKBU-UHFFFAOYSA-N -1 3 377.477 3.746 20 0 GHADHM CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccc(C)cc1 ZINC000821565047 607016898 /nfs/dbraw/zinc/01/68/98/607016898.db2.gz BETGLFDCOOJKBU-UHFFFAOYSA-N -1 3 377.477 3.746 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000822221153 607029391 /nfs/dbraw/zinc/02/93/91/607029391.db2.gz COVIKKWJFPIAGD-HNNXBMFYSA-N -1 3 387.443 3.585 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000822221153 607029393 /nfs/dbraw/zinc/02/93/93/607029393.db2.gz COVIKKWJFPIAGD-HNNXBMFYSA-N -1 3 387.443 3.585 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822259332 607058504 /nfs/dbraw/zinc/05/85/04/607058504.db2.gz UVNHWUVBHLTCGD-LLVKDONJSA-N -1 3 377.370 3.766 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822034441 607126160 /nfs/dbraw/zinc/12/61/60/607126160.db2.gz CXTGSSBGVAAYNA-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC1CC=CC1 ZINC000822211756 607136550 /nfs/dbraw/zinc/13/65/50/607136550.db2.gz NNTAJOZAOMLXOQ-UHFFFAOYSA-N -1 3 390.447 3.594 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC1CC=CC1 ZINC000822211756 607136552 /nfs/dbraw/zinc/13/65/52/607136552.db2.gz NNTAJOZAOMLXOQ-UHFFFAOYSA-N -1 3 390.447 3.594 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821127871 607138765 /nfs/dbraw/zinc/13/87/65/607138765.db2.gz NECJPXRVNSFUCD-LBPRGKRZSA-N -1 3 384.415 3.677 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821127871 607138767 /nfs/dbraw/zinc/13/87/67/607138767.db2.gz NECJPXRVNSFUCD-LBPRGKRZSA-N -1 3 384.415 3.677 20 0 GHADHM C[C@@H](SCc1cc(F)ccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820548611 607149723 /nfs/dbraw/zinc/14/97/23/607149723.db2.gz DDCQGGYVOUITKV-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@@H](SCc1cc(F)ccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820548611 607149724 /nfs/dbraw/zinc/14/97/24/607149724.db2.gz DDCQGGYVOUITKV-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000821686398 607157236 /nfs/dbraw/zinc/15/72/36/607157236.db2.gz NTYYCSUZSMHRED-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000821686398 607157238 /nfs/dbraw/zinc/15/72/38/607157238.db2.gz NTYYCSUZSMHRED-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000821412828 607157353 /nfs/dbraw/zinc/15/73/53/607157353.db2.gz RWTVJIQDNFGRQA-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000821412828 607157355 /nfs/dbraw/zinc/15/73/55/607157355.db2.gz RWTVJIQDNFGRQA-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM Clc1ccc(Cl)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822574192 607164852 /nfs/dbraw/zinc/16/48/52/607164852.db2.gz PVHZEEPPUBTUDW-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(Cl)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822574192 607164853 /nfs/dbraw/zinc/16/48/53/607164853.db2.gz PVHZEEPPUBTUDW-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccc(F)cc1 ZINC000821565267 607169953 /nfs/dbraw/zinc/16/99/53/607169953.db2.gz LPVLIWSRBWMJNH-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccc(F)cc1 ZINC000821565267 607169954 /nfs/dbraw/zinc/16/99/54/607169954.db2.gz LPVLIWSRBWMJNH-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821854878 607173791 /nfs/dbraw/zinc/17/37/91/607173791.db2.gz ZFYFOOZAQMLINU-HNNXBMFYSA-N -1 3 391.353 3.830 20 0 GHADHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821854878 607173792 /nfs/dbraw/zinc/17/37/92/607173792.db2.gz ZFYFOOZAQMLINU-HNNXBMFYSA-N -1 3 391.353 3.830 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000822744379 607174654 /nfs/dbraw/zinc/17/46/54/607174654.db2.gz RDUMSJIZXOUUQK-CYBMUJFWSA-N -1 3 384.484 3.725 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1cccc(F)c1)C1CC1 ZINC000823313443 607197544 /nfs/dbraw/zinc/19/75/44/607197544.db2.gz AUYLDVXIPDWSBS-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1cccc(F)c1)C1CC1 ZINC000823313443 607197545 /nfs/dbraw/zinc/19/75/45/607197545.db2.gz AUYLDVXIPDWSBS-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1OCC(F)F ZINC000823319071 607198646 /nfs/dbraw/zinc/19/86/46/607198646.db2.gz QCXVMWXVYVLAOK-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1OCC(F)F ZINC000823319071 607198647 /nfs/dbraw/zinc/19/86/47/607198647.db2.gz QCXVMWXVYVLAOK-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCC(C(F)(F)F)CC1 ZINC000823318274 607201376 /nfs/dbraw/zinc/20/13/76/607201376.db2.gz AYIGJSBUDVJIMK-UHFFFAOYSA-N -1 3 388.781 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCC(C(F)(F)F)CC1 ZINC000823318274 607201377 /nfs/dbraw/zinc/20/13/77/607201377.db2.gz AYIGJSBUDVJIMK-UHFFFAOYSA-N -1 3 388.781 3.763 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822235224 607201790 /nfs/dbraw/zinc/20/17/90/607201790.db2.gz XTBBXVMEEXHCEO-ZDUSSCGKSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822235224 607201791 /nfs/dbraw/zinc/20/17/91/607201791.db2.gz XTBBXVMEEXHCEO-ZDUSSCGKSA-N -1 3 384.871 3.923 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(C)cs1 ZINC000820920266 607204296 /nfs/dbraw/zinc/20/42/96/607204296.db2.gz OJTGJTLDDIHOBK-LLVKDONJSA-N -1 3 377.861 3.558 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C)cs1 ZINC000820920266 607204297 /nfs/dbraw/zinc/20/42/97/607204297.db2.gz OJTGJTLDDIHOBK-LLVKDONJSA-N -1 3 377.861 3.558 20 0 GHADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820301710 607229905 /nfs/dbraw/zinc/22/99/05/607229905.db2.gz ZYURLSWCCZOSMM-HNNXBMFYSA-N -1 3 399.454 3.600 20 0 GHADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820301710 607229906 /nfs/dbraw/zinc/22/99/06/607229906.db2.gz ZYURLSWCCZOSMM-HNNXBMFYSA-N -1 3 399.454 3.600 20 0 GHADHM CCCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000821134488 607237488 /nfs/dbraw/zinc/23/74/88/607237488.db2.gz XKIPKKGLNFUVDD-UHFFFAOYSA-N -1 3 395.463 3.760 20 0 GHADHM CCCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000821134488 607237489 /nfs/dbraw/zinc/23/74/89/607237489.db2.gz XKIPKKGLNFUVDD-UHFFFAOYSA-N -1 3 395.463 3.760 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822928004 607241835 /nfs/dbraw/zinc/24/18/35/607241835.db2.gz CKBSMZXUVOODSC-NTMALXAHSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822928004 607241836 /nfs/dbraw/zinc/24/18/36/607241836.db2.gz CKBSMZXUVOODSC-NTMALXAHSA-N -1 3 376.807 3.720 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820937735 607242205 /nfs/dbraw/zinc/24/22/05/607242205.db2.gz CHEAJXMGEXSBCT-RBOXIYTFSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820937735 607242206 /nfs/dbraw/zinc/24/22/06/607242206.db2.gz CHEAJXMGEXSBCT-RBOXIYTFSA-N -1 3 377.876 3.833 20 0 GHADHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1Oc1ccncc1 ZINC000822227786 607245376 /nfs/dbraw/zinc/24/53/76/607245376.db2.gz VZNZGYKYDPZZFQ-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1Oc1ccncc1 ZINC000822227786 607245377 /nfs/dbraw/zinc/24/53/77/607245377.db2.gz VZNZGYKYDPZZFQ-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)s1 ZINC000819883717 607249329 /nfs/dbraw/zinc/24/93/29/607249329.db2.gz LDWXHANUWKDLPT-ZETCQYMHSA-N -1 3 397.229 3.539 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)s1 ZINC000819883717 607249330 /nfs/dbraw/zinc/24/93/30/607249330.db2.gz LDWXHANUWKDLPT-ZETCQYMHSA-N -1 3 397.229 3.539 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000825609849 607776453 /nfs/dbraw/zinc/77/64/53/607776453.db2.gz STIGIWMAOMNHQH-NSHDSACASA-N -1 3 388.374 3.643 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000825609849 607776454 /nfs/dbraw/zinc/77/64/54/607776454.db2.gz STIGIWMAOMNHQH-NSHDSACASA-N -1 3 388.374 3.643 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000825609848 607776587 /nfs/dbraw/zinc/77/65/87/607776587.db2.gz STIGIWMAOMNHQH-LLVKDONJSA-N -1 3 388.374 3.643 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000825609848 607776588 /nfs/dbraw/zinc/77/65/88/607776588.db2.gz STIGIWMAOMNHQH-LLVKDONJSA-N -1 3 388.374 3.643 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1-c1nnn[n-]1 ZINC000825552664 607784135 /nfs/dbraw/zinc/78/41/35/607784135.db2.gz CPRYFKDHYVEQJB-LLVKDONJSA-N -1 3 399.455 3.894 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1-c1nn[n-]n1 ZINC000825552664 607784136 /nfs/dbraw/zinc/78/41/36/607784136.db2.gz CPRYFKDHYVEQJB-LLVKDONJSA-N -1 3 399.455 3.894 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825829324 607785725 /nfs/dbraw/zinc/78/57/25/607785725.db2.gz BYLFRAJWHMTFOF-UHFFFAOYSA-N -1 3 393.344 3.777 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825829324 607785726 /nfs/dbraw/zinc/78/57/26/607785726.db2.gz BYLFRAJWHMTFOF-UHFFFAOYSA-N -1 3 393.344 3.777 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)s2)c(C)c1 ZINC000826273455 607788433 /nfs/dbraw/zinc/78/84/33/607788433.db2.gz FMKBSEOTUJWDDX-UHFFFAOYSA-N -1 3 390.472 3.884 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)s2)c(C)c1 ZINC000826273455 607788434 /nfs/dbraw/zinc/78/84/34/607788434.db2.gz FMKBSEOTUJWDDX-UHFFFAOYSA-N -1 3 390.472 3.884 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824458638 607790455 /nfs/dbraw/zinc/79/04/55/607790455.db2.gz VONSMWCOQIUNCK-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824458638 607790456 /nfs/dbraw/zinc/79/04/56/607790456.db2.gz VONSMWCOQIUNCK-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccccc2F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385932 607796742 /nfs/dbraw/zinc/79/67/42/607796742.db2.gz VZTIXWOCSWZCQB-UHFFFAOYSA-N -1 3 394.435 3.796 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccccc2F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385932 607796743 /nfs/dbraw/zinc/79/67/43/607796743.db2.gz VZTIXWOCSWZCQB-UHFFFAOYSA-N -1 3 394.435 3.796 20 0 GHADHM CCN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385977 607798671 /nfs/dbraw/zinc/79/86/71/607798671.db2.gz XBQBRDGJPYOOKX-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385977 607798672 /nfs/dbraw/zinc/79/86/72/607798672.db2.gz XBQBRDGJPYOOKX-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(c4ccccn4)CC3)c2c1 ZINC000826263717 607820162 /nfs/dbraw/zinc/82/01/62/607820162.db2.gz NFPXXEWTNOOBMK-UHFFFAOYSA-N -1 3 385.475 3.811 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(c4ccccn4)CC3)c2c1 ZINC000826263717 607820163 /nfs/dbraw/zinc/82/01/63/607820163.db2.gz NFPXXEWTNOOBMK-UHFFFAOYSA-N -1 3 385.475 3.811 20 0 GHADHM CCc1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000825712745 607833422 /nfs/dbraw/zinc/83/34/22/607833422.db2.gz WVSARTWZQBJGKB-UHFFFAOYSA-N -1 3 382.276 3.727 20 0 GHADHM CCc1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000825712745 607833423 /nfs/dbraw/zinc/83/34/23/607833423.db2.gz WVSARTWZQBJGKB-UHFFFAOYSA-N -1 3 382.276 3.727 20 0 GHADHM CCN(C(=O)c1cccc(-c2ccccn2)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385851 607861279 /nfs/dbraw/zinc/86/12/79/607861279.db2.gz UIKHRIXMHTYKJJ-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM CCN(C(=O)c1cccc(-c2ccccn2)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385851 607861280 /nfs/dbraw/zinc/86/12/80/607861280.db2.gz UIKHRIXMHTYKJJ-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826323394 607913159 /nfs/dbraw/zinc/91/31/59/607913159.db2.gz CIEWVTXAYQXCMK-ZDUSSCGKSA-N -1 3 384.509 3.517 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826323394 607913160 /nfs/dbraw/zinc/91/31/60/607913160.db2.gz CIEWVTXAYQXCMK-ZDUSSCGKSA-N -1 3 384.509 3.517 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825159170 607950725 /nfs/dbraw/zinc/95/07/25/607950725.db2.gz KPWAAUACQZMQIS-IBGZPJMESA-N -1 3 391.475 3.737 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825159170 607950726 /nfs/dbraw/zinc/95/07/26/607950726.db2.gz KPWAAUACQZMQIS-IBGZPJMESA-N -1 3 391.475 3.737 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408302 607952770 /nfs/dbraw/zinc/95/27/70/607952770.db2.gz ZZUUTZFBPMBSDX-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408302 607952771 /nfs/dbraw/zinc/95/27/71/607952771.db2.gz ZZUUTZFBPMBSDX-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824753459 607954089 /nfs/dbraw/zinc/95/40/89/607954089.db2.gz DETXESVIGJCIJI-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824753459 607954090 /nfs/dbraw/zinc/95/40/90/607954090.db2.gz DETXESVIGJCIJI-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM Cn1cc(-c2ccccc2CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC000826356615 607966538 /nfs/dbraw/zinc/96/65/38/607966538.db2.gz YPMVBOIZYYRZAN-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000825318466 607970231 /nfs/dbraw/zinc/97/02/31/607970231.db2.gz NGPCZWNQUKUILP-UHFFFAOYSA-N -1 3 393.495 3.690 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262452 607979811 /nfs/dbraw/zinc/97/98/11/607979811.db2.gz PFJMSOJAKBNDJX-BFUOFWGJSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262452 607979812 /nfs/dbraw/zinc/97/98/12/607979812.db2.gz PFJMSOJAKBNDJX-BFUOFWGJSA-N -1 3 394.454 3.826 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1CCC(F)(F)F ZINC000826466176 607981625 /nfs/dbraw/zinc/98/16/25/607981625.db2.gz RLNGOPSSFOFYSZ-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1CCC(F)(F)F ZINC000826466176 607981626 /nfs/dbraw/zinc/98/16/26/607981626.db2.gz RLNGOPSSFOFYSZ-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000826191127 608000062 /nfs/dbraw/zinc/00/00/62/608000062.db2.gz XVKGNOZPZMOSCZ-LBPRGKRZSA-N -1 3 397.504 3.633 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000826191127 608000063 /nfs/dbraw/zinc/00/00/63/608000063.db2.gz XVKGNOZPZMOSCZ-LBPRGKRZSA-N -1 3 397.504 3.633 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347837 608008398 /nfs/dbraw/zinc/00/83/98/608008398.db2.gz PFRUKSQPAFWYDY-FQEVSTJZSA-N -1 3 375.476 3.896 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347837 608008399 /nfs/dbraw/zinc/00/83/99/608008399.db2.gz PFRUKSQPAFWYDY-FQEVSTJZSA-N -1 3 375.476 3.896 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1scnc1C1CC1 ZINC000826460971 608024835 /nfs/dbraw/zinc/02/48/35/608024835.db2.gz ZWCSGOKFXWLZNZ-UHFFFAOYSA-N -1 3 386.506 3.783 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1scnc1C1CC1 ZINC000826460971 608024836 /nfs/dbraw/zinc/02/48/36/608024836.db2.gz ZWCSGOKFXWLZNZ-UHFFFAOYSA-N -1 3 386.506 3.783 20 0 GHADHM COCc1noc(-c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826165587 608050221 /nfs/dbraw/zinc/05/02/21/608050221.db2.gz BLVXBZGTWNWHSX-UHFFFAOYSA-N -1 3 384.783 3.509 20 0 GHADHM COCc1noc(-c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826165587 608050222 /nfs/dbraw/zinc/05/02/22/608050222.db2.gz BLVXBZGTWNWHSX-UHFFFAOYSA-N -1 3 384.783 3.509 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000826262924 608057685 /nfs/dbraw/zinc/05/76/85/608057685.db2.gz DARMNYQPBALOLN-GFCCVEGCSA-N -1 3 379.449 3.782 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000826262924 608057686 /nfs/dbraw/zinc/05/76/86/608057686.db2.gz DARMNYQPBALOLN-GFCCVEGCSA-N -1 3 379.449 3.782 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000826185351 608060186 /nfs/dbraw/zinc/06/01/86/608060186.db2.gz HQUAFJZJOMZOQK-CQSZACIVSA-N -1 3 379.464 3.816 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000826185351 608060187 /nfs/dbraw/zinc/06/01/87/608060187.db2.gz HQUAFJZJOMZOQK-CQSZACIVSA-N -1 3 379.464 3.816 20 0 GHADHM O=C(CSCC(F)(F)F)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826419949 608061466 /nfs/dbraw/zinc/06/14/66/608061466.db2.gz SIBISWYPQZRTBN-UHFFFAOYSA-N -1 3 399.423 3.829 20 0 GHADHM O=C(CSCC(F)(F)F)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826419949 608061467 /nfs/dbraw/zinc/06/14/67/608061467.db2.gz SIBISWYPQZRTBN-UHFFFAOYSA-N -1 3 399.423 3.829 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC(C)(C)C1 ZINC000824876863 608081479 /nfs/dbraw/zinc/08/14/79/608081479.db2.gz UPQGVQAZQPSATD-JTDSTZFVSA-N -1 3 397.523 3.619 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC(C)(C)C1 ZINC000824876863 608081480 /nfs/dbraw/zinc/08/14/80/608081480.db2.gz UPQGVQAZQPSATD-JTDSTZFVSA-N -1 3 397.523 3.619 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826457025 608087545 /nfs/dbraw/zinc/08/75/45/608087545.db2.gz JFAQQTCVEUUYDB-UHFFFAOYSA-N -1 3 390.378 3.707 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824763487 608097110 /nfs/dbraw/zinc/09/71/10/608097110.db2.gz MPYZQKNDBUHABY-NSHDSACASA-N -1 3 396.501 3.620 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824763487 608097111 /nfs/dbraw/zinc/09/71/11/608097111.db2.gz MPYZQKNDBUHABY-NSHDSACASA-N -1 3 396.501 3.620 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824867277 608119491 /nfs/dbraw/zinc/11/94/91/608119491.db2.gz OZIJXDVCOFWPDL-DZGCQCFKSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824867277 608119492 /nfs/dbraw/zinc/11/94/92/608119492.db2.gz OZIJXDVCOFWPDL-DZGCQCFKSA-N -1 3 391.431 3.603 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](SC)C(C)(C)C ZINC000825317821 608127122 /nfs/dbraw/zinc/12/71/22/608127122.db2.gz CWEWOIKSEIXGMP-INIZCTEOSA-N -1 3 390.557 3.566 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](SC)C(C)(C)C ZINC000825317821 608127123 /nfs/dbraw/zinc/12/71/23/608127123.db2.gz CWEWOIKSEIXGMP-INIZCTEOSA-N -1 3 390.557 3.566 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000825694653 608155539 /nfs/dbraw/zinc/15/55/39/608155539.db2.gz YHLOABKHXCMCAH-UHFFFAOYSA-N -1 3 399.476 3.698 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000825694653 608155542 /nfs/dbraw/zinc/15/55/42/608155542.db2.gz YHLOABKHXCMCAH-UHFFFAOYSA-N -1 3 399.476 3.698 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824347809 608155790 /nfs/dbraw/zinc/15/57/90/608155790.db2.gz ONWAIMMJFWSAKP-ONEGZZNKSA-N -1 3 379.439 3.849 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824347809 608155791 /nfs/dbraw/zinc/15/57/91/608155791.db2.gz ONWAIMMJFWSAKP-ONEGZZNKSA-N -1 3 379.439 3.849 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCc2cc(Br)ccc21 ZINC000826471569 608169419 /nfs/dbraw/zinc/16/94/19/608169419.db2.gz FBFHHGDSRKGNJD-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCc2cc(Br)ccc21 ZINC000826471569 608169421 /nfs/dbraw/zinc/16/94/21/608169421.db2.gz FBFHHGDSRKGNJD-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM O=C(Nc1cc(Cl)[nH]n1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826451310 608200497 /nfs/dbraw/zinc/20/04/97/608200497.db2.gz AGUHPJJWLUHWRN-UHFFFAOYSA-N -1 3 397.851 3.647 20 0 GHADHM O=C(Nc1cc(Cl)[nH]n1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826451310 608200498 /nfs/dbraw/zinc/20/04/98/608200498.db2.gz AGUHPJJWLUHWRN-UHFFFAOYSA-N -1 3 397.851 3.647 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000824757164 608206028 /nfs/dbraw/zinc/20/60/28/608206028.db2.gz TTWRFUWMRDTKKD-NTZNESFSSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000824757164 608206030 /nfs/dbraw/zinc/20/60/30/608206030.db2.gz TTWRFUWMRDTKKD-NTZNESFSSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824384421 608219228 /nfs/dbraw/zinc/21/92/28/608219228.db2.gz BNFZLPHEYQINIC-AWEZNQCLSA-N -1 3 383.883 3.747 20 0 GHADHM C[C@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824384421 608219230 /nfs/dbraw/zinc/21/92/30/608219230.db2.gz BNFZLPHEYQINIC-AWEZNQCLSA-N -1 3 383.883 3.747 20 0 GHADHM Cc1nc([C@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)sc1C ZINC000826324940 608225525 /nfs/dbraw/zinc/22/55/25/608225525.db2.gz JFHUUSWDAIWBEG-INIZCTEOSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)sc1C ZINC000826324940 608225528 /nfs/dbraw/zinc/22/55/28/608225528.db2.gz JFHUUSWDAIWBEG-INIZCTEOSA-N -1 3 391.504 3.872 20 0 GHADHM C[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000825000744 608230099 /nfs/dbraw/zinc/23/00/99/608230099.db2.gz UFZFCUHBXKSBBY-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000825000744 608230101 /nfs/dbraw/zinc/23/01/01/608230101.db2.gz UFZFCUHBXKSBBY-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM O[C@H](C[C@@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826503120 608230838 /nfs/dbraw/zinc/23/08/38/608230838.db2.gz RBMCURKVRVOLJQ-AZUAARDMSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@H](C[C@@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826503120 608230840 /nfs/dbraw/zinc/23/08/40/608230840.db2.gz RBMCURKVRVOLJQ-AZUAARDMSA-N -1 3 386.459 3.507 20 0 GHADHM Cc1sc(NC(=O)c2ccnc(OC3CCCCC3)c2)c(-c2nnn[n-]2)c1C ZINC000826350045 608259232 /nfs/dbraw/zinc/25/92/32/608259232.db2.gz FZBFCNKJJXKCNR-UHFFFAOYSA-N -1 3 398.492 3.904 20 0 GHADHM Cc1sc(NC(=O)c2ccnc(OC3CCCCC3)c2)c(-c2nn[n-]n2)c1C ZINC000826350045 608259234 /nfs/dbraw/zinc/25/92/34/608259234.db2.gz FZBFCNKJJXKCNR-UHFFFAOYSA-N -1 3 398.492 3.904 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000826173497 608260986 /nfs/dbraw/zinc/26/09/86/608260986.db2.gz HBAGNBRYHXFTIL-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000826173497 608260988 /nfs/dbraw/zinc/26/09/88/608260988.db2.gz HBAGNBRYHXFTIL-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccccc2C)o1 ZINC000826173853 608261416 /nfs/dbraw/zinc/26/14/16/608261416.db2.gz XZVCWPLGKISGGF-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccccc2C)o1 ZINC000826173853 608261418 /nfs/dbraw/zinc/26/14/18/608261418.db2.gz XZVCWPLGKISGGF-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM CCN(C(=O)c1ccc(F)c(SC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385907 608269213 /nfs/dbraw/zinc/26/92/13/608269213.db2.gz VIICJJCPVWHQES-GFCCVEGCSA-N -1 3 385.468 3.951 20 0 GHADHM CCN(C(=O)c1ccc(F)c(SC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385907 608269216 /nfs/dbraw/zinc/26/92/16/608269216.db2.gz VIICJJCPVWHQES-GFCCVEGCSA-N -1 3 385.468 3.951 20 0 GHADHM Cc1cccc([C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c2ccccn2)c1 ZINC000826297199 608272723 /nfs/dbraw/zinc/27/27/23/608272723.db2.gz YLUHCALVUBPCDA-HXUWFJFHSA-N -1 3 399.458 3.790 20 0 GHADHM Cc1cccc([C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c2ccccn2)c1 ZINC000826297199 608272724 /nfs/dbraw/zinc/27/27/24/608272724.db2.gz YLUHCALVUBPCDA-HXUWFJFHSA-N -1 3 399.458 3.790 20 0 GHADHM CCOc1ccc(Cl)cc1[C@H](C)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825638472 608284750 /nfs/dbraw/zinc/28/47/50/608284750.db2.gz LNLBWLIGURHHAG-NSHDSACASA-N -1 3 375.835 3.909 20 0 GHADHM Cc1c(NC(=O)[C@H](C)c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000826241081 608308313 /nfs/dbraw/zinc/30/83/13/608308313.db2.gz QJHGDTCTMDYQHJ-SNVBAGLBSA-N -1 3 386.253 3.680 20 0 GHADHM Cc1c(NC(=O)[C@H](C)c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000826241081 608308315 /nfs/dbraw/zinc/30/83/15/608308315.db2.gz QJHGDTCTMDYQHJ-SNVBAGLBSA-N -1 3 386.253 3.680 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367910 608344932 /nfs/dbraw/zinc/34/49/32/608344932.db2.gz XHEOFQNHIPVTID-KRWDZBQOSA-N -1 3 399.907 3.904 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367910 608344934 /nfs/dbraw/zinc/34/49/34/608344934.db2.gz XHEOFQNHIPVTID-KRWDZBQOSA-N -1 3 399.907 3.904 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccco1)Cc1ccccc1 ZINC000826168744 608354617 /nfs/dbraw/zinc/35/46/17/608354617.db2.gz XEPDXNPEWMXZRB-UHFFFAOYSA-N -1 3 375.432 3.671 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccco1)Cc1ccccc1 ZINC000826168744 608354618 /nfs/dbraw/zinc/35/46/18/608354618.db2.gz XEPDXNPEWMXZRB-UHFFFAOYSA-N -1 3 375.432 3.671 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000824329571 608379652 /nfs/dbraw/zinc/37/96/52/608379652.db2.gz RJQLLLVEMDHGFS-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000824329571 608379654 /nfs/dbraw/zinc/37/96/54/608379654.db2.gz RJQLLLVEMDHGFS-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM Clc1ccc2c(c1)ncnc2N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826352632 608442090 /nfs/dbraw/zinc/44/20/90/608442090.db2.gz IIWSAXJTNKFCQQ-UHFFFAOYSA-N -1 3 389.850 3.757 20 0 GHADHM Clc1ccc2c(c1)ncnc2N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826352632 608442091 /nfs/dbraw/zinc/44/20/91/608442091.db2.gz IIWSAXJTNKFCQQ-UHFFFAOYSA-N -1 3 389.850 3.757 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826324011 608458815 /nfs/dbraw/zinc/45/88/15/608458815.db2.gz AYACPVIWXRRFHS-UHFFFAOYSA-N -1 3 396.520 3.952 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826324011 608458816 /nfs/dbraw/zinc/45/88/16/608458816.db2.gz AYACPVIWXRRFHS-UHFFFAOYSA-N -1 3 396.520 3.952 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000824633210 608471746 /nfs/dbraw/zinc/47/17/46/608471746.db2.gz HYEJNKCGKDVIKS-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000824633210 608471748 /nfs/dbraw/zinc/47/17/48/608471748.db2.gz HYEJNKCGKDVIKS-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)c(Cl)c1 ZINC000824633010 608471895 /nfs/dbraw/zinc/47/18/95/608471895.db2.gz GJLYWBDATOPRNF-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)c(Cl)c1 ZINC000824633010 608471896 /nfs/dbraw/zinc/47/18/96/608471896.db2.gz GJLYWBDATOPRNF-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM Cn1ccc2ccc(NC(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc21 ZINC000826363578 608472524 /nfs/dbraw/zinc/47/25/24/608472524.db2.gz SWMUBUQDZWOPHK-UHFFFAOYSA-N -1 3 399.458 3.680 20 0 GHADHM Cn1ccc2ccc(NC(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cc21 ZINC000826363578 608472525 /nfs/dbraw/zinc/47/25/25/608472525.db2.gz SWMUBUQDZWOPHK-UHFFFAOYSA-N -1 3 399.458 3.680 20 0 GHADHM Cc1ccc(C(C)(C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826282298 608480615 /nfs/dbraw/zinc/48/06/15/608480615.db2.gz HNZMOZVMHYCYPK-UHFFFAOYSA-N -1 3 387.487 3.769 20 0 GHADHM Cc1ccc(C(C)(C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826282298 608480616 /nfs/dbraw/zinc/48/06/16/608480616.db2.gz HNZMOZVMHYCYPK-UHFFFAOYSA-N -1 3 387.487 3.769 20 0 GHADHM O=C(Nc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000826457462 608481299 /nfs/dbraw/zinc/48/12/99/608481299.db2.gz CBWFHVMUKZIEFO-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000826457462 608481301 /nfs/dbraw/zinc/48/13/01/608481301.db2.gz CBWFHVMUKZIEFO-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM C[C@H](NCc1csc(CCc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627043 608482526 /nfs/dbraw/zinc/48/25/26/608482526.db2.gz SUIMEOIYIPLDEL-HNNXBMFYSA-N -1 3 390.516 3.959 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1(C)C ZINC000824176780 608482643 /nfs/dbraw/zinc/48/26/43/608482643.db2.gz AEVITSDHBYBZSZ-MOPGFXCFSA-N -1 3 377.492 3.721 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1(C)C ZINC000824176780 608482644 /nfs/dbraw/zinc/48/26/44/608482644.db2.gz AEVITSDHBYBZSZ-MOPGFXCFSA-N -1 3 377.492 3.721 20 0 GHADHM O=C(Cc1cccc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826423560 608485356 /nfs/dbraw/zinc/48/53/56/608485356.db2.gz VGFLZGRGQSSNAY-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(Cc1cccc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826423560 608485358 /nfs/dbraw/zinc/48/53/58/608485358.db2.gz VGFLZGRGQSSNAY-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM CC[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000825132861 608491544 /nfs/dbraw/zinc/49/15/44/608491544.db2.gz DVDXNFXCEVGKDU-FQEVSTJZSA-N -1 3 388.475 3.817 20 0 GHADHM CC[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000825132861 608491547 /nfs/dbraw/zinc/49/15/47/608491547.db2.gz DVDXNFXCEVGKDU-FQEVSTJZSA-N -1 3 388.475 3.817 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000825830246 608540372 /nfs/dbraw/zinc/54/03/72/608540372.db2.gz QHORJYKIODIHGZ-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000825830246 608540374 /nfs/dbraw/zinc/54/03/74/608540374.db2.gz QHORJYKIODIHGZ-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825829683 608546108 /nfs/dbraw/zinc/54/61/08/608546108.db2.gz IUXTVNOSXVOCBP-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825829683 608546109 /nfs/dbraw/zinc/54/61/09/608546109.db2.gz IUXTVNOSXVOCBP-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CSc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230826 608547500 /nfs/dbraw/zinc/54/75/00/608547500.db2.gz LAQSCRGDJFUUKB-QGZVFWFLSA-N -1 3 394.504 3.505 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1c(F)cccc1Cl ZINC000824632787 608553457 /nfs/dbraw/zinc/55/34/57/608553457.db2.gz DWDYCSOLSNCHJR-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1c(F)cccc1Cl ZINC000824632787 608553458 /nfs/dbraw/zinc/55/34/58/608553458.db2.gz DWDYCSOLSNCHJR-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826455417 608561281 /nfs/dbraw/zinc/56/12/81/608561281.db2.gz NGSFRFYYASNIQD-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826455417 608561282 /nfs/dbraw/zinc/56/12/82/608561282.db2.gz NGSFRFYYASNIQD-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM CCCOc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825338713 608561507 /nfs/dbraw/zinc/56/15/07/608561507.db2.gz FYKGVIQANZPXQP-UHFFFAOYSA-N -1 3 395.463 3.843 20 0 GHADHM CCCOc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825338713 608561509 /nfs/dbraw/zinc/56/15/09/608561509.db2.gz FYKGVIQANZPXQP-UHFFFAOYSA-N -1 3 395.463 3.843 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459938 608572637 /nfs/dbraw/zinc/57/26/37/608572637.db2.gz GMTWOOJTVXXXLQ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459938 608572638 /nfs/dbraw/zinc/57/26/38/608572638.db2.gz GMTWOOJTVXXXLQ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826458026 608574410 /nfs/dbraw/zinc/57/44/10/608574410.db2.gz ZSPXQIPNXCBXTD-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826458026 608574411 /nfs/dbraw/zinc/57/44/11/608574411.db2.gz ZSPXQIPNXCBXTD-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457898 608574819 /nfs/dbraw/zinc/57/48/19/608574819.db2.gz VEILDTYGKKPTFD-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457898 608574821 /nfs/dbraw/zinc/57/48/21/608574821.db2.gz VEILDTYGKKPTFD-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000825379952 608575260 /nfs/dbraw/zinc/57/52/60/608575260.db2.gz MTWXBSGVUHILIE-LBPRGKRZSA-N -1 3 385.855 3.752 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000825379952 608575262 /nfs/dbraw/zinc/57/52/62/608575262.db2.gz MTWXBSGVUHILIE-LBPRGKRZSA-N -1 3 385.855 3.752 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824937270 608597201 /nfs/dbraw/zinc/59/72/01/608597201.db2.gz PDBUXDBYDZGYBZ-UONOGXRCSA-N -1 3 393.451 3.706 20 0 GHADHM Cn1cccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826363327 608612711 /nfs/dbraw/zinc/61/27/11/608612711.db2.gz HTXVNARGPROQHC-UHFFFAOYSA-N -1 3 376.439 3.547 20 0 GHADHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(C)cc1Br ZINC000826257429 608615759 /nfs/dbraw/zinc/61/57/59/608615759.db2.gz BZQKEHDBNJEQFY-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(C)cc1Br ZINC000826257429 608615760 /nfs/dbraw/zinc/61/57/60/608615760.db2.gz BZQKEHDBNJEQFY-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000825653316 608668836 /nfs/dbraw/zinc/66/88/36/608668836.db2.gz AIDJTLGMBYAWDP-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000825653316 608668837 /nfs/dbraw/zinc/66/88/37/608668837.db2.gz AIDJTLGMBYAWDP-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM Cc1cc2cc(CN3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)oc2cc1C ZINC000826272836 608854345 /nfs/dbraw/zinc/85/43/45/608854345.db2.gz DGCXFIYYVZQNHJ-NRFANRHFSA-N -1 3 389.459 3.803 20 0 GHADHM Fc1cccc(F)c1[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)C(F)(F)F ZINC000826377607 609152336 /nfs/dbraw/zinc/15/23/36/609152336.db2.gz YNQAKLUWPAUSGU-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc(F)c1[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)C(F)(F)F ZINC000826377607 609152338 /nfs/dbraw/zinc/15/23/38/609152338.db2.gz YNQAKLUWPAUSGU-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826454059 609159139 /nfs/dbraw/zinc/15/91/39/609159139.db2.gz IHLYIEMXKCQFIP-YHWKNFMLSA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826454059 609159140 /nfs/dbraw/zinc/15/91/40/609159140.db2.gz IHLYIEMXKCQFIP-YHWKNFMLSA-N -1 3 378.411 3.716 20 0 GHADHM Cc1ccsc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826315408 609166218 /nfs/dbraw/zinc/16/62/18/609166218.db2.gz IWLYENRNVPEYME-UHFFFAOYSA-N -1 3 378.461 3.896 20 0 GHADHM Cc1ccsc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826315408 609166220 /nfs/dbraw/zinc/16/62/20/609166220.db2.gz IWLYENRNVPEYME-UHFFFAOYSA-N -1 3 378.461 3.896 20 0 GHADHM COc1csc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)c1 ZINC000826221401 609167408 /nfs/dbraw/zinc/16/74/08/609167408.db2.gz CXONBHFMIATQSH-UHFFFAOYSA-N -1 3 394.460 3.597 20 0 GHADHM COc1csc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)c1 ZINC000826221401 609167409 /nfs/dbraw/zinc/16/74/09/609167409.db2.gz CXONBHFMIATQSH-UHFFFAOYSA-N -1 3 394.460 3.597 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccc2nccn21 ZINC000826455233 609181308 /nfs/dbraw/zinc/18/13/08/609181308.db2.gz FTQWHIWQPAGAEI-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM Cc1cc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826262162 609241078 /nfs/dbraw/zinc/24/10/78/609241078.db2.gz FYYDEJVOCHXMKZ-CYBMUJFWSA-N -1 3 398.536 3.679 20 0 GHADHM Cc1cc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826262162 609241080 /nfs/dbraw/zinc/24/10/80/609241080.db2.gz FYYDEJVOCHXMKZ-CYBMUJFWSA-N -1 3 398.536 3.679 20 0 GHADHM C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656838 609247256 /nfs/dbraw/zinc/24/72/56/609247256.db2.gz NIKIGCSPXOTUJM-MRXNPFEDSA-N -1 3 390.491 3.595 20 0 GHADHM C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656838 609247257 /nfs/dbraw/zinc/24/72/57/609247257.db2.gz NIKIGCSPXOTUJM-MRXNPFEDSA-N -1 3 390.491 3.595 20 0 GHADHM CC(C)(c1nnc(NCc2ccc(-c3nnn[n-]3)cc2F)s1)c1ccccc1 ZINC000824178147 609265756 /nfs/dbraw/zinc/26/57/56/609265756.db2.gz NHDDCTNTRXTIEZ-UHFFFAOYSA-N -1 3 395.467 3.795 20 0 GHADHM CC(C)(c1nnc(NCc2ccc(-c3nn[n-]n3)cc2F)s1)c1ccccc1 ZINC000824178147 609265758 /nfs/dbraw/zinc/26/57/58/609265758.db2.gz NHDDCTNTRXTIEZ-UHFFFAOYSA-N -1 3 395.467 3.795 20 0 GHADHM COc1ccc(Oc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cn2)cc1 ZINC000826211521 609266611 /nfs/dbraw/zinc/26/66/11/609266611.db2.gz IIDZYOKQDJZWLE-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1ccc(Oc2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cn2)cc1 ZINC000826211521 609266612 /nfs/dbraw/zinc/26/66/12/609266612.db2.gz IIDZYOKQDJZWLE-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656812 609269999 /nfs/dbraw/zinc/26/99/99/609269999.db2.gz NBSXUOUIRSVBRU-SVIJTADQSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656812 609270001 /nfs/dbraw/zinc/27/00/01/609270001.db2.gz NBSXUOUIRSVBRU-SVIJTADQSA-N -1 3 397.454 3.861 20 0 GHADHM COCc1c(Br)cccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826164139 609277219 /nfs/dbraw/zinc/27/72/19/609277219.db2.gz CPXWBNLWGGFWJR-LLVKDONJSA-N -1 3 388.269 3.949 20 0 GHADHM COCc1c(Br)cccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826164139 609277221 /nfs/dbraw/zinc/27/72/21/609277221.db2.gz CPXWBNLWGGFWJR-LLVKDONJSA-N -1 3 388.269 3.949 20 0 GHADHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc(OC)c1C(C)C ZINC000826177806 609280532 /nfs/dbraw/zinc/28/05/32/609280532.db2.gz WGEKZMZGDQWYCK-UHFFFAOYSA-N -1 3 381.436 3.568 20 0 GHADHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc(OC)c1C(C)C ZINC000826177806 609280533 /nfs/dbraw/zinc/28/05/33/609280533.db2.gz WGEKZMZGDQWYCK-UHFFFAOYSA-N -1 3 381.436 3.568 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2ccc(-c3nnn[n-]3)nc2)on1 ZINC000826213606 609324536 /nfs/dbraw/zinc/32/45/36/609324536.db2.gz DLBGOMZNOAAIJK-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2ccc(-c3nn[n-]n3)nc2)on1 ZINC000826213606 609324538 /nfs/dbraw/zinc/32/45/38/609324538.db2.gz DLBGOMZNOAAIJK-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM CCc1cc(NC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)ccc1C ZINC000825700656 609328746 /nfs/dbraw/zinc/32/87/46/609328746.db2.gz ODHLOLKPHYWTSF-UHFFFAOYSA-N -1 3 395.463 3.544 20 0 GHADHM CCc1cc(NC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)ccc1C ZINC000825700656 609328748 /nfs/dbraw/zinc/32/87/48/609328748.db2.gz ODHLOLKPHYWTSF-UHFFFAOYSA-N -1 3 395.463 3.544 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825599089 609346326 /nfs/dbraw/zinc/34/63/26/609346326.db2.gz HFEHNKAJHHEAHG-AWEZNQCLSA-N -1 3 385.443 3.732 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825599089 609346328 /nfs/dbraw/zinc/34/63/28/609346328.db2.gz HFEHNKAJHHEAHG-AWEZNQCLSA-N -1 3 385.443 3.732 20 0 GHADHM CSc1cc2c(cc1N[C@H](C)c1ccc(-c3nnn[n-]3)cc1F)OCCO2 ZINC000826230334 609349862 /nfs/dbraw/zinc/34/98/62/609349862.db2.gz OAYXYRZMABKHDC-SNVBAGLBSA-N -1 3 387.440 3.672 20 0 GHADHM CSc1cc2c(cc1N[C@H](C)c1ccc(-c3nn[n-]n3)cc1F)OCCO2 ZINC000826230334 609349863 /nfs/dbraw/zinc/34/98/63/609349863.db2.gz OAYXYRZMABKHDC-SNVBAGLBSA-N -1 3 387.440 3.672 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824874087 609363774 /nfs/dbraw/zinc/36/37/74/609363774.db2.gz BEFPYQXYDRZIRD-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824874087 609363776 /nfs/dbraw/zinc/36/37/76/609363776.db2.gz BEFPYQXYDRZIRD-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328643 609366947 /nfs/dbraw/zinc/36/69/47/609366947.db2.gz YHLYBWMDYCGDDN-SNVBAGLBSA-N -1 3 379.449 3.668 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328643 609366952 /nfs/dbraw/zinc/36/69/52/609366952.db2.gz YHLYBWMDYCGDDN-SNVBAGLBSA-N -1 3 379.449 3.668 20 0 GHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824216221 609370607 /nfs/dbraw/zinc/37/06/07/609370607.db2.gz PEASKQAMJNUBPK-TZMCWYRMSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824216221 609370609 /nfs/dbraw/zinc/37/06/09/609370609.db2.gz PEASKQAMJNUBPK-TZMCWYRMSA-N -1 3 389.525 3.587 20 0 GHADHM CCOCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825594320 609386294 /nfs/dbraw/zinc/38/62/94/609386294.db2.gz KFNKVGWVDJZOTM-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM CCOCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825594320 609386296 /nfs/dbraw/zinc/38/62/96/609386296.db2.gz KFNKVGWVDJZOTM-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000826245991 609406361 /nfs/dbraw/zinc/40/63/61/609406361.db2.gz OEPXXRVVKYYYOY-KRWDZBQOSA-N -1 3 393.344 3.522 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000826245991 609406363 /nfs/dbraw/zinc/40/63/63/609406363.db2.gz OEPXXRVVKYYYOY-KRWDZBQOSA-N -1 3 393.344 3.522 20 0 GHADHM O=C(CNc1csc2ccccc12)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826414196 609440224 /nfs/dbraw/zinc/44/02/24/609440224.db2.gz JUOCNDIISVXION-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM O=C(CNc1csc2ccccc12)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826414196 609440226 /nfs/dbraw/zinc/44/02/26/609440226.db2.gz JUOCNDIISVXION-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825232406 609450483 /nfs/dbraw/zinc/45/04/83/609450483.db2.gz GUAWWNHPEXMOJU-UWVGGRQHSA-N -1 3 387.431 3.671 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825232406 609450485 /nfs/dbraw/zinc/45/04/85/609450485.db2.gz GUAWWNHPEXMOJU-UWVGGRQHSA-N -1 3 387.431 3.671 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000824207699 609451998 /nfs/dbraw/zinc/45/19/98/609451998.db2.gz ZMUDZUOFKNMISD-CQSZACIVSA-N -1 3 399.442 3.625 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000824207699 609451999 /nfs/dbraw/zinc/45/19/99/609451999.db2.gz ZMUDZUOFKNMISD-CQSZACIVSA-N -1 3 399.442 3.625 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826440493 609453360 /nfs/dbraw/zinc/45/33/60/609453360.db2.gz OGSDIDVAKORCMZ-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826440493 609453361 /nfs/dbraw/zinc/45/33/61/609453361.db2.gz OGSDIDVAKORCMZ-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM CCOc1cccc2cc([C@@H](C)Nc3nc4ccccn4c3-c3nnn[n-]3)oc21 ZINC000825654332 609456695 /nfs/dbraw/zinc/45/66/95/609456695.db2.gz XLWCSIBWNIEKNB-GFCCVEGCSA-N -1 3 389.419 3.832 20 0 GHADHM CCOc1cccc2cc([C@@H](C)Nc3nc4ccccn4c3-c3nn[n-]n3)oc21 ZINC000825654332 609456696 /nfs/dbraw/zinc/45/66/96/609456696.db2.gz XLWCSIBWNIEKNB-GFCCVEGCSA-N -1 3 389.419 3.832 20 0 GHADHM CC(C)Oc1ccc(NCc2cn(C)nc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824329380 609492051 /nfs/dbraw/zinc/49/20/51/609492051.db2.gz NZDCQDSHIDRDAB-UHFFFAOYSA-N -1 3 389.463 3.667 20 0 GHADHM CC(C)Oc1ccc(NCc2cn(C)nc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824329380 609492053 /nfs/dbraw/zinc/49/20/53/609492053.db2.gz NZDCQDSHIDRDAB-UHFFFAOYSA-N -1 3 389.463 3.667 20 0 GHADHM CCOc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1OC ZINC000825639471 609493465 /nfs/dbraw/zinc/49/34/65/609493465.db2.gz WZPXALFQMFDYFL-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CCOc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1OC ZINC000825639471 609493466 /nfs/dbraw/zinc/49/34/66/609493466.db2.gz WZPXALFQMFDYFL-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260624 609506874 /nfs/dbraw/zinc/50/68/74/609506874.db2.gz XQVPJUGEZRJHRE-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260624 609506875 /nfs/dbraw/zinc/50/68/75/609506875.db2.gz XQVPJUGEZRJHRE-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM CC(C)OCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309905 609511019 /nfs/dbraw/zinc/51/10/19/609511019.db2.gz ZQXUKPVNESEAOW-INIZCTEOSA-N -1 3 393.491 3.916 20 0 GHADHM CC(C)OCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309905 609511021 /nfs/dbraw/zinc/51/10/21/609511021.db2.gz ZQXUKPVNESEAOW-INIZCTEOSA-N -1 3 393.491 3.916 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccnc1C1CC1 ZINC000826459746 609511393 /nfs/dbraw/zinc/51/13/93/609511393.db2.gz XVAGPCBKIFFHQP-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccnc1C1CC1 ZINC000826459746 609511395 /nfs/dbraw/zinc/51/13/95/609511395.db2.gz XVAGPCBKIFFHQP-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000825052126 609527583 /nfs/dbraw/zinc/52/75/83/609527583.db2.gz UVDQTWNNOQXBDE-TZMCWYRMSA-N -1 3 380.452 3.983 20 0 GHADHM Cc1ccnc(N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826311313 609534939 /nfs/dbraw/zinc/53/49/39/609534939.db2.gz AJTRKCVKKDOBBL-OAHLLOKOSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccnc(N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826311313 609534942 /nfs/dbraw/zinc/53/49/42/609534942.db2.gz AJTRKCVKKDOBBL-OAHLLOKOSA-N -1 3 399.458 3.996 20 0 GHADHM COc1ccc([C@@H](Nc2nccc(C)c2-c2nnn[n-]2)c2ccc(F)cc2)cc1 ZINC000826188997 609539901 /nfs/dbraw/zinc/53/99/01/609539901.db2.gz LCBNBBVGFYRFBA-IBGZPJMESA-N -1 3 390.422 3.919 20 0 GHADHM COc1ccc([C@@H](Nc2nccc(C)c2-c2nn[n-]n2)c2ccc(F)cc2)cc1 ZINC000826188997 609539902 /nfs/dbraw/zinc/53/99/02/609539902.db2.gz LCBNBBVGFYRFBA-IBGZPJMESA-N -1 3 390.422 3.919 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826238395 609541300 /nfs/dbraw/zinc/54/13/00/609541300.db2.gz FNFZZMYOQSKDQG-GFCCVEGCSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826238395 609541302 /nfs/dbraw/zinc/54/13/02/609541302.db2.gz FNFZZMYOQSKDQG-GFCCVEGCSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826239335 609556950 /nfs/dbraw/zinc/55/69/50/609556950.db2.gz DQESRXWRBOUDFG-GFCCVEGCSA-N -1 3 399.669 3.676 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826239335 609556953 /nfs/dbraw/zinc/55/69/53/609556953.db2.gz DQESRXWRBOUDFG-GFCCVEGCSA-N -1 3 399.669 3.676 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825181657 609591025 /nfs/dbraw/zinc/59/10/25/609591025.db2.gz FMMYEHHXUDGMJG-HZPDHXFCSA-N -1 3 394.431 3.770 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825181657 609591026 /nfs/dbraw/zinc/59/10/26/609591026.db2.gz FMMYEHHXUDGMJG-HZPDHXFCSA-N -1 3 394.431 3.770 20 0 GHADHM CN(C(=O)c1cccc(Br)c1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825829309 609595510 /nfs/dbraw/zinc/59/55/10/609595510.db2.gz BPHPGHNDZOPIGN-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cccc(Br)c1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825829309 609595513 /nfs/dbraw/zinc/59/55/13/609595513.db2.gz BPHPGHNDZOPIGN-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000826250589 609598265 /nfs/dbraw/zinc/59/82/65/609598265.db2.gz IOPVQVJQVFJNOV-HNNXBMFYSA-N -1 3 391.479 3.510 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000826250589 609598269 /nfs/dbraw/zinc/59/82/69/609598269.db2.gz IOPVQVJQVFJNOV-HNNXBMFYSA-N -1 3 391.479 3.510 20 0 GHADHM C[C@H]1C[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC(C)(C)C1 ZINC000824868859 609604217 /nfs/dbraw/zinc/60/42/17/609604217.db2.gz XCIXPEHOKCUQRL-HNAYVOBHSA-N -1 3 379.508 3.945 20 0 GHADHM C[C@H]1C[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824868859 609604219 /nfs/dbraw/zinc/60/42/19/609604219.db2.gz XCIXPEHOKCUQRL-HNAYVOBHSA-N -1 3 379.508 3.945 20 0 GHADHM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000655653649 837542985 /nfs/dbraw/zinc/54/29/85/837542985.db2.gz UMYILXFNEXBHJX-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1F ZINC000187238566 837605285 /nfs/dbraw/zinc/60/52/85/837605285.db2.gz GJOMKYDLJZWWGQ-UHFFFAOYSA-N -1 3 389.390 3.531 20 0 GHADHM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187254040 837610949 /nfs/dbraw/zinc/61/09/49/837610949.db2.gz RIPUNOCBWNKFBW-UHFFFAOYSA-N -1 3 377.448 3.581 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@@H](c4ccccn4)C3)nc2)n1 ZINC000583481257 834465420 /nfs/dbraw/zinc/46/54/20/834465420.db2.gz NETZULOYEZHCJG-SJLPKXTDSA-N -1 3 377.448 3.534 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000169866961 834549806 /nfs/dbraw/zinc/54/98/06/834549806.db2.gz CEZFNBCFOMPTLN-UHFFFAOYSA-N -1 3 380.488 3.724 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000151039903 834587115 /nfs/dbraw/zinc/58/71/15/834587115.db2.gz PMLPFXFBOXUUSG-LJQANCHMSA-N -1 3 393.405 3.758 20 0 GHADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000050867619 834591937 /nfs/dbraw/zinc/59/19/37/834591937.db2.gz NZDJYKLQULIYBK-HTAPYJJXSA-N -1 3 376.456 3.768 20 0 GHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000536086459 834751886 /nfs/dbraw/zinc/75/18/86/834751886.db2.gz IDVUOAIVZMMKNX-SECBINFHSA-N -1 3 378.302 3.995 20 0 GHADHM CC[C@@H](CN(CC)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000583758421 834989935 /nfs/dbraw/zinc/98/99/35/834989935.db2.gz IFNOXTZTFRQEGP-MJGOQNOKSA-N -1 3 382.504 3.905 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000157513306 835053173 /nfs/dbraw/zinc/05/31/73/835053173.db2.gz ZYCDTSBAWMTOIP-UHFFFAOYSA-N -1 3 392.858 3.732 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2nccn3cc(C)nc23)s1)c1ccccc1 ZINC000431598167 835089877 /nfs/dbraw/zinc/08/98/77/835089877.db2.gz AYKQJPQIIOCZNN-CQSZACIVSA-N -1 3 378.461 3.683 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ncccc3F)n2)c(F)cc1F ZINC000512945302 844017217 /nfs/dbraw/zinc/01/72/17/844017217.db2.gz QGENGWANYXMBHD-UHFFFAOYSA-N -1 3 393.346 3.661 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC=CC3)ccc2C)cc1 ZINC000150896598 844019745 /nfs/dbraw/zinc/01/97/45/844019745.db2.gz SRRWVBJJWHAUEO-UHFFFAOYSA-N -1 3 386.473 3.709 20 0 GHADHM COCCOc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000685620848 835229875 /nfs/dbraw/zinc/22/98/75/835229875.db2.gz GOUAZOPJEBKNFV-LBPRGKRZSA-N -1 3 379.840 3.570 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436831855 835330171 /nfs/dbraw/zinc/33/01/71/835330171.db2.gz HEIVYWXJJSWBCF-GFCCVEGCSA-N -1 3 379.334 3.769 20 0 GHADHM CO[C@H](c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1)c1ccc(F)cc1 ZINC000685684669 835333832 /nfs/dbraw/zinc/33/38/32/835333832.db2.gz BUBOIEVLCOZVOW-AWEZNQCLSA-N -1 3 379.750 3.989 20 0 GHADHM CCc1csc(CC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)n1 ZINC000655260274 835440319 /nfs/dbraw/zinc/44/03/19/835440319.db2.gz MWCYALLQCXPWJR-UHFFFAOYSA-N -1 3 381.501 3.642 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000151595597 835577901 /nfs/dbraw/zinc/57/79/01/835577901.db2.gz MOFAFFIVOOFRBA-AAEUAGOBSA-N -1 3 382.204 3.853 20 0 GHADHM COc1cc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CC2)ccc1C ZINC000151609296 835651067 /nfs/dbraw/zinc/65/10/67/835651067.db2.gz AIFRDCVKOANSBV-UHFFFAOYSA-N -1 3 390.277 3.820 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Br)c1cc(F)ccc1Cl ZINC000169098288 835826792 /nfs/dbraw/zinc/82/67/92/835826792.db2.gz MURYJEIHUNJGLR-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@@H]3c3nccn3C)cc2)cc(=O)[n-]1 ZINC000584274490 835831734 /nfs/dbraw/zinc/83/17/34/835831734.db2.gz OXAXMHXZXJZLSR-SFHVURJKSA-N -1 3 392.463 3.506 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000547739533 835897363 /nfs/dbraw/zinc/89/73/63/835897363.db2.gz GWIPWFIHSIRRHT-TZMCWYRMSA-N -1 3 388.777 3.762 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccncc1)C1CC1 ZINC000893733683 844109888 /nfs/dbraw/zinc/10/98/88/844109888.db2.gz BPOPSKCHFGZKQS-MRXNPFEDSA-N -1 3 376.254 3.500 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000172649287 835972085 /nfs/dbraw/zinc/97/20/85/835972085.db2.gz JCKCWALEDRVOJS-KRWDZBQOSA-N -1 3 394.471 3.563 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccncc1)C1CC1 ZINC000893733681 844110213 /nfs/dbraw/zinc/11/02/13/844110213.db2.gz BPOPSKCHFGZKQS-INIZCTEOSA-N -1 3 376.254 3.500 20 0 GHADHM COc1ccc(Br)cc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000426736181 844111890 /nfs/dbraw/zinc/11/18/90/844111890.db2.gz WYNOQHZNSATXSV-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM O=C(NCCc1cccs1)N[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000065898150 836165541 /nfs/dbraw/zinc/16/55/41/836165541.db2.gz BYFHJKJCKNWZGO-UHFFFAOYSA-N -1 3 389.477 3.802 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c1 ZINC000134903742 836235554 /nfs/dbraw/zinc/23/55/54/836235554.db2.gz OYAYXCHFZRKTJS-UHFFFAOYSA-N -1 3 395.410 3.956 20 0 GHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000473491415 844172834 /nfs/dbraw/zinc/17/28/34/844172834.db2.gz QKLFUCVBCZPETE-UHFFFAOYSA-N -1 3 394.468 3.932 20 0 GHADHM CCc1c(=O)n(C2=N[C@@H]3CCCC[C@@H]3N2)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634635729 836628060 /nfs/dbraw/zinc/62/80/60/836628060.db2.gz LTFUEWHGCVYKGX-SOUVJXGZSA-N -1 3 378.398 3.548 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000024437373 836770726 /nfs/dbraw/zinc/77/07/26/836770726.db2.gz XBEXJVZUYLHGJF-CYBMUJFWSA-N -1 3 376.478 3.968 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC2CCCC2)c(C)o1 ZINC000175569603 836885568 /nfs/dbraw/zinc/88/55/68/836885568.db2.gz SUINOVPUAJIJIH-UHFFFAOYSA-N -1 3 394.518 3.783 20 0 GHADHM Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000612991283 837053641 /nfs/dbraw/zinc/05/36/41/837053641.db2.gz DXQSYDDSONUXRW-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC[C@@H](C)C3)c2)c1 ZINC000030017054 844232525 /nfs/dbraw/zinc/23/25/25/844232525.db2.gz RZLYTFZHTLCFJB-CQSZACIVSA-N -1 3 398.459 3.534 20 0 GHADHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000657134221 844243379 /nfs/dbraw/zinc/24/33/79/844243379.db2.gz LUUUARHBJKDYMY-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)[n-]1 ZINC000431736313 837238075 /nfs/dbraw/zinc/23/80/75/837238075.db2.gz BIUFALNQTRQWOR-UHFFFAOYSA-N -1 3 378.388 3.698 20 0 GHADHM CN(C)c1nc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)cc(=O)[n-]1 ZINC000549321129 837863207 /nfs/dbraw/zinc/86/32/07/837863207.db2.gz VFPQDXZVIOLCLO-AWEZNQCLSA-N -1 3 396.516 3.558 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(OC(F)(F)F)c1 ZINC000177310138 837878232 /nfs/dbraw/zinc/87/82/32/837878232.db2.gz LETPWKMGXYOXJQ-LLVKDONJSA-N -1 3 376.334 3.918 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2cccc(F)c2)nc1)c1ccc(F)cc1F ZINC000109844099 837889890 /nfs/dbraw/zinc/88/98/90/837889890.db2.gz HQJAFRDHRUHKHO-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM CSC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000120151292 838034382 /nfs/dbraw/zinc/03/43/82/838034382.db2.gz KWLGMEPEGIHAKU-HNNXBMFYSA-N -1 3 392.546 3.586 20 0 GHADHM O=c1[n-]nc([C@H]2CCCN([C@H]3CCCc4ccc(Br)cc43)C2)o1 ZINC000408457810 844302871 /nfs/dbraw/zinc/30/28/71/844302871.db2.gz QOZAZWJKTUPXGV-WFASDCNBSA-N -1 3 378.270 3.795 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182116269 838340041 /nfs/dbraw/zinc/34/00/41/838340041.db2.gz AMIIHJCJTVHHPX-UHFFFAOYSA-N -1 3 388.503 3.684 20 0 GHADHM CCCCc1cc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000683708085 838371966 /nfs/dbraw/zinc/37/19/66/838371966.db2.gz ONMVDMVUGJMQFQ-UHFFFAOYSA-N -1 3 377.388 3.593 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1cc(F)ccc1Br ZINC000433469942 844337937 /nfs/dbraw/zinc/33/79/37/844337937.db2.gz MSBWPLCXDAXLPV-GXTWGEPZSA-N -1 3 388.233 3.562 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000179435519 838543374 /nfs/dbraw/zinc/54/33/74/838543374.db2.gz JUDLIFPQBHMEPB-LLVKDONJSA-N -1 3 385.445 3.836 20 0 GHADHM Cc1ncn(CCCCc2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)c1C ZINC000656039581 838551067 /nfs/dbraw/zinc/55/10/67/838551067.db2.gz VAVGRVVOVZEDNH-UHFFFAOYSA-N -1 3 390.447 3.527 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000180852849 838573435 /nfs/dbraw/zinc/57/34/35/838573435.db2.gz GNIGUHFCFQERDE-HNNXBMFYSA-N -1 3 386.206 3.757 20 0 GHADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1c([O-])cccc1O ZINC000180856204 838574238 /nfs/dbraw/zinc/57/42/38/838574238.db2.gz OYRBRFALLZNCLJ-UHFFFAOYSA-N -1 3 376.250 3.664 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000584562069 838584965 /nfs/dbraw/zinc/58/49/65/838584965.db2.gz PRPMRMFTEDFUNC-UHFFFAOYSA-N -1 3 390.358 3.912 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000659798602 838680228 /nfs/dbraw/zinc/68/02/28/838680228.db2.gz KBUZXXHVYIGGGD-XHDPSFHLSA-N -1 3 375.494 3.716 20 0 GHADHM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000414637390 838713131 /nfs/dbraw/zinc/71/31/31/838713131.db2.gz MBTDPPRSQJDWEK-JTSKRJEESA-N -1 3 381.520 3.821 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(CC)ncnc3CC)c2)n1 ZINC000549411561 838794357 /nfs/dbraw/zinc/79/43/57/838794357.db2.gz IQKBVVSZFPAPTK-UHFFFAOYSA-N -1 3 377.448 3.579 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182790337 838824766 /nfs/dbraw/zinc/82/47/66/838824766.db2.gz QYNUHIBEIQFZIH-GOSISDBHSA-N -1 3 394.431 3.559 20 0 GHADHM COc1cc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc(OC)c1[O-] ZINC000378315842 838851950 /nfs/dbraw/zinc/85/19/50/838851950.db2.gz JMODTFNFVISZBN-UHFFFAOYSA-N -1 3 395.377 3.743 20 0 GHADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccn1 ZINC000182946361 838868422 /nfs/dbraw/zinc/86/84/22/838868422.db2.gz WYGDQLWVEKQSGW-IERDGZPVSA-N -1 3 389.455 3.526 20 0 GHADHM O=C(c1cnc(OC2CCCCC2)c(Cl)c1)N1CCCc2c(=O)[n-]cnc21 ZINC000893205184 838872574 /nfs/dbraw/zinc/87/25/74/838872574.db2.gz QDEVSZVZYASXBS-UHFFFAOYSA-N -1 3 388.855 3.535 20 0 GHADHM Cc1csc(N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000183814854 839085297 /nfs/dbraw/zinc/08/52/97/839085297.db2.gz QTZYMQHFLHZZGW-SFHVURJKSA-N -1 3 395.484 3.681 20 0 GHADHM Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(Cl)c1 ZINC000048244440 844404790 /nfs/dbraw/zinc/40/47/90/844404790.db2.gz JBQNPVCXZIXXBF-UHFFFAOYSA-N -1 3 396.896 3.816 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000580261339 839152113 /nfs/dbraw/zinc/15/21/13/839152113.db2.gz AMZUHWQIUGDGOG-INIZCTEOSA-N -1 3 376.243 3.952 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cccc21 ZINC000683925981 839487763 /nfs/dbraw/zinc/48/77/63/839487763.db2.gz BYOSNFSRUBLTSR-MRXNPFEDSA-N -1 3 384.860 3.665 20 0 GHADHM CCOC(=O)c1nc([N-]C(=O)c2nc(Cl)cs2)sc1C(F)(F)F ZINC000891284240 839588149 /nfs/dbraw/zinc/58/81/49/839588149.db2.gz QDAHXYLHICQUJM-UHFFFAOYSA-N -1 3 385.776 3.701 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1OC ZINC000255623045 839864726 /nfs/dbraw/zinc/86/47/26/839864726.db2.gz XHQICFLEKDKGOE-ALCCZGGFSA-N -1 3 392.452 3.638 20 0 GHADHM CCOc1ccc2c(c1)CCN(c1ccc(-c3nc(CC)cc(=O)[n-]3)cn1)C2 ZINC000433514293 844519037 /nfs/dbraw/zinc/51/90/37/844519037.db2.gz ARRGYMVFPZVBSA-UHFFFAOYSA-N -1 3 376.460 3.768 20 0 GHADHM O=S(=O)([N-]c1cccc2n[nH]cc21)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000050532475 840306932 /nfs/dbraw/zinc/30/69/32/840306932.db2.gz TUBINWXOTDJRKK-UHFFFAOYSA-N -1 3 391.399 3.893 20 0 GHADHM O=C(c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1)N1CCc2ccccc21 ZINC000417017023 840370882 /nfs/dbraw/zinc/37/08/82/840370882.db2.gz GPQZNJYBWBFJQR-UHFFFAOYSA-N -1 3 386.455 3.875 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)c(C)c1 ZINC000055674132 840400117 /nfs/dbraw/zinc/40/01/17/840400117.db2.gz AEVYQXJEVPAJTC-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473063030 840415650 /nfs/dbraw/zinc/41/56/50/840415650.db2.gz LXYVRSWYCIREFS-UHFFFAOYSA-N -1 3 393.468 3.502 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1ccc(Cl)nc1 ZINC000061692317 840434098 /nfs/dbraw/zinc/43/40/98/840434098.db2.gz FMHYNAKQXRXZMZ-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500425797 840476152 /nfs/dbraw/zinc/47/61/52/840476152.db2.gz FIRGMTWQTXDLCF-UHFFFAOYSA-N -1 3 383.882 3.547 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)cc1 ZINC000487341837 840558941 /nfs/dbraw/zinc/55/89/41/840558941.db2.gz QYOTWATWTREMFH-GFCCVEGCSA-N -1 3 377.466 3.500 20 0 GHADHM CC(C)(C)Oc1cccc(C[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417188423 840565910 /nfs/dbraw/zinc/56/59/10/840565910.db2.gz YPZYWJMEXVNZQG-NDEPHWFRSA-N -1 3 397.500 3.870 20 0 GHADHM O=c1[n-]c(NC[C@@H]2CN(Cc3ccc(F)cc3)CCO2)c(Cl)cc1Cl ZINC001167441793 840580540 /nfs/dbraw/zinc/58/05/40/840580540.db2.gz VGNQZSQLCOJIQJ-CYBMUJFWSA-N -1 3 386.254 3.546 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1c(C)cccc1[O-] ZINC000626393935 844557716 /nfs/dbraw/zinc/55/77/16/844557716.db2.gz MIEJVLYWIYVODD-LJQANCHMSA-N -1 3 391.471 3.717 20 0 GHADHM COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CC1=O ZINC000096590613 840803688 /nfs/dbraw/zinc/80/36/88/840803688.db2.gz QQYKZJRFNSJTDV-JTQLQIEISA-N -1 3 395.242 3.699 20 0 GHADHM Cn1c2ccc([N-]S(=O)(=O)Cc3c(F)cccc3F)cc2nc1C1CC1 ZINC000194633616 840821186 /nfs/dbraw/zinc/82/11/86/840821186.db2.gz SLIFTUSMSGWXJT-UHFFFAOYSA-N -1 3 377.416 3.671 20 0 GHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432176409 840925782 /nfs/dbraw/zinc/92/57/82/840925782.db2.gz IXCMDJMGOITARU-UHFFFAOYSA-N -1 3 386.473 3.754 20 0 GHADHM C[C@H](C(=O)Nc1cc(I)ccc1[O-])c1cccc(F)c1 ZINC000610490846 840971665 /nfs/dbraw/zinc/97/16/65/840971665.db2.gz JTEAVNRKSNPLJW-VIFPVBQESA-N -1 3 385.176 3.878 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188196641 840987845 /nfs/dbraw/zinc/98/78/45/840987845.db2.gz SCOSNLSUDDSFPL-YYTPVVGHSA-N -1 3 385.261 3.809 20 0 GHADHM COc1cc2nc(-c3ccc(Br)c(C)c3)[n-]c(=O)c2cc1OC ZINC000614110234 844603598 /nfs/dbraw/zinc/60/35/98/844603598.db2.gz DJAAIXJADOOOPH-UHFFFAOYSA-N -1 3 375.222 3.678 20 0 GHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417609586 841053328 /nfs/dbraw/zinc/05/33/28/841053328.db2.gz LMERDMRTLJMUOY-QGZVFWFLSA-N -1 3 380.851 3.573 20 0 GHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000417610513 841054418 /nfs/dbraw/zinc/05/44/18/841054418.db2.gz NKEKCVZEUTYBSN-MRXNPFEDSA-N -1 3 380.851 3.573 20 0 GHADHM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)cc1 ZINC000581331898 841097587 /nfs/dbraw/zinc/09/75/87/841097587.db2.gz NNPUICYIHJISCZ-XQRVVYSFSA-N -1 3 388.489 3.555 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000651618496 841148480 /nfs/dbraw/zinc/14/84/80/841148480.db2.gz LZWQKBYQGKEQJE-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM CCOc1ccc(-c2nc(CC)c(C(=O)[N-]c3nnc(OC)s3)s2)cc1 ZINC000684224462 841269125 /nfs/dbraw/zinc/26/91/25/841269125.db2.gz OSGCWYDBIYNDRC-UHFFFAOYSA-N -1 3 390.490 3.884 20 0 GHADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000684235813 841307295 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20 0 GHADHM O=C(NCc1cc(Br)cc2c1OCC2)c1cc([O-])ccc1Cl ZINC000319917129 842873647 /nfs/dbraw/zinc/87/36/47/842873647.db2.gz UGDICROXJKUBIR-UHFFFAOYSA-N -1 3 382.641 3.673 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)ccc1C ZINC000663261461 842939530 /nfs/dbraw/zinc/93/95/30/842939530.db2.gz KTFWAWBMUZQHIY-QGZVFWFLSA-N -1 3 396.415 3.541 20 0 GHADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000185453101 843015116 /nfs/dbraw/zinc/01/51/16/843015116.db2.gz WCIJHFIGVFQCNR-CYBMUJFWSA-N -1 3 378.266 3.954 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000667884755 861374180 /nfs/dbraw/zinc/37/41/80/861374180.db2.gz BXNKMDIOVQFTNH-INIZCTEOSA-N -1 3 384.461 3.686 20 0 GHADHM COc1cc(C(=O)NCCCc2cccc(Br)c2)cc(OC)c1[O-] ZINC000154242400 843193587 /nfs/dbraw/zinc/19/35/87/843193587.db2.gz KISZUDLZUHAMTA-UHFFFAOYSA-N -1 3 394.265 3.535 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCSC2(CCOCC2)C1 ZINC000186849902 843217577 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C[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccn1 ZINC000500655954 843787289 /nfs/dbraw/zinc/78/72/89/843787289.db2.gz XATRZLNFKXLVMS-HNNXBMFYSA-N -1 3 385.464 3.872 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1 ZINC000432779746 843806707 /nfs/dbraw/zinc/80/67/07/843806707.db2.gz LHUXVAJJQATAPW-UHFFFAOYSA-N -1 3 389.502 3.589 20 0 GHADHM CC(C)SCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000512446831 843837062 /nfs/dbraw/zinc/83/70/62/843837062.db2.gz HTDZEIBOPANYGX-UHFFFAOYSA-N -1 3 399.944 3.547 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)cc1F ZINC000512459803 843865557 /nfs/dbraw/zinc/86/55/57/843865557.db2.gz KYANZVQGHFHRHF-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCC(=O)c2ccccc2)[nH][n-]1 ZINC000512854274 843891644 /nfs/dbraw/zinc/89/16/44/843891644.db2.gz IZRQGNYEASYCMF-UHFFFAOYSA-N -1 3 383.835 3.762 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2nc3ccccc3o2)[nH][n-]1 ZINC000512856479 843894061 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Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCC3=CCCCC3)cs2)c1 ZINC000509792693 845414681 /nfs/dbraw/zinc/41/46/81/845414681.db2.gz QMBGLWLVSVMQOK-UHFFFAOYSA-N -1 3 399.516 3.959 20 0 GHADHM Cc1nc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(C)o1 ZINC000431270890 845423332 /nfs/dbraw/zinc/42/33/32/845423332.db2.gz TWGTXZAYKNKLIF-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM COc1cccc(C2(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CC2)c1 ZINC000513503828 845562441 /nfs/dbraw/zinc/56/24/41/845562441.db2.gz ZBDXQOGCVADREW-UHFFFAOYSA-N -1 3 390.443 3.977 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1Br ZINC000430018892 845595059 /nfs/dbraw/zinc/59/50/59/845595059.db2.gz WEKNCLHOQQJKFL-WCQYABFASA-N -1 3 386.698 3.937 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)cc1F ZINC000329525013 861589435 /nfs/dbraw/zinc/58/94/35/861589435.db2.gz SKRKMASNTWXCJF-INIZCTEOSA-N -1 3 381.448 3.632 20 0 GHADHM O=C(CCCn1cnc2ccccc21)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891050 845795181 /nfs/dbraw/zinc/79/51/81/845795181.db2.gz CILHEYJYZVIDOT-UHFFFAOYSA-N -1 3 379.851 3.921 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)OC2CCCCCC2)c(C(=O)OCC)[n-]1 ZINC001269123964 846184383 /nfs/dbraw/zinc/18/43/83/846184383.db2.gz OTTHHDCDZIBIFL-AWEZNQCLSA-N -1 3 379.501 3.995 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c3ccco3)n1)O[C@H](C)C2 ZINC000502649398 846314997 /nfs/dbraw/zinc/31/49/97/846314997.db2.gz PJIOMISMYDXUTA-ZLDLUXBVSA-N -1 3 394.431 3.529 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2C)cc1 ZINC000280601346 846458288 /nfs/dbraw/zinc/45/82/88/846458288.db2.gz PGZANVWNEVBOOG-UHFFFAOYSA-N -1 3 378.450 3.763 20 0 GHADHM CCC[C@H]1CCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678859 846480786 /nfs/dbraw/zinc/48/07/86/846480786.db2.gz FAGCPIFSSRTAPA-UWVGGRQHSA-N -1 3 382.224 3.785 20 0 GHADHM CC(C)N(CC(F)(F)F)C(=O)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419605898 846671839 /nfs/dbraw/zinc/67/18/39/846671839.db2.gz QQGJQTGGLUCNPE-UHFFFAOYSA-N -1 3 399.438 3.882 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccc(OC(F)F)cc1 ZINC000419607330 846673467 /nfs/dbraw/zinc/67/34/67/846673467.db2.gz UKEANAKVQUITHA-UHFFFAOYSA-N -1 3 381.404 3.533 20 0 GHADHM Cc1nc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)oc1-c1ccc(Cl)cc1 ZINC000582310522 846834221 /nfs/dbraw/zinc/83/42/21/846834221.db2.gz LCXMCKDFIKLWJE-UHFFFAOYSA-N -1 3 384.823 3.606 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cccc(OC(F)F)c1 ZINC000731609507 861740767 /nfs/dbraw/zinc/74/07/67/861740767.db2.gz SUOZBXRKPHQGPX-NSHDSACASA-N -1 3 385.313 3.950 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000158148597 847014411 /nfs/dbraw/zinc/01/44/11/847014411.db2.gz RGMNRFDZODPZED-JOYOIKCWSA-N -1 3 380.318 3.845 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCC(F)(F)F ZINC000272672514 847140781 /nfs/dbraw/zinc/14/07/81/847140781.db2.gz LDMSTMRUSXVLIY-QGZVFWFLSA-N -1 3 394.393 3.712 20 0 GHADHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000048798295 847247817 /nfs/dbraw/zinc/24/78/17/847247817.db2.gz GNUFVKHJXVIMEO-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1nc(C)cs1 ZINC000420682189 847369848 /nfs/dbraw/zinc/36/98/48/847369848.db2.gz UMIONRGWBOOCQQ-JTQLQIEISA-N -1 3 380.413 3.622 20 0 GHADHM COc1cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273576201 847375677 /nfs/dbraw/zinc/37/56/77/847375677.db2.gz MNQHBOJWJXSLOI-DLBZAZTESA-N -1 3 389.423 3.541 20 0 GHADHM [O-]c1ccc(F)c(CN[C@H]2CCN(c3ccccc3Br)C2)c1F ZINC000511143140 847456406 /nfs/dbraw/zinc/45/64/06/847456406.db2.gz GMWWYPQARWKXGF-NSHDSACASA-N -1 3 383.236 3.801 20 0 GHADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502136537 847507511 /nfs/dbraw/zinc/50/75/11/847507511.db2.gz DMQMCILPVPERKN-DGCLKSJQSA-N -1 3 397.401 3.515 20 0 GHADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(SC)ccc1[O-] ZINC000611642565 847740219 /nfs/dbraw/zinc/74/02/19/847740219.db2.gz GFJHRNFUSAYXDL-UHFFFAOYSA-N -1 3 385.533 3.888 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000421160557 847794379 /nfs/dbraw/zinc/79/43/79/847794379.db2.gz YQJWKXQKKSZZKX-QGZVFWFLSA-N -1 3 384.523 3.525 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)c(C)c1 ZINC000728508502 848134287 /nfs/dbraw/zinc/13/42/87/848134287.db2.gz UJJHSSCWUTYUCJ-UHFFFAOYSA-N -1 3 394.518 3.887 20 0 GHADHM CCC(=O)Nc1cccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000051873317 848231481 /nfs/dbraw/zinc/23/14/81/848231481.db2.gz LTTTUYWUIOMGBH-LLVKDONJSA-N -1 3 399.472 3.868 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000582811665 848442800 /nfs/dbraw/zinc/44/28/00/848442800.db2.gz TXCIQBKGJHESIF-PMACEKPBSA-N -1 3 391.489 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(Cl)cc3C(=O)[O-])CC[C@@H]21 ZINC001142647539 861943866 /nfs/dbraw/zinc/94/38/66/861943866.db2.gz ZXVAMVKUGAPXCG-YOEHRIQHSA-N -1 3 394.899 3.870 20 0 GHADHM CCCCc1ccc(-n2nnnc2Sc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000731905561 861951558 /nfs/dbraw/zinc/95/15/58/861951558.db2.gz PYAYFNRVNKCEMO-UHFFFAOYSA-N -1 3 378.461 3.805 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000180132393 861970033 /nfs/dbraw/zinc/97/00/33/861970033.db2.gz VVFPZFUFIOWUFL-UHFFFAOYSA-N -1 3 375.425 3.599 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCc3sccc3C2)cc1 ZINC000278074302 849041961 /nfs/dbraw/zinc/04/19/61/849041961.db2.gz JQIZVTRIZNBZPR-CQSZACIVSA-N -1 3 395.406 3.688 20 0 GHADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583090097 849046168 /nfs/dbraw/zinc/04/61/68/849046168.db2.gz YXVMHJHAQZRWBX-LXQQGXESSA-N -1 3 377.847 3.749 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000278130946 849316435 /nfs/dbraw/zinc/31/64/35/849316435.db2.gz MMXXPQWWTWIWSY-BZNIZROVSA-N -1 3 396.413 3.578 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccccc1CCC(F)(F)F ZINC000150836063 849379064 /nfs/dbraw/zinc/37/90/64/849379064.db2.gz YCCUMEHZFFPPGT-UHFFFAOYSA-N -1 3 377.322 3.709 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000448768627 849665287 /nfs/dbraw/zinc/66/52/87/849665287.db2.gz QWMHVWNIFFIWPG-UHFFFAOYSA-N -1 3 375.827 3.849 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000503969102 849794039 /nfs/dbraw/zinc/79/40/39/849794039.db2.gz NNWZLZXQJIBBMQ-HNNXBMFYSA-N -1 3 395.349 3.693 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCCC1)c1cc(F)ccc1Br ZINC000434960273 849947766 /nfs/dbraw/zinc/94/77/66/849947766.db2.gz QTWREESQEPSGSL-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CSC3CC3)cc2)cc1 ZINC000514652444 850106397 /nfs/dbraw/zinc/10/63/97/850106397.db2.gz SYUCWEGZZPYEKO-UHFFFAOYSA-N -1 3 376.503 3.630 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cnc2ccsc2c1 ZINC000439563185 850123502 /nfs/dbraw/zinc/12/35/02/850123502.db2.gz OHRQWPPOTBLDQO-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM O=C([O-])C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccc(F)cc1 ZINC000908610254 850216231 /nfs/dbraw/zinc/21/62/31/850216231.db2.gz XMTBHSFUZILXJY-HXUWFJFHSA-N -1 3 384.451 3.757 20 0 GHADHM CCc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000908624008 850223868 /nfs/dbraw/zinc/22/38/68/850223868.db2.gz LITWIESQFCVLFU-JOCHJYFZSA-N -1 3 399.466 3.629 20 0 GHADHM CSc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908617206 850238647 /nfs/dbraw/zinc/23/86/47/850238647.db2.gz HJAUJHYAMUCZJN-NRFANRHFSA-N -1 3 399.516 3.649 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1c(F)cccc1F ZINC000435228771 850248280 /nfs/dbraw/zinc/24/82/80/850248280.db2.gz YBYQMDPNZTVITP-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM Cc1ncc(CO)c(/C=N/Cc2cccc(COCc3ccccc3)c2)c1[O-] ZINC000031643506 850282662 /nfs/dbraw/zinc/28/26/62/850282662.db2.gz YRUBBCIHVHBZMI-ZMOGYAJESA-N -1 3 376.456 3.924 20 0 GHADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000908750393 850323344 /nfs/dbraw/zinc/32/33/44/850323344.db2.gz FYURHWOUNQLZRM-PMACEKPBSA-N -1 3 387.524 3.546 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1F ZINC000504800436 850328581 /nfs/dbraw/zinc/32/85/81/850328581.db2.gz HOSBTLCWPPGKEJ-UHFFFAOYSA-N -1 3 382.395 3.627 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C(=O)[O-])c1 ZINC000908751387 850328873 /nfs/dbraw/zinc/32/88/73/850328873.db2.gz LGYZGAAVJGSVEZ-RTWAWAEBSA-N -1 3 395.503 3.565 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000514819211 850346775 /nfs/dbraw/zinc/34/67/75/850346775.db2.gz BDJGARJCVPSTEP-CQSZACIVSA-N -1 3 375.387 3.834 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c(=O)[n-]1 ZINC000514858511 850394328 /nfs/dbraw/zinc/39/43/28/850394328.db2.gz GYIGMJCSFYJBQY-OAHLLOKOSA-N -1 3 396.516 3.748 20 0 GHADHM CC(C)C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000424389802 850427228 /nfs/dbraw/zinc/42/72/28/850427228.db2.gz LTMPXEHWCYUYSV-IRXDYDNUSA-N -1 3 395.569 3.567 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)C2)o1 ZINC000171346015 862128199 /nfs/dbraw/zinc/12/81/99/862128199.db2.gz NOHTXPSLCAKIBN-HNNXBMFYSA-N -1 3 397.431 3.589 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)C2)o1 ZINC000171346015 862128202 /nfs/dbraw/zinc/12/82/02/862128202.db2.gz NOHTXPSLCAKIBN-HNNXBMFYSA-N -1 3 397.431 3.589 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2n(C)c1=O ZINC000514904907 850455296 /nfs/dbraw/zinc/45/52/96/850455296.db2.gz NJVLXRCZCREJGT-UHFFFAOYSA-N -1 3 399.878 3.687 20 0 GHADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1Cl ZINC000514931360 850499866 /nfs/dbraw/zinc/49/98/66/850499866.db2.gz LHSSDJGFFKYBGZ-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000909002826 850526583 /nfs/dbraw/zinc/52/65/83/850526583.db2.gz VGKDUYLIMACSMG-WAOWUJCRSA-N -1 3 395.503 3.507 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000909002824 850526994 /nfs/dbraw/zinc/52/69/94/850526994.db2.gz VGKDUYLIMACSMG-OPYAIIAOSA-N -1 3 395.503 3.507 20 0 GHADHM O=C([O-])[C@@H]1CC[C@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000424624188 850579139 /nfs/dbraw/zinc/57/91/39/850579139.db2.gz RHSWJCMNMLYJGR-YPMHNXCESA-N -1 3 381.295 3.916 20 0 GHADHM CC(C)CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000435633174 850711319 /nfs/dbraw/zinc/71/13/19/850711319.db2.gz WNRUTGMMNIYLOT-HUUCEWRRSA-N -1 3 394.459 3.753 20 0 GHADHM O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000519224780 850779105 /nfs/dbraw/zinc/77/91/05/850779105.db2.gz XDNSDPIENYWDBA-UHFFFAOYSA-N -1 3 395.846 3.613 20 0 GHADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000440095994 850787300 /nfs/dbraw/zinc/78/73/00/850787300.db2.gz YBFVTUFOBKQLLL-INIZCTEOSA-N -1 3 391.515 3.889 20 0 GHADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909819321 850803672 /nfs/dbraw/zinc/80/36/72/850803672.db2.gz JCWXDCWTBXRXRA-CRAIPNDOSA-N -1 3 394.471 3.556 20 0 GHADHM O=C(NCc1ccc(OC2CCCCC2)cc1)c1nnc2ccccc2c1[O-] ZINC000732280404 862170831 /nfs/dbraw/zinc/17/08/31/862170831.db2.gz AXTUZAUTXPPTRA-UHFFFAOYSA-N -1 3 377.444 3.977 20 0 GHADHM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1nnc2ccccc2c1[O-] ZINC000732278977 862172630 /nfs/dbraw/zinc/17/26/30/862172630.db2.gz HPNZJSMCZGSEML-UHFFFAOYSA-N -1 3 395.422 3.986 20 0 GHADHM O=C(CO[C@H]1CCCc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000435759965 850854851 /nfs/dbraw/zinc/85/48/51/850854851.db2.gz AAVJTPVJZIMPRV-SFHVURJKSA-N -1 3 390.277 3.865 20 0 GHADHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000519307369 850893376 /nfs/dbraw/zinc/89/33/76/850893376.db2.gz IBMYXLFZVWCACB-GFCCVEGCSA-N -1 3 398.868 3.556 20 0 GHADHM Cc1nc(C)c(Cc2nc(COc3cccc(Cl)c3Cl)no2)c(=O)[n-]1 ZINC000351272962 862192608 /nfs/dbraw/zinc/19/26/08/862192608.db2.gz JHWKJXPSQHHJLF-UHFFFAOYSA-N -1 3 381.219 3.659 20 0 GHADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000522619013 862193137 /nfs/dbraw/zinc/19/31/37/862193137.db2.gz WUSJGOMYWKGWHK-UHFFFAOYSA-N -1 3 398.859 3.899 20 0 GHADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)c(F)c3)ccc2O1 ZINC000440295630 851013950 /nfs/dbraw/zinc/01/39/50/851013950.db2.gz NJAXWMCUAMRACT-UHFFFAOYSA-N -1 3 387.436 3.526 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccccc2C(F)F)cc1 ZINC000425071342 851036750 /nfs/dbraw/zinc/03/67/50/851036750.db2.gz JZLOWTHXALLGPO-UHFFFAOYSA-N -1 3 398.431 3.792 20 0 GHADHM O=C([O-])c1cc(NC(=O)CC2(N3CCOCC3)CCCC2)cc2ccccc21 ZINC000910359780 851151085 /nfs/dbraw/zinc/15/10/85/851151085.db2.gz JWETUMXZMQWKPA-UHFFFAOYSA-N -1 3 382.460 3.512 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN([C@@H](C)c4ccccc4)CC3)c12 ZINC000910371613 851162183 /nfs/dbraw/zinc/16/21/83/851162183.db2.gz AQZPJFZROHFLTM-AWEZNQCLSA-N -1 3 396.516 3.890 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C=C1CCCCC1 ZINC000729451640 851232605 /nfs/dbraw/zinc/23/26/05/851232605.db2.gz ULPMBUPUNMBLOW-UHFFFAOYSA-N -1 3 376.400 3.906 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@@H]1OCCc2ccccc21 ZINC000515674369 851319396 /nfs/dbraw/zinc/31/93/96/851319396.db2.gz IHOFFMOFLXRJGC-SFHVURJKSA-N -1 3 375.428 3.827 20 0 GHADHM O=C([O-])c1nc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)sc1C1CC1 ZINC000910733140 851350049 /nfs/dbraw/zinc/35/00/49/851350049.db2.gz IHUIFXLSIARCAA-HNNXBMFYSA-N -1 3 385.489 3.569 20 0 GHADHM O=C(OCc1csc(COc2ccc(Cl)cc2)n1)c1cncc([O-])c1 ZINC000732390946 862253803 /nfs/dbraw/zinc/25/38/03/862253803.db2.gz BKEBQCRQVMPHLV-UHFFFAOYSA-N -1 3 376.821 3.833 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434754361 851625669 /nfs/dbraw/zinc/62/56/69/851625669.db2.gz HYITVZLYPMPVSU-CQSZACIVSA-N -1 3 386.473 3.910 20 0 GHADHM CC(C)c1ccc(C2(C(=O)N3CCCN(CC(=O)[O-])CC3)CCCCC2)cc1 ZINC000911215551 851633356 /nfs/dbraw/zinc/63/33/56/851633356.db2.gz MOMZVYNVIULAAV-UHFFFAOYSA-N -1 3 386.536 3.631 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc2)CC1 ZINC000911245867 851641280 /nfs/dbraw/zinc/64/12/80/851641280.db2.gz CXSYBGMFFDNYIB-IBHIWXBSSA-N -1 3 382.460 3.580 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc2)CC1 ZINC000911245869 851641495 /nfs/dbraw/zinc/64/14/95/851641495.db2.gz CXSYBGMFFDNYIB-QIBOZCLASA-N -1 3 382.460 3.580 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OCC2CC2)cc1 ZINC000488681996 851691811 /nfs/dbraw/zinc/69/18/11/851691811.db2.gz WMBPXPIKHYSDSX-UHFFFAOYSA-N -1 3 376.250 3.874 20 0 GHADHM O=C(COC/C=C\c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000488677018 851701121 /nfs/dbraw/zinc/70/11/21/851701121.db2.gz ODPNSPHTADUYAE-DAXSKMNVSA-N -1 3 376.250 3.501 20 0 GHADHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488721772 851723945 /nfs/dbraw/zinc/72/39/45/851723945.db2.gz DGCNZFUQXABWJF-UHFFFAOYSA-N -1 3 377.359 3.510 20 0 GHADHM CCCN(CCN(C)C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000911426374 851725983 /nfs/dbraw/zinc/72/59/83/851725983.db2.gz DZNGCLXGUODMLY-UHFFFAOYSA-N -1 3 390.505 3.684 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@@H](c4cccnc4)C3)nc2)n1 ZINC000645357978 851776391 /nfs/dbraw/zinc/77/63/91/851776391.db2.gz DYNNSFKVVLGYQB-QZTJIDSGSA-N -1 3 377.448 3.534 20 0 GHADHM Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000044138079 851827144 /nfs/dbraw/zinc/82/71/44/851827144.db2.gz HGHCYUIHRLXPML-UHFFFAOYSA-N -1 3 389.908 3.509 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000488858636 851831727 /nfs/dbraw/zinc/83/17/27/851831727.db2.gz VBAJQBKLCAJYOG-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM CCOc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000488901964 851854924 /nfs/dbraw/zinc/85/49/24/851854924.db2.gz PSNGMUAWWNEPHW-INIZCTEOSA-N -1 3 380.847 3.616 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853677 851934899 /nfs/dbraw/zinc/93/48/99/851934899.db2.gz WJAXAQHXDPECGV-QGZVFWFLSA-N -1 3 377.444 3.567 20 0 GHADHM CC(C)(C)n1ncc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1-c1ccccc1 ZINC000489021701 851940184 /nfs/dbraw/zinc/94/01/84/851940184.db2.gz YQLOPNHZVBJOMJ-UHFFFAOYSA-N -1 3 386.459 3.764 20 0 GHADHM NC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccc1Cl ZINC001127048140 851964145 /nfs/dbraw/zinc/96/41/45/851964145.db2.gz PSNNREUBRTXGKX-CQSZACIVSA-N -1 3 387.213 3.818 20 0 GHADHM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436488620 851982573 /nfs/dbraw/zinc/98/25/73/851982573.db2.gz SJMQJYPUHMPMRG-UHFFFAOYSA-N -1 3 392.421 3.740 20 0 GHADHM O=C(NC1CCN(c2nccs2)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436519796 852007997 /nfs/dbraw/zinc/00/79/97/852007997.db2.gz YPUVBOAWHAHKJN-UHFFFAOYSA-N -1 3 393.512 3.838 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436519772 852008021 /nfs/dbraw/zinc/00/80/21/852008021.db2.gz BEJUMXURQRSMSQ-OAHLLOKOSA-N -1 3 397.475 3.526 20 0 GHADHM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436524930 852014455 /nfs/dbraw/zinc/01/44/55/852014455.db2.gz LNKPRSIDZZMNAL-OAHLLOKOSA-N -1 3 390.505 3.561 20 0 GHADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436547210 852034603 /nfs/dbraw/zinc/03/46/03/852034603.db2.gz IXOHYBNQRRYFHC-OAQYLSRUSA-N -1 3 394.515 3.650 20 0 GHADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436551210 852040128 /nfs/dbraw/zinc/04/01/28/852040128.db2.gz XGOJGWGHEODEKU-LJQANCHMSA-N -1 3 382.460 3.658 20 0 GHADHM NC(=O)Nc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436575789 852059672 /nfs/dbraw/zinc/05/96/72/852059672.db2.gz NONBFTCGTZSIKP-UHFFFAOYSA-N -1 3 375.428 3.920 20 0 GHADHM CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(C)ccc2[O-])ccn1 ZINC000436575201 852060510 /nfs/dbraw/zinc/06/05/10/852060510.db2.gz IAMVCDJNBDKAFR-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM CC1=C(C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436594312 852081461 /nfs/dbraw/zinc/08/14/61/852081461.db2.gz GMQOTQOLZKLMOS-OAQYLSRUSA-N -1 3 378.472 3.822 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccccc3I)no2)c1 ZINC000436580085 852090116 /nfs/dbraw/zinc/09/01/16/852090116.db2.gz ZSPSMLARQCYSKP-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436582965 852090978 /nfs/dbraw/zinc/09/09/78/852090978.db2.gz MSVGBYQJQKIMSH-FQEVSTJZSA-N -1 3 375.472 3.718 20 0 GHADHM O=C(Nc1ccccc1N1CCC(CO)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436585339 852093890 /nfs/dbraw/zinc/09/38/90/852093890.db2.gz POWDEIKHCWSPQS-UHFFFAOYSA-N -1 3 380.488 3.732 20 0 GHADHM C[C@H](c1ccccc1Br)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436605741 852105478 /nfs/dbraw/zinc/10/54/78/852105478.db2.gz LLCIAFGCYMCNHC-CQSZACIVSA-N -1 3 389.293 3.674 20 0 GHADHM CCOCc1nc([C@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436606291 852106103 /nfs/dbraw/zinc/10/61/03/852106103.db2.gz QJTYILNPIFSNQZ-HNNXBMFYSA-N -1 3 395.459 3.588 20 0 GHADHM COc1ccc(C(=O)N2CCc3cc(Br)cc(C)c3C2)c([O-])c1 ZINC000436606924 852106112 /nfs/dbraw/zinc/10/61/12/852106112.db2.gz REZGRUFTDZXHHE-UHFFFAOYSA-N -1 3 376.250 3.670 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC000517586642 852137852 /nfs/dbraw/zinc/13/78/52/852137852.db2.gz VMVPNJNSYLAXMT-UHFFFAOYSA-N -1 3 391.475 3.962 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC000517586642 852137857 /nfs/dbraw/zinc/13/78/57/852137857.db2.gz VMVPNJNSYLAXMT-UHFFFAOYSA-N -1 3 391.475 3.962 20 0 GHADHM CC(=O)c1ccc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1[O-] ZINC000436646970 852155565 /nfs/dbraw/zinc/15/55/65/852155565.db2.gz IHCCHLBPPIKSKN-UHFFFAOYSA-N -1 3 380.469 3.999 20 0 GHADHM CC(C)(C)c1ccc(C(C)(C)C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436682596 852192075 /nfs/dbraw/zinc/19/20/75/852192075.db2.gz QXKIJPZVJAONBE-UHFFFAOYSA-N -1 3 382.504 3.514 20 0 GHADHM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436697385 852212428 /nfs/dbraw/zinc/21/24/28/852212428.db2.gz MLJHDFUAKLYTGL-IBGZPJMESA-N -1 3 380.488 3.504 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000007055654 852227003 /nfs/dbraw/zinc/22/70/03/852227003.db2.gz FCTUXSLNWACHQF-UHFFFAOYSA-N -1 3 375.446 3.928 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710446 852231102 /nfs/dbraw/zinc/23/11/02/852231102.db2.gz UJVFULBMAMFLSL-PIGZYNQJSA-N -1 3 381.350 3.719 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1[O-] ZINC000436711963 852232838 /nfs/dbraw/zinc/23/28/38/852232838.db2.gz CWUKZKRCPDHAFC-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM COc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)c([O-])c1 ZINC000436711286 852233658 /nfs/dbraw/zinc/23/36/58/852233658.db2.gz GHYXPDYDZRKNMJ-UHFFFAOYSA-N -1 3 376.250 3.625 20 0 GHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436734437 852252012 /nfs/dbraw/zinc/25/20/12/852252012.db2.gz ANMBQOQVFPXAAE-UHFFFAOYSA-N -1 3 375.856 3.578 20 0 GHADHM O=C([O-])[C@@H](CNCc1csc(-c2ccccn2)n1)Cc1ccccc1Cl ZINC000426703311 852289644 /nfs/dbraw/zinc/28/96/44/852289644.db2.gz GCGWZZFNCJUAHP-CQSZACIVSA-N -1 3 387.892 3.892 20 0 GHADHM CC(C)c1cccc(O[C@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c1 ZINC000912469523 852292506 /nfs/dbraw/zinc/29/25/06/852292506.db2.gz MTIVZRLVWPBXMU-FPOVZHCZSA-N -1 3 393.487 3.558 20 0 GHADHM Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436774893 852307022 /nfs/dbraw/zinc/30/70/22/852307022.db2.gz OFMQVBVYKSUMFN-UHFFFAOYSA-N -1 3 398.846 3.698 20 0 GHADHM Cc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1OCC1CCCCC1 ZINC000151723924 862344765 /nfs/dbraw/zinc/34/47/65/862344765.db2.gz YTSCZGTVSMJKBH-UHFFFAOYSA-N -1 3 383.492 3.835 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000426731367 852326981 /nfs/dbraw/zinc/32/69/81/852326981.db2.gz DWTVAUKEVSLGFR-HXUWFJFHSA-N -1 3 383.423 3.716 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436798735 852331109 /nfs/dbraw/zinc/33/11/09/852331109.db2.gz VLOIQGZFTUXUTJ-QGZVFWFLSA-N -1 3 380.488 3.615 20 0 GHADHM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(OC)cc1[O-] ZINC000436798298 852331257 /nfs/dbraw/zinc/33/12/57/852331257.db2.gz SGTJWICCKHLEIT-OAHLLOKOSA-N -1 3 384.476 3.897 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1F ZINC000329822055 862347374 /nfs/dbraw/zinc/34/73/74/862347374.db2.gz HFZDXEFECAVHPX-SFHVURJKSA-N -1 3 395.883 3.852 20 0 GHADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1ccccc1Br ZINC000426764823 852350246 /nfs/dbraw/zinc/35/02/46/852350246.db2.gz YKOSDJVSMXADAV-QGZVFWFLSA-N -1 3 394.334 3.968 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OCc3ccncc3)cc2)c1 ZINC000426764803 852350487 /nfs/dbraw/zinc/35/04/87/852350487.db2.gz YFTPQQNXMRNZPY-QFIPXVFZSA-N -1 3 392.455 3.975 20 0 GHADHM CC(C)[C@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436794176 852350530 /nfs/dbraw/zinc/35/05/30/852350530.db2.gz AQPCUDPPJBMHDR-FQEVSTJZSA-N -1 3 386.536 3.966 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(C)c2C)c1 ZINC000436803681 852362872 /nfs/dbraw/zinc/36/28/72/852362872.db2.gz QKSPFMALMSCOJL-UHFFFAOYSA-N -1 3 393.443 3.830 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([O-])c1 ZINC000436809996 852368730 /nfs/dbraw/zinc/36/87/30/852368730.db2.gz QJMWUMFNXMIFSA-SFHVURJKSA-N -1 3 381.476 3.771 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c([O-])c1 ZINC000436832130 852379995 /nfs/dbraw/zinc/37/99/95/852379995.db2.gz ZAWKURZSIALXIC-AWEZNQCLSA-N -1 3 395.463 3.551 20 0 GHADHM C/C(=C\c1ccccc1)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820005 852388086 /nfs/dbraw/zinc/38/80/86/852388086.db2.gz PGCIGUZXCIBEQR-UQCBTIDJSA-N -1 3 378.472 3.559 20 0 GHADHM O=C(Cc1cncn1Cc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000517789984 852412211 /nfs/dbraw/zinc/41/22/11/852412211.db2.gz XWBQDLXEYGZRRO-UHFFFAOYSA-N -1 3 375.350 3.837 20 0 GHADHM CC[C@@H](Sc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436851167 852417291 /nfs/dbraw/zinc/41/72/91/852417291.db2.gz KEMINQSXNLTGEL-HXUWFJFHSA-N -1 3 398.528 3.684 20 0 GHADHM Cc1nc(COc2ccc(CN[C@@H](C(=O)[O-])c3ccc(O)cc3)cc2)cs1 ZINC000426813412 852425119 /nfs/dbraw/zinc/42/51/19/852425119.db2.gz XARDGFLVLZWZTJ-LJQANCHMSA-N -1 3 384.457 3.652 20 0 GHADHM CCc1ccc([C@@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])cc1 ZINC000426826954 852440084 /nfs/dbraw/zinc/44/00/84/852440084.db2.gz UTKJGSZMOWCXDU-QGZVFWFLSA-N -1 3 378.266 3.936 20 0 GHADHM Cc1nc(-c2ccccc2NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cs1 ZINC000436902776 852467731 /nfs/dbraw/zinc/46/77/31/852467731.db2.gz RBHSCIKDQKSHKN-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM CC(C)[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436903871 852468841 /nfs/dbraw/zinc/46/88/41/852468841.db2.gz VIBMTFHWRGDSLA-NRFANRHFSA-N -1 3 394.515 3.628 20 0 GHADHM COc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cc(OC)c1[O-] ZINC000436907103 852472693 /nfs/dbraw/zinc/47/26/93/852472693.db2.gz DHYJMQCAZQCSEY-ZMZPIMSZSA-N -1 3 379.840 3.569 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H]3CC[C@@H](C)C3)cs2)c1 ZINC000436913253 852478564 /nfs/dbraw/zinc/47/85/64/852478564.db2.gz ISHGPRPYCXBOKN-OCCSQVGLSA-N -1 3 387.505 3.504 20 0 GHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000436920197 852500467 /nfs/dbraw/zinc/50/04/67/852500467.db2.gz FVDGIISQKBPXEU-HXUWFJFHSA-N -1 3 390.439 3.873 20 0 GHADHM Cc1ccc2sc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1 ZINC000436920444 852501565 /nfs/dbraw/zinc/50/15/65/852501565.db2.gz RTNZITIWXMKTMJ-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436927055 852508285 /nfs/dbraw/zinc/50/82/85/852508285.db2.gz NZSBFAZJDRBXFA-OZOXKJRCSA-N -1 3 380.488 3.948 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1c(C)noc1C ZINC000489670869 852520950 /nfs/dbraw/zinc/52/09/50/852520950.db2.gz HSSPUFFTFBQHRA-SNVBAGLBSA-N -1 3 396.362 3.759 20 0 GHADHM Cc1sc2ncnc(NC3CCN(C(=O)c4ccccc4[O-])CC3)c2c1C ZINC000436939496 852522818 /nfs/dbraw/zinc/52/28/18/852522818.db2.gz ZQLURSLTOZYBEZ-UHFFFAOYSA-N -1 3 382.489 3.730 20 0 GHADHM CC(C)C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436967209 852538136 /nfs/dbraw/zinc/53/81/36/852538136.db2.gz OUJZTAJZEXFMAR-OAQYLSRUSA-N -1 3 380.488 3.507 20 0 GHADHM CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436953365 852542738 /nfs/dbraw/zinc/54/27/38/852542738.db2.gz ORWRXQYAWLYKTI-UHFFFAOYSA-N -1 3 398.440 3.999 20 0 GHADHM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc4c(c3[O-])CCCC4)c2)n1 ZINC000436959077 852549154 /nfs/dbraw/zinc/54/91/54/852549154.db2.gz FEETWGJBJZEETJ-UHFFFAOYSA-N -1 3 376.460 3.780 20 0 GHADHM COc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC000436973460 852558731 /nfs/dbraw/zinc/55/87/31/852558731.db2.gz XPBAJMLCGUVVBE-XKQJLSEDSA-N -1 3 375.465 3.516 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](C)CC[C@@H]3C)cs2)c1 ZINC000436976045 852562691 /nfs/dbraw/zinc/56/26/91/852562691.db2.gz AGUGDTQYSWCBBS-KBPBESRZSA-N -1 3 387.505 3.599 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2cccc(F)c2o1 ZINC000436984271 852572091 /nfs/dbraw/zinc/57/20/91/852572091.db2.gz MEEPSJDCOQOFFB-DYVFJYSZSA-N -1 3 396.418 3.760 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436990854 852580058 /nfs/dbraw/zinc/58/00/58/852580058.db2.gz SRVWQXVAZFHHJT-UHFFFAOYSA-N -1 3 388.489 3.675 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436992199 852581261 /nfs/dbraw/zinc/58/12/61/852581261.db2.gz XZJIDRBLBJDTKN-FQEVSTJZSA-N -1 3 387.505 3.601 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000516464816 852590997 /nfs/dbraw/zinc/59/09/97/852590997.db2.gz DGHKRPFYEWLRAT-CYBMUJFWSA-N -1 3 398.413 3.593 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436985414 852593186 /nfs/dbraw/zinc/59/31/86/852593186.db2.gz CIOMGNXWSGEICM-DZGCQCFKSA-N -1 3 387.505 3.599 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c([O-])c1 ZINC000436985068 852593273 /nfs/dbraw/zinc/59/32/73/852593273.db2.gz GOBXJOLSFOLYHR-UHFFFAOYSA-N -1 3 377.872 3.898 20 0 GHADHM CCC1(CC)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000437000488 852617696 /nfs/dbraw/zinc/61/76/96/852617696.db2.gz UIQRJTPKIPJUGH-FQEVSTJZSA-N -1 3 380.488 3.902 20 0 GHADHM Cc1ccc(CNC(=O)C2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1F ZINC000507222494 852687618 /nfs/dbraw/zinc/68/76/18/852687618.db2.gz VGMBNQQLGAIIBK-UHFFFAOYSA-N -1 3 392.421 3.646 20 0 GHADHM CCSc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000516528575 852689161 /nfs/dbraw/zinc/68/91/61/852689161.db2.gz SDIDVPNSWNCNIY-UHFFFAOYSA-N -1 3 394.518 3.821 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(OC2CCCCC2)c1 ZINC000427089149 852714676 /nfs/dbraw/zinc/71/46/76/852714676.db2.gz XTDFWOREXYRHOC-UHFFFAOYSA-N -1 3 377.448 3.754 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(OC2CCCCC2)c1 ZINC000427089149 852714682 /nfs/dbraw/zinc/71/46/82/852714682.db2.gz XTDFWOREXYRHOC-UHFFFAOYSA-N -1 3 377.448 3.754 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cc(Br)ccc1F ZINC000518052357 852770917 /nfs/dbraw/zinc/77/09/17/852770917.db2.gz ZPNZXMALSFRQLH-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1OC ZINC000427192697 852842084 /nfs/dbraw/zinc/84/20/84/852842084.db2.gz OCPCPAKUZFWJCF-UHFFFAOYSA-N -1 3 382.438 3.562 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1Cl ZINC000481863032 862419303 /nfs/dbraw/zinc/41/93/03/862419303.db2.gz HZRYIZYEKOMDPT-UHFFFAOYSA-N -1 3 375.881 3.751 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc(C(F)F)c2)cc1 ZINC000506039560 853045588 /nfs/dbraw/zinc/04/55/88/853045588.db2.gz ZMIAUUAESOLURJ-UHFFFAOYSA-N -1 3 398.431 3.792 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1Cl ZINC000481863795 862423362 /nfs/dbraw/zinc/42/33/62/862423362.db2.gz GBKRKFIOFXIVJG-UHFFFAOYSA-N -1 3 375.881 3.751 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCSc2ccccc2)cc1OC ZINC000490542884 853094956 /nfs/dbraw/zinc/09/49/56/853094956.db2.gz JNQKCRQWVSPAHB-UHFFFAOYSA-N -1 3 394.518 3.578 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(OC)c(C)c3)c2)n1 ZINC000490611285 853136335 /nfs/dbraw/zinc/13/63/35/853136335.db2.gz WSEJQUVEFDMNHY-UHFFFAOYSA-N -1 3 393.443 3.746 20 0 GHADHM CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nc2sc(C)c(C)c2c1=O ZINC000329931298 862434083 /nfs/dbraw/zinc/43/40/83/862434083.db2.gz ANVISCVQUIENGT-NSHDSACASA-N -1 3 376.507 3.752 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298879 853209979 /nfs/dbraw/zinc/20/99/79/853209979.db2.gz QXPZRXLMQJNJMJ-UHFFFAOYSA-N -1 3 381.432 3.654 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298879 853209984 /nfs/dbraw/zinc/20/99/84/853209984.db2.gz QXPZRXLMQJNJMJ-UHFFFAOYSA-N -1 3 381.432 3.654 20 0 GHADHM CCC(CC)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000439049960 853236382 /nfs/dbraw/zinc/23/63/82/853236382.db2.gz ASHKVILWOGMMKW-FQEVSTJZSA-N -1 3 394.515 3.871 20 0 GHADHM Cc1cc(Br)c(NC(=O)c2nnc3ccccc3c2[O-])cc1Cl ZINC000163669704 853506502 /nfs/dbraw/zinc/50/65/02/853506502.db2.gz VCUSCUKLLYCAKJ-UHFFFAOYSA-N -1 3 392.640 3.900 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)s1 ZINC001212143123 853508512 /nfs/dbraw/zinc/50/85/12/853508512.db2.gz SWQQBJMJYMOLRY-JSGCOSHPSA-N -1 3 386.926 3.810 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440713062 853533722 /nfs/dbraw/zinc/53/37/22/853533722.db2.gz MPHYTCRCLALYIV-VQIMIIECSA-N -1 3 377.444 3.679 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)N(C)C)cc1 ZINC000519870645 853571407 /nfs/dbraw/zinc/57/14/07/853571407.db2.gz KGAPMBBGGOCTOR-INIZCTEOSA-N -1 3 387.332 3.883 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000163977234 853635658 /nfs/dbraw/zinc/63/56/58/853635658.db2.gz XIKYETGEQPSQMW-UHFFFAOYSA-N -1 3 399.903 3.973 20 0 GHADHM O=C([O-])C[C@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000517326639 853675017 /nfs/dbraw/zinc/67/50/17/853675017.db2.gz DMCZWBZHXXRNDF-OAHLLOKOSA-N -1 3 381.398 3.637 20 0 GHADHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000141073049 853717352 /nfs/dbraw/zinc/71/73/52/853717352.db2.gz YCCAUNSWBYLUJK-UHFFFAOYSA-N -1 3 392.297 3.529 20 0 GHADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000519996808 853736405 /nfs/dbraw/zinc/73/64/05/853736405.db2.gz CSXBSZADUNRFGF-QGZVFWFLSA-N -1 3 395.406 3.844 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1OCC(F)(F)F ZINC000440980175 853806221 /nfs/dbraw/zinc/80/62/21/853806221.db2.gz BQFMNPNUSQYPIV-UHFFFAOYSA-N -1 3 380.244 3.999 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCO[C@@H]1CCCC[C@H]1C)CC2 ZINC000571410699 853871804 /nfs/dbraw/zinc/87/18/04/853871804.db2.gz VOABDBAHUBQNNH-AYOQOUSVSA-N -1 3 391.508 3.673 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3nc4c(s3)CCC4)cc2)cc(=O)[n-]1 ZINC000571618843 853962696 /nfs/dbraw/zinc/96/26/96/853962696.db2.gz WWNVQUOJVJVILV-NSHDSACASA-N -1 3 395.488 3.986 20 0 GHADHM COC(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000520257604 853993030 /nfs/dbraw/zinc/99/30/30/853993030.db2.gz UEUWOBBWPSTPNL-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM Cc1ccccc1C(=O)N[N-]C(=O)c1cccnc1SCc1ccc(F)cc1 ZINC000045015075 854022727 /nfs/dbraw/zinc/02/27/27/854022727.db2.gz PNUAMKGDJGLIGA-UHFFFAOYSA-N -1 3 395.459 3.896 20 0 GHADHM CCc1nnc([C@H](C)N[C@@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]1 ZINC000623925687 862531121 /nfs/dbraw/zinc/53/11/21/862531121.db2.gz LWMSYLAWOYTFGT-GJZGRUSLSA-N -1 3 399.520 3.580 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000056072511 854315527 /nfs/dbraw/zinc/31/55/27/854315527.db2.gz QDPDAXYQNJGXNV-OAHLLOKOSA-N -1 3 385.892 3.731 20 0 GHADHM CC(C)[C@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000045150570 854344124 /nfs/dbraw/zinc/34/41/24/854344124.db2.gz CPWHPJBCGCFHKN-INIZCTEOSA-N -1 3 390.281 3.790 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000050807067 854361035 /nfs/dbraw/zinc/36/10/35/854361035.db2.gz MXASBWPMDUQFLS-UHFFFAOYSA-N -1 3 379.485 3.642 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481944723 862556932 /nfs/dbraw/zinc/55/69/32/862556932.db2.gz RBYAZQXCZPDRMM-CYBMUJFWSA-N -1 3 381.407 3.511 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c(=O)[n-]1 ZINC000113076332 854369235 /nfs/dbraw/zinc/36/92/35/854369235.db2.gz VJIRZGMNWCJSOM-IBGZPJMESA-N -1 3 375.900 3.828 20 0 GHADHM Cc1nc2cc(C[N-]S(=O)(=O)c3cc(F)c(C)cc3F)ccc2n1C1CC1 ZINC000520435703 854604300 /nfs/dbraw/zinc/60/43/00/854604300.db2.gz FPFPKGRVTGWCNK-UHFFFAOYSA-N -1 3 391.443 3.745 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Cc4ccc(F)cc4)CC3)nc2)n1 ZINC000068697009 854611993 /nfs/dbraw/zinc/61/19/93/854611993.db2.gz JNXXBMCLAQAIKX-UHFFFAOYSA-N -1 3 392.478 3.993 20 0 GHADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cs1 ZINC000330841553 854764031 /nfs/dbraw/zinc/76/40/31/854764031.db2.gz ZQPMZNDJMIHPLI-UHFFFAOYSA-N -1 3 393.940 3.758 20 0 GHADHM CCOc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1OCc1cccnc1 ZINC000544324836 854777800 /nfs/dbraw/zinc/77/78/00/854777800.db2.gz IOLFHRLJRUKKIG-UHFFFAOYSA-N -1 3 379.416 3.721 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)c2cnc3cc(OC)cc(OC)c3c2[O-])c1 ZINC000624590134 854927490 /nfs/dbraw/zinc/92/74/90/854927490.db2.gz STTTXRPNILTYJA-ZDUSSCGKSA-N -1 3 396.443 3.975 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(CC)Cc3ccoc3)nc(=O)c2c1C ZINC000153535947 855062441 /nfs/dbraw/zinc/06/24/41/855062441.db2.gz MNMFBGNFZQBYNL-LBPRGKRZSA-N -1 3 389.477 3.646 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000056838136 855092219 /nfs/dbraw/zinc/09/22/19/855092219.db2.gz IVIQNLYPMNEQGR-UHFFFAOYSA-N -1 3 383.402 3.787 20 0 GHADHM Cc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000589704002 855114223 /nfs/dbraw/zinc/11/42/23/855114223.db2.gz WDGGBRNGAYSPHX-LJQANCHMSA-N -1 3 384.863 3.942 20 0 GHADHM O=S(=O)([N-]c1ccsc1Cl)c1cccc(I)c1 ZINC000189733153 855186572 /nfs/dbraw/zinc/18/65/72/855186572.db2.gz IBVKTXUPROLYLU-UHFFFAOYSA-N -1 3 399.662 3.807 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)[N-]OCc1cccc(C)n1 ZINC001168634799 855329504 /nfs/dbraw/zinc/32/95/04/855329504.db2.gz VPNYGIJGGMRKRP-UHFFFAOYSA-N -1 3 392.503 3.741 20 0 GHADHM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1ccc2c(c1)CCO2 ZINC000055633089 855364071 /nfs/dbraw/zinc/36/40/71/855364071.db2.gz RSLWNFSSANPLQR-UHFFFAOYSA-N -1 3 385.441 3.732 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnc(-c2cccnc2)s1 ZINC000536429609 855474434 /nfs/dbraw/zinc/47/44/34/855474434.db2.gz LAODFPLVXDHAKN-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000056409695 855541363 /nfs/dbraw/zinc/54/13/63/855541363.db2.gz MXTADFWVLGRZEP-OAHLLOKOSA-N -1 3 390.505 3.896 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000056409697 855541389 /nfs/dbraw/zinc/54/13/89/855541389.db2.gz GAWZVHYPTUDFAC-AWEZNQCLSA-N -1 3 390.505 3.762 20 0 GHADHM C[C@@H]1CCc2nc(CNC[C@H](Cc3cc(F)c(F)c(F)c3)C(=O)[O-])sc2C1 ZINC000417640146 855787061 /nfs/dbraw/zinc/78/70/61/855787061.db2.gz WIZXZDLIOVZYRV-PWSUYJOCSA-N -1 3 398.450 3.718 20 0 GHADHM CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000057157289 855804680 /nfs/dbraw/zinc/80/46/80/855804680.db2.gz NNUSZFWJMLVODW-HNNXBMFYSA-N -1 3 390.505 3.723 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC[C@@H](F)C3)c2)cc1 ZINC000573117485 855849723 /nfs/dbraw/zinc/84/97/23/855849723.db2.gz HQLSRMJNZHOGAG-WBVHZDCISA-N -1 3 390.480 3.725 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCCC(C)(C)C)cc1Cl ZINC000591392923 855977126 /nfs/dbraw/zinc/97/71/26/855977126.db2.gz MDMFXBXDBGKTAA-UHFFFAOYSA-N -1 3 378.897 3.932 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cnc(C(C)(C)C)s2)n[n-]1 ZINC000895103797 856005390 /nfs/dbraw/zinc/00/53/90/856005390.db2.gz CLHFMRFACRZNFC-ZDUSSCGKSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc(C(C)(C)C)s2)[n-]1 ZINC000895103797 856005395 /nfs/dbraw/zinc/00/53/95/856005395.db2.gz CLHFMRFACRZNFC-ZDUSSCGKSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cnc(C(C)(C)C)s2)n1 ZINC000895103797 856005403 /nfs/dbraw/zinc/00/54/03/856005403.db2.gz CLHFMRFACRZNFC-ZDUSSCGKSA-N -1 3 379.530 3.612 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC12CCC2 ZINC000674253346 856038147 /nfs/dbraw/zinc/03/81/47/856038147.db2.gz HKWUIEFOLKLMMX-UHFFFAOYSA-N -1 3 388.464 3.704 20 0 GHADHM O=C(NCCC1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000029343915 856039765 /nfs/dbraw/zinc/03/97/65/856039765.db2.gz LLHQNFSQHIMBOR-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2)n[nH]1 ZINC000485111254 856123289 /nfs/dbraw/zinc/12/32/89/856123289.db2.gz ZJYLBOYPXKQOEK-UHFFFAOYSA-N -1 3 385.387 3.564 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2c(c1)NC(=O)CS2 ZINC000485131130 856130273 /nfs/dbraw/zinc/13/02/73/856130273.db2.gz WHRVAJHZJAZLSC-UHFFFAOYSA-N -1 3 391.412 3.514 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2c(c1)NC(=O)CS2 ZINC000485131130 856130289 /nfs/dbraw/zinc/13/02/89/856130289.db2.gz WHRVAJHZJAZLSC-UHFFFAOYSA-N -1 3 391.412 3.514 20 0 GHADHM COc1cc(C)ccc1OCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485122836 856136729 /nfs/dbraw/zinc/13/67/29/856136729.db2.gz LEKNISLMBUPDIR-UHFFFAOYSA-N -1 3 378.388 3.552 20 0 GHADHM COc1cc(C)ccc1OCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485122836 856136746 /nfs/dbraw/zinc/13/67/46/856136746.db2.gz LEKNISLMBUPDIR-UHFFFAOYSA-N -1 3 378.388 3.552 20 0 GHADHM CCN(Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1)C(=O)C(F)(F)F ZINC000195562508 856284230 /nfs/dbraw/zinc/28/42/30/856284230.db2.gz GQPDOAKRBFGSMP-UHFFFAOYSA-N -1 3 380.366 3.864 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000591818251 856325299 /nfs/dbraw/zinc/32/52/99/856325299.db2.gz GUYLADYAQVGNGX-HNNXBMFYSA-N -1 3 395.406 3.924 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000760895419 856331715 /nfs/dbraw/zinc/33/17/15/856331715.db2.gz ZDEONSKCZGXIAU-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1OC(F)F ZINC000591813713 856352120 /nfs/dbraw/zinc/35/21/20/856352120.db2.gz AHWZNCDOQUJPMM-MRVPVSSYSA-N -1 3 381.322 3.745 20 0 GHADHM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000195357185 856386092 /nfs/dbraw/zinc/38/60/92/856386092.db2.gz GKHOGMLZRDQGQF-HNNXBMFYSA-N -1 3 392.249 3.846 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000485392392 856434858 /nfs/dbraw/zinc/43/48/58/856434858.db2.gz GLKPRPGTJXXJND-SFHVURJKSA-N -1 3 379.453 3.801 20 0 GHADHM O=S(=O)([N-]C[C@H](OC1CCCC1)C(F)(F)F)c1cscc1C(F)F ZINC001212438500 856491905 /nfs/dbraw/zinc/49/19/05/856491905.db2.gz WTJHMMIHNQNMTQ-NSHDSACASA-N -1 3 393.399 3.854 20 0 GHADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472241959 856542296 /nfs/dbraw/zinc/54/22/96/856542296.db2.gz NOJKUQKREYXDNK-UHFFFAOYSA-N -1 3 378.428 3.898 20 0 GHADHM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)c2)n1 ZINC000592003693 856564537 /nfs/dbraw/zinc/56/45/37/856564537.db2.gz UKYZHXSVBPFBEY-HNNXBMFYSA-N -1 3 383.473 3.613 20 0 GHADHM CCCc1ccc2nccc(N3CCC(n4cnc(C(=O)[O-])c4N)CC3)c2c1 ZINC000573924553 856619833 /nfs/dbraw/zinc/61/98/33/856619833.db2.gz VPGVYPIGGCMWTC-UHFFFAOYSA-N -1 3 379.464 3.506 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(C2CCCC2)n1 ZINC000058307496 856628689 /nfs/dbraw/zinc/62/86/89/856628689.db2.gz WKXAPQJMTZWPSQ-UHFFFAOYSA-N -1 3 385.489 3.654 20 0 GHADHM Cc1cccc([C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(=O)OC(C)(C)C)c1 ZINC000888401723 856643337 /nfs/dbraw/zinc/64/33/37/856643337.db2.gz VNFUUDSIKBPCKQ-FQEVSTJZSA-N -1 3 392.455 3.649 20 0 GHADHM CN1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472432813 856711414 /nfs/dbraw/zinc/71/14/14/856711414.db2.gz MSTXBTDYKBAXKJ-TZIWHRDSSA-N -1 3 382.410 3.999 20 0 GHADHM O=C(COCc1nc2ccccc2s1)Nc1cc(Br)ccc1[O-] ZINC000674745338 856758143 /nfs/dbraw/zinc/75/81/43/856758143.db2.gz VSSVDYZPVYLRLM-UHFFFAOYSA-N -1 3 393.262 3.920 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000674746340 856760251 /nfs/dbraw/zinc/76/02/51/856760251.db2.gz MGEDIJNZFZDUJJ-UHFFFAOYSA-N -1 3 392.377 3.684 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Cl)s1 ZINC000062575389 856761304 /nfs/dbraw/zinc/76/13/04/856761304.db2.gz WYBROVCMWIAJRM-NSHDSACASA-N -1 3 391.345 3.860 20 0 GHADHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000672173757 856769272 /nfs/dbraw/zinc/76/92/72/856769272.db2.gz JSBPUTAPPRVWEE-FZKQIMNGSA-N -1 3 379.378 3.775 20 0 GHADHM C[C@H](CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000427846034 856790973 /nfs/dbraw/zinc/79/09/73/856790973.db2.gz YTPWYLCLGDSGSV-CYBMUJFWSA-N -1 3 391.880 3.613 20 0 GHADHM O=c1cc(-c2nc(C3(c4ccc(Br)cc4)CC3)no2)nc(C2CC2)[n-]1 ZINC000906136794 856860598 /nfs/dbraw/zinc/86/05/98/856860598.db2.gz BSYYTRFOMQNVDZ-UHFFFAOYSA-N -1 3 399.248 3.952 20 0 GHADHM COCc1cnc([N-]C(=O)c2cc(-c3ccc(Br)cc3)no2)s1 ZINC001128863681 856883189 /nfs/dbraw/zinc/88/31/89/856883189.db2.gz MVZHKVSSJMSCCS-UHFFFAOYSA-N -1 3 394.250 3.959 20 0 GHADHM CCCCc1nc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C(=O)OCC)[n-]1 ZINC000485667122 856902899 /nfs/dbraw/zinc/90/28/99/856902899.db2.gz GYMGHVHIMWARLY-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000436993189 856926512 /nfs/dbraw/zinc/92/65/12/856926512.db2.gz ZNABVHVQIOZCCP-KRWDZBQOSA-N -1 3 391.427 3.878 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CCCc3sc(C)nc32)c(C(=O)OCC)[n-]1 ZINC000485709202 856964734 /nfs/dbraw/zinc/96/47/34/856964734.db2.gz KGWSMVKJCMPDPS-GFCCVEGCSA-N -1 3 390.509 3.753 20 0 GHADHM CCCCc1nc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c(C(=O)OCC)[n-]1 ZINC000485713106 856980170 /nfs/dbraw/zinc/98/01/70/856980170.db2.gz XYVKFYSMTHJGSB-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM CCN(CCc1ccccn1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906378065 857029371 /nfs/dbraw/zinc/02/93/71/857029371.db2.gz IUCYTCXQTJTYFH-UHFFFAOYSA-N -1 3 376.482 3.590 20 0 GHADHM COc1cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc(OC)c1[O-] ZINC000428020500 857029643 /nfs/dbraw/zinc/02/96/43/857029643.db2.gz JAYDOYIYCGPVLN-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)cc1OC ZINC000508234948 857104540 /nfs/dbraw/zinc/10/45/40/857104540.db2.gz IXTGQUISAJFNPP-CABCVRRESA-N -1 3 397.541 3.793 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000675250487 857106982 /nfs/dbraw/zinc/10/69/82/857106982.db2.gz JXLPJSHEOPEFSR-UHFFFAOYSA-N -1 3 378.432 3.517 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2)n1 ZINC000064342140 857133492 /nfs/dbraw/zinc/13/34/92/857133492.db2.gz YVFJXFKIQACSSZ-UHFFFAOYSA-N -1 3 377.419 3.945 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnc2c(c1)CCCC2 ZINC000542958649 857169100 /nfs/dbraw/zinc/16/91/00/857169100.db2.gz HFNDVNJBQBXMLZ-UHFFFAOYSA-N -1 3 376.254 3.750 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cccc(OC(C)C)c3)[n-]c(=O)c12 ZINC000057812772 857237685 /nfs/dbraw/zinc/23/76/85/857237685.db2.gz FPBFWILQPGUZOB-UHFFFAOYSA-N -1 3 399.472 3.905 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC(F)(F)C1 ZINC000441862752 857251737 /nfs/dbraw/zinc/25/17/37/857251737.db2.gz ATUIFIAANYBGLO-UHFFFAOYSA-N -1 3 390.615 3.898 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC(C)(CC(C)C)CC3)c(=O)c2c(OC)c1 ZINC000627318815 857254091 /nfs/dbraw/zinc/25/40/91/857254091.db2.gz BAQASNHQVNXGQL-UHFFFAOYSA-N -1 3 386.492 3.834 20 0 GHADHM O=C(OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332857 857304441 /nfs/dbraw/zinc/30/44/41/857304441.db2.gz GZGHDSLGMCVGRN-MRXNPFEDSA-N -1 3 393.361 3.759 20 0 GHADHM COc1cc(C(=O)CCC(=O)Nc2c([O-])cccc2Cl)cc(OC)c1OC ZINC000569238169 857317526 /nfs/dbraw/zinc/31/75/26/857317526.db2.gz KRDBSLCMSRPXMC-UHFFFAOYSA-N -1 3 393.823 3.673 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1CO ZINC000060165954 857413265 /nfs/dbraw/zinc/41/32/65/857413265.db2.gz VVHNNWODPFFHNK-UHFFFAOYSA-N -1 3 377.506 3.967 20 0 GHADHM COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c(Br)c1[O-] ZINC000761015577 857432063 /nfs/dbraw/zinc/43/20/63/857432063.db2.gz NXHXBTVBUQJCPA-WQLSENKSSA-N -1 3 392.180 3.647 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccn(CC(F)(F)F)n2)s1 ZINC000907085364 857474264 /nfs/dbraw/zinc/47/42/64/857474264.db2.gz MHUOWDOUQNRBFO-UHFFFAOYSA-N -1 3 391.375 3.501 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1c(C)noc1C ZINC000907139946 857492185 /nfs/dbraw/zinc/49/21/85/857492185.db2.gz XQWOCWOLIRPXJT-LLVKDONJSA-N -1 3 388.212 3.808 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000675670343 857555637 /nfs/dbraw/zinc/55/56/37/857555637.db2.gz BFEIFLQUVKSFTK-ZDUSSCGKSA-N -1 3 398.406 3.544 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000063109834 857591768 /nfs/dbraw/zinc/59/17/68/857591768.db2.gz QHKHWLWABHXSGQ-UHFFFAOYSA-N -1 3 395.390 3.607 20 0 GHADHM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000442217731 857633915 /nfs/dbraw/zinc/63/39/15/857633915.db2.gz BYWBXIZFFUENSA-UHFFFAOYSA-N -1 3 387.505 3.524 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOCC3(CCCC3)C2)s1 ZINC000907491598 857660192 /nfs/dbraw/zinc/66/01/92/857660192.db2.gz JTFXAYNWKMOXMA-UHFFFAOYSA-N -1 3 381.498 3.523 20 0 GHADHM Cc1cc(C)c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Br ZINC000486339450 857661459 /nfs/dbraw/zinc/66/14/59/857661459.db2.gz GSHWPFYSDSTLDE-UHFFFAOYSA-N -1 3 392.179 3.525 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000907650349 857717227 /nfs/dbraw/zinc/71/72/27/857717227.db2.gz KFFJOFANFNSOSK-UHFFFAOYSA-N -1 3 394.656 3.678 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000064956721 857757745 /nfs/dbraw/zinc/75/77/45/857757745.db2.gz OUSKPQZDDAZSJC-CZUORRHYSA-N -1 3 382.888 3.593 20 0 GHADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000064995297 857760951 /nfs/dbraw/zinc/76/09/51/857760951.db2.gz CEMDPBBYACQJPD-CABCVRRESA-N -1 3 396.491 3.598 20 0 GHADHM Cc1ccc([C@H](CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC000907806441 857773695 /nfs/dbraw/zinc/77/36/95/857773695.db2.gz KZRUSYZXXBPKRA-HFMPRLQTSA-N -1 3 392.499 3.507 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1)c1cccc(Br)c1Cl ZINC000521282465 857813479 /nfs/dbraw/zinc/81/34/79/857813479.db2.gz LWTYMPVKHBRBTG-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000594022102 857840891 /nfs/dbraw/zinc/84/08/91/857840891.db2.gz WPISBWBRALBTLB-UHFFFAOYSA-N -1 3 375.313 3.649 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000486568047 857870645 /nfs/dbraw/zinc/87/06/45/857870645.db2.gz ZFVFGEQMZSUHPF-CMPLNLGQSA-N -1 3 385.835 3.996 20 0 GHADHM Cc1ccc(C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)c([O-])c1 ZINC000031416365 857917275 /nfs/dbraw/zinc/91/72/75/857917275.db2.gz STWAFKTYLNWUDT-UHFFFAOYSA-N -1 3 385.427 3.705 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)c1F ZINC001212487883 857923491 /nfs/dbraw/zinc/92/34/91/857923491.db2.gz JCHNZNOYYIUTNX-AWEZNQCLSA-N -1 3 387.448 3.533 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(OCC(F)F)cc1 ZINC000181679974 862969517 /nfs/dbraw/zinc/96/95/17/862969517.db2.gz KURLUGGZRMSLLV-UHFFFAOYSA-N -1 3 380.372 3.786 20 0 GHADHM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc([O-])c2ccccc2c1 ZINC000473219656 857960500 /nfs/dbraw/zinc/96/05/00/857960500.db2.gz GYUPBMJUNFWTCQ-UHFFFAOYSA-N -1 3 384.439 3.926 20 0 GHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000066106362 857967304 /nfs/dbraw/zinc/96/73/04/857967304.db2.gz OUULQGDVYQREIB-UHFFFAOYSA-N -1 3 395.369 3.577 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc(Br)ccc1Cl ZINC000486689377 857999108 /nfs/dbraw/zinc/99/91/08/857999108.db2.gz IMOCKGCVRGOKPT-VIFPVBQESA-N -1 3 388.661 3.959 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cs1 ZINC000066274065 858034692 /nfs/dbraw/zinc/03/46/92/858034692.db2.gz NWJUAIDRQQUPKW-UHFFFAOYSA-N -1 3 390.461 3.913 20 0 GHADHM CCCOC1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCCC1 ZINC000442743882 858104103 /nfs/dbraw/zinc/10/41/03/858104103.db2.gz LFILAROASKYNRG-UHFFFAOYSA-N -1 3 380.432 3.508 20 0 GHADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000521568148 858121403 /nfs/dbraw/zinc/12/14/03/858121403.db2.gz VHJNZXUYJOLYSV-NSHDSACASA-N -1 3 382.279 3.882 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1c(F)cccc1Cl ZINC000442768689 858128215 /nfs/dbraw/zinc/12/82/15/858128215.db2.gz LRRHWJZQZOTNRU-MRVPVSSYSA-N -1 3 382.766 3.932 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1 ZINC000574642817 858128699 /nfs/dbraw/zinc/12/86/99/858128699.db2.gz DCNWHFOBUCBONO-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594399695 858130989 /nfs/dbraw/zinc/13/09/89/858130989.db2.gz PENJXLNCOWTRJH-AEGPPILISA-N -1 3 379.472 3.583 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000594542377 858200432 /nfs/dbraw/zinc/20/04/32/858200432.db2.gz ISXDPLVYEBYRIC-QHCPKHFHSA-N -1 3 387.483 3.906 20 0 GHADHM O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc2n[n-]nc21 ZINC000682153675 858302601 /nfs/dbraw/zinc/30/26/01/858302601.db2.gz PESCLJQPDCXOFD-HTQZYQBOSA-N -1 3 380.292 3.597 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000443088943 858348222 /nfs/dbraw/zinc/34/82/22/858348222.db2.gz CIDAGEUYARHDNV-UHFFFAOYSA-N -1 3 399.443 3.680 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC000443115687 858382385 /nfs/dbraw/zinc/38/23/85/858382385.db2.gz ITGQRBOODBITSH-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)c(C)c1Cl ZINC000121063473 858443529 /nfs/dbraw/zinc/44/35/29/858443529.db2.gz ACPQYTBNGOFSGI-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)c(C)c1Cl ZINC000121063473 858443532 /nfs/dbraw/zinc/44/35/32/858443532.db2.gz ACPQYTBNGOFSGI-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000443349798 858577405 /nfs/dbraw/zinc/57/74/05/858577405.db2.gz HCUXWHFTDFOSKD-CYBMUJFWSA-N -1 3 385.894 3.776 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N=c1cc(-c3cccnc3)[n-][nH]1)ccc2Br ZINC000443353493 858594188 /nfs/dbraw/zinc/59/41/88/858594188.db2.gz CDSLLJYQTVODGV-UHFFFAOYSA-N -1 3 397.232 3.963 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(OCC(F)F)cc1 ZINC000543163325 858695475 /nfs/dbraw/zinc/69/54/75/858695475.db2.gz HGKZNPPJPIQLDZ-UHFFFAOYSA-N -1 3 383.416 3.920 20 0 GHADHM CC[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Br)cc1 ZINC000761138003 858707793 /nfs/dbraw/zinc/70/77/93/858707793.db2.gz ZMDASBYHZPFSRT-MRXNPFEDSA-N -1 3 392.249 3.579 20 0 GHADHM CCOC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000314686638 858726347 /nfs/dbraw/zinc/72/63/47/858726347.db2.gz DCLOTMIJNSLWMH-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCC(C)(C)CC1 ZINC001126934880 858743328 /nfs/dbraw/zinc/74/33/28/858743328.db2.gz PCEZWQSSUDUUNA-UHFFFAOYSA-N -1 3 398.544 3.943 20 0 GHADHM CC[C@H](CCNCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596020339 858761311 /nfs/dbraw/zinc/76/13/11/858761311.db2.gz IPBPDZDBWFHTOE-SECBINFHSA-N -1 3 381.641 3.535 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000055288666 858808074 /nfs/dbraw/zinc/80/80/74/858808074.db2.gz VIKWPCYUSNFQFX-UHFFFAOYSA-N -1 3 383.835 3.684 20 0 GHADHM CCC(CC)(NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000068005471 858831450 /nfs/dbraw/zinc/83/14/50/858831450.db2.gz XEAMDPFDQIOMPE-UHFFFAOYSA-N -1 3 375.900 3.804 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2c(OC(F)F)ccc3ccccc32)n[n-]1 ZINC000895235468 858842830 /nfs/dbraw/zinc/84/28/30/858842830.db2.gz IQUAGJUWKYJLEC-LLVKDONJSA-N -1 3 390.390 3.587 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2c(OC(F)F)ccc3ccccc32)[n-]1 ZINC000895235468 858842841 /nfs/dbraw/zinc/84/28/41/858842841.db2.gz IQUAGJUWKYJLEC-LLVKDONJSA-N -1 3 390.390 3.587 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2c(OC(F)F)ccc3ccccc32)n1 ZINC000895235468 858842851 /nfs/dbraw/zinc/84/28/51/858842851.db2.gz IQUAGJUWKYJLEC-LLVKDONJSA-N -1 3 390.390 3.587 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cc(-c3ccccc3)ccc2OC)n[n-]1 ZINC000895238225 858848020 /nfs/dbraw/zinc/84/80/20/858848020.db2.gz ZIKXGHWVWKNRHR-AWEZNQCLSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2cc(-c3ccccc3)ccc2OC)[n-]1 ZINC000895238225 858848033 /nfs/dbraw/zinc/84/80/33/858848033.db2.gz ZIKXGHWVWKNRHR-AWEZNQCLSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cc(-c3ccccc3)ccc2OC)n1 ZINC000895238225 858848051 /nfs/dbraw/zinc/84/80/51/858848051.db2.gz ZIKXGHWVWKNRHR-AWEZNQCLSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(N(C)c3ccccc3)cc2)[n-]1 ZINC000895238291 858848515 /nfs/dbraw/zinc/84/85/15/858848515.db2.gz XGIHETMIZFVVGP-HNNXBMFYSA-N -1 3 379.464 3.600 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2cnc(-c3ccc(C)c(C)c3)s2)n[n-]1 ZINC000895241637 858877482 /nfs/dbraw/zinc/87/74/82/858877482.db2.gz OKJGLYCBRBFBLY-CYBMUJFWSA-N -1 3 385.493 3.573 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2cnc(-c3ccc(C)c(C)c3)s2)[n-]1 ZINC000895241637 858877491 /nfs/dbraw/zinc/87/74/91/858877491.db2.gz OKJGLYCBRBFBLY-CYBMUJFWSA-N -1 3 385.493 3.573 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2cnc(-c3ccc(C)c(C)c3)s2)n1 ZINC000895241637 858877500 /nfs/dbraw/zinc/87/75/00/858877500.db2.gz OKJGLYCBRBFBLY-CYBMUJFWSA-N -1 3 385.493 3.573 20 0 GHADHM CCCc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1cccc(Cl)c1 ZINC000068091883 858881661 /nfs/dbraw/zinc/88/16/61/858881661.db2.gz XWEZYAAELGSVAM-UHFFFAOYSA-N -1 3 398.826 3.915 20 0 GHADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(CC)ccc1[O-] ZINC000093918619 858906160 /nfs/dbraw/zinc/90/61/60/858906160.db2.gz COLDSJBGVNZOBE-UHFFFAOYSA-N -1 3 394.393 3.863 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(Cl)c(C[S@](C)=O)c3)c[n-]c12 ZINC000483047405 859097613 /nfs/dbraw/zinc/09/76/13/859097613.db2.gz KVBJRFFYHOCERT-SANMLTNESA-N -1 3 388.876 3.621 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCOc4cccc(F)c4C3)cc2)cc(=O)[n-]1 ZINC000509354200 859150952 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CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000923465508 859331925 /nfs/dbraw/zinc/33/19/25/859331925.db2.gz FWPOUXZNLPHDOV-QHCPKHFHSA-N -1 3 396.487 3.781 20 0 GHADHM Cc1cc(C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(C)n1CCc1ccccc1 ZINC000923529037 859397674 /nfs/dbraw/zinc/39/76/74/859397674.db2.gz JHMNPGILRDOOKT-FCHUYYIVSA-N -1 3 394.515 3.573 20 0 GHADHM CCn1c(CNCc2nc(C)ccc2[O-])nc2cc(Br)ccc21 ZINC000483484760 859406678 /nfs/dbraw/zinc/40/66/78/859406678.db2.gz AHURCNBGCJWNDW-UHFFFAOYSA-N -1 3 375.270 3.518 20 0 GHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc2F)c1 ZINC000543683403 859418872 /nfs/dbraw/zinc/41/88/72/859418872.db2.gz OCMUWXBLAGDKTE-AWEZNQCLSA-N -1 3 393.406 3.575 20 0 GHADHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509434427 859436941 /nfs/dbraw/zinc/43/69/41/859436941.db2.gz YJWQKZCMSZAAQV-QMMMGPOBSA-N -1 3 396.818 3.873 20 0 GHADHM CCCCCN(Cc1ccc(F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483542161 859439250 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/nfs/dbraw/zinc/42/35/61/868423561.db2.gz IKQYUIIPGRKKJT-OAHLLOKOSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737509707 868423584 /nfs/dbraw/zinc/42/35/84/868423584.db2.gz IKQYUIIPGRKKJT-OAHLLOKOSA-N -1 3 391.401 3.577 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3ccoc3)no2)c1 ZINC000445458222 868494505 /nfs/dbraw/zinc/49/45/05/868494505.db2.gz WZOIFMTZAAVBNY-UHFFFAOYSA-N -1 3 385.376 3.937 20 0 GHADHM CCSc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1 ZINC000479809555 868548705 /nfs/dbraw/zinc/54/87/05/868548705.db2.gz XFRVHVQIMPAIDJ-UHFFFAOYSA-N -1 3 394.518 3.821 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000648431732 882208089 /nfs/dbraw/zinc/20/80/89/882208089.db2.gz BOHMBYUMOQLHAT-RNFRBKRXSA-N -1 3 384.210 3.978 20 0 GHADHM CC(C)(C)c1csc(CNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000121779671 882213713 /nfs/dbraw/zinc/21/37/13/882213713.db2.gz DJCKNQFDAYDWGZ-UHFFFAOYSA-N -1 3 398.326 3.908 20 0 GHADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000445706557 868880011 /nfs/dbraw/zinc/88/00/11/868880011.db2.gz FSVVEFFQTGCTSS-JTQLQIEISA-N -1 3 392.212 3.844 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(OCCC(C)C)c1 ZINC000480011264 868897074 /nfs/dbraw/zinc/89/70/74/868897074.db2.gz GFVFYCWJXAQCJS-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(OCCC(C)C)c1 ZINC000480011264 868897088 /nfs/dbraw/zinc/89/70/88/868897088.db2.gz GFVFYCWJXAQCJS-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)c([O-])c1 ZINC000535542532 868918981 /nfs/dbraw/zinc/91/89/81/868918981.db2.gz MWOXDIOCJHDIOK-UHFFFAOYSA-N -1 3 381.384 3.993 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc(CCc4ccccc4)no3)n[n-]2)o1 ZINC000744786828 869077804 /nfs/dbraw/zinc/07/78/04/869077804.db2.gz HGEPCWACAFXAJM-UHFFFAOYSA-N -1 3 378.388 3.503 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc(CCc4ccccc4)no3)[n-]n2)o1 ZINC000744786828 869077811 /nfs/dbraw/zinc/07/78/11/869077811.db2.gz HGEPCWACAFXAJM-UHFFFAOYSA-N -1 3 378.388 3.503 20 0 GHADHM CCCCn1ccnc1-c1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000445938696 869180908 /nfs/dbraw/zinc/18/09/08/869180908.db2.gz QHYFEAPISWYCHG-AWEZNQCLSA-N -1 3 380.370 3.727 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462346057 869266141 /nfs/dbraw/zinc/26/61/41/869266141.db2.gz MNXIBRBHWOQMRA-VHSXEESVSA-N -1 3 384.386 3.772 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000825552971 882291527 /nfs/dbraw/zinc/29/15/27/882291527.db2.gz GQJSEEUDQNGVDP-UHFFFAOYSA-N -1 3 378.436 3.793 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000825552971 882291537 /nfs/dbraw/zinc/29/15/37/882291537.db2.gz GQJSEEUDQNGVDP-UHFFFAOYSA-N -1 3 378.436 3.793 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000462420834 869385131 /nfs/dbraw/zinc/38/51/31/869385131.db2.gz VZPZSVQQVUVBJW-UHFFFAOYSA-N -1 3 394.399 3.840 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)cc1Cl ZINC000462504750 869567112 /nfs/dbraw/zinc/56/71/12/869567112.db2.gz SVEPDNKUQLWGAB-IUODEOHRSA-N -1 3 388.892 3.685 20 0 GHADHM C/C(=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000745488288 869586139 /nfs/dbraw/zinc/58/61/39/869586139.db2.gz VBBTTWHHMWDNJU-FLIBITNWSA-N -1 3 397.374 3.670 20 0 GHADHM CC1(C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000857512681 882317488 /nfs/dbraw/zinc/31/74/88/882317488.db2.gz QHASIPADRIPIAN-AWEZNQCLSA-N -1 3 385.304 3.983 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2cccc3ccccc32)cc1[O-] ZINC000745652923 869722671 /nfs/dbraw/zinc/72/26/71/869722671.db2.gz MPXONSZTFCJONN-UHFFFAOYSA-N -1 3 381.384 3.960 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)no2)cc1[O-] ZINC000745654718 869723432 /nfs/dbraw/zinc/72/34/32/869723432.db2.gz DWDGORONGULHRL-UHFFFAOYSA-N -1 3 386.335 3.722 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](c3cccc(Cl)c3)N(C)C)cc2)n1 ZINC000524963146 869813885 /nfs/dbraw/zinc/81/38/85/869813885.db2.gz YGWQGUNWCKJOGU-LJQANCHMSA-N -1 3 396.878 3.640 20 0 GHADHM COc1cc(CN(C)C(=O)c2cc(=O)c3ccccc3[n-]2)c(SC)cc1OC ZINC000524949902 869832449 /nfs/dbraw/zinc/83/24/49/869832449.db2.gz AZYNAPLHXHZDOV-UHFFFAOYSA-N -1 3 398.484 3.539 20 0 GHADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000462713188 869924553 /nfs/dbraw/zinc/92/45/53/869924553.db2.gz YYZLNIIXNXJXED-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccccc1F ZINC000462701426 869926936 /nfs/dbraw/zinc/92/69/36/869926936.db2.gz NYCBPDQXSQYMPK-JTQLQIEISA-N -1 3 395.349 3.729 20 0 GHADHM O=C1S/C(=C\c2cccs2)C(=O)N1Cc1noc(-c2ccccc2[O-])n1 ZINC000920751592 882356288 /nfs/dbraw/zinc/35/62/88/882356288.db2.gz FCVCTTKYMBDBAG-JYRVWZFOSA-N -1 3 385.426 3.740 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000539946777 870055114 /nfs/dbraw/zinc/05/51/14/870055114.db2.gz ZYTSZTANAGCSOR-CQSZACIVSA-N -1 3 379.503 3.689 20 0 GHADHM COc1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1Cl ZINC000011808821 882375762 /nfs/dbraw/zinc/37/57/62/882375762.db2.gz AMRHGCDJMLZEOF-UHFFFAOYSA-N -1 3 377.611 3.779 20 0 GHADHM COc1ccc(-c2noc(COC(=O)c3cc(Cl)c(Cl)[n-]3)n2)c(OC)c1 ZINC000011810311 882378506 /nfs/dbraw/zinc/37/85/06/882378506.db2.gz BFHJWQHXRWSQKQ-UHFFFAOYSA-N -1 3 398.202 3.746 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(Br)c2)c([O-])c1 ZINC000540023710 870231024 /nfs/dbraw/zinc/23/10/24/870231024.db2.gz AEAHJFDOXOHXEU-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM O=C([N-]c1cc(OC(F)(F)F)ccc1O)c1nc(Cc2ccccc2)no1 ZINC001192277344 870258310 /nfs/dbraw/zinc/25/83/10/870258310.db2.gz UIHUQQDKFDKGSH-UHFFFAOYSA-N -1 3 379.294 3.517 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c([O-])c1 ZINC001192326507 870290384 /nfs/dbraw/zinc/29/03/84/870290384.db2.gz MSJWKZBVTPGQFL-UHFFFAOYSA-N -1 3 382.504 3.527 20 0 GHADHM CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192326689 870292438 /nfs/dbraw/zinc/29/24/38/870292438.db2.gz PALNQYKNMXMYGG-UHFFFAOYSA-N -1 3 388.508 3.819 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000446751457 870296744 /nfs/dbraw/zinc/29/67/44/870296744.db2.gz DGAZYZDQVOXZJH-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000446815194 870413987 /nfs/dbraw/zinc/41/39/87/870413987.db2.gz RKZPSTDWEYXHQQ-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cnccc1-n1cccn1 ZINC000446815691 870416833 /nfs/dbraw/zinc/41/68/33/870416833.db2.gz XWQNPMGXSUCETG-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000121684847 870574108 /nfs/dbraw/zinc/57/41/08/870574108.db2.gz VVKMAROQVRHIOU-UHFFFAOYSA-N -1 3 386.517 3.808 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Cl)nc3Cl)CCC2)n1 ZINC000746400336 870612057 /nfs/dbraw/zinc/61/20/57/870612057.db2.gz OAVFBIQNIVKACK-UHFFFAOYSA-N -1 3 378.306 3.511 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(Cl)cc1Cl)c1cnccc1Cl ZINC001192912314 870766899 /nfs/dbraw/zinc/76/68/99/870766899.db2.gz BJEAPKPVUSJIHF-UHFFFAOYSA-N -1 3 379.696 3.953 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2ccc(OC)cc2)cc1 ZINC001193052599 870876423 /nfs/dbraw/zinc/87/64/23/870876423.db2.gz WITGEBAVISFEKW-UHFFFAOYSA-N -1 3 393.461 3.571 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2Br)o1)c1ccc([O-])cc1 ZINC000003507780 870901479 /nfs/dbraw/zinc/90/14/79/870901479.db2.gz CDNDIVPHQNTUTI-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCC2(C=Cc3ccccc32)CC1 ZINC001193145270 870918646 /nfs/dbraw/zinc/91/86/46/870918646.db2.gz XHQIBTQYYNXYOM-UHFFFAOYSA-N -1 3 385.261 3.751 20 0 GHADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)c1cccc2c1OCCO2 ZINC000538948518 870955887 /nfs/dbraw/zinc/95/58/87/870955887.db2.gz BTGZUJDBXCOTAH-UHFFFAOYSA-N -1 3 378.409 3.747 20 0 GHADHM O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)c1cccc(OCCO)c1[O-] ZINC001193321242 871020828 /nfs/dbraw/zinc/02/08/28/871020828.db2.gz CVXHSZRBDIILPE-UHFFFAOYSA-N -1 3 381.350 3.610 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C2 ZINC001168939360 871024899 /nfs/dbraw/zinc/02/48/99/871024899.db2.gz PJWTYWBQJYQUKD-UHFFFAOYSA-N -1 3 387.483 3.825 20 0 GHADHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000509635655 871048559 /nfs/dbraw/zinc/04/85/59/871048559.db2.gz RRPGQJFJTBDTGX-UHFFFAOYSA-N -1 3 392.830 3.973 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001193440091 871088390 /nfs/dbraw/zinc/08/83/90/871088390.db2.gz LDUFWBLZMJEWGF-SECBINFHSA-N -1 3 384.358 3.521 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001193440091 871088403 /nfs/dbraw/zinc/08/84/03/871088403.db2.gz LDUFWBLZMJEWGF-SECBINFHSA-N -1 3 384.358 3.521 20 0 GHADHM C[C@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001193453745 871095395 /nfs/dbraw/zinc/09/53/95/871095395.db2.gz MUHBAKLKISYZMS-LBPRGKRZSA-N -1 3 381.432 3.966 20 0 GHADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000181518361 871129171 /nfs/dbraw/zinc/12/91/71/871129171.db2.gz ISKLHQDEBMVVRZ-OAHLLOKOSA-N -1 3 379.247 3.807 20 0 GHADHM COc1ccnc(C(=O)N(C[C@@H](O)c2ccc3ccccc3c2)C(C)C)c1[O-] ZINC001193529974 871162543 /nfs/dbraw/zinc/16/25/43/871162543.db2.gz WYLCEVZKWHPDQM-GOSISDBHSA-N -1 3 380.444 3.533 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1c[nH]c2cc(F)ccc21 ZINC000618044050 871185895 /nfs/dbraw/zinc/18/58/95/871185895.db2.gz ARMHOZKVKWIIJM-UHFFFAOYSA-N -1 3 396.159 3.870 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1OC ZINC000447262973 871280901 /nfs/dbraw/zinc/28/09/01/871280901.db2.gz GURDNGHIBFNMKM-UHFFFAOYSA-N -1 3 377.393 3.904 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1Oc1ccncc1 ZINC000447270689 871294572 /nfs/dbraw/zinc/29/45/72/871294572.db2.gz MDYPOFFZVGGOPK-UHFFFAOYSA-N -1 3 384.413 3.712 20 0 GHADHM C[C@H](CC1CCC1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001169249841 871347463 /nfs/dbraw/zinc/34/74/63/871347463.db2.gz FAONMPHGLLAWCG-CQSZACIVSA-N -1 3 390.480 3.935 20 0 GHADHM CNC(=O)c1cccc(Oc2ccc(NC(=O)c3c(C)cc(O)cc3[O-])cc2)c1 ZINC001193937280 871380692 /nfs/dbraw/zinc/38/06/92/871380692.db2.gz DUMGDZUTYKFMDR-UHFFFAOYSA-N -1 3 392.411 3.810 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1cc2cnccc2o1 ZINC001194028215 871441439 /nfs/dbraw/zinc/44/14/39/871441439.db2.gz NGKCHKOMZPBGET-SECBINFHSA-N -1 3 399.241 3.769 20 0 GHADHM CCc1cccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1[O-] ZINC000540515465 871464515 /nfs/dbraw/zinc/46/45/15/871464515.db2.gz KBVUTQVBBFJQNK-UHFFFAOYSA-N -1 3 375.472 3.592 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cccnc3Br)cc2s1 ZINC000794025726 882535028 /nfs/dbraw/zinc/53/50/28/882535028.db2.gz HZMLIIOREPOSNO-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194431930 871713850 /nfs/dbraw/zinc/71/38/50/871713850.db2.gz VQVZKLYQVGHENI-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525917041 871731516 /nfs/dbraw/zinc/73/15/16/871731516.db2.gz QYEIQEAZLNOCBQ-UHFFFAOYSA-N -1 3 397.427 3.604 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H](c1ccccn1)C1CCC1 ZINC000640302089 882542085 /nfs/dbraw/zinc/54/20/85/882542085.db2.gz ISKFJIHHISHNAC-ZDUSSCGKSA-N -1 3 387.793 3.579 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000182081394 871812796 /nfs/dbraw/zinc/81/27/96/871812796.db2.gz PVMPPZGFQUGXIS-GFCCVEGCSA-N -1 3 398.394 3.753 20 0 GHADHM CN(CC[C@H]1CCCO1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000525971769 871824442 /nfs/dbraw/zinc/82/44/42/871824442.db2.gz JXYLNTVFFKXKMI-OAHLLOKOSA-N -1 3 387.480 3.792 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(F)cccc1C(=O)C(F)(F)F ZINC001194643517 871848740 /nfs/dbraw/zinc/84/87/40/871848740.db2.gz XSVFHYDLGQGLMU-UHFFFAOYSA-N -1 3 375.343 3.988 20 0 GHADHM CC(C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCC1 ZINC000103371383 871853358 /nfs/dbraw/zinc/85/33/58/871853358.db2.gz QPSRVJWIKLWORN-UHFFFAOYSA-N -1 3 384.517 3.696 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000766852445 871927679 /nfs/dbraw/zinc/92/76/79/871927679.db2.gz ZHSWSEICACRVPJ-NXEZZACHSA-N -1 3 395.834 3.563 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)c(C)c1C ZINC001194838426 871982843 /nfs/dbraw/zinc/98/28/43/871982843.db2.gz KEGGXPQSMHWTKB-UHFFFAOYSA-N -1 3 389.521 3.807 20 0 GHADHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001194851026 871986144 /nfs/dbraw/zinc/98/61/44/871986144.db2.gz QNHYAUQIEDUWLG-KRWDZBQOSA-N -1 3 383.872 3.865 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)C(C)(C)C ZINC001194925682 872034791 /nfs/dbraw/zinc/03/47/91/872034791.db2.gz NZTXJEHJTGRTGL-VIFPVBQESA-N -1 3 382.295 3.557 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(C(C)C)s3)c2)[n-]1 ZINC000447677252 872085434 /nfs/dbraw/zinc/08/54/34/872085434.db2.gz FKWDCOPKBJALNJ-UHFFFAOYSA-N -1 3 398.488 3.763 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(C(C)C)s3)c2)n[n-]1 ZINC000447677252 872085453 /nfs/dbraw/zinc/08/54/53/872085453.db2.gz FKWDCOPKBJALNJ-UHFFFAOYSA-N -1 3 398.488 3.763 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1cccc(-n2cccn2)c1 ZINC000767086664 872254932 /nfs/dbraw/zinc/25/49/32/872254932.db2.gz IFACDAZDTWSVBO-NSHDSACASA-N -1 3 397.287 3.614 20 0 GHADHM COc1ccccc1OC(=O)Nc1cc(I)ccc1[O-] ZINC001195266917 872293572 /nfs/dbraw/zinc/29/35/72/872293572.db2.gz WSRWLQVKGWPABM-UHFFFAOYSA-N -1 3 385.157 3.616 20 0 GHADHM COC[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC001195271175 872295100 /nfs/dbraw/zinc/29/51/00/872295100.db2.gz SRVAGWGCNBOIRU-ZDUSSCGKSA-N -1 3 388.942 3.660 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(Br)n1 ZINC001195278875 872304301 /nfs/dbraw/zinc/30/43/01/872304301.db2.gz UUYCTZWUKUCSKI-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cc(O)cnc1Cl ZINC001195297790 872320877 /nfs/dbraw/zinc/32/08/77/872320877.db2.gz HIEVKESITSBTFC-UHFFFAOYSA-N -1 3 381.171 3.879 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)c1ccc(F)c(C)c1 ZINC000767249296 872359131 /nfs/dbraw/zinc/35/91/31/872359131.db2.gz LWWUIHSKHDWDTI-IBSYWUHOSA-N -1 3 397.855 3.592 20 0 GHADHM COc1c2ccccc2[nH]c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000552388522 872588632 /nfs/dbraw/zinc/58/86/32/872588632.db2.gz FWJVHSNOSJDGMH-UHFFFAOYSA-N -1 3 375.222 3.575 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2cnco2)cc1)c1ccc(Br)s1 ZINC001195706297 872596856 /nfs/dbraw/zinc/59/68/56/872596856.db2.gz PGSSQLHNKOTOPB-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)c(C)c1C ZINC000463785641 872602122 /nfs/dbraw/zinc/60/21/22/872602122.db2.gz FLSXKOHUJIQUMO-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM O=S(=O)([N-]c1ccc2cc(Br)cnc2c1)c1ccc(O)cc1 ZINC001195755326 872610805 /nfs/dbraw/zinc/61/08/05/872610805.db2.gz JXPLBXRGVCGABL-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM O=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC001195757742 872614473 /nfs/dbraw/zinc/61/44/73/872614473.db2.gz KUSZYIXGAYDXSS-UHFFFAOYSA-N -1 3 399.312 3.908 20 0 GHADHM CC(C)Oc1ccc(C(=O)[N-]c2nonc2-c2nc3ccccc3[nH]2)c(F)c1 ZINC001195773715 872633288 /nfs/dbraw/zinc/63/32/88/872633288.db2.gz FTAMCWWOAOKCKK-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)[n-]1 ZINC000619448154 872637017 /nfs/dbraw/zinc/63/70/17/872637017.db2.gz FNTKGLOZRPCUPN-UHFFFAOYSA-N -1 3 396.881 3.986 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c[n-]1 ZINC000619448154 872637021 /nfs/dbraw/zinc/63/70/21/872637021.db2.gz FNTKGLOZRPCUPN-UHFFFAOYSA-N -1 3 396.881 3.986 20 0 GHADHM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(Cl)c1)c1ccc(O)cc1 ZINC001195802669 872673872 /nfs/dbraw/zinc/67/38/72/872673872.db2.gz IRXXYQBTKALKCU-UHFFFAOYSA-N -1 3 390.848 3.820 20 0 GHADHM O=S(=O)(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccc([O-])cc1 ZINC001195802669 872673885 /nfs/dbraw/zinc/67/38/85/872673885.db2.gz IRXXYQBTKALKCU-UHFFFAOYSA-N -1 3 390.848 3.820 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCC(F)(F)C2)s1 ZINC001195830441 872700519 /nfs/dbraw/zinc/70/05/19/872700519.db2.gz IPOMZWFSNRRUFQ-VIFPVBQESA-N -1 3 388.299 3.923 20 0 GHADHM COc1ccc(C2(NS(=O)(=O)c3ccc([O-])cc3)CCC(F)(F)CC2)cc1 ZINC001195835246 872703454 /nfs/dbraw/zinc/70/34/54/872703454.db2.gz JZIKAXLWKXTKKK-UHFFFAOYSA-N -1 3 397.443 3.784 20 0 GHADHM COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc(OC)c1[O-] ZINC000478348996 872877269 /nfs/dbraw/zinc/87/72/69/872877269.db2.gz YKNLBEHDSNMJBY-UHFFFAOYSA-N -1 3 398.484 3.814 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056132216 872952980 /nfs/dbraw/zinc/95/29/80/872952980.db2.gz SJBTXANXYGLFOX-FQEVSTJZSA-N -1 3 386.455 3.782 20 0 GHADHM CCc1cc2c(CN3CCC([C@@](C)(O)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000767908969 872954082 /nfs/dbraw/zinc/95/40/82/872954082.db2.gz WCGBBMYYDNFIDT-LJQANCHMSA-N -1 3 399.409 3.586 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1Cl)c1ccc(Cl)cn1 ZINC001196252725 872972041 /nfs/dbraw/zinc/97/20/41/872972041.db2.gz GFKCJQKBKKQHHH-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=O)c1cc([O-])cc(I)c1 ZINC001196398330 873075293 /nfs/dbraw/zinc/07/52/93/873075293.db2.gz CMYMAHXXQUZADK-NSHDSACASA-N -1 3 393.224 3.756 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccncc3)CCC(F)(F)CC2)c(F)c1 ZINC001196407260 873095327 /nfs/dbraw/zinc/09/53/27/873095327.db2.gz MCHPLDDJZHXREA-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM CC(=O)c1c(F)cccc1NC(=O)c1cc([O-])cc(I)c1 ZINC001196417099 873101212 /nfs/dbraw/zinc/10/12/12/873101212.db2.gz GQMHLNISHUHISH-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196431660 873111881 /nfs/dbraw/zinc/11/18/81/873111881.db2.gz HGGVOSXAGZVSCA-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196431660 873111887 /nfs/dbraw/zinc/11/18/87/873111887.db2.gz HGGVOSXAGZVSCA-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000615346161 873227518 /nfs/dbraw/zinc/22/75/18/873227518.db2.gz SYLHKONEKGRUKJ-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000615346161 873227527 /nfs/dbraw/zinc/22/75/27/873227527.db2.gz SYLHKONEKGRUKJ-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3ccc(Br)cc3)c12 ZINC001196621425 873261404 /nfs/dbraw/zinc/26/14/04/873261404.db2.gz VJAGLDJSAHEOCT-UHFFFAOYSA-N -1 3 391.250 3.612 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(N3CCCC3)n2)c([O-])c1 ZINC001196672914 873303295 /nfs/dbraw/zinc/30/32/95/873303295.db2.gz RJPHBXMHMYYFAI-UHFFFAOYSA-N -1 3 383.448 3.595 20 0 GHADHM COC(=O)c1ccc(NC(=S)Nc2ccc([O-])c(Br)c2)cc1 ZINC001196761109 873333310 /nfs/dbraw/zinc/33/33/10/873333310.db2.gz WZKSYPJYOGWYKN-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)c1 ZINC001196783944 873357518 /nfs/dbraw/zinc/35/75/18/873357518.db2.gz CUIKBGCJXCIQGP-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM COc1cc([N-]C(=O)c2c(Br)ccc(Br)c2F)no1 ZINC001196796765 873367041 /nfs/dbraw/zinc/36/70/41/873367041.db2.gz DOWCGSHXCIPMLA-UHFFFAOYSA-N -1 3 393.994 3.600 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cncc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC001196812392 873408519 /nfs/dbraw/zinc/40/85/19/873408519.db2.gz WVEHPHUVFQRQTH-UHFFFAOYSA-N -1 3 389.333 3.678 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1cscn1 ZINC001196828255 873420783 /nfs/dbraw/zinc/42/07/83/873420783.db2.gz CHLDMDANHJGVBO-ZCFIWIBFSA-N -1 3 399.694 3.738 20 0 GHADHM CCOC(=O)CCc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196885522 873428355 /nfs/dbraw/zinc/42/83/55/873428355.db2.gz JPCCVKYOAUNNDV-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3(C)C)c(C)c1 ZINC001196888642 873429665 /nfs/dbraw/zinc/42/96/65/873429665.db2.gz SRCOKJMMSARSEE-UHFFFAOYSA-N -1 3 388.489 3.733 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc2cnccc2c1Cl ZINC001197040548 873534752 /nfs/dbraw/zinc/53/47/52/873534752.db2.gz ZEXKKQRKMXMLLL-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM CCN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001197096754 873566350 /nfs/dbraw/zinc/56/63/50/873566350.db2.gz KKQGXYJNCJFELE-LJQANCHMSA-N -1 3 383.517 3.678 20 0 GHADHM O=C([N-]CC[C@H]1CN(C[C@H](O)c2cccc(F)c2)c2ccccc21)C(F)(F)F ZINC001197060171 873568645 /nfs/dbraw/zinc/56/86/45/873568645.db2.gz QBNPEVGPKLAZQZ-KSSFIOAISA-N -1 3 396.384 3.532 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1[O-] ZINC000858021389 882739924 /nfs/dbraw/zinc/73/99/24/882739924.db2.gz AUMLJLCNANPCEI-GOSISDBHSA-N -1 3 380.444 3.551 20 0 GHADHM COc1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c(OC)c1OC ZINC000768883622 873644631 /nfs/dbraw/zinc/64/46/31/873644631.db2.gz ZPUNMGMCVWYFLP-KTKRTIGZSA-N -1 3 383.853 3.778 20 0 GHADHM O=C(c1c(F)cccc1Sc1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000464395473 873776441 /nfs/dbraw/zinc/77/64/41/873776441.db2.gz FYCPYRUXQKDADA-UHFFFAOYSA-N -1 3 381.432 3.671 20 0 GHADHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1cccc(Cl)c1Br)C2 ZINC001197468525 873823226 /nfs/dbraw/zinc/82/32/26/873823226.db2.gz MDAIQHJPCLSNGB-UHFFFAOYSA-N -1 3 380.673 3.991 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197529255 873858304 /nfs/dbraw/zinc/85/83/04/873858304.db2.gz ITHWOMFAJGCDKD-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197673071 873961920 /nfs/dbraw/zinc/96/19/20/873961920.db2.gz PMBXPGJDWGLOIX-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nc(Cl)ccc1N ZINC001197705322 873992275 /nfs/dbraw/zinc/99/22/75/873992275.db2.gz GNWHYPXAYUMIPK-UHFFFAOYSA-N -1 3 383.835 3.878 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)c1cc(F)cc(F)c1 ZINC001197774123 874038499 /nfs/dbraw/zinc/03/84/99/874038499.db2.gz MCTUEALMNYYBSO-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cnc(Cc2ccccc2F)s1 ZINC000464644795 874222400 /nfs/dbraw/zinc/22/24/00/874222400.db2.gz STPVDQZBDBRWNW-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM CCSc1cccc(Br)c1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000464709330 874339222 /nfs/dbraw/zinc/33/92/22/874339222.db2.gz JABXGASJIAMRDO-UHFFFAOYSA-N -1 3 385.308 3.974 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2COc2ccc(Br)cc2)n1 ZINC001198270675 874340533 /nfs/dbraw/zinc/34/05/33/874340533.db2.gz NPTQMGWVCGTPRY-HNNXBMFYSA-N -1 3 392.297 3.551 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000769922219 874343847 /nfs/dbraw/zinc/34/38/47/874343847.db2.gz KMLOLEJTAFBPNS-UHFFFAOYSA-N -1 3 382.295 3.556 20 0 GHADHM COc1ccc(CC(=O)[N-]O[C@@H](C)CCSc2ccccc2)cc1OC ZINC000769879822 874349303 /nfs/dbraw/zinc/34/93/03/874349303.db2.gz XRUSGIIDLXIKPC-HNNXBMFYSA-N -1 3 375.490 3.865 20 0 GHADHM Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1C(N)=O ZINC000769880582 874349574 /nfs/dbraw/zinc/34/95/74/874349574.db2.gz GFVHEDDXIHBCQS-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1F ZINC000769889840 874353863 /nfs/dbraw/zinc/35/38/63/874353863.db2.gz KHAJGLDFJFUTAZ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM C[C@H](CCSc1ccccc1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000769966146 874369009 /nfs/dbraw/zinc/36/90/09/874369009.db2.gz LAXCCTPGFMPMHG-CQSZACIVSA-N -1 3 379.503 3.786 20 0 GHADHM Cc1nn(Cc2cccc(C)c2)c(C)c1C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001198515504 874475534 /nfs/dbraw/zinc/47/55/34/874475534.db2.gz XJGYJPDKJUNSIM-UHFFFAOYSA-N -1 3 375.432 3.691 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000669917619 874477665 /nfs/dbraw/zinc/47/76/65/874477665.db2.gz ZVNKYKIPGRYSTB-GOSISDBHSA-N -1 3 376.859 3.681 20 0 GHADHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528378036 874478714 /nfs/dbraw/zinc/47/87/14/874478714.db2.gz HAYMYDOZYUJZEM-YVEFUNNKSA-N -1 3 376.250 3.757 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528378028 874478906 /nfs/dbraw/zinc/47/89/06/874478906.db2.gz HAYMYDOZYUJZEM-PXAZEXFGSA-N -1 3 376.250 3.757 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc2ccccc2c1 ZINC001198710573 874600588 /nfs/dbraw/zinc/60/05/88/874600588.db2.gz WZHDFXGYLGLGBQ-LBPRGKRZSA-N -1 3 376.865 3.936 20 0 GHADHM Cn1c(COC(=O)c2cc(F)cc(Cl)c2[O-])nnc1-c1ccc(Cl)cc1 ZINC000770392969 874643889 /nfs/dbraw/zinc/64/38/89/874643889.db2.gz TVUVJNMLYDSCDU-UHFFFAOYSA-N -1 3 396.205 3.991 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)c1ccco1 ZINC000542050065 874855262 /nfs/dbraw/zinc/85/52/62/874855262.db2.gz SBETWPGGRLURDJ-INIZCTEOSA-N -1 3 390.461 3.627 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC001211904446 875086417 /nfs/dbraw/zinc/08/64/17/875086417.db2.gz ZVZTZWJNCOJIGQ-UHFFFAOYSA-N -1 3 378.441 3.938 20 0 GHADHM Cc1c(Cl)onc1C(=O)[N-]c1nccc(Cl)c1I ZINC001199669926 875113886 /nfs/dbraw/zinc/11/38/86/875113886.db2.gz JIPWSWYORCAYPW-UHFFFAOYSA-N -1 3 397.987 3.542 20 0 GHADHM Cn1cc(Br)c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)n1 ZINC000550950861 882897330 /nfs/dbraw/zinc/89/73/30/882897330.db2.gz PRFPOCSIUJPYLT-UHFFFAOYSA-N -1 3 394.216 3.931 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H]4CCC[C@@H]4C3)c2)cc1 ZINC000465100352 875120771 /nfs/dbraw/zinc/12/07/71/875120771.db2.gz BSABBIMXYXTMFH-QZTJIDSGSA-N -1 3 398.528 3.976 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000303183343 875201674 /nfs/dbraw/zinc/20/16/74/875201674.db2.gz KRJDJGKKCKKFTM-OAHLLOKOSA-N -1 3 390.933 3.902 20 0 GHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000542242359 875235633 /nfs/dbraw/zinc/23/56/33/875235633.db2.gz WPTLZFIPPRGCNF-GFCCVEGCSA-N -1 3 392.304 3.821 20 0 GHADHM CC(C)(C)c1nc(CCNC(=O)c2cc([O-])cc(Br)c2)cs1 ZINC000528935002 875309691 /nfs/dbraw/zinc/30/96/91/875309691.db2.gz QZNVAQJTOYHXNW-UHFFFAOYSA-N -1 3 383.311 3.881 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)ccc2c1OCCO2 ZINC001201628239 875803353 /nfs/dbraw/zinc/80/33/53/875803353.db2.gz VFCQLQGBPZFAOW-UHFFFAOYSA-N -1 3 398.440 3.754 20 0 GHADHM Cc1cc([N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(F)cc1Cl ZINC001201696823 875824578 /nfs/dbraw/zinc/82/45/78/875824578.db2.gz WPVASAJGUHBCBX-NSHDSACASA-N -1 3 392.880 3.539 20 0 GHADHM CCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H](O)c1ccccc1 ZINC000529225121 875857969 /nfs/dbraw/zinc/85/79/69/875857969.db2.gz XFWCTNAJTRUZBO-SJORKVTESA-N -1 3 378.266 3.787 20 0 GHADHM CCc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2Br)cc1 ZINC001201788292 875883978 /nfs/dbraw/zinc/88/39/78/875883978.db2.gz HOOYVUPLWAIJKK-UHFFFAOYSA-N -1 3 386.286 3.672 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000179147088 882974896 /nfs/dbraw/zinc/97/48/96/882974896.db2.gz DYGRIORVRXNQGS-LBPRGKRZSA-N -1 3 375.375 3.553 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1ncccc1OCc1ccccc1 ZINC001201898166 875913020 /nfs/dbraw/zinc/91/30/20/875913020.db2.gz LINUUGQBEZELSV-UHFFFAOYSA-N -1 3 394.496 3.714 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])Nc1ccc(F)cc1F ZINC001202023530 875966935 /nfs/dbraw/zinc/96/69/35/875966935.db2.gz FWPQLNLWWMNSSI-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1C(=O)NC(C)C ZINC000172893731 875995619 /nfs/dbraw/zinc/99/56/19/875995619.db2.gz IHGRWXKGYQOAKC-UHFFFAOYSA-N -1 3 378.469 3.690 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC2(CCCC2)c2c1cccc2F ZINC000776254259 876036951 /nfs/dbraw/zinc/03/69/51/876036951.db2.gz ORFDPPXCPSJACF-UHFFFAOYSA-N -1 3 383.349 3.504 20 0 GHADHM COc1ccc(Cl)cc1[C@H](O)CNCc1cccc([O-])c1Br ZINC001202396282 876199180 /nfs/dbraw/zinc/19/91/80/876199180.db2.gz AIVOBSXJPPTSOA-CQSZACIVSA-N -1 3 386.673 3.640 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000030552501 876269711 /nfs/dbraw/zinc/26/97/11/876269711.db2.gz LECMVFVZINVTDA-UHFFFAOYSA-N -1 3 382.851 3.724 20 0 GHADHM C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000107067283 876300950 /nfs/dbraw/zinc/30/09/50/876300950.db2.gz PSFAXWJIHUFHJC-HNEYUBDGSA-N -1 3 375.453 3.772 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000107532381 876368445 /nfs/dbraw/zinc/36/84/45/876368445.db2.gz LJJIPTMKERDNES-UHFFFAOYSA-N -1 3 393.896 3.699 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccccc1 ZINC000537656027 883022323 /nfs/dbraw/zinc/02/23/23/883022323.db2.gz AJRDUYXLFGXIQB-CQSZACIVSA-N -1 3 390.288 3.668 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786142002 876472254 /nfs/dbraw/zinc/47/22/54/876472254.db2.gz RPROUNVYXDDYPC-GFCCVEGCSA-N -1 3 383.425 3.994 20 0 GHADHM CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786130217 876496837 /nfs/dbraw/zinc/49/68/37/876496837.db2.gz BRAIXBVNPDEBNS-UHFFFAOYSA-N -1 3 383.425 3.995 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000786132666 876499715 /nfs/dbraw/zinc/49/97/15/876499715.db2.gz WODWNVQJPOTQCW-NSHDSACASA-N -1 3 395.436 3.554 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000786135598 876500748 /nfs/dbraw/zinc/50/07/48/876500748.db2.gz CYACRHUJDKKPSP-GFCCVEGCSA-N -1 3 384.457 3.857 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1CC=CC1 ZINC000529714831 876575491 /nfs/dbraw/zinc/57/54/91/876575491.db2.gz PYFNDPQQHXNWQU-UHFFFAOYSA-N -1 3 388.464 3.631 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(C4CCC4)cnn3C)nc(=O)c2c1C ZINC000849990277 876580426 /nfs/dbraw/zinc/58/04/26/876580426.db2.gz QDPFXYLPGKNHKL-JTQLQIEISA-N -1 3 386.477 3.933 20 0 GHADHM COc1cccc([C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2(C)C)c1 ZINC000529726889 876580919 /nfs/dbraw/zinc/58/09/19/876580919.db2.gz HPDUQAGWTPCCMX-SFHVURJKSA-N -1 3 376.456 3.803 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)o1 ZINC000850013181 876597848 /nfs/dbraw/zinc/59/78/48/876597848.db2.gz YNGHHLCEKNDIJZ-VIFPVBQESA-N -1 3 390.417 3.620 20 0 GHADHM Cc1ccc(-c2cc(C(=O)[N-]c3cccc(Cl)c3S(C)(=O)=O)on2)cc1 ZINC000173794296 876643314 /nfs/dbraw/zinc/64/33/14/876643314.db2.gz DDNJIKWRKWJGNE-UHFFFAOYSA-N -1 3 390.848 3.959 20 0 GHADHM O=C(NCC[C@H]1CC=CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000529866198 876767020 /nfs/dbraw/zinc/76/70/20/876767020.db2.gz GCWJTBFKSQIDRW-LBPRGKRZSA-N -1 3 375.266 3.767 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000193459690 876786424 /nfs/dbraw/zinc/78/64/24/876786424.db2.gz QMSMSHNRUMCHLP-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000193459984 876852695 /nfs/dbraw/zinc/85/26/95/876852695.db2.gz MBUXKYIKIVGFLA-UHFFFAOYSA-N -1 3 399.834 3.867 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1ccc(Br)cc1F ZINC000193031766 883075630 /nfs/dbraw/zinc/07/56/30/883075630.db2.gz VZVSTPLPVCSWBL-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CC1(C)CCc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c2O1 ZINC000530044323 877025328 /nfs/dbraw/zinc/02/53/28/877025328.db2.gz ZZQHSLMFNNOSKW-SFHVURJKSA-N -1 3 394.471 3.739 20 0 GHADHM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000786930119 877062302 /nfs/dbraw/zinc/06/23/02/877062302.db2.gz MXALLZILZLPNHS-NRFANRHFSA-N -1 3 394.487 3.664 20 0 GHADHM Cc1cc(C)c(CN2CCC(c3n[n-]c(=O)o3)CC2)c(OCc2ccccc2)n1 ZINC000450928925 877089178 /nfs/dbraw/zinc/08/91/78/877089178.db2.gz STENQNGBJMDMTC-UHFFFAOYSA-N -1 3 394.475 3.746 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3cc(F)cc(OC)c3)nc2)n1 ZINC000450948658 877109954 /nfs/dbraw/zinc/10/99/54/877109954.db2.gz HCHMDHQWDATDME-CYBMUJFWSA-N -1 3 382.439 3.997 20 0 GHADHM O=S(=O)(CCC1CCCCC1)[N-]c1ccccc1OCCn1ccnc1 ZINC000450965317 877138223 /nfs/dbraw/zinc/13/82/23/877138223.db2.gz CXHGSEFHKBAVPI-UHFFFAOYSA-N -1 3 377.510 3.674 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1)c1ccc(F)cc1 ZINC000530133486 877181233 /nfs/dbraw/zinc/18/12/33/877181233.db2.gz FQMNVLVBWJCLEI-GOSISDBHSA-N -1 3 394.468 3.550 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000787132228 877181402 /nfs/dbraw/zinc/18/14/02/877181402.db2.gz HOQWWOYQNNSFTG-NSPYISDASA-N -1 3 383.822 3.885 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(C)C ZINC000530134768 877182973 /nfs/dbraw/zinc/18/29/73/877182973.db2.gz UOWRAEXHEROFDW-UHFFFAOYSA-N -1 3 385.432 3.914 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530164601 877239365 /nfs/dbraw/zinc/23/93/65/877239365.db2.gz RLPNAYASQGTKTF-LJQANCHMSA-N -1 3 387.455 3.947 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC2CCN(C)CC2)c(C)o1 ZINC000451115370 877380067 /nfs/dbraw/zinc/38/00/67/877380067.db2.gz OSSXLVXXUOTDMG-UHFFFAOYSA-N -1 3 398.912 3.824 20 0 GHADHM Cc1cc(C(=O)N[N-]C(=O)c2cnc3ccccc3c2C(F)(F)F)c(C)o1 ZINC000030884547 877402233 /nfs/dbraw/zinc/40/22/33/877402233.db2.gz KWCGZXFQQFAFJQ-UHFFFAOYSA-N -1 3 377.322 3.538 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000551565051 877445601 /nfs/dbraw/zinc/44/56/01/877445601.db2.gz POOJUURVUTXAEJ-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CCOc1cccc2[nH]cc(Cc3noc(-c4cc5c(cc4[O-])OCO5)n3)c21 ZINC000445764627 877552329 /nfs/dbraw/zinc/55/23/29/877552329.db2.gz CBTSLHHFVGILGP-UHFFFAOYSA-N -1 3 379.372 3.642 20 0 GHADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1cccc(Cl)c1Cl ZINC000615292248 877606899 /nfs/dbraw/zinc/60/68/99/877606899.db2.gz HNQVLHKCLVUKLH-UHFFFAOYSA-N -1 3 388.316 3.921 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000530364292 877633904 /nfs/dbraw/zinc/63/39/04/877633904.db2.gz STPJHSLNRVZHOL-JSGCOSHPSA-N -1 3 392.249 3.914 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000530364293 877634168 /nfs/dbraw/zinc/63/41/68/877634168.db2.gz STPJHSLNRVZHOL-OCCSQVGLSA-N -1 3 392.249 3.914 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@H]1CCCN(c2ccccc2F)C1=O ZINC000787842501 877659188 /nfs/dbraw/zinc/65/91/88/877659188.db2.gz FMNSXVJBOLSZRS-IBGZPJMESA-N -1 3 389.398 3.732 20 0 GHADHM COc1ccc(-c2nc(COC(=O)CCCc3ccc([O-])c(F)c3)no2)cc1 ZINC000787844721 877663517 /nfs/dbraw/zinc/66/35/17/877663517.db2.gz LXLCNBCTQSQWFV-UHFFFAOYSA-N -1 3 386.379 3.656 20 0 GHADHM O=C(NCc1nc(-c2ccccc2F)cs1)c1nnc2ccccc2c1[O-] ZINC000787845059 877664085 /nfs/dbraw/zinc/66/40/85/877664085.db2.gz ZVABYOZZIUCCSQ-UHFFFAOYSA-N -1 3 380.404 3.528 20 0 GHADHM COc1ccc(C(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c(OC)c1 ZINC000787845702 877665656 /nfs/dbraw/zinc/66/56/56/877665656.db2.gz QSYRKMYHBJSXMW-CYBMUJFWSA-N -1 3 390.407 3.686 20 0 GHADHM C[C@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@@H]1OCCc2sccc21 ZINC000551823742 877863215 /nfs/dbraw/zinc/86/32/15/877863215.db2.gz UQMWABRTSTZFFA-YPMLDQLKSA-N -1 3 389.427 3.727 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000477590693 877902459 /nfs/dbraw/zinc/90/24/59/877902459.db2.gz LFPCYWPVLTYPGZ-UHFFFAOYSA-N -1 3 391.296 3.600 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3oc(CC4CC4)nc3C)c2)n1 ZINC000530505132 877957284 /nfs/dbraw/zinc/95/72/84/877957284.db2.gz MWXGXWMBIJEWIM-UHFFFAOYSA-N -1 3 378.432 3.913 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)CC(F)(F)F ZINC000851904223 877969110 /nfs/dbraw/zinc/96/91/10/877969110.db2.gz SRBWKJNOIRKLHD-UHFFFAOYSA-N -1 3 383.819 3.726 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1C(C)C ZINC000788490997 878099298 /nfs/dbraw/zinc/09/92/98/878099298.db2.gz CENBZLAXVUSSNY-UHFFFAOYSA-N -1 3 377.462 3.965 20 0 GHADHM Cn1ccc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)c1 ZINC000477749578 878132444 /nfs/dbraw/zinc/13/24/44/878132444.db2.gz YWTJNVSCRIBMCG-UHFFFAOYSA-N -1 3 379.645 3.505 20 0 GHADHM O=C(Nc1ccc(Cl)cc1-c1cccc2ccccc21)NN1CC(=O)[N-]C1=O ZINC000788697767 878263857 /nfs/dbraw/zinc/26/38/57/878263857.db2.gz VRHZOWVBOSBZRU-UHFFFAOYSA-N -1 3 394.818 3.749 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)[C@@H](C)c3ccc(C)cc3)c2)n1 ZINC000493071359 878287804 /nfs/dbraw/zinc/28/78/04/878287804.db2.gz MIRWKNUZIOTNBB-BTYIYWSLSA-N -1 3 391.471 3.823 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)N[C@@H]2CCCC23CCCCC3)C1)C(F)(F)F ZINC000852428988 878318155 /nfs/dbraw/zinc/31/81/55/878318155.db2.gz XKSAXHHVBGIFOX-HUUCEWRRSA-N -1 3 389.462 3.590 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Cl)s1 ZINC000616021683 878396072 /nfs/dbraw/zinc/39/60/72/878396072.db2.gz QNVCKXOLGIXGOW-MRXNPFEDSA-N -1 3 385.894 3.602 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2c(F)cccc2Cl)sc1Cl ZINC000788897522 878432054 /nfs/dbraw/zinc/43/20/54/878432054.db2.gz GMKSRQRJUVSFEX-AMIZOPFISA-N -1 3 398.308 3.903 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cnc(F)c(Br)c1 ZINC001127584361 878456693 /nfs/dbraw/zinc/45/66/93/878456693.db2.gz IOLSDJLAILYLFO-UHFFFAOYSA-N -1 3 385.243 3.816 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000530770039 878461422 /nfs/dbraw/zinc/46/14/22/878461422.db2.gz TXJPCGBUJIAMPR-INIZCTEOSA-N -1 3 378.519 3.856 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c1 ZINC000616044958 878462162 /nfs/dbraw/zinc/46/21/62/878462162.db2.gz XEHQTRCUUYRNAF-UHFFFAOYSA-N -1 3 394.500 3.919 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2cccnc2)cc1 ZINC000177049753 878537649 /nfs/dbraw/zinc/53/76/49/878537649.db2.gz PBDBQCOQWKRWGN-CYBMUJFWSA-N -1 3 386.411 3.515 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccccc1Br ZINC000789018856 878543508 /nfs/dbraw/zinc/54/35/08/878543508.db2.gz MOCDWAFHYZVCJF-JTQLQIEISA-N -1 3 389.205 3.860 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccccc1Br ZINC000789018856 878543524 /nfs/dbraw/zinc/54/35/24/878543524.db2.gz MOCDWAFHYZVCJF-JTQLQIEISA-N -1 3 389.205 3.860 20 0 GHADHM Cc1cc(C)c(N2CC[C@@H](OC(=O)c3cc(-c4ccco4)[n-]n3)C2=O)c(C)c1 ZINC000789019818 878545275 /nfs/dbraw/zinc/54/52/75/878545275.db2.gz WXJSAKIKOFVISC-GOSISDBHSA-N -1 3 379.416 3.557 20 0 GHADHM Cc1cc(C)c(N2CC[C@@H](OC(=O)c3cc(-c4ccco4)n[n-]3)C2=O)c(C)c1 ZINC000789019818 878545295 /nfs/dbraw/zinc/54/52/95/878545295.db2.gz WXJSAKIKOFVISC-GOSISDBHSA-N -1 3 379.416 3.557 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000538013072 878713358 /nfs/dbraw/zinc/71/33/58/878713358.db2.gz MKWQJLRSTJEANK-CYBMUJFWSA-N -1 3 396.242 3.938 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)c(OC)c2)s1 ZINC000460949204 878843699 /nfs/dbraw/zinc/84/36/99/878843699.db2.gz MDSPYQUGEYRBCW-GFCCVEGCSA-N -1 3 384.523 3.541 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000460933412 878853686 /nfs/dbraw/zinc/85/36/86/878853686.db2.gz POIQGUSABNVXBP-JTQLQIEISA-N -1 3 394.440 3.686 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3[C@@H](C)C3(F)F)cc2)cc1 ZINC000460997146 878969585 /nfs/dbraw/zinc/96/95/85/878969585.db2.gz SKDYDAKBXKAZGZ-WBMJQRKESA-N -1 3 380.416 3.636 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2c(C)ccnc2Br)c2ccccc2n1C ZINC000789733896 879204635 /nfs/dbraw/zinc/20/46/35/879204635.db2.gz BASQEVCPRMWPOP-UHFFFAOYSA-N -1 3 394.294 3.753 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(=O)c1c(Cl)cccc1Cl ZINC000616920758 879237876 /nfs/dbraw/zinc/23/78/76/879237876.db2.gz SFNGOHIIIHSGJR-UHFFFAOYSA-N -1 3 396.274 3.708 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1nnc2ccccc2c1[O-] ZINC000111579515 879275892 /nfs/dbraw/zinc/27/58/92/879275892.db2.gz IFRSCPWEBOYONE-UHFFFAOYSA-N -1 3 398.394 3.501 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1OC ZINC000617214954 879485412 /nfs/dbraw/zinc/48/54/12/879485412.db2.gz DCQVMHKAQUQQBP-UHFFFAOYSA-N -1 3 376.478 3.833 20 0 GHADHM CSc1c(F)cccc1[N-]C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000617276136 879560077 /nfs/dbraw/zinc/56/00/77/879560077.db2.gz XJWKFHFCSBRGRA-UHFFFAOYSA-N -1 3 389.477 3.826 20 0 GHADHM CCOC(=O)c1cc2ccccc2cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000790343037 879643515 /nfs/dbraw/zinc/64/35/15/879643515.db2.gz UMHHBYOLVOCPTC-UHFFFAOYSA-N -1 3 393.443 3.700 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c(Br)c1 ZINC001212296548 879736027 /nfs/dbraw/zinc/73/60/27/879736027.db2.gz DGCUDVFXRXJIME-UWVGGRQHSA-N -1 3 384.698 3.970 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000790475907 879748296 /nfs/dbraw/zinc/74/82/96/879748296.db2.gz VPTLLVUNXNAENQ-UHFFFAOYSA-N -1 3 386.395 3.828 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000790510977 879782700 /nfs/dbraw/zinc/78/27/00/879782700.db2.gz SARFOPFUBYZZSW-NSHDSACASA-N -1 3 381.341 3.867 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(COc3cccc(F)c3)cc2)s1 ZINC001212301572 879841031 /nfs/dbraw/zinc/84/10/31/879841031.db2.gz AERFGONBDAYXFJ-UHFFFAOYSA-N -1 3 392.477 3.648 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000247048633 879901179 /nfs/dbraw/zinc/90/11/79/879901179.db2.gz TWFIHPZYEQOWSG-QWHZDKJVSA-N -1 3 388.464 3.920 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)nc21 ZINC000494121668 879918164 /nfs/dbraw/zinc/91/81/64/879918164.db2.gz JBUSHPNRPQMLPW-KRWDZBQOSA-N -1 3 381.432 3.844 20 0 GHADHM COC[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000790655149 879919990 /nfs/dbraw/zinc/91/99/90/879919990.db2.gz IVMJEYRAKDOIDP-CQSZACIVSA-N -1 3 381.341 3.571 20 0 GHADHM Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(C)n1CCc1ccccc1 ZINC000263572741 879942120 /nfs/dbraw/zinc/94/21/20/879942120.db2.gz LJHWRWDZBHMWDF-GBXCKJPGSA-N -1 3 394.515 3.717 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)ccc3OC(F)F)nc21 ZINC000494131098 879960661 /nfs/dbraw/zinc/96/06/61/879960661.db2.gz PIBNJTYDPZTIKR-UHFFFAOYSA-N -1 3 395.749 3.857 20 0 GHADHM COc1cccc(Cl)c1CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000790785110 879997797 /nfs/dbraw/zinc/99/77/97/879997797.db2.gz SQVDEIRUGWUQPB-UHFFFAOYSA-N -1 3 384.819 3.968 20 0 GHADHM CN(Cc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1)C(=O)OC(C)(C)C ZINC000791209401 880279466 /nfs/dbraw/zinc/27/94/66/880279466.db2.gz AMMSCZWCQIZJCK-UHFFFAOYSA-N -1 3 399.426 3.716 20 0 GHADHM CC(C)CCc1nnc([N-]C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)s1 ZINC000855189640 880337539 /nfs/dbraw/zinc/33/75/39/880337539.db2.gz JKLVYKTYVSVURP-UHFFFAOYSA-N -1 3 394.497 3.997 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1cnc(C(F)(F)F)nc1 ZINC000855217271 880364769 /nfs/dbraw/zinc/36/47/69/880364769.db2.gz SIWXIPLRNXUMGK-UHFFFAOYSA-N -1 3 389.324 3.691 20 0 GHADHM COC(CCCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1F)OC ZINC000791412402 880394298 /nfs/dbraw/zinc/39/42/98/880394298.db2.gz HYCUVFKACQPTLQ-UHFFFAOYSA-N -1 3 381.897 3.573 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000855552457 880587012 /nfs/dbraw/zinc/58/70/12/880587012.db2.gz OVDKCKFFSICQHU-GOSISDBHSA-N -1 3 392.459 3.563 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000185472550 880589848 /nfs/dbraw/zinc/58/98/48/880589848.db2.gz QBYMZSLIIFWDBR-UHFFFAOYSA-N -1 3 389.381 3.525 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000185472550 880589851 /nfs/dbraw/zinc/58/98/51/880589851.db2.gz QBYMZSLIIFWDBR-UHFFFAOYSA-N -1 3 389.381 3.525 20 0 GHADHM Cc1cc(Br)c2ccccc2c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000531907513 880721594 /nfs/dbraw/zinc/72/15/94/880721594.db2.gz MELHEPAPJNREEH-GFCCVEGCSA-N -1 3 384.295 3.831 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(Cl)c1 ZINC000186103475 880787269 /nfs/dbraw/zinc/78/72/69/880787269.db2.gz NSYOIJGZRFRIDF-UHFFFAOYSA-N -1 3 385.855 3.875 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(Cl)c1 ZINC000186103475 880787282 /nfs/dbraw/zinc/78/72/82/880787282.db2.gz NSYOIJGZRFRIDF-UHFFFAOYSA-N -1 3 385.855 3.875 20 0 GHADHM O=C([N-][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(F)(F)c1nccs1 ZINC000791973888 880813074 /nfs/dbraw/zinc/81/30/74/880813074.db2.gz NWCBNOXNMIURCU-GZMMTYOYSA-N -1 3 391.212 3.809 20 0 GHADHM C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186199532 880817747 /nfs/dbraw/zinc/81/77/47/880817747.db2.gz NGNFCGVFMZETLB-CYBMUJFWSA-N -1 3 388.468 3.522 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nccn2Cc2ccccc2)[n-]c1-c1ccccc1 ZINC000186841646 881000148 /nfs/dbraw/zinc/00/01/48/881000148.db2.gz MHEBAOZSSPUCSB-UHFFFAOYSA-N -1 3 392.484 3.604 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nccn2Cc2ccccc2)nc1-c1ccccc1 ZINC000186841646 881000166 /nfs/dbraw/zinc/00/01/66/881000166.db2.gz MHEBAOZSSPUCSB-UHFFFAOYSA-N -1 3 392.484 3.604 20 0 GHADHM CCC(C)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170941 881010144 /nfs/dbraw/zinc/01/01/44/881010144.db2.gz PMCGCRRDXTXFQF-HZPDHXFCSA-N -1 3 384.442 3.876 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(N2CCCC2)cc1 ZINC000011034190 881273533 /nfs/dbraw/zinc/27/35/33/881273533.db2.gz YBSBBHFXSVJHOW-UHFFFAOYSA-N -1 3 382.247 3.717 20 0 GHADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000499155024 881284428 /nfs/dbraw/zinc/28/44/28/881284428.db2.gz GHWKOXPFQAICKB-LBPRGKRZSA-N -1 3 386.398 3.518 20 0 GHADHM O=C([O-])[C@@]1(NCc2cccc(OCC(F)(F)F)c2)CCc2c1cccc2F ZINC000551057957 883199348 /nfs/dbraw/zinc/19/93/48/883199348.db2.gz OKGFQSHPRGSJNL-GOSISDBHSA-N -1 3 383.341 3.783 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc2c1CCC2 ZINC000195245796 883240037 /nfs/dbraw/zinc/24/00/37/883240037.db2.gz USMSUUYTCBKPFI-UHFFFAOYSA-N -1 3 398.406 3.818 20 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COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC000024428356 883831395 /nfs/dbraw/zinc/83/13/95/883831395.db2.gz SRGFCZIAIPJGEJ-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c(C)c1 ZINC000194728615 883911401 /nfs/dbraw/zinc/91/14/01/883911401.db2.gz MUDSXQBVXPAWIN-UHFFFAOYSA-N -1 3 388.489 3.851 20 0 GHADHM CCO[C@@H](COC(=O)c1n[n-]c(-c2ccccc2)c1Br)C1CC1 ZINC000859596789 883922538 /nfs/dbraw/zinc/92/25/38/883922538.db2.gz FLYWLOBAPTXNSR-ZDUSSCGKSA-N -1 3 379.254 3.811 20 0 GHADHM CCCCCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024881717 884074231 /nfs/dbraw/zinc/07/42/31/884074231.db2.gz IIKJYKSOTIUWHD-UHFFFAOYSA-N -1 3 376.478 3.879 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)c(=O)[n-]1 ZINC000760432945 884082154 /nfs/dbraw/zinc/08/21/54/884082154.db2.gz CYERFOQBXBUEPC-GOSISDBHSA-N -1 3 386.471 3.744 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000494890888 884128821 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COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000860247191 884480686 /nfs/dbraw/zinc/48/06/86/884480686.db2.gz SYDLQWCAEIHDLF-OAHLLOKOSA-N -1 3 376.250 3.510 20 0 GHADHM COc1ccc(CN(C(=O)c2cc([O-])ccc2Cl)[C@H](CO)C(C)C)cc1 ZINC000498459576 884482102 /nfs/dbraw/zinc/48/21/02/884482102.db2.gz VNLOAXIAXDRCJQ-LJQANCHMSA-N -1 3 377.868 3.714 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000230614432 884528941 /nfs/dbraw/zinc/52/89/41/884528941.db2.gz VFUQYJFDYXHWLJ-UHFFFAOYSA-N -1 3 397.132 3.679 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1c[n-]c2ccccc2c1=O ZINC000102890335 884601143 /nfs/dbraw/zinc/60/11/43/884601143.db2.gz XWTSGNBPCRBCQG-UHFFFAOYSA-N -1 3 389.436 3.839 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000914724678 884614551 /nfs/dbraw/zinc/61/45/51/884614551.db2.gz SHMFBIRLENRTGA-HNNXBMFYSA-N -1 3 392.496 3.620 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914745127 884686910 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CC(C)(COCc1ccccc1)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001183879406 912869399 /nfs/dbraw/zinc/86/93/99/912869399.db2.gz YNMZQGXPPHQXIT-UHFFFAOYSA-N -1 3 386.398 3.532 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1Cc2ccccc2C1 ZINC000106027944 884922062 /nfs/dbraw/zinc/92/20/62/884922062.db2.gz YWEAQDGDLQTGGB-UHFFFAOYSA-N -1 3 396.443 3.783 20 0 GHADHM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000263470173 884928733 /nfs/dbraw/zinc/92/87/33/884928733.db2.gz LDQCHOLQKRVNRR-FQEVSTJZSA-N -1 3 396.487 3.627 20 0 GHADHM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000117739076 885005995 /nfs/dbraw/zinc/00/59/95/885005995.db2.gz RAUNVQWXDMQLGB-DEOSSOPVSA-N -1 3 379.503 3.546 20 0 GHADHM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4c(C)nc(C(C)C)[n-]c4=O)C3)nc2c1 ZINC000762011564 885200326 /nfs/dbraw/zinc/20/03/26/885200326.db2.gz APDQDKOJFCQJRX-HNNXBMFYSA-N -1 3 393.491 3.819 20 0 GHADHM Cc1ccc2nc([C@H]3CCCN(C(=O)c4c(C)nc(C(C)C)[n-]c4=O)C3)[nH]c2c1 ZINC000762011564 885200343 /nfs/dbraw/zinc/20/03/43/885200343.db2.gz APDQDKOJFCQJRX-HNNXBMFYSA-N -1 3 393.491 3.819 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000498662544 885214367 /nfs/dbraw/zinc/21/43/67/885214367.db2.gz YOPBMDKZQZFIJR-WCQYABFASA-N -1 3 386.373 3.964 20 0 GHADHM O=C(NOCc1ccc(C(F)(F)F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000807118256 885254849 /nfs/dbraw/zinc/25/48/49/885254849.db2.gz CZCWRPALWHUZIY-UHFFFAOYSA-N -1 3 398.287 3.687 20 0 GHADHM CCc1ccc(-c2noc(COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)n2)cc1 ZINC000919326301 885337012 /nfs/dbraw/zinc/33/70/12/885337012.db2.gz SLGDMCUVUIUCLW-UHFFFAOYSA-N -1 3 378.388 3.948 20 0 GHADHM CCc1ccc(-c2noc(COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)n2)cc1 ZINC000919326301 885337033 /nfs/dbraw/zinc/33/70/33/885337033.db2.gz SLGDMCUVUIUCLW-UHFFFAOYSA-N -1 3 378.388 3.948 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1C ZINC000919329297 885345920 /nfs/dbraw/zinc/34/59/20/885345920.db2.gz NRLDFNMBCNSPGF-CYBMUJFWSA-N -1 3 383.404 3.554 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1C ZINC000919329297 885345943 /nfs/dbraw/zinc/34/59/43/885345943.db2.gz NRLDFNMBCNSPGF-CYBMUJFWSA-N -1 3 383.404 3.554 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000130953988 885373634 /nfs/dbraw/zinc/37/36/34/885373634.db2.gz AWPQGRSBEACBIW-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM Cc1cc2c(cc1C)N(C(=O)CCc1c(C)nc(-c3ccncc3)[n-]c1=O)CC2 ZINC000286878207 912943558 /nfs/dbraw/zinc/94/35/58/912943558.db2.gz IGHYSLAEFFXPCA-UHFFFAOYSA-N -1 3 388.471 3.691 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)ccc2o1 ZINC000747406457 885553941 /nfs/dbraw/zinc/55/39/41/885553941.db2.gz BZLFELSOJFRXTN-UHFFFAOYSA-N -1 3 399.346 3.535 20 0 GHADHM CCN(CC)[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000104834194 885688022 /nfs/dbraw/zinc/68/80/22/885688022.db2.gz GYKOZWGYEOQZLA-QFIPXVFZSA-N -1 3 394.515 3.897 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476430090 885780498 /nfs/dbraw/zinc/78/04/98/885780498.db2.gz QNJSDVRIGKTPAB-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3c([O-])cccc3O)cccc21 ZINC000807858852 885789781 /nfs/dbraw/zinc/78/97/81/885789781.db2.gz PCHDQSRINQLWKA-UHFFFAOYSA-N -1 3 398.459 3.716 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108700279 885822166 /nfs/dbraw/zinc/82/21/66/885822166.db2.gz UHRSDBZQSNMQRG-UHFFFAOYSA-N -1 3 394.863 3.770 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000861757020 885830580 /nfs/dbraw/zinc/83/05/80/885830580.db2.gz CQKRWMFKDUFVHP-LJQANCHMSA-N -1 3 388.261 3.765 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000861777287 885848796 /nfs/dbraw/zinc/84/87/96/885848796.db2.gz ROBUAJCUEHWDRV-QGZVFWFLSA-N -1 3 388.508 3.810 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1[O-] ZINC000805299239 885920043 /nfs/dbraw/zinc/92/00/43/885920043.db2.gz VMVODNWIPJEYND-MRXNPFEDSA-N -1 3 376.497 3.864 20 0 GHADHM COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2[O-])cc1OC ZINC000915198533 885997955 /nfs/dbraw/zinc/99/79/55/885997955.db2.gz LTGKUOFVRZHUSL-XBXARRHUSA-N -1 3 378.222 3.824 20 0 GHADHM C[C@@H](C(=O)[N-]OCCC(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000155063918 886174743 /nfs/dbraw/zinc/17/47/43/886174743.db2.gz YMUZNVHUPBFEED-TZMCWYRMSA-N -1 3 390.402 3.889 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1C ZINC000429727550 886226795 /nfs/dbraw/zinc/22/67/95/886226795.db2.gz CBHAQXVJCGYJOV-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1C ZINC000429727550 886226818 /nfs/dbraw/zinc/22/68/18/886226818.db2.gz CBHAQXVJCGYJOV-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC000056409702 886234281 /nfs/dbraw/zinc/23/42/81/886234281.db2.gz KGIZQEXDJFAFKZ-HNNXBMFYSA-N -1 3 390.505 3.896 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)ccc1Br ZINC000808347070 886251347 /nfs/dbraw/zinc/25/13/47/886251347.db2.gz YKCRVVVHWBSPOB-UHFFFAOYSA-N -1 3 396.253 3.508 20 0 GHADHM Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153577524 886407550 /nfs/dbraw/zinc/40/75/50/886407550.db2.gz IYCXNDPINZCDKI-UHFFFAOYSA-N -1 3 388.880 3.930 20 0 GHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)ccc1OC ZINC000131725662 886496550 /nfs/dbraw/zinc/49/65/50/886496550.db2.gz UXHHAWUFGGQHSJ-UHFFFAOYSA-N -1 3 390.505 3.646 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2cccc3c2CCCC3)c(Br)c1 ZINC000808575834 886524349 /nfs/dbraw/zinc/52/43/49/886524349.db2.gz QMXARIMGJSIGIC-UHFFFAOYSA-N -1 3 397.294 3.532 20 0 GHADHM CCOCCOc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000131778556 886546381 /nfs/dbraw/zinc/54/63/81/886546381.db2.gz DIAVUZGLEXMBOQ-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000762634117 886576066 /nfs/dbraw/zinc/57/60/66/886576066.db2.gz ZOQNFVVKWWZTQY-YOEHRIQHSA-N -1 3 388.514 3.601 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000476509823 886631860 /nfs/dbraw/zinc/63/18/60/886631860.db2.gz KNSAQSZLWHGHHJ-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)n[n-]c21 ZINC000808673957 886669764 /nfs/dbraw/zinc/66/97/64/886669764.db2.gz LLTVZEPPYLTIEK-JTQLQIEISA-N -1 3 390.342 3.601 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)[n-]nc21 ZINC000808673957 886669770 /nfs/dbraw/zinc/66/97/70/886669770.db2.gz LLTVZEPPYLTIEK-JTQLQIEISA-N -1 3 390.342 3.601 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291284 886693779 /nfs/dbraw/zinc/69/37/79/886693779.db2.gz ACRXREDNGIYCEW-QMMMGPOBSA-N -1 3 378.807 3.733 20 0 GHADHM Cc1cc2oc(=O)cc(CSc3nc4c(cnn4C)c(=O)[n-]3)c2cc1C(C)C ZINC000863363268 887059044 /nfs/dbraw/zinc/05/90/44/887059044.db2.gz SQPCGJYDGHEFJQ-UHFFFAOYSA-N -1 3 396.472 3.899 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC(=O)N3)cc1 ZINC000863422362 887094763 /nfs/dbraw/zinc/09/47/63/887094763.db2.gz WGAUUOYVWGTBNB-UHFFFAOYSA-N -1 3 390.461 3.974 20 0 GHADHM COC[C@H](C)N(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1CCc2ccccc21 ZINC000863726022 887327912 /nfs/dbraw/zinc/32/79/12/887327912.db2.gz COJNMCMYZOIJSM-IFXJQAMLSA-N -1 3 377.444 3.500 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459324249 887355174 /nfs/dbraw/zinc/35/51/74/887355174.db2.gz KBXMTNDRDICTEQ-DZGCQCFKSA-N -1 3 383.330 3.672 20 0 GHADHM C[C@H]1CC(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)C1 ZINC001131707658 887441163 /nfs/dbraw/zinc/44/11/63/887441163.db2.gz PEAFBLUNIUNOQB-VXGBXAGGSA-N -1 3 395.912 3.907 20 0 GHADHM C[C@H]1CC(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)C1 ZINC001131707658 887441174 /nfs/dbraw/zinc/44/11/74/887441174.db2.gz PEAFBLUNIUNOQB-VXGBXAGGSA-N -1 3 395.912 3.907 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](C)NC(=O)OC(C)(C)C ZINC001211940391 887497459 /nfs/dbraw/zinc/49/74/59/887497459.db2.gz MDRUOBIAFJJDER-VHSXEESVSA-N -1 3 397.324 3.573 20 0 GHADHM [O-]c1cccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1Br ZINC000459341763 887504194 /nfs/dbraw/zinc/50/41/94/887504194.db2.gz OHWZVVLYEKQSFW-MRXNPFEDSA-N -1 3 384.314 3.705 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)cnc1Cl ZINC000830018724 887514180 /nfs/dbraw/zinc/51/41/80/887514180.db2.gz SOTFEXYVGPFCLT-UHFFFAOYSA-N -1 3 377.297 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3cccs3)c2)n1 ZINC000049304503 887554256 /nfs/dbraw/zinc/55/42/56/887554256.db2.gz KVTDWXUSOPWQAS-UHFFFAOYSA-N -1 3 381.457 3.662 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000666699079 887640267 /nfs/dbraw/zinc/64/02/67/887640267.db2.gz LEIJFFGMMSAKQQ-UHFFFAOYSA-N -1 3 380.448 3.783 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000794596790 887663251 /nfs/dbraw/zinc/66/32/51/887663251.db2.gz XRYFBHGSPDVUHQ-UHFFFAOYSA-N -1 3 377.224 3.921 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000459362417 887694786 /nfs/dbraw/zinc/69/47/86/887694786.db2.gz PQUWVRARIPMNLB-UHFFFAOYSA-N -1 3 399.310 3.919 20 0 GHADHM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000532681086 887700006 /nfs/dbraw/zinc/70/00/06/887700006.db2.gz HEPIOCZZDONLBC-QVKFZJNVSA-N -1 3 385.485 3.969 20 0 GHADHM O=C([O-])[C@@H](CCCNCc1cccnc1Br)Cc1ccccc1 ZINC000864505382 887809961 /nfs/dbraw/zinc/80/99/61/887809961.db2.gz JFYDWFAQLAYVIP-HNNXBMFYSA-N -1 3 377.282 3.657 20 0 GHADHM CC(C)=CC[C@@H](NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC000864527782 887828107 /nfs/dbraw/zinc/82/81/07/887828107.db2.gz GJTSTZVLQZPXGC-QGZVFWFLSA-N -1 3 379.863 3.931 20 0 GHADHM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC000614843072 887945908 /nfs/dbraw/zinc/94/59/08/887945908.db2.gz LYXJKKHTEZYLEC-KRWDZBQOSA-N -1 3 393.530 3.627 20 0 GHADHM O=C([N-]C[C@H]1CCCN(CCc2cccc(Cl)c2Cl)C1)C(F)(F)F ZINC000810066576 888153074 /nfs/dbraw/zinc/15/30/74/888153074.db2.gz NIYZVWKBUHXTPT-LLVKDONJSA-N -1 3 383.241 3.926 20 0 GHADHM O=S(=O)(C=Cc1ccc(F)cc1)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000747597017 888272422 /nfs/dbraw/zinc/27/24/22/888272422.db2.gz VUKMCZFIAUOUHS-WAYWQWQTSA-N -1 3 395.765 3.810 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(Br)cc2)n1 ZINC000763210120 888303767 /nfs/dbraw/zinc/30/37/67/888303767.db2.gz VPTHBUGRWOWVPL-SNVBAGLBSA-N -1 3 382.283 3.514 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000763215501 888323051 /nfs/dbraw/zinc/32/30/51/888323051.db2.gz KSUNZGVGZBBXIW-UHFFFAOYSA-N -1 3 386.304 3.689 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000810340819 888441259 /nfs/dbraw/zinc/44/12/59/888441259.db2.gz VDJAUKSEFJMNAT-ZDUSSCGKSA-N -1 3 377.210 3.567 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000810340819 888441262 /nfs/dbraw/zinc/44/12/62/888441262.db2.gz VDJAUKSEFJMNAT-ZDUSSCGKSA-N -1 3 377.210 3.567 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@]2(C)CC(C)C)cc1OC ZINC000454296890 888507979 /nfs/dbraw/zinc/50/79/79/888507979.db2.gz IDCPMVKOAAWXMG-LJQANCHMSA-N -1 3 397.541 3.889 20 0 GHADHM Cc1nc([C@H]2CCOC2)sc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000865771885 888561406 /nfs/dbraw/zinc/56/14/06/888561406.db2.gz RMGGOFPKVIHKPK-NSHDSACASA-N -1 3 390.465 3.865 20 0 GHADHM O=c1[n-]c(CNCc2ccc(-c3ccc(Cl)cc3)s2)nc2c1COCC2 ZINC000865868362 888622297 /nfs/dbraw/zinc/62/22/97/888622297.db2.gz YWNLRNHBOSYHBY-UHFFFAOYSA-N -1 3 387.892 3.927 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@H](c3nccs3)C2)s1 ZINC000916279472 888887442 /nfs/dbraw/zinc/88/74/42/888887442.db2.gz HEOVJTWREJSZTB-JTQLQIEISA-N -1 3 380.495 3.576 20 0 GHADHM C[C@]12CC3CC(C(=O)OCC(=O)[N-]C(=O)c4cccs4)(C1)C[C@@](C)(C3)C2 ZINC000916419318 888998221 /nfs/dbraw/zinc/99/82/21/888998221.db2.gz WIVFYVLDFANMOW-GOSFSIBNSA-N -1 3 375.490 3.544 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](COc4ccccc4)C3)nc2)n1 ZINC000543727154 889054983 /nfs/dbraw/zinc/05/49/83/889054983.db2.gz PWDGLKUBKINMBP-MRXNPFEDSA-N -1 3 376.460 3.712 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001132551613 889080720 /nfs/dbraw/zinc/08/07/20/889080720.db2.gz WYZNEQQRHZGAJK-CYBMUJFWSA-N -1 3 387.852 3.752 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000123454958 889218517 /nfs/dbraw/zinc/21/85/17/889218517.db2.gz ZHYYINGGQNATFK-INIZCTEOSA-N -1 3 393.468 3.759 20 0 GHADHM COCCn1c(C)cc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1C ZINC000811395054 889536142 /nfs/dbraw/zinc/53/61/42/889536142.db2.gz SPVUJOWHHVNFKZ-UHFFFAOYSA-N -1 3 394.880 3.987 20 0 GHADHM CSCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063304855 889564373 /nfs/dbraw/zinc/56/43/73/889564373.db2.gz BGBRKCMOXCWBOD-UHFFFAOYSA-N -1 3 378.519 3.796 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000811605456 889802782 /nfs/dbraw/zinc/80/27/82/889802782.db2.gz VBDNCJAQEOSUDA-CWTRNNRKSA-N -1 3 382.888 3.669 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)cc2)n1 ZINC000064342543 889911939 /nfs/dbraw/zinc/91/19/39/889911939.db2.gz VMZKOZLDSRBSHQ-HNNXBMFYSA-N -1 3 395.846 3.589 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000064467776 889959542 /nfs/dbraw/zinc/95/95/42/889959542.db2.gz QSFKMJGDRLFWMQ-UHFFFAOYSA-N -1 3 388.367 3.735 20 0 GHADHM O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125394165 889978744 /nfs/dbraw/zinc/97/87/44/889978744.db2.gz JBURGGGKXGPWBM-CQSZACIVSA-N -1 3 382.363 3.853 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000812026222 890236056 /nfs/dbraw/zinc/23/60/56/890236056.db2.gz IVEVNZUWRHLZPC-GOEBONIOSA-N -1 3 391.478 3.836 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000916832210 890248830 /nfs/dbraw/zinc/24/88/30/890248830.db2.gz MJIRAFXSBAVVCS-GUDVDZBRSA-N -1 3 386.448 3.573 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000126245507 890441807 /nfs/dbraw/zinc/44/18/07/890441807.db2.gz OSJCNYFQBUWFRY-OAHLLOKOSA-N -1 3 375.266 3.854 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126724187 890665828 /nfs/dbraw/zinc/66/58/28/890665828.db2.gz AVCKOIIKRWPALQ-UHFFFAOYSA-N -1 3 393.266 3.572 20 0 GHADHM CC(C)c1[nH]ccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314448 890746495 /nfs/dbraw/zinc/74/64/95/890746495.db2.gz BJVJGADDIYBFRZ-ZDUSSCGKSA-N -1 3 393.409 3.951 20 0 GHADHM CC[C@H](CC(F)F)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315455 890750316 /nfs/dbraw/zinc/75/03/16/890750316.db2.gz CCAWXROWUOMJNH-VXGBXAGGSA-N -1 3 392.368 3.867 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316427 890752013 /nfs/dbraw/zinc/75/20/13/890752013.db2.gz VWTWWYFQPOTCPO-AWEZNQCLSA-N -1 3 398.425 3.581 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C(F)F)ncn3)nc(=O)c2c1C ZINC000923986400 890776581 /nfs/dbraw/zinc/77/65/81/890776581.db2.gz LYRDLUYQHODCQC-SSDOTTSWSA-N -1 3 380.376 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cc3cccc(F)c3)c2)n1 ZINC000066023661 890821813 /nfs/dbraw/zinc/82/18/13/890821813.db2.gz WAIBXNKUQWRCSQ-AWEZNQCLSA-N -1 3 379.435 3.956 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1Cl ZINC001184899454 913492219 /nfs/dbraw/zinc/49/22/19/913492219.db2.gz GQVBIGYRTFNDGX-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM Cc1nc(C(=O)[N-]c2cc(-c3ccccc3O)no2)sc1Br ZINC001184877364 913506253 /nfs/dbraw/zinc/50/62/53/913506253.db2.gz CJLFFWVXSDRVFY-UHFFFAOYSA-N -1 3 380.223 3.827 20 0 GHADHM C[C@H](CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)n1cccc1 ZINC000533615806 890980011 /nfs/dbraw/zinc/98/00/11/890980011.db2.gz NYVWRQYVPKSNNZ-CQSZACIVSA-N -1 3 389.883 3.676 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(COCc3ccccc3)cc2)s1 ZINC000533634971 890999144 /nfs/dbraw/zinc/99/91/44/890999144.db2.gz BHBUVOCOKWSMLK-UHFFFAOYSA-N -1 3 388.514 3.647 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000127315211 891000621 /nfs/dbraw/zinc/00/06/21/891000621.db2.gz JKKFNKJISBAGDZ-UHFFFAOYSA-N -1 3 376.547 3.653 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000542603806 891062916 /nfs/dbraw/zinc/06/29/16/891062916.db2.gz RHMGLMPOPTYLTB-MRXNPFEDSA-N -1 3 399.369 3.648 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c1[O-] ZINC000127621727 891170765 /nfs/dbraw/zinc/17/07/65/891170765.db2.gz VEULTBGYRVWJAU-UHFFFAOYSA-N -1 3 396.468 3.987 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c([O-])c1 ZINC000067177645 891221179 /nfs/dbraw/zinc/22/11/79/891221179.db2.gz YNCQKDYCPMXKAI-KRWDZBQOSA-N -1 3 382.243 3.921 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000127780121 891245683 /nfs/dbraw/zinc/24/56/83/891245683.db2.gz OVMGDJLCJMZLRR-UHFFFAOYSA-N -1 3 394.811 3.790 20 0 GHADHM CCOc1cc2c(cc1CN[C@@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@@H](C)C2 ZINC000825615594 891278990 /nfs/dbraw/zinc/27/89/90/891278990.db2.gz BVPWAUYWNPXTJJ-STQMWFEESA-N -1 3 397.454 3.579 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000825626457 891341346 /nfs/dbraw/zinc/34/13/46/891341346.db2.gz MFAHPJYQOAFUES-OAHLLOKOSA-N -1 3 394.479 3.711 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000825626457 891341361 /nfs/dbraw/zinc/34/13/61/891341361.db2.gz MFAHPJYQOAFUES-OAHLLOKOSA-N -1 3 394.479 3.711 20 0 GHADHM COC(=O)c1cc(Br)cc(Nc2ccc([O-])c(F)c2F)c1OC ZINC001212016368 891342343 /nfs/dbraw/zinc/34/23/43/891342343.db2.gz MTDFKIVJEBZPFN-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM CSc1nc(-c2ccco2)nc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067551754 891349360 /nfs/dbraw/zinc/34/93/60/891349360.db2.gz ZNBJRNIGQOFLOI-UHFFFAOYSA-N -1 3 383.405 3.808 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1Cl ZINC000128088158 891407295 /nfs/dbraw/zinc/40/72/95/891407295.db2.gz PXFPPDKNUOUUFG-SJKOYZFVSA-N -1 3 390.842 3.667 20 0 GHADHM CCC(CC)(C(=O)NCCCc1cc(=O)[nH][n-]1)c1ccc(Cl)c(Cl)c1 ZINC000614922293 891599430 /nfs/dbraw/zinc/59/94/30/891599430.db2.gz ZUYCOHXNAQHIBR-UHFFFAOYSA-N -1 3 384.307 3.824 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc([O-])c(I)c1)c1ccccc1 ZINC001185012359 913579066 /nfs/dbraw/zinc/57/90/66/913579066.db2.gz DDEZBNICAVUDFJ-SNVBAGLBSA-N -1 3 382.201 3.880 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(Cl)s3)cs2)o1 ZINC000497547758 891821350 /nfs/dbraw/zinc/82/13/50/891821350.db2.gz QHKXJNXCPRABPE-UHFFFAOYSA-N -1 3 388.879 3.774 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000128397594 891845284 /nfs/dbraw/zinc/84/52/84/891845284.db2.gz IIPOEPYIBPROAG-UHFFFAOYSA-N -1 3 384.264 3.522 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3oc(CC(C)C)nc3C)s2)c1 ZINC000188778996 891872464 /nfs/dbraw/zinc/87/24/64/891872464.db2.gz VZYKAXBXVMIPME-UHFFFAOYSA-N -1 3 386.477 3.885 20 0 GHADHM CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001133906797 891922846 /nfs/dbraw/zinc/92/28/46/891922846.db2.gz BEOYFAFGGLMRRY-UHFFFAOYSA-N -1 3 382.264 3.638 20 0 GHADHM CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001133906797 891922858 /nfs/dbraw/zinc/92/28/58/891922858.db2.gz BEOYFAFGGLMRRY-UHFFFAOYSA-N -1 3 382.264 3.638 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000068239240 892086778 /nfs/dbraw/zinc/08/67/78/892086778.db2.gz SMXXEOCIKWEZLR-CYBMUJFWSA-N -1 3 396.534 3.681 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(Cl)cc1)c1cnc(Cl)nc1 ZINC001185074867 913648562 /nfs/dbraw/zinc/64/85/62/913648562.db2.gz AEWNAHZFNRFHLL-MRXNPFEDSA-N -1 3 394.283 3.851 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1C ZINC000917735550 892446719 /nfs/dbraw/zinc/44/67/19/892446719.db2.gz VAUMIWGWYNDXRR-UHFFFAOYSA-N -1 3 389.473 3.904 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(Br)ccc1F ZINC001185123137 913678586 /nfs/dbraw/zinc/67/85/86/913678586.db2.gz CKHFLGIPMIOPHJ-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM Cc1cc2c(cc1Br)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC001134304845 892614824 /nfs/dbraw/zinc/61/48/24/892614824.db2.gz ZDPYPHTXZJPCSG-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC2CCCCC2)C2CC2)ccc1F ZINC000917803203 892616474 /nfs/dbraw/zinc/61/64/74/892616474.db2.gz UKJXQDUGHJMRBG-UHFFFAOYSA-N -1 3 396.528 3.697 20 0 GHADHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000154542032 892643549 /nfs/dbraw/zinc/64/35/49/892643549.db2.gz JENYZKIXHXDWJR-INIZCTEOSA-N -1 3 382.485 3.866 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@H]3CCCC34CC4)[n-]c2c(Br)c1 ZINC001134789514 893307293 /nfs/dbraw/zinc/30/72/93/893307293.db2.gz WLUQBVDXBHTTPF-SNVBAGLBSA-N -1 3 392.253 3.631 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000129452085 893429750 /nfs/dbraw/zinc/42/97/50/893429750.db2.gz GWPLVRPJZKCBHW-UHFFFAOYSA-N -1 3 390.358 3.777 20 0 GHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000129481222 893480072 /nfs/dbraw/zinc/48/00/72/893480072.db2.gz PYNYSYGWLKGUJR-MRXNPFEDSA-N -1 3 375.490 3.513 20 0 GHADHM O=c1[n-]c(CN2CCCSC[C@@H]2C(F)(F)F)nc2c3ccccc3oc21 ZINC000934242678 893497999 /nfs/dbraw/zinc/49/79/99/893497999.db2.gz DQHVTOXWNJKQAU-GFCCVEGCSA-N -1 3 383.395 3.951 20 0 GHADHM Cc1c([O-])ccc2c(CN3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)cc(=O)oc12 ZINC000815146879 893519525 /nfs/dbraw/zinc/51/95/25/893519525.db2.gz VHPQPDGOCZJUKW-GOSISDBHSA-N -1 3 385.382 3.739 20 0 GHADHM CCNC(=O)N1CCc2ccc(NCc3cccc([O-])c3Br)cc21 ZINC000459454361 893555899 /nfs/dbraw/zinc/55/58/99/893555899.db2.gz DELGPTPZYWNQHI-UHFFFAOYSA-N -1 3 390.281 3.859 20 0 GHADHM O=c1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)nc(-c2ccccc2)[n-]1 ZINC000459493103 893665968 /nfs/dbraw/zinc/66/59/68/893665968.db2.gz XXDGJSYGVLASAB-OAQYLSRUSA-N -1 3 375.472 3.843 20 0 GHADHM CCOc1cc(CNc2ccc(CCNC(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000877689298 893764058 /nfs/dbraw/zinc/76/40/58/893764058.db2.gz OCJURDOWBNCUCX-UHFFFAOYSA-N -1 3 391.899 3.870 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000934705342 893834349 /nfs/dbraw/zinc/83/43/49/893834349.db2.gz WPUIKKOBAKEZGF-LJVAIEIZSA-N -1 3 388.895 3.515 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C)c3ncccc13)c2=O ZINC000536870221 893975955 /nfs/dbraw/zinc/97/59/55/893975955.db2.gz NDKAZHGZWRGUNV-UHFFFAOYSA-N -1 3 377.375 3.785 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)o1 ZINC000878088147 894004691 /nfs/dbraw/zinc/00/46/91/894004691.db2.gz HJJFWLGHAZWRJO-FQEVSTJZSA-N -1 3 383.423 3.527 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878120364 894033600 /nfs/dbraw/zinc/03/36/00/894033600.db2.gz HGKUSAOXBRUNEQ-OAHLLOKOSA-N -1 3 381.407 3.676 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000536904741 894076961 /nfs/dbraw/zinc/07/69/61/894076961.db2.gz LBDXBDJOZAFFRY-MRXNPFEDSA-N -1 3 386.459 3.648 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000536904741 894076979 /nfs/dbraw/zinc/07/69/79/894076979.db2.gz LBDXBDJOZAFFRY-MRXNPFEDSA-N -1 3 386.459 3.648 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(Cl)s1 ZINC000563753119 894148415 /nfs/dbraw/zinc/14/84/15/894148415.db2.gz KZRDFYLGNQLHDK-SNVBAGLBSA-N -1 3 391.898 3.828 20 0 GHADHM CC(C)c1cc([N-]C(=O)c2nn(C)c(C(F)(F)F)c2Br)no1 ZINC001135190246 894168956 /nfs/dbraw/zinc/16/89/56/894168956.db2.gz GILHWYDOQVGMNY-UHFFFAOYSA-N -1 3 381.152 3.565 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC4(CCCCO4)CC3)cc2)cc(=O)[n-]1 ZINC000878296395 894172472 /nfs/dbraw/zinc/17/24/72/894172472.db2.gz HFCSDKJPDITGFR-UHFFFAOYSA-N -1 3 382.464 3.725 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NCc3nc4c(c(=O)[n-]3)COCC4)cc2)cs1 ZINC000878354292 894217513 /nfs/dbraw/zinc/21/75/13/894217513.db2.gz IDWVWSPSSYLLDL-GFCCVEGCSA-N -1 3 382.489 3.538 20 0 GHADHM COC(=O)c1cc(C(=O)OCCSc2ccnc3cc(Cl)ccc32)c[n-]1 ZINC000815976449 894349667 /nfs/dbraw/zinc/34/96/67/894349667.db2.gz MOMVCDQBMJIJLA-UHFFFAOYSA-N -1 3 390.848 3.952 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(N2CCCCC2=O)cc1 ZINC000878633207 894470278 /nfs/dbraw/zinc/47/02/78/894470278.db2.gz MGMJTQISRRLGIK-OAHLLOKOSA-N -1 3 392.459 3.810 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@H]2c3ccccc3CC23CCOCC3)o1 ZINC000878632979 894470576 /nfs/dbraw/zinc/47/05/76/894470576.db2.gz UXGDUPLEYCKJLK-HXUWFJFHSA-N -1 3 377.444 3.626 20 0 GHADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000537173927 894494020 /nfs/dbraw/zinc/49/40/20/894494020.db2.gz OYHTWSLTKJJQCV-HXUWFJFHSA-N -1 3 376.460 3.776 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c([O-])c1 ZINC001135473240 894649532 /nfs/dbraw/zinc/64/95/32/894649532.db2.gz YTMBWDBRNJBONY-UHFFFAOYSA-N -1 3 388.489 3.518 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)Nc2ccsc2)c2ccccc21)C(F)(F)F ZINC000878911170 894717035 /nfs/dbraw/zinc/71/70/35/894717035.db2.gz FMZXRCVBOGINQC-NSHDSACASA-N -1 3 383.395 3.952 20 0 GHADHM COC[C@H](C)N(Cc1nnc(-c2ccccc2[O-])o1)[C@H]1CCc2ccccc21 ZINC000879066043 894816714 /nfs/dbraw/zinc/81/67/14/894816714.db2.gz ZMJXFUYRCFLTIP-KXBFYZLASA-N -1 3 379.460 3.967 20 0 GHADHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC001185487493 913905734 /nfs/dbraw/zinc/90/57/34/913905734.db2.gz NXIRHCDUSTXLTG-UHFFFAOYSA-N -1 3 383.460 3.973 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOCc2ccc(Cl)cc2Cl)c1 ZINC000537384469 894874358 /nfs/dbraw/zinc/87/43/58/894874358.db2.gz RUUVXTGWMRUROE-UHFFFAOYSA-N -1 3 397.258 3.604 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000816611639 894974928 /nfs/dbraw/zinc/97/49/28/894974928.db2.gz UKUDSLKWFHNYBM-MNOVXSKESA-N -1 3 387.823 3.580 20 0 GHADHM CC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1[O-] ZINC000816620772 894980902 /nfs/dbraw/zinc/98/09/02/894980902.db2.gz KROBRGSMYRWYCI-UHFFFAOYSA-N -1 3 388.423 3.630 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000816662456 895007322 /nfs/dbraw/zinc/00/73/22/895007322.db2.gz PUEYRVZFCSOOMG-CYBMUJFWSA-N -1 3 382.888 3.955 20 0 GHADHM CC(C)C[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000537456232 895024257 /nfs/dbraw/zinc/02/42/57/895024257.db2.gz STLQQTTYJZHHEK-KGLIPLIRSA-N -1 3 385.302 3.548 20 0 GHADHM O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000816751476 895050807 /nfs/dbraw/zinc/05/08/07/895050807.db2.gz QAUACZSTOHBKNT-AWEZNQCLSA-N -1 3 380.872 3.709 20 0 GHADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)CCOCC(F)(F)F)cc2s1 ZINC000564549906 895071428 /nfs/dbraw/zinc/07/14/28/895071428.db2.gz HFPDYVKZYMVRHK-UHFFFAOYSA-N -1 3 388.820 3.579 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816933224 895224091 /nfs/dbraw/zinc/22/40/91/895224091.db2.gz ZXYMJLVKJDOBIH-OAHLLOKOSA-N -1 3 381.501 3.853 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCO[C@H](c2ccccc2)O1 ZINC000816943639 895229504 /nfs/dbraw/zinc/22/95/04/895229504.db2.gz GBHVICSPGSSMMC-WBVHZDCISA-N -1 3 378.222 3.598 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1ccc(Cl)nc1 ZINC000128013056 895310851 /nfs/dbraw/zinc/31/08/51/895310851.db2.gz ICCREDSVLGPVOT-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc3ncccc3c1)CC2 ZINC000565105751 895390493 /nfs/dbraw/zinc/39/04/93/895390493.db2.gz NIESGCOQZCAJMI-FQEVSTJZSA-N -1 3 392.455 3.826 20 0 GHADHM Cn1cc([C@H]2CN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2(C)C)cn1 ZINC000565198753 895454801 /nfs/dbraw/zinc/45/48/01/895454801.db2.gz HAQLDYMAASYDCV-OAQYLSRUSA-N -1 3 389.499 3.982 20 0 GHADHM CSCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000774897152 913975147 /nfs/dbraw/zinc/97/51/47/913975147.db2.gz CDDQPPGNYZYQCY-UHFFFAOYSA-N -1 3 383.466 3.536 20 0 GHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)sc2c1 ZINC000565502201 895679938 /nfs/dbraw/zinc/67/99/38/895679938.db2.gz NYTLFWTVXMGJFG-UHFFFAOYSA-N -1 3 384.523 3.535 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCc2ccc(Cl)cc21 ZINC000826161824 895685150 /nfs/dbraw/zinc/68/51/50/895685150.db2.gz BELDPENGDVNMIH-MRXNPFEDSA-N -1 3 385.855 3.645 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCc2ccc(Cl)cc21 ZINC000826161824 895685155 /nfs/dbraw/zinc/68/51/55/895685155.db2.gz BELDPENGDVNMIH-MRXNPFEDSA-N -1 3 385.855 3.645 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000826169851 895733710 /nfs/dbraw/zinc/73/37/10/895733710.db2.gz HPFHJTIXFNOASR-IBGZPJMESA-N -1 3 395.463 3.955 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc2c1 ZINC000774906236 914000329 /nfs/dbraw/zinc/00/03/29/914000329.db2.gz CITCWBMOWUXRPO-LBPRGKRZSA-N -1 3 383.366 3.564 20 0 GHADHM COc1cccc([C@@H]2[C@H](NC(=O)c3c([O-])cccc3Cl)CCN2C2CC2)c1 ZINC000778491451 895790314 /nfs/dbraw/zinc/79/03/14/895790314.db2.gz GUBUEPJGYCYCRU-YLJYHZDGSA-N -1 3 386.879 3.762 20 0 GHADHM COc1cc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)ccc1C ZINC000826179357 895820238 /nfs/dbraw/zinc/82/02/38/895820238.db2.gz LPCOQMNBYYEQFP-INIZCTEOSA-N -1 3 377.370 3.577 20 0 GHADHM COc1cc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)ccc1C ZINC000826179357 895820250 /nfs/dbraw/zinc/82/02/50/895820250.db2.gz LPCOQMNBYYEQFP-INIZCTEOSA-N -1 3 377.370 3.577 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000818329147 896115029 /nfs/dbraw/zinc/11/50/29/896115029.db2.gz PGVJFACPXOGMLS-IBGZPJMESA-N -1 3 387.524 3.725 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC2(CC1)OCCCO2 ZINC000818423037 896161664 /nfs/dbraw/zinc/16/16/64/896161664.db2.gz NIWFPIOGADODTJ-UHFFFAOYSA-N -1 3 381.472 3.547 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001136144806 896169224 /nfs/dbraw/zinc/16/92/24/896169224.db2.gz HWLSFTICIGQCLH-RYUDHWBXSA-N -1 3 378.416 3.755 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1C(F)(F)F)C1CC1)c1ccc(Cl)nc1 ZINC001185713604 914040258 /nfs/dbraw/zinc/04/02/58/914040258.db2.gz BQHAKRUYBFBZSU-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001136178733 896334337 /nfs/dbraw/zinc/33/43/37/896334337.db2.gz GXPMZDAQYXNWFL-LLVKDONJSA-N -1 3 384.860 3.684 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC(F)CC1 ZINC000881611909 896393715 /nfs/dbraw/zinc/39/37/15/896393715.db2.gz XNOWWJWNGSBDRU-UHFFFAOYSA-N -1 3 387.636 3.518 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826239179 896591883 /nfs/dbraw/zinc/59/18/83/896591883.db2.gz ZJYNUDUGNLBDSK-QGZVFWFLSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826239179 896591898 /nfs/dbraw/zinc/59/18/98/896591898.db2.gz ZJYNUDUGNLBDSK-QGZVFWFLSA-N -1 3 384.871 3.803 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CCC3(CCC3)O2)nc2c1cnn2Cc1ccccc1 ZINC000882238109 896716247 /nfs/dbraw/zinc/71/62/47/896716247.db2.gz SKONVAYHSPKRPU-HNNXBMFYSA-N -1 3 382.489 3.774 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)[C@@H](C)c2ccco2)CC1 ZINC000826254680 896740079 /nfs/dbraw/zinc/74/00/79/896740079.db2.gz WNPXCKPMHDHCQJ-OOHWJJMZSA-N -1 3 395.463 3.838 20 0 GHADHM CC(=O)c1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000025267629 896814103 /nfs/dbraw/zinc/81/41/03/896814103.db2.gz ORQDJCNTQKNVJV-SECBINFHSA-N -1 3 376.459 3.784 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826286526 896950095 /nfs/dbraw/zinc/95/00/95/896950095.db2.gz GAOPCEYGISUOJL-KRWDZBQOSA-N -1 3 387.487 3.670 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826286526 896950104 /nfs/dbraw/zinc/95/01/04/896950104.db2.gz GAOPCEYGISUOJL-KRWDZBQOSA-N -1 3 387.487 3.670 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)c3ccccc32)ccc1F ZINC000041968609 896990766 /nfs/dbraw/zinc/99/07/66/896990766.db2.gz HAAARFBPRUXLON-CQSZACIVSA-N -1 3 390.480 3.666 20 0 GHADHM Cc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000826290983 896991766 /nfs/dbraw/zinc/99/17/66/896991766.db2.gz JYFOBNQJKCXXNQ-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000826290983 896991777 /nfs/dbraw/zinc/99/17/77/896991777.db2.gz JYFOBNQJKCXXNQ-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cc(=O)[n-]cn1 ZINC001136307855 897194923 /nfs/dbraw/zinc/19/49/23/897194923.db2.gz HZZMSTWXYIPOHV-UHFFFAOYSA-N -1 3 381.244 3.789 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000820214227 897220637 /nfs/dbraw/zinc/22/06/37/897220637.db2.gz ZIQGPYGCMYCDHF-UHFFFAOYSA-N -1 3 382.420 3.797 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)cc1F ZINC000567643865 897308117 /nfs/dbraw/zinc/30/81/17/897308117.db2.gz IUOWGRHGUMJULJ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000820509287 897361679 /nfs/dbraw/zinc/36/16/79/897361679.db2.gz CVERNOUYWKOBOZ-UHFFFAOYSA-N -1 3 397.884 3.822 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H](c2cccs2)c2ccc(F)cc2)c2ccccc21 ZINC000027190542 897423513 /nfs/dbraw/zinc/42/35/13/897423513.db2.gz DWOCBSZEXJVIDQ-WPNIOXTASA-N -1 3 378.428 3.877 20 0 GHADHM CC(C)n1cnc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000131449306 897468193 /nfs/dbraw/zinc/46/81/93/897468193.db2.gz PKSPGFJYLFPKAX-UHFFFAOYSA-N -1 3 383.688 3.730 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)[C@H](C)C3)c2c1 ZINC000567978464 897518293 /nfs/dbraw/zinc/51/82/93/897518293.db2.gz GIBPZKYTOACAOO-CYBMUJFWSA-N -1 3 381.398 3.623 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820825686 897547068 /nfs/dbraw/zinc/54/70/68/897547068.db2.gz BDPRFINQFYIQSI-JTQLQIEISA-N -1 3 386.362 3.577 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820825686 897547077 /nfs/dbraw/zinc/54/70/77/897547077.db2.gz BDPRFINQFYIQSI-JTQLQIEISA-N -1 3 386.362 3.577 20 0 GHADHM Cc1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323858 897601376 /nfs/dbraw/zinc/60/13/76/897601376.db2.gz UZYGFXLLFCFUJP-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323858 897601380 /nfs/dbraw/zinc/60/13/80/897601380.db2.gz UZYGFXLLFCFUJP-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM COc1ccc(OCc2nc(CN[C@]3(C(=O)[O-])CCC[C@H](C)C3)cs2)cc1 ZINC000568116815 897608678 /nfs/dbraw/zinc/60/86/78/897608678.db2.gz OMIBJBUUESEZRC-VBKZILBWSA-N -1 3 390.505 3.854 20 0 GHADHM Cc1ncsc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826331493 897720231 /nfs/dbraw/zinc/72/02/31/897720231.db2.gz KRCBJCWOGDNHNK-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ncsc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826331493 897720245 /nfs/dbraw/zinc/72/02/45/897720245.db2.gz KRCBJCWOGDNHNK-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c(OC)c1 ZINC000028752608 897884475 /nfs/dbraw/zinc/88/44/75/897884475.db2.gz CXEXMVCHXJEDMY-QMMMGPOBSA-N -1 3 387.219 3.523 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CCC(OC(F)F)CC1 ZINC000568548467 897928154 /nfs/dbraw/zinc/92/81/54/897928154.db2.gz GCWCAYAPWOLWPJ-UHFFFAOYSA-N -1 3 376.363 3.954 20 0 GHADHM CC1(C)CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000568552971 897930658 /nfs/dbraw/zinc/93/06/58/897930658.db2.gz HDEQMGCGGFTLJM-ZDUSSCGKSA-N -1 3 393.484 3.511 20 0 GHADHM CN(C)C(=O)Sc1cccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821578034 897956117 /nfs/dbraw/zinc/95/61/17/897956117.db2.gz KFZRPCBNZSNFHR-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM CN(Cc1cc2ccccc2o1)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821608485 897982988 /nfs/dbraw/zinc/98/29/88/897982988.db2.gz JHLKUAQBVMPUOQ-UHFFFAOYSA-N -1 3 385.431 3.566 20 0 GHADHM CN(Cc1cc2ccccc2o1)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821608485 897982996 /nfs/dbraw/zinc/98/29/96/897982996.db2.gz JHLKUAQBVMPUOQ-UHFFFAOYSA-N -1 3 385.431 3.566 20 0 GHADHM COc1ccc(-c2csc(CNc3nnc(C)c(C)c3-c3nnn[n-]3)c2)cc1 ZINC000821732842 898042849 /nfs/dbraw/zinc/04/28/49/898042849.db2.gz VLXKMSDUABSJHG-UHFFFAOYSA-N -1 3 393.476 3.623 20 0 GHADHM COc1ccc(-c2csc(CNc3nnc(C)c(C)c3-c3nn[n-]n3)c2)cc1 ZINC000821732842 898042857 /nfs/dbraw/zinc/04/28/57/898042857.db2.gz VLXKMSDUABSJHG-UHFFFAOYSA-N -1 3 393.476 3.623 20 0 GHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000568830768 898142832 /nfs/dbraw/zinc/14/28/32/898142832.db2.gz UQISEEBPRUKHEV-LLVKDONJSA-N -1 3 375.266 3.695 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1nc(C)cs1 ZINC000104760089 898160605 /nfs/dbraw/zinc/16/06/05/898160605.db2.gz HCGHBMSSKMFTJH-SECBINFHSA-N -1 3 381.342 3.705 20 0 GHADHM O=C(NCC1(c2c(F)cccc2F)CCCC1)c1cc2c(cc1[O-])OCO2 ZINC001136573629 898300764 /nfs/dbraw/zinc/30/07/64/898300764.db2.gz UWYLJHNSOASHEO-UHFFFAOYSA-N -1 3 375.371 3.641 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3ccccc3)CC2)c([O-])c1 ZINC001136576822 898338233 /nfs/dbraw/zinc/33/82/33/898338233.db2.gz PULBHLZDFLRHHL-LJQANCHMSA-N -1 3 380.488 3.617 20 0 GHADHM CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569119610 898352623 /nfs/dbraw/zinc/35/26/23/898352623.db2.gz UTRCNJIGWRCVIL-CYBMUJFWSA-N -1 3 390.281 3.573 20 0 GHADHM Cc1ccc(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)c2ccc(F)cc2)o1 ZINC000108758770 898400969 /nfs/dbraw/zinc/40/09/69/898400969.db2.gz HENGILSQFPSXAO-UHFFFAOYSA-N -1 3 383.423 3.593 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H]1c1ccccc1Br ZINC000133518398 898527034 /nfs/dbraw/zinc/52/70/34/898527034.db2.gz ADHLXFPCBQQEEY-INIZCTEOSA-N -1 3 398.260 3.663 20 0 GHADHM CCCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000155271720 898549336 /nfs/dbraw/zinc/54/93/36/898549336.db2.gz KSIFHLHZSUXRKW-MSOLQXFVSA-N -1 3 383.492 3.513 20 0 GHADHM Fc1ccc(Br)c(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822761275 898616363 /nfs/dbraw/zinc/61/63/63/898616363.db2.gz GLBVZTQWMJFASG-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM Fc1ccc(Br)c(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822761275 898616371 /nfs/dbraw/zinc/61/63/71/898616371.db2.gz GLBVZTQWMJFASG-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM COc1cccc(CN2CCC(NC(=O)c3ccc4oc(=S)[n-]c4c3)CC2)c1 ZINC000822835326 898665450 /nfs/dbraw/zinc/66/54/50/898665450.db2.gz LTXOIZZGVJEWLW-UHFFFAOYSA-N -1 3 397.500 3.520 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2)c1 ZINC001186046598 914282492 /nfs/dbraw/zinc/28/24/92/914282492.db2.gz NMEACXCXTJKMGW-UHFFFAOYSA-N -1 3 399.871 3.522 20 0 GHADHM O=C(NCCCc1c[nH]c2ccccc12)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001136695713 898923372 /nfs/dbraw/zinc/92/33/72/898923372.db2.gz KCSTXGSOHHCGSE-UHFFFAOYSA-N -1 3 381.382 3.650 20 0 GHADHM O=c1[n-]c([C@H]2CCCN(CC/C=C\c3ccc(Br)cc3)C2)n[nH]1 ZINC000569763464 898933884 /nfs/dbraw/zinc/93/38/84/898933884.db2.gz CZCVWXKFUASKIO-QLTUCANCSA-N -1 3 377.286 3.556 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000823466780 899044768 /nfs/dbraw/zinc/04/47/68/899044768.db2.gz PKBUYSCLCFOIPR-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000823466780 899044784 /nfs/dbraw/zinc/04/47/84/899044784.db2.gz PKBUYSCLCFOIPR-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823498393 899065601 /nfs/dbraw/zinc/06/56/01/899065601.db2.gz NNECTLQISLEMBT-UHFFFAOYSA-N -1 3 387.468 3.742 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823498393 899065618 /nfs/dbraw/zinc/06/56/18/899065618.db2.gz NNECTLQISLEMBT-UHFFFAOYSA-N -1 3 387.468 3.742 20 0 GHADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570047840 899091425 /nfs/dbraw/zinc/09/14/25/899091425.db2.gz WOTDOYUTFGNGGL-NWDGAFQWSA-N -1 3 377.282 3.847 20 0 GHADHM O=C(CCc1ccccc1)N1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000570235141 899210530 /nfs/dbraw/zinc/21/05/30/899210530.db2.gz UQTXHSREAXNWKA-UHFFFAOYSA-N -1 3 386.879 3.856 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C)CCCCC2)cc1OC ZINC000570553289 899381917 /nfs/dbraw/zinc/38/19/17/899381917.db2.gz NJNLEIWGPUHMRS-UHFFFAOYSA-N -1 3 383.514 3.549 20 0 GHADHM CC(C)(C)Sc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccn1 ZINC000824124202 899395407 /nfs/dbraw/zinc/39/54/07/899395407.db2.gz QGMSNHOIJQWESW-UHFFFAOYSA-N -1 3 399.524 3.961 20 0 GHADHM CC(C)(C)Sc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccn1 ZINC000824124202 899395418 /nfs/dbraw/zinc/39/54/18/899395418.db2.gz QGMSNHOIJQWESW-UHFFFAOYSA-N -1 3 399.524 3.961 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H](CO)c2csc(C(C)C)n2)cnc1Cl ZINC000824207924 899454733 /nfs/dbraw/zinc/45/47/33/899454733.db2.gz AVKRWVPCFJAHBS-NSHDSACASA-N -1 3 389.855 3.565 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000824315798 899522040 /nfs/dbraw/zinc/52/20/40/899522040.db2.gz ZEFMUVPKVPHPEW-UHFFFAOYSA-N -1 3 390.419 3.741 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000824315798 899522048 /nfs/dbraw/zinc/52/20/48/899522048.db2.gz ZEFMUVPKVPHPEW-UHFFFAOYSA-N -1 3 390.419 3.741 20 0 GHADHM O=C(N[C@H]1CCC[C@H]1F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000570716148 899527576 /nfs/dbraw/zinc/52/75/76/899527576.db2.gz ARYNLEDFIBTCNU-NEPJUHHUSA-N -1 3 387.636 3.564 20 0 GHADHM C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513564 899649717 /nfs/dbraw/zinc/64/97/17/899649717.db2.gz CKFBGZSQHOCHNC-CYBMUJFWSA-N -1 3 399.458 3.625 20 0 GHADHM C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513564 899649724 /nfs/dbraw/zinc/64/97/24/899649724.db2.gz CKFBGZSQHOCHNC-CYBMUJFWSA-N -1 3 399.458 3.625 20 0 GHADHM Cc1ncc(CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000570991065 899703221 /nfs/dbraw/zinc/70/32/21/899703221.db2.gz SSYKKSDAFXRZIM-INIZCTEOSA-N -1 3 392.228 3.864 20 0 GHADHM C[C@H](OC(=O)CCCCC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712891 899781635 /nfs/dbraw/zinc/78/16/35/899781635.db2.gz DXXMRZRPCBAVKH-HNNXBMFYSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@H](OC(=O)CCCCC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712891 899781640 /nfs/dbraw/zinc/78/16/40/899781640.db2.gz DXXMRZRPCBAVKH-HNNXBMFYSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCC(C)CC1 ZINC000824917255 899874278 /nfs/dbraw/zinc/87/42/78/899874278.db2.gz NFGVZNCCOKYTTI-CXQJBGSLSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCC(C)CC1 ZINC000824917255 899874284 /nfs/dbraw/zinc/87/42/84/899874284.db2.gz NFGVZNCCOKYTTI-CXQJBGSLSA-N -1 3 379.917 3.696 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000333006484 899888503 /nfs/dbraw/zinc/88/85/03/899888503.db2.gz AFEZRIOQMKVQMH-SFHVURJKSA-N -1 3 394.446 3.604 20 0 GHADHM C[C@@H]1OCC[C@]12CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000333096342 899955834 /nfs/dbraw/zinc/95/58/34/899955834.db2.gz UIMJXRGQDOIQMB-VVBPWWLESA-N -1 3 383.444 3.593 20 0 GHADHM O=S(=O)([N-]C[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000571932222 900014125 /nfs/dbraw/zinc/01/41/25/900014125.db2.gz ZWCBNKDUJXPIKP-GFCCVEGCSA-N -1 3 379.350 3.664 20 0 GHADHM O=C(CCSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccccc1F ZINC000826407907 900067705 /nfs/dbraw/zinc/06/77/05/900067705.db2.gz HICYJCPNUYMWNW-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccccc1F ZINC000826407907 900067718 /nfs/dbraw/zinc/06/77/18/900067718.db2.gz HICYJCPNUYMWNW-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298808 900078374 /nfs/dbraw/zinc/07/83/74/900078374.db2.gz ZQXCVPLWZFBASB-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000825304617 900081776 /nfs/dbraw/zinc/08/17/76/900081776.db2.gz DMKIKULJSMFNCP-LLVKDONJSA-N -1 3 379.382 3.888 20 0 GHADHM CC(C)(C)OCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000572189128 900097346 /nfs/dbraw/zinc/09/73/46/900097346.db2.gz BPKOFYLCGFEECY-UHFFFAOYSA-N -1 3 378.230 3.599 20 0 GHADHM CCCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332599 900099762 /nfs/dbraw/zinc/09/97/62/900099762.db2.gz JLWIZCQWUCKTMJ-LSDHHAIUSA-N -1 3 379.464 3.526 20 0 GHADHM CCCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332599 900099770 /nfs/dbraw/zinc/09/97/70/900099770.db2.gz JLWIZCQWUCKTMJ-LSDHHAIUSA-N -1 3 379.464 3.526 20 0 GHADHM COc1cccc([C@]2(C)CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)c1 ZINC000825354371 900119724 /nfs/dbraw/zinc/11/97/24/900119724.db2.gz MRWAEJGJVLYQFE-JOCHJYFZSA-N -1 3 398.409 3.619 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ncc(C2CCCCC2)s1 ZINC000826440866 900426544 /nfs/dbraw/zinc/42/65/44/900426544.db2.gz DJEYNFZARKYLSR-UHFFFAOYSA-N -1 3 383.481 3.693 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ncc(C2CCCCC2)s1 ZINC000826440866 900426548 /nfs/dbraw/zinc/42/65/48/900426548.db2.gz DJEYNFZARKYLSR-UHFFFAOYSA-N -1 3 383.481 3.693 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826441746 900461529 /nfs/dbraw/zinc/46/15/29/900461529.db2.gz SFPQCCQWTGMMAT-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826441746 900461534 /nfs/dbraw/zinc/46/15/34/900461534.db2.gz SFPQCCQWTGMMAT-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM CCCCc1ncc(CN2CCCC[C@@](C)(O)C2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747943 900474075 /nfs/dbraw/zinc/47/40/75/900474075.db2.gz DQRZWXMYJUVBAP-HSZRJFAPSA-N -1 3 399.535 3.709 20 0 GHADHM O=C([N-][C@H]1CCCc2cccnc21)C(F)(F)c1ncccc1Br ZINC000885378056 900477845 /nfs/dbraw/zinc/47/78/45/900477845.db2.gz ZXGSPUZGMNVNJR-LBPRGKRZSA-N -1 3 382.208 3.525 20 0 GHADHM O=C([O-])c1nnc2ccccc2c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000844214070 900609838 /nfs/dbraw/zinc/60/98/38/900609838.db2.gz ODYNSRWBYBZIGI-UHFFFAOYSA-N -1 3 394.397 3.545 20 0 GHADHM CC(C)Oc1ccc2nccc(N3CCC([C@@H]4OCC[C@@H]4C(=O)[O-])CC3)c2c1 ZINC000575872534 901410773 /nfs/dbraw/zinc/41/07/73/901410773.db2.gz ROOCWMMNASJSQF-UWJYYQICSA-N -1 3 384.476 3.728 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1sccc1OC)c1nc(C(F)(F)F)cs1 ZINC000122679800 901822850 /nfs/dbraw/zinc/82/28/50/901822850.db2.gz WIOYLYKNPIOKMI-SSDOTTSWSA-N -1 3 386.442 3.662 20 0 GHADHM Cc1cc(CCCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)s1 ZINC000290278975 914609508 /nfs/dbraw/zinc/60/95/08/914609508.db2.gz CYSFIBIZNBHAHR-AWEZNQCLSA-N -1 3 390.471 3.605 20 0 GHADHM Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(Cc3c(F)cc([O-])cc3F)C[C@H]21 ZINC001144544781 902328010 /nfs/dbraw/zinc/32/80/10/902328010.db2.gz HAQYKDRBAGKQHR-CJNGLKHVSA-N -1 3 399.416 3.982 20 0 GHADHM O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000576911523 902352001 /nfs/dbraw/zinc/35/20/01/902352001.db2.gz UEMBLVNOMADPSP-AWEZNQCLSA-N -1 3 381.350 3.760 20 0 GHADHM CC(C)CN1c2ccccc2[C@]2(CCN(Cc3c(F)cc([O-])cc3F)C2)C1=O ZINC001144553670 902368337 /nfs/dbraw/zinc/36/83/37/902368337.db2.gz MGQQANPRRUBFQY-JOCHJYFZSA-N -1 3 386.442 3.817 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c2ccccc21 ZINC000577007691 902425534 /nfs/dbraw/zinc/42/55/34/902425534.db2.gz ZYPQSZDDIJDUND-CYBMUJFWSA-N -1 3 399.447 3.719 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C4CCCC4)cc3)CC2)[n-]1 ZINC000290328537 914630419 /nfs/dbraw/zinc/63/04/19/914630419.db2.gz CHSULPVTBBQBIO-UHFFFAOYSA-N -1 3 396.491 3.659 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C4CCCC4)cc3)CC2)n[n-]1 ZINC000290328537 914630432 /nfs/dbraw/zinc/63/04/32/914630432.db2.gz CHSULPVTBBQBIO-UHFFFAOYSA-N -1 3 396.491 3.659 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2nc(-c3ccccc3F)nn2c1 ZINC001144624049 902521834 /nfs/dbraw/zinc/52/18/34/902521834.db2.gz XVRNHIRFSAYRRV-UHFFFAOYSA-N -1 3 380.354 3.561 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144629099 902533247 /nfs/dbraw/zinc/53/32/47/902533247.db2.gz UGULRLZMOMLJSU-PVAVHDDUSA-N -1 3 377.456 3.575 20 0 GHADHM CN(C)[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1Cl ZINC001144633070 902540412 /nfs/dbraw/zinc/54/04/12/902540412.db2.gz CGRCEDGFATWNTC-MRXNPFEDSA-N -1 3 385.266 3.800 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1F ZINC001144651181 902557690 /nfs/dbraw/zinc/55/76/90/902557690.db2.gz KKXXXFRBJLNLHA-FPOVZHCZSA-N -1 3 390.430 3.516 20 0 GHADHM O=S(=O)([N-]C[C@@H](NCc1ccccc1)c1ccco1)c1cc2ccccc2o1 ZINC000577209564 902591839 /nfs/dbraw/zinc/59/18/39/902591839.db2.gz GLMJOYSNKBIIMK-GOSISDBHSA-N -1 3 396.468 3.835 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)c([O-])c1 ZINC001144672044 902603081 /nfs/dbraw/zinc/60/30/81/902603081.db2.gz AGQXTQSJTMWDPB-IBGZPJMESA-N -1 3 398.478 3.583 20 0 GHADHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000600770264 902890011 /nfs/dbraw/zinc/89/00/11/902890011.db2.gz PDJOKKKKVLSJSI-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(CO)c1)c1ccc(OCc2ccccc2)cc1 ZINC001186655048 914710302 /nfs/dbraw/zinc/71/03/02/914710302.db2.gz FJDGTARFUVZRPV-UHFFFAOYSA-N -1 3 387.432 3.698 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000265332597 903812809 /nfs/dbraw/zinc/81/28/09/903812809.db2.gz MWQBKNIZHPEXNE-UHFFFAOYSA-N -1 3 378.272 3.897 20 0 GHADHM CCC(CC)CC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001147990415 903946465 /nfs/dbraw/zinc/94/64/65/903946465.db2.gz MVEAMLPBZXCMSX-IAGOWNOFSA-N -1 3 384.442 3.876 20 0 GHADHM COc1cccc(C(=O)Nc2ccnn2-c2ccccc2C(F)(F)F)c1[O-] ZINC001148197565 903998386 /nfs/dbraw/zinc/99/83/86/903998386.db2.gz QTOZRSOGHLUNAT-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM CC(C)C1CCC(N2CCN(c3cc(C(C)(C)C)nc(C(=O)[O-])n3)CC2)CC1 ZINC000578654984 904029611 /nfs/dbraw/zinc/02/96/11/904029611.db2.gz OHDXIRICMXKJKV-UHFFFAOYSA-N -1 3 388.556 3.809 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2S(=O)(=O)COc2ccccc2)c([O-])c1 ZINC001148505947 904100943 /nfs/dbraw/zinc/10/09/43/904100943.db2.gz MFPKGUMVISDBQF-UHFFFAOYSA-N -1 3 397.452 3.763 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148661898 904161961 /nfs/dbraw/zinc/16/19/61/904161961.db2.gz FSXXDAHYOUGINW-VQTJNVASSA-N -1 3 395.455 3.894 20 0 GHADHM CC(=O)c1cc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)ccc1[O-] ZINC001148663172 904162031 /nfs/dbraw/zinc/16/20/31/904162031.db2.gz WOEIOSPURVJPFU-JLSDUUJJSA-N -1 3 387.476 3.710 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)ccc1[O-] ZINC001148670159 904165690 /nfs/dbraw/zinc/16/56/90/904165690.db2.gz GETFOHWTCMRLKC-IBGZPJMESA-N -1 3 397.471 3.668 20 0 GHADHM CCc1n[n-]c(S(=O)(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)n1 ZINC000153121624 904333107 /nfs/dbraw/zinc/33/31/07/904333107.db2.gz HYDQUBHZNHLAJA-UHFFFAOYSA-N -1 3 376.507 3.588 20 0 GHADHM CCc1nnc(S(=O)(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)[n-]1 ZINC000153121624 904333121 /nfs/dbraw/zinc/33/31/21/904333121.db2.gz HYDQUBHZNHLAJA-UHFFFAOYSA-N -1 3 376.507 3.588 20 0 GHADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)sc1C ZINC000290785479 914818704 /nfs/dbraw/zinc/81/87/04/914818704.db2.gz CQZGQTJNKZIXDE-ZDUSSCGKSA-N -1 3 380.853 3.574 20 0 GHADHM CCc1cc2c(CSc3nnnn3-c3cccc(C)c3)cc(=O)oc2cc1[O-] ZINC000036819055 904532508 /nfs/dbraw/zinc/53/25/08/904532508.db2.gz DCQVKFGQQYGQHL-UHFFFAOYSA-N -1 3 394.456 3.637 20 0 GHADHM O=C([N-]NC(=O)c1ccc(C(F)(F)F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000188124699 904876542 /nfs/dbraw/zinc/87/65/42/904876542.db2.gz QYSYDUJMSQDQTN-UHFFFAOYSA-N -1 3 389.736 3.642 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000188211296 904892435 /nfs/dbraw/zinc/89/24/35/904892435.db2.gz XHUYXFTWWWZWQW-GFCCVEGCSA-N -1 3 381.436 3.796 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1cc(F)ccc1Br ZINC000188234760 904895191 /nfs/dbraw/zinc/89/51/91/904895191.db2.gz PHQLKRTTYROLCL-KPKJPENVSA-N -1 3 375.197 3.517 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000188387848 904916458 /nfs/dbraw/zinc/91/64/58/904916458.db2.gz CZJLEVTVPVVJHV-LVMGUKCRSA-N -1 3 383.245 3.865 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000826686963 904969506 /nfs/dbraw/zinc/96/95/06/904969506.db2.gz CUKDYJBJIIOZES-INIZCTEOSA-N -1 3 378.469 3.723 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@H]1CCCOC1 ZINC000174156870 905212152 /nfs/dbraw/zinc/21/21/52/905212152.db2.gz IESPYHMJQMMKGF-CYBMUJFWSA-N -1 3 387.480 3.649 20 0 GHADHM Cn1cc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766799 905662006 /nfs/dbraw/zinc/66/20/06/905662006.db2.gz CHOFXBBBYKLENJ-UHFFFAOYSA-N -1 3 396.274 3.528 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000627686201 905700949 /nfs/dbraw/zinc/70/09/49/905700949.db2.gz XJVCYSKSUVBWIK-LSDHHAIUSA-N -1 3 386.492 3.882 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)o1 ZINC000176509748 905859063 /nfs/dbraw/zinc/85/90/63/905859063.db2.gz HIHVRWKPJVXWEJ-UHFFFAOYSA-N -1 3 376.356 3.539 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000176628094 905900779 /nfs/dbraw/zinc/90/07/79/905900779.db2.gz RCIXSMPYWBSXGJ-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1COCc1ccccc1 ZINC000628032327 905905393 /nfs/dbraw/zinc/90/53/93/905905393.db2.gz WFTZDAOEGAWQJW-FQEVSTJZSA-N -1 3 377.444 3.652 20 0 GHADHM COc1cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)ccc1Br ZINC000190311510 905945218 /nfs/dbraw/zinc/94/52/18/905945218.db2.gz ACWFTGBCGOXUJW-UHFFFAOYSA-N -1 3 396.262 3.633 20 0 GHADHM O=C([O-])c1cn(C2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)nn1 ZINC000901524061 921201913 /nfs/dbraw/zinc/20/19/13/921201913.db2.gz MZGPTYPTVNBDAB-UHFFFAOYSA-N -1 3 386.839 3.727 20 0 GHADHM C/C(=C/c1cccc(C(F)(F)F)c1)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901528516 921205685 /nfs/dbraw/zinc/20/56/85/921205685.db2.gz UICSWPSGAIEABE-RQPMMQJISA-N -1 3 394.397 3.736 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)ccn1 ZINC000777327572 906162277 /nfs/dbraw/zinc/16/22/77/906162277.db2.gz QHXWTKUTTPCUAF-AWEZNQCLSA-N -1 3 379.416 3.949 20 0 GHADHM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)[N-]OC1CCCCC1 ZINC000779318210 906197657 /nfs/dbraw/zinc/19/76/57/906197657.db2.gz UARPFEQZNLVYMH-UHFFFAOYSA-N -1 3 380.444 3.597 20 0 GHADHM CC[C@H](CCc1ccccc1)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000628609072 906213542 /nfs/dbraw/zinc/21/35/42/906213542.db2.gz GRRMOJGJBOBUEI-MRXNPFEDSA-N -1 3 394.471 3.687 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000178267146 906319653 /nfs/dbraw/zinc/31/96/53/906319653.db2.gz QMWKPYGVGYMVIE-JTQLQIEISA-N -1 3 381.192 3.639 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C[C@H](C)C1CCCCC1 ZINC000628982300 906410590 /nfs/dbraw/zinc/41/05/90/906410590.db2.gz HDBRICMRFZIZQI-INIZCTEOSA-N -1 3 396.535 3.748 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000179503824 906514233 /nfs/dbraw/zinc/51/42/33/906514233.db2.gz AVEXSIHTXRLAKD-IAISJRAMSA-N -1 3 383.448 3.734 20 0 GHADHM O=c1[n-]c(SCc2noc(C3CCC3)n2)nc2c1cnn2Cc1ccccc1 ZINC000629189927 906577717 /nfs/dbraw/zinc/57/77/17/906577717.db2.gz TWCWLTWFKOGRSJ-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC(Cc3ccccc3Br)C2)cc1[O-] ZINC000629604295 906896632 /nfs/dbraw/zinc/89/66/32/906896632.db2.gz YSKDEBXPQFWZGA-UHFFFAOYSA-N -1 3 388.261 3.672 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCC12CC2 ZINC000629829466 907030697 /nfs/dbraw/zinc/03/06/97/907030697.db2.gz HBGGRATVDSGEFG-TZIWHRDSSA-N -1 3 392.499 3.950 20 0 GHADHM CN1CCN(c2ccc(Nc3ccc(F)c(Br)c3[O-])cc2)CC1 ZINC001174813602 907244104 /nfs/dbraw/zinc/24/41/04/907244104.db2.gz IKMPLCUXDJNFAZ-UHFFFAOYSA-N -1 3 380.261 3.789 20 0 GHADHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])C2CCCC2)cc(Br)c1[O-] ZINC000630469493 907297835 /nfs/dbraw/zinc/29/78/35/907297835.db2.gz AHIYXXZCBMZZFA-ZDUSSCGKSA-N -1 3 386.286 3.534 20 0 GHADHM O=C(Nc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1)c1cccnc1Cl ZINC001175428864 907548499 /nfs/dbraw/zinc/54/84/99/907548499.db2.gz OWJRMNFYCHXYKK-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM CC(=O)Nc1nc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC001175432569 907552167 /nfs/dbraw/zinc/55/21/67/907552167.db2.gz IIKULZSJXRNCDQ-UHFFFAOYSA-N -1 3 377.433 3.692 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000184923321 907680361 /nfs/dbraw/zinc/68/03/61/907680361.db2.gz VSTKEDOBLINZES-KSSFIOAISA-N -1 3 383.448 3.736 20 0 GHADHM CCCNc1ccc(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000192576141 907757284 /nfs/dbraw/zinc/75/72/84/907757284.db2.gz WZYXOCSQPSSUCW-UHFFFAOYSA-N -1 3 395.290 3.960 20 0 GHADHM O=C(CCN1Cc2nc(C3CC3)[n-]c(=O)c2C1)Nc1cc(Cl)ccc1Cl ZINC001175861879 907802968 /nfs/dbraw/zinc/80/29/68/907802968.db2.gz RSSSIBRXQIBFNT-UHFFFAOYSA-N -1 3 393.274 3.711 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631923336 907875293 /nfs/dbraw/zinc/87/52/93/907875293.db2.gz SQQVBKBKWAUCER-LLVKDONJSA-N -1 3 395.531 3.629 20 0 GHADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cscc2Br)cs1 ZINC000631944915 907878255 /nfs/dbraw/zinc/87/82/55/907878255.db2.gz KRMXPDOJWYIIOU-SSDOTTSWSA-N -1 3 381.342 3.569 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000632128693 907949910 /nfs/dbraw/zinc/94/99/10/907949910.db2.gz IVFTTZBRBWKJDA-INIZCTEOSA-N -1 3 382.851 3.737 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000777427499 908004008 /nfs/dbraw/zinc/00/40/08/908004008.db2.gz RMELPVYWHHTJDP-UHFFFAOYSA-N -1 3 382.460 3.981 20 0 GHADHM O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858921 908277369 /nfs/dbraw/zinc/27/73/69/908277369.db2.gz RVDDLSMSAHZSKZ-UHFFFAOYSA-N -1 3 383.757 3.888 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176853101 908295636 /nfs/dbraw/zinc/29/56/36/908295636.db2.gz PKVFWOQMYCZXGR-KRWDZBQOSA-N -1 3 387.867 3.659 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)COc2ccccn2)onc1-c1ccccc1 ZINC001177632119 908682081 /nfs/dbraw/zinc/68/20/81/908682081.db2.gz OSKULNQLYUCZPF-UHFFFAOYSA-N -1 3 395.415 3.709 20 0 GHADHM O=C(NCc1noc(-c2ccco2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001177818801 908750895 /nfs/dbraw/zinc/75/08/95/908750895.db2.gz HHESJXBSXWYBTF-UHFFFAOYSA-N -1 3 375.384 3.556 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001178009457 908848009 /nfs/dbraw/zinc/84/80/09/908848009.db2.gz ZKTOFFVQTFKMHV-UHFFFAOYSA-N -1 3 389.328 3.595 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001178009457 908848027 /nfs/dbraw/zinc/84/80/27/908848027.db2.gz ZKTOFFVQTFKMHV-UHFFFAOYSA-N -1 3 389.328 3.595 20 0 GHADHM Cc1ccnc(-c2cc(CCCC(=O)Nc3ccccc3-c3nnn[n-]3)ccn2)c1 ZINC001178277183 908980334 /nfs/dbraw/zinc/98/03/34/908980334.db2.gz CEYHMYMRCRWEOX-UHFFFAOYSA-N -1 3 399.458 3.594 20 0 GHADHM Cc1ccnc(-c2cc(CCCC(=O)Nc3ccccc3-c3nn[n-]n3)ccn2)c1 ZINC001178277183 908980346 /nfs/dbraw/zinc/98/03/46/908980346.db2.gz CEYHMYMRCRWEOX-UHFFFAOYSA-N -1 3 399.458 3.594 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1 ZINC001178339737 909006624 /nfs/dbraw/zinc/00/66/24/909006624.db2.gz WCABYCWFRVPTMF-UHFFFAOYSA-N -1 3 379.342 3.761 20 0 GHADHM CC[C@@H](C)C[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000901680816 921465269 /nfs/dbraw/zinc/46/52/69/921465269.db2.gz HHSQDLFTWCYJCD-LDYMZIIASA-N -1 3 394.107 3.586 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000635020324 909103774 /nfs/dbraw/zinc/10/37/74/909103774.db2.gz LMWGDBFQYJJUQH-NFBKMPQASA-N -1 3 392.455 3.515 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(F)c([O-])c2)[C@H](C(F)(F)F)C1 ZINC001178982895 909345797 /nfs/dbraw/zinc/34/57/97/909345797.db2.gz JJICYVJYQNPRRY-GHMZBOCLSA-N -1 3 392.349 3.515 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC001179366749 909508692 /nfs/dbraw/zinc/50/86/92/909508692.db2.gz PLQBHKBTIGLSIL-QGZVFWFLSA-N -1 3 376.497 3.891 20 0 GHADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319529 909539304 /nfs/dbraw/zinc/53/93/04/909539304.db2.gz UMVVIKDXWHXEJI-LLVKDONJSA-N -1 3 395.381 3.552 20 0 GHADHM Cc1sc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1Br ZINC000636321090 909541566 /nfs/dbraw/zinc/54/15/66/909541566.db2.gz BPEDJPQMEMLNED-UHFFFAOYSA-N -1 3 382.283 3.512 20 0 GHADHM O=C(CCSc1cccc(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321573 909543481 /nfs/dbraw/zinc/54/34/81/909543481.db2.gz UOAKIRRPHOQGJJ-UHFFFAOYSA-N -1 3 377.897 3.902 20 0 GHADHM COc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1OC1CCCC1 ZINC000636321360 909543820 /nfs/dbraw/zinc/54/38/20/909543820.db2.gz ZZMYCDOOICIQSH-UHFFFAOYSA-N -1 3 397.475 3.710 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)/C=C/c1c(F)ccc(F)c1Cl ZINC001179771568 909699814 /nfs/dbraw/zinc/69/98/14/909699814.db2.gz JKBBQIHNIBNVFA-GORDUTHDSA-N -1 3 385.725 3.901 20 0 GHADHM CCCN1CCN(c2ccccc2CNc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC000901739666 921524212 /nfs/dbraw/zinc/52/42/12/921524212.db2.gz RSCWQHUWEFNDIN-UHFFFAOYSA-N -1 3 397.519 3.675 20 0 GHADHM CCOc1cccc(C=CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001179954412 909863794 /nfs/dbraw/zinc/86/37/94/909863794.db2.gz JTOHZRISHIXMCK-VAWYXSNFSA-N -1 3 391.427 3.817 20 0 GHADHM CCOc1cccc(C=CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001179954412 909863802 /nfs/dbraw/zinc/86/38/02/909863802.db2.gz JTOHZRISHIXMCK-VAWYXSNFSA-N -1 3 391.427 3.817 20 0 GHADHM COc1cccc(CC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1OC ZINC001179967289 909873329 /nfs/dbraw/zinc/87/33/29/909873329.db2.gz CAITUIZGVDJANY-UHFFFAOYSA-N -1 3 387.432 3.546 20 0 GHADHM CC1CCN([C@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000901796760 921575242 /nfs/dbraw/zinc/57/52/42/921575242.db2.gz SSOSQMONOYSSJU-GMNBZTITSA-N -1 3 388.489 3.642 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001181068676 910514928 /nfs/dbraw/zinc/51/49/28/910514928.db2.gz UUQKQMULEOLYTN-UHFFFAOYSA-N -1 3 388.464 3.617 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000270527093 910600965 /nfs/dbraw/zinc/60/09/65/910600965.db2.gz DRYDDUCMJRDCQD-UHFFFAOYSA-N -1 3 375.856 3.762 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000901821984 921595680 /nfs/dbraw/zinc/59/56/80/921595680.db2.gz ICXXMSSCOHEHPX-GOSISDBHSA-N -1 3 383.341 3.953 20 0 GHADHM Cn1cc(C2=CCCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)C2)cn1 ZINC000639796432 910675627 /nfs/dbraw/zinc/67/56/27/910675627.db2.gz SEPVBEGLZNQULW-UHFFFAOYSA-N -1 3 393.472 3.680 20 0 GHADHM C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639819375 910691642 /nfs/dbraw/zinc/69/16/42/910691642.db2.gz BFUKNYRUZXADDA-CRAIPNDOSA-N -1 3 391.475 3.675 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCCC[C@@H]3C)c2)c1 ZINC000271185973 910807981 /nfs/dbraw/zinc/80/79/81/910807981.db2.gz DRLRNPOYMLXZKY-AWEZNQCLSA-N -1 3 398.459 3.676 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)C3CCCC3)c2)c1 ZINC000271224430 910824794 /nfs/dbraw/zinc/82/47/94/910824794.db2.gz QJCBPTZOHPLIQL-UHFFFAOYSA-N -1 3 398.459 3.676 20 0 GHADHM CC(C)N(CC(=O)N1CCCCCC1)Cc1cccc([O-])c1Br ZINC001181638121 910865208 /nfs/dbraw/zinc/86/52/08/910865208.db2.gz QGADWTKHVZUSNH-UHFFFAOYSA-N -1 3 383.330 3.768 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292885 910954657 /nfs/dbraw/zinc/95/46/57/910954657.db2.gz PQQYMFJUXSWOLJ-SNVBAGLBSA-N -1 3 390.793 3.720 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292639 910955290 /nfs/dbraw/zinc/95/52/90/910955290.db2.gz NNCKJUOSWWNIDJ-UHFFFAOYSA-N -1 3 399.175 3.977 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293730 910956676 /nfs/dbraw/zinc/95/66/76/910956676.db2.gz WOFHYHFNXJSOTL-DGCLKSJQSA-N -1 3 386.805 3.931 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCc2cc(Cl)ccc2C1 ZINC000640303112 910960101 /nfs/dbraw/zinc/96/01/01/910960101.db2.gz WWZOLKQTLRIZIT-UHFFFAOYSA-N -1 3 393.196 3.764 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N=c2[n-]n(C)cc2Br)o1 ZINC000640313268 910965172 /nfs/dbraw/zinc/96/51/72/910965172.db2.gz HSRBMNYQTLGPTA-MFKMUULPSA-N -1 3 381.274 3.511 20 0 GHADHM COc1cccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c1[O-] ZINC000273869172 911072096 /nfs/dbraw/zinc/07/20/96/911072096.db2.gz FRBMBTJTNWZVSU-UHFFFAOYSA-N -1 3 375.425 3.565 20 0 GHADHM COc1ccc([O-])c(-c2nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)no2)c1 ZINC000273881152 911079630 /nfs/dbraw/zinc/07/96/30/911079630.db2.gz OOZOVUBINYJLEO-GFCCVEGCSA-N -1 3 375.425 3.565 20 0 GHADHM COc1ccc([O-])c(-c2nc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)no2)c1 ZINC000273881154 911080038 /nfs/dbraw/zinc/08/00/38/911080038.db2.gz OOZOVUBINYJLEO-LBPRGKRZSA-N -1 3 375.425 3.565 20 0 GHADHM COc1ccc([C@H](NCc2cnc3c(cnn3C(C)C)c2)C(=O)[O-])cc1Cl ZINC000901850063 921639030 /nfs/dbraw/zinc/63/90/30/921639030.db2.gz UMHUUOMWAVJAJY-KRWDZBQOSA-N -1 3 388.855 3.590 20 0 GHADHM O=C(CSc1c(Cl)cccc1Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC001182164900 911217341 /nfs/dbraw/zinc/21/73/41/911217341.db2.gz OVZYHNMTKYGRFW-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1c(Cl)cccc1Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC001182164900 911217352 /nfs/dbraw/zinc/21/73/52/911217352.db2.gz OVZYHNMTKYGRFW-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)C[C@]2(C)CC2(F)F)oc1-c1ccc(Cl)cc1 ZINC000641375015 911395053 /nfs/dbraw/zinc/39/50/53/911395053.db2.gz CAHUOOMFDAYKPV-HNNXBMFYSA-N -1 3 390.839 3.768 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001182365578 911562265 /nfs/dbraw/zinc/56/22/65/911562265.db2.gz SYOBXHSODGMZBD-NEPJUHHUSA-N -1 3 389.333 3.802 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc[nH]c1C1CC1 ZINC000284013250 911720954 /nfs/dbraw/zinc/72/09/54/911720954.db2.gz OETWAZVJAFXYNR-UHFFFAOYSA-N -1 3 387.383 3.535 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1OCC ZINC000642214616 911872305 /nfs/dbraw/zinc/87/23/05/911872305.db2.gz HUVGURCHNMGHMI-UHFFFAOYSA-N -1 3 379.478 3.910 20 0 GHADHM Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001187007248 914937846 /nfs/dbraw/zinc/93/78/46/914937846.db2.gz TWNRIIKQDXDBDY-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001187007248 914937858 /nfs/dbraw/zinc/93/78/58/914937858.db2.gz TWNRIIKQDXDBDY-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nc1C ZINC001187044669 914980502 /nfs/dbraw/zinc/98/05/02/914980502.db2.gz YMHXRBALRZIQEC-UHFFFAOYSA-N -1 3 380.684 3.996 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1-c1ccccc1)C1CCOCC1 ZINC000647122524 915037482 /nfs/dbraw/zinc/03/74/82/915037482.db2.gz KHYILWUQPWLSGH-HXUWFJFHSA-N -1 3 375.490 3.537 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001187206515 915116403 /nfs/dbraw/zinc/11/64/03/915116403.db2.gz USSGKHPSAXQYSS-PHIMTYICSA-N -1 3 384.270 3.851 20 0 GHADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC001187354272 915216431 /nfs/dbraw/zinc/21/64/31/915216431.db2.gz WXQSLJQZXCKRAX-QGZVFWFLSA-N -1 3 393.480 3.692 20 0 GHADHM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000291844618 915387132 /nfs/dbraw/zinc/38/71/32/915387132.db2.gz NSAXXZDLGXBQAK-DOTOQJQBSA-N -1 3 398.507 3.702 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c([O-])c1 ZINC000291871757 915397636 /nfs/dbraw/zinc/39/76/36/915397636.db2.gz NOFSQGFFKNYEKJ-ZDUSSCGKSA-N -1 3 383.370 3.810 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)c1ccco1 ZINC001187668675 915427209 /nfs/dbraw/zinc/42/72/09/915427209.db2.gz WRACYWHZQJMPKD-GFCCVEGCSA-N -1 3 399.337 3.600 20 0 GHADHM Cc1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc(=O)[n-]1 ZINC001187743727 915494174 /nfs/dbraw/zinc/49/41/74/915494174.db2.gz AOAMGOBWAMOVSI-UHFFFAOYSA-N -1 3 378.816 3.743 20 0 GHADHM Cc1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001188025948 915718024 /nfs/dbraw/zinc/71/80/24/915718024.db2.gz RSLMELJKMXRMKA-UHFFFAOYSA-N -1 3 388.714 3.932 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC001188147098 915781030 /nfs/dbraw/zinc/78/10/30/915781030.db2.gz VHAPYZPPEBYOST-UHFFFAOYSA-N -1 3 388.178 3.886 20 0 GHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000292680573 915794331 /nfs/dbraw/zinc/79/43/31/915794331.db2.gz JQNBEXRFTYPDBV-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)c1noc(-c2ccccc2)n1 ZINC001188213467 915834459 /nfs/dbraw/zinc/83/44/59/915834459.db2.gz AHUFZLDPTWJIPC-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM COC(=O)CCS(=O)(=O)[N-]c1c(C)c(C(F)(F)F)cc(Cl)c1Cl ZINC001188392172 915918688 /nfs/dbraw/zinc/91/86/88/915918688.db2.gz AUTCWSHYJSBXRO-UHFFFAOYSA-N -1 3 394.198 3.625 20 0 GHADHM COc1ccc(Br)cc1C1(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000648957990 915948473 /nfs/dbraw/zinc/94/84/73/915948473.db2.gz UUGAGBNTBDBVQK-UHFFFAOYSA-N -1 3 394.240 3.650 20 0 GHADHM C[C@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CC(F)F ZINC000648961764 915949901 /nfs/dbraw/zinc/94/99/01/915949901.db2.gz JYGOMKLZYAZHLB-KSSFIOAISA-N -1 3 390.430 3.661 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)c1ccc2ccccc2c1 ZINC001188508565 916023477 /nfs/dbraw/zinc/02/34/77/916023477.db2.gz XOZNFQFUOMYBSK-SFHVURJKSA-N -1 3 377.506 3.656 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649167219 916049477 /nfs/dbraw/zinc/04/94/77/916049477.db2.gz OXZDTHJILKVAAU-HUUJSLGLSA-N -1 3 378.472 3.558 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001188646860 916075320 /nfs/dbraw/zinc/07/53/20/916075320.db2.gz ISSPPTJNVOMDLQ-UHFFFAOYSA-N -1 3 391.471 3.519 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2F)CC1 ZINC001188647542 916076316 /nfs/dbraw/zinc/07/63/16/916076316.db2.gz ZSUZGIFGXBNPTA-UHFFFAOYSA-N -1 3 382.357 3.821 20 0 GHADHM O=c1ccc2cccc([N-]S(=O)(=O)Cc3cccc(Br)c3)c2[nH]1 ZINC001188686181 916110963 /nfs/dbraw/zinc/11/09/63/916110963.db2.gz CDABRTKYUGDGMW-UHFFFAOYSA-N -1 3 393.262 3.645 20 0 GHADHM Cc1noc(C2(C)CCN(c3c(C(=O)[O-])cnc4c(C)c(C)ccc43)CC2)n1 ZINC000649396735 916138880 /nfs/dbraw/zinc/13/88/80/916138880.db2.gz RGDVVNBPJMPWMS-UHFFFAOYSA-N -1 3 380.448 3.799 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H](C)[C@@H]1OC ZINC001188731575 916163325 /nfs/dbraw/zinc/16/33/25/916163325.db2.gz DIOCPFLRJNWGEZ-VQISRLSMSA-N -1 3 397.434 3.963 20 0 GHADHM CC(C)n1ncc2c1[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)CCC2 ZINC001188969124 916315388 /nfs/dbraw/zinc/31/53/88/916315388.db2.gz QSSNNPWAFBQOKZ-GFCCVEGCSA-N -1 3 389.308 3.522 20 0 GHADHM Cc1nnc2cc([N-]C(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)ccn12 ZINC001189051177 916370499 /nfs/dbraw/zinc/37/04/99/916370499.db2.gz BQPYMACPMIJZRW-UHFFFAOYSA-N -1 3 387.321 3.964 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(Br)cccc2C(C)=O)c1 ZINC001189240090 916486932 /nfs/dbraw/zinc/48/69/32/916486932.db2.gz YYPCPYUMAJXOPV-UHFFFAOYSA-N -1 3 396.262 3.655 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc([N-]C(=O)Nc2nccs2)on1 ZINC001189345503 916570114 /nfs/dbraw/zinc/57/01/14/916570114.db2.gz IBIWYHDDVOFQEX-NSHDSACASA-N -1 3 379.442 3.847 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ncc(C(F)(F)F)cc1Cl ZINC001189408307 916614986 /nfs/dbraw/zinc/61/49/86/916614986.db2.gz FHMNKKVKUDONSZ-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC001189426898 916629998 /nfs/dbraw/zinc/62/99/98/916629998.db2.gz YIDWXPACAFKLCX-UHFFFAOYSA-N -1 3 376.347 3.896 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000294193198 916641817 /nfs/dbraw/zinc/64/18/17/916641817.db2.gz NMOXBADTSZECSW-SGTLLEGYSA-N -1 3 390.842 3.667 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)nnn1C(C)C ZINC000294339191 916750007 /nfs/dbraw/zinc/75/00/07/916750007.db2.gz RZWKYEARRJFMGM-UHFFFAOYSA-N -1 3 380.836 3.731 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)sc1Cl ZINC001189578181 916755869 /nfs/dbraw/zinc/75/58/69/916755869.db2.gz NKCUTNLHGQYONC-AWEZNQCLSA-N -1 3 398.937 3.798 20 0 GHADHM CCOC(=O)c1coc2cc([N-]S(=O)(=O)Cc3cc(F)ccc3F)ccc12 ZINC001189697221 916838395 /nfs/dbraw/zinc/83/83/95/916838395.db2.gz ONBRBSDVZDHMDU-UHFFFAOYSA-N -1 3 395.383 3.830 20 0 GHADHM COc1ccc(CN(C)C(=O)c2cccc(OC(F)(F)F)c2[O-])c(OC)c1 ZINC001189762002 916896278 /nfs/dbraw/zinc/89/62/78/916896278.db2.gz DKZDNGNJZBDUPZ-UHFFFAOYSA-N -1 3 385.338 3.580 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nc(Cl)ccc1Br ZINC001189789531 916924945 /nfs/dbraw/zinc/92/49/45/916924945.db2.gz YXXQXRGMUOVNGJ-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(F)c(Br)c1F ZINC001189825160 916948624 /nfs/dbraw/zinc/94/86/24/916948624.db2.gz YYLCDHAFVODLAT-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c(Cl)n1 ZINC001190100878 917095750 /nfs/dbraw/zinc/09/57/50/917095750.db2.gz YMHONMFWJLOBHV-UHFFFAOYSA-N -1 3 378.812 3.657 20 0 GHADHM CC(C)c1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC001190338577 917268976 /nfs/dbraw/zinc/26/89/76/917268976.db2.gz IOCBJOVXNRHVPA-UHFFFAOYSA-N -1 3 382.404 3.903 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(F)ccc21)c1cc(C(F)(F)F)ccc1F ZINC001190340252 917271803 /nfs/dbraw/zinc/27/18/03/917271803.db2.gz OWSBXICQXRPAEP-ZDUSSCGKSA-N -1 3 393.333 3.786 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nnn1C(C)C ZINC000295418242 917307973 /nfs/dbraw/zinc/30/79/73/917307973.db2.gz SCQHDZLVVRTIJC-OAHLLOKOSA-N -1 3 382.493 3.739 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1c(C)noc1-c1ccccc1 ZINC001190373755 917308601 /nfs/dbraw/zinc/30/86/01/917308601.db2.gz NQXZHSQPAFZLQT-UHFFFAOYSA-N -1 3 385.351 3.925 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC001190449512 917351222 /nfs/dbraw/zinc/35/12/22/917351222.db2.gz UHMGTMLGSYTFIT-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC001190449512 917351236 /nfs/dbraw/zinc/35/12/36/917351236.db2.gz UHMGTMLGSYTFIT-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001190465804 917361628 /nfs/dbraw/zinc/36/16/28/917361628.db2.gz PHSNLCXRKHKRLB-SNVBAGLBSA-N -1 3 399.319 3.766 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H](C)c2ccccc21 ZINC001190592386 917436041 /nfs/dbraw/zinc/43/60/41/917436041.db2.gz GRAGLLMIRYRNHG-MEDUHNTESA-N -1 3 379.865 3.653 20 0 GHADHM O=C(CN[C@H](COc1ccccc1)c1ccccc1)[N-]OCc1ccccc1 ZINC000775398389 917440995 /nfs/dbraw/zinc/44/09/95/917440995.db2.gz YFPJQRKUESDYAJ-JOCHJYFZSA-N -1 3 376.456 3.644 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCC(C)(F)F)cs2)c1 ZINC000295838617 917539139 /nfs/dbraw/zinc/53/91/39/917539139.db2.gz VNWAJCMRDOPLSY-UHFFFAOYSA-N -1 3 397.447 3.504 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2c(F)cc(F)cc21)c1cc(F)c(F)c(F)c1 ZINC001190788039 917565604 /nfs/dbraw/zinc/56/56/04/917565604.db2.gz GNUVSFIUUNNANQ-OAHLLOKOSA-N -1 3 377.334 3.738 20 0 GHADHM O=C([N-]c1ncnc2c1ncn2[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC001191038840 917721267 /nfs/dbraw/zinc/72/12/67/917721267.db2.gz GPXYNWFYYJXVPM-CQSZACIVSA-N -1 3 392.444 3.511 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2F)c1 ZINC001191158072 917791262 /nfs/dbraw/zinc/79/12/62/917791262.db2.gz UDOAAECUXITSEB-UHFFFAOYSA-N -1 3 385.342 3.897 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000296078479 917828329 /nfs/dbraw/zinc/82/83/29/917828329.db2.gz OLBLSTCDHVTSQR-LBPRGKRZSA-N -1 3 397.313 3.686 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC001191249621 917845621 /nfs/dbraw/zinc/84/56/21/917845621.db2.gz YAXHWJZJUCYZEY-UHFFFAOYSA-N -1 3 388.533 3.662 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC12CCCC2 ZINC000652584368 917938538 /nfs/dbraw/zinc/93/85/38/917938538.db2.gz ODQFFRLQYGGVAN-UHFFFAOYSA-N -1 3 388.464 3.785 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1Cl)c1ccc(F)cc1F ZINC001191370725 917972571 /nfs/dbraw/zinc/97/25/71/917972571.db2.gz CWLONOQSAGBJNM-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2F)c2ccco2)cc1 ZINC001191411806 917988698 /nfs/dbraw/zinc/98/86/98/917988698.db2.gz CZYDTUVSIMAFSN-LJQANCHMSA-N -1 3 375.421 3.804 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c1Br ZINC001191438653 918002699 /nfs/dbraw/zinc/00/26/99/918002699.db2.gz DFYBXVOLSGDAMF-ZCFIWIBFSA-N -1 3 394.278 3.994 20 0 GHADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001191476582 918011646 /nfs/dbraw/zinc/01/16/46/918011646.db2.gz RZILVAIKJRQXSH-RXAIFQJESA-N -1 3 381.501 3.780 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC001191711581 918133827 /nfs/dbraw/zinc/13/38/27/918133827.db2.gz LVSNDWJSKBGJDZ-OAHLLOKOSA-N -1 3 395.290 3.655 20 0 GHADHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC ZINC001191779816 918213149 /nfs/dbraw/zinc/21/31/49/918213149.db2.gz OVLDCRJTTHQHNI-CABZTGNLSA-N -1 3 382.309 3.558 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001192167729 918461353 /nfs/dbraw/zinc/46/13/53/918461353.db2.gz QMVXWJOWSVNVOC-NWDGAFQWSA-N -1 3 390.814 3.897 20 0 GHADHM CN(Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1)C(=O)OC(C)(C)C ZINC000296855824 918852757 /nfs/dbraw/zinc/85/27/57/918852757.db2.gz UGJDTADEQVWACT-INIZCTEOSA-N -1 3 379.457 3.633 20 0 GHADHM CN(Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1)C(=O)OC(C)(C)C ZINC000296855824 918852809 /nfs/dbraw/zinc/85/28/09/918852809.db2.gz UGJDTADEQVWACT-INIZCTEOSA-N -1 3 379.457 3.633 20 0 GHADHM COc1ccc(CC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000364052092 919101671 /nfs/dbraw/zinc/10/16/71/919101671.db2.gz NXLNGLABQHCKTK-UHFFFAOYSA-N -1 3 376.456 3.632 20 0 GHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@H]1c1ccncc1 ZINC000297325464 919245815 /nfs/dbraw/zinc/24/58/15/919245815.db2.gz NIYFOAYWXBLLAN-INIZCTEOSA-N -1 3 390.281 3.842 20 0 GHADHM O=C([N-]c1nc2cc(Br)ccn2n1)c1scnc1C1CCCC1 ZINC000297627896 919510330 /nfs/dbraw/zinc/51/03/30/919510330.db2.gz CARNRKZABCEVDK-UHFFFAOYSA-N -1 3 392.282 3.858 20 0 GHADHM COc1cc(/C=C2\NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000020670379 919653119 /nfs/dbraw/zinc/65/31/19/919653119.db2.gz DIKDUBMGFFUSRF-GHXNOFRVSA-N -1 3 395.267 3.970 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(F)cc4[n-]nnc43)cs2)cc1 ZINC000800258089 919794414 /nfs/dbraw/zinc/79/44/14/919794414.db2.gz QJYWDUADSOWOIG-UHFFFAOYSA-N -1 3 398.419 3.976 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(F)cc4nn[n-]c43)cs2)cc1 ZINC000800258089 919794431 /nfs/dbraw/zinc/79/44/31/919794431.db2.gz QJYWDUADSOWOIG-UHFFFAOYSA-N -1 3 398.419 3.976 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(F)cc4n[n-]nc43)cs2)cc1 ZINC000800258089 919794446 /nfs/dbraw/zinc/79/44/46/919794446.db2.gz QJYWDUADSOWOIG-UHFFFAOYSA-N -1 3 398.419 3.976 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1cc(Cl)ccc1Cl ZINC000800258247 919794971 /nfs/dbraw/zinc/79/49/71/919794971.db2.gz SSANEZPIIHTMQN-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1cc(Cl)ccc1Cl ZINC000800258247 919794986 /nfs/dbraw/zinc/79/49/86/919794986.db2.gz SSANEZPIIHTMQN-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1cc(Cl)ccc1Cl ZINC000800258247 919795003 /nfs/dbraw/zinc/79/50/03/919795003.db2.gz SSANEZPIIHTMQN-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1cccc(Cl)c1Cl ZINC000800262013 919799365 /nfs/dbraw/zinc/79/93/65/919799365.db2.gz AXUYSUQXTPBHLT-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1cccc(Cl)c1Cl ZINC000800262013 919799368 /nfs/dbraw/zinc/79/93/68/919799368.db2.gz AXUYSUQXTPBHLT-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1cccc(Cl)c1Cl ZINC000800262013 919799377 /nfs/dbraw/zinc/79/93/77/919799377.db2.gz AXUYSUQXTPBHLT-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM O=c1nc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)[n-]c2ccsc21 ZINC000297947467 920006189 /nfs/dbraw/zinc/00/61/89/920006189.db2.gz ASDYNFBPAGQUSA-SFHVURJKSA-N -1 3 375.881 3.542 20 0 GHADHM CCOc1cc(CNc2ccc(F)c(N3C(=O)CCC3=O)c2)cc(Cl)c1[O-] ZINC000298103772 920210795 /nfs/dbraw/zinc/21/07/95/920210795.db2.gz NRYGKMHZWKMHKT-UHFFFAOYSA-N -1 3 392.814 3.849 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cnc(C2CC2)[n-]c1=O ZINC000900345868 920228082 /nfs/dbraw/zinc/22/80/82/920228082.db2.gz ASACMXMXWLVIKC-ZDUSSCGKSA-N -1 3 389.839 3.523 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000900486777 920340742 /nfs/dbraw/zinc/34/07/42/920340742.db2.gz ACZPCRKPTXRUES-CQSZACIVSA-N -1 3 397.406 3.610 20 0 GHADHM COc1cc([C@@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc2ccccc21 ZINC000900839135 920648766 /nfs/dbraw/zinc/64/87/66/920648766.db2.gz RHCJDAWBKYOOOP-CYBMUJFWSA-N -1 3 379.460 3.771 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)cc2)n1 ZINC000367089508 921916048 /nfs/dbraw/zinc/91/60/48/921916048.db2.gz LNVFWPQIZRWGOY-GOSISDBHSA-N -1 3 375.428 3.502 20 0 GHADHM C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902293253 922066799 /nfs/dbraw/zinc/06/67/99/922066799.db2.gz VMCSKEVVXBGWHS-JPZWVBCYSA-N -1 3 387.863 3.899 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000902376280 922137266 /nfs/dbraw/zinc/13/72/66/922137266.db2.gz LBBBALOWHYQAOB-UHFFFAOYSA-N -1 3 386.517 3.865 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000368451276 922681661 /nfs/dbraw/zinc/68/16/61/922681661.db2.gz VRXHSNIHCVTAJC-GFCCVEGCSA-N -1 3 386.826 3.658 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000903608448 923123685 /nfs/dbraw/zinc/12/36/85/923123685.db2.gz IKJZCLDZPLMYHS-INIZCTEOSA-N -1 3 387.398 3.574 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369743840 923591846 /nfs/dbraw/zinc/59/18/46/923591846.db2.gz QFTQLRQZXLQKAG-NSHDSACASA-N -1 3 394.818 3.723 20 0 GHADHM O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([O-])ccc1Cl ZINC000370143300 923903470 /nfs/dbraw/zinc/90/34/70/923903470.db2.gz TYJXUERVBXALNH-NSHDSACASA-N -1 3 382.794 3.656 20 0 GHADHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(Cl)nc3Cl)c21 ZINC000749181799 924402426 /nfs/dbraw/zinc/40/24/26/924402426.db2.gz AONOYTSYORCJRL-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000677698463 924457875 /nfs/dbraw/zinc/45/78/75/924457875.db2.gz UASNDJCRAWUOAT-UHFFFAOYSA-N -1 3 388.423 3.509 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)c2ccccc2)cc1 ZINC000677854925 924526249 /nfs/dbraw/zinc/52/62/49/924526249.db2.gz FZFZRSIRHRRGNT-OAQYLSRUSA-N -1 3 393.439 3.937 20 0 GHADHM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(Br)s1)C(=O)[O-] ZINC000409447462 924639128 /nfs/dbraw/zinc/63/91/28/924639128.db2.gz SWKQYNMRYCDYGM-QGZVFWFLSA-N -1 3 396.306 3.925 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c([O-])c1 ZINC000409696766 924885355 /nfs/dbraw/zinc/88/53/55/924885355.db2.gz JDITXKHFRNDGPG-UHFFFAOYSA-N -1 3 389.358 3.646 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n[n-]2)o1 ZINC000409827243 925029952 /nfs/dbraw/zinc/02/99/52/925029952.db2.gz ZDEYUGIMDJPOJW-ABAIWWIYSA-N -1 3 390.802 3.882 20 0 GHADHM O=c1[n-]c(SCc2ccc(CO)cc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000679276072 925082864 /nfs/dbraw/zinc/08/28/64/925082864.db2.gz YGHHPBCGOCOUMC-UHFFFAOYSA-N -1 3 398.875 3.959 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680107794 925365412 /nfs/dbraw/zinc/36/54/12/925365412.db2.gz MSFUVIYYSCXHIT-ZDUSSCGKSA-N -1 3 394.226 3.825 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)C2CCCCC2)c1 ZINC000680426576 925474618 /nfs/dbraw/zinc/47/46/18/925474618.db2.gz CIGATYFBSSDSEM-UHFFFAOYSA-N -1 3 383.448 3.878 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F)OCO2 ZINC000410414348 925625322 /nfs/dbraw/zinc/62/53/22/925625322.db2.gz ASSUMTNMUAHOGJ-UHFFFAOYSA-N -1 3 378.208 3.970 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC2(CCC2)C1 ZINC001137429418 925706164 /nfs/dbraw/zinc/70/61/64/925706164.db2.gz WKRPREMMHQNXSO-UHFFFAOYSA-N -1 3 381.657 3.570 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2cccc3c2CN(c2nccs2)C3)[n-]1 ZINC000373152664 925892465 /nfs/dbraw/zinc/89/24/65/925892465.db2.gz NOMOSJQLTXNFFK-UHFFFAOYSA-N -1 3 393.394 3.790 20 0 GHADHM O=c1[n-]c(SCC[C@H]2CCCO2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000682447191 926118842 /nfs/dbraw/zinc/11/88/42/926118842.db2.gz VDVWWUVFHHNBMV-CYBMUJFWSA-N -1 3 376.869 3.836 20 0 GHADHM Cn1cccc1[C@@H]1COCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411551171 926510163 /nfs/dbraw/zinc/51/01/63/926510163.db2.gz LPOGGZGFAJHWBV-HNNXBMFYSA-N -1 3 396.472 3.569 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1[O-] ZINC000411774098 926752691 /nfs/dbraw/zinc/75/26/91/926752691.db2.gz ZKUQJMMNRTUIIE-UHFFFAOYSA-N -1 3 389.473 3.560 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000411901879 926899561 /nfs/dbraw/zinc/89/95/61/926899561.db2.gz FZTVDCLSKKSEEL-LBPRGKRZSA-N -1 3 383.448 3.776 20 0 GHADHM CCc1cc2c(CN[C@H](c3cnn(C)c3)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000374593348 927319927 /nfs/dbraw/zinc/31/99/27/927319927.db2.gz JAYQFFJBMRPYNP-QHCPKHFHSA-N -1 3 389.455 3.674 20 0 GHADHM CC(C)(C(=O)N=c1[nH][n-]cc1Br)c1cccc(C(F)(F)F)c1 ZINC000412349806 927365289 /nfs/dbraw/zinc/36/52/89/927365289.db2.gz VNZYBEVJNTZOOQ-UHFFFAOYSA-N -1 3 376.176 3.529 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000750102137 927433586 /nfs/dbraw/zinc/43/35/86/927433586.db2.gz OSUVWQOHVLIPJW-UHFFFAOYSA-N -1 3 396.424 3.502 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Br)cnc1Cl ZINC000750566590 927721517 /nfs/dbraw/zinc/72/15/17/927721517.db2.gz MKXCZVZFQAFSHC-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM C[C@@H]1CC(C)(C)CN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000412765657 927820169 /nfs/dbraw/zinc/82/01/69/927820169.db2.gz AWCUOZYQVUUACC-OXQOHEQNSA-N -1 3 380.488 3.900 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000751188003 928067260 /nfs/dbraw/zinc/06/72/60/928067260.db2.gz HZSKKMFUHMLCAK-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000375236238 928077970 /nfs/dbraw/zinc/07/79/70/928077970.db2.gz FKHIJFFVZGNUAG-UHFFFAOYSA-N -1 3 397.475 3.983 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1Cl)c1c(Cl)cccc1Cl ZINC000751441818 928195411 /nfs/dbraw/zinc/19/54/11/928195411.db2.gz RGWRWVMYKOJCGR-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCCC(F)(F)F)ccc1F ZINC000751669663 928313798 /nfs/dbraw/zinc/31/37/98/928313798.db2.gz XANMSSOIBFPYGL-UHFFFAOYSA-N -1 3 399.406 3.792 20 0 GHADHM CCCN(C)[C@H](CN=c1[n-]c(C2CCOCC2)no1)c1ccc(Cl)cc1 ZINC000413280057 928392561 /nfs/dbraw/zinc/39/25/61/928392561.db2.gz LCOCVGWKKGBXJI-QGZVFWFLSA-N -1 3 378.904 3.534 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000752419898 928818412 /nfs/dbraw/zinc/81/84/12/928818412.db2.gz NRSURDAYRUJCBG-CYBMUJFWSA-N -1 3 375.856 3.561 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)c(=O)[n-]1 ZINC000544125630 928836986 /nfs/dbraw/zinc/83/69/86/928836986.db2.gz NEBWNYJDVCDKFK-ZDUSSCGKSA-N -1 3 396.422 3.982 20 0 GHADHM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)c1 ZINC000467428355 929060389 /nfs/dbraw/zinc/06/03/89/929060389.db2.gz KBMSXYGIXWTDFJ-UHFFFAOYSA-N -1 3 398.488 3.510 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000544553159 929281160 /nfs/dbraw/zinc/28/11/60/929281160.db2.gz ILHDLVFGGJDOMB-QWHCGFSZSA-N -1 3 395.484 3.912 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467711899 929326878 /nfs/dbraw/zinc/32/68/78/929326878.db2.gz WNKUQHBRYXWBGT-UHFFFAOYSA-N -1 3 380.354 3.993 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCc3c([nH]c4c3cccc4F)C2)c1 ZINC000467780178 929403672 /nfs/dbraw/zinc/40/36/72/929403672.db2.gz MACCVCJTRAVNFK-UHFFFAOYSA-N -1 3 381.407 3.560 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000467794069 929429002 /nfs/dbraw/zinc/42/90/02/929429002.db2.gz YMXSFBQOEHILLU-WMZOPIPTSA-N -1 3 383.872 3.986 20 0 GHADHM COc1ccc(C[C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000469158098 929640038 /nfs/dbraw/zinc/64/00/38/929640038.db2.gz AZRCYHJWCOOOIR-CQSZACIVSA-N -1 3 375.440 3.619 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)ccc1F ZINC000469174097 929654505 /nfs/dbraw/zinc/65/45/05/929654505.db2.gz VTHZRYODYKNLCV-MRXNPFEDSA-N -1 3 391.386 3.676 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@@H](OC(C)C)C3(C)C)cc2)cc(=O)[n-]1 ZINC000545913502 929668849 /nfs/dbraw/zinc/66/88/49/929668849.db2.gz FFRLQDVOLAQQSB-QZTJIDSGSA-N -1 3 384.480 3.871 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000469234924 929720576 /nfs/dbraw/zinc/72/05/76/929720576.db2.gz SUPCJWPYXBKJHL-AWEZNQCLSA-N -1 3 397.849 3.614 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1N ZINC000545984838 929746620 /nfs/dbraw/zinc/74/66/20/929746620.db2.gz ZXRCSSGZECOUCA-UHFFFAOYSA-N -1 3 376.338 3.740 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000469395913 929848068 /nfs/dbraw/zinc/84/80/68/929848068.db2.gz QMXRXQAZMJLSPO-LJQANCHMSA-N -1 3 384.451 3.508 20 0 GHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000546150964 929907152 /nfs/dbraw/zinc/90/71/52/929907152.db2.gz YIJAHDHRVRSQTN-UHFFFAOYSA-N -1 3 391.460 3.634 20 0 GHADHM CCS[C@H](C)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546485534 930207274 /nfs/dbraw/zinc/20/72/74/930207274.db2.gz LQHPBBVFRFVUMR-NXEZZACHSA-N -1 3 375.903 3.577 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)c(=O)[n-]1 ZINC000469939076 930268011 /nfs/dbraw/zinc/26/80/11/930268011.db2.gz ODEBLRVWYJQJFN-JTQLQIEISA-N -1 3 380.275 3.794 20 0 GHADHM CCCCOc1ccccc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759269802 930325627 /nfs/dbraw/zinc/32/56/27/930325627.db2.gz XGOIFRDBAOHNBT-UHFFFAOYSA-N -1 3 395.452 3.733 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000759772439 930483707 /nfs/dbraw/zinc/48/37/07/930483707.db2.gz JESRHAVGHMNDPC-OAHLLOKOSA-N -1 3 377.920 3.896 20 0 GHADHM O=C(CCC(=O)c1ccc(Cl)cn1)Nc1cc(Br)ccc1[O-] ZINC000470381633 930573850 /nfs/dbraw/zinc/57/38/50/930573850.db2.gz FSYPZGJOVNKMHO-UHFFFAOYSA-N -1 3 383.629 3.805 20 0 GHADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])cnc1N1CCCC[C@@H]1C ZINC000780779876 930597178 /nfs/dbraw/zinc/59/71/78/930597178.db2.gz CVYRDVCJAYRQGY-AWEZNQCLSA-N -1 3 377.448 3.670 20 0 GHADHM CCOc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000547268122 930864738 /nfs/dbraw/zinc/86/47/38/930864738.db2.gz IRLKYWGVRFMURK-QGZVFWFLSA-N -1 3 388.895 3.791 20 0 GHADHM COc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cc(OC)c1[O-] ZINC000547271452 930869701 /nfs/dbraw/zinc/86/97/01/930869701.db2.gz PEZPBDFWKXOZRV-PREGVCBESA-N -1 3 377.481 3.609 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(F)c(C)c3N)nc(=O)c2c1C ZINC000781798878 930986392 /nfs/dbraw/zinc/98/63/92/930986392.db2.gz LILFAVTXQVTMLQ-SECBINFHSA-N -1 3 375.425 3.961 20 0 GHADHM O=C(OCc1cc(F)ccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000782257266 931143640 /nfs/dbraw/zinc/14/36/40/931143640.db2.gz WOXCCLDUNHUQBP-MRXNPFEDSA-N -1 3 377.799 3.533 20 0 GHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cn(-c2cccc(Cl)c2)nn1 ZINC000782507499 931247181 /nfs/dbraw/zinc/24/71/81/931247181.db2.gz MNAHTLZLIYHINT-UHFFFAOYSA-N -1 3 391.243 3.831 20 0 GHADHM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000557178991 931248908 /nfs/dbraw/zinc/24/89/08/931248908.db2.gz PSHOPYBUELNVSS-YWZLYKJASA-N -1 3 377.440 3.696 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1-c1nccs1 ZINC000782700545 931307639 /nfs/dbraw/zinc/30/76/39/931307639.db2.gz KUVBLGDIDVQMFN-UHFFFAOYSA-N -1 3 396.428 3.663 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000782996255 931381256 /nfs/dbraw/zinc/38/12/56/931381256.db2.gz DSSXIXGRPBBCMU-SJFMBGHLSA-N -1 3 399.443 3.783 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000782996251 931381389 /nfs/dbraw/zinc/38/13/89/931381389.db2.gz DSSXIXGRPBBCMU-DRUFCSCSSA-N -1 3 399.443 3.783 20 0 GHADHM COc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1 ZINC000783679180 931615529 /nfs/dbraw/zinc/61/55/29/931615529.db2.gz JYXLQVVGEBVCKK-MHWRWJLKSA-N -1 3 377.425 3.542 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000697592818 931686727 /nfs/dbraw/zinc/68/67/27/931686727.db2.gz VHWYUZALILJQKP-GFCCVEGCSA-N -1 3 392.887 3.711 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000784495424 931913537 /nfs/dbraw/zinc/91/35/37/931913537.db2.gz SLDVGUFKJJBFED-UHFFFAOYSA-N -1 3 396.399 3.755 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000796686868 932030344 /nfs/dbraw/zinc/03/03/44/932030344.db2.gz JYQBSDDXWOTYHC-NSHDSACASA-N -1 3 377.384 3.590 20 0 GHADHM Cc1ccc2c(c1)CC[C@H](C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)O2 ZINC000796724900 932045190 /nfs/dbraw/zinc/04/51/90/932045190.db2.gz INDKGMNVZQRIJY-LJQANCHMSA-N -1 3 376.412 3.765 20 0 GHADHM Cc1ccoc1[C@H](Cc1ccccc1Cl)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000926813495 932316909 /nfs/dbraw/zinc/31/69/09/932316909.db2.gz QJENTIIFHTUBAT-SFHVURJKSA-N -1 3 399.878 3.883 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927267774 932471047 /nfs/dbraw/zinc/47/10/47/932471047.db2.gz SJMMCDQNMCWMTA-GFCCVEGCSA-N -1 3 382.151 3.661 20 0 GHADHM CCC(CC)c1nnc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)s1 ZINC000559280208 932574307 /nfs/dbraw/zinc/57/43/07/932574307.db2.gz FNDQOKYXGFJJRR-UHFFFAOYSA-N -1 3 390.440 3.683 20 0 GHADHM CC[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(C)cc1 ZINC000798349760 932608195 /nfs/dbraw/zinc/60/81/95/932608195.db2.gz BNHOCNSAYGETJV-INIZCTEOSA-N -1 3 385.430 3.546 20 0 GHADHM O=C([N-]CC1CCN(C(=S)Nc2ccc3ccccc3c2)CC1)C(F)(F)F ZINC000798373678 932619321 /nfs/dbraw/zinc/61/93/21/932619321.db2.gz LTIRKMCLIXLCMI-UHFFFAOYSA-N -1 3 395.450 3.927 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CC(C)(C)OC3(C)C)cc2)cc(=O)[n-]1 ZINC000927614768 932621237 /nfs/dbraw/zinc/62/12/37/932621237.db2.gz FFKCVFBEZBIWNN-HNNXBMFYSA-N -1 3 384.480 3.873 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798402059 932631686 /nfs/dbraw/zinc/63/16/86/932631686.db2.gz MZRLYIFGGFIBAJ-HOTGVXAUSA-N -1 3 391.478 3.691 20 0 GHADHM Cc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Br)c1 ZINC000798956145 932838431 /nfs/dbraw/zinc/83/84/31/932838431.db2.gz JGNRTPVTGNBOPE-UHFFFAOYSA-N -1 3 393.247 3.648 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000799093351 932875995 /nfs/dbraw/zinc/87/59/95/932875995.db2.gz PKZBLPBEZDPLOW-UHFFFAOYSA-N -1 3 389.249 3.730 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000799094337 932876315 /nfs/dbraw/zinc/87/63/15/932876315.db2.gz KCOVKPUQCWBVIX-UHFFFAOYSA-N -1 3 386.448 3.833 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000799783858 933118403 /nfs/dbraw/zinc/11/84/03/933118403.db2.gz KQGDFPBKOIFTOC-MRXNPFEDSA-N -1 3 376.497 3.722 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000560254609 933161085 /nfs/dbraw/zinc/16/10/85/933161085.db2.gz VKODABLYBUBWQG-UHFFFAOYSA-N -1 3 386.517 3.505 20 0 GHADHM COc1ccc2c(c1)c(C(=O)Nc1ccc(-c3nnn[n-]3)cc1)c(C)n2C1CC1 ZINC001115991653 933272228 /nfs/dbraw/zinc/27/22/28/933272228.db2.gz GPXKTGORGZSTFC-UHFFFAOYSA-N -1 3 388.431 3.726 20 0 GHADHM COc1ccc2c(c1)c(C(=O)Nc1ccc(-c3nn[n-]n3)cc1)c(C)n2C1CC1 ZINC001115991653 933272231 /nfs/dbraw/zinc/27/22/31/933272231.db2.gz GPXKTGORGZSTFC-UHFFFAOYSA-N -1 3 388.431 3.726 20 0 GHADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000560510352 933300222 /nfs/dbraw/zinc/30/02/22/933300222.db2.gz JZGHYKVEMDQUMD-YACGNSKGSA-N -1 3 395.684 3.862 20 0 GHADHM CC[C@@H](C(=O)N=c1[nH][n-]cc1Br)c1cccc(C(F)(F)F)c1 ZINC000560550067 933334223 /nfs/dbraw/zinc/33/42/23/933334223.db2.gz IAHQIJGQAWFBND-SNVBAGLBSA-N -1 3 376.176 3.745 20 0 GHADHM CCOC(=O)c1sc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)nc1C ZINC001116216193 933410119 /nfs/dbraw/zinc/41/01/19/933410119.db2.gz OSKIUBXOGUXPKY-UHFFFAOYSA-N -1 3 388.823 3.690 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccn1 ZINC001116265798 933445111 /nfs/dbraw/zinc/44/51/11/933445111.db2.gz QLMFQIRCVOWUEO-AWEZNQCLSA-N -1 3 387.274 3.803 20 0 GHADHM COc1ccc2[nH]c(C)c(C(=O)NCc3ccc([O-])c(Br)c3)c2c1 ZINC001116343272 933495630 /nfs/dbraw/zinc/49/56/30/933495630.db2.gz AKVGJIGNXLZWBB-UHFFFAOYSA-N -1 3 389.249 3.883 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCC(C(=O)c4cccs4)CC3)cc(=O)oc12 ZINC001116344326 933497481 /nfs/dbraw/zinc/49/74/81/933497481.db2.gz KFGIXPDUWXVHQA-UHFFFAOYSA-N -1 3 383.469 3.963 20 0 GHADHM CC(C)c1nc(CN[C@@H](Cc2cccc(Br)c2)C(=O)[O-])cs1 ZINC001116780443 933751891 /nfs/dbraw/zinc/75/18/91/933751891.db2.gz OVIKSNUQDTYUJV-AWEZNQCLSA-N -1 3 383.311 3.815 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H]4CCCN4c4ccccc43)c[n-]c12 ZINC000561129135 933894727 /nfs/dbraw/zinc/89/47/27/933894727.db2.gz IWQJXURYBWYBLQ-HNNXBMFYSA-N -1 3 377.419 3.605 20 0 GHADHM CCOc1ccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)cc1 ZINC000561142625 933913053 /nfs/dbraw/zinc/91/30/53/933913053.db2.gz ZIMGVIRFPOOPIM-NRFANRHFSA-N -1 3 389.455 3.978 20 0 GHADHM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc([O-])ccc3Cl)c2)n1 ZINC001117671152 933976266 /nfs/dbraw/zinc/97/62/66/933976266.db2.gz ZDPWSNJFPQDFAL-UHFFFAOYSA-N -1 3 385.807 3.660 20 0 GHADHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c([O-])ccc(Br)c1C ZINC001117776198 934018248 /nfs/dbraw/zinc/01/82/48/934018248.db2.gz YBMTYCNQGWWGKF-LLVKDONJSA-N -1 3 387.274 3.705 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1CCC(OC[C@H]2CCCO2)CC1 ZINC000561302825 934036942 /nfs/dbraw/zinc/03/69/42/934036942.db2.gz HJFNNWSXTFLMKV-PESDSKBTSA-N -1 3 398.297 3.848 20 0 GHADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000930670915 934172444 /nfs/dbraw/zinc/17/24/44/934172444.db2.gz OONIDVCXOMKKJT-SZNDQCEHSA-N -1 3 398.409 3.704 20 0 GHADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000561520049 934235909 /nfs/dbraw/zinc/23/59/09/934235909.db2.gz WGUROXVGUCATCU-LBPRGKRZSA-N -1 3 388.411 3.581 20 0 GHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538066 934252837 /nfs/dbraw/zinc/25/28/37/934252837.db2.gz HYJBXQRKHDMPJB-ZWNOBZJWSA-N -1 3 399.406 3.596 20 0 GHADHM CCC(C)(C)[C@H]1CCc2nc([N-]C(=O)c3cc(C(=O)OC)on3)sc2C1 ZINC000561641872 934331503 /nfs/dbraw/zinc/33/15/03/934331503.db2.gz ZWHWBCAIHXHSJI-JTQLQIEISA-N -1 3 377.466 3.711 20 0 GHADHM CC[C@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC[C@H]1c1ccccc1 ZINC001149085433 934347746 /nfs/dbraw/zinc/34/77/46/934347746.db2.gz ACNONASPZRJHBP-AZUAARDMSA-N -1 3 394.515 3.863 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000931318584 934502101 /nfs/dbraw/zinc/50/21/01/934502101.db2.gz NQXLFYRZHOUULK-MRVPVSSYSA-N -1 3 392.246 3.924 20 0 GHADHM Cn1ccnc1[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC001120926277 934536824 /nfs/dbraw/zinc/53/68/24/934536824.db2.gz CDJMYHJNIAAFOA-KRWDZBQOSA-N -1 3 396.516 3.605 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1-n1cccn1 ZINC000778025683 934713574 /nfs/dbraw/zinc/71/35/74/934713574.db2.gz ZKGPSBXBLMVRED-LLVKDONJSA-N -1 3 397.287 3.614 20 0 GHADHM O=C(OC[C@@]1(c2ccccc2)CCC(=O)NC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123064943 935070554 /nfs/dbraw/zinc/07/05/54/935070554.db2.gz TXXQIANFBDABCW-OAQYLSRUSA-N -1 3 399.397 3.505 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1N1CCSC2(CCCCC2)C1 ZINC001573279321 946637507 /nfs/dbraw/zinc/63/75/07/946637507.db2.gz HPZHGAUGFMVCNJ-UHFFFAOYSA-N -1 3 394.342 3.885 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1N1CCSC2(CCCCC2)C1 ZINC001573279321 946637513 /nfs/dbraw/zinc/63/75/13/946637513.db2.gz HPZHGAUGFMVCNJ-UHFFFAOYSA-N -1 3 394.342 3.885 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1 ZINC001573361675 947693442 /nfs/dbraw/zinc/69/34/42/947693442.db2.gz DPSRAZRHYDETKG-YRNVUSSQSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1 ZINC001573361675 947693449 /nfs/dbraw/zinc/69/34/49/947693449.db2.gz DPSRAZRHYDETKG-YRNVUSSQSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccco1 ZINC001573362332 947703752 /nfs/dbraw/zinc/70/37/52/947703752.db2.gz JOLGQKDDQYKCPK-RAXLEYEMSA-N -1 3 388.387 3.689 20 0 GHADHM CC(=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccco1 ZINC001573362332 947703756 /nfs/dbraw/zinc/70/37/56/947703756.db2.gz JOLGQKDDQYKCPK-RAXLEYEMSA-N -1 3 388.387 3.689 20 0 GHADHM CC(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)=C1CCCC1 ZINC001573755355 948762913 /nfs/dbraw/zinc/76/29/13/948762913.db2.gz CCSUFUPUEDCCJC-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM CC(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)=C1CCCC1 ZINC001573755355 948762923 /nfs/dbraw/zinc/76/29/23/948762923.db2.gz CCSUFUPUEDCCJC-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM CC(C)c1csc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)n1 ZINC001574424486 948854139 /nfs/dbraw/zinc/85/41/39/948854139.db2.gz NBQCERNNVWSURM-UHFFFAOYSA-N -1 3 382.493 3.897 20 0 GHADHM CC(C)c1csc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)n1 ZINC001574424486 948854163 /nfs/dbraw/zinc/85/41/63/948854163.db2.gz NBQCERNNVWSURM-UHFFFAOYSA-N -1 3 382.493 3.897 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC001575501458 949012099 /nfs/dbraw/zinc/01/20/99/949012099.db2.gz HTPIRIHEDNUFKT-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC001575501458 949012119 /nfs/dbraw/zinc/01/21/19/949012119.db2.gz HTPIRIHEDNUFKT-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001574694755 949090840 /nfs/dbraw/zinc/09/08/40/949090840.db2.gz VXQKXGKHPWGIIW-AWEZNQCLSA-N -1 3 397.454 3.544 20 0 GHADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001574694755 949090859 /nfs/dbraw/zinc/09/08/59/949090859.db2.gz VXQKXGKHPWGIIW-AWEZNQCLSA-N -1 3 397.454 3.544 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Cl)c2ncccc12 ZINC001575513876 949154116 /nfs/dbraw/zinc/15/41/16/949154116.db2.gz UBACNNOZHKQYHL-GFCCVEGCSA-N -1 3 392.850 3.902 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Cl)c2ncccc12 ZINC001575513876 949154130 /nfs/dbraw/zinc/15/41/30/949154130.db2.gz UBACNNOZHKQYHL-GFCCVEGCSA-N -1 3 392.850 3.902 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)CC[C@H]3CCCO3)c2-c2nnn[n-]2)C1 ZINC001574100299 949191770 /nfs/dbraw/zinc/19/17/70/949191770.db2.gz UJZCLBOGLIFCCI-QWHCGFSZSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)CC[C@H]3CCCO3)c2-c2nn[n-]n2)C1 ZINC001574100299 949191778 /nfs/dbraw/zinc/19/17/78/949191778.db2.gz UJZCLBOGLIFCCI-QWHCGFSZSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C(=O)Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788786 949216894 /nfs/dbraw/zinc/21/68/94/949216894.db2.gz XQKMKIWFUBZZJQ-UHFFFAOYSA-N -1 3 393.495 3.629 20 0 GHADHM CC(C)(C(=O)Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788786 949216917 /nfs/dbraw/zinc/21/69/17/949216917.db2.gz XQKMKIWFUBZZJQ-UHFFFAOYSA-N -1 3 393.495 3.629 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CC1 ZINC001575856913 949254566 /nfs/dbraw/zinc/25/45/66/949254566.db2.gz LDNVYCVSDKOZAE-UHFFFAOYSA-N -1 3 386.459 3.542 20 0 GHADHM CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574464374 949412390 /nfs/dbraw/zinc/41/23/90/949412390.db2.gz MIMGLMARWCWWJB-UHFFFAOYSA-N -1 3 396.842 3.545 20 0 GHADHM CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574464374 949412403 /nfs/dbraw/zinc/41/24/03/949412403.db2.gz MIMGLMARWCWWJB-UHFFFAOYSA-N -1 3 396.842 3.545 20 0 GHADHM CC(C)C[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001574144259 949905959 /nfs/dbraw/zinc/90/59/59/949905959.db2.gz MQMNSGDOWHXOAW-OAHLLOKOSA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)C[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001574144259 949905990 /nfs/dbraw/zinc/90/59/90/949905990.db2.gz MQMNSGDOWHXOAW-OAHLLOKOSA-N -1 3 379.464 3.610 20 0 GHADHM CCCN(Cc1ccccc1Br)CC1(O)CCC(C(=O)[O-])CC1 ZINC001589673963 949967766 /nfs/dbraw/zinc/96/77/66/949967766.db2.gz YVSBYWYGPSLBGL-UHFFFAOYSA-N -1 3 384.314 3.667 20 0 GHADHM C[C@H](CC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(F)cc1F ZINC001574491940 950048397 /nfs/dbraw/zinc/04/83/97/950048397.db2.gz HEAYCSJLEAPGLF-BLVKFPJESA-N -1 3 397.429 3.832 20 0 GHADHM C[C@H](CC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1F ZINC001574491940 950048423 /nfs/dbraw/zinc/04/84/23/950048423.db2.gz HEAYCSJLEAPGLF-BLVKFPJESA-N -1 3 397.429 3.832 20 0 GHADHM C[C@H]1CCN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC12CCCCC2 ZINC001576182363 950052165 /nfs/dbraw/zinc/05/21/65/950052165.db2.gz ZGKICECSVWUPTL-INIZCTEOSA-N -1 3 381.524 3.963 20 0 GHADHM C[C@H]1CCN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC12CCCCC2 ZINC001576182363 950052188 /nfs/dbraw/zinc/05/21/88/950052188.db2.gz ZGKICECSVWUPTL-INIZCTEOSA-N -1 3 381.524 3.963 20 0 GHADHM CC(C)(C)CN1CCC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC001573846292 950244475 /nfs/dbraw/zinc/24/44/75/950244475.db2.gz PYQDAMZDXNJQNY-CQSZACIVSA-N -1 3 379.917 3.649 20 0 GHADHM CC(C)(C)CN1CCC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC001573846292 950244491 /nfs/dbraw/zinc/24/44/91/950244491.db2.gz PYQDAMZDXNJQNY-CQSZACIVSA-N -1 3 379.917 3.649 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573853160 950318388 /nfs/dbraw/zinc/31/83/88/950318388.db2.gz MJGHXYFJKUMFIO-UHFFFAOYSA-N -1 3 389.525 3.996 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573853160 950318406 /nfs/dbraw/zinc/31/84/06/950318406.db2.gz MJGHXYFJKUMFIO-UHFFFAOYSA-N -1 3 389.525 3.996 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@@H]2C[C@H]2C)C1 ZINC001574167642 950488909 /nfs/dbraw/zinc/48/89/09/950488909.db2.gz GTEKZDXASHQXEH-RVKKMQEKSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@@H]2C[C@H]2C)C1 ZINC001574167642 950488919 /nfs/dbraw/zinc/48/89/19/950488919.db2.gz GTEKZDXASHQXEH-RVKKMQEKSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC001574168575 950517597 /nfs/dbraw/zinc/51/75/97/950517597.db2.gz ZBQIAAKOXGXOGE-UHFFFAOYSA-N -1 3 391.475 3.754 20 0 GHADHM CC(C)CC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC001574168575 950517612 /nfs/dbraw/zinc/51/76/12/950517612.db2.gz ZBQIAAKOXGXOGE-UHFFFAOYSA-N -1 3 391.475 3.754 20 0 GHADHM CC(C)(C)Oc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573876530 950675566 /nfs/dbraw/zinc/67/55/66/950675566.db2.gz PKCLLBXHJCCXFL-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM CC(C)(C)Oc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573876530 950675582 /nfs/dbraw/zinc/67/55/82/950675582.db2.gz PKCLLBXHJCCXFL-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3cc4ccccc4cc3-c3nnn[n-]3)ccn2)C1 ZINC001576216408 950731002 /nfs/dbraw/zinc/73/10/02/950731002.db2.gz YWKRKPWPQKTRDQ-CQSZACIVSA-N -1 3 399.458 3.513 20 0 GHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3cc4ccccc4cc3-c3nn[n-]n3)ccn2)C1 ZINC001576216408 950731015 /nfs/dbraw/zinc/73/10/15/950731015.db2.gz YWKRKPWPQKTRDQ-CQSZACIVSA-N -1 3 399.458 3.513 20 0 GHADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574520712 950746088 /nfs/dbraw/zinc/74/60/88/950746088.db2.gz XQZRIKCRDHLBBM-JTQLQIEISA-N -1 3 387.802 3.507 20 0 GHADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574520712 950746103 /nfs/dbraw/zinc/74/61/03/950746103.db2.gz XQZRIKCRDHLBBM-JTQLQIEISA-N -1 3 387.802 3.507 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3Cc4ccccc4C3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576216872 950746189 /nfs/dbraw/zinc/74/61/89/950746189.db2.gz JUPOQOFRLJSCKJ-NEPJUHHUSA-N -1 3 393.516 3.968 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3Cc4ccccc4C3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576216872 950746214 /nfs/dbraw/zinc/74/62/14/950746214.db2.gz JUPOQOFRLJSCKJ-NEPJUHHUSA-N -1 3 393.516 3.968 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1Cl ZINC001573882081 950768335 /nfs/dbraw/zinc/76/83/35/950768335.db2.gz QZSBCDXJWRTJOM-MRXNPFEDSA-N -1 3 395.894 3.715 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1Cl ZINC001573882081 950768347 /nfs/dbraw/zinc/76/83/47/950768347.db2.gz QZSBCDXJWRTJOM-MRXNPFEDSA-N -1 3 395.894 3.715 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)Nc3cc(F)cc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001573882054 950770627 /nfs/dbraw/zinc/77/06/27/950770627.db2.gz POVYJUQLLHSZAI-UHFFFAOYSA-N -1 3 379.439 3.974 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)Nc3cc(F)cc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001573882054 950770638 /nfs/dbraw/zinc/77/06/38/950770638.db2.gz POVYJUQLLHSZAI-UHFFFAOYSA-N -1 3 379.439 3.974 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574183962 950772880 /nfs/dbraw/zinc/77/28/80/950772880.db2.gz CIZSIVVLZLUVDU-PKOBYXMFSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574183962 950772892 /nfs/dbraw/zinc/77/28/92/950772892.db2.gz CIZSIVVLZLUVDU-PKOBYXMFSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001573887443 950845157 /nfs/dbraw/zinc/84/51/57/950845157.db2.gz AXFCYUAOINHSGW-UHFFFAOYSA-N -1 3 397.870 3.739 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001573887443 950845182 /nfs/dbraw/zinc/84/51/82/950845182.db2.gz AXFCYUAOINHSGW-UHFFFAOYSA-N -1 3 397.870 3.739 20 0 GHADHM CC(C)(CC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC001573893686 950898774 /nfs/dbraw/zinc/89/87/74/950898774.db2.gz REPCDMFLPVYXPY-UHFFFAOYSA-N -1 3 389.503 3.941 20 0 GHADHM CC(C)(CC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC001573893686 950898792 /nfs/dbraw/zinc/89/87/92/950898792.db2.gz REPCDMFLPVYXPY-UHFFFAOYSA-N -1 3 389.503 3.941 20 0 GHADHM CCO[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1(CC)CC ZINC001591762198 951206035 /nfs/dbraw/zinc/20/60/35/951206035.db2.gz NCBQAKGJLKPLII-BPQIPLTHSA-N -1 3 378.513 3.654 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001575187945 952445551 /nfs/dbraw/zinc/44/55/51/952445551.db2.gz GDHAKONNLPTWHX-NSHDSACASA-N -1 3 390.274 3.669 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001575187945 952445554 /nfs/dbraw/zinc/44/55/54/952445554.db2.gz GDHAKONNLPTWHX-NSHDSACASA-N -1 3 390.274 3.669 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001575188969 952452286 /nfs/dbraw/zinc/45/22/86/952452286.db2.gz LQEZEDQQTSOKJH-HNNXBMFYSA-N -1 3 393.466 3.591 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001575188969 952452289 /nfs/dbraw/zinc/45/22/89/952452289.db2.gz LQEZEDQQTSOKJH-HNNXBMFYSA-N -1 3 393.466 3.591 20 0 GHADHM Cc1ccc(N2CCC[C@H](NCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594368367 958511104 /nfs/dbraw/zinc/51/11/04/958511104.db2.gz QPHHFLGVSSJCNM-OALUTQOASA-N -1 3 397.519 3.648 20 0 GHADHM CC(C)(C)CN(CC(=O)[O-])Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001588656762 960413092 /nfs/dbraw/zinc/41/30/92/960413092.db2.gz AHHCMCILHHOHAW-UHFFFAOYSA-N -1 3 385.489 3.997 20 0 GHADHM C[C@H](NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314833041 963818276 /nfs/dbraw/zinc/81/82/76/963818276.db2.gz UANRFVOPAKGCSS-STQMWFEESA-N -1 3 383.514 3.529 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000397979078 973045875 /nfs/dbraw/zinc/04/58/75/973045875.db2.gz LNUXEXCVCSBNEV-CJNGLKHVSA-N -1 3 387.867 3.823 20 0 GHADHM C[C@@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])N(C)Cc1ccccc1 ZINC001592664461 979065895 /nfs/dbraw/zinc/06/58/95/979065895.db2.gz DCCOULFYBMTPTN-FXAWDEMLSA-N -1 3 397.519 3.658 20 0 GHADHM CCCN(C)[C@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595836664 982743472 /nfs/dbraw/zinc/74/34/72/982743472.db2.gz HSSXLOMBRCLXRR-LJQANCHMSA-N -1 3 388.895 3.780 20 0 GHADHM CCCN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595889144 982921178 /nfs/dbraw/zinc/92/11/78/982921178.db2.gz ZPDFEHCBCAVSSF-WHLNPGIBSA-N -1 3 378.469 3.599 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC001596254160 983661152 /nfs/dbraw/zinc/66/11/52/983661152.db2.gz CKTJMWMAJSQVCU-HXUWFJFHSA-N -1 3 399.491 3.906 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC001596254156 983661197 /nfs/dbraw/zinc/66/11/97/983661197.db2.gz CJOBWIWRTBVAJU-SFHVURJKSA-N -1 3 389.521 3.671 20 0 GHADHM CCOC(=O)c1csc(CC2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC001596747157 985071933 /nfs/dbraw/zinc/07/19/33/985071933.db2.gz SZRZTASSGPSIIX-GFCCVEGCSA-N -1 3 392.477 3.627 20 0 GHADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC001594503144 985694287 /nfs/dbraw/zinc/69/42/87/985694287.db2.gz VPOFKRJBXZSRPH-WQVCFCJDSA-N -1 3 382.888 3.701 20 0 GHADHM Cc1[nH]c(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001599963541 985848134 /nfs/dbraw/zinc/84/81/34/985848134.db2.gz NRTGLSYXXOSTAO-UHFFFAOYSA-N -1 3 399.491 3.999 20 0 GHADHM CCSc1ccc(CN[C@@](CC)(COC)C(=O)[O-])c(Br)c1 ZINC001597272418 987320971 /nfs/dbraw/zinc/32/09/71/987320971.db2.gz GCSWFOIDFFWGLU-HNNXBMFYSA-N -1 3 376.316 3.531 20 0 GHADHM CCc1[nH]c(CNCc2ccc(C(=O)OCc3ccccc3)cc2)cc1C(=O)[O-] ZINC001597394613 987641780 /nfs/dbraw/zinc/64/17/80/987641780.db2.gz BDMNJKUADCIZIA-UHFFFAOYSA-N -1 3 392.455 3.922 20 0 GHADHM CSc1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2F)N(C)C)cc1 ZINC001599812498 988361696 /nfs/dbraw/zinc/36/16/96/988361696.db2.gz YLVBFVRDOWFNQT-KRWDZBQOSA-N -1 3 391.468 3.670 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001599821787 988526677 /nfs/dbraw/zinc/52/66/77/988526677.db2.gz IPINDKISTKWMPE-MDASCCDHSA-N -1 3 384.501 3.536 20 0 GHADHM CCc1nc(C2CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)n[nH]1 ZINC001597662564 988736404 /nfs/dbraw/zinc/73/64/04/988736404.db2.gz CBYQEDYVLYJKPJ-OAHLLOKOSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1n[nH]c(C2CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC001597662564 988736409 /nfs/dbraw/zinc/73/64/09/988736409.db2.gz CBYQEDYVLYJKPJ-OAHLLOKOSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1oc(CN[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1C(=O)[O-] ZINC001597799675 989384721 /nfs/dbraw/zinc/38/47/21/989384721.db2.gz RPLLQUXAFLHSEK-QVKFZJNVSA-N -1 3 387.476 3.955 20 0 GHADHM CCc1oc(CNCCc2nc(-c3cccc(Cl)c3)no2)cc1C(=O)[O-] ZINC001597806088 989417801 /nfs/dbraw/zinc/41/78/01/989417801.db2.gz XEMKASAILYSXHG-UHFFFAOYSA-N -1 3 375.812 3.576 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001590298008 989726372 /nfs/dbraw/zinc/72/63/72/989726372.db2.gz XYIRODRIDQBBJY-WKILWMFISA-N -1 3 386.448 3.790 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC001590319534 989755554 /nfs/dbraw/zinc/75/55/54/989755554.db2.gz IUJGIZDKHWGAKK-GFCCVEGCSA-N -1 3 383.514 3.813 20 0 GHADHM CCn1nc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001597945951 989930020 /nfs/dbraw/zinc/93/00/20/989930020.db2.gz GLZLORPTJDGABR-DLBZAZTESA-N -1 3 385.414 3.635 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)CN1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001590703027 990433641 /nfs/dbraw/zinc/43/36/41/990433641.db2.gz SSMZECQAXVYSHA-UHFFFAOYSA-N -1 3 391.512 3.564 20 0 GHADHM CC(C)(NCc1ccc(C(=O)[O-])cc1F)[C@@H](O)c1ccc(Br)cc1 ZINC001590871300 990776983 /nfs/dbraw/zinc/77/69/83/990776983.db2.gz MLDOWLJOMHVXID-INIZCTEOSA-N -1 3 396.256 3.888 20 0 GHADHM CC(C)=CCC[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001590921752 990913318 /nfs/dbraw/zinc/91/33/18/990913318.db2.gz JWPDCEMLZYYYOJ-WMZHIEFXSA-N -1 3 386.536 3.995 20 0 GHADHM COc1ccccc1C[C@H](C)N(C)Cc1oc(Br)cc1C(=O)[O-] ZINC001599708909 991336656 /nfs/dbraw/zinc/33/66/56/991336656.db2.gz LVDDDNLFQIRNMC-NSHDSACASA-N -1 3 382.254 3.812 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)N(C)C)cc1 ZINC001591484681 992611786 /nfs/dbraw/zinc/61/17/86/992611786.db2.gz RIHPWJAWLYHCMX-XASXRRJKSA-N -1 3 384.476 3.609 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000468519799 1015772190 /nfs/dbraw/zinc/77/21/90/1015772190.db2.gz UTIAFLZBNGDFOH-GOSISDBHSA-N -1 3 385.435 3.989 20 0 GHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001593190872 994128831 /nfs/dbraw/zinc/12/88/31/994128831.db2.gz XYBPNYOQKDABDA-BBATYDOGSA-N -1 3 392.377 3.701 20 0 GHADHM C[C@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593257528 994529862 /nfs/dbraw/zinc/52/98/62/994529862.db2.gz PJZVMEVORHICHU-STQMWFEESA-N -1 3 383.514 3.529 20 0 GHADHM C[C@@](NCCOC(=O)Cc1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593273004 994616187 /nfs/dbraw/zinc/61/61/87/994616187.db2.gz VQCKQVXCDLTABH-IBGZPJMESA-N -1 3 396.270 3.669 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1C ZINC000545472563 1015913128 /nfs/dbraw/zinc/91/31/28/1015913128.db2.gz LLMFQJNXSHBGCV-UHFFFAOYSA-N -1 3 379.478 3.990 20 0 GHADHM C[C@@H](Oc1ccccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1)C(=O)[O-] ZINC001593644387 995960797 /nfs/dbraw/zinc/96/07/97/995960797.db2.gz JGWNLOALJYLGHU-CYBMUJFWSA-N -1 3 397.397 3.591 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001593686370 996122397 /nfs/dbraw/zinc/12/23/97/996122397.db2.gz OAKKZNISTLVHOL-HNNXBMFYSA-N -1 3 386.448 3.677 20 0 GHADHM C[C@H](c1ccncc1)N1CCC(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001593723481 996259157 /nfs/dbraw/zinc/25/91/57/996259157.db2.gz ZSIOYEBVMFCXAU-GFCCVEGCSA-N -1 3 394.397 3.831 20 0 GHADHM COc1ccc(C(C)(C)CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1OC ZINC001599504307 997184548 /nfs/dbraw/zinc/18/45/48/997184548.db2.gz DDMKWMMYDSWPLT-UHFFFAOYSA-N -1 3 385.460 3.574 20 0 GHADHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cc(OC)c1 ZINC001599405523 997289305 /nfs/dbraw/zinc/28/93/05/997289305.db2.gz BKHVAISCSHWUPM-QGZVFWFLSA-N -1 3 394.265 3.724 20 0 GHADHM COC(=O)c1[nH]c(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1C ZINC001598909675 997337096 /nfs/dbraw/zinc/33/70/96/997337096.db2.gz OUEFIUFHNIZNNK-QGZVFWFLSA-N -1 3 385.247 3.506 20 0 GHADHM COc1cc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)ccc1SC ZINC001599408153 997368914 /nfs/dbraw/zinc/36/89/14/997368914.db2.gz KBWZHNJENMIMNN-JKSUJKDBSA-N -1 3 393.455 3.996 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)ccc1OC(=O)C1CC1 ZINC001599414784 997486736 /nfs/dbraw/zinc/48/67/36/997486736.db2.gz SYCKJWOWKUZBFW-FQEVSTJZSA-N -1 3 383.444 3.543 20 0 GHADHM COc1cc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C ZINC001599415565 997501593 /nfs/dbraw/zinc/50/15/93/997501593.db2.gz CWEQDHUANHBYAL-GOSISDBHSA-N -1 3 378.266 3.856 20 0 GHADHM COc1ccc([C@@H](NCc2ccc3c(c2)CC(C)(C)O3)C(=O)[O-])cc1Cl ZINC001599533073 997694420 /nfs/dbraw/zinc/69/44/20/997694420.db2.gz ZCRMOBPBEQFNNW-GOSISDBHSA-N -1 3 375.852 3.978 20 0 GHADHM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC001599258699 998349569 /nfs/dbraw/zinc/34/95/69/998349569.db2.gz JNUXSGFKTVFCMM-QGZVFWFLSA-N -1 3 384.259 3.934 20 0 GHADHM C[C@@H]1[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001594190662 998741645 /nfs/dbraw/zinc/74/16/45/998741645.db2.gz LCVNEQXQILCUOK-AUUYWEPGSA-N -1 3 392.459 3.651 20 0 GHADHM COC(=O)c1cccc([C@@H](NCc2ccc3cc(OC)ccc3c2)C(=O)[O-])c1 ZINC001598994574 998767334 /nfs/dbraw/zinc/76/73/34/998767334.db2.gz HVVKOHFVWCQTCY-HXUWFJFHSA-N -1 3 379.412 3.551 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001594275196 999064315 /nfs/dbraw/zinc/06/43/15/999064315.db2.gz OXDUVPBNVHBCKP-SKDZVZGDSA-N -1 3 378.900 3.530 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000469024452 1016348256 /nfs/dbraw/zinc/34/82/56/1016348256.db2.gz OEEHHHRQODHDIC-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM CCc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000469055176 1016381352 /nfs/dbraw/zinc/38/13/52/1016381352.db2.gz WCYRUOVXIYUUED-UHFFFAOYSA-N -1 3 391.880 3.572 20 0 GHADHM C[C@@H]([C@H](Oc1n[n-]c(=O)cc1Br)c1ccccc1)N1CCCC1 ZINC001226846045 1032154794 /nfs/dbraw/zinc/15/47/94/1032154794.db2.gz HUSQACRQQRZKPF-LRDDRELGSA-N -1 3 378.270 3.549 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3CCC(CC(=O)OC(C)(C)C)CC3)c2c1 ZINC001154530677 1032167421 /nfs/dbraw/zinc/16/74/21/1032167421.db2.gz SKEUVKWBKQQBIJ-UHFFFAOYSA-N -1 3 384.476 3.833 20 0 GHADHM CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC001154776977 1032280731 /nfs/dbraw/zinc/28/07/31/1032280731.db2.gz OIGFCZFUOQNYGY-HNNXBMFYSA-N -1 3 379.460 3.790 20 0 GHADHM Cc1cc(OCc2ccccc2)c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001154797685 1032288572 /nfs/dbraw/zinc/28/85/72/1032288572.db2.gz YWUADYOAPYRZIY-UHFFFAOYSA-N -1 3 395.484 3.939 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001154862074 1032317213 /nfs/dbraw/zinc/31/72/13/1032317213.db2.gz LYGFOLNNPPTGBY-UHFFFAOYSA-N -1 3 393.850 3.712 20 0 GHADHM O=C([N-]c1cc(Cl)nnc1Cl)c1noc2cc(Br)ccc21 ZINC001154896220 1032333722 /nfs/dbraw/zinc/33/37/22/1032333722.db2.gz HOWZSRGRSWEQCD-UHFFFAOYSA-N -1 3 388.008 3.939 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C(C)(C)CCCc3ccccc3)C2)n1 ZINC001155148052 1032435694 /nfs/dbraw/zinc/43/56/94/1032435694.db2.gz HHHUIEISZUZKIH-IBGZPJMESA-N -1 3 396.535 3.625 20 0 GHADHM Cc1cc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)nc(C)c1Br ZINC001155168634 1032442484 /nfs/dbraw/zinc/44/24/84/1032442484.db2.gz GKRXCYCNNWIPPV-UHFFFAOYSA-N -1 3 380.633 3.638 20 0 GHADHM Cc1cc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)nc(C)c1Br ZINC001155168634 1032442489 /nfs/dbraw/zinc/44/24/89/1032442489.db2.gz GKRXCYCNNWIPPV-UHFFFAOYSA-N -1 3 380.633 3.638 20 0 GHADHM O=C(Nc1ncccc1OCc1ccccc1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155168317 1032442537 /nfs/dbraw/zinc/44/25/37/1032442537.db2.gz AZKDLFKQWVMMSM-UHFFFAOYSA-N -1 3 379.807 3.838 20 0 GHADHM O=C(Nc1ncccc1OCc1ccccc1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155168317 1032442538 /nfs/dbraw/zinc/44/25/38/1032442538.db2.gz AZKDLFKQWVMMSM-UHFFFAOYSA-N -1 3 379.807 3.838 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227588126 1032474680 /nfs/dbraw/zinc/47/46/80/1032474680.db2.gz PBVATVWQYAXXAT-TUAOUCFPSA-N -1 3 395.265 3.518 20 0 GHADHM C[C@@H]1[C@@H](Oc2c([O-])cc(Br)cc2F)CN1C(=O)OC(C)(C)C ZINC001227590732 1032475864 /nfs/dbraw/zinc/47/58/64/1032475864.db2.gz KPQFLQXOHOPWDN-PELKAZGASA-N -1 3 376.222 3.680 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584104 1032473177 /nfs/dbraw/zinc/47/31/77/1032473177.db2.gz QGMJFBYIWQOVNJ-PWSUYJOCSA-N -1 3 376.375 3.830 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227613463 1032486210 /nfs/dbraw/zinc/48/62/10/1032486210.db2.gz UZMBNZGIPXOIFV-MRXNPFEDSA-N -1 3 392.440 3.505 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001155385854 1032527457 /nfs/dbraw/zinc/52/74/57/1032527457.db2.gz WCCHLMRZNGZSRL-JOCHJYFZSA-N -1 3 388.508 3.954 20 0 GHADHM O=C([O-])c1ccc(CN2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cc1 ZINC001204156092 1032608442 /nfs/dbraw/zinc/60/84/42/1032608442.db2.gz WNTOKGBBCDBZEG-XEWABKELSA-N -1 3 382.435 3.621 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@@H](C)c2c(F)cc(Br)cc2F)n1 ZINC001227826998 1032636208 /nfs/dbraw/zinc/63/62/08/1032636208.db2.gz XPDUHWBSNWQWQX-ZETCQYMHSA-N -1 3 388.164 3.755 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000777655941 1017471201 /nfs/dbraw/zinc/47/12/01/1017471201.db2.gz LWMAFRGZEWUATP-UHFFFAOYSA-N -1 3 392.477 3.521 20 0 GHADHM CSCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931619305 1018012499 /nfs/dbraw/zinc/01/24/99/1018012499.db2.gz KLLPJOQREYPLMO-UHFFFAOYSA-N -1 3 393.534 3.589 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cn(C2CCCC2)c2ncnc(Cl)c12 ZINC001155880454 1032761037 /nfs/dbraw/zinc/76/10/37/1032761037.db2.gz IILSUNDTPHGUSD-UHFFFAOYSA-N -1 3 399.764 3.589 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cn(C2CCCC2)c2ncnc(Cl)c12 ZINC001155880454 1032761056 /nfs/dbraw/zinc/76/10/56/1032761056.db2.gz IILSUNDTPHGUSD-UHFFFAOYSA-N -1 3 399.764 3.589 20 0 GHADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562733432 1018583304 /nfs/dbraw/zinc/58/33/04/1018583304.db2.gz AKLXVEOMYYLDNL-GXTWGEPZSA-N -1 3 389.293 3.847 20 0 GHADHM O=C(c1ccc(SCc2ccccc2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000564070435 1019007011 /nfs/dbraw/zinc/00/70/11/1019007011.db2.gz SWKLCZMJPJPLRG-UHFFFAOYSA-N -1 3 377.469 3.673 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001228154153 1032812135 /nfs/dbraw/zinc/81/21/35/1032812135.db2.gz KAOPPAHQWZATDB-FQEVSTJZSA-N -1 3 387.435 3.803 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H]3CCCC3(F)F)n2)cc1 ZINC000569919253 1019536385 /nfs/dbraw/zinc/53/63/85/1019536385.db2.gz UWHHOGUCSKHFEK-IUODEOHRSA-N -1 3 399.463 3.715 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000572641930 1019789630 /nfs/dbraw/zinc/78/96/30/1019789630.db2.gz GAMVPDFNJXMWCT-WZGPROSRSA-N -1 3 398.528 3.600 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000574354615 1019867724 /nfs/dbraw/zinc/86/77/24/1019867724.db2.gz ZKZXYYIBQBCXSW-VFZGTOFNSA-N -1 3 375.343 3.645 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346270 1032899409 /nfs/dbraw/zinc/89/94/09/1032899409.db2.gz CSOSVVUTOQLLGN-ARFHVFGLSA-N -1 3 392.521 3.656 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1ccc(Cl)nc1 ZINC000191879051 1020826205 /nfs/dbraw/zinc/82/62/05/1020826205.db2.gz ZRFSNOHSWAWYSP-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CN1CCN(Cc2cccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)c2)CC1 ZINC001204502665 1032933909 /nfs/dbraw/zinc/93/39/09/1032933909.db2.gz KHPIHAKHEGJIJA-UHFFFAOYSA-N -1 3 385.270 3.724 20 0 GHADHM O=C([O-])CCC1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000901495526 1021417810 /nfs/dbraw/zinc/41/78/10/1021417810.db2.gz JMMVPOXQVLXVIA-UHFFFAOYSA-N -1 3 398.326 3.978 20 0 GHADHM O=C(OCc1ccccc1)c1ccc(-c2nc(CCC3CCOCC3)no2)[n-]1 ZINC000834752635 1021439244 /nfs/dbraw/zinc/43/92/44/1021439244.db2.gz YMWQCIKXVKIUFF-UHFFFAOYSA-N -1 3 381.432 3.781 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001156322351 1032984997 /nfs/dbraw/zinc/98/49/97/1032984997.db2.gz DFSRMQKXUUNOHQ-HXUWFJFHSA-N -1 3 398.469 3.809 20 0 GHADHM Cc1[nH]c(CN2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001140501458 1021877381 /nfs/dbraw/zinc/87/73/81/1021877381.db2.gz YGPOPPVBALEXAK-OAQYLSRUSA-N -1 3 391.512 3.695 20 0 GHADHM CC(C)OCc1ncn2c1CN(Cc1cccc([O-])c1Br)CCC2 ZINC001140548868 1021950052 /nfs/dbraw/zinc/95/00/52/1021950052.db2.gz WHJWBUOIYZNQOW-UHFFFAOYSA-N -1 3 394.313 3.682 20 0 GHADHM CCOC[C@@H]1CN(Cc2cccc([O-])c2Br)Cc2c1cnn2CC ZINC001140549526 1021950624 /nfs/dbraw/zinc/95/06/24/1021950624.db2.gz KGTBMCYEURXTTM-AWEZNQCLSA-N -1 3 394.313 3.507 20 0 GHADHM COc1cc(CN(C)Cc2cccc([O-])c2Br)cc(OC)c1OC ZINC001140550812 1021952725 /nfs/dbraw/zinc/95/27/25/1021952725.db2.gz KHMFBJUNAFBILG-UHFFFAOYSA-N -1 3 396.281 3.813 20 0 GHADHM COc1cccnc1O[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC001140555553 1021958481 /nfs/dbraw/zinc/95/84/81/1021958481.db2.gz NMIIDZAZVQAWNX-CQSZACIVSA-N -1 3 393.281 3.602 20 0 GHADHM Cc1cc(F)cc(-n2nc(C(=O)NCc3ccc([O-])c(F)c3)c3c2CCC3)c1 ZINC001137441805 1022286172 /nfs/dbraw/zinc/28/61/72/1022286172.db2.gz NBATVCOUZOSBEA-UHFFFAOYSA-N -1 3 383.398 3.583 20 0 GHADHM CC[C@@](C)(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)OC ZINC000835957552 1022503231 /nfs/dbraw/zinc/50/32/31/1022503231.db2.gz OXTFWNRQCFBMCR-IBGZPJMESA-N -1 3 395.452 3.598 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](C)c1ccc(Br)cc1 ZINC001228714293 1033059330 /nfs/dbraw/zinc/05/93/30/1033059330.db2.gz PRUFWSWXHIJQHW-SNVBAGLBSA-N -1 3 397.294 3.773 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(Br)c1 ZINC001228714841 1033060703 /nfs/dbraw/zinc/06/07/03/1033060703.db2.gz WQIZPXVYRDIFCY-JTQLQIEISA-N -1 3 397.294 3.773 20 0 GHADHM COc1cc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1[O-] ZINC000754276654 1022577083 /nfs/dbraw/zinc/57/70/83/1022577083.db2.gz PJDDDADCOOFMOF-UHFFFAOYSA-N -1 3 382.416 3.569 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1COCc1ccccc1 ZINC000836289190 1022827136 /nfs/dbraw/zinc/82/71/36/1022827136.db2.gz FOVWSKVOQMZWBV-UHFFFAOYSA-N -1 3 386.448 3.798 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1COCc1ccccc1 ZINC000836289190 1022827151 /nfs/dbraw/zinc/82/71/51/1022827151.db2.gz FOVWSKVOQMZWBV-UHFFFAOYSA-N -1 3 386.448 3.798 20 0 GHADHM Cc1ccnc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)n1 ZINC000755220677 1023136857 /nfs/dbraw/zinc/13/68/57/1023136857.db2.gz FLPJOWCUQSSPAD-UHFFFAOYSA-N -1 3 375.432 3.560 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000836919405 1023466584 /nfs/dbraw/zinc/46/65/84/1023466584.db2.gz IOUBJSVJOZTZMY-OAHLLOKOSA-N -1 3 381.501 3.711 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CCCC1 ZINC000756214675 1023556725 /nfs/dbraw/zinc/55/67/25/1023556725.db2.gz YCFMEZOLHYGQGQ-OAHLLOKOSA-N -1 3 385.892 3.731 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCc3ccccn3)cc2)C(=O)[O-])cc1F ZINC000756366544 1023610419 /nfs/dbraw/zinc/61/04/19/1023610419.db2.gz SZUSBDWAKWCSBN-OAQYLSRUSA-N -1 3 396.418 3.724 20 0 GHADHM O=C([N-]Cc1cccc(COCC(F)(F)F)c1)C(F)(F)c1nccs1 ZINC000756531539 1023701117 /nfs/dbraw/zinc/70/11/17/1023701117.db2.gz XLGLOKPKOFBQFJ-UHFFFAOYSA-N -1 3 380.338 3.630 20 0 GHADHM Cc1cc(C)c(NC(=O)C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c(C)c1 ZINC000756867663 1023840077 /nfs/dbraw/zinc/84/00/77/1023840077.db2.gz IXEHDXWFIRQHNP-UHFFFAOYSA-N -1 3 382.357 3.737 20 0 GHADHM O=C([N-]Cc1nccn1CCc1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000757049226 1023919382 /nfs/dbraw/zinc/91/93/82/1023919382.db2.gz ISJPSFOBGABNAM-UHFFFAOYSA-N -1 3 391.368 3.812 20 0 GHADHM O=C(CCC[C@H](O)c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000830564202 1023985397 /nfs/dbraw/zinc/98/53/97/1023985397.db2.gz CTVAZYGNMWZRCP-INIZCTEOSA-N -1 3 378.266 3.675 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Cc2cccc(F)c2F)CC1 ZINC000837097791 1024019468 /nfs/dbraw/zinc/01/94/68/1024019468.db2.gz BLJYTUZLYGZJGD-UHFFFAOYSA-N -1 3 383.398 3.709 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC001138176488 1024307418 /nfs/dbraw/zinc/30/74/18/1024307418.db2.gz HMJDYZIYAQTNFA-WDEREUQCSA-N -1 3 385.226 3.801 20 0 GHADHM O=C([O-])Cn1cc(CN2CC3(CC(OCc4ccccc4)C3)C2)c2ccccc21 ZINC001138196295 1024344421 /nfs/dbraw/zinc/34/44/21/1024344421.db2.gz ZXBZNAJOSYGVMN-UHFFFAOYSA-N -1 3 390.483 3.907 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1(c2cccc(Br)c2)CC1 ZINC000837408745 1024432747 /nfs/dbraw/zinc/43/27/47/1024432747.db2.gz CAAMOXUPFFPJKR-UHFFFAOYSA-N -1 3 389.249 3.597 20 0 GHADHM COc1ccccc1OCc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000837443199 1024462457 /nfs/dbraw/zinc/46/24/57/1024462457.db2.gz HKNWKOHFPMBWDP-UHFFFAOYSA-N -1 3 396.399 3.597 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301878 1024463840 /nfs/dbraw/zinc/46/38/40/1024463840.db2.gz FKJXEPPXJAYSRU-SNVBAGLBSA-N -1 3 379.338 3.984 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000837538339 1024533623 /nfs/dbraw/zinc/53/36/23/1024533623.db2.gz CQTQKSYXIVBHPQ-KBPBESRZSA-N -1 3 394.349 3.805 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)c1csc([C@@H]2CCCO2)n1 ZINC000837597877 1024574884 /nfs/dbraw/zinc/57/48/84/1024574884.db2.gz JUVLJLWCPJMVDT-HNNXBMFYSA-N -1 3 383.429 3.514 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3CN(Cc3ncccc3[O-])[C@H]2C1 ZINC001138390532 1024766952 /nfs/dbraw/zinc/76/69/52/1024766952.db2.gz ASFNJTLXYQYHIW-HKUYNNGSSA-N -1 3 381.476 3.506 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001141398914 1024883821 /nfs/dbraw/zinc/88/38/21/1024883821.db2.gz MWCRVOZMPPUYBB-HNNXBMFYSA-N -1 3 382.869 3.508 20 0 GHADHM Cc1cc(-n2cncn2)ccc1C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001141437057 1025054142 /nfs/dbraw/zinc/05/41/42/1025054142.db2.gz NFRGZKFYXFMIII-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096364 1033275233 /nfs/dbraw/zinc/27/52/33/1033275233.db2.gz CJSKQRXKJDGPDS-OCCSQVGLSA-N -1 3 393.281 3.860 20 0 GHADHM CN(C[C@H]1CCN(Cc2cccc([O-])c2Br)C1)C(=O)OC(C)(C)C ZINC000838819698 1025386127 /nfs/dbraw/zinc/38/61/27/1025386127.db2.gz NTGDLKKJFVXGHA-CYBMUJFWSA-N -1 3 399.329 3.844 20 0 GHADHM O=C(c1ccc(CNCc2cccc([O-])c2Br)cc1)N1CCCC1 ZINC000838894059 1025423891 /nfs/dbraw/zinc/42/38/91/1025423891.db2.gz YSUHHONGHQHSIR-UHFFFAOYSA-N -1 3 389.293 3.681 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000838994744 1025507364 /nfs/dbraw/zinc/50/73/64/1025507364.db2.gz MADKQZMRZBNQHL-QWHCGFSZSA-N -1 3 399.329 3.890 20 0 GHADHM CCOC(=O)COc1ccc(NCc2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000839012344 1025516547 /nfs/dbraw/zinc/51/65/47/1025516547.db2.gz SMUDWOAPBSZPNS-UHFFFAOYSA-N -1 3 379.840 3.998 20 0 GHADHM Cc1ncc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c(=O)[n-]1 ZINC001162301830 1025706853 /nfs/dbraw/zinc/70/68/53/1025706853.db2.gz CZGVDZSYNVKYKH-LJQANCHMSA-N -1 3 394.438 3.897 20 0 GHADHM C[C@H](CN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(=O)OC(C)(C)C ZINC000839199164 1025718692 /nfs/dbraw/zinc/71/86/92/1025718692.db2.gz LLDNFRRHBDNAQO-LLVKDONJSA-N -1 3 381.856 3.562 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000832661329 1025810659 /nfs/dbraw/zinc/81/06/59/1025810659.db2.gz ULZXWTFXQMPORN-UHFFFAOYSA-N -1 3 380.510 3.634 20 0 GHADHM CS(C)(=O)=Nc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001141623227 1025932467 /nfs/dbraw/zinc/93/24/67/1025932467.db2.gz ZAAXZIOFNZYSPH-UHFFFAOYSA-N -1 3 383.267 3.766 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(Oc3ccccn3)c2)[n-]n1 ZINC001162885136 1025953891 /nfs/dbraw/zinc/95/38/91/1025953891.db2.gz FOSIKJHBWFDVNL-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(Oc3ccccn3)c2)n[n-]1 ZINC001162885136 1025953893 /nfs/dbraw/zinc/95/38/93/1025953893.db2.gz FOSIKJHBWFDVNL-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM Cc1ccc(-c2cc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)[nH]n2)o1 ZINC001163406059 1026182322 /nfs/dbraw/zinc/18/23/22/1026182322.db2.gz JGVSTOPOLFMUNU-UHFFFAOYSA-N -1 3 390.399 3.916 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCC(Nc2[n-]c(=O)c(Cl)cc2Cl)CC1 ZINC001164263875 1026468166 /nfs/dbraw/zinc/46/81/66/1026468166.db2.gz HBTJUJAPXYDPDU-UHFFFAOYSA-N -1 3 384.238 3.950 20 0 GHADHM CCCOc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(OC2CCCC2)c1 ZINC001164322317 1026484823 /nfs/dbraw/zinc/48/48/23/1026484823.db2.gz OEHCXMHIYQPIOC-OAHLLOKOSA-N -1 3 399.491 3.855 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001164347991 1026491382 /nfs/dbraw/zinc/49/13/82/1026491382.db2.gz DRVJRTBJGAJRNB-UHFFFAOYSA-N -1 3 387.848 3.847 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1cncc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC001164395318 1026505691 /nfs/dbraw/zinc/50/56/91/1026505691.db2.gz KOFOQSKWBQZSNR-CYBMUJFWSA-N -1 3 378.354 3.571 20 0 GHADHM O=c1[n-]nc(SCc2ccncc2Br)n1CCc1ccccc1 ZINC001164547707 1026550277 /nfs/dbraw/zinc/55/02/77/1026550277.db2.gz LFTQJSJHQAWSIU-UHFFFAOYSA-N -1 3 391.294 3.676 20 0 GHADHM O=C([N-]Oc1ccc(F)cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001165801135 1026840949 /nfs/dbraw/zinc/84/09/49/1026840949.db2.gz VORMTRGMIOMOAF-GOSISDBHSA-N -1 3 382.357 3.690 20 0 GHADHM CC(C)(C)OC(=O)NCc1cncc(Nc2ncc(Br)cc2[O-])c1 ZINC001203594887 1027461319 /nfs/dbraw/zinc/46/13/19/1027461319.db2.gz LFRGKIZTWOXOGU-UHFFFAOYSA-N -1 3 395.257 3.713 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OCC(F)(F)F)cc1)c1ccccc1N ZINC001210747280 1027635152 /nfs/dbraw/zinc/63/51/52/1027635152.db2.gz YXAWXLACCHPHLP-UHFFFAOYSA-N -1 3 399.394 3.989 20 0 GHADHM COC(=O)N=C([S-])N(c1ccc(OCC(F)(F)F)cc1)c1ccccc1N ZINC001210747280 1027635156 /nfs/dbraw/zinc/63/51/56/1027635156.db2.gz YXAWXLACCHPHLP-UHFFFAOYSA-N -1 3 399.394 3.989 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC001141966597 1027766025 /nfs/dbraw/zinc/76/60/25/1027766025.db2.gz GRZJJSDBDKZIBK-UHFFFAOYSA-N -1 3 396.393 3.782 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc(C(F)(F)F)ccc1F ZINC001211102547 1027790381 /nfs/dbraw/zinc/79/03/81/1027790381.db2.gz INVILDZYOKAHLS-XOKHGSTOSA-N -1 3 385.382 3.851 20 0 GHADHM O=S(=O)([N-]CC1(C2CC2)CC1)c1ccc(Br)cc1C(F)(F)F ZINC001211131795 1027802891 /nfs/dbraw/zinc/80/28/91/1027802891.db2.gz BXBNVSAFRXIDTE-UHFFFAOYSA-N -1 3 398.244 3.936 20 0 GHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1Cl ZINC001211279280 1027883743 /nfs/dbraw/zinc/88/37/43/1027883743.db2.gz RORJDAIUHXQEGJ-UHFFFAOYSA-N -1 3 397.081 3.534 20 0 GHADHM C[C@H]1Cc2cccc(S(=O)(=O)[N-][C@@H](CCc3ccccc3)C(F)(F)F)c2O1 ZINC001211306284 1027902724 /nfs/dbraw/zinc/90/27/24/1027902724.db2.gz QWSJPXUFGONVEB-GUYCJALGSA-N -1 3 399.434 3.852 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)CCC2 ZINC001211401830 1027943236 /nfs/dbraw/zinc/94/32/36/1027943236.db2.gz LXORQCOZBMGQAB-GFCCVEGCSA-N -1 3 393.892 3.655 20 0 GHADHM CCOC(=O)COc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001211421274 1027953020 /nfs/dbraw/zinc/95/30/20/1027953020.db2.gz GBXMRDRFVOFYAX-UHFFFAOYSA-N -1 3 384.201 3.979 20 0 GHADHM CN(C)[C@@H]1CCOc2c(Nc3ccc(NC(=O)CCC(=O)[O-])cc3)cccc21 ZINC001213196123 1028040182 /nfs/dbraw/zinc/04/01/82/1028040182.db2.gz ACKWSPXCNLEHRK-GOSISDBHSA-N -1 3 383.448 3.619 20 0 GHADHM COc1cc(Br)cc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c1 ZINC001213259141 1028073175 /nfs/dbraw/zinc/07/31/75/1028073175.db2.gz PZFHDYTXPBMSOE-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](n2cc(Nc3cc(F)c([O-])c(F)c3)cn2)C1 ZINC001213377333 1028149108 /nfs/dbraw/zinc/14/91/08/1028149108.db2.gz JUKLJIANJWPVEQ-ZDUSSCGKSA-N -1 3 380.395 3.792 20 0 GHADHM Fc1c(I)cccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500226 1028228798 /nfs/dbraw/zinc/22/87/98/1028228798.db2.gz CNAUJQJWGKOPLT-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM O=S(=O)([N-]C1C[C@H]2CC[C@@H](C1)S2)c1cccc(Cl)c1Br ZINC001213905193 1028442942 /nfs/dbraw/zinc/44/29/42/1028442942.db2.gz QZMMJMACVCBUGL-PBINXNQUSA-N -1 3 396.759 3.807 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC12CCCCC2)c1cc(C(F)(F)F)ccc1F ZINC001213928889 1028455187 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3.850 20 0 GHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142443462 1028929195 /nfs/dbraw/zinc/92/91/95/1028929195.db2.gz QERIDNIFARKKGW-UHFFFAOYSA-N -1 3 391.761 3.670 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000841812544 1028959869 /nfs/dbraw/zinc/95/98/69/1028959869.db2.gz XPDLWETWUAKQGZ-QGZVFWFLSA-N -1 3 393.940 3.827 20 0 GHADHM COc1c(Cl)cc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1Cl ZINC001215042199 1029008483 /nfs/dbraw/zinc/00/84/83/1029008483.db2.gz CRZRXKWNXCFXHH-UHFFFAOYSA-N -1 3 393.234 3.750 20 0 GHADHM COc1c(Cl)cc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1Cl ZINC001215042199 1029008499 /nfs/dbraw/zinc/00/84/99/1029008499.db2.gz CRZRXKWNXCFXHH-UHFFFAOYSA-N -1 3 393.234 3.750 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001142649948 1029207796 /nfs/dbraw/zinc/20/77/96/1029207796.db2.gz PPUPXEUGRFKJFR-KRWDZBQOSA-N -1 3 379.884 3.588 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001142653087 1029212870 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COc1cc(Cl)cnc1-c1noc(-c2cc([O-])ccc2Br)n1 ZINC001216848342 1029961382 /nfs/dbraw/zinc/96/13/82/1029961382.db2.gz MCYJPDOMWJZSGQ-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM COc1cccc(-c2noc(-c3cc([O-])ccc3Br)n2)c1OC ZINC001216847076 1029961791 /nfs/dbraw/zinc/96/17/91/1029961791.db2.gz NXPUWETZKFAFGU-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1c([O-])cc(-c2nc(-c3cnc(N(C)C)c(Br)c3)no2)cc1F ZINC001216895627 1029985174 /nfs/dbraw/zinc/98/51/74/1029985174.db2.gz XGHRBIJQIVTLDC-UHFFFAOYSA-N -1 3 393.216 3.780 20 0 GHADHM Cc1cccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)c1Br ZINC001216958966 1030030704 /nfs/dbraw/zinc/03/07/04/1030030704.db2.gz LEANFZIWLAMKDJ-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM CC(C)N(CC(=O)Nc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC001143339042 1030047255 /nfs/dbraw/zinc/04/72/55/1030047255.db2.gz IPLSEZYXQWPKFS-UHFFFAOYSA-N -1 3 387.274 3.739 20 0 GHADHM COc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc1Cl ZINC001217018070 1030093846 /nfs/dbraw/zinc/09/38/46/1030093846.db2.gz JZDKHQPSIWPVLI-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM Cc1cc(C)n2ncc(C(=O)[N-]c3c(F)cc(F)c(F)c3Br)c2n1 ZINC001149582403 1030233451 /nfs/dbraw/zinc/23/34/51/1030233451.db2.gz LRDWUYDXLHRXDR-UHFFFAOYSA-N -1 3 399.170 3.778 20 0 GHADHM Clc1ccc2[n-]c(-c3nc(-c4cccc(N5CCOCC5)c4)no3)nc2c1 ZINC001217256909 1030262843 /nfs/dbraw/zinc/26/28/43/1030262843.db2.gz HNGAUYAPVJOBIX-UHFFFAOYSA-N -1 3 381.823 3.770 20 0 GHADHM Clc1ccc2nc(-c3nc(-c4cccc(N5CCOCC5)c4)no3)[n-]c2c1 ZINC001217256909 1030262856 /nfs/dbraw/zinc/26/28/56/1030262856.db2.gz HNGAUYAPVJOBIX-UHFFFAOYSA-N -1 3 381.823 3.770 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(F)c(OC(F)(F)F)c3)no2)C1=O ZINC001217355908 1030333336 /nfs/dbraw/zinc/33/33/36/1030333336.db2.gz ZXBNQIXJHPAALN-UHFFFAOYSA-N -1 3 393.252 3.576 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4cc(OC)ccn4)no3)c1[O-])CCCC2 ZINC001217447969 1030402302 /nfs/dbraw/zinc/40/23/02/1030402302.db2.gz XFHYFGXDOBPIFD-UHFFFAOYSA-N -1 3 395.415 3.568 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc3c(c2)C(=O)CCC3)no1 ZINC001217470648 1030419502 /nfs/dbraw/zinc/41/95/02/1030419502.db2.gz AMAVIELRRWTQNY-UHFFFAOYSA-N -1 3 388.383 3.586 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5c(c4)C(=O)CCC5)no3)n[n-]c21 ZINC001217470648 1030419509 /nfs/dbraw/zinc/41/95/09/1030419509.db2.gz AMAVIELRRWTQNY-UHFFFAOYSA-N -1 3 388.383 3.586 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc(OC)c(Cl)c2)no1 ZINC001217471614 1030421153 /nfs/dbraw/zinc/42/11/53/1030421153.db2.gz WEDLJIWJFNQFPL-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc(OC)c(Cl)c4)no3)n[n-]c21 ZINC001217471614 1030421161 /nfs/dbraw/zinc/42/11/61/1030421161.db2.gz WEDLJIWJFNQFPL-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(Cl)cc(OC)c4)no3)c21 ZINC001217512474 1030454692 /nfs/dbraw/zinc/45/46/92/1030454692.db2.gz OEQAOQNOFHHOST-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cccc5ccc(C)nc54)no3)c21 ZINC001217511613 1030454723 /nfs/dbraw/zinc/45/47/23/1030454723.db2.gz BDPJASJAVZEAFZ-UHFFFAOYSA-N -1 3 385.383 3.923 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(Cl)cc4OC)no3)c21 ZINC001217513401 1030455625 /nfs/dbraw/zinc/45/56/25/1030455625.db2.gz YFVTTXNZPOBHDC-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM CN1CCN(Cc2cccc(-c3noc(-c4ccc5occc5c4[O-])n3)c2)CC1 ZINC001217514201 1030456399 /nfs/dbraw/zinc/45/63/99/1030456399.db2.gz OBEJFLAKHXNBBQ-UHFFFAOYSA-N -1 3 390.443 3.603 20 0 GHADHM Cc1cc2c(cn1)[C@H](NC(=O)c1c[n-]c3ccc(C(F)(F)F)cc3c1=O)CC2 ZINC001150476345 1030539814 /nfs/dbraw/zinc/53/98/14/1030539814.db2.gz GXUDZFPHDNSWGB-QGZVFWFLSA-N -1 3 387.361 3.668 20 0 GHADHM Cc1c2cc(Cl)ccc2[nH]c1C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001150726678 1030628715 /nfs/dbraw/zinc/62/87/15/1030628715.db2.gz UXABFHHHNMHCSO-UHFFFAOYSA-N -1 3 393.834 3.926 20 0 GHADHM O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cc([O-])c2ccccc2c1 ZINC001151170692 1030790518 /nfs/dbraw/zinc/79/05/18/1030790518.db2.gz MKGXYHAIDZAGGY-CQSZACIVSA-N -1 3 398.821 3.873 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC001151584486 1030949962 /nfs/dbraw/zinc/94/99/62/1030949962.db2.gz WLMSAOXPICUGKR-LJQANCHMSA-N -1 3 379.416 3.896 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001151679261 1030969698 /nfs/dbraw/zinc/96/96/98/1030969698.db2.gz YBUKTXBGADRLEA-HNNXBMFYSA-N -1 3 376.497 3.856 20 0 GHADHM COc1cc(NC(=O)c2nc3cc(Br)ccc3[n-]2)cc(OC)c1 ZINC001151820794 1031018132 /nfs/dbraw/zinc/01/81/32/1031018132.db2.gz ZFBOCRKJIUIOHZ-UHFFFAOYSA-N -1 3 376.210 3.595 20 0 GHADHM COc1cc(NC(=O)c2nc3ccc(Br)cc3[n-]2)cc(OC)c1 ZINC001151820794 1031018148 /nfs/dbraw/zinc/01/81/48/1031018148.db2.gz ZFBOCRKJIUIOHZ-UHFFFAOYSA-N -1 3 376.210 3.595 20 0 GHADHM O=C(Nc1c(Cl)cnnc1Cl)c1nc2cc(Br)ccc2[n-]1 ZINC001151821319 1031018827 /nfs/dbraw/zinc/01/88/27/1031018827.db2.gz JYAWOHXJAMUWAX-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM O=C(Nc1c(Cl)cnnc1Cl)c1nc2ccc(Br)cc2[n-]1 ZINC001151821319 1031018846 /nfs/dbraw/zinc/01/88/46/1031018846.db2.gz JYAWOHXJAMUWAX-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM NS(=O)(=O)c1cc([N-]C(=O)c2sc3cc(F)ccc3c2Cl)cs1 ZINC001152311257 1031186217 /nfs/dbraw/zinc/18/62/17/1031186217.db2.gz GLWJMLYRIAPWPI-UHFFFAOYSA-N -1 3 390.870 3.655 20 0 GHADHM CCOc1nnc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[n-]1 ZINC001152342229 1031198840 /nfs/dbraw/zinc/19/88/40/1031198840.db2.gz MJYBRCZJNKKBJM-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CCOc1nc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n[n-]1 ZINC001152342229 1031198851 /nfs/dbraw/zinc/19/88/51/1031198851.db2.gz MJYBRCZJNKKBJM-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n1 ZINC001152342229 1031198858 /nfs/dbraw/zinc/19/88/58/1031198858.db2.gz MJYBRCZJNKKBJM-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1 ZINC001152685849 1031325105 /nfs/dbraw/zinc/32/51/05/1031325105.db2.gz XPOKZWCLXYNVOP-UHFFFAOYSA-N -1 3 396.300 3.545 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(C(F)(F)F)c2cc(F)ccc2n1 ZINC001152685849 1031325119 /nfs/dbraw/zinc/32/51/19/1031325119.db2.gz XPOKZWCLXYNVOP-UHFFFAOYSA-N -1 3 396.300 3.545 20 0 GHADHM CCc1nc2ccc(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)cc2s1 ZINC001219262633 1031333033 /nfs/dbraw/zinc/33/30/33/1031333033.db2.gz GPOSKYOODLIDKT-ZETCQYMHSA-N -1 3 384.387 3.878 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])CCCC2 ZINC001153437167 1031590473 /nfs/dbraw/zinc/59/04/73/1031590473.db2.gz JHIPSOYECYMXAM-SFHVURJKSA-N -1 3 398.459 3.565 20 0 GHADHM O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)c1c([O-])ccc2ccccc21 ZINC001153509850 1031625063 /nfs/dbraw/zinc/62/50/63/1031625063.db2.gz GKUYJWBFZOXMGM-SFHVURJKSA-N -1 3 388.467 3.714 20 0 GHADHM COC(=O)[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1cccc(Cl)c1 ZINC001225855091 1031654734 /nfs/dbraw/zinc/65/47/34/1031654734.db2.gz YKRMXHCVHGWXDI-NSHDSACASA-N -1 3 378.759 3.731 20 0 GHADHM O=C(c1cnc2cccnc2c1[O-])N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001153856010 1031772430 /nfs/dbraw/zinc/77/24/30/1031772430.db2.gz OSBANKXAGWCIEJ-CYBMUJFWSA-N -1 3 387.361 3.572 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2cccnc2c1[O-] ZINC001153861596 1031778485 /nfs/dbraw/zinc/77/84/85/1031778485.db2.gz FXYJJFRPUPXOLB-INIZCTEOSA-N -1 3 388.471 3.936 20 0 GHADHM C[C@@]1(F)CCCCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)C1 ZINC001153874023 1031786963 /nfs/dbraw/zinc/78/69/63/1031786963.db2.gz OTLYEDLPMGEXSG-QGZVFWFLSA-N -1 3 381.245 3.645 20 0 GHADHM CC(=O)c1ccsc1NC(=O)c1cnc2cc(Br)ccc2c1[O-] ZINC001153874223 1031787440 /nfs/dbraw/zinc/78/74/40/1031787440.db2.gz YHRLNCAVEWETGY-UHFFFAOYSA-N -1 3 391.246 3.807 20 0 GHADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1Cl)c1ccc(Br)cc1 ZINC000049786243 1031844274 /nfs/dbraw/zinc/84/42/74/1031844274.db2.gz CUMVBMPJABYFFT-JTQLQIEISA-N -1 3 396.672 3.808 20 0 GHADHM O=C(c1ccc(Br)c(Cl)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001153976574 1031850416 /nfs/dbraw/zinc/85/04/16/1031850416.db2.gz SIBDYTRKSVINHW-UHFFFAOYSA-N -1 3 394.656 3.632 20 0 GHADHM O=C(Nc1ncnc2c1cnn2-c1ccccc1)c1c([O-])cc2ccccc2c1O ZINC001154023129 1031881641 /nfs/dbraw/zinc/88/16/41/1031881641.db2.gz OBPIHEPVNINLBF-UHFFFAOYSA-N -1 3 397.394 3.632 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154025271 1031882655 /nfs/dbraw/zinc/88/26/55/1031882655.db2.gz CLUJAIFEDIHIQA-DOXZYTNZSA-N -1 3 397.471 3.833 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cccc2cc[nH]c21 ZINC001154103770 1031928455 /nfs/dbraw/zinc/92/84/55/1031928455.db2.gz DLLUVVVBLDZLSI-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc2scnc2c1 ZINC001154104978 1031929251 /nfs/dbraw/zinc/92/92/51/1031929251.db2.gz ZRZJSNFBPZVLJW-UHFFFAOYSA-N -1 3 396.209 3.859 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc(OC(F)(F)F)c3F)[n-]nc21 ZINC001154147118 1031951064 /nfs/dbraw/zinc/95/10/64/1031951064.db2.gz OPMCFEWRSXQQRG-UHFFFAOYSA-N -1 3 397.284 3.640 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc(OC(F)(F)F)c3F)n[n-]c21 ZINC001154147118 1031951070 /nfs/dbraw/zinc/95/10/70/1031951070.db2.gz OPMCFEWRSXQQRG-UHFFFAOYSA-N -1 3 397.284 3.640 20 0 GHADHM CC(=O)c1ccc([O-])c(OC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC001226478912 1031974062 /nfs/dbraw/zinc/97/40/62/1031974062.db2.gz JKDUHHUVGUICEA-UHFFFAOYSA-N -1 3 391.464 3.859 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226484721 1031976798 /nfs/dbraw/zinc/97/67/98/1031976798.db2.gz ICZVIVTWNGQKBB-QGZVFWFLSA-N -1 3 380.343 3.619 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001154316024 1032038243 /nfs/dbraw/zinc/03/82/43/1032038243.db2.gz JDYNEAZVIJDIOX-OAQYLSRUSA-N -1 3 388.467 3.934 20 0 GHADHM S=c1nc(OC2CCN(c3ncccn3)CC2)c2c3c(sc2[n-]1)CCCC3 ZINC001229287565 1033392549 /nfs/dbraw/zinc/39/25/49/1033392549.db2.gz JADIQMRGQMVGCZ-UHFFFAOYSA-N -1 3 399.545 3.697 20 0 GHADHM Cc1csc2[n-]c(=S)nc(O[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)c12 ZINC001229353106 1033433757 /nfs/dbraw/zinc/43/37/57/1033433757.db2.gz KWLFCLMYYIVGQT-JTQLQIEISA-N -1 3 381.523 3.923 20 0 GHADHM C[C@H](NC(=O)CCSc1cccc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157231962 1033483752 /nfs/dbraw/zinc/48/37/52/1033483752.db2.gz AEMIQIOKRRWYSN-QMMMGPOBSA-N -1 3 378.807 3.837 20 0 GHADHM [O-]c1cc(Br)cnc1CN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC001205702401 1033538518 /nfs/dbraw/zinc/53/85/18/1033538518.db2.gz FSWSSRYNQMETGV-CQSZACIVSA-N -1 3 387.281 3.564 20 0 GHADHM C[N@@H+]1CCC[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)CC1 ZINC001229771276 1033700888 /nfs/dbraw/zinc/70/08/88/1033700888.db2.gz BUIOAUVPGGIPSP-MRXNPFEDSA-N -1 3 381.428 3.734 20 0 GHADHM C[N@H+]1CCC[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)CC1 ZINC001229771276 1033700902 /nfs/dbraw/zinc/70/09/02/1033700902.db2.gz BUIOAUVPGGIPSP-MRXNPFEDSA-N -1 3 381.428 3.734 20 0 GHADHM Cc1cc(F)c(F)cc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC001206059561 1033702800 /nfs/dbraw/zinc/70/28/00/1033702800.db2.gz BJVWRFBPTINGPY-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM COC(=O)[C@@H](Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21)C(F)(F)F ZINC001229806943 1033730981 /nfs/dbraw/zinc/73/09/81/1033730981.db2.gz CSPIBHUORHUHGN-MRXNPFEDSA-N -1 3 386.322 3.548 20 0 GHADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC[C@@H](C)OC[C@H](C)OC)c1 ZINC001229810538 1033733001 /nfs/dbraw/zinc/73/30/01/1033733001.db2.gz JJVJMFBGSGLJCZ-UONOGXRCSA-N -1 3 376.449 3.884 20 0 GHADHM Cc1ccc(Br)cc1CNCc1ncc(Br)cc1[O-] ZINC001206691396 1033945435 /nfs/dbraw/zinc/94/54/35/1033945435.db2.gz IDKYNPSLQQEYNB-UHFFFAOYSA-N -1 3 386.087 3.910 20 0 GHADHM O=C(c1ccsc1)[C@@H](Oc1[n-]c(=O)nc2c1SCC2)c1ccsc1 ZINC001230792204 1034227900 /nfs/dbraw/zinc/22/79/00/1034227900.db2.gz MFUDWOBQIXKUGC-ZDUSSCGKSA-N -1 3 376.484 3.956 20 0 GHADHM C[C@H](CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1c[nH]c2ccccc21 ZINC001158792691 1034272615 /nfs/dbraw/zinc/27/26/15/1034272615.db2.gz KRRSJANWGUHATE-BZUAXINKSA-N -1 3 378.476 4.000 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](c1cccnc1)C(F)(F)F ZINC001231090354 1034391955 /nfs/dbraw/zinc/39/19/55/1034391955.db2.gz GXGQUJCXTMFHDH-GFCCVEGCSA-N -1 3 376.718 3.695 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc2cc(Br)cnc2[nH]1 ZINC001159146086 1034451729 /nfs/dbraw/zinc/45/17/29/1034451729.db2.gz OGXLIMAAUJJMFL-UHFFFAOYSA-N -1 3 393.216 3.527 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(F)c(Br)c1 ZINC001159181142 1034470170 /nfs/dbraw/zinc/47/01/70/1034470170.db2.gz DVKXHGCNICSRNW-QMMMGPOBSA-N -1 3 382.185 3.514 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cc(F)cc(F)c3N)n[n-]2)cc1 ZINC001159363270 1034564522 /nfs/dbraw/zinc/56/45/22/1034564522.db2.gz AUDUTFHSURKZGH-UHFFFAOYSA-N -1 3 375.404 3.518 20 0 GHADHM CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(C(=O)[O-])ccc1F ZINC001231456851 1034600261 /nfs/dbraw/zinc/60/02/61/1034600261.db2.gz ACHMNZIJYCNVGQ-UHFFFAOYSA-N -1 3 394.487 3.993 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001231458552 1034601875 /nfs/dbraw/zinc/60/18/75/1034601875.db2.gz ZVAIDCLQSBPAFC-JOCHJYFZSA-N -1 3 386.442 3.904 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC001231461796 1034606199 /nfs/dbraw/zinc/60/61/99/1034606199.db2.gz UAOUAIULDOGDRH-QGZVFWFLSA-N -1 3 392.471 3.793 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)s1 ZINC001231466209 1034610214 /nfs/dbraw/zinc/61/02/14/1034610214.db2.gz OWSCBLCXYUHYJW-UHFFFAOYSA-N -1 3 392.908 3.628 20 0 GHADHM COc1ccc(O[C@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)nc1 ZINC001231527519 1034681079 /nfs/dbraw/zinc/68/10/79/1034681079.db2.gz MAZNVRYKDSVMGC-HNNXBMFYSA-N -1 3 382.382 3.858 20 0 GHADHM COC(=O)[C@@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)c1ccccc1Cl ZINC001160048877 1034843493 /nfs/dbraw/zinc/84/34/93/1034843493.db2.gz FWVOXHIPQCGKAI-NSHDSACASA-N -1 3 394.230 3.625 20 0 GHADHM [O-]c1cc(CN2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)ccc1Cl ZINC001231731009 1034867552 /nfs/dbraw/zinc/86/75/52/1034867552.db2.gz MOGIZCQHRGVCNM-GHTZIAJQSA-N -1 3 388.895 3.781 20 0 GHADHM O=C1COC2(CCN(Cc3ccc(Cl)c([O-])c3)CC2)CN1c1ccsc1 ZINC001231731931 1034869436 /nfs/dbraw/zinc/86/94/36/1034869436.db2.gz WMHNODFZKQXLBA-UHFFFAOYSA-N -1 3 392.908 3.505 20 0 GHADHM COc1ccc(CN2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC001231752038 1034882267 /nfs/dbraw/zinc/88/22/67/1034882267.db2.gz HMEVCSWYNPWJJL-QHCPKHFHSA-N -1 3 398.478 3.773 20 0 GHADHM COc1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1C(=O)[O-] ZINC001231753266 1034882835 /nfs/dbraw/zinc/88/28/35/1034882835.db2.gz UEMQJRRUAWLQAY-UHFFFAOYSA-N -1 3 393.443 3.823 20 0 GHADHM Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001208527279 1034925595 /nfs/dbraw/zinc/92/55/95/1034925595.db2.gz GLYGVMZQEDBXRG-UHFFFAOYSA-N -1 3 393.814 3.813 20 0 GHADHM O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC001461926751 1069892175 /nfs/dbraw/zinc/89/21/75/1069892175.db2.gz KGMAEWNJZZFTST-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC001208856618 1035061607 /nfs/dbraw/zinc/06/16/07/1035061607.db2.gz UKAPBXPXMZJPLM-HUUCEWRRSA-N -1 3 385.501 3.743 20 0 GHADHM Cc1ccc(OCC[N-]S(=O)(=O)c2csnc2-c2ccccc2)c(C)c1 ZINC001208889020 1035076909 /nfs/dbraw/zinc/07/69/09/1035076909.db2.gz GMIKBBVTSSJHBP-UHFFFAOYSA-N -1 3 388.514 3.784 20 0 GHADHM COCCCOc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1OC ZINC001161312327 1035208214 /nfs/dbraw/zinc/20/82/14/1035208214.db2.gz ZWKBMAVFRAOCAB-UHFFFAOYSA-N -1 3 396.443 3.513 20 0 GHADHM COc1cc2ncc(C(=O)Nc3cc(-c4cccs4)on3)c([O-])c2c(OC)c1 ZINC001161601186 1035269495 /nfs/dbraw/zinc/26/94/95/1035269495.db2.gz JVVCUKLTVJUWAO-UHFFFAOYSA-N -1 3 397.412 3.514 20 0 GHADHM [O-]c1cc(F)cc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001241263184 1035546721 /nfs/dbraw/zinc/54/67/21/1035546721.db2.gz ZHCMNQBDMDEIJS-UHFFFAOYSA-N -1 3 385.464 3.524 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001248248673 1035696439 /nfs/dbraw/zinc/69/64/39/1035696439.db2.gz CZMGERYACJCPJT-AWEZNQCLSA-N -1 3 393.834 3.795 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1 ZINC001241819406 1035712972 /nfs/dbraw/zinc/71/29/72/1035712972.db2.gz KDRNAHIPSRGEKS-HNNXBMFYSA-N -1 3 392.421 3.925 20 0 GHADHM CCOc1ccc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1Br ZINC001243257293 1036081148 /nfs/dbraw/zinc/08/11/48/1036081148.db2.gz KKCFQPSDBRLEIX-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCOc1ccc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1Br ZINC001243257293 1036081170 /nfs/dbraw/zinc/08/11/70/1036081170.db2.gz KKCFQPSDBRLEIX-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM [O-]c1ccc(Cl)cc1-c1cnc(N2CCOCC2)nc1OCc1ccccc1 ZINC001245052113 1036748072 /nfs/dbraw/zinc/74/80/72/1036748072.db2.gz BBKGYFFGCQYQKH-UHFFFAOYSA-N -1 3 397.862 3.918 20 0 GHADHM CCOC(=O)CC1CCN(c2ccc(-c3ccc([O-])cc3Cl)nn2)CC1 ZINC001245077845 1036756941 /nfs/dbraw/zinc/75/69/41/1036756941.db2.gz HSLYFGJATQSTQT-UHFFFAOYSA-N -1 3 375.856 3.672 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)c2cc3ccccc3s2)s1 ZINC001462209452 1070085700 /nfs/dbraw/zinc/08/57/00/1070085700.db2.gz IHRBZJOZQRGYCZ-UHFFFAOYSA-N -1 3 395.531 3.687 20 0 GHADHM COc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)ccc1Br ZINC001247564841 1038250557 /nfs/dbraw/zinc/25/05/57/1038250557.db2.gz OEZQGVFTKWZJST-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM Cc1cc(Cl)cc(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)c1 ZINC001247688903 1038328628 /nfs/dbraw/zinc/32/86/28/1038328628.db2.gz CXWWGTXBHBCLCR-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM Cc1ccc(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)c(Cl)c1 ZINC001247690363 1038330324 /nfs/dbraw/zinc/33/03/24/1038330324.db2.gz MSVOGQBVDFDGFH-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)c1Cl ZINC001232787899 1038554282 /nfs/dbraw/zinc/55/42/82/1038554282.db2.gz VXSLXAOUUCYNMW-SFHVURJKSA-N -1 3 394.853 3.573 20 0 GHADHM COCCCN(Cc1cccc([O-])c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232788856 1038557213 /nfs/dbraw/zinc/55/72/13/1038557213.db2.gz AQFZLAKYLCHPNQ-INIZCTEOSA-N -1 3 398.931 3.894 20 0 GHADHM O=C1CCC2(CC1)CCN(Cc1ccc([O-])c(I)c1)CC2 ZINC001232869685 1038636181 /nfs/dbraw/zinc/63/61/81/1038636181.db2.gz HEGUNUZYIJIGJL-UHFFFAOYSA-N -1 3 399.272 3.722 20 0 GHADHM Cc1nc(CO[C@@H]2CN(Cc3ccc([S-])cc3)[C@@H]3CCCO[C@H]23)cs1 ZINC001233260095 1039028996 /nfs/dbraw/zinc/02/89/96/1039028996.db2.gz QIJTXHVQUMJUQK-QRVBRYPASA-N -1 3 376.547 3.689 20 0 GHADHM O=S(=O)(Cc1ccccc1)[N-]c1cc(Br)cc2ncccc12 ZINC001252888215 1039231610 /nfs/dbraw/zinc/23/16/10/1039231610.db2.gz DEKLITKLMVDJHX-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM CC[C@H]1CN(Cc2ccc(OC)c([O-])c2Cl)CCN1C(=O)OC(C)(C)C ZINC001233400269 1039240483 /nfs/dbraw/zinc/24/04/83/1039240483.db2.gz BQIXBZWLWJBVBS-AWEZNQCLSA-N -1 3 384.904 3.886 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233591939 1039464115 /nfs/dbraw/zinc/46/41/15/1039464115.db2.gz IKKYFKZCULZWGH-LPHOPBHVSA-N -1 3 383.872 3.901 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2cc(F)c([O-])cc2F)cc1 ZINC001253429737 1039628323 /nfs/dbraw/zinc/62/83/23/1039628323.db2.gz UWPQDZWWYMQAPB-AWEZNQCLSA-N -1 3 379.403 3.598 20 0 GHADHM CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)CNc1ccc(C(N)=O)c([O-])c1 ZINC001253491416 1039671533 /nfs/dbraw/zinc/67/15/33/1039671533.db2.gz SJIZBIVLSGUSTN-NRFANRHFSA-N -1 3 390.911 3.966 20 0 GHADHM CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+]CCCCP(=O)([O-])[O-] ZINC001253496015 1039678583 /nfs/dbraw/zinc/67/85/83/1039678583.db2.gz ZMJZPXIOUMEJFR-GOSISDBHSA-N -1 3 391.876 3.597 20 0 GHADHM CC[C@H](C)N1CC[C@]2(CCN(Cc3cc(F)c([O-])c(Br)c3)C2)C1=O ZINC001277830054 1039813988 /nfs/dbraw/zinc/81/39/88/1039813988.db2.gz MMPHRYBBQPKALK-SGTLLEGYSA-N -1 3 399.304 3.517 20 0 GHADHM Cc1ccc(OC[C@@H](O)CNc2c([O-])c(Br)ccc2Cl)cc1 ZINC001253837643 1039847353 /nfs/dbraw/zinc/84/73/53/1039847353.db2.gz KJWOHEGVXCZWAC-NSHDSACASA-N -1 3 386.673 3.968 20 0 GHADHM COC[C@@H](C)OC[C@@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234382224 1039992804 /nfs/dbraw/zinc/99/28/04/1039992804.db2.gz SYXJOMPHOWAMDE-HUUCEWRRSA-N -1 3 384.428 3.984 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3C)c1C ZINC001254166614 1040018960 /nfs/dbraw/zinc/01/89/60/1040018960.db2.gz HUTHWMHZNYROET-UHFFFAOYSA-N -1 3 387.505 3.723 20 0 GHADHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690828 1040224583 /nfs/dbraw/zinc/22/45/83/1040224583.db2.gz FKTMHHZIBRFBED-GOSISDBHSA-N -1 3 378.428 3.793 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCCN(C)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759205 1040289469 /nfs/dbraw/zinc/28/94/69/1040289469.db2.gz NOUXJQRQBMTCBI-QAPCUYQASA-N -1 3 383.444 3.580 20 0 GHADHM COc1cc(O[C@H]2CCCOC2)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234784946 1040315913 /nfs/dbraw/zinc/31/59/13/1040315913.db2.gz YDTXIOOQFRPVCD-ZDUSSCGKSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1C(C)=O ZINC001234791579 1040323265 /nfs/dbraw/zinc/32/32/65/1040323265.db2.gz PJJXGNOSIWPNLW-ZFWWWQNUSA-N -1 3 397.443 3.638 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(OC)cnc2Br)cc1 ZINC001255158902 1040879951 /nfs/dbraw/zinc/87/99/51/1040879951.db2.gz VYQDQQDBWYCPHA-UHFFFAOYSA-N -1 3 385.283 3.606 20 0 GHADHM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC001255802239 1041310504 /nfs/dbraw/zinc/31/05/04/1041310504.db2.gz UDZFUDUXYKKKCX-UHFFFAOYSA-N -1 3 389.395 3.619 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CCOCC1)c1ccc(F)cc1F ZINC001256117407 1041549468 /nfs/dbraw/zinc/54/94/68/1041549468.db2.gz DYMCDZNEJRBYBN-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2ccc(Br)c([O-])c2)C1 ZINC001236684631 1041830315 /nfs/dbraw/zinc/83/03/15/1041830315.db2.gz UZOCBZDCVNUKDN-ZFWWWQNUSA-N -1 3 397.313 3.596 20 0 GHADHM COc1cccnc1O[C@@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236694102 1041835876 /nfs/dbraw/zinc/83/58/76/1041835876.db2.gz DQQCYOHWYOSVQS-CQSZACIVSA-N -1 3 393.281 3.602 20 0 GHADHM [O-]c1cc(CN2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)ccc1F ZINC001236705330 1041843992 /nfs/dbraw/zinc/84/39/92/1041843992.db2.gz KORHHVCLOGTJGY-UHFFFAOYSA-N -1 3 389.780 3.921 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236995480 1041982617 /nfs/dbraw/zinc/98/26/17/1041982617.db2.gz LKUOTLKQAAPEGS-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cc([O-])cc(F)c1)C2 ZINC001237278579 1042120268 /nfs/dbraw/zinc/12/02/68/1042120268.db2.gz BXGWIQNDLBSMFF-UHFFFAOYSA-N -1 3 378.451 3.652 20 0 GHADHM [O-]c1cc(F)cc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1 ZINC001237281553 1042122048 /nfs/dbraw/zinc/12/20/48/1042122048.db2.gz URCUSRODPWDINU-GOSISDBHSA-N -1 3 385.483 3.664 20 0 GHADHM Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)c1 ZINC001237918358 1042422546 /nfs/dbraw/zinc/42/25/46/1042422546.db2.gz WJUGSOZEDAKLAT-UHFFFAOYSA-N -1 3 384.738 3.761 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@@H]12 ZINC001237996445 1042450307 /nfs/dbraw/zinc/45/03/07/1042450307.db2.gz ZLONMPIEEFXBIX-XJKCOSOUSA-N -1 3 384.879 3.920 20 0 GHADHM NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149699 1042504717 /nfs/dbraw/zinc/50/47/17/1042504717.db2.gz MRUPQGBQQYBOOP-HKUYNNGSSA-N -1 3 376.859 3.808 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238245188 1042530203 /nfs/dbraw/zinc/53/02/03/1042530203.db2.gz NRVDIOKDWJMYQG-FQEVSTJZSA-N -1 3 380.460 3.651 20 0 GHADHM O=S(=O)([N-][C@@H]1CNCc2ccsc21)c1ccc(Cl)c(Cl)c1Cl ZINC001238313630 1042552672 /nfs/dbraw/zinc/55/26/72/1042552672.db2.gz OLNHTTUTYBBAOE-SECBINFHSA-N -1 3 397.736 3.831 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(Br)ccc21)c1ccc(Cl)s1 ZINC001256548815 1043511610 /nfs/dbraw/zinc/51/16/10/1043511610.db2.gz WACROHQRUOCOBB-VIFPVBQESA-N -1 3 394.699 3.576 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n(Cc2ccccc2)n1 ZINC001291918771 1043529172 /nfs/dbraw/zinc/52/91/72/1043529172.db2.gz GOMPXPDOVBKFKE-UHFFFAOYSA-N -1 3 394.381 3.612 20 0 GHADHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)s3)co2)c1 ZINC001256562487 1043536785 /nfs/dbraw/zinc/53/67/85/1043536785.db2.gz CSHJQGQTCKRXQK-UHFFFAOYSA-N -1 3 384.866 3.544 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC001462743248 1070516405 /nfs/dbraw/zinc/51/64/05/1070516405.db2.gz XTOFDZVBXFHQLG-UHFFFAOYSA-N -1 3 383.828 3.891 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(F)(F)F)cc1OC ZINC001257000042 1043794315 /nfs/dbraw/zinc/79/43/15/1043794315.db2.gz DFBQFAOJUSQSRS-UHFFFAOYSA-N -1 3 379.331 3.663 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001292654847 1043819580 /nfs/dbraw/zinc/81/95/80/1043819580.db2.gz KQHMCUAVPVUWMS-UHFFFAOYSA-N -1 3 380.322 3.682 20 0 GHADHM COc1ccc2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)ccc2n1 ZINC001292706849 1043842243 /nfs/dbraw/zinc/84/22/43/1043842243.db2.gz LMGCSZATKCPLGM-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM [O-]c1cncc(-c2nnc(-c3cccc(Cn4cc(Br)cn4)c3)o2)c1 ZINC001257378739 1043975520 /nfs/dbraw/zinc/97/55/20/1043975520.db2.gz DJLWKUPWQHDRKZ-UHFFFAOYSA-N -1 3 398.220 3.512 20 0 GHADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl ZINC001257766004 1044155971 /nfs/dbraw/zinc/15/59/71/1044155971.db2.gz XEFANHFNNGMJTF-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC001462815915 1070566268 /nfs/dbraw/zinc/56/62/68/1070566268.db2.gz IUNIFFVOXZLWAJ-GOEBONIOSA-N -1 3 385.501 3.886 20 0 GHADHM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1 ZINC001279085250 1044485486 /nfs/dbraw/zinc/48/54/86/1044485486.db2.gz ZHDINWMPMACZEQ-OAHLLOKOSA-N -1 3 393.314 3.866 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001462850015 1070595813 /nfs/dbraw/zinc/59/58/13/1070595813.db2.gz QDMLMRDJJTYHAN-WCQYABFASA-N -1 3 399.406 3.598 20 0 GHADHM Cc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c(OC(C)C)c1 ZINC001294623171 1044734421 /nfs/dbraw/zinc/73/44/21/1044734421.db2.gz AYRCMWNJRHYJRJ-UHFFFAOYSA-N -1 3 386.398 3.832 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1Oc1ccc(F)cc1 ZINC001258753812 1044750188 /nfs/dbraw/zinc/75/01/88/1044750188.db2.gz BSZWLYNAQRGXEV-UHFFFAOYSA-N -1 3 376.409 3.701 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(F)ccc1C(F)(F)F ZINC001258938843 1044896471 /nfs/dbraw/zinc/89/64/71/1044896471.db2.gz NPECKKRNSQTDHA-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3cc(F)ccc3F)cs2)c1 ZINC001258951625 1044903813 /nfs/dbraw/zinc/90/38/13/1044903813.db2.gz SIEQPDVSBOTZSW-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1Cl)c1ccc(Br)s1 ZINC001259052341 1044937946 /nfs/dbraw/zinc/93/79/46/1044937946.db2.gz BQFGYWCEHWNQJU-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C(F)(F)c1ncccc1Br ZINC001295351208 1044986573 /nfs/dbraw/zinc/98/65/73/1044986573.db2.gz RUCXCUGJCBVJHU-UHFFFAOYSA-N -1 3 377.572 3.934 20 0 GHADHM CN(OCc1ccccc1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001295359408 1044987306 /nfs/dbraw/zinc/98/73/06/1044987306.db2.gz ILDADNQKNWCFAP-UHFFFAOYSA-N -1 3 392.333 3.631 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C1CCCCC1 ZINC001259255717 1045046462 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GHADHM O=S(=O)([N-]Cc1ccc(-c2ccccn2)cc1)c1cc(F)c(F)c(F)c1 ZINC001259503918 1045208422 /nfs/dbraw/zinc/20/84/22/1045208422.db2.gz WZGSJCBTKXFIHK-UHFFFAOYSA-N -1 3 378.375 3.644 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC001259505407 1045209843 /nfs/dbraw/zinc/20/98/43/1045209843.db2.gz KYBIOHGNSOKYCF-GOSISDBHSA-N -1 3 399.434 3.940 20 0 GHADHM O=C(CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)OCc1ccccc1 ZINC001259513418 1045215679 /nfs/dbraw/zinc/21/56/79/1045215679.db2.gz LLIOBFTYGXVTFT-UHFFFAOYSA-N -1 3 399.871 3.671 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C(F)(F)F)cc1 ZINC001259513408 1045216115 /nfs/dbraw/zinc/21/61/15/1045216115.db2.gz KYEYDNASDCEQPJ-UHFFFAOYSA-N -1 3 395.761 3.659 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1ccc(Cl)cc1 ZINC001259514378 1045216292 /nfs/dbraw/zinc/21/62/92/1045216292.db2.gz JEQLBQFFBVBJEJ-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC1CCOCC1)c1ccc(Cl)cc1F ZINC001259514432 1045216681 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GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1[O-] ZINC001296997171 1045421006 /nfs/dbraw/zinc/42/10/06/1045421006.db2.gz AGDLSBZLBRYTPU-UHFFFAOYSA-N -1 3 379.416 3.944 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3CO)c1C)CC(C)(C)O2 ZINC001260247288 1045427396 /nfs/dbraw/zinc/42/73/96/1045427396.db2.gz SYXVXMXQBPMHIL-UHFFFAOYSA-N -1 3 393.480 3.758 20 0 GHADHM O=c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc(C2CC2)[n-]1 ZINC001260266254 1045432493 /nfs/dbraw/zinc/43/24/93/1045432493.db2.gz VHGWHEQDLNBRAI-UHFFFAOYSA-N -1 3 393.774 3.533 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1F)c1cc(F)c(F)cc1Cl ZINC001260279934 1045440962 /nfs/dbraw/zinc/44/09/62/1045440962.db2.gz XBRRDJLTRDBOGG-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM O=S(=O)([N-]Cc1ncn2ccccc12)c1ccc(Cl)c(Cl)c1Cl ZINC001260432958 1045493790 /nfs/dbraw/zinc/49/37/90/1045493790.db2.gz CVEVUWBJDJAJCE-UHFFFAOYSA-N -1 3 390.679 3.773 20 0 GHADHM COc1cccnc1C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC001260433752 1045494626 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CC[C@@](NC(=O)c1cc(SC)ccc1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC001297721438 1045612459 /nfs/dbraw/zinc/61/24/59/1045612459.db2.gz DAMVDQIHLXPDNL-IBGZPJMESA-N -1 3 393.892 3.976 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccnc(N4CCCC4)c3)ccc2O1 ZINC001260713360 1045620844 /nfs/dbraw/zinc/62/08/44/1045620844.db2.gz WUHBLQYNILYFTG-UHFFFAOYSA-N -1 3 387.505 3.586 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1F ZINC001260766077 1045647359 /nfs/dbraw/zinc/64/73/59/1045647359.db2.gz FAWGBZUXWGUJPG-UHFFFAOYSA-N -1 3 378.347 3.666 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccnc(OC)c1Cl ZINC001260778789 1045657212 /nfs/dbraw/zinc/65/72/12/1045657212.db2.gz HSQIGDVKMGDUQB-UHFFFAOYSA-N -1 3 377.249 3.515 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccncc1 ZINC001260910625 1045765796 /nfs/dbraw/zinc/76/57/96/1045765796.db2.gz GZTXJCFAIWMCEZ-ZDUSSCGKSA-N -1 3 391.237 3.552 20 0 GHADHM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC001260918372 1045772231 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C[C@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC001302035343 1046788348 /nfs/dbraw/zinc/78/83/48/1046788348.db2.gz HTAYREATMMHWNT-OAHLLOKOSA-N -1 3 395.890 3.701 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3cccs3)n2CC(C)C)cc(=O)[n-]1 ZINC001263419361 1046802459 /nfs/dbraw/zinc/80/24/59/1046802459.db2.gz IHEMVXXYYLVGEJ-HNNXBMFYSA-N -1 3 384.509 3.808 20 0 GHADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1c2ncsc2ccc1Cl ZINC001463146763 1070852712 /nfs/dbraw/zinc/85/27/12/1070852712.db2.gz QLRFIWMCIPKHCM-CYBMUJFWSA-N -1 3 388.942 3.559 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CNC2)c1cc(C(F)(F)F)ccc1Cl ZINC000386665443 1047281034 /nfs/dbraw/zinc/28/10/34/1047281034.db2.gz NDKDTBWDCCHPTQ-UHFFFAOYSA-N -1 3 376.787 3.763 20 0 GHADHM CCOC(=O)[C@H]1Cc2cc(F)ccc2N(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC001303211435 1047311791 /nfs/dbraw/zinc/31/17/91/1047311791.db2.gz CJQIFILACMDFMD-KRWDZBQOSA-N -1 3 397.446 3.792 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C2CCCCC2)ccc1F ZINC001264938753 1047518216 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GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC001342563878 1053240758 /nfs/dbraw/zinc/24/07/58/1053240758.db2.gz YJZAOWGSSCNVKK-INIZCTEOSA-N -1 3 396.470 3.681 20 0 GHADHM CC(C)CC(=O)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001318153694 1054455732 /nfs/dbraw/zinc/45/57/32/1054455732.db2.gz LKKICZDHWHYDAE-UHFFFAOYSA-N -1 3 394.515 3.508 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001318785617 1054873138 /nfs/dbraw/zinc/87/31/38/1054873138.db2.gz UEKVLMGCIKYXKO-UHFFFAOYSA-N -1 3 399.397 3.810 20 0 GHADHM CCC[C@H](NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001319063113 1055017110 /nfs/dbraw/zinc/01/71/10/1055017110.db2.gz OPOMECOCGDHKRK-KRWDZBQOSA-N -1 3 393.484 3.538 20 0 GHADHM CC(C)(C)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001345747387 1055240226 /nfs/dbraw/zinc/24/02/26/1055240226.db2.gz WPEOSRQSNWHWMK-XMMPIXPASA-N -1 3 394.515 3.833 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 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3.765 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](C)O4)c2)n1 ZINC001354534256 1056752207 /nfs/dbraw/zinc/75/22/07/1056752207.db2.gz YVIHICFXUOUXHT-CYBMUJFWSA-N -1 3 375.428 3.987 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccc(Cl)cn1 ZINC001322632583 1056777107 /nfs/dbraw/zinc/77/71/07/1056777107.db2.gz OFHIPVUZAFJLNG-QMMMGPOBSA-N -1 3 393.665 3.676 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(Nc2ccccc2)CC1 ZINC001322869563 1056873404 /nfs/dbraw/zinc/87/34/04/1056873404.db2.gz VSRMBPAKMXRYAV-UHFFFAOYSA-N -1 3 383.398 3.523 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001324000727 1057052732 /nfs/dbraw/zinc/05/27/32/1057052732.db2.gz KAXPXRMNNYLSGR-UHFFFAOYSA-N -1 3 386.445 3.836 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1nc(C)cs1 ZINC001324858929 1057237471 /nfs/dbraw/zinc/23/74/71/1057237471.db2.gz JYEIJCNRMMDZKJ-CYBMUJFWSA-N -1 3 380.322 3.757 20 0 GHADHM Cc1cnc2cc(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)ccn12 ZINC000848782944 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3.761 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001441489381 1058795198 /nfs/dbraw/zinc/79/51/98/1058795198.db2.gz ZMHGINMKZWEGNH-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 ZINC001441622278 1058827566 /nfs/dbraw/zinc/82/75/66/1058827566.db2.gz JBSQJVXSEFRUME-UHFFFAOYSA-N -1 3 393.395 3.961 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1[O-] ZINC001441662207 1058834825 /nfs/dbraw/zinc/83/48/25/1058834825.db2.gz DDUJYFVTPRKRIT-UHFFFAOYSA-N -1 3 395.434 3.829 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@H](C)CC)c1 ZINC001441696467 1058847829 /nfs/dbraw/zinc/84/78/29/1058847829.db2.gz RRJKPLKVHRUEGF-XCLFUZPHSA-N -1 3 392.459 3.910 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C\Cc2ccccc2)cc1OC ZINC001441885511 1058880557 /nfs/dbraw/zinc/88/05/57/1058880557.db2.gz AMQWLPBQYFWEJY-FPLPWBNLSA-N -1 3 388.489 3.584 20 0 GHADHM COc1ccc2c(c1)CCCN(C(=O)c1cc([O-])cc(Br)c1)C2 ZINC001443382758 1059116391 /nfs/dbraw/zinc/11/63/91/1059116391.db2.gz AVNRJFDRMJCUGY-UHFFFAOYSA-N -1 3 376.250 3.752 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1c[nH]c(C(F)(F)F)c1 ZINC001339438444 1059212683 /nfs/dbraw/zinc/21/26/83/1059212683.db2.gz OGHYTBNWXIYQPC-UHFFFAOYSA-N -1 3 384.383 3.978 20 0 GHADHM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001444615628 1059349852 /nfs/dbraw/zinc/34/98/52/1059349852.db2.gz LOLYVPCTSRRYIG-UHFFFAOYSA-N -1 3 394.381 3.567 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ns[n-]c1=O ZINC001444664266 1059357489 /nfs/dbraw/zinc/35/74/89/1059357489.db2.gz GQPHPRDVJXWSIE-UHFFFAOYSA-N -1 3 385.339 3.872 20 0 GHADHM COC(=O)CN(CCC(F)(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001445488275 1059544963 /nfs/dbraw/zinc/54/49/63/1059544963.db2.gz JJUYZASSDJISBI-UHFFFAOYSA-N -1 3 397.349 3.752 20 0 GHADHM Cc1csc([C@@H](C)C(=O)Nc2ccc(I)cc2[O-])n1 ZINC001447626411 1059991087 /nfs/dbraw/zinc/99/10/87/1059991087.db2.gz RVQPPUJVQVCGRF-QMMMGPOBSA-N -1 3 388.230 3.504 20 0 GHADHM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001448736067 1060257888 /nfs/dbraw/zinc/25/78/88/1060257888.db2.gz PYKZQBSYWSGGJO-HXUWFJFHSA-N -1 3 390.867 3.520 20 0 GHADHM Cc1cnc(C(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)c([O-])c1 ZINC001450119997 1060536656 /nfs/dbraw/zinc/53/66/56/1060536656.db2.gz QQYFVWAEZVHPKS-OAQYLSRUSA-N -1 3 395.547 3.901 20 0 GHADHM O=C([N-]Cc1nc2ccccc2o1)C(F)(F)c1cccc(Br)c1 ZINC001450530371 1060609852 /nfs/dbraw/zinc/60/98/52/1060609852.db2.gz WZTBVAJTEWQTTQ-UHFFFAOYSA-N -1 3 381.176 3.999 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cccc(SC(F)(F)F)c1 ZINC001450920484 1060718275 /nfs/dbraw/zinc/71/82/75/1060718275.db2.gz NUTLXLKNIAPTMR-UHFFFAOYSA-N -1 3 379.367 3.655 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cccc(SC(F)(F)F)c1 ZINC001450920484 1060718286 /nfs/dbraw/zinc/71/82/86/1060718286.db2.gz NUTLXLKNIAPTMR-UHFFFAOYSA-N -1 3 379.367 3.655 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)C=Cc3cccc(OC4CCCC4)c3)c2c(=O)n1C ZINC001452046149 1060888166 /nfs/dbraw/zinc/88/81/66/1060888166.db2.gz APOYJNBVQUNVLT-KHPPLWFESA-N -1 3 392.459 3.543 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=Cc2ccccc2)C(F)(F)F)[n-]n1 ZINC001452104199 1060901786 /nfs/dbraw/zinc/90/17/86/1060901786.db2.gz WABNVDAAGSBSNI-XFXZXTDPSA-N -1 3 381.354 3.949 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=Cc2ccccc2)C(F)(F)F)n[n-]1 ZINC001452104199 1060901790 /nfs/dbraw/zinc/90/17/90/1060901790.db2.gz WABNVDAAGSBSNI-XFXZXTDPSA-N -1 3 381.354 3.949 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)[n-]n1 ZINC001452110418 1060902813 /nfs/dbraw/zinc/90/28/13/1060902813.db2.gz MENCTRLYORAXIF-UHFFFAOYSA-N -1 3 378.432 3.654 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)n[n-]1 ZINC001452110418 1060902822 /nfs/dbraw/zinc/90/28/22/1060902822.db2.gz MENCTRLYORAXIF-UHFFFAOYSA-N -1 3 378.432 3.654 20 0 GHADHM Cc1ccc(Oc2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cc2)nc1 ZINC001452715340 1060992982 /nfs/dbraw/zinc/99/29/82/1060992982.db2.gz VZQPQZLMQKQPPQ-UHFFFAOYSA-N -1 3 378.432 3.651 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1coc(-c2ccccc2Cl)n1 ZINC001454299549 1061705006 /nfs/dbraw/zinc/70/50/06/1061705006.db2.gz WFKUJSAGMRBQQZ-UHFFFAOYSA-N -1 3 384.823 3.688 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C1(C)C ZINC001454410004 1061766024 /nfs/dbraw/zinc/76/60/24/1061766024.db2.gz DXOUBVUTHJHYHY-JSGCOSHPSA-N -1 3 390.285 3.806 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C1(C)C ZINC001454410004 1061766042 /nfs/dbraw/zinc/76/60/42/1061766042.db2.gz DXOUBVUTHJHYHY-JSGCOSHPSA-N -1 3 390.285 3.806 20 0 GHADHM C[C@H](C1CC1)N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC001454728981 1061925128 /nfs/dbraw/zinc/92/51/28/1061925128.db2.gz CLCHKCOTLHRWIA-GFCCVEGCSA-N -1 3 398.937 3.512 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001545858235 1062045200 /nfs/dbraw/zinc/04/52/00/1062045200.db2.gz MVVUPIBPUTWMOX-INIZCTEOSA-N -1 3 392.496 3.535 20 0 GHADHM CCc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)c1[O-] ZINC001455258639 1062079319 /nfs/dbraw/zinc/07/93/19/1062079319.db2.gz QZLPGTWPDHDCCU-UHFFFAOYSA-N -1 3 388.508 3.960 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)ccn1C(C)C ZINC001347241366 1062234031 /nfs/dbraw/zinc/23/40/31/1062234031.db2.gz CYLZPXZBLHGAER-UHFFFAOYSA-N -1 3 389.257 3.572 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)ccn1C(C)C ZINC001347241366 1062234044 /nfs/dbraw/zinc/23/40/44/1062234044.db2.gz CYLZPXZBLHGAER-UHFFFAOYSA-N -1 3 389.257 3.572 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)Nc1ccccc1 ZINC001435112196 1062304134 /nfs/dbraw/zinc/30/41/34/1062304134.db2.gz YARSSGGCRNHSBS-LLVKDONJSA-N -1 3 397.219 3.684 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC001456381218 1062649677 /nfs/dbraw/zinc/64/96/77/1062649677.db2.gz GSZBRWVQEHSOHS-JTQLQIEISA-N -1 3 390.793 3.822 20 0 GHADHM C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456384618 1062651321 /nfs/dbraw/zinc/65/13/21/1062651321.db2.gz NPFNPMPZHIHBSK-NSHDSACASA-N -1 3 390.365 3.817 20 0 GHADHM CC(C)([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1cn(-c2ccccc2)nn1 ZINC001435485085 1062667952 /nfs/dbraw/zinc/66/79/52/1062667952.db2.gz PLRJZOSTKHQNRY-UHFFFAOYSA-N -1 3 392.356 3.689 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2c(Cl)cc(Cl)cc2Cl)s1 ZINC001435629492 1062793907 /nfs/dbraw/zinc/79/39/07/1062793907.db2.gz SBTQSKXPWANBHR-UHFFFAOYSA-N -1 3 394.667 3.856 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC001457003220 1062944171 /nfs/dbraw/zinc/94/41/71/1062944171.db2.gz SEHWKZWIWSJYDJ-LJQANCHMSA-N -1 3 380.872 3.661 20 0 GHADHM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001457526512 1063225104 /nfs/dbraw/zinc/22/51/04/1063225104.db2.gz ISENXJGJACWLJO-UHFFFAOYSA-N -1 3 394.814 3.756 20 0 GHADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001348628576 1063246370 /nfs/dbraw/zinc/24/63/70/1063246370.db2.gz DJNCCYNIXUNXRB-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001457822117 1063388197 /nfs/dbraw/zinc/38/81/97/1063388197.db2.gz NGIOGQXCAJDPQW-JOCHJYFZSA-N -1 3 399.450 3.874 20 0 GHADHM Cc1ccccc1Oc1cccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC001458024423 1063510099 /nfs/dbraw/zinc/51/00/99/1063510099.db2.gz MPFYDDSAQRUCAE-UHFFFAOYSA-N -1 3 376.412 3.861 20 0 GHADHM O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1c([O-])cccc1O ZINC001458038656 1063519109 /nfs/dbraw/zinc/51/91/09/1063519109.db2.gz KRXGTNIVFBAFJG-UHFFFAOYSA-N -1 3 392.786 3.687 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)ccc1F ZINC001436561900 1063532205 /nfs/dbraw/zinc/53/22/05/1063532205.db2.gz ABOAGEQUUKHWTC-ZBFHGGJFSA-N -1 3 398.544 3.799 20 0 GHADHM CCc1nnc([N-]C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)s1 ZINC001349640325 1063841516 /nfs/dbraw/zinc/84/15/16/1063841516.db2.gz GPCCADCCDGDFHX-UHFFFAOYSA-N -1 3 394.382 3.905 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC001437937521 1063952808 /nfs/dbraw/zinc/95/28/08/1063952808.db2.gz ZKSGFDSKVBPCCA-VMPITWQZSA-N -1 3 375.381 3.710 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)ccc1OC(F)F ZINC001350018252 1063965520 /nfs/dbraw/zinc/96/55/20/1063965520.db2.gz MCVFGGBQNWCGJN-BBBLOLIVSA-N -1 3 387.782 3.654 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CCCCc2ccccc2)s1 ZINC001438528893 1064064626 /nfs/dbraw/zinc/06/46/26/1064064626.db2.gz HQKBXIDXDSVPJK-UHFFFAOYSA-N -1 3 395.550 3.571 20 0 GHADHM CCOC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1Cl ZINC001439095971 1064173707 /nfs/dbraw/zinc/17/37/07/1064173707.db2.gz WFKKBEJZUXAVPU-GFCCVEGCSA-N -1 3 388.823 3.699 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001463458671 1064369562 /nfs/dbraw/zinc/36/95/62/1064369562.db2.gz JGIQPSMSDYQXIH-CABCVRRESA-N -1 3 380.535 3.682 20 0 GHADHM CCc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC001351728775 1064578688 /nfs/dbraw/zinc/57/86/88/1064578688.db2.gz PKGPBYWPHKAOPV-UHFFFAOYSA-N -1 3 379.453 3.684 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)sc1Cl ZINC001463961795 1064741846 /nfs/dbraw/zinc/74/18/46/1064741846.db2.gz RDGUKVGQYWTBBZ-WDEREUQCSA-N -1 3 396.962 3.680 20 0 GHADHM CC1([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC=CC1 ZINC001463988256 1064756273 /nfs/dbraw/zinc/75/62/73/1064756273.db2.gz UTCZGVMDZLACMC-UHFFFAOYSA-N -1 3 399.335 3.960 20 0 GHADHM O=C(c1ccccc1)C1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC001463989062 1064756417 /nfs/dbraw/zinc/75/64/17/1064756417.db2.gz NUILVWQDEYOBKK-UHFFFAOYSA-N -1 3 396.393 3.541 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC001464187589 1064896882 /nfs/dbraw/zinc/89/68/82/1064896882.db2.gz QNIXJTLTWOIVKR-HNNXBMFYSA-N -1 3 389.455 3.965 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)c1ccccc1 ZINC001464371718 1064975461 /nfs/dbraw/zinc/97/54/61/1064975461.db2.gz VZIMIKNLMQFYBY-INIZCTEOSA-N -1 3 386.498 3.750 20 0 GHADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)OC1 ZINC001464381546 1064980828 /nfs/dbraw/zinc/98/08/28/1064980828.db2.gz TYXICUJYOIGHQJ-LLVKDONJSA-N -1 3 385.835 3.842 20 0 GHADHM O=C(Nc1ccc(-c2csnn2)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464400942 1064989339 /nfs/dbraw/zinc/98/93/39/1064989339.db2.gz XSRSSSOJOFELPA-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001464439967 1065010303 /nfs/dbraw/zinc/01/03/03/1065010303.db2.gz WNOFQJVGPFMETL-AWEZNQCLSA-N -1 3 389.293 3.719 20 0 GHADHM O=S(=O)([N-]c1cnncc1Br)c1ccc(Cl)c2ccccc21 ZINC001200072022 1065130072 /nfs/dbraw/zinc/13/00/72/1065130072.db2.gz GLRXPCKKWYMYAS-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM COc1ccc(C[C@@H](C)N(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001464705313 1065166817 /nfs/dbraw/zinc/16/68/17/1065166817.db2.gz CJEFVTBQTFVRDV-CYBMUJFWSA-N -1 3 384.863 3.893 20 0 GHADHM CSCc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC001464790098 1065212861 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GHADHM CCOC(=O)[C@H](CC)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC001466945268 1066406158 /nfs/dbraw/zinc/40/61/58/1066406158.db2.gz USYCZUZQIPQMFP-FQEVSTJZSA-N -1 3 381.472 3.929 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)cnc1Cl ZINC001467371313 1067256284 /nfs/dbraw/zinc/25/62/84/1067256284.db2.gz JBWKDAUWVFDTEI-UHFFFAOYSA-N -1 3 382.823 3.903 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001467483485 1067320827 /nfs/dbraw/zinc/32/08/27/1067320827.db2.gz VVUVRBUMHRGTHI-UHFFFAOYSA-N -1 3 398.366 3.886 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccsc1 ZINC001467500840 1067330534 /nfs/dbraw/zinc/33/05/34/1067330534.db2.gz MEYFVFVELKPCFA-VIFPVBQESA-N -1 3 377.263 3.843 20 0 GHADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccncc2)cc(C)c1OCc1ccccn1 ZINC000849230776 1067771370 /nfs/dbraw/zinc/77/13/70/1067771370.db2.gz LXKCAHTUFVFXLV-OAQYLSRUSA-N -1 3 391.471 3.978 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001468629506 1067797059 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3.649 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(COc3ccccc3)cc2)n1 ZINC001469699378 1068319925 /nfs/dbraw/zinc/31/99/25/1068319925.db2.gz NBISYEMUTBQVEX-UHFFFAOYSA-N -1 3 377.444 3.735 20 0 GHADHM O=C(c1cc2sc(Br)cc2s1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716300 1068332626 /nfs/dbraw/zinc/33/26/26/1068332626.db2.gz UKJMOASDLODXQC-SSDOTTSWSA-N -1 3 398.307 3.784 20 0 GHADHM COc1cc(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)cc(OC)c1[O-] ZINC001469838223 1068419367 /nfs/dbraw/zinc/41/93/67/1068419367.db2.gz FJGRXOLHVMWSBN-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)ccc1F ZINC001470265760 1068654381 /nfs/dbraw/zinc/65/43/81/1068654381.db2.gz VIVLJYAAEUAEDA-MRXNPFEDSA-N -1 3 396.528 3.555 20 0 GHADHM O=C(CCc1ccc(F)c2c1CCCC2)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460803879 1069192490 /nfs/dbraw/zinc/19/24/90/1069192490.db2.gz YPZQAZHBMQATAK-UHFFFAOYSA-N -1 3 383.402 3.595 20 0 GHADHM O=C(CCc1ccc(F)c2c1CCCC2)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460803879 1069192494 /nfs/dbraw/zinc/19/24/94/1069192494.db2.gz YPZQAZHBMQATAK-UHFFFAOYSA-N -1 3 383.402 3.595 20 0 GHADHM CCOC(=O)Cc1cnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC001460956531 1069296162 /nfs/dbraw/zinc/29/61/62/1069296162.db2.gz FSVJNRXCLJPBMX-UHFFFAOYSA-N -1 3 391.836 3.809 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001470788491 1072740087 /nfs/dbraw/zinc/74/00/87/1072740087.db2.gz CBTUOROSLBPUTQ-KBXCAEBGSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001470788491 1072740109 /nfs/dbraw/zinc/74/01/09/1072740109.db2.gz CBTUOROSLBPUTQ-KBXCAEBGSA-N -1 3 398.264 3.546 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(C)cc(Cl)n1 ZINC001471035580 1072895498 /nfs/dbraw/zinc/89/54/98/1072895498.db2.gz XACNQKQJBXAZPT-UHFFFAOYSA-N -1 3 399.838 3.588 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@](C)(Cc2ccccc2)C(C)C)c([O-])c1 ZINC001471141815 1072939277 /nfs/dbraw/zinc/93/92/77/1072939277.db2.gz HQADZDHEBLMNNX-QHCPKHFHSA-N -1 3 382.504 3.594 20 0 GHADHM COc1cc(C(=O)NCc2c(Cl)cccc2OC(F)F)cc(OC)c1[O-] ZINC001471193008 1072961187 /nfs/dbraw/zinc/96/11/87/1072961187.db2.gz SSERNRUORDQCAU-UHFFFAOYSA-N -1 3 387.766 3.594 20 0 GHADHM CCCOc1ccccc1C(=O)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001471229574 1072975026 /nfs/dbraw/zinc/97/50/26/1072975026.db2.gz MKOYFAXJLVIYBV-UHFFFAOYSA-N -1 3 398.846 3.583 20 0 GHADHM C[C@H](NC(=O)C1(CCCOCc2ccccc2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110923 1073338100 /nfs/dbraw/zinc/33/81/00/1073338100.db2.gz LLJIHNCQAQQQCC-ZDUSSCGKSA-N -1 3 396.413 3.778 20 0 GHADHM COC(=O)c1cc(NC(=O)CSCc2cccc(Cl)c2)c([O-])c(OC)c1 ZINC001472228190 1073376395 /nfs/dbraw/zinc/37/63/95/1073376395.db2.gz IFRCETONZHPLIR-UHFFFAOYSA-N -1 3 395.864 3.713 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc([C@H]2CCOC2)c1 ZINC001472241293 1073380005 /nfs/dbraw/zinc/38/00/05/1073380005.db2.gz OHHFSKLCHOAEBE-SFHVURJKSA-N -1 3 391.427 3.523 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccc([C@H]2CCOC2)c1 ZINC001472241293 1073380009 /nfs/dbraw/zinc/38/00/09/1073380009.db2.gz OHHFSKLCHOAEBE-SFHVURJKSA-N -1 3 391.427 3.523 20 0 GHADHM C[S@](=O)(=NC(=O)c1cc(F)cc2[nH]c(=S)[n-]c21)c1ccc(Cl)cc1 ZINC001472332918 1073428922 /nfs/dbraw/zinc/42/89/22/1073428922.db2.gz UNBCNQADWCHMJJ-XMMPIXPASA-N -1 3 383.857 3.941 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](C)Sc3ccccn3)n[n-]2)cc1 ZINC001472357748 1073444186 /nfs/dbraw/zinc/44/41/86/1073444186.db2.gz SVHVDLUIIAKNAJ-ZDUSSCGKSA-N -1 3 385.518 3.920 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc(F)cc(Br)c1F ZINC001472488896 1073509032 /nfs/dbraw/zinc/50/90/32/1073509032.db2.gz MGLMXBSKCUSYCN-UHFFFAOYSA-N -1 3 385.193 3.826 20 0 GHADHM CN(CCNC(=O)c1cc(Cl)cc(Br)c1[O-])Cc1ccccc1 ZINC001472495396 1073512528 /nfs/dbraw/zinc/51/25/28/1073512528.db2.gz YZMYUDSGHSSAFF-UHFFFAOYSA-N -1 3 397.700 3.670 20 0 GHADHM COc1ccc(Oc2ccc(CCNC(=O)c3c([O-])cccc3O)cc2)cc1 ZINC001472532819 1073536189 /nfs/dbraw/zinc/53/61/89/1073536189.db2.gz WFDOSTGVXCAFCZ-UHFFFAOYSA-N -1 3 379.412 3.871 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](C)N(Cc1cc(=O)oc3cc([O-])ccc13)CC2 ZINC001473770733 1074133711 /nfs/dbraw/zinc/13/37/11/1074133711.db2.gz HBOBLHMQMKIUKI-CYBMUJFWSA-N -1 3 381.428 3.635 20 0 GHADHM CN1CCN(c2ccc(NCc3ccc([O-])c(F)c3)cc2Br)CC1 ZINC001474448779 1074410992 /nfs/dbraw/zinc/41/09/92/1074410992.db2.gz NYPQNHOWIBNSOC-UHFFFAOYSA-N -1 3 394.288 3.658 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc([O-])c(F)c2F)C1=O ZINC001474542732 1074456266 /nfs/dbraw/zinc/45/62/66/1074456266.db2.gz UPIKJMGWLWUBJV-BLLLJJGKSA-N -1 3 378.394 3.651 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(F)cc1Br ZINC001475036972 1074701887 /nfs/dbraw/zinc/70/18/87/1074701887.db2.gz RQOKNJJKWSBFQM-UHFFFAOYSA-N -1 3 376.291 3.611 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)s1 ZINC001475119035 1074744742 /nfs/dbraw/zinc/74/47/42/1074744742.db2.gz MKOZWKRZEMFRGC-ZDUSSCGKSA-N -1 3 394.440 3.846 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(Br)c1 ZINC001475128242 1074749105 /nfs/dbraw/zinc/74/91/05/1074749105.db2.gz NEVBJCYOZCBDQV-NSHDSACASA-N -1 3 396.734 3.648 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC001475156418 1074761784 /nfs/dbraw/zinc/76/17/84/1074761784.db2.gz JYPZPMXGMCVJQA-QGZVFWFLSA-N -1 3 391.855 3.645 20 0 GHADHM CS[C@@H](C[N-]S(=O)(=O)c1sc(Br)cc1C)C(C)(C)C ZINC001475188787 1074776703 /nfs/dbraw/zinc/77/67/03/1074776703.db2.gz OTXFEMNVFTUEFT-VIFPVBQESA-N -1 3 386.402 3.875 20 0 GHADHM CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001475324903 1074834423 /nfs/dbraw/zinc/83/44/23/1074834423.db2.gz MIWGMPDOHLDXJL-SECBINFHSA-N -1 3 381.723 3.602 20 0 GHADHM O=S(=O)([N-]Cc1ccc2sccc2c1)c1ccc(Cl)c2nonc21 ZINC001475361442 1074848740 /nfs/dbraw/zinc/84/87/40/1074848740.db2.gz VMUINAGQHHSGHQ-UHFFFAOYSA-N -1 3 379.850 3.569 20 0 GHADHM COc1ccc(Cl)cc1C(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001475416844 1074867238 /nfs/dbraw/zinc/86/72/38/1074867238.db2.gz LCLJMIISEITNIM-UHFFFAOYSA-N -1 3 393.814 3.980 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCN1Cc1ccccc1)c1cc2ccccc2o1 ZINC001475593596 1074922922 /nfs/dbraw/zinc/92/29/22/1074922922.db2.gz ZELMJAHLTTYCIO-LJQANCHMSA-N -1 3 384.501 3.766 20 0 GHADHM O=S(=O)([N-]CC[C@@H](O)C1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC001475605499 1074925585 /nfs/dbraw/zinc/92/55/85/1074925585.db2.gz SFSIJCOZFXMIMU-CYBMUJFWSA-N -1 3 385.835 3.578 20 0 GHADHM O=S(=O)([N-]Cc1cccc2[nH]ccc21)c1cccc(OC(F)(F)F)c1F ZINC001475613424 1074927588 /nfs/dbraw/zinc/92/75/88/1074927588.db2.gz KFCDYVJZQXZUSB-UHFFFAOYSA-N -1 3 388.342 3.684 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1Cl ZINC001475659656 1074994802 /nfs/dbraw/zinc/99/48/02/1074994802.db2.gz SWQUYILKQWKCRR-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM O=S(=O)([N-]Cc1nc2c(s1)CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC001475670779 1074997117 /nfs/dbraw/zinc/99/71/17/1074997117.db2.gz OUGMTHQPCBYBBL-UHFFFAOYSA-N -1 3 396.843 3.783 20 0 GHADHM CCOC(=O)[C@@H](C[C@@H](C)CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001475681639 1074999192 /nfs/dbraw/zinc/99/91/92/1074999192.db2.gz XEQSYFALGQGSBN-CMPLNLGQSA-N -1 3 382.309 3.640 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@@H]1OCCc2ccccc21 ZINC001475721350 1075008577 /nfs/dbraw/zinc/00/85/77/1075008577.db2.gz XRCIEBAKYFXNBU-SFHVURJKSA-N -1 3 389.448 3.863 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2F)C1)c1ccc(Cl)cc1F ZINC001475725269 1075009657 /nfs/dbraw/zinc/00/96/57/1075009657.db2.gz IHXRFHSUKAWQQT-OTCDBFHCSA-N -1 3 375.799 3.982 20 0 GHADHM Cc1ccc(C[C@H](CO)NCc2ccc(-c3ccccc3C(=O)[O-])o2)cc1C ZINC001607774147 1126234560 /nfs/dbraw/zinc/23/45/60/1126234560.db2.gz YGMSELUERZJOLB-GOSISDBHSA-N -1 3 379.456 3.955 20 0 GHADHM COC(=O)c1ccc(Cc2nc(=O)c3c(-c4ccc(OC)cc4)csc3[n-]2)o1 ZINC000045112035 205092741 /nfs/dbraw/zinc/09/27/41/205092741.db2.gz OIZHGAYULXQBMY-UHFFFAOYSA-N -1 3 396.424 3.631 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000736629041 598829183 /nfs/dbraw/zinc/82/91/83/598829183.db2.gz SVBAFEYBGBXIGE-GFCCVEGCSA-N -1 3 386.839 3.936 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000736629041 598829185 /nfs/dbraw/zinc/82/91/85/598829185.db2.gz SVBAFEYBGBXIGE-GFCCVEGCSA-N -1 3 386.839 3.936 20 0 GHADHM O=C(Cc1cccc(F)c1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737968004 598835062 /nfs/dbraw/zinc/83/50/62/598835062.db2.gz CJQJXDGZKCMVQP-UHFFFAOYSA-N -1 3 393.447 3.593 20 0 GHADHM CCCCSCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736464246 598835657 /nfs/dbraw/zinc/83/56/57/598835657.db2.gz WHZVTPXFSICKFW-UHFFFAOYSA-N -1 3 387.534 3.745 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738207313 598866806 /nfs/dbraw/zinc/86/68/06/598866806.db2.gz AIPVXHVRYYXNIY-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738207313 598866808 /nfs/dbraw/zinc/86/68/08/598866808.db2.gz AIPVXHVRYYXNIY-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM Cc1cccnc1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737437236 598888899 /nfs/dbraw/zinc/88/88/99/598888899.db2.gz SJEDZQFEYDSFOL-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000735831835 598889905 /nfs/dbraw/zinc/88/99/05/598889905.db2.gz WBAIHMHVRANNLV-HZPDHXFCSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000735831835 598889906 /nfs/dbraw/zinc/88/99/06/598889906.db2.gz WBAIHMHVRANNLV-HZPDHXFCSA-N -1 3 384.528 3.859 20 0 GHADHM Cc1ncsc1CCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000737245209 598892557 /nfs/dbraw/zinc/89/25/57/598892557.db2.gz LGOSASPEQLJFIN-UHFFFAOYSA-N -1 3 386.428 3.689 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)Oc2ccc(SC)cc2)s1 ZINC000736679230 598911413 /nfs/dbraw/zinc/91/14/13/598911413.db2.gz OVMRYSMOKKMLJJ-JTQLQIEISA-N -1 3 389.506 3.619 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)Oc2ccc(SC)cc2)s1 ZINC000736679230 598911415 /nfs/dbraw/zinc/91/14/15/598911415.db2.gz OVMRYSMOKKMLJJ-JTQLQIEISA-N -1 3 389.506 3.619 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924836 598912330 /nfs/dbraw/zinc/91/23/30/598912330.db2.gz VTABKHJALKCXJW-ZWKOTPCHSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924836 598912331 /nfs/dbraw/zinc/91/23/31/598912331.db2.gz VTABKHJALKCXJW-ZWKOTPCHSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1coc2ccccc12 ZINC000735875073 598924312 /nfs/dbraw/zinc/92/43/12/598924312.db2.gz ZEKTXMCLWNOMQZ-UHFFFAOYSA-N -1 3 390.447 3.733 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1coc2ccccc12 ZINC000735875073 598924313 /nfs/dbraw/zinc/92/43/13/598924313.db2.gz ZEKTXMCLWNOMQZ-UHFFFAOYSA-N -1 3 390.447 3.733 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735703642 598925759 /nfs/dbraw/zinc/92/57/59/598925759.db2.gz VXBMFESZBUIQLH-HNNXBMFYSA-N -1 3 379.464 3.562 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735703642 598925761 /nfs/dbraw/zinc/92/57/61/598925761.db2.gz VXBMFESZBUIQLH-HNNXBMFYSA-N -1 3 379.464 3.562 20 0 GHADHM CC[C@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000736360816 598927464 /nfs/dbraw/zinc/92/74/64/598927464.db2.gz AERSIXOOVVSHSO-SFHVURJKSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000736360816 598927466 /nfs/dbraw/zinc/92/74/66/598927466.db2.gz AERSIXOOVVSHSO-SFHVURJKSA-N -1 3 379.464 3.610 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737426051 598933670 /nfs/dbraw/zinc/93/36/70/598933670.db2.gz IGOLQNYBHLMKTH-GOSISDBHSA-N -1 3 393.516 3.501 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737426051 598933672 /nfs/dbraw/zinc/93/36/72/598933672.db2.gz IGOLQNYBHLMKTH-GOSISDBHSA-N -1 3 393.516 3.501 20 0 GHADHM Clc1cccc(-c2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)o2)c1 ZINC000737575287 598937027 /nfs/dbraw/zinc/93/70/27/598937027.db2.gz PBSKCVZTNTYATI-UHFFFAOYSA-N -1 3 392.231 3.770 20 0 GHADHM Clc1cccc(-c2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000737575287 598937029 /nfs/dbraw/zinc/93/70/29/598937029.db2.gz PBSKCVZTNTYATI-UHFFFAOYSA-N -1 3 392.231 3.770 20 0 GHADHM C[C@H](COc1ccccc1C(F)(F)F)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736041491 598938327 /nfs/dbraw/zinc/93/83/27/598938327.db2.gz WOGVXVNBSAEJAZ-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM C[C@H](COc1ccccc1C(F)(F)F)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736041491 598938329 /nfs/dbraw/zinc/93/83/29/598938329.db2.gz WOGVXVNBSAEJAZ-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(OCc2cccc(-c3nc(-c4ccncc4)no3)c2)c1 ZINC000738412735 598971267 /nfs/dbraw/zinc/97/12/67/598971267.db2.gz GVJNSYBMJGPSMH-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(OCc2cccc(-c3nc(-c4ccncc4)no3)c2)c1 ZINC000738412735 598971269 /nfs/dbraw/zinc/97/12/69/598971269.db2.gz GVJNSYBMJGPSMH-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736450577 599001174 /nfs/dbraw/zinc/00/11/74/599001174.db2.gz ANSAGDFYMKMTFS-INIZCTEOSA-N -1 3 399.520 3.727 20 0 GHADHM CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736450577 599001175 /nfs/dbraw/zinc/00/11/75/599001175.db2.gz ANSAGDFYMKMTFS-INIZCTEOSA-N -1 3 399.520 3.727 20 0 GHADHM CC1(CNC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCCC1 ZINC000736216469 599004637 /nfs/dbraw/zinc/00/46/37/599004637.db2.gz JHLYMAKALBAYNL-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM c1cc(COc2ccc(-c3nn[n-]n3)cc2)cc(-c2nc(-c3ccncc3)no2)c1 ZINC000738413392 599010657 /nfs/dbraw/zinc/01/06/57/599010657.db2.gz PXUGKZBVROXYAT-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cn2)c1C ZINC000737411076 599016150 /nfs/dbraw/zinc/01/61/50/599016150.db2.gz JFDRASTUGJBNEQ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cn2)c1C ZINC000737411076 599016152 /nfs/dbraw/zinc/01/61/52/599016152.db2.gz JFDRASTUGJBNEQ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000736228966 599020668 /nfs/dbraw/zinc/02/06/68/599020668.db2.gz PEZRPWVVYRWFIC-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000736228966 599020669 /nfs/dbraw/zinc/02/06/69/599020669.db2.gz PEZRPWVVYRWFIC-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000737634188 599037847 /nfs/dbraw/zinc/03/78/47/599037847.db2.gz YZTDECCUFWLLPS-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000737634188 599037850 /nfs/dbraw/zinc/03/78/50/599037850.db2.gz YZTDECCUFWLLPS-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM COc1ccc(C)cc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737077263 599039341 /nfs/dbraw/zinc/03/93/41/599039341.db2.gz VHICYYDEUZNXMW-JTQLQIEISA-N -1 3 378.358 3.771 20 0 GHADHM COc1ccc(C)cc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737077263 599039344 /nfs/dbraw/zinc/03/93/44/599039344.db2.gz VHICYYDEUZNXMW-JTQLQIEISA-N -1 3 378.358 3.771 20 0 GHADHM Fc1cccc(C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737668757 599047906 /nfs/dbraw/zinc/04/79/06/599047906.db2.gz XJZOSTQRTMTBAY-CYBMUJFWSA-N -1 3 392.360 3.631 20 0 GHADHM Fc1cccc(C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737668757 599047909 /nfs/dbraw/zinc/04/79/09/599047909.db2.gz XJZOSTQRTMTBAY-CYBMUJFWSA-N -1 3 392.360 3.631 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccccc2Br)n1 ZINC000737635928 599049329 /nfs/dbraw/zinc/04/93/29/599049329.db2.gz QNGMPHJSKMNJIY-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccccc2Br)n1 ZINC000737635928 599049332 /nfs/dbraw/zinc/04/93/32/599049332.db2.gz QNGMPHJSKMNJIY-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000821589291 599052806 /nfs/dbraw/zinc/05/28/06/599052806.db2.gz HBDCJDTWSRVOHC-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000819933675 599056818 /nfs/dbraw/zinc/05/68/18/599056818.db2.gz ZJFQVQCJYHLLIU-QGZVFWFLSA-N -1 3 398.442 3.684 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000819933675 599056821 /nfs/dbraw/zinc/05/68/21/599056821.db2.gz ZJFQVQCJYHLLIU-QGZVFWFLSA-N -1 3 398.442 3.684 20 0 GHADHM CN(C)[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000736761881 599058942 /nfs/dbraw/zinc/05/89/42/599058942.db2.gz VSXVSJPXFQVXDU-OAHLLOKOSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC000736761881 599058945 /nfs/dbraw/zinc/05/89/45/599058945.db2.gz VSXVSJPXFQVXDU-OAHLLOKOSA-N -1 3 378.814 3.513 20 0 GHADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC(OCC2CCCCC2)CC1 ZINC000823791811 599059293 /nfs/dbraw/zinc/05/92/93/599059293.db2.gz IXARUHCJRXDTNJ-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC(OCC2CCCCC2)CC1 ZINC000823791811 599059297 /nfs/dbraw/zinc/05/92/97/599059297.db2.gz IXARUHCJRXDTNJ-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM CCn1nc(C)c(Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)c1C ZINC000821568365 599060936 /nfs/dbraw/zinc/06/09/36/599060936.db2.gz RDBFOFWCPQDIFC-UHFFFAOYSA-N -1 3 387.451 3.553 20 0 GHADHM CCn1nc(C)c(Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)c1C ZINC000821568365 599060938 /nfs/dbraw/zinc/06/09/38/599060938.db2.gz RDBFOFWCPQDIFC-UHFFFAOYSA-N -1 3 387.451 3.553 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000736479917 599070521 /nfs/dbraw/zinc/07/05/21/599070521.db2.gz MBTRTMCHBVACCB-WMZOPIPTSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000736479917 599070524 /nfs/dbraw/zinc/07/05/24/599070524.db2.gz MBTRTMCHBVACCB-WMZOPIPTSA-N -1 3 397.429 3.687 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501528 599070993 /nfs/dbraw/zinc/07/09/93/599070993.db2.gz DNZLHNQJKHTHEW-JCURWCKSSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501528 599070997 /nfs/dbraw/zinc/07/09/97/599070997.db2.gz DNZLHNQJKHTHEW-JCURWCKSSA-N -1 3 397.429 3.858 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000735559911 599072499 /nfs/dbraw/zinc/07/24/99/599072499.db2.gz NSMXFILQCGJQEU-CQSZACIVSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000735559911 599072502 /nfs/dbraw/zinc/07/25/02/599072502.db2.gz NSMXFILQCGJQEU-CQSZACIVSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@H](C)S1 ZINC000820766935 599075014 /nfs/dbraw/zinc/07/50/14/599075014.db2.gz FLTQJSAFHZXSGQ-DTORHVGOSA-N -1 3 378.864 3.538 20 0 GHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@H](C)S1 ZINC000820766935 599075016 /nfs/dbraw/zinc/07/50/16/599075016.db2.gz FLTQJSAFHZXSGQ-DTORHVGOSA-N -1 3 378.864 3.538 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000736166507 599083440 /nfs/dbraw/zinc/08/34/40/599083440.db2.gz BCEWTUBNNUGURG-OAHLLOKOSA-N -1 3 395.463 3.589 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736686231 599085270 /nfs/dbraw/zinc/08/52/70/599085270.db2.gz OSGOVEBPWOUQQQ-HGZMWJMZSA-N -1 3 377.448 3.789 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736686231 599085274 /nfs/dbraw/zinc/08/52/74/599085274.db2.gz OSGOVEBPWOUQQQ-HGZMWJMZSA-N -1 3 377.448 3.789 20 0 GHADHM Cn1ccnc1C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000822699072 599091599 /nfs/dbraw/zinc/09/15/99/599091599.db2.gz NDESGYMLRJCWHV-QGZVFWFLSA-N -1 3 379.855 3.650 20 0 GHADHM Cn1ccnc1C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000822699072 599091602 /nfs/dbraw/zinc/09/16/02/599091602.db2.gz NDESGYMLRJCWHV-QGZVFWFLSA-N -1 3 379.855 3.650 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C)C ZINC000737434589 599102203 /nfs/dbraw/zinc/10/22/03/599102203.db2.gz LAXHZJCDDSXVSC-MRXNPFEDSA-N -1 3 396.499 3.645 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(C)C ZINC000737434589 599102204 /nfs/dbraw/zinc/10/22/04/599102204.db2.gz LAXHZJCDDSXVSC-MRXNPFEDSA-N -1 3 396.499 3.645 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820564101 599120806 /nfs/dbraw/zinc/12/08/06/599120806.db2.gz YMAWICOHPIZRGA-JTQLQIEISA-N -1 3 397.287 3.850 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820564101 599120809 /nfs/dbraw/zinc/12/08/09/599120809.db2.gz YMAWICOHPIZRGA-JTQLQIEISA-N -1 3 397.287 3.850 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563009 599121078 /nfs/dbraw/zinc/12/10/78/599121078.db2.gz LDXJZQXJVOXQNH-SNVBAGLBSA-N -1 3 397.287 3.850 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563009 599121079 /nfs/dbraw/zinc/12/10/79/599121079.db2.gz LDXJZQXJVOXQNH-SNVBAGLBSA-N -1 3 397.287 3.850 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCCCCCCO)n1 ZINC000822191683 599124209 /nfs/dbraw/zinc/12/42/09/599124209.db2.gz OBURIHWQBYIPIN-UHFFFAOYSA-N -1 3 375.420 3.624 20 0 GHADHM COc1ccccc1[C@@H](C)SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821882745 599127946 /nfs/dbraw/zinc/12/79/46/599127946.db2.gz JPAVRPQCIPXPCW-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccccc1[C@@H](C)SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821882745 599127949 /nfs/dbraw/zinc/12/79/49/599127949.db2.gz JPAVRPQCIPXPCW-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823066115 599128966 /nfs/dbraw/zinc/12/89/66/599128966.db2.gz MIVBWPMIPNUGPC-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823066115 599128967 /nfs/dbraw/zinc/12/89/67/599128967.db2.gz MIVBWPMIPNUGPC-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM CCCc1nc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)no1 ZINC000821143095 599132898 /nfs/dbraw/zinc/13/28/98/599132898.db2.gz QWZRTDWYYRWJJO-UHFFFAOYSA-N -1 3 395.398 3.746 20 0 GHADHM CCCc1nc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)no1 ZINC000821143095 599132900 /nfs/dbraw/zinc/13/29/00/599132900.db2.gz QWZRTDWYYRWJJO-UHFFFAOYSA-N -1 3 395.398 3.746 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000821401579 599144734 /nfs/dbraw/zinc/14/47/34/599144734.db2.gz XPLUIXJGJVWSFP-ZDUSSCGKSA-N -1 3 383.427 3.612 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000821401579 599144735 /nfs/dbraw/zinc/14/47/35/599144735.db2.gz XPLUIXJGJVWSFP-ZDUSSCGKSA-N -1 3 383.427 3.612 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000737390920 599147589 /nfs/dbraw/zinc/14/75/89/599147589.db2.gz WSXLHFYWGSLJDE-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C ZINC000737390920 599147592 /nfs/dbraw/zinc/14/75/92/599147592.db2.gz WSXLHFYWGSLJDE-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738162169 599148860 /nfs/dbraw/zinc/14/88/60/599148860.db2.gz JNANINHLBBGPEL-UHFFFAOYSA-N -1 3 384.390 3.589 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738162169 599148861 /nfs/dbraw/zinc/14/88/61/599148861.db2.gz JNANINHLBBGPEL-UHFFFAOYSA-N -1 3 384.390 3.589 20 0 GHADHM O=C(CCCC1CCCCC1)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737825692 599149226 /nfs/dbraw/zinc/14/92/26/599149226.db2.gz NTOSIUAESQCWFX-UHFFFAOYSA-N -1 3 396.451 3.711 20 0 GHADHM O=C(CCCC1CCCCC1)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737825692 599149228 /nfs/dbraw/zinc/14/92/28/599149228.db2.gz NTOSIUAESQCWFX-UHFFFAOYSA-N -1 3 396.451 3.711 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000819868443 599150275 /nfs/dbraw/zinc/15/02/75/599150275.db2.gz YBKDYDCQXQVKGX-NSHDSACASA-N -1 3 391.353 3.583 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820868692 599159390 /nfs/dbraw/zinc/15/93/90/599159390.db2.gz BPGANDDDZIXTGT-KGLIPLIRSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820868692 599159393 /nfs/dbraw/zinc/15/93/93/599159393.db2.gz BPGANDDDZIXTGT-KGLIPLIRSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820870658 599160087 /nfs/dbraw/zinc/16/00/87/599160087.db2.gz WWHMGIPVVCITDI-ZIAGYGMSSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820870813 599160532 /nfs/dbraw/zinc/16/05/32/599160532.db2.gz ZZGYWCFPZQSXBG-UONOGXRCSA-N -1 3 380.452 3.609 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820870813 599160536 /nfs/dbraw/zinc/16/05/36/599160536.db2.gz ZZGYWCFPZQSXBG-UONOGXRCSA-N -1 3 380.452 3.609 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737421243 599161635 /nfs/dbraw/zinc/16/16/35/599161635.db2.gz KPXCHQYMNGOBFH-MRXNPFEDSA-N -1 3 395.532 3.718 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737421243 599161636 /nfs/dbraw/zinc/16/16/36/599161636.db2.gz KPXCHQYMNGOBFH-MRXNPFEDSA-N -1 3 395.532 3.718 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233491 599161724 /nfs/dbraw/zinc/16/17/24/599161724.db2.gz PYOYVFNMPREHFX-NHCUHLMSSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233491 599161725 /nfs/dbraw/zinc/16/17/25/599161725.db2.gz PYOYVFNMPREHFX-NHCUHLMSSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1sc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1C ZINC000737564986 599162349 /nfs/dbraw/zinc/16/23/49/599162349.db2.gz UWQAMRLHRLUIIE-UHFFFAOYSA-N -1 3 377.857 3.524 20 0 GHADHM Cc1sc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1C ZINC000737564986 599162351 /nfs/dbraw/zinc/16/23/51/599162351.db2.gz UWQAMRLHRLUIIE-UHFFFAOYSA-N -1 3 377.857 3.524 20 0 GHADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(OC)cc1 ZINC000736389214 599169553 /nfs/dbraw/zinc/16/95/53/599169553.db2.gz BTKFISHLCUMMAF-OAHLLOKOSA-N -1 3 387.440 3.524 20 0 GHADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(OC)cc1 ZINC000736389214 599169554 /nfs/dbraw/zinc/16/95/54/599169554.db2.gz BTKFISHLCUMMAF-OAHLLOKOSA-N -1 3 387.440 3.524 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H]3c3ccco3)c2c1 ZINC000737639785 599169745 /nfs/dbraw/zinc/16/97/45/599169745.db2.gz WXAWMUXUJACDKJ-HNNXBMFYSA-N -1 3 398.373 3.951 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H]3c3ccco3)c2c1 ZINC000737639785 599169747 /nfs/dbraw/zinc/16/97/47/599169747.db2.gz WXAWMUXUJACDKJ-HNNXBMFYSA-N -1 3 398.373 3.951 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1ccc(Cl)cc1 ZINC000738294301 599172195 /nfs/dbraw/zinc/17/21/95/599172195.db2.gz BRTGZLPUERPIIA-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccc(Cl)cc1 ZINC000738294301 599172197 /nfs/dbraw/zinc/17/21/97/599172197.db2.gz BRTGZLPUERPIIA-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000737024328 599179871 /nfs/dbraw/zinc/17/98/71/599179871.db2.gz GEVJSHWFBMWMEJ-UHFFFAOYSA-N -1 3 388.427 3.912 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000737024328 599179873 /nfs/dbraw/zinc/17/98/73/599179873.db2.gz GEVJSHWFBMWMEJ-UHFFFAOYSA-N -1 3 388.427 3.912 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc2ccsc2c1 ZINC000735873620 599181653 /nfs/dbraw/zinc/18/16/53/599181653.db2.gz IVMDXQDXELHTKT-UHFFFAOYSA-N -1 3 378.461 3.527 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc2ccsc2c1 ZINC000735873620 599181656 /nfs/dbraw/zinc/18/16/56/599181656.db2.gz IVMDXQDXELHTKT-UHFFFAOYSA-N -1 3 378.461 3.527 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000735511266 599186861 /nfs/dbraw/zinc/18/68/61/599186861.db2.gz FUYBVMMREFAKJI-JTQLQIEISA-N -1 3 393.344 3.791 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000735511266 599186864 /nfs/dbraw/zinc/18/68/64/599186864.db2.gz FUYBVMMREFAKJI-JTQLQIEISA-N -1 3 393.344 3.791 20 0 GHADHM O=C(c1ccncc1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738291629 599191352 /nfs/dbraw/zinc/19/13/52/599191352.db2.gz ZUQZRZSPGQYWNA-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccncc1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738291629 599191354 /nfs/dbraw/zinc/19/13/54/599191354.db2.gz ZUQZRZSPGQYWNA-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737351186 599195736 /nfs/dbraw/zinc/19/57/36/599195736.db2.gz KLEJZVPQAZGFAH-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737351186 599195738 /nfs/dbraw/zinc/19/57/38/599195738.db2.gz KLEJZVPQAZGFAH-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820555374 599199278 /nfs/dbraw/zinc/19/92/78/599199278.db2.gz KDSQVWMVOABVFG-HNNXBMFYSA-N -1 3 384.443 3.762 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820555374 599199280 /nfs/dbraw/zinc/19/92/80/599199280.db2.gz KDSQVWMVOABVFG-HNNXBMFYSA-N -1 3 384.443 3.762 20 0 GHADHM CCCSCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821139341 599218258 /nfs/dbraw/zinc/21/82/58/599218258.db2.gz USVWOTICYMRBJV-UHFFFAOYSA-N -1 3 387.440 3.880 20 0 GHADHM CCCSCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821139341 599218260 /nfs/dbraw/zinc/21/82/60/599218260.db2.gz USVWOTICYMRBJV-UHFFFAOYSA-N -1 3 387.440 3.880 20 0 GHADHM COC[C@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736969693 599221136 /nfs/dbraw/zinc/22/11/36/599221136.db2.gz MSIAJGVDPVAFKL-NSHDSACASA-N -1 3 388.811 3.504 20 0 GHADHM COC[C@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736969693 599221138 /nfs/dbraw/zinc/22/11/38/599221138.db2.gz MSIAJGVDPVAFKL-NSHDSACASA-N -1 3 388.811 3.504 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000737139610 599231339 /nfs/dbraw/zinc/23/13/39/599231339.db2.gz MLPXIPKNOMSCCG-AWEZNQCLSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000737139610 599231342 /nfs/dbraw/zinc/23/13/42/599231342.db2.gz MLPXIPKNOMSCCG-AWEZNQCLSA-N -1 3 384.871 3.610 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3sccc3-c3nnn[n-]3)ccc2C)c1 ZINC000737435682 599232112 /nfs/dbraw/zinc/23/21/12/599232112.db2.gz BJRVPWPZGHSYJZ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3sccc3-c3nn[n-]n3)ccc2C)c1 ZINC000737435682 599232115 /nfs/dbraw/zinc/23/21/15/599232115.db2.gz BJRVPWPZGHSYJZ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1c(NC(=O)c2csc(Cc3ccccc3F)n2)cccc1-c1nnn[n-]1 ZINC000822116610 607268198 /nfs/dbraw/zinc/26/81/98/607268198.db2.gz VFPRNDOOWXDNTJ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(NC(=O)c2csc(Cc3ccccc3F)n2)cccc1-c1nn[n-]n1 ZINC000822116610 607268199 /nfs/dbraw/zinc/26/81/99/607268199.db2.gz VFPRNDOOWXDNTJ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(NC(=O)CCc2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822068044 607268641 /nfs/dbraw/zinc/26/86/41/607268641.db2.gz OSLLCGMNLMNESI-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1c(NC(=O)CCc2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822068044 607268642 /nfs/dbraw/zinc/26/86/42/607268642.db2.gz OSLLCGMNLMNESI-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403956 599237586 /nfs/dbraw/zinc/23/75/86/599237586.db2.gz NSNLUUQRSBHGRH-JTQLQIEISA-N -1 3 390.419 3.516 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403956 599237587 /nfs/dbraw/zinc/23/75/87/599237587.db2.gz NSNLUUQRSBHGRH-JTQLQIEISA-N -1 3 390.419 3.516 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820173369 599237683 /nfs/dbraw/zinc/23/76/83/599237683.db2.gz BSJPYOGCTWLICW-ZDUSSCGKSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820173369 599237684 /nfs/dbraw/zinc/23/76/84/599237684.db2.gz BSJPYOGCTWLICW-ZDUSSCGKSA-N -1 3 382.493 3.702 20 0 GHADHM CC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736400858 599241058 /nfs/dbraw/zinc/24/10/58/599241058.db2.gz CXTZWBDJKAGBRD-NSHDSACASA-N -1 3 380.399 3.512 20 0 GHADHM CC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736400858 599241059 /nfs/dbraw/zinc/24/10/59/599241059.db2.gz CXTZWBDJKAGBRD-NSHDSACASA-N -1 3 380.399 3.512 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823308441 599244322 /nfs/dbraw/zinc/24/43/22/599244322.db2.gz AHPVHEYMDIEDBH-UHFFFAOYSA-N -1 3 382.399 3.971 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823308441 599244324 /nfs/dbraw/zinc/24/43/24/599244324.db2.gz AHPVHEYMDIEDBH-UHFFFAOYSA-N -1 3 382.399 3.971 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000735654567 599247700 /nfs/dbraw/zinc/24/77/00/599247700.db2.gz GTHYQVJHVJDKJS-CMDGGOBGSA-N -1 3 387.447 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000735654567 599247702 /nfs/dbraw/zinc/24/77/02/599247702.db2.gz GTHYQVJHVJDKJS-CMDGGOBGSA-N -1 3 387.447 3.623 20 0 GHADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501501 599247748 /nfs/dbraw/zinc/24/77/48/599247748.db2.gz CTYLMDJWDFBCFV-CRAIPNDOSA-N -1 3 391.475 3.733 20 0 GHADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501501 599247749 /nfs/dbraw/zinc/24/77/49/599247749.db2.gz CTYLMDJWDFBCFV-CRAIPNDOSA-N -1 3 391.475 3.733 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822085356 607280675 /nfs/dbraw/zinc/28/06/75/607280675.db2.gz YKSIUKFRUWRUHS-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822085356 607280676 /nfs/dbraw/zinc/28/06/76/607280676.db2.gz YKSIUKFRUWRUHS-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM CCCCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821077549 599257794 /nfs/dbraw/zinc/25/77/94/599257794.db2.gz LAKKPQDVQWSRMO-AWEZNQCLSA-N -1 3 380.452 3.928 20 0 GHADHM CCCCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821077549 599257796 /nfs/dbraw/zinc/25/77/96/599257796.db2.gz LAKKPQDVQWSRMO-AWEZNQCLSA-N -1 3 380.452 3.928 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821717743 607295336 /nfs/dbraw/zinc/29/53/36/607295336.db2.gz WXOVMYQWIRLFTQ-UHFFFAOYSA-N -1 3 378.219 3.743 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821717743 607295337 /nfs/dbraw/zinc/29/53/37/607295337.db2.gz WXOVMYQWIRLFTQ-UHFFFAOYSA-N -1 3 378.219 3.743 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822418928 607296025 /nfs/dbraw/zinc/29/60/25/607296025.db2.gz JTEITVVZPFZISF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822418928 607296026 /nfs/dbraw/zinc/29/60/26/607296026.db2.gz JTEITVVZPFZISF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821693774 607310656 /nfs/dbraw/zinc/31/06/56/607310656.db2.gz NDTCJKGYRBLTRB-UHFFFAOYSA-N -1 3 399.398 3.584 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821693774 607310657 /nfs/dbraw/zinc/31/06/57/607310657.db2.gz NDTCJKGYRBLTRB-UHFFFAOYSA-N -1 3 399.398 3.584 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819939645 607314120 /nfs/dbraw/zinc/31/41/20/607314120.db2.gz HNYRVQBENHEOSJ-UHFFFAOYSA-N -1 3 386.481 3.565 20 0 GHADHM COc1ccc(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821671 607317215 /nfs/dbraw/zinc/31/72/15/607317215.db2.gz QGVKCZHHWQXKFZ-MUUNZHRXSA-N -1 3 399.520 3.535 20 0 GHADHM COc1ccc(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821671 607317216 /nfs/dbraw/zinc/31/72/16/607317216.db2.gz QGVKCZHHWQXKFZ-MUUNZHRXSA-N -1 3 399.520 3.535 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821943085 599268391 /nfs/dbraw/zinc/26/83/91/599268391.db2.gz STLDWCZESFYRML-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821943085 599268394 /nfs/dbraw/zinc/26/83/94/599268394.db2.gz STLDWCZESFYRML-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000820380267 599271020 /nfs/dbraw/zinc/27/10/20/599271020.db2.gz OTFBROBOMZZBEB-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000820380267 599271022 /nfs/dbraw/zinc/27/10/22/599271022.db2.gz OTFBROBOMZZBEB-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(F)ccc1F ZINC000736487584 599276608 /nfs/dbraw/zinc/27/66/08/599276608.db2.gz IXHUQFHHDCBAKF-UHFFFAOYSA-N -1 3 386.406 3.538 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC2(C1)CCCCC2 ZINC000823299326 599277577 /nfs/dbraw/zinc/27/75/77/599277577.db2.gz RWZMHZKDQGLRJC-UHFFFAOYSA-N -1 3 392.410 3.656 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC2(C1)CCCCC2 ZINC000823299326 599277579 /nfs/dbraw/zinc/27/75/79/599277579.db2.gz RWZMHZKDQGLRJC-UHFFFAOYSA-N -1 3 392.410 3.656 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820021224 599278913 /nfs/dbraw/zinc/27/89/13/599278913.db2.gz QUZQXTCYFVLGSQ-QGZVFWFLSA-N -1 3 386.406 3.534 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820021224 599278915 /nfs/dbraw/zinc/27/89/15/599278915.db2.gz QUZQXTCYFVLGSQ-QGZVFWFLSA-N -1 3 386.406 3.534 20 0 GHADHM Cc1c2c(sc1NC(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737219923 599279728 /nfs/dbraw/zinc/27/97/28/599279728.db2.gz UIBNJZJVNPVADF-GFCCVEGCSA-N -1 3 383.477 3.521 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000822389375 599282482 /nfs/dbraw/zinc/28/24/82/599282482.db2.gz UINZQRCMDLBEGW-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000822389375 599282486 /nfs/dbraw/zinc/28/24/86/599282486.db2.gz UINZQRCMDLBEGW-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736712793 599285787 /nfs/dbraw/zinc/28/57/87/599285787.db2.gz CGDIATYNIWCANC-AWEZNQCLSA-N -1 3 391.504 3.922 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736712793 599285789 /nfs/dbraw/zinc/28/57/89/599285789.db2.gz CGDIATYNIWCANC-AWEZNQCLSA-N -1 3 391.504 3.922 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccccc2OC(F)F)c1-c1nnn[n-]1 ZINC000736674401 599291864 /nfs/dbraw/zinc/29/18/64/599291864.db2.gz CGSWLFUEESYZDJ-UHFFFAOYSA-N -1 3 393.419 3.582 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccccc2OC(F)F)c1-c1nn[n-]n1 ZINC000736674401 599291866 /nfs/dbraw/zinc/29/18/66/599291866.db2.gz CGSWLFUEESYZDJ-UHFFFAOYSA-N -1 3 393.419 3.582 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000821081815 607333387 /nfs/dbraw/zinc/33/33/87/607333387.db2.gz ASYOLRDURGFABF-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000821081815 607333388 /nfs/dbraw/zinc/33/33/88/607333388.db2.gz ASYOLRDURGFABF-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM Fc1cccc(Sc2nnc(NCCc3ccccc3)s2)c1-c1nnn[n-]1 ZINC000737665740 598236447 /nfs/dbraw/zinc/23/64/47/598236447.db2.gz VBINURYTGMXKNF-UHFFFAOYSA-N -1 3 399.480 3.663 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000737853767 598240159 /nfs/dbraw/zinc/24/01/59/598240159.db2.gz UYJIEOPGDUQSLK-HXUWFJFHSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000737853767 598240160 /nfs/dbraw/zinc/24/01/60/598240160.db2.gz UYJIEOPGDUQSLK-HXUWFJFHSA-N -1 3 393.466 3.562 20 0 GHADHM CCC(CC)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736343118 598263807 /nfs/dbraw/zinc/26/38/07/598263807.db2.gz XKNHVQZHADXBSS-UHFFFAOYSA-N -1 3 381.440 3.612 20 0 GHADHM CCC(CC)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736343118 598263809 /nfs/dbraw/zinc/26/38/09/598263809.db2.gz XKNHVQZHADXBSS-UHFFFAOYSA-N -1 3 381.440 3.612 20 0 GHADHM Cc1occc1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737557948 598267696 /nfs/dbraw/zinc/26/76/96/598267696.db2.gz XZESYUVQKMEIPF-UHFFFAOYSA-N -1 3 390.403 3.882 20 0 GHADHM Cc1occc1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737557948 598267699 /nfs/dbraw/zinc/26/76/99/598267699.db2.gz XZESYUVQKMEIPF-UHFFFAOYSA-N -1 3 390.403 3.882 20 0 GHADHM Cn1c2ccccc2nc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737593448 598275217 /nfs/dbraw/zinc/27/52/17/598275217.db2.gz RFDPGBQWWZEPEJ-NRFANRHFSA-N -1 3 395.470 3.633 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc(Cn3cccn3)c2)ccc1-c1nnn[n-]1 ZINC000737632162 598277229 /nfs/dbraw/zinc/27/72/29/598277229.db2.gz KVBLHXODPNHLLJ-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc(Cn3cccn3)c2)ccc1-c1nn[n-]n1 ZINC000737632162 598277230 /nfs/dbraw/zinc/27/72/30/598277230.db2.gz KVBLHXODPNHLLJ-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737463908 598288618 /nfs/dbraw/zinc/28/86/18/598288618.db2.gz AAXLPAOMPXTJRY-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737463908 598288620 /nfs/dbraw/zinc/28/86/20/598288620.db2.gz AAXLPAOMPXTJRY-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736828173 598288648 /nfs/dbraw/zinc/28/86/48/598288648.db2.gz LOUQRTMRCIRVNS-UHFFFAOYSA-N -1 3 398.470 3.604 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc2n1 ZINC000735921744 598302546 /nfs/dbraw/zinc/30/25/46/598302546.db2.gz ZRYOJMQBKDFXDQ-UHFFFAOYSA-N -1 3 390.422 3.607 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc2n1 ZINC000735921744 598302547 /nfs/dbraw/zinc/30/25/47/598302547.db2.gz ZRYOJMQBKDFXDQ-UHFFFAOYSA-N -1 3 390.422 3.607 20 0 GHADHM CC(C)(C)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735618386 598302848 /nfs/dbraw/zinc/30/28/48/598302848.db2.gz LYNMGZWEMNIEEZ-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CC(C)(C)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735618386 598302850 /nfs/dbraw/zinc/30/28/50/598302850.db2.gz LYNMGZWEMNIEEZ-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(s1)CCCCCC2 ZINC000738102524 598305621 /nfs/dbraw/zinc/30/56/21/598305621.db2.gz PRJMNKMKTZAJLW-UHFFFAOYSA-N -1 3 385.468 3.656 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(s1)CCCCCC2 ZINC000738102524 598305623 /nfs/dbraw/zinc/30/56/23/598305623.db2.gz PRJMNKMKTZAJLW-UHFFFAOYSA-N -1 3 385.468 3.656 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000738098794 598319817 /nfs/dbraw/zinc/31/98/17/598319817.db2.gz CZSGTGDVVWPYPB-PKOBYXMFSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000738098794 598319819 /nfs/dbraw/zinc/31/98/19/598319819.db2.gz CZSGTGDVVWPYPB-PKOBYXMFSA-N -1 3 394.454 3.531 20 0 GHADHM C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736190022 598320458 /nfs/dbraw/zinc/32/04/58/598320458.db2.gz DTBQBLBSDUVLQS-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736190022 598320459 /nfs/dbraw/zinc/32/04/59/598320459.db2.gz DTBQBLBSDUVLQS-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM Cc1cc(N(C)C)ccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737270173 598320804 /nfs/dbraw/zinc/32/08/04/598320804.db2.gz KQLPRUGAXLUWIN-UHFFFAOYSA-N -1 3 387.900 3.703 20 0 GHADHM Cc1cc(N(C)C)ccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737270173 598320805 /nfs/dbraw/zinc/32/08/05/598320805.db2.gz KQLPRUGAXLUWIN-UHFFFAOYSA-N -1 3 387.900 3.703 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736271855 598327357 /nfs/dbraw/zinc/32/73/57/598327357.db2.gz OWCXMNGYBBCLEY-GOEBONIOSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736271855 598327358 /nfs/dbraw/zinc/32/73/58/598327358.db2.gz OWCXMNGYBBCLEY-GOEBONIOSA-N -1 3 395.463 3.595 20 0 GHADHM Cc1c(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)cccc1-c1nnn[n-]1 ZINC000822116367 607354022 /nfs/dbraw/zinc/35/40/22/607354022.db2.gz QLJMGEBJTWYSSV-UHFFFAOYSA-N -1 3 399.458 3.555 20 0 GHADHM Cc1c(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)cccc1-c1nn[n-]n1 ZINC000822116367 607354024 /nfs/dbraw/zinc/35/40/24/607354024.db2.gz QLJMGEBJTWYSSV-UHFFFAOYSA-N -1 3 399.458 3.555 20 0 GHADHM Cc1cccc(C2(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737389708 598365245 /nfs/dbraw/zinc/36/52/45/598365245.db2.gz NNNONUUXXPATSM-UHFFFAOYSA-N -1 3 375.476 3.646 20 0 GHADHM Cc1cccc(C2(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737389708 598365246 /nfs/dbraw/zinc/36/52/46/598365246.db2.gz NNNONUUXXPATSM-UHFFFAOYSA-N -1 3 375.476 3.646 20 0 GHADHM COc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737104425 598378970 /nfs/dbraw/zinc/37/89/70/598378970.db2.gz PDRNKPYWVPRLIK-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737104425 598378971 /nfs/dbraw/zinc/37/89/71/598378971.db2.gz PDRNKPYWVPRLIK-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000736164626 598379110 /nfs/dbraw/zinc/37/91/10/598379110.db2.gz ZFKLFAPJCGHUNT-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000736164626 598379111 /nfs/dbraw/zinc/37/91/11/598379111.db2.gz ZFKLFAPJCGHUNT-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000736164625 598379148 /nfs/dbraw/zinc/37/91/48/598379148.db2.gz ZFKLFAPJCGHUNT-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000736164625 598379150 /nfs/dbraw/zinc/37/91/50/598379150.db2.gz ZFKLFAPJCGHUNT-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000736964363 598381901 /nfs/dbraw/zinc/38/19/01/598381901.db2.gz XIWBPMYZQQRCCY-IFXJQAMLSA-N -1 3 395.463 3.616 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000736964363 598381903 /nfs/dbraw/zinc/38/19/03/598381903.db2.gz XIWBPMYZQQRCCY-IFXJQAMLSA-N -1 3 395.463 3.616 20 0 GHADHM FC(F)(F)COCc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737626700 598388178 /nfs/dbraw/zinc/38/81/78/598388178.db2.gz KCWMLMPSIPIQHH-UHFFFAOYSA-N -1 3 398.776 3.606 20 0 GHADHM FC(F)(F)COCc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737626700 598388180 /nfs/dbraw/zinc/38/81/80/598388180.db2.gz KCWMLMPSIPIQHH-UHFFFAOYSA-N -1 3 398.776 3.606 20 0 GHADHM COc1cc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(C)C ZINC000737043953 598389898 /nfs/dbraw/zinc/38/98/98/598389898.db2.gz YEGMJBSHICGKCL-LLVKDONJSA-N -1 3 388.859 3.884 20 0 GHADHM COc1cc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(C)C ZINC000737043953 598389899 /nfs/dbraw/zinc/38/98/99/598389899.db2.gz YEGMJBSHICGKCL-LLVKDONJSA-N -1 3 388.859 3.884 20 0 GHADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736792359 598393518 /nfs/dbraw/zinc/39/35/18/598393518.db2.gz RCVWFESBMDMLIP-RHSMWYFYSA-N -1 3 384.871 3.519 20 0 GHADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736792359 598393520 /nfs/dbraw/zinc/39/35/20/598393520.db2.gz RCVWFESBMDMLIP-RHSMWYFYSA-N -1 3 384.871 3.519 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC1 ZINC000736211680 598412701 /nfs/dbraw/zinc/41/27/01/598412701.db2.gz ROCLTNLKWZAQJQ-UHFFFAOYSA-N -1 3 393.451 3.708 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC1 ZINC000736211680 598412702 /nfs/dbraw/zinc/41/27/02/598412702.db2.gz ROCLTNLKWZAQJQ-UHFFFAOYSA-N -1 3 393.451 3.708 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099604 598416578 /nfs/dbraw/zinc/41/65/78/598416578.db2.gz JOYCJFPYHHWNNO-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099604 598416580 /nfs/dbraw/zinc/41/65/80/598416580.db2.gz JOYCJFPYHHWNNO-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738211911 598418855 /nfs/dbraw/zinc/41/88/55/598418855.db2.gz AJBGSHPMMQOYCR-GOSISDBHSA-N -1 3 391.818 3.862 20 0 GHADHM O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738211911 598418857 /nfs/dbraw/zinc/41/88/57/598418857.db2.gz AJBGSHPMMQOYCR-GOSISDBHSA-N -1 3 391.818 3.862 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736106892 598422146 /nfs/dbraw/zinc/42/21/46/598422146.db2.gz WZBDDQYXYGCMEP-CYBMUJFWSA-N -1 3 377.473 3.891 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736106892 598422148 /nfs/dbraw/zinc/42/21/48/598422148.db2.gz WZBDDQYXYGCMEP-CYBMUJFWSA-N -1 3 377.473 3.891 20 0 GHADHM CCc1cccc(NC(=S)NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000736698511 598431280 /nfs/dbraw/zinc/43/12/80/598431280.db2.gz IWDXVTJCLUMJKR-UHFFFAOYSA-N -1 3 398.561 3.649 20 0 GHADHM CCc1cccc(NC(=S)NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000736698511 598431281 /nfs/dbraw/zinc/43/12/81/598431281.db2.gz IWDXVTJCLUMJKR-UHFFFAOYSA-N -1 3 398.561 3.649 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCc1cccs1 ZINC000738233238 598432030 /nfs/dbraw/zinc/43/20/30/598432030.db2.gz RVYBNRRBZCSWDL-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCc1cccs1 ZINC000738233238 598432033 /nfs/dbraw/zinc/43/20/33/598432033.db2.gz RVYBNRRBZCSWDL-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736389769 598432821 /nfs/dbraw/zinc/43/28/21/598432821.db2.gz FHJUSCRBPMNKNS-GOSISDBHSA-N -1 3 380.448 3.891 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736389769 598432822 /nfs/dbraw/zinc/43/28/22/598432822.db2.gz FHJUSCRBPMNKNS-GOSISDBHSA-N -1 3 380.448 3.891 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737023446 598438076 /nfs/dbraw/zinc/43/80/76/598438076.db2.gz GFCKUVYMSHIMSP-MSOLQXFVSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737023446 598438078 /nfs/dbraw/zinc/43/80/78/598438078.db2.gz GFCKUVYMSHIMSP-MSOLQXFVSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](SCc1ccccc1)C(C)C ZINC000737024027 598441310 /nfs/dbraw/zinc/44/13/10/598441310.db2.gz IYRMITUOOIIHBT-SFHVURJKSA-N -1 3 398.488 3.739 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](SCc1ccccc1)C(C)C ZINC000737024027 598441312 /nfs/dbraw/zinc/44/13/12/598441312.db2.gz IYRMITUOOIIHBT-SFHVURJKSA-N -1 3 398.488 3.739 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736204881 598441999 /nfs/dbraw/zinc/44/19/99/598441999.db2.gz SHJBOXOORBPSON-MRXNPFEDSA-N -1 3 384.443 3.665 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736204881 598442000 /nfs/dbraw/zinc/44/20/00/598442000.db2.gz SHJBOXOORBPSON-MRXNPFEDSA-N -1 3 384.443 3.665 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502985 598442176 /nfs/dbraw/zinc/44/21/76/598442176.db2.gz RNQAEYXGYODFMZ-UTZKEFOASA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502985 598442177 /nfs/dbraw/zinc/44/21/77/598442177.db2.gz RNQAEYXGYODFMZ-UTZKEFOASA-N -1 3 391.475 3.888 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736202047 598446659 /nfs/dbraw/zinc/44/66/59/598446659.db2.gz ZCQFFXJRRZFVNH-AWEZNQCLSA-N -1 3 384.443 3.781 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736202047 598446660 /nfs/dbraw/zinc/44/66/60/598446660.db2.gz ZCQFFXJRRZFVNH-AWEZNQCLSA-N -1 3 384.443 3.781 20 0 GHADHM O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738010196 598451902 /nfs/dbraw/zinc/45/19/02/598451902.db2.gz CJTNJLCJNYFGDS-UHFFFAOYSA-N -1 3 382.855 3.505 20 0 GHADHM O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738010196 598451904 /nfs/dbraw/zinc/45/19/04/598451904.db2.gz CJTNJLCJNYFGDS-UHFFFAOYSA-N -1 3 382.855 3.505 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccccc2)CCCCCC1 ZINC000737964707 598455363 /nfs/dbraw/zinc/45/53/63/598455363.db2.gz YJVXLVGLGWHKSA-UHFFFAOYSA-N -1 3 389.503 3.818 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccccc2)CCCCCC1 ZINC000737964707 598455365 /nfs/dbraw/zinc/45/53/65/598455365.db2.gz YJVXLVGLGWHKSA-UHFFFAOYSA-N -1 3 389.503 3.818 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114620 598479262 /nfs/dbraw/zinc/47/92/62/598479262.db2.gz VBWLKBUONYBTSJ-OAHLLOKOSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114620 598479263 /nfs/dbraw/zinc/47/92/63/598479263.db2.gz VBWLKBUONYBTSJ-OAHLLOKOSA-N -1 3 378.480 3.638 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C1CCCCC1 ZINC000736363405 598480049 /nfs/dbraw/zinc/48/00/49/598480049.db2.gz NQNXTVYSRDJHSL-LJQANCHMSA-N -1 3 382.512 3.900 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C1CCCCC1 ZINC000736363405 598480051 /nfs/dbraw/zinc/48/00/51/598480051.db2.gz NQNXTVYSRDJHSL-LJQANCHMSA-N -1 3 382.512 3.900 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000736162002 598489705 /nfs/dbraw/zinc/48/97/05/598489705.db2.gz YPYLQIMWTLSKEE-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000736162002 598489706 /nfs/dbraw/zinc/48/97/06/598489706.db2.gz YPYLQIMWTLSKEE-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM Cc1ccccc1OCCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737431738 598490609 /nfs/dbraw/zinc/49/06/09/598490609.db2.gz LWVFHEYVXXFYCT-UHFFFAOYSA-N -1 3 382.468 3.529 20 0 GHADHM Cc1ccccc1OCCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737431738 598490611 /nfs/dbraw/zinc/49/06/11/598490611.db2.gz LWVFHEYVXXFYCT-UHFFFAOYSA-N -1 3 382.468 3.529 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736156922 598491635 /nfs/dbraw/zinc/49/16/35/598491635.db2.gz GBEKNQCGVQCNMX-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736156922 598491638 /nfs/dbraw/zinc/49/16/38/598491638.db2.gz GBEKNQCGVQCNMX-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)c1cccnc1C ZINC000737280230 598493567 /nfs/dbraw/zinc/49/35/67/598493567.db2.gz OPFGYPRNNAMFSN-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cccnc1C ZINC000737280230 598493569 /nfs/dbraw/zinc/49/35/69/598493569.db2.gz OPFGYPRNNAMFSN-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737970871 598495282 /nfs/dbraw/zinc/49/52/82/598495282.db2.gz ZKLRSKVEQKCIRE-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737970871 598495283 /nfs/dbraw/zinc/49/52/83/598495283.db2.gz ZKLRSKVEQKCIRE-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NCC1CCC(c2ccccc2)CC1 ZINC000738115559 598512276 /nfs/dbraw/zinc/51/22/76/598512276.db2.gz FGLVDMZCOCSADS-UHFFFAOYSA-N -1 3 390.491 3.640 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NCC1CCC(c2ccccc2)CC1 ZINC000738115559 598512279 /nfs/dbraw/zinc/51/22/79/598512279.db2.gz FGLVDMZCOCSADS-UHFFFAOYSA-N -1 3 390.491 3.640 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737452750 598517814 /nfs/dbraw/zinc/51/78/14/598517814.db2.gz KKLZSNIOHQUENT-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737452750 598517815 /nfs/dbraw/zinc/51/78/15/598517815.db2.gz KKLZSNIOHQUENT-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cccc3ccccc32)c1-c1nnn[n-]1 ZINC000736675715 598518720 /nfs/dbraw/zinc/51/87/20/598518720.db2.gz KTRBLSTUWOIVTK-UHFFFAOYSA-N -1 3 393.472 3.970 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cccc3ccccc32)c1-c1nn[n-]n1 ZINC000736675715 598518721 /nfs/dbraw/zinc/51/87/21/598518721.db2.gz KTRBLSTUWOIVTK-UHFFFAOYSA-N -1 3 393.472 3.970 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cccc1OCC(F)(F)F ZINC000737218556 598527881 /nfs/dbraw/zinc/52/78/81/598527881.db2.gz MBNGLOCMDCGSTJ-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cccc1OCC(F)(F)F ZINC000737218556 598527883 /nfs/dbraw/zinc/52/78/83/598527883.db2.gz MBNGLOCMDCGSTJ-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737856618 598531381 /nfs/dbraw/zinc/53/13/81/598531381.db2.gz ABDPGKKWMSCHLM-UHFFFAOYSA-N -1 3 392.459 3.864 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737856618 598531382 /nfs/dbraw/zinc/53/13/82/598531382.db2.gz ABDPGKKWMSCHLM-UHFFFAOYSA-N -1 3 392.459 3.864 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736271388 598540061 /nfs/dbraw/zinc/54/00/61/598540061.db2.gz MTSXIBUSNFJWBD-HOCLYGCPSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736247120 598540101 /nfs/dbraw/zinc/54/01/01/598540101.db2.gz ADQXXLAIGVRKOO-CABCVRRESA-N -1 3 395.463 3.595 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737397552 598541150 /nfs/dbraw/zinc/54/11/50/598541150.db2.gz XOQOIFFIXIBYDO-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1ccoc1 ZINC000737279291 598542460 /nfs/dbraw/zinc/54/24/60/598542460.db2.gz IUKOGCKVLMOYLI-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1ccoc1 ZINC000737279291 598542461 /nfs/dbraw/zinc/54/24/61/598542461.db2.gz IUKOGCKVLMOYLI-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM O=C(Cc1ccsc1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737974464 598543995 /nfs/dbraw/zinc/54/39/95/598543995.db2.gz BEMLYJPFMOLQAD-UHFFFAOYSA-N -1 3 391.456 3.688 20 0 GHADHM O=C(Cc1ccsc1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737974464 598543997 /nfs/dbraw/zinc/54/39/97/598543997.db2.gz BEMLYJPFMOLQAD-UHFFFAOYSA-N -1 3 391.456 3.688 20 0 GHADHM CCc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000736682654 598546562 /nfs/dbraw/zinc/54/65/62/598546562.db2.gz KIJGLVZHCPBFAL-UHFFFAOYSA-N -1 3 387.390 3.602 20 0 GHADHM CCc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736682654 598546564 /nfs/dbraw/zinc/54/65/64/598546564.db2.gz KIJGLVZHCPBFAL-UHFFFAOYSA-N -1 3 387.390 3.602 20 0 GHADHM CCCCC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736442767 598549740 /nfs/dbraw/zinc/54/97/40/598549740.db2.gz ZDGGRJHKAKNPPV-IBGZPJMESA-N -1 3 378.480 3.716 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NCC(C)(C)C ZINC000737280829 598559080 /nfs/dbraw/zinc/55/90/80/598559080.db2.gz TXQXLLJUWVYWGS-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NCC(C)(C)C ZINC000737280829 598559081 /nfs/dbraw/zinc/55/90/81/598559081.db2.gz TXQXLLJUWVYWGS-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N(C)CC1CC1 ZINC000737278532 598559411 /nfs/dbraw/zinc/55/94/11/598559411.db2.gz APCOTQPVAXPGFR-UHFFFAOYSA-N -1 3 392.463 3.628 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N(C)CC1CC1 ZINC000737278532 598559413 /nfs/dbraw/zinc/55/94/13/598559413.db2.gz APCOTQPVAXPGFR-UHFFFAOYSA-N -1 3 392.463 3.628 20 0 GHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735603909 598561624 /nfs/dbraw/zinc/56/16/24/598561624.db2.gz PWUDRHXILHMUPC-LBPRGKRZSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735603909 598561626 /nfs/dbraw/zinc/56/16/26/598561626.db2.gz PWUDRHXILHMUPC-LBPRGKRZSA-N -1 3 394.426 3.901 20 0 GHADHM O=C(NCCC1CCCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738055673 598562659 /nfs/dbraw/zinc/56/26/59/598562659.db2.gz OYMKYRNPZNGJOW-UHFFFAOYSA-N -1 3 380.399 3.560 20 0 GHADHM O=C(NCCC1CCCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738055673 598562660 /nfs/dbraw/zinc/56/26/60/598562660.db2.gz OYMKYRNPZNGJOW-UHFFFAOYSA-N -1 3 380.399 3.560 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000738190165 598575364 /nfs/dbraw/zinc/57/53/64/598575364.db2.gz AQYBTPXUYMBYGC-UHFFFAOYSA-N -1 3 399.458 3.709 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000738190165 598575365 /nfs/dbraw/zinc/57/53/65/598575365.db2.gz AQYBTPXUYMBYGC-UHFFFAOYSA-N -1 3 399.458 3.709 20 0 GHADHM FC(F)(F)c1cc(N2CCC(OC3CCCC3)CC2)ccc1-c1nnn[n-]1 ZINC000737632610 598579835 /nfs/dbraw/zinc/57/98/35/598579835.db2.gz LUMOHCOQQDKTTC-UHFFFAOYSA-N -1 3 381.402 3.814 20 0 GHADHM FC(F)(F)c1cc(N2CCC(OC3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000737632610 598579836 /nfs/dbraw/zinc/57/98/36/598579836.db2.gz LUMOHCOQQDKTTC-UHFFFAOYSA-N -1 3 381.402 3.814 20 0 GHADHM FC(F)(F)Sc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737626713 598582386 /nfs/dbraw/zinc/58/23/86/598582386.db2.gz KLARWRREVLYGAF-UHFFFAOYSA-N -1 3 381.383 3.970 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736164490 598583059 /nfs/dbraw/zinc/58/30/59/598583059.db2.gz OVLMDHQKIVKNMI-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736164490 598583060 /nfs/dbraw/zinc/58/30/60/598583060.db2.gz OVLMDHQKIVKNMI-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM Fc1cc(Cl)cc2c1N(C(=S)Nc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737643990 598586736 /nfs/dbraw/zinc/58/67/36/598586736.db2.gz IXZUQMQSCPDBRY-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM Fc1cc(Cl)cc2c1N(C(=S)Nc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737643990 598586737 /nfs/dbraw/zinc/58/67/37/598586737.db2.gz IXZUQMQSCPDBRY-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735639121 598588825 /nfs/dbraw/zinc/58/88/25/598588825.db2.gz BBPNQHKJSSKAQY-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735639121 598588827 /nfs/dbraw/zinc/58/88/27/598588827.db2.gz BBPNQHKJSSKAQY-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CN(Cc1csc(-c2ccccc2F)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736818428 598614300 /nfs/dbraw/zinc/61/43/00/598614300.db2.gz PMMIKPKNSVWIQZ-UHFFFAOYSA-N -1 3 380.452 3.761 20 0 GHADHM CN(Cc1csc(-c2ccccc2F)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736818428 598614302 /nfs/dbraw/zinc/61/43/02/598614302.db2.gz PMMIKPKNSVWIQZ-UHFFFAOYSA-N -1 3 380.452 3.761 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000736236797 598624752 /nfs/dbraw/zinc/62/47/52/598624752.db2.gz LCVUNVYUUMUENE-IAQYHMDHSA-N -1 3 396.426 3.919 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000736236797 598624753 /nfs/dbraw/zinc/62/47/53/598624753.db2.gz LCVUNVYUUMUENE-IAQYHMDHSA-N -1 3 396.426 3.919 20 0 GHADHM CCCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000736470559 598628627 /nfs/dbraw/zinc/62/86/27/598628627.db2.gz RSYGEIMOGKOMFW-GOSISDBHSA-N -1 3 380.427 3.937 20 0 GHADHM CCCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000736470559 598628628 /nfs/dbraw/zinc/62/86/28/598628628.db2.gz RSYGEIMOGKOMFW-GOSISDBHSA-N -1 3 380.427 3.937 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000738161574 598628900 /nfs/dbraw/zinc/62/89/00/598628900.db2.gz GCKBJHFXUZTUIX-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000738161574 598628903 /nfs/dbraw/zinc/62/89/03/598628903.db2.gz GCKBJHFXUZTUIX-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735914349 598630437 /nfs/dbraw/zinc/63/04/37/598630437.db2.gz XGMIWRIWAWDVBM-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735914349 598630438 /nfs/dbraw/zinc/63/04/38/598630438.db2.gz XGMIWRIWAWDVBM-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM Cc1nccn1-c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000737503089 598634672 /nfs/dbraw/zinc/63/46/72/598634672.db2.gz RWTCKFLXKOZVQD-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Fc1ccc(Oc2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cn2)cc1 ZINC000737655660 598635697 /nfs/dbraw/zinc/63/56/97/598635697.db2.gz BMTOBVJSXQOTQH-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccc(Oc2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cn2)cc1 ZINC000737655660 598635699 /nfs/dbraw/zinc/63/56/99/598635699.db2.gz BMTOBVJSXQOTQH-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1nccs1 ZINC000737226841 598640616 /nfs/dbraw/zinc/64/06/16/598640616.db2.gz FLACVXMTIVTIJZ-UHFFFAOYSA-N -1 3 396.501 3.706 20 0 GHADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1nccs1 ZINC000737226841 598640617 /nfs/dbraw/zinc/64/06/17/598640617.db2.gz FLACVXMTIVTIJZ-UHFFFAOYSA-N -1 3 396.501 3.706 20 0 GHADHM CCc1cccc(C)c1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736696865 598643338 /nfs/dbraw/zinc/64/33/38/598643338.db2.gz CUORUJLFIPYVAQ-UHFFFAOYSA-N -1 3 379.464 3.925 20 0 GHADHM CCc1cccc(C)c1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736696865 598643340 /nfs/dbraw/zinc/64/33/40/598643340.db2.gz CUORUJLFIPYVAQ-UHFFFAOYSA-N -1 3 379.464 3.925 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)c1 ZINC000737253010 598644443 /nfs/dbraw/zinc/64/44/43/598644443.db2.gz NLSLWEZYFXAJQK-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)c1 ZINC000737253010 598644445 /nfs/dbraw/zinc/64/44/45/598644445.db2.gz NLSLWEZYFXAJQK-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM O=C(OC[C@@H]1CC=CCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738219030 598645848 /nfs/dbraw/zinc/64/58/48/598645848.db2.gz KDFASRWSBARBMV-CQSZACIVSA-N -1 3 377.404 3.567 20 0 GHADHM O=C(OC[C@@H]1CC=CCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738219030 598645849 /nfs/dbraw/zinc/64/58/49/598645849.db2.gz KDFASRWSBARBMV-CQSZACIVSA-N -1 3 377.404 3.567 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1Cl ZINC000737941603 598645913 /nfs/dbraw/zinc/64/59/13/598645913.db2.gz NZTGVXRBFQHASV-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1Cl ZINC000737941603 598645914 /nfs/dbraw/zinc/64/59/14/598645914.db2.gz NZTGVXRBFQHASV-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736501257 598649645 /nfs/dbraw/zinc/64/96/45/598649645.db2.gz BUWCAHJDJLRSFL-UHFFFAOYSA-N -1 3 383.427 3.608 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736501257 598649648 /nfs/dbraw/zinc/64/96/48/598649648.db2.gz BUWCAHJDJLRSFL-UHFFFAOYSA-N -1 3 383.427 3.608 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000736110076 598649743 /nfs/dbraw/zinc/64/97/43/598649743.db2.gz DXKYMDIRDOQEQL-LBPRGKRZSA-N -1 3 379.445 3.582 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000736110076 598649745 /nfs/dbraw/zinc/64/97/45/598649745.db2.gz DXKYMDIRDOQEQL-LBPRGKRZSA-N -1 3 379.445 3.582 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cc(Cl)cc(Cl)c1 ZINC000737949134 598649783 /nfs/dbraw/zinc/64/97/83/598649783.db2.gz XABICMDXWIRYNW-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cc(Cl)cc(Cl)c1 ZINC000737949134 598649785 /nfs/dbraw/zinc/64/97/85/598649785.db2.gz XABICMDXWIRYNW-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735873181 598651570 /nfs/dbraw/zinc/65/15/70/598651570.db2.gz AZTFWJWVTOXALE-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735873181 598651572 /nfs/dbraw/zinc/65/15/72/598651572.db2.gz AZTFWJWVTOXALE-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736277913 598652736 /nfs/dbraw/zinc/65/27/36/598652736.db2.gz NOWLZWMDTNCRFX-MRXNPFEDSA-N -1 3 391.475 3.956 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736277913 598652738 /nfs/dbraw/zinc/65/27/38/598652738.db2.gz NOWLZWMDTNCRFX-MRXNPFEDSA-N -1 3 391.475 3.956 20 0 GHADHM Cc1cccc(C2(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737387769 598658593 /nfs/dbraw/zinc/65/85/93/598658593.db2.gz AXQHEDKQFJPFBL-UHFFFAOYSA-N -1 3 393.516 3.853 20 0 GHADHM Cc1cccc(C2(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737387769 598658595 /nfs/dbraw/zinc/65/85/95/598658595.db2.gz AXQHEDKQFJPFBL-UHFFFAOYSA-N -1 3 393.516 3.853 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736224774 598662757 /nfs/dbraw/zinc/66/27/57/598662757.db2.gz NNXBEPLIDAULOH-GASCZTMLSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736224774 598662759 /nfs/dbraw/zinc/66/27/59/598662759.db2.gz NNXBEPLIDAULOH-GASCZTMLSA-N -1 3 377.448 3.777 20 0 GHADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735752217 598663638 /nfs/dbraw/zinc/66/36/38/598663638.db2.gz ZBXRFKJKMSWAQZ-MOPGFXCFSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735752217 598663639 /nfs/dbraw/zinc/66/36/39/598663639.db2.gz ZBXRFKJKMSWAQZ-MOPGFXCFSA-N -1 3 385.512 3.747 20 0 GHADHM Cc1ccc2c(c1)N(C(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737375519 598668738 /nfs/dbraw/zinc/66/87/38/598668738.db2.gz DBRMZOPIPOYTIM-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM Cc1ccc2c(c1)N(C(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737375519 598668741 /nfs/dbraw/zinc/66/87/41/598668741.db2.gz DBRMZOPIPOYTIM-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738385860 598679300 /nfs/dbraw/zinc/67/93/00/598679300.db2.gz ZFQHWTJHIXZADQ-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738385860 598679302 /nfs/dbraw/zinc/67/93/02/598679302.db2.gz ZFQHWTJHIXZADQ-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735795497 598685668 /nfs/dbraw/zinc/68/56/68/598685668.db2.gz MYUSPDKYNXLACY-KRWDZBQOSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735795497 598685670 /nfs/dbraw/zinc/68/56/70/598685670.db2.gz MYUSPDKYNXLACY-KRWDZBQOSA-N -1 3 392.463 3.705 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736557873 598696553 /nfs/dbraw/zinc/69/65/53/598696553.db2.gz CWXLBWNNAHIEBZ-CQSZACIVSA-N -1 3 399.495 3.676 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736557873 598696555 /nfs/dbraw/zinc/69/65/55/598696555.db2.gz CWXLBWNNAHIEBZ-CQSZACIVSA-N -1 3 399.495 3.676 20 0 GHADHM CCCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736438222 598699116 /nfs/dbraw/zinc/69/91/16/598699116.db2.gz NCJIEXBZAYECAM-LJQANCHMSA-N -1 3 394.479 3.606 20 0 GHADHM CCCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736438222 598699118 /nfs/dbraw/zinc/69/91/18/598699118.db2.gz NCJIEXBZAYECAM-LJQANCHMSA-N -1 3 394.479 3.606 20 0 GHADHM CSc1ccc(Cl)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737190556 598702787 /nfs/dbraw/zinc/70/27/87/598702787.db2.gz NKFKYDDFPSSVKO-UHFFFAOYSA-N -1 3 378.816 3.738 20 0 GHADHM CSc1ccc(Cl)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737190556 598702789 /nfs/dbraw/zinc/70/27/89/598702789.db2.gz NKFKYDDFPSSVKO-UHFFFAOYSA-N -1 3 378.816 3.738 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114557 598716630 /nfs/dbraw/zinc/71/66/30/598716630.db2.gz URSBHFGVBFHPAK-ZDUSSCGKSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114557 598716632 /nfs/dbraw/zinc/71/66/32/598716632.db2.gz URSBHFGVBFHPAK-ZDUSSCGKSA-N -1 3 398.898 3.902 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000738261164 598722587 /nfs/dbraw/zinc/72/25/87/598722587.db2.gz JLHLWLSUEDYBIC-QGZVFWFLSA-N -1 3 393.497 3.778 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000738261164 598722588 /nfs/dbraw/zinc/72/25/88/598722588.db2.gz JLHLWLSUEDYBIC-QGZVFWFLSA-N -1 3 393.497 3.778 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737117697 598735409 /nfs/dbraw/zinc/73/54/09/598735409.db2.gz ZUPZMVGNDOGLQG-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737117697 598735410 /nfs/dbraw/zinc/73/54/10/598735410.db2.gz ZUPZMVGNDOGLQG-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccnc(C2CC2)n1 ZINC000738211610 598754327 /nfs/dbraw/zinc/75/43/27/598754327.db2.gz SKYXDTLZFCJGLG-UHFFFAOYSA-N -1 3 395.492 3.507 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccnc(C2CC2)n1 ZINC000738211610 598754328 /nfs/dbraw/zinc/75/43/28/598754328.db2.gz SKYXDTLZFCJGLG-UHFFFAOYSA-N -1 3 395.492 3.507 20 0 GHADHM COCCSc1ccc([C@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000737014082 598755651 /nfs/dbraw/zinc/75/56/51/598755651.db2.gz NENGTSQRAGPSIU-AWEZNQCLSA-N -1 3 384.509 3.790 20 0 GHADHM COCCSc1ccc([C@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000737014082 598755652 /nfs/dbraw/zinc/75/56/52/598755652.db2.gz NENGTSQRAGPSIU-AWEZNQCLSA-N -1 3 384.509 3.790 20 0 GHADHM Cc1nc([C@@H]2CCCN2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000737473798 598760535 /nfs/dbraw/zinc/76/05/35/598760535.db2.gz HJMZZWDGZQAKEB-IBGZPJMESA-N -1 3 387.447 3.562 20 0 GHADHM Cc1nc([C@@H]2CCCN2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000737473798 598760538 /nfs/dbraw/zinc/76/05/38/598760538.db2.gz HJMZZWDGZQAKEB-IBGZPJMESA-N -1 3 387.447 3.562 20 0 GHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)Cc2ccccc21 ZINC000736291024 598769823 /nfs/dbraw/zinc/76/98/23/598769823.db2.gz TYMRFXMIMVLYMG-LLVKDONJSA-N -1 3 378.386 3.817 20 0 GHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)Cc2ccccc21 ZINC000736291024 598769825 /nfs/dbraw/zinc/76/98/25/598769825.db2.gz TYMRFXMIMVLYMG-LLVKDONJSA-N -1 3 378.386 3.817 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000735875077 598781189 /nfs/dbraw/zinc/78/11/89/598781189.db2.gz ZEZBBASKTUGSNT-UHFFFAOYSA-N -1 3 375.436 3.791 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000735875077 598781192 /nfs/dbraw/zinc/78/11/92/598781192.db2.gz ZEZBBASKTUGSNT-UHFFFAOYSA-N -1 3 375.436 3.791 20 0 GHADHM CCN(C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C(C)C ZINC000736506269 598781965 /nfs/dbraw/zinc/78/19/65/598781965.db2.gz RTRRTOBVCDDDRO-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCN(C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C(C)C ZINC000736506269 598781966 /nfs/dbraw/zinc/78/19/66/598781966.db2.gz RTRRTOBVCDDDRO-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2cc(C)ncn2)cc1 ZINC000737032006 598787783 /nfs/dbraw/zinc/78/77/83/598787783.db2.gz IQOWWFBMUIPAHE-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2cc(C)ncn2)cc1 ZINC000737032006 598787785 /nfs/dbraw/zinc/78/77/85/598787785.db2.gz IQOWWFBMUIPAHE-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM Fc1ccc([C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CCC2)cc1 ZINC000737651104 598789617 /nfs/dbraw/zinc/78/96/17/598789617.db2.gz PFKMCWUFBNGVBM-QGZVFWFLSA-N -1 3 382.468 3.834 20 0 GHADHM Fc1ccc([C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CCC2)cc1 ZINC000737651104 598789619 /nfs/dbraw/zinc/78/96/19/598789619.db2.gz PFKMCWUFBNGVBM-QGZVFWFLSA-N -1 3 382.468 3.834 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)c2-c2nnn[n-]2)C1 ZINC000736281340 598789846 /nfs/dbraw/zinc/78/98/46/598789846.db2.gz VEOSPTIKCYATGS-YNEHKIRRSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)c2-c2nn[n-]n2)C1 ZINC000736281340 598789847 /nfs/dbraw/zinc/78/98/47/598789847.db2.gz VEOSPTIKCYATGS-YNEHKIRRSA-N -1 3 389.525 3.587 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC/C=C\c1ccccc1 ZINC000736478808 598798597 /nfs/dbraw/zinc/79/85/97/598798597.db2.gz DDJXBFFENNNLIK-TWGQIWQCSA-N -1 3 376.464 3.502 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC/C=C\c1ccccc1 ZINC000736478808 598798599 /nfs/dbraw/zinc/79/85/99/598798599.db2.gz DDJXBFFENNNLIK-TWGQIWQCSA-N -1 3 376.464 3.502 20 0 GHADHM O=C(NC1CCCCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738021159 598800947 /nfs/dbraw/zinc/80/09/47/598800947.db2.gz ALUSOVWKEQRUIQ-UHFFFAOYSA-N -1 3 398.511 3.532 20 0 GHADHM O=C(NC1CCCCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738021159 598800948 /nfs/dbraw/zinc/80/09/48/598800948.db2.gz ALUSOVWKEQRUIQ-UHFFFAOYSA-N -1 3 398.511 3.532 20 0 GHADHM Clc1cc(NCCCOc2cccc3cccnc32)ccc1-c1nnn[n-]1 ZINC000737566432 598816838 /nfs/dbraw/zinc/81/68/38/598816838.db2.gz SULFARRWCQNLEJ-UHFFFAOYSA-N -1 3 380.839 3.949 20 0 GHADHM Clc1cc(NCCCOc2cccc3cccnc32)ccc1-c1nn[n-]n1 ZINC000737566432 598816840 /nfs/dbraw/zinc/81/68/40/598816840.db2.gz SULFARRWCQNLEJ-UHFFFAOYSA-N -1 3 380.839 3.949 20 0 GHADHM CCC/C=C\C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736440045 598820068 /nfs/dbraw/zinc/82/00/68/598820068.db2.gz XFYYDUAXJDHXKF-WAYWQWQTSA-N -1 3 379.420 3.962 20 0 GHADHM CCC/C=C\C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736440045 598820069 /nfs/dbraw/zinc/82/00/69/598820069.db2.gz XFYYDUAXJDHXKF-WAYWQWQTSA-N -1 3 379.420 3.962 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736478586 598821476 /nfs/dbraw/zinc/82/14/76/598821476.db2.gz DWCNVEYCHXEHES-UHFFFAOYSA-N -1 3 384.484 3.657 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736478586 598821477 /nfs/dbraw/zinc/82/14/77/598821477.db2.gz DWCNVEYCHXEHES-UHFFFAOYSA-N -1 3 384.484 3.657 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821222717 599294715 /nfs/dbraw/zinc/29/47/15/599294715.db2.gz XUOVVXHFZOCVBL-UHFFFAOYSA-N -1 3 390.369 3.940 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821222717 599294717 /nfs/dbraw/zinc/29/47/17/599294717.db2.gz XUOVVXHFZOCVBL-UHFFFAOYSA-N -1 3 390.369 3.940 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cc(F)cc1F ZINC000821104556 599297420 /nfs/dbraw/zinc/29/74/20/599297420.db2.gz IMHOENOPBMAJOU-UHFFFAOYSA-N -1 3 390.369 3.728 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cc(F)cc1F ZINC000821104556 599297421 /nfs/dbraw/zinc/29/74/21/599297421.db2.gz IMHOENOPBMAJOU-UHFFFAOYSA-N -1 3 390.369 3.728 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738195216 599299409 /nfs/dbraw/zinc/29/94/09/599299409.db2.gz AAAAWUXVVBJLML-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738195216 599299412 /nfs/dbraw/zinc/29/94/12/599299412.db2.gz AAAAWUXVVBJLML-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCN(C(=O)Cc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505647 599313491 /nfs/dbraw/zinc/31/34/91/599313491.db2.gz PQVJRXLLRUIRHJ-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505647 599313494 /nfs/dbraw/zinc/31/34/94/599313494.db2.gz PQVJRXLLRUIRHJ-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736349270 599320646 /nfs/dbraw/zinc/32/06/46/599320646.db2.gz DXYZTCDBJRKOQZ-ZDUSSCGKSA-N -1 3 376.386 3.738 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736349270 599320648 /nfs/dbraw/zinc/32/06/48/599320648.db2.gz DXYZTCDBJRKOQZ-ZDUSSCGKSA-N -1 3 376.386 3.738 20 0 GHADHM C[C@H](SCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187968 599330654 /nfs/dbraw/zinc/33/06/54/599330654.db2.gz FDPPDMQQMMAVSF-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@H](SCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187968 599330657 /nfs/dbraw/zinc/33/06/57/599330657.db2.gz FDPPDMQQMMAVSF-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188258 599330747 /nfs/dbraw/zinc/33/07/47/599330747.db2.gz JXTYCZFHJAVCEZ-ZIAGYGMSSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@@H](SCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188258 599330750 /nfs/dbraw/zinc/33/07/50/599330750.db2.gz JXTYCZFHJAVCEZ-ZIAGYGMSSA-N -1 3 379.489 3.639 20 0 GHADHM COCCn1c(C)cc(C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737013778 599331421 /nfs/dbraw/zinc/33/14/21/599331421.db2.gz LFQZNGIKOPDUCE-OAHLLOKOSA-N -1 3 399.520 3.609 20 0 GHADHM COCCn1c(C)cc(C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737013778 599331425 /nfs/dbraw/zinc/33/14/25/599331425.db2.gz LFQZNGIKOPDUCE-OAHLLOKOSA-N -1 3 399.520 3.609 20 0 GHADHM C[C@@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736187975 599339925 /nfs/dbraw/zinc/33/99/25/599339925.db2.gz FQFOKLFOZMNKFI-SNVBAGLBSA-N -1 3 398.879 3.867 20 0 GHADHM C[C@@H](SC1=Nc2ccccc2C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736187975 599339930 /nfs/dbraw/zinc/33/99/30/599339930.db2.gz FQFOKLFOZMNKFI-SNVBAGLBSA-N -1 3 398.879 3.867 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820555464 599341744 /nfs/dbraw/zinc/34/17/44/599341744.db2.gz LKVCTCMHRRMRCS-ZDUSSCGKSA-N -1 3 393.472 3.925 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820555464 599341748 /nfs/dbraw/zinc/34/17/48/599341748.db2.gz LKVCTCMHRRMRCS-ZDUSSCGKSA-N -1 3 393.472 3.925 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1Cl ZINC000823070734 599346620 /nfs/dbraw/zinc/34/66/20/599346620.db2.gz LOMLYQPQSOSHAG-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1Cl ZINC000823070734 599346623 /nfs/dbraw/zinc/34/66/23/599346623.db2.gz LOMLYQPQSOSHAG-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2ccccc21 ZINC000820032415 599348764 /nfs/dbraw/zinc/34/87/64/599348764.db2.gz NNYNWRLHDRBBOJ-IBGZPJMESA-N -1 3 393.516 3.963 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000820032415 599348765 /nfs/dbraw/zinc/34/87/65/599348765.db2.gz NNYNWRLHDRBBOJ-IBGZPJMESA-N -1 3 393.516 3.963 20 0 GHADHM CN(C)c1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588179 599360511 /nfs/dbraw/zinc/36/05/11/599360511.db2.gz GDWKFYCNKXRQGO-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM CN(C)c1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588179 599360514 /nfs/dbraw/zinc/36/05/14/599360514.db2.gz GDWKFYCNKXRQGO-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM O=C(NCCCC1CC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000738056164 599379363 /nfs/dbraw/zinc/37/93/63/599379363.db2.gz ROYYUNJZBKEXGY-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM O=C(NCCCC1CC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000738056164 599379365 /nfs/dbraw/zinc/37/93/65/599379365.db2.gz ROYYUNJZBKEXGY-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735984357 599379805 /nfs/dbraw/zinc/37/98/05/599379805.db2.gz CXJPYYCLIOLMFH-AWEZNQCLSA-N -1 3 397.479 3.983 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735984357 599379807 /nfs/dbraw/zinc/37/98/07/599379807.db2.gz CXJPYYCLIOLMFH-AWEZNQCLSA-N -1 3 397.479 3.983 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415103 607372437 /nfs/dbraw/zinc/37/24/37/607372437.db2.gz RMTRUJZXANCRKT-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415103 607372438 /nfs/dbraw/zinc/37/24/38/607372438.db2.gz RMTRUJZXANCRKT-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM Brc1csc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000735375896 599411137 /nfs/dbraw/zinc/41/11/37/599411137.db2.gz TULDVTSOUZNAOT-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1csc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000735375896 599411138 /nfs/dbraw/zinc/41/11/38/599411138.db2.gz TULDVTSOUZNAOT-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Clc1ccc([C@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCO2)cc1 ZINC000737571204 599415035 /nfs/dbraw/zinc/41/50/35/599415035.db2.gz WHMSMGSHKOBNFS-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCO2)cc1 ZINC000737571204 599415036 /nfs/dbraw/zinc/41/50/36/599415036.db2.gz WHMSMGSHKOBNFS-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000737571263 599430484 /nfs/dbraw/zinc/43/04/84/599430484.db2.gz YVLKLPNWFRSXLK-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000737571263 599430486 /nfs/dbraw/zinc/43/04/86/599430486.db2.gz YVLKLPNWFRSXLK-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000822351849 599440592 /nfs/dbraw/zinc/44/05/92/599440592.db2.gz ROYCCFMUIYYHHF-SFHVURJKSA-N -1 3 382.443 3.511 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000822351849 599440595 /nfs/dbraw/zinc/44/05/95/599440595.db2.gz ROYCCFMUIYYHHF-SFHVURJKSA-N -1 3 382.443 3.511 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192200 599441557 /nfs/dbraw/zinc/44/15/57/599441557.db2.gz GHEIKHWCWKHJPC-UHFFFAOYSA-N -1 3 396.470 3.561 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192200 599441558 /nfs/dbraw/zinc/44/15/58/599441558.db2.gz GHEIKHWCWKHJPC-UHFFFAOYSA-N -1 3 396.470 3.561 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000821104690 599447842 /nfs/dbraw/zinc/44/78/42/599447842.db2.gz NDPYQFUFSZAOMZ-OAHLLOKOSA-N -1 3 398.536 3.729 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000821104690 599447844 /nfs/dbraw/zinc/44/78/44/599447844.db2.gz NDPYQFUFSZAOMZ-OAHLLOKOSA-N -1 3 398.536 3.729 20 0 GHADHM CC1(C)CC[C@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC000820589658 599457909 /nfs/dbraw/zinc/45/79/09/599457909.db2.gz JQYFSRPGFPOPGR-SFHVURJKSA-N -1 3 394.454 3.618 20 0 GHADHM CC1(C)CC[C@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC000820589658 599457911 /nfs/dbraw/zinc/45/79/11/599457911.db2.gz JQYFSRPGFPOPGR-SFHVURJKSA-N -1 3 394.454 3.618 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820108528 599460684 /nfs/dbraw/zinc/46/06/84/599460684.db2.gz MAQSPWBANPGULM-CQSZACIVSA-N -1 3 396.470 3.765 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820108528 599460687 /nfs/dbraw/zinc/46/06/87/599460687.db2.gz MAQSPWBANPGULM-CQSZACIVSA-N -1 3 396.470 3.765 20 0 GHADHM O=C(CCc1cc(Cl)cs1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737854372 599466873 /nfs/dbraw/zinc/46/68/73/599466873.db2.gz ZCOZJVIGTIFEPO-UHFFFAOYSA-N -1 3 399.810 3.754 20 0 GHADHM O=C(CCc1cc(Cl)cs1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737854372 599466875 /nfs/dbraw/zinc/46/68/75/599466875.db2.gz ZCOZJVIGTIFEPO-UHFFFAOYSA-N -1 3 399.810 3.754 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736055965 599467596 /nfs/dbraw/zinc/46/75/96/599467596.db2.gz KDHGNZSTLZBGLG-FWLQQBITSA-N -1 3 381.867 3.623 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736055965 599467598 /nfs/dbraw/zinc/46/75/98/599467598.db2.gz KDHGNZSTLZBGLG-FWLQQBITSA-N -1 3 381.867 3.623 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822350256 599475113 /nfs/dbraw/zinc/47/51/13/599475113.db2.gz BRSJRNCWAFSRGV-BEFAXECRSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822350256 599475116 /nfs/dbraw/zinc/47/51/16/599475116.db2.gz BRSJRNCWAFSRGV-BEFAXECRSA-N -1 3 376.464 3.783 20 0 GHADHM CCO[C@H](C)c1nc(CSCCOc2ccccc2-c2nnn[n-]2)cs1 ZINC000736616354 599480922 /nfs/dbraw/zinc/48/09/22/599480922.db2.gz NWMCMKZRTKTFMN-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM CCO[C@H](C)c1nc(CSCCOc2ccccc2-c2nn[n-]n2)cs1 ZINC000736616354 599480924 /nfs/dbraw/zinc/48/09/24/599480924.db2.gz NWMCMKZRTKTFMN-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821504782 599483864 /nfs/dbraw/zinc/48/38/64/599483864.db2.gz KLDADROEXLWUCU-WCQYABFASA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821504782 599483866 /nfs/dbraw/zinc/48/38/66/599483866.db2.gz KLDADROEXLWUCU-WCQYABFASA-N -1 3 399.524 3.658 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339255 599484790 /nfs/dbraw/zinc/48/47/90/599484790.db2.gz ANTRGMZSIJFOBS-VCBZYWHSSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339255 599484793 /nfs/dbraw/zinc/48/47/93/599484793.db2.gz ANTRGMZSIJFOBS-VCBZYWHSSA-N -1 3 376.464 3.515 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234763 599484898 /nfs/dbraw/zinc/48/48/98/599484898.db2.gz GWZMNZMPHQLIGH-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234763 599484901 /nfs/dbraw/zinc/48/49/01/599484901.db2.gz GWZMNZMPHQLIGH-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348341 599485445 /nfs/dbraw/zinc/48/54/45/599485445.db2.gz BNMPOLGFUCYUQV-JXFKEZNVSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348341 599485448 /nfs/dbraw/zinc/48/54/48/599485448.db2.gz BNMPOLGFUCYUQV-JXFKEZNVSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396242 599504731 /nfs/dbraw/zinc/50/47/31/599504731.db2.gz DIRCDTFRIWFPOQ-SNVBAGLBSA-N -1 3 393.394 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396242 599504734 /nfs/dbraw/zinc/50/47/34/599504734.db2.gz DIRCDTFRIWFPOQ-SNVBAGLBSA-N -1 3 393.394 3.970 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000822210829 599505208 /nfs/dbraw/zinc/50/52/08/599505208.db2.gz SMTCZAONBUTXJT-CVEARBPZSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000822210829 599505210 /nfs/dbraw/zinc/50/52/10/599505210.db2.gz SMTCZAONBUTXJT-CVEARBPZSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397552 599509892 /nfs/dbraw/zinc/50/98/92/599509892.db2.gz QHUXBKBLIOZRGY-OAHLLOKOSA-N -1 3 397.438 3.589 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397552 599509895 /nfs/dbraw/zinc/50/98/95/599509895.db2.gz QHUXBKBLIOZRGY-OAHLLOKOSA-N -1 3 397.438 3.589 20 0 GHADHM C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820315262 599530518 /nfs/dbraw/zinc/53/05/18/599530518.db2.gz MVFPEOUNAHAMIQ-INIZCTEOSA-N -1 3 383.455 3.876 20 0 GHADHM C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820315262 599530520 /nfs/dbraw/zinc/53/05/20/599530520.db2.gz MVFPEOUNAHAMIQ-INIZCTEOSA-N -1 3 383.455 3.876 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000737149174 599537517 /nfs/dbraw/zinc/53/75/17/599537517.db2.gz XAUTUDKYGJFRFM-GFCCVEGCSA-N -1 3 389.381 3.888 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000737149174 599537518 /nfs/dbraw/zinc/53/75/18/599537518.db2.gz XAUTUDKYGJFRFM-GFCCVEGCSA-N -1 3 389.381 3.888 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820316440 599537663 /nfs/dbraw/zinc/53/76/63/599537663.db2.gz VWEYULCFFQZEAV-VXGBXAGGSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820316440 599537665 /nfs/dbraw/zinc/53/76/65/599537665.db2.gz VWEYULCFFQZEAV-VXGBXAGGSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736056862 599539313 /nfs/dbraw/zinc/53/93/13/599539313.db2.gz RUARCAWQUJOMQH-NSHDSACASA-N -1 3 376.338 3.670 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736056862 599539315 /nfs/dbraw/zinc/53/93/15/599539315.db2.gz RUARCAWQUJOMQH-NSHDSACASA-N -1 3 376.338 3.670 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820563274 599563319 /nfs/dbraw/zinc/56/33/19/599563319.db2.gz PLBKFFINMPBHOH-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820563274 599563321 /nfs/dbraw/zinc/56/33/21/599563321.db2.gz PLBKFFINMPBHOH-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738174028 599563735 /nfs/dbraw/zinc/56/37/35/599563735.db2.gz HWJKWVGRNGZGOF-UHFFFAOYSA-N -1 3 396.414 3.739 20 0 GHADHM C[C@@H](Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OC(C)(C)C ZINC000736137154 599598170 /nfs/dbraw/zinc/59/81/70/599598170.db2.gz KLPMKSBCQXLHIT-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H](Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OC(C)(C)C ZINC000736137154 599598173 /nfs/dbraw/zinc/59/81/73/599598173.db2.gz KLPMKSBCQXLHIT-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736139932 599598222 /nfs/dbraw/zinc/59/82/22/599598222.db2.gz SAIZFLJPWSLZJT-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736139932 599598224 /nfs/dbraw/zinc/59/82/24/599598224.db2.gz SAIZFLJPWSLZJT-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821390297 599620661 /nfs/dbraw/zinc/62/06/61/599620661.db2.gz XJEVZOZJCBYTMO-ZDUSSCGKSA-N -1 3 384.411 3.579 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821390297 599620662 /nfs/dbraw/zinc/62/06/62/599620662.db2.gz XJEVZOZJCBYTMO-ZDUSSCGKSA-N -1 3 384.411 3.579 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225507 599621403 /nfs/dbraw/zinc/62/14/03/599621403.db2.gz KBWUYVQXOVNFFE-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225507 599621404 /nfs/dbraw/zinc/62/14/04/599621404.db2.gz KBWUYVQXOVNFFE-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CC(C)C ZINC000822183818 599622979 /nfs/dbraw/zinc/62/29/79/599622979.db2.gz JRWYLLWEKLUULS-UHFFFAOYSA-N -1 3 393.447 3.517 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CC(C)C ZINC000822183818 599622980 /nfs/dbraw/zinc/62/29/80/599622980.db2.gz JRWYLLWEKLUULS-UHFFFAOYSA-N -1 3 393.447 3.517 20 0 GHADHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(F)(F)F ZINC000820511927 599627658 /nfs/dbraw/zinc/62/76/58/599627658.db2.gz FNQSDLCCTMFQBD-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(F)(F)F ZINC000820511927 599627659 /nfs/dbraw/zinc/62/76/59/599627659.db2.gz FNQSDLCCTMFQBD-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859752 599628113 /nfs/dbraw/zinc/62/81/13/599628113.db2.gz SBUNMAAIIFQSFL-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859752 599628114 /nfs/dbraw/zinc/62/81/14/599628114.db2.gz SBUNMAAIIFQSFL-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1SCCc2ccccc21 ZINC000823387822 599629182 /nfs/dbraw/zinc/62/91/82/599629182.db2.gz ZKQLQADJEPGDNO-INIZCTEOSA-N -1 3 397.529 3.776 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1SCCc2ccccc21 ZINC000823387822 599629183 /nfs/dbraw/zinc/62/91/83/599629183.db2.gz ZKQLQADJEPGDNO-INIZCTEOSA-N -1 3 397.529 3.776 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000819971426 599630224 /nfs/dbraw/zinc/63/02/24/599630224.db2.gz KSHNTOIDSMQKDQ-JTSKRJEESA-N -1 3 390.491 3.656 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000819971426 599630225 /nfs/dbraw/zinc/63/02/25/599630225.db2.gz KSHNTOIDSMQKDQ-JTSKRJEESA-N -1 3 390.491 3.656 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000822431741 599630810 /nfs/dbraw/zinc/63/08/10/599630810.db2.gz HXIVZJZRTWFPAI-UHFFFAOYSA-N -1 3 386.456 3.705 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000822431741 599630811 /nfs/dbraw/zinc/63/08/11/599630811.db2.gz HXIVZJZRTWFPAI-UHFFFAOYSA-N -1 3 386.456 3.705 20 0 GHADHM O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823074812 599632529 /nfs/dbraw/zinc/63/25/29/599632529.db2.gz XFRDEEHZWWKLIM-UHFFFAOYSA-N -1 3 399.735 3.859 20 0 GHADHM O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823074812 599632530 /nfs/dbraw/zinc/63/25/30/599632530.db2.gz XFRDEEHZWWKLIM-UHFFFAOYSA-N -1 3 399.735 3.859 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccnc2ccccc21 ZINC000823303758 599634301 /nfs/dbraw/zinc/63/43/01/599634301.db2.gz UKLSDZSIRHXJIM-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccnc2ccccc21 ZINC000823303758 599634302 /nfs/dbraw/zinc/63/43/02/599634302.db2.gz UKLSDZSIRHXJIM-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM Cc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000822240841 599638851 /nfs/dbraw/zinc/63/88/51/599638851.db2.gz BBGMBSMUWMWCMX-UHFFFAOYSA-N -1 3 381.827 3.515 20 0 GHADHM Cc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000822240841 599638852 /nfs/dbraw/zinc/63/88/52/599638852.db2.gz BBGMBSMUWMWCMX-UHFFFAOYSA-N -1 3 381.827 3.515 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cccc(Cl)c1 ZINC000820832886 599649620 /nfs/dbraw/zinc/64/96/20/599649620.db2.gz PERZHEKZKMVNLS-QXMHVHEDSA-N -1 3 383.839 3.961 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cccc(Cl)c1 ZINC000820832886 599649621 /nfs/dbraw/zinc/64/96/21/599649621.db2.gz PERZHEKZKMVNLS-QXMHVHEDSA-N -1 3 383.839 3.961 20 0 GHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820497802 599651017 /nfs/dbraw/zinc/65/10/17/599651017.db2.gz VZRAILOKXUDQII-OAHLLOKOSA-N -1 3 392.459 3.737 20 0 GHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820497802 599651018 /nfs/dbraw/zinc/65/10/18/599651018.db2.gz VZRAILOKXUDQII-OAHLLOKOSA-N -1 3 392.459 3.737 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233062 599668200 /nfs/dbraw/zinc/66/82/00/599668200.db2.gz HLPBZNCAFZNZTG-PMACEKPBSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233062 599668201 /nfs/dbraw/zinc/66/82/01/599668201.db2.gz HLPBZNCAFZNZTG-PMACEKPBSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822432098 599670797 /nfs/dbraw/zinc/67/07/97/599670797.db2.gz WWPZGAIJEVOLEX-UHFFFAOYSA-N -1 3 387.440 3.785 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822432098 599670798 /nfs/dbraw/zinc/67/07/98/599670798.db2.gz WWPZGAIJEVOLEX-UHFFFAOYSA-N -1 3 387.440 3.785 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822233157 599675355 /nfs/dbraw/zinc/67/53/55/599675355.db2.gz ITWGMEOJPBJGJK-SJKOYZFVSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822233157 599675356 /nfs/dbraw/zinc/67/53/56/599675356.db2.gz ITWGMEOJPBJGJK-SJKOYZFVSA-N -1 3 398.442 3.590 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820220402 599679326 /nfs/dbraw/zinc/67/93/26/599679326.db2.gz TYLVOHCBZXAGQG-CQSZACIVSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820220402 599679327 /nfs/dbraw/zinc/67/93/27/599679327.db2.gz TYLVOHCBZXAGQG-CQSZACIVSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340734 599681991 /nfs/dbraw/zinc/68/19/91/599681991.db2.gz NDKXHAJCLAJMJN-CYBMUJFWSA-N -1 3 392.438 3.718 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340734 599681992 /nfs/dbraw/zinc/68/19/92/599681992.db2.gz NDKXHAJCLAJMJN-CYBMUJFWSA-N -1 3 392.438 3.718 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1sccc1-c1nnn[n-]1 ZINC000822958877 599696268 /nfs/dbraw/zinc/69/62/68/599696268.db2.gz LEMLUODSVNQWQY-UHFFFAOYSA-N -1 3 398.311 3.714 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1sccc1-c1nn[n-]n1 ZINC000822958877 599696269 /nfs/dbraw/zinc/69/62/69/599696269.db2.gz LEMLUODSVNQWQY-UHFFFAOYSA-N -1 3 398.311 3.714 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000736274728 599713950 /nfs/dbraw/zinc/71/39/50/599713950.db2.gz WWHLZCYZUMJVCE-HZPDHXFCSA-N -1 3 378.469 3.732 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820161333 607402117 /nfs/dbraw/zinc/40/21/17/607402117.db2.gz VMLZPORAXMFETH-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820161333 607402119 /nfs/dbraw/zinc/40/21/19/607402119.db2.gz VMLZPORAXMFETH-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM O=C([O-])CN(Cc1ccc(F)c(F)c1)Cc1ccc(F)c(Br)c1 ZINC000739795997 599866755 /nfs/dbraw/zinc/86/67/55/599866755.db2.gz YBVOTPGKGOQFTQ-UHFFFAOYSA-N -1 3 388.183 3.953 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826272173 607405957 /nfs/dbraw/zinc/40/59/57/607405957.db2.gz XHDNFUGWTQZTDJ-UHFFFAOYSA-N -1 3 380.376 3.503 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826272173 607405958 /nfs/dbraw/zinc/40/59/58/607405958.db2.gz XHDNFUGWTQZTDJ-UHFFFAOYSA-N -1 3 380.376 3.503 20 0 GHADHM CNC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC000737544440 599977928 /nfs/dbraw/zinc/97/79/28/599977928.db2.gz JEAWITBEZIIGEQ-MRXNPFEDSA-N -1 3 381.259 3.611 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccsc1 ZINC000737084987 600018776 /nfs/dbraw/zinc/01/87/76/600018776.db2.gz HAXGTKMAFJVSJL-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000736662509 600047714 /nfs/dbraw/zinc/04/77/14/600047714.db2.gz PRSZZGHRIFSQIA-OPAMFIHVSA-N -1 3 388.467 3.529 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825705213 607415924 /nfs/dbraw/zinc/41/59/24/607415924.db2.gz YVZOKUPQPQKSEH-HNNXBMFYSA-N -1 3 375.476 3.728 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825705213 607415925 /nfs/dbraw/zinc/41/59/25/607415925.db2.gz YVZOKUPQPQKSEH-HNNXBMFYSA-N -1 3 375.476 3.728 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824731500 607432765 /nfs/dbraw/zinc/43/27/65/607432765.db2.gz WGTWJDWQRJWOFR-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824731500 607432767 /nfs/dbraw/zinc/43/27/67/607432767.db2.gz WGTWJDWQRJWOFR-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM O=C([O-])NCc1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739987821 600348591 /nfs/dbraw/zinc/34/85/91/600348591.db2.gz GFASXWRZZZVBTM-HXUWFJFHSA-N -1 3 396.491 3.630 20 0 GHADHM Cc1ccc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000738515032 600399419 /nfs/dbraw/zinc/39/94/19/600399419.db2.gz OKHWKMVPSPGMBD-QGZVFWFLSA-N -1 3 392.908 3.730 20 0 GHADHM O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000738508536 600400316 /nfs/dbraw/zinc/40/03/16/600400316.db2.gz SCTVPMJEJHCXIZ-SFHVURJKSA-N -1 3 388.851 3.522 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000739484480 600404097 /nfs/dbraw/zinc/40/40/97/600404097.db2.gz VYRWVERWYVQQJL-GOSISDBHSA-N -1 3 390.842 3.956 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000737367790 600407584 /nfs/dbraw/zinc/40/75/84/600407584.db2.gz FBJJBLDWTGZEIC-UHFFFAOYSA-N -1 3 382.416 3.600 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc(Cl)c1 ZINC000426741159 600428376 /nfs/dbraw/zinc/42/83/76/600428376.db2.gz KKJOGDFSQAEDIQ-AWEZNQCLSA-N -1 3 398.640 3.747 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)cc1 ZINC000739501249 600430643 /nfs/dbraw/zinc/43/06/43/600430643.db2.gz UUGNTPIVYCMGPU-QGZVFWFLSA-N -1 3 393.340 3.946 20 0 GHADHM O=C([O-])Nc1ccc(CCN[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000740021189 600453564 /nfs/dbraw/zinc/45/35/64/600453564.db2.gz XPFVCIQBLBWLFU-HXUWFJFHSA-N -1 3 381.476 3.662 20 0 GHADHM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1Cl ZINC000390459686 600540115 /nfs/dbraw/zinc/54/01/15/600540115.db2.gz BNRCQUNKYBPOFR-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1F ZINC000833168195 600750897 /nfs/dbraw/zinc/75/08/97/600750897.db2.gz UIQHCSRWQPJMCX-DYVFJYSZSA-N -1 3 382.357 3.839 20 0 GHADHM O[C@@H](C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673107 607468873 /nfs/dbraw/zinc/46/88/73/607468873.db2.gz IGRUIKPJKDRKBL-KDOFPFPSSA-N -1 3 387.846 3.752 20 0 GHADHM O[C@@H](C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673107 607468874 /nfs/dbraw/zinc/46/88/74/607468874.db2.gz IGRUIKPJKDRKBL-KDOFPFPSSA-N -1 3 387.846 3.752 20 0 GHADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](CNc2ccccn2)C1 ZINC000833171802 600995132 /nfs/dbraw/zinc/99/51/32/600995132.db2.gz QAYKIEZWDHCMTG-SJKOYZFVSA-N -1 3 380.275 3.948 20 0 GHADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000826118440 601097072 /nfs/dbraw/zinc/09/70/72/601097072.db2.gz KHGYUNHLLYJIBV-HXUWFJFHSA-N -1 3 395.503 3.835 20 0 GHADHM CSc1cccc(N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CCN(C)CC2)c1 ZINC000832785034 601156353 /nfs/dbraw/zinc/15/63/53/601156353.db2.gz FXQULPCFSPUEPU-JKSUJKDBSA-N -1 3 390.549 3.727 20 0 GHADHM COc1ccccc1[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)N1CCCC1 ZINC000832597487 601245753 /nfs/dbraw/zinc/24/57/53/601245753.db2.gz YSIHPHPBWGKSIZ-GFCCVEGCSA-N -1 3 381.885 3.752 20 0 GHADHM O=C([O-])c1ccc(OCCN[C@H](Cn2cccn2)c2ccccc2)c(Cl)c1 ZINC000833321512 601321475 /nfs/dbraw/zinc/32/14/75/601321475.db2.gz WDZXWBZNSMWJAU-GOSISDBHSA-N -1 3 385.851 3.645 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)ccc2n1 ZINC000822279604 607501056 /nfs/dbraw/zinc/50/10/56/607501056.db2.gz CDGKIHCMJLTDBC-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)ccc2n1 ZINC000822279604 607501058 /nfs/dbraw/zinc/50/10/58/607501058.db2.gz CDGKIHCMJLTDBC-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1nccn1C[C@@H]1CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833010942 601376403 /nfs/dbraw/zinc/37/64/03/601376403.db2.gz OKPNKVURPCEQSX-SFHVURJKSA-N -1 3 382.489 3.678 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000827688294 601632822 /nfs/dbraw/zinc/63/28/22/601632822.db2.gz UHFADSTXSIXYPP-ZDUSSCGKSA-N -1 3 380.460 3.649 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000826044994 601652853 /nfs/dbraw/zinc/65/28/53/601652853.db2.gz NZUSRMBQBPASPS-PJSUUKDQSA-N -1 3 390.430 3.536 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000826054352 601653374 /nfs/dbraw/zinc/65/33/74/601653374.db2.gz MQUNFUMCOFOPAO-IERDGZPVSA-N -1 3 392.455 3.761 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000826054510 601654518 /nfs/dbraw/zinc/65/45/18/601654518.db2.gz NMSZAFYSHCDKOB-VGSWGCGISA-N -1 3 395.503 3.667 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000426757829 601655977 /nfs/dbraw/zinc/65/59/77/601655977.db2.gz FTYIFMZQANHNLP-MEDUHNTESA-N -1 3 392.249 3.729 20 0 GHADHM CCc1ncsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000825755507 607537435 /nfs/dbraw/zinc/53/74/35/607537435.db2.gz YZQVFVNBJJKCCN-UHFFFAOYSA-N -1 3 388.522 3.858 20 0 GHADHM CCc1ncsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000825755507 607537436 /nfs/dbraw/zinc/53/74/36/607537436.db2.gz YZQVFVNBJJKCCN-UHFFFAOYSA-N -1 3 388.522 3.858 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826283856 607541967 /nfs/dbraw/zinc/54/19/67/607541967.db2.gz CPUQRBGHTMTXBR-SFHVURJKSA-N -1 3 377.427 3.673 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826283856 607541968 /nfs/dbraw/zinc/54/19/68/607541968.db2.gz CPUQRBGHTMTXBR-SFHVURJKSA-N -1 3 377.427 3.673 20 0 GHADHM COc1cccc(-c2nc(CN[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)cs2)c1 ZINC000739942562 602097306 /nfs/dbraw/zinc/09/73/06/602097306.db2.gz KYMPOQCLQCTIJT-DZGCQCFKSA-N -1 3 375.494 3.687 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000826200611 607553580 /nfs/dbraw/zinc/55/35/80/607553580.db2.gz YPYJRBOOFFFUOS-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000826200611 607553582 /nfs/dbraw/zinc/55/35/82/607553582.db2.gz YPYJRBOOFFFUOS-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826199009 607556956 /nfs/dbraw/zinc/55/69/56/607556956.db2.gz OKWBVGUOBYXHMQ-CQSZACIVSA-N -1 3 394.479 3.559 20 0 GHADHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826199009 607556957 /nfs/dbraw/zinc/55/69/57/607556957.db2.gz OKWBVGUOBYXHMQ-CQSZACIVSA-N -1 3 394.479 3.559 20 0 GHADHM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000738817705 602406824 /nfs/dbraw/zinc/40/68/24/602406824.db2.gz SUUFBAQCQJKRDE-RDJZCZTQSA-N -1 3 390.459 3.943 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)cc3F)c2-c2nnn[n-]2)C1 ZINC000824967592 607573433 /nfs/dbraw/zinc/57/34/33/607573433.db2.gz KWRHHTSUVBEDKB-SSDOTTSWSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)cc3F)c2-c2nn[n-]n2)C1 ZINC000824967592 607573436 /nfs/dbraw/zinc/57/34/36/607573436.db2.gz KWRHHTSUVBEDKB-SSDOTTSWSA-N -1 3 393.394 3.723 20 0 GHADHM COc1cc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1NC(=O)[O-] ZINC000739868440 602823067 /nfs/dbraw/zinc/82/30/67/602823067.db2.gz VVAAJYUPVFDDGH-UHFFFAOYSA-N -1 3 390.484 3.513 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000740708003 603035103 /nfs/dbraw/zinc/03/51/03/603035103.db2.gz XGMQLHJMGPTRIK-MRXNPFEDSA-N -1 3 386.427 3.702 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC1CCC(NC(=O)[O-])CC1 ZINC000740127114 603089204 /nfs/dbraw/zinc/08/92/04/603089204.db2.gz KBFZSXIOLRJWGM-UHFFFAOYSA-N -1 3 390.915 3.870 20 0 GHADHM O=C([O-])NC[C@@H]1CCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000832516133 603172765 /nfs/dbraw/zinc/17/27/65/603172765.db2.gz TVDUHGINIBWRJY-YOEHRIQHSA-N -1 3 375.494 3.638 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c(Cl)c1 ZINC000740698060 603251483 /nfs/dbraw/zinc/25/14/83/603251483.db2.gz JYJCPIYTBPTUKK-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM CN(CCC1CC1)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825918720 607617100 /nfs/dbraw/zinc/61/71/00/607617100.db2.gz KBOHJOSGFLVSNW-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CN(CCC1CC1)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825918720 607617101 /nfs/dbraw/zinc/61/71/01/607617101.db2.gz KBOHJOSGFLVSNW-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000740699873 603269761 /nfs/dbraw/zinc/26/97/61/603269761.db2.gz WTFJFOLVKYMEHX-SFHVURJKSA-N -1 3 387.867 3.997 20 0 GHADHM Cc1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1NC(=O)[O-] ZINC000830210924 603306889 /nfs/dbraw/zinc/30/68/89/603306889.db2.gz GIBUHBUJSVPXHK-UHFFFAOYSA-N -1 3 381.476 3.652 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000825423376 603367376 /nfs/dbraw/zinc/36/73/76/603367376.db2.gz PMIYYXGNXZDFQT-INIZCTEOSA-N -1 3 384.480 3.611 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000826246613 607653297 /nfs/dbraw/zinc/65/32/97/607653297.db2.gz HOPFQVAWRQWUBN-SFHVURJKSA-N -1 3 393.447 3.895 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000826246613 607653298 /nfs/dbraw/zinc/65/32/98/607653298.db2.gz HOPFQVAWRQWUBN-SFHVURJKSA-N -1 3 393.447 3.895 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000826250181 607668741 /nfs/dbraw/zinc/66/87/41/607668741.db2.gz OGQCTFCOUQOXCW-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000826250181 607668743 /nfs/dbraw/zinc/66/87/43/607668743.db2.gz OGQCTFCOUQOXCW-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000829602699 604289838 /nfs/dbraw/zinc/28/98/38/604289838.db2.gz WATKBKFJICOPPF-MAUKXSAKSA-N -1 3 384.451 3.822 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000825958493 607694015 /nfs/dbraw/zinc/69/40/15/607694015.db2.gz YLTYCJCLRQBIJQ-UHFFFAOYSA-N -1 3 397.891 3.936 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000825958493 607694017 /nfs/dbraw/zinc/69/40/17/607694017.db2.gz YLTYCJCLRQBIJQ-UHFFFAOYSA-N -1 3 397.891 3.936 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1ccc(F)cc1F ZINC000824293635 607711379 /nfs/dbraw/zinc/71/13/79/607711379.db2.gz UYXNDTOZKMDAPP-UHFFFAOYSA-N -1 3 385.418 3.515 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1ccc(F)cc1F ZINC000824293635 607711381 /nfs/dbraw/zinc/71/13/81/607711381.db2.gz UYXNDTOZKMDAPP-UHFFFAOYSA-N -1 3 385.418 3.515 20 0 GHADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000833770957 604760271 /nfs/dbraw/zinc/76/02/71/604760271.db2.gz RUEVXEGXRZREIH-QGZVFWFLSA-N -1 3 383.366 3.623 20 0 GHADHM O=C([O-])c1cc(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c[nH]1 ZINC000833779608 604774141 /nfs/dbraw/zinc/77/41/41/604774141.db2.gz NYWQQJUCWTYHEG-OAHLLOKOSA-N -1 3 386.496 3.988 20 0 GHADHM C[C@@]1(NCc2nc(-c3cccc(Br)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833568672 604815340 /nfs/dbraw/zinc/81/53/40/604815340.db2.gz HETIHMROUTTZAG-CXAGYDPISA-N -1 3 394.269 3.622 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000824352503 607718797 /nfs/dbraw/zinc/71/87/97/607718797.db2.gz GAXJNAKNZIWPMH-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000824352503 607718800 /nfs/dbraw/zinc/71/88/00/607718800.db2.gz GAXJNAKNZIWPMH-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1F ZINC000824385627 607721937 /nfs/dbraw/zinc/72/19/37/607721937.db2.gz XXXRSVBIFUYKOG-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1F ZINC000824385627 607721939 /nfs/dbraw/zinc/72/19/39/607721939.db2.gz XXXRSVBIFUYKOG-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000135023915 604948398 /nfs/dbraw/zinc/94/83/98/604948398.db2.gz DUPFONIKSUKENA-CYBMUJFWSA-N -1 3 387.261 3.614 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824802056 607724975 /nfs/dbraw/zinc/72/49/75/607724975.db2.gz KVQHZVMEVQIIRZ-KRWDZBQOSA-N -1 3 397.523 3.843 20 0 GHADHM COc1ccccc1N1CC[C@H](N[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833736605 605069661 /nfs/dbraw/zinc/06/96/61/605069661.db2.gz QODFFHYQFSIPJY-SGTLLEGYSA-N -1 3 395.286 3.996 20 0 GHADHM CC1(C)CN([C@H](CNCc2ccc(C(=O)[O-])o2)c2ccc(Cl)cc2)CCO1 ZINC000833560434 605091491 /nfs/dbraw/zinc/09/14/91/605091491.db2.gz STKSIFQGTPJUSX-QGZVFWFLSA-N -1 3 392.883 3.573 20 0 GHADHM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000833651267 605108469 /nfs/dbraw/zinc/10/84/69/605108469.db2.gz IUTSWNITLZPRQU-XVAXZDLZSA-N -1 3 386.536 3.781 20 0 GHADHM CC(C)(C)c1cn2c(n1)CC[C@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC000833450099 605358578 /nfs/dbraw/zinc/35/85/78/605358578.db2.gz YUBHVABMHDIVIH-GTNSWQLSSA-N -1 3 379.863 3.703 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc(F)c1F ZINC000826459530 607768988 /nfs/dbraw/zinc/76/89/88/607768988.db2.gz NIMAOKDPEAKRDU-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc(F)c1F ZINC000826459530 607768989 /nfs/dbraw/zinc/76/89/89/607768989.db2.gz NIMAOKDPEAKRDU-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826326532 607769739 /nfs/dbraw/zinc/76/97/39/607769739.db2.gz UFJHTMDPHZOTLK-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826326532 607769740 /nfs/dbraw/zinc/76/97/40/607769740.db2.gz UFJHTMDPHZOTLK-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM O=C(C=Cc1cccs1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403040 607769843 /nfs/dbraw/zinc/76/98/43/607769843.db2.gz IOACOBAWIRTDEB-VOTSOKGWSA-N -1 3 380.458 3.704 20 0 GHADHM O=C(C=Cc1cccs1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403040 607769844 /nfs/dbraw/zinc/76/98/44/607769844.db2.gz IOACOBAWIRTDEB-VOTSOKGWSA-N -1 3 380.458 3.704 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825125618 607772126 /nfs/dbraw/zinc/77/21/26/607772126.db2.gz FDGVHTXPUDQEOB-BFFYNSAMSA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825125618 607772127 /nfs/dbraw/zinc/77/21/27/607772127.db2.gz FDGVHTXPUDQEOB-BFFYNSAMSA-N -1 3 379.489 3.567 20 0 GHADHM FC(F)(F)[C@H]1CC(Nc2ccc(-c3nnn[n-]3)nc2)C[C@H](C(F)(F)F)C1 ZINC000822713937 606038744 /nfs/dbraw/zinc/03/87/44/606038744.db2.gz CHRVTQNBIYKKLA-HTQZYQBOSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)[C@H]1CC(Nc2ccc(-c3nn[n-]n3)nc2)C[C@H](C(F)(F)F)C1 ZINC000822713937 606038750 /nfs/dbraw/zinc/03/87/50/606038750.db2.gz CHRVTQNBIYKKLA-HTQZYQBOSA-N -1 3 380.296 3.583 20 0 GHADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819854277 606102401 /nfs/dbraw/zinc/10/24/01/606102401.db2.gz BXXSRGVGGFQUSQ-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819854277 606102402 /nfs/dbraw/zinc/10/24/02/606102402.db2.gz BXXSRGVGGFQUSQ-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000822235184 606103611 /nfs/dbraw/zinc/10/36/11/606103611.db2.gz WRSKOUSCYFCVQJ-UHFFFAOYSA-N -1 3 390.403 3.527 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000822235184 606103613 /nfs/dbraw/zinc/10/36/13/606103613.db2.gz WRSKOUSCYFCVQJ-UHFFFAOYSA-N -1 3 390.403 3.527 20 0 GHADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717862 606109668 /nfs/dbraw/zinc/10/96/68/606109668.db2.gz XWUAVQFNMVYIOH-XOBRGWDASA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717862 606109670 /nfs/dbraw/zinc/10/96/70/606109670.db2.gz XWUAVQFNMVYIOH-XOBRGWDASA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820717740 606109794 /nfs/dbraw/zinc/10/97/94/606109794.db2.gz VOOYJJZLHCHQED-RAUZLDRPSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820717740 606109797 /nfs/dbraw/zinc/10/97/97/606109797.db2.gz VOOYJJZLHCHQED-RAUZLDRPSA-N -1 3 377.423 3.629 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000822217786 606116268 /nfs/dbraw/zinc/11/62/68/606116268.db2.gz NMFUEPOMWSXQTO-SCLBCKFNSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000822217786 606116269 /nfs/dbraw/zinc/11/62/69/606116269.db2.gz NMFUEPOMWSXQTO-SCLBCKFNSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CC12CCCC2 ZINC000822211524 606148109 /nfs/dbraw/zinc/14/81/09/606148109.db2.gz CNWZTFKCOPAZIF-MRXNPFEDSA-N -1 3 390.447 3.881 20 0 GHADHM CO[C@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cs1 ZINC000821675698 606160013 /nfs/dbraw/zinc/16/00/13/606160013.db2.gz RMHDRIWLYRTFLS-CQSZACIVSA-N -1 3 386.525 3.689 20 0 GHADHM CO[C@H](C)c1nc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)cs1 ZINC000821675614 606170957 /nfs/dbraw/zinc/17/09/57/606170957.db2.gz PLBXTQFQUIBMAC-SNVBAGLBSA-N -1 3 388.522 3.515 20 0 GHADHM CO[C@H](C)c1nc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)cs1 ZINC000821675614 606170958 /nfs/dbraw/zinc/17/09/58/606170958.db2.gz PLBXTQFQUIBMAC-SNVBAGLBSA-N -1 3 388.522 3.515 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1csc(CCC(C)C)n1 ZINC000822505665 606177159 /nfs/dbraw/zinc/17/71/59/606177159.db2.gz QTZRQLMNPPVYHZ-UHFFFAOYSA-N -1 3 394.508 3.527 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1csc(CCC(C)C)n1 ZINC000822505665 606177160 /nfs/dbraw/zinc/17/71/60/606177160.db2.gz QTZRQLMNPPVYHZ-UHFFFAOYSA-N -1 3 394.508 3.527 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1ccc(C)s1 ZINC000821099967 606184700 /nfs/dbraw/zinc/18/47/00/606184700.db2.gz QUEHSHGHHQFGSQ-UHFFFAOYSA-N -1 3 383.521 3.998 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1ccc(C)s1 ZINC000821099967 606184702 /nfs/dbraw/zinc/18/47/02/606184702.db2.gz QUEHSHGHHQFGSQ-UHFFFAOYSA-N -1 3 383.521 3.998 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820571480 606219729 /nfs/dbraw/zinc/21/97/29/606219729.db2.gz ZHBPZUVXVXNMGN-INIZCTEOSA-N -1 3 386.459 3.609 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820571480 606219731 /nfs/dbraw/zinc/21/97/31/606219731.db2.gz ZHBPZUVXVXNMGN-INIZCTEOSA-N -1 3 386.459 3.609 20 0 GHADHM CC(=O)CCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819782981 606236517 /nfs/dbraw/zinc/23/65/17/606236517.db2.gz RXOHDNOIJAAVIB-UHFFFAOYSA-N -1 3 382.445 3.544 20 0 GHADHM CC(=O)CCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819782981 606236518 /nfs/dbraw/zinc/23/65/18/606236518.db2.gz RXOHDNOIJAAVIB-UHFFFAOYSA-N -1 3 382.445 3.544 20 0 GHADHM O=C1OC(c2ccc(Cl)c(Cl)c2)=NC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823548245 606244163 /nfs/dbraw/zinc/24/41/63/606244163.db2.gz UWPQWQBHEQQRTR-LFYBBSHMSA-N -1 3 392.227 3.580 20 0 GHADHM O=C1OC(c2ccc(Cl)c(Cl)c2)=NC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823548245 606244164 /nfs/dbraw/zinc/24/41/64/606244164.db2.gz UWPQWQBHEQQRTR-LFYBBSHMSA-N -1 3 392.227 3.580 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820548569 606261628 /nfs/dbraw/zinc/26/16/28/606261628.db2.gz CFZWGMCZLYZYPY-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820548569 606261630 /nfs/dbraw/zinc/26/16/30/606261630.db2.gz CFZWGMCZLYZYPY-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)sc21 ZINC000822604936 606263655 /nfs/dbraw/zinc/26/36/55/606263655.db2.gz RBYOMJRQAOZAEX-UHFFFAOYSA-N -1 3 392.419 3.965 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OC2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645450 606300782 /nfs/dbraw/zinc/30/07/82/606300782.db2.gz ZWVAWPXVJINLSO-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OC2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645450 606300783 /nfs/dbraw/zinc/30/07/83/606300783.db2.gz ZWVAWPXVJINLSO-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM CC(C)(C)c1nc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000819965373 606307127 /nfs/dbraw/zinc/30/71/27/606307127.db2.gz DFIGBDNZDBZMMC-UHFFFAOYSA-N -1 3 392.419 3.919 20 0 GHADHM CC(C)(C)c1nc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000819965373 606307129 /nfs/dbraw/zinc/30/71/29/606307129.db2.gz DFIGBDNZDBZMMC-UHFFFAOYSA-N -1 3 392.419 3.919 20 0 GHADHM COc1cc(CS[C@H](C)C(C)=O)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821717789 606313309 /nfs/dbraw/zinc/31/33/09/606313309.db2.gz YPCFCBPQJCUBAS-CQSZACIVSA-N -1 3 398.488 3.665 20 0 GHADHM COc1cc(CS[C@H](C)C(C)=O)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821717789 606313310 /nfs/dbraw/zinc/31/33/10/606313310.db2.gz YPCFCBPQJCUBAS-CQSZACIVSA-N -1 3 398.488 3.665 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820870259 606324163 /nfs/dbraw/zinc/32/41/63/606324163.db2.gz PWEKRXXCYJGFAX-CQSZACIVSA-N -1 3 383.452 3.547 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820870259 606324164 /nfs/dbraw/zinc/32/41/64/606324164.db2.gz PWEKRXXCYJGFAX-CQSZACIVSA-N -1 3 383.452 3.547 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)Cc2ccc3ccccc3n2)n1 ZINC000822428027 606333169 /nfs/dbraw/zinc/33/31/69/606333169.db2.gz YGKFBUVARBQODB-NSHDSACASA-N -1 3 377.477 3.545 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)Cc2ccc3ccccc3n2)n1 ZINC000822428027 606333172 /nfs/dbraw/zinc/33/31/72/606333172.db2.gz YGKFBUVARBQODB-NSHDSACASA-N -1 3 377.477 3.545 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@H](C)OC(=O)OC(C)C)n1 ZINC000822191650 606333273 /nfs/dbraw/zinc/33/32/73/606333273.db2.gz MYXOXUNGLJEZFX-MRVPVSSYSA-N -1 3 391.375 3.589 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535141 606345518 /nfs/dbraw/zinc/34/55/18/606345518.db2.gz HWVDKRRTOOOOMJ-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535141 606345520 /nfs/dbraw/zinc/34/55/20/606345520.db2.gz HWVDKRRTOOOOMJ-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@@H](OC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513004 606346303 /nfs/dbraw/zinc/34/63/03/606346303.db2.gz RZGUKMHZASRKOH-SECBINFHSA-N -1 3 384.346 3.599 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502737 606349304 /nfs/dbraw/zinc/34/93/04/606349304.db2.gz VGCQOAKXPMPVHS-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502737 606349305 /nfs/dbraw/zinc/34/93/05/606349305.db2.gz VGCQOAKXPMPVHS-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822351096 606352721 /nfs/dbraw/zinc/35/27/21/606352721.db2.gz KOPCZWWIVGILDR-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822351096 606352723 /nfs/dbraw/zinc/35/27/23/606352723.db2.gz KOPCZWWIVGILDR-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM CCCCO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821071920 606361016 /nfs/dbraw/zinc/36/10/16/606361016.db2.gz NMOLXVRSRMEZQC-CQSZACIVSA-N -1 3 382.420 3.770 20 0 GHADHM CCCCO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821071920 606361018 /nfs/dbraw/zinc/36/10/18/606361018.db2.gz NMOLXVRSRMEZQC-CQSZACIVSA-N -1 3 382.420 3.770 20 0 GHADHM CCN(C(=O)c1cnc2ccccc2c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160870 606362962 /nfs/dbraw/zinc/36/29/62/606362962.db2.gz RPEHNIJHBTZDDB-OAHLLOKOSA-N -1 3 386.459 3.947 20 0 GHADHM CCN(C(=O)c1cnc2ccccc2c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160870 606362963 /nfs/dbraw/zinc/36/29/63/606362963.db2.gz RPEHNIJHBTZDDB-OAHLLOKOSA-N -1 3 386.459 3.947 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N[C@@H]1CCCSC1 ZINC000823367018 606383068 /nfs/dbraw/zinc/38/30/68/606383068.db2.gz DERHAAGOBWXFJI-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N[C@@H]1CCCSC1 ZINC000823367018 606383070 /nfs/dbraw/zinc/38/30/70/606383070.db2.gz DERHAAGOBWXFJI-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C1c2ccccc2N[C@@H](c2ccc(-c3nnn[n-]3)s2)N1Cc1ccccc1 ZINC000823551346 606394568 /nfs/dbraw/zinc/39/45/68/606394568.db2.gz NKZZBFFLUCVHNF-LJQANCHMSA-N -1 3 388.456 3.695 20 0 GHADHM Cc1c([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822020817 606401211 /nfs/dbraw/zinc/40/12/11/606401211.db2.gz KFJPDNFJIJETFZ-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM CN(C(=O)Cc1ccc2ccccc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570795 606412410 /nfs/dbraw/zinc/41/24/10/606412410.db2.gz LMPQAKDZLCTIHL-UHFFFAOYSA-N -1 3 377.835 3.879 20 0 GHADHM CN(C(=O)Cc1ccc2ccccc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570795 606412411 /nfs/dbraw/zinc/41/24/11/606412411.db2.gz LMPQAKDZLCTIHL-UHFFFAOYSA-N -1 3 377.835 3.879 20 0 GHADHM CN(C(=O)c1ccccc1Br)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574305 606412918 /nfs/dbraw/zinc/41/29/18/606412918.db2.gz AMBPCRACAYBHBK-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccccc1Br)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574305 606412920 /nfs/dbraw/zinc/41/29/20/606412920.db2.gz AMBPCRACAYBHBK-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820348839 606441153 /nfs/dbraw/zinc/44/11/53/606441153.db2.gz GKOHWJUYQTYXAK-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820348839 606441155 /nfs/dbraw/zinc/44/11/55/606441155.db2.gz GKOHWJUYQTYXAK-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM Cc1nc(-c2cccnc2)nc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000822423291 606444184 /nfs/dbraw/zinc/44/41/84/606444184.db2.gz JAFMGYFDXLWNIU-UHFFFAOYSA-N -1 3 379.811 3.781 20 0 GHADHM Cc1nc(-c2cccnc2)nc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822423291 606444186 /nfs/dbraw/zinc/44/41/86/606444186.db2.gz JAFMGYFDXLWNIU-UHFFFAOYSA-N -1 3 379.811 3.781 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(Cc2ccccc2)CC1 ZINC000823387214 606479439 /nfs/dbraw/zinc/47/94/39/606479439.db2.gz FUBHWDYELOYMLP-UHFFFAOYSA-N -1 3 379.489 3.768 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(Cc2ccccc2)CC1 ZINC000823387214 606479441 /nfs/dbraw/zinc/47/94/41/606479441.db2.gz FUBHWDYELOYMLP-UHFFFAOYSA-N -1 3 379.489 3.768 20 0 GHADHM O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323136 606484582 /nfs/dbraw/zinc/48/45/82/606484582.db2.gz CRKOGAXULAJFFW-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323136 606484584 /nfs/dbraw/zinc/48/45/84/606484584.db2.gz CRKOGAXULAJFFW-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM CCCCN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)CC(F)(F)F ZINC000821064995 606487061 /nfs/dbraw/zinc/48/70/61/606487061.db2.gz DIQHKAPDDMBLSC-UHFFFAOYSA-N -1 3 379.333 3.633 20 0 GHADHM CCCCN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)CC(F)(F)F ZINC000821064995 606487062 /nfs/dbraw/zinc/48/70/62/606487062.db2.gz DIQHKAPDDMBLSC-UHFFFAOYSA-N -1 3 379.333 3.633 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000823104084 606489919 /nfs/dbraw/zinc/48/99/19/606489919.db2.gz QGJYWWXMCJLKJW-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000823104084 606489921 /nfs/dbraw/zinc/48/99/21/606489921.db2.gz QGJYWWXMCJLKJW-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(c1ccccc1)c1ccccc1 ZINC000820392562 606490304 /nfs/dbraw/zinc/49/03/04/606490304.db2.gz VYAZXADRBZBFRJ-CQSZACIVSA-N -1 3 389.484 3.879 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(c1ccccc1)c1ccccc1 ZINC000820392562 606490306 /nfs/dbraw/zinc/49/03/06/606490306.db2.gz VYAZXADRBZBFRJ-CQSZACIVSA-N -1 3 389.484 3.879 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CCC1CCC1 ZINC000821389503 606491601 /nfs/dbraw/zinc/49/16/01/606491601.db2.gz MJMILICHTNHSJW-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CCC1CCC1 ZINC000821389503 606491602 /nfs/dbraw/zinc/49/16/02/606491602.db2.gz MJMILICHTNHSJW-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820570038 606491956 /nfs/dbraw/zinc/49/19/56/606491956.db2.gz BYPLRZXPOMCIOB-VIFPVBQESA-N -1 3 392.282 3.524 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820570038 606491957 /nfs/dbraw/zinc/49/19/57/606491957.db2.gz BYPLRZXPOMCIOB-VIFPVBQESA-N -1 3 392.282 3.524 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000823093132 606512661 /nfs/dbraw/zinc/51/26/61/606512661.db2.gz VHXKFSPUHLIULD-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000823093132 606512663 /nfs/dbraw/zinc/51/26/63/606512663.db2.gz VHXKFSPUHLIULD-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823066341 606535432 /nfs/dbraw/zinc/53/54/32/606535432.db2.gz VLXXPZDGERMYFY-GOSISDBHSA-N -1 3 397.479 3.852 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823066341 606535435 /nfs/dbraw/zinc/53/54/35/606535435.db2.gz VLXXPZDGERMYFY-GOSISDBHSA-N -1 3 397.479 3.852 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000823093415 606552405 /nfs/dbraw/zinc/55/24/05/606552405.db2.gz XJKJCGQSGUMKTM-LJQANCHMSA-N -1 3 381.867 3.720 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000823093415 606552407 /nfs/dbraw/zinc/55/24/07/606552407.db2.gz XJKJCGQSGUMKTM-LJQANCHMSA-N -1 3 381.867 3.720 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000820742165 606572888 /nfs/dbraw/zinc/57/28/88/606572888.db2.gz HUBYXFRYCKINDO-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000820742165 606572890 /nfs/dbraw/zinc/57/28/90/606572890.db2.gz HUBYXFRYCKINDO-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820742167 606574043 /nfs/dbraw/zinc/57/40/43/606574043.db2.gz HUBYXFRYCKINDO-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820742167 606574045 /nfs/dbraw/zinc/57/40/45/606574045.db2.gz HUBYXFRYCKINDO-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000821766604 606577230 /nfs/dbraw/zinc/57/72/30/606577230.db2.gz ZKMYHGBTSBUMGV-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000821766604 606577232 /nfs/dbraw/zinc/57/72/32/606577232.db2.gz ZKMYHGBTSBUMGV-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821154822 606577624 /nfs/dbraw/zinc/57/76/24/606577624.db2.gz SGGOZUWVWSYTEE-HXUWFJFHSA-N -1 3 395.482 3.664 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821154822 606577625 /nfs/dbraw/zinc/57/76/25/606577625.db2.gz SGGOZUWVWSYTEE-HXUWFJFHSA-N -1 3 395.482 3.664 20 0 GHADHM CC1CC(NC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820657928 606577918 /nfs/dbraw/zinc/57/79/18/606577918.db2.gz NOIINFNTPJNYLV-UHFFFAOYSA-N -1 3 379.489 3.687 20 0 GHADHM CC1CC(NC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820657928 606577921 /nfs/dbraw/zinc/57/79/21/606577921.db2.gz NOIINFNTPJNYLV-UHFFFAOYSA-N -1 3 379.489 3.687 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339417 606587664 /nfs/dbraw/zinc/58/76/64/606587664.db2.gz BRJIQUCUQPASND-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339417 606587666 /nfs/dbraw/zinc/58/76/66/606587666.db2.gz BRJIQUCUQPASND-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339416 606587675 /nfs/dbraw/zinc/58/76/75/606587675.db2.gz BRJIQUCUQPASND-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339416 606587677 /nfs/dbraw/zinc/58/76/77/606587677.db2.gz BRJIQUCUQPASND-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)cc1F ZINC000736111124 606588466 /nfs/dbraw/zinc/58/84/66/606588466.db2.gz KHCJUQGEOXOSKF-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)cc1F ZINC000736111124 606588467 /nfs/dbraw/zinc/58/84/67/606588467.db2.gz KHCJUQGEOXOSKF-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM COCc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821695829 606590899 /nfs/dbraw/zinc/59/08/99/606590899.db2.gz JVWOYVBIPBAFKB-UHFFFAOYSA-N -1 3 378.404 3.907 20 0 GHADHM COCc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821695829 606590901 /nfs/dbraw/zinc/59/09/01/606590901.db2.gz JVWOYVBIPBAFKB-UHFFFAOYSA-N -1 3 378.404 3.907 20 0 GHADHM CO[C@@H](C)c1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821674036 606596423 /nfs/dbraw/zinc/59/64/23/606596423.db2.gz RQWRTWMPOICVKV-NSHDSACASA-N -1 3 375.379 3.788 20 0 GHADHM CO[C@@H](C)c1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821674036 606596424 /nfs/dbraw/zinc/59/64/24/606596424.db2.gz RQWRTWMPOICVKV-NSHDSACASA-N -1 3 375.379 3.788 20 0 GHADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1Cl ZINC000821835980 606596975 /nfs/dbraw/zinc/59/69/75/606596975.db2.gz WDASTUFFABBOHL-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1Cl ZINC000821835980 606596976 /nfs/dbraw/zinc/59/69/76/606596976.db2.gz WDASTUFFABBOHL-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM c1c(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc2ccccn12 ZINC000823756548 606597806 /nfs/dbraw/zinc/59/78/06/606597806.db2.gz BJRDOKHMVIWSGN-UHFFFAOYSA-N -1 3 383.415 3.919 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1cn2ccccc2n1 ZINC000822733313 606598798 /nfs/dbraw/zinc/59/87/98/606598798.db2.gz XIASKLSYTBGIIC-UHFFFAOYSA-N -1 3 388.403 3.549 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1cn2ccccc2n1 ZINC000822733313 606598799 /nfs/dbraw/zinc/59/87/99/606598799.db2.gz XIASKLSYTBGIIC-UHFFFAOYSA-N -1 3 388.403 3.549 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822983867 606604554 /nfs/dbraw/zinc/60/45/54/606604554.db2.gz VLOCNBDZTXGLSX-UHFFFAOYSA-N -1 3 393.378 3.962 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822983867 606604556 /nfs/dbraw/zinc/60/45/56/606604556.db2.gz VLOCNBDZTXGLSX-UHFFFAOYSA-N -1 3 393.378 3.962 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823103244 606605837 /nfs/dbraw/zinc/60/58/37/606605837.db2.gz BEGWOIJVVILVKQ-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823103244 606605838 /nfs/dbraw/zinc/60/58/38/606605838.db2.gz BEGWOIJVVILVKQ-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM CC1CC(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)C1 ZINC000820649695 606620011 /nfs/dbraw/zinc/62/00/11/606620011.db2.gz NSWVNFDVUBJXEB-UHFFFAOYSA-N -1 3 381.411 3.569 20 0 GHADHM CC1CC(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)C1 ZINC000820649695 606620012 /nfs/dbraw/zinc/62/00/12/606620012.db2.gz NSWVNFDVUBJXEB-UHFFFAOYSA-N -1 3 381.411 3.569 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(Cl)s1 ZINC000819858031 606625822 /nfs/dbraw/zinc/62/58/22/606625822.db2.gz YDRUDBDFHMUVMF-NSHDSACASA-N -1 3 387.896 3.876 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(Cl)s1 ZINC000819858031 606625823 /nfs/dbraw/zinc/62/58/23/606625823.db2.gz YDRUDBDFHMUVMF-NSHDSACASA-N -1 3 387.896 3.876 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148229 606627748 /nfs/dbraw/zinc/62/77/48/606627748.db2.gz MUDHOJNMOIREBP-HOTGVXAUSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148229 606627750 /nfs/dbraw/zinc/62/77/50/606627750.db2.gz MUDHOJNMOIREBP-HOTGVXAUSA-N -1 3 393.491 3.979 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000820549499 606628619 /nfs/dbraw/zinc/62/86/19/606628619.db2.gz NWNIOZKLYYUKBR-COPLHBTASA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000820549499 606628623 /nfs/dbraw/zinc/62/86/23/606628623.db2.gz NWNIOZKLYYUKBR-COPLHBTASA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C\SCc1ccco1 ZINC000820087678 606636236 /nfs/dbraw/zinc/63/62/36/606636236.db2.gz WLJWTJUXHCXWSU-LUAWRHEFSA-N -1 3 397.504 3.891 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C\SCc1ccco1 ZINC000820087678 606636237 /nfs/dbraw/zinc/63/62/37/606636237.db2.gz WLJWTJUXHCXWSU-LUAWRHEFSA-N -1 3 397.504 3.891 20 0 GHADHM C[C@@H](c1ccco1)N(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CC1 ZINC000820570887 606657490 /nfs/dbraw/zinc/65/74/90/606657490.db2.gz SRPYNYRKYHYYLQ-NSHDSACASA-N -1 3 375.379 3.787 20 0 GHADHM C[C@@H](c1ccco1)N(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CC1 ZINC000820570887 606657491 /nfs/dbraw/zinc/65/74/91/606657491.db2.gz SRPYNYRKYHYYLQ-NSHDSACASA-N -1 3 375.379 3.787 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000820384974 606661806 /nfs/dbraw/zinc/66/18/06/606661806.db2.gz NXKWVWAHPXMXBP-NSHDSACASA-N -1 3 379.370 3.789 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000820384974 606661807 /nfs/dbraw/zinc/66/18/07/606661807.db2.gz NXKWVWAHPXMXBP-NSHDSACASA-N -1 3 379.370 3.789 20 0 GHADHM O=C(OCc1ccc(Cl)c(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823422102 606665869 /nfs/dbraw/zinc/66/58/69/606665869.db2.gz OBWLTISTUJSGTG-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM O=C(OCc1ccc(Cl)c(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823422102 606665870 /nfs/dbraw/zinc/66/58/70/606665870.db2.gz OBWLTISTUJSGTG-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820292335 606667646 /nfs/dbraw/zinc/66/76/46/606667646.db2.gz CWKYPOBICOQXJG-OLZOCXBDSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820292335 606667647 /nfs/dbraw/zinc/66/76/47/606667647.db2.gz CWKYPOBICOQXJG-OLZOCXBDSA-N -1 3 385.468 3.611 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC2(C1)CCCCCC2 ZINC000823454754 606683871 /nfs/dbraw/zinc/68/38/71/606683871.db2.gz SRIYHOIWDBMHJT-UHFFFAOYSA-N -1 3 375.423 3.722 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC2(C1)CCCCCC2 ZINC000823454754 606683872 /nfs/dbraw/zinc/68/38/72/606683872.db2.gz SRIYHOIWDBMHJT-UHFFFAOYSA-N -1 3 375.423 3.722 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389858 606684136 /nfs/dbraw/zinc/68/41/36/606684136.db2.gz ADHFUZPUUMOFLH-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389858 606684137 /nfs/dbraw/zinc/68/41/37/606684137.db2.gz ADHFUZPUUMOFLH-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820039598 606689499 /nfs/dbraw/zinc/68/94/99/606689499.db2.gz ZPOWJRZMBKFNKZ-KRWDZBQOSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820039598 606689500 /nfs/dbraw/zinc/68/95/00/606689500.db2.gz ZPOWJRZMBKFNKZ-KRWDZBQOSA-N -1 3 391.475 3.564 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140399 606693890 /nfs/dbraw/zinc/69/38/90/606693890.db2.gz VAJWUGRRCWKMEG-QGZVFWFLSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140399 606693891 /nfs/dbraw/zinc/69/38/91/606693891.db2.gz VAJWUGRRCWKMEG-QGZVFWFLSA-N -1 3 379.420 3.587 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820989736 606696386 /nfs/dbraw/zinc/69/63/86/606696386.db2.gz ZTUPDZJQIFYSNA-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820989736 606696387 /nfs/dbraw/zinc/69/63/87/606696387.db2.gz ZTUPDZJQIFYSNA-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000822217798 606696885 /nfs/dbraw/zinc/69/68/85/606696885.db2.gz NRJHIAAIDJCIKS-HNNXBMFYSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000822217798 606696886 /nfs/dbraw/zinc/69/68/86/606696886.db2.gz NRJHIAAIDJCIKS-HNNXBMFYSA-N -1 3 391.479 3.658 20 0 GHADHM CC(C)COc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820102936 606698585 /nfs/dbraw/zinc/69/85/85/606698585.db2.gz MKKYJLCPVJTBFF-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)COc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820102936 606698587 /nfs/dbraw/zinc/69/85/87/606698587.db2.gz MKKYJLCPVJTBFF-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821475860 606716913 /nfs/dbraw/zinc/71/69/13/606716913.db2.gz BFWUJNSYTWEUKU-ZIAGYGMSSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821475860 606716914 /nfs/dbraw/zinc/71/69/14/606716914.db2.gz BFWUJNSYTWEUKU-ZIAGYGMSSA-N -1 3 389.463 3.891 20 0 GHADHM Clc1cccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000822586453 606743195 /nfs/dbraw/zinc/74/31/95/606743195.db2.gz ZDACEBJOVLYGGC-LJQANCHMSA-N -1 3 376.851 3.794 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820398010 606746080 /nfs/dbraw/zinc/74/60/80/606746080.db2.gz ZBMJNMXGVMZWBU-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820398010 606746082 /nfs/dbraw/zinc/74/60/82/606746082.db2.gz ZBMJNMXGVMZWBU-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881766 606753795 /nfs/dbraw/zinc/75/37/95/606753795.db2.gz CVPDYZFVMUWNSC-KGLIPLIRSA-N -1 3 393.447 3.564 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881766 606753797 /nfs/dbraw/zinc/75/37/97/606753797.db2.gz CVPDYZFVMUWNSC-KGLIPLIRSA-N -1 3 393.447 3.564 20 0 GHADHM Cc1ncsc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822146467 606754877 /nfs/dbraw/zinc/75/48/77/606754877.db2.gz YESRCEGBIUCLJF-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ncsc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822146467 606754879 /nfs/dbraw/zinc/75/48/79/606754879.db2.gz YESRCEGBIUCLJF-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)NC1(C2CC2)CC1 ZINC000823356521 606771566 /nfs/dbraw/zinc/77/15/66/606771566.db2.gz OAWDSWORHFYIDF-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)NC1(C2CC2)CC1 ZINC000823356521 606771568 /nfs/dbraw/zinc/77/15/68/606771568.db2.gz OAWDSWORHFYIDF-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823359646 606783770 /nfs/dbraw/zinc/78/37/70/606783770.db2.gz RGGQUMJRJJASFC-INIZCTEOSA-N -1 3 389.419 3.767 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823359646 606783772 /nfs/dbraw/zinc/78/37/72/606783772.db2.gz RGGQUMJRJJASFC-INIZCTEOSA-N -1 3 389.419 3.767 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000822136704 606791083 /nfs/dbraw/zinc/79/10/83/606791083.db2.gz OOCMMDFGTJFTBM-IBGZPJMESA-N -1 3 389.459 3.982 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000822136704 606791085 /nfs/dbraw/zinc/79/10/85/606791085.db2.gz OOCMMDFGTJFTBM-IBGZPJMESA-N -1 3 389.459 3.982 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)cc1 ZINC000822136105 606792895 /nfs/dbraw/zinc/79/28/95/606792895.db2.gz JBXQVNQNKUFUHA-UKRRQHHQSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)cc1 ZINC000822136105 606792898 /nfs/dbraw/zinc/79/28/98/606792898.db2.gz JBXQVNQNKUFUHA-UKRRQHHQSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000822137574 606796829 /nfs/dbraw/zinc/79/68/29/606796829.db2.gz VOJRLJXTJGHUKL-HDICACEKSA-N -1 3 389.459 3.695 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000822137574 606796831 /nfs/dbraw/zinc/79/68/31/606796831.db2.gz VOJRLJXTJGHUKL-HDICACEKSA-N -1 3 389.459 3.695 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000822138083 606797893 /nfs/dbraw/zinc/79/78/93/606797893.db2.gz ZPZZPQZGAYSLOG-ZFWWWQNUSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000822138083 606797895 /nfs/dbraw/zinc/79/78/95/606797895.db2.gz ZPZZPQZGAYSLOG-ZFWWWQNUSA-N -1 3 377.448 3.838 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823472280 606812965 /nfs/dbraw/zinc/81/29/65/606812965.db2.gz GUXGSXPUGUKUPV-UHFFFAOYSA-N -1 3 379.439 3.633 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823472280 606812967 /nfs/dbraw/zinc/81/29/67/606812967.db2.gz GUXGSXPUGUKUPV-UHFFFAOYSA-N -1 3 379.439 3.633 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823176694 606835393 /nfs/dbraw/zinc/83/53/93/606835393.db2.gz WTUGQFQSFFQQTI-QGZVFWFLSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823176694 606835395 /nfs/dbraw/zinc/83/53/95/606835395.db2.gz WTUGQFQSFFQQTI-QGZVFWFLSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc(F)cc(Cl)c1 ZINC000823387831 606841537 /nfs/dbraw/zinc/84/15/37/606841537.db2.gz ZQUXSAUKIXXCPA-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc(F)cc(Cl)c1 ZINC000823387831 606841538 /nfs/dbraw/zinc/84/15/38/606841538.db2.gz ZQUXSAUKIXXCPA-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822323615 606843201 /nfs/dbraw/zinc/84/32/01/606843201.db2.gz KKSZSROXNHWBKM-OAHLLOKOSA-N -1 3 397.504 3.704 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822323615 606843203 /nfs/dbraw/zinc/84/32/03/606843203.db2.gz KKSZSROXNHWBKM-OAHLLOKOSA-N -1 3 397.504 3.704 20 0 GHADHM COc1ccc(C)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821782950 606851633 /nfs/dbraw/zinc/85/16/33/606851633.db2.gz UBAPDLIXWBYOPZ-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM COc1ccc(C)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821782950 606851634 /nfs/dbraw/zinc/85/16/34/606851634.db2.gz UBAPDLIXWBYOPZ-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000821040690 606872447 /nfs/dbraw/zinc/87/24/47/606872447.db2.gz PMTBZKGWIBSIKY-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000821040690 606872448 /nfs/dbraw/zinc/87/24/48/606872448.db2.gz PMTBZKGWIBSIKY-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819959119 606879703 /nfs/dbraw/zinc/87/97/03/606879703.db2.gz YWYFRZFWQNUDLS-UHFFFAOYSA-N -1 3 393.476 3.664 20 0 GHADHM CC(C)C[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820063137 606880557 /nfs/dbraw/zinc/88/05/57/606880557.db2.gz RMTQYSKPGZNUHJ-SFHVURJKSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)C[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820063137 606880558 /nfs/dbraw/zinc/88/05/58/606880558.db2.gz RMTQYSKPGZNUHJ-SFHVURJKSA-N -1 3 385.512 3.843 20 0 GHADHM CCOc1cccc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000821430678 606914956 /nfs/dbraw/zinc/91/49/56/606914956.db2.gz CKWNOKJINLRREB-UHFFFAOYSA-N -1 3 392.488 3.679 20 0 GHADHM CCc1nnc(Oc2cccc(Oc3ccccn3)c2)c(-c2nnn[n-]2)c1CC ZINC000821548670 606919711 /nfs/dbraw/zinc/91/97/11/606919711.db2.gz SRHGOUIFEITOEF-UHFFFAOYSA-N -1 3 389.419 3.761 20 0 GHADHM CC(=O)Nc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000819818623 606926995 /nfs/dbraw/zinc/92/69/95/606926995.db2.gz TXPQKTGOFFSQRC-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000819818623 606926997 /nfs/dbraw/zinc/92/69/97/606926997.db2.gz TXPQKTGOFFSQRC-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM COc1cc(F)c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000821719413 606934947 /nfs/dbraw/zinc/93/49/47/606934947.db2.gz DPBKPWBYVXBCGC-UHFFFAOYSA-N -1 3 396.810 3.616 20 0 GHADHM COc1cc(F)c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000821719413 606934949 /nfs/dbraw/zinc/93/49/49/606934949.db2.gz DPBKPWBYVXBCGC-UHFFFAOYSA-N -1 3 396.810 3.616 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nc(C(C)C)cs1 ZINC000821104799 606934981 /nfs/dbraw/zinc/93/49/81/606934981.db2.gz RGBOMOIXZAQEDR-UHFFFAOYSA-N -1 3 399.524 3.568 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nc(C(C)C)cs1 ZINC000821104799 606934983 /nfs/dbraw/zinc/93/49/83/606934983.db2.gz RGBOMOIXZAQEDR-UHFFFAOYSA-N -1 3 399.524 3.568 20 0 GHADHM CCc1nnc(N[C@H](C)c2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1CC ZINC000821528191 606937134 /nfs/dbraw/zinc/93/71/34/606937134.db2.gz KZMIGBNLKNVFSE-GFCCVEGCSA-N -1 3 390.451 3.610 20 0 GHADHM CCc1nnc(N[C@H](C)c2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1CC ZINC000821528191 606937135 /nfs/dbraw/zinc/93/71/35/606937135.db2.gz KZMIGBNLKNVFSE-GFCCVEGCSA-N -1 3 390.451 3.610 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823145017 606940834 /nfs/dbraw/zinc/94/08/34/606940834.db2.gz OGTZJCPPEXHXFU-AWEZNQCLSA-N -1 3 385.374 3.577 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823145017 606940835 /nfs/dbraw/zinc/94/08/35/606940835.db2.gz OGTZJCPPEXHXFU-AWEZNQCLSA-N -1 3 385.374 3.577 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000823488496 606941043 /nfs/dbraw/zinc/94/10/43/606941043.db2.gz ONCFYICHMPTCHO-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000823488496 606941045 /nfs/dbraw/zinc/94/10/45/606941045.db2.gz ONCFYICHMPTCHO-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000821762198 606953035 /nfs/dbraw/zinc/95/30/35/606953035.db2.gz IFBKIZCARBBZTF-LJQANCHMSA-N -1 3 392.463 3.663 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000821762198 606953037 /nfs/dbraw/zinc/95/30/37/606953037.db2.gz IFBKIZCARBBZTF-LJQANCHMSA-N -1 3 392.463 3.663 20 0 GHADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)O1 ZINC000820675449 606956494 /nfs/dbraw/zinc/95/64/94/606956494.db2.gz JDLMSZYUENWQMG-SCLBCKFNSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)O1 ZINC000820675449 606956497 /nfs/dbraw/zinc/95/64/97/606956497.db2.gz JDLMSZYUENWQMG-SCLBCKFNSA-N -1 3 397.866 3.621 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)ccc2Br)s1 ZINC000821465210 606957354 /nfs/dbraw/zinc/95/73/54/606957354.db2.gz DUYBEJIYUHPFJU-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)ccc2Br)s1 ZINC000821465210 606957356 /nfs/dbraw/zinc/95/73/56/606957356.db2.gz DUYBEJIYUHPFJU-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574417 606959192 /nfs/dbraw/zinc/95/91/92/606959192.db2.gz FXEPYOPFNDCDRP-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574417 606959194 /nfs/dbraw/zinc/95/91/94/606959194.db2.gz FXEPYOPFNDCDRP-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)c(Cl)c1 ZINC000823346455 606960029 /nfs/dbraw/zinc/96/00/29/606960029.db2.gz NQHUFFMAXHUSRH-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)c(Cl)c1 ZINC000823346455 606960030 /nfs/dbraw/zinc/96/00/30/606960030.db2.gz NQHUFFMAXHUSRH-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000823487661 606967404 /nfs/dbraw/zinc/96/74/04/606967404.db2.gz FHVATIYGZJINLH-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000821411883 607000721 /nfs/dbraw/zinc/00/07/21/607000721.db2.gz CXDKKCZTXZIMBH-UHFFFAOYSA-N -1 3 381.417 3.839 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000821411883 607000723 /nfs/dbraw/zinc/00/07/23/607000723.db2.gz CXDKKCZTXZIMBH-UHFFFAOYSA-N -1 3 381.417 3.839 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822262581 607024895 /nfs/dbraw/zinc/02/48/95/607024895.db2.gz BPHOZRRIMFGSRC-AWEZNQCLSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822262581 607024897 /nfs/dbraw/zinc/02/48/97/607024897.db2.gz BPHOZRRIMFGSRC-AWEZNQCLSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cc(F)ccc2-c2nnn[n-]2)no1 ZINC000822361870 607035245 /nfs/dbraw/zinc/03/52/45/607035245.db2.gz JOLFQZLTCSMLHZ-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cc(F)ccc2-c2nn[n-]n2)no1 ZINC000822361870 607035246 /nfs/dbraw/zinc/03/52/46/607035246.db2.gz JOLFQZLTCSMLHZ-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM CC(C)(C)c1nccc(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000819971820 607045672 /nfs/dbraw/zinc/04/56/72/607045672.db2.gz SNSLMLULZDTEPA-UHFFFAOYSA-N -1 3 375.230 3.509 20 0 GHADHM CC(C)(C)c1nccc(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000819971820 607045673 /nfs/dbraw/zinc/04/56/73/607045673.db2.gz SNSLMLULZDTEPA-UHFFFAOYSA-N -1 3 375.230 3.509 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820914302 607097128 /nfs/dbraw/zinc/09/71/28/607097128.db2.gz NWXQQBJCXLDBFT-GOSISDBHSA-N -1 3 396.470 3.559 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820914302 607097129 /nfs/dbraw/zinc/09/71/29/607097129.db2.gz NWXQQBJCXLDBFT-GOSISDBHSA-N -1 3 396.470 3.559 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000821293265 607101518 /nfs/dbraw/zinc/10/15/18/607101518.db2.gz IZYHBHNICZJPKM-LSDHHAIUSA-N -1 3 382.855 3.694 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000821304551 607102004 /nfs/dbraw/zinc/10/20/04/607102004.db2.gz KLJBTRCWKQPBOM-UHFFFAOYSA-N -1 3 394.479 3.515 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H](c2ccsc2)O1 ZINC000820769137 607115952 /nfs/dbraw/zinc/11/59/52/607115952.db2.gz ROJKYFLAJNJLQX-BMIGLBTASA-N -1 3 395.410 3.913 20 0 GHADHM Cc1sc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1C ZINC000822563412 607125192 /nfs/dbraw/zinc/12/51/92/607125192.db2.gz IBGVRWSYZLSIHL-UHFFFAOYSA-N -1 3 376.873 3.557 20 0 GHADHM O=C(c1cccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c1)N1CCCCC1 ZINC000823493031 607125600 /nfs/dbraw/zinc/12/56/00/607125600.db2.gz DUWPBLDSIJDVRI-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000823092663 607133552 /nfs/dbraw/zinc/13/35/52/607133552.db2.gz HBIQFOCSJHBJFG-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000823092663 607133554 /nfs/dbraw/zinc/13/35/54/607133554.db2.gz HBIQFOCSJHBJFG-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822194397 607139692 /nfs/dbraw/zinc/13/96/92/607139692.db2.gz WCMQPEWDLQJTEK-LLVKDONJSA-N -1 3 389.818 3.682 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822194397 607139694 /nfs/dbraw/zinc/13/96/94/607139694.db2.gz WCMQPEWDLQJTEK-LLVKDONJSA-N -1 3 389.818 3.682 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000821469974 607145245 /nfs/dbraw/zinc/14/52/45/607145245.db2.gz KCOQKPSCHRPFJG-UHFFFAOYSA-N -1 3 394.460 3.630 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000821469974 607145247 /nfs/dbraw/zinc/14/52/47/607145247.db2.gz KCOQKPSCHRPFJG-UHFFFAOYSA-N -1 3 394.460 3.630 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1Br ZINC000823367675 607147722 /nfs/dbraw/zinc/14/77/22/607147722.db2.gz NBDMOQJXHVGBTA-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1Br ZINC000823367675 607147723 /nfs/dbraw/zinc/14/77/23/607147723.db2.gz NBDMOQJXHVGBTA-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Clc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000822578979 607164816 /nfs/dbraw/zinc/16/48/16/607164816.db2.gz UOUUDCMMWQGHRC-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822578979 607164817 /nfs/dbraw/zinc/16/48/17/607164817.db2.gz UOUUDCMMWQGHRC-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000822578655 607164953 /nfs/dbraw/zinc/16/49/53/607164953.db2.gz NEADQDANNBZDRI-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822578655 607164954 /nfs/dbraw/zinc/16/49/54/607164954.db2.gz NEADQDANNBZDRI-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1Cl ZINC000822586126 607165925 /nfs/dbraw/zinc/16/59/25/607165925.db2.gz SJTKODRQMSKCPE-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1Cl ZINC000822586126 607165926 /nfs/dbraw/zinc/16/59/26/607165926.db2.gz SJTKODRQMSKCPE-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821890663 607190599 /nfs/dbraw/zinc/19/05/99/607190599.db2.gz NRKGNTOLIOGZBZ-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821890663 607190600 /nfs/dbraw/zinc/19/06/00/607190600.db2.gz NRKGNTOLIOGZBZ-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822423349 607191827 /nfs/dbraw/zinc/19/18/27/607191827.db2.gz KCWOCRFQCQFMPR-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822423349 607191828 /nfs/dbraw/zinc/19/18/28/607191828.db2.gz KCWOCRFQCQFMPR-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823313532 607192276 /nfs/dbraw/zinc/19/22/76/607192276.db2.gz DRFXEFADOWDYOO-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823313532 607192277 /nfs/dbraw/zinc/19/22/77/607192277.db2.gz DRFXEFADOWDYOO-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000821765398 607231599 /nfs/dbraw/zinc/23/15/99/607231599.db2.gz CJKVIQJOMWNICI-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000821765398 607231600 /nfs/dbraw/zinc/23/16/00/607231600.db2.gz CJKVIQJOMWNICI-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822535108 607240941 /nfs/dbraw/zinc/24/09/41/607240941.db2.gz GVJQMKOQJHBHOF-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822535108 607240942 /nfs/dbraw/zinc/24/09/42/607240942.db2.gz GVJQMKOQJHBHOF-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)sc2nccc(C)c12 ZINC000822378896 607243766 /nfs/dbraw/zinc/24/37/66/607243766.db2.gz HEEOARDYHDPXPM-UHFFFAOYSA-N -1 3 384.852 3.999 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)sc2nccc(C)c12 ZINC000822378896 607243767 /nfs/dbraw/zinc/24/37/67/607243767.db2.gz HEEOARDYHDPXPM-UHFFFAOYSA-N -1 3 384.852 3.999 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c2c1 ZINC000822274909 607243843 /nfs/dbraw/zinc/24/38/43/607243843.db2.gz LORLSAZGTGGZMF-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c2c1 ZINC000822274909 607243844 /nfs/dbraw/zinc/24/38/44/607243844.db2.gz LORLSAZGTGGZMF-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000823318778 607244233 /nfs/dbraw/zinc/24/42/33/607244233.db2.gz KDRWXGAKOGKKRM-UHFFFAOYSA-N -1 3 389.753 3.586 20 0 GHADHM Cc1ncc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)s1 ZINC000826330381 607774055 /nfs/dbraw/zinc/77/40/55/607774055.db2.gz RTWRGJSKPLLHLK-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ncc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)s1 ZINC000826330381 607774056 /nfs/dbraw/zinc/77/40/56/607774056.db2.gz RTWRGJSKPLLHLK-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826451740 607774903 /nfs/dbraw/zinc/77/49/03/607774903.db2.gz UPCIXTSFGIBSBY-UHFFFAOYSA-N -1 3 391.460 3.634 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826451740 607774904 /nfs/dbraw/zinc/77/49/04/607774904.db2.gz UPCIXTSFGIBSBY-UHFFFAOYSA-N -1 3 391.460 3.634 20 0 GHADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1Oc1ccncc1 ZINC000826281916 607787426 /nfs/dbraw/zinc/78/74/26/607787426.db2.gz PHAZZMFNOBWNAM-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1Oc1ccncc1 ZINC000826281916 607787427 /nfs/dbraw/zinc/78/74/27/607787427.db2.gz PHAZZMFNOBWNAM-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM CCN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371926 607798225 /nfs/dbraw/zinc/79/82/25/607798225.db2.gz NHJHZWQURJPAKE-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371926 607798226 /nfs/dbraw/zinc/79/82/26/607798226.db2.gz NHJHZWQURJPAKE-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159652 607798561 /nfs/dbraw/zinc/79/85/61/607798561.db2.gz RJMXHPVGTZFVGN-MRXNPFEDSA-N -1 3 385.855 3.731 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159652 607798562 /nfs/dbraw/zinc/79/85/62/607798562.db2.gz RJMXHPVGTZFVGN-MRXNPFEDSA-N -1 3 385.855 3.731 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825653669 607800872 /nfs/dbraw/zinc/80/08/72/607800872.db2.gz HRIPHVXQZKCRAH-GFCCVEGCSA-N -1 3 388.374 3.662 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825653669 607800873 /nfs/dbraw/zinc/80/08/73/607800873.db2.gz HRIPHVXQZKCRAH-GFCCVEGCSA-N -1 3 388.374 3.662 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1cc(-c2nnn[n-]2)cs1 ZINC000826455643 607824768 /nfs/dbraw/zinc/82/47/68/607824768.db2.gz XZIMUPQCGRMWFH-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1cc(-c2nn[n-]n2)cs1 ZINC000826455643 607824769 /nfs/dbraw/zinc/82/47/69/607824769.db2.gz XZIMUPQCGRMWFH-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000824119805 607826683 /nfs/dbraw/zinc/82/66/83/607826683.db2.gz QMYOSDWQNIRASL-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000824119805 607826684 /nfs/dbraw/zinc/82/66/84/607826684.db2.gz QMYOSDWQNIRASL-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826287284 607835172 /nfs/dbraw/zinc/83/51/72/607835172.db2.gz JKPWHAWNTTUWPX-QMMMGPOBSA-N -1 3 396.303 3.904 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826287284 607835173 /nfs/dbraw/zinc/83/51/73/607835173.db2.gz JKPWHAWNTTUWPX-QMMMGPOBSA-N -1 3 396.303 3.904 20 0 GHADHM CS[C@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227289 607835280 /nfs/dbraw/zinc/83/52/80/607835280.db2.gz OVCZCMBBUNHPBY-UWVGGRQHSA-N -1 3 386.308 3.578 20 0 GHADHM CS[C@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227289 607835281 /nfs/dbraw/zinc/83/52/81/607835281.db2.gz OVCZCMBBUNHPBY-UWVGGRQHSA-N -1 3 386.308 3.578 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(-n2cccn2)c1 ZINC000824662743 607842743 /nfs/dbraw/zinc/84/27/43/607842743.db2.gz QQTMEPDNDDVNOB-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(-n2cccn2)c1 ZINC000824662743 607842744 /nfs/dbraw/zinc/84/27/44/607842744.db2.gz QQTMEPDNDDVNOB-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826298103 607849677 /nfs/dbraw/zinc/84/96/77/607849677.db2.gz DLTQEBJOWGQACX-UHFFFAOYSA-N -1 3 391.866 3.825 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826298103 607849678 /nfs/dbraw/zinc/84/96/78/607849678.db2.gz DLTQEBJOWGQACX-UHFFFAOYSA-N -1 3 391.866 3.825 20 0 GHADHM CCN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385837 607878950 /nfs/dbraw/zinc/87/89/50/607878950.db2.gz TUVFPKTXWSDGGP-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM CCN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385837 607878951 /nfs/dbraw/zinc/87/89/51/607878951.db2.gz TUVFPKTXWSDGGP-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824333145 607911714 /nfs/dbraw/zinc/91/17/14/607911714.db2.gz FLZBCLTXHUJBOH-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824333145 607911715 /nfs/dbraw/zinc/91/17/15/607911715.db2.gz FLZBCLTXHUJBOH-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM Cc1noc(C)c1CCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826338988 607913644 /nfs/dbraw/zinc/91/36/44/607913644.db2.gz NTIPLQJMMSTTCC-UHFFFAOYSA-N -1 3 389.415 3.538 20 0 GHADHM Cc1noc(C)c1CCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826338988 607913645 /nfs/dbraw/zinc/91/36/45/607913645.db2.gz NTIPLQJMMSTTCC-UHFFFAOYSA-N -1 3 389.415 3.538 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224631 607937644 /nfs/dbraw/zinc/93/76/44/607937644.db2.gz IXFYFLORMOPLDD-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224631 607937645 /nfs/dbraw/zinc/93/76/45/607937645.db2.gz IXFYFLORMOPLDD-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)cc1 ZINC000826284739 607946290 /nfs/dbraw/zinc/94/62/90/607946290.db2.gz DBKAVCARVDPVKI-IEBWSBKVSA-N -1 3 378.432 3.561 20 0 GHADHM Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)cc1 ZINC000826284739 607946291 /nfs/dbraw/zinc/94/62/91/607946291.db2.gz DBKAVCARVDPVKI-IEBWSBKVSA-N -1 3 378.432 3.561 20 0 GHADHM O=C(CCCc1csc2ccccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406511 607948966 /nfs/dbraw/zinc/94/89/66/607948966.db2.gz ADEUNVGLSMJINB-UHFFFAOYSA-N -1 3 389.484 3.993 20 0 GHADHM O=C(CCCc1csc2ccccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406511 607948967 /nfs/dbraw/zinc/94/89/67/607948967.db2.gz ADEUNVGLSMJINB-UHFFFAOYSA-N -1 3 389.484 3.993 20 0 GHADHM O=C(C1c2ccccc2Oc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826398779 607953345 /nfs/dbraw/zinc/95/33/45/607953345.db2.gz FVHDEYKETDETFA-UHFFFAOYSA-N -1 3 395.422 3.694 20 0 GHADHM O=C(C1c2ccccc2Oc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826398779 607953346 /nfs/dbraw/zinc/95/33/46/607953346.db2.gz FVHDEYKETDETFA-UHFFFAOYSA-N -1 3 395.422 3.694 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nnn[n-]3)c2)n1[C@H]1CCC[C@H](C)C1 ZINC000826336691 607965695 /nfs/dbraw/zinc/96/56/95/607965695.db2.gz JQONXQQKOTXWNF-BBRMVZONSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nn[n-]n3)c2)n1[C@H]1CCC[C@H](C)C1 ZINC000826336691 607965696 /nfs/dbraw/zinc/96/56/96/607965696.db2.gz JQONXQQKOTXWNF-BBRMVZONSA-N -1 3 399.524 3.689 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284673 607967138 /nfs/dbraw/zinc/96/71/38/607967138.db2.gz MDMKGMKPTVDQBM-UHFFFAOYSA-N -1 3 395.801 3.563 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284673 607967139 /nfs/dbraw/zinc/96/71/39/607967139.db2.gz MDMKGMKPTVDQBM-UHFFFAOYSA-N -1 3 395.801 3.563 20 0 GHADHM FC(F)(F)c1ccc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nnn[n-]2)c1 ZINC000826369331 607968753 /nfs/dbraw/zinc/96/87/53/607968753.db2.gz YAJQOBJEJYPPEO-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1ccc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nn[n-]n2)c1 ZINC000826369331 607968754 /nfs/dbraw/zinc/96/87/54/607968754.db2.gz YAJQOBJEJYPPEO-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1csc(-c2ccccn2)n1 ZINC000825352896 607974878 /nfs/dbraw/zinc/97/48/78/607974878.db2.gz RMECZKXQNKQRIQ-UHFFFAOYSA-N -1 3 388.460 3.812 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1csc(-c2ccccn2)n1 ZINC000825352896 607974879 /nfs/dbraw/zinc/97/48/79/607974879.db2.gz RMECZKXQNKQRIQ-UHFFFAOYSA-N -1 3 388.460 3.812 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnc(-c2ccncc2)s1 ZINC000825352223 607975002 /nfs/dbraw/zinc/97/50/02/607975002.db2.gz KRJPOYPZMULNLB-UHFFFAOYSA-N -1 3 388.460 3.812 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnc(-c2ccncc2)s1 ZINC000825352223 607975003 /nfs/dbraw/zinc/97/50/03/607975003.db2.gz KRJPOYPZMULNLB-UHFFFAOYSA-N -1 3 388.460 3.812 20 0 GHADHM COC1CCC(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CC1 ZINC000826144352 608002484 /nfs/dbraw/zinc/00/24/84/608002484.db2.gz HGNLUERUXMLNFK-UHFFFAOYSA-N -1 3 395.463 3.588 20 0 GHADHM COC1CCC(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CC1 ZINC000826144352 608002485 /nfs/dbraw/zinc/00/24/85/608002485.db2.gz HGNLUERUXMLNFK-UHFFFAOYSA-N -1 3 395.463 3.588 20 0 GHADHM CC(=O)c1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000824024563 608005305 /nfs/dbraw/zinc/00/53/05/608005305.db2.gz JWLXNPISCPPRRL-UHFFFAOYSA-N -1 3 393.447 3.566 20 0 GHADHM CC(=O)c1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000824024563 608005306 /nfs/dbraw/zinc/00/53/06/608005306.db2.gz JWLXNPISCPPRRL-UHFFFAOYSA-N -1 3 393.447 3.566 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347838 608008277 /nfs/dbraw/zinc/00/82/77/608008277.db2.gz PFRUKSQPAFWYDY-HXUWFJFHSA-N -1 3 375.476 3.896 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347838 608008278 /nfs/dbraw/zinc/00/82/78/608008278.db2.gz PFRUKSQPAFWYDY-HXUWFJFHSA-N -1 3 375.476 3.896 20 0 GHADHM C[C@H](Cc1ccccc1F)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824458274 608015446 /nfs/dbraw/zinc/01/54/46/608015446.db2.gz VAHZCCVTVLQJOX-SECBINFHSA-N -1 3 394.237 3.674 20 0 GHADHM C[C@H](Cc1ccccc1F)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824458274 608015447 /nfs/dbraw/zinc/01/54/47/608015447.db2.gz VAHZCCVTVLQJOX-SECBINFHSA-N -1 3 394.237 3.674 20 0 GHADHM c1nc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)oc1C1CC1 ZINC000826517046 608019522 /nfs/dbraw/zinc/01/95/22/608019522.db2.gz NIAHEJFIXHNJME-UHFFFAOYSA-N -1 3 388.431 3.923 20 0 GHADHM c1nc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)oc1C1CC1 ZINC000826517046 608019523 /nfs/dbraw/zinc/01/95/23/608019523.db2.gz NIAHEJFIXHNJME-UHFFFAOYSA-N -1 3 388.431 3.923 20 0 GHADHM CC1(C)CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824802078 608076839 /nfs/dbraw/zinc/07/68/39/608076839.db2.gz LIBGAPXYOZEIFH-UHFFFAOYSA-N -1 3 382.855 3.633 20 0 GHADHM CC1(C)CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824802078 608076840 /nfs/dbraw/zinc/07/68/40/608076840.db2.gz LIBGAPXYOZEIFH-UHFFFAOYSA-N -1 3 382.855 3.633 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272142 608085266 /nfs/dbraw/zinc/08/52/66/608085266.db2.gz WLANYACMGMZPQC-LPHOPBHVSA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272142 608085267 /nfs/dbraw/zinc/08/52/67/608085267.db2.gz WLANYACMGMZPQC-LPHOPBHVSA-N -1 3 385.512 3.763 20 0 GHADHM CCc1ccccc1NC(=S)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825723399 608109442 /nfs/dbraw/zinc/10/94/42/608109442.db2.gz ZPFHXVSBELWAEV-UHFFFAOYSA-N -1 3 392.492 3.608 20 0 GHADHM CCc1ccccc1NC(=S)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825723399 608109443 /nfs/dbraw/zinc/10/94/43/608109443.db2.gz ZPFHXVSBELWAEV-UHFFFAOYSA-N -1 3 392.492 3.608 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1cccc(Cl)c1 ZINC000825796932 608109481 /nfs/dbraw/zinc/10/94/81/608109481.db2.gz QFGWFZKIQHXNLE-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1cccc(Cl)c1 ZINC000825796932 608109482 /nfs/dbraw/zinc/10/94/82/608109482.db2.gz QFGWFZKIQHXNLE-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CC[C@H](C2CC2)C1 ZINC000826457255 608119137 /nfs/dbraw/zinc/11/91/37/608119137.db2.gz TTYNKJOFNDXCIU-INIZCTEOSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CC[C@H](C2CC2)C1 ZINC000826457255 608119138 /nfs/dbraw/zinc/11/91/38/608119138.db2.gz TTYNKJOFNDXCIU-INIZCTEOSA-N -1 3 390.447 3.923 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000825012982 608140965 /nfs/dbraw/zinc/14/09/65/608140965.db2.gz MXEVLLBWHAHQCW-SECBINFHSA-N -1 3 391.909 3.970 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000825012982 608140966 /nfs/dbraw/zinc/14/09/66/608140966.db2.gz MXEVLLBWHAHQCW-SECBINFHSA-N -1 3 391.909 3.970 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1=O ZINC000824866483 608152442 /nfs/dbraw/zinc/15/24/42/608152442.db2.gz LWFRDMBDJXFMTQ-HIFRSBDPSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1=O ZINC000824866483 608152443 /nfs/dbraw/zinc/15/24/43/608152443.db2.gz LWFRDMBDJXFMTQ-HIFRSBDPSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000824755266 608206971 /nfs/dbraw/zinc/20/69/71/608206971.db2.gz KSXMXJSDXNGMTD-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000824755266 608206972 /nfs/dbraw/zinc/20/69/72/608206972.db2.gz KSXMXJSDXNGMTD-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM c1csc(-c2nc(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)co2)c1 ZINC000826525967 608222491 /nfs/dbraw/zinc/22/24/91/608222491.db2.gz GKTZMETWJKNLCX-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1csc(-c2nc(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)co2)c1 ZINC000826525967 608222493 /nfs/dbraw/zinc/22/24/93/608222493.db2.gz GKTZMETWJKNLCX-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000826189741 608239435 /nfs/dbraw/zinc/23/94/35/608239435.db2.gz DEAUXTVGJFLLQR-YJYMSZOUSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000826189741 608239438 /nfs/dbraw/zinc/23/94/38/608239438.db2.gz DEAUXTVGJFLLQR-YJYMSZOUSA-N -1 3 390.447 3.612 20 0 GHADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000825727905 608269915 /nfs/dbraw/zinc/26/99/15/608269915.db2.gz DIWSWFXOCPRBEO-UHFFFAOYSA-N -1 3 382.493 3.797 20 0 GHADHM CCc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000825727905 608269916 /nfs/dbraw/zinc/26/99/16/608269916.db2.gz DIWSWFXOCPRBEO-UHFFFAOYSA-N -1 3 382.493 3.797 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826520605 608279433 /nfs/dbraw/zinc/27/94/33/608279433.db2.gz NYLGZJPLIZGUMQ-FXAWDEMLSA-N -1 3 390.491 3.720 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826520605 608279435 /nfs/dbraw/zinc/27/94/35/608279435.db2.gz NYLGZJPLIZGUMQ-FXAWDEMLSA-N -1 3 390.491 3.720 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826225729 608292894 /nfs/dbraw/zinc/29/28/94/608292894.db2.gz JKKXSFMGFCDRHH-GFCCVEGCSA-N -1 3 384.465 3.524 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826225729 608292896 /nfs/dbraw/zinc/29/28/96/608292896.db2.gz JKKXSFMGFCDRHH-GFCCVEGCSA-N -1 3 384.465 3.524 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000826277401 608293805 /nfs/dbraw/zinc/29/38/05/608293805.db2.gz SQOADWGZGGSRPY-LLVKDONJSA-N -1 3 386.253 3.680 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000826277401 608293807 /nfs/dbraw/zinc/29/38/07/608293807.db2.gz SQOADWGZGGSRPY-LLVKDONJSA-N -1 3 386.253 3.680 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368105 608296188 /nfs/dbraw/zinc/29/61/88/608296188.db2.gz BZPQSDJFOJSWEY-OLZOCXBDSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368105 608296190 /nfs/dbraw/zinc/29/61/90/608296190.db2.gz BZPQSDJFOJSWEY-OLZOCXBDSA-N -1 3 381.402 3.529 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC000826274440 608296801 /nfs/dbraw/zinc/29/68/01/608296801.db2.gz RIMHOTNQUIOIGI-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC000826274440 608296802 /nfs/dbraw/zinc/29/68/02/608296802.db2.gz RIMHOTNQUIOIGI-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM Cn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccc(Cl)cc1 ZINC000826356393 608300261 /nfs/dbraw/zinc/30/02/61/608300261.db2.gz OSMOUIWPPVZUPJ-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccc(Cl)cc1 ZINC000826356393 608300263 /nfs/dbraw/zinc/30/02/63/608300263.db2.gz OSMOUIWPPVZUPJ-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C[C@H]1C ZINC000824956474 608313298 /nfs/dbraw/zinc/31/32/98/608313298.db2.gz RQDLCTVWHXIGOQ-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C[C@H]1C ZINC000824956474 608313300 /nfs/dbraw/zinc/31/33/00/608313300.db2.gz RQDLCTVWHXIGOQ-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721750 608317655 /nfs/dbraw/zinc/31/76/55/608317655.db2.gz DDEZZZFKNGLKNZ-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721750 608317657 /nfs/dbraw/zinc/31/76/57/608317657.db2.gz DDEZZZFKNGLKNZ-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM CS[C@@H](C)CCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826225869 608340901 /nfs/dbraw/zinc/34/09/01/608340901.db2.gz MQEYBOZGDPNJRA-HNNXBMFYSA-N -1 3 381.505 3.932 20 0 GHADHM CS[C@@H](C)CCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826225869 608340903 /nfs/dbraw/zinc/34/09/03/608340903.db2.gz MQEYBOZGDPNJRA-HNNXBMFYSA-N -1 3 381.505 3.932 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385541 608342135 /nfs/dbraw/zinc/34/21/35/608342135.db2.gz JXNJHDLNQNFBAU-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385541 608342137 /nfs/dbraw/zinc/34/21/37/608342137.db2.gz JXNJHDLNQNFBAU-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362563 608342904 /nfs/dbraw/zinc/34/29/04/608342904.db2.gz OTMSOSLGCRVMSS-ZDUSSCGKSA-N -1 3 399.882 3.760 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362563 608342905 /nfs/dbraw/zinc/34/29/05/608342905.db2.gz OTMSOSLGCRVMSS-ZDUSSCGKSA-N -1 3 399.882 3.760 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368055 608343768 /nfs/dbraw/zinc/34/37/68/608343768.db2.gz ZUPRVWVSJYBMNK-SNVBAGLBSA-N -1 3 388.859 3.672 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368055 608343770 /nfs/dbraw/zinc/34/37/70/608343770.db2.gz ZUPRVWVSJYBMNK-SNVBAGLBSA-N -1 3 388.859 3.672 20 0 GHADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362003 608344445 /nfs/dbraw/zinc/34/44/45/608344445.db2.gz IIYHGNSAEXDCBA-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362003 608344447 /nfs/dbraw/zinc/34/44/47/608344447.db2.gz IIYHGNSAEXDCBA-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000826524066 608374910 /nfs/dbraw/zinc/37/49/10/608374910.db2.gz ICSNECKANHUADN-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000826524066 608374911 /nfs/dbraw/zinc/37/49/11/608374911.db2.gz ICSNECKANHUADN-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM Fc1c(CSc2n[nH]c(C=Cc3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000826371393 608396957 /nfs/dbraw/zinc/39/69/57/608396957.db2.gz FEMJNJQDOJFABB-MDZDMXLPSA-N -1 3 379.424 3.587 20 0 GHADHM Fc1c(CSc2n[nH]c(C=Cc3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000826371393 608396959 /nfs/dbraw/zinc/39/69/59/608396959.db2.gz FEMJNJQDOJFABB-MDZDMXLPSA-N -1 3 379.424 3.587 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826406311 608446998 /nfs/dbraw/zinc/44/69/98/608446998.db2.gz QTHJDDDDXDUGLB-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826406311 608447000 /nfs/dbraw/zinc/44/70/00/608447000.db2.gz QTHJDDDDXDUGLB-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826267365 608472797 /nfs/dbraw/zinc/47/27/97/608472797.db2.gz CBWRRCVGHHTGLQ-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826267365 608472799 /nfs/dbraw/zinc/47/27/99/608472799.db2.gz CBWRRCVGHHTGLQ-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824142497 608476313 /nfs/dbraw/zinc/47/63/13/608476313.db2.gz VGZDZLZWQQZPRB-UHFFFAOYSA-N -1 3 394.504 3.550 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824142497 608476314 /nfs/dbraw/zinc/47/63/14/608476314.db2.gz VGZDZLZWQQZPRB-UHFFFAOYSA-N -1 3 394.504 3.550 20 0 GHADHM Cc1nc(CCSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cs1 ZINC000826325564 608477343 /nfs/dbraw/zinc/47/73/43/608477343.db2.gz CFZBCRDLLGUPKW-UHFFFAOYSA-N -1 3 383.449 3.709 20 0 GHADHM Cc1nc(CCSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cs1 ZINC000826325564 608477344 /nfs/dbraw/zinc/47/73/44/608477344.db2.gz CFZBCRDLLGUPKW-UHFFFAOYSA-N -1 3 383.449 3.709 20 0 GHADHM Cc1ccc(SCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826292725 608478357 /nfs/dbraw/zinc/47/83/57/608478357.db2.gz JIEOTJDKBDTGGW-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM Cc1ccc(SCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826292725 608478360 /nfs/dbraw/zinc/47/83/60/608478360.db2.gz JIEOTJDKBDTGGW-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(Cl)c1 ZINC000824040436 608480005 /nfs/dbraw/zinc/48/00/05/608480005.db2.gz PRXZYKZPJKDDCT-CQSZACIVSA-N -1 3 393.878 3.940 20 0 GHADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(Cl)c1 ZINC000824040436 608480006 /nfs/dbraw/zinc/48/00/06/608480006.db2.gz PRXZYKZPJKDDCT-CQSZACIVSA-N -1 3 393.878 3.940 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000824347528 608480511 /nfs/dbraw/zinc/48/05/11/608480511.db2.gz CBQBVVLGASLCKJ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000824347528 608480512 /nfs/dbraw/zinc/48/05/12/608480512.db2.gz CBQBVVLGASLCKJ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825126120 608481335 /nfs/dbraw/zinc/48/13/35/608481335.db2.gz HJVQFWSNCPOIBZ-GOSISDBHSA-N -1 3 387.487 3.751 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825126120 608481337 /nfs/dbraw/zinc/48/13/37/608481337.db2.gz HJVQFWSNCPOIBZ-GOSISDBHSA-N -1 3 387.487 3.751 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000825620746 608494096 /nfs/dbraw/zinc/49/40/96/608494096.db2.gz GWHHVMGJCORQGA-AWEZNQCLSA-N -1 3 390.447 3.771 20 0 GHADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824086136 608527040 /nfs/dbraw/zinc/52/70/40/608527040.db2.gz KLNCTQILFTXIHO-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824086136 608527042 /nfs/dbraw/zinc/52/70/42/608527042.db2.gz KLNCTQILFTXIHO-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM Clc1cccc(-c2cnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)c1 ZINC000826352739 608529394 /nfs/dbraw/zinc/52/93/94/608529394.db2.gz MHGYWDCNBVTIAB-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Clc1cccc(-c2cnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)c1 ZINC000826352739 608529395 /nfs/dbraw/zinc/52/93/95/608529395.db2.gz MHGYWDCNBVTIAB-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Cc1ccc2cccc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c2n1 ZINC000826294840 608546054 /nfs/dbraw/zinc/54/60/54/608546054.db2.gz FYFZZVZUTOQXEB-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1ccc2cccc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c2n1 ZINC000826294840 608546055 /nfs/dbraw/zinc/54/60/55/608546055.db2.gz FYFZZVZUTOQXEB-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830826 608546090 /nfs/dbraw/zinc/54/60/90/608546090.db2.gz YZDDQRYRPYXASR-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830826 608546091 /nfs/dbraw/zinc/54/60/91/608546091.db2.gz YZDDQRYRPYXASR-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)cc1Br ZINC000826260419 608546419 /nfs/dbraw/zinc/54/64/19/608546419.db2.gz NJFCDRAUUVFVRE-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)cc1Br ZINC000826260419 608546421 /nfs/dbraw/zinc/54/64/21/608546421.db2.gz NJFCDRAUUVFVRE-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826288845 608568871 /nfs/dbraw/zinc/56/88/71/608568871.db2.gz YYAYFPFAUHTLQM-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826288845 608568873 /nfs/dbraw/zinc/56/88/73/608568873.db2.gz YYAYFPFAUHTLQM-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccc2ccccc2c1 ZINC000826185960 608584603 /nfs/dbraw/zinc/58/46/03/608584603.db2.gz YRZZYJGMBOBAIH-UHFFFAOYSA-N -1 3 387.443 3.990 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc2ccccc2c1 ZINC000826185960 608584604 /nfs/dbraw/zinc/58/46/04/608584604.db2.gz YRZZYJGMBOBAIH-UHFFFAOYSA-N -1 3 387.443 3.990 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000824907527 608597265 /nfs/dbraw/zinc/59/72/65/608597265.db2.gz IKEBAVXDBQSNPY-ZIAGYGMSSA-N -1 3 393.451 3.706 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824284897 608610330 /nfs/dbraw/zinc/61/03/30/608610330.db2.gz RKEUVDNOFXWJBX-UHFFFAOYSA-N -1 3 385.859 3.502 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824284897 608610332 /nfs/dbraw/zinc/61/03/32/608610332.db2.gz RKEUVDNOFXWJBX-UHFFFAOYSA-N -1 3 385.859 3.502 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)Cc1cc(Br)ccc1F ZINC000825954294 608648116 /nfs/dbraw/zinc/64/81/16/608648116.db2.gz YYCCXNXLLLXMGT-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)Cc1cc(Br)ccc1F ZINC000825954294 608648118 /nfs/dbraw/zinc/64/81/18/608648118.db2.gz YYCCXNXLLLXMGT-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CN(Cc1nccs1)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825981549 608720478 /nfs/dbraw/zinc/72/04/78/608720478.db2.gz URFJTUHHJFPYLI-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM CN(Cc1nccs1)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825981549 608720479 /nfs/dbraw/zinc/72/04/79/608720479.db2.gz URFJTUHHJFPYLI-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM CCSc1ccc(Cl)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825675066 608860398 /nfs/dbraw/zinc/86/03/98/608860398.db2.gz VQGVJMKHVXDEFG-UHFFFAOYSA-N -1 3 385.884 3.892 20 0 GHADHM CCSc1ccc(Cl)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825675066 608860403 /nfs/dbraw/zinc/86/04/03/608860403.db2.gz VQGVJMKHVXDEFG-UHFFFAOYSA-N -1 3 385.884 3.892 20 0 GHADHM C[C@H](NCc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617635 609135369 /nfs/dbraw/zinc/13/53/69/609135369.db2.gz IWZXVCKSFRSDEO-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617635 609135370 /nfs/dbraw/zinc/13/53/70/609135370.db2.gz IWZXVCKSFRSDEO-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826230980 609143748 /nfs/dbraw/zinc/14/37/48/609143748.db2.gz RHSLTMUVNIFBOA-NSHDSACASA-N -1 3 399.545 3.956 20 0 GHADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826230980 609143750 /nfs/dbraw/zinc/14/37/50/609143750.db2.gz RHSLTMUVNIFBOA-NSHDSACASA-N -1 3 399.545 3.956 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826233975 609166504 /nfs/dbraw/zinc/16/65/04/609166504.db2.gz CDIXXKLUMHUSND-UHFFFAOYSA-N -1 3 376.395 3.666 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826233975 609166506 /nfs/dbraw/zinc/16/65/06/609166506.db2.gz CDIXXKLUMHUSND-UHFFFAOYSA-N -1 3 376.395 3.666 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc2ccccc2c1 ZINC000825480620 609178795 /nfs/dbraw/zinc/17/87/95/609178795.db2.gz DAAOKJOXHYOXBF-UHFFFAOYSA-N -1 3 387.447 3.502 20 0 GHADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824658660 609241633 /nfs/dbraw/zinc/24/16/33/609241633.db2.gz ZVEVHOAUCWSPTD-CYBMUJFWSA-N -1 3 398.898 3.654 20 0 GHADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824658660 609241634 /nfs/dbraw/zinc/24/16/34/609241634.db2.gz ZVEVHOAUCWSPTD-CYBMUJFWSA-N -1 3 398.898 3.654 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1Br ZINC000826180770 609243439 /nfs/dbraw/zinc/24/34/39/609243439.db2.gz WLTNSJURLUNOTQ-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1Br ZINC000826180770 609243441 /nfs/dbraw/zinc/24/34/41/609243441.db2.gz WLTNSJURLUNOTQ-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1-c1cc(C)cc(C)c1 ZINC000826264006 609246121 /nfs/dbraw/zinc/24/61/21/609246121.db2.gz ZDYOSKCIQNBJRQ-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1-c1cc(C)cc(C)c1 ZINC000826264006 609246122 /nfs/dbraw/zinc/24/61/22/609246122.db2.gz ZDYOSKCIQNBJRQ-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cccc1N1CCOC1=O ZINC000826242359 609279700 /nfs/dbraw/zinc/27/97/00/609279700.db2.gz LOWKFPYBTQURJM-SFHVURJKSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cccc1N1CCOC1=O ZINC000826242359 609279701 /nfs/dbraw/zinc/27/97/01/609279701.db2.gz LOWKFPYBTQURJM-SFHVURJKSA-N -1 3 390.447 3.621 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000825323451 609281468 /nfs/dbraw/zinc/28/14/68/609281468.db2.gz WEOWPUOQNOAKHV-CQSZACIVSA-N -1 3 376.464 3.729 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000825323451 609281469 /nfs/dbraw/zinc/28/14/69/609281469.db2.gz WEOWPUOQNOAKHV-CQSZACIVSA-N -1 3 376.464 3.729 20 0 GHADHM Cc1ccnc(-c2ccc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000826308523 609299940 /nfs/dbraw/zinc/29/99/40/609299940.db2.gz CZIYEUBLVYHMAT-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1ccnc(-c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000826308523 609299941 /nfs/dbraw/zinc/29/99/41/609299941.db2.gz CZIYEUBLVYHMAT-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1C ZINC000825081061 609303762 /nfs/dbraw/zinc/30/37/62/609303762.db2.gz FFZLMCNXHFBDAJ-JTQLQIEISA-N -1 3 385.497 3.535 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1C ZINC000825081061 609303764 /nfs/dbraw/zinc/30/37/64/609303764.db2.gz FFZLMCNXHFBDAJ-JTQLQIEISA-N -1 3 385.497 3.535 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1C ZINC000825081512 609303900 /nfs/dbraw/zinc/30/39/00/609303900.db2.gz KOOHLPKEZCSDRS-NSHDSACASA-N -1 3 399.524 3.925 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1C ZINC000825081512 609303902 /nfs/dbraw/zinc/30/39/02/609303902.db2.gz KOOHLPKEZCSDRS-NSHDSACASA-N -1 3 399.524 3.925 20 0 GHADHM Cc1nnc(SCc2cccc(Br)c2C)c(-c2nnn[n-]2)c1C ZINC000826337148 609306294 /nfs/dbraw/zinc/30/62/94/609306294.db2.gz DJYJGGOZSHGMCG-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM Cc1nnc(SCc2cccc(Br)c2C)c(-c2nn[n-]n2)c1C ZINC000826337148 609306296 /nfs/dbraw/zinc/30/62/96/609306296.db2.gz DJYJGGOZSHGMCG-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM Cn1cc(C=Cc2ccc3ccccc3n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359800 609308470 /nfs/dbraw/zinc/30/84/70/609308470.db2.gz QMBNKWMMHKVGBW-QBFSEMIESA-N -1 3 379.427 3.986 20 0 GHADHM Cn1cc(C=Cc2ccc3ccccc3n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359800 609308471 /nfs/dbraw/zinc/30/84/71/609308471.db2.gz QMBNKWMMHKVGBW-QBFSEMIESA-N -1 3 379.427 3.986 20 0 GHADHM CC(=O)c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824024502 609310262 /nfs/dbraw/zinc/31/02/62/609310262.db2.gz HJXNOCPAGLAIPD-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824024502 609310263 /nfs/dbraw/zinc/31/02/63/609310263.db2.gz HJXNOCPAGLAIPD-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM O=C([C@@H](F)Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826396762 609313094 /nfs/dbraw/zinc/31/30/94/609313094.db2.gz KDRXRUHTBSKRSD-SFHVURJKSA-N -1 3 391.406 3.574 20 0 GHADHM O=C([C@@H](F)Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826396762 609313095 /nfs/dbraw/zinc/31/30/95/609313095.db2.gz KDRXRUHTBSKRSD-SFHVURJKSA-N -1 3 391.406 3.574 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1ccc(Cl)cc1 ZINC000826278480 609317199 /nfs/dbraw/zinc/31/71/99/609317199.db2.gz FHYHBXCLWZCWKN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1ccc(Cl)cc1 ZINC000826278480 609317201 /nfs/dbraw/zinc/31/72/01/609317201.db2.gz FHYHBXCLWZCWKN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825050108 609341508 /nfs/dbraw/zinc/34/15/08/609341508.db2.gz GUUMFYGXFPKLLV-UONOGXRCSA-N -1 3 396.470 3.841 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658643 609347170 /nfs/dbraw/zinc/34/71/70/609347170.db2.gz ZDLYYHBIDWBOGY-CQSZACIVSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658643 609347171 /nfs/dbraw/zinc/34/71/71/609347171.db2.gz ZDLYYHBIDWBOGY-CQSZACIVSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824723320 609351091 /nfs/dbraw/zinc/35/10/91/609351091.db2.gz PUBOGSLLSFPUBU-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824723320 609351092 /nfs/dbraw/zinc/35/10/92/609351092.db2.gz PUBOGSLLSFPUBU-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM Cc1ccc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2Br)o1 ZINC000826286014 609362535 /nfs/dbraw/zinc/36/25/35/609362535.db2.gz QBPTWMWQZQTGKS-HNNXBMFYSA-N -1 3 388.269 3.868 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)cn1 ZINC000824281080 609380426 /nfs/dbraw/zinc/38/04/26/609380426.db2.gz YUAJIWHBBPXRAW-UHFFFAOYSA-N -1 3 399.524 3.692 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)cn1 ZINC000824281080 609380428 /nfs/dbraw/zinc/38/04/28/609380428.db2.gz YUAJIWHBBPXRAW-UHFFFAOYSA-N -1 3 399.524 3.692 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cc1O ZINC000826291752 609388708 /nfs/dbraw/zinc/38/87/08/609388708.db2.gz UQIOUISHXYQOSS-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cc1O ZINC000826291752 609388710 /nfs/dbraw/zinc/38/87/10/609388710.db2.gz UQIOUISHXYQOSS-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(O)c(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826291770 609392962 /nfs/dbraw/zinc/39/29/62/609392962.db2.gz VNIZRAJQUARTJW-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(O)c(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826291770 609392963 /nfs/dbraw/zinc/39/29/63/609392963.db2.gz VNIZRAJQUARTJW-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366861 609397061 /nfs/dbraw/zinc/39/70/61/609397061.db2.gz HCJQXBLCDHAKNJ-CXAGYDPISA-N -1 3 391.903 3.714 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366861 609397063 /nfs/dbraw/zinc/39/70/63/609397063.db2.gz HCJQXBLCDHAKNJ-CXAGYDPISA-N -1 3 391.903 3.714 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1-c1nnn[n-]1 ZINC000824919739 609405665 /nfs/dbraw/zinc/40/56/65/609405665.db2.gz XUXRIAXQSIPZPY-JLTOFOAXSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000824919739 609405667 /nfs/dbraw/zinc/40/56/67/609405667.db2.gz XUXRIAXQSIPZPY-JLTOFOAXSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)(C)c1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)cc1 ZINC000824136765 609440927 /nfs/dbraw/zinc/44/09/27/609440927.db2.gz VOWDVPOJKYBQPV-UHFFFAOYSA-N -1 3 393.476 3.868 20 0 GHADHM CC(C)(C)c1ccc(-c2csc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)cc1 ZINC000824136765 609440930 /nfs/dbraw/zinc/44/09/30/609440930.db2.gz VOWDVPOJKYBQPV-UHFFFAOYSA-N -1 3 393.476 3.868 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826459424 609460419 /nfs/dbraw/zinc/46/04/19/609460419.db2.gz IYGNENKBQPIFFD-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826459424 609460420 /nfs/dbraw/zinc/46/04/20/609460420.db2.gz IYGNENKBQPIFFD-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(c1ccc(-c2ccccc2)o1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826470732 609477676 /nfs/dbraw/zinc/47/76/76/609477676.db2.gz ARJCNSXWGAESRW-UHFFFAOYSA-N -1 3 385.427 3.932 20 0 GHADHM O=C(c1ccc(-c2ccccc2)o1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826470732 609477678 /nfs/dbraw/zinc/47/76/78/609477678.db2.gz ARJCNSXWGAESRW-UHFFFAOYSA-N -1 3 385.427 3.932 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000825552941 609487324 /nfs/dbraw/zinc/48/73/24/609487324.db2.gz GHRNWBOAILFZTK-GOEBONIOSA-N -1 3 378.436 3.651 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000825552941 609487327 /nfs/dbraw/zinc/48/73/27/609487327.db2.gz GHRNWBOAILFZTK-GOEBONIOSA-N -1 3 378.436 3.651 20 0 GHADHM COC(=O)[C@H](Cc1ccc(F)cc1)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826104454 609489745 /nfs/dbraw/zinc/48/97/45/609489745.db2.gz WUOHGVZUEBBSPI-HNNXBMFYSA-N -1 3 392.843 3.536 20 0 GHADHM COC(=O)[C@H](Cc1ccc(F)cc1)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826104454 609489748 /nfs/dbraw/zinc/48/97/48/609489748.db2.gz WUOHGVZUEBBSPI-HNNXBMFYSA-N -1 3 392.843 3.536 20 0 GHADHM CCOCc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1OC ZINC000825604683 609493435 /nfs/dbraw/zinc/49/34/35/609493435.db2.gz JPLYAKBHJMUHPQ-UHFFFAOYSA-N -1 3 397.479 3.811 20 0 GHADHM CCOCc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1OC ZINC000825604683 609493436 /nfs/dbraw/zinc/49/34/36/609493436.db2.gz JPLYAKBHJMUHPQ-UHFFFAOYSA-N -1 3 397.479 3.811 20 0 GHADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000825052123 609527683 /nfs/dbraw/zinc/52/76/83/609527683.db2.gz UVDQTWNNOQXBDE-GXTWGEPZSA-N -1 3 380.452 3.983 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825182322 609538811 /nfs/dbraw/zinc/53/88/11/609538811.db2.gz HWKBZKNAFKOKOD-WBVHZDCISA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825182322 609538812 /nfs/dbraw/zinc/53/88/12/609538812.db2.gz HWKBZKNAFKOKOD-WBVHZDCISA-N -1 3 393.447 3.803 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)n1 ZINC000825739937 609543521 /nfs/dbraw/zinc/54/35/21/609543521.db2.gz LEJIHALBNCWXPG-LLVKDONJSA-N -1 3 389.916 3.626 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)n1 ZINC000825739937 609543525 /nfs/dbraw/zinc/54/35/25/609543525.db2.gz LEJIHALBNCWXPG-LLVKDONJSA-N -1 3 389.916 3.626 20 0 GHADHM COc1cccc(CNc2nccc(C)c2-c2nnn[n-]2)c1OC1CCCC1 ZINC000826216321 609553422 /nfs/dbraw/zinc/55/34/22/609553422.db2.gz SMLNCFADGRVBOP-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM COc1cccc(CNc2nccc(C)c2-c2nn[n-]n2)c1OC1CCCC1 ZINC000826216321 609553424 /nfs/dbraw/zinc/55/34/24/609553424.db2.gz SMLNCFADGRVBOP-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM Cc1nc(CNc2nccc(C)c2-c2nnn[n-]2)oc1-c1ccc(Cl)cc1 ZINC000826314720 609577927 /nfs/dbraw/zinc/57/79/27/609577927.db2.gz KAWUYCYLNNNQJC-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Cc1nc(CNc2nccc(C)c2-c2nn[n-]n2)oc1-c1ccc(Cl)cc1 ZINC000826314720 609577929 /nfs/dbraw/zinc/57/79/29/609577929.db2.gz KAWUYCYLNNNQJC-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Cc1ccnc(N2CCC[C@H](COc3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826310256 609581378 /nfs/dbraw/zinc/58/13/78/609581378.db2.gz PYSVPSRZPILFJN-AWEZNQCLSA-N -1 3 384.871 3.519 20 0 GHADHM Cc1ccnc(N2CCC[C@H](COc3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826310256 609581381 /nfs/dbraw/zinc/58/13/81/609581381.db2.gz PYSVPSRZPILFJN-AWEZNQCLSA-N -1 3 384.871 3.519 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1SCCc2ccccc21 ZINC000826465729 609615270 /nfs/dbraw/zinc/61/52/70/609615270.db2.gz ZRJRDOHXDYRGAQ-MRXNPFEDSA-N -1 3 386.864 3.594 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1SCCc2ccccc21 ZINC000826465729 609615272 /nfs/dbraw/zinc/61/52/72/609615272.db2.gz ZRJRDOHXDYRGAQ-MRXNPFEDSA-N -1 3 386.864 3.594 20 0 GHADHM Cc1ccc(SC2(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)CCCC2)cc1 ZINC000176636329 837473039 /nfs/dbraw/zinc/47/30/39/837473039.db2.gz PWMXEAUSKMMIOQ-UHFFFAOYSA-N -1 3 399.560 3.849 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)cc1 ZINC000017128477 837504198 /nfs/dbraw/zinc/50/41/98/837504198.db2.gz UMCVKZPTZVBPKR-UHFFFAOYSA-N -1 3 390.505 3.580 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000613368788 837753868 /nfs/dbraw/zinc/75/38/68/837753868.db2.gz HAXHGNSQXPEMTE-INIZCTEOSA-N -1 3 385.407 3.680 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)c(C)cc2Br)c(=O)[n-]1 ZINC000153871228 834403079 /nfs/dbraw/zinc/40/30/79/834403079.db2.gz PLJHEUPTXFXQDF-UHFFFAOYSA-N -1 3 398.688 3.682 20 0 GHADHM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000414401278 837769341 /nfs/dbraw/zinc/76/93/41/837769341.db2.gz WBAMKIWLUIGMQI-AWEZNQCLSA-N -1 3 377.462 3.551 20 0 GHADHM CC(C)OC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000127611705 834498032 /nfs/dbraw/zinc/49/80/32/834498032.db2.gz STSCLTRDGOAHKZ-JTQLQIEISA-N -1 3 378.475 3.990 20 0 GHADHM COC(=O)c1c(C)csc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000583524446 834557225 /nfs/dbraw/zinc/55/72/25/834557225.db2.gz PFCUQQXWZNTLCX-UHFFFAOYSA-N -1 3 390.392 3.802 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1[O-] ZINC000094156157 834728661 /nfs/dbraw/zinc/72/86/61/834728661.db2.gz ZKENDVRMTLRRPW-SFHVURJKSA-N -1 3 382.460 3.515 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000683171808 834906776 /nfs/dbraw/zinc/90/67/76/834906776.db2.gz PRYCYVUXYDECQN-MRXNPFEDSA-N -1 3 379.840 3.671 20 0 GHADHM Cc1c(F)ccc(Cl)c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511287196 835000549 /nfs/dbraw/zinc/00/05/49/835000549.db2.gz QXOYIEIAFAUFCW-UHFFFAOYSA-N -1 3 382.620 3.872 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H](O)c1ccccc1 ZINC000728594951 835052608 /nfs/dbraw/zinc/05/26/08/835052608.db2.gz WPKQCEIZPNDEIK-WIYYLYMNSA-N -1 3 392.459 3.791 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000154056010 835088568 /nfs/dbraw/zinc/08/85/68/835088568.db2.gz SFPUIKGLQWVGEO-UHFFFAOYSA-N -1 3 399.900 3.528 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511301094 835100502 /nfs/dbraw/zinc/10/05/02/835100502.db2.gz MBKMWKCUXBKCCZ-SNVBAGLBSA-N -1 3 394.656 3.578 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000583877504 835180046 /nfs/dbraw/zinc/18/00/46/835180046.db2.gz NADVUSXVCASHSX-UHFFFAOYSA-N -1 3 397.397 3.624 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000117298115 835210319 /nfs/dbraw/zinc/21/03/19/835210319.db2.gz DUAPYLCAHCMQJH-SFHVURJKSA-N -1 3 393.484 3.605 20 0 GHADHM C[C@@H]1CN(CCC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000187373308 835310441 /nfs/dbraw/zinc/31/04/41/835310441.db2.gz UTADUHVZUFZBAR-OKILXGFUSA-N -1 3 398.906 3.536 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511318664 835314238 /nfs/dbraw/zinc/31/42/38/835314238.db2.gz HCPKPFVTHYQIGJ-GFCCVEGCSA-N -1 3 390.306 3.779 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509862907 844046620 /nfs/dbraw/zinc/04/66/20/844046620.db2.gz ILJLLYOLUAHYGP-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000030362572 835431527 /nfs/dbraw/zinc/43/15/27/835431527.db2.gz QDBBOLLCBXCPQV-UHFFFAOYSA-N -1 3 395.937 3.807 20 0 GHADHM O=C(Cc1coc(-c2ccccc2)n1)NCc1ccc([O-])c(Br)c1 ZINC000151583886 835558393 /nfs/dbraw/zinc/55/83/93/835558393.db2.gz CTMNGUKAIHZVCJ-UHFFFAOYSA-N -1 3 387.233 3.669 20 0 GHADHM COc1cccc([C@H](C)CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151613260 835656073 /nfs/dbraw/zinc/65/60/73/835656073.db2.gz OPVZDGODKDKKSI-GFCCVEGCSA-N -1 3 378.266 3.973 20 0 GHADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c(C)c1 ZINC000047268074 835680603 /nfs/dbraw/zinc/68/06/03/835680603.db2.gz LIUGVMRJZWTZTG-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(Cl)ccc1C(F)(F)F ZINC000509876586 844080920 /nfs/dbraw/zinc/08/09/20/844080920.db2.gz FPGZWXDTWJQIEY-UHOFOFEASA-N -1 3 387.810 3.975 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1C ZINC000134459460 835731051 /nfs/dbraw/zinc/73/10/51/835731051.db2.gz DBEDFBIFVVGDSZ-UHFFFAOYSA-N -1 3 390.358 3.912 20 0 GHADHM CCCCCCOCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768231 835742246 /nfs/dbraw/zinc/74/22/46/835742246.db2.gz SRXQKJJZQRALGK-UHFFFAOYSA-N -1 3 396.915 3.820 20 0 GHADHM O=C(CCc1cnc2ccccc2c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000472315272 835750821 /nfs/dbraw/zinc/75/08/21/835750821.db2.gz IQJWAKLDAGJKMB-UHFFFAOYSA-N -1 3 378.382 3.896 20 0 GHADHM CC[C@@H]1CN(C)c2ccccc2CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000127329099 835759982 /nfs/dbraw/zinc/75/99/82/835759982.db2.gz GKICZLNLFYRMRI-MRXNPFEDSA-N -1 3 388.471 3.900 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(Cc2cccs2)CCCCC1 ZINC000685721954 835775447 /nfs/dbraw/zinc/77/54/47/835775447.db2.gz QWPQHSMKVPHZBV-UHFFFAOYSA-N -1 3 381.505 3.738 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(Cc2cccs2)CCCCC1 ZINC000685721954 835775454 /nfs/dbraw/zinc/77/54/54/835775454.db2.gz QWPQHSMKVPHZBV-UHFFFAOYSA-N -1 3 381.505 3.738 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C2CC2)c1 ZINC000584392326 835971871 /nfs/dbraw/zinc/97/18/71/835971871.db2.gz CYIHRXTVZAJJSN-MGPUTAFESA-N -1 3 378.472 3.752 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ccc(F)cc4)C3)nc2)n1 ZINC000413608992 835985356 /nfs/dbraw/zinc/98/53/56/835985356.db2.gz UHPWPNTZPMTDMR-QGZVFWFLSA-N -1 3 379.439 3.637 20 0 GHADHM CC(C)C[C@H](CNCc1cn(-c2cccc(Cl)c2Cl)nn1)CC(=O)[O-] ZINC000276950886 844119553 /nfs/dbraw/zinc/11/95/53/844119553.db2.gz DUBYJKNDRRZIIE-LBPRGKRZSA-N -1 3 385.295 3.801 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000175364095 836290688 /nfs/dbraw/zinc/29/06/88/836290688.db2.gz JABAQKLAFOIHKA-UHFFFAOYSA-N -1 3 392.499 3.651 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccs1 ZINC000549721307 844165137 /nfs/dbraw/zinc/16/51/37/844165137.db2.gz DHGQYNFXONLDSK-ZDUSSCGKSA-N -1 3 395.472 3.956 20 0 GHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174612427 836492132 /nfs/dbraw/zinc/49/21/32/836492132.db2.gz YEMKDKRMNCZJHU-INIZCTEOSA-N -1 3 377.444 3.566 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(Cc2ccccc2F)s1 ZINC000547795310 836647449 /nfs/dbraw/zinc/64/74/49/836647449.db2.gz WJDDAWVZKBKCPJ-UHFFFAOYSA-N -1 3 393.447 3.765 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCc2cccc(C(F)(F)F)c2)n1 ZINC000636110901 836708086 /nfs/dbraw/zinc/70/80/86/836708086.db2.gz ODJNFILFDFNKEL-UHFFFAOYSA-N -1 3 381.398 3.884 20 0 GHADHM CCc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000469048941 844207303 /nfs/dbraw/zinc/20/73/03/844207303.db2.gz VCAYHAGQGIWGHN-CQSZACIVSA-N -1 3 377.510 3.860 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000613014477 837090531 /nfs/dbraw/zinc/09/05/31/837090531.db2.gz OTEBXGHNDRBBQN-MRXNPFEDSA-N -1 3 380.473 3.877 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@](C)(Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000414052101 837265956 /nfs/dbraw/zinc/26/59/56/837265956.db2.gz KPQSUACTQFXUMC-QHCPKHFHSA-N -1 3 375.472 3.616 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(Br)cc1 ZINC000110122379 844256179 /nfs/dbraw/zinc/25/61/79/844256179.db2.gz DCJSTAWZFRTZRS-UHFFFAOYSA-N -1 3 396.241 3.575 20 0 GHADHM O=c1[n-]c(SC[C@H]2CCC[C@H](O)C2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000644101499 837314249 /nfs/dbraw/zinc/31/42/49/837314249.db2.gz MJDZOLFSEPSDHF-FZMZJTMJSA-N -1 3 390.896 3.818 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC[C@H](C)C3)nc(=O)c2c1C ZINC000187969567 838290133 /nfs/dbraw/zinc/29/01/33/838290133.db2.gz RHWJFRVGIJMVJR-WCQYABFASA-N -1 3 377.510 3.653 20 0 GHADHM Cc1ccc([C@H](CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)N2CCCC2)cc1 ZINC000659394985 838352829 /nfs/dbraw/zinc/35/28/29/838352829.db2.gz BLBMSKTZWNRJRK-ICSRJNTNSA-N -1 3 389.540 3.568 20 0 GHADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1cccc(Br)c1Cl ZINC000556372654 838368465 /nfs/dbraw/zinc/36/84/65/838368465.db2.gz ZGWWZFBQGGKRLV-UHFFFAOYSA-N -1 3 386.698 3.548 20 0 GHADHM C[C@@](CO)([N-]C(=O)C(F)(F)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001167335109 838488071 /nfs/dbraw/zinc/48/80/71/838488071.db2.gz VARSYTPUZDJNBF-KRWDZBQOSA-N -1 3 387.348 3.907 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1cnc(Cl)c(Cl)c1 ZINC000325674629 838504723 /nfs/dbraw/zinc/50/47/23/838504723.db2.gz MMQSYJPDTSGRCH-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C(C)C)C3CCC3)cs2)c1 ZINC000180053354 838554904 /nfs/dbraw/zinc/55/49/04/838554904.db2.gz SGOCODSCCXDHSY-UHFFFAOYSA-N -1 3 387.505 3.741 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)C3(C)CC3)cs2)c1 ZINC000180140473 838561954 /nfs/dbraw/zinc/56/19/54/838561954.db2.gz CXYLBUODPIIFPA-CYBMUJFWSA-N -1 3 387.505 3.599 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000180851580 838573403 /nfs/dbraw/zinc/57/34/03/838573403.db2.gz YYXKDAURJQBLBJ-ZDUSSCGKSA-N -1 3 399.834 3.821 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCC([C@H]2CCCCO2)CC1 ZINC000659790055 838670412 /nfs/dbraw/zinc/67/04/12/838670412.db2.gz SCOCWMCKZBMKIN-IAGOWNOFSA-N -1 3 382.298 3.856 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC000416250851 838817480 /nfs/dbraw/zinc/81/74/80/838817480.db2.gz GSJKCMZVWNWMNB-HNNXBMFYSA-N -1 3 393.480 3.526 20 0 GHADHM Cc1cccnc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182898695 838851013 /nfs/dbraw/zinc/85/10/13/838851013.db2.gz SWAXWVJPELJSHD-LJQANCHMSA-N -1 3 375.428 3.596 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893204557 838869876 /nfs/dbraw/zinc/86/98/76/838869876.db2.gz KRHPQPMOYCKDNY-UHFFFAOYSA-N -1 3 384.823 3.646 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1F ZINC000045996988 838901887 /nfs/dbraw/zinc/90/18/87/838901887.db2.gz SXKRPUSJPSHNBH-UHFFFAOYSA-N -1 3 394.468 3.552 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)C3CCCC3)cs2)c1 ZINC000183808594 839073705 /nfs/dbraw/zinc/07/37/05/839073705.db2.gz GRGLJQPAOOHQAI-CYBMUJFWSA-N -1 3 387.505 3.647 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)c1nccs1 ZINC000416404126 839149310 /nfs/dbraw/zinc/14/93/10/839149310.db2.gz VQZPMDPBXXKPSD-NSHDSACASA-N -1 3 393.303 3.783 20 0 GHADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ncccc1[O-] ZINC000471553275 839217729 /nfs/dbraw/zinc/21/77/29/839217729.db2.gz XJLLMVVDLWDBKE-UHFFFAOYSA-N -1 3 399.454 3.639 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)c[n-]c12 ZINC000155659182 839247349 /nfs/dbraw/zinc/24/73/49/839247349.db2.gz IJKDRYSNQZEKSO-QGZVFWFLSA-N -1 3 396.418 3.786 20 0 GHADHM O=C(OC[C@@H]1CCC2(CCOCC2)CO1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085970 839253776 /nfs/dbraw/zinc/25/37/76/839253776.db2.gz ZXIMCIWZKYTIPN-LBPRGKRZSA-N -1 3 380.391 3.633 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(C)OCCc4sccc43)nc2)n1 ZINC000377329930 839329208 /nfs/dbraw/zinc/32/92/08/839329208.db2.gz JYXVWAMMNSQKAZ-FQEVSTJZSA-N -1 3 382.489 3.768 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)cc1Cl ZINC000660035576 839404697 /nfs/dbraw/zinc/40/46/97/839404697.db2.gz WZZYYRVGZQKSRS-GCVQQVDUSA-N -1 3 394.871 3.633 20 0 GHADHM CCCCCOc1ccc([C@@H](C)NC(=O)NCc2ncccc2[O-])cc1OC ZINC000471611322 840040488 /nfs/dbraw/zinc/04/04/88/840040488.db2.gz CGSXVZZGMBPTFT-OAHLLOKOSA-N -1 3 387.480 3.925 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C)c1ccc(C)o1 ZINC000510342098 840102162 /nfs/dbraw/zinc/10/21/62/840102162.db2.gz NDSSOQYLWSDGDQ-CYBMUJFWSA-N -1 3 377.384 3.581 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1)C(C)C ZINC000647131834 840118208 /nfs/dbraw/zinc/11/82/08/840118208.db2.gz IRIXVIBQFUPROC-OAHLLOKOSA-N -1 3 388.486 3.796 20 0 GHADHM CCn1c(CN2CCC[C@@H]2Cc2cccc(OC)c2)nc2cc(C(=O)[O-])ccc21 ZINC000580778890 840166950 /nfs/dbraw/zinc/16/69/50/840166950.db2.gz SBWPAQSAOIWTHB-GOSISDBHSA-N -1 3 393.487 3.970 20 0 GHADHM CC(C)S(=O)(=O)Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468774742 840206264 /nfs/dbraw/zinc/20/62/64/840206264.db2.gz BRTNGXVXUPYEPJ-UHFFFAOYSA-N -1 3 393.480 3.816 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000042349115 840251876 /nfs/dbraw/zinc/25/18/76/840251876.db2.gz SGWNOXCCMZYTRG-QFIPXVFZSA-N -1 3 389.499 3.810 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(C)ccc3C)c2)[n-]1 ZINC000432901272 844519396 /nfs/dbraw/zinc/51/93/96/844519396.db2.gz IHTWPYSWEVQVCL-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(C)ccc3C)c2)n[n-]1 ZINC000432901272 844519403 /nfs/dbraw/zinc/51/94/03/844519403.db2.gz IHTWPYSWEVQVCL-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CCOc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc(Cl)c1[O-] ZINC000186757254 840493205 /nfs/dbraw/zinc/49/32/05/840493205.db2.gz IHEIXQFIKPZBHR-INIZCTEOSA-N -1 3 392.883 3.913 20 0 GHADHM CCCCc1noc([C@@H](C)[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417151071 840508488 /nfs/dbraw/zinc/50/84/88/840508488.db2.gz QSLRAXDEDSKGLX-PFUSGODGSA-N -1 3 386.477 3.585 20 0 GHADHM O=c1cc(C[S@](=O)Cc2csc(Cc3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000417160855 840528183 /nfs/dbraw/zinc/52/81/83/840528183.db2.gz QJYPDQBOUPSMTN-SANMLTNESA-N -1 3 385.514 3.556 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)c(C)s1 ZINC000216472684 844554005 /nfs/dbraw/zinc/55/40/05/844554005.db2.gz SKYVYUORYBAOAG-UHFFFAOYSA-N -1 3 399.969 3.571 20 0 GHADHM O=C([N-]c1nncn1Cc1ccccc1)c1c(F)ccc(Br)c1F ZINC000581047213 840638495 /nfs/dbraw/zinc/63/84/95/840638495.db2.gz VATDTUJBABWSHO-UHFFFAOYSA-N -1 3 393.191 3.619 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC000651547420 840689053 /nfs/dbraw/zinc/68/90/53/840689053.db2.gz IAVHXQJIALLPQG-QMMMGPOBSA-N -1 3 381.342 3.623 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047267876 840723950 /nfs/dbraw/zinc/72/39/50/840723950.db2.gz KHBPESCSPASWJX-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM O=S(=O)([N-]CCCC(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001211831697 844573851 /nfs/dbraw/zinc/57/38/51/844573851.db2.gz JXLMEWHLBAERKZ-UHFFFAOYSA-N -1 3 380.613 3.723 20 0 GHADHM O=C(Cc1ccccc1Cl)Nc1cc(I)ccc1[O-] ZINC000610485661 840863659 /nfs/dbraw/zinc/86/36/59/840863659.db2.gz VTWPATFGIAPDKX-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(I)ccc1[O-] ZINC000610485715 840864583 /nfs/dbraw/zinc/86/45/83/840864583.db2.gz ATTPIGXGYWZHQG-CQSZACIVSA-N -1 3 389.233 3.673 20 0 GHADHM C[C@H](CC(=O)Nc1cc(I)ccc1[O-])c1cccnc1 ZINC000610491000 840973610 /nfs/dbraw/zinc/97/36/10/840973610.db2.gz PKPLRZJZSMJGPD-SNVBAGLBSA-N -1 3 382.201 3.524 20 0 GHADHM COc1cc(C[C@@H](NCc2csc(Cl)c2Cl)C(=O)[O-])cc(OC)c1 ZINC000417574204 841012657 /nfs/dbraw/zinc/01/26/57/841012657.db2.gz RFEQEFSBMYBZAW-CYBMUJFWSA-N -1 3 390.288 3.858 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@@H](C)C3CC3)c2)cc1 ZINC000636650976 841073258 /nfs/dbraw/zinc/07/32/58/841073258.db2.gz YRJVYWNIEBPEOQ-INIZCTEOSA-N -1 3 386.517 3.975 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000417640804 841091583 /nfs/dbraw/zinc/09/15/83/841091583.db2.gz NCDFOOOBBWMYNE-FQEVSTJZSA-N -1 3 393.487 3.792 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000651618495 841148307 /nfs/dbraw/zinc/14/83/07/841148307.db2.gz LZWQKBYQGKEQJE-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429844625 844615508 /nfs/dbraw/zinc/61/55/08/844615508.db2.gz LOHABLSHMRJLMW-YPMHNXCESA-N -1 3 396.734 3.584 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC001125994407 841208974 /nfs/dbraw/zinc/20/89/74/841208974.db2.gz ITJQVSJQJQWKJA-NSHDSACASA-N -1 3 397.219 3.684 20 0 GHADHM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)C1=Cc2ccccc2OC1 ZINC000190233112 841314437 /nfs/dbraw/zinc/31/44/37/841314437.db2.gz IEMSBLHXFMHTKU-UHFFFAOYSA-N -1 3 385.363 3.803 20 0 GHADHM COc1cc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)ccc1F ZINC000549532314 841426433 /nfs/dbraw/zinc/42/64/33/841426433.db2.gz DAYUUQGYYXSGGD-UHFFFAOYSA-N -1 3 380.419 3.656 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1)C1CCCC1 ZINC000656616022 841566425 /nfs/dbraw/zinc/56/64/25/841566425.db2.gz OQRMENXSAWCSRP-QGZVFWFLSA-N -1 3 395.550 3.518 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)C[C@H](OC)C3CCCC3)c2C1 ZINC000656620382 841580786 /nfs/dbraw/zinc/58/07/86/841580786.db2.gz BHLJRKXHOMWXIM-FQEVSTJZSA-N -1 3 380.554 3.749 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2noc(C3CCC3)n2)CC1 ZINC000625230270 861240580 /nfs/dbraw/zinc/24/05/80/861240580.db2.gz LPQJULZKPYZDMU-UHFFFAOYSA-N -1 3 390.871 3.547 20 0 GHADHM C[S@](=O)c1cccc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1 ZINC000613803548 841868611 /nfs/dbraw/zinc/86/86/11/841868611.db2.gz YVKLCSDVCWXGGP-VWLOTQADSA-N -1 3 394.283 3.795 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)cc1OC ZINC000119407853 841869111 /nfs/dbraw/zinc/86/91/11/841869111.db2.gz UWQZLLOMYKYRQG-AWEZNQCLSA-N -1 3 376.478 3.507 20 0 GHADHM CCOc1ccc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000656766083 841904191 /nfs/dbraw/zinc/90/41/91/841904191.db2.gz PZOXPUWCKRVIAY-SQNIBIBYSA-N -1 3 385.464 3.601 20 0 GHADHM FC(F)(F)c1cc(CNC2(c3nn[n-]n3)CCCC2)cc(C(F)(F)F)c1 ZINC000473128693 842000096 /nfs/dbraw/zinc/00/00/96/842000096.db2.gz UDJSXVJDFJKVFN-UHFFFAOYSA-N -1 3 379.308 3.796 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Cc4nc(C)cs4)C3)nc2)n1 ZINC000896624296 861260783 /nfs/dbraw/zinc/26/07/83/861260783.db2.gz XXTVPDIZHHDOAB-AWEZNQCLSA-N -1 3 381.505 3.641 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000656880388 842072109 /nfs/dbraw/zinc/07/21/09/842072109.db2.gz HXBBUWJXZBQZGB-UHFFFAOYSA-N -1 3 381.388 3.568 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000008167974 842220932 /nfs/dbraw/zinc/22/09/32/842220932.db2.gz IJCJNMQYSDCCHW-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000127311117 842231662 /nfs/dbraw/zinc/23/16/62/842231662.db2.gz CDXFSPNEZDZVJG-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM CSc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C)c3[O-])n2)cc1 ZINC000512047516 842320020 /nfs/dbraw/zinc/32/00/20/842320020.db2.gz ROEOIHWTQLLRBT-UHFFFAOYSA-N -1 3 397.485 3.772 20 0 GHADHM CC(C)=CCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000276639950 842389689 /nfs/dbraw/zinc/38/96/89/842389689.db2.gz QMOCPKWLUHUHED-UHFFFAOYSA-N -1 3 396.228 3.631 20 0 GHADHM O=C1CCCC12CCN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000661956904 842399421 /nfs/dbraw/zinc/39/94/21/842399421.db2.gz OVPTVODLCDPODN-UHFFFAOYSA-N -1 3 383.473 3.992 20 0 GHADHM CC(C)N(CC[C@H](C(=O)[O-])c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652393041 842438627 /nfs/dbraw/zinc/43/86/27/842438627.db2.gz USFIQYCHNYQTHS-KRWDZBQOSA-N -1 3 379.460 3.804 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3cccc(F)c3)c2)n1 ZINC000049304668 842480761 /nfs/dbraw/zinc/48/07/61/842480761.db2.gz AFKAWSRLVSYLPK-UHFFFAOYSA-N -1 3 381.407 3.546 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1F ZINC000135331612 842559763 /nfs/dbraw/zinc/55/97/63/842559763.db2.gz VJDQQUAJWIGFIK-UHFFFAOYSA-N -1 3 379.453 3.740 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(F)cc3Cl)cccc21 ZINC000432459457 842564515 /nfs/dbraw/zinc/56/45/15/842564515.db2.gz JUPZWOJOARQOHL-HNNXBMFYSA-N -1 3 384.860 3.665 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043045519 842621538 /nfs/dbraw/zinc/62/15/38/842621538.db2.gz NRBPYLVEBHHOAV-XJKSGUPXSA-N -1 3 393.915 3.984 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027685873 842639111 /nfs/dbraw/zinc/63/91/11/842639111.db2.gz RCCDXSTXXPCWGQ-UHFFFAOYSA-N -1 3 385.876 3.583 20 0 GHADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)n1 ZINC000652535183 842678636 /nfs/dbraw/zinc/67/86/36/842678636.db2.gz AVEZJRPZTNOQFM-CJNGLKHVSA-N -1 3 392.459 3.899 20 0 GHADHM O=C(c1cc(=O)[n-]cn1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000625262770 861335507 /nfs/dbraw/zinc/33/55/07/861335507.db2.gz GLIFTDRPVPTKTB-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)CC1CCCCC1 ZINC000279225525 842744050 /nfs/dbraw/zinc/74/40/50/842744050.db2.gz QDIAVSCKFCMZOX-OAHLLOKOSA-N -1 3 382.508 3.960 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050661858 842745880 /nfs/dbraw/zinc/74/58/80/842745880.db2.gz GHMRQTYSDDBJQN-KRWDZBQOSA-N -1 3 380.419 3.901 20 0 GHADHM O=C(CCNCc1c(F)ccc([O-])c1F)Nc1ccc(Br)cc1 ZINC000510536650 842923584 /nfs/dbraw/zinc/92/35/84/842923584.db2.gz YLJHGDGSZMQVCK-UHFFFAOYSA-N -1 3 385.208 3.551 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3oc(C(C)C)nc3c2)c([O-])c1 ZINC000060364140 842932614 /nfs/dbraw/zinc/93/26/14/842932614.db2.gz MFZCTFBJUMKJQS-UHFFFAOYSA-N -1 3 381.432 3.724 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)cc1OC ZINC000663260771 842944372 /nfs/dbraw/zinc/94/43/72/842944372.db2.gz DOUZWEBLMSLCQC-QGZVFWFLSA-N -1 3 399.415 3.599 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599588527 861369272 /nfs/dbraw/zinc/36/92/72/861369272.db2.gz IAUMYVBKQHKQRX-KGLIPLIRSA-N -1 3 397.475 3.881 20 0 GHADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)o1 ZINC000601943841 843048698 /nfs/dbraw/zinc/04/86/98/843048698.db2.gz YBENIOQFBIYPRC-UHFFFAOYSA-N -1 3 379.239 3.801 20 0 GHADHM Cc1ccc(SC[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000186695502 843154235 /nfs/dbraw/zinc/15/42/35/843154235.db2.gz AGXFAAATNOIRML-QFBILLFUSA-N -1 3 398.528 3.602 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000471882593 843219765 /nfs/dbraw/zinc/21/97/65/843219765.db2.gz HEVDBHAMJLGPHA-CYBMUJFWSA-N -1 3 375.425 3.532 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000625274230 861391948 /nfs/dbraw/zinc/39/19/48/861391948.db2.gz GYQQUCSXYXAVCB-GFCCVEGCSA-N -1 3 380.901 3.721 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000051190174 843258363 /nfs/dbraw/zinc/25/83/63/843258363.db2.gz WGWLONJNGHIBBA-UHFFFAOYSA-N -1 3 390.226 3.688 20 0 GHADHM COC(=O)c1cnc(SCC(=O)c2ccc(OCc3ccccc3)cc2)[n-]1 ZINC000432667375 843381055 /nfs/dbraw/zinc/38/10/55/843381055.db2.gz IEBBXELAUXGMAF-UHFFFAOYSA-N -1 3 382.441 3.750 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1c(F)ccc(F)c1F ZINC000614008316 843437372 /nfs/dbraw/zinc/43/73/72/843437372.db2.gz AGZRVLKJVHGHCX-UHFFFAOYSA-N -1 3 393.102 3.666 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1ccccc1COCc1ccccc1)c2[O-] ZINC000511976382 843459126 /nfs/dbraw/zinc/45/91/26/843459126.db2.gz YVCQLSFWGFDYGE-UHFFFAOYSA-N -1 3 388.427 3.643 20 0 GHADHM O=C(CCc1ccco1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512352835 843515661 /nfs/dbraw/zinc/51/56/61/843515661.db2.gz MQYCGCBXTVZTEC-UHFFFAOYSA-N -1 3 378.201 3.565 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024886023 843643881 /nfs/dbraw/zinc/64/38/81/843643881.db2.gz GAXDILNOVSEGPD-UHFFFAOYSA-N -1 3 390.486 3.920 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C)c1 ZINC000432762950 843746228 /nfs/dbraw/zinc/74/62/28/843746228.db2.gz LYGUFIGAWZVCFA-UHFFFAOYSA-N -1 3 399.896 3.791 20 0 GHADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000092263237 843755843 /nfs/dbraw/zinc/75/58/43/843755843.db2.gz QLVVKIKLGOAFGQ-LBPRGKRZSA-N -1 3 382.766 3.846 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cc(Cl)ccc1Br ZINC000429890515 843856650 /nfs/dbraw/zinc/85/66/50/843856650.db2.gz XUAYDHMQFGEYGJ-GFCCVEGCSA-N -1 3 396.734 3.730 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cc(Cl)ccc1Br ZINC000429890518 843856770 /nfs/dbraw/zinc/85/67/70/843856770.db2.gz XUAYDHMQFGEYGJ-LBPRGKRZSA-N -1 3 396.734 3.730 20 0 GHADHM CC(C)[C@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028262280 843961488 /nfs/dbraw/zinc/96/14/88/843961488.db2.gz NHBIJMBXONHNAK-NSHDSACASA-N -1 3 391.518 3.639 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=S)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000899677931 861493582 /nfs/dbraw/zinc/49/35/82/861493582.db2.gz KJIZPEMBDANPGU-HNNXBMFYSA-N -1 3 399.564 3.994 20 0 GHADHM CC(C)[C@H](NC(=O)CO[N-]C(=O)CCCc1ccccc1)c1ccc(F)cc1 ZINC000729264117 844817262 /nfs/dbraw/zinc/81/72/62/844817262.db2.gz XOQIFQJBJOBWAQ-QFIPXVFZSA-N -1 3 386.467 3.710 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)c1Cl ZINC000513169162 844973493 /nfs/dbraw/zinc/97/34/93/844973493.db2.gz AZHMFTIHUGADGW-UHFFFAOYSA-N -1 3 396.299 3.966 20 0 GHADHM COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ncccc2[O-])c1 ZINC000215656640 845012106 /nfs/dbraw/zinc/01/21/06/845012106.db2.gz MRFOZQSERPQNJR-UHFFFAOYSA-N -1 3 386.411 3.901 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3cc(Br)cs3)no1)OCO2 ZINC000436888570 845032648 /nfs/dbraw/zinc/03/26/48/845032648.db2.gz NWSUIKHHQQRGQE-UHFFFAOYSA-N -1 3 381.207 3.586 20 0 GHADHM COC(=O)c1[n-]c(=NCc2ccc(COCc3ccccc3)cc2)sc1C ZINC000433612434 845091820 /nfs/dbraw/zinc/09/18/20/845091820.db2.gz LRCHTPYODRYDIX-UHFFFAOYSA-N -1 3 382.485 3.989 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000513247236 845117837 /nfs/dbraw/zinc/11/78/37/845117837.db2.gz LUFQJCIJPGHOKZ-DOMZBBRYSA-N -1 3 397.500 3.663 20 0 GHADHM COc1cccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1[O-] ZINC000645093740 845120758 /nfs/dbraw/zinc/12/07/58/845120758.db2.gz PQEWJAVIXDXCTF-UHFFFAOYSA-N -1 3 391.449 3.936 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[n-]1 ZINC000433095991 845264731 /nfs/dbraw/zinc/26/47/31/845264731.db2.gz CEJFGGAAIHYOSI-ZDUSSCGKSA-N -1 3 381.457 3.783 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000013988204 845294664 /nfs/dbraw/zinc/29/46/64/845294664.db2.gz MQQMNPHSEBIQLC-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM COC(=O)c1[n-]c(=NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)sc1C ZINC000433771593 845312534 /nfs/dbraw/zinc/31/25/34/845312534.db2.gz RNKRJXOZAXQCKW-UHFFFAOYSA-N -1 3 399.447 3.664 20 0 GHADHM CCn1nc(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)c2ccccc21 ZINC000277220271 845331192 /nfs/dbraw/zinc/33/11/92/845331192.db2.gz HWAMBWZOJCVVQO-UHFFFAOYSA-N -1 3 378.476 3.513 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3ccc4n[nH]cc4c3)cc2)cc(=O)[n-]1 ZINC000513454512 845464963 /nfs/dbraw/zinc/46/49/63/845464963.db2.gz FYFLZYORLICTSJ-GFCCVEGCSA-N -1 3 388.431 3.917 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2coc(OCC)n2)nc1-c1ccccc1 ZINC000614261629 845465975 /nfs/dbraw/zinc/46/59/75/845465975.db2.gz ZBRAJDCSQSGZDY-UHFFFAOYSA-N -1 3 387.417 3.626 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)C[N-]C(=O)C(F)(F)c1ccccc1 ZINC000047247794 845609671 /nfs/dbraw/zinc/60/96/71/845609671.db2.gz OYYPCGQTKLFWQH-UHFFFAOYSA-N -1 3 397.219 3.604 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1cc(Cl)ccc1Cl ZINC000431296124 845657562 /nfs/dbraw/zinc/65/75/62/845657562.db2.gz TUWDWAXATODGIZ-UHFFFAOYSA-N -1 3 388.272 3.633 20 0 GHADHM CC1(C)CCC[C@@H](Sc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)C1=O ZINC000657283700 845667569 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GHADHM COC(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)[n-]1 ZINC000431355999 846359996 /nfs/dbraw/zinc/35/99/96/846359996.db2.gz KDHUNROWQMHFMW-UHFFFAOYSA-N -1 3 375.837 3.754 20 0 GHADHM Cc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)ccn1C(C)C ZINC000421679691 846482643 /nfs/dbraw/zinc/48/26/43/846482643.db2.gz NCVQVJMZFCJNQC-UHFFFAOYSA-N -1 3 393.207 3.573 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1C ZINC000280659489 846484737 /nfs/dbraw/zinc/48/47/37/846484737.db2.gz XGBMAISEMMVHAW-UHFFFAOYSA-N -1 3 378.450 3.600 20 0 GHADHM COc1ccc(-c2nnc(SCC(=O)Nc3c([O-])cccc3Cl)o2)cc1 ZINC000582151471 846514605 /nfs/dbraw/zinc/51/46/05/846514605.db2.gz ZXCCKRDXVCILOD-UHFFFAOYSA-N -1 3 391.836 3.835 20 0 GHADHM CCCc1[nH]ccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000421782395 846564108 /nfs/dbraw/zinc/56/41/08/846564108.db2.gz CJEIXHLLIVFLMQ-UHFFFAOYSA-N -1 3 389.883 3.817 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000501148801 846673656 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381.382 3.766 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)cc2)n1 ZINC000152376586 846825507 /nfs/dbraw/zinc/82/55/07/846825507.db2.gz JCMZGKGTODTKIE-CVEARBPZSA-N -1 3 381.382 3.766 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C(=O)NC(C)C ZINC000179739790 861742574 /nfs/dbraw/zinc/74/25/74/861742574.db2.gz JVQMNQNKNZTYBJ-UHFFFAOYSA-N -1 3 390.505 3.721 20 0 GHADHM O=C(COC(=O)c1ccccc1Nc1ccccc1)[N-]C(=O)c1cccs1 ZINC000006984696 847016862 /nfs/dbraw/zinc/01/68/62/847016862.db2.gz CVSRGPWRTRVHQL-UHFFFAOYSA-N -1 3 380.425 3.605 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000892258442 847017813 /nfs/dbraw/zinc/01/78/13/847017813.db2.gz XGTHODGQCWJIEI-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272317207 847046797 /nfs/dbraw/zinc/04/67/97/847046797.db2.gz STAJFRFLBXHGIX-UHFFFAOYSA-N -1 3 390.365 3.633 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2c(C)cc(C)cc2C)cc1OC ZINC000179795717 861783248 /nfs/dbraw/zinc/78/32/48/861783248.db2.gz KFORSWHNLZURQO-UHFFFAOYSA-N -1 3 390.505 3.563 20 0 GHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000158413676 847434284 /nfs/dbraw/zinc/43/42/84/847434284.db2.gz JXYNURFVHMDFKN-UHFFFAOYSA-N -1 3 391.468 3.544 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(C(C)C)c3)CC2)[n-]1 ZINC000277702709 847643018 /nfs/dbraw/zinc/64/30/18/847643018.db2.gz DKSQWYQYPPEAGS-UHFFFAOYSA-N -1 3 385.468 3.516 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(C(C)C)c3)CC2)n[n-]1 ZINC000277702709 847643023 /nfs/dbraw/zinc/64/30/23/847643023.db2.gz DKSQWYQYPPEAGS-UHFFFAOYSA-N -1 3 385.468 3.516 20 0 GHADHM CCCCOCCOCc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503454558 847704609 /nfs/dbraw/zinc/70/46/09/847704609.db2.gz NGZHWPUHJLFKKR-UHFFFAOYSA-N -1 3 386.427 3.683 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000421144968 847782302 /nfs/dbraw/zinc/78/23/02/847782302.db2.gz CJKGMGRSTZDIFL-CYBMUJFWSA-N -1 3 375.824 3.618 20 0 GHADHM NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000785140628 847872095 /nfs/dbraw/zinc/87/20/95/847872095.db2.gz JSHLTTZXLPMRAV-NSHDSACASA-N -1 3 395.164 3.594 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000421226540 847881555 /nfs/dbraw/zinc/88/15/55/847881555.db2.gz MNYINSRTKVQGCI-GOSISDBHSA-N -1 3 391.537 3.689 20 0 GHADHM Cc1c(Cl)c(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nn1C ZINC000421318398 847940676 /nfs/dbraw/zinc/94/06/76/847940676.db2.gz FDWMMAAIHMZFPA-UHFFFAOYSA-N -1 3 397.306 3.592 20 0 GHADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000116357721 847983563 /nfs/dbraw/zinc/98/35/63/847983563.db2.gz GADCUFZYWWPFEN-CYBMUJFWSA-N -1 3 398.450 3.608 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)cc1Cl ZINC000582834319 848515333 /nfs/dbraw/zinc/51/53/33/848515333.db2.gz GRCAFMDAKCKUIG-STQMWFEESA-N -1 3 388.892 3.542 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142646977 861917939 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GHADHM [O-]c1ccc(F)c(CNCCOc2ncc(C(F)(F)F)cc2Cl)c1F ZINC000511238763 849725612 /nfs/dbraw/zinc/72/56/12/849725612.db2.gz CBRCOFGQDATUMB-UHFFFAOYSA-N -1 3 382.716 3.906 20 0 GHADHM COc1ccc(COCCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126636942 849780531 /nfs/dbraw/zinc/78/05/31/849780531.db2.gz VJDIIKYFCZYQGF-UHFFFAOYSA-N -1 3 380.238 3.709 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Oc1ccncc1 ZINC000604310883 862075726 /nfs/dbraw/zinc/07/57/26/862075726.db2.gz DDNRYDYOVTYOFD-UHFFFAOYSA-N -1 3 397.456 3.806 20 0 GHADHM CCOc1ccccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000504235159 849970294 /nfs/dbraw/zinc/97/02/94/849970294.db2.gz IFGDHUBAHMHQFJ-UHFFFAOYSA-N -1 3 378.432 3.878 20 0 GHADHM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000908419484 850092487 /nfs/dbraw/zinc/09/24/87/850092487.db2.gz OLOZFOKJZYEVPO-XJKSGUPXSA-N -1 3 386.414 3.602 20 0 GHADHM CC(=O)Nc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000504480290 850092597 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GHADHM C[C@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CCC1 ZINC000908749348 850321238 /nfs/dbraw/zinc/32/12/38/850321238.db2.gz RPYRGUWFPZQYPS-NVXWUHKLSA-N -1 3 393.553 3.558 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)CN3CCCC[C@H]3CCC(=O)[O-])c2)cs1 ZINC000424259917 850321380 /nfs/dbraw/zinc/32/13/80/850321380.db2.gz NOVKQLKWSANTKG-KRWDZBQOSA-N -1 3 387.505 3.776 20 0 GHADHM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000908750394 850323275 /nfs/dbraw/zinc/32/32/75/850323275.db2.gz FYURHWOUNQLZRM-UXHICEINSA-N -1 3 387.524 3.546 20 0 GHADHM Cc1ccc([C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C(=O)[O-])cc1C ZINC000908751096 850328171 /nfs/dbraw/zinc/32/81/71/850328171.db2.gz JHVAWLICSMNGLF-NHCUHLMSSA-N -1 3 395.503 3.565 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908754773 850332336 /nfs/dbraw/zinc/33/23/36/850332336.db2.gz VFBHQCFJBNCSIB-SFTDATJTSA-N -1 3 397.519 3.594 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000908847906 850423516 /nfs/dbraw/zinc/42/35/16/850423516.db2.gz VUOLDISLMRTWJZ-NQIIRXRSSA-N -1 3 395.503 3.508 20 0 GHADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000481722314 862130117 /nfs/dbraw/zinc/13/01/17/862130117.db2.gz XYIZETFAYAOHAH-QZTJIDSGSA-N -1 3 399.491 3.552 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])C1 ZINC000908885249 850454365 /nfs/dbraw/zinc/45/43/65/850454365.db2.gz VGHHWXBZASPRKX-LQWHRVPQSA-N -1 3 395.503 3.507 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1CC ZINC000514959453 850536413 /nfs/dbraw/zinc/53/64/13/850536413.db2.gz VDDARYQJWXCJQK-CQSZACIVSA-N -1 3 386.517 3.910 20 0 GHADHM O=C([O-])Cn1ccc2cc(NC(=O)c3cccc(CN4CCCCC4)c3)ccc21 ZINC000909187105 850620338 /nfs/dbraw/zinc/62/03/38/850620338.db2.gz LYTQVRUFYIVAPK-UHFFFAOYSA-N -1 3 391.471 3.964 20 0 GHADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)c1 ZINC000506725702 850621560 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GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@](C)(O)c3ccc(F)cc3)nc(=O)c2c1C ZINC000909883011 850833768 /nfs/dbraw/zinc/83/37/68/850833768.db2.gz GIFHPTWUEADQPW-DGIBIBHMSA-N -1 3 390.436 3.665 20 0 GHADHM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)[C@@H]2CCCC[C@@H]12 ZINC000909957507 850870573 /nfs/dbraw/zinc/87/05/73/850870573.db2.gz DAMSJFPPFNQDIG-PWRODBHTSA-N -1 3 384.520 3.778 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2)C[C@H](C)O1 ZINC000909974036 850877933 /nfs/dbraw/zinc/87/79/33/850877933.db2.gz DEDGOBMWUJLRIG-BETUJISGSA-N -1 3 376.403 3.532 20 0 GHADHM COc1cccc([C@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000732295583 862181751 /nfs/dbraw/zinc/18/17/51/862181751.db2.gz DYSNKVGBENZVGE-HSZRJFAPSA-N -1 3 391.467 3.649 20 0 GHADHM Cn1cc([C@@H]2C[C@@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)cn1 ZINC000515310651 850903489 /nfs/dbraw/zinc/90/34/89/850903489.db2.gz XKTQDCQZUUTBMZ-KKSFZXQISA-N -1 3 393.443 3.568 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)c(C)o1 ZINC000434230175 850909451 /nfs/dbraw/zinc/90/94/51/850909451.db2.gz VPSSZXUPRJIMIT-LJQANCHMSA-N -1 3 392.521 3.747 20 0 GHADHM CCc1ccc([C@H](CO)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000513848526 850947781 /nfs/dbraw/zinc/94/77/81/850947781.db2.gz IWNRTWSXZHVYIK-FQEVSTJZSA-N -1 3 392.459 3.575 20 0 GHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1nnc2ccccc2c1[O-] ZINC000732284244 862191208 /nfs/dbraw/zinc/19/12/08/862191208.db2.gz MMSDAWZFQZFKGE-UHFFFAOYSA-N -1 3 387.361 3.816 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000515521335 851122692 /nfs/dbraw/zinc/12/26/92/851122692.db2.gz MRXWQSCFGRXRBF-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1cccc(Cl)c1 ZINC000514086147 851224577 /nfs/dbraw/zinc/22/45/77/851224577.db2.gz YYQPHLKEGJPJEI-UHFFFAOYSA-N -1 3 391.880 3.760 20 0 GHADHM COC(=O)[C@H]1CC[C@H](C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC1 ZINC000436188014 851295932 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C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000732391460 862254874 /nfs/dbraw/zinc/25/48/74/862254874.db2.gz ILLZYZKOJOXUDB-MRVPVSSYSA-N -1 3 388.729 3.643 20 0 GHADHM COc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c([O-])c1 ZINC000111210325 851560044 /nfs/dbraw/zinc/56/00/44/851560044.db2.gz IUNVEIPRMKCTLO-UHFFFAOYSA-N -1 3 375.852 3.532 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000911104619 851574888 /nfs/dbraw/zinc/57/48/88/851574888.db2.gz YOWYWCRHQIEZSD-GOSISDBHSA-N -1 3 386.517 3.958 20 0 GHADHM CCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000911164803 851605989 /nfs/dbraw/zinc/60/59/89/851605989.db2.gz AJLWTNRZGQPPSI-QGZVFWFLSA-N -1 3 386.879 3.775 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccsc1 ZINC000911190628 851613583 /nfs/dbraw/zinc/61/35/83/851613583.db2.gz HWYOSPUQBVMQRI-GOSISDBHSA-N -1 3 399.516 3.669 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000111324851 851625809 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C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488854676 851828872 /nfs/dbraw/zinc/82/88/72/851828872.db2.gz OIODIZLQDMUCOT-SMDDNHRTSA-N -1 3 383.407 3.718 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(OC[C@H]4CCCCO4)CC3)c2c1 ZINC000570283538 851879660 /nfs/dbraw/zinc/87/96/60/851879660.db2.gz WHGRFNGIOUPWHL-QGZVFWFLSA-N -1 3 384.476 3.796 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488944281 851879902 /nfs/dbraw/zinc/87/99/02/851879902.db2.gz SJWDDDPHCNFPCM-BBRMVZONSA-N -1 3 382.888 3.593 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@H]3[C@@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000519569412 851938746 /nfs/dbraw/zinc/93/87/46/851938746.db2.gz SRLCAAREVVIRRZ-PKOBYXMFSA-N -1 3 382.464 3.579 20 0 GHADHM O=C(Nc1ccc2ccc(Cl)cc2n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436482390 851952373 /nfs/dbraw/zinc/95/23/73/851952373.db2.gz AAGJFQXVMRYVQV-QGZVFWFLSA-N -1 3 395.846 3.837 20 0 GHADHM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc(CCc3ccccc3)ccc1[O-])CCC2 ZINC000436509731 851996399 /nfs/dbraw/zinc/99/63/99/851996399.db2.gz FYNZDODDSNRRIR-HXUWFJFHSA-N -1 3 389.499 3.990 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(Cc2ccc(F)cc2)CC1 ZINC000438128603 852051858 /nfs/dbraw/zinc/05/18/58/852051858.db2.gz HKDPWQHFFOZCPE-UHFFFAOYSA-N -1 3 378.241 3.933 20 0 GHADHM COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(C)c(C)c2[O-])cc1OC ZINC000436559966 852063269 /nfs/dbraw/zinc/06/32/69/852063269.db2.gz BFJNHLXTNRWIPS-UHFFFAOYSA-N -1 3 395.459 3.832 20 0 GHADHM CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000436570207 852073686 /nfs/dbraw/zinc/07/36/86/852073686.db2.gz NTLDSKYDLQLMOS-KRWDZBQOSA-N -1 3 388.464 3.809 20 0 GHADHM COc1ccccc1CN(CCO)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436593313 852080574 /nfs/dbraw/zinc/08/05/74/852080574.db2.gz DFBPWCXNKXDIDC-UHFFFAOYSA-N -1 3 393.439 3.828 20 0 GHADHM Cn1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1=O ZINC000436604551 852104730 /nfs/dbraw/zinc/10/47/30/852104730.db2.gz JRGSJMIMSXZGMJ-UHFFFAOYSA-N -1 3 377.425 3.620 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436609086 852109448 /nfs/dbraw/zinc/10/94/48/852109448.db2.gz RHXOHIBFIBQAJZ-AWEZNQCLSA-N -1 3 378.394 3.930 20 0 GHADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000436613571 852113544 /nfs/dbraw/zinc/11/35/44/852113544.db2.gz WGQOYDASZWNPIA-AWEZNQCLSA-N -1 3 397.431 3.984 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ncccc2[O-])c2ccccc2)cc1 ZINC000517565589 852120601 /nfs/dbraw/zinc/12/06/01/852120601.db2.gz GMSHYZGJAGVGQS-SFHVURJKSA-N -1 3 375.428 3.596 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000522671562 862329443 /nfs/dbraw/zinc/32/94/43/862329443.db2.gz SQKHTBAPCSKVST-MRXNPFEDSA-N -1 3 377.872 3.837 20 0 GHADHM CCCCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CC1 ZINC000436633144 852128881 /nfs/dbraw/zinc/12/88/81/852128881.db2.gz FVCMUCAJWXLAIU-UHFFFAOYSA-N -1 3 387.505 3.743 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436634761 852129164 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GHADHM C[C@H](c1cccc(Br)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436678194 852187052 /nfs/dbraw/zinc/18/70/52/852187052.db2.gz GFXPCPZFXCMZII-CQSZACIVSA-N -1 3 389.293 3.674 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c([O-])c1 ZINC000436685699 852194585 /nfs/dbraw/zinc/19/45/85/852194585.db2.gz BSAYJLAHGDWAJY-UHFFFAOYSA-N -1 3 391.349 3.742 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000436691178 852202779 /nfs/dbraw/zinc/20/27/79/852202779.db2.gz SDGXIVAEVHFPCM-KRWDZBQOSA-N -1 3 397.475 3.607 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436694877 852208027 /nfs/dbraw/zinc/20/80/27/852208027.db2.gz DEYGTAZXOWCAFB-UHFFFAOYSA-N -1 3 393.896 3.709 20 0 GHADHM CCCCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1OC ZINC000436694986 852208266 /nfs/dbraw/zinc/20/82/66/852208266.db2.gz CJABCVFWLPDLPP-UHFFFAOYSA-N -1 3 398.503 3.538 20 0 GHADHM CSc1ccc(C)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436695667 852209147 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O=C(Nc1ccnc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436849563 852416296 /nfs/dbraw/zinc/41/62/96/852416296.db2.gz SYNABTLZFJSMMD-FQEVSTJZSA-N -1 3 387.439 3.698 20 0 GHADHM CC(=O)Nc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426829623 852417207 /nfs/dbraw/zinc/41/72/07/852417207.db2.gz QKCRYVDQOMROEZ-QGZVFWFLSA-N -1 3 391.265 3.713 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-c3ccncc3)c(C)c2)c([O-])c1 ZINC000436860500 852424253 /nfs/dbraw/zinc/42/42/53/852424253.db2.gz ORTRIPCLOZOXCY-UHFFFAOYSA-N -1 3 389.455 3.830 20 0 GHADHM NC(=O)Nc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1F ZINC000436886209 852457137 /nfs/dbraw/zinc/45/71/37/852457137.db2.gz REFOCZBNXUDGNI-UHFFFAOYSA-N -1 3 379.391 3.865 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(CCc2cccc(Cl)c2Cl)CC1 ZINC000436907697 852473619 /nfs/dbraw/zinc/47/36/19/852473619.db2.gz GUWTWIDKRZRILF-UHFFFAOYSA-N -1 3 379.287 3.700 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1F ZINC000031873925 852493459 /nfs/dbraw/zinc/49/34/59/852493459.db2.gz BURXRPKRKHOYRN-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM CCN(CC1CCC1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436920272 852500728 /nfs/dbraw/zinc/50/07/28/852500728.db2.gz OTBDLXIBVDOGAS-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436944722 852526876 /nfs/dbraw/zinc/52/68/76/852526876.db2.gz NQUZGKJNSUNTDO-UHFFFAOYSA-N -1 3 396.487 3.606 20 0 GHADHM Cc1ccc(S[C@@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436945362 852527025 /nfs/dbraw/zinc/52/70/25/852527025.db2.gz PPJSCIPDYCTLCH-INIZCTEOSA-N -1 3 398.528 3.602 20 0 GHADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436960543 852532786 /nfs/dbraw/zinc/53/27/86/852532786.db2.gz RBHFVXMXMXXSIY-UHFFFAOYSA-N -1 3 387.867 3.598 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000436958597 852550165 /nfs/dbraw/zinc/55/01/65/852550165.db2.gz BNBLTZGBZSDYBW-HNAYVOBHSA-N -1 3 384.451 3.569 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)c([O-])c1 ZINC000436972297 852553655 /nfs/dbraw/zinc/55/36/55/852553655.db2.gz NVCAXKYYOVZQRN-IRXDYDNUSA-N -1 3 390.524 3.728 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)c([O-])c1 ZINC000436973281 852556034 /nfs/dbraw/zinc/55/60/34/852556034.db2.gz SOHIYDZNXXNKOZ-UHFFFAOYSA-N -1 3 392.402 3.560 20 0 GHADHM CCN(CCC1CC1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436978982 852565987 /nfs/dbraw/zinc/56/59/87/852565987.db2.gz IUFUCPUFLBAWTF-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM CS(=O)(=O)Nc1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436995946 852587857 /nfs/dbraw/zinc/58/78/57/852587857.db2.gz JSDGLJIBSGUKDX-UHFFFAOYSA-N -1 3 381.413 3.634 20 0 GHADHM COC(=O)[C@@H](C)N(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCC1 ZINC000436998363 852590179 /nfs/dbraw/zinc/59/01/79/852590179.db2.gz BLVSVESXJXKAKM-MRXNPFEDSA-N -1 3 381.472 3.734 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C[C@H](C)O1 ZINC000489884760 852623643 /nfs/dbraw/zinc/62/36/43/852623643.db2.gz QHSZWEPEFAZTER-ZSBIGDGJSA-N -1 3 399.406 3.596 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133052715 862377519 /nfs/dbraw/zinc/37/75/19/862377519.db2.gz GRMKHWXHBUAZQZ-SECBINFHSA-N -1 3 386.192 3.517 20 0 GHADHM O=C(Nc1ccccc1C(F)F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000425692114 852651820 /nfs/dbraw/zinc/65/18/20/852651820.db2.gz LKAVWUJAFTVOBX-UHFFFAOYSA-N -1 3 389.402 3.756 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccc(F)cc1 ZINC000473854972 852744091 /nfs/dbraw/zinc/74/40/91/852744091.db2.gz PPSWFMWQOIWQEX-LBPRGKRZSA-N -1 3 396.242 3.938 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000490130771 852783948 /nfs/dbraw/zinc/78/39/48/852783948.db2.gz ONAYTICPRVYRNZ-UHFFFAOYSA-N -1 3 386.402 3.593 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)c(Cl)c2)cc1C ZINC000518093920 852831772 /nfs/dbraw/zinc/83/17/72/852831772.db2.gz YKAYQSVNAHMRDN-UHFFFAOYSA-N -1 3 399.896 3.873 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2oc3ccc(Br)cc3c2C)[n-]n1 ZINC000180933997 862414496 /nfs/dbraw/zinc/41/44/96/862414496.db2.gz NMEKSCIXYJPYTE-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2oc3ccc(Br)cc3c2C)n[n-]1 ZINC000180933997 862414503 /nfs/dbraw/zinc/41/45/03/862414503.db2.gz NMEKSCIXYJPYTE-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507553714 853021163 /nfs/dbraw/zinc/02/11/63/853021163.db2.gz SPCPJEWHXVCVAE-UHFFFAOYSA-N -1 3 396.821 3.880 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c1-c1ccccc1 ZINC000490446934 853032764 /nfs/dbraw/zinc/03/27/64/853032764.db2.gz HUTHPIJJLYQPBB-INIZCTEOSA-N -1 3 397.500 3.803 20 0 GHADHM Cc1nc(C)c(CC(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000427499046 853171010 /nfs/dbraw/zinc/17/10/10/853171010.db2.gz ZSOPCSIJXCUKJQ-UHFFFAOYSA-N -1 3 379.382 3.804 20 0 GHADHM CC(C)C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000913298964 853210145 /nfs/dbraw/zinc/21/01/45/853210145.db2.gz VEOIYWPZYLPUSB-MRXNPFEDSA-N -1 3 381.432 3.730 20 0 GHADHM CC(C)C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000913298964 853210149 /nfs/dbraw/zinc/21/01/49/853210149.db2.gz VEOIYWPZYLPUSB-MRXNPFEDSA-N -1 3 381.432 3.730 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302274 853225571 /nfs/dbraw/zinc/22/55/71/853225571.db2.gz TYLNQQHAOCNNTD-OAHLLOKOSA-N -1 3 381.432 3.652 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302274 853225582 /nfs/dbraw/zinc/22/55/82/853225582.db2.gz TYLNQQHAOCNNTD-OAHLLOKOSA-N -1 3 381.432 3.652 20 0 GHADHM COc1cc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000490867720 853315641 /nfs/dbraw/zinc/31/56/41/853315641.db2.gz GFSMSIKLTGKRGV-AWEZNQCLSA-N -1 3 383.366 3.875 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)[nH][n-]1 ZINC000439159857 853350385 /nfs/dbraw/zinc/35/03/85/853350385.db2.gz JUDWIAJTIWZKFH-IBGZPJMESA-N -1 3 397.862 3.720 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000623851008 862468667 /nfs/dbraw/zinc/46/86/67/862468667.db2.gz YJXBVRSJAHOEPW-CVEARBPZSA-N -1 3 386.492 3.880 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC000913510426 853420882 /nfs/dbraw/zinc/42/08/82/853420882.db2.gz DDESOEVPFOHSPX-QFIPXVFZSA-N -1 3 379.435 3.751 20 0 GHADHM COc1cc(C(=O)N2CC(OCc3cccc4ccccc43)C2)cc(OC)c1[O-] ZINC000491095761 853449932 /nfs/dbraw/zinc/44/99/32/853449932.db2.gz XGPVEOIHYYFOED-UHFFFAOYSA-N -1 3 393.439 3.604 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(Cl)c(F)c2)ccc1F ZINC001127711776 862467387 /nfs/dbraw/zinc/46/73/87/862467387.db2.gz QXDBURFQKHXZKR-UHFFFAOYSA-N -1 3 389.807 3.524 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(Br)ccc1F ZINC000506119882 853481136 /nfs/dbraw/zinc/48/11/36/853481136.db2.gz BEQFPSWXLKLRFD-UHFFFAOYSA-N -1 3 396.260 3.620 20 0 GHADHM CCOc1ccc(-c2nc([N-]C(=O)c3cc(C(=O)OC)on3)sc2C)cc1 ZINC000439294004 853521008 /nfs/dbraw/zinc/52/10/08/853521008.db2.gz FJVAUQIGMYWEEV-UHFFFAOYSA-N -1 3 387.417 3.544 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1F ZINC000519847342 853541049 /nfs/dbraw/zinc/54/10/49/853541049.db2.gz FULAORYLHMXORF-MOPGFXCFSA-N -1 3 379.453 3.617 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1F ZINC000519847380 853541125 /nfs/dbraw/zinc/54/11/25/853541125.db2.gz FULAORYLHMXORF-OALUTQOASA-N -1 3 379.453 3.617 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2CCC(C)(C)CC2)cc1OC ZINC000437855022 853606465 /nfs/dbraw/zinc/60/64/65/853606465.db2.gz WKSVMHFQLINELM-UHFFFAOYSA-N -1 3 383.514 3.547 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1c1ccccc1 ZINC000571407330 853870973 /nfs/dbraw/zinc/87/09/73/853870973.db2.gz BRVMRLSUVWZHLE-UONOGXRCSA-N -1 3 378.241 3.888 20 0 GHADHM COc1cc(C(=O)/C=C/c2cc(O)c(OC)cc2Br)ccc1[O-] ZINC000028913236 854009604 /nfs/dbraw/zinc/00/96/04/854009604.db2.gz NESPRWFNIDTJKE-HWKANZROSA-N -1 3 379.206 3.774 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000055663502 854050344 /nfs/dbraw/zinc/05/03/44/854050344.db2.gz ZDVBJAFHKRYVHI-UHFFFAOYSA-N -1 3 382.844 3.715 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(c2ccc3c(c2)OCO3)CC1 ZINC001127107284 854163902 /nfs/dbraw/zinc/16/39/02/854163902.db2.gz LENGXIGEYNNGKG-UHFFFAOYSA-N -1 3 395.789 3.975 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccnc(Cl)c1F ZINC000164716112 854257449 /nfs/dbraw/zinc/25/74/49/854257449.db2.gz FXAAYJPBAHSQQM-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000760705633 854440240 /nfs/dbraw/zinc/44/02/40/854440240.db2.gz LLUKLKPGGVTAQF-INIZCTEOSA-N -1 3 397.258 3.511 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1Cl ZINC000481976723 862570423 /nfs/dbraw/zinc/57/04/23/862570423.db2.gz WCZALOSLTQDLJY-UHFFFAOYSA-N -1 3 377.796 3.793 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCOCC1 ZINC000330420026 854669817 /nfs/dbraw/zinc/66/98/17/854669817.db2.gz QQAKKCUOYJNQFJ-CYBMUJFWSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]Cc1csc(C(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000625616866 862609231 /nfs/dbraw/zinc/60/92/31/862609231.db2.gz VJRICZPJINTAPG-UHFFFAOYSA-N -1 3 390.330 3.659 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000520448868 854881978 /nfs/dbraw/zinc/88/19/78/854881978.db2.gz VTSVKJXSAWIFTM-TZMCWYRMSA-N -1 3 377.872 3.694 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3C)CCOCC2)c([O-])c1 ZINC000536338779 854948438 /nfs/dbraw/zinc/94/84/38/854948438.db2.gz NLDFORXEOQBXHF-UHFFFAOYSA-N -1 3 383.444 3.564 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1Cl ZINC000589628223 855078890 /nfs/dbraw/zinc/07/88/90/855078890.db2.gz ATYKVSHMHOTOAY-UHFFFAOYSA-N -1 3 388.272 3.633 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000589689231 855108120 /nfs/dbraw/zinc/10/81/20/855108120.db2.gz QTLHOOJBGHMPNQ-FQEVSTJZSA-N -1 3 380.488 3.783 20 0 GHADHM CCC[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000589694135 855110612 /nfs/dbraw/zinc/11/06/12/855110612.db2.gz NQYYWVSDJWHEDW-KRWDZBQOSA-N -1 3 394.393 3.798 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c([O-])c1 ZINC000189591507 855140904 /nfs/dbraw/zinc/14/09/04/855140904.db2.gz WAYJLBXWGVZHFY-AWEZNQCLSA-N -1 3 378.432 3.603 20 0 GHADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000106006821 855166428 /nfs/dbraw/zinc/16/64/28/855166428.db2.gz FJNQOYACLKYTOK-CQSZACIVSA-N -1 3 388.489 3.795 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)o1 ZINC000589887816 855176705 /nfs/dbraw/zinc/17/67/05/855176705.db2.gz KZMVEWCGWHVVMC-UHFFFAOYSA-N -1 3 378.675 3.525 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C4CC4)CC3)nc(=O)c2c1C ZINC000590006695 855222999 /nfs/dbraw/zinc/22/29/99/855222999.db2.gz OGVLILHLNJCCRY-LBPRGKRZSA-N -1 3 389.521 3.653 20 0 GHADHM Cc1cccc([C@@H]2CCN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C2)c1 ZINC000482044983 862656896 /nfs/dbraw/zinc/65/68/96/862656896.db2.gz GRDWBSJXFRYAKC-OAHLLOKOSA-N -1 3 399.292 3.849 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c([O-])c1 ZINC000190033802 855261332 /nfs/dbraw/zinc/26/13/32/855261332.db2.gz RLFMDMUIERCXQI-UHFFFAOYSA-N -1 3 398.503 3.680 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000130883249 855346129 /nfs/dbraw/zinc/34/61/29/855346129.db2.gz WESGQNGJRLLMOL-ZJUUUORDSA-N -1 3 399.818 3.526 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1 ZINC000055592185 855355071 /nfs/dbraw/zinc/35/50/71/855355071.db2.gz DBNFAKJXLHJYET-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cscn1 ZINC000572956704 855466092 /nfs/dbraw/zinc/46/60/92/855466092.db2.gz HSGIBYFJKSFUES-CYBMUJFWSA-N -1 3 395.506 3.762 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4)s3)nn2)cc1 ZINC000484705327 862683999 /nfs/dbraw/zinc/68/39/99/862683999.db2.gz KNVMKSKZOFCTBM-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccc(OC)c(F)c4)C3)nc2)n1 ZINC000624738539 855496184 /nfs/dbraw/zinc/49/61/84/855496184.db2.gz TUWMMWPJSJOFGX-MRXNPFEDSA-N -1 3 394.450 3.948 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000056409807 855541300 /nfs/dbraw/zinc/54/13/00/855541300.db2.gz CEGQADVNCVSNTE-LLVKDONJSA-N -1 3 384.910 3.831 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1CC(c2ccccc2)C1 ZINC000482076401 862694595 /nfs/dbraw/zinc/69/45/95/862694595.db2.gz DPJHKOMHPRBAQN-UHFFFAOYSA-N -1 3 385.265 3.586 20 0 GHADHM COc1ccc(F)cc1C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000605022091 862713986 /nfs/dbraw/zinc/71/39/86/862713986.db2.gz ONWWMMBVJJNUHJ-UHFFFAOYSA-N -1 3 375.787 3.561 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000614622555 855802802 /nfs/dbraw/zinc/80/28/02/855802802.db2.gz URSLSWAUAVZLKW-JOYOIKCWSA-N -1 3 388.258 3.783 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1cccc(Cl)c1F ZINC000614637734 855932246 /nfs/dbraw/zinc/93/22/46/855932246.db2.gz QMXYDSLYRAKWJF-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c(F)c1 ZINC000591387236 855941728 /nfs/dbraw/zinc/94/17/28/855941728.db2.gz DWQQBRUGRJEEME-LLVKDONJSA-N -1 3 383.395 3.918 20 0 GHADHM Cc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000591368059 855952941 /nfs/dbraw/zinc/95/29/41/855952941.db2.gz PBRIELXGZRNPAJ-UHFFFAOYSA-N -1 3 386.395 3.567 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2ccc(-n3cccc3)c(F)c2)[nH][n-]1 ZINC000591449174 855994387 /nfs/dbraw/zinc/99/43/87/855994387.db2.gz OJJPPSCFSRSUOW-UHFFFAOYSA-N -1 3 376.391 3.689 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCc2ccccc2C1 ZINC000028322932 855995279 /nfs/dbraw/zinc/99/52/79/855995279.db2.gz XTLFMMBEJVEUOO-CYBMUJFWSA-N -1 3 399.343 3.719 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC34CCC4)c2)cc1 ZINC000674253970 856037838 /nfs/dbraw/zinc/03/78/38/856037838.db2.gz NZCBMWNIMNKMQM-UHFFFAOYSA-N -1 3 384.501 3.873 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1F ZINC000733123308 862750182 /nfs/dbraw/zinc/75/01/82/862750182.db2.gz YMCJQASPCRXSEC-UHFFFAOYSA-N -1 3 393.436 3.592 20 0 GHADHM CC1=C[C@@H](C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000573309666 856070610 /nfs/dbraw/zinc/07/06/10/856070610.db2.gz DSSASBUGOAJMGA-IIBYNOLFSA-N -1 3 378.472 3.678 20 0 GHADHM CC1=C[C@@H](C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000573309665 856070740 /nfs/dbraw/zinc/07/07/40/856070740.db2.gz DSSASBUGOAJMGA-IERDGZPVSA-N -1 3 378.472 3.678 20 0 GHADHM CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000536462299 856141743 /nfs/dbraw/zinc/14/17/43/856141743.db2.gz CVAPSXGCOQLYKU-LBPRGKRZSA-N -1 3 397.493 3.834 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000436759770 856248149 /nfs/dbraw/zinc/24/81/49/856248149.db2.gz GDDVRAKZTQJFHB-UHFFFAOYSA-N -1 3 379.334 3.945 20 0 GHADHM CCOc1ccccc1OCCN[C@H](C(=O)[O-])c1ccccc1Br ZINC000905400926 856302592 /nfs/dbraw/zinc/30/25/92/856302592.db2.gz OROMKKJOEAXFMU-KRWDZBQOSA-N -1 3 394.265 3.642 20 0 GHADHM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436789045 856331170 /nfs/dbraw/zinc/33/11/70/856331170.db2.gz BSVIPBRQVSDIFO-LLVKDONJSA-N -1 3 381.350 3.843 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3CCC(=O)N3)c2)c(C)c1C ZINC000573664271 856380107 /nfs/dbraw/zinc/38/01/07/856380107.db2.gz KTURDAHJHTWDPM-IBGZPJMESA-N -1 3 386.517 3.981 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C(C)(C)C)C[C@@H]3C)c(=O)c2c(OC)c1 ZINC000627301359 856381999 /nfs/dbraw/zinc/38/19/99/856381999.db2.gz COWRISRLDKTHPX-KBPBESRZSA-N -1 3 386.492 3.832 20 0 GHADHM COc1cccc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c1[O-] ZINC000195577623 856495474 /nfs/dbraw/zinc/49/54/74/856495474.db2.gz LSXONMYPZOBCPP-UHFFFAOYSA-N -1 3 394.250 3.867 20 0 GHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1)c1cccs1 ZINC000472263578 856559633 /nfs/dbraw/zinc/55/96/33/856559633.db2.gz JFAMCACHPHBKFA-MRXNPFEDSA-N -1 3 381.453 3.721 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1OCC ZINC000592002631 856565685 /nfs/dbraw/zinc/56/56/85/856565685.db2.gz RFCBSFZWYCYXEB-ZDUSSCGKSA-N -1 3 377.462 3.608 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1snnc1CC ZINC000485502806 856672270 /nfs/dbraw/zinc/67/22/70/856672270.db2.gz OVAULGBVMBLOTM-UHFFFAOYSA-N -1 3 379.385 3.610 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000427809528 856753595 /nfs/dbraw/zinc/75/35/95/856753595.db2.gz VAGWMUYERGUFQO-IAGOWNOFSA-N -1 3 385.407 3.520 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(C)c1F ZINC000181319442 862834807 /nfs/dbraw/zinc/83/48/07/862834807.db2.gz WWLKIHFQXUBLKX-UHFFFAOYSA-N -1 3 382.432 3.683 20 0 GHADHM COc1cc(Br)ccc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436941806 856815471 /nfs/dbraw/zinc/81/54/71/856815471.db2.gz FUMAAJZPPMRJCO-UHFFFAOYSA-N -1 3 391.177 3.609 20 0 GHADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509236366 856854432 /nfs/dbraw/zinc/85/44/32/856854432.db2.gz DIGNXAIGFGMHHH-SNVBAGLBSA-N -1 3 398.750 3.568 20 0 GHADHM Cc1cc(Br)c(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)s1 ZINC000906137846 856862191 /nfs/dbraw/zinc/86/21/91/856862191.db2.gz ODXQEDWJIGZOTO-UHFFFAOYSA-N -1 3 379.239 3.909 20 0 GHADHM O=c1cc(-c2nc(-c3cc(Br)ccc3C(F)(F)F)no2)nc[n-]1 ZINC001212361078 856863983 /nfs/dbraw/zinc/86/39/83/856863983.db2.gz WJYUYAUUHFSYLE-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM CCCCc1nc(NC(=O)c2nc(C3CC3)n3ccccc23)c(C(=O)OCC)[n-]1 ZINC000485662858 856922162 /nfs/dbraw/zinc/92/21/62/856922162.db2.gz FNULIDWEZVJUFU-UHFFFAOYSA-N -1 3 395.463 3.706 20 0 GHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000542936543 856961361 /nfs/dbraw/zinc/96/13/61/856961361.db2.gz SHBJACODEIMFBB-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ccccc2F)n1 ZINC000063782139 857056505 /nfs/dbraw/zinc/05/65/05/857056505.db2.gz VFXFDHLVVFFVLF-UHFFFAOYSA-N -1 3 379.420 3.841 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2s1 ZINC000120972192 857129924 /nfs/dbraw/zinc/12/99/24/857129924.db2.gz NBSQEWIJKZBJDR-UHFFFAOYSA-N -1 3 387.436 3.519 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2c(F)cc(Br)cc2C1 ZINC000675274456 857131239 /nfs/dbraw/zinc/13/12/39/857131239.db2.gz YDGMEFVFRVTCHB-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000057121239 857148182 /nfs/dbraw/zinc/14/81/82/857148182.db2.gz QFUHBGWXXTZLKT-OAHLLOKOSA-N -1 3 390.505 3.641 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112633527 857170088 /nfs/dbraw/zinc/17/00/88/857170088.db2.gz LDNJCSGYUIRVFX-UHFFFAOYSA-N -1 3 375.222 3.546 20 0 GHADHM O=S1(=O)[N-]C(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)=Nc2ccccc21 ZINC000485879477 857181653 /nfs/dbraw/zinc/18/16/53/857181653.db2.gz FMYRLRANAQQBAX-GGPKGHCWSA-N -1 3 395.528 3.667 20 0 GHADHM O=c1[n-]c(CN2CCC(n3cc(Cl)cn3)CC2)nc2c3ccccc3oc21 ZINC000574067239 857208139 /nfs/dbraw/zinc/20/81/39/857208139.db2.gz HLLMLWMMQASRNS-UHFFFAOYSA-N -1 3 383.839 3.769 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000181447507 862884031 /nfs/dbraw/zinc/88/40/31/862884031.db2.gz OBKRILHLFIXPFG-UHFFFAOYSA-N -1 3 380.286 3.951 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cccc2c1OCO2 ZINC000509214604 862893513 /nfs/dbraw/zinc/89/35/13/862893513.db2.gz YWIYNHSXEZZTIO-UHFFFAOYSA-N -1 3 379.743 3.888 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(SC(=O)N(C)C)cc1)c2=O ZINC000733361841 862891247 /nfs/dbraw/zinc/89/12/47/862891247.db2.gz CQZXYCHJPSWVSS-UHFFFAOYSA-N -1 3 397.456 3.563 20 0 GHADHM CCOc1cc(-c2noc(-c3ccc([O-])cn3)n2)c(Br)cc1OC ZINC001212558252 857375738 /nfs/dbraw/zinc/37/57/38/857375738.db2.gz YTAAFKWUCSHBQZ-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2c(C)cccc2Cl)cc1OC ZINC000486056730 857389947 /nfs/dbraw/zinc/38/99/47/857389947.db2.gz XUKHUDLJCMKDFO-UHFFFAOYSA-N -1 3 396.896 3.600 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1c(F)cccc1F ZINC000482296995 862906218 /nfs/dbraw/zinc/90/62/18/862906218.db2.gz ORKKAAIWLCANAC-VIFPVBQESA-N -1 3 385.208 3.993 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccn(-c4ccccc4)n3)nc(=O)c2c1C ZINC000058730937 857467470 /nfs/dbraw/zinc/46/74/70/857467470.db2.gz GMTTUSVNPKSVTQ-GFCCVEGCSA-N -1 3 394.456 3.705 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000675550638 857507938 /nfs/dbraw/zinc/50/79/38/857507938.db2.gz LDTTYNGSFKRARD-QGZVFWFLSA-N -1 3 390.848 3.548 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cnn1CC(C)C ZINC000499571704 857524772 /nfs/dbraw/zinc/52/47/72/857524772.db2.gz URGDXUZDNLHXLR-UHFFFAOYSA-N -1 3 380.452 3.963 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccnc(OC3CCC3)c2)[nH][n-]1 ZINC000486198827 857534044 /nfs/dbraw/zinc/53/40/44/857534044.db2.gz VQMBLVRUROMKOT-UHFFFAOYSA-N -1 3 398.850 3.739 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(-c2ccccc2F)s1 ZINC000063096758 857590244 /nfs/dbraw/zinc/59/02/44/857590244.db2.gz ZCCSBDJFYQBPEH-UHFFFAOYSA-N -1 3 379.420 3.841 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000063164283 857593881 /nfs/dbraw/zinc/59/38/81/857593881.db2.gz RKUMZFQBPDHXLJ-MRXNPFEDSA-N -1 3 397.475 3.559 20 0 GHADHM O=C(CCCn1cnc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000676055686 857720132 /nfs/dbraw/zinc/72/01/32/857720132.db2.gz KASWHOLVFDIHOQ-UHFFFAOYSA-N -1 3 388.265 3.601 20 0 GHADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000064952272 857756712 /nfs/dbraw/zinc/75/67/12/857756712.db2.gz QZHYVKIVZZMKBX-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM COC1CCN(CCNC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000676166386 857766625 /nfs/dbraw/zinc/76/66/25/857766625.db2.gz YJCGQKBITTUFML-UHFFFAOYSA-N -1 3 388.895 3.553 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccsc1 ZINC000521234895 857775172 /nfs/dbraw/zinc/77/51/72/857775172.db2.gz XZVBDRGVRWCUHT-ZDUSSCGKSA-N -1 3 381.571 3.524 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccccn1 ZINC001212482778 857786267 /nfs/dbraw/zinc/78/62/67/857786267.db2.gz JSMAJHDWIAIEGW-JTQLQIEISA-N -1 3 389.702 3.580 20 0 GHADHM CC(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)cc1 ZINC000065769947 857847086 /nfs/dbraw/zinc/84/70/86/857847086.db2.gz GXVDBKMTRYOSGU-UHFFFAOYSA-N -1 3 377.444 3.890 20 0 GHADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000804176063 857952393 /nfs/dbraw/zinc/95/23/93/857952393.db2.gz ZQOYVSJNILOYLM-UHFFFAOYSA-N -1 3 391.349 3.549 20 0 GHADHM Cc1noc(C)c1C(C)(C)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908181101 857982463 /nfs/dbraw/zinc/98/24/63/857982463.db2.gz FLXCGQYTAOXXCA-UHFFFAOYSA-N -1 3 388.212 3.592 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000114493384 858063852 /nfs/dbraw/zinc/06/38/52/858063852.db2.gz NMJOCECJJRKJGU-OAHLLOKOSA-N -1 3 397.500 3.589 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1cnccc1C(F)(F)F ZINC000442733264 858080516 /nfs/dbraw/zinc/08/05/16/858080516.db2.gz BSMIOZHJXFZBKD-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1Cc1ccccc1)c1cnccc1C(F)(F)F ZINC000442739882 858090078 /nfs/dbraw/zinc/09/00/78/858090078.db2.gz GBHBIFYTPVDQMM-ZBFHGGJFSA-N -1 3 384.423 3.790 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1C ZINC000066588336 858200354 /nfs/dbraw/zinc/20/03/54/858200354.db2.gz NWHAKNMKCSVMHH-UHFFFAOYSA-N -1 3 381.519 3.684 20 0 GHADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000128652535 862995766 /nfs/dbraw/zinc/99/57/66/862995766.db2.gz NOQZOPQXAYAOSZ-IBGZPJMESA-N -1 3 387.443 3.571 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000594587688 858231824 /nfs/dbraw/zinc/23/18/24/858231824.db2.gz IMBZOFXOLXPDQL-UHFFFAOYSA-N -1 3 397.504 3.919 20 0 GHADHM CC[C@H](C)n1c(SCC(=O)Nc2ncccc2[O-])nnc1-c1ccccc1 ZINC000543094689 858315527 /nfs/dbraw/zinc/31/55/27/858315527.db2.gz CCKJFWXURQIDHL-ZDUSSCGKSA-N -1 3 383.477 3.748 20 0 GHADHM O=C(Nc1cccc(COc2ccc(F)cc2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000574780627 858315937 /nfs/dbraw/zinc/31/59/37/858315937.db2.gz QDZWQCHDAYQJOX-UHFFFAOYSA-N -1 3 390.370 3.541 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)ccc1F ZINC000521909821 858436575 /nfs/dbraw/zinc/43/65/75/858436575.db2.gz SFLUKCROUSCFLF-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM CCn1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c(C(F)(F)F)n1 ZINC000281453049 863033792 /nfs/dbraw/zinc/03/37/92/863033792.db2.gz GCWMKGIFJUFNJE-UHFFFAOYSA-N -1 3 381.383 3.616 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)cc21 ZINC000191228705 858674889 /nfs/dbraw/zinc/67/48/89/858674889.db2.gz RPFBUIKYEYBZAV-UHFFFAOYSA-N -1 3 378.812 3.890 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccccc3Cl)n2)[n-]n1 ZINC000183291002 858713200 /nfs/dbraw/zinc/71/32/00/858713200.db2.gz SUQZTVKKIFMBDR-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccccc3Cl)n2)n[n-]1 ZINC000183291002 858713202 /nfs/dbraw/zinc/71/32/02/858713202.db2.gz SUQZTVKKIFMBDR-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCCOc1ccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)cc1 ZINC000901543998 858722809 /nfs/dbraw/zinc/72/28/09/858722809.db2.gz LZZAAUYJENGILC-UHFFFAOYSA-N -1 3 394.422 3.540 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC001129258505 858800266 /nfs/dbraw/zinc/80/02/66/858800266.db2.gz LKAQQOZOWNICHO-MRXNPFEDSA-N -1 3 376.403 3.501 20 0 GHADHM CCO[C@H](C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000141790896 858823013 /nfs/dbraw/zinc/82/30/13/858823013.db2.gz IPNJOTFLZMLOGW-WBMJQRKESA-N -1 3 386.473 3.983 20 0 GHADHM O=S(=O)(Cc1coc(-c2ccc(Br)cc2)n1)c1cccc([O-])c1 ZINC000183986798 858853584 /nfs/dbraw/zinc/85/35/84/858853584.db2.gz IXPQYUIEBYLIHR-UHFFFAOYSA-N -1 3 394.246 3.784 20 0 GHADHM CC(C)(C)CN(CC(=O)[O-])Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000665350510 858974600 /nfs/dbraw/zinc/97/46/00/858974600.db2.gz WCGITCCUEIVVAX-UHFFFAOYSA-N -1 3 380.286 3.772 20 0 GHADHM COCCN(Cc1cccnc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094101412 859025665 /nfs/dbraw/zinc/02/56/65/859025665.db2.gz AWHVKKWKGBKUFS-UHFFFAOYSA-N -1 3 376.456 3.667 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1cc(F)ccc1Cl ZINC000185119889 859046581 /nfs/dbraw/zinc/04/65/81/859046581.db2.gz CDSQNTISBALVAW-UHFFFAOYSA-N -1 3 379.844 3.642 20 0 GHADHM CC(C)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000483003721 859052617 /nfs/dbraw/zinc/05/26/17/859052617.db2.gz IZTUWKHKRWIJEM-UHFFFAOYSA-N -1 3 395.307 3.577 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCc3ccccc3Cl)[n-]c(=O)c21 ZINC000428286199 859070382 /nfs/dbraw/zinc/07/03/82/859070382.db2.gz LILPMVSZYMJFDU-UHFFFAOYSA-N -1 3 389.864 3.814 20 0 GHADHM CCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000193262003 859149506 /nfs/dbraw/zinc/14/95/06/859149506.db2.gz DCZHMSCFAXJEFP-UHFFFAOYSA-N -1 3 382.894 3.630 20 0 GHADHM CS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(-c4ccccc4)cc3)csc2[n-]1 ZINC000113459266 859153079 /nfs/dbraw/zinc/15/30/79/859153079.db2.gz GQRNXIAMXOSBAS-UHFFFAOYSA-N -1 3 396.493 3.863 20 0 GHADHM O=c1[n-]nc(SCc2cc(Cl)nc(Cl)c2)n1CCc1ccccc1 ZINC000108697174 859196458 /nfs/dbraw/zinc/19/64/58/859196458.db2.gz ZJMXFOYUTGSCQL-UHFFFAOYSA-N -1 3 381.288 3.808 20 0 GHADHM O=C(NCCc1csc2ccccc12)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000194142668 859238980 /nfs/dbraw/zinc/23/89/80/859238980.db2.gz NNUMXZPLTPTFSQ-GOSISDBHSA-N -1 3 394.496 3.570 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000483253429 859248173 /nfs/dbraw/zinc/24/81/73/859248173.db2.gz AFWRWCVXMXWYMF-JOCHJYFZSA-N -1 3 396.450 3.608 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(OC)nc3)ccc2C)cc1 ZINC000509384810 859253009 /nfs/dbraw/zinc/25/30/09/859253009.db2.gz GYNXYEHJLFKLJA-UHFFFAOYSA-N -1 3 384.457 3.875 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000033795217 859303370 /nfs/dbraw/zinc/30/33/70/859303370.db2.gz WASCHSSQKCIQFK-HNNXBMFYSA-N -1 3 385.316 3.546 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483544971 859440400 /nfs/dbraw/zinc/44/04/00/859440400.db2.gz QJOOPJHQUALLBT-ZJUUUORDSA-N -1 3 389.809 3.811 20 0 GHADHM Cc1sc([N-]C(=O)c2nnn(C(C)(C)C)n2)c(C(=O)c2ccc(C)cc2)c1C ZINC001127765726 859452137 /nfs/dbraw/zinc/45/21/37/859452137.db2.gz INVHSCATZNQOIZ-UHFFFAOYSA-N -1 3 397.504 3.898 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483563980 859452265 /nfs/dbraw/zinc/45/22/65/859452265.db2.gz VTWUWSWXODAZLU-QMMMGPOBSA-N -1 3 395.307 3.745 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000016471198 859526049 /nfs/dbraw/zinc/52/60/49/859526049.db2.gz SAVFDSMYBBHUBF-UHFFFAOYSA-N -1 3 393.443 3.759 20 0 GHADHM CC(C)(CC(F)(F)F)C(=O)Nc1cc(I)ccc1[O-] ZINC000597442767 859552850 /nfs/dbraw/zinc/55/28/50/859552850.db2.gz ZLVOLMQVSDNWJF-UHFFFAOYSA-N -1 3 387.139 3.914 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000654543251 859591635 /nfs/dbraw/zinc/59/16/35/859591635.db2.gz UUSLBTGQLOYPDL-UHFFFAOYSA-N -1 3 398.347 3.900 20 0 GHADHM C[C@H](NC(=O)c1cc2cc(F)ccc2s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502925 859625271 /nfs/dbraw/zinc/62/52/71/859625271.db2.gz GURNABFPGBAWBD-QWRGUYRKSA-N -1 3 387.436 3.534 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508482 859629363 /nfs/dbraw/zinc/62/93/63/859629363.db2.gz KFASCEOVXKEUHZ-KBPBESRZSA-N -1 3 395.415 3.566 20 0 GHADHM CCC(CC)(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673507245 859633957 /nfs/dbraw/zinc/63/39/57/859633957.db2.gz JXOYLLJNQGOLER-HZPDHXFCSA-N -1 3 383.492 3.625 20 0 GHADHM CCOC(=O)c1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1Cl ZINC000611290597 859684647 /nfs/dbraw/zinc/68/46/47/859684647.db2.gz ZFRJEYBTXQGEOE-UHFFFAOYSA-N -1 3 375.734 3.643 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)n1 ZINC000602173043 859823804 /nfs/dbraw/zinc/82/38/04/859823804.db2.gz UTCDBHCLBLHTQY-MRXNPFEDSA-N -1 3 391.471 3.976 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000673546041 859906245 /nfs/dbraw/zinc/90/62/45/859906245.db2.gz SIZYNANCDUYKFS-UHFFFAOYSA-N -1 3 389.377 3.758 20 0 GHADHM CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000194787698 859907579 /nfs/dbraw/zinc/90/75/79/859907579.db2.gz NZWIZJFDWSTTMZ-INIZCTEOSA-N -1 3 376.859 3.921 20 0 GHADHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000012647581 859916933 /nfs/dbraw/zinc/91/69/33/859916933.db2.gz IFHJRXSXFYEAQM-UHFFFAOYSA-N -1 3 394.452 3.799 20 0 GHADHM O=C(NCc1ccccc1COCc1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC000436515590 859950062 /nfs/dbraw/zinc/95/00/62/859950062.db2.gz SIWDMKNIAXODRM-UHFFFAOYSA-N -1 3 391.423 3.768 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000474412838 860000294 /nfs/dbraw/zinc/00/02/94/860000294.db2.gz LQAQZSWNZBITFE-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000474412838 860000300 /nfs/dbraw/zinc/00/03/00/860000300.db2.gz LQAQZSWNZBITFE-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](c4cccc(F)c4)C3)cc(=O)oc2cc1[O-] ZINC000727435481 860076686 /nfs/dbraw/zinc/07/66/86/860076686.db2.gz PSMIEUKBOANJOA-NRFANRHFSA-N -1 3 383.419 3.774 20 0 GHADHM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525926321 860134708 /nfs/dbraw/zinc/13/47/08/860134708.db2.gz UQMDFSPUWBDKAL-KRWDZBQOSA-N -1 3 383.469 3.528 20 0 GHADHM CN1C(=O)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccc(Cl)cc1 ZINC000525928537 860135620 /nfs/dbraw/zinc/13/56/20/860135620.db2.gz XDOUVHFKZIFGPZ-GHTZIAJQSA-N -1 3 394.858 3.901 20 0 GHADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3ncccc3NC(C)=O)on2)c1 ZINC001127896304 860168260 /nfs/dbraw/zinc/16/82/60/860168260.db2.gz MTPKNHNOGVLKHA-UHFFFAOYSA-N -1 3 386.795 3.609 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602744435 860232908 /nfs/dbraw/zinc/23/29/08/860232908.db2.gz PSWKNHNXWBRIHW-BXUZGUMPSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1ccc(C2CCN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CC2)cn1 ZINC000904230797 860257655 /nfs/dbraw/zinc/25/76/55/860257655.db2.gz IKMJMRXHKDWGCV-UHFFFAOYSA-N -1 3 383.492 3.664 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](c2ccco2)C1 ZINC000602769198 860275117 /nfs/dbraw/zinc/27/51/17/860275117.db2.gz XXEUGAFIHNRSLC-LLVKDONJSA-N -1 3 387.233 3.513 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCC[C@@H](C(F)(F)F)O3)nc2)n1 ZINC000896033574 860275228 /nfs/dbraw/zinc/27/52/28/860275228.db2.gz LFKQLKYNLUNAKR-KGLIPLIRSA-N -1 3 382.386 3.719 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000428919276 860350976 /nfs/dbraw/zinc/35/09/76/860350976.db2.gz FHXIYKHDTKHTCL-MLGOLLRUSA-N -1 3 381.398 3.725 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000191879147 860450475 /nfs/dbraw/zinc/45/04/75/860450475.db2.gz WKQKZKUAGOITHU-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603041769 860453459 /nfs/dbraw/zinc/45/34/59/860453459.db2.gz QWPWMOZPSZMWRE-SNVBAGLBSA-N -1 3 384.855 3.660 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2cccc(F)c2)cc1OC ZINC000116177859 860479963 /nfs/dbraw/zinc/47/99/63/860479963.db2.gz IQVWNYBSTPSKKP-CYBMUJFWSA-N -1 3 394.468 3.728 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(OC(C)(C)C)cn2)c(C(=O)OCC)[n-]1 ZINC001127964532 860534572 /nfs/dbraw/zinc/53/45/72/860534572.db2.gz GXLZUMXNPQKPJB-UHFFFAOYSA-N -1 3 388.468 3.754 20 0 GHADHM O=C([N-][C@@H](c1ccccn1)C1CC1)C(F)(F)c1ncccc1Br ZINC000928608820 860561064 /nfs/dbraw/zinc/56/10/64/860561064.db2.gz VQFUZMMOZZAUOL-CYBMUJFWSA-N -1 3 382.208 3.598 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1Cc2ccc(Br)cc2C1 ZINC000765748879 860563446 /nfs/dbraw/zinc/56/34/46/860563446.db2.gz TWSVHMFIFXAKRP-UHFFFAOYSA-N -1 3 376.254 3.533 20 0 GHADHM COc1cc(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000474668475 860599203 /nfs/dbraw/zinc/59/92/03/860599203.db2.gz BUUPNBKTANOBPA-MOPGFXCFSA-N -1 3 385.460 3.523 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)ccc1OC(C)C ZINC000026949924 860604448 /nfs/dbraw/zinc/60/44/48/860604448.db2.gz OHNQTEINJABYPR-AWEZNQCLSA-N -1 3 380.444 3.815 20 0 GHADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000474674757 860610919 /nfs/dbraw/zinc/61/09/19/860610919.db2.gz BKCJOBSWOOGOIW-LEWJYISDSA-N -1 3 376.456 3.642 20 0 GHADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]2CCCC[C@H]12 ZINC000598910873 860669111 /nfs/dbraw/zinc/66/91/11/860669111.db2.gz XUOSVJWPJUQVHB-OAGGEKHMSA-N -1 3 385.382 3.605 20 0 GHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)c1 ZINC000603449252 860729663 /nfs/dbraw/zinc/72/96/63/860729663.db2.gz IBJZCTWPGTWPKP-UHFFFAOYSA-N -1 3 398.268 3.730 20 0 GHADHM O=C(CCC1CCCCC1)[N-]OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000730100740 860870091 /nfs/dbraw/zinc/87/00/91/860870091.db2.gz VBTQZZXPQYOZJU-UHFFFAOYSA-N -1 3 388.386 3.932 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2ccccc2)[nH]c1=O 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399.457 3.528 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCc2ccccc2C1 ZINC000605502007 863080684 /nfs/dbraw/zinc/08/06/84/863080684.db2.gz IAUHOCGWHAISDT-GFCCVEGCSA-N -1 3 375.266 3.540 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1 ZINC000605613940 863196697 /nfs/dbraw/zinc/19/66/97/863196697.db2.gz SUBMERBDMODJEP-UHFFFAOYSA-N -1 3 377.506 3.836 20 0 GHADHM COCc1ncsc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000792740077 881638767 /nfs/dbraw/zinc/63/87/67/881638767.db2.gz BMLVCMQQJPIYRG-MRVPVSSYSA-N -1 3 379.463 3.535 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(N(C)C)c(F)c3)nc(=O)c2c1C ZINC000062344499 863276075 /nfs/dbraw/zinc/27/60/75/863276075.db2.gz NRBZUEMAEYWHIU-JTQLQIEISA-N -1 3 389.452 3.725 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000282695325 863281693 /nfs/dbraw/zinc/28/16/93/863281693.db2.gz JHUFVAJXVVROQW-UHFFFAOYSA-N -1 3 397.410 3.647 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000160090424 863310345 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C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000183280985 863527477 /nfs/dbraw/zinc/52/74/77/863527477.db2.gz JBCWPKRUCMFCOL-GFCCVEGCSA-N -1 3 394.880 3.559 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000444193160 863652710 /nfs/dbraw/zinc/65/27/10/863652710.db2.gz KAMFAWZTYJLDDZ-HZPDHXFCSA-N -1 3 392.496 3.544 20 0 GHADHM CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)cc1C ZINC000444288360 863825496 /nfs/dbraw/zinc/82/54/96/863825496.db2.gz LOJDJFAWGJSZHT-CQSZACIVSA-N -1 3 377.444 3.773 20 0 GHADHM CC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000158698916 863919862 /nfs/dbraw/zinc/91/98/62/863919862.db2.gz RCIBMBFGPXSJEZ-UHFFFAOYSA-N -1 3 396.216 3.574 20 0 GHADHM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000103420676 863977517 /nfs/dbraw/zinc/97/75/17/863977517.db2.gz GISNWBZWKVUPNW-UHFFFAOYSA-N -1 3 384.509 3.881 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1nc2ccccc2s1 ZINC000734140781 864029943 /nfs/dbraw/zinc/02/99/43/864029943.db2.gz JBWFNYJRLGUSJT-NSHDSACASA-N -1 3 376.384 3.958 20 0 GHADHM COCCSc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000103497808 864039193 /nfs/dbraw/zinc/03/91/93/864039193.db2.gz JSWXPAYJSFZLBD-LBPRGKRZSA-N -1 3 387.473 3.743 20 0 GHADHM CC(C)CN(Cc1cnn(C)c1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000909570154 864104365 /nfs/dbraw/zinc/10/43/65/864104365.db2.gz BSOUASRMPJWDDH-UHFFFAOYSA-N -1 3 393.513 3.522 20 0 GHADHM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000898541638 864130586 /nfs/dbraw/zinc/13/05/86/864130586.db2.gz NSSMNUFPNJGWFI-IFXJQAMLSA-N -1 3 387.407 3.548 20 0 GHADHM O=C(CC1CCCC1)N1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621477455 864213867 /nfs/dbraw/zinc/21/38/67/864213867.db2.gz YLRZFFUVLNIGAE-UHFFFAOYSA-N -1 3 398.425 3.666 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000063186188 864305019 /nfs/dbraw/zinc/30/50/19/864305019.db2.gz XWDPCTXVJLOWKR-LBPRGKRZSA-N -1 3 391.420 3.706 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000120786783 881753823 /nfs/dbraw/zinc/75/38/23/881753823.db2.gz DYRASJATENUAPH-CABCVRRESA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000120786783 881753842 /nfs/dbraw/zinc/75/38/42/881753842.db2.gz DYRASJATENUAPH-CABCVRRESA-N -1 3 387.365 3.552 20 0 GHADHM FC(F)(F)c1n[n-]c(CNc2nc(-c3ccccc3C(F)(F)F)cs2)n1 ZINC000480310370 864456642 /nfs/dbraw/zinc/45/66/42/864456642.db2.gz NKZYAXKLHMRPPA-UHFFFAOYSA-N -1 3 393.316 4.000 20 0 GHADHM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000897101045 864511472 /nfs/dbraw/zinc/51/14/72/864511472.db2.gz XVIRINSAJMRBGS-YJYMSZOUSA-N -1 3 398.409 3.704 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000163967615 864581838 /nfs/dbraw/zinc/58/18/38/864581838.db2.gz HRPBQVPYZMFPNT-UHFFFAOYSA-N -1 3 396.896 3.818 20 0 GHADHM CCN1C(=O)CCc2cc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)ccc21 ZINC000621953368 864628565 /nfs/dbraw/zinc/62/85/65/864628565.db2.gz LFLVDDPEMDECJD-UHFFFAOYSA-N -1 3 378.350 3.962 20 0 GHADHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000607685116 864640056 /nfs/dbraw/zinc/64/00/56/864640056.db2.gz MHECCVDTLFYNOY-CXAGYDPISA-N -1 3 397.272 3.652 20 0 GHADHM Cc1cccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1[O-] ZINC000104894429 864693587 /nfs/dbraw/zinc/69/35/87/864693587.db2.gz IXWGDFBJOGOVJL-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000554726664 864775299 /nfs/dbraw/zinc/77/52/99/864775299.db2.gz WINIMURWRZISFU-UHFFFAOYSA-N -1 3 387.505 3.713 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000105008728 864784447 /nfs/dbraw/zinc/78/44/47/864784447.db2.gz GFVJGBUHZCGVGF-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000121263597 864848451 /nfs/dbraw/zinc/84/84/51/864848451.db2.gz CHPAPFOFXRIHPA-UHFFFAOYSA-N -1 3 388.489 3.797 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)c3ccccc3C(C)C)nc(=O)c2c1C ZINC000554747868 864850026 /nfs/dbraw/zinc/85/00/26/864850026.db2.gz ZAOJALYODAQJKF-UHFFFAOYSA-N -1 3 385.489 3.839 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1C2CCCC1CCC2 ZINC000607934022 864872396 /nfs/dbraw/zinc/87/23/96/864872396.db2.gz OKYBLFWUVPSGDW-UHFFFAOYSA-N -1 3 391.468 3.502 20 0 GHADHM O=C([N-]c1cc(F)ccc1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000132931163 881814658 /nfs/dbraw/zinc/81/46/58/881814658.db2.gz IYXHXWWYOSIVOY-UHFFFAOYSA-N -1 3 386.255 3.956 20 0 GHADHM Cc1ccc([C@H](NCc2nc(C)ccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000608067927 864959038 /nfs/dbraw/zinc/95/90/38/864959038.db2.gz MCOOCZFRJWOAOZ-QFIPXVFZSA-N -1 3 396.512 3.687 20 0 GHADHM CC(C)c1cccc(N(C)C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735927856 865053995 /nfs/dbraw/zinc/05/39/95/865053995.db2.gz DJDKDEJVYDAMRE-HXUWFJFHSA-N -1 3 390.491 3.622 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000184967668 865081960 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GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000736679332 865264284 /nfs/dbraw/zinc/26/42/84/865264284.db2.gz ROCKZIAOHDMGRO-UHFFFAOYSA-N -1 3 381.383 3.691 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000736679332 865264298 /nfs/dbraw/zinc/26/42/98/865264298.db2.gz ROCKZIAOHDMGRO-UHFFFAOYSA-N -1 3 381.383 3.691 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3CC=CCC3)c2)c1 ZINC000736710452 865267251 /nfs/dbraw/zinc/26/72/51/865267251.db2.gz CLSJVOWEOLYPPV-OAHLLOKOSA-N -1 3 396.443 3.500 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000554970593 865273067 /nfs/dbraw/zinc/27/30/67/865273067.db2.gz MXZSUSQJCBKDBP-VIFPVBQESA-N -1 3 393.408 3.593 20 0 GHADHM CC(C)(C)N=c1[n-]nc([C@@H]2CCCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCO1 ZINC000622762857 865290036 /nfs/dbraw/zinc/29/00/36/865290036.db2.gz DAZCGKCDZWZAMF-BRWVUGGUSA-N -1 3 378.561 3.788 20 0 GHADHM CC(C)Cc1ccc([C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C(C)C)cc1 ZINC000608420388 865317133 /nfs/dbraw/zinc/31/71/33/865317133.db2.gz SZJHWNYSJWHGIC-QFIPXVFZSA-N -1 3 382.504 3.834 20 0 GHADHM CSCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000737064543 865356641 /nfs/dbraw/zinc/35/66/41/865356641.db2.gz XNLLBTAPTGGMFJ-LBPRGKRZSA-N -1 3 399.944 3.547 20 0 GHADHM COc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737066383 865356730 /nfs/dbraw/zinc/35/67/30/865356730.db2.gz NOSGJIPOISVMDU-UHFFFAOYSA-N -1 3 385.855 3.832 20 0 GHADHM COc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737066383 865356748 /nfs/dbraw/zinc/35/67/48/865356748.db2.gz NOSGJIPOISVMDU-UHFFFAOYSA-N -1 3 385.855 3.832 20 0 GHADHM CCc1ccc(N2CCN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)CC2)cc1 ZINC000301481024 865384517 /nfs/dbraw/zinc/38/45/17/865384517.db2.gz WKLDPDXOPBXZHM-UHFFFAOYSA-N -1 3 389.503 3.696 20 0 GHADHM Cc1nc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cs1 ZINC000737471862 865398928 /nfs/dbraw/zinc/39/89/28/865398928.db2.gz VMWIRJPEUMYOPE-ZDUSSCGKSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1nc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cs1 ZINC000737471862 865398944 /nfs/dbraw/zinc/39/89/44/865398944.db2.gz VMWIRJPEUMYOPE-ZDUSSCGKSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1nc(-c2ccc(NCCCc3nc4ccccc4n3C)nc2)[n-]c(=O)c1C ZINC000301591023 865443243 /nfs/dbraw/zinc/44/32/43/865443243.db2.gz TZOGTMQEHIZQGO-UHFFFAOYSA-N -1 3 388.475 3.792 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4ncccc4Cl)C3)nc2)n1 ZINC000301615833 865457731 /nfs/dbraw/zinc/45/77/31/865457731.db2.gz JIPIHYSQGMCZLX-HNNXBMFYSA-N -1 3 396.882 3.546 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@](C)(c4ccccc4)C3)nc2)n1 ZINC000301615571 865458071 /nfs/dbraw/zinc/45/80/71/865458071.db2.gz BMHLHFNJWNEGJX-JOCHJYFZSA-N -1 3 376.460 3.559 20 0 GHADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)c2ccccn2)cc1 ZINC000738381473 865535450 /nfs/dbraw/zinc/53/54/50/865535450.db2.gz QCIOWQZQXKDMEP-KRWDZBQOSA-N -1 3 387.892 3.701 20 0 GHADHM C[C@H](OCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000738354011 865545142 /nfs/dbraw/zinc/54/51/42/865545142.db2.gz XLJOXWHUTHETMR-LBPRGKRZSA-N -1 3 389.304 3.835 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CC=CCC1 ZINC000172393694 865570230 /nfs/dbraw/zinc/57/02/30/865570230.db2.gz WNYQIBNJYGHQHT-OAHLLOKOSA-N -1 3 388.464 3.773 20 0 GHADHM Cc1oc([C@@H](C)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1C(=O)[O-] ZINC000516656533 865582222 /nfs/dbraw/zinc/58/22/22/865582222.db2.gz HVSCAZMYMZSVQA-PWSUYJOCSA-N -1 3 385.386 3.979 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1CC2(C1)CCCCC2 ZINC000622887445 865680230 /nfs/dbraw/zinc/68/02/30/865680230.db2.gz VZRFRZCHAYNNCD-UHFFFAOYSA-N -1 3 394.235 3.929 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCCC2(CC2)C1 ZINC000622887086 865681124 /nfs/dbraw/zinc/68/11/24/865681124.db2.gz LTKDRTFFQCCTNG-SECBINFHSA-N -1 3 380.208 3.539 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)c(Br)c1 ZINC000481024113 865697242 /nfs/dbraw/zinc/69/72/42/865697242.db2.gz NDADUAGFZHCHJE-UHFFFAOYSA-N -1 3 398.570 3.561 20 0 GHADHM CC(C)n1ncc2cc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)cnc21 ZINC000622892311 865706380 /nfs/dbraw/zinc/70/63/80/865706380.db2.gz KQSVOYZDVXHNRI-UHFFFAOYSA-N -1 3 380.839 3.730 20 0 GHADHM CN(C)[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1 ZINC000444372708 865712479 /nfs/dbraw/zinc/71/24/79/865712479.db2.gz JJJZAANBKLDJGV-OAQYLSRUSA-N -1 3 395.503 3.696 20 0 GHADHM CCOC(=O)C(=Cc1cnc(F)c(C)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000899341663 865790089 /nfs/dbraw/zinc/79/00/89/865790089.db2.gz GOZYEAKCNZQIEV-QPEQYQDCSA-N -1 3 387.436 3.960 20 0 GHADHM Cc1c(Cl)ccc2ccc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)nc12 ZINC000302655015 865867041 /nfs/dbraw/zinc/86/70/41/865867041.db2.gz NVRNHNRIUQPZPE-UHFFFAOYSA-N -1 3 381.863 3.865 20 0 GHADHM Cc1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)sc1C(C)(C)C ZINC000899397878 865944431 /nfs/dbraw/zinc/94/44/31/865944431.db2.gz WOAAHNQUHKQQST-RUZDIDTESA-N -1 3 393.456 3.712 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CCc3cc(Br)ccc3F)n[n-]2)o1 ZINC000534065639 866080545 /nfs/dbraw/zinc/08/05/45/866080545.db2.gz VJMMKCKORBTTFY-UHFFFAOYSA-N -1 3 393.216 3.846 20 0 GHADHM COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CC1=O ZINC000552780025 866251448 /nfs/dbraw/zinc/25/14/48/866251448.db2.gz SMNWHEFFUUZVNJ-SNVBAGLBSA-N -1 3 395.242 3.699 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Cl ZINC000552832054 866297761 /nfs/dbraw/zinc/29/77/61/866297761.db2.gz NWGNGRPQZGQOCX-KRWDZBQOSA-N -1 3 388.899 3.526 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)sc1Cc1ccc(C)cc1 ZINC000121198730 881961946 /nfs/dbraw/zinc/96/19/46/881961946.db2.gz KCPMPENOXFIPJJ-UHFFFAOYSA-N -1 3 396.516 3.622 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c2ccccc12 ZINC000614791787 866402144 /nfs/dbraw/zinc/40/21/44/866402144.db2.gz IPSIHTIJXWIBPF-UHFFFAOYSA-N -1 3 379.441 3.835 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000552924574 866501875 /nfs/dbraw/zinc/50/18/75/866501875.db2.gz RDNMJEAUPBOQHJ-UHFFFAOYSA-N -1 3 375.837 3.771 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)cc1 ZINC000478707548 866512096 /nfs/dbraw/zinc/51/20/96/866512096.db2.gz YAPSZTCCBAKTCJ-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000620206408 866513589 /nfs/dbraw/zinc/51/35/89/866513589.db2.gz NNBCPGBVNSMFAV-OAHLLOKOSA-N -1 3 383.448 3.593 20 0 GHADHM CCOc1ccccc1[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])NC(C)=O ZINC000153518217 866558513 /nfs/dbraw/zinc/55/85/13/866558513.db2.gz AVQISOUDWVDBQF-INIZCTEOSA-N -1 3 376.840 3.650 20 0 GHADHM CCN(C(=O)CO[N-]C(=O)Cc1ccc(C)cc1)c1cccc2ccccc21 ZINC000741752727 866774339 /nfs/dbraw/zinc/77/43/39/866774339.db2.gz CHXSQXRPXYUVGN-UHFFFAOYSA-N -1 3 376.456 3.792 20 0 GHADHM COC(=O)C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000741792907 866797935 /nfs/dbraw/zinc/79/79/35/866797935.db2.gz KNHQLUTUNIBHEL-CYBMUJFWSA-N -1 3 389.411 3.749 20 0 GHADHM O=C(CCCOc1cccc(Br)c1)NCc1ccc([O-])c(F)c1 ZINC000133165628 882021990 /nfs/dbraw/zinc/02/19/90/882021990.db2.gz FZQKARFGVLXAEJ-UHFFFAOYSA-N -1 3 382.229 3.769 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1 ZINC000444628205 866987106 /nfs/dbraw/zinc/98/71/06/866987106.db2.gz CFDCJYQNDMTRNN-UHFFFAOYSA-N -1 3 376.460 3.830 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000553220777 866999798 /nfs/dbraw/zinc/99/97/98/866999798.db2.gz XEAOYMRKFCDRHM-QGZVFWFLSA-N -1 3 387.451 3.933 20 0 GHADHM CSc1nc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)n[n-]1 ZINC000523312230 867049038 /nfs/dbraw/zinc/04/90/38/867049038.db2.gz FJGZWWXEFINODY-UHFFFAOYSA-N -1 3 386.662 3.676 20 0 GHADHM CCSc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000523333264 867090272 /nfs/dbraw/zinc/09/02/72/867090272.db2.gz JYLMVXQEZQYNMH-UHFFFAOYSA-N -1 3 384.501 3.539 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1CC(C)(C)C1 ZINC000620745699 867198161 /nfs/dbraw/zinc/19/81/61/867198161.db2.gz TYFODWCUEIXMAO-UHFFFAOYSA-N -1 3 390.480 3.853 20 0 GHADHM COc1cc(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)cc(OC)c1[O-] ZINC000456835109 867225071 /nfs/dbraw/zinc/22/50/71/867225071.db2.gz YWVLIFRGYFWXCY-UHFFFAOYSA-N -1 3 391.414 3.783 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000742345341 867243259 /nfs/dbraw/zinc/24/32/59/867243259.db2.gz QBYLZXDDAXSTJB-CYBMUJFWSA-N -1 3 395.695 3.708 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000479154857 867253496 /nfs/dbraw/zinc/25/34/96/867253496.db2.gz KNTHPWFDDTWDQX-MRXNPFEDSA-N -1 3 389.370 3.784 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)o1 ZINC000190010001 882067539 /nfs/dbraw/zinc/06/75/39/882067539.db2.gz HENLCVLETIJPKX-HNNXBMFYSA-N -1 3 391.411 3.613 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000742537723 867350390 /nfs/dbraw/zinc/35/03/90/867350390.db2.gz OFVOMYGPAIISCZ-LBPRGKRZSA-N -1 3 399.285 3.883 20 0 GHADHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)cc1[O-])CC1CC1 ZINC000742537779 867357077 /nfs/dbraw/zinc/35/70/77/867357077.db2.gz PMURRAWSPJHWER-UHFFFAOYSA-N -1 3 399.285 3.740 20 0 GHADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000154489740 867427656 /nfs/dbraw/zinc/42/76/56/867427656.db2.gz PAVWAJGZTZFSDP-UHFFFAOYSA-N -1 3 396.418 3.679 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000245555962 867491175 /nfs/dbraw/zinc/49/11/75/867491175.db2.gz RVIBRSLSPAJDNN-LERXQTSPSA-N -1 3 395.830 3.595 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)c([O-])c1 ZINC000534828539 867556297 /nfs/dbraw/zinc/55/62/97/867556297.db2.gz DJCYXDCDUTYPKD-UHFFFAOYSA-N -1 3 392.411 3.795 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000553548107 867635724 /nfs/dbraw/zinc/63/57/24/867635724.db2.gz VTGUCNNNLFAZFZ-KRWDZBQOSA-N -1 3 394.443 3.601 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000128280606 867761318 /nfs/dbraw/zinc/76/13/18/867761318.db2.gz ILBJYUJMIWSXQD-ZDUSSCGKSA-N -1 3 387.779 3.526 20 0 GHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000479441888 867763900 /nfs/dbraw/zinc/76/39/00/867763900.db2.gz SDYCJLVHPLDCNS-BXUZGUMPSA-N -1 3 383.407 3.717 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cscc1Br ZINC000920429381 882121431 /nfs/dbraw/zinc/12/14/31/882121431.db2.gz WGACEJNUWVIDKU-UHFFFAOYSA-N -1 3 398.326 3.884 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(SCCO)n3)c(F)c2)cc1C ZINC000155280038 867850626 /nfs/dbraw/zinc/85/06/26/867850626.db2.gz MJNGLAGOYCAPAV-UHFFFAOYSA-N -1 3 386.452 3.564 20 0 GHADHM COc1cc(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000155591682 867965097 /nfs/dbraw/zinc/96/50/97/867965097.db2.gz UUDRNKNIYPBVGJ-LLVKDONJSA-N -1 3 383.366 3.789 20 0 GHADHM CC(C)Cn1cc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000743265467 868038693 /nfs/dbraw/zinc/03/86/93/868038693.db2.gz NSXHEAALNCDUEG-BQYQJAHWSA-N -1 3 384.299 3.714 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)n1 ZINC000155885955 868165222 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GHADHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000524149494 868656969 /nfs/dbraw/zinc/65/69/69/868656969.db2.gz UDNVJAUKOYQFJE-VXGBXAGGSA-N -1 3 398.878 3.900 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(Nc4ncccn4)c3)c2)n1 ZINC000744216598 868671037 /nfs/dbraw/zinc/67/10/37/868671037.db2.gz KWOPSRLJKVIGLA-UHFFFAOYSA-N -1 3 399.410 3.910 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(C)o1 ZINC000479930393 868743685 /nfs/dbraw/zinc/74/36/85/868743685.db2.gz WDUPCGPBSKWPSW-ZDUSSCGKSA-N -1 3 395.374 3.802 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCSc2ccccc21 ZINC000648433012 882222176 /nfs/dbraw/zinc/22/21/76/882222176.db2.gz PIFFMIZLPDXNFH-SNVBAGLBSA-N -1 3 375.803 3.739 20 0 GHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(C)(C)C)cc3)ccc21 ZINC000157886901 868793740 /nfs/dbraw/zinc/79/37/40/868793740.db2.gz IZSXPTQTPGWIAQ-UHFFFAOYSA-N -1 3 388.489 3.574 20 0 GHADHM COc1cc([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)ncn1 ZINC000157993133 868824042 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GHADHM Cc1c2cc(C)ccc2sc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000446192935 869498251 /nfs/dbraw/zinc/49/82/51/869498251.db2.gz REFXVKZJCVPFQT-UHFFFAOYSA-N -1 3 394.496 3.822 20 0 GHADHM Cc1cc(=NC(=O)c2cc3c(C)nn(C)c3s2)[n-]n1-c1ccccc1Cl ZINC000539652333 869525084 /nfs/dbraw/zinc/52/50/84/869525084.db2.gz UPWDUNOEODQDCS-UHFFFAOYSA-N -1 3 385.880 3.765 20 0 GHADHM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1c(Cl)cccc1Cl ZINC000524873988 869704064 /nfs/dbraw/zinc/70/40/64/869704064.db2.gz XSYMBKCCNGDWHG-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(Br)s2)cc1[O-] ZINC000745650930 869719800 /nfs/dbraw/zinc/71/98/00/869719800.db2.gz ODYNFIAPXKSNEB-UHFFFAOYSA-N -1 3 386.223 3.752 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1[O-] ZINC000745654795 869723480 /nfs/dbraw/zinc/72/34/80/869723480.db2.gz XYKGCMDXIGMRAH-LBPRGKRZSA-N -1 3 397.387 3.847 20 0 GHADHM CC/C(=C\C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(Cl)c1 ZINC000745759860 869788331 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394.471 3.523 20 0 GHADHM Cc1c(Br)cnc(Cl)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192854816 870734769 /nfs/dbraw/zinc/73/47/69/870734769.db2.gz JQRPBJBEQNVZIO-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2cnccc2Cl)cc1C ZINC001192897361 870753798 /nfs/dbraw/zinc/75/37/98/870753798.db2.gz QQMKGLOJAJERKV-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000540209846 870772413 /nfs/dbraw/zinc/77/24/13/870772413.db2.gz RWNKTNLDOROTQL-UHFFFAOYSA-N -1 3 391.489 3.725 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)c(C)ccc1Cl ZINC000446962205 870774997 /nfs/dbraw/zinc/77/49/97/870774997.db2.gz IRMZNGMRNCRUSY-UHFFFAOYSA-N -1 3 387.860 3.922 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1cnccc1Cl ZINC001192925622 870790882 /nfs/dbraw/zinc/79/08/82/870790882.db2.gz UOBOOXZGHDSWLI-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](OCc2ccccc2)CC1)c1cnccc1Cl ZINC001192930487 870795452 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C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)c(Br)c1 ZINC000461905622 871209858 /nfs/dbraw/zinc/20/98/58/871209858.db2.gz UQHGUNMERCCDNQ-ZCFIWIBFSA-N -1 3 395.154 3.857 20 0 GHADHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(Br)c1 ZINC000461905622 871209882 /nfs/dbraw/zinc/20/98/82/871209882.db2.gz UQHGUNMERCCDNQ-ZCFIWIBFSA-N -1 3 395.154 3.857 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnc(NC(=O)c2ccc([O-])cc2C(F)(F)F)cn1 ZINC001193735290 871255308 /nfs/dbraw/zinc/25/53/08/871255308.db2.gz MREBUHSXRDPKAR-UHFFFAOYSA-N -1 3 398.341 3.800 20 0 GHADHM Cc1cnn(Cc2ccccn2)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193736231 871256433 /nfs/dbraw/zinc/25/64/33/871256433.db2.gz YGERUKGJHIFFIF-UHFFFAOYSA-N -1 3 376.338 3.612 20 0 GHADHM CC(C)(C)OC(=O)CC1CCN(C(=O)c2ccc([O-])cc2C(F)(F)F)CC1 ZINC001193746264 871287977 /nfs/dbraw/zinc/28/79/77/871287977.db2.gz RSVSPIHOVFBZMS-UHFFFAOYSA-N -1 3 387.398 3.995 20 0 GHADHM O=C(Nc1ccc(-c2cc(CO)on2)cc1)c1ccc([O-])cc1C(F)(F)F ZINC001193748132 871289202 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COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447274147 871340404 /nfs/dbraw/zinc/34/04/04/871340404.db2.gz LGUMBIMKRFCAFU-UHFFFAOYSA-N -1 3 375.377 3.673 20 0 GHADHM CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC001193859696 871359495 /nfs/dbraw/zinc/35/94/95/871359495.db2.gz NGJQQLBTMNIGNF-HXUWFJFHSA-N -1 3 393.867 3.563 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cccc2c1cnn2C(=O)OC(C)(C)C ZINC001193937376 871379926 /nfs/dbraw/zinc/37/99/26/871379926.db2.gz WEWHWOWXFZYZAZ-UHFFFAOYSA-N -1 3 383.404 3.791 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(=O)[nH]c(C(C)C)c2)[nH][n-]1 ZINC000540473919 871388301 /nfs/dbraw/zinc/38/83/01/871388301.db2.gz YIUOKABCDQAQAS-UHFFFAOYSA-N -1 3 386.839 3.637 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2cncc([O-])c2)cc1I ZINC001194088049 871497670 /nfs/dbraw/zinc/49/76/70/871497670.db2.gz JGIYEVAEFPAUDI-UHFFFAOYSA-N -1 3 396.228 3.942 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)CC(F)F ZINC001194233970 871543487 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CCc1[nH]nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)c1Br ZINC000447539264 871807899 /nfs/dbraw/zinc/80/78/99/871807899.db2.gz GJALOUCFNICVFB-UHFFFAOYSA-N -1 3 375.226 3.950 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1c(F)cccc1F ZINC001194597176 871823093 /nfs/dbraw/zinc/82/30/93/871823093.db2.gz FRLCLBSEXAHWPW-LBPRGKRZSA-N -1 3 380.338 3.808 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCO[C@@H](CC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000540723305 872003454 /nfs/dbraw/zinc/00/34/54/872003454.db2.gz KSSBVVQXSJQOMR-ROUUACIJSA-N -1 3 384.480 3.873 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)c(F)cc1F ZINC000763508425 872071329 /nfs/dbraw/zinc/07/13/29/872071329.db2.gz JTNNKYZQRGPJAZ-UHFFFAOYSA-N -1 3 389.807 3.822 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCCC3CCCC3)c2)[n-]1 ZINC000447679061 872084887 /nfs/dbraw/zinc/08/48/87/872084887.db2.gz MKBQDQTZQCFKOO-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCCC3CCCC3)c2)n[n-]1 ZINC000447679061 872084917 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GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Br)cnc1F ZINC001195276742 872301272 /nfs/dbraw/zinc/30/12/72/872301272.db2.gz VRZJWYUOKDWPJO-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1[C@H](C)C[C@H]1C ZINC000526932095 872331874 /nfs/dbraw/zinc/33/18/74/872331874.db2.gz FDZUVVCOIPYIAQ-ZIAGYGMSSA-N -1 3 376.453 3.558 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)c(C)cc1O ZINC001195378327 872376975 /nfs/dbraw/zinc/37/69/75/872376975.db2.gz ITMDWGRRMSRQAF-UHFFFAOYSA-N -1 3 377.462 3.586 20 0 GHADHM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(O)cc1C ZINC001195378203 872377827 /nfs/dbraw/zinc/37/78/27/872377827.db2.gz CRVIXENSIGDHAM-UHFFFAOYSA-N -1 3 383.853 3.504 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(Cl)c1)c1cc(Br)ccc1F ZINC001195457925 872402650 /nfs/dbraw/zinc/40/26/50/872402650.db2.gz IRWDWCOTTGJANY-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCOC(=O)NC(=S)[N-]c1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)no1 ZINC001195457627 872402708 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20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(-c4nc[nH]n4)c3)nc(=O)c2c1C ZINC000767812256 872868744 /nfs/dbraw/zinc/86/87/44/872868744.db2.gz RJOCZBNZNZHXLW-JTQLQIEISA-N -1 3 395.444 3.717 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)sc1Cl ZINC000191896041 882660021 /nfs/dbraw/zinc/66/00/21/882660021.db2.gz DFVZBNLBLJPAHU-SNVBAGLBSA-N -1 3 384.910 3.634 20 0 GHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)cc1 ZINC000182869482 872906932 /nfs/dbraw/zinc/90/69/32/872906932.db2.gz PCJDRGKTUOBWBK-SFHVURJKSA-N -1 3 390.418 3.843 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1F)C1CCC1)c1ccc(Br)cn1 ZINC001196182971 872937895 /nfs/dbraw/zinc/93/78/95/872937895.db2.gz TVCHUGOABWEXDW-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](OCc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001196197214 872940429 /nfs/dbraw/zinc/94/04/29/872940429.db2.gz JAFPSIWNCDUEEE-QAQDUYKDSA-N -1 3 380.897 3.541 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000151602081 872947983 /nfs/dbraw/zinc/94/79/83/872947983.db2.gz ZNPLJACNWWMSOK-ZIAGYGMSSA-N -1 3 389.452 3.660 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000122718065 882674214 /nfs/dbraw/zinc/67/42/14/882674214.db2.gz YSEQTYGNJQSJSY-UHFFFAOYSA-N -1 3 392.786 3.983 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc2cc(Cl)ccc2c1 ZINC001196436340 873085704 /nfs/dbraw/zinc/08/57/04/873085704.db2.gz HSSSNEMUHFPBAZ-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM O=C(Nc1ccc2c(c1)N=NC2)c1cc([O-])cc(I)c1 ZINC001196417863 873101320 /nfs/dbraw/zinc/10/13/20/873101320.db2.gz WOOKKUZFOBGMOG-UHFFFAOYSA-N -1 3 379.157 3.846 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)c(F)c1 ZINC000176452166 882694726 /nfs/dbraw/zinc/69/47/26/882694726.db2.gz BDQTZGCIMUWHIS-UHFFFAOYSA-N -1 3 382.233 3.530 20 0 GHADHM O=C(NCCNC(=O)c1ccccc1Sc1ccccc1)c1ccc([O-])cc1 ZINC000153108223 873198835 /nfs/dbraw/zinc/19/88/35/873198835.db2.gz AEZYMWBVBWQBPN-UHFFFAOYSA-N -1 3 392.480 3.703 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499021 873219953 /nfs/dbraw/zinc/21/99/53/873219953.db2.gz DEHSOZJXYBUASN-HNNXBMFYSA-N -1 3 388.880 3.641 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000122771765 882702443 /nfs/dbraw/zinc/70/24/43/882702443.db2.gz ZHWJDRKWSXJCMZ-UONOGXRCSA-N -1 3 398.406 3.819 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)n1 ZINC000768408014 873275032 /nfs/dbraw/zinc/27/50/32/873275032.db2.gz WYVMIZWOVRDXNQ-UHFFFAOYSA-N -1 3 397.435 3.822 20 0 GHADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448370668 873279533 /nfs/dbraw/zinc/27/95/33/873279533.db2.gz KCUYCUSCZVEFSO-OAQYLSRUSA-N -1 3 387.487 3.524 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2Cl)c1 ZINC001196785279 873358687 /nfs/dbraw/zinc/35/86/87/873358687.db2.gz SVXDCRKQHCZRGD-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)c1 ZINC001196778939 873385455 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GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NCCc1ccc(F)cc1 ZINC000786141071 876470459 /nfs/dbraw/zinc/47/04/59/876470459.db2.gz WGKOOZMTTDIIRG-LBPRGKRZSA-N -1 3 387.432 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)c2)n1 ZINC000173565059 876476650 /nfs/dbraw/zinc/47/66/50/876476650.db2.gz FIGPODBOSASIGE-FQEVSTJZSA-N -1 3 389.455 3.558 20 0 GHADHM COc1cccc([C@@H]2CN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2(C)C)c1 ZINC000529725890 876605685 /nfs/dbraw/zinc/60/56/85/876605685.db2.gz AFWQREUURMSHOB-IBGZPJMESA-N -1 3 382.460 3.625 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000173836473 876674800 /nfs/dbraw/zinc/67/48/00/876674800.db2.gz HPLMCDAUHIHEHF-JTQLQIEISA-N -1 3 386.367 3.870 20 0 GHADHM CCC(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)(C1CC1)C1CC1 ZINC000529796858 876678464 /nfs/dbraw/zinc/67/84/64/876678464.db2.gz XGONNVHVNXZVCJ-UHFFFAOYSA-N -1 3 389.293 3.989 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000174039394 876792725 /nfs/dbraw/zinc/79/27/25/876792725.db2.gz SROWXOJEAGOHEK-JTQLQIEISA-N -1 3 391.415 3.567 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCCOCC(F)(F)C(F)(F)F ZINC000786740395 876894430 /nfs/dbraw/zinc/89/44/30/876894430.db2.gz COEZTCIMRPSQNF-UHFFFAOYSA-N -1 3 377.309 3.644 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CCCCC3(F)F)[n-]c(=O)c12 ZINC000450820726 876956107 /nfs/dbraw/zinc/95/61/07/876956107.db2.gz OUYINMCPFAMUDG-JTQLQIEISA-N -1 3 383.420 3.743 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000786863096 876989306 /nfs/dbraw/zinc/98/93/06/876989306.db2.gz PPWZRMFFZKHFRR-RHSMWYFYSA-N -1 3 376.497 3.863 20 0 GHADHM Cc1cc(F)ccc1[C@H](C)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000850576394 877044322 /nfs/dbraw/zinc/04/43/22/877044322.db2.gz NMLFYROIVQFGEA-ZDUSSCGKSA-N -1 3 390.459 3.505 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000450970876 877146639 /nfs/dbraw/zinc/14/66/39/877146639.db2.gz OBEYAJFDYFIFDI-GOSISDBHSA-N -1 3 397.880 3.631 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)cc1 ZINC000450991291 877158568 /nfs/dbraw/zinc/15/85/68/877158568.db2.gz JTEGRZHTSKMJKQ-CQSZACIVSA-N -1 3 386.473 3.815 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)cc2)n1 ZINC000551456860 877222768 /nfs/dbraw/zinc/22/27/68/877222768.db2.gz VPJBUHIJXFGVFZ-UHFFFAOYSA-N -1 3 394.456 3.945 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787244700 877261390 /nfs/dbraw/zinc/26/13/90/877261390.db2.gz BAJUVFFIYTTXFF-ZBFHGGJFSA-N -1 3 394.487 3.616 20 0 GHADHM C[C@@H]1[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000787236630 877290392 /nfs/dbraw/zinc/29/03/92/877290392.db2.gz TYXIMEQNQPVPKX-LSDHHAIUSA-N -1 3 394.487 3.710 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)[n-]1 ZINC000477245776 877291399 /nfs/dbraw/zinc/29/13/99/877291399.db2.gz WVAAJMZXKQOTLS-UHFFFAOYSA-N -1 3 379.800 3.970 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000451065192 877319473 /nfs/dbraw/zinc/31/94/73/877319473.db2.gz YKGSCRNSDLUKJD-ZDUSSCGKSA-N -1 3 379.815 3.781 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787309291 877336356 /nfs/dbraw/zinc/33/63/56/877336356.db2.gz UJBLIKPHVAQIEB-INIZCTEOSA-N -1 3 394.487 3.760 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)c([O-])c1 ZINC000610139706 877424722 /nfs/dbraw/zinc/42/47/22/877424722.db2.gz ORHFJGDIPAVDPS-UHFFFAOYSA-N -1 3 392.411 3.795 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000175064895 877442239 /nfs/dbraw/zinc/44/22/39/877442239.db2.gz FYMVTCKKVGYUQM-UHFFFAOYSA-N -1 3 382.291 3.655 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030375998 877557910 /nfs/dbraw/zinc/55/79/10/877557910.db2.gz JTHAXSCQAJNXQJ-CZUORRHYSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000477409814 877580365 /nfs/dbraw/zinc/58/03/65/877580365.db2.gz AJKNOENEKLHISM-QGZVFWFLSA-N -1 3 375.852 3.728 20 0 GHADHM COC(=O)Cc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000477426619 877602922 /nfs/dbraw/zinc/60/29/22/877602922.db2.gz YYQJYXJURKIJBT-UHFFFAOYSA-N -1 3 392.415 3.517 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C)o1 ZINC000175347542 877634551 /nfs/dbraw/zinc/63/45/51/877634551.db2.gz QLCFDCXSYDMPJA-AWEZNQCLSA-N -1 3 378.277 3.702 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000787846643 877667542 /nfs/dbraw/zinc/66/75/42/877667542.db2.gz XXCWZDNBYPQYQJ-KBPBESRZSA-N -1 3 391.414 3.802 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848035 877668202 /nfs/dbraw/zinc/66/82/02/877668202.db2.gz KGIAMOSPQQFBBU-UHFFFAOYSA-N -1 3 379.815 3.998 20 0 GHADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000551815036 877882678 /nfs/dbraw/zinc/88/26/78/877882678.db2.gz BVKZYLQOINNQKV-CQSZACIVSA-N -1 3 382.489 3.718 20 0 GHADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000530509987 877980435 /nfs/dbraw/zinc/98/04/35/877980435.db2.gz DVDOHCYDUIQOSC-GRYCIOLGSA-N -1 3 377.282 3.797 20 0 GHADHM Cc1sc(Br)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000788279826 877990770 /nfs/dbraw/zinc/99/07/70/877990770.db2.gz BWTCGBFEUBOMFY-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)nc3onc(C(C)C)c32)c([O-])c1 ZINC000537766919 878266708 /nfs/dbraw/zinc/26/67/08/878266708.db2.gz LLVFVPJJWWRJSY-UHFFFAOYSA-N -1 3 383.404 3.789 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(F)c1 ZINC000176509691 878287608 /nfs/dbraw/zinc/28/76/08/878287608.db2.gz NOTIQPJKBMHFLF-UHFFFAOYSA-N -1 3 390.358 3.777 20 0 GHADHM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000180086021 878503688 /nfs/dbraw/zinc/50/36/88/878503688.db2.gz DGIFOGOPHFCGEL-NSHDSACASA-N -1 3 390.237 3.767 20 0 GHADHM Cc1cccnc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000451813469 878505488 /nfs/dbraw/zinc/50/54/88/878505488.db2.gz DUQSWEXWNHDYEE-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC2CCC1CC2)c1cc(Br)ccc1F ZINC001212278741 878551740 /nfs/dbraw/zinc/55/17/40/878551740.db2.gz WPRCAVARHZCUMF-HTAVTVPLSA-N -1 3 376.291 3.693 20 0 GHADHM CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000852987287 878724313 /nfs/dbraw/zinc/72/43/13/878724313.db2.gz KGQJCPQUWSGMPI-UHFFFAOYSA-N -1 3 377.444 3.508 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460971086 878891371 /nfs/dbraw/zinc/89/13/71/878891371.db2.gz DUOLCALTZPGZEN-KRWDZBQOSA-N -1 3 392.377 3.831 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2cccc(Cl)c2)cc1OC ZINC000460990318 878941110 /nfs/dbraw/zinc/94/11/10/878941110.db2.gz PVZCKTOEZGILMH-GFCCVEGCSA-N -1 3 396.896 3.852 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000531015237 878949118 /nfs/dbraw/zinc/94/91/18/878949118.db2.gz QWJXISLISDEQBP-CHWSQXEVSA-N -1 3 390.233 3.668 20 0 GHADHM CSc1nc(C2CC2)nc(C)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220629 879041230 /nfs/dbraw/zinc/04/12/30/879041230.db2.gz KKQXAXVRWYRLKQ-UHFFFAOYSA-N -1 3 379.489 3.757 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000178314249 879081739 /nfs/dbraw/zinc/08/17/39/879081739.db2.gz ITJUIRKNXQPSBS-UHFFFAOYSA-N -1 3 387.461 3.648 20 0 GHADHM C[C@]1(F)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000452201191 879125934 /nfs/dbraw/zinc/12/59/34/879125934.db2.gz ZMUQJTHIVOMDTB-KNQAVFIVSA-N -1 3 384.451 3.604 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1OC ZINC000616826245 879132768 /nfs/dbraw/zinc/13/27/68/879132768.db2.gz JYCJMMPMLFHAEE-HNNXBMFYSA-N -1 3 393.871 3.776 20 0 GHADHM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000461081930 879134481 /nfs/dbraw/zinc/13/44/81/879134481.db2.gz HDIXMTBJERZIBE-UHFFFAOYSA-N -1 3 383.816 3.599 20 0 GHADHM O=C(NCCc1c[nH]c2ccccc12)NCc1ccc([O-])c(Br)c1 ZINC000178676477 879179231 /nfs/dbraw/zinc/17/92/31/879179231.db2.gz ULWQSNNFHKHCBN-UHFFFAOYSA-N -1 3 388.265 3.678 20 0 GHADHM Cc1cc(C)c(N2CC[C@@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2=O)c(C)c1 ZINC000789893981 879341383 /nfs/dbraw/zinc/34/13/83/879341383.db2.gz CZMCHRYNZGBUGQ-LJQANCHMSA-N -1 3 398.478 3.701 20 0 GHADHM O=C([O-])C1(NCc2sc(Sc3ccccc3)nc2Cl)CCOCC1 ZINC000789902361 879348209 /nfs/dbraw/zinc/34/82/09/879348209.db2.gz MWXMHVXGTMRTPQ-UHFFFAOYSA-N -1 3 384.910 3.671 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(CCC(C)C)s2)nnn1Cc1ccccc1 ZINC000617093181 879378952 /nfs/dbraw/zinc/37/89/52/879378952.db2.gz HKRFWIBMOFTXJY-UHFFFAOYSA-N -1 3 384.509 3.581 20 0 GHADHM Cc1ccc2ccnc(NCc3nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]3)c2c1 ZINC000853975602 879413799 /nfs/dbraw/zinc/41/37/99/879413799.db2.gz YNFPVUKKUQCTAH-UHFFFAOYSA-N -1 3 395.463 3.676 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)c3cccc4nn[n-]c43)c2cc1C(C)C ZINC000790076446 879418550 /nfs/dbraw/zinc/41/85/50/879418550.db2.gz OTOKYEBYIJSUFX-UHFFFAOYSA-N -1 3 377.400 3.853 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)c3cccc4[n-]nnc43)c2cc1C(C)C ZINC000790076446 879418561 /nfs/dbraw/zinc/41/85/61/879418561.db2.gz OTOKYEBYIJSUFX-UHFFFAOYSA-N -1 3 377.400 3.853 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)c3cccc4n[n-]nc43)c2cc1C(C)C ZINC000790076446 879418567 /nfs/dbraw/zinc/41/85/67/879418567.db2.gz OTOKYEBYIJSUFX-UHFFFAOYSA-N -1 3 377.400 3.853 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([O-])c1 ZINC000452490555 879563747 /nfs/dbraw/zinc/56/37/47/879563747.db2.gz UAUMNAUNDFRJAT-SIKLNZKXSA-N -1 3 387.451 3.511 20 0 GHADHM Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000152746126 879632036 /nfs/dbraw/zinc/63/20/36/879632036.db2.gz IYZJETMAWJWMIT-LBPRGKRZSA-N -1 3 388.316 3.959 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000538534887 879671931 /nfs/dbraw/zinc/67/19/31/879671931.db2.gz LURMTMOYBUEDSN-QWHCGFSZSA-N -1 3 383.407 3.717 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538538673 879680006 /nfs/dbraw/zinc/68/00/06/879680006.db2.gz AIBJKANEIBAIKU-HUUCEWRRSA-N -1 3 388.411 3.925 20 0 GHADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493953061 879769119 /nfs/dbraw/zinc/76/91/19/879769119.db2.gz QLJRAVNMFWPPJJ-PWSUYJOCSA-N -1 3 396.734 3.584 20 0 GHADHM CCOc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000493998527 879802881 /nfs/dbraw/zinc/80/28/81/879802881.db2.gz DPCOPFREVZZUHH-KSSFIOAISA-N -1 3 388.895 3.837 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)n3)n[n-]2)o1 ZINC000538622237 879836674 /nfs/dbraw/zinc/83/66/74/879836674.db2.gz VCSLEIPIRYTCGT-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2nc(-c3cccs3)oc2C)cc1OC ZINC000112336434 879894661 /nfs/dbraw/zinc/89/46/61/879894661.db2.gz RFYPLHYRKLCREY-UHFFFAOYSA-N -1 3 388.445 3.519 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]nc1-c1ccccc1F ZINC000531505646 879996829 /nfs/dbraw/zinc/99/68/29/879996829.db2.gz SMDFWBWBPRTBSF-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM CC(C)CC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000531541191 880072013 /nfs/dbraw/zinc/07/20/13/880072013.db2.gz LUIZJBKJVQKZCH-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286038783 912544522 /nfs/dbraw/zinc/54/45/22/912544522.db2.gz BNDNJHRMROCNAQ-AEFFLSMTSA-N -1 3 393.405 3.616 20 0 GHADHM Cc1sc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)nc1C(C)C ZINC000855234730 880379253 /nfs/dbraw/zinc/37/92/53/880379253.db2.gz LALVMKXJOVHBDR-UHFFFAOYSA-N -1 3 380.463 3.885 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc(Cl)c(F)c2)cc1[O-] ZINC000791403537 880388564 /nfs/dbraw/zinc/38/85/64/880388564.db2.gz IBMKFIZERAZGAU-UHFFFAOYSA-N -1 3 383.759 3.599 20 0 GHADHM Cc1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c(O[C@H](C)CC(C)C)c1 ZINC000531831090 880574096 /nfs/dbraw/zinc/57/40/96/880574096.db2.gz GKCGTAXELYJTPQ-QGZVFWFLSA-N -1 3 398.503 3.560 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCC2=CCCCCC2)c1 ZINC000185731236 880674544 /nfs/dbraw/zinc/67/45/44/880674544.db2.gz YIKBULZYYHQVGN-UHFFFAOYSA-N -1 3 383.448 3.951 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000186215277 880821039 /nfs/dbraw/zinc/82/10/39/880821039.db2.gz YIXWZTCWNYVHOM-UHFFFAOYSA-N -1 3 393.292 3.775 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N2CCOC2=O)cc1 ZINC000792095913 880925797 /nfs/dbraw/zinc/92/57/97/880925797.db2.gz ZVMXSVNDMSFHNA-CQSZACIVSA-N -1 3 376.412 3.993 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000792179198 880967693 /nfs/dbraw/zinc/96/76/93/880967693.db2.gz ROTDIVALJQICNG-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000792229919 880991939 /nfs/dbraw/zinc/99/19/39/880991939.db2.gz BQVNLCYLONMSKN-TZIWHRDSSA-N -1 3 377.440 3.510 20 0 GHADHM CC1N=NC(=S)N1c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792283304 881013381 /nfs/dbraw/zinc/01/33/81/881013381.db2.gz SKSOODCBERECHU-UHFFFAOYSA-N -1 3 376.441 3.976 20 0 GHADHM CCOC(=O)c1nc(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)n[n-]1 ZINC001183606269 912645562 /nfs/dbraw/zinc/64/55/62/912645562.db2.gz FJHXIZMCZPPLIG-UHFFFAOYSA-N -1 3 394.353 3.550 20 0 GHADHM CCOC(=O)c1nnc(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)[n-]1 ZINC001183606269 912645565 /nfs/dbraw/zinc/64/55/65/912645565.db2.gz FJHXIZMCZPPLIG-UHFFFAOYSA-N -1 3 394.353 3.550 20 0 GHADHM CCOC(=O)c1n[n-]c(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)n1 ZINC001183606269 912645570 /nfs/dbraw/zinc/64/55/70/912645570.db2.gz FJHXIZMCZPPLIG-UHFFFAOYSA-N -1 3 394.353 3.550 20 0 GHADHM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc([O-])c1Br ZINC001275209919 912654282 /nfs/dbraw/zinc/65/42/82/912654282.db2.gz NQLFXQIOZILQJB-HUUCEWRRSA-N -1 3 381.314 3.520 20 0 GHADHM CC(C)(C)c1csc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)n1 ZINC000640292423 881220098 /nfs/dbraw/zinc/22/00/98/881220098.db2.gz KIZVICHNHQKTIN-UHFFFAOYSA-N -1 3 395.838 3.596 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)cc1 ZINC000132563810 881286662 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3.918 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263043231 883502514 /nfs/dbraw/zinc/50/25/14/883502514.db2.gz DWOHVONNLHRIFE-KRWDZBQOSA-N -1 3 394.471 3.700 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1c3c(cc4c1CCC4)CCC3)c2=O ZINC000427625723 883503793 /nfs/dbraw/zinc/50/37/93/883503793.db2.gz HDNCBEBSNJJGQC-UHFFFAOYSA-N -1 3 392.430 3.906 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)n1 ZINC000185730946 883581022 /nfs/dbraw/zinc/58/10/22/883581022.db2.gz KYEMCEVABMPKGZ-UHFFFAOYSA-N -1 3 375.762 3.929 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)c1 ZINC000029736694 883661603 /nfs/dbraw/zinc/66/16/03/883661603.db2.gz KXSBUSCGSVMCSE-UHFFFAOYSA-N -1 3 378.469 3.772 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2C)c(Cl)cc1Cl ZINC000747236054 883725236 /nfs/dbraw/zinc/72/52/36/883725236.db2.gz OEZQOCXGRNHBQO-UHFFFAOYSA-N -1 3 388.272 3.567 20 0 GHADHM COc1cc(OC)c(OC)cc1CN[C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000551420974 883844702 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390.417 3.620 20 0 GHADHM O=C(OCc1c(Cl)ccc(F)c1Cl)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000806011061 884269560 /nfs/dbraw/zinc/26/95/60/884269560.db2.gz BPYPVTIFYYRVLG-QUBYGPBYSA-N -1 3 388.144 3.633 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914603350 884296930 /nfs/dbraw/zinc/29/69/30/884296930.db2.gz LGZWPZRRBZUNPE-AWEZNQCLSA-N -1 3 392.496 3.702 20 0 GHADHM C[C@@H]1CN(c2cccc(Cl)c2)CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC001170498300 884327357 /nfs/dbraw/zinc/32/73/57/884327357.db2.gz AIGFQNPITRIAJI-CQSZACIVSA-N -1 3 384.863 3.863 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H](C)CC ZINC000914612288 884344958 /nfs/dbraw/zinc/34/49/58/884344958.db2.gz ZXNGAFPQRUUZRB-AWEZNQCLSA-N -1 3 386.533 3.943 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc2ccccc21 ZINC000263170924 884359777 /nfs/dbraw/zinc/35/97/77/884359777.db2.gz RZACITOKSVTKDM-BZSNNMDCSA-N -1 3 382.504 3.982 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(F)cc1C ZINC000556304431 884432948 /nfs/dbraw/zinc/43/29/48/884432948.db2.gz YEYTXFVIANVRTC-UHFFFAOYSA-N -1 3 391.342 3.529 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CCC1CCCCC1 ZINC000170634523 884444443 /nfs/dbraw/zinc/44/44/43/884444443.db2.gz YMEIYOUOHOPQOH-UHFFFAOYSA-N -1 3 382.508 3.502 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(F)(F)F ZINC000556347556 884552750 /nfs/dbraw/zinc/55/27/50/884552750.db2.gz XWVZGVNNSBRGAC-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM CCC(=O)N1CCc2cc(C(=O)COC(=O)c3cc4ccsc4[n-]3)ccc21 ZINC000918939820 884626356 /nfs/dbraw/zinc/62/63/56/884626356.db2.gz LXZSOTNCNLBLRU-UHFFFAOYSA-N -1 3 382.441 3.568 20 0 GHADHM Cc1cc2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)oc2c(Br)c1 ZINC000898217996 884636092 /nfs/dbraw/zinc/63/60/92/884636092.db2.gz WRBCJVJRVPLYJQ-JTQLQIEISA-N -1 3 390.237 3.562 20 0 GHADHM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc2[nH]1 ZINC000475837836 884850318 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ZINC000919324390 885379067 /nfs/dbraw/zinc/37/90/67/885379067.db2.gz HPNRAFDUVQVCKR-GXTWGEPZSA-N -1 3 379.416 3.501 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)[n-]n2)o1 ZINC000919324390 885379085 /nfs/dbraw/zinc/37/90/85/885379085.db2.gz HPNRAFDUVQVCKR-GXTWGEPZSA-N -1 3 379.416 3.501 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC000104367547 885391475 /nfs/dbraw/zinc/39/14/75/885391475.db2.gz DSFMDYIZRCUNHT-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC000104367547 885391498 /nfs/dbraw/zinc/39/14/98/885391498.db2.gz DSFMDYIZRCUNHT-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM COc1ccc([C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)c(C)c1 ZINC000154952182 885408227 /nfs/dbraw/zinc/40/82/27/885408227.db2.gz IBYAAYAMMLSTKN-JOCHJYFZSA-N -1 3 394.471 3.808 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)o1 ZINC000104634128 885505468 /nfs/dbraw/zinc/50/54/68/885505468.db2.gz UWOHRSBFLXRGSD-UHFFFAOYSA-N -1 3 382.747 3.576 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc(-c2ccccc2)nc1 ZINC000151538800 885695558 /nfs/dbraw/zinc/69/55/58/885695558.db2.gz DNBJUCJASDTJBD-UHFFFAOYSA-N -1 3 384.233 3.542 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(SC(F)(F)F)c1 ZINC000861652028 885731109 /nfs/dbraw/zinc/73/11/09/885731109.db2.gz NQLAHBZJSPFHRH-UHFFFAOYSA-N -1 3 385.293 3.757 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1OC ZINC000108547378 885740898 /nfs/dbraw/zinc/74/08/98/885740898.db2.gz XCTCVYJQSTZNJE-UHFFFAOYSA-N -1 3 398.484 3.791 20 0 GHADHM CC1(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000476423525 885755671 /nfs/dbraw/zinc/75/56/71/885755671.db2.gz LLCVUKHSBDSDFB-UHFFFAOYSA-N -1 3 376.316 3.545 20 0 GHADHM COC(=O)c1c(Cl)ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1Cl ZINC001131112962 885878304 /nfs/dbraw/zinc/87/83/04/885878304.db2.gz MJYBDTAPYGKQAY-UHFFFAOYSA-N -1 3 391.210 3.874 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108771727 885881986 /nfs/dbraw/zinc/88/19/86/885881986.db2.gz GPTQDSNKURHJPW-ROUUACIJSA-N -1 3 380.469 3.954 20 0 GHADHM CS[C@@H]1CCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000532528337 885894478 /nfs/dbraw/zinc/89/44/78/885894478.db2.gz GIICZYWAMDWDPG-GFCCVEGCSA-N -1 3 395.322 3.648 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nc(-c3c(F)cccc3F)cs2)c2ccccc21 ZINC000915185632 885958953 /nfs/dbraw/zinc/95/89/53/885958953.db2.gz YEJRABDTFVQCNT-WQLSENKSSA-N -1 3 383.379 3.811 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000556707412 885961733 /nfs/dbraw/zinc/96/17/33/885961733.db2.gz DTNKCWGPVWTYMB-VQIMIIECSA-N -1 3 396.487 3.661 20 0 GHADHM Cc1ccc(C(=O)NCC2CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055188725 886050512 /nfs/dbraw/zinc/05/05/12/886050512.db2.gz VGJBYZPKMSMXFI-UHFFFAOYSA-N -1 3 396.871 3.728 20 0 GHADHM COCc1ccc([C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000131460678 886107423 /nfs/dbraw/zinc/10/74/23/886107423.db2.gz FDQSKEIAZJSIIE-OAHLLOKOSA-N -1 3 379.416 3.746 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000808302530 886235412 /nfs/dbraw/zinc/23/54/12/886235412.db2.gz PRUNMVWDEBKFIB-KRWDZBQOSA-N -1 3 395.908 3.842 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762530333 886349673 /nfs/dbraw/zinc/34/96/73/886349673.db2.gz SQHHISUEBCHOMT-VHDGCEQUSA-N -1 3 387.523 3.538 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2ccc(Cl)cc2)ccc1F ZINC000762547647 886372577 /nfs/dbraw/zinc/37/25/77/886372577.db2.gz GEQAYEVSDJJVHD-UHFFFAOYSA-N -1 3 398.887 3.690 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000862442349 886385048 /nfs/dbraw/zinc/38/50/48/886385048.db2.gz YWJNMONVSBQSDN-CQSZACIVSA-N -1 3 375.419 3.912 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000762634107 886575909 /nfs/dbraw/zinc/57/59/09/886575909.db2.gz ZOQNFVVKWWZTQY-RHSMWYFYSA-N -1 3 388.514 3.601 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc2c1cnn2-c1ccccc1 ZINC000915418697 886598827 /nfs/dbraw/zinc/59/88/27/886598827.db2.gz LPJLCWJYPJVKPM-AAEUAGOBSA-N -1 3 396.394 3.723 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(Oc4ccccc4)nn3)n[n-]c21 ZINC000808673697 886669711 /nfs/dbraw/zinc/66/97/11/886669711.db2.gz HQTDDGNFBACWBO-UHFFFAOYSA-N -1 3 376.372 3.511 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(Oc4ccccc4)nn3)[n-]nc21 ZINC000808673697 886669724 /nfs/dbraw/zinc/66/97/24/886669724.db2.gz HQTDDGNFBACWBO-UHFFFAOYSA-N -1 3 376.372 3.511 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](Cc3cccc(Cl)c3F)C(C)=O)n[n-]c21 ZINC000808675475 886670919 /nfs/dbraw/zinc/67/09/19/886670919.db2.gz IGZXSOZIASDIKN-HNNXBMFYSA-N -1 3 390.798 3.721 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](Cc3cccc(Cl)c3F)C(C)=O)[n-]nc21 ZINC000808675475 886670926 /nfs/dbraw/zinc/67/09/26/886670926.db2.gz IGZXSOZIASDIKN-HNNXBMFYSA-N -1 3 390.798 3.721 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc(O)cc3)cc2)cc1 ZINC000132090570 886675109 /nfs/dbraw/zinc/67/51/09/886675109.db2.gz XGBLMFUZHQCKBM-UHFFFAOYSA-N -1 3 396.468 3.683 20 0 GHADHM CC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000119422128 886677638 /nfs/dbraw/zinc/67/76/38/886677638.db2.gz HHUKZKQOTJHPLF-UHFFFAOYSA-N -1 3 377.238 3.987 20 0 GHADHM O=c1nc(CN2CCO[C@H](c3ccsc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000125163268 886833896 /nfs/dbraw/zinc/83/38/96/886833896.db2.gz IGUMEUJCHIBGFV-HNNXBMFYSA-N -1 3 399.497 3.880 20 0 GHADHM C[C@H](NC(=O)Nc1cc(I)ccc1[O-])c1ccccc1 ZINC001202508555 886925636 /nfs/dbraw/zinc/92/56/36/886925636.db2.gz GNCFMTTXGADSGZ-JTQLQIEISA-N -1 3 382.201 3.880 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc2sccc2nc1Cl ZINC000863266291 886981077 /nfs/dbraw/zinc/98/10/77/886981077.db2.gz IJTQAGZIGDWILJ-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c[nH]nc3-c3ccccc3F)cc2)n1 ZINC000127497313 887067348 /nfs/dbraw/zinc/06/73/48/887067348.db2.gz NLKYBYKLMCYPTK-UHFFFAOYSA-N -1 3 389.390 3.527 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459324252 887356034 /nfs/dbraw/zinc/35/60/34/887356034.db2.gz KBXMTNDRDICTEQ-ZFWWWQNUSA-N -1 3 383.330 3.672 20 0 GHADHM CCOc1cc(CN2CCN(Cc3csc(CC)n3)CC2)cc(Cl)c1[O-] ZINC000459327762 887374777 /nfs/dbraw/zinc/37/47/77/887374777.db2.gz PJJAMVDLDSTFGV-UHFFFAOYSA-N -1 3 395.956 3.781 20 0 GHADHM C[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(-n2ccnn2)cc1 ZINC000794563655 887390319 /nfs/dbraw/zinc/39/03/19/887390319.db2.gz WNYWRFRXEGSHHC-LBPRGKRZSA-N -1 3 396.834 3.584 20 0 GHADHM Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c(C)c1 ZINC000863859089 887418384 /nfs/dbraw/zinc/41/83/84/887418384.db2.gz JJMAWRMUSSUHHB-JTQLQIEISA-N -1 3 398.246 3.832 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c(=O)[n-]1 ZINC000763016719 887553667 /nfs/dbraw/zinc/55/36/67/887553667.db2.gz UTXHKMSUMIPKRE-NRFANRHFSA-N -1 3 391.471 3.646 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c(=O)[n-]1 ZINC000763016723 887553943 /nfs/dbraw/zinc/55/39/43/887553943.db2.gz UTXHKMSUMIPKRE-OAQYLSRUSA-N -1 3 391.471 3.646 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NCc1cccc([O-])c1Br ZINC000459354900 887624207 /nfs/dbraw/zinc/62/42/07/887624207.db2.gz HOYMJHNZSILZSQ-UHFFFAOYSA-N -1 3 391.309 3.907 20 0 GHADHM Cc1nc(CCNCc2cc(C)c(F)cc2Br)sc1C(=O)[O-] ZINC000864504699 887808470 /nfs/dbraw/zinc/80/84/70/887808470.db2.gz YJOOHVPWBWRITC-UHFFFAOYSA-N -1 3 387.274 3.692 20 0 GHADHM CC(C)(C)c1csc(CNC[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])n1 ZINC000864513560 887818619 /nfs/dbraw/zinc/81/86/19/887818619.db2.gz GGYPEIVPNSCSDU-NSHDSACASA-N -1 3 386.439 3.891 20 0 GHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000864528699 887831482 /nfs/dbraw/zinc/83/14/82/887831482.db2.gz SFGMCJGJBGGGRO-OAQYLSRUSA-N -1 3 380.488 3.791 20 0 GHADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H]1CCC=CO1 ZINC000809780182 887831639 /nfs/dbraw/zinc/83/16/39/887831639.db2.gz OSYUFADOWKSFQN-HFTRVMKXSA-N -1 3 398.425 3.572 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cnn3ccc(C)nc23)s1)c1ccccc1 ZINC000106719795 887911018 /nfs/dbraw/zinc/91/10/18/887911018.db2.gz LKDFHSDFIOIGNL-AWEZNQCLSA-N -1 3 378.461 3.683 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCn2ccc3cc(Cl)ccc32)cc1OC ZINC000809995353 888051163 /nfs/dbraw/zinc/05/11/63/888051163.db2.gz GLLQZCKIDYERSY-UHFFFAOYSA-N -1 3 388.851 3.602 20 0 GHADHM O=c1cc(CN2CCCN3c4ccccc4C[C@H]3C2)c2cc(Cl)c([O-])cc2o1 ZINC000810051105 888098823 /nfs/dbraw/zinc/09/88/23/888098823.db2.gz VTMOGJMCESYZEI-INIZCTEOSA-N -1 3 396.874 3.789 20 0 GHADHM CC(C)CCc1nc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000810070268 888125987 /nfs/dbraw/zinc/12/59/87/888125987.db2.gz OMLWBHSRTOLOKR-CYBMUJFWSA-N -1 3 377.476 3.622 20 0 GHADHM CCc1cccc(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC001137053161 888293996 /nfs/dbraw/zinc/29/39/96/888293996.db2.gz AEWSWCQLLRMMGC-KRWDZBQOSA-N -1 3 378.513 3.966 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000763208333 888302076 /nfs/dbraw/zinc/30/20/76/888302076.db2.gz LKMJDXPMEZYJCO-NSHDSACASA-N -1 3 396.310 3.822 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000729666763 888318175 /nfs/dbraw/zinc/31/81/75/888318175.db2.gz ZCAWYQQXZFXISP-UHFFFAOYSA-N -1 3 378.450 3.843 20 0 GHADHM [O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1nc2cc(Cl)ccn2n1 ZINC000810251319 888353563 /nfs/dbraw/zinc/35/35/63/888353563.db2.gz QLXLWPFUQFBKSG-UHFFFAOYSA-N -1 3 385.733 3.655 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nc2cc(Cl)ccn2n1 ZINC000810251319 888353576 /nfs/dbraw/zinc/35/35/76/888353576.db2.gz QLXLWPFUQFBKSG-UHFFFAOYSA-N -1 3 385.733 3.655 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000475921182 888415459 /nfs/dbraw/zinc/41/54/59/888415459.db2.gz SECGWJPTUHPRNC-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000475921182 888415469 /nfs/dbraw/zinc/41/54/69/888415469.db2.gz SECGWJPTUHPRNC-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM CC(C)Cn1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1C1CC1 ZINC000536636069 888494397 /nfs/dbraw/zinc/49/43/97/888494397.db2.gz VAEJEMGBZMRSDQ-UHFFFAOYSA-N -1 3 385.418 3.759 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123323563 888671664 /nfs/dbraw/zinc/67/16/64/888671664.db2.gz BXCRFJYMIWKGAE-RDJZCZTQSA-N -1 3 381.350 3.712 20 0 GHADHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000796104078 913280219 /nfs/dbraw/zinc/28/02/19/913280219.db2.gz NLABIOWTDTZTOI-KDOFPFPSSA-N -1 3 388.514 3.519 20 0 GHADHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000123383700 888902255 /nfs/dbraw/zinc/90/22/55/888902255.db2.gz PXUMMXSOUVRFCD-SSDOTTSWSA-N -1 3 377.164 3.718 20 0 GHADHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000123383700 888902264 /nfs/dbraw/zinc/90/22/64/888902264.db2.gz PXUMMXSOUVRFCD-SSDOTTSWSA-N -1 3 377.164 3.718 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)C2(C3CCCCC3)CC2)s1 ZINC001132540249 889040677 /nfs/dbraw/zinc/04/06/77/889040677.db2.gz WVGFAKNRNKSYRX-UHFFFAOYSA-N -1 3 385.555 3.519 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(-c2ccccc2)cc1F ZINC000916514768 889068394 /nfs/dbraw/zinc/06/83/94/889068394.db2.gz MTDROXRJWIFPHM-UHFFFAOYSA-N -1 3 393.418 3.750 20 0 GHADHM Cc1c(-c2cc(COC(=O)c3cc4cc(Cl)sc4[n-]3)on2)cnn1C ZINC000811393737 889534783 /nfs/dbraw/zinc/53/47/83/889534783.db2.gz QHBUXBLMVXTJOT-UHFFFAOYSA-N -1 3 376.825 3.937 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)N1CCC(c2ccccc2)=N1 ZINC000811394418 889535861 /nfs/dbraw/zinc/53/58/61/889535861.db2.gz CRQFYWILILWOJB-UHFFFAOYSA-N -1 3 387.848 3.676 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000811494782 889646733 /nfs/dbraw/zinc/64/67/33/889646733.db2.gz VMDGOERJRLVLFG-ZDUSSCGKSA-N -1 3 382.888 3.813 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Br)cc1 ZINC000747721502 889648021 /nfs/dbraw/zinc/64/80/21/889648021.db2.gz TXDQEPKZERHCBX-CQSZACIVSA-N -1 3 398.203 3.571 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(OCc2cccs2)c1 ZINC000125263354 889930001 /nfs/dbraw/zinc/93/00/01/889930001.db2.gz JIGDUZPBWWILAO-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(OCc2cccs2)c1 ZINC000125263354 889930011 /nfs/dbraw/zinc/93/00/11/889930011.db2.gz JIGDUZPBWWILAO-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Br)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811831528 890016074 /nfs/dbraw/zinc/01/60/74/890016074.db2.gz AFGHUJAMAVONIA-AATRIKPKSA-N -1 3 396.188 3.604 20 0 GHADHM CC(C)CC[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811883106 890085462 /nfs/dbraw/zinc/08/54/62/890085462.db2.gz PVVMUKAKQJGYRK-HUUCEWRRSA-N -1 3 393.494 3.937 20 0 GHADHM CCCCCC(C)(C)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811891850 890091084 /nfs/dbraw/zinc/09/10/84/890091084.db2.gz XNBFYIGYAUVDAX-AWEZNQCLSA-N -1 3 379.467 3.693 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(F)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000869928697 890140672 /nfs/dbraw/zinc/14/06/72/890140672.db2.gz KGLZQFOIKFKCIX-MRXNPFEDSA-N -1 3 397.372 3.863 20 0 GHADHM CC(C)CCCCCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811991154 890157204 /nfs/dbraw/zinc/15/72/04/890157204.db2.gz VWHCPPZZLKJFKY-OAHLLOKOSA-N -1 3 379.467 3.693 20 0 GHADHM Cn1cccc1[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126148083 890382811 /nfs/dbraw/zinc/38/28/11/890382811.db2.gz AOZRNASZONZGLF-MRXNPFEDSA-N -1 3 392.297 3.930 20 0 GHADHM CCOC(=O)/C(=C\c1ccc(OC)c([O-])c1Br)c1ccnc(F)c1 ZINC000812247381 890478209 /nfs/dbraw/zinc/47/82/09/890478209.db2.gz KSGAKPFJUHCTAH-WQLSENKSSA-N -1 3 396.212 3.801 20 0 GHADHM CCCn1c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc2ccccc21 ZINC000812274796 890495086 /nfs/dbraw/zinc/49/50/86/890495086.db2.gz AMRWRAJGYMITKO-CQSZACIVSA-N -1 3 395.425 3.582 20 0 GHADHM COC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(Br)cc1C ZINC001184819866 913460455 /nfs/dbraw/zinc/46/04/55/913460455.db2.gz JLXZYUAHJLGTMR-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1Cl)c1cccnc1Cl ZINC001184894921 913488991 /nfs/dbraw/zinc/48/89/91/913488991.db2.gz DOCSOELNMLCVPL-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000533618982 890946174 /nfs/dbraw/zinc/94/61/74/890946174.db2.gz UQWDNAKGWSNHEB-HNNXBMFYSA-N -1 3 376.884 3.803 20 0 GHADHM Cc1cc(Br)cc(C)c1NC(=O)Nc1ccc(C(N)=O)cc1[O-] ZINC001184880544 913511647 /nfs/dbraw/zinc/51/16/47/913511647.db2.gz ISQZVEDJNGGUGN-UHFFFAOYSA-N -1 3 378.226 3.514 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)c1cccnc1Cl ZINC001184907395 913527471 /nfs/dbraw/zinc/52/74/71/913527471.db2.gz NPHAWHACOKSXQW-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM COc1cccc(OC)c1OC1CCN(Cc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000872156827 891185658 /nfs/dbraw/zinc/18/56/58/891185658.db2.gz GAVCVIWLGFSFAS-UHFFFAOYSA-N -1 3 385.460 3.754 20 0 GHADHM COc1ccccc1-c1nc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)co1 ZINC000872161122 891185705 /nfs/dbraw/zinc/18/57/05/891185705.db2.gz SYIWJWGEKWLULP-JOCHJYFZSA-N -1 3 378.428 3.579 20 0 GHADHM COc1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1OC ZINC000872323637 891239568 /nfs/dbraw/zinc/23/95/68/891239568.db2.gz OQAFKTCHUQDVII-CVEARBPZSA-N -1 3 393.842 3.797 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)[n-]n1 ZINC001184929934 913543879 /nfs/dbraw/zinc/54/38/79/913543879.db2.gz UYAFMXRVJZGPNZ-HNNXBMFYSA-N -1 3 394.353 3.661 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)n[n-]1 ZINC001184929934 913543884 /nfs/dbraw/zinc/54/38/84/913543884.db2.gz UYAFMXRVJZGPNZ-HNNXBMFYSA-N -1 3 394.353 3.661 20 0 GHADHM Cc1c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cnn1-c1ccc(Cl)cc1 ZINC001212042394 891395949 /nfs/dbraw/zinc/39/59/49/891395949.db2.gz GGMNFNLCPVZKKF-UHFFFAOYSA-N -1 3 389.855 3.690 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000872988280 891411900 /nfs/dbraw/zinc/41/19/00/891411900.db2.gz MYCDRBGUSBGFGC-SFGWALBWSA-N -1 3 398.528 3.623 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000813317592 891477542 /nfs/dbraw/zinc/47/75/42/891477542.db2.gz YAYDQHQSDGQCLY-LJQANCHMSA-N -1 3 395.377 3.521 20 0 GHADHM COc1cc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)ccc1[O-] ZINC000008322770 891602137 /nfs/dbraw/zinc/60/21/37/891602137.db2.gz OALGEPAKTHBANM-DUXPYHPUSA-N -1 3 377.190 3.788 20 0 GHADHM Cc1sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(F)cc1 ZINC000497553518 891884849 /nfs/dbraw/zinc/88/48/49/891884849.db2.gz PFUIORZQMXKDLK-UHFFFAOYSA-N -1 3 380.422 3.506 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)o1 ZINC000813761189 891933119 /nfs/dbraw/zinc/93/31/19/891933119.db2.gz LVMAXFGGOVNIEJ-UHFFFAOYSA-N -1 3 397.859 3.755 20 0 GHADHM O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000813877428 892057690 /nfs/dbraw/zinc/05/76/90/892057690.db2.gz VUDPIDSSGSUABW-XZOQPEGZSA-N -1 3 384.435 3.733 20 0 GHADHM CC(C)(O)[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000154424055 892116139 /nfs/dbraw/zinc/11/61/39/892116139.db2.gz MVKAUXNFGZRAOF-LBPRGKRZSA-N -1 3 393.119 3.653 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)c1C ZINC000917757671 892483937 /nfs/dbraw/zinc/48/39/37/892483937.db2.gz WDJVXYIVMLFHGZ-UHFFFAOYSA-N -1 3 388.489 3.673 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3Br)cc2[nH]1 ZINC000497846706 892542446 /nfs/dbraw/zinc/54/24/46/892542446.db2.gz JHVQNHJCOMDKGM-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM O=C([O-])c1cccc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000263447208 892562262 /nfs/dbraw/zinc/56/22/62/892562262.db2.gz YESCSYNFKLVWEX-UHFFFAOYSA-N -1 3 379.378 3.887 20 0 GHADHM CCCCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)cc1 ZINC001185133906 913687549 /nfs/dbraw/zinc/68/75/49/913687549.db2.gz BAOCSLATZPGCBD-UHFFFAOYSA-N -1 3 383.416 3.864 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2cc(C)nc(-c3ccc(Cl)cc3)n2)c[n-]1 ZINC000814530800 892832317 /nfs/dbraw/zinc/83/23/17/892832317.db2.gz GQMBXBHMBPOUOZ-UHFFFAOYSA-N -1 3 385.807 3.577 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2ccc(Cl)nc2C(F)(F)F)n1 ZINC000876301855 893064538 /nfs/dbraw/zinc/06/45/38/893064538.db2.gz MZHRPJQTMJHKAZ-UHFFFAOYSA-N -1 3 380.779 3.739 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC(F)F)c(F)c3)nc21 ZINC001134753027 893258363 /nfs/dbraw/zinc/25/83/63/893258363.db2.gz BHNASNBQAQOZOD-UHFFFAOYSA-N -1 3 393.321 3.732 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000021867766 893339327 /nfs/dbraw/zinc/33/93/27/893339327.db2.gz RNFWFOKXHCJVHC-UHFFFAOYSA-N -1 3 394.880 3.666 20 0 GHADHM COc1ccc(Br)cc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000563126976 893388937 /nfs/dbraw/zinc/38/89/37/893388937.db2.gz UEDPBQAOHOJLEI-SJORKVTESA-N -1 3 390.277 3.758 20 0 GHADHM COc1cnc([C@@H]2CCCN2CCCCCn2c(C)nc3ccccc32)[n-]c1=O ZINC000934279786 893522402 /nfs/dbraw/zinc/52/24/02/893522402.db2.gz PJSBDHZQZPTXNC-IBGZPJMESA-N -1 3 395.507 3.856 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)cc1 ZINC001134937223 893643527 /nfs/dbraw/zinc/64/35/27/893643527.db2.gz MFVIGFZULOVXML-UHFFFAOYSA-N -1 3 380.448 3.838 20 0 GHADHM N#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000032588616 893657810 /nfs/dbraw/zinc/65/78/10/893657810.db2.gz LHLBGRBTWQCCTK-UHFFFAOYSA-N -1 3 388.779 3.645 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008447292 893692650 /nfs/dbraw/zinc/69/26/50/893692650.db2.gz QFUGMMAAPJXDBI-UHFFFAOYSA-N -1 3 383.400 3.619 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3nccs3)c2C)c([O-])c1 ZINC000129608859 893713099 /nfs/dbraw/zinc/71/30/99/893713099.db2.gz OKRKIYZKTMYLLL-UHFFFAOYSA-N -1 3 385.445 3.685 20 0 GHADHM Cc1cnccc1OC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459529036 893739482 /nfs/dbraw/zinc/73/94/82/893739482.db2.gz XTTNAWYQEOZAEN-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000536760013 893752685 /nfs/dbraw/zinc/75/26/85/893752685.db2.gz FCKVNAAKRIRZMU-DIFFPNOSSA-N -1 3 387.860 3.542 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000934704660 893832468 /nfs/dbraw/zinc/83/24/68/893832468.db2.gz DNXYIDIPJNMZCU-DNNBLBMLSA-N -1 3 390.911 3.905 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000129716272 893887523 /nfs/dbraw/zinc/88/75/23/893887523.db2.gz TZFZXSNNCHDGHX-UHFFFAOYSA-N -1 3 387.842 3.976 20 0 GHADHM COc1cccc(CN(Cc2nnc(-c3ccccc3[O-])o2)C[C@H]2CCCO2)c1 ZINC000877994884 893934930 /nfs/dbraw/zinc/93/49/30/893934930.db2.gz OKTBFJGVRMMQSF-GOSISDBHSA-N -1 3 395.459 3.632 20 0 GHADHM Cn1nc(C2CCCCC2)cc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934860728 893987835 /nfs/dbraw/zinc/98/78/35/893987835.db2.gz ZLVNMXFDLYRAHC-UHFFFAOYSA-N -1 3 386.402 3.840 20 0 GHADHM COc1cccc(C[C@@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000563641254 894005238 /nfs/dbraw/zinc/00/52/38/894005238.db2.gz RFTQWJGLOJRQHL-HNNXBMFYSA-N -1 3 398.409 3.662 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3c(C)cccc3C)nc(=O)c2c1C ZINC000022618875 894175481 /nfs/dbraw/zinc/17/54/81/894175481.db2.gz XKQAACSCFKKAKA-ZDUSSCGKSA-N -1 3 386.473 3.901 20 0 GHADHM CC(C)(F)c1cc([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)no1 ZINC001135195110 894197202 /nfs/dbraw/zinc/19/72/02/894197202.db2.gz HBVRYJOXVWHAOA-UHFFFAOYSA-N -1 3 383.305 3.731 20 0 GHADHM C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878529695 894362629 /nfs/dbraw/zinc/36/26/29/894362629.db2.gz MJEJJQKWOXXMBJ-AWEZNQCLSA-N -1 3 394.431 3.592 20 0 GHADHM CN1CC[C@H](NCc2nnc(-c3ccccc3[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000878629754 894466891 /nfs/dbraw/zinc/46/68/91/894466891.db2.gz JTNLWEZYXXHUDW-LPHOPBHVSA-N -1 3 384.867 3.631 20 0 GHADHM O=c1[n-]c(CN2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)nc2c1COCC2 ZINC000878699142 894520976 /nfs/dbraw/zinc/52/09/76/894520976.db2.gz NSWWSWKELGSLQX-QGZVFWFLSA-N -1 3 399.882 3.512 20 0 GHADHM O=C(Nc1cn2cc(Br)ncc2n1)c1cc([O-])c2ccccc2c1 ZINC000816308178 894718507 /nfs/dbraw/zinc/71/85/07/894718507.db2.gz QWFCGGMIXUFNCR-UHFFFAOYSA-N -1 3 383.205 3.603 20 0 GHADHM CC(C)CN(Cc1cccc(C(F)(F)F)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000879033528 894797421 /nfs/dbraw/zinc/79/74/21/894797421.db2.gz OMGCUXQKDZKYMJ-UHFFFAOYSA-N -1 3 395.425 3.932 20 0 GHADHM COC[C@@H](C)N(Cc1nnc(-c2ccccc2[O-])o1)[C@H]1CCc2ccccc21 ZINC000879066040 894816901 /nfs/dbraw/zinc/81/69/01/894816901.db2.gz ZMJXFUYRCFLTIP-BEFAXECRSA-N -1 3 379.460 3.967 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(Cl)s1 ZINC001185494835 913915122 /nfs/dbraw/zinc/91/51/22/913915122.db2.gz QTPLBCCWNUBTJK-UHFFFAOYSA-N -1 3 380.274 3.951 20 0 GHADHM Cc1cnccc1OC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000564399881 894936321 /nfs/dbraw/zinc/93/63/21/894936321.db2.gz GWGJNGJPFNMJFR-UHFFFAOYSA-N -1 3 390.443 3.828 20 0 GHADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001135638205 894960763 /nfs/dbraw/zinc/96/07/63/894960763.db2.gz IWFSVTJUBFYCJW-LJQANCHMSA-N -1 3 380.444 3.801 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1OC ZINC000666865687 895062714 /nfs/dbraw/zinc/06/27/14/895062714.db2.gz WTJAUVVGKKGELQ-GJZGRUSLSA-N -1 3 380.510 3.612 20 0 GHADHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Cc1ccccc1 ZINC000564630016 895141270 /nfs/dbraw/zinc/14/12/70/895141270.db2.gz BTBBKUVCMVKTAJ-OAHLLOKOSA-N -1 3 378.350 3.663 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1F ZINC001185533006 913944572 /nfs/dbraw/zinc/94/45/72/913944572.db2.gz URWOISRZWZZZFK-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC1(C)C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000888806662 895621485 /nfs/dbraw/zinc/62/14/85/895621485.db2.gz GEHSNLFDIGXLRB-NSHDSACASA-N -1 3 395.322 3.695 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cnn(-c2cccc3ncccc32)c1C(F)(F)F ZINC001185641667 914005988 /nfs/dbraw/zinc/00/59/88/914005988.db2.gz KJNORDAGAORYBN-UHFFFAOYSA-N -1 3 399.332 3.792 20 0 GHADHM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1nnc2ccccc2c1[O-] ZINC000817688438 895839235 /nfs/dbraw/zinc/83/92/35/895839235.db2.gz WDUDRIPQUIWZCQ-HNNXBMFYSA-N -1 3 377.444 3.819 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(OCC)cc2)c1 ZINC001136017073 895914388 /nfs/dbraw/zinc/91/43/88/895914388.db2.gz WOOBZJILIXZAAV-IBGZPJMESA-N -1 3 380.444 3.893 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1[O-] ZINC001136036576 895937404 /nfs/dbraw/zinc/93/74/04/895937404.db2.gz NHZHECFCRQXWJY-GOSISDBHSA-N -1 3 383.835 3.501 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nnc([C@@H]2CCCO2)s1 ZINC000880885292 895963383 /nfs/dbraw/zinc/96/33/83/895963383.db2.gz CBYXMOHLBZLZIX-NSHDSACASA-N -1 3 388.371 3.662 20 0 GHADHM COc1ccc(-c2cnc(CN3CC[C@](C(=O)[O-])(c4ccccc4)C3)o2)cc1 ZINC000565898004 895965862 /nfs/dbraw/zinc/96/58/62/895965862.db2.gz GWQQHBVXZAUOLW-JOCHJYFZSA-N -1 3 378.428 3.579 20 0 GHADHM Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1cccc([O-])c1F ZINC000128902244 896267733 /nfs/dbraw/zinc/26/77/33/896267733.db2.gz SBACAMVOUHTDRP-UHFFFAOYSA-N -1 3 392.180 3.961 20 0 GHADHM Cc1cccc2c(C(=O)[N-]n3cnc4sc5c(c4c3=O)CCCC5)coc21 ZINC000819039992 896334392 /nfs/dbraw/zinc/33/43/92/896334392.db2.gz IDCFGFYVXNEZMD-UHFFFAOYSA-N -1 3 379.441 3.775 20 0 GHADHM COc1cccc2c1CCN(c1c(-c3nnn[n-]3)cnc3ccc(Cl)cc31)C2 ZINC000826218109 896406604 /nfs/dbraw/zinc/40/66/04/896406604.db2.gz PIIXKGBZCJPYME-UHFFFAOYSA-N -1 3 392.850 3.640 20 0 GHADHM COc1cccc2c1CCN(c1c(-c3nn[n-]n3)cnc3ccc(Cl)cc31)C2 ZINC000826218109 896406614 /nfs/dbraw/zinc/40/66/14/896406614.db2.gz PIIXKGBZCJPYME-UHFFFAOYSA-N -1 3 392.850 3.640 20 0 GHADHM CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000881800758 896531583 /nfs/dbraw/zinc/53/15/83/896531583.db2.gz JKBGAMHEFCTYPQ-UHFFFAOYSA-N -1 3 390.480 3.504 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826232135 896563659 /nfs/dbraw/zinc/56/36/59/896563659.db2.gz QWOQQBPGNHHEHC-INIZCTEOSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826232135 896563669 /nfs/dbraw/zinc/56/36/69/896563669.db2.gz QWOQQBPGNHHEHC-INIZCTEOSA-N -1 3 383.455 3.954 20 0 GHADHM Cc1c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cccc1N(C)C ZINC000826241501 896594678 /nfs/dbraw/zinc/59/46/78/896594678.db2.gz FXGGFLMBAXMTOV-UHFFFAOYSA-N -1 3 393.495 3.684 20 0 GHADHM Cc1c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cccc1N(C)C ZINC000826241501 896594687 /nfs/dbraw/zinc/59/46/87/896594687.db2.gz FXGGFLMBAXMTOV-UHFFFAOYSA-N -1 3 393.495 3.684 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)s1 ZINC000881973627 896594803 /nfs/dbraw/zinc/59/48/03/896594803.db2.gz ZBBUSOXFJMOLJY-ZETCQYMHSA-N -1 3 385.820 3.558 20 0 GHADHM Cc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC001136219788 896714670 /nfs/dbraw/zinc/71/46/70/896714670.db2.gz CIGICGCZFMGTOI-INIZCTEOSA-N -1 3 375.222 3.595 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)nn1C1CCCCC1 ZINC000826260537 896748241 /nfs/dbraw/zinc/74/82/41/896748241.db2.gz STUJEMSOSIHRKF-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)nn1C1CCCCC1 ZINC000826260537 896748250 /nfs/dbraw/zinc/74/82/50/896748250.db2.gz STUJEMSOSIHRKF-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM COc1cc(OC)c(OC)cc1CSCc1nnc(-c2ccccc2[O-])o1 ZINC000882297235 896748405 /nfs/dbraw/zinc/74/84/05/896748405.db2.gz XUUUICJKOYGOFQ-UHFFFAOYSA-N -1 3 388.445 3.901 20 0 GHADHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)s1 ZINC000882477588 896824641 /nfs/dbraw/zinc/82/46/41/896824641.db2.gz QCTWPVPQNJSXHP-LURJTMIESA-N -1 3 385.820 3.558 20 0 GHADHM Cc1cc(NCc2cc(Cl)ccn2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271611 896825625 /nfs/dbraw/zinc/82/56/25/896825625.db2.gz YSZRUOSXRWECHO-UHFFFAOYSA-N -1 3 390.838 3.637 20 0 GHADHM Cc1cc(NCc2cc(Cl)ccn2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271611 896825639 /nfs/dbraw/zinc/82/56/39/896825639.db2.gz YSZRUOSXRWECHO-UHFFFAOYSA-N -1 3 390.838 3.637 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000826278848 896866046 /nfs/dbraw/zinc/86/60/46/896866046.db2.gz VSLNVFQHTWTPOH-UHFFFAOYSA-N -1 3 394.382 3.883 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000826278848 896866059 /nfs/dbraw/zinc/86/60/59/896866059.db2.gz VSLNVFQHTWTPOH-UHFFFAOYSA-N -1 3 394.382 3.883 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c1 ZINC000882709383 896919028 /nfs/dbraw/zinc/91/90/28/896919028.db2.gz JUOYZGJZEFHLPL-HSZRJFAPSA-N -1 3 392.930 3.630 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819833670 897013619 /nfs/dbraw/zinc/01/36/19/897013619.db2.gz JXMUREOXFKZHHD-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819833670 897013628 /nfs/dbraw/zinc/01/36/28/897013628.db2.gz JXMUREOXFKZHHD-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]cnc(=N[C@H](C)[C@@H](c3ccccc3C)N(C)C)c12 ZINC000567275487 897026951 /nfs/dbraw/zinc/02/69/51/897026951.db2.gz MMXJIRDRMLSLLB-CJNGLKHVSA-N -1 3 384.505 3.532 20 0 GHADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001136279158 897039398 /nfs/dbraw/zinc/03/93/98/897039398.db2.gz RWFVZYLQWAHNLG-UHFFFAOYSA-N -1 3 391.423 3.672 20 0 GHADHM Cc1cccc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1C ZINC000826295943 897165943 /nfs/dbraw/zinc/16/59/43/897165943.db2.gz DUVBTPIFTQSCQF-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000820116627 897171253 /nfs/dbraw/zinc/17/12/53/897171253.db2.gz KXWGTCFGHONZON-KNQAVFIVSA-N -1 3 390.491 3.517 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000820116627 897171263 /nfs/dbraw/zinc/17/12/63/897171263.db2.gz KXWGTCFGHONZON-KNQAVFIVSA-N -1 3 390.491 3.517 20 0 GHADHM O=C(NCCCOCCc1ccccc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136325391 897258136 /nfs/dbraw/zinc/25/81/36/897258136.db2.gz UIDSKWWRPIUGTB-UHFFFAOYSA-N -1 3 384.863 3.561 20 0 GHADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001136348575 897371760 /nfs/dbraw/zinc/37/17/60/897371760.db2.gz NUDJNQHKSUBJOS-UHFFFAOYSA-N -1 3 394.393 3.538 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(CCC(F)(F)F)s1 ZINC000820722624 897495447 /nfs/dbraw/zinc/49/54/47/897495447.db2.gz ZIQFQOLUVQMVSX-UHFFFAOYSA-N -1 3 392.428 3.636 20 0 GHADHM Cc1ccncc1C=CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826315816 897508812 /nfs/dbraw/zinc/50/88/12/897508812.db2.gz VATHOXVCXRQCQZ-KHPPLWFESA-N -1 3 396.454 3.567 20 0 GHADHM Cc1ccncc1C=CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826315816 897508820 /nfs/dbraw/zinc/50/88/20/897508820.db2.gz VATHOXVCXRQCQZ-KHPPLWFESA-N -1 3 396.454 3.567 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccncc2)C1)c1cccc(Cl)c1Cl ZINC000568028568 897543940 /nfs/dbraw/zinc/54/39/40/897543940.db2.gz OPWYGFOIBCXRLP-GXTWGEPZSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1nc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323714 897605205 /nfs/dbraw/zinc/60/52/05/897605205.db2.gz OQWLYGRTSAMCID-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323714 897605211 /nfs/dbraw/zinc/60/52/11/897605211.db2.gz OQWLYGRTSAMCID-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCO[C@@H](c4ccc(F)cc4F)C3)cc(=O)oc12 ZINC000187255464 897668000 /nfs/dbraw/zinc/66/80/00/897668000.db2.gz UYKZPKGEVBUHNG-LJQANCHMSA-N -1 3 387.382 3.659 20 0 GHADHM COc1cc2c(cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)oc1ccccc12 ZINC000187541815 897687486 /nfs/dbraw/zinc/68/74/86/897687486.db2.gz JQOKCQQKHCEKHL-UHFFFAOYSA-N -1 3 379.328 3.856 20 0 GHADHM COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC001136452975 897921742 /nfs/dbraw/zinc/92/17/42/897921742.db2.gz PDXWWNLTJQUJJX-FQEVSTJZSA-N -1 3 381.403 3.959 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2cccc3cc[nH]c32)n1 ZINC000826350768 897955315 /nfs/dbraw/zinc/95/53/15/897955315.db2.gz KJVRHUPQQHJAEO-UHFFFAOYSA-N -1 3 390.838 3.799 20 0 GHADHM CCCCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042911794 898009942 /nfs/dbraw/zinc/00/99/42/898009942.db2.gz DFIBBZYMJYRFDG-UHFFFAOYSA-N -1 3 381.904 3.986 20 0 GHADHM Cn1c(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nnc1C1CCC1 ZINC000826355902 898079401 /nfs/dbraw/zinc/07/94/01/898079401.db2.gz RXGVBLJYJOMXSN-UHFFFAOYSA-N -1 3 395.414 3.574 20 0 GHADHM Cn1c(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nnc1C1CCC1 ZINC000826355902 898079410 /nfs/dbraw/zinc/07/94/10/898079410.db2.gz RXGVBLJYJOMXSN-UHFFFAOYSA-N -1 3 395.414 3.574 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Cl)nc1F ZINC001136506896 898092395 /nfs/dbraw/zinc/09/23/95/898092395.db2.gz KPMPWZBHWFYJHJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COc1ccc(CNc2ccc(COC3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821821556 898104557 /nfs/dbraw/zinc/10/45/57/898104557.db2.gz KTABTQUAANSPJA-UHFFFAOYSA-N -1 3 379.464 3.947 20 0 GHADHM COc1ccc(CNc2ccc(COC3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821821556 898104566 /nfs/dbraw/zinc/10/45/66/898104566.db2.gz KTABTQUAANSPJA-UHFFFAOYSA-N -1 3 379.464 3.947 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1coc2ccccc12 ZINC001170973771 898163591 /nfs/dbraw/zinc/16/35/91/898163591.db2.gz LVBTUHDSIKQXSR-UHFFFAOYSA-N -1 3 390.399 3.978 20 0 GHADHM COc1cccc([O-])c1C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC001136532471 898195644 /nfs/dbraw/zinc/19/56/44/898195644.db2.gz MWKABHQRGOQWCG-UHFFFAOYSA-N -1 3 384.407 3.900 20 0 GHADHM O=C([O-])[C@H](CSCc1cccc2cccnc21)NCc1cccc(F)c1F ZINC000568942457 898227961 /nfs/dbraw/zinc/22/79/61/898227961.db2.gz LPYBZCPTWRPWHV-KRWDZBQOSA-N -1 3 388.439 3.989 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc2)C[C@@H](C)O1 ZINC000133266163 898257694 /nfs/dbraw/zinc/25/76/94/898257694.db2.gz DUABVRNWQGWTLB-HZPDHXFCSA-N -1 3 397.500 3.649 20 0 GHADHM CN(CCOCc1ccccc1)Cc1cc(Br)ccc1C(=O)[O-] ZINC000569110089 898346911 /nfs/dbraw/zinc/34/69/11/898346911.db2.gz FRBGDPYPEMHLIH-UHFFFAOYSA-N -1 3 378.266 3.796 20 0 GHADHM COc1ccc(Nc2nc(COC(=O)c3cccc4nn[n-]c43)cs2)cc1 ZINC000800204887 898738227 /nfs/dbraw/zinc/73/82/27/898738227.db2.gz AOVCQGHHUHMLFA-UHFFFAOYSA-N -1 3 381.417 3.524 20 0 GHADHM COc1ccc(Nc2nc(COC(=O)c3cccc4[n-]nnc43)cs2)cc1 ZINC000800204887 898738238 /nfs/dbraw/zinc/73/82/38/898738238.db2.gz AOVCQGHHUHMLFA-UHFFFAOYSA-N -1 3 381.417 3.524 20 0 GHADHM COc1ccc(Nc2nc(COC(=O)c3cccc4n[n-]nc43)cs2)cc1 ZINC000800204887 898738248 /nfs/dbraw/zinc/73/82/48/898738248.db2.gz AOVCQGHHUHMLFA-UHFFFAOYSA-N -1 3 381.417 3.524 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cc1Cl ZINC000569538059 898759684 /nfs/dbraw/zinc/75/96/84/898759684.db2.gz RSDGPCUIJLLUJS-UHFFFAOYSA-N -1 3 392.908 3.721 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823367008 898984688 /nfs/dbraw/zinc/98/46/88/898984688.db2.gz CUCNKELAMDZAOI-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823367008 898984695 /nfs/dbraw/zinc/98/46/95/898984695.db2.gz CUCNKELAMDZAOI-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CC(C)(C)OC(=O)C[C@H](N)c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000823382441 898998442 /nfs/dbraw/zinc/99/84/42/898998442.db2.gz YADMKZRWSJTSAD-KRWDZBQOSA-N -1 3 395.459 3.765 20 0 GHADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)no1 ZINC000331670771 899073081 /nfs/dbraw/zinc/07/30/81/899073081.db2.gz QBWRZZGXLXVDDP-UHFFFAOYSA-N -1 3 385.898 3.768 20 0 GHADHM C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646199180 914317752 /nfs/dbraw/zinc/31/77/52/914317752.db2.gz QMGSPTVFNDUEGT-HZPDHXFCSA-N -1 3 383.492 3.625 20 0 GHADHM CCCc1c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cnn1-c1cc(C)ccn1 ZINC000570379505 899291602 /nfs/dbraw/zinc/29/16/02/899291602.db2.gz UCCFIVZTXNSCQX-FXAWDEMLSA-N -1 3 396.516 3.826 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824104473 899376667 /nfs/dbraw/zinc/37/66/67/899376667.db2.gz UEULVFQLXIAJHN-NSHDSACASA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824104473 899376680 /nfs/dbraw/zinc/37/66/80/899376680.db2.gz UEULVFQLXIAJHN-NSHDSACASA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)OC1CCC(Nc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000824309347 899518198 /nfs/dbraw/zinc/51/81/98/899518198.db2.gz KXRZYBBCCNVCMB-UHFFFAOYSA-N -1 3 380.290 3.777 20 0 GHADHM CC(C)OC1CCC(Nc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000824309347 899518204 /nfs/dbraw/zinc/51/82/04/899518204.db2.gz KXRZYBBCCNVCMB-UHFFFAOYSA-N -1 3 380.290 3.777 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000824319552 899526183 /nfs/dbraw/zinc/52/61/83/899526183.db2.gz UDVGNOQTPIWWQK-YSVLISHTSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000824319552 899526195 /nfs/dbraw/zinc/52/61/95/899526195.db2.gz UDVGNOQTPIWWQK-YSVLISHTSA-N -1 3 384.484 3.696 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1 ZINC000332283817 899543827 /nfs/dbraw/zinc/54/38/27/899543827.db2.gz IHGGZCINDNIPEX-ZDUSSCGKSA-N -1 3 381.398 3.727 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)c(I)c1 ZINC000824415143 899612156 /nfs/dbraw/zinc/61/21/56/899612156.db2.gz JMRHKGQZRIVDNW-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)c(I)c1 ZINC000824415143 899612173 /nfs/dbraw/zinc/61/21/73/899612173.db2.gz JMRHKGQZRIVDNW-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM C[C@H](NC(=O)C1CC(F)(F)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472001 899618229 /nfs/dbraw/zinc/61/82/29/899618229.db2.gz UAJFMEKNNDFQQV-LBPRGKRZSA-N -1 3 383.402 3.756 20 0 GHADHM C[C@H](NC(=O)C1CC(F)(F)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472001 899618236 /nfs/dbraw/zinc/61/82/36/899618236.db2.gz UAJFMEKNNDFQQV-LBPRGKRZSA-N -1 3 383.402 3.756 20 0 GHADHM C[C@H](NC(=O)CC1CCOCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478609 899623717 /nfs/dbraw/zinc/62/37/17/899623717.db2.gz IEMLCJCJHPEBCY-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)CC1CCOCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478609 899623727 /nfs/dbraw/zinc/62/37/27/899623727.db2.gz IEMLCJCJHPEBCY-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478947 899624123 /nfs/dbraw/zinc/62/41/23/899624123.db2.gz KOOVWWLUWAJKJZ-HNNXBMFYSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478947 899624130 /nfs/dbraw/zinc/62/41/30/899624130.db2.gz KOOVWWLUWAJKJZ-HNNXBMFYSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)N(C)CC(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490426 899632301 /nfs/dbraw/zinc/63/23/01/899632301.db2.gz PEQWFZYNLKQQRX-GFCCVEGCSA-N -1 3 386.406 3.501 20 0 GHADHM C[C@@H](NC(=O)N(C)CC(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490426 899632305 /nfs/dbraw/zinc/63/23/05/899632305.db2.gz PEQWFZYNLKQQRX-GFCCVEGCSA-N -1 3 386.406 3.501 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470424 899649953 /nfs/dbraw/zinc/64/99/53/899649953.db2.gz IDHNDDBZNCQROL-HOTGVXAUSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470424 899649957 /nfs/dbraw/zinc/64/99/57/899649957.db2.gz IDHNDDBZNCQROL-HOTGVXAUSA-N -1 3 398.470 3.910 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000134140423 899656482 /nfs/dbraw/zinc/65/64/82/899656482.db2.gz GKJWOPVXSGRYNS-UHFFFAOYSA-N -1 3 391.349 3.725 20 0 GHADHM CC1=CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000824852268 899839213 /nfs/dbraw/zinc/83/92/13/899839213.db2.gz JAOFEXPOYKANAV-INIZCTEOSA-N -1 3 388.475 3.956 20 0 GHADHM CC1=CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824852268 899839218 /nfs/dbraw/zinc/83/92/18/899839218.db2.gz JAOFEXPOYKANAV-INIZCTEOSA-N -1 3 388.475 3.956 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000571517743 899896880 /nfs/dbraw/zinc/89/68/80/899896880.db2.gz YWGIVMCBBFMOJH-UHFFFAOYSA-N -1 3 389.395 3.553 20 0 GHADHM COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC001186219689 914394550 /nfs/dbraw/zinc/39/45/50/914394550.db2.gz TXYFSOBEQKWURP-SFHVURJKSA-N -1 3 386.467 3.667 20 0 GHADHM C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000333096344 899956292 /nfs/dbraw/zinc/95/62/92/899956292.db2.gz UIMJXRGQDOIQMB-ZMPRRUGASA-N -1 3 383.444 3.593 20 0 GHADHM CO[C@@H](CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001136990541 899975783 /nfs/dbraw/zinc/97/57/83/899975783.db2.gz ZLJAJKVSICNPMH-INIZCTEOSA-N -1 3 392.789 3.577 20 0 GHADHM CCC(CC)n1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000825114902 899985707 /nfs/dbraw/zinc/98/57/07/899985707.db2.gz REVNEDODPCQHSB-UHFFFAOYSA-N -1 3 387.875 3.663 20 0 GHADHM CCC(CC)n1nc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000825114902 899985717 /nfs/dbraw/zinc/98/57/17/899985717.db2.gz REVNEDODPCQHSB-UHFFFAOYSA-N -1 3 387.875 3.663 20 0 GHADHM CC[C@H]1C[C@H](OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825181671 900014728 /nfs/dbraw/zinc/01/47/28/900014728.db2.gz FODBWOWQXBUKRH-LSDHHAIUSA-N -1 3 378.432 3.648 20 0 GHADHM CC[C@H]1C[C@H](OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825181671 900014739 /nfs/dbraw/zinc/01/47/39/900014739.db2.gz FODBWOWQXBUKRH-LSDHHAIUSA-N -1 3 378.432 3.648 20 0 GHADHM CCCC1(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCC1 ZINC000825248403 900050912 /nfs/dbraw/zinc/05/09/12/900050912.db2.gz SYHYERJBKNPMQR-UHFFFAOYSA-N -1 3 385.859 3.615 20 0 GHADHM CC(=CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1OC(F)F ZINC000825304745 900081603 /nfs/dbraw/zinc/08/16/03/900081603.db2.gz IJSOOWQOJFTLJX-FMIVXFBMSA-N -1 3 389.402 3.771 20 0 GHADHM O=C(CO[C@H]1CCCc2ccccc21)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884487331 900137813 /nfs/dbraw/zinc/13/78/13/900137813.db2.gz RGCMZLOPSQYIAT-SFHVURJKSA-N -1 3 380.400 3.580 20 0 GHADHM CCOC(=O)[C@@H](CC)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825486238 900188123 /nfs/dbraw/zinc/18/81/23/900188123.db2.gz PFHNJYHDZBGGCB-IFXJQAMLSA-N -1 3 379.464 3.526 20 0 GHADHM CCOC(=O)[C@@H](CC)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825486238 900188129 /nfs/dbraw/zinc/18/81/29/900188129.db2.gz PFHNJYHDZBGGCB-IFXJQAMLSA-N -1 3 379.464 3.526 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CCC4(CCOCC4)CO3)nc2)n1 ZINC000884673914 900229801 /nfs/dbraw/zinc/22/98/01/900229801.db2.gz JDCYJLIJIKWMQS-SFHVURJKSA-N -1 3 398.507 3.584 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143649181 900284219 /nfs/dbraw/zinc/28/42/19/900284219.db2.gz PSUQEXUHDABMDH-ZDUSSCGKSA-N -1 3 390.155 3.846 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H](Oc3ncccc3F)C2)nc2c3ccccc3oc21 ZINC000573041789 900350486 /nfs/dbraw/zinc/35/04/86/900350486.db2.gz GCULUTZDUGRFFJ-ZDUSSCGKSA-N -1 3 394.406 3.659 20 0 GHADHM COC/C(C)=C\C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000844347908 900744912 /nfs/dbraw/zinc/74/49/12/900744912.db2.gz UMQULJHXXULIKN-OWBHPGMISA-N -1 3 388.489 3.635 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000886123855 900805085 /nfs/dbraw/zinc/80/50/85/900805085.db2.gz HUQWFGOZLHKPLQ-GOSISDBHSA-N -1 3 385.485 3.605 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC2(c3cccc(Cl)c3)CCCC2)c(=O)[n-]1 ZINC000065681837 900983988 /nfs/dbraw/zinc/98/39/88/900983988.db2.gz ZCSKSHHOATWUMF-UHFFFAOYSA-N -1 3 387.911 3.601 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c(=O)[n-]1 ZINC000065767698 900985500 /nfs/dbraw/zinc/98/55/00/900985500.db2.gz WHALTCBVXCSSEW-UHFFFAOYSA-N -1 3 387.911 3.601 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(F)c3)cc2)CCO1 ZINC000844653659 901114189 /nfs/dbraw/zinc/11/41/89/901114189.db2.gz CRMWMEDNPKQTGS-LBPRGKRZSA-N -1 3 384.860 3.505 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(Oc2ccncc2)c(C)c1 ZINC000844660075 901122580 /nfs/dbraw/zinc/12/25/80/901122580.db2.gz CITXEFAMBVTADM-SFHVURJKSA-N -1 3 392.477 3.656 20 0 GHADHM O=c1c2ccsc2ccn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826501458 901352531 /nfs/dbraw/zinc/35/25/31/901352531.db2.gz QYXHRRZYBWBGRE-UHFFFAOYSA-N -1 3 385.452 3.958 20 0 GHADHM O=c1c2ccsc2ccn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826501458 901352545 /nfs/dbraw/zinc/35/25/45/901352545.db2.gz QYXHRRZYBWBGRE-UHFFFAOYSA-N -1 3 385.452 3.958 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cc(=O)[n-]c(C2CC2)n1 ZINC000575879941 901422662 /nfs/dbraw/zinc/42/26/62/901422662.db2.gz FHMURJFDVUHBQS-UHFFFAOYSA-N -1 3 389.459 3.850 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)CCCC(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000575909009 901458116 /nfs/dbraw/zinc/45/81/16/901458116.db2.gz WIEWITUSRFGIPZ-HNNXBMFYSA-N -1 3 380.514 3.574 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000575995618 901564241 /nfs/dbraw/zinc/56/42/41/901564241.db2.gz RPMCPAQZKBBSRW-KRWDZBQOSA-N -1 3 379.254 3.791 20 0 GHADHM Cc1nc([C@H](C)S(=O)(=O)c2nc(C3CC3)n[n-]2)oc1-c1ccc(Cl)cc1 ZINC000122028857 901716539 /nfs/dbraw/zinc/71/65/39/901716539.db2.gz KZNPINUOYBUYFL-JTQLQIEISA-N -1 3 392.868 3.834 20 0 GHADHM Cc1nc([C@H](C)S(=O)(=O)c2nnc(C3CC3)[n-]2)oc1-c1ccc(Cl)cc1 ZINC000122028857 901716556 /nfs/dbraw/zinc/71/65/56/901716556.db2.gz KZNPINUOYBUYFL-JTQLQIEISA-N -1 3 392.868 3.834 20 0 GHADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000576282011 901911081 /nfs/dbraw/zinc/91/10/81/901911081.db2.gz RBNKRHNRZFEUSX-CABCVRRESA-N -1 3 394.443 3.637 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000333262855 901950530 /nfs/dbraw/zinc/95/05/30/901950530.db2.gz MJUFKFLPOSCUBO-NZSAHSFTSA-N -1 3 384.520 3.720 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000576586096 902111708 /nfs/dbraw/zinc/11/17/08/902111708.db2.gz NAKXHTZFXOZOKM-HUUCEWRRSA-N -1 3 394.443 3.637 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1cnc(Cl)c(Cl)c1 ZINC000158844994 902213636 /nfs/dbraw/zinc/21/36/36/902213636.db2.gz HUJPWRDDOPOZKZ-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM CN1C[C@@H](c2ccccc2)C2(CCN(Cc3c(F)cc([O-])cc3F)CC2)C1=O ZINC001144553863 902368473 /nfs/dbraw/zinc/36/84/73/902368473.db2.gz SWJCGDYBFONOPP-SFHVURJKSA-N -1 3 386.442 3.508 20 0 GHADHM [O-]c1cc(F)c(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)c(F)c1 ZINC001144553433 902368529 /nfs/dbraw/zinc/36/85/29/902368529.db2.gz DALJZFWUCYQNPL-UHFFFAOYSA-N -1 3 388.458 3.537 20 0 GHADHM C[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1c[nH]c2ccccc21 ZINC000290318683 914627393 /nfs/dbraw/zinc/62/73/93/914627393.db2.gz ICZUHRRHUSFLCJ-ZIAGYGMSSA-N -1 3 395.425 3.579 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144629123 902533114 /nfs/dbraw/zinc/53/31/14/902533114.db2.gz VCEKQKFMYNSPLK-MOPGFXCFSA-N -1 3 385.435 3.759 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C[C@]1(F)Cl ZINC000845981925 902562499 /nfs/dbraw/zinc/56/24/99/902562499.db2.gz QEGLZYOKFABZAL-VXGBXAGGSA-N -1 3 388.661 3.571 20 0 GHADHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4sccc4C(=O)[O-])C[C@H]3O2)n1 ZINC001144671197 902599314 /nfs/dbraw/zinc/59/93/14/902599314.db2.gz QMTXURFBNWDJCO-RRQGHBQHSA-N -1 3 387.505 3.712 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCc3cccc(OC)c3)[n-]c(=O)c12 ZINC000577252612 902619386 /nfs/dbraw/zinc/61/93/86/902619386.db2.gz QBTNVOAHVRVFGF-UHFFFAOYSA-N -1 3 399.472 3.559 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)cc1 ZINC001144869446 903054874 /nfs/dbraw/zinc/05/48/74/903054874.db2.gz VJJOAJCYUKLHNE-UHFFFAOYSA-N -1 3 376.460 3.709 20 0 GHADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cs1 ZINC000577784338 903186177 /nfs/dbraw/zinc/18/61/77/903186177.db2.gz XGGUHHLLSSRKAR-MRVPVSSYSA-N -1 3 398.403 3.783 20 0 GHADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264658486 903290296 /nfs/dbraw/zinc/29/02/96/903290296.db2.gz CTRXEVDGMBMRQT-CQSZACIVSA-N -1 3 387.480 3.610 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3cccc([O-])c3F)c(C(F)(F)F)c2)CC1 ZINC001146185655 903465607 /nfs/dbraw/zinc/46/56/07/903465607.db2.gz AEPPJZDBVDDREO-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([O-])c1F ZINC001146845963 903624555 /nfs/dbraw/zinc/62/45/55/903624555.db2.gz DCVOOHVVEPAJBV-AWEZNQCLSA-N -1 3 382.357 3.554 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cc(F)cc2n[n-]nc21 ZINC000578275262 903680182 /nfs/dbraw/zinc/68/01/82/903680182.db2.gz CNKXWPWHALJVEM-UHFFFAOYSA-N -1 3 375.354 3.618 20 0 GHADHM O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1cc([O-])ccc1Cl ZINC000578285155 903692747 /nfs/dbraw/zinc/69/27/47/903692747.db2.gz WOAZQBFHHPOCBP-UHFFFAOYSA-N -1 3 393.628 3.846 20 0 GHADHM COc1cccc(C(=O)N(c2cc(Br)ccc2N)C(C)C)c1[O-] ZINC001148208072 904006267 /nfs/dbraw/zinc/00/62/67/904006267.db2.gz ZCDCSSOMRYTIDF-UHFFFAOYSA-N -1 3 379.254 3.801 20 0 GHADHM COc1cccc(C(=O)Nc2c(F)cc(F)c(F)c2Br)c1[O-] ZINC001148201702 904013823 /nfs/dbraw/zinc/01/38/23/904013823.db2.gz FDZUGBUWGJHXBZ-UHFFFAOYSA-N -1 3 376.128 3.833 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])cc1F ZINC001148333930 904044242 /nfs/dbraw/zinc/04/42/42/904044242.db2.gz BXXFBXOYUZRZIT-UHFFFAOYSA-N -1 3 382.391 3.918 20 0 GHADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](N3Cc4cccc(F)c4C3=O)CC2)c([O-])c1 ZINC001148506984 904100794 /nfs/dbraw/zinc/10/07/94/904100794.db2.gz JIAOPOOTCUCAGM-WKILWMFISA-N -1 3 382.435 3.537 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1sccc1Br)c1nccs1 ZINC000151485461 904142983 /nfs/dbraw/zinc/14/29/83/904142983.db2.gz HRXWQQQLFOZRSM-LLVKDONJSA-N -1 3 381.342 3.571 20 0 GHADHM COc1cc(NC(=O)c2ccc([O-])c(C(C)=O)c2)c(C)cc1Br ZINC001148664143 904164113 /nfs/dbraw/zinc/16/41/13/904164113.db2.gz JCHBAWQDKCPSOB-UHFFFAOYSA-N -1 3 378.222 3.927 20 0 GHADHM Cc1ccn(C)c1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000578937719 904236639 /nfs/dbraw/zinc/23/66/39/904236639.db2.gz ISJKVXQHHFSSGW-UHFFFAOYSA-N -1 3 385.225 3.598 20 0 GHADHM O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873310 904238191 /nfs/dbraw/zinc/23/81/91/904238191.db2.gz SFAIRCIRZMGHPW-UHFFFAOYSA-N -1 3 384.439 3.817 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCOc2ccccc2C(C)(C)C)c(F)cc1F ZINC001186770598 914794211 /nfs/dbraw/zinc/79/42/11/914794211.db2.gz GIUIVRPEZBBCQN-UHFFFAOYSA-N -1 3 383.460 3.928 20 0 GHADHM CC[C@H](CNC(=O)c1cc([O-])cc(Br)c1)Oc1cccc(F)c1 ZINC001148979871 904271009 /nfs/dbraw/zinc/27/10/09/904271009.db2.gz WSNCOBRTAGDGKQ-OAHLLOKOSA-N -1 3 382.229 3.881 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282721144 904290951 /nfs/dbraw/zinc/29/09/51/904290951.db2.gz HFEFOVCGFGXYBL-UHFFFAOYSA-N -1 3 391.346 3.545 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(OC[C@@H]2CCCO2)c1 ZINC000579266970 904466653 /nfs/dbraw/zinc/46/66/53/904466653.db2.gz MTBYOBFJTCRXHT-INIZCTEOSA-N -1 3 375.852 3.842 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C(=O)Nc1ccccc1 ZINC001186810615 914826650 /nfs/dbraw/zinc/82/66/50/914826650.db2.gz LLCDUKKGLMJOQU-SECBINFHSA-N -1 3 393.317 3.502 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)c(F)c1 ZINC001186828672 914839643 /nfs/dbraw/zinc/83/96/43/914839643.db2.gz SXOVOPRBEXNLSJ-AWEZNQCLSA-N -1 3 379.453 3.659 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(OC(C)C)cc2)sc1Cl ZINC000188040994 904862804 /nfs/dbraw/zinc/86/28/04/904862804.db2.gz USVSKNSYHMFOAC-AWEZNQCLSA-N -1 3 389.926 3.509 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1ccco1 ZINC000188117592 904874442 /nfs/dbraw/zinc/87/44/42/904874442.db2.gz ZKGZOEIXMZPNKK-OAQYLSRUSA-N -1 3 397.452 3.731 20 0 GHADHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C1CC1 ZINC001186884751 914852429 /nfs/dbraw/zinc/85/24/29/914852429.db2.gz JPCVJOWAWKKFTR-OAHLLOKOSA-N -1 3 399.285 3.721 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCSC[C@H]1c1nccs1 ZINC000626495969 905066976 /nfs/dbraw/zinc/06/69/76/905066976.db2.gz XUIVYZDSYZEWJW-LBPRGKRZSA-N -1 3 385.308 3.542 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(CCc4ccccc4)cc3)ccc2N1 ZINC001186927873 914874697 /nfs/dbraw/zinc/87/46/97/914874697.db2.gz RKAOJOOIOWKWEO-UHFFFAOYSA-N -1 3 392.480 3.767 20 0 GHADHM COc1cccc(-c2noc([C@H](C)N[C@H]3CCC[C@@H](C(F)(F)C(=O)[O-])C3)n2)c1 ZINC000901464144 921134423 /nfs/dbraw/zinc/13/44/23/921134423.db2.gz GJHQXTSGHMEYJS-YUTCNCBUSA-N -1 3 395.406 3.675 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCCCC34CCCC4)c(=O)c2c(OC)c1 ZINC000627438834 905567298 /nfs/dbraw/zinc/56/72/98/905567298.db2.gz RZJFLWFZELAPSI-GOSISDBHSA-N -1 3 384.476 3.778 20 0 GHADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000901527151 921205178 /nfs/dbraw/zinc/20/51/78/921205178.db2.gz WLAGYVLCPRFQQU-OAHLLOKOSA-N -1 3 386.452 3.681 20 0 GHADHM CSc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000628430462 906124573 /nfs/dbraw/zinc/12/45/73/906124573.db2.gz XDFAIGPCYZSNIH-UHFFFAOYSA-N -1 3 380.267 3.796 20 0 GHADHM CCN(Cc1cc(Br)ccc1[O-])Cc1nccc(OC)c1OC ZINC000190613594 906175503 /nfs/dbraw/zinc/17/55/03/906175503.db2.gz IATVCEAJWMUHPW-UHFFFAOYSA-N -1 3 381.270 3.589 20 0 GHADHM [O-]c1cncc(-c2nc(-c3ccc(Cl)cc3I)no2)c1 ZINC001212708453 906234303 /nfs/dbraw/zinc/23/43/03/906234303.db2.gz IXXXZCZXYCFDNY-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM COc1cc(OC)c2c(c1)N(C(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CCC2 ZINC000628700312 906258617 /nfs/dbraw/zinc/25/86/17/906258617.db2.gz BKCMDGNUBDOPHS-UHFFFAOYSA-N -1 3 396.418 3.586 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000178843907 906392470 /nfs/dbraw/zinc/39/24/70/906392470.db2.gz MLKOTAYIXSGSIS-UHFFFAOYSA-N -1 3 376.884 3.659 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1)C1CC1 ZINC000629290569 906682046 /nfs/dbraw/zinc/68/20/46/906682046.db2.gz VOVJMLNWNSYCCT-ZDUSSCGKSA-N -1 3 382.707 3.659 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000180739299 906833522 /nfs/dbraw/zinc/83/35/22/906833522.db2.gz MOEYOFIICRFVNQ-UHFFFAOYSA-N -1 3 383.420 3.508 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CCCC34CC4)cs2)c1 ZINC000629829171 907029988 /nfs/dbraw/zinc/02/99/88/907029988.db2.gz CWKLQLQCTZVJBE-AWEZNQCLSA-N -1 3 399.516 3.648 20 0 GHADHM COC(=O)c1cc(Br)c(OC)cc1Nc1c(F)ccc([O-])c1F ZINC001175267569 907478207 /nfs/dbraw/zinc/47/82/07/907478207.db2.gz AERGXNUQPFLXAT-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC000186422206 907922533 /nfs/dbraw/zinc/92/25/33/907922533.db2.gz HOAOBAWVGMFVTJ-UHFFFAOYSA-N -1 3 385.464 3.839 20 0 GHADHM CN(Cc1ccccc1OCc1ccccc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000634012720 908577171 /nfs/dbraw/zinc/57/71/71/908577171.db2.gz QKLQJHJBTNYWMC-UHFFFAOYSA-N -1 3 389.455 3.911 20 0 GHADHM O=C(Nc1c[nH]c2ccc(Br)cc12)c1cc2c(cc1[O-])OCO2 ZINC001177786017 908756288 /nfs/dbraw/zinc/75/62/88/908756288.db2.gz QCXBNTKXAUPDEE-UHFFFAOYSA-N -1 3 375.178 3.617 20 0 GHADHM CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001177875156 908770115 /nfs/dbraw/zinc/77/01/15/908770115.db2.gz MJACIRFWGGIFJH-RBUKOAKNSA-N -1 3 388.556 3.962 20 0 GHADHM C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(c2nc(C(F)(F)F)cs2)[N-]C1=O ZINC000634615864 908782412 /nfs/dbraw/zinc/78/24/12/908782412.db2.gz UJSVDDYTJCFTDR-AWEZNQCLSA-N -1 3 389.786 3.541 20 0 GHADHM CCn1ncnc1CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533052 908795475 /nfs/dbraw/zinc/79/54/75/908795475.db2.gz NUHDWVHIBZXDEU-JTQLQIEISA-N -1 3 387.490 3.850 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1N1CCCC1 ZINC000194542862 908891847 /nfs/dbraw/zinc/89/18/47/908891847.db2.gz RIMOVVALBVLTJU-UHFFFAOYSA-N -1 3 399.516 3.523 20 0 GHADHM [O-]c1cccc(CNCCOc2ccc(C(F)(F)F)cn2)c1Br ZINC001178166036 908918706 /nfs/dbraw/zinc/91/87/06/908918706.db2.gz SALGXZQRVQNRAU-UHFFFAOYSA-N -1 3 391.187 3.737 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCCCC(=O)N1 ZINC000194386807 908940842 /nfs/dbraw/zinc/94/08/42/908940842.db2.gz FHEQHLOBWRSHMC-HNNXBMFYSA-N -1 3 381.457 3.666 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000773735402 908961505 /nfs/dbraw/zinc/96/15/05/908961505.db2.gz JVURUHHIWCCHRA-UHFFFAOYSA-N -1 3 388.508 3.818 20 0 GHADHM C[C@H](COCC1CCCCC1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001178401338 909030071 /nfs/dbraw/zinc/03/00/71/909030071.db2.gz UGLLQXLLFMHMNV-GFCCVEGCSA-N -1 3 378.419 3.522 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCC(F)(F)CN1C(=O)OC(C)(C)C ZINC001178606153 909138989 /nfs/dbraw/zinc/13/89/89/909138989.db2.gz CYTIJFCCMJRWMH-ZDUSSCGKSA-N -1 3 398.406 3.568 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000266563894 909218487 /nfs/dbraw/zinc/21/84/87/909218487.db2.gz WEYBJMDLJHWXDZ-LAUBAEHRSA-N -1 3 382.460 3.557 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CC=Cc2ccc(Br)cc2)[n-]n1 ZINC001179082089 909377399 /nfs/dbraw/zinc/37/73/99/909377399.db2.gz JIGSZYDSXFKYEO-ARJAWSKDSA-N -1 3 392.253 3.779 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CC=Cc2ccc(Br)cc2)n[n-]1 ZINC001179082089 909377425 /nfs/dbraw/zinc/37/74/25/909377425.db2.gz JIGSZYDSXFKYEO-ARJAWSKDSA-N -1 3 392.253 3.779 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)cn1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183915 909399762 /nfs/dbraw/zinc/39/97/62/909399762.db2.gz YPSOWVGUPDCAOU-JTQLQIEISA-N -1 3 377.326 3.502 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636110930 909430992 /nfs/dbraw/zinc/43/09/92/909430992.db2.gz HGSLYUDOTKGFEQ-UHFFFAOYSA-N -1 3 386.452 3.727 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)NCC1(NC(=O)[O-])CCCCC1 ZINC000739542417 909535756 /nfs/dbraw/zinc/53/57/56/909535756.db2.gz QTHBMHMJWWYWQJ-OAHLLOKOSA-N -1 3 375.513 3.699 20 0 GHADHM O=C(CCSc1ccccc1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317791 909536097 /nfs/dbraw/zinc/53/60/97/909536097.db2.gz LMZQAVGFBZTIOW-UHFFFAOYSA-N -1 3 377.897 3.902 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318658 909537664 /nfs/dbraw/zinc/53/76/64/909537664.db2.gz CUOCFJRIWHWFAK-UHFFFAOYSA-N -1 3 375.856 3.579 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318817 909538055 /nfs/dbraw/zinc/53/80/55/909538055.db2.gz GFTVPEHWZQPVKA-INIZCTEOSA-N -1 3 381.476 3.585 20 0 GHADHM COc1ccccc1C1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CCCCC1 ZINC000636321697 909543180 /nfs/dbraw/zinc/54/31/80/909543180.db2.gz VKDGZUHGBCGGMP-UHFFFAOYSA-N -1 3 395.503 3.977 20 0 GHADHM O=C(Cc1ccccc1OC1CCCC1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321577 909543214 /nfs/dbraw/zinc/54/32/14/909543214.db2.gz IMSMJEOUQOSRHT-UHFFFAOYSA-N -1 3 381.476 3.630 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sccc3CN(C)C)c2)n1 ZINC000268059730 909755739 /nfs/dbraw/zinc/75/57/39/909755739.db2.gz ZWJZELAGUMVKOL-UHFFFAOYSA-N -1 3 382.489 3.787 20 0 GHADHM Cn1nnnc1-c1ccccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001179899931 909783815 /nfs/dbraw/zinc/78/38/15/909783815.db2.gz PAWKEKWLTHUDKT-UHFFFAOYSA-N -1 3 387.399 3.627 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000268302077 909827015 /nfs/dbraw/zinc/82/70/15/909827015.db2.gz VASFKDHJTHQYKP-LSDHHAIUSA-N -1 3 399.491 3.706 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)c(=O)[n-]1 ZINC000637541571 909849116 /nfs/dbraw/zinc/84/91/16/909849116.db2.gz KDQICJIOVMINBE-UHFFFAOYSA-N -1 3 391.475 3.570 20 0 GHADHM COc1ccc(C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc2)cc1 ZINC001180013065 909881910 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GHADHM COC(=O)C1(C)CCC(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])CC1 ZINC001187186476 915077400 /nfs/dbraw/zinc/07/74/00/915077400.db2.gz GCQOWAPLCFUIML-UHFFFAOYSA-N -1 3 391.464 3.656 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2ccccc2)cs1)c1cc(F)c(F)c(F)c1 ZINC000173026939 915091984 /nfs/dbraw/zinc/09/19/84/915091984.db2.gz VUEVZQCHAKEDKU-UHFFFAOYSA-N -1 3 384.404 3.706 20 0 GHADHM CCOC(=O)c1cnoc1[N-]C(=O)Nc1ccc(Br)cc1Cl ZINC001187309654 915187416 /nfs/dbraw/zinc/18/74/16/915187416.db2.gz FRMULCBTDDPAAE-UHFFFAOYSA-N -1 3 388.605 3.911 20 0 GHADHM O=C(Nc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc(Br)cc1Cl ZINC001187309951 915187462 /nfs/dbraw/zinc/18/74/62/915187462.db2.gz PZMVRNFIJZKKBE-UHFFFAOYSA-N -1 3 375.635 3.531 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(-c2noc(C(C)C)n2)cc1 ZINC001187510984 915295967 /nfs/dbraw/zinc/29/59/67/915295967.db2.gz CECABCUCZDJCFJ-UHFFFAOYSA-N -1 3 399.378 3.744 20 0 GHADHM CC(C)(C)S(=O)(=O)C[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001187578558 915373995 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GHADHM O=S(=O)([N-][C@@H](c1ccncc1Cl)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188098167 915755901 /nfs/dbraw/zinc/75/59/01/915755901.db2.gz KOSZQDMKLAMLHY-CYBMUJFWSA-N -1 3 392.695 3.866 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188098436 915756022 /nfs/dbraw/zinc/75/60/22/915756022.db2.gz YIINGBFSCLZWOA-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC001188449067 915972647 /nfs/dbraw/zinc/97/26/47/915972647.db2.gz ZFOFOSNZSPZSQR-UHFFFAOYSA-N -1 3 388.395 3.532 20 0 GHADHM CCc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2s1 ZINC000649029355 915997643 /nfs/dbraw/zinc/99/76/43/915997643.db2.gz JEBUVSNQGZWWKZ-MRXNPFEDSA-N -1 3 395.484 3.808 20 0 GHADHM CC[C@H](C)N1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686875 916004632 /nfs/dbraw/zinc/00/46/32/916004632.db2.gz RUVKXDFTZDIFGL-XOBRGWDASA-N -1 3 378.900 3.689 20 0 GHADHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001188615742 916058822 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GHADHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001189210278 916463304 /nfs/dbraw/zinc/46/33/04/916463304.db2.gz IXBVSHBLOZYYFB-UYAOXDASSA-N -1 3 393.549 3.538 20 0 GHADHM [O-]C(Nc1ccn(-c2ccccc2Cl)n1)=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000649846423 916471667 /nfs/dbraw/zinc/47/16/67/916471667.db2.gz HZZIXQYHHVDENN-RYUDHWBXSA-N -1 3 387.789 3.634 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1Cl ZINC001189234895 916483849 /nfs/dbraw/zinc/48/38/49/916483849.db2.gz FMKSXMBRXKYEEY-UHFFFAOYSA-N -1 3 381.837 3.555 20 0 GHADHM Cc1cc(NC([O-])=C(C[C@@H]2CCCO2)C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000649901067 916509579 /nfs/dbraw/zinc/50/95/79/916509579.db2.gz FTCHGHKMKQHDFT-HOTGVXAUSA-N -1 3 381.398 3.597 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(-c2ccc(F)cc2)n1 ZINC000294026706 916537330 /nfs/dbraw/zinc/53/73/30/916537330.db2.gz FLJPOWZRLZOUIJ-UHFFFAOYSA-N -1 3 390.465 3.947 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cccc(C)c1C ZINC001189499692 916681053 /nfs/dbraw/zinc/68/10/53/916681053.db2.gz WDEKBZHUUFCXFA-OAQYLSRUSA-N -1 3 399.512 3.814 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ncc(C(F)(F)F)cc1Cl ZINC001189644383 916768672 /nfs/dbraw/zinc/76/86/72/916768672.db2.gz UOPTVYORPXVOEM-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc(Cl)c1OC ZINC000650217381 916809426 /nfs/dbraw/zinc/80/94/26/916809426.db2.gz BEFNVROMDIECDT-UHFFFAOYSA-N -1 3 385.869 3.945 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 ZINC000294560301 916865316 /nfs/dbraw/zinc/86/53/16/916865316.db2.gz DPYBBADTPHMTMA-IAGOWNOFSA-N -1 3 383.448 3.592 20 0 GHADHM Nc1cccc(-c2cccc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])n2)n1 ZINC001189748015 916869851 /nfs/dbraw/zinc/86/98/51/916869851.db2.gz CSZZWKWEYSGLDR-UHFFFAOYSA-N -1 3 390.321 3.582 20 0 GHADHM O=C(Nc1csc(Br)n1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189749805 916871780 /nfs/dbraw/zinc/87/17/80/916871780.db2.gz XDVFMHYELCLOFA-UHFFFAOYSA-N -1 3 383.145 3.762 20 0 GHADHM COC(=O)[C@@H]1CCc2cc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])ccc21 ZINC001189766769 916904257 /nfs/dbraw/zinc/90/42/57/916904257.db2.gz QNKUDGHQZUOLIV-CYBMUJFWSA-N -1 3 395.333 3.746 20 0 GHADHM COc1ncccc1[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001189774951 916910220 /nfs/dbraw/zinc/91/02/20/916910220.db2.gz KROLFTKLYRIPPI-AWEZNQCLSA-N -1 3 382.338 3.576 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000650503909 917039045 /nfs/dbraw/zinc/03/90/45/917039045.db2.gz CRKRKLVWVNFUMH-QFIPXVFZSA-N -1 3 394.515 3.587 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000650505425 917040234 /nfs/dbraw/zinc/04/02/34/917040234.db2.gz CSKMXSRTDDVYJV-NQIIRXRSSA-N -1 3 376.472 3.502 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC001190205276 917196548 /nfs/dbraw/zinc/19/65/48/917196548.db2.gz OBVHBVAWRCRCEO-CYBMUJFWSA-N -1 3 380.338 3.808 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)nc1Cl ZINC001190263760 917218806 /nfs/dbraw/zinc/21/88/06/917218806.db2.gz AJWUEBNYCAOFIP-UHFFFAOYSA-N -1 3 389.786 3.714 20 0 GHADHM O=S(=O)([N-]c1cc(F)nc(F)c1Cl)c1cc(C(F)(F)F)ccc1F ZINC001190296246 917252530 /nfs/dbraw/zinc/25/25/30/917252530.db2.gz QSBWPXOYFGZDFL-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM O=S(=O)([N-]Cc1ccnc2ccccc12)c1cc(C(F)(F)F)ccc1F ZINC001190328287 917262889 /nfs/dbraw/zinc/26/28/89/917262889.db2.gz LUBSPWDUTLGUEX-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(C(F)(F)F)ccc1F ZINC001190339360 917270621 /nfs/dbraw/zinc/27/06/21/917270621.db2.gz QVEYPHYRGZJQNJ-IINYFYTJSA-N -1 3 395.324 3.957 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(Cl)c(F)c1)c1cccc(Cl)c1F ZINC001190363792 917287267 /nfs/dbraw/zinc/28/72/67/917287267.db2.gz BNDVOUFBLMXGBL-UHFFFAOYSA-N -1 3 382.215 3.629 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1cccc(Br)c1 ZINC001190401578 917302166 /nfs/dbraw/zinc/30/21/66/917302166.db2.gz LEEGKYWICNVRHK-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2ccc3ccccc3c2Br)co1 ZINC001190404292 917302932 /nfs/dbraw/zinc/30/29/32/917302932.db2.gz YIPDHXJYQOROCF-UHFFFAOYSA-N -1 3 395.278 3.631 20 0 GHADHM Cc1cc(Br)cc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190412227 917320762 /nfs/dbraw/zinc/32/07/62/917320762.db2.gz CKZHHRIJTNQLJE-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC001190448376 917350183 /nfs/dbraw/zinc/35/01/83/917350183.db2.gz YEVWRJJIAAHYFR-QGZVFWFLSA-N -1 3 383.554 3.951 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000651539709 917651372 /nfs/dbraw/zinc/65/13/72/917651372.db2.gz LLKSQPXJIJNVTG-GHMZBOCLSA-N -1 3 396.203 3.519 20 0 GHADHM CC(C)(C)c1ccc(CN2CCN(C(=O)c3ccc(=O)[n-]c3Cl)CC2)cc1 ZINC001190910440 917658294 /nfs/dbraw/zinc/65/82/94/917658294.db2.gz RGDBEOJKDSWVRJ-UHFFFAOYSA-N -1 3 387.911 3.696 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000651584099 917668700 /nfs/dbraw/zinc/66/87/00/917668700.db2.gz BBQMYJRCHMJOPY-GFCCVEGCSA-N -1 3 383.901 3.951 20 0 GHADHM C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001191053809 917727301 /nfs/dbraw/zinc/72/73/01/917727301.db2.gz JOLZULIFWYTRIK-JOYOIKCWSA-N -1 3 399.319 3.600 20 0 GHADHM Cc1noc(C)c1CSCC(=O)Nc1c([O-])ccc(Br)c1C ZINC000296028575 917765340 /nfs/dbraw/zinc/76/53/40/917765340.db2.gz LSRQCKKPNRWKGL-UHFFFAOYSA-N -1 3 385.283 3.940 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1F ZINC001191370263 917973264 /nfs/dbraw/zinc/97/32/64/917973264.db2.gz UBHLSJSLRAVKSG-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)CC2CCCC2)c(NC(=O)OC(C)(C)C)n1 ZINC001191493553 918022220 /nfs/dbraw/zinc/02/22/20/918022220.db2.gz FTPKXBDUPZRGSH-UHFFFAOYSA-N -1 3 399.513 3.759 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC001191803420 918230795 /nfs/dbraw/zinc/23/07/95/918230795.db2.gz FXWQJQBYACJYLG-UHFFFAOYSA-N -1 3 382.347 3.758 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c(Cl)c1 ZINC001191905053 918295944 /nfs/dbraw/zinc/29/59/44/918295944.db2.gz JNSCGKCNMYLFGB-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc1C ZINC001191904812 918295984 /nfs/dbraw/zinc/29/59/84/918295984.db2.gz DDEFPSCOXVSRAR-UHFFFAOYSA-N -1 3 385.844 3.824 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c(F)c1 ZINC001192085424 918382052 /nfs/dbraw/zinc/38/20/52/918382052.db2.gz WJIWSRNCELHRNQ-UHFFFAOYSA-N -1 3 398.459 3.962 20 0 GHADHM CN(Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1)C(=O)OC(C)(C)C ZINC000296855826 918853848 /nfs/dbraw/zinc/85/38/48/918853848.db2.gz UGJDTADEQVWACT-MRXNPFEDSA-N -1 3 379.457 3.633 20 0 GHADHM CN(Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1)C(=O)OC(C)(C)C ZINC000296855826 918853865 /nfs/dbraw/zinc/85/38/65/918853865.db2.gz UGJDTADEQVWACT-MRXNPFEDSA-N -1 3 379.457 3.633 20 0 GHADHM CCCOc1ccc(C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000015476914 919377257 /nfs/dbraw/zinc/37/72/57/919377257.db2.gz LUZLSYPNDMSWJA-UHFFFAOYSA-N -1 3 397.258 3.866 20 0 GHADHM CC(C)(CNCc1nc(CC(=O)[O-])cs1)c1ccc(Br)cc1 ZINC000900046567 919770591 /nfs/dbraw/zinc/77/05/91/919770591.db2.gz OJOUYAFWSKXMTD-UHFFFAOYSA-N -1 3 383.311 3.600 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCCc1nc(C(=O)[O-])c(C)s1 ZINC000900059693 919785035 /nfs/dbraw/zinc/78/50/35/919785035.db2.gz RVUYUKQMEQNRAA-UHFFFAOYSA-N -1 3 390.896 3.630 20 0 GHADHM C/C(=C\c1ccccc1OC(F)F)CN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073938 919805698 /nfs/dbraw/zinc/80/56/98/919805698.db2.gz OCMRCJNCJRUSGH-TZIYXEQSSA-N -1 3 377.391 3.711 20 0 GHADHM O=C([O-])C[C@H]1COCC[C@@H]1NCc1sc(Sc2ccccc2)nc1Cl ZINC000900074557 919807060 /nfs/dbraw/zinc/80/70/60/919807060.db2.gz VOPNBLWUOUVZSR-AAEUAGOBSA-N -1 3 398.937 3.917 20 0 GHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)N[C@@H](CN(C)C)C(=O)[O-] ZINC000900332693 920198032 /nfs/dbraw/zinc/19/80/32/920198032.db2.gz FJBSFYXMYZRSOP-KRWDZBQOSA-N -1 3 379.526 3.556 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000800505616 920210957 /nfs/dbraw/zinc/21/09/57/920210957.db2.gz MIHDBQXRPXVZPN-UHFFFAOYSA-N -1 3 386.383 3.688 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000800505616 920210974 /nfs/dbraw/zinc/21/09/74/920210974.db2.gz MIHDBQXRPXVZPN-UHFFFAOYSA-N -1 3 386.383 3.688 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800505616 920210990 /nfs/dbraw/zinc/21/09/90/920210990.db2.gz MIHDBQXRPXVZPN-UHFFFAOYSA-N -1 3 386.383 3.688 20 0 GHADHM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900468600 920328714 /nfs/dbraw/zinc/32/87/14/920328714.db2.gz RXOVRGDNXHUTAO-UHFFFAOYSA-N -1 3 390.896 3.519 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1c(F)cccc1F ZINC000800901558 920581999 /nfs/dbraw/zinc/58/19/99/920581999.db2.gz UZENHIHLKDYLIV-SECBINFHSA-N -1 3 385.819 3.787 20 0 GHADHM O=C([O-])c1nn(-c2ccccc2)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000902342384 922104044 /nfs/dbraw/zinc/10/40/44/922104044.db2.gz KACJHUXKCXVMMY-UHFFFAOYSA-N -1 3 389.455 3.592 20 0 GHADHM O=C(c1ccc(-c2cccc3cccnc32)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000367591984 922218295 /nfs/dbraw/zinc/21/82/95/922218295.db2.gz AUIRYBGRDGNOAS-UHFFFAOYSA-N -1 3 382.423 3.596 20 0 GHADHM CCOC1CC(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000803282189 922852396 /nfs/dbraw/zinc/85/23/96/922852396.db2.gz HIDNTMKAXHLQRZ-VYHPPPRESA-N -1 3 397.471 3.612 20 0 GHADHM CSc1ccc(Oc2ccc(F)cc2CN(C)C[C@](C)(O)C(=O)[O-])cc1 ZINC000903606509 923121693 /nfs/dbraw/zinc/12/16/93/923121693.db2.gz BOVXOKYAXATLDP-IBGZPJMESA-N -1 3 379.453 3.607 20 0 GHADHM CO[C@H]1CCN(Cc2cc(Br)c3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC000903609126 923124205 /nfs/dbraw/zinc/12/42/05/923124205.db2.gz UGTOFNPSBYNKGB-YOEHRIQHSA-N -1 3 378.266 3.666 20 0 GHADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903673696 923184036 /nfs/dbraw/zinc/18/40/36/923184036.db2.gz DTXNPJKGCWXPIU-BEFAXECRSA-N -1 3 387.549 3.882 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903689255 923204371 /nfs/dbraw/zinc/20/43/71/923204371.db2.gz FDYBOJOMARALOS-IBGZPJMESA-N -1 3 375.490 3.791 20 0 GHADHM Cc1csc(C[C@@H]2CCN(Cc3c(Br)cccc3C(=O)[O-])C2)n1 ZINC000903935338 923409867 /nfs/dbraw/zinc/40/98/67/923409867.db2.gz JJHWOXIMHQFIHD-LBPRGKRZSA-N -1 3 395.322 3.977 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@@H]1c1cccc(Cl)c1 ZINC000677212223 924286376 /nfs/dbraw/zinc/28/63/76/924286376.db2.gz PUAJJXQPAWUIDM-GUYCJALGSA-N -1 3 379.243 3.857 20 0 GHADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC000678612932 924839653 /nfs/dbraw/zinc/83/96/53/924839653.db2.gz SOHWZJPHHJSQQP-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000410115563 925329024 /nfs/dbraw/zinc/32/90/24/925329024.db2.gz LVONMHMOGLZKNX-UHFFFAOYSA-N -1 3 391.880 3.626 20 0 GHADHM CON(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)[C@H]1CCCOc2ccccc21 ZINC000372334973 925343139 /nfs/dbraw/zinc/34/31/39/925343139.db2.gz TVRZPJMVDQYWCS-SFHVURJKSA-N -1 3 396.418 3.893 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1nc2c(cccc2C)o1 ZINC000410325419 925533903 /nfs/dbraw/zinc/53/39/03/925533903.db2.gz YMCSHDMGUBPUHQ-UHFFFAOYSA-N -1 3 388.420 3.851 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccccc2OCCn2ccnc2)c1 ZINC000410337617 925553258 /nfs/dbraw/zinc/55/32/58/925553258.db2.gz AGKKYHBSFRULAR-UHFFFAOYSA-N -1 3 385.489 3.521 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001137425919 925635794 /nfs/dbraw/zinc/63/57/94/925635794.db2.gz RVMQQAZZJQJNPH-ZDUSSCGKSA-N -1 3 399.434 3.714 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)c1cnccn1 ZINC000681000244 925686638 /nfs/dbraw/zinc/68/66/38/925686638.db2.gz KOYHDUQTOJNQAB-SNVBAGLBSA-N -1 3 384.852 3.818 20 0 GHADHM CCCCC[C@@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)C(C)C ZINC000373070450 925842518 /nfs/dbraw/zinc/84/25/18/925842518.db2.gz NWWHLPNRPXNPNW-MRXNPFEDSA-N -1 3 378.517 3.540 20 0 GHADHM CCCCC[C@@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)C(C)C ZINC000373070450 925842525 /nfs/dbraw/zinc/84/25/25/925842525.db2.gz NWWHLPNRPXNPNW-MRXNPFEDSA-N -1 3 378.517 3.540 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000373420255 926102739 /nfs/dbraw/zinc/10/27/39/926102739.db2.gz XXTLTJBJOYATIG-UHFFFAOYSA-N -1 3 394.796 3.720 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC000725829939 926461410 /nfs/dbraw/zinc/46/14/10/926461410.db2.gz MAKYLFRVUBGZIV-UHFFFAOYSA-N -1 3 379.696 3.953 20 0 GHADHM CC(=O)c1ccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1[O-] ZINC000411615948 926557946 /nfs/dbraw/zinc/55/79/46/926557946.db2.gz CZVPCXYDEBESIE-UHFFFAOYSA-N -1 3 395.484 3.603 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1[O-] ZINC000412133657 927133707 /nfs/dbraw/zinc/13/37/07/927133707.db2.gz SJAZUQMDWBVRCA-UHFFFAOYSA-N -1 3 397.431 3.647 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412336124 927347172 /nfs/dbraw/zinc/34/71/72/927347172.db2.gz JBJQVWKJYJJEFW-JTQLQIEISA-N -1 3 390.203 3.820 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)N=c3[nH][n-]cc3Br)CCC2)cc1 ZINC000412338490 927351081 /nfs/dbraw/zinc/35/10/81/927351081.db2.gz APZNYOKKRKYXHL-UHFFFAOYSA-N -1 3 392.297 3.689 20 0 GHADHM O=C(COC(=O)c1n[n-]c(-c2ccccc2)c1Br)Cc1ccccc1 ZINC000750807149 927865208 /nfs/dbraw/zinc/86/52/08/927865208.db2.gz BMNKCJAANDTPSY-UHFFFAOYSA-N -1 3 399.244 3.808 20 0 GHADHM CCc1cccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1 ZINC000751201832 928072759 /nfs/dbraw/zinc/07/27/59/928072759.db2.gz DOMPPVAVKIDEMW-UHFFFAOYSA-N -1 3 379.791 3.622 20 0 GHADHM CCCn1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1=O ZINC000751210715 928073729 /nfs/dbraw/zinc/07/37/29/928073729.db2.gz JHUJXPMJGKJIQR-UHFFFAOYSA-N -1 3 382.894 3.927 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1F ZINC000751357178 928152795 /nfs/dbraw/zinc/15/27/95/928152795.db2.gz FXCAGQFUYJQMSA-GFCCVEGCSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1Cl ZINC000751429844 928188899 /nfs/dbraw/zinc/18/88/99/928188899.db2.gz ZQHZCCDVMKKEEY-HNNXBMFYSA-N -1 3 383.828 3.546 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)c1c(F)cccc1F ZINC000751464166 928204284 /nfs/dbraw/zinc/20/42/84/928204284.db2.gz BZLLSZCKICZQAW-CJNGLKHVSA-N -1 3 393.814 3.548 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ccc(N2CCCC2)cc1 ZINC000751731614 928353409 /nfs/dbraw/zinc/35/34/09/928353409.db2.gz LRQRXBFEISBRIT-UHFFFAOYSA-N -1 3 392.814 3.580 20 0 GHADHM COc1ccc(-c2noc(COC(=O)c3cc(F)cc(Cl)c3[O-])n2)cc1 ZINC000751735049 928355601 /nfs/dbraw/zinc/35/56/01/928355601.db2.gz OFIWDZICLUPHNB-UHFFFAOYSA-N -1 3 378.743 3.600 20 0 GHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000467078989 928671840 /nfs/dbraw/zinc/67/18/40/928671840.db2.gz LBUGXUYJFIQTFJ-UHFFFAOYSA-N -1 3 377.462 3.684 20 0 GHADHM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000467086341 928681080 /nfs/dbraw/zinc/68/10/80/928681080.db2.gz SZDAHTKQODWQRJ-KRWDZBQOSA-N -1 3 385.489 3.551 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3cncnc3-c3ccccc3)n2)cc1 ZINC000544022001 928698697 /nfs/dbraw/zinc/69/86/97/928698697.db2.gz YBZHRCHRQCRBHI-UHFFFAOYSA-N -1 3 389.440 3.923 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(F)cccc2SC)cc1OC ZINC000467107068 928705274 /nfs/dbraw/zinc/70/52/74/928705274.db2.gz YAOLTEPOCQAPLV-UHFFFAOYSA-N -1 3 398.481 3.570 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c(=O)[n-]1 ZINC000544122158 928833091 /nfs/dbraw/zinc/83/30/91/928833091.db2.gz SWEQZHACMXIHKH-AWEZNQCLSA-N -1 3 378.432 3.843 20 0 GHADHM CC(C)OCCCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000544327256 929056274 /nfs/dbraw/zinc/05/62/74/929056274.db2.gz PCDUPMZJLJPDKE-UHFFFAOYSA-N -1 3 384.249 3.544 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(N)cc1[O-] ZINC000753042613 929170060 /nfs/dbraw/zinc/17/00/60/929170060.db2.gz XSGCVBXRINNVFO-UHFFFAOYSA-N -1 3 396.274 3.772 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2CCCCC2)no1 ZINC000544545237 929273870 /nfs/dbraw/zinc/27/38/70/929273870.db2.gz PNAWDNWIRICZOA-GFCCVEGCSA-N -1 3 383.901 3.885 20 0 GHADHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467720742 929337796 /nfs/dbraw/zinc/33/77/96/929337796.db2.gz PGUGABPQFMWHII-GTNSWQLSSA-N -1 3 396.397 3.624 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3c[nH]c4ncccc34)nc(=O)c2c1C ZINC000757157087 929664781 /nfs/dbraw/zinc/66/47/81/929664781.db2.gz NJLRMYMTLGQJEV-JTQLQIEISA-N -1 3 382.445 3.737 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000545909703 929665116 /nfs/dbraw/zinc/66/51/16/929665116.db2.gz LDKSWGGZOQEPFO-LSDHHAIUSA-N -1 3 398.937 3.699 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@H](OC(C)C)C3(C)C)cc2)cc(=O)[n-]1 ZINC000545913503 929668688 /nfs/dbraw/zinc/66/86/88/929668688.db2.gz FFRLQDVOLAQQSB-ROUUACIJSA-N -1 3 384.480 3.871 20 0 GHADHM CCCCOC(=O)[C@@H](C)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757724750 929783641 /nfs/dbraw/zinc/78/36/41/929783641.db2.gz DYTPDVHKRMAJTI-LLVKDONJSA-N -1 3 395.253 3.728 20 0 GHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000469393507 929845531 /nfs/dbraw/zinc/84/55/31/929845531.db2.gz OCBYZRULEIRIAO-XOBRGWDASA-N -1 3 375.415 3.982 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000469416140 929866989 /nfs/dbraw/zinc/86/69/89/929866989.db2.gz MPDWTEIJPMAYKC-UHFFFAOYSA-N -1 3 383.379 3.612 20 0 GHADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469427806 929876260 /nfs/dbraw/zinc/87/62/60/929876260.db2.gz IINMKIULDYLRDU-IYJVBRSBSA-N -1 3 377.481 3.811 20 0 GHADHM CCCCn1ncc([N-]S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)c1C ZINC000758164947 929954753 /nfs/dbraw/zinc/95/47/53/929954753.db2.gz WEIKOEFJXMFSAF-UHFFFAOYSA-N -1 3 375.494 3.729 20 0 GHADHM CC(C)N(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000469648340 930055006 /nfs/dbraw/zinc/05/50/06/930055006.db2.gz BDJBSNVPXGFYJW-UHFFFAOYSA-N -1 3 383.673 3.957 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)nc2c3ccccc3oc21 ZINC000758835199 930185090 /nfs/dbraw/zinc/18/50/90/930185090.db2.gz TXWLIMNLVJMEQJ-DZGCQCFKSA-N -1 3 379.416 3.763 20 0 GHADHM COc1ccc(/C=C\C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000759708425 930460356 /nfs/dbraw/zinc/46/03/56/930460356.db2.gz SWIODBBSPSVXTP-YWEYNIOJSA-N -1 3 378.222 3.824 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)CNc3ccccc3)cc2)cc(=O)[n-]1 ZINC000470436022 930613398 /nfs/dbraw/zinc/61/33/98/930613398.db2.gz AGCPCGZUEXXGIA-AWEZNQCLSA-N -1 3 377.448 3.780 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc(OC)c1[O-] ZINC000547270211 930866873 /nfs/dbraw/zinc/86/68/73/930866873.db2.gz POXZQCRHOALQLS-CVEARBPZSA-N -1 3 375.465 3.554 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c1 ZINC000470737905 930871414 /nfs/dbraw/zinc/87/14/14/930871414.db2.gz SEJVVDJZAKZHRP-UHFFFAOYSA-N -1 3 396.365 3.520 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000781673770 930935087 /nfs/dbraw/zinc/93/50/87/930935087.db2.gz FSDWSRUGFDRHGQ-CYBMUJFWSA-N -1 3 395.452 3.902 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000781841774 930998002 /nfs/dbraw/zinc/99/80/02/930998002.db2.gz IXRILELBABOLAN-UHFFFAOYSA-N -1 3 377.356 3.763 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)c(F)c2)c(C)c1 ZINC000782922322 931366892 /nfs/dbraw/zinc/36/68/92/931366892.db2.gz QEOOMXHNPXKJSX-UHFFFAOYSA-N -1 3 382.413 3.512 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)cc(Br)c1 ZINC000782942163 931370123 /nfs/dbraw/zinc/37/01/23/931370123.db2.gz NEBRBSZWNQHUFJ-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000557542762 931531794 /nfs/dbraw/zinc/53/17/94/931531794.db2.gz JTVDILJPNIIONU-UHFFFAOYSA-N -1 3 389.455 3.611 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3OCC(F)F)c[n-]c12 ZINC000557575296 931553521 /nfs/dbraw/zinc/55/35/21/931553521.db2.gz LSFOPHKTGQUBMJ-UHFFFAOYSA-N -1 3 376.334 3.872 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC000783662788 931611424 /nfs/dbraw/zinc/61/14/24/931611424.db2.gz KYCLCCCDZBYDQQ-QWHCGFSZSA-N -1 3 398.887 3.510 20 0 GHADHM C[C@H](CO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000783662168 931611627 /nfs/dbraw/zinc/61/16/27/931611627.db2.gz DYGGFOVAMHTQSN-LLVKDONJSA-N -1 3 391.295 3.887 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000558463573 932016310 /nfs/dbraw/zinc/01/63/10/932016310.db2.gz ATGIENYJTPZRFG-UHFFFAOYSA-N -1 3 399.292 3.930 20 0 GHADHM COc1ccc(CN(C(=O)N=c2cc3ccccn3[n-]2)[C@H](C)C2CC2)c(OC)c1 ZINC000558464520 932017106 /nfs/dbraw/zinc/01/71/06/932017106.db2.gz ZCRLRLPWPXPBQR-OAHLLOKOSA-N -1 3 394.475 3.606 20 0 GHADHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3cc(OC)cc(OC)c3)cc2C1 ZINC000558600159 932098772 /nfs/dbraw/zinc/09/87/72/932098772.db2.gz YEYROEKFAMWBPZ-UHFFFAOYSA-N -1 3 390.505 3.620 20 0 GHADHM CC(F)(F)CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000797226427 932227012 /nfs/dbraw/zinc/22/70/12/932227012.db2.gz JENYUNYBUFHCKQ-UHFFFAOYSA-N -1 3 387.379 3.829 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000559067346 932408781 /nfs/dbraw/zinc/40/87/81/932408781.db2.gz IMWROIVKPIXVJQ-WFASDCNBSA-N -1 3 391.480 3.800 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1F ZINC000559139610 932459172 /nfs/dbraw/zinc/45/91/72/932459172.db2.gz GLOPAVNWNSYPIA-LBPRGKRZSA-N -1 3 395.406 3.638 20 0 GHADHM CCn1c(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2ccccc21 ZINC000559159094 932471355 /nfs/dbraw/zinc/47/13/55/932471355.db2.gz DIUDZODPMPXABQ-INIZCTEOSA-N -1 3 375.831 3.634 20 0 GHADHM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000626317053 932547965 /nfs/dbraw/zinc/54/79/65/932547965.db2.gz FZYDCFGPHINVGH-CSPWOOARSA-N -1 3 395.525 3.667 20 0 GHADHM COc1ccc(C(=O)CCC(=O)[N-]OCc2ccccc2OC)c(Cl)c1 ZINC000799096045 932878258 /nfs/dbraw/zinc/87/82/58/932878258.db2.gz XYPHYIHNMJUQKV-UHFFFAOYSA-N -1 3 377.824 3.568 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)c(=O)[n-]1 ZINC000928396024 932967316 /nfs/dbraw/zinc/96/73/16/932967316.db2.gz RFHAMXYMEUTIGJ-CQSZACIVSA-N -1 3 393.409 3.554 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(F)c1Br ZINC000560273664 933178353 /nfs/dbraw/zinc/17/83/53/933178353.db2.gz LNXUBFVYSQJTNO-UHFFFAOYSA-N -1 3 396.166 3.931 20 0 GHADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000560413231 933246648 /nfs/dbraw/zinc/24/66/48/933246648.db2.gz QPOXFJJPAFBLMR-UHFFFAOYSA-N -1 3 392.893 3.528 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1SCc1ccccc1 ZINC000929427781 933417733 /nfs/dbraw/zinc/41/77/33/933417733.db2.gz MKFFXKAIAPGJRA-MRXNPFEDSA-N -1 3 382.489 3.612 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC001116313061 933473925 /nfs/dbraw/zinc/47/39/25/933473925.db2.gz NECOUFQWEVVKRD-QGZVFWFLSA-N -1 3 380.460 3.621 20 0 GHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc2[nH]1 ZINC001116388181 933529401 /nfs/dbraw/zinc/52/94/01/933529401.db2.gz AKQVEMXAHJSBDD-UHFFFAOYSA-N -1 3 398.488 3.591 20 0 GHADHM Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC001116409439 933542530 /nfs/dbraw/zinc/54/25/30/933542530.db2.gz WEJYCPKMXUQTKB-QGZVFWFLSA-N -1 3 387.455 3.692 20 0 GHADHM CCc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1[O-] ZINC001116446826 933564498 /nfs/dbraw/zinc/56/44/98/933564498.db2.gz KGAKZOYKILWJRE-UHFFFAOYSA-N -1 3 387.867 3.598 20 0 GHADHM O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc([O-])c1F ZINC001116657793 933688872 /nfs/dbraw/zinc/68/88/72/933688872.db2.gz NTJXUDPETYKXKU-UHFFFAOYSA-N -1 3 380.375 3.692 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCN(C4CCC4)C[C@H](C)C3)n2)cc1 ZINC000561535245 934248838 /nfs/dbraw/zinc/24/88/38/934248838.db2.gz VQHWPMATYMRYPW-KRWDZBQOSA-N -1 3 396.535 3.648 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000561560597 934273825 /nfs/dbraw/zinc/27/38/25/934273825.db2.gz APMACPMVHABHGC-JTQLQIEISA-N -1 3 394.707 3.701 20 0 GHADHM CCC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)sc2C1 ZINC000561634671 934327202 /nfs/dbraw/zinc/32/72/02/934327202.db2.gz LVQLPHBCUBQJDL-CYBMUJFWSA-N -1 3 388.537 3.978 20 0 GHADHM CC(C)(C)c1csc(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC001119836534 934405329 /nfs/dbraw/zinc/40/53/29/934405329.db2.gz JFBWWBISPGHFGQ-UHFFFAOYSA-N -1 3 391.443 3.533 20 0 GHADHM CCCCCn1nc(C)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120615490 934481511 /nfs/dbraw/zinc/48/15/11/934481511.db2.gz PNJTTWIAICIABT-UHFFFAOYSA-N -1 3 398.916 3.659 20 0 GHADHM Cn1ncc(C2CC2)c1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001120861466 934527061 /nfs/dbraw/zinc/52/70/61/934527061.db2.gz CSUFIWUHSYRRJK-UHFFFAOYSA-N -1 3 382.489 3.710 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3ccc(C(C)C)cc3)n2C)cc(=O)[n-]1 ZINC001121368910 934639191 /nfs/dbraw/zinc/63/91/91/934639191.db2.gz QLZMOXHQQKIGCB-SFHVURJKSA-N -1 3 378.480 3.751 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N(C)CC(F)F)cc1 ZINC000931617199 934645834 /nfs/dbraw/zinc/64/58/34/934645834.db2.gz IGJYFOQLYXMITF-UHFFFAOYSA-N -1 3 397.447 3.833 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1[O-] ZINC000562332791 934826173 /nfs/dbraw/zinc/82/61/73/934826173.db2.gz YVTXQXHIYDKGSO-CYBMUJFWSA-N -1 3 383.370 3.810 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cnn(-c2ccccc2Br)c1 ZINC001137608791 935624273 /nfs/dbraw/zinc/62/42/73/935624273.db2.gz FWGZMHPCBYLVFM-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)nn1-c1ccccc1 ZINC001137911464 935864875 /nfs/dbraw/zinc/86/48/75/935864875.db2.gz NSKSMXHNPMPAAV-UHFFFAOYSA-N -1 3 380.354 3.553 20 0 GHADHM COc1ccccc1[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000830138388 935905583 /nfs/dbraw/zinc/90/55/83/935905583.db2.gz AEGCJVBAPWYJOA-MRXNPFEDSA-N -1 3 376.456 3.947 20 0 GHADHM C/C(=C\C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccco1 ZINC000830140716 935905914 /nfs/dbraw/zinc/90/59/14/935905914.db2.gz GXVLJJBIBKEEEK-ACCUITESSA-N -1 3 388.851 3.919 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCOc3ccccc32)c1 ZINC001573279623 946646794 /nfs/dbraw/zinc/64/67/94/946646794.db2.gz KNSGYEYGGAHGRO-AWEZNQCLSA-N -1 3 386.253 3.955 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCOc3ccccc32)c1 ZINC001573279623 946646805 /nfs/dbraw/zinc/64/68/05/946646805.db2.gz KNSGYEYGGAHGRO-AWEZNQCLSA-N -1 3 386.253 3.955 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)cc1CNCc1cc2ccccc2o1 ZINC001573280360 946658708 /nfs/dbraw/zinc/65/87/08/946658708.db2.gz RZVHGBJYEYYUDN-UHFFFAOYSA-N -1 3 384.237 3.665 20 0 GHADHM CC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573556607 946929690 /nfs/dbraw/zinc/92/96/90/946929690.db2.gz UECKGJFURXWDKU-UHFFFAOYSA-N -1 3 383.839 3.639 20 0 GHADHM CC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573556607 946929693 /nfs/dbraw/zinc/92/96/93/946929693.db2.gz UECKGJFURXWDKU-UHFFFAOYSA-N -1 3 383.839 3.639 20 0 GHADHM C=C/C=C\CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001573315911 947261985 /nfs/dbraw/zinc/26/19/85/947261985.db2.gz QITZSMGRISFJOX-ARJAWSKDSA-N -1 3 387.447 3.588 20 0 GHADHM C=C/C=C\CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001573315911 947261997 /nfs/dbraw/zinc/26/19/97/947261997.db2.gz QITZSMGRISFJOX-ARJAWSKDSA-N -1 3 387.447 3.588 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001573363918 947715306 /nfs/dbraw/zinc/71/53/06/947715306.db2.gz FBMJPOLNRCDGPE-WYMLVPIESA-N -1 3 381.867 3.625 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001573363918 947715311 /nfs/dbraw/zinc/71/53/11/947715311.db2.gz FBMJPOLNRCDGPE-WYMLVPIESA-N -1 3 381.867 3.625 20 0 GHADHM CC(=CC(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC001573365211 947730518 /nfs/dbraw/zinc/73/05/18/947730518.db2.gz SNWCGYGBNUBJHO-VAWYXSNFSA-N -1 3 399.376 3.878 20 0 GHADHM CC(=CC(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC001573365211 947730527 /nfs/dbraw/zinc/73/05/27/947730527.db2.gz SNWCGYGBNUBJHO-VAWYXSNFSA-N -1 3 399.376 3.878 20 0 GHADHM CC(=CC(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1)c1cccs1 ZINC001573366315 947736623 /nfs/dbraw/zinc/73/66/23/947736623.db2.gz VOXZNJKYJBBNQG-CMDGGOBGSA-N -1 3 395.366 3.869 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3F)cs2)cc1 ZINC001528088442 948540863 /nfs/dbraw/zinc/54/08/63/948540863.db2.gz NUCZOMCYKBRDFA-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cs2)cc1 ZINC001528088442 948540869 /nfs/dbraw/zinc/54/08/69/948540869.db2.gz NUCZOMCYKBRDFA-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC001573755135 948756775 /nfs/dbraw/zinc/75/67/75/948756775.db2.gz ATTNQABXQYAAJU-CXAGYDPISA-N -1 3 395.488 3.772 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001573755135 948756791 /nfs/dbraw/zinc/75/67/91/948756791.db2.gz ATTNQABXQYAAJU-CXAGYDPISA-N -1 3 395.488 3.772 20 0 GHADHM CC(C)[C@H]1CCCCCN1C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574092538 949066082 /nfs/dbraw/zinc/06/60/82/949066082.db2.gz RUZOHZGQHSMFPS-RTBURBONSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)[C@H]1CCCCCN1C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574092538 949066101 /nfs/dbraw/zinc/06/61/01/949066101.db2.gz RUZOHZGQHSMFPS-RTBURBONSA-N -1 3 382.512 3.854 20 0 GHADHM C[C@@H](F)CCNC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001575248856 949078827 /nfs/dbraw/zinc/07/88/27/949078827.db2.gz WQFGJKMYDDRTBI-GFCCVEGCSA-N -1 3 386.456 3.888 20 0 GHADHM C[C@@H](F)CCNC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001575248856 949078844 /nfs/dbraw/zinc/07/88/44/949078844.db2.gz WQFGJKMYDDRTBI-GFCCVEGCSA-N -1 3 386.456 3.888 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC001575504964 949099002 /nfs/dbraw/zinc/09/90/02/949099002.db2.gz ZZSCNNIBAOVJCK-VIFPVBQESA-N -1 3 384.852 3.760 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC001575504964 949099020 /nfs/dbraw/zinc/09/90/20/949099020.db2.gz ZZSCNNIBAOVJCK-VIFPVBQESA-N -1 3 384.852 3.760 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001575512539 949141074 /nfs/dbraw/zinc/14/10/74/949141074.db2.gz OEYZBQRJEFFLFA-CYBMUJFWSA-N -1 3 395.417 3.524 20 0 GHADHM CC(C)(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787884 949187507 /nfs/dbraw/zinc/18/75/07/949187507.db2.gz CTIBMDLIQJQCMR-UHFFFAOYSA-N -1 3 390.472 3.907 20 0 GHADHM CC(C)(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787884 949187523 /nfs/dbraw/zinc/18/75/23/949187523.db2.gz CTIBMDLIQJQCMR-UHFFFAOYSA-N -1 3 390.472 3.907 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001576157209 949472440 /nfs/dbraw/zinc/47/24/40/949472440.db2.gz ZFTLAYDSJBGHPB-GHMZBOCLSA-N -1 3 398.389 3.713 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001576157209 949472449 /nfs/dbraw/zinc/47/24/49/949472449.db2.gz ZFTLAYDSJBGHPB-GHMZBOCLSA-N -1 3 398.389 3.713 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001576157572 949488294 /nfs/dbraw/zinc/48/82/94/949488294.db2.gz RKMKIZBAYORTGZ-QAPCUYQASA-N -1 3 391.475 3.612 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001576157572 949488306 /nfs/dbraw/zinc/48/83/06/949488306.db2.gz RKMKIZBAYORTGZ-QAPCUYQASA-N -1 3 391.475 3.612 20 0 GHADHM CCCN(C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001589659165 949838475 /nfs/dbraw/zinc/83/84/75/949838475.db2.gz LJKZHUJWYPAJDP-GOSISDBHSA-N -1 3 396.491 3.688 20 0 GHADHM C[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575283077 949857507 /nfs/dbraw/zinc/85/75/07/949857507.db2.gz NHKQQBYNYVNWBR-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575283077 949857540 /nfs/dbraw/zinc/85/75/40/949857540.db2.gz NHKQQBYNYVNWBR-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM CC(C)CC(CC(C)C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001574145450 949927255 /nfs/dbraw/zinc/92/72/55/949927255.db2.gz SXCRSDGZRXKZPS-UHFFFAOYSA-N -1 3 389.569 3.925 20 0 GHADHM CC(C)CC(CC(C)C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001574145450 949927283 /nfs/dbraw/zinc/92/72/83/949927283.db2.gz SXCRSDGZRXKZPS-UHFFFAOYSA-N -1 3 389.569 3.925 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001573828240 949931938 /nfs/dbraw/zinc/93/19/38/949931938.db2.gz PNSDIJNTLMCCSL-ZWKOTPCHSA-N -1 3 382.512 3.887 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001573828240 949931962 /nfs/dbraw/zinc/93/19/62/949931962.db2.gz PNSDIJNTLMCCSL-ZWKOTPCHSA-N -1 3 382.512 3.887 20 0 GHADHM C[C@@H](CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)Cc1ccc(Cl)cc1 ZINC001574487681 949938572 /nfs/dbraw/zinc/93/85/72/949938572.db2.gz BAYWBRRHAQSMCB-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@@H](CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)Cc1ccc(Cl)cc1 ZINC001574487681 949938587 /nfs/dbraw/zinc/93/85/87/949938587.db2.gz BAYWBRRHAQSMCB-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM CC(C)(C)OC(=O)C1(NCc2ccc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC001573850086 950267503 /nfs/dbraw/zinc/26/75/03/950267503.db2.gz FWNMELIHTFTKPW-UHFFFAOYSA-N -1 3 391.903 3.654 20 0 GHADHM CC(C)(C)OC(=O)C1(NCc2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC001573850086 950267523 /nfs/dbraw/zinc/26/75/23/950267523.db2.gz FWNMELIHTFTKPW-UHFFFAOYSA-N -1 3 391.903 3.654 20 0 GHADHM CC(C)CC1(CNC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC001574167922 950498754 /nfs/dbraw/zinc/49/87/54/950498754.db2.gz LETGWZFSTYVWPF-UHFFFAOYSA-N -1 3 385.487 3.760 20 0 GHADHM CC(C)CC1(CNC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC001574167922 950498797 /nfs/dbraw/zinc/49/87/97/950498797.db2.gz LETGWZFSTYVWPF-UHFFFAOYSA-N -1 3 385.487 3.760 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCCO1 ZINC001575614660 950541868 /nfs/dbraw/zinc/54/18/68/950541868.db2.gz LMNBABNRLDWSEZ-FQEVSTJZSA-N -1 3 397.410 3.696 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCCO1 ZINC001575614660 950541890 /nfs/dbraw/zinc/54/18/90/950541890.db2.gz LMNBABNRLDWSEZ-FQEVSTJZSA-N -1 3 397.410 3.696 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3csc4ccccc34)c(-c3nnn[n-]3)cc2C1 ZINC001576216438 950737039 /nfs/dbraw/zinc/73/70/39/950737039.db2.gz JIXFFHVFYBADBI-LLVKDONJSA-N -1 3 390.472 3.854 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3csc4ccccc34)c(-c3nn[n-]n3)cc2C1 ZINC001576216438 950737053 /nfs/dbraw/zinc/73/70/53/950737053.db2.gz JIXFFHVFYBADBI-LLVKDONJSA-N -1 3 390.472 3.854 20 0 GHADHM CC(C)(C)c1c[nH]c(SCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC001573880082 950741864 /nfs/dbraw/zinc/74/18/64/950741864.db2.gz RJZSNYJIELVDEZ-UHFFFAOYSA-N -1 3 393.314 3.942 20 0 GHADHM CC(C)(C)c1c[nH]c(SCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC001573880082 950741882 /nfs/dbraw/zinc/74/18/82/950741882.db2.gz RJZSNYJIELVDEZ-UHFFFAOYSA-N -1 3 393.314 3.942 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573882001 950762780 /nfs/dbraw/zinc/76/27/80/950762780.db2.gz NIAGXOQCKGRPGE-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573882001 950762797 /nfs/dbraw/zinc/76/27/97/950762797.db2.gz NIAGXOQCKGRPGE-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC001573881999 950763398 /nfs/dbraw/zinc/76/33/98/950763398.db2.gz NHGDTGOTLAUQHG-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC001573881999 950763425 /nfs/dbraw/zinc/76/34/25/950763425.db2.gz NHGDTGOTLAUQHG-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576217933 950772176 /nfs/dbraw/zinc/77/21/76/950772176.db2.gz PKUBSVNFYPMCSH-QGHHPUGFSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001576217933 950772184 /nfs/dbraw/zinc/77/21/84/950772184.db2.gz PKUBSVNFYPMCSH-QGHHPUGFSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576217931 950772706 /nfs/dbraw/zinc/77/27/06/950772706.db2.gz PKUBSVNFYPMCSH-DYZYQPBXSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001576217931 950772718 /nfs/dbraw/zinc/77/27/18/950772718.db2.gz PKUBSVNFYPMCSH-DYZYQPBXSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1ccccc1 ZINC001576218423 950791252 /nfs/dbraw/zinc/79/12/52/950791252.db2.gz RKNVMBDBNJXBRH-KBPBESRZSA-N -1 3 376.464 3.519 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1ccccc1 ZINC001576218423 950791266 /nfs/dbraw/zinc/79/12/66/950791266.db2.gz RKNVMBDBNJXBRH-KBPBESRZSA-N -1 3 376.464 3.519 20 0 GHADHM CC(C)(C)c1csc(COc2nc3c(cc2-c2nnn[n-]2)CCCCC3)n1 ZINC001573885491 950829795 /nfs/dbraw/zinc/82/97/95/950829795.db2.gz YCXBDZLYIRKHJZ-UHFFFAOYSA-N -1 3 384.509 3.864 20 0 GHADHM CC(C)(C)c1csc(COc2nc3c(cc2-c2nn[n-]n2)CCCCC3)n1 ZINC001573885491 950829826 /nfs/dbraw/zinc/82/98/26/950829826.db2.gz YCXBDZLYIRKHJZ-UHFFFAOYSA-N -1 3 384.509 3.864 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001575185495 952432528 /nfs/dbraw/zinc/43/25/28/952432528.db2.gz RGBGGXAYRPJJRW-MRXNPFEDSA-N -1 3 387.487 3.904 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001575185495 952432530 /nfs/dbraw/zinc/43/25/30/952432530.db2.gz RGBGGXAYRPJJRW-MRXNPFEDSA-N -1 3 387.487 3.904 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001575186046 952436883 /nfs/dbraw/zinc/43/68/83/952436883.db2.gz YCGDNZCKADCKKG-GJZGRUSLSA-N -1 3 397.910 3.788 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001575186046 952436886 /nfs/dbraw/zinc/43/68/86/952436886.db2.gz YCGDNZCKADCKKG-GJZGRUSLSA-N -1 3 397.910 3.788 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC001575187533 952442174 /nfs/dbraw/zinc/44/21/74/952442174.db2.gz CXKPAOYJNHPFDO-ORAYPTAESA-N -1 3 380.423 3.805 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC001575187533 952442179 /nfs/dbraw/zinc/44/21/79/952442179.db2.gz CXKPAOYJNHPFDO-ORAYPTAESA-N -1 3 380.423 3.805 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2cc(Cl)ccc21 ZINC001575189855 952459716 /nfs/dbraw/zinc/45/97/16/952459716.db2.gz QBASPYJWSUEYBC-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2cc(Cl)ccc21 ZINC001575189855 952459720 /nfs/dbraw/zinc/45/97/20/952459720.db2.gz QBASPYJWSUEYBC-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001575191834 952469955 /nfs/dbraw/zinc/46/99/55/952469955.db2.gz YXAQROHUHZESQR-DEOSSOPVSA-N -1 3 397.482 3.684 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001575191834 952469958 /nfs/dbraw/zinc/46/99/58/952469958.db2.gz YXAQROHUHZESQR-DEOSSOPVSA-N -1 3 397.482 3.684 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001575191769 952469961 /nfs/dbraw/zinc/46/99/61/952469961.db2.gz ZFFNOYVUVSPQGY-HNNXBMFYSA-N -1 3 390.491 3.647 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001575191769 952469964 /nfs/dbraw/zinc/46/99/64/952469964.db2.gz ZFFNOYVUVSPQGY-HNNXBMFYSA-N -1 3 390.491 3.647 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cccc(Br)c1Cl)O2 ZINC001594905871 954674215 /nfs/dbraw/zinc/67/42/15/954674215.db2.gz TYZJMIFMTGCPKP-BWBHSNQOSA-N -1 3 388.689 3.605 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN(Cc3ccc(O)cc3)CC3CC3)o2)C1 ZINC001594918567 954784170 /nfs/dbraw/zinc/78/41/70/954784170.db2.gz VAWXDBVKADACIQ-GOSISDBHSA-N -1 3 384.476 3.698 20 0 GHADHM Cc1cc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c(C)cc1I ZINC001574326216 960853271 /nfs/dbraw/zinc/85/32/71/960853271.db2.gz KQAJMJXIZVIIMR-ZUZCIYMTSA-N -1 3 387.261 3.593 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@]2(C)CN(Cc3ccc(C(=O)[O-])s3)C[C@@]2(C)C1 ZINC001573437043 964068035 /nfs/dbraw/zinc/06/80/35/964068035.db2.gz ISZPUPJGUHPHGM-KDURUIRLSA-N -1 3 380.510 3.525 20 0 GHADHM CCOc1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c(F)c1 ZINC001461000469 1069327412 /nfs/dbraw/zinc/32/74/12/1069327412.db2.gz JMINXJYPJNSALJ-UHFFFAOYSA-N -1 3 379.381 3.535 20 0 GHADHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001591710511 975586137 /nfs/dbraw/zinc/58/61/37/975586137.db2.gz AXQVONDNSJSCJM-KRWDZBQOSA-N -1 3 396.846 3.976 20 0 GHADHM CC(C)c1[nH]c(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1C(=O)[O-] ZINC001591913086 976356084 /nfs/dbraw/zinc/35/60/84/976356084.db2.gz WXCLIWVTGKGBFF-HUUCEWRRSA-N -1 3 393.528 3.819 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c4nc[nH]c4ccc3F)c2)n1 ZINC001625891732 1014327328 /nfs/dbraw/zinc/32/73/28/1014327328.db2.gz QVBWDTBQOTYDPD-UHFFFAOYSA-N -1 3 377.379 3.679 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(F)c1 ZINC000182262210 1014569049 /nfs/dbraw/zinc/56/90/49/1014569049.db2.gz FHOMYCAHEGNRAD-GOSISDBHSA-N -1 3 386.423 3.562 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(F)c1 ZINC000182262194 1014569167 /nfs/dbraw/zinc/56/91/67/1014569167.db2.gz FHOMYCAHEGNRAD-SFHVURJKSA-N -1 3 386.423 3.562 20 0 GHADHM CC[C@@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595243100 980171939 /nfs/dbraw/zinc/17/19/39/980171939.db2.gz VTHKCYYVBFRTMI-NVXWUHKLSA-N -1 3 380.916 3.730 20 0 GHADHM CC[C@](NCc1ccnc(Br)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304865 980441243 /nfs/dbraw/zinc/44/12/43/980441243.db2.gz JPNRPUMJZNRSFM-MRXNPFEDSA-N -1 3 383.673 3.977 20 0 GHADHM CC[C@H]1CN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)CCCO1 ZINC001595488703 981237135 /nfs/dbraw/zinc/23/71/35/981237135.db2.gz QRVGVXGZBPQEMD-INIZCTEOSA-N -1 3 389.448 3.566 20 0 GHADHM CCCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001595860523 982795637 /nfs/dbraw/zinc/79/56/37/982795637.db2.gz OKDMTGRBSOTIIL-VHKYSDTDSA-N -1 3 384.476 3.574 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccsc1 ZINC001596254240 983661623 /nfs/dbraw/zinc/66/16/23/983661623.db2.gz GDZRRRSENWZYBL-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001596355748 983821379 /nfs/dbraw/zinc/82/13/79/983821379.db2.gz BZSOMOUPRNCLRN-KRWDZBQOSA-N -1 3 392.496 3.615 20 0 GHADHM CCN1CC[C@H](NCc2ccc(C(=O)[O-])cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596409800 983995980 /nfs/dbraw/zinc/99/59/80/983995980.db2.gz DJZIAYJANMXUIK-PKOBYXMFSA-N -1 3 396.384 3.866 20 0 GHADHM CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001596553294 984421954 /nfs/dbraw/zinc/42/19/54/984421954.db2.gz VFFVZTCQTMXRLL-GOSISDBHSA-N -1 3 398.297 3.559 20 0 GHADHM CCOC(=O)N1CCC(C)(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)CC1 ZINC001596644816 984654912 /nfs/dbraw/zinc/65/49/12/984654912.db2.gz VORLDLLKJBZNJD-AWEZNQCLSA-N -1 3 395.525 3.545 20 0 GHADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC001594503141 985694161 /nfs/dbraw/zinc/69/41/61/985694161.db2.gz VPOFKRJBXZSRPH-DAXOMENPSA-N -1 3 382.888 3.701 20 0 GHADHM Cc1[nH]c(CNCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1C(=O)[O-] ZINC001599963262 985840235 /nfs/dbraw/zinc/84/02/35/985840235.db2.gz KVKAISCQZGRZKX-UHFFFAOYSA-N -1 3 399.491 3.604 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(Cc3csc(C(=O)[O-])c3)CC2)cc1 ZINC001597073724 986594396 /nfs/dbraw/zinc/59/43/96/986594396.db2.gz ASYJDDNUYIGPOY-IBGZPJMESA-N -1 3 375.490 3.791 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)cc1 ZINC001597074573 986600300 /nfs/dbraw/zinc/60/03/00/986600300.db2.gz PPFYFQIZCZNAHU-QFIPXVFZSA-N -1 3 398.503 3.935 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001589435858 986747316 /nfs/dbraw/zinc/74/73/16/986747316.db2.gz MSRVJZYGFNIKNK-OUAUKWLOSA-N -1 3 392.805 3.728 20 0 GHADHM CCc1[nH]c(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C(=O)[O-] ZINC001597386469 987605154 /nfs/dbraw/zinc/60/51/54/987605154.db2.gz LKBMPTFDJNTAJF-HNNXBMFYSA-N -1 3 385.512 3.821 20 0 GHADHM CCc1[nH]c(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1C(=O)OC ZINC001597391724 987622535 /nfs/dbraw/zinc/62/25/35/987622535.db2.gz MRZFRUMYBUZPSU-GOSISDBHSA-N -1 3 399.274 3.760 20 0 GHADHM CCc1ccc(CN2CCN(Cc3ccnc4c(C(=O)[O-])cccc34)CC2)cc1 ZINC001597527933 988177485 /nfs/dbraw/zinc/17/74/85/988177485.db2.gz TWBHPFYHLNMRFB-UHFFFAOYSA-N -1 3 389.499 3.813 20 0 GHADHM CCc1oc(CN[C@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1C(=O)[O-] ZINC001597801389 989394607 /nfs/dbraw/zinc/39/46/07/989394607.db2.gz BYAXTEGHEIZXFR-ZDUSSCGKSA-N -1 3 378.856 3.571 20 0 GHADHM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001597995887 990101623 /nfs/dbraw/zinc/10/16/23/990101623.db2.gz FGRVXEJWOOWLCT-YUVSOPLDSA-N -1 3 384.520 3.535 20 0 GHADHM COc1cccc(Sc2ccccc2CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001599684388 990963441 /nfs/dbraw/zinc/96/34/41/990963441.db2.gz WLULYBLVOGTOTH-FQEVSTJZSA-N -1 3 387.501 3.504 20 0 GHADHM CN(C)c1ccc(OC(=O)C2(C)CCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC001598329144 991359552 /nfs/dbraw/zinc/35/95/52/991359552.db2.gz LHMXDQVNOJKEBU-UHFFFAOYSA-N -1 3 396.487 3.659 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001591483390 992602999 /nfs/dbraw/zinc/60/29/99/992602999.db2.gz CPFXTTMRAUWBKL-QJRAZLAKSA-N -1 3 384.476 3.609 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)N(C)C)cc1 ZINC001591485037 992614023 /nfs/dbraw/zinc/61/40/23/992614023.db2.gz YILOGICIPUKNPZ-LJQANCHMSA-N -1 3 386.536 3.639 20 0 GHADHM CC(C)Cc1ccc([C@@H](NCC(=O)Nc2cccc(C(=O)[O-])n2)C(C)C)cc1 ZINC001591484892 992614322 /nfs/dbraw/zinc/61/43/22/992614322.db2.gz WJFWHJJTOYZFCB-NRFANRHFSA-N -1 3 383.492 3.904 20 0 GHADHM CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523947 992695873 /nfs/dbraw/zinc/69/58/73/992695873.db2.gz QKNNAVCQNPHULO-UHFFFAOYSA-N -1 3 385.851 3.826 20 0 GHADHM CC(C)N(C(=O)CC1(CC(=O)[O-])CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001591539010 992718326 /nfs/dbraw/zinc/71/83/26/992718326.db2.gz QEXIMVLWEILMCO-FQEVSTJZSA-N -1 3 386.536 3.923 20 0 GHADHM CN(Cc1cnc2c(cnn2C)c1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598533158 992812047 /nfs/dbraw/zinc/81/20/47/992812047.db2.gz LTISFDDSEZIBKB-HNNXBMFYSA-N -1 3 379.247 3.533 20 0 GHADHM C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])cs1 ZINC001593230524 994363581 /nfs/dbraw/zinc/36/35/81/994363581.db2.gz DWQMGESNRKNRBL-LKFCYVNXSA-N -1 3 382.844 3.695 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@H](C)c1ccccc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001593237066 994412273 /nfs/dbraw/zinc/41/22/73/994412273.db2.gz MZBARWWMSWQOMS-VLIAUNLRSA-N -1 3 388.895 3.883 20 0 GHADHM C[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593246448 994451277 /nfs/dbraw/zinc/45/12/77/994451277.db2.gz LKHNCGLEYJZHHL-BLLLJJGKSA-N -1 3 383.366 3.553 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(-c3ccccn3)nc2)c1 ZINC001599655083 994566028 /nfs/dbraw/zinc/56/60/28/994566028.db2.gz FOSHVQGNBOJQTI-JOCHJYFZSA-N -1 3 377.444 3.632 20 0 GHADHM COc1cccc([C@H](N[C@@H](c2cncc(Br)c2)C2CC2)C(=O)[O-])c1 ZINC001599658217 994614719 /nfs/dbraw/zinc/61/47/19/994614719.db2.gz TVXXFNQNKCYVGU-SJORKVTESA-N -1 3 391.265 3.719 20 0 GHADHM COc1cccc([C@@H](O)C2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)c1 ZINC001599659821 994638055 /nfs/dbraw/zinc/63/80/55/994638055.db2.gz NURITVMEBWNFIF-IBGZPJMESA-N -1 3 375.490 3.709 20 0 GHADHM C[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC001593287852 994650890 /nfs/dbraw/zinc/65/08/90/994650890.db2.gz ALBBKBZUGLQLNO-HNNXBMFYSA-N -1 3 381.476 3.500 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCc2ccccc21 ZINC000545467719 1015905505 /nfs/dbraw/zinc/90/55/05/1015905505.db2.gz KAXWUKSJLJYJDV-QGZVFWFLSA-N -1 3 385.407 3.515 20 0 GHADHM C[C@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1cccc(Cl)c1 ZINC001593410560 995181777 /nfs/dbraw/zinc/18/17/77/995181777.db2.gz CLTADKPUOZNXOR-KRWDZBQOSA-N -1 3 398.684 3.798 20 0 GHADHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(OC)c([O-])c1Br ZINC000545499338 1015949202 /nfs/dbraw/zinc/94/92/02/1015949202.db2.gz AAMIDKNSYDZQPI-INIZCTEOSA-N -1 3 397.313 3.707 20 0 GHADHM C[C@@H](Oc1ccccc1CN1CCC(Cc2nc(C3CCC3)no2)CC1)C(=O)[O-] ZINC001593643943 995956180 /nfs/dbraw/zinc/95/61/80/995956180.db2.gz BKKUJXSMEUEQPQ-OAHLLOKOSA-N -1 3 399.491 3.644 20 0 GHADHM C[C@@H](Oc1ccccc1CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001593644202 995958342 /nfs/dbraw/zinc/95/83/42/995958342.db2.gz FJPQDGUXDUEVNT-RDTXWAMCSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@H](Oc1ccccc1CNC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001593644740 995965459 /nfs/dbraw/zinc/96/54/59/995965459.db2.gz CUCLLSDLGDLCKT-MEDUHNTESA-N -1 3 384.259 3.669 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000468758657 1016001873 /nfs/dbraw/zinc/00/18/73/1016001873.db2.gz AMLQGGQARUSZCG-UHFFFAOYSA-N -1 3 394.849 3.995 20 0 GHADHM C[C@@H](c1ccncc1)N1CCC(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001593723482 996259212 /nfs/dbraw/zinc/25/92/12/996259212.db2.gz ZSIOYEBVMFCXAU-LBPRGKRZSA-N -1 3 394.397 3.831 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)c([O-])c1 ZINC001154486286 1032135578 /nfs/dbraw/zinc/13/55/78/1032135578.db2.gz SICHYPSOGUSSFN-UHFFFAOYSA-N -1 3 378.222 3.756 20 0 GHADHM COC(=O)[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@H]1c1ccc(Cl)cc1 ZINC001598898499 997126640 /nfs/dbraw/zinc/12/66/40/997126640.db2.gz FOEZEJTULHWQQH-DLBZAZTESA-N -1 3 391.826 3.566 20 0 GHADHM COc1cc(CN(C)C[C@@H]2[C@H](C(=O)[O-])C2(F)F)ccc1OCc1ccccc1 ZINC001599405576 997291527 /nfs/dbraw/zinc/29/15/27/997291527.db2.gz FOONMJLOQFFTBE-VQIMIIECSA-N -1 3 391.414 3.672 20 0 GHADHM COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C2CC2)cc1 ZINC001599527580 997588375 /nfs/dbraw/zinc/58/83/75/997588375.db2.gz JBIPQCKWYHAWCQ-SJCJKPOMSA-N -1 3 388.489 3.831 20 0 GHADHM COc1ccc([C@@H](O)C2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)cc1 ZINC001599532348 997678680 /nfs/dbraw/zinc/67/86/80/997678680.db2.gz QGUNOJFTFSFROG-WOJBJXKFSA-N -1 3 389.879 3.920 20 0 GHADHM COc1ccc([C@H](NCc2ccc3c(c2)OCCCCO3)C(=O)[O-])cc1Cl ZINC001599532769 997687662 /nfs/dbraw/zinc/68/76/62/997687662.db2.gz VYQNAXSUXAAALN-IBGZPJMESA-N -1 3 391.851 3.816 20 0 GHADHM COc1cc(OC)cc(Oc2cccc(CN[C@H](C(=O)[O-])c3cccnc3)c2)c1 ZINC001599454165 998159603 /nfs/dbraw/zinc/15/96/03/998159603.db2.gz ZWTXDGAHBKYWFL-NRFANRHFSA-N -1 3 394.427 3.807 20 0 GHADHM COc1ccc(CN(Cc2ccc(OC)cc2)C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)cc1 ZINC001599559785 998167931 /nfs/dbraw/zinc/16/79/31/998167931.db2.gz PXXNDVHHFUZRCW-MOPGFXCFSA-N -1 3 391.414 3.672 20 0 GHADHM COC[C@H](C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001599158281 998412417 /nfs/dbraw/zinc/41/24/17/998412417.db2.gz DGAAUHYEZIRIPU-DJJJIMSYSA-N -1 3 393.867 3.678 20 0 GHADHM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001599373327 998446641 /nfs/dbraw/zinc/44/66/41/998446641.db2.gz LQEWAUDICIKFGS-IBGZPJMESA-N -1 3 397.475 3.660 20 0 GHADHM COC(=O)c1cccc(-c2nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)cs2)c1 ZINC001598991223 998739596 /nfs/dbraw/zinc/73/95/96/998739596.db2.gz GXUXNWORUUFXAO-HNNXBMFYSA-N -1 3 376.478 3.576 20 0 GHADHM COC(=O)c1cccc([C@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])c1 ZINC001598994933 998770831 /nfs/dbraw/zinc/77/08/31/998770831.db2.gz ISRSRWHQXFFAFT-FQEVSTJZSA-N -1 3 383.444 3.710 20 0 GHADHM COC(=O)c1cccc([C@H](C(=O)[O-])N(C)Cc2ccccc2C(F)(F)F)c1 ZINC001598996349 998783087 /nfs/dbraw/zinc/78/30/87/998783087.db2.gz NNDQNNJFDPVGQO-MRXNPFEDSA-N -1 3 381.350 3.750 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001594297110 999145792 /nfs/dbraw/zinc/14/57/92/999145792.db2.gz RRYRUXIIFZUMLD-FPNRTYGOSA-N -1 3 389.492 3.605 20 0 GHADHM C[C@H]1CC[C@](NCc2cccc3c2OC(F)(F)O3)(C(=O)[O-])c2ccccc21 ZINC001594321196 999234303 /nfs/dbraw/zinc/23/43/03/999234303.db2.gz OZFXRVYGPRAXIS-HXPMCKFVSA-N -1 3 375.371 3.975 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000468983739 1016306357 /nfs/dbraw/zinc/30/63/57/1016306357.db2.gz LNZHZUAGFHRUMW-UHFFFAOYSA-N -1 3 399.491 3.813 20 0 GHADHM C[C@@H]1CCCN(C(=O)C2CCN(Cc3c(Cl)cccc3C(=O)[O-])CC2)C1 ZINC001594379359 999430978 /nfs/dbraw/zinc/43/09/78/999430978.db2.gz SJFDGZJQGLSYSJ-CQSZACIVSA-N -1 3 378.900 3.509 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)CN3C[C@@H]4CCCC[C@@H]4C3)c2C(=O)[O-])C1 ZINC001594444358 999633806 /nfs/dbraw/zinc/63/38/06/999633806.db2.gz PYCKXULXALJVSU-MELADBBJSA-N -1 3 376.522 3.632 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000469061906 1016395942 /nfs/dbraw/zinc/39/59/42/1016395942.db2.gz YKVJDQFFTGCYJK-LJQANCHMSA-N -1 3 379.378 3.732 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000557849898 1017058673 /nfs/dbraw/zinc/05/86/73/1017058673.db2.gz SCCOIUGGGYWDIT-DTWKUNHWSA-N -1 3 390.196 3.637 20 0 GHADHM Cc1ccc([C@]2(C)CN(C(=O)c3c([O-])cnc4ccc(C)cc43)CCO2)cc1 ZINC001154531111 1032167111 /nfs/dbraw/zinc/16/71/11/1032167111.db2.gz UKUYILJHEQZXSO-QHCPKHFHSA-N -1 3 376.456 3.945 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(C(=O)c1c([O-])cnc3ccc(C)cc31)C2 ZINC001154530430 1032166844 /nfs/dbraw/zinc/16/68/44/1032166844.db2.gz JCSNROLDZNAHGY-UHFFFAOYSA-N -1 3 396.468 3.686 20 0 GHADHM COC(=O)CCc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCCCC3=O)c1 ZINC001155038201 1032390047 /nfs/dbraw/zinc/39/00/47/1032390047.db2.gz PBAUPGRAWGGKOL-UHFFFAOYSA-N -1 3 381.428 3.659 20 0 GHADHM CCSc1cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccn1 ZINC001155128398 1032424736 /nfs/dbraw/zinc/42/47/36/1032424736.db2.gz QUUHRCOSNWNBIW-UHFFFAOYSA-N -1 3 394.522 3.927 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Oc2c([O-])cc(Br)cc2F)[C@@H](F)C1 ZINC001227584459 1032473081 /nfs/dbraw/zinc/47/30/81/1032473081.db2.gz SJVQGWAPQAKQBQ-CMPLNLGQSA-N -1 3 394.212 3.630 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227613462 1032485802 /nfs/dbraw/zinc/48/58/02/1032485802.db2.gz UZMBNZGIPXOIFV-INIZCTEOSA-N -1 3 392.440 3.505 20 0 GHADHM CCOC(=O)c1ccc2[n-]c(O[C@H](C(=O)OC)c3cccc(Cl)c3)nc2c1 ZINC001227702326 1032522773 /nfs/dbraw/zinc/52/27/73/1032522773.db2.gz QUXDUUUWVOCNPK-INIZCTEOSA-N -1 3 388.807 3.686 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1F ZINC001155585834 1032588596 /nfs/dbraw/zinc/58/85/96/1032588596.db2.gz VDZIRTBZZINHTI-MRXNPFEDSA-N -1 3 395.427 3.817 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)cc1 ZINC001204152992 1032606671 /nfs/dbraw/zinc/60/66/71/1032606671.db2.gz ZRSIAQQKYMJAEK-FQEVSTJZSA-N -1 3 380.444 3.543 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@@H]2CCCc3ccc(Br)cc32)n1 ZINC001227826509 1032634542 /nfs/dbraw/zinc/63/45/42/1032634542.db2.gz RTWRISDVPGICGJ-OAHLLOKOSA-N -1 3 378.222 3.793 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000135519284 1032637522 /nfs/dbraw/zinc/63/75/22/1032637522.db2.gz UVVGHSKSWAEGHV-UHFFFAOYSA-N -1 3 388.470 3.936 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Cl)cc1 ZINC000558972527 1017326407 /nfs/dbraw/zinc/32/64/07/1017326407.db2.gz LLDFCSUNHCUMSC-OAHLLOKOSA-N -1 3 397.700 3.841 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)c3ccc([O-])cc3)n2)cc1C ZINC000559771368 1017499938 /nfs/dbraw/zinc/49/99/38/1017499938.db2.gz WIUAOXIUBLVCBA-UHFFFAOYSA-N -1 3 395.484 3.809 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@](C)(O)c2ccccc2)c1Cl ZINC000778141220 1018727211 /nfs/dbraw/zinc/72/72/11/1018727211.db2.gz IQOFOEHKNYQPLH-QGZVFWFLSA-N -1 3 388.316 3.878 20 0 GHADHM CC(C)(C)c1nc(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cs1 ZINC000935161772 1018966921 /nfs/dbraw/zinc/96/69/21/1018966921.db2.gz INLUNLWYKWXXLK-UHFFFAOYSA-N -1 3 391.443 3.533 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1c1ccccc1 ZINC000576521169 1020023599 /nfs/dbraw/zinc/02/35/99/1020023599.db2.gz VPXQKHQQFPLAOZ-ZWKOTPCHSA-N -1 3 399.462 3.658 20 0 GHADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159802763 1020362606 /nfs/dbraw/zinc/36/26/06/1020362606.db2.gz RLYUJWWKDZHOBD-GDBMZVCRSA-N -1 3 394.487 3.821 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1c(F)cccc1C(F)(F)F ZINC001204464577 1032905013 /nfs/dbraw/zinc/90/50/13/1032905013.db2.gz JSMGHXHJZPKEIH-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1c(F)cccc1C(F)(F)F ZINC001204464577 1032905017 /nfs/dbraw/zinc/90/50/17/1032905017.db2.gz JSMGHXHJZPKEIH-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CCc1c(NC(=O)NN=c2ccc(Cl)n[n-]2)cnn1-c1ccccc1Cl ZINC000191588965 1020789548 /nfs/dbraw/zinc/78/95/48/1020789548.db2.gz OEPNRBNBVLXDOK-UHFFFAOYSA-N -1 3 392.250 3.680 20 0 GHADHM CC[C@](CC(=O)[O-])(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccc(C)cc1 ZINC000634822295 1020959292 /nfs/dbraw/zinc/95/92/92/1020959292.db2.gz SHQRBNHFTMUWRC-NTKDMRAZSA-N -1 3 396.531 3.754 20 0 GHADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000795664357 1021093308 /nfs/dbraw/zinc/09/33/08/1021093308.db2.gz XLOHPJVPLUMSHE-UHFFFAOYSA-N -1 3 395.864 3.643 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001156284034 1032958748 /nfs/dbraw/zinc/95/87/48/1032958748.db2.gz CAKKIPUYSHUPST-GFCCVEGCSA-N -1 3 396.800 3.692 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c(C)c1F ZINC000901892836 1021458407 /nfs/dbraw/zinc/45/84/07/1021458407.db2.gz PYZFXEIERIEPDC-XMMPIXPASA-N -1 3 383.510 3.739 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)o1 ZINC000902346108 1021504094 /nfs/dbraw/zinc/50/40/94/1021504094.db2.gz SIXOAKVVJXSXSC-MRXNPFEDSA-N -1 3 382.460 3.526 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCN(C)c4ccccc43)c2)n1 ZINC000676799086 1021770489 /nfs/dbraw/zinc/77/04/89/1021770489.db2.gz HHVNFBACBFMQPT-LJQANCHMSA-N -1 3 388.471 3.974 20 0 GHADHM CCOC(=O)[C@@H]1C[C@@H](Oc2c([O-])ccc3c(C)cc(=O)oc32)c2ccccc2O1 ZINC001228623609 1033014281 /nfs/dbraw/zinc/01/42/81/1033014281.db2.gz SSHUHNYGVURKGY-MSOLQXFVSA-N -1 3 396.395 3.641 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)cc1 ZINC000135932869 1033014693 /nfs/dbraw/zinc/01/46/93/1033014693.db2.gz AMXQNOJGYRWWCK-MRXNPFEDSA-N -1 3 383.473 3.797 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(Cc1cccc([O-])c1Br)C2 ZINC001140551244 1021952628 /nfs/dbraw/zinc/95/26/28/1021952628.db2.gz WZZQVONYHRCXSY-UHFFFAOYSA-N 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ZINC000754280480 1022580027 /nfs/dbraw/zinc/58/00/27/1022580027.db2.gz OOPUBWPVVPAGOP-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](C)c1cc(-c2ccccc2)no1 ZINC001228717416 1033061508 /nfs/dbraw/zinc/06/15/08/1033061508.db2.gz ZBCYOPRAQCETBD-GFCCVEGCSA-N -1 3 385.445 3.666 20 0 GHADHM Cc1ccc(N2CC[C@@H]3CN(Cc4cc(Cl)c([O-])c(Cl)c4)C[C@@H]3C2)nn1 ZINC001140835547 1022659323 /nfs/dbraw/zinc/65/93/23/1022659323.db2.gz YYZBIBNDLFWYNH-HUUCEWRRSA-N -1 3 393.318 3.756 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000836566839 1023129019 /nfs/dbraw/zinc/12/90/19/1023129019.db2.gz KDOCZINMZDKCTQ-UHFFFAOYSA-N -1 3 376.375 3.921 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000836566839 1023129027 /nfs/dbraw/zinc/12/90/27/1023129027.db2.gz KDOCZINMZDKCTQ-UHFFFAOYSA-N -1 3 376.375 3.921 20 0 GHADHM C[C@@]1(CCNC(=O)NCc2ccc([O-])c(Br)c2)CC1(Cl)Cl ZINC000836617800 1023174691 /nfs/dbraw/zinc/17/46/91/1023174691.db2.gz DHILWBISPPTMMO-CYBMUJFWSA-N -1 3 396.112 3.928 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000836626134 1023185905 /nfs/dbraw/zinc/18/59/05/1023185905.db2.gz OAPTYKSDWJBALY-HNNXBMFYSA-N -1 3 395.475 3.510 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCC2)c([O-])c1 ZINC000755623372 1023315846 /nfs/dbraw/zinc/31/58/46/1023315846.db2.gz OHFVNUSPQQMHGW-UHFFFAOYSA-N -1 3 399.443 3.647 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000756348418 1023600610 /nfs/dbraw/zinc/60/06/10/1023600610.db2.gz KLBYYORAXPVSPJ-QGZVFWFLSA-N -1 3 375.350 3.807 20 0 GHADHM O=C([O-])C[C@H](NC/C=C/c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000756378645 1023619109 /nfs/dbraw/zinc/61/91/09/1023619109.db2.gz HGACZKQMVRFERK-SGSXCFNPSA-N -1 3 383.398 3.969 20 0 GHADHM Cn1ccnc1C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757035707 1023914313 /nfs/dbraw/zinc/91/43/13/1023914313.db2.gz SVYYLYNJHBHIAI-INIZCTEOSA-N -1 3 391.368 3.890 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc([O-])c(F)c3F)cc2)C[C@H](C)O1 ZINC000837087176 1024007192 /nfs/dbraw/zinc/00/71/92/1024007192.db2.gz IARYMDGDWWSCTO-BETUJISGSA-N -1 3 376.403 3.532 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OC2CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000830751046 1024131773 /nfs/dbraw/zinc/13/17/73/1024131773.db2.gz SOLKPNJSMMHOCO-CYBMUJFWSA-N -1 3 391.493 3.698 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000837238332 1024270923 /nfs/dbraw/zinc/27/09/23/1024270923.db2.gz WTRORKOWKHPJRX-GOEBONIOSA-N -1 3 376.497 3.578 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001228959741 1033200673 /nfs/dbraw/zinc/20/06/73/1033200673.db2.gz KHPFXOXCXBTFDX-LJQANCHMSA-N -1 3 383.488 3.998 20 0 GHADHM COC[C@@H](C)N(Cc1cn(CC(=O)[O-])c2ccccc12)Cc1cccc(OC)c1 ZINC001138196152 1024345353 /nfs/dbraw/zinc/34/53/53/1024345353.db2.gz UUFXUFBUVHGNBU-QGZVFWFLSA-N -1 3 396.487 3.772 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c([O-])c1 ZINC001141286126 1024408140 /nfs/dbraw/zinc/40/81/40/1024408140.db2.gz JNCMRJCXSFNCPN-AWEZNQCLSA-N -1 3 386.439 3.794 20 0 GHADHM Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837407198 1024429243 /nfs/dbraw/zinc/42/92/43/1024429243.db2.gz XIEMOUDZTBFYLR-UHFFFAOYSA-N -1 3 399.428 3.632 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)[C@@H]1CCN(c2ccccc2)C1 ZINC001138278212 1024535297 /nfs/dbraw/zinc/53/52/97/1024535297.db2.gz JHQMGXDHQQEOKO-CYBMUJFWSA-N -1 3 393.256 3.663 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)[C@H]1CCN(c2ccccc2)C1 ZINC001138278213 1024535522 /nfs/dbraw/zinc/53/55/22/1024535522.db2.gz JHQMGXDHQQEOKO-ZDUSSCGKSA-N -1 3 393.256 3.663 20 0 GHADHM O=C(CCc1nc(C2CCCC2)no1)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837579981 1024564285 /nfs/dbraw/zinc/56/42/85/1024564285.db2.gz QQBJWQVZPCKHHC-UHFFFAOYSA-N -1 3 394.431 3.566 20 0 GHADHM O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1cccc2n[n-]nc21 ZINC001138299623 1024586811 /nfs/dbraw/zinc/58/68/11/1024586811.db2.gz DJQCPRFVMLCVHC-HNNXBMFYSA-N -1 3 399.292 3.862 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC001156755188 1033224988 /nfs/dbraw/zinc/22/49/88/1033224988.db2.gz ASNNAJGYCLDJDL-QFIPXVFZSA-N -1 3 387.439 3.740 20 0 GHADHM O=C(NCCN1CCc2ccccc2C1)c1cc(Cl)c2ccccc2c1[O-] ZINC001141443637 1025070934 /nfs/dbraw/zinc/07/09/34/1025070934.db2.gz PGRGVPXIPZRLDN-UHFFFAOYSA-N -1 3 380.875 3.987 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(OC(F)F)cc1 ZINC001141454962 1025101751 /nfs/dbraw/zinc/10/17/51/1025101751.db2.gz WZFHVKFZOLMNBU-SECBINFHSA-N -1 3 394.324 3.899 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838840388 1025391422 /nfs/dbraw/zinc/39/14/22/1025391422.db2.gz YBBYXDAVUUKNGE-JSGCOSHPSA-N -1 3 399.329 3.890 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2cc(OC(F)(F)F)ccc2s1 ZINC001156863912 1033288794 /nfs/dbraw/zinc/28/87/94/1033288794.db2.gz ISYFBPPDMWUZTC-UHFFFAOYSA-N -1 3 385.367 3.510 20 0 GHADHM COC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001138930092 1025600413 /nfs/dbraw/zinc/60/04/13/1025600413.db2.gz WECPZZOYZVVVLP-HXUWFJFHSA-N -1 3 383.444 3.664 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000839496182 1025985147 /nfs/dbraw/zinc/98/51/47/1025985147.db2.gz FKTOFHODRHMSAF-HNNXBMFYSA-N -1 3 397.435 3.578 20 0 GHADHM O=C1OCCN1Cc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC001461078953 1069379046 /nfs/dbraw/zinc/37/90/46/1069379046.db2.gz MUKVAKYKNBTMMO-UHFFFAOYSA-N -1 3 377.238 3.719 20 0 GHADHM CC(C)c1c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cnn1-c1cccc(Cl)c1 ZINC001164320787 1026483979 /nfs/dbraw/zinc/48/39/79/1026483979.db2.gz DJTOLZJXLCQWDY-CYBMUJFWSA-N -1 3 399.882 3.708 20 0 GHADHM CCOC(=O)CCC1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1 ZINC001165061686 1026581996 /nfs/dbraw/zinc/58/19/96/1026581996.db2.gz YSMQPXTYBANRMB-UHFFFAOYSA-N -1 3 379.860 3.523 20 0 GHADHM Clc1cccc(Cl)c1CSCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001165585090 1026767718 /nfs/dbraw/zinc/76/77/18/1026767718.db2.gz VOQNZJYLEUNLDJ-UHFFFAOYSA-N -1 3 381.292 3.914 20 0 GHADHM Clc1cccc(Cl)c1CSCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001165585090 1026767729 /nfs/dbraw/zinc/76/77/29/1026767729.db2.gz VOQNZJYLEUNLDJ-UHFFFAOYSA-N -1 3 381.292 3.914 20 0 GHADHM Cn1cc(C2=CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)cn1 ZINC001166131955 1026925969 /nfs/dbraw/zinc/92/59/69/1026925969.db2.gz PRMBUUVWMDHDRE-UHFFFAOYSA-N -1 3 387.483 3.840 20 0 GHADHM C=Cc1cccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001209918880 1027275164 /nfs/dbraw/zinc/27/51/64/1027275164.db2.gz CHMULLORYDQZJY-UHFFFAOYSA-N -1 3 382.441 3.899 20 0 GHADHM COC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccc(Cl)c1 ZINC001141791301 1027292082 /nfs/dbraw/zinc/29/20/82/1027292082.db2.gz JVGVPHXUFCEMCG-HNNXBMFYSA-N -1 3 384.657 3.926 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(Cl)cc2)c(F)cc1F ZINC001210152531 1027362044 /nfs/dbraw/zinc/36/20/44/1027362044.db2.gz YGFGZECZDNTHSG-NSHDSACASA-N -1 3 375.824 3.672 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC001141843321 1027414189 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3.953 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cc(F)c(OC)cc4F)no3)c2c1 ZINC001217500175 1030444020 /nfs/dbraw/zinc/44/40/20/1030444020.db2.gz UMRYUENSFWAXBH-UHFFFAOYSA-N -1 3 385.326 3.953 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(-c5cnco5)cc4)no3)c21 ZINC001217512094 1030454284 /nfs/dbraw/zinc/45/42/84/1030454284.db2.gz KTGFXQDMKUUEFD-UHFFFAOYSA-N -1 3 387.355 3.722 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001151093456 1030769366 /nfs/dbraw/zinc/76/93/66/1030769366.db2.gz WFUNACDGCIXAPN-UHFFFAOYSA-N -1 3 381.194 3.730 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC001151364281 1030879061 /nfs/dbraw/zinc/87/90/61/1030879061.db2.gz DJWCNGYTCPUOSQ-UHFFFAOYSA-N -1 3 383.429 3.572 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1c(F)cccc1NCCOC ZINC001151374096 1030886034 /nfs/dbraw/zinc/88/60/34/1030886034.db2.gz LVQPPQLFMRTGTN-UHFFFAOYSA-N -1 3 399.422 3.794 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccc2c1CN(C)C(=O)N2 ZINC001151374550 1030886888 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3 376.243 3.756 20 0 GHADHM CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)c3cccc4c3[N-]C(=O)C4=O)C2)cc1 ZINC001152457827 1031250489 /nfs/dbraw/zinc/25/04/89/1031250489.db2.gz ZPMGXZPNDVWETB-HNNXBMFYSA-N -1 3 392.455 3.628 20 0 GHADHM Cc1ccc(CSC[C@H](N)C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001219310894 1031350680 /nfs/dbraw/zinc/35/06/80/1031350680.db2.gz POCUBUNUQVKCIV-AWEZNQCLSA-N -1 3 384.423 3.919 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1c2ccccc2nnc1-c1ccccc1 ZINC001152790445 1031355748 /nfs/dbraw/zinc/35/57/48/1031355748.db2.gz LGHMBKNYSWGNOY-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1c2ccccc2nnc1-c1ccccc1 ZINC001152790445 1031355763 /nfs/dbraw/zinc/35/57/63/1031355763.db2.gz LGHMBKNYSWGNOY-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2F)s1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001219341746 1031368009 /nfs/dbraw/zinc/36/80/09/1031368009.db2.gz FRHYYHQJDJJMRC-UHFFFAOYSA-N -1 3 395.423 3.697 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2F)s1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001219341746 1031368021 /nfs/dbraw/zinc/36/80/21/1031368021.db2.gz FRHYYHQJDJJMRC-UHFFFAOYSA-N -1 3 395.423 3.697 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001152843906 1031375293 /nfs/dbraw/zinc/37/52/93/1031375293.db2.gz BQUIJOHFSCXPNA-QWHCGFSZSA-N -1 3 380.510 3.584 20 0 GHADHM COC(=O)[C@@H](Oc1cc(C)cc([O-])c1I)c1ccccc1 ZINC001225510214 1031445429 /nfs/dbraw/zinc/44/54/29/1031445429.db2.gz GNIYMRMTNMZAJH-HNNXBMFYSA-N -1 3 398.196 3.598 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1 ZINC001153812961 1031755769 /nfs/dbraw/zinc/75/57/69/1031755769.db2.gz SIHZIFPEHRDQSR-YLJYHZDGSA-N -1 3 381.472 3.736 20 0 GHADHM O=C(Nc1cccc2c1OCCC2)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153878905 1031788087 /nfs/dbraw/zinc/78/80/87/1031788087.db2.gz UYVDOOOMBFCSTE-UHFFFAOYSA-N -1 3 399.244 3.868 20 0 GHADHM CCc1ccc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c(O)c1 ZINC001153878634 1031788860 /nfs/dbraw/zinc/78/88/60/1031788860.db2.gz ZBTOOXAAKPDJFI-UHFFFAOYSA-N -1 3 387.233 3.811 20 0 GHADHM O=C(NCc1ccc(OC(F)F)cc1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153905487 1031803965 /nfs/dbraw/zinc/80/39/65/1031803965.db2.gz BYJCASGWIFRNKZ-UHFFFAOYSA-N -1 3 378.762 3.713 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(O)CCC1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908331 1031806913 /nfs/dbraw/zinc/80/69/13/1031806913.db2.gz BNTDSAULJYFSEX-IBGZPJMESA-N -1 3 382.847 3.568 20 0 GHADHM CN(Cc1ncccc1C(F)(F)F)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154024129 1031882307 /nfs/dbraw/zinc/88/23/07/1031882307.db2.gz GPWFESMIPYBOFU-UHFFFAOYSA-N -1 3 376.334 3.937 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)[n-]c2c1 ZINC001154113459 1031934658 /nfs/dbraw/zinc/93/46/58/1031934658.db2.gz UAKXLDICFIKPCU-UHFFFAOYSA-N -1 3 386.451 3.738 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1O ZINC001226477918 1031972922 /nfs/dbraw/zinc/97/29/22/1031972922.db2.gz AGXZADJTXSVXMZ-WBMJQRKESA-N -1 3 379.453 3.715 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC(F)(F)C1 ZINC001226597488 1032034576 /nfs/dbraw/zinc/03/45/76/1032034576.db2.gz UOFSWFPNGLQCJO-LBPRGKRZSA-N -1 3 397.374 3.522 20 0 GHADHM Cc1nc(NC([O-])=NO[C@@H](CO)C2CCCC2)sc1Cc1ccccc1F ZINC001205224830 1033313994 /nfs/dbraw/zinc/31/39/94/1033313994.db2.gz QPBYSFWXDUQAPJ-INIZCTEOSA-N -1 3 393.484 3.786 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C2CCCC2)sc1Cc1ccccc1F ZINC001205224830 1033314009 /nfs/dbraw/zinc/31/40/09/1033314009.db2.gz QPBYSFWXDUQAPJ-INIZCTEOSA-N -1 3 393.484 3.786 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1cc(Br)ccc1F ZINC001229337972 1033423003 /nfs/dbraw/zinc/42/30/03/1033423003.db2.gz PWBJNIAECMWPGM-SECBINFHSA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1cc(Br)ccc1F ZINC001229337972 1033423011 /nfs/dbraw/zinc/42/30/11/1033423011.db2.gz PWBJNIAECMWPGM-SECBINFHSA-N -1 3 393.216 3.917 20 0 GHADHM C[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233816 1033485901 /nfs/dbraw/zinc/48/59/01/1033485901.db2.gz LJHGEYYGHHNXCQ-YUMQZZPRSA-N -1 3 380.292 3.980 20 0 GHADHM CCOC(=O)N1CCC[C@H](Oc2cc(C(=O)c3ccc(C)cc3)ccc2[O-])C1 ZINC001229543273 1033549962 /nfs/dbraw/zinc/54/99/62/1033549962.db2.gz YFFDGQVHBKYDHU-SFHVURJKSA-N -1 3 383.444 3.931 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3nc(=S)[n-]c4sccc43)[C@H]2C1 ZINC001229571024 1033564716 /nfs/dbraw/zinc/56/47/16/1033564716.db2.gz YLESMRKUGSKIBK-DLOVCJGASA-N -1 3 379.507 3.614 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001157556759 1033658313 /nfs/dbraw/zinc/65/83/13/1033658313.db2.gz FCUMDUALLVVKNX-UHFFFAOYSA-N -1 3 390.915 3.569 20 0 GHADHM Cc1cnc(F)c([C@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)c1 ZINC001230185802 1033935190 /nfs/dbraw/zinc/93/51/90/1033935190.db2.gz JADXHYLLTDMUGU-HNNXBMFYSA-N -1 3 394.450 3.723 20 0 GHADHM CC1(C)CCc2onc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)c2C1 ZINC001158344594 1034035279 /nfs/dbraw/zinc/03/52/79/1034035279.db2.gz DOKQWMATZOHUKC-UHFFFAOYSA-N -1 3 394.431 3.522 20 0 GHADHM CC1(C)CCc2onc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)c2C1 ZINC001158344594 1034035303 /nfs/dbraw/zinc/03/53/03/1034035303.db2.gz DOKQWMATZOHUKC-UHFFFAOYSA-N -1 3 394.431 3.522 20 0 GHADHM Cc1cc2ccccc2nc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158346368 1034036753 /nfs/dbraw/zinc/03/67/53/1034036753.db2.gz VTNDQHDIFYMLJH-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM Cc1cc2ccccc2nc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158346368 1034036761 /nfs/dbraw/zinc/03/67/61/1034036761.db2.gz VTNDQHDIFYMLJH-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM O=C(CCCc1c(F)cccc1F)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158792612 1034272328 /nfs/dbraw/zinc/27/23/28/1034272328.db2.gz HJSUGMJCQMIOCL-HDJSIYSDSA-N -1 3 375.419 3.626 20 0 GHADHM CCOc1ccccc1OCCNC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001158824193 1034290110 /nfs/dbraw/zinc/29/01/10/1034290110.db2.gz SUOAWDGHBWNXHB-UHFFFAOYSA-N -1 3 375.828 3.535 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3snc(Cl)c3Cl)nc21 ZINC001158873739 1034313979 /nfs/dbraw/zinc/31/39/79/1034313979.db2.gz XTYUFBOXUICYQJ-UHFFFAOYSA-N -1 3 385.232 3.755 20 0 GHADHM C[C@H](NC(=O)Nc1csc(-c2ccccc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001207419732 1034355131 /nfs/dbraw/zinc/35/51/31/1034355131.db2.gz DNHDUAPQEQJYNJ-QMMMGPOBSA-N -1 3 382.371 3.830 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)c1cc(OC)ccc1OC ZINC001231086175 1034387616 /nfs/dbraw/zinc/38/76/16/1034387616.db2.gz CZNOVWGLKVZXLD-JTQLQIEISA-N -1 3 381.812 3.775 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)c1cc(Br)no1 ZINC001231089851 1034391745 /nfs/dbraw/zinc/39/17/45/1034391745.db2.gz ZRMXHRSGOFWAIC-ZCFIWIBFSA-N -1 3 391.605 3.508 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(Br)ccc1OC(F)F ZINC001159063988 1034409609 /nfs/dbraw/zinc/40/96/09/1034409609.db2.gz ZVDYGTCILNWRLD-UHFFFAOYSA-N -1 3 398.163 3.885 20 0 GHADHM Cn1ncc2ccc(CNC(=O)c3cc(CCc4ccccc4)ccc3[O-])cc21 ZINC001159315238 1034539171 /nfs/dbraw/zinc/53/91/71/1034539171.db2.gz GAKULVRSGVOVKQ-UHFFFAOYSA-N -1 3 385.467 3.994 20 0 GHADHM COc1cccc(OC)c1CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001159363530 1034564572 /nfs/dbraw/zinc/56/45/72/1034564572.db2.gz JKZIFOKZMVYFFJ-UHFFFAOYSA-N -1 3 398.488 3.604 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC001231461795 1034606542 /nfs/dbraw/zinc/60/65/42/1034606542.db2.gz UAOUAIULDOGDRH-KRWDZBQOSA-N -1 3 392.471 3.793 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231523059 1034675107 /nfs/dbraw/zinc/67/51/07/1034675107.db2.gz OLMKSMRHPJJAIY-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231527590 1034680654 /nfs/dbraw/zinc/68/06/54/1034680654.db2.gz NXYDQZXZPBQNNB-CQSZACIVSA-N -1 3 389.414 3.734 20 0 GHADHM CCCOc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1F ZINC001208027046 1034709992 /nfs/dbraw/zinc/70/99/92/1034709992.db2.gz MQBIFSFIVJNWMN-MRVPVSSYSA-N -1 3 375.326 3.634 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC001208045882 1034715442 /nfs/dbraw/zinc/71/54/42/1034715442.db2.gz CBHHGYBLMKXSMF-SFHVURJKSA-N -1 3 386.521 3.837 20 0 GHADHM CCCCN1CC[C@@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277547516 1034816739 /nfs/dbraw/zinc/81/67/39/1034816739.db2.gz GKUKYGPOAYNQIG-SFHVURJKSA-N -1 3 381.314 3.522 20 0 GHADHM Cc1ccc([O-])c(CN2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 ZINC001231669614 1034824163 /nfs/dbraw/zinc/82/41/63/1034824163.db2.gz MIZUNIGMVDMRCI-ICSRJNTNSA-N -1 3 395.503 3.814 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)c(-c2ccccc2)s1 ZINC001208831269 1035046439 /nfs/dbraw/zinc/04/64/39/1035046439.db2.gz QDFBAOYIFCKBOI-AWEZNQCLSA-N -1 3 388.514 3.864 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001161100094 1035141414 /nfs/dbraw/zinc/14/14/14/1035141414.db2.gz XVQNZCFDQASWMJ-SNVBAGLBSA-N -1 3 385.798 3.555 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCCCC2)s1 ZINC001209137195 1035188767 /nfs/dbraw/zinc/18/87/67/1035188767.db2.gz QFSGIEMMIWHCAE-UHFFFAOYSA-N -1 3 380.535 3.722 20 0 GHADHM CCCCN1CC[C@@]2(CCN(Cc3c(Br)ccc([O-])c3F)C2)C1=O ZINC001276624550 1035207858 /nfs/dbraw/zinc/20/78/58/1035207858.db2.gz SGLKUNAQPNESFB-GOSISDBHSA-N -1 3 399.304 3.518 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001161356780 1035215267 /nfs/dbraw/zinc/21/52/67/1035215267.db2.gz CHGCKWWDKQRTBF-UYAOXDASSA-N -1 3 380.488 3.615 20 0 GHADHM O=C(NCc1ccccc1Cn1ccnc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001161442649 1035232141 /nfs/dbraw/zinc/23/21/41/1035232141.db2.gz QLBBEXYLSFWPBO-UHFFFAOYSA-N -1 3 392.846 3.769 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3sc4ccc(F)cc4c3C)c2c1=O ZINC001161521901 1035249485 /nfs/dbraw/zinc/24/94/85/1035249485.db2.gz VWQZKMGVAOZREK-UHFFFAOYSA-N -1 3 384.436 3.967 20 0 GHADHM CCCCCC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001209428801 1035272581 /nfs/dbraw/zinc/27/25/81/1035272581.db2.gz HFLLMWOTXLYHDL-OAHLLOKOSA-N -1 3 381.947 3.972 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(C(=O)OCc4ccccc4)cc3)ccc2[n-]1 ZINC001241297002 1035553074 /nfs/dbraw/zinc/55/30/74/1035553074.db2.gz WMKFXLOCWAJQNF-UHFFFAOYSA-N -1 3 387.395 3.720 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(C(=O)OCc4ccccc4)cc3)[n-]c-2n1 ZINC001241297002 1035553084 /nfs/dbraw/zinc/55/30/84/1035553084.db2.gz WMKFXLOCWAJQNF-UHFFFAOYSA-N -1 3 387.395 3.720 20 0 GHADHM Cc1ccc(OCCSc2ncccn2)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445668 1035584894 /nfs/dbraw/zinc/58/48/94/1035584894.db2.gz TTYGCCCGFWTSOB-UHFFFAOYSA-N -1 3 390.472 3.803 20 0 GHADHM Cc1ccc(OCCSc2ncccn2)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445668 1035584907 /nfs/dbraw/zinc/58/49/07/1035584907.db2.gz TTYGCCCGFWTSOB-UHFFFAOYSA-N -1 3 390.472 3.803 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001248246460 1035693122 /nfs/dbraw/zinc/69/31/22/1035693122.db2.gz SFLSBYOTODLLNC-JTQLQIEISA-N -1 3 387.720 3.895 20 0 GHADHM NS(=O)(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1C(F)(F)F ZINC001242158163 1035836841 /nfs/dbraw/zinc/83/68/41/1035836841.db2.gz RUSUIXOLGKWUGL-UHFFFAOYSA-N -1 3 385.285 3.744 20 0 GHADHM CCOC(=O)c1sc2nc(CN(C)C)nc(-c3ccc(F)c([O-])c3)c2c1C ZINC001243049150 1036018922 /nfs/dbraw/zinc/01/89/22/1036018922.db2.gz PXYRJGMMHCLGAM-UHFFFAOYSA-N -1 3 389.452 3.750 20 0 GHADHM O=c1c(-c2ccc(OC(F)(F)F)cc2[O-])ccnn1Cc1ccccc1F ZINC001244468449 1036516833 /nfs/dbraw/zinc/51/68/33/1036516833.db2.gz XDWPJEMLZVZBSX-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM [O-]c1ccc(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c(Cl)c1 ZINC001245080418 1036756536 /nfs/dbraw/zinc/75/65/36/1036756536.db2.gz ZEULHEHNMAJZEJ-UHFFFAOYSA-N -1 3 384.842 3.968 20 0 GHADHM COc1cc(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)cc(Cl)c1OC ZINC001247263572 1038041644 /nfs/dbraw/zinc/04/16/44/1038041644.db2.gz DASAFFDEMYWGBZ-UHFFFAOYSA-N -1 3 395.202 3.708 20 0 GHADHM [O-]c1cnc(NC(=S)Nc2c(F)cc(F)cc2F)c(Br)c1 ZINC001247401156 1038168243 /nfs/dbraw/zinc/16/82/43/1038168243.db2.gz NJKUSTVAYBQUSY-UHFFFAOYSA-N -1 3 378.173 3.776 20 0 GHADHM COC(=O)c1ccc(CN2CCN(Cc3cccc([O-])c3Cl)[C@@H](C)C2)cc1 ZINC001232788319 1038555201 /nfs/dbraw/zinc/55/52/01/1038555201.db2.gz MSTCENKEUOGOQW-HNNXBMFYSA-N -1 3 388.895 3.539 20 0 GHADHM C[C@@H]1CCN(Cc2ccc([O-])c(I)c2)CCC1(F)F ZINC001232868956 1038635938 /nfs/dbraw/zinc/63/59/38/1038635938.db2.gz YGWVACMHJJQITG-SNVBAGLBSA-N -1 3 381.204 3.864 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232887134 1038668540 /nfs/dbraw/zinc/66/85/40/1038668540.db2.gz FUOVARXGAIMETE-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM O=C(c1ccccc1)N1CCC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232935352 1038716776 /nfs/dbraw/zinc/71/67/76/1038716776.db2.gz FRTNGLZGAXKTAV-UHFFFAOYSA-N -1 3 386.442 3.799 20 0 GHADHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC001252263173 1038916370 /nfs/dbraw/zinc/91/63/70/1038916370.db2.gz GIAAPOCTUADTBX-LRDDRELGSA-N -1 3 378.806 3.742 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cccc(C)c1F ZINC001462331058 1070177878 /nfs/dbraw/zinc/17/78/78/1070177878.db2.gz VGULDKOFIAQZPS-UHFFFAOYSA-N -1 3 396.459 3.627 20 0 GHADHM FC1(F)CCN(Cc2ccc([S-])cc2)C[C@]12CCN(c1cnccn1)C2 ZINC001233260593 1039030199 /nfs/dbraw/zinc/03/01/99/1039030199.db2.gz KIZGDFDWKSLOIL-SFHVURJKSA-N -1 3 376.476 3.503 20 0 GHADHM COC(=O)c1ccc(OC2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC001233395549 1039229636 /nfs/dbraw/zinc/22/96/36/1039229636.db2.gz BEZYTNIAXARJQM-UHFFFAOYSA-N -1 3 377.387 3.500 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)Cc2ccccc2)c1Br ZINC001252889215 1039233009 /nfs/dbraw/zinc/23/30/09/1039233009.db2.gz ZVNNTLVLFRAEJO-UHFFFAOYSA-N -1 3 398.278 3.602 20 0 GHADHM COc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c(Cl)c1[O-] ZINC001233401711 1039242755 /nfs/dbraw/zinc/24/27/55/1039242755.db2.gz KWNRTFVZHAZNGX-OCCSQVGLSA-N -1 3 384.904 3.932 20 0 GHADHM COC(=O)C1=C[C@@H](Oc2c(Cl)ccc([O-])c2F)CN(Cc2ccccc2)C1 ZINC001234263393 1039943306 /nfs/dbraw/zinc/94/33/06/1039943306.db2.gz ZDMPUSWBRBPIJQ-OAHLLOKOSA-N -1 3 391.826 3.547 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(Cl)cc1Cl ZINC001254038897 1039968571 /nfs/dbraw/zinc/96/85/71/1039968571.db2.gz ZLHFTXLBWDVSBL-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)[C@@]1(C)C[C@@H](Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234380643 1039991700 /nfs/dbraw/zinc/99/17/00/1039991700.db2.gz IFMZXHKLLVZVJE-NHPVSCMHSA-N -1 3 380.396 3.886 20 0 GHADHM COC(=O)[C@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-])C(F)(F)F ZINC001234380157 1039992098 /nfs/dbraw/zinc/99/20/98/1039992098.db2.gz SFPVEOJSPAJPCY-KRWDZBQOSA-N -1 3 394.301 3.648 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)[C@H](F)C1 ZINC001234688030 1040219004 /nfs/dbraw/zinc/21/90/04/1040219004.db2.gz CWQCDCOFGLUAAB-CABCVRRESA-N -1 3 389.427 3.576 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1C(C)=O ZINC001234794090 1040324600 /nfs/dbraw/zinc/32/46/00/1040324600.db2.gz YIGLJQSFAPLJKI-MLGOLLRUSA-N -1 3 393.480 3.936 20 0 GHADHM O=C(NCC1CCCC1)[C@@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001277918639 1040575055 /nfs/dbraw/zinc/57/50/55/1040575055.db2.gz KUCNHIRLDDGSEN-KRWDZBQOSA-N -1 3 376.928 3.954 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(Cl)cc1 ZINC001255353920 1040958467 /nfs/dbraw/zinc/95/84/67/1040958467.db2.gz PRZAGCKXYSFKLF-QGZVFWFLSA-N -1 3 381.881 3.656 20 0 GHADHM O=c1c(-c2nnc([C@@H]3CCN(Cc4ccccc4)C3)o2)c[n-]c2c(F)cccc12 ZINC001255395894 1040983205 /nfs/dbraw/zinc/98/32/05/1040983205.db2.gz JEMDEMSNGLCFAT-OAHLLOKOSA-N -1 3 390.418 3.707 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC001255802143 1041310150 /nfs/dbraw/zinc/31/01/50/1041310150.db2.gz NIWRZTYBLNBSQY-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM O=C([N-]CC1CN(Cc2ccc(Sc3ccccc3)cc2)C1)C(F)(F)F ZINC001462536138 1070337866 /nfs/dbraw/zinc/33/78/66/1070337866.db2.gz URCMTBOXPLSRNO-UHFFFAOYSA-N -1 3 380.435 3.948 20 0 GHADHM O=S(=O)(c1ccccc1)n1ccc2cnc(-c3cc([O-])cc(Cl)c3)nc21 ZINC001235898148 1041418381 /nfs/dbraw/zinc/41/83/81/1041418381.db2.gz BAVPRPPHCGCHHD-UHFFFAOYSA-N -1 3 385.832 3.694 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](OCc2ccccc2)CC1)c1ccc(F)cc1F ZINC001255977156 1041452518 /nfs/dbraw/zinc/45/25/18/1041452518.db2.gz IFPFIOMDHAJHIG-QAQDUYKDSA-N -1 3 381.444 3.771 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c(C)cc1Cl ZINC001256195959 1041641834 /nfs/dbraw/zinc/64/18/34/1041641834.db2.gz WRGYFIGBEYELSK-UHFFFAOYSA-N -1 3 398.887 3.733 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236686594 1041831260 /nfs/dbraw/zinc/83/12/60/1041831260.db2.gz ZJWFDWMKXFYZLS-CQSZACIVSA-N -1 3 399.329 3.891 20 0 GHADHM [O-]c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)ccc1Br ZINC001236692323 1041834793 /nfs/dbraw/zinc/83/47/93/1041834793.db2.gz OFMUXSBOPZFIJP-QPJJXVBHSA-N -1 3 387.321 3.986 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CCN(Cc1sc(=O)[n-]c1Cl)CC2 ZINC001237147813 1042064886 /nfs/dbraw/zinc/06/48/86/1042064886.db2.gz BWAQLDMOOJKVTE-UHFFFAOYSA-N -1 3 387.933 3.868 20 0 GHADHM [O-]c1c(Cl)nc(Cl)cc1CN1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001237521447 1042248816 /nfs/dbraw/zinc/24/88/16/1042248816.db2.gz BVIPBGVAMJAUOF-UHFFFAOYSA-N -1 3 391.258 3.745 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3sc(N)nc3c2)c(C)c1C ZINC001237825242 1042387965 /nfs/dbraw/zinc/38/79/65/1042387965.db2.gz HIMOGBYAWWWZMW-UHFFFAOYSA-N -1 3 377.491 3.613 20 0 GHADHM [O-]c1c(F)cc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001237991640 1042446876 /nfs/dbraw/zinc/44/68/76/1042446876.db2.gz KINOZUUEJSZLQX-WBVHZDCISA-N -1 3 394.849 3.661 20 0 GHADHM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Br ZINC001237994901 1042449140 /nfs/dbraw/zinc/44/91/40/1042449140.db2.gz UWTQUFAGGDGSDK-UHFFFAOYSA-N -1 3 379.638 3.625 20 0 GHADHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)c([O-])cc1F)[C@H]2C ZINC001238145107 1042502859 /nfs/dbraw/zinc/50/28/59/1042502859.db2.gz GVCOBGWTUZQIPI-ZDUSSCGKSA-N -1 3 380.895 3.798 20 0 GHADHM O=C1Nc2c(cccc2F)C12CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001238145596 1042503383 /nfs/dbraw/zinc/50/33/83/1042503383.db2.gz AYJWQCNNIVBXBE-UHFFFAOYSA-N -1 3 378.806 3.810 20 0 GHADHM CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1C(=O)[O-] ZINC001238237183 1042528657 /nfs/dbraw/zinc/52/86/57/1042528657.db2.gz UXDRYOSGXDXKAG-MQVJKMGUSA-N -1 3 378.444 3.544 20 0 GHADHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001462694560 1070476778 /nfs/dbraw/zinc/47/67/78/1070476778.db2.gz JXDIMMBWWVPRIS-GFCCVEGCSA-N -1 3 386.286 3.888 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC001462701008 1070481499 /nfs/dbraw/zinc/48/14/99/1070481499.db2.gz KDMDATDTQISFKA-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)C1CCOCC1)c1ccc(Cl)s1 ZINC001256542420 1043495651 /nfs/dbraw/zinc/49/56/51/1043495651.db2.gz VMXAQLDGAUVHAS-MRXNPFEDSA-N -1 3 389.901 3.987 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)C1CCOCC1)c1ccc(Cl)s1 ZINC001256542419 1043496579 /nfs/dbraw/zinc/49/65/79/1043496579.db2.gz VMXAQLDGAUVHAS-INIZCTEOSA-N -1 3 389.901 3.987 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1Br)c1ccc(Cl)s1 ZINC001256562576 1043537104 /nfs/dbraw/zinc/53/71/04/1043537104.db2.gz FNGQITNAPCICRI-UHFFFAOYSA-N -1 3 386.745 3.747 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-]Cc2nc(Cc3ccccc3F)no2)cc1 ZINC001462734557 1070507442 /nfs/dbraw/zinc/50/74/42/1070507442.db2.gz ZWLNUKCQOYRHOD-UHFFFAOYSA-N -1 3 375.350 3.516 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c2cccnc12 ZINC001292024432 1043568800 /nfs/dbraw/zinc/56/88/00/1043568800.db2.gz CJVMZFKXUKSXBD-UHFFFAOYSA-N -1 3 379.803 3.991 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)cc1F ZINC001462742204 1070515136 /nfs/dbraw/zinc/51/51/36/1070515136.db2.gz XTFIEKGZPZTAMY-UHFFFAOYSA-N -1 3 377.865 3.997 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nnc(CC2CCCCC2)o1 ZINC001257032280 1043810561 /nfs/dbraw/zinc/81/05/61/1043810561.db2.gz VQPFSIBWWALRSK-LBPRGKRZSA-N -1 3 383.901 3.885 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC(C)(C)N1O ZINC001257770508 1044162064 /nfs/dbraw/zinc/16/20/64/1044162064.db2.gz GZHKWKVOGUZJAV-UHFFFAOYSA-N -1 3 381.325 3.683 20 0 GHADHM CC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257779943 1044167536 /nfs/dbraw/zinc/16/75/36/1044167536.db2.gz AHTVUWBHHROLIU-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM CCOC(=O)c1csc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC001257785744 1044169742 /nfs/dbraw/zinc/16/97/42/1044169742.db2.gz QTZNJYZNCWUWNW-UHFFFAOYSA-N -1 3 394.301 3.710 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)c1 ZINC001462813023 1070563206 /nfs/dbraw/zinc/56/32/06/1070563206.db2.gz DSBJSFYJIUKEIY-GOSISDBHSA-N -1 3 393.480 3.986 20 0 GHADHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)cn1 ZINC001294281523 1044566001 /nfs/dbraw/zinc/56/60/01/1044566001.db2.gz DGFBLXQSLXTIJR-UHFFFAOYSA-N -1 3 389.185 3.583 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001462849829 1070595398 /nfs/dbraw/zinc/59/53/98/1070595398.db2.gz QDMLMRDJJTYHAN-AAEUAGOBSA-N -1 3 399.406 3.598 20 0 GHADHM O=c1[nH]cc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258833005 1044777820 /nfs/dbraw/zinc/77/78/20/1044777820.db2.gz FFYUFNBFHZVCKE-UHFFFAOYSA-N -1 3 396.255 3.957 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](O)c1ccc(F)cc1 ZINC001294752844 1044783618 /nfs/dbraw/zinc/78/36/18/1044783618.db2.gz CODONGAYQFMCAW-QRQCRPRQSA-N -1 3 379.431 3.974 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC001258917305 1044874402 /nfs/dbraw/zinc/87/44/02/1044874402.db2.gz XLGWSQPVOXDGON-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM Cc1nc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(Cl)cc1Cl ZINC001258966654 1044910615 /nfs/dbraw/zinc/91/06/15/1044910615.db2.gz FDVIKMKMOGVCBW-QFYYESIMSA-N -1 3 391.320 3.834 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c(Cl)c1 ZINC001258986741 1044919296 /nfs/dbraw/zinc/91/92/96/1044919296.db2.gz AWCBPRVXRBGNJV-FZKQIMNGSA-N -1 3 383.897 3.680 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(Cl)ccc21)c1ccc(Br)s1 ZINC001259061905 1044943067 /nfs/dbraw/zinc/94/30/67/1044943067.db2.gz GKXUOROFAUPDAD-SECBINFHSA-N -1 3 394.699 3.576 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Cl)c1ccc(F)c(F)c1F ZINC001259074455 1044948750 /nfs/dbraw/zinc/94/87/50/1044948750.db2.gz VRXJJDVZZIGIBB-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1[O-] ZINC001295449048 1045018984 /nfs/dbraw/zinc/01/89/84/1045018984.db2.gz XDTBRRPLNLLAAZ-UHFFFAOYSA-N -1 3 375.428 3.985 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C)cc2)cc(C(F)(F)F)c1 ZINC001259263995 1045050657 /nfs/dbraw/zinc/05/06/57/1045050657.db2.gz ABNDEVJBRSHUPK-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC001259312748 1045072982 /nfs/dbraw/zinc/07/29/82/1045072982.db2.gz BOSSLMMKCROAHJ-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(C(F)(F)F)ccc2c1)c1ccc2c(c1)CCO2 ZINC001259356729 1045096889 /nfs/dbraw/zinc/09/68/89/1045096889.db2.gz VSVYAVQSFQUISF-UHFFFAOYSA-N -1 3 394.374 3.989 20 0 GHADHM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc(-n2cccn2)cc1 ZINC001259369907 1045105536 /nfs/dbraw/zinc/10/55/36/1045105536.db2.gz ANOCQZGSISTENN-UHFFFAOYSA-N -1 3 375.453 3.925 20 0 GHADHM O=S(=O)([N-]CC1(Cc2ccccc2)CCOCC1)c1cccc(Cl)c1F ZINC001259473555 1045185497 /nfs/dbraw/zinc/18/54/97/1045185497.db2.gz SWQZZGPNHBRXGR-UHFFFAOYSA-N -1 3 397.899 3.797 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(Cl)cn1)C1CC1)c1cccc(Cl)c1F ZINC001259473584 1045185689 /nfs/dbraw/zinc/18/56/89/1045185689.db2.gz VYXHMQGPQGBZCH-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259486534 1045196344 /nfs/dbraw/zinc/19/63/44/1045196344.db2.gz JTFWKINYSSDVPH-UHFFFAOYSA-N -1 3 377.224 3.839 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](OCc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC001259494693 1045202280 /nfs/dbraw/zinc/20/22/80/1045202280.db2.gz OLMZYVOADLYPSM-SHTZXODSSA-N -1 3 399.434 3.910 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC001259502348 1045208095 /nfs/dbraw/zinc/20/80/95/1045208095.db2.gz OYXBMSSQAXKPQV-UHFFFAOYSA-N -1 3 379.787 3.505 20 0 GHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001296066419 1045241886 /nfs/dbraw/zinc/24/18/86/1045241886.db2.gz XLWBMZRDZDBMHT-JTQLQIEISA-N -1 3 388.418 3.557 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1 ZINC001259717508 1045273858 /nfs/dbraw/zinc/27/38/58/1045273858.db2.gz UWNMVPADCFLODK-UHFFFAOYSA-N -1 3 379.457 3.809 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(I)cc1[O-] ZINC001296284210 1045295788 /nfs/dbraw/zinc/29/57/88/1045295788.db2.gz ZMIQVSOVDILMEH-HZMBPMFUSA-N -1 3 389.233 3.531 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1cccc(OC(F)(F)F)c1F ZINC001259773490 1045296923 /nfs/dbraw/zinc/29/69/23/1045296923.db2.gz PYGTZJNMQLBYAI-UHFFFAOYSA-N -1 3 381.322 3.848 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c(Cl)c1 ZINC001296345627 1045302440 /nfs/dbraw/zinc/30/24/40/1045302440.db2.gz WAPOBBIRKDWTPW-UHFFFAOYSA-N -1 3 390.892 3.794 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)c1 ZINC001296447417 1045316478 /nfs/dbraw/zinc/31/64/78/1045316478.db2.gz AUTFSXFVGJAICS-UHFFFAOYSA-N -1 3 397.862 3.634 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1ccc2scnc2c1Br ZINC001259872232 1045325770 /nfs/dbraw/zinc/32/57/70/1045325770.db2.gz KPYLQIFRKRYGFI-UHFFFAOYSA-N -1 3 389.218 3.753 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001296543851 1045335085 /nfs/dbraw/zinc/33/50/85/1045335085.db2.gz XNOHNIGUKDVNNS-LBPRGKRZSA-N -1 3 377.282 3.799 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@H](c1cccnc1)C(F)(F)F ZINC001260135576 1045391679 /nfs/dbraw/zinc/39/16/79/1045391679.db2.gz AUJNWFNPUIUQGS-MRXNPFEDSA-N -1 3 381.379 3.520 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)c1 ZINC001260140690 1045393925 /nfs/dbraw/zinc/39/39/25/1045393925.db2.gz IRBVLGWITCGFSS-UHFFFAOYSA-N -1 3 391.836 3.732 20 0 GHADHM COc1c(F)cccc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260208064 1045415130 /nfs/dbraw/zinc/41/51/30/1045415130.db2.gz DXZLMESSCLITMY-MRVPVSSYSA-N -1 3 379.787 3.805 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC001296987192 1045418988 /nfs/dbraw/zinc/41/89/88/1045418988.db2.gz XQNHCYWISYEFHI-INIZCTEOSA-N -1 3 394.537 3.880 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc4c(c3)CC(=O)C4)c1C)CC(C)(C)O2 ZINC001260247558 1045427267 /nfs/dbraw/zinc/42/72/67/1045427267.db2.gz OVTUDPDGDGJPLR-UHFFFAOYSA-N -1 3 399.512 3.794 20 0 GHADHM O=S(=O)([N-]c1cc(F)nc(F)c1F)c1cc(C(F)(F)F)ccc1Cl ZINC001260265823 1045432463 /nfs/dbraw/zinc/43/24/63/1045432463.db2.gz FHSDBFRHJNOKKN-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3c(Cl)ncc4ccccc43)ccc2o1 ZINC001260446802 1045496992 /nfs/dbraw/zinc/49/69/92/1045496992.db2.gz CGXDNSLYDNPLMB-UHFFFAOYSA-N -1 3 386.816 3.795 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC001260495498 1045516329 /nfs/dbraw/zinc/51/63/29/1045516329.db2.gz VAZJJCLTDMLDFR-UHFFFAOYSA-N -1 3 386.395 3.986 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(CC2CCC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC001260560237 1045548098 /nfs/dbraw/zinc/54/80/98/1045548098.db2.gz LNSCCEAGDIOKFG-LBPRGKRZSA-N -1 3 397.755 3.800 20 0 GHADHM CC(C)Cn1cnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC001260560311 1045548454 /nfs/dbraw/zinc/54/84/54/1045548454.db2.gz OWMHZNHQSLYMRR-UHFFFAOYSA-N -1 3 396.727 3.978 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2F)cc1 ZINC001260569356 1045553670 /nfs/dbraw/zinc/55/36/70/1045553670.db2.gz CFLPDIPIUNNKMC-UHFFFAOYSA-N -1 3 378.469 3.719 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-]Cc1cc(-c2cccc(Cl)c2)no1 ZINC001260630675 1045580578 /nfs/dbraw/zinc/58/05/78/1045580578.db2.gz YIRDAKZFVQETIH-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM C[C@H](NC(=O)c1cc2ccc(F)cc2s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297605942 1045586540 /nfs/dbraw/zinc/58/65/40/1045586540.db2.gz DZABJNVQEGUABD-QWRGUYRKSA-N -1 3 387.436 3.534 20 0 GHADHM C/C(=C\C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC001297608707 1045587215 /nfs/dbraw/zinc/58/72/15/1045587215.db2.gz BKJQODIKVQUHPY-MRUDHYOASA-N -1 3 387.867 3.623 20 0 GHADHM CCc1ccc([C@@H](O)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001297667109 1045600305 /nfs/dbraw/zinc/60/03/05/1045600305.db2.gz SLKXCXMMRNMQSO-AWEZNQCLSA-N -1 3 391.493 3.516 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OCc1ccccc1 ZINC001260699240 1045615500 /nfs/dbraw/zinc/61/55/00/1045615500.db2.gz SLYOHTFJSZOGRL-GOSISDBHSA-N -1 3 395.908 3.672 20 0 GHADHM CCCC[C@](CC)([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCC ZINC001260837291 1045705586 /nfs/dbraw/zinc/70/55/86/1045705586.db2.gz RDKWSEDRDLKAQN-KRWDZBQOSA-N -1 3 375.918 3.662 20 0 GHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261011069 1045828895 /nfs/dbraw/zinc/82/88/95/1045828895.db2.gz GGELJJVRLSDMNL-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC3)cc1Br ZINC001261034872 1045856378 /nfs/dbraw/zinc/85/63/78/1045856378.db2.gz XZKBMEUGLVQOIY-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1 ZINC001261063834 1045883305 /nfs/dbraw/zinc/88/33/05/1045883305.db2.gz LNJKCBHELIPYGO-MRVPVSSYSA-N -1 3 394.301 3.881 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCCC1CCCCC1 ZINC001261064130 1045883602 /nfs/dbraw/zinc/88/36/02/1045883602.db2.gz QVYIYERIUUPAAT-UHFFFAOYSA-N -1 3 379.931 3.827 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC)C1CCCCC1 ZINC001261066214 1045884941 /nfs/dbraw/zinc/88/49/41/1045884941.db2.gz NOZJLDFMJKYVEG-NSHDSACASA-N -1 3 379.931 3.825 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(C)(C)C)c(F)c1 ZINC001462992890 1070715257 /nfs/dbraw/zinc/71/52/57/1070715257.db2.gz UXGMFJLORLFPNS-HUUCEWRRSA-N -1 3 385.501 3.743 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1ccc(C(F)(F)F)nc1Cl ZINC001261252240 1045940989 /nfs/dbraw/zinc/94/09/89/1045940989.db2.gz CWLQTBCWFJLROP-LLVKDONJSA-N -1 3 394.777 3.859 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001261580646 1046035433 /nfs/dbraw/zinc/03/54/33/1046035433.db2.gz WMLCNOFSYKDIMS-HLTSFMKQSA-N -1 3 386.247 3.714 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)[n-]n1 ZINC001299814513 1046051693 /nfs/dbraw/zinc/05/16/93/1046051693.db2.gz WHFUVZWXHBOBQQ-UHFFFAOYSA-N -1 3 380.448 3.931 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)n[n-]1 ZINC001299814513 1046051708 /nfs/dbraw/zinc/05/17/08/1046051708.db2.gz WHFUVZWXHBOBQQ-UHFFFAOYSA-N -1 3 380.448 3.931 20 0 GHADHM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001299890413 1046083381 /nfs/dbraw/zinc/08/33/81/1046083381.db2.gz VPSDRUMWMQFJLY-UKRRQHHQSA-N -1 3 397.272 3.824 20 0 GHADHM O=C(Nc1ccc(Br)c2ncccc12)c1cc2c(cc1[O-])OCO2 ZINC001300938010 1046251015 /nfs/dbraw/zinc/25/10/15/1046251015.db2.gz IGJOYWPCRBCDMU-UHFFFAOYSA-N -1 3 387.189 3.684 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1 ZINC001463054218 1070760120 /nfs/dbraw/zinc/76/01/20/1070760120.db2.gz DTKSRMVAEBVQDN-UHFFFAOYSA-N -1 3 387.432 3.552 20 0 GHADHM CC[C@H](C)CCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001301058309 1046313230 /nfs/dbraw/zinc/31/32/30/1046313230.db2.gz BXFLAQVDZUQQHP-USXIJHARSA-N -1 3 384.442 3.876 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1cccc(Br)c1F ZINC001463095906 1070789591 /nfs/dbraw/zinc/78/95/91/1070789591.db2.gz LNHUAEVBFUKMPX-OAHLLOKOSA-N -1 3 398.297 3.888 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(OC(C)C)CC1 ZINC001263007893 1046494984 /nfs/dbraw/zinc/49/49/84/1046494984.db2.gz GRYXYLLJIOJJKI-UHFFFAOYSA-N -1 3 392.931 3.836 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC=CC23CCCCC3)ccc1F ZINC001301577030 1046605761 /nfs/dbraw/zinc/60/57/61/1046605761.db2.gz PQXMERLFZMIWBV-UHFFFAOYSA-N -1 3 394.512 3.617 20 0 GHADHM CCc1sc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1C ZINC001301892353 1046748073 /nfs/dbraw/zinc/74/80/73/1046748073.db2.gz KFICWOGPTTVOTH-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1sc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1C ZINC001301892353 1046748081 /nfs/dbraw/zinc/74/80/81/1046748081.db2.gz KFICWOGPTTVOTH-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(Cl)ncc1C ZINC001302294424 1046903104 /nfs/dbraw/zinc/90/31/04/1046903104.db2.gz VDEFWTUQIAJXSJ-UHFFFAOYSA-N -1 3 399.838 3.588 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCc3ccc([O-])c(F)c3)CC2)CC1 ZINC001263768839 1047101480 /nfs/dbraw/zinc/10/14/80/1047101480.db2.gz HGXNRHPEINUILW-UHFFFAOYSA-N -1 3 392.471 3.575 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1F ZINC000385879164 1047258803 /nfs/dbraw/zinc/25/88/03/1047258803.db2.gz LDDBFJBMGDLUIJ-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001463203088 1070907813 /nfs/dbraw/zinc/90/78/13/1070907813.db2.gz KOUABWULZAQRNX-HOTGVXAUSA-N -1 3 384.270 3.597 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)s2)cs1 ZINC001304108158 1047588291 /nfs/dbraw/zinc/58/82/91/1047588291.db2.gz UVGKUDUHVFOQPT-UHFFFAOYSA-N -1 3 376.463 3.721 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)s2)cs1 ZINC001304108158 1047588293 /nfs/dbraw/zinc/58/82/93/1047588293.db2.gz UVGKUDUHVFOQPT-UHFFFAOYSA-N -1 3 376.463 3.721 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Oc1ccccc1F ZINC001463247742 1070938340 /nfs/dbraw/zinc/93/83/40/1070938340.db2.gz QYVMQZFXDCRXMW-JTQLQIEISA-N -1 3 393.267 3.663 20 0 GHADHM CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001266024940 1047703133 /nfs/dbraw/zinc/70/31/33/1047703133.db2.gz WBJPQDLAVLNFGU-RHSMWYFYSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cccc(OCCCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001304565140 1047714290 /nfs/dbraw/zinc/71/42/90/1047714290.db2.gz BMUGPORUPCPBQV-UHFFFAOYSA-N -1 3 393.443 3.873 20 0 GHADHM Cc1cccc(OCCCC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001304565140 1047714294 /nfs/dbraw/zinc/71/42/94/1047714294.db2.gz BMUGPORUPCPBQV-UHFFFAOYSA-N -1 3 393.443 3.873 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cc([O-])cc(Cl)c1)C2 ZINC001279119172 1047725795 /nfs/dbraw/zinc/72/57/95/1047725795.db2.gz QCADJQLVJIZHBQ-JXFKEZNVSA-N -1 3 378.900 3.593 20 0 GHADHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(-c2ccccc2)ccc1Cl ZINC001304645617 1047739725 /nfs/dbraw/zinc/73/97/25/1047739725.db2.gz APGMYYLFRFRRGW-MRXNPFEDSA-N -1 3 394.862 3.511 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304814495 1047779879 /nfs/dbraw/zinc/77/98/79/1047779879.db2.gz OBPWSEBKTOKWGO-JCNLHEQBSA-N -1 3 392.459 3.531 20 0 GHADHM CNc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304818940 1047781569 /nfs/dbraw/zinc/78/15/69/1047781569.db2.gz CGCNKXDJBAJQIB-AULYBMBSSA-N -1 3 394.397 3.699 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC001306725403 1048853895 /nfs/dbraw/zinc/85/38/95/1048853895.db2.gz NENLFQWYUFROPX-IFXJQAMLSA-N -1 3 375.440 3.952 20 0 GHADHM Clc1ccc(-c2noc(CCCCCCN=c3ncnc4[nH][n-]cc3-4)n2)cc1 ZINC001307103032 1049075842 /nfs/dbraw/zinc/07/58/42/1049075842.db2.gz PEHICLFCPUWHSC-UHFFFAOYSA-N -1 3 397.870 3.645 20 0 GHADHM CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001307660286 1049485567 /nfs/dbraw/zinc/48/55/67/1049485567.db2.gz PKGVDORGLKLWKA-UHFFFAOYSA-N -1 3 398.507 3.587 20 0 GHADHM COC(=O)c1ccc(OC)c(F)c1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC001289439433 1049487530 /nfs/dbraw/zinc/48/75/30/1049487530.db2.gz BOZRQNVLUVBCAQ-UHFFFAOYSA-N -1 3 376.365 3.590 20 0 GHADHM Cc1nc(-c2ccccc2)oc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001307960153 1049722665 /nfs/dbraw/zinc/72/26/65/1049722665.db2.gz HWXQSKVERSIEOR-DOMZBBRYSA-N -1 3 381.398 3.539 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCCC1 ZINC001309059872 1050312239 /nfs/dbraw/zinc/31/22/39/1050312239.db2.gz DEBAWZHRIFVSCH-SFHVURJKSA-N -1 3 384.505 3.638 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC001327964860 1050339300 /nfs/dbraw/zinc/33/93/00/1050339300.db2.gz BJURCTCKKYJBGF-UHFFFAOYSA-N -1 3 386.814 3.916 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(F)c1 ZINC001309245592 1050514158 /nfs/dbraw/zinc/51/41/58/1050514158.db2.gz SFINTQKYWNSPDB-NSHDSACASA-N -1 3 381.400 3.765 20 0 GHADHM CON(C(=O)CCc1c(C)nc[n-]c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001328594666 1050554462 /nfs/dbraw/zinc/55/44/62/1050554462.db2.gz SYADXAXNANYWJH-LBPRGKRZSA-N -1 3 383.370 3.593 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(Cl)c(F)c1 ZINC001309324620 1050593160 /nfs/dbraw/zinc/59/31/60/1050593160.db2.gz HOQVSSLRQGNQHA-INIZCTEOSA-N -1 3 399.871 3.597 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1ccc(Cl)cc1 ZINC001309448791 1050726317 /nfs/dbraw/zinc/72/63/17/1050726317.db2.gz JXOQGAGTOWGOAC-ZDUSSCGKSA-N -1 3 375.824 3.593 20 0 GHADHM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 ZINC001309485888 1050756440 /nfs/dbraw/zinc/75/64/40/1050756440.db2.gz JPPGOPBFESMVAT-HNNXBMFYSA-N -1 3 388.316 3.876 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1cccc(OC(F)(F)F)c1F ZINC001309568631 1050820286 /nfs/dbraw/zinc/82/02/86/1050820286.db2.gz GQPSOBPYKJSELJ-CMPLNLGQSA-N -1 3 393.333 3.698 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@]12C[C@H]1CCCC2 ZINC001309759299 1050959221 /nfs/dbraw/zinc/95/92/21/1050959221.db2.gz YAKLXUZXZVAEQJ-RWSFTLGLSA-N -1 3 381.391 3.971 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@](C)(Cc1ccccc1)C(C)C ZINC001309763476 1050961430 /nfs/dbraw/zinc/96/14/30/1050961430.db2.gz OXLSLHGVWKQDLS-FQEVSTJZSA-N -1 3 393.480 3.548 20 0 GHADHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001309892376 1051027493 /nfs/dbraw/zinc/02/74/93/1051027493.db2.gz OXKVUZMPJFHPNB-UHFFFAOYSA-N -1 3 398.790 3.576 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(Cl)cc1C(F)(F)F ZINC001309907175 1051036936 /nfs/dbraw/zinc/03/69/36/1051036936.db2.gz FLTNHBOTJDCICK-WCQYABFASA-N -1 3 383.819 3.595 20 0 GHADHM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)O1 ZINC001309927272 1051050074 /nfs/dbraw/zinc/05/00/74/1051050074.db2.gz QXHNYKGVHKIMJH-SNVBAGLBSA-N 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ZINC001317825560 1054270449 /nfs/dbraw/zinc/27/04/49/1054270449.db2.gz RPDXGLMOIJUVEK-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cccc([O-])c1F)Cc1ccccc1 ZINC000762313180 1054356197 /nfs/dbraw/zinc/35/61/97/1054356197.db2.gz TZAYFNWTLCMBCX-OAHLLOKOSA-N -1 3 388.439 3.996 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001318227923 1054513140 /nfs/dbraw/zinc/51/31/40/1054513140.db2.gz ASAODEASTCIECL-UHFFFAOYSA-N -1 3 393.491 3.604 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cc(C)c3ncccc23)cc1 ZINC001318631040 1054759453 /nfs/dbraw/zinc/75/94/53/1054759453.db2.gz LRWBOKNMIPHIMJ-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM CC[C@@H]1c2ccccc2CN1c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCCCO1 ZINC001345545038 1055094324 /nfs/dbraw/zinc/09/43/24/1055094324.db2.gz CBPYFSRFHDOOQZ-CRAIPNDOSA-N -1 3 395.463 3.679 20 0 GHADHM CCCN(Cc1ccc2c(c1)CCC(=O)N2C)Cc1nc(=O)c2sccc2[n-]1 ZINC001320415997 1055792817 /nfs/dbraw/zinc/79/28/17/1055792817.db2.gz FFWSOMJUMQTRQF-UHFFFAOYSA-N -1 3 396.516 3.718 20 0 GHADHM Cc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c(-c2ccnn2C)c1 ZINC001321326846 1056225062 /nfs/dbraw/zinc/22/50/62/1056225062.db2.gz YHNHWVPEVVARQI-UHFFFAOYSA-N -1 3 379.489 3.738 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCc4ccccc4O3)c2)n1 ZINC001354077367 1056321619 /nfs/dbraw/zinc/32/16/19/1056321619.db2.gz ACMVLPIICNGFPJ-IBGZPJMESA-N -1 3 375.428 3.744 20 0 GHADHM Cn1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C(F)(F)F)c1 ZINC001321879990 1056429807 /nfs/dbraw/zinc/42/98/07/1056429807.db2.gz LLWSJHKHGJLAHG-UHFFFAOYSA-N -1 3 375.310 3.828 20 0 GHADHM Cn1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C(F)(F)F)c1 ZINC001321879990 1056429809 /nfs/dbraw/zinc/42/98/09/1056429809.db2.gz LLWSJHKHGJLAHG-UHFFFAOYSA-N -1 3 375.310 3.828 20 0 GHADHM CN(C)C(=O)Sc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC000848070917 1056543235 /nfs/dbraw/zinc/54/32/35/1056543235.db2.gz UZGLAAOTVSHXGP-UHFFFAOYSA-N -1 3 392.868 3.739 20 0 GHADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000848080765 1056571054 /nfs/dbraw/zinc/57/10/54/1056571054.db2.gz QMCYYAFZZREVJX-UHFFFAOYSA-N -1 3 394.305 3.999 20 0 GHADHM CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001322814837 1056855260 /nfs/dbraw/zinc/85/52/60/1056855260.db2.gz HKSABOWWRNRESA-UHFFFAOYSA-N -1 3 388.533 3.690 20 0 GHADHM CCCc1ccc(-c2ccc(NC(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1 ZINC001200801455 1056964338 /nfs/dbraw/zinc/96/43/38/1056964338.db2.gz XMTRZKFWFCXDER-IBGZPJMESA-N -1 3 378.476 3.940 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc4c(c3)oc3ccccc34)cc2n(C)c1=O ZINC001324025408 1057057091 /nfs/dbraw/zinc/05/70/91/1057057091.db2.gz QDKQURGBGWKGAG-UHFFFAOYSA-N -1 3 387.395 3.734 20 0 GHADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001355228392 1057089581 /nfs/dbraw/zinc/08/95/81/1057089581.db2.gz QZCLNYNHVIRLPF-CZUORRHYSA-N -1 3 398.544 3.847 20 0 GHADHM O=C(COC(=O)c1n[n-]c(-c2ccccc2)c1Br)c1cccs1 ZINC001324464450 1057141154 /nfs/dbraw/zinc/14/11/54/1057141154.db2.gz BOCVZBJSXYITEA-UHFFFAOYSA-N -1 3 391.246 3.940 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc(Cl)c(Br)c1 ZINC001324709309 1057208628 /nfs/dbraw/zinc/20/86/28/1057208628.db2.gz DQVDZSYQWFKOPX-UHFFFAOYSA-N -1 3 385.645 3.583 20 0 GHADHM CC(C)c1nc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc(C(C)(C)C)n1 ZINC001325952944 1057387444 /nfs/dbraw/zinc/38/74/44/1057387444.db2.gz ZNEGZDCTMCBMRT-CYBMUJFWSA-N -1 3 386.462 3.792 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)cc1 ZINC001356631933 1057581605 /nfs/dbraw/zinc/58/16/05/1057581605.db2.gz PYXHEGYAADHEQJ-QGPMSJSTSA-N -1 3 395.931 3.618 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@H]3CC34CCCC4)[n-]c2c(Br)c1 ZINC001440028878 1058392200 /nfs/dbraw/zinc/39/22/00/1058392200.db2.gz OEXJVPBZAWAZCW-JTQLQIEISA-N -1 3 392.253 3.631 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001440198717 1058460558 /nfs/dbraw/zinc/46/05/58/1058460558.db2.gz GNHFSSMBAQBESJ-NJAFHUGGSA-N -1 3 398.469 3.807 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2o1 ZINC001338358087 1058526624 /nfs/dbraw/zinc/52/66/24/1058526624.db2.gz FKUMJRHVRCQTHB-UHFFFAOYSA-N -1 3 385.214 3.839 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)c1cccs1 ZINC001440657062 1058561532 /nfs/dbraw/zinc/56/15/32/1058561532.db2.gz BWHMBGFNQCGWJZ-UHFFFAOYSA-N -1 3 381.413 3.593 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)c3c[n-]ncc3=O)cc2)cc1 ZINC001440666506 1058569750 /nfs/dbraw/zinc/56/97/50/1058569750.db2.gz MLSHAVQEPUFHPH-UHFFFAOYSA-N -1 3 391.427 3.951 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)n2C)cc(=O)[n-]1 ZINC001338744767 1058760050 /nfs/dbraw/zinc/76/00/50/1058760050.db2.gz DQPOKNGOWWITGT-GOSISDBHSA-N -1 3 392.507 3.925 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(Br)ccc3F)cc2o1 ZINC001338808716 1058800423 /nfs/dbraw/zinc/80/04/23/1058800423.db2.gz SJBPXYGREZBZCR-UHFFFAOYSA-N -1 3 385.214 3.839 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)c1 ZINC001441639343 1058830790 /nfs/dbraw/zinc/83/07/90/1058830790.db2.gz GDGKMDWGCUXHHA-UHFFFAOYSA-N -1 3 390.505 3.544 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)c1 ZINC001441696450 1058847294 /nfs/dbraw/zinc/84/72/94/1058847294.db2.gz RRJKPLKVHRUEGF-RBZFPXEDSA-N -1 3 392.459 3.910 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cnc(-c2c(F)cccc2F)s1 ZINC001442023418 1058904875 /nfs/dbraw/zinc/90/48/75/1058904875.db2.gz LXNPXTXADUXWGS-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC001443213295 1059086805 /nfs/dbraw/zinc/08/68/05/1059086805.db2.gz YFRNNDQOHPXQLJ-JTQLQIEISA-N -1 3 389.249 3.530 20 0 GHADHM Cn1ccnc1[C@H]([N-]C(=O)c1cc(C(F)(F)F)cnc1Cl)C(F)(F)F ZINC001339306123 1059091150 /nfs/dbraw/zinc/09/11/50/1059091150.db2.gz AWNQJUDEGSIVBI-QMMMGPOBSA-N -1 3 386.683 3.521 20 0 GHADHM COCCN(CCOc1ccc(F)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001443949651 1059239873 /nfs/dbraw/zinc/23/98/73/1059239873.db2.gz PZUKSVSFIZXJEK-UHFFFAOYSA-N -1 3 383.419 3.852 20 0 GHADHM O=C(NCc1ccccc1OCC1CC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001444471184 1059326370 /nfs/dbraw/zinc/32/63/70/1059326370.db2.gz MYJSCEOKQFARHO-UHFFFAOYSA-N -1 3 384.382 3.525 20 0 GHADHM CSc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC001445213684 1059479669 /nfs/dbraw/zinc/47/96/69/1059479669.db2.gz LGHFPOMAOGTVRC-UHFFFAOYSA-N -1 3 378.881 3.835 20 0 GHADHM CCCC1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC001339818458 1059499855 /nfs/dbraw/zinc/49/98/55/1059499855.db2.gz MHPYTXNNLFPWAX-UHFFFAOYSA-N -1 3 383.514 3.501 20 0 GHADHM COc1ccc(C[C@H]2CCN2C(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001445469338 1059537742 /nfs/dbraw/zinc/53/77/42/1059537742.db2.gz WZQLCRVSTKLEEG-OAHLLOKOSA-N -1 3 376.250 3.621 20 0 GHADHM O=C(N[C@H]1COc2c1cccc2Cl)c1c[n-]c2c(Cl)cccc2c1=O ZINC001445790864 1059617115 /nfs/dbraw/zinc/61/71/15/1059617115.db2.gz TTZNRBZLHOPORB-AWEZNQCLSA-N -1 3 375.211 3.698 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC001445917087 1059654204 /nfs/dbraw/zinc/65/42/04/1059654204.db2.gz BQZKBZAIHHUFDO-UHFFFAOYSA-N -1 3 382.851 3.673 20 0 GHADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001340074591 1059671846 /nfs/dbraw/zinc/67/18/46/1059671846.db2.gz VOASHFOIUBGEIL-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340174319 1059741830 /nfs/dbraw/zinc/74/18/30/1059741830.db2.gz MZAHBPHKTSWDKG-CQSZACIVSA-N -1 3 399.532 3.745 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340173798 1059741905 /nfs/dbraw/zinc/74/19/05/1059741905.db2.gz HYEKTQNMFVPNPQ-YOEHRIQHSA-N -1 3 399.532 3.601 20 0 GHADHM CN(C)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c(C(N)=O)c1 ZINC001446348032 1059761027 /nfs/dbraw/zinc/76/10/27/1059761027.db2.gz ZABRFRHRESLXSA-UHFFFAOYSA-N -1 3 391.427 3.602 20 0 GHADHM O=C(Nc1cc(Br)ccc1O)c1cc([O-])cc(Br)c1 ZINC001447276312 1059943776 /nfs/dbraw/zinc/94/37/76/1059943776.db2.gz IGXQIBMXGHGUJK-UHFFFAOYSA-N -1 3 387.027 3.875 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)cc1 ZINC001340890451 1060225682 /nfs/dbraw/zinc/22/56/82/1060225682.db2.gz JGYGFPSGQWOHCX-SFHVURJKSA-N -1 3 394.479 3.509 20 0 GHADHM CCCCc1ccc(N2C[C@H](C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)CC2=O)cc1 ZINC001450049087 1060511754 /nfs/dbraw/zinc/51/17/54/1060511754.db2.gz AWEXOTSPALXVKZ-OAHLLOKOSA-N -1 3 392.459 3.603 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)CCCOc1ccc(I)cc1 ZINC001450378753 1060582635 /nfs/dbraw/zinc/58/26/35/1060582635.db2.gz XYTHTAGFSWGXSI-LBPRGKRZSA-N -1 3 391.249 3.544 20 0 GHADHM O=C(Nc1ccc(COCCO)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001451929019 1060865696 /nfs/dbraw/zinc/86/56/96/1060865696.db2.gz SDMBZDFAINKHLB-UHFFFAOYSA-N -1 3 391.467 3.939 20 0 GHADHM CCc1ccncc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001452860066 1061033537 /nfs/dbraw/zinc/03/35/37/1061033537.db2.gz GEWGBMODBWNRTE-FQEVSTJZSA-N -1 3 389.455 3.850 20 0 GHADHM COc1cccc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001453805022 1061208461 /nfs/dbraw/zinc/20/84/61/1061208461.db2.gz CJDDJTMRZABULE-UHFFFAOYSA-N -1 3 376.456 3.554 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc2c(c1)CCCO2 ZINC001453818354 1061210966 /nfs/dbraw/zinc/21/09/66/1061210966.db2.gz SQMALSDRGYMBIS-NSHDSACASA-N -1 3 376.250 3.971 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)COC)[C@@H]2CCc3ccccc32)c1 ZINC001454478374 1061798360 /nfs/dbraw/zinc/79/83/60/1061798360.db2.gz VRLRKUMBQDGBPS-MGPUTAFESA-N -1 3 394.471 3.681 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 ZINC001454553831 1061839472 /nfs/dbraw/zinc/83/94/72/1061839472.db2.gz JUGMSMVDQXZGLF-QWHCGFSZSA-N -1 3 380.510 3.632 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(C(F)(F)F)c2)s1)c1nccn2ccnc12 ZINC001454599893 1061875860 /nfs/dbraw/zinc/87/58/60/1061875860.db2.gz XEDPHGYWWUNGLX-UHFFFAOYSA-N -1 3 390.350 3.519 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)c(=O)c2c(OC)c1 ZINC001454683121 1061909259 /nfs/dbraw/zinc/90/92/59/1061909259.db2.gz JNVUNGBNPHEHDX-MRXNPFEDSA-N -1 3 398.846 3.616 20 0 GHADHM CC(C)C[C@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC001455101835 1062004236 /nfs/dbraw/zinc/00/42/36/1062004236.db2.gz YMODWYSYTVUTTR-HNNXBMFYSA-N -1 3 390.833 3.607 20 0 GHADHM COc1nnc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)[n-]1 ZINC001545818619 1062021653 /nfs/dbraw/zinc/02/16/53/1062021653.db2.gz KKIOGDZXKLHKFR-RVDMUPIBSA-N -1 3 386.358 3.594 20 0 GHADHM COc1nc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)n[n-]1 ZINC001545818619 1062021677 /nfs/dbraw/zinc/02/16/77/1062021677.db2.gz KKIOGDZXKLHKFR-RVDMUPIBSA-N -1 3 386.358 3.594 20 0 GHADHM COc1n[n-]c(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)n1 ZINC001545818619 1062021701 /nfs/dbraw/zinc/02/17/01/1062021701.db2.gz KKIOGDZXKLHKFR-RVDMUPIBSA-N -1 3 386.358 3.594 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cnccc2-c2ccc(F)cc2)c([O-])c1 ZINC001455162107 1062031488 /nfs/dbraw/zinc/03/14/88/1062031488.db2.gz LGMVFJFKTOSHDS-UHFFFAOYSA-N -1 3 393.418 3.660 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001455256846 1062077609 /nfs/dbraw/zinc/07/76/09/1062077609.db2.gz QUJKBJLPEJIXCI-VXSCBNMQSA-N -1 3 392.499 3.948 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC001455318155 1062102057 /nfs/dbraw/zinc/10/20/57/1062102057.db2.gz TWKSDKWQYVQCMT-FQEVSTJZSA-N -1 3 385.826 3.625 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc([O-])c(Cl)c3)cc2)C[C@H](C)O1 ZINC001455441221 1062148306 /nfs/dbraw/zinc/14/83/06/1062148306.db2.gz PGWUNFADIKJPKT-GASCZTMLSA-N -1 3 388.895 3.585 20 0 GHADHM COc1cccc(-c2cc(CNC(=O)CCCc3ccc([O-])c(F)c3)on2)c1 ZINC001456280174 1062593075 /nfs/dbraw/zinc/59/30/75/1062593075.db2.gz ZIIUBTNUABPIQK-UHFFFAOYSA-N -1 3 384.407 3.834 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456385940 1062652407 /nfs/dbraw/zinc/65/24/07/1062652407.db2.gz RBEZBKDNFDJXLI-JTQLQIEISA-N -1 3 377.326 3.502 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456386455 1062652522 /nfs/dbraw/zinc/65/25/22/1062652522.db2.gz RBEZBKDNFDJXLI-SNVBAGLBSA-N -1 3 377.326 3.502 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3c(cccc3C3CC3)[nH]2)c([O-])c(OC)c1 ZINC001456747742 1062838880 /nfs/dbraw/zinc/83/88/80/1062838880.db2.gz KFCPHWFIBNOSCI-UHFFFAOYSA-N -1 3 380.400 3.798 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1CCSc2ccccc21 ZINC001456801236 1062864537 /nfs/dbraw/zinc/86/45/37/1062864537.db2.gz PPXKICRZZUGEIS-INIZCTEOSA-N -1 3 393.468 3.985 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1CCSc2ccccc21 ZINC001456801236 1062864557 /nfs/dbraw/zinc/86/45/57/1062864557.db2.gz PPXKICRZZUGEIS-INIZCTEOSA-N -1 3 393.468 3.985 20 0 GHADHM COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001436082431 1063166246 /nfs/dbraw/zinc/16/62/46/1063166246.db2.gz ZJHCUMCRRBIURA-UHFFFAOYSA-N -1 3 391.210 3.874 20 0 GHADHM Cc1nnc([N-]C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)s1 ZINC001348630812 1063248632 /nfs/dbraw/zinc/24/86/32/1063248632.db2.gz UDBYHULGHQUXQJ-UHFFFAOYSA-N -1 3 380.355 3.651 20 0 GHADHM COc1ccccc1C1([N-]C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC001437011210 1063736459 /nfs/dbraw/zinc/73/64/59/1063736459.db2.gz WPSKAIUIWHGBPA-UHFFFAOYSA-N -1 3 397.219 3.750 20 0 GHADHM Cc1ccc(C2(C(=O)OCc3nnc(-c4ccccc4[O-])o3)CCOCC2)cc1 ZINC001349961097 1063953107 /nfs/dbraw/zinc/95/31/07/1063953107.db2.gz PWIGAVONOJILLU-UHFFFAOYSA-N -1 3 394.427 3.542 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)ccc2OC)c(C(=O)OCC)[n-]1 ZINC001458951013 1063967023 /nfs/dbraw/zinc/96/70/23/1063967023.db2.gz DHLZMLODUMXHCF-UHFFFAOYSA-N -1 3 379.844 3.843 20 0 GHADHM Cc1nc(-c2nnc(N(Cc3cccs3)C(C)C)n2CC2CC2)cc(=O)[n-]1 ZINC001350538861 1064118450 /nfs/dbraw/zinc/11/84/50/1064118450.db2.gz XGIMOAOLUOJJFJ-UHFFFAOYSA-N -1 3 384.509 3.636 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CCc2cccc(OCc3ccccc3)c2)s1 ZINC001463350356 1064274123 /nfs/dbraw/zinc/27/41/23/1064274123.db2.gz DBPWMCSLNFBYSV-UHFFFAOYSA-N -1 3 388.514 3.552 20 0 GHADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001463374574 1064293921 /nfs/dbraw/zinc/29/39/21/1064293921.db2.gz HTQJRVNXPFFKRS-LLVKDONJSA-N -1 3 397.909 3.725 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cc(Cl)cc(Br)c1 ZINC001463450239 1064362511 /nfs/dbraw/zinc/36/25/11/1064362511.db2.gz HOKWRYRDBVTHPG-UHFFFAOYSA-N -1 3 388.661 3.959 20 0 GHADHM CCOc1ccc(CN(C)C(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC001351315906 1064370189 /nfs/dbraw/zinc/37/01/89/1064370189.db2.gz SGCAKMOAVOWBEW-UHFFFAOYSA-N -1 3 394.265 3.834 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)[C@H]1CCCO1 ZINC001463460447 1064371501 /nfs/dbraw/zinc/37/15/01/1064371501.db2.gz ODPFPFHFZDBYPX-QWHCGFSZSA-N -1 3 396.734 3.647 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1csnc1-c1ccccc1 ZINC001463754248 1064589154 /nfs/dbraw/zinc/58/91/54/1064589154.db2.gz CRMBWJSPSFKEET-CQSZACIVSA-N -1 3 388.539 3.978 20 0 GHADHM COc1ccc(C[C@H](C)N(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001464705318 1065167084 /nfs/dbraw/zinc/16/70/84/1065167084.db2.gz CJEFVTBQTFVRDV-ZDUSSCGKSA-N -1 3 384.863 3.893 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001464955091 1065289085 /nfs/dbraw/zinc/28/90/85/1065289085.db2.gz DMTJUTCUTCTQID-PRULPYPASA-N -1 3 390.427 3.698 20 0 GHADHM Cc1cc(Br)cc(C)c1NC(=S)Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001200221150 1065634860 /nfs/dbraw/zinc/63/48/60/1065634860.db2.gz ZLMVJPNDHIDTOG-UHFFFAOYSA-N -1 3 385.312 3.659 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1[O-] ZINC001300261159 1065868179 /nfs/dbraw/zinc/86/81/79/1065868179.db2.gz JWLHCXGAURZCQB-HSZRJFAPSA-N -1 3 397.471 3.624 20 0 GHADHM Cc1c2ccccc2[nH]c(=O)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001465961283 1065939197 /nfs/dbraw/zinc/93/91/97/1065939197.db2.gz UFSNXYMTUQAHJI-UHFFFAOYSA-N -1 3 387.233 3.647 20 0 GHADHM COc1cc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1O ZINC001465979688 1065944652 /nfs/dbraw/zinc/94/46/52/1065944652.db2.gz ZLMFXRTVXAAXTH-UHFFFAOYSA-N -1 3 391.467 3.864 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc(=O)[n-]c(C3CC3)n1)CC2 ZINC000847756892 1066059352 /nfs/dbraw/zinc/05/93/52/1066059352.db2.gz PKQHQVAOAYEUAU-UHFFFAOYSA-N -1 3 396.447 3.610 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c2c(O)cccc21 ZINC001353645280 1066107747 /nfs/dbraw/zinc/10/77/47/1066107747.db2.gz QSXPGFIRHWUQKR-LLVKDONJSA-N -1 3 394.880 3.571 20 0 GHADHM Cc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001466632595 1066223444 /nfs/dbraw/zinc/22/34/44/1066223444.db2.gz LXODIYYVBWLGBP-MRXNPFEDSA-N -1 3 375.222 3.595 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)Oc1ccc(Cl)cc1 ZINC001466850851 1066349316 /nfs/dbraw/zinc/34/93/16/1066349316.db2.gz IJKBWSINVRVTDA-JTQLQIEISA-N -1 3 392.789 3.657 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)ccc1F ZINC001358230399 1067447677 /nfs/dbraw/zinc/44/76/77/1067447677.db2.gz ATTNXDHEVHSSDY-DOTOQJQBSA-N -1 3 398.544 3.847 20 0 GHADHM Cc1ccc(C2(CNC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)c(C)c1 ZINC001468469451 1067742693 /nfs/dbraw/zinc/74/26/93/1067742693.db2.gz OHPBGUNMYIBPPR-UHFFFAOYSA-N -1 3 382.410 3.885 20 0 GHADHM COC(=O)[C@H](C)c1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001468970943 1067941654 /nfs/dbraw/zinc/94/16/54/1067941654.db2.gz USJMLYCNMKFWFW-SNVBAGLBSA-N -1 3 378.222 3.684 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3cc4cc(C(C)(C)C)ccc4[nH]3)c2c(=O)n1C ZINC001469293798 1068084147 /nfs/dbraw/zinc/08/41/47/1068084147.db2.gz NRZBXFNUNNGCEH-UHFFFAOYSA-N -1 3 377.448 3.601 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ncco1)c1cc([O-])cc(Br)c1 ZINC001469463423 1068174530 /nfs/dbraw/zinc/17/45/30/1068174530.db2.gz JDFXFAQHHXYQKN-MRXNPFEDSA-N -1 3 387.233 3.857 20 0 GHADHM CCCCCc1ccc(C(=O)CCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001469716164 1068333025 /nfs/dbraw/zinc/33/30/25/1068333025.db2.gz TVOVJNDQENBWKW-GOSISDBHSA-N -1 3 383.492 3.827 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(-c3cccs3)cc2)c([O-])c1 ZINC001469911514 1068466614 /nfs/dbraw/zinc/46/66/14/1068466614.db2.gz FOEWMAIQPCEGEI-UHFFFAOYSA-N -1 3 394.496 3.865 20 0 GHADHM CC[C@H](C)CCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001469930992 1068477407 /nfs/dbraw/zinc/47/74/07/1068477407.db2.gz LQPQOYDEZSCSQQ-LBPRGKRZSA-N -1 3 375.494 3.504 20 0 GHADHM COC(=O)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCCC1 ZINC001469946914 1068484669 /nfs/dbraw/zinc/48/46/69/1068484669.db2.gz RXNHKYWGEYMSEU-UHFFFAOYSA-N -1 3 381.472 3.931 20 0 GHADHM O=C([N-]C[C@H]1CCCN1CC(F)F)C(F)(F)c1cc(Cl)ccc1Cl ZINC001470151419 1068598168 /nfs/dbraw/zinc/59/81/68/1068598168.db2.gz VDBOMZCROWNYAM-SNVBAGLBSA-N -1 3 387.204 3.931 20 0 GHADHM O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001470157103 1068602767 /nfs/dbraw/zinc/60/27/67/1068602767.db2.gz UYXXRVZWROTWQF-UHFFFAOYSA-N -1 3 388.399 3.637 20 0 GHADHM O=C(Nc1ccc(Br)c(C2CC2)n1)c1c[n-]c2ccccc2c1=O ZINC001460547157 1068992285 /nfs/dbraw/zinc/99/22/85/1068992285.db2.gz QZAJFHAEYMNGLY-UHFFFAOYSA-N -1 3 384.233 3.815 20 0 GHADHM COc1cncnc1[N-]C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001460623441 1069037679 /nfs/dbraw/zinc/03/76/79/1069037679.db2.gz WREFFPVSGJEBSR-UHFFFAOYSA-N -1 3 395.202 3.611 20 0 GHADHM CCc1nc(C(=O)[N-]c2c(F)cc(I)cc2F)c(C)o1 ZINC001460901010 1069262887 /nfs/dbraw/zinc/26/28/87/1069262887.db2.gz XYGXRIULXHYZLX-UHFFFAOYSA-N -1 3 392.143 3.681 20 0 GHADHM CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001470500543 1072595272 /nfs/dbraw/zinc/59/52/72/1072595272.db2.gz ZIVNBENPWZKPCT-BLVKFPJESA-N -1 3 380.872 3.565 20 0 GHADHM O=C([N-]c1nnc(-c2c(Cl)cccc2Cl)s1)c1ccn2nccc2n1 ZINC001470943628 1072836232 /nfs/dbraw/zinc/83/62/32/1072836232.db2.gz QGLWISUTWNMINI-UHFFFAOYSA-N -1 3 391.243 3.807 20 0 GHADHM CC(C)(NC(=O)c1nnc2ccccc2c1[O-])c1nc2cc(Cl)ccc2o1 ZINC001471095082 1072920390 /nfs/dbraw/zinc/92/03/90/1072920390.db2.gz KSRGHLBJPAKQDB-UHFFFAOYSA-N -1 3 382.807 3.795 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccc(F)c(C(F)F)c3)c([O-])c2c(OC)c1 ZINC001471281369 1072996299 /nfs/dbraw/zinc/99/62/99/1072996299.db2.gz WDUHPIHLWIIKIU-UHFFFAOYSA-N -1 3 392.333 3.874 20 0 GHADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1C(=O)c1ccccc1 ZINC001471306122 1073008627 /nfs/dbraw/zinc/00/86/27/1073008627.db2.gz JFAGMFIZJSGTID-UHFFFAOYSA-N -1 3 375.380 3.913 20 0 GHADHM O=C(NCc1ccc2ccc(Br)cc2c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001471597201 1073152677 /nfs/dbraw/zinc/15/26/77/1073152677.db2.gz GLFKROWEIHPRHP-UHFFFAOYSA-N -1 3 398.260 3.905 20 0 GHADHM CCC(C)(C)[C@H](C)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001478963746 1079041970 /nfs/dbraw/zinc/04/19/70/1079041970.db2.gz ZPQIAXPSKUASMQ-GXTWGEPZSA-N -1 3 385.430 3.631 20 0 GHADHM CC(C)(C)c1ccc(CCCCC(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001471665199 1073173305 /nfs/dbraw/zinc/17/33/05/1073173305.db2.gz PHBBKONPASKHJD-UHFFFAOYSA-N -1 3 383.540 3.691 20 0 GHADHM CC(C)(C)c1ccc(CCCCC(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001471665199 1073173307 /nfs/dbraw/zinc/17/33/07/1073173307.db2.gz PHBBKONPASKHJD-UHFFFAOYSA-N -1 3 383.540 3.691 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc2cc(Br)ccc2c1 ZINC001471810738 1073224467 /nfs/dbraw/zinc/22/44/67/1073224467.db2.gz ASPTXWGFVPNYPP-UHFFFAOYSA-N -1 3 398.260 3.905 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CCc3ccc(C(C)(C)C)cc3)C2)n1 ZINC001471853923 1073234279 /nfs/dbraw/zinc/23/42/79/1073234279.db2.gz BWBANZRWNVFVCZ-LJQANCHMSA-N -1 3 396.535 3.506 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c1 ZINC001471944128 1073274490 /nfs/dbraw/zinc/27/44/90/1073274490.db2.gz VDBHMEYSYFRKBI-HNNXBMFYSA-N -1 3 390.281 3.875 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Br)c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001472111267 1073337730 /nfs/dbraw/zinc/33/77/30/1073337730.db2.gz OZLPMCFDHJCBQP-RXMQYKEDSA-N -1 3 397.582 3.730 20 0 GHADHM COC(=O)c1cc(NC(=O)CCCc2ccccc2Cl)c([O-])c(OC)c1 ZINC001472228445 1073375883 /nfs/dbraw/zinc/37/58/83/1073375883.db2.gz OEWHPBMNEPVMNJ-UHFFFAOYSA-N -1 3 377.824 3.802 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001472228154 1073376104 /nfs/dbraw/zinc/37/61/04/1073376104.db2.gz GZEAMJQZOTXVQD-JTQLQIEISA-N -1 3 395.864 3.960 20 0 GHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCO1 ZINC001472241273 1073380084 /nfs/dbraw/zinc/38/00/84/1073380084.db2.gz NLOGIDHSYYXCPP-AEFFLSMTSA-N -1 3 385.464 3.547 20 0 GHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCO1 ZINC001472241273 1073380085 /nfs/dbraw/zinc/38/00/85/1073380085.db2.gz NLOGIDHSYYXCPP-AEFFLSMTSA-N -1 3 385.464 3.547 20 0 GHADHM O=C(Cc1c(Cl)cccc1Br)[N-]OCCOc1ccccc1 ZINC001472341991 1073435079 /nfs/dbraw/zinc/43/50/79/1073435079.db2.gz PVICHZLMIJZMCU-UHFFFAOYSA-N -1 3 384.657 3.772 20 0 GHADHM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001472412580 1073474160 /nfs/dbraw/zinc/47/41/60/1073474160.db2.gz IJSQKSUTZZVOHU-GXTWGEPZSA-N -1 3 389.293 3.847 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)c([O-])c1 ZINC001472488158 1073507722 /nfs/dbraw/zinc/50/77/22/1073507722.db2.gz GSGREMKUQSPQCH-UHFFFAOYSA-N -1 3 383.492 3.886 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3C(=O)OC(C)(C)C)n[n-]2)o1 ZINC001472526799 1073531206 /nfs/dbraw/zinc/53/12/06/1073531206.db2.gz VDIBDDDUKBVIEZ-UHFFFAOYSA-N -1 3 382.420 3.510 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])n1)CCC3 ZINC001472817439 1073679120 /nfs/dbraw/zinc/67/91/20/1073679120.db2.gz CSBVTKULECUYHM-WDEREUQCSA-N -1 3 397.504 3.664 20 0 GHADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1nccs1 ZINC001472921221 1073726188 /nfs/dbraw/zinc/72/61/88/1073726188.db2.gz CAFZOGNPTXCJMS-MRVPVSSYSA-N -1 3 381.483 3.997 20 0 GHADHM O=c1nc(CN[C@@H](CO)c2cccc(F)c2)[n-]c2scc(-c3ccco3)c21 ZINC001473301029 1073911887 /nfs/dbraw/zinc/91/18/87/1073911887.db2.gz XFSQFWQGQVAPDG-AWEZNQCLSA-N -1 3 385.420 3.619 20 0 GHADHM COc1cccc2c(CN3CCN(C(=O)c4ccccc4[O-])CC3)cccc12 ZINC001474383046 1074376477 /nfs/dbraw/zinc/37/64/77/1074376477.db2.gz KJDROLVNXXJJBQ-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC001474381398 1074377095 /nfs/dbraw/zinc/37/70/95/1074377095.db2.gz YITSQEWMKBJAAJ-ZDUSSCGKSA-N -1 3 384.904 3.886 20 0 GHADHM CN(C)C[C@H](NCc1ncc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001474475195 1074423696 /nfs/dbraw/zinc/42/36/96/1074423696.db2.gz WTCSHGXVTWYKNO-HNNXBMFYSA-N -1 3 384.705 3.596 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cnc(CC(C)C)s2)n[n-]1 ZINC001474606122 1074481431 /nfs/dbraw/zinc/48/14/31/1074481431.db2.gz FJYBYJLPHRWJFT-CQSZACIVSA-N -1 3 379.530 3.513 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cnc(CC(C)C)s2)[n-]1 ZINC001474606122 1074481435 /nfs/dbraw/zinc/48/14/35/1074481435.db2.gz FJYBYJLPHRWJFT-CQSZACIVSA-N -1 3 379.530 3.513 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cnc(CC(C)C)s2)n1 ZINC001474606122 1074481441 /nfs/dbraw/zinc/48/14/41/1074481441.db2.gz FJYBYJLPHRWJFT-CQSZACIVSA-N -1 3 379.530 3.513 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC001474906088 1074625567 /nfs/dbraw/zinc/62/55/67/1074625567.db2.gz SOMIDZOZJKGPEG-GHMZBOCLSA-N -1 3 394.306 3.701 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2scnc21)c1ncc(-c2ccccc2)o1 ZINC001474993210 1074672832 /nfs/dbraw/zinc/67/28/32/1074672832.db2.gz GKIYDWYSDLEMGY-GFCCVEGCSA-N -1 3 385.470 3.991 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@@H](O)c1ccccc1F ZINC001475027327 1074693439 /nfs/dbraw/zinc/69/34/39/1074693439.db2.gz JXWHJWYHNFANGW-JSGCOSHPSA-N -1 3 377.890 3.640 20 0 GHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC001475037151 1074701618 /nfs/dbraw/zinc/70/16/18/1074701618.db2.gz UUVBFADKUKWIFN-LBPRGKRZSA-N -1 3 393.436 3.635 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1c(C)noc1C ZINC001475113878 1074742308 /nfs/dbraw/zinc/74/23/08/1074742308.db2.gz XESYWWGEYONEMY-LLVKDONJSA-N -1 3 385.898 3.984 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC)c2ccc(C)c(F)c2)c1 ZINC001475144057 1074755907 /nfs/dbraw/zinc/75/59/07/1074755907.db2.gz UMHYKJDOYLZCBU-QGZVFWFLSA-N -1 3 397.443 3.880 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccn1 ZINC001475162921 1074764424 /nfs/dbraw/zinc/76/44/24/1074764424.db2.gz WRXLZUPCGABEKI-INIZCTEOSA-N -1 3 394.905 3.873 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)s1 ZINC001475181624 1074773643 /nfs/dbraw/zinc/77/36/43/1074773643.db2.gz WYCKFFSWFCOQST-LLVKDONJSA-N -1 3 379.532 3.657 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)sc1Br ZINC001475224792 1074794627 /nfs/dbraw/zinc/79/46/27/1074794627.db2.gz WPWZMLNJHOHBSP-RYUDHWBXSA-N -1 3 396.372 3.691 20 0 GHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)[C@@H]1C ZINC001475250892 1074805183 /nfs/dbraw/zinc/80/51/83/1074805183.db2.gz BQTCOLNCOGYWGH-IJLUTSLNSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c(-c2ccccc2)s1 ZINC001475290215 1074824109 /nfs/dbraw/zinc/82/41/09/1074824109.db2.gz SMSCNRJWNMOURG-UHFFFAOYSA-N -1 3 398.513 3.516 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2c(Cl)cccc2Cl)c(F)cc1F ZINC001475339810 1074840081 /nfs/dbraw/zinc/84/00/81/1074840081.db2.gz HLBQSXXZBSCHHZ-ZDUSSCGKSA-N -1 3 396.242 3.592 20 0 GHADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001475346185 1074842337 /nfs/dbraw/zinc/84/23/37/1074842337.db2.gz FDIZCCIPAADCAL-NEPJUHHUSA-N -1 3 393.958 3.991 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)C(C)C ZINC001475370593 1074852490 /nfs/dbraw/zinc/85/24/90/1074852490.db2.gz AWFXWAQBKVPNKI-JSGCOSHPSA-N -1 3 396.734 3.824 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1C1CC1)c1ccc(Br)cc1F ZINC001475390503 1074858261 /nfs/dbraw/zinc/85/82/61/1074858261.db2.gz UXZAHHIZIGOTOS-WCQYABFASA-N -1 3 376.291 3.693 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)c2ccco2)cc1 ZINC001475397795 1074860340 /nfs/dbraw/zinc/86/03/40/1074860340.db2.gz BFNPRYNVQDETPP-SFHVURJKSA-N -1 3 379.384 3.634 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C1CCCCCC1 ZINC001475442155 1074876632 /nfs/dbraw/zinc/87/66/32/1074876632.db2.gz ZRWWNTDNCGUDHK-KRWDZBQOSA-N -1 3 387.929 3.662 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc2c(s1)CCC2 ZINC001475671378 1074997479 /nfs/dbraw/zinc/99/74/79/1074997479.db2.gz XJGUSUGMENDRGZ-UHFFFAOYSA-N -1 3 377.318 3.558 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1ccc2ncccc2c1 ZINC001475673086 1074997949 /nfs/dbraw/zinc/99/79/49/1074997949.db2.gz HYSWVGPDJCTURI-UHFFFAOYSA-N -1 3 384.432 3.950 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c(F)cc1Br ZINC001475741577 1075012759 /nfs/dbraw/zinc/01/27/59/1075012759.db2.gz DOBBVJGMOWIDLC-FGWVZKOKSA-N -1 3 394.331 3.602 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)C2CCC2)cc1 ZINC001475749516 1075013545 /nfs/dbraw/zinc/01/35/45/1075013545.db2.gz PANSKDGWZPLSQR-MRXNPFEDSA-N -1 3 384.860 3.702 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001475771804 1075018537 /nfs/dbraw/zinc/01/85/37/1075018537.db2.gz FKDAQFQTSNEISU-UBHAPETDSA-N -1 3 394.718 3.578 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC000737523918 598827888 /nfs/dbraw/zinc/82/78/88/598827888.db2.gz LOMCRCMQFIZDEL-UHFFFAOYSA-N -1 3 385.353 3.501 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC000737523918 598827890 /nfs/dbraw/zinc/82/78/90/598827890.db2.gz LOMCRCMQFIZDEL-UHFFFAOYSA-N -1 3 385.353 3.501 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc(F)cc1 ZINC000738112218 598834760 /nfs/dbraw/zinc/83/47/60/598834760.db2.gz NCGJEFFVAGAXSX-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cc(Cl)c[nH]1 ZINC000738110431 598847523 /nfs/dbraw/zinc/84/75/23/598847523.db2.gz BMWVHPZNWUCHRE-UHFFFAOYSA-N -1 3 384.852 3.507 20 0 GHADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000738443005 598870478 /nfs/dbraw/zinc/87/04/78/598870478.db2.gz UBBDJBAKJJLYGW-FQEVSTJZSA-N -1 3 390.491 3.647 20 0 GHADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000738443005 598870479 /nfs/dbraw/zinc/87/04/79/598870479.db2.gz UBBDJBAKJJLYGW-FQEVSTJZSA-N -1 3 390.491 3.647 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1Br ZINC000736821225 598871707 /nfs/dbraw/zinc/87/17/07/598871707.db2.gz ADMBWLDWXXITRX-UHFFFAOYSA-N -1 3 392.688 3.915 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1Br ZINC000736821225 598871708 /nfs/dbraw/zinc/87/17/08/598871708.db2.gz ADMBWLDWXXITRX-UHFFFAOYSA-N -1 3 392.688 3.915 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898709 598880622 /nfs/dbraw/zinc/88/06/22/598880622.db2.gz RJZIVDZBQNBLAU-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898709 598880625 /nfs/dbraw/zinc/88/06/25/598880625.db2.gz RJZIVDZBQNBLAU-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1csc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897509 598884549 /nfs/dbraw/zinc/88/45/49/598884549.db2.gz QXQKNOHLUCAGTO-SGTLLEGYSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1csc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897509 598884551 /nfs/dbraw/zinc/88/45/51/598884551.db2.gz QXQKNOHLUCAGTO-SGTLLEGYSA-N -1 3 393.472 3.646 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1csc2ccccc12 ZINC000736041241 598884890 /nfs/dbraw/zinc/88/48/90/598884890.db2.gz UZFWAPOVOIJJGB-CYBMUJFWSA-N -1 3 394.456 3.635 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1csc2ccccc12 ZINC000736041241 598884891 /nfs/dbraw/zinc/88/48/91/598884891.db2.gz UZFWAPOVOIJJGB-CYBMUJFWSA-N -1 3 394.456 3.635 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000736038308 598887669 /nfs/dbraw/zinc/88/76/69/598887669.db2.gz UCFZNZPRCAHHKG-KWCYVHTRSA-N -1 3 398.385 3.546 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000736038308 598887670 /nfs/dbraw/zinc/88/76/70/598887670.db2.gz UCFZNZPRCAHHKG-KWCYVHTRSA-N -1 3 398.385 3.546 20 0 GHADHM Cc1csc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000737453606 598889015 /nfs/dbraw/zinc/88/90/15/598889015.db2.gz XOABTKJBVKQWGB-UHFFFAOYSA-N -1 3 397.489 3.682 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735750169 598889667 /nfs/dbraw/zinc/88/96/67/598889667.db2.gz QDSJOBIPDUZOKN-INIZCTEOSA-N -1 3 396.520 3.925 20 0 GHADHM CC[C@H](C)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736321316 598890105 /nfs/dbraw/zinc/89/01/05/598890105.db2.gz AZLHCQXWVLPMJI-ZDUSSCGKSA-N -1 3 384.509 3.783 20 0 GHADHM C[C@H]1CCCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736266205 598890187 /nfs/dbraw/zinc/89/01/87/598890187.db2.gz GYFFUSAQFLPYJL-ZDUSSCGKSA-N -1 3 382.493 3.679 20 0 GHADHM Cc1cc(C)n(CCSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000737256332 598902138 /nfs/dbraw/zinc/90/21/38/598902138.db2.gz JUWAWANPCUKYAC-UHFFFAOYSA-N -1 3 377.477 3.534 20 0 GHADHM Cc1cc(C)n(CCSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000737256332 598902140 /nfs/dbraw/zinc/90/21/40/598902140.db2.gz JUWAWANPCUKYAC-UHFFFAOYSA-N -1 3 377.477 3.534 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000736740584 598902170 /nfs/dbraw/zinc/90/21/70/598902170.db2.gz BRVBDXCRLLNDKG-HNNXBMFYSA-N -1 3 398.923 3.706 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000736740584 598902172 /nfs/dbraw/zinc/90/21/72/598902172.db2.gz BRVBDXCRLLNDKG-HNNXBMFYSA-N -1 3 398.923 3.706 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736350362 598903318 /nfs/dbraw/zinc/90/33/18/598903318.db2.gz MHOCYDMFNDHPOH-MRXNPFEDSA-N -1 3 387.553 3.823 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736350362 598903320 /nfs/dbraw/zinc/90/33/20/598903320.db2.gz MHOCYDMFNDHPOH-MRXNPFEDSA-N -1 3 387.553 3.823 20 0 GHADHM CCOc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1OC ZINC000736627399 598914259 /nfs/dbraw/zinc/91/42/59/598914259.db2.gz ZLAPNCHCPKEDDD-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM CCOc1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1OC ZINC000736627399 598914260 /nfs/dbraw/zinc/91/42/60/598914260.db2.gz ZLAPNCHCPKEDDD-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000735819584 598925876 /nfs/dbraw/zinc/92/58/76/598925876.db2.gz YKHKAJXNURYFCZ-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000735819584 598925878 /nfs/dbraw/zinc/92/58/78/598925878.db2.gz YKHKAJXNURYFCZ-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736125479 598925882 /nfs/dbraw/zinc/92/58/82/598925882.db2.gz KFHKXBRHPHKBJA-SNVBAGLBSA-N -1 3 381.490 3.524 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736125479 598925884 /nfs/dbraw/zinc/92/58/84/598925884.db2.gz KFHKXBRHPHKBJA-SNVBAGLBSA-N -1 3 381.490 3.524 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736269172 598927745 /nfs/dbraw/zinc/92/77/45/598927745.db2.gz ZNCVJUYSFNENQA-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736269172 598927746 /nfs/dbraw/zinc/92/77/46/598927746.db2.gz ZNCVJUYSFNENQA-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM CO[C@@H](C)CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736961829 598944036 /nfs/dbraw/zinc/94/40/36/598944036.db2.gz MUNMEOGZOHTKMY-HNNXBMFYSA-N -1 3 395.463 3.545 20 0 GHADHM CO[C@@H](C)CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736961829 598944037 /nfs/dbraw/zinc/94/40/37/598944037.db2.gz MUNMEOGZOHTKMY-HNNXBMFYSA-N -1 3 395.463 3.545 20 0 GHADHM CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736451061 598959646 /nfs/dbraw/zinc/95/96/46/598959646.db2.gz GIFOWFDIWGYHFS-LJQANCHMSA-N -1 3 399.520 3.809 20 0 GHADHM CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736451061 598959647 /nfs/dbraw/zinc/95/96/47/598959647.db2.gz GIFOWFDIWGYHFS-LJQANCHMSA-N -1 3 399.520 3.809 20 0 GHADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCCCCC1 ZINC000738267662 598981380 /nfs/dbraw/zinc/98/13/80/598981380.db2.gz LITDYIIFXXKKLK-UHFFFAOYSA-N -1 3 391.475 3.852 20 0 GHADHM O=C(CCC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737823987 599003881 /nfs/dbraw/zinc/00/38/81/599003881.db2.gz MSPKOUJMMGGZAK-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(CCC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737823987 599003883 /nfs/dbraw/zinc/00/38/83/599003883.db2.gz MSPKOUJMMGGZAK-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1Cc2ccccc2C1 ZINC000738266563 599005519 /nfs/dbraw/zinc/00/55/19/599005519.db2.gz HICWBGDSASQXHW-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1Cc2ccccc2C1 ZINC000738266563 599005521 /nfs/dbraw/zinc/00/55/21/599005521.db2.gz HICWBGDSASQXHW-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736232432 599008735 /nfs/dbraw/zinc/00/87/35/599008735.db2.gz DFVCULOOSFOKDP-BEFAXECRSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736232432 599008737 /nfs/dbraw/zinc/00/87/37/599008737.db2.gz DFVCULOOSFOKDP-BEFAXECRSA-N -1 3 393.516 3.505 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000736625548 599015444 /nfs/dbraw/zinc/01/54/44/599015444.db2.gz BLSYMFSXZJSOFU-ZDUSSCGKSA-N -1 3 398.850 3.944 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000736625548 599015446 /nfs/dbraw/zinc/01/54/46/599015446.db2.gz BLSYMFSXZJSOFU-ZDUSSCGKSA-N -1 3 398.850 3.944 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737389498 599033374 /nfs/dbraw/zinc/03/33/74/599033374.db2.gz PAKMIMYQBLDIJF-LBPRGKRZSA-N -1 3 386.912 3.919 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737389498 599033376 /nfs/dbraw/zinc/03/33/76/599033376.db2.gz PAKMIMYQBLDIJF-LBPRGKRZSA-N -1 3 386.912 3.919 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2CCc2ccccc2)n1 ZINC000737632190 599047715 /nfs/dbraw/zinc/04/77/15/599047715.db2.gz KYBIFCRVPVJFNC-AWEZNQCLSA-N -1 3 388.397 3.882 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2CCc2ccccc2)n1 ZINC000737632190 599047718 /nfs/dbraw/zinc/04/77/18/599047718.db2.gz KYBIFCRVPVJFNC-AWEZNQCLSA-N -1 3 388.397 3.882 20 0 GHADHM Cc1nc2c(s1)[C@H](N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCC2 ZINC000737486511 599057688 /nfs/dbraw/zinc/05/76/88/599057688.db2.gz BXVLJUYIJVNEHM-LLVKDONJSA-N -1 3 395.414 3.559 20 0 GHADHM Cc1nc2c(s1)[C@H](N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCC2 ZINC000737486511 599057691 /nfs/dbraw/zinc/05/76/91/599057691.db2.gz BXVLJUYIJVNEHM-LLVKDONJSA-N -1 3 395.414 3.559 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817509 599070130 /nfs/dbraw/zinc/07/01/30/599070130.db2.gz AVJCCZPFAUHQSV-IRXDYDNUSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817509 599070132 /nfs/dbraw/zinc/07/01/32/599070132.db2.gz AVJCCZPFAUHQSV-IRXDYDNUSA-N -1 3 397.429 3.938 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000822761891 599070696 /nfs/dbraw/zinc/07/06/96/599070696.db2.gz VLCICCCCWHKTQH-UHFFFAOYSA-N -1 3 381.440 3.501 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000822761891 599070698 /nfs/dbraw/zinc/07/06/98/599070698.db2.gz VLCICCCCWHKTQH-UHFFFAOYSA-N -1 3 381.440 3.501 20 0 GHADHM CC(C)C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735787474 599079106 /nfs/dbraw/zinc/07/91/06/599079106.db2.gz KLCPBBHISLSARV-SFHVURJKSA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735787474 599079109 /nfs/dbraw/zinc/07/91/09/599079109.db2.gz KLCPBBHISLSARV-SFHVURJKSA-N -1 3 383.883 3.966 20 0 GHADHM O=c1ccn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccsc21 ZINC000738381351 599109141 /nfs/dbraw/zinc/10/91/41/599109141.db2.gz ZOICWVYTLHIHNL-UHFFFAOYSA-N -1 3 385.452 3.958 20 0 GHADHM O=c1ccn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccsc21 ZINC000738381351 599109143 /nfs/dbraw/zinc/10/91/43/599109143.db2.gz ZOICWVYTLHIHNL-UHFFFAOYSA-N -1 3 385.452 3.958 20 0 GHADHM CC[C@@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C)cs1 ZINC000736312323 599116666 /nfs/dbraw/zinc/11/66/66/599116666.db2.gz BHVMYOGJMXBFOC-MRXNPFEDSA-N -1 3 391.888 3.732 20 0 GHADHM CC[C@@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C)cs1 ZINC000736312323 599116669 /nfs/dbraw/zinc/11/66/69/599116669.db2.gz BHVMYOGJMXBFOC-MRXNPFEDSA-N -1 3 391.888 3.732 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000737409495 599125042 /nfs/dbraw/zinc/12/50/42/599125042.db2.gz ORQJDWZWKCIESH-KXBFYZLASA-N -1 3 386.459 3.690 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000737409495 599125043 /nfs/dbraw/zinc/12/50/43/599125043.db2.gz ORQJDWZWKCIESH-KXBFYZLASA-N -1 3 386.459 3.690 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000822419381 599138584 /nfs/dbraw/zinc/13/85/84/599138584.db2.gz QLCDZCSWDDJIBI-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000822419381 599138587 /nfs/dbraw/zinc/13/85/87/599138587.db2.gz QLCDZCSWDDJIBI-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000821104593 599140946 /nfs/dbraw/zinc/14/09/46/599140946.db2.gz JMPRLNDBQMRPGC-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000821104593 599140949 /nfs/dbraw/zinc/14/09/49/599140949.db2.gz JMPRLNDBQMRPGC-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)(C)C ZINC000819763735 599140980 /nfs/dbraw/zinc/14/09/80/599140980.db2.gz BOQPWGAAVKGXPC-RAXLEYEMSA-N -1 3 378.436 3.985 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)(C)C ZINC000819763735 599140983 /nfs/dbraw/zinc/14/09/83/599140983.db2.gz BOQPWGAAVKGXPC-RAXLEYEMSA-N -1 3 378.436 3.985 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000822203273 599142006 /nfs/dbraw/zinc/14/20/06/599142006.db2.gz LYUWWRPWNHFNCK-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148287 599143589 /nfs/dbraw/zinc/14/35/89/599143589.db2.gz NQZDNDCKZNQYBM-IFXJQAMLSA-N -1 3 393.516 3.807 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148287 599143592 /nfs/dbraw/zinc/14/35/92/599143592.db2.gz NQZDNDCKZNQYBM-IFXJQAMLSA-N -1 3 393.516 3.807 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736236373 599144978 /nfs/dbraw/zinc/14/49/78/599144978.db2.gz RUFVNIROKSNUKU-TZMCWYRMSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736236373 599144979 /nfs/dbraw/zinc/14/49/79/599144979.db2.gz RUFVNIROKSNUKU-TZMCWYRMSA-N -1 3 382.855 3.930 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000736637514 599145081 /nfs/dbraw/zinc/14/50/81/599145081.db2.gz QVPBLMWFYNLUPL-WMLDXEAASA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000736637514 599145083 /nfs/dbraw/zinc/14/50/83/599145083.db2.gz QVPBLMWFYNLUPL-WMLDXEAASA-N -1 3 392.463 3.675 20 0 GHADHM CCCOC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821128289 599154752 /nfs/dbraw/zinc/15/47/52/599154752.db2.gz SPBPMUOTBLAWDZ-OAHLLOKOSA-N -1 3 395.463 3.508 20 0 GHADHM CCCOC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821128289 599154754 /nfs/dbraw/zinc/15/47/54/599154754.db2.gz SPBPMUOTBLAWDZ-OAHLLOKOSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737364123 599156933 /nfs/dbraw/zinc/15/69/33/599156933.db2.gz ICTWQMMFNNUKFT-LBPRGKRZSA-N -1 3 388.374 3.623 20 0 GHADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737364123 599156934 /nfs/dbraw/zinc/15/69/34/599156934.db2.gz ICTWQMMFNNUKFT-LBPRGKRZSA-N -1 3 388.374 3.623 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H](C)c1ccccc1C ZINC000737025777 599160583 /nfs/dbraw/zinc/16/05/83/599160583.db2.gz MWYQJZMHHWQDQD-LBPRGKRZSA-N -1 3 386.839 3.936 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H](C)c1ccccc1C ZINC000737025777 599160585 /nfs/dbraw/zinc/16/05/85/599160585.db2.gz MWYQJZMHHWQDQD-LBPRGKRZSA-N -1 3 386.839 3.936 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000736678700 599160692 /nfs/dbraw/zinc/16/06/92/599160692.db2.gz FQSYCSDIZYHQFP-NXEZZACHSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000736678700 599160693 /nfs/dbraw/zinc/16/06/93/599160693.db2.gz FQSYCSDIZYHQFP-NXEZZACHSA-N -1 3 375.404 3.511 20 0 GHADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737925025 599162997 /nfs/dbraw/zinc/16/29/97/599162997.db2.gz MIWGDAQWPAAMJX-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737925025 599163000 /nfs/dbraw/zinc/16/30/00/599163000.db2.gz MIWGDAQWPAAMJX-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736351884 599166524 /nfs/dbraw/zinc/16/65/24/599166524.db2.gz IHKAMRCPOHUGBR-QJWNTBNXSA-N -1 3 381.867 3.671 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736351884 599166527 /nfs/dbraw/zinc/16/65/27/599166527.db2.gz IHKAMRCPOHUGBR-QJWNTBNXSA-N -1 3 381.867 3.671 20 0 GHADHM c1ccc2c(c1)nccc2SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738404639 599168732 /nfs/dbraw/zinc/16/87/32/599168732.db2.gz HVFICPZUKUNXCK-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1ccc2c(c1)nccc2SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738404639 599168733 /nfs/dbraw/zinc/16/87/33/599168733.db2.gz HVFICPZUKUNXCK-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000738406282 599176335 /nfs/dbraw/zinc/17/63/35/599176335.db2.gz BUPRNGBLISXVNV-SDDRHHMPSA-N -1 3 376.917 3.775 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000738406282 599176338 /nfs/dbraw/zinc/17/63/38/599176338.db2.gz BUPRNGBLISXVNV-SDDRHHMPSA-N -1 3 376.917 3.775 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732037 599184818 /nfs/dbraw/zinc/18/48/18/599184818.db2.gz LJKWOLMUXBSZPO-JKSUJKDBSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732037 599184819 /nfs/dbraw/zinc/18/48/19/599184819.db2.gz LJKWOLMUXBSZPO-JKSUJKDBSA-N -1 3 388.258 3.940 20 0 GHADHM O=C(NCC(F)(F)F)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738038670 599196631 /nfs/dbraw/zinc/19/66/31/599196631.db2.gz MCCMEASPGUCYCD-UHFFFAOYSA-N -1 3 397.744 3.605 20 0 GHADHM O=C(NCC1CCC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738044531 599196649 /nfs/dbraw/zinc/19/66/49/599196649.db2.gz LAAPLCAAXZEOFR-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM CCC(CC)(CNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820887364 599201073 /nfs/dbraw/zinc/20/10/73/599201073.db2.gz ASOTVBSHHBKDHE-MRXNPFEDSA-N -1 3 393.491 3.508 20 0 GHADHM CCC(CC)(CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820887364 599201075 /nfs/dbraw/zinc/20/10/75/599201075.db2.gz ASOTVBSHHBKDHE-MRXNPFEDSA-N -1 3 393.491 3.508 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000820543039 599201116 /nfs/dbraw/zinc/20/11/16/599201116.db2.gz SXPNBECFCFVDEM-MRXNPFEDSA-N -1 3 383.496 3.597 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000820543039 599201119 /nfs/dbraw/zinc/20/11/19/599201119.db2.gz SXPNBECFCFVDEM-MRXNPFEDSA-N -1 3 383.496 3.597 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299328 599202577 /nfs/dbraw/zinc/20/25/77/599202577.db2.gz FUXXOKQNLRLDBF-HXUWFJFHSA-N -1 3 391.475 3.616 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299328 599202579 /nfs/dbraw/zinc/20/25/79/599202579.db2.gz FUXXOKQNLRLDBF-HXUWFJFHSA-N -1 3 391.475 3.616 20 0 GHADHM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821153435 599211337 /nfs/dbraw/zinc/21/13/37/599211337.db2.gz CDPFYLPMOSRCCY-FQEVSTJZSA-N -1 3 395.482 3.664 20 0 GHADHM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821153435 599211339 /nfs/dbraw/zinc/21/13/39/599211339.db2.gz CDPFYLPMOSRCCY-FQEVSTJZSA-N -1 3 395.482 3.664 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328077 599218341 /nfs/dbraw/zinc/21/83/41/599218341.db2.gz VBIICURZBFOHCS-HOTGVXAUSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328077 599218342 /nfs/dbraw/zinc/21/83/42/599218342.db2.gz VBIICURZBFOHCS-HOTGVXAUSA-N -1 3 378.480 3.938 20 0 GHADHM COC[C@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736970893 599221062 /nfs/dbraw/zinc/22/10/62/599221062.db2.gz RMGQYJUVNHJJRS-NSHDSACASA-N -1 3 388.811 3.504 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000737931145 599225143 /nfs/dbraw/zinc/22/51/43/599225143.db2.gz FQLQTWYLVOYUIG-IBGZPJMESA-N -1 3 393.516 3.758 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000737931145 599225145 /nfs/dbraw/zinc/22/51/45/599225145.db2.gz FQLQTWYLVOYUIG-IBGZPJMESA-N -1 3 393.516 3.758 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735752177 599226247 /nfs/dbraw/zinc/22/62/47/599226247.db2.gz YHFLXMHLCDSOHV-GOSISDBHSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735752177 599226249 /nfs/dbraw/zinc/22/62/49/599226249.db2.gz YHFLXMHLCDSOHV-GOSISDBHSA-N -1 3 392.463 3.705 20 0 GHADHM CCc1ccc(Cl)c(CC)c1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821486771 607262957 /nfs/dbraw/zinc/26/29/57/607262957.db2.gz LDBSIBRCERMWII-UHFFFAOYSA-N -1 3 391.262 3.946 20 0 GHADHM CCc1ccc(Cl)c(CC)c1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821486771 607262958 /nfs/dbraw/zinc/26/29/58/607262958.db2.gz LDBSIBRCERMWII-UHFFFAOYSA-N -1 3 391.262 3.946 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356117 599226736 /nfs/dbraw/zinc/22/67/36/599226736.db2.gz JUGWYOJAMRKJON-CVEARBPZSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356117 599226739 /nfs/dbraw/zinc/22/67/39/599226739.db2.gz JUGWYOJAMRKJON-CVEARBPZSA-N -1 3 395.532 3.717 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380108 599234931 /nfs/dbraw/zinc/23/49/31/599234931.db2.gz LMBNYCAPGSWAGS-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380108 599234932 /nfs/dbraw/zinc/23/49/32/599234932.db2.gz LMBNYCAPGSWAGS-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM CC1(C)C[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820585858 607265912 /nfs/dbraw/zinc/26/59/12/607265912.db2.gz QRCOPDDHHUTUSR-SFHVURJKSA-N -1 3 393.516 3.639 20 0 GHADHM CC1(C)C[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820585858 607265913 /nfs/dbraw/zinc/26/59/13/607265913.db2.gz QRCOPDDHHUTUSR-SFHVURJKSA-N -1 3 393.516 3.639 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821825151 599239715 /nfs/dbraw/zinc/23/97/15/599239715.db2.gz SVZPZJPNRGOXKX-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821825151 599239717 /nfs/dbraw/zinc/23/97/17/599239717.db2.gz SVZPZJPNRGOXKX-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(-c4nnn[n-]4)c3C)o2)cc1 ZINC000822214203 607269275 /nfs/dbraw/zinc/26/92/75/607269275.db2.gz UGVAXFZYTRQGEM-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(-c4nn[n-]n4)c3C)o2)cc1 ZINC000822214203 607269276 /nfs/dbraw/zinc/26/92/76/607269276.db2.gz UGVAXFZYTRQGEM-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821127421 607269332 /nfs/dbraw/zinc/26/93/32/607269332.db2.gz HLEDUWFIAPHPFL-UHFFFAOYSA-N -1 3 393.447 3.566 20 0 GHADHM CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821127421 607269333 /nfs/dbraw/zinc/26/93/33/607269333.db2.gz HLEDUWFIAPHPFL-UHFFFAOYSA-N -1 3 393.447 3.566 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821222012 599245719 /nfs/dbraw/zinc/24/57/19/599245719.db2.gz NOAXCLIZDCLQIU-UHFFFAOYSA-N -1 3 399.458 3.983 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821222012 599245720 /nfs/dbraw/zinc/24/57/20/599245720.db2.gz NOAXCLIZDCLQIU-UHFFFAOYSA-N -1 3 399.458 3.983 20 0 GHADHM CCCOc1cccc(CC(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134214 607275044 /nfs/dbraw/zinc/27/50/44/607275044.db2.gz ONEACWLHISITLW-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM CCCOc1cccc(CC(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134214 607275045 /nfs/dbraw/zinc/27/50/45/607275045.db2.gz ONEACWLHISITLW-UHFFFAOYSA-N -1 3 393.491 3.637 20 0 GHADHM Cc1c(NC(=O)N[C@@H](c2nccs2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822089542 607283004 /nfs/dbraw/zinc/28/30/04/607283004.db2.gz DZQJHRRYYKCPCP-MRXNPFEDSA-N -1 3 391.460 3.543 20 0 GHADHM Cc1c(NC(=O)N[C@@H](c2nccs2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822089542 607283005 /nfs/dbraw/zinc/28/30/05/607283005.db2.gz DZQJHRRYYKCPCP-MRXNPFEDSA-N -1 3 391.460 3.543 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822090972 607281662 /nfs/dbraw/zinc/28/16/62/607281662.db2.gz MUHVZRCMVYJWJF-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822090972 607281663 /nfs/dbraw/zinc/28/16/63/607281663.db2.gz MUHVZRCMVYJWJF-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822084359 607288167 /nfs/dbraw/zinc/28/81/67/607288167.db2.gz KFNROTBAHXPEGV-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822084359 607288168 /nfs/dbraw/zinc/28/81/68/607288168.db2.gz KFNROTBAHXPEGV-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822089489 607283183 /nfs/dbraw/zinc/28/31/83/607283183.db2.gz CRIMIRBBFXWBMP-QGZVFWFLSA-N -1 3 390.451 3.570 20 0 GHADHM Cc1c(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822089489 607283184 /nfs/dbraw/zinc/28/31/84/607283184.db2.gz CRIMIRBBFXWBMP-QGZVFWFLSA-N -1 3 390.451 3.570 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821127364 599257355 /nfs/dbraw/zinc/25/73/55/599257355.db2.gz GJZAARQWBLLKMW-CQSZACIVSA-N -1 3 380.452 3.847 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821127364 599257358 /nfs/dbraw/zinc/25/73/58/599257358.db2.gz GJZAARQWBLLKMW-CQSZACIVSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822097033 607290398 /nfs/dbraw/zinc/29/03/98/607290398.db2.gz SIIZRUHTHOALGU-RYUDHWBXSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1c(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822097033 607290399 /nfs/dbraw/zinc/29/03/99/607290399.db2.gz SIIZRUHTHOALGU-RYUDHWBXSA-N -1 3 382.390 3.665 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C[C@@H]1C ZINC000820152477 599263636 /nfs/dbraw/zinc/26/36/36/599263636.db2.gz ZHOGKKFOQULEKR-AWEZNQCLSA-N -1 3 392.463 3.633 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C[C@@H]1C ZINC000820152477 599263638 /nfs/dbraw/zinc/26/36/38/599263638.db2.gz ZHOGKKFOQULEKR-AWEZNQCLSA-N -1 3 392.463 3.633 20 0 GHADHM Cc1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)no1 ZINC000737262925 599267443 /nfs/dbraw/zinc/26/74/43/599267443.db2.gz JEWVFAHFEOYHLF-MRXNPFEDSA-N -1 3 379.399 3.500 20 0 GHADHM Cc1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)no1 ZINC000737262925 599267444 /nfs/dbraw/zinc/26/74/44/599267444.db2.gz JEWVFAHFEOYHLF-MRXNPFEDSA-N -1 3 379.399 3.500 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)nc2ccccc21 ZINC000736488969 599275195 /nfs/dbraw/zinc/27/51/95/599275195.db2.gz WJFJBMYZABHNGD-UHFFFAOYSA-N -1 3 387.447 3.798 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000736488431 599277389 /nfs/dbraw/zinc/27/73/89/599277389.db2.gz PTQWCQQXPHSITF-UHFFFAOYSA-N -1 3 399.524 3.624 20 0 GHADHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823356513 607320874 /nfs/dbraw/zinc/32/08/74/607320874.db2.gz NQJBYKOIFINKQN-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823356513 607320875 /nfs/dbraw/zinc/32/08/75/607320875.db2.gz NQJBYKOIFINKQN-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N(CCc1ccccc1)Cc1ccncc1 ZINC000822564236 607329015 /nfs/dbraw/zinc/32/90/15/607329015.db2.gz WXXXGACGPXCZKI-UHFFFAOYSA-N -1 3 391.866 3.559 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N(CCc1ccccc1)Cc1ccncc1 ZINC000822564236 607329016 /nfs/dbraw/zinc/32/90/16/607329016.db2.gz WXXXGACGPXCZKI-UHFFFAOYSA-N -1 3 391.866 3.559 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000826420848 607845043 /nfs/dbraw/zinc/84/50/43/607845043.db2.gz FVDUAQNCJQMPIM-MRXNPFEDSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000826420848 607845044 /nfs/dbraw/zinc/84/50/44/607845044.db2.gz FVDUAQNCJQMPIM-MRXNPFEDSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccnc(Cl)c1 ZINC000738184339 598231130 /nfs/dbraw/zinc/23/11/30/598231130.db2.gz OYPXYACJLORZRU-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCc1ncc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000736707278 598231799 /nfs/dbraw/zinc/23/17/99/598231799.db2.gz XRUGZCUUXNJFLU-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000736707278 598231801 /nfs/dbraw/zinc/23/18/01/598231801.db2.gz XRUGZCUUXNJFLU-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735597634 598233452 /nfs/dbraw/zinc/23/34/52/598233452.db2.gz RCUZOEPECBJVTB-GOSISDBHSA-N -1 3 395.463 3.689 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(c4ccc(-c5nn[n-]n5)cc4F)CC3)c2c1 ZINC000737114256 598240505 /nfs/dbraw/zinc/24/05/05/598240505.db2.gz JEFFKXYWSCAMSQ-UHFFFAOYSA-N -1 3 392.438 3.880 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735636123 598247665 /nfs/dbraw/zinc/24/76/65/598247665.db2.gz POYQXCJVVKZGOE-UHFFFAOYSA-N -1 3 394.479 3.546 20 0 GHADHM COc1c(Cl)cc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737025073 598249803 /nfs/dbraw/zinc/24/98/03/598249803.db2.gz LACPJVCJJIYVQQ-UHFFFAOYSA-N -1 3 380.235 3.673 20 0 GHADHM O=C(CNc1cccc(-c2cccs2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737898883 598250777 /nfs/dbraw/zinc/25/07/77/598250777.db2.gz LVOZBVBPUOHTKK-UHFFFAOYSA-N -1 3 376.445 3.646 20 0 GHADHM O=C(CNc1cccc(-c2cccs2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737898883 598250779 /nfs/dbraw/zinc/25/07/79/598250779.db2.gz LVOZBVBPUOHTKK-UHFFFAOYSA-N -1 3 376.445 3.646 20 0 GHADHM O=C(Nc1ccccc1Cl)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738189224 598256527 /nfs/dbraw/zinc/25/65/27/598256527.db2.gz DBKACXWJQOUKRO-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccccc1Cl)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738189224 598256528 /nfs/dbraw/zinc/25/65/28/598256528.db2.gz DBKACXWJQOUKRO-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737410388 598264534 /nfs/dbraw/zinc/26/45/34/598264534.db2.gz SJTWAIOCIVJMBP-KRWDZBQOSA-N -1 3 392.463 3.771 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737410388 598264535 /nfs/dbraw/zinc/26/45/35/598264535.db2.gz SJTWAIOCIVJMBP-KRWDZBQOSA-N -1 3 392.463 3.771 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737411393 598273360 /nfs/dbraw/zinc/27/33/60/598273360.db2.gz XONHCESFVYUFTM-HXUWFJFHSA-N -1 3 390.491 3.783 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737411393 598273361 /nfs/dbraw/zinc/27/33/61/598273361.db2.gz XONHCESFVYUFTM-HXUWFJFHSA-N -1 3 390.491 3.783 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737110230 598275095 /nfs/dbraw/zinc/27/50/95/598275095.db2.gz UQJNKUGLEHHOOG-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736827412 598275407 /nfs/dbraw/zinc/27/54/07/598275407.db2.gz CMBONAIIWBUVQO-UHFFFAOYSA-N -1 3 387.875 3.741 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736827412 598275409 /nfs/dbraw/zinc/27/54/09/598275409.db2.gz CMBONAIIWBUVQO-UHFFFAOYSA-N -1 3 387.875 3.741 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736636075 598276224 /nfs/dbraw/zinc/27/62/24/598276224.db2.gz HFBDLPSMXBZTIT-ZDUSSCGKSA-N -1 3 397.483 3.705 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736636075 598276228 /nfs/dbraw/zinc/27/62/28/598276228.db2.gz HFBDLPSMXBZTIT-ZDUSSCGKSA-N -1 3 397.483 3.705 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000735660196 598277374 /nfs/dbraw/zinc/27/73/74/598277374.db2.gz JKCSUUOZOSGLDV-CQSZACIVSA-N -1 3 397.508 3.782 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000735660196 598277376 /nfs/dbraw/zinc/27/73/76/598277376.db2.gz JKCSUUOZOSGLDV-CQSZACIVSA-N -1 3 397.508 3.782 20 0 GHADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000736740833 598277674 /nfs/dbraw/zinc/27/76/74/598277674.db2.gz GSEIGYVNJPTXTR-UHFFFAOYSA-N -1 3 396.410 3.952 20 0 GHADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000736740833 598277676 /nfs/dbraw/zinc/27/76/76/598277676.db2.gz GSEIGYVNJPTXTR-UHFFFAOYSA-N -1 3 396.410 3.952 20 0 GHADHM Cc1sc(NC(=O)Cc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000737562783 598278388 /nfs/dbraw/zinc/27/83/88/598278388.db2.gz MSDDSTUDRBTHOU-UHFFFAOYSA-N -1 3 381.383 3.745 20 0 GHADHM Cc1sc(NC(=O)Cc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000737562783 598278389 /nfs/dbraw/zinc/27/83/89/598278389.db2.gz MSDDSTUDRBTHOU-UHFFFAOYSA-N -1 3 381.383 3.745 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737810284 598278464 /nfs/dbraw/zinc/27/84/64/598278464.db2.gz YSAZAPXOTBZGRP-VOTSOKGWSA-N -1 3 392.419 3.781 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737810284 598278465 /nfs/dbraw/zinc/27/84/65/598278465.db2.gz YSAZAPXOTBZGRP-VOTSOKGWSA-N -1 3 392.419 3.781 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736199861 598279474 /nfs/dbraw/zinc/27/94/74/598279474.db2.gz BHUYFGHJMCFHOT-LBPRGKRZSA-N -1 3 385.447 3.787 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736199861 598279475 /nfs/dbraw/zinc/27/94/75/598279475.db2.gz BHUYFGHJMCFHOT-LBPRGKRZSA-N -1 3 385.447 3.787 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736259589 598282770 /nfs/dbraw/zinc/28/27/70/598282770.db2.gz FMGYVHRLTURJJN-BBRMVZONSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736259589 598282772 /nfs/dbraw/zinc/28/27/72/598282772.db2.gz FMGYVHRLTURJJN-BBRMVZONSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113402 598283393 /nfs/dbraw/zinc/28/33/93/598283393.db2.gz NEEAXNVHTFALMM-AUUYWEPGSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113402 598283394 /nfs/dbraw/zinc/28/33/94/598283394.db2.gz NEEAXNVHTFALMM-AUUYWEPGSA-N -1 3 376.464 3.695 20 0 GHADHM S=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400307 598319524 /nfs/dbraw/zinc/31/95/24/598319524.db2.gz DGHIVWIOIIYOTP-CYBMUJFWSA-N -1 3 398.923 3.927 20 0 GHADHM S=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400307 598319526 /nfs/dbraw/zinc/31/95/26/598319526.db2.gz DGHIVWIOIIYOTP-CYBMUJFWSA-N -1 3 398.923 3.927 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1-c1ccccc1 ZINC000738100187 598322828 /nfs/dbraw/zinc/32/28/28/598322828.db2.gz LRHIHHLPARDAOI-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1-c1ccccc1 ZINC000738100187 598322830 /nfs/dbraw/zinc/32/28/30/598322830.db2.gz LRHIHHLPARDAOI-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM CCCC[C@H](CC)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736437142 598323911 /nfs/dbraw/zinc/32/39/11/598323911.db2.gz HGBPHPXPCCXEAS-HNNXBMFYSA-N -1 3 397.479 3.985 20 0 GHADHM CCCC[C@H](CC)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736437142 598323913 /nfs/dbraw/zinc/32/39/13/598323913.db2.gz HGBPHPXPCCXEAS-HNNXBMFYSA-N -1 3 397.479 3.985 20 0 GHADHM O=C(Nc1ccc(F)cc1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738166016 598326363 /nfs/dbraw/zinc/32/63/63/598326363.db2.gz PIVGBYDOACJQLA-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1ccc(F)cc1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738166016 598326365 /nfs/dbraw/zinc/32/63/65/598326365.db2.gz PIVGBYDOACJQLA-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM Cc1cccc(C2(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CCCC2)c1 ZINC000737388465 598326948 /nfs/dbraw/zinc/32/69/48/598326948.db2.gz DUUYOHUHGJJNIA-UHFFFAOYSA-N -1 3 394.454 3.583 20 0 GHADHM Cc1cccc(C2(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CCCC2)c1 ZINC000737388465 598326950 /nfs/dbraw/zinc/32/69/50/598326950.db2.gz DUUYOHUHGJJNIA-UHFFFAOYSA-N -1 3 394.454 3.583 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000738192118 598354831 /nfs/dbraw/zinc/35/48/31/598354831.db2.gz WYESPSXKJIZJMA-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000738192118 598354833 /nfs/dbraw/zinc/35/48/33/598354833.db2.gz WYESPSXKJIZJMA-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000738116882 598359916 /nfs/dbraw/zinc/35/99/16/598359916.db2.gz LVGZNMKMGUPSJM-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000738116882 598359917 /nfs/dbraw/zinc/35/99/17/598359917.db2.gz LVGZNMKMGUPSJM-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736096550 598360148 /nfs/dbraw/zinc/36/01/48/598360148.db2.gz AAOPOGBXMJWSLK-BSYHEUMXSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736096550 598360150 /nfs/dbraw/zinc/36/01/50/598360150.db2.gz AAOPOGBXMJWSLK-BSYHEUMXSA-N -1 3 375.457 3.972 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737148684 598360942 /nfs/dbraw/zinc/36/09/42/598360942.db2.gz UFSIEEYGBMOKHT-JKIKYLSZSA-N -1 3 389.459 3.642 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737148684 598360943 /nfs/dbraw/zinc/36/09/43/598360943.db2.gz UFSIEEYGBMOKHT-JKIKYLSZSA-N -1 3 389.459 3.642 20 0 GHADHM C[C@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736164432 598362994 /nfs/dbraw/zinc/36/29/94/598362994.db2.gz OPUFVDZRIZTGIE-AWEZNQCLSA-N -1 3 390.399 3.957 20 0 GHADHM C[C@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736164432 598362995 /nfs/dbraw/zinc/36/29/95/598362995.db2.gz OPUFVDZRIZTGIE-AWEZNQCLSA-N -1 3 390.399 3.957 20 0 GHADHM COC(=O)c1sc2ccccc2c1CN(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736956826 598369779 /nfs/dbraw/zinc/36/97/79/598369779.db2.gz KSCFSLWAZBDDMG-UHFFFAOYSA-N -1 3 393.472 3.500 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000736137201 598389205 /nfs/dbraw/zinc/38/92/05/598389205.db2.gz KSZSPFVCPAKRGL-MRVPVSSYSA-N -1 3 384.749 3.987 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000736137201 598389207 /nfs/dbraw/zinc/38/92/07/598389207.db2.gz KSZSPFVCPAKRGL-MRVPVSSYSA-N -1 3 384.749 3.987 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccc(-c3nnn[n-]3)cc1)C1CC1)CC2 ZINC000737372498 598393016 /nfs/dbraw/zinc/39/30/16/598393016.db2.gz ZJGWHEYYOVSTJX-FQEVSTJZSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccc(-c3nn[n-]n3)cc1)C1CC1)CC2 ZINC000737372498 598393017 /nfs/dbraw/zinc/39/30/17/598393017.db2.gz ZJGWHEYYOVSTJX-FQEVSTJZSA-N -1 3 388.475 3.537 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000736672135 598396875 /nfs/dbraw/zinc/39/68/75/598396875.db2.gz ZJQLRFSHOVPQML-LSDHHAIUSA-N -1 3 383.477 3.550 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000736672135 598396876 /nfs/dbraw/zinc/39/68/76/598396876.db2.gz ZJQLRFSHOVPQML-LSDHHAIUSA-N -1 3 383.477 3.550 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1 ZINC000737342521 598417292 /nfs/dbraw/zinc/41/72/92/598417292.db2.gz GMFMDOUQBYVZBS-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000737342521 598417293 /nfs/dbraw/zinc/41/72/93/598417293.db2.gz GMFMDOUQBYVZBS-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H](C)Cc2ccccc2OC)s1 ZINC000736679266 598420784 /nfs/dbraw/zinc/42/07/84/598420784.db2.gz QHUNDOKFUPLVOS-LBPRGKRZSA-N -1 3 385.493 3.707 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H](C)Cc2ccccc2OC)s1 ZINC000736679266 598420786 /nfs/dbraw/zinc/42/07/86/598420786.db2.gz QHUNDOKFUPLVOS-LBPRGKRZSA-N -1 3 385.493 3.707 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736170188 598422693 /nfs/dbraw/zinc/42/26/93/598422693.db2.gz OJWXEUHIEASQLW-OLZOCXBDSA-N -1 3 393.472 3.726 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735733578 598425485 /nfs/dbraw/zinc/42/54/85/598425485.db2.gz BNHWKZMCAVFNQS-QGZVFWFLSA-N -1 3 386.452 3.866 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735733578 598425487 /nfs/dbraw/zinc/42/54/87/598425487.db2.gz BNHWKZMCAVFNQS-QGZVFWFLSA-N -1 3 386.452 3.866 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000735873217 598427299 /nfs/dbraw/zinc/42/72/99/598427299.db2.gz CNTIRFGZKDXUOY-UHFFFAOYSA-N -1 3 392.463 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000735873217 598427301 /nfs/dbraw/zinc/42/73/01/598427301.db2.gz CNTIRFGZKDXUOY-UHFFFAOYSA-N -1 3 392.463 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1cccc(Cl)c1 ZINC000735875029 598427776 /nfs/dbraw/zinc/42/77/76/598427776.db2.gz YFAGYVJQOAHKBF-UHFFFAOYSA-N -1 3 398.898 3.683 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1cccc(Cl)c1 ZINC000735875029 598427777 /nfs/dbraw/zinc/42/77/77/598427777.db2.gz YFAGYVJQOAHKBF-UHFFFAOYSA-N -1 3 398.898 3.683 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737319883 598430608 /nfs/dbraw/zinc/43/06/08/598430608.db2.gz HBGGAROGOKDNSC-AWEZNQCLSA-N -1 3 384.509 3.918 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737319883 598430609 /nfs/dbraw/zinc/43/06/09/598430609.db2.gz HBGGAROGOKDNSC-AWEZNQCLSA-N -1 3 384.509 3.918 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738406985 598441860 /nfs/dbraw/zinc/44/18/60/598441860.db2.gz FEGXYSULXTUGON-MRXNPFEDSA-N -1 3 378.505 3.833 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738406985 598441862 /nfs/dbraw/zinc/44/18/62/598441862.db2.gz FEGXYSULXTUGON-MRXNPFEDSA-N -1 3 378.505 3.833 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736815357 598442823 /nfs/dbraw/zinc/44/28/23/598442823.db2.gz YDFUPWAPLCLOOI-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736815357 598442825 /nfs/dbraw/zinc/44/28/25/598442825.db2.gz YDFUPWAPLCLOOI-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000736506085 598443248 /nfs/dbraw/zinc/44/32/48/598443248.db2.gz QTLNLRSINGQRAI-NSHDSACASA-N -1 3 390.369 3.504 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000736506085 598443250 /nfs/dbraw/zinc/44/32/50/598443250.db2.gz QTLNLRSINGQRAI-NSHDSACASA-N -1 3 390.369 3.504 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738320229 598451503 /nfs/dbraw/zinc/45/15/03/598451503.db2.gz WCEXQEAWFJUYPN-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738320229 598451505 /nfs/dbraw/zinc/45/15/05/598451505.db2.gz WCEXQEAWFJUYPN-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000736637593 598467336 /nfs/dbraw/zinc/46/73/36/598467336.db2.gz WLKNPJAIMGDNDJ-CDNVCLAFSA-N -1 3 395.438 3.696 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158832 598484445 /nfs/dbraw/zinc/48/44/45/598484445.db2.gz JXKARPWZNSRNDN-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158832 598484447 /nfs/dbraw/zinc/48/44/47/598484447.db2.gz JXKARPWZNSRNDN-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM C[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156063 598488794 /nfs/dbraw/zinc/48/87/94/598488794.db2.gz SYUOFFOTEGOISQ-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156063 598488795 /nfs/dbraw/zinc/48/87/95/598488795.db2.gz SYUOFFOTEGOISQ-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736149987 598490291 /nfs/dbraw/zinc/49/02/91/598490291.db2.gz MAJJXSYHVWZDPO-AWEZNQCLSA-N -1 3 375.432 3.975 20 0 GHADHM C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736149987 598490292 /nfs/dbraw/zinc/49/02/92/598490292.db2.gz MAJJXSYHVWZDPO-AWEZNQCLSA-N -1 3 375.432 3.975 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000735660463 598490446 /nfs/dbraw/zinc/49/04/46/598490446.db2.gz BAERHKFYYZDVLA-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000735660463 598490447 /nfs/dbraw/zinc/49/04/47/598490447.db2.gz BAERHKFYYZDVLA-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM Cc1nnc(NCc2ccccc2Oc2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000737532023 598503919 /nfs/dbraw/zinc/50/39/19/598503919.db2.gz IGECQXVGHRFQMB-UHFFFAOYSA-N -1 3 391.410 3.817 20 0 GHADHM Cc1nnc(NCc2ccccc2Oc2cccc(F)c2)c(-c2nn[n-]n2)c1C ZINC000737532023 598503921 /nfs/dbraw/zinc/50/39/21/598503921.db2.gz IGECQXVGHRFQMB-UHFFFAOYSA-N -1 3 391.410 3.817 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737380151 598504184 /nfs/dbraw/zinc/50/41/84/598504184.db2.gz MAHIAUQUDFVFAY-UHFFFAOYSA-N -1 3 389.419 3.601 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737380151 598504185 /nfs/dbraw/zinc/50/41/85/598504185.db2.gz MAHIAUQUDFVFAY-UHFFFAOYSA-N -1 3 389.419 3.601 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737064947 598507687 /nfs/dbraw/zinc/50/76/87/598507687.db2.gz FTQKZQITDJPQDB-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737064947 598507689 /nfs/dbraw/zinc/50/76/89/598507689.db2.gz FTQKZQITDJPQDB-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM O=C(NCCCNc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738075540 598511280 /nfs/dbraw/zinc/51/12/80/598511280.db2.gz LDKLRRAYXHTIHE-UHFFFAOYSA-N -1 3 398.470 3.766 20 0 GHADHM O=C(NCCCNc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738075540 598511283 /nfs/dbraw/zinc/51/12/83/598511283.db2.gz LDKLRRAYXHTIHE-UHFFFAOYSA-N -1 3 398.470 3.766 20 0 GHADHM COc1cc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)CCCC2)ccc1C ZINC000737042036 598512463 /nfs/dbraw/zinc/51/24/63/598512463.db2.gz OMNRINATGMCYAB-UHFFFAOYSA-N -1 3 392.459 3.739 20 0 GHADHM COc1cc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)CCCC2)ccc1C ZINC000737042036 598512464 /nfs/dbraw/zinc/51/24/64/598512464.db2.gz OMNRINATGMCYAB-UHFFFAOYSA-N -1 3 392.459 3.739 20 0 GHADHM CCSc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cn1 ZINC000736664756 598513844 /nfs/dbraw/zinc/51/38/44/598513844.db2.gz DNMQOMUQWPAHEQ-UHFFFAOYSA-N -1 3 396.520 3.672 20 0 GHADHM CCSc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cn1 ZINC000736664756 598513845 /nfs/dbraw/zinc/51/38/45/598513845.db2.gz DNMQOMUQWPAHEQ-UHFFFAOYSA-N -1 3 396.520 3.672 20 0 GHADHM CCc1c(C)sc(NC(=O)C=C(C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000736672206 598514214 /nfs/dbraw/zinc/51/42/14/598514214.db2.gz ZXDYWAORRUJDHP-KHPPLWFESA-N -1 3 383.477 3.850 20 0 GHADHM CCc1c(C)sc(NC(=O)C=C(C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000736672206 598514215 /nfs/dbraw/zinc/51/42/15/598514215.db2.gz ZXDYWAORRUJDHP-KHPPLWFESA-N -1 3 383.477 3.850 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206882 598514534 /nfs/dbraw/zinc/51/45/34/598514534.db2.gz HRWZAPXSEMMVKD-UWVGGRQHSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206882 598514536 /nfs/dbraw/zinc/51/45/36/598514536.db2.gz HRWZAPXSEMMVKD-UWVGGRQHSA-N -1 3 380.260 3.977 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000736669813 598515398 /nfs/dbraw/zinc/51/53/98/598515398.db2.gz LYXGUCNIDKQIES-UHFFFAOYSA-N -1 3 377.420 3.649 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000736669813 598515400 /nfs/dbraw/zinc/51/54/00/598515400.db2.gz LYXGUCNIDKQIES-UHFFFAOYSA-N -1 3 377.420 3.649 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(C(C)C)cc2)c1-c1nnn[n-]1 ZINC000736675818 598517456 /nfs/dbraw/zinc/51/74/56/598517456.db2.gz OWWPRKCAFHOKAQ-UHFFFAOYSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(C(C)C)cc2)c1-c1nn[n-]n1 ZINC000736675818 598517457 /nfs/dbraw/zinc/51/74/57/598517457.db2.gz OWWPRKCAFHOKAQ-UHFFFAOYSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000736672097 598518505 /nfs/dbraw/zinc/51/85/05/598518505.db2.gz YGSSZKPRNBJKSW-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000736672097 598518506 /nfs/dbraw/zinc/51/85/06/598518506.db2.gz YGSSZKPRNBJKSW-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N(Cc1cscn1)c1ccccc1 ZINC000738406329 598533629 /nfs/dbraw/zinc/53/36/29/598533629.db2.gz COQOYQSYTYAJCF-UHFFFAOYSA-N -1 3 393.501 3.727 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N(Cc1cscn1)c1ccccc1 ZINC000738406329 598533631 /nfs/dbraw/zinc/53/36/31/598533631.db2.gz COQOYQSYTYAJCF-UHFFFAOYSA-N -1 3 393.501 3.727 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1cscn1)c1ccccc1 ZINC000737796218 598534928 /nfs/dbraw/zinc/53/49/28/598534928.db2.gz FFTPSUKCIWQZIL-KHPPLWFESA-N -1 3 388.456 3.570 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1cscn1)c1ccccc1 ZINC000737796218 598534929 /nfs/dbraw/zinc/53/49/29/598534929.db2.gz FFTPSUKCIWQZIL-KHPPLWFESA-N -1 3 388.456 3.570 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000736119593 598537651 /nfs/dbraw/zinc/53/76/51/598537651.db2.gz PJMPJGVOJSLCNZ-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM O=C(OC[C@H]1CC=CCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738217975 598539788 /nfs/dbraw/zinc/53/97/88/598539788.db2.gz BRJICTNYFWGMSL-AWEZNQCLSA-N -1 3 380.404 3.552 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000738139181 598547421 /nfs/dbraw/zinc/54/74/21/598547421.db2.gz LVRCNWRFRXNLKD-UHFFFAOYSA-N -1 3 389.406 3.623 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000738139181 598547423 /nfs/dbraw/zinc/54/74/23/598547423.db2.gz LVRCNWRFRXNLKD-UHFFFAOYSA-N -1 3 389.406 3.623 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)cc1Cl ZINC000738145392 598547457 /nfs/dbraw/zinc/54/74/57/598547457.db2.gz JQDGAMKFLDQRQO-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)cc1Cl ZINC000738145392 598547458 /nfs/dbraw/zinc/54/74/58/598547458.db2.gz JQDGAMKFLDQRQO-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc2ccccc2c1 ZINC000738144296 598547483 /nfs/dbraw/zinc/54/74/83/598547483.db2.gz BTJJQAGZTCWVCI-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc2ccccc2c1 ZINC000738144296 598547485 /nfs/dbraw/zinc/54/74/85/598547485.db2.gz BTJJQAGZTCWVCI-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736461524 598552718 /nfs/dbraw/zinc/55/27/18/598552718.db2.gz VSFVPZZXZYTZIX-AWEZNQCLSA-N -1 3 381.436 3.803 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736461524 598552720 /nfs/dbraw/zinc/55/27/20/598552720.db2.gz VSFVPZZXZYTZIX-AWEZNQCLSA-N -1 3 381.436 3.803 20 0 GHADHM CSC[C@H](C)C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000737179443 598553718 /nfs/dbraw/zinc/55/37/18/598553718.db2.gz KHPUBPYPYARTFJ-AWEZNQCLSA-N -1 3 399.495 3.847 20 0 GHADHM CSC[C@H](C)C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000737179443 598553719 /nfs/dbraw/zinc/55/37/19/598553719.db2.gz KHPUBPYPYARTFJ-AWEZNQCLSA-N -1 3 399.495 3.847 20 0 GHADHM CCc1ncc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000736704640 598554748 /nfs/dbraw/zinc/55/47/48/598554748.db2.gz ADAICIQKIUPNKK-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000736704640 598554751 /nfs/dbraw/zinc/55/47/51/598554751.db2.gz ADAICIQKIUPNKK-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000736820861 598555752 /nfs/dbraw/zinc/55/57/52/598555752.db2.gz QONZNCRKIVPKII-UHFFFAOYSA-N -1 3 398.898 3.639 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000736820861 598555753 /nfs/dbraw/zinc/55/57/53/598555753.db2.gz QONZNCRKIVPKII-UHFFFAOYSA-N -1 3 398.898 3.639 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000738171715 598555919 /nfs/dbraw/zinc/55/59/19/598555919.db2.gz JXCRWUHFUIWVLU-FQEVSTJZSA-N -1 3 399.410 3.601 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000738171715 598555921 /nfs/dbraw/zinc/55/59/21/598555921.db2.gz JXCRWUHFUIWVLU-FQEVSTJZSA-N -1 3 399.410 3.601 20 0 GHADHM Cc1cn2nc(Nc3ccc(Oc4cccc(-c5nnn[n-]5)c4)cc3)sc2n1 ZINC000737445954 598557311 /nfs/dbraw/zinc/55/73/11/598557311.db2.gz MEANACSRJRTKGE-UHFFFAOYSA-N -1 3 390.432 3.815 20 0 GHADHM Cc1cn2nc(Nc3ccc(Oc4cccc(-c5nn[n-]n5)c4)cc3)sc2n1 ZINC000737445954 598557312 /nfs/dbraw/zinc/55/73/12/598557312.db2.gz MEANACSRJRTKGE-UHFFFAOYSA-N -1 3 390.432 3.815 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817875 598567850 /nfs/dbraw/zinc/56/78/50/598567850.db2.gz GHDYOBRULQMOJQ-IAGOWNOFSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817875 598567852 /nfs/dbraw/zinc/56/78/52/598567852.db2.gz GHDYOBRULQMOJQ-IAGOWNOFSA-N -1 3 397.429 3.938 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162937 598568899 /nfs/dbraw/zinc/56/88/99/598568899.db2.gz IEIRPKHAPJGQOZ-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162937 598568901 /nfs/dbraw/zinc/56/89/01/598568901.db2.gz IEIRPKHAPJGQOZ-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC000736290573 598577332 /nfs/dbraw/zinc/57/73/32/598577332.db2.gz QZLSJBIBRFRZID-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC000736290573 598577334 /nfs/dbraw/zinc/57/73/34/598577334.db2.gz QZLSJBIBRFRZID-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM Fc1ccc(Cl)c2c1N(C(=S)Nc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737659626 598582292 /nfs/dbraw/zinc/58/22/92/598582292.db2.gz KJMIPUVCTPJERK-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM Fc1ccc(Cl)c2c1N(C(=S)Nc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737659626 598582293 /nfs/dbraw/zinc/58/22/93/598582293.db2.gz KJMIPUVCTPJERK-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1c2ccccc2Oc2ccccc21 ZINC000738164423 598592489 /nfs/dbraw/zinc/59/24/89/598592489.db2.gz ZMPXYTISPSATED-UHFFFAOYSA-N -1 3 387.374 3.882 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1c2ccccc2Oc2ccccc21 ZINC000738164423 598592491 /nfs/dbraw/zinc/59/24/91/598592491.db2.gz ZMPXYTISPSATED-UHFFFAOYSA-N -1 3 387.374 3.882 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CCCC1 ZINC000738171197 598594401 /nfs/dbraw/zinc/59/44/01/598594401.db2.gz FUTZAVRNKJTNKQ-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CCCC1 ZINC000738171197 598594403 /nfs/dbraw/zinc/59/44/03/598594403.db2.gz FUTZAVRNKJTNKQ-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000738168274 598601153 /nfs/dbraw/zinc/60/11/53/598601153.db2.gz XQZYAKLXBOGYSU-UHFFFAOYSA-N -1 3 376.395 3.618 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000738168274 598601154 /nfs/dbraw/zinc/60/11/54/598601154.db2.gz XQZYAKLXBOGYSU-UHFFFAOYSA-N -1 3 376.395 3.618 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000736187231 598612539 /nfs/dbraw/zinc/61/25/39/598612539.db2.gz GQJSDGOZAGJJIL-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000736187231 598612541 /nfs/dbraw/zinc/61/25/41/598612541.db2.gz GQJSDGOZAGJJIL-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM C[C@H](OC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736155007 598618422 /nfs/dbraw/zinc/61/84/22/598618422.db2.gz FLBAPQZNKNGCMS-NSHDSACASA-N -1 3 391.353 3.602 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737451905 598623130 /nfs/dbraw/zinc/62/31/30/598623130.db2.gz FUILNOYPBFSDPL-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737451905 598623131 /nfs/dbraw/zinc/62/31/31/598623131.db2.gz FUILNOYPBFSDPL-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM O=C(NCCc1cccc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738089175 598625049 /nfs/dbraw/zinc/62/50/49/598625049.db2.gz VHVUDSQEGTVESO-UHFFFAOYSA-N -1 3 376.395 3.523 20 0 GHADHM O=C(NCCc1cccc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738089175 598625050 /nfs/dbraw/zinc/62/50/50/598625050.db2.gz VHVUDSQEGTVESO-UHFFFAOYSA-N -1 3 376.395 3.523 20 0 GHADHM Cc1cccc(C)c1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737391231 598646859 /nfs/dbraw/zinc/64/68/59/598646859.db2.gz WPYGRPUSJCYOTH-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cccc(C)c1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737391231 598646861 /nfs/dbraw/zinc/64/68/61/598646861.db2.gz WPYGRPUSJCYOTH-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736267721 598647171 /nfs/dbraw/zinc/64/71/71/598647171.db2.gz CHVRNVOSAIZACK-KUHUBIRLSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736267721 598647173 /nfs/dbraw/zinc/64/71/73/598647173.db2.gz CHVRNVOSAIZACK-KUHUBIRLSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@@H]1C ZINC000736251963 598647820 /nfs/dbraw/zinc/64/78/20/598647820.db2.gz JMDZPCWMPBYPLP-HBUWYVDXSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@@H]1C ZINC000736251963 598647822 /nfs/dbraw/zinc/64/78/22/598647822.db2.gz JMDZPCWMPBYPLP-HBUWYVDXSA-N -1 3 392.463 3.609 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1cccc(F)c1 ZINC000735448412 598650976 /nfs/dbraw/zinc/65/09/76/598650976.db2.gz JFFPKTANGOXYKZ-PTNGSMBKSA-N -1 3 379.439 3.846 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1cccc(F)c1 ZINC000735448412 598650978 /nfs/dbraw/zinc/65/09/78/598650978.db2.gz JFFPKTANGOXYKZ-PTNGSMBKSA-N -1 3 379.439 3.846 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000736501925 598651634 /nfs/dbraw/zinc/65/16/34/598651634.db2.gz IJTUFJPPZVHPOL-UHFFFAOYSA-N -1 3 383.427 3.608 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000736501925 598651636 /nfs/dbraw/zinc/65/16/36/598651636.db2.gz IJTUFJPPZVHPOL-UHFFFAOYSA-N -1 3 383.427 3.608 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737246926 598652237 /nfs/dbraw/zinc/65/22/37/598652237.db2.gz VPRJSIWAWNDJNC-CQSZACIVSA-N -1 3 399.520 3.972 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737246926 598652239 /nfs/dbraw/zinc/65/22/39/598652239.db2.gz VPRJSIWAWNDJNC-CQSZACIVSA-N -1 3 399.520 3.972 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000736820470 598652823 /nfs/dbraw/zinc/65/28/23/598652823.db2.gz MMZZLGDYTXIXJT-MRXNPFEDSA-N -1 3 389.381 3.561 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000736820470 598652825 /nfs/dbraw/zinc/65/28/25/598652825.db2.gz MMZZLGDYTXIXJT-MRXNPFEDSA-N -1 3 389.381 3.561 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737285715 598653629 /nfs/dbraw/zinc/65/36/29/598653629.db2.gz TYUQSDLOGKNYND-INIZCTEOSA-N -1 3 397.504 3.690 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737285715 598653630 /nfs/dbraw/zinc/65/36/30/598653630.db2.gz TYUQSDLOGKNYND-INIZCTEOSA-N -1 3 397.504 3.690 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737409425 598665430 /nfs/dbraw/zinc/66/54/30/598665430.db2.gz OBLQBDATEQCCAC-HXUWFJFHSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737409425 598665431 /nfs/dbraw/zinc/66/54/31/598665431.db2.gz OBLQBDATEQCCAC-HXUWFJFHSA-N -1 3 391.475 3.528 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)cc1F ZINC000737660291 598665731 /nfs/dbraw/zinc/66/57/31/598665731.db2.gz QCWIGLJTYIZRBV-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)cc1F ZINC000737660291 598665733 /nfs/dbraw/zinc/66/57/33/598665733.db2.gz QCWIGLJTYIZRBV-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C1CCCCC1 ZINC000738247158 598667326 /nfs/dbraw/zinc/66/73/26/598667326.db2.gz NIMITHIFCULQIQ-UHFFFAOYSA-N -1 3 391.431 3.605 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C1CCCCC1 ZINC000738247158 598667328 /nfs/dbraw/zinc/66/73/28/598667328.db2.gz NIMITHIFCULQIQ-UHFFFAOYSA-N -1 3 391.431 3.605 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737343420 598668427 /nfs/dbraw/zinc/66/84/27/598668427.db2.gz OYRVWRHOMXFGNS-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737343420 598668429 /nfs/dbraw/zinc/66/84/29/598668429.db2.gz OYRVWRHOMXFGNS-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737795620 598669671 /nfs/dbraw/zinc/66/96/71/598669671.db2.gz BBMZRGJNHOCBQO-OJXHRBAXSA-N -1 3 379.851 3.549 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737795620 598669673 /nfs/dbraw/zinc/66/96/73/598669673.db2.gz BBMZRGJNHOCBQO-OJXHRBAXSA-N -1 3 379.851 3.549 20 0 GHADHM Cc1cc(Br)ccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737230885 598675709 /nfs/dbraw/zinc/67/57/09/598675709.db2.gz JSRJHOUOAJAVRP-UHFFFAOYSA-N -1 3 380.196 3.828 20 0 GHADHM Cc1cc(Br)ccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737230885 598675711 /nfs/dbraw/zinc/67/57/11/598675711.db2.gz JSRJHOUOAJAVRP-UHFFFAOYSA-N -1 3 380.196 3.828 20 0 GHADHM Fc1ccc2c(c1)[nH]cc2C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737657484 598677454 /nfs/dbraw/zinc/67/74/54/598677454.db2.gz WAOCIJIJWOPWQF-UHFFFAOYSA-N -1 3 397.845 3.920 20 0 GHADHM Fc1ccc2c(c1)[nH]cc2C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737657484 598677455 /nfs/dbraw/zinc/67/74/55/598677455.db2.gz WAOCIJIJWOPWQF-UHFFFAOYSA-N -1 3 397.845 3.920 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CC[C@H]1c1ccccc1 ZINC000738268993 598684083 /nfs/dbraw/zinc/68/40/83/598684083.db2.gz JSDBJXWIEUPTHG-IBGZPJMESA-N -1 3 398.426 3.641 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CC[C@H]1c1ccccc1 ZINC000738268993 598684085 /nfs/dbraw/zinc/68/40/85/598684085.db2.gz JSDBJXWIEUPTHG-IBGZPJMESA-N -1 3 398.426 3.641 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736192327 598696042 /nfs/dbraw/zinc/69/60/42/598696042.db2.gz YEBCZYKVTGQMGT-OLZOCXBDSA-N -1 3 385.468 3.505 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736192327 598696044 /nfs/dbraw/zinc/69/60/44/598696044.db2.gz YEBCZYKVTGQMGT-OLZOCXBDSA-N -1 3 385.468 3.505 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737423342 598696622 /nfs/dbraw/zinc/69/66/22/598696622.db2.gz QSVPDPFABVAOQM-KGLIPLIRSA-N -1 3 399.495 3.813 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737423342 598696624 /nfs/dbraw/zinc/69/66/24/598696624.db2.gz QSVPDPFABVAOQM-KGLIPLIRSA-N -1 3 399.495 3.813 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736191488 598704383 /nfs/dbraw/zinc/70/43/83/598704383.db2.gz JIRCQVNDEACHLX-JTQLQIEISA-N -1 3 392.843 3.883 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736191488 598704385 /nfs/dbraw/zinc/70/43/85/598704385.db2.gz JIRCQVNDEACHLX-JTQLQIEISA-N -1 3 392.843 3.883 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736157097 598713330 /nfs/dbraw/zinc/71/33/30/598713330.db2.gz ZACLSTSBPRWLMH-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736157097 598713332 /nfs/dbraw/zinc/71/33/32/598713332.db2.gz ZACLSTSBPRWLMH-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000736481152 598717251 /nfs/dbraw/zinc/71/72/51/598717251.db2.gz UWQLIUCZBIZLNC-ZDUSSCGKSA-N -1 3 399.524 3.568 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000736481152 598717252 /nfs/dbraw/zinc/71/72/52/598717252.db2.gz UWQLIUCZBIZLNC-ZDUSSCGKSA-N -1 3 399.524 3.568 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000736480141 598717276 /nfs/dbraw/zinc/71/72/76/598717276.db2.gz KXEKLLLRVFLAAV-FOIQADDNSA-N -1 3 390.491 3.722 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000736480141 598717278 /nfs/dbraw/zinc/71/72/78/598717278.db2.gz KXEKLLLRVFLAAV-FOIQADDNSA-N -1 3 390.491 3.722 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000735907279 598729005 /nfs/dbraw/zinc/72/90/05/598729005.db2.gz ZXPKHZPRSJEHNK-YJYMSZOUSA-N -1 3 392.463 3.709 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000735907279 598729006 /nfs/dbraw/zinc/72/90/06/598729006.db2.gz ZXPKHZPRSJEHNK-YJYMSZOUSA-N -1 3 392.463 3.709 20 0 GHADHM Cc1ncsc1COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737503215 598735732 /nfs/dbraw/zinc/73/57/32/598735732.db2.gz MEYQQUNLSKERCP-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1ncsc1COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737503215 598735734 /nfs/dbraw/zinc/73/57/34/598735734.db2.gz MEYQQUNLSKERCP-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000735975907 598766117 /nfs/dbraw/zinc/76/61/17/598766117.db2.gz QQORXJWLSXGKNP-INIZCTEOSA-N -1 3 391.475 3.513 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000735975907 598766118 /nfs/dbraw/zinc/76/61/18/598766118.db2.gz QQORXJWLSXGKNP-INIZCTEOSA-N -1 3 391.475 3.513 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738184621 598769870 /nfs/dbraw/zinc/76/98/70/598769870.db2.gz SRVZKOVSQWGVEN-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735920962 598770427 /nfs/dbraw/zinc/77/04/27/598770427.db2.gz CKOCORQZIXWWGU-CQSZACIVSA-N -1 3 396.520 3.928 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735920962 598770429 /nfs/dbraw/zinc/77/04/29/598770429.db2.gz CKOCORQZIXWWGU-CQSZACIVSA-N -1 3 396.520 3.928 20 0 GHADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737511810 598787841 /nfs/dbraw/zinc/78/78/41/598787841.db2.gz OYPFVYCWWPPLOY-ZDUSSCGKSA-N -1 3 378.267 3.557 20 0 GHADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737511810 598787843 /nfs/dbraw/zinc/78/78/43/598787843.db2.gz OYPFVYCWWPPLOY-ZDUSSCGKSA-N -1 3 378.267 3.557 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1CCc2ccccc21 ZINC000738171126 598791313 /nfs/dbraw/zinc/79/13/13/598791313.db2.gz BSWOJGWBRMDFRN-IBGZPJMESA-N -1 3 398.426 3.723 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735679033 598799423 /nfs/dbraw/zinc/79/94/23/598799423.db2.gz DEKAWZYSFWLGDD-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735679033 598799424 /nfs/dbraw/zinc/79/94/24/598799424.db2.gz DEKAWZYSFWLGDD-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735734273 598801307 /nfs/dbraw/zinc/80/13/07/598801307.db2.gz GJMHTYRXRBJWON-GOSISDBHSA-N -1 3 382.443 3.545 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735734273 598801308 /nfs/dbraw/zinc/80/13/08/598801308.db2.gz GJMHTYRXRBJWON-GOSISDBHSA-N -1 3 382.443 3.545 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC000820173648 607367110 /nfs/dbraw/zinc/36/71/10/607367110.db2.gz KNOXCOUQWAOQRE-UHFFFAOYSA-N -1 3 394.504 3.952 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC000820173648 607367112 /nfs/dbraw/zinc/36/71/12/607367112.db2.gz KNOXCOUQWAOQRE-UHFFFAOYSA-N -1 3 394.504 3.952 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000738152028 598805533 /nfs/dbraw/zinc/80/55/33/598805533.db2.gz PHYLBJZLVIGYFE-SFHVURJKSA-N -1 3 388.456 3.734 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000738152028 598805535 /nfs/dbraw/zinc/80/55/35/598805535.db2.gz PHYLBJZLVIGYFE-SFHVURJKSA-N -1 3 388.456 3.734 20 0 GHADHM CCc1sc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2F)c1-c1ccccc1 ZINC000736712575 598819012 /nfs/dbraw/zinc/81/90/12/598819012.db2.gz GEFHOYNIHJGAFC-UHFFFAOYSA-N -1 3 381.436 3.507 20 0 GHADHM CCc1sc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2F)c1-c1ccccc1 ZINC000736712575 598819013 /nfs/dbraw/zinc/81/90/13/598819013.db2.gz GEFHOYNIHJGAFC-UHFFFAOYSA-N -1 3 381.436 3.507 20 0 GHADHM CC(C)(C)c1cnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000819966186 599296287 /nfs/dbraw/zinc/29/62/87/599296287.db2.gz YJXMJQQZJZSJGO-UHFFFAOYSA-N -1 3 397.508 3.817 20 0 GHADHM CC(C)(C)c1cnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000819966186 599296289 /nfs/dbraw/zinc/29/62/89/599296289.db2.gz YJXMJQQZJZSJGO-UHFFFAOYSA-N -1 3 397.508 3.817 20 0 GHADHM CCc1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)sc1C ZINC000821509255 599297328 /nfs/dbraw/zinc/29/73/28/599297328.db2.gz DZFXMWGIWYSTSX-UHFFFAOYSA-N -1 3 385.497 3.637 20 0 GHADHM CCc1nc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)sc1C ZINC000821509255 599297329 /nfs/dbraw/zinc/29/73/29/599297329.db2.gz DZFXMWGIWYSTSX-UHFFFAOYSA-N -1 3 385.497 3.637 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735902985 599300762 /nfs/dbraw/zinc/30/07/62/599300762.db2.gz BWEWEUBJEJTSBF-ZHACJKMWSA-N -1 3 383.839 3.959 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735902985 599300765 /nfs/dbraw/zinc/30/07/65/599300765.db2.gz BWEWEUBJEJTSBF-ZHACJKMWSA-N -1 3 383.839 3.959 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000738384580 599306182 /nfs/dbraw/zinc/30/61/82/599306182.db2.gz UGFDPHCBPPCPLZ-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000738384580 599306184 /nfs/dbraw/zinc/30/61/84/599306184.db2.gz UGFDPHCBPPCPLZ-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM CCN(C(=O)COc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506208 599309919 /nfs/dbraw/zinc/30/99/19/599309919.db2.gz YGZMCRYJOVQEPF-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506208 599309920 /nfs/dbraw/zinc/30/99/20/599309920.db2.gz YGZMCRYJOVQEPF-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506504 599310031 /nfs/dbraw/zinc/31/00/31/599310031.db2.gz ZYXKANZZMSWQGR-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506504 599310034 /nfs/dbraw/zinc/31/00/34/599310034.db2.gz ZYXKANZZMSWQGR-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)F)cc1 ZINC000735905615 599327351 /nfs/dbraw/zinc/32/73/51/599327351.db2.gz MDBKHGBCKZKALZ-UHFFFAOYSA-N -1 3 375.379 3.867 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)F)cc1 ZINC000735905615 599327354 /nfs/dbraw/zinc/32/73/54/599327354.db2.gz MDBKHGBCKZKALZ-UHFFFAOYSA-N -1 3 375.379 3.867 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000736187412 599327464 /nfs/dbraw/zinc/32/74/64/599327464.db2.gz AGLYAWDJIZCPFZ-KBPBESRZSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000736187412 599327467 /nfs/dbraw/zinc/32/74/67/599327467.db2.gz AGLYAWDJIZCPFZ-KBPBESRZSA-N -1 3 399.495 3.547 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000736634594 599327919 /nfs/dbraw/zinc/32/79/19/599327919.db2.gz NBBDLDDCOCRFRL-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000736634594 599327922 /nfs/dbraw/zinc/32/79/22/599327922.db2.gz NBBDLDDCOCRFRL-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188281 599333401 /nfs/dbraw/zinc/33/34/01/599333401.db2.gz KCCDACWQNWLKMM-ACJLOTCBSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188281 599333403 /nfs/dbraw/zinc/33/34/03/599333403.db2.gz KCCDACWQNWLKMM-ACJLOTCBSA-N -1 3 397.479 3.996 20 0 GHADHM O=C(NCc1ccccc1OC1CCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738125009 599339026 /nfs/dbraw/zinc/33/90/26/599339026.db2.gz ZLFVOBSWWFXHPU-UHFFFAOYSA-N -1 3 398.854 3.773 20 0 GHADHM O=C(NCc1ccccc1OC1CCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738125009 599339029 /nfs/dbraw/zinc/33/90/29/599339029.db2.gz ZLFVOBSWWFXHPU-UHFFFAOYSA-N -1 3 398.854 3.773 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737380341 599344146 /nfs/dbraw/zinc/34/41/46/599344146.db2.gz NTDVVMRFNWKVEM-LJQANCHMSA-N -1 3 399.458 3.543 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737380341 599344148 /nfs/dbraw/zinc/34/41/48/599344148.db2.gz NTDVVMRFNWKVEM-LJQANCHMSA-N -1 3 399.458 3.543 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@H](Sc3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000822239972 599345323 /nfs/dbraw/zinc/34/53/23/599345323.db2.gz MYDLABYXRXEIJG-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@H](Sc3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000822239972 599345325 /nfs/dbraw/zinc/34/53/25/599345325.db2.gz MYDLABYXRXEIJG-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc2cccnc21 ZINC000738231179 599367509 /nfs/dbraw/zinc/36/75/09/599367509.db2.gz JJESTIVUNLCRCG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc2cccnc21 ZINC000738231179 599367512 /nfs/dbraw/zinc/36/75/12/599367512.db2.gz JJESTIVUNLCRCG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736239906 599383948 /nfs/dbraw/zinc/38/39/48/599383948.db2.gz URVJIJQEVWHPBT-GPMSIDNRSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736239906 599383950 /nfs/dbraw/zinc/38/39/50/599383950.db2.gz URVJIJQEVWHPBT-GPMSIDNRSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC000820455997 599386848 /nfs/dbraw/zinc/38/68/48/599386848.db2.gz OZEQKSXDFMEYHX-GFCCVEGCSA-N -1 3 399.426 3.940 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000820455997 599386850 /nfs/dbraw/zinc/38/68/50/599386850.db2.gz OZEQKSXDFMEYHX-GFCCVEGCSA-N -1 3 399.426 3.940 20 0 GHADHM O=C(N[C@H]1CC=CCC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738018415 599391565 /nfs/dbraw/zinc/39/15/65/599391565.db2.gz AGZHWLXZKSQCFP-KRWDZBQOSA-N -1 3 391.500 3.998 20 0 GHADHM O=C(N[C@H]1CC=CCC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738018415 599391567 /nfs/dbraw/zinc/39/15/67/599391567.db2.gz AGZHWLXZKSQCFP-KRWDZBQOSA-N -1 3 391.500 3.998 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359095 599419193 /nfs/dbraw/zinc/41/91/93/599419193.db2.gz RODNEAQRQOKWPP-BZNIZROVSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359095 599419194 /nfs/dbraw/zinc/41/91/94/599419194.db2.gz RODNEAQRQOKWPP-BZNIZROVSA-N -1 3 398.467 3.603 20 0 GHADHM Fc1ccccc1OC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000822796052 599421568 /nfs/dbraw/zinc/42/15/68/599421568.db2.gz LFPRXJUUNTWVHB-KRWDZBQOSA-N -1 3 379.395 3.509 20 0 GHADHM Fc1ccccc1OC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000822796052 599421570 /nfs/dbraw/zinc/42/15/70/599421570.db2.gz LFPRXJUUNTWVHB-KRWDZBQOSA-N -1 3 379.395 3.509 20 0 GHADHM C[C@@H](NC(=O)NCCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367993 599430024 /nfs/dbraw/zinc/43/00/24/599430024.db2.gz WRQDBVHWQGIYKX-MRXNPFEDSA-N -1 3 378.480 3.640 20 0 GHADHM C[C@@H](NC(=O)NCCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367993 599430026 /nfs/dbraw/zinc/43/00/26/599430026.db2.gz WRQDBVHWQGIYKX-MRXNPFEDSA-N -1 3 378.480 3.640 20 0 GHADHM C[C@@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350730 599441258 /nfs/dbraw/zinc/44/12/58/599441258.db2.gz LIGANCLBBNWQBJ-CQSZACIVSA-N -1 3 382.512 3.976 20 0 GHADHM C[C@@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350730 599441260 /nfs/dbraw/zinc/44/12/60/599441260.db2.gz LIGANCLBBNWQBJ-CQSZACIVSA-N -1 3 382.512 3.976 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820353020 599441308 /nfs/dbraw/zinc/44/13/08/599441308.db2.gz XEEZDLRVWQOXIN-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820353020 599441310 /nfs/dbraw/zinc/44/13/10/599441310.db2.gz XEEZDLRVWQOXIN-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000821104689 599447993 /nfs/dbraw/zinc/44/79/93/599447993.db2.gz NDPYQFUFSZAOMZ-HNNXBMFYSA-N -1 3 398.536 3.729 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000821104689 599447995 /nfs/dbraw/zinc/44/79/95/599447995.db2.gz NDPYQFUFSZAOMZ-HNNXBMFYSA-N -1 3 398.536 3.729 20 0 GHADHM CCCCc1noc([C@H](C)SCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466041 599451015 /nfs/dbraw/zinc/45/10/15/599451015.db2.gz IESDBVHMPQCNHF-ZDUSSCGKSA-N -1 3 388.497 3.856 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820570432 599460672 /nfs/dbraw/zinc/46/06/72/599460672.db2.gz JSIOXVRNFPTWML-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820570432 599460673 /nfs/dbraw/zinc/46/06/73/599460673.db2.gz JSIOXVRNFPTWML-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM CCO[C@@H](C)c1noc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000736616297 599462864 /nfs/dbraw/zinc/46/28/64/599462864.db2.gz NJSFWOAQVLNHSN-ZDUSSCGKSA-N -1 3 392.419 3.593 20 0 GHADHM CCO[C@@H](C)c1noc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000736616297 599462868 /nfs/dbraw/zinc/46/28/68/599462868.db2.gz NJSFWOAQVLNHSN-ZDUSSCGKSA-N -1 3 392.419 3.593 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737441270 599468897 /nfs/dbraw/zinc/46/88/97/599468897.db2.gz CADJULZASNOFLR-GOSISDBHSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737441270 599468899 /nfs/dbraw/zinc/46/88/99/599468899.db2.gz CADJULZASNOFLR-GOSISDBHSA-N -1 3 389.484 3.950 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341647 599475815 /nfs/dbraw/zinc/47/58/15/599475815.db2.gz QXZRLMCCROEIET-SJCJKPOMSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341647 599475817 /nfs/dbraw/zinc/47/58/17/599475817.db2.gz QXZRLMCCROEIET-SJCJKPOMSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351218 599477680 /nfs/dbraw/zinc/47/76/80/599477680.db2.gz NAHIIZBLYCQTKF-AEFFLSMTSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351218 599477682 /nfs/dbraw/zinc/47/76/82/599477682.db2.gz NAHIIZBLYCQTKF-AEFFLSMTSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820374288 599481693 /nfs/dbraw/zinc/48/16/93/599481693.db2.gz NTFCXUWQEOYOPJ-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820374288 599481696 /nfs/dbraw/zinc/48/16/96/599481696.db2.gz NTFCXUWQEOYOPJ-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820341815 599485102 /nfs/dbraw/zinc/48/51/02/599485102.db2.gz RTNGCJDZJUWDHN-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820341815 599485103 /nfs/dbraw/zinc/48/51/03/599485103.db2.gz RTNGCJDZJUWDHN-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccccc2F)CC1 ZINC000735907190 599500512 /nfs/dbraw/zinc/50/05/12/599500512.db2.gz YGKRGKVWTBEYPJ-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccccc2F)CC1 ZINC000735907190 599500515 /nfs/dbraw/zinc/50/05/15/599500515.db2.gz YGKRGKVWTBEYPJ-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820232917 607381609 /nfs/dbraw/zinc/38/16/09/607381609.db2.gz HYUDPICDWOATSQ-DIFFPNOSSA-N -1 3 396.401 3.617 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820232917 607381611 /nfs/dbraw/zinc/38/16/11/607381611.db2.gz HYUDPICDWOATSQ-DIFFPNOSSA-N -1 3 396.401 3.617 20 0 GHADHM COCCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737014339 599521309 /nfs/dbraw/zinc/52/13/09/599521309.db2.gz IIQWILSLHSHGIT-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM C[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396608 599524203 /nfs/dbraw/zinc/52/42/03/599524203.db2.gz HECLJFXKPKKUIP-AWEZNQCLSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396608 599524207 /nfs/dbraw/zinc/52/42/07/599524207.db2.gz HECLJFXKPKKUIP-AWEZNQCLSA-N -1 3 377.448 3.679 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192469 599525096 /nfs/dbraw/zinc/52/50/96/599525096.db2.gz PFZSWXBVHCHQFH-GKCIPKSASA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192469 599525098 /nfs/dbraw/zinc/52/50/98/599525098.db2.gz PFZSWXBVHCHQFH-GKCIPKSASA-N -1 3 375.476 3.971 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322461 599526075 /nfs/dbraw/zinc/52/60/75/599526075.db2.gz SVKFHGMBUBCTDF-LAUAKBEESA-N -1 3 382.493 3.511 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322461 599526079 /nfs/dbraw/zinc/52/60/79/599526079.db2.gz SVKFHGMBUBCTDF-LAUAKBEESA-N -1 3 382.493 3.511 20 0 GHADHM COc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000821821822 599526416 /nfs/dbraw/zinc/52/64/16/599526416.db2.gz YSLKLTXEKVXZNR-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM COc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000821821822 599526418 /nfs/dbraw/zinc/52/64/18/599526418.db2.gz YSLKLTXEKVXZNR-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM Cc1cccc2c1CCN(c1c(-c3nnn[n-]3)cnc3c(F)ccc(F)c31)C2 ZINC000822340896 599528819 /nfs/dbraw/zinc/52/88/19/599528819.db2.gz MEXZHTBVWWPRAP-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM Cc1cccc2c1CCN(c1c(-c3nn[n-]n3)cnc3c(F)ccc(F)c31)C2 ZINC000822340896 599528821 /nfs/dbraw/zinc/52/88/21/599528821.db2.gz MEXZHTBVWWPRAP-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736056998 599539528 /nfs/dbraw/zinc/53/95/28/599539528.db2.gz FMBAZCUEDHSFCA-LLVKDONJSA-N -1 3 376.338 3.670 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736056998 599539529 /nfs/dbraw/zinc/53/95/29/599539529.db2.gz FMBAZCUEDHSFCA-LLVKDONJSA-N -1 3 376.338 3.670 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(F)cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821400464 599544753 /nfs/dbraw/zinc/54/47/53/599544753.db2.gz JXLVNELOSZDJEX-MIUNTBIASA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(F)cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821400464 599544754 /nfs/dbraw/zinc/54/47/54/599544754.db2.gz JXLVNELOSZDJEX-MIUNTBIASA-N -1 3 395.438 3.696 20 0 GHADHM O=C(CC/C=C\c1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737827446 599545222 /nfs/dbraw/zinc/54/52/22/599545222.db2.gz YRESCPUZIFBBAC-YWEYNIOJSA-N -1 3 385.374 3.900 20 0 GHADHM O=C(CC/C=C\c1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737827446 599545224 /nfs/dbraw/zinc/54/52/24/599545224.db2.gz YRESCPUZIFBBAC-YWEYNIOJSA-N -1 3 385.374 3.900 20 0 GHADHM C[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820716732 599550522 /nfs/dbraw/zinc/55/05/22/599550522.db2.gz KPWVMSWGSWIZSP-WMLDXEAASA-N -1 3 397.504 3.693 20 0 GHADHM C[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820716732 599550525 /nfs/dbraw/zinc/55/05/25/599550525.db2.gz KPWVMSWGSWIZSP-WMLDXEAASA-N -1 3 397.504 3.693 20 0 GHADHM CCS[C@@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000821457615 599552861 /nfs/dbraw/zinc/55/28/61/599552861.db2.gz YAVRAPIVOKRGOI-LLVKDONJSA-N -1 3 390.463 3.805 20 0 GHADHM CCS[C@@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000821457615 599552864 /nfs/dbraw/zinc/55/28/64/599552864.db2.gz YAVRAPIVOKRGOI-LLVKDONJSA-N -1 3 390.463 3.805 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738162355 599563617 /nfs/dbraw/zinc/56/36/17/599563617.db2.gz BRVRIRAKFYMJNL-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM CN(C)c1ccccc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736777753 599564864 /nfs/dbraw/zinc/56/48/64/599564864.db2.gz BSTNJFZHFBAKMF-UHFFFAOYSA-N -1 3 399.458 3.929 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCC[C@H]21 ZINC000738286353 599575265 /nfs/dbraw/zinc/57/52/65/599575265.db2.gz NAYHFLFXVGXJBY-XJKSGUPXSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@H]21 ZINC000738286353 599575267 /nfs/dbraw/zinc/57/52/67/599575267.db2.gz NAYHFLFXVGXJBY-XJKSGUPXSA-N -1 3 377.473 3.642 20 0 GHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1OCC(F)(F)F ZINC000737279447 599582775 /nfs/dbraw/zinc/58/27/75/599582775.db2.gz CSZYBHJSADLWKW-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1OCC(F)(F)F ZINC000737279447 599582778 /nfs/dbraw/zinc/58/27/78/599582778.db2.gz CSZYBHJSADLWKW-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM COc1ccc([C@H](C)CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000821777726 599587856 /nfs/dbraw/zinc/58/78/56/599587856.db2.gz LWMYPDVLYPOSKQ-LLVKDONJSA-N -1 3 392.385 3.895 20 0 GHADHM COc1ccc([C@H](C)CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000821777726 599587858 /nfs/dbraw/zinc/58/78/58/599587858.db2.gz LWMYPDVLYPOSKQ-LLVKDONJSA-N -1 3 392.385 3.895 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736164243 599607389 /nfs/dbraw/zinc/60/73/89/599607389.db2.gz VVGSSVIJUCJMIA-CQSZACIVSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737420539 599611986 /nfs/dbraw/zinc/61/19/86/599611986.db2.gz JPJAWCXZANUPKX-UONOGXRCSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737420539 599611988 /nfs/dbraw/zinc/61/19/88/599611988.db2.gz JPJAWCXZANUPKX-UONOGXRCSA-N -1 3 380.427 3.724 20 0 GHADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000819883978 599623545 /nfs/dbraw/zinc/62/35/45/599623545.db2.gz PQSUPYZOARMXQT-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000819883978 599623546 /nfs/dbraw/zinc/62/35/46/599623546.db2.gz PQSUPYZOARMXQT-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC000819907970 599629299 /nfs/dbraw/zinc/62/92/99/599629299.db2.gz VBCZWDVKHQUMOH-ZYHUDNBSSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC000819907970 599629300 /nfs/dbraw/zinc/62/93/00/599629300.db2.gz VBCZWDVKHQUMOH-ZYHUDNBSSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000819966089 599630180 /nfs/dbraw/zinc/63/01/80/599630180.db2.gz WDWLQSMLFNOFRM-BQYQJAHWSA-N -1 3 399.524 3.829 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000819966089 599630181 /nfs/dbraw/zinc/63/01/81/599630181.db2.gz WDWLQSMLFNOFRM-BQYQJAHWSA-N -1 3 399.524 3.829 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2sc(CC)cc2-c2nnn[n-]2)cc1 ZINC000821134031 599630366 /nfs/dbraw/zinc/63/03/66/599630366.db2.gz KZZAUQFCZIBELY-UHFFFAOYSA-N -1 3 385.493 3.851 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2sc(CC)cc2-c2nn[n-]n2)cc1 ZINC000821134031 599630367 /nfs/dbraw/zinc/63/03/67/599630367.db2.gz KZZAUQFCZIBELY-UHFFFAOYSA-N -1 3 385.493 3.851 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2SCCc3ccccc32)c1-c1nnn[n-]1 ZINC000821465128 599630983 /nfs/dbraw/zinc/63/09/83/599630983.db2.gz BQUWXRVZBBUNQB-OAHLLOKOSA-N -1 3 385.518 3.768 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2SCCc3ccccc32)c1-c1nn[n-]n1 ZINC000821465128 599630984 /nfs/dbraw/zinc/63/09/84/599630984.db2.gz BQUWXRVZBBUNQB-OAHLLOKOSA-N -1 3 385.518 3.768 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819866600 599633360 /nfs/dbraw/zinc/63/33/60/599633360.db2.gz OIWBNCIJDJTJPK-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819866600 599633361 /nfs/dbraw/zinc/63/33/61/599633361.db2.gz OIWBNCIJDJTJPK-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2occc2s1 ZINC000823303487 599633505 /nfs/dbraw/zinc/63/35/05/599633505.db2.gz KBNOFXKDNNDIHH-UHFFFAOYSA-N -1 3 379.323 3.946 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2occc2s1 ZINC000823303487 599633506 /nfs/dbraw/zinc/63/35/06/599633506.db2.gz KBNOFXKDNNDIHH-UHFFFAOYSA-N -1 3 379.323 3.946 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820300671 599634310 /nfs/dbraw/zinc/63/43/10/599634310.db2.gz TYVSCMCQDBTBQJ-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820300671 599634311 /nfs/dbraw/zinc/63/43/11/599634311.db2.gz TYVSCMCQDBTBQJ-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)sc2n1 ZINC000822195455 599634869 /nfs/dbraw/zinc/63/48/69/599634869.db2.gz SBSMUILFCOXOQF-LBPRGKRZSA-N -1 3 378.461 3.584 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)sc2n1 ZINC000822195455 599634870 /nfs/dbraw/zinc/63/48/70/599634870.db2.gz SBSMUILFCOXOQF-LBPRGKRZSA-N -1 3 378.461 3.584 20 0 GHADHM Cc1ccc(C)c(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C(C)C)c1 ZINC000822232201 599637827 /nfs/dbraw/zinc/63/78/27/599637827.db2.gz WSEYCEYLPQMCFJ-UHFFFAOYSA-N -1 3 389.463 3.949 20 0 GHADHM Cc1ccc(C)c(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C(C)C)c1 ZINC000822232201 599637828 /nfs/dbraw/zinc/63/78/28/599637828.db2.gz WSEYCEYLPQMCFJ-UHFFFAOYSA-N -1 3 389.463 3.949 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820967691 599655922 /nfs/dbraw/zinc/65/59/22/599655922.db2.gz TUUIUZAELRNQMP-HNAYVOBHSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820967691 599655923 /nfs/dbraw/zinc/65/59/23/599655923.db2.gz TUUIUZAELRNQMP-HNAYVOBHSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCC1 ZINC000823397517 599660258 /nfs/dbraw/zinc/66/02/58/599660258.db2.gz WUSAZNFEZRCVQU-UHFFFAOYSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000823397517 599660259 /nfs/dbraw/zinc/66/02/59/599660259.db2.gz WUSAZNFEZRCVQU-UHFFFAOYSA-N -1 3 392.415 3.575 20 0 GHADHM CC(C)CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820077077 599664507 /nfs/dbraw/zinc/66/45/07/599664507.db2.gz ZWMDQBWGLCZJDY-OAHLLOKOSA-N -1 3 394.479 3.731 20 0 GHADHM CC(C)CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820077077 599664508 /nfs/dbraw/zinc/66/45/08/599664508.db2.gz ZWMDQBWGLCZJDY-OAHLLOKOSA-N -1 3 394.479 3.731 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000819965447 599671147 /nfs/dbraw/zinc/67/11/47/599671147.db2.gz HFOWYQOBISVIDE-SREVYHEPSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000819965447 599671148 /nfs/dbraw/zinc/67/11/48/599671148.db2.gz HFOWYQOBISVIDE-SREVYHEPSA-N -1 3 387.440 3.516 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690491 599671948 /nfs/dbraw/zinc/67/19/48/599671948.db2.gz MYXDXVAWTRHULF-CRAIPNDOSA-N -1 3 392.459 3.925 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690491 599671949 /nfs/dbraw/zinc/67/19/49/599671949.db2.gz MYXDXVAWTRHULF-CRAIPNDOSA-N -1 3 392.459 3.925 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233998 599674270 /nfs/dbraw/zinc/67/42/70/599674270.db2.gz ZLCSJKAYOKHETN-IBGZPJMESA-N -1 3 394.454 3.751 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233998 599674271 /nfs/dbraw/zinc/67/42/71/599674271.db2.gz ZLCSJKAYOKHETN-IBGZPJMESA-N -1 3 394.454 3.751 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)c1ccccc1 ZINC000820920281 599675872 /nfs/dbraw/zinc/67/58/72/599675872.db2.gz OUCWTNFFYTVAFL-SFHVURJKSA-N -1 3 396.470 3.561 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)c1ccccc1 ZINC000820920281 599675873 /nfs/dbraw/zinc/67/58/73/599675873.db2.gz OUCWTNFFYTVAFL-SFHVURJKSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820220401 599679395 /nfs/dbraw/zinc/67/93/95/599679395.db2.gz TYLVOHCBZXAGQG-AWEZNQCLSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820220401 599679396 /nfs/dbraw/zinc/67/93/96/599679396.db2.gz TYLVOHCBZXAGQG-AWEZNQCLSA-N -1 3 394.454 3.516 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820077057 599693446 /nfs/dbraw/zinc/69/34/46/599693446.db2.gz ZHXXHSPFZMUFQW-UHFFFAOYSA-N -1 3 394.479 3.956 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820077057 599693447 /nfs/dbraw/zinc/69/34/47/599693447.db2.gz ZHXXHSPFZMUFQW-UHFFFAOYSA-N -1 3 394.479 3.956 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736722758 599717844 /nfs/dbraw/zinc/71/78/44/599717844.db2.gz DOGHLOVCTADQEP-XJKSGUPXSA-N -1 3 386.427 3.873 20 0 GHADHM CC(C)N(Cc1occc1C(=O)[O-])C[C@@H](O)COc1cccc2ccccc21 ZINC000736474298 599814615 /nfs/dbraw/zinc/81/46/15/599814615.db2.gz JPLYNMMHMXMIKX-QGZVFWFLSA-N -1 3 383.444 3.781 20 0 GHADHM CC(C)N(Cc1ccoc1C(=O)[O-])C[C@@H](O)COc1cccc2ccccc21 ZINC000736473652 599814628 /nfs/dbraw/zinc/81/46/28/599814628.db2.gz BTIDRACIEAOINL-GOSISDBHSA-N -1 3 383.444 3.781 20 0 GHADHM O=C([O-])c1coc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000740270037 599846227 /nfs/dbraw/zinc/84/62/27/599846227.db2.gz VJNRMZRKXFBRPZ-UHFFFAOYSA-N -1 3 382.382 3.705 20 0 GHADHM Cc1nc(C)n([C@@H]2CCCN(Cc3c(C(=O)[O-])sc4cccc(F)c43)C2)n1 ZINC000738350236 599976337 /nfs/dbraw/zinc/97/63/37/599976337.db2.gz SSHFNPMHMRJMSR-CYBMUJFWSA-N -1 3 388.468 3.784 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000826253125 607410877 /nfs/dbraw/zinc/41/08/77/607410877.db2.gz GASQFWOMOKMFLG-BQYQJAHWSA-N -1 3 383.477 3.686 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000826253125 607410878 /nfs/dbraw/zinc/41/08/78/607410878.db2.gz GASQFWOMOKMFLG-BQYQJAHWSA-N -1 3 383.477 3.686 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737369389 600065660 /nfs/dbraw/zinc/06/56/60/600065660.db2.gz HCIDDFKCNIMDOC-UHFFFAOYSA-N -1 3 388.895 3.561 20 0 GHADHM Cc1cccc(CN(C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822303920 607424719 /nfs/dbraw/zinc/42/47/19/607424719.db2.gz OACLBIMXPUZRLU-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1cccc(CN(C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822303920 607424720 /nfs/dbraw/zinc/42/47/20/607424720.db2.gz OACLBIMXPUZRLU-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cc(F)ccc2s1 ZINC000826428355 607424776 /nfs/dbraw/zinc/42/47/76/607424776.db2.gz ZLTZIBLBFJSFHY-UHFFFAOYSA-N -1 3 379.420 3.640 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cc(F)ccc2s1 ZINC000826428355 607424777 /nfs/dbraw/zinc/42/47/77/607424777.db2.gz ZLTZIBLBFJSFHY-UHFFFAOYSA-N -1 3 379.420 3.640 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826286328 607445547 /nfs/dbraw/zinc/44/55/47/607445547.db2.gz YVNATLJJYSVMPM-PMACEKPBSA-N -1 3 392.459 3.695 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826286328 607445548 /nfs/dbraw/zinc/44/55/48/607445548.db2.gz YVNATLJJYSVMPM-PMACEKPBSA-N -1 3 392.459 3.695 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737370387 600516872 /nfs/dbraw/zinc/51/68/72/600516872.db2.gz PXBUVTFHQCXQSN-UHFFFAOYSA-N -1 3 375.856 3.634 20 0 GHADHM CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736490659 600522270 /nfs/dbraw/zinc/52/22/70/600522270.db2.gz ANDDVMFUWGLKTP-JKSUJKDBSA-N -1 3 384.476 3.528 20 0 GHADHM CSc1ccc2cc(CN(CC(=O)[O-])C3CCOCC3)c(Cl)nc2c1 ZINC000832785012 600856960 /nfs/dbraw/zinc/85/69/60/600856960.db2.gz FDCXDAJIBHKZPT-UHFFFAOYSA-N -1 3 380.897 3.676 20 0 GHADHM O=C([O-])[C@H]1CCC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000833182037 600940918 /nfs/dbraw/zinc/94/09/18/600940918.db2.gz SBOXSENBUKDGRZ-ROUUACIJSA-N -1 3 392.927 3.655 20 0 GHADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000833182038 600941052 /nfs/dbraw/zinc/94/10/52/600941052.db2.gz SBOXSENBUKDGRZ-ZWKOTPCHSA-N -1 3 392.927 3.655 20 0 GHADHM Cc1cccc([C@H]2CCCN2CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1C ZINC000738698250 600966367 /nfs/dbraw/zinc/96/63/67/600966367.db2.gz IPQONWSSDKVEQW-HXUWFJFHSA-N -1 3 381.476 3.847 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000820206408 607499112 /nfs/dbraw/zinc/49/91/12/607499112.db2.gz JLOHKTQEEXWSMV-UHFFFAOYSA-N -1 3 382.371 3.718 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000820206408 607499113 /nfs/dbraw/zinc/49/91/13/607499113.db2.gz JLOHKTQEEXWSMV-UHFFFAOYSA-N -1 3 382.371 3.718 20 0 GHADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830717988 601398735 /nfs/dbraw/zinc/39/87/35/601398735.db2.gz JCBYJRNJDWTMRI-LAUBAEHRSA-N -1 3 379.460 3.792 20 0 GHADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(Cl)cc1Cl ZINC000833167704 601499363 /nfs/dbraw/zinc/49/93/63/601499363.db2.gz PBIROPSRNCTXIH-IAQYHMDHSA-N -1 3 384.238 3.522 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000832932518 601649495 /nfs/dbraw/zinc/64/94/95/601649495.db2.gz NALRQRRRCTZSBD-UHFFFAOYSA-N -1 3 386.517 3.592 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000826693601 601652479 /nfs/dbraw/zinc/65/24/79/601652479.db2.gz IOZVPNYAQTYQLX-ONGXBYRLSA-N -1 3 386.467 3.691 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000829170097 601656834 /nfs/dbraw/zinc/65/68/34/601656834.db2.gz KEMGMEUXACKLPT-JNAXZKDPSA-N -1 3 386.517 3.636 20 0 GHADHM COc1ccc(CSc2nnc(-c3sccc3C)o2)cc1-c1nnn[n-]1 ZINC000826207777 607545833 /nfs/dbraw/zinc/54/58/33/607545833.db2.gz CUOZKBOAHLMIJY-UHFFFAOYSA-N -1 3 386.462 3.588 20 0 GHADHM COc1ccc(CSc2nnc(-c3sccc3C)o2)cc1-c1nn[n-]n1 ZINC000826207777 607545835 /nfs/dbraw/zinc/54/58/35/607545835.db2.gz CUOZKBOAHLMIJY-UHFFFAOYSA-N -1 3 386.462 3.588 20 0 GHADHM COc1ccc(CNc2nc(-c3ccc(F)cc3)cs2)cc1-c1nnn[n-]1 ZINC000826204584 607561811 /nfs/dbraw/zinc/56/18/11/607561811.db2.gz QRPKKZYJQKQKKW-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM COc1ccc(CNc2nc(-c3ccc(F)cc3)cs2)cc1-c1nn[n-]n1 ZINC000826204584 607561813 /nfs/dbraw/zinc/56/18/13/607561813.db2.gz QRPKKZYJQKQKKW-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000827914779 602401097 /nfs/dbraw/zinc/40/10/97/602401097.db2.gz FTJPQZNQELWHBK-AEFFLSMTSA-N -1 3 398.528 3.598 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830838901 603174181 /nfs/dbraw/zinc/17/41/81/603174181.db2.gz AYAMKVVNSDJKOL-VHRNVKJDSA-N -1 3 392.862 3.736 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826278028 607619050 /nfs/dbraw/zinc/61/90/50/607619050.db2.gz OYHIUSXSAZWPCB-UHFFFAOYSA-N -1 3 384.350 3.564 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826278028 607619052 /nfs/dbraw/zinc/61/90/52/607619052.db2.gz OYHIUSXSAZWPCB-UHFFFAOYSA-N -1 3 384.350 3.564 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000826244487 607653397 /nfs/dbraw/zinc/65/33/97/607653397.db2.gz UYQFEXDGUVNUIF-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000826244487 607653398 /nfs/dbraw/zinc/65/33/98/607653398.db2.gz UYQFEXDGUVNUIF-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000826251285 607667171 /nfs/dbraw/zinc/66/71/71/607667171.db2.gz KUVZIXKKIJTQKN-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000826251285 607667172 /nfs/dbraw/zinc/66/71/72/607667172.db2.gz KUVZIXKKIJTQKN-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccsc1CCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826316736 607669190 /nfs/dbraw/zinc/66/91/90/607669190.db2.gz XLRZFBRISQOMTO-UHFFFAOYSA-N -1 3 385.493 3.985 20 0 GHADHM Cc1ccsc1CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826316736 607669191 /nfs/dbraw/zinc/66/91/91/607669191.db2.gz XLRZFBRISQOMTO-UHFFFAOYSA-N -1 3 385.493 3.985 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825159766 607674898 /nfs/dbraw/zinc/67/48/98/607674898.db2.gz SXFRIDYJGGTDPB-UYAOXDASSA-N -1 3 375.476 3.974 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825159766 607674900 /nfs/dbraw/zinc/67/49/00/607674900.db2.gz SXFRIDYJGGTDPB-UYAOXDASSA-N -1 3 375.476 3.974 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000826247195 607675553 /nfs/dbraw/zinc/67/55/53/607675553.db2.gz WLCSDNNIMIKYSA-QGZVFWFLSA-N -1 3 399.401 3.584 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000826247195 607675555 /nfs/dbraw/zinc/67/55/55/607675555.db2.gz WLCSDNNIMIKYSA-QGZVFWFLSA-N -1 3 399.401 3.584 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c(C)s1 ZINC000826323373 607687522 /nfs/dbraw/zinc/68/75/22/607687522.db2.gz BGHYRCXKRGDZDA-UHFFFAOYSA-N -1 3 377.429 3.826 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c(C)s1 ZINC000826323373 607687524 /nfs/dbraw/zinc/68/75/24/607687524.db2.gz BGHYRCXKRGDZDA-UHFFFAOYSA-N -1 3 377.429 3.826 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000826248948 607688098 /nfs/dbraw/zinc/68/80/98/607688098.db2.gz DSWCWQHODKHTNH-UHFFFAOYSA-N -1 3 396.520 3.652 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000826248948 607688099 /nfs/dbraw/zinc/68/80/99/607688099.db2.gz DSWCWQHODKHTNH-UHFFFAOYSA-N -1 3 396.520 3.652 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457319 607691054 /nfs/dbraw/zinc/69/10/54/607691054.db2.gz WEKMYBJFAJYMED-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457319 607691055 /nfs/dbraw/zinc/69/10/55/607691055.db2.gz WEKMYBJFAJYMED-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280131 607692685 /nfs/dbraw/zinc/69/26/85/607692685.db2.gz DIMNZKOCYCRPNY-UHFFFAOYSA-N -1 3 377.492 3.656 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280131 607692686 /nfs/dbraw/zinc/69/26/86/607692686.db2.gz DIMNZKOCYCRPNY-UHFFFAOYSA-N -1 3 377.492 3.656 20 0 GHADHM C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1(C(=O)[O-])CCCC1 ZINC000830879728 604465224 /nfs/dbraw/zinc/46/52/24/604465224.db2.gz XIYPHJPFYMTFKK-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1(C(=O)[O-])CCCC1 ZINC000830879728 604465227 /nfs/dbraw/zinc/46/52/27/604465227.db2.gz XIYPHJPFYMTFKK-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1(C(=O)[O-])CCCC1 ZINC000830879728 604465229 /nfs/dbraw/zinc/46/52/29/604465229.db2.gz XIYPHJPFYMTFKK-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1OC(F)F ZINC000820802550 604465400 /nfs/dbraw/zinc/46/54/00/604465400.db2.gz IAEAFFHCAUTIED-INIZCTEOSA-N -1 3 377.387 3.698 20 0 GHADHM O=C([O-])C1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCCCC1 ZINC000833765366 604481813 /nfs/dbraw/zinc/48/18/13/604481813.db2.gz JXLRHZALQFPOPL-UHFFFAOYSA-N -1 3 387.505 3.592 20 0 GHADHM COc1ccc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000833731698 604526670 /nfs/dbraw/zinc/52/66/70/604526670.db2.gz CLYJXZFXJDYZPB-HNAYVOBHSA-N -1 3 385.460 3.893 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC[C@H]1c1ccccc1 ZINC000825202393 607697846 /nfs/dbraw/zinc/69/78/46/607697846.db2.gz KBPJRHXIUYFVEG-OXJNMPFZSA-N -1 3 375.476 3.831 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC[C@H]1c1ccccc1 ZINC000825202393 607697847 /nfs/dbraw/zinc/69/78/47/607697847.db2.gz KBPJRHXIUYFVEG-OXJNMPFZSA-N -1 3 375.476 3.831 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2 ZINC000833771850 604651035 /nfs/dbraw/zinc/65/10/35/604651035.db2.gz RWRGJXUOFSKECB-HXUWFJFHSA-N -1 3 388.471 3.621 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000826249931 607710938 /nfs/dbraw/zinc/71/09/38/607710938.db2.gz BTXCPOSYBVPHMY-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000826249931 607710939 /nfs/dbraw/zinc/71/09/39/607710939.db2.gz BTXCPOSYBVPHMY-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1ccc(F)cc1F ZINC000824255473 607711210 /nfs/dbraw/zinc/71/12/10/607711210.db2.gz KXRNXRVMHSETDS-UHFFFAOYSA-N -1 3 399.445 3.762 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1ccc(F)cc1F ZINC000824255473 607711211 /nfs/dbraw/zinc/71/12/11/607711211.db2.gz KXRNXRVMHSETDS-UHFFFAOYSA-N -1 3 399.445 3.762 20 0 GHADHM CC[C@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825081728 607715949 /nfs/dbraw/zinc/71/59/49/607715949.db2.gz MYMGVXNLGJCQNJ-CQSZACIVSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825081728 607715952 /nfs/dbraw/zinc/71/59/52/607715952.db2.gz MYMGVXNLGJCQNJ-CQSZACIVSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@@H](OC[C@@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000584726009 604848712 /nfs/dbraw/zinc/84/87/12/604848712.db2.gz WAUWSBANUHFOSV-VLIAUNLRSA-N -1 3 389.879 3.535 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000827687447 605008203 /nfs/dbraw/zinc/00/82/03/605008203.db2.gz MGYLPCZWZZSJKS-RDTXWAMCSA-N -1 3 385.464 3.583 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000826351350 607730905 /nfs/dbraw/zinc/73/09/05/607730905.db2.gz JCLUOGTWWKZACW-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000826351350 607730907 /nfs/dbraw/zinc/73/09/07/607730907.db2.gz JCLUOGTWWKZACW-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000825333316 607742695 /nfs/dbraw/zinc/74/26/95/607742695.db2.gz VUBAGWBUOFVBMX-UHFFFAOYSA-N -1 3 386.406 3.538 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1F ZINC000826282543 607769568 /nfs/dbraw/zinc/76/95/68/607769568.db2.gz UBKMDNFJFGOOSA-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1F ZINC000826282543 607769569 /nfs/dbraw/zinc/76/95/69/607769569.db2.gz UBKMDNFJFGOOSA-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1F ZINC000826296519 607771418 /nfs/dbraw/zinc/77/14/18/607771418.db2.gz ZYKAIGSSIJKFJH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1F ZINC000826296519 607771419 /nfs/dbraw/zinc/77/14/19/607771419.db2.gz ZYKAIGSSIJKFJH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM c1cc(-c2nc3ccccc3s2)oc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823802026 606033248 /nfs/dbraw/zinc/03/32/48/606033248.db2.gz FRCWBXKKSQGLAN-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1cc(-c2nc3ccccc3s2)oc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823802026 606033253 /nfs/dbraw/zinc/03/32/53/606033253.db2.gz FRCWBXKKSQGLAN-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821430640 606033478 /nfs/dbraw/zinc/03/34/78/606033478.db2.gz AZGJFMPURFBHPD-OAHLLOKOSA-N -1 3 385.493 3.844 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821430640 606033484 /nfs/dbraw/zinc/03/34/84/606033484.db2.gz AZGJFMPURFBHPD-OAHLLOKOSA-N -1 3 385.493 3.844 20 0 GHADHM Cc1cnc([C@@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)s1 ZINC000822388760 606103759 /nfs/dbraw/zinc/10/37/59/606103759.db2.gz AEHHRHQRICCUJP-GFCCVEGCSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1cnc([C@@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)s1 ZINC000822388760 606103760 /nfs/dbraw/zinc/10/37/60/606103760.db2.gz AEHHRHQRICCUJP-GFCCVEGCSA-N -1 3 390.476 3.914 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C(C)(C)C1 ZINC000820743454 606114949 /nfs/dbraw/zinc/11/49/49/606114949.db2.gz UNKLAMPSRJDXMV-GFCCVEGCSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C(C)(C)C1 ZINC000820743454 606114951 /nfs/dbraw/zinc/11/49/51/606114951.db2.gz UNKLAMPSRJDXMV-GFCCVEGCSA-N -1 3 397.508 3.566 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3sccc3-c3nnn[n-]3)c2)cc1 ZINC000821731735 606125622 /nfs/dbraw/zinc/12/56/22/606125622.db2.gz GCZDSGDAZJENLH-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3sccc3-c3nn[n-]n3)c2)cc1 ZINC000821731735 606125624 /nfs/dbraw/zinc/12/56/24/606125624.db2.gz GCZDSGDAZJENLH-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821043379 606134527 /nfs/dbraw/zinc/13/45/27/606134527.db2.gz OKTLPSJDKZHNBS-HHNLSAEISA-N -1 3 377.448 3.620 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821043379 606134528 /nfs/dbraw/zinc/13/45/28/606134528.db2.gz OKTLPSJDKZHNBS-HHNLSAEISA-N -1 3 377.448 3.620 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CC12CCCC2 ZINC000822211523 606148410 /nfs/dbraw/zinc/14/84/10/606148410.db2.gz CNWZTFKCOPAZIF-INIZCTEOSA-N -1 3 390.447 3.881 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@H]1CC12CCCC2 ZINC000823350366 606148696 /nfs/dbraw/zinc/14/86/96/606148696.db2.gz KMYHDWXSDRCJJV-MRXNPFEDSA-N -1 3 376.420 3.573 20 0 GHADHM CCC(CC)N(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000820893536 606152989 /nfs/dbraw/zinc/15/29/89/606152989.db2.gz QHDILSKXCNJCDE-UHFFFAOYSA-N -1 3 380.399 3.653 20 0 GHADHM CCC(CC)N(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000820893536 606152991 /nfs/dbraw/zinc/15/29/91/606152991.db2.gz QHDILSKXCNJCDE-UHFFFAOYSA-N -1 3 380.399 3.653 20 0 GHADHM CCc1cnc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)s1 ZINC000821497010 606164166 /nfs/dbraw/zinc/16/41/66/606164166.db2.gz OEEFZBZTOTVPPZ-UHFFFAOYSA-N -1 3 383.456 3.518 20 0 GHADHM CCc1cnc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)s1 ZINC000821497010 606164168 /nfs/dbraw/zinc/16/41/68/606164168.db2.gz OEEFZBZTOTVPPZ-UHFFFAOYSA-N -1 3 383.456 3.518 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822945706 606174947 /nfs/dbraw/zinc/17/49/47/606174947.db2.gz OFDWSGQFGRLRRJ-ONEGZZNKSA-N -1 3 383.452 3.988 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822945706 606174948 /nfs/dbraw/zinc/17/49/48/606174948.db2.gz OFDWSGQFGRLRRJ-ONEGZZNKSA-N -1 3 383.452 3.988 20 0 GHADHM C[C@H](OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820512267 606181876 /nfs/dbraw/zinc/18/18/76/606181876.db2.gz INWKKEZBQKCLKE-ZFWWWQNUSA-N -1 3 396.472 3.600 20 0 GHADHM C[C@H](OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820512267 606181879 /nfs/dbraw/zinc/18/18/79/606181879.db2.gz INWKKEZBQKCLKE-ZFWWWQNUSA-N -1 3 396.472 3.600 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCSc2ccc(Cl)cc21 ZINC000823087063 606193804 /nfs/dbraw/zinc/19/38/04/606193804.db2.gz DZMJECBDSDHOFL-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCSc2ccc(Cl)cc21 ZINC000823087063 606193805 /nfs/dbraw/zinc/19/38/05/606193805.db2.gz DZMJECBDSDHOFL-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380159 606195161 /nfs/dbraw/zinc/19/51/61/606195161.db2.gz MFFPHUOTIWSCNJ-NSHDSACASA-N -1 3 389.419 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380159 606195163 /nfs/dbraw/zinc/19/51/63/606195163.db2.gz MFFPHUOTIWSCNJ-NSHDSACASA-N -1 3 389.419 3.768 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820726869 606196646 /nfs/dbraw/zinc/19/66/46/606196646.db2.gz CLFOEIQJSVKTIP-DIFFPNOSSA-N -1 3 382.468 3.616 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820726869 606196648 /nfs/dbraw/zinc/19/66/48/606196648.db2.gz CLFOEIQJSVKTIP-DIFFPNOSSA-N -1 3 382.468 3.616 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)sn1 ZINC000822209482 606196908 /nfs/dbraw/zinc/19/69/08/606196908.db2.gz KUCHJBXSLLBJNE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)sn1 ZINC000822209482 606196911 /nfs/dbraw/zinc/19/69/11/606196911.db2.gz KUCHJBXSLLBJNE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820612248 606249309 /nfs/dbraw/zinc/24/93/09/606249309.db2.gz CJSZOZVUQXWMMK-OAQYLSRUSA-N -1 3 376.464 3.743 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820612248 606249310 /nfs/dbraw/zinc/24/93/10/606249310.db2.gz CJSZOZVUQXWMMK-OAQYLSRUSA-N -1 3 376.464 3.743 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000819947008 606269731 /nfs/dbraw/zinc/26/97/31/606269731.db2.gz ZDZVDHIVHIYPKR-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000819947008 606269733 /nfs/dbraw/zinc/26/97/33/606269733.db2.gz ZDZVDHIVHIYPKR-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820293769 606273453 /nfs/dbraw/zinc/27/34/53/606273453.db2.gz NFIIKSQNGOYSEL-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820293769 606273454 /nfs/dbraw/zinc/27/34/54/606273454.db2.gz NFIIKSQNGOYSEL-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM CSCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821961165 606277200 /nfs/dbraw/zinc/27/72/00/606277200.db2.gz HGPWYNUWWVYVAR-UHFFFAOYSA-N -1 3 385.518 3.501 20 0 GHADHM CSCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821961165 606277202 /nfs/dbraw/zinc/27/72/02/606277202.db2.gz HGPWYNUWWVYVAR-UHFFFAOYSA-N -1 3 385.518 3.501 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820868590 606300466 /nfs/dbraw/zinc/30/04/66/606300466.db2.gz AWJKRLFSXMKWSE-AWEZNQCLSA-N -1 3 380.452 3.562 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820868590 606300468 /nfs/dbraw/zinc/30/04/68/606300468.db2.gz AWJKRLFSXMKWSE-AWEZNQCLSA-N -1 3 380.452 3.562 20 0 GHADHM Cc1ccc(C)c(CS[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822232215 606312999 /nfs/dbraw/zinc/31/29/99/606312999.db2.gz XLDBKRVPXKDLDC-HNNXBMFYSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1ccc(C)c(CS[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822232215 606313000 /nfs/dbraw/zinc/31/30/00/606313000.db2.gz XLDBKRVPXKDLDC-HNNXBMFYSA-N -1 3 385.518 3.584 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1OC(F)F ZINC000820555028 606328679 /nfs/dbraw/zinc/32/86/79/606328679.db2.gz DYVMQNYQJKWLBN-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1OC(F)F ZINC000820555028 606328681 /nfs/dbraw/zinc/32/86/81/606328681.db2.gz DYVMQNYQJKWLBN-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](CC)Oc1ccccc1F ZINC000821099597 606335509 /nfs/dbraw/zinc/33/55/09/606335509.db2.gz KKQMBYZSVMGYAD-GOSISDBHSA-N -1 3 397.454 3.602 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](CC)Oc1ccccc1F ZINC000821099597 606335511 /nfs/dbraw/zinc/33/55/11/606335511.db2.gz KKQMBYZSVMGYAD-GOSISDBHSA-N -1 3 397.454 3.602 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1ccccn1 ZINC000821574589 606336243 /nfs/dbraw/zinc/33/62/43/606336243.db2.gz NKJLUTYUDGPMPM-UHFFFAOYSA-N -1 3 388.456 3.690 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1ccccn1 ZINC000821574589 606336245 /nfs/dbraw/zinc/33/62/45/606336245.db2.gz NKJLUTYUDGPMPM-UHFFFAOYSA-N -1 3 388.456 3.690 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820716534 606347230 /nfs/dbraw/zinc/34/72/30/606347230.db2.gz JDYNCGYHFVPLPT-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820716534 606347232 /nfs/dbraw/zinc/34/72/32/606347232.db2.gz JDYNCGYHFVPLPT-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000820380573 606350399 /nfs/dbraw/zinc/35/03/99/606350399.db2.gz WMTIXKZVECXHQE-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000820380573 606350401 /nfs/dbraw/zinc/35/04/01/606350401.db2.gz WMTIXKZVECXHQE-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822210571 606357103 /nfs/dbraw/zinc/35/71/03/606357103.db2.gz IFWXFZYNJGHZDX-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822210571 606357105 /nfs/dbraw/zinc/35/71/05/606357105.db2.gz IFWXFZYNJGHZDX-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM Cc1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cnc2ccccc12 ZINC000822015138 606361465 /nfs/dbraw/zinc/36/14/65/606361465.db2.gz FABBVXZIVHGECD-UHFFFAOYSA-N -1 3 384.443 3.528 20 0 GHADHM Cc1c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cnc2ccccc12 ZINC000822015138 606361467 /nfs/dbraw/zinc/36/14/67/606361467.db2.gz FABBVXZIVHGECD-UHFFFAOYSA-N -1 3 384.443 3.528 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821765756 606362924 /nfs/dbraw/zinc/36/29/24/606362924.db2.gz JNPDFNXMLUHHLD-UHFFFAOYSA-N -1 3 377.360 3.513 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821765756 606362925 /nfs/dbraw/zinc/36/29/25/606362925.db2.gz JNPDFNXMLUHHLD-UHFFFAOYSA-N -1 3 377.360 3.513 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccc(-c3nnn[n-]3)s2)nc2cc(Cl)ccc12 ZINC000823656980 606389815 /nfs/dbraw/zinc/38/98/15/606389815.db2.gz LCQIQFSVHSQKPH-POHAHGRESA-N -1 3 391.243 3.555 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1nccs1 ZINC000822184586 606396986 /nfs/dbraw/zinc/39/69/86/606396986.db2.gz XIDZBSRAJVCJLO-ZDUSSCGKSA-N -1 3 394.460 3.649 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1nccs1 ZINC000822184586 606396988 /nfs/dbraw/zinc/39/69/88/606396988.db2.gz XIDZBSRAJVCJLO-ZDUSSCGKSA-N -1 3 394.460 3.649 20 0 GHADHM C[C@H]1CCc2sc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)cc2C1 ZINC000820733279 606411832 /nfs/dbraw/zinc/41/18/32/606411832.db2.gz DOKNYIRMFHRKOO-JTQLQIEISA-N -1 3 387.896 3.983 20 0 GHADHM C[C@H]1CCc2sc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)cc2C1 ZINC000820733279 606411833 /nfs/dbraw/zinc/41/18/33/606411833.db2.gz DOKNYIRMFHRKOO-JTQLQIEISA-N -1 3 387.896 3.983 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1OCC1CCOCC1 ZINC000822258723 606422028 /nfs/dbraw/zinc/42/20/28/606422028.db2.gz BCRMZOWBKHGTKY-UHFFFAOYSA-N -1 3 385.493 3.654 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1F ZINC000822191763 606438795 /nfs/dbraw/zinc/43/87/95/606438795.db2.gz PYQVLBYINIMDAE-GFCCVEGCSA-N -1 3 385.447 3.753 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1F ZINC000822191763 606438797 /nfs/dbraw/zinc/43/87/97/606438797.db2.gz PYQVLBYINIMDAE-GFCCVEGCSA-N -1 3 385.447 3.753 20 0 GHADHM CNC(=O)c1cccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000821636226 606449180 /nfs/dbraw/zinc/44/91/80/606449180.db2.gz KFBCFTZLWVMWCP-UHFFFAOYSA-N -1 3 398.470 3.814 20 0 GHADHM CNC(=O)c1cccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000821636226 606449181 /nfs/dbraw/zinc/44/91/81/606449181.db2.gz KFBCFTZLWVMWCP-UHFFFAOYSA-N -1 3 398.470 3.814 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822941106 606459487 /nfs/dbraw/zinc/45/94/87/606459487.db2.gz PWZPLXGCFYJVON-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822941106 606459489 /nfs/dbraw/zinc/45/94/89/606459489.db2.gz PWZPLXGCFYJVON-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(Oc1ccc(Br)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823450201 606461925 /nfs/dbraw/zinc/46/19/25/606461925.db2.gz JLQMNWUMVWMFBV-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM O=C(Oc1ccc(Br)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823450201 606461927 /nfs/dbraw/zinc/46/19/27/606461927.db2.gz JLQMNWUMVWMFBV-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000820506887 606462832 /nfs/dbraw/zinc/46/28/32/606462832.db2.gz CXMQJUVQPDPFMY-MRVPVSSYSA-N -1 3 390.375 3.591 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2n1C(F)F ZINC000820506887 606462835 /nfs/dbraw/zinc/46/28/35/606462835.db2.gz CXMQJUVQPDPFMY-MRVPVSSYSA-N -1 3 390.375 3.591 20 0 GHADHM O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376095 606479088 /nfs/dbraw/zinc/47/90/88/606479088.db2.gz WVLLMVHNWFGYJH-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376095 606479090 /nfs/dbraw/zinc/47/90/90/606479090.db2.gz WVLLMVHNWFGYJH-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1ccccc1)Cc1ccccc1 ZINC000823465913 606479623 /nfs/dbraw/zinc/47/96/23/606479623.db2.gz CDSUVEMZQDKSAT-UHFFFAOYSA-N -1 3 389.484 3.813 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1ccccc1)Cc1ccccc1 ZINC000823465913 606479625 /nfs/dbraw/zinc/47/96/25/606479625.db2.gz CDSUVEMZQDKSAT-UHFFFAOYSA-N -1 3 389.484 3.813 20 0 GHADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(Cl)cccc1Cl ZINC000820268350 606502090 /nfs/dbraw/zinc/50/20/90/606502090.db2.gz ABCGMXXRNWVCPF-MRVPVSSYSA-N -1 3 382.276 3.769 20 0 GHADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(Cl)cccc1Cl ZINC000820268350 606502092 /nfs/dbraw/zinc/50/20/92/606502092.db2.gz ABCGMXXRNWVCPF-MRVPVSSYSA-N -1 3 382.276 3.769 20 0 GHADHM CCCCc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821077557 606513786 /nfs/dbraw/zinc/51/37/86/606513786.db2.gz LLWWYSOXRKQQTK-UHFFFAOYSA-N -1 3 389.463 3.896 20 0 GHADHM CCCCc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821077557 606513789 /nfs/dbraw/zinc/51/37/89/606513789.db2.gz LLWWYSOXRKQQTK-UHFFFAOYSA-N -1 3 389.463 3.896 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000820334006 606516074 /nfs/dbraw/zinc/51/60/74/606516074.db2.gz IVKBRKCGWPKLPX-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)ccc(F)c1Cl ZINC000820334006 606516075 /nfs/dbraw/zinc/51/60/75/606516075.db2.gz IVKBRKCGWPKLPX-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823472725 606522004 /nfs/dbraw/zinc/52/20/04/606522004.db2.gz WQOQSEPKQQDZPB-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823472725 606522005 /nfs/dbraw/zinc/52/20/05/606522005.db2.gz WQOQSEPKQQDZPB-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822414424 606531168 /nfs/dbraw/zinc/53/11/68/606531168.db2.gz FGTCHCYBSPJZAC-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822414424 606531169 /nfs/dbraw/zinc/53/11/69/606531169.db2.gz FGTCHCYBSPJZAC-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM CC(C)CCOc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076871 606543660 /nfs/dbraw/zinc/54/36/60/606543660.db2.gz VPRYJAFPFQPJQN-INIZCTEOSA-N -1 3 393.491 3.712 20 0 GHADHM CC(C)CCOc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076871 606543661 /nfs/dbraw/zinc/54/36/61/606543661.db2.gz VPRYJAFPFQPJQN-INIZCTEOSA-N -1 3 393.491 3.712 20 0 GHADHM Cc1c2ccccc2oc1[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822021347 606560767 /nfs/dbraw/zinc/56/07/67/606560767.db2.gz XODQUOFIKQWWRO-HXUWFJFHSA-N -1 3 389.459 3.977 20 0 GHADHM Cc1c2ccccc2oc1[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822021347 606560768 /nfs/dbraw/zinc/56/07/68/606560768.db2.gz XODQUOFIKQWWRO-HXUWFJFHSA-N -1 3 389.459 3.977 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823421519 606561895 /nfs/dbraw/zinc/56/18/95/606561895.db2.gz BBJICYYSWAIBIG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823421519 606561897 /nfs/dbraw/zinc/56/18/97/606561897.db2.gz BBJICYYSWAIBIG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1Br ZINC000820508078 606569891 /nfs/dbraw/zinc/56/98/91/606569891.db2.gz MASASGCTLLXBPL-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1Br ZINC000820508078 606569893 /nfs/dbraw/zinc/56/98/93/606569893.db2.gz MASASGCTLLXBPL-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822220098 606575241 /nfs/dbraw/zinc/57/52/41/606575241.db2.gz CZKZORONYZTNAR-YPMHNXCESA-N -1 3 382.390 3.665 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822220098 606575242 /nfs/dbraw/zinc/57/52/42/606575242.db2.gz CZKZORONYZTNAR-YPMHNXCESA-N -1 3 382.390 3.665 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820901333 606592656 /nfs/dbraw/zinc/59/26/56/606592656.db2.gz BGBHXERTXRGAHD-KRWDZBQOSA-N -1 3 396.539 3.558 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820901333 606592658 /nfs/dbraw/zinc/59/26/58/606592658.db2.gz BGBHXERTXRGAHD-KRWDZBQOSA-N -1 3 396.539 3.558 20 0 GHADHM Cc1cccc([C@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)(C)C)c1 ZINC000822289443 606600854 /nfs/dbraw/zinc/60/08/54/606600854.db2.gz XDNCRMCLPMSQLD-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1cccc([C@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)(C)C)c1 ZINC000822289443 606600856 /nfs/dbraw/zinc/60/08/56/606600856.db2.gz XDNCRMCLPMSQLD-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819765059 606601747 /nfs/dbraw/zinc/60/17/47/606601747.db2.gz MQAORHDIIQOWCR-YLSINNKHSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819765059 606601748 /nfs/dbraw/zinc/60/17/48/606601748.db2.gz MQAORHDIIQOWCR-YLSINNKHSA-N -1 3 399.401 3.749 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822983122 606604454 /nfs/dbraw/zinc/60/44/54/606604454.db2.gz KRLZPVJZWOYQBS-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822983122 606604456 /nfs/dbraw/zinc/60/44/56/606604456.db2.gz KRLZPVJZWOYQBS-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000821118273 606606373 /nfs/dbraw/zinc/60/63/73/606606373.db2.gz KFGVWPBTAOIMPZ-CQSZACIVSA-N -1 3 394.479 3.830 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820676917 606618912 /nfs/dbraw/zinc/61/89/12/606618912.db2.gz PFNBMAPEEVLRDN-HLVNSREUSA-N -1 3 380.477 3.599 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820676917 606618913 /nfs/dbraw/zinc/61/89/13/606618913.db2.gz PFNBMAPEEVLRDN-HLVNSREUSA-N -1 3 380.477 3.599 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820675084 606619014 /nfs/dbraw/zinc/61/90/14/606619014.db2.gz HRJOGSHKYGQGHL-ZMTLZGASSA-N -1 3 379.386 3.504 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820675084 606619015 /nfs/dbraw/zinc/61/90/15/606619015.db2.gz HRJOGSHKYGQGHL-ZMTLZGASSA-N -1 3 379.386 3.504 20 0 GHADHM CC(C)c1nc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)no1 ZINC000820203002 606656264 /nfs/dbraw/zinc/65/62/64/606656264.db2.gz OHJPPZQHDODTFZ-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)c1nc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)no1 ZINC000820203002 606656265 /nfs/dbraw/zinc/65/62/65/606656265.db2.gz OHJPPZQHDODTFZ-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000821406567 606657233 /nfs/dbraw/zinc/65/72/33/606657233.db2.gz IBTSFVSHVWABJH-LBPRGKRZSA-N -1 3 382.424 3.616 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000821406567 606657234 /nfs/dbraw/zinc/65/72/34/606657234.db2.gz IBTSFVSHVWABJH-LBPRGKRZSA-N -1 3 382.424 3.616 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820919479 606669393 /nfs/dbraw/zinc/66/93/93/606669393.db2.gz CRAXVEAVNXDWBT-CQSZACIVSA-N -1 3 377.782 3.679 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820919479 606669394 /nfs/dbraw/zinc/66/93/94/606669394.db2.gz CRAXVEAVNXDWBT-CQSZACIVSA-N -1 3 377.782 3.679 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCSc2ccc(Cl)cc21 ZINC000823459708 606671723 /nfs/dbraw/zinc/67/17/23/606671723.db2.gz BPEZUIKCZBEFSI-UHFFFAOYSA-N -1 3 393.806 3.551 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCSc2ccc(Cl)cc21 ZINC000823459708 606671724 /nfs/dbraw/zinc/67/17/24/606671724.db2.gz BPEZUIKCZBEFSI-UHFFFAOYSA-N -1 3 393.806 3.551 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCc2ccc(F)c(F)c2)s1 ZINC000821465193 606674447 /nfs/dbraw/zinc/67/44/47/606674447.db2.gz DLTMOGRFZYEHSN-UHFFFAOYSA-N -1 3 377.420 3.730 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCc2ccc(F)c(F)c2)s1 ZINC000821465193 606674448 /nfs/dbraw/zinc/67/44/48/606674448.db2.gz DLTMOGRFZYEHSN-UHFFFAOYSA-N -1 3 377.420 3.730 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccoc1)C1CCCCC1 ZINC000823454697 606682088 /nfs/dbraw/zinc/68/20/88/606682088.db2.gz REAYRFUWZOQSJD-UHFFFAOYSA-N -1 3 387.390 3.713 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccoc1)C1CCCCC1 ZINC000823454697 606682089 /nfs/dbraw/zinc/68/20/89/606682089.db2.gz REAYRFUWZOQSJD-UHFFFAOYSA-N -1 3 387.390 3.713 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820496197 606686265 /nfs/dbraw/zinc/68/62/65/606686265.db2.gz LZPODKPMVUUYAB-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820496197 606686266 /nfs/dbraw/zinc/68/62/66/606686266.db2.gz LZPODKPMVUUYAB-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823454753 606686377 /nfs/dbraw/zinc/68/63/77/606686377.db2.gz SRHVVOIJBRDCPR-MRXNPFEDSA-N -1 3 387.365 3.651 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823454753 606686378 /nfs/dbraw/zinc/68/63/78/606686378.db2.gz SRHVVOIJBRDCPR-MRXNPFEDSA-N -1 3 387.365 3.651 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820037527 606689136 /nfs/dbraw/zinc/68/91/36/606689136.db2.gz CWASVSKZVPVVKY-IBGZPJMESA-N -1 3 391.475 3.564 20 0 GHADHM CSc1ccc(Cl)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821983333 606701583 /nfs/dbraw/zinc/70/15/83/606701583.db2.gz GNTUVFGTUPQZSX-UHFFFAOYSA-N -1 3 399.867 3.904 20 0 GHADHM CSc1ccc(Cl)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821983333 606701585 /nfs/dbraw/zinc/70/15/85/606701585.db2.gz GNTUVFGTUPQZSX-UHFFFAOYSA-N -1 3 399.867 3.904 20 0 GHADHM Clc1cccc([C@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000822585699 606742663 /nfs/dbraw/zinc/74/26/63/606742663.db2.gz LKXUFCFQQMOPOG-IBGZPJMESA-N -1 3 376.851 3.794 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881769 606753395 /nfs/dbraw/zinc/75/33/95/606753395.db2.gz CVPDYZFVMUWNSC-UONOGXRCSA-N -1 3 393.447 3.564 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881769 606753397 /nfs/dbraw/zinc/75/33/97/606753397.db2.gz CVPDYZFVMUWNSC-UONOGXRCSA-N -1 3 393.447 3.564 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NC1(C2CC2)CC1 ZINC000823350650 606772742 /nfs/dbraw/zinc/77/27/42/606772742.db2.gz VQRUIGPZDKIYPL-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NC1(C2CC2)CC1 ZINC000823350650 606772744 /nfs/dbraw/zinc/77/27/44/606772744.db2.gz VQRUIGPZDKIYPL-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000822136577 606775869 /nfs/dbraw/zinc/77/58/69/606775869.db2.gz MJQZUUPOFAVJRN-OAHLLOKOSA-N -1 3 377.448 3.982 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000822136577 606775871 /nfs/dbraw/zinc/77/58/71/606775871.db2.gz MJQZUUPOFAVJRN-OAHLLOKOSA-N -1 3 377.448 3.982 20 0 GHADHM CN(C)C(=O)Sc1cccc(COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821577978 606781051 /nfs/dbraw/zinc/78/10/51/606781051.db2.gz HQUVBACVYBBUCR-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM CN(C)C(=O)Sc1cccc(COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821577978 606781052 /nfs/dbraw/zinc/78/10/52/606781052.db2.gz HQUVBACVYBBUCR-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1Cl ZINC000823031469 606785262 /nfs/dbraw/zinc/78/52/62/606785262.db2.gz BQDNNYLVBLAJMF-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1Cl ZINC000823031469 606785261 /nfs/dbraw/zinc/78/52/61/606785261.db2.gz BQDNNYLVBLAJMF-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000820151658 606786883 /nfs/dbraw/zinc/78/68/83/606786883.db2.gz LSFKVJPOVCGTPL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000820151658 606786885 /nfs/dbraw/zinc/78/68/85/606786885.db2.gz LSFKVJPOVCGTPL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1 ZINC000822137806 606791215 /nfs/dbraw/zinc/79/12/15/606791215.db2.gz XLNMESBXJKBCIL-AWEZNQCLSA-N -1 3 395.488 3.545 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1 ZINC000822137806 606791217 /nfs/dbraw/zinc/79/12/17/606791217.db2.gz XLNMESBXJKBCIL-AWEZNQCLSA-N -1 3 395.488 3.545 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502329 606801103 /nfs/dbraw/zinc/80/11/03/606801103.db2.gz PORNKDRNXGKXJC-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502329 606801104 /nfs/dbraw/zinc/80/11/04/606801104.db2.gz PORNKDRNXGKXJC-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM CC(C)(C)CCNC(=O)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819914614 606827743 /nfs/dbraw/zinc/82/77/43/606827743.db2.gz ZHOXOMJDEZCRCS-UHFFFAOYSA-N -1 3 394.479 3.623 20 0 GHADHM CC(C)(C)CCNC(=O)CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819914614 606827744 /nfs/dbraw/zinc/82/77/44/606827744.db2.gz ZHOXOMJDEZCRCS-UHFFFAOYSA-N -1 3 394.479 3.623 20 0 GHADHM C[C@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000820549717 606827752 /nfs/dbraw/zinc/82/77/52/606827752.db2.gz QREVAIYKZXLHHV-ZDUSSCGKSA-N -1 3 394.460 3.790 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819782986 606829553 /nfs/dbraw/zinc/82/95/53/606829553.db2.gz SAGOHHGAIWJEAE-UHFFFAOYSA-N -1 3 396.472 3.934 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819782986 606829554 /nfs/dbraw/zinc/82/95/54/606829554.db2.gz SAGOHHGAIWJEAE-UHFFFAOYSA-N -1 3 396.472 3.934 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)Nc1ccsc1 ZINC000823254253 606830938 /nfs/dbraw/zinc/83/09/38/606830938.db2.gz RJQFFMDFEYKVQP-UHFFFAOYSA-N -1 3 382.474 3.978 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823175505 606835248 /nfs/dbraw/zinc/83/52/48/606835248.db2.gz KDXJPPZPYZYIOZ-QGZVFWFLSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823175505 606835250 /nfs/dbraw/zinc/83/52/50/606835250.db2.gz KDXJPPZPYZYIOZ-QGZVFWFLSA-N -1 3 396.476 3.676 20 0 GHADHM CCc1ccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821486264 606841088 /nfs/dbraw/zinc/84/10/88/606841088.db2.gz BBQZQLNHBOICQK-UHFFFAOYSA-N -1 3 397.504 3.570 20 0 GHADHM CCc1ccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821486264 606841090 /nfs/dbraw/zinc/84/10/90/606841090.db2.gz BBQZQLNHBOICQK-UHFFFAOYSA-N -1 3 397.504 3.570 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822122328 606850170 /nfs/dbraw/zinc/85/01/70/606850170.db2.gz LBRUTTCADPLJAO-UHFFFAOYSA-N -1 3 396.470 3.702 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822122328 606850172 /nfs/dbraw/zinc/85/01/72/606850172.db2.gz LBRUTTCADPLJAO-UHFFFAOYSA-N -1 3 396.470 3.702 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1cc(F)ccc1F ZINC000823065931 606854203 /nfs/dbraw/zinc/85/42/03/606854203.db2.gz FNARKLCUFNSSOC-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cc(F)ccc1F ZINC000823065931 606854205 /nfs/dbraw/zinc/85/42/05/606854205.db2.gz FNARKLCUFNSSOC-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM S=C(NCC1(Cc2ccccc2)CCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000823733526 606860801 /nfs/dbraw/zinc/86/08/01/606860801.db2.gz XORVMNOEDWHKNT-UHFFFAOYSA-N -1 3 378.505 3.566 20 0 GHADHM S=C(NCC1(Cc2ccccc2)CCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000823733526 606860803 /nfs/dbraw/zinc/86/08/03/606860803.db2.gz XORVMNOEDWHKNT-UHFFFAOYSA-N -1 3 378.505 3.566 20 0 GHADHM Cc1ccc(-c2nnc(SCCCOc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822215213 606865404 /nfs/dbraw/zinc/86/54/04/606865404.db2.gz QZGAMGVXFWXZRP-UHFFFAOYSA-N -1 3 394.460 3.786 20 0 GHADHM Cc1ccc(-c2nnc(SCCCOc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822215213 606865406 /nfs/dbraw/zinc/86/54/06/606865406.db2.gz QZGAMGVXFWXZRP-UHFFFAOYSA-N -1 3 394.460 3.786 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1NC1CC1 ZINC000822928043 606908363 /nfs/dbraw/zinc/90/83/63/606908363.db2.gz DAIUCGRHEOAFSZ-BJMVGYQFSA-N -1 3 380.839 3.746 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1NC1CC1 ZINC000822928043 606908364 /nfs/dbraw/zinc/90/83/64/606908364.db2.gz DAIUCGRHEOAFSZ-BJMVGYQFSA-N -1 3 380.839 3.746 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823344100 606908735 /nfs/dbraw/zinc/90/87/35/606908735.db2.gz QLPUXTMQMPXAIJ-INIZCTEOSA-N -1 3 394.410 3.574 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823344100 606908737 /nfs/dbraw/zinc/90/87/37/606908737.db2.gz QLPUXTMQMPXAIJ-INIZCTEOSA-N -1 3 394.410 3.574 20 0 GHADHM CCc1nnc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1CC ZINC000821529608 606917689 /nfs/dbraw/zinc/91/76/89/606917689.db2.gz XVECZAWBLBDZSK-CQSZACIVSA-N -1 3 385.472 3.570 20 0 GHADHM CCc1nnc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1CC ZINC000821529608 606917690 /nfs/dbraw/zinc/91/76/90/606917690.db2.gz XVECZAWBLBDZSK-CQSZACIVSA-N -1 3 385.472 3.570 20 0 GHADHM Fc1ccc(CNc2ccccc2OC[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000822771633 606930233 /nfs/dbraw/zinc/93/02/33/606930233.db2.gz IHERSVMWBWJRJR-OAHLLOKOSA-N -1 3 383.427 3.566 20 0 GHADHM Fc1ccc(CNc2ccccc2OC[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000822771633 606930235 /nfs/dbraw/zinc/93/02/35/606930235.db2.gz IHERSVMWBWJRJR-OAHLLOKOSA-N -1 3 383.427 3.566 20 0 GHADHM CCOCCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCCC1 ZINC000821373662 606955356 /nfs/dbraw/zinc/95/53/56/606955356.db2.gz KFAAVYXAKYHUHS-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM CCOCCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCCC1 ZINC000821373662 606955357 /nfs/dbraw/zinc/95/53/57/606955357.db2.gz KFAAVYXAKYHUHS-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM Cc1sc(NC(=O)c2cc(C)ccc2Br)c(-c2nnn[n-]2)c1C ZINC000822224978 606955874 /nfs/dbraw/zinc/95/58/74/606955874.db2.gz IKRVXULBMJQCCJ-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2cc(C)ccc2Br)c(-c2nn[n-]n2)c1C ZINC000822224978 606955876 /nfs/dbraw/zinc/95/58/76/606955876.db2.gz IKRVXULBMJQCCJ-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM CSC=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000821956200 606958057 /nfs/dbraw/zinc/95/80/57/606958057.db2.gz JMNJFAMTDLCKBY-DMEOUFDRSA-N -1 3 377.539 3.894 20 0 GHADHM CS/C=C\C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000821956200 606958058 /nfs/dbraw/zinc/95/80/58/606958058.db2.gz JMNJFAMTDLCKBY-DMEOUFDRSA-N -1 3 377.539 3.894 20 0 GHADHM COC(C)(C)CN(C)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821672508 606987722 /nfs/dbraw/zinc/98/77/22/606987722.db2.gz NGQRXYZIUMNTKN-UHFFFAOYSA-N -1 3 397.504 3.515 20 0 GHADHM COC(C)(C)CN(C)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821672508 606987723 /nfs/dbraw/zinc/98/77/23/606987723.db2.gz NGQRXYZIUMNTKN-UHFFFAOYSA-N -1 3 397.504 3.515 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2sccc2C1 ZINC000820032721 607012810 /nfs/dbraw/zinc/01/28/10/607012810.db2.gz PWBJBBUEXIRQOS-QGZVFWFLSA-N -1 3 399.545 3.630 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000820032721 607012811 /nfs/dbraw/zinc/01/28/11/607012811.db2.gz PWBJBBUEXIRQOS-QGZVFWFLSA-N -1 3 399.545 3.630 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820220289 607012865 /nfs/dbraw/zinc/01/28/65/607012865.db2.gz QCWUYPRTFZVDLQ-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820220289 607012867 /nfs/dbraw/zinc/01/28/67/607012867.db2.gz QCWUYPRTFZVDLQ-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820554951 607015102 /nfs/dbraw/zinc/01/51/02/607015102.db2.gz CFCOPUWBRSYSDL-UONOGXRCSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820554951 607015103 /nfs/dbraw/zinc/01/51/03/607015103.db2.gz CFCOPUWBRSYSDL-UONOGXRCSA-N -1 3 379.489 3.715 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822362411 607035094 /nfs/dbraw/zinc/03/50/94/607035094.db2.gz SBGIUDURBKYEKA-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822362411 607035096 /nfs/dbraw/zinc/03/50/96/607035096.db2.gz SBGIUDURBKYEKA-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000822757970 607055515 /nfs/dbraw/zinc/05/55/15/607055515.db2.gz IERAWEAJKGLYLO-MRXNPFEDSA-N -1 3 380.452 3.953 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000819965882 607085092 /nfs/dbraw/zinc/08/50/92/607085092.db2.gz QVENQFGMDXRUEW-FNORWQNLSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000819965882 607085094 /nfs/dbraw/zinc/08/50/94/607085094.db2.gz QVENQFGMDXRUEW-FNORWQNLSA-N -1 3 387.440 3.516 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820914855 607094208 /nfs/dbraw/zinc/09/42/08/607094208.db2.gz QRDVHCHAPMBHPO-OAHLLOKOSA-N -1 3 385.418 3.628 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820914855 607094209 /nfs/dbraw/zinc/09/42/09/607094209.db2.gz QRDVHCHAPMBHPO-OAHLLOKOSA-N -1 3 385.418 3.628 20 0 GHADHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000820635246 607115367 /nfs/dbraw/zinc/11/53/67/607115367.db2.gz LASGKOZZGVQEDY-SFHVURJKSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000820635246 607115369 /nfs/dbraw/zinc/11/53/69/607115369.db2.gz LASGKOZZGVQEDY-SFHVURJKSA-N -1 3 389.381 3.638 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@@H]1CC12CCC2 ZINC000823350286 607125987 /nfs/dbraw/zinc/12/59/87/607125987.db2.gz HNAHERHUCOLVEJ-INIZCTEOSA-N -1 3 393.422 3.714 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@@H]1CC12CCC2 ZINC000823350286 607125989 /nfs/dbraw/zinc/12/59/89/607125989.db2.gz HNAHERHUCOLVEJ-INIZCTEOSA-N -1 3 393.422 3.714 20 0 GHADHM COCCC1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000821686186 607146889 /nfs/dbraw/zinc/14/68/89/607146889.db2.gz DSPFOCIBVYVHHE-UHFFFAOYSA-N -1 3 378.432 3.646 20 0 GHADHM COCCC1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000821686186 607146890 /nfs/dbraw/zinc/14/68/90/607146890.db2.gz DSPFOCIBVYVHHE-UHFFFAOYSA-N -1 3 378.432 3.646 20 0 GHADHM CC(C)(C)c1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819957621 607166668 /nfs/dbraw/zinc/16/66/68/607166668.db2.gz BTQQHTQLPQGWAA-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM CC(C)(C)c1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819957621 607166669 /nfs/dbraw/zinc/16/66/69/607166669.db2.gz BTQQHTQLPQGWAA-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1csc(-c2ccccc2)n1 ZINC000823318632 607189574 /nfs/dbraw/zinc/18/95/74/607189574.db2.gz GEXXFGSDBZDTJS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1csc(-c2ccccc2)n1 ZINC000823318632 607189575 /nfs/dbraw/zinc/18/95/75/607189575.db2.gz GEXXFGSDBZDTJS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820636531 607196272 /nfs/dbraw/zinc/19/62/72/607196272.db2.gz TWGPCLCMRRTQFT-IBGZPJMESA-N -1 3 382.855 3.716 20 0 GHADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820636531 607196273 /nfs/dbraw/zinc/19/62/73/607196273.db2.gz TWGPCLCMRRTQFT-IBGZPJMESA-N -1 3 382.855 3.716 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](c1ccccc1)C(F)(F)F ZINC000823319325 607199657 /nfs/dbraw/zinc/19/96/57/607199657.db2.gz SEGZWBPILUIYPS-ZDUSSCGKSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](c1ccccc1)C(F)(F)F ZINC000823319325 607199658 /nfs/dbraw/zinc/19/96/58/607199658.db2.gz SEGZWBPILUIYPS-ZDUSSCGKSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCCOc2ccccc21 ZINC000823318889 607199743 /nfs/dbraw/zinc/19/97/43/607199743.db2.gz MZPURUJGXQMHOQ-AWEZNQCLSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCCOc2ccccc21 ZINC000823318889 607199744 /nfs/dbraw/zinc/19/97/44/607199744.db2.gz MZPURUJGXQMHOQ-AWEZNQCLSA-N -1 3 384.827 3.556 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cc2c1C ZINC000822009962 607200424 /nfs/dbraw/zinc/20/04/24/607200424.db2.gz IIUVEHJZPULXSW-UHFFFAOYSA-N -1 3 395.854 3.940 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc2c1C ZINC000822009962 607200425 /nfs/dbraw/zinc/20/04/25/607200425.db2.gz IIUVEHJZPULXSW-UHFFFAOYSA-N -1 3 395.854 3.940 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2c1cccc2Cl ZINC000823319611 607200642 /nfs/dbraw/zinc/20/06/42/607200642.db2.gz VVTXPYWKBLKUED-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2c1cccc2Cl ZINC000823319611 607200643 /nfs/dbraw/zinc/20/06/43/607200643.db2.gz VVTXPYWKBLKUED-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(NCCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823219733 607202643 /nfs/dbraw/zinc/20/26/43/607202643.db2.gz OIRFDGIFAOGXQO-UHFFFAOYSA-N -1 3 377.235 3.538 20 0 GHADHM O=C(NCCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823219733 607202644 /nfs/dbraw/zinc/20/26/44/607202644.db2.gz OIRFDGIFAOGXQO-UHFFFAOYSA-N -1 3 377.235 3.538 20 0 GHADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820301711 607229846 /nfs/dbraw/zinc/22/98/46/607229846.db2.gz ZYURLSWCCZOSMM-OAHLLOKOSA-N -1 3 399.454 3.600 20 0 GHADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820301711 607229847 /nfs/dbraw/zinc/22/98/47/607229847.db2.gz ZYURLSWCCZOSMM-OAHLLOKOSA-N -1 3 399.454 3.600 20 0 GHADHM O=C(Cc1ccc(F)cc1Cl)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823083087 607235179 /nfs/dbraw/zinc/23/51/79/607235179.db2.gz VPDOIEWZFLCVGW-UHFFFAOYSA-N -1 3 391.859 3.781 20 0 GHADHM O=C(Cc1ccc(F)cc1Cl)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823083087 607235180 /nfs/dbraw/zinc/23/51/80/607235180.db2.gz VPDOIEWZFLCVGW-UHFFFAOYSA-N -1 3 391.859 3.781 20 0 GHADHM Cc1ccc2cccc(NC(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000822279614 607238206 /nfs/dbraw/zinc/23/82/06/607238206.db2.gz CNKFXIJAYXPJQQ-UHFFFAOYSA-N -1 3 388.431 3.519 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)c(Cl)nc1Cl ZINC000823319811 607242646 /nfs/dbraw/zinc/24/26/46/607242646.db2.gz YRDQIMGYRWFZIV-UHFFFAOYSA-N -1 3 387.589 3.613 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)c(Cl)nc1Cl ZINC000823319811 607242647 /nfs/dbraw/zinc/24/26/47/607242647.db2.gz YRDQIMGYRWFZIV-UHFFFAOYSA-N -1 3 387.589 3.613 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823074839 607242721 /nfs/dbraw/zinc/24/27/21/607242721.db2.gz YVOQGLBJFRQWNZ-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823074839 607242722 /nfs/dbraw/zinc/24/27/22/607242722.db2.gz YVOQGLBJFRQWNZ-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822974531 607248974 /nfs/dbraw/zinc/24/89/74/607248974.db2.gz QONYIMHTTITCCG-UHFFFAOYSA-N -1 3 378.816 3.747 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822974531 607248975 /nfs/dbraw/zinc/24/89/75/607248975.db2.gz QONYIMHTTITCCG-UHFFFAOYSA-N -1 3 378.816 3.747 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825127817 607781385 /nfs/dbraw/zinc/78/13/85/607781385.db2.gz OORXNWUJXQTKTI-RHSMWYFYSA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825127817 607781386 /nfs/dbraw/zinc/78/13/86/607781386.db2.gz OORXNWUJXQTKTI-RHSMWYFYSA-N -1 3 396.520 3.798 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915142 607782301 /nfs/dbraw/zinc/78/23/01/607782301.db2.gz BKHPFNGQENTDRV-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915142 607782302 /nfs/dbraw/zinc/78/23/02/607782302.db2.gz BKHPFNGQENTDRV-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1-c1nnn[n-]1 ZINC000825820476 607789081 /nfs/dbraw/zinc/78/90/81/607789081.db2.gz HGDGAYZNTOPJIB-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1-c1nn[n-]n1 ZINC000825820476 607789082 /nfs/dbraw/zinc/78/90/82/607789082.db2.gz HGDGAYZNTOPJIB-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM Cc1cc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826267450 607791610 /nfs/dbraw/zinc/79/16/10/607791610.db2.gz GONJMFTVKAUKOU-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826267450 607791611 /nfs/dbraw/zinc/79/16/11/607791611.db2.gz GONJMFTVKAUKOU-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM CCN(C(=O)c1cccc(-c2csc(C)n2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385427 607796916 /nfs/dbraw/zinc/79/69/16/607796916.db2.gz FMPCBSXXZPOESU-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1cccc(-c2csc(C)n2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385427 607796917 /nfs/dbraw/zinc/79/69/17/607796917.db2.gz FMPCBSXXZPOESU-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1cc(C)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380582 607798279 /nfs/dbraw/zinc/79/82/79/607798279.db2.gz RXMHJSAFRHJFLE-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1cc(C)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380582 607798280 /nfs/dbraw/zinc/79/82/80/607798280.db2.gz RXMHJSAFRHJFLE-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227288 607835328 /nfs/dbraw/zinc/83/53/28/607835328.db2.gz OVCZCMBBUNHPBY-NXEZZACHSA-N -1 3 386.308 3.578 20 0 GHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227288 607835329 /nfs/dbraw/zinc/83/53/29/607835329.db2.gz OVCZCMBBUNHPBY-NXEZZACHSA-N -1 3 386.308 3.578 20 0 GHADHM CSc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826230991 607844824 /nfs/dbraw/zinc/84/48/24/607844824.db2.gz RWJGRIYDELFKPJ-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CSc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826230991 607844825 /nfs/dbraw/zinc/84/48/25/607844825.db2.gz RWJGRIYDELFKPJ-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367028 607878664 /nfs/dbraw/zinc/87/86/64/607878664.db2.gz IFCVPMYBEQRQIB-HZPDHXFCSA-N -1 3 385.830 3.816 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367028 607878665 /nfs/dbraw/zinc/87/86/65/607878665.db2.gz IFCVPMYBEQRQIB-HZPDHXFCSA-N -1 3 385.830 3.816 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000825820725 607917511 /nfs/dbraw/zinc/91/75/11/607917511.db2.gz QMQRIHWORSRECS-CQSZACIVSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000825820725 607917512 /nfs/dbraw/zinc/91/75/12/607917512.db2.gz QMQRIHWORSRECS-CQSZACIVSA-N -1 3 396.476 3.628 20 0 GHADHM O=C(CSc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000826420900 607917792 /nfs/dbraw/zinc/91/77/92/607917792.db2.gz IFOIULWFYPKJRK-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000826420900 607917793 /nfs/dbraw/zinc/91/77/93/607917793.db2.gz IFOIULWFYPKJRK-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473739 607945799 /nfs/dbraw/zinc/94/57/99/607945799.db2.gz LOLLVFIVBBQYIB-UHFFFAOYSA-N -1 3 379.423 3.641 20 0 GHADHM O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473739 607945800 /nfs/dbraw/zinc/94/58/00/607945800.db2.gz LOLLVFIVBBQYIB-UHFFFAOYSA-N -1 3 379.423 3.641 20 0 GHADHM O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473833 607953818 /nfs/dbraw/zinc/95/38/18/607953818.db2.gz QGFAGSZJYAEQNL-UHFFFAOYSA-N -1 3 398.470 3.820 20 0 GHADHM O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473833 607953819 /nfs/dbraw/zinc/95/38/19/607953819.db2.gz QGFAGSZJYAEQNL-UHFFFAOYSA-N -1 3 398.470 3.820 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC000825134410 607961515 /nfs/dbraw/zinc/96/15/15/607961515.db2.gz UFEGNFXOFARBDK-OAHLLOKOSA-N -1 3 399.455 3.532 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC000825134410 607961516 /nfs/dbraw/zinc/96/15/16/607961516.db2.gz UFEGNFXOFARBDK-OAHLLOKOSA-N -1 3 399.455 3.532 20 0 GHADHM CN(C(=O)C(F)(F)c1c(F)cccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812117 607963384 /nfs/dbraw/zinc/96/33/84/607963384.db2.gz IBOIFZIDJFUUDC-UHFFFAOYSA-N -1 3 399.735 3.553 20 0 GHADHM CN(C(=O)C(F)(F)c1c(F)cccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812117 607963385 /nfs/dbraw/zinc/96/33/85/607963385.db2.gz IBOIFZIDJFUUDC-UHFFFAOYSA-N -1 3 399.735 3.553 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337417 607965703 /nfs/dbraw/zinc/96/57/03/607965703.db2.gz NQYNCGXTBPDUHU-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337417 607965704 /nfs/dbraw/zinc/96/57/04/607965704.db2.gz NQYNCGXTBPDUHU-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nnn[n-]2)n1[C@H]1CCC[C@H](C)C1 ZINC000826336711 607965752 /nfs/dbraw/zinc/96/57/52/607965752.db2.gz KDIGMTCISHIUFV-ZFWWWQNUSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nn[n-]n2)n1[C@H]1CCC[C@H](C)C1 ZINC000826336711 607965753 /nfs/dbraw/zinc/96/57/53/607965753.db2.gz KDIGMTCISHIUFV-ZFWWWQNUSA-N -1 3 399.524 3.689 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCc2c3ccccc3[nH]c2C1 ZINC000826368178 607968776 /nfs/dbraw/zinc/96/87/76/607968776.db2.gz FTMVBTSSEHCTED-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000824255528 607980135 /nfs/dbraw/zinc/98/01/35/607980135.db2.gz NAJSFQVKGAQQCV-POHAHGRESA-N -1 3 396.882 3.613 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000824255528 607980136 /nfs/dbraw/zinc/98/01/36/607980136.db2.gz NAJSFQVKGAQQCV-POHAHGRESA-N -1 3 396.882 3.613 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1-c1nnn[n-]1 ZINC000826207231 607983595 /nfs/dbraw/zinc/98/35/95/607983595.db2.gz GEAMFAKBPUNKIP-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000826207231 607983596 /nfs/dbraw/zinc/98/35/96/607983596.db2.gz GEAMFAKBPUNKIP-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824450686 608004502 /nfs/dbraw/zinc/00/45/02/608004502.db2.gz XYXHKKCALSYYTD-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824450686 608004503 /nfs/dbraw/zinc/00/45/03/608004503.db2.gz XYXHKKCALSYYTD-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCCC12CCCCC2 ZINC000826451486 608007446 /nfs/dbraw/zinc/00/74/46/608007446.db2.gz ITCBHWDZPPRPNQ-UHFFFAOYSA-N -1 3 392.410 3.799 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCCC12CCCCC2 ZINC000826451486 608007447 /nfs/dbraw/zinc/00/74/47/608007447.db2.gz ITCBHWDZPPRPNQ-UHFFFAOYSA-N -1 3 392.410 3.799 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000824114020 608022558 /nfs/dbraw/zinc/02/25/58/608022558.db2.gz HWSSELGHCBGEID-UHFFFAOYSA-N -1 3 384.465 3.901 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000824114020 608022559 /nfs/dbraw/zinc/02/25/59/608022559.db2.gz HWSSELGHCBGEID-UHFFFAOYSA-N -1 3 384.465 3.901 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2cc1OC(F)F ZINC000119636866 608047202 /nfs/dbraw/zinc/04/72/02/608047202.db2.gz DFNOLYPQPQHZDR-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2cc1OC(F)F ZINC000119636866 608047203 /nfs/dbraw/zinc/04/72/03/608047203.db2.gz DFNOLYPQPQHZDR-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM Clc1ccc2nccc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)c2c1 ZINC000826352676 608052016 /nfs/dbraw/zinc/05/20/16/608052016.db2.gz KAVZVMPZPPAFKC-IBGZPJMESA-N -1 3 392.850 3.646 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280398 608054108 /nfs/dbraw/zinc/05/41/08/608054108.db2.gz MBVUTXPDVKHNRJ-INIZCTEOSA-N -1 3 377.492 3.827 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280398 608054109 /nfs/dbraw/zinc/05/41/09/608054109.db2.gz MBVUTXPDVKHNRJ-INIZCTEOSA-N -1 3 377.492 3.827 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc([C@H]2CCOC2)c1 ZINC000826460691 608059490 /nfs/dbraw/zinc/05/94/90/608059490.db2.gz NDGKZJAVLXJZNH-AWEZNQCLSA-N -1 3 395.488 3.563 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc([C@H]2CCOC2)c1 ZINC000826460691 608059491 /nfs/dbraw/zinc/05/94/91/608059491.db2.gz NDGKZJAVLXJZNH-AWEZNQCLSA-N -1 3 395.488 3.563 20 0 GHADHM CN(C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CCC1 ZINC000825829545 608065548 /nfs/dbraw/zinc/06/55/48/608065548.db2.gz GLIOCIKPWMHHBJ-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CN(C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CCC1 ZINC000825829545 608065549 /nfs/dbraw/zinc/06/55/49/608065549.db2.gz GLIOCIKPWMHHBJ-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CC(C)c1ccccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824352620 608072229 /nfs/dbraw/zinc/07/22/29/608072229.db2.gz KOOGBKITSFAHML-LJQANCHMSA-N -1 3 392.463 3.596 20 0 GHADHM CC(C)c1ccccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824352620 608072230 /nfs/dbraw/zinc/07/22/30/608072230.db2.gz KOOGBKITSFAHML-LJQANCHMSA-N -1 3 392.463 3.596 20 0 GHADHM CCCCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000825268626 608081811 /nfs/dbraw/zinc/08/18/11/608081811.db2.gz WMZIDFUGGGWJPE-RTBURBONSA-N -1 3 385.512 3.619 20 0 GHADHM CCCCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000825268626 608081812 /nfs/dbraw/zinc/08/18/12/608081812.db2.gz WMZIDFUGGGWJPE-RTBURBONSA-N -1 3 385.512 3.619 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406021 608082913 /nfs/dbraw/zinc/08/29/13/608082913.db2.gz DUCCYINDVMJCCP-IBGZPJMESA-N -1 3 383.496 3.517 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406021 608082914 /nfs/dbraw/zinc/08/29/14/608082914.db2.gz DUCCYINDVMJCCP-IBGZPJMESA-N -1 3 383.496 3.517 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825242549 608089486 /nfs/dbraw/zinc/08/94/86/608089486.db2.gz UUHZRMXVFADGDT-UXHICEINSA-N -1 3 397.523 3.763 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825242549 608089487 /nfs/dbraw/zinc/08/94/87/608089487.db2.gz UUHZRMXVFADGDT-UXHICEINSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081702 608106537 /nfs/dbraw/zinc/10/65/37/608106537.db2.gz MKTNVAIJLVXNNV-OLZOCXBDSA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081702 608106538 /nfs/dbraw/zinc/10/65/38/608106538.db2.gz MKTNVAIJLVXNNV-OLZOCXBDSA-N -1 3 394.483 3.794 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824864531 608119485 /nfs/dbraw/zinc/11/94/85/608119485.db2.gz BPXDQBISQAFXLF-KGLIPLIRSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824864531 608119486 /nfs/dbraw/zinc/11/94/86/608119486.db2.gz BPXDQBISQAFXLF-KGLIPLIRSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824867288 608119662 /nfs/dbraw/zinc/11/96/62/608119662.db2.gz OZIJXDVCOFWPDL-UKRRQHHQSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824867288 608119663 /nfs/dbraw/zinc/11/96/63/608119663.db2.gz OZIJXDVCOFWPDL-UKRRQHHQSA-N -1 3 391.431 3.603 20 0 GHADHM CCSc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000825675128 608120592 /nfs/dbraw/zinc/12/05/92/608120592.db2.gz WSXOOSRIZRSZMB-UHFFFAOYSA-N -1 3 391.403 3.832 20 0 GHADHM CCSc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000825675128 608120593 /nfs/dbraw/zinc/12/05/93/608120593.db2.gz WSXOOSRIZRSZMB-UHFFFAOYSA-N -1 3 391.403 3.832 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824371872 608121973 /nfs/dbraw/zinc/12/19/73/608121973.db2.gz WTTYGBYOCINYGQ-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824371872 608121974 /nfs/dbraw/zinc/12/19/74/608121974.db2.gz WTTYGBYOCINYGQ-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM Cc1cc(C)cc([C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)c1 ZINC000826264776 608124249 /nfs/dbraw/zinc/12/42/49/608124249.db2.gz ZYLWMBQCCFHBDS-KRWDZBQOSA-N -1 3 390.365 3.873 20 0 GHADHM Cc1cc(C)cc([C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)c1 ZINC000826264776 608124250 /nfs/dbraw/zinc/12/42/50/608124250.db2.gz ZYLWMBQCCFHBDS-KRWDZBQOSA-N -1 3 390.365 3.873 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C(F)(F)F)c1 ZINC000826162902 608136467 /nfs/dbraw/zinc/13/64/67/608136467.db2.gz XHEAMUKCRNFFPJ-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C(F)(F)F)c1 ZINC000826162902 608136468 /nfs/dbraw/zinc/13/64/68/608136468.db2.gz XHEAMUKCRNFFPJ-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825013039 608141037 /nfs/dbraw/zinc/14/10/37/608141037.db2.gz NLOUYICMHKBIER-LBPRGKRZSA-N -1 3 399.907 3.838 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825013039 608141038 /nfs/dbraw/zinc/14/10/38/608141038.db2.gz NLOUYICMHKBIER-LBPRGKRZSA-N -1 3 399.907 3.838 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825013038 608141061 /nfs/dbraw/zinc/14/10/61/608141061.db2.gz NLOUYICMHKBIER-GFCCVEGCSA-N -1 3 399.907 3.838 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825013038 608141062 /nfs/dbraw/zinc/14/10/62/608141062.db2.gz NLOUYICMHKBIER-GFCCVEGCSA-N -1 3 399.907 3.838 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000824114281 608160947 /nfs/dbraw/zinc/16/09/47/608160947.db2.gz MYQCBTNNVALGOB-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000824114281 608160950 /nfs/dbraw/zinc/16/09/50/608160950.db2.gz MYQCBTNNVALGOB-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825225756 608180171 /nfs/dbraw/zinc/18/01/71/608180171.db2.gz XFLLUHUHMLHESY-UHFFFAOYSA-N -1 3 398.854 3.819 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825225756 608180173 /nfs/dbraw/zinc/18/01/73/608180173.db2.gz XFLLUHUHMLHESY-UHFFFAOYSA-N -1 3 398.854 3.819 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825272271 608191425 /nfs/dbraw/zinc/19/14/25/608191425.db2.gz ZKYZASQMCFVXBE-OAHLLOKOSA-N -1 3 395.511 3.870 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825272271 608191426 /nfs/dbraw/zinc/19/14/26/608191426.db2.gz ZKYZASQMCFVXBE-OAHLLOKOSA-N -1 3 395.511 3.870 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(Cc2cccnc2)CC1 ZINC000826304523 608194421 /nfs/dbraw/zinc/19/44/21/608194421.db2.gz OIEPZRROECXBPB-UHFFFAOYSA-N -1 3 385.475 3.577 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(Cc2cccnc2)CC1 ZINC000826304523 608194422 /nfs/dbraw/zinc/19/44/22/608194422.db2.gz OIEPZRROECXBPB-UHFFFAOYSA-N -1 3 385.475 3.577 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000824929766 608205563 /nfs/dbraw/zinc/20/55/63/608205563.db2.gz YQHKXAWZHPYZKE-MDZLAQPJSA-N -1 3 379.917 3.553 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000824929766 608205565 /nfs/dbraw/zinc/20/55/65/608205565.db2.gz YQHKXAWZHPYZKE-MDZLAQPJSA-N -1 3 379.917 3.553 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826209583 608207652 /nfs/dbraw/zinc/20/76/52/608207652.db2.gz IMIKGTWBCOKOQE-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826209583 608207653 /nfs/dbraw/zinc/20/76/53/608207653.db2.gz IMIKGTWBCOKOQE-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656092 608221206 /nfs/dbraw/zinc/22/12/06/608221206.db2.gz HMOUKDXOVGJNCD-ZDUSSCGKSA-N -1 3 399.458 3.937 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656092 608221208 /nfs/dbraw/zinc/22/12/08/608221208.db2.gz HMOUKDXOVGJNCD-ZDUSSCGKSA-N -1 3 399.458 3.937 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825194964 608246098 /nfs/dbraw/zinc/24/60/98/608246098.db2.gz TYLGJFXDPCOZMZ-BEFAXECRSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825194964 608246100 /nfs/dbraw/zinc/24/61/00/608246100.db2.gz TYLGJFXDPCOZMZ-BEFAXECRSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000824757217 608251355 /nfs/dbraw/zinc/25/13/55/608251355.db2.gz UOWPYRAACWHHFW-LBPRGKRZSA-N -1 3 399.426 3.589 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000824757217 608251356 /nfs/dbraw/zinc/25/13/56/608251356.db2.gz UOWPYRAACWHHFW-LBPRGKRZSA-N -1 3 399.426 3.589 20 0 GHADHM CCCn1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1C1CC1 ZINC000825361080 608263625 /nfs/dbraw/zinc/26/36/25/608263625.db2.gz BQJPVZUFNOJSCC-UHFFFAOYSA-N -1 3 397.508 3.543 20 0 GHADHM CCCn1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1C1CC1 ZINC000825361080 608263628 /nfs/dbraw/zinc/26/36/28/608263628.db2.gz BQJPVZUFNOJSCC-UHFFFAOYSA-N -1 3 397.508 3.543 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000826173716 608266806 /nfs/dbraw/zinc/26/68/06/608266806.db2.gz QYEKCGBVNICPIY-WBMJQRKESA-N -1 3 399.524 3.819 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000826173716 608266808 /nfs/dbraw/zinc/26/68/08/608266808.db2.gz QYEKCGBVNICPIY-WBMJQRKESA-N -1 3 399.524 3.819 20 0 GHADHM CSc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000826230007 608269980 /nfs/dbraw/zinc/26/99/80/608269980.db2.gz ZSJBIELVYCVZJF-UHFFFAOYSA-N -1 3 385.468 3.779 20 0 GHADHM CSc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000826230007 608269981 /nfs/dbraw/zinc/26/99/81/608269981.db2.gz ZSJBIELVYCVZJF-UHFFFAOYSA-N -1 3 385.468 3.779 20 0 GHADHM COc1cc(CN(C)c2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1SC ZINC000826179497 608279982 /nfs/dbraw/zinc/27/99/82/608279982.db2.gz QLNIKMLYAVHHGP-UHFFFAOYSA-N -1 3 396.520 3.507 20 0 GHADHM COc1cc(CN(C)c2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1SC ZINC000826179497 608279984 /nfs/dbraw/zinc/27/99/84/608279984.db2.gz QLNIKMLYAVHHGP-UHFFFAOYSA-N -1 3 396.520 3.507 20 0 GHADHM C[C@@H](SCc1nnc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757429 608298620 /nfs/dbraw/zinc/29/86/20/608298620.db2.gz WMYBXUHOPYZJDK-CYBMUJFWSA-N -1 3 377.477 3.657 20 0 GHADHM C[C@@H](SCc1nnc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757429 608298621 /nfs/dbraw/zinc/29/86/21/608298621.db2.gz WMYBXUHOPYZJDK-CYBMUJFWSA-N -1 3 377.477 3.657 20 0 GHADHM C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824746115 608304961 /nfs/dbraw/zinc/30/49/61/608304961.db2.gz VLDLPZPSQLCYEP-MRXNPFEDSA-N -1 3 399.454 3.617 20 0 GHADHM C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824746115 608304963 /nfs/dbraw/zinc/30/49/63/608304963.db2.gz VLDLPZPSQLCYEP-MRXNPFEDSA-N -1 3 399.454 3.617 20 0 GHADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000826453250 608308887 /nfs/dbraw/zinc/30/88/87/608308887.db2.gz CNELIFLYNXPREK-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1sccc1-c1nn[n-]n1 ZINC000826453250 608308890 /nfs/dbraw/zinc/30/88/90/608308890.db2.gz CNELIFLYNXPREK-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM CCc1cccnc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825727865 608309360 /nfs/dbraw/zinc/30/93/60/608309360.db2.gz BNNGUJULXKAKRV-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824285156 608310388 /nfs/dbraw/zinc/31/03/88/608310388.db2.gz ZEPNZGWAWGGXMQ-AWEZNQCLSA-N -1 3 396.499 3.725 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824285156 608310389 /nfs/dbraw/zinc/31/03/89/608310389.db2.gz ZEPNZGWAWGGXMQ-AWEZNQCLSA-N -1 3 396.499 3.725 20 0 GHADHM CCN(C(=O)c1cc(F)c(C)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379512 608345631 /nfs/dbraw/zinc/34/56/31/608345631.db2.gz GQZIMXBWYCEFPA-UHFFFAOYSA-N -1 3 377.782 3.773 20 0 GHADHM CCN(C(=O)c1cc(F)c(C)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379512 608345633 /nfs/dbraw/zinc/34/56/33/608345633.db2.gz GQZIMXBWYCEFPA-UHFFFAOYSA-N -1 3 377.782 3.773 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)NC(C1CC1)C1CC1 ZINC000826440946 608349048 /nfs/dbraw/zinc/34/90/48/608349048.db2.gz GURGXRUQPOUVMR-UHFFFAOYSA-N -1 3 388.475 3.522 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)NC(C1CC1)C1CC1 ZINC000826440946 608349050 /nfs/dbraw/zinc/34/90/50/608349050.db2.gz GURGXRUQPOUVMR-UHFFFAOYSA-N -1 3 388.475 3.522 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825735668 608358441 /nfs/dbraw/zinc/35/84/41/608358441.db2.gz SIBXKYVCKVAJAB-HNNXBMFYSA-N -1 3 393.495 3.505 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825735668 608358444 /nfs/dbraw/zinc/35/84/44/608358444.db2.gz SIBXKYVCKVAJAB-HNNXBMFYSA-N -1 3 393.495 3.505 20 0 GHADHM Cc1ccc(C(=O)C2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c(C)c1 ZINC000826281425 608384743 /nfs/dbraw/zinc/38/47/43/608384743.db2.gz QYZBTXXZENUOKW-UHFFFAOYSA-N -1 3 393.466 3.718 20 0 GHADHM Cc1ccc(C(=O)C2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)c(C)c1 ZINC000826281425 608384745 /nfs/dbraw/zinc/38/47/45/608384745.db2.gz QYZBTXXZENUOKW-UHFFFAOYSA-N -1 3 393.466 3.718 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1F ZINC000824507054 608384887 /nfs/dbraw/zinc/38/48/87/608384887.db2.gz SLOFUWXMUIYUCF-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1F ZINC000824507054 608384889 /nfs/dbraw/zinc/38/48/89/608384889.db2.gz SLOFUWXMUIYUCF-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000825076594 608386765 /nfs/dbraw/zinc/38/67/65/608386765.db2.gz WSDUFKXBXCLERN-ZDUSSCGKSA-N -1 3 397.508 3.511 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000825076594 608386767 /nfs/dbraw/zinc/38/67/67/608386767.db2.gz WSDUFKXBXCLERN-ZDUSSCGKSA-N -1 3 397.508 3.511 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826322461 608397369 /nfs/dbraw/zinc/39/73/69/608397369.db2.gz NNDMTMFXKOPVAI-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826322461 608397371 /nfs/dbraw/zinc/39/73/71/608397371.db2.gz NNDMTMFXKOPVAI-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337522 608399992 /nfs/dbraw/zinc/39/99/92/608399992.db2.gz RKGWWELYAABVCV-SMDDNHRTSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337522 608399994 /nfs/dbraw/zinc/39/99/94/608399994.db2.gz RKGWWELYAABVCV-SMDDNHRTSA-N -1 3 387.488 3.949 20 0 GHADHM CCN(C(=O)c1cc(F)cc2cccnc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379630 608445835 /nfs/dbraw/zinc/44/58/35/608445835.db2.gz IZWQICDVHOKECV-ZDUSSCGKSA-N -1 3 390.422 3.777 20 0 GHADHM CCN(C(=O)c1cc(F)cc2cccnc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379630 608445836 /nfs/dbraw/zinc/44/58/36/608445836.db2.gz IZWQICDVHOKECV-ZDUSSCGKSA-N -1 3 390.422 3.777 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(Oc2nccs2)c1 ZINC000826466790 608448790 /nfs/dbraw/zinc/44/87/90/608448790.db2.gz UCRLKZWUJQNMAU-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(Oc2nccs2)c1 ZINC000826466790 608448791 /nfs/dbraw/zinc/44/87/91/608448791.db2.gz UCRLKZWUJQNMAU-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM CCOc1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825649832 608470353 /nfs/dbraw/zinc/47/03/53/608470353.db2.gz ZDLMLHBMEOFVEN-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM CCOc1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825649832 608470354 /nfs/dbraw/zinc/47/03/54/608470354.db2.gz ZDLMLHBMEOFVEN-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472773 608471105 /nfs/dbraw/zinc/47/11/05/608471105.db2.gz WSCHAPJAMXKRDP-UHFFFAOYSA-N -1 3 393.756 3.742 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472773 608471107 /nfs/dbraw/zinc/47/11/07/608471107.db2.gz WSCHAPJAMXKRDP-UHFFFAOYSA-N -1 3 393.756 3.742 20 0 GHADHM C[C@@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824507423 608474921 /nfs/dbraw/zinc/47/49/21/608474921.db2.gz XHNGKGQHBGTOAL-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824507423 608474923 /nfs/dbraw/zinc/47/49/23/608474923.db2.gz XHNGKGQHBGTOAL-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1Cl ZINC000826296392 608478375 /nfs/dbraw/zinc/47/83/75/608478375.db2.gz UZEOFKDFJQORII-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1Cl ZINC000826296392 608478377 /nfs/dbraw/zinc/47/83/77/608478377.db2.gz UZEOFKDFJQORII-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1ccccc1C(C)(C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826305555 608486483 /nfs/dbraw/zinc/48/64/83/608486483.db2.gz BCUQYKZDAVKKCA-UHFFFAOYSA-N -1 3 387.487 3.769 20 0 GHADHM Cc1ccccc1C(C)(C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826305555 608486484 /nfs/dbraw/zinc/48/64/84/608486484.db2.gz BCUQYKZDAVKKCA-UHFFFAOYSA-N -1 3 387.487 3.769 20 0 GHADHM CC(C)COC[C@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccco1 ZINC000824272505 608506345 /nfs/dbraw/zinc/50/63/45/608506345.db2.gz ZGDJDMYSNIDENJ-MOPGFXCFSA-N -1 3 381.480 3.841 20 0 GHADHM c1ccc(-c2nnc(CN[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)s2)cc1 ZINC000826519456 608523805 /nfs/dbraw/zinc/52/38/05/608523805.db2.gz ZEEXKZUQNNXMIV-KRWDZBQOSA-N -1 3 389.488 3.552 20 0 GHADHM CCCOc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825338504 608561492 /nfs/dbraw/zinc/56/14/92/608561492.db2.gz AMLWMWMCBLRLGP-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM CCCOc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825338504 608561494 /nfs/dbraw/zinc/56/14/94/608561494.db2.gz AMLWMWMCBLRLGP-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3ccc(-c4nnn[n-]4)cc3)cn2)c1 ZINC000826368959 608569243 /nfs/dbraw/zinc/56/92/43/608569243.db2.gz HTRYTBFTKHYJHN-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3ccc(-c4nn[n-]n4)cc3)cn2)c1 ZINC000826368959 608569244 /nfs/dbraw/zinc/56/92/44/608569244.db2.gz HTRYTBFTKHYJHN-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CCOc1ccc(OCC)c(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825642907 608573748 /nfs/dbraw/zinc/57/37/48/608573748.db2.gz FEZYTRXVCAZTQH-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCOc1ccc(OCC)c(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825642907 608573749 /nfs/dbraw/zinc/57/37/49/608573749.db2.gz FEZYTRXVCAZTQH-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H](CCc1ccccc1)C(F)(F)F ZINC000826371692 608580159 /nfs/dbraw/zinc/58/01/59/608580159.db2.gz PWFFDPSJQNGWAS-MRXNPFEDSA-N -1 3 379.361 3.659 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H](CCc1ccccc1)C(F)(F)F ZINC000826371692 608580161 /nfs/dbraw/zinc/58/01/61/608580161.db2.gz PWFFDPSJQNGWAS-MRXNPFEDSA-N -1 3 379.361 3.659 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cs2)cc1 ZINC000826288693 608669260 /nfs/dbraw/zinc/66/92/60/608669260.db2.gz SDTXLSNQNTUQPR-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cs2)cc1 ZINC000826288693 608669263 /nfs/dbraw/zinc/66/92/63/608669263.db2.gz SDTXLSNQNTUQPR-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CN(Cc1nccs1)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825980485 608720420 /nfs/dbraw/zinc/72/04/20/608720420.db2.gz BDNADEKANKYAJB-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM CN(Cc1nccs1)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825980485 608720421 /nfs/dbraw/zinc/72/04/21/608720421.db2.gz BDNADEKANKYAJB-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM CC1(c2cccc(Br)c2)CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824844234 608796133 /nfs/dbraw/zinc/79/61/33/608796133.db2.gz SUACUOHSCSETSD-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM CC1(c2cccc(Br)c2)CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824844234 608796138 /nfs/dbraw/zinc/79/61/38/608796138.db2.gz SUACUOHSCSETSD-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824338031 608819072 /nfs/dbraw/zinc/81/90/72/608819072.db2.gz NCCLRZHYVBPZTQ-NSHDSACASA-N -1 3 387.827 3.620 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824338031 608819073 /nfs/dbraw/zinc/81/90/73/608819073.db2.gz NCCLRZHYVBPZTQ-NSHDSACASA-N -1 3 387.827 3.620 20 0 GHADHM Clc1oc2ccccc2c1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826354516 608854530 /nfs/dbraw/zinc/85/45/30/608854530.db2.gz IHSKIBZUXRLVFK-SFHVURJKSA-N -1 3 395.850 3.840 20 0 GHADHM Clc1oc2ccccc2c1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826354516 608854531 /nfs/dbraw/zinc/85/45/31/608854531.db2.gz IHSKIBZUXRLVFK-SFHVURJKSA-N -1 3 395.850 3.840 20 0 GHADHM COc1cccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)c1 ZINC000826214743 609167560 /nfs/dbraw/zinc/16/75/60/609167560.db2.gz VXKCZRDEBRAJLW-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1cccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)c1 ZINC000826214743 609167562 /nfs/dbraw/zinc/16/75/62/609167562.db2.gz VXKCZRDEBRAJLW-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM Cc1cc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)c(C)o1 ZINC000826260193 609168791 /nfs/dbraw/zinc/16/87/91/609168791.db2.gz AGCCULUAJGYPLK-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM Cc1cc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)c(C)o1 ZINC000826260193 609168792 /nfs/dbraw/zinc/16/87/92/609168792.db2.gz AGCCULUAJGYPLK-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(C)C)c1 ZINC000824347577 609195935 /nfs/dbraw/zinc/19/59/35/609195935.db2.gz DXSYXPVBDGIHMV-IBGZPJMESA-N -1 3 379.464 3.786 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(C)C)c1 ZINC000824347577 609195936 /nfs/dbraw/zinc/19/59/36/609195936.db2.gz DXSYXPVBDGIHMV-IBGZPJMESA-N -1 3 379.464 3.786 20 0 GHADHM Cc1cnc([C@H](C)NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)o1 ZINC000826317684 609201022 /nfs/dbraw/zinc/20/10/22/609201022.db2.gz KZAYRASWTODXJF-HNNXBMFYSA-N -1 3 390.447 3.593 20 0 GHADHM Cc1cnc([C@H](C)NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)o1 ZINC000826317684 609201023 /nfs/dbraw/zinc/20/10/23/609201023.db2.gz KZAYRASWTODXJF-HNNXBMFYSA-N -1 3 390.447 3.593 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826452374 609232911 /nfs/dbraw/zinc/23/29/11/609232911.db2.gz QZPQOHKLAZVKJH-UHFFFAOYSA-N -1 3 382.427 3.951 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826452374 609232912 /nfs/dbraw/zinc/23/29/12/609232912.db2.gz QZPQOHKLAZVKJH-UHFFFAOYSA-N -1 3 382.427 3.951 20 0 GHADHM c1cc(OC[C@H]2CCCO2)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517377 609238148 /nfs/dbraw/zinc/23/81/48/609238148.db2.gz AAOOKOQUWCRMGU-CTNGQTDRSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(OC[C@H]2CCCO2)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517377 609238149 /nfs/dbraw/zinc/23/81/49/609238149.db2.gz AAOOKOQUWCRMGU-CTNGQTDRSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(OC[C@H]2CCCO2)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517380 609238204 /nfs/dbraw/zinc/23/82/04/609238204.db2.gz AAOOKOQUWCRMGU-TZIWHRDSSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(OC[C@H]2CCCO2)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517380 609238205 /nfs/dbraw/zinc/23/82/05/609238205.db2.gz AAOOKOQUWCRMGU-TZIWHRDSSA-N -1 3 391.475 3.914 20 0 GHADHM Cc1ccc(Br)c2c1N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826281550 609251996 /nfs/dbraw/zinc/25/19/96/609251996.db2.gz YSABTNGBVCDSIG-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1ccc(Br)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826281550 609251998 /nfs/dbraw/zinc/25/19/98/609251998.db2.gz YSABTNGBVCDSIG-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000824093072 609272781 /nfs/dbraw/zinc/27/27/81/609272781.db2.gz DFSMZFIYEUPZQC-LJQANCHMSA-N -1 3 390.491 3.885 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000824093072 609272783 /nfs/dbraw/zinc/27/27/83/609272783.db2.gz DFSMZFIYEUPZQC-LJQANCHMSA-N -1 3 390.491 3.885 20 0 GHADHM C[C@@H]1CN(c2ccc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CCO1 ZINC000824991476 609280086 /nfs/dbraw/zinc/28/00/86/609280086.db2.gz BLAPLQYAYRBMSS-VFNWGFHPSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@@H]1CN(c2ccc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)CCO1 ZINC000824991476 609280088 /nfs/dbraw/zinc/28/00/88/609280088.db2.gz BLAPLQYAYRBMSS-VFNWGFHPSA-N -1 3 390.491 3.581 20 0 GHADHM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826215200 609286744 /nfs/dbraw/zinc/28/67/44/609286744.db2.gz JCDWBKMUBLDYMN-KRWDZBQOSA-N -1 3 383.839 3.506 20 0 GHADHM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826215200 609286745 /nfs/dbraw/zinc/28/67/45/609286745.db2.gz JCDWBKMUBLDYMN-KRWDZBQOSA-N -1 3 383.839 3.506 20 0 GHADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825880235 609292315 /nfs/dbraw/zinc/29/23/15/609292315.db2.gz ZUWNPBVVHSESJC-SFHVURJKSA-N -1 3 396.882 3.563 20 0 GHADHM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825880235 609292317 /nfs/dbraw/zinc/29/23/17/609292317.db2.gz ZUWNPBVVHSESJC-SFHVURJKSA-N -1 3 396.882 3.563 20 0 GHADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427563 609292373 /nfs/dbraw/zinc/29/23/73/609292373.db2.gz UIARZHUZKVLEHI-CYBMUJFWSA-N -1 3 381.745 3.554 20 0 GHADHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427563 609292375 /nfs/dbraw/zinc/29/23/75/609292375.db2.gz UIARZHUZKVLEHI-CYBMUJFWSA-N -1 3 381.745 3.554 20 0 GHADHM CCCC[C@@H](COC)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825261132 609320937 /nfs/dbraw/zinc/32/09/37/609320937.db2.gz VAXRAXOHQKQAMX-HNNXBMFYSA-N -1 3 395.463 3.594 20 0 GHADHM CCCC[C@@H](COC)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825261132 609320939 /nfs/dbraw/zinc/32/09/39/609320939.db2.gz VAXRAXOHQKQAMX-HNNXBMFYSA-N -1 3 395.463 3.594 20 0 GHADHM C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824625743 609325860 /nfs/dbraw/zinc/32/58/60/609325860.db2.gz JUHZDECRFULVJY-ZDUSSCGKSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824625743 609325862 /nfs/dbraw/zinc/32/58/62/609325862.db2.gz JUHZDECRFULVJY-ZDUSSCGKSA-N -1 3 382.443 3.573 20 0 GHADHM COCCC[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826156200 609327547 /nfs/dbraw/zinc/32/75/47/609327547.db2.gz SVJMWAHGDCPTIG-AWEZNQCLSA-N -1 3 382.420 3.627 20 0 GHADHM COCCC[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826156200 609327549 /nfs/dbraw/zinc/32/75/49/609327549.db2.gz SVJMWAHGDCPTIG-AWEZNQCLSA-N -1 3 382.420 3.627 20 0 GHADHM C[C@H](NCc1ccnc(OC2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627292 609332232 /nfs/dbraw/zinc/33/22/32/609332232.db2.gz WGCCIORTXYWHGB-AWEZNQCLSA-N -1 3 396.470 3.963 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826180113 609336375 /nfs/dbraw/zinc/33/63/75/609336375.db2.gz SMBCLIYRQNXKCI-MNOVXSKESA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826180113 609336376 /nfs/dbraw/zinc/33/63/76/609336376.db2.gz SMBCLIYRQNXKCI-MNOVXSKESA-N -1 3 389.406 3.574 20 0 GHADHM Cc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826292385 609340712 /nfs/dbraw/zinc/34/07/12/609340712.db2.gz SUHDOUVLTIDGON-NSHDSACASA-N -1 3 377.370 3.766 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825050104 609341600 /nfs/dbraw/zinc/34/16/00/609341600.db2.gz GUUMFYGXFPKLLV-KBPBESRZSA-N -1 3 396.470 3.841 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000826186489 609380841 /nfs/dbraw/zinc/38/08/41/609380841.db2.gz VMFBWESLKWCRBJ-UHFFFAOYSA-N -1 3 381.417 3.758 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000826186489 609380842 /nfs/dbraw/zinc/38/08/42/609380842.db2.gz VMFBWESLKWCRBJ-UHFFFAOYSA-N -1 3 381.417 3.758 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824086837 609397780 /nfs/dbraw/zinc/39/77/80/609397780.db2.gz NSBLWPKUYPLGCS-LLVKDONJSA-N -1 3 375.782 3.617 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824086837 609397782 /nfs/dbraw/zinc/39/77/82/609397782.db2.gz NSBLWPKUYPLGCS-LLVKDONJSA-N -1 3 375.782 3.617 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000824917882 609402945 /nfs/dbraw/zinc/40/29/45/609402945.db2.gz OOOVJJBWTRUUHF-VLIAUNLRSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000824917882 609402946 /nfs/dbraw/zinc/40/29/46/609402946.db2.gz OOOVJJBWTRUUHF-VLIAUNLRSA-N -1 3 384.484 3.698 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)C1 ZINC000824914938 609405689 /nfs/dbraw/zinc/40/56/89/609405689.db2.gz AHEKKBSBHNZLLW-PIGZYNQJSA-N -1 3 394.401 3.930 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)C1 ZINC000824914938 609405691 /nfs/dbraw/zinc/40/56/91/609405691.db2.gz AHEKKBSBHNZLLW-PIGZYNQJSA-N -1 3 394.401 3.930 20 0 GHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)[C@@H]2C ZINC000826212377 609426893 /nfs/dbraw/zinc/42/68/93/609426893.db2.gz OQDHMOGWEVQUSO-NWDGAFQWSA-N -1 3 397.866 3.677 20 0 GHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)[C@@H]2C ZINC000826212377 609426895 /nfs/dbraw/zinc/42/68/95/609426895.db2.gz OQDHMOGWEVQUSO-NWDGAFQWSA-N -1 3 397.866 3.677 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000825313834 609427833 /nfs/dbraw/zinc/42/78/33/609427833.db2.gz SGSDTBYZNXLAFE-KRWDZBQOSA-N -1 3 377.492 3.793 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000825313834 609427834 /nfs/dbraw/zinc/42/78/34/609427834.db2.gz SGSDTBYZNXLAFE-KRWDZBQOSA-N -1 3 377.492 3.793 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826456992 609435613 /nfs/dbraw/zinc/43/56/13/609435613.db2.gz HQBRAEWUXALSIP-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826456992 609435615 /nfs/dbraw/zinc/43/56/15/609435615.db2.gz HQBRAEWUXALSIP-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H](NC(=O)NCc1ccco1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499058 609441295 /nfs/dbraw/zinc/44/12/95/609441295.db2.gz NEIPKIWFACYPHJ-AWEZNQCLSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NC(=O)NCc1ccco1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499058 609441296 /nfs/dbraw/zinc/44/12/96/609441296.db2.gz NEIPKIWFACYPHJ-AWEZNQCLSA-N -1 3 388.431 3.687 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361192 609444625 /nfs/dbraw/zinc/44/46/25/609444625.db2.gz CYPUSMZWFHSIPE-IAGOWNOFSA-N -1 3 377.492 3.963 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361192 609444627 /nfs/dbraw/zinc/44/46/27/609444627.db2.gz CYPUSMZWFHSIPE-IAGOWNOFSA-N -1 3 377.492 3.963 20 0 GHADHM Fc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1F ZINC000826374571 609449220 /nfs/dbraw/zinc/44/92/20/609449220.db2.gz DVIMXTGKRHQJFV-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1F ZINC000826374571 609449222 /nfs/dbraw/zinc/44/92/22/609449222.db2.gz DVIMXTGKRHQJFV-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM CC(C)OC(=O)O[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824308990 609449944 /nfs/dbraw/zinc/44/99/44/609449944.db2.gz DBQZQPOJNFEENU-MRVPVSSYSA-N -1 3 376.360 3.885 20 0 GHADHM CC(C)OC(=O)O[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824308990 609449946 /nfs/dbraw/zinc/44/99/46/609449946.db2.gz DBQZQPOJNFEENU-MRVPVSSYSA-N -1 3 376.360 3.885 20 0 GHADHM CCc1nnc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000825762771 609450419 /nfs/dbraw/zinc/45/04/19/609450419.db2.gz IBQGMKDDDGBHAH-ZIAGYGMSSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1nnc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000825762771 609450421 /nfs/dbraw/zinc/45/04/21/609450421.db2.gz IBQGMKDDDGBHAH-ZIAGYGMSSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1noc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825771751 609450461 /nfs/dbraw/zinc/45/04/61/609450461.db2.gz PLTZGVPVRJBNKU-UONOGXRCSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1noc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825771751 609450464 /nfs/dbraw/zinc/45/04/64/609450464.db2.gz PLTZGVPVRJBNKU-UONOGXRCSA-N -1 3 389.463 3.891 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826118080 609450638 /nfs/dbraw/zinc/45/06/38/609450638.db2.gz XIZSHFJIXGUSAI-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826118080 609450641 /nfs/dbraw/zinc/45/06/41/609450641.db2.gz XIZSHFJIXGUSAI-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM COCc1nc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000826165679 609451223 /nfs/dbraw/zinc/45/12/23/609451223.db2.gz FFZNIYQNAFIOER-UHFFFAOYSA-N -1 3 387.412 3.781 20 0 GHADHM COCc1nc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000826165679 609451225 /nfs/dbraw/zinc/45/12/25/609451225.db2.gz FFZNIYQNAFIOER-UHFFFAOYSA-N -1 3 387.412 3.781 20 0 GHADHM Cc1noc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826337776 609451545 /nfs/dbraw/zinc/45/15/45/609451545.db2.gz ATZYTECCZZJBBN-QWHCGFSZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1noc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826337776 609451547 /nfs/dbraw/zinc/45/15/47/609451547.db2.gz ATZYTECCZZJBBN-QWHCGFSZSA-N -1 3 375.436 3.637 20 0 GHADHM O=C(NCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCC1 ZINC000826436864 609453989 /nfs/dbraw/zinc/45/39/89/609453989.db2.gz LZXFDMBIDPNEQJ-UHFFFAOYSA-N -1 3 399.442 3.674 20 0 GHADHM O=C(NCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000826436864 609453991 /nfs/dbraw/zinc/45/39/91/609453991.db2.gz LZXFDMBIDPNEQJ-UHFFFAOYSA-N -1 3 399.442 3.674 20 0 GHADHM CCC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOCC1 ZINC000825164944 609457420 /nfs/dbraw/zinc/45/74/20/609457420.db2.gz NKRIKCCMKFUSHO-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CCC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000825164944 609457422 /nfs/dbraw/zinc/45/74/22/609457422.db2.gz NKRIKCCMKFUSHO-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccccc2)nc1 ZINC000824324815 609478951 /nfs/dbraw/zinc/47/89/51/609478951.db2.gz WJSAWDFXJFJCHF-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM CC(C)OCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000824309696 609482641 /nfs/dbraw/zinc/48/26/41/609482641.db2.gz VTGWNQSRNQYLCZ-UHFFFAOYSA-N -1 3 379.464 3.605 20 0 GHADHM CC(C)OCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000824309696 609482644 /nfs/dbraw/zinc/48/26/44/609482644.db2.gz VTGWNQSRNQYLCZ-UHFFFAOYSA-N -1 3 379.464 3.605 20 0 GHADHM Cc1n[nH]c(C)c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826322050 609484459 /nfs/dbraw/zinc/48/44/59/609484459.db2.gz XXJGUKGRDVCEHP-UHFFFAOYSA-N -1 3 393.426 3.537 20 0 GHADHM Cc1n[nH]c(C)c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826322050 609484461 /nfs/dbraw/zinc/48/44/61/609484461.db2.gz XXJGUKGRDVCEHP-UHFFFAOYSA-N -1 3 393.426 3.537 20 0 GHADHM C[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824929474 609489228 /nfs/dbraw/zinc/48/92/28/609489228.db2.gz XWLWOTRICHXQBG-MGPUTAFESA-N -1 3 393.466 3.971 20 0 GHADHM C[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824929474 609489229 /nfs/dbraw/zinc/48/92/29/609489229.db2.gz XWLWOTRICHXQBG-MGPUTAFESA-N -1 3 393.466 3.971 20 0 GHADHM Cc1ccc2oc(SCc3ccc(-c4nnn[n-]4)cc3OC(F)F)nc2n1 ZINC000826295373 609490648 /nfs/dbraw/zinc/49/06/48/609490648.db2.gz DXZRTWRQTABTLH-UHFFFAOYSA-N -1 3 390.375 3.605 20 0 GHADHM Cc1ccc2oc(SCc3ccc(-c4nn[n-]n4)cc3OC(F)F)nc2n1 ZINC000826295373 609490650 /nfs/dbraw/zinc/49/06/50/609490650.db2.gz DXZRTWRQTABTLH-UHFFFAOYSA-N -1 3 390.375 3.605 20 0 GHADHM Cc1ncc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC000826330465 609491278 /nfs/dbraw/zinc/49/12/78/609491278.db2.gz VLZXYUBBYPTHIB-UHFFFAOYSA-N -1 3 389.463 3.760 20 0 GHADHM Cc1ncc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC000826330465 609491280 /nfs/dbraw/zinc/49/12/80/609491280.db2.gz VLZXYUBBYPTHIB-UHFFFAOYSA-N -1 3 389.463 3.760 20 0 GHADHM Cc1cc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)nn1[C@H](C)C1CC1 ZINC000826270139 609492521 /nfs/dbraw/zinc/49/25/21/609492521.db2.gz MVBQTGLZLXUGQV-GFCCVEGCSA-N -1 3 397.487 3.543 20 0 GHADHM Cc1cc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)nn1[C@H](C)C1CC1 ZINC000826270139 609492523 /nfs/dbraw/zinc/49/25/23/609492523.db2.gz MVBQTGLZLXUGQV-GFCCVEGCSA-N -1 3 397.487 3.543 20 0 GHADHM Cc1sc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c(-c2nnn[n-]2)c1C ZINC000826349403 609509182 /nfs/dbraw/zinc/50/91/82/609509182.db2.gz HAJVEOCECNOOLZ-HNNXBMFYSA-N -1 3 383.477 3.691 20 0 GHADHM Cc1sc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c(-c2nn[n-]n2)c1C ZINC000826349403 609509184 /nfs/dbraw/zinc/50/91/84/609509184.db2.gz HAJVEOCECNOOLZ-HNNXBMFYSA-N -1 3 383.477 3.691 20 0 GHADHM O=C(CSCc1c(F)cccc1F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826419930 609520305 /nfs/dbraw/zinc/52/03/05/609520305.db2.gz RLMGPMWZKYUZCY-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1c(F)cccc1F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826419930 609520307 /nfs/dbraw/zinc/52/03/07/609520307.db2.gz RLMGPMWZKYUZCY-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCO1 ZINC000825182894 609532005 /nfs/dbraw/zinc/53/20/05/609532005.db2.gz MDOLPLPOBUJQLI-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCO1 ZINC000825182894 609532008 /nfs/dbraw/zinc/53/20/08/609532008.db2.gz MDOLPLPOBUJQLI-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM COCC[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826154566 609588111 /nfs/dbraw/zinc/58/81/11/609588111.db2.gz RTBQCOMVMJIJGQ-GFCCVEGCSA-N -1 3 381.358 3.538 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3c(Cl)cccc3-c3nnn[n-]3)n2)cc1 ZINC000826373414 609588911 /nfs/dbraw/zinc/58/89/11/609588911.db2.gz LIDCHGJMNZWGAT-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3c(Cl)cccc3-c3nn[n-]n3)n2)cc1 ZINC000826373414 609588913 /nfs/dbraw/zinc/58/89/13/609588913.db2.gz LIDCHGJMNZWGAT-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826251554 609591241 /nfs/dbraw/zinc/59/12/41/609591241.db2.gz STULCJLBEXXONF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826251554 609591244 /nfs/dbraw/zinc/59/12/44/609591244.db2.gz STULCJLBEXXONF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826403147 609614722 /nfs/dbraw/zinc/61/47/22/609614722.db2.gz KZLVKWRNORPBFV-VURMDHGXSA-N -1 3 391.818 3.825 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826403147 609614723 /nfs/dbraw/zinc/61/47/23/609614723.db2.gz KZLVKWRNORPBFV-VURMDHGXSA-N -1 3 391.818 3.825 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826465834 609623589 /nfs/dbraw/zinc/62/35/89/609623589.db2.gz FRRMNOBOJVWDNO-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826465834 609623591 /nfs/dbraw/zinc/62/35/91/609623591.db2.gz FRRMNOBOJVWDNO-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H](c2ccco2)C1 ZINC000683483417 837391069 /nfs/dbraw/zinc/39/10/69/837391069.db2.gz FPEFCLXEUMCWGS-NSHDSACASA-N -1 3 387.233 3.513 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@H](c2ccco2)C1 ZINC000683484418 837392382 /nfs/dbraw/zinc/39/23/82/837392382.db2.gz UKPIZQQXDHGAMO-NSHDSACASA-N -1 3 392.333 3.649 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000533922810 837428139 /nfs/dbraw/zinc/42/81/39/837428139.db2.gz UIJXXMXUFUPRFU-VIFPVBQESA-N -1 3 392.242 3.630 20 0 GHADHM C[C@@H](C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000163153485 837518477 /nfs/dbraw/zinc/51/84/77/837518477.db2.gz DHTXPWAGRAUYMQ-MRXNPFEDSA-N -1 3 395.484 3.734 20 0 GHADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1cccnc1C(F)(F)F ZINC000376244599 837568564 /nfs/dbraw/zinc/56/85/64/837568564.db2.gz VPRSJCSHNHVDMH-CYBMUJFWSA-N -1 3 399.419 3.625 20 0 GHADHM COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000108941219 834645627 /nfs/dbraw/zinc/64/56/27/834645627.db2.gz XBAZRTKUZOAPRB-KRWDZBQOSA-N -1 3 379.416 3.818 20 0 GHADHM O=S(=O)([N-]Cc1cn2cc(Cl)ccc2n1)c1c(Cl)cccc1Cl ZINC000044790372 834664161 /nfs/dbraw/zinc/66/41/61/834664161.db2.gz HDDVFKKZBAJVHM-UHFFFAOYSA-N -1 3 390.679 3.773 20 0 GHADHM O=C(CN(Cc1cccnc1)C(=O)c1ccccc1[O-])Nc1ccc(Cl)cc1 ZINC000094132444 834727052 /nfs/dbraw/zinc/72/70/52/834727052.db2.gz ATMNSPURWKNXQQ-UHFFFAOYSA-N -1 3 395.846 3.722 20 0 GHADHM O=C([O-])c1cccc(CNCc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000683176790 834932364 /nfs/dbraw/zinc/93/23/64/834932364.db2.gz RQQXOKMFYBRFBS-UHFFFAOYSA-N -1 3 392.249 3.598 20 0 GHADHM CSCc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511276747 834950537 /nfs/dbraw/zinc/95/05/37/834950537.db2.gz JHBGSOZZRUGXCJ-UHFFFAOYSA-N -1 3 376.279 3.634 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)c(F)c1F ZINC001213173955 835139980 /nfs/dbraw/zinc/13/99/80/835139980.db2.gz QPRFFVWCMVWNMP-NSHDSACASA-N -1 3 396.242 3.592 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000131440497 835203728 /nfs/dbraw/zinc/20/37/28/835203728.db2.gz ZYRQSUSLVAXDPO-YGRLFVJLSA-N -1 3 399.310 3.528 20 0 GHADHM O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000646890939 835209635 /nfs/dbraw/zinc/20/96/35/835209635.db2.gz NWGKVTMFUZHOEQ-UHFFFAOYSA-N -1 3 396.834 3.939 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3ccsc3)ns2)nnn1-c1ccc(C)cc1 ZINC000109110255 835294093 /nfs/dbraw/zinc/29/40/93/835294093.db2.gz UEPZHTLXFYCENH-UHFFFAOYSA-N -1 3 382.474 3.716 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(c2ccccc2F)CC1 ZINC000548815071 835335558 /nfs/dbraw/zinc/33/55/58/835335558.db2.gz ROZIRPZYHKXRBK-UHFFFAOYSA-N -1 3 386.373 3.965 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000151461333 835446912 /nfs/dbraw/zinc/44/69/12/835446912.db2.gz DSIITPQGYJGCQO-BBATYDOGSA-N -1 3 393.409 3.558 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647375003 835508893 /nfs/dbraw/zinc/50/88/93/835508893.db2.gz QAPBQZKGNRQLJQ-IBGZPJMESA-N -1 3 386.536 3.834 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CN(C)Cc2ccccc2)C(C)C)c(F)c1 ZINC001211608344 835509145 /nfs/dbraw/zinc/50/91/45/835509145.db2.gz DSWHXHXCSNHGNB-LJQANCHMSA-N -1 3 396.503 3.708 20 0 GHADHM O=C(COC/C=C/c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151545371 835513947 /nfs/dbraw/zinc/51/39/47/835513947.db2.gz ODPNSPHTADUYAE-QPJJXVBHSA-N -1 3 376.250 3.501 20 0 GHADHM O=C(Cc1ccccc1Br)NCc1ccc([O-])c(Br)c1 ZINC000151548451 835514604 /nfs/dbraw/zinc/51/46/04/835514604.db2.gz IFDFSDCWFJVVOE-UHFFFAOYSA-N -1 3 399.082 3.776 20 0 GHADHM O=C(CSc1nc2ccccc2o1)NCc1ccc([O-])c(Br)c1 ZINC000151549242 835515314 /nfs/dbraw/zinc/51/53/14/835515314.db2.gz ZTTNKTSMWFRMHN-UHFFFAOYSA-N -1 3 393.262 3.704 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@@H](c1ccccc1)N(C)C ZINC000584071598 835545573 /nfs/dbraw/zinc/54/55/73/835545573.db2.gz MISQIQKIFBVDJQ-WFASDCNBSA-N -1 3 387.534 3.501 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151586747 835559693 /nfs/dbraw/zinc/55/96/93/835559693.db2.gz YJXVJTKBHSYDMK-NSHDSACASA-N -1 3 396.306 3.960 20 0 GHADHM COc1ccc(SCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151586668 835559827 /nfs/dbraw/zinc/55/98/27/835559827.db2.gz XHBZUUGOHUDDLZ-UHFFFAOYSA-N -1 3 382.279 3.572 20 0 GHADHM Cc1cnn(-c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)c1 ZINC000151590330 835563053 /nfs/dbraw/zinc/56/30/53/835563053.db2.gz LDYNYAKWIMRWGF-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC000511248119 835563695 /nfs/dbraw/zinc/56/36/95/835563695.db2.gz DPIFTSCXTBNNBZ-UHFFFAOYSA-N -1 3 375.837 3.521 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547711914 835593413 /nfs/dbraw/zinc/59/34/13/835593413.db2.gz CFSUOOBCDWOLIE-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(F)cc4n[n-]nc43)s2)cc1 ZINC000433376981 844072605 /nfs/dbraw/zinc/07/26/05/844072605.db2.gz LDBUDJNTRFRBGR-UHFFFAOYSA-N -1 3 382.420 3.764 20 0 GHADHM CCO[C@H](C)c1nc(CC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000151629022 835666367 /nfs/dbraw/zinc/66/63/67/835666367.db2.gz DFRPEKTUQGDLOL-SNVBAGLBSA-N -1 3 399.310 3.568 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C(C)=C\c2ccc(F)cc2)cc1OC ZINC000255742057 835703956 /nfs/dbraw/zinc/70/39/56/835703956.db2.gz QIEMDSOHGHFXQU-QBFSEMIESA-N -1 3 392.452 3.638 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCC1 ZINC000683260947 835779888 /nfs/dbraw/zinc/77/98/88/835779888.db2.gz HKJUOXYHRSNAED-MRVPVSSYSA-N -1 3 383.673 3.862 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)cc1F ZINC000513005435 844088172 /nfs/dbraw/zinc/08/81/72/844088172.db2.gz WAQVOYRNBWSLAK-RDTXWAMCSA-N -1 3 381.444 3.719 20 0 GHADHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cn(C2CCC2)nn1 ZINC000648216704 835787266 /nfs/dbraw/zinc/78/72/66/835787266.db2.gz RVFABPGVZPSOHP-UHFFFAOYSA-N -1 3 390.469 3.538 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccco1 ZINC000109311550 835797937 /nfs/dbraw/zinc/79/79/37/835797937.db2.gz BGPGHBDTKWACPT-AWEZNQCLSA-N -1 3 381.270 3.561 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000547739529 835897498 /nfs/dbraw/zinc/89/74/98/835897498.db2.gz GWIPWFIHSIRRHT-OCCSQVGLSA-N -1 3 388.777 3.762 20 0 GHADHM COCCOCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000584384597 835953799 /nfs/dbraw/zinc/95/37/99/835953799.db2.gz MTCOVDUUPVLDMM-UHFFFAOYSA-N -1 3 380.238 3.570 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](c3cccs3)N(C)C)c12 ZINC000584472192 836044447 /nfs/dbraw/zinc/04/44/47/836044447.db2.gz FHNRYBJXKAFNBI-LLVKDONJSA-N -1 3 376.507 3.783 20 0 GHADHM O=S(=O)([N-]c1ccncc1F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000180170174 836101207 /nfs/dbraw/zinc/10/12/07/836101207.db2.gz KFBNJVHHJDJBTH-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM C[C@@H](Cc1ccco1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000612381352 836142911 /nfs/dbraw/zinc/14/29/11/836142911.db2.gz CBZZIFLIQOXYNU-ZDUSSCGKSA-N -1 3 390.867 3.695 20 0 GHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000109425597 836155393 /nfs/dbraw/zinc/15/53/93/836155393.db2.gz IITIJHUJLISHRQ-UHFFFAOYSA-N -1 3 381.457 3.581 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CCCC[C@H]2F)CC1 ZINC000413781031 836317419 /nfs/dbraw/zinc/31/74/19/836317419.db2.gz JTOQQRAATQYGGF-HUUCEWRRSA-N -1 3 397.878 3.686 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CCC(O)CC3)CC2)c(Br)c1 ZINC000570058083 836334373 /nfs/dbraw/zinc/33/43/73/836334373.db2.gz MEXHJPPZUNKKSH-UHFFFAOYSA-N -1 3 382.298 3.664 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000892505581 836468820 /nfs/dbraw/zinc/46/88/20/836468820.db2.gz COXWVZJIOMGARM-LLVKDONJSA-N -1 3 390.281 3.749 20 0 GHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cn(Cc2ccccc2)nn1 ZINC000175250781 836728539 /nfs/dbraw/zinc/72/85/39/836728539.db2.gz UULAWVABSCNQHE-UHFFFAOYSA-N -1 3 393.191 3.619 20 0 GHADHM C[C@@H](C#N)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000023416179 837007936 /nfs/dbraw/zinc/00/79/36/837007936.db2.gz PIZLLUPOAPCINX-JTQLQIEISA-N -1 3 399.255 3.863 20 0 GHADHM Cc1ccc(Br)c(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000414008475 837098394 /nfs/dbraw/zinc/09/83/94/837098394.db2.gz RMHVYPKIZWLYKA-UHFFFAOYSA-N -1 3 392.297 3.789 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C4CC4)c(C)c3)cc2C[C@H]1C ZINC000547822540 837101842 /nfs/dbraw/zinc/10/18/42/837101842.db2.gz ZOOFOUUUBRZBPO-CQSZACIVSA-N -1 3 384.501 3.971 20 0 GHADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000685912238 837132817 /nfs/dbraw/zinc/13/28/17/837132817.db2.gz HPHJSRDKIXSWMT-UHFFFAOYSA-N -1 3 384.501 3.915 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCc2ccc(C)s2)cc1OC ZINC000176028948 837138899 /nfs/dbraw/zinc/13/88/99/837138899.db2.gz UDFMOXVHDZLWIF-UHFFFAOYSA-N -1 3 396.534 3.788 20 0 GHADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(F)cc2n[n-]nc21 ZINC000431723485 837139823 /nfs/dbraw/zinc/13/98/23/837139823.db2.gz KAIKWORCTFMSCG-UHFFFAOYSA-N -1 3 376.395 3.549 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c(C)c1 ZINC000176207248 837220922 /nfs/dbraw/zinc/22/09/22/837220922.db2.gz POFKQWUERMHQCN-UHFFFAOYSA-N -1 3 385.445 3.732 20 0 GHADHM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000579916046 837325659 /nfs/dbraw/zinc/32/56/59/837325659.db2.gz GWCWLVKAKHUXAZ-FQEVSTJZSA-N -1 3 377.444 3.820 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1nccs1 ZINC000186678459 837366010 /nfs/dbraw/zinc/36/60/10/837366010.db2.gz WWPVQALLJJFLKM-QMMMGPOBSA-N -1 3 395.731 3.641 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000549340127 838000595 /nfs/dbraw/zinc/00/05/95/838000595.db2.gz VJCJYERIVRNLFJ-ZALBZXLWSA-N -1 3 398.297 3.848 20 0 GHADHM Cc1cccc(COC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000728723535 838096112 /nfs/dbraw/zinc/09/61/12/838096112.db2.gz BCFPXRGLABPQJA-UHFFFAOYSA-N -1 3 388.420 3.620 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3OCc3c(C)noc3C)n[n-]2)o1 ZINC000181874093 838163001 /nfs/dbraw/zinc/16/30/01/838163001.db2.gz IFFNXPZZIUPAMZ-UHFFFAOYSA-N -1 3 393.403 3.809 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000177751033 838214051 /nfs/dbraw/zinc/21/40/51/838214051.db2.gz ZTLAYVVENHBERF-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)cc1 ZINC000031257293 838245561 /nfs/dbraw/zinc/24/55/61/838245561.db2.gz CMDFFYOSSFMPMF-UHFFFAOYSA-N -1 3 393.443 3.759 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000650975484 838491186 /nfs/dbraw/zinc/49/11/86/838491186.db2.gz VTVOXRUNIGLRJF-UHFFFAOYSA-N -1 3 379.464 3.655 20 0 GHADHM CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000031759726 838504314 /nfs/dbraw/zinc/50/43/14/838504314.db2.gz UUOFFQPTDSLNIB-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000179485249 838540356 /nfs/dbraw/zinc/54/03/56/838540356.db2.gz UJQWNCOCELEWHA-INIZCTEOSA-N -1 3 386.206 3.757 20 0 GHADHM [O-]C(=Cc1nc(-c2ccccc2N2CCOCC2)no1)c1ccccc1Cl ZINC001211647350 838556539 /nfs/dbraw/zinc/55/65/39/838556539.db2.gz LEWYHKVVOILTNY-UHFFFAOYSA-N -1 3 383.835 3.652 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c([O-])c1 ZINC000180720669 838572451 /nfs/dbraw/zinc/57/24/51/838572451.db2.gz ZTGOBUPSHSGOMV-KRWDZBQOSA-N -1 3 381.350 3.633 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000180851601 838573254 /nfs/dbraw/zinc/57/32/54/838573254.db2.gz YYXKDAURJQBLBJ-CYBMUJFWSA-N -1 3 399.834 3.821 20 0 GHADHM CO[C@H](CC(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000416121980 838583540 /nfs/dbraw/zinc/58/35/40/838583540.db2.gz MFXHUIOOZWCQCE-LJQANCHMSA-N -1 3 390.505 3.795 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN4CC[C@@H](C5CC5)C4)nc(=O)c3s2)cc1 ZINC000535726961 844351154 /nfs/dbraw/zinc/35/11/54/844351154.db2.gz ZKGLEDMIFUQOBU-OAHLLOKOSA-N -1 3 381.501 3.892 20 0 GHADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000414637392 838713180 /nfs/dbraw/zinc/71/31/80/838713180.db2.gz MBTDPPRSQJDWEK-VGSWGCGISA-N -1 3 381.520 3.821 20 0 GHADHM Cc1ncccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182539969 838752731 /nfs/dbraw/zinc/75/27/31/838752731.db2.gz PALRHLBEBNSDDA-HXUWFJFHSA-N -1 3 375.428 3.596 20 0 GHADHM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1O ZINC000182618507 838757666 /nfs/dbraw/zinc/75/76/66/838757666.db2.gz DQRPWPCQYVPFTM-FQEVSTJZSA-N -1 3 390.439 3.906 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)NN=c1cncc(Cl)[n-]1 ZINC000024685944 838787296 /nfs/dbraw/zinc/78/72/96/838787296.db2.gz UHLQBSOLODUDND-UHFFFAOYSA-N -1 3 381.867 3.978 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2CC(F)(F)F)c([O-])c1 ZINC000182871736 838836483 /nfs/dbraw/zinc/83/64/83/838836483.db2.gz ITNLQDPHBVOCER-UHFFFAOYSA-N -1 3 380.366 3.564 20 0 GHADHM Cc1ccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000182875507 838837276 /nfs/dbraw/zinc/83/72/76/838837276.db2.gz GRCMVWQPTRSZRH-OAQYLSRUSA-N -1 3 392.455 3.813 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)s2)o1 ZINC000183259216 838920120 /nfs/dbraw/zinc/92/01/20/838920120.db2.gz MXQCBOAIXXRDBP-UHFFFAOYSA-N -1 3 396.468 3.620 20 0 GHADHM O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052384810 844390282 /nfs/dbraw/zinc/39/02/82/844390282.db2.gz DHZNNDBRJDIQDR-HXUWFJFHSA-N -1 3 394.471 3.957 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363848875 839244531 /nfs/dbraw/zinc/24/45/31/839244531.db2.gz ZLEGRYRGDANISZ-GOSISDBHSA-N -1 3 394.515 3.920 20 0 GHADHM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000473432551 844424053 /nfs/dbraw/zinc/42/40/53/844424053.db2.gz KKMMYYMIOVKRTN-UHFFFAOYSA-N -1 3 383.473 3.695 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@H](C)O1 ZINC000549241420 839495628 /nfs/dbraw/zinc/49/56/28/839495628.db2.gz PJMQGWSMAFWZTL-ZSBIGDGJSA-N -1 3 383.407 3.717 20 0 GHADHM O=c1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)nc(C2CC2)[n-]1 ZINC000584575582 839497275 /nfs/dbraw/zinc/49/72/75/839497275.db2.gz JCEGMYAUQOHLOU-INIZCTEOSA-N -1 3 395.381 3.532 20 0 GHADHM Cc1ccccc1CN1CCN(c2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000580650427 839951553 /nfs/dbraw/zinc/95/15/53/839951553.db2.gz XQYBARVHYHAERY-UHFFFAOYSA-N -1 3 375.472 3.872 20 0 GHADHM O=C([N-]c1nc(C2CC2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000025563145 840295153 /nfs/dbraw/zinc/29/51/53/840295153.db2.gz KIHBDDIGBNYOSW-UHFFFAOYSA-N -1 3 397.547 3.509 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3[nH]c4ccc(Br)cc4c3C2)n1 ZINC000684093930 840325698 /nfs/dbraw/zinc/32/56/98/840325698.db2.gz BAEQTNUURBMEKA-NSHDSACASA-N -1 3 387.281 3.854 20 0 GHADHM O=c1cc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)nc(C2CC2)[n-]1 ZINC000417053475 840401712 /nfs/dbraw/zinc/40/17/12/840401712.db2.gz GNDYULJCLGHURP-UHFFFAOYSA-N -1 3 375.354 3.876 20 0 GHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000525748992 840421421 /nfs/dbraw/zinc/42/14/21/840421421.db2.gz VVKVVVYJRXKVNC-SECBINFHSA-N -1 3 391.191 3.793 20 0 GHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000525748992 840421423 /nfs/dbraw/zinc/42/14/23/840421423.db2.gz VVKVVVYJRXKVNC-SECBINFHSA-N -1 3 391.191 3.793 20 0 GHADHM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(F)cc2n[n-]nc21 ZINC000581003625 840581763 /nfs/dbraw/zinc/58/17/63/840581763.db2.gz WHOZECDLHZWKGQ-QGZVFWFLSA-N -1 3 388.830 3.648 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581021270 840597164 /nfs/dbraw/zinc/59/71/64/840597164.db2.gz UYWMZBURUSBSSD-ZDUSSCGKSA-N -1 3 389.839 3.523 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)cc1F ZINC000581077300 840676881 /nfs/dbraw/zinc/67/68/81/840676881.db2.gz KTAMQRYCOUXSEK-NYHFZMIOSA-N -1 3 395.434 3.973 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[n-]1 ZINC000432093860 840682602 /nfs/dbraw/zinc/68/26/02/840682602.db2.gz LSZISFFXSXTJKZ-UHFFFAOYSA-N -1 3 397.818 3.959 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1OC ZINC000255264889 840687765 /nfs/dbraw/zinc/68/77/65/840687765.db2.gz LGHFMADSUNLTHP-FLIBITNWSA-N -1 3 394.880 3.762 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccnc1C(F)(F)F ZINC000584737468 840717026 /nfs/dbraw/zinc/71/70/26/840717026.db2.gz PMDLHZZUEULQCV-TZMCWYRMSA-N -1 3 388.386 3.854 20 0 GHADHM CC(C)c1coc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000637637732 844569888 /nfs/dbraw/zinc/56/98/88/844569888.db2.gz QLSDJZMRLLXXIJ-UHFFFAOYSA-N -1 3 383.305 3.789 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000581168585 840816846 /nfs/dbraw/zinc/81/68/46/840816846.db2.gz WRDLMOPUOGCEAR-UHFFFAOYSA-N -1 3 377.441 3.670 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H](CN3CCCC3)c3ccccc3)c12 ZINC000581192515 840837581 /nfs/dbraw/zinc/83/75/81/840837581.db2.gz DWYUOMKMRUJGJF-MRXNPFEDSA-N -1 3 396.516 3.677 20 0 GHADHM CCCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000430541999 840913923 /nfs/dbraw/zinc/91/39/23/840913923.db2.gz JOQCDKWLGMVRIR-UHFFFAOYSA-N -1 3 383.673 3.959 20 0 GHADHM O=C([O-])c1ccnc(N2CCC(NCc3csc(Cl)c3Cl)CC2)c1 ZINC000417553340 840996333 /nfs/dbraw/zinc/99/63/33/840996333.db2.gz ASFOCYSIBZCYAL-UHFFFAOYSA-N -1 3 386.304 3.907 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1c(F)cccc1Br)C(=O)[O-] ZINC000417555038 840997113 /nfs/dbraw/zinc/99/71/13/840997113.db2.gz DHDIHIJXQIHSSV-ZDUSSCGKSA-N -1 3 396.256 3.630 20 0 GHADHM COC(=O)c1cc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000417573946 841010075 /nfs/dbraw/zinc/01/00/75/841010075.db2.gz QVOMZEFQBPSBES-CQSZACIVSA-N -1 3 385.247 3.804 20 0 GHADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1csc(C2CC2)n1 ZINC000417564281 841014628 /nfs/dbraw/zinc/01/46/28/841014628.db2.gz OPQCRIQILIEVPW-AWEZNQCLSA-N -1 3 381.295 3.569 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000473031011 841025221 /nfs/dbraw/zinc/02/52/21/841025221.db2.gz HAGJFPQOBBHDTF-WMZOPIPTSA-N -1 3 377.444 3.566 20 0 GHADHM O=S(=O)(CC12CCC(CC1)CC2)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000432198739 841085290 /nfs/dbraw/zinc/08/52/90/841085290.db2.gz PWVXXICGXDFBBK-UHFFFAOYSA-N -1 3 395.912 3.780 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC000417639163 841090294 /nfs/dbraw/zinc/09/02/94/841090294.db2.gz LKYPEUSUYVWHAG-LRDDRELGSA-N -1 3 394.313 3.952 20 0 GHADHM CCCn1cc(CN[C@@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cn1 ZINC000417642818 841093744 /nfs/dbraw/zinc/09/37/44/841093744.db2.gz XHFZSBJETOFARF-BLLLJJGKSA-N -1 3 380.286 3.607 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000660744985 841149800 /nfs/dbraw/zinc/14/98/00/841149800.db2.gz OYVSHOGUTMGEMB-UHFFFAOYSA-N -1 3 393.369 3.584 20 0 GHADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000481370708 861197999 /nfs/dbraw/zinc/19/79/99/861197999.db2.gz LYZAIMVLBVUJJP-GHMZBOCLSA-N -1 3 384.386 3.772 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)c2)n1 ZINC000049302415 841504012 /nfs/dbraw/zinc/50/40/12/841504012.db2.gz CDUPZLQHXGUTOF-GOSISDBHSA-N -1 3 395.846 3.595 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000184098064 841556417 /nfs/dbraw/zinc/55/64/17/841556417.db2.gz POUVJJBGWSLSJQ-LZJOCLMNSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1ccc(-c2nc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cs2)o1 ZINC000042246405 861214019 /nfs/dbraw/zinc/21/40/19/861214019.db2.gz DPMVCKPMCUTNCU-UHFFFAOYSA-N -1 3 397.456 3.564 20 0 GHADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)cc1Cl ZINC000656619131 841581314 /nfs/dbraw/zinc/58/13/14/841581314.db2.gz KGTLWQQHDVFEAW-UHFFFAOYSA-N -1 3 398.887 3.603 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c1 ZINC000656622392 841590554 /nfs/dbraw/zinc/59/05/54/841590554.db2.gz CXOFQUXFLLDBQA-GFCCVEGCSA-N -1 3 383.441 3.821 20 0 GHADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000581540272 841631131 /nfs/dbraw/zinc/63/11/31/841631131.db2.gz SDGSQMCMAFLVRY-ANRSDYALSA-N -1 3 393.333 3.784 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000119147880 841857157 /nfs/dbraw/zinc/85/71/57/841857157.db2.gz OBXQDANXLGJLJB-GHMZBOCLSA-N -1 3 378.416 3.842 20 0 GHADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000500435634 842117557 /nfs/dbraw/zinc/11/75/57/842117557.db2.gz XMYJAQKZQYWCOY-UHFFFAOYSA-N -1 3 398.513 3.528 20 0 GHADHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000032629697 842190613 /nfs/dbraw/zinc/19/06/13/842190613.db2.gz HAFKUGLYOVXSEM-UHFFFAOYSA-N -1 3 385.272 3.921 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000161038770 842260276 /nfs/dbraw/zinc/26/02/76/842260276.db2.gz YSZAGBBHWLNFNE-PABFRNLHSA-N -1 3 379.865 3.920 20 0 GHADHM COCCCn1c(=O)[n-]nc1S[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000549623857 842297133 /nfs/dbraw/zinc/29/71/33/842297133.db2.gz PMHBCRKEBNKJDU-MRXNPFEDSA-N -1 3 397.928 3.934 20 0 GHADHM O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1c[n-]c2ccccc2c1=O ZINC000185768760 861311432 /nfs/dbraw/zinc/31/14/32/861311432.db2.gz OOLMKANJOAGSTD-JOCHJYFZSA-N -1 3 384.435 3.659 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)c1ccco1 ZINC000656938468 842467826 /nfs/dbraw/zinc/46/78/26/842467826.db2.gz LJKIEGFKVFTRAO-VQTJNVASSA-N -1 3 393.505 3.502 20 0 GHADHM Cc1nc(C)c(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000432273766 842480021 /nfs/dbraw/zinc/48/00/21/842480021.db2.gz DCFFRQMSGPJIER-CYBMUJFWSA-N -1 3 378.441 3.774 20 0 GHADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2)c1C ZINC001211681452 842483831 /nfs/dbraw/zinc/48/38/31/842483831.db2.gz DZIJSOMKDKIJIR-UHFFFAOYSA-N -1 3 391.367 3.595 20 0 GHADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000512106887 842510621 /nfs/dbraw/zinc/51/06/21/842510621.db2.gz SSPPZBJQUJYEHQ-SFHVURJKSA-N -1 3 384.455 3.542 20 0 GHADHM C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000652496992 842629658 /nfs/dbraw/zinc/62/96/58/842629658.db2.gz IBVOVXQFROLVCD-AYOQOUSVSA-N -1 3 377.444 3.869 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000027705716 842708451 /nfs/dbraw/zinc/70/84/51/842708451.db2.gz FYEIIYOPGYBKOP-CZUORRHYSA-N -1 3 384.517 3.601 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000027705707 842708648 /nfs/dbraw/zinc/70/86/48/842708648.db2.gz FYEIIYOPGYBKOP-CJNGLKHVSA-N -1 3 384.517 3.601 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1ccc(F)cc1Br ZINC000390977190 842777106 /nfs/dbraw/zinc/77/71/06/842777106.db2.gz HXNUSZUPGCBFCP-VIFPVBQESA-N -1 3 386.233 3.692 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3c(cncc3Cl)s2)s1 ZINC000889116739 842793667 /nfs/dbraw/zinc/79/36/67/842793667.db2.gz OVNXRZSGFAIEKR-UHFFFAOYSA-N -1 3 396.881 3.549 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000471840898 842799579 /nfs/dbraw/zinc/79/95/79/842799579.db2.gz VRKDYGTYXBHICS-QFIPXVFZSA-N -1 3 389.455 3.701 20 0 GHADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(OCCc2ccccc2)c1 ZINC000581973692 842867847 /nfs/dbraw/zinc/86/78/47/842867847.db2.gz ZDLBKEJTEMHISN-HXUWFJFHSA-N -1 3 375.490 3.619 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000510508998 842875286 /nfs/dbraw/zinc/87/52/86/842875286.db2.gz SOCVOAJPZZSTCC-UHFFFAOYSA-N -1 3 381.725 3.980 20 0 GHADHM O=C([O-])CCN(Cc1oc2ccccc2c1Br)C1CCOCC1 ZINC000662213087 842930384 /nfs/dbraw/zinc/93/03/84/842930384.db2.gz SHECLZHRUFBKIK-UHFFFAOYSA-N -1 3 382.254 3.651 20 0 GHADHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000662221909 842950348 /nfs/dbraw/zinc/95/03/48/842950348.db2.gz GZCZURHIVQJSQD-QGZVFWFLSA-N -1 3 392.377 3.718 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000185453086 843015047 /nfs/dbraw/zinc/01/50/47/843015047.db2.gz WCIJHFIGVFQCNR-ZDUSSCGKSA-N -1 3 378.266 3.954 20 0 GHADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2)c1 ZINC000186553132 843101563 /nfs/dbraw/zinc/10/15/63/843101563.db2.gz LTNHIDONZDTOPY-UHFFFAOYSA-N -1 3 388.383 3.557 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(F)c3C)n2)cc1 ZINC000471875926 843161199 /nfs/dbraw/zinc/16/11/99/843161199.db2.gz WHRLUKCNTOXPDR-ZDUSSCGKSA-N -1 3 389.452 3.786 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2cccc(Br)c2)C(C)C)c(=O)[n-]1 ZINC000512280640 843306786 /nfs/dbraw/zinc/30/67/86/843306786.db2.gz WMHKNSYATPKASX-UHFFFAOYSA-N -1 3 392.297 3.541 20 0 GHADHM Cc1nccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000684533476 843330444 /nfs/dbraw/zinc/33/04/44/843330444.db2.gz DCDPWVRMBVMAHD-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)C)CCCC3)o1 ZINC000432652885 843362962 /nfs/dbraw/zinc/36/29/62/843362962.db2.gz MJQRBFOFWRNPCA-UHFFFAOYSA-N -1 3 391.445 3.824 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000471907113 843402444 /nfs/dbraw/zinc/40/24/44/843402444.db2.gz NAPNMNNZCCEHFB-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000432681640 843450942 /nfs/dbraw/zinc/45/09/42/843450942.db2.gz OEUOXLKHXLFYIK-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000432681640 843450947 /nfs/dbraw/zinc/45/09/47/843450947.db2.gz OEUOXLKHXLFYIK-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3nccn4cc(C)nc34)n2)cc1 ZINC000432683908 843453944 /nfs/dbraw/zinc/45/39/44/843453944.db2.gz FPKDUEPDDTYCKX-UHFFFAOYSA-N -1 3 382.474 3.530 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000091923303 843467307 /nfs/dbraw/zinc/46/73/07/843467307.db2.gz KWOUNEIASAGBKY-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](c4ccc(C)c(C)c4)C3=O)cc2)cc(=O)[n-]1 ZINC000349281499 861425177 /nfs/dbraw/zinc/42/51/77/861425177.db2.gz SUZDNOMJSCHUKR-HXUWFJFHSA-N -1 3 388.427 3.572 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccccc2COCc2ccccc2)s1 ZINC000431069890 843539562 /nfs/dbraw/zinc/53/95/62/843539562.db2.gz NJWNDYGJPVKBPR-UHFFFAOYSA-N -1 3 388.514 3.647 20 0 GHADHM O=c1ccnc(C(=Cc2cnn(Cc3ccc(F)cc3)c2)Cc2ccccc2)[n-]1 ZINC000432706062 843557561 /nfs/dbraw/zinc/55/75/61/843557561.db2.gz UDZCHOVLUZHHLY-MOSHPQCFSA-N -1 3 386.430 3.937 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)C2CCCC2)cc1OC ZINC000510854924 843625088 /nfs/dbraw/zinc/62/50/88/843625088.db2.gz SSEWILACVIHFNR-UHFFFAOYSA-N -1 3 397.541 3.795 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)cc1 ZINC000432766872 843744566 /nfs/dbraw/zinc/74/45/66/843744566.db2.gz IRXCIFSKJWUJND-UHFFFAOYSA-N -1 3 382.445 3.690 20 0 GHADHM Cc1ccc(NC(=O)CCC(F)F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000684562688 843757009 /nfs/dbraw/zinc/75/70/09/843757009.db2.gz KVEILBAXQVMBMW-UHFFFAOYSA-N -1 3 386.395 3.919 20 0 GHADHM CCn1cnnc1-c1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000433221585 843880070 /nfs/dbraw/zinc/88/00/70/843880070.db2.gz UWRYEYNIGSIFKF-UHFFFAOYSA-N -1 3 391.406 3.506 20 0 GHADHM CCC(C)(C)OCc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481478836 861484942 /nfs/dbraw/zinc/48/49/42/861484942.db2.gz JAIIUDQPAFGHDS-UHFFFAOYSA-N -1 3 385.390 3.850 20 0 GHADHM COc1cc(C[NH2+][C@H]2CCCCCC[C@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000277131169 844714727 /nfs/dbraw/zinc/71/47/27/844714727.db2.gz BPCCMHROIWFMAC-OCCSQVGLSA-N -1 3 386.286 3.677 20 0 GHADHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001211531596 844764559 /nfs/dbraw/zinc/76/45/59/844764559.db2.gz XUFGUXMGFGHWGB-QWRGUYRKSA-N -1 3 383.316 3.531 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3[C@@H]4c5ccc(Cl)cc5C[C@H]34)nc21 ZINC000599704040 861514575 /nfs/dbraw/zinc/51/45/75/861514575.db2.gz FWBMUMVVRHUTQK-NUEKZKHPSA-N -1 3 381.819 3.527 20 0 GHADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1cccc(Cl)c1F ZINC000277181388 845165467 /nfs/dbraw/zinc/16/54/67/845165467.db2.gz FIKSSEXMQMTMJQ-MRXNPFEDSA-N -1 3 383.872 3.834 20 0 GHADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000433685387 845196522 /nfs/dbraw/zinc/19/65/22/845196522.db2.gz NNIQBDBSYWKERD-UHFFFAOYSA-N -1 3 398.440 3.994 20 0 GHADHM COC(=O)c1[n-]c(=NCCOCc2ccc(Cl)cc2Cl)sc1C ZINC000433761482 845322927 /nfs/dbraw/zinc/32/29/27/845322927.db2.gz BUKXKZVWRAJZHO-UHFFFAOYSA-N -1 3 375.277 3.596 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC2(c3cccc(F)c3F)CCCC2)c(=O)[n-]1 ZINC000277295016 845588449 /nfs/dbraw/zinc/58/84/49/845588449.db2.gz SWNWVEZTCNLAHR-UHFFFAOYSA-N -1 3 389.446 3.638 20 0 GHADHM O=c1[n-]c(SCc2ncc(C3CC3)o2)nc2c1cnn2Cc1ccccc1 ZINC000657285237 845676469 /nfs/dbraw/zinc/67/64/69/845676469.db2.gz ZOGUVYRYSSLZAY-UHFFFAOYSA-N -1 3 379.445 3.738 20 0 GHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1Cl ZINC000277339019 845804509 /nfs/dbraw/zinc/80/45/09/845804509.db2.gz OSUDSWGVZLMYLB-OAHLLOKOSA-N -1 3 379.840 3.671 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000513662577 846228603 /nfs/dbraw/zinc/22/86/03/846228603.db2.gz XNLAMTYHEYTKNR-JTQLQIEISA-N -1 3 375.341 3.802 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c3ccco3)n1)O[C@@H](C)C2 ZINC000502649397 846314861 /nfs/dbraw/zinc/31/48/61/846314861.db2.gz PJIOMISMYDXUTA-WHOFXGATSA-N -1 3 394.431 3.529 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)ccc1F ZINC000502792093 846469384 /nfs/dbraw/zinc/46/93/84/846469384.db2.gz DCHLGJXHEUSGOW-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM Cc1nc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)c2ccccc2F)no1 ZINC000375673194 846499308 /nfs/dbraw/zinc/49/93/08/846499308.db2.gz OTOKCARZQFERIK-LJQANCHMSA-N -1 3 377.375 3.895 20 0 GHADHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655956 861688234 /nfs/dbraw/zinc/68/82/34/861688234.db2.gz PJTSTVSOQZWMML-UHFFFAOYSA-N -1 3 398.278 3.591 20 0 GHADHM O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([O-])ccc1Cl ZINC000501014715 846550947 /nfs/dbraw/zinc/55/09/47/846550947.db2.gz MBFXYVQCBKNUPU-AWEZNQCLSA-N -1 3 398.768 3.600 20 0 GHADHM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000421984409 846721087 /nfs/dbraw/zinc/72/10/87/846721087.db2.gz IUFKXTHJXUDAQF-HOCLYGCPSA-N -1 3 379.472 3.680 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000133625312 846794809 /nfs/dbraw/zinc/79/48/09/846794809.db2.gz UEKPINWEDZDSER-ZIAGYGMSSA-N -1 3 393.484 3.605 20 0 GHADHM COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Sc2ccccc2Cl)n1 ZINC000052779239 846835246 /nfs/dbraw/zinc/83/52/46/846835246.db2.gz QVWBAQCZFQKSLR-NSHDSACASA-N -1 3 388.880 3.675 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cc2n[nH]cc21 ZINC000501368897 846874370 /nfs/dbraw/zinc/87/43/70/846874370.db2.gz USASINHNDKGXGT-UHFFFAOYSA-N -1 3 375.226 3.661 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000414450364 847112009 /nfs/dbraw/zinc/11/20/09/847112009.db2.gz XCXVQALQSFEJDY-NRFANRHFSA-N -1 3 394.515 3.896 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000158260044 847156927 /nfs/dbraw/zinc/15/69/27/847156927.db2.gz CGVAOPLPKBGPES-CABZTGNLSA-N -1 3 380.318 3.845 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c(F)ccc(C)c2F)[nH][n-]1 ZINC000501839128 847270961 /nfs/dbraw/zinc/27/09/61/847270961.db2.gz JAZGYGZXAJPYNY-UHFFFAOYSA-N -1 3 377.778 4.000 20 0 GHADHM Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000048017242 847496622 /nfs/dbraw/zinc/49/66/22/847496622.db2.gz OLUJXNRLWLCVEZ-AWEZNQCLSA-N -1 3 394.258 3.525 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000431439366 847511326 /nfs/dbraw/zinc/51/13/26/847511326.db2.gz CBORFLVLWWKDDI-UHFFFAOYSA-N -1 3 389.415 3.822 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1c(F)cccc1OC(F)(F)F ZINC000582563839 847616418 /nfs/dbraw/zinc/61/64/18/847616418.db2.gz URTUMDIDRCYVDY-UHFFFAOYSA-N -1 3 389.326 3.949 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1cc(C)ccc1Cl)Cc1ccc([O-])c(F)c1 ZINC000421066221 847680465 /nfs/dbraw/zinc/68/04/65/847680465.db2.gz LMVCUOIBIDUXDX-ZDUSSCGKSA-N -1 3 394.830 3.647 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000503419277 847683502 /nfs/dbraw/zinc/68/35/02/847683502.db2.gz KMFSKZLEOVJISH-IBGZPJMESA-N -1 3 387.505 3.519 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000582588030 847702845 /nfs/dbraw/zinc/70/28/45/847702845.db2.gz CDPCEOBVYGXLCZ-HNNXBMFYSA-N -1 3 375.419 3.874 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000421159970 847794404 /nfs/dbraw/zinc/79/44/04/847794404.db2.gz UYSSRXQFPMDDFF-CYBMUJFWSA-N -1 3 389.851 3.926 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503724113 847923296 /nfs/dbraw/zinc/92/32/96/847923296.db2.gz SWBVJLDFHHOFMG-UHFFFAOYSA-N -1 3 378.363 3.634 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000115956117 847927197 /nfs/dbraw/zinc/92/71/97/847927197.db2.gz KMBTUGKNBPAJJO-NRFANRHFSA-N -1 3 390.487 3.586 20 0 GHADHM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000161358906 847957810 /nfs/dbraw/zinc/95/78/10/847957810.db2.gz ZDIAVMLZLXSULA-UHFFFAOYSA-N -1 3 391.251 3.635 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1ccco1 ZINC000582688300 848013248 /nfs/dbraw/zinc/01/32/48/848013248.db2.gz WUFQLBFGVDXIMF-AWEZNQCLSA-N -1 3 395.278 3.879 20 0 GHADHM Cc1cc(C(=O)[N-]NC(=O)CCSc2ccc(F)cc2)c(Cl)cc1F ZINC000161363954 848022368 /nfs/dbraw/zinc/02/23/68/848022368.db2.gz AXPKAVRIVJJRLJ-UHFFFAOYSA-N -1 3 384.835 3.870 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)c(C)c1 ZINC000731783278 861890047 /nfs/dbraw/zinc/89/00/47/861890047.db2.gz YPMIMMZBHFIEHM-UHFFFAOYSA-N -1 3 382.432 3.683 20 0 GHADHM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582794801 848398586 /nfs/dbraw/zinc/39/85/86/848398586.db2.gz IDQWJAOHNZFWTI-KRWDZBQOSA-N -1 3 387.867 3.611 20 0 GHADHM COc1ccccc1C1(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC001299800003 848507823 /nfs/dbraw/zinc/50/78/23/848507823.db2.gz YIHTYLALFVTGNC-UHFFFAOYSA-N -1 3 389.477 3.918 20 0 GHADHM CC(C)(C)C(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000582896984 848653234 /nfs/dbraw/zinc/65/32/34/848653234.db2.gz RQMIRMRIIAATKV-UHFFFAOYSA-N -1 3 395.500 3.757 20 0 GHADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000122984938 849040393 /nfs/dbraw/zinc/04/03/93/849040393.db2.gz MXSJXUUMODIIPX-LLVKDONJSA-N -1 3 387.383 3.707 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000161550578 849146424 /nfs/dbraw/zinc/14/64/24/849146424.db2.gz UNELRXJCSCBSSZ-CQSZACIVSA-N -1 3 397.435 3.659 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1csc(NC2CC2)n1 ZINC000427141169 849314646 /nfs/dbraw/zinc/31/46/46/849314646.db2.gz ZFDIFDAFKNAEFA-UHFFFAOYSA-N -1 3 377.882 3.564 20 0 GHADHM Cc1ccccc1NC(=S)N[N-]C(=O)c1ccc(F)cc1Br ZINC000061478531 862009455 /nfs/dbraw/zinc/00/94/55/862009455.db2.gz LKIYSWOLIBAQBJ-UHFFFAOYSA-N -1 3 382.258 3.528 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(F)cc1Br ZINC000561381318 849467629 /nfs/dbraw/zinc/46/76/29/849467629.db2.gz IGPMRIKSKNPNHW-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nnc(C(C)(C)C)s3)n2)n1 ZINC000132380293 862044816 /nfs/dbraw/zinc/04/48/16/862044816.db2.gz AOIKQYACICDOEG-UHFFFAOYSA-N -1 3 390.900 3.939 20 0 GHADHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000161668973 849687395 /nfs/dbraw/zinc/68/73/95/849687395.db2.gz CUSOKZLDYUTLGY-UHFFFAOYSA-N -1 3 382.844 3.538 20 0 GHADHM CN(C)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000908419726 850077202 /nfs/dbraw/zinc/07/72/02/850077202.db2.gz PJDNSZLKFVMOHP-KRWDZBQOSA-N -1 3 394.393 3.713 20 0 GHADHM CN(C)Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000908419727 850077572 /nfs/dbraw/zinc/07/75/72/850077572.db2.gz PJDNSZLKFVMOHP-QGZVFWFLSA-N -1 3 394.393 3.713 20 0 GHADHM COCC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccco1 ZINC000504464846 850080729 /nfs/dbraw/zinc/08/07/29/850080729.db2.gz NMFBYRMFGFGFMJ-MRXNPFEDSA-N -1 3 382.420 3.650 20 0 GHADHM COCCOc1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504468676 850082417 /nfs/dbraw/zinc/08/24/17/850082417.db2.gz XOPYZWXLVBVPAO-UHFFFAOYSA-N -1 3 393.212 3.517 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486827395 850148687 /nfs/dbraw/zinc/14/86/87/850148687.db2.gz QWSWIGRDDIXBCF-ZCFIWIBFSA-N -1 3 388.795 3.994 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc(OCc2ccccn2)c1 ZINC000518812838 850182672 /nfs/dbraw/zinc/18/26/72/850182672.db2.gz PHOHIHRWSAGTPN-MRXNPFEDSA-N -1 3 387.443 3.613 20 0 GHADHM O=C([O-])[C@@H](CN1CCCCC1)NC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000908626501 850225486 /nfs/dbraw/zinc/22/54/86/850225486.db2.gz CJXGPZZVGRVZPT-OAHLLOKOSA-N -1 3 394.541 3.642 20 0 GHADHM O=C([O-])[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCCC1 ZINC000908750747 850316069 /nfs/dbraw/zinc/31/60/69/850316069.db2.gz HZJGRZPYNHPIAX-AEFFLSMTSA-N -1 3 393.553 3.608 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486987621 850318785 /nfs/dbraw/zinc/31/87/85/850318785.db2.gz OSMGTESFZBVBFJ-UHFFFAOYSA-N -1 3 376.693 3.781 20 0 GHADHM CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[C@H](CC)C(=O)[O-] ZINC000908749703 850321981 /nfs/dbraw/zinc/32/19/81/850321981.db2.gz VXHIRDGRKHLKLJ-SJORKVTESA-N -1 3 395.569 3.806 20 0 GHADHM CC[C@@](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751383 850328260 /nfs/dbraw/zinc/32/82/60/850328260.db2.gz LEUDQSAFDMBOMA-REWPJTCUSA-N -1 3 395.503 3.513 20 0 GHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000061526989 862119324 /nfs/dbraw/zinc/11/93/24/862119324.db2.gz WHACCLPNCWTZSE-HNNXBMFYSA-N -1 3 398.544 3.943 20 0 GHADHM COCCCn1c(=O)[n-]nc1SC(Cc1ccccc1)Cc1ccccc1 ZINC000487177079 850538928 /nfs/dbraw/zinc/53/89/28/850538928.db2.gz OMZDUWMXNYTJDC-UHFFFAOYSA-N -1 3 383.517 3.966 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(COCC3CC3)c2)no1 ZINC000506721328 850593323 /nfs/dbraw/zinc/59/33/23/850593323.db2.gz ZYWSBFKKARUERT-UHFFFAOYSA-N -1 3 378.494 3.841 20 0 GHADHM Cc1cc(N2CCC(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n[nH]1 ZINC000439947766 850601703 /nfs/dbraw/zinc/60/17/03/850601703.db2.gz FLXVFSACIOQVQP-UHFFFAOYSA-N -1 3 392.459 3.615 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC(C)C)cn3)c2)n1 ZINC000435566360 850650990 /nfs/dbraw/zinc/65/09/90/850650990.db2.gz IUKLQTMCGQCMAD-UHFFFAOYSA-N -1 3 378.432 3.846 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000515098585 850675142 /nfs/dbraw/zinc/67/51/42/850675142.db2.gz BCACQSZRWZGKEN-UHFFFAOYSA-N -1 3 381.863 3.683 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC000515099319 850676354 /nfs/dbraw/zinc/67/63/54/850676354.db2.gz HIJNNSRAWKFZNZ-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM Cc1ccc(NC(=O)CS[C@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000435677935 850763856 /nfs/dbraw/zinc/76/38/56/850763856.db2.gz KQBUZWOIRZOQKI-OAHLLOKOSA-N -1 3 394.500 3.506 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505271474 850777763 /nfs/dbraw/zinc/77/77/63/850777763.db2.gz CXYSEJOGSRBOSN-UHFFFAOYSA-N -1 3 384.457 3.864 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)[C@@H](O)c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000732236424 862168190 /nfs/dbraw/zinc/16/81/90/862168190.db2.gz MXLIYHXQPKZOFE-FKIZINRSSA-N -1 3 396.422 3.540 20 0 GHADHM C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909819324 850804082 /nfs/dbraw/zinc/80/40/82/850804082.db2.gz JCWXDCWTBXRXRA-QAPCUYQASA-N -1 3 394.471 3.556 20 0 GHADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000732279984 862173433 /nfs/dbraw/zinc/17/34/33/862173433.db2.gz VINXFWLMYRGZAR-IERDGZPVSA-N -1 3 377.444 3.575 20 0 GHADHM COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000435723908 850807103 /nfs/dbraw/zinc/80/71/03/850807103.db2.gz AVVPUIGFRRGLPZ-UHFFFAOYSA-N -1 3 399.410 3.573 20 0 GHADHM COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000435723908 850807112 /nfs/dbraw/zinc/80/71/12/850807112.db2.gz AVVPUIGFRRGLPZ-UHFFFAOYSA-N -1 3 399.410 3.573 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)s1 ZINC000487736146 850870266 /nfs/dbraw/zinc/87/02/66/850870266.db2.gz WIUKAVXKYWSYSG-JTQLQIEISA-N -1 3 380.491 3.904 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2n1C(F)F ZINC000732263839 862179190 /nfs/dbraw/zinc/17/91/90/862179190.db2.gz WHRQIGKXIRBOIX-JTQLQIEISA-N -1 3 383.358 3.571 20 0 GHADHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000513832238 850925969 /nfs/dbraw/zinc/92/59/69/850925969.db2.gz GAIKREQSLMDAKD-CYBMUJFWSA-N -1 3 387.851 3.680 20 0 GHADHM C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909991683 850935162 /nfs/dbraw/zinc/93/51/62/850935162.db2.gz GPIUOZLPLREXSH-GBXCKJPGSA-N -1 3 394.515 3.560 20 0 GHADHM COc1cccc(C2(CNC(=O)c3nnc4ccccc4c3[O-])CCCC2)c1 ZINC000732290738 862193827 /nfs/dbraw/zinc/19/38/27/862193827.db2.gz ZAPBITCYARHAAD-UHFFFAOYSA-N -1 3 377.444 3.586 20 0 GHADHM COc1cc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000513959844 851043495 /nfs/dbraw/zinc/04/34/95/851043495.db2.gz VCJIIZAWDBXPQT-HNNXBMFYSA-N -1 3 393.892 3.993 20 0 GHADHM O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000519469738 851093984 /nfs/dbraw/zinc/09/39/84/851093984.db2.gz BVGOQKFDKSFSHV-LJQANCHMSA-N -1 3 395.846 3.541 20 0 GHADHM C[C@@H]1[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1(F)F ZINC000569967756 851119273 /nfs/dbraw/zinc/11/92/73/851119273.db2.gz AQWNYYSYKNAQBT-HZGVNTEJSA-N -1 3 382.168 3.653 20 0 GHADHM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000910367405 851158431 /nfs/dbraw/zinc/15/84/31/851158431.db2.gz GSUYWOFQGVSVRX-FPOVZHCZSA-N -1 3 398.478 3.678 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cccs1 ZINC000729451931 851238423 /nfs/dbraw/zinc/23/84/23/851238423.db2.gz KEODLQWFZGLHGX-FNORWQNLSA-N -1 3 390.408 3.790 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000155798058 851245725 /nfs/dbraw/zinc/24/57/25/851245725.db2.gz FOTIQAGRRGOAHA-CQSZACIVSA-N -1 3 386.414 3.538 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000436193314 851325803 /nfs/dbraw/zinc/32/58/03/851325803.db2.gz XFNMCEXKXQNNOQ-GASCZTMLSA-N -1 3 390.480 3.663 20 0 GHADHM CCc1csc([C@H](C)[N-]C(=O)C(F)(F)c2ncccc2Br)n1 ZINC000910713737 851358431 /nfs/dbraw/zinc/35/84/31/851358431.db2.gz KQSVBTPGMKUVIF-QMMMGPOBSA-N -1 3 390.253 3.832 20 0 GHADHM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000910773702 851392630 /nfs/dbraw/zinc/39/26/30/851392630.db2.gz MKUGXZFJAHXQHX-NRFANRHFSA-N -1 3 396.487 3.579 20 0 GHADHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000515755481 851434051 /nfs/dbraw/zinc/43/40/51/851434051.db2.gz MKPRRAFCWSNAHF-GFCCVEGCSA-N -1 3 393.361 3.506 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)C(F)(F)F ZINC000443940296 862250171 /nfs/dbraw/zinc/25/01/71/862250171.db2.gz YLULIAPCANLSMB-AMIZOPFISA-N -1 3 386.823 3.554 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cncc([O-])c2)c(C)n1[C@H](C)c1ccccc1 ZINC000732393628 862257376 /nfs/dbraw/zinc/25/73/76/862257376.db2.gz CMHAIOXHGYQTLL-OAHLLOKOSA-N -1 3 378.428 3.855 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000430115360 851596457 /nfs/dbraw/zinc/59/64/57/851596457.db2.gz VLBVJQZJDDOLLG-UHFFFAOYSA-N -1 3 397.232 3.734 20 0 GHADHM Cc1oc(S(N)(=O)=O)cc1C(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000281459066 851598151 /nfs/dbraw/zinc/59/81/51/851598151.db2.gz FRLNZQHOLMLXMS-UHFFFAOYSA-N -1 3 388.898 3.642 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc3oc(C)nc32)[nH][n-]1 ZINC000473698843 851683994 /nfs/dbraw/zinc/68/39/94/851683994.db2.gz KWBCDPUEASSEAD-UHFFFAOYSA-N -1 3 382.807 3.863 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000911322760 851691073 /nfs/dbraw/zinc/69/10/73/851691073.db2.gz MMDHAXDDFVBVBB-UHFFFAOYSA-N -1 3 384.501 3.537 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000488673358 851699453 /nfs/dbraw/zinc/69/94/53/851699453.db2.gz HJAXYVVJPXKWLW-SECBINFHSA-N -1 3 385.283 3.639 20 0 GHADHM CC(C)(C)C(=O)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000101638256 851768611 /nfs/dbraw/zinc/76/86/11/851768611.db2.gz MRIDKBOWGRTHLP-UHFFFAOYSA-N -1 3 394.515 3.508 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4ccccc4F)C3)nc2)n1 ZINC000488781911 851770962 /nfs/dbraw/zinc/77/09/62/851770962.db2.gz JBGMBFXQOZXCOS-INIZCTEOSA-N -1 3 379.439 3.637 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000911545207 851779903 /nfs/dbraw/zinc/77/99/03/851779903.db2.gz HCNCGZPMVRNPLU-ZRGWGRIASA-N -1 3 386.517 3.673 20 0 GHADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(F)ccc3Cl)o2)cs1 ZINC000488853256 851825825 /nfs/dbraw/zinc/82/58/25/851825825.db2.gz MBNLYDUZBWGYNK-UHFFFAOYSA-N -1 3 386.857 3.983 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488854671 851828857 /nfs/dbraw/zinc/82/88/57/851828857.db2.gz OIODIZLQDMUCOT-FZMZJTMJSA-N -1 3 383.407 3.718 20 0 GHADHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000488856022 851829417 /nfs/dbraw/zinc/82/94/17/851829417.db2.gz KKJUGOGHSGYDES-UHFFFAOYSA-N -1 3 377.359 3.510 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489061545 851977091 /nfs/dbraw/zinc/97/70/91/851977091.db2.gz QZRCPKDDZXRQBR-SNVBAGLBSA-N -1 3 381.347 3.617 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436525610 852015181 /nfs/dbraw/zinc/01/51/81/852015181.db2.gz BDSDRYRFPYJZAR-UHFFFAOYSA-N -1 3 380.488 3.664 20 0 GHADHM CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436536338 852028989 /nfs/dbraw/zinc/02/89/89/852028989.db2.gz UVAVKORMHMTWEC-UHFFFAOYSA-N -1 3 397.452 3.981 20 0 GHADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489126054 852029314 /nfs/dbraw/zinc/02/93/14/852029314.db2.gz GWYQRFLQJNAJBG-SECBINFHSA-N -1 3 383.388 3.695 20 0 GHADHM O=C(Nc1cccc(N2CCNC2=O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436553132 852042295 /nfs/dbraw/zinc/04/22/95/852042295.db2.gz BOUWPIJGJPQXLV-UHFFFAOYSA-N -1 3 387.439 3.765 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000101935397 852044272 /nfs/dbraw/zinc/04/42/72/852044272.db2.gz FBCFAAUSDUXBHM-UHFFFAOYSA-N -1 3 383.407 3.785 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000506180343 852048387 /nfs/dbraw/zinc/04/83/87/852048387.db2.gz WIUYMXUBZHXZDE-TZMCWYRMSA-N -1 3 377.872 3.694 20 0 GHADHM Cc1nc(CN2CCC(CNC(=O)c3ccc(C(C)C)cc3[O-])CC2)oc1C ZINC000436543931 852056548 /nfs/dbraw/zinc/05/65/48/852056548.db2.gz AJUSFTQIKOCBSV-UHFFFAOYSA-N -1 3 385.508 3.762 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436577882 852061469 /nfs/dbraw/zinc/06/14/69/852061469.db2.gz VZVFEMXWCLVJDG-GOSISDBHSA-N -1 3 381.472 3.787 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c([O-])c1C ZINC000436558977 852062151 /nfs/dbraw/zinc/06/21/51/852062151.db2.gz XTSSSZGBDHLPAU-UHFFFAOYSA-N -1 3 380.366 3.862 20 0 GHADHM Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1C(N)=O ZINC000436567502 852070948 /nfs/dbraw/zinc/07/09/48/852070948.db2.gz OJMSQFVXOHCZBI-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM Cc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)[nH]c(=O)n1 ZINC000436599030 852084424 /nfs/dbraw/zinc/08/44/24/852084424.db2.gz BRJYIAQJUKXLDP-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COc1cccc(-c2nc(-c3ccccc3I)no2)c1[O-] ZINC000436578608 852086801 /nfs/dbraw/zinc/08/68/01/852086801.db2.gz AMDMLGLDTBGMGS-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436587614 852095779 /nfs/dbraw/zinc/09/57/79/852095779.db2.gz PROCHVNLCPCLBC-SFTDATJTSA-N -1 3 394.515 3.845 20 0 GHADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436587609 852095838 /nfs/dbraw/zinc/09/58/38/852095838.db2.gz PROCHVNLCPCLBC-LEWJYISDSA-N -1 3 394.515 3.845 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc1[O-] ZINC000436612592 852112563 /nfs/dbraw/zinc/11/25/63/852112563.db2.gz YBTHDTFVITWWQE-NSHDSACASA-N -1 3 381.350 3.811 20 0 GHADHM O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436615847 852115257 /nfs/dbraw/zinc/11/52/57/852115257.db2.gz GLXUDHAWKJJUBB-UHFFFAOYSA-N -1 3 388.423 3.761 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000112218419 852122071 /nfs/dbraw/zinc/12/20/71/852122071.db2.gz QRNZIYMWGQGWOI-OAQYLSRUSA-N -1 3 395.503 3.565 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1C ZINC000517569540 852123971 /nfs/dbraw/zinc/12/39/71/852123971.db2.gz WTBWRNUKBPUILG-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM Cc1ccc(SC2(C(=O)NCCNC(=O)c3ccc([O-])cc3)CCCC2)cc1 ZINC000436680051 852186535 /nfs/dbraw/zinc/18/65/35/852186535.db2.gz IJYOWOSKMOKNAN-UHFFFAOYSA-N -1 3 398.528 3.652 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1OC ZINC000436689230 852199757 /nfs/dbraw/zinc/19/97/57/852199757.db2.gz WGFBYAQUDSRNSL-UHFFFAOYSA-N -1 3 392.477 3.538 20 0 GHADHM CCNc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cs1 ZINC000473830504 852206311 /nfs/dbraw/zinc/20/63/11/852206311.db2.gz RMKFDEQBURXROM-UHFFFAOYSA-N -1 3 383.861 3.560 20 0 GHADHM CCc1cc(C)cc(CC)c1NC(=O)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000436694577 852208231 /nfs/dbraw/zinc/20/82/31/852208231.db2.gz ZOLNCBYLUJZZDQ-UHFFFAOYSA-N -1 3 390.487 3.817 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000516151847 852215035 /nfs/dbraw/zinc/21/50/35/852215035.db2.gz RIVTXTXQIDJVAG-DFQSSKMNSA-N -1 3 396.491 3.705 20 0 GHADHM O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccccc1[O-] ZINC000436702833 852220069 /nfs/dbraw/zinc/22/00/69/852220069.db2.gz BVJWDTULWOGSED-UHFFFAOYSA-N -1 3 381.350 3.727 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccc(O)cc1[O-] ZINC000436706935 852223816 /nfs/dbraw/zinc/22/38/16/852223816.db2.gz FFOFLSWVRUNRLJ-UHFFFAOYSA-N -1 3 396.270 3.883 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710444 852232002 /nfs/dbraw/zinc/23/20/02/852232002.db2.gz UJVFULBMAMFLSL-DIFFPNOSSA-N -1 3 381.350 3.719 20 0 GHADHM O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(C2CCCCC2)cc1 ZINC000517663057 852236795 /nfs/dbraw/zinc/23/67/95/852236795.db2.gz HWCNXCVKNURLCI-UHFFFAOYSA-N -1 3 375.490 3.906 20 0 GHADHM O=C(CCc1cc(Cl)ccc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473845707 852255219 /nfs/dbraw/zinc/25/52/19/852255219.db2.gz HIJMONHWIJHQDI-AWEZNQCLSA-N -1 3 398.688 3.670 20 0 GHADHM CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1OC(F)F ZINC000436740126 852257469 /nfs/dbraw/zinc/25/74/69/852257469.db2.gz XYBVSLVZVXKMGE-ZDUSSCGKSA-N -1 3 381.375 3.892 20 0 GHADHM COc1ccc(C[C@@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc2)cc1OC ZINC000436742227 852262742 /nfs/dbraw/zinc/26/27/42/852262742.db2.gz VXFGISDUNIGHFC-LJQANCHMSA-N -1 3 393.439 3.829 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@@H](Cc3ccccc3Cl)C(=O)[O-])sc2C1 ZINC000426701916 852285267 /nfs/dbraw/zinc/28/52/67/852285267.db2.gz BUIIGWIREPYYMZ-GXTWGEPZSA-N -1 3 378.925 3.954 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436749045 852289434 /nfs/dbraw/zinc/28/94/34/852289434.db2.gz RNGLHPDCASEOOX-MRXNPFEDSA-N -1 3 397.475 3.559 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436752018 852293507 /nfs/dbraw/zinc/29/35/07/852293507.db2.gz WJYJUUBOZBLUKY-KRWDZBQOSA-N -1 3 381.476 3.683 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(Cc4ccccc4)n3)nc21 ZINC000438347343 852296289 /nfs/dbraw/zinc/29/62/89/852296289.db2.gz GLOZKNPIHLRSTL-UHFFFAOYSA-N -1 3 392.440 3.649 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c1 ZINC000436784350 852337590 /nfs/dbraw/zinc/33/75/90/852337590.db2.gz WYYKSIPWQKPPLC-GOSISDBHSA-N -1 3 380.448 3.744 20 0 GHADHM C[C@H]1CCc2nc(CN[C@H](Cc3c(F)cccc3Cl)C(=O)[O-])sc2C1 ZINC000426753908 852359483 /nfs/dbraw/zinc/35/94/83/852359483.db2.gz LVZIVIVDORHPDA-ZUZCIYMTSA-N -1 3 382.888 3.846 20 0 GHADHM COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(OC)c3[O-])n2)c1 ZINC000436807404 852367920 /nfs/dbraw/zinc/36/79/20/852367920.db2.gz KYGJHKRQAGHCAA-UHFFFAOYSA-N -1 3 386.429 3.794 20 0 GHADHM COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc(Br)c1[O-] ZINC000426760423 852369497 /nfs/dbraw/zinc/36/94/97/852369497.db2.gz REWRLHHHMNELCM-MEDUHNTESA-N -1 3 394.265 3.715 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819714 852389063 /nfs/dbraw/zinc/38/90/63/852389063.db2.gz FDNBGCGBJBCJKE-HRAATJIYSA-N -1 3 380.488 3.948 20 0 GHADHM CC(C)N1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])sc2C1 ZINC000436823812 852392947 /nfs/dbraw/zinc/39/29/47/852392947.db2.gz CZTFUPHKLJAONJ-UHFFFAOYSA-N -1 3 385.411 3.886 20 0 GHADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1cccs1 ZINC000426793152 852402411 /nfs/dbraw/zinc/40/24/11/852402411.db2.gz PHVAYQIWWXNDES-AWEZNQCLSA-N -1 3 398.278 3.587 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436854236 852421263 /nfs/dbraw/zinc/42/12/63/852421263.db2.gz TUEQHUJNVYNJQB-UHFFFAOYSA-N -1 3 395.242 3.612 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@](C(=O)OC)(c3ccccc3)C2)c([O-])c1 ZINC000436863447 852427876 /nfs/dbraw/zinc/42/78/76/852427876.db2.gz KJZDTSXEZDMZPU-QHCPKHFHSA-N -1 3 397.471 3.528 20 0 GHADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc2c1OCCO2 ZINC000426824564 852437901 /nfs/dbraw/zinc/43/79/01/852437901.db2.gz NDERKWPNYOMJJA-GOSISDBHSA-N -1 3 385.460 3.895 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])cc1F ZINC000426837642 852446478 /nfs/dbraw/zinc/44/64/78/852446478.db2.gz XWZHNZTXVDMTPZ-MRXNPFEDSA-N -1 3 387.329 3.691 20 0 GHADHM COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436913177 852478788 /nfs/dbraw/zinc/47/87/88/852478788.db2.gz ILJXCAURYGTUIX-UHFFFAOYSA-N -1 3 392.455 3.690 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nnc2n1CCCCC2 ZINC000436926503 852509253 /nfs/dbraw/zinc/50/92/53/852509253.db2.gz MEZOOGBHPMZBDA-INIZCTEOSA-N -1 3 390.487 3.792 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489695651 852530646 /nfs/dbraw/zinc/53/06/46/852530646.db2.gz DHHXAKLMVFUGLC-VXGBXAGGSA-N -1 3 399.406 3.596 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000436980616 852568576 /nfs/dbraw/zinc/56/85/76/852568576.db2.gz NXWDDRYSFAVZBF-LPHOPBHVSA-N -1 3 398.890 3.666 20 0 GHADHM Cc1nc([C@](C)(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C2CC2)no1 ZINC000436986027 852595427 /nfs/dbraw/zinc/59/54/27/852595427.db2.gz FDKOKLOPGZXOKG-JOCHJYFZSA-N -1 3 377.444 3.730 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000437000408 852613928 /nfs/dbraw/zinc/61/39/28/852613928.db2.gz NOKVSHYJXBKYKI-QGZVFWFLSA-N -1 3 396.487 3.696 20 0 GHADHM Cc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000427036347 852660064 /nfs/dbraw/zinc/66/00/64/852660064.db2.gz BCKFQCWUXQBMHI-NSHDSACASA-N -1 3 381.295 3.656 20 0 GHADHM CNC(=O)[C@H]1CCCc2sc(/C=C\c3ccc([O-])c(Br)c3)nc21 ZINC000550004572 852664482 /nfs/dbraw/zinc/66/44/82/852664482.db2.gz HVFLGKCCSGXNGX-JYKYSHPRSA-N -1 3 393.306 3.948 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427076731 852706045 /nfs/dbraw/zinc/70/60/45/852706045.db2.gz IEQFZNYXNZHPMK-UHFFFAOYSA-N -1 3 399.454 3.930 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427076731 852706048 /nfs/dbraw/zinc/70/60/48/852706048.db2.gz IEQFZNYXNZHPMK-UHFFFAOYSA-N -1 3 399.454 3.930 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000516564546 852727360 /nfs/dbraw/zinc/72/73/60/852727360.db2.gz PMWWICPATASIRA-AWEZNQCLSA-N -1 3 396.318 3.824 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1sccc1Br ZINC000180882675 862388698 /nfs/dbraw/zinc/38/86/98/862388698.db2.gz RMPLKVXWTZTLGN-UHFFFAOYSA-N -1 3 381.230 3.611 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](c4ccc(F)cc4)C3)cc(=O)oc2cc1[O-] ZINC000913051715 853017054 /nfs/dbraw/zinc/01/70/54/853017054.db2.gz QCEHDPOHNNVTCM-NRFANRHFSA-N -1 3 383.419 3.774 20 0 GHADHM CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000490455258 853018017 /nfs/dbraw/zinc/01/80/17/853018017.db2.gz UQTNMFGFZQPYBG-HNNXBMFYSA-N -1 3 397.500 3.748 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n(Cc2ccccc2)n1 ZINC000426208359 853032891 /nfs/dbraw/zinc/03/28/91/853032891.db2.gz CKGHAXCAYFOZRW-UHFFFAOYSA-N -1 3 390.418 3.781 20 0 GHADHM Cc1sc2ncnc(SCC(=O)NCc3ccc([O-])c(F)c3)c2c1C ZINC000133165855 862430546 /nfs/dbraw/zinc/43/05/46/862430546.db2.gz BHNWPEHHXQEGOH-UHFFFAOYSA-N -1 3 377.466 3.561 20 0 GHADHM CC(C)C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000913298963 853210023 /nfs/dbraw/zinc/21/00/23/853210023.db2.gz VEOIYWPZYLPUSB-INIZCTEOSA-N -1 3 381.432 3.730 20 0 GHADHM CC(C)C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000913298963 853210028 /nfs/dbraw/zinc/21/00/28/853210028.db2.gz VEOIYWPZYLPUSB-INIZCTEOSA-N -1 3 381.432 3.730 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1cccc(Cl)c1Cl ZINC000913302039 853218242 /nfs/dbraw/zinc/21/82/42/853218242.db2.gz LYGDQKNIDZMKDY-UHFFFAOYSA-N -1 3 380.187 3.772 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1cccc(Cl)c1Cl ZINC000913302039 853218253 /nfs/dbraw/zinc/21/82/53/853218253.db2.gz LYGDQKNIDZMKDY-UHFFFAOYSA-N -1 3 380.187 3.772 20 0 GHADHM O=C1[N-]C(=O)C(=Cc2nc(-c3ccc(Br)cc3)c[nH]2)c2ccccc21 ZINC000732713710 862441574 /nfs/dbraw/zinc/44/15/74/862441574.db2.gz GEJFGJGEFXHILE-OQLLNIDSSA-N -1 3 394.228 3.650 20 0 GHADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000185902764 862442548 /nfs/dbraw/zinc/44/25/48/862442548.db2.gz CXVFRCAVTBFZFX-DHDCSXOGSA-N -1 3 391.254 3.627 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCC(=O)c2cccc(OC)c2)c([O-])c1 ZINC000490789524 853263347 /nfs/dbraw/zinc/26/33/47/853263347.db2.gz FDRFJZKILWBLSV-UHFFFAOYSA-N -1 3 385.416 3.569 20 0 GHADHM O=C(N[C@@H]1CC[C@H](F)C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000517052439 853290137 /nfs/dbraw/zinc/29/01/37/853290137.db2.gz ZLLHDSYLTNWUEU-DTWKUNHWSA-N -1 3 387.636 3.564 20 0 GHADHM COc1ccc2c(c1)OCC[C@H]2[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001126491504 853291699 /nfs/dbraw/zinc/29/16/99/853291699.db2.gz OTBFMUNDQSIUKU-CQSZACIVSA-N -1 3 382.794 3.784 20 0 GHADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCCC2)c1 ZINC000518413851 853318120 /nfs/dbraw/zinc/31/81/20/853318120.db2.gz MLKYUSUXVVIURD-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCCC2)c1 ZINC000518413851 853318128 /nfs/dbraw/zinc/31/81/28/853318128.db2.gz MLKYUSUXVVIURD-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM CCn1nc(C)c(CN(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1C ZINC000913426444 853345535 /nfs/dbraw/zinc/34/55/35/853345535.db2.gz SIUFWPRZJHWPLZ-UHFFFAOYSA-N -1 3 393.513 3.596 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517100504 853365831 /nfs/dbraw/zinc/36/58/31/853365831.db2.gz MBZLQAPSITUXQG-SECBINFHSA-N -1 3 377.227 3.710 20 0 GHADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000517088137 853367502 /nfs/dbraw/zinc/36/75/02/853367502.db2.gz STWZDJGRZYEQND-KCJUWKMLSA-N -1 3 386.233 3.935 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000732747662 862466991 /nfs/dbraw/zinc/46/69/91/862466991.db2.gz UBLWGWRVKZHLLD-APEZIOSESA-N -1 3 382.435 3.520 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](CCO)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000440725032 853572141 /nfs/dbraw/zinc/57/21/41/853572141.db2.gz ABPCEGXWGJMKGO-HXUWFJFHSA-N -1 3 392.459 3.745 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519888446 853585062 /nfs/dbraw/zinc/58/50/62/853585062.db2.gz WRUVBWNOWGIFHY-SNVBAGLBSA-N -1 3 391.349 3.814 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c(C)c1C ZINC000518645103 853602700 /nfs/dbraw/zinc/60/27/00/853602700.db2.gz HMLMXVDVXVZJSW-UHFFFAOYSA-N -1 3 388.468 3.749 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1OC ZINC000054984324 853624024 /nfs/dbraw/zinc/62/40/24/853624024.db2.gz VYABRCAEDJCFKR-UHFFFAOYSA-N -1 3 397.497 3.713 20 0 GHADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1O ZINC000519946327 853639268 /nfs/dbraw/zinc/63/92/68/853639268.db2.gz VLYCHONSPVIWMN-UHFFFAOYSA-N -1 3 394.431 3.536 20 0 GHADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000570961794 853661608 /nfs/dbraw/zinc/66/16/08/853661608.db2.gz QKQLQVZSNDEXSW-UHFFFAOYSA-N -1 3 390.505 3.513 20 0 GHADHM CCCN(C(=O)c1c(C)cccc1[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000625592830 862508067 /nfs/dbraw/zinc/50/80/67/862508067.db2.gz YMFVOIHWHVDFIO-UHFFFAOYSA-N -1 3 382.508 3.629 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1occc1CSc1ccccc1 ZINC000481912289 862510057 /nfs/dbraw/zinc/51/00/57/862510057.db2.gz VTEOKYFSNUIRHV-UHFFFAOYSA-N -1 3 382.367 3.639 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N[N-]C(=O)c1ccc(C)nc1Cl ZINC000044977009 853982176 /nfs/dbraw/zinc/98/21/76/853982176.db2.gz ZCIHKXSAUCWVBN-UHFFFAOYSA-N -1 3 386.864 3.550 20 0 GHADHM CCc1nnc([C@H](C)N[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]1 ZINC000623925686 862530805 /nfs/dbraw/zinc/53/08/05/862530805.db2.gz LWMSYLAWOYTFGT-CABCVRRESA-N -1 3 399.520 3.580 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccccc2F)sc1Cl ZINC000473908332 854232273 /nfs/dbraw/zinc/23/22/73/854232273.db2.gz DKDISEQMODGFBC-AWEZNQCLSA-N -1 3 399.900 3.650 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(Sc2ccccc2)CCCC1 ZINC000473939459 854351210 /nfs/dbraw/zinc/35/12/10/854351210.db2.gz JBMFVEJLFRUQSU-UHFFFAOYSA-N -1 3 379.489 3.834 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(Sc2ccccc2)CCCC1 ZINC000473939459 854351215 /nfs/dbraw/zinc/35/12/15/854351215.db2.gz JBMFVEJLFRUQSU-UHFFFAOYSA-N -1 3 379.489 3.834 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481944725 862556864 /nfs/dbraw/zinc/55/68/64/862556864.db2.gz RBYAZQXCZPDRMM-ZDUSSCGKSA-N -1 3 381.407 3.511 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)[n-]1 ZINC000588717817 854380017 /nfs/dbraw/zinc/38/00/17/854380017.db2.gz QJLYVBNOPOWJHX-NSHDSACASA-N -1 3 387.823 3.799 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)c[n-]1 ZINC000588717817 854380025 /nfs/dbraw/zinc/38/00/25/854380025.db2.gz QJLYVBNOPOWJHX-NSHDSACASA-N -1 3 387.823 3.799 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccn(C)n2)c2ccc(F)cc2)sc1Cl ZINC000473951211 854395625 /nfs/dbraw/zinc/39/56/25/854395625.db2.gz ZVODVPWTTWGFDJ-HNNXBMFYSA-N -1 3 399.900 3.650 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2coc(C)n2)c(C(=O)OC(C)(C)C)c1C ZINC000588848102 854546680 /nfs/dbraw/zinc/54/66/80/854546680.db2.gz OSAJGIRZLJLVIT-UHFFFAOYSA-N -1 3 394.449 3.737 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccnc3OC3CCCC3)nc2)n1 ZINC000068665481 854607822 /nfs/dbraw/zinc/60/78/22/854607822.db2.gz HKWKWMQWDUTDJY-UHFFFAOYSA-N -1 3 391.475 3.723 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cc1 ZINC000068666727 854607993 /nfs/dbraw/zinc/60/79/93/854607993.db2.gz SJSRSTGXNDKXDF-UHFFFAOYSA-N -1 3 391.475 3.745 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)ccc1Cl ZINC000655579793 854654741 /nfs/dbraw/zinc/65/47/41/854654741.db2.gz YOTLOPFXEHUIKL-KRWDZBQOSA-N -1 3 380.897 3.834 20 0 GHADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000330428558 854670740 /nfs/dbraw/zinc/67/07/40/854670740.db2.gz URRBSHOEWQRYFC-MFKMUULPSA-N -1 3 396.734 3.584 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000069604141 854680119 /nfs/dbraw/zinc/68/01/19/854680119.db2.gz VJUSWLKKSYGRHY-NSHDSACASA-N -1 3 397.324 3.775 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(C)c1 ZINC000589149063 854724388 /nfs/dbraw/zinc/72/43/88/854724388.db2.gz IMUCQLMBDBDFSS-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C)C(F)(F)F ZINC000330725860 854739117 /nfs/dbraw/zinc/73/91/17/854739117.db2.gz ZPTXJSYAXFAEGD-AWEZNQCLSA-N -1 3 395.834 3.581 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)c(C)c1C ZINC000330134765 862603948 /nfs/dbraw/zinc/60/39/48/862603948.db2.gz HAEGBEWXGSTXKS-MRXNPFEDSA-N -1 3 377.510 3.647 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccoc1C(F)(F)F ZINC000589400130 854832914 /nfs/dbraw/zinc/83/29/14/854832914.db2.gz QYFVPKFZFTVBTG-UHFFFAOYSA-N -1 3 397.090 3.861 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nnn1-c1cccc(C)c1 ZINC000732944366 862611123 /nfs/dbraw/zinc/61/11/23/862611123.db2.gz QETJHLHMWNJNDQ-UHFFFAOYSA-N -1 3 394.435 3.794 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c(=O)c2c(OC)c1 ZINC000624048577 862612448 /nfs/dbraw/zinc/61/24/48/862612448.db2.gz PCUUYBVRSZUINC-JLJPHGGASA-N -1 3 386.492 3.736 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)c1 ZINC000589435760 854893861 /nfs/dbraw/zinc/89/38/61/854893861.db2.gz WUIPZBHILKLLHU-UHFFFAOYSA-N -1 3 397.378 3.701 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccco1 ZINC000188673121 854899929 /nfs/dbraw/zinc/89/99/29/854899929.db2.gz MBMPAZQIDZEKSR-AWEZNQCLSA-N -1 3 378.450 3.898 20 0 GHADHM C[C@@H](c1nc(C2CC2)no1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053040349 854921864 /nfs/dbraw/zinc/92/18/64/854921864.db2.gz YOSUGTXCVDNSHG-NSHDSACASA-N -1 3 390.871 3.718 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](CC4CC4)C3)nc(=O)c2c1C ZINC000550409783 855029714 /nfs/dbraw/zinc/02/97/14/855029714.db2.gz ZOXQTNWBWOSSQJ-TZMCWYRMSA-N -1 3 389.521 3.653 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(Br)c1 ZINC000572879241 855051066 /nfs/dbraw/zinc/05/10/66/855051066.db2.gz WXRFNUGOZLRJNU-UHFFFAOYSA-N -1 3 385.283 3.777 20 0 GHADHM COc1ccc(CCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000520467680 855104631 /nfs/dbraw/zinc/10/46/31/855104631.db2.gz AXVVQOOTFUCTJV-UHFFFAOYSA-N -1 3 392.459 3.921 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC(C)(C)C2)ccc1F ZINC001128063382 855225481 /nfs/dbraw/zinc/22/54/81/855225481.db2.gz DKJUXHXCHMURKS-AWEZNQCLSA-N -1 3 384.517 3.601 20 0 GHADHM COc1ccnc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000106860678 855308650 /nfs/dbraw/zinc/30/86/50/855308650.db2.gz KIZIPRGNRLDJEX-UHFFFAOYSA-N -1 3 397.500 3.523 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)ccc1OC(C)C ZINC000055583281 855352066 /nfs/dbraw/zinc/35/20/66/855352066.db2.gz FPJXJGGOYXZOIJ-UHFFFAOYSA-N -1 3 388.489 3.932 20 0 GHADHM CC(C)[C@@H]1C[C@H]1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000459069435 855386501 /nfs/dbraw/zinc/38/65/01/855386501.db2.gz QZAJWGWIFXPYMS-HOCLYGCPSA-N -1 3 393.915 3.698 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Oc4ccccc4Cl)C3)nc2)n1 ZINC000131788090 855390208 /nfs/dbraw/zinc/39/02/08/855390208.db2.gz OAHVGIBHUANIJL-MRXNPFEDSA-N -1 3 396.878 3.705 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000590472729 855417038 /nfs/dbraw/zinc/41/70/38/855417038.db2.gz RWPNBPYERXFMJV-LBPRGKRZSA-N -1 3 390.365 3.820 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000590472729 855417044 /nfs/dbraw/zinc/41/70/44/855417044.db2.gz RWPNBPYERXFMJV-LBPRGKRZSA-N -1 3 390.365 3.820 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OCCC(C)C)cc3)CCCC2)no1 ZINC000056054883 855462136 /nfs/dbraw/zinc/46/21/36/855462136.db2.gz GRZABFDDLWVPSO-UHFFFAOYSA-N -1 3 393.509 3.551 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1 ZINC000029008509 855553625 /nfs/dbraw/zinc/55/36/25/855553625.db2.gz OVBSBBXMTUZNHW-UHFFFAOYSA-N -1 3 394.499 3.600 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1C ZINC000573004254 855685314 /nfs/dbraw/zinc/68/53/14/855685314.db2.gz USVCSJDSTKDIQV-DOMZBBRYSA-N -1 3 382.382 3.547 20 0 GHADHM CCOC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000573025531 855692521 /nfs/dbraw/zinc/69/25/21/855692521.db2.gz OPMHWGQUWIEGOJ-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1)c1ccncc1 ZINC000591045896 855736482 /nfs/dbraw/zinc/73/64/82/855736482.db2.gz JPZPPUPRHBAAAL-UHFFFAOYSA-N -1 3 393.468 3.623 20 0 GHADHM COc1c(Br)cccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417623087 855753738 /nfs/dbraw/zinc/75/37/38/855753738.db2.gz JDYYQMDHPUQZRA-GOEBONIOSA-N -1 3 376.250 3.861 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000108235914 855771385 /nfs/dbraw/zinc/77/13/85/855771385.db2.gz RSMPRURGQSUPGQ-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM C[C@H](CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482139413 862724802 /nfs/dbraw/zinc/72/48/02/862724802.db2.gz HPQXLSRMVAFFDQ-CYBMUJFWSA-N -1 3 387.281 3.786 20 0 GHADHM CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000765861389 855830412 /nfs/dbraw/zinc/83/04/12/855830412.db2.gz CWROKWVOJJFRQS-XOBRGWDASA-N -1 3 380.460 3.621 20 0 GHADHM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000573123153 855852878 /nfs/dbraw/zinc/85/28/78/855852878.db2.gz BEOIWIMZYJSNDL-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000186445352 855888923 /nfs/dbraw/zinc/88/89/23/855888923.db2.gz UOVNZUQTMLKRTK-UHFFFAOYSA-N -1 3 377.437 3.756 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591427503 855974014 /nfs/dbraw/zinc/97/40/14/855974014.db2.gz BHSYIICLXFUHRM-SECBINFHSA-N -1 3 377.227 3.710 20 0 GHADHM COc1ccc2c(c1NC(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000485006389 855999607 /nfs/dbraw/zinc/99/96/07/855999607.db2.gz COMHTKHPYIPWJV-UHFFFAOYSA-N -1 3 391.265 3.974 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000573291107 856014388 /nfs/dbraw/zinc/01/43/88/856014388.db2.gz ABQBARRWYMRWQD-UYAOXDASSA-N -1 3 394.475 3.723 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2ncc(C(C)(C)C)s2)n[n-]1 ZINC000895104349 856015148 /nfs/dbraw/zinc/01/51/48/856015148.db2.gz FCBGPHUQJKCFKI-LBPRGKRZSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ncc(C(C)(C)C)s2)[n-]1 ZINC000895104349 856015152 /nfs/dbraw/zinc/01/51/52/856015152.db2.gz FCBGPHUQJKCFKI-LBPRGKRZSA-N -1 3 379.530 3.612 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000029048129 856015931 /nfs/dbraw/zinc/01/59/31/856015931.db2.gz RQODFNSWDRIPHC-UHFFFAOYSA-N -1 3 388.489 3.871 20 0 GHADHM COc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000029650726 856057028 /nfs/dbraw/zinc/05/70/28/856057028.db2.gz JITJKXWKKQDGTN-UHFFFAOYSA-N -1 3 382.869 3.744 20 0 GHADHM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000485078929 856076594 /nfs/dbraw/zinc/07/65/94/856076594.db2.gz NMPZJUYAVQFRTO-UHFFFAOYSA-N -1 3 379.503 3.510 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000030531544 856110273 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GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000195504452 856437169 /nfs/dbraw/zinc/43/71/69/856437169.db2.gz UARGNSBPGRNEHI-UHFFFAOYSA-N -1 3 394.880 3.813 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046125843 856512789 /nfs/dbraw/zinc/51/27/89/856512789.db2.gz HNXHKTNIFCIMDZ-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM Cc1c(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)sc2nc(C)nc(C)c12 ZINC000905741092 856535062 /nfs/dbraw/zinc/53/50/62/856535062.db2.gz YEIQJORGJCFNET-UHFFFAOYSA-N -1 3 387.427 3.846 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000482220842 862821408 /nfs/dbraw/zinc/82/14/08/862821408.db2.gz NWZDXYRZXFLGAY-HTQZYQBOSA-N -1 3 379.169 3.550 20 0 GHADHM CCOc1ccc(F)c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1F ZINC000507936565 856685310 /nfs/dbraw/zinc/68/53/10/856685310.db2.gz QVWGVQWVNSBTCQ-UHFFFAOYSA-N -1 3 385.285 3.721 20 0 GHADHM CCCCCn1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000482229448 862830176 /nfs/dbraw/zinc/83/01/76/862830176.db2.gz NSGREPLOESIIQT-UHFFFAOYSA-N -1 3 379.386 3.898 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cncc(Br)c1 ZINC000507968326 856746971 /nfs/dbraw/zinc/74/69/71/856746971.db2.gz SHUHTZYULCGFKS-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(N3CCCC3)cn2)s1 ZINC000906083632 856796107 /nfs/dbraw/zinc/79/61/07/856796107.db2.gz UCNASDYOSLJUSV-UHFFFAOYSA-N -1 3 389.481 3.738 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c1Cl ZINC000427835217 856802258 /nfs/dbraw/zinc/80/22/58/856802258.db2.gz LVXCLBNEACUUJW-CQSZACIVSA-N -1 3 388.316 3.746 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234380 862839072 /nfs/dbraw/zinc/83/90/72/862839072.db2.gz XKVKMQYJLCVYCG-DZGCQCFKSA-N -1 3 399.292 3.929 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000605158199 862847008 /nfs/dbraw/zinc/84/70/08/862847008.db2.gz LIKCIMRVSLKRLY-OAQYLSRUSA-N -1 3 394.496 3.794 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000007050734 856829478 /nfs/dbraw/zinc/82/94/78/856829478.db2.gz PZRGHCXJLXZUAF-UHFFFAOYSA-N -1 3 391.367 3.712 20 0 GHADHM CN(CCOc1ccc(Cl)cc1Cl)Cc1ccc(OCC(=O)[O-])cc1 ZINC000573976184 856836622 /nfs/dbraw/zinc/83/66/22/856836622.db2.gz AHMAYJPKPTYOAZ-UHFFFAOYSA-N -1 3 384.259 3.968 20 0 GHADHM Cc1ncsc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046572075 856872913 /nfs/dbraw/zinc/87/29/13/856872913.db2.gz FSKJMJICBAPUBZ-UHFFFAOYSA-N -1 3 387.486 3.813 20 0 GHADHM CCCSC[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000592460500 856880309 /nfs/dbraw/zinc/88/03/09/856880309.db2.gz MHUDCDCAOUEQOG-LBPRGKRZSA-N -1 3 398.269 3.737 20 0 GHADHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007304496 856891359 /nfs/dbraw/zinc/89/13/59/856891359.db2.gz SZWJOPSMMGNEBE-UHFFFAOYSA-N -1 3 387.288 3.527 20 0 GHADHM CCCCc1nc(NC(=O)c2sc([C@H](C)OC)nc2C)c(C(=O)OCC)[n-]1 ZINC000485671882 856909530 /nfs/dbraw/zinc/90/95/30/856909530.db2.gz ODGQKLLYEICZPV-NSHDSACASA-N -1 3 394.497 3.654 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCc2csc(C)n2)[nH][n-]1 ZINC000427949498 856919234 /nfs/dbraw/zinc/91/92/34/856919234.db2.gz XZHWCKMZPNVIBQ-UHFFFAOYSA-N -1 3 390.896 3.887 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)c(SC)c2)cc1OC ZINC000499497217 856952530 /nfs/dbraw/zinc/95/25/30/856952530.db2.gz KBLJRVYDCUYWMI-UHFFFAOYSA-N -1 3 398.481 3.570 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000733318187 862857078 /nfs/dbraw/zinc/85/70/78/862857078.db2.gz ZGGPEVRRZPRQNM-OPQQBVKSSA-N -1 3 394.306 3.700 20 0 GHADHM CC(C)N(Cc1ccccn1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906338947 857013633 /nfs/dbraw/zinc/01/36/33/857013633.db2.gz GNORCLMYMSHCEO-UHFFFAOYSA-N -1 3 376.482 3.936 20 0 GHADHM Cc1cc(C)n(-c2ccc(Cc3noc(-c4cc5c(cc4[O-])OCO5)n3)cc2)n1 ZINC000437003263 857061451 /nfs/dbraw/zinc/06/14/51/857061451.db2.gz UPMIWMIIROZCMX-UHFFFAOYSA-N -1 3 390.399 3.564 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccc2ccccc2n1 ZINC000485773335 857062337 /nfs/dbraw/zinc/06/23/37/857062337.db2.gz HQIMJWXUJQDTBX-UHFFFAOYSA-N -1 3 386.249 3.702 20 0 GHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000592863800 857114070 /nfs/dbraw/zinc/11/40/70/857114070.db2.gz XUIKKKLIKWZUNQ-HOTGVXAUSA-N -1 3 397.862 3.911 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(Br)c1 ZINC000675300451 857138824 /nfs/dbraw/zinc/13/88/24/857138824.db2.gz OQYFJMAWIDOERJ-UHFFFAOYSA-N -1 3 385.283 3.777 20 0 GHADHM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000057119978 857147717 /nfs/dbraw/zinc/14/77/17/857147717.db2.gz CBBWEDQWRXTEBT-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000265791674 857154733 /nfs/dbraw/zinc/15/47/33/857154733.db2.gz LYBYAKUMNWVYEE-LJQANCHMSA-N -1 3 392.858 3.840 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]1C ZINC000112625839 857166439 /nfs/dbraw/zinc/16/64/39/857166439.db2.gz RHELQPIDGCKOPS-JTNHKYCSSA-N -1 3 377.282 3.845 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(F)(F)F ZINC000058619739 857176522 /nfs/dbraw/zinc/17/65/22/857176522.db2.gz DYPDQXGSZVJBOW-UHFFFAOYSA-N -1 3 383.347 3.921 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)[N-]OCc2ccccn2)c1Cl ZINC000909547001 862886915 /nfs/dbraw/zinc/88/69/15/862886915.db2.gz TYBJWYDHEJYPMO-UHFFFAOYSA-N -1 3 391.855 3.873 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000281218317 862892784 /nfs/dbraw/zinc/89/27/84/862892784.db2.gz FAGKFVOJMGEGAN-UHFFFAOYSA-N -1 3 376.888 3.755 20 0 GHADHM O=C(COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[N-]C(=O)c1cccs1 ZINC000046316510 857285563 /nfs/dbraw/zinc/28/55/63/857285563.db2.gz LYWIDRWAQXUORC-UHFFFAOYSA-N -1 3 397.239 3.650 20 0 GHADHM C[C@](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000520851272 857296850 /nfs/dbraw/zinc/29/68/50/857296850.db2.gz DOBAZDYKHHJPAF-ZJSXRUAMSA-N -1 3 394.515 3.590 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1Cl ZINC000672430488 857318295 /nfs/dbraw/zinc/31/82/95/857318295.db2.gz MDZVXHGRGSXYJN-UHFFFAOYSA-N -1 3 378.199 3.621 20 0 GHADHM O=C(Nc1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000059122567 857390715 /nfs/dbraw/zinc/39/07/15/857390715.db2.gz KTTFCKBUFWAUGJ-UHFFFAOYSA-N -1 3 375.428 3.535 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1CN1CCCCC1)c1c(F)cc(F)cc1F ZINC000060498069 857448233 /nfs/dbraw/zinc/44/82/33/857448233.db2.gz HLYOTWUBWJVGPM-UHFFFAOYSA-N -1 3 398.450 3.568 20 0 GHADHM COc1cc(C(=O)NCC2(c3c(F)cccc3F)CCCC2)cc(OC)c1[O-] ZINC000486234114 857575353 /nfs/dbraw/zinc/57/53/53/857575353.db2.gz HDNYSJUUKZCNQM-UHFFFAOYSA-N -1 3 391.414 3.929 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000675819986 857624978 /nfs/dbraw/zinc/62/49/78/857624978.db2.gz VKGQINREQKSPRG-MRXNPFEDSA-N -1 3 375.266 3.950 20 0 GHADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000676055682 857719843 /nfs/dbraw/zinc/71/98/43/857719843.db2.gz JSGLJXGVNMUJBH-UHFFFAOYSA-N -1 3 380.286 3.653 20 0 GHADHM CN(Cc1cc(Br)ccc1Cl)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907727186 857754567 /nfs/dbraw/zinc/75/45/67/857754567.db2.gz TVOIXHQTWMGCEA-UHFFFAOYSA-N -1 3 396.672 3.748 20 0 GHADHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000065117320 857775160 /nfs/dbraw/zinc/77/51/60/857775160.db2.gz VQFMMMIVAJRPCS-HNNXBMFYSA-N -1 3 391.471 3.582 20 0 GHADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065816087 857857199 /nfs/dbraw/zinc/85/71/99/857857199.db2.gz QIVHOQVOMHBMSL-AWEZNQCLSA-N -1 3 395.459 3.500 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000676394765 857862197 /nfs/dbraw/zinc/86/21/97/857862197.db2.gz CUHLOKCERYWJHN-HXUWFJFHSA-N -1 3 386.879 3.823 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(-c3ccsc3)no2)c1 ZINC000109476248 857869059 /nfs/dbraw/zinc/86/90/59/857869059.db2.gz BBTVIRSDAYFKFT-UHFFFAOYSA-N -1 3 390.421 3.733 20 0 GHADHM COCc1nc2sc(C(=O)Nc3cc(Cl)ccc3[O-])c(C)c2c(OC)n1 ZINC000067139042 858003289 /nfs/dbraw/zinc/00/32/89/858003289.db2.gz RKCBJRHBZBXJFU-UHFFFAOYSA-N -1 3 393.852 3.766 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000521446697 858006821 /nfs/dbraw/zinc/00/68/21/858006821.db2.gz KVQSZRPWRYTTPY-IBGZPJMESA-N -1 3 387.911 3.888 20 0 GHADHM O=C(NCCc1ccc2[nH]ccc2c1)NCc1ccc([O-])c(Br)c1 ZINC000442656778 858031534 /nfs/dbraw/zinc/03/15/34/858031534.db2.gz RXERNCNXMVXAEN-UHFFFAOYSA-N -1 3 388.265 3.678 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)c1 ZINC000521485287 858056011 /nfs/dbraw/zinc/05/60/11/858056011.db2.gz NRSBJKUYCSTVBC-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)on1 ZINC000114499051 858063167 /nfs/dbraw/zinc/06/31/67/858063167.db2.gz LLMBWJVFUMICNZ-UHFFFAOYSA-N -1 3 380.800 3.531 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1cccc(Br)c1F ZINC000544349079 858063558 /nfs/dbraw/zinc/06/35/58/858063558.db2.gz PUIYNEQNDLDSAS-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM Cc1nc(CN2CCN(c3c(C(=O)[O-])cnc4c(C)cc(C)cc43)CC2)cs1 ZINC000574575090 858092999 /nfs/dbraw/zinc/09/29/99/858092999.db2.gz ZHONIRUAGAUZEI-UHFFFAOYSA-N -1 3 396.516 3.637 20 0 GHADHM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000594350484 858100503 /nfs/dbraw/zinc/10/05/03/858100503.db2.gz IDEYHSPZTAMXNS-UHFFFAOYSA-N -1 3 383.448 3.586 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(F)cc1F ZINC000442742499 858104229 /nfs/dbraw/zinc/10/42/29/858104229.db2.gz CTWGUFMTSDGLTA-ZDUSSCGKSA-N -1 3 380.338 3.808 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000574634386 858125129 /nfs/dbraw/zinc/12/51/29/858125129.db2.gz QPCPRFXAMJZALO-WMLDXEAASA-N -1 3 398.507 3.611 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000521634318 858182804 /nfs/dbraw/zinc/18/28/04/858182804.db2.gz MZNITIPLXSNWJR-UHFFFAOYSA-N -1 3 398.290 3.912 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)[n-]n1 ZINC000181752018 862998322 /nfs/dbraw/zinc/99/83/22/862998322.db2.gz BFXZLVBWRZHFMC-CHWSQXEVSA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n[n-]1 ZINC000181752018 862998328 /nfs/dbraw/zinc/99/83/28/862998328.db2.gz BFXZLVBWRZHFMC-CHWSQXEVSA-N -1 3 396.472 3.885 20 0 GHADHM O=S(=O)([N-]CCCSc1ccccc1)c1cnccc1C(F)(F)F ZINC000442903423 858229298 /nfs/dbraw/zinc/22/92/98/858229298.db2.gz AYTMLODMCITUFH-UHFFFAOYSA-N -1 3 376.425 3.561 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(F)cc1F ZINC000521691824 858235793 /nfs/dbraw/zinc/23/57/93/858235793.db2.gz XWBLYFQPDIUENS-GXTWGEPZSA-N -1 3 388.233 3.562 20 0 GHADHM CSc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000442977034 858266601 /nfs/dbraw/zinc/26/66/01/858266601.db2.gz NZKAHBSLGDACRN-WMLDXEAASA-N -1 3 384.501 3.596 20 0 GHADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000594695881 858270981 /nfs/dbraw/zinc/27/09/81/858270981.db2.gz KQBRAAVPRURBMG-UHFFFAOYSA-N -1 3 375.490 3.863 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN1Cc1ccccc1 ZINC000521745369 858293974 /nfs/dbraw/zinc/29/39/74/858293974.db2.gz JFGSMYRYEJQZEQ-INIZCTEOSA-N -1 3 375.266 3.758 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)CC(C)(C)c1ccccc1 ZINC000443022820 858301151 /nfs/dbraw/zinc/30/11/51/858301151.db2.gz IJLOZMBAFCLDQB-CQSZACIVSA-N -1 3 393.480 3.647 20 0 GHADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000443014806 858312301 /nfs/dbraw/zinc/31/23/01/858312301.db2.gz QEACTHFEXSJGGJ-NSHDSACASA-N -1 3 393.408 3.507 20 0 GHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)no1 ZINC000443151563 858424702 /nfs/dbraw/zinc/42/47/02/858424702.db2.gz AUAUAUDLAGVQMX-UHFFFAOYSA-N -1 3 385.898 3.714 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000443233172 858479413 /nfs/dbraw/zinc/47/94/13/858479413.db2.gz HPGYGCRKGDOZGA-QGZVFWFLSA-N -1 3 377.437 3.672 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000574996062 858488966 /nfs/dbraw/zinc/48/89/66/858488966.db2.gz SNTNELXDFWJAHQ-GOSISDBHSA-N -1 3 398.297 3.543 20 0 GHADHM COc1ccc(-c2n[n-]c(=NC3CCN([C@@H](C)c4ccncc4)CC3)s2)cc1 ZINC000575117964 858570362 /nfs/dbraw/zinc/57/03/62/858570362.db2.gz VKVCSOYKXQXJKC-HNNXBMFYSA-N -1 3 395.532 3.668 20 0 GHADHM O=C([O-])c1ccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000575196997 858601543 /nfs/dbraw/zinc/60/15/43/858601543.db2.gz BIOGBZFLCVSBGJ-HNNXBMFYSA-N -1 3 375.362 3.705 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)c2cccc(CN3CCCCC3)c2)sc1C(=O)[O-] ZINC000909503875 858703016 /nfs/dbraw/zinc/70/30/16/858703016.db2.gz MRSIBGDOQBDPCO-CQSZACIVSA-N -1 3 387.505 3.627 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000729534574 858704745 /nfs/dbraw/zinc/70/47/45/858704745.db2.gz RWJLVJVFUNMBJO-MRXNPFEDSA-N -1 3 388.345 3.566 20 0 GHADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)n1 ZINC000183351598 858725603 /nfs/dbraw/zinc/72/56/03/858725603.db2.gz GGEVAYOTPSOANR-UHFFFAOYSA-N -1 3 376.445 3.768 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3C(=O)NCC(C)C)c[n-]c12 ZINC000804202417 858796060 /nfs/dbraw/zinc/79/60/60/858796060.db2.gz QFEBDVOQLRYSRE-UHFFFAOYSA-N -1 3 395.434 3.614 20 0 GHADHM CCc1cc2c(CN3CCSC[C@H]3c3nccs3)cc(=O)oc2cc1[O-] ZINC000187038976 858862024 /nfs/dbraw/zinc/86/20/24/858862024.db2.gz NWUDIOYWVPJXHD-HNNXBMFYSA-N -1 3 388.514 3.808 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000522252185 858905373 /nfs/dbraw/zinc/90/53/73/858905373.db2.gz YXMQPFWSOSCJGQ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000522252185 858905377 /nfs/dbraw/zinc/90/53/77/858905377.db2.gz YXMQPFWSOSCJGQ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1c(Cl)cccc1Br ZINC000509290166 858962947 /nfs/dbraw/zinc/96/29/47/858962947.db2.gz ZQDPFLIDCMAOCA-LLVKDONJSA-N -1 3 396.734 3.730 20 0 GHADHM Cc1ncc(CNCc2csc(-c3cccc(Br)c3)n2)c(=O)[n-]1 ZINC000543239867 859000189 /nfs/dbraw/zinc/00/01/89/859000189.db2.gz NZAPKRWBRXBUKU-UHFFFAOYSA-N -1 3 391.294 3.666 20 0 GHADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000429338881 859077329 /nfs/dbraw/zinc/07/73/29/859077329.db2.gz NRFFFGDWANYFKH-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000483074238 859124257 /nfs/dbraw/zinc/12/42/57/859124257.db2.gz JJHJMQXGAXZPOL-GFCCVEGCSA-N -1 3 395.410 3.668 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-][C@H](C3CCCC3)C(F)(F)F)c3cccc1c23 ZINC000185807385 859130634 /nfs/dbraw/zinc/13/06/34/859130634.db2.gz ODXYGCKJTXISJU-MRXNPFEDSA-N -1 3 398.406 3.805 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000483096793 859134630 /nfs/dbraw/zinc/13/46/30/859134630.db2.gz KVCLFIDMUNTWTK-WLTAIBSBSA-N -1 3 387.793 3.673 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](CCO)C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000522368716 859213404 /nfs/dbraw/zinc/21/34/04/859213404.db2.gz YXEVVTRKZMJICX-SFHVURJKSA-N -1 3 384.480 3.610 20 0 GHADHM Cc1ncc(CNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c(=O)[n-]1 ZINC000543315645 859245514 /nfs/dbraw/zinc/24/55/14/859245514.db2.gz GUVRVASDZLUBNJ-UHFFFAOYSA-N -1 3 395.271 3.851 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068961810 859273563 /nfs/dbraw/zinc/27/35/63/859273563.db2.gz LSBWCJDVWFFHDC-UHFFFAOYSA-N -1 3 392.488 3.506 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068961810 859273575 /nfs/dbraw/zinc/27/35/75/859273575.db2.gz LSBWCJDVWFFHDC-UHFFFAOYSA-N -1 3 392.488 3.506 20 0 GHADHM C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000626017790 859348857 /nfs/dbraw/zinc/34/88/57/859348857.db2.gz CFIZUGCIBRSDHV-YMTOWFKASA-N -1 3 399.394 3.809 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000117263820 859374124 /nfs/dbraw/zinc/37/41/24/859374124.db2.gz RSMRLKPUISPETQ-AWEZNQCLSA-N -1 3 393.484 3.607 20 0 GHADHM CC[C@H](CC(F)(F)F)N=c1cc(N[C@H](CC)CC(F)(F)F)n2[n-]cnc2n1 ZINC000480118231 859382180 /nfs/dbraw/zinc/38/21/80/859382180.db2.gz OBLHBCZREVWVTK-NXEZZACHSA-N -1 3 398.355 3.832 20 0 GHADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509423579 859392909 /nfs/dbraw/zinc/39/29/09/859392909.db2.gz WMMBQFRWMIXKGG-SNVBAGLBSA-N -1 3 393.814 3.974 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000509424901 859393861 /nfs/dbraw/zinc/39/38/61/859393861.db2.gz GKZCUJVDHOBNRD-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000509424901 859393870 /nfs/dbraw/zinc/39/38/70/859393870.db2.gz GKZCUJVDHOBNRD-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483541338 859438351 /nfs/dbraw/zinc/43/83/51/859438351.db2.gz GEVFXNXJFIABGI-KGLIPLIRSA-N -1 3 381.402 3.691 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000483569404 859466261 /nfs/dbraw/zinc/46/62/61/859466261.db2.gz PSEOIRCNDLEMTM-UHFFFAOYSA-N -1 3 385.365 3.617 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1NC1CC(C)(C)OC(C)(C)C1 ZINC001170362886 881426071 /nfs/dbraw/zinc/42/60/71/881426071.db2.gz NRDSFPBNLUWLST-UHFFFAOYSA-N -1 3 380.514 3.673 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1NC1CC(C)(C)OC(C)(C)C1 ZINC001170362886 881426077 /nfs/dbraw/zinc/42/60/77/881426077.db2.gz NRDSFPBNLUWLST-UHFFFAOYSA-N -1 3 380.514 3.673 20 0 GHADHM O=c1[n-]c(CN(CCO)[C@H]2CCCc3ccccc32)nc2c3ccccc3oc21 ZINC000114192832 859490840 /nfs/dbraw/zinc/49/08/40/859490840.db2.gz PEQHYTFXMWXNAR-SFHVURJKSA-N -1 3 389.455 3.541 20 0 GHADHM CO[C@@H](C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccc(O)cc1 ZINC000764618136 859536059 /nfs/dbraw/zinc/53/60/59/859536059.db2.gz ZMZQWMFPMJZJLO-ZUZCIYMTSA-N -1 3 388.445 3.711 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])C1CCC(F)(F)CC1 ZINC000611156311 859623783 /nfs/dbraw/zinc/62/37/83/859623783.db2.gz AWEVZJZWCHOOQW-UHFFFAOYSA-N -1 3 381.160 3.761 20 0 GHADHM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000611156530 859624744 /nfs/dbraw/zinc/62/47/44/859624744.db2.gz LNUHWYIEHJSFMI-SNVBAGLBSA-N -1 3 389.233 3.721 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503942 859627487 /nfs/dbraw/zinc/62/74/87/859627487.db2.gz MGVQGKSYJUCSSS-CHWSQXEVSA-N -1 3 397.406 3.579 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)c1[O-] ZINC000673527380 859678116 /nfs/dbraw/zinc/67/81/16/859678116.db2.gz ZTMDYUBOQRFCBU-KRWDZBQOSA-N -1 3 388.851 3.641 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)nc4ccccc43)nc21 ZINC000764944972 859702169 /nfs/dbraw/zinc/70/21/69/859702169.db2.gz LZOIBPQKZVIBNX-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)c2)o1 ZINC000483932095 859705412 /nfs/dbraw/zinc/70/54/12/859705412.db2.gz UADURTBGRSQYTA-UHFFFAOYSA-N -1 3 382.391 3.663 20 0 GHADHM O=C(NCCc1cccc2ccccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052848480 859808466 /nfs/dbraw/zinc/80/84/66/859808466.db2.gz OFNHBHRMQHAJIY-OAQYLSRUSA-N -1 3 388.467 3.509 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602195294 859857676 /nfs/dbraw/zinc/85/76/76/859857676.db2.gz QLTDHAQULZHHIQ-UHFFFAOYSA-N -1 3 377.897 3.653 20 0 GHADHM O=C([O-])[C@H]1C[C@@H](NCc2cc3c(c(Br)c2)OCO3)c2ccccc21 ZINC000417619947 859908167 /nfs/dbraw/zinc/90/81/67/859908167.db2.gz KVXPMZYWAYTZPQ-DZGCQCFKSA-N -1 3 390.233 3.581 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c([O-])c1 ZINC000191703114 860001880 /nfs/dbraw/zinc/00/18/80/860001880.db2.gz PSMAWOKDEBIJIQ-SFHVURJKSA-N -1 3 382.460 3.515 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000436538906 860023978 /nfs/dbraw/zinc/02/39/78/860023978.db2.gz XBIXMDUGAYMGEF-HNNXBMFYSA-N -1 3 393.399 3.538 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000154222983 860026596 /nfs/dbraw/zinc/02/65/96/860026596.db2.gz XRYZVEZOKZXOAL-CYBMUJFWSA-N -1 3 397.740 3.649 20 0 GHADHM Cc1c(NC(=O)c2cc3c(cc2[O-])OCO3)cccc1C(=O)Nc1ccccc1 ZINC000436545304 860043080 /nfs/dbraw/zinc/04/30/80/860043080.db2.gz NHBMPAQPWFXXKJ-UHFFFAOYSA-N -1 3 390.395 3.934 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2Cl)s1 ZINC000123739032 860065059 /nfs/dbraw/zinc/06/50/59/860065059.db2.gz ARRKLJDMEZMXKW-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2Cl)s1 ZINC000123739032 860065070 /nfs/dbraw/zinc/06/50/70/860065070.db2.gz ARRKLJDMEZMXKW-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNCCc1ccc(CC(=O)[O-])cc1 ZINC000904057559 860077763 /nfs/dbraw/zinc/07/77/63/860077763.db2.gz VJQSZOVWCCXKLV-UHFFFAOYSA-N -1 3 397.906 3.853 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC1CC(CC(=O)[O-])C1 ZINC000904062603 860083917 /nfs/dbraw/zinc/08/39/17/860083917.db2.gz ONEZPNCOLFKDGR-UHFFFAOYSA-N -1 3 382.291 3.890 20 0 GHADHM CCN(C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1)CC(F)(F)F ZINC000280309304 860087730 /nfs/dbraw/zinc/08/77/30/860087730.db2.gz HUOOVEZTVPNHBH-CQSZACIVSA-N -1 3 380.410 3.892 20 0 GHADHM O=C([O-])CC[C@H](NCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000904072555 860097607 /nfs/dbraw/zinc/09/76/07/860097607.db2.gz NVFJYJACDQOYPQ-INIZCTEOSA-N -1 3 390.281 3.812 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)n[n-]1 ZINC000727486723 860113578 /nfs/dbraw/zinc/11/35/78/860113578.db2.gz PQLCHRJXRLATIZ-UHFFFAOYSA-N -1 3 392.282 3.547 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000727554767 860134691 /nfs/dbraw/zinc/13/46/91/860134691.db2.gz QUWSFGXKZXEYHU-UHFFFAOYSA-N -1 3 387.501 3.868 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1Oc1ccccc1 ZINC000525927622 860135537 /nfs/dbraw/zinc/13/55/37/860135537.db2.gz HXYWETLCONPVLH-NNWRFLSQSA-N -1 3 377.440 3.900 20 0 GHADHM COCCN1C(=O)CCc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc21 ZINC000526919952 860163324 /nfs/dbraw/zinc/16/33/24/860163324.db2.gz GBUBGJWTPJXZLT-UHFFFAOYSA-N -1 3 390.439 3.723 20 0 GHADHM CCO[C@@H](c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)C1CCCC1 ZINC000904144897 860175575 /nfs/dbraw/zinc/17/55/75/860175575.db2.gz DEYRHTKFZIEVHX-WMLDXEAASA-N -1 3 393.509 3.685 20 0 GHADHM CCCCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC000904196378 860224795 /nfs/dbraw/zinc/22/47/95/860224795.db2.gz YJYODWXEGLHVMX-MOPGFXCFSA-N -1 3 392.540 3.996 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@H](C[C@H]3CCOC3)c3ccccc3)o2)CC1 ZINC000904226150 860250869 /nfs/dbraw/zinc/25/08/69/860250869.db2.gz RPRQVUWHGQCYLX-DYESRHJHSA-N -1 3 398.503 3.838 20 0 GHADHM O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1[O-] ZINC000535371799 860261043 /nfs/dbraw/zinc/26/10/43/860261043.db2.gz BOZPCBYQWDVTLI-UHFFFAOYSA-N -1 3 378.251 3.762 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCC4(CCSCC4)CC3)o2)CC1 ZINC000904253866 860292593 /nfs/dbraw/zinc/29/25/93/860292593.db2.gz DAYVYCHGXXGOEB-UHFFFAOYSA-N -1 3 378.538 3.690 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2cccs2)no1 ZINC000904279246 860308182 /nfs/dbraw/zinc/30/81/82/860308182.db2.gz JYAWUMCBPRIGQA-ZDUSSCGKSA-N -1 3 395.531 3.571 20 0 GHADHM COc1cc2c(c(OC)c1OC)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC000508967671 860319880 /nfs/dbraw/zinc/31/98/80/860319880.db2.gz NAJWHEFZJDEMOZ-UHFFFAOYSA-N -1 3 377.868 3.672 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1NC(C)=O ZINC000024437622 860325304 /nfs/dbraw/zinc/32/53/04/860325304.db2.gz AFDYWQMFVWRURV-UHFFFAOYSA-N -1 3 390.505 3.997 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000474544070 860329165 /nfs/dbraw/zinc/32/91/65/860329165.db2.gz XWSJZTAMOJIEAJ-AWEZNQCLSA-N -1 3 393.256 3.993 20 0 GHADHM O=C(NCCCOc1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000765649613 860375709 /nfs/dbraw/zinc/37/57/09/860375709.db2.gz IYMUDJYWWMHKOU-UHFFFAOYSA-N -1 3 397.244 3.562 20 0 GHADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000765648006 860378341 /nfs/dbraw/zinc/37/83/41/860378341.db2.gz QNDREAFXFUBJSW-XFXZXTDPSA-N -1 3 392.452 3.633 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cccc(Cl)c1Cl ZINC000026818290 860599878 /nfs/dbraw/zinc/59/98/78/860599878.db2.gz CEPYRRAMSWOLQP-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)on1 ZINC000625018298 860729129 /nfs/dbraw/zinc/72/91/29/860729129.db2.gz WQBQRHGVAQDFSH-GOSISDBHSA-N -1 3 384.473 3.524 20 0 GHADHM CCn1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c2ccccc21 ZINC000509067933 860773806 /nfs/dbraw/zinc/77/38/06/860773806.db2.gz IRJLHNIHHLBNQP-UHFFFAOYSA-N -1 3 383.249 3.746 20 0 GHADHM C[C@@H](Cn1ncc2ccccc21)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000509068631 860786677 /nfs/dbraw/zinc/78/66/77/860786677.db2.gz KACYYEKLRSBBHR-ZDUSSCGKSA-N -1 3 386.415 3.842 20 0 GHADHM COc1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC000625054174 860791350 /nfs/dbraw/zinc/79/13/50/860791350.db2.gz RYRVEGLPHPSDPY-UHFFFAOYSA-N -1 3 384.407 3.900 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)[C@H](C)c1ccc(F)cc1 ZINC000061142464 860799610 /nfs/dbraw/zinc/79/96/10/860799610.db2.gz VCDXTKLQRPFPDW-CYBMUJFWSA-N -1 3 385.395 3.575 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000061142464 860799615 /nfs/dbraw/zinc/79/96/15/860799615.db2.gz VCDXTKLQRPFPDW-CYBMUJFWSA-N -1 3 385.395 3.575 20 0 GHADHM CC(=O)N[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])c1ccc(C)cc1 ZINC000176433037 860873363 /nfs/dbraw/zinc/87/33/63/860873363.db2.gz OROBHLGVEPVGOB-HNNXBMFYSA-N -1 3 391.265 3.669 20 0 GHADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cc(Br)ccc1[O-] ZINC000176432515 860873426 /nfs/dbraw/zinc/87/34/26/860873426.db2.gz WUWXWGGQSDNTGH-LBPRGKRZSA-N -1 3 389.249 3.684 20 0 GHADHM COc1ccc(CCC(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000176433341 860874082 /nfs/dbraw/zinc/87/40/82/860874082.db2.gz MEFQDPNTUPWOET-UHFFFAOYSA-N -1 3 380.238 3.743 20 0 GHADHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176437603 860876131 /nfs/dbraw/zinc/87/61/31/860876131.db2.gz FHCCXXOMXNRDPX-CQSZACIVSA-N -1 3 397.294 3.609 20 0 GHADHM O=C(COC(=O)c1cccc(Br)c1[O-])c1cc2ccccc2o1 ZINC000730366807 861076488 /nfs/dbraw/zinc/07/64/88/861076488.db2.gz WQBNSWKMSOBLBC-UHFFFAOYSA-N -1 3 375.174 3.941 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@H]3OCc3ccccc3)nc2)n1 ZINC000152564885 881615844 /nfs/dbraw/zinc/61/58/44/881615844.db2.gz SEGWFVHLUDWNMG-VQTJNVASSA-N -1 3 390.487 3.944 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)cc2)cc(=O)[n-]1 ZINC000532261925 881617807 /nfs/dbraw/zinc/61/78/07/881617807.db2.gz QAXYFUOLDKKPMS-JQVVWYNYSA-N -1 3 386.455 3.865 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000730592452 861187191 /nfs/dbraw/zinc/18/71/91/861187191.db2.gz OPXVRKJIAKXFLF-FQEVSTJZSA-N -1 3 395.503 3.872 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(Br)c1F ZINC000444018450 863157493 /nfs/dbraw/zinc/15/74/93/863157493.db2.gz DOEDOVFFMFNZKQ-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(Br)c1F ZINC000444018450 863157499 /nfs/dbraw/zinc/15/74/99/863157499.db2.gz DOEDOVFFMFNZKQ-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000444032151 863177521 /nfs/dbraw/zinc/17/75/21/863177521.db2.gz BWBAPHFDQZUIPZ-UHFFFAOYSA-N -1 3 376.547 3.599 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282596604 863251617 /nfs/dbraw/zinc/25/16/17/863251617.db2.gz XONACLWRQNZEPS-GFCCVEGCSA-N -1 3 385.430 3.983 20 0 GHADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000282647500 863268981 /nfs/dbraw/zinc/26/89/81/863268981.db2.gz MALLULSNTUCTJI-GFCCVEGCSA-N -1 3 397.866 3.609 20 0 GHADHM Cc1cccc(O)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000626102301 863300415 /nfs/dbraw/zinc/30/04/15/863300415.db2.gz BSHBJGFQQOWTBT-UHFFFAOYSA-N -1 3 388.851 3.551 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)c(C)c1 ZINC000522830438 863499253 /nfs/dbraw/zinc/49/92/53/863499253.db2.gz PVHKXLONWSHXHW-UHFFFAOYSA-N -1 3 387.461 3.861 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1F ZINC000132739899 881693780 /nfs/dbraw/zinc/69/37/80/881693780.db2.gz MUTGXFPOMHTNQV-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM CCOCCC1(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCC1 ZINC000640294709 881706408 /nfs/dbraw/zinc/70/64/08/881706408.db2.gz HOUSQJSRGOWXET-UHFFFAOYSA-N -1 3 396.841 3.629 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC000621226604 863898422 /nfs/dbraw/zinc/89/84/22/863898422.db2.gz APUBFGDLRBBKKM-UHFFFAOYSA-N -1 3 399.369 3.649 20 0 GHADHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606902748 863926459 /nfs/dbraw/zinc/92/64/59/863926459.db2.gz BTSMGIDFRDJRMY-NSHDSACASA-N -1 3 384.851 3.512 20 0 GHADHM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc([O-])c(F)c3)c12 ZINC000132781093 881715864 /nfs/dbraw/zinc/71/58/64/881715864.db2.gz LPGZCOLSGWZIQO-UHFFFAOYSA-N -1 3 390.418 3.718 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000158889123 863980561 /nfs/dbraw/zinc/98/05/61/863980561.db2.gz TZNLBZMLJVFURB-UHFFFAOYSA-N -1 3 392.786 3.519 20 0 GHADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000607054964 864015885 /nfs/dbraw/zinc/01/58/85/864015885.db2.gz HLRMGLLZPUZIBA-SFHVURJKSA-N -1 3 379.416 3.812 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc21 ZINC000103585839 864023312 /nfs/dbraw/zinc/02/33/12/864023312.db2.gz YFUQBHIYWNOYPL-UHFFFAOYSA-N -1 3 394.475 3.554 20 0 GHADHM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621273816 864042542 /nfs/dbraw/zinc/04/25/42/864042542.db2.gz NMFLENNSFIJFDV-UHFFFAOYSA-N -1 3 396.365 3.520 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120689037 881726475 /nfs/dbraw/zinc/72/64/75/881726475.db2.gz FQKLPZOEUOESBA-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120689037 881726493 /nfs/dbraw/zinc/72/64/93/881726493.db2.gz FQKLPZOEUOESBA-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OCCC ZINC000132812284 881731790 /nfs/dbraw/zinc/73/17/90/881731790.db2.gz KVCOUQWDMKZXQL-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OCCC ZINC000132812284 881731800 /nfs/dbraw/zinc/73/18/00/881731800.db2.gz KVCOUQWDMKZXQL-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000184221150 864247446 /nfs/dbraw/zinc/24/74/46/864247446.db2.gz PMJNSQQJSICICQ-ZHACJKMWSA-N -1 3 385.894 3.546 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2csc(Br)c2)[nH][n-]1 ZINC000621654656 864350911 /nfs/dbraw/zinc/35/09/11/864350911.db2.gz POUQZRABQJSHPA-UHFFFAOYSA-N -1 3 378.251 3.584 20 0 GHADHM C[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)Cc1cccs1 ZINC000640294821 881761800 /nfs/dbraw/zinc/76/18/00/881761800.db2.gz KJDLLUMIZRYAEZ-VIFPVBQESA-N -1 3 380.823 3.583 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cnc(-c2ccncc2)s1 ZINC000607441479 864434084 /nfs/dbraw/zinc/43/40/84/864434084.db2.gz KHUKJUYBOHDKRR-UHFFFAOYSA-N -1 3 379.470 3.900 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@@H](C)c3ccco3)no2)cc1 ZINC000621798770 864441330 /nfs/dbraw/zinc/44/13/30/864441330.db2.gz XFOKYANUMAGBOM-ZDUSSCGKSA-N -1 3 391.449 3.544 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000159272755 864455662 /nfs/dbraw/zinc/45/56/62/864455662.db2.gz YFYINXDYHOXZHO-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000159272755 864455667 /nfs/dbraw/zinc/45/56/67/864455667.db2.gz YFYINXDYHOXZHO-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000607615942 864560864 /nfs/dbraw/zinc/56/08/64/864560864.db2.gz DUBDAMQRGJSBRM-UHFFFAOYSA-N -1 3 377.462 3.826 20 0 GHADHM Cc1ccc(S[C@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c(C)c1 ZINC000898733979 864561706 /nfs/dbraw/zinc/56/17/06/864561706.db2.gz KAZUFJYEXHTKSC-ICSRJNTNSA-N -1 3 395.528 3.765 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@@H]4Cc5ccccc54)n3)n[n-]2)c1 ZINC000671157894 864620585 /nfs/dbraw/zinc/62/05/85/864620585.db2.gz PEUPVMCRCLMJOG-CQSZACIVSA-N -1 3 394.232 3.972 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000621950403 864625019 /nfs/dbraw/zinc/62/50/19/864625019.db2.gz RGIZPYQKXDNLJO-UHFFFAOYSA-N -1 3 381.398 3.940 20 0 GHADHM C[C@H]1CCCN(C(=O)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000444334458 864646108 /nfs/dbraw/zinc/64/61/08/864646108.db2.gz BQXCKTFCYQMTCU-ZDUSSCGKSA-N -1 3 395.484 3.866 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000554632314 864652796 /nfs/dbraw/zinc/65/27/96/864652796.db2.gz LKSDDOCUWYUFKI-FZMZJTMJSA-N -1 3 381.270 3.607 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000622057684 864724892 /nfs/dbraw/zinc/72/48/92/864724892.db2.gz JTMXNBTXDQEUNQ-MRXNPFEDSA-N -1 3 376.378 3.688 20 0 GHADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000063442095 864767214 /nfs/dbraw/zinc/76/72/14/864767214.db2.gz WPTJWRLVILDNGZ-VAKHEIKFSA-N -1 3 390.361 3.589 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(Cl)c1 ZINC000554727725 864780655 /nfs/dbraw/zinc/78/06/55/864780655.db2.gz ZKRYNFPNMIAICR-UHFFFAOYSA-N -1 3 384.860 3.889 20 0 GHADHM COCCOc1ncccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622351599 864947897 /nfs/dbraw/zinc/94/78/97/864947897.db2.gz YTXUJNMTAPQLEG-UHFFFAOYSA-N -1 3 378.428 3.656 20 0 GHADHM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000480623261 864989916 /nfs/dbraw/zinc/98/99/16/864989916.db2.gz OJTKDCAIMITQND-SECBINFHSA-N -1 3 378.325 3.918 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)s1 ZINC000173732059 865002603 /nfs/dbraw/zinc/00/26/03/865002603.db2.gz DCFPTJYPYLIRIK-UHFFFAOYSA-N -1 3 380.470 3.751 20 0 GHADHM CCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031376216 865011731 /nfs/dbraw/zinc/01/17/31/865011731.db2.gz IZEMPEYHAODRSM-UHFFFAOYSA-N -1 3 378.469 3.745 20 0 GHADHM O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622480424 865020336 /nfs/dbraw/zinc/02/03/36/865020336.db2.gz NGMJGKKLZZUPKP-IBGZPJMESA-N -1 3 383.394 3.725 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 ZINC000480690430 865094955 /nfs/dbraw/zinc/09/49/55/865094955.db2.gz RXWRDUJVRBEJQH-AWEZNQCLSA-N -1 3 395.349 3.945 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000736192408 865152403 /nfs/dbraw/zinc/15/24/03/865152403.db2.gz MOIABTNLJSKTCJ-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000736192408 865152409 /nfs/dbraw/zinc/15/24/09/865152409.db2.gz MOIABTNLJSKTCJ-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736244507 865159315 /nfs/dbraw/zinc/15/93/15/865159315.db2.gz JGMWIFFTKRJZJY-SWLSCSKDSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736244507 865159321 /nfs/dbraw/zinc/15/93/21/865159321.db2.gz JGMWIFFTKRJZJY-SWLSCSKDSA-N -1 3 382.493 3.679 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)c1 ZINC000480735838 865166390 /nfs/dbraw/zinc/16/63/90/865166390.db2.gz XGVNQJDQUBUDOZ-UHFFFAOYSA-N -1 3 389.381 3.798 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cccc(-c3cscn3)c2)[nH][n-]1 ZINC000608357955 865255691 /nfs/dbraw/zinc/25/56/91/865255691.db2.gz DWODZHQVWQXHDV-UHFFFAOYSA-N -1 3 376.441 3.883 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cnc(-c2ccncc2)s1 ZINC000608359789 865258730 /nfs/dbraw/zinc/25/87/30/865258730.db2.gz IJRAYWPOERKZNQ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000028966236 865328247 /nfs/dbraw/zinc/32/82/47/865328247.db2.gz AWJQDRYAKOJMLH-UHFFFAOYSA-N -1 3 382.836 3.692 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)c(C)c1 ZINC000171702566 865334689 /nfs/dbraw/zinc/33/46/89/865334689.db2.gz FDTYWIOOJRAJHH-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301548903 865418090 /nfs/dbraw/zinc/41/80/90/865418090.db2.gz XQWOZJKEKIORLE-UHFFFAOYSA-N -1 3 378.885 3.630 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Cn4ccnc4)cc3)nc2)n1 ZINC000301554575 865422529 /nfs/dbraw/zinc/42/25/29/865422529.db2.gz ROXMGKRLSMQDJT-UHFFFAOYSA-N -1 3 386.459 3.664 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738143453 865491811 /nfs/dbraw/zinc/49/18/11/865491811.db2.gz CUZDMKQQJKVGIX-DGCLKSJQSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738143453 865491818 /nfs/dbraw/zinc/49/18/18/865491818.db2.gz CUZDMKQQJKVGIX-DGCLKSJQSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301744939 865520608 /nfs/dbraw/zinc/52/06/08/865520608.db2.gz WUVPWLKRWYOLLI-UHFFFAOYSA-N -1 3 378.885 3.630 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738380415 865534037 /nfs/dbraw/zinc/53/40/37/865534037.db2.gz HLLVZDBWKAEAPP-GXFFZTMASA-N -1 3 381.325 3.508 20 0 GHADHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000738353463 865545253 /nfs/dbraw/zinc/54/52/53/865545253.db2.gz JHXGVUPJNZLWFO-UHFFFAOYSA-N -1 3 389.304 3.834 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000172657208 865668186 /nfs/dbraw/zinc/66/81/86/865668186.db2.gz KKSYKMAAJMQOKY-UHFFFAOYSA-N -1 3 388.464 3.821 20 0 GHADHM [O-]c1ccc(CN2CC[C@H](F)C(F)(F)CC2)cc1I ZINC001232868001 865727664 /nfs/dbraw/zinc/72/76/64/865727664.db2.gz JYXMCFIIJIVOPG-LBPRGKRZSA-N -1 3 385.167 3.566 20 0 GHADHM COCCn1cc(C(=O)[N-]c2cc(C(F)(F)F)c(Cl)cc2SC)nn1 ZINC000622941239 865814108 /nfs/dbraw/zinc/81/41/08/865814108.db2.gz HAFPEGRMCWEPFV-UHFFFAOYSA-N -1 3 394.806 3.571 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000739978669 865817822 /nfs/dbraw/zinc/81/78/22/865817822.db2.gz ZTOWNGNASSTWCD-UHFFFAOYSA-N -1 3 382.295 3.701 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4ccccc4F)C[C@H]3C)nc2)n1 ZINC000302701237 865883648 /nfs/dbraw/zinc/88/36/48/865883648.db2.gz UWQLUMAGOHTGLR-OAHLLOKOSA-N -1 3 393.466 3.661 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc(OC)cn3)nc2)n1 ZINC000897293693 866007893 /nfs/dbraw/zinc/00/78/93/866007893.db2.gz CGFIPRWWFFRBSW-GOSISDBHSA-N -1 3 377.448 3.552 20 0 GHADHM COCC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000555377001 866027012 /nfs/dbraw/zinc/02/70/12/866027012.db2.gz KQWJJLCPFLWGRM-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CC(C)C[C@H](C)C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000185426344 866092940 /nfs/dbraw/zinc/09/29/40/866092940.db2.gz LLWMZNFDZRNUFP-HNNXBMFYSA-N -1 3 375.494 3.613 20 0 GHADHM COc1cccc(Cl)c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000189605389 881939522 /nfs/dbraw/zinc/93/95/22/881939522.db2.gz WODPYGCGWREFHO-UHFFFAOYSA-N -1 3 399.672 3.816 20 0 GHADHM O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(Br)ccc1[O-] ZINC000176192572 866133002 /nfs/dbraw/zinc/13/30/02/866133002.db2.gz IKSXEOWAPAEQLZ-UHFFFAOYSA-N -1 3 388.221 3.776 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)c[nH]c21 ZINC000737408698 866145513 /nfs/dbraw/zinc/14/55/13/866145513.db2.gz KHLXGCMXDWEJSS-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)c[nH]c21 ZINC000737408698 866145517 /nfs/dbraw/zinc/14/55/17/866145517.db2.gz KHLXGCMXDWEJSS-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1nc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)sc1Cc1cccc(C)c1 ZINC000552782908 866258974 /nfs/dbraw/zinc/25/89/74/866258974.db2.gz PHTJQTIMEAKYNF-GFCCVEGCSA-N -1 3 383.395 3.728 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000145613211 881958102 /nfs/dbraw/zinc/95/81/02/881958102.db2.gz ONLZMQOLIHKAFC-UHFFFAOYSA-N -1 3 395.850 3.870 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)ccc1OC(C)C ZINC000614769705 866272208 /nfs/dbraw/zinc/27/22/08/866272208.db2.gz RUTRAPSCOUNPON-UHFFFAOYSA-N -1 3 392.502 3.627 20 0 GHADHM CC(C)CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCCc2cccnc21 ZINC000153413570 866445254 /nfs/dbraw/zinc/44/52/54/866445254.db2.gz FRXFHTPXGZLHLZ-SFHVURJKSA-N -1 3 392.459 3.533 20 0 GHADHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000153454369 866487443 /nfs/dbraw/zinc/48/74/43/866487443.db2.gz YYHULXHEJIYNPJ-CQSZACIVSA-N -1 3 390.842 3.605 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1F ZINC000478701717 866535261 /nfs/dbraw/zinc/53/52/61/866535261.db2.gz PKWYDGJGJAIKJX-UHFFFAOYSA-N -1 3 383.416 3.786 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)[n-]n1 ZINC000183291428 866563853 /nfs/dbraw/zinc/56/38/53/866563853.db2.gz BMFXMRRBNMOXBT-UHFFFAOYSA-N -1 3 383.379 3.653 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)n[n-]1 ZINC000183291428 866563861 /nfs/dbraw/zinc/56/38/61/866563861.db2.gz BMFXMRRBNMOXBT-UHFFFAOYSA-N -1 3 383.379 3.653 20 0 GHADHM CC(C)CC1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000620283300 866637138 /nfs/dbraw/zinc/63/71/38/866637138.db2.gz DPLARSCWDIMSLV-FQEVSTJZSA-N -1 3 380.488 3.948 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC=C(c2ccco2)C1 ZINC000553038720 866677968 /nfs/dbraw/zinc/67/79/68/866677968.db2.gz REIJVJQRHZYXCE-UHFFFAOYSA-N -1 3 399.244 3.813 20 0 GHADHM CCSCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000456505863 866702979 /nfs/dbraw/zinc/70/29/79/866702979.db2.gz VOEIPLKYTLOCTN-SFHVURJKSA-N -1 3 384.501 3.889 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC(C)(C)C3)nc(=O)c2c1C ZINC000112702335 866738309 /nfs/dbraw/zinc/73/83/09/866738309.db2.gz BUOMKMBMVXTIRZ-GFCCVEGCSA-N -1 3 377.510 3.653 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccccc1-c1ccno1 ZINC000499334804 882019903 /nfs/dbraw/zinc/01/99/03/882019903.db2.gz QRBGUENPPQBODZ-UHFFFAOYSA-N -1 3 392.820 3.567 20 0 GHADHM Cc1cc(C)c(CS(=O)(=O)c2cccc([O-])c2)c(OCc2ccccc2)n1 ZINC000553189045 866961919 /nfs/dbraw/zinc/96/19/19/866961919.db2.gz XZUBENICRFXXND-UHFFFAOYSA-N -1 3 383.469 3.957 20 0 GHADHM COc1cc(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)cc(OC)c1[O-] ZINC000456817639 867180028 /nfs/dbraw/zinc/18/00/28/867180028.db2.gz BOECIPWMPCDAGU-UHFFFAOYSA-N -1 3 391.414 3.783 20 0 GHADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2C1 ZINC000479133049 867198055 /nfs/dbraw/zinc/19/80/55/867198055.db2.gz BMKQNFINDAWQIJ-CQSZACIVSA-N -1 3 388.489 3.720 20 0 GHADHM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)cc1 ZINC000742324539 867206480 /nfs/dbraw/zinc/20/64/80/867206480.db2.gz XXVWLKOKEBCZAG-OAHLLOKOSA-N -1 3 382.888 3.735 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000742320735 867226040 /nfs/dbraw/zinc/22/60/40/867226040.db2.gz ZHMINMKLRGBBPO-QCZZGDTMSA-N -1 3 388.320 3.711 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000553428619 867380242 /nfs/dbraw/zinc/38/02/42/867380242.db2.gz RSJCLBGLNQXUGY-QMMMGPOBSA-N -1 3 384.376 3.529 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553429833 867384988 /nfs/dbraw/zinc/38/49/88/867384988.db2.gz VOMXWXZLOVVLQO-CMPLNLGQSA-N -1 3 387.420 3.677 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1nc(CC)cc(=O)[n-]1 ZINC000121335280 882080486 /nfs/dbraw/zinc/08/04/86/882080486.db2.gz RMUZMCBRGUZELM-UHFFFAOYSA-N -1 3 387.871 3.860 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@](C)(CO)C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000523566172 867534443 /nfs/dbraw/zinc/53/44/43/867534443.db2.gz OZXCZNQUMFDBMT-OAQYLSRUSA-N -1 3 384.480 3.610 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cc1 ZINC000479296735 867538608 /nfs/dbraw/zinc/53/86/08/867538608.db2.gz ORJVSUTYGDDMDP-UHFFFAOYSA-N -1 3 396.877 3.846 20 0 GHADHM CC(C)C1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000508514943 867572014 /nfs/dbraw/zinc/57/20/14/867572014.db2.gz WSTJGTSJOPPKQX-UHFFFAOYSA-N -1 3 383.673 3.862 20 0 GHADHM CCO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000444994987 867591154 /nfs/dbraw/zinc/59/11/54/867591154.db2.gz FQWDYBWODOGVQP-OAHLLOKOSA-N -1 3 391.386 3.901 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000154925699 867666021 /nfs/dbraw/zinc/66/60/21/867666021.db2.gz NFDVLVIAZDGBHX-KBPBESRZSA-N -1 3 393.484 3.653 20 0 GHADHM COc1ccc(C(=O)[N-]C(=O)CN[C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183762100 867721645 /nfs/dbraw/zinc/72/16/45/867721645.db2.gz WMIDVPOMMIFWSF-LLVKDONJSA-N -1 3 381.259 3.609 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(CC1)OCCc1ccccc12 ZINC000457129078 867735743 /nfs/dbraw/zinc/73/57/43/867735743.db2.gz FBSGWXQVQQCTDI-UHFFFAOYSA-N -1 3 383.463 3.945 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2c(F)cc(Cl)c(C)c2F)cc1 ZINC000534903663 867735909 /nfs/dbraw/zinc/73/59/09/867735909.db2.gz YFWXQEVOCKYJIA-UHFFFAOYSA-N -1 3 391.823 3.756 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000523695122 867796668 /nfs/dbraw/zinc/79/66/68/867796668.db2.gz UGZQTRVHQXMNKX-LLVKDONJSA-N -1 3 396.299 3.964 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CCN1Cc1ccccc1 ZINC000155408255 867898013 /nfs/dbraw/zinc/89/80/13/867898013.db2.gz LCEGIYKICFKVHZ-CQSZACIVSA-N -1 3 376.859 3.921 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000535044323 867998686 /nfs/dbraw/zinc/99/86/86/867998686.db2.gz WBYLOAAZTVHOIB-MRXNPFEDSA-N -1 3 390.277 3.979 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1 ZINC000793414080 882153799 /nfs/dbraw/zinc/15/37/99/882153799.db2.gz AXBUQIWLIXJNBF-UHFFFAOYSA-N -1 3 381.425 3.510 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000535120903 868206310 /nfs/dbraw/zinc/20/63/10/868206310.db2.gz QUSMQTVWTMRCCM-JTQLQIEISA-N -1 3 377.231 3.606 20 0 GHADHM CSc1nc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)n[n-]1 ZINC000535163941 868270783 /nfs/dbraw/zinc/27/07/83/868270783.db2.gz ZABMXEMSHUOUEY-UHFFFAOYSA-N -1 3 381.177 3.560 20 0 GHADHM COc1cc(-c2nc(-c3ccccc3Br)no2)cc(OC)c1[O-] ZINC000445383458 868360717 /nfs/dbraw/zinc/36/07/17/868360717.db2.gz HZHRWHGUBAKKIR-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000156428883 868364414 /nfs/dbraw/zinc/36/44/14/868364414.db2.gz JJAMUKMWKBEGOM-UHFFFAOYSA-N -1 3 394.811 3.615 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000156654776 868427909 /nfs/dbraw/zinc/42/79/09/868427909.db2.gz GSBOINCRPXOOKU-SNVBAGLBSA-N -1 3 397.244 3.863 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000744216488 868672578 /nfs/dbraw/zinc/67/25/78/868672578.db2.gz IJZCANVBFNYULE-GFCCVEGCSA-N -1 3 385.445 3.931 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(-c4cnn(C)c4)c3)c2)n1 ZINC000744218208 868674463 /nfs/dbraw/zinc/67/44/63/868674463.db2.gz KWYUKZIFHJDGLB-UHFFFAOYSA-N -1 3 386.411 3.777 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)c(C)c1C ZINC000524210440 868712936 /nfs/dbraw/zinc/71/29/36/868712936.db2.gz BXZJYWYKJQDASQ-UHFFFAOYSA-N -1 3 387.461 3.780 20 0 GHADHM Cc1nc(C)c(Cc2nc(C(C)(C)c3ccc(Cl)cc3F)no2)c(=O)[n-]1 ZINC000445593104 868719243 /nfs/dbraw/zinc/71/92/43/868719243.db2.gz OWADARXFJBPQJB-UHFFFAOYSA-N -1 3 376.819 3.891 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432671 882220805 /nfs/dbraw/zinc/22/08/05/882220805.db2.gz DPDFMYNFVWCJDD-NSHDSACASA-N -1 3 396.196 3.970 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432845 882221063 /nfs/dbraw/zinc/22/10/63/882221063.db2.gz JRBLBBQZXLAQDS-CYBMUJFWSA-N -1 3 375.778 3.625 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3Cc4ccccc4C3)nc(=O)c2c1C ZINC000155456995 868763383 /nfs/dbraw/zinc/76/33/83/868763383.db2.gz RYVFQWVOVMRXDN-GFCCVEGCSA-N -1 3 383.473 3.547 20 0 GHADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NCc1ccc([O-])c(F)c1 ZINC000158254042 868910396 /nfs/dbraw/zinc/91/03/96/868910396.db2.gz XOVWWXPYHHQHGD-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(-n2c(=O)[nH]c(CC(F)(F)F)c2[O-])c1 ZINC000445883629 869086276 /nfs/dbraw/zinc/08/62/76/869086276.db2.gz HHBFEJBVOBRFRI-AWEZNQCLSA-N -1 3 392.337 3.708 20 0 GHADHM COC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccsc1 ZINC000539511392 869275612 /nfs/dbraw/zinc/27/56/12/869275612.db2.gz BIVPWVVPSJXSCU-CQSZACIVSA-N -1 3 398.469 3.589 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H]2CCO[C@@H]21 ZINC000524637444 869379771 /nfs/dbraw/zinc/37/97/71/869379771.db2.gz FFSPTIOKJLLCLJ-CFVMTHIKSA-N -1 3 398.937 3.555 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)C2CCCCC2)cc1OC ZINC000446118206 869429932 /nfs/dbraw/zinc/42/99/32/869429932.db2.gz LTAKVAYGTOLOTK-AWEZNQCLSA-N -1 3 397.541 3.889 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000524687548 869449915 /nfs/dbraw/zinc/44/99/15/869449915.db2.gz UHJZTRNABDRUML-UHFFFAOYSA-N -1 3 395.484 3.797 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccn(C)c2)cc1 ZINC000539631276 869497429 /nfs/dbraw/zinc/49/74/29/869497429.db2.gz DLFXCMYUAQCOLP-UHFFFAOYSA-N -1 3 383.473 3.695 20 0 GHADHM O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000857507007 882308357 /nfs/dbraw/zinc/30/83/57/882308357.db2.gz LUYVVSCYBPQJBP-QGZVFWFLSA-N -1 3 392.471 3.514 20 0 GHADHM CCCc1nnc([N-]C(=O)c2csc(Nc3ccc(OC)cc3)n2)s1 ZINC000524853749 869679213 /nfs/dbraw/zinc/67/92/13/869679213.db2.gz HEYHJAMHZNVPNH-UHFFFAOYSA-N -1 3 375.479 3.952 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000446328659 869706247 /nfs/dbraw/zinc/70/62/47/869706247.db2.gz DAYQQEWQAYHZKO-UHFFFAOYSA-N -1 3 393.196 3.868 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccsc3)oc2C)cc1[O-] ZINC000745652569 869722781 /nfs/dbraw/zinc/72/27/81/869722781.db2.gz KXBVFSOMVMCZBR-UHFFFAOYSA-N -1 3 388.401 3.952 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)ccc1F ZINC000190992518 882333905 /nfs/dbraw/zinc/33/39/05/882333905.db2.gz RBXLHWUKHRAVCP-UHFFFAOYSA-N -1 3 375.425 3.779 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000173124636 882351709 /nfs/dbraw/zinc/35/17/09/882351709.db2.gz REIINQMLHHRSAO-MRVPVSSYSA-N -1 3 378.441 3.897 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@@H]1C ZINC000173136586 882352709 /nfs/dbraw/zinc/35/27/09/882352709.db2.gz MEAIWNIVPFQCFP-AWEZNQCLSA-N -1 3 376.453 3.559 20 0 GHADHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000462707170 869938108 /nfs/dbraw/zinc/93/81/08/869938108.db2.gz UMQHYALDGDMYIM-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000446514918 869940951 /nfs/dbraw/zinc/94/09/51/869940951.db2.gz OUFXAGJJGBSLEY-MRXNPFEDSA-N -1 3 390.480 3.745 20 0 GHADHM CCC1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000462736503 869992665 /nfs/dbraw/zinc/99/26/65/869992665.db2.gz NIXLXMBTEZFAFO-UHFFFAOYSA-N -1 3 386.517 3.976 20 0 GHADHM O=C(OCCCN1CCOC1=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746078558 869993938 /nfs/dbraw/zinc/99/39/38/869993938.db2.gz HYMJKYOTGBIBRB-UHFFFAOYSA-N -1 3 375.808 3.712 20 0 GHADHM Cc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000191171184 882373185 /nfs/dbraw/zinc/37/31/85/882373185.db2.gz IPLVRHUVODPGSA-OAHLLOKOSA-N -1 3 391.265 3.786 20 0 GHADHM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)n1C1CCCCC1 ZINC000746233626 870120742 /nfs/dbraw/zinc/12/07/42/870120742.db2.gz XWAUMWHOIMZTQK-UHFFFAOYSA-N -1 3 388.489 3.785 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C(C)C)CC3)nc(=O)c2c1C ZINC000173586296 882382545 /nfs/dbraw/zinc/38/25/45/882382545.db2.gz FYIGVVRUZCDHHQ-CYBMUJFWSA-N -1 3 391.537 3.899 20 0 GHADHM COCC1(C(=O)Nc2cc(Cl)ccc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000793705235 882385399 /nfs/dbraw/zinc/38/53/99/882385399.db2.gz OBSHLURCTUTCBE-UHFFFAOYSA-N -1 3 398.887 3.648 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001192327593 870292505 /nfs/dbraw/zinc/29/25/05/870292505.db2.gz YJPJAUFVUCBLEW-CRAIPNDOSA-N -1 3 399.560 3.883 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000525288990 870294291 /nfs/dbraw/zinc/29/42/91/870294291.db2.gz SLJLZTWNFPJUSO-KRWDZBQOSA-N -1 3 396.413 3.578 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000446753408 870299822 /nfs/dbraw/zinc/29/98/22/870299822.db2.gz LJQRQDJRZFNGDO-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM O=C(Nc1ccc2sccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001192447330 870407675 /nfs/dbraw/zinc/40/76/75/870407675.db2.gz JKYKPSUGONPEQX-UHFFFAOYSA-N -1 3 381.457 3.597 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000462935706 870491657 /nfs/dbraw/zinc/49/16/57/870491657.db2.gz PRAPVALNVXBPMC-QHCPKHFHSA-N -1 3 385.479 3.698 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(C)(C)c1ccc(C)cn1 ZINC001192544196 870504498 /nfs/dbraw/zinc/50/44/98/870504498.db2.gz VOFCPZDLDMPWNC-UHFFFAOYSA-N -1 3 376.453 3.840 20 0 GHADHM Cc1c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)oc2c1c(C)ccc2C ZINC000461614086 870592303 /nfs/dbraw/zinc/59/23/03/870592303.db2.gz NXLVGNRXOPNHOL-UHFFFAOYSA-N -1 3 379.416 3.506 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001192761304 870645339 /nfs/dbraw/zinc/64/53/39/870645339.db2.gz ZKSDIDFPIZLILJ-OAHLLOKOSA-N -1 3 396.365 3.707 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1Cl ZINC000737946446 870708898 /nfs/dbraw/zinc/70/88/98/870708898.db2.gz FDDBHRCONAFWMM-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1Cl ZINC000737946446 870708907 /nfs/dbraw/zinc/70/89/07/870708907.db2.gz FDDBHRCONAFWMM-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(C(F)(F)F)c1)c1cnccc1Cl ZINC001192910025 870764633 /nfs/dbraw/zinc/76/46/33/870764633.db2.gz AQNHAAPBMZALQG-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]CC1CCc2ccccc2CC1)c1cnc(Cl)c(Cl)c1 ZINC001192961079 870787364 /nfs/dbraw/zinc/78/73/64/870787364.db2.gz XYVUMCOMNRVTFL-UHFFFAOYSA-N -1 3 385.316 3.862 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CCCC1)c1cnc(-c2ccccc2)nc1 ZINC001193172866 870907512 /nfs/dbraw/zinc/90/75/12/870907512.db2.gz YRFAYEKKZBFMKJ-UHFFFAOYSA-N -1 3 385.411 3.545 20 0 GHADHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000181419558 870992777 /nfs/dbraw/zinc/99/27/77/870992777.db2.gz AEMGWNUKDIEUDC-GFCCVEGCSA-N -1 3 378.837 3.518 20 0 GHADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000766554269 871069418 /nfs/dbraw/zinc/06/94/18/871069418.db2.gz HVEUQSZXUWBNRV-NSHDSACASA-N -1 3 398.260 3.685 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)c1 ZINC001193427271 871103380 /nfs/dbraw/zinc/10/33/80/871103380.db2.gz ZXWMFEUMQGQCOB-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3)c2)c(F)cc1F ZINC000447154383 871112347 /nfs/dbraw/zinc/11/23/47/871112347.db2.gz IUEYTXNMYNZDKE-AWEZNQCLSA-N -1 3 380.460 3.913 20 0 GHADHM CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC001193721389 871240975 /nfs/dbraw/zinc/24/09/75/871240975.db2.gz MEHGMFARMGXHNN-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC001193721389 871240987 /nfs/dbraw/zinc/24/09/87/871240987.db2.gz MEHGMFARMGXHNN-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM COC(=O)c1cnc2ccc(NC(=O)c3ccc([O-])cc3C(F)(F)F)cc2c1 ZINC001193747014 871288294 /nfs/dbraw/zinc/28/82/94/871288294.db2.gz GTYPUPZWTOQVFE-UHFFFAOYSA-N -1 3 390.317 3.998 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)c1Cl ZINC001193830154 871330575 /nfs/dbraw/zinc/33/05/75/871330575.db2.gz NHABRXRPTSXCSP-IUODEOHRSA-N -1 3 378.321 3.785 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](COCc1ccccc1)c1ccccc1 ZINC000122284607 882501445 /nfs/dbraw/zinc/50/14/45/882501445.db2.gz LGSNDAJHYGLWIE-LJQANCHMSA-N -1 3 386.473 3.528 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001169293404 871377963 /nfs/dbraw/zinc/37/79/63/871377963.db2.gz UAPAFIMGJQGAGP-SFHVURJKSA-N -1 3 394.862 3.552 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCc2c1cccc2OC(F)(F)F ZINC001169365023 871431161 /nfs/dbraw/zinc/43/11/61/871431161.db2.gz REJBOSKMPKXQBB-ZDUSSCGKSA-N -1 3 391.353 3.873 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCc2c1cccc2OC(F)(F)F ZINC001169365023 871431172 /nfs/dbraw/zinc/43/11/72/871431172.db2.gz REJBOSKMPKXQBB-ZDUSSCGKSA-N -1 3 391.353 3.873 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001169574358 871648943 /nfs/dbraw/zinc/64/89/43/871648943.db2.gz UBIJECAEFYPBLD-UHFFFAOYSA-N -1 3 377.448 3.667 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001169574358 871648949 /nfs/dbraw/zinc/64/89/49/871648949.db2.gz UBIJECAEFYPBLD-UHFFFAOYSA-N -1 3 377.448 3.667 20 0 GHADHM COc1cccc([C@@H](C)CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000447569483 871831894 /nfs/dbraw/zinc/83/18/94/871831894.db2.gz PLMSWHQHDIQYMN-HNNXBMFYSA-N -1 3 379.464 3.712 20 0 GHADHM COc1cccc([C@@H](C)CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000447569483 871831915 /nfs/dbraw/zinc/83/19/15/871831915.db2.gz PLMSWHQHDIQYMN-HNNXBMFYSA-N -1 3 379.464 3.712 20 0 GHADHM CC1(C)CO[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC001194692309 871890906 /nfs/dbraw/zinc/89/09/06/871890906.db2.gz WARNISLKLFSBCM-JTQLQIEISA-N -1 3 396.734 3.586 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)c([N-]S(=O)(=O)C2CCC(=O)CC2)c1 ZINC001194808866 871963130 /nfs/dbraw/zinc/96/31/30/871963130.db2.gz CXZIGHOKOITXHP-UHFFFAOYSA-N -1 3 382.482 3.595 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3(CC(C)C)CCCC3)c2)[n-]1 ZINC000447683315 872096753 /nfs/dbraw/zinc/09/67/53/872096753.db2.gz OYWFXIICHSHFPH-UHFFFAOYSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3(CC(C)C)CCCC3)c2)n[n-]1 ZINC000447683315 872096770 /nfs/dbraw/zinc/09/67/70/872096770.db2.gz OYWFXIICHSHFPH-UHFFFAOYSA-N -1 3 398.507 3.871 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC001195004938 872100160 /nfs/dbraw/zinc/10/01/60/872100160.db2.gz ULASAMJLMDXRFW-AWEZNQCLSA-N -1 3 392.496 3.887 20 0 GHADHM CCCCN1CC[C@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271915363 872115412 /nfs/dbraw/zinc/11/54/12/872115412.db2.gz ONVHBOWBVDRTRP-HXUWFJFHSA-N -1 3 378.900 3.691 20 0 GHADHM COc1cc(Br)cc(C)c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195072363 872153052 /nfs/dbraw/zinc/15/30/52/872153052.db2.gz MUZBPOKLNMCUJZ-UHFFFAOYSA-N -1 3 380.380 3.846 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCOC[C@H]3OCc3ccccc3)n[n-]2)o1 ZINC000767012339 872162477 /nfs/dbraw/zinc/16/24/77/872162477.db2.gz XBZDKYULNRRDKA-VQTJNVASSA-N -1 3 382.416 3.509 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCOC[C@H]3OCc3ccccc3)[n-]n2)o1 ZINC000767012339 872162484 /nfs/dbraw/zinc/16/24/84/872162484.db2.gz XBZDKYULNRRDKA-VQTJNVASSA-N -1 3 382.416 3.509 20 0 GHADHM CC[C@](C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000618960376 872175132 /nfs/dbraw/zinc/17/51/32/872175132.db2.gz JMZZKGMHLXUHLQ-OFNKIYASSA-N -1 3 380.488 3.948 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132825 872190652 /nfs/dbraw/zinc/19/06/52/872190652.db2.gz BHTPRFHBTYWGGN-YUTCNCBUSA-N -1 3 380.872 3.556 20 0 GHADHM COC[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC001195271174 872295753 /nfs/dbraw/zinc/29/57/53/872295753.db2.gz SRVAGWGCNBOIRU-CYBMUJFWSA-N -1 3 388.942 3.660 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cscc1Br ZINC000552298040 872417390 /nfs/dbraw/zinc/41/73/90/872417390.db2.gz PIKIWHXYRDONMT-UHFFFAOYSA-N -1 3 384.205 3.853 20 0 GHADHM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447876095 872453033 /nfs/dbraw/zinc/45/30/33/872453033.db2.gz XVMBXNACKCEDMT-GFCCVEGCSA-N -1 3 391.333 3.827 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350215 872559782 /nfs/dbraw/zinc/55/97/82/872559782.db2.gz NICMMCDTMVUXHO-ZWKOTPCHSA-N -1 3 391.427 3.518 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350215 872559786 /nfs/dbraw/zinc/55/97/86/872559786.db2.gz NICMMCDTMVUXHO-ZWKOTPCHSA-N -1 3 391.427 3.518 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000767511028 872582365 /nfs/dbraw/zinc/58/23/65/872582365.db2.gz LUXZNMUBVDVRPF-NSHDSACASA-N -1 3 397.909 3.675 20 0 GHADHM O=S(=O)(Nc1c(F)cc(Cl)cc1Br)c1ccc([O-])cc1 ZINC001195755177 872610628 /nfs/dbraw/zinc/61/06/28/872610628.db2.gz GKZOQAKETVERKY-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM O=S(=O)([N-]C/C=C/Cl)c1csc(-c2ccc(Br)cc2)n1 ZINC001195744542 872645758 /nfs/dbraw/zinc/64/57/58/872645758.db2.gz NTSPPPJVIAWCRB-LZCJLJQNSA-N -1 3 393.715 3.603 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC001272350317 872654207 /nfs/dbraw/zinc/65/42/07/872654207.db2.gz OZOXAUOWEJMIMJ-UHFFFAOYSA-N -1 3 393.371 3.779 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC001272350317 872654213 /nfs/dbraw/zinc/65/42/13/872654213.db2.gz OZOXAUOWEJMIMJ-UHFFFAOYSA-N -1 3 393.371 3.779 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCCCC1 ZINC001195787339 872662104 /nfs/dbraw/zinc/66/21/04/872662104.db2.gz MOFGDPMOLNORKU-UHFFFAOYSA-N -1 3 382.345 3.528 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001195791824 872667194 /nfs/dbraw/zinc/66/71/94/872667194.db2.gz QOXVPPHDJPHSEC-UHFFFAOYSA-N -1 3 383.922 3.991 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)nc1C ZINC000527166652 872768227 /nfs/dbraw/zinc/76/82/27/872768227.db2.gz UAONUDYYGUUHDV-GFCCVEGCSA-N -1 3 384.457 3.978 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncsc1C(F)(F)F ZINC000527167803 872771777 /nfs/dbraw/zinc/77/17/77/872771777.db2.gz DXKAXSKTONFCSF-UHFFFAOYSA-N -1 3 381.173 3.560 20 0 GHADHM CCc1cc(=O)[n-]c(CN2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC001196005825 872804909 /nfs/dbraw/zinc/80/49/09/872804909.db2.gz OIFAHXYDEVIRRE-KRWDZBQOSA-N -1 3 398.507 3.591 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000552554781 872830648 /nfs/dbraw/zinc/83/06/48/872830648.db2.gz VNTYZRYAHUQCIF-UHFFFAOYSA-N -1 3 383.448 3.737 20 0 GHADHM CCc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cnn1C(CC)CC ZINC000478353720 872882661 /nfs/dbraw/zinc/88/26/61/872882661.db2.gz ZWZAPLYOYZLFGU-UHFFFAOYSA-N -1 3 383.452 3.722 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000767855077 872894124 /nfs/dbraw/zinc/89/41/24/872894124.db2.gz RYMZRUUVWTZRKK-HWOXTHGCSA-N -1 3 391.464 3.799 20 0 GHADHM O=c1[n-]c(CN2CCC(O)(c3ccccc3)CC2)nc2c3ccccc3oc21 ZINC000767856732 872895188 /nfs/dbraw/zinc/89/51/88/872895188.db2.gz AXVZCANVUIRJAN-UHFFFAOYSA-N -1 3 375.428 3.565 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cn1 ZINC001196259506 872975005 /nfs/dbraw/zinc/97/50/05/872975005.db2.gz ZHWHUUUDMCDCIJ-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000775708975 873037992 /nfs/dbraw/zinc/03/79/92/873037992.db2.gz OFHBNBXCFKYWBR-LLVKDONJSA-N -1 3 394.300 3.797 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3ccc([O-])c(F)c3)c(C(F)(F)F)c2)CC1 ZINC000768068878 873044083 /nfs/dbraw/zinc/04/40/83/873044083.db2.gz ARVVKIHYIHGSAB-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(C(F)(F)F)nc2C)c(C(=O)OCC)[n-]1 ZINC000191964129 882686257 /nfs/dbraw/zinc/68/62/57/882686257.db2.gz UDMOEQVCPZAEJZ-UHFFFAOYSA-N -1 3 398.385 3.904 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCCC3)C2)c1 ZINC000527363652 873085204 /nfs/dbraw/zinc/08/52/04/873085204.db2.gz KEEXLKXCGROZAE-UHFFFAOYSA-N -1 3 383.448 3.737 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196414351 873099775 /nfs/dbraw/zinc/09/97/75/873099775.db2.gz OHCYUMZYTUWIGI-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(CCO)Cc1cccnc1Cl ZINC000794320064 882693520 /nfs/dbraw/zinc/69/35/20/882693520.db2.gz BBDLQCGDZSHLGI-UHFFFAOYSA-N -1 3 396.874 3.666 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(Cc2ccccc2)c(=O)c1 ZINC001196571830 873184261 /nfs/dbraw/zinc/18/42/61/873184261.db2.gz JNLZMKRJQKESJH-UHFFFAOYSA-N -1 3 399.244 3.617 20 0 GHADHM O=c1nc(CS(=O)(=O)C2CC2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000527500783 873186122 /nfs/dbraw/zinc/18/61/22/873186122.db2.gz ZJHCNKXUDJJXAP-UHFFFAOYSA-N -1 3 380.878 3.795 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c1[O-] ZINC000537643797 882699796 /nfs/dbraw/zinc/69/97/96/882699796.db2.gz GFFYNXHGHVKJFL-UHFFFAOYSA-N -1 3 377.444 3.592 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccn1 ZINC000768325776 873236114 /nfs/dbraw/zinc/23/61/14/873236114.db2.gz UZLVFYUNFHWPRW-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1Br ZINC000448330242 873244677 /nfs/dbraw/zinc/24/46/77/873244677.db2.gz LYSLWJUMLAPIIE-UHFFFAOYSA-N -1 3 384.284 3.567 20 0 GHADHM Cc1nc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)OC(C)(C)C)c2)cc(=O)[n-]1 ZINC001196684305 873284146 /nfs/dbraw/zinc/28/41/46/873284146.db2.gz KZRMUHCVEFOEEH-INIZCTEOSA-N -1 3 398.463 3.815 20 0 GHADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000448368599 873305292 /nfs/dbraw/zinc/30/52/92/873305292.db2.gz WTDVECRSSNCSDY-SFHVURJKSA-N -1 3 393.516 3.586 20 0 GHADHM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1C ZINC001196888766 873430142 /nfs/dbraw/zinc/43/01/42/873430142.db2.gz XSHBYVWIYPKFLE-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000541386912 873491512 /nfs/dbraw/zinc/49/15/12/873491512.db2.gz OTGSXBSKZNUVEN-ZIAGYGMSSA-N -1 3 383.819 3.595 20 0 GHADHM COC(=O)c1ccc([O-])cc1NC(=S)Nc1cccc(Br)c1 ZINC001197008215 873526325 /nfs/dbraw/zinc/52/63/25/873526325.db2.gz BKUDVKZUJAFUDM-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM O=c1cc(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c2ccc([O-])cc2o1 ZINC000858019560 882732991 /nfs/dbraw/zinc/73/29/91/882732991.db2.gz QCLWLNGJRFAJMZ-IBGZPJMESA-N -1 3 392.455 3.814 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[n-]1 ZINC001197191371 873641790 /nfs/dbraw/zinc/64/17/90/873641790.db2.gz NNOKLNSIUHXHQF-UHFFFAOYSA-N -1 3 386.235 3.933 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)c[n-]1 ZINC001197191371 873641794 /nfs/dbraw/zinc/64/17/94/873641794.db2.gz NNOKLNSIUHXHQF-UHFFFAOYSA-N -1 3 386.235 3.933 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=S)Nc1ccc(Cl)cc1)OCC ZINC001197306876 873696646 /nfs/dbraw/zinc/69/66/46/873696646.db2.gz RYUGLYFFHXGJOL-UHFFFAOYSA-N -1 3 396.900 3.586 20 0 GHADHM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134143139 882756233 /nfs/dbraw/zinc/75/62/33/882756233.db2.gz TVEOTJVELHOHBJ-MRXNPFEDSA-N -1 3 392.377 3.849 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2ccc(Cl)c3nsnc32)c1F ZINC001197443300 873789125 /nfs/dbraw/zinc/78/91/25/873789125.db2.gz KSSTWSSSYGHZJY-UHFFFAOYSA-N -1 3 385.779 3.858 20 0 GHADHM COc1cc(CNC(=O)Cc2ccc([O-])c(F)c2)ccc1OCCC(C)C ZINC000448709790 873832483 /nfs/dbraw/zinc/83/24/83/873832483.db2.gz QVPNKLGHXMQTAZ-UHFFFAOYSA-N -1 3 375.440 3.824 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccncc1C(F)(F)F ZINC001197494672 873868343 /nfs/dbraw/zinc/86/83/43/873868343.db2.gz HMNKLUGSVPXCCF-UHFFFAOYSA-N -1 3 385.194 3.771 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@]3(C)Br)c2)n1 ZINC000528029564 873893464 /nfs/dbraw/zinc/89/34/64/873893464.db2.gz JQONWMHMNIBDDY-CXAGYDPISA-N -1 3 376.254 3.524 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769317149 873961993 /nfs/dbraw/zinc/96/19/93/873961993.db2.gz AZXYAARZQMIBMH-YOEHRIQHSA-N -1 3 384.517 3.553 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769317145 873962422 /nfs/dbraw/zinc/96/24/22/873962422.db2.gz AZXYAARZQMIBMH-RHSMWYFYSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cccc(C2([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)COC2)c1 ZINC001197763453 874001690 /nfs/dbraw/zinc/00/16/90/874001690.db2.gz NFPMLQHETIVWEJ-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000532382305 882788861 /nfs/dbraw/zinc/78/88/61/882788861.db2.gz TYGQNIGHWPLZHM-UHFFFAOYSA-N -1 3 392.308 3.953 20 0 GHADHM CCc1cc2c(CSc3nnc(-c4cccnc4)n3C)cc(=O)oc2cc1[O-] ZINC000103981730 874043365 /nfs/dbraw/zinc/04/33/65/874043365.db2.gz OPOYJXMWGUQKLS-UHFFFAOYSA-N -1 3 394.456 3.544 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCC(F)(F)CC2)c1 ZINC001198036836 874192123 /nfs/dbraw/zinc/19/21/23/874192123.db2.gz OOWAFFYSQLAWPI-UHFFFAOYSA-N -1 3 384.423 3.912 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)s1 ZINC000448929002 874218871 /nfs/dbraw/zinc/21/88/71/874218871.db2.gz PIYQNXUJMCOSMP-UHFFFAOYSA-N -1 3 392.481 3.822 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1Cl ZINC000541763618 874231541 /nfs/dbraw/zinc/23/15/41/874231541.db2.gz PZLHWWSXKLXPSY-NSHDSACASA-N -1 3 398.670 3.798 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)s1 ZINC000448937810 874259790 /nfs/dbraw/zinc/25/97/90/874259790.db2.gz NLYMAVXKZBOLHV-UHFFFAOYSA-N -1 3 388.518 3.991 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000769749125 874281236 /nfs/dbraw/zinc/28/12/36/874281236.db2.gz YYDIYMNPQPZPQC-UHFFFAOYSA-N -1 3 388.508 3.959 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(C(F)(F)F)ccc21)c1cccc(Cl)n1 ZINC001198260124 874290335 /nfs/dbraw/zinc/29/03/35/874290335.db2.gz RDTHDSGLMSPXGO-NSHDSACASA-N -1 3 392.786 3.556 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)n1 ZINC001198255767 874315825 /nfs/dbraw/zinc/31/58/25/874315825.db2.gz VSGDEIPVPKNOMY-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM CCc1nc2cc(S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)(F)F)ccc2o1 ZINC000541827077 874347174 /nfs/dbraw/zinc/34/71/74/874347174.db2.gz NZOPTFHTLBUEFR-INIZCTEOSA-N -1 3 384.379 3.972 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cncn1Cc1cccc(Br)c1 ZINC001198348942 874368594 /nfs/dbraw/zinc/36/85/94/874368594.db2.gz QGUHISHFCIXCFM-UHFFFAOYSA-N -1 3 390.212 3.791 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000177766788 882824499 /nfs/dbraw/zinc/82/44/99/882824499.db2.gz KKLFQNQKJYLMKC-QGZVFWFLSA-N -1 3 381.407 3.681 20 0 GHADHM C[C@@H](CCSc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000770008473 874399714 /nfs/dbraw/zinc/39/97/14/874399714.db2.gz YUAIPHRNYUHVDO-ZDUSSCGKSA-N -1 3 397.493 3.925 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CSc4ccccc43)c2)n1 ZINC000118211703 874436276 /nfs/dbraw/zinc/43/62/76/874436276.db2.gz FLLSOYSJAWWXPG-KRWDZBQOSA-N -1 3 377.469 3.827 20 0 GHADHM Cc1cc(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)no1 ZINC000770079455 874441698 /nfs/dbraw/zinc/44/16/98/874441698.db2.gz JTAGSCUPQQQWHC-UHFFFAOYSA-N -1 3 381.413 3.983 20 0 GHADHM CC(CNC(=O)c1cccc2c1[N-]C(=O)C2=O)(c1ccccc1)c1ccccc1 ZINC001152460737 874472718 /nfs/dbraw/zinc/47/27/18/874472718.db2.gz VCRWDILDORMIHO-UHFFFAOYSA-N -1 3 384.435 3.557 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1Cl ZINC001198722999 874581221 /nfs/dbraw/zinc/58/12/21/874581221.db2.gz SGAGPHWXPRRTPQ-UHFFFAOYSA-N -1 3 375.277 3.611 20 0 GHADHM O=C(OCC1CCC(C(F)(F)F)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000770336473 874628176 /nfs/dbraw/zinc/62/81/76/874628176.db2.gz GANLZWHJYOVPHV-ZBCRRDGASA-N -1 3 399.409 3.909 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000464891160 874725473 /nfs/dbraw/zinc/72/54/73/874725473.db2.gz JBAAOAMOLLALMH-SFHVURJKSA-N -1 3 381.407 3.762 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N1CCc2sccc2C1 ZINC000775929405 874781669 /nfs/dbraw/zinc/78/16/69/874781669.db2.gz JYEGDDQJGHMXAY-QGZVFWFLSA-N -1 3 393.892 3.873 20 0 GHADHM Cc1ccccc1[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CCO1 ZINC000528659204 874847633 /nfs/dbraw/zinc/84/76/33/874847633.db2.gz WFTTUTJGYURFQB-QGZVFWFLSA-N -1 3 376.250 3.677 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1OCC ZINC000542171059 875077286 /nfs/dbraw/zinc/07/72/86/875077286.db2.gz RSLYUDCVCJUWRG-UHFFFAOYSA-N -1 3 394.475 3.607 20 0 GHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542315069 875354453 /nfs/dbraw/zinc/35/44/53/875354453.db2.gz CIXWEEOHNMXFLC-NXEZZACHSA-N -1 3 382.320 3.541 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H](O)c1c(Cl)cccc1Cl ZINC000771717377 875412619 /nfs/dbraw/zinc/41/26/19/875412619.db2.gz JNNZFUIATCGJLC-BTDLBPIBSA-N -1 3 391.254 3.687 20 0 GHADHM COc1ccc(NC(=S)Nc2c([O-])cccc2Br)c(OC)c1 ZINC001200974517 875421639 /nfs/dbraw/zinc/42/16/39/875421639.db2.gz KQHXIUYMFRIDCW-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM Cc1ncc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)c(=O)[n-]1 ZINC000542387394 875489178 /nfs/dbraw/zinc/48/91/78/875489178.db2.gz QWPOXCPYCZKPMS-UHFFFAOYSA-N -1 3 389.411 3.746 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1cc(F)ccc1F ZINC001201072292 875510601 /nfs/dbraw/zinc/51/06/01/875510601.db2.gz FMJZGEYUYDAEKA-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201271573 875605841 /nfs/dbraw/zinc/60/58/41/875605841.db2.gz XFFOPINTWGKQGZ-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201363668 875640970 /nfs/dbraw/zinc/64/09/70/875640970.db2.gz PASRSQLIBIUKMQ-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM O=c1[nH]ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1Cl ZINC001201352529 875655563 /nfs/dbraw/zinc/65/55/63/875655563.db2.gz QJPVBJKMLGDYGD-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1cccc(F)c1Br ZINC001201770654 875852520 /nfs/dbraw/zinc/85/25/20/875852520.db2.gz PCEHFVSWRCNVSJ-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM O=S(=O)([N-]Cc1cnc2ccccc2c1)c1cccc(F)c1Br ZINC001201791302 875886781 /nfs/dbraw/zinc/88/67/81/875886781.db2.gz MUFKKYAGAWVNQS-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cccc(F)c1Br ZINC001201791212 875886856 /nfs/dbraw/zinc/88/68/56/875886856.db2.gz JHVIBEFILMIJRQ-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ncccc1OCc1ccccc1 ZINC001201884891 875903943 /nfs/dbraw/zinc/90/39/43/875903943.db2.gz FTVLYDCDTCBAEH-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1 ZINC000172901733 876003047 /nfs/dbraw/zinc/00/30/47/876003047.db2.gz JUEVFESKHSLVAU-UHFFFAOYSA-N -1 3 389.395 3.621 20 0 GHADHM Cn1c(=O)oc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])ccc21 ZINC000303822709 876023072 /nfs/dbraw/zinc/02/30/72/876023072.db2.gz PODRNLAUMVRVEQ-UHFFFAOYSA-N -1 3 390.395 3.668 20 0 GHADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000192703999 882990399 /nfs/dbraw/zinc/99/03/99/882990399.db2.gz FMGUEEATXBJLTJ-UHFFFAOYSA-N -1 3 387.848 3.825 20 0 GHADHM C[C@H](CN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](C)CO)c1ccccc1 ZINC000529391108 876066097 /nfs/dbraw/zinc/06/60/97/876066097.db2.gz DYSLQULBUNTCAL-KGLIPLIRSA-N -1 3 392.293 3.781 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000785532071 876089309 /nfs/dbraw/zinc/08/93/09/876089309.db2.gz KBGLOYBXAIUWCW-SNVBAGLBSA-N -1 3 378.803 3.836 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000030575680 876336661 /nfs/dbraw/zinc/33/66/61/876336661.db2.gz UOTIEGVMQZZETM-UHFFFAOYSA-N -1 3 388.254 3.935 20 0 GHADHM CCCn1c(=O)c2c3c(sc2nc1Sc1cc(Cl)nc(=O)[n-]1)CCC3 ZINC000858319693 883021683 /nfs/dbraw/zinc/02/16/83/883021683.db2.gz FCXURZBSRYYPHN-UHFFFAOYSA-N -1 3 394.909 3.657 20 0 GHADHM CCn1c(=O)c2c3c(sc2nc1Sc1cc(Cl)nc(=O)[n-]1)CCCC3 ZINC000858319440 883022406 /nfs/dbraw/zinc/02/24/06/883022406.db2.gz KIVNFRAYBROOCO-UHFFFAOYSA-N -1 3 394.909 3.657 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc4occc4[n-]3)n2)cc1 ZINC000786031484 876418000 /nfs/dbraw/zinc/41/80/00/876418000.db2.gz RIZWRHCHPGFXPQ-UHFFFAOYSA-N -1 3 381.413 3.988 20 0 GHADHM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000786097140 876442001 /nfs/dbraw/zinc/44/20/01/876442001.db2.gz BGDWZSAXODGRPE-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM CC(C)n1nnnc1-c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000529652890 876458516 /nfs/dbraw/zinc/45/85/16/876458516.db2.gz YXDKJRNIEYFBIQ-UHFFFAOYSA-N -1 3 383.427 3.727 20 0 GHADHM O=C(NC1CC1)[C@H](OC(=O)c1cc2sccc2c([O-])c1)c1ccc(F)cc1 ZINC000786139958 876470635 /nfs/dbraw/zinc/47/06/35/876470635.db2.gz LNZKKIRSBNNMHJ-GOSISDBHSA-N -1 3 385.416 3.923 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)Nc1ccnn1C1CCCC1 ZINC000786132337 876500001 /nfs/dbraw/zinc/50/00/01/876500001.db2.gz UEOMVVQTNDZSMD-UHFFFAOYSA-N -1 3 385.445 3.714 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncccc3C(F)(F)F)c2)n1 ZINC000179924672 883039725 /nfs/dbraw/zinc/03/97/25/883039725.db2.gz SDRONXQNRBHSLK-UHFFFAOYSA-N -1 3 388.349 3.665 20 0 GHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613738 883038291 /nfs/dbraw/zinc/03/82/91/883038291.db2.gz USDFQONMYAZAFK-GFCCVEGCSA-N -1 3 377.379 3.565 20 0 GHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613738 883038305 /nfs/dbraw/zinc/03/83/05/883038305.db2.gz USDFQONMYAZAFK-GFCCVEGCSA-N -1 3 377.379 3.565 20 0 GHADHM CC(C)[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1 ZINC000529802438 876685940 /nfs/dbraw/zinc/68/59/40/876685940.db2.gz KXKGRDFUTPFLOZ-JOCHJYFZSA-N -1 3 389.499 3.511 20 0 GHADHM CCCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000850204344 876724590 /nfs/dbraw/zinc/72/45/90/876724590.db2.gz OJZRALMJNZMHLF-UHFFFAOYSA-N -1 3 378.494 3.776 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000786832239 876950756 /nfs/dbraw/zinc/95/07/56/876950756.db2.gz RQZDVYYUBSFCTF-CQSZACIVSA-N -1 3 386.423 3.688 20 0 GHADHM Cc1ccc([C@@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)C2CC2)cc1 ZINC000850576163 877043830 /nfs/dbraw/zinc/04/38/30/877043830.db2.gz HUFDGLNTFXHWSV-HXUWFJFHSA-N -1 3 398.507 3.756 20 0 GHADHM CCc1ccc([C@@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)cc1 ZINC000850576713 877045886 /nfs/dbraw/zinc/04/58/86/877045886.db2.gz QDBXZDYHHSJGHZ-CQSZACIVSA-N -1 3 386.496 3.620 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530144828 877161392 /nfs/dbraw/zinc/16/13/92/877161392.db2.gz LAUBRMOQEFRYOP-UHFFFAOYSA-N -1 3 399.871 3.794 20 0 GHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000450997895 877175969 /nfs/dbraw/zinc/17/59/69/877175969.db2.gz ABMAEXDPXYXNCK-UHFFFAOYSA-N -1 3 392.546 3.987 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1)c1ccccc1 ZINC000451021331 877200109 /nfs/dbraw/zinc/20/01/09/877200109.db2.gz PGGWGWXBXFWQRY-LJQANCHMSA-N -1 3 379.453 3.886 20 0 GHADHM C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787153336 877200510 /nfs/dbraw/zinc/20/05/10/877200510.db2.gz MSDLLILGYHXLJH-ZYHUDNBSSA-N -1 3 399.285 3.739 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NCC(F)(F)F)c3)ccc2O1 ZINC000451086266 877343870 /nfs/dbraw/zinc/34/38/70/877343870.db2.gz FWJUNTJYJXXOFQ-NSHDSACASA-N -1 3 386.395 3.785 20 0 GHADHM Cc1ccccc1Cc1noc(COC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000787841856 877660691 /nfs/dbraw/zinc/66/06/91/877660691.db2.gz BFEVZWJCJMPAIH-UHFFFAOYSA-N -1 3 384.407 3.880 20 0 GHADHM CCc1ccc(CN(C)C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787845600 877663575 /nfs/dbraw/zinc/66/35/75/877663575.db2.gz PWVLSCFCEWVKHT-UHFFFAOYSA-N -1 3 387.451 3.618 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c1 ZINC000788205313 877913120 /nfs/dbraw/zinc/91/31/20/877913120.db2.gz QQWDXUBSJPVTHQ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1cccc(F)c1 ZINC000788277805 877989936 /nfs/dbraw/zinc/98/99/36/877989936.db2.gz LTAPRGSUDXHJGQ-SFHVURJKSA-N -1 3 381.432 3.999 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)cc1Cl ZINC000788480188 878091118 /nfs/dbraw/zinc/09/11/18/878091118.db2.gz GFUAPFOOFUQXIL-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1Cl ZINC000788494510 878104294 /nfs/dbraw/zinc/10/42/94/878104294.db2.gz ZSKVDXULLILBOG-UHFFFAOYSA-N -1 3 377.853 3.848 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C2CC2)c1 ZINC000451587149 878210188 /nfs/dbraw/zinc/21/01/88/878210188.db2.gz LFQDRXXYJCZCIW-LBPRGKRZSA-N -1 3 377.437 3.529 20 0 GHADHM Cc1ccc(NC(=O)/C=C\c2ccc[nH]2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000788635496 878227809 /nfs/dbraw/zinc/22/78/09/878227809.db2.gz PUJKMCXGHUVLMW-KHPPLWFESA-N -1 3 399.447 3.915 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC23CCCCC3)C1)C(F)(F)F ZINC000852428989 878317681 /nfs/dbraw/zinc/31/76/81/878317681.db2.gz XKSAXHHVBGIFOX-LSDHHAIUSA-N -1 3 389.462 3.590 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Cl)cc1F ZINC000616021529 878396640 /nfs/dbraw/zinc/39/66/40/878396640.db2.gz KONIMXZAQJYJPJ-GOSISDBHSA-N -1 3 397.855 3.680 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCc3c1cccc3C(F)(F)F)c2=O ZINC001183166593 912349268 /nfs/dbraw/zinc/34/92/68/912349268.db2.gz RONKWJKEULAVPC-UHFFFAOYSA-N -1 3 388.345 3.758 20 0 GHADHM COc1ccc(OCCCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000530777768 878477040 /nfs/dbraw/zinc/47/70/40/878477040.db2.gz SLJUJGWZESGUIL-UHFFFAOYSA-N -1 3 380.238 3.961 20 0 GHADHM O=C(OCc1ncc(Br)s1)c1cccc(Br)c1[O-] ZINC000788937786 878484627 /nfs/dbraw/zinc/48/46/27/878484627.db2.gz GXXLORKIZNXQAY-UHFFFAOYSA-N -1 3 393.056 3.731 20 0 GHADHM COc1ccc2c(c1)C(C)(C)C[C@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000788986782 878495471 /nfs/dbraw/zinc/49/54/71/878495471.db2.gz ZGBZVGMOAYBXFX-GOSISDBHSA-N -1 3 390.505 3.910 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2CCCCCC2)cc1Cl ZINC000451817961 878524262 /nfs/dbraw/zinc/52/42/62/878524262.db2.gz VBJAMFXLHSZPMH-UHFFFAOYSA-N -1 3 376.881 3.686 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000789044384 878569010 /nfs/dbraw/zinc/56/90/10/878569010.db2.gz ALQVPVCGGQPXCK-CQSZACIVSA-N -1 3 389.473 3.530 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(C)o1 ZINC000530857217 878626056 /nfs/dbraw/zinc/62/60/56/878626056.db2.gz MAQWUZVISUVAAV-FQEVSTJZSA-N -1 3 383.469 3.825 20 0 GHADHM O=C1C(=Cc2ccc(Br)cc2[O-])NC(=S)N1C1CCCCC1 ZINC000853003530 878747468 /nfs/dbraw/zinc/74/74/68/878747468.db2.gz NGWJOKURQOYLJA-MDWZMJQESA-N -1 3 381.295 3.545 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H]1CC=C(C(=O)[O-])C1 ZINC000853034752 878762401 /nfs/dbraw/zinc/76/24/01/878762401.db2.gz FSRYXVULZHJCOH-HNNXBMFYSA-N -1 3 380.275 3.810 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000530931835 878798169 /nfs/dbraw/zinc/79/81/69/878798169.db2.gz JZSSUBSYDDTVCR-SECBINFHSA-N -1 3 392.278 3.547 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000538119513 878841299 /nfs/dbraw/zinc/84/12/99/878841299.db2.gz MRUJETHMJBXVAQ-GDBMZVCRSA-N -1 3 390.263 3.941 20 0 GHADHM COC(=O)c1cc(-c2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)c[nH]1 ZINC000177836073 878879806 /nfs/dbraw/zinc/87/98/06/878879806.db2.gz YMBIZTZGJXBYDB-UHFFFAOYSA-N -1 3 399.325 3.734 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000452153178 879003481 /nfs/dbraw/zinc/00/34/81/879003481.db2.gz SIVMHNVFECGNRG-SECBINFHSA-N -1 3 396.260 3.511 20 0 GHADHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000746829362 879084580 /nfs/dbraw/zinc/08/45/80/879084580.db2.gz SJCXZPDWVZEYGP-SNVBAGLBSA-N -1 3 387.274 3.596 20 0 GHADHM COc1cccc(OC)c1OCc1nc(=O)c2c3c(sc2[n-]1)CCCCC3 ZINC000178715148 879194764 /nfs/dbraw/zinc/19/47/64/879194764.db2.gz KQNSUJFHJKHUQY-UHFFFAOYSA-N -1 3 386.473 3.850 20 0 GHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645737714 879205953 /nfs/dbraw/zinc/20/59/53/879205953.db2.gz MRDHIILOYCCTKC-UHFFFAOYSA-N -1 3 381.750 3.952 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc1 ZINC000774618171 912432210 /nfs/dbraw/zinc/43/22/10/912432210.db2.gz HTNIXMCEYKKQKV-UHFFFAOYSA-N -1 3 384.457 3.608 20 0 GHADHM CCc1cccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1[O-] ZINC000531193637 879289874 /nfs/dbraw/zinc/28/98/74/879289874.db2.gz KGTRNALHFMYUIK-UHFFFAOYSA-N -1 3 381.501 3.522 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c(Cl)n1 ZINC000790006741 879389213 /nfs/dbraw/zinc/38/92/13/879389213.db2.gz IOCFGJWHPRXDPU-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)ccc1F ZINC000461338622 879635104 /nfs/dbraw/zinc/63/51/04/879635104.db2.gz GPEMYAGWCGLLLB-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM CC(C)=CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000452542647 879656862 /nfs/dbraw/zinc/65/68/62/879656862.db2.gz BUSTYEGIPOFZHW-CQSZACIVSA-N -1 3 393.484 3.819 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000538534890 879671837 /nfs/dbraw/zinc/67/18/37/879671837.db2.gz LURMTMOYBUEDSN-STQMWFEESA-N -1 3 383.407 3.717 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538538672 879679789 /nfs/dbraw/zinc/67/97/89/879679789.db2.gz AIBJKANEIBAIKU-GJZGRUSLSA-N -1 3 388.411 3.925 20 0 GHADHM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000461430568 879797625 /nfs/dbraw/zinc/79/76/25/879797625.db2.gz LVEAZUQFEKAQMV-UHFFFAOYSA-N -1 3 385.493 3.710 20 0 GHADHM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581234 879923187 /nfs/dbraw/zinc/92/31/87/879923187.db2.gz CTGRMMRFPDEISZ-UHFFFAOYSA-N -1 3 376.457 3.538 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000452755294 880019289 /nfs/dbraw/zinc/01/92/89/880019289.db2.gz NBDFUQUTVGSYKO-SNVBAGLBSA-N -1 3 395.219 3.676 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cnc(Br)c(Cl)c1 ZINC000790893003 880053686 /nfs/dbraw/zinc/05/36/86/880053686.db2.gz DLNAZYHSTDLSML-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM COc1ccc(-c2nnc(CO[N-]C(=O)Cc3cccc4ccccc43)o2)cc1 ZINC000112677095 880069725 /nfs/dbraw/zinc/06/97/25/880069725.db2.gz LXVYXZYVFSQGHM-UHFFFAOYSA-N -1 3 389.411 3.689 20 0 GHADHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000130261656 880081626 /nfs/dbraw/zinc/08/16/26/880081626.db2.gz WAANEQSBUJVNHB-CYBMUJFWSA-N -1 3 375.787 3.622 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000855147080 880298032 /nfs/dbraw/zinc/29/80/32/880298032.db2.gz ALPFEIBKNGGHDJ-KRWDZBQOSA-N -1 3 388.508 3.892 20 0 GHADHM CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000855164484 880317335 /nfs/dbraw/zinc/31/73/35/880317335.db2.gz KFLWVBFEJSQARS-KRWDZBQOSA-N -1 3 388.508 3.892 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000531703102 880331049 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GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000094091760 912612725 /nfs/dbraw/zinc/61/27/25/912612725.db2.gz QRMHAKLZJOOQCS-UHFFFAOYSA-N -1 3 394.402 3.540 20 0 GHADHM O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792124017 880955379 /nfs/dbraw/zinc/95/53/79/880955379.db2.gz WEOVQPICLAYYRM-UHFFFAOYSA-N -1 3 390.439 3.892 20 0 GHADHM COCC[S@@](=O)Cc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792182740 880969717 /nfs/dbraw/zinc/96/97/17/880969717.db2.gz BXHNWKKPCXVGBM-HHHXNRCGSA-N -1 3 383.469 3.693 20 0 GHADHM CO[C@H](C)c1nc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cs1 ZINC000186838065 881001213 /nfs/dbraw/zinc/00/12/13/881001213.db2.gz HXYTTYDFOFVDAK-GFCCVEGCSA-N -1 3 377.491 3.523 20 0 GHADHM CO[C@H](C)c1nc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cs1 ZINC000186838065 881001227 /nfs/dbraw/zinc/00/12/27/881001227.db2.gz HXYTTYDFOFVDAK-GFCCVEGCSA-N -1 3 377.491 3.523 20 0 GHADHM CC(C)C[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170566 881007360 /nfs/dbraw/zinc/00/73/60/881007360.db2.gz IWDVZOUYEUGNNF-DJIMGWMZSA-N -1 3 384.442 3.732 20 0 GHADHM CC(C)C[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170568 881008066 /nfs/dbraw/zinc/00/80/66/881008066.db2.gz IWDVZOUYEUGNNF-USXIJHARSA-N -1 3 384.442 3.732 20 0 GHADHM CC[C@H](C)[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170425 881008486 /nfs/dbraw/zinc/00/84/86/881008486.db2.gz CUOMGYOGEOLOPJ-XOSAIJSUSA-N -1 3 384.442 3.732 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000187070649 881064056 /nfs/dbraw/zinc/06/40/56/881064056.db2.gz JNXGLMPUOFHAJB-UHFFFAOYSA-N -1 3 375.368 3.587 20 0 GHADHM CCCCNC(=O)[C@@H]1CC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275211181 912640032 /nfs/dbraw/zinc/64/00/32/912640032.db2.gz ZSNLQGXKEUUJKQ-HNNXBMFYSA-N -1 3 395.341 3.673 20 0 GHADHM CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc([O-])c1Br ZINC001275209301 912649274 /nfs/dbraw/zinc/64/92/74/912649274.db2.gz KNSGAZGEOWZVIJ-HZPDHXFCSA-N -1 3 393.325 3.686 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCCCC1 ZINC000919928122 881171908 /nfs/dbraw/zinc/17/19/08/881171908.db2.gz FKPOSOPBLUPCPP-UHFFFAOYSA-N -1 3 399.919 3.701 20 0 GHADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000187424323 881189888 /nfs/dbraw/zinc/18/98/88/881189888.db2.gz VMTDAKQDWBEQNL-AUUYWEPGSA-N -1 3 390.480 3.887 20 0 GHADHM CCCCc1nc(NC(=O)C=Cc2ccnc(Cl)c2)c(C(=O)OCC)[n-]1 ZINC000792556407 881191466 /nfs/dbraw/zinc/19/14/66/881191466.db2.gz USLVYPHITMVMOI-BQYQJAHWSA-N -1 3 376.844 3.629 20 0 GHADHM COc1cc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc2c1OCCO2 ZINC000551055222 883193674 /nfs/dbraw/zinc/19/36/74/883193674.db2.gz JRQAKHZHTTVZTG-HSZRJFAPSA-N -1 3 397.471 3.608 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286319462 912690983 /nfs/dbraw/zinc/69/09/83/912690983.db2.gz PXNBUIHNRNYXNF-SUMWQHHRSA-N -1 3 395.377 3.817 20 0 GHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000609588058 883384900 /nfs/dbraw/zinc/38/49/00/883384900.db2.gz JWJBRDRFTHDOQU-UHFFFAOYSA-N -1 3 389.473 3.524 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cccc(Br)c1Cl ZINC000551209627 883487881 /nfs/dbraw/zinc/48/78/81/883487881.db2.gz VDJDMWHHPSMMPJ-SECBINFHSA-N -1 3 384.748 3.667 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCOCC2)c(F)c1F ZINC000858988051 883522765 /nfs/dbraw/zinc/52/27/65/883522765.db2.gz XKFOSGDUPQPYNS-LJQANCHMSA-N -1 3 381.444 3.719 20 0 GHADHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2nnc(-c3ccco3)s2)n1 ZINC000666971221 883541916 /nfs/dbraw/zinc/54/19/16/883541916.db2.gz RSGPESXGLHEDRK-UHFFFAOYSA-N -1 3 396.270 3.764 20 0 GHADHM O=S(=O)([N-]Cc1ccoc1)c1ccc(Br)cc1C(F)(F)F ZINC000193874502 883551145 /nfs/dbraw/zinc/55/11/45/883551145.db2.gz ABYQYGMUWJJMHC-UHFFFAOYSA-N -1 3 384.173 3.539 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nccn3CC)nc(=O)c2c1C ZINC000012646426 883571290 /nfs/dbraw/zinc/57/12/90/883571290.db2.gz DAUZEIVLTLXGCW-SNVBAGLBSA-N -1 3 392.506 3.539 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)c(C(F)(F)F)cc1F)c1cccnc1Cl ZINC000805123617 883608201 /nfs/dbraw/zinc/60/82/01/883608201.db2.gz VQJCVRNZGSGIDB-UHFFFAOYSA-N -1 3 386.729 3.511 20 0 GHADHM CC[C@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC ZINC001130153031 883755890 /nfs/dbraw/zinc/75/58/90/883755890.db2.gz UEFZKKGMDOOUQN-GXFFZTMASA-N -1 3 392.240 3.635 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@]3(CO)C[C@@H](C)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000477156615 883818678 /nfs/dbraw/zinc/81/86/78/883818678.db2.gz MVQLWBXYBYYCPH-RCDICMHDSA-N -1 3 398.507 3.856 20 0 GHADHM CC(C)CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCC1 ZINC000914511335 883932474 /nfs/dbraw/zinc/93/24/74/883932474.db2.gz DTLAFQKBSALMSZ-UHFFFAOYSA-N -1 3 396.528 3.697 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000760472482 884134751 /nfs/dbraw/zinc/13/47/51/884134751.db2.gz QPXOVSRBCCZJFL-LLVKDONJSA-N -1 3 390.814 3.876 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Br)s3)cc2)n1 ZINC000064343143 884229020 /nfs/dbraw/zinc/22/90/20/884229020.db2.gz VOBXKBPZXJFVNW-UHFFFAOYSA-N -1 3 390.262 3.822 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F ZINC000130162486 884254597 /nfs/dbraw/zinc/25/45/97/884254597.db2.gz BBMVBHCYTYSANN-UHFFFAOYSA-N -1 3 390.358 3.858 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000914599671 884306923 /nfs/dbraw/zinc/30/69/23/884306923.db2.gz LGFSSMWZZRUUOM-UHFFFAOYSA-N -1 3 384.860 3.808 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263170927 884359410 /nfs/dbraw/zinc/35/94/10/884359410.db2.gz RZACITOKSVTKDM-KSZLIROESA-N -1 3 382.504 3.982 20 0 GHADHM CCCOc1cc(OC)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000476326607 884398323 /nfs/dbraw/zinc/39/83/23/884398323.db2.gz LCBSKKOYBSQSAF-UHFFFAOYSA-N -1 3 394.265 3.882 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c(C)c1C ZINC000036833318 884447977 /nfs/dbraw/zinc/44/79/77/884447977.db2.gz RLUYJHDFNNHCRH-UHFFFAOYSA-N -1 3 384.505 3.825 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(F)cc1C ZINC000556318826 884467597 /nfs/dbraw/zinc/46/75/97/884467597.db2.gz BHXKGLVQAHNSOZ-UHFFFAOYSA-N -1 3 388.420 3.660 20 0 GHADHM CC(C)[C@H]1C[C@@](NCc2cnn(CC(F)(F)F)c2)(C(=O)[O-])c2ccccc21 ZINC000556331750 884494285 /nfs/dbraw/zinc/49/42/85/884494285.db2.gz KIFUVBVWEQFOGC-QAPCUYQASA-N -1 3 381.398 3.658 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263327125 884667611 /nfs/dbraw/zinc/66/76/11/884667611.db2.gz KUABNJVZZDYKGB-NTZNESFSSA-N -1 3 383.370 3.859 20 0 GHADHM C[C@@H](CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccc(F)c(Br)c1 ZINC000898221724 884676235 /nfs/dbraw/zinc/67/62/35/884676235.db2.gz OEEIKVWRNUFLEJ-JQWIXIFHSA-N -1 3 396.260 3.527 20 0 GHADHM O=C(c1c(F)ccc(SCC2CC2)c1F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222639 884677468 /nfs/dbraw/zinc/67/74/68/884677468.db2.gz VOPPFSYCIDXEBJ-LLVKDONJSA-N -1 3 379.432 3.525 20 0 GHADHM COC(=O)Cc1ccc(Oc2ccnc(-c3nc4ccsc4c(=O)[n-]3)c2)cc1 ZINC000130480284 884680918 /nfs/dbraw/zinc/68/09/18/884680918.db2.gz XPFKGDJABIBMRK-UHFFFAOYSA-N -1 3 393.424 3.554 20 0 GHADHM COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000860474821 884716059 /nfs/dbraw/zinc/71/60/59/884716059.db2.gz QGIUQDCGKJOBNF-QGZVFWFLSA-N -1 3 390.411 3.744 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)[n-]n1 ZINC001183861527 912858310 /nfs/dbraw/zinc/85/83/10/912858310.db2.gz HGWOARVSHLPYTB-LBPRGKRZSA-N -1 3 394.353 3.742 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)n[n-]1 ZINC001183861527 912858333 /nfs/dbraw/zinc/85/83/33/912858333.db2.gz HGWOARVSHLPYTB-LBPRGKRZSA-N -1 3 394.353 3.742 20 0 GHADHM CCC[C@@H](C)c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000761847465 884801532 /nfs/dbraw/zinc/80/15/32/884801532.db2.gz VICCFLYEVLHZEF-SNVBAGLBSA-N -1 3 392.308 3.801 20 0 GHADHM CCOC(=O)c1csc(/C=C/c2ccc(OC)c([O-])c2Br)n1 ZINC000806563127 884815870 /nfs/dbraw/zinc/81/58/70/884815870.db2.gz RURCFFWLEVWWKI-FNORWQNLSA-N -1 3 384.251 3.967 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)OC(C)(C)C)c2)cc1 ZINC000475836415 884843266 /nfs/dbraw/zinc/84/32/66/884843266.db2.gz STAANEAWNCHHSO-UHFFFAOYSA-N -1 3 391.489 3.770 20 0 GHADHM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1c[n-]c2ccccc2c1=O ZINC000106061085 884980156 /nfs/dbraw/zinc/98/01/56/884980156.db2.gz VQWTUYBDMGFLAK-UHFFFAOYSA-N -1 3 396.874 3.660 20 0 GHADHM O=C([O-])C1CCC(Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CC1 ZINC000263507600 885033554 /nfs/dbraw/zinc/03/35/54/885033554.db2.gz XQNQRYFACJBVQC-UHFFFAOYSA-N -1 3 387.524 3.947 20 0 GHADHM CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914889557 885113583 /nfs/dbraw/zinc/11/35/83/885113583.db2.gz IXPIBQLYXKUTDL-UHFFFAOYSA-N -1 3 399.472 3.507 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)cc2)n1 ZINC000106633515 885114084 /nfs/dbraw/zinc/11/40/84/885114084.db2.gz ZKWSCUJUMHRECU-UHFFFAOYSA-N -1 3 392.434 3.737 20 0 GHADHM COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1F ZINC000914890928 885115244 /nfs/dbraw/zinc/11/52/44/885115244.db2.gz DPDYWTIFIXSLKB-NSHDSACASA-N -1 3 390.436 3.581 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCC[C@H]3Cc3ccccc3)nc21 ZINC001127331583 885214119 /nfs/dbraw/zinc/21/41/19/885214119.db2.gz QZCUUPHPXDQJOR-HOTGVXAUSA-N -1 3 377.444 3.947 20 0 GHADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795850717 912910668 /nfs/dbraw/zinc/91/06/68/912910668.db2.gz AKMQRLAQFCBKIB-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCCCc3nc(-c4ccccc4)no3)n[n-]2)o1 ZINC000919324933 885333064 /nfs/dbraw/zinc/33/30/64/885333064.db2.gz KASXAXGQIQYOQS-UHFFFAOYSA-N -1 3 378.388 3.818 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCCCc3nc(-c4ccccc4)no3)[n-]n2)o1 ZINC000919324933 885333085 /nfs/dbraw/zinc/33/30/85/885333085.db2.gz KASXAXGQIQYOQS-UHFFFAOYSA-N -1 3 378.388 3.818 20 0 GHADHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919327422 885340524 /nfs/dbraw/zinc/34/05/24/885340524.db2.gz YSYKTWJRYHUFCR-LBPRGKRZSA-N -1 3 385.445 3.884 20 0 GHADHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919327422 885340545 /nfs/dbraw/zinc/34/05/45/885340545.db2.gz YSYKTWJRYHUFCR-LBPRGKRZSA-N -1 3 385.445 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C4CCC4)cnn3C)c2)n1 ZINC000666588159 885376082 /nfs/dbraw/zinc/37/60/82/885376082.db2.gz VGOSMVHAXAFTBX-UHFFFAOYSA-N -1 3 377.448 3.665 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000747406980 885552482 /nfs/dbraw/zinc/55/24/82/885552482.db2.gz CQALEECPVKBUBM-HUUCEWRRSA-N -1 3 378.469 3.549 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118338203 885627523 /nfs/dbraw/zinc/62/75/23/885627523.db2.gz HLTGSQADGGSSMZ-UHFFFAOYSA-N -1 3 385.423 3.779 20 0 GHADHM CC(C)c1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1C ZINC000171023130 885687402 /nfs/dbraw/zinc/68/74/02/885687402.db2.gz POJONNIAEFOXQT-UHFFFAOYSA-N -1 3 387.490 3.789 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000151601550 885702544 /nfs/dbraw/zinc/70/25/44/885702544.db2.gz PACLWKDJUBEUTQ-VIFPVBQESA-N -1 3 392.308 3.855 20 0 GHADHM O=C(Cc1cccc(OC(F)F)c1)NCc1ccc([O-])c(Br)c1 ZINC000151601791 885702631 /nfs/dbraw/zinc/70/26/31/885702631.db2.gz FJYREFPMXGGHHG-UHFFFAOYSA-N -1 3 386.192 3.615 20 0 GHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000108638682 885778662 /nfs/dbraw/zinc/77/86/62/885778662.db2.gz UYIQKUUKIQPKQL-UHFFFAOYSA-N -1 3 397.500 3.791 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(OC)c2)cc1C ZINC000808125897 886000309 /nfs/dbraw/zinc/00/03/09/886000309.db2.gz DKLYIRGRTMKRBV-UHFFFAOYSA-N -1 3 377.249 3.515 20 0 GHADHM CC(C)c1nc(C2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)no1 ZINC000556777104 886116787 /nfs/dbraw/zinc/11/67/87/886116787.db2.gz CLSMWKSWHRIYRS-UHFFFAOYSA-N -1 3 379.464 3.735 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000808340771 886245188 /nfs/dbraw/zinc/24/51/88/886245188.db2.gz SBRHUTLGHVDJGL-MEBBXXQBSA-N -1 3 393.814 3.759 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2Br)c1[O-] ZINC000556893103 886484162 /nfs/dbraw/zinc/48/41/62/886484162.db2.gz RLHMZKKHJHBAQM-LLVKDONJSA-N -1 3 378.222 3.763 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC000808646028 886591236 /nfs/dbraw/zinc/59/12/36/886591236.db2.gz BSLZCLCQCFMPAP-UHFFFAOYSA-N -1 3 392.280 3.963 20 0 GHADHM CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057289338 886597101 /nfs/dbraw/zinc/59/71/01/886597101.db2.gz VFZXOEKVXASWNX-AWEZNQCLSA-N -1 3 378.881 3.536 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(F)c(C(F)(F)F)cc1F ZINC000808622972 886610908 /nfs/dbraw/zinc/61/09/08/886610908.db2.gz ZBFGQKGMAUSMAF-UHFFFAOYSA-N -1 3 376.672 3.932 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](Cc3cccc(Cl)c3F)C(C)=O)n[n-]c21 ZINC000808675476 886671258 /nfs/dbraw/zinc/67/12/58/886671258.db2.gz IGZXSOZIASDIKN-OAHLLOKOSA-N -1 3 390.798 3.721 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](Cc3cccc(Cl)c3F)C(C)=O)[n-]nc21 ZINC000808675476 886671263 /nfs/dbraw/zinc/67/12/63/886671263.db2.gz IGZXSOZIASDIKN-OAHLLOKOSA-N -1 3 390.798 3.721 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccccc3C(C)C)n[n-]c21 ZINC000808674847 886672804 /nfs/dbraw/zinc/67/28/04/886672804.db2.gz ZHBLPEDTURGWCV-CYBMUJFWSA-N -1 3 381.432 3.879 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000808674847 886672811 /nfs/dbraw/zinc/67/28/11/886672811.db2.gz ZHBLPEDTURGWCV-CYBMUJFWSA-N -1 3 381.432 3.879 20 0 GHADHM C[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000640291363 886779785 /nfs/dbraw/zinc/77/97/85/886779785.db2.gz ARDPJRQDMOTXJM-VIFPVBQESA-N -1 3 378.757 3.585 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459309048 887245478 /nfs/dbraw/zinc/24/54/78/887245478.db2.gz SCKSKZCPOPXHIH-UHFFFAOYSA-N -1 3 377.492 3.803 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)c1ccccc1 ZINC000129240930 887274118 /nfs/dbraw/zinc/27/41/18/887274118.db2.gz WTCKZWKGRCIGLR-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)c1ccccc1 ZINC000129240930 887274131 /nfs/dbraw/zinc/27/41/31/887274131.db2.gz WTCKZWKGRCIGLR-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM COC(=O)c1nc([N-]C(=O)c2c(C)noc2C(F)(F)F)sc1C(C)C ZINC000809387220 887360991 /nfs/dbraw/zinc/36/09/91/887360991.db2.gz USFMZHHFLLDOKV-UHFFFAOYSA-N -1 3 377.344 3.621 20 0 GHADHM O=C([O-])C[C@H](CNCc1cccnc1Br)c1ccc(Cl)cc1 ZINC000864504298 887808711 /nfs/dbraw/zinc/80/87/11/887808711.db2.gz DRSHEIKQRBQMQK-CYBMUJFWSA-N -1 3 383.673 3.846 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1C ZINC000614837962 887892731 /nfs/dbraw/zinc/89/27/31/887892731.db2.gz YXBHYQSWZAIVQW-SFHVURJKSA-N -1 3 391.489 3.752 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000055223072 888118751 /nfs/dbraw/zinc/11/87/51/888118751.db2.gz ADPVTTGPAZPUNC-JTQLQIEISA-N -1 3 382.338 3.740 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000810067619 888154812 /nfs/dbraw/zinc/15/48/12/888154812.db2.gz XDYCJDNZXQCANV-NSHDSACASA-N -1 3 399.240 3.763 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c(C)c1 ZINC000055587389 888206417 /nfs/dbraw/zinc/20/64/17/888206417.db2.gz HIFLHHDMRXMDEI-UHFFFAOYSA-N -1 3 375.368 3.746 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810142293 888211309 /nfs/dbraw/zinc/21/13/09/888211309.db2.gz GPGLHDQQPQNFOJ-ZDUSSCGKSA-N -1 3 385.430 3.907 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000763208700 888291640 /nfs/dbraw/zinc/29/16/40/888291640.db2.gz AZDVHDUGBPBVLU-UHFFFAOYSA-N -1 3 385.461 3.931 20 0 GHADHM CC(C)Oc1cc(Cl)c(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1Cl ZINC000865866581 888620887 /nfs/dbraw/zinc/62/08/87/888620887.db2.gz RGZSTKFNURUYLG-UHFFFAOYSA-N -1 3 398.290 3.639 20 0 GHADHM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000796104080 913279022 /nfs/dbraw/zinc/27/90/22/913279022.db2.gz NLABIOWTDTZTOI-RDTXWAMCSA-N -1 3 388.514 3.519 20 0 GHADHM COc1ccc(S(C)(=O)=O)cc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810712417 888822619 /nfs/dbraw/zinc/82/26/19/888822619.db2.gz LFEDYCWIMZXHJO-UHFFFAOYSA-N -1 3 399.877 3.652 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](CC(C)(C)C)C2)cc1OC ZINC000454369217 888955687 /nfs/dbraw/zinc/95/56/87/888955687.db2.gz SBTIGKVYQNDIIV-CQSZACIVSA-N -1 3 397.541 3.747 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCCC[C@H]2F)cc(C(F)(F)F)c1 ZINC000810894740 889003622 /nfs/dbraw/zinc/00/36/22/889003622.db2.gz GMVJQTJFNGHKID-CHWSQXEVSA-N -1 3 383.363 3.514 20 0 GHADHM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000867614719 889104467 /nfs/dbraw/zinc/10/44/67/889104467.db2.gz KFVMLBXNKUETMG-UHFFFAOYSA-N -1 3 380.432 3.505 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Cl)cc1F ZINC000121817397 889161223 /nfs/dbraw/zinc/16/12/23/889161223.db2.gz GZTFIBLMHDRJNM-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000497034172 889300295 /nfs/dbraw/zinc/30/02/95/889300295.db2.gz RDRGFNMDVNLPTA-QGZVFWFLSA-N -1 3 384.382 3.792 20 0 GHADHM O=C(OCCc1c(F)cccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000747687772 889306582 /nfs/dbraw/zinc/30/65/82/889306582.db2.gz FLNXPAMEHCEDSR-QGZVFWFLSA-N -1 3 391.826 3.575 20 0 GHADHM COc1ccc(Br)cc1CN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000532957343 889424368 /nfs/dbraw/zinc/42/43/68/889424368.db2.gz HYGAPCQYRIRNBV-UHFFFAOYSA-N -1 3 397.244 3.644 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1C ZINC000063181180 889519740 /nfs/dbraw/zinc/51/97/40/889519740.db2.gz IIZXHJBXUUQCBZ-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccc2c(c1)OCCO2 ZINC000811394520 889535786 /nfs/dbraw/zinc/53/57/86/889535786.db2.gz UBQIFPXOXILMFY-UHFFFAOYSA-N -1 3 377.805 3.694 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000122363854 889699992 /nfs/dbraw/zinc/69/99/92/889699992.db2.gz 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GHADHM O=C(NCCNc1oc(-c2ccccc2)nc1C(F)(F)F)c1ccc([O-])cc1 ZINC001184885439 913480189 /nfs/dbraw/zinc/48/01/89/913480189.db2.gz LUOGUUXDMXDQKK-UHFFFAOYSA-N -1 3 391.349 3.908 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2c(F)cc(Br)cc2F)s1 ZINC000127011701 890847920 /nfs/dbraw/zinc/84/79/20/890847920.db2.gz ARLUPWWERIHBRJ-UHFFFAOYSA-N -1 3 377.210 3.891 20 0 GHADHM Cc1csc([C@@H]2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2)n1 ZINC000871753186 891001606 /nfs/dbraw/zinc/00/16/06/891001606.db2.gz MCIMCXWJLSWERW-OAHLLOKOSA-N -1 3 395.488 3.944 20 0 GHADHM CC(C)C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000127360505 891019118 /nfs/dbraw/zinc/01/91/18/891019118.db2.gz HCXWKHYJPNCOLS-FQEVSTJZSA-N -1 3 395.503 3.647 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCc3ccc(F)c(F)c3)cc2)n1 ZINC000127494386 891096657 /nfs/dbraw/zinc/09/66/57/891096657.db2.gz ZWANYFMOIDNNMV-UHFFFAOYSA-N -1 3 383.398 3.985 20 0 GHADHM Cc1nc(C(=O)Nc2cc(Br)ccc2[O-])sc1Br ZINC001184901674 913522144 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CCc1ccc([O-])c(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c1 ZINC000127951065 891331558 /nfs/dbraw/zinc/33/15/58/891331558.db2.gz QQJHRBFPQTXPGH-UHFFFAOYSA-N -1 3 384.476 3.689 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000872988279 891412154 /nfs/dbraw/zinc/41/21/54/891412154.db2.gz MYCDRBGUSBGFGC-JUXOCIIHSA-N -1 3 398.528 3.623 20 0 GHADHM CC(=O)N(Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1)C1CC1 ZINC000128128202 891432063 /nfs/dbraw/zinc/43/20/63/891432063.db2.gz IRSDYZNMHFPIPO-UHFFFAOYSA-N -1 3 394.471 3.869 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1C ZINC000614872804 891483248 /nfs/dbraw/zinc/48/32/48/891483248.db2.gz BPJXEHOCUBJHGM-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(-c3ccccc3OC)on2)c1F ZINC000813306220 891496418 /nfs/dbraw/zinc/49/64/18/891496418.db2.gz OWBKIOFXPASNDS-UHFFFAOYSA-N -1 3 388.326 3.667 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CC2CCC2)(C(=O)Nc2cncc([O-])c2)CC1 ZINC001185019057 913581709 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CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2O1 ZINC000917742362 892457491 /nfs/dbraw/zinc/45/74/91/892457491.db2.gz HOFOZVKVWDAJSF-UHFFFAOYSA-N -1 3 389.351 3.893 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)c([O-])c1 ZINC000497802124 892469223 /nfs/dbraw/zinc/46/92/23/892469223.db2.gz GUYHGESATWKDIT-UHFFFAOYSA-N -1 3 387.461 3.893 20 0 GHADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000645089075 913668102 /nfs/dbraw/zinc/66/81/02/913668102.db2.gz UYTXRMZOWOHKTO-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000288153969 913673335 /nfs/dbraw/zinc/67/33/35/913673335.db2.gz JUCWMUNYMNDMPG-UHFFFAOYSA-N -1 3 390.358 3.793 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(Br)cc1F ZINC001185123145 913678248 /nfs/dbraw/zinc/67/82/48/913678248.db2.gz CWANZPPSOCMUHL-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C)CC3)nc(=O)c2c1C ZINC000068838058 892831470 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GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccc(Cl)nc1C(F)(F)F ZINC000876459885 893183870 /nfs/dbraw/zinc/18/38/70/893183870.db2.gz NYCUVYKKHWDHGN-SSDOTTSWSA-N -1 3 378.763 3.709 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccco1 ZINC000508773950 893300481 /nfs/dbraw/zinc/30/04/81/893300481.db2.gz KNZQLBRTAVMSLJ-QGZVFWFLSA-N -1 3 385.913 3.809 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)c3occ(C)c3C)[n-]c2c(Br)c1 ZINC001134789136 893304718 /nfs/dbraw/zinc/30/47/18/893304718.db2.gz NVLBPQGSGLJFAT-UHFFFAOYSA-N -1 3 392.209 3.574 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@H]3CCC(C)(C)C3)[n-]c2c(Br)c1 ZINC001134788507 893305500 /nfs/dbraw/zinc/30/55/00/893305500.db2.gz DPLXGQJBYMQSHU-SECBINFHSA-N -1 3 394.269 3.877 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459397050 893458341 /nfs/dbraw/zinc/45/83/41/893458341.db2.gz WJKROCSAVRUBHO-ZDUSSCGKSA-N -1 3 391.309 3.973 20 0 GHADHM C[C@@H]1CN(c2ccc(NCc3cccc([O-])c3Br)cn2)C[C@H](C)O1 ZINC000459455560 893559349 /nfs/dbraw/zinc/55/93/49/893559349.db2.gz GIXVJWSVIWWPJT-BETUJISGSA-N -1 3 392.297 3.775 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3C[C@H]3Cc3ccccc3)nc21 ZINC001134940364 893645187 /nfs/dbraw/zinc/64/51/87/893645187.db2.gz CXEZNLTVVQZTFT-CVEARBPZSA-N -1 3 377.444 3.947 20 0 GHADHM CCOc1cc(CNc2ccc(CS(=O)(=O)CC)cc2)cc(Cl)c1[O-] ZINC000459564129 893829716 /nfs/dbraw/zinc/82/97/16/893829716.db2.gz RSERZGDROJOSFX-UHFFFAOYSA-N -1 3 383.897 3.991 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](C)N1CC(F)(F)F ZINC000934794047 893915894 /nfs/dbraw/zinc/91/58/94/893915894.db2.gz VYRCWZLORDZYOQ-TXEJJXNPSA-N -1 3 394.397 3.539 20 0 GHADHM CC(C)c1csc2[n-]c(CS(=O)(=O)c3ccc(Cl)cc3)nc(=O)c12 ZINC000069981125 894008040 /nfs/dbraw/zinc/00/80/40/894008040.db2.gz RBOJFXNWMMUJGX-UHFFFAOYSA-N -1 3 382.894 3.735 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cnc(Oc2ccccc2)cn1 ZINC000536891898 894041174 /nfs/dbraw/zinc/04/11/74/894041174.db2.gz AEMFFQDWRAJXMP-UHFFFAOYSA-N -1 3 393.353 3.611 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000537017512 894197822 /nfs/dbraw/zinc/19/78/22/894197822.db2.gz BKOCDTKRQVICCL-GOEBONIOSA-N -1 3 391.798 3.566 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000563799705 894206924 /nfs/dbraw/zinc/20/69/24/894206924.db2.gz FINSNIVFBTUWMB-HNNXBMFYSA-N -1 3 389.546 3.890 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2cc([O-])ccc2Cl)C2CC2)C1 ZINC000815846654 894256937 /nfs/dbraw/zinc/25/69/37/894256937.db2.gz RLFYUMHLZBJDJZ-ZDUSSCGKSA-N -1 3 380.872 3.660 20 0 GHADHM COc1ccccc1C1(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000645374106 913859133 /nfs/dbraw/zinc/85/91/33/913859133.db2.gz XOGIRTYGUUSJEV-UHFFFAOYSA-N -1 3 391.265 3.652 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(c3ccc(F)cc3F)CCOCC2)[nH][n-]1 ZINC000537118509 894338520 /nfs/dbraw/zinc/33/85/20/894338520.db2.gz PGSICHYIWDDMKO-UHFFFAOYSA-N -1 3 397.425 3.772 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185445086 913867341 /nfs/dbraw/zinc/86/73/41/913867341.db2.gz UISVSWKNQKKULY-UHFFFAOYSA-N -1 3 385.370 3.635 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185445086 913867354 /nfs/dbraw/zinc/86/73/54/913867354.db2.gz UISVSWKNQKKULY-UHFFFAOYSA-N -1 3 385.370 3.635 20 0 GHADHM CCn1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC001135436020 894581723 /nfs/dbraw/zinc/58/17/23/894581723.db2.gz WOAWISVATXNZNZ-UHFFFAOYSA-N -1 3 398.488 3.573 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)o1 ZINC000878813116 894637513 /nfs/dbraw/zinc/63/75/13/894637513.db2.gz IGGLNEMDKZAKBI-IHPCNDPISA-N -1 3 377.444 3.937 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000564159969 894666067 /nfs/dbraw/zinc/66/60/67/894666067.db2.gz VNHXYLDNRXOUAH-LLVKDONJSA-N -1 3 395.640 3.873 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C(\C)Cl)ccc2C)cc1 ZINC001135502546 894714967 /nfs/dbraw/zinc/71/49/67/894714967.db2.gz AOMKEEMLYKJNKO-JLHYYAGUSA-N -1 3 394.880 3.886 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)Nc2ccsc2)c2ccccc21)C(F)(F)F ZINC000878911169 894716960 /nfs/dbraw/zinc/71/69/60/894716960.db2.gz FMZXRCVBOGINQC-LLVKDONJSA-N -1 3 383.395 3.952 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000878916404 894720201 /nfs/dbraw/zinc/72/02/01/894720201.db2.gz XDXWFXCEEIADGM-NRFANRHFSA-N -1 3 399.878 3.977 20 0 GHADHM O=C([N-]c1nc2ccccn2n1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000537306854 894741996 /nfs/dbraw/zinc/74/19/96/894741996.db2.gz CBSDSOBNNRHSOH-UHFFFAOYSA-N -1 3 382.836 3.576 20 0 GHADHM CC(C)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000537288887 894749074 /nfs/dbraw/zinc/74/90/74/894749074.db2.gz BROKZEKOMHGDNR-OAHLLOKOSA-N -1 3 379.420 3.829 20 0 GHADHM CC(C)(C)OC(=O)[C@](C)(NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878996502 894771325 /nfs/dbraw/zinc/77/13/25/894771325.db2.gz KRKBMSNJPUDKCN-JOCHJYFZSA-N -1 3 395.459 3.789 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)OCCc2sccc21 ZINC000564408894 894948437 /nfs/dbraw/zinc/94/84/37/894948437.db2.gz CHCIPDIUZRKZJK-HNNXBMFYSA-N -1 3 392.329 3.821 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000816656878 895001295 /nfs/dbraw/zinc/00/12/95/895001295.db2.gz FVKRWUYLMYIGNC-XHBSWPGZSA-N -1 3 382.888 3.809 20 0 GHADHM O=C(N[C@H](CO)c1ccc(Br)cc1)c1cc2sccc2c([O-])c1 ZINC000816834385 895094458 /nfs/dbraw/zinc/09/44/58/895094458.db2.gz PRMODJJIRYANDL-CQSZACIVSA-N -1 3 392.274 3.833 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]c(-c3ccccc3)n2)[nH][n-]1 ZINC000564609066 895119279 /nfs/dbraw/zinc/11/92/79/895119279.db2.gz BHJHNRPHVVTYKF-UHFFFAOYSA-N -1 3 393.834 3.803 20 0 GHADHM COc1ccccc1[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCO1 ZINC000879631902 895187249 /nfs/dbraw/zinc/18/72/49/895187249.db2.gz VXIDAWSQSHOOSN-GOSISDBHSA-N -1 3 391.427 3.664 20 0 GHADHM O=C(N[C@@H]1CC2CCC1CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000564718238 895207023 /nfs/dbraw/zinc/20/70/23/895207023.db2.gz FXEOYCFTMBCYPI-QKFMDRJYSA-N -1 3 375.266 3.599 20 0 GHADHM O=C(N[C@H]1C[C@H]1C1CCN(C(=O)c2ccccc2[O-])CC1)OCc1ccccc1 ZINC000816986374 895243000 /nfs/dbraw/zinc/24/30/00/895243000.db2.gz DSFXPLXQRUHYQO-PMACEKPBSA-N -1 3 394.471 3.559 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000817000062 895252775 /nfs/dbraw/zinc/25/27/75/895252775.db2.gz IMFJNHSEEHZLAF-FUHWJXTLSA-N -1 3 388.508 3.987 20 0 GHADHM Cc1ccc([C@H](CNc2ncnc3sc(C(=O)[O-])c(C)c32)N2CCCC2)o1 ZINC000565035455 895359982 /nfs/dbraw/zinc/35/99/82/895359982.db2.gz IAHFKDUHQLZHFZ-ZDUSSCGKSA-N -1 3 386.477 3.848 20 0 GHADHM CC(C)Oc1ccc(CCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001135839682 895390532 /nfs/dbraw/zinc/39/05/32/895390532.db2.gz OPSQGZIWRJVURT-UHFFFAOYSA-N -1 3 384.863 3.941 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3cnn(C)c3c2)c1Cl ZINC000565279053 895501000 /nfs/dbraw/zinc/50/10/00/895501000.db2.gz WYGADPDDFAOUKC-UHFFFAOYSA-N -1 3 384.288 3.667 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(Cl)nccc3C(F)(F)F)nc21 ZINC000128212020 895530778 /nfs/dbraw/zinc/53/07/78/895530778.db2.gz VEFNVINTURMKKR-UHFFFAOYSA-N -1 3 398.728 3.669 20 0 GHADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000565394722 895590134 /nfs/dbraw/zinc/59/01/34/895590134.db2.gz MLLAUCLOOJJZQV-UHFFFAOYSA-N -1 3 392.235 3.649 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)c2cccc3n[n-]nc32)c(C(F)(F)F)c1 ZINC000565532570 895707122 /nfs/dbraw/zinc/70/71/22/895707122.db2.gz XAGWNWZQGSEATJ-UHFFFAOYSA-N -1 3 378.354 3.694 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(Cl)cc2OC)cc1[N-]S(C)(=O)=O ZINC000817581014 895752139 /nfs/dbraw/zinc/75/21/39/895752139.db2.gz ODGLAZPSCYFPGC-NSHDSACASA-N -1 3 384.885 3.902 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC000774907094 914002938 /nfs/dbraw/zinc/00/29/38/914002938.db2.gz YWKSYESCMYRFPF-MUSGIIIZSA-N -1 3 379.865 3.535 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1nnc2ccccc2c1[O-] ZINC000817688440 895838965 /nfs/dbraw/zinc/83/89/65/895838965.db2.gz WDUDRIPQUIWZCQ-OAHLLOKOSA-N -1 3 377.444 3.819 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000128620822 895879760 /nfs/dbraw/zinc/87/97/60/895879760.db2.gz DQMKYCGPVYQEOR-MRXNPFEDSA-N -1 3 386.423 3.832 20 0 GHADHM O=C([N-]c1nncn1Cc1ccccc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000565804876 895894784 /nfs/dbraw/zinc/89/47/84/895894784.db2.gz AWANWHYKOKBACC-UHFFFAOYSA-N -1 3 382.292 3.876 20 0 GHADHM COc1ccc(-c2cnc(CN3CC[C@@](C(=O)[O-])(c4ccccc4)C3)o2)cc1 ZINC000565898005 895966063 /nfs/dbraw/zinc/96/60/63/895966063.db2.gz GWQQHBVXZAUOLW-QFIPXVFZSA-N -1 3 378.428 3.579 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1C(F)(F)F)C1CC1)c1ccc(Cl)nc1 ZINC001185704401 914030098 /nfs/dbraw/zinc/03/00/98/914030098.db2.gz WUZXVQGTDGKANA-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM C[C@H](SC[C@H]1CN(C)CCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000566214729 896175535 /nfs/dbraw/zinc/17/55/35/896175535.db2.gz NTYZPGSGAGFRSF-NWDGAFQWSA-N -1 3 391.518 3.782 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@@H](c3nncn3C3CC3)C2)c1C ZINC000566290130 896219455 /nfs/dbraw/zinc/21/94/55/896219455.db2.gz BBMURMDLICXFQT-OAHLLOKOSA-N -1 3 391.475 3.860 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000566362397 896256964 /nfs/dbraw/zinc/25/69/64/896256964.db2.gz SQFJXKASCHUXKM-ORAYPTAESA-N -1 3 378.856 3.788 20 0 GHADHM COc1ccc(COCCSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826207073 896267989 /nfs/dbraw/zinc/26/79/89/896267989.db2.gz ZAIXBEIEVKDWBQ-UHFFFAOYSA-N -1 3 376.869 3.838 20 0 GHADHM COc1ccc(COCCSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826207073 896268001 /nfs/dbraw/zinc/26/80/01/896268001.db2.gz ZAIXBEIEVKDWBQ-UHFFFAOYSA-N -1 3 376.869 3.838 20 0 GHADHM CCc1cccc(N(C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1 ZINC000566423830 896304868 /nfs/dbraw/zinc/30/48/68/896304868.db2.gz QUNMCKCAARWZID-UHFFFAOYSA-N -1 3 391.493 3.688 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001185772247 914074320 /nfs/dbraw/zinc/07/43/20/914074320.db2.gz YBVXJECNMLHMCO-SECBINFHSA-N -1 3 396.793 3.802 20 0 GHADHM CSc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826231104 896557596 /nfs/dbraw/zinc/55/75/96/896557596.db2.gz XHXIOWFZRYWYOD-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CSc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826231104 896557606 /nfs/dbraw/zinc/55/76/06/896557606.db2.gz XHXIOWFZRYWYOD-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM Cc1c(Cl)cccc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826237247 896592117 /nfs/dbraw/zinc/59/21/17/896592117.db2.gz TYTMANPJRGYVHM-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1c(Cl)cccc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826237247 896592126 /nfs/dbraw/zinc/59/21/26/896592126.db2.gz TYTMANPJRGYVHM-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)s1 ZINC000881973626 896594455 /nfs/dbraw/zinc/59/44/55/896594455.db2.gz ZBBUSOXFJMOLJY-SSDOTTSWSA-N -1 3 385.820 3.558 20 0 GHADHM CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccccc1 ZINC001185794565 914088561 /nfs/dbraw/zinc/08/85/61/914088561.db2.gz NYCMAUMHEHIDPX-UHFFFAOYSA-N -1 3 379.869 3.522 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)(C)C)s1 ZINC001185754714 914088820 /nfs/dbraw/zinc/08/88/20/914088820.db2.gz XBMBMOABGRUUHJ-INIZCTEOSA-N -1 3 381.519 3.909 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(-c2ccccc2F)n1 ZINC000826254707 896740006 /nfs/dbraw/zinc/74/00/06/896740006.db2.gz XKNBECSPAIYFOL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(-c2ccccc2F)n1 ZINC000826254707 896740012 /nfs/dbraw/zinc/74/00/12/896740012.db2.gz XKNBECSPAIYFOL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000129665858 896807766 /nfs/dbraw/zinc/80/77/66/896807766.db2.gz BRUDVHWSOOLYFR-AWEZNQCLSA-N -1 3 378.428 3.538 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cnc1Cl ZINC000130511878 897120912 /nfs/dbraw/zinc/12/09/12/897120912.db2.gz WGFRXTWHXFBXQF-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349804 897286055 /nfs/dbraw/zinc/28/60/55/897286055.db2.gz IQMKQXIOMANCQZ-OXJNMPFZSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349804 897286076 /nfs/dbraw/zinc/28/60/76/897286076.db2.gz IQMKQXIOMANCQZ-OXJNMPFZSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000820740951 897528791 /nfs/dbraw/zinc/52/87/91/897528791.db2.gz AROVTJZUGZIGIO-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000820740951 897528802 /nfs/dbraw/zinc/52/88/02/897528802.db2.gz AROVTJZUGZIGIO-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM COC(=O)c1cnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 ZINC000820798918 897558581 /nfs/dbraw/zinc/55/85/81/897558581.db2.gz PUKXIGKZESFMOJ-VOTSOKGWSA-N -1 3 387.244 3.588 20 0 GHADHM Cc1nc(C)c(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826324005 897599992 /nfs/dbraw/zinc/59/99/92/897599992.db2.gz APIJMMCZMAUTJV-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(C)c(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826324005 897600002 /nfs/dbraw/zinc/60/00/02/897600002.db2.gz APIJMMCZMAUTJV-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826322845 897608527 /nfs/dbraw/zinc/60/85/27/897608527.db2.gz DKSOKSAWZDXUMF-SNVBAGLBSA-N -1 3 398.423 3.684 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826322845 897608533 /nfs/dbraw/zinc/60/85/33/897608533.db2.gz DKSOKSAWZDXUMF-SNVBAGLBSA-N -1 3 398.423 3.684 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000132269807 897739716 /nfs/dbraw/zinc/73/97/16/897739716.db2.gz XHULRTZWWHQQRJ-UHFFFAOYSA-N -1 3 389.521 3.991 20 0 GHADHM [O-]c1cccnc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000568416111 897819856 /nfs/dbraw/zinc/81/98/56/897819856.db2.gz NDIKWBFXYTWBBU-HNNXBMFYSA-N -1 3 386.452 3.656 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821476481 897917073 /nfs/dbraw/zinc/91/70/73/897917073.db2.gz OQBXNDGBEZTGSF-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821476481 897917085 /nfs/dbraw/zinc/91/70/85/897917085.db2.gz OQBXNDGBEZTGSF-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@H](Cc4ccncc4)C3)c2c1 ZINC000826352799 898008694 /nfs/dbraw/zinc/00/86/94/898008694.db2.gz OJPJWEGZAZTWQV-CQSZACIVSA-N -1 3 391.866 3.532 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@H](Cc4ccncc4)C3)c2c1 ZINC000826352799 898008708 /nfs/dbraw/zinc/00/87/08/898008708.db2.gz OJPJWEGZAZTWQV-CQSZACIVSA-N -1 3 391.866 3.532 20 0 GHADHM COCc1nc(C)cc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000821696171 898031430 /nfs/dbraw/zinc/03/14/30/898031430.db2.gz ZNELMMKLFBJROJ-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM COCc1nc(C)cc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000821696171 898031443 /nfs/dbraw/zinc/03/14/43/898031443.db2.gz ZNELMMKLFBJROJ-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000104508917 898149228 /nfs/dbraw/zinc/14/92/28/898149228.db2.gz PBNOFUBTPDCDAK-UHFFFAOYSA-N -1 3 396.318 3.720 20 0 GHADHM FC(F)(F)[C@@H](NCCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826367214 898150983 /nfs/dbraw/zinc/15/09/83/898150983.db2.gz PXWLYJLLHYYNLA-HNNXBMFYSA-N -1 3 397.788 3.792 20 0 GHADHM FC(F)(F)[C@@H](NCCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826367214 898150988 /nfs/dbraw/zinc/15/09/88/898150988.db2.gz PXWLYJLLHYYNLA-HNNXBMFYSA-N -1 3 397.788 3.792 20 0 GHADHM FC(F)(F)COCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826367830 898188982 /nfs/dbraw/zinc/18/89/82/898188982.db2.gz QAFDGVZXVIOBRC-UHFFFAOYSA-N -1 3 386.321 3.947 20 0 GHADHM FC(F)(F)COCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826367830 898188992 /nfs/dbraw/zinc/18/89/92/898188992.db2.gz QAFDGVZXVIOBRC-UHFFFAOYSA-N -1 3 386.321 3.947 20 0 GHADHM CN(C[C@H](c1cccs1)N1CCOCC1)c1c(C(=O)[O-])cnc2ccccc21 ZINC000568887932 898190824 /nfs/dbraw/zinc/19/08/24/898190824.db2.gz QXZURUGWCXKGSZ-GOSISDBHSA-N -1 3 397.500 3.504 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)n1 ZINC000826369268 898203116 /nfs/dbraw/zinc/20/31/16/898203116.db2.gz UYWVCVUHKXZTPJ-LLVKDONJSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)n1 ZINC000826369268 898203134 /nfs/dbraw/zinc/20/31/34/898203134.db2.gz UYWVCVUHKXZTPJ-LLVKDONJSA-N -1 3 397.792 3.577 20 0 GHADHM O=C([O-])[C@@H](CSCc1cccc2cccnc21)NCc1cccc(F)c1F ZINC000568942458 898228283 /nfs/dbraw/zinc/22/82/83/898228283.db2.gz LPYBZCPTWRPWHV-QGZVFWFLSA-N -1 3 388.439 3.989 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c([O-])c1 ZINC001136551261 898244375 /nfs/dbraw/zinc/24/43/75/898244375.db2.gz UVQGFGVQQPYEPD-UHFFFAOYSA-N -1 3 399.454 3.849 20 0 GHADHM Cc1ccc(CCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000822235891 898263552 /nfs/dbraw/zinc/26/35/52/898263552.db2.gz AXMMFOQLKLODHD-UHFFFAOYSA-N -1 3 393.419 3.799 20 0 GHADHM Cc1ccc(CCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000822235891 898263564 /nfs/dbraw/zinc/26/35/64/898263564.db2.gz AXMMFOQLKLODHD-UHFFFAOYSA-N -1 3 393.419 3.799 20 0 GHADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1cccc(Cl)c1 ZINC000043183486 898281001 /nfs/dbraw/zinc/28/10/01/898281001.db2.gz OLKPZASNXBFIFZ-SNVBAGLBSA-N -1 3 396.672 3.808 20 0 GHADHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000805796049 898540420 /nfs/dbraw/zinc/54/04/20/898540420.db2.gz AUTXIQIPHLXFSY-JSGCOSHPSA-N -1 3 398.463 3.569 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826375583 898626802 /nfs/dbraw/zinc/62/68/02/898626802.db2.gz TXLOARKRRYISEE-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826375583 898626812 /nfs/dbraw/zinc/62/68/12/898626812.db2.gz TXLOARKRRYISEE-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000822824029 898655241 /nfs/dbraw/zinc/65/52/41/898655241.db2.gz DHGSSABYRFKAEO-UHFFFAOYSA-N -1 3 394.397 3.861 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000822824029 898655252 /nfs/dbraw/zinc/65/52/52/898655252.db2.gz DHGSSABYRFKAEO-UHFFFAOYSA-N -1 3 394.397 3.861 20 0 GHADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1[n-]cnc1C(F)(F)F ZINC000823009130 898793508 /nfs/dbraw/zinc/79/35/08/898793508.db2.gz WLTYGSMWDRLENF-UHFFFAOYSA-N -1 3 375.354 3.881 20 0 GHADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1nc[n-]c1C(F)(F)F ZINC000823009130 898793517 /nfs/dbraw/zinc/79/35/17/898793517.db2.gz WLTYGSMWDRLENF-UHFFFAOYSA-N -1 3 375.354 3.881 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC001136662451 898800908 /nfs/dbraw/zinc/80/09/08/898800908.db2.gz KKFOKXLEHCHSIU-LJQANCHMSA-N -1 3 380.510 3.537 20 0 GHADHM Cn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C2CCCCC2)n1 ZINC000331577523 898996586 /nfs/dbraw/zinc/99/65/86/898996586.db2.gz LCDPJNFYECGAGE-UHFFFAOYSA-N -1 3 392.297 3.866 20 0 GHADHM COC(=O)C[C@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115190775 899166672 /nfs/dbraw/zinc/16/66/72/899166672.db2.gz WRUNPTXQVKTXDO-UWVGGRQHSA-N -1 3 378.475 3.990 20 0 GHADHM C(=C\[C@@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)\c1ccccc1 ZINC000823861331 899283445 /nfs/dbraw/zinc/28/34/45/899283445.db2.gz DTQWCOSHFSWFBO-RNNBRSHQSA-N -1 3 399.458 3.595 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C(C)C)C3(CO)CC=CC3)cc2)cc(=O)[n-]1 ZINC000646229450 914335186 /nfs/dbraw/zinc/33/51/86/914335186.db2.gz AVZYTTOHBURZQR-HXUWFJFHSA-N -1 3 396.491 3.632 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824029713 899351504 /nfs/dbraw/zinc/35/15/04/899351504.db2.gz QACUIJWDQKVRHI-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824029713 899351518 /nfs/dbraw/zinc/35/15/18/899351518.db2.gz QACUIJWDQKVRHI-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824114477 899415950 /nfs/dbraw/zinc/41/59/50/899415950.db2.gz SNIBJTAAVGQRAU-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824114477 899415956 /nfs/dbraw/zinc/41/59/56/899415956.db2.gz SNIBJTAAVGQRAU-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824154826 899429723 /nfs/dbraw/zinc/42/97/23/899429723.db2.gz SGNGADNGFIJHPE-UHFFFAOYSA-N -1 3 382.489 3.896 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332140565 899430114 /nfs/dbraw/zinc/43/01/14/899430114.db2.gz JDFLZCUWBHVIBT-SDBXPKJASA-N -1 3 383.673 3.862 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000824319551 899526463 /nfs/dbraw/zinc/52/64/63/899526463.db2.gz UDVGNOQTPIWWQK-QRTARXTBSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000824319551 899526469 /nfs/dbraw/zinc/52/64/69/899526469.db2.gz UDVGNOQTPIWWQK-QRTARXTBSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)c1noc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000824371706 899570245 /nfs/dbraw/zinc/57/02/45/899570245.db2.gz OZKZQHQMXFHWNQ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1noc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000824371706 899570251 /nfs/dbraw/zinc/57/02/51/899570251.db2.gz OZKZQHQMXFHWNQ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000332350805 899598357 /nfs/dbraw/zinc/59/83/57/899598357.db2.gz VGYMYUNLPURZMZ-SECBINFHSA-N -1 3 390.435 3.614 20 0 GHADHM C[C@H](NC(=O)C(C)(Cl)Cl)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472512 899619174 /nfs/dbraw/zinc/61/91/74/899619174.db2.gz WJJBISPBUXUYAH-NSHDSACASA-N -1 3 390.274 3.905 20 0 GHADHM C[C@H](NC(=O)C(C)(Cl)Cl)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472512 899619185 /nfs/dbraw/zinc/61/91/85/899619185.db2.gz WJJBISPBUXUYAH-NSHDSACASA-N -1 3 390.274 3.905 20 0 GHADHM C[C@@H](NC(=O)CC(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479615 899625670 /nfs/dbraw/zinc/62/56/70/899625670.db2.gz OUHDFROZGBJNFK-LLVKDONJSA-N -1 3 375.354 3.663 20 0 GHADHM C[C@@H](NC(=O)CC(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479615 899625676 /nfs/dbraw/zinc/62/56/76/899625676.db2.gz OUHDFROZGBJNFK-LLVKDONJSA-N -1 3 375.354 3.663 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824487706 899632508 /nfs/dbraw/zinc/63/25/08/899632508.db2.gz BZODJLLCAUFTOW-GJZGRUSLSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824487706 899632512 /nfs/dbraw/zinc/63/25/12/899632512.db2.gz BZODJLLCAUFTOW-GJZGRUSLSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824865315 899843353 /nfs/dbraw/zinc/84/33/53/899843353.db2.gz HLHNCJUXFWFOFZ-BXUZGUMPSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824865315 899843365 /nfs/dbraw/zinc/84/33/65/899843365.db2.gz HLHNCJUXFWFOFZ-BXUZGUMPSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824865317 899843763 /nfs/dbraw/zinc/84/37/63/899843763.db2.gz HLHNCJUXFWFOFZ-RISCZKNCSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824865317 899843766 /nfs/dbraw/zinc/84/37/66/899843766.db2.gz HLHNCJUXFWFOFZ-RISCZKNCSA-N -1 3 381.461 3.539 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc2nsnc2c1 ZINC001186216986 914393049 /nfs/dbraw/zinc/39/30/49/914393049.db2.gz FRYJMBDYDZZWPW-UHFFFAOYSA-N -1 3 377.344 3.650 20 0 GHADHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825034124 899945730 /nfs/dbraw/zinc/94/57/30/899945730.db2.gz DFWNTSPDDPGURU-UHFFFAOYSA-N -1 3 396.516 3.992 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825038543 899946623 /nfs/dbraw/zinc/94/66/23/899946623.db2.gz FFAALOUFIQHMJK-QGZVFWFLSA-N -1 3 395.463 3.795 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825038543 899946630 /nfs/dbraw/zinc/94/66/30/899946630.db2.gz FFAALOUFIQHMJK-QGZVFWFLSA-N -1 3 395.463 3.795 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825044885 899949214 /nfs/dbraw/zinc/94/92/14/899949214.db2.gz UYFLSBMVFXUCEB-UHFFFAOYSA-N -1 3 384.871 3.533 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825044885 899949223 /nfs/dbraw/zinc/94/92/23/899949223.db2.gz UYFLSBMVFXUCEB-UHFFFAOYSA-N -1 3 384.871 3.533 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c(C(=O)OCC)[n-]1 ZINC000571749191 899963663 /nfs/dbraw/zinc/96/36/63/899963663.db2.gz IBSSLFMTBLEYFU-MNOVXSKESA-N -1 3 375.391 3.846 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000825082641 899967515 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O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000159294725 902839199 /nfs/dbraw/zinc/83/91/99/902839199.db2.gz QQUXHJKEIHLVRF-CYBMUJFWSA-N -1 3 380.680 3.659 20 0 GHADHM Cc1ccc2sc(C[S@@](=O)Cc3nc(C(F)(F)F)cc(=O)[n-]3)nc2c1 ZINC000600907879 903080850 /nfs/dbraw/zinc/08/08/50/903080850.db2.gz YSQPOMOJVFTCJB-VWLOTQADSA-N -1 3 387.408 3.568 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc(-c3cccnc3)s2)c(C(=O)OCC)[n-]1 ZINC000577921927 903347402 /nfs/dbraw/zinc/34/74/02/903347402.db2.gz NQYRLKLXUKQMDF-UHFFFAOYSA-N -1 3 399.476 3.700 20 0 GHADHM COc1ccc(F)c(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)n1 ZINC001147765657 903864542 /nfs/dbraw/zinc/86/45/42/903864542.db2.gz RQTCZRLRARWWTF-UHFFFAOYSA-N -1 3 379.294 3.738 20 0 GHADHM NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001147881703 903906629 /nfs/dbraw/zinc/90/66/29/903906629.db2.gz OEWRWNUPIDPWNM-UHFFFAOYSA-N -1 3 380.831 3.988 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)[N-]OCC2CCC2)C1 ZINC001148106636 903974720 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387.423 3.876 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@@H](c2ccncc2C(F)(F)F)C2CC2)ccc1[O-] ZINC001148670661 904165484 /nfs/dbraw/zinc/16/54/84/904165484.db2.gz KQMGCKCYGOIFEO-QGZVFWFLSA-N -1 3 378.350 3.890 20 0 GHADHM CC(C)(C)C(=O)CN1CCC(NC(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148873312 904238582 /nfs/dbraw/zinc/23/85/82/904238582.db2.gz SJRWHNZDJUTNSY-UHFFFAOYSA-N -1 3 394.515 3.869 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001148940668 904252586 /nfs/dbraw/zinc/25/25/86/904252586.db2.gz OMMOAXUORVJSQI-UHFFFAOYSA-N -1 3 391.354 3.782 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H]1CCC[C@@H]1C ZINC000578991121 904280675 /nfs/dbraw/zinc/28/06/75/904280675.db2.gz CQYBPNYECJCBLY-IFXJQAMLSA-N -1 3 384.480 3.827 20 0 GHADHM C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000646773752 914835611 /nfs/dbraw/zinc/83/56/11/914835611.db2.gz GVLRIXBGYBFMCT-LLVKDONJSA-N -1 3 384.423 3.649 20 0 GHADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000188910872 905006159 /nfs/dbraw/zinc/00/61/59/905006159.db2.gz ZZNQBMLZALQNHN-SECBINFHSA-N -1 3 384.249 3.670 20 0 GHADHM O=c1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc(C2CC2)[n-]1 ZINC001171840474 905090190 /nfs/dbraw/zinc/09/01/90/905090190.db2.gz CJGPLIILVQSKQB-UHFFFAOYSA-N -1 3 379.291 3.689 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000175769188 905662642 /nfs/dbraw/zinc/66/26/42/905662642.db2.gz LUJUFWKXLGMXEP-BBRMVZONSA-N -1 3 394.899 3.570 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000176053700 905740196 /nfs/dbraw/zinc/74/01/96/905740196.db2.gz ZOLZIAUURMSYEU-UHFFFAOYSA-N -1 3 381.398 3.667 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000176629534 905900935 /nfs/dbraw/zinc/90/09/35/905900935.db2.gz WHQQRWGYXUMNGM-UHFFFAOYSA-N -1 3 394.805 3.815 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)ccn1 ZINC000777327573 906162560 /nfs/dbraw/zinc/16/25/60/906162560.db2.gz QHXWTKUTTPCUAF-CQSZACIVSA-N -1 3 379.416 3.949 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000190653972 906207301 /nfs/dbraw/zinc/20/73/01/906207301.db2.gz RLWLQNLHEUDNDC-NSHDSACASA-N -1 3 380.297 3.814 20 0 GHADHM CCCC[C@H](CC(C)C)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001173259151 906342627 /nfs/dbraw/zinc/34/26/27/906342627.db2.gz HAIHROYOQQBVJJ-CVEARBPZSA-N -1 3 386.583 3.622 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C)c1ccc(F)cc1 ZINC000629301707 906691769 /nfs/dbraw/zinc/69/17/69/906691769.db2.gz WAZSYPBGIGSXQG-AWEZNQCLSA-N -1 3 392.374 3.677 20 0 GHADHM COC(=O)C1(NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCCCC1 ZINC000299264768 921273234 /nfs/dbraw/zinc/27/32/34/921273234.db2.gz LQWTYWBWZLGVBJ-UHFFFAOYSA-N -1 3 387.461 3.622 20 0 GHADHM Cc1cc(C(=O)NC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)c(C)o1 ZINC000191312920 906867668 /nfs/dbraw/zinc/86/76/68/906867668.db2.gz OOLIJKKUUUQQNG-UHFFFAOYSA-N -1 3 380.847 3.789 20 0 GHADHM O=S(=O)(NCc1ccccc1)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174250864 906903573 /nfs/dbraw/zinc/90/35/73/906903573.db2.gz WBZOYUDOCJKQTI-UHFFFAOYSA-N -1 3 390.411 3.893 20 0 GHADHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2ccccc2cc1[O-] ZINC000182067544 907128535 /nfs/dbraw/zinc/12/85/35/907128535.db2.gz IFHNJJMBVYWWCY-UHFFFAOYSA-N -1 3 376.456 3.754 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1Cl ZINC001174848336 907255385 /nfs/dbraw/zinc/25/53/85/907255385.db2.gz AYYNZKVXYPVFTQ-UHFFFAOYSA-N -1 3 375.837 3.910 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccccc2OC(F)F)cc1[N-]S(C)(=O)=O ZINC000182728408 907257997 /nfs/dbraw/zinc/25/79/97/907257997.db2.gz SUFIOQHAKCSUNA-NSHDSACASA-N -1 3 386.420 3.841 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182885835 907281685 /nfs/dbraw/zinc/28/16/85/907281685.db2.gz ZGZPDXQNWTYBNV-UGSOOPFHSA-N -1 3 385.464 3.982 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182885774 907282112 /nfs/dbraw/zinc/28/21/12/907282112.db2.gz ZGZPDXQNWTYBNV-FZKQIMNGSA-N -1 3 385.464 3.982 20 0 GHADHM CC(C)(c1csc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)n1)c1ccccc1 ZINC000630531510 907312947 /nfs/dbraw/zinc/31/29/47/907312947.db2.gz AQSRIYZWIQDPPE-LLVKDONJSA-N -1 3 383.395 3.846 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1nc(Cc2ccccc2Cl)no1 ZINC000779517005 907357967 /nfs/dbraw/zinc/35/79/67/907357967.db2.gz SNSVXFKOWNJMKZ-MRXNPFEDSA-N -1 3 383.835 3.997 20 0 GHADHM CCOc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001175225352 907443230 /nfs/dbraw/zinc/44/32/30/907443230.db2.gz VNQHDJYHVXUSTN-UHFFFAOYSA-N -1 3 379.240 3.914 20 0 GHADHM COc1cc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)c(OC)c2)ccc1N ZINC001175430409 907550838 /nfs/dbraw/zinc/55/08/38/907550838.db2.gz PLRCDDFXTPMHSP-UHFFFAOYSA-N -1 3 388.431 3.877 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc(CC(=O)[O-])cc1 ZINC000901541200 921339245 /nfs/dbraw/zinc/33/92/45/921339245.db2.gz QIBOPVAERBWXDD-UHFFFAOYSA-N -1 3 377.488 3.774 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccccc4F)CC3)nc2)n1 ZINC000631442211 907712905 /nfs/dbraw/zinc/71/29/05/907712905.db2.gz ANEPNMCECQETPT-UHFFFAOYSA-N -1 3 394.450 3.994 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C3CCC3)[C@@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000631513531 907739056 /nfs/dbraw/zinc/73/90/56/907739056.db2.gz UBYWGHOXAVPDSH-AZUAARDMSA-N -1 3 382.464 3.627 20 0 GHADHM CCN(CC1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1)C(=O)OC(C)(C)C ZINC000192608663 907781950 /nfs/dbraw/zinc/78/19/50/907781950.db2.gz NKPKBANGVQMKOX-HNNXBMFYSA-N -1 3 378.517 3.521 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001176134667 907927938 /nfs/dbraw/zinc/92/79/38/907927938.db2.gz SCPKLDXVUUIABF-UHFFFAOYSA-N -1 3 388.467 3.934 20 0 GHADHM COc1cc(C(=O)NCc2ccc(Cl)cc2OC(C)C)cc(OC)c1[O-] ZINC001176416081 908108198 /nfs/dbraw/zinc/10/81/98/908108198.db2.gz MXIQJGNWMRJMEC-UHFFFAOYSA-N -1 3 379.840 3.780 20 0 GHADHM CC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000299507999 921389574 /nfs/dbraw/zinc/38/95/74/921389574.db2.gz MCVQYMQNIPMERR-LJQANCHMSA-N -1 3 376.460 3.753 20 0 GHADHM CCN(CCC(=O)[O-])Cc1cc(Br)cc(Br)c1OC ZINC000901605006 921392146 /nfs/dbraw/zinc/39/21/46/921392146.db2.gz IJMLCPFCICLKKE-UHFFFAOYSA-N -1 3 395.091 3.517 20 0 GHADHM O=C([N-]c1cscc1Cl)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC001176885103 908287112 /nfs/dbraw/zinc/28/71/12/908287112.db2.gz KVEJDVBXOBAING-UHFFFAOYSA-N -1 3 390.827 3.513 20 0 GHADHM CC(C)Oc1cccnc1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633729514 908449150 /nfs/dbraw/zinc/44/91/50/908449150.db2.gz NIUAFGUCJNDTBG-UHFFFAOYSA-N -1 3 382.314 3.627 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C)(C(C)C)CC2)c1 ZINC000190359361 908475369 /nfs/dbraw/zinc/47/53/69/908475369.db2.gz XAPAFTQQYBIZMC-UHFFFAOYSA-N -1 3 385.464 3.839 20 0 GHADHM O=C([N-]Cc1nc2cnccc2s1)C(F)(F)c1ccccc1Br ZINC001177554799 908618533 /nfs/dbraw/zinc/61/85/33/908618533.db2.gz IOVQVZOAXJSGNP-UHFFFAOYSA-N -1 3 398.232 3.862 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H]3CCCOC3)cc2)cc1 ZINC000194966319 908946204 /nfs/dbraw/zinc/94/62/04/908946204.db2.gz QMCNQLHQXITDMH-MRXNPFEDSA-N -1 3 388.489 3.551 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000195229839 908995172 /nfs/dbraw/zinc/99/51/72/908995172.db2.gz QTKVLULBKFFIPM-UHFFFAOYSA-N -1 3 392.531 3.854 20 0 GHADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C(=O)N(C)C(C)C ZINC000195456789 909005441 /nfs/dbraw/zinc/00/54/41/909005441.db2.gz AAXNUQHVYRZLNN-UHFFFAOYSA-N -1 3 382.386 3.602 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000635020325 909103628 /nfs/dbraw/zinc/10/36/28/909103628.db2.gz LMWGDBFQYJJUQH-NZQKXSOJSA-N -1 3 392.455 3.515 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183048 909400236 /nfs/dbraw/zinc/40/02/36/909400236.db2.gz OYUIPKYSNKDYKW-NKWVEPMBSA-N -1 3 397.184 3.775 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183945 909400383 /nfs/dbraw/zinc/40/03/83/909400383.db2.gz YXCCESIZBLPJSA-DTWKUNHWSA-N -1 3 394.319 3.898 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1[O-] ZINC001179351727 909479608 /nfs/dbraw/zinc/47/96/08/909479608.db2.gz HEKQQUXUTGNXQU-KSFYIVLOSA-N -1 3 388.508 3.864 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636287003 909518784 /nfs/dbraw/zinc/51/87/84/909518784.db2.gz RKARDHUJBOPHTR-ZDUSSCGKSA-N -1 3 379.382 3.621 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319702 909539533 /nfs/dbraw/zinc/53/95/33/909539533.db2.gz XDACFBFDCPNUNG-SNVBAGLBSA-N -1 3 396.274 3.840 20 0 GHADHM COc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1OC1CCCC1 ZINC000636319426 909540083 /nfs/dbraw/zinc/54/00/83/909540083.db2.gz REKCEGSMKRKTHM-UHFFFAOYSA-N -1 3 397.475 3.710 20 0 GHADHM CCC[C@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000268144705 909779007 /nfs/dbraw/zinc/77/90/07/909779007.db2.gz UYGJJKWXZLXVPQ-AWEZNQCLSA-N -1 3 383.514 3.501 20 0 GHADHM COC(=O)c1cc(NC(=O)/C(=C/c2ccccc2)C(F)(F)F)c([O-])c(OC)c1 ZINC001179886871 909807202 /nfs/dbraw/zinc/80/72/02/909807202.db2.gz ZMBGQTQFGUQRJW-JYRVWZFOSA-N -1 3 395.333 3.772 20 0 GHADHM O=C(CCOc1cccc(Cl)c1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948648 909823215 /nfs/dbraw/zinc/82/32/15/909823215.db2.gz FUBGOCRGPJERBH-UHFFFAOYSA-N -1 3 399.834 3.828 20 0 GHADHM O=C(CCOc1cccc(Cl)c1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179948648 909823222 /nfs/dbraw/zinc/82/32/22/909823222.db2.gz FUBGOCRGPJERBH-UHFFFAOYSA-N -1 3 399.834 3.828 20 0 GHADHM CCCn1ncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1C1CC1 ZINC001179948911 909824806 /nfs/dbraw/zinc/82/48/06/909824806.db2.gz NAIUIWMCBQSGHD-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM CCCn1ncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1C1CC1 ZINC001179948911 909824816 /nfs/dbraw/zinc/82/48/16/909824816.db2.gz NAIUIWMCBQSGHD-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c([N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000795323815 909857057 /nfs/dbraw/zinc/85/70/57/909857057.db2.gz IVUSBNKVZZRGGK-LBPRGKRZSA-N -1 3 383.457 3.818 20 0 GHADHM CC(C)(C)CCC1(O)CC(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1 ZINC001179955459 909866077 /nfs/dbraw/zinc/86/60/77/909866077.db2.gz VFMIXHYDKOMZEO-UHFFFAOYSA-N -1 3 399.491 3.673 20 0 GHADHM CC(C)(C)CCC1(O)CC(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1 ZINC001179955459 909866081 /nfs/dbraw/zinc/86/60/81/909866081.db2.gz VFMIXHYDKOMZEO-UHFFFAOYSA-N -1 3 399.491 3.673 20 0 GHADHM O=C(CCC(=O)c1cccc(F)c1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179955513 909866823 /nfs/dbraw/zinc/86/68/23/909866823.db2.gz WKKSBLPAPLUFTO-UHFFFAOYSA-N -1 3 395.390 3.507 20 0 GHADHM O=C(CCC(=O)c1cccc(F)c1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179955513 909866831 /nfs/dbraw/zinc/86/68/31/909866831.db2.gz WKKSBLPAPLUFTO-UHFFFAOYSA-N -1 3 395.390 3.507 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)c1 ZINC000268580767 909938025 /nfs/dbraw/zinc/93/80/25/909938025.db2.gz NAKPEAUFYPCJBT-UHFFFAOYSA-N -1 3 380.444 3.679 20 0 GHADHM O=C(CCc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180223027 910023950 /nfs/dbraw/zinc/02/39/50/910023950.db2.gz ZGOCYMMKRQAJRP-KOMQPUFPSA-N -1 3 393.409 3.976 20 0 GHADHM Cc1onc(-c2cccc(F)c2)c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180226273 910025320 /nfs/dbraw/zinc/02/53/20/910025320.db2.gz QGNUVONQCWHFLK-SAZUREKKSA-N -1 3 396.422 3.741 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269686743 910334759 /nfs/dbraw/zinc/33/47/59/910334759.db2.gz NFRVCNQAMPQDRE-OXQOHEQNSA-N -1 3 380.419 3.808 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000901795703 921574063 /nfs/dbraw/zinc/57/40/63/921574063.db2.gz HDNIOSUUGVQIDB-UHFFFAOYSA-N -1 3 394.107 3.730 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000901819580 921592303 /nfs/dbraw/zinc/59/23/03/921592303.db2.gz DICNDVWPTGLDBG-XLIONFOSSA-N -1 3 390.505 3.854 20 0 GHADHM CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)[N-]c3cccnc3Cl)ccc21 ZINC000901821258 921594679 /nfs/dbraw/zinc/59/46/79/921594679.db2.gz JHTPTURGCMMYBV-UHFFFAOYSA-N -1 3 393.896 3.570 20 0 GHADHM COCc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Br)c2)cc1 ZINC000901826365 921605272 /nfs/dbraw/zinc/60/52/72/921605272.db2.gz CMJGUXYVFULNGX-KRWDZBQOSA-N -1 3 394.265 3.520 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1OC ZINC000271303744 910853362 /nfs/dbraw/zinc/85/33/62/910853362.db2.gz WSDWOTZZPVKNSW-CQSZACIVSA-N -1 3 395.525 3.501 20 0 GHADHM COCc1cccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Br)c2)c1 ZINC000901829393 921611904 /nfs/dbraw/zinc/61/19/04/921611904.db2.gz OVOMHLNDWFBVJB-QGZVFWFLSA-N -1 3 394.265 3.520 20 0 GHADHM CCCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C1CC1 ZINC000271331508 910863881 /nfs/dbraw/zinc/86/38/81/910863881.db2.gz VSGDTUUZQJPKBW-UHFFFAOYSA-N -1 3 398.459 3.676 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000271424245 910898967 /nfs/dbraw/zinc/89/89/67/910898967.db2.gz VMFSQPIVPJMMHT-HNNXBMFYSA-N -1 3 380.492 3.524 20 0 GHADHM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640314129 910964778 /nfs/dbraw/zinc/96/47/78/910964778.db2.gz CODYGPKLQMGLGZ-DOMZBBRYSA-N -1 3 377.286 3.610 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN[C@]1(CC(=O)[O-])CCOC1 ZINC000901838848 921623831 /nfs/dbraw/zinc/62/38/31/921623831.db2.gz VVDCPCYSBRXZNL-FQEVSTJZSA-N -1 3 391.899 3.547 20 0 GHADHM COc1cccc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)c1[O-] ZINC000273833199 911042674 /nfs/dbraw/zinc/04/26/74/911042674.db2.gz YJGOFFGAMDXQON-UHFFFAOYSA-N -1 3 396.428 3.629 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ncc([O-])cc1Br ZINC001182147177 911208605 /nfs/dbraw/zinc/20/86/05/911208605.db2.gz RXAUEAZCSHJDJZ-OSAQELSMSA-N -1 3 385.302 3.966 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)on1 ZINC000247814520 911448683 /nfs/dbraw/zinc/44/86/83/911448683.db2.gz BUQQOWDHKYXIDR-UHFFFAOYSA-N -1 3 383.355 3.665 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)on1 ZINC000247814520 911448693 /nfs/dbraw/zinc/44/86/93/911448693.db2.gz BUQQOWDHKYXIDR-UHFFFAOYSA-N -1 3 383.355 3.665 20 0 GHADHM CCc1cccc(C(=O)Nc2nnc3n(Cc4ccc(F)cc4)[nH]c(C)c2-3)c1[O-] ZINC001182366809 911563660 /nfs/dbraw/zinc/56/36/60/911563660.db2.gz IFLWHJNYVBRWNL-UHFFFAOYSA-N -1 3 393.422 3.776 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000283734502 911629174 /nfs/dbraw/zinc/62/91/74/911629174.db2.gz YBKDHAJZGAJPSK-UHFFFAOYSA-N -1 3 399.476 3.562 20 0 GHADHM CCOC(=O)[C@@H](NCc1cc(Cl)c([O-])c(OCC)c1)c1cccc(O)c1 ZINC000284147204 911770324 /nfs/dbraw/zinc/77/03/24/911770324.db2.gz QLEPTIRNBWIGNU-KRWDZBQOSA-N -1 3 379.840 3.544 20 0 GHADHM CN(C)c1nc(Cl)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)s1 ZINC001182525457 911853883 /nfs/dbraw/zinc/85/38/83/911853883.db2.gz OVKPCPAFBYPJRW-UHFFFAOYSA-N -1 3 383.264 3.553 20 0 GHADHM CCCCCCOc1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1OC ZINC000901889484 921700600 /nfs/dbraw/zinc/70/06/00/921700600.db2.gz AEYNQPDAZJFVPR-QGZVFWFLSA-N -1 3 381.538 3.904 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c1 ZINC000642299195 911958113 /nfs/dbraw/zinc/95/81/13/911958113.db2.gz PDPDQDQNFKLFTO-UHFFFAOYSA-N -1 3 380.400 3.636 20 0 GHADHM COc1ccc2c(c1)OCC(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])=C2 ZINC001182657880 911958655 /nfs/dbraw/zinc/95/86/55/911958655.db2.gz RTINCFVCTIWPMP-UHFFFAOYSA-N -1 3 397.427 3.771 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001182700700 911983457 /nfs/dbraw/zinc/98/34/57/911983457.db2.gz YHRHTFZMKZTYLP-CQSZACIVSA-N -1 3 376.453 3.713 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cnc3ccc(Cl)cn23)C[C@H]1c1ccc(Cl)cc1 ZINC000901894702 921708495 /nfs/dbraw/zinc/70/84/95/921708495.db2.gz YZZASKGWGWLWDK-DLBZAZTESA-N -1 3 390.270 3.941 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000642442994 912079031 /nfs/dbraw/zinc/07/90/31/912079031.db2.gz FDTXLAVBDACRTE-GOSISDBHSA-N -1 3 395.532 3.832 20 0 GHADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cnc(Cl)c(Cl)c1 ZINC000795663304 912114357 /nfs/dbraw/zinc/11/43/57/912114357.db2.gz QOFXHXIUUKOHMQ-UHFFFAOYSA-N -1 3 379.652 3.778 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C(C)(C)c1ccc(C(=O)C2CC2)cc1 ZINC001183028586 912203088 /nfs/dbraw/zinc/20/30/88/912203088.db2.gz AFSZOCKLYKKPLN-UHFFFAOYSA-N -1 3 399.418 3.827 20 0 GHADHM CC(C)(CO)[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000646930287 914934588 /nfs/dbraw/zinc/93/45/88/914934588.db2.gz BFQSMMPGBJIDOZ-QGZVFWFLSA-N -1 3 381.394 3.943 20 0 GHADHM CCOCCS(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1C ZINC001187237436 915105349 /nfs/dbraw/zinc/10/53/49/915105349.db2.gz GXYXDVQLFSJXIY-UHFFFAOYSA-N -1 3 379.322 3.811 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c(=O)[n-]1 ZINC000291402418 915158882 /nfs/dbraw/zinc/15/88/82/915158882.db2.gz HZUJICZBNOJAPA-UHFFFAOYSA-N -1 3 390.434 3.639 20 0 GHADHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000291417226 915167686 /nfs/dbraw/zinc/16/76/86/915167686.db2.gz KESIXYOGXWNZDU-LBPRGKRZSA-N -1 3 396.896 3.516 20 0 GHADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC001187354271 915216243 /nfs/dbraw/zinc/21/62/43/915216243.db2.gz WXQSLJQZXCKRAX-KRWDZBQOSA-N -1 3 393.480 3.692 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]CC1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001187409246 915228686 /nfs/dbraw/zinc/22/86/86/915228686.db2.gz JHGKVAYDGIHQQW-UHFFFAOYSA-N -1 3 388.411 3.693 20 0 GHADHM Cc1noc(C)c1COc1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000647800127 915389905 /nfs/dbraw/zinc/38/99/05/915389905.db2.gz NXVYVEVRIUGATI-UHFFFAOYSA-N -1 3 392.415 3.634 20 0 GHADHM COC(=O)c1cccc(-c2cccc(NC(=O)c3[n-]nnc3C(F)(F)F)c2)c1 ZINC001187766229 915513250 /nfs/dbraw/zinc/51/32/50/915513250.db2.gz LKTJWMXWPNBYHX-UHFFFAOYSA-N -1 3 390.321 3.529 20 0 GHADHM COC(=O)c1cccc(-c2cccc(NC(=O)c3nn[n-]c3C(F)(F)F)c2)c1 ZINC001187766229 915513259 /nfs/dbraw/zinc/51/32/59/915513259.db2.gz LKTJWMXWPNBYHX-UHFFFAOYSA-N -1 3 390.321 3.529 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(Cl)nc1Cl ZINC001187987420 915666869 /nfs/dbraw/zinc/66/68/69/915666869.db2.gz GPTOGZHQFUVPNK-ZKCHVHJHSA-N -1 3 377.215 3.788 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(Cl)c1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188084714 915745638 /nfs/dbraw/zinc/74/56/38/915745638.db2.gz OTVMLRJRBOZALI-ZDUSSCGKSA-N -1 3 392.695 3.866 20 0 GHADHM O=S(=O)([N-][C@H]1COc2ccc(Cl)cc21)c1cc(C(F)(F)F)ccc1F ZINC001188104022 915759341 /nfs/dbraw/zinc/75/93/41/915759341.db2.gz ZYORTBGPINQQCN-LBPRGKRZSA-N -1 3 395.761 3.910 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)n1 ZINC001188249585 915825255 /nfs/dbraw/zinc/82/52/55/915825255.db2.gz FPNWAPVYMGWOCJ-ZETCQYMHSA-N -1 3 385.820 3.558 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000902007477 921808557 /nfs/dbraw/zinc/80/85/57/921808557.db2.gz KQCKPPCPFZERLK-WOSRLPQWSA-N -1 3 398.297 3.542 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)[n-]1 ZINC000649227794 916074158 /nfs/dbraw/zinc/07/41/58/916074158.db2.gz NIQJHQOUMYFNMZ-CQSZACIVSA-N -1 3 398.894 3.540 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)cc1[O-] ZINC000649239973 916079644 /nfs/dbraw/zinc/07/96/44/916079644.db2.gz UMKKGJBCZRUYDM-KRWDZBQOSA-N -1 3 377.799 3.601 20 0 GHADHM Cc1cccc(C2(CNC(=O)c3c(C)cccc3[O-])CCC3(CC2)OCCO3)c1 ZINC001188660227 916082853 /nfs/dbraw/zinc/08/28/53/916082853.db2.gz WHFHKCJMJCRCPD-UHFFFAOYSA-N -1 3 395.499 3.994 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)Nc2ccc([O-])c(Br)c2)c1 ZINC001188670609 916134030 /nfs/dbraw/zinc/13/40/30/916134030.db2.gz ZZOMSXCPVWLAQL-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM Cc1ccncc1S(=O)(=O)[N-][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000649627952 916274613 /nfs/dbraw/zinc/27/46/13/916274613.db2.gz POQGZKJMNBBZNJ-URLYPYJESA-N -1 3 390.349 3.578 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)ccc2c1OCCO2 ZINC001188902077 916288414 /nfs/dbraw/zinc/28/84/14/916288414.db2.gz LZXIBHAVBASJJD-UHFFFAOYSA-N -1 3 398.440 3.754 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cccc([O-])c1Br ZINC001189111045 916385254 /nfs/dbraw/zinc/38/52/54/916385254.db2.gz XOMDHLCBSAEROP-UHFFFAOYSA-N -1 3 390.686 3.793 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC001189072112 916388071 /nfs/dbraw/zinc/38/80/71/916388071.db2.gz NNXGDYNJQJANOI-HZPDHXFCSA-N -1 3 393.908 3.827 20 0 GHADHM O=C(c1cccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1)N1CCCCC1 ZINC001189454863 916659244 /nfs/dbraw/zinc/65/92/44/916659244.db2.gz UERASTLLNFBBOB-UHFFFAOYSA-N -1 3 394.443 3.533 20 0 GHADHM O=C([N-][C@H](c1nccs1)C(F)(F)F)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000650057600 916686077 /nfs/dbraw/zinc/68/60/77/916686077.db2.gz WIMHKJBUUGVAGR-HRDYMLBCSA-N -1 3 376.322 3.610 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cc(Cl)cc1C)c1ccc(C)c(C)c1 ZINC001189532240 916728181 /nfs/dbraw/zinc/72/81/81/916728181.db2.gz MSJFRHUEXPIQDL-KRWDZBQOSA-N -1 3 395.908 3.766 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3nsnc3cc2Cl)c1 ZINC001189609006 916773661 /nfs/dbraw/zinc/77/36/61/916773661.db2.gz GCJMNLLHINLQGH-UHFFFAOYSA-N -1 3 390.273 3.808 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)c(F)cc1F ZINC001189654999 916815097 /nfs/dbraw/zinc/81/50/97/916815097.db2.gz CNICWUYDKVQKBN-MRXNPFEDSA-N -1 3 388.867 3.508 20 0 GHADHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001189795022 916929436 /nfs/dbraw/zinc/92/94/36/916929436.db2.gz ORDUCTLAIGLLCQ-UHFFFAOYSA-N -1 3 394.468 3.594 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000650504006 917038305 /nfs/dbraw/zinc/03/83/05/917038305.db2.gz MLTDFLGZNCLVQX-NRFANRHFSA-N -1 3 394.515 3.654 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1F ZINC001189981980 917041503 /nfs/dbraw/zinc/04/15/03/917041503.db2.gz KBHNTKFOMIGIHJ-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2N(C)CCCC2(C)C)c1Cl ZINC001189996560 917054505 /nfs/dbraw/zinc/05/45/05/917054505.db2.gz AWZUZPRYERWEEY-ZDUSSCGKSA-N -1 3 379.353 3.701 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)cc(Cl)c2)ccc1F ZINC001190117656 917139651 /nfs/dbraw/zinc/13/96/51/917139651.db2.gz FEFWYUVLJWQMJE-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ncc(F)cc1F)c1ccc(Cl)cc1Cl ZINC001190207802 917198842 /nfs/dbraw/zinc/19/88/42/917198842.db2.gz XJVJARWIEGNGBD-UHFFFAOYSA-N -1 3 381.231 3.880 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3ccc(-c4ccccc4)cc3C2)c(=O)[n-]1 ZINC000295361627 917286340 /nfs/dbraw/zinc/28/63/40/917286340.db2.gz HGOZNAQSXLIGBE-UHFFFAOYSA-N -1 3 387.483 3.984 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(Br)cc1 ZINC001190402484 917302436 /nfs/dbraw/zinc/30/24/36/917302436.db2.gz BUNLPSOLGUZKKS-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001190465507 917362157 /nfs/dbraw/zinc/36/21/57/917362157.db2.gz NFQHLFKOHWTCKH-SNVBAGLBSA-N -1 3 381.723 3.911 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC)cc1Cl ZINC001190576456 917419796 /nfs/dbraw/zinc/41/97/96/917419796.db2.gz WTTNXJVQCOMNMY-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1cc(OC(F)(F)F)ccc1F ZINC001190658912 917449561 /nfs/dbraw/zinc/44/95/61/917449561.db2.gz ZUQMRCLFTZLMHA-UHFFFAOYSA-N -1 3 386.124 3.591 20 0 GHADHM CCOc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1C(F)(F)F ZINC001190648908 917478169 /nfs/dbraw/zinc/47/81/69/917478169.db2.gz CBCOWJOFAGHOAN-UHFFFAOYSA-N -1 3 393.321 3.711 20 0 GHADHM CCOC(=O)c1cnoc1[N-]C(=O)Nc1cc(Br)ccc1Cl ZINC001190851485 917601447 /nfs/dbraw/zinc/60/14/47/917601447.db2.gz CRBSIGQFLDKZQV-UHFFFAOYSA-N -1 3 388.605 3.911 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910712 917659500 /nfs/dbraw/zinc/65/95/00/917659500.db2.gz WOLSLTPRIIEIES-YUTCNCBUSA-N -1 3 380.872 3.556 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(OC(F)(F)F)cc12)c1ccc(=O)[n-]c1Cl ZINC001190918333 917661706 /nfs/dbraw/zinc/66/17/06/917661706.db2.gz QHVLZTLJKLVPEA-UHFFFAOYSA-N -1 3 399.756 3.793 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000652459977 917903222 /nfs/dbraw/zinc/90/32/22/917903222.db2.gz XXRLYAXLVIDUNL-HNNXBMFYSA-N -1 3 384.259 3.563 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000296157430 917919282 /nfs/dbraw/zinc/91/92/82/917919282.db2.gz ANNPVPGVWUCCMJ-UHFFFAOYSA-N -1 3 390.292 3.865 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000296157430 917919289 /nfs/dbraw/zinc/91/92/89/917919289.db2.gz ANNPVPGVWUCCMJ-UHFFFAOYSA-N -1 3 390.292 3.865 20 0 GHADHM CCOP(=O)(OCC)c1ccc([N-]S(=O)(=O)CC2CCCC2)cc1 ZINC001191529291 918046663 /nfs/dbraw/zinc/04/66/63/918046663.db2.gz FXRRLOGGRUZMSX-UHFFFAOYSA-N -1 3 375.427 3.510 20 0 GHADHM COc1cc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1[O-] ZINC000652986058 918076885 /nfs/dbraw/zinc/07/68/85/918076885.db2.gz ATRCLGUZTALXKH-UHFFFAOYSA-N -1 3 381.350 3.847 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000296438714 918270928 /nfs/dbraw/zinc/27/09/28/918270928.db2.gz UKLHXVANXFOVLQ-UHFFFAOYSA-N -1 3 375.372 3.653 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000296438714 918270943 /nfs/dbraw/zinc/27/09/43/918270943.db2.gz UKLHXVANXFOVLQ-UHFFFAOYSA-N -1 3 375.372 3.653 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC001192081328 918377666 /nfs/dbraw/zinc/37/76/66/918377666.db2.gz LBEAZHFLDDFOCG-UHFFFAOYSA-N -1 3 382.347 3.758 20 0 GHADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1nccn2c(Br)cnc12 ZINC000775502655 918454793 /nfs/dbraw/zinc/45/47/93/918454793.db2.gz YDPVHWKYXVHPLJ-UHFFFAOYSA-N -1 3 387.571 3.676 20 0 GHADHM O=S(=O)([N-]c1cccnc1F)c1cc(C(F)(F)F)ccc1Br ZINC001192179635 918527552 /nfs/dbraw/zinc/52/75/52/918527552.db2.gz FQJUVAMJKMVHAZ-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](OC4CCC4)C3)cc2)cc(=O)[n-]1 ZINC000653945966 918613532 /nfs/dbraw/zinc/61/35/32/918613532.db2.gz OLRKYXMNIAQUHV-SFHVURJKSA-N -1 3 382.464 3.723 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N(C)C(C)C)c2)cc1 ZINC000296724062 918643724 /nfs/dbraw/zinc/64/37/24/918643724.db2.gz FTJNOYPMRFCWMN-UHFFFAOYSA-N -1 3 391.493 3.677 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654690525 919293601 /nfs/dbraw/zinc/29/36/01/919293601.db2.gz ZPHGPHUHFGEBLR-UHFFFAOYSA-N -1 3 396.422 3.559 20 0 GHADHM O=C([N-]NC(=O)c1c[nH]c2ccccc12)c1cc(Br)ccc1Cl ZINC000017523384 919504935 /nfs/dbraw/zinc/50/49/35/919504935.db2.gz CBBHAULGRATQIF-UHFFFAOYSA-N -1 3 392.640 3.659 20 0 GHADHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000119358874 919622096 /nfs/dbraw/zinc/62/20/96/919622096.db2.gz UMEIMRRBTNWEJM-PMACEKPBSA-N -1 3 392.499 3.649 20 0 GHADHM Cc1cc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)cnc1F ZINC000900047830 919771563 /nfs/dbraw/zinc/77/15/63/919771563.db2.gz VYEVBAVOZFIXCN-OAHLLOKOSA-N -1 3 381.245 3.987 20 0 GHADHM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NCc1cc(Cl)ccc1F ZINC000900057401 919782266 /nfs/dbraw/zinc/78/22/66/919782266.db2.gz LCXIFRDWPSZGQQ-KRWDZBQOSA-N -1 3 379.815 3.546 20 0 GHADHM CO[C@H](C)[C@H](NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000900059171 919783948 /nfs/dbraw/zinc/78/39/48/919783948.db2.gz IRZYYNVRLHTOOB-QGHHPUGFSA-N -1 3 385.794 3.988 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900061789 919786791 /nfs/dbraw/zinc/78/67/91/919786791.db2.gz WYWKXVMZZDQRHE-UHFFFAOYSA-N -1 3 398.644 3.736 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000800257204 919795150 /nfs/dbraw/zinc/79/51/50/919795150.db2.gz DTIXQSUQGXFRGH-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000800257204 919795176 /nfs/dbraw/zinc/79/51/76/919795176.db2.gz DTIXQSUQGXFRGH-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800257204 919795183 /nfs/dbraw/zinc/79/51/83/919795183.db2.gz DTIXQSUQGXFRGH-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C([O-])[C@H](CNCc1ncc(Br)cc1Cl)CC1CCCC1 ZINC000900083800 919823320 /nfs/dbraw/zinc/82/33/20/919823320.db2.gz LGHFSJJZIDUWSR-NSHDSACASA-N -1 3 375.694 3.868 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCC(F)(F)C3)cc21 ZINC000800941146 920628848 /nfs/dbraw/zinc/62/88/48/920628848.db2.gz AMNNSVRHOCWQMU-SNVBAGLBSA-N -1 3 377.840 3.573 20 0 GHADHM CON(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)CC1CCOCC1 ZINC000298543092 920648480 /nfs/dbraw/zinc/64/84/80/920648480.db2.gz NJUYNZHJEFAQQD-UHFFFAOYSA-N -1 3 385.489 3.854 20 0 GHADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000298771761 920909523 /nfs/dbraw/zinc/90/95/23/920909523.db2.gz RXGOUBAQTMYIFO-UHFFFAOYSA-N -1 3 399.393 3.872 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3csc(C(=O)[O-])c3)C2)cc1 ZINC000901428299 921097223 /nfs/dbraw/zinc/09/72/23/921097223.db2.gz JRHPFVULNVVMLO-HNNXBMFYSA-N -1 3 387.505 3.788 20 0 GHADHM COc1ccc(OCCN(C)Cc2ccc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC000902072234 921853416 /nfs/dbraw/zinc/85/34/16/921853416.db2.gz ODAPBTIJCJNGAS-UHFFFAOYSA-N -1 3 383.366 3.923 20 0 GHADHM CCOCc1ccc(CNCc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000902109135 921882917 /nfs/dbraw/zinc/88/29/17/921882917.db2.gz HDUMOVDRUZBLHE-UHFFFAOYSA-N -1 3 378.266 3.974 20 0 GHADHM COc1cc([C@H](C)NCc2ccnc3c(C(=O)[O-])cccc23)cc(OC)c1OC ZINC000902117796 921893557 /nfs/dbraw/zinc/89/35/57/921893557.db2.gz WKBAMEYGVDZBTL-ZDUSSCGKSA-N -1 3 396.443 3.810 20 0 GHADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000367345211 922052635 /nfs/dbraw/zinc/05/26/35/922052635.db2.gz FUBRXRRJGQFECJ-UHFFFAOYSA-N -1 3 376.391 3.926 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)n1 ZINC000902353311 922114844 /nfs/dbraw/zinc/11/48/44/922114844.db2.gz BBUACYJCUWYYBE-KRWDZBQOSA-N -1 3 379.460 3.631 20 0 GHADHM CN1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000902426777 922186328 /nfs/dbraw/zinc/18/63/28/922186328.db2.gz CLZOSEQARGERNZ-SJLPKXTDSA-N -1 3 393.270 3.753 20 0 GHADHM Cc1cc(CN2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cc(C)c1OCC(=O)[O-] ZINC000902455674 922207915 /nfs/dbraw/zinc/20/79/15/922207915.db2.gz MEPMUNCSKXNRAU-FHJLPGHOSA-N -1 3 387.520 3.936 20 0 GHADHM COc1cccc([C@]2(C)CCN(Cc3cn(-c4ccccc4)nc3C(=O)[O-])C2)c1 ZINC000902481826 922229285 /nfs/dbraw/zinc/22/92/85/922229285.db2.gz SMPVGHIBJVRUJW-HSZRJFAPSA-N -1 3 391.471 3.743 20 0 GHADHM Cc1nc(CC2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)no1 ZINC000902568319 922306555 /nfs/dbraw/zinc/30/65/55/922306555.db2.gz VCGRGFNHAKYAGL-UHFFFAOYSA-N -1 3 381.432 3.791 20 0 GHADHM O=C(O[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803280495 922851349 /nfs/dbraw/zinc/85/13/49/922851349.db2.gz YZLQWEVLJUVXCK-PKOBYXMFSA-N -1 3 385.847 3.881 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cs2)c(OC)c1 ZINC000903610911 923125575 /nfs/dbraw/zinc/12/55/75/923125575.db2.gz FFSOKYYEAQNMHO-RBZFPXEDSA-N -1 3 388.489 3.514 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4ncc(C)s4)CC3)nc2)n1 ZINC000369341615 923288673 /nfs/dbraw/zinc/28/86/73/923288673.db2.gz DSUJCTSVNFXJRM-UHFFFAOYSA-N -1 3 381.505 3.956 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000903921357 923400397 /nfs/dbraw/zinc/40/03/97/923400397.db2.gz JWFFBTKZIXMNHU-UHFFFAOYSA-N -1 3 385.304 3.857 20 0 GHADHM O=C([O-])c1cccc(Cl)c1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903944024 923421363 /nfs/dbraw/zinc/42/13/63/923421363.db2.gz HIXDTXWXWPQVPO-JTQLQIEISA-N -1 3 385.773 3.837 20 0 GHADHM Cc1nc(CCCNCc2c(Cl)nc3cc(Cl)ccn32)sc1C(=O)[O-] ZINC000903988234 923451695 /nfs/dbraw/zinc/45/16/95/923451695.db2.gz BAABCLAFELNFKB-UHFFFAOYSA-N -1 3 399.303 3.827 20 0 GHADHM COCCCn1c(C)cc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000748473720 923660303 /nfs/dbraw/zinc/66/03/03/923660303.db2.gz CADNPGWJGKVTSY-UHFFFAOYSA-N -1 3 397.830 3.679 20 0 GHADHM CCOC(=O)N1[C@@H](C(=O)Nc2cc(F)ccc2[O-])CC[C@H]1c1ccc(C)o1 ZINC000748859631 923867941 /nfs/dbraw/zinc/86/79/41/923867941.db2.gz YBYNHFPEUKZSEL-LSDHHAIUSA-N -1 3 376.384 3.733 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000749158689 924054303 /nfs/dbraw/zinc/05/43/03/924054303.db2.gz XCVPKXBQDZOXQG-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000676895053 924133539 /nfs/dbraw/zinc/13/35/39/924133539.db2.gz OPNJVSJAQAIZSI-UHFFFAOYSA-N -1 3 394.306 3.603 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(Cl)cc2Br)c1 ZINC001254695327 924328640 /nfs/dbraw/zinc/32/86/40/924328640.db2.gz ANVMGVRJRJOEJO-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2cc(F)ccc12)c1cnc(Cl)c(Cl)c1 ZINC000749185849 924453319 /nfs/dbraw/zinc/45/33/19/924453319.db2.gz ZXWPSPLNJZWHFW-UHFFFAOYSA-N -1 3 388.251 3.530 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)o1 ZINC000749184059 924461148 /nfs/dbraw/zinc/46/11/48/924461148.db2.gz YAHJXTNXDZROBB-KRWDZBQOSA-N -1 3 393.505 3.737 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000678325696 924724829 /nfs/dbraw/zinc/72/48/29/924724829.db2.gz STRBBQNBZCCVCP-HXUWFJFHSA-N -1 3 391.471 3.537 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c(=O)[n-]1 ZINC000409560733 924763366 /nfs/dbraw/zinc/76/33/66/924763366.db2.gz CKKKDRWWDFBYEI-UHFFFAOYSA-N -1 3 390.443 3.541 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(Cl)ccc(F)c2Cl)CC1 ZINC001137358929 924997238 /nfs/dbraw/zinc/99/72/38/924997238.db2.gz GKPGWPDUGHPFPL-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000409888216 925106419 /nfs/dbraw/zinc/10/64/19/925106419.db2.gz QWWORHNKOOMPKR-UHFFFAOYSA-N -1 3 375.334 3.948 20 0 GHADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(F)ccc1Br ZINC000409899027 925117852 /nfs/dbraw/zinc/11/78/52/925117852.db2.gz HJHDORXBYVWNBJ-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c1 ZINC000827291925 925199352 /nfs/dbraw/zinc/19/93/52/925199352.db2.gz NLCWFHLNKNSZNL-LBPRGKRZSA-N -1 3 392.550 3.595 20 0 GHADHM Cc1noc(C)c1N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679635799 925204046 /nfs/dbraw/zinc/20/40/46/925204046.db2.gz NLDIJBCVCRMSSS-LJQANCHMSA-N -1 3 393.443 3.521 20 0 GHADHM CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1ccc([O-])c(F)c1 ZINC000827337364 925302471 /nfs/dbraw/zinc/30/24/71/925302471.db2.gz VUUQYNGFXNXRDY-MQVJKMGUSA-N -1 3 392.471 3.511 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001137422769 925615406 /nfs/dbraw/zinc/61/54/06/925615406.db2.gz IKTYSOMGTUWQPN-IBGZPJMESA-N -1 3 382.504 3.690 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1Br ZINC000680809855 925617420 /nfs/dbraw/zinc/61/74/20/925617420.db2.gz SEQAGRIRFWAUBT-UHFFFAOYSA-N -1 3 386.267 3.581 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1ccc2c(c1)OCCO2 ZINC000410419489 925636128 /nfs/dbraw/zinc/63/61/28/925636128.db2.gz DKQYWJLWFONJAZ-UHFFFAOYSA-N -1 3 378.208 3.705 20 0 GHADHM CN(CCC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1)C(=O)OC(C)(C)C ZINC000827702686 925931575 /nfs/dbraw/zinc/93/15/75/925931575.db2.gz URDHPMSHSZRMPE-UHFFFAOYSA-N -1 3 394.487 3.569 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000827918755 926280439 /nfs/dbraw/zinc/28/04/39/926280439.db2.gz YSINMMKSNPSYOA-HXUWFJFHSA-N -1 3 391.874 3.758 20 0 GHADHM O=C(CCCn1cnc2ccccc21)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000683050074 926338943 /nfs/dbraw/zinc/33/89/43/926338943.db2.gz SAXZWAXJOFESON-UHFFFAOYSA-N -1 3 386.415 3.987 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(F)cc(F)c(F)c3F)nc2)n1 ZINC000373764234 926402343 /nfs/dbraw/zinc/40/23/43/926402343.db2.gz BUWGJCFIYMRNMN-UHFFFAOYSA-N -1 3 378.329 3.975 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)cc1OC ZINC000411526363 926478515 /nfs/dbraw/zinc/47/85/15/926478515.db2.gz CBHRNMOXOBVCII-UZLBHIALSA-N -1 3 388.489 3.589 20 0 GHADHM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000725889772 926481416 /nfs/dbraw/zinc/48/14/16/926481416.db2.gz KPWLEMQKSBCYQI-KRWDZBQOSA-N -1 3 376.840 3.935 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(C)c4ccc(F)cc34)cc2)n1 ZINC000373974275 926610819 /nfs/dbraw/zinc/61/08/19/926610819.db2.gz DBHHRAFXQNOZFO-UHFFFAOYSA-N -1 3 376.391 3.628 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000374101810 926762636 /nfs/dbraw/zinc/76/26/36/926762636.db2.gz MGZXSAANJPAELM-UHFFFAOYSA-N -1 3 375.403 3.737 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000412384365 927395937 /nfs/dbraw/zinc/39/59/37/927395937.db2.gz PFHCAPYDBDFHMQ-AWEZNQCLSA-N -1 3 376.859 3.779 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F)c1nccs1 ZINC000750162558 927457518 /nfs/dbraw/zinc/45/75/18/927457518.db2.gz GLXNFANJMSGFSS-NSHDSACASA-N -1 3 385.873 3.913 20 0 GHADHM C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000750218366 927494624 /nfs/dbraw/zinc/49/46/24/927494624.db2.gz UFGIALXBCCHGAJ-VIFPVBQESA-N -1 3 394.301 3.638 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(OC[C@H]2CCOC2)CC1 ZINC000374921778 927703383 /nfs/dbraw/zinc/70/33/83/927703383.db2.gz VPIUKXPQUGVKNP-KRWDZBQOSA-N -1 3 397.471 3.842 20 0 GHADHM Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c2c1 ZINC000750712501 927809016 /nfs/dbraw/zinc/80/90/16/927809016.db2.gz DQQOSRWRXPNCNR-UHFFFAOYSA-N -1 3 396.450 3.904 20 0 GHADHM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000412785680 927842494 /nfs/dbraw/zinc/84/24/94/927842494.db2.gz UAEYOICCRHSZPM-AWEZNQCLSA-N -1 3 390.480 3.887 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000751427103 928186202 /nfs/dbraw/zinc/18/62/02/928186202.db2.gz JUCMSXHOIZNMMT-ZDUSSCGKSA-N -1 3 380.680 3.659 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2F)c1Cl ZINC000751430140 928188367 /nfs/dbraw/zinc/18/83/67/928188367.db2.gz KSEFEYBPOCFWSF-GFCCVEGCSA-N -1 3 396.242 3.592 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1c(F)cccc1Cl ZINC000751472816 928209667 /nfs/dbraw/zinc/20/96/67/928209667.db2.gz FMZGAGKUSWYKQF-AYVTZFPOSA-N -1 3 396.242 3.672 20 0 GHADHM CC(=O)N(c1nc(COC(=O)c2cc(F)cc(Cl)c2[O-])cs1)C1CC1 ZINC000751729136 928351892 /nfs/dbraw/zinc/35/18/92/928351892.db2.gz APMPLMLPQJCYRP-UHFFFAOYSA-N -1 3 384.816 3.514 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000752428646 928821951 /nfs/dbraw/zinc/82/19/51/928821951.db2.gz RMVNXKNMYDMLFB-LBPRGKRZSA-N -1 3 375.350 3.769 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1noc(Cc2ccccc2)n1 ZINC000752444386 928826051 /nfs/dbraw/zinc/82/60/51/928826051.db2.gz PBWPBVKRWGYSCU-LBPRGKRZSA-N -1 3 375.350 3.769 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c(=O)[n-]1 ZINC000544275027 929008637 /nfs/dbraw/zinc/00/86/37/929008637.db2.gz XDPLPHOUSQRDNL-UHFFFAOYSA-N -1 3 389.415 3.544 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000752973302 929131725 /nfs/dbraw/zinc/13/17/25/929131725.db2.gz FFVWWSVONOVNTB-UHFFFAOYSA-N -1 3 386.411 3.972 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000752973302 929131732 /nfs/dbraw/zinc/13/17/32/929131732.db2.gz FFVWWSVONOVNTB-UHFFFAOYSA-N -1 3 386.411 3.972 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467708408 929322684 /nfs/dbraw/zinc/32/26/84/929322684.db2.gz FGFQKCNYTMNMML-UHFFFAOYSA-N -1 3 380.354 3.993 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCOCC2)c(F)cc1F ZINC000753371694 929322752 /nfs/dbraw/zinc/32/27/52/929322752.db2.gz VWNJNEZXEAQGNK-IBGZPJMESA-N -1 3 381.444 3.719 20 0 GHADHM COc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)ccc1OC(F)F ZINC000467709618 929324150 /nfs/dbraw/zinc/32/41/50/929324150.db2.gz XYKJTXCBANDEQH-UHFFFAOYSA-N -1 3 395.312 3.639 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c(F)cccc1Br ZINC000467713058 929327944 /nfs/dbraw/zinc/32/79/44/929327944.db2.gz KSQRQEZNWNYBKL-UHFFFAOYSA-N -1 3 396.166 3.931 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)c1Cl ZINC000467797984 929433247 /nfs/dbraw/zinc/43/32/47/929433247.db2.gz WSHSBFPITLZLMZ-KGLIPLIRSA-N -1 3 388.320 3.961 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000467799811 929437203 /nfs/dbraw/zinc/43/72/03/929437203.db2.gz QMFLYAOKZPCKDJ-YJBOKZPZSA-N -1 3 383.872 3.986 20 0 GHADHM COc1ccc(NC(=O)NCc2ncccc2[O-])cc1NC(=O)C1CCCCC1 ZINC000467918455 929590050 /nfs/dbraw/zinc/59/00/50/929590050.db2.gz FQJOCDXMNNXZOB-UHFFFAOYSA-N -1 3 398.463 3.636 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCNc1ncc(Cl)cc1Cl ZINC000469148782 929632498 /nfs/dbraw/zinc/63/24/98/929632498.db2.gz XBOJUBLELQIGJV-UHFFFAOYSA-N -1 3 386.254 3.784 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)cc2)cc(=O)[n-]1 ZINC000545913501 929668968 /nfs/dbraw/zinc/66/89/68/929668968.db2.gz FFRLQDVOLAQQSB-MSOLQXFVSA-N -1 3 384.480 3.871 20 0 GHADHM O=C(CCC(=O)c1ccc(Cl)cn1)Nc1ccc(Br)cc1[O-] ZINC000546009624 929769228 /nfs/dbraw/zinc/76/92/28/929769228.db2.gz ROHFGWXDQRHGLN-UHFFFAOYSA-N -1 3 383.629 3.805 20 0 GHADHM O=C(NC1CC(c2ccccc2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000546009109 929769335 /nfs/dbraw/zinc/76/93/35/929769335.db2.gz ZNOSLFRBEDAXGU-UHFFFAOYSA-N -1 3 397.272 3.967 20 0 GHADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757724141 929783119 /nfs/dbraw/zinc/78/31/19/929783119.db2.gz AJLCZIZGRBUSGJ-CQSZACIVSA-N -1 3 397.228 3.804 20 0 GHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000469393505 929844558 /nfs/dbraw/zinc/84/45/58/929844558.db2.gz OCBYZRULEIRIAO-VBKZILBWSA-N -1 3 375.415 3.982 20 0 GHADHM Cc1ccc(NC(=O)N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000469410931 929860527 /nfs/dbraw/zinc/86/05/27/929860527.db2.gz YOSZGZRAVKCLSQ-UHFFFAOYSA-N -1 3 399.466 3.539 20 0 GHADHM COc1cccc(-c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)c1[O-] ZINC000758285706 930001841 /nfs/dbraw/zinc/00/18/41/930001841.db2.gz NTSRZSLVTJITEP-UHFFFAOYSA-N -1 3 375.425 3.745 20 0 GHADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccc(F)cn1 ZINC000469584706 930006223 /nfs/dbraw/zinc/00/62/23/930006223.db2.gz JWBMKAFXJVVZBR-UHFFFAOYSA-N -1 3 385.464 3.654 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nc(Cl)ccc3N)nc(=O)c2c1C ZINC000758463121 930054007 /nfs/dbraw/zinc/05/40/07/930054007.db2.gz VQZDVTGIBIRBKS-SSDOTTSWSA-N -1 3 378.841 3.562 20 0 GHADHM CC1(C)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469707540 930099850 /nfs/dbraw/zinc/09/98/50/930099850.db2.gz KCNJZMULAOPUBD-UHFFFAOYSA-N -1 3 383.673 3.816 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000469795239 930166406 /nfs/dbraw/zinc/16/64/06/930166406.db2.gz ARJKUIBGHKEMQO-UHFFFAOYSA-N -1 3 399.388 3.933 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000469822457 930184786 /nfs/dbraw/zinc/18/47/86/930184786.db2.gz QYYXLVCQCVXDNJ-XLIONFOSSA-N -1 3 379.378 3.779 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000546773375 930421271 /nfs/dbraw/zinc/42/12/71/930421271.db2.gz PPYZXJHDSYHULJ-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000546773375 930421276 /nfs/dbraw/zinc/42/12/76/930421276.db2.gz PPYZXJHDSYHULJ-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000759606175 930423103 /nfs/dbraw/zinc/42/31/03/930423103.db2.gz UKCNIFZTFHVVMZ-ZDUSSCGKSA-N -1 3 398.488 3.999 20 0 GHADHM CN(CC(=O)Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)cc1C=O ZINC000759656159 930441117 /nfs/dbraw/zinc/44/11/17/930441117.db2.gz VAYMFHIVPWKFNX-UHFFFAOYSA-N -1 3 386.757 3.952 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000780589422 930554483 /nfs/dbraw/zinc/55/44/83/930554483.db2.gz KXPPBIBYLFUEOW-RLLQIKCJSA-N -1 3 398.528 3.654 20 0 GHADHM COc1ccc(-c2ccc(C(=O)[N-]N3CCc4ccccc4C3=O)c(F)c2)cc1 ZINC000780721925 930585241 /nfs/dbraw/zinc/58/52/41/930585241.db2.gz ZHTVWCFLFABZRS-UHFFFAOYSA-N -1 3 390.414 3.845 20 0 GHADHM CCCCOc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1OC ZINC000780850161 930616262 /nfs/dbraw/zinc/61/62/62/930616262.db2.gz AOTGMHZWNYLFJO-UHFFFAOYSA-N -1 3 398.415 3.987 20 0 GHADHM O=C(CCc1nc2ccccc2o1)[N-]OCc1ccc(F)cc1Br ZINC000781122903 930708047 /nfs/dbraw/zinc/70/80/47/930708047.db2.gz RYORIRXYOLDFMT-UHFFFAOYSA-N -1 3 393.212 3.910 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000782060192 931077522 /nfs/dbraw/zinc/07/75/22/931077522.db2.gz AYIDRGJOQRIVIK-OAHLLOKOSA-N -1 3 390.821 3.775 20 0 GHADHM Cc1nc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)sc1Cc1ccc(C)cc1 ZINC000557400650 931403237 /nfs/dbraw/zinc/40/32/37/931403237.db2.gz AJHISFWBKQWAOI-GFCCVEGCSA-N -1 3 383.395 3.728 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccccc1Oc1cccnc1 ZINC000783314610 931517907 /nfs/dbraw/zinc/51/79/07/931517907.db2.gz CNPZEWDZEOGTPW-UHFFFAOYSA-N -1 3 389.367 3.987 20 0 GHADHM COc1cc(C2(C(=O)OCc3noc(-c4ccccc4[O-])n3)CCC2)ccc1C ZINC000783336970 931522532 /nfs/dbraw/zinc/52/25/32/931522532.db2.gz QUNLZNZUQKKPIO-UHFFFAOYSA-N -1 3 394.427 3.924 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783377035 931529311 /nfs/dbraw/zinc/52/93/11/931529311.db2.gz YEOVTBVLMQDHAJ-UHFFFAOYSA-N -1 3 377.356 3.763 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(-n2cccc2)c(F)c1 ZINC000783495398 931563046 /nfs/dbraw/zinc/56/30/46/931563046.db2.gz BUOHYVCKDRSKTN-UHFFFAOYSA-N -1 3 379.347 3.729 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000697591097 931687019 /nfs/dbraw/zinc/68/70/19/931687019.db2.gz IOFWOWOUHRYXCF-JTQLQIEISA-N -1 3 398.916 3.773 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1c(F)cccc1OC(F)(F)F ZINC000557814524 931701563 /nfs/dbraw/zinc/70/15/63/931701563.db2.gz MFWFLDITGFYWEC-ZDUSSCGKSA-N -1 3 393.333 3.829 20 0 GHADHM COc1cc2c(cc1NC(=O)N1CCc3c(nc[n-]c3=O)C1)oc1ccccc12 ZINC000783925532 931718347 /nfs/dbraw/zinc/71/83/47/931718347.db2.gz WMUUIHOCCVRXKY-UHFFFAOYSA-N -1 3 390.399 3.680 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000783942527 931725539 /nfs/dbraw/zinc/72/55/39/931725539.db2.gz GCCZHTBTRGOJDA-VGSWGCGISA-N -1 3 376.412 3.780 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(Br)ccc1C(F)(F)F ZINC000784359201 931867672 /nfs/dbraw/zinc/86/76/72/931867672.db2.gz MODNQGALOMHLLV-UHFFFAOYSA-N -1 3 399.188 3.576 20 0 GHADHM Cc1ncccc1Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000558387414 931972732 /nfs/dbraw/zinc/97/27/32/931972732.db2.gz IVRXQDXSXVMIOZ-UHFFFAOYSA-N -1 3 397.236 3.578 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1nc(Cc2cccc(F)c2)no1 ZINC000784893313 932019578 /nfs/dbraw/zinc/01/95/78/932019578.db2.gz KVJACODRWJSTGU-UHFFFAOYSA-N -1 3 388.370 3.710 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1Br ZINC000797443512 932287483 /nfs/dbraw/zinc/28/74/83/932287483.db2.gz YQKNRXILSCRSGU-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cnc(Cl)c(Cl)c1 ZINC000797841374 932427140 /nfs/dbraw/zinc/42/71/40/932427140.db2.gz RXYIRZGLLJMPPF-MGCOHNPYSA-N -1 3 375.252 3.752 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C(F)=C\C2CCCCC2)cc1OC ZINC000798163915 932549237 /nfs/dbraw/zinc/54/92/37/932549237.db2.gz ONNUEKJAKKTMDF-RVDMUPIBSA-N -1 3 384.473 3.829 20 0 GHADHM COc1ccc(N[C@H](Cc2ccc(F)cc2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000777626621 932590629 /nfs/dbraw/zinc/59/06/29/932590629.db2.gz WBBHPCPWQJGFPK-QGZVFWFLSA-N -1 3 380.485 3.885 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000777630295 932612832 /nfs/dbraw/zinc/61/28/32/932612832.db2.gz OSVGHCQHWLYCAV-UHFFFAOYSA-N -1 3 399.428 3.853 20 0 GHADHM CC(C)CC(CC(C)C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798404666 932633478 /nfs/dbraw/zinc/63/34/78/932633478.db2.gz RFINJLPOHYNCSO-UHFFFAOYSA-N -1 3 379.467 3.547 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000559627515 932761929 /nfs/dbraw/zinc/76/19/29/932761929.db2.gz RZIXRTWYWVTDRC-IBGZPJMESA-N -1 3 387.863 3.825 20 0 GHADHM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023195 932854189 /nfs/dbraw/zinc/85/41/89/932854189.db2.gz YETAQFUHRTVLKP-BENRWUELSA-N -1 3 388.817 3.660 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1F ZINC000799126565 932883076 /nfs/dbraw/zinc/88/30/76/932883076.db2.gz FVCBRHBBDZYERK-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc2)n1 ZINC000559994513 933003336 /nfs/dbraw/zinc/00/33/36/933003336.db2.gz UGKAOZVZRWWDGI-UHFFFAOYSA-N -1 3 397.378 3.722 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000626393758 933231303 /nfs/dbraw/zinc/23/13/03/933231303.db2.gz FSDYGQBSJKIRLA-MRXNPFEDSA-N -1 3 396.491 3.572 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c1[O-] ZINC000560551731 933336710 /nfs/dbraw/zinc/33/67/10/933336710.db2.gz FNDSLMOCQNHTCW-NSHDSACASA-N -1 3 378.222 3.763 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccc(F)cc1F ZINC001116263079 933443988 /nfs/dbraw/zinc/44/39/88/933443988.db2.gz VDIXYGOKSHOREO-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM Cc1ccccc1N1C(C)=C(C(=O)N(C)C)[C@@H](c2ccc([O-])c(F)c2)NC1=S ZINC001116379126 933520236 /nfs/dbraw/zinc/52/02/36/933520236.db2.gz QRKXBACMHXPGMM-LJQANCHMSA-N -1 3 399.491 3.638 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4cc(OC)ccc4c3)nc21 ZINC001116435534 933556466 /nfs/dbraw/zinc/55/64/66/933556466.db2.gz QTKRKSPHDPTZJR-UHFFFAOYSA-N -1 3 375.384 3.764 20 0 GHADHM COc1ccc(C(NC(=O)c2ccc(O)cc2[O-])c2ccc(OC)cc2)cc1 ZINC001116518255 933605964 /nfs/dbraw/zinc/60/59/64/933605964.db2.gz YQRJAFXGNSUVBD-UHFFFAOYSA-N -1 3 379.412 3.634 20 0 GHADHM Cc1nnsc1[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000929884024 933689293 /nfs/dbraw/zinc/68/92/93/933689293.db2.gz QVQNONUXJKPHEC-LLVKDONJSA-N -1 3 380.901 3.617 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC001116661480 933690983 /nfs/dbraw/zinc/69/09/83/933690983.db2.gz WAESWMXCUYTWBK-UHFFFAOYSA-N -1 3 394.456 3.609 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)cc1 ZINC001116863627 933800172 /nfs/dbraw/zinc/80/01/72/933800172.db2.gz IHLZSEADTCRNKC-UHFFFAOYSA-N -1 3 393.484 3.821 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC/C=C\C3CC3)c2)cc1 ZINC001117771669 934016072 /nfs/dbraw/zinc/01/60/72/934016072.db2.gz NWFQRYGCEIVTGA-ARJAWSKDSA-N -1 3 384.501 3.800 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCCC2)s1 ZINC000561539569 934255487 /nfs/dbraw/zinc/25/54/87/934255487.db2.gz GQDVDBNOFLGNQW-UHFFFAOYSA-N -1 3 399.925 3.503 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnn(CC(C)C)c1C ZINC001119409406 934345209 /nfs/dbraw/zinc/34/52/09/934345209.db2.gz IZQCUHVUIIADLY-UHFFFAOYSA-N -1 3 396.447 3.932 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cn1 ZINC001120786166 934513774 /nfs/dbraw/zinc/51/37/74/934513774.db2.gz UUUIQZZKWOFKOF-UHFFFAOYSA-N -1 3 381.885 3.656 20 0 GHADHM O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1c[n-]c2ccccc2c1=O ZINC001120855486 934525705 /nfs/dbraw/zinc/52/57/05/934525705.db2.gz MJFIPISDUNRCQE-UHFFFAOYSA-N -1 3 393.424 3.551 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)n1 ZINC001120935270 934538495 /nfs/dbraw/zinc/53/84/95/934538495.db2.gz NOPUQCYTBCHTIH-UHFFFAOYSA-N -1 3 377.235 3.944 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC[C@H]1CCOC1 ZINC000828723943 934561225 /nfs/dbraw/zinc/56/12/25/934561225.db2.gz HIFPKVMOKUKJSO-UWJYYQICSA-N -1 3 397.471 3.613 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC(C3CC3)C2)cc1 ZINC000931622248 934647427 /nfs/dbraw/zinc/64/74/27/934647427.db2.gz YULSBWAPTWCFAM-UHFFFAOYSA-N -1 3 399.516 3.978 20 0 GHADHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000562098242 934695849 /nfs/dbraw/zinc/69/58/49/934695849.db2.gz VVSUPPBCDWDEJH-UHFFFAOYSA-N -1 3 397.788 3.623 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001121810573 934770673 /nfs/dbraw/zinc/77/06/73/934770673.db2.gz LGBXSOSMTISCOR-PMACEKPBSA-N -1 3 387.524 3.643 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCCC(F)(F)CC2)n1CCc1ccccc1 ZINC001122218256 934845141 /nfs/dbraw/zinc/84/51/41/934845141.db2.gz SZDSIBIFOMUMHB-UHFFFAOYSA-N -1 3 389.406 3.507 20 0 GHADHM Cn1nccc1[C@@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000932269652 934864411 /nfs/dbraw/zinc/86/44/11/934864411.db2.gz LDUCROHYQOYRQZ-AWEZNQCLSA-N -1 3 381.461 3.728 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](C2CCCC2)C1 ZINC001124127348 935346106 /nfs/dbraw/zinc/34/61/06/935346106.db2.gz NIJGTWWXLNADPM-IBGZPJMESA-N -1 3 394.519 3.502 20 0 GHADHM CCCc1nnc([N-]C(=O)c2nn(-c3ccccc3)cc2Br)s1 ZINC001124203142 935357232 /nfs/dbraw/zinc/35/72/32/935357232.db2.gz WXUJEGQKZPNFQX-UHFFFAOYSA-N -1 3 392.282 3.691 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)c([O-])c1 ZINC001137612833 935627515 /nfs/dbraw/zinc/62/75/15/935627515.db2.gz XFQAEMOPHCVYLY-NRFANRHFSA-N -1 3 384.451 3.536 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000828769262 935704869 /nfs/dbraw/zinc/70/48/69/935704869.db2.gz YDNDNVPZHLDOAW-UHFFFAOYSA-N -1 3 385.533 3.579 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC(C)(C)C1 ZINC001137800841 935796414 /nfs/dbraw/zinc/79/64/14/935796414.db2.gz BGDBOJIHSFKNMY-NSHDSACASA-N -1 3 377.282 3.799 20 0 GHADHM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001137913862 935866689 /nfs/dbraw/zinc/86/66/89/935866689.db2.gz JLMRBXPXDRAZTH-MRXNPFEDSA-N -1 3 388.345 3.589 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)cnn1C1CCOCC1 ZINC000830028752 935892222 /nfs/dbraw/zinc/89/22/22/935892222.db2.gz RGHSWQWNCNOEAM-YFHOEESVSA-N -1 3 381.885 3.609 20 0 GHADHM CC[C@](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908885531 939345656 /nfs/dbraw/zinc/34/56/56/939345656.db2.gz ZYBKXGXOJYNORV-KPDCDPCYSA-N -1 3 395.503 3.511 20 0 GHADHM Brc1cc(N2CCCc3sccc3C2)ccc1-c1nnn[n-]1 ZINC001573279022 946627820 /nfs/dbraw/zinc/62/78/20/946627820.db2.gz CXBGVGHAUGSYLI-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM Brc1cc(N2CCCc3sccc3C2)ccc1-c1nn[n-]n1 ZINC001573279022 946627824 /nfs/dbraw/zinc/62/78/24/946627824.db2.gz CXBGVGHAUGSYLI-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM Brc1cnc(NCC(C2CCC2)C2CCC2)cc1-c1nnn[n-]1 ZINC001573279118 946631136 /nfs/dbraw/zinc/63/11/36/946631136.db2.gz BSOUZHPEZAEKSL-UHFFFAOYSA-N -1 3 377.290 3.653 20 0 GHADHM Brc1cnc(NCC(C2CCC2)C2CCC2)cc1-c1nn[n-]n1 ZINC001573279118 946631141 /nfs/dbraw/zinc/63/11/41/946631141.db2.gz BSOUZHPEZAEKSL-UHFFFAOYSA-N -1 3 377.290 3.653 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1NCc1ncc(-c2ccccc2)o1 ZINC001573279952 946653023 /nfs/dbraw/zinc/65/30/23/946653023.db2.gz OJKAYPJYPDXGAP-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1NCc1ncc(-c2ccccc2)o1 ZINC001573279952 946653030 /nfs/dbraw/zinc/65/30/30/946653030.db2.gz OJKAYPJYPDXGAP-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573365081 947728345 /nfs/dbraw/zinc/72/83/45/947728345.db2.gz KXYRXHZVYVLVNR-DHZHZOJOSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573365081 947728355 /nfs/dbraw/zinc/72/83/55/947728355.db2.gz KXYRXHZVYVLVNR-DHZHZOJOSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001573367265 947757865 /nfs/dbraw/zinc/75/78/65/947757865.db2.gz ZAZUMSMIBWBCEE-FMIVXFBMSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001573367265 947757875 /nfs/dbraw/zinc/75/78/75/947757875.db2.gz ZAZUMSMIBWBCEE-FMIVXFBMSA-N -1 3 394.866 3.822 20 0 GHADHM C[C@H](C(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001573716921 948503097 /nfs/dbraw/zinc/50/30/97/948503097.db2.gz JYKBKCCAFPGCPW-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM C[C@H](C(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001573716921 948503107 /nfs/dbraw/zinc/50/31/07/948503107.db2.gz JYKBKCCAFPGCPW-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436647802 948515703 /nfs/dbraw/zinc/51/57/03/948515703.db2.gz DJCNZRCZWKXNQZ-UHFFFAOYSA-N -1 3 391.406 3.957 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436647802 948515709 /nfs/dbraw/zinc/51/57/09/948515709.db2.gz DJCNZRCZWKXNQZ-UHFFFAOYSA-N -1 3 391.406 3.957 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H](OCC1CCCC1)c1ccccc1 ZINC001525064642 948540185 /nfs/dbraw/zinc/54/01/85/948540185.db2.gz ZCHHSMYUCFDBGL-LJQANCHMSA-N -1 3 395.438 3.892 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H](OCC1CCCC1)c1ccccc1 ZINC001525064642 948540193 /nfs/dbraw/zinc/54/01/93/948540193.db2.gz ZCHHSMYUCFDBGL-LJQANCHMSA-N -1 3 395.438 3.892 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCc2ccc(F)cc21 ZINC001574082158 948848988 /nfs/dbraw/zinc/84/89/88/948848988.db2.gz BDDKINQRPJWRCR-OALUTQOASA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCc2ccc(F)cc21 ZINC001574082158 948849000 /nfs/dbraw/zinc/84/90/00/948849000.db2.gz BDDKINQRPJWRCR-OALUTQOASA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)(C(=O)N[C@H](C1CCC1)C1CCCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573771720 948947504 /nfs/dbraw/zinc/94/75/04/948947504.db2.gz LVWURKIUCBHEKJ-SFHVURJKSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)(C(=O)N[C@H](C1CCC1)C1CCCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573771720 948947510 /nfs/dbraw/zinc/94/75/10/948947510.db2.gz LVWURKIUCBHEKJ-SFHVURJKSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091453 949016831 /nfs/dbraw/zinc/01/68/31/949016831.db2.gz NJIQQUBCZMBGAX-MBOZVWFJSA-N -1 3 399.539 3.991 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091453 949016846 /nfs/dbraw/zinc/01/68/46/949016846.db2.gz NJIQQUBCZMBGAX-MBOZVWFJSA-N -1 3 399.539 3.991 20 0 GHADHM CC(C)C1(C)CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001574092545 949062799 /nfs/dbraw/zinc/06/27/99/949062799.db2.gz SVZCDLCJJRBMIZ-UHFFFAOYSA-N -1 3 379.468 3.712 20 0 GHADHM CC(C)C1(C)CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001574092545 949062823 /nfs/dbraw/zinc/06/28/23/949062823.db2.gz SVZCDLCJJRBMIZ-UHFFFAOYSA-N -1 3 379.468 3.712 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001574092596 949071149 /nfs/dbraw/zinc/07/11/49/949071149.db2.gz SAVQKLNHOUBHHP-VXGBXAGGSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001574092596 949071172 /nfs/dbraw/zinc/07/11/72/949071172.db2.gz SAVQKLNHOUBHHP-VXGBXAGGSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C(=O)NCc1ccnc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573782607 949127046 /nfs/dbraw/zinc/12/70/46/949127046.db2.gz FZFXOIQOLUGKNO-UHFFFAOYSA-N -1 3 398.470 3.523 20 0 GHADHM CC(C)(C(=O)NCc1ccnc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573782607 949127055 /nfs/dbraw/zinc/12/70/55/949127055.db2.gz FZFXOIQOLUGKNO-UHFFFAOYSA-N -1 3 398.470 3.523 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCC(C)(C)O3)c2-c2nnn[n-]2)C1 ZINC001574100273 949189615 /nfs/dbraw/zinc/18/96/15/949189615.db2.gz SPXLNBLFNODDIJ-WCQYABFASA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCC(C)(C)O3)c2-c2nn[n-]n2)C1 ZINC001574100273 949189624 /nfs/dbraw/zinc/18/96/24/949189624.db2.gz SPXLNBLFNODDIJ-WCQYABFASA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573806174 949484906 /nfs/dbraw/zinc/48/49/06/949484906.db2.gz JTGAYBAXJYJHMK-ZWKOTPCHSA-N -1 3 389.459 3.838 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573806174 949484924 /nfs/dbraw/zinc/48/49/24/949484924.db2.gz JTGAYBAXJYJHMK-ZWKOTPCHSA-N -1 3 389.459 3.838 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576158814 949505885 /nfs/dbraw/zinc/50/58/85/949505885.db2.gz URCXDZZNOFFUFK-LSDHHAIUSA-N -1 3 377.448 3.825 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576158814 949505902 /nfs/dbraw/zinc/50/59/02/949505902.db2.gz URCXDZZNOFFUFK-LSDHHAIUSA-N -1 3 377.448 3.825 20 0 GHADHM C[C@@]1(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCc2ccccc21 ZINC001575564613 949867657 /nfs/dbraw/zinc/86/76/57/949867657.db2.gz QRLCTOUUEZVBHM-NZQKXSOJSA-N -1 3 387.487 3.655 20 0 GHADHM C[C@@]1(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCc2ccccc21 ZINC001575564613 949867677 /nfs/dbraw/zinc/86/76/77/949867677.db2.gz QRLCTOUUEZVBHM-NZQKXSOJSA-N -1 3 387.487 3.655 20 0 GHADHM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001576179764 949921330 /nfs/dbraw/zinc/92/13/30/949921330.db2.gz LRKKOSNQPHNPQL-VJICWTENSA-N -1 3 387.487 3.800 20 0 GHADHM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001576179764 949921355 /nfs/dbraw/zinc/92/13/55/949921355.db2.gz LRKKOSNQPHNPQL-VJICWTENSA-N -1 3 387.487 3.800 20 0 GHADHM CC(C)CC1(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001574166131 950459256 /nfs/dbraw/zinc/45/92/56/950459256.db2.gz NKXHBIGOQLXMOH-UHFFFAOYSA-N -1 3 387.553 3.823 20 0 GHADHM CC(C)CC1(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001574166131 950459269 /nfs/dbraw/zinc/45/92/69/950459269.db2.gz NKXHBIGOQLXMOH-UHFFFAOYSA-N -1 3 387.553 3.823 20 0 GHADHM CC1(C)c2ccc(C(=O)Nc3cc4ccccc4cc3-c3nnn[n-]3)cc2NC1=O ZINC001575614691 950548086 /nfs/dbraw/zinc/54/80/86/950548086.db2.gz MRXCWXHZPBEKRS-UHFFFAOYSA-N -1 3 398.426 3.502 20 0 GHADHM CC1(C)c2ccc(C(=O)Nc3cc4ccccc4cc3-c3nn[n-]n3)cc2NC1=O ZINC001575614691 950548101 /nfs/dbraw/zinc/54/81/01/950548101.db2.gz MRXCWXHZPBEKRS-UHFFFAOYSA-N -1 3 398.426 3.502 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(-c5nnn[n-]5)ccc4F)cc3c2C1 ZINC001576213548 950632208 /nfs/dbraw/zinc/63/22/08/950632208.db2.gz CLPNKFQIBAKHCF-NSHDSACASA-N -1 3 390.422 3.864 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(-c5nn[n-]n5)ccc4F)cc3c2C1 ZINC001576213548 950632214 /nfs/dbraw/zinc/63/22/14/950632214.db2.gz CLPNKFQIBAKHCF-NSHDSACASA-N -1 3 390.422 3.864 20 0 GHADHM CC1(C)C(c2cc(NC(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)n[nH]2)C1(C)C ZINC001575622332 950638492 /nfs/dbraw/zinc/63/84/92/950638492.db2.gz CNTAFSBFIKTWMK-UHFFFAOYSA-N -1 3 385.859 3.645 20 0 GHADHM CC1(C)C(c2cc(NC(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)n[nH]2)C1(C)C ZINC001575622332 950638500 /nfs/dbraw/zinc/63/85/00/950638500.db2.gz CNTAFSBFIKTWMK-UHFFFAOYSA-N -1 3 385.859 3.645 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)c2cnc(CC3CC3)s2)cc1-c1nnn[n-]1 ZINC001573876215 950664204 /nfs/dbraw/zinc/66/42/04/950664204.db2.gz FTQBNNAVNMAOBM-UHFFFAOYSA-N -1 3 398.492 3.705 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)c2cnc(CC3CC3)s2)cc1-c1nn[n-]n1 ZINC001573876215 950664213 /nfs/dbraw/zinc/66/42/13/950664213.db2.gz FTQBNNAVNMAOBM-UHFFFAOYSA-N -1 3 398.492 3.705 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1-c1nnn[n-]1 ZINC001573876374 950672674 /nfs/dbraw/zinc/67/26/74/950672674.db2.gz MYCRFQFMEVGJDR-MRXNPFEDSA-N -1 3 384.484 3.888 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC001573876374 950672688 /nfs/dbraw/zinc/67/26/88/950672688.db2.gz MYCRFQFMEVGJDR-MRXNPFEDSA-N -1 3 384.484 3.888 20 0 GHADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001575624875 950673659 /nfs/dbraw/zinc/67/36/59/950673659.db2.gz PWGRQANMOQFSEV-QGZVFWFLSA-N -1 3 380.427 3.806 20 0 GHADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001575624875 950673671 /nfs/dbraw/zinc/67/36/71/950673671.db2.gz PWGRQANMOQFSEV-QGZVFWFLSA-N -1 3 380.427 3.806 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2nc(C(C)(C)C)ccc2-c2nnn[n-]2)n1 ZINC001573876776 950683371 /nfs/dbraw/zinc/68/33/71/950683371.db2.gz VYABBIQSJODZJE-UHFFFAOYSA-N -1 3 381.484 3.744 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2nc(C(C)(C)C)ccc2-c2nn[n-]n2)n1 ZINC001573876776 950683386 /nfs/dbraw/zinc/68/33/86/950683386.db2.gz VYABBIQSJODZJE-UHFFFAOYSA-N -1 3 381.484 3.744 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001574520278 950722611 /nfs/dbraw/zinc/72/26/11/950722611.db2.gz OYVJOBWFTQUNJB-KBXCAEBGSA-N -1 3 393.447 3.803 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001574520278 950722626 /nfs/dbraw/zinc/72/26/26/950722626.db2.gz OYVJOBWFTQUNJB-KBXCAEBGSA-N -1 3 393.447 3.803 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CC2CCCC2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573879906 950737928 /nfs/dbraw/zinc/73/79/28/950737928.db2.gz OGKFWVBVUOGNKB-UHFFFAOYSA-N -1 3 393.495 3.869 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC001573882031 950764271 /nfs/dbraw/zinc/76/42/71/950764271.db2.gz OQEBFKOSMGYHGW-CYBMUJFWSA-N -1 3 398.898 3.870 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC001573882031 950764286 /nfs/dbraw/zinc/76/42/86/950764286.db2.gz OQEBFKOSMGYHGW-CYBMUJFWSA-N -1 3 398.898 3.870 20 0 GHADHM CC(C)CC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001574184483 950786334 /nfs/dbraw/zinc/78/63/34/950786334.db2.gz LXGGILGVIHLGLB-CYBMUJFWSA-N -1 3 398.433 3.861 20 0 GHADHM CCO[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1(CC)CC ZINC001591762201 951205008 /nfs/dbraw/zinc/20/50/08/951205008.db2.gz NCBQAKGJLKPLII-RYQLBKOJSA-N -1 3 378.513 3.654 20 0 GHADHM O=C([O-])CCc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC001595067053 951562313 /nfs/dbraw/zinc/56/23/13/951562313.db2.gz VUOCDXLVDCQLJM-FQEVSTJZSA-N -1 3 381.476 3.662 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC001575187527 952442746 /nfs/dbraw/zinc/44/27/46/952442746.db2.gz CXKPAOYJNHPFDO-BFUOFWGJSA-N -1 3 380.423 3.805 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC001575187527 952442748 /nfs/dbraw/zinc/44/27/48/952442748.db2.gz CXKPAOYJNHPFDO-BFUOFWGJSA-N -1 3 380.423 3.805 20 0 GHADHM C[C@@H](COCC1CCCCC1)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589076083 955812286 /nfs/dbraw/zinc/81/22/86/955812286.db2.gz XIVWXOIQUQYBHT-FUHWJXTLSA-N -1 3 378.513 3.656 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588748547 961201440 /nfs/dbraw/zinc/20/14/40/961201440.db2.gz UEWGCHUNVCSQSS-VCDSYBKSSA-N -1 3 397.519 3.672 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2c[nH]nc2-c2ccsc2)C[C@H]1c1ccc(F)cc1F ZINC001331964476 961439700 /nfs/dbraw/zinc/43/97/00/961439700.db2.gz YUYIRHZYVCCSGS-JKSUJKDBSA-N -1 3 389.427 3.717 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001346260489 962336032 /nfs/dbraw/zinc/33/60/32/962336032.db2.gz NEIXOVCBOXIZDB-DEOSSOPVSA-N -1 3 394.515 3.833 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCc3c(F)cccc3Cl)o2)C1 ZINC001574652005 962443805 /nfs/dbraw/zinc/44/38/05/962443805.db2.gz QWDHGTFCVSLPPB-CYBMUJFWSA-N -1 3 380.847 3.705 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])N2CCCC2)cc1 ZINC001341355116 969751428 /nfs/dbraw/zinc/75/14/28/969751428.db2.gz YQAAZCCRSPPZPV-PMACEKPBSA-N -1 3 387.524 3.561 20 0 GHADHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001591710513 975585600 /nfs/dbraw/zinc/58/56/00/975585600.db2.gz AXQVONDNSJSCJM-QGZVFWFLSA-N -1 3 396.846 3.976 20 0 GHADHM CC(C)OCCOC1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001591726296 975684225 /nfs/dbraw/zinc/68/42/25/975684225.db2.gz MLMQIPJAWXIJAI-QGZVFWFLSA-N -1 3 389.414 3.737 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001154415145 1032090426 /nfs/dbraw/zinc/09/04/26/1032090426.db2.gz GZVNAGJUXYZDHU-UHFFFAOYSA-N -1 3 388.305 3.793 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625911408 1014370182 /nfs/dbraw/zinc/37/01/82/1014370182.db2.gz KGNCXTOGRPGMEG-UHFFFAOYSA-N -1 3 399.454 3.535 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625911408 1014370193 /nfs/dbraw/zinc/37/01/93/1014370193.db2.gz KGNCXTOGRPGMEG-UHFFFAOYSA-N -1 3 399.454 3.535 20 0 GHADHM Cc1cc(C)cc([C@H](NCc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])c1 ZINC000756390692 978700188 /nfs/dbraw/zinc/70/01/88/978700188.db2.gz XCTYMSPSEOBKPZ-SFHVURJKSA-N -1 3 385.464 3.961 20 0 GHADHM O=c1cc(O[C@H](c2ccccc2)c2ccccc2Cl)nc(N2CCOCC2)[n-]1 ZINC001226727739 1032096720 /nfs/dbraw/zinc/09/67/20/1032096720.db2.gz IDZULWPQKJWLOL-HXUWFJFHSA-N -1 3 397.862 3.841 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC001592865752 979709053 /nfs/dbraw/zinc/70/90/53/979709053.db2.gz GSWWWSKEPOBQHP-SJORKVTESA-N -1 3 383.492 3.592 20 0 GHADHM CC[C@H](N[C@H](C)c1ccccc1OCC(=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC001595281191 980331615 /nfs/dbraw/zinc/33/16/15/980331615.db2.gz JYWABEMVBUMNIH-ADYAMRHXSA-N -1 3 379.403 3.591 20 0 GHADHM CCCCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1(C)C ZINC001595770434 982508472 /nfs/dbraw/zinc/50/84/72/982508472.db2.gz IFBXCGJBQQOODJ-BFHYXJOUSA-N -1 3 382.526 3.655 20 0 GHADHM CCCN(C)[C@H](CNC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595836709 982744508 /nfs/dbraw/zinc/74/45/08/982744508.db2.gz KFQRBGGWBAZLJB-OAHLLOKOSA-N -1 3 378.856 3.753 20 0 GHADHM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)[C@@H]1C ZINC001596568830 984456940 /nfs/dbraw/zinc/45/69/40/984456940.db2.gz ONMSFFNEJDJTMH-UHQDVWGKSA-N -1 3 397.899 3.715 20 0 GHADHM CCO[C@@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1(CC)CC ZINC001596832903 985466119 /nfs/dbraw/zinc/46/61/19/985466119.db2.gz JPTKGNKIZDBHFX-UONOGXRCSA-N -1 3 382.526 3.575 20 0 GHADHM CCOC1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)CC1 ZINC001596855558 985609099 /nfs/dbraw/zinc/60/90/99/985609099.db2.gz SAUKFKULKGUHJB-UHFFFAOYSA-N -1 3 389.448 3.566 20 0 GHADHM Cc1[nH]c(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c(C)c1C(=O)[O-] ZINC001599953168 985643884 /nfs/dbraw/zinc/64/38/84/985643884.db2.gz RFQFRDMVOQRQHA-GOSISDBHSA-N -1 3 397.519 3.533 20 0 GHADHM Cc1[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC001599953717 985652534 /nfs/dbraw/zinc/65/25/34/985652534.db2.gz YMFAWXBVHUICRE-GOSISDBHSA-N -1 3 383.492 3.533 20 0 GHADHM C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@H]2CCCC[C@H]12 ZINC001594507194 985726630 /nfs/dbraw/zinc/72/66/30/985726630.db2.gz LRKASUJNKNCEIJ-NFAWXSAZSA-N -1 3 376.522 3.774 20 0 GHADHM CCOP(=O)(CCCN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)OCC ZINC001596968433 986182729 /nfs/dbraw/zinc/18/27/29/986182729.db2.gz MMJARKUHMSXWKB-ZDUSSCGKSA-N -1 3 390.442 3.943 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001594544482 986200053 /nfs/dbraw/zinc/20/00/53/986200053.db2.gz HXRBAPXAYFMFRR-SFHVURJKSA-N -1 3 395.503 3.690 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC001597074096 986598260 /nfs/dbraw/zinc/59/82/60/986598260.db2.gz JFWUZBITIGNNON-SFHVURJKSA-N -1 3 375.490 3.791 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001589511046 987138093 /nfs/dbraw/zinc/13/80/93/987138093.db2.gz YGJYWFOWXRMYIM-OXJNMPFZSA-N -1 3 381.476 3.833 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C)CCN([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001589855564 988399564 /nfs/dbraw/zinc/39/95/64/988399564.db2.gz VPMAFMMBVVGPQX-RDTXWAMCSA-N -1 3 398.297 3.629 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cc3ccccc3o2)CC12CC(C(=O)[O-])C2 ZINC001589865582 988457280 /nfs/dbraw/zinc/45/72/80/988457280.db2.gz CKUAXPBKDBIQRK-WIVVBHTDSA-N -1 3 385.460 3.687 20 0 GHADHM CSc1cccc(N(C(=O)CC(C)(C)CC(=O)[O-])C2CCN(C)CC2)c1 ZINC001599821546 988523330 /nfs/dbraw/zinc/52/33/30/988523330.db2.gz CKBTVFYSFGDICC-UHFFFAOYSA-N -1 3 378.538 3.727 20 0 GHADHM C[C@@H]1CN(Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599865870 989255679 /nfs/dbraw/zinc/25/56/79/989255679.db2.gz KSRFGIPOCNCONU-UKRRQHHQSA-N -1 3 375.900 3.976 20 0 GHADHM CC(C)(C)OC(=O)NOCCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001590236665 989622390 /nfs/dbraw/zinc/62/23/90/989622390.db2.gz ICYPZFKSIOGCBX-UHFFFAOYSA-N -1 3 390.436 3.581 20 0 GHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001598228313 990919705 /nfs/dbraw/zinc/91/97/05/990919705.db2.gz FCQARMZIKWIQSY-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM COc1ccccc1-c1csc([C@H]2CCCN(Cc3oncc3C(=O)[O-])C2)n1 ZINC001599692289 991089411 /nfs/dbraw/zinc/08/94/11/991089411.db2.gz OGXNMELIJYLRFL-ZDUSSCGKSA-N -1 3 399.472 3.885 20 0 GHADHM COc1nsc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1C(=O)[O-] ZINC001599740411 991843010 /nfs/dbraw/zinc/84/30/10/991843010.db2.gz RRQHTEQPFRRHTP-LLVKDONJSA-N -1 3 386.395 3.858 20 0 GHADHM CN(Cc1cccc2[nH]c(=O)oc21)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598526406 992726327 /nfs/dbraw/zinc/72/63/27/992726327.db2.gz DSHYKTLYELQENR-CQSZACIVSA-N -1 3 391.221 3.554 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H](c1ccccc1)N(C)C ZINC001593111324 993783814 /nfs/dbraw/zinc/78/38/14/993783814.db2.gz FAMKFPMCKHOBQJ-SJKOYZFVSA-N -1 3 375.856 3.851 20 0 GHADHM COc1ccc(OC2CCN(Cc3ccnc4c(C(=O)[O-])cccc34)CC2)cc1 ZINC001599607323 993903902 /nfs/dbraw/zinc/90/39/02/993903902.db2.gz YRAPAGFJBDQGSO-UHFFFAOYSA-N -1 3 392.455 3.985 20 0 GHADHM C[C@@H](NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cc(C(=O)[O-])co1 ZINC001593246502 994452630 /nfs/dbraw/zinc/45/26/30/994452630.db2.gz MIYDOIKMQJZFEN-QRWLVFNGSA-N -1 3 381.428 3.941 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(C(=O)OC(C)C)cc2)c1 ZINC001599656333 994587380 /nfs/dbraw/zinc/58/73/80/994587380.db2.gz UPWBJGMLPATZCU-JOCHJYFZSA-N -1 3 385.460 3.740 20 0 GHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000545448754 1015882223 /nfs/dbraw/zinc/88/22/23/1015882223.db2.gz ZZGKYLDKJVAPTL-UHFFFAOYSA-N -1 3 377.326 3.917 20 0 GHADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC001593304386 994747062 /nfs/dbraw/zinc/74/70/62/994747062.db2.gz MCGRLFMKEQHXCW-NSHDSACASA-N -1 3 382.229 3.902 20 0 GHADHM COc1cccc(CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C[C@@H]2CCCO2)c1 ZINC001599674081 994866238 /nfs/dbraw/zinc/86/62/38/994866238.db2.gz ZJJKRJAODJNSGY-QFIPXVFZSA-N -1 3 395.499 3.993 20 0 GHADHM CNc1ccc(C)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC001598680265 994916220 /nfs/dbraw/zinc/91/62/20/994916220.db2.gz YCWPKQWAWXSNBW-IBGZPJMESA-N -1 3 384.476 3.628 20 0 GHADHM COc1cccc(OC)c1Oc1ccc(CNCc2ccc(C(=O)[O-])cc2)cn1 ZINC001599682739 995008463 /nfs/dbraw/zinc/00/84/63/995008463.db2.gz ULUGCMLJDPCGKI-UHFFFAOYSA-N -1 3 394.427 3.879 20 0 GHADHM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c([O-])c1Br ZINC000545502135 1015953577 /nfs/dbraw/zinc/95/35/77/1015953577.db2.gz ZLCNLEBMFVROJQ-INIZCTEOSA-N -1 3 377.238 3.750 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001593689490 996132737 /nfs/dbraw/zinc/13/27/37/996132737.db2.gz IUSDOLFEPFNWBH-XOBRGWDASA-N -1 3 378.469 3.762 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001593689483 996132832 /nfs/dbraw/zinc/13/28/32/996132832.db2.gz IUSDOLFEPFNWBH-JLTOFOAXSA-N -1 3 378.469 3.762 20 0 GHADHM CC1(C)CCC[C@@](NCC(=O)Nc2ccc(N3CCCCC3)cc2)(C(=O)[O-])C1 ZINC001593896408 996753831 /nfs/dbraw/zinc/75/38/31/996753831.db2.gz WQUNHJLUYVJEMO-QFIPXVFZSA-N -1 3 387.524 3.629 20 0 GHADHM CN1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000468834485 1016089098 /nfs/dbraw/zinc/08/90/98/1016089098.db2.gz DCBJXQPZJIFNRB-GHTZIAJQSA-N -1 3 392.421 3.694 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cccc2[nH]c(-c3ccccc3)nc21 ZINC001154490137 1032138919 /nfs/dbraw/zinc/13/89/19/1032138919.db2.gz PIXKYHUXMDMLKI-UHFFFAOYSA-N -1 3 397.394 3.837 20 0 GHADHM COc1cc(CN2CCC[C@H](CF)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407520 997350561 /nfs/dbraw/zinc/35/05/61/997350561.db2.gz MVQGHPQRIXKSML-OAHLLOKOSA-N -1 3 377.412 3.747 20 0 GHADHM CCCCNC(=O)C1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000468855638 1016119176 /nfs/dbraw/zinc/11/91/76/1016119176.db2.gz GPDHVXKSKCJOLA-UHFFFAOYSA-N -1 3 378.488 3.589 20 0 GHADHM COC(=O)c1cc(CN(C)CCOc2ccccc2C(C)(C)C)cc(C(=O)[O-])c1 ZINC001598929289 997712786 /nfs/dbraw/zinc/71/27/86/997712786.db2.gz GFJRAWJBNIXULE-UHFFFAOYSA-N -1 3 399.487 3.980 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)c(=O)[n-]1 ZINC000545676007 1016222444 /nfs/dbraw/zinc/22/24/44/1016222444.db2.gz LDVOZVSKJGPLHF-UHFFFAOYSA-N -1 3 398.426 3.983 20 0 GHADHM CO[C@@](C)(CNCc1cc(C(=O)[O-])ccc1Cl)COCc1ccccc1 ZINC001599036573 999087440 /nfs/dbraw/zinc/08/74/40/999087440.db2.gz JVHBLRZBFQDIJW-FQEVSTJZSA-N -1 3 377.868 3.750 20 0 GHADHM CC1CCN(C(=O)C2CCN(Cc3c(Cl)cccc3C(=O)[O-])CC2)CC1 ZINC001594396573 999494810 /nfs/dbraw/zinc/49/48/10/999494810.db2.gz OEVGSIJFWWIQSX-UHFFFAOYSA-N -1 3 378.900 3.509 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)ccc1F ZINC000469025047 1016349065 /nfs/dbraw/zinc/34/90/65/1016349065.db2.gz QVWYJSORWPGDAT-AWEZNQCLSA-N -1 3 392.496 3.995 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@](C)(c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000469051608 1016376410 /nfs/dbraw/zinc/37/64/10/1016376410.db2.gz UQHZEVWNBWDWGN-HNNXBMFYSA-N -1 3 395.349 3.729 20 0 GHADHM COc1ccc(OC)c(CCCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469122198 1016519362 /nfs/dbraw/zinc/51/93/62/1016519362.db2.gz YAQHRHLYWJBSGP-UHFFFAOYSA-N -1 3 375.440 3.620 20 0 GHADHM COc1ccc(C(=O)CCCCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000546861183 1016756467 /nfs/dbraw/zinc/75/64/67/1016756467.db2.gz CBPJNMJWGCOPDC-UHFFFAOYSA-N -1 3 377.444 3.889 20 0 GHADHM Cc1ccccc1C(NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1C ZINC000546922470 1016771030 /nfs/dbraw/zinc/77/10/30/1016771030.db2.gz YBDKOHWVAJCUEA-UHFFFAOYSA-N -1 3 375.472 3.864 20 0 GHADHM Cc1[n-]nc(I)c1C(=O)Oc1ccc(Cl)cc1C ZINC001290290762 1049792019 /nfs/dbraw/zinc/79/20/19/1049792019.db2.gz RSUYHJRBVRLJMJ-UHFFFAOYSA-N -1 3 376.581 3.504 20 0 GHADHM [O-]c1cc(I)ccc1NC(=S)NC1CCCCC1 ZINC001200651054 1056594390 /nfs/dbraw/zinc/59/43/90/1056594390.db2.gz RLGNZTLYQOHXHB-UHFFFAOYSA-N -1 3 376.263 3.616 20 0 GHADHM [O-]c1cccc(O[C@H]2CCN(Cc3ccccc3)C2)c1I ZINC001227375163 1032394153 /nfs/dbraw/zinc/39/41/53/1032394153.db2.gz DTOWTERTRYNRPG-AWEZNQCLSA-N -1 3 395.240 3.650 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2cc(C(=O)Nc3ncccc3[O-])cnc2c1 ZINC001155082378 1032405415 /nfs/dbraw/zinc/40/54/15/1032405415.db2.gz RIZLNKJOLFHJRO-UHFFFAOYSA-N -1 3 380.404 3.935 20 0 GHADHM COc1ccc(-c2ccccc2NC(=O)c2nc3nc(Cl)ccc3[n-]2)nc1 ZINC001155187325 1032449597 /nfs/dbraw/zinc/44/95/97/1032449597.db2.gz YHHIKBBNENNKFM-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM COc1ccc(-c2ccccc2NC(=O)c2nc3ccc(Cl)[n-]c-3n2)nc1 ZINC001155187325 1032449598 /nfs/dbraw/zinc/44/95/98/1032449598.db2.gz YHHIKBBNENNKFM-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM COc1ccc(-c2ccccc2NC(=O)c2nc3ccc(Cl)nc3[n-]2)nc1 ZINC001155187325 1032449600 /nfs/dbraw/zinc/44/96/00/1032449600.db2.gz YHHIKBBNENNKFM-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227585879 1032473962 /nfs/dbraw/zinc/47/39/62/1032473962.db2.gz GFZHXRJVCYHGOV-GFCCVEGCSA-N -1 3 376.375 3.974 20 0 GHADHM O=c1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3Cc2ccccc2)[n-]c(C(F)(F)F)c1 ZINC001227583983 1032473167 /nfs/dbraw/zinc/47/31/67/1032473167.db2.gz OYUFBQRVPLBPAJ-XKQJLSEDSA-N -1 3 392.377 3.559 20 0 GHADHM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001227716649 1032528092 /nfs/dbraw/zinc/52/80/92/1032528092.db2.gz TXLNCKHUTACYJP-ZYHUDNBSSA-N -1 3 396.274 3.734 20 0 GHADHM CC(C)NC(=O)c1ccccc1OC1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001204156764 1032608349 /nfs/dbraw/zinc/60/83/49/1032608349.db2.gz LFISZTKTZLOGAL-UHFFFAOYSA-N -1 3 396.487 3.566 20 0 GHADHM O=C(NCCC1(F)CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000561705406 1017925763 /nfs/dbraw/zinc/92/57/63/1017925763.db2.gz YPKMOWCPKVZGAX-UHFFFAOYSA-N -1 3 394.443 3.639 20 0 GHADHM Cc1nc(C)c(Cc2nc(C3(c4c(F)cccc4F)CCCC3)no2)c(=O)[n-]1 ZINC000561935506 1017984493 /nfs/dbraw/zinc/98/44/93/1017984493.db2.gz WFAPOEGLKGMULL-UHFFFAOYSA-N -1 3 386.402 3.911 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3c4ccc(F)cc4O[C@H]3C)cc2)cc(=O)[n-]1 ZINC000562105238 1018041494 /nfs/dbraw/zinc/04/14/94/1018041494.db2.gz LNSVPQLPFJJMLL-YBTHPKLGSA-N -1 3 394.406 3.940 20 0 GHADHM Cc1c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cnn1[C@H]1CCOC1 ZINC000562631827 1018451809 /nfs/dbraw/zinc/45/18/09/1018451809.db2.gz UERBXEONHIYVMF-IBGZPJMESA-N -1 3 391.471 3.896 20 0 GHADHM CCOC(=O)C[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1ccccc1 ZINC001228075509 1032766088 /nfs/dbraw/zinc/76/60/88/1032766088.db2.gz ATOBMNATWQUQQP-OAHLLOKOSA-N -1 3 386.400 3.751 20 0 GHADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000932927883 1018759354 /nfs/dbraw/zinc/75/93/54/1018759354.db2.gz VXIMZOCIVHRKJW-OAHLLOKOSA-N -1 3 397.425 3.547 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@@H]2C[C@H]3CC[C@@H](C2)N3C)c([O-])c1 ZINC001228115984 1032789963 /nfs/dbraw/zinc/78/99/63/1032789963.db2.gz ODPSGQQFZDZZBZ-JLVBRIDZSA-N -1 3 397.471 3.644 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@H]2CCN(C(C)C)C2)c([O-])c1 ZINC001228116668 1032791394 /nfs/dbraw/zinc/79/13/94/1032791394.db2.gz YNQWGIGLYHDDOV-KRWDZBQOSA-N -1 3 385.460 3.502 20 0 GHADHM O=S(=O)(CCc1cccs1)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000563599428 1018933643 /nfs/dbraw/zinc/93/36/43/1018933643.db2.gz NMQGHMOJDABFIN-UHFFFAOYSA-N -1 3 381.910 3.631 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001228133434 1032801477 /nfs/dbraw/zinc/80/14/77/1032801477.db2.gz GEMPUEVWRBNFED-OAHLLOKOSA-N -1 3 393.480 3.562 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001228134008 1032802484 /nfs/dbraw/zinc/80/24/84/1032802484.db2.gz LIOHHSJBWXOUBS-LJQANCHMSA-N -1 3 383.488 3.827 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(Cl)cc1 ZINC000567116513 1019268488 /nfs/dbraw/zinc/26/84/88/1019268488.db2.gz AFOVGVCZQPWYFS-ROUUACIJSA-N -1 3 381.881 3.823 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3nc4ccccc4cc3Br)n[n-]2)o1 ZINC000567459391 1019301788 /nfs/dbraw/zinc/30/17/88/1019301788.db2.gz UAEVPVDCFLGJGA-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000570947165 1019656943 /nfs/dbraw/zinc/65/69/43/1019656943.db2.gz SLYLSBCXDXSGBB-AWEZNQCLSA-N -1 3 393.480 3.525 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(Cl)ccc1Cl ZINC000575754693 1019943622 /nfs/dbraw/zinc/94/36/22/1019943622.db2.gz DFOBFJMBNSSRRJ-DZGCQCFKSA-N -1 3 387.288 3.587 20 0 GHADHM COC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001156073269 1032863573 /nfs/dbraw/zinc/86/35/73/1032863573.db2.gz DQHVLDLJFKBNPK-INIZCTEOSA-N -1 3 392.789 3.577 20 0 GHADHM CC(C)=CCSC[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000600941738 1020281540 /nfs/dbraw/zinc/28/15/40/1020281540.db2.gz IDZKRJZYIHJSAC-LBPRGKRZSA-N -1 3 394.281 3.970 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCC(F)(F)CC1 ZINC000628635450 1020712877 /nfs/dbraw/zinc/71/28/77/1020712877.db2.gz NCQHHWZWMBPNGQ-UHFFFAOYSA-N -1 3 385.208 3.552 20 0 GHADHM O=C(NC[C@H]1CCCC12CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000629830672 1020771729 /nfs/dbraw/zinc/77/17/29/1020771729.db2.gz FFZLPPRLUFPYOF-LLVKDONJSA-N -1 3 375.266 3.601 20 0 GHADHM CCc1c(NC(=O)NN=c2nc(C)cc(C)[n-]2)cnn1-c1cccc(Cl)c1 ZINC000191605677 1020794099 /nfs/dbraw/zinc/79/40/99/1020794099.db2.gz RJALGNXWODVVJQ-UHFFFAOYSA-N -1 3 385.859 3.644 20 0 GHADHM CCCCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OCC)[n-]1 ZINC000191963198 1020833763 /nfs/dbraw/zinc/83/37/63/1020833763.db2.gz LQCQNRWWSLZRNU-UHFFFAOYSA-N -1 3 394.815 3.743 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC001156267301 1032950444 /nfs/dbraw/zinc/95/04/44/1032950444.db2.gz VFIPCBSLDSRKGY-HNNXBMFYSA-N -1 3 378.517 3.684 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC001156267301 1032950446 /nfs/dbraw/zinc/95/04/46/1032950446.db2.gz VFIPCBSLDSRKGY-HNNXBMFYSA-N -1 3 378.517 3.684 20 0 GHADHM COc1ccc([S@@](C)(=O)=NC(=O)c2cccc3[n-]c(C(F)F)nc32)cc1 ZINC001156276505 1032954920 /nfs/dbraw/zinc/95/49/20/1032954920.db2.gz KAGHNRRHCGTTEJ-AREMUKBSSA-N -1 3 379.388 3.806 20 0 GHADHM COc1ccc([S@@](C)(=O)=NC(=O)c2cccc3nc(C(F)F)[n-]c32)cc1 ZINC001156276505 1032954925 /nfs/dbraw/zinc/95/49/25/1032954925.db2.gz KAGHNRRHCGTTEJ-AREMUKBSSA-N -1 3 379.388 3.806 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001156284657 1032958201 /nfs/dbraw/zinc/95/82/01/1032958201.db2.gz KVFBYVOVHNWMAC-LBPRGKRZSA-N -1 3 385.880 3.936 20 0 GHADHM CC(C)[C@H]1C[C@](NCc2cccc(C(=O)N(C)C)c2)(C(=O)[O-])c2ccccc21 ZINC000900035611 1021296916 /nfs/dbraw/zinc/29/69/16/1021296916.db2.gz JLIZFDVVZOTPRE-AUSIDOKSSA-N -1 3 380.488 3.601 20 0 GHADHM C[C@@H](NC(=O)CCc1cccc2ccccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273595 1021298491 /nfs/dbraw/zinc/29/84/91/1021298491.db2.gz WYSQZMWRCPBLFG-JKSUJKDBSA-N -1 3 391.471 3.653 20 0 GHADHM CCCc1sc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1CC ZINC001140273287 1021298506 /nfs/dbraw/zinc/29/85/06/1021298506.db2.gz VZGNAVMDLLKZQY-CHWSQXEVSA-N -1 3 389.521 3.757 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001140273763 1021300428 /nfs/dbraw/zinc/30/04/28/1021300428.db2.gz YCHZNTNYBMIFBH-NEPJUHHUSA-N -1 3 383.448 3.528 20 0 GHADHM C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccc(C(=O)OCc3ccccc3)[n-]2)n1 ZINC000834729465 1021413543 /nfs/dbraw/zinc/41/35/43/1021413543.db2.gz GKLQLSSUGDYLPS-ZDUSSCGKSA-N -1 3 397.431 3.867 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2ccc(C(=O)OCc3ccccc3)[n-]2)n1 ZINC000834729464 1021414015 /nfs/dbraw/zinc/41/40/15/1021414015.db2.gz GKLQLSSUGDYLPS-CYBMUJFWSA-N -1 3 397.431 3.867 20 0 GHADHM C[C@H](CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000901969570 1021470662 /nfs/dbraw/zinc/47/06/62/1021470662.db2.gz LKEXVWNHQVDPTG-ICCXJUOJSA-N -1 3 380.204 3.748 20 0 GHADHM O=C(Nc1ncc(-c2ccccn2)s1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001140419195 1021642053 /nfs/dbraw/zinc/64/20/53/1021642053.db2.gz KEKASWYPVBJKCI-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM COc1ncc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1Cl ZINC000676874630 1021776102 /nfs/dbraw/zinc/77/61/02/1021776102.db2.gz JISLCWMCXFGCNT-UHFFFAOYSA-N -1 3 399.863 3.870 20 0 GHADHM O=S(=O)([N-]C1(CCOCc2ccccc2)CC1)c1cc(F)ccc1Cl ZINC000677660517 1021865859 /nfs/dbraw/zinc/86/58/59/1021865859.db2.gz ZGUXBRVRIADUBC-UHFFFAOYSA-N -1 3 383.872 3.897 20 0 GHADHM CCCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140499676 1021874265 /nfs/dbraw/zinc/87/42/65/1021874265.db2.gz SQHNHBULXFNBFQ-OAHLLOKOSA-N -1 3 379.501 3.551 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2Br)C2(CC2)C1 ZINC001140547842 1021949195 /nfs/dbraw/zinc/94/91/95/1021949195.db2.gz RGHTVEOCEMLHSW-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001228630816 1033020881 /nfs/dbraw/zinc/02/08/81/1033020881.db2.gz UZWCZNBJNYGEIS-UONOGXRCSA-N -1 3 389.448 3.974 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4ncsc4c3)cc2)n1 ZINC000681365114 1022282586 /nfs/dbraw/zinc/28/25/86/1022282586.db2.gz YWTUXQPOPMCBBC-UHFFFAOYSA-N -1 3 384.486 3.900 20 0 GHADHM Cc1cc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)ccc1F ZINC000754016896 1022427567 /nfs/dbraw/zinc/42/75/67/1022427567.db2.gz RTPQPHOQVRKPOO-UHFFFAOYSA-N -1 3 380.422 3.506 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000754478263 1022728595 /nfs/dbraw/zinc/72/85/95/1022728595.db2.gz FZQUODDEYQFGJI-CQSZACIVSA-N -1 3 395.242 3.911 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000754488310 1022733851 /nfs/dbraw/zinc/73/38/51/1022733851.db2.gz OHFLELHDGBUTMK-GFCCVEGCSA-N -1 3 379.243 3.686 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3ccc(C(=O)[O-])o3)C2)CC1 ZINC001140941977 1022935682 /nfs/dbraw/zinc/93/56/82/1022935682.db2.gz DEYQCZXXGBPBMG-UHFFFAOYSA-N -1 3 378.469 3.591 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)C1 ZINC001140993443 1023116041 /nfs/dbraw/zinc/11/60/41/1023116041.db2.gz MKGNSWCMGGWINU-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc([O-])c(F)c1 ZINC000755880933 1023418015 /nfs/dbraw/zinc/41/80/15/1023418015.db2.gz BRHHYLJUUPKPBZ-KRWDZBQOSA-N -1 3 390.436 3.696 20 0 GHADHM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc4sccc4c([O-])c3)c2)C1=O ZINC001156624407 1033136518 /nfs/dbraw/zinc/13/65/18/1033136518.db2.gz BGTWXXOPIDWOBX-HNNXBMFYSA-N -1 3 395.440 3.694 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000756813369 1023824998 /nfs/dbraw/zinc/82/49/98/1023824998.db2.gz QSPKBZMWKCVSNG-VHSXEESVSA-N -1 3 387.274 3.643 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000756929330 1023872057 /nfs/dbraw/zinc/87/20/57/1023872057.db2.gz BTQSEFXHJRZVDM-JTQLQIEISA-N -1 3 380.341 3.819 20 0 GHADHM CC[C@H](CC(F)(F)F)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001138068179 1023982201 /nfs/dbraw/zinc/98/22/01/1023982201.db2.gz VVYSTOQAXDMLPF-SECBINFHSA-N -1 3 391.187 3.751 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000830690341 1024077993 /nfs/dbraw/zinc/07/79/93/1024077993.db2.gz HYLLBDAZNHUBGQ-CQSZACIVSA-N -1 3 392.521 3.728 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000837239041 1024268172 /nfs/dbraw/zinc/26/81/72/1024268172.db2.gz JHOGVZGMRIDSHK-GDBMZVCRSA-N -1 3 376.497 3.578 20 0 GHADHM CCc1cccc(OCC(=O)Nc2ccc(I)cc2[O-])c1 ZINC001138175440 1024303196 /nfs/dbraw/zinc/30/31/96/1024303196.db2.gz QZBXXARLMLWVGQ-UHFFFAOYSA-N -1 3 397.212 3.577 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(I)cc2[O-])c(F)c1F ZINC001138176641 1024306532 /nfs/dbraw/zinc/30/65/32/1024306532.db2.gz NMHWYKANJZNQJU-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000837538342 1024533325 /nfs/dbraw/zinc/53/33/25/1024533325.db2.gz CQTQKSYXIVBHPQ-KGLIPLIRSA-N -1 3 394.349 3.805 20 0 GHADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)s1 ZINC000837552120 1024546599 /nfs/dbraw/zinc/54/65/99/1024546599.db2.gz APJBUMUTJHCCQC-MRVPVSSYSA-N -1 3 383.267 3.731 20 0 GHADHM CC(C)n1cc(Br)cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837551646 1024547760 /nfs/dbraw/zinc/54/77/60/1024547760.db2.gz ZNWAJVZFGOHOSB-UHFFFAOYSA-N -1 3 380.242 3.562 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@H](C(C)C)C1 ZINC001138293032 1024568377 /nfs/dbraw/zinc/56/83/77/1024568377.db2.gz LUVGKXMMSLKWDH-HNNXBMFYSA-N -1 3 395.459 3.501 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc2ccccc2n1CC(F)(F)F ZINC000837688285 1024634606 /nfs/dbraw/zinc/63/46/06/1024634606.db2.gz CCCMGZJFABPSHH-UHFFFAOYSA-N -1 3 391.349 3.934 20 0 GHADHM C[C@H](C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H]1OCCc2sccc21 ZINC000837740747 1024674195 /nfs/dbraw/zinc/67/41/95/1024674195.db2.gz AZJXRHRXAKMZNZ-DJJJIMSYSA-N -1 3 396.468 3.904 20 0 GHADHM CC(C)c1nnc(COC(=O)c2cc(Br)c(F)cc2[O-])s1 ZINC000837779746 1024705021 /nfs/dbraw/zinc/70/50/21/1024705021.db2.gz DSTZGVDTZUHROK-UHFFFAOYSA-N -1 3 375.219 3.626 20 0 GHADHM CC(C)[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1Cl ZINC000838143716 1024943809 /nfs/dbraw/zinc/94/38/09/1024943809.db2.gz YZZZNIOUODTMDR-GOSISDBHSA-N -1 3 379.815 3.934 20 0 GHADHM Cc1nc([C@](C)(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C2CC2)no1 ZINC001141452112 1025090560 /nfs/dbraw/zinc/09/05/60/1025090560.db2.gz ZCEYAMKCVPAIAO-HSZRJFAPSA-N -1 3 391.471 3.924 20 0 GHADHM CCc1ccc(N(CC)C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC001141472539 1025155599 /nfs/dbraw/zinc/15/55/99/1025155599.db2.gz UKSZBYSOSSUWFZ-UHFFFAOYSA-N -1 3 380.897 3.941 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000838557941 1025208944 /nfs/dbraw/zinc/20/89/44/1025208944.db2.gz ACYFDUYXEQDDTL-ZIAGYGMSSA-N -1 3 381.402 3.597 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000832151552 1025262102 /nfs/dbraw/zinc/26/21/02/1025262102.db2.gz IPLQHUSBHJFOID-LBPRGKRZSA-N -1 3 399.270 3.547 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000832151552 1025262118 /nfs/dbraw/zinc/26/21/18/1025262118.db2.gz IPLQHUSBHJFOID-LBPRGKRZSA-N -1 3 399.270 3.547 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000838808551 1025379464 /nfs/dbraw/zinc/37/94/64/1025379464.db2.gz DUKDGAFKCAIMEW-GFCCVEGCSA-N -1 3 385.302 3.501 20 0 GHADHM O=C(Nc1cc2ccccc2oc1=O)c1n[n-]c2c1cccc2OC(F)(F)F ZINC001156867417 1033289827 /nfs/dbraw/zinc/28/98/27/1033289827.db2.gz YQTQICMDWLJZHZ-UHFFFAOYSA-N -1 3 389.289 3.820 20 0 GHADHM COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001162218780 1025674276 /nfs/dbraw/zinc/67/42/76/1025674276.db2.gz XOKRUBULLKDTBD-KRWDZBQOSA-N -1 3 375.465 3.617 20 0 GHADHM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001141615919 1025906530 /nfs/dbraw/zinc/90/65/30/1025906530.db2.gz SOXRENBKUPRZRH-RDGATRHJSA-N -1 3 387.479 3.879 20 0 GHADHM CCc1cc(OCC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)ccc1Cl ZINC001162885117 1025953925 /nfs/dbraw/zinc/95/39/25/1025953925.db2.gz FCSKDOBWIQUJIB-UHFFFAOYSA-N -1 3 379.844 3.598 20 0 GHADHM CCc1cc(OCC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)ccc1Cl ZINC001162885117 1025953926 /nfs/dbraw/zinc/95/39/26/1025953926.db2.gz FCSKDOBWIQUJIB-UHFFFAOYSA-N -1 3 379.844 3.598 20 0 GHADHM CCc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c([O-])c1 ZINC001162927101 1025968964 /nfs/dbraw/zinc/96/89/64/1025968964.db2.gz WYLHTWJCSPFUNM-QLFBSQMISA-N -1 3 376.497 3.813 20 0 GHADHM CCc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)c12 ZINC001162972373 1025993618 /nfs/dbraw/zinc/99/36/18/1025993618.db2.gz HLGZSQYMSFRWAR-UHFFFAOYSA-N -1 3 399.882 3.734 20 0 GHADHM CCOC(=O)[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(C)(C)C ZINC000839523254 1026004402 /nfs/dbraw/zinc/00/44/02/1026004402.db2.gz IOGRFCPSEOINIP-OAHLLOKOSA-N -1 3 389.477 3.724 20 0 GHADHM COc1cccc(CN2CC[C@H](c3cccc(Cl)c3)C2)c1OCC(=O)[O-] ZINC001139271306 1026117173 /nfs/dbraw/zinc/11/71/73/1026117173.db2.gz BJZFWNZSDPTNKB-HNNXBMFYSA-N -1 3 375.852 3.802 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(C(C)=O)c([O-])c3)CC2)cc1 ZINC000839774240 1026258116 /nfs/dbraw/zinc/25/81/16/1026258116.db2.gz NAGNAYUFTXBCGU-JOCHJYFZSA-N -1 3 397.471 3.579 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c2ccccc12 ZINC000839776767 1026260376 /nfs/dbraw/zinc/26/03/76/1026260376.db2.gz MNJZVEKTYOOZFC-CQSZACIVSA-N -1 3 378.394 3.679 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1 ZINC001139431584 1026302692 /nfs/dbraw/zinc/30/26/92/1026302692.db2.gz POCDMHADYLJYPX-INIZCTEOSA-N -1 3 394.537 3.927 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2nc(C)c(Br)s2)cc1 ZINC000833612449 1026599923 /nfs/dbraw/zinc/59/99/23/1026599923.db2.gz RQBMHCDABQOLBF-UHFFFAOYSA-N -1 3 391.237 3.631 20 0 GHADHM O=c1cc(CSc2nccn2Cc2ccccn2)nc(-c2ccccc2)[n-]1 ZINC001165664432 1026787740 /nfs/dbraw/zinc/78/77/40/1026787740.db2.gz RBOVSPPEPKGASN-UHFFFAOYSA-N -1 3 375.457 3.781 20 0 GHADHM O=C(NCc1ccc2occc2c1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001165765672 1026825769 /nfs/dbraw/zinc/82/57/69/1026825769.db2.gz NCOXSIUUEXCIKC-UHFFFAOYSA-N -1 3 397.228 3.967 20 0 GHADHM O=C([N-]C1CCN(Cc2cnc(-c3ccc(F)cc3)s2)CC1)C(F)(F)F ZINC001140095604 1026872345 /nfs/dbraw/zinc/87/23/45/1026872345.db2.gz AAPLZJXQHOVZPC-UHFFFAOYSA-N -1 3 387.402 3.592 20 0 GHADHM O=c1cc(CS(=O)(=O)c2ccccc2C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC001166005580 1026894027 /nfs/dbraw/zinc/89/40/27/1026894027.db2.gz PIOSJLJJDKLRMW-UHFFFAOYSA-N -1 3 394.374 3.842 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(C)ccc2[O-])c(C)cc1Br ZINC001140115623 1026898578 /nfs/dbraw/zinc/89/85/78/1026898578.db2.gz AUENUYXSOORQRP-UHFFFAOYSA-N -1 3 378.222 3.810 20 0 GHADHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N(C)Cc1csc(C(C)C)n1 ZINC001167004045 1027190332 /nfs/dbraw/zinc/19/03/32/1027190332.db2.gz XGGUNZWAITYOLA-UHFFFAOYSA-N -1 3 379.873 3.614 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)cc1F ZINC001209979719 1027300484 /nfs/dbraw/zinc/30/04/84/1027300484.db2.gz SIWPDFVQYZRMRW-UHFFFAOYSA-N -1 3 375.824 3.840 20 0 GHADHM O=S(=O)(C[C@H]1CC[C@@H](C2CC2)O1)[N-]C(c1cccs1)c1cccs1 ZINC001210012415 1027314993 /nfs/dbraw/zinc/31/49/93/1027314993.db2.gz WCSXZNMUUOVKKJ-KGLIPLIRSA-N -1 3 383.560 3.776 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1ccc(Cl)cc1 ZINC001210152016 1027362248 /nfs/dbraw/zinc/36/22/48/1027362248.db2.gz SMDAWEYZHRFHIZ-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001210192422 1027381114 /nfs/dbraw/zinc/38/11/14/1027381114.db2.gz LLDCJTQVFUYIKT-CYBMUJFWSA-N -1 3 385.835 3.578 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CCCCC1 ZINC001210709816 1027615661 /nfs/dbraw/zinc/61/56/61/1027615661.db2.gz BOEXYUPAUUCSAG-CQSZACIVSA-N -1 3 394.320 3.702 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)c1ccc(Cl)c(F)c1 ZINC001211067707 1027774169 /nfs/dbraw/zinc/77/41/69/1027774169.db2.gz IMKIKALEIKRXQR-INIZCTEOSA-N -1 3 391.892 3.583 20 0 GHADHM O=c1cc(-c2nc(-c3cc(Br)cc(F)c3F)no2)nc(C2CC2)[n-]1 ZINC001213261315 1028075295 /nfs/dbraw/zinc/07/52/95/1028075295.db2.gz OOFFHWRJLDDAFI-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC001213368727 1028141065 /nfs/dbraw/zinc/14/10/65/1028141065.db2.gz IPTQGWFFASODID-QGZVFWFLSA-N -1 3 394.487 3.688 20 0 GHADHM [O-]c1c(F)cc(Nc2cnc3c(Cl)nc(Br)cn23)cc1F ZINC001213377719 1028149471 /nfs/dbraw/zinc/14/94/71/1028149471.db2.gz YWIWRTJYGAPRGY-UHFFFAOYSA-N -1 3 375.560 3.873 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001213405307 1028168378 /nfs/dbraw/zinc/16/83/78/1028168378.db2.gz QSKRVQSUALATJR-PBHICJAKSA-N -1 3 396.915 3.668 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(C(F)(F)F)nc1 ZINC001213597762 1028287307 /nfs/dbraw/zinc/28/73/07/1028287307.db2.gz JQXYNJVTEZQTOI-ZETCQYMHSA-N -1 3 384.301 3.557 20 0 GHADHM COc1c(Br)cc(F)cc1-c1noc(-c2nc(C)ccc2[O-])n1 ZINC001213699264 1028338257 /nfs/dbraw/zinc/33/82/57/1028338257.db2.gz AJEKAVSRRZBRCX-UHFFFAOYSA-N -1 3 380.173 3.723 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)c1cccc2ccccc21 ZINC001213738140 1028356699 /nfs/dbraw/zinc/35/66/99/1028356699.db2.gz UPJHTSKXERIBJS-LJQANCHMSA-N -1 3 387.501 3.554 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@]1(C)CCOc2ccccc21 ZINC001213834350 1028397967 /nfs/dbraw/zinc/39/79/67/1028397967.db2.gz FOTGEFAMKBXCLK-IBGZPJMESA-N -1 3 375.421 3.857 20 0 GHADHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142258502 1028508539 /nfs/dbraw/zinc/50/85/39/1028508539.db2.gz HSIYOUFKKJKOOG-LHSJRXKWSA-N -1 3 398.409 3.704 20 0 GHADHM COc1cccc(SC)c1[N-]C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000841373966 1028520667 /nfs/dbraw/zinc/52/06/67/1028520667.db2.gz NFUBRGPGSUTNAA-UHFFFAOYSA-N -1 3 390.465 3.806 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)cc1F ZINC001214048496 1028522888 /nfs/dbraw/zinc/52/28/88/1028522888.db2.gz KUKMHIUVLDBXLA-KGLIPLIRSA-N -1 3 398.297 3.745 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nccs2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001214321504 1028671352 /nfs/dbraw/zinc/67/13/52/1028671352.db2.gz MIGCVVSMAQGMQN-QMMMGPOBSA-N -1 3 382.371 3.830 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c([O-])c1)N(C(=O)OC(C)(C)C)c1cccnc1 ZINC001142413983 1028845694 /nfs/dbraw/zinc/84/56/94/1028845694.db2.gz KTZGBOQILFDYBM-LBPRGKRZSA-N -1 3 375.400 3.695 20 0 GHADHM O=C([O-])CCCCCCNCc1ccc(F)cc1I ZINC000841794865 1028942213 /nfs/dbraw/zinc/94/22/13/1028942213.db2.gz LOMBXMZIYBBBOY-UHFFFAOYSA-N -1 3 379.213 3.555 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](C)N3CCC(C)CC3)n2)cc1 ZINC001142553165 1029053175 /nfs/dbraw/zinc/05/31/75/1029053175.db2.gz ZADOJYCQTIQMLK-KRWDZBQOSA-N -1 3 384.524 3.552 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Oc2ccncc2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001215244137 1029111384 /nfs/dbraw/zinc/11/13/84/1029111384.db2.gz NBUFUEQXHSLUSM-JTQLQIEISA-N -1 3 392.341 3.894 20 0 GHADHM [O-]c1cc(O)ccc1-c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001215300354 1029139227 /nfs/dbraw/zinc/13/92/27/1029139227.db2.gz WDVUVBKBFQTECG-QGZVFWFLSA-N -1 3 378.363 3.686 20 0 GHADHM Cc1cc(N(c2ncccc2C)S(=O)(=O)c2ccc(N)cc2)cc([O-])c1F ZINC001216083462 1029518748 /nfs/dbraw/zinc/51/87/48/1029518748.db2.gz QILMLOVIHLWUTM-UHFFFAOYSA-N -1 3 387.436 3.652 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)cc(N(CC)CC)c1)OCC ZINC001216182220 1029557975 /nfs/dbraw/zinc/55/79/75/1029557975.db2.gz DCRRZPQRWRIUIN-UHFFFAOYSA-N -1 3 392.475 3.853 20 0 GHADHM COc1ccc(-c2noc(-c3c([O-])cc(C)cc3O)n2)c(Br)c1 ZINC001216267268 1029589300 /nfs/dbraw/zinc/58/93/00/1029589300.db2.gz FTRGWMIYFRGUBR-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM Cc1cc([O-])c(-c2nc(-c3ccc([C@H]4CCc5cncn54)c(F)c3)no2)c(O)c1 ZINC001216272098 1029590466 /nfs/dbraw/zinc/59/04/66/1029590466.db2.gz OFCPURZPCONYQC-MRXNPFEDSA-N -1 3 392.390 3.994 20 0 GHADHM CCOC(=O)c1nsc(C(=O)OC)c1[N-]c1c(Cl)ccnc1Cl ZINC001216301424 1029599048 /nfs/dbraw/zinc/59/90/48/1029599048.db2.gz NLFLWGQKHSFGRC-UHFFFAOYSA-N -1 3 376.221 3.552 20 0 GHADHM CCOC(=O)[C@H](C)n1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001216688579 1029730383 /nfs/dbraw/zinc/73/03/83/1029730383.db2.gz HVKCQEGKLAEAQJ-VIFPVBQESA-N -1 3 379.214 3.655 20 0 GHADHM Cc1cc(Br)c(-c2noc(-c3c([O-])cc(O)cc3O)n2)cc1F ZINC001216728898 1029907652 /nfs/dbraw/zinc/90/76/52/1029907652.db2.gz RVWMUZMTTJYOPV-UHFFFAOYSA-N -1 3 381.157 3.730 20 0 GHADHM COc1ccc(-c2nc(-c3ccc4c(c3)OC(C)(C)CC4=O)no2)c([O-])c1OC ZINC001216765812 1029924364 /nfs/dbraw/zinc/92/43/64/1029924364.db2.gz WJAMURWAAKDCQZ-UHFFFAOYSA-N -1 3 396.399 3.870 20 0 GHADHM COc1ccc(-c2nc(-c3cncc(Br)c3C)no2)c([O-])c1OC ZINC001216765565 1029924678 /nfs/dbraw/zinc/92/46/78/1029924678.db2.gz QFIMPFVOXYLXMB-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001216958641 1030030966 /nfs/dbraw/zinc/03/09/66/1030030966.db2.gz JMVUYOFTHLPWKY-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM COc1cc(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc(C(F)(F)F)c1 ZINC001216958019 1030031524 /nfs/dbraw/zinc/03/15/24/1030031524.db2.gz CATFZGLFHKFELO-UHFFFAOYSA-N -1 3 396.321 3.508 20 0 GHADHM COc1ccc(Cl)cc1-c1noc(-c2cccc(C(=O)[N-]C(C)=O)c2C)n1 ZINC001216962524 1030036422 /nfs/dbraw/zinc/03/64/22/1030036422.db2.gz VCMHKSRZPGWLHE-UHFFFAOYSA-N -1 3 385.807 3.650 20 0 GHADHM CCCOc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc1 ZINC001217018250 1030094971 /nfs/dbraw/zinc/09/49/71/1030094971.db2.gz MVMBIPGSCWFPMI-UHFFFAOYSA-N -1 3 391.424 3.703 20 0 GHADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC001149241534 1030101522 /nfs/dbraw/zinc/10/15/22/1030101522.db2.gz LOJBFZHWXVMDAH-RULNZOCKSA-N -1 3 396.306 3.725 20 0 GHADHM Cc1nc2ncccc2cc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001149556542 1030222499 /nfs/dbraw/zinc/22/24/99/1030222499.db2.gz PCLGKBLBMIXHJB-UHFFFAOYSA-N -1 3 379.416 3.851 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1 ZINC001149642924 1030250417 /nfs/dbraw/zinc/25/04/17/1030250417.db2.gz VFWADFMAAXJYFD-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM CCCN1CCc2c(N)sc(NC(=O)c3cc4cccc(O)c4cc3[O-])c2C1 ZINC001149651290 1030256291 /nfs/dbraw/zinc/25/62/91/1030256291.db2.gz WGYYVVRYKDGENK-UHFFFAOYSA-N -1 3 397.500 3.915 20 0 GHADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001149789155 1030305104 /nfs/dbraw/zinc/30/51/04/1030305104.db2.gz IESUGVDBVLMVBN-UHFFFAOYSA-N -1 3 398.850 3.617 20 0 GHADHM Brc1ccc2[n-]c(-c3nc(-c4ccc5c(c4)OCCO5)no3)nc2c1 ZINC001217322241 1030308852 /nfs/dbraw/zinc/30/88/52/1030308852.db2.gz VPYXWESTBRXBBK-UHFFFAOYSA-N -1 3 399.204 3.814 20 0 GHADHM Brc1ccc2nc(-c3nc(-c4ccc5c(c4)OCCO5)no3)[n-]c2c1 ZINC001217322241 1030308869 /nfs/dbraw/zinc/30/88/69/1030308869.db2.gz VPYXWESTBRXBBK-UHFFFAOYSA-N -1 3 399.204 3.814 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(C(F)(F)F)cc3F)no2)C1=O ZINC001217354277 1030329615 /nfs/dbraw/zinc/32/96/15/1030329615.db2.gz CEFOGAJHNKYGQV-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cc(F)c(Cl)cc3Cl)no2)C1=O ZINC001217355093 1030331583 /nfs/dbraw/zinc/33/15/83/1030331583.db2.gz OXGUNWXEQVPTTJ-UHFFFAOYSA-N -1 3 378.146 3.984 20 0 GHADHM C[C@@H](CC1CCC1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001149932480 1030350287 /nfs/dbraw/zinc/35/02/87/1030350287.db2.gz RMBZZGKWMGPLFP-HRAATJIYSA-N -1 3 380.488 3.948 20 0 GHADHM Cc1ccc2ncc([O-])c(-c3nc(-c4ccc(N5CCOCC5)cc4)no3)c2c1 ZINC001217500279 1030443896 /nfs/dbraw/zinc/44/38/96/1030443896.db2.gz BYXDPAMOMWXLSW-UHFFFAOYSA-N -1 3 388.427 3.802 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001150463972 1030533443 /nfs/dbraw/zinc/53/34/43/1030533443.db2.gz BVHVRMZYANDMDP-BLLLJJGKSA-N -1 3 392.377 3.521 20 0 GHADHM O=C(Nc1cc(=O)[nH]c(Cl)c1)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150464632 1030534024 /nfs/dbraw/zinc/53/40/24/1030534024.db2.gz TXTQZABEWOTFBW-UHFFFAOYSA-N -1 3 383.713 3.553 20 0 GHADHM C[C@@H](CCCC(C)(C)O)NC(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476347 1030538876 /nfs/dbraw/zinc/53/88/76/1030538876.db2.gz GYDZATINAUIGMF-NSHDSACASA-N -1 3 384.398 3.606 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1oc2ccccc2c1CO ZINC001151059243 1030760289 /nfs/dbraw/zinc/76/02/89/1030760289.db2.gz AOWSNUGHKNPABB-UHFFFAOYSA-N -1 3 387.367 3.974 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)nc(Br)c1 ZINC001151093618 1030769194 /nfs/dbraw/zinc/76/91/94/1030769194.db2.gz YNDWUHMCRKFART-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM O=c1c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218144988 1030795733 /nfs/dbraw/zinc/79/57/33/1030795733.db2.gz FREFGELJNCSBLK-UWWQBHOKSA-N -1 3 393.439 3.638 20 0 GHADHM O=C(Nc1ccc2nc(OC3CC(O)C3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001218257688 1030858572 /nfs/dbraw/zinc/85/85/72/1030858572.db2.gz ZOHMIOKGMVDIOO-UHFFFAOYSA-N -1 3 389.411 3.576 20 0 GHADHM COc1ccc(C(=O)NCC(C)(C)c2ccccc2Br)c([O-])c1 ZINC001151438017 1030909302 /nfs/dbraw/zinc/90/93/02/1030909302.db2.gz SWZWJDLPPPCEHU-UHFFFAOYSA-N -1 3 378.266 3.871 20 0 GHADHM O=C(Nc1cnc(Cl)nc1Cl)c1nc2cc(Br)ccc2[n-]1 ZINC001151821917 1031019031 /nfs/dbraw/zinc/01/90/31/1031019031.db2.gz YRGJIJNUULSQSE-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM O=C(Nc1cnc(Cl)nc1Cl)c1nc2ccc(Br)cc2[n-]1 ZINC001151821917 1031019044 /nfs/dbraw/zinc/01/90/44/1031019044.db2.gz YRGJIJNUULSQSE-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)cc(OC)c1[O-] ZINC001152157940 1031126675 /nfs/dbraw/zinc/12/66/75/1031126675.db2.gz JXALWOXMPSYICO-NRFANRHFSA-N -1 3 391.414 3.925 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cc2ccc3cccnc3c2[nH]1 ZINC001152294546 1031177966 /nfs/dbraw/zinc/17/79/66/1031177966.db2.gz SAJHYEKETJUUQS-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM COCCn1ccc2ccc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)cc21 ZINC001152563946 1031282571 /nfs/dbraw/zinc/28/25/71/1031282571.db2.gz ZCPFEZVCHVXIBS-UHFFFAOYSA-N -1 3 397.381 3.660 20 0 GHADHM CC1(C)CC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(C)(C)C1 ZINC001152651015 1031316083 /nfs/dbraw/zinc/31/60/83/1031316083.db2.gz FVTJNWIZZHYVMU-UHFFFAOYSA-N -1 3 396.528 3.601 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc2ccccc2cc1OC ZINC001152799708 1031360946 /nfs/dbraw/zinc/36/09/46/1031360946.db2.gz FITKWLIVTFLAFI-UHFFFAOYSA-N -1 3 391.383 3.814 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c1 ZINC001152836130 1031373847 /nfs/dbraw/zinc/37/38/47/1031373847.db2.gz HZOIBFVEWXSEPY-MRXNPFEDSA-N -1 3 389.864 3.978 20 0 GHADHM CCCc1nc2cc(C(=O)Nc3cc(F)c([O-])cc3C(=O)OC)cc(C)c2[nH]1 ZINC001153452872 1031597542 /nfs/dbraw/zinc/59/75/42/1031597542.db2.gz RUPYCDLORXYRHP-UHFFFAOYSA-N -1 3 385.395 3.707 20 0 GHADHM O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)c1c([O-])ccc2ccccc21 ZINC001153509849 1031625205 /nfs/dbraw/zinc/62/52/05/1031625205.db2.gz GKUYJWBFZOXMGM-GOSISDBHSA-N -1 3 388.467 3.714 20 0 GHADHM COc1ccccc1Cn1cncc1CNC(=O)c1c([O-])ccc2ccccc21 ZINC001153509878 1031625426 /nfs/dbraw/zinc/62/54/26/1031625426.db2.gz GOGGNADXAADPHU-UHFFFAOYSA-N -1 3 387.439 3.729 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225851449 1031650953 /nfs/dbraw/zinc/65/09/53/1031650953.db2.gz WWCXRZLDLVDEEL-VHSXEESVSA-N -1 3 393.431 3.808 20 0 GHADHM O=C(c1ccccn1)[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccn1 ZINC001225855051 1031654452 /nfs/dbraw/zinc/65/44/52/1031654452.db2.gz YCDYUQAVACMNMY-HNNXBMFYSA-N -1 3 392.362 3.577 20 0 GHADHM O=C(NCCc1cccc(Oc2ccccc2)c1)c1cnc2cccnc2c1[O-] ZINC001153860037 1031777068 /nfs/dbraw/zinc/77/70/68/1031777068.db2.gz HZGCJHZUHMYCBU-UHFFFAOYSA-N -1 3 385.423 3.688 20 0 GHADHM C[C@]1(F)CCCCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)C1 ZINC001153874022 1031786493 /nfs/dbraw/zinc/78/64/93/1031786493.db2.gz OTLYEDLPMGEXSG-KRWDZBQOSA-N -1 3 381.245 3.645 20 0 GHADHM CC1(C)CCC(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)CC1 ZINC001153880215 1031790260 /nfs/dbraw/zinc/79/02/60/1031790260.db2.gz DMMHWNYNJNXRRH-UHFFFAOYSA-N -1 3 377.282 3.989 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]c(=S)ncc2C2CC2)[C@H](F)C1 ZINC001226116317 1031796230 /nfs/dbraw/zinc/79/62/30/1031796230.db2.gz AOGHMJOAPQFYSM-KGLIPLIRSA-N -1 3 383.489 3.759 20 0 GHADHM S=c1ncc(C2CC2)c(O[C@@H]2CCCN(Cc3cnc(Cl)s3)C2)[n-]1 ZINC001226118491 1031796983 /nfs/dbraw/zinc/79/69/83/1031796983.db2.gz GPDNMKUDASQDMI-LLVKDONJSA-N -1 3 382.942 3.796 20 0 GHADHM O=C(Nc1ncc(Br)[n-]c1=O)c1ccc2oc3ccccc3c2c1 ZINC001153947432 1031832763 /nfs/dbraw/zinc/83/27/63/1031832763.db2.gz VVAHIMSVOUCEHM-UHFFFAOYSA-N -1 3 384.189 3.684 20 0 GHADHM O=C(c1ccc(Br)cc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001153975904 1031849877 /nfs/dbraw/zinc/84/98/77/1031849877.db2.gz KTWFXWIEQNZRSV-UHFFFAOYSA-N -1 3 394.656 3.632 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(C(=O)c2c(O)cc3ccccc3c2[O-])C1 ZINC001154026348 1031883255 /nfs/dbraw/zinc/88/32/55/1031883255.db2.gz LIHFLNRGLFTMLC-MRXNPFEDSA-N -1 3 393.439 3.943 20 0 GHADHM COC(=O)[C@@H]1CCc2cc(NC(=O)c3c([O-])cc4ccccc4c3O)ccc21 ZINC001154027873 1031885139 /nfs/dbraw/zinc/88/51/39/1031885139.db2.gz FXLAXKAGXACKJT-QGZVFWFLSA-N -1 3 377.396 3.706 20 0 GHADHM COC(=O)c1cnc2ccc(NC(=O)c3c([O-])cc4ccccc4c3O)cc2c1 ZINC001154028224 1031886110 /nfs/dbraw/zinc/88/61/10/1031886110.db2.gz UGMQFFPZQVNJEQ-UHFFFAOYSA-N -1 3 388.379 3.838 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1C[C@]1(F)c1ccccc1 ZINC001154104544 1031928090 /nfs/dbraw/zinc/92/80/90/1031928090.db2.gz SAZQWIBNHPTVOH-WBMJQRKESA-N -1 3 397.187 3.820 20 0 GHADHM CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154114304 1031934841 /nfs/dbraw/zinc/93/48/41/1031934841.db2.gz BSJDOWIMEHHELT-NYHFZMIOSA-N -1 3 386.492 3.940 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCc3cc4cc(Cl)ccc4[nH]3)[n-]c2c1 ZINC001154119843 1031936848 /nfs/dbraw/zinc/93/68/48/1031936848.db2.gz TUNYCIOASGCGTM-UHFFFAOYSA-N -1 3 381.819 3.601 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNCc1cccc([O-])c1Br)C1CC1 ZINC000315317976 1031948240 /nfs/dbraw/zinc/94/82/40/1031948240.db2.gz HDIPHJNYHRCMRW-ZDUSSCGKSA-N -1 3 385.302 3.548 20 0 GHADHM CCN(CC)c1ccc(NC(=O)c2[n-]nc3c2cccc3C(=O)OC)c(C)c1 ZINC001154147337 1031951120 /nfs/dbraw/zinc/95/11/20/1031951120.db2.gz UKTKHTLYJJKFHV-UHFFFAOYSA-N -1 3 380.448 3.756 20 0 GHADHM CCN(CC)c1ccc(NC(=O)c2n[n-]c3c2cccc3C(=O)OC)c(C)c1 ZINC001154147337 1031951124 /nfs/dbraw/zinc/95/11/24/1031951124.db2.gz UKTKHTLYJJKFHV-UHFFFAOYSA-N -1 3 380.448 3.756 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001461827533 1069775599 /nfs/dbraw/zinc/77/55/99/1069775599.db2.gz NWNQYWRJHUQECM-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001461827533 1069775609 /nfs/dbraw/zinc/77/56/09/1069775609.db2.gz NWNQYWRJHUQECM-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154204924 1031984503 /nfs/dbraw/zinc/98/45/03/1031984503.db2.gz WXWVQSDHMVNJOG-UHFFFAOYSA-N -1 3 386.314 3.777 20 0 GHADHM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccn1)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209755 1031986281 /nfs/dbraw/zinc/98/62/81/1031986281.db2.gz RGNABCKFVBYNLW-UHFFFAOYSA-N -1 3 392.802 3.800 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)cc12 ZINC001226532238 1031998713 /nfs/dbraw/zinc/99/87/13/1031998713.db2.gz QESKUGITXJYFKO-ZFWWWQNUSA-N -1 3 393.411 3.533 20 0 GHADHM CS(=O)(=O)c1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cc1Cl ZINC001154249115 1032003743 /nfs/dbraw/zinc/00/37/43/1032003743.db2.gz HWZPDPMCLMGJTM-UHFFFAOYSA-N -1 3 395.889 3.594 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596504 1032032761 /nfs/dbraw/zinc/03/27/61/1032032761.db2.gz LEPJPWKQECSIBR-HIFRSBDPSA-N -1 3 393.411 3.615 20 0 GHADHM Cc1cc(Oc2ccccc2)ncc1NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154312455 1032036864 /nfs/dbraw/zinc/03/68/64/1032036864.db2.gz AUCZOMVXNZMIGH-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM Cc1cc(Oc2ccccc2)ncc1NC(=O)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC001154312455 1032036881 /nfs/dbraw/zinc/03/68/81/1032036881.db2.gz AUCZOMVXNZMIGH-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001156971497 1033347740 /nfs/dbraw/zinc/34/77/40/1033347740.db2.gz UOZWCOIFSVMFET-MOPGFXCFSA-N -1 3 380.488 3.663 20 0 GHADHM COC[C@H](C)OC[C@@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267143 1033380636 /nfs/dbraw/zinc/38/06/36/1033380636.db2.gz IZKQMDNIAANMDU-LSDHHAIUSA-N -1 3 384.428 3.984 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2cnc(Cl)c(-c3ccco3)c2)c1[O-] ZINC001157036140 1033381476 /nfs/dbraw/zinc/38/14/76/1033381476.db2.gz HKWAWGMUFNWDHW-UHFFFAOYSA-N -1 3 395.793 3.735 20 0 GHADHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCN(C(=O)OC(C)(C)C)C(=O)C3)c12 ZINC001229353546 1033433666 /nfs/dbraw/zinc/43/36/66/1033433666.db2.gz PNPCJVGFLOHYLK-JTQLQIEISA-N -1 3 395.506 3.593 20 0 GHADHM C[C@@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157235083 1033487325 /nfs/dbraw/zinc/48/73/25/1033487325.db2.gz UGJQPQOSWLFNGL-SSDOTTSWSA-N -1 3 397.184 3.777 20 0 GHADHM COc1ccc([C@@H]2CC(=O)c3c(O[C@H]4CCCN(C)C4)cc([O-])cc3O2)cc1 ZINC001229463969 1033496685 /nfs/dbraw/zinc/49/66/85/1033496685.db2.gz LNQDEOJYQOWYPB-HKUYNNGSSA-N -1 3 383.444 3.580 20 0 GHADHM FC(F)(F)c1n[nH]c2c1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001157348237 1033549060 /nfs/dbraw/zinc/54/90/60/1033549060.db2.gz VCJLQGXYTNXYQO-SECBINFHSA-N -1 3 385.749 3.825 20 0 GHADHM [O-]c1ccc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c(F)c1 ZINC001206038021 1033696531 /nfs/dbraw/zinc/69/65/31/1033696531.db2.gz PNOFDMSSJHUNMO-UHFFFAOYSA-N -1 3 399.491 3.914 20 0 GHADHM [O-]c1ccc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c(F)c1 ZINC001206037373 1033697314 /nfs/dbraw/zinc/69/73/14/1033697314.db2.gz GLZABWFKZRHBLP-UHFFFAOYSA-N -1 3 385.464 3.524 20 0 GHADHM COc1cccc([C@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)c1 ZINC001230189602 1033935909 /nfs/dbraw/zinc/93/59/09/1033935909.db2.gz UODDOIBTGBDDPU-INIZCTEOSA-N -1 3 391.471 3.889 20 0 GHADHM C[C@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1cccnc1Cl ZINC001230188745 1033936550 /nfs/dbraw/zinc/93/65/50/1033936550.db2.gz NGGNOFSYSOWWRX-AWEZNQCLSA-N -1 3 396.878 3.929 20 0 GHADHM C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1cccnc1Cl ZINC001230188769 1033936642 /nfs/dbraw/zinc/93/66/42/1033936642.db2.gz NGGNOFSYSOWWRX-CQSZACIVSA-N -1 3 396.878 3.929 20 0 GHADHM O=c1nc(O[C@H](c2cccnc2)C2CC2)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230186809 1033936698 /nfs/dbraw/zinc/93/66/98/1033936698.db2.gz ROSLNVRQCHAMPQ-NRFANRHFSA-N -1 3 388.471 3.666 20 0 GHADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(F)c1 ZINC001158366396 1034045145 /nfs/dbraw/zinc/04/51/45/1034045145.db2.gz JAUGFSUGMOHIDI-UHFFFAOYSA-N -1 3 386.832 3.589 20 0 GHADHM Cc1[nH]c(=O)c(CNC(F)(F)c2cc(Cl)nc(=S)[n-]2)c2c1CCCC2 ZINC001158495004 1034110930 /nfs/dbraw/zinc/11/09/30/1034110930.db2.gz VVTSFWUIVKOSBS-UHFFFAOYSA-N -1 3 386.855 3.546 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1[n-]c(=O)nc2c1SCC2)c1ccccc1 ZINC001230789830 1034226154 /nfs/dbraw/zinc/22/61/54/1034226154.db2.gz DGFGNDWAELABEZ-QGZVFWFLSA-N -1 3 394.452 3.694 20 0 GHADHM C[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001230885553 1034270101 /nfs/dbraw/zinc/27/01/01/1034270101.db2.gz LWNQVFUHHLYFED-JTQLQIEISA-N -1 3 379.844 3.623 20 0 GHADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1c[nH]c2ccccc21 ZINC001158792692 1034272260 /nfs/dbraw/zinc/27/22/60/1034272260.db2.gz KRRSJANWGUHATE-JYJNAYRXSA-N -1 3 378.476 4.000 20 0 GHADHM Cc1cc(S(=O)(=O)c2cc(C)c(O[C@@H]3COC[C@H]3F)c(C)c2)cc(C)c1[O-] ZINC001231196418 1034457525 /nfs/dbraw/zinc/45/75/25/1034457525.db2.gz PPPWMPIGPPNUSH-QZTJIDSGSA-N -1 3 394.464 3.574 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231522952 1034673327 /nfs/dbraw/zinc/67/33/27/1034673327.db2.gz MJQHGHQQSSVTHM-UHFFFAOYSA-N -1 3 386.414 3.996 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231522932 1034673370 /nfs/dbraw/zinc/67/33/70/1034673370.db2.gz MEBTYXISMCJVAY-OKILXGFUSA-N -1 3 386.414 3.995 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523806 1034675150 /nfs/dbraw/zinc/67/51/50/1034675150.db2.gz YVVFZZCPNRVXHE-HUUCEWRRSA-N -1 3 386.414 3.995 20 0 GHADHM O=C(c1ccccc1)N1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231525857 1034679043 /nfs/dbraw/zinc/67/90/43/1034679043.db2.gz ITMNISDRBPCMFJ-UHFFFAOYSA-N -1 3 378.394 3.759 20 0 GHADHM O=S(=O)([N-]CCCOCc1ccccc1)c1cnc(-c2ccccc2)s1 ZINC001208069524 1034725533 /nfs/dbraw/zinc/72/55/33/1034725533.db2.gz XKMYFUSXCAUGLM-UHFFFAOYSA-N -1 3 388.514 3.695 20 0 GHADHM Cc1cccc2cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c(Cl)nc12 ZINC001231648919 1034807328 /nfs/dbraw/zinc/80/73/28/1034807328.db2.gz HVTYLWIKTADHEH-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)cc1F ZINC001208229498 1034818040 /nfs/dbraw/zinc/81/80/40/1034818040.db2.gz SVTFHCBYURYKFU-JTQLQIEISA-N -1 3 377.359 3.914 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)cc1F ZINC001208286115 1034848044 /nfs/dbraw/zinc/84/80/44/1034848044.db2.gz ZPDIVEQQLDFHFM-SNVBAGLBSA-N -1 3 377.359 3.914 20 0 GHADHM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001160104717 1034861720 /nfs/dbraw/zinc/86/17/20/1034861720.db2.gz SYGOUZHXEJQLQP-QFIPXVFZSA-N -1 3 389.495 3.853 20 0 GHADHM CN(Cc1ccco1)[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)C[C@@H]2CCCO[C@H]12 ZINC001231730125 1034867646 /nfs/dbraw/zinc/86/76/46/1034867646.db2.gz FDDOZOCOVAHZFT-SCWSEQNSSA-N -1 3 390.911 3.750 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC001208518902 1034922536 /nfs/dbraw/zinc/92/25/36/1034922536.db2.gz IEJRJMIUDYUNKN-UHFFFAOYSA-N -1 3 391.295 3.937 20 0 GHADHM Cc1ncc(Br)cc1CNC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001160452641 1034979053 /nfs/dbraw/zinc/97/90/53/1034979053.db2.gz QOBMNKHIJGGPMS-UHFFFAOYSA-N -1 3 395.660 3.724 20 0 GHADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001160496364 1034989451 /nfs/dbraw/zinc/98/94/51/1034989451.db2.gz PVPGXKKEOXEQBL-GOSISDBHSA-N -1 3 380.350 3.919 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)c1cc(Br)cc(F)c1[O-])c1ccco1 ZINC001161305377 1035206147 /nfs/dbraw/zinc/20/61/47/1035206147.db2.gz MQQDGFJNIPLTEU-IINYFYTJSA-N -1 3 399.260 3.746 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c(F)cc1Br ZINC001209288921 1035232751 /nfs/dbraw/zinc/23/27/51/1035232751.db2.gz KHKXWAKHYDIAIF-JTQLQIEISA-N -1 3 392.315 3.868 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)CCC2CCCCC2)c1 ZINC001209620346 1035332782 /nfs/dbraw/zinc/33/27/82/1035332782.db2.gz HSBHIUZFQXKGNR-CQSZACIVSA-N -1 3 385.501 3.948 20 0 GHADHM COc1cc(-c2noc(Cc3ccc([O-])cc3F)n2)ccc1-n1cnc(C)c1 ZINC001248142596 1035562013 /nfs/dbraw/zinc/56/20/13/1035562013.db2.gz TXFMAMYBYWYGOK-UHFFFAOYSA-N -1 3 380.379 3.675 20 0 GHADHM CCN1CCc2ccc(-c3noc([C@@H](N)Cc4ccc([O-])c(Cl)c4)n3)cc21 ZINC001248249792 1035697475 /nfs/dbraw/zinc/69/74/75/1035697475.db2.gz OYPFCYSJEISDAN-INIZCTEOSA-N -1 3 384.867 3.721 20 0 GHADHM CON(C)C(=O)[C@H]1CCc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc2O1 ZINC001242169043 1035844461 /nfs/dbraw/zinc/84/44/61/1035844461.db2.gz ZUVPQAUNFDTNON-QGZVFWFLSA-N -1 3 381.350 3.791 20 0 GHADHM O=c1cnc(-c2ccc(OC(F)(F)F)cc2[O-])cn1Cc1ccc(F)cc1 ZINC001244468007 1036515840 /nfs/dbraw/zinc/51/58/40/1036515840.db2.gz SICRRSFLHBHDGQ-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM COc1cc(NC(=S)Nc2c([O-])cccc2Br)cc(OC)c1 ZINC001244975988 1036721063 /nfs/dbraw/zinc/72/10/63/1036721063.db2.gz SLIZIHDYRXTSCZ-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM CS(=O)(=O)c1ccc(Oc2ccnc(-c3ccc([O-])cc3Cl)n2)cc1 ZINC001245078867 1036757140 /nfs/dbraw/zinc/75/71/40/1036757140.db2.gz LRGULWSDPRPMNP-UHFFFAOYSA-N -1 3 376.821 3.698 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(-c4ccc(C(=O)OC)cc4)cc3)ccc2[n-]1 ZINC001245667229 1036969864 /nfs/dbraw/zinc/96/98/64/1036969864.db2.gz FPJWBDIBQJRYTR-UHFFFAOYSA-N -1 3 387.395 3.817 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(-c4ccc(C(=O)OC)cc4)cc3)nc2[n-]1 ZINC001245667229 1036969869 /nfs/dbraw/zinc/96/98/69/1036969869.db2.gz FPJWBDIBQJRYTR-UHFFFAOYSA-N -1 3 387.395 3.817 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(-c4ccc(C(=O)OC)cc4)cc3)[n-]c-2n1 ZINC001245667229 1036969872 /nfs/dbraw/zinc/96/98/72/1036969872.db2.gz FPJWBDIBQJRYTR-UHFFFAOYSA-N -1 3 387.395 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3ccc(F)c([O-])c3F)CC2)C1 ZINC001232933255 1038715025 /nfs/dbraw/zinc/71/50/25/1038715025.db2.gz GWYWEIPDUWDNFC-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM [O-]c1c(F)ccc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)c1F ZINC001232935129 1038716222 /nfs/dbraw/zinc/71/62/22/1038716222.db2.gz GWBCQPMKMMKZFY-UHFFFAOYSA-N -1 3 388.458 3.537 20 0 GHADHM [O-]c1cc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)cc(F)c1F ZINC001232970368 1038741955 /nfs/dbraw/zinc/74/19/55/1038741955.db2.gz PYOGXWJUUXESNB-KRWDZBQOSA-N -1 3 381.463 3.716 20 0 GHADHM [O-]c1cccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1F ZINC001233051597 1038809550 /nfs/dbraw/zinc/80/95/50/1038809550.db2.gz WFRPCGFWFUUYKK-PGRDOPGGSA-N -1 3 386.467 3.514 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2F)[C@H](C(F)(F)F)C1 ZINC001233055142 1038814086 /nfs/dbraw/zinc/81/40/86/1038814086.db2.gz LBCVFUGOZMBAFH-ZDUSSCGKSA-N -1 3 378.366 3.515 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1c(F)ccc([O-])c1F ZINC001233396192 1039231164 /nfs/dbraw/zinc/23/11/64/1039231164.db2.gz OONSUVMYNBUTJS-VBQJREDUSA-N -1 3 380.479 3.966 20 0 GHADHM COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(Cl)c1[O-] ZINC001233397557 1039233142 /nfs/dbraw/zinc/23/31/42/1039233142.db2.gz FAABJBONLLNRFM-ZDUSSCGKSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCc3nc(Br)sc3C2)c(Cl)c1[O-] ZINC001233400338 1039240470 /nfs/dbraw/zinc/24/04/70/1039240470.db2.gz DVZBDWGCJWSTJB-UHFFFAOYSA-N -1 3 389.702 3.832 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C ZINC001233591543 1039463277 /nfs/dbraw/zinc/46/32/77/1039463277.db2.gz GYSQUOVJIOSZTH-QRTARXTBSA-N -1 3 383.872 3.900 20 0 GHADHM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC001253679916 1039762509 /nfs/dbraw/zinc/76/25/09/1039762509.db2.gz YKWSLHZHSXDASD-WBVHZDCISA-N -1 3 384.348 3.757 20 0 GHADHM CCCCS(=O)(=O)[N-]c1cc(C)c(NC(=O)c2ccccc2)cc1OC ZINC001253855581 1039864590 /nfs/dbraw/zinc/86/45/90/1039864590.db2.gz OPFRMZVOSQTTEK-UHFFFAOYSA-N -1 3 376.478 3.798 20 0 GHADHM CC(C)N1CC[C@H](Oc2cc3c(=O)c(-c4ccc(O)cc4)coc3cc2[O-])C1 ZINC001234144513 1039883197 /nfs/dbraw/zinc/88/31/97/1039883197.db2.gz LDAROKQNBMJKIO-INIZCTEOSA-N -1 3 381.428 3.733 20 0 GHADHM [O-]c1ccc(Cl)c(OC[C@@H]2OCCc3cn(Cc4ccncc4)nc32)c1F ZINC001234266141 1039945411 /nfs/dbraw/zinc/94/54/11/1039945411.db2.gz YYEQDWFHGGZZCW-INIZCTEOSA-N -1 3 389.814 3.517 20 0 GHADHM COc1cc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc(Cl)c1[O-] ZINC001254181948 1040029294 /nfs/dbraw/zinc/02/92/94/1040029294.db2.gz JVZFYTGWAIHVLV-UHFFFAOYSA-N -1 3 383.897 3.766 20 0 GHADHM COC(=O)C1=C[C@H](Oc2c([O-])cc(Cl)cc2F)CN(Cc2ccccc2)C1 ZINC001234445410 1040040013 /nfs/dbraw/zinc/04/00/13/1040040013.db2.gz ZHIUUIIHJRCAJU-INIZCTEOSA-N -1 3 391.826 3.547 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1C(C)=O ZINC001234794092 1040324707 /nfs/dbraw/zinc/32/47/07/1040324707.db2.gz YIGLJQSFAPLJKI-WBMJQRKESA-N -1 3 393.480 3.936 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1nc(=O)[n-]c3c1SCCC3)C2 ZINC001234907513 1040423221 /nfs/dbraw/zinc/42/32/21/1040423221.db2.gz YGETWZYQCKKIOU-CLLJXQQHSA-N -1 3 393.509 3.530 20 0 GHADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCCC2)c1ncc(C(F)(F)F)cc1F ZINC001234921830 1040432328 /nfs/dbraw/zinc/43/23/28/1040432328.db2.gz MEFWCILLZBZXBU-SSDOTTSWSA-N -1 3 375.347 3.913 20 0 GHADHM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001235266556 1040744415 /nfs/dbraw/zinc/74/44/15/1040744415.db2.gz NUGUURPWHRWURE-SFHVURJKSA-N -1 3 395.429 3.911 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2c(Br)cccc2C(=O)OC)cc1 ZINC001255075805 1040767367 /nfs/dbraw/zinc/76/73/67/1040767367.db2.gz RZKKZVFEVQMZAF-UHFFFAOYSA-N -1 3 398.278 3.599 20 0 GHADHM O=S(=O)([N-]c1c(Br)ncc2ccccc21)c1cccc(F)c1 ZINC001255575455 1041140639 /nfs/dbraw/zinc/14/06/39/1041140639.db2.gz UJURAXCSAZEMAC-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@H](C3CCCCC3)C(F)(F)F)cc2o1 ZINC001255611610 1041167719 /nfs/dbraw/zinc/16/77/19/1041167719.db2.gz RFSKOMRELQSQDP-OAHLLOKOSA-N -1 3 376.400 3.926 20 0 GHADHM CN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc21 ZINC001255795134 1041305229 /nfs/dbraw/zinc/30/52/29/1041305229.db2.gz LJFGYDCUMAKKKS-UHFFFAOYSA-N -1 3 386.395 3.768 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(Br)cc21)c1ccc(F)cc1F ZINC001256083047 1041513823 /nfs/dbraw/zinc/51/38/23/1041513823.db2.gz NMDXPQCSJZYZTQ-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256101736 1041528590 /nfs/dbraw/zinc/52/85/90/1041528590.db2.gz BISNGFWLICYQNL-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(F)cc1F ZINC001256118472 1041549916 /nfs/dbraw/zinc/54/99/16/1041549916.db2.gz LPCPQCIBLYUHMS-SFHVURJKSA-N -1 3 399.434 3.940 20 0 GHADHM O=C(Cc1ccsc1)N1CC2(C1)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001278912118 1041551739 /nfs/dbraw/zinc/55/17/39/1041551739.db2.gz OVPLLQDKIIUDJJ-UHFFFAOYSA-N -1 3 390.936 3.774 20 0 GHADHM CC(C)Oc1c(F)c(F)c(-c2ccc3c(c2)CS(=O)(=O)[N-]3)c(F)c1F ZINC001236223676 1041629653 /nfs/dbraw/zinc/62/96/53/1041629653.db2.gz PEXFMZUFVFKGTH-UHFFFAOYSA-N -1 3 375.343 3.953 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236684342 1041830624 /nfs/dbraw/zinc/83/06/24/1041830624.db2.gz QAKXKCCZPOPSCJ-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM COc1ccccc1O[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236685899 1041831903 /nfs/dbraw/zinc/83/19/03/1041831903.db2.gz QABBLFNLHRPZGA-CQSZACIVSA-N -1 3 378.266 3.817 20 0 GHADHM [O-]c1cc(CN2CCc3ncc(Br)cc3C2)ccc1Br ZINC001236687848 1041832795 /nfs/dbraw/zinc/83/27/95/1041832795.db2.gz PTOGIMCKXVZCIO-UHFFFAOYSA-N -1 3 398.098 3.871 20 0 GHADHM COc1cc2c(cc1OC)CN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236688485 1041833303 /nfs/dbraw/zinc/83/33/03/1041833303.db2.gz VRFXCOJVZLXSHI-UHFFFAOYSA-N -1 3 378.266 3.730 20 0 GHADHM Cc1cccc(COCc2cnc3n2CCN(Cc2ccc(F)c([O-])c2)[C@H]3C)n1 ZINC001236701643 1041842309 /nfs/dbraw/zinc/84/23/09/1041842309.db2.gz METBETCGGDJHIF-INIZCTEOSA-N -1 3 396.466 3.725 20 0 GHADHM [O-]c1c(Cl)nc(Cl)cc1CN1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237521970 1042248706 /nfs/dbraw/zinc/24/87/06/1042248706.db2.gz GILDPXUYVVBEIS-YPMHNXCESA-N -1 3 399.347 3.647 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1ccc(Cl)c2ccccc21 ZINC001237548843 1042259229 /nfs/dbraw/zinc/25/92/29/1042259229.db2.gz MCDACAKRMXIIIC-AWEZNQCLSA-N -1 3 377.853 3.707 20 0 GHADHM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cc([C@H]4CCCN4)no3)cc2)cc1 ZINC001237549734 1042260005 /nfs/dbraw/zinc/26/00/05/1042260005.db2.gz PMAMKABEQYTSLN-GOSISDBHSA-N -1 3 383.473 3.875 20 0 GHADHM COC(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(N)cc3)c2)cc1 ZINC001237675531 1042317544 /nfs/dbraw/zinc/31/75/44/1042317544.db2.gz AVDJCVMDICODHN-UHFFFAOYSA-N -1 3 382.441 3.523 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2N)c(C)c1C ZINC001237944257 1042433049 /nfs/dbraw/zinc/43/30/49/1042433049.db2.gz FHACRTAXGJAHNP-UHFFFAOYSA-N -1 3 399.310 3.766 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)cc1N ZINC001237958371 1042437751 /nfs/dbraw/zinc/43/77/51/1042437751.db2.gz PWDQHGDUEPFZLB-UHFFFAOYSA-N -1 3 390.505 3.717 20 0 GHADHM O=S(=O)([N-][C@@H]1CNCc2ccsc21)c1c(Cl)cc(Cl)cc1Cl ZINC001238310031 1042551313 /nfs/dbraw/zinc/55/13/13/1042551313.db2.gz ALXLNJRQDHJKRQ-LLVKDONJSA-N -1 3 397.736 3.831 20 0 GHADHM CN(Cc1ccccc1)C(=O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001291812944 1043482187 /nfs/dbraw/zinc/48/21/87/1043482187.db2.gz LUXXQWYDPBRRHZ-UHFFFAOYSA-N -1 3 390.439 3.573 20 0 GHADHM O=C([N-]c1ncc(Br)s1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001291894176 1043518624 /nfs/dbraw/zinc/51/86/24/1043518624.db2.gz RYNFYNVMLYIURB-UHFFFAOYSA-N -1 3 392.234 3.748 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001292435452 1043733413 /nfs/dbraw/zinc/73/34/13/1043733413.db2.gz UCILOIGOTBXYDX-SFHVURJKSA-N -1 3 384.501 3.978 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cccc(OC(F)(F)F)c1F ZINC001462763638 1070529647 /nfs/dbraw/zinc/52/96/47/1070529647.db2.gz LMMOVHIJLLYYGL-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1cccc([O-])c1Cl)CC2 ZINC001278996758 1043906651 /nfs/dbraw/zinc/90/66/51/1043906651.db2.gz SWBPTFBCEGIOJA-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC001257183490 1043923867 /nfs/dbraw/zinc/92/38/67/1043923867.db2.gz SEHZYLKTSXIKLY-ZDUSSCGKSA-N -1 3 386.300 3.838 20 0 GHADHM O=S(=O)([N-]CCc1nc(-c2ccccc2)no1)c1cccc(Cl)c1Cl ZINC001257276489 1043953288 /nfs/dbraw/zinc/95/32/88/1043953288.db2.gz LELCJMUREYVPRB-UHFFFAOYSA-N -1 3 398.271 3.564 20 0 GHADHM COc1cc2c(cc1C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC001257289186 1043958137 /nfs/dbraw/zinc/95/81/37/1043958137.db2.gz UXLXRUMUPJZMAR-CYBMUJFWSA-N -1 3 386.300 3.756 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Cl)c1ccccc1Br ZINC001257327406 1043965145 /nfs/dbraw/zinc/96/51/45/1043965145.db2.gz SEAWEYFVGWDAPR-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c(O)cccc1Br ZINC001257615191 1044087930 /nfs/dbraw/zinc/08/79/30/1044087930.db2.gz ZGUXDDCQJUIGLZ-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(F)c1)c1c(Cl)cccc1Cl ZINC001257786048 1044169812 /nfs/dbraw/zinc/16/98/12/1044169812.db2.gz VDDRUTLBJHIFQG-UHFFFAOYSA-N -1 3 378.252 3.880 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(F)c1 ZINC001257785530 1044169961 /nfs/dbraw/zinc/16/99/61/1044169961.db2.gz ITPIGHRRQBJBHF-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM COc1ccc([O-])c(-c2nnc(-c3ccc(Cn4nc(C)cc4C)cc3)o2)c1 ZINC001257922004 1044260351 /nfs/dbraw/zinc/26/03/51/1044260351.db2.gz JYQUWJHMWLAHCZ-UHFFFAOYSA-N -1 3 376.416 3.979 20 0 GHADHM Cc1ccc(N2CCC[C@@H](NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)cc1 ZINC001294009655 1044419814 /nfs/dbraw/zinc/41/98/14/1044419814.db2.gz ZDOWVLATMZVKEM-CQSZACIVSA-N -1 3 397.425 3.514 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])cc(Br)c2)cccc1N1CCOC1=O ZINC001294032249 1044435405 /nfs/dbraw/zinc/43/54/05/1044435405.db2.gz UOAPGDRSHNNKSN-UHFFFAOYSA-N -1 3 391.221 3.672 20 0 GHADHM CCO[C@H]1C[C@@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(CC)CC ZINC001294130698 1044486748 /nfs/dbraw/zinc/48/67/48/1044486748.db2.gz MWZJOBVVQABPQF-SJORKVTESA-N -1 3 378.419 3.520 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(-c2ccsc2)cc1 ZINC001258466199 1044572817 /nfs/dbraw/zinc/57/28/17/1044572817.db2.gz TWPVYVGURDOTDC-UHFFFAOYSA-N -1 3 381.910 3.589 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(-c2ccc(F)cc2)c1 ZINC001258478858 1044576345 /nfs/dbraw/zinc/57/63/45/1044576345.db2.gz BDHCHGYCLDSATQ-UHFFFAOYSA-N -1 3 393.871 3.667 20 0 GHADHM COC(=O)C1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC1 ZINC001294511397 1044674452 /nfs/dbraw/zinc/67/44/52/1044674452.db2.gz SXZHVZCMJCOGRA-UHFFFAOYSA-N -1 3 381.472 3.641 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c([O-])c1 ZINC001294856742 1044819817 /nfs/dbraw/zinc/81/98/17/1044819817.db2.gz IWBSLRCLNKMEOQ-FQEVSTJZSA-N -1 3 381.472 3.782 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Br)c1cc(F)ccc1F ZINC001258941915 1044898573 /nfs/dbraw/zinc/89/85/73/1044898573.db2.gz HQCVIUHHEPOMSQ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccncc1 ZINC001259034305 1044927014 /nfs/dbraw/zinc/92/70/14/1044927014.db2.gz QLZMMRSDIUAVIL-LJQANCHMSA-N -1 3 392.402 3.875 20 0 GHADHM COc1cc(F)cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001295152621 1044932687 /nfs/dbraw/zinc/93/26/87/1044932687.db2.gz GKPYTYCGWZTABS-UHFFFAOYSA-N -1 3 381.429 3.568 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)nc1Cl)c1ccc(F)c(F)c1 ZINC001259085013 1044953907 /nfs/dbraw/zinc/95/39/07/1044953907.db2.gz RAXBCMNNNQVCCR-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)CCC2 ZINC001295277927 1044971665 /nfs/dbraw/zinc/97/16/65/1044971665.db2.gz JSACBNPGVZGPCH-KRWDZBQOSA-N -1 3 376.250 3.971 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccc2F)cc1 ZINC001259178090 1044994479 /nfs/dbraw/zinc/99/44/79/1044994479.db2.gz DESCCPYBMVFKOR-UHFFFAOYSA-N -1 3 393.436 3.784 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2F)c1 ZINC001259190080 1044999306 /nfs/dbraw/zinc/99/93/06/1044999306.db2.gz ULIGBWYLMAZILL-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1Br ZINC001259197422 1045003407 /nfs/dbraw/zinc/00/34/07/1045003407.db2.gz WDYKJUJIOAPCRD-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(NCCc1ccc(F)c(F)c1F)c1c[n-]c2c(Cl)cccc2c1=O ZINC001295571608 1045056532 /nfs/dbraw/zinc/05/65/32/1045056532.db2.gz JMSHDLQJAUETKK-UHFFFAOYSA-N -1 3 380.753 3.571 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Br ZINC001259307595 1045069126 /nfs/dbraw/zinc/06/91/26/1045069126.db2.gz TXOIUQXLFQMXKN-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259368926 1045102705 /nfs/dbraw/zinc/10/27/05/1045102705.db2.gz FIXMOCKGBCVYLO-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259368886 1045103168 /nfs/dbraw/zinc/10/31/68/1045103168.db2.gz DHWFYFLQYFXLII-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369718 1045104712 /nfs/dbraw/zinc/10/47/12/1045104712.db2.gz PRBISGDHAIRIQQ-UHFFFAOYSA-N -1 3 381.379 3.778 20 0 GHADHM O=S(=O)([N-]c1cccc(Oc2cccnc2)c1)c1ccc(-n2cccn2)cc1 ZINC001259370536 1045107357 /nfs/dbraw/zinc/10/73/57/1045107357.db2.gz MZEGPPWDDYHWPP-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2nc(-c3ccco3)c(C)s2)c([O-])c1 ZINC001295836065 1045161471 /nfs/dbraw/zinc/16/14/71/1045161471.db2.gz ATAROEWEDKCEOO-UHFFFAOYSA-N -1 3 386.429 3.775 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(Cl)nc3cc(Cl)ccn32)c([O-])c1 ZINC001295836433 1045161846 /nfs/dbraw/zinc/16/18/46/1045161846.db2.gz HISWZBYTAVPPNV-UHFFFAOYSA-N -1 3 394.214 3.776 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCC(F)(F)CC1 ZINC001259473401 1045185806 /nfs/dbraw/zinc/18/58/06/1045185806.db2.gz NMTHBFVHDRXUHM-UHFFFAOYSA-N -1 3 385.835 3.600 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)[n-]n1 ZINC001295913014 1045186955 /nfs/dbraw/zinc/18/69/55/1045186955.db2.gz PRCCMWPBLUBWQQ-FQEVSTJZSA-N -1 3 393.443 3.908 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)n[n-]1 ZINC001295913014 1045186957 /nfs/dbraw/zinc/18/69/57/1045186957.db2.gz PRCCMWPBLUBWQQ-FQEVSTJZSA-N -1 3 393.443 3.908 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cn(-c2ccc(Br)cc2)cn1 ZINC001295972823 1045203435 /nfs/dbraw/zinc/20/34/35/1045203435.db2.gz SFRWKYMZPTYJSX-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC001259503340 1045208404 /nfs/dbraw/zinc/20/84/04/1045208404.db2.gz RSDVXBGMRPHWSI-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2cc(F)cc(F)c21)c1ccc(Cl)cc1F ZINC001259514571 1045216025 /nfs/dbraw/zinc/21/60/25/1045216025.db2.gz VWUVVOAFIIDZKI-GFCCVEGCSA-N -1 3 377.771 3.559 20 0 GHADHM COc1cnc(C(=O)[N-]c2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)nc1 ZINC001462893988 1070634868 /nfs/dbraw/zinc/63/48/68/1070634868.db2.gz HWWZJRZEFVBNAJ-UHFFFAOYSA-N -1 3 398.341 3.502 20 0 GHADHM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1Br)c1cccnc1 ZINC001259607438 1045242172 /nfs/dbraw/zinc/24/21/72/1045242172.db2.gz CTBRFVVOIOOHGY-UHFFFAOYSA-N -1 3 397.172 3.544 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccncc2C(F)(F)F)C2CC2)c1 ZINC001259641333 1045255479 /nfs/dbraw/zinc/25/54/79/1045255479.db2.gz QBGGRVIENRSZSS-INIZCTEOSA-N -1 3 388.386 3.978 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)cc1 ZINC001259760084 1045289472 /nfs/dbraw/zinc/28/94/72/1045289472.db2.gz IPOUYLPCFRMPKO-UHFFFAOYSA-N -1 3 379.453 3.765 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1C(C)=O ZINC001260033555 1045364901 /nfs/dbraw/zinc/36/49/01/1045364901.db2.gz UXXHIOHXUWOYLE-UHFFFAOYSA-N -1 3 387.379 3.859 20 0 GHADHM Cc1ccc(S(=O)(=O)Nc2cccc([O-])c2Br)c2ccncc12 ZINC001260095184 1045381550 /nfs/dbraw/zinc/38/15/50/1045381550.db2.gz QJNNGVMFKNBRQU-UHFFFAOYSA-N -1 3 393.262 3.812 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(O)ccc1Br ZINC001260133683 1045390086 /nfs/dbraw/zinc/39/00/86/1045390086.db2.gz SKQBFLPVXGOMKX-UHFFFAOYSA-N -1 3 393.262 3.812 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)nc1Cl)c1ccc(Oc2ccccn2)cc1 ZINC001260140076 1045393943 /nfs/dbraw/zinc/39/39/43/1045393943.db2.gz BYRQSOTVQZMXBI-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Br)c1cc(F)c(F)cc1Cl ZINC001260283950 1045442143 /nfs/dbraw/zinc/44/21/43/1045442143.db2.gz DKVYEPSQUREKDZ-UHFFFAOYSA-N -1 3 398.612 3.887 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1F ZINC001260314310 1045455141 /nfs/dbraw/zinc/45/51/41/1045455141.db2.gz VDKZWPUICQXAQW-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001260313826 1045455168 /nfs/dbraw/zinc/45/51/68/1045455168.db2.gz JRQKLXVZMPDSRK-UHFFFAOYSA-N -1 3 378.208 3.859 20 0 GHADHM O=c1cc[nH]c(Cl)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001260318218 1045458735 /nfs/dbraw/zinc/45/87/35/1045458735.db2.gz TYMWIXMMTNSMRM-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Br ZINC001260366639 1045476834 /nfs/dbraw/zinc/47/68/34/1045476834.db2.gz CUXAHCLBFOBZQB-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260372128 1045479457 /nfs/dbraw/zinc/47/94/57/1045479457.db2.gz LEFAKAGPUGTPMH-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1ccc(Br)cc1F ZINC001260381132 1045483841 /nfs/dbraw/zinc/48/38/41/1045483841.db2.gz QOUPSMNNWZEGPF-AWEZNQCLSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(C2CCC2)C1)c1ccc(Cl)c(Cl)c1Cl ZINC001260433011 1045494256 /nfs/dbraw/zinc/49/42/56/1045494256.db2.gz FRVJNZUWWWVUBR-VIFPVBQESA-N -1 3 383.728 3.552 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@H]2CCCO2)cc1C ZINC001260638888 1045585903 /nfs/dbraw/zinc/58/59/03/1045585903.db2.gz HXNXXTGKMLRTOV-CQSZACIVSA-N -1 3 395.452 3.501 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCCc1ccccc1Cl ZINC001297609410 1045587133 /nfs/dbraw/zinc/58/71/33/1045587133.db2.gz GZZQGYOOTIRYII-KGLIPLIRSA-N -1 3 389.883 3.543 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001260718273 1045624219 /nfs/dbraw/zinc/62/42/19/1045624219.db2.gz WWZITBKBVBKNDV-UHFFFAOYSA-N -1 3 388.489 3.574 20 0 GHADHM COCCCn1cc(C)c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001298123957 1045708442 /nfs/dbraw/zinc/70/84/42/1045708442.db2.gz SQZANKVSGBXNBD-UHFFFAOYSA-N -1 3 393.487 3.971 20 0 GHADHM O=c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc[nH]1 ZINC001260940428 1045778806 /nfs/dbraw/zinc/77/88/06/1045778806.db2.gz UYTGBZAOWANQRZ-UHFFFAOYSA-N -1 3 386.273 3.626 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(Cl)s1 ZINC001260968340 1045788211 /nfs/dbraw/zinc/78/82/11/1045788211.db2.gz ZICROOHXUIESMZ-UHFFFAOYSA-N -1 3 396.273 3.651 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)c1C ZINC001260990948 1045805981 /nfs/dbraw/zinc/80/59/81/1045805981.db2.gz VUAYNNMRBZMMIQ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)c1C ZINC001260998983 1045814349 /nfs/dbraw/zinc/81/43/49/1045814349.db2.gz LLMPHGGFQHSPJK-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261013807 1045836454 /nfs/dbraw/zinc/83/64/54/1045836454.db2.gz DJKYNZXXRNHPCO-LBPRGKRZSA-N -1 3 391.411 3.840 20 0 GHADHM Cc1ccnc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261014131 1045836930 /nfs/dbraw/zinc/83/69/30/1045836930.db2.gz RJBVNFIWZXUEIZ-UHFFFAOYSA-N -1 3 390.402 3.804 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001462987923 1070711400 /nfs/dbraw/zinc/71/14/00/1070711400.db2.gz IIECKTDZFQYRSR-KBPBESRZSA-N -1 3 385.501 3.743 20 0 GHADHM CCCC1CCC([N-]S(=O)(=O)c2cc(Cl)sc2C(=O)OC)CC1 ZINC001261063746 1045883191 /nfs/dbraw/zinc/88/31/91/1045883191.db2.gz IGWMBEZKUNMDSD-UHFFFAOYSA-N -1 3 379.931 3.825 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCCc2ccccc21 ZINC001261066266 1045884529 /nfs/dbraw/zinc/88/45/29/1045884529.db2.gz OKAFOHYVMCJPRV-ZDUSSCGKSA-N -1 3 399.921 3.934 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1ccc(-c2nnco2)cc1 ZINC001261081072 1045896603 /nfs/dbraw/zinc/89/66/03/1045896603.db2.gz OEDJPHDYLGKYRA-UHFFFAOYSA-N -1 3 384.244 3.985 20 0 GHADHM O=C(NCC1CCN(CC(F)F)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001298738290 1045935697 /nfs/dbraw/zinc/93/56/97/1045935697.db2.gz UFLFHMNTFISISH-UHFFFAOYSA-N -1 3 390.430 3.891 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1[O-] ZINC001298783930 1045946008 /nfs/dbraw/zinc/94/60/08/1045946008.db2.gz NJWCQCGTKLXLRK-YADHBBJMSA-N -1 3 375.424 3.800 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c([O-])c1 ZINC001298846718 1045964857 /nfs/dbraw/zinc/96/48/57/1045964857.db2.gz PCHYLZZQVOAASX-UHFFFAOYSA-N -1 3 378.831 3.836 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc2ccccc21 ZINC001298896443 1045978806 /nfs/dbraw/zinc/97/88/06/1045978806.db2.gz GQVKRTFRPDWUQI-HXUWFJFHSA-N -1 3 391.423 3.782 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cccc(Cc4nnn[n-]4)c3)ccc2c1 ZINC001298996127 1045995344 /nfs/dbraw/zinc/99/53/44/1045995344.db2.gz YGZZVCWJWSVWEO-UXBLZVDNSA-N -1 3 385.427 3.604 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cccc(Cc4nn[n-]n4)c3)ccc2c1 ZINC001298996127 1045995345 /nfs/dbraw/zinc/99/53/45/1045995345.db2.gz YGZZVCWJWSVWEO-UXBLZVDNSA-N -1 3 385.427 3.604 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c(C)n1Cc1ccco1 ZINC001299812012 1046049545 /nfs/dbraw/zinc/04/95/45/1046049545.db2.gz YZHRFQZFVFGHJM-UHFFFAOYSA-N -1 3 384.436 3.677 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c(C)n1Cc1ccco1 ZINC001299812012 1046049562 /nfs/dbraw/zinc/04/95/62/1046049562.db2.gz YZHRFQZFVFGHJM-UHFFFAOYSA-N -1 3 384.436 3.677 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2Cc2ccccc2)s1 ZINC001463022688 1070737544 /nfs/dbraw/zinc/73/75/44/1070737544.db2.gz CGYRXLICLLJJDF-HZPDHXFCSA-N -1 3 393.530 3.615 20 0 GHADHM CC(C)COc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001262604530 1046277192 /nfs/dbraw/zinc/27/71/92/1046277192.db2.gz VPPROWYTBXWSRC-UHFFFAOYSA-N -1 3 396.896 3.999 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)cc1[O-] ZINC001301827825 1046722658 /nfs/dbraw/zinc/72/26/58/1046722658.db2.gz FNCHMUBVHDNYJV-LBPRGKRZSA-N -1 3 388.851 3.726 20 0 GHADHM COc1ccccc1Nc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001301884995 1046747011 /nfs/dbraw/zinc/74/70/11/1046747011.db2.gz NATHXEXMEPSFGU-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccccc1Nc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001301884995 1046747027 /nfs/dbraw/zinc/74/70/27/1046747027.db2.gz NATHXEXMEPSFGU-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)Cc1cccc(Br)c1 ZINC001463122485 1070820629 /nfs/dbraw/zinc/82/06/29/1070820629.db2.gz AECOEMDREYLDPO-CYBMUJFWSA-N -1 3 386.311 3.898 20 0 GHADHM O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC001302288985 1046901179 /nfs/dbraw/zinc/90/11/79/1046901179.db2.gz DJAWARIZEXMOIJ-UHFFFAOYSA-N -1 3 391.328 3.570 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1ccc(Cl)c2nonc21 ZINC001463140900 1070845254 /nfs/dbraw/zinc/84/52/54/1070845254.db2.gz ZELPWZPQBMBXAT-UHFFFAOYSA-N -1 3 398.271 3.540 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1Br ZINC000591815370 1047275433 /nfs/dbraw/zinc/27/54/33/1047275433.db2.gz UPYATLQINVXSNN-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC001303315037 1047358040 /nfs/dbraw/zinc/35/80/40/1047358040.db2.gz JMZPZKDSORBSDR-CQSZACIVSA-N -1 3 387.741 3.709 20 0 GHADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001303558401 1047429405 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C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001355228382 1057089524 /nfs/dbraw/zinc/08/95/24/1057089524.db2.gz QZCLNYNHVIRLPF-CJNGLKHVSA-N -1 3 398.544 3.847 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)C1 ZINC001355708270 1057256129 /nfs/dbraw/zinc/25/61/29/1057256129.db2.gz WJOWAAGOUYCYPW-SJKOYZFVSA-N -1 3 394.454 3.582 20 0 GHADHM COc1cc(F)cc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC001325979796 1057390247 /nfs/dbraw/zinc/39/02/47/1057390247.db2.gz IPOHYIGJQRYAQV-UHFFFAOYSA-N -1 3 388.258 3.581 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1CCCc1ccccc1 ZINC001356269436 1057454330 /nfs/dbraw/zinc/45/43/30/1057454330.db2.gz GUUXMXYGWLRPQK-SFHVURJKSA-N -1 3 392.507 3.761 20 0 GHADHM CCCCn1ncc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)c1CC ZINC001439999729 1058383079 /nfs/dbraw/zinc/38/30/79/1058383079.db2.gz UEVMUGBABMPNEU-UHFFFAOYSA-N -1 3 383.452 3.551 20 0 GHADHM Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001338302357 1058503722 /nfs/dbraw/zinc/50/37/22/1058503722.db2.gz RUEVPZJYLIVDSK-ZDUSSCGKSA-N -1 3 379.342 3.536 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(NCc2ccccc2)ccn1 ZINC001441343018 1058754264 /nfs/dbraw/zinc/75/42/64/1058754264.db2.gz MVXVJQXHMKRQFV-UHFFFAOYSA-N -1 3 398.260 3.836 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1csc2ccccc12 ZINC001339239460 1059032758 /nfs/dbraw/zinc/03/27/58/1059032758.db2.gz IUPFUYYRWIMFCV-UHFFFAOYSA-N -1 3 380.477 3.620 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3cc4c(cc3[O-])OCO4)cc2)c1 ZINC001443988795 1059246050 /nfs/dbraw/zinc/24/60/50/1059246050.db2.gz FBBOTKZIYHHLPG-UHFFFAOYSA-N -1 3 377.396 3.727 20 0 GHADHM COc1ccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c(OC2CCCC2)c1 ZINC001445238182 1059486271 /nfs/dbraw/zinc/48/62/71/1059486271.db2.gz JGWXRVQBZQUSOT-UHFFFAOYSA-N -1 3 383.444 3.855 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001445526846 1059555453 /nfs/dbraw/zinc/55/54/53/1059555453.db2.gz MVEKHBNYSBJWEM-NHCUHLMSSA-N -1 3 396.487 3.558 20 0 GHADHM CO[C@@H]1Cc2ccc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)cc2C1 ZINC001447632462 1059992682 /nfs/dbraw/zinc/99/26/82/1059992682.db2.gz XAOPZCBRBCADNR-LJQANCHMSA-N -1 3 390.439 3.738 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001448134605 1060116263 /nfs/dbraw/zinc/11/62/63/1060116263.db2.gz PLTZQVMXLMPNMV-UHFFFAOYSA-N -1 3 397.744 3.594 20 0 GHADHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@H]1CCC(C)(C)C1 ZINC001448903090 1060293856 /nfs/dbraw/zinc/29/38/56/1060293856.db2.gz LBXCCXVEDMZTRO-GFCCVEGCSA-N -1 3 377.282 3.941 20 0 GHADHM CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001449079413 1060328503 /nfs/dbraw/zinc/32/85/03/1060328503.db2.gz UDWWUPIKBKXETK-AWEZNQCLSA-N -1 3 380.510 3.587 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)C(F)(F)c2cc(F)cc(F)c2)c1[O-] ZINC001449210954 1060352243 /nfs/dbraw/zinc/35/22/43/1060352243.db2.gz CINKRAINRAUTHU-UHFFFAOYSA-N -1 3 391.704 3.841 20 0 GHADHM O=C(c1cccc(Br)c1[O-])N(CCN1CCCC1)c1ccccc1 ZINC001341587516 1060760193 /nfs/dbraw/zinc/76/01/93/1060760193.db2.gz OYDBJFYVWIXGPS-UHFFFAOYSA-N -1 3 389.293 3.897 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)c([O-])c1 ZINC001451856115 1060847948 /nfs/dbraw/zinc/84/79/48/1060847948.db2.gz KOYGIFRFWJKMKJ-XHSDSOJGSA-N -1 3 376.497 3.712 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1C ZINC001452722552 1060993747 /nfs/dbraw/zinc/99/37/47/1060993747.db2.gz APQKAEWSQVDENK-KRWDZBQOSA-N -1 3 389.455 3.593 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H](C4CCCC4)C3)n2CC2CC2)cc(=O)[n-]1 ZINC001346101102 1061361483 /nfs/dbraw/zinc/36/14/83/1061361483.db2.gz FHYVNVGOQUZZDZ-KRWDZBQOSA-N -1 3 382.512 3.566 20 0 GHADHM COCC[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC001346629884 1061744626 /nfs/dbraw/zinc/74/46/26/1061744626.db2.gz PHGGNCZQZDJOIF-INIZCTEOSA-N -1 3 398.290 3.624 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccnn2C2CCCCC2)c(Cl)c1 ZINC001346786701 1061884150 /nfs/dbraw/zinc/88/41/50/1061884150.db2.gz DJTXZWZJBNHWLX-UHFFFAOYSA-N -1 3 396.900 3.666 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccnc(C2CC2)c1 ZINC001454631876 1061891761 /nfs/dbraw/zinc/89/17/61/1061891761.db2.gz VJGVTECPZGOWOW-UHFFFAOYSA-N -1 3 391.431 3.504 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC001347307574 1062286328 /nfs/dbraw/zinc/28/63/28/1062286328.db2.gz UQCUAIHQPSMSCP-HXUWFJFHSA-N -1 3 388.471 3.556 20 0 GHADHM Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC001347313780 1062291291 /nfs/dbraw/zinc/29/12/91/1062291291.db2.gz WBBRINXZHZQWEQ-UHFFFAOYSA-N -1 3 394.269 3.572 20 0 GHADHM CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001456214601 1062557016 /nfs/dbraw/zinc/55/70/16/1062557016.db2.gz KZMVBNWIGSKAKZ-MRXNPFEDSA-N -1 3 391.512 3.542 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456377236 1062647286 /nfs/dbraw/zinc/64/72/86/1062647286.db2.gz BBLRPHKJSNHUOG-RXMQYKEDSA-N -1 3 386.683 3.987 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H](C)c3ccc4c(c3)OCO4)n[n-]2)cc1 ZINC001457163241 1062994040 /nfs/dbraw/zinc/99/40/40/1062994040.db2.gz DXALQPXDANBOAC-ZDUSSCGKSA-N -1 3 396.472 3.876 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001435934641 1063011044 /nfs/dbraw/zinc/01/10/44/1063011044.db2.gz XCAGDJIKCABZAU-MRVPVSSYSA-N -1 3 399.230 3.637 20 0 GHADHM CON(C(=O)c1c[n-]c2ccc(C)cc2c1=O)[C@H]1CCCOc2ccccc21 ZINC001457706553 1063320319 /nfs/dbraw/zinc/32/03/19/1063320319.db2.gz XUYLUTWECGLVJM-IBGZPJMESA-N -1 3 378.428 3.754 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)CSCc3ccc(Cl)cc3)c2c1=O ZINC001457891858 1063424027 /nfs/dbraw/zinc/42/40/27/1063424027.db2.gz ZGBWFBDQWVMSKB-UHFFFAOYSA-N -1 3 390.896 3.578 20 0 GHADHM CCOC(=O)C(CC)(CC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001436526651 1063508410 /nfs/dbraw/zinc/50/84/10/1063508410.db2.gz MFPTZFTZOUCTHR-UHFFFAOYSA-N -1 3 377.815 3.679 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001436664194 1063602077 /nfs/dbraw/zinc/60/20/77/1063602077.db2.gz AIUJRGGONNMTRD-SECBINFHSA-N -1 3 382.247 3.774 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC=CCCC1)C(F)(F)F ZINC001436917081 1063705364 /nfs/dbraw/zinc/70/53/64/1063705364.db2.gz ZJPGKIUMFNWHCE-GOEBONIOSA-N -1 3 380.410 3.759 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc(Cl)nn1 ZINC001438268569 1064021310 /nfs/dbraw/zinc/02/13/10/1064021310.db2.gz PWVTVJSVMKVXNW-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM Cc1scc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1C ZINC001438501524 1064059820 /nfs/dbraw/zinc/05/98/20/1064059820.db2.gz NIILHZWKWSBHNE-UHFFFAOYSA-N -1 3 385.482 3.548 20 0 GHADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[N-]c1nc2cnccn2n1 ZINC001438509608 1064061570 /nfs/dbraw/zinc/06/15/70/1064061570.db2.gz PYZOLPZSKUGHBI-UHFFFAOYSA-N -1 3 389.202 3.647 20 0 GHADHM Cc1c(C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)oc2c1c(C)ccc2C ZINC001350439106 1064086199 /nfs/dbraw/zinc/08/61/99/1064086199.db2.gz APODWELCVJCIMV-MRXNPFEDSA-N -1 3 394.475 3.561 20 0 GHADHM COc1ccc2c(c1)CCN(Cc1cc(=O)oc3cc([O-])c(Cl)cc13)CC2 ZINC001459880806 1064254969 /nfs/dbraw/zinc/25/49/69/1064254969.db2.gz FSMYGROCSMIIPC-UHFFFAOYSA-N -1 3 385.847 3.761 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001463404176 1064319124 /nfs/dbraw/zinc/31/91/24/1064319124.db2.gz NUMCXNJWVZWBIE-NWDGAFQWSA-N -1 3 388.942 3.822 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C)CCC4(CC3)OCCO4)c2)n1 ZINC001351324931 1064378428 /nfs/dbraw/zinc/37/84/28/1064378428.db2.gz RZEWPRGRTXYQIM-UHFFFAOYSA-N -1 3 397.475 3.674 20 0 GHADHM CCC[C@H](C)CS(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)OCC ZINC001463554932 1064456585 /nfs/dbraw/zinc/45/65/85/1064456585.db2.gz JSQFYQBYJFFIIK-JXFKEZNVSA-N -1 3 391.533 3.670 20 0 GHADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cccc(Cl)c1[O-] ZINC001351789007 1064603005 /nfs/dbraw/zinc/60/30/05/1064603005.db2.gz OTDAMWQMRMILFC-UHFFFAOYSA-N -1 3 376.909 3.889 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1)c1noc(C(F)(F)F)n1 ZINC001463946889 1064734384 /nfs/dbraw/zinc/73/43/84/1064734384.db2.gz NTGWAHNKSCRWNR-QMMMGPOBSA-N -1 3 395.378 3.565 20 0 GHADHM CCCC[C@@H](CC)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001464024895 1064776038 /nfs/dbraw/zinc/77/60/38/1064776038.db2.gz GSHZOMLPLKVFBE-OAHLLOKOSA-N -1 3 397.475 3.939 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC)C1CC1 ZINC001464090785 1064815679 /nfs/dbraw/zinc/81/56/79/1064815679.db2.gz LVWBJGSEIBMPFH-NSHDSACASA-N -1 3 382.707 3.578 20 0 GHADHM CCC(F)(F)C(=O)[N-][C@@H](CNC(=O)C(F)(F)CC)c1ccc(Cl)cc1 ZINC000847181580 1064836765 /nfs/dbraw/zinc/83/67/65/1064836765.db2.gz MWFOBTVVYQZOMB-LBPRGKRZSA-N -1 3 382.785 3.704 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1F)c1nc2cc(Cl)ccc2o1 ZINC001464242394 1064923066 /nfs/dbraw/zinc/92/30/66/1064923066.db2.gz HTOITBAWFNEVFW-UHFFFAOYSA-N -1 3 386.807 3.973 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1F)c1cccc(Cl)c1F ZINC001464264297 1064932409 /nfs/dbraw/zinc/93/24/09/1064932409.db2.gz 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O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001464640356 1065128697 /nfs/dbraw/zinc/12/86/97/1065128697.db2.gz TYMCPVQOOZWZTO-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCS1 ZINC001464720344 1065174985 /nfs/dbraw/zinc/17/49/85/1065174985.db2.gz KWDLVLXZYQADNF-DTWKUNHWSA-N -1 3 384.748 3.665 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCCC2)sc1Br ZINC001464852913 1065245801 /nfs/dbraw/zinc/24/58/01/1065245801.db2.gz QELDSTILINNNBU-RYUDHWBXSA-N -1 3 378.357 3.924 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001464909383 1065268618 /nfs/dbraw/zinc/26/86/18/1065268618.db2.gz HHIXQJRAZUKYCG-UHFFFAOYSA-N -1 3 389.477 3.703 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001465018289 1065330998 /nfs/dbraw/zinc/33/09/98/1065330998.db2.gz XFUQNOAGTCKQCS-HXUWFJFHSA-N -1 3 375.428 3.588 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)cc1OC ZINC001465356826 1065563483 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/nfs/dbraw/zinc/47/30/19/1074473019.db2.gz IXWJBVXOAXKEMC-MRXNPFEDSA-N -1 3 378.394 3.619 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)OC ZINC001475120209 1074745317 /nfs/dbraw/zinc/74/53/17/1074745317.db2.gz ZVEXQNBWUBWSQC-CQSZACIVSA-N -1 3 396.322 3.708 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)c2ccc(Cl)cc2)no1 ZINC001475147763 1074757931 /nfs/dbraw/zinc/75/79/31/1074757931.db2.gz RGINNYUXRMZEBG-OAHLLOKOSA-N -1 3 385.917 3.722 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc([Si](C)(C)C)cc1 ZINC001475234634 1074798388 /nfs/dbraw/zinc/79/83/88/1074798388.db2.gz JYAOCBOUVFPMOX-UHFFFAOYSA-N -1 3 391.540 3.904 20 0 GHADHM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001475253498 1074806716 /nfs/dbraw/zinc/80/67/16/1074806716.db2.gz JXYVBMZVAJNLAD-NSHDSACASA-N -1 3 391.386 3.763 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C)cc1F)c1ccc(OC)c(OC)c1 ZINC001475290572 1074824222 /nfs/dbraw/zinc/82/42/22/1074824222.db2.gz YNTVPWGADMKDNC-OAHLLOKOSA-N -1 3 385.432 3.720 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001475300163 1074827047 /nfs/dbraw/zinc/82/70/47/1074827047.db2.gz ZNRZJQPFIGTVTC-MRXNPFEDSA-N -1 3 399.497 3.855 20 0 GHADHM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC001475347309 1074842891 /nfs/dbraw/zinc/84/28/91/1074842891.db2.gz QFTXQIHJYLPUEI-STQMWFEESA-N -1 3 390.908 3.932 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)c(F)c1 ZINC001475427217 1074871472 /nfs/dbraw/zinc/87/14/72/1074871472.db2.gz QIDMDERNQBBVSQ-GOSISDBHSA-N -1 3 383.485 3.640 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@H]1CCCCO1 ZINC001475440583 1074876178 /nfs/dbraw/zinc/87/61/78/1074876178.db2.gz LPWPIMHKFQQPJQ-UONOGXRCSA-N -1 3 394.306 3.523 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC001475478448 1074889335 /nfs/dbraw/zinc/88/93/35/1074889335.db2.gz ISNPEOSAFMTCTH-UHFFFAOYSA-N -1 3 398.775 3.914 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C(F)F)cc1F ZINC001475616391 1074928432 /nfs/dbraw/zinc/92/84/32/1074928432.db2.gz TYMXLVOSVRXARQ-HNNXBMFYSA-N -1 3 391.798 3.966 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCc1ccsc1 ZINC001475799697 1075023929 /nfs/dbraw/zinc/02/39/29/1075023929.db2.gz FTYSXNKBDYNSFK-UHFFFAOYSA-N -1 3 380.354 3.792 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccccc1Oc1cccc(F)c1 ZINC001476023980 1075070469 /nfs/dbraw/zinc/07/04/69/1075070469.db2.gz BCFRMLPBVYBPLE-UHFFFAOYSA-N -1 3 386.408 3.724 20 0 GHADHM CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001494733345 1079355027 /nfs/dbraw/zinc/35/50/27/1079355027.db2.gz CCANNHBVRAYIGB-UHFFFAOYSA-N -1 3 399.539 3.506 20 0 GHADHM O=C([O-])[C@]1(NCc2c(F)cccc2F)CCc2cc(Br)ccc2C1 ZINC001601719863 1126226614 /nfs/dbraw/zinc/22/66/14/1126226614.db2.gz GKOKDSADNFEQFH-SFHVURJKSA-N -1 3 396.231 3.829 20 0 GHADHM C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001604191853 1126228095 /nfs/dbraw/zinc/22/80/95/1126228095.db2.gz RHKDXLBTOHNBCQ-JOCHJYFZSA-N -1 3 383.419 3.867 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000736731783 598823377 /nfs/dbraw/zinc/82/33/77/598823377.db2.gz HMBMSGQCAHEPAS-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000736731783 598823379 /nfs/dbraw/zinc/82/33/79/598823379.db2.gz HMBMSGQCAHEPAS-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1ccc2ccccc2c1 ZINC000737525582 598827502 /nfs/dbraw/zinc/82/75/02/598827502.db2.gz TXYHKCKZKWONMP-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1ccc2ccccc2c1 ZINC000737525582 598827503 /nfs/dbraw/zinc/82/75/03/598827503.db2.gz TXYHKCKZKWONMP-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM S=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000738400835 598828520 /nfs/dbraw/zinc/82/85/20/598828520.db2.gz LKOJKWDANSPAFR-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM S=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000738400835 598828522 /nfs/dbraw/zinc/82/85/22/598828522.db2.gz LKOJKWDANSPAFR-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM Cc1nnc(N[C@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nnn[n-]2)c1C ZINC000737521692 598829256 /nfs/dbraw/zinc/82/92/56/598829256.db2.gz QGXDHDKZKFZQAY-LBPRGKRZSA-N -1 3 376.251 3.680 20 0 GHADHM Cc1nnc(N[C@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nn[n-]n2)c1C ZINC000737521692 598829257 /nfs/dbraw/zinc/82/92/57/598829257.db2.gz QGXDHDKZKFZQAY-LBPRGKRZSA-N -1 3 376.251 3.680 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000736637207 598830340 /nfs/dbraw/zinc/83/03/40/598830340.db2.gz SZWFCRCDPLDYIK-QGZVFWFLSA-N -1 3 379.464 3.719 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000736637207 598830342 /nfs/dbraw/zinc/83/03/42/598830342.db2.gz SZWFCRCDPLDYIK-QGZVFWFLSA-N -1 3 379.464 3.719 20 0 GHADHM COc1ccsc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737159831 598834159 /nfs/dbraw/zinc/83/41/59/598834159.db2.gz QKQWHQHLMZDZKV-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCCC(C)(C)C)c1C ZINC000737504373 598839377 /nfs/dbraw/zinc/83/93/77/598839377.db2.gz VVXFWPZFWCFUPQ-UHFFFAOYSA-N -1 3 381.484 3.824 20 0 GHADHM c1ccc(Oc2cccc(-c3noc(-c4ccc(-c5nnn[n-]5)cn4)n3)c2)cc1 ZINC000738433043 598860314 /nfs/dbraw/zinc/86/03/14/598860314.db2.gz NMQSVJKMTPTQMN-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(Oc2cccc(-c3noc(-c4ccc(-c5nn[n-]n5)cn4)n3)c2)cc1 ZINC000738433043 598860315 /nfs/dbraw/zinc/86/03/15/598860315.db2.gz NMQSVJKMTPTQMN-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000736036635 598888697 /nfs/dbraw/zinc/88/86/97/598888697.db2.gz FRXAGGDKCCULEQ-ZIAGYGMSSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000736036635 598888699 /nfs/dbraw/zinc/88/86/99/598888699.db2.gz FRXAGGDKCCULEQ-ZIAGYGMSSA-N -1 3 384.411 3.510 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738389463 598901245 /nfs/dbraw/zinc/90/12/45/598901245.db2.gz XUDPLUUQAXPWFQ-QGZVFWFLSA-N -1 3 389.484 3.624 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738389463 598901247 /nfs/dbraw/zinc/90/12/47/598901247.db2.gz XUDPLUUQAXPWFQ-QGZVFWFLSA-N -1 3 389.484 3.624 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738389462 598901269 /nfs/dbraw/zinc/90/12/69/598901269.db2.gz XUDPLUUQAXPWFQ-KRWDZBQOSA-N -1 3 389.484 3.624 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738389462 598901271 /nfs/dbraw/zinc/90/12/71/598901271.db2.gz XUDPLUUQAXPWFQ-KRWDZBQOSA-N -1 3 389.484 3.624 20 0 GHADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)Nc1ccccc1 ZINC000737953709 598902799 /nfs/dbraw/zinc/90/27/99/598902799.db2.gz NJSNEHMCLKVPGJ-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)Nc1ccccc1 ZINC000737953709 598902801 /nfs/dbraw/zinc/90/28/01/598902801.db2.gz NJSNEHMCLKVPGJ-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736350398 598905801 /nfs/dbraw/zinc/90/58/01/598905801.db2.gz NAWRVFXNXLDVSO-KRWDZBQOSA-N -1 3 397.523 3.843 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736350398 598905803 /nfs/dbraw/zinc/90/58/03/598905803.db2.gz NAWRVFXNXLDVSO-KRWDZBQOSA-N -1 3 397.523 3.843 20 0 GHADHM CCCCN(CC)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736457158 598925798 /nfs/dbraw/zinc/92/57/98/598925798.db2.gz QYRCOTWYXLIVEL-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CCCCN(CC)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736457158 598925800 /nfs/dbraw/zinc/92/58/00/598925800.db2.gz QYRCOTWYXLIVEL-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCCCCC(F)(F)F ZINC000826167317 607784000 /nfs/dbraw/zinc/78/40/00/607784000.db2.gz YFFQCTWGKFZBHR-UHFFFAOYSA-N -1 3 395.179 3.749 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCCCCC(F)(F)F ZINC000826167317 607784001 /nfs/dbraw/zinc/78/40/01/607784001.db2.gz YFFQCTWGKFZBHR-UHFFFAOYSA-N -1 3 395.179 3.749 20 0 GHADHM O[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000738381864 598976908 /nfs/dbraw/zinc/97/69/08/598976908.db2.gz ISGOEHCCHPYLEV-LBPRGKRZSA-N -1 3 386.189 3.597 20 0 GHADHM O[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000738381864 598976909 /nfs/dbraw/zinc/97/69/09/598976909.db2.gz ISGOEHCCHPYLEV-LBPRGKRZSA-N -1 3 386.189 3.597 20 0 GHADHM OCCC[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738395094 598978892 /nfs/dbraw/zinc/97/88/92/598978892.db2.gz VWFCOEFSBWNUSN-INIZCTEOSA-N -1 3 377.370 3.811 20 0 GHADHM OCCC[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000738395094 598978893 /nfs/dbraw/zinc/97/88/93/598978893.db2.gz VWFCOEFSBWNUSN-INIZCTEOSA-N -1 3 377.370 3.811 20 0 GHADHM O=C(Nc1ccc(F)cc1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738165707 598979435 /nfs/dbraw/zinc/97/94/35/598979435.db2.gz MIFPSZUQLQZEAU-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CCCCN(CC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736456324 598985751 /nfs/dbraw/zinc/98/57/51/598985751.db2.gz GAVHAKUGTNORMT-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CCCCN(CC)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736456324 598985753 /nfs/dbraw/zinc/98/57/53/598985753.db2.gz GAVHAKUGTNORMT-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1Cc2ccccc2C1 ZINC000738267555 599005838 /nfs/dbraw/zinc/00/58/38/599005838.db2.gz JZWUEVRRKCZVFD-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000736167225 599007153 /nfs/dbraw/zinc/00/71/53/599007153.db2.gz DHPRVTZAVMEPTC-SCLBCKFNSA-N -1 3 399.882 3.801 20 0 GHADHM c1ccc(-c2noc(-c3cccc(COc4cccc(-c5nnn[n-]5)c4)c3)n2)nc1 ZINC000738427969 599010855 /nfs/dbraw/zinc/01/08/55/599010855.db2.gz ZSERJUCZCNLXQK-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2noc(-c3cccc(COc4cccc(-c5nn[n-]n5)c4)c3)n2)nc1 ZINC000738427969 599010857 /nfs/dbraw/zinc/01/08/57/599010857.db2.gz ZSERJUCZCNLXQK-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818141 599015105 /nfs/dbraw/zinc/01/51/05/599015105.db2.gz JAHRZEZMBKGDMY-SFHVURJKSA-N -1 3 375.476 3.976 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818141 599015107 /nfs/dbraw/zinc/01/51/07/599015107.db2.gz JAHRZEZMBKGDMY-SFHVURJKSA-N -1 3 375.476 3.976 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502581 599015611 /nfs/dbraw/zinc/01/56/11/599015611.db2.gz OENBJTROIQGTNR-BEFAXECRSA-N -1 3 375.476 3.896 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502581 599015613 /nfs/dbraw/zinc/01/56/13/599015613.db2.gz OENBJTROIQGTNR-BEFAXECRSA-N -1 3 375.476 3.896 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000736228511 599020516 /nfs/dbraw/zinc/02/05/16/599020516.db2.gz OAQRJGNNIQXMRE-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000736228511 599020517 /nfs/dbraw/zinc/02/05/17/599020517.db2.gz OAQRJGNNIQXMRE-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819940129 599051907 /nfs/dbraw/zinc/05/19/07/599051907.db2.gz PTPWETFUILYFTR-DOMZBBRYSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819940129 599051910 /nfs/dbraw/zinc/05/19/10/599051910.db2.gz PTPWETFUILYFTR-DOMZBBRYSA-N -1 3 390.463 3.501 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736154360 599055189 /nfs/dbraw/zinc/05/51/89/599055189.db2.gz UMDUDDLOBYQOTJ-XMXAVACDSA-N -1 3 387.399 3.839 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736154360 599055192 /nfs/dbraw/zinc/05/51/92/599055192.db2.gz UMDUDDLOBYQOTJ-XMXAVACDSA-N -1 3 387.399 3.839 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736154354 599055330 /nfs/dbraw/zinc/05/53/30/599055330.db2.gz UMDUDDLOBYQOTJ-GCZGRYASSA-N -1 3 387.399 3.839 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736154354 599055331 /nfs/dbraw/zinc/05/53/31/599055331.db2.gz UMDUDDLOBYQOTJ-GCZGRYASSA-N -1 3 387.399 3.839 20 0 GHADHM CC(C)c1ccccc1OCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735932497 599055617 /nfs/dbraw/zinc/05/56/17/599055617.db2.gz MXYAGAIPYWFAEJ-UHFFFAOYSA-N -1 3 392.385 3.895 20 0 GHADHM CC(C)c1ccccc1OCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735932497 599055620 /nfs/dbraw/zinc/05/56/20/599055620.db2.gz MXYAGAIPYWFAEJ-UHFFFAOYSA-N -1 3 392.385 3.895 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc2ncccc21 ZINC000736192797 599063120 /nfs/dbraw/zinc/06/31/20/599063120.db2.gz MILOLTHNBBIVQB-LLVKDONJSA-N -1 3 394.435 3.673 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc2ncccc21 ZINC000736192797 599063123 /nfs/dbraw/zinc/06/31/23/599063123.db2.gz MILOLTHNBBIVQB-LLVKDONJSA-N -1 3 394.435 3.673 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737216412 599063620 /nfs/dbraw/zinc/06/36/20/599063620.db2.gz SQMYNPKMFUJBMR-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737216412 599063625 /nfs/dbraw/zinc/06/36/25/599063625.db2.gz SQMYNPKMFUJBMR-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000736193383 599065131 /nfs/dbraw/zinc/06/51/31/599065131.db2.gz QJALRQIKJKIBRG-MNOVXSKESA-N -1 3 389.431 3.503 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000736193383 599065135 /nfs/dbraw/zinc/06/51/35/599065135.db2.gz QJALRQIKJKIBRG-MNOVXSKESA-N -1 3 389.431 3.503 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503706 599070363 /nfs/dbraw/zinc/07/03/63/599070363.db2.gz ZZZDPQLPBCOSEU-PZPSRYQVSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503706 599070365 /nfs/dbraw/zinc/07/03/65/599070365.db2.gz ZZZDPQLPBCOSEU-PZPSRYQVSA-N -1 3 397.429 3.858 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000736672115 599072378 /nfs/dbraw/zinc/07/23/78/599072378.db2.gz YUBZQXSAQYWWEG-WCQYABFASA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000736672115 599072381 /nfs/dbraw/zinc/07/23/81/599072381.db2.gz YUBZQXSAQYWWEG-WCQYABFASA-N -1 3 389.431 3.819 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1C[C@@H]1C1CCCCC1 ZINC000738138981 599074700 /nfs/dbraw/zinc/07/47/00/599074700.db2.gz JMTLXCKOTCGBRX-OLZOCXBDSA-N -1 3 377.395 3.623 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1C[C@@H]1C1CCCCC1 ZINC000738138981 599074703 /nfs/dbraw/zinc/07/47/03/599074703.db2.gz JMTLXCKOTCGBRX-OLZOCXBDSA-N -1 3 377.395 3.623 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736266108 599082764 /nfs/dbraw/zinc/08/27/64/599082764.db2.gz MVCHMOZMJRLRFC-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736269097 599082812 /nfs/dbraw/zinc/08/28/12/599082812.db2.gz ZDNWXAOCDAXUBC-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736269097 599082815 /nfs/dbraw/zinc/08/28/15/599082815.db2.gz ZDNWXAOCDAXUBC-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000737100630 599109700 /nfs/dbraw/zinc/10/97/00/599109700.db2.gz YRWDGYDVLQIZJS-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000737100630 599109702 /nfs/dbraw/zinc/10/97/02/599109702.db2.gz YRWDGYDVLQIZJS-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM O[C@H](C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000823675840 599109805 /nfs/dbraw/zinc/10/98/05/599109805.db2.gz ZXMDJSDFRVYLBH-OXQOHEQNSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@H](C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000823675840 599109806 /nfs/dbraw/zinc/10/98/06/599109806.db2.gz ZXMDJSDFRVYLBH-OXQOHEQNSA-N -1 3 386.459 3.507 20 0 GHADHM Cn1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc2cc(C(F)(F)F)ccc21 ZINC000463304268 599131728 /nfs/dbraw/zinc/13/17/28/599131728.db2.gz VKXWPGAHEWAMKR-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM Cn1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc2cc(C(F)(F)F)ccc21 ZINC000463304268 599131730 /nfs/dbraw/zinc/13/17/30/599131730.db2.gz VKXWPGAHEWAMKR-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822431873 599140986 /nfs/dbraw/zinc/14/09/86/599140986.db2.gz NAEQMOBBSLPOGW-UHFFFAOYSA-N -1 3 382.493 3.561 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822431873 599140987 /nfs/dbraw/zinc/14/09/87/599140987.db2.gz NAEQMOBBSLPOGW-UHFFFAOYSA-N -1 3 382.493 3.561 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000737433345 599146260 /nfs/dbraw/zinc/14/62/60/599146260.db2.gz DUJVHEQDGFXANT-OAHLLOKOSA-N -1 3 385.859 3.742 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000737433345 599146262 /nfs/dbraw/zinc/14/62/62/599146262.db2.gz DUJVHEQDGFXANT-OAHLLOKOSA-N -1 3 385.859 3.742 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000819865779 599146460 /nfs/dbraw/zinc/14/64/60/599146460.db2.gz HTQYEUIYMNWSQU-JTQLQIEISA-N -1 3 377.326 3.796 20 0 GHADHM CCCCC[C@H](C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821049884 599150689 /nfs/dbraw/zinc/15/06/89/599150689.db2.gz NPTLGUYDGIHXKV-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCC[C@H](C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821049884 599150691 /nfs/dbraw/zinc/15/06/91/599150691.db2.gz NPTLGUYDGIHXKV-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735974051 599159561 /nfs/dbraw/zinc/15/95/61/599159561.db2.gz FOIMCMIBGGZJHU-AWEZNQCLSA-N -1 3 399.495 3.549 20 0 GHADHM C[C@@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735974051 599159564 /nfs/dbraw/zinc/15/95/64/599159564.db2.gz FOIMCMIBGGZJHU-AWEZNQCLSA-N -1 3 399.495 3.549 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000735977811 599160710 /nfs/dbraw/zinc/16/07/10/599160710.db2.gz XYFHKJCWUUTTJS-CQSZACIVSA-N -1 3 379.439 3.691 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000735977811 599160711 /nfs/dbraw/zinc/16/07/11/599160711.db2.gz XYFHKJCWUUTTJS-CQSZACIVSA-N -1 3 379.439 3.691 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H](C)c1ccccc1C ZINC000737025776 599160734 /nfs/dbraw/zinc/16/07/34/599160734.db2.gz MWYQJZMHHWQDQD-GFCCVEGCSA-N -1 3 386.839 3.936 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H](C)c1ccccc1C ZINC000737025776 599160735 /nfs/dbraw/zinc/16/07/35/599160735.db2.gz MWYQJZMHHWQDQD-GFCCVEGCSA-N -1 3 386.839 3.936 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738162953 599161393 /nfs/dbraw/zinc/16/13/93/599161393.db2.gz JKLOCYRYCGMSMO-VHSXEESVSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738162953 599161396 /nfs/dbraw/zinc/16/13/96/599161396.db2.gz JKLOCYRYCGMSMO-VHSXEESVSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233490 599161778 /nfs/dbraw/zinc/16/17/78/599161778.db2.gz PYOYVFNMPREHFX-LEWJYISDSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233490 599161779 /nfs/dbraw/zinc/16/17/79/599161779.db2.gz PYOYVFNMPREHFX-LEWJYISDSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233248 599162247 /nfs/dbraw/zinc/16/22/47/599162247.db2.gz LDTDPFJTTGLWGF-MBULPPGGSA-N -1 3 387.487 3.983 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233248 599162249 /nfs/dbraw/zinc/16/22/49/599162249.db2.gz LDTDPFJTTGLWGF-MBULPPGGSA-N -1 3 387.487 3.983 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000823235381 599165759 /nfs/dbraw/zinc/16/57/59/599165759.db2.gz SPQBRRCNCHNPGC-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000823235381 599165762 /nfs/dbraw/zinc/16/57/62/599165762.db2.gz SPQBRRCNCHNPGC-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCCCC1 ZINC000735735950 599168474 /nfs/dbraw/zinc/16/84/74/599168474.db2.gz QXYOJKBEYXORCC-MRXNPFEDSA-N -1 3 377.489 3.571 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCCCC1 ZINC000735735950 599168476 /nfs/dbraw/zinc/16/84/76/599168476.db2.gz QXYOJKBEYXORCC-MRXNPFEDSA-N -1 3 377.489 3.571 20 0 GHADHM CC(C)[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735719295 599173104 /nfs/dbraw/zinc/17/31/04/599173104.db2.gz BANYYMKQLVEONG-GOSISDBHSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735719295 599173106 /nfs/dbraw/zinc/17/31/06/599173106.db2.gz BANYYMKQLVEONG-GOSISDBHSA-N -1 3 385.468 3.611 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1Cc2ccccc21 ZINC000738173912 599188408 /nfs/dbraw/zinc/18/84/08/599188408.db2.gz VMUQUSCDCKASBP-OAQYLSRUSA-N -1 3 397.438 3.724 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1Cc2ccccc21 ZINC000738173912 599188411 /nfs/dbraw/zinc/18/84/11/599188411.db2.gz VMUQUSCDCKASBP-OAQYLSRUSA-N -1 3 397.438 3.724 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000735511278 599186422 /nfs/dbraw/zinc/18/64/22/599186422.db2.gz FUYBVMMREFAKJI-SNVBAGLBSA-N -1 3 393.344 3.791 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000735511278 599186425 /nfs/dbraw/zinc/18/64/25/599186425.db2.gz FUYBVMMREFAKJI-SNVBAGLBSA-N -1 3 393.344 3.791 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000737294072 599187139 /nfs/dbraw/zinc/18/71/39/599187139.db2.gz LLOSKCVHGSAZIS-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000737294072 599187141 /nfs/dbraw/zinc/18/71/41/599187141.db2.gz LLOSKCVHGSAZIS-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000735905170 599187310 /nfs/dbraw/zinc/18/73/10/599187310.db2.gz GHPSLGFOLGBKMY-HNNXBMFYSA-N -1 3 382.424 3.616 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000735905170 599187312 /nfs/dbraw/zinc/18/73/12/599187312.db2.gz GHPSLGFOLGBKMY-HNNXBMFYSA-N -1 3 382.424 3.616 20 0 GHADHM CC(C)(NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000735678359 599191567 /nfs/dbraw/zinc/19/15/67/599191567.db2.gz OKSJRFRNMBQJGE-UHFFFAOYSA-N -1 3 378.914 3.803 20 0 GHADHM CC(C)(NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000735678359 599191570 /nfs/dbraw/zinc/19/15/70/599191570.db2.gz OKSJRFRNMBQJGE-UHFFFAOYSA-N -1 3 378.914 3.803 20 0 GHADHM O=C(Nc1cccnc1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738198224 599196282 /nfs/dbraw/zinc/19/62/82/599196282.db2.gz SBNUGUHOZSQRRC-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccnc1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738198224 599196285 /nfs/dbraw/zinc/19/62/85/599196285.db2.gz SBNUGUHOZSQRRC-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000823066104 599197645 /nfs/dbraw/zinc/19/76/45/599197645.db2.gz LUDNTVSXJCZLAJ-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000823066104 599197646 /nfs/dbraw/zinc/19/76/46/599197646.db2.gz LUDNTVSXJCZLAJ-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000737997536 599198444 /nfs/dbraw/zinc/19/84/44/599198444.db2.gz WUHTXIJZYSYHNA-QGZVFWFLSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000737997536 599198445 /nfs/dbraw/zinc/19/84/45/599198445.db2.gz WUHTXIJZYSYHNA-QGZVFWFLSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000822955144 599205511 /nfs/dbraw/zinc/20/55/11/599205511.db2.gz JQILJWPJQMFHDV-LJQANCHMSA-N -1 3 395.438 3.529 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000822955144 599205512 /nfs/dbraw/zinc/20/55/12/599205512.db2.gz JQILJWPJQMFHDV-LJQANCHMSA-N -1 3 395.438 3.529 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000820045570 599210732 /nfs/dbraw/zinc/21/07/32/599210732.db2.gz NRRVQKUEKXKSSM-IBGZPJMESA-N -1 3 393.516 3.747 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000820045570 599210735 /nfs/dbraw/zinc/21/07/35/599210735.db2.gz NRRVQKUEKXKSSM-IBGZPJMESA-N -1 3 393.516 3.747 20 0 GHADHM O=C(c1ccccn1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738286040 599211912 /nfs/dbraw/zinc/21/19/12/599211912.db2.gz MBLIAFFNZDAIMX-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccccn1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738286040 599211916 /nfs/dbraw/zinc/21/19/16/599211916.db2.gz MBLIAFFNZDAIMX-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923136 599214546 /nfs/dbraw/zinc/21/45/46/599214546.db2.gz LCABEOUWAYAHIW-UHFFFAOYSA-N -1 3 392.507 3.764 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923136 599214549 /nfs/dbraw/zinc/21/45/49/599214549.db2.gz LCABEOUWAYAHIW-UHFFFAOYSA-N -1 3 392.507 3.764 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821481537 599221088 /nfs/dbraw/zinc/22/10/88/599221088.db2.gz KWRSNVPTJBAJSB-DNVCBOLYSA-N -1 3 393.491 3.955 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821481537 599221091 /nfs/dbraw/zinc/22/10/91/599221091.db2.gz KWRSNVPTJBAJSB-DNVCBOLYSA-N -1 3 393.491 3.955 20 0 GHADHM CCCC[C@@H](CC)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736437856 599224538 /nfs/dbraw/zinc/22/45/38/599224538.db2.gz GSRZPNALECLTMB-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)N(C(=S)N[C@H]1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820112381 599224765 /nfs/dbraw/zinc/22/47/65/599224765.db2.gz SLBKIZQYCXKPKD-SFHVURJKSA-N -1 3 392.532 3.514 20 0 GHADHM CC(C)N(C(=S)N[C@H]1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820112381 599224768 /nfs/dbraw/zinc/22/47/68/599224768.db2.gz SLBKIZQYCXKPKD-SFHVURJKSA-N -1 3 392.532 3.514 20 0 GHADHM CCOc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821430826 599225924 /nfs/dbraw/zinc/22/59/24/599225924.db2.gz FQFMTKUZQKDIRJ-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM CCOc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821430826 599225927 /nfs/dbraw/zinc/22/59/27/599225927.db2.gz FQFMTKUZQKDIRJ-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736354533 599233189 /nfs/dbraw/zinc/23/31/89/599233189.db2.gz UIQJGBMWNKUGNK-HXUWFJFHSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736354533 599233192 /nfs/dbraw/zinc/23/31/92/599233192.db2.gz UIQJGBMWNKUGNK-HXUWFJFHSA-N -1 3 377.492 3.587 20 0 GHADHM O=C(CSCCc1ccc2ccccc2c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823060762 599226628 /nfs/dbraw/zinc/22/66/28/599226628.db2.gz KWXCMQVVLAGKSX-UHFFFAOYSA-N -1 3 389.484 3.934 20 0 GHADHM O=C(CSCCc1ccc2ccccc2c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823060762 599226631 /nfs/dbraw/zinc/22/66/31/599226631.db2.gz KWXCMQVVLAGKSX-UHFFFAOYSA-N -1 3 389.484 3.934 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822061715 607269813 /nfs/dbraw/zinc/26/98/13/607269813.db2.gz VRLGIFBLPUAVAR-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822061715 607269814 /nfs/dbraw/zinc/26/98/14/607269814.db2.gz VRLGIFBLPUAVAR-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1c(NC(=O)c2cc(Cl)ccc2Br)cccc1-c1nnn[n-]1 ZINC000822109319 607271860 /nfs/dbraw/zinc/27/18/60/607271860.db2.gz QFHODEXIGBISPA-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2cc(Cl)ccc2Br)cccc1-c1nn[n-]n1 ZINC000822109319 607271861 /nfs/dbraw/zinc/27/18/61/607271861.db2.gz QFHODEXIGBISPA-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C([O-])c1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000426682813 597135361 /nfs/dbraw/zinc/13/53/61/597135361.db2.gz MBWOLMJUXTURJN-UHFFFAOYSA-N -1 3 384.439 3.922 20 0 GHADHM CC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1OC(F)F ZINC000819765327 607269371 /nfs/dbraw/zinc/26/93/71/607269371.db2.gz OOCUYKCCHIXBQV-KHPPLWFESA-N -1 3 385.374 3.819 20 0 GHADHM CC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1OC(F)F ZINC000819765327 607269372 /nfs/dbraw/zinc/26/93/72/607269372.db2.gz OOCUYKCCHIXBQV-KHPPLWFESA-N -1 3 385.374 3.819 20 0 GHADHM Cc1cccc2c(CCNC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH]c21 ZINC000822331551 599248163 /nfs/dbraw/zinc/24/81/63/599248163.db2.gz HFGWLMDOBMIXIV-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1cccc2c(CCNC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c[nH]c21 ZINC000822331551 599248165 /nfs/dbraw/zinc/24/81/65/599248165.db2.gz HFGWLMDOBMIXIV-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM COc1ccccc1CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737150671 599255239 /nfs/dbraw/zinc/25/52/39/599255239.db2.gz RDWJLZHKDGOGEI-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM COc1ccccc1CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737150671 599255241 /nfs/dbraw/zinc/25/52/41/599255241.db2.gz RDWJLZHKDGOGEI-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821431089 607288956 /nfs/dbraw/zinc/28/89/56/607288956.db2.gz LPRNNRLZBVHSTR-INIZCTEOSA-N -1 3 380.452 3.847 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821431089 607288957 /nfs/dbraw/zinc/28/89/57/607288957.db2.gz LPRNNRLZBVHSTR-INIZCTEOSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000822084959 607283197 /nfs/dbraw/zinc/28/31/97/607283197.db2.gz UBYSLAROOAMHPG-QGZVFWFLSA-N -1 3 376.464 3.977 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822084959 607283198 /nfs/dbraw/zinc/28/31/98/607283198.db2.gz UBYSLAROOAMHPG-QGZVFWFLSA-N -1 3 376.464 3.977 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084985 607286292 /nfs/dbraw/zinc/28/62/92/607286292.db2.gz UVFKZULCBIGAPR-WFASDCNBSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084985 607286293 /nfs/dbraw/zinc/28/62/93/607286293.db2.gz UVFKZULCBIGAPR-WFASDCNBSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389681 599262390 /nfs/dbraw/zinc/26/23/90/599262390.db2.gz NGEKZXJQPFUMMX-FQEVSTJZSA-N -1 3 391.475 3.698 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389681 599262392 /nfs/dbraw/zinc/26/23/92/599262392.db2.gz NGEKZXJQPFUMMX-FQEVSTJZSA-N -1 3 391.475 3.698 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820120285 607300138 /nfs/dbraw/zinc/30/01/38/607300138.db2.gz AERAJDGEBFBHOY-UHFFFAOYSA-N -1 3 391.262 3.619 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820120285 607300139 /nfs/dbraw/zinc/30/01/39/607300139.db2.gz AERAJDGEBFBHOY-UHFFFAOYSA-N -1 3 391.262 3.619 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819940349 607313966 /nfs/dbraw/zinc/31/39/66/607313966.db2.gz XYNUHAKGPPWWJO-UHFFFAOYSA-N -1 3 386.481 3.565 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819940349 607313967 /nfs/dbraw/zinc/31/39/67/607313967.db2.gz XYNUHAKGPPWWJO-UHFFFAOYSA-N -1 3 386.481 3.565 20 0 GHADHM C[C@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820225826 607303735 /nfs/dbraw/zinc/30/37/35/607303735.db2.gz QBHKQTNIBSYXBB-SECBINFHSA-N -1 3 392.282 3.823 20 0 GHADHM C[C@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820225826 607303736 /nfs/dbraw/zinc/30/37/36/607303736.db2.gz QBHKQTNIBSYXBB-SECBINFHSA-N -1 3 392.282 3.823 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)[C@H](C)c1cccc(O)c1 ZINC000821407534 599267476 /nfs/dbraw/zinc/26/74/76/599267476.db2.gz SQILFEPNIHAGDJ-CYBMUJFWSA-N -1 3 396.451 3.586 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)[C@H](C)c1cccc(O)c1 ZINC000821407534 599267478 /nfs/dbraw/zinc/26/74/78/599267478.db2.gz SQILFEPNIHAGDJ-CYBMUJFWSA-N -1 3 396.451 3.586 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000821761915 599271789 /nfs/dbraw/zinc/27/17/89/599271789.db2.gz GUTMCYYJAOHQQK-SFHVURJKSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000821761915 599271792 /nfs/dbraw/zinc/27/17/92/599271792.db2.gz GUTMCYYJAOHQQK-SFHVURJKSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821763045 599275276 /nfs/dbraw/zinc/27/52/76/599275276.db2.gz UCYCWZKZOYPYJQ-INIZCTEOSA-N -1 3 378.436 3.538 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821763045 599275279 /nfs/dbraw/zinc/27/52/79/599275279.db2.gz UCYCWZKZOYPYJQ-INIZCTEOSA-N -1 3 378.436 3.538 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000821028654 599277011 /nfs/dbraw/zinc/27/70/11/599277011.db2.gz XWVWEGTZZTWYSW-GOSISDBHSA-N -1 3 394.426 3.902 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000821028654 599277012 /nfs/dbraw/zinc/27/70/12/599277012.db2.gz XWVWEGTZZTWYSW-GOSISDBHSA-N -1 3 394.426 3.902 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821034660 599277218 /nfs/dbraw/zinc/27/72/18/599277218.db2.gz QTDRBVOAISFAHQ-SMDDNHRTSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821034660 599277220 /nfs/dbraw/zinc/27/72/20/599277220.db2.gz QTDRBVOAISFAHQ-SMDDNHRTSA-N -1 3 394.426 3.901 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380428 599283260 /nfs/dbraw/zinc/28/32/60/599283260.db2.gz SMXMQHXLVBSBOQ-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380428 599283262 /nfs/dbraw/zinc/28/32/62/599283262.db2.gz SMXMQHXLVBSBOQ-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM CCSCc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821461899 599283767 /nfs/dbraw/zinc/28/37/67/599283767.db2.gz VFWGHCMVUXGRBO-UHFFFAOYSA-N -1 3 386.456 3.581 20 0 GHADHM CCSCc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821461899 599283770 /nfs/dbraw/zinc/28/37/70/599283770.db2.gz VFWGHCMVUXGRBO-UHFFFAOYSA-N -1 3 386.456 3.581 20 0 GHADHM Cc1nc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)sc1C ZINC000737247033 599284460 /nfs/dbraw/zinc/28/44/60/599284460.db2.gz XSJOLSAMZJUREW-UHFFFAOYSA-N -1 3 386.428 3.955 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823257791 599287530 /nfs/dbraw/zinc/28/75/30/599287530.db2.gz UAQGGKXVPUYSIL-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823257791 599287532 /nfs/dbraw/zinc/28/75/32/599287532.db2.gz UAQGGKXVPUYSIL-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822423682 607321408 /nfs/dbraw/zinc/32/14/08/607321408.db2.gz MILUEGDSQSLROO-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822423682 607321409 /nfs/dbraw/zinc/32/14/09/607321409.db2.gz MILUEGDSQSLROO-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822408983 599290376 /nfs/dbraw/zinc/29/03/76/599290376.db2.gz LJKAKUSTZJOQOM-MRVPVSSYSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1csc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822408983 599290378 /nfs/dbraw/zinc/29/03/78/599290378.db2.gz LJKAKUSTZJOQOM-MRVPVSSYSA-N -1 3 397.386 3.533 20 0 GHADHM O=C([O-])c1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000821552681 598194169 /nfs/dbraw/zinc/19/41/69/598194169.db2.gz OXAPNQOSUPHEBX-UHFFFAOYSA-N -1 3 384.439 3.922 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735594789 598233126 /nfs/dbraw/zinc/23/31/26/598233126.db2.gz CGEFVGXVIAHWMI-GOSISDBHSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735594789 598233129 /nfs/dbraw/zinc/23/31/29/598233129.db2.gz CGEFVGXVIAHWMI-GOSISDBHSA-N -1 3 395.463 3.689 20 0 GHADHM CCC(CC)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736341574 598239121 /nfs/dbraw/zinc/23/91/21/598239121.db2.gz DINPAADGKANUOO-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CCC(CC)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736341574 598239122 /nfs/dbraw/zinc/23/91/22/598239122.db2.gz DINPAADGKANUOO-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735922967 598268487 /nfs/dbraw/zinc/26/84/87/598268487.db2.gz PXAWETAERARTKF-UHFFFAOYSA-N -1 3 378.480 3.725 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735922967 598268489 /nfs/dbraw/zinc/26/84/89/598268489.db2.gz PXAWETAERARTKF-UHFFFAOYSA-N -1 3 378.480 3.725 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000737418158 598279629 /nfs/dbraw/zinc/27/96/29/598279629.db2.gz NARXGSXQYCXNDN-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000737418158 598279630 /nfs/dbraw/zinc/27/96/30/598279630.db2.gz NARXGSXQYCXNDN-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736827506 598282423 /nfs/dbraw/zinc/28/24/23/598282423.db2.gz FJZKXQVBZRIGKW-UHFFFAOYSA-N -1 3 398.470 3.875 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736827506 598282425 /nfs/dbraw/zinc/28/24/25/598282425.db2.gz FJZKXQVBZRIGKW-UHFFFAOYSA-N -1 3 398.470 3.875 20 0 GHADHM CSc1cccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737191666 598297191 /nfs/dbraw/zinc/29/71/91/598297191.db2.gz QFVCLHZEVXEKSQ-GOSISDBHSA-N -1 3 397.504 3.655 20 0 GHADHM CSc1cccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737191666 598297193 /nfs/dbraw/zinc/29/71/93/598297193.db2.gz QFVCLHZEVXEKSQ-GOSISDBHSA-N -1 3 397.504 3.655 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1SC(F)(F)F ZINC000738102089 598303024 /nfs/dbraw/zinc/30/30/24/598303024.db2.gz MWOLVSXCTZLZEC-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1SC(F)(F)F ZINC000738102089 598303027 /nfs/dbraw/zinc/30/30/27/598303027.db2.gz MWOLVSXCTZLZEC-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)-c1ccccc1C2 ZINC000738103176 598304308 /nfs/dbraw/zinc/30/43/08/598304308.db2.gz ZLHOUVACIUPVMP-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)-c1ccccc1C2 ZINC000738103176 598304311 /nfs/dbraw/zinc/30/43/11/598304311.db2.gz ZLHOUVACIUPVMP-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM C[C@]12CC3CC(C(=O)NCc4ccc(-c5nnn[n-]5)cc4F)(C1)C[C@@](C)(C3)C2 ZINC000736229161 598304525 /nfs/dbraw/zinc/30/45/25/598304525.db2.gz LASVFRXAASUFSM-SWOGZVPRSA-N -1 3 383.471 3.619 20 0 GHADHM C[C@]12CC3CC(C(=O)NCc4ccc(-c5nn[n-]n5)cc4F)(C1)C[C@@](C)(C3)C2 ZINC000736229161 598304526 /nfs/dbraw/zinc/30/45/26/598304526.db2.gz LASVFRXAASUFSM-SWOGZVPRSA-N -1 3 383.471 3.619 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(-c5nnn[n-]5)cc4F)c23)C1 ZINC000736280244 598309513 /nfs/dbraw/zinc/30/95/13/598309513.db2.gz PFSPISCDKOVTMJ-SNVBAGLBSA-N -1 3 395.467 3.747 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(-c5nn[n-]n5)cc4F)c23)C1 ZINC000736280244 598309515 /nfs/dbraw/zinc/30/95/15/598309515.db2.gz PFSPISCDKOVTMJ-SNVBAGLBSA-N -1 3 395.467 3.747 20 0 GHADHM S=C(NCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401832 598318020 /nfs/dbraw/zinc/31/80/20/598318020.db2.gz UZZKRZAOVGNXJG-UHFFFAOYSA-N -1 3 397.895 3.531 20 0 GHADHM S=C(NCCc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401832 598318023 /nfs/dbraw/zinc/31/80/23/598318023.db2.gz UZZKRZAOVGNXJG-UHFFFAOYSA-N -1 3 397.895 3.531 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736301419 598318378 /nfs/dbraw/zinc/31/83/78/598318378.db2.gz BHIRNTYWWPHAMX-SECBINFHSA-N -1 3 390.925 3.898 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736301419 598318380 /nfs/dbraw/zinc/31/83/80/598318380.db2.gz BHIRNTYWWPHAMX-SECBINFHSA-N -1 3 390.925 3.898 20 0 GHADHM Fc1cc2c(cc1F)N(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737649192 598320570 /nfs/dbraw/zinc/32/05/70/598320570.db2.gz DJYRAOWNNFVLQJ-UHFFFAOYSA-N -1 3 392.822 3.558 20 0 GHADHM Fc1cc2c(cc1F)N(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737649192 598320572 /nfs/dbraw/zinc/32/05/72/598320572.db2.gz DJYRAOWNNFVLQJ-UHFFFAOYSA-N -1 3 392.822 3.558 20 0 GHADHM COc1c(Cl)cccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737026330 598322725 /nfs/dbraw/zinc/32/27/25/598322725.db2.gz QONVWPMLUKKODF-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM COc1c(Cl)cccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737026330 598322726 /nfs/dbraw/zinc/32/27/26/598322726.db2.gz QONVWPMLUKKODF-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM Fc1cccc(Cl)c1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737659476 598324275 /nfs/dbraw/zinc/32/42/75/598324275.db2.gz DIZJOKSIJLLSLU-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1cccc(Cl)c1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737659476 598324277 /nfs/dbraw/zinc/32/42/77/598324277.db2.gz DIZJOKSIJLLSLU-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Cc1ccccc1C1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737424870 598324318 /nfs/dbraw/zinc/32/43/18/598324318.db2.gz YSGDZIRMEPAROH-UHFFFAOYSA-N -1 3 398.923 3.847 20 0 GHADHM Cc1ccccc1C1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737424870 598324319 /nfs/dbraw/zinc/32/43/19/598324319.db2.gz YSGDZIRMEPAROH-UHFFFAOYSA-N -1 3 398.923 3.847 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(SC(F)F)c1 ZINC000738099320 598324804 /nfs/dbraw/zinc/32/48/04/598324804.db2.gz GLWJIYDTEKTISQ-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(SC(F)F)c1 ZINC000738099320 598324805 /nfs/dbraw/zinc/32/48/05/598324805.db2.gz GLWJIYDTEKTISQ-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM CCC(=O)c1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000820843001 607351006 /nfs/dbraw/zinc/35/10/06/607351006.db2.gz RYRAEVQRJYNTBG-LJQANCHMSA-N -1 3 393.447 3.502 20 0 GHADHM CCC(=O)c1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000820843001 607351009 /nfs/dbraw/zinc/35/10/09/607351009.db2.gz RYRAEVQRJYNTBG-LJQANCHMSA-N -1 3 393.447 3.502 20 0 GHADHM O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738144147 598361317 /nfs/dbraw/zinc/36/13/17/598361317.db2.gz JJOOGTGRLUQOOM-UHFFFAOYSA-N -1 3 399.389 3.801 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000737603298 598365594 /nfs/dbraw/zinc/36/55/94/598365594.db2.gz OSFNSMDYBQBQLZ-UHFFFAOYSA-N -1 3 385.859 3.554 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000737603298 598365595 /nfs/dbraw/zinc/36/55/95/598365595.db2.gz OSFNSMDYBQBQLZ-UHFFFAOYSA-N -1 3 385.859 3.554 20 0 GHADHM O=C(Nc1ccc(F)cn1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000738164984 598374561 /nfs/dbraw/zinc/37/45/61/598374561.db2.gz AQRQUBMCCWITLP-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(F)cn1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000738164984 598374563 /nfs/dbraw/zinc/37/45/63/598374563.db2.gz AQRQUBMCCWITLP-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)cc1Cl ZINC000738321758 598381032 /nfs/dbraw/zinc/38/10/32/598381032.db2.gz YZRINKRQKPDOIS-AUWJEWJLSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)cc1Cl ZINC000738321758 598381033 /nfs/dbraw/zinc/38/10/33/598381033.db2.gz YZRINKRQKPDOIS-AUWJEWJLSA-N -1 3 386.198 3.518 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Br ZINC000736137194 598387715 /nfs/dbraw/zinc/38/77/15/598387715.db2.gz KRLOZIPOTXUHLU-MRVPVSSYSA-N -1 3 379.649 3.851 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Br ZINC000736137194 598387716 /nfs/dbraw/zinc/38/77/16/598387716.db2.gz KRLOZIPOTXUHLU-MRVPVSSYSA-N -1 3 379.649 3.851 20 0 GHADHM Clc1ccc2sc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)nc2c1 ZINC000737574428 598388252 /nfs/dbraw/zinc/38/82/52/598388252.db2.gz KCVSFQSPCDUYPM-UHFFFAOYSA-N -1 3 392.275 3.833 20 0 GHADHM Clc1ccc2sc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)nc2c1 ZINC000737574428 598388254 /nfs/dbraw/zinc/38/82/54/598388254.db2.gz KCVSFQSPCDUYPM-UHFFFAOYSA-N -1 3 392.275 3.833 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccnc(OCc2ccccc2)c1 ZINC000737558627 598390266 /nfs/dbraw/zinc/39/02/66/598390266.db2.gz PBHOAKVFVJGSKK-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccnc(OCc2ccccc2)c1 ZINC000737558627 598390268 /nfs/dbraw/zinc/39/02/68/598390268.db2.gz PBHOAKVFVJGSKK-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736319404 598390653 /nfs/dbraw/zinc/39/06/53/598390653.db2.gz KELGYSYQYNXYPS-NSHDSACASA-N -1 3 385.859 3.512 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736319404 598390655 /nfs/dbraw/zinc/39/06/55/598390655.db2.gz KELGYSYQYNXYPS-NSHDSACASA-N -1 3 385.859 3.512 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1OC(C)C)CC2 ZINC000737372304 598393252 /nfs/dbraw/zinc/39/32/52/598393252.db2.gz WXBBPDFEWZRTJN-QGZVFWFLSA-N -1 3 392.463 3.771 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1OC(C)C)CC2 ZINC000737372304 598393254 /nfs/dbraw/zinc/39/32/54/598393254.db2.gz WXBBPDFEWZRTJN-QGZVFWFLSA-N -1 3 392.463 3.771 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=C(C)Cc2ccccc2OC)s1 ZINC000736679537 598395627 /nfs/dbraw/zinc/39/56/27/598395627.db2.gz WQNIMCCXBDSZAI-BENRWUELSA-N -1 3 383.477 3.627 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)/C=C(/C)Cc2ccccc2OC)s1 ZINC000736679537 598395628 /nfs/dbraw/zinc/39/56/28/598395628.db2.gz WQNIMCCXBDSZAI-BENRWUELSA-N -1 3 383.477 3.627 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736686748 598416661 /nfs/dbraw/zinc/41/66/61/598416661.db2.gz QQCSFKVAUSQHHX-ZIAGYGMSSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736686748 598416664 /nfs/dbraw/zinc/41/66/64/598416664.db2.gz QQCSFKVAUSQHHX-ZIAGYGMSSA-N -1 3 381.505 3.787 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736189230 598416770 /nfs/dbraw/zinc/41/67/70/598416770.db2.gz BMTPCHYRKUHCGW-DOMZBBRYSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736189230 598416771 /nfs/dbraw/zinc/41/67/71/598416771.db2.gz BMTPCHYRKUHCGW-DOMZBBRYSA-N -1 3 385.518 3.773 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCc2sccc2C1 ZINC000738400944 598418860 /nfs/dbraw/zinc/41/88/60/598418860.db2.gz LERMPVOVWRTGIS-UHFFFAOYSA-N -1 3 390.925 3.727 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCc2sccc2C1 ZINC000738400944 598418863 /nfs/dbraw/zinc/41/88/63/598418863.db2.gz LERMPVOVWRTGIS-UHFFFAOYSA-N -1 3 390.925 3.727 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1sccc1-c1nnn[n-]1 ZINC000737860528 598420038 /nfs/dbraw/zinc/42/00/38/598420038.db2.gz SNWIAAAZWGQUJR-UHFFFAOYSA-N -1 3 390.881 3.763 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1sccc1-c1nn[n-]n1 ZINC000737860528 598420040 /nfs/dbraw/zinc/42/00/40/598420040.db2.gz SNWIAAAZWGQUJR-UHFFFAOYSA-N -1 3 390.881 3.763 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000520352265 598420257 /nfs/dbraw/zinc/42/02/57/598420257.db2.gz QKUAYMFUVJCIJH-CABCVRRESA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000520352265 598420258 /nfs/dbraw/zinc/42/02/58/598420258.db2.gz QKUAYMFUVJCIJH-CABCVRRESA-N -1 3 388.258 3.593 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2nccn2C(C)C)n1 ZINC000737245331 598420386 /nfs/dbraw/zinc/42/03/86/598420386.db2.gz NJGBAOIPONAVMQ-UHFFFAOYSA-N -1 3 383.403 3.659 20 0 GHADHM CCc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000736690587 598428708 /nfs/dbraw/zinc/42/87/08/598428708.db2.gz LPYTVLQWKNBOPA-UHFFFAOYSA-N -1 3 384.509 3.611 20 0 GHADHM CCc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000736690587 598428710 /nfs/dbraw/zinc/42/87/10/598428710.db2.gz LPYTVLQWKNBOPA-UHFFFAOYSA-N -1 3 384.509 3.611 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000735874497 598428913 /nfs/dbraw/zinc/42/89/13/598428913.db2.gz IXSRSZNSBSPPEG-IBGZPJMESA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000735874497 598428914 /nfs/dbraw/zinc/42/89/14/598428914.db2.gz IXSRSZNSBSPPEG-IBGZPJMESA-N -1 3 394.454 3.613 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113338 598429565 /nfs/dbraw/zinc/42/95/65/598429565.db2.gz YOQWPXAPVXHSBK-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113338 598429567 /nfs/dbraw/zinc/42/95/67/598429567.db2.gz YOQWPXAPVXHSBK-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823302931 607354886 /nfs/dbraw/zinc/35/48/86/607354886.db2.gz AWOUPYOCFNXTCD-UHFFFAOYSA-N -1 3 390.781 3.660 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823302931 607354887 /nfs/dbraw/zinc/35/48/87/607354887.db2.gz AWOUPYOCFNXTCD-UHFFFAOYSA-N -1 3 390.781 3.660 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000736712836 598435422 /nfs/dbraw/zinc/43/54/22/598435422.db2.gz FLZLQHASPSDSPJ-UHFFFAOYSA-N -1 3 383.415 3.642 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000736712836 598435423 /nfs/dbraw/zinc/43/54/23/598435423.db2.gz FLZLQHASPSDSPJ-UHFFFAOYSA-N -1 3 383.415 3.642 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1 ZINC000737074952 598436860 /nfs/dbraw/zinc/43/68/60/598436860.db2.gz ZNXKGNHBSKTRHM-VXGBXAGGSA-N -1 3 397.504 3.804 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1 ZINC000737074952 598436861 /nfs/dbraw/zinc/43/68/61/598436861.db2.gz ZNXKGNHBSKTRHM-VXGBXAGGSA-N -1 3 397.504 3.804 20 0 GHADHM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736431317 598449354 /nfs/dbraw/zinc/44/93/54/598449354.db2.gz OSUFNJLDPDPCDD-AWEZNQCLSA-N -1 3 391.262 3.840 20 0 GHADHM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736431317 598449356 /nfs/dbraw/zinc/44/93/56/598449356.db2.gz OSUFNJLDPDPCDD-AWEZNQCLSA-N -1 3 391.262 3.840 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC000736259423 598449543 /nfs/dbraw/zinc/44/95/43/598449543.db2.gz FDLLNLXTRDZWLS-KBXCAEBGSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC000736259423 598449545 /nfs/dbraw/zinc/44/95/45/598449545.db2.gz FDLLNLXTRDZWLS-KBXCAEBGSA-N -1 3 392.463 3.609 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccc2[nH]ccc2c1 ZINC000738175514 598460278 /nfs/dbraw/zinc/46/02/78/598460278.db2.gz OJSPFNVVNSNRID-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccc2[nH]ccc2c1 ZINC000738175514 598460279 /nfs/dbraw/zinc/46/02/79/598460279.db2.gz OJSPFNVVNSNRID-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc2cc(F)ccc21 ZINC000736720420 598460979 /nfs/dbraw/zinc/46/09/79/598460979.db2.gz PUTIMNMVDZFCHK-UHFFFAOYSA-N -1 3 391.454 3.540 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc2cc(F)ccc21 ZINC000736720420 598460981 /nfs/dbraw/zinc/46/09/81/598460981.db2.gz PUTIMNMVDZFCHK-UHFFFAOYSA-N -1 3 391.454 3.540 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000735657609 598467767 /nfs/dbraw/zinc/46/77/67/598467767.db2.gz RZHTZXHJDNDNTI-UHFFFAOYSA-N -1 3 397.508 3.817 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000735657609 598467768 /nfs/dbraw/zinc/46/77/68/598467768.db2.gz RZHTZXHJDNDNTI-UHFFFAOYSA-N -1 3 397.508 3.817 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738236905 598473931 /nfs/dbraw/zinc/47/39/31/598473931.db2.gz UNDCFSJJVBJELI-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738236905 598473932 /nfs/dbraw/zinc/47/39/32/598473932.db2.gz UNDCFSJJVBJELI-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113683 598479351 /nfs/dbraw/zinc/47/93/51/598479351.db2.gz RPDUFRRKNDGMCD-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113683 598479353 /nfs/dbraw/zinc/47/93/53/598479353.db2.gz RPDUFRRKNDGMCD-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736157893 598484008 /nfs/dbraw/zinc/48/40/08/598484008.db2.gz DULWHMILCQLDPY-CYBMUJFWSA-N -1 3 387.399 3.552 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736157893 598484009 /nfs/dbraw/zinc/48/40/09/598484009.db2.gz DULWHMILCQLDPY-CYBMUJFWSA-N -1 3 387.399 3.552 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000735656534 598487442 /nfs/dbraw/zinc/48/74/42/598487442.db2.gz ZSXNKIDVVVETPU-GJZGRUSLSA-N -1 3 384.871 3.819 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000735656534 598487444 /nfs/dbraw/zinc/48/74/44/598487444.db2.gz ZSXNKIDVVVETPU-GJZGRUSLSA-N -1 3 384.871 3.819 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1CC(F)(F)F ZINC000737238375 598488431 /nfs/dbraw/zinc/48/84/31/598488431.db2.gz LVOSAUWLXTWLHV-LBPRGKRZSA-N -1 3 393.369 3.765 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1CC(F)(F)F ZINC000737238375 598488433 /nfs/dbraw/zinc/48/84/33/598488433.db2.gz LVOSAUWLXTWLHV-LBPRGKRZSA-N -1 3 393.369 3.765 20 0 GHADHM CCN(c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1)C(C)C ZINC000736564496 598489966 /nfs/dbraw/zinc/48/99/66/598489966.db2.gz GZRWYFSGDKVZTJ-UHFFFAOYSA-N -1 3 395.511 3.910 20 0 GHADHM CCN(c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1)C(C)C ZINC000736564496 598489968 /nfs/dbraw/zinc/48/99/68/598489968.db2.gz GZRWYFSGDKVZTJ-UHFFFAOYSA-N -1 3 395.511 3.910 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736638176 598492236 /nfs/dbraw/zinc/49/22/36/598492236.db2.gz VZQVZCHDAITKRD-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736638176 598492237 /nfs/dbraw/zinc/49/22/37/598492237.db2.gz VZQVZCHDAITKRD-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737954747 598497586 /nfs/dbraw/zinc/49/75/86/598497586.db2.gz RECNTDCBJPZDDB-UHFFFAOYSA-N -1 3 398.879 3.733 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737954747 598497588 /nfs/dbraw/zinc/49/75/88/598497588.db2.gz RECNTDCBJPZDDB-UHFFFAOYSA-N -1 3 398.879 3.733 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NCC1CCC(c2ccccc2)CC1 ZINC000738101122 598511900 /nfs/dbraw/zinc/51/19/00/598511900.db2.gz FLWAIDULJCXJTF-UHFFFAOYSA-N -1 3 390.491 3.640 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NCC1CCC(c2ccccc2)CC1 ZINC000738101122 598511902 /nfs/dbraw/zinc/51/19/02/598511902.db2.gz FLWAIDULJCXJTF-UHFFFAOYSA-N -1 3 390.491 3.640 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111705 598514619 /nfs/dbraw/zinc/51/46/19/598514619.db2.gz JFHLVVDXRZDQPV-UONOGXRCSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111705 598514621 /nfs/dbraw/zinc/51/46/21/598514621.db2.gz JFHLVVDXRZDQPV-UONOGXRCSA-N -1 3 388.258 3.593 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736820963 598533116 /nfs/dbraw/zinc/53/31/16/598533116.db2.gz SGXKIOCJMRCHBE-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736820963 598533118 /nfs/dbraw/zinc/53/31/18/598533118.db2.gz SGXKIOCJMRCHBE-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738100881 598535647 /nfs/dbraw/zinc/53/56/47/598535647.db2.gz UAEVBKIJOZJAHA-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738100881 598535649 /nfs/dbraw/zinc/53/56/49/598535649.db2.gz UAEVBKIJOZJAHA-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3sccc3-c3nnn[n-]3)ccc2o1 ZINC000735617846 598535870 /nfs/dbraw/zinc/53/58/70/598535870.db2.gz CAHCMBNLTSVRKV-UHFFFAOYSA-N -1 3 382.449 3.910 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3sccc3-c3nn[n-]n3)ccc2o1 ZINC000735617846 598535872 /nfs/dbraw/zinc/53/58/72/598535872.db2.gz CAHCMBNLTSVRKV-UHFFFAOYSA-N -1 3 382.449 3.910 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=S)NCC(C)C ZINC000737279615 598537984 /nfs/dbraw/zinc/53/79/84/598537984.db2.gz KMVNHVBWSCQARO-UHFFFAOYSA-N -1 3 396.520 3.697 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=S)NCC(C)C ZINC000737279615 598537986 /nfs/dbraw/zinc/53/79/86/598537986.db2.gz KMVNHVBWSCQARO-UHFFFAOYSA-N -1 3 396.520 3.697 20 0 GHADHM O=C(Nc1ccc(F)cc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738165243 598539685 /nfs/dbraw/zinc/53/96/85/598539685.db2.gz HINQNGYGNAWEJM-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000737059223 598544031 /nfs/dbraw/zinc/54/40/31/598544031.db2.gz SJQMPSYTFFRKMR-CQSZACIVSA-N -1 3 392.463 3.708 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000737059223 598544033 /nfs/dbraw/zinc/54/40/33/598544033.db2.gz SJQMPSYTFFRKMR-CQSZACIVSA-N -1 3 392.463 3.708 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737797255 598546992 /nfs/dbraw/zinc/54/69/92/598546992.db2.gz QRFWGZILUGJBJA-FPYGCLRLSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737797255 598546995 /nfs/dbraw/zinc/54/69/95/598546995.db2.gz QRFWGZILUGJBJA-FPYGCLRLSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(CCc1cccnc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737860991 598553894 /nfs/dbraw/zinc/55/38/94/598553894.db2.gz RGQDSYYDPJCKQV-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1cccnc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737860991 598553896 /nfs/dbraw/zinc/55/38/96/598553896.db2.gz RGQDSYYDPJCKQV-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119173 598555181 /nfs/dbraw/zinc/55/51/81/598555181.db2.gz RFBTYBVVBHZGQP-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119173 598555183 /nfs/dbraw/zinc/55/51/83/598555183.db2.gz RFBTYBVVBHZGQP-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000736821497 598558847 /nfs/dbraw/zinc/55/88/47/598558847.db2.gz XHRBFTJWAFGMAY-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000736821497 598558849 /nfs/dbraw/zinc/55/88/49/598558849.db2.gz XHRBFTJWAFGMAY-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N[C@@H](C)C1CC1 ZINC000737280893 598559181 /nfs/dbraw/zinc/55/91/81/598559181.db2.gz UYNUSCDMNRURET-AWEZNQCLSA-N -1 3 392.463 3.674 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N[C@@H](C)C1CC1 ZINC000737280893 598559182 /nfs/dbraw/zinc/55/91/82/598559182.db2.gz UYNUSCDMNRURET-AWEZNQCLSA-N -1 3 392.463 3.674 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736422945 598560316 /nfs/dbraw/zinc/56/03/16/598560316.db2.gz LCRSNEHRBJPCFO-LSDHHAIUSA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736422945 598560318 /nfs/dbraw/zinc/56/03/18/598560318.db2.gz LCRSNEHRBJPCFO-LSDHHAIUSA-N -1 3 394.479 3.764 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000737337800 598562704 /nfs/dbraw/zinc/56/27/04/598562704.db2.gz RXXPIUHJGUZAFW-UHFFFAOYSA-N -1 3 394.407 3.502 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000737337800 598562706 /nfs/dbraw/zinc/56/27/06/598562706.db2.gz RXXPIUHJGUZAFW-UHFFFAOYSA-N -1 3 394.407 3.502 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736369025 598564949 /nfs/dbraw/zinc/56/49/49/598564949.db2.gz JROFBUVUILELSN-DNVCBOLYSA-N -1 3 378.480 3.667 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736369025 598564950 /nfs/dbraw/zinc/56/49/50/598564950.db2.gz JROFBUVUILELSN-DNVCBOLYSA-N -1 3 378.480 3.667 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000737852569 598570041 /nfs/dbraw/zinc/57/00/41/598570041.db2.gz NZXDYIRKDROXCN-UHFFFAOYSA-N -1 3 385.830 3.571 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000737852569 598570042 /nfs/dbraw/zinc/57/00/42/598570042.db2.gz NZXDYIRKDROXCN-UHFFFAOYSA-N -1 3 385.830 3.571 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737633737 598581060 /nfs/dbraw/zinc/58/10/60/598581060.db2.gz VNMNHDDZSLDFGZ-NSHDSACASA-N -1 3 375.354 3.864 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737633737 598581062 /nfs/dbraw/zinc/58/10/62/598581062.db2.gz VNMNHDDZSLDFGZ-NSHDSACASA-N -1 3 375.354 3.864 20 0 GHADHM Fc1ccc(NC(=S)Nc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737661558 598582649 /nfs/dbraw/zinc/58/26/49/598582649.db2.gz YRNTVUDXCPTOCH-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM Fc1ccc(NC(=S)Nc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737661558 598582650 /nfs/dbraw/zinc/58/26/50/598582650.db2.gz YRNTVUDXCPTOCH-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737835191 598586190 /nfs/dbraw/zinc/58/61/90/598586190.db2.gz FOJYGWHJJIMSPE-UHFFFAOYSA-N -1 3 392.394 3.622 20 0 GHADHM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737835191 598586192 /nfs/dbraw/zinc/58/61/92/598586192.db2.gz FOJYGWHJJIMSPE-UHFFFAOYSA-N -1 3 392.394 3.622 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000738408580 598608815 /nfs/dbraw/zinc/60/88/15/598608815.db2.gz MYSIBQHFNLBEMA-SJLPKXTDSA-N -1 3 392.532 3.955 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000738408580 598608818 /nfs/dbraw/zinc/60/88/18/598608818.db2.gz MYSIBQHFNLBEMA-SJLPKXTDSA-N -1 3 392.532 3.955 20 0 GHADHM FC(F)(F)c1cccc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737635865 598609103 /nfs/dbraw/zinc/60/91/03/598609103.db2.gz ODNUOIITTCEUKU-UHFFFAOYSA-N -1 3 386.337 3.721 20 0 GHADHM c1cc(-c2noc(-c3ccc(COc4ccccc4-c4nnn[n-]4)o3)n2)cs1 ZINC000738427538 598609176 /nfs/dbraw/zinc/60/91/76/598609176.db2.gz XDYBILADBQVPPZ-UHFFFAOYSA-N -1 3 392.400 3.817 20 0 GHADHM c1cc(-c2noc(-c3ccc(COc4ccccc4-c4nn[n-]n4)o3)n2)cs1 ZINC000738427538 598609178 /nfs/dbraw/zinc/60/91/78/598609178.db2.gz XDYBILADBQVPPZ-UHFFFAOYSA-N -1 3 392.400 3.817 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738160778 598628207 /nfs/dbraw/zinc/62/82/07/598628207.db2.gz AZHFNXOLJQCZSG-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738160778 598628209 /nfs/dbraw/zinc/62/82/09/598628209.db2.gz AZHFNXOLJQCZSG-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736490770 598629343 /nfs/dbraw/zinc/62/93/43/598629343.db2.gz PPMJORAXZQUQNL-LBPRGKRZSA-N -1 3 384.415 3.677 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736490770 598629345 /nfs/dbraw/zinc/62/93/45/598629345.db2.gz PPMJORAXZQUQNL-LBPRGKRZSA-N -1 3 384.415 3.677 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000736653612 598644427 /nfs/dbraw/zinc/64/44/27/598644427.db2.gz DDHVRRDJNBFZHP-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000736653612 598644429 /nfs/dbraw/zinc/64/44/29/598644429.db2.gz DDHVRRDJNBFZHP-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735992500 598644560 /nfs/dbraw/zinc/64/45/60/598644560.db2.gz HTHWSZMOABCDTR-KRWDZBQOSA-N -1 3 393.491 3.553 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735992500 598644562 /nfs/dbraw/zinc/64/45/62/598644562.db2.gz HTHWSZMOABCDTR-KRWDZBQOSA-N -1 3 393.491 3.553 20 0 GHADHM Cc1ccc2c(c1)CCCN2C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737375008 598646925 /nfs/dbraw/zinc/64/69/25/598646925.db2.gz BLEYQAOPVFBIDP-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM Cc1ccc2c(c1)CCCN2C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737375008 598646927 /nfs/dbraw/zinc/64/69/27/598646927.db2.gz BLEYQAOPVFBIDP-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000735449245 598649022 /nfs/dbraw/zinc/64/90/22/598649022.db2.gz NQXVUMGHMPAUFG-SDNWHVSQSA-N -1 3 377.423 3.600 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000735449245 598649024 /nfs/dbraw/zinc/64/90/24/598649024.db2.gz NQXVUMGHMPAUFG-SDNWHVSQSA-N -1 3 377.423 3.600 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735888286 598651186 /nfs/dbraw/zinc/65/11/86/598651186.db2.gz KBYIBHQBGHXQAS-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735888286 598651187 /nfs/dbraw/zinc/65/11/87/598651187.db2.gz KBYIBHQBGHXQAS-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM COc1c(C)ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737023065 598652346 /nfs/dbraw/zinc/65/23/46/598652346.db2.gz IHOSNODNRDTQSP-UHFFFAOYSA-N -1 3 395.463 3.680 20 0 GHADHM COc1c(C)ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737023065 598652347 /nfs/dbraw/zinc/65/23/47/598652347.db2.gz IHOSNODNRDTQSP-UHFFFAOYSA-N -1 3 395.463 3.680 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736278109 598652602 /nfs/dbraw/zinc/65/26/02/598652602.db2.gz FAYNSWVCICCJEP-HNNXBMFYSA-N -1 3 377.448 3.566 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736278109 598652604 /nfs/dbraw/zinc/65/26/04/598652604.db2.gz FAYNSWVCICCJEP-HNNXBMFYSA-N -1 3 377.448 3.566 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737142850 598652625 /nfs/dbraw/zinc/65/26/25/598652625.db2.gz QHCGEJZFPXYTDB-INIZCTEOSA-N -1 3 393.491 3.806 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737142850 598652627 /nfs/dbraw/zinc/65/26/27/598652627.db2.gz QHCGEJZFPXYTDB-INIZCTEOSA-N -1 3 393.491 3.806 20 0 GHADHM O=C(Nc1ccc2n[nH]cc2c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738176285 598652656 /nfs/dbraw/zinc/65/26/56/598652656.db2.gz XCCGHQJIHBEXOA-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000736820469 598652684 /nfs/dbraw/zinc/65/26/84/598652684.db2.gz MMZZLGDYTXIXJT-INIZCTEOSA-N -1 3 389.381 3.561 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000736820469 598652686 /nfs/dbraw/zinc/65/26/86/598652686.db2.gz MMZZLGDYTXIXJT-INIZCTEOSA-N -1 3 389.381 3.561 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCCc2ccccc21 ZINC000737832212 598654170 /nfs/dbraw/zinc/65/41/70/598654170.db2.gz GJTQLWPXMHALNY-UHFFFAOYSA-N -1 3 391.475 3.785 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCCc2ccccc21 ZINC000737832212 598654171 /nfs/dbraw/zinc/65/41/71/598654171.db2.gz GJTQLWPXMHALNY-UHFFFAOYSA-N -1 3 391.475 3.785 20 0 GHADHM CCCC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736439381 598661497 /nfs/dbraw/zinc/66/14/97/598661497.db2.gz UUSNQLUURDDXBD-FQEVSTJZSA-N -1 3 393.491 3.856 20 0 GHADHM CCCC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736439381 598661498 /nfs/dbraw/zinc/66/14/98/598661498.db2.gz UUSNQLUURDDXBD-FQEVSTJZSA-N -1 3 393.491 3.856 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccn1 ZINC000736121969 598662512 /nfs/dbraw/zinc/66/25/12/598662512.db2.gz GVFFXXOCZLBDEU-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000736121969 598662514 /nfs/dbraw/zinc/66/25/14/598662514.db2.gz GVFFXXOCZLBDEU-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(SCc2ccccc2)cc1 ZINC000738150365 598663303 /nfs/dbraw/zinc/66/33/03/598663303.db2.gz JJUZPXZALDZFIQ-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(SCc2ccccc2)cc1 ZINC000738150365 598663304 /nfs/dbraw/zinc/66/33/04/598663304.db2.gz JJUZPXZALDZFIQ-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000736140659 598664802 /nfs/dbraw/zinc/66/48/02/598664802.db2.gz YWCAMGNKMSVAEY-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000736140659 598664804 /nfs/dbraw/zinc/66/48/04/598664804.db2.gz YWCAMGNKMSVAEY-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@@H]1Cc2ccccc2N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736298103 598665270 /nfs/dbraw/zinc/66/52/70/598665270.db2.gz OSNACNPPVBJGCE-MRXNPFEDSA-N -1 3 391.475 3.641 20 0 GHADHM C[C@@H]1Cc2ccccc2N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736298103 598665272 /nfs/dbraw/zinc/66/52/72/598665272.db2.gz OSNACNPPVBJGCE-MRXNPFEDSA-N -1 3 391.475 3.641 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)cc1Cl ZINC000737647007 598671323 /nfs/dbraw/zinc/67/13/23/598671323.db2.gz CADXKNZHYAPYCL-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)cc1Cl ZINC000737647007 598671324 /nfs/dbraw/zinc/67/13/24/598671324.db2.gz CADXKNZHYAPYCL-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Cc1nc2cc(NC(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000737489041 598681990 /nfs/dbraw/zinc/68/19/90/598681990.db2.gz USZBLUWVWZECRT-UHFFFAOYSA-N -1 3 392.419 3.504 20 0 GHADHM Cc1nc2cc(NC(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000737489041 598681992 /nfs/dbraw/zinc/68/19/92/598681992.db2.gz USZBLUWVWZECRT-UHFFFAOYSA-N -1 3 392.419 3.504 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737355864 598696476 /nfs/dbraw/zinc/69/64/76/598696476.db2.gz MASLJSYDBXNSMM-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737355864 598696477 /nfs/dbraw/zinc/69/64/77/598696477.db2.gz MASLJSYDBXNSMM-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737956448 598703644 /nfs/dbraw/zinc/70/36/44/598703644.db2.gz YWXHMYDEDPWRCL-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737956448 598703645 /nfs/dbraw/zinc/70/36/45/598703645.db2.gz YWXHMYDEDPWRCL-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2cccc(Cl)c2)CCC1 ZINC000738230653 598705703 /nfs/dbraw/zinc/70/57/03/598705703.db2.gz HVQOCVOEBNHHSU-UHFFFAOYSA-N -1 3 386.814 3.824 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2cccc(Cl)c2)CCC1 ZINC000738230653 598705704 /nfs/dbraw/zinc/70/57/04/598705704.db2.gz HVQOCVOEBNHHSU-UHFFFAOYSA-N -1 3 386.814 3.824 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2ccc(F)cc2)n1 ZINC000738236337 598707502 /nfs/dbraw/zinc/70/75/02/598707502.db2.gz UUHCIADFNHYVJH-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2ccc(F)cc2)n1 ZINC000738236337 598707503 /nfs/dbraw/zinc/70/75/03/598707503.db2.gz UUHCIADFNHYVJH-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736194077 598709334 /nfs/dbraw/zinc/70/93/34/598709334.db2.gz YMAALRZVGPYBOX-JTQLQIEISA-N -1 3 392.843 3.883 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736194077 598709336 /nfs/dbraw/zinc/70/93/36/598709336.db2.gz YMAALRZVGPYBOX-JTQLQIEISA-N -1 3 392.843 3.883 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cccc(C(F)(F)F)c1 ZINC000737949196 598715541 /nfs/dbraw/zinc/71/55/41/598715541.db2.gz XSFIMQUCUSIAMV-UHFFFAOYSA-N -1 3 394.378 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cccc(C(F)(F)F)c1 ZINC000737949196 598715542 /nfs/dbraw/zinc/71/55/42/598715542.db2.gz XSFIMQUCUSIAMV-UHFFFAOYSA-N -1 3 394.378 3.721 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000736478694 598732382 /nfs/dbraw/zinc/73/23/82/598732382.db2.gz AMQDDXKNVKXDLF-IBGZPJMESA-N -1 3 390.491 3.518 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000736478694 598732384 /nfs/dbraw/zinc/73/23/84/598732384.db2.gz AMQDDXKNVKXDLF-IBGZPJMESA-N -1 3 390.491 3.518 20 0 GHADHM CCc1ccccc1OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736701851 598734091 /nfs/dbraw/zinc/73/40/91/598734091.db2.gz JEXBDUHHZAYNSY-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM CCc1ccccc1OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736701851 598734093 /nfs/dbraw/zinc/73/40/93/598734093.db2.gz JEXBDUHHZAYNSY-UHFFFAOYSA-N -1 3 387.399 3.836 20 0 GHADHM O=C(OCCc1cccs1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738223982 598736464 /nfs/dbraw/zinc/73/64/64/598736464.db2.gz ZZVODEGFSRMLSX-UHFFFAOYSA-N -1 3 393.428 3.515 20 0 GHADHM O=C(OCCc1cccs1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738223982 598736465 /nfs/dbraw/zinc/73/64/65/598736465.db2.gz ZZVODEGFSRMLSX-UHFFFAOYSA-N -1 3 393.428 3.515 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735619071 598746352 /nfs/dbraw/zinc/74/63/52/598746352.db2.gz SMZUSCZCANLKIX-YPKPFQOOSA-N -1 3 375.476 3.955 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735619071 598746353 /nfs/dbraw/zinc/74/63/53/598746353.db2.gz SMZUSCZCANLKIX-YPKPFQOOSA-N -1 3 375.476 3.955 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736184346 598747027 /nfs/dbraw/zinc/74/70/27/598747027.db2.gz ZEWOTZPMUOFTIK-MRXNPFEDSA-N -1 3 393.491 3.709 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736184346 598747028 /nfs/dbraw/zinc/74/70/28/598747028.db2.gz ZEWOTZPMUOFTIK-MRXNPFEDSA-N -1 3 393.491 3.709 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736350570 598764435 /nfs/dbraw/zinc/76/44/35/598764435.db2.gz BOUVAKZVNBUXTD-ZDUSSCGKSA-N -1 3 387.390 3.676 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736350570 598764436 /nfs/dbraw/zinc/76/44/36/598764436.db2.gz BOUVAKZVNBUXTD-ZDUSSCGKSA-N -1 3 387.390 3.676 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735588980 598777599 /nfs/dbraw/zinc/77/75/99/598777599.db2.gz HRMSYHVZHVVGAC-KRWDZBQOSA-N -1 3 398.442 3.621 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735588980 598777601 /nfs/dbraw/zinc/77/76/01/598777601.db2.gz HRMSYHVZHVVGAC-KRWDZBQOSA-N -1 3 398.442 3.621 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737425103 598778614 /nfs/dbraw/zinc/77/86/14/598778614.db2.gz YYDLOOUWENQDBD-LJQANCHMSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737425103 598778616 /nfs/dbraw/zinc/77/86/16/598778616.db2.gz YYDLOOUWENQDBD-LJQANCHMSA-N -1 3 378.480 3.762 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCS1 ZINC000736278091 598782047 /nfs/dbraw/zinc/78/20/47/598782047.db2.gz DWTVVXFBANMAOO-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCS1 ZINC000736278091 598782050 /nfs/dbraw/zinc/78/20/50/598782050.db2.gz DWTVVXFBANMAOO-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CC[C@@H](C)C4)cc2n1 ZINC000737381145 598789080 /nfs/dbraw/zinc/78/90/80/598789080.db2.gz VGTGQWMZVYSRSK-SECBINFHSA-N -1 3 394.460 3.755 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CC[C@@H](C)C4)cc2n1 ZINC000737381145 598789082 /nfs/dbraw/zinc/78/90/82/598789082.db2.gz VGTGQWMZVYSRSK-SECBINFHSA-N -1 3 394.460 3.755 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000737059220 598799992 /nfs/dbraw/zinc/79/99/92/598799992.db2.gz SHRXMLGJQBIMAG-GOSISDBHSA-N -1 3 380.452 3.736 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000737059220 598799994 /nfs/dbraw/zinc/79/99/94/598799994.db2.gz SHRXMLGJQBIMAG-GOSISDBHSA-N -1 3 380.452 3.736 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)s1 ZINC000736678723 598804337 /nfs/dbraw/zinc/80/43/37/598804337.db2.gz GFVDBTKUAQAJGY-QMMMGPOBSA-N -1 3 395.847 3.689 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)s1 ZINC000736678723 598804339 /nfs/dbraw/zinc/80/43/39/598804339.db2.gz GFVDBTKUAQAJGY-QMMMGPOBSA-N -1 3 395.847 3.689 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000524058593 598806663 /nfs/dbraw/zinc/80/66/63/598806663.db2.gz QHUGVDHQMCBLIB-OAQYLSRUSA-N -1 3 396.454 3.609 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000524058593 598806664 /nfs/dbraw/zinc/80/66/64/598806664.db2.gz QHUGVDHQMCBLIB-OAQYLSRUSA-N -1 3 396.454 3.609 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000605497743 598806699 /nfs/dbraw/zinc/80/66/99/598806699.db2.gz NCPDFVAUVHCJDM-NRFANRHFSA-N -1 3 396.454 3.609 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000605497743 598806701 /nfs/dbraw/zinc/80/67/01/598806701.db2.gz NCPDFVAUVHCJDM-NRFANRHFSA-N -1 3 396.454 3.609 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737453165 598819328 /nfs/dbraw/zinc/81/93/28/598819328.db2.gz NDFVXRBXASFYSR-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737453165 598819330 /nfs/dbraw/zinc/81/93/30/598819330.db2.gz NDFVXRBXASFYSR-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736229536 598821506 /nfs/dbraw/zinc/82/15/06/598821506.db2.gz MPTULBHYFVVVIE-FQEVSTJZSA-N -1 3 378.505 3.617 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736229536 598821507 /nfs/dbraw/zinc/82/15/07/598821507.db2.gz MPTULBHYFVVVIE-FQEVSTJZSA-N -1 3 378.505 3.617 20 0 GHADHM Cc1nc(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000737473638 598821697 /nfs/dbraw/zinc/82/16/97/598821697.db2.gz FMMWWAHAGGYNHQ-UHFFFAOYSA-N -1 3 392.444 3.605 20 0 GHADHM Cc1nc(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000737473638 598821699 /nfs/dbraw/zinc/82/16/99/598821699.db2.gz FMMWWAHAGGYNHQ-UHFFFAOYSA-N -1 3 392.444 3.605 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737334349 598822067 /nfs/dbraw/zinc/82/20/67/598822067.db2.gz GAPVPOXPPPTMFH-INIZCTEOSA-N -1 3 378.505 3.579 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737334349 598822068 /nfs/dbraw/zinc/82/20/68/598822068.db2.gz GAPVPOXPPPTMFH-INIZCTEOSA-N -1 3 378.505 3.579 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735734240 598822494 /nfs/dbraw/zinc/82/24/94/598822494.db2.gz FOQUOKMSVAIHGR-LJQANCHMSA-N -1 3 399.882 3.755 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735734240 598822495 /nfs/dbraw/zinc/82/24/95/598822495.db2.gz FOQUOKMSVAIHGR-LJQANCHMSA-N -1 3 399.882 3.755 20 0 GHADHM Cc1cc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)ccc1C(F)(F)F ZINC000822208290 599298491 /nfs/dbraw/zinc/29/84/91/599298491.db2.gz KVBIMNAOYQXRKJ-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)ccc1C(F)(F)F ZINC000822208290 599298494 /nfs/dbraw/zinc/29/84/94/599298494.db2.gz KVBIMNAOYQXRKJ-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM C[C@H]1SCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736301203 599303216 /nfs/dbraw/zinc/30/32/16/599303216.db2.gz MNLNJOIGQWOJQY-QRWLVFNGSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@H]1SCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736301203 599303219 /nfs/dbraw/zinc/30/32/19/599303219.db2.gz MNLNJOIGQWOJQY-QRWLVFNGSA-N -1 3 393.516 3.505 20 0 GHADHM CCN(C(=O)Cc1coc2c1ccc(C)c2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506177 599312061 /nfs/dbraw/zinc/31/20/61/599312061.db2.gz XDXUQGFKLCDXJC-UHFFFAOYSA-N -1 3 375.432 3.825 20 0 GHADHM CCN(C(=O)Cc1coc2c1ccc(C)c2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506177 599312064 /nfs/dbraw/zinc/31/20/64/599312064.db2.gz XDXUQGFKLCDXJC-UHFFFAOYSA-N -1 3 375.432 3.825 20 0 GHADHM Cc1ccc(F)c(NC(=S)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822239986 607368256 /nfs/dbraw/zinc/36/82/56/607368256.db2.gz NFOOPCYRTGQWEC-UHFFFAOYSA-N -1 3 386.456 3.910 20 0 GHADHM Cc1ccc(F)c(NC(=S)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000822239986 607368258 /nfs/dbraw/zinc/36/82/58/607368258.db2.gz NFOOPCYRTGQWEC-UHFFFAOYSA-N -1 3 386.456 3.910 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690330 599315662 /nfs/dbraw/zinc/31/56/62/599315662.db2.gz JRGVYBYASZDNKE-ZBFHGGJFSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690330 599315665 /nfs/dbraw/zinc/31/56/65/599315665.db2.gz JRGVYBYASZDNKE-ZBFHGGJFSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H](NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736104436 599328040 /nfs/dbraw/zinc/32/80/40/599328040.db2.gz HKHXWNWWBOZQMQ-STQMWFEESA-N -1 3 385.468 3.677 20 0 GHADHM C[C@H](NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736104436 599328042 /nfs/dbraw/zinc/32/80/42/599328042.db2.gz HKHXWNWWBOZQMQ-STQMWFEESA-N -1 3 385.468 3.677 20 0 GHADHM C[C@@H](SCCCn1c2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187909 599329509 /nfs/dbraw/zinc/32/95/09/599329509.db2.gz DAKVRVMCFGTLSC-CYBMUJFWSA-N -1 3 380.477 3.807 20 0 GHADHM C[C@@H](SCCCn1c2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187909 599329510 /nfs/dbraw/zinc/32/95/10/599329510.db2.gz DAKVRVMCFGTLSC-CYBMUJFWSA-N -1 3 380.477 3.807 20 0 GHADHM C[C@@H](SCC(=O)N1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187993 599330679 /nfs/dbraw/zinc/33/06/79/599330679.db2.gz GFQOYEPRBZUWTP-CQSZACIVSA-N -1 3 379.489 3.640 20 0 GHADHM C[C@@H](SCC(=O)N1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187993 599330682 /nfs/dbraw/zinc/33/06/82/599330682.db2.gz GFQOYEPRBZUWTP-CQSZACIVSA-N -1 3 379.489 3.640 20 0 GHADHM O=C(c1ccc(CNc2cccc(Cl)c2-c2nnn[n-]2)cc1)N1CCCCC1 ZINC000823488654 599330826 /nfs/dbraw/zinc/33/08/26/599330826.db2.gz RKOBGHWOOFMRPV-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(CNc2cccc(Cl)c2-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000823488654 599330828 /nfs/dbraw/zinc/33/08/28/599330828.db2.gz RKOBGHWOOFMRPV-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000736169835 599341305 /nfs/dbraw/zinc/34/13/05/599341305.db2.gz PTTQMEJSCSJBQS-LLVKDONJSA-N -1 3 399.476 3.563 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554979 599344597 /nfs/dbraw/zinc/34/45/97/599344597.db2.gz CNOVXDFZMYVSQQ-AWEZNQCLSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554979 599344599 /nfs/dbraw/zinc/34/45/99/599344599.db2.gz CNOVXDFZMYVSQQ-AWEZNQCLSA-N -1 3 394.504 3.586 20 0 GHADHM Cc1nc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)sc1C ZINC000822209637 599357699 /nfs/dbraw/zinc/35/76/99/599357699.db2.gz QKMGLQGPYOIBGV-UHFFFAOYSA-N -1 3 390.476 3.661 20 0 GHADHM Cc1nc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)sc1C ZINC000822209637 599357702 /nfs/dbraw/zinc/35/77/02/599357702.db2.gz QKMGLQGPYOIBGV-UHFFFAOYSA-N -1 3 390.476 3.661 20 0 GHADHM Brc1ccc(NC[C@@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735369448 599360853 /nfs/dbraw/zinc/36/08/53/599360853.db2.gz UPVSMSDPUXZWIR-ZDUSSCGKSA-N -1 3 399.296 3.568 20 0 GHADHM Brc1ccc(NC[C@@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735369448 599360854 /nfs/dbraw/zinc/36/08/54/599360854.db2.gz UPVSMSDPUXZWIR-ZDUSSCGKSA-N -1 3 399.296 3.568 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(c2ccccc2F)CC1 ZINC000735829592 599371974 /nfs/dbraw/zinc/37/19/74/599371974.db2.gz LEFPGTRQOJEAOJ-UHFFFAOYSA-N -1 3 393.466 3.722 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(c2ccccc2F)CC1 ZINC000735829592 599371977 /nfs/dbraw/zinc/37/19/77/599371977.db2.gz LEFPGTRQOJEAOJ-UHFFFAOYSA-N -1 3 393.466 3.722 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000821518275 599374010 /nfs/dbraw/zinc/37/40/10/599374010.db2.gz SLJPAOBARQOESO-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000821518275 599374014 /nfs/dbraw/zinc/37/40/14/599374014.db2.gz SLJPAOBARQOESO-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456579 599378264 /nfs/dbraw/zinc/37/82/64/599378264.db2.gz VILSATWQDQBIJB-OAHLLOKOSA-N -1 3 379.464 3.845 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456579 599378266 /nfs/dbraw/zinc/37/82/66/599378266.db2.gz VILSATWQDQBIJB-OAHLLOKOSA-N -1 3 379.464 3.845 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735986567 599379405 /nfs/dbraw/zinc/37/94/05/599379405.db2.gz SGWXRWRAAXCRRB-CQSZACIVSA-N -1 3 394.479 3.999 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735986567 599379408 /nfs/dbraw/zinc/37/94/08/599379408.db2.gz SGWXRWRAAXCRRB-CQSZACIVSA-N -1 3 394.479 3.999 20 0 GHADHM CSCC[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737177110 599382305 /nfs/dbraw/zinc/38/23/05/599382305.db2.gz RHXWMYMXIOFBOC-CQSZACIVSA-N -1 3 397.504 3.873 20 0 GHADHM CSCC[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737177110 599382307 /nfs/dbraw/zinc/38/23/07/599382307.db2.gz RHXWMYMXIOFBOC-CQSZACIVSA-N -1 3 397.504 3.873 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737216832 599383116 /nfs/dbraw/zinc/38/31/16/599383116.db2.gz ZHYPNKCYBGVTGM-UHFFFAOYSA-N -1 3 399.907 3.900 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737216832 599383119 /nfs/dbraw/zinc/38/31/19/599383119.db2.gz ZHYPNKCYBGVTGM-UHFFFAOYSA-N -1 3 399.907 3.900 20 0 GHADHM Cc1nnc([C@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000822510315 599387569 /nfs/dbraw/zinc/38/75/69/599387569.db2.gz LPZNRJOISRALTH-JTQLQIEISA-N -1 3 381.371 3.663 20 0 GHADHM Cc1nnc([C@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000822510315 599387571 /nfs/dbraw/zinc/38/75/71/599387571.db2.gz LPZNRJOISRALTH-JTQLQIEISA-N -1 3 381.371 3.663 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821572269 599388938 /nfs/dbraw/zinc/38/89/38/599388938.db2.gz XZUOHSAAUFZSEU-UHFFFAOYSA-N -1 3 399.426 3.956 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821572269 599388942 /nfs/dbraw/zinc/38/89/42/599388942.db2.gz XZUOHSAAUFZSEU-UHFFFAOYSA-N -1 3 399.426 3.956 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213835 599389245 /nfs/dbraw/zinc/38/92/45/599389245.db2.gz CKZAPBJKIRTNJC-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1CCC(F)(F)F ZINC000821736214 607373421 /nfs/dbraw/zinc/37/34/21/607373421.db2.gz GRHJBQUCQICNLK-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1CCC(F)(F)F ZINC000821736214 607373423 /nfs/dbraw/zinc/37/34/23/607373423.db2.gz GRHJBQUCQICNLK-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357968 599400733 /nfs/dbraw/zinc/40/07/33/599400733.db2.gz LANAZZTUZMGICS-BZNIZROVSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357968 599400734 /nfs/dbraw/zinc/40/07/34/599400734.db2.gz LANAZZTUZMGICS-BZNIZROVSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820433508 599403777 /nfs/dbraw/zinc/40/37/77/599403777.db2.gz YHZRCRVVWBVTIH-CQSZACIVSA-N -1 3 388.431 3.563 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820433508 599403779 /nfs/dbraw/zinc/40/37/79/599403779.db2.gz YHZRCRVVWBVTIH-CQSZACIVSA-N -1 3 388.431 3.563 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736529871 599405966 /nfs/dbraw/zinc/40/59/66/599405966.db2.gz VHZCQDKTWHCMBV-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736529871 599405968 /nfs/dbraw/zinc/40/59/68/599405968.db2.gz VHZCQDKTWHCMBV-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCOc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)cc1 ZINC000821417039 599408290 /nfs/dbraw/zinc/40/82/90/599408290.db2.gz HEWGNESLXSHWDC-HXUWFJFHSA-N -1 3 375.432 3.738 20 0 GHADHM CCOc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)cc1 ZINC000821417039 599408293 /nfs/dbraw/zinc/40/82/93/599408293.db2.gz HEWGNESLXSHWDC-HXUWFJFHSA-N -1 3 375.432 3.738 20 0 GHADHM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737076891 599411439 /nfs/dbraw/zinc/41/14/39/599411439.db2.gz SOUVVVSQCKUSHG-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737076891 599411443 /nfs/dbraw/zinc/41/14/43/599411443.db2.gz SOUVVVSQCKUSHG-GFCCVEGCSA-N -1 3 376.420 3.605 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664437 599417378 /nfs/dbraw/zinc/41/73/78/599417378.db2.gz AAWPFZTZJQSANT-PJSAGSTRSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664437 599417380 /nfs/dbraw/zinc/41/73/80/599417380.db2.gz AAWPFZTZJQSANT-PJSAGSTRSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348964 599440979 /nfs/dbraw/zinc/44/09/79/599440979.db2.gz GXHOLYNDIOPXNS-NEPJUHHUSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348964 599440980 /nfs/dbraw/zinc/44/09/80/599440980.db2.gz GXHOLYNDIOPXNS-NEPJUHHUSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111472 599452873 /nfs/dbraw/zinc/45/28/73/599452873.db2.gz FVCZZYSLGDBUDW-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111472 599452877 /nfs/dbraw/zinc/45/28/77/599452877.db2.gz FVCZZYSLGDBUDW-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000736481699 599465200 /nfs/dbraw/zinc/46/52/00/599465200.db2.gz ZPTJTQAGCAEZME-UHFFFAOYSA-N -1 3 389.912 3.953 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000736481699 599465201 /nfs/dbraw/zinc/46/52/01/599465201.db2.gz ZPTJTQAGCAEZME-UHFFFAOYSA-N -1 3 389.912 3.953 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000735953831 599472228 /nfs/dbraw/zinc/47/22/28/599472228.db2.gz NFOATMKTXOOYRO-INIZCTEOSA-N -1 3 388.479 3.576 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000735953831 599472229 /nfs/dbraw/zinc/47/22/29/599472229.db2.gz NFOATMKTXOOYRO-INIZCTEOSA-N -1 3 388.479 3.576 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340877 599473373 /nfs/dbraw/zinc/47/33/73/599473373.db2.gz NHRMTKLPLORTGA-NEPJUHHUSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340877 599473375 /nfs/dbraw/zinc/47/33/75/599473375.db2.gz NHRMTKLPLORTGA-NEPJUHHUSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351194 599474394 /nfs/dbraw/zinc/47/43/94/599474394.db2.gz MYNPTCXRLYXHDO-AOMKIAJQSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351194 599474397 /nfs/dbraw/zinc/47/43/97/599474397.db2.gz MYNPTCXRLYXHDO-AOMKIAJQSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356934 599479088 /nfs/dbraw/zinc/47/90/88/599479088.db2.gz CQXYBKCUVCGBNN-CQSZACIVSA-N -1 3 394.504 3.552 20 0 GHADHM C[C@@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356934 599479090 /nfs/dbraw/zinc/47/90/90/599479090.db2.gz CQXYBKCUVCGBNN-CQSZACIVSA-N -1 3 394.504 3.552 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820349834 599483183 /nfs/dbraw/zinc/48/31/83/599483183.db2.gz IYQXOORMGMCPNG-LIRRHRJNSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820349834 599483184 /nfs/dbraw/zinc/48/31/84/599483184.db2.gz IYQXOORMGMCPNG-LIRRHRJNSA-N -1 3 396.470 3.633 20 0 GHADHM Fc1ccc(NCC2(c3ccc(Cl)cc3)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000822779573 599494763 /nfs/dbraw/zinc/49/47/63/599494763.db2.gz XHRHAQUTGVUHPA-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(NCC2(c3ccc(Cl)cc3)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000822779573 599494765 /nfs/dbraw/zinc/49/47/65/599494765.db2.gz XHRHAQUTGVUHPA-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549258 599502447 /nfs/dbraw/zinc/50/24/47/599502447.db2.gz LLLCUQKDYPLKHB-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549258 599502451 /nfs/dbraw/zinc/50/24/51/599502451.db2.gz LLLCUQKDYPLKHB-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182031 599502940 /nfs/dbraw/zinc/50/29/40/599502940.db2.gz OQSCKOLKEADXAF-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182031 599502943 /nfs/dbraw/zinc/50/29/43/599502943.db2.gz OQSCKOLKEADXAF-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821139228 599505256 /nfs/dbraw/zinc/50/52/56/599505256.db2.gz QZEXYZGEUKQXJY-HNNXBMFYSA-N -1 3 391.475 3.660 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821139228 599505258 /nfs/dbraw/zinc/50/52/58/599505258.db2.gz QZEXYZGEUKQXJY-HNNXBMFYSA-N -1 3 391.475 3.660 20 0 GHADHM COc1cc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)ccc1SC ZINC000821717482 599506592 /nfs/dbraw/zinc/50/65/92/599506592.db2.gz OPEFOESBXSCSBP-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM COc1cc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)ccc1SC ZINC000821717482 599506594 /nfs/dbraw/zinc/50/65/94/599506594.db2.gz OPEFOESBXSCSBP-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000736289363 599522303 /nfs/dbraw/zinc/52/23/03/599522303.db2.gz LCXONAYIQKOISW-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM CCOc1cc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)ccc1OC ZINC000736625667 599525700 /nfs/dbraw/zinc/52/57/00/599525700.db2.gz NORYNTYSPLQXMO-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM Cc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OCC(F)(F)F ZINC000737278957 599528471 /nfs/dbraw/zinc/52/84/71/599528471.db2.gz MEWCHRGZAGXKHQ-UHFFFAOYSA-N -1 3 384.749 3.908 20 0 GHADHM Cc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OCC(F)(F)F ZINC000737278957 599528472 /nfs/dbraw/zinc/52/84/72/599528472.db2.gz MEWCHRGZAGXKHQ-UHFFFAOYSA-N -1 3 384.749 3.908 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821850164 599532375 /nfs/dbraw/zinc/53/23/75/599532375.db2.gz XQSRNLYVRLKKIZ-PBHICJAKSA-N -1 3 391.475 3.563 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821850164 599532377 /nfs/dbraw/zinc/53/23/77/599532377.db2.gz XQSRNLYVRLKKIZ-PBHICJAKSA-N -1 3 391.475 3.563 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736056999 599539540 /nfs/dbraw/zinc/53/95/40/599539540.db2.gz FMBAZCUEDHSFCA-NSHDSACASA-N -1 3 376.338 3.670 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736056999 599539541 /nfs/dbraw/zinc/53/95/41/599539541.db2.gz FMBAZCUEDHSFCA-NSHDSACASA-N -1 3 376.338 3.670 20 0 GHADHM CCCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000821127854 599546551 /nfs/dbraw/zinc/54/65/51/599546551.db2.gz MNWUPOBVXDQYLA-MRXNPFEDSA-N -1 3 380.496 3.817 20 0 GHADHM CCCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000821127854 599546554 /nfs/dbraw/zinc/54/65/54/599546554.db2.gz MNWUPOBVXDQYLA-MRXNPFEDSA-N -1 3 380.496 3.817 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736331951 599548037 /nfs/dbraw/zinc/54/80/37/599548037.db2.gz RAXBHCJMGVVSAE-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736331951 599548039 /nfs/dbraw/zinc/54/80/39/599548039.db2.gz RAXBHCJMGVVSAE-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820571229 599563256 /nfs/dbraw/zinc/56/32/56/599563256.db2.gz WFIGLXFJDSFWOW-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820571229 599563258 /nfs/dbraw/zinc/56/32/58/599563258.db2.gz WFIGLXFJDSFWOW-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820570439 599563496 /nfs/dbraw/zinc/56/34/96/599563496.db2.gz JVZFOTNQWSNZRF-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820570439 599563498 /nfs/dbraw/zinc/56/34/98/599563498.db2.gz JVZFOTNQWSNZRF-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736067353 599563922 /nfs/dbraw/zinc/56/39/22/599563922.db2.gz WOUPNKCPWAZFNG-CQSZACIVSA-N -1 3 388.431 3.564 20 0 GHADHM CCC1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736409708 599564878 /nfs/dbraw/zinc/56/48/78/599564878.db2.gz MUMJLLSINLSZOU-UHFFFAOYSA-N -1 3 376.464 3.873 20 0 GHADHM CC[C@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736389717 599598898 /nfs/dbraw/zinc/59/88/98/599598898.db2.gz DAOYQTMMDNDPFS-KRWDZBQOSA-N -1 3 385.468 3.507 20 0 GHADHM CC[C@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736389717 599598900 /nfs/dbraw/zinc/59/89/00/599598900.db2.gz DAOYQTMMDNDPFS-KRWDZBQOSA-N -1 3 385.468 3.507 20 0 GHADHM O=C(CC/C=C/c1ccccc1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737825663 599606424 /nfs/dbraw/zinc/60/64/24/599606424.db2.gz NNNUTLUPHXSAKX-RUDMXATFSA-N -1 3 378.432 3.672 20 0 GHADHM CC[C@@H](COC)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736352439 599609787 /nfs/dbraw/zinc/60/97/87/599609787.db2.gz LKVWQEXJBSHTOR-HNNXBMFYSA-N -1 3 396.451 3.514 20 0 GHADHM CC[C@@H](COC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736352439 599609789 /nfs/dbraw/zinc/60/97/89/599609789.db2.gz LKVWQEXJBSHTOR-HNNXBMFYSA-N -1 3 396.451 3.514 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000820206706 599621223 /nfs/dbraw/zinc/62/12/23/599621223.db2.gz WYNLXBBMBOGTMF-LLVKDONJSA-N -1 3 396.476 3.856 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000820206706 599621224 /nfs/dbraw/zinc/62/12/24/599621224.db2.gz WYNLXBBMBOGTMF-LLVKDONJSA-N -1 3 396.476 3.856 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820488436 599621253 /nfs/dbraw/zinc/62/12/53/599621253.db2.gz OCDOSGDQQCWIFF-LAUAKBEESA-N -1 3 383.477 3.938 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820488436 599621254 /nfs/dbraw/zinc/62/12/54/599621254.db2.gz OCDOSGDQQCWIFF-LAUAKBEESA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820225508 599621385 /nfs/dbraw/zinc/62/13/85/599621385.db2.gz KBWUYVQXOVNFFE-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820225508 599621386 /nfs/dbraw/zinc/62/13/86/599621386.db2.gz KBWUYVQXOVNFFE-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000819883307 599622751 /nfs/dbraw/zinc/62/27/51/599622751.db2.gz GZLLPTNBPFSTMU-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000819883307 599622752 /nfs/dbraw/zinc/62/27/52/599622752.db2.gz GZLLPTNBPFSTMU-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(F)c1Cl ZINC000821389328 599629731 /nfs/dbraw/zinc/62/97/31/599629731.db2.gz JIEOGSSRVNRPKS-UHFFFAOYSA-N -1 3 397.193 3.931 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(F)c1Cl ZINC000821389328 599629732 /nfs/dbraw/zinc/62/97/32/599629732.db2.gz JIEOGSSRVNRPKS-UHFFFAOYSA-N -1 3 397.193 3.931 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(-n2cccc2)c1 ZINC000823303469 599633354 /nfs/dbraw/zinc/63/33/54/599633354.db2.gz JISGEOUYUPUWPH-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(-n2cccc2)c1 ZINC000823303469 599633355 /nfs/dbraw/zinc/63/33/55/599633355.db2.gz JISGEOUYUPUWPH-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM Cc1ccc(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C(C)C)cc1 ZINC000822241108 599636884 /nfs/dbraw/zinc/63/68/84/599636884.db2.gz LGAFONSNXQCWJE-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1ccc(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C(C)C)cc1 ZINC000822241108 599636885 /nfs/dbraw/zinc/63/68/85/599636885.db2.gz LGAFONSNXQCWJE-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822233784 599670830 /nfs/dbraw/zinc/67/08/30/599670830.db2.gz VBFBMHGWQWUMPM-PBHICJAKSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233784 599670831 /nfs/dbraw/zinc/67/08/31/599670831.db2.gz VBFBMHGWQWUMPM-PBHICJAKSA-N -1 3 380.452 3.766 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820352288 599673701 /nfs/dbraw/zinc/67/37/01/599673701.db2.gz SXBVCIVHHSNGLS-LSDHHAIUSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820352288 599673702 /nfs/dbraw/zinc/67/37/02/599673702.db2.gz SXBVCIVHHSNGLS-LSDHHAIUSA-N -1 3 378.480 3.593 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823146639 599676855 /nfs/dbraw/zinc/67/68/55/599676855.db2.gz XLPCHOMBGNNJCD-RTBURBONSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823146639 599676856 /nfs/dbraw/zinc/67/68/56/599676856.db2.gz XLPCHOMBGNNJCD-RTBURBONSA-N -1 3 380.496 3.510 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821612269 599677882 /nfs/dbraw/zinc/67/78/82/599677882.db2.gz PCFIDHVXNMCKHS-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821612269 599677883 /nfs/dbraw/zinc/67/78/83/599677883.db2.gz PCFIDHVXNMCKHS-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM O=C(NCCC1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000823183463 599679698 /nfs/dbraw/zinc/67/96/98/599679698.db2.gz XWSRSNMIQKBXAX-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM O=C(NCCC1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823183463 599679699 /nfs/dbraw/zinc/67/96/99/599679699.db2.gz XWSRSNMIQKBXAX-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820359324 599682383 /nfs/dbraw/zinc/68/23/83/599682383.db2.gz SDLUEADVHWABEP-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820359324 599682384 /nfs/dbraw/zinc/68/23/84/599682384.db2.gz SDLUEADVHWABEP-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1C ZINC000822235924 599682497 /nfs/dbraw/zinc/68/24/97/599682497.db2.gz BYWIGZHIFIPTBB-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1C ZINC000822235924 599682498 /nfs/dbraw/zinc/68/24/98/599682498.db2.gz BYWIGZHIFIPTBB-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2NC1=O ZINC000821002354 599689195 /nfs/dbraw/zinc/68/91/95/599689195.db2.gz WCTMEMNAZXLWAC-QFYYESIMSA-N -1 3 398.854 3.803 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2NC1=O ZINC000821002354 599689196 /nfs/dbraw/zinc/68/91/96/599689196.db2.gz WCTMEMNAZXLWAC-QFYYESIMSA-N -1 3 398.854 3.803 20 0 GHADHM O=C(c1ccncc1Cl)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823498599 599690356 /nfs/dbraw/zinc/69/03/56/599690356.db2.gz VXAHHICULDJFTA-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccncc1Cl)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823498599 599690357 /nfs/dbraw/zinc/69/03/57/599690357.db2.gz VXAHHICULDJFTA-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM Cc1c(C(=O)[O-])sc2[n-]c(C[NH2+][C@@H]3CCCC[C@@H]3C(C)(C)C)nc(=O)c12 ZINC000738291861 599713022 /nfs/dbraw/zinc/71/30/22/599713022.db2.gz RPJMNXPMCDEEIC-NWDGAFQWSA-N -1 3 377.510 3.686 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000736274722 599714028 /nfs/dbraw/zinc/71/40/28/599714028.db2.gz WWHLZCYZUMJVCE-CVEARBPZSA-N -1 3 378.469 3.732 20 0 GHADHM Cc1nn(C)c2ncc(CN(C)[C@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)cc12 ZINC000738918564 599772135 /nfs/dbraw/zinc/77/21/35/599772135.db2.gz OKNPECWUMBRZOG-INIZCTEOSA-N -1 3 393.274 3.841 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(Br)cc1 ZINC000426826523 599791032 /nfs/dbraw/zinc/79/10/32/599791032.db2.gz PHVWSOMHLJHDBC-AWEZNQCLSA-N -1 3 386.192 3.966 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739761438 599825555 /nfs/dbraw/zinc/82/55/55/599825555.db2.gz VOIXMYLATWEHLX-OAQYLSRUSA-N -1 3 395.503 3.880 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820160383 607398687 /nfs/dbraw/zinc/39/86/87/607398687.db2.gz IQFVBMCSIJPCSB-UHFFFAOYSA-N -1 3 383.427 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820160383 607398689 /nfs/dbraw/zinc/39/86/89/607398689.db2.gz IQFVBMCSIJPCSB-UHFFFAOYSA-N -1 3 383.427 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCCOCc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160989 607400273 /nfs/dbraw/zinc/40/02/73/607400273.db2.gz RQAKUOFHVRSSSD-UHFFFAOYSA-N -1 3 395.463 3.589 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCCOCc2ccccc2)cc1-c1nn[n-]n1 ZINC000820160989 607400274 /nfs/dbraw/zinc/40/02/74/607400274.db2.gz RQAKUOFHVRSSSD-UHFFFAOYSA-N -1 3 395.463 3.589 20 0 GHADHM O=C([C@H]1CCCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822916758 607404521 /nfs/dbraw/zinc/40/45/21/607404521.db2.gz CDPXUAKNKVMTKJ-GOSISDBHSA-N -1 3 397.866 3.622 20 0 GHADHM O=C([C@H]1CCCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822916758 607404523 /nfs/dbraw/zinc/40/45/23/607404523.db2.gz CDPXUAKNKVMTKJ-GOSISDBHSA-N -1 3 397.866 3.622 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000820174685 607406703 /nfs/dbraw/zinc/40/67/03/607406703.db2.gz VZGFZWUMRVDMOW-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000820174685 607406705 /nfs/dbraw/zinc/40/67/05/607406705.db2.gz VZGFZWUMRVDMOW-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM O=C([O-])CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000739659232 599952164 /nfs/dbraw/zinc/95/21/64/599952164.db2.gz LGXANVITZXTNIW-FPOVZHCZSA-N -1 3 398.478 3.760 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347767 607415527 /nfs/dbraw/zinc/41/55/27/607415527.db2.gz NCIOUWMDMHCQFS-VQTJNVASSA-N -1 3 387.487 3.899 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347767 607415528 /nfs/dbraw/zinc/41/55/28/607415528.db2.gz NCIOUWMDMHCQFS-VQTJNVASSA-N -1 3 387.487 3.899 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826427797 607418533 /nfs/dbraw/zinc/41/85/33/607418533.db2.gz BBWSXPYMBUAGCI-RTWAWAEBSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826427797 607418535 /nfs/dbraw/zinc/41/85/35/607418535.db2.gz BBWSXPYMBUAGCI-RTWAWAEBSA-N -1 3 395.466 3.929 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000652410028 600104541 /nfs/dbraw/zinc/10/45/41/600104541.db2.gz SFDQBANBRBYHKR-UHFFFAOYSA-N -1 3 393.443 3.693 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2ccc(F)cc2s1 ZINC000826427832 607421274 /nfs/dbraw/zinc/42/12/74/607421274.db2.gz CFVGFGQHGOKGDI-UHFFFAOYSA-N -1 3 379.420 3.640 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2ccc(F)cc2s1 ZINC000826427832 607421277 /nfs/dbraw/zinc/42/12/77/607421277.db2.gz CFVGFGQHGOKGDI-UHFFFAOYSA-N -1 3 379.420 3.640 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000820164708 607427310 /nfs/dbraw/zinc/42/73/10/607427310.db2.gz KQAVXFGIQIOHHX-UHFFFAOYSA-N -1 3 392.463 3.850 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000820164708 607427311 /nfs/dbraw/zinc/42/73/11/607427311.db2.gz KQAVXFGIQIOHHX-UHFFFAOYSA-N -1 3 392.463 3.850 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826316184 607428590 /nfs/dbraw/zinc/42/85/90/607428590.db2.gz GTTSUNGSEBLAFT-NWDGAFQWSA-N -1 3 385.518 3.919 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826316184 607428592 /nfs/dbraw/zinc/42/85/92/607428592.db2.gz GTTSUNGSEBLAFT-NWDGAFQWSA-N -1 3 385.518 3.919 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820164087 607429038 /nfs/dbraw/zinc/42/90/38/607429038.db2.gz CKBJKHOSRHWTLS-CQSZACIVSA-N -1 3 380.452 3.879 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820164087 607429040 /nfs/dbraw/zinc/42/90/40/607429040.db2.gz CKBJKHOSRHWTLS-CQSZACIVSA-N -1 3 380.452 3.879 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC000738562428 600288132 /nfs/dbraw/zinc/28/81/32/600288132.db2.gz VJHBYHRFWBMNLC-KRWDZBQOSA-N -1 3 375.856 3.771 20 0 GHADHM Cc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)sc1C(=O)[O-] ZINC000738448688 600370309 /nfs/dbraw/zinc/37/03/09/600370309.db2.gz MBIRHEGVOZHDHJ-UHFFFAOYSA-N -1 3 387.505 3.537 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000739403268 600397711 /nfs/dbraw/zinc/39/77/11/600397711.db2.gz GZEWYRFDKZAFBK-HNNXBMFYSA-N -1 3 377.441 3.544 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000739383156 600398698 /nfs/dbraw/zinc/39/86/98/600398698.db2.gz VMPCFFSOCRZMIX-GOSISDBHSA-N -1 3 393.915 3.562 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1)N1CCCCCC1 ZINC000736199556 600408039 /nfs/dbraw/zinc/40/80/39/600408039.db2.gz JSWLRRBHHNVXDN-IRXDYDNUSA-N -1 3 399.491 3.727 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1cccc(Cl)c1 ZINC000739483747 600427526 /nfs/dbraw/zinc/42/75/26/600427526.db2.gz LMFMJBNCDLCMLR-LJQANCHMSA-N -1 3 395.846 3.903 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1sccc1SC(F)F ZINC000826428782 607447195 /nfs/dbraw/zinc/44/71/95/607447195.db2.gz LIBFLJLNGIBXAZ-UHFFFAOYSA-N -1 3 393.444 3.662 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1sccc1SC(F)F ZINC000826428782 607447196 /nfs/dbraw/zinc/44/71/96/607447196.db2.gz LIBFLJLNGIBXAZ-UHFFFAOYSA-N -1 3 393.444 3.662 20 0 GHADHM O=C([O-])c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1Cl ZINC000739464742 600508951 /nfs/dbraw/zinc/50/89/51/600508951.db2.gz KXMPVZCCFMSDMA-GOSISDBHSA-N -1 3 387.867 3.997 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826442203 607456507 /nfs/dbraw/zinc/45/65/07/607456507.db2.gz MRGLENNXEGVSSK-UHFFFAOYSA-N -1 3 384.443 3.508 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826442203 607456509 /nfs/dbraw/zinc/45/65/09/607456509.db2.gz MRGLENNXEGVSSK-UHFFFAOYSA-N -1 3 384.443 3.508 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000826249864 607462986 /nfs/dbraw/zinc/46/29/86/607462986.db2.gz YUXNRHDZFDMYEG-UHFFFAOYSA-N -1 3 385.427 3.724 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000826249864 607462987 /nfs/dbraw/zinc/46/29/87/607462987.db2.gz YUXNRHDZFDMYEG-UHFFFAOYSA-N -1 3 385.427 3.724 20 0 GHADHM O=C([O-])[C@@H](NCCN1CCc2sccc2C1)c1ccc(Cl)cc1Cl ZINC000833165248 600742655 /nfs/dbraw/zinc/74/26/55/600742655.db2.gz HCIFVMRKWVCQCB-INIZCTEOSA-N -1 3 385.316 3.829 20 0 GHADHM Cc1cc(CN[C@H](Cc2nccn2C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832883228 600809941 /nfs/dbraw/zinc/80/99/41/600809941.db2.gz VCVFMQVDBODNLS-HXUWFJFHSA-N -1 3 393.487 3.574 20 0 GHADHM COc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1SC(F)(F)F ZINC000832314265 600830736 /nfs/dbraw/zinc/83/07/36/600830736.db2.gz GOGQCZNSTYIEHQ-LBPRGKRZSA-N -1 3 375.412 3.994 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1noc(C2CCCCC2)n1 ZINC000821752657 607478888 /nfs/dbraw/zinc/47/88/88/607478888.db2.gz PMMDPOUJHXFIHH-UHFFFAOYSA-N -1 3 386.481 3.739 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1noc(C2CCCCC2)n1 ZINC000821752657 607478890 /nfs/dbraw/zinc/47/88/90/607478890.db2.gz PMMDPOUJHXFIHH-UHFFFAOYSA-N -1 3 386.481 3.739 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccc(Br)cc1 ZINC000833164978 600999122 /nfs/dbraw/zinc/99/91/22/600999122.db2.gz DZTCRIKFFKSRFD-AWEZNQCLSA-N -1 3 398.640 3.747 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000833180368 601088958 /nfs/dbraw/zinc/08/89/58/601088958.db2.gz UAAABOUKVOBGLB-RTWAWAEBSA-N -1 3 384.520 3.778 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823963213 607509282 /nfs/dbraw/zinc/50/92/82/607509282.db2.gz XYYHEDMAGJCUFQ-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823963213 607509283 /nfs/dbraw/zinc/50/92/83/607509283.db2.gz XYYHEDMAGJCUFQ-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)cc1 ZINC000832945258 601626689 /nfs/dbraw/zinc/62/66/89/601626689.db2.gz QCUBGZJZPFJZDH-QGZVFWFLSA-N -1 3 399.466 3.866 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000826054491 601653209 /nfs/dbraw/zinc/65/32/09/601653209.db2.gz NLFBNFSOCKVRRS-SJCJKPOMSA-N -1 3 380.366 3.696 20 0 GHADHM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000740729123 601925876 /nfs/dbraw/zinc/92/58/76/601925876.db2.gz LAQIRAAPHYXJLQ-SFTDATJTSA-N -1 3 399.535 3.810 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000826284274 607542016 /nfs/dbraw/zinc/54/20/16/607542016.db2.gz ONUPFUGMXSUXBR-LJQANCHMSA-N -1 3 377.427 3.673 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000826284274 607542017 /nfs/dbraw/zinc/54/20/17/607542017.db2.gz ONUPFUGMXSUXBR-LJQANCHMSA-N -1 3 377.427 3.673 20 0 GHADHM COc1ccc(CSc2nnc(-c3cc(C)cc(C)c3)o2)cc1-c1nnn[n-]1 ZINC000826208129 607542456 /nfs/dbraw/zinc/54/24/56/607542456.db2.gz UVPBNQBLAPKTDE-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(CSc2nnc(-c3cc(C)cc(C)c3)o2)cc1-c1nn[n-]n1 ZINC000826208129 607542458 /nfs/dbraw/zinc/54/24/58/607542458.db2.gz UVPBNQBLAPKTDE-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(CNc2ccc(F)cc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826203780 607550888 /nfs/dbraw/zinc/55/08/88/607550888.db2.gz FXRMSENIRXBEDI-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1ccc(CNc2ccc(F)cc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826203780 607550890 /nfs/dbraw/zinc/55/08/90/607550890.db2.gz FXRMSENIRXBEDI-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2cccc(N3CCCC3)c2)C(=O)[O-])c1 ZINC000832051987 602176300 /nfs/dbraw/zinc/17/63/00/602176300.db2.gz YMGSCGRTRRHFOW-VFNWGFHPSA-N -1 3 384.476 3.781 20 0 GHADHM Fc1ccc(CNc2cc(F)c(Br)cc2F)cc1-c1nn[n-]n1 ZINC000826372912 607808236 /nfs/dbraw/zinc/80/82/36/607808236.db2.gz RAVOFMBXUWSWCN-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824662578 607562195 /nfs/dbraw/zinc/56/21/95/607562195.db2.gz NMJOIBSUKWXBPG-JLTOFOAXSA-N -1 3 397.454 3.743 20 0 GHADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824662578 607562196 /nfs/dbraw/zinc/56/21/96/607562196.db2.gz NMJOIBSUKWXBPG-JLTOFOAXSA-N -1 3 397.454 3.743 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828465863 602374474 /nfs/dbraw/zinc/37/44/74/602374474.db2.gz YLTXJUWPMLXIBR-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM O=C([O-])N1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000740517931 602594699 /nfs/dbraw/zinc/59/46/99/602594699.db2.gz BEXVJYFGDUFGBK-QGZVFWFLSA-N -1 3 375.856 3.546 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000825160195 607577700 /nfs/dbraw/zinc/57/77/00/607577700.db2.gz YDEWTERSXNPTGS-GFCCVEGCSA-N -1 3 385.518 3.774 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000825160195 607577702 /nfs/dbraw/zinc/57/77/02/607577702.db2.gz YDEWTERSXNPTGS-GFCCVEGCSA-N -1 3 385.518 3.774 20 0 GHADHM CCc1ncsc1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825754899 607616819 /nfs/dbraw/zinc/61/68/19/607616819.db2.gz IYVLKSUFQLEHHT-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncsc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825754899 607616822 /nfs/dbraw/zinc/61/68/22/607616822.db2.gz IYVLKSUFQLEHHT-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM COc1ccc(-c2nc(CNCCC3CCN(C(=O)[O-])CC3)cs2)cc1 ZINC000829242579 603601986 /nfs/dbraw/zinc/60/19/86/603601986.db2.gz BDVBILCAJRSXLO-UHFFFAOYSA-N -1 3 375.494 3.688 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN2CCC([C@@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000827974787 603734657 /nfs/dbraw/zinc/73/46/57/603734657.db2.gz FUCVPJJRLTVCEE-SFHVURJKSA-N -1 3 391.537 3.815 20 0 GHADHM S=C(Nc1ccc2ccccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826512256 607648832 /nfs/dbraw/zinc/64/88/32/607648832.db2.gz UXEZJRIFSNVKPF-UHFFFAOYSA-N -1 3 386.484 3.996 20 0 GHADHM S=C(Nc1ccc2ccccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826512256 607648834 /nfs/dbraw/zinc/64/88/34/607648834.db2.gz UXEZJRIFSNVKPF-UHFFFAOYSA-N -1 3 386.484 3.996 20 0 GHADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826306486 607669282 /nfs/dbraw/zinc/66/92/82/607669282.db2.gz ALCRRWVDHVGYME-UHFFFAOYSA-N -1 3 398.470 3.721 20 0 GHADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826306486 607669283 /nfs/dbraw/zinc/66/92/83/607669283.db2.gz ALCRRWVDHVGYME-UHFFFAOYSA-N -1 3 398.470 3.721 20 0 GHADHM c1cc2cccc(NCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)c2s1 ZINC000826516848 607688546 /nfs/dbraw/zinc/68/85/46/607688546.db2.gz DWVCAPADJFJDBH-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1cc2cccc(NCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)c2s1 ZINC000826516848 607688548 /nfs/dbraw/zinc/68/85/48/607688548.db2.gz DWVCAPADJFJDBH-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM Cc1cc([C@@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)oc1C(=O)[O-] ZINC000832870085 604384349 /nfs/dbraw/zinc/38/43/49/604384349.db2.gz AWVSRSPDLQKYNX-CYBMUJFWSA-N -1 3 382.420 3.672 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000574406692 604476251 /nfs/dbraw/zinc/47/62/51/604476251.db2.gz SJONITGHUAYKPE-NRFANRHFSA-N -1 3 385.460 3.681 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826285074 607697279 /nfs/dbraw/zinc/69/72/79/607697279.db2.gz OVJXPBQHIWGWHO-VQTJNVASSA-N -1 3 375.476 3.892 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826285074 607697281 /nfs/dbraw/zinc/69/72/81/607697281.db2.gz OVJXPBQHIWGWHO-VQTJNVASSA-N -1 3 375.476 3.892 20 0 GHADHM CC1(C)CCC(CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824796187 607697478 /nfs/dbraw/zinc/69/74/78/607697478.db2.gz NBLMBXDPLJZBFN-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM CC1(C)CCC(CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000824796187 607697480 /nfs/dbraw/zinc/69/74/80/607697480.db2.gz NBLMBXDPLJZBFN-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000826244355 607701600 /nfs/dbraw/zinc/70/16/00/607701600.db2.gz PDQLTUUSWRODPF-JOCHJYFZSA-N -1 3 375.476 3.660 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000826244355 607701602 /nfs/dbraw/zinc/70/16/02/607701602.db2.gz PDQLTUUSWRODPF-JOCHJYFZSA-N -1 3 375.476 3.660 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833538532 604592193 /nfs/dbraw/zinc/59/21/93/604592193.db2.gz DKLWTTRJGRMHEJ-SFHVURJKSA-N -1 3 383.488 3.762 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824769668 607711118 /nfs/dbraw/zinc/71/11/18/607711118.db2.gz ADMFKMLRFWJESZ-CYBMUJFWSA-N -1 3 378.461 3.660 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824769668 607711120 /nfs/dbraw/zinc/71/11/20/607711120.db2.gz ADMFKMLRFWJESZ-CYBMUJFWSA-N -1 3 378.461 3.660 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000830370088 604801496 /nfs/dbraw/zinc/80/14/96/604801496.db2.gz YQLQLDGSPHTXDQ-OAHLLOKOSA-N -1 3 388.464 3.634 20 0 GHADHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)ccc1OCc1ccncc1 ZINC000831955353 604995189 /nfs/dbraw/zinc/99/51/89/604995189.db2.gz IBHNLCKDJNKPFC-VFNWGFHPSA-N -1 3 393.443 3.541 20 0 GHADHM C[C@]1(NCc2csc(COc3ccc(F)cc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569552 605066543 /nfs/dbraw/zinc/06/65/43/605066543.db2.gz MQEIADFXQNPVGW-LPHOPBHVSA-N -1 3 378.469 3.984 20 0 GHADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)C[C@@H](O)COc1cccc2ccccc21 ZINC000833496303 605102234 /nfs/dbraw/zinc/10/22/34/605102234.db2.gz FNQPAWKMHIEOTK-GOSISDBHSA-N -1 3 382.460 3.516 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833547448 605179381 /nfs/dbraw/zinc/17/93/81/605179381.db2.gz DKQDBOHQYPKYHN-FOIQADDNSA-N -1 3 386.467 3.787 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(CC)c2)cc1-c1nnn[n-]1 ZINC000825545736 607757644 /nfs/dbraw/zinc/75/76/44/607757644.db2.gz VXMCIRCISZCXFL-UHFFFAOYSA-N -1 3 395.423 3.642 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(CC)c2)cc1-c1nn[n-]n1 ZINC000825545736 607757645 /nfs/dbraw/zinc/75/76/45/607757645.db2.gz VXMCIRCISZCXFL-UHFFFAOYSA-N -1 3 395.423 3.642 20 0 GHADHM CCCN(CC(=O)Nc1c(CC)cccc1CC)C1CCN(C(=O)[O-])CC1 ZINC000826898485 605476360 /nfs/dbraw/zinc/47/63/60/605476360.db2.gz WKIDSXDLBWDYRR-UHFFFAOYSA-N -1 3 375.513 3.604 20 0 GHADHM O=C([O-])N1CCC[C@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000834105143 605495063 /nfs/dbraw/zinc/49/50/63/605495063.db2.gz GJEYAJWYUCAXCV-IBGZPJMESA-N -1 3 382.464 3.623 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC(OCc3ccccc3F)CC2)cc1)C(=O)[O-] ZINC000833543623 605550507 /nfs/dbraw/zinc/55/05/07/605550507.db2.gz TUOUFEPEUPCEAQ-INIZCTEOSA-N -1 3 387.451 3.859 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826225381 607763535 /nfs/dbraw/zinc/76/35/35/607763535.db2.gz AQAROIBLKFXCJH-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826225381 607763536 /nfs/dbraw/zinc/76/35/36/607763536.db2.gz AQAROIBLKFXCJH-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccsc1 ZINC000824052908 607770343 /nfs/dbraw/zinc/77/03/43/607770343.db2.gz SEDFZGCCQBRJEJ-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccsc1 ZINC000824052908 607770344 /nfs/dbraw/zinc/77/03/44/607770344.db2.gz SEDFZGCCQBRJEJ-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM COc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(C)c1 ZINC000826187578 607770507 /nfs/dbraw/zinc/77/05/07/607770507.db2.gz WVXNFOAOGAZYDC-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(C)c1 ZINC000826187578 607770508 /nfs/dbraw/zinc/77/05/08/607770508.db2.gz WVXNFOAOGAZYDC-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824918313 607771884 /nfs/dbraw/zinc/77/18/84/607771884.db2.gz PLQBZESKUXKVJY-AUUYWEPGSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824918313 607771885 /nfs/dbraw/zinc/77/18/85/607771885.db2.gz PLQBZESKUXKVJY-AUUYWEPGSA-N -1 3 393.516 3.855 20 0 GHADHM Cn1ccnc1C[C@H](N[C@@H]1C[C@H](NC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833955000 605799179 /nfs/dbraw/zinc/79/91/79/605799179.db2.gz BVGJCWCPWBXUGU-ZCNNSNEGSA-N -1 3 376.460 3.747 20 0 GHADHM O=C([O-])N1CCC([C@H](NCc2ccc(CO)c(F)c2)c2ccc(F)cc2)CC1 ZINC000834072171 605982566 /nfs/dbraw/zinc/98/25/66/605982566.db2.gz BARVNNVRNHDSPW-HXUWFJFHSA-N -1 3 390.430 3.678 20 0 GHADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820243154 606028686 /nfs/dbraw/zinc/02/86/86/606028686.db2.gz WSRSKOPUTXSRRN-LBPRGKRZSA-N -1 3 389.381 3.809 20 0 GHADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820243154 606028690 /nfs/dbraw/zinc/02/86/90/606028690.db2.gz WSRSKOPUTXSRRN-LBPRGKRZSA-N -1 3 389.381 3.809 20 0 GHADHM FC(F)(F)[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H](C(F)(F)F)C1 ZINC000822713939 606039376 /nfs/dbraw/zinc/03/93/76/606039376.db2.gz CHRVTQNBIYKKLA-YUMQZZPRSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)[C@@H]1CC(Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H](C(F)(F)F)C1 ZINC000822713939 606039382 /nfs/dbraw/zinc/03/93/82/606039382.db2.gz CHRVTQNBIYKKLA-YUMQZZPRSA-N -1 3 380.296 3.583 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCc2c[nH]c3ccc(C)cc23)s1 ZINC000821466506 606053015 /nfs/dbraw/zinc/05/30/15/606053015.db2.gz YGRZYSYNDKMEBB-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCc2c[nH]c3ccc(C)cc23)s1 ZINC000821466506 606053019 /nfs/dbraw/zinc/05/30/19/606053019.db2.gz YGRZYSYNDKMEBB-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM Fc1ccccc1OC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000822796731 606105131 /nfs/dbraw/zinc/10/51/31/606105131.db2.gz XBXBOUVYGNVLMR-KRWDZBQOSA-N -1 3 376.395 3.633 20 0 GHADHM Fc1ccccc1OC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000822796731 606105132 /nfs/dbraw/zinc/10/51/32/606105132.db2.gz XBXBOUVYGNVLMR-KRWDZBQOSA-N -1 3 376.395 3.633 20 0 GHADHM CSCc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000821969959 606108662 /nfs/dbraw/zinc/10/86/62/606108662.db2.gz HIBIFXBHTUVBSC-UHFFFAOYSA-N -1 3 397.479 3.674 20 0 GHADHM CSCc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000821969959 606108663 /nfs/dbraw/zinc/10/86/63/606108663.db2.gz HIBIFXBHTUVBSC-UHFFFAOYSA-N -1 3 397.479 3.674 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822418960 606109182 /nfs/dbraw/zinc/10/91/82/606109182.db2.gz KPPWAGAJKHCVFO-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822418960 606109184 /nfs/dbraw/zinc/10/91/84/606109184.db2.gz KPPWAGAJKHCVFO-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000820876067 606121570 /nfs/dbraw/zinc/12/15/70/606121570.db2.gz LCFJDQYCRQBSFA-LLVKDONJSA-N -1 3 383.477 3.847 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000820876067 606121572 /nfs/dbraw/zinc/12/15/72/606121572.db2.gz LCFJDQYCRQBSFA-LLVKDONJSA-N -1 3 383.477 3.847 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000821777513 606126613 /nfs/dbraw/zinc/12/66/13/606126613.db2.gz GSQOBBVSMFMQIH-CYBMUJFWSA-N -1 3 382.468 3.564 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000821777513 606126614 /nfs/dbraw/zinc/12/66/14/606126614.db2.gz GSQOBBVSMFMQIH-CYBMUJFWSA-N -1 3 382.468 3.564 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2cccnc2)cc1 ZINC000820322066 606148774 /nfs/dbraw/zinc/14/87/74/606148774.db2.gz QHDGGNWTSPQIDS-CJTWTEFWSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2cccnc2)cc1 ZINC000820322066 606148775 /nfs/dbraw/zinc/14/87/75/606148775.db2.gz QHDGGNWTSPQIDS-CJTWTEFWSA-N -1 3 396.454 3.819 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000820117284 606150255 /nfs/dbraw/zinc/15/02/55/606150255.db2.gz YYWNIAYSLDMFJK-ONEGZZNKSA-N -1 3 379.439 3.846 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000820117284 606150256 /nfs/dbraw/zinc/15/02/56/606150256.db2.gz YYWNIAYSLDMFJK-ONEGZZNKSA-N -1 3 379.439 3.846 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000820151485 606150375 /nfs/dbraw/zinc/15/03/75/606150375.db2.gz IYNBIKWUCIKQON-ARJAWSKDSA-N -1 3 381.411 3.835 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000820151485 606150377 /nfs/dbraw/zinc/15/03/77/606150377.db2.gz IYNBIKWUCIKQON-ARJAWSKDSA-N -1 3 381.411 3.835 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820512265 606181513 /nfs/dbraw/zinc/18/15/13/606181513.db2.gz INWKKEZBQKCLKE-HIFRSBDPSA-N -1 3 396.472 3.600 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820512265 606181516 /nfs/dbraw/zinc/18/15/16/606181516.db2.gz INWKKEZBQKCLKE-HIFRSBDPSA-N -1 3 396.472 3.600 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000819951865 606182800 /nfs/dbraw/zinc/18/28/00/606182800.db2.gz YJPBFNKJDFZYKU-UHFFFAOYSA-N -1 3 383.477 3.847 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000819951865 606182801 /nfs/dbraw/zinc/18/28/01/606182801.db2.gz YJPBFNKJDFZYKU-UHFFFAOYSA-N -1 3 383.477 3.847 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCSc2ccc(Cl)cc21 ZINC000822979229 606193203 /nfs/dbraw/zinc/19/32/03/606193203.db2.gz ZRCAQNTYBVNVMK-UHFFFAOYSA-N -1 3 399.907 3.982 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCSc2ccc(Cl)cc21 ZINC000822979229 606193204 /nfs/dbraw/zinc/19/32/04/606193204.db2.gz ZRCAQNTYBVNVMK-UHFFFAOYSA-N -1 3 399.907 3.982 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820356956 606197865 /nfs/dbraw/zinc/19/78/65/606197865.db2.gz DGNRUUZHXWJVRO-NQCMUKECSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820356956 606197866 /nfs/dbraw/zinc/19/78/66/606197866.db2.gz DGNRUUZHXWJVRO-NQCMUKECSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820513214 606205641 /nfs/dbraw/zinc/20/56/41/606205641.db2.gz XPHGKBSRVQHHQH-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820513214 606205643 /nfs/dbraw/zinc/20/56/43/606205643.db2.gz XPHGKBSRVQHHQH-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM Cc1cccnc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822370269 606247015 /nfs/dbraw/zinc/24/70/15/606247015.db2.gz VDQYSYPDXBPTHN-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cccnc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822370269 606247016 /nfs/dbraw/zinc/24/70/16/606247016.db2.gz VDQYSYPDXBPTHN-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)o2)cc1 ZINC000822213890 606263131 /nfs/dbraw/zinc/26/31/31/606263131.db2.gz FSCZWMILWOYEEG-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)o2)cc1 ZINC000822213890 606263132 /nfs/dbraw/zinc/26/31/32/606263132.db2.gz FSCZWMILWOYEEG-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)s2)o1 ZINC000822214063 606264757 /nfs/dbraw/zinc/26/47/57/606264757.db2.gz NRCOLDRMTPLDIA-UHFFFAOYSA-N -1 3 384.396 3.591 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)s2)o1 ZINC000822214063 606264758 /nfs/dbraw/zinc/26/47/58/606264758.db2.gz NRCOLDRMTPLDIA-UHFFFAOYSA-N -1 3 384.396 3.591 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822210400 606270139 /nfs/dbraw/zinc/27/01/39/606270139.db2.gz AAMIAINSKYASIF-CQSZACIVSA-N -1 3 388.431 3.896 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822210400 606270140 /nfs/dbraw/zinc/27/01/40/606270140.db2.gz AAMIAINSKYASIF-CQSZACIVSA-N -1 3 388.431 3.896 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000821123395 606282200 /nfs/dbraw/zinc/28/22/00/606282200.db2.gz QCKUPYYQTOYNKU-UHFFFAOYSA-N -1 3 395.448 3.657 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821461925 606304823 /nfs/dbraw/zinc/30/48/23/606304823.db2.gz VZGRXFARSAKNEA-FZKQIMNGSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821461925 606304825 /nfs/dbraw/zinc/30/48/25/606304825.db2.gz VZGRXFARSAKNEA-FZKQIMNGSA-N -1 3 397.504 3.544 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000823066204 606311684 /nfs/dbraw/zinc/31/16/84/606311684.db2.gz PSOHKVGCMSIHRT-UHFFFAOYSA-N -1 3 399.451 3.668 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000823066204 606311685 /nfs/dbraw/zinc/31/16/85/606311685.db2.gz PSOHKVGCMSIHRT-UHFFFAOYSA-N -1 3 399.451 3.668 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512168 606339310 /nfs/dbraw/zinc/33/93/10/606339310.db2.gz IAKQKKKTDRMZTP-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512168 606339312 /nfs/dbraw/zinc/33/93/12/606339312.db2.gz IAKQKKKTDRMZTP-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508631 606344609 /nfs/dbraw/zinc/34/46/09/606344609.db2.gz UEIPIFSCBUPSRF-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508631 606344610 /nfs/dbraw/zinc/34/46/10/606344610.db2.gz UEIPIFSCBUPSRF-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498220 606349311 /nfs/dbraw/zinc/34/93/11/606349311.db2.gz ZWBKWLZAYKUDQD-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498220 606349313 /nfs/dbraw/zinc/34/93/13/606349313.db2.gz ZWBKWLZAYKUDQD-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487077 606354290 /nfs/dbraw/zinc/35/42/90/606354290.db2.gz FDLLVXUJMQADKP-IIANPFDCSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487077 606354292 /nfs/dbraw/zinc/35/42/92/606354292.db2.gz FDLLVXUJMQADKP-IIANPFDCSA-N -1 3 377.429 3.794 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822356809 606356148 /nfs/dbraw/zinc/35/61/48/606356148.db2.gz ZMCLBPDCSMPKAF-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822356809 606356149 /nfs/dbraw/zinc/35/61/49/606356149.db2.gz ZMCLBPDCSMPKAF-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cnc2ccccc2c1C ZINC000821699284 606372566 /nfs/dbraw/zinc/37/25/66/606372566.db2.gz JSSQDZKTLAPDSJ-UHFFFAOYSA-N -1 3 395.806 3.605 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cnc2ccccc2c1C ZINC000821699284 606372568 /nfs/dbraw/zinc/37/25/68/606372568.db2.gz JSSQDZKTLAPDSJ-UHFFFAOYSA-N -1 3 395.806 3.605 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@@H]1CCCSC1 ZINC000823350510 606383480 /nfs/dbraw/zinc/38/34/80/606383480.db2.gz QAKGRPYAANFPJJ-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@@H]1CCCSC1 ZINC000823350510 606383481 /nfs/dbraw/zinc/38/34/81/606383481.db2.gz QAKGRPYAANFPJJ-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225501 606396131 /nfs/dbraw/zinc/39/61/31/606396131.db2.gz JYEHLXGBRVEMPT-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225501 606396132 /nfs/dbraw/zinc/39/61/32/606396132.db2.gz JYEHLXGBRVEMPT-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569814 606413949 /nfs/dbraw/zinc/41/39/49/606413949.db2.gz WXAMSKZMCMWWHP-NXEZZACHSA-N -1 3 387.793 3.852 20 0 GHADHM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569814 606413951 /nfs/dbraw/zinc/41/39/51/606413951.db2.gz WXAMSKZMCMWWHP-NXEZZACHSA-N -1 3 387.793 3.852 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820401984 606415468 /nfs/dbraw/zinc/41/54/68/606415468.db2.gz AWDKUYXKFGQOAT-SECBINFHSA-N -1 3 376.848 3.707 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820401984 606415470 /nfs/dbraw/zinc/41/54/70/606415470.db2.gz AWDKUYXKFGQOAT-SECBINFHSA-N -1 3 376.848 3.707 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000820741052 606422371 /nfs/dbraw/zinc/42/23/71/606422371.db2.gz BCGQJEIMRFMHNP-KBPBESRZSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000820741052 606422373 /nfs/dbraw/zinc/42/23/73/606422373.db2.gz BCGQJEIMRFMHNP-KBPBESRZSA-N -1 3 379.489 3.746 20 0 GHADHM COc1ccccc1Oc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1F ZINC000821903959 606430413 /nfs/dbraw/zinc/43/04/13/606430413.db2.gz ORRIVCDVSVBCMT-UHFFFAOYSA-N -1 3 378.367 3.945 20 0 GHADHM COc1ccccc1Oc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1F ZINC000821903959 606430415 /nfs/dbraw/zinc/43/04/15/606430415.db2.gz ORRIVCDVSVBCMT-UHFFFAOYSA-N -1 3 378.367 3.945 20 0 GHADHM O=[S@@](Cc1cccc(Nc2ncccc2-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823612588 606432873 /nfs/dbraw/zinc/43/28/73/606432873.db2.gz BSSFOORWUAQKBI-MHZLTWQESA-N -1 3 382.493 3.587 20 0 GHADHM O=[S@@](Cc1cccc(Nc2ncccc2-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823612588 606432875 /nfs/dbraw/zinc/43/28/75/606432875.db2.gz BSSFOORWUAQKBI-MHZLTWQESA-N -1 3 382.493 3.587 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]3c3cccnc3)c2c1 ZINC000822582786 606445426 /nfs/dbraw/zinc/44/54/26/606445426.db2.gz WRCISFGJPSYQIH-QGZVFWFLSA-N -1 3 377.839 3.805 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]3c3cccnc3)c2c1 ZINC000822582786 606445428 /nfs/dbraw/zinc/44/54/28/606445428.db2.gz WRCISFGJPSYQIH-QGZVFWFLSA-N -1 3 377.839 3.805 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000820506890 606462522 /nfs/dbraw/zinc/46/25/22/606462522.db2.gz CXMQJUVQPDPFMY-QMMMGPOBSA-N -1 3 390.375 3.591 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2n1C(F)F ZINC000820506890 606462524 /nfs/dbraw/zinc/46/25/24/606462524.db2.gz CXMQJUVQPDPFMY-QMMMGPOBSA-N -1 3 390.375 3.591 20 0 GHADHM O=C(Oc1ccc(Sc2ccncc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454381 606465984 /nfs/dbraw/zinc/46/59/84/606465984.db2.gz PFNASLWKQUJGRK-UHFFFAOYSA-N -1 3 381.442 3.694 20 0 GHADHM O=C(Oc1ccc(Sc2ccncc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454381 606465986 /nfs/dbraw/zinc/46/59/86/606465986.db2.gz PFNASLWKQUJGRK-UHFFFAOYSA-N -1 3 381.442 3.694 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000819975973 606479229 /nfs/dbraw/zinc/47/92/29/606479229.db2.gz GNCSMQVERPXGIM-ZDUSSCGKSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000819975973 606479231 /nfs/dbraw/zinc/47/92/31/606479231.db2.gz GNCSMQVERPXGIM-ZDUSSCGKSA-N -1 3 399.421 3.666 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140594 606484526 /nfs/dbraw/zinc/48/45/26/606484526.db2.gz XHQNFTOFRXIQTO-QGZVFWFLSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140594 606484528 /nfs/dbraw/zinc/48/45/28/606484528.db2.gz XHQNFTOFRXIQTO-QGZVFWFLSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823366928 606495984 /nfs/dbraw/zinc/49/59/84/606495984.db2.gz AITHOZZCEXWAMP-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823366928 606495986 /nfs/dbraw/zinc/49/59/86/606495986.db2.gz AITHOZZCEXWAMP-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1Cl ZINC000821573207 606497272 /nfs/dbraw/zinc/49/72/72/606497272.db2.gz GAGWKKZLSFYCMX-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1Cl ZINC000821573207 606497274 /nfs/dbraw/zinc/49/72/74/606497274.db2.gz GAGWKKZLSFYCMX-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000820334533 606502912 /nfs/dbraw/zinc/50/29/12/606502912.db2.gz NDUVKIPMAAXODO-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Cl ZINC000820334533 606502913 /nfs/dbraw/zinc/50/29/13/606502913.db2.gz NDUVKIPMAAXODO-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000819980614 606504924 /nfs/dbraw/zinc/50/49/24/606504924.db2.gz FGBFRCKUPOEWDW-UHFFFAOYSA-N -1 3 395.410 3.655 20 0 GHADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000819980614 606504925 /nfs/dbraw/zinc/50/49/25/606504925.db2.gz FGBFRCKUPOEWDW-UHFFFAOYSA-N -1 3 395.410 3.655 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2C)s1 ZINC000822214040 606507660 /nfs/dbraw/zinc/50/76/60/606507660.db2.gz MPHZUFHTJCSTRP-UHFFFAOYSA-N -1 3 388.503 3.982 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2C)s1 ZINC000822214040 606507662 /nfs/dbraw/zinc/50/76/62/606507662.db2.gz MPHZUFHTJCSTRP-UHFFFAOYSA-N -1 3 388.503 3.982 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350558 606510299 /nfs/dbraw/zinc/51/02/99/606510299.db2.gz REQCSYVKFDWVHO-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350558 606510300 /nfs/dbraw/zinc/51/03/00/606510300.db2.gz REQCSYVKFDWVHO-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821134043 606524623 /nfs/dbraw/zinc/52/46/23/606524623.db2.gz LPEFHRVUADXEGM-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821134043 606524625 /nfs/dbraw/zinc/52/46/25/606524625.db2.gz LPEFHRVUADXEGM-UHFFFAOYSA-N -1 3 385.855 3.581 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000820542498 606534969 /nfs/dbraw/zinc/53/49/69/606534969.db2.gz OOWVZMWRNVRUJG-KDOFPFPSSA-N -1 3 395.438 3.527 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000820542498 606534971 /nfs/dbraw/zinc/53/49/71/606534971.db2.gz OOWVZMWRNVRUJG-KDOFPFPSSA-N -1 3 395.438 3.527 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821685580 606574650 /nfs/dbraw/zinc/57/46/50/606574650.db2.gz JFPCNWLLOFFHTI-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821685580 606574652 /nfs/dbraw/zinc/57/46/52/606574652.db2.gz JFPCNWLLOFFHTI-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000821612444 606579301 /nfs/dbraw/zinc/57/93/01/606579301.db2.gz VNQNUNDXURMDSQ-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000821612444 606579302 /nfs/dbraw/zinc/57/93/02/606579302.db2.gz VNQNUNDXURMDSQ-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1(C)CC1 ZINC000820306653 606581645 /nfs/dbraw/zinc/58/16/45/606581645.db2.gz BBQBLEHKRWNKGD-CQSZACIVSA-N -1 3 376.464 3.871 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000820527216 606583939 /nfs/dbraw/zinc/58/39/39/606583939.db2.gz KIWIBQAZVJFNGF-CYBMUJFWSA-N -1 3 393.447 3.502 20 0 GHADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821578135 606588996 /nfs/dbraw/zinc/58/89/96/606588996.db2.gz PBOKFZBLGYIPKZ-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM CN(C)C(=O)Sc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821578135 606588998 /nfs/dbraw/zinc/58/89/98/606588998.db2.gz PBOKFZBLGYIPKZ-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM CC(C)(C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)no1 ZINC000819965599 606597988 /nfs/dbraw/zinc/59/79/88/606597988.db2.gz JFVQKKMRDOAOSY-UHFFFAOYSA-N -1 3 396.423 3.582 20 0 GHADHM CC(C)(C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)no1 ZINC000819965599 606597991 /nfs/dbraw/zinc/59/79/91/606597991.db2.gz JFVQKKMRDOAOSY-UHFFFAOYSA-N -1 3 396.423 3.582 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765009 606603154 /nfs/dbraw/zinc/60/31/54/606603154.db2.gz MFESMGKJMLDXCW-XSNHNAGMSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765009 606603156 /nfs/dbraw/zinc/60/31/56/606603156.db2.gz MFESMGKJMLDXCW-XSNHNAGMSA-N -1 3 399.401 3.749 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820675104 606618996 /nfs/dbraw/zinc/61/89/96/606618996.db2.gz HUTRKEWMDOLSRW-UROBUVALSA-N -1 3 376.420 3.739 20 0 GHADHM Cc1cnc(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)o1 ZINC000822395151 606645910 /nfs/dbraw/zinc/64/59/10/606645910.db2.gz TWPFYGVKKQCHKO-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1cnc(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)o1 ZINC000822395151 606645911 /nfs/dbraw/zinc/64/59/11/606645911.db2.gz TWPFYGVKKQCHKO-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822681315 606665749 /nfs/dbraw/zinc/66/57/49/606665749.db2.gz WPIWLULEBKHRNJ-UHFFFAOYSA-N -1 3 380.839 3.583 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822681315 606665750 /nfs/dbraw/zinc/66/57/50/606665750.db2.gz WPIWLULEBKHRNJ-UHFFFAOYSA-N -1 3 380.839 3.583 20 0 GHADHM O=C(Nc1ccc2c3c(cccc31)CC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823356879 606669056 /nfs/dbraw/zinc/66/90/56/606669056.db2.gz QATSJRLWBBIJBL-UHFFFAOYSA-N -1 3 377.354 3.649 20 0 GHADHM O=C(Nc1ccc2c3c(cccc31)CC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823356879 606669057 /nfs/dbraw/zinc/66/90/57/606669057.db2.gz QATSJRLWBBIJBL-UHFFFAOYSA-N -1 3 377.354 3.649 20 0 GHADHM CC(C)c1nc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000820203889 606669261 /nfs/dbraw/zinc/66/92/61/606669261.db2.gz YSGMJLBTUWFPBR-UHFFFAOYSA-N -1 3 384.346 3.662 20 0 GHADHM CC(C)c1nc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000820203889 606669262 /nfs/dbraw/zinc/66/92/62/606669262.db2.gz YSGMJLBTUWFPBR-UHFFFAOYSA-N -1 3 384.346 3.662 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000820057001 606670779 /nfs/dbraw/zinc/67/07/79/606670779.db2.gz VEWGPIGFNRZAHE-INIZCTEOSA-N -1 3 397.479 3.834 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000820057001 606670780 /nfs/dbraw/zinc/67/07/80/606670780.db2.gz VEWGPIGFNRZAHE-INIZCTEOSA-N -1 3 397.479 3.834 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H](C)c1ccc(F)cc1 ZINC000821153916 606672646 /nfs/dbraw/zinc/67/26/46/606672646.db2.gz HEJKPWYILXZBGM-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](C)c1ccc(F)cc1 ZINC000821153916 606672647 /nfs/dbraw/zinc/67/26/47/606672647.db2.gz HEJKPWYILXZBGM-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000819975916 606673404 /nfs/dbraw/zinc/67/34/04/606673404.db2.gz FPDMDFDYZDMDBX-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000819975916 606673405 /nfs/dbraw/zinc/67/34/05/606673405.db2.gz FPDMDFDYZDMDBX-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM CCCCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000821077647 606674386 /nfs/dbraw/zinc/67/43/86/606674386.db2.gz OWOFOEBRYPEWTH-UHFFFAOYSA-N -1 3 387.390 3.885 20 0 GHADHM CCCCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000821077647 606674387 /nfs/dbraw/zinc/67/43/87/606674387.db2.gz OWOFOEBRYPEWTH-UHFFFAOYSA-N -1 3 387.390 3.885 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)CSc2ccc(F)cc2)s1 ZINC000821465969 606674530 /nfs/dbraw/zinc/67/45/30/606674530.db2.gz SDWWNAPUPBBZHE-JTQLQIEISA-N -1 3 391.497 3.997 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)CSc2ccc(F)cc2)s1 ZINC000821465969 606674531 /nfs/dbraw/zinc/67/45/31/606674531.db2.gz SDWWNAPUPBBZHE-JTQLQIEISA-N -1 3 391.497 3.997 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299338 606677343 /nfs/dbraw/zinc/67/73/43/606677343.db2.gz SKSJAMKWROVUQC-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819899777 606685416 /nfs/dbraw/zinc/68/54/16/606685416.db2.gz YQIPBZQQGMRDPM-UHFFFAOYSA-N -1 3 385.374 3.626 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819899777 606685417 /nfs/dbraw/zinc/68/54/17/606685417.db2.gz YQIPBZQQGMRDPM-UHFFFAOYSA-N -1 3 385.374 3.626 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823078167 606693908 /nfs/dbraw/zinc/69/39/08/606693908.db2.gz HBSFGZAXGMTOSL-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823078167 606693909 /nfs/dbraw/zinc/69/39/09/606693909.db2.gz HBSFGZAXGMTOSL-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000822929123 606694323 /nfs/dbraw/zinc/69/43/23/606694323.db2.gz PYMYKHZZIBSODR-DGXIYAMASA-N -1 3 399.429 3.925 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000822929123 606694324 /nfs/dbraw/zinc/69/43/24/606694324.db2.gz PYMYKHZZIBSODR-DGXIYAMASA-N -1 3 399.429 3.925 20 0 GHADHM CCc1cnc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000821499965 606704609 /nfs/dbraw/zinc/70/46/09/606704609.db2.gz YMKYMNFAPNKFKT-UHFFFAOYSA-N -1 3 380.383 3.961 20 0 GHADHM CCc1cnc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000821499965 606704611 /nfs/dbraw/zinc/70/46/11/606704611.db2.gz YMKYMNFAPNKFKT-UHFFFAOYSA-N -1 3 380.383 3.961 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000823689121 606723836 /nfs/dbraw/zinc/72/38/36/606723836.db2.gz AVBSSGFOSXFBMI-OAQYLSRUSA-N -1 3 387.443 3.591 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cccc1C(F)(F)F ZINC000822104548 606772191 /nfs/dbraw/zinc/77/21/91/606772191.db2.gz OHAOZHWGXKJWTD-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cccc1C(F)(F)F ZINC000822104548 606772192 /nfs/dbraw/zinc/77/21/92/606772192.db2.gz OHAOZHWGXKJWTD-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000822136232 606774006 /nfs/dbraw/zinc/77/40/06/606774006.db2.gz JWHVEBVUJKMOHN-UHFFFAOYSA-N -1 3 377.448 3.984 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000822136232 606774008 /nfs/dbraw/zinc/77/40/08/606774008.db2.gz JWHVEBVUJKMOHN-UHFFFAOYSA-N -1 3 377.448 3.984 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1Cl ZINC000823031392 606785307 /nfs/dbraw/zinc/78/53/07/606785307.db2.gz ACEJUAKKGLHVHM-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1Cl ZINC000823031392 606785309 /nfs/dbraw/zinc/78/53/09/606785309.db2.gz ACEJUAKKGLHVHM-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM CC(C)(C)c1cnc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000819965421 606786206 /nfs/dbraw/zinc/78/62/06/606786206.db2.gz GFAXGKNZTOGRSL-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM CC(C)(C)c1cnc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000819965421 606786208 /nfs/dbraw/zinc/78/62/08/606786208.db2.gz GFAXGKNZTOGRSL-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCC(F)(F)F)cc1 ZINC000822145778 606796445 /nfs/dbraw/zinc/79/64/45/606796445.db2.gz UBNHXINVJZZYAB-UHFFFAOYSA-N -1 3 391.353 3.650 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCC(F)(F)F)cc1 ZINC000822145778 606796446 /nfs/dbraw/zinc/79/64/46/606796446.db2.gz UBNHXINVJZZYAB-UHFFFAOYSA-N -1 3 391.353 3.650 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000822758571 606798340 /nfs/dbraw/zinc/79/83/40/606798340.db2.gz SCNASTBUQAMBLQ-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(Cl)c1 ZINC000125224203 606836010 /nfs/dbraw/zinc/83/60/10/606836010.db2.gz USFVHSURYZXZLN-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(Cl)c1 ZINC000125224203 606836012 /nfs/dbraw/zinc/83/60/12/606836012.db2.gz USFVHSURYZXZLN-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820972672 606840165 /nfs/dbraw/zinc/84/01/65/606840165.db2.gz QLOYFEASPLWPOG-RDTXWAMCSA-N -1 3 380.404 3.522 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820972672 606840168 /nfs/dbraw/zinc/84/01/68/606840168.db2.gz QLOYFEASPLWPOG-RDTXWAMCSA-N -1 3 380.404 3.522 20 0 GHADHM CO[C@H](C)c1nc(CSCCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675937 606841385 /nfs/dbraw/zinc/84/13/85/606841385.db2.gz WXAOINUXFCUXFJ-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM CO[C@H](C)c1nc(CSCCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675937 606841387 /nfs/dbraw/zinc/84/13/87/606841387.db2.gz WXAOINUXFCUXFJ-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM c1cn(C2CCCC2)nc1CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823743012 606841663 /nfs/dbraw/zinc/84/16/63/606841663.db2.gz QEZSNOZKURGGCS-UHFFFAOYSA-N -1 3 384.509 3.881 20 0 GHADHM c1cn(C2CCCC2)nc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823810384 606867658 /nfs/dbraw/zinc/86/76/58/606867658.db2.gz YMYYBRJOWQXXFV-UHFFFAOYSA-N -1 3 381.509 3.744 20 0 GHADHM c1cn(C2CCCC2)nc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823810384 606867661 /nfs/dbraw/zinc/86/76/61/606867661.db2.gz YMYYBRJOWQXXFV-UHFFFAOYSA-N -1 3 381.509 3.744 20 0 GHADHM Fc1cc(Cn2nccc2NCc2cc(-c3nnn[n-]3)cs2)ccc1Cl ZINC000822748017 606917647 /nfs/dbraw/zinc/91/76/47/606917647.db2.gz CWMOZWDSNNCLSI-UHFFFAOYSA-N -1 3 389.847 3.578 20 0 GHADHM Fc1cc(Cn2nccc2NCc2cc(-c3nn[n-]n3)cs2)ccc1Cl ZINC000822748017 606917649 /nfs/dbraw/zinc/91/76/49/606917649.db2.gz CWMOZWDSNNCLSI-UHFFFAOYSA-N -1 3 389.847 3.578 20 0 GHADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1NC(=O)C(C)(C)C ZINC000822258992 606929879 /nfs/dbraw/zinc/92/98/79/606929879.db2.gz IKHMTXGBTYHALG-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1NC(=O)C(C)(C)C ZINC000822258992 606929880 /nfs/dbraw/zinc/92/98/80/606929880.db2.gz IKHMTXGBTYHALG-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000823366961 606930026 /nfs/dbraw/zinc/93/00/26/606930026.db2.gz BBXDBWKXEMRIMG-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000823366961 606930028 /nfs/dbraw/zinc/93/00/28/606930028.db2.gz BBXDBWKXEMRIMG-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM CO[C@H](C)c1nc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cs1 ZINC000821675899 606943335 /nfs/dbraw/zinc/94/33/35/606943335.db2.gz WEUHQUCZRLXLBP-MRVPVSSYSA-N -1 3 384.387 3.662 20 0 GHADHM CO[C@H](C)c1nc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cs1 ZINC000821675899 606943336 /nfs/dbraw/zinc/94/33/36/606943336.db2.gz WEUHQUCZRLXLBP-MRVPVSSYSA-N -1 3 384.387 3.662 20 0 GHADHM CC(C)(C)c1nnc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000819971492 606945505 /nfs/dbraw/zinc/94/55/05/606945505.db2.gz MXZFIRGACHWCRR-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM CC(C)(C)c1nnc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000819971492 606945506 /nfs/dbraw/zinc/94/55/06/606945506.db2.gz MXZFIRGACHWCRR-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349790 606951972 /nfs/dbraw/zinc/95/19/72/606951972.db2.gz IISXIDPXGLCMIK-MGPUTAFESA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349790 606951974 /nfs/dbraw/zinc/95/19/74/606951974.db2.gz IISXIDPXGLCMIK-MGPUTAFESA-N -1 3 390.491 3.893 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000822217803 606952876 /nfs/dbraw/zinc/95/28/76/606952876.db2.gz NXRVOLTVONUHBQ-LJQANCHMSA-N -1 3 376.464 3.962 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000822217803 606952878 /nfs/dbraw/zinc/95/28/78/606952878.db2.gz NXRVOLTVONUHBQ-LJQANCHMSA-N -1 3 376.464 3.962 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820950465 606957898 /nfs/dbraw/zinc/95/78/98/606957898.db2.gz NSOQTLUYMAIGJJ-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820950465 606957900 /nfs/dbraw/zinc/95/79/00/606957900.db2.gz NSOQTLUYMAIGJJ-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822016031 606963624 /nfs/dbraw/zinc/96/36/24/606963624.db2.gz UERFMOFBFZDYJC-UHFFFAOYSA-N -1 3 385.786 3.990 20 0 GHADHM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822016031 606963625 /nfs/dbraw/zinc/96/36/25/606963625.db2.gz UERFMOFBFZDYJC-UHFFFAOYSA-N -1 3 385.786 3.990 20 0 GHADHM COCc1c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)sc2cccc(F)c21 ZINC000821695139 606971663 /nfs/dbraw/zinc/97/16/63/606971663.db2.gz LAESYQDBIMLLCR-UHFFFAOYSA-N -1 3 397.435 3.644 20 0 GHADHM COCc1c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)sc2cccc(F)c21 ZINC000821695139 606971664 /nfs/dbraw/zinc/97/16/64/606971664.db2.gz LAESYQDBIMLLCR-UHFFFAOYSA-N -1 3 397.435 3.644 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822229048 606994240 /nfs/dbraw/zinc/99/42/40/606994240.db2.gz LATGRZFVWZGLMP-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822229048 606994241 /nfs/dbraw/zinc/99/42/41/606994241.db2.gz LATGRZFVWZGLMP-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000821346818 607034570 /nfs/dbraw/zinc/03/45/70/607034570.db2.gz QCAPIRPGIXFPPP-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000821346818 607034573 /nfs/dbraw/zinc/03/45/73/607034573.db2.gz QCAPIRPGIXFPPP-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)c1 ZINC000822196304 607037942 /nfs/dbraw/zinc/03/79/42/607037942.db2.gz DGNHBGNKZZSPFF-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)c1 ZINC000822196304 607037944 /nfs/dbraw/zinc/03/79/44/607037944.db2.gz DGNHBGNKZZSPFF-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000822739966 607056399 /nfs/dbraw/zinc/05/63/99/607056399.db2.gz FSPNHVQBXSCLDD-CYBMUJFWSA-N -1 3 380.210 3.536 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000822739966 607056401 /nfs/dbraw/zinc/05/64/01/607056401.db2.gz FSPNHVQBXSCLDD-CYBMUJFWSA-N -1 3 380.210 3.536 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Br ZINC000820426822 607057320 /nfs/dbraw/zinc/05/73/20/607057320.db2.gz OBZLNNKFPZGZIC-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Br ZINC000820426822 607057321 /nfs/dbraw/zinc/05/73/21/607057321.db2.gz OBZLNNKFPZGZIC-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccnc(Oc2ccccc2)c1 ZINC000823418241 607081269 /nfs/dbraw/zinc/08/12/69/607081269.db2.gz OHIPSPBJTMUWKQ-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccnc(Oc2ccccc2)c1 ZINC000823418241 607081270 /nfs/dbraw/zinc/08/12/70/607081270.db2.gz OHIPSPBJTMUWKQ-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc(-c2ccccc2F)n1 ZINC000823417755 607081760 /nfs/dbraw/zinc/08/17/60/607081760.db2.gz HZTNHSVRWHWKDE-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc(-c2ccccc2F)n1 ZINC000823417755 607081761 /nfs/dbraw/zinc/08/17/61/607081761.db2.gz HZTNHSVRWHWKDE-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820480662 607082472 /nfs/dbraw/zinc/08/24/72/607082472.db2.gz MLKXHGOGIXNBOW-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820480662 607082473 /nfs/dbraw/zinc/08/24/73/607082473.db2.gz MLKXHGOGIXNBOW-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822233917 607086188 /nfs/dbraw/zinc/08/61/88/607086188.db2.gz XUJLRHVDRFQKCS-RTBURBONSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822233917 607086190 /nfs/dbraw/zinc/08/61/90/607086190.db2.gz XUJLRHVDRFQKCS-RTBURBONSA-N -1 3 396.422 3.525 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000821304572 607102219 /nfs/dbraw/zinc/10/22/19/607102219.db2.gz LLTXUMCUJXURCT-UHFFFAOYSA-N -1 3 394.332 3.709 20 0 GHADHM COc1cccc2c1CC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821877559 607118768 /nfs/dbraw/zinc/11/87/68/607118768.db2.gz LYMDJNQBCYEFIW-INIZCTEOSA-N -1 3 394.385 3.801 20 0 GHADHM COc1cccc2c1CC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821877559 607118770 /nfs/dbraw/zinc/11/87/70/607118770.db2.gz LYMDJNQBCYEFIW-INIZCTEOSA-N -1 3 394.385 3.801 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937633 607153662 /nfs/dbraw/zinc/15/36/62/607153662.db2.gz AQVCEYRWOSXHND-HNAYVOBHSA-N -1 3 385.512 3.904 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937633 607153663 /nfs/dbraw/zinc/15/36/63/607153663.db2.gz AQVCEYRWOSXHND-HNAYVOBHSA-N -1 3 385.512 3.904 20 0 GHADHM O=C(C1=CCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822912016 607157973 /nfs/dbraw/zinc/15/79/73/607157973.db2.gz IWWRSPTUUANKTF-UHFFFAOYSA-N -1 3 377.423 3.645 20 0 GHADHM O=C(C1=CCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822912016 607157975 /nfs/dbraw/zinc/15/79/75/607157975.db2.gz IWWRSPTUUANKTF-UHFFFAOYSA-N -1 3 377.423 3.645 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822586011 607172202 /nfs/dbraw/zinc/17/22/02/607172202.db2.gz QMARCZOTOXZHCA-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822586011 607172203 /nfs/dbraw/zinc/17/22/03/607172203.db2.gz QMARCZOTOXZHCA-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(C(F)(F)F)c1 ZINC000823319109 607189396 /nfs/dbraw/zinc/18/93/96/607189396.db2.gz REXLAKKRMOXEGW-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(C(F)(F)F)c1 ZINC000823319109 607189397 /nfs/dbraw/zinc/18/93/97/607189397.db2.gz REXLAKKRMOXEGW-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821782851 607197640 /nfs/dbraw/zinc/19/76/40/607197640.db2.gz PZSXWRNLRFLOCR-NSHDSACASA-N -1 3 386.843 3.720 20 0 GHADHM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821782851 607197641 /nfs/dbraw/zinc/19/76/41/607197641.db2.gz PZSXWRNLRFLOCR-NSHDSACASA-N -1 3 386.843 3.720 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822235223 607201879 /nfs/dbraw/zinc/20/18/79/607201879.db2.gz XTBBXVMEEXHCEO-CYBMUJFWSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822235223 607201880 /nfs/dbraw/zinc/20/18/80/607201880.db2.gz XTBBXVMEEXHCEO-CYBMUJFWSA-N -1 3 384.871 3.923 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000819835667 607233948 /nfs/dbraw/zinc/23/39/48/607233948.db2.gz YBRPPUKXIXTQQX-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000819835667 607233949 /nfs/dbraw/zinc/23/39/49/607233949.db2.gz YBRPPUKXIXTQQX-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Cc1cc(C)c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)sc2n1 ZINC000822195110 607243941 /nfs/dbraw/zinc/24/39/41/607243941.db2.gz HRPRLMSSWXYROP-UHFFFAOYSA-N -1 3 384.852 3.999 20 0 GHADHM Cc1cc(C)c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)sc2n1 ZINC000822195110 607243942 /nfs/dbraw/zinc/24/39/42/607243942.db2.gz HRPRLMSSWXYROP-UHFFFAOYSA-N -1 3 384.852 3.999 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822418882 607249561 /nfs/dbraw/zinc/24/95/61/607249561.db2.gz HVGXRFPTZXQSSG-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822418882 607249562 /nfs/dbraw/zinc/24/95/62/607249562.db2.gz HVGXRFPTZXQSSG-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000825552932 607784982 /nfs/dbraw/zinc/78/49/82/607784982.db2.gz GASXNLJQTXWYIE-INIZCTEOSA-N -1 3 382.399 3.674 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000825552932 607784983 /nfs/dbraw/zinc/78/49/83/607784983.db2.gz GASXNLJQTXWYIE-INIZCTEOSA-N -1 3 382.399 3.674 20 0 GHADHM CCN(C(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385425 607797657 /nfs/dbraw/zinc/79/76/57/607797657.db2.gz FLNIQUPLVAFJGC-UHFFFAOYSA-N -1 3 392.444 3.782 20 0 GHADHM CCN(C(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385425 607797658 /nfs/dbraw/zinc/79/76/58/607797658.db2.gz FLNIQUPLVAFJGC-UHFFFAOYSA-N -1 3 392.444 3.782 20 0 GHADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C1CCCC1 ZINC000824157994 607806787 /nfs/dbraw/zinc/80/67/87/607806787.db2.gz PJYNJVNXDOQJSM-UHFFFAOYSA-N -1 3 382.512 3.757 20 0 GHADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C1CCCC1 ZINC000824157994 607806788 /nfs/dbraw/zinc/80/67/88/607806788.db2.gz PJYNJVNXDOQJSM-UHFFFAOYSA-N -1 3 382.512 3.757 20 0 GHADHM Fc1ccc(CNc2cc(F)c(Br)cc2F)cc1-c1nnn[n-]1 ZINC000826372912 607808235 /nfs/dbraw/zinc/80/82/35/607808235.db2.gz RAVOFMBXUWSWCN-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000825621855 607816704 /nfs/dbraw/zinc/81/67/04/607816704.db2.gz ZFEKRAFAIAJBJI-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000825621855 607816705 /nfs/dbraw/zinc/81/67/05/607816705.db2.gz ZFEKRAFAIAJBJI-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826264975 607817223 /nfs/dbraw/zinc/81/72/23/607817223.db2.gz IARCGVMYOUBHCO-UHFFFAOYSA-N -1 3 394.460 3.738 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826264975 607817224 /nfs/dbraw/zinc/81/72/24/607817224.db2.gz IARCGVMYOUBHCO-UHFFFAOYSA-N -1 3 394.460 3.738 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824458694 607822542 /nfs/dbraw/zinc/82/25/42/607822542.db2.gz XMODSRWVLUREBC-ZDUSSCGKSA-N -1 3 381.867 3.504 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824458694 607822543 /nfs/dbraw/zinc/82/25/43/607822543.db2.gz XMODSRWVLUREBC-ZDUSSCGKSA-N -1 3 381.867 3.504 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000825621678 607827060 /nfs/dbraw/zinc/82/70/60/607827060.db2.gz XCVVNLQTMCIXNW-GOSISDBHSA-N -1 3 395.463 3.760 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000825621678 607827061 /nfs/dbraw/zinc/82/70/61/607827061.db2.gz XCVVNLQTMCIXNW-GOSISDBHSA-N -1 3 395.463 3.760 20 0 GHADHM C[C@@H]1CSc2ccccc2N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825014843 607830293 /nfs/dbraw/zinc/83/02/93/607830293.db2.gz YEUBFGCZDBAAQU-AWEZNQCLSA-N -1 3 379.489 3.574 20 0 GHADHM C[C@@H]1CSc2ccccc2N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825014843 607830294 /nfs/dbraw/zinc/83/02/94/607830294.db2.gz YEUBFGCZDBAAQU-AWEZNQCLSA-N -1 3 379.489 3.574 20 0 GHADHM COCC[C@@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826154621 607836996 /nfs/dbraw/zinc/83/69/96/607836996.db2.gz TXYSTMOPKWVPPU-CQSZACIVSA-N -1 3 398.488 3.741 20 0 GHADHM COCC[C@@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826154621 607836997 /nfs/dbraw/zinc/83/69/97/607836997.db2.gz TXYSTMOPKWVPPU-CQSZACIVSA-N -1 3 398.488 3.741 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506393 607857982 /nfs/dbraw/zinc/85/79/82/607857982.db2.gz OBQSGVRVKWLLAO-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506393 607857983 /nfs/dbraw/zinc/85/79/83/607857983.db2.gz OBQSGVRVKWLLAO-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM CCSc1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825674345 607866733 /nfs/dbraw/zinc/86/67/33/607866733.db2.gz JTPOFEKMTZKZGA-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCSc1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825674345 607866734 /nfs/dbraw/zinc/86/67/34/607866734.db2.gz JTPOFEKMTZKZGA-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM O[C@@H](COc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504963 607869694 /nfs/dbraw/zinc/86/96/94/607869694.db2.gz JBNDUOIQGQAKPY-NRFANRHFSA-N -1 3 388.427 3.558 20 0 GHADHM O[C@@H](COc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504963 607869695 /nfs/dbraw/zinc/86/96/95/607869695.db2.gz JBNDUOIQGQAKPY-NRFANRHFSA-N -1 3 388.427 3.558 20 0 GHADHM CCN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376712 607877796 /nfs/dbraw/zinc/87/77/96/607877796.db2.gz MDIWODKYOWFWJM-UHFFFAOYSA-N -1 3 394.237 3.908 20 0 GHADHM CCN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376712 607877797 /nfs/dbraw/zinc/87/77/97/607877797.db2.gz MDIWODKYOWFWJM-UHFFFAOYSA-N -1 3 394.237 3.908 20 0 GHADHM O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826398753 607881550 /nfs/dbraw/zinc/88/15/50/607881550.db2.gz FCYGLLVJECGKQK-NZSAHSFTSA-N -1 3 379.508 3.964 20 0 GHADHM O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826398753 607881551 /nfs/dbraw/zinc/88/15/51/607881551.db2.gz FCYGLLVJECGKQK-NZSAHSFTSA-N -1 3 379.508 3.964 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824802048 607894013 /nfs/dbraw/zinc/89/40/13/607894013.db2.gz KSBOFWBFCXUSCN-MRXNPFEDSA-N -1 3 397.523 3.843 20 0 GHADHM O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399523 607948912 /nfs/dbraw/zinc/94/89/12/607948912.db2.gz YAUMOUHWXPDQIS-UXHICEINSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399523 607948913 /nfs/dbraw/zinc/94/89/13/607948913.db2.gz YAUMOUHWXPDQIS-UXHICEINSA-N -1 3 381.439 3.713 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC(F)F)c(OC)c1 ZINC000825782883 607975877 /nfs/dbraw/zinc/97/58/77/607975877.db2.gz TVYLURCLHJSHEH-UHFFFAOYSA-N -1 3 386.362 3.513 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC(F)F)c(OC)c1 ZINC000825782883 607975878 /nfs/dbraw/zinc/97/58/78/607975878.db2.gz TVYLURCLHJSHEH-UHFFFAOYSA-N -1 3 386.362 3.513 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C(F)F ZINC000824284879 607999835 /nfs/dbraw/zinc/99/98/35/607999835.db2.gz QPFNUFMNLAGFKW-UHFFFAOYSA-N -1 3 395.801 3.563 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C(F)F ZINC000824284879 607999836 /nfs/dbraw/zinc/99/98/36/607999836.db2.gz QPFNUFMNLAGFKW-UHFFFAOYSA-N -1 3 395.801 3.563 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)C3CCC(F)(F)CC3)c2-c2nnn[n-]2)C1 ZINC000824967439 607999890 /nfs/dbraw/zinc/99/98/90/607999890.db2.gz JZKHMEPREHDDAS-VIFPVBQESA-N -1 3 381.452 3.817 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)C3CCC(F)(F)CC3)c2-c2nn[n-]n2)C1 ZINC000824967439 607999891 /nfs/dbraw/zinc/99/98/91/607999891.db2.gz JZKHMEPREHDDAS-VIFPVBQESA-N -1 3 381.452 3.817 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccccc1CCC(F)(F)F ZINC000826173911 608000684 /nfs/dbraw/zinc/00/06/84/608000684.db2.gz APKAJTQZNDZDJW-UHFFFAOYSA-N -1 3 392.337 3.589 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccccc1CCC(F)(F)F ZINC000826173911 608000685 /nfs/dbraw/zinc/00/06/85/608000685.db2.gz APKAJTQZNDZDJW-UHFFFAOYSA-N -1 3 392.337 3.589 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825687397 608003779 /nfs/dbraw/zinc/00/37/79/608003779.db2.gz IULWSOFJCYHMEI-LLVKDONJSA-N -1 3 385.493 3.625 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000825687397 608003780 /nfs/dbraw/zinc/00/37/80/608003780.db2.gz IULWSOFJCYHMEI-LLVKDONJSA-N -1 3 385.493 3.625 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830230 608005504 /nfs/dbraw/zinc/00/55/04/608005504.db2.gz PGKILTUXJHNQBX-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830230 608005505 /nfs/dbraw/zinc/00/55/05/608005505.db2.gz PGKILTUXJHNQBX-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM COc1ccccc1[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccn1 ZINC000826219305 608017027 /nfs/dbraw/zinc/01/70/27/608017027.db2.gz YACUVODZRXFITP-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccccc1[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000826219305 608017028 /nfs/dbraw/zinc/01/70/28/608017028.db2.gz YACUVODZRXFITP-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826469035 608032328 /nfs/dbraw/zinc/03/23/28/608032328.db2.gz RPKWSUWURCINIF-MRXNPFEDSA-N -1 3 397.429 3.772 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826469035 608032329 /nfs/dbraw/zinc/03/23/29/608032329.db2.gz RPKWSUWURCINIF-MRXNPFEDSA-N -1 3 397.429 3.772 20 0 GHADHM Cc1cc2c(ncnc2NCCSCc2ccccc2-c2nnn[n-]2)s1 ZINC000826272762 608047478 /nfs/dbraw/zinc/04/74/78/608047478.db2.gz AAUIHIVFMLHQTB-UHFFFAOYSA-N -1 3 383.506 3.525 20 0 GHADHM Cc1cc2c(ncnc2NCCSCc2ccccc2-c2nn[n-]n2)s1 ZINC000826272762 608047479 /nfs/dbraw/zinc/04/74/79/608047479.db2.gz AAUIHIVFMLHQTB-UHFFFAOYSA-N -1 3 383.506 3.525 20 0 GHADHM O=C(OCCCC(F)(F)F)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826462964 608075906 /nfs/dbraw/zinc/07/59/06/608075906.db2.gz OUSDMOGNEAJJAY-UHFFFAOYSA-N -1 3 396.325 3.538 20 0 GHADHM O=C(OCCCC(F)(F)F)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826462964 608075907 /nfs/dbraw/zinc/07/59/07/608075907.db2.gz OUSDMOGNEAJJAY-UHFFFAOYSA-N -1 3 396.325 3.538 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825114124 608083836 /nfs/dbraw/zinc/08/38/36/608083836.db2.gz JURIRGVBHWQPMH-YLJYHZDGSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825114124 608083837 /nfs/dbraw/zinc/08/38/37/608083837.db2.gz JURIRGVBHWQPMH-YLJYHZDGSA-N -1 3 397.523 3.763 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272144 608085290 /nfs/dbraw/zinc/08/52/90/608085290.db2.gz WLANYACMGMZPQC-VQIMIIECSA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272144 608085291 /nfs/dbraw/zinc/08/52/91/608085291.db2.gz WLANYACMGMZPQC-VQIMIIECSA-N -1 3 385.512 3.763 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520952 608115060 /nfs/dbraw/zinc/11/50/60/608115060.db2.gz GPAAHMYAFDHBEA-AWEZNQCLSA-N -1 3 388.431 3.563 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520952 608115061 /nfs/dbraw/zinc/11/50/61/608115061.db2.gz GPAAHMYAFDHBEA-AWEZNQCLSA-N -1 3 388.431 3.563 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000825317822 608126974 /nfs/dbraw/zinc/12/69/74/608126974.db2.gz CWEWOIKSEIXGMP-MRXNPFEDSA-N -1 3 390.557 3.566 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000825317822 608126975 /nfs/dbraw/zinc/12/69/75/608126975.db2.gz CWEWOIKSEIXGMP-MRXNPFEDSA-N -1 3 390.557 3.566 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520935 608169167 /nfs/dbraw/zinc/16/91/67/608169167.db2.gz GGUMMLQMHRCHEQ-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520935 608169169 /nfs/dbraw/zinc/16/91/69/608169169.db2.gz GGUMMLQMHRCHEQ-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000826317963 608170900 /nfs/dbraw/zinc/17/09/00/608170900.db2.gz QVDHNZPJGFMNTD-CYBMUJFWSA-N -1 3 391.387 3.873 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000826317963 608170902 /nfs/dbraw/zinc/17/09/02/608170902.db2.gz QVDHNZPJGFMNTD-CYBMUJFWSA-N -1 3 391.387 3.873 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000825788620 608178470 /nfs/dbraw/zinc/17/84/70/608178470.db2.gz SNWBKRIJSPIXAZ-GFCCVEGCSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000825788620 608178471 /nfs/dbraw/zinc/17/84/71/608178471.db2.gz SNWBKRIJSPIXAZ-GFCCVEGCSA-N -1 3 393.426 3.508 20 0 GHADHM O=C(c1ccccc1NCc1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474277 608206071 /nfs/dbraw/zinc/20/60/71/608206071.db2.gz JJIXNRWKGBPUJZ-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(c1ccccc1NCc1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474277 608206072 /nfs/dbraw/zinc/20/60/72/608206072.db2.gz JJIXNRWKGBPUJZ-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM COc1ccc(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c(OC)c1 ZINC000826187589 608206209 /nfs/dbraw/zinc/20/62/09/608206209.db2.gz XJQOJBDQTQEMRG-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM COc1ccc(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c(OC)c1 ZINC000826187589 608206212 /nfs/dbraw/zinc/20/62/12/608206212.db2.gz XJQOJBDQTQEMRG-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC12CCC2 ZINC000824947469 608207039 /nfs/dbraw/zinc/20/70/39/608207039.db2.gz NUTDKURBOGFGLN-LLVKDONJSA-N -1 3 392.410 3.512 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC12CCC2 ZINC000824947469 608207041 /nfs/dbraw/zinc/20/70/41/608207041.db2.gz NUTDKURBOGFGLN-LLVKDONJSA-N -1 3 392.410 3.512 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656087 608221535 /nfs/dbraw/zinc/22/15/35/608221535.db2.gz HMOUKDXOVGJNCD-CYBMUJFWSA-N -1 3 399.458 3.937 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824656087 608221536 /nfs/dbraw/zinc/22/15/36/608221536.db2.gz HMOUKDXOVGJNCD-CYBMUJFWSA-N -1 3 399.458 3.937 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826520378 608226206 /nfs/dbraw/zinc/22/62/06/608226206.db2.gz ICEVIAUSGDCGIL-RXVVDRJESA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826520378 608226207 /nfs/dbraw/zinc/22/62/07/608226207.db2.gz ICEVIAUSGDCGIL-RXVVDRJESA-N -1 3 386.459 3.995 20 0 GHADHM O=C(CSCc1cccc(F)c1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826420231 608240219 /nfs/dbraw/zinc/24/02/19/608240219.db2.gz DHRIUWVQNYJIQH-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1cccc(F)c1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826420231 608240220 /nfs/dbraw/zinc/24/02/20/608240220.db2.gz DHRIUWVQNYJIQH-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000824324320 608244371 /nfs/dbraw/zinc/24/43/71/608244371.db2.gz KXJIFHSSXZATGM-IBGZPJMESA-N -1 3 377.448 3.786 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000824324320 608244372 /nfs/dbraw/zinc/24/43/72/608244372.db2.gz KXJIFHSSXZATGM-IBGZPJMESA-N -1 3 377.448 3.786 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825194211 608260299 /nfs/dbraw/zinc/26/02/99/608260299.db2.gz PNHCVTWEVLFNRB-CZUORRHYSA-N -1 3 393.451 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2cccc(C)c2)o1 ZINC000826173415 608260536 /nfs/dbraw/zinc/26/05/36/608260536.db2.gz CQGDITWDKSTOHV-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2cccc(C)c2)o1 ZINC000826173415 608260537 /nfs/dbraw/zinc/26/05/37/608260537.db2.gz CQGDITWDKSTOHV-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H](c1ccccc1)C1CC1 ZINC000826460747 608265157 /nfs/dbraw/zinc/26/51/57/608265157.db2.gz QLWRBPGZMWHVJI-INIZCTEOSA-N -1 3 379.489 3.939 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H](c1ccccc1)C1CC1 ZINC000826460747 608265158 /nfs/dbraw/zinc/26/51/58/608265158.db2.gz QLWRBPGZMWHVJI-INIZCTEOSA-N -1 3 379.489 3.939 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928114 608268972 /nfs/dbraw/zinc/26/89/72/608268972.db2.gz RDPWSOOBPIQLOU-YLJYHZDGSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928114 608268974 /nfs/dbraw/zinc/26/89/74/608268974.db2.gz RDPWSOOBPIQLOU-YLJYHZDGSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928112 608269226 /nfs/dbraw/zinc/26/92/26/608269226.db2.gz RDPWSOOBPIQLOU-PXNSSMCTSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928112 608269229 /nfs/dbraw/zinc/26/92/29/608269229.db2.gz RDPWSOOBPIQLOU-PXNSSMCTSA-N -1 3 399.539 3.981 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826352749 608296163 /nfs/dbraw/zinc/29/61/63/608296163.db2.gz MRIMSJNPHNRLBQ-UONOGXRCSA-N -1 3 398.898 3.711 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826352749 608296165 /nfs/dbraw/zinc/29/61/65/608296165.db2.gz MRIMSJNPHNRLBQ-UONOGXRCSA-N -1 3 398.898 3.711 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(F)c1F ZINC000824507721 608310530 /nfs/dbraw/zinc/31/05/30/608310530.db2.gz XUMGYADKEUJIQJ-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(F)c1F ZINC000824507721 608310532 /nfs/dbraw/zinc/31/05/32/608310532.db2.gz XUMGYADKEUJIQJ-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824521276 608314604 /nfs/dbraw/zinc/31/46/04/608314604.db2.gz JLNRPJRRASDCKC-NXEZZACHSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824521276 608314606 /nfs/dbraw/zinc/31/46/06/608314606.db2.gz JLNRPJRRASDCKC-NXEZZACHSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721747 608317484 /nfs/dbraw/zinc/31/74/84/608317484.db2.gz DDEZZZFKNGLKNZ-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721747 608317486 /nfs/dbraw/zinc/31/74/86/608317486.db2.gz DDEZZZFKNGLKNZ-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM COCc1ccccc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826164601 608330090 /nfs/dbraw/zinc/33/00/90/608330090.db2.gz ILFQCSQVTZIIGO-UHFFFAOYSA-N -1 3 399.454 3.610 20 0 GHADHM COCc1ccccc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826164601 608330092 /nfs/dbraw/zinc/33/00/92/608330092.db2.gz ILFQCSQVTZIIGO-UHFFFAOYSA-N -1 3 399.454 3.610 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825120018 608335811 /nfs/dbraw/zinc/33/58/11/608335811.db2.gz HKMKVYCOKGNQPN-MRXNPFEDSA-N -1 3 397.504 3.873 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825120018 608335812 /nfs/dbraw/zinc/33/58/12/608335812.db2.gz HKMKVYCOKGNQPN-MRXNPFEDSA-N -1 3 397.504 3.873 20 0 GHADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826453398 608338445 /nfs/dbraw/zinc/33/84/45/608338445.db2.gz JLMPUQCNTPSLBQ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826453398 608338447 /nfs/dbraw/zinc/33/84/47/608338447.db2.gz JLMPUQCNTPSLBQ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367911 608344766 /nfs/dbraw/zinc/34/47/66/608344766.db2.gz XHEOFQNHIPVTID-QGZVFWFLSA-N -1 3 399.907 3.904 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367911 608344768 /nfs/dbraw/zinc/34/47/68/608344768.db2.gz XHEOFQNHIPVTID-QGZVFWFLSA-N -1 3 399.907 3.904 20 0 GHADHM CCN(C(=O)c1ccc(F)c(F)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386137 608345613 /nfs/dbraw/zinc/34/56/13/608345613.db2.gz YYOWJERMYAAVEF-UHFFFAOYSA-N -1 3 381.745 3.604 20 0 GHADHM CCN(C(=O)c1ccc(F)c(F)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386137 608345615 /nfs/dbraw/zinc/34/56/15/608345615.db2.gz YYOWJERMYAAVEF-UHFFFAOYSA-N -1 3 381.745 3.604 20 0 GHADHM CCc1nc(C)c(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825746446 608346379 /nfs/dbraw/zinc/34/63/79/608346379.db2.gz UXQJVURBIWUZEW-UHFFFAOYSA-N -1 3 376.873 3.514 20 0 GHADHM CCc1nc(C)c(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825746446 608346380 /nfs/dbraw/zinc/34/63/80/608346380.db2.gz UXQJVURBIWUZEW-UHFFFAOYSA-N -1 3 376.873 3.514 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000826169572 608353676 /nfs/dbraw/zinc/35/36/76/608353676.db2.gz XCONVJZDLKDPRF-INIZCTEOSA-N -1 3 392.488 3.822 20 0 GHADHM CC(C)(NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824165878 608355608 /nfs/dbraw/zinc/35/56/08/608355608.db2.gz BVKDFLAYAZWGMV-UHFFFAOYSA-N -1 3 376.464 3.522 20 0 GHADHM CC(C)(NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824165878 608355610 /nfs/dbraw/zinc/35/56/10/608355610.db2.gz BVKDFLAYAZWGMV-UHFFFAOYSA-N -1 3 376.464 3.522 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826169109 608374269 /nfs/dbraw/zinc/37/42/69/608374269.db2.gz INEBUWNPHAASDL-QGZVFWFLSA-N -1 3 390.447 3.744 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826355293 608406912 /nfs/dbraw/zinc/40/69/12/608406912.db2.gz SCYKOSLEFUHUAO-GOSISDBHSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826355293 608406913 /nfs/dbraw/zinc/40/69/13/608406913.db2.gz SCYKOSLEFUHUAO-GOSISDBHSA-N -1 3 391.454 3.620 20 0 GHADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Br ZINC000824617728 608424489 /nfs/dbraw/zinc/42/44/89/608424489.db2.gz JVKAXBXMESEXTL-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Br ZINC000824617728 608424491 /nfs/dbraw/zinc/42/44/91/608424491.db2.gz JVKAXBXMESEXTL-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1csc(-c2ccc(F)cc2)n1 ZINC000826466879 608440914 /nfs/dbraw/zinc/44/09/14/608440914.db2.gz WWZFMNPOPJIYQU-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1csc(-c2ccc(F)cc2)n1 ZINC000826466879 608440916 /nfs/dbraw/zinc/44/09/16/608440916.db2.gz WWZFMNPOPJIYQU-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM CCN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371783 608445740 /nfs/dbraw/zinc/44/57/40/608445740.db2.gz LMTSNVQXOCHGQB-AWEZNQCLSA-N -1 3 395.438 3.578 20 0 GHADHM CCN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371783 608445742 /nfs/dbraw/zinc/44/57/42/608445742.db2.gz LMTSNVQXOCHGQB-AWEZNQCLSA-N -1 3 395.438 3.578 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000825958255 608458807 /nfs/dbraw/zinc/45/88/07/608458807.db2.gz PHIUZSGAEJDIEZ-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000825958255 608458808 /nfs/dbraw/zinc/45/88/08/608458808.db2.gz PHIUZSGAEJDIEZ-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM C[C@@H](NCc1csc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626072 608460962 /nfs/dbraw/zinc/46/09/62/608460962.db2.gz LRSFUYRGIPSNGH-CQSZACIVSA-N -1 3 376.489 3.765 20 0 GHADHM O=C(Nc1cc(F)ccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826451821 608471440 /nfs/dbraw/zinc/47/14/40/608471440.db2.gz XMVFYPHDVVFORG-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1cc(F)ccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826451821 608471441 /nfs/dbraw/zinc/47/14/41/608471441.db2.gz XMVFYPHDVVFORG-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(C=Cc1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826402607 608485382 /nfs/dbraw/zinc/48/53/82/608485382.db2.gz YADIQTIAPWXIIY-MDZDMXLPSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826402607 608485384 /nfs/dbraw/zinc/48/53/84/608485384.db2.gz YADIQTIAPWXIIY-MDZDMXLPSA-N -1 3 391.862 3.849 20 0 GHADHM Fc1c(CN[C@@H](COc2ccccc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370638 608515111 /nfs/dbraw/zinc/51/51/11/608515111.db2.gz BMMJRHGDFAVYDM-FQEVSTJZSA-N -1 3 389.434 3.916 20 0 GHADHM CC(C)N(Cc1nc2ccc(Cl)cc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824292878 608531714 /nfs/dbraw/zinc/53/17/14/608531714.db2.gz CBERPYMLTDJHOH-UHFFFAOYSA-N -1 3 395.898 3.817 20 0 GHADHM CC(C)(NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(Cl)c1 ZINC000824167800 608534903 /nfs/dbraw/zinc/53/49/03/608534903.db2.gz VTVMSBURKPTYND-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM CC(C)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(Cl)c1 ZINC000824167800 608534905 /nfs/dbraw/zinc/53/49/05/608534905.db2.gz VTVMSBURKPTYND-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c2n1 ZINC000826295091 608539842 /nfs/dbraw/zinc/53/98/42/608539842.db2.gz QRPPZUMQCNSCRK-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c2n1 ZINC000826295091 608539844 /nfs/dbraw/zinc/53/98/44/608539844.db2.gz QRPPZUMQCNSCRK-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824874530 608545477 /nfs/dbraw/zinc/54/54/77/608545477.db2.gz DKXNAAPRKDRVDP-ZFWWWQNUSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824874530 608545479 /nfs/dbraw/zinc/54/54/79/608545479.db2.gz DKXNAAPRKDRVDP-ZFWWWQNUSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000824520794 608574712 /nfs/dbraw/zinc/57/47/12/608574712.db2.gz FIXOSJQUHDORBS-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824520794 608574714 /nfs/dbraw/zinc/57/47/14/608574714.db2.gz FIXOSJQUHDORBS-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459888 608576419 /nfs/dbraw/zinc/57/64/19/608576419.db2.gz DKTOGQWLODELMS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459888 608576420 /nfs/dbraw/zinc/57/64/20/608576420.db2.gz DKTOGQWLODELMS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826455569 608606601 /nfs/dbraw/zinc/60/66/01/608606601.db2.gz UUGTVFGYLIUYPD-UHFFFAOYSA-N -1 3 398.426 3.893 20 0 GHADHM Cc1n[nH]c(C)c1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826321749 608612533 /nfs/dbraw/zinc/61/25/33/608612533.db2.gz OEVZNWRCSPCPJS-UHFFFAOYSA-N -1 3 391.454 3.548 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826305953 608633284 /nfs/dbraw/zinc/63/32/84/608633284.db2.gz MTEAWKODXOLAQL-UHFFFAOYSA-N -1 3 393.520 3.671 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000826305953 608633285 /nfs/dbraw/zinc/63/32/85/608633285.db2.gz MTEAWKODXOLAQL-UHFFFAOYSA-N -1 3 393.520 3.671 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1-c1nnn[n-]1 ZINC000825687346 608666874 /nfs/dbraw/zinc/66/68/74/608666874.db2.gz HIJOOXFPPXBYDB-UHFFFAOYSA-N -1 3 399.524 3.781 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1-c1nn[n-]n1 ZINC000825687346 608666876 /nfs/dbraw/zinc/66/68/76/608666876.db2.gz HIJOOXFPPXBYDB-UHFFFAOYSA-N -1 3 399.524 3.781 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000824813276 608696931 /nfs/dbraw/zinc/69/69/31/608696931.db2.gz XEWDMYPTXOEOGB-MRXNPFEDSA-N -1 3 389.912 3.934 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000824813276 608696934 /nfs/dbraw/zinc/69/69/34/608696934.db2.gz XEWDMYPTXOEOGB-MRXNPFEDSA-N -1 3 389.912 3.934 20 0 GHADHM Cc1nnc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826335883 608799654 /nfs/dbraw/zinc/79/96/54/608799654.db2.gz FULGLEZUWPGUAX-OAHLLOKOSA-N -1 3 389.385 3.856 20 0 GHADHM Cc1nnc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826335883 608799655 /nfs/dbraw/zinc/79/96/55/608799655.db2.gz FULGLEZUWPGUAX-OAHLLOKOSA-N -1 3 389.385 3.856 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721706 609144033 /nfs/dbraw/zinc/14/40/33/609144033.db2.gz CSOOBCAKYDPRSK-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721706 609144036 /nfs/dbraw/zinc/14/40/36/609144036.db2.gz CSOOBCAKYDPRSK-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826234231 609166130 /nfs/dbraw/zinc/16/61/30/609166130.db2.gz NEHNLECTDNBSGP-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826234231 609166132 /nfs/dbraw/zinc/16/61/32/609166132.db2.gz NEHNLECTDNBSGP-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2cccs2)c1-c1nnn[n-]1 ZINC000826233333 609167420 /nfs/dbraw/zinc/16/74/20/609167420.db2.gz CRVDWLLGVGFAGQ-UHFFFAOYSA-N -1 3 378.461 3.517 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2cccs2)c1-c1nn[n-]n1 ZINC000826233333 609167422 /nfs/dbraw/zinc/16/74/22/609167422.db2.gz CRVDWLLGVGFAGQ-UHFFFAOYSA-N -1 3 378.461 3.517 20 0 GHADHM CC(C)C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824242767 609170655 /nfs/dbraw/zinc/17/06/55/609170655.db2.gz BHQVZZHGDHYDBQ-CHWSQXEVSA-N -1 3 380.290 3.635 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000825481352 609179467 /nfs/dbraw/zinc/17/94/67/609179467.db2.gz XOZOYLDFDUWZAZ-UHFFFAOYSA-N -1 3 396.842 3.614 20 0 GHADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477825 609179559 /nfs/dbraw/zinc/17/95/59/609179559.db2.gz MJOQUGHOJJDHRF-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477825 609179560 /nfs/dbraw/zinc/17/95/60/609179560.db2.gz MJOQUGHOJJDHRF-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1(c2ccc(F)cc2F)CCC1 ZINC000826452974 609238283 /nfs/dbraw/zinc/23/82/83/609238283.db2.gz QBLLJENPZPVWFZ-UHFFFAOYSA-N -1 3 389.793 3.859 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1(c2ccc(F)cc2F)CCC1 ZINC000826452974 609238285 /nfs/dbraw/zinc/23/82/85/609238285.db2.gz QBLLJENPZPVWFZ-UHFFFAOYSA-N -1 3 389.793 3.859 20 0 GHADHM CCc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000825704194 609242313 /nfs/dbraw/zinc/24/23/13/609242313.db2.gz DFTCWMARUCXSPE-HNNXBMFYSA-N -1 3 392.507 3.563 20 0 GHADHM CCc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000825704194 609242314 /nfs/dbraw/zinc/24/23/14/609242314.db2.gz DFTCWMARUCXSPE-HNNXBMFYSA-N -1 3 392.507 3.563 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000826375682 609266342 /nfs/dbraw/zinc/26/63/42/609266342.db2.gz YARQDMABGYFSEB-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000826375682 609266344 /nfs/dbraw/zinc/26/63/44/609266344.db2.gz YARQDMABGYFSEB-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234913 609276612 /nfs/dbraw/zinc/27/66/12/609276612.db2.gz TYZQHRJHCVNRQW-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234913 609276613 /nfs/dbraw/zinc/27/66/13/609276613.db2.gz TYZQHRJHCVNRQW-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM COCCOc1ccc(F)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826162451 609276981 /nfs/dbraw/zinc/27/69/81/609276981.db2.gz CNZUVEYNVIYQEN-KRWDZBQOSA-N -1 3 383.427 3.521 20 0 GHADHM COCCOc1ccc(F)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826162451 609276982 /nfs/dbraw/zinc/27/69/82/609276982.db2.gz CNZUVEYNVIYQEN-KRWDZBQOSA-N -1 3 383.427 3.521 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656749 609279320 /nfs/dbraw/zinc/27/93/20/609279320.db2.gz MEYBEABWFSSNHR-SNVBAGLBSA-N -1 3 396.348 3.714 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656749 609279322 /nfs/dbraw/zinc/27/93/22/609279322.db2.gz MEYBEABWFSSNHR-SNVBAGLBSA-N -1 3 396.348 3.714 20 0 GHADHM Cc1cnn(-c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2F)c1 ZINC000826319817 609280571 /nfs/dbraw/zinc/28/05/71/609280571.db2.gz UOFVIFBRXFKWLC-GFCCVEGCSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1cnn(-c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2F)c1 ZINC000826319817 609280574 /nfs/dbraw/zinc/28/05/74/609280574.db2.gz UOFVIFBRXFKWLC-GFCCVEGCSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@]1(C)CCCOC1 ZINC000826271711 609281334 /nfs/dbraw/zinc/28/13/34/609281334.db2.gz DMMMOSKEDLCPME-OAQYLSRUSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@]1(C)CCCOC1 ZINC000826271711 609281336 /nfs/dbraw/zinc/28/13/36/609281336.db2.gz DMMMOSKEDLCPME-OAQYLSRUSA-N -1 3 393.447 3.723 20 0 GHADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459244 609292695 /nfs/dbraw/zinc/29/26/95/609292695.db2.gz BFRUZLCUAWPGDG-UHFFFAOYSA-N -1 3 398.835 3.602 20 0 GHADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459244 609292696 /nfs/dbraw/zinc/29/26/96/609292696.db2.gz BFRUZLCUAWPGDG-UHFFFAOYSA-N -1 3 398.835 3.602 20 0 GHADHM Cc1ccccc1-c1cnc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000826305030 609305853 /nfs/dbraw/zinc/30/58/53/609305853.db2.gz HQFHIGGVRAVQBP-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM Cc1ccccc1-c1cnc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000826305030 609305855 /nfs/dbraw/zinc/30/58/55/609305855.db2.gz HQFHIGGVRAVQBP-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM O=C(NCCc1cccs1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826439902 609306400 /nfs/dbraw/zinc/30/64/00/609306400.db2.gz PTPOXPOALJHOFF-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(NCCc1cccs1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826439902 609306402 /nfs/dbraw/zinc/30/64/02/609306402.db2.gz PTPOXPOALJHOFF-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(NCCc1ccsc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826439733 609313596 /nfs/dbraw/zinc/31/35/96/609313596.db2.gz HUHKWQHCTDZIEX-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(NCCc1ccsc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826439733 609313598 /nfs/dbraw/zinc/31/35/98/609313598.db2.gz HUHKWQHCTDZIEX-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCC2(CC2)CC1 ZINC000826474620 609318163 /nfs/dbraw/zinc/31/81/63/609318163.db2.gz YBCWNBKONVEAMA-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCC2(CC2)CC1 ZINC000826474620 609318165 /nfs/dbraw/zinc/31/81/65/609318165.db2.gz YBCWNBKONVEAMA-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM CCOc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825659655 609325337 /nfs/dbraw/zinc/32/53/37/609325337.db2.gz YCVXSRZXYFKPMM-UHFFFAOYSA-N -1 3 375.226 3.607 20 0 GHADHM CCOc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825659655 609325339 /nfs/dbraw/zinc/32/53/39/609325339.db2.gz YCVXSRZXYFKPMM-UHFFFAOYSA-N -1 3 375.226 3.607 20 0 GHADHM Cc1ccncc1COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826315245 609329671 /nfs/dbraw/zinc/32/96/71/609329671.db2.gz DFJBDUHXNCBPEW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccncc1COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826315245 609329673 /nfs/dbraw/zinc/32/96/73/609329673.db2.gz DFJBDUHXNCBPEW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H](F)Cc1ccccc1 ZINC000826459601 609333296 /nfs/dbraw/zinc/33/32/96/609333296.db2.gz QJVRJJPNPDVOJH-HNNXBMFYSA-N -1 3 394.435 3.510 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H](F)Cc1ccccc1 ZINC000826459601 609333297 /nfs/dbraw/zinc/33/32/97/609333297.db2.gz QJVRJJPNPDVOJH-HNNXBMFYSA-N -1 3 394.435 3.510 20 0 GHADHM O=C(Nc1ncccc1Cl)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826460711 609334788 /nfs/dbraw/zinc/33/47/88/609334788.db2.gz ONZIFTRPFMDWJY-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000826455897 609337853 /nfs/dbraw/zinc/33/78/53/609337853.db2.gz ILELYKPTXIINDG-OAHLLOKOSA-N -1 3 390.369 3.552 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000826455897 609337855 /nfs/dbraw/zinc/33/78/55/609337855.db2.gz ILELYKPTXIINDG-OAHLLOKOSA-N -1 3 390.369 3.552 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824655915 609349110 /nfs/dbraw/zinc/34/91/10/609349110.db2.gz GTMQACQZBHXSCR-QTJFZDIUSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824655915 609349112 /nfs/dbraw/zinc/34/91/12/609349112.db2.gz GTMQACQZBHXSCR-QTJFZDIUSA-N -1 3 397.454 3.861 20 0 GHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826426571 609350408 /nfs/dbraw/zinc/35/04/08/609350408.db2.gz QLCWDLIUCZQDBI-QGZVFWFLSA-N -1 3 383.402 3.806 20 0 GHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826426571 609350410 /nfs/dbraw/zinc/35/04/10/609350410.db2.gz QLCWDLIUCZQDBI-QGZVFWFLSA-N -1 3 383.402 3.806 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000824723790 609351506 /nfs/dbraw/zinc/35/15/06/609351506.db2.gz UKLHZCKBFGBYPN-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000824723790 609351507 /nfs/dbraw/zinc/35/15/07/609351507.db2.gz UKLHZCKBFGBYPN-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc(F)cc1F ZINC000824613548 609367848 /nfs/dbraw/zinc/36/78/48/609367848.db2.gz UWMPJPBCKGQUKO-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(F)cc1F ZINC000824613548 609367851 /nfs/dbraw/zinc/36/78/51/609367851.db2.gz UWMPJPBCKGQUKO-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000824215859 609389526 /nfs/dbraw/zinc/38/95/26/609389526.db2.gz NCOIURWOEGBBJB-XHDPSFHLSA-N -1 3 397.401 3.665 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000824215859 609389529 /nfs/dbraw/zinc/38/95/29/609389529.db2.gz NCOIURWOEGBBJB-XHDPSFHLSA-N -1 3 397.401 3.665 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273722 609393538 /nfs/dbraw/zinc/39/35/38/609393538.db2.gz QZTVEQVTDKFKBA-GFCCVEGCSA-N -1 3 379.445 3.988 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273722 609393542 /nfs/dbraw/zinc/39/35/42/609393542.db2.gz QZTVEQVTDKFKBA-GFCCVEGCSA-N -1 3 379.445 3.988 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1-c1nnn[n-]1 ZINC000826231234 609397891 /nfs/dbraw/zinc/39/78/91/609397891.db2.gz CNUMUEIKHOCREL-YUNKPMOVSA-N -1 3 398.536 3.513 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@@H]1F ZINC000824956959 609398406 /nfs/dbraw/zinc/39/84/06/609398406.db2.gz UWYAMYGIQTWWSO-CJNGLKHVSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@@H]1F ZINC000824956959 609398409 /nfs/dbraw/zinc/39/84/09/609398409.db2.gz UWYAMYGIQTWWSO-CJNGLKHVSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)C1 ZINC000824914936 609405233 /nfs/dbraw/zinc/40/52/33/609405233.db2.gz AHEKKBSBHNZLLW-DIFFPNOSSA-N -1 3 394.401 3.930 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)C1 ZINC000824914936 609405234 /nfs/dbraw/zinc/40/52/34/609405234.db2.gz AHEKKBSBHNZLLW-DIFFPNOSSA-N -1 3 394.401 3.930 20 0 GHADHM O=C1[C@H](Nc2ccc3ccccc3c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477902 609412269 /nfs/dbraw/zinc/41/22/69/609412269.db2.gz PBNQESDQSXHCOV-HXUWFJFHSA-N -1 3 384.443 3.627 20 0 GHADHM O=C1[C@H](Nc2ccc3ccccc3c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477902 609412270 /nfs/dbraw/zinc/41/22/70/609412270.db2.gz PBNQESDQSXHCOV-HXUWFJFHSA-N -1 3 384.443 3.627 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522090 609424478 /nfs/dbraw/zinc/42/44/78/609424478.db2.gz PYFNREFNUJDJMR-GFCCVEGCSA-N -1 3 382.493 3.643 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522090 609424480 /nfs/dbraw/zinc/42/44/80/609424480.db2.gz PYFNREFNUJDJMR-GFCCVEGCSA-N -1 3 382.493 3.643 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825361198 609444214 /nfs/dbraw/zinc/44/42/14/609444214.db2.gz CYPUSMZWFHSIPE-SJORKVTESA-N -1 3 377.492 3.963 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825361198 609444215 /nfs/dbraw/zinc/44/42/15/609444215.db2.gz CYPUSMZWFHSIPE-SJORKVTESA-N -1 3 377.492 3.963 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825276152 609452428 /nfs/dbraw/zinc/45/24/28/609452428.db2.gz RIEGIYDVAUWHCE-SNVBAGLBSA-N -1 3 387.431 3.673 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825276152 609452431 /nfs/dbraw/zinc/45/24/31/609452431.db2.gz RIEGIYDVAUWHCE-SNVBAGLBSA-N -1 3 387.431 3.673 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000826286967 609454323 /nfs/dbraw/zinc/45/43/23/609454323.db2.gz XHRHSLYRWYYQAT-LBPRGKRZSA-N -1 3 387.390 3.594 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000826286967 609454324 /nfs/dbraw/zinc/45/43/24/609454324.db2.gz XHRHSLYRWYYQAT-LBPRGKRZSA-N -1 3 387.390 3.594 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826250266 609458667 /nfs/dbraw/zinc/45/86/67/609458667.db2.gz SCTUFGXGNSBVDY-UHFFFAOYSA-N -1 3 398.417 3.696 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826250266 609458669 /nfs/dbraw/zinc/45/86/69/609458669.db2.gz SCTUFGXGNSBVDY-UHFFFAOYSA-N -1 3 398.417 3.696 20 0 GHADHM Cc1[nH]c2ccccc2c1C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826233496 609464367 /nfs/dbraw/zinc/46/43/67/609464367.db2.gz JTYWIQIYZFPSTE-UHFFFAOYSA-N -1 3 398.474 3.688 20 0 GHADHM Cc1[nH]c2ccccc2c1C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826233496 609464369 /nfs/dbraw/zinc/46/43/69/609464369.db2.gz JTYWIQIYZFPSTE-UHFFFAOYSA-N -1 3 398.474 3.688 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000824359612 609473945 /nfs/dbraw/zinc/47/39/45/609473945.db2.gz YEEFARYQFSVROZ-HNNXBMFYSA-N -1 3 396.455 3.522 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000824359612 609473946 /nfs/dbraw/zinc/47/39/46/609473946.db2.gz YEEFARYQFSVROZ-HNNXBMFYSA-N -1 3 396.455 3.522 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(OC)c1Cl ZINC000825632378 609477545 /nfs/dbraw/zinc/47/75/45/609477545.db2.gz PWQDBTAUAKUWKX-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(OC)c1Cl ZINC000825632378 609477547 /nfs/dbraw/zinc/47/75/47/609477547.db2.gz PWQDBTAUAKUWKX-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM Clc1cc(NCc2cncnc2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350794 609484351 /nfs/dbraw/zinc/48/43/51/609484351.db2.gz LKJDRFHYBSQLPD-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM Clc1cc(NCc2cncnc2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350794 609484353 /nfs/dbraw/zinc/48/43/53/609484353.db2.gz LKJDRFHYBSQLPD-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824010393 609484896 /nfs/dbraw/zinc/48/48/96/609484896.db2.gz LTVYJUKTVCVKJP-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824010393 609484900 /nfs/dbraw/zinc/48/49/00/609484900.db2.gz LTVYJUKTVCVKJP-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000826117555 609487326 /nfs/dbraw/zinc/48/73/26/609487326.db2.gz NFDZVSFOJYPSOO-AWEZNQCLSA-N -1 3 396.806 3.805 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000826117555 609487329 /nfs/dbraw/zinc/48/73/29/609487329.db2.gz NFDZVSFOJYPSOO-AWEZNQCLSA-N -1 3 396.806 3.805 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccnc3ccccc23)cc1-c1nnn[n-]1 ZINC000825553023 609490814 /nfs/dbraw/zinc/49/08/14/609490814.db2.gz IFDQLVMXANBIPB-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccnc3ccccc23)cc1-c1nn[n-]n1 ZINC000825553023 609490816 /nfs/dbraw/zinc/49/08/16/609490816.db2.gz IFDQLVMXANBIPB-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826289163 609506847 /nfs/dbraw/zinc/50/68/47/609506847.db2.gz MXTMCVQFNAMUFI-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826289163 609506849 /nfs/dbraw/zinc/50/68/49/609506849.db2.gz MXTMCVQFNAMUFI-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826238417 609530542 /nfs/dbraw/zinc/53/05/42/609530542.db2.gz FYAUVVKWEQISPV-LLVKDONJSA-N -1 3 397.870 3.745 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826238417 609530544 /nfs/dbraw/zinc/53/05/44/609530544.db2.gz FYAUVVKWEQISPV-LLVKDONJSA-N -1 3 397.870 3.745 20 0 GHADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825076942 609533884 /nfs/dbraw/zinc/53/38/84/609533884.db2.gz ZDTATFJXVWEQEC-LLVKDONJSA-N -1 3 392.868 3.801 20 0 GHADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825076942 609533886 /nfs/dbraw/zinc/53/38/86/609533886.db2.gz ZDTATFJXVWEQEC-LLVKDONJSA-N -1 3 392.868 3.801 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(NC(=O)CC(C)C)c2)c1-c1nnn[n-]1 ZINC000826240136 609541445 /nfs/dbraw/zinc/54/14/45/609541445.db2.gz DRFBMWKOISLLTF-UHFFFAOYSA-N -1 3 399.886 3.820 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(NC(=O)CC(C)C)c2)c1-c1nn[n-]n1 ZINC000826240136 609541446 /nfs/dbraw/zinc/54/14/46/609541446.db2.gz DRFBMWKOISLLTF-UHFFFAOYSA-N -1 3 399.886 3.820 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826239608 609551171 /nfs/dbraw/zinc/55/11/71/609551171.db2.gz LLLQPCFTZBPXBF-LBPRGKRZSA-N -1 3 399.669 3.676 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826239608 609551174 /nfs/dbraw/zinc/55/11/74/609551174.db2.gz LLLQPCFTZBPXBF-LBPRGKRZSA-N -1 3 399.669 3.676 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825183389 609553213 /nfs/dbraw/zinc/55/32/13/609553213.db2.gz OLEWEAOVSWNQRD-DOTOQJQBSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825183389 609553215 /nfs/dbraw/zinc/55/32/15/609553215.db2.gz OLEWEAOVSWNQRD-DOTOQJQBSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1c(Cl)cnc(NC2CCC(C(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826239136 609584585 /nfs/dbraw/zinc/58/45/85/609584585.db2.gz YRJZSKDOXIXQNU-UHFFFAOYSA-N -1 3 392.891 3.536 20 0 GHADHM Cc1c(Cl)cnc(NC2CCC(C(=O)OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826239136 609584587 /nfs/dbraw/zinc/58/45/87/609584587.db2.gz YRJZSKDOXIXQNU-UHFFFAOYSA-N -1 3 392.891 3.536 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824492475 609605700 /nfs/dbraw/zinc/60/57/00/609605700.db2.gz ZJUAZQJLSAQYJZ-ADNMANBNSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824492475 609605702 /nfs/dbraw/zinc/60/57/02/609605702.db2.gz ZJUAZQJLSAQYJZ-ADNMANBNSA-N -1 3 388.475 3.815 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1SCCc2sccc21 ZINC000826465471 609615142 /nfs/dbraw/zinc/61/51/42/609615142.db2.gz OLDSSSRCZXGTPZ-CQSZACIVSA-N -1 3 392.893 3.655 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1SCCc2sccc21 ZINC000826465471 609615143 /nfs/dbraw/zinc/61/51/43/609615143.db2.gz OLDSSSRCZXGTPZ-CQSZACIVSA-N -1 3 392.893 3.655 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1sccc1Br ZINC000826465639 609619837 /nfs/dbraw/zinc/61/98/37/609619837.db2.gz VNEYNENRZHJING-UHFFFAOYSA-N -1 3 399.657 3.701 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1sccc1Br ZINC000826465639 609619839 /nfs/dbraw/zinc/61/98/39/609619839.db2.gz VNEYNENRZHJING-UHFFFAOYSA-N -1 3 399.657 3.701 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000173252011 837612085 /nfs/dbraw/zinc/61/20/85/837612085.db2.gz YHQIMGZKPAKTCU-LLVKDONJSA-N -1 3 383.835 3.981 20 0 GHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccnc1 ZINC000177023608 837720830 /nfs/dbraw/zinc/72/08/30/837720830.db2.gz WKBRNKWWZREJGJ-LBPRGKRZSA-N -1 3 389.340 3.624 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000547617640 834376296 /nfs/dbraw/zinc/37/62/96/834376296.db2.gz VFZCJWVQTUHUEF-AHRSYUTCSA-N -1 3 389.455 3.760 20 0 GHADHM CN1CCN(Cc2cccc(Nc3ccc(C(=O)[O-])c(C(F)(F)F)c3)c2)CC1 ZINC001211487747 834392951 /nfs/dbraw/zinc/39/29/51/834392951.db2.gz MMPYXMASRSWPPJ-UHFFFAOYSA-N -1 3 393.409 3.895 20 0 GHADHM Cc1nc(NC(=O)c2ccc(C)cc2[O-])sc1C1N=NC(=S)N1C1CC1 ZINC000120094560 834462442 /nfs/dbraw/zinc/46/24/42/834462442.db2.gz ZYCZTJRMEDSDDV-UHFFFAOYSA-N -1 3 387.490 3.600 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC[C@H]1c1ncon1 ZINC000094161004 834728590 /nfs/dbraw/zinc/72/85/90/834728590.db2.gz OLNCVIDFDIVCJY-IBGZPJMESA-N -1 3 377.444 3.928 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000471118588 834756088 /nfs/dbraw/zinc/75/60/88/834756088.db2.gz HSTOPDQCCWYFTC-UHFFFAOYSA-N -1 3 380.370 3.728 20 0 GHADHM Cc1cc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1-c1ccccc1 ZINC000430175726 834769275 /nfs/dbraw/zinc/76/92/75/834769275.db2.gz IBFPAAZLIVMMQT-UHFFFAOYSA-N -1 3 389.381 3.798 20 0 GHADHM O=C(CC(F)(F)F)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000579795539 834770667 /nfs/dbraw/zinc/77/06/67/834770667.db2.gz WXRNKNBIAPNXIT-UHFFFAOYSA-N -1 3 382.567 3.805 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Oc3cnccn3)cc2)cc1 ZINC000683170909 834905443 /nfs/dbraw/zinc/90/54/43/834905443.db2.gz BVWGLLPZKVSSII-IBGZPJMESA-N -1 3 379.416 3.583 20 0 GHADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OCc1c(C)noc1C ZINC000683176734 834932052 /nfs/dbraw/zinc/93/20/52/834932052.db2.gz PROMEPAWPWIJJW-UHFFFAOYSA-N -1 3 396.443 3.867 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000536127438 835035790 /nfs/dbraw/zinc/03/57/90/835035790.db2.gz OWOFUTRJYCRADN-MGPLVRAMSA-N -1 3 375.824 3.673 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]2CCC[C@@H]21 ZINC000583832370 835107815 /nfs/dbraw/zinc/10/78/15/835107815.db2.gz AECHBPAIXUAKDJ-XJKSGUPXSA-N -1 3 389.293 3.941 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C)(C3CC3)CC2)cc1OC ZINC000685628531 835236967 /nfs/dbraw/zinc/23/69/67/835236967.db2.gz WWZXYKFVYDFKSG-UHFFFAOYSA-N -1 3 395.525 3.501 20 0 GHADHM COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(C)=O)c3[O-])o2)cc1 ZINC000583950712 835284309 /nfs/dbraw/zinc/28/43/09/835284309.db2.gz QYNPBGYLYWNWLH-UHFFFAOYSA-N -1 3 380.400 3.830 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525677746 835300333 /nfs/dbraw/zinc/30/03/33/835300333.db2.gz MXFWYFCQZISMFG-OUCADQQQSA-N -1 3 389.293 3.989 20 0 GHADHM O=C(CCc1cnc2ccccc2c1)NCc1ccc([O-])c(Br)c1 ZINC000472359704 835495779 /nfs/dbraw/zinc/49/57/79/835495779.db2.gz MNMOCPFOERSEMA-UHFFFAOYSA-N -1 3 385.261 3.952 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000157721750 835523896 /nfs/dbraw/zinc/52/38/96/835523896.db2.gz MCIOXDPJVDIILY-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM Cc1ccc(-c2ccc(CN3CCC(N4C[C@H](C(=O)[O-])CC4=O)CC3)s2)cc1 ZINC000650791796 835547496 /nfs/dbraw/zinc/54/74/96/835547496.db2.gz QBQNMUHPGCQQRT-QGZVFWFLSA-N -1 3 398.528 3.621 20 0 GHADHM COC(=O)c1ccccc1CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000536209334 835549593 /nfs/dbraw/zinc/54/95/93/835549593.db2.gz NBQUDBSZESPSQJ-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM COc1ccc(-c2cc(N(C)Cc3cc(=O)oc4c(C)c([O-])ccc34)n[nH]2)cc1 ZINC001167685868 835578937 /nfs/dbraw/zinc/57/89/37/835578937.db2.gz LOTSZDCHTITJBO-UHFFFAOYSA-N -1 3 391.427 3.842 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000625010729 835579012 /nfs/dbraw/zinc/57/90/12/835579012.db2.gz SMELKJVKBRJWQU-UHFFFAOYSA-N -1 3 380.404 3.653 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000151631264 835677281 /nfs/dbraw/zinc/67/72/81/835677281.db2.gz VYPGVGVGIHIKPD-SECBINFHSA-N -1 3 385.283 3.557 20 0 GHADHM CCc1nn(C)cc1C=C(Cl)c1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000255004912 835688933 /nfs/dbraw/zinc/68/89/33/835688933.db2.gz OKEHQNJHKOSLGJ-UXBLZVDNSA-N -1 3 392.868 3.525 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(-c2nccs2)c1 ZINC000134115567 835689708 /nfs/dbraw/zinc/68/97/08/835689708.db2.gz VJKAILGZKOKUEM-UHFFFAOYSA-N -1 3 378.450 3.770 20 0 GHADHM CN1CCC(N(Cc2ccco2)C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000584181019 835726916 /nfs/dbraw/zinc/72/69/16/835726916.db2.gz LTGUQWUJTUKOFF-UHFFFAOYSA-N -1 3 382.382 3.741 20 0 GHADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001211611636 835752416 /nfs/dbraw/zinc/75/24/16/835752416.db2.gz LMXLVRFQKDJYSA-UONOGXRCSA-N -1 3 383.407 3.717 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ccccc1 ZINC000047332254 844100324 /nfs/dbraw/zinc/10/03/24/844100324.db2.gz VGLWCSQDJZKKOO-KRWDZBQOSA-N -1 3 389.908 3.644 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ccccc1 ZINC000047332255 844100399 /nfs/dbraw/zinc/10/03/99/844100399.db2.gz VGLWCSQDJZKKOO-QGZVFWFLSA-N -1 3 389.908 3.644 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000611832599 835927804 /nfs/dbraw/zinc/92/78/04/835927804.db2.gz HRBKTALVSBEWSN-UHFFFAOYSA-N -1 3 398.528 3.591 20 0 GHADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC001211632239 835955261 /nfs/dbraw/zinc/95/52/61/835955261.db2.gz ISPCUPIROFAJNF-KBPBESRZSA-N -1 3 380.535 3.682 20 0 GHADHM CC(=O)Nc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc(C(F)(F)F)c1 ZINC000473258809 844108764 /nfs/dbraw/zinc/10/87/64/844108764.db2.gz SZRHTDHPZPZWBS-UHFFFAOYSA-N -1 3 388.349 3.728 20 0 GHADHM COc1ccc([C@H](CN2CCCC2)Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC000647453316 835963646 /nfs/dbraw/zinc/96/36/46/835963646.db2.gz BVYYXDWNASLGNX-KRWDZBQOSA-N -1 3 375.856 3.691 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1F ZINC000544078826 836001520 /nfs/dbraw/zinc/00/15/20/836001520.db2.gz WPJMIUIQHZQTNW-UHFFFAOYSA-N -1 3 392.496 3.997 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000177182134 836054606 /nfs/dbraw/zinc/05/46/06/836054606.db2.gz GDGSADWUXDGMCY-UHFFFAOYSA-N -1 3 378.444 3.665 20 0 GHADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@H]1c1ccccc1 ZINC000429970024 844122244 /nfs/dbraw/zinc/12/22/44/844122244.db2.gz AZKXSDMXIWXATL-SJKOYZFVSA-N -1 3 385.265 3.744 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000180758629 836269403 /nfs/dbraw/zinc/26/94/03/836269403.db2.gz VVLYSLCPFIYVCJ-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM Cc1c(NC(=O)NCc2ncccc2[O-])cccc1C(=O)Nc1ccccc1 ZINC000471249490 836341713 /nfs/dbraw/zinc/34/17/13/836341713.db2.gz ILYDETXPTHVDNA-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cnn4ccc(C)nc34)n2)cc1 ZINC000174554841 836483697 /nfs/dbraw/zinc/48/36/97/836483697.db2.gz ZMRAVDOUDXZGJE-UHFFFAOYSA-N -1 3 382.474 3.601 20 0 GHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174612441 836491935 /nfs/dbraw/zinc/49/19/35/836491935.db2.gz YEMKDKRMNCZJHU-MRXNPFEDSA-N -1 3 377.444 3.566 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1C ZINC000052023625 844178235 /nfs/dbraw/zinc/17/82/35/844178235.db2.gz JBEXRPGSTFDTAH-UHFFFAOYSA-N -1 3 395.546 3.818 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409715053 836532906 /nfs/dbraw/zinc/53/29/06/836532906.db2.gz ZCILOCBHKIRSRR-HNAYVOBHSA-N -1 3 390.252 3.814 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCCc2ccc(Cl)cc2)[n-]1 ZINC000155333136 836824362 /nfs/dbraw/zinc/82/43/62/836824362.db2.gz XWRJPAPSIUSZGL-XMMPIXPASA-N -1 3 378.803 3.736 20 0 GHADHM CC(C)(CNC(=O)N[N-]C(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000066123652 836826475 /nfs/dbraw/zinc/82/64/75/836826475.db2.gz LWOPZTCNJVTSRJ-UHFFFAOYSA-N -1 3 397.372 3.766 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)CCc2cccs2)c(OC[C@H]2CCCO2)c1 ZINC000685899672 836866460 /nfs/dbraw/zinc/86/64/60/836866460.db2.gz NCDDFVAGOIJDTQ-OAHLLOKOSA-N -1 3 381.519 3.599 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCCO3)c1 ZINC000650204446 836926249 /nfs/dbraw/zinc/92/62/49/836926249.db2.gz UUIQTPFDCIBADT-UHFFFAOYSA-N -1 3 383.853 3.701 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ncccc2F)cc1 ZINC001125331976 836926789 /nfs/dbraw/zinc/92/67/89/836926789.db2.gz KUUBOXQOVAZHPY-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000471288079 836982432 /nfs/dbraw/zinc/98/24/32/836982432.db2.gz MPTOQHGSHZWASN-UHFFFAOYSA-N -1 3 385.370 3.966 20 0 GHADHM CCc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])sc2c1 ZINC000048029740 844246486 /nfs/dbraw/zinc/24/64/86/844246486.db2.gz ITFHUEOHRGGTAV-INIZCTEOSA-N -1 3 395.484 3.808 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c(=O)[n-]1 ZINC000103039125 837245507 /nfs/dbraw/zinc/24/55/07/837245507.db2.gz YVFVPLQCDMDYEB-UHFFFAOYSA-N -1 3 383.398 3.903 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1nccs1 ZINC000186678479 837365552 /nfs/dbraw/zinc/36/55/52/837365552.db2.gz WWPVQALLJJFLKM-MRVPVSSYSA-N -1 3 395.731 3.641 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000176473055 837376350 /nfs/dbraw/zinc/37/63/50/837376350.db2.gz WTIKDEYQANAKAJ-UHFFFAOYSA-N -1 3 376.547 3.911 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000177287115 837860806 /nfs/dbraw/zinc/86/08/06/837860806.db2.gz PVPWDMAKQFJIIL-UHFFFAOYSA-N -1 3 399.397 3.825 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000433456781 844270767 /nfs/dbraw/zinc/27/07/67/844270767.db2.gz XVBVBSLPRLQLNZ-CQSZACIVSA-N -1 3 382.888 3.674 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3c(Cl)cccc3Cl)no2)c(C)o1 ZINC000177315702 837899689 /nfs/dbraw/zinc/89/96/89/837899689.db2.gz HJVQMMMYVAHMHW-UHFFFAOYSA-N -1 3 388.232 3.520 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000415724127 838025802 /nfs/dbraw/zinc/02/58/02/838025802.db2.gz NDRSWZLWRRDQRN-UHFFFAOYSA-N -1 3 375.324 3.992 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683623118 838040719 /nfs/dbraw/zinc/04/07/19/838040719.db2.gz AKHVGZRDMNBLBN-CQSZACIVSA-N -1 3 376.859 3.921 20 0 GHADHM CCN(CC)[C@H](CNC(=O)[C@@H](C(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000579958072 838056598 /nfs/dbraw/zinc/05/65/98/838056598.db2.gz PUEFHQXUDRWAPQ-CVEARBPZSA-N -1 3 388.430 3.561 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)[C@H](C(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000579958075 838057816 /nfs/dbraw/zinc/05/78/16/838057816.db2.gz PUEFHQXUDRWAPQ-JKSUJKDBSA-N -1 3 388.430 3.561 20 0 GHADHM Cc1ccccc1COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728723558 838097154 /nfs/dbraw/zinc/09/71/54/838097154.db2.gz BVZUZFWJUHZGEC-UHFFFAOYSA-N -1 3 388.420 3.620 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1NC(C)=O ZINC000024437127 838117660 /nfs/dbraw/zinc/11/76/60/838117660.db2.gz NQTNXGBVSYTWSK-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000007053955 838193798 /nfs/dbraw/zinc/19/37/98/838193798.db2.gz JYAMTVWNEAXEQX-UHFFFAOYSA-N -1 3 376.478 3.752 20 0 GHADHM CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000163827988 838243576 /nfs/dbraw/zinc/24/35/76/838243576.db2.gz AZNBIOLMRHIEAC-VIFPVBQESA-N -1 3 390.383 3.766 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000433458820 844311130 /nfs/dbraw/zinc/31/11/30/844311130.db2.gz VJSCUAROWYMNMV-GXTWGEPZSA-N -1 3 377.334 3.818 20 0 GHADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1N1CCCC1=O ZINC000468537074 838321453 /nfs/dbraw/zinc/32/14/53/838321453.db2.gz PJKWMXHCYVQISH-UHFFFAOYSA-N -1 3 386.423 3.628 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ncccc1C)C(C)C ZINC000178545510 838398673 /nfs/dbraw/zinc/39/86/73/838398673.db2.gz VDVCNFUZAMCWOE-MRXNPFEDSA-N -1 3 396.896 3.506 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccc(Cl)cc1 ZINC000064954145 838489742 /nfs/dbraw/zinc/48/97/42/838489742.db2.gz OPVQQFZWWZPHTJ-UHFFFAOYSA-N -1 3 393.679 3.564 20 0 GHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266528 838508160 /nfs/dbraw/zinc/50/81/60/838508160.db2.gz YTPODUCNHYEBHB-ZCFIWIBFSA-N -1 3 395.204 3.705 20 0 GHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266528 838508161 /nfs/dbraw/zinc/50/81/61/838508161.db2.gz YTPODUCNHYEBHB-ZCFIWIBFSA-N -1 3 395.204 3.705 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Cl ZINC000589888274 838572779 /nfs/dbraw/zinc/57/27/79/838572779.db2.gz VQQPNWUONKYCMN-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000180845120 838573541 /nfs/dbraw/zinc/57/35/41/838573541.db2.gz JMLIRFHZUMSFTQ-CQSZACIVSA-N -1 3 376.412 3.841 20 0 GHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000180845101 838573610 /nfs/dbraw/zinc/57/36/10/838573610.db2.gz JMLIRFHZUMSFTQ-AWEZNQCLSA-N -1 3 376.412 3.841 20 0 GHADHM COC(=O)c1cccc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c1OC(C)C ZINC000589959465 838587636 /nfs/dbraw/zinc/58/76/36/838587636.db2.gz GZCUVPLCFBPTQO-UHFFFAOYSA-N -1 3 399.378 3.702 20 0 GHADHM COc1ccc(Br)cc1C1(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000416179983 838672030 /nfs/dbraw/zinc/67/20/30/838672030.db2.gz RIXLSVXTPFLIRO-UHFFFAOYSA-N -1 3 394.240 3.650 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000659795821 838682222 /nfs/dbraw/zinc/68/22/22/838682222.db2.gz DGLZECPSIQQDTD-CQSZACIVSA-N -1 3 377.428 3.936 20 0 GHADHM CN(CCCC(=O)[O-])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414636569 838711886 /nfs/dbraw/zinc/71/18/86/838711886.db2.gz KERWHZUIKMIGTA-UHFFFAOYSA-N -1 3 393.281 3.720 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183850525 838717850 /nfs/dbraw/zinc/71/78/50/838717850.db2.gz PJBPPKVBHBSNQM-GUXCAODWSA-N -1 3 398.528 3.606 20 0 GHADHM Cc1cncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182570262 838741752 /nfs/dbraw/zinc/74/17/52/838741752.db2.gz QOJCLEHVHOYDOF-FQEVSTJZSA-N -1 3 375.428 3.596 20 0 GHADHM O=C(CCN1CCCC1=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129488439 838763184 /nfs/dbraw/zinc/76/31/84/838763184.db2.gz YWMSZEJAOZOCAC-UHFFFAOYSA-N -1 3 381.457 3.620 20 0 GHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CCCc2c(=O)[n-]cnc21 ZINC000893212619 838927344 /nfs/dbraw/zinc/92/73/44/838927344.db2.gz JEYVFPCNHZAGED-UHFFFAOYSA-N -1 3 387.483 3.953 20 0 GHADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580213407 839061403 /nfs/dbraw/zinc/06/14/03/839061403.db2.gz PANTVMLLJJCMCV-UHFFFAOYSA-N -1 3 390.281 3.573 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)cn1C ZINC000416450491 839243513 /nfs/dbraw/zinc/24/35/13/839243513.db2.gz MUWZQAFQUOOFRU-CYBMUJFWSA-N -1 3 393.406 3.655 20 0 GHADHM CC(C)OCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312802722 839345059 /nfs/dbraw/zinc/34/50/59/839345059.db2.gz HHBAFPWOKVGMMS-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1C(C)C ZINC000683924691 839474384 /nfs/dbraw/zinc/47/43/84/839474384.db2.gz NLVHOZQUMRXPQR-UHFFFAOYSA-N -1 3 390.505 3.911 20 0 GHADHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000416625698 839491390 /nfs/dbraw/zinc/49/13/90/839491390.db2.gz QTGPZTVRZIIEHB-UHFFFAOYSA-N -1 3 384.723 3.584 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1ccccc1F ZINC000462708154 839537952 /nfs/dbraw/zinc/53/79/52/839537952.db2.gz SNBPVTQEOLXRIL-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000053210863 839585969 /nfs/dbraw/zinc/58/59/69/839585969.db2.gz GSDKBUKUSMEIDJ-SNVBAGLBSA-N -1 3 380.433 3.635 20 0 GHADHM CCCCOCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312860198 839587394 /nfs/dbraw/zinc/58/73/94/839587394.db2.gz NBZMEUASSQGHEW-UHFFFAOYSA-N -1 3 384.723 3.588 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(Br)c1 ZINC000031809001 839740898 /nfs/dbraw/zinc/74/08/98/839740898.db2.gz RGVHPJYAEHGZED-UHFFFAOYSA-N -1 3 387.237 3.566 20 0 GHADHM O=S(=O)(/C=C\c1cccc(Br)c1)[N-]c1cnc(C2CC2)nc1 ZINC000255225364 840089802 /nfs/dbraw/zinc/08/98/02/840089802.db2.gz XANSJSRBPYKWJO-SREVYHEPSA-N -1 3 380.267 3.529 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nnn1-c1ccc(C)cc1 ZINC000255755701 840162493 /nfs/dbraw/zinc/16/24/93/840162493.db2.gz QDKANVYIEYWNAQ-KTKRTIGZSA-N -1 3 392.444 3.751 20 0 GHADHM C[C@H](Oc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1)c1ccccc1 ZINC000473018535 840389023 /nfs/dbraw/zinc/38/90/23/840389023.db2.gz ZNSFODASKKPJHH-LBPRGKRZSA-N -1 3 390.365 3.894 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)c(C)c1 ZINC000584674563 840501239 /nfs/dbraw/zinc/50/12/39/840501239.db2.gz HIFKGOGQOQNOFV-UHFFFAOYSA-N -1 3 383.473 3.960 20 0 GHADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000580953854 840521507 /nfs/dbraw/zinc/52/15/07/840521507.db2.gz FCSAQEFTYSFIGG-VLIAUNLRSA-N -1 3 394.471 3.533 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000312405872 840538568 /nfs/dbraw/zinc/53/85/68/840538568.db2.gz FKKFTAACRAOWNZ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(F)cc2n[n-]nc21 ZINC000581003624 840581222 /nfs/dbraw/zinc/58/12/22/840581222.db2.gz WHOZECDLHZWKGQ-KRWDZBQOSA-N -1 3 388.830 3.648 20 0 GHADHM COCC1(CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000549466622 840630006 /nfs/dbraw/zinc/63/00/06/840630006.db2.gz WCLPXVQNVZCENP-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc2c(c1)CCC2 ZINC000581157336 840804856 /nfs/dbraw/zinc/80/48/56/840804856.db2.gz GWCXPGLMWGZNEB-RTWAWAEBSA-N -1 3 387.501 3.658 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1ccco1 ZINC000188117569 840868658 /nfs/dbraw/zinc/86/86/58/840868658.db2.gz ZKGZOEIXMZPNKK-NRFANRHFSA-N -1 3 397.452 3.731 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1c(F)ccc(SCC2CC2)c1F ZINC000581291870 841027632 /nfs/dbraw/zinc/02/76/32/841027632.db2.gz MBYTXUHKAVJJHX-CYBMUJFWSA-N -1 3 379.432 3.716 20 0 GHADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)cc1[O-] ZINC000123550722 841294820 /nfs/dbraw/zinc/29/48/20/841294820.db2.gz QTZMGAZPXKFTDW-UHFFFAOYSA-N -1 3 385.851 3.643 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(OC)c2)c1 ZINC000277115311 844629559 /nfs/dbraw/zinc/62/95/59/844629559.db2.gz AQWGIKZGANYZAL-HNNXBMFYSA-N -1 3 381.375 3.611 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000599446825 861194504 /nfs/dbraw/zinc/19/45/04/861194504.db2.gz HZIYLQBYWBMKLR-UHFFFAOYSA-N -1 3 389.452 3.847 20 0 GHADHM COCCCOc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000124044883 841385281 /nfs/dbraw/zinc/38/52/81/841385281.db2.gz HRYNCOHECNUTOR-UHFFFAOYSA-N -1 3 383.488 3.902 20 0 GHADHM CCC(CC)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000500083235 841397301 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3.760 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@](C(=O)[O-])(C(C)C)C3)cs2)cc1OC ZINC000581494360 841542064 /nfs/dbraw/zinc/54/20/64/841542064.db2.gz JYKNPVIMJBRYTR-HXUWFJFHSA-N -1 3 390.505 3.760 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1)C1CCCCC1 ZINC000656616373 841565059 /nfs/dbraw/zinc/56/50/59/841565059.db2.gz MZKRGYUYQOGOGR-LJQANCHMSA-N -1 3 378.494 3.987 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1)C1CCCCC1 ZINC000656617765 841571524 /nfs/dbraw/zinc/57/15/24/841571524.db2.gz QJCSMXBPGVOMDF-GOSISDBHSA-N -1 3 396.553 3.552 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1)C1CCCC1 ZINC000656617256 841573859 /nfs/dbraw/zinc/57/38/59/841573859.db2.gz FTTBANXECOXVOY-HXUWFJFHSA-N -1 3 390.505 3.608 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1)C1CCCCC1 ZINC000656616932 841575116 /nfs/dbraw/zinc/57/51/16/841575116.db2.gz WAGXJIMSASXJPL-SFHVURJKSA-N -1 3 382.526 3.618 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C)C1CCCCC1 ZINC000656630766 841620140 /nfs/dbraw/zinc/62/01/40/841620140.db2.gz DIFQEIONTVGDOD-AWEZNQCLSA-N -1 3 380.432 3.746 20 0 GHADHM CCCOc1ccc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)cc1F ZINC001211665965 841625614 /nfs/dbraw/zinc/62/56/14/841625614.db2.gz LVNVLPSLMSBARZ-UHFFFAOYSA-N -1 3 379.432 3.795 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000487354583 841720625 /nfs/dbraw/zinc/72/06/25/841720625.db2.gz MYJXZDSYPBJSAR-UHFFFAOYSA-N -1 3 397.880 3.781 20 0 GHADHM CN(Cc1ccccc1F)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000548191528 841754019 /nfs/dbraw/zinc/75/40/19/841754019.db2.gz LZOCIBOYANESJC-UHFFFAOYSA-N -1 3 389.224 3.702 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600197920 861236326 /nfs/dbraw/zinc/23/63/26/861236326.db2.gz UOKZZGYMUNVULB-OCCSQVGLSA-N -1 3 384.314 3.954 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000730768263 861265782 /nfs/dbraw/zinc/26/57/82/861265782.db2.gz KLFBNQZWIFEHHQ-UHFFFAOYSA-N -1 3 378.881 3.676 20 0 GHADHM CCOC(=O)C(=Cc1ccc(OC)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005071046 842098298 /nfs/dbraw/zinc/09/82/98/842098298.db2.gz RKLIWROFJKAQTP-GDNBJRDFSA-N -1 3 384.457 3.714 20 0 GHADHM O=C(N[C@H]1CC[C@H](F)C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000517052440 842160970 /nfs/dbraw/zinc/16/09/70/842160970.db2.gz ZLLHDSYLTNWUEU-IUCAKERBSA-N -1 3 387.636 3.564 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c2[O-] ZINC000512032167 842221247 /nfs/dbraw/zinc/22/12/47/842221247.db2.gz FPKRDIAWRBIHKO-UHFFFAOYSA-N -1 3 382.439 3.788 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)cc(OC)c1[O-] ZINC000581856558 842312078 /nfs/dbraw/zinc/31/20/78/842312078.db2.gz ZKKQHPSPMPKWQV-VIFPVBQESA-N -1 3 398.228 3.802 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000730811553 861298767 /nfs/dbraw/zinc/29/87/67/861298767.db2.gz KHMFDSYVPXCJSW-MRVPVSSYSA-N -1 3 394.287 3.698 20 0 GHADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1CCCCCC1 ZINC000049909436 842441079 /nfs/dbraw/zinc/44/10/79/842441079.db2.gz CNMONPOTXZJWMO-UHFFFAOYSA-N -1 3 393.336 3.501 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC001211681528 842489248 /nfs/dbraw/zinc/48/92/48/842489248.db2.gz IACVZJFROIODOA-HUUCEWRRSA-N -1 3 395.443 3.640 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)c1cccc(OC)c1 ZINC000663113074 842498748 /nfs/dbraw/zinc/49/87/48/842498748.db2.gz SVSYKJRGSYLSKA-IBGZPJMESA-N -1 3 390.524 3.620 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1ccc(Cl)cc1F ZINC000432283886 842525439 /nfs/dbraw/zinc/52/54/39/842525439.db2.gz JSALJNCDUWBTDG-KRWDZBQOSA-N -1 3 383.872 3.661 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c(C)c1 ZINC000135332171 842559380 /nfs/dbraw/zinc/55/93/80/842559380.db2.gz MIMMCUQCXLESKS-UHFFFAOYSA-N -1 3 375.490 3.910 20 0 GHADHM CN1CC[C@H](NC(=O)/C(C#N)=C/c2ccc([O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248823983 842705024 /nfs/dbraw/zinc/70/50/24/842705024.db2.gz ZISFUSQLQCBSSX-XNTDWRONSA-N -1 3 399.853 3.653 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)N=c1cc(-c3cc(Cl)ccc3OC)[n-][nH]1)CC2 ZINC000432503171 842724450 /nfs/dbraw/zinc/72/44/50/842724450.db2.gz DQORYHUCFKEOGC-HNNXBMFYSA-N -1 3 397.862 3.838 20 0 GHADHM CC(C)Cc1csc2nc(-c3ccc(N4CCOCC4)c(F)c3)[n-]c(=O)c12 ZINC000178353207 861357049 /nfs/dbraw/zinc/35/70/49/861357049.db2.gz DAOJXSAOBWKXAX-UHFFFAOYSA-N -1 3 387.480 3.826 20 0 GHADHM CCSc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000188405069 842930285 /nfs/dbraw/zinc/93/02/85/842930285.db2.gz GPHGEXYBTMABSZ-UHFFFAOYSA-N -1 3 396.310 3.661 20 0 GHADHM COC[C@H](C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000663261110 842942111 /nfs/dbraw/zinc/94/21/11/842942111.db2.gz YILXSRQOBZASDA-LIRRHRJNSA-N -1 3 377.868 3.978 20 0 GHADHM Cn1cc(CCNC(=O)c2c[n-]c3ccccc3c2=O)c2ccc(Cl)cc21 ZINC000187199003 842963158 /nfs/dbraw/zinc/96/31/58/842963158.db2.gz LQINHXNEAGPHQB-UHFFFAOYSA-N -1 3 379.847 3.646 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)oc21 ZINC000510578612 842997000 /nfs/dbraw/zinc/99/70/00/842997000.db2.gz KSFYYOPDNIXKKK-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)oc21 ZINC000510578612 842997003 /nfs/dbraw/zinc/99/70/03/842997003.db2.gz KSFYYOPDNIXKKK-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM O=C(NCc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000510604922 843032373 /nfs/dbraw/zinc/03/23/73/843032373.db2.gz GDEIZGPLDLDDDH-UHFFFAOYSA-N -1 3 387.395 3.684 20 0 GHADHM CN(Cc1nc(-c2cccs2)no1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000510606395 843036725 /nfs/dbraw/zinc/03/67/25/843036725.db2.gz BGVAQXHJTFZQOU-UHFFFAOYSA-N -1 3 393.428 3.825 20 0 GHADHM C[C@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000186452266 843081818 /nfs/dbraw/zinc/08/18/18/843081818.db2.gz UWWMDJOTEMXKJV-UWJYYQICSA-N -1 3 380.488 3.902 20 0 GHADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@](C)(C(F)F)O1 ZINC000662364208 843160180 /nfs/dbraw/zinc/16/01/80/843160180.db2.gz WZOZXAJORIFBQU-YPMLDQLKSA-N -1 3 395.431 3.901 20 0 GHADHM CCc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1CC ZINC000436718444 843283004 /nfs/dbraw/zinc/28/30/04/843283004.db2.gz ZPTWHHXAIGHIDR-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1csc(NC2CC2)n1 ZINC000432624927 843318603 /nfs/dbraw/zinc/31/86/03/843318603.db2.gz XHMIMNITTIEPQZ-CQSZACIVSA-N -1 3 397.529 3.711 20 0 GHADHM O=C(NC[C@@H](n1cccn1)C(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC001167893916 843321432 /nfs/dbraw/zinc/32/14/32/843321432.db2.gz XYUATHHKBPYXHD-QGZVFWFLSA-N -1 3 391.349 3.914 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000535655953 843331294 /nfs/dbraw/zinc/33/12/94/843331294.db2.gz RAYGCTUSEYULPC-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cc3sc(N(C)C)nc3s2)[nH][n-]1 ZINC000512320484 843369050 /nfs/dbraw/zinc/36/90/50/843369050.db2.gz DQBUZIPFDLFISI-UHFFFAOYSA-N -1 3 383.502 3.797 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000667886256 861416806 /nfs/dbraw/zinc/41/68/06/861416806.db2.gz LONHKUCVCJFAOD-INIZCTEOSA-N -1 3 384.461 3.686 20 0 GHADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H](C)CC ZINC000600255522 861417538 /nfs/dbraw/zinc/41/75/38/861417538.db2.gz YAHRXZCLSBLXMX-AWEZNQCLSA-N -1 3 395.500 3.995 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc(C2CC2)cn1 ZINC000610674192 843502756 /nfs/dbraw/zinc/50/27/56/843502756.db2.gz ATJBDHMJYQNYLS-UHFFFAOYSA-N -1 3 380.185 3.522 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)ccc2o1 ZINC000065079827 843525797 /nfs/dbraw/zinc/52/57/97/843525797.db2.gz ACMQHYIKNQVRRR-UHFFFAOYSA-N -1 3 394.408 3.781 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc3onc(C(C)(C)C)c3c2)[nH][n-]1 ZINC000512364035 843560050 /nfs/dbraw/zinc/56/00/50/843560050.db2.gz YOIOUYBMLZRALL-UHFFFAOYSA-N -1 3 375.432 3.893 20 0 GHADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000121163000 861440838 /nfs/dbraw/zinc/44/08/38/861440838.db2.gz OIOIVGOIXUAESX-UHFFFAOYSA-N -1 3 393.877 3.886 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1Cl ZINC000432766761 843744760 /nfs/dbraw/zinc/74/47/60/843744760.db2.gz QMVFHLHUTRHLGZ-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092263093 843756141 /nfs/dbraw/zinc/75/61/41/843756141.db2.gz SXGHCNLPXNKURH-GFCCVEGCSA-N -1 3 382.404 3.871 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000432767404 843758200 /nfs/dbraw/zinc/75/82/00/843758200.db2.gz SWYATXAVJUUUQY-UHFFFAOYSA-N -1 3 395.484 3.806 20 0 GHADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000276924681 843787383 /nfs/dbraw/zinc/78/73/83/843787383.db2.gz WVUQOCCHQYSRFQ-MRXNPFEDSA-N -1 3 397.456 3.551 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)cc1C(C)C ZINC000432781957 843810198 /nfs/dbraw/zinc/81/01/98/843810198.db2.gz USNJSVRGGDJGQB-UHFFFAOYSA-N -1 3 393.505 3.607 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1 ZINC000432782530 843814992 /nfs/dbraw/zinc/81/49/92/843814992.db2.gz XOIYKPKRDGBREJ-UHFFFAOYSA-N -1 3 386.473 3.863 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1Cl ZINC000431184164 843827808 /nfs/dbraw/zinc/82/78/08/843827808.db2.gz ZXXRGHCLNWBFJX-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccccc2)c(Br)c1[O-] ZINC000426638825 843848053 /nfs/dbraw/zinc/84/80/53/843848053.db2.gz SNSDRKGUNWTRPX-CQSZACIVSA-N -1 3 394.265 3.511 20 0 GHADHM COc1ccc(C)cc1CC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000512849040 843883377 /nfs/dbraw/zinc/88/33/77/843883377.db2.gz LUDSFMNCFIFVGB-UHFFFAOYSA-N -1 3 385.851 3.659 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCOc2ccccc2)[nH][n-]1 ZINC000512851808 843884238 /nfs/dbraw/zinc/88/42/38/843884238.db2.gz YZMGTZQFHJNXPT-UHFFFAOYSA-N -1 3 385.851 3.958 20 0 GHADHM CC(=O)N1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000673714321 861468881 /nfs/dbraw/zinc/46/88/81/861468881.db2.gz MMFQJYXOSIWVQL-UHFFFAOYSA-N -1 3 388.427 3.845 20 0 GHADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052641887 844661760 /nfs/dbraw/zinc/66/17/60/844661760.db2.gz YYECLRTWERIKHN-KRWDZBQOSA-N -1 3 391.427 3.654 20 0 GHADHM O=c1[n-]nc(SCc2coc(-c3ccccc3)n2)n1CCc1ccccc1 ZINC000024456552 861503184 /nfs/dbraw/zinc/50/31/84/861503184.db2.gz QYJRRUBESVKDDH-UHFFFAOYSA-N -1 3 378.457 3.761 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000181411754 844981631 /nfs/dbraw/zinc/98/16/31/844981631.db2.gz JYTYWWHNMUXFIZ-UHFFFAOYSA-N -1 3 389.309 3.786 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000181411754 844981635 /nfs/dbraw/zinc/98/16/35/844981635.db2.gz JYTYWWHNMUXFIZ-UHFFFAOYSA-N -1 3 389.309 3.786 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563607279 844990827 /nfs/dbraw/zinc/99/08/27/844990827.db2.gz VVPSPXIHASXAAK-CRAIPNDOSA-N -1 3 395.931 3.619 20 0 GHADHM CCCC(O)(CCC)CC(=O)Nc1cc(I)ccc1[O-] ZINC000610987124 844994934 /nfs/dbraw/zinc/99/49/34/844994934.db2.gz KOKXTJQTSGNRJU-UHFFFAOYSA-N -1 3 391.249 3.657 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1C ZINC000303393650 845094100 /nfs/dbraw/zinc/09/41/00/845094100.db2.gz PGOJNNMOLKMSCU-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000645089270 845100643 /nfs/dbraw/zinc/10/06/43/845100643.db2.gz GOEXDNNQQLLKOT-UHFFFAOYSA-N -1 3 377.293 3.948 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)sc1Br ZINC000433630523 845129367 /nfs/dbraw/zinc/12/93/67/845129367.db2.gz HITWHQZKGLEJGZ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1c(Cl)cccc1Cl)c1cc(F)ccc1Cl ZINC000481499143 861551733 /nfs/dbraw/zinc/55/17/33/861551733.db2.gz ZTAKSOWKMXDHOX-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM COCCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000156615325 845294065 /nfs/dbraw/zinc/29/40/65/845294065.db2.gz MLZBBKXBYBXHJW-UHFFFAOYSA-N -1 3 388.489 3.551 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1F ZINC000512757714 845335410 /nfs/dbraw/zinc/33/54/10/845335410.db2.gz PKVHWNYFIOFBDE-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1cccc(CSC[C@H](NCc2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000277245115 845393773 /nfs/dbraw/zinc/39/37/73/845393773.db2.gz JLYZRLNLZWVBHU-KRWDZBQOSA-N -1 3 383.872 3.964 20 0 GHADHM CCOC1CC(CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000576772138 845396697 /nfs/dbraw/zinc/39/66/97/845396697.db2.gz CYUKXCRNVLFNDM-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM COc1ccc(CN2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000048678704 846016124 /nfs/dbraw/zinc/01/61/24/846016124.db2.gz JFLICERFKWDLAI-UHFFFAOYSA-N -1 3 382.504 3.872 20 0 GHADHM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000513627251 846186519 /nfs/dbraw/zinc/18/65/19/846186519.db2.gz NRCGWHPEYKLNOT-UHFFFAOYSA-N -1 3 375.407 3.693 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c[nH]cc1-c1ccccc1F ZINC000513752469 846400076 /nfs/dbraw/zinc/40/00/76/846400076.db2.gz TWHIZPVCTDYEJI-UHFFFAOYSA-N -1 3 399.223 3.905 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)o1 ZINC000430033041 846476377 /nfs/dbraw/zinc/47/63/77/846476377.db2.gz FBOXMDBOHVCJFE-HAQNSBGRSA-N -1 3 388.258 3.714 20 0 GHADHM COc1ccc(C(=O)N[C@H](C(=O)Nc2cc(F)ccc2[O-])c2ccccc2)cc1 ZINC000179643547 861681365 /nfs/dbraw/zinc/68/13/65/861681365.db2.gz KJBGPIMWEKTIOM-FQEVSTJZSA-N -1 3 394.402 3.650 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC/C=C\c2ccccc2)cc1OC ZINC000263634568 846553092 /nfs/dbraw/zinc/55/30/92/846553092.db2.gz XEUZWXDFPJOIOI-XFFZJAGNSA-N -1 3 388.489 3.889 20 0 GHADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000419591866 846678484 /nfs/dbraw/zinc/67/84/84/846678484.db2.gz USTABDMPGNVIMU-NWDGAFQWSA-N -1 3 375.469 3.698 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419599171 846684390 /nfs/dbraw/zinc/68/43/90/846684390.db2.gz FAIOKKCNKOTFEW-STQMWFEESA-N -1 3 387.505 3.567 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1cc(C)c(C)cc1Cl)Cc1ccc([O-])c(F)c1 ZINC000422051651 846784574 /nfs/dbraw/zinc/78/45/74/846784574.db2.gz ZEYLOERKTVNXJM-AWEZNQCLSA-N -1 3 393.842 3.563 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2cccs2)n1 ZINC000501492573 846977662 /nfs/dbraw/zinc/97/76/62/846977662.db2.gz VQBMYLPYMWINFM-UHFFFAOYSA-N -1 3 396.501 3.968 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2cccs2)n1 ZINC000501492573 846977664 /nfs/dbraw/zinc/97/76/64/846977664.db2.gz VQBMYLPYMWINFM-UHFFFAOYSA-N -1 3 396.501 3.968 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2cc(F)ccc2OC[C@H]2CCCO2)[n-]1 ZINC000179764698 861761294 /nfs/dbraw/zinc/76/12/94/861761294.db2.gz SMAJXSPNDHTOSS-LLVKDONJSA-N -1 3 387.333 3.510 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CSc3cccc(Br)c3)n[n-]2)o1 ZINC000501862579 847286662 /nfs/dbraw/zinc/28/66/62/847286662.db2.gz QTQMEXGDOQPEHT-UHFFFAOYSA-N -1 3 393.266 3.866 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](CC)c3ccc(C)cc3)CC2)[n-]1 ZINC000277626509 847325032 /nfs/dbraw/zinc/32/50/32/847325032.db2.gz GPMMYJUKVURONI-MRXNPFEDSA-N -1 3 398.507 3.580 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](CC)c3ccc(C)cc3)CC2)n[n-]1 ZINC000277626509 847325046 /nfs/dbraw/zinc/32/50/46/847325046.db2.gz GPMMYJUKVURONI-MRXNPFEDSA-N -1 3 398.507 3.580 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)s1 ZINC000420701438 847383467 /nfs/dbraw/zinc/38/34/67/847383467.db2.gz DQAPSAVNXNEIBE-SNVBAGLBSA-N -1 3 396.397 3.631 20 0 GHADHM [O-]c1coc2cc(OC[C@@H](O)COc3ccc(Oc4ccccc4)cc3)ccc12 ZINC000582499655 847423433 /nfs/dbraw/zinc/42/34/33/847423433.db2.gz IERWYJLPJWYZOM-INIZCTEOSA-N -1 3 392.407 3.873 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3c(cc2OC)C[C@@H](C)O3)cc1 ZINC000582594984 847710642 /nfs/dbraw/zinc/71/06/42/847710642.db2.gz FOMUNSGQCQDALO-KUHUBIRLSA-N -1 3 385.460 3.723 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC(C)C)c2ccccc21)c1ccco1 ZINC000673824558 861828784 /nfs/dbraw/zinc/82/87/84/861828784.db2.gz MYKKJUZMVHGJHF-QGZVFWFLSA-N -1 3 389.473 3.886 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1c(Cl)cccc1Cl ZINC000115646535 847876297 /nfs/dbraw/zinc/87/62/97/847876297.db2.gz UTEPWLRTUVXWRU-UHFFFAOYSA-N -1 3 380.187 3.772 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1c(Cl)cccc1Cl ZINC000115646535 847876303 /nfs/dbraw/zinc/87/63/03/847876303.db2.gz UTEPWLRTUVXWRU-UHFFFAOYSA-N -1 3 380.187 3.772 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccco1 ZINC000503794593 847946847 /nfs/dbraw/zinc/94/68/47/847946847.db2.gz QZAUUMDMJWJOLX-SNVBAGLBSA-N -1 3 394.276 3.651 20 0 GHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc([C@@H]4CCCc5ccccc54)s3)c2n1 ZINC000582659342 847957258 /nfs/dbraw/zinc/95/72/58/847957258.db2.gz ZGGXUUQVWZECJH-OAHLLOKOSA-N -1 3 390.472 3.610 20 0 GHADHM O=C(OCc1nccn1C(F)F)c1n[n-]c(-c2ccccc2)c1Br ZINC000731768052 861853864 /nfs/dbraw/zinc/85/38/64/861853864.db2.gz YWVQYLMXLKWJJV-UHFFFAOYSA-N -1 3 397.179 3.788 20 0 GHADHM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000116712485 848036713 /nfs/dbraw/zinc/03/67/13/848036713.db2.gz QBVVTQUHEZFEBF-DEOSSOPVSA-N -1 3 379.547 3.873 20 0 GHADHM C[C@@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccc2ccccc2c1 ZINC000731842472 861922136 /nfs/dbraw/zinc/92/21/36/861922136.db2.gz WWHSXURCWPGPKX-QGZVFWFLSA-N -1 3 392.455 3.534 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2nnc3ccccc3c2[O-])CCCC1 ZINC000731869673 861939016 /nfs/dbraw/zinc/93/90/16/861939016.db2.gz ARWKYBNAWQVGGC-UHFFFAOYSA-N -1 3 377.444 3.586 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3csc4ccccc34)CC2)[n-]1 ZINC000278009507 848841130 /nfs/dbraw/zinc/84/11/30/848841130.db2.gz IIELLFKRNXWPJD-UHFFFAOYSA-N -1 3 399.476 3.608 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3csc4ccccc34)CC2)n[n-]1 ZINC000278009507 848841138 /nfs/dbraw/zinc/84/11/38/848841138.db2.gz IIELLFKRNXWPJD-UHFFFAOYSA-N -1 3 399.476 3.608 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1C ZINC000583027139 848907249 /nfs/dbraw/zinc/90/72/49/848907249.db2.gz DYHAHIGIFCKQCL-AYSMAOOMSA-N -1 3 384.476 3.713 20 0 GHADHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000180113450 861959690 /nfs/dbraw/zinc/95/96/90/861959690.db2.gz XAXZRIJJOKSIDH-UHFFFAOYSA-N -1 3 379.807 3.838 20 0 GHADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544041132 848944485 /nfs/dbraw/zinc/94/44/85/848944485.db2.gz YKWNBGROTCNUIY-VIFPVBQESA-N -1 3 378.288 3.559 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H]4CCCC[C@@H]4C3)cs2)c1 ZINC000180129607 861970149 /nfs/dbraw/zinc/97/01/49/861970149.db2.gz MRDJFECTFTVJRN-GASCZTMLSA-N -1 3 399.516 3.601 20 0 GHADHM O=C([N-]Cc1cn(-c2ccccc2)nn1)C(F)(F)c1cccc(Cl)c1Cl ZINC001126911003 861970948 /nfs/dbraw/zinc/97/09/48/861970948.db2.gz QFMLMZYXJMXAED-UHFFFAOYSA-N -1 3 397.212 3.982 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c[n-]c12 ZINC000162469435 849067472 /nfs/dbraw/zinc/06/74/72/849067472.db2.gz HHFCKXFFQHAOST-KRWDZBQOSA-N -1 3 396.418 3.786 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000458419057 849280173 /nfs/dbraw/zinc/28/01/73/849280173.db2.gz OHKBFLRSWUFAIN-AWEZNQCLSA-N -1 3 393.256 3.993 20 0 GHADHM O=C(Nc1cccc(-n2c(=O)[nH]c(CC(F)(F)F)c2[O-])c1)C1CCCCC1 ZINC000278126991 849311906 /nfs/dbraw/zinc/31/19/06/849311906.db2.gz MGHKMDJKGWIFLK-AWEZNQCLSA-N -1 3 383.370 3.583 20 0 GHADHM COC1(c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CCOCC1 ZINC000278133461 849331292 /nfs/dbraw/zinc/33/12/92/849331292.db2.gz HIOBEUMXFNPPBC-UHFFFAOYSA-N -1 3 382.416 3.673 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1OCc1ccccc1)c1ccc(Cl)s1 ZINC000509165117 862072215 /nfs/dbraw/zinc/07/22/15/862072215.db2.gz JFOZKUHDZZUPQS-UHFFFAOYSA-N -1 3 394.905 3.854 20 0 GHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cn(-c2ccccc2)nn1 ZINC000443876481 862083530 /nfs/dbraw/zinc/08/35/30/862083530.db2.gz HMGCHCLMERPIEI-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM COCC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccco1 ZINC000504464845 850080921 /nfs/dbraw/zinc/08/09/21/850080921.db2.gz NMFBYRMFGFGFMJ-INIZCTEOSA-N -1 3 382.420 3.650 20 0 GHADHM COC(=O)c1ccc(-c2nc(Cc3csc(-c4ccc(C)cc4)n3)no2)[n-]1 ZINC000426453960 850215870 /nfs/dbraw/zinc/21/58/70/850215870.db2.gz KYNJLNMJWXECAV-UHFFFAOYSA-N -1 3 380.429 3.874 20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000424252916 850314908 /nfs/dbraw/zinc/31/49/08/850314908.db2.gz DVJMZAOPZYXSJF-DENIHFKCSA-N -1 3 390.499 3.893 20 0 GHADHM O=C([O-])[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCCC1 ZINC000908750749 850316004 /nfs/dbraw/zinc/31/60/04/850316004.db2.gz HZJGRZPYNHPIAX-SJLPKXTDSA-N -1 3 393.553 3.608 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccsc1 ZINC000908801275 850367698 /nfs/dbraw/zinc/36/76/98/850367698.db2.gz DJQLRQZLTCEHSA-QZTJIDSGSA-N -1 3 395.569 3.854 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccsc1 ZINC000908802131 850369794 /nfs/dbraw/zinc/36/97/94/850369794.db2.gz GJXNMOWHSASCAB-KRWDZBQOSA-N -1 3 381.542 3.560 20 0 GHADHM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000908837628 850403687 /nfs/dbraw/zinc/40/36/87/850403687.db2.gz WCCYVMRYFLRLRE-SFHVURJKSA-N -1 3 380.488 3.646 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000908847907 850423418 /nfs/dbraw/zinc/42/34/18/850423418.db2.gz VUOLDISLMRTWJZ-RXVVDRJESA-N -1 3 395.503 3.508 20 0 GHADHM C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H]1C(=O)[O-] ZINC000424416600 850448071 /nfs/dbraw/zinc/44/80/71/850448071.db2.gz KLLSWDTXSJICEI-NOZJJQNGSA-N -1 3 378.213 3.736 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1 ZINC000908883726 850451251 /nfs/dbraw/zinc/45/12/51/850451251.db2.gz DTLRVGANTYIZFR-UXPWSPDFSA-N -1 3 387.524 3.545 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000908884047 850451494 /nfs/dbraw/zinc/45/14/94/850451494.db2.gz HLKWBGOMEWRPNS-DBXWQHBBSA-N -1 3 395.503 3.679 20 0 GHADHM CCC[C@]1(C(=O)[O-])CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000908900811 850465647 /nfs/dbraw/zinc/46/56/47/850465647.db2.gz LURQHEHSHGUVPS-SIKLNZKXSA-N -1 3 387.524 3.561 20 0 GHADHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccn1 ZINC000435425457 850506667 /nfs/dbraw/zinc/50/66/67/850506667.db2.gz CXSRVNKEFLHKDZ-UHFFFAOYSA-N -1 3 393.267 3.793 20 0 GHADHM CC(C)(NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OC(F)(F)F)cc1 ZINC000505066381 850568039 /nfs/dbraw/zinc/56/80/39/850568039.db2.gz MIHRWIMKJSOAII-UHFFFAOYSA-N -1 3 382.317 3.661 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000515080067 850651720 /nfs/dbraw/zinc/65/17/20/850651720.db2.gz MGDUTUSJDQMRMZ-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM CCc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000435630545 850726178 /nfs/dbraw/zinc/72/61/78/850726178.db2.gz XPLRBVQROMPTAT-UHFFFAOYSA-N -1 3 378.803 3.795 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000515179007 850760304 /nfs/dbraw/zinc/76/03/04/850760304.db2.gz CRWNQLQJNYRUAC-UHFFFAOYSA-N -1 3 386.455 3.727 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1C ZINC000435724028 850807535 /nfs/dbraw/zinc/80/75/35/850807535.db2.gz RLJMLKFLYIAMIR-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CCC1)c1nnc2ccccc2c1[O-] ZINC000732280615 862173625 /nfs/dbraw/zinc/17/36/25/862173625.db2.gz MBYMEOVSPIZBRI-UHFFFAOYSA-N -1 3 398.260 3.907 20 0 GHADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H](C)C1 ZINC000425037625 850883076 /nfs/dbraw/zinc/88/30/76/850883076.db2.gz SPAIJKHEDCMCBD-CBGDNZLLSA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1 ZINC000732305717 862185570 /nfs/dbraw/zinc/18/55/70/862185570.db2.gz QINNWWJGGWLVFZ-OAHLLOKOSA-N -1 3 388.537 3.997 20 0 GHADHM Cc1c(NC(=O)[C@H](C(C)C)N2CCCCC2)cc(Br)cc1C(=O)[O-] ZINC000910082464 850978446 /nfs/dbraw/zinc/97/84/46/850978446.db2.gz NUOFZVJZIPMCOA-INIZCTEOSA-N -1 3 397.313 3.905 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1 ZINC000434347763 851001470 /nfs/dbraw/zinc/00/14/70/851001470.db2.gz BHQFXLNYIROJQZ-APPDUMDISA-N -1 3 398.912 3.667 20 0 GHADHM COc1cc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)cc(Br)c1[O-] ZINC000426631038 851036197 /nfs/dbraw/zinc/03/61/97/851036197.db2.gz MNPIQKZBYYTRFJ-APPDUMDISA-N -1 3 386.286 3.534 20 0 GHADHM COc1cc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc(OC)c1[O-] ZINC000513965358 851079986 /nfs/dbraw/zinc/07/99/86/851079986.db2.gz XPUCKJGLNXNKFQ-MGPUTAFESA-N -1 3 385.460 3.628 20 0 GHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000440356470 851082140 /nfs/dbraw/zinc/08/21/40/851082140.db2.gz KAFCUWDTPHZQNR-UHFFFAOYSA-N -1 3 376.825 3.534 20 0 GHADHM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c2ccccc12 ZINC000910249369 851086732 /nfs/dbraw/zinc/08/67/32/851086732.db2.gz USLPZCRVDHWGHS-QGZVFWFLSA-N -1 3 389.455 3.784 20 0 GHADHM Cc1ccc([C@@H](CNc2nc(C(F)(F)F)ccc2C(=O)[O-])N2CCCC2)o1 ZINC000910288209 851107979 /nfs/dbraw/zinc/10/79/79/851107979.db2.gz MHYRFDNDSNKDHL-CYBMUJFWSA-N -1 3 383.370 3.949 20 0 GHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc(Cl)cc(Br)c2F)n1 ZINC000436025714 851113337 /nfs/dbraw/zinc/11/33/37/851113337.db2.gz NGECOLAJFCGPAN-UHFFFAOYSA-N -1 3 375.629 3.840 20 0 GHADHM Cc1nc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1C(=O)[O-] ZINC000910293108 851126152 /nfs/dbraw/zinc/12/61/52/851126152.db2.gz YWEXUYISOMESIN-OAHLLOKOSA-N -1 3 379.382 3.793 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCOc4ccccc43)cc2)cc(=O)[n-]1 ZINC000519492935 851136039 /nfs/dbraw/zinc/13/60/39/851136039.db2.gz BMDMKKATSSHTAN-MRXNPFEDSA-N -1 3 390.443 3.845 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000519493081 851136571 /nfs/dbraw/zinc/13/65/71/851136571.db2.gz FRKJBDYAZIITFL-NSHDSACASA-N -1 3 389.370 3.689 20 0 GHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000729438048 851150291 /nfs/dbraw/zinc/15/02/91/851150291.db2.gz AJPRBWYBTOUEKY-KGLIPLIRSA-N -1 3 398.544 3.942 20 0 GHADHM COCCc1cc(O)ccc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000436101284 851197755 /nfs/dbraw/zinc/19/77/55/851197755.db2.gz NXTOWMGPYYLBRG-UHFFFAOYSA-N -1 3 394.431 3.696 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)s1 ZINC000436159067 851272584 /nfs/dbraw/zinc/27/25/84/851272584.db2.gz ZKFBNFRBAUGNMA-UHFFFAOYSA-N -1 3 376.873 3.928 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c(C(F)(F)F)n1 ZINC000436161599 851274215 /nfs/dbraw/zinc/27/42/15/851274215.db2.gz LHTQDMVSYZTDPR-AATRIKPKSA-N -1 3 383.355 3.789 20 0 GHADHM O=C(Cc1csc2ccc(Br)cc12)NCc1ncccc1[O-] ZINC000473640137 851332616 /nfs/dbraw/zinc/33/26/16/851332616.db2.gz RQFBSTGAHOAEEI-UHFFFAOYSA-N -1 3 377.263 3.623 20 0 GHADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000436356694 851497197 /nfs/dbraw/zinc/49/71/97/851497197.db2.gz WKBVQSXUDXBZCE-INIZCTEOSA-N -1 3 381.398 3.850 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)sc1Br ZINC000555946120 862257250 /nfs/dbraw/zinc/25/72/50/862257250.db2.gz ZTGXEXYMNCSQQO-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c2cccs2)CC1 ZINC000911100214 851571526 /nfs/dbraw/zinc/57/15/26/851571526.db2.gz BNBQWSIONQXHEM-IXDOHACOSA-N -1 3 378.538 3.528 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3sccc3Cl)[n-]c(=O)c21 ZINC000505506011 851603939 /nfs/dbraw/zinc/60/39/39/851603939.db2.gz JIIUHTWQTXHMAF-UHFFFAOYSA-N -1 3 381.866 3.833 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2)CC1 ZINC000911245897 851641297 /nfs/dbraw/zinc/64/12/97/851641297.db2.gz DSRNDQWYNHMOMC-HXUWFJFHSA-N -1 3 384.451 3.727 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911300791 851673621 /nfs/dbraw/zinc/67/36/21/851673621.db2.gz UZNWWKTYTXNOHQ-UHFFFAOYSA-N -1 3 380.916 3.655 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000101603052 851723100 /nfs/dbraw/zinc/72/31/00/851723100.db2.gz RYKTYNZMXNEXJA-UHFFFAOYSA-N -1 3 385.423 3.901 20 0 GHADHM CC(C)N1CCN(c2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2)CC1 ZINC000911552769 851783668 /nfs/dbraw/zinc/78/36/68/851783668.db2.gz MPWGULMGMSAJRF-UHFFFAOYSA-N -1 3 387.524 3.581 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000911855951 851936190 /nfs/dbraw/zinc/93/61/90/851936190.db2.gz YCIIPFZGTCTETP-UHFFFAOYSA-N -1 3 377.897 3.643 20 0 GHADHM CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCCC1 ZINC000517490809 852016976 /nfs/dbraw/zinc/01/69/76/852016976.db2.gz SSZVWRXTSQGOTO-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489126057 852029513 /nfs/dbraw/zinc/02/95/13/852029513.db2.gz GWYQRFLQJNAJBG-VIFPVBQESA-N -1 3 383.388 3.695 20 0 GHADHM COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000436553886 852041719 /nfs/dbraw/zinc/04/17/19/852041719.db2.gz ICGIYIUMRPFGFV-SFHVURJKSA-N -1 3 381.428 3.600 20 0 GHADHM Cc1ncc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436556337 852045543 /nfs/dbraw/zinc/04/55/43/852045543.db2.gz KJYPLZHDPWBAQD-QGZVFWFLSA-N -1 3 381.457 3.657 20 0 GHADHM CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436538945 852048535 /nfs/dbraw/zinc/04/85/35/852048535.db2.gz MGBJDTZZGJDRFZ-UHFFFAOYSA-N -1 3 377.238 3.982 20 0 GHADHM CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436541624 852053350 /nfs/dbraw/zinc/05/33/50/852053350.db2.gz WYXKHTBOXXAZTH-UHFFFAOYSA-N -1 3 384.480 3.728 20 0 GHADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436541624 852053356 /nfs/dbraw/zinc/05/33/56/852053356.db2.gz WYXKHTBOXXAZTH-UHFFFAOYSA-N -1 3 384.480 3.728 20 0 GHADHM Cn1c(=O)oc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc21 ZINC000436543995 852056305 /nfs/dbraw/zinc/05/63/05/852056305.db2.gz NTQAYRQONUSNQQ-UHFFFAOYSA-N -1 3 390.395 3.668 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000436544131 852058817 /nfs/dbraw/zinc/05/88/17/852058817.db2.gz KIIWPFFGUCAUIS-UHFFFAOYSA-N -1 3 382.851 3.851 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4c(cc3O)CCCC4)cc2)n1 ZINC000436545992 852059034 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GHADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCOCC1 ZINC000785399728 852100648 /nfs/dbraw/zinc/10/06/48/852100648.db2.gz ZCKPMYUUWZXANK-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM COC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(F)cc1 ZINC000466564335 862320527 /nfs/dbraw/zinc/32/05/27/862320527.db2.gz HCDVUXMIILFTQE-LJQANCHMSA-N -1 3 396.422 3.806 20 0 GHADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnc2ccccn21 ZINC000436607307 852107153 /nfs/dbraw/zinc/10/71/53/852107153.db2.gz RRIAORRLPQVCKT-MRXNPFEDSA-N -1 3 386.455 3.711 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Oc3ccccn3)c2)c([O-])c1 ZINC000436638416 852132916 /nfs/dbraw/zinc/13/29/16/852132916.db2.gz HVDKHGDIOSBEGN-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM C[C@@H](CCCc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436653665 852143567 /nfs/dbraw/zinc/14/35/67/852143567.db2.gz BZXRBFNGBYNEJX-SFHVURJKSA-N -1 3 394.515 3.772 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])c2)cs1 ZINC000436666478 852164254 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Cc1ccc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000436914888 852492989 /nfs/dbraw/zinc/49/29/89/852492989.db2.gz NLSUUOAQEONGBM-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM CC(C)(C)c1ncsc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436917992 852497848 /nfs/dbraw/zinc/49/78/48/852497848.db2.gz ZKANCVAYYRSGOW-UHFFFAOYSA-N -1 3 377.857 3.837 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436920698 852501694 /nfs/dbraw/zinc/50/16/94/852501694.db2.gz QJYBBAKJFLJCDL-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)c([O-])c1 ZINC000436922457 852504698 /nfs/dbraw/zinc/50/46/98/852504698.db2.gz YFPPXRGLYKOVKN-LLVKDONJSA-N -1 3 394.269 3.615 20 0 GHADHM O=C(N1CCN(Cc2c(F)ccc([O-])c2F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000507067572 852515463 /nfs/dbraw/zinc/51/54/63/852515463.db2.gz MSMIPGNMJDMISZ-UHFFFAOYSA-N -1 3 390.474 3.531 20 0 GHADHM O=C(c1ccccc1[O-])N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000436933994 852516334 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GHADHM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000517963831 852665539 /nfs/dbraw/zinc/66/55/39/852665539.db2.gz ZIGPXLZRSJIWMK-UHFFFAOYSA-N -1 3 387.423 3.898 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000427084543 852701131 /nfs/dbraw/zinc/70/11/31/852701131.db2.gz LXALFAACSFZZOB-UHFFFAOYSA-N -1 3 397.438 3.582 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427084543 852701135 /nfs/dbraw/zinc/70/11/35/852701135.db2.gz LXALFAACSFZZOB-UHFFFAOYSA-N -1 3 397.438 3.582 20 0 GHADHM CCN(Cc1ccc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)cc1)C1CC1 ZINC000490358574 852977350 /nfs/dbraw/zinc/97/73/50/852977350.db2.gz AAKNKFOTHMDFID-QXMHVHEDSA-N -1 3 394.500 3.960 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000518172272 852997112 /nfs/dbraw/zinc/99/71/12/852997112.db2.gz PWPCJLOXFWQFHW-QFBILLFUSA-N -1 3 388.464 3.545 20 0 GHADHM Cc1ccc(-c2cnc(CN3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)o2)cc1 ZINC000289391607 852997170 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C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc2c(c1)CCCC2 ZINC000913297946 853208751 /nfs/dbraw/zinc/20/87/51/853208751.db2.gz AZUCRCGGHSZRHI-CQSZACIVSA-N -1 3 393.443 3.583 20 0 GHADHM C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000913297946 853208760 /nfs/dbraw/zinc/20/87/60/853208760.db2.gz AZUCRCGGHSZRHI-CQSZACIVSA-N -1 3 393.443 3.583 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000913301765 853211987 /nfs/dbraw/zinc/21/19/87/853211987.db2.gz AOUJIHHEYWUCPG-HXUWFJFHSA-N -1 3 393.443 3.979 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000913301765 853211991 /nfs/dbraw/zinc/21/19/91/853211991.db2.gz AOUJIHHEYWUCPG-HXUWFJFHSA-N -1 3 393.443 3.979 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC(Cc3cccs3)C2)s1 ZINC000913337770 853257892 /nfs/dbraw/zinc/25/78/92/853257892.db2.gz NDDPQWDQAJCNRT-UHFFFAOYSA-N -1 3 379.507 3.866 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1C ZINC000481873500 862457225 /nfs/dbraw/zinc/45/72/25/862457225.db2.gz WUPNKUWGUBBLHB-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nnn(C(C)C)n1 ZINC000913490724 853397583 /nfs/dbraw/zinc/39/75/83/853397583.db2.gz BGFDGLJDPARUQH-UHFFFAOYSA-N -1 3 381.223 3.777 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000519726173 853411331 /nfs/dbraw/zinc/41/13/31/853411331.db2.gz NFFBGYYQWBJQHP-UHFFFAOYSA-N -1 3 393.679 3.807 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437855820 853608398 /nfs/dbraw/zinc/60/83/98/853608398.db2.gz ZSSDHRCGMISMTB-WMLDXEAASA-N -1 3 397.541 3.889 20 0 GHADHM CCc1ccc(NC(=S)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000054984307 853624600 /nfs/dbraw/zinc/62/46/00/853624600.db2.gz QAEWUHMAALTYAY-UHFFFAOYSA-N -1 3 393.534 3.828 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000571033804 853698916 /nfs/dbraw/zinc/69/89/16/853698916.db2.gz YMPQQUJGHLHZMV-NVXWUHKLSA-N -1 3 393.409 3.813 20 0 GHADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000517392052 853734657 /nfs/dbraw/zinc/73/46/57/853734657.db2.gz SNNJUGQUYVPAOQ-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3nccc(C)c3c2)cc1OC ZINC000507734325 853847975 /nfs/dbraw/zinc/84/79/75/853847975.db2.gz VMSJKVOYVCUPLI-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccco1 ZINC000520134578 853886855 /nfs/dbraw/zinc/88/68/55/853886855.db2.gz FGYBUDQNPGVXQB-ZDUSSCGKSA-N -1 3 391.320 3.948 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000588174960 854200650 /nfs/dbraw/zinc/20/06/50/854200650.db2.gz WQVYYWZHDQVPET-AWEZNQCLSA-N -1 3 376.400 3.986 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481935801 862540732 /nfs/dbraw/zinc/54/07/32/862540732.db2.gz OSCDTAFJKWVDNM-UHFFFAOYSA-N -1 3 375.354 3.521 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)sc1Cl ZINC000473902642 854210498 /nfs/dbraw/zinc/21/04/98/854210498.db2.gz PLIMWBYLJOYEBZ-UHFFFAOYSA-N -1 3 381.853 3.832 20 0 GHADHM O=C(CCC(=O)c1csc2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000152290749 854278467 /nfs/dbraw/zinc/27/84/67/854278467.db2.gz YQBRPIJMZZSSIV-UHFFFAOYSA-N -1 3 377.429 3.683 20 0 GHADHM O=C(CCC(=O)c1csc2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000152290749 854278475 /nfs/dbraw/zinc/27/84/75/854278475.db2.gz YQBRPIJMZZSSIV-UHFFFAOYSA-N -1 3 377.429 3.683 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(F)c(F)c1 ZINC000473942074 854378384 /nfs/dbraw/zinc/37/83/84/854378384.db2.gz DMTRVSIJWFCHOE-LBPRGKRZSA-N -1 3 381.853 3.654 20 0 GHADHM CC[C@@H](Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)c1ccc(F)cc1 ZINC000133487482 862567495 /nfs/dbraw/zinc/56/74/95/862567495.db2.gz SKYDWBUOUSZFNC-CQSZACIVSA-N -1 3 387.436 3.796 20 0 GHADHM CCn1ccnc1CN[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000623993492 862570194 /nfs/dbraw/zinc/57/01/94/862570194.db2.gz UCFOMDWSFJPFAY-INIZCTEOSA-N -1 3 384.505 3.555 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cnn(-c3ccc(C)cc3)c2C)[nH][n-]1 ZINC000588926988 854597224 /nfs/dbraw/zinc/59/72/24/854597224.db2.gz IAURKCJHMXGVSF-UHFFFAOYSA-N -1 3 387.443 3.562 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccc3Br)nc2)n1 ZINC000068623174 854602044 /nfs/dbraw/zinc/60/20/44/854602044.db2.gz KUXWFJCTKYWJFI-UHFFFAOYSA-N -1 3 399.292 3.793 20 0 GHADHM Cc1nc(C)c(CC(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)c(=O)[n-]1 ZINC000056379694 854664976 /nfs/dbraw/zinc/66/49/76/854664976.db2.gz KFFUXBLWPASTCS-HNNXBMFYSA-N -1 3 375.472 3.835 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccc(OC(C)C)cc3C)c([O-])c2c(OC)c1 ZINC000624429133 854795362 /nfs/dbraw/zinc/79/53/62/854795362.db2.gz BTVYFZZINKRMPU-UHFFFAOYSA-N -1 3 396.443 3.893 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H]1C1CC1)c1cccc(OC(F)(F)F)c1F ZINC001212158004 854871470 /nfs/dbraw/zinc/87/14/70/854871470.db2.gz HJAVSIDCYZYFCQ-NEPJUHHUSA-N -1 3 381.391 3.829 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c(C)c1 ZINC000589436629 854894075 /nfs/dbraw/zinc/89/40/75/854894075.db2.gz JJKXJVMYSRKOBW-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(CCCc2ccccc2)c1 ZINC000589693595 855111407 /nfs/dbraw/zinc/11/14/07/855111407.db2.gz AZCWGZBNYCXKMX-UHFFFAOYSA-N -1 3 388.467 3.936 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)c(C)c1C ZINC000604972367 862650278 /nfs/dbraw/zinc/65/02/78/862650278.db2.gz STTSYQFCCXZTAJ-UHFFFAOYSA-N -1 3 383.473 3.878 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cccc(Cl)c2C)o1 ZINC000186424166 855210356 /nfs/dbraw/zinc/21/03/56/855210356.db2.gz YVTITNPRUCZOMB-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000055584350 855352630 /nfs/dbraw/zinc/35/26/30/855352630.db2.gz FQXXFWVMAMLVRB-MRXNPFEDSA-N -1 3 394.880 3.567 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000055638563 855366147 /nfs/dbraw/zinc/36/61/47/855366147.db2.gz INMFZDQHBHZSPR-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000190587387 855464355 /nfs/dbraw/zinc/46/43/55/855464355.db2.gz AKBIKERZESRDKT-AREMUKBSSA-N -1 3 375.490 3.581 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(-c2cccc(C)c2)c1 ZINC001128101149 855542559 /nfs/dbraw/zinc/54/25/59/855542559.db2.gz SQZWEMCRJVEWLD-UHFFFAOYSA-N -1 3 392.411 3.816 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000520508427 855561955 /nfs/dbraw/zinc/56/19/55/855561955.db2.gz AIEGFEDAIPKDAT-UHFFFAOYSA-N -1 3 399.505 3.636 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000520508427 855561963 /nfs/dbraw/zinc/56/19/63/855561963.db2.gz AIEGFEDAIPKDAT-UHFFFAOYSA-N -1 3 399.505 3.636 20 0 GHADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000180975330 862697255 /nfs/dbraw/zinc/69/72/55/862697255.db2.gz ZIKLNURCMJSSKU-UHFFFAOYSA-N -1 3 398.500 3.623 20 0 GHADHM O=S(=O)([N-]CC1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000614606709 855732624 /nfs/dbraw/zinc/73/26/24/855732624.db2.gz IIMKTEXLBKLZIL-UHFFFAOYSA-N -1 3 386.233 3.936 20 0 GHADHM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)c1ccc(OC)c(F)c1 ZINC001128109821 855801725 /nfs/dbraw/zinc/80/17/25/855801725.db2.gz RMLMGKQTCOYXON-QGZVFWFLSA-N -1 3 395.377 3.655 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000765881470 855883890 /nfs/dbraw/zinc/88/38/90/855883890.db2.gz RPKUGWHLFNDXHX-UHFFFAOYSA-N -1 3 392.253 3.743 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000542799308 855887824 /nfs/dbraw/zinc/88/78/24/855887824.db2.gz CNFFEWYNZQAATJ-AAEUAGOBSA-N -1 3 386.926 3.557 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000542799309 855888058 /nfs/dbraw/zinc/88/80/58/855888058.db2.gz CNFFEWYNZQAATJ-DGCLKSJQSA-N -1 3 386.926 3.557 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(Cl)cc3cccnc32)[nH][n-]1 ZINC000591448390 855994294 /nfs/dbraw/zinc/99/42/94/855994294.db2.gz DYDXVRKHWGOYMN-UHFFFAOYSA-N -1 3 378.819 3.961 20 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C[C@]12CN([C@@H](C(=O)[O-])c3ccc(Br)cc3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903945503 856476554 /nfs/dbraw/zinc/47/65/54/856476554.db2.gz UZNYRVMMAYTWRP-OHYMWDFDSA-N -1 3 380.257 3.858 20 0 GHADHM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccccc3OCc3ccccn3)C2)s1 ZINC000905749398 856503500 /nfs/dbraw/zinc/50/35/00/856503500.db2.gz MFVNHNAYOACGJE-MRXNPFEDSA-N -1 3 395.484 3.805 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CN1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000905738694 856528436 /nfs/dbraw/zinc/52/84/36/856528436.db2.gz HFJLRSKVGGJVAD-UHFFFAOYSA-N -1 3 381.398 3.718 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000573792805 856532789 /nfs/dbraw/zinc/53/27/89/856532789.db2.gz HCFHSOAFVOEWOP-UHFFFAOYSA-N -1 3 390.443 3.713 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cc2cccnc21 ZINC000427657296 856538475 /nfs/dbraw/zinc/53/84/75/856538475.db2.gz OHGAOHFPSUGDBF-UHFFFAOYSA-N -1 3 380.828 3.978 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CSc2ccccc21 ZINC000485487000 856642615 /nfs/dbraw/zinc/64/26/15/856642615.db2.gz HWEXIZZQQVLRBP-CYBMUJFWSA-N -1 3 379.279 3.801 20 0 GHADHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000472362367 856663460 /nfs/dbraw/zinc/66/34/60/856663460.db2.gz VVERUPNYMSOYID-CQSZACIVSA-N -1 3 398.484 3.875 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Br)s1)c1nccs1 ZINC000151456766 856668166 /nfs/dbraw/zinc/66/81/66/856668166.db2.gz IGRMPQZFJVPVCF-NSHDSACASA-N -1 3 381.342 3.571 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C ZINC001212442534 856681633 /nfs/dbraw/zinc/68/16/33/856681633.db2.gz MMJIVTXJCMQWHZ-UHFFFAOYSA-N -1 3 375.387 3.982 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000906062058 856784358 /nfs/dbraw/zinc/78/43/58/856784358.db2.gz LONMHIYPCSGGNX-UHFFFAOYSA-N -1 3 395.790 3.567 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000906062058 856784390 /nfs/dbraw/zinc/78/43/90/856784390.db2.gz LONMHIYPCSGGNX-UHFFFAOYSA-N -1 3 395.790 3.567 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234382 862838020 /nfs/dbraw/zinc/83/80/20/862838020.db2.gz XKVKMQYJLCVYCG-HIFRSBDPSA-N -1 3 399.292 3.929 20 0 GHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H]1COc2ccccc2O1 ZINC000046560255 856871288 /nfs/dbraw/zinc/87/12/88/856871288.db2.gz ZSCPFUNQSISHIW-AWEZNQCLSA-N -1 3 391.427 3.744 20 0 GHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@@H]1COc2ccccc2O1 ZINC000046560254 856871704 /nfs/dbraw/zinc/87/17/04/856871704.db2.gz ZSCPFUNQSISHIW-CQSZACIVSA-N -1 3 391.427 3.744 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(Br)c1 ZINC000485691478 856932045 /nfs/dbraw/zinc/93/20/45/856932045.db2.gz XQIKGBZFMVWBEO-LLVKDONJSA-N -1 3 397.294 3.563 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc3c(cnn3C(C)C)c2)c(C(=O)OCC)[n-]1 ZINC000485712372 856981301 /nfs/dbraw/zinc/98/13/01/856981301.db2.gz SQUFSPDHYCCHMZ-UHFFFAOYSA-N -1 3 398.467 3.507 20 0 GHADHM O=S(=O)([N-][C@H]1COc2c1cccc2Cl)c1ccc(Br)s1 ZINC000675131527 857034839 /nfs/dbraw/zinc/03/48/39/857034839.db2.gz YRPWVGIFBFOZTH-VIFPVBQESA-N -1 3 394.699 3.576 20 0 GHADHM Cc1ccc([O-])c(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000482277734 862878646 /nfs/dbraw/zinc/87/86/46/862878646.db2.gz MRSMVJCASPWCAG-QGZVFWFLSA-N -1 3 381.245 3.571 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001128210017 857257693 /nfs/dbraw/zinc/25/76/93/857257693.db2.gz OLEVKSJYHYMQKJ-FLIBITNWSA-N -1 3 384.432 3.537 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(F)cc1F ZINC000058511866 857320480 /nfs/dbraw/zinc/32/04/80/857320480.db2.gz DAGZSPHKVMKBFR-OAHLLOKOSA-N -1 3 389.370 3.922 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCC(C)(C)Cc3ccccc3)c(=O)c2c(OC)c1 ZINC000625706004 862904883 /nfs/dbraw/zinc/90/48/83/862904883.db2.gz WCKNJTPXOSGDAS-UHFFFAOYSA-N -1 3 394.471 3.544 20 0 GHADHM COc1ccccc1-c1nnc([N-]C(=O)c2ncccc2C(F)(F)F)s1 ZINC001129112354 857657477 /nfs/dbraw/zinc/65/74/77/857657477.db2.gz NDPOSWRZRMFFFE-UHFFFAOYSA-N -1 3 380.351 3.880 20 0 GHADHM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cnc(C2CC2)[n-]c1=O ZINC000907631722 857708961 /nfs/dbraw/zinc/70/89/61/857708961.db2.gz YEBLUNGFXUUGIM-UHFFFAOYSA-N -1 3 395.356 3.679 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2ccccn2)[nH]c1=O ZINC000521208234 857733875 /nfs/dbraw/zinc/73/38/75/857733875.db2.gz HFQNTWBPNOMCGC-UHFFFAOYSA-N -1 3 386.205 3.570 20 0 GHADHM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cnc(C2CC2)[n-]c1=O ZINC000907720771 857752499 /nfs/dbraw/zinc/75/24/99/857752499.db2.gz HJSWVDXEOJBHAD-GFCCVEGCSA-N -1 3 380.231 3.620 20 0 GHADHM CCCCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000065114231 857774014 /nfs/dbraw/zinc/77/40/14/857774014.db2.gz NWYJFUHPAFKDHU-IBGZPJMESA-N -1 3 382.460 3.814 20 0 GHADHM CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521388 857776560 /nfs/dbraw/zinc/77/65/60/857776560.db2.gz DQTFRVKIAVXDEL-CYBMUJFWSA-N -1 3 392.868 3.608 20 0 GHADHM CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000065636563 857829171 /nfs/dbraw/zinc/82/91/71/857829171.db2.gz KYFJVDANXWZZTJ-UHFFFAOYSA-N -1 3 384.860 3.680 20 0 GHADHM O=S(=O)([N-]Cc1ccoc1)c1csc(-c2cccc(Br)c2)n1 ZINC000594026802 857843866 /nfs/dbraw/zinc/84/38/66/857843866.db2.gz BKMLWKTUNQFGRJ-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM O=C(NCc1cccc(Oc2ccccc2)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065798039 857852004 /nfs/dbraw/zinc/85/20/04/857852004.db2.gz MYXHOULOWWQJLR-UHFFFAOYSA-N -1 3 387.395 3.684 20 0 GHADHM CCCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CCN(Cc2ccccc2)CC1 ZINC000908090860 857913743 /nfs/dbraw/zinc/91/37/43/857913743.db2.gz GPDYAXAEVSXOSM-LUAWRHEFSA-N -1 3 396.487 3.894 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)c1F ZINC001212487884 857923535 /nfs/dbraw/zinc/92/35/35/857923535.db2.gz JCHNZNOYYIUTNX-CQSZACIVSA-N -1 3 387.448 3.533 20 0 GHADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000486636790 857928360 /nfs/dbraw/zinc/92/83/60/857928360.db2.gz GQALJYGPZJUQOS-IUCAKERBSA-N -1 3 377.297 3.665 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CC(C)(C)CC(=O)c3ccccc3)nc21 ZINC000442635369 858000607 /nfs/dbraw/zinc/00/06/07/858000607.db2.gz PGPVSXMNEHKZHU-UHFFFAOYSA-N -1 3 393.443 3.977 20 0 GHADHM CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145394 858004262 /nfs/dbraw/zinc/00/42/62/858004262.db2.gz DNPLQROGXWDBAE-INIZCTEOSA-N -1 3 388.851 3.688 20 0 GHADHM O=S(=O)([N-]CCOC1CCCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000605320249 862985436 /nfs/dbraw/zinc/98/54/36/862985436.db2.gz QJSJXITUWPOMTO-UHFFFAOYSA-N -1 3 383.407 3.862 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Sc1ccccc1 ZINC000442769848 858129133 /nfs/dbraw/zinc/12/91/33/858129133.db2.gz OHVKWLSQNSBGIE-NSHDSACASA-N -1 3 376.425 3.560 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000078613013 858133791 /nfs/dbraw/zinc/13/37/91/858133791.db2.gz MUDWPOGQMCTKRG-UHFFFAOYSA-N -1 3 379.331 3.663 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cnccc1C(F)(F)F ZINC000442908432 858216951 /nfs/dbraw/zinc/21/69/51/858216951.db2.gz NCPQGXCEKBTNJL-GFCCVEGCSA-N -1 3 392.399 3.755 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC2(c3ccccc3)CCCCCC2)c(=O)[n-]1 ZINC000066684874 858246159 /nfs/dbraw/zinc/24/61/59/858246159.db2.gz XQNIWTTUURNZGM-UHFFFAOYSA-N -1 3 381.520 3.728 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000521761241 858306412 /nfs/dbraw/zinc/30/64/12/858306412.db2.gz WFRJYEOYPDOZGS-UHFFFAOYSA-N -1 3 381.398 3.798 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1ccco1 ZINC000443011114 858309551 /nfs/dbraw/zinc/30/95/51/858309551.db2.gz BUTBFYWGHGQVBE-HXUWFJFHSA-N -1 3 387.457 3.673 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)s1 ZINC000521767942 858313257 /nfs/dbraw/zinc/31/32/57/858313257.db2.gz XRUOJVJCANKYRC-CQSZACIVSA-N -1 3 379.503 3.626 20 0 GHADHM CC[C@@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccccc1OC(F)F ZINC000046684540 858322381 /nfs/dbraw/zinc/32/23/81/858322381.db2.gz KCXWKKPLUVHSDN-CQSZACIVSA-N -1 3 381.354 3.522 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000443043403 858327376 /nfs/dbraw/zinc/32/73/76/858327376.db2.gz ZSVMAXVXNHXWGC-OAHLLOKOSA-N -1 3 395.349 3.864 20 0 GHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000443086459 858345095 /nfs/dbraw/zinc/34/50/95/858345095.db2.gz NDGMIRQUOBTDRX-MRXNPFEDSA-N -1 3 396.534 3.729 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1 ZINC000443101858 858360501 /nfs/dbraw/zinc/36/05/01/858360501.db2.gz JWDYHVYOBQFWCH-SNVBAGLBSA-N -1 3 388.272 3.820 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCC2 ZINC001212507115 858362716 /nfs/dbraw/zinc/36/27/16/858362716.db2.gz NXQWPYWNHBWKIL-HUUCEWRRSA-N -1 3 375.893 3.884 20 0 GHADHM CCOc1cc(-c2noc(CN3CCC(C)CC3)n2)cc(Br)c1[O-] ZINC000443094277 858372534 /nfs/dbraw/zinc/37/25/34/858372534.db2.gz KSYODNJXXVTFQM-UHFFFAOYSA-N -1 3 396.285 3.835 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cc(Br)ccc1F ZINC000443098882 858377509 /nfs/dbraw/zinc/37/75/09/858377509.db2.gz BNNQRLBFXMUMBF-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)ccc1F ZINC000521909820 858436482 /nfs/dbraw/zinc/43/64/82/858436482.db2.gz SFLUKCROUSCFLF-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM CCc1ccccc1OCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000508413412 858436607 /nfs/dbraw/zinc/43/66/07/858436607.db2.gz ZYFJBLXJSOSOGT-UHFFFAOYSA-N -1 3 377.444 3.715 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)nc2ccccc12 ZINC000521915620 858444121 /nfs/dbraw/zinc/44/41/21/858444121.db2.gz VOKJXITZURUTLP-UHFFFAOYSA-N -1 3 396.497 3.540 20 0 GHADHM COc1cc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)cc(Cl)c1[O-] ZINC000443221601 858483216 /nfs/dbraw/zinc/48/32/16/858483216.db2.gz LUCNMQRNGSXDRL-UHFFFAOYSA-N -1 3 377.803 3.972 20 0 GHADHM O=C(Nc1ccc2ccoc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000443362387 858607295 /nfs/dbraw/zinc/60/72/95/858607295.db2.gz PSWJUFTZRBUFBX-UHFFFAOYSA-N -1 3 379.416 3.565 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C(C)(C)C ZINC000443365106 858609865 /nfs/dbraw/zinc/60/98/65/858609865.db2.gz CEVNIRQUTJLIIF-SFHVURJKSA-N -1 3 393.480 3.986 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000522124386 858632370 /nfs/dbraw/zinc/63/23/70/858632370.db2.gz LIMKHLUOVCKCPQ-MRXNPFEDSA-N -1 3 390.505 3.664 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Br)s2)c1 ZINC000443398410 858640264 /nfs/dbraw/zinc/64/02/64/858640264.db2.gz MNABIHVSUFUOPA-MRVPVSSYSA-N -1 3 383.267 3.666 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1cccc(Cl)c1F ZINC000522135278 858667566 /nfs/dbraw/zinc/66/75/66/858667566.db2.gz DRYQVXKKYXZNEE-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2sccc2s1 ZINC000522170264 858693188 /nfs/dbraw/zinc/69/31/88/858693188.db2.gz ZZFRDVVPNNFZCM-UHFFFAOYSA-N -1 3 386.498 3.703 20 0 GHADHM CCn1nc(C)c([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1C ZINC000172905041 858731005 /nfs/dbraw/zinc/73/10/05/858731005.db2.gz FJAXNBPEFVMTCC-UHFFFAOYSA-N -1 3 397.447 3.850 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2c(OC(F)F)ccc3ccccc32)n[n-]1 ZINC000895235473 858843408 /nfs/dbraw/zinc/84/34/08/858843408.db2.gz IQUAGJUWKYJLEC-NSHDSACASA-N -1 3 390.390 3.587 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2c(OC(F)F)ccc3ccccc32)[n-]1 ZINC000895235473 858843425 /nfs/dbraw/zinc/84/34/25/858843425.db2.gz IQUAGJUWKYJLEC-NSHDSACASA-N -1 3 390.390 3.587 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2c(OC(F)F)ccc3ccccc32)n1 ZINC000895235473 858843432 /nfs/dbraw/zinc/84/34/32/858843432.db2.gz IQUAGJUWKYJLEC-NSHDSACASA-N -1 3 390.390 3.587 20 0 GHADHM COc1cc(Br)ccc1CCCS(=O)(=O)c1cccc([O-])c1 ZINC000184002429 858857378 /nfs/dbraw/zinc/85/73/78/858857378.db2.gz PCWWHDSMHUVBLJ-UHFFFAOYSA-N -1 3 385.279 3.570 20 0 GHADHM O=C([O-])C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccs1 ZINC000315417327 858893407 /nfs/dbraw/zinc/89/34/07/858893407.db2.gz JHELDABYXKPYOJ-LLVKDONJSA-N -1 3 384.251 3.545 20 0 GHADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000474089712 858927827 /nfs/dbraw/zinc/92/78/27/858927827.db2.gz UCKHFXIJHLITTE-HNAYVOBHSA-N -1 3 390.505 3.795 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(OCC(F)(F)F)o2)c1F ZINC001271138728 858930491 /nfs/dbraw/zinc/93/04/91/858930491.db2.gz BCDICIRVSYHGDF-UHFFFAOYSA-N -1 3 379.237 3.538 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1nccs1 ZINC000116376705 858954868 /nfs/dbraw/zinc/95/48/68/858954868.db2.gz MNQAPJJUUPMYQK-UHFFFAOYSA-N -1 3 395.731 3.773 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000509301134 858992373 /nfs/dbraw/zinc/99/23/73/858992373.db2.gz BCHHJTJZTCOTBX-UHFFFAOYSA-N -1 3 375.450 3.635 20 0 GHADHM Cc1ncc(CNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000543611635 859001851 /nfs/dbraw/zinc/00/18/51/859001851.db2.gz IKBADQBKDSGXBV-GDBMZVCRSA-N -1 3 396.274 3.582 20 0 GHADHM Cc1ccc(CCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(Br)c1 ZINC000483126095 859166625 /nfs/dbraw/zinc/16/66/25/859166625.db2.gz YLKIKFRFQXHIHT-UHFFFAOYSA-N -1 3 385.265 3.536 20 0 GHADHM Cc1ncc(CNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c(=O)[n-]1 ZINC000543315419 859248044 /nfs/dbraw/zinc/24/80/44/859248044.db2.gz IRQWCRDDHZWCFG-UHFFFAOYSA-N -1 3 397.862 3.582 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)ccc1F ZINC000509389895 859277157 /nfs/dbraw/zinc/27/71/57/859277157.db2.gz VUMIJNWMVCZRSH-UHFFFAOYSA-N -1 3 390.358 3.826 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000923468559 859345432 /nfs/dbraw/zinc/34/54/32/859345432.db2.gz CPFAJVRIVPNFPT-GOSISDBHSA-N -1 3 398.297 3.687 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(Cl)cc3Br)n[n-]2)o1 ZINC000764341847 859401891 /nfs/dbraw/zinc/40/18/91/859401891.db2.gz LTOZJAVWPKWRGG-UHFFFAOYSA-N -1 3 395.644 3.970 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@H]2CCCc3ccccc32)c1 ZINC000113987852 859437948 /nfs/dbraw/zinc/43/79/48/859437948.db2.gz URYLFYGSPRHZFN-NRFANRHFSA-N -1 3 382.460 3.565 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000483549789 859443254 /nfs/dbraw/zinc/44/32/54/859443254.db2.gz IGOKLFGAPJHPQX-AWEZNQCLSA-N -1 3 392.385 3.742 20 0 GHADHM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)ccn1 ZINC000011683265 859446137 /nfs/dbraw/zinc/44/61/37/859446137.db2.gz CEYVMAFZEWJUFE-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1c(Cl)cccc1Br ZINC000509208800 859454641 /nfs/dbraw/zinc/45/46/41/859454641.db2.gz GBGHGQJQWUAYCB-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000483555420 859457750 /nfs/dbraw/zinc/45/77/50/859457750.db2.gz SASYUTRYQAYOSK-OAHLLOKOSA-N -1 3 395.429 3.768 20 0 GHADHM Cc1nc([C@@H]([N-]C(=O)C(F)(F)C2(O)CCCCC2)c2ccc(Cl)cc2)no1 ZINC000764646657 859553097 /nfs/dbraw/zinc/55/30/97/859553097.db2.gz DJFDIXALENLATC-AWEZNQCLSA-N -1 3 399.825 3.568 20 0 GHADHM CCOc1ccc2cc(C(=O)NCc3ccc([O-])c(Br)c3)[nH]c2c1 ZINC000488681002 859574403 /nfs/dbraw/zinc/57/44/03/859574403.db2.gz ZFORNCJMLJXIAU-UHFFFAOYSA-N -1 3 389.249 3.965 20 0 GHADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000611342987 859719710 /nfs/dbraw/zinc/71/97/10/859719710.db2.gz NWGVTJVIWIKGLK-UHFFFAOYSA-N -1 3 382.309 3.784 20 0 GHADHM CO[C@H](C)CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761235235 859742784 /nfs/dbraw/zinc/74/27/84/859742784.db2.gz MXMSYJBYJXIENR-CQSZACIVSA-N -1 3 395.452 3.517 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)n1 ZINC000469811057 859889507 /nfs/dbraw/zinc/88/95/07/859889507.db2.gz UATJODDYRHAKOJ-GFCCVEGCSA-N -1 3 380.473 3.784 20 0 GHADHM O=C(OCc1ccoc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000727042760 859897335 /nfs/dbraw/zinc/89/73/35/859897335.db2.gz BZKGGUMDLUFOPU-UHFFFAOYSA-N -1 3 375.377 3.577 20 0 GHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000474368140 859953388 /nfs/dbraw/zinc/95/33/88/859953388.db2.gz AUVRKDZLWWXWOP-UHFFFAOYSA-N -1 3 385.363 3.939 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2c(F)ccc([O-])c2F)C1 ZINC000895856640 860009578 /nfs/dbraw/zinc/00/95/78/860009578.db2.gz VDGUQAWGKPGRIS-LLVKDONJSA-N -1 3 392.393 3.652 20 0 GHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000154284359 860049775 /nfs/dbraw/zinc/04/97/75/860049775.db2.gz QCSTVJFSRFRUPE-UHFFFAOYSA-N -1 3 396.534 3.646 20 0 GHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000154284359 860049786 /nfs/dbraw/zinc/04/97/86/860049786.db2.gz QCSTVJFSRFRUPE-UHFFFAOYSA-N -1 3 396.534 3.646 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(COc3ccccc3)c2)c1 ZINC000115735614 860116387 /nfs/dbraw/zinc/11/63/87/860116387.db2.gz HILULXAMQJWWDB-UHFFFAOYSA-N -1 3 390.439 3.860 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)cc1C ZINC000673567862 860168956 /nfs/dbraw/zinc/16/89/56/860168956.db2.gz GCAWAKOUNFBSEQ-HNNXBMFYSA-N -1 3 377.510 3.915 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000527468249 860181168 /nfs/dbraw/zinc/18/11/68/860181168.db2.gz ZHQUREJGMPQSKT-UZUQRXQVSA-N -1 3 390.483 3.565 20 0 GHADHM CC(C)[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Nc1ccccc1 ZINC000904207351 860209054 /nfs/dbraw/zinc/20/90/54/860209054.db2.gz NPXQPPXFJGGFAL-FQEVSTJZSA-N -1 3 385.508 3.807 20 0 GHADHM O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000530320160 860222591 /nfs/dbraw/zinc/22/25/91/860222591.db2.gz GNGSOMUFUYQXEN-MRXNPFEDSA-N -1 3 391.345 3.907 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CC[C@H](C(F)(F)F)O3)nc2)n1 ZINC000896010520 860237160 /nfs/dbraw/zinc/23/71/60/860237160.db2.gz ITKLNFSMRPGDGC-UONOGXRCSA-N -1 3 382.386 3.719 20 0 GHADHM CCN(CCC(F)(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753777 860258203 /nfs/dbraw/zinc/25/82/03/860258203.db2.gz YOSICIJKWXKGRO-UHFFFAOYSA-N -1 3 391.187 3.705 20 0 GHADHM CCC[C@@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H](O)c1ccccc1 ZINC000904235191 860273816 /nfs/dbraw/zinc/27/38/16/860273816.db2.gz FLWFVHFODMACCE-TZIWHRDSSA-N -1 3 386.492 3.573 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(OC(=O)c3cc(Cl)c(Cl)[n-]3)cc2)cn1 ZINC000727808052 860277802 /nfs/dbraw/zinc/27/78/02/860277802.db2.gz UULRXQZJPHLXHB-UHFFFAOYSA-N -1 3 379.203 3.527 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1 ZINC000097377066 860280668 /nfs/dbraw/zinc/28/06/68/860280668.db2.gz VWPSCKFSMZWLAM-UHFFFAOYSA-N -1 3 392.459 3.971 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000484755652 860324375 /nfs/dbraw/zinc/32/43/75/860324375.db2.gz MFVGWSMRTTXGLF-ZDUSSCGKSA-N -1 3 386.395 3.733 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000024437361 860325455 /nfs/dbraw/zinc/32/54/55/860325455.db2.gz ZOWVKXOHNAPWCC-UHFFFAOYSA-N -1 3 376.478 3.752 20 0 GHADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000484800271 860359362 /nfs/dbraw/zinc/35/93/62/860359362.db2.gz VHMQBEYEXLAGSR-SNVBAGLBSA-N -1 3 382.411 3.707 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1nc(C2CCCCC2)no1 ZINC000174065800 860445416 /nfs/dbraw/zinc/44/54/16/860445416.db2.gz JEPLYZXLFDZIJO-ZDUSSCGKSA-N -1 3 386.477 3.705 20 0 GHADHM CCc1nnc([N-]C(=O)c2ccc(Sc3ccccc3Cl)nn2)s1 ZINC000155254677 860457972 /nfs/dbraw/zinc/45/79/72/860457972.db2.gz OXSQJOATLMGQOY-UHFFFAOYSA-N -1 3 377.882 3.947 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnc(Cc2ccccc2)s1 ZINC000484948662 860530120 /nfs/dbraw/zinc/53/01/20/860530120.db2.gz ANIGWYPYSYUWKQ-UHFFFAOYSA-N -1 3 384.408 3.943 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293871 881558726 /nfs/dbraw/zinc/55/87/26/881558726.db2.gz YMBAAIYXUPBMTK-GFCCVEGCSA-N -1 3 375.782 3.531 20 0 GHADHM Cc1c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)oc2c1c(C)ccc2C ZINC000098093293 860717398 /nfs/dbraw/zinc/71/73/98/860717398.db2.gz QNJSUNMUEPQERC-UHFFFAOYSA-N -1 3 392.455 3.662 20 0 GHADHM CCCN(C(=O)c1c(C)cccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000625077024 860838272 /nfs/dbraw/zinc/83/82/72/860838272.db2.gz VCRNFKIMYJPJBV-UHFFFAOYSA-N -1 3 380.488 3.858 20 0 GHADHM O=C(Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1)NC1CC1 ZINC000176434342 860873901 /nfs/dbraw/zinc/87/39/01/860873901.db2.gz SIQJIWBHLJJZES-UHFFFAOYSA-N -1 3 390.237 3.691 20 0 GHADHM COc1ccc2oc([C@@H](C)N/C=C3\C(=O)[N-]C(=O)c4ccccc43)c(C)c2c1 ZINC000730203210 860950745 /nfs/dbraw/zinc/95/07/45/860950745.db2.gz JJYXVVJSIKNKKN-NCUBORBFSA-N -1 3 376.412 3.712 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000522800949 860960171 /nfs/dbraw/zinc/96/01/71/860960171.db2.gz YDNBQNKVKXZPBA-MFKMUULPSA-N -1 3 396.372 3.630 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(F)c1F ZINC000625120667 860972495 /nfs/dbraw/zinc/97/24/95/860972495.db2.gz YCMSPCNXCCXGTO-LSDHHAIUSA-N -1 3 385.407 3.611 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])c1C ZINC000730364056 861030095 /nfs/dbraw/zinc/03/00/95/861030095.db2.gz BGTLGZPTAZUKTQ-GFCCVEGCSA-N -1 3 392.249 3.956 20 0 GHADHM Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364119 861030261 /nfs/dbraw/zinc/03/02/61/861030261.db2.gz CLDSEDMANGTRPJ-UHFFFAOYSA-N -1 3 378.222 3.567 20 0 GHADHM COc1ccc(COCCCNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000625152016 861035966 /nfs/dbraw/zinc/03/59/66/861035966.db2.gz LLPOUBPZOAPYBN-UHFFFAOYSA-N -1 3 394.265 3.500 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cccc(Br)c2[O-])c(C)n1C1CC1 ZINC000730364151 861043199 /nfs/dbraw/zinc/04/31/99/861043199.db2.gz DDNQIVZIKDTOPI-UHFFFAOYSA-N -1 3 392.249 3.948 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509103806 861063415 /nfs/dbraw/zinc/06/34/15/861063415.db2.gz QQAOSRMDXABFFZ-UHFFFAOYSA-N -1 3 375.837 3.647 20 0 GHADHM CSc1cccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000730363753 861072669 /nfs/dbraw/zinc/07/26/69/861072669.db2.gz HUPJIPJQFJWESO-UHFFFAOYSA-N -1 3 396.262 3.672 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000730592453 861186531 /nfs/dbraw/zinc/18/65/31/861186531.db2.gz OPXVRKJIAKXFLF-HXUWFJFHSA-N -1 3 395.503 3.872 20 0 GHADHM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000182531276 863265376 /nfs/dbraw/zinc/26/53/76/863265376.db2.gz DMPQVQNSHPULQK-UHFFFAOYSA-N -1 3 393.415 3.532 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000120627524 881643737 /nfs/dbraw/zinc/64/37/37/881643737.db2.gz SOYWAYVTLCNQDP-HOTGVXAUSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000120627524 881643741 /nfs/dbraw/zinc/64/37/41/881643741.db2.gz SOYWAYVTLCNQDP-HOTGVXAUSA-N -1 3 387.365 3.552 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000120577271 881676420 /nfs/dbraw/zinc/67/64/20/881676420.db2.gz ABFPYTYNNVUIAR-CABCVRRESA-N -1 3 387.505 3.880 20 0 GHADHM CSCC[C@@H](C)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444256278 863766471 /nfs/dbraw/zinc/76/64/71/863766471.db2.gz JXSJRRUQFPTYMK-SNVBAGLBSA-N -1 3 383.311 3.504 20 0 GHADHM CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000444274623 863796501 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CCCCc1ccc([C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C(C)C)cc1 ZINC000524713406 869481418 /nfs/dbraw/zinc/48/14/18/869481418.db2.gz DLJSCWQKSHZXPM-JOCHJYFZSA-N -1 3 382.504 3.978 20 0 GHADHM CC(C)CSCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000397231805 887247382 /nfs/dbraw/zinc/24/73/82/887247382.db2.gz MWVSVCMWSCGXER-UHFFFAOYSA-N -1 3 386.764 3.770 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCC(C)C)c(Br)c1 ZINC000462483307 869524911 /nfs/dbraw/zinc/52/49/11/869524911.db2.gz DBIHWUNSPGWCCO-UHFFFAOYSA-N -1 3 399.148 3.844 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000462500827 869581346 /nfs/dbraw/zinc/58/13/46/869581346.db2.gz JSVOMVBUNMNUCP-TZMCWYRMSA-N -1 3 386.336 3.729 20 0 GHADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)nn1[C@@H](C)C1CC1 ZINC000539688779 869610725 /nfs/dbraw/zinc/61/07/25/869610725.db2.gz PPIZZQMRFQAUCN-NSHDSACASA-N -1 3 378.270 3.561 20 0 GHADHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000462590395 869722380 /nfs/dbraw/zinc/72/23/80/869722380.db2.gz HNJXBBHNAFYYLM-UHFFFAOYSA-N -1 3 398.859 3.899 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000508625632 882330536 /nfs/dbraw/zinc/33/05/36/882330536.db2.gz OVDKLVDGDOTHJH-INIZCTEOSA-N -1 3 376.403 3.591 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCC2CC2)c(Br)c1 ZINC000462620314 869769067 /nfs/dbraw/zinc/76/90/67/869769067.db2.gz RVSVCIXJNIRUJA-UHFFFAOYSA-N -1 3 397.132 3.598 20 0 GHADHM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)ccc12 ZINC000539856705 869903601 /nfs/dbraw/zinc/90/36/01/869903601.db2.gz VRGKCERZRZZQRB-UHFFFAOYSA-N -1 3 385.367 3.613 20 0 GHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)ccc12 ZINC000539856705 869903605 /nfs/dbraw/zinc/90/36/05/869903605.db2.gz VRGKCERZRZZQRB-UHFFFAOYSA-N -1 3 385.367 3.613 20 0 GHADHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000462715108 869924372 /nfs/dbraw/zinc/92/43/72/869924372.db2.gz RXVHQIZJVHZVDW-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C2CCC2)c1 ZINC000462729155 869957347 /nfs/dbraw/zinc/95/73/47/869957347.db2.gz ZPYHONKHCRUBSX-UHFFFAOYSA-N -1 3 384.910 3.586 20 0 GHADHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000462721004 869970478 /nfs/dbraw/zinc/97/04/78/869970478.db2.gz QWTYJRKUJFCAPG-LBPRGKRZSA-N -1 3 391.386 3.899 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C)c(N2CCOC2=O)c1 ZINC000746056133 869986596 /nfs/dbraw/zinc/98/65/96/869986596.db2.gz ADMRFKCSHMOZJA-UHFFFAOYSA-N -1 3 388.489 3.877 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)Nc1ncccn1 ZINC000746078335 869994273 /nfs/dbraw/zinc/99/42/73/869994273.db2.gz GSLPCKIZVSBMBP-GFCCVEGCSA-N -1 3 397.818 3.687 20 0 GHADHM COC[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000446573435 870024161 /nfs/dbraw/zinc/02/41/61/870024161.db2.gz XAJCKSFBHBYIFT-ZDUSSCGKSA-N -1 3 394.468 3.546 20 0 GHADHM O=S(=O)([N-][C@H]1C=CCC1)c1csc(-c2ccc(Br)cc2)n1 ZINC001192264698 870249099 /nfs/dbraw/zinc/24/90/99/870249099.db2.gz IZSQOOLSTDRDRP-LBPRGKRZSA-N -1 3 385.308 3.570 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)c2)o1 ZINC001192266888 870251775 /nfs/dbraw/zinc/25/17/75/870251775.db2.gz ZTDRJSANJBTNOM-UHFFFAOYSA-N -1 3 398.488 3.836 20 0 GHADHM CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000188117434 870267486 /nfs/dbraw/zinc/26/74/86/870267486.db2.gz YJFDLFXBYCUWKP-NRFANRHFSA-N -1 3 392.499 3.705 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1 ZINC000746319434 870276805 /nfs/dbraw/zinc/27/68/05/870276805.db2.gz OINHKBIVHWQSDQ-UHFFFAOYSA-N -1 3 381.457 3.630 20 0 GHADHM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000909640912 870288335 /nfs/dbraw/zinc/28/83/35/870288335.db2.gz ROWLBSYXAZMZOA-FQEVSTJZSA-N -1 3 396.491 3.615 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001192327594 870292316 /nfs/dbraw/zinc/29/23/16/870292316.db2.gz YJPJAUFVUCBLEW-MAUKXSAKSA-N -1 3 399.560 3.883 20 0 GHADHM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc(Br)cc2F)C[C@H](C)C1 ZINC001192337029 870298293 /nfs/dbraw/zinc/29/82/93/870298293.db2.gz LCRXOPBDRWCSMW-GHMZBOCLSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC2(CCCC2)CC1 ZINC000617565510 870371587 /nfs/dbraw/zinc/37/15/87/870371587.db2.gz ZLMPGWARJBVYID-UHFFFAOYSA-N -1 3 394.519 3.646 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(Oc3ccncc3C)CC2)c([O-])c1 ZINC000446784069 870398658 /nfs/dbraw/zinc/39/86/58/870398658.db2.gz IAKXNGOYNMBLRN-UHFFFAOYSA-N -1 3 384.476 3.958 20 0 GHADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C)cc1[O-] ZINC000193226866 870466366 /nfs/dbraw/zinc/46/63/66/870466366.db2.gz STNSNIQUJVLAKR-UHFFFAOYSA-N -1 3 380.366 3.609 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461611058 870585584 /nfs/dbraw/zinc/58/55/84/870585584.db2.gz CFZLTXGMBRYKGG-UHFFFAOYSA-N -1 3 393.468 3.872 20 0 GHADHM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461615676 870594988 /nfs/dbraw/zinc/59/49/88/870594988.db2.gz FGAOGCWDYJLZRP-CQSZACIVSA-N -1 3 381.476 3.523 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC(C)(C)C1 ZINC001192697516 870603842 /nfs/dbraw/zinc/60/38/42/870603842.db2.gz PDIXEZCMJDQYGV-INIZCTEOSA-N -1 3 394.320 3.784 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1c(Cl)cccc1Cl ZINC000737946240 870708926 /nfs/dbraw/zinc/70/89/26/870708926.db2.gz CMIHLHIMKVYHSP-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1c(Cl)cccc1Cl ZINC000737946240 870708929 /nfs/dbraw/zinc/70/89/29/870708929.db2.gz CMIHLHIMKVYHSP-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1cnccc1Cl ZINC001192912701 870766641 /nfs/dbraw/zinc/76/66/41/870766641.db2.gz HPNMIVXBBJVILM-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(Br)c1 ZINC000540210652 870775442 /nfs/dbraw/zinc/77/54/42/870775442.db2.gz FAXSCHRENJTDME-UHFFFAOYSA-N -1 3 385.283 3.741 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1cnccc1Cl ZINC001192925621 870791154 /nfs/dbraw/zinc/79/11/54/870791154.db2.gz UOBOOXZGHDSWLI-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)c2)n1 ZINC000538937819 870921741 /nfs/dbraw/zinc/92/17/41/870921741.db2.gz ABLYVECYXUOTOI-UHFFFAOYSA-N -1 3 381.457 3.578 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c([O-])c1 ZINC000617920012 871019231 /nfs/dbraw/zinc/01/92/31/871019231.db2.gz WFMICSZNSKWGDL-FQEVSTJZSA-N -1 3 382.460 3.557 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)o1 ZINC000539106315 871280370 /nfs/dbraw/zinc/28/03/70/871280370.db2.gz VCIKGHVOZDKIBQ-SFHVURJKSA-N -1 3 399.447 3.797 20 0 GHADHM COC(=O)[C@H]1CCc2cc(NC(=O)c3ccc([O-])cc3C(F)(F)F)ccc21 ZINC001193747642 871289080 /nfs/dbraw/zinc/28/90/80/871289080.db2.gz LVRMVJMQHPVWOY-AWEZNQCLSA-N -1 3 379.334 3.866 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)cc(O)cc2[O-])c(OC(F)(F)F)c1 ZINC001193935878 871379402 /nfs/dbraw/zinc/37/94/02/871379402.db2.gz GCANUVFFUJVVKT-UHFFFAOYSA-N -1 3 399.321 3.734 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)c1c(C)cc(O)cc1[O-])c1cccc2ccccc21 ZINC001193945684 871422892 /nfs/dbraw/zinc/42/28/92/871422892.db2.gz IALUNQLVMPZDQJ-FQEVSTJZSA-N -1 3 379.412 3.594 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2cccs2)cc1)c1ccccc1 ZINC001194175854 871528255 /nfs/dbraw/zinc/52/82/55/871528255.db2.gz MPTLBWRISYSJCX-GOSISDBHSA-N -1 3 387.482 3.608 20 0 GHADHM O=C(c1cccc2n[n-]nc21)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000525864595 871558781 /nfs/dbraw/zinc/55/87/81/871558781.db2.gz HORFATJOXZKOBO-UHFFFAOYSA-N -1 3 392.440 3.638 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C2CC2)s1 ZINC000462106791 871604483 /nfs/dbraw/zinc/60/44/83/871604483.db2.gz ZGIKDHQSVWHBHT-NSHDSACASA-N -1 3 382.454 3.961 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc(F)c2F)s1 ZINC000462131480 871692126 /nfs/dbraw/zinc/69/21/26/871692126.db2.gz YKYPQQBEYGYWPU-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1cccc3c(Cl)cccc31)C(=O)N2 ZINC001194431139 871711501 /nfs/dbraw/zinc/71/15/01/871711501.db2.gz CCFCYYOGWAHOGK-GOSISDBHSA-N -1 3 386.860 3.773 20 0 GHADHM Cc1ccc(Cl)c(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1F ZINC001194582689 871812012 /nfs/dbraw/zinc/81/20/12/871812012.db2.gz SEJJMEVXWVMHBQ-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3C[C@H]3C(F)(F)F)s2)cs1 ZINC001194613846 871859032 /nfs/dbraw/zinc/85/90/32/871859032.db2.gz LFRWCSCTGDKBJX-DTWKUNHWSA-N -1 3 382.454 3.657 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(OC)ccc(SC)c2OC)c([O-])c1 ZINC000539392334 871892247 /nfs/dbraw/zinc/89/22/47/871892247.db2.gz RMUWXAQKVCMXIO-UHFFFAOYSA-N -1 3 391.445 3.560 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(Cl)nc2Cl)c(C)c1C ZINC001194836618 871982679 /nfs/dbraw/zinc/98/26/79/871982679.db2.gz CZVNJBBXLQCPDV-UHFFFAOYSA-N -1 3 376.265 3.518 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cncc(-c3ccccc3)c2)cc1F ZINC001194960243 872055303 /nfs/dbraw/zinc/05/53/03/872055303.db2.gz KDPBGGIZVWTYEJ-UHFFFAOYSA-N -1 3 385.420 3.512 20 0 GHADHM CCCCN(Cc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001194970493 872061277 /nfs/dbraw/zinc/06/12/77/872061277.db2.gz YOFVDCWHPDRLDN-UHFFFAOYSA-N -1 3 378.469 3.640 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(cccc2NC([O-])=NO[C@@H]2CCCCO2)C1 ZINC000775621647 872062229 /nfs/dbraw/zinc/06/22/29/872062229.db2.gz SZWUIDWIDQKSEK-QGZVFWFLSA-N -1 3 391.468 3.560 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000775621647 872062251 /nfs/dbraw/zinc/06/22/51/872062251.db2.gz SZWUIDWIDQKSEK-QGZVFWFLSA-N -1 3 391.468 3.560 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)cc1F ZINC001194981175 872083513 /nfs/dbraw/zinc/08/35/13/872083513.db2.gz FOVOOTKLWZFGKX-UHFFFAOYSA-N -1 3 399.447 3.699 20 0 GHADHM CCCCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271915362 872115931 /nfs/dbraw/zinc/11/59/31/872115931.db2.gz ONVHBOWBVDRTRP-FQEVSTJZSA-N -1 3 378.900 3.691 20 0 GHADHM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000526114705 872149775 /nfs/dbraw/zinc/14/97/75/872149775.db2.gz NLICLOGWMWIMLM-UHFFFAOYSA-N -1 3 381.411 3.868 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2csc(-c3ccccc3Cl)n2)[n-]1 ZINC000618920349 872158408 /nfs/dbraw/zinc/15/84/08/872158408.db2.gz UKEQKVAJJNQOSU-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2csc(-c3ccccc3Cl)n2)c[n-]1 ZINC000618920349 872158414 /nfs/dbraw/zinc/15/84/14/872158414.db2.gz UKEQKVAJJNQOSU-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2CN(C)c2ccccc2)c(=O)[n-]1 ZINC000447705477 872159480 /nfs/dbraw/zinc/15/94/80/872159480.db2.gz ZWLCEOLMLBKPCJ-UHFFFAOYSA-N -1 3 376.460 3.617 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OC(C)(C)C ZINC001195087005 872165063 /nfs/dbraw/zinc/16/50/63/872165063.db2.gz VTEZBVTUSLPFCP-LBPRGKRZSA-N -1 3 385.457 3.527 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)cc2)n1 ZINC000463656950 872272584 /nfs/dbraw/zinc/27/25/84/872272584.db2.gz TVPZZSRBGMRAMM-ZDUSSCGKSA-N -1 3 393.418 3.732 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000526927249 872287438 /nfs/dbraw/zinc/28/74/38/872287438.db2.gz ONTHNYPJSJKZBP-AWEZNQCLSA-N -1 3 398.463 3.927 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCCC[C@@H]3C[C@H](C)O)cc2)cc(=O)[n-]1 ZINC000552241044 872292041 /nfs/dbraw/zinc/29/20/41/872292041.db2.gz ONJJOBCFMKYJJY-KBXCAEBGSA-N -1 3 384.480 3.705 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1c(F)cccc1Cl ZINC000463672513 872304068 /nfs/dbraw/zinc/30/40/68/872304068.db2.gz ZRKUZFXVQHYHOS-AWEZNQCLSA-N -1 3 388.917 3.656 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001195409930 872370152 /nfs/dbraw/zinc/37/01/52/872370152.db2.gz GTUIVANWAFHRAC-UHFFFAOYSA-N -1 3 380.231 3.963 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000447834425 872373518 /nfs/dbraw/zinc/37/35/18/872373518.db2.gz QXNLXOMFHKTSGO-CQSZACIVSA-N -1 3 387.365 3.685 20 0 GHADHM Cc1occc1C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195443081 872393224 /nfs/dbraw/zinc/39/32/24/872393224.db2.gz GNKTZCXOBAQWAL-UHFFFAOYSA-N -1 3 382.638 3.622 20 0 GHADHM Cn1ncc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1C(F)(F)F ZINC000619195496 872423109 /nfs/dbraw/zinc/42/31/09/872423109.db2.gz ISAGVFONMNSETD-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[N-]OCCSC)cc1 ZINC000794182897 882612691 /nfs/dbraw/zinc/61/26/91/882612691.db2.gz IGBYKTVPFNPFQP-UHFFFAOYSA-N -1 3 397.500 3.501 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1[O-] ZINC000627276985 872497626 /nfs/dbraw/zinc/49/76/26/872497626.db2.gz UNCHBDAMJDSNCT-XOKHGSTOSA-N -1 3 386.245 3.882 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)on1 ZINC000447875265 872502990 /nfs/dbraw/zinc/50/29/90/872502990.db2.gz PHYWFWYVAADIFG-UHFFFAOYSA-N -1 3 392.399 3.797 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2noc(-c3ccccc3)n2)cc1[O-] ZINC000783939582 872589657 /nfs/dbraw/zinc/58/96/57/872589657.db2.gz PMHPVGGRISKQJP-LLVKDONJSA-N -1 3 383.360 3.539 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182609838 872607808 /nfs/dbraw/zinc/60/78/08/872607808.db2.gz OAQYWWQQMUFZSP-OAHLLOKOSA-N -1 3 377.872 3.889 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[n-]1 ZINC000619446378 872633325 /nfs/dbraw/zinc/63/33/25/872633325.db2.gz HVFGAWABRZVJQI-UHFFFAOYSA-N -1 3 392.387 3.549 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c[n-]1 ZINC000619446378 872633331 /nfs/dbraw/zinc/63/33/31/872633331.db2.gz HVFGAWABRZVJQI-UHFFFAOYSA-N -1 3 392.387 3.549 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)[n-]1 ZINC000619447013 872634612 /nfs/dbraw/zinc/63/46/12/872634612.db2.gz HMFFSYWAWKCCTB-UHFFFAOYSA-N -1 3 390.248 3.556 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)c[n-]1 ZINC000619447013 872634621 /nfs/dbraw/zinc/63/46/21/872634621.db2.gz HMFFSYWAWKCCTB-UHFFFAOYSA-N -1 3 390.248 3.556 20 0 GHADHM O=C(Cc1ccc(I)cc1)Nc1c([O-])cccc1Cl ZINC000552434576 872643313 /nfs/dbraw/zinc/64/33/13/872643313.db2.gz OZPXWSBSPHNIFA-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM CC(=O)Nc1cc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)c(F)cc1F ZINC000921158520 882639009 /nfs/dbraw/zinc/63/90/09/882639009.db2.gz UXXFTLXHLBVJJJ-UHFFFAOYSA-N -1 3 375.306 3.970 20 0 GHADHM O=S(=O)(N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1)c1ccc([O-])cc1 ZINC001195825364 872697496 /nfs/dbraw/zinc/69/74/96/872697496.db2.gz QEVVMPZZYSTRER-RTWAWAEBSA-N -1 3 381.453 3.599 20 0 GHADHM C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001195834671 872703550 /nfs/dbraw/zinc/70/35/50/872703550.db2.gz FUYWPXRISHLHAA-ZDUSSCGKSA-N -1 3 392.477 3.779 20 0 GHADHM O=S(=O)(NCc1ccc2nc(-c3ccccc3)oc2c1)c1ccc([O-])cc1 ZINC001195835086 872703854 /nfs/dbraw/zinc/70/38/54/872703854.db2.gz GECFBCLINYZOLD-UHFFFAOYSA-N -1 3 380.425 3.679 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000767658963 872741531 /nfs/dbraw/zinc/74/15/31/872741531.db2.gz RCOPEGLDSKARLV-GFCCVEGCSA-N -1 3 395.834 3.662 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)[nH][n-]1 ZINC000541025612 872745253 /nfs/dbraw/zinc/74/52/53/872745253.db2.gz ZFPXECPPPDGJGK-UGSOOPFHSA-N -1 3 391.899 3.940 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000463892930 872805171 /nfs/dbraw/zinc/80/51/71/872805171.db2.gz DJFLTQKEISIOEO-RYUDHWBXSA-N -1 3 395.352 3.603 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOCC12CCCC2)c1ccc(Cl)cc1C(F)(F)F ZINC001196070100 872859966 /nfs/dbraw/zinc/85/99/66/872859966.db2.gz FQOMAGDXKQUAGW-CQSZACIVSA-N -1 3 397.846 3.986 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000527281156 872890971 /nfs/dbraw/zinc/89/09/71/872890971.db2.gz ZIHQDXODGQCAJV-IINYFYTJSA-N -1 3 380.370 3.962 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)c1ccc(Cl)cn1 ZINC001196266810 872979295 /nfs/dbraw/zinc/97/92/95/872979295.db2.gz UDFQOUYCQZAQSL-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000191940065 882675384 /nfs/dbraw/zinc/67/53/84/882675384.db2.gz HDZTWGXRVVNUMR-JSGCOSHPSA-N -1 3 392.249 3.914 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc3n[n-]nc32)cn1 ZINC000527356145 873073243 /nfs/dbraw/zinc/07/32/43/873073243.db2.gz WKWHXLJDDSCLSJ-UHFFFAOYSA-N -1 3 375.388 3.715 20 0 GHADHM O=C(Nc1nc2ccccc2s1)c1cc([O-])cc(I)c1 ZINC001196399241 873075845 /nfs/dbraw/zinc/07/58/45/873075845.db2.gz PXCNBBJZUDVOBI-UHFFFAOYSA-N -1 3 396.209 3.859 20 0 GHADHM CN(C(=O)c1cc([O-])cc(I)c1)[C@H]1CCc2ccccc21 ZINC001196416851 873101299 /nfs/dbraw/zinc/10/12/99/873101299.db2.gz DZVNWDVJJYLQPG-INIZCTEOSA-N -1 3 393.224 3.756 20 0 GHADHM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc([O-])cc(I)c1 ZINC001196427404 873109088 /nfs/dbraw/zinc/10/90/88/873109088.db2.gz JOMUFWATBNVOPG-VIFPVBQESA-N -1 3 395.187 3.552 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)c1cc([O-])cc(I)c1 ZINC001196428366 873109295 /nfs/dbraw/zinc/10/92/95/873109295.db2.gz KYSQQGLDSLUHQL-GFCCVEGCSA-N -1 3 395.240 3.748 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnccc2Cl)cc1 ZINC001196463271 873145465 /nfs/dbraw/zinc/14/54/65/873145465.db2.gz ZANJINYBRRYCPB-UHFFFAOYSA-N -1 3 383.857 3.883 20 0 GHADHM Cc1cc(Cl)c(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1C ZINC000183082232 873219777 /nfs/dbraw/zinc/21/97/77/873219777.db2.gz LTPSWDJYPGUHRV-NRFANRHFSA-N -1 3 399.878 3.545 20 0 GHADHM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000527521780 873242944 /nfs/dbraw/zinc/24/29/44/873242944.db2.gz OMQGHWUTDSEWKT-UHFFFAOYSA-N -1 3 396.191 3.730 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccnc(-c3ccc(OC(F)(F)F)cc3)n2)n1 ZINC001196640478 873278696 /nfs/dbraw/zinc/27/86/96/873278696.db2.gz JKRODFFQAQSILB-UHFFFAOYSA-N -1 3 390.321 3.704 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(=O)[n-]1 ZINC000464150540 873318810 /nfs/dbraw/zinc/31/88/10/873318810.db2.gz DTQFJMTYTIGFNL-UHFFFAOYSA-N -1 3 384.823 3.821 20 0 GHADHM Cc1nc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc(=O)[n-]1 ZINC001196807613 873374170 /nfs/dbraw/zinc/37/41/70/873374170.db2.gz LKGIHJHTVIZRAV-UHFFFAOYSA-N -1 3 390.321 3.704 20 0 GHADHM COc1nc(C(F)(F)F)c(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC001196840701 873397867 /nfs/dbraw/zinc/39/78/67/873397867.db2.gz VGXIFDIDBCPZIF-UHFFFAOYSA-N -1 3 397.172 3.891 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000775748362 873420930 /nfs/dbraw/zinc/42/09/30/873420930.db2.gz WIXHHJZGIPBQRS-YMTOWFKASA-N -1 3 393.267 3.582 20 0 GHADHM CC(C)(C)c1nc(C(=O)[N-]c2cc(Br)nc3ccccc23)no1 ZINC001196982038 873509027 /nfs/dbraw/zinc/50/90/27/873509027.db2.gz UYMRTJAOBYDCMC-UHFFFAOYSA-N -1 3 375.226 3.930 20 0 GHADHM Cn1c(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccc1-c1ccc(Cl)cc1 ZINC001197341933 873752796 /nfs/dbraw/zinc/75/27/96/873752796.db2.gz LLCCLJWACKRZQT-UHFFFAOYSA-N -1 3 394.818 3.952 20 0 GHADHM O=C(OCc1cn2ccccc2n1)c1n[n-]c(-c2ccccc2)c1Br ZINC000769054688 873790074 /nfs/dbraw/zinc/79/00/74/873790074.db2.gz YQAICCNIWFZWIQ-UHFFFAOYSA-N -1 3 397.232 3.844 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(I)cc2Cl)n1 ZINC000541533124 873816158 /nfs/dbraw/zinc/81/61/58/873816158.db2.gz ZLDWKSMIXHWWMW-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM CCN1Cc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O ZINC001197529252 873858079 /nfs/dbraw/zinc/85/80/79/873858079.db2.gz ISLUBUSUFOQCSE-UHFFFAOYSA-N -1 3 399.299 3.911 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=C(C)CC(C)(C)CC2)cc1OC ZINC000448746669 873882523 /nfs/dbraw/zinc/88/25/23/873882523.db2.gz CMZWBEYIQVUXJC-UHFFFAOYSA-N -1 3 380.510 3.922 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000541572903 873886526 /nfs/dbraw/zinc/88/65/26/873886526.db2.gz OFXBSOVXVIQOQC-BZNIZROVSA-N -1 3 375.266 3.695 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(F)c(F)cc1Br ZINC001197600591 873934500 /nfs/dbraw/zinc/93/45/00/873934500.db2.gz OSNRGSHGJFDJJI-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197726851 874011812 /nfs/dbraw/zinc/01/18/12/874011812.db2.gz CZXWUBFBANMVGA-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM CCN(CC)C(=O)Cn1ccc2cc(NC(=O)Cc3ccc([O-])c(F)c3)ccc21 ZINC000448840221 874049486 /nfs/dbraw/zinc/04/94/86/874049486.db2.gz JEHICUAQLYDSIO-UHFFFAOYSA-N -1 3 397.450 3.536 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2F)c(Br)c1 ZINC001198075923 874199783 /nfs/dbraw/zinc/19/97/83/874199783.db2.gz BQHOFWRXFFITBM-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000541751349 874211049 /nfs/dbraw/zinc/21/10/49/874211049.db2.gz YRWHGFFOVSEHSV-GFCCVEGCSA-N -1 3 385.261 3.824 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c(F)cc1Br ZINC001198144662 874245373 /nfs/dbraw/zinc/24/53/73/874245373.db2.gz KOOFWDQONYKBPO-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM COc1c(Br)ccc(F)c1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC001129456089 882808737 /nfs/dbraw/zinc/80/87/37/882808737.db2.gz 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GHADHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(F)F ZINC000452268378 879232507 /nfs/dbraw/zinc/23/25/07/879232507.db2.gz XPJUWXQUOONCPG-SNVBAGLBSA-N -1 3 393.615 3.718 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000111557961 879254319 /nfs/dbraw/zinc/25/43/19/879254319.db2.gz YYVVGBNNFUQUHV-HXUWFJFHSA-N -1 3 381.435 3.711 20 0 GHADHM CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000616986589 879287309 /nfs/dbraw/zinc/28/73/09/879287309.db2.gz WMTWXZCCXCBGSW-AWEZNQCLSA-N -1 3 378.469 3.887 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000789837138 879295484 /nfs/dbraw/zinc/29/54/84/879295484.db2.gz ZBEHLKAFWKNGFN-UHFFFAOYSA-N -1 3 380.485 3.510 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111632524 879305403 /nfs/dbraw/zinc/30/54/03/879305403.db2.gz INNDRPIEZGVGGV-UHFFFAOYSA-N -1 3 390.418 3.563 20 0 GHADHM CC1(OCc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000789867532 879327017 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20 0 GHADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1[n-]cnc1C(F)(F)F ZINC000854184808 879617179 /nfs/dbraw/zinc/61/71/79/879617179.db2.gz QRXCNLLTEKOEPP-UHFFFAOYSA-N -1 3 390.369 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1nc[n-]c1C(F)(F)F ZINC000854184808 879617189 /nfs/dbraw/zinc/61/71/89/879617189.db2.gz QRXCNLLTEKOEPP-UHFFFAOYSA-N -1 3 390.369 3.666 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCC(=O)c3ccccc32)[nH][n-]1 ZINC000493791627 879632126 /nfs/dbraw/zinc/63/21/26/879632126.db2.gz RPQKVSKNSOIURV-OAHLLOKOSA-N -1 3 395.846 3.859 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1C(F)(F)F ZINC000509475918 879643628 /nfs/dbraw/zinc/64/36/28/879643628.db2.gz ABBFEIQTMXIZLE-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2coc(C3CC3)n2)c(C(=O)OCC)c1C ZINC000776733039 879778505 /nfs/dbraw/zinc/77/85/05/879778505.db2.gz WFZZXGPFAXMMKD-UHFFFAOYSA-N -1 3 392.433 3.528 20 0 GHADHM CCCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000461431022 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396.472 3.560 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1Cl ZINC000499135104 881227268 /nfs/dbraw/zinc/22/72/68/881227268.db2.gz QXEMQGQPIMRIMG-AWEZNQCLSA-N -1 3 388.634 3.997 20 0 GHADHM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001183592998 912667189 /nfs/dbraw/zinc/66/71/89/912667189.db2.gz ITYIMBOPLNCYSY-UHFFFAOYSA-N -1 3 389.411 3.865 20 0 GHADHM COc1ccc(N[C@H](c2ncc[nH]2)C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000286284369 912668119 /nfs/dbraw/zinc/66/81/19/912668119.db2.gz WDLKSSHXFRANMC-KRWDZBQOSA-N -1 3 378.498 3.523 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1C ZINC000183277795 883276293 /nfs/dbraw/zinc/27/62/93/883276293.db2.gz ZHYLTGXTRNVJRK-UHFFFAOYSA-N -1 3 379.464 3.864 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC001129896678 883314205 /nfs/dbraw/zinc/31/42/05/883314205.db2.gz SHCANASOACFPMF-JKSUJKDBSA-N -1 3 380.410 3.759 20 0 GHADHM CCCOCCOC(=O)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000858879367 883423086 /nfs/dbraw/zinc/42/30/86/883423086.db2.gz ABADUEMLMAEABW-UHFFFAOYSA-N -1 3 393.461 3.738 20 0 GHADHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)n1 ZINC000666972211 883534673 /nfs/dbraw/zinc/53/46/73/883534673.db2.gz TXBSGSIEIFVIFF-UHFFFAOYSA-N -1 3 398.208 3.523 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c([O-])c1 ZINC000760208792 883558378 /nfs/dbraw/zinc/55/83/78/883558378.db2.gz HDPIFDKUVJHAPY-UHFFFAOYSA-N -1 3 384.432 3.806 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)Cn2ncc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000551285806 883601538 /nfs/dbraw/zinc/60/15/38/883601538.db2.gz TWBORLLPULAAGI-CQSZACIVSA-N -1 3 397.479 3.554 20 0 GHADHM CCN(Cc1cccc(NC(=O)c2c(C)cccc2[O-])c1)C(=O)C(F)(F)F ZINC000859151277 883620590 /nfs/dbraw/zinc/62/05/90/883620590.db2.gz GEDQAGCFJNBXOE-UHFFFAOYSA-N -1 3 380.366 3.864 20 0 GHADHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000805147570 883625273 /nfs/dbraw/zinc/62/52/73/883625273.db2.gz RPTUALXGZAZCRL-LBPRGKRZSA-N -1 3 389.304 3.662 20 0 GHADHM COC(=O)c1ccc2nc(SCc3noc(-c4ccccc4[O-])n3)oc2c1 ZINC000609751941 883639509 /nfs/dbraw/zinc/63/95/09/883639509.db2.gz CHTIILZABIBPDS-UHFFFAOYSA-N -1 3 383.385 3.662 20 0 GHADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914488947 883672335 /nfs/dbraw/zinc/67/23/35/883672335.db2.gz HSWURKNLKFZMIZ-DOTOQJQBSA-N -1 3 396.528 3.601 20 0 GHADHM COC(=O)Cc1nc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CCCCC2)n[n-]1 ZINC000609879738 883766422 /nfs/dbraw/zinc/76/64/22/883766422.db2.gz VMJXPUGMGCMTFN-UHFFFAOYSA-N -1 3 398.507 3.658 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccccc3)n2)c1 ZINC000079293421 883770605 /nfs/dbraw/zinc/77/06/05/883770605.db2.gz IXQVTBMZDYPEIH-UHFFFAOYSA-N -1 3 376.434 3.605 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)c1 ZINC000194728072 883911932 /nfs/dbraw/zinc/91/19/32/883911932.db2.gz HSXSWXPXMSWOFZ-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000063443150 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O=C([N-]C[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1)C(F)(F)F ZINC000810065909 888151798 /nfs/dbraw/zinc/15/17/98/888151798.db2.gz FMBZBTJXGUBGDS-LLVKDONJSA-N -1 3 399.240 3.763 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1OC(C)C ZINC000614852880 888253949 /nfs/dbraw/zinc/25/39/49/888253949.db2.gz ZOSRCQUFNXIMQK-UHFFFAOYSA-N -1 3 389.452 3.908 20 0 GHADHM CC(C)(C)c1ccc(-c2nnc(SCc3nc4c(c(=O)[n-]3)COCC4)o2)cc1 ZINC000865348140 888309389 /nfs/dbraw/zinc/30/93/89/888309389.db2.gz DOJLAMWRFYAWDM-UHFFFAOYSA-N -1 3 398.488 3.895 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000810304978 888409594 /nfs/dbraw/zinc/40/95/94/888409594.db2.gz ZWGINBSAERIJSR-STQMWFEESA-N -1 3 382.888 3.811 20 0 GHADHM CC(C)(C)OC(=O)CCc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000794850336 888468114 /nfs/dbraw/zinc/46/81/14/888468114.db2.gz ZOWGVQRRYPLYAY-RGEXLXHISA-N -1 3 392.455 3.684 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810599666 888648656 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CCOC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c([O-])c1 ZINC000124785523 889761745 /nfs/dbraw/zinc/76/17/45/889761745.db2.gz YSVDYYUPHQPOFY-UHFFFAOYSA-N -1 3 380.400 3.714 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000125323578 889954415 /nfs/dbraw/zinc/95/44/15/889954415.db2.gz ZTTBDTKCQUEOCO-KRWDZBQOSA-N -1 3 398.356 3.562 20 0 GHADHM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125401770 889981559 /nfs/dbraw/zinc/98/15/59/889981559.db2.gz MGRJPOBNEOLILN-MRXNPFEDSA-N -1 3 392.377 3.583 20 0 GHADHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC001211984654 889988609 /nfs/dbraw/zinc/98/86/09/889988609.db2.gz IONODMHMYLHYOT-QMMMGPOBSA-N -1 3 382.700 3.588 20 0 GHADHM CC(C)(CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1=CCCCC1 ZINC000811905001 890108314 /nfs/dbraw/zinc/10/83/14/890108314.db2.gz SYYLEGYRFJRFLT-AWEZNQCLSA-N -1 3 389.462 3.613 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000064951215 890182717 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GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1(CO)CCC1 ZINC001212031068 891385683 /nfs/dbraw/zinc/38/56/83/891385683.db2.gz RTHYBTAUTBDFJD-CQSZACIVSA-N -1 3 399.862 3.824 20 0 GHADHM CCOc1ccccc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825654147 891470410 /nfs/dbraw/zinc/47/04/10/891470410.db2.gz POCCXXRGTPCJOR-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCO2)cc1 ZINC000067927970 891597603 /nfs/dbraw/zinc/59/76/03/891597603.db2.gz IPZYBWXWCDINPF-QGZVFWFLSA-N -1 3 388.489 3.612 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc([C@H](C)Cc2ccccc2)[nH]n1 ZINC001185012243 913579190 /nfs/dbraw/zinc/57/91/90/913579190.db2.gz DTFAFIWGROPVIJ-GFCCVEGCSA-N -1 3 397.406 3.640 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1C ZINC000282052285 891650507 /nfs/dbraw/zinc/65/05/07/891650507.db2.gz UBMKAEZNANTABL-UHFFFAOYSA-N -1 3 379.457 3.693 20 0 GHADHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497568243 891908537 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CC(C)(NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000917602637 892271402 /nfs/dbraw/zinc/27/14/02/892271402.db2.gz YNNAOSMGFOVXSV-LFIBNONCSA-N -1 3 385.261 3.585 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2)cc(Br)c1OC ZINC000262700451 892327355 /nfs/dbraw/zinc/32/73/55/892327355.db2.gz KKCJBHGJKVQAHZ-INIZCTEOSA-N -1 3 394.265 3.772 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000125172711 892352013 /nfs/dbraw/zinc/35/20/13/892352013.db2.gz OZWIXQDARMQRIX-CQSZACIVSA-N -1 3 397.500 3.974 20 0 GHADHM Cc1c(Cl)cccc1N1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000497815739 892490584 /nfs/dbraw/zinc/49/05/84/892490584.db2.gz AAQGTRRRTXJKMJ-UHFFFAOYSA-N -1 3 391.874 3.915 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-])ccc21 ZINC000263318491 892520619 /nfs/dbraw/zinc/52/06/19/892520619.db2.gz JBSNBJHZGUSNFV-CABCVRRESA-N -1 3 381.476 3.794 20 0 GHADHM CCc1ocnc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825777160 892521281 /nfs/dbraw/zinc/52/12/81/892521281.db2.gz PKXKTSWXJZBOEO-CYBMUJFWSA-N -1 3 388.431 3.575 20 0 GHADHM CCc1ocnc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825777160 892521288 /nfs/dbraw/zinc/52/12/88/892521288.db2.gz PKXKTSWXJZBOEO-CYBMUJFWSA-N -1 3 388.431 3.575 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3c(C)nn4c3nc(C)cc4C)n2)s1 ZINC000068676623 892538445 /nfs/dbraw/zinc/53/84/45/892538445.db2.gz ZWBDBPMUSAQFES-UHFFFAOYSA-N -1 3 384.490 3.795 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000917912225 892806987 /nfs/dbraw/zinc/80/69/87/892806987.db2.gz WCRHVLFWWZRNBC-UHFFFAOYSA-N -1 3 397.324 3.529 20 0 GHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)OCc1noc(-c2ccccc2[O-])n1 ZINC000814526629 892858754 /nfs/dbraw/zinc/85/87/54/892858754.db2.gz HFICRPDFSSFCEI-UHFFFAOYSA-N -1 3 383.791 3.863 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000129108720 893045331 /nfs/dbraw/zinc/04/53/31/893045331.db2.gz ULBWLFVLSCFMPS-JTQLQIEISA-N -1 3 383.206 3.830 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1ccc(-c2cnco2)cc1 ZINC001185194071 913748094 /nfs/dbraw/zinc/74/80/94/913748094.db2.gz ZJEUPWXUKJIBLK-UHFFFAOYSA-N -1 3 388.207 3.983 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)c3ccccc3F)[n-]c2c(Br)c1 ZINC001134788629 893304592 /nfs/dbraw/zinc/30/45/92/893304592.db2.gz FHDFTWPPBCCBHZ-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129462504 893446653 /nfs/dbraw/zinc/44/66/53/893446653.db2.gz SEYFDLWVXJRTOA-FZKQIMNGSA-N -1 3 386.879 3.984 20 0 GHADHM CCN(C[C@H]1CCN(c2c(C(=O)[O-])cnc3ccccc32)C1)CC(F)(F)F ZINC000563205549 893477825 /nfs/dbraw/zinc/47/78/25/893477825.db2.gz CSEIFEUUXGXTIE-CYBMUJFWSA-N -1 3 381.398 3.644 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)n[n-]2)o1 ZINC000815192014 893538390 /nfs/dbraw/zinc/53/83/90/893538390.db2.gz ANFRVXIZXPNKON-BFUOFWGJSA-N -1 3 397.406 3.636 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)[n-]n2)o1 ZINC000815192014 893538408 /nfs/dbraw/zinc/53/84/08/893538408.db2.gz ANFRVXIZXPNKON-BFUOFWGJSA-N -1 3 397.406 3.636 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825957600 893564606 /nfs/dbraw/zinc/56/46/06/893564606.db2.gz DXOIVWFQNNLUQR-UHFFFAOYSA-N -1 3 381.402 3.584 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825957600 893564624 /nfs/dbraw/zinc/56/46/24/893564624.db2.gz DXOIVWFQNNLUQR-UHFFFAOYSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cccc(Cl)c2[O-])C1=O ZINC000815231427 893589924 /nfs/dbraw/zinc/58/99/24/893589924.db2.gz ZESPQSZHSLCTDB-ZBEGNZNMSA-N -1 3 377.799 3.704 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cccc(Cl)c2[O-])C1=O ZINC000815231425 893590493 /nfs/dbraw/zinc/59/04/93/893590493.db2.gz ZESPQSZHSLCTDB-BZNIZROVSA-N -1 3 377.799 3.704 20 0 GHADHM CCc1cccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c1[O-] ZINC000536721461 893605561 /nfs/dbraw/zinc/60/55/61/893605561.db2.gz KPGLSOCSPAEVJI-MRXNPFEDSA-N -1 3 399.491 3.821 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)cc3)nc21 ZINC001134937256 893643620 /nfs/dbraw/zinc/64/36/20/893643620.db2.gz MUXQKBQDADCSFC-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnc(-c4cccnc4)s3)nc21 ZINC001134940669 893647008 /nfs/dbraw/zinc/64/70/08/893647008.db2.gz KVZOSBRQBHOVOU-UHFFFAOYSA-N -1 3 393.428 3.510 20 0 GHADHM COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563371565 893673362 /nfs/dbraw/zinc/67/33/62/893673362.db2.gz OCYDRAUWASTVRE-UHFFFAOYSA-N -1 3 395.484 3.972 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnc2c(F)ccc(F)c2c1 ZINC000815356169 893749660 /nfs/dbraw/zinc/74/96/60/893749660.db2.gz FMTWYNMSEHDOKP-UHFFFAOYSA-N -1 3 383.310 3.626 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000536760018 893752476 /nfs/dbraw/zinc/75/24/76/893752476.db2.gz FCKVNAAKRIRZMU-GTNSWQLSSA-N -1 3 387.860 3.542 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[n-]n1 ZINC000543762482 913822913 /nfs/dbraw/zinc/82/29/13/913822913.db2.gz USCPNQJLUQAWGG-UHFFFAOYSA-N -1 3 393.399 3.834 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)n[n-]1 ZINC000543762482 913822931 /nfs/dbraw/zinc/82/29/31/913822931.db2.gz USCPNQJLUQAWGG-UHFFFAOYSA-N -1 3 393.399 3.834 20 0 GHADHM CCN(Cc1nc2c(c(=O)[n-]1)COCC2)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000878008158 893941632 /nfs/dbraw/zinc/94/16/32/893941632.db2.gz BTOGVBBHEKOPTL-LBPRGKRZSA-N -1 3 381.398 3.857 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(OCCCOc2ccccc2)C1 ZINC001137128630 894039632 /nfs/dbraw/zinc/03/96/32/894039632.db2.gz TZAVQUDJJMMJHH-UHFFFAOYSA-N -1 3 377.440 3.856 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CC[C@H](OCCCc3ccccc3)C2)o1 ZINC000878174836 894073543 /nfs/dbraw/zinc/07/35/43/894073543.db2.gz HSHYNWIUYXVTOA-SFHVURJKSA-N -1 3 379.460 3.666 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2cccc(O)c2)on1 ZINC001138016580 894144387 /nfs/dbraw/zinc/14/43/87/894144387.db2.gz QTWREBDRESOIJS-UHFFFAOYSA-N -1 3 375.178 3.768 20 0 GHADHM O=c1[n-]c(CN2CCc3ccccc3[C@H]2Cc2ccccc2)nc2c1COCC2 ZINC000878300487 894177064 /nfs/dbraw/zinc/17/70/64/894177064.db2.gz FXWDBDFWVPCCQK-JOCHJYFZSA-N -1 3 387.483 3.597 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1Oc1ccccc1 ZINC000878358991 894222796 /nfs/dbraw/zinc/22/27/96/894222796.db2.gz ACWJSDCEWSJCGC-HNNXBMFYSA-N -1 3 377.444 3.898 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000778324549 894369757 /nfs/dbraw/zinc/36/97/57/894369757.db2.gz DAFMXSPHSLXIPO-UHFFFAOYSA-N -1 3 393.436 3.543 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)c1cccc(Br)c1[O-])c1ccco1 ZINC000564244998 894763642 /nfs/dbraw/zinc/76/36/42/894763642.db2.gz QQQGMQOWXLGYDW-BXUZGUMPSA-N -1 3 381.270 3.607 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001135565916 894801709 /nfs/dbraw/zinc/80/17/09/894801709.db2.gz IXJQCOVCCHBBFH-UHFFFAOYSA-N -1 3 376.438 3.701 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c([O-])c1 ZINC001170831755 894926550 /nfs/dbraw/zinc/92/65/50/894926550.db2.gz CUOJFSAVCZDWFU-MRXNPFEDSA-N -1 3 390.842 3.843 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000816975171 895234102 /nfs/dbraw/zinc/23/41/02/895234102.db2.gz BOHVGGMVIWAPGX-MRXNPFEDSA-N -1 3 375.513 3.736 20 0 GHADHM CCOC(=O)c1nc(C)oc1[N-]C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185590143 913978633 /nfs/dbraw/zinc/97/86/33/913978633.db2.gz NBYVIHWEYPLYMS-UHFFFAOYSA-N -1 3 375.278 3.962 20 0 GHADHM O=c1nc(CNC2(c3ncccn3)CCC2)[n-]c2scc(-c3ccco3)c21 ZINC000880365943 895662194 /nfs/dbraw/zinc/66/21/94/895662194.db2.gz SSRPUJVSSSGBJK-UHFFFAOYSA-N -1 3 379.445 3.616 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)c1ccccc1 ZINC000774904623 913992209 /nfs/dbraw/zinc/99/22/09/913992209.db2.gz HKUOCGHCZLLMMK-WFTPILKQSA-N -1 3 379.865 3.535 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001136029569 895920993 /nfs/dbraw/zinc/92/09/93/895920993.db2.gz DGMCLQGBZAYZPX-UHFFFAOYSA-N -1 3 394.402 3.973 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001136144807 896169588 /nfs/dbraw/zinc/16/95/88/896169588.db2.gz HWLSFTICIGQCLH-VXGBXAGGSA-N -1 3 378.416 3.755 20 0 GHADHM Cc1c2ccccc2nc(N2CCN(Cc3ccccc3)[C@H](C)C2)c1C(=O)[O-] ZINC000566290271 896219586 /nfs/dbraw/zinc/21/95/86/896219586.db2.gz DOXYDSXBPNSGQL-MRXNPFEDSA-N -1 3 375.472 3.952 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c(C)c1 ZINC001185768588 914072439 /nfs/dbraw/zinc/07/24/39/914072439.db2.gz ILTKYXTVWDDFHV-UHFFFAOYSA-N -1 3 385.416 3.695 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ccc1O ZINC000826260636 896748911 /nfs/dbraw/zinc/74/89/11/896748911.db2.gz YCJPUZCDNYCMSA-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1N1CCOCC1 ZINC000826271439 896830816 /nfs/dbraw/zinc/83/08/16/896830816.db2.gz RFOWTBVNGYNUTM-FQEVSTJZSA-N -1 3 390.491 3.501 20 0 GHADHM Cc1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1N1CCOCC1 ZINC000826271439 896830828 /nfs/dbraw/zinc/83/08/28/896830828.db2.gz RFOWTBVNGYNUTM-FQEVSTJZSA-N -1 3 390.491 3.501 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C4CCC4)C3)c2)cc1 ZINC000567070381 896847760 /nfs/dbraw/zinc/84/77/60/896847760.db2.gz TXNHJIYWQDAUEU-UHFFFAOYSA-N -1 3 398.528 3.976 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)c(F)cc1Cl ZINC001185836251 914110686 /nfs/dbraw/zinc/11/06/86/914110686.db2.gz KTHVHIMZYGPOCI-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]cnc(=N[C@@H](C)[C@H](c3ccccc3C)N(C)C)c12 ZINC000567275489 897026578 /nfs/dbraw/zinc/02/65/78/897026578.db2.gz MMXJIRDRMLSLLB-XJKSGUPXSA-N -1 3 384.505 3.532 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020816 897089469 /nfs/dbraw/zinc/08/94/69/897089469.db2.gz KJXJCFNZVBOLDK-SFHVURJKSA-N -1 3 382.443 3.737 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020816 897089486 /nfs/dbraw/zinc/08/94/86/897089486.db2.gz KJXJCFNZVBOLDK-SFHVURJKSA-N -1 3 382.443 3.737 20 0 GHADHM COc1cccc(Oc2ccc(CNC(=O)c3c([O-])cccc3OC)cn2)c1 ZINC001136289280 897098244 /nfs/dbraw/zinc/09/82/44/897098244.db2.gz ZFFYMRQARRBHFA-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000820116799 897170209 /nfs/dbraw/zinc/17/02/09/897170209.db2.gz NVSIXNOLNRZTGQ-OALUTQOASA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000820116799 897170213 /nfs/dbraw/zinc/17/02/13/897170213.db2.gz NVSIXNOLNRZTGQ-OALUTQOASA-N -1 3 382.512 3.756 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826296943 897172668 /nfs/dbraw/zinc/17/26/68/897172668.db2.gz PGCQUPJFOLYUBH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340410 897280072 /nfs/dbraw/zinc/28/00/72/897280072.db2.gz JYYFRWNUGKEULL-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340410 897280084 /nfs/dbraw/zinc/28/00/84/897280084.db2.gz JYYFRWNUGKEULL-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM Cc1cccc2nc(CSCCCOc3cccc(-c4nnn[n-]4)c3)cn21 ZINC000826304987 897313016 /nfs/dbraw/zinc/31/30/16/897313016.db2.gz GKDYYTNXLLJKLE-UHFFFAOYSA-N -1 3 380.477 3.525 20 0 GHADHM Cc1cccc2nc(CSCCCOc3cccc(-c4nn[n-]n4)c3)cn21 ZINC000826304987 897313031 /nfs/dbraw/zinc/31/30/31/897313031.db2.gz GKDYYTNXLLJKLE-UHFFFAOYSA-N -1 3 380.477 3.525 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000820742536 897529764 /nfs/dbraw/zinc/52/97/64/897529764.db2.gz LIAKVKLKFGJZQK-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000820742536 897529780 /nfs/dbraw/zinc/52/97/80/897529780.db2.gz LIAKVKLKFGJZQK-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821002204 897662903 /nfs/dbraw/zinc/66/29/03/897662903.db2.gz VAKKBSXCZKPYSN-BLLLJJGKSA-N -1 3 382.493 3.708 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821002204 897662911 /nfs/dbraw/zinc/66/29/11/897662911.db2.gz VAKKBSXCZKPYSN-BLLLJJGKSA-N -1 3 382.493 3.708 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)cc1 ZINC000821107365 897748579 /nfs/dbraw/zinc/74/85/79/897748579.db2.gz XNGMBZDGMMAWNV-UHFFFAOYSA-N -1 3 382.507 3.634 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000821481837 897920422 /nfs/dbraw/zinc/92/04/22/897920422.db2.gz PBRCVPLQAQAQBM-KRWDZBQOSA-N -1 3 398.442 3.598 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000821481837 897920436 /nfs/dbraw/zinc/92/04/36/897920436.db2.gz PBRCVPLQAQAQBM-KRWDZBQOSA-N -1 3 398.442 3.598 20 0 GHADHM Clc1cccc(SCc2cncc(Br)c2)c1-c1nnn[n-]1 ZINC000826353239 897987373 /nfs/dbraw/zinc/98/73/73/897987373.db2.gz HHCBPSZTGIBQAQ-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cccc(SCc2cncc(Br)c2)c1-c1nn[n-]n1 ZINC000826353239 897987384 /nfs/dbraw/zinc/98/73/84/897987384.db2.gz HHCBPSZTGIBQAQ-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM COc1ccc(-c2ccc(CNc3nnc(C)c(C)c3-c3nnn[n-]3)s2)cc1 ZINC000821727822 898038469 /nfs/dbraw/zinc/03/84/69/898038469.db2.gz ORSFFKGYAYXGGM-UHFFFAOYSA-N -1 3 393.476 3.623 20 0 GHADHM COc1ccc(-c2ccc(CNc3nnc(C)c(C)c3-c3nn[n-]n3)s2)cc1 ZINC000821727822 898038481 /nfs/dbraw/zinc/03/84/81/898038481.db2.gz ORSFFKGYAYXGGM-UHFFFAOYSA-N -1 3 393.476 3.623 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)c(F)cc1F)c1ccc2n[nH]cc2c1 ZINC001185991456 914219483 /nfs/dbraw/zinc/21/94/83/914219483.db2.gz QFLUDYLWFONFLZ-UHFFFAOYSA-N -1 3 377.294 3.661 20 0 GHADHM COC1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCC(c2ccccc2)CC1 ZINC000568777695 898094489 /nfs/dbraw/zinc/09/44/89/898094489.db2.gz FIGNXLNSBRSGEX-UHFFFAOYSA-N -1 3 381.476 3.532 20 0 GHADHM FC(F)(F)[C@H](NCc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826366885 898153275 /nfs/dbraw/zinc/15/32/75/898153275.db2.gz CBGIGKYCAYGYTF-QGZVFWFLSA-N -1 3 384.365 3.808 20 0 GHADHM FC(F)(F)[C@H](NCc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826366885 898153278 /nfs/dbraw/zinc/15/32/78/898153278.db2.gz CBGIGKYCAYGYTF-QGZVFWFLSA-N -1 3 384.365 3.808 20 0 GHADHM FC(F)(F)c1ccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826368308 898164064 /nfs/dbraw/zinc/16/40/64/898164064.db2.gz LBPAZEBILUSYSW-HNNXBMFYSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1ccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826368308 898164073 /nfs/dbraw/zinc/16/40/73/898164073.db2.gz LBPAZEBILUSYSW-HNNXBMFYSA-N -1 3 395.410 3.521 20 0 GHADHM O=C(Nc1ccc(OC2CCCC2)nc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001136548593 898239497 /nfs/dbraw/zinc/23/94/97/898239497.db2.gz ORGDWXTUAMMIGA-UHFFFAOYSA-N -1 3 385.370 3.775 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H](C)C1CC1 ZINC000822212033 898244341 /nfs/dbraw/zinc/24/43/41/898244341.db2.gz ZNTNLEVDHOKMQV-AWEZNQCLSA-N -1 3 377.448 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H](C)C1CC1 ZINC000822212033 898244352 /nfs/dbraw/zinc/24/43/52/898244352.db2.gz ZNTNLEVDHOKMQV-AWEZNQCLSA-N -1 3 377.448 3.739 20 0 GHADHM COC(=O)c1nc(NC(=O)CCCc2ccc([O-])c(F)c2)sc1C(C)C ZINC000569299254 898522238 /nfs/dbraw/zinc/52/22/38/898522238.db2.gz QCSVQGPNFRJBER-UHFFFAOYSA-N -1 3 380.441 3.859 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1ccc(Br)cc1F ZINC000799097798 898661821 /nfs/dbraw/zinc/66/18/21/898661821.db2.gz MCGYYUHIMVDHRQ-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM O=C(Nc1nc(-c2ccccn2)cs1)c1cc([O-])cc(Br)c1 ZINC001136636881 898670952 /nfs/dbraw/zinc/67/09/52/898670952.db2.gz QWYOFXOYFJAOMO-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C(OCc1ncc(-c2ccc(Br)cc2)o1)c1cccc2nn[n-]c21 ZINC000800207988 898742924 /nfs/dbraw/zinc/74/29/24/898742924.db2.gz JQIUTQPTNOEDJP-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1ncc(-c2ccc(Br)cc2)o1)c1cccc2[n-]nnc21 ZINC000800207988 898742939 /nfs/dbraw/zinc/74/29/39/898742939.db2.gz JQIUTQPTNOEDJP-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1ncc(-c2ccc(Br)cc2)o1)c1cccc2n[n-]nc21 ZINC000800207988 898742949 /nfs/dbraw/zinc/74/29/49/898742949.db2.gz JQIUTQPTNOEDJP-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2Cl)cc1Cl ZINC001186054652 914286546 /nfs/dbraw/zinc/28/65/46/914286546.db2.gz YPLLHRNFBNXTLT-UHFFFAOYSA-N -1 3 394.667 3.801 20 0 GHADHM O=C(c1c([O-])cccc1F)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001136675627 898866646 /nfs/dbraw/zinc/86/66/46/898866646.db2.gz CMPOFDMJGTXZMJ-UHFFFAOYSA-N -1 3 376.859 3.923 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(C)(C)c1ncccc1C ZINC000569972971 899050527 /nfs/dbraw/zinc/05/05/27/899050527.db2.gz RBBUVVUZETVRQD-UHFFFAOYSA-N -1 3 376.453 3.840 20 0 GHADHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(CC)cc2[O-])n1 ZINC001136727646 899054808 /nfs/dbraw/zinc/05/48/08/899054808.db2.gz SUMLPEFDQIYOAF-UHFFFAOYSA-N -1 3 379.416 3.569 20 0 GHADHM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570176207 899174150 /nfs/dbraw/zinc/17/41/50/899174150.db2.gz PGGCPYDWYYSGLM-UHFFFAOYSA-N -1 3 395.356 3.679 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)cc(Cl)c1[O-] ZINC000331931156 899272507 /nfs/dbraw/zinc/27/25/07/899272507.db2.gz PRVOXZXDSYNVGB-ZDUSSCGKSA-N -1 3 378.860 3.663 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000332010116 899335093 /nfs/dbraw/zinc/33/50/93/899335093.db2.gz SURMIWCVTGWYCX-SJORKVTESA-N -1 3 386.536 3.966 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Sc2nc3ccccc3s2)n1 ZINC000824154034 899429612 /nfs/dbraw/zinc/42/96/12/899429612.db2.gz DDXLNWMWEBBOMX-NSHDSACASA-N -1 3 388.518 3.632 20 0 GHADHM CC(C)Cc1noc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000824280093 899482225 /nfs/dbraw/zinc/48/22/25/899482225.db2.gz COXFHUPWZKHXPP-UHFFFAOYSA-N -1 3 384.387 3.759 20 0 GHADHM CC(C)Cc1noc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000824280093 899482233 /nfs/dbraw/zinc/48/22/33/899482233.db2.gz COXFHUPWZKHXPP-UHFFFAOYSA-N -1 3 384.387 3.759 20 0 GHADHM CC(C)OCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309271 899518112 /nfs/dbraw/zinc/51/81/12/899518112.db2.gz JJTMHEZUVRNXJR-HNNXBMFYSA-N -1 3 379.464 3.526 20 0 GHADHM CC(C)OCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309271 899518121 /nfs/dbraw/zinc/51/81/21/899518121.db2.gz JJTMHEZUVRNXJR-HNNXBMFYSA-N -1 3 379.464 3.526 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824319260 899524992 /nfs/dbraw/zinc/52/49/92/899524992.db2.gz KLHOQKXSXBDJOL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824319260 899524998 /nfs/dbraw/zinc/52/49/98/899524998.db2.gz KLHOQKXSXBDJOL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1 ZINC000332288348 899544659 /nfs/dbraw/zinc/54/46/59/899544659.db2.gz IWCIPUHALRICAU-INIZCTEOSA-N -1 3 393.892 3.770 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC001136875987 899603360 /nfs/dbraw/zinc/60/33/60/899603360.db2.gz PFEVJEMYTOKGKA-UHFFFAOYSA-N -1 3 379.485 3.625 20 0 GHADHM C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479172 899623844 /nfs/dbraw/zinc/62/38/44/899623844.db2.gz LSGLQXMPUTWYPO-YWZLYKJASA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479172 899623851 /nfs/dbraw/zinc/62/38/51/899623851.db2.gz LSGLQXMPUTWYPO-YWZLYKJASA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)COC1(C)CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480077 899624047 /nfs/dbraw/zinc/62/40/47/899624047.db2.gz SLZUAYONKZTMNV-HNNXBMFYSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)COC1(C)CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480077 899624059 /nfs/dbraw/zinc/62/40/59/899624059.db2.gz SLZUAYONKZTMNV-HNNXBMFYSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824536971 899662197 /nfs/dbraw/zinc/66/21/97/899662197.db2.gz BLESNVMPSMNSKY-FZKQIMNGSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824536971 899662212 /nfs/dbraw/zinc/66/22/12/899662212.db2.gz BLESNVMPSMNSKY-FZKQIMNGSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824536972 899662474 /nfs/dbraw/zinc/66/24/74/899662474.db2.gz BLESNVMPSMNSKY-SCLBCKFNSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824536972 899662477 /nfs/dbraw/zinc/66/24/77/899662477.db2.gz BLESNVMPSMNSKY-SCLBCKFNSA-N -1 3 393.882 3.694 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)s1 ZINC000570881106 899663600 /nfs/dbraw/zinc/66/36/00/899663600.db2.gz RPODLQXXBORIKW-RNCFNFMXSA-N -1 3 388.308 3.620 20 0 GHADHM C[C@@H](NC(=O)NCC1CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499572 899667845 /nfs/dbraw/zinc/66/78/45/899667845.db2.gz PSJYZCOXDCBWDN-CQSZACIVSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@@H](NC(=O)NCC1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499572 899667856 /nfs/dbraw/zinc/66/78/56/899667856.db2.gz PSJYZCOXDCBWDN-CQSZACIVSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCC1 ZINC000824500617 899669503 /nfs/dbraw/zinc/66/95/03/899669503.db2.gz YNEAWYGOIYBJST-LBPRGKRZSA-N -1 3 382.493 3.583 20 0 GHADHM C[C@@H](c1nc(Cc2ccccc2)no1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000571172866 899766708 /nfs/dbraw/zinc/76/67/08/899766708.db2.gz LTMZYCYRFUXQBL-KFKAGJAMSA-N -1 3 377.444 3.522 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826404304 899833758 /nfs/dbraw/zinc/83/37/58/899833758.db2.gz VRRGKUYKXPRXSP-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826404304 899833762 /nfs/dbraw/zinc/83/37/62/899833762.db2.gz VRRGKUYKXPRXSP-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM CC[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332712801 899865396 /nfs/dbraw/zinc/86/53/96/899865396.db2.gz VJRYIODFDQLHJN-YGRLFVJLSA-N -1 3 396.260 3.544 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C ZINC000825114921 899986213 /nfs/dbraw/zinc/98/62/13/899986213.db2.gz RRJOISDNONQKHB-UHFFFAOYSA-N -1 3 384.488 3.542 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C ZINC000825114921 899986224 /nfs/dbraw/zinc/98/62/24/899986224.db2.gz RRJOISDNONQKHB-UHFFFAOYSA-N -1 3 384.488 3.542 20 0 GHADHM CC[C@@H]1C[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825182367 900014516 /nfs/dbraw/zinc/01/45/16/900014516.db2.gz IMRIESKVZHMLMV-APWZRJJASA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@@H]1C[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825182367 900014527 /nfs/dbraw/zinc/01/45/27/900014527.db2.gz IMRIESKVZHMLMV-APWZRJJASA-N -1 3 394.431 3.773 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304719 900080443 /nfs/dbraw/zinc/08/04/43/900080443.db2.gz HNPNLWXEEOVIFY-MRXNPFEDSA-N -1 3 390.487 3.985 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)nn1C(CC)CC ZINC000825317992 900089572 /nfs/dbraw/zinc/08/95/72/900089572.db2.gz GLHCEVNIIMQWSL-UHFFFAOYSA-N -1 3 395.511 3.785 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)nn1C(CC)CC ZINC000825317992 900089577 /nfs/dbraw/zinc/08/95/77/900089577.db2.gz GLHCEVNIIMQWSL-UHFFFAOYSA-N -1 3 395.511 3.785 20 0 GHADHM Cc1ccc(CNCc2cccc([O-])c2Br)c(O[C@H]2CCOC2)c1 ZINC000572220934 900109760 /nfs/dbraw/zinc/10/97/60/900109760.db2.gz XYVROJOQANZBTL-INIZCTEOSA-N -1 3 392.293 3.921 20 0 GHADHM Cc1cc(C(=O)OCc2nnc(-c3ccccc3[O-])o2)c(C)n1C1CCOCC1 ZINC000884580164 900181613 /nfs/dbraw/zinc/18/16/13/900181613.db2.gz UJPWSQUECUJLFM-UHFFFAOYSA-N -1 3 397.431 3.569 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1ccc(C2CCOCC2)cc1 ZINC000884602334 900193857 /nfs/dbraw/zinc/19/38/57/900193857.db2.gz JSVIJWKAPLITIS-UHFFFAOYSA-N -1 3 380.400 3.693 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NCC1CCCCC1 ZINC000826420644 900234470 /nfs/dbraw/zinc/23/44/70/900234470.db2.gz VQUGMLJDQZIEMC-UHFFFAOYSA-N -1 3 399.442 3.674 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NCC1CCCCC1 ZINC000826420644 900234476 /nfs/dbraw/zinc/23/44/76/900234476.db2.gz VQUGMLJDQZIEMC-UHFFFAOYSA-N -1 3 399.442 3.674 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCCOCC4)n3)n[n-]2)c1 ZINC000572762149 900269431 /nfs/dbraw/zinc/26/94/31/900269431.db2.gz FDPUMPVNCWGDMV-SNVBAGLBSA-N -1 3 390.241 3.568 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCCn2c(cc3ccccc32)C1 ZINC000573007240 900338744 /nfs/dbraw/zinc/33/87/44/900338744.db2.gz HQHAQJGJPYJRMW-UHFFFAOYSA-N -1 3 393.393 3.807 20 0 GHADHM CC[C@@H](c1ccccc1)N(CCCS(=O)(=O)c1cccc(C)c1)CC(=O)[O-] ZINC000573221930 900419543 /nfs/dbraw/zinc/41/95/43/900419543.db2.gz VYRTWVKKTUFBMF-FQEVSTJZSA-N -1 3 389.517 3.697 20 0 GHADHM CCON(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)C ZINC000844074835 900505751 /nfs/dbraw/zinc/50/57/51/900505751.db2.gz JVQJRPAACKNNQM-UHFFFAOYSA-N -1 3 387.661 3.746 20 0 GHADHM Cc1cnn([C@@H]2CCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)C2)c1 ZINC000289968531 914456086 /nfs/dbraw/zinc/45/60/86/914456086.db2.gz RAKSNWMARGRWLD-CYBMUJFWSA-N -1 3 381.461 3.609 20 0 GHADHM O=C(Nc1ccccc1Nc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000826457538 900663880 /nfs/dbraw/zinc/66/38/80/900663880.db2.gz GEHXPUKOJXPLMD-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Nc1ccccc1Nc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000826457538 900663883 /nfs/dbraw/zinc/66/38/83/900663883.db2.gz GEHXPUKOJXPLMD-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1coc(-c2ccccc2Cl)n1 ZINC000826468349 900709468 /nfs/dbraw/zinc/70/94/68/900709468.db2.gz MMHVOWXEYBAABR-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1coc(-c2ccccc2Cl)n1 ZINC000826468349 900709475 /nfs/dbraw/zinc/70/94/75/900709475.db2.gz MMHVOWXEYBAABR-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CC[C@H](C2CC2)C1 ZINC000826474613 900855819 /nfs/dbraw/zinc/85/58/19/900855819.db2.gz XSIRVXZUVVJQMC-KRWDZBQOSA-N -1 3 375.432 3.531 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CC[C@H](C2CC2)C1 ZINC000826474613 900855827 /nfs/dbraw/zinc/85/58/27/900855827.db2.gz XSIRVXZUVVJQMC-KRWDZBQOSA-N -1 3 375.432 3.531 20 0 GHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2cncc(Br)c2)c1Cl ZINC001186413109 914497417 /nfs/dbraw/zinc/49/74/17/914497417.db2.gz DYEBJXBRKTWUSJ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1F ZINC000574851255 901038001 /nfs/dbraw/zinc/03/80/01/901038001.db2.gz ZJOJJMNYNHGEEK-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COc1ccc2c(c1)CCCN(C(=O)c1c[n-]c3c(Cl)cccc3c1=O)C2 ZINC001144078342 901044202 /nfs/dbraw/zinc/04/42/02/901044202.db2.gz KDCWSPZXSFOXDN-UHFFFAOYSA-N -1 3 382.847 3.779 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H](OCc3ccccn3)C2)c1C ZINC000574919107 901052995 /nfs/dbraw/zinc/05/29/95/901052995.db2.gz LRFXDRAFVHFKJM-QGZVFWFLSA-N -1 3 377.444 3.740 20 0 GHADHM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000575204629 901157161 /nfs/dbraw/zinc/15/71/61/901157161.db2.gz MMHKOHNEBAWVEP-OAHLLOKOSA-N -1 3 377.301 3.612 20 0 GHADHM O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000070932299 901161837 /nfs/dbraw/zinc/16/18/37/901161837.db2.gz ARUNWAKBSFITKG-UHFFFAOYSA-N -1 3 376.815 3.676 20 0 GHADHM COc1cc(-c2noc(CO[N-]C(=O)CCCc3ccccc3)n2)ccc1C ZINC000138664982 901228068 /nfs/dbraw/zinc/22/80/68/901228068.db2.gz QISSOPMRFZBWTF-UHFFFAOYSA-N -1 3 381.432 3.624 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(Cl)c1 ZINC001186419051 914544053 /nfs/dbraw/zinc/54/40/53/914544053.db2.gz XUDRGLZGSYCGGM-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM O=C([N-]Cc1cn(C2CCC2)nn1)C(F)(F)c1cccc(Cl)c1Cl ZINC001144307403 901692993 /nfs/dbraw/zinc/69/29/93/901692993.db2.gz SLZIQBRODKDQLY-UHFFFAOYSA-N -1 3 375.206 3.718 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000845272463 901996965 /nfs/dbraw/zinc/99/69/65/901996965.db2.gz RRYUENNCVVXBGV-UHFFFAOYSA-N -1 3 397.431 3.818 20 0 GHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)nn1-c1ccc(F)cc1F ZINC000576406342 902003388 /nfs/dbraw/zinc/00/33/88/902003388.db2.gz PPVKZAZKZUTYBE-UHFFFAOYSA-N -1 3 389.377 3.687 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1OC ZINC000125396722 902207739 /nfs/dbraw/zinc/20/77/39/902207739.db2.gz KZCIMLKILRTPOL-LJQANCHMSA-N -1 3 388.489 3.589 20 0 GHADHM O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502974 902283898 /nfs/dbraw/zinc/28/38/98/902283898.db2.gz QEMGBLCLEJNNAE-CYBMUJFWSA-N -1 3 384.823 3.586 20 0 GHADHM CCCO[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000126317376 902308978 /nfs/dbraw/zinc/30/89/78/902308978.db2.gz SNNRHNSTBNKSHW-AWEZNQCLSA-N -1 3 385.302 3.645 20 0 GHADHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000263682347 902390222 /nfs/dbraw/zinc/39/02/22/902390222.db2.gz HHEKGGUEMYXSEO-UHFFFAOYSA-N -1 3 399.491 3.898 20 0 GHADHM Cc1noc([C@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)n1 ZINC000263723313 902437499 /nfs/dbraw/zinc/43/74/99/902437499.db2.gz XBVIGLYOTXZBBB-SFHVURJKSA-N -1 3 377.444 3.694 20 0 GHADHM COc1cc(CN(C)CCOc2ccccc2C(=O)[O-])ccc1OC(F)F ZINC000577052431 902468499 /nfs/dbraw/zinc/46/84/99/902468499.db2.gz CNHYQYONSMHNSG-UHFFFAOYSA-N -1 3 381.375 3.506 20 0 GHADHM O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000042055595 902512652 /nfs/dbraw/zinc/51/26/52/902512652.db2.gz LIDMMICPLGQJRR-OAQYLSRUSA-N -1 3 398.466 3.580 20 0 GHADHM CC[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000290330821 914631983 /nfs/dbraw/zinc/63/19/83/914631983.db2.gz JKVAVSMKFLZSND-JKSUJKDBSA-N -1 3 384.442 3.796 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144629126 902533319 /nfs/dbraw/zinc/53/33/19/902533319.db2.gz VCEKQKFMYNSPLK-RTBURBONSA-N -1 3 385.435 3.759 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2c1cccc2NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631283 902537752 /nfs/dbraw/zinc/53/77/52/902537752.db2.gz NCNUTOFNLFUBLJ-UHFFFAOYSA-N -1 3 385.395 3.845 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC001144633489 902540655 /nfs/dbraw/zinc/54/06/55/902540655.db2.gz YEHVRMUBCGLZIR-OAHLLOKOSA-N -1 3 378.241 3.510 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000845973800 902553966 /nfs/dbraw/zinc/55/39/66/902553966.db2.gz DBRMMPMNIWDZSX-HUUCEWRRSA-N -1 3 382.284 3.916 20 0 GHADHM CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144651348 902559801 /nfs/dbraw/zinc/55/98/01/902559801.db2.gz NNIIKQQAMDPIIU-INIZCTEOSA-N -1 3 392.446 3.519 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4cc(F)c([O-])cc4F)C3)CC2=O)s1 ZINC001144655106 902567046 /nfs/dbraw/zinc/56/70/46/902567046.db2.gz YSCZLEDHNCJDEA-IBGZPJMESA-N -1 3 378.444 3.669 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1sccc1C(=O)[O-] ZINC001144677731 902618292 /nfs/dbraw/zinc/61/82/92/902618292.db2.gz AKVMHTBOGQJWON-LZWOXQAQSA-N -1 3 378.538 3.742 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC([C@](C)(O)C(F)(F)F)CC3)c2c1 ZINC000577377626 902724801 /nfs/dbraw/zinc/72/48/01/902724801.db2.gz RQCCGAYERJRGLP-SFHVURJKSA-N -1 3 382.382 3.771 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000577469411 902797743 /nfs/dbraw/zinc/79/77/43/902797743.db2.gz MAJHSLYCOQKIIX-AWEZNQCLSA-N -1 3 392.249 3.883 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1CO ZINC001186655001 914709940 /nfs/dbraw/zinc/70/99/40/914709940.db2.gz AJWDALKZNLYRGG-UHFFFAOYSA-N -1 3 383.469 3.867 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000887751980 903755983 /nfs/dbraw/zinc/75/59/83/903755983.db2.gz WNYJVRVVBZDICC-UHFFFAOYSA-N -1 3 384.914 3.947 20 0 GHADHM Cc1cnn(-c2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc2F)c1 ZINC001147304958 903762635 /nfs/dbraw/zinc/76/26/35/903762635.db2.gz UOXDQBFDXHAQCT-UHFFFAOYSA-N -1 3 398.344 3.692 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@H](CCF)C1 ZINC001147371205 903772064 /nfs/dbraw/zinc/77/20/64/903772064.db2.gz VXOYICLRJFMFGY-LLVKDONJSA-N -1 3 386.345 3.639 20 0 GHADHM COc1cccc([C@]2(C)CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)c1 ZINC001147427612 903778098 /nfs/dbraw/zinc/77/80/98/903778098.db2.gz ONOWIQYNWDCTIM-JOCHJYFZSA-N -1 3 398.409 3.619 20 0 GHADHM O=C([N-]N1CCOC1=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001147459356 903789520 /nfs/dbraw/zinc/78/95/20/903789520.db2.gz JLCHEISYFPLRJT-UHFFFAOYSA-N -1 3 381.215 3.669 20 0 GHADHM Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)oc1C ZINC001147967579 903922936 /nfs/dbraw/zinc/92/29/36/903922936.db2.gz ZJAGNKBPJAFRMX-UHFFFAOYSA-N -1 3 397.522 3.606 20 0 GHADHM CCC(C)(C)OCc1cccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1C ZINC000887866961 903969679 /nfs/dbraw/zinc/96/96/79/903969679.db2.gz GMBYJCXPMIXRIS-UHFFFAOYSA-N -1 3 390.509 3.806 20 0 GHADHM Cn1ccnc1COc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000646687961 914776682 /nfs/dbraw/zinc/77/66/82/914776682.db2.gz OLBOZUPADCXMNS-UHFFFAOYSA-N -1 3 391.349 3.976 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000888013040 904141417 /nfs/dbraw/zinc/14/14/17/904141417.db2.gz XVXRRHXIDPHDKU-UHFFFAOYSA-N -1 3 394.884 3.625 20 0 GHADHM CC(=O)c1cc(C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)ccc1[O-] ZINC001148662932 904162508 /nfs/dbraw/zinc/16/25/08/904162508.db2.gz UTSBYLVISQOWPT-KKSFZXQISA-N -1 3 380.488 3.577 20 0 GHADHM CC(=O)c1cc(C(=O)NCc2ccc(C3(C(F)(F)F)N=N3)cc2)ccc1[O-] ZINC001148669406 904165804 /nfs/dbraw/zinc/16/58/04/904165804.db2.gz WLOPGQGPUZJEDT-UHFFFAOYSA-N -1 3 377.322 3.706 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H]1CCC[C@@H]1C ZINC000578991123 904280954 /nfs/dbraw/zinc/28/09/54/904280954.db2.gz CQYBPNYECJCBLY-LIRRHRJNSA-N -1 3 384.480 3.827 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000579337249 904527386 /nfs/dbraw/zinc/52/73/86/904527386.db2.gz HVRCJIYMCBJUFB-GOSISDBHSA-N -1 3 392.356 3.878 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)N3CC[C@](C(=O)[O-])(c4ccccc4)C3)n2)cc1 ZINC000579484019 904639421 /nfs/dbraw/zinc/63/94/21/904639421.db2.gz FHQHDLFATUVTSR-IVZQSRNASA-N -1 3 393.443 3.535 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC4(CCCC4)[C@@H]3C(C)C)c(=O)c2c(OC)c1 ZINC000627700105 905712623 /nfs/dbraw/zinc/71/26/23/905712623.db2.gz UAZNBIZIPMEARN-FQEVSTJZSA-N -1 3 384.476 3.586 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C4CCCCC4)C3)c(=O)c2c(OC)c1 ZINC000628075969 905929994 /nfs/dbraw/zinc/92/99/94/905929994.db2.gz JNCIBRSDWFCKKT-HNNXBMFYSA-N -1 3 384.476 3.588 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1OC ZINC000901522445 921198450 /nfs/dbraw/zinc/19/84/50/921198450.db2.gz LSIACDNHCOZUDP-UGSOOPFHSA-N -1 3 398.297 3.543 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000178758135 906380978 /nfs/dbraw/zinc/38/09/78/906380978.db2.gz PUOAFPUVPAUFCE-IBGZPJMESA-N -1 3 399.472 3.808 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000466862954 921237051 /nfs/dbraw/zinc/23/70/51/921237051.db2.gz MESGVIUULFSEOM-CQSZACIVSA-N -1 3 395.349 3.650 20 0 GHADHM O=c1[n-]nc(S[C@@H]2CCO[C@H](c3ccncc3)C2)n1CCc1ccccc1 ZINC000629101694 906509088 /nfs/dbraw/zinc/50/90/88/906509088.db2.gz YGOLMHWOBPCQQW-MSOLQXFVSA-N -1 3 382.489 3.634 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000179503800 906514800 /nfs/dbraw/zinc/51/48/00/906514800.db2.gz AVEXSIHTXRLAKD-DFHBCGBQSA-N -1 3 383.448 3.734 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2ccc(Br)c(C(F)(F)F)c2)no1 ZINC001212753865 906695536 /nfs/dbraw/zinc/69/55/36/906695536.db2.gz QWANRXXLKQRYQJ-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM O=S(=O)(NCc1ccccc1)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174250695 906903759 /nfs/dbraw/zinc/90/37/59/906903759.db2.gz QQNLKCYXDFBGLG-UHFFFAOYSA-N -1 3 390.411 3.893 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)c(C)o1 ZINC000182791292 907265878 /nfs/dbraw/zinc/26/58/78/907265878.db2.gz CXHZLOGVKBXGNL-UHFFFAOYSA-N -1 3 384.885 3.831 20 0 GHADHM CCOc1cc(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c(F)cc1OC ZINC000630455004 907290833 /nfs/dbraw/zinc/29/08/33/907290833.db2.gz JKBQEJHPXPTVIY-INIZCTEOSA-N -1 3 399.821 3.811 20 0 GHADHM COCCOc1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000192158000 907485233 /nfs/dbraw/zinc/48/52/33/907485233.db2.gz ZTVVKGRZKWMJMX-UHFFFAOYSA-N -1 3 383.366 3.521 20 0 GHADHM Cc1c(I)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429769 907549003 /nfs/dbraw/zinc/54/90/03/907549003.db2.gz PBVKWMPXNJLOSJ-UHFFFAOYSA-N -1 3 377.189 3.523 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](c4cccnc4)C3)cc2)cc(=O)[n-]1 ZINC000631532962 907746136 /nfs/dbraw/zinc/74/61/36/907746136.db2.gz GYACJOLTANLOAJ-SFHVURJKSA-N -1 3 389.459 3.964 20 0 GHADHM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000901607867 921395706 /nfs/dbraw/zinc/39/57/06/921395706.db2.gz XGKXNOYCJJDZAF-HUUCEWRRSA-N -1 3 399.318 3.529 20 0 GHADHM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 ZINC000901629069 921412724 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GHADHM O=C([O-])CCN(CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@H]1CCCO1 ZINC000901678312 921462206 /nfs/dbraw/zinc/46/22/06/921462206.db2.gz PEBAEZNXAUTFBD-OAHLLOKOSA-N -1 3 386.275 3.725 20 0 GHADHM O=C([O-])CCN(Cc1cc2ccccc2nc1N1CCCCC1)C[C@@H]1CCCO1 ZINC000901680990 921467208 /nfs/dbraw/zinc/46/72/08/921467208.db2.gz JNEVCGSFRUYMSX-FQEVSTJZSA-N -1 3 397.519 3.681 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1OC ZINC000266381095 909116350 /nfs/dbraw/zinc/11/63/50/909116350.db2.gz DOBFXMZQOMTSBE-UHFFFAOYSA-N -1 3 395.525 3.645 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c([O-])c1C ZINC000266508713 909201065 /nfs/dbraw/zinc/20/10/65/909201065.db2.gz MLGKVSNDSYQRDQ-AWEZNQCLSA-N -1 3 386.879 3.885 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000795203324 909320808 /nfs/dbraw/zinc/32/08/08/909320808.db2.gz HKYSTIPTOUJOHR-ZDUSSCGKSA-N -1 3 390.155 3.846 20 0 GHADHM C[C@H](NC(=O)c1cc2c(ccnc2Cl)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182022 909398311 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20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Oc2nccs2)c1 ZINC000636319361 909537437 /nfs/dbraw/zinc/53/74/37/909537437.db2.gz NTOSEIHDNZUQKH-UHFFFAOYSA-N -1 3 382.445 3.629 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318647 909538127 /nfs/dbraw/zinc/53/81/27/909538127.db2.gz CICVYWFFWPPLNC-UHFFFAOYSA-N -1 3 376.460 3.694 20 0 GHADHM COc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc(OC)c1C(C)C ZINC000636320964 909541763 /nfs/dbraw/zinc/54/17/63/909541763.db2.gz WMKRJSIWXFTCKN-UHFFFAOYSA-N -1 3 385.464 3.520 20 0 GHADHM CC(C)(C)n1ncc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1C(F)(F)F ZINC000636351226 909555594 /nfs/dbraw/zinc/55/55/94/909555594.db2.gz CSXHOFDJWBAMTN-SECBINFHSA-N -1 3 389.403 3.612 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CCn2ncc3ccccc32)c([O-])c1 ZINC001180061014 909920334 /nfs/dbraw/zinc/92/03/34/909920334.db2.gz AQVJRJNLEVCYOV-UHFFFAOYSA-N -1 3 381.432 3.726 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)c(=O)[n-]1 ZINC000637746702 909959728 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3.825 20 0 GHADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182971396 912159016 /nfs/dbraw/zinc/15/90/16/912159016.db2.gz BRVSAYILDUBXIN-FQEVSTJZSA-N -1 3 382.504 3.772 20 0 GHADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001186961692 914920228 /nfs/dbraw/zinc/92/02/28/914920228.db2.gz QVFFLHPNZFWVMT-LLVKDONJSA-N -1 3 394.846 3.997 20 0 GHADHM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H]3CCCN(CCc4ccccc4)C3)c2C)o1 ZINC000646921412 914926480 /nfs/dbraw/zinc/92/64/80/914926480.db2.gz ANVLYXOIWAYZDN-IBGZPJMESA-N -1 3 392.503 3.602 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000291032736 914929547 /nfs/dbraw/zinc/92/95/47/914929547.db2.gz ZASARKWQDFAWRL-UHFFFAOYSA-N -1 3 394.493 3.648 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(F)c1 ZINC001187001927 914968927 /nfs/dbraw/zinc/96/89/27/914968927.db2.gz KTHJWYAWZUDHMV-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1ccccc1C1OCCO1 ZINC001187071606 915002974 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C[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)Oc1ccc(F)cc1 ZINC001187433876 915288972 /nfs/dbraw/zinc/28/89/72/915288972.db2.gz PRCACQIJMNIPGO-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C)cc3)C2)sc1Cl ZINC001187434344 915290625 /nfs/dbraw/zinc/29/06/25/915290625.db2.gz WDKAYRRVNIQQIH-AWEZNQCLSA-N -1 3 384.954 3.966 20 0 GHADHM CC(C)c1cc2ncc([N-]S(=O)(=O)CCc3cccc4ccccc43)cn2n1 ZINC001187616797 915386595 /nfs/dbraw/zinc/38/65/95/915386595.db2.gz KNSAQOUYFLICRT-UHFFFAOYSA-N -1 3 394.500 3.990 20 0 GHADHM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000291844624 915387327 /nfs/dbraw/zinc/38/73/27/915387327.db2.gz NSAXXZDLGXBQAK-NVXWUHKLSA-N -1 3 398.507 3.702 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1ccco1 ZINC001187667078 915425797 /nfs/dbraw/zinc/42/57/97/915425797.db2.gz NEYOFLYUJWXEGU-LJQANCHMSA-N -1 3 393.505 3.905 20 0 GHADHM CC(C)n1cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(C(F)(F)F)c1 ZINC001187785182 915546650 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O=C(CCCc1ccc([O-])c(F)c1)NCC[C@H]1CSc2ccccc2O1 ZINC000648964604 915952341 /nfs/dbraw/zinc/95/23/41/915952341.db2.gz FUNRKFJTKYTHFH-HNNXBMFYSA-N -1 3 375.465 3.914 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000649066263 916010633 /nfs/dbraw/zinc/01/06/33/916010633.db2.gz FTKXWKLPRSTCSP-HOCLYGCPSA-N -1 3 382.508 3.840 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)c1ccc2ccccc2c1 ZINC001188508564 916023973 /nfs/dbraw/zinc/02/39/73/916023973.db2.gz XOZNFQFUOMYBSK-GOSISDBHSA-N -1 3 377.506 3.656 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000293193225 916055986 /nfs/dbraw/zinc/05/59/86/916055986.db2.gz PRZUDUZIRYYGSW-UHFFFAOYSA-N -1 3 392.239 3.732 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)[C@@H](C)[C@H]1OC ZINC001188741091 916169788 /nfs/dbraw/zinc/16/97/88/916169788.db2.gz IEWXQDIRDNGJPI-CSMYWGQOSA-N -1 3 383.485 3.998 20 0 GHADHM O=S(=O)([N-]c1cnnc(Cl)c1Cl)c1ccc(Oc2cccnc2)cc1 ZINC001188860019 916236822 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O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1nc2ccccc2nc1Cl ZINC001189073237 916389857 /nfs/dbraw/zinc/38/98/57/916389857.db2.gz LZBXFPOGZHGTPH-UHFFFAOYSA-N -1 3 382.272 3.921 20 0 GHADHM CC(C)COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)cc1 ZINC001189311209 916542277 /nfs/dbraw/zinc/54/22/77/916542277.db2.gz XTKMUXWJAQOFGQ-UHFFFAOYSA-N -1 3 383.416 3.720 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1F ZINC001189385311 916581323 /nfs/dbraw/zinc/58/13/23/916581323.db2.gz KAPRCCGXLIIDHY-UHFFFAOYSA-N -1 3 395.358 3.845 20 0 GHADHM CC(C)c1cc(Br)c(NC(=O)c2cnn[n-]2)c(Br)c1 ZINC001189349946 916590240 /nfs/dbraw/zinc/59/02/40/916590240.db2.gz ZMBUVYHEFTXSIG-UHFFFAOYSA-N -1 3 388.063 3.705 20 0 GHADHM CC(C)c1cc(Br)c(NC(=O)c2c[n-]nn2)c(Br)c1 ZINC001189349946 916590253 /nfs/dbraw/zinc/59/02/53/916590253.db2.gz ZMBUVYHEFTXSIG-UHFFFAOYSA-N -1 3 388.063 3.705 20 0 GHADHM CC(C)c1cc(Br)c(NC(=O)c2cn[n-]n2)c(Br)c1 ZINC001189349946 916590268 /nfs/dbraw/zinc/59/02/68/916590268.db2.gz 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C[C@@H](CCCC(C)(C)O)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189766159 916902154 /nfs/dbraw/zinc/90/21/54/916902154.db2.gz VTPZTVYIBLXQLT-JTQLQIEISA-N -1 3 398.750 3.711 20 0 GHADHM O=S(=O)([N-]CCOC1CCCCC1)c1cc(Br)ccc1Cl ZINC001189771917 916906812 /nfs/dbraw/zinc/90/68/12/916906812.db2.gz MMNJLJSAOJLRHS-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM COc1cc(Br)cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189827359 916952122 /nfs/dbraw/zinc/95/21/22/916952122.db2.gz NJEBHLWULQNMPT-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCCC(=O)[O-] ZINC000294740746 916955162 /nfs/dbraw/zinc/95/51/62/916955162.db2.gz JUDLVYALFPJTAS-OALUTQOASA-N -1 3 376.497 3.753 20 0 GHADHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1nc2cc(Br)ccc2[n-]1 ZINC001151826740 917019359 /nfs/dbraw/zinc/01/93/59/917019359.db2.gz JQWTXOBTOCFENG-UHFFFAOYSA-N -1 3 399.248 3.705 20 0 GHADHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1nc2ccc(Br)cc2[n-]1 ZINC001151826740 917019375 /nfs/dbraw/zinc/01/93/75/917019375.db2.gz JQWTXOBTOCFENG-UHFFFAOYSA-N -1 3 399.248 3.705 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189986785 917046423 /nfs/dbraw/zinc/04/64/23/917046423.db2.gz WEFCKAPVSRJENG-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC001190025737 917063437 /nfs/dbraw/zinc/06/34/37/917063437.db2.gz USZKJHXBYBKTTF-YYULODDRSA-N -1 3 392.546 3.704 20 0 GHADHM COc1cc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C(F)(F)C2)c(OC)c1 ZINC001190138018 917122758 /nfs/dbraw/zinc/12/27/58/917122758.db2.gz QIGONJPTAJYHPX-OAHLLOKOSA-N -1 3 377.387 3.674 20 0 GHADHM Cc1nc2ccc(F)cn2c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190303032 917233108 /nfs/dbraw/zinc/23/31/08/917233108.db2.gz RLWOPOFOBCUDJF-UHFFFAOYSA-N -1 3 391.321 3.741 20 0 GHADHM CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]CC[C@]1(C)CC1(Cl)Cl ZINC001190364441 917256551 /nfs/dbraw/zinc/25/65/51/917256551.db2.gz RUOKOQBQFBNIHB-CQSZACIVSA-N -1 3 384.300 3.865 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000651097954 917426075 /nfs/dbraw/zinc/42/60/75/917426075.db2.gz COYRUMUJOGGBBA-UWVGGRQHSA-N -1 3 382.176 3.841 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CC1 ZINC001190592951 917435459 /nfs/dbraw/zinc/43/54/59/917435459.db2.gz IOBLQIWAAXCIRI-QGZVFWFLSA-N -1 3 397.855 3.695 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1cccc(C)c1 ZINC001190602818 917442527 /nfs/dbraw/zinc/44/25/27/917442527.db2.gz ZQXOGICLDBNXNY-UHFFFAOYSA-N -1 3 381.881 3.649 20 0 GHADHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(C)c1 ZINC001190706251 917496010 /nfs/dbraw/zinc/49/60/10/917496010.db2.gz FMZPNVFSICQRCV-UHFFFAOYSA-N -1 3 393.896 3.749 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 ZINC001190870004 917618473 /nfs/dbraw/zinc/61/84/73/917618473.db2.gz GXMFRFMEDTWSGC-OAHLLOKOSA-N -1 3 375.428 3.839 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2cc(OC)cnc2Br)cc1 ZINC001191232689 917869379 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O=C(Cc1nc(NC(=O)c2ccc(Oc3ccccc3)nc2)n[n-]1)c1ccccc1 ZINC001192071510 918405430 /nfs/dbraw/zinc/40/54/30/918405430.db2.gz OEVGUNXBJNBBGR-UHFFFAOYSA-N -1 3 399.410 3.670 20 0 GHADHM Cc1cccc(COc2ccc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2)c1 ZINC000654496181 919154746 /nfs/dbraw/zinc/15/47/46/919154746.db2.gz MBZBXRJMPRXAOY-UHFFFAOYSA-N -1 3 389.455 3.877 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cccc(Br)c1 ZINC000016098919 919403574 /nfs/dbraw/zinc/40/35/74/919403574.db2.gz WCTCMMWYJHNALL-UHFFFAOYSA-N -1 3 381.295 3.850 20 0 GHADHM CC(=O)c1ccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000016240321 919416300 /nfs/dbraw/zinc/41/63/00/919416300.db2.gz AZJUXWDYSBTEKA-UHFFFAOYSA-N -1 3 382.272 3.827 20 0 GHADHM CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000115646991 919464223 /nfs/dbraw/zinc/46/42/23/919464223.db2.gz UQDIFGXPPHMJOY-ZBFHGGJFSA-N -1 3 381.432 3.873 20 0 GHADHM CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000115646991 919464230 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3.754 20 0 GHADHM CC[C@@](O)(C(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000800519151 920235420 /nfs/dbraw/zinc/23/54/20/920235420.db2.gz MHRSRNPWNPGVRZ-KRWDZBQOSA-N -1 3 398.684 3.722 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCc3cc(C(F)(F)F)ccc32)c(=O)[n-]1 ZINC000298395359 920488636 /nfs/dbraw/zinc/48/86/36/920488636.db2.gz UXJZGCWPPYPRPD-UHFFFAOYSA-N -1 3 379.382 3.730 20 0 GHADHM CC1([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CCC(F)(F)CC1 ZINC000800930091 920616261 /nfs/dbraw/zinc/61/62/61/920616261.db2.gz CYGDIXVXDDPAKG-UHFFFAOYSA-N -1 3 377.840 3.715 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([O-])c1 ZINC000298748149 920882975 /nfs/dbraw/zinc/88/29/75/920882975.db2.gz VHDWIQSEKDVISI-QGZVFWFLSA-N -1 3 382.508 3.853 20 0 GHADHM COc1cc(CNCc2cc(C(=O)[O-])cs2)cc(Br)c1OC ZINC000902206411 921986813 /nfs/dbraw/zinc/98/68/13/921986813.db2.gz AILFKBQOKXSXEC-UHFFFAOYSA-N -1 3 386.267 3.516 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1)C(=O)[O-] ZINC000902344390 922105465 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CO[C@]1(C(F)(F)F)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000682038140 925988910 /nfs/dbraw/zinc/98/89/10/925988910.db2.gz CGVXEGYXUCTSPS-QGZVFWFLSA-N -1 3 381.354 3.625 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1[O-] ZINC000411230686 926232789 /nfs/dbraw/zinc/23/27/89/926232789.db2.gz VWGCNUJQBCEMOW-UHFFFAOYSA-N -1 3 390.443 3.832 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Br)cnc1Cl ZINC000725880981 926478161 /nfs/dbraw/zinc/47/81/61/926478161.db2.gz KBPYJRDRYAIHPE-UHFFFAOYSA-N -1 3 385.630 3.861 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1F ZINC000725993492 926522797 /nfs/dbraw/zinc/52/27/97/926522797.db2.gz LNPUZLSGDKYDFQ-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM Cc1nc(C)c(CC(=O)OC(Cc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000726345694 926634512 /nfs/dbraw/zinc/63/45/12/926634512.db2.gz JURJNUZLYQDTEF-UHFFFAOYSA-N -1 3 376.456 3.739 20 0 GHADHM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000749299775 927042563 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378.270 3.593 20 0 GHADHM O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000469524036 929965905 /nfs/dbraw/zinc/96/59/05/929965905.db2.gz SVQAXYJQTLNZLV-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(Cl)c(Br)cc1Cl ZINC000758234606 929981784 /nfs/dbraw/zinc/98/17/84/929981784.db2.gz LSIQIWQRHFMNQF-UHFFFAOYSA-N -1 3 386.054 3.555 20 0 GHADHM Cc1nc(C)c(Cc2nc(CCCOc3cccc4ccccc43)no2)c(=O)[n-]1 ZINC000546397747 930124320 /nfs/dbraw/zinc/12/43/20/930124320.db2.gz KCUQYQWBTDWUCR-UHFFFAOYSA-N -1 3 390.443 3.938 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc([C@H]3C[C@@H]3C)no2)c1[O-] ZINC000546481185 930201359 /nfs/dbraw/zinc/20/13/59/930201359.db2.gz HCLDQONWKLFPAV-ZBEGNZNMSA-N -1 3 389.411 3.670 20 0 GHADHM CC1(Cn2cc(C(=O)[N-]c3cccc(Cl)c3SC(F)F)nn2)COC1 ZINC000759039935 930252764 /nfs/dbraw/zinc/25/27/64/930252764.db2.gz KIJTUYPZQNDETQ-UHFFFAOYSA-N -1 3 388.827 3.535 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H]2CCc3ccc(Cl)cc32)ccc1F ZINC000759308405 930338005 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CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782243511 931137130 /nfs/dbraw/zinc/13/71/30/931137130.db2.gz YCYBNOICWUGWSL-RKVPGOIHSA-N -1 3 388.464 3.963 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000782504854 931245816 /nfs/dbraw/zinc/24/58/16/931245816.db2.gz RMRBIFSLWSDBDG-WDEREUQCSA-N -1 3 394.946 3.516 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000782504852 931246064 /nfs/dbraw/zinc/24/60/64/931246064.db2.gz RMRBIFSLWSDBDG-QWRGUYRKSA-N -1 3 394.946 3.516 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc([O-])cc(F)c2)c2nccn2C)c1 ZINC000924622950 931451403 /nfs/dbraw/zinc/45/14/03/931451403.db2.gz LPSLNLKMZWOCBE-RNODOKPDSA-N -1 3 385.439 3.722 20 0 GHADHM O=C(CCCOc1ccc(F)cc1F)OCc1noc(-c2ccccc2[O-])n1 ZINC000783230247 931468306 /nfs/dbraw/zinc/46/83/06/931468306.db2.gz JNVZZKFHIZKUOZ-UHFFFAOYSA-N -1 3 390.342 3.623 20 0 GHADHM CCc1cccc2c(CC(=O)OCc3noc(-c4ccccc4[O-])n3)c[nH]c21 ZINC000783607390 931594101 /nfs/dbraw/zinc/59/41/01/931594101.db2.gz GTQBSOVQMJBVGY-UHFFFAOYSA-N -1 3 377.400 3.772 20 0 GHADHM COc1ccc([C@H](N/C=C2\C(=O)[N-]C(=O)c3ccccc32)c2ccccc2)cc1 ZINC000783679606 931616353 /nfs/dbraw/zinc/61/63/53/931616353.db2.gz RCZARHRFXFYJFY-PHCAOYFPSA-N -1 3 384.435 3.685 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CCC1(C)C ZINC000557979086 931784657 /nfs/dbraw/zinc/78/46/57/931784657.db2.gz HPSRMXYUYMLZBJ-GOSISDBHSA-N -1 3 390.480 3.853 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000796686867 932030129 /nfs/dbraw/zinc/03/01/29/932030129.db2.gz JYQBSDDXWOTYHC-LLVKDONJSA-N -1 3 377.384 3.590 20 0 GHADHM Cc1ccc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000558571957 932080161 /nfs/dbraw/zinc/08/01/61/932080161.db2.gz WPXYXSDLNJRXQG-VFNWGFHPSA-N -1 3 397.496 3.758 20 0 GHADHM Cn1cnc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)(F)F)n1 ZINC000558604922 932103374 /nfs/dbraw/zinc/10/33/74/932103374.db2.gz AAYGMSGVGXCONR-UHFFFAOYSA-N -1 3 384.305 3.741 20 0 GHADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000558731842 932198943 /nfs/dbraw/zinc/19/89/43/932198943.db2.gz BJLQVPUPFHDYLZ-UHFFFAOYSA-N -1 3 395.890 3.942 20 0 GHADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCCN(Cc2ccccc2)CC1 ZINC000558731842 932198947 /nfs/dbraw/zinc/19/89/47/932198947.db2.gz BJLQVPUPFHDYLZ-UHFFFAOYSA-N -1 3 395.890 3.942 20 0 GHADHM Cc1occc1[C@@H](Cc1ccccc1Cl)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000926813755 932316665 /nfs/dbraw/zinc/31/66/65/932316665.db2.gz QYQXBQFRDQFNRG-LJQANCHMSA-N -1 3 399.878 3.883 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(Cl)nc1Cl ZINC000797839549 932425874 /nfs/dbraw/zinc/42/58/74/932425874.db2.gz KVSOQVMMIVUJCG-MGCOHNPYSA-N -1 3 375.252 3.752 20 0 GHADHM CCOc1cccc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)n1 ZINC000797914351 932454143 /nfs/dbraw/zinc/45/41/43/932454143.db2.gz AUBZOOJHJIWUPL-LLVKDONJSA-N -1 3 387.461 3.654 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2c(c1)CCO2 ZINC000798166958 932550859 /nfs/dbraw/zinc/55/08/59/932550859.db2.gz GHNQSFDAVPUTEH-UHFFFAOYSA-N -1 3 387.457 3.854 20 0 GHADHM CC(C)c1cccc(NC(=S)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000798373950 932619018 /nfs/dbraw/zinc/61/90/18/932619018.db2.gz WVMDEJREARBZCW-UHFFFAOYSA-N -1 3 387.471 3.897 20 0 GHADHM C[C@H](CCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)CC(C)(C)C ZINC000798465396 932658150 /nfs/dbraw/zinc/65/81/50/932658150.db2.gz WUXZCTZCIBGFIO-CYBMUJFWSA-N -1 3 379.467 3.549 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)[n-]1 ZINC000559612107 932752683 /nfs/dbraw/zinc/75/26/83/932752683.db2.gz HOFMYZPRDFDFAE-UHFFFAOYSA-N -1 3 378.363 3.736 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799020064 932853585 /nfs/dbraw/zinc/85/35/85/932853585.db2.gz YDCQTFLMYDYNJE-INIZCTEOSA-N -1 3 376.463 3.900 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCC12CCC2 ZINC000559840985 932899157 /nfs/dbraw/zinc/89/91/57/932899157.db2.gz QLWQGZQGTOYMAA-UHFFFAOYSA-N -1 3 388.464 3.785 20 0 GHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560040721 933032215 /nfs/dbraw/zinc/03/22/15/933032215.db2.gz HFFTWNNSYFTMRA-SECBINFHSA-N -1 3 386.764 3.913 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(Br)c(C)c2)cc1OC ZINC000799961594 933190399 /nfs/dbraw/zinc/19/03/99/933190399.db2.gz SUCZXGKKMBMTFN-UHFFFAOYSA-N -1 3 394.265 3.565 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CNC(=O)c3ccc([O-])cc3)sc2C)s1 ZINC000560459715 933270518 /nfs/dbraw/zinc/27/05/18/933270518.db2.gz ZVLYRIILJFQOMB-UHFFFAOYSA-N -1 3 387.486 3.563 20 0 GHADHM CC(=O)c1cccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)c1[O-] ZINC000560550789 933334635 /nfs/dbraw/zinc/33/46/35/933334635.db2.gz OFLGNIMHQUKNKQ-UHFFFAOYSA-N -1 3 378.384 3.800 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001116239593 933428926 /nfs/dbraw/zinc/42/89/26/933428926.db2.gz QQAAERTVXBQOKZ-UHFFFAOYSA-N -1 3 391.874 3.895 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001116363029 933510131 /nfs/dbraw/zinc/51/01/31/933510131.db2.gz DENLGUDPPVATSD-IVZQSRNASA-N -1 3 375.428 3.503 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1Cl ZINC001116727639 933724984 /nfs/dbraw/zinc/72/49/84/933724984.db2.gz ABNBXIQLNVWBAJ-UHFFFAOYSA-N -1 3 398.887 3.904 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(OCC2CC2)nc1 ZINC001116754847 933739665 /nfs/dbraw/zinc/73/96/65/933739665.db2.gz KYEYZMJFJXAZCT-UHFFFAOYSA-N -1 3 375.388 3.654 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(OCC2CC2)nc1 ZINC001116754847 933739678 /nfs/dbraw/zinc/73/96/78/933739678.db2.gz KYEYZMJFJXAZCT-UHFFFAOYSA-N -1 3 375.388 3.654 20 0 GHADHM COc1ccc(OCc2nc(CNC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)cc1 ZINC001116778990 933750459 /nfs/dbraw/zinc/75/04/59/933750459.db2.gz BYAYISMLIUXUAP-SHTZXODSSA-N -1 3 390.505 3.711 20 0 GHADHM Cn1nccc1[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000560976052 933751635 /nfs/dbraw/zinc/75/16/35/933751635.db2.gz HMEMZRHRVWIOFA-IBGZPJMESA-N -1 3 375.472 3.736 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC/C=C\C1CC1 ZINC001117772186 934015987 /nfs/dbraw/zinc/01/59/87/934015987.db2.gz ZALBPDQIDBOFGX-PLNGDYQASA-N -1 3 388.464 3.631 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000561373774 934089948 /nfs/dbraw/zinc/08/99/48/934089948.db2.gz NBINKVOPWVNOJI-UHFFFAOYSA-N -1 3 384.382 3.913 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCC(=O)c3ccccc3)[n-]c(=O)c12 ZINC000561442355 934163355 /nfs/dbraw/zinc/16/33/55/934163355.db2.gz QDQBFXQYTSVJQU-UHFFFAOYSA-N -1 3 397.456 3.581 20 0 GHADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000561560601 934274086 /nfs/dbraw/zinc/27/40/86/934274086.db2.gz APMACPMVHABHGC-SNVBAGLBSA-N -1 3 394.707 3.701 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Cl)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001119066643 934307120 /nfs/dbraw/zinc/30/71/20/934307120.db2.gz OQIWOEBPMBASHW-MRXNPFEDSA-N -1 3 375.856 3.996 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ncc(OC)cc2Br)cc1 ZINC000561769305 934435439 /nfs/dbraw/zinc/43/54/39/934435439.db2.gz OVFGSPMPGKCMTK-UHFFFAOYSA-N -1 3 385.283 3.606 20 0 GHADHM CC(C)(C)c1ccc(Cl)cc1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931300795 934491522 /nfs/dbraw/zinc/49/15/22/934491522.db2.gz IQRPBCWLVGRBCQ-CYBMUJFWSA-N -1 3 389.887 3.534 20 0 GHADHM Cn1ccnc1[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC001120926278 934536957 /nfs/dbraw/zinc/53/69/57/934536957.db2.gz CDJMYHJNIAAFOA-QGZVFWFLSA-N -1 3 396.516 3.605 20 0 GHADHM C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000778048374 934789997 /nfs/dbraw/zinc/78/99/97/934789997.db2.gz KDCMYDUZORQCCZ-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(Cl)cc1C(F)(F)F ZINC001123893766 935317451 /nfs/dbraw/zinc/31/74/51/935317451.db2.gz RWZDNACFYYQKBU-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM COc1nnc(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc32)[n-]1 ZINC001137567846 935590446 /nfs/dbraw/zinc/59/04/46/935590446.db2.gz PFQLMZAQARBKQF-UHFFFAOYSA-N -1 3 383.452 3.843 20 0 GHADHM COc1nc(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc32)n[n-]1 ZINC001137567846 935590449 /nfs/dbraw/zinc/59/04/49/935590449.db2.gz PFQLMZAQARBKQF-UHFFFAOYSA-N -1 3 383.452 3.843 20 0 GHADHM COc1n[n-]c(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc32)n1 ZINC001137567846 935590452 /nfs/dbraw/zinc/59/04/52/935590452.db2.gz PFQLMZAQARBKQF-UHFFFAOYSA-N -1 3 383.452 3.843 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nc2)n1 ZINC000828590175 935670479 /nfs/dbraw/zinc/67/04/79/935670479.db2.gz NIBRDZBGJDSXBV-QWHCGFSZSA-N -1 3 387.484 3.520 20 0 GHADHM COCC[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccco1 ZINC001137792358 935791943 /nfs/dbraw/zinc/79/19/43/935791943.db2.gz OSPNNZIEKVCEJG-LLVKDONJSA-N -1 3 381.454 3.591 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(CC)c2)c([O-])c1 ZINC001137937599 935880441 /nfs/dbraw/zinc/88/04/41/935880441.db2.gz ARQYDKNLONTFFS-UHFFFAOYSA-N -1 3 377.824 3.802 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2cccc([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001137945343 935885065 /nfs/dbraw/zinc/88/50/65/935885065.db2.gz PJXLLINSADUNND-SGTLLEGYSA-N -1 3 380.822 3.747 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCc2cccc(OCc3ccccc3)c2)[n-]n1 ZINC001137978404 935903410 /nfs/dbraw/zinc/90/34/10/935903410.db2.gz HCAONXGWKHEPGF-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCc2cccc(OCc3ccccc3)c2)n[n-]1 ZINC001137978404 935903414 /nfs/dbraw/zinc/90/34/14/935903414.db2.gz HCAONXGWKHEPGF-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM COc1ccccc1[C@@H]1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000830134751 935904541 /nfs/dbraw/zinc/90/45/41/935904541.db2.gz WGNYGPYWKVYXGQ-OAHLLOKOSA-N -1 3 385.460 3.828 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(OC2CC2)cc1)c1ccco1 ZINC000830330904 935931567 /nfs/dbraw/zinc/93/15/67/935931567.db2.gz HZPAFXMIBXJZRJ-GOSISDBHSA-N -1 3 379.478 3.513 20 0 GHADHM CC[C@](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908885529 939345992 /nfs/dbraw/zinc/34/59/92/939345992.db2.gz ZYBKXGXOJYNORV-DHJUGAMNSA-N -1 3 395.503 3.511 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1NCCc1c[nH]c2ccccc12 ZINC001573280163 946657341 /nfs/dbraw/zinc/65/73/41/946657341.db2.gz RLWULKBPWDCSSC-UHFFFAOYSA-N -1 3 383.253 3.765 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1NCCc1c[nH]c2ccccc12 ZINC001573280163 946657346 /nfs/dbraw/zinc/65/73/46/946657346.db2.gz RLWULKBPWDCSSC-UHFFFAOYSA-N -1 3 383.253 3.765 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1coc2cc(Cl)ccc12 ZINC001573553496 946887059 /nfs/dbraw/zinc/88/70/59/946887059.db2.gz YMTHMUSFNWJFMI-UHFFFAOYSA-N -1 3 395.806 3.650 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1coc2cc(Cl)ccc12 ZINC001573553496 946887073 /nfs/dbraw/zinc/88/70/73/946887073.db2.gz YMTHMUSFNWJFMI-UHFFFAOYSA-N -1 3 395.806 3.650 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1csc2cc(C)ccc12 ZINC001573553774 946893465 /nfs/dbraw/zinc/89/34/65/946893465.db2.gz LDURKXGDALDRSS-UHFFFAOYSA-N -1 3 377.429 3.845 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1csc2cc(C)ccc12 ZINC001573553774 946893482 /nfs/dbraw/zinc/89/34/82/946893482.db2.gz LDURKXGDALDRSS-UHFFFAOYSA-N -1 3 377.429 3.845 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC001573602949 947477615 /nfs/dbraw/zinc/47/76/15/947477615.db2.gz CGKGNIIGZQMNAV-VIFPVBQESA-N -1 3 377.782 3.565 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC001573602949 947477624 /nfs/dbraw/zinc/47/76/24/947477624.db2.gz CGKGNIIGZQMNAV-VIFPVBQESA-N -1 3 377.782 3.565 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC001573357867 947652125 /nfs/dbraw/zinc/65/21/25/947652125.db2.gz ABFPAFDXUHIAJC-BENRWUELSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001573357867 947652140 /nfs/dbraw/zinc/65/21/40/947652140.db2.gz ABFPAFDXUHIAJC-BENRWUELSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)c1cccc(Cl)c1 ZINC001573361812 947697275 /nfs/dbraw/zinc/69/72/75/947697275.db2.gz FGTIZGFJDANFAJ-ACCUITESSA-N -1 3 379.851 3.903 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)c1cccc(Cl)c1 ZINC001573361812 947697283 /nfs/dbraw/zinc/69/72/83/947697283.db2.gz FGTIZGFJDANFAJ-ACCUITESSA-N -1 3 379.851 3.903 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001573367103 947753209 /nfs/dbraw/zinc/75/32/09/947753209.db2.gz XDYFVAHPGRAJQW-FLIBITNWSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001573367103 947753218 /nfs/dbraw/zinc/75/32/18/947753218.db2.gz XDYFVAHPGRAJQW-FLIBITNWSA-N -1 3 388.258 3.893 20 0 GHADHM FC(F)Oc1ccccc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826370468 948154131 /nfs/dbraw/zinc/15/41/31/948154131.db2.gz URIGAHJTTCOPSC-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826370468 948154136 /nfs/dbraw/zinc/15/41/36/948154136.db2.gz URIGAHJTTCOPSC-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC001574078703 948759784 /nfs/dbraw/zinc/75/97/84/948759784.db2.gz GQWUNIQBHKDRFG-OAHLLOKOSA-N -1 3 390.900 3.778 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CCC1 ZINC001573755777 948783132 /nfs/dbraw/zinc/78/31/32/948783132.db2.gz HZKRJPVIYFJYSG-AWEZNQCLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CCC1 ZINC001573755777 948783142 /nfs/dbraw/zinc/78/31/42/948783142.db2.gz HZKRJPVIYFJYSG-AWEZNQCLSA-N -1 3 377.448 3.820 20 0 GHADHM CC(F)(F)CCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575241786 948977893 /nfs/dbraw/zinc/97/78/93/948977893.db2.gz FMIRQWCUVJBZPA-UHFFFAOYSA-N -1 3 388.378 3.826 20 0 GHADHM CC(F)(F)CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575241786 948977907 /nfs/dbraw/zinc/97/79/07/948977907.db2.gz FMIRQWCUVJBZPA-UHFFFAOYSA-N -1 3 388.378 3.826 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001574092057 949038349 /nfs/dbraw/zinc/03/83/49/949038349.db2.gz RBPYQEYWTWKACV-DENIHFKCSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001574092057 949038371 /nfs/dbraw/zinc/03/83/71/949038371.db2.gz RBPYQEYWTWKACV-DENIHFKCSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574093808 949117676 /nfs/dbraw/zinc/11/76/76/949117676.db2.gz ZDOHKHGFLWILNO-JXFKEZNVSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574093808 949117683 /nfs/dbraw/zinc/11/76/83/949117683.db2.gz ZDOHKHGFLWILNO-JXFKEZNVSA-N -1 3 378.436 3.675 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001575512544 949143935 /nfs/dbraw/zinc/14/39/35/949143935.db2.gz OEYZBQRJEFFLFA-ZDUSSCGKSA-N -1 3 395.417 3.524 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)C1 ZINC001576152279 949249156 /nfs/dbraw/zinc/24/91/56/949249156.db2.gz IGRPKTCDAFWOGN-NEPJUHHUSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)C1 ZINC001576152279 949249178 /nfs/dbraw/zinc/24/91/78/949249178.db2.gz IGRPKTCDAFWOGN-NEPJUHHUSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC001576153081 949275967 /nfs/dbraw/zinc/27/59/67/949275967.db2.gz LQKYFMPYPNCSFQ-UONOGXRCSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC001576153081 949275990 /nfs/dbraw/zinc/27/59/90/949275990.db2.gz LQKYFMPYPNCSFQ-UONOGXRCSA-N -1 3 378.436 3.819 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001574145575 949929409 /nfs/dbraw/zinc/92/94/09/949929409.db2.gz UPSAESIBECMOAR-AWEZNQCLSA-N -1 3 389.500 3.824 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001574145575 949929423 /nfs/dbraw/zinc/92/94/23/949929423.db2.gz UPSAESIBECMOAR-AWEZNQCLSA-N -1 3 389.500 3.824 20 0 GHADHM CC(C)(C)Cc1ncc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)s1 ZINC001573855235 950360527 /nfs/dbraw/zinc/36/05/27/950360527.db2.gz MLXJZVANLYAQMR-UHFFFAOYSA-N -1 3 396.520 3.721 20 0 GHADHM CC(C)(C)Cc1ncc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)s1 ZINC001573855235 950360544 /nfs/dbraw/zinc/36/05/44/950360544.db2.gz MLXJZVANLYAQMR-UHFFFAOYSA-N -1 3 396.520 3.721 20 0 GHADHM CC(C)CC1(C(=O)OCc2cc(Br)cc(-c3nnn[n-]3)c2)CCC1 ZINC001574167568 950486734 /nfs/dbraw/zinc/48/67/34/950486734.db2.gz FEIWTERMEPHQFH-UHFFFAOYSA-N -1 3 393.285 3.889 20 0 GHADHM CC(C)CC1(C(=O)OCc2cc(Br)cc(-c3nn[n-]n3)c2)CCC1 ZINC001574167568 950486746 /nfs/dbraw/zinc/48/67/46/950486746.db2.gz FEIWTERMEPHQFH-UHFFFAOYSA-N -1 3 393.285 3.889 20 0 GHADHM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001575622308 950640664 /nfs/dbraw/zinc/64/06/64/950640664.db2.gz CBEGGVBBVBSMHU-GOSISDBHSA-N -1 3 395.894 3.857 20 0 GHADHM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001575622308 950640676 /nfs/dbraw/zinc/64/06/76/950640676.db2.gz CBEGGVBBVBSMHU-GOSISDBHSA-N -1 3 395.894 3.857 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1(C)C ZINC001573873330 950641167 /nfs/dbraw/zinc/64/11/67/950641167.db2.gz JJWBGTVLXKFXHU-DLBZAZTESA-N -1 3 398.511 3.848 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1(C)C ZINC001573873330 950641180 /nfs/dbraw/zinc/64/11/80/950641180.db2.gz JJWBGTVLXKFXHU-DLBZAZTESA-N -1 3 398.511 3.848 20 0 GHADHM C[C@@H]1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2(C)CCCC2)C1 ZINC001576215502 950704636 /nfs/dbraw/zinc/70/46/36/950704636.db2.gz WACCAKOQLNAAFH-OAHLLOKOSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@@H]1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2(C)CCCC2)C1 ZINC001576215502 950704658 /nfs/dbraw/zinc/70/46/58/950704658.db2.gz WACCAKOQLNAAFH-OAHLLOKOSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc4ccn(C)c4c3)c2-c2nnn[n-]2)C1 ZINC001576216407 950734281 /nfs/dbraw/zinc/73/42/81/950734281.db2.gz JAIPRWYFCXCRMP-NSHDSACASA-N -1 3 392.488 3.797 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc4ccn(C)c4c3)c2-c2nn[n-]n2)C1 ZINC001576216407 950734298 /nfs/dbraw/zinc/73/42/98/950734298.db2.gz JAIPRWYFCXCRMP-NSHDSACASA-N -1 3 392.488 3.797 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573881401 950750290 /nfs/dbraw/zinc/75/02/90/950750290.db2.gz DSWHSDHLCJSARK-FRECNVADSA-N -1 3 387.487 3.981 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573881401 950750299 /nfs/dbraw/zinc/75/02/99/950750299.db2.gz DSWHSDHLCJSARK-FRECNVADSA-N -1 3 387.487 3.981 20 0 GHADHM CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001573881919 950759020 /nfs/dbraw/zinc/75/90/20/950759020.db2.gz JNXQYMAOSAGIPD-UHFFFAOYSA-N -1 3 399.882 3.626 20 0 GHADHM CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001573881919 950759035 /nfs/dbraw/zinc/75/90/35/950759035.db2.gz JNXQYMAOSAGIPD-UHFFFAOYSA-N -1 3 399.882 3.626 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1cc(F)cc(-c3nnn[n-]3)c1)C2 ZINC001573882147 950774330 /nfs/dbraw/zinc/77/43/30/950774330.db2.gz UUAAHCCCPUQKCB-UHFFFAOYSA-N -1 3 394.454 3.894 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1cc(F)cc(-c3nn[n-]n3)c1)C2 ZINC001573882147 950774345 /nfs/dbraw/zinc/77/43/45/950774345.db2.gz UUAAHCCCPUQKCB-UHFFFAOYSA-N -1 3 394.454 3.894 20 0 GHADHM CC(C)CCCCNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574194804 950958689 /nfs/dbraw/zinc/95/86/89/950958689.db2.gz AVMKGPWKAFTWME-AWEZNQCLSA-N -1 3 384.406 3.596 20 0 GHADHM CC(C)CCCCNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574194804 950958709 /nfs/dbraw/zinc/95/87/09/950958709.db2.gz AVMKGPWKAFTWME-AWEZNQCLSA-N -1 3 384.406 3.596 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001575184733 952423031 /nfs/dbraw/zinc/42/30/31/952423031.db2.gz BIMSRWSXFDQVLF-IRXDYDNUSA-N -1 3 381.524 3.864 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001575184733 952423033 /nfs/dbraw/zinc/42/30/33/952423033.db2.gz BIMSRWSXFDQVLF-IRXDYDNUSA-N -1 3 381.524 3.864 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001575188110 952445844 /nfs/dbraw/zinc/44/58/44/952445844.db2.gz HOLANKYSUSHKFF-CQSZACIVSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001575188110 952445848 /nfs/dbraw/zinc/44/58/48/952445848.db2.gz HOLANKYSUSHKFF-CQSZACIVSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@@H](Cc1cccs1)N(C)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001575200992 952499058 /nfs/dbraw/zinc/49/90/58/952499058.db2.gz FSHZICRMOLOPSR-JTQLQIEISA-N -1 3 378.299 3.758 20 0 GHADHM C[C@@H](Cc1cccs1)N(C)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001575200992 952499061 /nfs/dbraw/zinc/49/90/61/952499061.db2.gz FSHZICRMOLOPSR-JTQLQIEISA-N -1 3 378.299 3.758 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC4(CCSCC4)CC3)o2)C1 ZINC001594914499 954730295 /nfs/dbraw/zinc/73/02/95/954730295.db2.gz GZUDYOCITRPJPL-INIZCTEOSA-N -1 3 378.538 3.690 20 0 GHADHM O=C([O-])/C=C/c1cc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)co1 ZINC000902269351 956691605 /nfs/dbraw/zinc/69/16/05/956691605.db2.gz JHWGHKJFFHZADS-VYENPZKTSA-N -1 3 382.460 3.552 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001340485848 957924430 /nfs/dbraw/zinc/92/44/30/957924430.db2.gz OKUFMXHNLNSZOT-PMACEKPBSA-N -1 3 389.540 3.572 20 0 GHADHM O=C([O-])[C@H](CC(F)(F)F)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC001334776970 961821144 /nfs/dbraw/zinc/82/11/44/961821144.db2.gz MURXFWFLHVMBMV-VIFPVBQESA-N -1 3 394.109 3.963 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCN(Cc2ccccc2)C1 ZINC001347510879 962390670 /nfs/dbraw/zinc/39/06/70/962390670.db2.gz UEVZTYGONAVBEA-GECPAALWSA-N -1 3 398.547 3.829 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549036379 962931047 /nfs/dbraw/zinc/93/10/47/962931047.db2.gz KQKVYENDUIHMSH-PWIZWCRZSA-N -1 3 380.488 3.937 20 0 GHADHM CCC[C@](C)(NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405194510 973778483 /nfs/dbraw/zinc/77/84/83/973778483.db2.gz ZZCPSDOSUZJDLF-ZDUSSCGKSA-N -1 3 381.641 3.678 20 0 GHADHM COC(=O)c1c(C)c(NC(=O)c2cc([O-])cc(Br)c2)ccc1F ZINC001625809963 1014194486 /nfs/dbraw/zinc/19/44/86/1014194486.db2.gz UDQSZAOUYASUFZ-UHFFFAOYSA-N -1 3 382.185 3.641 20 0 GHADHM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3cc(OC)cc(OC)c3)ccc2c1 ZINC000832057350 979039720 /nfs/dbraw/zinc/03/97/20/979039720.db2.gz ONRFWWWQRKYSGO-OAQYLSRUSA-N -1 3 381.428 3.781 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)(NCc1ncc(Br)s1)C(=O)[O-] ZINC001592838948 979593238 /nfs/dbraw/zinc/59/32/38/979593238.db2.gz JAGFNBMJUSQZJX-CQSZACIVSA-N -1 3 389.702 3.735 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592868189 979718663 /nfs/dbraw/zinc/71/86/63/979718663.db2.gz VZUPZGIIFCOYFE-WWMYMODYSA-N -1 3 395.503 3.734 20 0 GHADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001595368349 980825980 /nfs/dbraw/zinc/82/59/80/980825980.db2.gz HATWKQLATDERPK-OAQYLSRUSA-N -1 3 376.497 3.924 20 0 GHADHM CCCCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1(C)C ZINC001595770439 982508169 /nfs/dbraw/zinc/50/81/69/982508169.db2.gz IFBXCGJBQQOODJ-HZSPNIEDSA-N -1 3 382.526 3.655 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001595878632 982871905 /nfs/dbraw/zinc/87/19/05/982871905.db2.gz FIAIASPFOMEPEF-QGZVFWFLSA-N -1 3 375.513 3.680 20 0 GHADHM CCN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596151357 983512160 /nfs/dbraw/zinc/51/21/60/983512160.db2.gz VNAUGCUXMJSBND-IBGZPJMESA-N -1 3 381.476 3.822 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccsc1 ZINC001596254431 983663269 /nfs/dbraw/zinc/66/32/69/983663269.db2.gz NLHGQSJROJOKJR-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM CCN1CC[C@H](NCc2cc(C(=O)[O-])ccc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596410306 984000226 /nfs/dbraw/zinc/00/02/26/984000226.db2.gz JYHGNXQNEZHELA-HKUYNNGSSA-N -1 3 396.384 3.866 20 0 GHADHM O=S(=O)([N-][C@]1(C(F)(F)F)CCc2ccccc21)c1cccc2cnccc21 ZINC000544838101 1015085135 /nfs/dbraw/zinc/08/51/35/1015085135.db2.gz ODFHURNIEULXEJ-GOSISDBHSA-N -1 3 392.402 3.917 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)c(C)c1 ZINC000544846471 1015093278 /nfs/dbraw/zinc/09/32/78/1015093278.db2.gz ROCJVFBXIYLKSZ-UHFFFAOYSA-N -1 3 379.478 3.990 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC001597021275 986410118 /nfs/dbraw/zinc/41/01/18/986410118.db2.gz JKKAUBVJCBERAD-XJKSGUPXSA-N -1 3 389.452 3.627 20 0 GHADHM CSc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599821574 988523305 /nfs/dbraw/zinc/52/33/05/988523305.db2.gz DHNLVCXGBXVGGP-KGLIPLIRSA-N -1 3 388.489 3.550 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001590003764 988934645 /nfs/dbraw/zinc/93/46/45/988934645.db2.gz GLMSDDJVODNDFX-JKIFEVAISA-N -1 3 394.899 3.940 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CNC(C)(C)COc1ncccc1C(F)(F)F ZINC001597767669 989223627 /nfs/dbraw/zinc/22/36/27/989223627.db2.gz RITZXQQPTXDOAY-UHFFFAOYSA-N -1 3 386.370 3.901 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001590176415 989505994 /nfs/dbraw/zinc/50/59/94/989505994.db2.gz HZPCNKIKWSRNNL-ZDUSSCGKSA-N -1 3 382.888 3.775 20 0 GHADHM CC(C)(C)OC(=O)NC/C=C/CNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001590178401 989522831 /nfs/dbraw/zinc/52/28/31/989522831.db2.gz RWAVVEPKLIPHHU-SNAWJCMRSA-N -1 3 388.386 3.574 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001590304050 989733164 /nfs/dbraw/zinc/73/31/64/989733164.db2.gz UKDROFCLLRXNLD-UHFFFAOYSA-N -1 3 386.448 3.787 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1nc(CC)cc(=O)[n-]1 ZINC000468267394 1015528154 /nfs/dbraw/zinc/52/81/54/1015528154.db2.gz BXHUSYDRUBRUBK-UHFFFAOYSA-N -1 3 397.306 3.902 20 0 GHADHM CCc1cc(=O)[n-]c(CN(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000468271550 1015531935 /nfs/dbraw/zinc/53/19/35/1015531935.db2.gz DVJYZBLGDFUJQE-ZDUSSCGKSA-N -1 3 383.414 3.973 20 0 GHADHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC000468275788 1015537413 /nfs/dbraw/zinc/53/74/13/1015537413.db2.gz DEKQSCGYLILAIH-UHFFFAOYSA-N -1 3 393.487 3.964 20 0 GHADHM CC(C)(CC(=O)[O-])NCc1cccc(OCC(F)(F)F)c1Br ZINC001590649524 990339781 /nfs/dbraw/zinc/33/97/81/990339781.db2.gz LAPGZNCZDSUPLR-UHFFFAOYSA-N -1 3 384.192 3.733 20 0 GHADHM COc1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc(OC)c1[O-] ZINC000545169847 1015609054 /nfs/dbraw/zinc/60/90/54/1015609054.db2.gz GICLVHCFSRRWDF-UHFFFAOYSA-N -1 3 397.471 3.929 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c(Br)c1 ZINC000316041916 1032121157 /nfs/dbraw/zinc/12/11/57/1032121157.db2.gz GYBZYBOISBTYLY-UHFFFAOYSA-N -1 3 383.311 3.620 20 0 GHADHM COc1nsc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1C(=O)[O-] ZINC001599740412 991842802 /nfs/dbraw/zinc/84/28/02/991842802.db2.gz RRQHTEQPFRRHTP-NSHDSACASA-N -1 3 386.395 3.858 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000468529272 1015779276 /nfs/dbraw/zinc/77/92/76/1015779276.db2.gz PFORZBYYSGGDEE-UHFFFAOYSA-N -1 3 393.842 3.638 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC001593111282 993783827 /nfs/dbraw/zinc/78/38/27/993783827.db2.gz FAMKFPMCKHOBQJ-SJCJKPOMSA-N -1 3 375.856 3.851 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC001593118071 993823229 /nfs/dbraw/zinc/82/32/29/993823229.db2.gz ZXCIBCYAONJQEZ-BEFAXECRSA-N -1 3 383.492 3.862 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC001593199385 994178639 /nfs/dbraw/zinc/17/86/39/994178639.db2.gz WTHWQMSEKWIRAK-AVCJSFLBSA-N -1 3 381.831 3.715 20 0 GHADHM C[C@H](NCCOc1ccc(Br)cc1)c1ccccc1OCC(=O)[O-] ZINC001593272243 994610917 /nfs/dbraw/zinc/61/09/17/994610917.db2.gz QXLJAPYEMOUNPR-ZDUSSCGKSA-N -1 3 394.265 3.642 20 0 GHADHM C[C@H](NCc1ccc(OCc2ccccc2)nc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593297910 994708339 /nfs/dbraw/zinc/70/83/39/994708339.db2.gz CAAHSHCCZVJCIF-KRWDZBQOSA-N -1 3 392.455 3.975 20 0 GHADHM C[C@](NCc1ccc2c(c1)OCCO2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593304237 994743974 /nfs/dbraw/zinc/74/39/74/994743974.db2.gz IVRXXLJHMVUXDK-GOSISDBHSA-N -1 3 382.243 3.854 20 0 GHADHM Cc1ccccc1[C@H](CO)N(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000923710853 1016013241 /nfs/dbraw/zinc/01/32/41/1016013241.db2.gz HQUAVSDPUKJPLD-AWEZNQCLSA-N -1 3 391.493 3.604 20 0 GHADHM COC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001598888447 996944933 /nfs/dbraw/zinc/94/49/33/996944933.db2.gz RSHLCEHNCPBRGJ-OAHLLOKOSA-N -1 3 382.338 3.799 20 0 GHADHM O=C(/C=C\COc1ccccc1)Nc1ccc(I)cc1[O-] ZINC001138176876 1016089921 /nfs/dbraw/zinc/08/99/21/1016089921.db2.gz XFCZDNVYQWJHGM-DAXSKMNVSA-N -1 3 395.196 3.571 20 0 GHADHM COc1ccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1Br ZINC001599508869 997261577 /nfs/dbraw/zinc/26/15/77/997261577.db2.gz XSFYGNJUHQMKGN-GFCCVEGCSA-N -1 3 394.265 3.772 20 0 GHADHM CO[C@@H]1CCC[C@H]([C@@H](NCc2csc(CCc3ccccc3)n2)C(=O)[O-])C1 ZINC001599113312 997608908 /nfs/dbraw/zinc/60/89/08/997608908.db2.gz PRVAKWFEHPLRDJ-ILZDJORESA-N -1 3 388.533 3.676 20 0 GHADHM CO[C@@H]1CCC[C@@H]([C@H](NCc2csc(Nc3ccccc3)n2)C(=O)[O-])C1 ZINC001599114386 997626364 /nfs/dbraw/zinc/62/63/64/997626364.db2.gz UDSVKRSLGABKMI-XYPHTWIQSA-N -1 3 375.494 3.635 20 0 GHADHM O=C(CC1CCCC1)NC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468879437 1016156444 /nfs/dbraw/zinc/15/64/44/1016156444.db2.gz HFRNIXNSFKNDKV-UHFFFAOYSA-N -1 3 390.499 3.542 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2ccccc2CC(F)(F)F)C(=O)[O-])c1 ZINC001599455053 998173202 /nfs/dbraw/zinc/17/32/02/998173202.db2.gz XYVAELHREAMNEU-KRWDZBQOSA-N -1 3 383.366 3.724 20 0 GHADHM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C ZINC001598972759 998548665 /nfs/dbraw/zinc/54/86/65/998548665.db2.gz NGUXZUZHBFTDOM-INIZCTEOSA-N -1 3 381.350 3.716 20 0 GHADHM C[C@@H]1[C@H](NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCN1Cc1ccccc1 ZINC001594191577 998749618 /nfs/dbraw/zinc/74/96/18/998749618.db2.gz ASSJHIKWWJOWEW-AUUYWEPGSA-N -1 3 392.459 3.651 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)ccc1F ZINC000469003320 1016326168 /nfs/dbraw/zinc/32/61/68/1016326168.db2.gz PGOOREQQHQEDDG-AWEZNQCLSA-N -1 3 399.312 3.694 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(c2ccc(F)cc2)CCOCC1 ZINC000469096169 1016467805 /nfs/dbraw/zinc/46/78/05/1016467805.db2.gz YOBXWZYALUSPGG-UHFFFAOYSA-N -1 3 375.415 3.815 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000469111843 1016501243 /nfs/dbraw/zinc/50/12/43/1016501243.db2.gz WWJBUONUCPCWFZ-QGZVFWFLSA-N -1 3 381.451 3.895 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CC[C@H](c4ccccc4OC)C3)c2c1 ZINC001154507319 1032150908 /nfs/dbraw/zinc/15/09/08/1032150908.db2.gz QKMMCPSBBHBCPN-AWEZNQCLSA-N -1 3 378.428 3.587 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC001154528405 1032165499 /nfs/dbraw/zinc/16/54/99/1032165499.db2.gz WBEQFDSMAXNXRH-VMPITWQZSA-N -1 3 387.483 3.720 20 0 GHADHM CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1C ZINC001154794867 1032286679 /nfs/dbraw/zinc/28/66/79/1032286679.db2.gz YHHQJGZZHUGIBU-GJZGRUSLSA-N -1 3 390.480 3.887 20 0 GHADHM CCOc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Br ZINC001154941644 1032350398 /nfs/dbraw/zinc/35/03/98/1032350398.db2.gz DHFYYQAGKJCTTF-UHFFFAOYSA-N -1 3 380.194 3.534 20 0 GHADHM COc1ccc2c(c1)CC[C@H](Oc1cccc([O-])c1I)C2 ZINC001227377333 1032394977 /nfs/dbraw/zinc/39/49/77/1032394977.db2.gz DEXAXQRPIXMSNV-AWEZNQCLSA-N -1 3 396.224 3.942 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc2cc(Br)cnc2s1 ZINC001155874775 1032756212 /nfs/dbraw/zinc/75/62/12/1032756212.db2.gz WMTQWLSAMDHSKV-UHFFFAOYSA-N -1 3 389.234 3.893 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCCC[C@H]1C1CC1 ZINC000566259902 1019221455 /nfs/dbraw/zinc/22/14/55/1019221455.db2.gz GFELOQNMQUDIEX-WDEREUQCSA-N -1 3 394.235 3.785 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cncc(Br)c2)no1 ZINC000566591323 1019240359 /nfs/dbraw/zinc/24/03/59/1019240359.db2.gz UDDQQEAQFUFVML-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000567764014 1019339671 /nfs/dbraw/zinc/33/96/71/1019339671.db2.gz YXNGPCQTBWCARR-NRFANRHFSA-N -1 3 378.302 3.673 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000155577787 1019505196 /nfs/dbraw/zinc/50/51/96/1019505196.db2.gz OWFABSPKGFPHMK-UHFFFAOYSA-N -1 3 383.379 3.796 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000571051745 1019664883 /nfs/dbraw/zinc/66/48/83/1019664883.db2.gz KEJSKVGQAZHBQZ-AEFFLSMTSA-N -1 3 386.879 3.618 20 0 GHADHM CCCOc1ccc(CN(CCC)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000571775448 1019708602 /nfs/dbraw/zinc/70/86/02/1019708602.db2.gz WHEPXFZNKOQFHW-UHFFFAOYSA-N -1 3 399.491 3.909 20 0 GHADHM COC(=O)c1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1N ZINC001156055164 1032857308 /nfs/dbraw/zinc/85/73/08/1032857308.db2.gz WEBCKMYZUYXTLJ-UHFFFAOYSA-N -1 3 378.384 3.806 20 0 GHADHM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]3CCc4[nH]c(C(C)C)nc4C3)[nH][n-]2)c1 ZINC000575789680 1019946914 /nfs/dbraw/zinc/94/69/14/1019946914.db2.gz BNXBFSBOCDOUEN-ZDUSSCGKSA-N -1 3 381.455 3.536 20 0 GHADHM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]3CCc4nc(C(C)C)[nH]c4C3)[nH][n-]2)c1 ZINC000575789680 1019946917 /nfs/dbraw/zinc/94/69/17/1019946917.db2.gz BNXBFSBOCDOUEN-ZDUSSCGKSA-N -1 3 381.455 3.536 20 0 GHADHM O=c1[n-]nc(S[C@H]2CCO[C@@H](c3cccnc3)C2)n1CCc1ccccc1 ZINC000629099727 1020749858 /nfs/dbraw/zinc/74/98/58/1020749858.db2.gz GXRHIRHNJQAQFV-ZWKOTPCHSA-N -1 3 382.489 3.634 20 0 GHADHM C[C@@](CC(=O)[O-])(C(=O)NCCCN1CCc2ccccc2C1)C1CCCCC1 ZINC000634860520 1020960075 /nfs/dbraw/zinc/96/00/75/1020960075.db2.gz WEVLEUDRTIIGFD-QHCPKHFHSA-N -1 3 386.536 3.612 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C)c1ccc(Br)cn1 ZINC000834822149 1021515909 /nfs/dbraw/zinc/51/59/09/1021515909.db2.gz BKQMYONLVWUQBY-SNVBAGLBSA-N -1 3 385.208 3.822 20 0 GHADHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc([O-])cc(Br)c1 ZINC001156367637 1033004577 /nfs/dbraw/zinc/00/45/77/1033004577.db2.gz KYNAGWLZSUMMJT-UHFFFAOYSA-N -1 3 385.221 3.941 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001228626627 1033016292 /nfs/dbraw/zinc/01/62/92/1033016292.db2.gz AZHZDQHOPDMHEA-AWEZNQCLSA-N -1 3 389.448 3.975 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1Br ZINC001140548020 1021949384 /nfs/dbraw/zinc/94/93/84/1021949384.db2.gz AJMGBWYIEVQULH-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM [O-]c1cccc(CN(Cc2cccnc2)C2CCOCC2)c1Br ZINC001140548505 1021949690 /nfs/dbraw/zinc/94/96/90/1021949690.db2.gz OFDXTONZIDCJMM-UHFFFAOYSA-N -1 3 377.282 3.731 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680107234 1022094541 /nfs/dbraw/zinc/09/45/41/1022094541.db2.gz POYDGZINGXHZEK-ZDUSSCGKSA-N -1 3 393.333 3.537 20 0 GHADHM COc1cccc([O-])c1C(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 ZINC001140647563 1022149336 /nfs/dbraw/zinc/14/93/36/1022149336.db2.gz YJBLHVNAARZOBL-UHFFFAOYSA-N -1 3 386.448 3.986 20 0 GHADHM COc1cc(C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc(OC)c1[O-] ZINC000754272110 1022575622 /nfs/dbraw/zinc/57/56/22/1022575622.db2.gz PQGJQLIJWAVXFP-UHFFFAOYSA-N -1 3 397.214 3.721 20 0 GHADHM Cc1ncc(CO)c(CN2CCC[C@H]2c2ccc(Br)cc2)c1[O-] ZINC001140867119 1022740484 /nfs/dbraw/zinc/74/04/84/1022740484.db2.gz RDUVQOTWWCKKQL-KRWDZBQOSA-N -1 3 377.282 3.688 20 0 GHADHM CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140891022 1022810962 /nfs/dbraw/zinc/81/09/62/1022810962.db2.gz RGZYNUPJPINJQR-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM CC(C)(C)SCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000755081902 1023065186 /nfs/dbraw/zinc/06/51/86/1023065186.db2.gz LFFGYHARLMBVFS-UHFFFAOYSA-N -1 3 386.764 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000836626135 1023185728 /nfs/dbraw/zinc/18/57/28/1023185728.db2.gz OAPTYKSDWJBALY-OAHLLOKOSA-N -1 3 395.475 3.510 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000755409351 1023235596 /nfs/dbraw/zinc/23/55/96/1023235596.db2.gz GMIGOFRESRPYRK-UHFFFAOYSA-N -1 3 386.807 3.546 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000755474951 1023263854 /nfs/dbraw/zinc/26/38/54/1023263854.db2.gz DPHWIZQHBOJDIS-UHFFFAOYSA-N -1 3 376.388 3.660 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000755552062 1023292752 /nfs/dbraw/zinc/29/27/52/1023292752.db2.gz HZYJODFJXBEFHQ-UHFFFAOYSA-N -1 3 384.517 3.555 20 0 GHADHM CC(F)(F)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000836823227 1023391649 /nfs/dbraw/zinc/39/16/49/1023391649.db2.gz QPUXXNWXRYQTSK-UHFFFAOYSA-N -1 3 398.406 3.630 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2c(F)cccc2OC(F)F)cc1 ZINC000755948563 1023448293 /nfs/dbraw/zinc/44/82/93/1023448293.db2.gz WCWWRJKHBCWMQY-UHFFFAOYSA-N -1 3 375.293 3.844 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228855381 1033137816 /nfs/dbraw/zinc/13/78/16/1033137816.db2.gz GTWIJMBKEMZTTL-INIZCTEOSA-N -1 3 383.391 3.545 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1F ZINC000756950925 1023882628 /nfs/dbraw/zinc/88/26/28/1023882628.db2.gz ZGALRKFYARVHLD-UHFFFAOYSA-N -1 3 379.391 3.729 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000830598752 1024011047 /nfs/dbraw/zinc/01/10/47/1024011047.db2.gz NDEDQTKZWLJGBK-QFYYESIMSA-N -1 3 387.785 3.818 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001138094021 1024057762 /nfs/dbraw/zinc/05/77/62/1024057762.db2.gz QDRFSBHIGXYWHE-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM CCc1ccc(C(=O)N(C)C[C@H](O)c2ccccc2Br)c([O-])c1 ZINC000837156201 1024164144 /nfs/dbraw/zinc/16/41/44/1024164144.db2.gz QSIYWJBMYIKOAJ-KRWDZBQOSA-N -1 3 378.266 3.523 20 0 GHADHM [O-]c1cc(Br)cnc1O/C(=C\[C@@H](O)C(F)(F)F)c1cccs1 ZINC001228955605 1033197919 /nfs/dbraw/zinc/19/79/19/1033197919.db2.gz KEFUDRIYBFDURK-YOOZJCNJSA-N -1 3 396.184 3.954 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](CC(=O)OC(C)C)C(=O)OC(C)C ZINC001228959399 1033201161 /nfs/dbraw/zinc/20/11/61/1033201161.db2.gz YXMFCWUNSRMOSE-LJQANCHMSA-N -1 3 394.464 3.759 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(Br)cc2cccnc21 ZINC001141301808 1024463969 /nfs/dbraw/zinc/46/39/69/1024463969.db2.gz BQVDLWKYZIGQJE-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000837467827 1024481563 /nfs/dbraw/zinc/48/15/63/1024481563.db2.gz XVASPKYELCLUNY-UHFFFAOYSA-N -1 3 388.851 3.505 20 0 GHADHM C[C@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)s1 ZINC000837552121 1024546968 /nfs/dbraw/zinc/54/69/68/1024546968.db2.gz APJBUMUTJHCCQC-QMMMGPOBSA-N -1 3 383.267 3.731 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001138293573 1024569096 /nfs/dbraw/zinc/56/90/96/1024569096.db2.gz YMNHUCWJGJJVMU-GFCCVEGCSA-N -1 3 382.382 3.935 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(C)c2Br)c1 ZINC001138295064 1024571701 /nfs/dbraw/zinc/57/17/01/1024571701.db2.gz RIAVARNCVLURAI-UHFFFAOYSA-N -1 3 389.249 3.518 20 0 GHADHM COc1ccc(C2(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)CCCC2)cc1OC ZINC000837619841 1024591557 /nfs/dbraw/zinc/59/15/57/1024591557.db2.gz YNRWVATZGOQRBL-UHFFFAOYSA-N -1 3 398.459 3.632 20 0 GHADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H]1OCCc2sccc21 ZINC000837740749 1024674368 /nfs/dbraw/zinc/67/43/68/1024674368.db2.gz AZJXRHRXAKMZNZ-YJYMSZOUSA-N -1 3 396.468 3.904 20 0 GHADHM CCc1ccc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC000837789684 1024716641 /nfs/dbraw/zinc/71/66/41/1024716641.db2.gz HOVWPYUKZDWOMD-FQEVSTJZSA-N -1 3 375.415 3.819 20 0 GHADHM Cc1ccnc(O[C@H]2CCN(Cc3ccc(-c4cccc(C(=O)[O-])c4)cc3)C2)n1 ZINC001141364557 1024728444 /nfs/dbraw/zinc/72/84/44/1024728444.db2.gz ZLUBOPHDUNUSLZ-NRFANRHFSA-N -1 3 389.455 3.804 20 0 GHADHM C=CC(=O)Nc1cccc(C(=O)Nc2c(C)c(Br)ccc2[O-])c1 ZINC001141437965 1025055178 /nfs/dbraw/zinc/05/51/78/1025055178.db2.gz ZCCFRODGOUHKRC-UHFFFAOYSA-N -1 3 375.222 3.840 20 0 GHADHM CCOc1cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc(Cl)c1[O-] ZINC000838859848 1025401610 /nfs/dbraw/zinc/40/16/10/1025401610.db2.gz OEHIIKPVDLQJFQ-PKOBYXMFSA-N -1 3 391.895 3.769 20 0 GHADHM CCOc1cc(CNc2ccc(OCCC(=O)NC)cc2)cc(Cl)c1[O-] ZINC000838879553 1025413987 /nfs/dbraw/zinc/41/39/87/1025413987.db2.gz JAWPEFOJIGZMCY-UHFFFAOYSA-N -1 3 378.856 3.571 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1Br ZINC000839018608 1025521322 /nfs/dbraw/zinc/52/13/22/1025521322.db2.gz KRZMMRPRLOHOSQ-UHFFFAOYSA-N -1 3 398.688 3.642 20 0 GHADHM CC(C)Oc1ccccc1OC1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138926186 1025593837 /nfs/dbraw/zinc/59/38/37/1025593837.db2.gz CGPXXAOVGPVFDU-UHFFFAOYSA-N -1 3 399.487 3.981 20 0 GHADHM C[C@@H]1Cc2cc(Br)ccc2CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139096912 1025908804 /nfs/dbraw/zinc/90/88/04/1025908804.db2.gz QDFYKLJZRRLSTA-GFCCVEGCSA-N -1 3 384.281 3.576 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc2c(cc1[O-])OCO2 ZINC001139375507 1026246954 /nfs/dbraw/zinc/24/69/54/1026246954.db2.gz SOQYKYUAINERFO-AULYBMBSSA-N -1 3 379.334 3.816 20 0 GHADHM C[C@@H](Nc1cc(Cl)nc(C2CCC2)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001163604883 1026247918 /nfs/dbraw/zinc/24/79/18/1026247918.db2.gz HBLJNBDMVATHBU-GHMZBOCLSA-N -1 3 375.860 3.573 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc12 ZINC000839751854 1026249164 /nfs/dbraw/zinc/24/91/64/1026249164.db2.gz OWKZSIVRWXXWKI-UHFFFAOYSA-N -1 3 378.394 3.679 20 0 GHADHM CC(=O)c1ccc(C(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1[O-] ZINC000839786037 1026267207 /nfs/dbraw/zinc/26/72/07/1026267207.db2.gz ULKBXLDHEOSMBO-INIZCTEOSA-N -1 3 390.480 3.504 20 0 GHADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])cnn1-c1ccc(C(F)(F)F)cc1 ZINC001139461756 1026327602 /nfs/dbraw/zinc/32/76/02/1026327602.db2.gz QDFHVYLYXBTLKK-UHFFFAOYSA-N -1 3 376.338 3.861 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2)nc1 ZINC001139521469 1026378716 /nfs/dbraw/zinc/37/87/16/1026378716.db2.gz FUDHRHRFZVPAHQ-IBGZPJMESA-N -1 3 381.476 3.764 20 0 GHADHM CCc1cccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c1[O-] ZINC001141742282 1026400182 /nfs/dbraw/zinc/40/01/82/1026400182.db2.gz WISJPPHUMROCRH-UHFFFAOYSA-N -1 3 378.831 3.836 20 0 GHADHM O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164322040 1026484489 /nfs/dbraw/zinc/48/44/89/1026484489.db2.gz MHMPPAFQAMLAOZ-ZDUSSCGKSA-N -1 3 385.370 3.816 20 0 GHADHM CCC1CCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)CC1 ZINC001164455990 1026517640 /nfs/dbraw/zinc/51/76/40/1026517640.db2.gz IFEYYZSDOWNSAC-UHFFFAOYSA-N -1 3 381.448 3.787 20 0 GHADHM CC(C)CNC(=O)C1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCC1 ZINC001149160057 1026557924 /nfs/dbraw/zinc/55/79/24/1026557924.db2.gz FQTWMUWILTWDII-UHFFFAOYSA-N -1 3 396.487 3.999 20 0 GHADHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001139841646 1026658235 /nfs/dbraw/zinc/65/82/35/1026658235.db2.gz BTHODLOTGBVYEM-HNNXBMFYSA-N -1 3 395.890 3.828 20 0 GHADHM O=C([O-])N[C@@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000834150170 1026833300 /nfs/dbraw/zinc/83/33/00/1026833300.db2.gz LPIQUIMVAKTXQG-SFHVURJKSA-N -1 3 387.867 3.728 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2C1 ZINC000834264732 1026894550 /nfs/dbraw/zinc/89/45/50/1026894550.db2.gz PKMYUKQCQMSRJU-UHFFFAOYSA-N -1 3 386.423 3.963 20 0 GHADHM CC(C)CC[C@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(C)(C)C ZINC001209727213 1027123116 /nfs/dbraw/zinc/12/31/16/1027123116.db2.gz VQOGZHVYMLRENW-LBPRGKRZSA-N -1 3 377.348 3.973 20 0 GHADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC001209979166 1027300253 /nfs/dbraw/zinc/30/02/53/1027300253.db2.gz PMEOQUHQJUJSFR-GFCCVEGCSA-N -1 3 386.286 3.979 20 0 GHADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001210131746 1027352214 /nfs/dbraw/zinc/35/22/14/1027352214.db2.gz QNHHJMLFYHJUQJ-NXEZZACHSA-N -1 3 382.295 3.700 20 0 GHADHM CC1CCC(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC1 ZINC001210844706 1027676012 /nfs/dbraw/zinc/67/60/12/1027676012.db2.gz CTTNPAOQOJIZTC-GQOXECLESA-N -1 3 393.549 3.582 20 0 GHADHM C[C@H]1CN(S(=O)(=O)c2ccc(Nc3cccc([O-])c3Cl)cc2)C[C@H](C)O1 ZINC001210854815 1027681650 /nfs/dbraw/zinc/68/16/50/1027681650.db2.gz AQTHISFTZDYNMO-STQMWFEESA-N -1 3 396.896 3.587 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)OC ZINC001211119083 1027797254 /nfs/dbraw/zinc/79/72/54/1027797254.db2.gz VCFPNTLUIQSMCG-MRXNPFEDSA-N -1 3 382.551 3.930 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C[C@@H]1OC ZINC001211180747 1027825301 /nfs/dbraw/zinc/82/53/01/1027825301.db2.gz YQUKUVWPYVBHQG-OLZOCXBDSA-N -1 3 388.942 3.822 20 0 GHADHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1(C)C ZINC001211444786 1027962617 /nfs/dbraw/zinc/96/26/17/1027962617.db2.gz WIWGRPVYJGFUHW-STQMWFEESA-N -1 3 399.406 3.595 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC001213208590 1028045251 /nfs/dbraw/zinc/04/52/51/1028045251.db2.gz DQVUQORZKQBLEB-UHFFFAOYSA-N -1 3 376.288 3.779 20 0 GHADHM CC1(C)CC[C@H](CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)OC1 ZINC001213888453 1028431011 /nfs/dbraw/zinc/43/10/11/1028431011.db2.gz FDIWQEVHKHLCRK-OAHLLOKOSA-N -1 3 380.535 3.684 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)c1Cl ZINC001213929405 1028457079 /nfs/dbraw/zinc/45/70/79/1028457079.db2.gz WBOPYRIGLMMQPT-WFASDCNBSA-N -1 3 378.321 3.785 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccn2)cc1F ZINC001213948569 1028467951 /nfs/dbraw/zinc/46/79/51/1028467951.db2.gz YQDMSGOCGPGQSU-IBGZPJMESA-N -1 3 388.439 3.931 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(F)c(OC(F)(F)F)c3)no2)[n-]1 ZINC001213977338 1028486742 /nfs/dbraw/zinc/48/67/42/1028486742.db2.gz YHTUCPIJQAONIR-UHFFFAOYSA-N -1 3 385.273 3.946 20 0 GHADHM CC1CCC(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001142281548 1028564321 /nfs/dbraw/zinc/56/43/21/1028564321.db2.gz RVZQTWDTUJFMFE-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000841561039 1028730953 /nfs/dbraw/zinc/73/09/53/1028730953.db2.gz PSMKYOAYMIYRRK-GXTWGEPZSA-N -1 3 388.320 3.650 20 0 GHADHM O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001142425357 1028875172 /nfs/dbraw/zinc/87/51/72/1028875172.db2.gz KOFMSVNUKRORNQ-UHFFFAOYSA-N -1 3 399.406 3.573 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cc2cnn(C(C)C)c2nc1Cl)C(=O)[O-] ZINC000841808144 1028957315 /nfs/dbraw/zinc/95/73/15/1028957315.db2.gz IXRUAYQSKKYQPY-OAHLLOKOSA-N -1 3 396.944 3.908 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n[nH]c1C(F)(F)F ZINC001142523708 1029026582 /nfs/dbraw/zinc/02/65/82/1029026582.db2.gz BJQJXVCRMKNOMW-UHFFFAOYSA-N -1 3 391.375 3.793 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)no2)c1 ZINC001215155241 1029065733 /nfs/dbraw/zinc/06/57/33/1029065733.db2.gz HGJAKSFVNLSFCW-UHFFFAOYSA-N -1 3 378.388 3.621 20 0 GHADHM COCOc1ccc(N(C([S-])=NC(=O)OC)c2ccccc2N)cc1Cl ZINC001215266120 1029122621 /nfs/dbraw/zinc/12/26/21/1029122621.db2.gz LFALFEPDSFVBHV-UHFFFAOYSA-N -1 3 395.868 3.684 20 0 GHADHM Cc1cc(=O)oc2cc(OCCSCc3cc(=O)[n-]c(C4CC4)n3)ccc12 ZINC000842175945 1029126303 /nfs/dbraw/zinc/12/63/03/1029126303.db2.gz YQWMJNZUXWDJAX-UHFFFAOYSA-N -1 3 384.457 3.787 20 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CCOc1cc(Br)ccc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216737325 1029912711 /nfs/dbraw/zinc/91/27/11/1029912711.db2.gz YZGPTVJGAJNGBS-UHFFFAOYSA-N -1 3 377.194 3.976 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc1OC ZINC001216745165 1029916241 /nfs/dbraw/zinc/91/62/41/1029916241.db2.gz YLHVZEYGFYCOFT-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM COc1ccc(-c2nc(-c3ccc(Cl)c(OC)c3F)no2)c([O-])c1OC ZINC001216765849 1029925462 /nfs/dbraw/zinc/92/54/62/1029925462.db2.gz YAWPPKHSCPZGJN-UHFFFAOYSA-N -1 3 380.759 3.928 20 0 GHADHM [O-]c1cc(-c2nc(-c3cccc(N4CCOCC4)c3)no2)cc(C(F)(F)F)c1 ZINC001216895663 1029984824 /nfs/dbraw/zinc/98/48/24/1029984824.db2.gz GNCQLEAVBNFNNM-UHFFFAOYSA-N -1 3 391.349 3.965 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(-c3cc([O-])cc(F)c3F)n2)c1 ZINC001216924513 1030003812 /nfs/dbraw/zinc/00/38/12/1030003812.db2.gz NVJOLDBXFOJAFQ-UHFFFAOYSA-N -1 3 396.353 3.775 20 0 GHADHM CCc1cccnc1-c1noc(-c2cc([O-])ccc2I)n1 ZINC001216945162 1030018149 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3.769 20 0 GHADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4c([O-])cnc5ccccc54)n3)cn2)n1 ZINC001217441588 1030394313 /nfs/dbraw/zinc/39/43/13/1030394313.db2.gz NPGZPWXGPYXQQM-UHFFFAOYSA-N -1 3 384.399 3.855 20 0 GHADHM CC(=O)c1ccc(-c2noc(-c3ccc4[nH][n-]c(=O)c4c3)n2)c(Br)c1 ZINC001217474937 1030424399 /nfs/dbraw/zinc/42/43/99/1030424399.db2.gz ZGBSTUJVWQRLST-UHFFFAOYSA-N -1 3 399.204 3.951 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(Cl)c(F)cc4F)no3)c21 ZINC001217512500 1030454508 /nfs/dbraw/zinc/45/45/08/1030454508.db2.gz PTGGVOQMLIWORK-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COc1ccc2cc([O-])c(-c3nc(-c4ccccc4S(C)(=O)=O)no3)cc2c1 ZINC001217523694 1030464643 /nfs/dbraw/zinc/46/46/43/1030464643.db2.gz ADMXZACFXIFAPE-UHFFFAOYSA-N -1 3 396.424 3.675 20 0 GHADHM Cc1cccc([C@@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001150414325 1030521998 /nfs/dbraw/zinc/52/19/98/1030521998.db2.gz LTFXJNALFLHEMM-QHCPKHFHSA-N -1 3 375.468 3.949 20 0 GHADHM CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001150817167 1030671285 /nfs/dbraw/zinc/67/12/85/1030671285.db2.gz WLHLWSTUVXDDIB-INIZCTEOSA-N -1 3 382.460 3.652 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc3oc(=O)ccc3c2)c([O-])c1 ZINC001150999341 1030740269 /nfs/dbraw/zinc/74/02/69/1030740269.db2.gz CFOOALPNZAWSDV-UHFFFAOYSA-N -1 3 381.384 3.706 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](c3ccc(F)cc3)C2(C)C)c([O-])c1 ZINC001151141309 1030781273 /nfs/dbraw/zinc/78/12/73/1030781273.db2.gz SBXGZFVPXJYASR-LJQANCHMSA-N -1 3 398.478 3.754 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccc3c2ccn3C(=O)OC(C)(C)C)[n-]1 ZINC001151703188 1030976706 /nfs/dbraw/zinc/97/67/06/1030976706.db2.gz HKJLFIVHYGCBBQ-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccc3c2ccn3C(=O)OC(C)(C)C)c[n-]1 ZINC001151703188 1030976711 /nfs/dbraw/zinc/97/67/11/1030976711.db2.gz HKJLFIVHYGCBBQ-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM Cc1ccc(CCCO)c(NC(=O)c2nc3cc(Br)ccc3[n-]2)c1 ZINC001151826593 1031021161 /nfs/dbraw/zinc/02/11/61/1031021161.db2.gz JEDOGBQRVLNRRV-UHFFFAOYSA-N -1 3 388.265 3.811 20 0 GHADHM Cc1ccc(CCCO)c(NC(=O)c2nc3ccc(Br)cc3[n-]2)c1 ZINC001151826593 1031021178 /nfs/dbraw/zinc/02/11/78/1031021178.db2.gz JEDOGBQRVLNRRV-UHFFFAOYSA-N -1 3 388.265 3.811 20 0 GHADHM CON(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC001152142270 1031118562 /nfs/dbraw/zinc/11/85/62/1031118562.db2.gz NTUGNSAHWAIMGL-HNNXBMFYSA-N -1 3 385.460 3.717 20 0 GHADHM CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001152513563 1031263922 /nfs/dbraw/zinc/26/39/22/1031263922.db2.gz KUSNKKYZIMDDTD-GFCCVEGCSA-N -1 3 397.497 3.508 20 0 GHADHM CC(C)CCOC(=O)[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225578263 1031489142 /nfs/dbraw/zinc/48/91/42/1031489142.db2.gz CSSJPCJSUBCPEA-CQSZACIVSA-N -1 3 384.354 3.910 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225578067 1031489168 /nfs/dbraw/zinc/48/91/68/1031489168.db2.gz ASRWPPPSIMZLCM-PWSUYJOCSA-N -1 3 391.390 3.615 20 0 GHADHM Cc1cccc(C2(CNC(=O)c3c([O-])ccc4ccccc43)CCOCC2)n1 ZINC001153511202 1031626943 /nfs/dbraw/zinc/62/69/43/1031626943.db2.gz XLNJELJZJQMEEL-UHFFFAOYSA-N -1 3 376.456 3.727 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1cc2cccc(F)c2nc1Cl ZINC001225899644 1031684134 /nfs/dbraw/zinc/68/41/34/1031684134.db2.gz PTIHMFXRRFPQPZ-SECBINFHSA-N -1 3 391.786 3.840 20 0 GHADHM O=C(Nc1cnccc1C1CC1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153874180 1031786591 /nfs/dbraw/zinc/78/65/91/1031786591.db2.gz WPNWYSNSBZQTPC-UHFFFAOYSA-N -1 3 384.233 3.815 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877890 1031788149 /nfs/dbraw/zinc/78/81/49/1031788149.db2.gz IPCVCCWGWHNQLB-NWDGAFQWSA-N -1 3 377.282 3.847 20 0 GHADHM O=C(NCc1cc(C(F)(F)F)ccn1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908357 1031805820 /nfs/dbraw/zinc/80/58/20/1031805820.db2.gz CRUVTEASXKDLID-UHFFFAOYSA-N -1 3 381.741 3.525 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc2oc3ccccc3c2c1 ZINC001153940019 1031829594 /nfs/dbraw/zinc/82/95/94/1031829594.db2.gz DTOGRPPRVOTXHU-UHFFFAOYSA-N -1 3 392.367 3.740 20 0 GHADHM O=C(Nc1nccnc1OCc1ccccc1)c1c([O-])cc2ccccc2c1O ZINC001154023623 1031880016 /nfs/dbraw/zinc/88/00/16/1031880016.db2.gz ZIGQEDMNBSGLFX-UHFFFAOYSA-N -1 3 387.395 3.872 20 0 GHADHM COc1cccc(Cn2nccc2NC(=O)c2c([O-])cc3ccccc3c2O)c1 ZINC001154023090 1031880448 /nfs/dbraw/zinc/88/04/48/1031880448.db2.gz NGCRDGDKWZFCBG-UHFFFAOYSA-N -1 3 389.411 3.757 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)cc12 ZINC001226532237 1031999001 /nfs/dbraw/zinc/99/90/01/1031999001.db2.gz QESKUGITXJYFKO-DZGCQCFKSA-N -1 3 393.411 3.533 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)cc12 ZINC001226532881 1031999125 /nfs/dbraw/zinc/99/91/25/1031999125.db2.gz WPUSSVXWPWLYKK-CJNGLKHVSA-N -1 3 389.448 3.831 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596638 1032032714 /nfs/dbraw/zinc/03/27/14/1032032714.db2.gz NFNJGWBQRLXLHX-XJKSGUPXSA-N -1 3 389.448 3.913 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3F)nc2)[n-]n1 ZINC001157105406 1033416117 /nfs/dbraw/zinc/41/61/17/1033416117.db2.gz HUTTUDGJHOAASG-UHFFFAOYSA-N -1 3 384.367 3.554 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3F)nc2)n[n-]1 ZINC001157105406 1033416122 /nfs/dbraw/zinc/41/61/22/1033416122.db2.gz HUTTUDGJHOAASG-UHFFFAOYSA-N -1 3 384.367 3.554 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1cccc(Br)c1F ZINC001229337340 1033423082 /nfs/dbraw/zinc/42/30/82/1033423082.db2.gz DWCSVDUXTGJJCS-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1cccc(Br)c1F ZINC001229337340 1033423091 /nfs/dbraw/zinc/42/30/91/1033423091.db2.gz DWCSVDUXTGJJCS-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM C[C@H](c1ccccn1)N1CC[C@@H](Oc2cccc3c2cccc3S(=O)(=O)[O-])C1 ZINC001229352546 1033431413 /nfs/dbraw/zinc/43/14/13/1033431413.db2.gz FPXPFERRXMBXSL-HZPDHXFCSA-N -1 3 398.484 3.696 20 0 GHADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCN(c4cc(C)nc(Cl)n4)C3)c12 ZINC001229353900 1033433228 /nfs/dbraw/zinc/43/32/28/1033433228.db2.gz SKXKWAQMPZMXBS-SNVBAGLBSA-N -1 3 393.925 3.698 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001157234740 1033487200 /nfs/dbraw/zinc/48/72/00/1033487200.db2.gz RJHYRLWSWHOCGK-VIFPVBQESA-N -1 3 388.340 3.791 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1OC(F)(F)F ZINC001157244389 1033490322 /nfs/dbraw/zinc/49/03/22/1033490322.db2.gz VSOHKNYBFXQXMA-ZETCQYMHSA-N -1 3 382.264 3.522 20 0 GHADHM CCCN(CCN1CCCC1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC001157391303 1033565477 /nfs/dbraw/zinc/56/54/77/1033565477.db2.gz YWKCYKLKVHLLNF-UHFFFAOYSA-N -1 3 384.524 3.649 20 0 GHADHM CCOC(=O)COc1ccccc1-c1csc([N-]c2cnn3cccnc23)n1 ZINC001205966105 1033659487 /nfs/dbraw/zinc/65/94/87/1033659487.db2.gz WFPGFFSPQZOLQY-UHFFFAOYSA-N -1 3 395.444 3.538 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2cc(Br)c(F)cc2C1 ZINC001157807823 1033777621 /nfs/dbraw/zinc/77/76/21/1033777621.db2.gz VCPQFVVZFZBPHI-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C1CCC1)c1c(Cl)cccc1Br ZINC000324967235 1033870314 /nfs/dbraw/zinc/87/03/14/1033870314.db2.gz KNVABEKYWOOJMO-CYBMUJFWSA-N -1 3 378.719 3.960 20 0 GHADHM COC(=O)[C@H](Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-])C(F)(F)F ZINC001230454541 1034068619 /nfs/dbraw/zinc/06/86/19/1034068619.db2.gz WRDPYXCABUXFAR-HNNXBMFYSA-N -1 3 388.725 3.759 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3cc(C)cc(C)c3)CC2)c([O-])c1 ZINC001158505905 1034115119 /nfs/dbraw/zinc/11/51/19/1034115119.db2.gz AZSFRRXAOWVHAO-UHFFFAOYSA-N -1 3 394.515 3.844 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)nc21 ZINC001158873387 1034314539 /nfs/dbraw/zinc/31/45/39/1034314539.db2.gz HBQAZLRGGVPDSM-LBPRGKRZSA-N -1 3 397.406 3.726 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)cc21 ZINC001159063403 1034407977 /nfs/dbraw/zinc/40/79/77/1034407977.db2.gz MHSNLYZPAXIBCN-UHFFFAOYSA-N -1 3 394.431 3.818 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1(Cc2ccccc2Br)CC1 ZINC001159062957 1034408215 /nfs/dbraw/zinc/40/82/15/1034408215.db2.gz BZRMVUSZBQQPNQ-UHFFFAOYSA-N -1 3 386.249 3.992 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121320 1034411862 /nfs/dbraw/zinc/41/18/62/1034411862.db2.gz JEXFWQYYBGHBJG-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121320 1034411867 /nfs/dbraw/zinc/41/18/67/1034411867.db2.gz JEXFWQYYBGHBJG-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM Cc1cc(S(=O)(=O)c2cc(C)c(O[C@H]3COC[C@@H]3C)c(C)c2)cc(C)c1[O-] ZINC001231197269 1034457576 /nfs/dbraw/zinc/45/75/76/1034457576.db2.gz ZXYFSYNIQLKJQR-LPHOPBHVSA-N -1 3 390.501 3.872 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CCc3nc4ccccc4[nH]3)n[n-]2)cc1 ZINC001159356906 1034560212 /nfs/dbraw/zinc/56/02/12/1034560212.db2.gz IWWRZYWXRULPNG-UHFFFAOYSA-N -1 3 392.488 3.853 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)C1 ZINC001231457422 1034600422 /nfs/dbraw/zinc/60/04/22/1034600422.db2.gz SJEWCWACLMCQFY-UHFFFAOYSA-N -1 3 392.471 3.603 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231457948 1034602238 /nfs/dbraw/zinc/60/22/38/1034602238.db2.gz BTTYNYJJCKATDU-AWEZNQCLSA-N -1 3 380.460 3.603 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001159482920 1034614525 /nfs/dbraw/zinc/61/45/25/1034614525.db2.gz NDFUDNVJXXVZBV-MRXNPFEDSA-N -1 3 376.497 3.858 20 0 GHADHM CCOC(=O)[C@@H](C(=O)Nc1c([O-])ccc(Br)c1C)c1ccccc1 ZINC001159552281 1034661712 /nfs/dbraw/zinc/66/17/12/1034661712.db2.gz YODIHMPXZLVIRW-OAHLLOKOSA-N -1 3 392.249 3.749 20 0 GHADHM CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001231523691 1034675686 /nfs/dbraw/zinc/67/56/86/1034675686.db2.gz VVFGBEHBLXJVCB-UHFFFAOYSA-N -1 3 396.457 3.808 20 0 GHADHM CCOC[C@H]1CN(Cc2nc(C)ccc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001231671421 1034824938 /nfs/dbraw/zinc/82/49/38/1034824938.db2.gz ITFWACYPJHJGQE-LJQANCHMSA-N -1 3 384.524 3.618 20 0 GHADHM CC[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277547087 1034844867 /nfs/dbraw/zinc/84/48/67/1034844867.db2.gz CQFXBDCQBBRAFW-UKRRQHHQSA-N -1 3 395.341 3.672 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)ccc1Cl ZINC001231736379 1034870974 /nfs/dbraw/zinc/87/09/74/1034870974.db2.gz GFZJHLNEWGYREZ-GOSISDBHSA-N -1 3 394.853 3.573 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001208476691 1034909742 /nfs/dbraw/zinc/90/97/42/1034909742.db2.gz GCKGBKNVPCFUHZ-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM CO[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1Br ZINC001160321536 1034939565 /nfs/dbraw/zinc/93/95/65/1034939565.db2.gz SXQXYSTVUWZYNO-INIZCTEOSA-N -1 3 378.222 3.684 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cccc(Br)c1F ZINC001208610133 1034953466 /nfs/dbraw/zinc/95/34/66/1034953466.db2.gz IWTONPQWGQOUIR-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c([O-])c1C ZINC001160619829 1035018905 /nfs/dbraw/zinc/01/89/05/1035018905.db2.gz VWXIZRKLUMRSLE-UHFFFAOYSA-N -1 3 378.831 3.890 20 0 GHADHM Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)nc2)cc1 ZINC001160955194 1035104865 /nfs/dbraw/zinc/10/48/65/1035104865.db2.gz OVSHWFVLKFNILN-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)nc2)cc1 ZINC001160955194 1035104871 /nfs/dbraw/zinc/10/48/71/1035104871.db2.gz OVSHWFVLKFNILN-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc(Cl)c1[O-] ZINC001461947716 1069908833 /nfs/dbraw/zinc/90/88/33/1069908833.db2.gz CNLKGOBNXNJTTQ-CYBMUJFWSA-N -1 3 384.904 3.886 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001161299815 1035204767 /nfs/dbraw/zinc/20/47/67/1035204767.db2.gz UXPMWVKTQLIGSQ-IBGZPJMESA-N -1 3 382.504 3.570 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001161299816 1035204900 /nfs/dbraw/zinc/20/49/00/1035204900.db2.gz UXPMWVKTQLIGSQ-LJQANCHMSA-N -1 3 382.504 3.570 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001161356777 1035214764 /nfs/dbraw/zinc/21/47/64/1035214764.db2.gz CHGCKWWDKQRTBF-AZUAARDMSA-N -1 3 380.488 3.615 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cscn1 ZINC001209387466 1035265672 /nfs/dbraw/zinc/26/56/72/1035265672.db2.gz PLMUUINOUNYTJU-IBGZPJMESA-N -1 3 386.498 3.536 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2cccc3c2OC(F)(F)O3)c([O-])c1 ZINC001161662568 1035281453 /nfs/dbraw/zinc/28/14/53/1035281453.db2.gz YAWJSGSDMVNFEE-UHFFFAOYSA-N -1 3 393.386 3.865 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241271253 1035547286 /nfs/dbraw/zinc/54/72/86/1035547286.db2.gz OJDBFURTBDLLGW-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM O=C(NCc1nc(-c2ccc(Oc3ccccc3)nc2)no1)c1ccccc1[O-] ZINC001248503712 1035919744 /nfs/dbraw/zinc/91/97/44/1035919744.db2.gz LRTZEYXTTVQOLG-UHFFFAOYSA-N -1 3 388.383 3.560 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243546748 1036202946 /nfs/dbraw/zinc/20/29/46/1036202946.db2.gz DZZYVEMBPWHAEU-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244471527 1036517148 /nfs/dbraw/zinc/51/71/48/1036517148.db2.gz HLEMPODHIAXTFY-SFHVURJKSA-N -1 3 386.835 3.904 20 0 GHADHM Cc1cc(-c2cnc(N3CCOCC3)nc2OCc2ccccc2)cc([O-])c1F ZINC001244525749 1036533053 /nfs/dbraw/zinc/53/30/53/1036533053.db2.gz PYLPFQYKTIIWTA-UHFFFAOYSA-N -1 3 395.434 3.712 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001278430670 1037190854 /nfs/dbraw/zinc/19/08/54/1037190854.db2.gz ITDNAMVVWWWKOP-UHFFFAOYSA-N -1 3 379.476 3.533 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001278431205 1037193179 /nfs/dbraw/zinc/19/31/79/1037193179.db2.gz WGYDQESUGGRGBS-UHFFFAOYSA-N -1 3 379.476 3.533 20 0 GHADHM CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccc([O-])c(F)c1 ZINC001462214249 1070089363 /nfs/dbraw/zinc/08/93/63/1070089363.db2.gz HKYMPZSHSZUJCU-UHFFFAOYSA-N -1 3 396.484 3.573 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)cn1 ZINC001247263181 1038042459 /nfs/dbraw/zinc/04/24/59/1038042459.db2.gz AUMNIJJLMBUZKX-UHFFFAOYSA-N -1 3 383.717 3.760 20 0 GHADHM CC(C)Oc1cc(Br)ccc1-c1noc(C2CC(=O)C=C([O-])C2)n1 ZINC001247546178 1038243287 /nfs/dbraw/zinc/24/32/87/1038243287.db2.gz BUCDGPRKSPUSQM-UHFFFAOYSA-N -1 3 393.237 3.692 20 0 GHADHM CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232936544 1038716923 /nfs/dbraw/zinc/71/69/23/1038716923.db2.gz SSQXJCRVEUQNAJ-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232976600 1038746736 /nfs/dbraw/zinc/74/67/36/1038746736.db2.gz YZXQDYABMTZWCD-MJGOQNOKSA-N -1 3 375.415 3.982 20 0 GHADHM CC[C@@H]1N(Cc2cc(Cl)ncc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233033784 1038787570 /nfs/dbraw/zinc/78/75/70/1038787570.db2.gz BYUQHKAVWBLRKE-PXNSSMCTSA-N -1 3 377.916 3.586 20 0 GHADHM O=C1OC2(CCN(Cc3cc(Cl)ncc3[O-])CC2)c2ccc(Cl)cc21 ZINC001233037767 1038794105 /nfs/dbraw/zinc/79/41/05/1038794105.db2.gz FDGXOTONFPEXOL-UHFFFAOYSA-N -1 3 379.243 3.756 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc([O-])c2F)C[C@@H]1C(F)(F)F ZINC001233054119 1038812437 /nfs/dbraw/zinc/81/24/37/1038812437.db2.gz CPSHORFDJIYBAT-STQMWFEESA-N -1 3 392.393 3.809 20 0 GHADHM C[C@@H]1Cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2N(C)C1=O ZINC001252044721 1038829361 /nfs/dbraw/zinc/82/93/61/1038829361.db2.gz ZRZPNYUWCJNGLW-CQSZACIVSA-N -1 3 386.517 3.940 20 0 GHADHM Cc1cccc(CN2CC[C@]3(CCN(Cc4c(F)ccc([O-])c4F)C3)C2=O)c1 ZINC001233395038 1039230168 /nfs/dbraw/zinc/23/01/68/1039230168.db2.gz JXAKLZDPISXGRV-QFIPXVFZSA-N -1 3 386.442 3.603 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(F)ccc([O-])c1F ZINC001233396727 1039230208 /nfs/dbraw/zinc/23/02/08/1039230208.db2.gz RUBBNWKVZOSOGL-KRWDZBQOSA-N -1 3 375.415 3.939 20 0 GHADHM CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233395503 1039231511 /nfs/dbraw/zinc/23/15/11/1039231511.db2.gz ZUFPRSLCUBKQQM-MRXNPFEDSA-N -1 3 386.442 3.651 20 0 GHADHM COc1ccc(CN2CCc3ncc(Br)cc3C2)c(Cl)c1[O-] ZINC001233400824 1039241392 /nfs/dbraw/zinc/24/13/92/1039241392.db2.gz ZHUNJNRCCLPNRM-UHFFFAOYSA-N -1 3 383.673 3.770 20 0 GHADHM COc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1[O-] ZINC001233401312 1039243765 /nfs/dbraw/zinc/24/37/65/1039243765.db2.gz VBLYJWLBRMLKPP-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM COc1ccc(-c2nnc(-c3cccc(Br)c3)o2)c([O-])c1OC ZINC001253229597 1039485216 /nfs/dbraw/zinc/48/52/16/1039485216.db2.gz XPZOZJLKJPZEPU-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1c(Cl)cc(NC[C@](C)(O)C(=O)OCc2ccccc2)c([O-])c1Cl ZINC001253645962 1039751569 /nfs/dbraw/zinc/75/15/69/1039751569.db2.gz RCMRLDPETTXQMZ-SFHVURJKSA-N -1 3 384.259 3.914 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](COc1c(Cl)ccc([O-])c1F)O2 ZINC001234266009 1039944201 /nfs/dbraw/zinc/94/42/01/1039944201.db2.gz XULKGXRPUJGUCC-LLVKDONJSA-N -1 3 387.835 3.732 20 0 GHADHM CCOC(=O)[C@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-])C1CC1 ZINC001234381356 1039993152 /nfs/dbraw/zinc/99/31/52/1039993152.db2.gz ONWVZZLLFLUODA-LJQANCHMSA-N -1 3 380.396 3.886 20 0 GHADHM C=CC(=O)OC[C@@H](C)Oc1c(OC)c([O-])cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC001234760035 1040289995 /nfs/dbraw/zinc/28/99/95/1040289995.db2.gz VIYASAQXCWFXTH-DYVFJYSZSA-N -1 3 398.411 3.604 20 0 GHADHM COc1cc([O-])c(C)c(OC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234789788 1040321535 /nfs/dbraw/zinc/32/15/35/1040321535.db2.gz CBVALYGJWONUAN-UHFFFAOYSA-N -1 3 391.464 3.690 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1ccccc1 ZINC001234789624 1040321556 /nfs/dbraw/zinc/32/15/56/1040321556.db2.gz ASMQTNFQOJSING-NRFANRHFSA-N -1 3 385.460 3.900 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(=O)[n-]c3c1SCCC3)C2 ZINC001234907516 1040423570 /nfs/dbraw/zinc/42/35/70/1040423570.db2.gz YGETWZYQCKKIOU-ITGUQSILSA-N -1 3 393.509 3.530 20 0 GHADHM COc1nccc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)n1 ZINC001278870711 1041111069 /nfs/dbraw/zinc/11/10/69/1041111069.db2.gz LRFKYFGJRNTPHV-UHFFFAOYSA-N -1 3 382.232 3.563 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255869108 1041358255 /nfs/dbraw/zinc/35/82/55/1041358255.db2.gz DQVDNXNYLFRJLB-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=C1C[C@@H]2[C@H](CCN2Cc2ccc(Br)c([O-])c2)N1c1ccsc1 ZINC001236685318 1041831489 /nfs/dbraw/zinc/83/14/89/1041831489.db2.gz SVGIATLQFSGMMF-LSDHHAIUSA-N -1 3 393.306 3.596 20 0 GHADHM [O-]c1cc(CN2CCN(c3nccc4occc43)CC2)ccc1Br ZINC001236686876 1041832447 /nfs/dbraw/zinc/83/24/47/1041832447.db2.gz HGZRLYHAJKLWOH-UHFFFAOYSA-N -1 3 388.265 3.618 20 0 GHADHM Cc1cccnc1O[C@@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236695854 1041836466 /nfs/dbraw/zinc/83/64/66/1041836466.db2.gz PKNPFIGTGXFSPI-OAHLLOKOSA-N -1 3 377.282 3.902 20 0 GHADHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cnc2c(c1)CNCC2 ZINC001237478496 1042226382 /nfs/dbraw/zinc/22/63/82/1042226382.db2.gz FEBHCHQSFJNJLQ-UHFFFAOYSA-N -1 3 393.921 3.705 20 0 GHADHM O=S(=O)([N-]c1cccc2c1CNC2)c1cc(Br)ccc1Cl ZINC001237718713 1042340927 /nfs/dbraw/zinc/34/09/27/1042340927.db2.gz JBVIUAJABCVURM-UHFFFAOYSA-N -1 3 387.686 3.507 20 0 GHADHM Cc1cccc(CN2C[C@@H]3CN(Cc4cc(F)c([O-])c(Cl)c4)C[C@@H]3C2=O)c1 ZINC001237988040 1042445860 /nfs/dbraw/zinc/44/58/60/1042445860.db2.gz HRLSMESYVJVCTR-IRXDYDNUSA-N -1 3 388.870 3.584 20 0 GHADHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)c([O-])c(Cl)c1)[C@@H]2C ZINC001237991484 1042447033 /nfs/dbraw/zinc/44/70/33/1042447033.db2.gz IWTNQQXLNDXULY-CYBMUJFWSA-N -1 3 380.895 3.798 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@@H]2C1 ZINC001237998676 1042451209 /nfs/dbraw/zinc/45/12/09/1042451209.db2.gz VPSPYTFZKHGTSR-UONOGXRCSA-N -1 3 384.879 3.874 20 0 GHADHM [O-]c1cc(F)c(CN2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)cc1Cl ZINC001238146248 1042503254 /nfs/dbraw/zinc/50/32/54/1042503254.db2.gz GBLHKJCTPVONJI-NVXWUHKLSA-N -1 3 376.859 3.522 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238233189 1042526844 /nfs/dbraw/zinc/52/68/44/1042526844.db2.gz JDLYODJNFZIDGI-OAQYLSRUSA-N -1 3 392.471 3.747 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccc(F)cc3C(=O)[O-])C2)C1 ZINC001238233019 1042527111 /nfs/dbraw/zinc/52/71/11/1042527111.db2.gz HMLJSRWOMPSCPO-OAQYLSRUSA-N -1 3 392.471 3.747 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238667096 1042677188 /nfs/dbraw/zinc/67/71/88/1042677188.db2.gz QKCRCARGCCVFRM-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCNc2ccccc21)c1ccc(Br)cc1F ZINC001238799532 1042733959 /nfs/dbraw/zinc/73/39/59/1042733959.db2.gz IMJPFHVCDFWVFB-OAHLLOKOSA-N -1 3 399.285 3.814 20 0 GHADHM CCN1CCN(C(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c2ccccc21 ZINC001292882058 1043929001 /nfs/dbraw/zinc/92/90/01/1043929001.db2.gz YSQMRYIRCKUIAZ-UHFFFAOYSA-N -1 3 389.455 3.858 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN1Cc1ccccc1)c1cccc(Cl)c1Cl ZINC001257293576 1043959112 /nfs/dbraw/zinc/95/91/12/1043959112.db2.gz PUFVXYYIBZJFQB-AWEZNQCLSA-N -1 3 385.316 3.546 20 0 GHADHM COc1ccc([O-])c(-c2nnc(-c3cccc(Cn4nc(C)cc4C)c3)o2)c1 ZINC001257410583 1043991184 /nfs/dbraw/zinc/99/11/84/1043991184.db2.gz MGDTWZMYXUUEKH-UHFFFAOYSA-N -1 3 376.416 3.979 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1N1CCCCC1 ZINC001293387865 1044146794 /nfs/dbraw/zinc/14/67/94/1044146794.db2.gz XOJQHGYKKQBWBV-UHFFFAOYSA-N -1 3 395.484 3.948 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)n1)c1c(Cl)cccc1Cl ZINC001257795072 1044179071 /nfs/dbraw/zinc/17/90/71/1044179071.db2.gz KXUWZYVYHYVQBW-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]c1cc(F)nc(F)c1Cl)c1cccc(Br)c1 ZINC001257818249 1044200980 /nfs/dbraw/zinc/20/09/80/1044200980.db2.gz PVJFZRCTIXPUDX-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)c(F)c1F)c1cccc(Br)c1 ZINC001257854783 1044222360 /nfs/dbraw/zinc/22/23/60/1044222360.db2.gz FVGNLCDVKXAMNO-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM CC(C)n1c(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)nc2ccccc21 ZINC001293907436 1044372882 /nfs/dbraw/zinc/37/28/82/1044372882.db2.gz ISWPULDLQAXSMZ-UHFFFAOYSA-N -1 3 396.397 3.667 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCC2 ZINC001462833171 1070582656 /nfs/dbraw/zinc/58/26/56/1070582656.db2.gz KMUUUSHGIZQAJR-UHFFFAOYSA-N -1 3 386.336 3.786 20 0 GHADHM CCc1ccc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c([O-])c1 ZINC001294723311 1044776507 /nfs/dbraw/zinc/77/65/07/1044776507.db2.gz XBVQNBLGDVBNAC-HSZRJFAPSA-N -1 3 391.467 3.997 20 0 GHADHM O=S(=O)([N-]c1cc2nsnc2cc1Cl)c1ccc(F)cc1Cl ZINC001258916997 1044873481 /nfs/dbraw/zinc/87/34/81/1044873481.db2.gz IHKBRUUSHRWKEI-UHFFFAOYSA-N -1 3 378.237 3.938 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)ccc1Br ZINC001258936371 1044892290 /nfs/dbraw/zinc/89/22/90/1044892290.db2.gz GJPOUBRBEBTYQK-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Br ZINC001258942167 1044899155 /nfs/dbraw/zinc/89/91/55/1044899155.db2.gz KDFJRUDZHMFOAX-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C ZINC001258947511 1044900979 /nfs/dbraw/zinc/90/09/79/1044900979.db2.gz MRVCMYIJZVFNBQ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1nc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c(Cl)cc1Cl ZINC001258979010 1044916815 /nfs/dbraw/zinc/91/68/15/1044916815.db2.gz FDVIKMKMOGVCBW-QLJPJBMISA-N -1 3 391.320 3.834 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)c(F)c1Cl)C(=O)C2 ZINC001258987136 1044920276 /nfs/dbraw/zinc/92/02/76/1044920276.db2.gz WGBOMUHTCJTMLB-JDNHERCYSA-N -1 3 377.840 3.755 20 0 GHADHM O=S(=O)([N-][C@@H]1CC12CCC(F)(F)CC2)c1ccc(Br)s1 ZINC001259062173 1044942813 /nfs/dbraw/zinc/94/28/13/1044942813.db2.gz PYIWRSLEUQJBKM-MRVPVSSYSA-N -1 3 386.283 3.757 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)c(C)c1 ZINC001259100794 1044961916 /nfs/dbraw/zinc/96/19/16/1044961916.db2.gz NQWDKZGVSVMACD-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1cccc(-c3ccccc3)c1)C(=O)N2 ZINC001259232317 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ZINC001302618379 1047008217 /nfs/dbraw/zinc/00/82/17/1047008217.db2.gz RJCIDFFQLKGYEH-MEJMFZKBSA-N -1 3 394.418 3.960 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000382558798 1047043370 /nfs/dbraw/zinc/04/33/70/1047043370.db2.gz QKZQSGOLGBZCOC-MRXNPFEDSA-N -1 3 389.293 3.549 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001303521713 1047412112 /nfs/dbraw/zinc/41/21/12/1047412112.db2.gz SUMIURDPOMKKON-KGLIPLIRSA-N -1 3 378.259 3.786 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001303521714 1047412139 /nfs/dbraw/zinc/41/21/39/1047412139.db2.gz SUMIURDPOMKKON-UONOGXRCSA-N -1 3 378.259 3.786 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Br)ccc2Cl)c1 ZINC001303714829 1047492297 /nfs/dbraw/zinc/49/22/97/1047492297.db2.gz FWTOWEROWIMBPH-UHFFFAOYSA-N -1 3 397.656 3.697 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1ccc(Br)cc1Cl ZINC000391033264 1047526271 /nfs/dbraw/zinc/52/62/71/1047526271.db2.gz NRURABSAMXGLED-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001303955007 1047543760 /nfs/dbraw/zinc/54/37/60/1047543760.db2.gz YDJAOBPHNRMWHA-JOCHJYFZSA-N -1 3 388.508 3.960 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(N3CCC(C)CC3)cc2)c([O-])c(OC)c1 ZINC001304505891 1047695824 /nfs/dbraw/zinc/69/58/24/1047695824.db2.gz UCWOTUMVKQFMGS-UHFFFAOYSA-N -1 3 398.459 3.676 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)c(F)c1 ZINC001304566441 1047714944 /nfs/dbraw/zinc/71/49/44/1047714944.db2.gz VDXWTFJKHIECEI-GFCCVEGCSA-N -1 3 385.370 3.787 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)c(F)c1 ZINC001304566441 1047714950 /nfs/dbraw/zinc/71/49/50/1047714950.db2.gz VDXWTFJKHIECEI-GFCCVEGCSA-N -1 3 385.370 3.787 20 0 GHADHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(-c2ccccc2)ccc1Cl ZINC001304645616 1047739498 /nfs/dbraw/zinc/73/94/98/1047739498.db2.gz APGMYYLFRFRRGW-INIZCTEOSA-N -1 3 394.862 3.511 20 0 GHADHM CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc([S-])c1 ZINC001279199038 1047741174 /nfs/dbraw/zinc/74/11/74/1047741174.db2.gz PDYUBRNSLFSZRC-YTQUADARSA-N -1 3 376.566 3.717 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C=Cc3ccc4c(c3)OCO4)n[n-]2)cc1 ZINC001305458410 1048065657 /nfs/dbraw/zinc/06/56/57/1048065657.db2.gz RMGMNJIFYBGPRH-VQHVLOKHSA-N -1 3 394.456 3.786 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)c2ccc(Br)cc2O1 ZINC001280467557 1048223436 /nfs/dbraw/zinc/22/34/36/1048223436.db2.gz KMALXGJHHBCJLA-LLVKDONJSA-N -1 3 399.244 3.718 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@H]3C[C@H]3CC(C)C)[n-]c2c(Br)c1 ZINC001463320041 1070985362 /nfs/dbraw/zinc/98/53/62/1070985362.db2.gz MWABUAWLMBGWMM-MWLCHTKSSA-N -1 3 394.269 3.733 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CCC1 ZINC001463324220 1070987996 /nfs/dbraw/zinc/98/79/96/1070987996.db2.gz GTMIBDVUWTZMQO-UHFFFAOYSA-N -1 3 381.519 3.937 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)c([O-])c1 ZINC001306211994 1048505433 /nfs/dbraw/zinc/50/54/33/1048505433.db2.gz RHJQCVWQBWHABR-UHFFFAOYSA-N -1 3 382.504 3.838 20 0 GHADHM O=C([N-]c1c(F)ccc(Br)c1F)c1ccc(Cn2cccn2)o1 ZINC001289427145 1049482158 /nfs/dbraw/zinc/48/21/58/1049482158.db2.gz GIRQKVAOPYMQPJ-UHFFFAOYSA-N -1 3 382.164 3.817 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(Cc4ccccc4F)CC3)nc21 ZINC001289644649 1049574681 /nfs/dbraw/zinc/57/46/81/1049574681.db2.gz TVPTZTGBRFLNKB-UHFFFAOYSA-N -1 3 381.407 3.840 20 0 GHADHM COc1ccc([C@H](CNC(=O)c2ncc3ccccc3c2[O-])N2CCCC2)cc1 ZINC001290006802 1049707506 /nfs/dbraw/zinc/70/75/06/1049707506.db2.gz ZNPCQSKMKCZCSU-FQEVSTJZSA-N -1 3 391.471 3.516 20 0 GHADHM CN(CCOc1ccc(Br)cc1)C(=O)c1cc([O-])ccc1Cl ZINC001290122358 1049738191 /nfs/dbraw/zinc/73/81/91/1049738191.db2.gz UKAVZAPTFTUFFK-UHFFFAOYSA-N -1 3 384.657 3.959 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001290223365 1049766387 /nfs/dbraw/zinc/76/63/87/1049766387.db2.gz BTXJMPHHGQNIIG-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM CCOc1cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1[O-] ZINC001308650775 1050047956 /nfs/dbraw/zinc/04/79/56/1050047956.db2.gz QBOPCFQSBLOKJM-UHFFFAOYSA-N -1 3 384.904 3.887 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)c(F)c1 ZINC001309004031 1050263052 /nfs/dbraw/zinc/26/30/52/1050263052.db2.gz BZLLKNNLAQJCFQ-UHFFFAOYSA-N -1 3 399.443 3.680 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc1[O-] ZINC001327833398 1050293461 /nfs/dbraw/zinc/29/34/61/1050293461.db2.gz ZKNOXYWJTSETRA-UHFFFAOYSA-N -1 3 377.362 3.928 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3[nH]c(C)c(C)c3c2)cc1F ZINC001309109243 1050363787 /nfs/dbraw/zinc/36/37/87/1050363787.db2.gz SLRCJIFWZQCFNQ-UHFFFAOYSA-N -1 3 380.416 3.550 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)c(F)c1F ZINC001309139340 1050394173 /nfs/dbraw/zinc/39/41/73/1050394173.db2.gz RMVQJEPLBBNAEK-UHFFFAOYSA-N -1 3 396.459 3.858 20 0 GHADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)o1 ZINC001309232471 1050498432 /nfs/dbraw/zinc/49/84/32/1050498432.db2.gz MBHCXVOFUYYTNQ-SECBINFHSA-N -1 3 396.818 3.955 20 0 GHADHM O=S(=O)([N-]CC(C1CC1)C1CC1)c1cc(Cl)ccc1Br ZINC001309251544 1050520296 /nfs/dbraw/zinc/52/02/96/1050520296.db2.gz CLPZASQSMPMNCQ-UHFFFAOYSA-N -1 3 378.719 3.817 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21)C(=O)OC(C)(C)C ZINC001309310518 1050580444 /nfs/dbraw/zinc/58/04/44/1050580444.db2.gz XONLQFKXXGJXRR-HKUYNNGSSA-N -1 3 395.565 3.782 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 ZINC001309336618 1050606032 /nfs/dbraw/zinc/60/60/32/1050606032.db2.gz XAXPFHSMVTZFAA-UHFFFAOYSA-N -1 3 380.535 3.604 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2Cl)CCCC1)c1c[nH]nc1Cl ZINC001309426185 1050708740 /nfs/dbraw/zinc/70/87/40/1050708740.db2.gz UORYNWFMOKFHQX-UHFFFAOYSA-N -1 3 392.283 3.646 20 0 GHADHM C[C@](O)(CC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001309427105 1050710917 /nfs/dbraw/zinc/71/09/17/1050710917.db2.gz KDROJGBERYQRQD-KRWDZBQOSA-N -1 3 396.921 3.526 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001329072628 1050712332 /nfs/dbraw/zinc/71/23/32/1050712332.db2.gz BPJFVQPTJMYWKB-UHFFFAOYSA-N -1 3 377.847 3.971 20 0 GHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1)C(F)(F)F ZINC001309449528 1050727689 /nfs/dbraw/zinc/72/76/89/1050727689.db2.gz GJKWFPFGRYWHIO-PELKAZGASA-N -1 3 393.349 3.969 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(Cl)c1F ZINC001309501814 1050768844 /nfs/dbraw/zinc/76/88/44/1050768844.db2.gz KQMOQHOGQOAZEO-JTQLQIEISA-N -1 3 379.762 3.862 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001330765347 1051098095 /nfs/dbraw/zinc/09/80/95/1051098095.db2.gz BBISHTZHHSRMAA-LJQANCHMSA-N -1 3 393.409 3.980 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc2c(cncc2Cl)s1 ZINC001331501277 1051303509 /nfs/dbraw/zinc/30/35/09/1051303509.db2.gz SBDLZBZZAHXOFL-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM [O-]C(=NO[C@H](CO)C1CCCC1)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001311002309 1051766547 /nfs/dbraw/zinc/76/65/47/1051766547.db2.gz QNCRNYNYJADWFW-MRXNPFEDSA-N -1 3 397.447 3.616 20 0 GHADHM O=C([N-]O[C@H](CO)C1CCCC1)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001311002309 1051766558 /nfs/dbraw/zinc/76/65/58/1051766558.db2.gz QNCRNYNYJADWFW-MRXNPFEDSA-N -1 3 397.447 3.616 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCC1)c1cc(Cl)ccc1Br ZINC001475421278 1051929141 /nfs/dbraw/zinc/92/91/41/1051929141.db2.gz WBMFDXMPLUVSAG-JQWIXIFHSA-N -1 3 378.719 3.817 20 0 GHADHM C[C@@H]1CCc2ccccc2N1CCNCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001334751098 1051973403 /nfs/dbraw/zinc/97/34/03/1051973403.db2.gz MWIFQDLRJQSIEW-QGZVFWFLSA-N -1 3 397.519 3.512 20 0 GHADHM CCOc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cc1F ZINC001334794427 1051980558 /nfs/dbraw/zinc/98/05/58/1051980558.db2.gz RDQBWCWQRBZETI-CVEARBPZSA-N -1 3 379.378 3.803 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cc(Cl)ccc1Br ZINC001312072480 1052557465 /nfs/dbraw/zinc/55/74/65/1052557465.db2.gz SRSMHCLIYHZELC-UHFFFAOYSA-N -1 3 387.636 3.947 20 0 GHADHM COc1cccc(-c2csc(CNCC[C@H](CC(=O)[O-])C(F)(F)F)n2)c1 ZINC001343426712 1053764769 /nfs/dbraw/zinc/76/47/69/1053764769.db2.gz CCAQEWIQBQPGHD-GFCCVEGCSA-N -1 3 388.411 3.952 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2sc(C(C)(C)C)cc2C(=O)OC)s1 ZINC001343703229 1053978219 /nfs/dbraw/zinc/97/82/19/1053978219.db2.gz ANOICVIMXFBZFB-UHFFFAOYSA-N -1 3 396.490 3.718 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc([O-])c1F)Cc1ccccc1 ZINC000762313177 1054356254 /nfs/dbraw/zinc/35/62/54/1054356254.db2.gz TZAYFNWTLCMBCX-HNNXBMFYSA-N -1 3 388.439 3.996 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(CN(C)C)c(Cl)c3)cc2o1 ZINC001344431272 1054460923 /nfs/dbraw/zinc/46/09/23/1054460923.db2.gz JRMUWLSYUVSEJZ-UHFFFAOYSA-N -1 3 379.869 3.652 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1 ZINC001318194105 1054489100 /nfs/dbraw/zinc/48/91/00/1054489100.db2.gz FQJOKPCJRRLZCP-UHFFFAOYSA-N -1 3 387.436 3.766 20 0 GHADHM Cc1ccc(SC2(CNC(=O)CCc3c(C)nc[n-]c3=O)CCCC2)cc1 ZINC001318969328 1054970766 /nfs/dbraw/zinc/97/07/66/1054970766.db2.gz QMKQNZZWFLAGMI-UHFFFAOYSA-N -1 3 385.533 3.953 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2cnc(-c3ccccc3)s2)[n-]1 ZINC001319732582 1055432407 /nfs/dbraw/zinc/43/24/07/1055432407.db2.gz GNTNZYIINNVQAD-AREMUKBSSA-N -1 3 399.419 3.773 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cncc(OCC(F)F)c1 ZINC001320726404 1055941457 /nfs/dbraw/zinc/94/14/57/1055941457.db2.gz HQYKIXPVUIGCMU-UHFFFAOYSA-N -1 3 385.330 3.509 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cncc(OCC(F)F)c1 ZINC001320726404 1055941461 /nfs/dbraw/zinc/94/14/61/1055941461.db2.gz HQYKIXPVUIGCMU-UHFFFAOYSA-N -1 3 385.330 3.509 20 0 GHADHM CC[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1cc(F)cc(Br)c1 ZINC001320739999 1055945461 /nfs/dbraw/zinc/94/54/61/1055945461.db2.gz QPJWAPCISIERRA-HNNXBMFYSA-N -1 3 396.260 3.592 20 0 GHADHM CS[C@H]1CC[C@@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001320819758 1055973796 /nfs/dbraw/zinc/97/37/96/1055973796.db2.gz MNNJDOJAKXJXSN-NEPJUHHUSA-N -1 3 395.322 3.647 20 0 GHADHM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001300495574 1056285030 /nfs/dbraw/zinc/28/50/30/1056285030.db2.gz HWORPXYKSKZDCL-LJQANCHMSA-N -1 3 384.382 3.818 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001323115721 1056924517 /nfs/dbraw/zinc/92/45/17/1056924517.db2.gz UEXFQTAYMOYPKP-QFIPXVFZSA-N -1 3 387.483 3.792 20 0 GHADHM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000848362959 1057045357 /nfs/dbraw/zinc/04/53/57/1057045357.db2.gz CTEGENCQJJSDKT-MRXNPFEDSA-N -1 3 398.484 3.685 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)n[n-]2)o1 ZINC001323995484 1057051434 /nfs/dbraw/zinc/05/14/34/1057051434.db2.gz ULRPNOTYHVMJSB-UHFFFAOYSA-N -1 3 379.416 3.571 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)[n-]n2)o1 ZINC001323995484 1057051438 /nfs/dbraw/zinc/05/14/38/1057051438.db2.gz ULRPNOTYHVMJSB-UHFFFAOYSA-N -1 3 379.416 3.571 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2occc21)c1ccc(C(F)(F)F)nc1Cl ZINC001324497119 1057149044 /nfs/dbraw/zinc/14/90/44/1057149044.db2.gz AVMJPWZBEQUTMR-SECBINFHSA-N -1 3 380.775 3.703 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC001324733316 1057214688 /nfs/dbraw/zinc/21/46/88/1057214688.db2.gz LWRMQAMHYGALRP-SSDOTTSWSA-N -1 3 385.820 3.558 20 0 GHADHM O=S(=O)(Cc1ccc(Br)cc1F)[N-]c1ncccc1Cl ZINC001324759766 1057220445 /nfs/dbraw/zinc/22/04/45/1057220445.db2.gz RXEBXULSEYHQTJ-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)C1 ZINC001355708265 1057256248 /nfs/dbraw/zinc/25/62/48/1057256248.db2.gz WJOWAAGOUYCYPW-PXAZEXFGSA-N -1 3 394.454 3.582 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(C)c3ncccc23)cn1 ZINC001325120612 1057277813 /nfs/dbraw/zinc/27/78/13/1057277813.db2.gz DKQZONVBIRHBAL-UHFFFAOYSA-N -1 3 377.853 3.791 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC001325299929 1057308496 /nfs/dbraw/zinc/30/84/96/1057308496.db2.gz DTGMTRSUDKECQI-GFCCVEGCSA-N -1 3 395.695 3.708 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC001440410722 1058514740 /nfs/dbraw/zinc/51/47/40/1058514740.db2.gz KALFUTAOCVUBCE-WOSRLPQWSA-N -1 3 395.459 3.547 20 0 GHADHM CC(C)(C)c1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)co1 ZINC001442724262 1058998761 /nfs/dbraw/zinc/99/87/61/1058998761.db2.gz PCWRZSONNYMVQO-UHFFFAOYSA-N -1 3 390.241 3.772 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001442796645 1059009232 /nfs/dbraw/zinc/00/92/32/1059009232.db2.gz JYISJIYWTNWBKR-KRWDZBQOSA-N -1 3 382.847 3.998 20 0 GHADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])n(-c2cccc(Cl)c2)n1 ZINC001339237161 1059031976 /nfs/dbraw/zinc/03/19/76/1059031976.db2.gz ABVCMBSYFJHYJW-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc(Cl)c2ccccc2c1[O-] ZINC001443018476 1059045867 /nfs/dbraw/zinc/04/58/67/1059045867.db2.gz QCZONCWUXQHZKK-UHFFFAOYSA-N -1 3 378.819 3.914 20 0 GHADHM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC001443018476 1059045882 /nfs/dbraw/zinc/04/58/82/1059045882.db2.gz QCZONCWUXQHZKK-UHFFFAOYSA-N -1 3 378.819 3.914 20 0 GHADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC001443291715 1059098344 /nfs/dbraw/zinc/09/83/44/1059098344.db2.gz IIALHIDAEXIZOY-UHFFFAOYSA-N -1 3 382.485 3.971 20 0 GHADHM CC(=O)c1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1[O-] ZINC001443412932 1059125530 /nfs/dbraw/zinc/12/55/30/1059125530.db2.gz XSTWYWOHOAEIHF-UHFFFAOYSA-N -1 3 381.428 3.565 20 0 GHADHM Cc1nc(-c2nnc(N(Cc3ccc4ccccc4c3)C3CC3)n2C)cc(=O)[n-]1 ZINC001339471358 1059239888 /nfs/dbraw/zinc/23/98/88/1059239888.db2.gz MEQBXSBWANLWRM-UHFFFAOYSA-N -1 3 386.459 3.608 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(=Cc2ccccc2F)CC1 ZINC001340018872 1059622752 /nfs/dbraw/zinc/62/27/52/1059622752.db2.gz HUJGJNXHABZRFB-UHFFFAOYSA-N -1 3 394.454 3.592 20 0 GHADHM O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1ccc([O-])c(Br)c1 ZINC001445912117 1059654013 /nfs/dbraw/zinc/65/40/13/1059654013.db2.gz OJBHIAVHPNHUNP-UHFFFAOYSA-N -1 3 394.656 3.543 20 0 GHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340173795 1059741397 /nfs/dbraw/zinc/74/13/97/1059741397.db2.gz HYEKTQNMFVPNPQ-PBHICJAKSA-N -1 3 399.532 3.601 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC001446499392 1059783990 /nfs/dbraw/zinc/78/39/90/1059783990.db2.gz RZOOHJURMAOFBF-SBUREZEXSA-N -1 3 375.468 3.705 20 0 GHADHM COc1ccc(C2(CNC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CCC2)cc1 ZINC001446647005 1059826160 /nfs/dbraw/zinc/82/61/60/1059826160.db2.gz YIKSBOFFEFBNFH-UHFFFAOYSA-N -1 3 398.409 3.667 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)c(Br)s2)c([O-])c1 ZINC001447057035 1059922855 /nfs/dbraw/zinc/92/28/55/1059922855.db2.gz DBAUMUCICRNJLO-UHFFFAOYSA-N -1 3 384.251 3.954 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1ncccc1[O-] ZINC001447602451 1059986171 /nfs/dbraw/zinc/98/61/71/1059986171.db2.gz HWQZZBMNHTTZFP-OFQRWUPVSA-N -1 3 375.469 3.542 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H]1Oc1ccccc1 ZINC001448162967 1060123979 /nfs/dbraw/zinc/12/39/79/1060123979.db2.gz NXRORDJBOUINBB-POAQFYNOSA-N -1 3 383.469 3.962 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(OCCCO)cc2)s1 ZINC001449204348 1060350772 /nfs/dbraw/zinc/35/07/72/1060350772.db2.gz MHGDILZRWBBTFK-UHFFFAOYSA-N -1 3 393.465 3.504 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC001449261913 1060364196 /nfs/dbraw/zinc/36/41/96/1060364196.db2.gz GINYEYOFKYNQGM-MRXNPFEDSA-N -1 3 399.299 3.952 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(=O)c2ccccc2n1C ZINC001450230290 1060558389 /nfs/dbraw/zinc/55/83/89/1060558389.db2.gz WSXLFZPQVINJQR-UHFFFAOYSA-N -1 3 387.233 3.567 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC001546025270 1060661628 /nfs/dbraw/zinc/66/16/28/1060661628.db2.gz FMWCFKFIFOJXCM-INIZCTEOSA-N -1 3 384.407 3.688 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001341425068 1060664942 /nfs/dbraw/zinc/66/49/42/1060664942.db2.gz OADYIAKXXAHSKU-KRWDZBQOSA-N -1 3 392.507 3.670 20 0 GHADHM CC[C@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001341426639 1060667852 /nfs/dbraw/zinc/66/78/52/1060667852.db2.gz XEMITBUOTMAOCS-KRWDZBQOSA-N -1 3 378.480 3.566 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001341539934 1060735982 /nfs/dbraw/zinc/73/59/82/1060735982.db2.gz NUPCYFIYQUKXSO-NVXWUHKLSA-N -1 3 393.409 3.895 20 0 GHADHM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001451224360 1060751738 /nfs/dbraw/zinc/75/17/38/1060751738.db2.gz OCUVCIMMRVOMLT-UHFFFAOYSA-N -1 3 392.394 3.622 20 0 GHADHM O=C(CCCc1ncc(-c2ccccc2)o1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001451224360 1060751752 /nfs/dbraw/zinc/75/17/52/1060751752.db2.gz OCUVCIMMRVOMLT-UHFFFAOYSA-N -1 3 392.394 3.622 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3ccnc(Cl)c3c2)c([O-])c1 ZINC001451823299 1060844001 /nfs/dbraw/zinc/84/40/01/1060844001.db2.gz RQTXKXNHQZACIR-UHFFFAOYSA-N -1 3 383.835 3.661 20 0 GHADHM COC(=O)c1cnc([C@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC001451874259 1060854715 /nfs/dbraw/zinc/85/47/15/1060854715.db2.gz YCULUJKKJQVZBV-LBPRGKRZSA-N -1 3 398.440 3.919 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2ccc(Oc3ccccc3)cn2)cc1 ZINC001452458976 1060941525 /nfs/dbraw/zinc/94/15/25/1060941525.db2.gz YBDCXMYAPZNREP-UHFFFAOYSA-N -1 3 398.365 3.974 20 0 GHADHM Cc1ccc(-n2cc(C(=O)NCc3nc(C)cc(=O)[n-]3)c(-c3ccccc3)n2)cc1 ZINC001452733716 1060996549 /nfs/dbraw/zinc/99/65/49/1060996549.db2.gz HEHWRKGDHSNBGL-UHFFFAOYSA-N -1 3 399.454 3.582 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC001346308320 1061508920 /nfs/dbraw/zinc/50/89/20/1061508920.db2.gz LZNGQAXXGBUBAR-UHFFFAOYSA-N -1 3 382.291 3.868 20 0 GHADHM COc1nnc([N-]C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)s1 ZINC001454455972 1061785177 /nfs/dbraw/zinc/78/51/77/1061785177.db2.gz IBCFXYWWMPHLDR-UHFFFAOYSA-N -1 3 385.474 3.816 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC=CC12CCCC2 ZINC001454471318 1061796665 /nfs/dbraw/zinc/79/66/65/1061796665.db2.gz WPCNYXABUNZBBB-UHFFFAOYSA-N -1 3 378.350 3.752 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001454498992 1061805170 /nfs/dbraw/zinc/80/51/70/1061805170.db2.gz ORIXDNKWQSEKMQ-OAHLLOKOSA-N -1 3 398.459 3.924 20 0 GHADHM O=C(Nc1cccc(C2CCOCC2)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001454541672 1061828250 /nfs/dbraw/zinc/82/82/50/1061828250.db2.gz YMEBKJIZWJYLAC-UHFFFAOYSA-N -1 3 384.382 3.953 20 0 GHADHM CN1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1c1ccc(F)cc1 ZINC001545813511 1062016449 /nfs/dbraw/zinc/01/64/49/1062016449.db2.gz IXFUMCPDKVJFFS-WOJBJXKFSA-N -1 3 380.419 3.565 20 0 GHADHM Cc1cccc([C@H]2CCCN2c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)c1 ZINC001346973023 1062019682 /nfs/dbraw/zinc/01/96/82/1062019682.db2.gz ARUMKIQCSLFMMC-LJQANCHMSA-N -1 3 390.491 3.809 20 0 GHADHM COc1nnc(NC(=O)C2(c3ccc(C)cc3Br)CCCCC2)[n-]1 ZINC001545818528 1062021536 /nfs/dbraw/zinc/02/15/36/1062021536.db2.gz HTHCHSBMBXEYHI-UHFFFAOYSA-N -1 3 393.285 3.725 20 0 GHADHM COc1nc(NC(=O)C2(c3ccc(C)cc3Br)CCCCC2)n[n-]1 ZINC001545818528 1062021563 /nfs/dbraw/zinc/02/15/63/1062021563.db2.gz HTHCHSBMBXEYHI-UHFFFAOYSA-N -1 3 393.285 3.725 20 0 GHADHM COc1n[n-]c(NC(=O)C2(c3ccc(C)cc3Br)CCCCC2)n1 ZINC001545818528 1062021585 /nfs/dbraw/zinc/02/15/85/1062021585.db2.gz HTHCHSBMBXEYHI-UHFFFAOYSA-N -1 3 393.285 3.725 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545858789 1062046831 /nfs/dbraw/zinc/04/68/31/1062046831.db2.gz XJEDUNGJDPQDHN-UPJWGTAASA-N -1 3 382.423 3.706 20 0 GHADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]Oc1ccccc1F ZINC001455476664 1062173486 /nfs/dbraw/zinc/17/34/86/1062173486.db2.gz TUJHPVHQNCGBBU-UHFFFAOYSA-N -1 3 378.407 3.681 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)CC3CCC(c4ccccc4)CC3)C2)n1 ZINC001347303628 1062285119 /nfs/dbraw/zinc/28/51/19/1062285119.db2.gz BHWGUJSVTOPAST-UUKMXZOPSA-N -1 3 394.519 3.550 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C[C@@H]3C[C@@H](C)c4c3cccc4C)C2)n1 ZINC001347305006 1062286523 /nfs/dbraw/zinc/28/65/23/1062286523.db2.gz ICLWMBXJIADBDU-NJAFHUGGSA-N -1 3 394.519 3.565 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nn(CC(F)F)c2ccccc12 ZINC001347664069 1062561928 /nfs/dbraw/zinc/56/19/28/1062561928.db2.gz AMZDSAJFTLTXOJ-UHFFFAOYSA-N -1 3 389.406 3.655 20 0 GHADHM Cc1ccccc1Oc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)nc1 ZINC001456334797 1062620683 /nfs/dbraw/zinc/62/06/83/1062620683.db2.gz PWPKCILODYLQTD-UHFFFAOYSA-N -1 3 380.404 3.723 20 0 GHADHM Cc1ccccc1Oc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)nc1 ZINC001456334797 1062620704 /nfs/dbraw/zinc/62/07/04/1062620704.db2.gz PWPKCILODYLQTD-UHFFFAOYSA-N -1 3 380.404 3.723 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC001347897966 1062764483 /nfs/dbraw/zinc/76/44/83/1062764483.db2.gz RXZUMXAHLCBPPZ-XFXZXTDPSA-N -1 3 379.762 3.675 20 0 GHADHM CCc1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1O ZINC001456584140 1062765759 /nfs/dbraw/zinc/76/57/59/1062765759.db2.gz FGTROPJLDJQTMJ-UHFFFAOYSA-N -1 3 387.233 3.811 20 0 GHADHM CCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)OC)cc(OC)c3[O-])no2)cc1 ZINC001456746166 1062838317 /nfs/dbraw/zinc/83/83/17/1062838317.db2.gz GCMDSORKNYWVIG-UHFFFAOYSA-N -1 3 396.399 3.657 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C(F)(F)Cc2ccccc2)[n-]n1 ZINC001456801003 1062865355 /nfs/dbraw/zinc/86/53/55/1062865355.db2.gz VPYVHZULSJZXKB-UHFFFAOYSA-N -1 3 385.370 3.583 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C(F)(F)Cc2ccccc2)n[n-]1 ZINC001456801003 1062865367 /nfs/dbraw/zinc/86/53/67/1062865367.db2.gz VPYVHZULSJZXKB-UHFFFAOYSA-N -1 3 385.370 3.583 20 0 GHADHM O=C(c1ccccc1)N1CCC[C@H](NCc2cccc([O-])c2Br)C1 ZINC001348070630 1062903919 /nfs/dbraw/zinc/90/39/19/1062903919.db2.gz GSUFZSFQSNMQIF-INIZCTEOSA-N -1 3 389.293 3.549 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)C(=O)c3ccccc3)nc21 ZINC001456992946 1062941468 /nfs/dbraw/zinc/94/14/68/1062941468.db2.gz NRSXVGIZMULODQ-CYBMUJFWSA-N -1 3 379.416 3.587 20 0 GHADHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457164803 1062995030 /nfs/dbraw/zinc/99/50/30/1062995030.db2.gz HUUBUTJOVQVJGQ-CJNGLKHVSA-N -1 3 376.526 3.921 20 0 GHADHM CC[C@H](C)CC[C@H](O)CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457164800 1062995214 /nfs/dbraw/zinc/99/52/14/1062995214.db2.gz HUUBUTJOVQVJGQ-BBRMVZONSA-N -1 3 376.526 3.921 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccccc1NCC(F)(F)F)c2=O ZINC001457558977 1063246022 /nfs/dbraw/zinc/24/60/22/1063246022.db2.gz PPQZDPXOXVMSDP-UHFFFAOYSA-N -1 3 391.349 3.763 20 0 GHADHM Cc1cc(NC(=O)c2c([O-])cc(F)cc2F)cc(N2CCN(C(C)C)CC2)c1 ZINC001457743101 1063340753 /nfs/dbraw/zinc/34/07/53/1063340753.db2.gz IBQSALAXZVFGDH-UHFFFAOYSA-N -1 3 389.446 3.762 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(-n4cccc4)ccc3Cl)c2c1=O ZINC001457887133 1063418031 /nfs/dbraw/zinc/41/80/31/1063418031.db2.gz LMKCPEAJESNGKS-UHFFFAOYSA-N -1 3 395.850 3.749 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H](CC3CCCCC3)C(C)C)CC2)n1 ZINC001349459194 1063733598 /nfs/dbraw/zinc/73/35/98/1063733598.db2.gz ITDBYYUNOLPGMS-LJQANCHMSA-N -1 3 388.556 3.818 20 0 GHADHM CCN(CC)c1nnc(CCc2cccc(Cl)c2[O-])n1Cc1cc(C)on1 ZINC001349709746 1063883115 /nfs/dbraw/zinc/88/31/15/1063883115.db2.gz FZTOOAUIAPXDFS-UHFFFAOYSA-N -1 3 389.887 3.613 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3C3CCCCC3)n2CC2CC2)cc(=O)[n-]1 ZINC001350538000 1064118310 /nfs/dbraw/zinc/11/83/10/1064118310.db2.gz PPDGNJJTTWVXAP-SFHVURJKSA-N -1 3 382.512 3.708 20 0 GHADHM COC(=O)c1c(F)cc([N-]C(=O)c2cc(-c3cccc(OC)c3)no2)cc1F ZINC001459532434 1064121614 /nfs/dbraw/zinc/12/16/14/1064121614.db2.gz QELQJTRKJFTIAY-UHFFFAOYSA-N -1 3 388.326 3.667 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cccc(C(=O)OC)c1 ZINC001460063007 1064388756 /nfs/dbraw/zinc/38/87/56/1064388756.db2.gz URSTVTJCTJOXST-UHFFFAOYSA-N -1 3 394.383 3.557 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1cccc(Br)c1F ZINC001463557098 1064457735 /nfs/dbraw/zinc/45/77/35/1064457735.db2.gz XJUDGEKMGKRZJI-UHFFFAOYSA-N -1 3 384.270 3.642 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)c1ccc(Cl)c2ccccc21 ZINC001463576349 1064473576 /nfs/dbraw/zinc/47/35/76/1064473576.db2.gz KKMHTUQLEDGLHV-GFCCVEGCSA-N -1 3 388.942 3.896 20 0 GHADHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)c1 ZINC001463576514 1064473703 /nfs/dbraw/zinc/47/37/03/1064473703.db2.gz ASXDDQXTORDWSJ-UHFFFAOYSA-N -1 3 388.301 3.785 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)C(F)F ZINC001463623925 1064507825 /nfs/dbraw/zinc/50/78/25/1064507825.db2.gz HMGMFDPHWQWRAL-UHFFFAOYSA-N -1 3 396.175 3.790 20 0 GHADHM CO[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C1CC1 ZINC001463746009 1064583699 /nfs/dbraw/zinc/58/36/99/1064583699.db2.gz IJPOJUZISSKWNP-CQSZACIVSA-N -1 3 396.734 3.504 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1F ZINC001463849271 1064668372 /nfs/dbraw/zinc/66/83/72/1064668372.db2.gz XWDYJGBBZIAQFK-CMPLNLGQSA-N -1 3 390.299 3.793 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC001463936105 1064728400 /nfs/dbraw/zinc/72/84/00/1064728400.db2.gz XICUQEYKXNILJY-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)c2ccccc2F)c(F)c1 ZINC001463980017 1064751805 /nfs/dbraw/zinc/75/18/05/1064751805.db2.gz YFVMNRABLZSIGB-MRXNPFEDSA-N -1 3 383.416 3.571 20 0 GHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC001464059051 1064793576 /nfs/dbraw/zinc/79/35/76/1064793576.db2.gz PTERMMLVPFMPAQ-UHFFFAOYSA-N -1 3 389.304 3.617 20 0 GHADHM CCC(F)(F)C(=O)[N-][C@H](CNC(=O)C(F)(F)CC)c1ccc(Cl)cc1 ZINC000847181578 1064836833 /nfs/dbraw/zinc/83/68/33/1064836833.db2.gz MWFOBTVVYQZOMB-GFCCVEGCSA-N -1 3 382.785 3.704 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)COc2ccccc2O1 ZINC001464153488 1064865914 /nfs/dbraw/zinc/86/59/14/1064865914.db2.gz YTBIBAQUZSEFFR-INIZCTEOSA-N -1 3 388.272 3.502 20 0 GHADHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2c(C)csc2C)on1 ZINC001464162509 1064878203 /nfs/dbraw/zinc/87/82/03/1064878203.db2.gz ALBICSBYGJRYJP-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001464181810 1064892456 /nfs/dbraw/zinc/89/24/56/1064892456.db2.gz YCDWOPZJHUYCHG-OAHLLOKOSA-N -1 3 397.855 3.540 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCC2)O1)c1ccc(Cl)cc1C(F)(F)F ZINC001464354448 1064968285 /nfs/dbraw/zinc/96/82/85/1064968285.db2.gz DYXFNDKIGBYKME-NSHDSACASA-N -1 3 383.819 3.739 20 0 GHADHM O=S(=O)([N-]Cc1cscc1Cl)c1cccc(Br)c1F ZINC001464543470 1065073281 /nfs/dbraw/zinc/07/32/81/1065073281.db2.gz NXUHTAZFRCUMNI-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC2(CCC2)O1)c1c2ncsc2ccc1Cl ZINC001464701394 1065165046 /nfs/dbraw/zinc/16/50/46/1065165046.db2.gz YMTDUDRMXWBIID-NSHDSACASA-N -1 3 386.926 3.720 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC001464814646 1065226517 /nfs/dbraw/zinc/22/65/17/1065226517.db2.gz DTYMUUKHGAYGEF-ZIAGYGMSSA-N -1 3 398.297 3.745 20 0 GHADHM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC001465359518 1065565681 /nfs/dbraw/zinc/56/56/81/1065565681.db2.gz RKWQFLPNFWPYBZ-WMZOPIPTSA-N -1 3 376.250 3.623 20 0 GHADHM COc1ccc(C=C(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c2cccs2)cc1 ZINC001300192399 1065622432 /nfs/dbraw/zinc/62/24/32/1065622432.db2.gz AXWVVUJXTJLKPO-QJISPJEISA-N -1 3 395.484 3.742 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000847583197 1065677330 /nfs/dbraw/zinc/67/73/30/1065677330.db2.gz YPTFFSOAEZFUIW-IEBWSBKVSA-N -1 3 381.476 3.568 20 0 GHADHM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc(SC)ccc3[O-])ccc2NC1=O ZINC001465527801 1065689822 /nfs/dbraw/zinc/68/98/22/1065689822.db2.gz CRNKGTYAGWLUKK-APPDUMDISA-N -1 3 386.473 3.715 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC001465795664 1065861897 /nfs/dbraw/zinc/86/18/97/1065861897.db2.gz KCIYYHKSAKAIMG-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001465957045 1065937043 /nfs/dbraw/zinc/93/70/43/1065937043.db2.gz WTRKUTKVMKTCAJ-UHFFFAOYSA-N -1 3 381.176 3.844 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001466137818 1065993532 /nfs/dbraw/zinc/99/35/32/1065993532.db2.gz MZNBMKPBIKYVOE-HRAATJIYSA-N -1 3 378.513 3.852 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001466595321 1066202913 /nfs/dbraw/zinc/20/29/13/1066202913.db2.gz PFDKKFXUNUWSIV-UHFFFAOYSA-N -1 3 386.398 3.866 20 0 GHADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1(C)C ZINC001466742729 1066288823 /nfs/dbraw/zinc/28/88/23/1066288823.db2.gz RIGHVNTZWVRPKR-NSHDSACASA-N -1 3 377.282 3.799 20 0 GHADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(I)cc1[O-] ZINC001466817538 1066334618 /nfs/dbraw/zinc/33/46/18/1066334618.db2.gz HGZKRVJAWXFCLZ-UHFFFAOYSA-N -1 3 392.196 3.659 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1n[nH]cc1C(F)(F)F ZINC001466978265 1066424571 /nfs/dbraw/zinc/42/45/71/1066424571.db2.gz IMNRFPSNLKCUEL-UHFFFAOYSA-N -1 3 391.737 3.992 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000849231025 1067770750 /nfs/dbraw/zinc/77/07/50/1067770750.db2.gz RGBMKNWENFODOS-ROUUACIJSA-N -1 3 395.377 3.789 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@]1(C)CCCC[C@H]1C ZINC001468742343 1067856427 /nfs/dbraw/zinc/85/64/27/1067856427.db2.gz WORACEFHBVVBHS-MCMMXHMISA-N -1 3 395.459 3.691 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC001468753245 1067860845 /nfs/dbraw/zinc/86/08/45/1067860845.db2.gz QGBHRUHRRIDPPY-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC001468753245 1067860852 /nfs/dbraw/zinc/86/08/52/1067860852.db2.gz QGBHRUHRRIDPPY-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM CCc1cccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1[O-] ZINC001469336961 1068111849 /nfs/dbraw/zinc/11/18/49/1068111849.db2.gz FNNFVPLRYXLEFX-RBSFLKMASA-N -1 3 376.497 3.813 20 0 GHADHM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001469422605 1068156818 /nfs/dbraw/zinc/15/68/18/1068156818.db2.gz NCCKHHNFZJPYFW-DOMZBBRYSA-N -1 3 391.493 3.650 20 0 GHADHM COC(=O)[C@]12CN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C[C@H]1CCCC2 ZINC001469634712 1068273869 /nfs/dbraw/zinc/27/38/69/1068273869.db2.gz WLHLAGWEONVQAB-NTKDMRAZSA-N -1 3 393.483 3.788 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2csc(-c3ccccc3Cl)n2)n1 ZINC001469697810 1068318035 /nfs/dbraw/zinc/31/80/35/1068318035.db2.gz GWJAWZFUIXOAHE-UHFFFAOYSA-N -1 3 388.880 3.933 20 0 GHADHM O=C(Nc1cccc(Br)c1F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001470626849 1072655301 /nfs/dbraw/zinc/65/53/01/1072655301.db2.gz SLRHHVRLDREVAW-UHFFFAOYSA-N -1 3 397.150 3.960 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001471677755 1073175148 /nfs/dbraw/zinc/17/51/48/1073175148.db2.gz PQKYLAPWVAOIBG-UHFFFAOYSA-N -1 3 393.487 3.908 20 0 GHADHM O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001471901494 1073252851 /nfs/dbraw/zinc/25/28/51/1073252851.db2.gz ZXMXPIPTNHQQIA-OAQYLSRUSA-N -1 3 393.458 3.650 20 0 GHADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001471926096 1073263585 /nfs/dbraw/zinc/26/35/85/1073263585.db2.gz JQXOFROONASFLF-VXGBXAGGSA-N -1 3 377.282 3.799 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109609 1073336487 /nfs/dbraw/zinc/33/64/87/1073336487.db2.gz RXOWXPIZYIGZBA-SNVBAGLBSA-N -1 3 380.395 3.946 20 0 GHADHM CCc1nc2ccccc2c(C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])c1C ZINC001472228003 1073376597 /nfs/dbraw/zinc/37/65/97/1073376597.db2.gz ACQUQNRZMWKISV-UHFFFAOYSA-N -1 3 394.427 3.859 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cccc4ncn(C)c43)n[n-]2)cc1 ZINC001472357165 1073442898 /nfs/dbraw/zinc/44/28/98/1073442898.db2.gz GPTZWLQFMFFGDW-UHFFFAOYSA-N -1 3 378.461 3.544 20 0 GHADHM CCc1ccc(C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001472365758 1073446581 /nfs/dbraw/zinc/44/65/81/1073446581.db2.gz PXHKVIOCBIBFCF-UHFFFAOYSA-N -1 3 376.497 3.816 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C3=Cc4ccccc4O[C@H]3C(F)(F)F)n[n-]2)o1 ZINC001472527048 1073532761 /nfs/dbraw/zinc/53/27/61/1073532761.db2.gz ZEFYQTGBCSJJPW-CQSZACIVSA-N -1 3 390.321 3.719 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C)n(-c3ccc(C)cc3)n1)c2=O ZINC001472536721 1073538706 /nfs/dbraw/zinc/53/87/06/1073538706.db2.gz MVXXPUNCNCYZRK-UHFFFAOYSA-N -1 3 388.427 3.592 20 0 GHADHM O=C(Nc1cc(-c2ccccc2F)on1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001472552056 1073547910 /nfs/dbraw/zinc/54/79/10/1073547910.db2.gz IOMFHLXLHRIMRY-UHFFFAOYSA-N -1 3 385.301 3.853 20 0 GHADHM Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001546225370 1079191250 /nfs/dbraw/zinc/19/12/50/1079191250.db2.gz JXHBYHVKUSTWHO-OAHLLOKOSA-N -1 3 397.475 3.730 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC001473471172 1073981291 /nfs/dbraw/zinc/98/12/91/1073981291.db2.gz AJODCELWXWSQRS-UHFFFAOYSA-N -1 3 376.460 3.621 20 0 GHADHM COc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cn1 ZINC001473636271 1074060847 /nfs/dbraw/zinc/06/08/47/1074060847.db2.gz RSCRASXCRUTXFS-UHFFFAOYSA-N -1 3 382.445 3.693 20 0 GHADHM Cc1ccc(N2CCC[C@@H](NCc3cccc([O-])c3Br)C2=O)cc1 ZINC001474026848 1074240679 /nfs/dbraw/zinc/24/06/79/1074240679.db2.gz NXHHNPSUYWVJDN-MRXNPFEDSA-N -1 3 389.293 3.748 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(Cl)c1[O-] ZINC001474367480 1074366281 /nfs/dbraw/zinc/36/62/81/1074366281.db2.gz CNLKGOBNXNJTTQ-ZDUSSCGKSA-N -1 3 384.904 3.886 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1cc(Br)ccc1F ZINC001474805097 1074571240 /nfs/dbraw/zinc/57/12/40/1074571240.db2.gz MCPKHTNNIMONIZ-UHFFFAOYSA-N -1 3 398.297 3.988 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(O[C@H](C)CC(C)C)c2)c(F)c1F ZINC001474975247 1074662243 /nfs/dbraw/zinc/66/22/43/1074662243.db2.gz KFCXKCPVYHCEJY-CQSZACIVSA-N -1 3 398.475 3.960 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Br)cc2C)cc1F ZINC001474975958 1074662578 /nfs/dbraw/zinc/66/25/78/1074662578.db2.gz RFAODZYPFFXVCF-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001475109268 1074740447 /nfs/dbraw/zinc/74/04/47/1074740447.db2.gz BMZJJESEHHLRJX-ZDUSSCGKSA-N -1 3 382.894 3.616 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1F ZINC001475212849 1074788665 /nfs/dbraw/zinc/78/86/65/1074788665.db2.gz BKNGJBPEJJFVNC-UHFFFAOYSA-N -1 3 389.370 3.778 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC001475245206 1074802498 /nfs/dbraw/zinc/80/24/98/1074802498.db2.gz LBGIRAMWSIRTPI-ZUZCIYMTSA-N -1 3 375.799 3.900 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cccnc1Oc1ccc(F)cc1 ZINC001475255414 1074807274 /nfs/dbraw/zinc/80/72/74/1074807274.db2.gz XPWDLIIXSUYRKI-LBPRGKRZSA-N -1 3 386.395 3.727 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC001475369962 1074851826 /nfs/dbraw/zinc/85/18/26/1074851826.db2.gz WNUOFCZROSJVDV-VIFPVBQESA-N -1 3 382.295 3.700 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001475391650 1074858907 /nfs/dbraw/zinc/85/89/07/1074858907.db2.gz NEIPTKUBYGKNGD-LSDHHAIUSA-N -1 3 385.501 3.806 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC001475420419 1074867574 /nfs/dbraw/zinc/86/75/74/1074867574.db2.gz JRYWDVJVKVKPTJ-SSDOTTSWSA-N -1 3 381.342 3.569 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCC1)c1ccc(Br)cc1C(F)(F)F ZINC001475435309 1074874413 /nfs/dbraw/zinc/87/44/13/1074874413.db2.gz MLQNKPJNEAUJDO-CMPLNLGQSA-N -1 3 398.244 3.935 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1Cl)c1cccc(Cl)c1F ZINC001475514801 1074901981 /nfs/dbraw/zinc/90/19/81/1074901981.db2.gz ZQFHLRXEXVJBKV-LLVKDONJSA-N -1 3 398.670 3.798 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC(F)CC1 ZINC001475537348 1074908130 /nfs/dbraw/zinc/90/81/30/1074908130.db2.gz RWRGWLULIOAXOV-IDKOKCKLSA-N -1 3 399.713 3.693 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@]12C[C@H]1CCCC2 ZINC001475576060 1074918242 /nfs/dbraw/zinc/91/82/42/1074918242.db2.gz XTCPFMMQCOHNKA-RWSFTLGLSA-N -1 3 376.291 3.835 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001475583085 1074920370 /nfs/dbraw/zinc/92/03/70/1074920370.db2.gz LOZYEMHYIXLHND-KSSFIOAISA-N -1 3 396.915 3.668 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc2ccccc2s1 ZINC001475599333 1074924203 /nfs/dbraw/zinc/92/42/03/1074924203.db2.gz VPYFAZNIBLHDEG-UHFFFAOYSA-N -1 3 383.853 3.855 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ncccc12)c1csc(-c2ccccc2)n1 ZINC001475657621 1074994318 /nfs/dbraw/zinc/99/43/18/1074994318.db2.gz SAJZBJWWBQRYGB-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@H]1OCCc2ccccc21 ZINC001475721349 1075008557 /nfs/dbraw/zinc/00/85/57/1075008557.db2.gz XRCIEBAKYFXNBU-GOSISDBHSA-N -1 3 389.448 3.863 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSC2(CCC2)C1)c1cccc(Br)c1F ZINC001475750638 1075014516 /nfs/dbraw/zinc/01/45/16/1075014516.db2.gz LVTHHLZCTHCPFI-SNVBAGLBSA-N -1 3 394.331 3.685 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1C1CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001475798617 1075023910 /nfs/dbraw/zinc/02/39/10/1075023910.db2.gz LWNBOPVWRUOHAQ-MNOVXSKESA-N -1 3 382.835 3.858 20 0 GHADHM CSCCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737183469 598836035 /nfs/dbraw/zinc/83/60/35/598836035.db2.gz XEPGBHFPQSQNTJ-UHFFFAOYSA-N -1 3 387.534 3.745 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc(Cl)nc1 ZINC000738112648 598836577 /nfs/dbraw/zinc/83/65/77/598836577.db2.gz QIYNRLQZFHGAPB-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cc(Cl)ccn1 ZINC000738111768 598836899 /nfs/dbraw/zinc/83/68/99/598836899.db2.gz KMOYVXMGMSWUSI-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737305399 598838894 /nfs/dbraw/zinc/83/88/94/598838894.db2.gz IFESMGMGUYSZCU-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737305399 598838895 /nfs/dbraw/zinc/83/88/95/598838895.db2.gz IFESMGMGUYSZCU-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000736901348 598858425 /nfs/dbraw/zinc/85/84/25/598858425.db2.gz JWMMWYIVJAFDSD-IBGZPJMESA-N -1 3 393.491 3.510 20 0 GHADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000736901348 598858426 /nfs/dbraw/zinc/85/84/26/598858426.db2.gz JWMMWYIVJAFDSD-IBGZPJMESA-N -1 3 393.491 3.510 20 0 GHADHM COCCCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000736987031 598860978 /nfs/dbraw/zinc/86/09/78/598860978.db2.gz ALDXUZCCNQJYDP-UHFFFAOYSA-N -1 3 399.398 3.978 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCCC1 ZINC000736118972 598879639 /nfs/dbraw/zinc/87/96/39/598879639.db2.gz WQHAZSSZTWQTPD-ZDUSSCGKSA-N -1 3 393.451 3.754 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCCC1 ZINC000736118972 598879640 /nfs/dbraw/zinc/87/96/40/598879640.db2.gz WQHAZSSZTWQTPD-ZDUSSCGKSA-N -1 3 393.451 3.754 20 0 GHADHM O=C(NCc1ccccc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738115378 598889199 /nfs/dbraw/zinc/88/91/99/598889199.db2.gz CEEJXTAXACZJSS-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736350361 598903389 /nfs/dbraw/zinc/90/33/89/598903389.db2.gz MHOCYDMFNDHPOH-INIZCTEOSA-N -1 3 387.553 3.823 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736350361 598903391 /nfs/dbraw/zinc/90/33/91/598903391.db2.gz MHOCYDMFNDHPOH-INIZCTEOSA-N -1 3 387.553 3.823 20 0 GHADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000736353347 598907255 /nfs/dbraw/zinc/90/72/55/598907255.db2.gz WVVKJNIVMSKLRG-ZYHUDNBSSA-N -1 3 391.884 3.616 20 0 GHADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000736353347 598907257 /nfs/dbraw/zinc/90/72/57/598907257.db2.gz WVVKJNIVMSKLRG-ZYHUDNBSSA-N -1 3 391.884 3.616 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737191619 598911657 /nfs/dbraw/zinc/91/16/57/598911657.db2.gz PQFBCRLPCFBSHY-SNVBAGLBSA-N -1 3 389.506 3.673 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737191619 598911659 /nfs/dbraw/zinc/91/16/59/598911659.db2.gz PQFBCRLPCFBSHY-SNVBAGLBSA-N -1 3 389.506 3.673 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737023149 598911769 /nfs/dbraw/zinc/91/17/69/598911769.db2.gz CGONNXKZRYWBCS-IRXDYDNUSA-N -1 3 378.432 3.708 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737023149 598911770 /nfs/dbraw/zinc/91/17/70/598911770.db2.gz CGONNXKZRYWBCS-IRXDYDNUSA-N -1 3 378.432 3.708 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736399549 598926020 /nfs/dbraw/zinc/92/60/20/598926020.db2.gz IDCGJMLEAXEVJR-GOSISDBHSA-N -1 3 391.475 3.850 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736399549 598926021 /nfs/dbraw/zinc/92/60/21/598926021.db2.gz IDCGJMLEAXEVJR-GOSISDBHSA-N -1 3 391.475 3.850 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736313778 598927760 /nfs/dbraw/zinc/92/77/60/598927760.db2.gz JTOMFNHYBYUFBT-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736313778 598927761 /nfs/dbraw/zinc/92/77/61/598927761.db2.gz JTOMFNHYBYUFBT-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736343040 598927790 /nfs/dbraw/zinc/92/77/90/598927790.db2.gz WVESOATWUCZJED-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736343040 598927791 /nfs/dbraw/zinc/92/77/91/598927791.db2.gz WVESOATWUCZJED-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC000737302924 598947911 /nfs/dbraw/zinc/94/79/11/598947911.db2.gz DUWMFDVHNJYWBB-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC000737302924 598947912 /nfs/dbraw/zinc/94/79/12/598947912.db2.gz DUWMFDVHNJYWBB-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM O=C1[C@H](Nc2ccc(-c3ccccc3)cc2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738298757 598960402 /nfs/dbraw/zinc/96/04/02/598960402.db2.gz XTQWHWXZKQSPBF-OAQYLSRUSA-N -1 3 396.454 3.751 20 0 GHADHM O=C1[C@H](Nc2ccc(-c3ccccc3)cc2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738298757 598960404 /nfs/dbraw/zinc/96/04/04/598960404.db2.gz XTQWHWXZKQSPBF-OAQYLSRUSA-N -1 3 396.454 3.751 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737427556 598966997 /nfs/dbraw/zinc/96/69/97/598966997.db2.gz SMICQZFZNNRVQT-GOSISDBHSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737427556 598966999 /nfs/dbraw/zinc/96/69/99/598966999.db2.gz SMICQZFZNNRVQT-GOSISDBHSA-N -1 3 376.464 3.723 20 0 GHADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1CCc2ccccc21 ZINC000738267703 598980123 /nfs/dbraw/zinc/98/01/23/598980123.db2.gz LOZLEGIXVUENHQ-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1CCc2ccccc21 ZINC000738267703 598980124 /nfs/dbraw/zinc/98/01/24/598980124.db2.gz LOZLEGIXVUENHQ-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM Clc1cc(NC[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822567406 607256192 /nfs/dbraw/zinc/25/61/92/607256192.db2.gz AQGAFWDLNVTWPI-HNNXBMFYSA-N -1 3 399.882 3.938 20 0 GHADHM Clc1cc(NC[C@@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822567406 607256193 /nfs/dbraw/zinc/25/61/93/607256193.db2.gz AQGAFWDLNVTWPI-HNNXBMFYSA-N -1 3 399.882 3.938 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738045468 598999932 /nfs/dbraw/zinc/99/99/32/598999932.db2.gz PVNWMVWVNWXQBE-INIZCTEOSA-N -1 3 389.459 3.532 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738045468 598999933 /nfs/dbraw/zinc/99/99/33/598999933.db2.gz PVNWMVWVNWXQBE-INIZCTEOSA-N -1 3 389.459 3.532 20 0 GHADHM C[C@H]1CCC[C@@H](CCNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253988 599016611 /nfs/dbraw/zinc/01/66/11/599016611.db2.gz XDQKBACFBQSZII-IRXDYDNUSA-N -1 3 385.512 3.748 20 0 GHADHM C[C@H]1CCC[C@@H](CCNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253988 599016613 /nfs/dbraw/zinc/01/66/13/599016613.db2.gz XDQKBACFBQSZII-IRXDYDNUSA-N -1 3 385.512 3.748 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000737389571 599019115 /nfs/dbraw/zinc/01/91/15/599019115.db2.gz PPVUKXAIUUQQJU-OXQOHEQNSA-N -1 3 393.491 3.764 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000737389571 599019117 /nfs/dbraw/zinc/01/91/17/599019117.db2.gz PPVUKXAIUUQQJU-OXQOHEQNSA-N -1 3 393.491 3.764 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000736228972 599020880 /nfs/dbraw/zinc/02/08/80/599020880.db2.gz PEZRPWVVYRWFIC-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000736228972 599020882 /nfs/dbraw/zinc/02/08/82/599020882.db2.gz PEZRPWVVYRWFIC-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc3ccc(C)nc32)c1-c1nnn[n-]1 ZINC000736676436 599036405 /nfs/dbraw/zinc/03/64/05/599036405.db2.gz UZJFDOURZFDZCR-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc3ccc(C)nc32)c1-c1nn[n-]n1 ZINC000736676436 599036408 /nfs/dbraw/zinc/03/64/08/599036408.db2.gz UZJFDOURZFDZCR-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM Fc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737648387 599040139 /nfs/dbraw/zinc/04/01/39/599040139.db2.gz JCWVOWWRQKGQAH-UHFFFAOYSA-N -1 3 378.333 3.589 20 0 GHADHM Fc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737648387 599040141 /nfs/dbraw/zinc/04/01/41/599040141.db2.gz JCWVOWWRQKGQAH-UHFFFAOYSA-N -1 3 378.333 3.589 20 0 GHADHM FC(F)(F)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737635667 599043277 /nfs/dbraw/zinc/04/32/77/599043277.db2.gz LWVUBUAGIAULHU-UHFFFAOYSA-N -1 3 388.275 3.911 20 0 GHADHM FC(F)(F)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737635667 599043278 /nfs/dbraw/zinc/04/32/78/599043278.db2.gz LWVUBUAGIAULHU-UHFFFAOYSA-N -1 3 388.275 3.911 20 0 GHADHM CC(C)c1nc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cs1 ZINC000735939055 599051141 /nfs/dbraw/zinc/05/11/41/599051141.db2.gz HNNPCQHSEGBJDI-UHFFFAOYSA-N -1 3 383.403 3.515 20 0 GHADHM CC(C)c1nc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cs1 ZINC000735939055 599051144 /nfs/dbraw/zinc/05/11/44/599051144.db2.gz HNNPCQHSEGBJDI-UHFFFAOYSA-N -1 3 383.403 3.515 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819940132 599052022 /nfs/dbraw/zinc/05/20/22/599052022.db2.gz PTPWETFUILYFTR-WFASDCNBSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819940132 599052023 /nfs/dbraw/zinc/05/20/23/599052023.db2.gz PTPWETFUILYFTR-WFASDCNBSA-N -1 3 390.463 3.501 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000822753190 599053955 /nfs/dbraw/zinc/05/39/55/599053955.db2.gz IEOGICGCRJLMRF-KRWDZBQOSA-N -1 3 393.401 3.877 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000822753190 599053957 /nfs/dbraw/zinc/05/39/57/599053957.db2.gz IEOGICGCRJLMRF-KRWDZBQOSA-N -1 3 393.401 3.877 20 0 GHADHM Fc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737648125 599057706 /nfs/dbraw/zinc/05/77/06/599057706.db2.gz HRCJANCLFJXGKX-ZDUSSCGKSA-N -1 3 396.323 3.900 20 0 GHADHM Fc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737648125 599057709 /nfs/dbraw/zinc/05/77/09/599057709.db2.gz HRCJANCLFJXGKX-ZDUSSCGKSA-N -1 3 396.323 3.900 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000735558846 599069730 /nfs/dbraw/zinc/06/97/30/599069730.db2.gz GLJNURJAHGMCDM-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000735558846 599069733 /nfs/dbraw/zinc/06/97/33/599069733.db2.gz GLJNURJAHGMCDM-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@H](COCc1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820286412 599080555 /nfs/dbraw/zinc/08/05/55/599080555.db2.gz AYSADVIRWVZSCU-GFCCVEGCSA-N -1 3 396.401 3.710 20 0 GHADHM C[C@H](COCc1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820286412 599080558 /nfs/dbraw/zinc/08/05/58/599080558.db2.gz AYSADVIRWVZSCU-GFCCVEGCSA-N -1 3 396.401 3.710 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737329511 599082272 /nfs/dbraw/zinc/08/22/72/599082272.db2.gz KHDSLSXHRPMQET-APWZRJJASA-N -1 3 391.475 3.696 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737329511 599082274 /nfs/dbraw/zinc/08/22/74/599082274.db2.gz KHDSLSXHRPMQET-APWZRJJASA-N -1 3 391.475 3.696 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737331609 599083069 /nfs/dbraw/zinc/08/30/69/599083069.db2.gz QCLUUROJASFTIY-OXJNMPFZSA-N -1 3 391.475 3.696 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000736166506 599083747 /nfs/dbraw/zinc/08/37/47/599083747.db2.gz BCEWTUBNNUGURG-HNNXBMFYSA-N -1 3 395.463 3.589 20 0 GHADHM CC1(C)CCC(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000736211952 599083925 /nfs/dbraw/zinc/08/39/25/599083925.db2.gz SKBKFLLNAJPTIY-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CC1(C)CCC(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000736211952 599083928 /nfs/dbraw/zinc/08/39/28/599083928.db2.gz SKBKFLLNAJPTIY-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689457 599084890 /nfs/dbraw/zinc/08/48/90/599084890.db2.gz WUWHRVCHMMIZHE-KSSFIOAISA-N -1 3 395.463 3.543 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236185 599091160 /nfs/dbraw/zinc/09/11/60/599091160.db2.gz RCJLMMPNFHYEOR-GUXCAODWSA-N -1 3 375.476 3.592 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236185 599091163 /nfs/dbraw/zinc/09/11/63/599091163.db2.gz RCJLMMPNFHYEOR-GUXCAODWSA-N -1 3 375.476 3.592 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738160161 599088944 /nfs/dbraw/zinc/08/89/44/599088944.db2.gz UDSPZVRWOFTVID-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738160161 599088946 /nfs/dbraw/zinc/08/89/46/599088946.db2.gz UDSPZVRWOFTVID-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM Fc1cccc(F)c1-c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000737639240 599102372 /nfs/dbraw/zinc/10/23/72/599102372.db2.gz NELQVRPQSFGULY-UHFFFAOYSA-N -1 3 385.349 3.834 20 0 GHADHM Fc1cccc(F)c1-c1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000737639240 599102373 /nfs/dbraw/zinc/10/23/73/599102373.db2.gz NELQVRPQSFGULY-UHFFFAOYSA-N -1 3 385.349 3.834 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113006 599103101 /nfs/dbraw/zinc/10/31/01/599103101.db2.gz VZZJYSJDLWUDDM-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113006 599103102 /nfs/dbraw/zinc/10/31/02/599103102.db2.gz VZZJYSJDLWUDDM-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cccc2cc[nH]c21 ZINC000823355474 599142971 /nfs/dbraw/zinc/14/29/71/599142971.db2.gz CYOPOTRAEGHLGB-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccc2cc[nH]c21 ZINC000823355474 599142973 /nfs/dbraw/zinc/14/29/73/599142973.db2.gz CYOPOTRAEGHLGB-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000737291492 599146253 /nfs/dbraw/zinc/14/62/53/599146253.db2.gz MZVPZTVASVRDSA-AWEZNQCLSA-N -1 3 376.342 3.600 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000737291492 599146255 /nfs/dbraw/zinc/14/62/55/599146255.db2.gz MZVPZTVASVRDSA-AWEZNQCLSA-N -1 3 376.342 3.600 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CC1CCC1 ZINC000822212045 599151283 /nfs/dbraw/zinc/15/12/83/599151283.db2.gz ZWCRJWKSBOEYES-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CC1CCC1 ZINC000822212045 599151285 /nfs/dbraw/zinc/15/12/85/599151285.db2.gz ZWCRJWKSBOEYES-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM O=C(CC1CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822940768 599151493 /nfs/dbraw/zinc/15/14/93/599151493.db2.gz DJLNWHDUIBKIFG-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(CC1CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822940768 599151494 /nfs/dbraw/zinc/15/14/94/599151494.db2.gz DJLNWHDUIBKIFG-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(OC)cc1 ZINC000736389209 599169607 /nfs/dbraw/zinc/16/96/07/599169607.db2.gz BTKFISHLCUMMAF-HNNXBMFYSA-N -1 3 387.440 3.524 20 0 GHADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(OC)cc1 ZINC000736389209 599169608 /nfs/dbraw/zinc/16/96/08/599169608.db2.gz BTKFISHLCUMMAF-HNNXBMFYSA-N -1 3 387.440 3.524 20 0 GHADHM C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1Cl ZINC000819867036 599170689 /nfs/dbraw/zinc/17/06/89/599170689.db2.gz QGHJLEUVKAXTGQ-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1Cl ZINC000819867036 599170691 /nfs/dbraw/zinc/17/06/91/599170691.db2.gz QGHJLEUVKAXTGQ-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM Cc1nc(S[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)sc1C ZINC000737484674 599173915 /nfs/dbraw/zinc/17/39/15/599173915.db2.gz VWQMFUKLTOEGRP-SECBINFHSA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc(S[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)sc1C ZINC000737484674 599173918 /nfs/dbraw/zinc/17/39/18/599173918.db2.gz VWQMFUKLTOEGRP-SECBINFHSA-N -1 3 394.913 3.713 20 0 GHADHM Fc1ccc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000737649515 599177242 /nfs/dbraw/zinc/17/72/42/599177242.db2.gz OXFIDTFHBAYJMQ-QGZVFWFLSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1ccc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000737649515 599177244 /nfs/dbraw/zinc/17/72/44/599177244.db2.gz OXFIDTFHBAYJMQ-QGZVFWFLSA-N -1 3 389.887 3.949 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccc(F)c1 ZINC000735569830 599177694 /nfs/dbraw/zinc/17/76/94/599177694.db2.gz IQIXZTCVVVNUJZ-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccc(F)c1 ZINC000735569830 599177696 /nfs/dbraw/zinc/17/76/96/599177696.db2.gz IQIXZTCVVVNUJZ-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737304840 599180280 /nfs/dbraw/zinc/18/02/80/599180280.db2.gz AVBFGMBETMEQDN-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737304840 599180281 /nfs/dbraw/zinc/18/02/81/599180281.db2.gz AVBFGMBETMEQDN-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000821949072 599185775 /nfs/dbraw/zinc/18/57/75/599185775.db2.gz FJPCYICKTAGZEJ-QAPCUYQASA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821949072 599185778 /nfs/dbraw/zinc/18/57/78/599185778.db2.gz FJPCYICKTAGZEJ-QAPCUYQASA-N -1 3 395.488 3.673 20 0 GHADHM CCN(C(=O)c1cc2cccc(F)c2o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505754 599182858 /nfs/dbraw/zinc/18/28/58/599182858.db2.gz MJHPWRPZABJTRU-GFCCVEGCSA-N -1 3 379.395 3.975 20 0 GHADHM CCN(C(=O)c1cc2cccc(F)c2o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505754 599182860 /nfs/dbraw/zinc/18/28/60/599182860.db2.gz MJHPWRPZABJTRU-GFCCVEGCSA-N -1 3 379.395 3.975 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737805870 599188030 /nfs/dbraw/zinc/18/80/30/599188030.db2.gz DECWWFQSMWRRMS-LJQANCHMSA-N -1 3 384.443 3.617 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737805870 599188032 /nfs/dbraw/zinc/18/80/32/599188032.db2.gz DECWWFQSMWRRMS-LJQANCHMSA-N -1 3 384.443 3.617 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666542 599190568 /nfs/dbraw/zinc/19/05/68/599190568.db2.gz IIXIRDUBBSXSRB-SCLBCKFNSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666542 599190570 /nfs/dbraw/zinc/19/05/70/599190570.db2.gz IIXIRDUBBSXSRB-SCLBCKFNSA-N -1 3 397.479 3.708 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1Cc2ccccc21 ZINC000738182289 599190073 /nfs/dbraw/zinc/19/00/73/599190073.db2.gz BTKKMQWQCXJESF-FQEVSTJZSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1Cc2ccccc21 ZINC000738182289 599190076 /nfs/dbraw/zinc/19/00/76/599190076.db2.gz BTKKMQWQCXJESF-FQEVSTJZSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000737955064 599198330 /nfs/dbraw/zinc/19/83/30/599198330.db2.gz XDFKDFWOWLPQKM-UHFFFAOYSA-N -1 3 395.894 3.544 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000737955064 599198331 /nfs/dbraw/zinc/19/83/31/599198331.db2.gz XDFKDFWOWLPQKM-UHFFFAOYSA-N -1 3 395.894 3.544 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000820529147 599201291 /nfs/dbraw/zinc/20/12/91/599201291.db2.gz PHSUDEWIIXYQPR-MRXNPFEDSA-N -1 3 383.496 3.597 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820951282 599201749 /nfs/dbraw/zinc/20/17/49/599201749.db2.gz XKTAYZHCPCJJQZ-OAQYLSRUSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820951282 599201750 /nfs/dbraw/zinc/20/17/50/599201750.db2.gz XKTAYZHCPCJJQZ-OAQYLSRUSA-N -1 3 395.463 3.691 20 0 GHADHM CC(C)OCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735895737 599208929 /nfs/dbraw/zinc/20/89/29/599208929.db2.gz GATMDPRIGPOREA-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CC(C)OCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735895737 599208931 /nfs/dbraw/zinc/20/89/31/599208931.db2.gz GATMDPRIGPOREA-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CC[C@H](C)C(=O)OCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736319591 599214412 /nfs/dbraw/zinc/21/44/12/599214412.db2.gz NDAWVDZNAXPBTL-AWEZNQCLSA-N -1 3 396.447 3.544 20 0 GHADHM CC[C@H](C)C(=O)OCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736319591 599214415 /nfs/dbraw/zinc/21/44/15/599214415.db2.gz NDAWVDZNAXPBTL-AWEZNQCLSA-N -1 3 396.447 3.544 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000737293070 599219002 /nfs/dbraw/zinc/21/90/02/599219002.db2.gz ZVTGWUQNRRNBQX-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000737293070 599219004 /nfs/dbraw/zinc/21/90/04/599219004.db2.gz ZVTGWUQNRRNBQX-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000737944211 599225151 /nfs/dbraw/zinc/22/51/51/599225151.db2.gz XOBHCYSRAQZWNY-SFHVURJKSA-N -1 3 379.489 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000737944211 599225153 /nfs/dbraw/zinc/22/51/53/599225153.db2.gz XOBHCYSRAQZWNY-SFHVURJKSA-N -1 3 379.489 3.616 20 0 GHADHM O=C(NCCSc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439098 607833750 /nfs/dbraw/zinc/83/37/50/607833750.db2.gz FCZZTAMNDDQPHS-UHFFFAOYSA-N -1 3 394.287 3.696 20 0 GHADHM O=C(NCCSc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439098 607833751 /nfs/dbraw/zinc/83/37/51/607833751.db2.gz FCZZTAMNDDQPHS-UHFFFAOYSA-N -1 3 394.287 3.696 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821446839 599231260 /nfs/dbraw/zinc/23/12/60/599231260.db2.gz DKTMKZMPLORUDF-RYUDHWBXSA-N -1 3 396.973 3.823 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821446839 599231263 /nfs/dbraw/zinc/23/12/63/599231263.db2.gz DKTMKZMPLORUDF-RYUDHWBXSA-N -1 3 396.973 3.823 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738010724 599232145 /nfs/dbraw/zinc/23/21/45/599232145.db2.gz IHMZMGAORPFNKK-UHFFFAOYSA-N -1 3 387.365 3.695 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738010724 599232148 /nfs/dbraw/zinc/23/21/48/599232148.db2.gz IHMZMGAORPFNKK-UHFFFAOYSA-N -1 3 387.365 3.695 20 0 GHADHM Cc1ccccc1-c1csc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822345155 607263074 /nfs/dbraw/zinc/26/30/74/607263074.db2.gz GLMXEAPNGUHBOC-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ccccc1-c1csc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822345155 607263075 /nfs/dbraw/zinc/26/30/75/607263075.db2.gz GLMXEAPNGUHBOC-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000822254365 607265615 /nfs/dbraw/zinc/26/56/15/607265615.db2.gz HVLMSRYHKYJINM-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000822254365 607265616 /nfs/dbraw/zinc/26/56/16/607265616.db2.gz HVLMSRYHKYJINM-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000735874831 599247952 /nfs/dbraw/zinc/24/79/52/599247952.db2.gz UPPOUBJOVZWKPD-UHFFFAOYSA-N -1 3 379.395 3.803 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000735874831 599247954 /nfs/dbraw/zinc/24/79/54/599247954.db2.gz UPPOUBJOVZWKPD-UHFFFAOYSA-N -1 3 379.395 3.803 20 0 GHADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000821422177 599249666 /nfs/dbraw/zinc/24/96/66/599249666.db2.gz RDVQDFJMUGNHNH-CYBMUJFWSA-N -1 3 396.451 3.547 20 0 GHADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000821422177 599249668 /nfs/dbraw/zinc/24/96/68/599249668.db2.gz RDVQDFJMUGNHNH-CYBMUJFWSA-N -1 3 396.451 3.547 20 0 GHADHM Cc1csc([C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)n1 ZINC000822408964 599250402 /nfs/dbraw/zinc/25/04/02/599250402.db2.gz KKZDPISEEIKIKY-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1csc([C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)n1 ZINC000822408964 599250404 /nfs/dbraw/zinc/25/04/04/599250404.db2.gz KKZDPISEEIKIKY-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(CC(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822104829 607280855 /nfs/dbraw/zinc/28/08/55/607280855.db2.gz QXQAMABKZYTPJR-UHFFFAOYSA-N -1 3 376.342 3.924 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(CC(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822104829 607280856 /nfs/dbraw/zinc/28/08/56/607280856.db2.gz QXQAMABKZYTPJR-UHFFFAOYSA-N -1 3 376.342 3.924 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822084358 607288243 /nfs/dbraw/zinc/28/82/43/607288243.db2.gz KFNROTBAHXPEGV-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822084358 607288244 /nfs/dbraw/zinc/28/82/44/607288244.db2.gz KFNROTBAHXPEGV-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM COc1cccc(C2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)c1 ZINC000821863741 607288841 /nfs/dbraw/zinc/28/88/41/607288841.db2.gz OAQXPRLFCHGRAB-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM COc1cccc(C2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)c1 ZINC000821863741 607288842 /nfs/dbraw/zinc/28/88/42/607288842.db2.gz OAQXPRLFCHGRAB-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822090283 607288964 /nfs/dbraw/zinc/28/89/64/607288964.db2.gz JQSNWRJAAFYGOY-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822090283 607288965 /nfs/dbraw/zinc/28/89/65/607288965.db2.gz JQSNWRJAAFYGOY-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cccc1-c1nnn[n-]1 ZINC000822091101 607287145 /nfs/dbraw/zinc/28/71/45/607287145.db2.gz NVQOVOQIDSHTHN-OAHLLOKOSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cccc1-c1nn[n-]n1 ZINC000822091101 607287146 /nfs/dbraw/zinc/28/71/46/607287146.db2.gz NVQOVOQIDSHTHN-OAHLLOKOSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084329 607289652 /nfs/dbraw/zinc/28/96/52/607289652.db2.gz IZSYUWNWVKYEJY-OAHLLOKOSA-N -1 3 394.504 3.821 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084329 607289653 /nfs/dbraw/zinc/28/96/53/607289653.db2.gz IZSYUWNWVKYEJY-OAHLLOKOSA-N -1 3 394.504 3.821 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822104451 607290348 /nfs/dbraw/zinc/29/03/48/607290348.db2.gz NGZMEZLPZHOAIE-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822104451 607290349 /nfs/dbraw/zinc/29/03/49/607290349.db2.gz NGZMEZLPZHOAIE-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820667324 599259079 /nfs/dbraw/zinc/25/90/79/599259079.db2.gz LVQJGHXMNAJGCI-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820667324 599259081 /nfs/dbraw/zinc/25/90/81/599259081.db2.gz LVQJGHXMNAJGCI-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819940163 607314067 /nfs/dbraw/zinc/31/40/67/607314067.db2.gz QWJANNXKHODADJ-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819940163 607314068 /nfs/dbraw/zinc/31/40/68/607314068.db2.gz QWJANNXKHODADJ-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000823756969 607314537 /nfs/dbraw/zinc/31/45/37/607314537.db2.gz IEDDRENQUFAQOR-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@H]1CCSC1 ZINC000822211645 599265714 /nfs/dbraw/zinc/26/57/14/599265714.db2.gz IUPPTZLIMHVHCP-AWEZNQCLSA-N -1 3 396.476 3.594 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@H]1CCSC1 ZINC000822211645 599265715 /nfs/dbraw/zinc/26/57/15/599265715.db2.gz IUPPTZLIMHVHCP-AWEZNQCLSA-N -1 3 396.476 3.594 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)n1 ZINC000820898009 607303535 /nfs/dbraw/zinc/30/35/35/607303535.db2.gz SBTXONHRULNOOH-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)n1 ZINC000820898009 607303536 /nfs/dbraw/zinc/30/35/36/607303536.db2.gz SBTXONHRULNOOH-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM Cc1cc([C@@H]2CCCN2c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)no1 ZINC000737262058 599267042 /nfs/dbraw/zinc/26/70/42/599267042.db2.gz GTMOLOUUGUFFBV-INIZCTEOSA-N -1 3 381.827 3.706 20 0 GHADHM Cc1cc([C@@H]2CCCN2c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)no1 ZINC000737262058 599267045 /nfs/dbraw/zinc/26/70/45/599267045.db2.gz GTMOLOUUGUFFBV-INIZCTEOSA-N -1 3 381.827 3.706 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000822217351 599268711 /nfs/dbraw/zinc/26/87/11/599268711.db2.gz BVTQLMFAHZHOIL-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000822217351 599268712 /nfs/dbraw/zinc/26/87/12/599268712.db2.gz BVTQLMFAHZHOIL-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccccc1C ZINC000736489375 599275145 /nfs/dbraw/zinc/27/51/45/599275145.db2.gz YXVIMZFNBIEYRG-UHFFFAOYSA-N -1 3 382.493 3.728 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380564 599275938 /nfs/dbraw/zinc/27/59/38/599275938.db2.gz WJOOIXUJNOIVMP-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380564 599275940 /nfs/dbraw/zinc/27/59/40/599275940.db2.gz WJOOIXUJNOIVMP-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823299089 599277667 /nfs/dbraw/zinc/27/76/67/599277667.db2.gz HBPOZBBFFBPLPA-NQBHXWOUSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823299089 599277669 /nfs/dbraw/zinc/27/76/69/599277669.db2.gz HBPOZBBFFBPLPA-NQBHXWOUSA-N -1 3 392.410 3.558 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820666511 599278490 /nfs/dbraw/zinc/27/84/90/599278490.db2.gz IFRSTOJKQGJWNK-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820666511 599278492 /nfs/dbraw/zinc/27/84/92/599278492.db2.gz IFRSTOJKQGJWNK-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000735874548 599280839 /nfs/dbraw/zinc/28/08/39/599280839.db2.gz JULSURHHKNMBNS-QGZVFWFLSA-N -1 3 394.504 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000735874548 599280842 /nfs/dbraw/zinc/28/08/42/599280842.db2.gz JULSURHHKNMBNS-QGZVFWFLSA-N -1 3 394.504 3.634 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380409 599280991 /nfs/dbraw/zinc/28/09/91/599280991.db2.gz SDVSZLZRZYOYLJ-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380409 599280994 /nfs/dbraw/zinc/28/09/94/599280994.db2.gz SDVSZLZRZYOYLJ-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000820380257 599283278 /nfs/dbraw/zinc/28/32/78/599283278.db2.gz OMTPVSGFSKBESS-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000820380257 599283280 /nfs/dbraw/zinc/28/32/80/599283280.db2.gz OMTPVSGFSKBESS-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM Cc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1F ZINC000822199933 599287240 /nfs/dbraw/zinc/28/72/40/599287240.db2.gz NTFNERYSUISKPS-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1F ZINC000822199933 599287242 /nfs/dbraw/zinc/28/72/42/599287242.db2.gz NTFNERYSUISKPS-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822205627 607348765 /nfs/dbraw/zinc/34/87/65/607348765.db2.gz BAYPZTUTXURXMG-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCS1 ZINC000736281969 598267247 /nfs/dbraw/zinc/26/72/47/598267247.db2.gz VRUADOJYOJZSBF-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000736281969 598267251 /nfs/dbraw/zinc/26/72/51/598267251.db2.gz VRUADOJYOJZSBF-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736199858 598279221 /nfs/dbraw/zinc/27/92/21/598279221.db2.gz BHUYFGHJMCFHOT-GFCCVEGCSA-N -1 3 385.447 3.787 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736199858 598279222 /nfs/dbraw/zinc/27/92/22/598279222.db2.gz BHUYFGHJMCFHOT-GFCCVEGCSA-N -1 3 385.447 3.787 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@H](C)c1cccc(O)c1 ZINC000736506072 598280112 /nfs/dbraw/zinc/28/01/12/598280112.db2.gz PXANQWSQKGGBKC-CYBMUJFWSA-N -1 3 397.483 3.744 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@H](C)c1cccc(O)c1 ZINC000736506072 598280114 /nfs/dbraw/zinc/28/01/14/598280114.db2.gz PXANQWSQKGGBKC-CYBMUJFWSA-N -1 3 397.483 3.744 20 0 GHADHM Cc1cccc(OCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737402238 598280782 /nfs/dbraw/zinc/28/07/82/598280782.db2.gz ULRJYMCQGMVAKK-UHFFFAOYSA-N -1 3 383.427 3.526 20 0 GHADHM Cc1cccc(OCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737402238 598280783 /nfs/dbraw/zinc/28/07/83/598280783.db2.gz ULRJYMCQGMVAKK-UHFFFAOYSA-N -1 3 383.427 3.526 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736346204 598284246 /nfs/dbraw/zinc/28/42/46/598284246.db2.gz UVQBJOLOXHOBQF-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736346204 598284248 /nfs/dbraw/zinc/28/42/48/598284248.db2.gz UVQBJOLOXHOBQF-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736450749 598284795 /nfs/dbraw/zinc/28/47/95/598284795.db2.gz GAHBMJJBNLFGLZ-OAHLLOKOSA-N -1 3 394.479 3.766 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736450749 598284797 /nfs/dbraw/zinc/28/47/97/598284797.db2.gz GAHBMJJBNLFGLZ-OAHLLOKOSA-N -1 3 394.479 3.766 20 0 GHADHM COc1c(Cl)cc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737026452 598292706 /nfs/dbraw/zinc/29/27/06/598292706.db2.gz TWXVSXVFLMWKOL-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1c(Cl)cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737026452 598292708 /nfs/dbraw/zinc/29/27/08/598292708.db2.gz TWXVSXVFLMWKOL-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736173874 598295771 /nfs/dbraw/zinc/29/57/71/598295771.db2.gz KAMCLFLHBCESPD-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736173874 598295773 /nfs/dbraw/zinc/29/57/73/598295773.db2.gz KAMCLFLHBCESPD-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM CC(C)c1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735928676 598299886 /nfs/dbraw/zinc/29/98/86/598299886.db2.gz PHMRJJFWNGKLMZ-UHFFFAOYSA-N -1 3 385.468 3.538 20 0 GHADHM CC(C)c1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735928676 598299888 /nfs/dbraw/zinc/29/98/88/598299888.db2.gz PHMRJJFWNGKLMZ-UHFFFAOYSA-N -1 3 385.468 3.538 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738152720 598300719 /nfs/dbraw/zinc/30/07/19/598300719.db2.gz ZCDUIFGAAHULIM-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738152720 598300721 /nfs/dbraw/zinc/30/07/21/598300721.db2.gz ZCDUIFGAAHULIM-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112057 598303845 /nfs/dbraw/zinc/30/38/45/598303845.db2.gz OZFSJSKCDNFUCM-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112057 598303847 /nfs/dbraw/zinc/30/38/47/598303847.db2.gz OZFSJSKCDNFUCM-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)Cn1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000735851515 598307319 /nfs/dbraw/zinc/30/73/19/598307319.db2.gz YDTDLJWVKWKNPL-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM CC(C)Cn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000735851515 598307320 /nfs/dbraw/zinc/30/73/20/598307320.db2.gz YDTDLJWVKWKNPL-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM S=C(NCC1(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400459 598319243 /nfs/dbraw/zinc/31/92/43/598319243.db2.gz IELAPUBILRMJCD-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM S=C(NCC1(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400459 598319245 /nfs/dbraw/zinc/31/92/45/598319245.db2.gz IELAPUBILRMJCD-UHFFFAOYSA-N -1 3 384.896 3.538 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736242059 598320251 /nfs/dbraw/zinc/32/02/51/598320251.db2.gz YWTYEJOFTABSQR-NOZJJQNGSA-N -1 3 388.884 3.723 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736242059 598320253 /nfs/dbraw/zinc/32/02/53/598320253.db2.gz YWTYEJOFTABSQR-NOZJJQNGSA-N -1 3 388.884 3.723 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)cc1Cl ZINC000738100699 598322953 /nfs/dbraw/zinc/32/29/53/598322953.db2.gz QDXDHYPGXZQUCG-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)cc1Cl ZINC000738100699 598322955 /nfs/dbraw/zinc/32/29/55/598322955.db2.gz QDXDHYPGXZQUCG-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000736119960 598324934 /nfs/dbraw/zinc/32/49/34/598324934.db2.gz XHEMXWTUFIUXPK-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000736119960 598324936 /nfs/dbraw/zinc/32/49/36/598324936.db2.gz XHEMXWTUFIUXPK-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM CCC(CC)[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736337157 598325464 /nfs/dbraw/zinc/32/54/64/598325464.db2.gz IDGGARCFCDAKKM-LJQANCHMSA-N -1 3 396.470 3.983 20 0 GHADHM CCC(CC)[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736337157 598325466 /nfs/dbraw/zinc/32/54/66/598325466.db2.gz IDGGARCFCDAKKM-LJQANCHMSA-N -1 3 396.470 3.983 20 0 GHADHM CCc1cccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736697532 598325914 /nfs/dbraw/zinc/32/59/14/598325914.db2.gz HQEMQCIICKSYTC-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM CCc1cccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736697532 598325916 /nfs/dbraw/zinc/32/59/16/598325916.db2.gz HQEMQCIICKSYTC-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736187881 598331470 /nfs/dbraw/zinc/33/14/70/598331470.db2.gz KBDJMONPHONPGO-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736187881 598331472 /nfs/dbraw/zinc/33/14/72/598331472.db2.gz KBDJMONPHONPGO-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000820115926 607350341 /nfs/dbraw/zinc/35/03/41/607350341.db2.gz CDZRKLNPSPLUAK-KRWDZBQOSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000820115926 607350343 /nfs/dbraw/zinc/35/03/43/607350343.db2.gz CDZRKLNPSPLUAK-KRWDZBQOSA-N -1 3 381.505 3.785 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736184792 598359716 /nfs/dbraw/zinc/35/97/16/598359716.db2.gz NSLHYSDFTHQNKU-CHWSQXEVSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736184792 598359718 /nfs/dbraw/zinc/35/97/18/598359718.db2.gz NSLHYSDFTHQNKU-CHWSQXEVSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736112093 598370737 /nfs/dbraw/zinc/37/07/37/598370737.db2.gz POLMWLKQBQCMTF-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736112093 598370739 /nfs/dbraw/zinc/37/07/39/598370739.db2.gz POLMWLKQBQCMTF-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)CNc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737380804 598371567 /nfs/dbraw/zinc/37/15/67/598371567.db2.gz RTEXVNWVEOKJQH-UHFFFAOYSA-N -1 3 398.470 3.570 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000737291429 598380428 /nfs/dbraw/zinc/38/04/28/598380428.db2.gz LDVJASYIAIPEFA-LJQANCHMSA-N -1 3 377.448 3.814 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000737291429 598380429 /nfs/dbraw/zinc/38/04/29/598380429.db2.gz LDVJASYIAIPEFA-LJQANCHMSA-N -1 3 377.448 3.814 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c(C)c1 ZINC000737307389 598389634 /nfs/dbraw/zinc/38/96/34/598389634.db2.gz GWJMRMYJJIZJEH-UHFFFAOYSA-N -1 3 396.882 3.631 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c(C)c1 ZINC000737307389 598389637 /nfs/dbraw/zinc/38/96/37/598389637.db2.gz GWJMRMYJJIZJEH-UHFFFAOYSA-N -1 3 396.882 3.631 20 0 GHADHM Fc1ccc(Oc2ccc(CNc3ncc(-c4nnn[n-]4)cc3Cl)cn2)cc1 ZINC000737657752 598391431 /nfs/dbraw/zinc/39/14/31/598391431.db2.gz ZOFBWDUGSXYRLJ-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM Fc1ccc(Oc2ccc(CNc3ncc(-c4nn[n-]n4)cc3Cl)cn2)cc1 ZINC000737657752 598391434 /nfs/dbraw/zinc/39/14/34/598391434.db2.gz ZOFBWDUGSXYRLJ-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737371986 598394553 /nfs/dbraw/zinc/39/45/53/598394553.db2.gz SIMCHTPUHBVDAD-MRXNPFEDSA-N -1 3 384.896 3.802 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737371986 598394555 /nfs/dbraw/zinc/39/45/55/598394555.db2.gz SIMCHTPUHBVDAD-MRXNPFEDSA-N -1 3 384.896 3.802 20 0 GHADHM S=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000738408460 598394753 /nfs/dbraw/zinc/39/47/53/598394753.db2.gz LMZHRFXDSCQQLT-UHFFFAOYSA-N -1 3 396.867 3.515 20 0 GHADHM S=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000738408460 598394755 /nfs/dbraw/zinc/39/47/55/598394755.db2.gz LMZHRFXDSCQQLT-UHFFFAOYSA-N -1 3 396.867 3.515 20 0 GHADHM Cc1ccsc1-c1nn(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c(=S)o1 ZINC000737441591 598403520 /nfs/dbraw/zinc/40/35/20/598403520.db2.gz HFBAHWQWNBYMCV-UHFFFAOYSA-N -1 3 399.505 3.512 20 0 GHADHM Cc1ccsc1-c1nn(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c(=S)o1 ZINC000737441591 598403522 /nfs/dbraw/zinc/40/35/22/598403522.db2.gz HFBAHWQWNBYMCV-UHFFFAOYSA-N -1 3 399.505 3.512 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738232069 598412324 /nfs/dbraw/zinc/41/23/24/598412324.db2.gz FEWRYGBYPMYTIE-IBGZPJMESA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738232069 598412326 /nfs/dbraw/zinc/41/23/26/598412326.db2.gz FEWRYGBYPMYTIE-IBGZPJMESA-N -1 3 378.432 3.610 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099606 598416611 /nfs/dbraw/zinc/41/66/11/598416611.db2.gz JOYCJFPYHHWNNO-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099606 598416612 /nfs/dbraw/zinc/41/66/12/598416612.db2.gz JOYCJFPYHHWNNO-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)(CNC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000735670387 598418071 /nfs/dbraw/zinc/41/80/71/598418071.db2.gz OOKXXKFBKLSWHX-UHFFFAOYSA-N -1 3 395.410 3.655 20 0 GHADHM CC(C)(CNC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000735670387 598418072 /nfs/dbraw/zinc/41/80/72/598418072.db2.gz OOKXXKFBKLSWHX-UHFFFAOYSA-N -1 3 395.410 3.655 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736103488 598421812 /nfs/dbraw/zinc/42/18/12/598421812.db2.gz WVHXBFFDOYDWJR-OEYXZAGESA-N -1 3 375.457 3.972 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736103488 598421814 /nfs/dbraw/zinc/42/18/14/598421814.db2.gz WVHXBFFDOYDWJR-OEYXZAGESA-N -1 3 375.457 3.972 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452552 598424137 /nfs/dbraw/zinc/42/41/37/598424137.db2.gz FEOLLFPNEHYUBW-HNNXBMFYSA-N -1 3 394.479 3.509 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000735874498 598425296 /nfs/dbraw/zinc/42/52/96/598425296.db2.gz PWAGACIZHZJRGK-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000735874498 598425297 /nfs/dbraw/zinc/42/52/97/598425297.db2.gz PWAGACIZHZJRGK-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737321741 598430231 /nfs/dbraw/zinc/43/02/31/598430231.db2.gz WCRLOVHEMFUWFT-INIZCTEOSA-N -1 3 378.480 3.856 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737321741 598430233 /nfs/dbraw/zinc/43/02/33/598430233.db2.gz WCRLOVHEMFUWFT-INIZCTEOSA-N -1 3 378.480 3.856 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737321742 598430385 /nfs/dbraw/zinc/43/03/85/598430385.db2.gz WCRLOVHEMFUWFT-MRXNPFEDSA-N -1 3 378.480 3.856 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737321742 598430387 /nfs/dbraw/zinc/43/03/87/598430387.db2.gz WCRLOVHEMFUWFT-MRXNPFEDSA-N -1 3 378.480 3.856 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737151205 598433176 /nfs/dbraw/zinc/43/31/76/598433176.db2.gz AELRDMOAVJZKDC-GJZGRUSLSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737151205 598433177 /nfs/dbraw/zinc/43/31/77/598433177.db2.gz AELRDMOAVJZKDC-GJZGRUSLSA-N -1 3 380.448 3.748 20 0 GHADHM Cc1cc(C)c(C)c(OCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737245508 598433504 /nfs/dbraw/zinc/43/35/04/598433504.db2.gz DUAOPDZORKZZBA-INIZCTEOSA-N -1 3 380.448 3.865 20 0 GHADHM Cc1cc(C)c(C)c(OCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737245508 598433506 /nfs/dbraw/zinc/43/35/06/598433506.db2.gz DUAOPDZORKZZBA-INIZCTEOSA-N -1 3 380.448 3.865 20 0 GHADHM O=C(COC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415933 607358261 /nfs/dbraw/zinc/35/82/61/607358261.db2.gz ZQIVBFYBEPUSJP-UHFFFAOYSA-N -1 3 397.394 3.541 20 0 GHADHM O=C(COC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415933 607358263 /nfs/dbraw/zinc/35/82/63/607358263.db2.gz ZQIVBFYBEPUSJP-UHFFFAOYSA-N -1 3 397.394 3.541 20 0 GHADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736148142 598483993 /nfs/dbraw/zinc/48/39/93/598483993.db2.gz FULMYMIRKRZDEU-GFCCVEGCSA-N -1 3 388.374 3.608 20 0 GHADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736148142 598483994 /nfs/dbraw/zinc/48/39/94/598483994.db2.gz FULMYMIRKRZDEU-GFCCVEGCSA-N -1 3 388.374 3.608 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156091 598486112 /nfs/dbraw/zinc/48/61/12/598486112.db2.gz UIBRFRHWYPSNFS-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156091 598486114 /nfs/dbraw/zinc/48/61/14/598486114.db2.gz UIBRFRHWYPSNFS-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM Cc1ccc(SCCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737368951 598489076 /nfs/dbraw/zinc/48/90/76/598489076.db2.gz OKVXVQCXEDASCB-UHFFFAOYSA-N -1 3 384.509 3.853 20 0 GHADHM Cc1ccc(SCCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737368951 598489079 /nfs/dbraw/zinc/48/90/79/598489079.db2.gz OKVXVQCXEDASCB-UHFFFAOYSA-N -1 3 384.509 3.853 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000735662814 598489417 /nfs/dbraw/zinc/48/94/17/598489417.db2.gz YMFXPMJOCOUSHA-UHFFFAOYSA-N -1 3 395.854 3.877 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000735662814 598489418 /nfs/dbraw/zinc/48/94/18/598489418.db2.gz YMFXPMJOCOUSHA-UHFFFAOYSA-N -1 3 395.854 3.877 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000735662099 598489595 /nfs/dbraw/zinc/48/95/95/598489595.db2.gz PZWJPXDDRCUBFX-UHFFFAOYSA-N -1 3 394.479 3.997 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000735662099 598489597 /nfs/dbraw/zinc/48/95/97/598489597.db2.gz PZWJPXDDRCUBFX-UHFFFAOYSA-N -1 3 394.479 3.997 20 0 GHADHM CC(C)C[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735762275 598494527 /nfs/dbraw/zinc/49/45/27/598494527.db2.gz WMFHLADTWPCLRD-ZDUSSCGKSA-N -1 3 383.418 3.830 20 0 GHADHM CC(C)C[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735762275 598494529 /nfs/dbraw/zinc/49/45/29/598494529.db2.gz WMFHLADTWPCLRD-ZDUSSCGKSA-N -1 3 383.418 3.830 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738124465 598495591 /nfs/dbraw/zinc/49/55/91/598495591.db2.gz RUTSRNOYWBSXLJ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738124465 598495593 /nfs/dbraw/zinc/49/55/93/598495593.db2.gz RUTSRNOYWBSXLJ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM C[C@@H](Sc1ccnc2ccccc21)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736192741 598503599 /nfs/dbraw/zinc/50/35/99/598503599.db2.gz NDYVJJXRKLGRQR-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@@H](Sc1ccnc2ccccc21)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736192741 598503600 /nfs/dbraw/zinc/50/36/00/598503600.db2.gz NDYVJJXRKLGRQR-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738182794 598511576 /nfs/dbraw/zinc/51/15/76/598511576.db2.gz IOLZROJVTBTOIA-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738182794 598511577 /nfs/dbraw/zinc/51/15/77/598511577.db2.gz IOLZROJVTBTOIA-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM COc1cccc(C2(CNC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737130850 598511963 /nfs/dbraw/zinc/51/19/63/598511963.db2.gz ZAZRSCJFMUBELF-UHFFFAOYSA-N -1 3 392.463 3.509 20 0 GHADHM COc1cccc(C2(CNC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737130850 598511965 /nfs/dbraw/zinc/51/19/65/598511965.db2.gz ZAZRSCJFMUBELF-UHFFFAOYSA-N -1 3 392.463 3.509 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250507 598514382 /nfs/dbraw/zinc/51/43/82/598514382.db2.gz HOGCSQJCXNTJCD-STQMWFEESA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250507 598514383 /nfs/dbraw/zinc/51/43/83/598514383.db2.gz HOGCSQJCXNTJCD-STQMWFEESA-N -1 3 375.215 3.883 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3)c2C)c1-c1nnn[n-]1 ZINC000736674478 598517087 /nfs/dbraw/zinc/51/70/87/598517087.db2.gz CTWKMNCHRPZNTB-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3)c2C)c1-c1nn[n-]n1 ZINC000736674478 598517088 /nfs/dbraw/zinc/51/70/88/598517088.db2.gz CTWKMNCHRPZNTB-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM C[C@@H](N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C ZINC000736097636 598538780 /nfs/dbraw/zinc/53/87/80/598538780.db2.gz QAGXYCGDEJVNHZ-CYBMUJFWSA-N -1 3 383.452 3.545 20 0 GHADHM CCO[C@H](CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736616260 598541479 /nfs/dbraw/zinc/54/14/79/598541479.db2.gz MIATWUULGYGSBQ-LJQANCHMSA-N -1 3 395.463 3.508 20 0 GHADHM CCO[C@H](CC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736616260 598541481 /nfs/dbraw/zinc/54/14/81/598541481.db2.gz MIATWUULGYGSBQ-LJQANCHMSA-N -1 3 395.463 3.508 20 0 GHADHM O=C(CC1CCCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737813930 598543976 /nfs/dbraw/zinc/54/39/76/598543976.db2.gz LWLLOMNVBQYIDL-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(CC1CCCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737813930 598543977 /nfs/dbraw/zinc/54/39/77/598543977.db2.gz LWLLOMNVBQYIDL-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1(C)C ZINC000735680055 598544620 /nfs/dbraw/zinc/54/46/20/598544620.db2.gz QXTLNCAKJQRQSQ-BXUZGUMPSA-N -1 3 377.395 3.645 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1(C)C ZINC000735680055 598544622 /nfs/dbraw/zinc/54/46/22/598544622.db2.gz QXTLNCAKJQRQSQ-BXUZGUMPSA-N -1 3 377.395 3.645 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1ccccc1F ZINC000736278941 598551516 /nfs/dbraw/zinc/55/15/16/598551516.db2.gz IDWPJBHBHOTRFS-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1ccccc1F ZINC000736278941 598551517 /nfs/dbraw/zinc/55/15/17/598551517.db2.gz IDWPJBHBHOTRFS-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM O=C(CCc1nccs1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737860843 598554314 /nfs/dbraw/zinc/55/43/14/598554314.db2.gz XMLWIFBBPUSLRI-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(CCc1nccs1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737860843 598554315 /nfs/dbraw/zinc/55/43/15/598554315.db2.gz XMLWIFBBPUSLRI-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(COC1CCCCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737916469 598555098 /nfs/dbraw/zinc/55/50/98/598555098.db2.gz UAPCHRXFQIYQOS-UHFFFAOYSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(COC1CCCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737916469 598555100 /nfs/dbraw/zinc/55/51/00/598555100.db2.gz UAPCHRXFQIYQOS-UHFFFAOYSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(Cc1cccc(F)c1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737970538 598555801 /nfs/dbraw/zinc/55/58/01/598555801.db2.gz WZDWPJSMFIPUTA-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1cccc(F)c1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737970538 598555803 /nfs/dbraw/zinc/55/58/03/598555803.db2.gz WZDWPJSMFIPUTA-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC[C@@H]1C1CCCC1 ZINC000738146107 598562598 /nfs/dbraw/zinc/56/25/98/598562598.db2.gz PRAFIFMKZLGJCY-CQSZACIVSA-N -1 3 392.410 3.655 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC[C@@H]1C1CCCC1 ZINC000738146107 598562600 /nfs/dbraw/zinc/56/26/00/598562600.db2.gz PRAFIFMKZLGJCY-CQSZACIVSA-N -1 3 392.410 3.655 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)/C=C\Sc1ccccc1 ZINC000737025169 598564343 /nfs/dbraw/zinc/56/43/43/598564343.db2.gz MGTHCPUJJQSUDA-FPLPWBNLSA-N -1 3 388.836 3.740 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)/C=C\Sc1ccccc1 ZINC000737025169 598564344 /nfs/dbraw/zinc/56/43/44/598564344.db2.gz MGTHCPUJJQSUDA-FPLPWBNLSA-N -1 3 388.836 3.740 20 0 GHADHM Cc1cccc(-n2ccnc2SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737380456 598568162 /nfs/dbraw/zinc/56/81/62/598568162.db2.gz AHBYEBFJIXIDBY-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1cccc(-n2ccnc2SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737380456 598568164 /nfs/dbraw/zinc/56/81/64/598568164.db2.gz AHBYEBFJIXIDBY-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736791963 598578525 /nfs/dbraw/zinc/57/85/25/598578525.db2.gz PEDIJYCYQYVQFE-QGZVFWFLSA-N -1 3 389.381 3.636 20 0 GHADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736791963 598578526 /nfs/dbraw/zinc/57/85/26/598578526.db2.gz PEDIJYCYQYVQFE-QGZVFWFLSA-N -1 3 389.381 3.636 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735736312 598583529 /nfs/dbraw/zinc/58/35/29/598583529.db2.gz RVDKNQFDZZLYJP-KRWDZBQOSA-N -1 3 385.468 3.902 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735736312 598583530 /nfs/dbraw/zinc/58/35/30/598583530.db2.gz RVDKNQFDZZLYJP-KRWDZBQOSA-N -1 3 385.468 3.902 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736192748 598584370 /nfs/dbraw/zinc/58/43/70/598584370.db2.gz NGPWIHCIALIWTC-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736192748 598584372 /nfs/dbraw/zinc/58/43/72/598584372.db2.gz NGPWIHCIALIWTC-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120123 598597574 /nfs/dbraw/zinc/59/75/74/598597574.db2.gz XHMAQZFTYNAVHF-AWEZNQCLSA-N -1 3 394.504 3.552 20 0 GHADHM C[C@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120123 598597576 /nfs/dbraw/zinc/59/75/76/598597576.db2.gz XHMAQZFTYNAVHF-AWEZNQCLSA-N -1 3 394.504 3.552 20 0 GHADHM Cc1ccccc1Nc1nc(COC(=O)c2sccc2-c2nnn[n-]2)cs1 ZINC000737435189 598598578 /nfs/dbraw/zinc/59/85/78/598598578.db2.gz IWZMROPSLNTHDG-UHFFFAOYSA-N -1 3 398.473 3.794 20 0 GHADHM c1ccc(-c2noc(-c3ccc(OCc4ccccc4-c4nnn[n-]4)cc3)n2)nc1 ZINC000738424156 598609283 /nfs/dbraw/zinc/60/92/83/598609283.db2.gz BPGVADFXBVNLQJ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2noc(-c3ccc(OCc4ccccc4-c4nn[n-]n4)cc3)n2)nc1 ZINC000738424156 598609284 /nfs/dbraw/zinc/60/92/84/598609284.db2.gz BPGVADFXBVNLQJ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CC(C)Cc1noc(-c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000735851054 598610474 /nfs/dbraw/zinc/61/04/74/598610474.db2.gz KNYYPCLMGDWPPJ-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM CC(C)Cc1noc(-c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000735851054 598610476 /nfs/dbraw/zinc/61/04/76/598610476.db2.gz KNYYPCLMGDWPPJ-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737075742 598618881 /nfs/dbraw/zinc/61/88/81/598618881.db2.gz OMZCBTNNSZXAAM-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737075742 598618883 /nfs/dbraw/zinc/61/88/83/598618883.db2.gz OMZCBTNNSZXAAM-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738161516 598626799 /nfs/dbraw/zinc/62/67/99/598626799.db2.gz FAPMSNNNNDPDHT-OAHLLOKOSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738161516 598626801 /nfs/dbraw/zinc/62/68/01/598626801.db2.gz FAPMSNNNNDPDHT-OAHLLOKOSA-N -1 3 380.427 3.807 20 0 GHADHM CCC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736424706 598633428 /nfs/dbraw/zinc/63/34/28/598633428.db2.gz ROSTZZBWGBNJIE-CYBMUJFWSA-N -1 3 398.442 3.895 20 0 GHADHM CCC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736424706 598633430 /nfs/dbraw/zinc/63/34/30/598633430.db2.gz ROSTZZBWGBNJIE-CYBMUJFWSA-N -1 3 398.442 3.895 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1cccs1 ZINC000736121258 598645987 /nfs/dbraw/zinc/64/59/87/598645987.db2.gz AQDDGUJKMNCONJ-LBPRGKRZSA-N -1 3 392.444 3.607 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1cccs1 ZINC000736121258 598645989 /nfs/dbraw/zinc/64/59/89/598645989.db2.gz AQDDGUJKMNCONJ-LBPRGKRZSA-N -1 3 392.444 3.607 20 0 GHADHM Cc1cc2sc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)nc2c(C)c1 ZINC000737248008 598647114 /nfs/dbraw/zinc/64/71/14/598647114.db2.gz CSJLWTXUJKFPFM-UHFFFAOYSA-N -1 3 396.501 3.824 20 0 GHADHM Cc1cc2sc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)nc2c(C)c1 ZINC000737248008 598647116 /nfs/dbraw/zinc/64/71/16/598647116.db2.gz CSJLWTXUJKFPFM-UHFFFAOYSA-N -1 3 396.501 3.824 20 0 GHADHM O=C(Oc1ccc2c(c1)CCC2)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738246702 598647329 /nfs/dbraw/zinc/64/73/29/598647329.db2.gz JXMIGCZDOYTTEG-UHFFFAOYSA-N -1 3 399.410 3.762 20 0 GHADHM O=C(Oc1ccc2c(c1)CCC2)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738246702 598647330 /nfs/dbraw/zinc/64/73/30/598647330.db2.gz JXMIGCZDOYTTEG-UHFFFAOYSA-N -1 3 399.410 3.762 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736200206 598647788 /nfs/dbraw/zinc/64/77/88/598647788.db2.gz CWDVTGHDYWZPSP-MRXNPFEDSA-N -1 3 379.464 3.635 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736200206 598647790 /nfs/dbraw/zinc/64/77/90/598647790.db2.gz CWDVTGHDYWZPSP-MRXNPFEDSA-N -1 3 379.464 3.635 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]12 ZINC000736277025 598652761 /nfs/dbraw/zinc/65/27/61/598652761.db2.gz KPQVPAZUYCZWOB-NSISKUIASA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]12 ZINC000736277025 598652763 /nfs/dbraw/zinc/65/27/63/598652763.db2.gz KPQVPAZUYCZWOB-NSISKUIASA-N -1 3 397.523 3.843 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735589732 598653184 /nfs/dbraw/zinc/65/31/84/598653184.db2.gz NWIREKBHKDZSIP-SFHVURJKSA-N -1 3 381.505 3.862 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735589732 598653186 /nfs/dbraw/zinc/65/31/86/598653186.db2.gz NWIREKBHKDZSIP-SFHVURJKSA-N -1 3 381.505 3.862 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc2ncsc2c1 ZINC000737833616 598654052 /nfs/dbraw/zinc/65/40/52/598654052.db2.gz YEOUFHPBWLQCKU-UHFFFAOYSA-N -1 3 394.460 3.664 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc2ncsc2c1 ZINC000737833616 598654054 /nfs/dbraw/zinc/65/40/54/598654054.db2.gz YEOUFHPBWLQCKU-UHFFFAOYSA-N -1 3 394.460 3.664 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)Sc1ccccc1 ZINC000736634809 598654551 /nfs/dbraw/zinc/65/45/51/598654551.db2.gz JHGBXRAHAZBRAV-KRWDZBQOSA-N -1 3 383.477 3.775 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)Sc1ccccc1 ZINC000736634809 598654552 /nfs/dbraw/zinc/65/45/52/598654552.db2.gz JHGBXRAHAZBRAV-KRWDZBQOSA-N -1 3 383.477 3.775 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738046749 598658110 /nfs/dbraw/zinc/65/81/10/598658110.db2.gz XOOGTXQRKKQVIR-HNNXBMFYSA-N -1 3 375.432 3.745 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738046749 598658112 /nfs/dbraw/zinc/65/81/12/598658112.db2.gz XOOGTXQRKKQVIR-HNNXBMFYSA-N -1 3 375.432 3.745 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737395918 598658170 /nfs/dbraw/zinc/65/81/70/598658170.db2.gz CEJPNQMIJUHDAQ-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737395918 598658172 /nfs/dbraw/zinc/65/81/72/598658172.db2.gz CEJPNQMIJUHDAQ-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM CC(C)N(C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000735857652 598664229 /nfs/dbraw/zinc/66/42/29/598664229.db2.gz XCXWITRSTWVRCI-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM CC(C)N(C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000735857652 598664231 /nfs/dbraw/zinc/66/42/31/598664231.db2.gz XCXWITRSTWVRCI-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000736140322 598664621 /nfs/dbraw/zinc/66/46/21/598664621.db2.gz UBXJKHXGNSLPBL-LLVKDONJSA-N -1 3 384.827 3.650 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000736140322 598664623 /nfs/dbraw/zinc/66/46/23/598664623.db2.gz UBXJKHXGNSLPBL-LLVKDONJSA-N -1 3 384.827 3.650 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000738384582 598678880 /nfs/dbraw/zinc/67/88/80/598678880.db2.gz UGVSCFYOTWJPPV-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000738384582 598678882 /nfs/dbraw/zinc/67/88/82/598678882.db2.gz UGVSCFYOTWJPPV-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736203947 598684504 /nfs/dbraw/zinc/68/45/04/598684504.db2.gz PNKHWBKZOJXLRF-AWEZNQCLSA-N -1 3 385.493 3.697 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736203947 598684505 /nfs/dbraw/zinc/68/45/05/598684505.db2.gz PNKHWBKZOJXLRF-AWEZNQCLSA-N -1 3 385.493 3.697 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737423343 598696448 /nfs/dbraw/zinc/69/64/48/598696448.db2.gz QSVPDPFABVAOQM-UONOGXRCSA-N -1 3 399.495 3.813 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737423343 598696449 /nfs/dbraw/zinc/69/64/49/598696449.db2.gz QSVPDPFABVAOQM-UONOGXRCSA-N -1 3 399.495 3.813 20 0 GHADHM CCn1ccnc1CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000736721486 598703984 /nfs/dbraw/zinc/70/39/84/598703984.db2.gz BXOMQPNARUGQFU-UHFFFAOYSA-N -1 3 391.454 3.737 20 0 GHADHM CCn1ccnc1CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000736721486 598703985 /nfs/dbraw/zinc/70/39/85/598703985.db2.gz BXOMQPNARUGQFU-UHFFFAOYSA-N -1 3 391.454 3.737 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccccc1-c1nnn[n-]1 ZINC000737808651 598712843 /nfs/dbraw/zinc/71/28/43/598712843.db2.gz PPWXPYIFSYZHRE-OAHLLOKOSA-N -1 3 376.338 3.646 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccccc1-c1nn[n-]n1 ZINC000737808651 598712845 /nfs/dbraw/zinc/71/28/45/598712845.db2.gz PPWXPYIFSYZHRE-OAHLLOKOSA-N -1 3 376.338 3.646 20 0 GHADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c21 ZINC000737407780 598717180 /nfs/dbraw/zinc/71/71/80/598717180.db2.gz GMZLITAOKDSIFV-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c21 ZINC000737407780 598717181 /nfs/dbraw/zinc/71/71/81/598717181.db2.gz GMZLITAOKDSIFV-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000737064598 598725554 /nfs/dbraw/zinc/72/55/54/598725554.db2.gz XGHRYRDFVQLIEE-KRWDZBQOSA-N -1 3 392.463 3.504 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000737064598 598725556 /nfs/dbraw/zinc/72/55/56/598725556.db2.gz XGHRYRDFVQLIEE-KRWDZBQOSA-N -1 3 392.463 3.504 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000738117100 598726919 /nfs/dbraw/zinc/72/69/19/598726919.db2.gz NAMPIYGWPXIIJW-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000738117100 598726921 /nfs/dbraw/zinc/72/69/21/598726921.db2.gz NAMPIYGWPXIIJW-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM COC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736969749 598736108 /nfs/dbraw/zinc/73/61/08/598736108.db2.gz YLAZQXDOFQLWJL-NSHDSACASA-N -1 3 387.827 3.533 20 0 GHADHM COC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736969749 598736109 /nfs/dbraw/zinc/73/61/09/598736109.db2.gz YLAZQXDOFQLWJL-NSHDSACASA-N -1 3 387.827 3.533 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736667410 598745741 /nfs/dbraw/zinc/74/57/41/598745741.db2.gz PMFLWDCQRZOVPX-UONOGXRCSA-N -1 3 397.504 3.623 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccnc(C2CC2)n1 ZINC000738186391 598754279 /nfs/dbraw/zinc/75/42/79/598754279.db2.gz YIUFNHZDIOKYOE-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737421378 598759159 /nfs/dbraw/zinc/75/91/59/598759159.db2.gz LXIKATMMSVMIBR-BEFAXECRSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421378 598759161 /nfs/dbraw/zinc/75/91/61/598759161.db2.gz LXIKATMMSVMIBR-BEFAXECRSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1nc([C@H]2CCCN2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000737473801 598760999 /nfs/dbraw/zinc/76/09/99/598760999.db2.gz HJMZZWDGZQAKEB-LJQANCHMSA-N -1 3 387.447 3.562 20 0 GHADHM Cc1nc([C@H]2CCCN2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000737473801 598761000 /nfs/dbraw/zinc/76/10/00/598761000.db2.gz HJMZZWDGZQAKEB-LJQANCHMSA-N -1 3 387.447 3.562 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736354147 598763118 /nfs/dbraw/zinc/76/31/18/598763118.db2.gz RSNDJUPBKQWILN-INIZCTEOSA-N -1 3 379.464 3.861 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736354147 598763120 /nfs/dbraw/zinc/76/31/20/598763120.db2.gz RSNDJUPBKQWILN-INIZCTEOSA-N -1 3 379.464 3.861 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737424137 598764880 /nfs/dbraw/zinc/76/48/80/598764880.db2.gz VTFKGEYCVKGDHS-LJQANCHMSA-N -1 3 379.489 3.535 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737424137 598764882 /nfs/dbraw/zinc/76/48/82/598764882.db2.gz VTFKGEYCVKGDHS-LJQANCHMSA-N -1 3 379.489 3.535 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCc3cc4ccccc4[nH]3)c2c1 ZINC000737654033 598772069 /nfs/dbraw/zinc/77/20/69/598772069.db2.gz WMQFFIZWMAPTMK-UHFFFAOYSA-N -1 3 377.358 3.787 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCc3cc4ccccc4[nH]3)c2c1 ZINC000737654033 598772072 /nfs/dbraw/zinc/77/20/72/598772072.db2.gz WMQFFIZWMAPTMK-UHFFFAOYSA-N -1 3 377.358 3.787 20 0 GHADHM CCS[C@@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000736663318 598773075 /nfs/dbraw/zinc/77/30/75/598773075.db2.gz CZYZWYKTQIRWSS-GFCCVEGCSA-N -1 3 390.463 3.805 20 0 GHADHM CCS[C@@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000736663318 598773076 /nfs/dbraw/zinc/77/30/76/598773076.db2.gz CZYZWYKTQIRWSS-GFCCVEGCSA-N -1 3 390.463 3.805 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000736480849 598781885 /nfs/dbraw/zinc/78/18/85/598781885.db2.gz NWVTVCONOJYLBN-UHFFFAOYSA-N -1 3 375.436 3.792 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000736480849 598781886 /nfs/dbraw/zinc/78/18/86/598781886.db2.gz NWVTVCONOJYLBN-UHFFFAOYSA-N -1 3 375.436 3.792 20 0 GHADHM CCCCOc1ccccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736463182 598786676 /nfs/dbraw/zinc/78/66/76/598786676.db2.gz MBGNQKGGYBFJIV-OAHLLOKOSA-N -1 3 396.447 3.556 20 0 GHADHM CCCCOc1ccccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736463182 598786678 /nfs/dbraw/zinc/78/66/78/598786678.db2.gz MBGNQKGGYBFJIV-OAHLLOKOSA-N -1 3 396.447 3.556 20 0 GHADHM CCN(C(=O)c1cc2nc(C)ccc2o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504663 598789948 /nfs/dbraw/zinc/78/99/48/598789948.db2.gz CNWWFWLNNAAQJM-CYBMUJFWSA-N -1 3 376.420 3.540 20 0 GHADHM CCN(C(=O)c1cc2nc(C)ccc2o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504663 598789949 /nfs/dbraw/zinc/78/99/49/598789949.db2.gz CNWWFWLNNAAQJM-CYBMUJFWSA-N -1 3 376.420 3.540 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)cc1 ZINC000737570192 598794717 /nfs/dbraw/zinc/79/47/17/598794717.db2.gz CTOMYLABGWMQAX-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)cc1 ZINC000737570192 598794718 /nfs/dbraw/zinc/79/47/18/598794718.db2.gz CTOMYLABGWMQAX-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738116004 598801858 /nfs/dbraw/zinc/80/18/58/598801858.db2.gz GAMSKQQNHOIMPL-SFHVURJKSA-N -1 3 396.882 3.861 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738116004 598801859 /nfs/dbraw/zinc/80/18/59/598801859.db2.gz GAMSKQQNHOIMPL-SFHVURJKSA-N -1 3 396.882 3.861 20 0 GHADHM O=C(CCCc1ccccn1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737836783 598804290 /nfs/dbraw/zinc/80/42/90/598804290.db2.gz OMCFOKLYAMOIBH-UHFFFAOYSA-N -1 3 396.520 3.944 20 0 GHADHM O=C(CCCc1ccccn1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737836783 598804291 /nfs/dbraw/zinc/80/42/91/598804291.db2.gz OMCFOKLYAMOIBH-UHFFFAOYSA-N -1 3 396.520 3.944 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735736351 598822428 /nfs/dbraw/zinc/82/24/28/598822428.db2.gz SLQVHPFAFREFSO-LJQANCHMSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735736351 598822429 /nfs/dbraw/zinc/82/24/29/598822429.db2.gz SLQVHPFAFREFSO-LJQANCHMSA-N -1 3 383.883 3.918 20 0 GHADHM CCOc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)ccc1C ZINC000736628841 598822548 /nfs/dbraw/zinc/82/25/48/598822548.db2.gz YFLYMBQYRAZDSK-UHFFFAOYSA-N -1 3 393.491 3.872 20 0 GHADHM CCOc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)ccc1C ZINC000736628841 598822549 /nfs/dbraw/zinc/82/25/49/598822549.db2.gz YFLYMBQYRAZDSK-UHFFFAOYSA-N -1 3 393.491 3.872 20 0 GHADHM O=C(NCc1ccco1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823261110 599298570 /nfs/dbraw/zinc/29/85/70/599298570.db2.gz ASQZZAXGBPNGPA-UHFFFAOYSA-N -1 3 394.366 3.713 20 0 GHADHM O=C(NCc1ccco1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823261110 599298571 /nfs/dbraw/zinc/29/85/71/599298571.db2.gz ASQZZAXGBPNGPA-UHFFFAOYSA-N -1 3 394.366 3.713 20 0 GHADHM Brc1ccccc1-c1cnc(CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735367979 599325174 /nfs/dbraw/zinc/32/51/74/599325174.db2.gz CTDRXEJSCAFALF-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM COc1ccc(-c2nc(CS[C@H](C)c3ccc(-c4nnn[n-]4)cc3)no2)cc1 ZINC000737056030 599326666 /nfs/dbraw/zinc/32/66/66/599326666.db2.gz JWDKBDYLTCZAHT-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2nc(CS[C@H](C)c3ccc(-c4nn[n-]n4)cc3)no2)cc1 ZINC000737056030 599326669 /nfs/dbraw/zinc/32/66/69/599326669.db2.gz JWDKBDYLTCZAHT-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM C[C@H](SCC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187981 599330771 /nfs/dbraw/zinc/33/07/71/599330771.db2.gz FUGXSRVZAGJELA-NSHDSACASA-N -1 3 386.481 3.585 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820555029 599349945 /nfs/dbraw/zinc/34/99/45/599349945.db2.gz DZBASIHHAYXGDX-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820555029 599349947 /nfs/dbraw/zinc/34/99/47/599349947.db2.gz DZBASIHHAYXGDX-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820555882 599350069 /nfs/dbraw/zinc/35/00/69/599350069.db2.gz QNUBPIFTAADKFT-KBPBESRZSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820555882 599350072 /nfs/dbraw/zinc/35/00/72/599350072.db2.gz QNUBPIFTAADKFT-KBPBESRZSA-N -1 3 379.489 3.715 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820146393 599370492 /nfs/dbraw/zinc/37/04/92/599370492.db2.gz NFJZUVFRVQMBOV-MRXNPFEDSA-N -1 3 381.480 3.981 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820146393 599370495 /nfs/dbraw/zinc/37/04/95/599370495.db2.gz NFJZUVFRVQMBOV-MRXNPFEDSA-N -1 3 381.480 3.981 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737184558 599383230 /nfs/dbraw/zinc/38/32/30/599383230.db2.gz ZCLQBXAULXKMEU-CYBMUJFWSA-N -1 3 399.545 3.889 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737184558 599383232 /nfs/dbraw/zinc/38/32/32/599383232.db2.gz ZCLQBXAULXKMEU-CYBMUJFWSA-N -1 3 399.545 3.889 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415119 607372299 /nfs/dbraw/zinc/37/22/99/607372299.db2.gz RWMOSHYXZDDUAZ-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415119 607372301 /nfs/dbraw/zinc/37/23/01/607372301.db2.gz RWMOSHYXZDDUAZ-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM COc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737046508 599397360 /nfs/dbraw/zinc/39/73/60/599397360.db2.gz DOXBBLWJWGVTBA-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000737046508 599397362 /nfs/dbraw/zinc/39/73/62/599397362.db2.gz DOXBBLWJWGVTBA-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356607 599422508 /nfs/dbraw/zinc/42/25/08/599422508.db2.gz AKINUZWTJONSOO-APPDUMDISA-N -1 3 382.855 3.568 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356607 599422510 /nfs/dbraw/zinc/42/25/10/599422510.db2.gz AKINUZWTJONSOO-APPDUMDISA-N -1 3 382.855 3.568 20 0 GHADHM Fc1cccc(C[C@H](NCc2ccc(-c3nnn[n-]3)o2)c2cccc(F)c2)c1 ZINC000822786276 599423185 /nfs/dbraw/zinc/42/31/85/599423185.db2.gz HFIILFZCFYBKEI-SFHVURJKSA-N -1 3 381.386 3.812 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000823737087 599423417 /nfs/dbraw/zinc/42/34/17/599423417.db2.gz AOGQIIDNRJTUIR-UHFFFAOYSA-N -1 3 387.443 3.742 20 0 GHADHM C[C@@H](NC(=O)NCCCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367463 599426984 /nfs/dbraw/zinc/42/69/84/599426984.db2.gz UDWQPFHQCPXCRO-CYBMUJFWSA-N -1 3 384.871 3.513 20 0 GHADHM C[C@@H](NC(=O)NCCCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367463 599426987 /nfs/dbraw/zinc/42/69/87/599426987.db2.gz UDWQPFHQCPXCRO-CYBMUJFWSA-N -1 3 384.871 3.513 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738383089 599437191 /nfs/dbraw/zinc/43/71/91/599437191.db2.gz OATAIYVLMLGOGV-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738383089 599437194 /nfs/dbraw/zinc/43/71/94/599437194.db2.gz OATAIYVLMLGOGV-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM Cc1cnc(CNCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)s1 ZINC000822395278 599453213 /nfs/dbraw/zinc/45/32/13/599453213.db2.gz ZRWITENEHBOANC-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM CC(C)C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820055901 599459635 /nfs/dbraw/zinc/45/96/35/599459635.db2.gz LKJDQWHDHHVAQT-SFHVURJKSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820055901 599459636 /nfs/dbraw/zinc/45/96/36/599459636.db2.gz LKJDQWHDHHVAQT-SFHVURJKSA-N -1 3 382.443 3.592 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342066 599472922 /nfs/dbraw/zinc/47/29/22/599472922.db2.gz SSIQKIOQISDXCB-SUNYJGFJSA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342066 599472923 /nfs/dbraw/zinc/47/29/23/599472923.db2.gz SSIQKIOQISDXCB-SUNYJGFJSA-N -1 3 394.454 3.654 20 0 GHADHM CCOCCOCc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821383950 599473439 /nfs/dbraw/zinc/47/34/39/599473439.db2.gz MUOZYXWWBOSBRS-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CCOCCOCc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821383950 599473441 /nfs/dbraw/zinc/47/34/41/599473441.db2.gz MUOZYXWWBOSBRS-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222769 599475323 /nfs/dbraw/zinc/47/53/23/599475323.db2.gz ZBADADBTEPICPL-LLVKDONJSA-N -1 3 390.900 3.874 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222769 599475326 /nfs/dbraw/zinc/47/53/26/599475326.db2.gz ZBADADBTEPICPL-LLVKDONJSA-N -1 3 390.900 3.874 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccccc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360324 599477042 /nfs/dbraw/zinc/47/70/42/599477042.db2.gz YDTDRIOUNOCNHI-MRXNPFEDSA-N -1 3 390.491 3.739 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccccc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360324 599477045 /nfs/dbraw/zinc/47/70/45/599477045.db2.gz YDTDRIOUNOCNHI-MRXNPFEDSA-N -1 3 390.491 3.739 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820668553 599477050 /nfs/dbraw/zinc/47/70/50/599477050.db2.gz URRQTBWCJGUVDW-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820668553 599477053 /nfs/dbraw/zinc/47/70/53/599477053.db2.gz URRQTBWCJGUVDW-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342452 599477720 /nfs/dbraw/zinc/47/77/20/599477720.db2.gz UVLMKBSEOSFTEU-SUMWQHHRSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342452 599477723 /nfs/dbraw/zinc/47/77/23/599477723.db2.gz UVLMKBSEOSFTEU-SUMWQHHRSA-N -1 3 396.882 3.780 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000736619080 599482421 /nfs/dbraw/zinc/48/24/21/599482421.db2.gz XFYZWMAOKFYEKM-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000736619080 599482424 /nfs/dbraw/zinc/48/24/24/599482424.db2.gz XFYZWMAOKFYEKM-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820920204 599484323 /nfs/dbraw/zinc/48/43/23/599484323.db2.gz MXHGICBQXFNMIV-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820920204 599484326 /nfs/dbraw/zinc/48/43/26/599484326.db2.gz MXHGICBQXFNMIV-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCS1 ZINC000822206214 599495861 /nfs/dbraw/zinc/49/58/61/599495861.db2.gz YEKAKJJAMGSHLN-SFHVURJKSA-N -1 3 397.479 3.743 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCS1 ZINC000822206214 599495863 /nfs/dbraw/zinc/49/58/63/599495863.db2.gz YEKAKJJAMGSHLN-SFHVURJKSA-N -1 3 397.479 3.743 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820232920 607381523 /nfs/dbraw/zinc/38/15/23/607381523.db2.gz HYUDPICDWOATSQ-GTNSWQLSSA-N -1 3 396.401 3.617 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820232920 607381525 /nfs/dbraw/zinc/38/15/25/607381525.db2.gz HYUDPICDWOATSQ-GTNSWQLSSA-N -1 3 396.401 3.617 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397358 599499533 /nfs/dbraw/zinc/49/95/33/599499533.db2.gz OMXHEKLJIHDQDJ-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397358 599499534 /nfs/dbraw/zinc/49/95/34/599499534.db2.gz OMXHEKLJIHDQDJ-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM CSCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737180692 599504300 /nfs/dbraw/zinc/50/43/00/599504300.db2.gz BOMHWCUWWUWHNR-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM CSCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737180692 599504302 /nfs/dbraw/zinc/50/43/02/599504302.db2.gz BOMHWCUWWUWHNR-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821062186 599505539 /nfs/dbraw/zinc/50/55/39/599505539.db2.gz VMDIDEPSIIGKPF-OAHLLOKOSA-N -1 3 379.464 3.927 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821062186 599505542 /nfs/dbraw/zinc/50/55/42/599505542.db2.gz VMDIDEPSIIGKPF-OAHLLOKOSA-N -1 3 379.464 3.927 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820881885 599507295 /nfs/dbraw/zinc/50/72/95/599507295.db2.gz DZIZNXGCYHOXRP-GJZGRUSLSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820881885 599507298 /nfs/dbraw/zinc/50/72/98/599507298.db2.gz DZIZNXGCYHOXRP-GJZGRUSLSA-N -1 3 379.464 3.636 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384397 599509068 /nfs/dbraw/zinc/50/90/68/599509068.db2.gz DDASELKESMAGBX-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384397 599509071 /nfs/dbraw/zinc/50/90/71/599509071.db2.gz DDASELKESMAGBX-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000737358984 599510350 /nfs/dbraw/zinc/51/03/50/599510350.db2.gz CLIBBIBTVRWXEX-ZDUSSCGKSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000737358984 599510352 /nfs/dbraw/zinc/51/03/52/599510352.db2.gz CLIBBIBTVRWXEX-ZDUSSCGKSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)sc1C ZINC000822437175 599511848 /nfs/dbraw/zinc/51/18/48/599511848.db2.gz XPLQNLWBKDYRCM-CQSZACIVSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)sc1C ZINC000822437175 599511850 /nfs/dbraw/zinc/51/18/50/599511850.db2.gz XPLQNLWBKDYRCM-CQSZACIVSA-N -1 3 391.504 3.872 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820683574 599512410 /nfs/dbraw/zinc/51/24/10/599512410.db2.gz DBWLZFCMKYBWAQ-OHQAAIJDSA-N -1 3 385.512 3.521 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820683574 599512413 /nfs/dbraw/zinc/51/24/13/599512413.db2.gz DBWLZFCMKYBWAQ-OHQAAIJDSA-N -1 3 385.512 3.521 20 0 GHADHM Oc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CC2)cc1 ZINC000738395929 599519272 /nfs/dbraw/zinc/51/92/72/599519272.db2.gz AQOMAUIWEOBURA-UHFFFAOYSA-N -1 3 387.365 3.885 20 0 GHADHM CC(C)c1ccc(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192185 599522775 /nfs/dbraw/zinc/52/27/75/599522775.db2.gz GCFFWJRSEVGUTM-OAHLLOKOSA-N -1 3 379.464 3.636 20 0 GHADHM CC(C)c1ccc(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192185 599522777 /nfs/dbraw/zinc/52/27/77/599522777.db2.gz GCFFWJRSEVGUTM-OAHLLOKOSA-N -1 3 379.464 3.636 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821095148 599529388 /nfs/dbraw/zinc/52/93/88/599529388.db2.gz YSBASZGYKWQYCB-HNNXBMFYSA-N -1 3 378.480 3.594 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821095148 599529390 /nfs/dbraw/zinc/52/93/90/599529390.db2.gz YSBASZGYKWQYCB-HNNXBMFYSA-N -1 3 378.480 3.594 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736397410 599530627 /nfs/dbraw/zinc/53/06/27/599530627.db2.gz TXEIHJDVPJPEHZ-KRWDZBQOSA-N -1 3 398.474 3.959 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736397410 599530629 /nfs/dbraw/zinc/53/06/29/599530629.db2.gz TXEIHJDVPJPEHZ-KRWDZBQOSA-N -1 3 398.474 3.959 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820533964 599532488 /nfs/dbraw/zinc/53/24/88/599532488.db2.gz IFWMHSDMJOLIDX-HUUCEWRRSA-N -1 3 379.464 3.635 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820533964 599532489 /nfs/dbraw/zinc/53/24/89/599532489.db2.gz IFWMHSDMJOLIDX-HUUCEWRRSA-N -1 3 379.464 3.635 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820684547 599547917 /nfs/dbraw/zinc/54/79/17/599547917.db2.gz RBQWRVOLSGQRLL-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820684547 599547918 /nfs/dbraw/zinc/54/79/18/599547918.db2.gz RBQWRVOLSGQRLL-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736362929 599549764 /nfs/dbraw/zinc/54/97/64/599549764.db2.gz LMKQWAYQYGMQKA-INIZCTEOSA-N -1 3 389.431 3.505 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736362929 599549766 /nfs/dbraw/zinc/54/97/66/599549766.db2.gz LMKQWAYQYGMQKA-INIZCTEOSA-N -1 3 389.431 3.505 20 0 GHADHM CC(C)c1ccc(CN(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000820192142 599561138 /nfs/dbraw/zinc/56/11/38/599561138.db2.gz FJTKDCJSGQJYOA-UHFFFAOYSA-N -1 3 389.463 3.672 20 0 GHADHM CC(C)c1ccc(CN(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000820192142 599561140 /nfs/dbraw/zinc/56/11/40/599561140.db2.gz FJTKDCJSGQJYOA-UHFFFAOYSA-N -1 3 389.463 3.672 20 0 GHADHM CN(Cc1cccs1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736828171 599562812 /nfs/dbraw/zinc/56/28/12/599562812.db2.gz ILBBSINPPOSZEM-UHFFFAOYSA-N -1 3 390.472 3.944 20 0 GHADHM C[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736125311 599568852 /nfs/dbraw/zinc/56/88/52/599568852.db2.gz XXTZKTGWALQWMG-AWEZNQCLSA-N -1 3 376.464 3.919 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CC/C=C/c1ccccc1 ZINC000736036799 599617033 /nfs/dbraw/zinc/61/70/33/599617033.db2.gz IDJBQSNCUONNCX-YKXBDCQTSA-N -1 3 378.432 3.671 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CC/C=C/c1ccccc1 ZINC000736036799 599617035 /nfs/dbraw/zinc/61/70/35/599617035.db2.gz IDJBQSNCUONNCX-YKXBDCQTSA-N -1 3 378.432 3.671 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512649 599621382 /nfs/dbraw/zinc/62/13/82/599621382.db2.gz MONCCMMWVBDAAH-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512649 599621383 /nfs/dbraw/zinc/62/13/83/599621383.db2.gz MONCCMMWVBDAAH-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000822419026 599623096 /nfs/dbraw/zinc/62/30/96/599623096.db2.gz LILCTYRMCLRNIG-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000822419026 599623097 /nfs/dbraw/zinc/62/30/97/599623097.db2.gz LILCTYRMCLRNIG-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820937657 599628601 /nfs/dbraw/zinc/62/86/01/599628601.db2.gz BLGDALASZUIQCH-BPNCWPANSA-N -1 3 377.514 3.857 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820937657 599628602 /nfs/dbraw/zinc/62/86/02/599628602.db2.gz BLGDALASZUIQCH-BPNCWPANSA-N -1 3 377.514 3.857 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000821389894 599628874 /nfs/dbraw/zinc/62/88/74/599628874.db2.gz QWUOZBDWGLQRMN-UHFFFAOYSA-N -1 3 387.440 3.597 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000821389894 599628875 /nfs/dbraw/zinc/62/88/75/599628875.db2.gz QWUOZBDWGLQRMN-UHFFFAOYSA-N -1 3 387.440 3.597 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823303483 599629794 /nfs/dbraw/zinc/62/97/94/599629794.db2.gz JXXLUAWFZMUEAV-JXFKEZNVSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823303483 599629795 /nfs/dbraw/zinc/62/97/95/599629795.db2.gz JXXLUAWFZMUEAV-JXFKEZNVSA-N -1 3 379.851 3.753 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822232792 599630018 /nfs/dbraw/zinc/63/00/18/599630018.db2.gz BDMBJHYLJLWRKG-FUHWJXTLSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822232792 599630019 /nfs/dbraw/zinc/63/00/19/599630019.db2.gz BDMBJHYLJLWRKG-FUHWJXTLSA-N -1 3 397.866 3.935 20 0 GHADHM O=C([C@H]1CCCS1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822917104 599632349 /nfs/dbraw/zinc/63/23/49/599632349.db2.gz NNFHAWVPVXXYJA-QGZVFWFLSA-N -1 3 399.907 3.949 20 0 GHADHM O=C([C@H]1CCCS1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822917104 599632350 /nfs/dbraw/zinc/63/23/50/599632350.db2.gz NNFHAWVPVXXYJA-QGZVFWFLSA-N -1 3 399.907 3.949 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820299701 599633309 /nfs/dbraw/zinc/63/33/09/599633309.db2.gz JMBCNDYIZNXADY-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820299701 599633310 /nfs/dbraw/zinc/63/33/10/599633310.db2.gz JMBCNDYIZNXADY-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)o1 ZINC000822388774 599637249 /nfs/dbraw/zinc/63/72/49/599637249.db2.gz AMPSTSCVONPOPU-UHFFFAOYSA-N -1 3 378.411 3.505 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)o1 ZINC000822388774 599637250 /nfs/dbraw/zinc/63/72/50/599637250.db2.gz AMPSTSCVONPOPU-UHFFFAOYSA-N -1 3 378.411 3.505 20 0 GHADHM CCCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000821109343 599638407 /nfs/dbraw/zinc/63/84/07/599638407.db2.gz IKXKZMXQHIGBNK-UHFFFAOYSA-N -1 3 395.854 3.987 20 0 GHADHM CCCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000821109343 599638408 /nfs/dbraw/zinc/63/84/08/599638408.db2.gz IKXKZMXQHIGBNK-UHFFFAOYSA-N -1 3 395.854 3.987 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820967168 599648119 /nfs/dbraw/zinc/64/81/19/599648119.db2.gz LERAEDBWAAZVLR-IUODEOHRSA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820967168 599648120 /nfs/dbraw/zinc/64/81/20/599648120.db2.gz LERAEDBWAAZVLR-IUODEOHRSA-N -1 3 397.508 3.566 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820069313 599652735 /nfs/dbraw/zinc/65/27/35/599652735.db2.gz ZVMGAIWBVOQTEU-OAHLLOKOSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820069313 599652736 /nfs/dbraw/zinc/65/27/36/599652736.db2.gz ZVMGAIWBVOQTEU-OAHLLOKOSA-N -1 3 395.463 3.547 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820902267 599661505 /nfs/dbraw/zinc/66/15/05/599661505.db2.gz IUBDVOCZJFERFK-CQSZACIVSA-N -1 3 396.451 3.566 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820902267 599661506 /nfs/dbraw/zinc/66/15/06/599661506.db2.gz IUBDVOCZJFERFK-CQSZACIVSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357770 599666456 /nfs/dbraw/zinc/66/64/56/599666456.db2.gz JUDGAWMFALNBER-AUUYWEPGSA-N -1 3 388.431 3.610 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357770 599666457 /nfs/dbraw/zinc/66/64/57/599666457.db2.gz JUDGAWMFALNBER-AUUYWEPGSA-N -1 3 388.431 3.610 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822230285 599667307 /nfs/dbraw/zinc/66/73/07/599667307.db2.gz BIHHEAGETBNACP-KUHUBIRLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822230285 599667308 /nfs/dbraw/zinc/66/73/08/599667308.db2.gz BIHHEAGETBNACP-KUHUBIRLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299746 599668334 /nfs/dbraw/zinc/66/83/34/599668334.db2.gz UCBMLNOFCSJONX-HXUWFJFHSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299746 599668335 /nfs/dbraw/zinc/66/83/35/599668335.db2.gz UCBMLNOFCSJONX-HXUWFJFHSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233204 599669168 /nfs/dbraw/zinc/66/91/68/599669168.db2.gz KKRJVDDZIAYUCH-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233204 599669169 /nfs/dbraw/zinc/66/91/69/599669169.db2.gz KKRJVDDZIAYUCH-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccc2cnccc21 ZINC000823375656 599690293 /nfs/dbraw/zinc/69/02/93/599690293.db2.gz DDBDKHDNJLLHPX-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccc2cnccc21 ZINC000823375656 599690294 /nfs/dbraw/zinc/69/02/94/599690294.db2.gz DDBDKHDNJLLHPX-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820067819 599693472 /nfs/dbraw/zinc/69/34/72/599693472.db2.gz LXENJAGUEJCNAM-LLVKDONJSA-N -1 3 382.390 3.785 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820067819 599693473 /nfs/dbraw/zinc/69/34/73/599693473.db2.gz LXENJAGUEJCNAM-LLVKDONJSA-N -1 3 382.390 3.785 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1C(C)(C)C1(C)C ZINC000822211850 599697367 /nfs/dbraw/zinc/69/73/67/599697367.db2.gz QICCPNCYJXNBCZ-UHFFFAOYSA-N -1 3 392.463 3.983 20 0 GHADHM O=C([O-])c1ccc(F)c(NC(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000740140483 599757250 /nfs/dbraw/zinc/75/72/50/599757250.db2.gz IFRIPEQGMLWSCL-UHFFFAOYSA-N -1 3 399.466 3.696 20 0 GHADHM CC(C)OCc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000824314789 607392464 /nfs/dbraw/zinc/39/24/64/607392464.db2.gz GKDFCYCWOGBVIN-UHFFFAOYSA-N -1 3 392.463 3.603 20 0 GHADHM CC(C)OCc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000824314789 607392466 /nfs/dbraw/zinc/39/24/66/607392466.db2.gz GKDFCYCWOGBVIN-UHFFFAOYSA-N -1 3 392.463 3.603 20 0 GHADHM C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662943 599792474 /nfs/dbraw/zinc/79/24/74/599792474.db2.gz VMWDPSCGMIHCPE-VBKZILBWSA-N -1 3 384.451 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000820159911 607397926 /nfs/dbraw/zinc/39/79/26/607397926.db2.gz BLOWBUCMNYCWTC-AWEZNQCLSA-N -1 3 393.447 3.549 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000820159911 607397927 /nfs/dbraw/zinc/39/79/27/607397927.db2.gz BLOWBUCMNYCWTC-AWEZNQCLSA-N -1 3 393.447 3.549 20 0 GHADHM CC[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000736905939 599829479 /nfs/dbraw/zinc/82/94/79/599829479.db2.gz VUUOLZTWANEZIJ-NRFANRHFSA-N -1 3 395.503 3.662 20 0 GHADHM Cc1oc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C(=O)[O-] ZINC000574763492 599851619 /nfs/dbraw/zinc/85/16/19/599851619.db2.gz UWEKUWFYSIJIRB-AWEZNQCLSA-N -1 3 385.395 3.855 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000826252616 607403049 /nfs/dbraw/zinc/40/30/49/607403049.db2.gz KTDRVVOYQBXSHM-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000826252616 607403050 /nfs/dbraw/zinc/40/30/50/607403050.db2.gz KTDRVVOYQBXSHM-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737370404 599934511 /nfs/dbraw/zinc/93/45/11/599934511.db2.gz QFLBIVQTJVFNHI-UHFFFAOYSA-N -1 3 375.856 3.634 20 0 GHADHM O=C([O-])CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000739659233 599952180 /nfs/dbraw/zinc/95/21/80/599952180.db2.gz LGXANVITZXTNIW-PZJWPPBQSA-N -1 3 398.478 3.760 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(Cl)cccc1Cl ZINC000821745277 607411190 /nfs/dbraw/zinc/41/11/90/607411190.db2.gz NAHKQULDGFYYTE-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(Cl)cccc1Cl ZINC000821745277 607411192 /nfs/dbraw/zinc/41/11/92/607411192.db2.gz NAHKQULDGFYYTE-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000736716716 600077387 /nfs/dbraw/zinc/07/73/87/600077387.db2.gz JNPBGWSKYAPVJY-UONOGXRCSA-N -1 3 389.427 3.712 20 0 GHADHM COc1ccc(C)cc1CN[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000737974182 600079797 /nfs/dbraw/zinc/07/97/97/600079797.db2.gz YTZORVXINICQNL-SFHVURJKSA-N -1 3 378.266 3.856 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826420711 607419378 /nfs/dbraw/zinc/41/93/78/607419378.db2.gz YOPXFOPVMQOATD-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826420711 607419380 /nfs/dbraw/zinc/41/93/80/607419380.db2.gz YOPXFOPVMQOATD-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(-c2ccccc2F)o1 ZINC000826427980 607420227 /nfs/dbraw/zinc/42/02/27/607420227.db2.gz JZXBAPPSQZDEMV-UHFFFAOYSA-N -1 3 389.390 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(-c2ccccc2F)o1 ZINC000826427980 607420229 /nfs/dbraw/zinc/42/02/29/607420229.db2.gz JZXBAPPSQZDEMV-UHFFFAOYSA-N -1 3 389.390 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(OC2CCCC2)c1 ZINC000826428332 607420413 /nfs/dbraw/zinc/42/04/13/607420413.db2.gz YQOBTSZGXFAFGE-UHFFFAOYSA-N -1 3 389.459 3.607 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(OC2CCCC2)c1 ZINC000826428332 607420414 /nfs/dbraw/zinc/42/04/14/607420414.db2.gz YQOBTSZGXFAFGE-UHFFFAOYSA-N -1 3 389.459 3.607 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(-c2ccco2)s1 ZINC000826427926 607422915 /nfs/dbraw/zinc/42/29/15/607422915.db2.gz HQAYFBPLAAJKFF-UHFFFAOYSA-N -1 3 377.429 3.607 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(-c2ccco2)s1 ZINC000826427926 607422918 /nfs/dbraw/zinc/42/29/18/607422918.db2.gz HQAYFBPLAAJKFF-UHFFFAOYSA-N -1 3 377.429 3.607 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(Cl)sc1Cl ZINC000826428347 607423725 /nfs/dbraw/zinc/42/37/25/607423725.db2.gz ZDQJPBZQCLQCFB-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(Cl)sc1Cl ZINC000826428347 607423726 /nfs/dbraw/zinc/42/37/26/607423726.db2.gz ZDQJPBZQCLQCFB-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C([O-])CCc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000739763196 600149550 /nfs/dbraw/zinc/14/95/50/600149550.db2.gz KAJRCRABNSJVCU-UHFFFAOYSA-N -1 3 397.544 3.655 20 0 GHADHM O=C([O-])C1(NCc2coc(-c3ccc(Br)cc3)n2)CCCCC1 ZINC000739513685 600149766 /nfs/dbraw/zinc/14/97/66/600149766.db2.gz KCNVTESPFLUVSZ-UHFFFAOYSA-N -1 3 379.254 3.981 20 0 GHADHM CC[C@](NCc1cc2c(c(Br)c1)OCO2)(C(=O)[O-])c1ccccc1 ZINC000736915988 600303909 /nfs/dbraw/zinc/30/39/09/600303909.db2.gz GORHTHXWLNUDCP-GOSISDBHSA-N -1 3 392.249 3.658 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825160267 607437902 /nfs/dbraw/zinc/43/79/02/607437902.db2.gz YMHBJBCZVLGKSD-SFHVURJKSA-N -1 3 379.464 3.811 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825160267 607437903 /nfs/dbraw/zinc/43/79/03/607437903.db2.gz YMHBJBCZVLGKSD-SFHVURJKSA-N -1 3 379.464 3.811 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(Cl)c1 ZINC000739468113 600432539 /nfs/dbraw/zinc/43/25/39/600432539.db2.gz FXBNTZBXGVYUMO-LJQANCHMSA-N -1 3 395.846 3.903 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826286330 607446114 /nfs/dbraw/zinc/44/61/14/607446114.db2.gz YVNATLJJYSVMPM-VQTJNVASSA-N -1 3 392.459 3.695 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826286330 607446115 /nfs/dbraw/zinc/44/61/15/607446115.db2.gz YVNATLJJYSVMPM-VQTJNVASSA-N -1 3 392.459 3.695 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812813 607442078 /nfs/dbraw/zinc/44/20/78/607442078.db2.gz UYKHUEDLPPVDEQ-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812813 607442079 /nfs/dbraw/zinc/44/20/79/607442079.db2.gz UYKHUEDLPPVDEQ-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1 ZINC000825132829 607447839 /nfs/dbraw/zinc/44/78/39/607447839.db2.gz DMMHOZLDTPNEAG-QGZVFWFLSA-N -1 3 396.882 3.960 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000825132829 607447840 /nfs/dbraw/zinc/44/78/40/607447840.db2.gz DMMHOZLDTPNEAG-QGZVFWFLSA-N -1 3 396.882 3.960 20 0 GHADHM COc1ccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000737958062 600501362 /nfs/dbraw/zinc/50/13/62/600501362.db2.gz WKCHARYBTGZYGB-HXUWFJFHSA-N -1 3 397.475 3.660 20 0 GHADHM C[C@H](Cn1cccn1)NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000736630447 600522841 /nfs/dbraw/zinc/52/28/41/600522841.db2.gz WBPNRIMCJNKQNA-MRXNPFEDSA-N -1 3 386.455 3.975 20 0 GHADHM C[C@@H](N[C@H](C)c1csc2ccccc21)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662122 600523705 /nfs/dbraw/zinc/52/37/05/600523705.db2.gz MASBKRRJLHNWDP-ZIAGYGMSSA-N -1 3 382.485 3.955 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000820534677 607450879 /nfs/dbraw/zinc/45/08/79/607450879.db2.gz MVQJKIIFNCEBIE-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000820534677 607450880 /nfs/dbraw/zinc/45/08/80/607450880.db2.gz MVQJKIIFNCEBIE-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Br)c1 ZINC000826457307 607793535 /nfs/dbraw/zinc/79/35/35/607793535.db2.gz VQFRKGZQLIYIBU-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Br)c1 ZINC000826457307 607793536 /nfs/dbraw/zinc/79/35/36/607793536.db2.gz VQFRKGZQLIYIBU-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Fc1cc2nc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3F)[nH]c2cc1F ZINC000822753972 607458548 /nfs/dbraw/zinc/45/85/48/607458548.db2.gz URIJJETZNPCHAZ-YCRREMRBSA-N -1 3 376.729 3.897 20 0 GHADHM Fc1cc2nc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3F)[nH]c2cc1F ZINC000822753972 607458550 /nfs/dbraw/zinc/45/85/50/607458550.db2.gz URIJJETZNPCHAZ-YCRREMRBSA-N -1 3 376.729 3.897 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736813618 600747440 /nfs/dbraw/zinc/74/74/40/600747440.db2.gz FNCVEIKAAGQNEF-QGZVFWFLSA-N -1 3 396.491 3.583 20 0 GHADHM CCOc1ccc(-c2nc(CSc3cc(-c4nnn[n-]4)ccn3)co2)cc1 ZINC000821400230 607466175 /nfs/dbraw/zinc/46/61/75/607466175.db2.gz HSPLDLDUFSGFME-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCOc1ccc(-c2nc(CSc3cc(-c4nn[n-]n4)ccn3)co2)cc1 ZINC000821400230 607466177 /nfs/dbraw/zinc/46/61/77/607466177.db2.gz HSPLDLDUFSGFME-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM O=C([O-])C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cccc(Cl)c1 ZINC000833200188 600800206 /nfs/dbraw/zinc/80/02/06/600800206.db2.gz JHYKEGDPGNGXAY-LJQANCHMSA-N -1 3 386.879 3.882 20 0 GHADHM Cc1cccc(NC[C@@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000832970185 600832210 /nfs/dbraw/zinc/83/22/10/600832210.db2.gz DPKOFHCXBSCUBS-HNNXBMFYSA-N -1 3 389.883 3.554 20 0 GHADHM c1cc(-c2nn[n-]n2)ccc1OCCSCc1noc(C2CCCCC2)n1 ZINC000823742373 607475985 /nfs/dbraw/zinc/47/59/85/607475985.db2.gz DMHQUDUMFWUGSS-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM CN(CCCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830773356 601014402 /nfs/dbraw/zinc/01/44/02/601014402.db2.gz VHPHJVVRJAIUJA-AWEZNQCLSA-N -1 3 391.295 3.966 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000826055263 601203248 /nfs/dbraw/zinc/20/32/48/601203248.db2.gz XQJBLFMYZANIES-PXAZEXFGSA-N -1 3 380.366 3.696 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000826054737 601206078 /nfs/dbraw/zinc/20/60/78/601206078.db2.gz PUNHLULKZCWLAA-MEDUHNTESA-N -1 3 381.259 3.984 20 0 GHADHM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(N2CCCC2)c1 ZINC000827727669 601500240 /nfs/dbraw/zinc/50/02/40/601500240.db2.gz KYPIXJCZJMESRX-KSSFIOAISA-N -1 3 399.516 3.503 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000826044754 601651051 /nfs/dbraw/zinc/65/10/51/601651051.db2.gz KZLXBCBEPMTZKM-MBSDFSHPSA-N -1 3 394.515 3.519 20 0 GHADHM Cc1ccc(CN(C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832930527 601653023 /nfs/dbraw/zinc/65/30/23/601653023.db2.gz LAGZOGWVOBNTOS-VGOFRKELSA-N -1 3 380.488 3.538 20 0 GHADHM Cc1ccc([C@H](NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832923799 601653062 /nfs/dbraw/zinc/65/30/62/601653062.db2.gz DXRBXJBKOVKWFH-USCONSEESA-N -1 3 380.488 3.614 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000832914113 601854322 /nfs/dbraw/zinc/85/43/22/601854322.db2.gz AOXHPIHDOKMBAR-JKSUJKDBSA-N -1 3 392.459 3.557 20 0 GHADHM COc1ccc(CSCc2coc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826207971 607534656 /nfs/dbraw/zinc/53/46/56/607534656.db2.gz MQZPNYNISNYAFN-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1ccc(CSCc2coc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826207971 607534658 /nfs/dbraw/zinc/53/46/58/607534658.db2.gz MQZPNYNISNYAFN-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](NC[C@@H]2CCCN(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000740134570 602000356 /nfs/dbraw/zinc/00/03/56/602000356.db2.gz NNKUZEFOZLCLSI-PXNSSMCTSA-N -1 3 381.476 3.654 20 0 GHADHM COc1ccc(CSc2nnc(-c3cccc(C)c3)o2)cc1-c1nnn[n-]1 ZINC000826207829 607540338 /nfs/dbraw/zinc/54/03/38/607540338.db2.gz GNJZSJHGPMODQH-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(CSc2nnc(-c3cccc(C)c3)o2)cc1-c1nn[n-]n1 ZINC000826207829 607540340 /nfs/dbraw/zinc/54/03/40/607540340.db2.gz GNJZSJHGPMODQH-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])N(C)C)cc1 ZINC000739544621 602281141 /nfs/dbraw/zinc/28/11/41/602281141.db2.gz UONHGYKJVGLKMF-FQEVSTJZSA-N -1 3 396.491 3.714 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000832925782 602330616 /nfs/dbraw/zinc/33/06/16/602330616.db2.gz CYEBOYBXBOKHOC-HXUWFJFHSA-N -1 3 381.476 3.847 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000830513885 602364354 /nfs/dbraw/zinc/36/43/54/602364354.db2.gz JDEKVEZRVQOQCA-IBGZPJMESA-N -1 3 382.464 3.539 20 0 GHADHM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000738817703 602406816 /nfs/dbraw/zinc/40/68/16/602406816.db2.gz SUUFBAQCQJKRDE-DOTOQJQBSA-N -1 3 390.459 3.943 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825028885 607577460 /nfs/dbraw/zinc/57/74/60/607577460.db2.gz LBMMSNWCKNSYGD-RHIYTYFCSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825028885 607577462 /nfs/dbraw/zinc/57/74/62/607577462.db2.gz LBMMSNWCKNSYGD-RHIYTYFCSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825028390 607577130 /nfs/dbraw/zinc/57/71/30/607577130.db2.gz HQEVAWIBISYHLS-JNINTMOKSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825028390 607577132 /nfs/dbraw/zinc/57/71/32/607577132.db2.gz HQEVAWIBISYHLS-JNINTMOKSA-N -1 3 377.448 3.546 20 0 GHADHM CC(C)[C@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)NC(=O)[O-] ZINC000738790752 602790092 /nfs/dbraw/zinc/79/00/92/602790092.db2.gz AVZURWWLKIQVDS-SFHVURJKSA-N -1 3 389.883 3.974 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000740708122 603038578 /nfs/dbraw/zinc/03/85/78/603038578.db2.gz YZZSLOGNGCRKMN-UHFFFAOYSA-N -1 3 378.448 3.645 20 0 GHADHM CCN(CC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1)C(=O)[O-] ZINC000827100340 603504800 /nfs/dbraw/zinc/50/48/00/603504800.db2.gz YQLOEDOGTPCSBL-UHFFFAOYSA-N -1 3 383.492 3.873 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000826182093 607642772 /nfs/dbraw/zinc/64/27/72/607642772.db2.gz ZRNVBYSPJLYESR-GFCCVEGCSA-N -1 3 380.477 3.678 20 0 GHADHM COc1ccc(Cc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1OC ZINC000826208296 607644760 /nfs/dbraw/zinc/64/47/60/607644760.db2.gz CTSAWDPBCLWWGE-UHFFFAOYSA-N -1 3 379.445 3.598 20 0 GHADHM COc1ccc(Cc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1OC ZINC000826208296 607644762 /nfs/dbraw/zinc/64/47/62/607644762.db2.gz CTSAWDPBCLWWGE-UHFFFAOYSA-N -1 3 379.445 3.598 20 0 GHADHM CC(C)c1cccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000824347764 607646841 /nfs/dbraw/zinc/64/68/41/607646841.db2.gz NBOYXFWCRCWEKH-UHFFFAOYSA-N -1 3 378.505 3.966 20 0 GHADHM CC(C)c1cccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000824347764 607646843 /nfs/dbraw/zinc/64/68/43/607646843.db2.gz NBOYXFWCRCWEKH-UHFFFAOYSA-N -1 3 378.505 3.966 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000826244061 607662931 /nfs/dbraw/zinc/66/29/31/607662931.db2.gz FZNIQUYYLYVFAE-ACJLOTCBSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000826244061 607662934 /nfs/dbraw/zinc/66/29/34/607662934.db2.gz FZNIQUYYLYVFAE-ACJLOTCBSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826316059 607684350 /nfs/dbraw/zinc/68/43/50/607684350.db2.gz BTIWKNXQKWSWTP-QWRGUYRKSA-N -1 3 391.403 3.580 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826316059 607684353 /nfs/dbraw/zinc/68/43/53/607684353.db2.gz BTIWKNXQKWSWTP-QWRGUYRKSA-N -1 3 391.403 3.580 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832310899 604319205 /nfs/dbraw/zinc/31/92/05/604319205.db2.gz KFJXZGKBVOAPOL-IBGZPJMESA-N -1 3 399.491 3.730 20 0 GHADHM C[C@](NCc1csc(-c2ccc(Br)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741283 604436607 /nfs/dbraw/zinc/43/66/07/604436607.db2.gz KNZCUESHEOYWQW-MRXNPFEDSA-N -1 3 381.295 3.916 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCCC(F)(F)F ZINC000824207211 607703617 /nfs/dbraw/zinc/70/36/17/607703617.db2.gz RRIWSUHWBIWFRW-CQSZACIVSA-N -1 3 386.374 3.546 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCCC(F)(F)F ZINC000824207211 607703618 /nfs/dbraw/zinc/70/36/18/607703618.db2.gz RRIWSUHWBIWFRW-CQSZACIVSA-N -1 3 386.374 3.546 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC2 ZINC000833772192 604648202 /nfs/dbraw/zinc/64/82/02/604648202.db2.gz ZOXXCRDVRXZAMN-SJORKVTESA-N -1 3 379.884 3.585 20 0 GHADHM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833407871 604931776 /nfs/dbraw/zinc/93/17/76/604931776.db2.gz DHLREISVEQYDGD-OCCSQVGLSA-N -1 3 386.414 3.855 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000833420909 604945704 /nfs/dbraw/zinc/94/57/04/604945704.db2.gz BZMQUGMRBREVJA-FNODVLLQSA-N -1 3 392.348 3.924 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826283313 607726916 /nfs/dbraw/zinc/72/69/16/607726916.db2.gz OHAZTYKQJDIILM-UHFFFAOYSA-N -1 3 397.454 3.523 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826283313 607726918 /nfs/dbraw/zinc/72/69/18/607726918.db2.gz OHAZTYKQJDIILM-UHFFFAOYSA-N -1 3 397.454 3.523 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824394884 607733377 /nfs/dbraw/zinc/73/33/77/607733377.db2.gz ZOHXCPFLWCVOLN-ZANVPECISA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824394884 607733378 /nfs/dbraw/zinc/73/33/78/607733378.db2.gz ZOHXCPFLWCVOLN-ZANVPECISA-N -1 3 383.399 3.871 20 0 GHADHM CC(C)N(Cc1ccc(C(=O)[O-])o1)C[C@@H](O)COc1cccc2ccccc21 ZINC000833497065 605155061 /nfs/dbraw/zinc/15/50/61/605155061.db2.gz XPCYLCFFWVYEJN-QGZVFWFLSA-N -1 3 383.444 3.781 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000833414410 605177870 /nfs/dbraw/zinc/17/78/70/605177870.db2.gz RJEYKVUSMPSZRD-QGZVFWFLSA-N -1 3 378.831 3.859 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824353128 607756652 /nfs/dbraw/zinc/75/66/52/607756652.db2.gz YNKNDDKGGQLWIJ-UHFFFAOYSA-N -1 3 391.475 3.565 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824353128 607756653 /nfs/dbraw/zinc/75/66/53/607756653.db2.gz YNKNDDKGGQLWIJ-UHFFFAOYSA-N -1 3 391.475 3.565 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826226448 607762234 /nfs/dbraw/zinc/76/22/34/607762234.db2.gz ZNJGOYAXELVGHJ-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826226448 607762235 /nfs/dbraw/zinc/76/22/35/607762235.db2.gz ZNJGOYAXELVGHJ-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM O=C([O-])NCCCOC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000834238902 605672469 /nfs/dbraw/zinc/67/24/69/605672469.db2.gz VJJDXBXUDLCBMB-UHFFFAOYSA-N -1 3 387.455 3.526 20 0 GHADHM CCOCCC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCC1 ZINC000825589890 607770998 /nfs/dbraw/zinc/77/09/98/607770998.db2.gz LUTLODWRPNLSTB-UHFFFAOYSA-N -1 3 398.492 3.526 20 0 GHADHM CCOCCC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCC1 ZINC000825589890 607770999 /nfs/dbraw/zinc/77/09/99/607770999.db2.gz LUTLODWRPNLSTB-UHFFFAOYSA-N -1 3 398.492 3.526 20 0 GHADHM CCN(C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1)CC(F)(F)F ZINC000833654239 605838670 /nfs/dbraw/zinc/83/86/70/605838670.db2.gz IJIAKDYMBRWKRX-GFCCVEGCSA-N -1 3 378.822 3.744 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820988995 606026894 /nfs/dbraw/zinc/02/68/94/606026894.db2.gz JZWFEBGAZVTURO-FKUVOPGZSA-N -1 3 387.487 3.922 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820988995 606026898 /nfs/dbraw/zinc/02/68/98/606026898.db2.gz JZWFEBGAZVTURO-FKUVOPGZSA-N -1 3 387.487 3.922 20 0 GHADHM Cn1c2ccccc2nc1[C@H](N[C@H]1CCCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833941447 606038356 /nfs/dbraw/zinc/03/83/56/606038356.db2.gz MECLSXFIJLWDHW-FXAWDEMLSA-N -1 3 378.476 3.785 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000820529987 606065068 /nfs/dbraw/zinc/06/50/68/606065068.db2.gz UFDYVVWJEJAPMG-LLVKDONJSA-N -1 3 398.854 3.500 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820825887 606104430 /nfs/dbraw/zinc/10/44/30/606104430.db2.gz GPXVZKFDQOLMTO-OAHLLOKOSA-N -1 3 377.448 3.519 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820825887 606104431 /nfs/dbraw/zinc/10/44/31/606104431.db2.gz GPXVZKFDQOLMTO-OAHLLOKOSA-N -1 3 377.448 3.519 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821043382 606134515 /nfs/dbraw/zinc/13/45/15/606134515.db2.gz OKTLPSJDKZHNBS-SQVRQVGWSA-N -1 3 377.448 3.620 20 0 GHADHM CCCC[C@@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821043382 606134516 /nfs/dbraw/zinc/13/45/16/606134516.db2.gz OKTLPSJDKZHNBS-SQVRQVGWSA-N -1 3 377.448 3.620 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@@H]1CC12CCCC2 ZINC000823350365 606148932 /nfs/dbraw/zinc/14/89/32/606148932.db2.gz KMYHDWXSDRCJJV-INIZCTEOSA-N -1 3 376.420 3.573 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562600 606155991 /nfs/dbraw/zinc/15/59/91/606155991.db2.gz HPBYQKWLUPJENH-LUGWNYHVSA-N -1 3 396.394 3.775 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562600 606155992 /nfs/dbraw/zinc/15/59/92/606155992.db2.gz HPBYQKWLUPJENH-LUGWNYHVSA-N -1 3 396.394 3.775 20 0 GHADHM O=C(CS[C@@H]1CCCCc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823055861 606180143 /nfs/dbraw/zinc/18/01/43/606180143.db2.gz YHTLRGYWEBUZCY-LJQANCHMSA-N -1 3 393.516 3.684 20 0 GHADHM O=C(CS[C@@H]1CCCCc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823055861 606180145 /nfs/dbraw/zinc/18/01/45/606180145.db2.gz YHTLRGYWEBUZCY-LJQANCHMSA-N -1 3 393.516 3.684 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC000820512266 606181893 /nfs/dbraw/zinc/18/18/93/606181893.db2.gz INWKKEZBQKCLKE-UKRRQHHQSA-N -1 3 396.472 3.600 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000820512266 606181895 /nfs/dbraw/zinc/18/18/95/606181895.db2.gz INWKKEZBQKCLKE-UKRRQHHQSA-N -1 3 396.472 3.600 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357103 606193643 /nfs/dbraw/zinc/19/36/43/606193643.db2.gz DUTQMHLCZMZOMF-JMERFSKESA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357103 606193646 /nfs/dbraw/zinc/19/36/46/606193646.db2.gz DUTQMHLCZMZOMF-JMERFSKESA-N -1 3 394.454 3.690 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000822941020 606206490 /nfs/dbraw/zinc/20/64/90/606206490.db2.gz NGGIURSAFBEOIT-HNNXBMFYSA-N -1 3 395.488 3.586 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000822941020 606206491 /nfs/dbraw/zinc/20/64/91/606206491.db2.gz NGGIURSAFBEOIT-HNNXBMFYSA-N -1 3 395.488 3.586 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)n2)c(C)c1 ZINC000822191361 606209188 /nfs/dbraw/zinc/20/91/88/606209188.db2.gz JFQDPIMGKZCNHS-UHFFFAOYSA-N -1 3 393.476 3.506 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)n2)c(C)c1 ZINC000822191361 606209189 /nfs/dbraw/zinc/20/91/89/606209189.db2.gz JFQDPIMGKZCNHS-UHFFFAOYSA-N -1 3 393.476 3.506 20 0 GHADHM COc1ccccc1[C@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821882735 606218730 /nfs/dbraw/zinc/21/87/30/606218730.db2.gz JIMDYXDSUQTGNZ-LJQANCHMSA-N -1 3 377.473 3.816 20 0 GHADHM COc1ccccc1[C@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821882735 606218732 /nfs/dbraw/zinc/21/87/32/606218732.db2.gz JIMDYXDSUQTGNZ-LJQANCHMSA-N -1 3 377.473 3.816 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000821100378 606221242 /nfs/dbraw/zinc/22/12/42/606221242.db2.gz ZCCBRYWDPBDTJE-DTQAZKPQSA-N -1 3 391.475 3.717 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000821100378 606221244 /nfs/dbraw/zinc/22/12/44/606221244.db2.gz ZCCBRYWDPBDTJE-DTQAZKPQSA-N -1 3 391.475 3.717 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822211958 606236095 /nfs/dbraw/zinc/23/60/95/606236095.db2.gz VOIKRVBAMORIJB-MSOLQXFVSA-N -1 3 375.432 3.952 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822211958 606236098 /nfs/dbraw/zinc/23/60/98/606236098.db2.gz VOIKRVBAMORIJB-MSOLQXFVSA-N -1 3 375.432 3.952 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820643529 606249569 /nfs/dbraw/zinc/24/95/69/606249569.db2.gz WXRXBJSTBQHFNV-PBHICJAKSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820643529 606249571 /nfs/dbraw/zinc/24/95/71/606249571.db2.gz WXRXBJSTBQHFNV-PBHICJAKSA-N -1 3 393.495 3.833 20 0 GHADHM CCOCCN(CC)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821379019 606272395 /nfs/dbraw/zinc/27/23/95/606272395.db2.gz ZPLRIVMOAPZQOM-UHFFFAOYSA-N -1 3 397.504 3.517 20 0 GHADHM CCOCCN(CC)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821379019 606272397 /nfs/dbraw/zinc/27/23/97/606272397.db2.gz ZPLRIVMOAPZQOM-UHFFFAOYSA-N -1 3 397.504 3.517 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000821119344 606281710 /nfs/dbraw/zinc/28/17/10/606281710.db2.gz XSTKUKLRUHSLAF-CQSZACIVSA-N -1 3 392.463 3.536 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC000821123460 606282110 /nfs/dbraw/zinc/28/21/10/606282110.db2.gz UDCFPHOPORHRSM-UHFFFAOYSA-N -1 3 394.479 3.657 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000821123449 606283259 /nfs/dbraw/zinc/28/32/59/606283259.db2.gz TUINZJXSPPCELB-UHFFFAOYSA-N -1 3 380.383 3.826 20 0 GHADHM CC1(C)CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000820601340 606294973 /nfs/dbraw/zinc/29/49/73/606294973.db2.gz IPQFHVCWVTUFDJ-UHFFFAOYSA-N -1 3 379.489 3.501 20 0 GHADHM CC1(C)CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000820601340 606294975 /nfs/dbraw/zinc/29/49/75/606294975.db2.gz IPQFHVCWVTUFDJ-UHFFFAOYSA-N -1 3 379.489 3.501 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000820555018 606324022 /nfs/dbraw/zinc/32/40/22/606324022.db2.gz DVHNIQRBYSTPRW-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000820555018 606324024 /nfs/dbraw/zinc/32/40/24/606324024.db2.gz DVHNIQRBYSTPRW-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820870258 606324639 /nfs/dbraw/zinc/32/46/39/606324639.db2.gz PWEKRXXCYJGFAX-AWEZNQCLSA-N -1 3 383.452 3.547 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820870258 606324641 /nfs/dbraw/zinc/32/46/41/606324641.db2.gz PWEKRXXCYJGFAX-AWEZNQCLSA-N -1 3 383.452 3.547 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820870437 606333992 /nfs/dbraw/zinc/33/39/92/606333992.db2.gz SMZUVGAFPLCQGW-CYBMUJFWSA-N -1 3 399.524 3.814 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820870437 606333993 /nfs/dbraw/zinc/33/39/93/606333993.db2.gz SMZUVGAFPLCQGW-CYBMUJFWSA-N -1 3 399.524 3.814 20 0 GHADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519109 606339036 /nfs/dbraw/zinc/33/90/36/606339036.db2.gz PKAYGQRNNOBXHH-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519109 606339037 /nfs/dbraw/zinc/33/90/37/606339037.db2.gz PKAYGQRNNOBXHH-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512780 606347426 /nfs/dbraw/zinc/34/74/26/606347426.db2.gz ONOHQRFRRUZEOF-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512780 606347427 /nfs/dbraw/zinc/34/74/27/606347427.db2.gz ONOHQRFRRUZEOF-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494880 606347642 /nfs/dbraw/zinc/34/76/42/606347642.db2.gz CTKLTFQPOMMPLR-GFCCVEGCSA-N -1 3 388.374 3.608 20 0 GHADHM C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494880 606347644 /nfs/dbraw/zinc/34/76/44/606347644.db2.gz CTKLTFQPOMMPLR-GFCCVEGCSA-N -1 3 388.374 3.608 20 0 GHADHM CSc1nc(C(C)C)nc(C)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821988465 606348178 /nfs/dbraw/zinc/34/81/78/606348178.db2.gz DQZISENFXALRFJ-GFCCVEGCSA-N -1 3 398.492 3.728 20 0 GHADHM CSc1nc(C(C)C)nc(C)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821988465 606348180 /nfs/dbraw/zinc/34/81/80/606348180.db2.gz DQZISENFXALRFJ-GFCCVEGCSA-N -1 3 398.492 3.728 20 0 GHADHM C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507707 606351136 /nfs/dbraw/zinc/35/11/36/606351136.db2.gz JOTAESPWIJEYEV-ZETCQYMHSA-N -1 3 382.182 3.626 20 0 GHADHM C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507707 606351137 /nfs/dbraw/zinc/35/11/37/606351137.db2.gz JOTAESPWIJEYEV-ZETCQYMHSA-N -1 3 382.182 3.626 20 0 GHADHM O=C(/C=C\C1CCOCC1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822922543 606361817 /nfs/dbraw/zinc/36/18/17/606361817.db2.gz HFMPYUSJIMMNRD-LAFDYMOFSA-N -1 3 392.415 3.547 20 0 GHADHM O=C(/C=C\C1CCOCC1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822922543 606361819 /nfs/dbraw/zinc/36/18/19/606361819.db2.gz HFMPYUSJIMMNRD-LAFDYMOFSA-N -1 3 392.415 3.547 20 0 GHADHM CN(C(=O)CCSc1ccccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569820 606411838 /nfs/dbraw/zinc/41/18/38/606411838.db2.gz XDFHHAVERLAEHK-UHFFFAOYSA-N -1 3 391.859 3.804 20 0 GHADHM CN(C(=O)CCSc1ccccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569820 606411839 /nfs/dbraw/zinc/41/18/39/606411839.db2.gz XDFHHAVERLAEHK-UHFFFAOYSA-N -1 3 391.859 3.804 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820401985 606415249 /nfs/dbraw/zinc/41/52/49/606415249.db2.gz AWDKUYXKFGQOAT-VIFPVBQESA-N -1 3 376.848 3.707 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820401985 606415251 /nfs/dbraw/zinc/41/52/51/606415251.db2.gz AWDKUYXKFGQOAT-VIFPVBQESA-N -1 3 376.848 3.707 20 0 GHADHM CC(C)CNC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000820096641 606448106 /nfs/dbraw/zinc/44/81/06/606448106.db2.gz DGMNEWIEMCETKF-UHFFFAOYSA-N -1 3 384.871 3.518 20 0 GHADHM CC(C)CNC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000820096641 606448107 /nfs/dbraw/zinc/44/81/07/606448107.db2.gz DGMNEWIEMCETKF-UHFFFAOYSA-N -1 3 384.871 3.518 20 0 GHADHM CC(C)n1ccnc1COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820214516 606449211 /nfs/dbraw/zinc/44/92/11/606449211.db2.gz GIODAHYZBYLSNB-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM CC(C)n1ccnc1COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820214516 606449213 /nfs/dbraw/zinc/44/92/13/606449213.db2.gz GIODAHYZBYLSNB-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM Cc1nc2ccccc2nc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822463774 606462426 /nfs/dbraw/zinc/46/24/26/606462426.db2.gz WTELJEOSQNOKIZ-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM Cc1nc2ccccc2nc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822463774 606462427 /nfs/dbraw/zinc/46/24/27/606462427.db2.gz WTELJEOSQNOKIZ-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM CN(c1ccccc1)C1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000821619015 606471160 /nfs/dbraw/zinc/47/11/60/606471160.db2.gz FYTPCFNFNYOZFE-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM CN(c1ccccc1)C1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000821619015 606471162 /nfs/dbraw/zinc/47/11/62/606471162.db2.gz FYTPCFNFNYOZFE-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645347 606472526 /nfs/dbraw/zinc/47/25/26/606472526.db2.gz XJWYNRONDOKCBS-SFHVURJKSA-N -1 3 395.463 3.508 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645347 606472528 /nfs/dbraw/zinc/47/25/28/606472528.db2.gz XJWYNRONDOKCBS-SFHVURJKSA-N -1 3 395.463 3.508 20 0 GHADHM C[C@@H](N(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1(C)CC1 ZINC000820307078 606481521 /nfs/dbraw/zinc/48/15/21/606481521.db2.gz IDFAVUJSHGGJGD-GFCCVEGCSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H](N(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1(C)CC1 ZINC000820307078 606481523 /nfs/dbraw/zinc/48/15/23/606481523.db2.gz IDFAVUJSHGGJGD-GFCCVEGCSA-N -1 3 397.508 3.566 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000823472435 606486357 /nfs/dbraw/zinc/48/63/57/606486357.db2.gz MINWVDWZUJQBGE-HNNXBMFYSA-N -1 3 399.526 3.839 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000823472435 606486358 /nfs/dbraw/zinc/48/63/58/606486358.db2.gz MINWVDWZUJQBGE-HNNXBMFYSA-N -1 3 399.526 3.839 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000823465978 606496648 /nfs/dbraw/zinc/49/66/48/606496648.db2.gz DIXATIMQHOYZNN-UHFFFAOYSA-N -1 3 387.371 3.646 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000823465978 606496650 /nfs/dbraw/zinc/49/66/50/606496650.db2.gz DIXATIMQHOYZNN-UHFFFAOYSA-N -1 3 387.371 3.646 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000820206221 606510905 /nfs/dbraw/zinc/51/09/05/606510905.db2.gz FHTSAEJWMNXCQS-UHFFFAOYSA-N -1 3 393.476 3.549 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000820206221 606510906 /nfs/dbraw/zinc/51/09/06/606510906.db2.gz FHTSAEJWMNXCQS-UHFFFAOYSA-N -1 3 393.476 3.549 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C1CCCC1 ZINC000819858180 606527249 /nfs/dbraw/zinc/52/72/49/606527249.db2.gz ZXGJVOBNPJALPW-GFCCVEGCSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C1CCCC1 ZINC000819858180 606527251 /nfs/dbraw/zinc/52/72/51/606527251.db2.gz ZXGJVOBNPJALPW-GFCCVEGCSA-N -1 3 381.402 3.584 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820938323 606539659 /nfs/dbraw/zinc/53/96/59/606539659.db2.gz IMFPTVYHEFSBFR-UXHICEINSA-N -1 3 375.476 3.594 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820938323 606539660 /nfs/dbraw/zinc/53/96/60/606539660.db2.gz IMFPTVYHEFSBFR-UXHICEINSA-N -1 3 375.476 3.594 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CC1CCC1)c1ccccc1 ZINC000823060720 606549758 /nfs/dbraw/zinc/54/97/58/606549758.db2.gz IWVLETDAKGTZDO-UHFFFAOYSA-N -1 3 379.489 3.792 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CC1CCC1)c1ccccc1 ZINC000823060720 606549759 /nfs/dbraw/zinc/54/97/59/606549759.db2.gz IWVLETDAKGTZDO-UHFFFAOYSA-N -1 3 379.489 3.792 20 0 GHADHM Cc1ccccc1COc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822362387 606558567 /nfs/dbraw/zinc/55/85/67/606558567.db2.gz RAKFMVOWWDAGIZ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccccc1COc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822362387 606558569 /nfs/dbraw/zinc/55/85/69/606558569.db2.gz RAKFMVOWWDAGIZ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233361 606576381 /nfs/dbraw/zinc/57/63/81/606576381.db2.gz NDXFUHGZAQUBHG-PMACEKPBSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233361 606576383 /nfs/dbraw/zinc/57/63/83/606576383.db2.gz NDXFUHGZAQUBHG-PMACEKPBSA-N -1 3 375.476 3.512 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821431735 606581040 /nfs/dbraw/zinc/58/10/40/606581040.db2.gz YJCFWSFXVAODGZ-LJQANCHMSA-N -1 3 393.491 3.712 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821431735 606581042 /nfs/dbraw/zinc/58/10/42/606581042.db2.gz YJCFWSFXVAODGZ-LJQANCHMSA-N -1 3 393.491 3.712 20 0 GHADHM C[C@@H](N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1(C)CC1 ZINC000820306997 606585985 /nfs/dbraw/zinc/58/59/85/606585985.db2.gz HYGRVLRYTSEWOA-CYBMUJFWSA-N -1 3 396.520 3.925 20 0 GHADHM CC(=O)c1cc(Cl)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819834033 606588348 /nfs/dbraw/zinc/58/83/48/606588348.db2.gz LBWOFWMNCAOPCK-UHFFFAOYSA-N -1 3 394.765 3.903 20 0 GHADHM CC(=O)c1cc(Cl)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819834033 606588349 /nfs/dbraw/zinc/58/83/49/606588349.db2.gz LBWOFWMNCAOPCK-UHFFFAOYSA-N -1 3 394.765 3.903 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1nc2ccccc2o1 ZINC000822731275 606589640 /nfs/dbraw/zinc/58/96/40/606589640.db2.gz BGWBGFNGYKDZRJ-UHFFFAOYSA-N -1 3 375.360 3.902 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1nc2ccccc2o1 ZINC000822731275 606589642 /nfs/dbraw/zinc/58/96/42/606589642.db2.gz BGWBGFNGYKDZRJ-UHFFFAOYSA-N -1 3 375.360 3.902 20 0 GHADHM CO[C@@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cs1 ZINC000821675262 606593434 /nfs/dbraw/zinc/59/34/34/606593434.db2.gz HMOLZOXOSFJVND-QMMMGPOBSA-N -1 3 384.387 3.662 20 0 GHADHM FC(F)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822733326 606597162 /nfs/dbraw/zinc/59/71/62/606597162.db2.gz YAOGYINNWCIZKI-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM FC(F)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822733326 606597164 /nfs/dbraw/zinc/59/71/64/606597164.db2.gz YAOGYINNWCIZKI-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nc(C2CC2)no1 ZINC000820548454 606598325 /nfs/dbraw/zinc/59/83/25/606598325.db2.gz AAPZKQAOJGPXHO-QMMMGPOBSA-N -1 3 394.407 3.723 20 0 GHADHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1nc(C2CC2)no1 ZINC000820548454 606598327 /nfs/dbraw/zinc/59/83/27/606598327.db2.gz AAPZKQAOJGPXHO-QMMMGPOBSA-N -1 3 394.407 3.723 20 0 GHADHM Cc1cc(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C)[nH]1 ZINC000822168787 606598824 /nfs/dbraw/zinc/59/88/24/606598824.db2.gz SGGQTLYZPBPYDO-UHFFFAOYSA-N -1 3 393.419 3.529 20 0 GHADHM Cc1cc(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(C)[nH]1 ZINC000822168787 606598825 /nfs/dbraw/zinc/59/88/25/606598825.db2.gz SGGQTLYZPBPYDO-UHFFFAOYSA-N -1 3 393.419 3.529 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819764065 606601741 /nfs/dbraw/zinc/60/17/41/606601741.db2.gz DRKXNLIKJCLDLY-BENRWUELSA-N -1 3 385.374 3.534 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819764065 606601742 /nfs/dbraw/zinc/60/17/42/606601742.db2.gz DRKXNLIKJCLDLY-BENRWUELSA-N -1 3 385.374 3.534 20 0 GHADHM CC1CC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)C1 ZINC000820650856 606618553 /nfs/dbraw/zinc/61/85/53/606618553.db2.gz XVKQHSANUKRQDQ-UHFFFAOYSA-N -1 3 379.439 3.581 20 0 GHADHM CC1CC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)C1 ZINC000820650856 606618554 /nfs/dbraw/zinc/61/85/54/606618554.db2.gz XVKQHSANUKRQDQ-UHFFFAOYSA-N -1 3 379.439 3.581 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649023 606628675 /nfs/dbraw/zinc/62/86/75/606628675.db2.gz HLWOBKGUPOVVKR-UTUOFQBUSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649023 606628677 /nfs/dbraw/zinc/62/86/77/606628677.db2.gz HLWOBKGUPOVVKR-UTUOFQBUSA-N -1 3 379.917 3.505 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822478139 606656812 /nfs/dbraw/zinc/65/68/12/606656812.db2.gz RIFVLZGWIFDTSB-LLVKDONJSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822478139 606656813 /nfs/dbraw/zinc/65/68/13/606656813.db2.gz RIFVLZGWIFDTSB-LLVKDONJSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1cc2sc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)nc2c(C)c1 ZINC000822195398 606662867 /nfs/dbraw/zinc/66/28/67/606662867.db2.gz QQJYXCCUNVFWGO-UHFFFAOYSA-N -1 3 386.387 3.624 20 0 GHADHM Cc1cc2sc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)nc2c(C)c1 ZINC000822195398 606662868 /nfs/dbraw/zinc/66/28/68/606662868.db2.gz QQJYXCCUNVFWGO-UHFFFAOYSA-N -1 3 386.387 3.624 20 0 GHADHM O=C(Nc1nc(-c2cccs2)cs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823375890 606664950 /nfs/dbraw/zinc/66/49/50/606664950.db2.gz OEGWEIUBCWTYMO-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1nc(-c2cccs2)cs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823375890 606664951 /nfs/dbraw/zinc/66/49/51/606664951.db2.gz OEGWEIUBCWTYMO-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821220984 606665252 /nfs/dbraw/zinc/66/52/52/606665252.db2.gz HGIAHNXIQRWULY-UHFFFAOYSA-N -1 3 383.811 3.522 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821220984 606665253 /nfs/dbraw/zinc/66/52/53/606665253.db2.gz HGIAHNXIQRWULY-UHFFFAOYSA-N -1 3 383.811 3.522 20 0 GHADHM CCCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821134210 606671984 /nfs/dbraw/zinc/67/19/84/606671984.db2.gz OIVJDHOMFCGMHI-UHFFFAOYSA-N -1 3 393.781 3.839 20 0 GHADHM CCCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821134210 606671985 /nfs/dbraw/zinc/67/19/85/606671985.db2.gz OIVJDHOMFCGMHI-UHFFFAOYSA-N -1 3 393.781 3.839 20 0 GHADHM CC(C)(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000819980230 606672496 /nfs/dbraw/zinc/67/24/96/606672496.db2.gz AAHUPKRFFUYGHU-UHFFFAOYSA-N -1 3 391.809 3.506 20 0 GHADHM CC(C)(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000819980230 606672497 /nfs/dbraw/zinc/67/24/97/606672497.db2.gz AAHUPKRFFUYGHU-UHFFFAOYSA-N -1 3 391.809 3.506 20 0 GHADHM CCCn1ccc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc21 ZINC000821149344 606675147 /nfs/dbraw/zinc/67/51/47/606675147.db2.gz VXVFZAAUTLICFV-UHFFFAOYSA-N -1 3 382.374 3.762 20 0 GHADHM CCCn1ccc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc21 ZINC000821149344 606675148 /nfs/dbraw/zinc/67/51/48/606675148.db2.gz VXVFZAAUTLICFV-UHFFFAOYSA-N -1 3 382.374 3.762 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000820612849 606686530 /nfs/dbraw/zinc/68/65/30/606686530.db2.gz LILSBELMNKIRSR-NRFANRHFSA-N -1 3 397.429 3.630 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820612849 606686531 /nfs/dbraw/zinc/68/65/31/606686531.db2.gz LILSBELMNKIRSR-NRFANRHFSA-N -1 3 397.429 3.630 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(OC[C@@H]2CCOC2)c1 ZINC000822238305 606726320 /nfs/dbraw/zinc/72/63/20/606726320.db2.gz AVNZFNRCONIGSW-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(OC[C@@H]2CCOC2)c1 ZINC000822238305 606726321 /nfs/dbraw/zinc/72/63/21/606726321.db2.gz AVNZFNRCONIGSW-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM COCCC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1 ZINC000821686276 606731029 /nfs/dbraw/zinc/73/10/29/606731029.db2.gz HZXXPVAOVMNXFA-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM COCCC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000821686276 606731031 /nfs/dbraw/zinc/73/10/31/606731031.db2.gz HZXXPVAOVMNXFA-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360322 606743313 /nfs/dbraw/zinc/74/33/13/606743313.db2.gz YDGFFOJEMGENBT-SUMWQHHRSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360322 606743315 /nfs/dbraw/zinc/74/33/15/606743315.db2.gz YDGFFOJEMGENBT-SUMWQHHRSA-N -1 3 392.463 3.529 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823139591 606749713 /nfs/dbraw/zinc/74/97/13/606749713.db2.gz HVJLCNXCOXXZCW-UHFFFAOYSA-N -1 3 395.850 3.985 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823139591 606749715 /nfs/dbraw/zinc/74/97/15/606749715.db2.gz HVJLCNXCOXXZCW-UHFFFAOYSA-N -1 3 395.850 3.985 20 0 GHADHM Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)cn1 ZINC000822237040 606762752 /nfs/dbraw/zinc/76/27/52/606762752.db2.gz BNLOGJHTTHGLRB-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820971743 606790542 /nfs/dbraw/zinc/79/05/42/606790542.db2.gz FJTUVUBBWJHPQP-QAPCUYQASA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820971743 606790544 /nfs/dbraw/zinc/79/05/44/606790544.db2.gz FJTUVUBBWJHPQP-QAPCUYQASA-N -1 3 379.420 3.555 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)cc1 ZINC000822138078 606798072 /nfs/dbraw/zinc/79/80/72/606798072.db2.gz ZPZZPQZGAYSLOG-DZGCQCFKSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)cc1 ZINC000822138078 606798074 /nfs/dbraw/zinc/79/80/74/606798074.db2.gz ZPZZPQZGAYSLOG-DZGCQCFKSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230378 606807718 /nfs/dbraw/zinc/80/77/18/606807718.db2.gz DXMVOBUKKWBSEU-LJQANCHMSA-N -1 3 393.516 3.939 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230378 606807719 /nfs/dbraw/zinc/80/77/19/606807719.db2.gz DXMVOBUKKWBSEU-LJQANCHMSA-N -1 3 393.516 3.939 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823176693 606834903 /nfs/dbraw/zinc/83/49/03/606834903.db2.gz WTUGQFQSFFQQTI-KRWDZBQOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823176693 606834904 /nfs/dbraw/zinc/83/49/04/606834904.db2.gz WTUGQFQSFFQQTI-KRWDZBQOSA-N -1 3 396.476 3.676 20 0 GHADHM CCc1noc(C)c1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000821554571 606860070 /nfs/dbraw/zinc/86/00/70/606860070.db2.gz OOGKLOGXNPMRSQ-UHFFFAOYSA-N -1 3 377.408 3.525 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000819976171 606862089 /nfs/dbraw/zinc/86/20/89/606862089.db2.gz PDOWYQYNHWETRP-UHFFFAOYSA-N -1 3 387.447 3.738 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000819976171 606862091 /nfs/dbraw/zinc/86/20/91/606862091.db2.gz PDOWYQYNHWETRP-UHFFFAOYSA-N -1 3 387.447 3.738 20 0 GHADHM CC(C)CN(C(=O)COC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081631 606871431 /nfs/dbraw/zinc/87/14/31/606871431.db2.gz OQLPBELXFOHXQK-RMKNXTFCSA-N -1 3 391.475 3.586 20 0 GHADHM CC(C)CN(C(=O)COC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081631 606871433 /nfs/dbraw/zinc/87/14/33/606871433.db2.gz OQLPBELXFOHXQK-RMKNXTFCSA-N -1 3 391.475 3.586 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000822217592 606906632 /nfs/dbraw/zinc/90/66/32/606906632.db2.gz IQELIYITARSOOA-KRWDZBQOSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000822217592 606906633 /nfs/dbraw/zinc/90/66/33/606906633.db2.gz IQELIYITARSOOA-KRWDZBQOSA-N -1 3 390.447 3.743 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000823690614 606939448 /nfs/dbraw/zinc/93/94/48/606939448.db2.gz PSCNPUHFOCNGKE-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000823690614 606939450 /nfs/dbraw/zinc/93/94/50/606939450.db2.gz PSCNPUHFOCNGKE-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822214089 606947039 /nfs/dbraw/zinc/94/70/39/606947039.db2.gz OYESFJJLUOYHLW-CABCVRRESA-N -1 3 389.463 3.945 20 0 GHADHM C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495602 606952941 /nfs/dbraw/zinc/95/29/41/606952941.db2.gz IMVPTZCORZDJHL-CQSZACIVSA-N -1 3 395.463 3.676 20 0 GHADHM C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495602 606952943 /nfs/dbraw/zinc/95/29/43/606952943.db2.gz IMVPTZCORZDJHL-CQSZACIVSA-N -1 3 395.463 3.676 20 0 GHADHM COCCN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689187 606959758 /nfs/dbraw/zinc/95/97/58/606959758.db2.gz ONLHDLUJQDVOKU-UHFFFAOYSA-N -1 3 385.493 3.519 20 0 GHADHM COCCN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689187 606959759 /nfs/dbraw/zinc/95/97/59/606959759.db2.gz ONLHDLUJQDVOKU-UHFFFAOYSA-N -1 3 385.493 3.519 20 0 GHADHM CCCc1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000821142252 606962284 /nfs/dbraw/zinc/96/22/84/606962284.db2.gz FTTFLQSNLXDIMJ-UHFFFAOYSA-N -1 3 376.873 3.514 20 0 GHADHM CCCc1nc(C)c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000821142252 606962285 /nfs/dbraw/zinc/96/22/85/606962285.db2.gz FTTFLQSNLXDIMJ-UHFFFAOYSA-N -1 3 376.873 3.514 20 0 GHADHM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820111604 606965959 /nfs/dbraw/zinc/96/59/59/606965959.db2.gz BVJOJAGLICJWMZ-UHFFFAOYSA-N -1 3 375.354 3.941 20 0 GHADHM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820111604 606965961 /nfs/dbraw/zinc/96/59/61/606965961.db2.gz BVJOJAGLICJWMZ-UHFFFAOYSA-N -1 3 375.354 3.941 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)[C@@H](C)CO2)c1 ZINC000822231850 606977040 /nfs/dbraw/zinc/97/70/40/606977040.db2.gz JLGHUYVELFCXRH-YWZLYKJASA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)[C@@H](C)CO2)c1 ZINC000822231850 606977042 /nfs/dbraw/zinc/97/70/42/606977042.db2.gz JLGHUYVELFCXRH-YWZLYKJASA-N -1 3 381.455 3.585 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353039 606985182 /nfs/dbraw/zinc/98/51/82/606985182.db2.gz XHQNOKJSCVMJCI-VXGBXAGGSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353039 606985184 /nfs/dbraw/zinc/98/51/84/606985184.db2.gz XHQNOKJSCVMJCI-VXGBXAGGSA-N -1 3 398.417 3.535 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)s2)o1 ZINC000822213870 606995415 /nfs/dbraw/zinc/99/54/15/606995415.db2.gz DWSSQSXYVRCLTO-UHFFFAOYSA-N -1 3 399.407 3.696 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)s2)o1 ZINC000822213870 606995416 /nfs/dbraw/zinc/99/54/16/606995416.db2.gz DWSSQSXYVRCLTO-UHFFFAOYSA-N -1 3 399.407 3.696 20 0 GHADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000819883995 607001595 /nfs/dbraw/zinc/00/15/95/607001595.db2.gz QBOJJSUUVJBKII-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000819883995 607001596 /nfs/dbraw/zinc/00/15/96/607001596.db2.gz QBOJJSUUVJBKII-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000821431547 607006984 /nfs/dbraw/zinc/00/69/84/607006984.db2.gz VGKAMDDNQLUVQM-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000821431547 607006986 /nfs/dbraw/zinc/00/69/86/607006986.db2.gz VGKAMDDNQLUVQM-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Sc3cc(-c4nnn[n-]4)ccn3)o2)cc1C ZINC000822213859 607008515 /nfs/dbraw/zinc/00/85/15/607008515.db2.gz DLYUEUVDMPYAEQ-GFCCVEGCSA-N -1 3 379.449 3.782 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Sc3cc(-c4nn[n-]n4)ccn3)o2)cc1C ZINC000822213859 607008517 /nfs/dbraw/zinc/00/85/17/607008517.db2.gz DLYUEUVDMPYAEQ-GFCCVEGCSA-N -1 3 379.449 3.782 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2ccccc2C1 ZINC000820031135 607011541 /nfs/dbraw/zinc/01/15/41/607011541.db2.gz AHCWFNLRDRTNTN-IBGZPJMESA-N -1 3 393.516 3.568 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2ccccc2C1 ZINC000820031135 607011542 /nfs/dbraw/zinc/01/15/42/607011542.db2.gz AHCWFNLRDRTNTN-IBGZPJMESA-N -1 3 393.516 3.568 20 0 GHADHM COc1cc(Cl)c(C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821716669 607011996 /nfs/dbraw/zinc/01/19/96/607011996.db2.gz DUONRZRXJYFMAK-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM COc1cc(Cl)c(C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821716669 607011997 /nfs/dbraw/zinc/01/19/97/607011997.db2.gz DUONRZRXJYFMAK-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554993 607013134 /nfs/dbraw/zinc/01/31/34/607013134.db2.gz DERWULRIFQGYNK-AWEZNQCLSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554993 607013136 /nfs/dbraw/zinc/01/31/36/607013136.db2.gz DERWULRIFQGYNK-AWEZNQCLSA-N -1 3 394.504 3.586 20 0 GHADHM CCn1c(SCc2cc(-c3nnn[n-]3)ccc2F)nnc1-c1ccc(C)cc1 ZINC000821565136 607017018 /nfs/dbraw/zinc/01/70/18/607017018.db2.gz FUOUYPIZRPOTPB-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2cc(-c3nn[n-]n3)ccc2F)nnc1-c1ccc(C)cc1 ZINC000821565136 607017020 /nfs/dbraw/zinc/01/70/20/607017020.db2.gz FUOUYPIZRPOTPB-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CC(C)(C)c1nnc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000819971234 607033701 /nfs/dbraw/zinc/03/37/01/607033701.db2.gz FWLUHXMASVJPGZ-UHFFFAOYSA-N -1 3 396.423 3.582 20 0 GHADHM CC(C)(C)c1nnc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000819971234 607033703 /nfs/dbraw/zinc/03/37/03/607033703.db2.gz FWLUHXMASVJPGZ-UHFFFAOYSA-N -1 3 396.423 3.582 20 0 GHADHM CCCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000821028055 607036331 /nfs/dbraw/zinc/03/63/31/607036331.db2.gz SJPYSWAIUXZZGN-UHFFFAOYSA-N -1 3 382.493 3.823 20 0 GHADHM CCCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000821028055 607036332 /nfs/dbraw/zinc/03/63/32/607036332.db2.gz SJPYSWAIUXZZGN-UHFFFAOYSA-N -1 3 382.493 3.823 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821564003 607072486 /nfs/dbraw/zinc/07/24/86/607072486.db2.gz PHFMTQZIDLMTRQ-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822959307 607074262 /nfs/dbraw/zinc/07/42/62/607074262.db2.gz XVHSNBMDFYUJHJ-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822959307 607074263 /nfs/dbraw/zinc/07/42/63/607074263.db2.gz XVHSNBMDFYUJHJ-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1-c1ncco1 ZINC000822248840 607074841 /nfs/dbraw/zinc/07/48/41/607074841.db2.gz PTBJGCSZNBPYHL-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1-c1ncco1 ZINC000822248840 607074842 /nfs/dbraw/zinc/07/48/42/607074842.db2.gz PTBJGCSZNBPYHL-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913091 607093827 /nfs/dbraw/zinc/09/38/27/607093827.db2.gz CTFGMWGWQMTLPX-JXFKEZNVSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913091 607093829 /nfs/dbraw/zinc/09/38/29/607093829.db2.gz CTFGMWGWQMTLPX-JXFKEZNVSA-N -1 3 392.507 3.981 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC(C(F)F)CC1 ZINC000823493240 607097835 /nfs/dbraw/zinc/09/78/35/607097835.db2.gz JKPCUJFMBMYFFV-UHFFFAOYSA-N -1 3 399.401 3.776 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC(C(F)F)CC1 ZINC000823493240 607097837 /nfs/dbraw/zinc/09/78/37/607097837.db2.gz JKPCUJFMBMYFFV-UHFFFAOYSA-N -1 3 399.401 3.776 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000821304528 607100770 /nfs/dbraw/zinc/10/07/70/607100770.db2.gz JHTUPMWAICIPSX-UHFFFAOYSA-N -1 3 391.262 3.787 20 0 GHADHM CCC1CCC(N(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C2CC2)CC1 ZINC000820971767 607106784 /nfs/dbraw/zinc/10/67/84/607106784.db2.gz FTIPYZAOVVGDPG-UHFFFAOYSA-N -1 3 386.475 3.649 20 0 GHADHM CCC1CCC(N(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C2CC2)CC1 ZINC000820971767 607106786 /nfs/dbraw/zinc/10/67/86/607106786.db2.gz FTIPYZAOVVGDPG-UHFFFAOYSA-N -1 3 386.475 3.649 20 0 GHADHM CC(C)(C)c1ccc(O)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820001389 607132511 /nfs/dbraw/zinc/13/25/11/607132511.db2.gz KQKKTLGMABPZRI-UHFFFAOYSA-N -1 3 395.463 3.666 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)Oc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1F ZINC000822153545 607138502 /nfs/dbraw/zinc/13/85/02/607138502.db2.gz MOZVPFXRXQFKAT-SNVBAGLBSA-N -1 3 384.346 3.643 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1F ZINC000822153545 607138504 /nfs/dbraw/zinc/13/85/04/607138504.db2.gz MOZVPFXRXQFKAT-SNVBAGLBSA-N -1 3 384.346 3.643 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC(CC(F)(F)F)C1 ZINC000823493015 607140211 /nfs/dbraw/zinc/14/02/11/607140211.db2.gz DLPLMGYOMLSLKR-UHFFFAOYSA-N -1 3 387.365 3.558 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC(CC(F)(F)F)C1 ZINC000823493015 607140212 /nfs/dbraw/zinc/14/02/12/607140212.db2.gz DLPLMGYOMLSLKR-UHFFFAOYSA-N -1 3 387.365 3.558 20 0 GHADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@@H]1CCOC2(CCC2)C1 ZINC000822408969 607145688 /nfs/dbraw/zinc/14/56/88/607145688.db2.gz KNVNRVOBJIZJKM-CQSZACIVSA-N -1 3 382.493 3.545 20 0 GHADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@@H]1CCOC2(CCC2)C1 ZINC000822408969 607145691 /nfs/dbraw/zinc/14/56/91/607145691.db2.gz KNVNRVOBJIZJKM-CQSZACIVSA-N -1 3 382.493 3.545 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821015370 607164292 /nfs/dbraw/zinc/16/42/92/607164292.db2.gz PMKDLRZPTMFYKT-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821015370 607164294 /nfs/dbraw/zinc/16/42/94/607164294.db2.gz PMKDLRZPTMFYKT-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM CSC[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821960820 607166331 /nfs/dbraw/zinc/16/63/31/607166331.db2.gz DBSYYOSGSGWVAJ-MRXNPFEDSA-N -1 3 395.488 3.627 20 0 GHADHM CSC[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821960820 607166332 /nfs/dbraw/zinc/16/63/32/607166332.db2.gz DBSYYOSGSGWVAJ-MRXNPFEDSA-N -1 3 395.488 3.627 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)SCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821766457 607172286 /nfs/dbraw/zinc/17/22/86/607172286.db2.gz XJEBUQDYFRXYTF-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)SCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821766457 607172287 /nfs/dbraw/zinc/17/22/87/607172287.db2.gz XJEBUQDYFRXYTF-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000823472787 607193839 /nfs/dbraw/zinc/19/38/39/607193839.db2.gz YQKIENCBYQNYQD-UHFFFAOYSA-N -1 3 396.454 3.734 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000823472787 607193840 /nfs/dbraw/zinc/19/38/40/607193840.db2.gz YQKIENCBYQNYQD-UHFFFAOYSA-N -1 3 396.454 3.734 20 0 GHADHM O=C(NCc1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823229550 607199491 /nfs/dbraw/zinc/19/94/91/607199491.db2.gz XNSNYQWGGISWAF-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823229550 607199492 /nfs/dbraw/zinc/19/94/92/607199492.db2.gz XNSNYQWGGISWAF-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820643184 607200623 /nfs/dbraw/zinc/20/06/23/607200623.db2.gz RJVWGQPGOVOHRB-IUODEOHRSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820643184 607200624 /nfs/dbraw/zinc/20/06/24/607200624.db2.gz RJVWGQPGOVOHRB-IUODEOHRSA-N -1 3 382.855 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC000823313791 607203092 /nfs/dbraw/zinc/20/30/92/607203092.db2.gz IWBMGLPMURPNCX-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC000823313791 607203093 /nfs/dbraw/zinc/20/30/93/607203093.db2.gz IWBMGLPMURPNCX-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(F)cccc1F ZINC000820375091 607203517 /nfs/dbraw/zinc/20/35/17/607203517.db2.gz YBEAOWZYZFASTD-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(F)cccc1F ZINC000820375091 607203518 /nfs/dbraw/zinc/20/35/18/607203518.db2.gz YBEAOWZYZFASTD-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000820152061 607210184 /nfs/dbraw/zinc/21/01/84/607210184.db2.gz SGJZSISKWLNSLP-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000820152061 607210185 /nfs/dbraw/zinc/21/01/85/607210185.db2.gz SGJZSISKWLNSLP-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cc1OC ZINC000821821152 607226280 /nfs/dbraw/zinc/22/62/80/607226280.db2.gz ALIOHEGCJNBWQE-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cc1OC ZINC000821821152 607226281 /nfs/dbraw/zinc/22/62/81/607226281.db2.gz ALIOHEGCJNBWQE-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000821766392 607231668 /nfs/dbraw/zinc/23/16/68/607231668.db2.gz VMLVZCPLQBQWIG-SNVBAGLBSA-N -1 3 398.423 3.918 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000821766392 607231669 /nfs/dbraw/zinc/23/16/69/607231669.db2.gz VMLVZCPLQBQWIG-SNVBAGLBSA-N -1 3 398.423 3.918 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000822224888 607241365 /nfs/dbraw/zinc/24/13/65/607241365.db2.gz DVPAVCDPVKGNFH-UHFFFAOYSA-N -1 3 383.839 3.739 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000822224888 607241366 /nfs/dbraw/zinc/24/13/66/607241366.db2.gz DVPAVCDPVKGNFH-UHFFFAOYSA-N -1 3 383.839 3.739 20 0 GHADHM COc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cc2c1 ZINC000821853830 607241377 /nfs/dbraw/zinc/24/13/77/607241377.db2.gz BIMVGEHIVWZUHH-UHFFFAOYSA-N -1 3 394.822 3.638 20 0 GHADHM COc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc2c1 ZINC000821853830 607241378 /nfs/dbraw/zinc/24/13/78/607241378.db2.gz BIMVGEHIVWZUHH-UHFFFAOYSA-N -1 3 394.822 3.638 20 0 GHADHM COCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821695143 607242296 /nfs/dbraw/zinc/24/22/96/607242296.db2.gz LDNWLUFIFISULW-UHFFFAOYSA-N -1 3 383.795 3.665 20 0 GHADHM COCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821695143 607242297 /nfs/dbraw/zinc/24/22/97/607242297.db2.gz LDNWLUFIFISULW-UHFFFAOYSA-N -1 3 383.795 3.665 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823450302 607245163 /nfs/dbraw/zinc/24/51/63/607245163.db2.gz NKRKGNFCJMCGGH-SFHVURJKSA-N -1 3 382.395 3.612 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823450302 607245164 /nfs/dbraw/zinc/24/51/64/607245164.db2.gz NKRKGNFCJMCGGH-SFHVURJKSA-N -1 3 382.395 3.612 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3sccc3-c3nnn[n-]3)c2c1 ZINC000826213821 607783293 /nfs/dbraw/zinc/78/32/93/607783293.db2.gz NVOSBNAURWAJJE-UHFFFAOYSA-N -1 3 392.444 3.615 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3sccc3-c3nn[n-]n3)c2c1 ZINC000826213821 607783294 /nfs/dbraw/zinc/78/32/94/607783294.db2.gz NVOSBNAURWAJJE-UHFFFAOYSA-N -1 3 392.444 3.615 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000825544573 607784640 /nfs/dbraw/zinc/78/46/40/607784640.db2.gz CVHONLLGLPLAGJ-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000825544573 607784641 /nfs/dbraw/zinc/78/46/41/607784641.db2.gz CVHONLLGLPLAGJ-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM FC(F)(F)c1csc(CSCCOc2ccccc2-c2nnn[n-]2)n1 ZINC000826369288 607785194 /nfs/dbraw/zinc/78/51/94/607785194.db2.gz WBJGKJJNVPLZED-UHFFFAOYSA-N -1 3 387.412 3.654 20 0 GHADHM FC(F)(F)c1csc(CSCCOc2ccccc2-c2nn[n-]n2)n1 ZINC000826369288 607785195 /nfs/dbraw/zinc/78/51/95/607785195.db2.gz WBJGKJJNVPLZED-UHFFFAOYSA-N -1 3 387.412 3.654 20 0 GHADHM CN(C(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825820507 607787262 /nfs/dbraw/zinc/78/72/62/607787262.db2.gz IISDNLWTMFKSFO-UHFFFAOYSA-N -1 3 393.394 3.641 20 0 GHADHM CN(C(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825820507 607787263 /nfs/dbraw/zinc/78/72/63/607787263.db2.gz IISDNLWTMFKSFO-UHFFFAOYSA-N -1 3 393.394 3.641 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826292055 607788532 /nfs/dbraw/zinc/78/85/32/607788532.db2.gz GJMFNJPEBSTXRM-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826292055 607788533 /nfs/dbraw/zinc/78/85/33/607788533.db2.gz GJMFNJPEBSTXRM-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1cc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826267418 607791858 /nfs/dbraw/zinc/79/18/58/607791858.db2.gz DZJCDUACHBZYRN-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc2c(cc1Br)N(C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000826272941 607824914 /nfs/dbraw/zinc/82/49/14/607824914.db2.gz HXNHAVOKVKYWET-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1cc2c(cc1Br)N(C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000826272941 607824915 /nfs/dbraw/zinc/82/49/15/607824915.db2.gz HXNHAVOKVKYWET-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM O=C(NCCCc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826437130 607832823 /nfs/dbraw/zinc/83/28/23/607832823.db2.gz XLKJBRRVVZGQBF-UHFFFAOYSA-N -1 3 376.247 3.536 20 0 GHADHM O=C(NCCCc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826437130 607832824 /nfs/dbraw/zinc/83/28/24/607832824.db2.gz XLKJBRRVVZGQBF-UHFFFAOYSA-N -1 3 376.247 3.536 20 0 GHADHM Cc1nc2ccc(NC(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)cc2o1 ZINC000826329011 607833366 /nfs/dbraw/zinc/83/33/66/607833366.db2.gz MVOXGBQOIUNRPO-UHFFFAOYSA-N -1 3 389.202 3.875 20 0 GHADHM Cc1nc2ccc(NC(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)cc2o1 ZINC000826329011 607833367 /nfs/dbraw/zinc/83/33/67/607833367.db2.gz MVOXGBQOIUNRPO-UHFFFAOYSA-N -1 3 389.202 3.875 20 0 GHADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCc2ccc(F)cc21 ZINC000826469152 607834509 /nfs/dbraw/zinc/83/45/09/607834509.db2.gz WKXYMAWEBVKMMY-UHFFFAOYSA-N -1 3 378.194 3.516 20 0 GHADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCc2ccc(F)cc21 ZINC000826469152 607834510 /nfs/dbraw/zinc/83/45/10/607834510.db2.gz WKXYMAWEBVKMMY-UHFFFAOYSA-N -1 3 378.194 3.516 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429215 607834585 /nfs/dbraw/zinc/83/45/85/607834585.db2.gz XADSIHFEZFOUBB-BXUZGUMPSA-N -1 3 392.221 3.599 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429215 607834586 /nfs/dbraw/zinc/83/45/86/607834586.db2.gz XADSIHFEZFOUBB-BXUZGUMPSA-N -1 3 392.221 3.599 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429218 607834659 /nfs/dbraw/zinc/83/46/59/607834659.db2.gz XADSIHFEZFOUBB-SMDDNHRTSA-N -1 3 392.221 3.599 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429218 607834660 /nfs/dbraw/zinc/83/46/60/607834660.db2.gz XADSIHFEZFOUBB-SMDDNHRTSA-N -1 3 392.221 3.599 20 0 GHADHM CCc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000825712180 607845592 /nfs/dbraw/zinc/84/55/92/607845592.db2.gz LYCUHGDRGGDAQZ-UHFFFAOYSA-N -1 3 393.925 3.553 20 0 GHADHM CCc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000825712180 607845593 /nfs/dbraw/zinc/84/55/93/607845593.db2.gz LYCUHGDRGGDAQZ-UHFFFAOYSA-N -1 3 393.925 3.553 20 0 GHADHM CSc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826230916 607845726 /nfs/dbraw/zinc/84/57/26/607845726.db2.gz ORWUYDLIFQIRNQ-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CSc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826230916 607845727 /nfs/dbraw/zinc/84/57/27/607845727.db2.gz ORWUYDLIFQIRNQ-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000826464890 607857526 /nfs/dbraw/zinc/85/75/26/607857526.db2.gz QRVWUIWHSLLJJY-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000826464890 607857527 /nfs/dbraw/zinc/85/75/27/607857527.db2.gz QRVWUIWHSLLJJY-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826243052 607874156 /nfs/dbraw/zinc/87/41/56/607874156.db2.gz RTLKPQAOLDFSPM-OAHLLOKOSA-N -1 3 378.354 3.615 20 0 GHADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367027 607878724 /nfs/dbraw/zinc/87/87/24/607878724.db2.gz IFCVPMYBEQRQIB-HOTGVXAUSA-N -1 3 385.830 3.816 20 0 GHADHM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367027 607878725 /nfs/dbraw/zinc/87/87/25/607878725.db2.gz IFCVPMYBEQRQIB-HOTGVXAUSA-N -1 3 385.830 3.816 20 0 GHADHM CCN(C(=O)COc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371091 607878896 /nfs/dbraw/zinc/87/88/96/607878896.db2.gz BJGRMKRQYOBCRD-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)COc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371091 607878897 /nfs/dbraw/zinc/87/88/97/607878897.db2.gz BJGRMKRQYOBCRD-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000824650259 607902767 /nfs/dbraw/zinc/90/27/67/607902767.db2.gz QIWIBCWWYRKGNC-BLBHWQHRSA-N -1 3 395.410 3.796 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000824650259 607902768 /nfs/dbraw/zinc/90/27/68/607902768.db2.gz QIWIBCWWYRKGNC-BLBHWQHRSA-N -1 3 395.410 3.796 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CC1 ZINC000824852463 607919523 /nfs/dbraw/zinc/91/95/23/607919523.db2.gz MPOVOFGMFOLBTF-UHFFFAOYSA-N -1 3 394.410 3.982 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CC1 ZINC000824852463 607919524 /nfs/dbraw/zinc/91/95/24/607919524.db2.gz MPOVOFGMFOLBTF-UHFFFAOYSA-N -1 3 394.410 3.982 20 0 GHADHM C[C@H](Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662564 607929849 /nfs/dbraw/zinc/92/98/49/607929849.db2.gz NEYUMKUGQVKBED-HNNXBMFYSA-N -1 3 383.459 3.955 20 0 GHADHM C[C@H](Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662564 607929850 /nfs/dbraw/zinc/92/98/50/607929850.db2.gz NEYUMKUGQVKBED-HNNXBMFYSA-N -1 3 383.459 3.955 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826441882 607932020 /nfs/dbraw/zinc/93/20/20/607932020.db2.gz ZSXMZDZYEONOGH-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826441882 607932021 /nfs/dbraw/zinc/93/20/21/607932021.db2.gz ZSXMZDZYEONOGH-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826424076 607948194 /nfs/dbraw/zinc/94/81/94/607948194.db2.gz UYAURRWDCXVOBP-UHFFFAOYSA-N -1 3 395.875 3.867 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826424076 607948195 /nfs/dbraw/zinc/94/81/95/607948195.db2.gz UYAURRWDCXVOBP-UHFFFAOYSA-N -1 3 395.875 3.867 20 0 GHADHM Cc1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)sc2cccc(F)c12 ZINC000826234348 607950237 /nfs/dbraw/zinc/95/02/37/607950237.db2.gz RURMLBTYSKHJNW-UHFFFAOYSA-N -1 3 379.420 3.732 20 0 GHADHM Cc1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)sc2cccc(F)c12 ZINC000826234348 607950238 /nfs/dbraw/zinc/95/02/38/607950238.db2.gz RURMLBTYSKHJNW-UHFFFAOYSA-N -1 3 379.420 3.732 20 0 GHADHM C[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479703 607969529 /nfs/dbraw/zinc/96/95/29/607969529.db2.gz PWFNRFFXYQQRIY-ZDUSSCGKSA-N -1 3 394.866 3.742 20 0 GHADHM C[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479703 607969530 /nfs/dbraw/zinc/96/95/30/607969530.db2.gz PWFNRFFXYQQRIY-ZDUSSCGKSA-N -1 3 394.866 3.742 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc2c1CN(c1ccccn1)C2 ZINC000826373568 608012439 /nfs/dbraw/zinc/01/24/39/608012439.db2.gz QQPIKAKIMLHXCK-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826456069 608023096 /nfs/dbraw/zinc/02/30/96/608023096.db2.gz OWORMBAEEJMUPG-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826456069 608023097 /nfs/dbraw/zinc/02/30/97/608023097.db2.gz OWORMBAEEJMUPG-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM COCc1cc(CNc2ccc(-c3nn[n-]n3)cc2Br)ccc1F ZINC000826164115 608050188 /nfs/dbraw/zinc/05/01/88/608050188.db2.gz BCLMVJCGVLGQLV-UHFFFAOYSA-N -1 3 392.232 3.527 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCc2c3ccccc3[nH]c2C1 ZINC000823826151 608051659 /nfs/dbraw/zinc/05/16/59/608051659.db2.gz DJASEMRHLACVJZ-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM CCCCC[C@@H](C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000825268623 608081593 /nfs/dbraw/zinc/08/15/93/608081593.db2.gz WMZIDFUGGGWJPE-MOPGFXCFSA-N -1 3 385.512 3.619 20 0 GHADHM CCCCC[C@@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000825268623 608081594 /nfs/dbraw/zinc/08/15/94/608081594.db2.gz WMZIDFUGGGWJPE-MOPGFXCFSA-N -1 3 385.512 3.619 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489963 608098514 /nfs/dbraw/zinc/09/85/14/608098514.db2.gz OCYNIAHLBOKGDV-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489963 608098515 /nfs/dbraw/zinc/09/85/15/608098515.db2.gz OCYNIAHLBOKGDV-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM CN(C)c1ccc(C(F)(F)F)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825875282 608112146 /nfs/dbraw/zinc/11/21/46/608112146.db2.gz IKBMSVIFGJWLBU-UHFFFAOYSA-N -1 3 380.349 3.703 20 0 GHADHM CN(C)c1ccc(C(F)(F)F)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825875282 608112147 /nfs/dbraw/zinc/11/21/47/608112147.db2.gz IKBMSVIFGJWLBU-UHFFFAOYSA-N -1 3 380.349 3.703 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826471936 608130890 /nfs/dbraw/zinc/13/08/90/608130890.db2.gz RFNAMPZPMMDZLI-HNNXBMFYSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826471936 608130891 /nfs/dbraw/zinc/13/08/91/608130891.db2.gz RFNAMPZPMMDZLI-HNNXBMFYSA-N -1 3 387.365 3.515 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC1CCCCC1 ZINC000826161715 608139096 /nfs/dbraw/zinc/13/90/96/608139096.db2.gz WKEJSENUMDUFPF-UHFFFAOYSA-N -1 3 387.484 3.581 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC1CCCCC1 ZINC000826161715 608139097 /nfs/dbraw/zinc/13/90/97/608139097.db2.gz WKEJSENUMDUFPF-UHFFFAOYSA-N -1 3 387.484 3.581 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC(C)(C)C1 ZINC000824975130 608139744 /nfs/dbraw/zinc/13/97/44/608139744.db2.gz JGOPCBHAICIQAW-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC(C)(C)C1 ZINC000824975130 608139745 /nfs/dbraw/zinc/13/97/45/608139745.db2.gz JGOPCBHAICIQAW-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824080691 608149947 /nfs/dbraw/zinc/14/99/47/608149947.db2.gz ZNTQLHDAVVUVKN-SMDDNHRTSA-N -1 3 380.290 3.635 20 0 GHADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363313 608151528 /nfs/dbraw/zinc/15/15/28/608151528.db2.gz XOQDISOPDKSBDU-QWHCGFSZSA-N -1 3 385.418 3.858 20 0 GHADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363313 608151529 /nfs/dbraw/zinc/15/15/29/608151529.db2.gz XOQDISOPDKSBDU-QWHCGFSZSA-N -1 3 385.418 3.858 20 0 GHADHM COc1ccc([C@H](C)OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826211910 608168488 /nfs/dbraw/zinc/16/84/88/608168488.db2.gz ZUPZMVGNDOGLQG-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM COc1ccc([C@H](C)OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826211910 608168489 /nfs/dbraw/zinc/16/84/89/608168489.db2.gz ZUPZMVGNDOGLQG-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284821 608182997 /nfs/dbraw/zinc/18/29/97/608182997.db2.gz NQYJIRDGISQIPZ-NSHDSACASA-N -1 3 390.394 3.575 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284821 608182998 /nfs/dbraw/zinc/18/29/98/608182998.db2.gz NQYJIRDGISQIPZ-NSHDSACASA-N -1 3 390.394 3.575 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1-c1nnn[n-]1 ZINC000826231787 608200013 /nfs/dbraw/zinc/20/00/13/608200013.db2.gz ZLEWWRDPEQZCPO-LBPRGKRZSA-N -1 3 398.536 3.513 20 0 GHADHM Cc1ccncc1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826314666 608201776 /nfs/dbraw/zinc/20/17/76/608201776.db2.gz IAWURTCSJKFYHA-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccncc1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826314666 608201777 /nfs/dbraw/zinc/20/17/77/608201777.db2.gz IAWURTCSJKFYHA-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM C[C@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824654960 608218499 /nfs/dbraw/zinc/21/84/99/608218499.db2.gz ANFFRNCDTJYRTD-NSHDSACASA-N -1 3 382.855 3.837 20 0 GHADHM C[C@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824654960 608218501 /nfs/dbraw/zinc/21/85/01/608218501.db2.gz ANFFRNCDTJYRTD-NSHDSACASA-N -1 3 382.855 3.837 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)cc1 ZINC000826351405 608223661 /nfs/dbraw/zinc/22/36/61/608223661.db2.gz LOQAUTIJAGSMSZ-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)cc1 ZINC000826351405 608223662 /nfs/dbraw/zinc/22/36/62/608223662.db2.gz LOQAUTIJAGSMSZ-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826520377 608225901 /nfs/dbraw/zinc/22/59/01/608225901.db2.gz ICEVIAUSGDCGIL-NQIIRXRSSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@@H]2OCCC[C@@H]2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826520377 608225904 /nfs/dbraw/zinc/22/59/04/608225904.db2.gz ICEVIAUSGDCGIL-NQIIRXRSSA-N -1 3 386.459 3.995 20 0 GHADHM Fc1cccc([C@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccn2)c1 ZINC000826376988 608234607 /nfs/dbraw/zinc/23/46/07/608234607.db2.gz ZUTVRWFDWSWOIP-KRWDZBQOSA-N -1 3 382.349 3.881 20 0 GHADHM Fc1cccc([C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccn2)c1 ZINC000826376988 608234609 /nfs/dbraw/zinc/23/46/09/608234609.db2.gz ZUTVRWFDWSWOIP-KRWDZBQOSA-N -1 3 382.349 3.881 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000824123295 608235431 /nfs/dbraw/zinc/23/54/31/608235431.db2.gz CKOYIHLMTBAKTD-UHFFFAOYSA-N -1 3 375.436 3.599 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000824123295 608235432 /nfs/dbraw/zinc/23/54/32/608235432.db2.gz CKOYIHLMTBAKTD-UHFFFAOYSA-N -1 3 375.436 3.599 20 0 GHADHM O=C(C=C1CCSCC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826400337 608236691 /nfs/dbraw/zinc/23/66/91/608236691.db2.gz WFPATTDORFCPEV-UHFFFAOYSA-N -1 3 397.529 3.665 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(OC3CCCCC3)c2)s1 ZINC000825694671 608260828 /nfs/dbraw/zinc/26/08/28/608260828.db2.gz ZBKBSIHIXNAGEO-UHFFFAOYSA-N -1 3 398.492 3.849 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(OC3CCCCC3)c2)s1 ZINC000825694671 608260830 /nfs/dbraw/zinc/26/08/30/608260830.db2.gz ZBKBSIHIXNAGEO-UHFFFAOYSA-N -1 3 398.492 3.849 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc([C@H]2CCCOC2)c1 ZINC000826460773 608264822 /nfs/dbraw/zinc/26/48/22/608264822.db2.gz RZEOSSQCMLWUOD-AWEZNQCLSA-N -1 3 395.488 3.563 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc([C@H]2CCCOC2)c1 ZINC000826460773 608264823 /nfs/dbraw/zinc/26/48/23/608264823.db2.gz RZEOSSQCMLWUOD-AWEZNQCLSA-N -1 3 395.488 3.563 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(Cl)c(F)c1 ZINC000826168028 608267272 /nfs/dbraw/zinc/26/72/72/608267272.db2.gz ZNOLBCXCNNMRKL-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(Cl)c(F)c1 ZINC000826168028 608267274 /nfs/dbraw/zinc/26/72/74/608267274.db2.gz ZNOLBCXCNNMRKL-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824285036 608268417 /nfs/dbraw/zinc/26/84/17/608268417.db2.gz UMVFRFMXXMTXLD-CQSZACIVSA-N -1 3 396.499 3.725 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824285036 608268419 /nfs/dbraw/zinc/26/84/19/608268419.db2.gz UMVFRFMXXMTXLD-CQSZACIVSA-N -1 3 396.499 3.725 20 0 GHADHM CCN(C(=O)c1ccc(F)c(SC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385908 608268803 /nfs/dbraw/zinc/26/88/03/608268803.db2.gz VIICJJCPVWHQES-LBPRGKRZSA-N -1 3 385.468 3.951 20 0 GHADHM CCN(C(=O)c1ccc(F)c(SC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385908 608268804 /nfs/dbraw/zinc/26/88/04/608268804.db2.gz VIICJJCPVWHQES-LBPRGKRZSA-N -1 3 385.468 3.951 20 0 GHADHM COC[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000826150467 608283276 /nfs/dbraw/zinc/28/32/76/608283276.db2.gz FFVFCOVNMGYECW-MRXNPFEDSA-N -1 3 395.360 3.502 20 0 GHADHM CCCCn1cc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c(C)n1 ZINC000825301213 608294201 /nfs/dbraw/zinc/29/42/01/608294201.db2.gz JXWPKQTYUSVQPL-UHFFFAOYSA-N -1 3 398.421 3.610 20 0 GHADHM CCCCn1cc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c(C)n1 ZINC000825301213 608294203 /nfs/dbraw/zinc/29/42/03/608294203.db2.gz JXWPKQTYUSVQPL-UHFFFAOYSA-N -1 3 398.421 3.610 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000826274246 608300242 /nfs/dbraw/zinc/30/02/42/608300242.db2.gz LBZQXNWWBSFIDG-CQSZACIVSA-N -1 3 384.871 3.519 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000826274246 608300244 /nfs/dbraw/zinc/30/02/44/608300244.db2.gz LBZQXNWWBSFIDG-CQSZACIVSA-N -1 3 384.871 3.519 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000826440879 608305872 /nfs/dbraw/zinc/30/58/72/608305872.db2.gz DTTWNEXNQDVOBF-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000826440879 608305874 /nfs/dbraw/zinc/30/58/74/608305874.db2.gz DTTWNEXNQDVOBF-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928118 608309182 /nfs/dbraw/zinc/30/91/82/608309182.db2.gz REIINTXYYBFKPC-VQIMIIECSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928118 608309183 /nfs/dbraw/zinc/30/91/83/608309183.db2.gz REIINTXYYBFKPC-VQIMIIECSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928117 608309268 /nfs/dbraw/zinc/30/92/68/608309268.db2.gz REIINTXYYBFKPC-QFBILLFUSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928117 608309270 /nfs/dbraw/zinc/30/92/70/608309270.db2.gz REIINTXYYBFKPC-QFBILLFUSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC[C@@H]1C ZINC000824953714 608313275 /nfs/dbraw/zinc/31/32/75/608313275.db2.gz HJHGUHOMDPQUJS-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC[C@@H]1C ZINC000824953714 608313277 /nfs/dbraw/zinc/31/32/77/608313277.db2.gz HJHGUHOMDPQUJS-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1nnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)s1 ZINC000826335228 608317263 /nfs/dbraw/zinc/31/72/63/608317263.db2.gz DJASLDDHKOKUPU-UHFFFAOYSA-N -1 3 395.467 3.681 20 0 GHADHM Cc1nnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)s1 ZINC000826335228 608317265 /nfs/dbraw/zinc/31/72/65/608317265.db2.gz DJASLDDHKOKUPU-UHFFFAOYSA-N -1 3 395.467 3.681 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cc2ccccc2[nH]c1=O ZINC000826173855 608322952 /nfs/dbraw/zinc/32/29/52/608322952.db2.gz YFSULDXJZJDRAU-UHFFFAOYSA-N -1 3 379.445 3.563 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cc2ccccc2[nH]c1=O ZINC000826173855 608322954 /nfs/dbraw/zinc/32/29/54/608322954.db2.gz YFSULDXJZJDRAU-UHFFFAOYSA-N -1 3 379.445 3.563 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccncc1 ZINC000824384994 608329121 /nfs/dbraw/zinc/32/91/21/608329121.db2.gz JMGRQNPLYBWGMT-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccncc1 ZINC000824384994 608329123 /nfs/dbraw/zinc/32/91/23/608329123.db2.gz JMGRQNPLYBWGMT-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM O=C(CCCC(F)(F)F)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826405362 608329825 /nfs/dbraw/zinc/32/98/25/608329825.db2.gz CVSZUEYOXYQZJV-UHFFFAOYSA-N -1 3 389.381 3.883 20 0 GHADHM O=C(CCCC(F)(F)F)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826405362 608329826 /nfs/dbraw/zinc/32/98/26/608329826.db2.gz CVSZUEYOXYQZJV-UHFFFAOYSA-N -1 3 389.381 3.883 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nc2ccccc2s1 ZINC000824292903 608340102 /nfs/dbraw/zinc/34/01/02/608340102.db2.gz CUXZIYIABLSVML-UHFFFAOYSA-N -1 3 378.461 3.527 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nc2ccccc2s1 ZINC000824292903 608340104 /nfs/dbraw/zinc/34/01/04/608340104.db2.gz CUXZIYIABLSVML-UHFFFAOYSA-N -1 3 378.461 3.527 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362629 608341814 /nfs/dbraw/zinc/34/18/14/608341814.db2.gz PYVIHMWMCNOTQY-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362629 608341816 /nfs/dbraw/zinc/34/18/16/608341816.db2.gz PYVIHMWMCNOTQY-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390505 608346081 /nfs/dbraw/zinc/34/60/81/608346081.db2.gz HODWOUFGXVNOOQ-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CCN(C(=O)c1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390505 608346083 /nfs/dbraw/zinc/34/60/83/608346083.db2.gz HODWOUFGXVNOOQ-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2cc(-c3cccnc3)on2)c(-c2nnn[n-]2)s1 ZINC000824129640 608347638 /nfs/dbraw/zinc/34/76/38/608347638.db2.gz CHLAPWNAGXDNEU-UHFFFAOYSA-N -1 3 395.448 3.528 20 0 GHADHM C[C@H](N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1(C)CC1 ZINC000824464797 608358150 /nfs/dbraw/zinc/35/81/50/608358150.db2.gz KJWBWDQMSWGCCH-HNNXBMFYSA-N -1 3 390.491 3.864 20 0 GHADHM C[C@H](N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1(C)CC1 ZINC000824464797 608358152 /nfs/dbraw/zinc/35/81/52/608358152.db2.gz KJWBWDQMSWGCCH-HNNXBMFYSA-N -1 3 390.491 3.864 20 0 GHADHM C[C@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824936703 608358557 /nfs/dbraw/zinc/35/85/57/608358557.db2.gz LHGIIJCJSBJQPQ-HNNXBMFYSA-N -1 3 376.464 3.618 20 0 GHADHM C[C@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824936703 608358558 /nfs/dbraw/zinc/35/85/58/608358558.db2.gz LHGIIJCJSBJQPQ-HNNXBMFYSA-N -1 3 376.464 3.618 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824244452 608391505 /nfs/dbraw/zinc/39/15/05/608391505.db2.gz RJFRPSOABPCZQV-INIZCTEOSA-N -1 3 382.512 3.880 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824244452 608391507 /nfs/dbraw/zinc/39/15/07/608391507.db2.gz RJFRPSOABPCZQV-INIZCTEOSA-N -1 3 382.512 3.880 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826282858 608395477 /nfs/dbraw/zinc/39/54/77/608395477.db2.gz DMCWAHAQPDEHFQ-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826282858 608395480 /nfs/dbraw/zinc/39/54/80/608395480.db2.gz DMCWAHAQPDEHFQ-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1cc(N2CCC[C@@H]2c2ccncc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269498 608396556 /nfs/dbraw/zinc/39/65/56/608396556.db2.gz ODMWNKZNURMEIY-QGZVFWFLSA-N -1 3 396.458 3.713 20 0 GHADHM Cc1cc(N2CCC[C@@H]2c2ccncc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269498 608396557 /nfs/dbraw/zinc/39/65/57/608396557.db2.gz ODMWNKZNURMEIY-QGZVFWFLSA-N -1 3 396.458 3.713 20 0 GHADHM CSc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826230869 608432290 /nfs/dbraw/zinc/43/22/90/608432290.db2.gz MXDLGBXXKGWIEJ-UHFFFAOYSA-N -1 3 385.518 3.769 20 0 GHADHM CSc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230869 608432292 /nfs/dbraw/zinc/43/22/92/608432292.db2.gz MXDLGBXXKGWIEJ-UHFFFAOYSA-N -1 3 385.518 3.769 20 0 GHADHM Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ncc1Br ZINC000826269688 608441726 /nfs/dbraw/zinc/44/17/26/608441726.db2.gz SXSMMQCPDKZJPM-UHFFFAOYSA-N -1 3 397.280 3.626 20 0 GHADHM Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ncc1Br ZINC000826269688 608441728 /nfs/dbraw/zinc/44/17/28/608441728.db2.gz SXSMMQCPDKZJPM-UHFFFAOYSA-N -1 3 397.280 3.626 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826285854 608450008 /nfs/dbraw/zinc/45/00/08/608450008.db2.gz LTMGDHKBZYVAOY-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826285854 608450010 /nfs/dbraw/zinc/45/00/10/608450010.db2.gz LTMGDHKBZYVAOY-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM COc1cccc(-c2nc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826213618 608464732 /nfs/dbraw/zinc/46/47/32/608464732.db2.gz DTDNBFAAUAEQJL-ZDUSSCGKSA-N -1 3 392.488 3.850 20 0 GHADHM O=C(Nc1cccc(Cl)c1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826456502 608470121 /nfs/dbraw/zinc/47/01/21/608470121.db2.gz IHKYHWZUEDVRCQ-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1cccc(Cl)c1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826456502 608470122 /nfs/dbraw/zinc/47/01/22/608470122.db2.gz IHKYHWZUEDVRCQ-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM Cc1ccc2oc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2c1 ZINC000826295434 608482123 /nfs/dbraw/zinc/48/21/23/608482123.db2.gz HLUNDMCIZCXQNG-UHFFFAOYSA-N -1 3 385.427 3.851 20 0 GHADHM Cc1ccc2oc(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cc2c1 ZINC000826295434 608482124 /nfs/dbraw/zinc/48/21/24/608482124.db2.gz HLUNDMCIZCXQNG-UHFFFAOYSA-N -1 3 385.427 3.851 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826328801 608486609 /nfs/dbraw/zinc/48/66/09/608486609.db2.gz DFCBXTPEIMOVSM-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826328801 608486611 /nfs/dbraw/zinc/48/66/11/608486611.db2.gz DFCBXTPEIMOVSM-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM CC(C)c1cn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(=S)n1C ZINC000824352602 608488056 /nfs/dbraw/zinc/48/80/56/608488056.db2.gz JYTCYEMQVYEWPA-UHFFFAOYSA-N -1 3 395.536 3.606 20 0 GHADHM CC(C)c1cn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(=S)n1C ZINC000824352602 608488058 /nfs/dbraw/zinc/48/80/58/608488058.db2.gz JYTCYEMQVYEWPA-UHFFFAOYSA-N -1 3 395.536 3.606 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824458246 608488100 /nfs/dbraw/zinc/48/81/00/608488100.db2.gz UQARXTYPXFGFKR-HNNXBMFYSA-N -1 3 391.450 3.500 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824458246 608488101 /nfs/dbraw/zinc/48/81/01/608488101.db2.gz UQARXTYPXFGFKR-HNNXBMFYSA-N -1 3 391.450 3.500 20 0 GHADHM Cc1ccc(/C=C/CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826285458 608488704 /nfs/dbraw/zinc/48/87/04/608488704.db2.gz AHLQVIPTZQUNFB-NSCUHMNNSA-N -1 3 385.471 3.894 20 0 GHADHM Cc1ccc(/C=C/CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826285458 608488706 /nfs/dbraw/zinc/48/87/06/608488706.db2.gz AHLQVIPTZQUNFB-NSCUHMNNSA-N -1 3 385.471 3.894 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000825620747 608493775 /nfs/dbraw/zinc/49/37/75/608493775.db2.gz GWHHVMGJCORQGA-CQSZACIVSA-N -1 3 390.447 3.771 20 0 GHADHM CCc1ccc(C(C)(C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000825704077 608538270 /nfs/dbraw/zinc/53/82/70/608538270.db2.gz CFVAFCQBGNJCKE-UHFFFAOYSA-N -1 3 389.463 3.504 20 0 GHADHM CCc1ccc(C(C)(C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000825704077 608538271 /nfs/dbraw/zinc/53/82/71/608538271.db2.gz CFVAFCQBGNJCKE-UHFFFAOYSA-N -1 3 389.463 3.504 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826455736 608543226 /nfs/dbraw/zinc/54/32/26/608543226.db2.gz BPDVKMRKGQFXRS-CQSZACIVSA-N -1 3 394.332 3.821 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826455736 608543227 /nfs/dbraw/zinc/54/32/27/608543227.db2.gz BPDVKMRKGQFXRS-CQSZACIVSA-N -1 3 394.332 3.821 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826452271 608543301 /nfs/dbraw/zinc/54/33/01/608543301.db2.gz NGLUVTDWBCTKTN-CQSZACIVSA-N -1 3 394.332 3.821 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826452271 608543303 /nfs/dbraw/zinc/54/33/03/608543303.db2.gz NGLUVTDWBCTKTN-CQSZACIVSA-N -1 3 394.332 3.821 20 0 GHADHM CSc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000826231007 608547269 /nfs/dbraw/zinc/54/72/69/608547269.db2.gz SRLDJIKCWXDEFS-GOSISDBHSA-N -1 3 397.504 3.939 20 0 GHADHM CSc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000826231007 608547270 /nfs/dbraw/zinc/54/72/70/608547270.db2.gz SRLDJIKCWXDEFS-GOSISDBHSA-N -1 3 397.504 3.939 20 0 GHADHM CCCN(Cc1nc2ccc(Cl)cc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825323168 608548563 /nfs/dbraw/zinc/54/85/63/608548563.db2.gz QAHHWEXYFACAIV-UHFFFAOYSA-N -1 3 395.898 3.819 20 0 GHADHM CC(C)CN(Cc1c(Cl)nc(Cl)n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261123 608569496 /nfs/dbraw/zinc/56/94/96/608569496.db2.gz BBTKUDKLSVLWQR-UHFFFAOYSA-N -1 3 394.310 3.565 20 0 GHADHM O=C(NOC1CCCC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826449935 608569632 /nfs/dbraw/zinc/56/96/32/608569632.db2.gz PMTIYJDNMUAURT-UHFFFAOYSA-N -1 3 395.488 3.763 20 0 GHADHM O=C(NOC1CCCC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826449935 608569634 /nfs/dbraw/zinc/56/96/34/608569634.db2.gz PMTIYJDNMUAURT-UHFFFAOYSA-N -1 3 395.488 3.763 20 0 GHADHM Clc1cscc1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826354012 608603174 /nfs/dbraw/zinc/60/31/74/608603174.db2.gz MSOPGZZLQBYXED-UHFFFAOYSA-N -1 3 375.885 3.625 20 0 GHADHM Clc1cscc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826354012 608603175 /nfs/dbraw/zinc/60/31/75/608603175.db2.gz MSOPGZZLQBYXED-UHFFFAOYSA-N -1 3 375.885 3.625 20 0 GHADHM CCc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000825717145 608753713 /nfs/dbraw/zinc/75/37/13/608753713.db2.gz HDIDXANFSXFZAQ-LBPRGKRZSA-N -1 3 396.520 3.727 20 0 GHADHM CCc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000825717145 608753715 /nfs/dbraw/zinc/75/37/15/608753715.db2.gz HDIDXANFSXFZAQ-LBPRGKRZSA-N -1 3 396.520 3.727 20 0 GHADHM c1[nH]c2ccccc2c1[C@H](CNc1cnccc1-c1nnn[n-]1)c1ccccc1 ZINC000826520662 608767728 /nfs/dbraw/zinc/76/77/28/608767728.db2.gz PAUADKHJJZWMQK-GOSISDBHSA-N -1 3 381.443 3.987 20 0 GHADHM c1[nH]c2ccccc2c1[C@H](CNc1cnccc1-c1nn[n-]n1)c1ccccc1 ZINC000826520662 608767730 /nfs/dbraw/zinc/76/77/30/608767730.db2.gz PAUADKHJJZWMQK-GOSISDBHSA-N -1 3 381.443 3.987 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824338030 608818570 /nfs/dbraw/zinc/81/85/70/608818570.db2.gz NCCLRZHYVBPZTQ-LLVKDONJSA-N -1 3 387.827 3.620 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824338030 608818573 /nfs/dbraw/zinc/81/85/73/608818573.db2.gz NCCLRZHYVBPZTQ-LLVKDONJSA-N -1 3 387.827 3.620 20 0 GHADHM FC(F)(F)CCc1ccccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826367583 608861793 /nfs/dbraw/zinc/86/17/93/608861793.db2.gz FSNVNKANDZUSQK-UHFFFAOYSA-N -1 3 387.369 3.621 20 0 GHADHM FC(F)(F)CCc1ccccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826367583 608861797 /nfs/dbraw/zinc/86/17/97/608861797.db2.gz FSNVNKANDZUSQK-UHFFFAOYSA-N -1 3 387.369 3.621 20 0 GHADHM C[C@@H](NCc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617632 609135263 /nfs/dbraw/zinc/13/52/63/609135263.db2.gz IWZXVCKSFRSDEO-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617632 609135264 /nfs/dbraw/zinc/13/52/64/609135264.db2.gz IWZXVCKSFRSDEO-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nc2ccccc2[nH]1 ZINC000824539169 609136316 /nfs/dbraw/zinc/13/63/16/609136316.db2.gz MENGSHMYZUWQAV-XIKOKIGWSA-N -1 3 379.443 3.930 20 0 GHADHM Cc1sc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c(-c2nnn[n-]2)c1C ZINC000826349233 609145447 /nfs/dbraw/zinc/14/54/47/609145447.db2.gz AFSIHCAATITJKL-UHFFFAOYSA-N -1 3 389.431 3.884 20 0 GHADHM Cc1sc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c(-c2nn[n-]n2)c1C ZINC000826349233 609145448 /nfs/dbraw/zinc/14/54/48/609145448.db2.gz AFSIHCAATITJKL-UHFFFAOYSA-N -1 3 389.431 3.884 20 0 GHADHM C(=C\[C@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)\c1ccccc1 ZINC000823862169 609149825 /nfs/dbraw/zinc/14/98/25/609149825.db2.gz ZHKOEZOQLDENLD-YAINUAMHSA-N -1 3 399.458 3.595 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824909419 609151246 /nfs/dbraw/zinc/15/12/46/609151246.db2.gz TWHOZZZLGFSEHE-DTWKUNHWSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824909419 609151248 /nfs/dbraw/zinc/15/12/48/609151248.db2.gz TWHOZZZLGFSEHE-DTWKUNHWSA-N -1 3 388.781 3.715 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826170193 609151530 /nfs/dbraw/zinc/15/15/30/609151530.db2.gz RGHZGIJWFVSEHF-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826170193 609151531 /nfs/dbraw/zinc/15/15/31/609151531.db2.gz RGHZGIJWFVSEHF-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM Fc1ccc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826374679 609152786 /nfs/dbraw/zinc/15/27/86/609152786.db2.gz JCAAPFIGJAELAP-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826374679 609152787 /nfs/dbraw/zinc/15/27/87/609152787.db2.gz JCAAPFIGJAELAP-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826454019 609161130 /nfs/dbraw/zinc/16/11/30/609161130.db2.gz HCOBPQOHYFITDU-YHWKNFMLSA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826454019 609161131 /nfs/dbraw/zinc/16/11/31/609161131.db2.gz HCOBPQOHYFITDU-YHWKNFMLSA-N -1 3 378.411 3.716 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380966 609162456 /nfs/dbraw/zinc/16/24/56/609162456.db2.gz XRFWNDKFKVDCCA-CABCVRRESA-N -1 3 393.495 3.566 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380966 609162458 /nfs/dbraw/zinc/16/24/58/609162458.db2.gz XRFWNDKFKVDCCA-CABCVRRESA-N -1 3 393.495 3.566 20 0 GHADHM CC(C)C[C@H](C)C[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824227746 609166990 /nfs/dbraw/zinc/16/69/90/609166990.db2.gz BCNRKWRWMPNVQF-JKSUJKDBSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)C[C@H](C)C[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824227746 609166991 /nfs/dbraw/zinc/16/69/91/609166991.db2.gz BCNRKWRWMPNVQF-JKSUJKDBSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)C[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245172 609171084 /nfs/dbraw/zinc/17/10/84/609171084.db2.gz WMHMEGUWSJDCBC-OLZOCXBDSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)C[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245172 609171086 /nfs/dbraw/zinc/17/10/86/609171086.db2.gz WMHMEGUWSJDCBC-OLZOCXBDSA-N -1 3 388.422 3.699 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000825620948 609180126 /nfs/dbraw/zinc/18/01/26/609180126.db2.gz JXEZYQPTWQABHS-UHFFFAOYSA-N -1 3 399.401 3.604 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000825620948 609180128 /nfs/dbraw/zinc/18/01/28/609180128.db2.gz JXEZYQPTWQABHS-UHFFFAOYSA-N -1 3 399.401 3.604 20 0 GHADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824658661 609241612 /nfs/dbraw/zinc/24/16/12/609241612.db2.gz ZVEVHOAUCWSPTD-ZDUSSCGKSA-N -1 3 398.898 3.654 20 0 GHADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824658661 609241613 /nfs/dbraw/zinc/24/16/13/609241613.db2.gz ZVEVHOAUCWSPTD-ZDUSSCGKSA-N -1 3 398.898 3.654 20 0 GHADHM CCc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)s1 ZINC000825705154 609242225 /nfs/dbraw/zinc/24/22/25/609242225.db2.gz XGANWZPNDPUSAY-CYBMUJFWSA-N -1 3 398.536 3.625 20 0 GHADHM CCc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)s1 ZINC000825705154 609242226 /nfs/dbraw/zinc/24/22/26/609242226.db2.gz XGANWZPNDPUSAY-CYBMUJFWSA-N -1 3 398.536 3.625 20 0 GHADHM Fc1ccc(Oc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cn2)cc1 ZINC000826376132 609266497 /nfs/dbraw/zinc/26/64/97/609266497.db2.gz POVYFCRTROYEGI-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccc(Oc2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cn2)cc1 ZINC000826376132 609266498 /nfs/dbraw/zinc/26/64/98/609266498.db2.gz POVYFCRTROYEGI-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000824093070 609272636 /nfs/dbraw/zinc/27/26/36/609272636.db2.gz DFSMZFIYEUPZQC-IBGZPJMESA-N -1 3 390.491 3.885 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000824093070 609272637 /nfs/dbraw/zinc/27/26/37/609272637.db2.gz DFSMZFIYEUPZQC-IBGZPJMESA-N -1 3 390.491 3.885 20 0 GHADHM c1cc(N2CCSCC2)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826516834 609280754 /nfs/dbraw/zinc/28/07/54/609280754.db2.gz DPWGXALLUBNMGF-FQEVSTJZSA-N -1 3 392.532 3.909 20 0 GHADHM c1cc(N2CCSCC2)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826516834 609280756 /nfs/dbraw/zinc/28/07/56/609280756.db2.gz DPWGXALLUBNMGF-FQEVSTJZSA-N -1 3 392.532 3.909 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cnn1C1CCCCC1 ZINC000826234961 609280773 /nfs/dbraw/zinc/28/07/73/609280773.db2.gz WNTUAGWVOSWTNL-UHFFFAOYSA-N -1 3 396.499 3.686 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cnn1C1CCCCC1 ZINC000826234961 609280775 /nfs/dbraw/zinc/28/07/75/609280775.db2.gz WNTUAGWVOSWTNL-UHFFFAOYSA-N -1 3 396.499 3.686 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCOC1 ZINC000824784472 609282107 /nfs/dbraw/zinc/28/21/07/609282107.db2.gz UOCOIFFTZFWHST-HXUWFJFHSA-N -1 3 397.410 3.553 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCOC1 ZINC000824784472 609282108 /nfs/dbraw/zinc/28/21/08/609282108.db2.gz UOCOIFFTZFWHST-HXUWFJFHSA-N -1 3 397.410 3.553 20 0 GHADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824522736 609286042 /nfs/dbraw/zinc/28/60/42/609286042.db2.gz VGBFUQKWCOZJHF-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824522736 609286043 /nfs/dbraw/zinc/28/60/43/609286043.db2.gz VGBFUQKWCOZJHF-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825981465 609286728 /nfs/dbraw/zinc/28/67/28/609286728.db2.gz SNFWJUQHPQPCNP-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825981465 609286729 /nfs/dbraw/zinc/28/67/29/609286729.db2.gz SNFWJUQHPQPCNP-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456230 609289133 /nfs/dbraw/zinc/28/91/33/609289133.db2.gz VRMQQIITDJBUMW-UHFFFAOYSA-N -1 3 380.795 3.791 20 0 GHADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456230 609289134 /nfs/dbraw/zinc/28/91/34/609289134.db2.gz VRMQQIITDJBUMW-UHFFFAOYSA-N -1 3 380.795 3.791 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1C ZINC000825081712 609303501 /nfs/dbraw/zinc/30/35/01/609303501.db2.gz MNSVEWCELKLBAN-WDEREUQCSA-N -1 3 399.524 3.781 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1C ZINC000825081712 609303504 /nfs/dbraw/zinc/30/35/04/609303504.db2.gz MNSVEWCELKLBAN-WDEREUQCSA-N -1 3 399.524 3.781 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2ccccc21 ZINC000823821396 609305610 /nfs/dbraw/zinc/30/56/10/609305610.db2.gz TZSPRIPYHJJUGU-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2ccccc21 ZINC000823821396 609305612 /nfs/dbraw/zinc/30/56/12/609305612.db2.gz TZSPRIPYHJJUGU-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1C ZINC000825074051 609312573 /nfs/dbraw/zinc/31/25/73/609312573.db2.gz DKIZGRCCBCVQHS-HNNXBMFYSA-N -1 3 395.511 3.641 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1C ZINC000825074051 609312574 /nfs/dbraw/zinc/31/25/74/609312574.db2.gz DKIZGRCCBCVQHS-HNNXBMFYSA-N -1 3 395.511 3.641 20 0 GHADHM C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824616881 609324850 /nfs/dbraw/zinc/32/48/50/609324850.db2.gz AGTYHUJOXXCZNV-CYBMUJFWSA-N -1 3 394.454 3.595 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824657231 609347353 /nfs/dbraw/zinc/34/73/53/609347353.db2.gz PZKSANBFDJIPKS-VIFPVBQESA-N -1 3 382.321 3.515 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824657231 609347355 /nfs/dbraw/zinc/34/73/55/609347355.db2.gz PZKSANBFDJIPKS-VIFPVBQESA-N -1 3 382.321 3.515 20 0 GHADHM C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658523 609349340 /nfs/dbraw/zinc/34/93/40/609349340.db2.gz XPNPYRPNFJNLCH-CYBMUJFWSA-N -1 3 384.484 3.732 20 0 GHADHM C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658523 609349342 /nfs/dbraw/zinc/34/93/42/609349342.db2.gz XPNPYRPNFJNLCH-CYBMUJFWSA-N -1 3 384.484 3.732 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770577 609358542 /nfs/dbraw/zinc/35/85/42/609358542.db2.gz MCIMSTDSJOWSCE-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770577 609358543 /nfs/dbraw/zinc/35/85/43/609358543.db2.gz MCIMSTDSJOWSCE-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM Cc1cccc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826297950 609364591 /nfs/dbraw/zinc/36/45/91/609364591.db2.gz XSNDZTZYJZFCTQ-QGZVFWFLSA-N -1 3 399.296 3.670 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826245005 609404780 /nfs/dbraw/zinc/40/47/80/609404780.db2.gz KVYLBLPNGSTUCQ-HNNXBMFYSA-N -1 3 379.439 3.724 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826245005 609404781 /nfs/dbraw/zinc/40/47/81/609404781.db2.gz KVYLBLPNGSTUCQ-HNNXBMFYSA-N -1 3 379.439 3.724 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)C2)C1 ZINC000824919719 609405437 /nfs/dbraw/zinc/40/54/37/609405437.db2.gz XLUWIBVPQLAWOD-VOJFVSQTSA-N -1 3 392.410 3.512 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)C2)C1 ZINC000824919719 609405440 /nfs/dbraw/zinc/40/54/40/609405440.db2.gz XLUWIBVPQLAWOD-VOJFVSQTSA-N -1 3 392.410 3.512 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)cc1 ZINC000825643345 609408061 /nfs/dbraw/zinc/40/80/61/609408061.db2.gz NAZLFBICYTUBRE-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)cc1 ZINC000825643345 609408062 /nfs/dbraw/zinc/40/80/62/609408062.db2.gz NAZLFBICYTUBRE-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccs1 ZINC000824753449 609421152 /nfs/dbraw/zinc/42/11/52/609421152.db2.gz DCRKSPWANOOQEP-WBMJQRKESA-N -1 3 385.518 3.918 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccs1 ZINC000824753449 609421153 /nfs/dbraw/zinc/42/11/53/609421153.db2.gz DCRKSPWANOOQEP-WBMJQRKESA-N -1 3 385.518 3.918 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000825313836 609427898 /nfs/dbraw/zinc/42/78/98/609427898.db2.gz SGSDTBYZNXLAFE-QGZVFWFLSA-N -1 3 377.492 3.793 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000825313836 609427899 /nfs/dbraw/zinc/42/78/99/609427899.db2.gz SGSDTBYZNXLAFE-QGZVFWFLSA-N -1 3 377.492 3.793 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826442013 609440073 /nfs/dbraw/zinc/44/00/73/609440073.db2.gz FYBXGBVXJCLEOZ-LJQANCHMSA-N -1 3 376.464 3.597 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826442013 609440074 /nfs/dbraw/zinc/44/00/74/609440074.db2.gz FYBXGBVXJCLEOZ-LJQANCHMSA-N -1 3 376.464 3.597 20 0 GHADHM O=C1c2ccccc2C[C@@H]1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826483734 609452294 /nfs/dbraw/zinc/45/22/94/609452294.db2.gz YHZDBWSPQZHGGU-AWEZNQCLSA-N -1 3 376.363 3.785 20 0 GHADHM O=C1c2ccccc2C[C@@H]1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826483734 609452296 /nfs/dbraw/zinc/45/22/96/609452296.db2.gz YHZDBWSPQZHGGU-AWEZNQCLSA-N -1 3 376.363 3.785 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454317 609457944 /nfs/dbraw/zinc/45/79/44/609457944.db2.gz RTZSMASEPOCJLL-UHFFFAOYSA-N -1 3 382.786 3.907 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454317 609457946 /nfs/dbraw/zinc/45/79/46/609457946.db2.gz RTZSMASEPOCJLL-UHFFFAOYSA-N -1 3 382.786 3.907 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824010419 609485399 /nfs/dbraw/zinc/48/53/99/609485399.db2.gz MTWZHIJFJDWXLB-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824010419 609485400 /nfs/dbraw/zinc/48/54/00/609485400.db2.gz MTWZHIJFJDWXLB-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824929475 609489482 /nfs/dbraw/zinc/48/94/82/609489482.db2.gz XWLWOTRICHXQBG-QRWLVFNGSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824929475 609489483 /nfs/dbraw/zinc/48/94/83/609489483.db2.gz XWLWOTRICHXQBG-QRWLVFNGSA-N -1 3 393.466 3.971 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@@H]3C[C@H]3C)o2)cc1-c1nnn[n-]1 ZINC000825552564 609489805 /nfs/dbraw/zinc/48/98/05/609489805.db2.gz AGIREHZGSNJFPN-BXUZGUMPSA-N -1 3 382.424 3.764 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@@H]3C[C@H]3C)o2)cc1-c1nn[n-]n1 ZINC000825552564 609489807 /nfs/dbraw/zinc/48/98/07/609489807.db2.gz AGIREHZGSNJFPN-BXUZGUMPSA-N -1 3 382.424 3.764 20 0 GHADHM Cc1cccc([C@H]2CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)c1 ZINC000826297808 609496518 /nfs/dbraw/zinc/49/65/18/609496518.db2.gz SZPJRIIWTUGOAX-INIZCTEOSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1cccc([C@H]2CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)c1 ZINC000826297808 609496521 /nfs/dbraw/zinc/49/65/21/609496521.db2.gz SZPJRIIWTUGOAX-INIZCTEOSA-N -1 3 393.495 3.753 20 0 GHADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824925762 609499572 /nfs/dbraw/zinc/49/95/72/609499572.db2.gz GSVGQFHZXWSVBF-AUUYWEPGSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824925762 609499574 /nfs/dbraw/zinc/49/95/74/609499574.db2.gz GSVGQFHZXWSVBF-AUUYWEPGSA-N -1 3 377.448 3.820 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(-c2ccccc2)o1 ZINC000826451612 609500358 /nfs/dbraw/zinc/50/03/58/609500358.db2.gz OGKUERHGYSISSR-UHFFFAOYSA-N -1 3 397.341 3.980 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(-c2ccccc2)o1 ZINC000826451612 609500360 /nfs/dbraw/zinc/50/03/60/609500360.db2.gz OGKUERHGYSISSR-UHFFFAOYSA-N -1 3 397.341 3.980 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C)cc2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826291121 609505158 /nfs/dbraw/zinc/50/51/58/609505158.db2.gz QBSSIJJYZRVOAE-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C)cc2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826291121 609505159 /nfs/dbraw/zinc/50/51/59/609505159.db2.gz QBSSIJJYZRVOAE-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM FC(F)Oc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826369562 609513851 /nfs/dbraw/zinc/51/38/51/609513851.db2.gz IDYYCISRSUMCPX-UHFFFAOYSA-N -1 3 381.770 3.612 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(NC(=O)C3CCC3)c2)c1-c1nnn[n-]1 ZINC000826240278 609530811 /nfs/dbraw/zinc/53/08/11/609530811.db2.gz LEEYBRQQYSAPPP-UHFFFAOYSA-N -1 3 397.870 3.574 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(NC(=O)C3CCC3)c2)c1-c1nn[n-]n1 ZINC000826240278 609530812 /nfs/dbraw/zinc/53/08/12/609530812.db2.gz LEEYBRQQYSAPPP-UHFFFAOYSA-N -1 3 397.870 3.574 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825182319 609538503 /nfs/dbraw/zinc/53/85/03/609538503.db2.gz HWKBZKNAFKOKOD-DOTOQJQBSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825182319 609538504 /nfs/dbraw/zinc/53/85/04/609538504.db2.gz HWKBZKNAFKOKOD-DOTOQJQBSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323176 609591524 /nfs/dbraw/zinc/59/15/24/609591524.db2.gz UCOMBVBMDKLFET-VAWYXSNFSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323176 609591526 /nfs/dbraw/zinc/59/15/26/609591526.db2.gz UCOMBVBMDKLFET-VAWYXSNFSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1c(NC(=O)c2cccc(Br)c2Cl)cccc1-c1nnn[n-]1 ZINC000826242578 609598032 /nfs/dbraw/zinc/59/80/32/609598032.db2.gz VJIKPJXYHZHYPP-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2cccc(Br)c2Cl)cccc1-c1nn[n-]n1 ZINC000826242578 609598034 /nfs/dbraw/zinc/59/80/34/609598034.db2.gz VJIKPJXYHZHYPP-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM COc1cc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)cc(OC)c1[O-] ZINC000186778606 837405108 /nfs/dbraw/zinc/40/51/08/837405108.db2.gz IAPBMTFDISQECC-UHFFFAOYSA-N -1 3 392.455 3.955 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(Cl)c2)cc1 ZINC000063443068 837468406 /nfs/dbraw/zinc/46/84/06/837468406.db2.gz JPFWYIOHYDRMOZ-UHFFFAOYSA-N -1 3 399.896 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](c3c(C)nn(C)c3C)C(F)(F)F)n[n-]2)o1 ZINC000177992538 837503038 /nfs/dbraw/zinc/50/30/38/837503038.db2.gz RLMDTNGYHAACAH-OAHLLOKOSA-N -1 3 382.342 3.789 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](c3c(C)nn(C)c3C)C(F)(F)F)[n-]n2)o1 ZINC000177992538 837503045 /nfs/dbraw/zinc/50/30/45/837503045.db2.gz RLMDTNGYHAACAH-OAHLLOKOSA-N -1 3 382.342 3.789 20 0 GHADHM CC(C)n1ncc2ccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc21 ZINC000186977669 837527959 /nfs/dbraw/zinc/52/79/59/837527959.db2.gz GILDUJJQIJWJJR-YWZLYKJASA-N -1 3 389.521 3.754 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc2N1CC1CC1 ZINC000187075316 837553028 /nfs/dbraw/zinc/55/30/28/837553028.db2.gz SELOCGHGNXQWQT-UHFFFAOYSA-N -1 3 396.512 3.665 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000414396554 837712134 /nfs/dbraw/zinc/71/21/34/837712134.db2.gz GICALJURWKDBPV-MRXNPFEDSA-N -1 3 391.493 3.730 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1[O-] ZINC000683075642 834353857 /nfs/dbraw/zinc/35/38/57/834353857.db2.gz PKUNOSPQKQZOME-QGZVFWFLSA-N -1 3 385.464 3.599 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccn(CCOC)c3c2)c(C)c1 ZINC000579694362 834393058 /nfs/dbraw/zinc/39/30/58/834393058.db2.gz UXLYXNXIMDTPTQ-UHFFFAOYSA-N -1 3 388.489 3.796 20 0 GHADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C1CC1 ZINC001167048546 834490500 /nfs/dbraw/zinc/49/05/00/834490500.db2.gz OLVIIWRZXLUDRO-IBGZPJMESA-N -1 3 398.459 3.580 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000583538103 834604580 /nfs/dbraw/zinc/60/45/80/834604580.db2.gz XNMNBQIBCQRUPD-UHFFFAOYSA-N -1 3 391.493 3.983 20 0 GHADHM O=C(Nc1cccc2ccccc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000170706196 834617271 /nfs/dbraw/zinc/61/72/71/834617271.db2.gz DLIZZNUWZQCNED-UHFFFAOYSA-N -1 3 375.428 3.535 20 0 GHADHM COc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000579772636 834621150 /nfs/dbraw/zinc/62/11/50/834621150.db2.gz BGHHTWVHQMCUST-CQSZACIVSA-N -1 3 383.366 3.560 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](c2ccccc2)O1 ZINC000138419180 834743489 /nfs/dbraw/zinc/74/34/89/834743489.db2.gz RBKXJMVFMMICSG-KBXCAEBGSA-N -1 3 375.428 3.631 20 0 GHADHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000150130805 834862835 /nfs/dbraw/zinc/86/28/35/834862835.db2.gz JBWDKBPDXMADGJ-GFCCVEGCSA-N -1 3 385.261 3.652 20 0 GHADHM O=C([O-])[C@@H](CNCc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000683170760 834904339 /nfs/dbraw/zinc/90/43/39/834904339.db2.gz CEQWFVCGUOSYET-QGZVFWFLSA-N -1 3 382.485 3.755 20 0 GHADHM CC(C)[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000171477499 834919843 /nfs/dbraw/zinc/91/98/43/834919843.db2.gz OYMDPUKBMKTMDR-HXUWFJFHSA-N -1 3 380.488 3.507 20 0 GHADHM Cc1ccc(-n2ncc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c2C(C)C)cc1 ZINC000655024745 834984150 /nfs/dbraw/zinc/98/41/50/834984150.db2.gz YBQUQHZKHFATQA-UHFFFAOYSA-N -1 3 377.448 3.929 20 0 GHADHM Cc1ccccc1C(=O)N[N-]C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000065891262 835144102 /nfs/dbraw/zinc/14/41/02/835144102.db2.gz FYQGUWFWWZXMIJ-UHFFFAOYSA-N -1 3 389.242 3.562 20 0 GHADHM O=C([N-]c1ccccc1SC(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066273391 835183831 /nfs/dbraw/zinc/18/38/31/835183831.db2.gz GGFDLKAMQPUTQZ-UHFFFAOYSA-N -1 3 382.344 3.933 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)c1ccc(F)cc1 ZINC000472344487 835198887 /nfs/dbraw/zinc/19/88/87/835198887.db2.gz VXAYPNBTWPEEAP-KRWDZBQOSA-N -1 3 381.400 3.685 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1noc(-c2ccccc2)n1 ZINC000509861255 844044159 /nfs/dbraw/zinc/04/41/59/844044159.db2.gz BVDICAIZZQKISU-GFCCVEGCSA-N -1 3 385.470 3.991 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)c(=O)[n-]1 ZINC000650901833 835396924 /nfs/dbraw/zinc/39/69/24/835396924.db2.gz ZISNDMYPYGYLFW-UHFFFAOYSA-N -1 3 379.382 3.556 20 0 GHADHM COc1ccccc1N=c1[nH]c2sc(C(=O)Nc3ncccc3[O-])cc2s1 ZINC000612072969 835455775 /nfs/dbraw/zinc/45/57/75/835455775.db2.gz YTGWGXPGTCBRLW-UHFFFAOYSA-N -1 3 398.469 3.885 20 0 GHADHM O=C(CCC(=O)c1ccc(F)cc1F)NCc1ccc([O-])c(Br)c1 ZINC000151535153 835509616 /nfs/dbraw/zinc/50/96/16/835509616.db2.gz NPLCRIISTYEHRU-UHFFFAOYSA-N -1 3 398.203 3.712 20 0 GHADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)nn1 ZINC000179479516 835577980 /nfs/dbraw/zinc/57/79/80/835577980.db2.gz IGSCHBSOJXNLON-UHFFFAOYSA-N -1 3 386.437 3.547 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000433379164 844074723 /nfs/dbraw/zinc/07/47/23/844074723.db2.gz XQFMFXZJMOHBSL-UHFFFAOYSA-N -1 3 385.283 3.680 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)c(C)c1 ZINC000279940822 844070588 /nfs/dbraw/zinc/07/05/88/844070588.db2.gz XHOBHLBUTCJBOB-UHFFFAOYSA-N -1 3 375.494 3.815 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151631700 835677060 /nfs/dbraw/zinc/67/70/60/835677060.db2.gz CDJSCANCYUBIKS-HNNXBMFYSA-N -1 3 382.229 3.768 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)c(F)c1F ZINC000625089243 835695449 /nfs/dbraw/zinc/69/54/49/835695449.db2.gz ZTBXNSXODASLGY-ZBFHGGJFSA-N -1 3 381.444 3.719 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c(F)cc1F ZINC000780383891 835713839 /nfs/dbraw/zinc/71/38/39/835713839.db2.gz NDEWOFAIWNILAR-UHFFFAOYSA-N -1 3 376.331 3.662 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509870034 844084535 /nfs/dbraw/zinc/08/45/35/844084535.db2.gz YFLMGTRAQBDOMG-UHFFFAOYSA-N -1 3 396.818 3.950 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1F ZINC000513005433 844088424 /nfs/dbraw/zinc/08/84/24/844088424.db2.gz WAQVOYRNBWSLAK-KDOFPFPSSA-N -1 3 381.444 3.719 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1Cl ZINC000431185048 844095943 /nfs/dbraw/zinc/09/59/43/844095943.db2.gz XRNLMJPSILLRKJ-UHFFFAOYSA-N -1 3 391.779 3.529 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000109364742 835893033 /nfs/dbraw/zinc/89/30/33/835893033.db2.gz GFDWSMMIEIHKKW-CJNGLKHVSA-N -1 3 389.293 3.720 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000584466613 836028517 /nfs/dbraw/zinc/02/85/17/836028517.db2.gz DQQPNURDPANJDX-HUUCEWRRSA-N -1 3 397.878 3.686 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000375944273 836287314 /nfs/dbraw/zinc/28/73/14/836287314.db2.gz ZXWFKOSRAQPZFD-KRWDZBQOSA-N -1 3 390.528 3.684 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000375944273 836287320 /nfs/dbraw/zinc/28/73/20/836287320.db2.gz ZXWFKOSRAQPZFD-KRWDZBQOSA-N -1 3 390.528 3.684 20 0 GHADHM COCCC1(C(=O)Nc2cc(I)ccc2[O-])CCCC1 ZINC000610765722 844153121 /nfs/dbraw/zinc/15/31/21/844153121.db2.gz BGRAYAWVQSHYKJ-UHFFFAOYSA-N -1 3 389.233 3.532 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000312487530 836458711 /nfs/dbraw/zinc/45/87/11/836458711.db2.gz ILZMYPCUYOQJQV-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)cc1Cl ZINC000461206007 836709580 /nfs/dbraw/zinc/70/95/80/836709580.db2.gz DJXORTBQMOIQJW-UHFFFAOYSA-N -1 3 391.880 3.952 20 0 GHADHM COc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1OCCC(C)C ZINC000636115014 836712218 /nfs/dbraw/zinc/71/22/18/836712218.db2.gz SWZUVPNBXYZRPG-UHFFFAOYSA-N -1 3 387.480 3.589 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1ccc(OC(F)F)cc1 ZINC000175303905 836776021 /nfs/dbraw/zinc/77/60/21/836776021.db2.gz FMZGTALFRKKNBU-UHFFFAOYSA-N -1 3 398.291 3.847 20 0 GHADHM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cccc2n[n-]nc21 ZINC000119128553 836785094 /nfs/dbraw/zinc/78/50/94/836785094.db2.gz UDUBMHJNKPAPNH-UHFFFAOYSA-N -1 3 382.383 3.946 20 0 GHADHM O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000175775466 836997659 /nfs/dbraw/zinc/99/76/59/836997659.db2.gz OFQCTLURIMFQJT-UHFFFAOYSA-N -1 3 387.379 3.754 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cn1 ZINC000430404079 837041899 /nfs/dbraw/zinc/04/18/99/837041899.db2.gz QVQWCYAPTLXULU-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM COCCC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000186271397 837118646 /nfs/dbraw/zinc/11/86/46/837118646.db2.gz VEFHKOBDXWBWGR-UHFFFAOYSA-N -1 3 390.505 3.797 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccn(C2CCCC2)n1 ZINC000610795673 844240561 /nfs/dbraw/zinc/24/05/61/844240561.db2.gz KDPMLPHLIZSLGG-UHFFFAOYSA-N -1 3 397.216 3.561 20 0 GHADHM COc1ccc(C(C)(C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1F ZINC001167278130 837154161 /nfs/dbraw/zinc/15/41/61/837154161.db2.gz JJECNGCLEZQNMY-UHFFFAOYSA-N -1 3 388.826 3.994 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000052400230 844249705 /nfs/dbraw/zinc/24/97/05/844249705.db2.gz CZANWUUETLVZNG-LJQANCHMSA-N -1 3 392.846 3.847 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(Cc3ccccc3)s2)c1 ZINC000176335173 837273947 /nfs/dbraw/zinc/27/39/47/837273947.db2.gz KHFISMCYWZKRFG-UHFFFAOYSA-N -1 3 390.461 3.529 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1ccc(C(=O)OC)o1 ZINC000415734591 838046595 /nfs/dbraw/zinc/04/65/95/838046595.db2.gz YLEHXHLOSBRLCE-UHFFFAOYSA-N -1 3 391.323 3.576 20 0 GHADHM Cc1cc([C@H](C)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)oc1C(=O)[O-] ZINC000579961940 838084691 /nfs/dbraw/zinc/08/46/91/838084691.db2.gz RMBNRDMWXNONPW-RYUDHWBXSA-N -1 3 385.386 3.979 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(C3CCCCC3)n2)CC1 ZINC000177745375 838211121 /nfs/dbraw/zinc/21/11/21/838211121.db2.gz MWHBAWRYPHZATG-UHFFFAOYSA-N -1 3 385.533 3.854 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)C1CC1 ZINC000242719668 838319687 /nfs/dbraw/zinc/31/96/87/838319687.db2.gz DAZOKTGHXOKVPK-UHFFFAOYSA-N -1 3 384.501 3.882 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000589167250 838333809 /nfs/dbraw/zinc/33/38/09/838333809.db2.gz SCIZQOCEJJVPSM-UHFFFAOYSA-N -1 3 388.214 3.640 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccsc3)nc(=O)c2c1C ZINC000128415010 838446481 /nfs/dbraw/zinc/44/64/81/838446481.db2.gz VWJNDTQFKKDXML-NSHDSACASA-N -1 3 391.518 3.724 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCC3CCC(C(C)C)CC3)c(=O)c2c(OC)c1 ZINC000626207170 838455108 /nfs/dbraw/zinc/45/51/08/838455108.db2.gz POERQCVCRKPISK-UHFFFAOYSA-N -1 3 386.492 3.738 20 0 GHADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000589696491 838506017 /nfs/dbraw/zinc/50/60/17/838506017.db2.gz KIDJNOTXMJGDBU-UHFFFAOYSA-N -1 3 393.491 3.772 20 0 GHADHM CO[C@@H](CC(C)C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000416121973 838583651 /nfs/dbraw/zinc/58/36/51/838583651.db2.gz MFXHUIOOZWCQCE-IBGZPJMESA-N -1 3 390.505 3.795 20 0 GHADHM CC(C)(C)c1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000414660363 838732128 /nfs/dbraw/zinc/73/21/28/838732128.db2.gz PDFZOYXKHKIQQW-PMACEKPBSA-N -1 3 380.488 3.501 20 0 GHADHM CC(C)[C@@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000045409072 838828385 /nfs/dbraw/zinc/82/83/85/838828385.db2.gz LYMLCKDOQHXKOR-MRXNPFEDSA-N -1 3 390.827 3.590 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2ccsc2)CC1 ZINC000046027287 838906883 /nfs/dbraw/zinc/90/68/83/838906883.db2.gz JSTBNAKISCVNAH-UHFFFAOYSA-N -1 3 393.896 3.667 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)c1 ZINC000183288104 838921073 /nfs/dbraw/zinc/92/10/73/838921073.db2.gz WFCIGFLVHBGCQA-AWEZNQCLSA-N -1 3 395.484 3.829 20 0 GHADHM CCCN(CC1CC1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183305519 838927086 /nfs/dbraw/zinc/92/70/86/838927086.db2.gz IWOPXZGJYUTDLS-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM Cc1c([O-])ccc2c(CN(Cc3ccco3)Cc3cccnc3)cc(=O)oc12 ZINC000182057814 838963416 /nfs/dbraw/zinc/96/34/16/838963416.db2.gz WQCCLLPOHZQZIX-UHFFFAOYSA-N -1 3 376.412 3.997 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)N3CCCc4c(=O)[n-]cnc43)CCC2)cc1 ZINC000893216895 838998695 /nfs/dbraw/zinc/99/86/95/838998695.db2.gz XTTBHVPMUKVJTR-UHFFFAOYSA-N -1 3 381.476 3.618 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183595569 839022939 /nfs/dbraw/zinc/02/29/39/839022939.db2.gz TYMLEBJAUZXURA-OLZOCXBDSA-N -1 3 375.494 3.503 20 0 GHADHM Cc1csc(N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000183814864 839085872 /nfs/dbraw/zinc/08/58/72/839085872.db2.gz QTZYMQHFLHZZGW-GOSISDBHSA-N 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/nfs/dbraw/zinc/22/08/51/839220851.db2.gz GWMRUQQBPUGKJB-UHFFFAOYSA-N -1 3 388.349 3.924 20 0 GHADHM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000891237617 839226083 /nfs/dbraw/zinc/22/60/83/839226083.db2.gz XCKVQBOXNFSZSR-UHFFFAOYSA-N -1 3 384.791 3.821 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)cn1C ZINC000416450492 839243836 /nfs/dbraw/zinc/24/38/36/839243836.db2.gz MUWZQAFQUOOFRU-ZDUSSCGKSA-N -1 3 393.406 3.655 20 0 GHADHM C[C@H]1OCC[C@]12CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000548076517 839247127 /nfs/dbraw/zinc/24/71/27/839247127.db2.gz PGEJNQSBPRZSBH-GGUMNFRJSA-N -1 3 395.499 3.586 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)c[n-]c12 ZINC000155659079 839247629 /nfs/dbraw/zinc/24/76/29/839247629.db2.gz IJKDRYSNQZEKSO-KRWDZBQOSA-N -1 3 396.418 3.786 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000416501180 839326214 /nfs/dbraw/zinc/32/62/14/839326214.db2.gz HAXHUTTZPKEWJZ-JTQLQIEISA-N -1 3 396.734 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GHADHM O=C([O-])[C@@H](CSCc1cccc2cccnc21)NCc1ccc(F)cc1F ZINC000581048169 840635628 /nfs/dbraw/zinc/63/56/28/840635628.db2.gz NRVDFCPKPRCGMP-GOSISDBHSA-N -1 3 388.439 3.989 20 0 GHADHM CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(Br)c3[O-])cccc21 ZINC000581051524 840640779 /nfs/dbraw/zinc/64/07/79/840640779.db2.gz NARSGMOTXUSTOA-HNNXBMFYSA-N -1 3 391.265 3.792 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccnc1C(F)(F)F ZINC000584737464 840716761 /nfs/dbraw/zinc/71/67/61/840716761.db2.gz PMDLHZZUEULQCV-JSGCOSHPSA-N -1 3 388.386 3.854 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268370 840723880 /nfs/dbraw/zinc/72/38/80/840723880.db2.gz NKAGLNHCMFYBCD-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM O=c1nc(CSC(=S)N2CCCC2)[n-]c2scc(-c3ccco3)c21 ZINC000026043498 840797986 /nfs/dbraw/zinc/79/79/86/840797986.db2.gz KMKHFHVPYSNUMW-UHFFFAOYSA-N -1 3 377.516 3.859 20 0 GHADHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000510369105 840852117 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COc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)cc(OC)c1OCC(F)F ZINC000417665181 841113957 /nfs/dbraw/zinc/11/39/57/841113957.db2.gz BOMKATIHTNNWTC-UHFFFAOYSA-N -1 3 395.402 3.644 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000660745170 841150082 /nfs/dbraw/zinc/15/00/82/841150082.db2.gz BLHPPLVCRQYHEO-UHFFFAOYSA-N -1 3 390.487 3.549 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(OCc3ccccc3F)nc2)n1 ZINC000660751018 841155195 /nfs/dbraw/zinc/15/51/95/841155195.db2.gz HGQKDOBUXFSALZ-UHFFFAOYSA-N -1 3 382.439 3.629 20 0 GHADHM CCCN1C[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CC1=O ZINC000643144826 841178565 /nfs/dbraw/zinc/17/85/65/841178565.db2.gz IHGJOCGEMXCZDS-MRXNPFEDSA-N -1 3 393.443 3.747 20 0 GHADHM O=C([O-])C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccsc1 ZINC000277096176 844617759 /nfs/dbraw/zinc/61/77/59/844617759.db2.gz YLRAUMHVGDMGMV-CYBMUJFWSA-N -1 3 398.278 3.587 20 0 GHADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000473035946 841219175 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Cc1cc(Br)c(Cl)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000656634459 841622073 /nfs/dbraw/zinc/62/20/73/841622073.db2.gz ZIGWZHKTCHNCNU-SNVBAGLBSA-N -1 3 382.707 3.722 20 0 GHADHM O=C(c1ncc2ccccc2c1[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000667877501 861221265 /nfs/dbraw/zinc/22/12/65/861221265.db2.gz PPXSQYYXWPBJHI-UHFFFAOYSA-N -1 3 389.499 3.721 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000185727075 861239149 /nfs/dbraw/zinc/23/91/49/861239149.db2.gz XQEBOLBQVWEWTH-NWNNTGRJSA-N -1 3 381.863 3.738 20 0 GHADHM C[S@@](=O)c1cccc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1 ZINC000613803547 841868208 /nfs/dbraw/zinc/86/82/08/841868208.db2.gz YVKLCSDVCWXGGP-RUZDIDTESA-N -1 3 394.283 3.795 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000656756828 841891497 /nfs/dbraw/zinc/89/14/97/841891497.db2.gz HXLZBEHDWBYXQW-SJORKVTESA-N -1 3 394.393 3.746 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCCC[C@@H]12 ZINC000656763133 841897597 /nfs/dbraw/zinc/89/75/97/841897597.db2.gz DURBZHDLDGSDAF-GUTXKFCHSA-N -1 3 396.281 3.643 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(Br)c1 ZINC000656769052 841907234 /nfs/dbraw/zinc/90/72/34/841907234.db2.gz OYMZNCDYIQKBLS-NVXWUHKLSA-N -1 3 382.298 3.928 20 0 GHADHM Cc1nc(C)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(=O)[n-]1 ZINC000051157112 842010424 /nfs/dbraw/zinc/01/04/24/842010424.db2.gz YANQVAVFRUMXHR-OAHLLOKOSA-N -1 3 398.875 3.583 20 0 GHADHM CCCc1c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cnn1-c1ccc(C)cc1 ZINC000430639244 842017334 /nfs/dbraw/zinc/01/73/34/842017334.db2.gz OSVUCCVNWNKNML-UHFFFAOYSA-N -1 3 386.459 3.593 20 0 GHADHM Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1ccc2[n-]c(=O)nc-2[nH]1 ZINC000647742489 842029004 /nfs/dbraw/zinc/02/90/04/842029004.db2.gz DUCHULQWIAEHHB-UHFFFAOYSA-N -1 3 384.399 3.539 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000730768982 861266355 /nfs/dbraw/zinc/26/63/55/861266355.db2.gz WFIYWNSBTRRZIP-UHFFFAOYSA-N -1 3 394.924 3.930 20 0 GHADHM C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000656922369 842413126 /nfs/dbraw/zinc/41/31/26/842413126.db2.gz IUNWUCRXGKZNLU-QWRGUYRKSA-N -1 3 383.436 3.686 20 0 GHADHM CCc1cccc(OCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC000049301767 842467415 /nfs/dbraw/zinc/46/74/15/842467415.db2.gz KIQNKVVPAGDUIN-UHFFFAOYSA-N -1 3 377.444 3.579 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc(C)oc3C(F)(F)F)n[nH]2)c(OC)c1 ZINC000471777644 842482085 /nfs/dbraw/zinc/48/20/85/842482085.db2.gz BIWZUCOASOIMKP-UHFFFAOYSA-N -1 3 396.325 3.661 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1F ZINC000432284176 842513188 /nfs/dbraw/zinc/51/31/88/842513188.db2.gz KQTWPEZPWOKSJG-KRWDZBQOSA-N -1 3 383.872 3.661 20 0 GHADHM COc1ccc(C2CCN(Cc3oc(-c4ccccc4)nc3C(=O)[O-])CC2)nc1 ZINC000652425226 842515906 /nfs/dbraw/zinc/51/59/06/842515906.db2.gz IBOANLAJAULXRL-UHFFFAOYSA-N -1 3 393.443 3.823 20 0 GHADHM COCc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001213578948 842532814 /nfs/dbraw/zinc/53/28/14/842532814.db2.gz RJYKTLNHXTXSGS-UHFFFAOYSA-N -1 3 375.277 3.831 20 0 GHADHM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000184358231 842541103 /nfs/dbraw/zinc/54/11/03/842541103.db2.gz SLPZPHIHXCCRSF-UHFFFAOYSA-N -1 3 390.886 3.965 20 0 GHADHM O=C(CCSc1ccccc1Cl)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027682694 842608952 /nfs/dbraw/zinc/60/89/52/842608952.db2.gz RSBAYYAFECGTMK-UHFFFAOYSA-N -1 3 385.876 3.832 20 0 GHADHM O=C([O-])[C@@H]1CN(CCOc2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000652506276 842637745 /nfs/dbraw/zinc/63/77/45/842637745.db2.gz RQNABOMFNVZTLX-HZPDHXFCSA-N -1 3 390.277 3.628 20 0 GHADHM O=c1[n-]c(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc2c3ccccc3oc21 ZINC000613964032 842745849 /nfs/dbraw/zinc/74/58/49/842745849.db2.gz INOMBXFUIWPMOQ-HZPDHXFCSA-N -1 3 386.455 3.650 20 0 GHADHM CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000050809034 842810163 /nfs/dbraw/zinc/81/01/63/842810163.db2.gz KGJVNYZQKILGGC-UHFFFAOYSA-N -1 3 378.469 3.935 20 0 GHADHM COCc1csc([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)n1 ZINC001126212779 842915930 /nfs/dbraw/zinc/91/59/30/842915930.db2.gz HEPRCNHRAUZETF-UHFFFAOYSA-N -1 3 394.250 3.959 20 0 GHADHM CN(c1ccccc1)c1ccc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)cn1 ZINC000663260563 842936364 /nfs/dbraw/zinc/93/63/64/842936364.db2.gz BJCVXULLBSCFBJ-OAHLLOKOSA-N -1 3 381.398 3.982 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)sc1Cl ZINC000432303093 842945310 /nfs/dbraw/zinc/94/53/10/842945310.db2.gz UHVXJJAHGVJXKY-UHFFFAOYSA-N -1 3 384.832 3.645 20 0 GHADHM CCN(Cc1ccccc1C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000184971972 842981454 /nfs/dbraw/zinc/98/14/54/842981454.db2.gz MLYKIGVMMUCECG-UHFFFAOYSA-N -1 3 393.443 3.912 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](CC(F)(F)F)O1 ZINC000662233645 842987306 /nfs/dbraw/zinc/98/73/06/842987306.db2.gz FKYAGANKOXGTPW-QWRGUYRKSA-N -1 3 381.354 3.623 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000185779014 843029439 /nfs/dbraw/zinc/02/94/39/843029439.db2.gz YATUJAJAMSDINO-SCLBCKFNSA-N -1 3 385.464 3.982 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000471877802 843178956 /nfs/dbraw/zinc/17/89/56/843178956.db2.gz PIWUGWYCHGHOLO-AWEZNQCLSA-N -1 3 397.422 3.802 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)ccc1F ZINC000471892369 843296517 /nfs/dbraw/zinc/29/65/17/843296517.db2.gz HVALMWGFRHHDLR-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)c(F)c3)n2)cc1F ZINC000471897291 843320388 /nfs/dbraw/zinc/32/03/88/843320388.db2.gz GXFCXIYBCXEHRF-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM Cc1cc(C)n(Cc2cccc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)c2)n1 ZINC000512326989 843386269 /nfs/dbraw/zinc/38/62/69/843386269.db2.gz WMMBDDULSZPYAW-UHFFFAOYSA-N -1 3 385.471 3.921 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(=O)OC(C)C ZINC000431173321 843773408 /nfs/dbraw/zinc/77/34/08/843773408.db2.gz QBSCDHHTCCOZFK-UHFFFAOYSA-N -1 3 387.379 3.778 20 0 GHADHM CCn1cncc1S(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000512432720 843779151 /nfs/dbraw/zinc/77/91/51/843779151.db2.gz SEKKFFSXBYREQH-MRXNPFEDSA-N -1 3 383.395 3.638 20 0 GHADHM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432775352 843780957 /nfs/dbraw/zinc/78/09/57/843780957.db2.gz UNOKKGYVMZRRFS-UHFFFAOYSA-N -1 3 383.311 3.878 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Br ZINC000431178637 843780993 /nfs/dbraw/zinc/78/09/93/843780993.db2.gz KDNRXCBIGIXFFD-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1Cl ZINC000431182983 843817431 /nfs/dbraw/zinc/81/74/31/843817431.db2.gz WLVJGXRKUNHWIF-UHFFFAOYSA-N -1 3 382.850 3.537 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2ccc(C)c(C)c2)[nH][n-]1 ZINC000512854546 843882450 /nfs/dbraw/zinc/88/24/50/843882450.db2.gz JZQSGZZDKVXVOJ-UHFFFAOYSA-N -1 3 385.851 3.795 20 0 GHADHM CCc1ccccc1OCC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000512858517 843895432 /nfs/dbraw/zinc/89/54/32/843895432.db2.gz ZHNJJSFWEHPRNE-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM [O-]c1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)cc1F ZINC000120507965 843897234 /nfs/dbraw/zinc/89/72/34/843897234.db2.gz IHGFDPJFTJWTHQ-UHFFFAOYSA-N -1 3 376.229 3.974 20 0 GHADHM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000549865327 844681196 /nfs/dbraw/zinc/68/11/96/844681196.db2.gz SVOIGFLGFIIQKX-UHFFFAOYSA-N -1 3 385.835 3.844 20 0 GHADHM O=C(COc1ccccc1NCc1c(F)ccc([O-])c1F)Nc1cccnc1 ZINC000512595721 844698626 /nfs/dbraw/zinc/69/86/26/844698626.db2.gz UWNBNJJQYBESDZ-UHFFFAOYSA-N -1 3 385.370 3.695 20 0 GHADHM O=C(CSCc1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000610861909 844708613 /nfs/dbraw/zinc/70/86/13/844708613.db2.gz NIPIUGLPGWTKEO-UHFFFAOYSA-N -1 3 384.270 3.843 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(OC)c(OC)cc2SC)c1 ZINC000277131272 844716078 /nfs/dbraw/zinc/71/60/78/844716078.db2.gz BQDXUZBVLAIOPS-MRXNPFEDSA-N -1 3 391.489 3.740 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(C)c(Cl)cc1OC)c2=O ZINC000535835920 844772681 /nfs/dbraw/zinc/77/26/81/844772681.db2.gz WBYPURRSEICATI-UHFFFAOYSA-N -1 3 390.798 3.899 20 0 GHADHM CC(C)[C@@H](NC(=O)CO[N-]C(=O)CCCc1ccccc1)c1ccc(F)cc1 ZINC000729264116 844817479 /nfs/dbraw/zinc/81/74/79/844817479.db2.gz XOQIFQJBJOBWAQ-JOCHJYFZSA-N -1 3 386.467 3.710 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000411233308 845138446 /nfs/dbraw/zinc/13/84/46/845138446.db2.gz XOZHFMDYABMODF-UHFFFAOYSA-N -1 3 386.879 3.596 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCS1 ZINC000429847029 845140409 /nfs/dbraw/zinc/14/04/09/845140409.db2.gz FYHNXFKDXKSRRZ-GFCCVEGCSA-N -1 3 384.748 3.667 20 0 GHADHM CC(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000663969202 845173179 /nfs/dbraw/zinc/17/31/79/845173179.db2.gz GADPXFHLNDBEQO-GHMZBOCLSA-N -1 3 383.288 3.798 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000277245121 845393188 /nfs/dbraw/zinc/39/31/88/845393188.db2.gz JLYZRLNLZWVBHU-QGZVFWFLSA-N -1 3 383.872 3.964 20 0 GHADHM O=C(COc1ccc(Oc2ccccc2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026252542 845518965 /nfs/dbraw/zinc/51/89/65/845518965.db2.gz LDIXEROWHKHYKV-UHFFFAOYSA-N -1 3 378.310 3.633 20 0 GHADHM O=C(COc1ccc(Oc2ccccc2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026252542 845518971 /nfs/dbraw/zinc/51/89/71/845518971.db2.gz LDIXEROWHKHYKV-UHFFFAOYSA-N -1 3 378.310 3.633 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc2c1OCCCO2 ZINC000431293287 845637059 /nfs/dbraw/zinc/63/70/59/845637059.db2.gz FGNJAQUZOVSQEG-UHFFFAOYSA-N -1 3 391.420 3.520 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1c(F)cncc1F ZINC000511025157 845709092 /nfs/dbraw/zinc/70/90/92/845709092.db2.gz DRCGZHSWPVHVQM-ZETCQYMHSA-N -1 3 384.301 3.557 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1c(F)cncc1F ZINC000511030531 845738603 /nfs/dbraw/zinc/73/86/03/845738603.db2.gz NSUWXYGKBBGQGC-QMMMGPOBSA-N -1 3 381.231 3.847 20 0 GHADHM COc1ccc(Oc2ccc(CCNC(=O)NCc3ncccc3[O-])cc2)cc1 ZINC000472139684 846112341 /nfs/dbraw/zinc/11/23/41/846112341.db2.gz GEUBCOAVSXDCAP-UHFFFAOYSA-N -1 3 393.443 3.630 20 0 GHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000277460238 846223038 /nfs/dbraw/zinc/22/30/38/846223038.db2.gz VMYLBLSTIHTNDZ-MRXNPFEDSA-N -1 3 385.489 3.585 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c1Cl ZINC000511068000 846252609 /nfs/dbraw/zinc/25/26/09/846252609.db2.gz GWXVAJLETSSESB-UHFFFAOYSA-N -1 3 396.299 3.966 20 0 GHADHM CC1=C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000684758432 846392888 /nfs/dbraw/zinc/39/28/88/846392888.db2.gz BMYGINRSKUXUOS-CQSZACIVSA-N -1 3 388.464 3.665 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000375668853 846396486 /nfs/dbraw/zinc/39/64/86/846396486.db2.gz LFHPFSVJDOMXIK-UHFFFAOYSA-N -1 3 394.500 3.780 20 0 GHADHM O=C(CCc1cc(Br)cs1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000502752236 846434567 /nfs/dbraw/zinc/43/45/67/846434567.db2.gz PKACPQLQYPFVJM-UHFFFAOYSA-N -1 3 376.279 3.894 20 0 GHADHM CC1(C)CCC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421682160 846485244 /nfs/dbraw/zinc/48/52/44/846485244.db2.gz LKHBOPSTFAGPST-SECBINFHSA-N -1 3 382.224 3.785 20 0 GHADHM COC[C@H](C)n1c(C)cc(C(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000419607333 846673584 /nfs/dbraw/zinc/67/35/84/846673584.db2.gz ULSOEWALPXYDQB-ZDUSSCGKSA-N -1 3 389.521 3.801 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2cc(F)ccc21 ZINC000501153559 846685985 /nfs/dbraw/zinc/68/59/85/846685985.db2.gz CXMQNXYCNBWCDJ-MRXNPFEDSA-N -1 3 397.855 3.622 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)n[n-]2)o1 ZINC000501251548 846767590 /nfs/dbraw/zinc/76/75/90/846767590.db2.gz YNPRKHZOQDHTSK-UHFFFAOYSA-N -1 3 386.318 3.613 20 0 GHADHM Cc1nc(NC(=O)c2cc(F)cc3n[n-]nc32)sc1Cc1ccccc1F ZINC000503156215 846850647 /nfs/dbraw/zinc/85/06/47/846850647.db2.gz ARJPWAKJCNDLHB-UHFFFAOYSA-N -1 3 385.399 3.844 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000503161791 846860314 /nfs/dbraw/zinc/86/03/14/846860314.db2.gz VYEPUGYYXFHDFK-CQSZACIVSA-N -1 3 393.582 3.713 20 0 GHADHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000179726810 861732707 /nfs/dbraw/zinc/73/27/07/861732707.db2.gz KVYKFMCMGQRKFI-UHFFFAOYSA-N -1 3 386.477 3.553 20 0 GHADHM O=c1cc(C[S@](=O)Cc2cc(F)c(C(F)(F)F)cc2F)nc(C2CC2)[n-]1 ZINC000582349484 846918047 /nfs/dbraw/zinc/91/80/47/846918047.db2.gz VSVPNYCOVIXUDZ-AREMUKBSSA-N -1 3 392.349 3.806 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)cc1 ZINC000110094936 846935922 /nfs/dbraw/zinc/93/59/22/846935922.db2.gz CZWHCQLAZSSRGZ-UHFFFAOYSA-N -1 3 385.445 3.635 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000731616143 861758812 /nfs/dbraw/zinc/75/88/12/861758812.db2.gz CJDUCLUVQLLETQ-HNNXBMFYSA-N -1 3 381.762 3.764 20 0 GHADHM COc1cc(OC)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1Cl ZINC000414453827 847175009 /nfs/dbraw/zinc/17/50/09/847175009.db2.gz POOXZKAOLXFJGU-OAHLLOKOSA-N -1 3 391.823 3.642 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000582443436 847256432 /nfs/dbraw/zinc/25/64/32/847256432.db2.gz NBPCDVJYNLVWSB-UHFFFAOYSA-N -1 3 380.242 3.744 20 0 GHADHM [O-]c1ccc(CNCc2c(Br)cncc2Br)cc1F ZINC000582458154 847298598 /nfs/dbraw/zinc/29/85/98/847298598.db2.gz XPYVWEVFQIWKGS-UHFFFAOYSA-N -1 3 390.050 3.741 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000509961308 847311520 /nfs/dbraw/zinc/31/15/20/847311520.db2.gz QTOZPGPYGTXWGI-HUUCEWRRSA-N -1 3 397.846 3.842 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C3)nc2)n1 ZINC000420635218 847343290 /nfs/dbraw/zinc/34/32/90/847343290.db2.gz LYKFTVTWERDUQE-GOEBONIOSA-N -1 3 398.507 3.611 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420707675 847387330 /nfs/dbraw/zinc/38/73/30/847387330.db2.gz ZFRQXURRNULOQN-UHFFFAOYSA-N -1 3 394.827 3.533 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCC[C@H]3C(=O)OCc3ccccc3)cc(=O)oc12 ZINC000731667957 861799065 /nfs/dbraw/zinc/79/90/65/861799065.db2.gz XVMNNHQFDOSXSC-IBGZPJMESA-N -1 3 393.439 3.515 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H]1CC1(C)C ZINC001212219332 890818913 /nfs/dbraw/zinc/81/89/13/890818913.db2.gz FVOHWDYSGBYAEZ-ONGXEEELSA-N -1 3 381.723 3.601 20 0 GHADHM CC(C)(C)c1ccc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000414660365 847619679 /nfs/dbraw/zinc/61/96/79/847619679.db2.gz PDFZOYXKHKIQQW-UXHICEINSA-N -1 3 380.488 3.501 20 0 GHADHM CC(C)(C)c1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)s1 ZINC000414669248 847688531 /nfs/dbraw/zinc/68/85/31/847688531.db2.gz XXGUIPJVBAWAHI-WMZOPIPTSA-N -1 3 386.517 3.562 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000422595725 847727766 /nfs/dbraw/zinc/72/77/66/847727766.db2.gz ZXLHUSATTHCDFG-IFIJOSMWSA-N -1 3 399.318 3.700 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)c(=O)c2c(OC)c1 ZINC000625406405 861825759 /nfs/dbraw/zinc/82/57/59/861825759.db2.gz CAHVZDKAAGTGPJ-HNNXBMFYSA-N -1 3 394.471 3.523 20 0 GHADHM O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC000503539431 847773280 /nfs/dbraw/zinc/77/32/80/847773280.db2.gz VPSRMZMPHGTXGC-KRWDZBQOSA-N -1 3 395.825 3.859 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](OCc4ccncc4)C3)c2c1 ZINC000582610365 847780081 /nfs/dbraw/zinc/78/00/81/847780081.db2.gz WVEDAPHCKQGSAG-KRWDZBQOSA-N -1 3 377.444 3.740 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc(F)c1Br ZINC000421236490 847869502 /nfs/dbraw/zinc/86/95/02/847869502.db2.gz AEASIKOZQFCWEN-NSHDSACASA-N -1 3 382.295 3.699 20 0 GHADHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1c(F)cccc1Cl ZINC000785142376 847941344 /nfs/dbraw/zinc/94/13/44/847941344.db2.gz CTGSWQKBKXJRDL-OAHLLOKOSA-N -1 3 378.743 3.533 20 0 GHADHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1c(F)cccc1Cl ZINC000785142376 847941349 /nfs/dbraw/zinc/94/13/49/847941349.db2.gz CTGSWQKBKXJRDL-OAHLLOKOSA-N -1 3 378.743 3.533 20 0 GHADHM CCCCOc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000116774822 848044884 /nfs/dbraw/zinc/04/48/84/848044884.db2.gz IIWCLRGGVZOISB-UHFFFAOYSA-N -1 3 384.476 3.947 20 0 GHADHM CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481616544 861862668 /nfs/dbraw/zinc/86/26/68/861862668.db2.gz VEAVJYJMGSDXDS-UHFFFAOYSA-N -1 3 386.882 3.527 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)ccc1F ZINC000728506056 848113894 /nfs/dbraw/zinc/11/38/94/848113894.db2.gz YAOJEVOLCJWECQ-CYBMUJFWSA-N -1 3 395.452 3.981 20 0 GHADHM CCOC(=O)c1csc(C2CCN(C(=O)c3cc(CC)ccc3[O-])CC2)n1 ZINC000192262133 861874416 /nfs/dbraw/zinc/87/44/16/861874416.db2.gz QDWORENBFOJLLC-UHFFFAOYSA-N -1 3 388.489 3.608 20 0 GHADHM Fc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CCO2)c1 ZINC000737668588 861878115 /nfs/dbraw/zinc/87/81/15/861878115.db2.gz WBARXVUVHAWLOF-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CCO2)c1 ZINC000737668588 861878125 /nfs/dbraw/zinc/87/81/25/861878125.db2.gz WBARXVUVHAWLOF-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3)c3cccc1c23 ZINC000731782086 861888846 /nfs/dbraw/zinc/88/88/46/861888846.db2.gz YMHJDZMGYIDCRN-UHFFFAOYSA-N -1 3 393.468 3.807 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000731916510 861958378 /nfs/dbraw/zinc/95/83/78/861958378.db2.gz WOACJLXCYUWBGL-QGZVFWFLSA-N -1 3 390.439 3.562 20 0 GHADHM CCn1c(Sc2nc3ccccc3c(=O)[n-]2)nnc1-c1ccccc1OC ZINC000731919817 861959581 /nfs/dbraw/zinc/95/95/81/861959581.db2.gz AHGIOLZLJBYYQG-UHFFFAOYSA-N -1 3 379.445 3.774 20 0 GHADHM Cc1cccc([C@@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1C ZINC000426736377 849130991 /nfs/dbraw/zinc/13/09/91/849130991.db2.gz XOGALPUJNGXMNQ-MRXNPFEDSA-N -1 3 392.249 3.710 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000278229350 849750993 /nfs/dbraw/zinc/75/09/93/849750993.db2.gz VDNBISYCPFZJCG-SFHVURJKSA-N -1 3 399.491 3.754 20 0 GHADHM COc1ccc(C)cc1CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000503930865 849778017 /nfs/dbraw/zinc/77/80/17/849778017.db2.gz ZUDNCNNMBNBBPI-UHFFFAOYSA-N -1 3 392.459 3.839 20 0 GHADHM COCCOC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000278236440 849797996 /nfs/dbraw/zinc/79/79/96/849797996.db2.gz AKEHEAKXXDLOOZ-JTQLQIEISA-N -1 3 394.474 3.641 20 0 GHADHM O=S(=O)([N-]CCSc1ccccc1)c1cc(F)ccc1Br ZINC000434960031 849947928 /nfs/dbraw/zinc/94/79/28/849947928.db2.gz YZLNCVSMRTYHRG-UHFFFAOYSA-N -1 3 390.299 3.659 20 0 GHADHM CCCCOc1cccc([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)c1 ZINC000506602699 850070353 /nfs/dbraw/zinc/07/03/53/850070353.db2.gz RDSOEQFGSOIKBO-LJQANCHMSA-N -1 3 391.489 3.564 20 0 GHADHM COC(=O)c1ccc(-c2nc(CCCc3ccccc3Br)no2)[n-]1 ZINC000426418113 850081858 /nfs/dbraw/zinc/08/18/58/850081858.db2.gz VYCWIVMTYYVPCG-UHFFFAOYSA-N -1 3 390.237 3.789 20 0 GHADHM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000908419481 850092917 /nfs/dbraw/zinc/09/29/17/850092917.db2.gz OLOZFOKJZYEVPO-BBRMVZONSA-N -1 3 386.414 3.602 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)cccc2Br)c([O-])c1 ZINC000486801860 850125248 /nfs/dbraw/zinc/12/52/48/850125248.db2.gz QXZQCBFYGFLDEY-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1ccc(Br)s1 ZINC000504537820 850128485 /nfs/dbraw/zinc/12/84/85/850128485.db2.gz DJEBNOLPCOEDET-LLVKDONJSA-N -1 3 388.308 3.703 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC000510018787 850165570 /nfs/dbraw/zinc/16/55/70/850165570.db2.gz KPZZJKJTZVQTGX-LBPRGKRZSA-N -1 3 385.835 3.986 20 0 GHADHM COc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccccc4F)n3)cs2)cc1 ZINC000518852031 850247459 /nfs/dbraw/zinc/24/74/59/850247459.db2.gz LLZYFDYAYUXPFC-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000908739552 850313878 /nfs/dbraw/zinc/31/38/78/850313878.db2.gz FPQDPTUJNMSSMC-ZFWWWQNUSA-N -1 3 398.425 3.554 20 0 GHADHM C[C@@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000424251785 850314144 /nfs/dbraw/zinc/31/41/44/850314144.db2.gz CTYFDWSNZSBGPG-TZMCWYRMSA-N -1 3 387.307 3.890 20 0 GHADHM C[C@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000424251833 850314371 /nfs/dbraw/zinc/31/43/71/850314371.db2.gz CWIAUMFAKNAJKB-GXTWGEPZSA-N -1 3 387.307 3.890 20 0 GHADHM Cc1ccc([C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C(=O)[O-])cc1C ZINC000908751097 850328325 /nfs/dbraw/zinc/32/83/25/850328325.db2.gz JHVAWLICSMNGLF-RTWAWAEBSA-N -1 3 395.503 3.565 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000908758097 850334865 /nfs/dbraw/zinc/33/48/65/850334865.db2.gz YXYNWHKCVYZIHL-NHCUHLMSSA-N -1 3 395.503 3.508 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccsc1 ZINC000908801615 850369186 /nfs/dbraw/zinc/36/91/86/850369186.db2.gz BCQYUFBLNKNATM-INIZCTEOSA-N -1 3 381.542 3.608 20 0 GHADHM CCC[C@]1(C(=O)[O-])CCCN1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000908900804 850465909 /nfs/dbraw/zinc/46/59/09/850465909.db2.gz LURQHEHSHGUVPS-DENIHFKCSA-N -1 3 387.524 3.561 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CO)c3ccc(Cl)cc3)c2)n1 ZINC000506690983 850477156 /nfs/dbraw/zinc/47/71/56/850477156.db2.gz UTTRXXKEJFRHEC-SFHVURJKSA-N -1 3 397.862 3.780 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424643880 850595474 /nfs/dbraw/zinc/59/54/74/850595474.db2.gz GKBJXEIDTYXAPP-MWLCHTKSSA-N -1 3 382.379 3.544 20 0 GHADHM CCOc1cccc(-c2cccc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)c1 ZINC000505090345 850597693 /nfs/dbraw/zinc/59/76/93/850597693.db2.gz BXLRCTRIKLSGRA-UHFFFAOYSA-N -1 3 377.379 3.810 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000505162901 850655752 /nfs/dbraw/zinc/65/57/52/850655752.db2.gz VEHFNIYCEYEJJW-CYBMUJFWSA-N -1 3 397.406 3.651 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCC(C)C)cc1Cl ZINC000519147369 850693875 /nfs/dbraw/zinc/69/38/75/850693875.db2.gz JTORQKDLTROOGF-LLVKDONJSA-N -1 3 378.897 3.931 20 0 GHADHM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000909758421 850762083 /nfs/dbraw/zinc/76/20/83/850762083.db2.gz NQLLSPATYQSVQX-KZULUSFZSA-N -1 3 387.307 3.674 20 0 GHADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)c2)n1 ZINC000440298847 851020049 /nfs/dbraw/zinc/02/00/49/851020049.db2.gz WLGQMRLCOACONI-UHFFFAOYSA-N -1 3 395.484 3.966 20 0 GHADHM C[C@H](Oc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1F)C(=O)[O-] ZINC000910229476 851064389 /nfs/dbraw/zinc/06/43/89/851064389.db2.gz RXOUGABBVQURNS-AWEZNQCLSA-N -1 3 386.423 3.526 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)NC(C)C ZINC000519454223 851066753 /nfs/dbraw/zinc/06/67/53/851066753.db2.gz CPOWKTSWUYSFNC-UHFFFAOYSA-N -1 3 386.517 3.813 20 0 GHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000729438050 851150486 /nfs/dbraw/zinc/15/04/86/851150486.db2.gz AJPRBWYBTOUEKY-ZIAGYGMSSA-N -1 3 398.544 3.942 20 0 GHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CC1 ZINC000729440940 851198098 /nfs/dbraw/zinc/19/80/98/851198098.db2.gz UOPQKMVHBBZEQZ-ZIAGYGMSSA-N -1 3 384.517 3.552 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCOC(C4CC4)(C4CC4)C3)cc2)cc(=O)[n-]1 ZINC000664426022 851237185 /nfs/dbraw/zinc/23/71/85/851237185.db2.gz OLYZTVNKTUZOML-UHFFFAOYSA-N -1 3 394.475 3.581 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000515639605 851284363 /nfs/dbraw/zinc/28/43/63/851284363.db2.gz HWTXWFHHJWPEFA-ZDUSSCGKSA-N -1 3 397.928 3.994 20 0 GHADHM CC(C)Cc1coc([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000894442028 851302786 /nfs/dbraw/zinc/30/27/86/851302786.db2.gz VQSRLTGKDMDFMD-UHFFFAOYSA-N -1 3 397.332 3.864 20 0 GHADHM Cc1cc(C(=O)NCc2ncccc2[O-])nn1-c1ccc(Cl)c(Cl)c1 ZINC000473629957 851306315 /nfs/dbraw/zinc/30/63/15/851306315.db2.gz PQHYCFUYCBBWGP-UHFFFAOYSA-N -1 3 377.231 3.518 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000473631858 851311760 /nfs/dbraw/zinc/31/17/60/851311760.db2.gz UPSBWLHHXALHTI-UHFFFAOYSA-N -1 3 384.439 3.629 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)c1 ZINC000110510016 851316018 /nfs/dbraw/zinc/31/60/18/851316018.db2.gz CENZWBVKZZQTLE-UHFFFAOYSA-N -1 3 391.471 3.845 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000519535336 851340932 /nfs/dbraw/zinc/34/09/32/851340932.db2.gz AEHVBACEJLREPE-UHFFFAOYSA-N -1 3 390.383 3.540 20 0 GHADHM COc1cc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc(OC)c1[O-] ZINC000488362453 851429689 /nfs/dbraw/zinc/42/96/89/851429689.db2.gz QYYABQOBYYNONS-CQSZACIVSA-N -1 3 388.464 3.548 20 0 GHADHM COc1cc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000514235752 851441966 /nfs/dbraw/zinc/44/19/66/851441966.db2.gz IDVFTOIYSFJOCM-IBGZPJMESA-N -1 3 379.815 3.774 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000732392940 862256221 /nfs/dbraw/zinc/25/62/21/862256221.db2.gz LAMJGMMEBRGUCT-CQSZACIVSA-N -1 3 378.384 3.764 20 0 GHADHM CC(=O)N(c1nc(COC(=O)c2cncc([O-])c2)cs1)c1ccc(C)cc1 ZINC000732392506 862257866 /nfs/dbraw/zinc/25/78/66/862257866.db2.gz FCVOLOMLFHCZTR-UHFFFAOYSA-N -1 3 383.429 3.594 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000732394607 862258360 /nfs/dbraw/zinc/25/83/60/862258360.db2.gz QIAJRWOTNVEGKN-HXUWFJFHSA-N -1 3 396.830 3.503 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1csc(-c2c(F)cccc2F)n1 ZINC000366601492 851606941 /nfs/dbraw/zinc/60/69/41/851606941.db2.gz LPXVKEHNGJVVKW-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000911245832 851641389 /nfs/dbraw/zinc/64/13/89/851641389.db2.gz CCOKFUGYFLFMEJ-NRFANRHFSA-N -1 3 380.488 3.896 20 0 GHADHM CCCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911228755 851652267 /nfs/dbraw/zinc/65/22/67/851652267.db2.gz QKNGUZCCDKXKCQ-JPMGXVIASA-N -1 3 396.487 3.894 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1sc2ccc(F)cc2c1C ZINC000911280644 851660846 /nfs/dbraw/zinc/66/08/46/851660846.db2.gz ATFGZTZRVNSOGS-OAHLLOKOSA-N -1 3 392.496 3.750 20 0 GHADHM Cc1ccn(-c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)n1 ZINC000488683096 851692970 /nfs/dbraw/zinc/69/29/70/851692970.db2.gz YRKCLKVOHGUCBI-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM COc1ccc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CCC2)cc1 ZINC000488684992 851693758 /nfs/dbraw/zinc/69/37/58/851693758.db2.gz KZCRHNSJQHOFMU-UHFFFAOYSA-N -1 3 390.277 3.901 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(F)ccc1Cl ZINC000488766594 851755761 /nfs/dbraw/zinc/75/57/61/851755761.db2.gz UXDVGIKROWVUGO-SFHVURJKSA-N -1 3 397.855 3.680 20 0 GHADHM C[C@@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCN1Cc1ccccc1 ZINC000911501520 851762409 /nfs/dbraw/zinc/76/24/09/851762409.db2.gz UJMAOANIZDOJBW-WDGBRCNXSA-N -1 3 384.520 3.535 20 0 GHADHM COc1cc(CN(C)C)ccc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000911478956 851764629 /nfs/dbraw/zinc/76/46/29/851764629.db2.gz WOONIJDTUXXHOJ-ZDUSSCGKSA-N -1 3 388.489 3.574 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)ccc1OC(C)C ZINC000436475467 851963703 /nfs/dbraw/zinc/96/37/03/851963703.db2.gz GWSDQCDTAOBTIO-UHFFFAOYSA-N -1 3 390.440 3.507 20 0 GHADHM CC(C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000436521419 852011801 /nfs/dbraw/zinc/01/18/01/852011801.db2.gz DQAOUZCERRQZMG-NRFANRHFSA-N -1 3 398.478 3.692 20 0 GHADHM Cc1ccncc1N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436517603 852030054 /nfs/dbraw/zinc/03/00/54/852030054.db2.gz OQPAVAUFYKHFQA-UHFFFAOYSA-N -1 3 389.455 3.850 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CCc1ccccn1)Cc1ccncc1 ZINC000438104297 852031695 /nfs/dbraw/zinc/03/16/95/852031695.db2.gz MPZCJQLSTQFXSG-UHFFFAOYSA-N -1 3 393.462 3.916 20 0 GHADHM COCCN(Cc1ccccn1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436562282 852066194 /nfs/dbraw/zinc/06/61/94/852066194.db2.gz NBNXSONCTPJYFP-UHFFFAOYSA-N -1 3 378.428 3.868 20 0 GHADHM Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436582967 852090603 /nfs/dbraw/zinc/09/06/03/852090603.db2.gz MSVGBYQJQKIMSH-HXUWFJFHSA-N -1 3 375.472 3.718 20 0 GHADHM C[S@](=O)C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436586632 852094711 /nfs/dbraw/zinc/09/47/11/852094711.db2.gz BZCQLPQVZRNHFH-KMRXNPHXSA-N -1 3 393.508 3.833 20 0 GHADHM COc1cccc(C(=O)Nc2cnn(-c3ccccc3Br)c2)c1[O-] ZINC000436605246 852105451 /nfs/dbraw/zinc/10/54/51/852105451.db2.gz KYMMCQRUKNEWPQ-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000436616289 852116652 /nfs/dbraw/zinc/11/66/52/852116652.db2.gz DNBSTZZACVTPDE-GOSISDBHSA-N -1 3 381.863 3.920 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCCC[C@@H]3C)cs2)c1 ZINC000436629343 852125073 /nfs/dbraw/zinc/12/50/73/852125073.db2.gz VFSORMGKVRGVTA-XJKSGUPXSA-N -1 3 387.505 3.647 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])o1 ZINC000436632941 852127408 /nfs/dbraw/zinc/12/74/08/852127408.db2.gz HHDOOKAZHSVGDV-GOSISDBHSA-N -1 3 384.476 3.866 20 0 GHADHM CC(C)Sc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436632222 852128398 /nfs/dbraw/zinc/12/83/98/852128398.db2.gz CKGCHIIDHUVGQZ-UHFFFAOYSA-N -1 3 398.528 3.927 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@@H](Cc3cccc(Cl)c3)C(=O)[O-])sc2C1 ZINC000426671342 852174455 /nfs/dbraw/zinc/17/44/55/852174455.db2.gz LNJFJRVKWCHOII-GXTWGEPZSA-N -1 3 378.925 3.954 20 0 GHADHM CC[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436678965 852186131 /nfs/dbraw/zinc/18/61/31/852186131.db2.gz DSRWCJOUBQYAHY-QGZVFWFLSA-N -1 3 380.488 3.697 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2cnc(-c3ccsc3)s2)n[nH]1 ZINC000112277188 852194224 /nfs/dbraw/zinc/19/42/24/852194224.db2.gz LPTMXXMWXXWDMB-UHFFFAOYSA-N -1 3 383.458 3.918 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@H]3COC(C)(C)C3)nc(=O)c2c1C ZINC000600571039 862330865 /nfs/dbraw/zinc/33/08/65/862330865.db2.gz CIMFAMRARZLQDQ-GHMZBOCLSA-N -1 3 396.534 3.831 20 0 GHADHM CCCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1OCC ZINC000436696181 852211363 /nfs/dbraw/zinc/21/13/63/852211363.db2.gz HJFDCBKPYSKRDE-UHFFFAOYSA-N -1 3 398.503 3.538 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)C1)C(F)(F)F ZINC000894795760 852218117 /nfs/dbraw/zinc/21/81/17/852218117.db2.gz VQYXFFIQIBIVRR-JTQLQIEISA-N -1 3 391.846 3.840 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](CC2CC2)C1 ZINC000436722463 852248336 /nfs/dbraw/zinc/24/83/36/852248336.db2.gz NPXDJKFZJWOBFB-XMSQKQJNSA-N -1 3 392.499 3.902 20 0 GHADHM O=C(CCc1cc(Cl)ccc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473845708 852254763 /nfs/dbraw/zinc/25/47/63/852254763.db2.gz HIJMONHWIJHQDI-CQSZACIVSA-N -1 3 398.688 3.670 20 0 GHADHM O=C(NCc1nccc(C(F)F)n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436739834 852257449 /nfs/dbraw/zinc/25/74/49/852257449.db2.gz OYMJCSMXZUMOMV-UHFFFAOYSA-N -1 3 383.398 3.835 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1C1CC1 ZINC000436740423 852259561 /nfs/dbraw/zinc/25/95/61/852259561.db2.gz SFEHVGBBHQYAMM-AWEZNQCLSA-N -1 3 384.480 3.504 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)N=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000489387928 852273044 /nfs/dbraw/zinc/27/30/44/852273044.db2.gz KUTVJMVNEVRZGU-UHFFFAOYSA-N -1 3 395.532 3.531 20 0 GHADHM NC(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436752532 852296820 /nfs/dbraw/zinc/29/68/20/852296820.db2.gz ARTPWAKKXBVRPT-UHFFFAOYSA-N -1 3 377.400 3.714 20 0 GHADHM CCSCc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436767694 852323138 /nfs/dbraw/zinc/32/31/38/852323138.db2.gz HGXSHFJPYOIMKD-UHFFFAOYSA-N -1 3 399.516 3.635 20 0 GHADHM COc1ccc(Br)cc1[C@H](NCc1cc(C)ccc1C)C(=O)[O-] ZINC000426733862 852329313 /nfs/dbraw/zinc/32/93/13/852329313.db2.gz OQVCYPYGBZGRPU-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM COc1cccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1[O-] ZINC000436781553 852333328 /nfs/dbraw/zinc/33/33/28/852333328.db2.gz KDAYNNUYJSJAEJ-UHFFFAOYSA-N -1 3 375.837 3.749 20 0 GHADHM Cc1cccc([C@H](NCc2cc(Br)cc3c2OCC3)C(=O)[O-])c1C ZINC000426741774 852341768 /nfs/dbraw/zinc/34/17/68/852341768.db2.gz NCHXTINMBVJCJB-KRWDZBQOSA-N -1 3 390.277 3.916 20 0 GHADHM Cn1c(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426744777 852345583 /nfs/dbraw/zinc/34/55/83/852345583.db2.gz RXPHATQDOPEMGT-OAHLLOKOSA-N -1 3 396.249 3.805 20 0 GHADHM COc1ccc(Br)cc1[C@H](NCc1ccc(C)cc1C)C(=O)[O-] ZINC000426747935 852352706 /nfs/dbraw/zinc/35/27/06/852352706.db2.gz SYKRKJRLADRTOO-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c([O-])c1 ZINC000436834550 852385115 /nfs/dbraw/zinc/38/51/15/852385115.db2.gz ZWOREBJUVZGOJW-UHFFFAOYSA-N -1 3 389.455 3.918 20 0 GHADHM CCc1ccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c([O-])c1 ZINC000436835705 852386687 /nfs/dbraw/zinc/38/66/87/852386687.db2.gz BDKQQJIKMLOLRG-UHFFFAOYSA-N -1 3 391.427 3.619 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCCS1 ZINC000436826994 852396356 /nfs/dbraw/zinc/39/63/56/852396356.db2.gz CIQBNSIHKJLZOE-UXHICEINSA-N -1 3 398.528 3.655 20 0 GHADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000426795266 852404227 /nfs/dbraw/zinc/40/42/27/852404227.db2.gz XHWUOQIDPIRSEX-AWEZNQCLSA-N -1 3 398.278 3.587 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000436843687 852408450 /nfs/dbraw/zinc/40/84/50/852408450.db2.gz JVLXIYUTDBWHPD-AWEZNQCLSA-N -1 3 380.366 3.662 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC(F)F ZINC000426829773 852417778 /nfs/dbraw/zinc/41/77/78/852417778.db2.gz RNAYUJGCKSYROJ-QGZVFWFLSA-N -1 3 399.365 3.750 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1C[C@@H](CO)c2ccccc21 ZINC000436884865 852456337 /nfs/dbraw/zinc/45/63/37/852456337.db2.gz FIWSLDWFFXLOPB-KRWDZBQOSA-N -1 3 375.424 3.708 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OC)c(OCC(C)C)c2)C(=O)[O-])cc1F ZINC000426830665 852464875 /nfs/dbraw/zinc/46/48/75/852464875.db2.gz ZWWKDKWMFJJZEG-FQEVSTJZSA-N -1 3 391.439 3.793 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNC(=O)c2c([O-])cccc2O)on1 ZINC000436912155 852477689 /nfs/dbraw/zinc/47/76/89/852477689.db2.gz WKHQZIRVIVZGCJ-UHFFFAOYSA-N -1 3 390.395 3.845 20 0 GHADHM CC(C)c1ccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)c([O-])c1 ZINC000436917799 852497635 /nfs/dbraw/zinc/49/76/35/852497635.db2.gz FNFZWTWEEOBFDJ-UHFFFAOYSA-N -1 3 381.432 3.700 20 0 GHADHM CCCOc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436920510 852501460 /nfs/dbraw/zinc/50/14/60/852501460.db2.gz PRZKSPGGGSMJDI-UHFFFAOYSA-N -1 3 397.475 3.607 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)c([O-])c1 ZINC000436974132 852557596 /nfs/dbraw/zinc/55/75/96/852557596.db2.gz XAIARQHTDNRDJR-UHFFFAOYSA-N -1 3 379.460 3.746 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436977398 852563271 /nfs/dbraw/zinc/56/32/71/852563271.db2.gz DRWFXYVFSJAGLH-OCCSQVGLSA-N -1 3 389.521 3.893 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436977394 852563471 /nfs/dbraw/zinc/56/34/71/852563471.db2.gz DRWFXYVFSJAGLH-JSGCOSHPSA-N -1 3 389.521 3.893 20 0 GHADHM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000437005467 852600261 /nfs/dbraw/zinc/60/02/61/852600261.db2.gz PLCWEMZSLHLTFR-SFHVURJKSA-N -1 3 377.440 3.860 20 0 GHADHM CCOc1cn(-c2ccccc2)nc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000489935077 852655590 /nfs/dbraw/zinc/65/55/90/852655590.db2.gz OOECQUCVHSOGTK-UHFFFAOYSA-N -1 3 387.443 3.644 20 0 GHADHM COc1cc(C(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)cc(OC)c1[O-] ZINC000506331126 852751938 /nfs/dbraw/zinc/75/19/38/852751938.db2.gz XGMHAYRMAGZYHC-FQEVSTJZSA-N -1 3 377.387 3.568 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1ncccc1Oc1ccccc1 ZINC000294160890 852828504 /nfs/dbraw/zinc/82/85/04/852828504.db2.gz MFAFKJDBHDNXOE-UHFFFAOYSA-N -1 3 382.445 3.872 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc(-c2ccccc2)cc1F ZINC000490247109 852863175 /nfs/dbraw/zinc/86/31/75/852863175.db2.gz NRRMUZYKMIDJBQ-UHFFFAOYSA-N -1 3 393.344 3.629 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)CN3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cc2)c1 ZINC000263576855 852917509 /nfs/dbraw/zinc/91/75/09/852917509.db2.gz QWTVBGJNBBLWJJ-GAJHUEQPSA-N -1 3 394.471 3.913 20 0 GHADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000518148319 852931732 /nfs/dbraw/zinc/93/17/32/852931732.db2.gz QXMUEYDCAVFYIX-UHFFFAOYSA-N -1 3 398.859 3.953 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000437311185 853006580 /nfs/dbraw/zinc/00/65/80/853006580.db2.gz SDYHYBSEWHGTQV-BLLLJJGKSA-N -1 3 379.243 3.943 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000516789972 853010586 /nfs/dbraw/zinc/01/05/86/853010586.db2.gz UGZNPKPCJRACFL-JTQLQIEISA-N -1 3 395.349 3.945 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1 ZINC000481862926 862420437 /nfs/dbraw/zinc/42/04/37/862420437.db2.gz LKFHVZUGUXLNRD-HNNXBMFYSA-N -1 3 393.509 3.529 20 0 GHADHM COc1cccc(OC)c1OC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507617804 853113374 /nfs/dbraw/zinc/11/33/74/853113374.db2.gz QCUUEDLGFYROEC-UHFFFAOYSA-N -1 3 379.403 3.731 20 0 GHADHM O=C(COC(=O)CC(c1ccccc1)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000007155907 853143488 /nfs/dbraw/zinc/14/34/88/853143488.db2.gz PHZOXNUXVUATSK-UHFFFAOYSA-N -1 3 393.464 3.770 20 0 GHADHM COc1nnc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)[n-]1 ZINC000490682552 853181079 /nfs/dbraw/zinc/18/10/79/853181079.db2.gz BJZBNYYIEXLKTL-HXUWFJFHSA-N -1 3 393.472 3.562 20 0 GHADHM COc1nc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)n[n-]1 ZINC000490682552 853181086 /nfs/dbraw/zinc/18/10/86/853181086.db2.gz BJZBNYYIEXLKTL-HXUWFJFHSA-N -1 3 393.472 3.562 20 0 GHADHM COc1n[n-]c(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)n1 ZINC000490682552 853181091 /nfs/dbraw/zinc/18/10/91/853181091.db2.gz BJZBNYYIEXLKTL-HXUWFJFHSA-N -1 3 393.472 3.562 20 0 GHADHM COc1nnc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)[n-]1 ZINC000490683529 853182661 /nfs/dbraw/zinc/18/26/61/853182661.db2.gz JIQLQEMLIDZZHU-CQSZACIVSA-N -1 3 376.388 3.564 20 0 GHADHM COc1nc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n[n-]1 ZINC000490683529 853182664 /nfs/dbraw/zinc/18/26/64/853182664.db2.gz JIQLQEMLIDZZHU-CQSZACIVSA-N -1 3 376.388 3.564 20 0 GHADHM COc1n[n-]c(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC000490683529 853182670 /nfs/dbraw/zinc/18/26/70/853182670.db2.gz JIQLQEMLIDZZHU-CQSZACIVSA-N -1 3 376.388 3.564 20 0 GHADHM O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc(-c2ccco2)[n-]n1 ZINC000913298882 853209379 /nfs/dbraw/zinc/20/93/79/853209379.db2.gz QZOQJBOCBGVQDD-UHFFFAOYSA-N -1 3 376.368 3.622 20 0 GHADHM O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc(-c2ccco2)n[n-]1 ZINC000913298882 853209388 /nfs/dbraw/zinc/20/93/88/853209388.db2.gz QZOQJBOCBGVQDD-UHFFFAOYSA-N -1 3 376.368 3.622 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299626 853210592 /nfs/dbraw/zinc/21/05/92/853210592.db2.gz NGVYPSSEAJMPDC-UHFFFAOYSA-N -1 3 381.432 3.574 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299626 853210606 /nfs/dbraw/zinc/21/06/06/853210606.db2.gz NGVYPSSEAJMPDC-UHFFFAOYSA-N -1 3 381.432 3.574 20 0 GHADHM COc1nnc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)[n-]1 ZINC000490742014 853228000 /nfs/dbraw/zinc/22/80/00/853228000.db2.gz AVADFDUMJXJVGA-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM COc1nc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n[n-]1 ZINC000490742014 853228010 /nfs/dbraw/zinc/22/80/10/853228010.db2.gz AVADFDUMJXJVGA-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM COc1n[n-]c(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n1 ZINC000490742014 853228017 /nfs/dbraw/zinc/22/80/17/853228017.db2.gz AVADFDUMJXJVGA-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490786025 853260987 /nfs/dbraw/zinc/26/09/87/853260987.db2.gz WDXHMVHCDBAAGY-GOEBONIOSA-N -1 3 393.369 3.590 20 0 GHADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000519740684 853433167 /nfs/dbraw/zinc/43/31/67/853433167.db2.gz WDKYJGDKERNVBP-LRDDRELGSA-N -1 3 394.269 3.648 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(Oc2ccccc2)c1 ZINC000518631045 853591084 /nfs/dbraw/zinc/59/10/84/853591084.db2.gz OMPAVUSRRCTFPR-UHFFFAOYSA-N -1 3 375.368 3.800 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)(C(=O)OC)c1ccccc1 ZINC000570988548 853705977 /nfs/dbraw/zinc/70/59/77/853705977.db2.gz XIBMKMWVCMTICE-IBGZPJMESA-N -1 3 397.443 3.522 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000571102645 853743660 /nfs/dbraw/zinc/74/36/60/853743660.db2.gz RRIBITHYHWNFNS-UHFFFAOYSA-N -1 3 382.464 3.574 20 0 GHADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1c([O-])cccc1Cl ZINC000571177892 853756280 /nfs/dbraw/zinc/75/62/80/853756280.db2.gz SRKFMLMDEWAMIK-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCCOc1ccc(Br)cc1 ZINC000732804499 862503218 /nfs/dbraw/zinc/50/32/18/862503218.db2.gz MHQMVQHFZWPXIP-UHFFFAOYSA-N -1 3 378.266 3.899 20 0 GHADHM CC[C@@H]1CN(c2ncnc3sc(C(=O)[O-])c(C)c32)CCN1Cc1ccccc1 ZINC000571645475 853957208 /nfs/dbraw/zinc/95/72/08/853957208.db2.gz QHJQDOXTMLPNQQ-MRXNPFEDSA-N -1 3 396.516 3.799 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cc(-c3cccs3)on2)c1O ZINC000588095770 854124815 /nfs/dbraw/zinc/12/48/15/854124815.db2.gz HIBAAIVIAJDYNR-UHFFFAOYSA-N -1 3 378.793 3.801 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000473906202 854217215 /nfs/dbraw/zinc/21/72/15/854217215.db2.gz QKZQYMGNCRFJCL-UHFFFAOYSA-N -1 3 391.475 3.591 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000473906202 854217222 /nfs/dbraw/zinc/21/72/22/854217222.db2.gz QKZQYMGNCRFJCL-UHFFFAOYSA-N -1 3 391.475 3.591 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)sc1Cl ZINC000473908424 854237694 /nfs/dbraw/zinc/23/76/94/854237694.db2.gz FBNJZFNDPOIFHF-UHFFFAOYSA-N -1 3 399.969 3.964 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)sc1Cl ZINC000473919862 854274855 /nfs/dbraw/zinc/27/48/55/854274855.db2.gz PSDIFXUUGAZGOY-UHFFFAOYSA-N -1 3 394.905 3.780 20 0 GHADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)NCC(C)(C)C)ccc2Cl)on1 ZINC000894973122 854315376 /nfs/dbraw/zinc/31/53/76/854315376.db2.gz XRWYGZPVDUNQEA-UHFFFAOYSA-N -1 3 379.844 3.755 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1 ZINC000481969790 862563046 /nfs/dbraw/zinc/56/30/46/862563046.db2.gz DKLULFRWGGXDPU-UHFFFAOYSA-N -1 3 396.468 3.941 20 0 GHADHM C[C@H](N[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccn(C)n1 ZINC000623999212 862574734 /nfs/dbraw/zinc/57/47/34/862574734.db2.gz NRBGPZMSOUJNMN-HOTGVXAUSA-N -1 3 384.505 3.633 20 0 GHADHM CC(C)c1nc([C@@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)no1 ZINC000328833599 854567664 /nfs/dbraw/zinc/56/76/64/854567664.db2.gz LGFWCMXXNAGYCL-CYBMUJFWSA-N -1 3 393.447 3.968 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](C4CC4)C3)nc(=O)c2c1C ZINC000588978289 854624309 /nfs/dbraw/zinc/62/43/09/854624309.db2.gz UYVUFLNUCBIPHG-JSGCOSHPSA-N -1 3 389.521 3.653 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Br)c1 ZINC000589149888 854725620 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GHADHM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000106007107 855166559 /nfs/dbraw/zinc/16/65/59/855166559.db2.gz JIESNIAOSPQVTO-AWEZNQCLSA-N -1 3 388.489 3.714 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nnn1-c1ccc(C)cc1 ZINC000054882802 855224692 /nfs/dbraw/zinc/22/46/92/855224692.db2.gz LQDMCVNKFAPXQM-UHFFFAOYSA-N -1 3 390.472 3.579 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)ccc1F ZINC001128063383 855225762 /nfs/dbraw/zinc/22/57/62/855225762.db2.gz DKJUXHXCHMURKS-CQSZACIVSA-N -1 3 384.517 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3cccc(OC)c3)nc2)n1 ZINC000129910698 855230720 /nfs/dbraw/zinc/23/07/20/855230720.db2.gz JBKXJNBBTUPEAJ-UHFFFAOYSA-N -1 3 378.476 3.793 20 0 GHADHM C[C@H]1CCSCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000190136357 855284343 /nfs/dbraw/zinc/28/43/43/855284343.db2.gz DHNWWWSUIRQQCX-JXFKEZNVSA-N -1 3 398.528 3.607 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C ZINC000055619343 855360691 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380.535 3.684 20 0 GHADHM CC(C)c1c(C(=O)Nc2ncccc2[O-])cnn1-c1ccc(C(F)(F)F)cn1 ZINC000180993029 862708677 /nfs/dbraw/zinc/70/86/77/862708677.db2.gz VMPKVVZVXNHJMS-UHFFFAOYSA-N -1 3 391.353 3.762 20 0 GHADHM COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CCC(=O)[O-])cc(Br)c1[O-] ZINC000417631323 855760160 /nfs/dbraw/zinc/76/01/60/855760160.db2.gz SAWOSWOPMUECRR-TZMCWYRMSA-N -1 3 386.286 3.677 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC2(C1)CCCCC2 ZINC000482137038 862723512 /nfs/dbraw/zinc/72/35/12/862723512.db2.gz DFAAWWQQJNNTKL-UHFFFAOYSA-N -1 3 377.286 3.707 20 0 GHADHM O=S(=O)(Cc1coc(-c2ccccc2)n1)c1nnc(CCC2CCCC2)[n-]1 ZINC000108592983 855951483 /nfs/dbraw/zinc/95/14/83/855951483.db2.gz PVULEYWNJKQXQD-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM O=S(=O)(Cc1coc(-c2ccccc2)n1)c1nc(CCC2CCCC2)n[n-]1 ZINC000108592983 855951490 /nfs/dbraw/zinc/95/14/90/855951490.db2.gz PVULEYWNJKQXQD-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM CCN(CC)[C@H](C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1)c1ccccc1 ZINC000591448366 855993394 /nfs/dbraw/zinc/99/33/94/855993394.db2.gz CNEWOISZCZLIGU-NRFANRHFSA-N -1 3 378.476 3.529 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1ccc(Cl)cc1F ZINC000057705144 856001361 /nfs/dbraw/zinc/00/13/61/856001361.db2.gz GQNOWXDBPFNOJW-AWEZNQCLSA-N -1 3 388.917 3.656 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2noc3c2CCCC3)CC1 ZINC000108854497 856043940 /nfs/dbraw/zinc/04/39/40/856043940.db2.gz RNZKKCXGYDNXGF-UHFFFAOYSA-N -1 3 389.883 3.763 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC[C@@H](F)C1 ZINC000573326240 856080889 /nfs/dbraw/zinc/08/08/89/856080889.db2.gz BCUJFFNATNIFKW-HBFSDRIKSA-N -1 3 384.451 3.650 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(C)c1 ZINC000030531632 856109900 /nfs/dbraw/zinc/10/99/00/856109900.db2.gz RMWWOQRWWCZZCK-SFHVURJKSA-N -1 3 388.489 3.530 20 0 GHADHM O=C(CCC(=O)c1cccc(F)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485115086 856111339 /nfs/dbraw/zinc/11/13/39/856111339.db2.gz WNGVQTXWLYWSOI-UHFFFAOYSA-N -1 3 378.363 3.959 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cnc(-c3ccccn3)s2)c1F ZINC000485148042 856146540 /nfs/dbraw/zinc/14/65/40/856146540.db2.gz DROYLPUMOACSQL-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000303810937 856167366 /nfs/dbraw/zinc/16/73/66/856167366.db2.gz NMZMXSOGTBZRAR-KPZWWZAWSA-N -1 3 392.858 3.646 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1Cl)c1cncc(F)c1 ZINC000674336119 856179478 /nfs/dbraw/zinc/17/94/78/856179478.db2.gz AMUYWFVNQHFMCH-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000031721554 856185737 /nfs/dbraw/zinc/18/57/37/856185737.db2.gz NERKEXGWDPXMDC-UHFFFAOYSA-N -1 3 383.853 3.699 20 0 GHADHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc2c(cc1[O-])OCO2 ZINC000436723952 856196487 /nfs/dbraw/zinc/19/64/87/856196487.db2.gz RJTCQNUTUGXCLS-UHFFFAOYSA-N -1 3 375.793 3.545 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)Nc1ncc(-c2ccccc2)s1 ZINC000905162047 856198427 /nfs/dbraw/zinc/19/84/27/856198427.db2.gz IRQTXDDCUIIYPO-UHFFFAOYSA-N -1 3 381.461 3.895 20 0 GHADHM COCCC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000282507833 862768729 /nfs/dbraw/zinc/76/87/29/862768729.db2.gz YRSWZNUPMOKOBX-KRWDZBQOSA-N -1 3 396.484 3.786 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1C ZINC000032592402 856242416 /nfs/dbraw/zinc/24/24/16/856242416.db2.gz PGOMNPHIUPJIRO-UHFFFAOYSA-N -1 3 383.473 3.960 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccc(F)cc1Cl ZINC000032632646 856245619 /nfs/dbraw/zinc/24/56/19/856245619.db2.gz AYKGKJBCCCXORB-UHFFFAOYSA-N -1 3 378.208 3.705 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1cccc(Cl)c1Cl ZINC000520739282 856293505 /nfs/dbraw/zinc/29/35/05/856293505.db2.gz HWFXYENYVYIPCR-UHFFFAOYSA-N -1 3 382.215 3.629 20 0 GHADHM Cc1ccccc1[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482186172 862783385 /nfs/dbraw/zinc/78/33/85/862783385.db2.gz MLQSGXZSUARKIU-AWEZNQCLSA-N -1 3 399.292 3.849 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)cc1Cl ZINC000104741744 856380976 /nfs/dbraw/zinc/38/09/76/856380976.db2.gz PMSZDGCUPOWYRC-UHFFFAOYSA-N -1 3 396.871 3.662 20 0 GHADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485416575 856463418 /nfs/dbraw/zinc/46/34/18/856463418.db2.gz LAIIXGMBUDPLEO-UHFFFAOYSA-N -1 3 379.652 3.547 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccnc3N3CCCCC3)c[n-]c12 ZINC000672119081 856476452 /nfs/dbraw/zinc/47/64/52/856476452.db2.gz YIWWCMLCAFLZKN-UHFFFAOYSA-N -1 3 380.423 3.613 20 0 GHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000110250598 856481077 /nfs/dbraw/zinc/48/10/77/856481077.db2.gz VBSFRFXXNQLYGH-UHFFFAOYSA-N -1 3 386.864 3.599 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1c(Cl)cccc1Br ZINC000509206310 862802224 /nfs/dbraw/zinc/80/22/24/862802224.db2.gz WIZZMTUAYKFNCY-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000905736735 856527483 /nfs/dbraw/zinc/52/74/83/856527483.db2.gz COVWJTHYSQKFOX-UHFFFAOYSA-N -1 3 386.517 3.550 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000482209206 862811127 /nfs/dbraw/zinc/81/11/27/862811127.db2.gz KDSYWNRNPFNJBB-WCQYABFASA-N -1 3 396.413 3.650 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000482209205 862811522 /nfs/dbraw/zinc/81/15/22/862811522.db2.gz KDSYWNRNPFNJBB-DGCLKSJQSA-N -1 3 396.413 3.650 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)NCc2ccc(COCc3ccccc3)cc2)n1 ZINC000046148278 856580659 /nfs/dbraw/zinc/58/06/59/856580659.db2.gz ONBRRXPJMLJYGJ-UHFFFAOYSA-N -1 3 391.475 3.637 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000436843073 856595376 /nfs/dbraw/zinc/59/53/76/856595376.db2.gz GALQTXRTEXWMLM-IBGZPJMESA-N -1 3 375.371 3.823 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C2)C1 ZINC000542915790 856783061 /nfs/dbraw/zinc/78/30/61/856783061.db2.gz RYXSOUYEOJGTEI-HXPMCKFVSA-N -1 3 389.293 3.943 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000045939607 856786864 /nfs/dbraw/zinc/78/68/64/856786864.db2.gz LMVPKIUZNWFPNN-LJQANCHMSA-N -1 3 388.489 3.557 20 0 GHADHM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nn1-c1ccccc1Cl ZINC000181331907 862840001 /nfs/dbraw/zinc/84/00/01/862840001.db2.gz UNGPYZAKWSNAJR-UHFFFAOYSA-N -1 3 399.882 3.776 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c([O-])c1 ZINC000190879568 856898872 /nfs/dbraw/zinc/89/88/72/856898872.db2.gz FTAOSKVSZHOKNA-MRXNPFEDSA-N -1 3 399.466 3.768 20 0 GHADHM COc1cc(C(=O)[N-]c2ncnc3c2c(C)c(C)n3-c2ccc(C)cc2)on1 ZINC000485667976 856901673 /nfs/dbraw/zinc/90/16/73/856901673.db2.gz HIJGZONIJGCBKB-UHFFFAOYSA-N -1 3 377.404 3.595 20 0 GHADHM C[C@@H](COc1cccc(F)c1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482258888 862849413 /nfs/dbraw/zinc/84/94/13/862849413.db2.gz DAGGUJROINNGDR-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM CCCCc1nc(NC(=O)c2oc(CC(C)C)nc2C)c(C(=O)OCC)[n-]1 ZINC000485703674 856954243 /nfs/dbraw/zinc/95/42/43/856954243.db2.gz WNIXDUJUGWGDLI-UHFFFAOYSA-N -1 3 376.457 3.676 20 0 GHADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2oc(CC(C)C)nc2C)[n-]1 ZINC000485703674 856954252 /nfs/dbraw/zinc/95/42/52/856954252.db2.gz WNIXDUJUGWGDLI-UHFFFAOYSA-N -1 3 376.457 3.676 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccsc1 ZINC000508206853 857043537 /nfs/dbraw/zinc/04/35/37/857043537.db2.gz QFVWLADLWNQXQM-NSHDSACASA-N -1 3 387.351 3.931 20 0 GHADHM O=C([N-]CC1CCN(Cc2ccc(CSC(F)F)o2)CC1)C(F)(F)F ZINC000281140778 862865515 /nfs/dbraw/zinc/86/55/15/862865515.db2.gz DRZIGGUWLSFIPX-UHFFFAOYSA-N -1 3 386.386 3.626 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000057120026 857147466 /nfs/dbraw/zinc/14/74/66/857147466.db2.gz QKMRXWNADLUQTG-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000675334878 857151996 /nfs/dbraw/zinc/15/19/96/857151996.db2.gz GVRLXYGJTHEULT-VXGBXAGGSA-N -1 3 386.926 3.557 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]1C ZINC000112625836 857166229 /nfs/dbraw/zinc/16/62/29/857166229.db2.gz RHELQPIDGCKOPS-GYSYKLTISA-N -1 3 377.282 3.845 20 0 GHADHM O=C(NCCC1=CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626531 857166326 /nfs/dbraw/zinc/16/63/26/857166326.db2.gz HDLMBCZFLIYUNW-UHFFFAOYSA-N -1 3 375.266 3.911 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1OC ZINC000112640526 857171194 /nfs/dbraw/zinc/17/11/94/857171194.db2.gz YZPXTBSZMZECQH-UHFFFAOYSA-N -1 3 392.408 3.607 20 0 GHADHM CCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2ncccc2Br)cs1 ZINC000906654774 857208090 /nfs/dbraw/zinc/20/80/90/857208090.db2.gz NGSFBCTVXSVCKK-QMMMGPOBSA-N -1 3 390.253 3.832 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c(Cl)cccc1OCC1CC1 ZINC000906634626 857217328 /nfs/dbraw/zinc/21/73/28/857217328.db2.gz QLWLJBZNALEPTB-UHFFFAOYSA-N -1 3 387.867 3.822 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H](C)C1 ZINC000112955395 857236236 /nfs/dbraw/zinc/23/62/36/857236236.db2.gz UHHRVPLBRVQFTB-IOASZLSFSA-N -1 3 393.484 3.509 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cnn(CC(F)(F)F)c2)s1 ZINC000906734624 857252972 /nfs/dbraw/zinc/25/29/72/857252972.db2.gz FXKOOJDOJDSIHM-UHFFFAOYSA-N -1 3 391.375 3.501 20 0 GHADHM COc1cccc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482292880 862898855 /nfs/dbraw/zinc/89/88/55/862898855.db2.gz HPFYCLWVAIXGTD-NSHDSACASA-N -1 3 379.254 3.724 20 0 GHADHM CC(C)CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000129092343 857340468 /nfs/dbraw/zinc/34/04/68/857340468.db2.gz QHTQDFFEVHTMEO-UHFFFAOYSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2nc(C3CC3)cs2)s1 ZINC000907045335 857431203 /nfs/dbraw/zinc/43/12/03/857431203.db2.gz ZZPXJNMDBOQFRR-UHFFFAOYSA-N -1 3 380.495 3.754 20 0 GHADHM COc1cc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc(OC)c1[O-] ZINC000486145474 857467536 /nfs/dbraw/zinc/46/75/36/857467536.db2.gz CGYLNKDVGHBHPV-UHFFFAOYSA-N -1 3 382.243 3.915 20 0 GHADHM COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c(Br)c1[O-] ZINC000761016150 857472675 /nfs/dbraw/zinc/47/26/75/857472675.db2.gz UJNJCQVGAGSHRQ-XYOKQWHBSA-N -1 3 392.180 3.647 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000521023436 857514445 /nfs/dbraw/zinc/51/44/45/857514445.db2.gz GAVDTOTWSMUUTD-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM Cc1cc(C)cc(OCCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482308082 862920312 /nfs/dbraw/zinc/92/03/12/862920312.db2.gz GLPUTCFHIKZJKG-UHFFFAOYSA-N -1 3 393.281 3.650 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(F)ccc(C)c2Br)c(=O)[n-]1 ZINC000281243664 862920842 /nfs/dbraw/zinc/92/08/42/862920842.db2.gz QFEDZQSWFRODOE-UHFFFAOYSA-N -1 3 382.233 3.580 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CCC1 ZINC000593617828 857638404 /nfs/dbraw/zinc/63/84/04/857638404.db2.gz URLCLYDSLUIVAE-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2C)cc1 ZINC000442240477 857644339 /nfs/dbraw/zinc/64/43/39/857644339.db2.gz GVPXHRANNMRMOQ-CQSZACIVSA-N -1 3 387.505 3.839 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000676026330 857713058 /nfs/dbraw/zinc/71/30/58/857713058.db2.gz IVEVHUMNUILJNZ-HNNXBMFYSA-N -1 3 379.229 3.950 20 0 GHADHM COCC1([N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)CCCC1 ZINC001212479965 857754984 /nfs/dbraw/zinc/75/49/84/857754984.db2.gz AZFYVWOUYWWAOD-UHFFFAOYSA-N -1 3 396.734 3.648 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000676168962 857760556 /nfs/dbraw/zinc/76/05/56/857760556.db2.gz TUIVRBWOAHZANF-AWEZNQCLSA-N -1 3 376.859 3.921 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1ccc(C2CCCCC2)cc1 ZINC001212480421 857770021 /nfs/dbraw/zinc/77/00/21/857770021.db2.gz RKAZSKPNTRQUBT-UHFFFAOYSA-N -1 3 395.956 3.951 20 0 GHADHM CCN(CC)[C@H](CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccsc1 ZINC000907797532 857784305 /nfs/dbraw/zinc/78/43/05/857784305.db2.gz CZBJEMOAXXOFGD-UEXGIBASSA-N -1 3 386.517 3.506 20 0 GHADHM CCC(CC)CN(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065797848 857792355 /nfs/dbraw/zinc/79/23/55/857792355.db2.gz LIBDKIGOZHUHDQ-UHFFFAOYSA-N -1 3 385.530 3.747 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000065833271 857811916 /nfs/dbraw/zinc/81/19/16/857811916.db2.gz UUYSNSVOMIDWPK-UHFFFAOYSA-N -1 3 376.478 3.566 20 0 GHADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000521271686 857818893 /nfs/dbraw/zinc/81/88/93/857818893.db2.gz KIBMERZWGVSDFW-UHFFFAOYSA-N -1 3 391.489 3.725 20 0 GHADHM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000676338457 857831136 /nfs/dbraw/zinc/83/11/36/857831136.db2.gz NGGIBCIDMZOYKY-CQSZACIVSA-N -1 3 388.880 3.966 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(COCc2ccco2)c1 ZINC000065803188 857854654 /nfs/dbraw/zinc/85/46/54/857854654.db2.gz KGYLYAKXSVTAQR-UHFFFAOYSA-N -1 3 391.383 3.524 20 0 GHADHM Cn1nccc1[C@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907956813 857861402 /nfs/dbraw/zinc/86/14/02/857861402.db2.gz IQFLTLUWEOWXEW-CYBMUJFWSA-N -1 3 391.497 3.591 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c(C)c1 ZINC000676559862 857943355 /nfs/dbraw/zinc/94/33/55/857943355.db2.gz NFKZQZHIXJXKBF-UHFFFAOYSA-N -1 3 381.404 3.858 20 0 GHADHM O=c1[n-]c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)nc2c3ccccc3oc21 ZINC000066850425 857975639 /nfs/dbraw/zinc/97/56/39/857975639.db2.gz MMWAIDNXEFARTN-KRWDZBQOSA-N -1 3 397.381 3.521 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000486696071 857991519 /nfs/dbraw/zinc/99/15/19/857991519.db2.gz BQXALQBPYUIMFT-RDJZCZTQSA-N -1 3 391.464 3.617 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(Br)cc1Cl ZINC000486684028 857994959 /nfs/dbraw/zinc/99/49/59/857994959.db2.gz AWGCUGNTOHIAAK-SECBINFHSA-N -1 3 388.661 3.959 20 0 GHADHM CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@H]1CCOC(C)(C)C1 ZINC000908259890 858015636 /nfs/dbraw/zinc/01/56/36/858015636.db2.gz YWEYHNPWRVUQGQ-LBPRGKRZSA-N -1 3 383.514 3.910 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000521482782 858054146 /nfs/dbraw/zinc/05/41/46/858054146.db2.gz BNSFDRFAXOMJRZ-UHFFFAOYSA-N -1 3 397.378 3.811 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)ccc2O1 ZINC000521566995 858120562 /nfs/dbraw/zinc/12/05/62/858120562.db2.gz KFEUOWYVVJUMOP-CQSZACIVSA-N -1 3 382.441 3.998 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2o1 ZINC000442782647 858122151 /nfs/dbraw/zinc/12/21/51/858122151.db2.gz LPMCSBGJZDNWFT-LLVKDONJSA-N -1 3 393.848 3.912 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000521647575 858199792 /nfs/dbraw/zinc/19/97/92/858199792.db2.gz FFAGQTVMWBGSCZ-UHFFFAOYSA-N -1 3 395.843 3.536 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000521647575 858199796 /nfs/dbraw/zinc/19/97/96/858199796.db2.gz FFAGQTVMWBGSCZ-UHFFFAOYSA-N -1 3 395.843 3.536 20 0 GHADHM Cc1ncc(CNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000442879239 858199855 /nfs/dbraw/zinc/19/98/55/858199855.db2.gz ACZFDBQIPPJRES-UHFFFAOYSA-N -1 3 377.231 3.723 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000574817643 858329799 /nfs/dbraw/zinc/32/97/99/858329799.db2.gz OORACZDKWIBHCA-CQSZACIVSA-N -1 3 384.259 3.563 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCOc2ccc(Cl)cc2C)c1 ZINC000521843260 858361567 /nfs/dbraw/zinc/36/15/67/858361567.db2.gz AUEFAQFDYKCDKS-UHFFFAOYSA-N -1 3 376.840 3.511 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000443111043 858368824 /nfs/dbraw/zinc/36/88/24/858368824.db2.gz PXEYQWNFVJXHFP-AWEZNQCLSA-N -1 3 395.452 3.506 20 0 GHADHM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000443112735 858379143 /nfs/dbraw/zinc/37/91/43/858379143.db2.gz SPPLAHNXDNNFDP-QGZVFWFLSA-N -1 3 388.895 3.791 20 0 GHADHM COc1ccc(-c2nnc(SCc3ncccc3[O-])n2C[C@@H]2CCCO2)cc1 ZINC000574867800 858399831 /nfs/dbraw/zinc/39/98/31/858399831.db2.gz AGEZPTBOWYLVBD-INIZCTEOSA-N -1 3 398.488 3.526 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1ccoc1Cl ZINC000521962376 858490230 /nfs/dbraw/zinc/49/02/30/858490230.db2.gz QSWZOTNYLUKNBR-UHFFFAOYSA-N -1 3 384.592 3.899 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC000115475709 858540359 /nfs/dbraw/zinc/54/03/59/858540359.db2.gz QLHFFNHLUJIFMD-HNNXBMFYSA-N -1 3 377.444 3.708 20 0 GHADHM Cc1ccsc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522153336 858675850 /nfs/dbraw/zinc/67/58/50/858675850.db2.gz WRLHDNSQDPMWLL-UHFFFAOYSA-N -1 3 377.263 3.591 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000482664031 858729435 /nfs/dbraw/zinc/72/94/35/858729435.db2.gz CNGBTXUAMPYEOG-HNNXBMFYSA-N -1 3 389.381 3.607 20 0 GHADHM CCO[C@@H](C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000141790675 858822885 /nfs/dbraw/zinc/82/28/85/858822885.db2.gz IPNJOTFLZMLOGW-BLLLJJGKSA-N -1 3 386.473 3.983 20 0 GHADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000543198214 858832390 /nfs/dbraw/zinc/83/23/90/858832390.db2.gz YWGSNOHKRNNTBF-AWEZNQCLSA-N -1 3 392.459 3.727 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H](O)Cc2ccccc2)c1Cl ZINC000443513284 858860725 /nfs/dbraw/zinc/86/07/25/858860725.db2.gz VKKIMCFQMJLIJM-IUODEOHRSA-N -1 3 388.316 3.572 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](O)Cc2ccccc2)c1Cl ZINC000443513287 858860886 /nfs/dbraw/zinc/86/08/86/858860886.db2.gz VKKIMCFQMJLIJM-WFASDCNBSA-N -1 3 388.316 3.572 20 0 GHADHM O=C(Cc1csc2nccn12)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000482821163 858881342 /nfs/dbraw/zinc/88/13/42/858881342.db2.gz BVTVGFLIVNJTLM-UHFFFAOYSA-N -1 3 392.271 3.696 20 0 GHADHM CC1=C(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000482872272 858929621 /nfs/dbraw/zinc/92/96/21/858929621.db2.gz BPPIYNDDMYOROS-UHFFFAOYSA-N -1 3 388.464 3.809 20 0 GHADHM CC(C)Cc1ccc([C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C2CC2)cc1 ZINC000482928733 858977983 /nfs/dbraw/zinc/97/79/83/858977983.db2.gz OKVWPXXAPIARSX-MRXNPFEDSA-N -1 3 395.429 3.973 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cc(F)ccc3F)[n-]c(=O)c21 ZINC000428284870 859038174 /nfs/dbraw/zinc/03/81/74/859038174.db2.gz GJPJYZKBZZKXTH-SECBINFHSA-N -1 3 391.399 3.957 20 0 GHADHM CC1(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CCN(Cc2ccccc2)CC1 ZINC000483070880 859116764 /nfs/dbraw/zinc/11/67/64/859116764.db2.gz CXBVEZGKQXYKAO-UHFFFAOYSA-N -1 3 398.557 3.929 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000543315833 859245814 /nfs/dbraw/zinc/24/58/14/859245814.db2.gz JEYOSPSOSQRLGQ-OAHLLOKOSA-N -1 3 388.292 3.662 20 0 GHADHM COc1cc(C(=O)NCc2ccccc2OCc2ccccc2)cc(OC)c1[O-] ZINC000483274799 859262855 /nfs/dbraw/zinc/26/28/55/859262855.db2.gz YNQAXPLGYMRMIO-UHFFFAOYSA-N -1 3 393.439 3.918 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429400928 859271219 /nfs/dbraw/zinc/27/12/19/859271219.db2.gz ASWHRFQMTYZMMC-ZIAGYGMSSA-N -1 3 396.491 3.549 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483291567 859274993 /nfs/dbraw/zinc/27/49/93/859274993.db2.gz ALNUVVDDJGKDCR-IUODEOHRSA-N -1 3 381.402 3.582 20 0 GHADHM COC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000483305768 859283129 /nfs/dbraw/zinc/28/31/29/859283129.db2.gz MCLOZKNCRXJFLG-UHFFFAOYSA-N -1 3 393.237 3.571 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000029047536 859288324 /nfs/dbraw/zinc/28/83/24/859288324.db2.gz SPQDUJSCYLGWGV-UHFFFAOYSA-N -1 3 392.502 3.566 20 0 GHADHM COc1cncc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c1 ZINC000673444629 859310184 /nfs/dbraw/zinc/31/01/84/859310184.db2.gz SYILSEVJKZYJMO-UHFFFAOYSA-N -1 3 399.863 3.870 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000069070885 859328697 /nfs/dbraw/zinc/32/86/97/859328697.db2.gz NRDZAYNJOKKWQV-UHFFFAOYSA-N -1 3 395.440 3.767 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738429082 859402060 /nfs/dbraw/zinc/40/20/60/859402060.db2.gz SSPQRADMEONUSM-KKSFZXQISA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738429082 859402063 /nfs/dbraw/zinc/40/20/63/859402063.db2.gz SSPQRADMEONUSM-KKSFZXQISA-N -1 3 386.459 3.995 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc1OC ZINC000483479715 859402242 /nfs/dbraw/zinc/40/22/42/859402242.db2.gz WAWXLNBWBWMRDL-HIFRSBDPSA-N -1 3 397.541 3.793 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC=C(c2cccc3ccccc32)C1 ZINC000483543005 859439185 /nfs/dbraw/zinc/43/91/85/859439185.db2.gz MQVYGAVLZBBRGN-UHFFFAOYSA-N -1 3 387.365 3.586 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(CCc1ccccc1F)C1CCCC1 ZINC000483552158 859456703 /nfs/dbraw/zinc/45/67/03/859456703.db2.gz NQLFOQZQVIVQMX-UHFFFAOYSA-N -1 3 399.392 3.660 20 0 GHADHM [O-]c1ccc(CNC(=S)NCCSc2ccccc2)cc1Br ZINC000764524474 859484164 /nfs/dbraw/zinc/48/41/64/859484164.db2.gz MPVHZUWYONSTLB-UHFFFAOYSA-N -1 3 397.363 3.911 20 0 GHADHM CO[C@H](C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccc(O)cc1 ZINC000764618133 859536198 /nfs/dbraw/zinc/53/61/98/859536198.db2.gz ZMZQWMFPMJZJLO-BMIGLBTASA-N -1 3 388.445 3.711 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052486360 859543398 /nfs/dbraw/zinc/54/33/98/859543398.db2.gz DIBUDGGFIJVYPZ-NRFANRHFSA-N -1 3 388.467 3.809 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3ccccc3c2CSC)s1 ZINC000611058387 859591589 /nfs/dbraw/zinc/59/15/89/859591589.db2.gz QQLUYAAWHIJEPG-UHFFFAOYSA-N -1 3 391.474 3.505 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cccc(OC2CCCC2)c1 ZINC000673502333 859619881 /nfs/dbraw/zinc/61/98/81/859619881.db2.gz ALBGPUXVXHJZRZ-CABCVRRESA-N -1 3 397.475 3.502 20 0 GHADHM [O-]c1coc2cc(OCc3nnc(-c4ccccc4Br)o3)ccc12 ZINC000642608803 912212345 /nfs/dbraw/zinc/21/23/45/912212345.db2.gz ONDBPYXNZNNPAH-UHFFFAOYSA-N -1 3 387.189 3.653 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508848 859632699 /nfs/dbraw/zinc/63/26/99/859632699.db2.gz XIMJFSOOYRYBPF-UONOGXRCSA-N -1 3 395.484 3.909 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1Cl ZINC000117955117 859667588 /nfs/dbraw/zinc/66/75/88/859667588.db2.gz CTNNISHJZVASEJ-QMMMGPOBSA-N -1 3 378.215 3.760 20 0 GHADHM C[C@@](CO)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000480875480 859702381 /nfs/dbraw/zinc/70/23/81/859702381.db2.gz FWIFIPCMXXVQBK-KRWDZBQOSA-N -1 3 388.316 3.513 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c([O-])c1C ZINC000052748604 859733355 /nfs/dbraw/zinc/73/33/55/859733355.db2.gz OJDXSHPBRCXELG-OAHLLOKOSA-N -1 3 378.432 3.658 20 0 GHADHM COc1ccc(CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C2CC2)cc1 ZINC000484078177 859790291 /nfs/dbraw/zinc/79/02/91/859790291.db2.gz WVUWPIPAOUKPPT-UHFFFAOYSA-N -1 3 384.382 3.620 20 0 GHADHM CC(C)C[C@@H](C)N(C)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000053210724 859894298 /nfs/dbraw/zinc/89/42/98/859894298.db2.gz VTAQKBPDLNHQTK-CQSZACIVSA-N -1 3 399.520 3.506 20 0 GHADHM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436539218 860025401 /nfs/dbraw/zinc/02/54/01/860025401.db2.gz LDPYYHLJWVPACJ-UHFFFAOYSA-N -1 3 397.431 3.781 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436553495 860053723 /nfs/dbraw/zinc/05/37/23/860053723.db2.gz HCEXKIVXJUTEKY-UHFFFAOYSA-N -1 3 390.823 3.507 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CN[C@@H](CSC)C(=O)[O-])c1 ZINC000904040626 860059159 /nfs/dbraw/zinc/05/91/59/860059159.db2.gz SDMBFXQPNPUMEP-KRWDZBQOSA-N -1 3 395.908 3.833 20 0 GHADHM Cc1ccc(C)c(OCCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000428871197 860098147 /nfs/dbraw/zinc/09/81/47/860098147.db2.gz JRWPNXGNOSYJAV-UHFFFAOYSA-N -1 3 378.266 3.857 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000280395095 860106426 /nfs/dbraw/zinc/10/64/26/860106426.db2.gz NRHNQJMFPSTNAL-AWEZNQCLSA-N -1 3 383.448 3.934 20 0 GHADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC(=O)NC(C)(C)C ZINC000015812610 860143357 /nfs/dbraw/zinc/14/33/57/860143357.db2.gz GQEREGJTHZSHRB-SECBINFHSA-N -1 3 397.501 3.526 20 0 GHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000598202134 860148573 /nfs/dbraw/zinc/14/85/73/860148573.db2.gz APYJYRZFTBMQGK-MRXNPFEDSA-N -1 3 383.444 3.877 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(F)c1 ZINC000471638151 860157349 /nfs/dbraw/zinc/15/73/49/860157349.db2.gz QPWWXWJURMUHOC-HXUWFJFHSA-N -1 3 375.403 3.937 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)N2CCOCC2)cc1 ZINC000526869399 860161331 /nfs/dbraw/zinc/16/13/31/860161331.db2.gz UURUFXWQDVXRAF-JOCHJYFZSA-N -1 3 390.483 3.657 20 0 GHADHM O=C(NCc1ccccc1)C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000526910031 860162325 /nfs/dbraw/zinc/16/23/25/860162325.db2.gz MYSCBVMGHIDJBF-UHFFFAOYSA-N -1 3 388.467 3.714 20 0 GHADHM Cc1noc2ncnc(Oc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c12 ZINC000669647672 860164505 /nfs/dbraw/zinc/16/45/05/860164505.db2.gz CYLBBEUVTDEOQT-UHFFFAOYSA-N -1 3 396.428 3.828 20 0 GHADHM O=C(NC[C@@H](CO)Cc1c(F)cccc1Cl)c1cc([O-])c2ccccc2c1 ZINC000527177139 860170833 /nfs/dbraw/zinc/17/08/33/860170833.db2.gz VXOQKVBAMLHIOP-ZDUSSCGKSA-N -1 3 387.838 3.919 20 0 GHADHM O=C(NCc1ccc(C(=O)Nc2ccncc2)cc1)c1cc([O-])c2ccccc2c1 ZINC000527468038 860181616 /nfs/dbraw/zinc/18/16/16/860181616.db2.gz VKPZJAXAHBGYAI-UHFFFAOYSA-N -1 3 397.434 3.545 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cc(Br)ccc1Cl ZINC000727681010 860187489 /nfs/dbraw/zinc/18/74/89/860187489.db2.gz UFGAKQOVHSCOID-LURJTMIESA-N -1 3 393.517 3.575 20 0 GHADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nc(-c2ccncc2)no1 ZINC000727712737 860188748 /nfs/dbraw/zinc/18/87/48/860188748.db2.gz LDJZXOYOQKLCTB-OAHLLOKOSA-N -1 3 390.365 3.876 20 0 GHADHM Cc1c(CN2CCSCC2)cccc1N[C@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904199596 860227686 /nfs/dbraw/zinc/22/76/86/860227686.db2.gz LATNCFAGQXPLHC-ROUUACIJSA-N -1 3 375.538 3.535 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602741580 860231772 /nfs/dbraw/zinc/23/17/72/860231772.db2.gz UYKWATOPXWDLIO-UHFFFAOYSA-N -1 3 377.263 3.624 20 0 GHADHM Cc1ccc(N2CCC[C@H](NCc3ccc(N4CCC(C(=O)[O-])CC4)o3)C2)cc1 ZINC000904220654 860243275 /nfs/dbraw/zinc/24/32/75/860243275.db2.gz ULLLEXSKFPQXOG-IBGZPJMESA-N -1 3 397.519 3.648 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCc2sccc2C1 ZINC000602739371 860244749 /nfs/dbraw/zinc/24/47/49/860244749.db2.gz IECZGDZNAYOKOH-UHFFFAOYSA-N -1 3 389.274 3.551 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000428919280 860351262 /nfs/dbraw/zinc/35/12/62/860351262.db2.gz FHXIYKHDTKHTCL-WBMJQRKESA-N -1 3 381.398 3.725 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000904400670 860405555 /nfs/dbraw/zinc/40/55/55/860405555.db2.gz KCLTZLUZBLAESX-PXNSSMCTSA-N -1 3 381.900 3.975 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000904400669 860405610 /nfs/dbraw/zinc/40/56/10/860405610.db2.gz KCLTZLUZBLAESX-FXAWDEMLSA-N -1 3 381.900 3.975 20 0 GHADHM C[C@H]1CCN(C(=O)C(=O)c2ccc(Br)s2)c2c([O-])cccc21 ZINC000840422756 860418662 /nfs/dbraw/zinc/41/86/62/860418662.db2.gz PAYUAVJSEJIRRQ-VIFPVBQESA-N -1 3 380.263 3.939 20 0 GHADHM Cc1nc(C)c(CC(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c(=O)[n-]1 ZINC000097698123 860449361 /nfs/dbraw/zinc/44/93/61/860449361.db2.gz GFNNVHOQLGLKBE-LBPRGKRZSA-N -1 3 393.409 3.700 20 0 GHADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598689217 860518490 /nfs/dbraw/zinc/51/84/90/860518490.db2.gz DQVIFZIABYDREW-KPHLJTLVSA-N -1 3 385.407 3.982 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000765748556 860565922 /nfs/dbraw/zinc/56/59/22/860565922.db2.gz YWRBBAUQRYPGQT-JOCHJYFZSA-N -1 3 388.508 3.989 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000098074000 860714871 /nfs/dbraw/zinc/71/48/71/860714871.db2.gz BAQFMOUZFPZNMT-LLVKDONJSA-N -1 3 379.334 3.636 20 0 GHADHM CC(C)NC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176434854 860875097 /nfs/dbraw/zinc/87/50/97/860875097.db2.gz HQJJZZYSHYZVRG-UHFFFAOYSA-N -1 3 392.253 3.937 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)ccc1OC(C)C ZINC000730204313 860951922 /nfs/dbraw/zinc/95/19/22/860951922.db2.gz OTEZPDIWLQOUAH-UHFFFAOYSA-N -1 3 389.452 3.908 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000329059573 860983229 /nfs/dbraw/zinc/98/32/29/860983229.db2.gz JDSGYROTSCBDFV-HONMWMINSA-N -1 3 395.830 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000329059578 860983708 /nfs/dbraw/zinc/98/37/08/860983708.db2.gz JDSGYROTSCBDFV-ZLKJLUDKSA-N -1 3 395.830 3.595 20 0 GHADHM Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])c1 ZINC000730366961 861076722 /nfs/dbraw/zinc/07/67/22/861076722.db2.gz ZMEVFMFPSVIFKO-GFCCVEGCSA-N -1 3 392.249 3.956 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000623517128 861149448 /nfs/dbraw/zinc/14/94/48/861149448.db2.gz SBLDMLBZZYCRNW-HNNXBMFYSA-N -1 3 381.501 3.829 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1c(F)cccc1Cl ZINC000482467287 863178445 /nfs/dbraw/zinc/17/84/45/863178445.db2.gz FRGMMCSXOIUBEV-UHFFFAOYSA-N -1 3 387.636 3.947 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182677755 863327359 /nfs/dbraw/zinc/32/73/59/863327359.db2.gz ATSJFOJRWRFWIR-QGZVFWFLSA-N -1 3 398.356 3.833 20 0 GHADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182681674 863327981 /nfs/dbraw/zinc/32/79/81/863327981.db2.gz GEEGSYMFHZOIQS-UHFFFAOYSA-N -1 3 380.452 3.620 20 0 GHADHM CC(C)c1nc(C(=O)[N-]c2ncn(C3CCCCC3)n2)nn1-c1cccc(F)c1 ZINC000182718717 863337664 /nfs/dbraw/zinc/33/76/64/863337664.db2.gz HDKPLPNLVCCXCV-UHFFFAOYSA-N -1 3 397.458 3.879 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccc(F)cc1 ZINC000482612748 863397566 /nfs/dbraw/zinc/39/75/66/863397566.db2.gz ZBEGJYIMYZBNFW-LLVKDONJSA-N -1 3 397.244 3.561 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)s2)s1 ZINC000444275219 863784157 /nfs/dbraw/zinc/78/41/57/863784157.db2.gz BKBGREDGOGLAJT-ZETCQYMHSA-N -1 3 381.342 3.569 20 0 GHADHM Cc1cc(=NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[nH]n1[C@@H](C)C1CC1 ZINC000444299569 863834974 /nfs/dbraw/zinc/83/49/74/863834974.db2.gz CEOOVMBEIYJPCJ-HNNXBMFYSA-N -1 3 389.455 3.773 20 0 GHADHM COC1(c2noc(CC3CCN(C(=O)c4ccc(C)cc4[O-])CC3)n2)CCCC1 ZINC000621205406 863864209 /nfs/dbraw/zinc/86/42/09/863864209.db2.gz KJVIZEPCDVPELJ-UHFFFAOYSA-N -1 3 399.491 3.594 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000532296896 881708374 /nfs/dbraw/zinc/70/83/74/881708374.db2.gz SWRQEMMERPWFRV-UHFFFAOYSA-N -1 3 391.456 3.780 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1 ZINC000103059653 863879767 /nfs/dbraw/zinc/87/97/67/863879767.db2.gz UEOFLCJUNAEBGI-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM C[C@H]1CC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@H](C)C1 ZINC000606884228 863889092 /nfs/dbraw/zinc/88/90/92/863889092.db2.gz XXVMHIXNMFJNLA-CHWSQXEVSA-N -1 3 393.484 3.509 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1ccc(F)cc1C(F)(F)F ZINC000103157041 863896598 /nfs/dbraw/zinc/89/65/98/863896598.db2.gz XBWBAPIXDUVJOP-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM COC(=O)c1ccc(Cl)c(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000480046821 863921497 /nfs/dbraw/zinc/92/14/97/863921497.db2.gz WZYUVVJECOXUOC-LGMDPLHJSA-N -1 3 380.831 3.993 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)Cc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000792825517 881713531 /nfs/dbraw/zinc/71/35/31/881713531.db2.gz XBTPEMHHEWQMHU-UHFFFAOYSA-N -1 3 387.213 3.926 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000158877440 863976875 /nfs/dbraw/zinc/97/68/75/863976875.db2.gz ZPYLJVVJUNYXBS-UHFFFAOYSA-N -1 3 380.441 3.542 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000621305367 864080366 /nfs/dbraw/zinc/08/03/66/864080366.db2.gz WURBYXBTEFLLMG-SSDOTTSWSA-N -1 3 379.734 3.562 20 0 GHADHM CN(c1ccc(CNC(=O)NN=c2ccc(Cl)n[n-]2)cc1)C1CCCCC1 ZINC000063068142 864107996 /nfs/dbraw/zinc/10/79/96/864107996.db2.gz PPGIKCWASUFYDW-UHFFFAOYSA-N -1 3 388.903 3.725 20 0 GHADHM CCc1onc(C)c1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444322327 864225148 /nfs/dbraw/zinc/22/51/48/864225148.db2.gz VFNHQEKUHVRHTB-UHFFFAOYSA-N -1 3 381.310 3.538 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1 ZINC000116476820 864332096 /nfs/dbraw/zinc/33/20/96/864332096.db2.gz OCSGNXBACKNSFZ-UHFFFAOYSA-N -1 3 395.390 3.607 20 0 GHADHM COc1ccc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c(OC(F)F)c1 ZINC000734719886 864404659 /nfs/dbraw/zinc/40/46/59/864404659.db2.gz JXVQIPZJJMFMES-UHFFFAOYSA-N -1 3 378.331 3.945 20 0 GHADHM COc1ccc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c(OC(F)F)c1 ZINC000734719886 864404666 /nfs/dbraw/zinc/40/46/66/864404666.db2.gz JXVQIPZJJMFMES-UHFFFAOYSA-N -1 3 378.331 3.945 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000554534513 864493332 /nfs/dbraw/zinc/49/33/32/864493332.db2.gz WPHIQHHGPLPKHA-KRWDZBQOSA-N -1 3 388.431 3.565 20 0 GHADHM O=C(NCCCOc1ccc(Cl)cc1Cl)NN=c1ccc(Cl)n[n-]1 ZINC000063330523 864547306 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384.435 3.763 20 0 GHADHM Cc1noc2ncc([N-]S(=O)(=O)/C=C\c3cccc(Br)c3)cc12 ZINC000742230848 867146640 /nfs/dbraw/zinc/14/66/40/867146640.db2.gz ASGJBCRWZLFCIP-WAYWQWQTSA-N -1 3 394.250 3.706 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](CC)CC3CCCCC3)CC2)n[n-]1 ZINC000444751646 867177299 /nfs/dbraw/zinc/17/72/99/867177299.db2.gz CEGJXCCWOHSGJJ-INIZCTEOSA-N -1 3 390.528 3.684 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](CC)CC3CCCCC3)CC2)[n-]1 ZINC000444751646 867177309 /nfs/dbraw/zinc/17/73/09/867177309.db2.gz CEGJXCCWOHSGJJ-INIZCTEOSA-N -1 3 390.528 3.684 20 0 GHADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000742330906 867211726 /nfs/dbraw/zinc/21/17/26/867211726.db2.gz WPSLWLXXVHAABN-UWVGGRQHSA-N -1 3 384.748 3.665 20 0 GHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000121402727 882061551 /nfs/dbraw/zinc/06/15/51/882061551.db2.gz CBUFOUJPMQACSN-OAHLLOKOSA-N -1 3 391.386 3.637 20 0 GHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479169174 867272656 /nfs/dbraw/zinc/27/26/56/867272656.db2.gz ZYALBVVRZCTYFM-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1nc(C(C)(C)C)no1 ZINC000190033445 882073064 /nfs/dbraw/zinc/07/30/64/882073064.db2.gz VZLKRSSBGGEFSX-JTQLQIEISA-N -1 3 391.415 3.511 20 0 GHADHM Cc1oc2ccccc2c1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296303 882088904 /nfs/dbraw/zinc/08/89/04/882088904.db2.gz LSVFTQQWCSLKKS-UHFFFAOYSA-N -1 3 386.761 3.897 20 0 GHADHM CCCN1CCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c2ccc(F)cc21 ZINC000553521255 867610078 /nfs/dbraw/zinc/61/00/78/867610078.db2.gz WOTRCZXABSXNQA-UHFFFAOYSA-N -1 3 397.425 3.992 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000742969048 867684467 /nfs/dbraw/zinc/68/44/67/867684467.db2.gz MNRWICJQUJEFKS-LJQANCHMSA-N -1 3 384.517 3.555 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000190177460 882111256 /nfs/dbraw/zinc/11/12/56/882111256.db2.gz JXVANFVYCRIQAQ-UHFFFAOYSA-N -1 3 384.358 3.604 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000190177460 882111261 /nfs/dbraw/zinc/11/12/61/882111261.db2.gz JXVANFVYCRIQAQ-UHFFFAOYSA-N -1 3 384.358 3.604 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1 ZINC000479460225 867801070 /nfs/dbraw/zinc/80/10/70/867801070.db2.gz UNRJDGTXWINKKE-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(COc4ccc(C)nc4)c3)n[n-]2)o1 ZINC000479479176 867843196 /nfs/dbraw/zinc/84/31/96/867843196.db2.gz OXMKAGCKXUSVDL-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CCCOc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000479482136 867849413 /nfs/dbraw/zinc/84/94/13/867849413.db2.gz XFZDYYQODATZBE-UHFFFAOYSA-N -1 3 382.420 3.764 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2cn(C)c3ccccc23)[nH][n-]1 ZINC000523787288 867965957 /nfs/dbraw/zinc/96/59/57/867965957.db2.gz PFBITSWOHQADMI-UHFFFAOYSA-N -1 3 394.862 3.834 20 0 GHADHM O=C(C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccc([O-])cc1 ZINC000457348928 868150138 /nfs/dbraw/zinc/15/01/38/868150138.db2.gz BUCPPARATPOBQN-QGZVFWFLSA-N -1 3 383.835 3.858 20 0 GHADHM CCC(C)(C)OCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000457352196 868154673 /nfs/dbraw/zinc/15/46/73/868154673.db2.gz DWIROVZHLSMTNP-FQEVSTJZSA-N -1 3 398.503 3.575 20 0 GHADHM C[C@@]1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCN1Cc1ccccc1 ZINC000154829123 868272850 /nfs/dbraw/zinc/27/28/50/868272850.db2.gz FXXAZWIHMDLOLR-FQEVSTJZSA-N -1 3 378.394 3.594 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@H]1Cc1ccccc1)c1cccnc1C(F)(F)F ZINC000553829716 868322604 /nfs/dbraw/zinc/32/26/04/868322604.db2.gz DWEGCROYBCCDIW-GJZGRUSLSA-N -1 3 384.423 3.790 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000156423021 868362663 /nfs/dbraw/zinc/36/26/63/868362663.db2.gz SSKOCPGNTZHPRJ-LLVKDONJSA-N -1 3 395.527 3.659 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)ccc1F ZINC000143964428 868427962 /nfs/dbraw/zinc/42/79/62/868427962.db2.gz LXIMSTDHIBVOAK-OAHLLOKOSA-N -1 3 384.517 3.553 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CSc3ccccc32)[nH][n-]1 ZINC000524036014 868454980 /nfs/dbraw/zinc/45/49/80/868454980.db2.gz MIZCNRFONARVJK-CQSZACIVSA-N -1 3 385.876 3.989 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3Br)no2)c([O-])c1 ZINC000445481959 868509710 /nfs/dbraw/zinc/50/97/10/868509710.db2.gz NJXSVHGKPGGYNW-UHFFFAOYSA-N -1 3 388.221 3.694 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2n[nH]cc2c1 ZINC000553969747 868538817 /nfs/dbraw/zinc/53/88/17/868538817.db2.gz MTYRMQHKTARYBF-JTQLQIEISA-N -1 3 389.253 3.591 20 0 GHADHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431482 882203413 /nfs/dbraw/zinc/20/34/13/882203413.db2.gz YEMCRWIEOXOTJI-UHFFFAOYSA-N -1 3 399.804 3.604 20 0 GHADHM COCc1nc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc2o1 ZINC000157192858 868586276 /nfs/dbraw/zinc/58/62/76/868586276.db2.gz MDXSTBFZVVJGOG-UHFFFAOYSA-N -1 3 381.363 3.516 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)[n-]1 ZINC000763640010 868597029 /nfs/dbraw/zinc/59/70/29/868597029.db2.gz APNVGYOEALVFDM-AWEZNQCLSA-N -1 3 380.448 3.866 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c[n-]1 ZINC000763640010 868597038 /nfs/dbraw/zinc/59/70/38/868597038.db2.gz APNVGYOEALVFDM-AWEZNQCLSA-N -1 3 380.448 3.866 20 0 GHADHM COc1ccc(Cl)cc1CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744217104 868672442 /nfs/dbraw/zinc/67/24/42/868672442.db2.gz FXIKIBKZFOLBLK-UHFFFAOYSA-N -1 3 384.819 3.968 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1S(C)(=O)=O ZINC000535402327 868694739 /nfs/dbraw/zinc/69/47/39/868694739.db2.gz YEKBAPHXTPKKOH-UHFFFAOYSA-N -1 3 395.546 3.741 20 0 GHADHM CCN(CC)[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648432809 882220907 /nfs/dbraw/zinc/22/09/07/882220907.db2.gz IRUIZIRSOOOSSC-CQSZACIVSA-N -1 3 388.821 3.542 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000621116992 868748768 /nfs/dbraw/zinc/74/87/68/868748768.db2.gz DPIAACBYHMHINU-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000621116992 868748771 /nfs/dbraw/zinc/74/87/71/868748771.db2.gz DPIAACBYHMHINU-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NN=c1ccc(Cl)n[n-]1 ZINC000064267897 882227785 /nfs/dbraw/zinc/22/77/85/882227785.db2.gz CPEPZVRZPMXBON-UHFFFAOYSA-N -1 3 395.850 3.558 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCCF)c(Cl)cc1Cl ZINC000744459431 868859466 /nfs/dbraw/zinc/85/94/66/868859466.db2.gz AQLKTSNSPUCFJJ-VIFPVBQESA-N -1 3 386.272 3.587 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000621171570 868862268 /nfs/dbraw/zinc/86/22/68/868862268.db2.gz TWULCBGDSSAMMD-LJQANCHMSA-N -1 3 381.382 3.569 20 0 GHADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)NCc1ccc(F)c(F)c1 ZINC000445707726 868882122 /nfs/dbraw/zinc/88/21/22/868882122.db2.gz RIKACNWKMHPKOI-UHFFFAOYSA-N -1 3 395.365 3.733 20 0 GHADHM Cc1ncc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000744503093 868888036 /nfs/dbraw/zinc/88/80/36/868888036.db2.gz ZPZDBEUQMPHBSB-IBGZPJMESA-N -1 3 396.468 3.762 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1N1CCCCC1=O ZINC000005330232 882245287 /nfs/dbraw/zinc/24/52/87/882245287.db2.gz TZZIVYVFCHXAPZ-UHFFFAOYSA-N -1 3 388.489 3.630 20 0 GHADHM CC(C)c1ccc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)c([O-])c1 ZINC000445802397 869005486 /nfs/dbraw/zinc/00/54/86/869005486.db2.gz MTJZGUYFHDLOKH-UHFFFAOYSA-N -1 3 380.326 3.964 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[C@@H]1c1ccncc1 ZINC000640298002 882253409 /nfs/dbraw/zinc/25/34/09/882253409.db2.gz JVZFFFKULGMVLM-GFCCVEGCSA-N -1 3 387.793 3.531 20 0 GHADHM Cc1ccc(SCCOC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000744722604 869028151 /nfs/dbraw/zinc/02/81/51/869028151.db2.gz BXRYXNKVELOBTP-IBGZPJMESA-N -1 3 399.512 3.949 20 0 GHADHM CCC(CC)(C(=O)NCCc1c(C)[n-][nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000524409117 869030483 /nfs/dbraw/zinc/03/04/83/869030483.db2.gz CEBSSPQJTUBZMG-CYBMUJFWSA-N -1 3 384.307 3.679 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](Sc1ccc(C)cc1C)c1ccccc1 ZINC000524411884 869034683 /nfs/dbraw/zinc/03/46/83/869034683.db2.gz JAPIYKAZBWBWBX-QUCCMNQESA-N -1 3 395.528 3.765 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nc(Cc4ccccc4)no3)n[n-]2)o1 ZINC000744786860 869077896 /nfs/dbraw/zinc/07/78/96/869077896.db2.gz IOMMMNJPKZUPNJ-CYBMUJFWSA-N -1 3 378.388 3.870 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nc(Cc4ccccc4)no3)[n-]n2)o1 ZINC000744786860 869077904 /nfs/dbraw/zinc/07/79/04/869077904.db2.gz IOMMMNJPKZUPNJ-CYBMUJFWSA-N -1 3 378.388 3.870 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCc2ccccc2F)cc1 ZINC000445950456 869214177 /nfs/dbraw/zinc/21/41/77/869214177.db2.gz XNEDEYKQENFIGV-OAHLLOKOSA-N -1 3 382.313 3.782 20 0 GHADHM CCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000121869620 882274881 /nfs/dbraw/zinc/27/48/81/882274881.db2.gz FBZHMFPVOBIAEA-UHFFFAOYSA-N -1 3 397.244 3.692 20 0 GHADHM O=C(CS(=O)(=O)c1cccc([O-])c1)N(C1CCCCC1)C1CCCCC1 ZINC000544595337 882281306 /nfs/dbraw/zinc/28/13/06/882281306.db2.gz VEPXPPFOAZNKHB-UHFFFAOYSA-N -1 3 379.522 3.660 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000462363109 869314917 /nfs/dbraw/zinc/31/49/17/869314917.db2.gz SBLWKPJVSWHZMZ-GDBMZVCRSA-N -1 3 395.322 3.534 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@](C)(O)Cc3ccccc3)nc(=O)c2c1C ZINC000745147549 869335146 /nfs/dbraw/zinc/33/51/46/869335146.db2.gz QFWDUWQSSGIETI-YUNKPMOVSA-N -1 3 386.473 3.612 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)CC2CCCCC2)cc1OC ZINC000446118898 869431840 /nfs/dbraw/zinc/43/18/40/869431840.db2.gz ORLDUBBQNQQJST-AWEZNQCLSA-N -1 3 397.541 3.937 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000524749868 869494768 /nfs/dbraw/zinc/49/47/68/869494768.db2.gz XWBGXZJJRFKHKL-ZWKOTPCHSA-N -1 3 382.464 3.627 20 0 GHADHM CCCCC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462484581 869526928 /nfs/dbraw/zinc/52/69/28/869526928.db2.gz SKYYFESSEBYTGB-UHFFFAOYSA-N -1 3 399.148 3.989 20 0 GHADHM CCn1ncn([N-]C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)c1=O ZINC000857511243 882314512 /nfs/dbraw/zinc/31/45/12/882314512.db2.gz GUPUNLMINYGELC-UHFFFAOYSA-N -1 3 393.230 3.548 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)s1 ZINC000462541776 869634367 /nfs/dbraw/zinc/63/43/67/869634367.db2.gz HPIVGRPKDLZWAU-GWCFXTLKSA-N -1 3 396.372 3.693 20 0 GHADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc3ccc(SC(F)F)cc3s2)n1 ZINC000857564720 882342870 /nfs/dbraw/zinc/34/28/70/882342870.db2.gz BUEKPPNHMQIZKF-UHFFFAOYSA-N -1 3 384.437 3.605 20 0 GHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCCC2 ZINC000462663790 869867030 /nfs/dbraw/zinc/86/70/30/869867030.db2.gz NXNLDPFUJPKQBW-CABCVRRESA-N -1 3 395.418 3.861 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1N1CCOC1=O ZINC000746055292 869985137 /nfs/dbraw/zinc/98/51/37/869985137.db2.gz BWGMIORWAULMKI-UHFFFAOYSA-N -1 3 388.489 3.951 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc(Cl)cc1 ZINC000746103362 870047253 /nfs/dbraw/zinc/04/72/53/870047253.db2.gz GVWIHOWISXPXCW-UHFFFAOYSA-N -1 3 391.880 3.760 20 0 GHADHM O=C([N-]c1cc(F)c(OCC2CC2)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC001192276865 870258466 /nfs/dbraw/zinc/25/84/66/870258466.db2.gz SDTPQMWANNVTDE-UHFFFAOYSA-N -1 3 385.370 3.980 20 0 GHADHM CCOC(=O)CN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322489 870286572 /nfs/dbraw/zinc/28/65/72/870286572.db2.gz ATPBTNBCIIWNRK-UHFFFAOYSA-N -1 3 375.490 3.957 20 0 GHADHM CC1(C)Cc2nc([N-]C(=O)c3ncc(Br)s3)sc2C(=O)C1 ZINC000189079626 870288420 /nfs/dbraw/zinc/28/84/20/870288420.db2.gz YURXSCDPTGUSQG-UHFFFAOYSA-N -1 3 386.296 3.770 20 0 GHADHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001192303858 870305320 /nfs/dbraw/zinc/30/53/20/870305320.db2.gz ZIPKPXVCFUKZGT-JOYOIKCWSA-N -1 3 390.814 3.761 20 0 GHADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1Cl ZINC000446867298 870613762 /nfs/dbraw/zinc/61/37/62/870613762.db2.gz SQHVKBWABNAKNG-ZCFIWIBFSA-N -1 3 382.173 3.691 20 0 GHADHM CCSc1cc(Cl)ccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461624958 870649136 /nfs/dbraw/zinc/64/91/36/870649136.db2.gz SBJQCYBURIKIQX-UHFFFAOYSA-N -1 3 391.880 3.600 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC001212333264 870702163 /nfs/dbraw/zinc/70/21/63/870702163.db2.gz ANQMQQXAIMBLAF-HIFRSBDPSA-N -1 3 397.846 3.985 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OCc1ccccc1)c1cnccc1Cl ZINC001192853621 870732900 /nfs/dbraw/zinc/73/29/00/870732900.db2.gz MLEVXIDTVJPGAK-IAGOWNOFSA-N -1 3 380.897 3.541 20 0 GHADHM O=C(NCC1(c2ccccc2Br)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000525465077 870736975 /nfs/dbraw/zinc/73/69/75/870736975.db2.gz YDPNZCLQENDNSZ-UHFFFAOYSA-N -1 3 397.272 3.752 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cc1 ZINC001193051671 870830743 /nfs/dbraw/zinc/83/07/43/870830743.db2.gz BTGXUCFEPUFHDL-UHFFFAOYSA-N -1 3 381.425 3.701 20 0 GHADHM Cc1cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(C)n1[C@@H](C)c1ccccc1 ZINC001168939708 871025113 /nfs/dbraw/zinc/02/51/13/871025113.db2.gz ROWWWHVLASOXIL-AWEZNQCLSA-N -1 3 376.460 3.674 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2cccc(OCCO)c2[O-])cc1 ZINC001193333631 871027836 /nfs/dbraw/zinc/02/78/36/871027836.db2.gz HAOJDKIDNAMGEH-UHFFFAOYSA-N -1 3 395.411 3.817 20 0 GHADHM O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)c1cccc(OCCO)c1[O-] ZINC001193344512 871034088 /nfs/dbraw/zinc/03/40/88/871034088.db2.gz NAMZEFRRGYRGJL-UHFFFAOYSA-N -1 3 392.333 3.583 20 0 GHADHM Cc1onc(-c2ccccc2C)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001169075634 871165081 /nfs/dbraw/zinc/16/50/81/871165081.db2.gz NQQNERFVLDSMAV-UHFFFAOYSA-N -1 3 378.432 3.652 20 0 GHADHM CSc1[n-]nc(NC(=O)c2ccccc2-c2cccc(Cl)c2)c1C(N)=O ZINC001193804042 871317318 /nfs/dbraw/zinc/31/73/18/871317318.db2.gz UXXBYNRVSFBVLS-UHFFFAOYSA-N -1 3 386.864 3.803 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(C(C)C)ccc1Cl ZINC001193844623 871348461 /nfs/dbraw/zinc/34/84/61/871348461.db2.gz HIPRWNXVPQMHKB-UHFFFAOYSA-N -1 3 378.812 3.617 20 0 GHADHM O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001169269192 871381140 /nfs/dbraw/zinc/38/11/40/871381140.db2.gz RSXFIYCAMXPKTO-MQMHXKEQSA-N -1 3 386.423 3.859 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCOC1 ZINC001194060237 871469301 /nfs/dbraw/zinc/46/93/01/871469301.db2.gz KUCBVXCFCMASLQ-MFKMUULPSA-N -1 3 396.734 3.586 20 0 GHADHM CC(C)COc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1F ZINC001194100594 871505629 /nfs/dbraw/zinc/50/56/29/871505629.db2.gz INBJRDCHDYTZKP-UHFFFAOYSA-N -1 3 378.425 3.944 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1C ZINC000539191807 871509807 /nfs/dbraw/zinc/50/98/07/871509807.db2.gz FPIPGNFSVVGXDG-UHFFFAOYSA-N -1 3 381.519 3.851 20 0 GHADHM O=C(NC1(c2noc(C3CCCC3)n2)CCCCCC1)c1cccc2n[n-]nc21 ZINC000525874913 871650346 /nfs/dbraw/zinc/65/03/46/871650346.db2.gz PVTAVRZBDAPBNT-UHFFFAOYSA-N -1 3 394.479 3.978 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1 ZINC001194343374 871655863 /nfs/dbraw/zinc/65/58/63/871655863.db2.gz JYQUIRNYCGVIHJ-UHFFFAOYSA-N -1 3 384.244 3.751 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)nc2)c(F)c1F ZINC001194389844 871665408 /nfs/dbraw/zinc/66/54/08/871665408.db2.gz CNMGTVZOQIBHCU-VIFPVBQESA-N -1 3 380.338 3.727 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592519 871727611 /nfs/dbraw/zinc/72/76/11/871727611.db2.gz UMBXWIXQFSOQSO-UHFFFAOYSA-N -1 3 384.885 3.828 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)s1 ZINC000462155232 871746151 /nfs/dbraw/zinc/74/61/51/871746151.db2.gz IKGYSAXCGPZVOE-QMMMGPOBSA-N -1 3 380.354 3.790 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)c1 ZINC000525967353 871817792 /nfs/dbraw/zinc/81/77/92/871817792.db2.gz GFFWVRGBDNBYIK-FQEVSTJZSA-N -1 3 377.444 3.823 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1F)c1ccc2ccccc2c1F ZINC001194680321 871885472 /nfs/dbraw/zinc/88/54/72/871885472.db2.gz ATEWEZMHMJCQKK-BEFAXECRSA-N -1 3 375.396 3.729 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1Cl ZINC000477792811 871916358 /nfs/dbraw/zinc/91/63/58/871916358.db2.gz OQPSCXBFNGMEKW-UHFFFAOYSA-N -1 3 391.761 3.670 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2c1cccc2NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194782530 871930404 /nfs/dbraw/zinc/93/04/04/871930404.db2.gz SNSBSFYEMSWVQL-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)c(C)c1C ZINC001194863255 871995218 /nfs/dbraw/zinc/99/52/18/871995218.db2.gz FFYRUFGYLGHKIK-UHFFFAOYSA-N -1 3 379.478 3.747 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)=O)cc(C(C)=O)c2)c(C)c1C ZINC001194866072 871999174 /nfs/dbraw/zinc/99/91/74/871999174.db2.gz BWSRPCIVVVPCEE-UHFFFAOYSA-N -1 3 389.473 3.826 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@@H](C)C3CCCCC3)c2)[n-]1 ZINC000447681554 872092326 /nfs/dbraw/zinc/09/23/26/872092326.db2.gz PFAIOQPNAPIDDJ-OAHLLOKOSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@@H](C)C3CCCCC3)c2)n[n-]1 ZINC000447681554 872092351 /nfs/dbraw/zinc/09/23/51/872092351.db2.gz PFAIOQPNAPIDDJ-OAHLLOKOSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCCOc2ccc(Cl)cc2Cl)[n-]1 ZINC000618919645 872157268 /nfs/dbraw/zinc/15/72/68/872157268.db2.gz MPOGRAMNZDLPBI-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c[n-]1 ZINC000618919645 872157273 /nfs/dbraw/zinc/15/72/73/872157273.db2.gz MPOGRAMNZDLPBI-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Br)c([O-])c3)cccc21 ZINC000447730419 872177096 /nfs/dbraw/zinc/17/70/96/872177096.db2.gz QEKDFQQWBLNBAS-OAHLLOKOSA-N -1 3 391.265 3.792 20 0 GHADHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302489 872324274 /nfs/dbraw/zinc/32/42/74/872324274.db2.gz HKNFMPCJVSRCFA-LBPRGKRZSA-N -1 3 382.357 3.516 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)c1[O-] ZINC000552288153 872354279 /nfs/dbraw/zinc/35/42/79/872354279.db2.gz DUSJDJIRKQLDTF-VIFPVBQESA-N -1 3 395.242 3.659 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2sccc21)c1cc(Br)ccc1F ZINC001195511294 872462073 /nfs/dbraw/zinc/46/20/73/872462073.db2.gz URTMDPDRRLGXJP-NSHDSACASA-N -1 3 376.272 3.616 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000478109467 872517277 /nfs/dbraw/zinc/51/72/77/872517277.db2.gz HOULLCPFIUVIDS-HUUCEWRRSA-N -1 3 390.480 3.793 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000478133604 872580407 /nfs/dbraw/zinc/58/04/07/872580407.db2.gz ATFCBOMDYLUAKH-HUUCEWRRSA-N -1 3 390.480 3.793 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)[n-]1 ZINC000619446742 872635180 /nfs/dbraw/zinc/63/51/80/872635180.db2.gz WBNZAISEAJJADY-HLASGMPESA-N -1 3 385.386 3.674 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)c[n-]1 ZINC000619446742 872635190 /nfs/dbraw/zinc/63/51/90/872635190.db2.gz WBNZAISEAJJADY-HLASGMPESA-N -1 3 385.386 3.674 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)[n-]1 ZINC000619448356 872636723 /nfs/dbraw/zinc/63/67/23/872636723.db2.gz NWHLJQYGNXDPEZ-QGZVFWFLSA-N -1 3 399.834 3.999 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)c[n-]1 ZINC000619448356 872636728 /nfs/dbraw/zinc/63/67/28/872636728.db2.gz NWHLJQYGNXDPEZ-QGZVFWFLSA-N -1 3 399.834 3.999 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc2n[n-]nc21 ZINC000527105857 872666187 /nfs/dbraw/zinc/66/61/87/872666187.db2.gz LMYAVPMBWUIQLX-OAQYLSRUSA-N -1 3 384.439 3.802 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2c(CC)onc2-c2ccccc2Cl)[n-]1 ZINC000619449465 872666622 /nfs/dbraw/zinc/66/66/22/872666622.db2.gz IASWHRFBFRTIBC-UHFFFAOYSA-N -1 3 388.811 3.710 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2c(CC)onc2-c2ccccc2Cl)c[n-]1 ZINC000619449465 872666636 /nfs/dbraw/zinc/66/66/36/872666636.db2.gz IASWHRFBFRTIBC-UHFFFAOYSA-N -1 3 388.811 3.710 20 0 GHADHM O=S(=O)([N-]c1ccc2c(cnn2Cc2ccc(F)cc2)c1)c1ccc(O)cc1 ZINC001195807686 872678760 /nfs/dbraw/zinc/67/87/60/872678760.db2.gz SBODCQURGUIILB-UHFFFAOYSA-N -1 3 397.431 3.730 20 0 GHADHM COC(=O)c1cccc(-c2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c2)c1 ZINC001195810945 872682219 /nfs/dbraw/zinc/68/22/19/872682219.db2.gz PBEXZNSNVKEVBR-UHFFFAOYSA-N -1 3 383.425 3.647 20 0 GHADHM O=S(=O)(N[C@@H]1CCCc2c(Br)cccc21)c1ccc([O-])cc1 ZINC001195835894 872703721 /nfs/dbraw/zinc/70/37/21/872703721.db2.gz PFVVAHXVJSAVRJ-MRXNPFEDSA-N -1 3 382.279 3.511 20 0 GHADHM O=c1[n-]c(-c2cnc(OCC(F)(F)F)cn2)nc2sc3ccccc3c21 ZINC000478236439 872740586 /nfs/dbraw/zinc/74/05/86/872740586.db2.gz XYJXZFKAIHIMEY-UHFFFAOYSA-N -1 3 378.335 3.948 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(F)cc1N ZINC000767725693 872790758 /nfs/dbraw/zinc/79/07/58/872790758.db2.gz RVEOBINDCWKNGX-MRVPVSSYSA-N -1 3 391.424 3.662 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000527281157 872891382 /nfs/dbraw/zinc/89/13/82/872891382.db2.gz ZIHQDXODGQCAJV-QMTHXVAHSA-N -1 3 380.370 3.962 20 0 GHADHM O=C([N-]c1noc2cnccc12)c1nc(-c2ccccc2)ncc1Br ZINC001196249563 872970165 /nfs/dbraw/zinc/97/01/65/872970165.db2.gz WDVAVEJPLIXKMN-UHFFFAOYSA-N -1 3 396.204 3.695 20 0 GHADHM O=C(Nc1nc(C2CC2)cs1)c1cc([O-])cc(I)c1 ZINC001196399867 873076252 /nfs/dbraw/zinc/07/62/52/873076252.db2.gz UAMCQKCSNWPSCM-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM O=C(Nc1ccc(C(F)F)cn1)c1cc([O-])cc(I)c1 ZINC001196403274 873078178 /nfs/dbraw/zinc/07/81/78/873078178.db2.gz XNACBLZQXWTRTR-UHFFFAOYSA-N -1 3 390.127 3.582 20 0 GHADHM CCCCc1nc(NC(=O)C[C@H](C)c2c(C)noc2C)c(C(=O)OCC)[n-]1 ZINC000191962678 882684651 /nfs/dbraw/zinc/68/46/51/882684651.db2.gz AXOLDLHURGHRSA-NSHDSACASA-N -1 3 376.457 3.666 20 0 GHADHM Cc1cc2cc(C(=O)NN=c3nc(C)cc(C)[n-]3)oc2c(Br)c1 ZINC000183018176 873124409 /nfs/dbraw/zinc/12/44/09/873124409.db2.gz RODCBXCIIMUNIX-UHFFFAOYSA-N -1 3 375.226 3.667 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499533 873184439 /nfs/dbraw/zinc/18/44/39/873184439.db2.gz JSJQYLCLHKUVLY-HNNXBMFYSA-N -1 3 386.839 3.563 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000527523240 873244535 /nfs/dbraw/zinc/24/45/35/873244535.db2.gz VIAFYRKEBDIMBU-MWLCHTKSSA-N -1 3 385.258 3.711 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000122772750 882704254 /nfs/dbraw/zinc/70/42/54/882704254.db2.gz JRRJTRFNMQKBEA-QWHCGFSZSA-N -1 3 398.406 3.819 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC001196634775 873274125 /nfs/dbraw/zinc/27/41/25/873274125.db2.gz YZDOWXJIKQNQOX-UHFFFAOYSA-N -1 3 381.350 3.867 20 0 GHADHM COC(=O)c1ccc(NC(=S)Nc2c([O-])cccc2Br)cc1 ZINC001196760811 873333217 /nfs/dbraw/zinc/33/32/17/873333217.db2.gz UOYDEFSIXNOJQJ-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(F)c(OCc3ccccc3)c2)[n-]1 ZINC001196832790 873391534 /nfs/dbraw/zinc/39/15/34/873391534.db2.gz CXGBWXLNVQOXDQ-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(F)c(OCc3ccccc3)c2)c[n-]1 ZINC001196832790 873391546 /nfs/dbraw/zinc/39/15/46/873391546.db2.gz CXGBWXLNVQOXDQ-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Br)c1ccccc1 ZINC000768566525 873393218 /nfs/dbraw/zinc/39/32/18/873393218.db2.gz CKOMMYWMYZVJST-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1F ZINC001196877520 873423619 /nfs/dbraw/zinc/42/36/19/873423619.db2.gz BDEDYRCWCNVMRQ-UHFFFAOYSA-N -1 3 397.468 3.667 20 0 GHADHM O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134083724 882724307 /nfs/dbraw/zinc/72/43/07/882724307.db2.gz UCJYOYLSPKNKBP-UHFFFAOYSA-N -1 3 390.720 3.572 20 0 GHADHM O=C(OCc1ccc(C(F)(F)F)cn1)c1cccc(Br)c1[O-] ZINC000768696258 873503093 /nfs/dbraw/zinc/50/30/93/873503093.db2.gz FJQWLKVPGLFQQI-UHFFFAOYSA-N -1 3 376.128 3.926 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC001197066916 873574862 /nfs/dbraw/zinc/57/48/62/873574862.db2.gz PDJQWFXBSBCOJQ-NTEUORMPSA-N -1 3 388.489 3.520 20 0 GHADHM CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000768889569 873650583 /nfs/dbraw/zinc/65/05/83/873650583.db2.gz JPZQOLBVRWCQLM-IBGZPJMESA-N -1 3 380.362 3.876 20 0 GHADHM CCOC(=O)c1cnc(C(=O)[N-]c2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000541527749 873780531 /nfs/dbraw/zinc/78/05/31/873780531.db2.gz BDZWVRPZMSQRDC-UHFFFAOYSA-N -1 3 388.836 3.683 20 0 GHADHM COCOc1ccc(F)c(C(=O)Nc2cc(Br)ccc2[O-])c1F ZINC001197443322 873789228 /nfs/dbraw/zinc/78/92/28/873789228.db2.gz LIBCZRFJFUXSIC-UHFFFAOYSA-N -1 3 388.164 3.668 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448717197 873848225 /nfs/dbraw/zinc/84/82/25/873848225.db2.gz ZOEZSLGUFJSRIC-AWEZNQCLSA-N -1 3 387.455 3.825 20 0 GHADHM Cc1ncc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c(=O)[n-]1 ZINC000541569623 873882725 /nfs/dbraw/zinc/88/27/25/873882725.db2.gz IQXYSVFNAFFDRB-FQEVSTJZSA-N -1 3 397.862 3.794 20 0 GHADHM O=C1c2ccccc2CC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197555940 873897224 /nfs/dbraw/zinc/89/72/24/873897224.db2.gz YMLXBCLQOVHQBD-MRXNPFEDSA-N -1 3 384.284 3.611 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1C(F)(F)F ZINC001197600037 873934214 /nfs/dbraw/zinc/93/42/14/873934214.db2.gz HGRDXLDUGMRLPH-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134222693 882792912 /nfs/dbraw/zinc/79/29/12/882792912.db2.gz QBUAADOMELVDTJ-UHFFFAOYSA-N -1 3 384.329 3.699 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000448887176 874186694 /nfs/dbraw/zinc/18/66/94/874186694.db2.gz WLDWQTJPVNXBRC-QGZVFWFLSA-N -1 3 384.234 3.981 20 0 GHADHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000769693541 874236184 /nfs/dbraw/zinc/23/61/84/874236184.db2.gz RGUDCDBZRIOUPW-IBGZPJMESA-N -1 3 382.460 3.768 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OCc1ccccc1)c1cccc(Cl)n1 ZINC001198191810 874286025 /nfs/dbraw/zinc/28/60/25/874286025.db2.gz MQIIHDOCOTWIDU-HZPDHXFCSA-N -1 3 380.897 3.541 20 0 GHADHM CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000770010513 874401286 /nfs/dbraw/zinc/40/12/86/874401286.db2.gz HIPYVMGQIVEWJO-UHFFFAOYSA-N -1 3 398.431 3.689 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000858080139 882825472 /nfs/dbraw/zinc/82/54/72/882825472.db2.gz CHNNMFHKOJLEFJ-SNVBAGLBSA-N -1 3 394.258 3.707 20 0 GHADHM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528378032 874479104 /nfs/dbraw/zinc/47/91/04/874479104.db2.gz HAYMYDOZYUJZEM-SJCJKPOMSA-N -1 3 376.250 3.757 20 0 GHADHM Cc1nn(-c2cccnc2)c(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC001198631951 874532461 /nfs/dbraw/zinc/53/24/61/874532461.db2.gz DFFPLRGQORCJPF-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCC12CC2 ZINC000528436220 874573264 /nfs/dbraw/zinc/57/32/64/874573264.db2.gz HSIRPKCWWKFKNR-LLVKDONJSA-N -1 3 376.400 3.596 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Cl)nc(Cl)cc2C(C)=O)c(C)c1 ZINC001198907615 874724322 /nfs/dbraw/zinc/72/43/22/874724322.db2.gz PPOIYZZJUOTFNU-UHFFFAOYSA-N -1 3 389.260 3.709 20 0 GHADHM COC(=O)c1ccccc1NC(=S)Nc1ccc(Br)cc1[O-] ZINC001198973464 874735963 /nfs/dbraw/zinc/73/59/63/874735963.db2.gz LRTIWFKGFFKXOE-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(Cl)c1 ZINC000542004310 874746407 /nfs/dbraw/zinc/74/64/07/874746407.db2.gz DMPBAKBTHGASDM-UHFFFAOYSA-N -1 3 391.836 3.754 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc([S@](C)=O)c3)nc(=O)c2c1C ZINC000770608369 874791371 /nfs/dbraw/zinc/79/13/71/874791371.db2.gz JAQIINSYCQKNLG-SKVICXGVSA-N -1 3 390.486 3.669 20 0 GHADHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1ccc(N2CCCCC2)cc1 ZINC000775931857 874793302 /nfs/dbraw/zinc/79/33/02/874793302.db2.gz DBQUUVLBWJDZHJ-UHFFFAOYSA-N -1 3 388.851 3.831 20 0 GHADHM COc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001199169224 874835196 /nfs/dbraw/zinc/83/51/96/874835196.db2.gz RIJYJYIULVFVMU-UHFFFAOYSA-N -1 3 395.312 3.997 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2oc3c(cccc3Br)c2C)[n-]n1 ZINC000542085322 874899695 /nfs/dbraw/zinc/89/96/95/874899695.db2.gz GPJZHNKYDYQDIH-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2oc3c(cccc3Br)c2C)n[n-]1 ZINC000542085322 874899699 /nfs/dbraw/zinc/89/96/99/874899699.db2.gz GPJZHNKYDYQDIH-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(C)c1F ZINC000542092018 874929377 /nfs/dbraw/zinc/92/93/77/874929377.db2.gz DSDHVGFTIFCJLD-UHFFFAOYSA-N -1 3 380.441 3.538 20 0 GHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525623 875327343 /nfs/dbraw/zinc/32/73/43/875327343.db2.gz ZKCIWOFOFRABLO-UHFFFAOYSA-N -1 3 397.438 3.557 20 0 GHADHM CC(C)c1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000105592755 875340846 /nfs/dbraw/zinc/34/08/46/875340846.db2.gz NFFMSQXNARRYBS-UHFFFAOYSA-N -1 3 394.443 3.781 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(N2CCCC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000771609342 875343187 /nfs/dbraw/zinc/34/31/87/875343187.db2.gz XAFLWQOTUZGHLP-UHFFFAOYSA-N -1 3 394.443 3.691 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc([O-])cc(Br)c1 ZINC000528958335 875344655 /nfs/dbraw/zinc/34/46/55/875344655.db2.gz GOYYNKMMIVLMFB-SUMWQHHRSA-N -1 3 376.250 3.662 20 0 GHADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc([O-])cc(Br)c1 ZINC000528958334 875345531 /nfs/dbraw/zinc/34/55/31/875345531.db2.gz GOYYNKMMIVLMFB-GUYCJALGSA-N -1 3 376.250 3.662 20 0 GHADHM CC(C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(C(F)(F)F)cs1 ZINC000465318620 875506708 /nfs/dbraw/zinc/50/67/08/875506708.db2.gz RUJFKAQGBNYSKQ-UHFFFAOYSA-N -1 3 381.379 3.669 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000542422119 875545849 /nfs/dbraw/zinc/54/58/49/875545849.db2.gz QMPRANVBKMKWSL-AWEZNQCLSA-N -1 3 383.279 3.618 20 0 GHADHM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1F ZINC001201283027 875590493 /nfs/dbraw/zinc/59/04/93/875590493.db2.gz SJMLQFQBNNGTND-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc(-c2ccccn2)n1 ZINC000151579804 875628615 /nfs/dbraw/zinc/62/86/15/875628615.db2.gz HKMWVBIQJJGXKY-UHFFFAOYSA-N -1 3 390.262 3.603 20 0 GHADHM CC(C)[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H](O)c1ccccc1 ZINC000529216121 875843458 /nfs/dbraw/zinc/84/34/58/875843458.db2.gz GVUSKSPCTNJKSS-IRXDYDNUSA-N -1 3 378.266 3.643 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000179403082 882970206 /nfs/dbraw/zinc/97/02/06/882970206.db2.gz HERDSNDVHAZFEG-IBGZPJMESA-N -1 3 391.427 3.918 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c(C)c1C ZINC001201799948 875867624 /nfs/dbraw/zinc/86/76/24/875867624.db2.gz WOUWGXFSWLZUDT-UHFFFAOYSA-N -1 3 375.490 3.807 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1Cl)c1cccc(F)c1Br ZINC001201789101 875884212 /nfs/dbraw/zinc/88/42/12/875884212.db2.gz VFNSGEVOCGIEIO-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cccc(F)c1Br ZINC001201790783 875885199 /nfs/dbraw/zinc/88/51/99/875885199.db2.gz WTPWMWSNLDTFNQ-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1cccc(F)c1Br ZINC001201790303 875885607 /nfs/dbraw/zinc/88/56/07/875885607.db2.gz ZFMIWULAAOGDKY-CYBMUJFWSA-N -1 3 398.297 3.987 20 0 GHADHM O=S(=O)([N-]Cc1nccc2ccccc21)c1cccc(F)c1Br ZINC001201791819 875886651 /nfs/dbraw/zinc/88/66/51/875886651.db2.gz ZLUTUQLGLSVQKP-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CCCOc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(OC(F)F)c1 ZINC000450122654 875992375 /nfs/dbraw/zinc/99/23/75/875992375.db2.gz QMPZGGXHJHNLCV-UHFFFAOYSA-N -1 3 383.366 3.780 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCC[C@H](C)C1 ZINC000730363893 876160932 /nfs/dbraw/zinc/16/09/32/876160932.db2.gz GOROERSXGGNVGC-BLLLJJGKSA-N -1 3 398.297 3.595 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCSc3ccccc3)[n-]c(=O)c12 ZINC000776285417 876186122 /nfs/dbraw/zinc/18/61/22/876186122.db2.gz QWHHYPWNLNRJQJ-UHFFFAOYSA-N -1 3 387.486 3.710 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000785851765 876302011 /nfs/dbraw/zinc/30/20/11/876302011.db2.gz NHAQTPQMXHGYNU-AWEZNQCLSA-N -1 3 397.175 3.565 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1OC ZINC000107532312 876368486 /nfs/dbraw/zinc/36/84/86/876368486.db2.gz OUWACTMTUZSSRM-UHFFFAOYSA-N -1 3 396.896 3.758 20 0 GHADHM CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)cc1 ZINC000786032002 876419822 /nfs/dbraw/zinc/41/98/22/876419822.db2.gz XBLWDFKMFDEMFM-GFCCVEGCSA-N -1 3 384.388 3.510 20 0 GHADHM O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1cc2sccc2c([O-])c1 ZINC000786141067 876470949 /nfs/dbraw/zinc/47/09/49/876470949.db2.gz IBUJKWOTVKIEHD-UHFFFAOYSA-N -1 3 396.380 3.743 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cc(F)c(Br)cc1F ZINC000529751676 876622808 /nfs/dbraw/zinc/62/28/08/876622808.db2.gz PRPDQEYZIYGZQH-ZETCQYMHSA-N -1 3 398.207 3.591 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cnn(-c2ccccc2)c1C(F)F ZINC000850296017 876791738 /nfs/dbraw/zinc/79/17/38/876791738.db2.gz SQYBFPDTHMMGNN-UHFFFAOYSA-N -1 3 386.358 3.540 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000174039412 876793094 /nfs/dbraw/zinc/79/30/94/876793094.db2.gz SROWXOJEAGOHEK-SNVBAGLBSA-N -1 3 391.415 3.567 20 0 GHADHM O=C(NN=C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1[O-] ZINC000064305989 883075405 /nfs/dbraw/zinc/07/54/05/883075405.db2.gz VCHJILUPBGZZCW-UHFFFAOYSA-N -1 3 375.831 3.567 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000174328277 876967663 /nfs/dbraw/zinc/96/76/63/876967663.db2.gz FIXVHUVZGNOSKV-OAHLLOKOSA-N -1 3 389.521 3.501 20 0 GHADHM CCCCCCNC(=O)[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786851711 876984087 /nfs/dbraw/zinc/98/40/87/876984087.db2.gz PRNWEYYXKAHVCB-SFHVURJKSA-N -1 3 392.515 3.789 20 0 GHADHM O=C(Nc1cc2c(cc1Cl)CCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000530020984 877014992 /nfs/dbraw/zinc/01/49/92/877014992.db2.gz RYQNALZBBBTIBU-GOSISDBHSA-N -1 3 384.863 3.778 20 0 GHADHM Cc1cccc([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c1C ZINC000850576241 877043699 /nfs/dbraw/zinc/04/36/99/877043699.db2.gz JRAGMWRABOZJGO-HNNXBMFYSA-N -1 3 386.496 3.675 20 0 GHADHM Cc1nc(-c2ccc(NC[C@H](c3ccccc3Cl)N(C)C)nc2)[n-]c(=O)c1C ZINC000174672316 877161264 /nfs/dbraw/zinc/16/12/64/877161264.db2.gz GGMMFYJJDPIFEJ-GOSISDBHSA-N -1 3 397.910 3.817 20 0 GHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1Cl ZINC000451022014 877200664 /nfs/dbraw/zinc/20/06/64/877200664.db2.gz GHKRGXFVNLWPPM-UHFFFAOYSA-N -1 3 395.864 3.570 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787302191 877329613 /nfs/dbraw/zinc/32/96/13/877329613.db2.gz HHFRXCMZCZVENI-RHSMWYFYSA-N -1 3 394.487 3.616 20 0 GHADHM O=C(NCCc1cc2ccccc2[nH]1)NCc1ccc([O-])c(Br)c1 ZINC000136712244 877317342 /nfs/dbraw/zinc/31/73/42/877317342.db2.gz DHWYMGFFGNKWAU-UHFFFAOYSA-N -1 3 388.265 3.678 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)c(C)c1 ZINC000530318429 877534795 /nfs/dbraw/zinc/53/47/95/877534795.db2.gz ZHPMALDWKJJCRX-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1)c1ccccc1 ZINC000615345900 877642470 /nfs/dbraw/zinc/64/24/70/877642470.db2.gz BVIDILPAJZYNQZ-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1)c1ccccc1 ZINC000615345900 877642477 /nfs/dbraw/zinc/64/24/77/877642477.db2.gz BVIDILPAJZYNQZ-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM COc1ccc(C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000787828277 877644669 /nfs/dbraw/zinc/64/46/69/877644669.db2.gz JAFCPLZULUNDTL-UHFFFAOYSA-N -1 3 380.799 3.942 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCc2ccccc21 ZINC000787847100 877666143 /nfs/dbraw/zinc/66/61/43/877666143.db2.gz ZUGNPPAZXVIQCD-OAHLLOKOSA-N -1 3 385.435 3.765 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000788113604 877869233 /nfs/dbraw/zinc/86/92/33/877869233.db2.gz ZSSKHVOPJBTXNP-UHFFFAOYSA-N -1 3 388.374 3.820 20 0 GHADHM Cc1ccncc1S(=O)(=O)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000451382469 877878457 /nfs/dbraw/zinc/87/84/57/877878457.db2.gz HIRMBIZNBDHYGI-ZDUSSCGKSA-N -1 3 396.337 3.573 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[N-]OC1CCOCC1 ZINC000772719185 878047097 /nfs/dbraw/zinc/04/70/97/878047097.db2.gz PXHHBFOWEARDRR-UHFFFAOYSA-N -1 3 385.247 3.808 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000776573558 878155986 /nfs/dbraw/zinc/15/59/86/878155986.db2.gz CZECVMFGKULJQU-UHFFFAOYSA-N -1 3 391.349 3.683 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000176338922 878219353 /nfs/dbraw/zinc/21/93/53/878219353.db2.gz GMFSQURMXTWTFX-UHFFFAOYSA-N -1 3 395.484 3.940 20 0 GHADHM CC(C)(C)C(=O)OCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000788809431 878333804 /nfs/dbraw/zinc/33/38/04/878333804.db2.gz IHAXGCDRPNAPRD-UHFFFAOYSA-N -1 3 392.868 3.813 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cc2c(cc1Cl)OCCO2 ZINC000176725831 878375600 /nfs/dbraw/zinc/37/56/00/878375600.db2.gz JKDWLFQLVHGMET-UHFFFAOYSA-N -1 3 396.198 3.844 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000537867068 878419895 /nfs/dbraw/zinc/41/98/95/878419895.db2.gz GDMURVXBPDAHIA-HNAYVOBHSA-N -1 3 389.448 3.936 20 0 GHADHM CC(C)(CCCO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000537868502 878420711 /nfs/dbraw/zinc/42/07/11/878420711.db2.gz MDPJLQJWOQJVGF-UHFFFAOYSA-N -1 3 388.942 3.541 20 0 GHADHM O=C(NCc1ccccc1CC(F)(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001170092927 878447185 /nfs/dbraw/zinc/44/71/85/878447185.db2.gz MBPKGKSPPWWPJK-UHFFFAOYSA-N -1 3 396.315 3.841 20 0 GHADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000530818062 878551012 /nfs/dbraw/zinc/55/10/12/878551012.db2.gz XJHJEFPHSOXSKH-UHFFFAOYSA-N -1 3 398.470 3.508 20 0 GHADHM CC(C)(C)OCCCCOC(=O)c1ccc(I)c([O-])c1 ZINC000789088998 878627149 /nfs/dbraw/zinc/62/71/49/878627149.db2.gz AVQDHDCYXDPHDG-UHFFFAOYSA-N -1 3 392.233 3.749 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460836144 878688527 /nfs/dbraw/zinc/68/85/27/878688527.db2.gz JKMQFJJPMYEIHH-UHFFFAOYSA-N -1 3 391.489 3.943 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(-c3ccc(Cl)cc3)s2)o1 ZINC000461099742 879172143 /nfs/dbraw/zinc/17/21/43/879172143.db2.gz OAHYZHGLBAYEDQ-UHFFFAOYSA-N -1 3 382.850 3.712 20 0 GHADHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000538281641 879179835 /nfs/dbraw/zinc/17/98/35/879179835.db2.gz BNPDYTSPJRBZLF-LLVKDONJSA-N -1 3 399.862 3.826 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2ccc(C)nc2Br)c2ccccc2n1C ZINC000789738979 879254774 /nfs/dbraw/zinc/25/47/74/879254774.db2.gz ZTBKDHAPJUHVPS-UHFFFAOYSA-N -1 3 394.294 3.753 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)s1 ZINC000531157842 879262379 /nfs/dbraw/zinc/26/23/79/879262379.db2.gz OLOURFXHCUWYCH-SECBINFHSA-N -1 3 377.857 3.850 20 0 GHADHM CCCCc1nc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(=O)OCC)[n-]1 ZINC000616915041 879262448 /nfs/dbraw/zinc/26/24/48/879262448.db2.gz PBHJFPUWLVRVBU-UHFFFAOYSA-N -1 3 387.333 3.738 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789752973 879265664 /nfs/dbraw/zinc/26/56/64/879265664.db2.gz PHVWMZWUJDVUJS-OAHLLOKOSA-N -1 3 392.496 3.558 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](N2CCCCC2=O)C1 ZINC000746887269 879509882 /nfs/dbraw/zinc/50/98/82/879509882.db2.gz UZOQWEKQRQQMDP-KRWDZBQOSA-N -1 3 394.471 3.802 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493663420 879568003 /nfs/dbraw/zinc/56/80/03/879568003.db2.gz WKXJFUAGLRJHIL-JTQLQIEISA-N -1 3 392.702 3.995 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1C(F)(F)F ZINC000509475917 879638768 /nfs/dbraw/zinc/63/87/68/879638768.db2.gz ABBFEIQTMXIZLE-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CCO[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)C ZINC000493815404 879653839 /nfs/dbraw/zinc/65/38/39/879653839.db2.gz IJBZCBXQSWGYGZ-GFCCVEGCSA-N -1 3 398.750 3.832 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C(C)(C)O1 ZINC000493916901 879716569 /nfs/dbraw/zinc/71/65/69/879716569.db2.gz NSZIVSORHXWQFC-LLVKDONJSA-N -1 3 396.734 3.727 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c(Br)c1 ZINC001212296550 879735678 /nfs/dbraw/zinc/73/56/78/879735678.db2.gz DGCUDVFXRXJIME-ZJUUUORDSA-N -1 3 384.698 3.970 20 0 GHADHM CCCC[C@H](C)N(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000461421271 879776484 /nfs/dbraw/zinc/77/64/84/879776484.db2.gz HBKSPTXWLZEUJO-ZDUSSCGKSA-N -1 3 383.448 3.643 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)sc1Br ZINC001212300020 879810681 /nfs/dbraw/zinc/81/06/81/879810681.db2.gz UIMRQTYWICGRCG-STQMWFEESA-N -1 3 386.336 3.901 20 0 GHADHM Cc1ccc(SC2(CNC(=O)CNC(=O)c3ccc([O-])cc3)CCCC2)cc1 ZINC000531430429 879823352 /nfs/dbraw/zinc/82/33/52/879823352.db2.gz XEBGLNJSGAVEOU-UHFFFAOYSA-N -1 3 398.528 3.652 20 0 GHADHM Cc1cc(C(=O)CO[N-]C(=O)CCCc2ccccc2)c(C)n1CC(F)(F)F ZINC000112335201 879894017 /nfs/dbraw/zinc/89/40/17/879894017.db2.gz BKDOPJGOUNJRPO-UHFFFAOYSA-N -1 3 396.409 3.921 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3ccccc3Cl)nc21 ZINC000494081726 879903656 /nfs/dbraw/zinc/90/36/56/879903656.db2.gz KDEHHNWJCWMSNJ-UHFFFAOYSA-N -1 3 375.837 3.734 20 0 GHADHM CC(C)OCCO[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC000854578820 879917978 /nfs/dbraw/zinc/91/79/78/879917978.db2.gz ZGRUQRNPSPXVJS-UHFFFAOYSA-N -1 3 386.876 3.702 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000247110908 879920501 /nfs/dbraw/zinc/92/05/01/879920501.db2.gz LLRJYEINNJGAIN-IHPCNDPISA-N -1 3 396.462 3.621 20 0 GHADHM CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854582861 879922785 /nfs/dbraw/zinc/92/27/85/879922785.db2.gz LDGIFLCWVZTJAM-UHFFFAOYSA-N -1 3 376.457 3.682 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854583911 879925286 /nfs/dbraw/zinc/92/52/86/879925286.db2.gz QEMQOLUTGBOSJX-INIZCTEOSA-N -1 3 396.447 3.516 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@@H]4C)o3)nc21 ZINC000494110389 879938601 /nfs/dbraw/zinc/93/86/01/879938601.db2.gz GISKBKMBKSUIBL-DOERSZECSA-N -1 3 379.416 3.808 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000746946122 880035214 /nfs/dbraw/zinc/03/52/14/880035214.db2.gz QAQBAKDHMRIVPI-SFHVURJKSA-N -1 3 385.464 3.676 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000613341472 880058581 /nfs/dbraw/zinc/05/85/81/880058581.db2.gz REYQNWNASBPCSA-GFCCVEGCSA-N -1 3 394.460 3.530 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H]1Cc1ccccc1 ZINC000531609845 880182187 /nfs/dbraw/zinc/18/21/87/880182187.db2.gz DLPOMLKTVLDPBK-HNNXBMFYSA-N -1 3 397.272 3.748 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)cc1[O-] ZINC000746992378 880288479 /nfs/dbraw/zinc/28/84/79/880288479.db2.gz BOEUFYNAGDFEDJ-UHFFFAOYSA-N -1 3 386.335 3.722 20 0 GHADHM COC1(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000791322808 880330265 /nfs/dbraw/zinc/33/02/65/880330265.db2.gz NHDURADXTDCSIP-HXUWFJFHSA-N -1 3 397.471 3.756 20 0 GHADHM CSc1c(F)cccc1[N-]C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000855249441 880384179 /nfs/dbraw/zinc/38/41/79/880384179.db2.gz JKGFZBWRZUKLFK-UHFFFAOYSA-N -1 3 378.429 3.937 20 0 GHADHM COc1cc(C)c(Br)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000185004688 880445071 /nfs/dbraw/zinc/44/50/71/880445071.db2.gz LSYMNBVLAPAYIN-UHFFFAOYSA-N -1 3 392.175 3.893 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001183518858 912580143 /nfs/dbraw/zinc/58/01/43/912580143.db2.gz PTJYMJJOEAZLGA-UONOGXRCSA-N -1 3 380.485 3.603 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186181189 880813657 /nfs/dbraw/zinc/81/36/57/880813657.db2.gz WKABSUXNRILGTB-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000186208605 880820234 /nfs/dbraw/zinc/82/02/34/880820234.db2.gz QMDFOZFUMJPIHV-UHFFFAOYSA-N -1 3 386.539 3.827 20 0 GHADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c(C)s1 ZINC000643325554 912630228 /nfs/dbraw/zinc/63/02/28/912630228.db2.gz DNIWEIOSHLBFPO-UHFFFAOYSA-N -1 3 382.205 3.560 20 0 GHADHM CCO[C@H](C)c1nc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cs1 ZINC000186850522 881005137 /nfs/dbraw/zinc/00/51/37/881005137.db2.gz VAZQFRYWSCKYSP-CYBMUJFWSA-N -1 3 391.518 3.913 20 0 GHADHM CCO[C@H](C)c1nc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cs1 ZINC000186850522 881005151 /nfs/dbraw/zinc/00/51/51/881005151.db2.gz VAZQFRYWSCKYSP-CYBMUJFWSA-N -1 3 391.518 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cncc([O-])c2)C[C@@H](c2ccccc2)C1 ZINC001183568099 912637918 /nfs/dbraw/zinc/63/79/18/912637918.db2.gz YECGYHQFHHJNHG-IAGOWNOFSA-N -1 3 397.475 3.767 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1NC(=O)c1ccco1 ZINC000119716681 881118374 /nfs/dbraw/zinc/11/83/74/881118374.db2.gz QYNCXQBICMZCMZ-UHFFFAOYSA-N -1 3 387.395 3.934 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640292936 881298509 /nfs/dbraw/zinc/29/85/09/881298509.db2.gz QKQBKXKZPCPOIS-PSASIEDQSA-N -1 3 376.766 3.559 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(OCCC(C)C)c1 ZINC001129728888 883137760 /nfs/dbraw/zinc/13/77/60/883137760.db2.gz OFCKBCOZRYMMON-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(OCCC(C)C)c1 ZINC001129728888 883137768 /nfs/dbraw/zinc/13/77/68/883137768.db2.gz OFCKBCOZRYMMON-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000551049220 883171758 /nfs/dbraw/zinc/17/17/58/883171758.db2.gz IKDDAPATLOORPL-MJGOQNOKSA-N -1 3 392.459 3.643 20 0 GHADHM CCCC1CCC(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000195354193 883294425 /nfs/dbraw/zinc/29/44/25/883294425.db2.gz PLPHOCNQRHTACI-UHFFFAOYSA-N -1 3 382.508 3.548 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000123260457 883296072 /nfs/dbraw/zinc/29/60/72/883296072.db2.gz NOMYLUANLLHMSB-IIDMSEBBSA-N -1 3 387.277 3.540 20 0 GHADHM O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001183648496 912691666 /nfs/dbraw/zinc/69/16/66/912691666.db2.gz XYTPXZDSYNEZKM-MRXNPFEDSA-N -1 3 389.238 3.758 20 0 GHADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)[N-]OCc1ccc(F)cc1 ZINC000184238639 883339493 /nfs/dbraw/zinc/33/94/93/883339493.db2.gz DYWOSQKRXRWZFP-UHFFFAOYSA-N -1 3 375.787 3.710 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135549001 883439524 /nfs/dbraw/zinc/43/95/24/883439524.db2.gz MDPIVKFNYVGAOL-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135549001 883439533 /nfs/dbraw/zinc/43/95/33/883439533.db2.gz MDPIVKFNYVGAOL-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM COCc1c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)sc2cccc(F)c21 ZINC000135565976 883447752 /nfs/dbraw/zinc/44/77/52/883447752.db2.gz WNSKVJCGIHTECC-UHFFFAOYSA-N -1 3 397.435 3.543 20 0 GHADHM COCc1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)sc2cccc(F)c21 ZINC000135565976 883447761 /nfs/dbraw/zinc/44/77/61/883447761.db2.gz WNSKVJCGIHTECC-UHFFFAOYSA-N -1 3 397.435 3.543 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135575836 883452432 /nfs/dbraw/zinc/45/24/32/883452432.db2.gz VNBWDJIPIFOLAW-OAHLLOKOSA-N -1 3 378.480 3.808 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135575836 883452445 /nfs/dbraw/zinc/45/24/45/883452445.db2.gz VNBWDJIPIFOLAW-OAHLLOKOSA-N -1 3 378.480 3.808 20 0 GHADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209815 883487844 /nfs/dbraw/zinc/48/78/44/883487844.db2.gz ZCNRZWAOMQQRFZ-WDEREUQCSA-N -1 3 396.734 3.586 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805006948 883549892 /nfs/dbraw/zinc/54/98/92/883549892.db2.gz AFSWHOCAHLRXJP-LKFCYVNXSA-N -1 3 393.267 3.582 20 0 GHADHM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000135841400 883567410 /nfs/dbraw/zinc/56/74/10/883567410.db2.gz KKWJMWOGBXDYRA-UHFFFAOYSA-N -1 3 390.443 3.918 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000805110576 883585154 /nfs/dbraw/zinc/58/51/54/883585154.db2.gz ZKJHXHJXVYHSQD-LLVKDONJSA-N -1 3 382.707 3.578 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F ZINC000805121432 883602939 /nfs/dbraw/zinc/60/29/39/883602939.db2.gz CYSWAQBIFNUAMN-LBPRGKRZSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000805090371 883604334 /nfs/dbraw/zinc/60/43/34/883604334.db2.gz NEURABHNNCRODA-UHFFFAOYSA-N -1 3 398.765 3.560 20 0 GHADHM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1OCC(C)C ZINC000551420660 883846083 /nfs/dbraw/zinc/84/60/83/883846083.db2.gz JVSZONGPPFSLJK-JOCHJYFZSA-N -1 3 387.451 3.885 20 0 GHADHM Cc1cc(=O)oc2cc(N(C)Cc3cc(=O)oc4c(C)c([O-])ccc34)ccc12 ZINC000805770428 884051498 /nfs/dbraw/zinc/05/14/98/884051498.db2.gz FBSKJBHRLOUGFH-UHFFFAOYSA-N -1 3 377.396 3.858 20 0 GHADHM CCCNC(=O)OC[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000805776044 884058664 /nfs/dbraw/zinc/05/86/64/884058664.db2.gz LQRJXDFSDSXKAD-AWEZNQCLSA-N -1 3 398.463 3.572 20 0 GHADHM O=C([O-])c1cn(C2CCN(Cc3ccc(Oc4cccc(F)c4)cc3)CC2)nn1 ZINC000859815846 884085254 /nfs/dbraw/zinc/08/52/54/884085254.db2.gz XOVVFJWCVXEXAH-UHFFFAOYSA-N -1 3 396.422 3.745 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1OC ZINC000918660477 884128900 /nfs/dbraw/zinc/12/89/00/884128900.db2.gz KIUUZQNEKGXMPF-WDZFZDKYSA-N -1 3 394.880 3.762 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc2)n1 ZINC000064342986 884229437 /nfs/dbraw/zinc/22/94/37/884229437.db2.gz JTPZRSIGUYSCIQ-UHFFFAOYSA-N -1 3 399.454 3.800 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000032098515 884232013 /nfs/dbraw/zinc/23/20/13/884232013.db2.gz QPCSTGWYLKIPIA-UHFFFAOYSA-N -1 3 377.462 3.826 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1C ZINC000498396955 884293355 /nfs/dbraw/zinc/29/33/55/884293355.db2.gz OMOGQQVDADXWIH-UHFFFAOYSA-N -1 3 386.395 3.946 20 0 GHADHM CCOc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)ccc1OC(F)F ZINC000556321680 884448723 /nfs/dbraw/zinc/44/87/23/884448723.db2.gz FETWLGUATKZFFZ-FQEVSTJZSA-N -1 3 395.377 3.842 20 0 GHADHM C[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000914744825 884685188 /nfs/dbraw/zinc/68/51/88/884685188.db2.gz QPHSDSQHHCFKOM-FFCYNSPCSA-N -1 3 376.334 3.547 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(Cl)c1 ZINC000122620141 884759036 /nfs/dbraw/zinc/75/90/36/884759036.db2.gz DAMBWQZHXSLMKQ-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(Cl)c1 ZINC000122620141 884759054 /nfs/dbraw/zinc/75/90/54/884759054.db2.gz DAMBWQZHXSLMKQ-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CC(C)c1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000122619557 884759306 /nfs/dbraw/zinc/75/93/06/884759306.db2.gz PJYDFUMEBPZINW-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000122619557 884759319 /nfs/dbraw/zinc/75/93/19/884759319.db2.gz PJYDFUMEBPZINW-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)Oc1ccc(CCNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000919047298 884803818 /nfs/dbraw/zinc/80/38/18/884803818.db2.gz URURKISCWRFIOF-UHFFFAOYSA-N -1 3 399.274 3.624 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccccc3C)n2Cc2ccco2)n1 ZINC000761861738 884895178 /nfs/dbraw/zinc/89/51/78/884895178.db2.gz UUMYZSXRIWCWRY-UHFFFAOYSA-N -1 3 393.472 3.991 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cccc(Br)c1 ZINC000747355274 885033169 /nfs/dbraw/zinc/03/31/69/885033169.db2.gz MGPVTQKLALAQAL-UHFFFAOYSA-N -1 3 378.270 3.649 20 0 GHADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cc(S(C)(=O)=O)ccc2F)c1F ZINC000761962032 885052047 /nfs/dbraw/zinc/05/20/47/885052047.db2.gz PQTONIIJCKJMQY-UHFFFAOYSA-N -1 3 377.771 3.722 20 0 GHADHM COc1cc(OC)c(NC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1Cl ZINC000914891768 885119535 /nfs/dbraw/zinc/11/95/35/885119535.db2.gz SQXNCHJCPIXSDA-UHFFFAOYSA-N -1 3 394.836 3.696 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1OC(C)C ZINC000053479376 885134763 /nfs/dbraw/zinc/13/47/63/885134763.db2.gz GRGMKIQIJONXQO-CQSZACIVSA-N -1 3 380.444 3.815 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC(C1CCC1)C1CCC1 ZINC000286807018 912903241 /nfs/dbraw/zinc/90/32/41/912903241.db2.gz VPCPBCGFLIFFPW-UHFFFAOYSA-N -1 3 380.492 3.570 20 0 GHADHM CC(C)CO[N-]C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000153423033 885284867 /nfs/dbraw/zinc/28/48/67/885284867.db2.gz KHECWJKCWAGEAY-UHFFFAOYSA-N -1 3 395.253 3.541 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccccc3C)n[n-]2)o1 ZINC000919329026 885345496 /nfs/dbraw/zinc/34/54/96/885345496.db2.gz KQGQFMUMYCDMTO-HUUCEWRRSA-N -1 3 381.432 3.709 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccccc3C)[n-]n2)o1 ZINC000919329026 885345514 /nfs/dbraw/zinc/34/55/14/885345514.db2.gz KQGQFMUMYCDMTO-HUUCEWRRSA-N -1 3 381.432 3.709 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104366540 885402340 /nfs/dbraw/zinc/40/23/40/885402340.db2.gz CHIAPCPXOOOYKG-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104366540 885402346 /nfs/dbraw/zinc/40/23/46/885402346.db2.gz CHIAPCPXOOOYKG-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=S(=O)([N-]CCNc1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795882389 912945548 /nfs/dbraw/zinc/94/55/48/912945548.db2.gz QRQMEVBERNTJSF-UHFFFAOYSA-N -1 3 378.803 3.749 20 0 GHADHM CSCCO[N-]C(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000861471109 885539341 /nfs/dbraw/zinc/53/93/41/885539341.db2.gz RKSJSPMZGSEYEH-UHFFFAOYSA-N -1 3 376.169 3.631 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C)CC2)cc1Cl ZINC000104737897 885594333 /nfs/dbraw/zinc/59/43/33/885594333.db2.gz XMHSWODBUWTVDI-UHFFFAOYSA-N -1 3 376.881 3.542 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000460418906 885599856 /nfs/dbraw/zinc/59/98/56/885599856.db2.gz KPAYJRVCXNNIEM-UHFFFAOYSA-N -1 3 396.896 3.911 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000614825089 885605183 /nfs/dbraw/zinc/60/51/83/885605183.db2.gz VXVMVNSKHITTJW-UHFFFAOYSA-N -1 3 388.533 3.707 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000108205709 885641241 /nfs/dbraw/zinc/64/12/41/885641241.db2.gz FDQPHDCPQUPULQ-UHFFFAOYSA-N -1 3 381.453 3.927 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000807813184 885737246 /nfs/dbraw/zinc/73/72/46/885737246.db2.gz YIVCDUCXMJURBZ-QFIPXVFZSA-N -1 3 388.508 3.818 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1C ZINC000108762378 885879203 /nfs/dbraw/zinc/87/92/03/885879203.db2.gz UVERWVPWDZCNGG-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000055107408 886004386 /nfs/dbraw/zinc/00/43/86/886004386.db2.gz RONWIJXDQBIUCS-UHFFFAOYSA-N -1 3 384.860 3.728 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(C2(O)COC2)cc1 ZINC000808119530 886029811 /nfs/dbraw/zinc/02/98/11/886029811.db2.gz CNBLTRVMDZQYJY-UHFFFAOYSA-N -1 3 389.517 3.620 20 0 GHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000055620547 886094527 /nfs/dbraw/zinc/09/45/27/886094527.db2.gz APPGCZKUDXTNJA-UHFFFAOYSA-N -1 3 393.679 3.807 20 0 GHADHM O=S(=O)([N-]c1ccc(OCCCO)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000556798406 886191895 /nfs/dbraw/zinc/19/18/95/886191895.db2.gz KORUYALCWJGCTL-UHFFFAOYSA-N -1 3 395.480 3.820 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000499045943 886483027 /nfs/dbraw/zinc/48/30/27/886483027.db2.gz PRGQHQVYCIZPAP-UHFFFAOYSA-N -1 3 375.313 3.507 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2n[nH]c(-c3ccc(Br)cc3)n2)n1 ZINC000532622698 886508236 /nfs/dbraw/zinc/50/82/36/886508236.db2.gz GQXSIXPHQLPKFP-SECBINFHSA-N -1 3 392.282 3.892 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c(Br)c1 ZINC000808575845 886525631 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COc1ccc(-c2nc([N-]C(=O)c3cc(F)c(Cl)cc3F)n[nH]2)c(OC)c1 ZINC000123663165 889360366 /nfs/dbraw/zinc/36/03/66/889360366.db2.gz XUCLYTVEKMRUDY-UHFFFAOYSA-N -1 3 394.765 3.673 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccccn3)n2-c2ccccc2)n1 ZINC000123704499 889372639 /nfs/dbraw/zinc/37/26/39/889372639.db2.gz OFUGEYXZNLXERC-CQSZACIVSA-N -1 3 390.472 3.987 20 0 GHADHM CC(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000122170294 889463967 /nfs/dbraw/zinc/46/39/67/889463967.db2.gz AMWVRFRBKDVEHG-JTQLQIEISA-N -1 3 393.336 3.599 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)sc1Br ZINC000123976341 889468615 /nfs/dbraw/zinc/46/86/15/889468615.db2.gz OOCZKPRLWLYPHL-VIFPVBQESA-N -1 3 380.354 3.790 20 0 GHADHM CCCCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000124020864 889482204 /nfs/dbraw/zinc/48/22/04/889482204.db2.gz SODWIQPQDIIIKT-UHFFFAOYSA-N -1 3 381.476 3.725 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000542600363 889505716 /nfs/dbraw/zinc/50/57/16/889505716.db2.gz HIJFRKDVCSKSGX-RRFJBIMHSA-N -1 3 383.448 3.640 20 0 GHADHM CN(Cc1ccccc1F)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394356 889533268 /nfs/dbraw/zinc/53/32/68/889533268.db2.gz QRQLTJSCQHAYRK-UHFFFAOYSA-N -1 3 380.828 3.837 20 0 GHADHM Cc1cc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)n(C(C)(C)C)n1 ZINC000811394605 889535934 /nfs/dbraw/zinc/53/59/34/889535934.db2.gz GSDKLJRAKJCGNJ-UHFFFAOYSA-N -1 3 394.884 3.938 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3Cc4cccc(Cl)c4C3)nc(=O)c2c1C ZINC000287467380 913356716 /nfs/dbraw/zinc/35/67/16/913356716.db2.gz RPCMOTSRDFAAOU-UHFFFAOYSA-N -1 3 389.864 3.661 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc2c(c1)CCCCC2=O ZINC000811419630 889582146 /nfs/dbraw/zinc/58/21/46/889582146.db2.gz INQJVAYWPRQKPW-UHFFFAOYSA-N -1 3 378.384 3.708 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3cc([O-])ccc3Cl)C2)C1 ZINC000811505315 889696278 /nfs/dbraw/zinc/69/62/78/889696278.db2.gz KPPAFNQBQPDUKW-HXUWFJFHSA-N -1 3 394.899 3.909 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 ZINC000064342764 889911516 /nfs/dbraw/zinc/91/15/16/889911516.db2.gz ZAECWAAXAKBGIS-UHFFFAOYSA-N -1 3 383.835 3.725 20 0 GHADHM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1=O ZINC000125278701 889935975 /nfs/dbraw/zinc/93/59/75/889935975.db2.gz XAIVKJVHBSPPKI-LLVKDONJSA-N -1 3 394.349 3.554 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@H]1CCSC1 ZINC000869600692 890003927 /nfs/dbraw/zinc/00/39/27/890003927.db2.gz NQAPVNARAXXSBN-OXJNMPFZSA-N -1 3 398.528 3.513 20 0 GHADHM CC(C)CC[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811883102 890085325 /nfs/dbraw/zinc/08/53/25/890085325.db2.gz PVVMUKAKQJGYRK-CABCVRRESA-N -1 3 393.494 3.937 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000125713297 890094305 /nfs/dbraw/zinc/09/43/05/890094305.db2.gz QAYUHHRUQZUOJI-ZDUSSCGKSA-N -1 3 377.485 3.727 20 0 GHADHM CC(C)C[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274960 890493341 /nfs/dbraw/zinc/49/33/41/890493341.db2.gz MSPSACSPBBLIHI-WBVHZDCISA-N -1 3 384.442 3.733 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3sccc3-c3ccc(F)cc3)c([O-])cc21 ZINC000812382555 890594288 /nfs/dbraw/zinc/59/42/88/890594288.db2.gz KQJYDNUTIDLUJJ-UHFFFAOYSA-N -1 3 397.431 3.703 20 0 GHADHM CC(C)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000533524908 890755068 /nfs/dbraw/zinc/75/50/68/890755068.db2.gz UGKSBSDNDIBIBL-SFHVURJKSA-N -1 3 394.393 3.654 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1Cl)c1cccnc1Cl ZINC001184889696 913485749 /nfs/dbraw/zinc/48/57/49/913485749.db2.gz WJUCLKFBZIMQCS-UHFFFAOYSA-N -1 3 377.318 3.600 20 0 GHADHM CC(C)OCCO[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000812804252 890999443 /nfs/dbraw/zinc/99/94/43/890999443.db2.gz LGCYRYXYWXQOCQ-UHFFFAOYSA-N -1 3 376.400 3.721 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@](C)(C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000871750961 891000731 /nfs/dbraw/zinc/00/07/31/891000731.db2.gz CKHBZZZZGLOBMF-QGZVFWFLSA-N -1 3 380.370 3.964 20 0 GHADHM CCCc1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000127447264 891064174 /nfs/dbraw/zinc/06/41/74/891064174.db2.gz FIRMBDHLHAESIV-UHFFFAOYSA-N -1 3 399.563 3.584 20 0 GHADHM CCC[C@H](C)C[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871878021 891069288 /nfs/dbraw/zinc/06/92/88/891069288.db2.gz BKOCDIRMIFIWPY-GXFFZTMASA-N -1 3 393.240 3.799 20 0 GHADHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000127505848 891102583 /nfs/dbraw/zinc/10/25/83/891102583.db2.gz VYYHHXJLYRHBIM-PZJWPPBQSA-N -1 3 376.456 3.957 20 0 GHADHM CCOc1ccccc1OCCN1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872163921 891186864 /nfs/dbraw/zinc/18/68/64/891186864.db2.gz AAZHGRLJEKCPFZ-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@@]2(CCc3ccccc32)C1 ZINC000872165390 891190779 /nfs/dbraw/zinc/19/07/79/891190779.db2.gz DMNBYRRZFZAVFN-QHCPKHFHSA-N -1 3 375.472 3.844 20 0 GHADHM CCCc1nnc([N-]C(=O)c2nnn(-c3cccc(Cl)c3)c2CC)s1 ZINC000067135347 891204278 /nfs/dbraw/zinc/20/42/78/891204278.db2.gz PZEXNRDUKSLGDB-UHFFFAOYSA-N -1 3 376.873 3.539 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccccc3n2C2CCCCC2)c(=O)[n-]1 ZINC000127704492 891215276 /nfs/dbraw/zinc/21/52/76/891215276.db2.gz FLGVTOYHWQPSDF-UHFFFAOYSA-N -1 3 393.491 3.813 20 0 GHADHM O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000917114820 891321041 /nfs/dbraw/zinc/32/10/41/891321041.db2.gz JHFSZVPBPMRMQA-UHFFFAOYSA-N -1 3 398.462 3.562 20 0 GHADHM Cc1cc(CC(C)(C)[N-]S(=O)(=O)c2cscn2)ccc1Br ZINC001212028434 891370703 /nfs/dbraw/zinc/37/07/03/891370703.db2.gz MJADIGCNQVKVRQ-UHFFFAOYSA-N -1 3 389.340 3.514 20 0 GHADHM CCOc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825643023 891407535 /nfs/dbraw/zinc/40/75/35/891407535.db2.gz FYEVXOVHLDSYOV-UHFFFAOYSA-N -1 3 389.463 3.586 20 0 GHADHM CCOc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825643023 891407542 /nfs/dbraw/zinc/40/75/42/891407542.db2.gz FYEVXOVHLDSYOV-UHFFFAOYSA-N -1 3 389.463 3.586 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000872988073 891411978 /nfs/dbraw/zinc/41/19/78/891411978.db2.gz HCGDNDVGWQQUQZ-UYAOXDASSA-N -1 3 384.520 3.945 20 0 GHADHM CCOc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000825649638 891446374 /nfs/dbraw/zinc/44/63/74/891446374.db2.gz TUFWLWXKDQARTF-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM CCOc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000825649638 891446379 /nfs/dbraw/zinc/44/63/79/891446379.db2.gz TUFWLWXKDQARTF-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)C2CC2)no1 ZINC000644951877 913560711 /nfs/dbraw/zinc/56/07/11/913560711.db2.gz BCKFKOHDYLPHSY-GOSISDBHSA-N -1 3 391.880 3.788 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)c1F ZINC000813303924 891493663 /nfs/dbraw/zinc/49/36/63/891493663.db2.gz ZTPSHWXTZFXVOK-UHFFFAOYSA-N -1 3 379.121 3.845 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000067861061 891499135 /nfs/dbraw/zinc/49/91/35/891499135.db2.gz YYKCPMGWCRNKBN-LLVKDONJSA-N -1 3 396.365 3.783 20 0 GHADHM CC[C@H](NCc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl)C(=O)[O-] ZINC000813354747 891535389 /nfs/dbraw/zinc/53/53/89/891535389.db2.gz BQAWEAVWYPBILH-ZDUSSCGKSA-N -1 3 375.778 3.806 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CN[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000874046672 891967584 /nfs/dbraw/zinc/96/75/84/891967584.db2.gz HITBXPAYCKZFOY-GASCZTMLSA-N -1 3 375.852 3.880 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(CCC(C)(C)C)no2)cc1 ZINC000508676430 891979753 /nfs/dbraw/zinc/97/97/53/891979753.db2.gz DIEYBBCHWDLVEI-UHFFFAOYSA-N -1 3 381.498 3.777 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccoc3C)nc(=O)c2c1C ZINC000128476604 891984502 /nfs/dbraw/zinc/98/45/02/891984502.db2.gz SQKGQBARVDOURS-LLVKDONJSA-N -1 3 389.477 3.564 20 0 GHADHM CCCC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC(C)(C)C ZINC000162041400 892041037 /nfs/dbraw/zinc/04/10/37/892041037.db2.gz MORKTPVLMUUNJU-KRWDZBQOSA-N -1 3 392.521 3.555 20 0 GHADHM CO[C@H]1CCC[C@H]1Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000645028915 913621232 /nfs/dbraw/zinc/62/12/32/913621232.db2.gz PDCPSVONIGCZDX-UONOGXRCSA-N -1 3 376.869 3.834 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](c3ccccc3)N(C)CC)c2)n1 ZINC000068284444 892145650 /nfs/dbraw/zinc/14/56/50/892145650.db2.gz IVLUUPIJGKOMAM-OAQYLSRUSA-N -1 3 390.487 3.631 20 0 GHADHM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]c3nc(C(C)C)ns3)n2)n1 ZINC000874697803 892302011 /nfs/dbraw/zinc/30/20/11/892302011.db2.gz FIRCOGABMHZSSX-UHFFFAOYSA-N -1 3 376.873 3.765 20 0 GHADHM O=S(=O)([N-]C1(CC2CCC2)CCC(F)(F)CC1)c1cnc(Cl)nc1 ZINC001185074889 913648549 /nfs/dbraw/zinc/64/85/49/913648549.db2.gz AVTZEWNCADRLBJ-UHFFFAOYSA-N -1 3 379.860 3.547 20 0 GHADHM Cc1noc(C)c1NC(=O)[N-]c1cc(-c2cccc(Br)n2)no1 ZINC001185141723 913660695 /nfs/dbraw/zinc/66/06/95/913660695.db2.gz IGGPTBAEYVCTFR-UHFFFAOYSA-N -1 3 378.186 3.748 20 0 GHADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263115036 892440241 /nfs/dbraw/zinc/44/02/41/892440241.db2.gz LKSGXTPAAMMZNT-OALUTQOASA-N -1 3 394.515 3.858 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000125336401 892506565 /nfs/dbraw/zinc/50/65/65/892506565.db2.gz PYHPTJYHUANQLP-CQSZACIVSA-N -1 3 397.500 3.589 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccn1 ZINC001212229943 892512689 /nfs/dbraw/zinc/51/26/89/892512689.db2.gz WVGDWXMBMXNTNQ-GFCCVEGCSA-N -1 3 391.237 3.552 20 0 GHADHM CCc1sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)nc1-c1ccccc1 ZINC000497834857 892514256 /nfs/dbraw/zinc/51/42/56/892514256.db2.gz ABMKBMGPKWTFGA-UHFFFAOYSA-N -1 3 376.459 3.621 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000263400697 892551365 /nfs/dbraw/zinc/55/13/65/892551365.db2.gz ZYWOXYHQRGGOPC-DGCLKSJQSA-N -1 3 379.254 3.647 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)n1 ZINC000125653738 892868352 /nfs/dbraw/zinc/86/83/52/892868352.db2.gz JLJGBJMMDTYTQU-UHFFFAOYSA-N -1 3 386.477 3.565 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1-c1cccc(C)c1 ZINC000497987919 892915099 /nfs/dbraw/zinc/91/50/99/892915099.db2.gz ZKMDCGPSEPZCJL-UHFFFAOYSA-N -1 3 382.474 3.716 20 0 GHADHM COc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2cc(F)cc(F)c2)nc1 ZINC001185151928 913718596 /nfs/dbraw/zinc/71/85/96/913718596.db2.gz DSHSKDVANLKNLV-UHFFFAOYSA-N -1 3 390.411 3.977 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC=C(C(F)(F)F)CC3)cc2)cc(=O)[n-]1 ZINC000533806201 893066085 /nfs/dbraw/zinc/06/60/85/893066085.db2.gz JOYNCOLMAKPEBJ-UHFFFAOYSA-N -1 3 378.354 3.884 20 0 GHADHM OC[C@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1ccccc1Br ZINC000428653772 893074119 /nfs/dbraw/zinc/07/41/19/893074119.db2.gz ABUUTQVIGQSTNV-VIFPVBQESA-N -1 3 395.244 3.609 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000162768876 893173654 /nfs/dbraw/zinc/17/36/54/893173654.db2.gz JYKMERJQXXUXHK-YPMHNXCESA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000162769105 893173716 /nfs/dbraw/zinc/17/37/16/893173716.db2.gz JYKMERJQXXUXHK-DGCLKSJQSA-N -1 3 383.819 3.595 20 0 GHADHM COc1ccccc1[C@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000876460145 893184896 /nfs/dbraw/zinc/18/48/96/893184896.db2.gz RLMIYLKQJMIGTC-KRWDZBQOSA-N -1 3 383.492 3.537 20 0 GHADHM O=c1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)nc(-c2ccccc2)[n-]1 ZINC000459407371 893462049 /nfs/dbraw/zinc/46/20/49/893462049.db2.gz LZFAZQMILVCMQG-UHFFFAOYSA-N -1 3 393.462 3.558 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N)cc1[O-] ZINC000877068068 893467089 /nfs/dbraw/zinc/46/70/89/893467089.db2.gz PWAVQTUQDMJCSK-YPMHNXCESA-N -1 3 375.266 3.755 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459437193 893495973 /nfs/dbraw/zinc/49/59/73/893495973.db2.gz RDJZTFVJLXVRAN-SNVBAGLBSA-N -1 3 378.270 3.682 20 0 GHADHM O=C([O-])C[C@@H]1CSCCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000563280688 893560937 /nfs/dbraw/zinc/56/09/37/893560937.db2.gz GDYVZLWZGDOKMQ-HXUWFJFHSA-N -1 3 393.512 3.931 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000825957597 893564433 /nfs/dbraw/zinc/56/44/33/893564433.db2.gz DVZGJCQEIMRYBJ-FQEVSTJZSA-N -1 3 390.491 3.940 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000825957597 893564441 /nfs/dbraw/zinc/56/44/41/893564441.db2.gz DVZGJCQEIMRYBJ-FQEVSTJZSA-N -1 3 390.491 3.940 20 0 GHADHM CCC[C@H](NCc1cccc([O-])c1Br)c1nnc2ccccn21 ZINC000459471427 893610578 /nfs/dbraw/zinc/61/05/78/893610578.db2.gz VPINIAJQVWZLPJ-ZDUSSCGKSA-N -1 3 375.270 3.828 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)Cn1c2ccc(F)cc2nc1C1CCC1 ZINC001185299857 913789541 /nfs/dbraw/zinc/78/95/41/913789541.db2.gz WDBUBPQYMOBXKU-UHFFFAOYSA-N -1 3 381.407 3.990 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3sccc3OC(F)F)nc21 ZINC001134937697 893645347 /nfs/dbraw/zinc/64/53/47/893645347.db2.gz USARUJDDQIKGOX-UHFFFAOYSA-N -1 3 381.360 3.655 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000825991828 893744966 /nfs/dbraw/zinc/74/49/66/893744966.db2.gz OUJSPTRQDTWONL-UHFFFAOYSA-N -1 3 395.456 3.737 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000825991828 893744978 /nfs/dbraw/zinc/74/49/78/893744978.db2.gz OUJSPTRQDTWONL-UHFFFAOYSA-N -1 3 395.456 3.737 20 0 GHADHM Cn1ccnc1COc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000918528540 893917337 /nfs/dbraw/zinc/91/73/37/893917337.db2.gz SZXUSFZQECPUBX-UHFFFAOYSA-N -1 3 380.231 3.991 20 0 GHADHM CN(C(=O)COC(=O)c1ccc([O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000022474911 893978535 /nfs/dbraw/zinc/97/85/35/893978535.db2.gz YCXUBDYLMRIKKF-JOCHJYFZSA-N -1 3 393.414 3.936 20 0 GHADHM Cc1cccc(C2(O)CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)c1C ZINC000878135148 894042677 /nfs/dbraw/zinc/04/26/77/894042677.db2.gz NDVAWVMAIDIMKP-UHFFFAOYSA-N -1 3 379.460 3.543 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878192192 894081916 /nfs/dbraw/zinc/08/19/16/894081916.db2.gz WRJHHXURKNKLNO-CQSZACIVSA-N -1 3 396.516 3.880 20 0 GHADHM CC(C)(C)c1ccc([C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)C(F)(F)F)cc1 ZINC000878219559 894102992 /nfs/dbraw/zinc/10/29/92/894102992.db2.gz NVZCOJZWCXDTNY-QGZVFWFLSA-N -1 3 395.425 3.946 20 0 GHADHM CCn1ncc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)F)n1 ZINC000815685564 894113195 /nfs/dbraw/zinc/11/31/95/894113195.db2.gz ADEPITGMQWMJIH-UHFFFAOYSA-N -1 3 380.342 3.926 20 0 GHADHM O=C(C[S@@](=O)c1ccc(Cl)cc1)Nc1cc(Br)ccc1[O-] ZINC001138017224 894214386 /nfs/dbraw/zinc/21/43/86/894214386.db2.gz BTCHWKSPVOROHL-OAQYLSRUSA-N -1 3 388.670 3.554 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(OC(C)(C)C)cn3)c2)n1 ZINC000815961339 894338725 /nfs/dbraw/zinc/33/87/25/894338725.db2.gz KXFNDKUPVUPTPE-UHFFFAOYSA-N -1 3 379.416 3.949 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(c3ccccc3C)CCOCC2)[nH][n-]1 ZINC000537121041 894340004 /nfs/dbraw/zinc/34/00/04/894340004.db2.gz XWKKYAKZOIUSMC-UHFFFAOYSA-N -1 3 375.472 3.802 20 0 GHADHM Cc1ccc(C2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CC2)cn1 ZINC000935336665 894374112 /nfs/dbraw/zinc/37/41/12/894374112.db2.gz ZCZYURPVZPFAQP-UHFFFAOYSA-N -1 3 383.398 3.530 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1F ZINC000537184018 894539087 /nfs/dbraw/zinc/53/90/87/894539087.db2.gz XCHYACHUYOGMOF-CJNGLKHVSA-N -1 3 391.798 3.566 20 0 GHADHM CSCCO[N-]C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC000816547159 894916573 /nfs/dbraw/zinc/91/65/73/894916573.db2.gz MBJNVZRMVFZGQV-UHFFFAOYSA-N -1 3 386.233 3.811 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC000816612718 894974893 /nfs/dbraw/zinc/97/48/93/894974893.db2.gz WYKBQCNOWHSUEE-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000476035748 895021047 /nfs/dbraw/zinc/02/10/47/895021047.db2.gz SRPZRISEVMXUJW-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000476035748 895021064 /nfs/dbraw/zinc/02/10/64/895021064.db2.gz SRPZRISEVMXUJW-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM C[C@H]1CCc2c(sc3[nH]c(CCC(=O)[N-]Oc4ccccc4)nc(=O)c23)C1 ZINC000816684242 895023474 /nfs/dbraw/zinc/02/34/74/895023474.db2.gz SSGXHDSHGLLVMC-LBPRGKRZSA-N -1 3 383.473 3.565 20 0 GHADHM CC(C)C[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000537456231 895024051 /nfs/dbraw/zinc/02/40/51/895024051.db2.gz STLQQTTYJZHHEK-KBPBESRZSA-N -1 3 385.302 3.548 20 0 GHADHM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1c([O-])cccc1Cl ZINC000816769219 895044712 /nfs/dbraw/zinc/04/47/12/895044712.db2.gz YKYJPEGMNUJZQY-UHFFFAOYSA-N -1 3 395.271 3.885 20 0 GHADHM COc1ccc([C@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CCO2)cc1 ZINC000879634849 895188956 /nfs/dbraw/zinc/18/89/56/895188956.db2.gz YAPOFPLNEBLBPV-GOSISDBHSA-N -1 3 391.427 3.664 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000817058137 895296417 /nfs/dbraw/zinc/29/64/17/895296417.db2.gz IBNFFUCZOUVKSK-AWEZNQCLSA-N -1 3 385.876 3.996 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000880230939 895586378 /nfs/dbraw/zinc/58/63/78/895586378.db2.gz QSCFJARWSQAAMI-UWVGGRQHSA-N -1 3 381.420 3.803 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645608121 913989889 /nfs/dbraw/zinc/98/98/89/913989889.db2.gz CCLRASRBKMDXFZ-MRVPVSSYSA-N -1 3 379.734 3.705 20 0 GHADHM COCc1nnc(N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826166089 895726325 /nfs/dbraw/zinc/72/63/25/895726325.db2.gz VNIOMBPFXAKFIN-LBPRGKRZSA-N -1 3 393.476 3.705 20 0 GHADHM COCc1nnc(N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826166089 895726337 /nfs/dbraw/zinc/72/63/37/895726337.db2.gz VNIOMBPFXAKFIN-LBPRGKRZSA-N -1 3 393.476 3.705 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826185467 895920987 /nfs/dbraw/zinc/92/09/87/895920987.db2.gz KVBJSZSALSVNBQ-UHFFFAOYSA-N -1 3 383.374 3.573 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826185467 895920994 /nfs/dbraw/zinc/92/09/94/895920994.db2.gz KVBJSZSALSVNBQ-UHFFFAOYSA-N -1 3 383.374 3.573 20 0 GHADHM COc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826187617 895942473 /nfs/dbraw/zinc/94/24/73/895942473.db2.gz YVTVONZSKXNYQZ-UHFFFAOYSA-N -1 3 394.378 3.869 20 0 GHADHM COc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826187617 895942478 /nfs/dbraw/zinc/94/24/78/895942478.db2.gz YVTVONZSKXNYQZ-UHFFFAOYSA-N -1 3 394.378 3.869 20 0 GHADHM O=S(=O)([N-]c1ccc2cnccc2c1Br)c1ccc(Cl)nc1 ZINC001185686676 914019086 /nfs/dbraw/zinc/01/90/86/914019086.db2.gz CBCFUNHLDGSBLV-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM Cc1c2ccccc2nc(N2CCN(Cc3ccccc3)[C@@H](C)C2)c1C(=O)[O-] ZINC000566290270 896219984 /nfs/dbraw/zinc/21/99/84/896219984.db2.gz DOXYDSXBPNSGQL-INIZCTEOSA-N -1 3 375.472 3.952 20 0 GHADHM CC(C)CN(CCC(=O)[O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000566362937 896257216 /nfs/dbraw/zinc/25/72/16/896257216.db2.gz YYYLHFHBQAPAHI-UHFFFAOYSA-N -1 3 386.286 3.543 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000566362395 896257632 /nfs/dbraw/zinc/25/76/32/896257632.db2.gz SQFJXKASCHUXKM-DJJJIMSYSA-N -1 3 378.856 3.788 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000566510362 896344975 /nfs/dbraw/zinc/34/49/75/896344975.db2.gz PKZBGIVXXMUSSI-DYESRHJHSA-N -1 3 392.499 3.659 20 0 GHADHM COc1cccc([C@@H]2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2(C)C)c1 ZINC000881654348 896439698 /nfs/dbraw/zinc/43/96/98/896439698.db2.gz OTCVKFJCITVREH-IBGZPJMESA-N -1 3 383.492 3.535 20 0 GHADHM CSC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228222 896533832 /nfs/dbraw/zinc/53/38/32/896533832.db2.gz ITLDUZCHCFRCQX-ZIAGYGMSSA-N -1 3 396.520 3.645 20 0 GHADHM CSC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228222 896533837 /nfs/dbraw/zinc/53/38/37/896533837.db2.gz ITLDUZCHCFRCQX-ZIAGYGMSSA-N -1 3 396.520 3.645 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cnn1-c1ccccc1F ZINC000826242159 896594031 /nfs/dbraw/zinc/59/40/31/896594031.db2.gz CESJYHQBOHNOAS-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cnn1-c1ccccc1F ZINC000826242159 896594041 /nfs/dbraw/zinc/59/40/41/896594041.db2.gz CESJYHQBOHNOAS-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000025001082 896635061 /nfs/dbraw/zinc/63/50/61/896635061.db2.gz ITSACNFBANXBDV-UHFFFAOYSA-N -1 3 398.513 3.695 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000826254509 896741397 /nfs/dbraw/zinc/74/13/97/896741397.db2.gz PAHAWPNHHRKNGN-UHFFFAOYSA-N -1 3 398.422 3.763 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000826254509 896741405 /nfs/dbraw/zinc/74/14/05/896741405.db2.gz PAHAWPNHHRKNGN-UHFFFAOYSA-N -1 3 398.422 3.763 20 0 GHADHM COC(=O)c1nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)sc1C(C)C ZINC000289229949 914097736 /nfs/dbraw/zinc/09/77/36/914097736.db2.gz VFESPYCGSZELGB-UHFFFAOYSA-N -1 3 376.331 3.862 20 0 GHADHM O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)nc2C1)c1c(F)ccc([O-])c1F ZINC000819545445 896797011 /nfs/dbraw/zinc/79/70/11/896797011.db2.gz AVEHWCOFYIDHHX-LBPRGKRZSA-N -1 3 375.419 3.729 20 0 GHADHM O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1c(F)ccc([O-])c1F ZINC000819545445 896797020 /nfs/dbraw/zinc/79/70/20/896797020.db2.gz AVEHWCOFYIDHHX-LBPRGKRZSA-N -1 3 375.419 3.729 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(S[C@@H](C)[C@H](C)O)n2)o1 ZINC000826272981 896834549 /nfs/dbraw/zinc/83/45/49/896834549.db2.gz KCHUTCKJMPRPHL-IUCAKERBSA-N -1 3 399.398 3.710 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC001136236596 896845475 /nfs/dbraw/zinc/84/54/75/896845475.db2.gz BGQFMMNGLOUKQM-OAHLLOKOSA-N -1 3 378.428 3.866 20 0 GHADHM O=C([N-]c1ccccc1S(=O)(=O)C1CCCC1)c1cc(-c2ccccn2)no1 ZINC000567207656 896969417 /nfs/dbraw/zinc/96/94/17/896969417.db2.gz NJQJFYKTHSZDNR-UHFFFAOYSA-N -1 3 397.456 3.705 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000819866113 897022215 /nfs/dbraw/zinc/02/22/15/897022215.db2.gz JJUPPJZSMZZJDP-GFCCVEGCSA-N -1 3 381.411 3.569 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000819866113 897022227 /nfs/dbraw/zinc/02/22/27/897022227.db2.gz JJUPPJZSMZZJDP-GFCCVEGCSA-N -1 3 381.411 3.569 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820340409 897280173 /nfs/dbraw/zinc/28/01/73/897280173.db2.gz JYYFRWNUGKEULL-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820340409 897280184 /nfs/dbraw/zinc/28/01/84/897280184.db2.gz JYYFRWNUGKEULL-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358339 897308741 /nfs/dbraw/zinc/30/87/41/897308741.db2.gz MLKNOAMDENVWDD-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358339 897308756 /nfs/dbraw/zinc/30/87/56/897308756.db2.gz MLKNOAMDENVWDD-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000110657354 897315074 /nfs/dbraw/zinc/31/50/74/897315074.db2.gz QPSPHCOWLFOGRH-UHFFFAOYSA-N -1 3 381.383 3.691 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000110657354 897315078 /nfs/dbraw/zinc/31/50/78/897315078.db2.gz QPSPHCOWLFOGRH-UHFFFAOYSA-N -1 3 381.383 3.691 20 0 GHADHM CO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000567692330 897339860 /nfs/dbraw/zinc/33/98/60/897339860.db2.gz VXUJSRLYCLUQFB-QZTJIDSGSA-N -1 3 382.464 3.579 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2ccc(Br)cc2)cc1 ZINC001136347180 897366661 /nfs/dbraw/zinc/36/66/61/897366661.db2.gz MXGOOAOXNCPOBH-UHFFFAOYSA-N -1 3 384.176 3.550 20 0 GHADHM C[C@]1(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)CCCO1 ZINC000820570444 897399382 /nfs/dbraw/zinc/39/93/82/897399382.db2.gz JWVSRORZCDKKOI-HXUWFJFHSA-N -1 3 397.866 3.622 20 0 GHADHM C[C@]1(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)CCCO1 ZINC000820570444 897399385 /nfs/dbraw/zinc/39/93/85/897399385.db2.gz JWVSRORZCDKKOI-HXUWFJFHSA-N -1 3 397.866 3.622 20 0 GHADHM Cc1ccnc(N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826311294 897466501 /nfs/dbraw/zinc/46/65/01/897466501.db2.gz ADSXYEJGMHLDIM-LLVKDONJSA-N -1 3 378.358 3.684 20 0 GHADHM Cc1ccnc(N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826311294 897466513 /nfs/dbraw/zinc/46/65/13/897466513.db2.gz ADSXYEJGMHLDIM-LLVKDONJSA-N -1 3 378.358 3.684 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)c1[O-] ZINC000567901868 897479525 /nfs/dbraw/zinc/47/95/25/897479525.db2.gz VEVVOCXBABYIPR-HXUWFJFHSA-N -1 3 394.471 3.845 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000820707037 897481344 /nfs/dbraw/zinc/48/13/44/897481344.db2.gz ZXXHYGWNKMMNQF-GOSISDBHSA-N -1 3 388.467 3.592 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc(F)c1F ZINC000820798326 897555163 /nfs/dbraw/zinc/55/51/63/897555163.db2.gz JTLBIBFECYMENN-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1nc(-c3cccc(Cl)c3Cl)cs1)C2 ZINC000883408946 897568542 /nfs/dbraw/zinc/56/85/42/897568542.db2.gz KCIGGLSKIWRVCP-BMLIUANNSA-N -1 3 399.299 3.650 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000568075677 897571371 /nfs/dbraw/zinc/57/13/71/897571371.db2.gz WAMRJESENPVJPG-VGTOOOLASA-N -1 3 383.370 3.859 20 0 GHADHM Cc1nc2[nH]ccc2c(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826327320 897638474 /nfs/dbraw/zinc/63/84/74/897638474.db2.gz CNODQWAJXYGFCW-UHFFFAOYSA-N -1 3 377.355 3.616 20 0 GHADHM Cc1nc2[nH]ccc2c(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826327320 897638486 /nfs/dbraw/zinc/63/84/86/897638486.db2.gz CNODQWAJXYGFCW-UHFFFAOYSA-N -1 3 377.355 3.616 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821001945 897662804 /nfs/dbraw/zinc/66/28/04/897662804.db2.gz UCJLQZQBPHIGBR-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821001945 897662809 /nfs/dbraw/zinc/66/28/09/897662809.db2.gz UCJLQZQBPHIGBR-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM Cc1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826329475 897693484 /nfs/dbraw/zinc/69/34/84/897693484.db2.gz FKOBVPDHMGGKOJ-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826329475 897693501 /nfs/dbraw/zinc/69/35/01/897693501.db2.gz FKOBVPDHMGGKOJ-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)ccc1OC(C)C ZINC000821111506 897714406 /nfs/dbraw/zinc/71/44/06/897714406.db2.gz MGUQJTHUQKJENL-UHFFFAOYSA-N -1 3 396.534 3.942 20 0 GHADHM CCCOc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1OCCC ZINC000821134545 897733815 /nfs/dbraw/zinc/73/38/15/897733815.db2.gz YBDYSDRXGXSWEU-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCCOc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1OCCC ZINC000821134545 897733829 /nfs/dbraw/zinc/73/38/29/897733829.db2.gz YBDYSDRXGXSWEU-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000821154629 897765462 /nfs/dbraw/zinc/76/54/62/897765462.db2.gz QEYVITUFCRRHIJ-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM CCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000821154629 897765473 /nfs/dbraw/zinc/76/54/73/897765473.db2.gz QEYVITUFCRRHIJ-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821154595 897765605 /nfs/dbraw/zinc/76/56/05/897765605.db2.gz PQZVKLXFPZFKCG-GJZGRUSLSA-N -1 3 394.479 3.729 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821154595 897765613 /nfs/dbraw/zinc/76/56/13/897765613.db2.gz PQZVKLXFPZFKCG-GJZGRUSLSA-N -1 3 394.479 3.729 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000568367053 897785632 /nfs/dbraw/zinc/78/56/32/897785632.db2.gz DKPHCJYHZFYOIL-ZDUSSCGKSA-N -1 3 375.446 3.630 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000821304510 897833700 /nfs/dbraw/zinc/83/37/00/897833700.db2.gz IHRRZFRBEJPYMC-UHFFFAOYSA-N -1 3 376.342 3.570 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821476598 897917185 /nfs/dbraw/zinc/91/71/85/897917185.db2.gz PYQPNMBCCHPBAG-AWEZNQCLSA-N -1 3 378.432 3.696 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821476598 897917199 /nfs/dbraw/zinc/91/71/99/897917199.db2.gz PYQPNMBCCHPBAG-AWEZNQCLSA-N -1 3 378.432 3.696 20 0 GHADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826352292 897950276 /nfs/dbraw/zinc/95/02/76/897950276.db2.gz VZPGYRTYFSVIBK-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826352292 897950286 /nfs/dbraw/zinc/95/02/86/897950286.db2.gz VZPGYRTYFSVIBK-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826352291 897950482 /nfs/dbraw/zinc/95/04/82/897950482.db2.gz VZPGYRTYFSVIBK-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826352291 897950485 /nfs/dbraw/zinc/95/04/85/897950485.db2.gz VZPGYRTYFSVIBK-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1c2ccccc2-c2ccccc21 ZINC000821571027 897953026 /nfs/dbraw/zinc/95/30/26/897953026.db2.gz WJCSBGPURFJHKB-UHFFFAOYSA-N -1 3 381.439 3.638 20 0 GHADHM CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1c2ccccc2-c2ccccc21 ZINC000821571027 897953038 /nfs/dbraw/zinc/95/30/38/897953038.db2.gz WJCSBGPURFJHKB-UHFFFAOYSA-N -1 3 381.439 3.638 20 0 GHADHM C[C@]1(F)CCN(C(=O)CCCCCCCNC(=O)c2ccccc2[O-])C[C@H]1F ZINC001185930694 914210989 /nfs/dbraw/zinc/21/09/89/914210989.db2.gz KMUJXENJMOHBHE-NQIIRXRSSA-N -1 3 396.478 3.761 20 0 GHADHM COc1ccc(C)nc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185930550 914211369 /nfs/dbraw/zinc/21/13/69/914211369.db2.gz VLYQVUQYUHEUCZ-UHFFFAOYSA-N -1 3 399.491 3.813 20 0 GHADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000568900386 898201282 /nfs/dbraw/zinc/20/12/82/898201282.db2.gz YRFDJDCCRRFHFK-UHFFFAOYSA-N -1 3 381.457 3.977 20 0 GHADHM FC(F)(F)c1ccn([C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)C2)n1 ZINC000826369269 898202507 /nfs/dbraw/zinc/20/25/07/898202507.db2.gz UYWVCVUHKXZTPJ-NSHDSACASA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)C2)n1 ZINC000826369269 898202514 /nfs/dbraw/zinc/20/25/14/898202514.db2.gz UYWVCVUHKXZTPJ-NSHDSACASA-N -1 3 397.792 3.577 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc2nc(Cl)sc2c1 ZINC000772858426 898215720 /nfs/dbraw/zinc/21/57/20/898215720.db2.gz URUVLCDWTNSQOA-UHFFFAOYSA-N -1 3 390.877 3.936 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000826371693 898360485 /nfs/dbraw/zinc/36/04/85/898360485.db2.gz QABDYFURIZNWBQ-UHFFFAOYSA-N -1 3 390.209 3.868 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000826371693 898360497 /nfs/dbraw/zinc/36/04/97/898360497.db2.gz QABDYFURIZNWBQ-UHFFFAOYSA-N -1 3 390.209 3.868 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Cl)c1cnccc1C(F)(F)F ZINC000569139693 898362016 /nfs/dbraw/zinc/36/20/16/898362016.db2.gz RGNWXJKOXOXVCB-GXFFZTMASA-N -1 3 376.787 3.588 20 0 GHADHM Cc1noc(C)c1N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822522773 898409487 /nfs/dbraw/zinc/40/94/87/898409487.db2.gz MUUMKUQPSCKJFM-UHFFFAOYSA-N -1 3 390.403 3.540 20 0 GHADHM Cc1noc(C)c1N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822522773 898409493 /nfs/dbraw/zinc/40/94/93/898409493.db2.gz MUUMKUQPSCKJFM-UHFFFAOYSA-N -1 3 390.403 3.540 20 0 GHADHM CCCN(C(=O)c1nnc2ccccc2c1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000155272016 898549465 /nfs/dbraw/zinc/54/94/65/898549465.db2.gz KSIFHLHZSUXRKW-ZWKOTPCHSA-N -1 3 383.492 3.513 20 0 GHADHM CCCN(C(=O)c1nnc2ccccc2c1[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000155271820 898549642 /nfs/dbraw/zinc/54/96/42/898549642.db2.gz KSIFHLHZSUXRKW-ROUUACIJSA-N -1 3 383.492 3.513 20 0 GHADHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1c([O-])cccc1Cl)CC2 ZINC000569471288 898695716 /nfs/dbraw/zinc/69/57/16/898695716.db2.gz FUGFZXBXKAOXBL-SECBINFHSA-N -1 3 385.773 3.906 20 0 GHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000800208369 898743167 /nfs/dbraw/zinc/74/31/67/898743167.db2.gz GIYGQCQSTVAZDL-SNVBAGLBSA-N -1 3 383.795 3.503 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000800208369 898743175 /nfs/dbraw/zinc/74/31/75/898743175.db2.gz GIYGQCQSTVAZDL-SNVBAGLBSA-N -1 3 383.795 3.503 20 0 GHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000800208369 898743188 /nfs/dbraw/zinc/74/31/88/898743188.db2.gz GIYGQCQSTVAZDL-SNVBAGLBSA-N -1 3 383.795 3.503 20 0 GHADHM CCN(Cc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1)C(=O)C(F)(F)F ZINC000823055024 898811171 /nfs/dbraw/zinc/81/11/71/898811171.db2.gz FELQAOUTJYALAG-UHFFFAOYSA-N -1 3 398.356 3.623 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cncc(-c2ccccc2)c1 ZINC000823331520 898970124 /nfs/dbraw/zinc/97/01/24/898970124.db2.gz DXIQDYAVEOAVEQ-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cncc(-c2ccccc2)c1 ZINC000823331520 898970136 /nfs/dbraw/zinc/97/01/36/898970136.db2.gz DXIQDYAVEOAVEQ-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(COC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000823396000 899008889 /nfs/dbraw/zinc/00/88/89/899008889.db2.gz BXRLTLRBKGLHNF-UHFFFAOYSA-N -1 3 394.456 3.544 20 0 GHADHM O=C(COC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000823396000 899008908 /nfs/dbraw/zinc/00/89/08/899008908.db2.gz BXRLTLRBKGLHNF-UHFFFAOYSA-N -1 3 394.456 3.544 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000774971925 914310577 /nfs/dbraw/zinc/31/05/77/914310577.db2.gz AHAYMKLTCOWTHF-LBPRGKRZSA-N -1 3 387.793 3.914 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1 ZINC000116159873 899251902 /nfs/dbraw/zinc/25/19/02/899251902.db2.gz YQWQEVXIULFJLA-RUZDIDTESA-N -1 3 395.546 3.933 20 0 GHADHM Cc1cc(CS(=O)(=O)[N-][C@@H](c2c(Cl)cccc2Cl)C2CC2)on1 ZINC000570318743 899261438 /nfs/dbraw/zinc/26/14/38/899261438.db2.gz BOEVOKFHSWNXSH-OAHLLOKOSA-N -1 3 375.277 3.861 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)OC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000646229530 914335329 /nfs/dbraw/zinc/33/53/29/914335329.db2.gz PJEQPKUBKYYOHD-CQSZACIVSA-N -1 3 382.464 3.723 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCc2ccc(Br)s2)c1 ZINC000824014568 899334409 /nfs/dbraw/zinc/33/44/09/899334409.db2.gz KWPKYDHHNOTBSF-UHFFFAOYSA-N -1 3 392.282 3.548 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCc2ccc(Br)s2)c1 ZINC000824014568 899334422 /nfs/dbraw/zinc/33/44/22/899334422.db2.gz KWPKYDHHNOTBSF-UHFFFAOYSA-N -1 3 392.282 3.548 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000824154509 899431195 /nfs/dbraw/zinc/43/11/95/899431195.db2.gz OYVHXPPDWAJNKD-PKNBQFBNSA-N -1 3 379.382 3.964 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C3SCCS3)cc2)n1 ZINC000824154646 899431320 /nfs/dbraw/zinc/43/13/20/899431320.db2.gz RGNIIVGWEDBRJV-UHFFFAOYSA-N -1 3 375.519 3.634 20 0 GHADHM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570654243 899473999 /nfs/dbraw/zinc/47/39/99/899473999.db2.gz XOWWDQYYAGTTGU-AWEZNQCLSA-N -1 3 393.472 3.632 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000118996155 899515846 /nfs/dbraw/zinc/51/58/46/899515846.db2.gz ALQLZIHCPSINDR-GOSISDBHSA-N -1 3 377.435 3.501 20 0 GHADHM CC(C)OCCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824315485 899521915 /nfs/dbraw/zinc/52/19/15/899521915.db2.gz OXSHEMKNLKWJHW-UHFFFAOYSA-N -1 3 394.479 3.545 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824402433 899591373 /nfs/dbraw/zinc/59/13/73/899591373.db2.gz WMTOOSRKAHVMIJ-MRXNPFEDSA-N -1 3 375.476 3.631 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824402433 899591380 /nfs/dbraw/zinc/59/13/80/899591380.db2.gz WMTOOSRKAHVMIJ-MRXNPFEDSA-N -1 3 375.476 3.631 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000570842983 899632432 /nfs/dbraw/zinc/63/24/32/899632432.db2.gz UFTDQULHRLIXHO-GHTZIAJQSA-N -1 3 394.515 3.510 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498883 899667085 /nfs/dbraw/zinc/66/70/85/899667085.db2.gz LQOBMXGTKOUNSH-LBPRGKRZSA-N -1 3 398.417 3.585 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2F)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498883 899667089 /nfs/dbraw/zinc/66/70/89/899667089.db2.gz LQOBMXGTKOUNSH-LBPRGKRZSA-N -1 3 398.417 3.585 20 0 GHADHM C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824632773 899728576 /nfs/dbraw/zinc/72/85/76/899728576.db2.gz DOXAQZOZXLRADR-ZDUSSCGKSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824632773 899728586 /nfs/dbraw/zinc/72/85/86/899728586.db2.gz DOXAQZOZXLRADR-ZDUSSCGKSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@H](c1nc(Cc2ccccc2)no1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000571172865 899766523 /nfs/dbraw/zinc/76/65/23/899766523.db2.gz LTMZYCYRFUXQBL-ATZDWAIDSA-N -1 3 377.444 3.522 20 0 GHADHM C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714074 899783204 /nfs/dbraw/zinc/78/32/04/899783204.db2.gz MHHSMOURRKEPOU-LLVKDONJSA-N -1 3 391.353 3.602 20 0 GHADHM C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714074 899783219 /nfs/dbraw/zinc/78/32/19/899783219.db2.gz MHHSMOURRKEPOU-LLVKDONJSA-N -1 3 391.353 3.602 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824714907 899783253 /nfs/dbraw/zinc/78/32/53/899783253.db2.gz PCAWBTFXRJSINP-AWEZNQCLSA-N -1 3 390.443 3.623 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824714907 899783267 /nfs/dbraw/zinc/78/32/67/899783267.db2.gz PCAWBTFXRJSINP-AWEZNQCLSA-N -1 3 390.443 3.623 20 0 GHADHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824724048 899788697 /nfs/dbraw/zinc/78/86/97/899788697.db2.gz XSWBNRGFPVVGSE-SSDOTTSWSA-N -1 3 385.733 3.785 20 0 GHADHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824724048 899788706 /nfs/dbraw/zinc/78/87/06/899788706.db2.gz XSWBNRGFPVVGSE-SSDOTTSWSA-N -1 3 385.733 3.785 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826401642 899800448 /nfs/dbraw/zinc/80/04/48/899800448.db2.gz CXZHEDPNKKPVOH-QXPKXGMISA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826401642 899800454 /nfs/dbraw/zinc/80/04/54/899800454.db2.gz CXZHEDPNKKPVOH-QXPKXGMISA-N -1 3 395.850 3.563 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001186248805 914383916 /nfs/dbraw/zinc/38/39/16/914383916.db2.gz SPJVPRIDUYPLND-UHFFFAOYSA-N -1 3 388.349 3.810 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824867377 899844615 /nfs/dbraw/zinc/84/46/15/899844615.db2.gz PNFUMJRPTQRFCS-BFUOFWGJSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824867377 899844623 /nfs/dbraw/zinc/84/46/23/899844623.db2.gz PNFUMJRPTQRFCS-BFUOFWGJSA-N -1 3 391.431 3.603 20 0 GHADHM CCN(C)C(=O)CCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000120975003 899925778 /nfs/dbraw/zinc/92/57/78/899925778.db2.gz WYGZWHLWBJMMSK-LLVKDONJSA-N -1 3 391.518 3.907 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c(C(=O)OCC)[n-]1 ZINC000571749190 899963485 /nfs/dbraw/zinc/96/34/85/899963485.db2.gz IBSSLFMTBLEYFU-GHMZBOCLSA-N -1 3 375.391 3.846 20 0 GHADHM CC[C@H](C)n1ncc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825083176 899967657 /nfs/dbraw/zinc/96/76/57/899967657.db2.gz YANCJBXHSMEUHS-NSHDSACASA-N -1 3 382.497 3.721 20 0 GHADHM CC[C@H](C)n1ncc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825083176 899967670 /nfs/dbraw/zinc/96/76/70/899967670.db2.gz YANCJBXHSMEUHS-NSHDSACASA-N -1 3 382.497 3.721 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000825287033 900071432 /nfs/dbraw/zinc/07/14/32/900071432.db2.gz IFYQKLBAOLOQNC-CYBMUJFWSA-N -1 3 380.510 3.586 20 0 GHADHM CCN(C(=O)c1cccc2cnccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385360 900116606 /nfs/dbraw/zinc/11/66/06/900116606.db2.gz DERUNJMVYJBTQI-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1cccc2cnccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385360 900116611 /nfs/dbraw/zinc/11/66/11/900116611.db2.gz DERUNJMVYJBTQI-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(C)=O)c1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000825391299 900118494 /nfs/dbraw/zinc/11/84/94/900118494.db2.gz XONMMHNMEWPFSW-UHFFFAOYSA-N -1 3 394.913 3.642 20 0 GHADHM CCN(C(C)=O)c1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000825391299 900118506 /nfs/dbraw/zinc/11/85/06/900118506.db2.gz XONMMHNMEWPFSW-UHFFFAOYSA-N -1 3 394.913 3.642 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2Br)c(Cl)c1 ZINC000135244274 900209223 /nfs/dbraw/zinc/20/92/23/900209223.db2.gz OXNWWOGVHWGDLC-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000884752037 900262452 /nfs/dbraw/zinc/26/24/52/900262452.db2.gz OLCZYYNXVNQFBE-UHFFFAOYSA-N -1 3 387.398 3.863 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cn(C(C)(C)C)nc2Br)c1[O-] ZINC000843887708 900290395 /nfs/dbraw/zinc/29/03/95/900290395.db2.gz ZARYNGCGZDVILJ-UHFFFAOYSA-N -1 3 380.242 3.561 20 0 GHADHM C[C@H](C[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1)NC(=O)OC(C)(C)C ZINC000843934141 900377479 /nfs/dbraw/zinc/37/74/79/900377479.db2.gz JREHHFIEFWYKCM-UONOGXRCSA-N -1 3 382.476 3.662 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ncc(Br)[n-]c1=O ZINC001143703122 900408791 /nfs/dbraw/zinc/40/87/91/900408791.db2.gz UQZXRCWTJZLYIB-UHFFFAOYSA-N -1 3 398.260 3.693 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000843982472 900419815 /nfs/dbraw/zinc/41/98/15/900419815.db2.gz LCVHKJCYJZGNMV-OAHLLOKOSA-N -1 3 397.475 3.592 20 0 GHADHM CCCCc1ncc(CN2CCC[C@@H](C)[C@@H]2CO)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747895 900473983 /nfs/dbraw/zinc/47/39/83/900473983.db2.gz CEPSAPMMQXYJPC-UTKZUKDTSA-N -1 3 399.535 3.565 20 0 GHADHM CCCCc1ncc(CN2CCC[C@@](C)(O)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748557 900475191 /nfs/dbraw/zinc/47/51/91/900475191.db2.gz SCYYOYJOWMHAKO-HSZRJFAPSA-N -1 3 399.535 3.709 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1CCC(F)(F)C1 ZINC000826455640 900646690 /nfs/dbraw/zinc/64/66/90/900646690.db2.gz XVQDXLJMTSSOCR-UHFFFAOYSA-N -1 3 386.362 3.532 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1CCC(F)(F)C1 ZINC000826455640 900646702 /nfs/dbraw/zinc/64/67/02/900646702.db2.gz XVQDXLJMTSSOCR-UHFFFAOYSA-N -1 3 386.362 3.532 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccnc1C1CC1 ZINC000826459672 900688610 /nfs/dbraw/zinc/68/86/10/900688610.db2.gz UFBHOXRFPZWSMV-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccnc1C1CC1 ZINC000826459672 900688615 /nfs/dbraw/zinc/68/86/15/900688615.db2.gz UFBHOXRFPZWSMV-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000574762985 900999222 /nfs/dbraw/zinc/99/92/22/900999222.db2.gz CYBHMDUFPSMAOR-ABSDTBQOSA-N -1 3 380.488 3.576 20 0 GHADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000047049458 901277572 /nfs/dbraw/zinc/27/75/72/901277572.db2.gz RVGKHRAXVXSORN-MRXNPFEDSA-N -1 3 391.446 3.990 20 0 GHADHM Cc1cc(C(C)(C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)ccc1Br ZINC000575913948 901466790 /nfs/dbraw/zinc/46/67/90/901466790.db2.gz SVWTVPSTMJUCME-OAHLLOKOSA-N -1 3 392.297 3.670 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000576282013 901909530 /nfs/dbraw/zinc/90/95/30/901909530.db2.gz RBNKRHNRZFEUSX-HUUCEWRRSA-N -1 3 394.443 3.637 20 0 GHADHM O=c1[n-]c(CN2CCN(c3cccc(F)c3F)CC2)nc2c3ccccc3oc21 ZINC000576970562 902393588 /nfs/dbraw/zinc/39/35/88/902393588.db2.gz MNLXVICFKNMGJC-UHFFFAOYSA-N -1 3 396.397 3.682 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nccn1-c1ccccc1 ZINC000576968704 902393695 /nfs/dbraw/zinc/39/36/95/902393695.db2.gz GNFSPOKTEJWJIQ-GFCCVEGCSA-N -1 3 379.844 3.704 20 0 GHADHM CCC1(C)CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000263709916 902422337 /nfs/dbraw/zinc/42/23/37/902422337.db2.gz QKUJAGIOJRDTID-UHFFFAOYSA-N -1 3 383.514 3.501 20 0 GHADHM C[C@@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1c[nH]c2ccccc21 ZINC000290318682 914627083 /nfs/dbraw/zinc/62/70/83/914627083.db2.gz ICZUHRRHUSFLCJ-UONOGXRCSA-N -1 3 395.425 3.579 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144629101 902532782 /nfs/dbraw/zinc/53/27/82/902532782.db2.gz UGULRLZMOMLJSU-XIRDDKMYSA-N -1 3 377.456 3.575 20 0 GHADHM COC(=O)c1c(C)c(Br)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631289 902537777 /nfs/dbraw/zinc/53/77/77/902537777.db2.gz NDIXEHBNBWYZML-UHFFFAOYSA-N -1 3 396.212 3.570 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)C1 ZINC001144648188 902552500 /nfs/dbraw/zinc/55/25/00/902552500.db2.gz PQQDBBYOPUUVQP-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1F ZINC001144651183 902558429 /nfs/dbraw/zinc/55/84/29/902558429.db2.gz KKXXXFRBJLNLHA-TZIWHRDSSA-N -1 3 390.430 3.516 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@]1(F)Cl ZINC000845978309 902561633 /nfs/dbraw/zinc/56/16/33/902561633.db2.gz YUWAJRQYPAEQNY-CHWSQXEVSA-N -1 3 392.226 3.924 20 0 GHADHM O=C1C[C@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)CN1c1ccc(F)c(F)c1 ZINC001144666467 902586281 /nfs/dbraw/zinc/58/62/81/902586281.db2.gz JPCNOEFQDIHWQQ-FQEVSTJZSA-N -1 3 394.368 3.578 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000577399371 902740483 /nfs/dbraw/zinc/74/04/83/902740483.db2.gz JAWHCUZKUXCVCR-HUUCEWRRSA-N -1 3 392.459 3.683 20 0 GHADHM CN(Cc1ccc(OCC(=O)[O-])cc1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000846280076 902842406 /nfs/dbraw/zinc/84/24/06/902842406.db2.gz IUHYDMWJJKADGW-KRWDZBQOSA-N -1 3 384.259 3.622 20 0 GHADHM O=C([N-]NC(=O)c1ccccc1Cl)c1ccc(Br)cc1Cl ZINC000048169658 903006146 /nfs/dbraw/zinc/00/61/46/903006146.db2.gz NPCYHQQXFLXUBR-UHFFFAOYSA-N -1 3 388.048 3.831 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000131440295 903097166 /nfs/dbraw/zinc/09/71/66/903097166.db2.gz ZYRQSUSLVAXDPO-HZMBPMFUSA-N -1 3 399.310 3.528 20 0 GHADHM O=c1cc(C[S@](=O)Cc2cc(Cl)cc(Cl)c2F)nc(C2CC2)[n-]1 ZINC000600931782 903124298 /nfs/dbraw/zinc/12/42/98/903124298.db2.gz JYLSJPFJJSINKJ-HSZRJFAPSA-N -1 3 375.252 3.954 20 0 GHADHM CC1(C)CN(C2(CNC(=O)c3cc(Cl)ccc3[O-])CCCCC2)CCO1 ZINC001144959069 903251914 /nfs/dbraw/zinc/25/19/14/903251914.db2.gz SYPGRSHHLDGOGP-UHFFFAOYSA-N -1 3 380.916 3.589 20 0 GHADHM Cn1cc([C@H]2CN(Cc3cc(=O)oc4cc([O-])c(Cl)cc34)CC2(C)C)cn1 ZINC000846927531 903309968 /nfs/dbraw/zinc/30/99/68/903309968.db2.gz CAYOTHPMGHOXFS-OAHLLOKOSA-N -1 3 387.867 3.511 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)cc1 ZINC000264850655 903424248 /nfs/dbraw/zinc/42/42/48/903424248.db2.gz OXGNQDHUHNSNTN-UHFFFAOYSA-N -1 3 376.503 3.977 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000578024114 903454566 /nfs/dbraw/zinc/45/45/66/903454566.db2.gz NPVWUZMTLOUGDF-UHFFFAOYSA-N -1 3 383.379 3.647 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1csc(COc2ccc(F)cc2)n1 ZINC000578137641 903549817 /nfs/dbraw/zinc/54/98/17/903549817.db2.gz PTZBFXHRWJIKEV-XZOAIXRZSA-N -1 3 376.453 3.546 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)c1 ZINC001147217410 903737023 /nfs/dbraw/zinc/73/70/23/903737023.db2.gz IMIKJWQDEZLSAI-BLVKFPJESA-N -1 3 388.851 3.676 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)c2cc(=O)cco2)onc1-c1ccccc1 ZINC001147601568 903831987 /nfs/dbraw/zinc/83/19/87/903831987.db2.gz YQAJPOVOTCKZTM-UHFFFAOYSA-N -1 3 382.372 3.502 20 0 GHADHM COCCOC(=O)c1sc2[n-]c(CSc3cccs3)nc(=O)c2c1C ZINC000265358010 903835910 /nfs/dbraw/zinc/83/59/10/903835910.db2.gz 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Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)c([O-])c1 ZINC001148504353 904098863 /nfs/dbraw/zinc/09/88/63/904098863.db2.gz MAHVBJBKEYOVEU-UHFFFAOYSA-N -1 3 396.487 3.618 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000578756463 904101404 /nfs/dbraw/zinc/10/14/04/904101404.db2.gz UMLMJNMGHBTWKJ-CVEARBPZSA-N -1 3 387.398 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)c2)n1 ZINC000578772579 904110913 /nfs/dbraw/zinc/11/09/13/904110913.db2.gz XIGCVGYQYUAEDR-GOSISDBHSA-N -1 3 399.491 3.964 20 0 GHADHM CC(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1[O-] ZINC001148662840 904161857 /nfs/dbraw/zinc/16/18/57/904161857.db2.gz SDXRVYWJYXKRPT-SJORKVTESA-N -1 3 390.480 3.503 20 0 GHADHM CC(=O)c1cc(C(=O)NCc2ccccc2NC(=O)OC(C)(C)C)ccc1[O-] ZINC001148668649 904165613 /nfs/dbraw/zinc/16/56/13/904165613.db2.gz GNJCGAYDYHHSDT-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM CC(C)(c1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1)C(F)(F)F ZINC000888027641 904167641 /nfs/dbraw/zinc/16/76/41/904167641.db2.gz AGEWBRJXTPTUEC-UHFFFAOYSA-N -1 3 386.399 3.633 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCCc2cc(F)ccc2F)s1 ZINC001148732373 904177505 /nfs/dbraw/zinc/17/75/05/904177505.db2.gz VHQZSGLTNXMFPE-UHFFFAOYSA-N -1 3 383.420 3.741 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000152390553 904261759 /nfs/dbraw/zinc/26/17/59/904261759.db2.gz HUADOIVRRVQYLN-NEPJUHHUSA-N -1 3 395.425 3.647 20 0 GHADHM O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000646706078 914795399 /nfs/dbraw/zinc/79/53/99/914795399.db2.gz AYQLSZHLYBEGCO-BEFAXECRSA-N -1 3 379.378 3.559 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186777463 914799940 /nfs/dbraw/zinc/79/99/40/914799940.db2.gz PIZNRHHNOBSQAI-UHFFFAOYSA-N -1 3 393.770 3.974 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)c(C)c1 ZINC000579127653 904365470 /nfs/dbraw/zinc/36/54/70/904365470.db2.gz HEMIVXLTBXBQNI-UHFFFAOYSA-N -1 3 391.489 3.645 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@@H]3CCCc4ccccc43)cc2)n1 ZINC000579187237 904408987 /nfs/dbraw/zinc/40/89/87/904408987.db2.gz BNYMGNSQVLMSNK-HXUWFJFHSA-N -1 3 389.455 3.778 20 0 GHADHM C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000579451481 904618862 /nfs/dbraw/zinc/61/88/62/904618862.db2.gz WTYCZWNRHLCZMZ-RRQGHBQHSA-N -1 3 375.494 3.654 20 0 GHADHM CN(Cc1ccc(F)nc1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000779156037 904809400 /nfs/dbraw/zinc/80/94/00/904809400.db2.gz OCPXOSUQERQAGO-UHFFFAOYSA-N -1 3 385.464 3.654 20 0 GHADHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(Br)cs1 ZINC000188771019 904976573 /nfs/dbraw/zinc/97/65/73/904976573.db2.gz LVBGMLLWCKMWBP-UHFFFAOYSA-N -1 3 394.153 3.668 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCCCC1CCCC1 ZINC000173771633 905120598 /nfs/dbraw/zinc/12/05/98/905120598.db2.gz YPWJNYKSDFUMBM-UHFFFAOYSA-N -1 3 382.508 3.550 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171914541 905144771 /nfs/dbraw/zinc/14/47/71/905144771.db2.gz DKPMIYKYHPUPCX-IETPZCKNSA-N -1 3 394.437 3.868 20 0 GHADHM COCCO[C@H]1CCCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC000901472940 921139908 /nfs/dbraw/zinc/13/99/08/921139908.db2.gz WUZLTJVCPHMOOY-NRFANRHFSA-N -1 3 399.487 3.591 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CSC(C)C)c2C)c(C)o1 ZINC000176178290 905775496 /nfs/dbraw/zinc/77/54/96/905775496.db2.gz JXCMDDFHBMWKNP-UHFFFAOYSA-N -1 3 396.534 3.698 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000901527311 921204692 /nfs/dbraw/zinc/20/46/92/921204692.db2.gz YLXZQOHXCDLWNQ-UGSOOPFHSA-N -1 3 390.281 3.526 20 0 GHADHM COc1ccc(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)c([O-])c1 ZINC000628415053 906116473 /nfs/dbraw/zinc/11/64/73/906116473.db2.gz DWWGVZBNCUTSJB-UHFFFAOYSA-N -1 3 399.491 3.926 20 0 GHADHM O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[N-]OCCC(F)(F)F ZINC000779326830 906190893 /nfs/dbraw/zinc/19/08/93/906190893.db2.gz WVEOJMSISJFUHU-QGZVFWFLSA-N -1 3 383.366 3.689 20 0 GHADHM COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000628677640 906245020 /nfs/dbraw/zinc/24/50/20/906245020.db2.gz UYMRIVFHZQRSIO-OAHLLOKOSA-N -1 3 392.249 3.846 20 0 GHADHM O=S(=O)(CCc1c(F)cccc1F)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000629290855 906680821 /nfs/dbraw/zinc/68/08/21/906680821.db2.gz VXSZNNUYTYHKJR-UHFFFAOYSA-N -1 3 378.400 3.968 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OCC)C2CC2)c1 ZINC000629297812 906688059 /nfs/dbraw/zinc/68/80/59/906688059.db2.gz ZMRVUGKUUHLJAR-INIZCTEOSA-N -1 3 388.917 3.635 20 0 GHADHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000191205383 906750046 /nfs/dbraw/zinc/75/00/46/906750046.db2.gz RZJAGLWYVKXITI-ZDUSSCGKSA-N -1 3 378.879 3.882 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1csc(C(F)(F)F)c1 ZINC000629427823 906784442 /nfs/dbraw/zinc/78/44/42/906784442.db2.gz XOJLTSGBQXFHOZ-UHFFFAOYSA-N -1 3 396.394 3.562 20 0 GHADHM O=S(=O)(NCc1ccccc1)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174250253 906900880 /nfs/dbraw/zinc/90/08/80/906900880.db2.gz MKYYAVXILKLSOS-UHFFFAOYSA-N -1 3 389.864 3.663 20 0 GHADHM CCCn1cc([N-]c2nc3c(Br)ccc(C(F)(F)F)n3n2)cn1 ZINC001174219089 906917863 /nfs/dbraw/zinc/91/78/63/906917863.db2.gz LMRYKYATGWSFKZ-UHFFFAOYSA-N -1 3 389.179 3.861 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630431289 907274798 /nfs/dbraw/zinc/27/47/98/907274798.db2.gz XMWOBNGLSJPXGS-CQSZACIVSA-N -1 3 377.510 3.766 20 0 GHADHM COc1cc(F)cc(OC)c1CNC[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000630450816 907285932 /nfs/dbraw/zinc/28/59/32/907285932.db2.gz KJMLCZPNWNIEAB-ZDUSSCGKSA-N -1 3 381.831 3.529 20 0 GHADHM CC(=O)Nc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000630456983 907290518 /nfs/dbraw/zinc/29/05/18/907290518.db2.gz QXPHLNVHOPHRJE-KRWDZBQOSA-N -1 3 380.366 3.969 20 0 GHADHM O=C([N-]c1cc(C2CCCC2)no1)c1nc2c(Br)cc(F)cn2n1 ZINC001174985555 907334696 /nfs/dbraw/zinc/33/46/96/907334696.db2.gz GZIUZZJUEUNUME-UHFFFAOYSA-N -1 3 394.204 3.529 20 0 GHADHM Cc1cc(C)n2ccc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])c2n1 ZINC001175136190 907397190 /nfs/dbraw/zinc/39/71/90/907397190.db2.gz DRPMTRGIVOCAPN-UHFFFAOYSA-N -1 3 381.432 3.864 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(C(=O)OC(C)C)cc1)c1ccccc1N ZINC001175258337 907471357 /nfs/dbraw/zinc/47/13/57/907471357.db2.gz DZSZKHFTVPKGLH-UHFFFAOYSA-N -1 3 387.461 3.613 20 0 GHADHM COC(=O)N=C([S-])N(c1ccc(C(=O)OC(C)C)cc1)c1ccccc1N ZINC001175258337 907471359 /nfs/dbraw/zinc/47/13/59/907471359.db2.gz DZSZKHFTVPKGLH-UHFFFAOYSA-N -1 3 387.461 3.613 20 0 GHADHM Brc1cnc(Nc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC001175425296 907544801 /nfs/dbraw/zinc/54/48/01/907544801.db2.gz QRWHEBOBCHXOLH-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1)C(=O)[O-] ZINC000901544159 921341672 /nfs/dbraw/zinc/34/16/72/921341672.db2.gz STHRSAIOWRUTDF-HNNXBMFYSA-N -1 3 399.491 3.644 20 0 GHADHM CCc1nnc([N-]c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)s1 ZINC001175813462 907770163 /nfs/dbraw/zinc/77/01/63/907770163.db2.gz OFRJPXDKNKECNA-UHFFFAOYSA-N -1 3 378.502 3.613 20 0 GHADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2ccccc2SC(F)F)cn1 ZINC000801651122 921358061 /nfs/dbraw/zinc/35/80/61/921358061.db2.gz KWQDZJPYARJYRN-UHFFFAOYSA-N -1 3 381.404 3.999 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000631882802 907866643 /nfs/dbraw/zinc/86/66/43/907866643.db2.gz MLIVLGUJJQPBJJ-GFCCVEGCSA-N -1 3 380.413 3.543 20 0 GHADHM Cn1nc2c(c1CN1CCC([C@@H](CC(=O)[O-])c3ccccc3)CC1)CCCC2 ZINC000901597219 921383805 /nfs/dbraw/zinc/38/38/05/921383805.db2.gz BHCAIUMPLVJKAT-FQEVSTJZSA-N -1 3 381.520 3.769 20 0 GHADHM CC(C)Oc1c(Cl)cc([N-]S(=O)(=O)c2ccc(N)c(N)c2)cc1Cl ZINC001176527222 908154468 /nfs/dbraw/zinc/15/44/68/908154468.db2.gz AGTDWUDNMFXUQC-UHFFFAOYSA-N -1 3 390.292 3.746 20 0 GHADHM CCN1CCN(Cc2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2)CC1 ZINC001176586903 908168758 /nfs/dbraw/zinc/16/87/58/908168758.db2.gz PCARJQJYKYTWLW-UHFFFAOYSA-N -1 3 379.504 3.684 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858787 908298724 /nfs/dbraw/zinc/29/87/24/908298724.db2.gz MDRAOEUOWKTIOF-KRWDZBQOSA-N -1 3 387.867 3.659 20 0 GHADHM Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000901626947 921411084 /nfs/dbraw/zinc/41/10/84/921411084.db2.gz IRMAHWNLVMASQU-HSZRJFAPSA-N -1 3 385.938 3.945 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC001177239304 908479108 /nfs/dbraw/zinc/47/91/08/908479108.db2.gz DPYOGCZLSXMWAR-CYBMUJFWSA-N -1 3 397.475 3.747 20 0 GHADHM CCCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[n-]1 ZINC000190411483 908482475 /nfs/dbraw/zinc/48/24/75/908482475.db2.gz QEPNRUZPMQVOLK-UHFFFAOYSA-N -1 3 390.530 3.983 20 0 GHADHM O=C([N-][C@]1(c2ccccc2Cl)CCCCC1=O)C(F)(F)c1ccccn1 ZINC001177302897 908504533 /nfs/dbraw/zinc/50/45/33/908504533.db2.gz HZVDQZQOHXSDMB-SFHVURJKSA-N -1 3 378.806 3.982 20 0 GHADHM C[C@@H](SC[C@@H](O)C(F)(F)F)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000191096346 908575558 /nfs/dbraw/zinc/57/55/58/908575558.db2.gz CPBJJFVFCUKKSC-GMSGAONNSA-N -1 3 390.408 3.962 20 0 GHADHM O=C(NCCc1nc(-c2ccccc2)c[nH]1)c1cc([O-])cc(Br)c1 ZINC001177509704 908608352 /nfs/dbraw/zinc/60/83/52/908608352.db2.gz DQMAXVOWRKGIJC-UHFFFAOYSA-N -1 3 386.249 3.517 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000366255835 921426406 /nfs/dbraw/zinc/42/64/06/921426406.db2.gz MDWUSWGVIZABTB-UHFFFAOYSA-N -1 3 379.431 3.894 20 0 GHADHM CCCCc1nc(NC(=O)c2ncccc2C(F)(F)F)c(C(=O)OCC)[n-]1 ZINC000191962330 908700474 /nfs/dbraw/zinc/70/04/74/908700474.db2.gz FXXYZRFOWVSHJH-UHFFFAOYSA-N -1 3 384.358 3.595 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)ccc1C ZINC000191984446 908703100 /nfs/dbraw/zinc/70/31/00/908703100.db2.gz BXPRLFRTSYFCLD-QFBILLFUSA-N -1 3 399.516 3.743 20 0 GHADHM CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001177875157 908770582 /nfs/dbraw/zinc/77/05/82/908770582.db2.gz MJACIRFWGGIFJH-RTBURBONSA-N -1 3 388.556 3.962 20 0 GHADHM CCOC(=O)c1c(C)[nH]cc1CCC(=O)Nc1cc(Br)ccc1[O-] ZINC001177831814 908771202 /nfs/dbraw/zinc/77/12/02/908771202.db2.gz DGFAHBFYRVCICR-UHFFFAOYSA-N -1 3 395.253 3.539 20 0 GHADHM COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)c4ccc(C)cc4[O-])CC3)c2c1 ZINC001178389186 909027261 /nfs/dbraw/zinc/02/72/61/909027261.db2.gz WIFBKOWWOMBFKZ-UHFFFAOYSA-N -1 3 392.455 3.988 20 0 GHADHM O=C(Cc1n[nH]c(Cc2ccccc2)n1)Nc1c(Cl)ccc([O-])c1Cl ZINC001178417629 909051254 /nfs/dbraw/zinc/05/12/54/909051254.db2.gz HBCACQPNWYJMFN-UHFFFAOYSA-N -1 3 377.231 3.589 20 0 GHADHM Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC001178549281 909103342 /nfs/dbraw/zinc/10/33/42/909103342.db2.gz GPNBFKIDLCGYBM-UHFFFAOYSA-N -1 3 391.295 3.509 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@]1(C)CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001179046334 909360667 /nfs/dbraw/zinc/36/06/67/909360667.db2.gz OMJPFRNPAGQEIL-GOSISDBHSA-N -1 3 398.406 3.568 20 0 GHADHM C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183908 909399613 /nfs/dbraw/zinc/39/96/13/909399613.db2.gz YNFJVKHVBFJYPH-QMMMGPOBSA-N -1 3 380.292 3.809 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000636112692 909432719 /nfs/dbraw/zinc/43/27/19/909432719.db2.gz ZLMUAZPYNGDCAD-UHFFFAOYSA-N -1 3 392.381 3.673 20 0 GHADHM O=c1[n-]c(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)nc2c1COCC2 ZINC001179418698 909530978 /nfs/dbraw/zinc/53/09/78/909530978.db2.gz AELOEVXKQLUKFC-UHFFFAOYSA-N -1 3 399.397 3.615 20 0 GHADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636320741 909542164 /nfs/dbraw/zinc/54/21/64/909542164.db2.gz JJTWXPNXADQTQN-CQSZACIVSA-N -1 3 381.476 3.708 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](c3ccccc3)CC2(C)C)c([O-])c1 ZINC001179527203 909562841 /nfs/dbraw/zinc/56/28/41/909562841.db2.gz QOVOKKWDYXOAFF-GOSISDBHSA-N -1 3 380.488 3.615 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccnc3ccncc32)CC1 ZINC000267973106 909716122 /nfs/dbraw/zinc/71/61/22/909716122.db2.gz NNNWKMSKVJSEED-UHFFFAOYSA-N -1 3 382.851 3.844 20 0 GHADHM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268164460 909784004 /nfs/dbraw/zinc/78/40/04/909784004.db2.gz IULFLVNATWQJQY-CQSZACIVSA-N -1 3 387.480 3.754 20 0 GHADHM CCO[C@@H]1C[C@@H](N[C@@H](C(=O)[O-])c2ccccc2F)[C@H]1Sc1ccccc1 ZINC000901750238 921533979 /nfs/dbraw/zinc/53/39/79/921533979.db2.gz RASMDZDAFWUBLH-NCXUSEDFSA-N -1 3 375.465 3.879 20 0 GHADHM CC(C)O[C@H](COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000795370846 910093921 /nfs/dbraw/zinc/09/39/21/910093921.db2.gz MULCICDOZYVXFD-GOSISDBHSA-N -1 3 395.452 3.520 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c1Cl ZINC000269153309 910163252 /nfs/dbraw/zinc/16/32/52/910163252.db2.gz SZCUSZLDHDCKSS-XHDPSFHLSA-N -1 3 396.361 3.635 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1cc(Cl)ccc1Cl ZINC000269307382 910209216 /nfs/dbraw/zinc/20/92/16/910209216.db2.gz DXQXJKNXGLNYQK-LBPRGKRZSA-N -1 3 396.361 3.717 20 0 GHADHM Cn1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(-c2cc3ccccc3o2)n1 ZINC000901790628 921567990 /nfs/dbraw/zinc/56/79/90/921567990.db2.gz YNKCJZOWNUKWKF-SFHVURJKSA-N -1 3 393.365 3.672 20 0 GHADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001180832178 910368193 /nfs/dbraw/zinc/36/81/93/910368193.db2.gz DBCYHLIEBUBYCT-ZDUSSCGKSA-N -1 3 398.536 3.573 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n[n-]2)cc1 ZINC001180844031 910374834 /nfs/dbraw/zinc/37/48/34/910374834.db2.gz SANIMYPBGCQMRX-FQEVSTJZSA-N -1 3 382.489 3.642 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3csc(CCC(F)(F)F)n3)n[n-]2)o1 ZINC000639965761 910755647 /nfs/dbraw/zinc/75/56/47/910755647.db2.gz WFXLVPSQUJGGOV-UHFFFAOYSA-N -1 3 385.371 3.506 20 0 GHADHM O=c1nc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000640101272 910827646 /nfs/dbraw/zinc/82/76/46/910827646.db2.gz ZSHSWTMSOWUVQW-QEJZJMRPSA-N -1 3 385.489 3.782 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271434363 910903547 /nfs/dbraw/zinc/90/35/47/910903547.db2.gz NIJKOLVKYMKUMH-SNVBAGLBSA-N -1 3 398.244 3.662 20 0 GHADHM O=C(Cc1cccc(F)c1C(F)(F)F)Nc1ncc([O-])cc1Br ZINC001181672858 910915918 /nfs/dbraw/zinc/91/59/18/910915918.db2.gz JSKUQQBMPHUQFA-UHFFFAOYSA-N -1 3 393.134 3.889 20 0 GHADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296057 910957315 /nfs/dbraw/zinc/95/73/15/910957315.db2.gz JGAMDMYQJVKPET-UHFFFAOYSA-N -1 3 399.175 3.977 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCc1ccc(C(F)F)cc1 ZINC000640297482 910959242 /nfs/dbraw/zinc/95/92/42/910959242.db2.gz WJVLIEJOVJLHBV-UHFFFAOYSA-N -1 3 382.720 3.780 20 0 GHADHM CC[C@H](CSC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000271695878 911017993 /nfs/dbraw/zinc/01/79/93/911017993.db2.gz GBSUUQULLVRJSO-CQSZACIVSA-N -1 3 399.944 3.547 20 0 GHADHM [O-]c1ccc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(F)c1F ZINC001181914674 911074889 /nfs/dbraw/zinc/07/48/89/911074889.db2.gz YQBNZQRWVTYWFZ-CYBMUJFWSA-N -1 3 391.368 3.917 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000640646285 911097009 /nfs/dbraw/zinc/09/70/09/911097009.db2.gz KRWAEEVVDIOURL-UHFFFAOYSA-N -1 3 381.657 3.616 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc([C@@H]2CN(C3CC3)CCO2)no1 ZINC000273999651 911169573 /nfs/dbraw/zinc/16/95/73/911169573.db2.gz YAURZFOCSXGZQF-FQEVSTJZSA-N -1 3 393.443 3.557 20 0 GHADHM COC(C)(C)c1cn(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)nn1 ZINC000640858019 911222256 /nfs/dbraw/zinc/22/22/56/911222256.db2.gz IETOACNOVINTOP-UHFFFAOYSA-N -1 3 381.461 3.585 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N=S3(=O)CCCC3)cc2)c(C)c1 ZINC000641691347 911484610 /nfs/dbraw/zinc/48/46/10/911484610.db2.gz FABVKTFBWWKRFY-UHFFFAOYSA-N -1 3 394.518 3.698 20 0 GHADHM [O-]c1cccc(CNc2nn(CC(F)(F)F)cc2Cl)c1Br ZINC000641764662 911509222 /nfs/dbraw/zinc/50/92/22/911509222.db2.gz JTXPHXMMJKKXJR-UHFFFAOYSA-N -1 3 384.583 3.601 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cc(Cl)ccc2OCC)n[n-]1 ZINC001182653560 911954126 /nfs/dbraw/zinc/95/41/26/911954126.db2.gz JRTFIJHYIVHZHY-HNNXBMFYSA-N -1 3 394.903 3.911 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cc(Cl)ccc2OCC)[n-]1 ZINC001182653560 911954139 /nfs/dbraw/zinc/95/41/39/911954139.db2.gz JRTFIJHYIVHZHY-HNNXBMFYSA-N -1 3 394.903 3.911 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cc(Cl)ccc2OCC)n1 ZINC001182653560 911954150 /nfs/dbraw/zinc/95/41/50/911954150.db2.gz JRTFIJHYIVHZHY-HNNXBMFYSA-N -1 3 394.903 3.911 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cnc([C@H]3CCCO3)s2)C[C@H]1c1ccc(Cl)cc1 ZINC000901897412 921713668 /nfs/dbraw/zinc/71/36/68/921713668.db2.gz DJSHKOBQZJPAAO-GVDBMIGSSA-N -1 3 392.908 3.948 20 0 GHADHM O=C(c1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001186998698 914966942 /nfs/dbraw/zinc/96/69/42/914966942.db2.gz GPLKQFBDPLMZSZ-ZDUSSCGKSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(c1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001186998698 914966954 /nfs/dbraw/zinc/96/69/54/914966954.db2.gz GPLKQFBDPLMZSZ-ZDUSSCGKSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1CC=C[C@H]2CCN(Cc3ccccc3)C(=O)[C@H]21 ZINC001187070390 915001797 /nfs/dbraw/zinc/00/17/97/915001797.db2.gz DFZGKGRABZMGFP-DJPFJPOOSA-N -1 3 394.446 3.711 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC001187242673 915108998 /nfs/dbraw/zinc/10/89/98/915108998.db2.gz YQYGFYAZIPYMMO-AWEZNQCLSA-N -1 3 399.862 3.968 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c1Cl ZINC001187248887 915158745 /nfs/dbraw/zinc/15/87/45/915158745.db2.gz OCGZSMYIARZMKO-CQSZACIVSA-N -1 3 380.337 3.911 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1cnc(-c2ccccn2)s1 ZINC000647770374 915376638 /nfs/dbraw/zinc/37/66/38/915376638.db2.gz MEGZIXOHRAWGBS-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(NC1(c2ccc(F)cc2)CCC(F)(F)CC1)c1nn[n-]c1C(F)(F)F ZINC001187773409 915485819 /nfs/dbraw/zinc/48/58/19/915485819.db2.gz FYFKYPKDPUKJHC-UHFFFAOYSA-N -1 3 392.303 3.797 20 0 GHADHM O=C(NC1(c2ccc(F)cc2)CCC(F)(F)CC1)c1[n-]nnc1C(F)(F)F ZINC001187773409 915485824 /nfs/dbraw/zinc/48/58/24/915485824.db2.gz FYFKYPKDPUKJHC-UHFFFAOYSA-N -1 3 392.303 3.797 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccnnc2Cl)cc1 ZINC001187808200 915526688 /nfs/dbraw/zinc/52/66/88/915526688.db2.gz FSCGAJTWWNOHRM-UHFFFAOYSA-N -1 3 391.836 3.732 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000648424366 915697260 /nfs/dbraw/zinc/69/72/60/915697260.db2.gz YPIPFGOOQYVPMX-DTWKUNHWSA-N -1 3 382.224 3.641 20 0 GHADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC(C)(C)C ZINC001188103391 915757205 /nfs/dbraw/zinc/75/72/05/915757205.db2.gz NLBUOHUYFFBBQW-CYBMUJFWSA-N -1 3 379.881 3.514 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCC1 ZINC001188222268 915842056 /nfs/dbraw/zinc/84/20/56/915842056.db2.gz IVWMNXPBTAOQPZ-UHFFFAOYSA-N -1 3 381.723 3.746 20 0 GHADHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(F)cc1F ZINC001188223081 915843415 /nfs/dbraw/zinc/84/34/15/915843415.db2.gz SIJHWNIRCINUFR-LBPRGKRZSA-N -1 3 397.369 3.772 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188448034 915973336 /nfs/dbraw/zinc/97/33/36/915973336.db2.gz LQZFRXKDQAIBCS-UHFFFAOYSA-N -1 3 375.396 3.925 20 0 GHADHM CCCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CCc2ncsc2C1 ZINC000649161854 916045591 /nfs/dbraw/zinc/04/55/91/916045591.db2.gz HVTZADRSZHNDHO-AWEZNQCLSA-N -1 3 390.505 3.666 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2OC(F)F)s1 ZINC001188758990 916185905 /nfs/dbraw/zinc/18/59/05/916185905.db2.gz UBFNRNBPLHXQTL-MRVPVSSYSA-N -1 3 396.868 4.000 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cn(-c3cccc(C)c3)nc2C)cc1 ZINC000649505272 916196548 /nfs/dbraw/zinc/19/65/48/916196548.db2.gz BRWXTZJRIWULLS-NRFANRHFSA-N -1 3 379.460 3.803 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1ccc3oc4ccccc4c3c1)C(=O)N2 ZINC001188826671 916234128 /nfs/dbraw/zinc/23/41/28/916234128.db2.gz FASBMAPPMWEAJR-FQEVSTJZSA-N -1 3 392.436 3.866 20 0 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COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2F)c1 ZINC001189586778 916759601 /nfs/dbraw/zinc/75/96/01/916759601.db2.gz JOKQVEZMPFMLEM-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(C4CCOCC4)s3)cc12 ZINC000294518544 916842859 /nfs/dbraw/zinc/84/28/59/916842859.db2.gz YRIPFZGJAZVIFY-UHFFFAOYSA-N -1 3 391.522 3.756 20 0 GHADHM O=S(=O)([N-]C1CCC(OC(F)F)CC1)c1csc(-c2ccccc2)n1 ZINC000650294891 916863125 /nfs/dbraw/zinc/86/31/25/916863125.db2.gz FNMSVFDDPLMXHI-UHFFFAOYSA-N -1 3 388.461 3.639 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001189763597 916898518 /nfs/dbraw/zinc/89/85/18/916898518.db2.gz TUTLVLQSYUYXJT-UHFFFAOYSA-N -1 3 391.349 3.857 20 0 GHADHM Cc1ccc([C@]2(C)CN(C(=O)c3cccc(OC(F)(F)F)c3[O-])CCO2)cc1 ZINC001189763776 916898774 /nfs/dbraw/zinc/89/87/74/916898774.db2.gz ZHHPOGCMWAGJNL-IBGZPJMESA-N -1 3 395.377 3.987 20 0 GHADHM CCc1cccc(CC)c1NC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001189764081 916900182 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O=S(=O)([N-]c1ccc(CO)cc1Cl)c1ccc(F)cc1Br ZINC001191379500 917941413 /nfs/dbraw/zinc/94/14/13/917941413.db2.gz RASIPUPLZICGEB-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1CCCC1)c1cccc2ccccc21 ZINC001191542950 918051821 /nfs/dbraw/zinc/05/18/21/918051821.db2.gz PFAVPFCMPJBJLE-LJQANCHMSA-N -1 3 375.490 3.554 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccn(C(C)C)c(=O)c2)c1Cl ZINC001191776689 918180037 /nfs/dbraw/zinc/18/00/37/918180037.db2.gz JLBZTHAHCFMOIE-UHFFFAOYSA-N -1 3 375.277 3.845 20 0 GHADHM COc1cc(OC)c(C2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c(OC)c1 ZINC000653361961 918230131 /nfs/dbraw/zinc/23/01/31/918230131.db2.gz PWXUMSIFTZDZMT-UHFFFAOYSA-N -1 3 385.460 3.790 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc2O1)c1cccc(Cl)c1Cl ZINC001191802019 918230202 /nfs/dbraw/zinc/23/02/02/918230202.db2.gz RXZFCKRDBUCLCR-SNVBAGLBSA-N -1 3 390.313 3.825 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C1CCC(F)(F)CC1 ZINC001191887008 918280624 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CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800264169 919805165 /nfs/dbraw/zinc/80/51/65/919805165.db2.gz XKSRCCGYMKAEBQ-RYUDHWBXSA-N -1 3 384.411 3.795 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800264169 919805173 /nfs/dbraw/zinc/80/51/73/919805173.db2.gz XKSRCCGYMKAEBQ-RYUDHWBXSA-N -1 3 384.411 3.795 20 0 GHADHM O=C([O-])C[C@H]1COCC[C@H]1NCc1sc(Sc2ccccc2)nc1Cl ZINC000900074559 919807023 /nfs/dbraw/zinc/80/70/23/919807023.db2.gz VOPNBLWUOUVZSR-WCQYABFASA-N -1 3 398.937 3.917 20 0 GHADHM COc1cc(C[NH2+]C[C@H](CC2CCCC2)C(=O)[O-])cc(Br)c1[O-] ZINC000900083722 919822710 /nfs/dbraw/zinc/82/27/10/919822710.db2.gz LOKGORYEXAQKFP-ZDUSSCGKSA-N -1 3 386.286 3.534 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1OC ZINC000364686497 919840264 /nfs/dbraw/zinc/84/02/64/919840264.db2.gz PGLVIKOIEACFOU-KUHUBIRLSA-N -1 3 395.525 3.501 20 0 GHADHM CCNc1nc(C)c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)s1 ZINC000900236833 920044619 /nfs/dbraw/zinc/04/46/19/920044619.db2.gz CCPCDYHPLHYKMT-UHFFFAOYSA-N -1 3 383.477 3.861 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3[n-]nnc32)cc1)c1ccc(F)cc1 ZINC000800480265 920164874 /nfs/dbraw/zinc/16/48/74/920164874.db2.gz SGCYQDDGQSNQBD-UHFFFAOYSA-N -1 3 394.337 3.708 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3nn[n-]c32)cc1)c1ccc(F)cc1 ZINC000800480265 920164899 /nfs/dbraw/zinc/16/48/99/920164899.db2.gz SGCYQDDGQSNQBD-UHFFFAOYSA-N -1 3 394.337 3.708 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3n[n-]nc32)cc1)c1ccc(F)cc1 ZINC000800480265 920164923 /nfs/dbraw/zinc/16/49/23/920164923.db2.gz SGCYQDDGQSNQBD-UHFFFAOYSA-N -1 3 394.337 3.708 20 0 GHADHM O=C([N-]c1cc(Cl)ccc1OC[C@H]1CCCO1)c1nnc(-c2ccco2)o1 ZINC000900347557 920230738 /nfs/dbraw/zinc/23/07/38/920230738.db2.gz WWBCTJPHDNHZED-GFCCVEGCSA-N -1 3 389.795 3.793 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)cc1 ZINC000298721882 920849129 /nfs/dbraw/zinc/84/91/29/920849129.db2.gz JCHIUMLKXRGXKN-GFCCVEGCSA-N -1 3 388.514 3.804 20 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GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)[C@H](C)c2ccccc2)c1Cl ZINC000676856502 924113317 /nfs/dbraw/zinc/11/33/17/924113317.db2.gz FUDOXWHHEPVYCY-IUODEOHRSA-N -1 3 388.316 3.745 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000826772660 924192395 /nfs/dbraw/zinc/19/23/95/924192395.db2.gz YESGEJASBQHVBV-IBGZPJMESA-N -1 3 381.382 3.569 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H]1C1CC1 ZINC000370752482 924286503 /nfs/dbraw/zinc/28/65/03/924286503.db2.gz FSMSOUWTLYTUAW-LJQANCHMSA-N -1 3 388.464 3.641 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000677288242 924313670 /nfs/dbraw/zinc/31/36/70/924313670.db2.gz BBJHYGIWQFWAHR-INIZCTEOSA-N -1 3 377.444 3.852 20 0 GHADHM O=c1[n-]c(SCCOCC2CC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000680500701 925496785 /nfs/dbraw/zinc/49/67/85/925496785.db2.gz LDFLYEUNEIPCAS-UHFFFAOYSA-N -1 3 376.869 3.693 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc([C@H]3CCCS3)no2)c1 ZINC000680763643 925597507 /nfs/dbraw/zinc/59/75/07/925597507.db2.gz TZHDVPKRQGMSGR-CQSZACIVSA-N -1 3 394.453 3.573 20 0 GHADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681058524 925711584 /nfs/dbraw/zinc/71/15/84/925711584.db2.gz QGHNSPNWAXRBMT-SFHVURJKSA-N -1 3 394.450 3.736 20 0 GHADHM CN1CC[C@H](CNC(=O)c2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000681062577 925712470 /nfs/dbraw/zinc/71/24/70/925712470.db2.gz IMBBNTLNFKISER-ACJLOTCBSA-N -1 3 380.822 3.747 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1scnc1C(F)(F)F ZINC001137446403 925824579 /nfs/dbraw/zinc/82/45/79/925824579.db2.gz TXYHUHWENVHBBV-UHFFFAOYSA-N -1 3 381.173 3.560 20 0 GHADHM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001137459081 925908896 /nfs/dbraw/zinc/90/88/96/925908896.db2.gz GSXYXHQQVSRMKH-SNVBAGLBSA-N -1 3 399.422 3.777 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)c(C)s1 ZINC000411102897 926072055 /nfs/dbraw/zinc/07/20/55/926072055.db2.gz OXGQVCXVZDFPQZ-UHFFFAOYSA-N -1 3 381.504 3.833 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)cc(Br)c2)c(=O)[n-]1 ZINC000411098480 926077191 /nfs/dbraw/zinc/07/71/91/926077191.db2.gz LEPQYXSXAKBJRH-UHFFFAOYSA-N -1 3 384.661 3.786 20 0 GHADHM Cn1ccnc1C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000682507702 926145783 /nfs/dbraw/zinc/14/57/83/926145783.db2.gz BQLNZZTTXFJKDX-LJQANCHMSA-N -1 3 381.451 3.688 20 0 GHADHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(C)c(Cl)s3)c2c1 ZINC000682730317 926222310 /nfs/dbraw/zinc/22/23/10/926222310.db2.gz XMBXSNXYXAPKEQ-UHFFFAOYSA-N -1 3 384.910 3.721 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000827911849 926257322 /nfs/dbraw/zinc/25/73/22/926257322.db2.gz OZAIDWROQNBRPW-LJQANCHMSA-N -1 3 393.409 3.898 20 0 GHADHM CCOc1cc(CN(C)C(=O)c2ccc(C(C)=O)c([O-])c2)ccc1OC(F)F ZINC000411372226 926341766 /nfs/dbraw/zinc/34/17/66/926341766.db2.gz BTKZYLRGLOEKLQ-UHFFFAOYSA-N -1 3 393.386 3.867 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000726984127 926973276 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3.931 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000466983988 928565518 /nfs/dbraw/zinc/56/55/18/928565518.db2.gz XGEYFTFOLYGLBT-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000466983988 928565524 /nfs/dbraw/zinc/56/55/24/928565524.db2.gz XGEYFTFOLYGLBT-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CCOC(=O)c1sc2[n-]c(-c3ccc(OC(F)F)cn3)nc(=O)c2c1C ZINC000467165444 928776447 /nfs/dbraw/zinc/77/64/47/928776447.db2.gz MRRNJBKBGGCBHG-UHFFFAOYSA-N -1 3 381.360 3.545 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1ccc(OCC(F)F)cc1 ZINC000544095278 928801381 /nfs/dbraw/zinc/80/13/81/928801381.db2.gz SCLORHKRIFYFNA-UHFFFAOYSA-N -1 3 391.399 3.588 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000467799810 929436879 /nfs/dbraw/zinc/43/68/79/929436879.db2.gz QMFLYAOKZPCKDJ-QAPCUYQASA-N -1 3 383.872 3.986 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000467801019 929438048 /nfs/dbraw/zinc/43/80/48/929438048.db2.gz PYCFZBQAXNRMGH-FUHWJXTLSA-N -1 3 385.407 3.611 20 0 GHADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000544727245 929505118 /nfs/dbraw/zinc/50/51/18/929505118.db2.gz DXTWBOCPBBNDMM-OAHLLOKOSA-N -1 3 375.490 3.962 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC000469181590 929661403 /nfs/dbraw/zinc/66/14/03/929661403.db2.gz QPLYOYITMHVPGJ-SFHVURJKSA-N -1 3 393.480 3.637 20 0 GHADHM CC(C)n1ccc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000757725359 929783809 /nfs/dbraw/zinc/78/38/09/929783809.db2.gz JPDIUPNIPUZOJX-UHFFFAOYSA-N -1 3 389.253 3.974 20 0 GHADHM CCOC(=O)CCCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757726924 929784490 /nfs/dbraw/zinc/78/44/90/929784490.db2.gz QAUMUPQVNBVAKQ-UHFFFAOYSA-N -1 3 395.253 3.729 20 0 GHADHM Cc1ccccc1C(NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1C ZINC000546267938 930006061 /nfs/dbraw/zinc/00/60/61/930006061.db2.gz QIXKULBJENYDRM-UHFFFAOYSA-N -1 3 388.467 3.645 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)nnn1-c1ccccc1 ZINC000469881403 930232993 /nfs/dbraw/zinc/23/29/93/930232993.db2.gz MIJIDLGQQVTIDS-UHFFFAOYSA-N -1 3 394.435 3.794 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000759098298 930273058 /nfs/dbraw/zinc/27/30/58/930273058.db2.gz AAFJIDMYHOGNHC-HOCLYGCPSA-N -1 3 376.497 3.720 20 0 GHADHM C[C@H](Cc1ccccc1Br)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000470171300 930427994 /nfs/dbraw/zinc/42/79/94/930427994.db2.gz HYISARCGNNSCBU-LLVKDONJSA-N -1 3 381.245 3.724 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000759707354 930460239 /nfs/dbraw/zinc/46/02/39/930460239.db2.gz QIODMTGDDWVELX-NWDGAFQWSA-N -1 3 399.285 3.787 20 0 GHADHM COc1ccc([C@@H](NCC(=O)[N-]OCc2ccccc2)c2ccccc2)cc1 ZINC000780929972 930642884 /nfs/dbraw/zinc/64/28/84/930642884.db2.gz IFUDSVSQQSOJNY-QHCPKHFHSA-N -1 3 376.456 3.622 20 0 GHADHM CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000780975546 930657910 /nfs/dbraw/zinc/65/79/10/930657910.db2.gz NJKSNFSFLKUIBW-VBKZILBWSA-N -1 3 396.459 3.568 20 0 GHADHM COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000470540698 930696975 /nfs/dbraw/zinc/69/69/75/930696975.db2.gz BLKPLFVPWHHBGX-UHFFFAOYSA-N -1 3 396.447 3.740 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1 ZINC000470602283 930744709 /nfs/dbraw/zinc/74/47/09/930744709.db2.gz OJWPYQRATZLCPU-LBPRGKRZSA-N -1 3 392.864 3.700 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CCOCC1 ZINC000470613200 930751062 /nfs/dbraw/zinc/75/10/62/930751062.db2.gz VEFPUSLZXKEVPK-UHFFFAOYSA-N -1 3 389.926 3.585 20 0 GHADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nnc(-c4ccco4)s3)sc21 ZINC000470725727 930858830 /nfs/dbraw/zinc/85/88/30/930858830.db2.gz DAFIEOXULMOLAO-UHFFFAOYSA-N -1 3 381.389 3.936 20 0 GHADHM COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(Cl)c1[O-] ZINC000547300021 930893655 /nfs/dbraw/zinc/89/36/55/930893655.db2.gz QAAGLMRHOCUEBC-OAHLLOKOSA-N -1 3 378.856 3.604 20 0 GHADHM CCOC(=O)[C@@H]1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)c2ccccc21 ZINC000781952686 931040901 /nfs/dbraw/zinc/04/09/01/931040901.db2.gz UBTXUNXUPVHKIP-GOSISDBHSA-N -1 3 393.439 3.864 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3ncc(-c4cccnc4)s3)no2)c1 ZINC000557390863 931396632 /nfs/dbraw/zinc/39/66/32/931396632.db2.gz OOWCQSVPOXCJPM-UHFFFAOYSA-N -1 3 379.401 3.516 20 0 GHADHM Cc1noc(C)c1C(=O)[N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000557518076 931514366 /nfs/dbraw/zinc/51/43/66/931514366.db2.gz KFVSNJOTPDGAEK-UHFFFAOYSA-N -1 3 384.339 3.961 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000783645373 931605440 /nfs/dbraw/zinc/60/54/40/931605440.db2.gz UJAPRDLJNUPUSU-UHFFFAOYSA-N -1 3 379.441 3.842 20 0 GHADHM Cc1nc(-c2ccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)cc2)cs1 ZINC000783680406 931615161 /nfs/dbraw/zinc/61/51/61/931615161.db2.gz RYVZQHKRIPHZQC-WQRHYEAKSA-N -1 3 375.453 3.519 20 0 GHADHM O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000777566894 931837172 /nfs/dbraw/zinc/83/71/72/931837172.db2.gz OWAUSYHFFZIJBN-IBGZPJMESA-N -1 3 383.419 3.819 20 0 GHADHM CSC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000558134950 931853494 /nfs/dbraw/zinc/85/34/94/931853494.db2.gz HKXMTKVAJQXKHX-NSHDSACASA-N -1 3 395.322 3.506 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000784893628 932019824 /nfs/dbraw/zinc/01/98/24/932019824.db2.gz NWSRMKDVBBXZTI-CYBMUJFWSA-N -1 3 380.437 3.562 20 0 GHADHM CC(C)(C(=O)NCc1ncccc1[O-])c1csc(-c2cc(F)ccc2F)n1 ZINC000558567603 932078573 /nfs/dbraw/zinc/07/85/73/932078573.db2.gz YQCJERAPWMWGIX-UHFFFAOYSA-N -1 3 389.427 3.783 20 0 GHADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000797449733 932288681 /nfs/dbraw/zinc/28/86/81/932288681.db2.gz OWCJEQDDGGQOEV-ZJUUUORDSA-N -1 3 384.748 3.665 20 0 GHADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000559106452 932440031 /nfs/dbraw/zinc/44/00/31/932440031.db2.gz SFRKMFZWEACXAC-UHFFFAOYSA-N -1 3 398.912 3.856 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C(F)=C/C2CCCCC2)cc1OC ZINC000798163914 932549365 /nfs/dbraw/zinc/54/93/65/932549365.db2.gz ONNUEKJAKKTMDF-PTNGSMBKSA-N -1 3 384.473 3.829 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000799095282 932877126 /nfs/dbraw/zinc/87/71/26/932877126.db2.gz GFSKZIYJXWLKKV-OAHLLOKOSA-N -1 3 397.500 3.769 20 0 GHADHM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC000559982285 932998408 /nfs/dbraw/zinc/99/84/08/932998408.db2.gz NEIBVHJLEQBGIL-AWEZNQCLSA-N -1 3 399.438 3.584 20 0 GHADHM COc1cc([N-]S(=O)(=O)/C=C\c2ccccc2F)c(OC)c(C)c1OC ZINC000799925830 933172291 /nfs/dbraw/zinc/17/22/91/933172291.db2.gz UBOHUJKSKQNBHM-KTKRTIGZSA-N -1 3 381.425 3.573 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1nc(-c2ccncc2)no1 ZINC000560270959 933175284 /nfs/dbraw/zinc/17/52/84/933175284.db2.gz HYVMCQZJXKYIPH-GOSISDBHSA-N -1 3 398.488 3.685 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001115842027 933218663 /nfs/dbraw/zinc/21/86/63/933218663.db2.gz WRDGMRITTMHDPR-UHFFFAOYSA-N -1 3 387.774 3.777 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001115842027 933218665 /nfs/dbraw/zinc/21/86/65/933218665.db2.gz WRDGMRITTMHDPR-UHFFFAOYSA-N -1 3 387.774 3.777 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)n1 ZINC000560406250 933243772 /nfs/dbraw/zinc/24/37/72/933243772.db2.gz ZTUKHXOENFUAIY-UHFFFAOYSA-N -1 3 377.235 3.944 20 0 GHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N=c1[nH][n-]cc1Br ZINC000560542818 933330250 /nfs/dbraw/zinc/33/02/50/933330250.db2.gz WIFSFZXGUYKQAL-UHFFFAOYSA-N -1 3 397.685 3.932 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Cn3ccc4ccccc43)nc21 ZINC000560598135 933372883 /nfs/dbraw/zinc/37/28/83/933372883.db2.gz BECUMFRUHMUXKR-ZDUSSCGKSA-N -1 3 376.416 3.579 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000560697222 933469759 /nfs/dbraw/zinc/46/97/59/933469759.db2.gz JYDDUPIAUPOKPZ-QAPCUYQASA-N -1 3 383.448 3.640 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC001116313538 933473960 /nfs/dbraw/zinc/47/39/60/933473960.db2.gz WINPSFSYSTZNRU-UHFFFAOYSA-N -1 3 388.471 3.676 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC001116313060 933474135 /nfs/dbraw/zinc/47/41/35/933474135.db2.gz NECOUFQWEVVKRD-KRWDZBQOSA-N -1 3 380.460 3.621 20 0 GHADHM CC1(C)Cc2nc([N-]C(=O)c3scnc3Br)sc2C(=O)C1 ZINC000777794819 933514275 /nfs/dbraw/zinc/51/42/75/933514275.db2.gz AHTVNAMCVVBTPA-UHFFFAOYSA-N -1 3 386.296 3.770 20 0 GHADHM COc1cccc2cc(C[N-]S(=O)(=O)c3cnc(Cl)cc3Cl)oc21 ZINC001116462415 933573900 /nfs/dbraw/zinc/57/39/00/933573900.db2.gz UVRQWSWHGXIHGG-UHFFFAOYSA-N -1 3 387.244 3.622 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C)c1ccc(OC)c(Cl)c1 ZINC001116630302 933673672 /nfs/dbraw/zinc/67/36/72/933673672.db2.gz BWVXLQCQNJGIAJ-MRXNPFEDSA-N -1 3 397.805 3.779 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001116702518 933712496 /nfs/dbraw/zinc/71/24/96/933712496.db2.gz HOEHDNLXYWWSAR-UHFFFAOYSA-N -1 3 380.897 3.745 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561080188 933843498 /nfs/dbraw/zinc/84/34/98/933843498.db2.gz ZDNLQLSXFNJISZ-UHFFFAOYSA-N -1 3 379.391 3.921 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CC34CC4)c2)cc1 ZINC000561088240 933851894 /nfs/dbraw/zinc/85/18/94/933851894.db2.gz OQFJIYVQTQYFEX-MRXNPFEDSA-N -1 3 384.501 3.634 20 0 GHADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001117489234 933944252 /nfs/dbraw/zinc/94/42/52/933944252.db2.gz MHNLOEDJMCHOFH-UONOGXRCSA-N -1 3 399.532 3.553 20 0 GHADHM O=C(N[C@@H](CC(=O)N1CCC[C@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC001120829646 934522238 /nfs/dbraw/zinc/52/22/38/934522238.db2.gz NVLGWBMNVFBYJN-ROUUACIJSA-N -1 3 388.414 3.510 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3c4ccc(F)cc4O[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000562105236 934700573 /nfs/dbraw/zinc/70/05/73/934700573.db2.gz LNSVPQLPFJJMLL-GIPWTMENSA-N -1 3 394.406 3.940 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1[O-] ZINC000562332792 934826242 /nfs/dbraw/zinc/82/62/42/934826242.db2.gz YVTXQXHIYDKGSO-ZDUSSCGKSA-N -1 3 383.370 3.810 20 0 GHADHM Cn1ccc(C2CCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CC2)n1 ZINC000932142705 934833319 /nfs/dbraw/zinc/83/33/19/934833319.db2.gz HVEARBDSCKZNAE-UHFFFAOYSA-N -1 3 395.488 3.770 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001122156492 934834666 /nfs/dbraw/zinc/83/46/66/934834666.db2.gz OEVJQMOTJJSKDR-GOSISDBHSA-N -1 3 392.507 3.670 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000562389251 934847335 /nfs/dbraw/zinc/84/73/35/934847335.db2.gz DDQBBAGLAINSON-YLJYHZDGSA-N -1 3 386.536 3.834 20 0 GHADHM CCCCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372715 935172934 /nfs/dbraw/zinc/17/29/34/935172934.db2.gz RWKMCFYXFDLFKO-DEOSSOPVSA-N -1 3 394.515 3.878 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC001123687640 935252840 /nfs/dbraw/zinc/25/28/40/935252840.db2.gz PHBNHZKFNIXUJS-FXAWDEMLSA-N -1 3 398.434 3.648 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1c[n-]c2ccccc2c1=O ZINC001124577110 935418491 /nfs/dbraw/zinc/41/84/91/935418491.db2.gz KLQOWIFXYMIVEL-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM Cn1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nc2c1cccc2F ZINC001137542388 935571202 /nfs/dbraw/zinc/57/12/02/935571202.db2.gz XTNITEDPKXWKMR-UHFFFAOYSA-N -1 3 391.428 3.768 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Nc2nccs2)c1 ZINC000828209876 935593415 /nfs/dbraw/zinc/59/34/15/935593415.db2.gz MQISHRWHECVANY-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM Cc1cccc(OCCCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001137599079 935613650 /nfs/dbraw/zinc/61/36/50/935613650.db2.gz ZZIOQINIDDQDSH-MRXNPFEDSA-N -1 3 380.485 3.505 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)nc2)n1 ZINC000828590172 935670515 /nfs/dbraw/zinc/67/05/15/935670515.db2.gz NIBRDZBGJDSXBV-OLZOCXBDSA-N -1 3 387.484 3.520 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000829174848 935776477 /nfs/dbraw/zinc/77/64/77/935776477.db2.gz JKDKLTOTUUCVCQ-CYBMUJFWSA-N -1 3 380.510 3.586 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000829436477 935809722 /nfs/dbraw/zinc/80/97/22/935809722.db2.gz RFXSNRYXVZPUKO-OAHLLOKOSA-N -1 3 378.476 3.925 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Br)c(C)s2)c([O-])c1 ZINC001137937938 935880319 /nfs/dbraw/zinc/88/03/19/935880319.db2.gz OVARNLSBCVVQOR-UHFFFAOYSA-N -1 3 384.251 3.954 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000830051259 935894348 /nfs/dbraw/zinc/89/43/48/935894348.db2.gz DDAXWQTXQFZLSS-ZIAGYGMSSA-N -1 3 394.537 3.880 20 0 GHADHM COc1c(N)c(C(=O)Nc2cc(F)ccc2[O-])cc(Cl)c1Br ZINC001138016697 935929416 /nfs/dbraw/zinc/92/94/16/935929416.db2.gz SCNOCAWGJCTSPX-UHFFFAOYSA-N -1 3 389.608 3.790 20 0 GHADHM Brc1ccc(OC[C@H]2CCCC23CCOCC3)c(-c2nnn[n-]2)c1 ZINC001573279168 946633080 /nfs/dbraw/zinc/63/30/80/946633080.db2.gz DNGIIQGYVSWXCF-GFCCVEGCSA-N -1 3 393.285 3.605 20 0 GHADHM Brc1ccc(OC[C@H]2CCCC23CCOCC3)c(-c2nn[n-]n2)c1 ZINC001573279168 946633087 /nfs/dbraw/zinc/63/30/87/946633087.db2.gz DNGIIQGYVSWXCF-GFCCVEGCSA-N -1 3 393.285 3.605 20 0 GHADHM Brc1cnc(N2CCC[C@@H]2CCC2CCCC2)c(-c2nnn[n-]2)c1 ZINC001573279435 946639986 /nfs/dbraw/zinc/63/99/86/946639986.db2.gz IXBYFFYURQHRFF-CQSZACIVSA-N -1 3 391.317 3.963 20 0 GHADHM Brc1cnc(N2CCC[C@@H]2CCC2CCCC2)c(-c2nn[n-]n2)c1 ZINC001573279435 946639995 /nfs/dbraw/zinc/63/99/95/946639995.db2.gz IXBYFFYURQHRFF-CQSZACIVSA-N -1 3 391.317 3.963 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC001573361593 947691608 /nfs/dbraw/zinc/69/16/08/947691608.db2.gz BXFGSFGFZLQIES-YFHOEESVSA-N -1 3 393.394 3.667 20 0 GHADHM CC(=Cc1ccco1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001573363455 947713491 /nfs/dbraw/zinc/71/34/91/947713491.db2.gz CWZGKMANIBTOKT-JLHYYAGUSA-N -1 3 391.456 3.908 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001573364465 947719972 /nfs/dbraw/zinc/71/99/72/947719972.db2.gz PZYKYWRJBUESKP-KHPPLWFESA-N -1 3 398.264 3.980 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001573364465 947719978 /nfs/dbraw/zinc/71/99/78/947719978.db2.gz PZYKYWRJBUESKP-KHPPLWFESA-N -1 3 398.264 3.980 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001573364743 947725115 /nfs/dbraw/zinc/72/51/15/947725115.db2.gz JEBVBQCRHNFMQU-WQLSENKSSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001573364743 947725120 /nfs/dbraw/zinc/72/51/20/947725120.db2.gz JEBVBQCRHNFMQU-WQLSENKSSA-N -1 3 394.866 3.822 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)CC2)cc1 ZINC001460784581 948526460 /nfs/dbraw/zinc/52/64/60/948526460.db2.gz JVPGDHZGNBTKJV-UHFFFAOYSA-N -1 3 379.439 3.974 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)CC2)cc1 ZINC001460784581 948526469 /nfs/dbraw/zinc/52/64/69/948526469.db2.gz JVPGDHZGNBTKJV-UHFFFAOYSA-N -1 3 379.439 3.974 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC001574417425 948765750 /nfs/dbraw/zinc/76/57/50/948765750.db2.gz MZAKRIIGJPHZFV-HXUWFJFHSA-N -1 3 390.491 3.867 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC001574417425 948765761 /nfs/dbraw/zinc/76/57/61/948765761.db2.gz MZAKRIIGJPHZFV-HXUWFJFHSA-N -1 3 390.491 3.867 20 0 GHADHM CC(C)c1cccc2c1CCN(C(=O)c1[nH]c3ccccc3c1-c1nnn[n-]1)C2 ZINC001574419299 948781024 /nfs/dbraw/zinc/78/10/24/948781024.db2.gz AAQZZIJAMIRLDS-UHFFFAOYSA-N -1 3 386.459 3.670 20 0 GHADHM CC(C)c1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001574420838 948804585 /nfs/dbraw/zinc/80/45/85/948804585.db2.gz BLUSYNGJTPASBV-UHFFFAOYSA-N -1 3 377.427 3.927 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2ccc(Br)cc2C1 ZINC001575510213 949124856 /nfs/dbraw/zinc/12/48/56/949124856.db2.gz GXBDVOAPNQMRKO-LBPRGKRZSA-N -1 3 384.281 3.749 20 0 GHADHM CC(C)(C(=O)NCCCSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573782458 949125584 /nfs/dbraw/zinc/12/55/84/949125584.db2.gz UTOGQZUPHWKKNU-UHFFFAOYSA-N -1 3 399.495 3.582 20 0 GHADHM CC(C)(C(=O)NCCCSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573782458 949125594 /nfs/dbraw/zinc/12/55/94/949125594.db2.gz UTOGQZUPHWKKNU-UHFFFAOYSA-N -1 3 399.495 3.582 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)c1ccncc1 ZINC001575251867 949153178 /nfs/dbraw/zinc/15/31/78/949153178.db2.gz OUBRJUOEVJRYAI-CVEARBPZSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)c1ccncc1 ZINC001575251867 949153188 /nfs/dbraw/zinc/15/31/88/949153188.db2.gz OUBRJUOEVJRYAI-CVEARBPZSA-N -1 3 398.470 3.910 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC001589605243 949245601 /nfs/dbraw/zinc/24/56/01/949245601.db2.gz PINWQNQZZWZSTE-UGSOOPFHSA-N -1 3 397.313 3.661 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@@H](CSc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001573792752 949263258 /nfs/dbraw/zinc/26/32/58/949263258.db2.gz UZOLKPXATCPQSZ-GFCCVEGCSA-N -1 3 393.944 3.897 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@@H](CSc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001573792752 949263278 /nfs/dbraw/zinc/26/32/78/949263278.db2.gz UZOLKPXATCPQSZ-GFCCVEGCSA-N -1 3 393.944 3.897 20 0 GHADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001576155209 949392176 /nfs/dbraw/zinc/39/21/76/949392176.db2.gz TZAOOUOVNIOOGW-ZUOKHONESA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001576155209 949392199 /nfs/dbraw/zinc/39/21/99/949392199.db2.gz TZAOOUOVNIOOGW-ZUOKHONESA-N -1 3 378.436 3.819 20 0 GHADHM CC1=CC[C@](C)(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CC1 ZINC001575866953 949426081 /nfs/dbraw/zinc/42/60/81/949426081.db2.gz WDWDSOHLPBHBJI-IBGZPJMESA-N -1 3 397.870 3.781 20 0 GHADHM CCCN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001589659528 949852798 /nfs/dbraw/zinc/85/27/98/949852798.db2.gz QUZXCXKQXJCFHS-MRXNPFEDSA-N -1 3 390.871 3.638 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001573825657 949887596 /nfs/dbraw/zinc/88/75/96/949887596.db2.gz ANKCOAKBQDQDDH-KBPBESRZSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001573825657 949887612 /nfs/dbraw/zinc/88/76/12/949887612.db2.gz ANKCOAKBQDQDDH-KBPBESRZSA-N -1 3 392.301 3.574 20 0 GHADHM C[C@@H](CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C ZINC001574752428 950487347 /nfs/dbraw/zinc/48/73/47/950487347.db2.gz CFXUGHFXPQXSGR-AWEZNQCLSA-N -1 3 397.479 3.793 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3cc4sccc4s3)c(-c3nnn[n-]3)cc2C1 ZINC001576214869 950683172 /nfs/dbraw/zinc/68/31/72/950683172.db2.gz CZBFWQOHOQZFBG-SECBINFHSA-N -1 3 396.501 3.915 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3cc4sccc4s3)c(-c3nn[n-]n3)cc2C1 ZINC001576214869 950683180 /nfs/dbraw/zinc/68/31/80/950683180.db2.gz CZBFWQOHOQZFBG-SECBINFHSA-N -1 3 396.501 3.915 20 0 GHADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001575625650 950691829 /nfs/dbraw/zinc/69/18/29/950691829.db2.gz TWYIKJBFQBSHQX-UHFFFAOYSA-N -1 3 378.274 3.640 20 0 GHADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001575625650 950691844 /nfs/dbraw/zinc/69/18/44/950691844.db2.gz TWYIKJBFQBSHQX-UHFFFAOYSA-N -1 3 378.274 3.640 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574520405 950730280 /nfs/dbraw/zinc/73/02/80/950730280.db2.gz REIINITZCYOOIK-IAGOWNOFSA-N -1 3 391.519 3.918 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574520405 950730292 /nfs/dbraw/zinc/73/02/92/950730292.db2.gz REIINITZCYOOIK-IAGOWNOFSA-N -1 3 391.519 3.918 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3(C(C)(F)F)CC3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576217410 950763954 /nfs/dbraw/zinc/76/39/54/950763954.db2.gz NPLWXHUHLBZOTQ-BDAKNGLRSA-N -1 3 381.452 3.988 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3(C(C)(F)F)CC3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576217410 950763969 /nfs/dbraw/zinc/76/39/69/950763969.db2.gz NPLWXHUHLBZOTQ-BDAKNGLRSA-N -1 3 381.452 3.988 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1O ZINC001573884068 950782962 /nfs/dbraw/zinc/78/29/62/950782962.db2.gz FWTDTWMCWMWJKP-LSDHHAIUSA-N -1 3 377.448 3.612 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1O ZINC001573884068 950782981 /nfs/dbraw/zinc/78/29/81/950782981.db2.gz FWTDTWMCWMWJKP-LSDHHAIUSA-N -1 3 377.448 3.612 20 0 GHADHM C[C@H]1CCc2sc(C(=O)N3CCCc4c(-c5nnn[n-]5)cccc43)cc2C1 ZINC001576220865 950837546 /nfs/dbraw/zinc/83/75/46/950837546.db2.gz XKWQEPQVQKCTNY-LBPRGKRZSA-N -1 3 379.489 3.646 20 0 GHADHM C[C@H]1CCc2sc(C(=O)N3CCCc4c(-c5nn[n-]n5)cccc43)cc2C1 ZINC001576220865 950837570 /nfs/dbraw/zinc/83/75/70/950837570.db2.gz XKWQEPQVQKCTNY-LBPRGKRZSA-N -1 3 379.489 3.646 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576221009 950844476 /nfs/dbraw/zinc/84/44/76/950844476.db2.gz YTERVQXYEFXQCX-MRUFAENASA-N -1 3 398.467 3.800 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576221009 950844505 /nfs/dbraw/zinc/84/45/05/950844505.db2.gz YTERVQXYEFXQCX-MRUFAENASA-N -1 3 398.467 3.800 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001573888705 950873381 /nfs/dbraw/zinc/87/33/81/950873381.db2.gz ZBFSIQRCLXXRJI-CVEARBPZSA-N -1 3 382.443 3.695 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001573888705 950873405 /nfs/dbraw/zinc/87/34/05/950873405.db2.gz ZBFSIQRCLXXRJI-CVEARBPZSA-N -1 3 382.443 3.695 20 0 GHADHM CC(C)CCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CC(C)C ZINC001574194832 950956904 /nfs/dbraw/zinc/95/69/04/950956904.db2.gz BSHPYSIJZNABKO-UHFFFAOYSA-N -1 3 382.516 3.654 20 0 GHADHM CC(C)CCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CC(C)C ZINC001574194832 950956921 /nfs/dbraw/zinc/95/69/21/950956921.db2.gz BSHPYSIJZNABKO-UHFFFAOYSA-N -1 3 382.516 3.654 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001573900515 951001002 /nfs/dbraw/zinc/00/10/02/951001002.db2.gz AEMDPSKPFUFXIX-UHFFFAOYSA-N -1 3 381.455 3.785 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001573900515 951001027 /nfs/dbraw/zinc/00/10/27/951001027.db2.gz AEMDPSKPFUFXIX-UHFFFAOYSA-N -1 3 381.455 3.785 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594489104 959678226 /nfs/dbraw/zinc/67/82/26/959678226.db2.gz QJGSHMUYOKPUNN-LJQANCHMSA-N -1 3 383.879 3.679 20 0 GHADHM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC001345728661 962275008 /nfs/dbraw/zinc/27/50/08/962275008.db2.gz BLPAWFYBDBDRKH-HXOBKFHXSA-N -1 3 398.478 3.555 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])N2CCCC2)cc1 ZINC001341355118 969751640 /nfs/dbraw/zinc/75/16/40/969751640.db2.gz YQAAZCCRSPPZPV-VQTJNVASSA-N -1 3 387.524 3.561 20 0 GHADHM Cc1cccc([C@@H](NCc2c[nH]c(C(=O)OCc3ccccc3)c2)C(=O)[O-])c1 ZINC001605328521 973184046 /nfs/dbraw/zinc/18/40/46/973184046.db2.gz BFFQZVDTBCMEOS-HXUWFJFHSA-N -1 3 378.428 3.596 20 0 GHADHM Cc1cccc(CN2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c1F ZINC001605339368 973224789 /nfs/dbraw/zinc/22/47/89/973224789.db2.gz GWMIDLXISIDWIQ-MRXNPFEDSA-N -1 3 394.487 3.668 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001591747680 975795949 /nfs/dbraw/zinc/79/59/49/975795949.db2.gz WLWFAUPCFSELSZ-PKOBYXMFSA-N -1 3 397.475 3.739 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001592274850 977551847 /nfs/dbraw/zinc/55/18/47/977551847.db2.gz WDJKVPPOMVWYKV-RYUDHWBXSA-N -1 3 395.381 3.867 20 0 GHADHM C[C@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1cccc(Br)c1 ZINC001592709052 979190616 /nfs/dbraw/zinc/19/06/16/979190616.db2.gz FNEPYKYUSAUHCT-LLVKDONJSA-N -1 3 382.229 3.844 20 0 GHADHM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000842658098 979323795 /nfs/dbraw/zinc/32/37/95/979323795.db2.gz KZQNNZKMNORTCJ-LEWJYISDSA-N -1 3 398.547 3.925 20 0 GHADHM CC[C@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC001595153362 979652746 /nfs/dbraw/zinc/65/27/46/979652746.db2.gz WWDYFDBUCSTBHP-IIBYNOLFSA-N -1 3 395.503 3.833 20 0 GHADHM CC[C@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC001595153360 979653060 /nfs/dbraw/zinc/65/30/60/979653060.db2.gz WWDYFDBUCSTBHP-HRAATJIYSA-N -1 3 395.503 3.833 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1)C(=O)[O-] ZINC001592866165 979710107 /nfs/dbraw/zinc/71/01/07/979710107.db2.gz IINDQTXTVSCUAE-UWJYYQICSA-N -1 3 395.503 3.736 20 0 GHADHM O=c1cc(O[C@@H](c2ccccc2)c2ccccc2Cl)nc(N2CCOCC2)[n-]1 ZINC001226727738 1032097155 /nfs/dbraw/zinc/09/71/55/1032097155.db2.gz IDZULWPQKJWLOL-FQEVSTJZSA-N -1 3 397.862 3.841 20 0 GHADHM CO[C@]1(C(=O)[O-])CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000901542700 980370563 /nfs/dbraw/zinc/37/05/63/980370563.db2.gz RQOVUMMSNGHPSD-LJQANCHMSA-N -1 3 379.815 3.947 20 0 GHADHM Cc1ccc(OCCN(C)Cc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000902082520 980724512 /nfs/dbraw/zinc/72/45/12/980724512.db2.gz HCPDHAONMCTNPN-UHFFFAOYSA-N -1 3 378.266 3.967 20 0 GHADHM CCCCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1(C)C ZINC001595770443 982508854 /nfs/dbraw/zinc/50/88/54/982508854.db2.gz IFBXCGJBQQOODJ-MGPQQGTHSA-N -1 3 382.526 3.655 20 0 GHADHM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001596164205 983526418 /nfs/dbraw/zinc/52/64/18/983526418.db2.gz HHPDHGPASAYOMT-FOIQADDNSA-N -1 3 384.451 3.822 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599891551 984699828 /nfs/dbraw/zinc/69/98/28/984699828.db2.gz VWKDJLIXOKPSRB-GFCCVEGCSA-N -1 3 393.846 3.819 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC(C)(C)CC3)cs2)c1 ZINC000544832849 1015079219 /nfs/dbraw/zinc/07/92/19/1015079219.db2.gz HELCTDLINXTRGQ-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2cccc3ccccc32)CC1 ZINC001589348495 986294249 /nfs/dbraw/zinc/29/42/49/986294249.db2.gz AUEMSBODFLRGNY-QGZVFWFLSA-N -1 3 394.515 3.731 20 0 GHADHM C[C@H]1CN(c2cccc(F)c2)CCN1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001594575109 986409618 /nfs/dbraw/zinc/40/96/18/986409618.db2.gz HXJVTSNSMHXMCL-HNNXBMFYSA-N -1 3 379.435 3.783 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c(C)o1 ZINC000544919984 1015217496 /nfs/dbraw/zinc/21/74/96/1015217496.db2.gz HBCXDMWISDAPSK-UHFFFAOYSA-N -1 3 388.232 3.520 20 0 GHADHM C[C@@H]1CN(c2cccc3cnccc32)CCN1CCOc1ccccc1C(=O)[O-] ZINC001594576322 986418198 /nfs/dbraw/zinc/41/81/98/986418198.db2.gz WYODDHRNMVLNPA-QGZVFWFLSA-N -1 3 391.471 3.523 20 0 GHADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589439555 986775255 /nfs/dbraw/zinc/77/52/55/986775255.db2.gz IDWGBSFXULOSJK-MZNJEOGPSA-N -1 3 388.467 3.895 20 0 GHADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589439603 986776522 /nfs/dbraw/zinc/77/65/22/986776522.db2.gz JCQUATYOBUUFDR-NPFVIJTESA-N -1 3 388.467 3.967 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC001589508596 987129814 /nfs/dbraw/zinc/12/98/14/987129814.db2.gz KRODXLOFKIAXSK-SCLBCKFNSA-N -1 3 389.883 3.953 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001589612226 987472233 /nfs/dbraw/zinc/47/22/33/987472233.db2.gz TVFDDRWRYWSAKP-CZUORRHYSA-N -1 3 398.425 3.634 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(Cc1cc(C(=O)[O-])co1)C2 ZINC001590005853 988956088 /nfs/dbraw/zinc/95/60/88/988956088.db2.gz YGYGNXATPIVZDN-HXUWFJFHSA-N -1 3 378.469 3.591 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc([C@@H]4C[C@H]4C)no3)c2)cc1 ZINC000545057368 1015441589 /nfs/dbraw/zinc/44/15/89/1015441589.db2.gz HPDCTZSCWQSITQ-CXAGYDPISA-N -1 3 399.472 3.978 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc([C@H]4C[C@H]4C)no3)c2)cc1 ZINC000545057369 1015442018 /nfs/dbraw/zinc/44/20/18/1015442018.db2.gz HPDCTZSCWQSITQ-DYVFJYSZSA-N -1 3 399.472 3.978 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001590303282 989730246 /nfs/dbraw/zinc/73/02/46/989730246.db2.gz IRUBNPMAPUYRBO-IBGZPJMESA-N -1 3 398.459 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(CN(CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000468276037 1015537266 /nfs/dbraw/zinc/53/72/66/1015537266.db2.gz APMNSEXOLVTWOO-UHFFFAOYSA-N -1 3 377.488 3.719 20 0 GHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000545152709 1015589945 /nfs/dbraw/zinc/58/99/45/1015589945.db2.gz PTYDFBYKUORLNT-UHFFFAOYSA-N -1 3 376.261 3.819 20 0 GHADHM CN(C)Cc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC001598252524 991033705 /nfs/dbraw/zinc/03/37/05/991033705.db2.gz KLSUGDMJRKTCFU-UHFFFAOYSA-N -1 3 380.366 3.646 20 0 GHADHM CN(C)c1nc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])c(Cl)n1-c1ccccc1 ZINC001598349096 991443949 /nfs/dbraw/zinc/44/39/49/991443949.db2.gz VKMOQEXBWDYTHU-MGPUTAFESA-N -1 3 390.915 3.715 20 0 GHADHM CN(c1ccccc1)c1ccc(CNCc2cccc(OCC(=O)[O-])c2)cn1 ZINC001598545241 992937798 /nfs/dbraw/zinc/93/77/98/992937798.db2.gz WUDYRVTXHOUUMG-UHFFFAOYSA-N -1 3 377.444 3.603 20 0 GHADHM COc1ccc(OC2CCN(Cc3ccc(C4(C(=O)[O-])CC4)cc3)CC2)cc1 ZINC001599607190 993901314 /nfs/dbraw/zinc/90/13/14/993901314.db2.gz UZCGSRRGDLJDJX-UHFFFAOYSA-N -1 3 381.472 3.855 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000468576185 1015816991 /nfs/dbraw/zinc/81/69/91/1015816991.db2.gz HUHNTVBNBAUXPU-UITAMQMPSA-N -1 3 382.479 3.712 20 0 GHADHM C[C@@H](N[C@H](C)c1cc2ccccc2s1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593198008 994167820 /nfs/dbraw/zinc/16/78/20/994167820.db2.gz NBXNYRHTCXULLZ-ZIAGYGMSSA-N -1 3 382.485 3.955 20 0 GHADHM C[C@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001593220817 994316642 /nfs/dbraw/zinc/31/66/42/994316642.db2.gz VQOOYVMMGVRHAU-XGHQBKJUSA-N -1 3 396.487 3.553 20 0 GHADHM C[C@@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1-c1ccc(Cl)cc1 ZINC001593221053 994319035 /nfs/dbraw/zinc/31/90/35/994319035.db2.gz XHIWJZANSDTJGG-AUUYWEPGSA-N -1 3 386.879 3.733 20 0 GHADHM COc1cccc(-c2nc(CN[C@H](C)[C@@H](Cc3ccccc3)C(=O)[O-])co2)c1 ZINC001599638595 994325171 /nfs/dbraw/zinc/32/51/71/994325171.db2.gz BBZDIRWFAWTUCY-FOIQADDNSA-N -1 3 380.444 3.772 20 0 GHADHM COc1cccc(-c2nc(CN[C@@H](C)[C@H](Cc3ccccc3)C(=O)[O-])co2)c1 ZINC001599638603 994326158 /nfs/dbraw/zinc/32/61/58/994326158.db2.gz BBZDIRWFAWTUCY-YWZLYKJASA-N -1 3 380.444 3.772 20 0 GHADHM Cc1nc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(-c2ccccc2)o1 ZINC000545436570 1015870979 /nfs/dbraw/zinc/87/09/79/1015870979.db2.gz DLSWQABWPRVMSQ-UHFFFAOYSA-N -1 3 380.354 3.993 20 0 GHADHM COc1cccc([C@@H](CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)N2CCCC2)c1 ZINC001599658070 994612758 /nfs/dbraw/zinc/61/27/58/994612758.db2.gz SLLARWUJTWOAHZ-HXUWFJFHSA-N -1 3 397.475 3.660 20 0 GHADHM COc1cccc([C@@H](N[C@@H](c2cncc(Br)c2)C2CC2)C(=O)[O-])c1 ZINC001599658213 994614961 /nfs/dbraw/zinc/61/49/61/994614961.db2.gz TVXXFNQNKCYVGU-IAGOWNOFSA-N -1 3 391.265 3.719 20 0 GHADHM COc1cccc([C@@H](O)C2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)c1 ZINC001599660054 994642285 /nfs/dbraw/zinc/64/22/85/994642285.db2.gz PTVCEQZXUXACHX-PMACEKPBSA-N -1 3 389.879 3.920 20 0 GHADHM C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593295226 994689910 /nfs/dbraw/zinc/68/99/10/994689910.db2.gz CXCWVQFNDFPCGR-HNNXBMFYSA-N -1 3 385.460 3.956 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001593297200 994701374 /nfs/dbraw/zinc/70/13/74/994701374.db2.gz SZYDXSOUHIGHJO-QVKFZJNVSA-N -1 3 387.451 3.939 20 0 GHADHM COC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001598888446 996945734 /nfs/dbraw/zinc/94/57/34/996945734.db2.gz RSHLCEHNCPBRGJ-HNNXBMFYSA-N -1 3 382.338 3.799 20 0 GHADHM COc1cc(CNC2([C@H]3CCCCO3)CCC2)c(Br)cc1C(=O)[O-] ZINC001599415582 997502600 /nfs/dbraw/zinc/50/26/00/997502600.db2.gz DCDBJKKRFJVCTL-MRXNPFEDSA-N -1 3 398.297 3.737 20 0 GHADHM COc1ccc([C@H](NCc2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)[O-])cc1 ZINC001599532806 997688971 /nfs/dbraw/zinc/68/89/71/997688971.db2.gz SRTOXOFVODUMCG-SFHVURJKSA-N -1 3 386.448 3.958 20 0 GHADHM CO[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H]1C ZINC001599122901 997774254 /nfs/dbraw/zinc/77/42/54/997774254.db2.gz DYIZPWNJTVHAEZ-BDJLRTHQSA-N -1 3 398.290 3.734 20 0 GHADHM COc1cc(Br)c(CNC[C@H](CC2CCCC2)C(=O)[O-])cc1O ZINC001599347841 998040245 /nfs/dbraw/zinc/04/02/45/998040245.db2.gz LBZVCKXXGLCOBJ-ZDUSSCGKSA-N -1 3 386.286 3.534 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(-n3cccn3)c(F)c2)C(=O)[O-])c1 ZINC001599452708 998133593 /nfs/dbraw/zinc/13/35/93/998133593.db2.gz GCKCEDYXXMBWQC-ZUOKHONESA-N -1 3 399.422 3.505 20 0 GHADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ncc1Br ZINC000468903711 1016193720 /nfs/dbraw/zinc/19/37/20/1016193720.db2.gz JHCUNEMAQKDUJV-UHFFFAOYSA-N -1 3 383.217 3.659 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cc(C)c(O)c(C)c1)CC2 ZINC001599464036 998327262 /nfs/dbraw/zinc/32/72/62/998327262.db2.gz XSIMGDMGBRVNTH-GOSISDBHSA-N -1 3 385.460 3.600 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594292871 999129921 /nfs/dbraw/zinc/12/99/21/999129921.db2.gz OCJXCAGNYAQFII-IPYPFGDCSA-N -1 3 376.522 3.917 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CN(CC3CC3)C3CCC3)c2C(=O)[O-])C1 ZINC001594442110 999628578 /nfs/dbraw/zinc/62/85/78/999628578.db2.gz MVAHQGJXZSVZSC-GFCCVEGCSA-N -1 3 376.522 3.774 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N(C)Cc3ncccc3C(F)(F)F)c2c1 ZINC001154512917 1032154939 /nfs/dbraw/zinc/15/49/39/1032154939.db2.gz KREOQYBDGWOEKL-UHFFFAOYSA-N -1 3 391.349 3.635 20 0 GHADHM CCCc1cc(O[C@@H](C(=O)OC)c2cccc(Br)c2)[n-]c(=S)n1 ZINC001227423358 1032415902 /nfs/dbraw/zinc/41/59/02/1032415902.db2.gz XAQJBEYKAGFOOQ-CQSZACIVSA-N -1 3 397.294 3.773 20 0 GHADHM COC(=O)c1sc2c(c1NC(=O)c1nc3nc(Cl)ccc3[n-]1)CCCC2 ZINC001155177487 1032446235 /nfs/dbraw/zinc/44/62/35/1032446235.db2.gz SOTNRDSMYFCONU-UHFFFAOYSA-N -1 3 390.852 3.591 20 0 GHADHM COC(=O)c1sc2c(c1NC(=O)c1nc3ccc(Cl)[n-]c-3n1)CCCC2 ZINC001155177487 1032446241 /nfs/dbraw/zinc/44/62/41/1032446241.db2.gz SOTNRDSMYFCONU-UHFFFAOYSA-N -1 3 390.852 3.591 20 0 GHADHM COC(=O)c1ccc([O-])c(OCc2cc(OC(C)C)cc(OC(C)C)c2)n1 ZINC001227824783 1032634706 /nfs/dbraw/zinc/63/47/06/1032634706.db2.gz KAIWQYREPRHQIP-UHFFFAOYSA-N -1 3 375.421 3.727 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)OCCc2sccc21 ZINC000558484234 1017211304 /nfs/dbraw/zinc/21/13/04/1017211304.db2.gz UYUGQZPCBHXKLV-OAHLLOKOSA-N -1 3 392.329 3.821 20 0 GHADHM COc1ccc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000777626155 1017417961 /nfs/dbraw/zinc/41/79/61/1017417961.db2.gz QBQGGTFHKABMKZ-QAPCUYQASA-N -1 3 390.505 3.647 20 0 GHADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000559703756 1017489961 /nfs/dbraw/zinc/48/99/61/1017489961.db2.gz YXNGOJNWXGYGLK-UHFFFAOYSA-N -1 3 386.879 3.770 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCC[C@H](C(F)(F)F)O3)cc2)n1 ZINC000930688625 1017861455 /nfs/dbraw/zinc/86/14/55/1017861455.db2.gz XIQNZYUMWYJLEC-HUUCEWRRSA-N -1 3 395.381 3.574 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)CCCCCC2)no1 ZINC000562528669 1018273371 /nfs/dbraw/zinc/27/33/71/1018273371.db2.gz WAPGYYMYTUEUMR-UHFFFAOYSA-N -1 3 392.456 3.526 20 0 GHADHM C[C@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1cc(Br)no1 ZINC001228078297 1032767829 /nfs/dbraw/zinc/76/78/29/1032767829.db2.gz IATGCEOEFDTDKA-ZETCQYMHSA-N -1 3 384.182 3.568 20 0 GHADHM CCCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1cccc(F)c1 ZINC000563391452 1018910131 /nfs/dbraw/zinc/91/01/31/1018910131.db2.gz SGIFOIMJYFZDMI-UHFFFAOYSA-N -1 3 381.411 3.589 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@@H]2CCN(c3ccnc(Cl)n3)C2)c1 ZINC001228153096 1032810572 /nfs/dbraw/zinc/81/05/72/1032810572.db2.gz ATRNRSKJDHSMTF-MRXNPFEDSA-N -1 3 395.846 3.724 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H]3CCCC3(F)F)n2)cc1 ZINC000569919252 1019536751 /nfs/dbraw/zinc/53/67/51/1019536751.db2.gz UWHHOGUCSKHFEK-DOMZBBRYSA-N -1 3 399.463 3.715 20 0 GHADHM O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1ccc(Br)cc1[O-] ZINC000576818849 1020072701 /nfs/dbraw/zinc/07/27/01/1020072701.db2.gz NJCFVIGWQSVCET-AWEZNQCLSA-N -1 3 392.249 3.504 20 0 GHADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000159330416 1020249612 /nfs/dbraw/zinc/24/96/12/1020249612.db2.gz RNHZRIDLWVZYEV-MRXNPFEDSA-N -1 3 386.300 3.786 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCCC34CCCCC4)c(=O)c2c(OC)c1 ZINC000628039980 1020652916 /nfs/dbraw/zinc/65/29/16/1020652916.db2.gz LXOZYMJGFGLLPI-SFHVURJKSA-N -1 3 384.476 3.778 20 0 GHADHM Cc1ccc(C)c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1C(=O)[O-] ZINC000634818984 1020958782 /nfs/dbraw/zinc/95/87/82/1020958782.db2.gz CIMNQTIJCMKPRS-IBGZPJMESA-N -1 3 380.488 3.786 20 0 GHADHM Cn1nc(C(=O)[O-])cc1CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000635305525 1020979250 /nfs/dbraw/zinc/97/92/50/1020979250.db2.gz POKXENUCBSXXJE-INIZCTEOSA-N -1 3 378.270 3.512 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1Br ZINC000647918964 1021151863 /nfs/dbraw/zinc/15/18/63/1021151863.db2.gz FQLZOUMMOVZLKH-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001156284035 1032958311 /nfs/dbraw/zinc/95/83/11/1032958311.db2.gz CAKKIPUYSHUPST-LBPRGKRZSA-N -1 3 396.800 3.692 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CNCCN2CCc3ccccc3C2)o1 ZINC000902113554 1021478442 /nfs/dbraw/zinc/47/84/42/1021478442.db2.gz UPECVRBJAAXFSI-UHFFFAOYSA-N -1 3 376.456 3.793 20 0 GHADHM Cc1[nH]c(CN2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001140498861 1021873229 /nfs/dbraw/zinc/87/32/29/1021873229.db2.gz SSYRYMIDTZNQJK-INIZCTEOSA-N -1 3 391.512 3.599 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001228623280 1033012484 /nfs/dbraw/zinc/01/24/84/1033012484.db2.gz QUXPJVUBDRDHCJ-CJNGLKHVSA-N -1 3 389.448 3.831 20 0 GHADHM COc1ccc(CCN(C)Cc2cccc([O-])c2Br)cc1OC ZINC001140547841 1021949371 /nfs/dbraw/zinc/94/93/71/1021949371.db2.gz RAYKKJDENLZVIV-UHFFFAOYSA-N -1 3 380.282 3.846 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140550785 1021953248 /nfs/dbraw/zinc/95/32/48/1021953248.db2.gz IVVGGRZZHSTJEU-CYBMUJFWSA-N -1 3 399.329 3.844 20 0 GHADHM Cc1ccnc(O[C@H]2CCCN(Cc3cccc([O-])c3Br)C2)c1 ZINC001140555759 1021959667 /nfs/dbraw/zinc/95/96/67/1021959667.db2.gz VLUWEXITSQAUPU-HNNXBMFYSA-N -1 3 377.282 3.902 20 0 GHADHM COc1cc(C(=O)OCc2ccc(SC(=O)N(C)C)cc2)cc(OC)c1[O-] ZINC000754277602 1022578581 /nfs/dbraw/zinc/57/85/81/1022578581.db2.gz CKGUBKCGOLUPHJ-UHFFFAOYSA-N -1 3 391.445 3.540 20 0 GHADHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000754440440 1022709299 /nfs/dbraw/zinc/70/92/99/1022709299.db2.gz LSGHMDUQHOBHSV-SNVBAGLBSA-N -1 3 387.274 3.596 20 0 GHADHM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000754501182 1022742601 /nfs/dbraw/zinc/74/26/01/1022742601.db2.gz XAANAIMIDFWKDT-LBPRGKRZSA-N -1 3 386.901 3.727 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140988246 1023091488 /nfs/dbraw/zinc/09/14/88/1023091488.db2.gz TXWPNNHYEMNRKJ-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM [O-]c1c(F)cc(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)cc1F ZINC001140988693 1023092919 /nfs/dbraw/zinc/09/29/19/1023092919.db2.gz IIZNNCDTJBIWLQ-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140989952 1023099647 /nfs/dbraw/zinc/09/96/47/1023099647.db2.gz HPLDRAORSDIRBT-IBGZPJMESA-N -1 3 378.444 3.751 20 0 GHADHM Cc1cc(Cl)ccc1Cc1cnc(NC([O-])=NO[C@@H](CO)C(C)C)s1 ZINC000836619626 1023177924 /nfs/dbraw/zinc/17/79/24/1023177924.db2.gz FHWFGWAFMFIGGS-HNNXBMFYSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[N-]O[C@@H](CO)C(C)C)s1 ZINC000836619626 1023177926 /nfs/dbraw/zinc/17/79/26/1023177926.db2.gz FHWFGWAFMFIGGS-HNNXBMFYSA-N -1 3 383.901 3.766 20 0 GHADHM COCC[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000836886499 1023441334 /nfs/dbraw/zinc/44/13/34/1023441334.db2.gz LMXJSHMLPKEWSF-OAHLLOKOSA-N -1 3 395.368 3.961 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]O[C@@H](CO)C(C)C)cc1 ZINC000836901226 1023447282 /nfs/dbraw/zinc/44/72/82/1023447282.db2.gz JRUBZEVEVKBVIQ-NRFANRHFSA-N -1 3 396.487 3.841 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1F)C1CCCC1 ZINC000756214674 1023556894 /nfs/dbraw/zinc/55/68/94/1023556894.db2.gz YCFMEZOLHYGQGQ-HNNXBMFYSA-N -1 3 385.892 3.731 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc2c1cnn2[C@H]1CCCCO1 ZINC001204898578 1033152912 /nfs/dbraw/zinc/15/29/12/1033152912.db2.gz XTJCZVHDLHTLLG-LJQANCHMSA-N -1 3 376.420 3.591 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc2c1cnn2[C@H]1CCCCO1 ZINC001204898578 1033152923 /nfs/dbraw/zinc/15/29/23/1033152923.db2.gz XTJCZVHDLHTLLG-LJQANCHMSA-N -1 3 376.420 3.591 20 0 GHADHM O=C([N-]Cc1cc2cc(Br)ccc2[nH]1)C(F)(F)c1nccs1 ZINC000756751168 1023799427 /nfs/dbraw/zinc/79/94/27/1023799427.db2.gz OEMGRSXZJWUUEY-UHFFFAOYSA-N -1 3 386.221 3.795 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Cc2c(F)cccc2F)CC1 ZINC000837099083 1024023458 /nfs/dbraw/zinc/02/34/58/1024023458.db2.gz ROPFCGSQGNTXDQ-UHFFFAOYSA-N -1 3 383.398 3.709 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001228958199 1033199814 /nfs/dbraw/zinc/19/98/14/1033199814.db2.gz JYJSRSSAEKFCRH-IBGZPJMESA-N -1 3 383.488 3.998 20 0 GHADHM Cc1nc2cc(C(=O)Nc3ccc(I)cc3[O-])ccc2o1 ZINC001138176676 1024307305 /nfs/dbraw/zinc/30/73/05/1024307305.db2.gz OSQNOWXHQCPYKF-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1cc2sccc2c([O-])c1 ZINC001138203966 1024357226 /nfs/dbraw/zinc/35/72/26/1024357226.db2.gz PCNHJAPOKZLUCZ-KRWDZBQOSA-N -1 3 398.553 3.954 20 0 GHADHM COc1ccc(-c2nc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cs2)cc1 ZINC000837394325 1024416778 /nfs/dbraw/zinc/41/67/78/1024416778.db2.gz KKQJOXYAZVSDDP-UHFFFAOYSA-N -1 3 383.429 3.549 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141302262 1024463651 /nfs/dbraw/zinc/46/36/51/1024463651.db2.gz WRDIBNUJRYDIJA-HNNXBMFYSA-N -1 3 390.484 3.879 20 0 GHADHM CCCNC(=O)c1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001141302456 1024464879 /nfs/dbraw/zinc/46/48/79/1024464879.db2.gz FCJRZBZEUKRCGP-UHFFFAOYSA-N -1 3 377.238 3.547 20 0 GHADHM CCN(CC)[C@@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001138325888 1024669317 /nfs/dbraw/zinc/66/93/17/1024669317.db2.gz LSSLGOQTLOGVIY-OAHLLOKOSA-N -1 3 378.270 3.571 20 0 GHADHM O=C1C[C@H](N(Cc2ccccc2)Cc2ncccc2[O-])CN1Cc1ccccc1 ZINC001138396672 1024774375 /nfs/dbraw/zinc/77/43/75/1024774375.db2.gz XMDANZKGWYXBBS-NRFANRHFSA-N -1 3 387.483 3.591 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H]1O ZINC000837974363 1024855149 /nfs/dbraw/zinc/85/51/49/1024855149.db2.gz SRGJMIXKNDSPBB-ZBFHGGJFSA-N -1 3 375.471 3.671 20 0 GHADHM O=C(COC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[N-]C(=O)c1cccs1 ZINC000838006134 1024874879 /nfs/dbraw/zinc/87/48/79/1024874879.db2.gz KPBUBQDPRZMWDE-WCQYABFASA-N -1 3 395.839 3.534 20 0 GHADHM C[C@@H]1COCCN1c1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000838880218 1025415673 /nfs/dbraw/zinc/41/56/73/1025415673.db2.gz MDDFFXMZPDLVBX-CYBMUJFWSA-N -1 3 377.282 3.992 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1(Cl)Cl ZINC000832364649 1025488864 /nfs/dbraw/zinc/48/88/64/1025488864.db2.gz KXUOILMGGZTLOD-CQSZACIVSA-N -1 3 396.723 3.721 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C1CCCCCCC1)C(F)(F)F ZINC001461025392 1069342826 /nfs/dbraw/zinc/34/28/26/1069342826.db2.gz IQABUDFPNWGPRK-INIZCTEOSA-N -1 3 382.426 3.983 20 0 GHADHM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001141615920 1025906208 /nfs/dbraw/zinc/90/62/08/1025906208.db2.gz SOXRENBKUPRZRH-WIOPSUGQSA-N -1 3 387.479 3.879 20 0 GHADHM CCCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cnn1-c1ccccc1 ZINC001162885409 1025954189 /nfs/dbraw/zinc/95/41/89/1025954189.db2.gz OWLLSFSVUYSXKX-UHFFFAOYSA-N -1 3 395.463 3.756 20 0 GHADHM CCCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cnn1-c1ccccc1 ZINC001162885409 1025954190 /nfs/dbraw/zinc/95/41/90/1025954190.db2.gz OWLLSFSVUYSXKX-UHFFFAOYSA-N -1 3 395.463 3.756 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1)C(F)(F)F ZINC000832904627 1026085627 /nfs/dbraw/zinc/08/56/27/1026085627.db2.gz VACJZOHQKKLHPV-HNNXBMFYSA-N -1 3 394.437 3.931 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ncco1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001163390179 1026173970 /nfs/dbraw/zinc/17/39/70/1026173970.db2.gz DGBGCWFSNPPJMR-QGZVFWFLSA-N -1 3 395.365 3.508 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001141691316 1026260140 /nfs/dbraw/zinc/26/01/40/1026260140.db2.gz NKXRBYKNZPIRPV-UHFFFAOYSA-N -1 3 389.814 3.657 20 0 GHADHM CN1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H]1C(C)(C)C ZINC001163929479 1026364711 /nfs/dbraw/zinc/36/47/11/1026364711.db2.gz LPYWSCJZCLLONA-KRWDZBQOSA-N -1 3 391.512 3.542 20 0 GHADHM CN(C[Si](C)(C)C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001164221056 1026456966 /nfs/dbraw/zinc/45/69/66/1026456966.db2.gz HQZKZNPVLRWXHV-LJQANCHMSA-N -1 3 384.552 3.589 20 0 GHADHM CCCCCCOc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC001164321606 1026484816 /nfs/dbraw/zinc/48/48/16/1026484816.db2.gz IVZNRRCWWZDNIZ-INIZCTEOSA-N -1 3 387.480 3.713 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001164383351 1026502659 /nfs/dbraw/zinc/50/26/59/1026502659.db2.gz UDUAPMLJPFEJRA-LBPRGKRZSA-N -1 3 378.354 3.817 20 0 GHADHM Fc1ccc(OC2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)cc1F ZINC001165063654 1026582872 /nfs/dbraw/zinc/58/28/72/1026582872.db2.gz ZGXDRDLIKWRZTE-UHFFFAOYSA-N -1 3 379.766 3.509 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139857619 1026671512 /nfs/dbraw/zinc/67/15/12/1026671512.db2.gz OCRNIUBPXCZLPB-GFCCVEGCSA-N -1 3 384.281 3.576 20 0 GHADHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1c(F)ccc(Br)c1F ZINC001166071484 1026908767 /nfs/dbraw/zinc/90/87/67/1026908767.db2.gz DCOCIHSGFFOACP-UHFFFAOYSA-N -1 3 387.111 3.966 20 0 GHADHM CN(Cc1ccsc1)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001166828687 1027097742 /nfs/dbraw/zinc/09/77/42/1027097742.db2.gz GNDNGZCIGSIWLG-UHFFFAOYSA-N -1 3 395.456 3.859 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(C)(C)c1ccccc1 ZINC001210000296 1027308261 /nfs/dbraw/zinc/30/82/61/1027308261.db2.gz OJQCOYAGYOIXPI-OAHLLOKOSA-N -1 3 393.896 3.911 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccc(Cl)cc1 ZINC001210172510 1027371007 /nfs/dbraw/zinc/37/10/07/1027371007.db2.gz NUXSTPHGPXZEDC-OAHLLOKOSA-N -1 3 375.824 3.593 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC001141843608 1027413990 /nfs/dbraw/zinc/41/39/90/1027413990.db2.gz OHHPXPHXCYCOAT-JTQLQIEISA-N -1 3 376.247 3.840 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC001141843608 1027413995 /nfs/dbraw/zinc/41/39/95/1027413995.db2.gz OHHPXPHXCYCOAT-JTQLQIEISA-N -1 3 376.247 3.840 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141843721 1027414798 /nfs/dbraw/zinc/41/47/98/1027414798.db2.gz SXLCKEWBHMCFMX-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141843721 1027414802 /nfs/dbraw/zinc/41/48/02/1027414802.db2.gz SXLCKEWBHMCFMX-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C2CCOCC2)c(Br)c1 ZINC001210837394 1027672276 /nfs/dbraw/zinc/67/22/76/1027672276.db2.gz HHNBMEGTPMDGHH-SNVBAGLBSA-N -1 3 396.734 3.504 20 0 GHADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)OC ZINC001211119080 1027797022 /nfs/dbraw/zinc/79/70/22/1027797022.db2.gz VCFPNTLUIQSMCG-INIZCTEOSA-N -1 3 382.551 3.930 20 0 GHADHM CCOC(=O)c1nnsc1[N-]c1ccc2c(cnn2C(=O)OC(C)(C)C)c1 ZINC001211254850 1027863405 /nfs/dbraw/zinc/86/34/05/1027863405.db2.gz LQDOTVGIGMHASC-UHFFFAOYSA-N -1 3 389.437 3.591 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(Cl)c2)c(F)cc1F ZINC001213193813 1028038994 /nfs/dbraw/zinc/03/89/94/1028038994.db2.gz HZGXLFJTPMSPRF-AWEZNQCLSA-N -1 3 396.242 3.592 20 0 GHADHM O=c1cc(-c2nc(-c3ccc(Br)cc3F)no2)nc(C2CC2)[n-]1 ZINC001213259158 1028073022 /nfs/dbraw/zinc/07/30/22/1028073022.db2.gz QRWSWTFLIBWSQA-UHFFFAOYSA-N -1 3 377.173 3.678 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccns2)c(Br)c1 ZINC001213304174 1028097526 /nfs/dbraw/zinc/09/75/26/1028097526.db2.gz PGBUHOAUNFLYJW-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM [O-]c1cc(Cl)c(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c(Cl)c1 ZINC001142108932 1028126861 /nfs/dbraw/zinc/12/68/61/1028126861.db2.gz DWHJTYIODRDJEE-AOIWGVFYSA-N -1 3 395.286 3.905 20 0 GHADHM COc1cnc(OC2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)nc1 ZINC001142122349 1028189333 /nfs/dbraw/zinc/18/93/33/1028189333.db2.gz YKPSBXCZWJLWCM-UHFFFAOYSA-N -1 3 384.263 3.541 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC001213468323 1028205986 /nfs/dbraw/zinc/20/59/86/1028205986.db2.gz DDOUGACMRSVXGP-ZDUSSCGKSA-N -1 3 385.835 3.985 20 0 GHADHM Fc1ccc(I)cc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500978 1028229865 /nfs/dbraw/zinc/22/98/65/1028229865.db2.gz VFWCWAQFXJTVJG-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cccc(-n4cc(Br)cn4)c3)no2)n1 ZINC001213699357 1028337587 /nfs/dbraw/zinc/33/75/87/1028337587.db2.gz FXRGBJHBVWWCBM-UHFFFAOYSA-N -1 3 398.220 3.761 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)[C@@H]2C[C@H]2C)ccc1F ZINC000841308257 1028400496 /nfs/dbraw/zinc/40/04/96/1028400496.db2.gz NWCRQPDOLWGRHA-RDTXWAMCSA-N -1 3 390.480 3.568 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(OC)ccc3Br)no2)[n-]1 ZINC001213976938 1028484815 /nfs/dbraw/zinc/48/48/15/1028484815.db2.gz CUXBSYRSUDXPNB-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)c(C)c3)no2)[n-]1 ZINC001213975177 1028485146 /nfs/dbraw/zinc/48/51/46/1028485146.db2.gz VZYVUZGHWFFEAP-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1C1CCCC1)c1cnc(Cl)c(Br)c1 ZINC001214075173 1028536248 /nfs/dbraw/zinc/53/62/48/1028536248.db2.gz HGCKCQUGUAWKGC-PWSUYJOCSA-N -1 3 393.734 3.602 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001214169036 1028579138 /nfs/dbraw/zinc/57/91/38/1028579138.db2.gz TYUKNQSMPFWOHX-LURJTMIESA-N -1 3 383.252 3.605 20 0 GHADHM COCOc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001214369132 1028698934 /nfs/dbraw/zinc/69/89/34/1028698934.db2.gz XJZCNGNPZASULD-UHFFFAOYSA-N -1 3 391.276 3.668 20 0 GHADHM Nc1ccc(I)c(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214554410 1028790873 /nfs/dbraw/zinc/79/08/73/1028790873.db2.gz QMNLATMIHDVTPY-UHFFFAOYSA-N -1 3 379.560 3.510 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2cc(Cl)ccc2OC)C(=O)[O-])c1 ZINC000841801784 1028949901 /nfs/dbraw/zinc/94/99/01/1028949901.db2.gz XOTZUFRVWBEAQE-QGZVFWFLSA-N -1 3 395.908 3.833 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1c(F)ccc(OC(C)C)c1F)OCC ZINC001215173112 1029072905 /nfs/dbraw/zinc/07/29/05/1029072905.db2.gz RKTQMZUNNRIXIJ-UHFFFAOYSA-N -1 3 397.422 3.933 20 0 GHADHM Cc1ccc(-c2nc(-c3nccc(I)c3F)no2)c([O-])c1 ZINC001215296947 1029136879 /nfs/dbraw/zinc/13/68/79/1029136879.db2.gz HHOBKJWPKHIQIE-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM COc1cc(Br)cnc1-c1noc(-c2cc([O-])ccc2Cl)n1 ZINC001215346033 1029164373 /nfs/dbraw/zinc/16/43/73/1029164373.db2.gz YNULEIKFGXFMPU-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM Cc1noc(N(c2c(F)ccc(C)c2[O-])S(=O)(=O)c2ccc(N)cc2)c1C ZINC001215740870 1029376761 /nfs/dbraw/zinc/37/67/61/1029376761.db2.gz VGHLPBMNAURWDY-UHFFFAOYSA-N -1 3 391.424 3.554 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)(CC2CCC2)CC1 ZINC001142771184 1029416219 /nfs/dbraw/zinc/41/62/19/1029416219.db2.gz USJIQHJPCHJKIR-UHFFFAOYSA-N -1 3 378.435 3.872 20 0 GHADHM COc1ncc(Nc2ccc(N3CCCCC3)cc2C)cc1[N-]S(C)(=O)=O ZINC001216156252 1029545383 /nfs/dbraw/zinc/54/53/83/1029545383.db2.gz JRQXHOSJRCPKIZ-UHFFFAOYSA-N -1 3 390.509 3.504 20 0 GHADHM O=C(NC1CCCCC1)C1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001142870003 1029614072 /nfs/dbraw/zinc/61/40/72/1029614072.db2.gz MQGKUISEFLHBOQ-UHFFFAOYSA-N -1 3 386.517 3.908 20 0 GHADHM Cc1ncc(Nc2cc(Br)cc(C(=O)NC(C)(C)C)c2)c(=O)[n-]1 ZINC001216488013 1029660672 /nfs/dbraw/zinc/66/06/72/1029660672.db2.gz TUFDKOIXFXZOEG-UHFFFAOYSA-N -1 3 379.258 3.525 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c([O-])c1 ZINC001142984055 1029756477 /nfs/dbraw/zinc/75/64/77/1029756477.db2.gz WGCNHXDIGSBXOK-UHFFFAOYSA-N -1 3 385.416 3.648 20 0 GHADHM Cc1cc(-c2noc(-c3cc(O)ccc3[O-])n2)ccc1I ZINC001216735727 1029911868 /nfs/dbraw/zinc/91/18/68/1029911868.db2.gz SNAIUGKQDVZWMJ-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM Cc1c([O-])cc(-c2nc(-c3ccc(I)nc3)no2)cc1F ZINC001216895417 1029984801 /nfs/dbraw/zinc/98/48/01/1029984801.db2.gz QSSVJONHQJOBIZ-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM CCOc1cccc(-c2nc(-c3cc(F)c(OC4COC4)c(F)c3)no2)c1[O-] ZINC001216957057 1030030113 /nfs/dbraw/zinc/03/01/13/1030030113.db2.gz SHQBGSCZDJYEMV-UHFFFAOYSA-N -1 3 390.342 3.564 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)cc1 ZINC001217257570 1030262680 /nfs/dbraw/zinc/26/26/80/1030262680.db2.gz ZSJCUVNYUJBLJW-UHFFFAOYSA-N -1 3 383.795 3.567 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)cc1 ZINC001217257570 1030262689 /nfs/dbraw/zinc/26/26/89/1030262689.db2.gz ZSJCUVNYUJBLJW-UHFFFAOYSA-N -1 3 383.795 3.567 20 0 GHADHM CC(=O)N1CCCc2cc(-c3noc(-c4[n-]nc5c4cccc5F)n3)ccc21 ZINC001217322568 1030308551 /nfs/dbraw/zinc/30/85/51/1030308551.db2.gz BXNVPSOEOGWFEY-UHFFFAOYSA-N -1 3 377.379 3.718 20 0 GHADHM COc1nccc(-c2noc(-c3nc4cc(Br)ccc4[n-]3)n2)c1F ZINC001217324075 1030311175 /nfs/dbraw/zinc/31/11/75/1030311175.db2.gz UOMLCLGSINWOJL-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM COc1nccc(-c2noc(-c3nc4ccc(Br)cc4[n-]3)n2)c1F ZINC001217324075 1030311192 /nfs/dbraw/zinc/31/11/92/1030311192.db2.gz UOMLCLGSINWOJL-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM O=C([N-]c1cc(Cl)cc2ncoc21)c1nc2c(Cl)nc3ccccc3n2n1 ZINC001149982832 1030368871 /nfs/dbraw/zinc/36/88/71/1030368871.db2.gz BEDJBICSPUTLAM-UHFFFAOYSA-N -1 3 399.197 3.978 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4ccc(OC)cn4)no3)c1[O-])CCCC2 ZINC001217448007 1030401811 /nfs/dbraw/zinc/40/18/11/1030401811.db2.gz ZBBUAOYZTHUDCY-UHFFFAOYSA-N -1 3 395.415 3.568 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cccnc4OC(F)F)no3)c2c1 ZINC001217500092 1030442430 /nfs/dbraw/zinc/44/24/30/1030442430.db2.gz SZJZLXKKCCAJOC-UHFFFAOYSA-N -1 3 386.314 3.662 20 0 GHADHM COc1ncccc1-c1noc(-c2c([O-])cnc3ccc(Br)cc32)n1 ZINC001217500589 1030444070 /nfs/dbraw/zinc/44/40/70/1030444070.db2.gz CGEVLNKSPDFXDK-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COc1cc(-c2noc(-c3nc4nc(Cl)ccc4[n-]3)n2)cc(Cl)c1OC ZINC001217551238 1030486692 /nfs/dbraw/zinc/48/66/92/1030486692.db2.gz JBXUJQJBOCUTRH-UHFFFAOYSA-N -1 3 392.202 3.999 20 0 GHADHM COc1cc(-c2noc(-c3nc4ccc(Cl)[n-]c-4n3)n2)cc(Cl)c1OC ZINC001217551238 1030486709 /nfs/dbraw/zinc/48/67/09/1030486709.db2.gz JBXUJQJBOCUTRH-UHFFFAOYSA-N -1 3 392.202 3.999 20 0 GHADHM COc1cc(-c2noc(-c3nc4ccc(Cl)nc4[n-]3)n2)cc(Cl)c1OC ZINC001217551238 1030486723 /nfs/dbraw/zinc/48/67/23/1030486723.db2.gz JBXUJQJBOCUTRH-UHFFFAOYSA-N -1 3 392.202 3.999 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cnc(Cl)nc1Cl ZINC001151364661 1030878074 /nfs/dbraw/zinc/87/80/74/1030878074.db2.gz LQHUJYGXXFWWQG-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccn(CC)c1C(=O)OCC ZINC001151366296 1030880425 /nfs/dbraw/zinc/88/04/25/1030880425.db2.gz GVJVZQNHWISWNB-UHFFFAOYSA-N -1 3 397.431 3.595 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccc(-c2nnco2)c1 ZINC001151372598 1030884311 /nfs/dbraw/zinc/88/43/11/1030884311.db2.gz KVJNDJBEYKCQTH-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc2snnc2c(C)c1 ZINC001151374778 1030886585 /nfs/dbraw/zinc/88/65/85/1030886585.db2.gz XXQZTMQCSNASHJ-UHFFFAOYSA-N -1 3 380.429 3.910 20 0 GHADHM O=C(Nc1ccc(Br)nc1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821528 1031018237 /nfs/dbraw/zinc/01/82/37/1031018237.db2.gz RHYOCYLVNFTTLF-UHFFFAOYSA-N -1 3 396.042 3.735 20 0 GHADHM O=C(Nc1ccc(Br)nc1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821528 1031018221 /nfs/dbraw/zinc/01/82/21/1031018221.db2.gz RHYOCYLVNFTTLF-UHFFFAOYSA-N -1 3 396.042 3.735 20 0 GHADHM Cc1c2ccc(NC(=O)c3nc4cc(Br)ccc4[n-]3)cc2nn1C ZINC001151827319 1031022524 /nfs/dbraw/zinc/02/25/24/1031022524.db2.gz WRZOYTMYKYLRAG-UHFFFAOYSA-N -1 3 384.237 3.773 20 0 GHADHM Cc1c2ccc(NC(=O)c3nc4ccc(Br)cc4[n-]3)cc2nn1C ZINC001151827319 1031022545 /nfs/dbraw/zinc/02/25/45/1031022545.db2.gz WRZOYTMYKYLRAG-UHFFFAOYSA-N -1 3 384.237 3.773 20 0 GHADHM CCC(CC)(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC ZINC001151937345 1031055332 /nfs/dbraw/zinc/05/53/32/1031055332.db2.gz YNIOGVJGTWDIMM-UHFFFAOYSA-N -1 3 383.488 3.887 20 0 GHADHM CCOc1nnc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)[n-]1 ZINC001152341987 1031199491 /nfs/dbraw/zinc/19/94/91/1031199491.db2.gz HWZCAHPBMWRUGV-HNNXBMFYSA-N -1 3 390.415 3.954 20 0 GHADHM CCOc1nc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n[n-]1 ZINC001152341987 1031199513 /nfs/dbraw/zinc/19/95/13/1031199513.db2.gz HWZCAHPBMWRUGV-HNNXBMFYSA-N -1 3 390.415 3.954 20 0 GHADHM CCOc1n[n-]c(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001152341987 1031199521 /nfs/dbraw/zinc/19/95/21/1031199521.db2.gz HWZCAHPBMWRUGV-HNNXBMFYSA-N -1 3 390.415 3.954 20 0 GHADHM O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001152828648 1031370831 /nfs/dbraw/zinc/37/08/31/1031370831.db2.gz FZGLNJOLVJSGBF-ZDUSSCGKSA-N -1 3 390.434 3.856 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)c([O-])c1 ZINC001153020278 1031433098 /nfs/dbraw/zinc/43/30/98/1031433098.db2.gz SFRBTAHTHIXFDV-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM Cc1cn2c(n1)[C@H](Oc1cc(C)cc([O-])c1I)CCC2 ZINC001225512167 1031449367 /nfs/dbraw/zinc/44/93/67/1031449367.db2.gz YWQPFWRBHGETEN-GFCCVEGCSA-N -1 3 384.217 3.724 20 0 GHADHM C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001225580253 1031489351 /nfs/dbraw/zinc/48/93/51/1031489351.db2.gz VFLIZVPGRFQIQF-SNVBAGLBSA-N -1 3 391.390 3.615 20 0 GHADHM O=C1N(C2CCCC2)CCC12CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001277056625 1031492303 /nfs/dbraw/zinc/49/23/03/1031492303.db2.gz ITBUQDAOJCTCJS-UHFFFAOYSA-N -1 3 380.891 3.942 20 0 GHADHM CCOC(=O)c1cc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)[n-]n1 ZINC001153264767 1031513638 /nfs/dbraw/zinc/51/36/38/1031513638.db2.gz TUTPVXZBYHYEJP-UHFFFAOYSA-N -1 3 399.834 3.924 20 0 GHADHM CCOC(=O)c1cc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n[n-]1 ZINC001153264767 1031513646 /nfs/dbraw/zinc/51/36/46/1031513646.db2.gz TUTPVXZBYHYEJP-UHFFFAOYSA-N -1 3 399.834 3.924 20 0 GHADHM C[C@H]1C[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CCN1C(=O)OC(C)(C)C ZINC001225853273 1031653541 /nfs/dbraw/zinc/65/35/41/1031653541.db2.gz NSPOPXYUSZYDTK-UWVGGRQHSA-N -1 3 393.431 3.951 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877895 1031789018 /nfs/dbraw/zinc/78/90/18/1031789018.db2.gz IPCVCCWGWHNQLB-VXGBXAGGSA-N -1 3 377.282 3.847 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1[n-]c(=S)ncc1C1CC1)C2 ZINC001226118705 1031797074 /nfs/dbraw/zinc/79/70/74/1031797074.db2.gz HUVDSYAIHZVHJF-ZDUSSCGKSA-N -1 3 377.510 3.811 20 0 GHADHM CC(C)(Oc1[n-]c(=S)ncc1C1CC1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001226120864 1031798729 /nfs/dbraw/zinc/79/87/29/1031798729.db2.gz VGNBCVXDKKGLQG-INIZCTEOSA-N -1 3 396.468 3.910 20 0 GHADHM CC(C)(NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1)c1cc(Cl)ccn1 ZINC001153908666 1031806644 /nfs/dbraw/zinc/80/66/44/1031806644.db2.gz VEWNFOUMYGOOJU-UHFFFAOYSA-N -1 3 376.243 3.895 20 0 GHADHM CC(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)cc1 ZINC001153908639 1031807061 /nfs/dbraw/zinc/80/70/61/1031807061.db2.gz UERYVMCHXOHTLR-LLVKDONJSA-N -1 3 383.835 3.631 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001154025393 1031883210 /nfs/dbraw/zinc/88/32/10/1031883210.db2.gz MZFPIHQSTNPONB-IMFGXOCKSA-N -1 3 381.472 3.918 20 0 GHADHM CN(CCCCNC(=O)c1c(O)cc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC001154030245 1031886445 /nfs/dbraw/zinc/88/64/45/1031886445.db2.gz ADCZHVUUVOXCKU-UHFFFAOYSA-N -1 3 388.464 3.628 20 0 GHADHM Cc1ccccc1OCCC(=O)Nc1ccc(I)cc1[O-] ZINC001154100690 1031926774 /nfs/dbraw/zinc/92/67/74/1031926774.db2.gz OKXBJQBMGWIPIB-UHFFFAOYSA-N -1 3 397.212 3.713 20 0 GHADHM Cc1cccn2cc(C(=O)Nc3ccc(I)cc3[O-])cc12 ZINC001154104038 1031928057 /nfs/dbraw/zinc/92/80/57/1031928057.db2.gz LLTYZHGFAFKLDV-UHFFFAOYSA-N -1 3 392.196 3.810 20 0 GHADHM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154114289 1031934871 /nfs/dbraw/zinc/93/48/71/1031934871.db2.gz BJYZQJHKOZAPLT-HXUWFJFHSA-N -1 3 392.455 3.660 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCC(C)(C)c3c[nH]c4ccccc43)[n-]c2c1 ZINC001154120656 1031937252 /nfs/dbraw/zinc/93/72/52/1031937252.db2.gz PQYKRPWOHBYROW-UHFFFAOYSA-N -1 3 389.455 3.726 20 0 GHADHM CC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1cc(OC)c(OC)c(OC)c1 ZINC001226485519 1031977009 /nfs/dbraw/zinc/97/70/09/1031977009.db2.gz OTKZUITYMTUVJY-OAHLLOKOSA-N -1 3 376.405 3.856 20 0 GHADHM CC(=O)N1CCC[C@@H](Oc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC001226490024 1031980332 /nfs/dbraw/zinc/98/03/32/1031980332.db2.gz NGFNOMNQUWJXJJ-MRXNPFEDSA-N -1 3 379.412 3.555 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C(=O)c3ccccn3)c3ccccn3)cc12 ZINC001226531727 1031997725 /nfs/dbraw/zinc/99/77/25/1031997725.db2.gz FXRNBGXGINIZGB-QFIPXVFZSA-N -1 3 388.379 3.600 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ncc(-c3ccc(F)cc3)s2)c([O-])c1 ZINC001154292498 1032026427 /nfs/dbraw/zinc/02/64/27/1032026427.db2.gz WQHQGZAMLRGPLN-UHFFFAOYSA-N -1 3 399.447 3.722 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226594761 1032030820 /nfs/dbraw/zinc/03/08/20/1032030820.db2.gz APHUICMSFQTLLC-BTYIYWSLSA-N -1 3 387.432 3.667 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C(F)(F)C1 ZINC001226597245 1032031888 /nfs/dbraw/zinc/03/18/88/1032031888.db2.gz RVWGNYDITQOLKI-ZDUSSCGKSA-N -1 3 397.374 3.522 20 0 GHADHM CC(C)[C@@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccnn1C ZINC001154311470 1032037059 /nfs/dbraw/zinc/03/70/59/1032037059.db2.gz UNKKTXZAEAKKPC-HXUWFJFHSA-N -1 3 377.488 3.886 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H]3N(C)CCCC3(C)C)n2)cc1 ZINC001156873311 1033295061 /nfs/dbraw/zinc/29/50/61/1033295061.db2.gz KMNUNOQAAXBEPO-LJQANCHMSA-N -1 3 384.524 3.552 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2cccc([O-])c2Br)C1 ZINC001229139963 1033302834 /nfs/dbraw/zinc/30/28/34/1033302834.db2.gz PNVUVXWTOSKFJO-CYBMUJFWSA-N -1 3 384.270 3.933 20 0 GHADHM COc1ccc(-c2cc(=O)c3c(cc([O-])c(OC)c3O[C@H](C)CN(C)C)o2)cc1 ZINC001229211576 1033345854 /nfs/dbraw/zinc/34/58/54/1033345854.db2.gz FFALFUJDHLIMNM-CYBMUJFWSA-N -1 3 399.443 3.512 20 0 GHADHM S=c1nc(O[C@H]2CCCC3(C2)OCCO3)c2c3c(sc2[n-]1)CCCC3 ZINC001229287465 1033392371 /nfs/dbraw/zinc/39/23/71/1033392371.db2.gz HXOVMMSJGALPCM-NSHDSACASA-N -1 3 378.519 3.923 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001157233776 1033485383 /nfs/dbraw/zinc/48/53/83/1033485383.db2.gz KVZINYXAFRNFRT-YUMQZZPRSA-N -1 3 380.292 3.823 20 0 GHADHM Cc1c2occ(CC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c2ccc1Cl ZINC001157243933 1033488755 /nfs/dbraw/zinc/48/87/55/1033488755.db2.gz SXPPROMUXCRLAF-MRVPVSSYSA-N -1 3 386.761 3.951 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2Oc1nc(=S)[n-]c2sccc21 ZINC001229570177 1033562897 /nfs/dbraw/zinc/56/28/97/1033562897.db2.gz PYMGQRJWKMMILW-IAZYJMLFSA-N -1 3 379.507 3.614 20 0 GHADHM O=C1C[C@H]2C[C@@H](Oc3nc(=S)[n-]c4sccc43)[C@@H](C1)N2Cc1ccccc1 ZINC001229568044 1033563063 /nfs/dbraw/zinc/56/30/63/1033563063.db2.gz VAPDLDNWYUOBDY-IAOVAPTHSA-N -1 3 397.525 3.733 20 0 GHADHM O=C(CN1CCC(Oc2nc(=S)[n-]c3sccc32)CC1)c1cccs1 ZINC001229570837 1033564620 /nfs/dbraw/zinc/56/46/20/1033564620.db2.gz UKPNPUCOPCXTLI-UHFFFAOYSA-N -1 3 391.543 3.768 20 0 GHADHM FC(F)(F)[C@H]([N-]c1nc2ccsc2c(N2CCOCC2)n1)c1ccccn1 ZINC001157684659 1033721983 /nfs/dbraw/zinc/72/19/83/1033721983.db2.gz OEAKOBNWUKRJSU-CQSZACIVSA-N -1 3 395.410 3.638 20 0 GHADHM COc1ccccc1[C@@H](C)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230189384 1033936113 /nfs/dbraw/zinc/93/61/13/1033936113.db2.gz QNJCQFMTOPVXSY-MRXNPFEDSA-N -1 3 391.471 3.889 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(F)cc2cccnc21 ZINC001158345035 1034037143 /nfs/dbraw/zinc/03/71/43/1034037143.db2.gz JHQOQZYMLBIXOM-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc(F)cc2cccnc21 ZINC001158345035 1034037149 /nfs/dbraw/zinc/03/71/49/1034037149.db2.gz JHQOQZYMLBIXOM-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1ccc([O-])c(Br)c1 ZINC001230418596 1034043477 /nfs/dbraw/zinc/04/34/77/1034043477.db2.gz OUUJSFPGHFOTSU-JTQLQIEISA-N -1 3 377.229 3.779 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)NC2CC3(CCC3)C2)c2ccccc21)C(F)(F)F ZINC001230561747 1034122855 /nfs/dbraw/zinc/12/28/55/1034122855.db2.gz BFAWUHPJHGLFOW-ZDUSSCGKSA-N -1 3 395.425 3.701 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1[n-]c(=O)nc3cccc(F)c31)C2 ZINC001231075274 1034380558 /nfs/dbraw/zinc/38/05/58/1034380558.db2.gz ZKKZQTJYXTZGSF-GFCCVEGCSA-N -1 3 389.427 3.643 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3c[nH]c(Br)c3)n[n-]2)cc1 ZINC001159364423 1034566418 /nfs/dbraw/zinc/56/64/18/1034566418.db2.gz ZYPZQSPTTMZRAX-UHFFFAOYSA-N -1 3 392.282 3.748 20 0 GHADHM CCOC(=O)c1c(N)n(-c2cc(F)c([O-])cc2F)c2c1cc(F)cc2NC ZINC001159408654 1034585765 /nfs/dbraw/zinc/58/57/65/1034585765.db2.gz HODVGZWVWPUVGS-UHFFFAOYSA-N -1 3 379.338 3.554 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC3(CCN(CC4CCCC4)C3=O)CC2)c1 ZINC001231458980 1034602819 /nfs/dbraw/zinc/60/28/19/1034602819.db2.gz FOJLKNDYRVTXOU-UHFFFAOYSA-N -1 3 388.483 3.529 20 0 GHADHM CC(=O)c1cccc(OCC(=O)Nc2c([O-])ccc(Br)c2C)c1 ZINC001159551373 1034659105 /nfs/dbraw/zinc/65/91/05/1034659105.db2.gz LSXUJRXKFGPZRG-UHFFFAOYSA-N -1 3 378.222 3.683 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523648 1034675060 /nfs/dbraw/zinc/67/50/60/1034675060.db2.gz UBDBPGVPXJAUQV-DZGCQCFKSA-N -1 3 386.414 3.852 20 0 GHADHM [O-]c1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1C(F)(F)F ZINC001231524002 1034677387 /nfs/dbraw/zinc/67/73/87/1034677387.db2.gz DYTTWSKGVFXJTD-UHFFFAOYSA-N -1 3 395.425 3.940 20 0 GHADHM CCOC(=O)c1coc(C2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)n1 ZINC001231525446 1034678337 /nfs/dbraw/zinc/67/83/37/1034678337.db2.gz FDTGMNUDWQYLRT-UHFFFAOYSA-N -1 3 398.381 3.955 20 0 GHADHM NC(=O)c1ccc(OC2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)cc1 ZINC001231525847 1034678625 /nfs/dbraw/zinc/67/86/25/1034678625.db2.gz IQGXCSWWVAUIRG-UHFFFAOYSA-N -1 3 394.393 3.553 20 0 GHADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N(C)C)cc1 ZINC001207973812 1034687673 /nfs/dbraw/zinc/68/76/73/1034687673.db2.gz LSTUCYLRNONGOM-INIZCTEOSA-N -1 3 384.904 3.623 20 0 GHADHM CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277547638 1034815728 /nfs/dbraw/zinc/81/57/28/1034815728.db2.gz IWAUQVGJPYKKRY-HNNXBMFYSA-N -1 3 395.341 3.673 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CC2(C1)CN(c1ccccc1)C2=O ZINC001231680109 1034830324 /nfs/dbraw/zinc/83/03/24/1034830324.db2.gz WCPPUJPEJOUIDK-UHFFFAOYSA-N -1 3 398.462 3.901 20 0 GHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N1CCC(C)CC1 ZINC001208337689 1034863016 /nfs/dbraw/zinc/86/30/16/1034863016.db2.gz OTZKURZWZYHUSA-HNNXBMFYSA-N -1 3 394.915 3.653 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(Cl)c([O-])c2)C2COC2)CC1 ZINC001231737941 1034871878 /nfs/dbraw/zinc/87/18/78/1034871878.db2.gz YXCOHBQAZLCXIZ-UHFFFAOYSA-N -1 3 396.915 3.646 20 0 GHADHM COc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)cc1C(=O)[O-] ZINC001231749334 1034879817 /nfs/dbraw/zinc/87/98/17/1034879817.db2.gz ACVKMYRLQHODMW-HOCLYGCPSA-N -1 3 392.496 3.519 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001208477637 1034910480 /nfs/dbraw/zinc/91/04/80/1034910480.db2.gz TUWJRCWIQFUSRF-ZDUSSCGKSA-N -1 3 376.478 3.859 20 0 GHADHM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC001208531443 1034926176 /nfs/dbraw/zinc/92/61/76/1034926176.db2.gz VHTVEVUMWAEPCO-ODCWNRFASA-N -1 3 396.534 3.526 20 0 GHADHM CN(C)C[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1ccc(F)cc1 ZINC001160517951 1034993298 /nfs/dbraw/zinc/99/32/98/1034993298.db2.gz CMDZWMUKGQWHTD-IBGZPJMESA-N -1 3 396.418 3.637 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2[O-])N(C)C)cc1 ZINC001160750256 1035055389 /nfs/dbraw/zinc/05/53/89/1035055389.db2.gz NVTQCTUFJXTBIF-IBGZPJMESA-N -1 3 376.447 3.902 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001161281043 1035200938 /nfs/dbraw/zinc/20/09/38/1035200938.db2.gz UDADBRYQNPZDCU-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001161281043 1035200943 /nfs/dbraw/zinc/20/09/43/1035200943.db2.gz UDADBRYQNPZDCU-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cccc(Br)c1F ZINC001209469856 1035284103 /nfs/dbraw/zinc/28/41/03/1035284103.db2.gz RZYCSBCAJKETPR-CYBMUJFWSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(Br)c1F ZINC001209663205 1035347063 /nfs/dbraw/zinc/34/70/63/1035347063.db2.gz LQCVAQFQWNVZSN-IJLUTSLNSA-N -1 3 376.291 3.835 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001248248806 1035696503 /nfs/dbraw/zinc/69/65/03/1035696503.db2.gz FUFHYLJFFFFZOV-HNNXBMFYSA-N -1 3 382.807 3.993 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001248250268 1035699447 /nfs/dbraw/zinc/69/94/47/1035699447.db2.gz TVHASSUCDDDKMI-LBPRGKRZSA-N -1 3 384.745 3.752 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)CCc3c(C)nc[n-]c3=O)cn2)c1 ZINC001248663905 1036037580 /nfs/dbraw/zinc/03/75/80/1036037580.db2.gz KZUGAMKCBQXQQG-UHFFFAOYSA-N -1 3 392.459 3.544 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243582426 1036210680 /nfs/dbraw/zinc/21/06/80/1036210680.db2.gz SGHZJCWCNKWFOG-GOSISDBHSA-N -1 3 386.835 3.904 20 0 GHADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2cc(N3CCOCC3)ccc21 ZINC001244458384 1036509657 /nfs/dbraw/zinc/50/96/57/1036509657.db2.gz JNRAYZRNVOMWRY-UHFFFAOYSA-N -1 3 391.349 3.738 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001245164599 1036792782 /nfs/dbraw/zinc/79/27/82/1036792782.db2.gz LZLKKERNBCBFGL-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001245164599 1036792792 /nfs/dbraw/zinc/79/27/92/1036792792.db2.gz LZLKKERNBCBFGL-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245426216 1036919697 /nfs/dbraw/zinc/91/96/97/1036919697.db2.gz BJGYQBHPSPCRGO-KSSFIOAISA-N -1 3 382.426 3.694 20 0 GHADHM COc1cccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1Br ZINC001247564882 1038250198 /nfs/dbraw/zinc/25/01/98/1038250198.db2.gz QFBAWIJORYJTNO-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=C1NC[C@@H](c2ccccc2)[C@]12CCN(Cc1ccc(Cl)c([O-])c1Cl)C2 ZINC001232626528 1038413509 /nfs/dbraw/zinc/41/35/09/1038413509.db2.gz QOLSQPIJKWUEJJ-MGPUTAFESA-N -1 3 391.298 3.805 20 0 GHADHM [O-]c1c(Cl)ccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001232625355 1038414166 /nfs/dbraw/zinc/41/41/66/1038414166.db2.gz BWIRFSCFAQSURN-BETUJISGSA-N -1 3 384.332 3.719 20 0 GHADHM Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccc([O-])c2Cl)cs1 ZINC001232787630 1038554422 /nfs/dbraw/zinc/55/44/22/1038554422.db2.gz PQKXSIYORNWZMV-HZPDHXFCSA-N -1 3 391.924 3.576 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1I ZINC001232870233 1038634676 /nfs/dbraw/zinc/63/46/76/1038634676.db2.gz LFVDZHOQUOJOCU-SNVBAGLBSA-N -1 3 385.167 3.771 20 0 GHADHM [O-]c1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1I ZINC001232872840 1038640636 /nfs/dbraw/zinc/64/06/36/1038640636.db2.gz KRROIUWFTVRYOO-HNNXBMFYSA-N -1 3 395.240 3.650 20 0 GHADHM O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1 ZINC001232936708 1038717035 /nfs/dbraw/zinc/71/70/35/1038717035.db2.gz UYYGLVPPOIONEM-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM [O-]c1cc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cc(F)c1F ZINC001232970369 1038742510 /nfs/dbraw/zinc/74/25/10/1038742510.db2.gz PYOGXWJUUXESNB-QGZVFWFLSA-N -1 3 381.463 3.716 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001233036803 1038790755 /nfs/dbraw/zinc/79/07/55/1038790755.db2.gz WGHGTNBMECANCH-HXUWFJFHSA-N -1 3 375.875 3.820 20 0 GHADHM COC(Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)OC ZINC001252043125 1038827568 /nfs/dbraw/zinc/82/75/68/1038827568.db2.gz HEXUCLHZZZSRRM-UHFFFAOYSA-N -1 3 377.506 3.946 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1 ZINC001252184766 1038900750 /nfs/dbraw/zinc/90/07/50/1038900750.db2.gz XKJLGNGTRWCJKU-UHFFFAOYSA-N -1 3 390.505 3.863 20 0 GHADHM CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1=O ZINC001233395201 1039230872 /nfs/dbraw/zinc/23/08/72/1039230872.db2.gz PNGNFWUAKFBMPK-QFIPXVFZSA-N -1 3 386.442 3.817 20 0 GHADHM COc1ccc(CN2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(Cl)c1[O-] ZINC001233398294 1039235355 /nfs/dbraw/zinc/23/53/55/1039235355.db2.gz GRUKXGIGQWPZBK-UKRRQHHQSA-N -1 3 396.915 3.886 20 0 GHADHM Cc1ccc(OC[C@@H](O)CNc2cc(Br)cc(Cl)c2[O-])cc1 ZINC001253837717 1039846872 /nfs/dbraw/zinc/84/68/72/1039846872.db2.gz MIFPYNYUQZSRJG-LBPRGKRZSA-N -1 3 386.673 3.968 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2c(Cl)ccc([O-])c2F)[C@H]2OCCC[C@H]21 ZINC001234263699 1039944571 /nfs/dbraw/zinc/94/45/71/1039944571.db2.gz HGJQCQFVIJPADN-FFSVYQOJSA-N -1 3 387.835 3.730 20 0 GHADHM CO[C@@H](C)CO[C@@H](C)COc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380511 1039991830 /nfs/dbraw/zinc/99/18/30/1039991830.db2.gz DYRPBSMPUIFSCF-GJZGRUSLSA-N -1 3 384.428 3.984 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C ZINC001254161195 1040014312 /nfs/dbraw/zinc/01/43/12/1040014312.db2.gz RACOUALAPFJWCY-UHFFFAOYSA-N -1 3 379.453 3.955 20 0 GHADHM COC(Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1)OC ZINC001254167006 1040021152 /nfs/dbraw/zinc/02/11/52/1040021152.db2.gz ZTYPTYVWNUXURR-UHFFFAOYSA-N -1 3 377.506 3.882 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2c([O-])cc(Cl)cc2F)C1 ZINC001234445396 1040039826 /nfs/dbraw/zinc/03/98/26/1040039826.db2.gz ZETKFVBJLOANNP-LBPRGKRZSA-N -1 3 375.824 3.590 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)c1cnn(C)c1C ZINC001234606423 1040162879 /nfs/dbraw/zinc/16/28/79/1040162879.db2.gz BNBLAAWIPMLVSX-SNVBAGLBSA-N -1 3 383.242 3.513 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001254310487 1040163039 /nfs/dbraw/zinc/16/30/39/1040163039.db2.gz RKAUPGJFENFBGO-LBPRGKRZSA-N -1 3 384.301 3.682 20 0 GHADHM CCCCOC[C@H](C)Oc1c([O-])c(Br)ccc1C(=O)OCC ZINC001234608585 1040166905 /nfs/dbraw/zinc/16/69/05/1040166905.db2.gz LWJQRFBCAWMTMN-NSHDSACASA-N -1 3 375.259 3.915 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3cnccc3c2Cl)c1 ZINC001254436261 1040230910 /nfs/dbraw/zinc/23/09/10/1040230910.db2.gz XNVGPWPCKNKNPJ-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM CCN1CCC[C@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)C1 ZINC001234725217 1040253137 /nfs/dbraw/zinc/25/31/37/1040253137.db2.gz BQVSMTIKOSOEGR-HNNXBMFYSA-N -1 3 381.428 3.734 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)OC)cc2)cc1 ZINC001255217469 1040911129 /nfs/dbraw/zinc/91/11/29/1040911129.db2.gz NARXGYGKLPEPFT-UHFFFAOYSA-N -1 3 375.490 3.936 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Br)c1ccccc1F ZINC001255424126 1041018632 /nfs/dbraw/zinc/01/86/32/1041018632.db2.gz KNBCCJXOGJLQJG-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255654947 1041196755 /nfs/dbraw/zinc/19/67/55/1041196755.db2.gz WSYNVFJMHXLZPB-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1nc2cc(CN3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)ccc2s1 ZINC001235858754 1041388306 /nfs/dbraw/zinc/38/83/06/1041388306.db2.gz OGSJBVCLJPZGPP-HNNXBMFYSA-N -1 3 375.494 3.620 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1)c1ccc(F)cc1F ZINC001256119530 1041551940 /nfs/dbraw/zinc/55/19/40/1041551940.db2.gz XYVDBZWWCKQAGG-GOSISDBHSA-N -1 3 381.444 3.801 20 0 GHADHM CCN(CC)C(=O)c1cc(-c2ccc3[n-]c(C(=O)OC)nc3n2)ccc1Cl ZINC001236146162 1041569722 /nfs/dbraw/zinc/56/97/22/1041569722.db2.gz CXRJMNXKMZRBLQ-UHFFFAOYSA-N -1 3 386.839 3.547 20 0 GHADHM CCN(CC)C(=O)c1cc(-c2ccc3nc(C(=O)OC)nc-3[n-]2)ccc1Cl ZINC001236146162 1041569732 /nfs/dbraw/zinc/56/97/32/1041569732.db2.gz CXRJMNXKMZRBLQ-UHFFFAOYSA-N -1 3 386.839 3.547 20 0 GHADHM CCN(CC)C(=O)c1cc(-c2ccc3nc(C(=O)OC)[n-]c3n2)ccc1Cl ZINC001236146162 1041569744 /nfs/dbraw/zinc/56/97/44/1041569744.db2.gz CXRJMNXKMZRBLQ-UHFFFAOYSA-N -1 3 386.839 3.547 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)c(C)cc1Cl ZINC001256139658 1041576126 /nfs/dbraw/zinc/57/61/26/1041576126.db2.gz CXIKDRYQPFEGFJ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC(C)(CC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC001256382824 1041714465 /nfs/dbraw/zinc/71/44/65/1041714465.db2.gz YNQJVBPCKNVEBL-UHFFFAOYSA-N -1 3 384.517 3.810 20 0 GHADHM O=C1CCC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)N1CC1CC1 ZINC001236683672 1041829726 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CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)c([O-])c2)CC12CC2 ZINC001236698851 1041839661 /nfs/dbraw/zinc/83/96/61/1041839661.db2.gz NFZGCBYUXVUYDC-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(F)c([O-])c2)C[C@H]1C(F)(F)F ZINC001236709381 1041846084 /nfs/dbraw/zinc/84/60/84/1041846084.db2.gz YFTFDJYZKFEHGI-TZMCWYRMSA-N -1 3 392.393 3.809 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4sc(=O)[n-]c4Cl)C3)CC2=O)s1 ZINC001237150738 1042065408 /nfs/dbraw/zinc/06/54/08/1042065408.db2.gz RENHDJGYZDDXDD-INIZCTEOSA-N -1 3 383.926 3.501 20 0 GHADHM Cc1cccc(N2CCC[C@]3(CN(Cc4sc(=O)[n-]c4Cl)CCO3)C2)c1 ZINC001237150397 1042065892 /nfs/dbraw/zinc/06/58/92/1042065892.db2.gz PKQACNUIPZYNBJ-IBGZPJMESA-N -1 3 393.940 3.682 20 0 GHADHM CCC[C@H]1CN(Cc2sc(=O)[n-]c2Cl)CCN1C(=O)OC(C)(C)C ZINC001237168986 1042076291 /nfs/dbraw/zinc/07/62/91/1042076291.db2.gz LOILDIMTWNVLGK-NSHDSACASA-N -1 3 375.922 3.724 20 0 GHADHM O=C(c1ccc(Cl)cc1)N1CCCN(Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237170703 1042077406 /nfs/dbraw/zinc/07/74/06/1042077406.db2.gz YYIHESVCAFHSNU-UHFFFAOYSA-N -1 3 386.304 3.504 20 0 GHADHM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1cc([O-])cc(F)c1)C2 ZINC001237280909 1042120907 /nfs/dbraw/zinc/12/09/07/1042120907.db2.gz QDLKDUYSJJOGLI-UHFFFAOYSA-N -1 3 378.451 3.652 20 0 GHADHM [O-]c1c(Cl)nc(Cl)cc1CN1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237521965 1042248435 /nfs/dbraw/zinc/24/84/35/1042248435.db2.gz GILDPXUYVVBEIS-DGCLKSJQSA-N -1 3 399.347 3.647 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001237977742 1042442450 /nfs/dbraw/zinc/44/24/50/1042442450.db2.gz NBNKBXBSJBGVIJ-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM CN1C(=O)C2(CCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)[C@@H]1c1ccccc1 ZINC001237992418 1042447499 /nfs/dbraw/zinc/44/74/99/1042447499.db2.gz PJLULQXQICTBNY-IBGZPJMESA-N -1 3 388.870 3.980 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)cc(C)c2N)c(C)c1 ZINC001238007585 1042456085 /nfs/dbraw/zinc/45/60/85/1042456085.db2.gz CESVXRBAFFKBRX-UHFFFAOYSA-N -1 3 399.310 3.766 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4ccc(F)cc4C(=O)[O-])C3)CC2=O)s1 ZINC001238231606 1042527034 /nfs/dbraw/zinc/52/70/34/1042527034.db2.gz CLOCVXSZGQRIMI-FQEVSTJZSA-N -1 3 388.464 3.523 20 0 GHADHM C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233229 1042527417 /nfs/dbraw/zinc/52/74/17/1042527417.db2.gz JVDAIOBFMRHQHC-ZIAGYGMSSA-N -1 3 380.460 3.649 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](Oc2cccc(Br)c2)C1 ZINC001238244738 1042530263 /nfs/dbraw/zinc/53/02/63/1042530263.db2.gz MEVDBTYKUDKONY-MRXNPFEDSA-N -1 3 394.240 3.940 20 0 GHADHM CCOC(=O)C[C@H]1CCN(Cc2c(Br)ccc([O-])c2F)C[C@H]1C ZINC001238313578 1042552629 /nfs/dbraw/zinc/55/26/29/1042552629.db2.gz WWQQJDVEOMPDJX-VXGBXAGGSA-N -1 3 388.277 3.705 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001291691191 1043395673 /nfs/dbraw/zinc/39/56/73/1043395673.db2.gz CLBUWNSYAGOUPM-UHFFFAOYSA-N -1 3 399.397 3.587 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CCOCC1)c1ccc(Cl)s1 ZINC001256548421 1043510828 /nfs/dbraw/zinc/51/08/28/1043510828.db2.gz RPMKJQHFMQUWGJ-UHFFFAOYSA-N -1 3 375.874 3.525 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001292130865 1043600261 /nfs/dbraw/zinc/60/02/61/1043600261.db2.gz WILJRWQHALEFJF-UHFFFAOYSA-N -1 3 380.322 3.824 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc3oc(=S)[n-]c3c2)N2CCCC2)cc1 ZINC001292377504 1043709863 /nfs/dbraw/zinc/70/98/63/1043709863.db2.gz DAXPNKAXINTATF-GOSISDBHSA-N -1 3 381.501 3.992 20 0 GHADHM O=S(=O)([N-][C@H](CO)Cc1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC001257284513 1043956032 /nfs/dbraw/zinc/95/60/32/1043956032.db2.gz KFIZKNXJXLEJFS-LBPRGKRZSA-N -1 3 394.707 3.529 20 0 GHADHM CCOC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001257288504 1043958128 /nfs/dbraw/zinc/95/81/28/1043958128.db2.gz HSEVYDUBBSGJKE-HAQNSBGRSA-N -1 3 394.320 3.641 20 0 GHADHM O=S(=O)([N-]Cc1cn(Cc2ccccc2)cn1)c1cccc(Cl)c1Cl ZINC001257299798 1043960252 /nfs/dbraw/zinc/96/02/52/1043960252.db2.gz ANINPUCEWYQKMY-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1 ZINC001257305888 1043961173 /nfs/dbraw/zinc/96/11/73/1043961173.db2.gz FIVYPDJPNOUUDH-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)o2)cc1 ZINC001257341012 1043968013 /nfs/dbraw/zinc/96/80/13/1043968013.db2.gz GBLUXCHYUUEOLQ-CABCVRRESA-N -1 3 387.436 3.827 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(Cl)s1 ZINC001257557035 1044041319 /nfs/dbraw/zinc/04/13/19/1044041319.db2.gz SBCCJVSMNWGUBR-UHFFFAOYSA-N -1 3 380.274 3.951 20 0 GHADHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC001257661529 1044106640 /nfs/dbraw/zinc/10/66/40/1044106640.db2.gz HKKYLXGSSOAAKU-CYBMUJFWSA-N -1 3 386.300 3.838 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1c(Cl)cccc1Cl ZINC001257672870 1044111966 /nfs/dbraw/zinc/11/19/66/1044111966.db2.gz SXZANGPKVJDZTO-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM C[C@@H](CCc1cccn1C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001293451899 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Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@H]2CCCO2)c(C)c1 ZINC001259101471 1044962140 /nfs/dbraw/zinc/96/21/40/1044962140.db2.gz GDDSRYMSGOJQMM-OAHLLOKOSA-N -1 3 379.453 3.801 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2OC)c(Cl)cc1Cl ZINC001259301304 1045064868 /nfs/dbraw/zinc/06/48/68/1045064868.db2.gz YWHXQZPHHAEVMX-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2nccs2)cc1)c1ccc2c(c1)OCCO2 ZINC001259344630 1045091853 /nfs/dbraw/zinc/09/18/53/1045091853.db2.gz GQAMRLWBLHKZFQ-UHFFFAOYSA-N -1 3 390.442 3.507 20 0 GHADHM CCc1cc(Br)cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC001259356540 1045096520 /nfs/dbraw/zinc/09/65/20/1045096520.db2.gz IKAJXCOXPNBDSC-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC001259406881 1045129514 /nfs/dbraw/zinc/12/95/14/1045129514.db2.gz DGQPOUWMVNVQBA-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1F ZINC001259407451 1045129632 /nfs/dbraw/zinc/12/96/32/1045129632.db2.gz ZMVNOEQBDXILRF-UHFFFAOYSA-N -1 3 399.415 3.648 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)Nc2cccc([O-])c2Br)cc1 ZINC001259408079 1045130813 /nfs/dbraw/zinc/13/08/13/1045130813.db2.gz SXJABMYPXJQAJQ-UHFFFAOYSA-N -1 3 386.267 3.743 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cc1OCC ZINC001259431353 1045148797 /nfs/dbraw/zinc/14/87/97/1045148797.db2.gz HZYPRLGGVNPUQB-UHFFFAOYSA-N -1 3 387.404 3.886 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1cc(Cl)ccc1F ZINC001259459907 1045175434 /nfs/dbraw/zinc/17/54/34/1045175434.db2.gz HLYSVHVYNDQUIF-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1F ZINC001259470714 1045184110 /nfs/dbraw/zinc/18/41/10/1045184110.db2.gz GKWGZPSZOJWPKB-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Br)n1 ZINC001259495604 1045203715 /nfs/dbraw/zinc/20/37/15/1045203715.db2.gz RRBXGMYMEDXPOJ-UHFFFAOYSA-N -1 3 395.200 3.679 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC001259502070 1045207711 /nfs/dbraw/zinc/20/77/11/1045207711.db2.gz GXTKMMHJYROVHA-UHFFFAOYSA-N -1 3 379.787 3.505 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(Cl)cc2C1)c1cc(F)c(F)c(F)c1 ZINC001259503720 1045207804 /nfs/dbraw/zinc/20/78/04/1045207804.db2.gz LUXOEGWUJOEOTC-GFCCVEGCSA-N -1 3 375.799 3.593 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Br)c1ccc(Cl)cc1F ZINC001259515067 1045216052 /nfs/dbraw/zinc/21/60/52/1045216052.db2.gz FCRVJDOHDABVBP-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCC[C@H](C(=O)Nc1ccc(I)cc1[O-])c1ccccn1 ZINC001296291885 1045296439 /nfs/dbraw/zinc/29/64/39/1045296439.db2.gz UORWFIKWEHSTDZ-LBPRGKRZSA-N -1 3 396.228 3.914 20 0 GHADHM COc1ccc(-c2ccccc2[N-]S(=O)(=O)CCc2cccc(F)c2)nc1 ZINC001259774056 1045298247 /nfs/dbraw/zinc/29/82/47/1045298247.db2.gz CSIJKDDKTOQHLT-UHFFFAOYSA-N -1 3 386.448 3.881 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001296363304 1045304330 /nfs/dbraw/zinc/30/43/30/1045304330.db2.gz YZJQFJSXABQVFQ-OAHLLOKOSA-N -1 3 380.444 3.753 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1Cl ZINC001259861365 1045322041 /nfs/dbraw/zinc/32/20/41/1045322041.db2.gz GQPWYMRZZXYWMP-UHFFFAOYSA-N -1 3 379.865 3.841 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)nc1C ZINC001260028467 1045362874 /nfs/dbraw/zinc/36/28/74/1045362874.db2.gz RBOHIDYYNFJHKS-UHFFFAOYSA-N -1 3 379.791 3.708 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2Br)c2ccncc12 ZINC001260087643 1045378544 /nfs/dbraw/zinc/37/85/44/1045378544.db2.gz WYFGSGVPSQFQIB-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM C[C@@H](Nc1ncnc2ccc(Br)cc21)c1nc(C(F)(F)F)n[n-]1 ZINC001307218843 1045383839 /nfs/dbraw/zinc/38/38/39/1045383839.db2.gz CXFDJCDAXNLYGY-ZCFIWIBFSA-N -1 3 387.163 3.702 20 0 GHADHM CN(CCO)Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1Cl ZINC001296860163 1045390159 /nfs/dbraw/zinc/39/01/59/1045390159.db2.gz XDECYYCEYYGORC-UHFFFAOYSA-N -1 3 390.892 3.937 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCCC2)c1)c1ccc(Oc2ccccn2)cc1 ZINC001260140601 1045393668 /nfs/dbraw/zinc/39/36/68/1045393668.db2.gz DLDVDKZOTAPETP-UHFFFAOYSA-N -1 3 396.472 3.670 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)cc1CO ZINC001260246654 1045426455 /nfs/dbraw/zinc/42/64/55/1045426455.db2.gz GFSIXRXTVUHEPV-UHFFFAOYSA-N -1 3 389.517 3.927 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccccc3CO)c1C)CC(C)(C)O2 ZINC001260246919 1045426523 /nfs/dbraw/zinc/42/65/23/1045426523.db2.gz MOLLCKPSTBDJDN-UHFFFAOYSA-N -1 3 375.490 3.618 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3cccc(CO)c3C)c1C)CC(C)(C)O2 ZINC001260246725 1045426892 /nfs/dbraw/zinc/42/68/92/1045426892.db2.gz JHBXEDFQQONQGA-UHFFFAOYSA-N -1 3 389.517 3.927 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260279042 1045440509 /nfs/dbraw/zinc/44/05/09/1045440509.db2.gz JGTXFAIMWBYCSF-UHFFFAOYSA-N -1 3 381.187 3.670 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c(Cl)c1 ZINC001260286572 1045444552 /nfs/dbraw/zinc/44/45/52/1045444552.db2.gz ULHTUHWCBVWUMT-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1[O-] ZINC001260315768 1045456588 /nfs/dbraw/zinc/45/65/88/1045456588.db2.gz CEUQUSSAJOQELR-UHFFFAOYSA-N -1 3 396.679 3.840 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1F ZINC001260380228 1045483815 /nfs/dbraw/zinc/48/38/15/1045483815.db2.gz YJGFEWMXFFKWSG-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2sccc21)c1ccc(Br)cc1F ZINC001260382463 1045484801 /nfs/dbraw/zinc/48/48/01/1045484801.db2.gz OZONLGYZIVRNMW-LLVKDONJSA-N -1 3 376.272 3.616 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CCC(F)(F)CC1)c1cccc2nonc21 ZINC001260445065 1045497033 /nfs/dbraw/zinc/49/70/33/1045497033.db2.gz NYOCQDKCHHQUFQ-UHFFFAOYSA-N -1 3 393.415 3.606 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cc4ccccn4)cc3)ccc2o1 ZINC001260452820 1045498537 /nfs/dbraw/zinc/49/85/37/1045498537.db2.gz ZDPRPRNCDVBMKR-UHFFFAOYSA-N -1 3 392.436 3.580 20 0 GHADHM Cn1c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1C(F)(F)F ZINC001260472289 1045508316 /nfs/dbraw/zinc/50/83/16/1045508316.db2.gz VYBIVOYLEIHWPG-UHFFFAOYSA-N -1 3 393.239 3.891 20 0 GHADHM Cc1cccc([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC001260560692 1045549327 /nfs/dbraw/zinc/54/93/27/1045549327.db2.gz HNLJQMIWBDTDHC-CQSZACIVSA-N -1 3 394.707 3.967 20 0 GHADHM Cc1ccc([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC001260560966 1045550002 /nfs/dbraw/zinc/55/00/02/1045550002.db2.gz QMJNKGCACMWSEE-CQSZACIVSA-N -1 3 394.707 3.967 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1Br ZINC001260649941 1045591352 /nfs/dbraw/zinc/59/13/52/1045591352.db2.gz OLLDQWIISSPBLH-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=C(OC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl)N1CCCCC1 ZINC001297639356 1045594754 /nfs/dbraw/zinc/59/47/54/1045594754.db2.gz HGSKSAKYPWMFFG-AWEZNQCLSA-N -1 3 380.872 3.663 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)cnc2Cl)ccc1F ZINC001260755051 1045638505 /nfs/dbraw/zinc/63/85/05/1045638505.db2.gz JFXXNQGEYOVDOA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCc1ccccc1 ZINC001260836265 1045704024 /nfs/dbraw/zinc/70/40/24/1045704024.db2.gz RQEIYAJZPFOOTB-SFHVURJKSA-N -1 3 395.908 3.527 20 0 GHADHM CC1CC(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001260882479 1045740756 /nfs/dbraw/zinc/74/07/56/1045740756.db2.gz MUEOLCCKUDYTKH-UHFFFAOYSA-N -1 3 386.233 3.792 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC001260917711 1045771464 /nfs/dbraw/zinc/77/14/64/1045771464.db2.gz HOPNSJGSRQSQBF-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(F)c1 ZINC001260977422 1045793293 /nfs/dbraw/zinc/79/32/93/1045793293.db2.gz BBGNJQSKGGOWFK-UHFFFAOYSA-N -1 3 377.437 3.682 20 0 GHADHM C[C@@H](CCc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261011909 1045832550 /nfs/dbraw/zinc/83/25/50/1045832550.db2.gz GEYHKPZBQQYSQE-NSHDSACASA-N -1 3 391.386 3.850 20 0 GHADHM COC(=O)CCc1ccccc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC001298513947 1045845909 /nfs/dbraw/zinc/84/59/09/1045845909.db2.gz OGIQGCLBHJPRHK-UHFFFAOYSA-N -1 3 392.249 3.821 20 0 GHADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001261252688 1045941533 /nfs/dbraw/zinc/94/15/33/1045941533.db2.gz UXAKULGFIACOIR-QMMMGPOBSA-N -1 3 384.832 3.725 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc4cccc(Cl)c4s3)c([O-])cc21 ZINC001298801261 1045951803 /nfs/dbraw/zinc/95/18/03/1045951803.db2.gz YTAZAZIFPZEBDT-UHFFFAOYSA-N -1 3 387.848 3.703 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2Cc2ccccc2)s1 ZINC001463022689 1070737178 /nfs/dbraw/zinc/73/71/78/1070737178.db2.gz CGYRXLICLLJJDF-JKSUJKDBSA-N -1 3 393.530 3.615 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC001300898965 1046230805 /nfs/dbraw/zinc/23/08/05/1046230805.db2.gz ISBWOANZUKAWGP-MRXNPFEDSA-N -1 3 375.350 3.555 20 0 GHADHM Cc1c(F)cccc1N(C(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCO[C@@H]1C ZINC001262803537 1046351096 /nfs/dbraw/zinc/35/10/96/1046351096.db2.gz KNGKCIYAIIDUNQ-VLIAUNLRSA-N -1 3 380.419 3.800 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC001463099607 1070793296 /nfs/dbraw/zinc/79/32/96/1070793296.db2.gz LJWJYFJWOLEKTM-OPQQBVKSSA-N -1 3 394.306 3.700 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001301895280 1046748944 /nfs/dbraw/zinc/74/89/44/1046748944.db2.gz QECOLVLBOUQMTE-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001301895280 1046748959 /nfs/dbraw/zinc/74/89/59/1046748959.db2.gz QECOLVLBOUQMTE-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc([O-])c(C(=O)N2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)c1 ZINC001301893349 1046749873 /nfs/dbraw/zinc/74/98/73/1046749873.db2.gz WXZMGSZIIVEEMN-UHFFFAOYSA-N -1 3 398.459 3.765 20 0 GHADHM CC[C@]1(C)CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)C1 ZINC001263487680 1046882031 /nfs/dbraw/zinc/88/20/31/1046882031.db2.gz PEZNVQLTLZOYAJ-HXUWFJFHSA-N -1 3 398.536 3.875 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1F ZINC001463142528 1070848158 /nfs/dbraw/zinc/84/81/58/1070848158.db2.gz CIZUMBUWPXRVPE-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)C2)C1 ZINC001302717794 1047061886 /nfs/dbraw/zinc/06/18/86/1047061886.db2.gz GYUKXOWLYJAHEP-OLZOCXBDSA-N -1 3 384.929 3.610 20 0 GHADHM COc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1C(=O)c1ccccc1 ZINC001302911202 1047183970 /nfs/dbraw/zinc/18/39/70/1047183970.db2.gz LUADIHZUQLZYGG-UHFFFAOYSA-N -1 3 389.333 3.920 20 0 GHADHM COc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1C(=O)c1ccccc1 ZINC001302911202 1047183978 /nfs/dbraw/zinc/18/39/78/1047183978.db2.gz LUADIHZUQLZYGG-UHFFFAOYSA-N -1 3 389.333 3.920 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)c1 ZINC001302911263 1047184886 /nfs/dbraw/zinc/18/48/86/1047184886.db2.gz MTBXFXHMICQHCS-UHFFFAOYSA-N -1 3 377.396 3.893 20 0 GHADHM O=C([N-]Cc1nc2c(cccc2F)[nH]1)C(F)(F)c1ccc(Br)cc1 ZINC001302986161 1047229510 /nfs/dbraw/zinc/22/95/10/1047229510.db2.gz SJCPYVZKINNJRM-UHFFFAOYSA-N -1 3 398.182 3.873 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000604495011 1047249771 /nfs/dbraw/zinc/24/97/71/1047249771.db2.gz SQGTZXHBFLMQOI-QMMMGPOBSA-N -1 3 394.301 3.881 20 0 GHADHM C=C/C=C\CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001303175781 1047304821 /nfs/dbraw/zinc/30/48/21/1047304821.db2.gz IUWKTWNGMPPQMJ-WAYWQWQTSA-N -1 3 384.501 3.966 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2nc3ccccc3s2)C2CC2)c1 ZINC001303802163 1047515972 /nfs/dbraw/zinc/51/59/72/1047515972.db2.gz UKHMQUVJRGQWJQ-UHFFFAOYSA-N -1 3 393.468 3.931 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(F)c2ncccc2c1 ZINC001304567535 1047715383 /nfs/dbraw/zinc/71/53/83/1047715383.db2.gz KXGJIWSJJIRJJE-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc(F)c2ncccc2c1 ZINC001304567535 1047715387 /nfs/dbraw/zinc/71/53/87/1047715387.db2.gz KXGJIWSJJIRJJE-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001304575809 1047718727 /nfs/dbraw/zinc/71/87/27/1047718727.db2.gz DXGUKKSCLQXSEC-HUUCEWRRSA-N -1 3 382.410 3.805 20 0 GHADHM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001279296667 1047759476 /nfs/dbraw/zinc/75/94/76/1047759476.db2.gz GKWREKZSJONVNF-IINYFYTJSA-N -1 3 394.796 3.674 20 0 GHADHM CC(C)(C)CCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001463280894 1070959833 /nfs/dbraw/zinc/95/98/33/1070959833.db2.gz ZINWHASZTDEWRQ-QGZVFWFLSA-N -1 3 383.554 3.685 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(Cc4ccc(F)cc4)CC3)nc21 ZINC001463313929 1070982073 /nfs/dbraw/zinc/98/20/73/1070982073.db2.gz NGXVMRHDSRZDME-UHFFFAOYSA-N -1 3 381.407 3.840 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3nc(-c4ccccc4)oc3C)nc21 ZINC001463324286 1070988025 /nfs/dbraw/zinc/98/80/25/1070988025.db2.gz VFXPPPXIWVMUOZ-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM 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COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c1 ZINC001309734096 1050945822 /nfs/dbraw/zinc/94/58/22/1050945822.db2.gz WLSDMWSNHMBUNM-UHFFFAOYSA-N -1 3 399.818 3.528 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(Cl)cc1C(F)(F)F ZINC001309823174 1050990901 /nfs/dbraw/zinc/99/09/01/1050990901.db2.gz VKAGTTSICWNVRY-SUZMYJTESA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-]CCc1cnc2ccccc2c1)c1ccc(F)cc1C(F)(F)F ZINC001309835232 1050995450 /nfs/dbraw/zinc/99/54/50/1050995450.db2.gz PCMYZBNKMVOTGR-UHFFFAOYSA-N -1 3 398.381 3.914 20 0 GHADHM O=S(=O)([N-]Cc1cscc1Cl)c1c(F)cccc1OC(F)(F)F ZINC001309865484 1051011858 /nfs/dbraw/zinc/01/18/58/1051011858.db2.gz PTIMJZFCTDBZMD-UHFFFAOYSA-N -1 3 389.779 3.918 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001331066432 1051182575 /nfs/dbraw/zinc/18/25/75/1051182575.db2.gz LWZWZFBJWKBDLW-AWEZNQCLSA-N -1 3 382.416 3.763 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001331258535 1051228470 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1053974941 /nfs/dbraw/zinc/97/49/41/1053974941.db2.gz DIMXQMMCHDAHHK-INIZCTEOSA-N -1 3 398.536 3.980 20 0 GHADHM Cc1cc(C)n2ncc(C(=O)[N-]c3nnc(SCc4ccccc4)s3)c2n1 ZINC001317793618 1054259115 /nfs/dbraw/zinc/25/91/15/1054259115.db2.gz XLQQYZWMPQZJBF-UHFFFAOYSA-N -1 3 396.501 3.742 20 0 GHADHM COc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc2c1O[C@H](C)C2 ZINC001317827524 1054270090 /nfs/dbraw/zinc/27/00/90/1054270090.db2.gz QYMSUPDTPPDQDG-SECBINFHSA-N -1 3 378.222 3.739 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)nc[n-]c2=O)sc1Cc1ccc(C)cc1 ZINC001317980144 1054337411 /nfs/dbraw/zinc/33/74/11/1054337411.db2.gz DENHKNBSDSWAIU-UHFFFAOYSA-N -1 3 382.489 3.726 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)CCc3c(C)nc[n-]c3=O)c2)c1 ZINC001318450667 1054648189 /nfs/dbraw/zinc/64/81/89/1054648189.db2.gz KCIKTFSFGOMXSP-UHFFFAOYSA-N -1 3 377.444 3.949 20 0 GHADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)ccc2N1 ZINC001318537440 1054706926 /nfs/dbraw/zinc/70/69/26/1054706926.db2.gz XGSJFBYKBZHDAH-UHFFFAOYSA-N -1 3 395.440 3.559 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345159311 1054923827 /nfs/dbraw/zinc/92/38/27/1054923827.db2.gz GAKYYPUDKJFNOC-QGZVFWFLSA-N -1 3 379.350 3.966 20 0 GHADHM COC[C@H]1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC(C)C)C1 ZINC001345207789 1054940710 /nfs/dbraw/zinc/94/07/10/1054940710.db2.gz AFWPSIOWPKMUQV-HNNXBMFYSA-N -1 3 392.931 3.551 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(Br)cnc1Cl ZINC001319240537 1055118603 /nfs/dbraw/zinc/11/86/03/1055118603.db2.gz ICCJXJPYVXDKBE-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM C[C@H]1CC[C@@](NC(=O)c2cccc(CN3CCCC3)c2)(C(=O)[O-])c2ccccc21 ZINC001345805665 1055267940 /nfs/dbraw/zinc/26/79/40/1055267940.db2.gz DEGJZVSJXXHOBU-XDHUDOTRSA-N -1 3 392.499 3.890 20 0 GHADHM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001319852698 1055505065 /nfs/dbraw/zinc/50/50/65/1055505065.db2.gz ZDDPJRYNWXSAPQ-AWEZNQCLSA-N -1 3 391.842 3.685 20 0 GHADHM O=S(=O)([N-]CCc1coc(-c2ccccc2)n1)c1ccc(Cl)nc1Cl ZINC001321373102 1056238642 /nfs/dbraw/zinc/23/86/42/1056238642.db2.gz QQDYSBSYRKDQFI-UHFFFAOYSA-N -1 3 398.271 3.564 20 0 GHADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)c1nnc(CSc2ccc(Cl)cc2)o1 ZINC001322191729 1056560533 /nfs/dbraw/zinc/56/05/33/1056560533.db2.gz VOZJPCDDTXDHLF-ZDUSSCGKSA-N -1 3 389.930 3.652 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC001322411456 1056685538 /nfs/dbraw/zinc/68/55/38/1056685538.db2.gz QXFGKFFVPSSNFQ-MRXNPFEDSA-N -1 3 390.281 3.549 20 0 GHADHM NC(=O)CCc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001322424438 1056696663 /nfs/dbraw/zinc/69/66/63/1056696663.db2.gz TYOIDUHBZLLMSN-UHFFFAOYSA-N -1 3 388.467 3.848 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCC2CCCC2)ccc1F ZINC001354525142 1056743356 /nfs/dbraw/zinc/74/33/56/1056743356.db2.gz CANWKQRHXZCTTM-UHFFFAOYSA-N -1 3 398.544 3.993 20 0 GHADHM CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001300667834 1056812860 /nfs/dbraw/zinc/81/28/60/1056812860.db2.gz ALZZWAWJTICQMF-UHFFFAOYSA-N -1 3 381.329 3.628 20 0 GHADHM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)CCC2 ZINC001323594653 1056989148 /nfs/dbraw/zinc/98/91/48/1056989148.db2.gz FONWQUOPSCKWEH-GFCCVEGCSA-N -1 3 389.308 3.522 20 0 GHADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)n1CC1CC1 ZINC001324086475 1057067540 /nfs/dbraw/zinc/06/75/40/1057067540.db2.gz DYYKVJLDXMUBMY-UHFFFAOYSA-N -1 3 377.282 3.913 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001324143269 1057078156 /nfs/dbraw/zinc/07/81/56/1057078156.db2.gz KHMQUMGMXFHDNZ-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001324154969 1057080285 /nfs/dbraw/zinc/08/02/85/1057080285.db2.gz WFPZNHMGCOWNET-UHFFFAOYSA-N -1 3 397.744 3.594 20 0 GHADHM COc1ccc(C(C)C)cc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000848712858 1057258746 /nfs/dbraw/zinc/25/87/46/1057258746.db2.gz SDPWJTMZHLPBDN-UHFFFAOYSA-N -1 3 395.452 3.686 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(n3)CCCN4)nc(=O)c2c1C ZINC000848792666 1057309271 /nfs/dbraw/zinc/30/92/71/1057309271.db2.gz AIXUAYUOVRYCSS-JTQLQIEISA-N -1 3 384.461 3.685 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCCC(C)(C)C ZINC001475216242 1057341808 /nfs/dbraw/zinc/34/18/08/1057341808.db2.gz ICDADSXCCJHIOH-INIZCTEOSA-N -1 3 389.945 3.560 20 0 GHADHM COc1c(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cnn1-c1ccccc1 ZINC001325659525 1057350082 /nfs/dbraw/zinc/35/00/82/1057350082.db2.gz POTZZXJCKZNKJR-UHFFFAOYSA-N -1 3 391.456 3.576 20 0 GHADHM COc1ccc(C[C@@H](C)N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001326720880 1057541735 /nfs/dbraw/zinc/54/17/35/1057541735.db2.gz OLYOHYQZFJRUBP-GFCCVEGCSA-N -1 3 386.398 3.518 20 0 GHADHM C[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)c1ccc(F)nc1 ZINC001473062410 1057594059 /nfs/dbraw/zinc/59/40/59/1057594059.db2.gz LBSSHLQXKDDDBM-LBPRGKRZSA-N -1 3 381.436 3.968 20 0 GHADHM CSc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1Br ZINC001439509138 1058200677 /nfs/dbraw/zinc/20/06/77/1058200677.db2.gz IZMJQBUDUGICEO-UHFFFAOYSA-N -1 3 379.239 3.801 20 0 GHADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(F)cc1 ZINC001337680696 1058214508 /nfs/dbraw/zinc/21/45/08/1058214508.db2.gz VXTRPWFMOLNWDE-KRWDZBQOSA-N -1 3 396.459 3.533 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2n[n-]c(-c3ccco3)n2)s1 ZINC001338252597 1058476867 /nfs/dbraw/zinc/47/68/67/1058476867.db2.gz LBRQVVSJBBLXAV-UHFFFAOYSA-N -1 3 379.445 3.986 20 0 GHADHM O=C(CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-])N1CCCCCC1 ZINC001442495922 1058969767 /nfs/dbraw/zinc/96/97/67/1058969767.db2.gz GSFQPFJSLCMONC-UHFFFAOYSA-N -1 3 382.460 3.707 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC001339158805 1058986454 /nfs/dbraw/zinc/98/64/54/1058986454.db2.gz YBEOEARPTKZKES-QFIPXVFZSA-N -1 3 384.299 3.876 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC001339158805 1058986461 /nfs/dbraw/zinc/98/64/61/1058986461.db2.gz YBEOEARPTKZKES-QFIPXVFZSA-N -1 3 384.299 3.876 20 0 GHADHM CC(C)(C)[S@@](C)(=O)=NC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC001339158804 1058986713 /nfs/dbraw/zinc/98/67/13/1058986713.db2.gz YBEOEARPTKZKES-JOCHJYFZSA-N -1 3 384.299 3.876 20 0 GHADHM CC(C)(C)[S@@](C)(=O)=NC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC001339158804 1058986714 /nfs/dbraw/zinc/98/67/14/1058986714.db2.gz YBEOEARPTKZKES-JOCHJYFZSA-N -1 3 384.299 3.876 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC001442659415 1058989702 /nfs/dbraw/zinc/98/97/02/1058989702.db2.gz OOHHFPRAWVNSCK-UHFFFAOYSA-N -1 3 395.373 3.551 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC001442659415 1058989704 /nfs/dbraw/zinc/98/97/04/1058989704.db2.gz OOHHFPRAWVNSCK-UHFFFAOYSA-N -1 3 395.373 3.551 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1[O-] ZINC001442717377 1058997721 /nfs/dbraw/zinc/99/77/21/1058997721.db2.gz KXUGAXLSTOPURH-UHFFFAOYSA-N -1 3 378.432 3.930 20 0 GHADHM COC(=O)c1cccc(Cc2cnc(NC(=O)c3c(C)cccc3[O-])s2)c1 ZINC001442925847 1059029786 /nfs/dbraw/zinc/02/97/86/1059029786.db2.gz RJSNHBPXIQMRCF-UHFFFAOYSA-N -1 3 382.441 3.787 20 0 GHADHM O=C(NCCc1ccc(F)cc1Cl)c1c[n-]c2c(Cl)cccc2c1=O ZINC001443664132 1059169870 /nfs/dbraw/zinc/16/98/70/1059169870.db2.gz LNMJDMFIGCXMLQ-UHFFFAOYSA-N -1 3 379.218 3.947 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)cc1[O-] ZINC001445482070 1059541136 /nfs/dbraw/zinc/54/11/36/1059541136.db2.gz DDKADOHZZXEWGY-UHFFFAOYSA-N -1 3 393.361 3.808 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1cccc(Cl)c1Cl ZINC001340019583 1059622915 /nfs/dbraw/zinc/62/29/15/1059622915.db2.gz JSNJMPSQKBKLFE-UHFFFAOYSA-N -1 3 393.278 3.712 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001340021834 1059624998 /nfs/dbraw/zinc/62/49/98/1059624998.db2.gz TXAJLCLBTVKSAT-MRXNPFEDSA-N -1 3 384.871 3.764 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(CCCO)Cc1cccc(Cl)c1 ZINC001446338470 1059757641 /nfs/dbraw/zinc/75/76/41/1059757641.db2.gz UGVXEXHLDQZHNS-UHFFFAOYSA-N -1 3 398.684 3.833 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCO1 ZINC001446979527 1059911258 /nfs/dbraw/zinc/91/12/58/1059911258.db2.gz GPHMHOYZDMOREP-SUMWQHHRSA-N -1 3 378.419 3.520 20 0 GHADHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc(SC)ccc1[O-] ZINC001447431971 1059963233 /nfs/dbraw/zinc/96/32/33/1059963233.db2.gz CBTKJEUGMXOTPJ-HNAYVOBHSA-N -1 3 399.512 3.896 20 0 GHADHM CCc1ccc([C@H]2CN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CCO2)cc1 ZINC001447692266 1060000382 /nfs/dbraw/zinc/00/03/82/1060000382.db2.gz WREQAKVJLVNEBM-LJQANCHMSA-N -1 3 396.874 3.958 20 0 GHADHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(Br)c1 ZINC001447872488 1060054988 /nfs/dbraw/zinc/05/49/88/1060054988.db2.gz PPDDFBYLALECKM-IBGZPJMESA-N -1 3 392.293 3.958 20 0 GHADHM CCOc1ccc([C@H]2CCCN2c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)cc1 ZINC001340890450 1060226115 /nfs/dbraw/zinc/22/61/15/1060226115.db2.gz JGYGFPSGQWOHCX-GOSISDBHSA-N -1 3 394.479 3.509 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3c(cccc3C(C)C)C2)c([O-])c1 ZINC001448925046 1060298855 /nfs/dbraw/zinc/29/88/55/1060298855.db2.gz XVLOVAWHELLFFV-UHFFFAOYSA-N -1 3 380.488 3.529 20 0 GHADHM CSc1cccc(F)c1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001449268649 1060368300 /nfs/dbraw/zinc/36/83/00/1060368300.db2.gz YDPBHLHBJYVJIY-UHFFFAOYSA-N -1 3 378.375 3.597 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001450053362 1060511117 /nfs/dbraw/zinc/51/11/17/1060511117.db2.gz YZLUVXNMSCRYCW-UHFFFAOYSA-N -1 3 387.321 3.725 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC/C=C\c2ccc(Br)cc2)c1 ZINC001450109187 1060532035 /nfs/dbraw/zinc/53/20/35/1060532035.db2.gz LOGFYFZTECIVAP-IHWYPQMZSA-N -1 3 389.249 3.556 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCc2ccc(F)cc21 ZINC001452693057 1060988218 /nfs/dbraw/zinc/98/82/18/1060988218.db2.gz OMQFMPDAXCFBNG-NSHDSACASA-N -1 3 386.373 3.747 20 0 GHADHM Cc1ccc2nc(-c3ccco3)cc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)c2c1 ZINC001452730837 1060995909 /nfs/dbraw/zinc/99/59/09/1060995909.db2.gz XJKAYAICBORZLQ-UHFFFAOYSA-N -1 3 392.440 3.518 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N([C@H](C)COC)[C@@H]2CCc3ccccc32)c1 ZINC001454478371 1061797923 /nfs/dbraw/zinc/79/79/23/1061797923.db2.gz VRLRKUMBQDGBPS-FOIQADDNSA-N -1 3 394.471 3.681 20 0 GHADHM CCOc1nnc(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[n-]1 ZINC001454983214 1061966892 /nfs/dbraw/zinc/96/68/92/1061966892.db2.gz XVNMMNAODORGQK-UHFFFAOYSA-N -1 3 384.248 3.886 20 0 GHADHM CCOc1nc(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)n[n-]1 ZINC001454983214 1061966897 /nfs/dbraw/zinc/96/68/97/1061966897.db2.gz XVNMMNAODORGQK-UHFFFAOYSA-N -1 3 384.248 3.886 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)n1 ZINC001454983214 1061966899 /nfs/dbraw/zinc/96/68/99/1061966899.db2.gz XVNMMNAODORGQK-UHFFFAOYSA-N -1 3 384.248 3.886 20 0 GHADHM COc1cc2c(cc1OC)C(C)(C)N(C(=O)c1ccc(C(C)=O)c([O-])c1)CC2 ZINC001455249788 1062071775 /nfs/dbraw/zinc/07/17/75/1062071775.db2.gz JIIKUUGZPRGKKF-UHFFFAOYSA-N -1 3 383.444 3.546 20 0 GHADHM COC(=O)[C@@](C)([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)c1ccccc1 ZINC001435045170 1062240056 /nfs/dbraw/zinc/24/00/56/1062240056.db2.gz YMUCLUHCVVJMEJ-SFHVURJKSA-N -1 3 397.805 3.645 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1OCc1ccc(F)cc1 ZINC001455661533 1062252365 /nfs/dbraw/zinc/25/23/65/1062252365.db2.gz IURHKNCHXYIYOY-UHFFFAOYSA-N -1 3 393.418 3.708 20 0 GHADHM CCc1oc2ccccc2c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001347462204 1062402123 /nfs/dbraw/zinc/40/21/23/1062402123.db2.gz UMIBEJSYUZIOAJ-LBPRGKRZSA-N -1 3 382.382 3.526 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1c(Cl)oc2ccccc21 ZINC001435472247 1062652209 /nfs/dbraw/zinc/65/22/09/1062652209.db2.gz QDABVCPVARLZHC-UHFFFAOYSA-N -1 3 396.827 3.527 20 0 GHADHM CCc1oc2ccccc2c1CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001456744949 1062835803 /nfs/dbraw/zinc/83/58/03/1062835803.db2.gz CKJXGLZORQTBNH-UHFFFAOYSA-N -1 3 383.400 3.677 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c2ncccc12 ZINC001456800254 1062863425 /nfs/dbraw/zinc/86/34/25/1062863425.db2.gz RIBHIJRQKLGFPA-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c2ncccc12 ZINC001456800254 1062863452 /nfs/dbraw/zinc/86/34/52/1062863452.db2.gz RIBHIJRQKLGFPA-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1csc(-c2ccccc2)n1 ZINC001456933494 1062922797 /nfs/dbraw/zinc/92/27/97/1062922797.db2.gz GQWLJCZRLQSLDK-CTYIDZIISA-N -1 3 380.473 3.762 20 0 GHADHM CCC[C@H](CC1CCCCC1)C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001348428272 1063070370 /nfs/dbraw/zinc/07/03/70/1063070370.db2.gz CKZAPZDIXNFXPO-GOSISDBHSA-N -1 3 388.556 3.962 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C=C3CCC(C(C)(C)C)CC3)CC2)n1 ZINC001348430502 1063071126 /nfs/dbraw/zinc/07/11/26/1063071126.db2.gz UTKKBINURLIMAN-UHFFFAOYSA-N -1 3 386.540 3.738 20 0 GHADHM Cc1ncc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1Br ZINC001457325951 1063089607 /nfs/dbraw/zinc/08/96/07/1063089607.db2.gz LPSODDGMKDLDQC-UHFFFAOYSA-N -1 3 392.640 3.900 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001348519134 1063163367 /nfs/dbraw/zinc/16/33/67/1063163367.db2.gz GFGNUJQZSUUXGQ-AWEZNQCLSA-N -1 3 386.533 3.847 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001458190580 1063641904 /nfs/dbraw/zinc/64/19/04/1063641904.db2.gz IVPIHKFTEUBTGC-HNNXBMFYSA-N -1 3 379.851 3.874 20 0 GHADHM Cn1cc(-c2ccc(C(=O)[N-]c3nnc(-c4c(F)cccc4F)s3)o2)cn1 ZINC001438290243 1064025230 /nfs/dbraw/zinc/02/52/30/1064025230.db2.gz VNGFUPVEUCFKNN-UHFFFAOYSA-N -1 3 387.371 3.729 20 0 GHADHM CC(C)Cc1ccccc1C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001438533469 1064064541 /nfs/dbraw/zinc/06/45/41/1064064541.db2.gz YJBIEWWYHNWGJY-UHFFFAOYSA-N -1 3 395.550 3.671 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC001351102271 1064266220 /nfs/dbraw/zinc/26/62/20/1064266220.db2.gz VYNJSMMJHVKANI-VGSWGCGISA-N -1 3 394.471 3.757 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463580292 1064477782 /nfs/dbraw/zinc/47/77/82/1064477782.db2.gz QYYOIAPGTHZUTF-OLZOCXBDSA-N -1 3 388.942 3.822 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1cccc(C)c1C ZINC001463584163 1064480189 /nfs/dbraw/zinc/48/01/89/1064480189.db2.gz VPXMMKCFRDJGIH-GOSISDBHSA-N -1 3 381.538 3.797 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001463654450 1064529327 /nfs/dbraw/zinc/52/93/27/1064529327.db2.gz BTLHETZDLJIKRB-KGLIPLIRSA-N -1 3 391.880 3.881 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC001463723256 1064571440 /nfs/dbraw/zinc/57/14/40/1064571440.db2.gz HXFDWSIRINJUOY-QMMMGPOBSA-N -1 3 393.761 3.952 20 0 GHADHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC001463738796 1064580750 /nfs/dbraw/zinc/58/07/50/1064580750.db2.gz LAWUZAVUQJIKRA-MRXNPFEDSA-N -1 3 391.386 3.685 20 0 GHADHM Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC001463751595 1064587980 /nfs/dbraw/zinc/58/79/80/1064587980.db2.gz TYZAFFUFMQQNPZ-NSHDSACASA-N -1 3 384.832 3.995 20 0 GHADHM CCOC1(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CCCC1 ZINC001463761464 1064593034 /nfs/dbraw/zinc/59/30/34/1064593034.db2.gz FKORZRZCQZBYNP-UHFFFAOYSA-N -1 3 394.306 3.524 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1(O)CCCC1 ZINC001463890053 1064697211 /nfs/dbraw/zinc/69/72/11/1064697211.db2.gz YOAOHTUQXAJWSL-UHFFFAOYSA-N -1 3 399.862 3.968 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCCC2)O1)c1ccc(F)cc1C(F)(F)F ZINC001463983865 1064753479 /nfs/dbraw/zinc/75/34/79/1064753479.db2.gz JVSDQMVGFZZAEJ-GFCCVEGCSA-N -1 3 381.391 3.615 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(C)cc3)CCC2)c(F)c1 ZINC001464020311 1064772572 /nfs/dbraw/zinc/77/25/72/1064772572.db2.gz ZPCNVKAHBPPWHI-UHFFFAOYSA-N -1 3 391.464 3.669 20 0 GHADHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3sc(C)cc3C)on2)cc1 ZINC001464051282 1064789384 /nfs/dbraw/zinc/78/93/84/1064789384.db2.gz BYCHEPNZULIXDQ-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM COc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3[O-])n[nH]2)c1 ZINC001464140720 1064853296 /nfs/dbraw/zinc/85/32/96/1064853296.db2.gz YSCWKUNNRQDSCS-UHFFFAOYSA-N -1 3 388.221 3.806 20 0 GHADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC001464149178 1064862495 /nfs/dbraw/zinc/86/24/95/1064862495.db2.gz SQKFQMFATMHRIT-UHFFFAOYSA-N -1 3 388.249 3.856 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC001464360445 1064970772 /nfs/dbraw/zinc/97/07/72/1064970772.db2.gz OQNRKRCFYLPAGN-GWCFXTLKSA-N -1 3 385.835 3.842 20 0 GHADHM C[C@@H](Cc1ccccc1F)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001464404945 1064991057 /nfs/dbraw/zinc/99/10/57/1064991057.db2.gz VHTKZJIADPBJEX-NSHDSACASA-N -1 3 379.457 3.990 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)nc1 ZINC001464423771 1064999710 /nfs/dbraw/zinc/99/97/10/1064999710.db2.gz HFVKDYGVXLLJSK-SSDOTTSWSA-N -1 3 384.301 3.557 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1Cc1ccccc1)c1csnc1-c1ccccc1 ZINC001464813953 1065226566 /nfs/dbraw/zinc/22/65/66/1065226566.db2.gz ABNNZDRPJQHVIF-MSOLQXFVSA-N -1 3 384.526 3.967 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1Cc1ccccc1)c1cc2nc(Cl)ncc2s1 ZINC001464821579 1065229431 /nfs/dbraw/zinc/22/94/31/1065229431.db2.gz ULHWAZSHOIMMMZ-CHWSQXEVSA-N -1 3 393.921 3.502 20 0 GHADHM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847414878 1065250714 /nfs/dbraw/zinc/25/07/14/1065250714.db2.gz OLLYDGQZLDELFH-UHFFFAOYSA-N -1 3 390.896 3.519 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465231599 1065480904 /nfs/dbraw/zinc/48/09/04/1065480904.db2.gz VZKXSWNGQIOMAO-BBRMVZONSA-N -1 3 394.537 3.927 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc(F)cc2n[n-]nc21 ZINC001465445284 1065621038 /nfs/dbraw/zinc/62/10/38/1065621038.db2.gz YUVMUIPKXNZUEE-UHFFFAOYSA-N -1 3 378.329 3.925 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000847644696 1065833593 /nfs/dbraw/zinc/83/35/93/1065833593.db2.gz PJIWGUOHHMSFRP-HNNXBMFYSA-N -1 3 385.357 3.694 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000847743727 1066010147 /nfs/dbraw/zinc/01/01/47/1066010147.db2.gz FVCJRGRKIOBPPO-CYBMUJFWSA-N -1 3 377.366 3.708 20 0 GHADHM COc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)CCC2 ZINC001466211817 1066037639 /nfs/dbraw/zinc/03/76/39/1066037639.db2.gz OJNALGWCKZSRER-SFHVURJKSA-N -1 3 384.382 3.622 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OCc2ccccc2)cc1C ZINC001200393146 1066082000 /nfs/dbraw/zinc/08/20/00/1066082000.db2.gz IHHDKENXKBCOJM-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC001200393146 1066082008 /nfs/dbraw/zinc/08/20/08/1066082008.db2.gz IHHDKENXKBCOJM-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1c(F)cccc1-n1cccn1 ZINC001466632376 1066223922 /nfs/dbraw/zinc/22/39/22/1066223922.db2.gz KYSGDQORQRWIOB-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3scc(Br)c3C)nc21 ZINC001357295675 1067035687 /nfs/dbraw/zinc/03/56/87/1067035687.db2.gz MSFKNOPHSPHVHC-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1F ZINC001358230400 1067447904 /nfs/dbraw/zinc/44/79/04/1067447904.db2.gz ATTNXDHEVHSSDY-NVXWUHKLSA-N -1 3 398.544 3.847 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001467806646 1067476861 /nfs/dbraw/zinc/47/68/61/1067476861.db2.gz YZJQFJSXABQVFQ-HNNXBMFYSA-N -1 3 380.444 3.753 20 0 GHADHM Cc1cccc(-c2cnc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])s2)c1 ZINC001467840493 1067491089 /nfs/dbraw/zinc/49/10/89/1067491089.db2.gz DOFMAUOYTQRROU-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM Cc1[nH+][n-]c2nnc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])c-2c1C ZINC001467906724 1067522798 /nfs/dbraw/zinc/52/27/98/1067522798.db2.gz DISIJFAWUWYIFP-UHFFFAOYSA-N -1 3 387.443 3.713 20 0 GHADHM CCOC(=O)C(=Cc1c(C2CC2)cnn1C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000849243434 1067776638 /nfs/dbraw/zinc/77/66/38/1067776638.db2.gz TWXGZHRVICIFDW-JYRVWZFOSA-N -1 3 398.488 3.728 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ncn4ccc(C)cc34)nc(=O)c2c1C ZINC000849902581 1067989798 /nfs/dbraw/zinc/98/97/98/1067989798.db2.gz ABKMHHMSLXYKGR-LLVKDONJSA-N -1 3 382.445 3.888 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001469223919 1068038848 /nfs/dbraw/zinc/03/88/48/1068038848.db2.gz FABYSLFHFUNZSZ-NHYWBVRUSA-N -1 3 398.297 3.737 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)c2)c1 ZINC001469326888 1068104389 /nfs/dbraw/zinc/10/43/89/1068104389.db2.gz NQRRJDVALGNZLQ-UHFFFAOYSA-N -1 3 378.432 3.988 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)c2)c1 ZINC001469326888 1068104392 /nfs/dbraw/zinc/10/43/92/1068104392.db2.gz NQRRJDVALGNZLQ-UHFFFAOYSA-N -1 3 378.432 3.988 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Br)c(CO)c1 ZINC001469640671 1068278144 /nfs/dbraw/zinc/27/81/44/1068278144.db2.gz IDVKHMRYEPINOO-UHFFFAOYSA-N -1 3 382.229 3.748 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001360133057 1068378986 /nfs/dbraw/zinc/37/89/86/1068378986.db2.gz VSBBIZOSDKWVBX-GDBMZVCRSA-N -1 3 398.544 3.847 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)c1 ZINC001469784675 1068385562 /nfs/dbraw/zinc/38/55/62/1068385562.db2.gz DFFJTFNDBZECTP-CYBMUJFWSA-N -1 3 384.863 3.972 20 0 GHADHM O=C([N-][C@H]1CN(CCc2ccccc2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460388518 1068950179 /nfs/dbraw/zinc/95/01/79/1068950179.db2.gz HCGPGBVOKCDOGC-OALUTQOASA-N -1 3 394.412 3.905 20 0 GHADHM CC(C)[C@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC001470863711 1072778644 /nfs/dbraw/zinc/77/86/44/1072778644.db2.gz GMYLLDUIJDTKAH-PBHICJAKSA-N -1 3 397.441 3.803 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cccc(C)c1F ZINC001471035107 1072895363 /nfs/dbraw/zinc/89/53/63/1072895363.db2.gz URFFXVMKZRYGQW-UHFFFAOYSA-N -1 3 382.395 3.679 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)c1 ZINC001471709655 1073191444 /nfs/dbraw/zinc/19/14/44/1073191444.db2.gz USRJWKJUOHUFTM-INIZCTEOSA-N -1 3 381.350 3.618 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC001471716931 1073194377 /nfs/dbraw/zinc/19/43/77/1073194377.db2.gz VXHFRXQFQDZZNT-UHFFFAOYSA-N -1 3 399.756 3.514 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCC(F)F)c2)cc1 ZINC001471760826 1073211807 /nfs/dbraw/zinc/21/18/07/1073211807.db2.gz SUNZSTDEZXRZPB-UHFFFAOYSA-N -1 3 396.459 3.879 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(c2ncon2)CC1 ZINC001471965747 1073285393 /nfs/dbraw/zinc/28/53/93/1073285393.db2.gz RAVDJDGSUXLDIA-UHFFFAOYSA-N -1 3 377.444 3.580 20 0 GHADHM C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109608 1073336056 /nfs/dbraw/zinc/33/60/56/1073336056.db2.gz RXOWXPIZYIGZBA-JTQLQIEISA-N -1 3 380.395 3.946 20 0 GHADHM COc1cccc(C2(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)CCCC2)c1 ZINC001472109417 1073336658 /nfs/dbraw/zinc/33/66/58/1073336658.db2.gz ODDWRBPVKULONN-NSHDSACASA-N -1 3 382.386 3.521 20 0 GHADHM C[C@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472111993 1073337721 /nfs/dbraw/zinc/33/77/21/1073337721.db2.gz VEMTXVALVZDBPY-SMDDNHRTSA-N -1 3 381.402 3.760 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(CCOCc3ccccc3)CC2)c([O-])c(OC)c1 ZINC001472228794 1073376340 /nfs/dbraw/zinc/37/63/40/1073376340.db2.gz XPEQZJFLDKFYDB-UHFFFAOYSA-N -1 3 399.443 3.513 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(C2CCCCC2)[nH]n1 ZINC001472241286 1073380571 /nfs/dbraw/zinc/38/05/71/1073380571.db2.gz OEHGFOHLYNFTPF-UHFFFAOYSA-N -1 3 393.447 3.790 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2cc(C(F)(F)F)ccn2)c([O-])c1 ZINC001472570279 1073556164 /nfs/dbraw/zinc/55/61/64/1073556164.db2.gz RQSZDLLNBFUFDZ-UHFFFAOYSA-N -1 3 382.382 3.957 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3cc(C(=O)OC)ccc3C2)c([O-])c1 ZINC001472616451 1073578408 /nfs/dbraw/zinc/57/84/08/1073578408.db2.gz VZAYTYWIJVRLKQ-UHFFFAOYSA-N -1 3 383.444 3.556 20 0 GHADHM CC(C)c1nnc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC001472910373 1073722659 /nfs/dbraw/zinc/72/26/59/1073722659.db2.gz DUQFHNOOOACILT-UHFFFAOYSA-N -1 3 384.490 3.788 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cccc(Br)c1F ZINC001474871388 1074603644 /nfs/dbraw/zinc/60/36/44/1074603644.db2.gz OLIRTBORCNNUKC-ZDUSSCGKSA-N -1 3 388.233 3.693 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)N1CCc2ccccc21 ZINC001474905106 1074624551 /nfs/dbraw/zinc/62/45/51/1074624551.db2.gz SCNSMRAMAHCSNU-HNNXBMFYSA-N -1 3 399.541 3.540 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC001474906090 1074625295 /nfs/dbraw/zinc/62/52/95/1074625295.db2.gz SOMIDZOZJKGPEG-QWRGUYRKSA-N -1 3 394.306 3.701 20 0 GHADHM O=S(=O)(Cc1ccno1)[N-][C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC001474966601 1074657140 /nfs/dbraw/zinc/65/71/40/1074657140.db2.gz VINXIKRREXIMSZ-QGZVFWFLSA-N -1 3 398.818 3.815 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@H](O)c1ccccc1F ZINC001475027326 1074693874 /nfs/dbraw/zinc/69/38/74/1074693874.db2.gz JXWHJWYHNFANGW-GXTWGEPZSA-N -1 3 377.890 3.640 20 0 GHADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001475083096 1074729946 /nfs/dbraw/zinc/72/99/46/1074729946.db2.gz IOHFGDXFXKYMLJ-CQSZACIVSA-N -1 3 386.498 3.750 20 0 GHADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001475083392 1074730078 /nfs/dbraw/zinc/73/00/78/1074730078.db2.gz PHRJGKKHDJBCSD-LLVKDONJSA-N -1 3 394.905 3.890 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c(Br)c1 ZINC001475175108 1074770697 /nfs/dbraw/zinc/77/06/97/1074770697.db2.gz DWCOWOXMDOMUMZ-SNVBAGLBSA-N -1 3 396.734 3.647 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)(C)C)CC2)c(F)c1 ZINC001475203407 1074783727 /nfs/dbraw/zinc/78/37/27/1074783727.db2.gz RNLFHSZNLJRGHT-HUUCEWRRSA-N -1 3 385.501 3.886 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccc2ncsc2c1 ZINC001475215245 1074789552 /nfs/dbraw/zinc/78/95/52/1074789552.db2.gz VNBAKDSRMLJRCR-MRVPVSSYSA-N -1 3 387.280 3.691 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)CC(CC)CC ZINC001475218656 1074791013 /nfs/dbraw/zinc/79/10/13/1074791013.db2.gz ZNTHPQJNPKHTEI-FQEVSTJZSA-N -1 3 391.533 3.670 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCc3ccc(C(C)C)cc32)c1 ZINC001475223349 1074792831 /nfs/dbraw/zinc/79/28/31/1074792831.db2.gz AFLCHHLDERKYQR-INIZCTEOSA-N -1 3 379.503 3.624 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1csnc1-c1ccccc1)C(=O)c1ccccc1 ZINC001475338119 1074838641 /nfs/dbraw/zinc/83/86/41/1074838641.db2.gz QHIYWIDJVMIOGE-UHFFFAOYSA-N -1 3 386.498 3.750 20 0 GHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001475356876 1074846216 /nfs/dbraw/zinc/84/62/16/1074846216.db2.gz FJNBVBLSLPGATI-MLCYQJTMSA-N -1 3 392.839 3.828 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 ZINC001475387045 1074857262 /nfs/dbraw/zinc/85/72/62/1074857262.db2.gz GWIDQGFOLMYNDX-UHFFFAOYSA-N -1 3 380.535 3.602 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]CCc2ccc(C3CCCCC3)cc2)nc1Cl ZINC001475489736 1074893293 /nfs/dbraw/zinc/89/32/93/1074893293.db2.gz NJZYPBQSUBJZFM-UHFFFAOYSA-N -1 3 381.929 3.642 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(Cl)cc32)c(F)c1 ZINC001475575400 1074917964 /nfs/dbraw/zinc/91/79/64/1074917964.db2.gz RYPVGWNEQRLEEC-INIZCTEOSA-N -1 3 397.855 3.622 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1F ZINC001475579623 1074919203 /nfs/dbraw/zinc/91/92/03/1074919203.db2.gz OTMWXYMMKQFYPF-CQSZACIVSA-N -1 3 396.242 3.674 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCCO1 ZINC001475605829 1074925603 /nfs/dbraw/zinc/92/56/03/1074925603.db2.gz ZFVNVNCEZACMFT-ZDUSSCGKSA-N -1 3 396.734 3.729 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C(F)F)c1OC ZINC001475615142 1074927993 /nfs/dbraw/zinc/92/79/93/1074927993.db2.gz GXNZBSWUSYQNHV-AWEZNQCLSA-N -1 3 391.823 3.642 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC001475689095 1074999634 /nfs/dbraw/zinc/99/96/34/1074999634.db2.gz YRYGGQBRKKBXCK-UHFFFAOYSA-N -1 3 396.347 3.932 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)C2CCC(C)CC2)C(=O)OC(C)(C)C)c1 ZINC001475740797 1075012158 /nfs/dbraw/zinc/01/21/58/1075012158.db2.gz GJZKZXBJYYCZDR-IUPXNIOVSA-N -1 3 381.538 3.876 20 0 GHADHM COc1cc2c(cc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)oc1ccccc12 ZINC001475908157 1075046592 /nfs/dbraw/zinc/04/65/92/1075046592.db2.gz FDHHGUZFLYGFPW-UHFFFAOYSA-N -1 3 396.428 3.701 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)C2CCCCCC2)cc1OC ZINC001476019964 1075069990 /nfs/dbraw/zinc/06/99/90/1075069990.db2.gz NWZYQQVWQMGBCL-CQSZACIVSA-N -1 3 397.541 3.937 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001476138828 1075093157 /nfs/dbraw/zinc/09/31/57/1075093157.db2.gz WIGWIDZUJDFCKD-SECBINFHSA-N -1 3 387.362 3.502 20 0 GHADHM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NCc1nsc2ccccc12 ZINC001601659616 1126224362 /nfs/dbraw/zinc/22/43/62/1126224362.db2.gz QDFPQBYDNJNIDR-AWEZNQCLSA-N -1 3 396.390 3.980 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)c(C)c1 ZINC000016130808 206251163 /nfs/dbraw/zinc/25/11/63/206251163.db2.gz UNYKYZARPDCMBO-UHFFFAOYSA-N -1 3 387.242 3.709 20 0 GHADHM O=c1[n-]c(-c2cnc(NCC(F)F)cn2)nc2sc3c(c21)CCCS3 ZINC000487484697 564689811 /nfs/dbraw/zinc/68/98/11/564689811.db2.gz KZEQJYLTPXRILM-UHFFFAOYSA-N -1 3 381.433 3.569 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736479918 598823185 /nfs/dbraw/zinc/82/31/85/598823185.db2.gz MDBSJZIWCKTMMA-UHFFFAOYSA-N -1 3 399.495 3.579 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736479918 598823186 /nfs/dbraw/zinc/82/31/86/598823186.db2.gz MDBSJZIWCKTMMA-UHFFFAOYSA-N -1 3 399.495 3.579 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000737964689 598823882 /nfs/dbraw/zinc/82/38/82/598823882.db2.gz YGVXFVAGNWJNOW-OAHLLOKOSA-N -1 3 388.258 3.520 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000737964689 598823883 /nfs/dbraw/zinc/82/38/83/598823883.db2.gz YGVXFVAGNWJNOW-OAHLLOKOSA-N -1 3 388.258 3.520 20 0 GHADHM CC[C@](C)(NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nccs1 ZINC000736315299 598827608 /nfs/dbraw/zinc/82/76/08/598827608.db2.gz IGMOXKNQKYKWMR-HNNXBMFYSA-N -1 3 393.929 3.588 20 0 GHADHM CC[C@](C)(NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nccs1 ZINC000736315299 598827610 /nfs/dbraw/zinc/82/76/10/598827610.db2.gz IGMOXKNQKYKWMR-HNNXBMFYSA-N -1 3 393.929 3.588 20 0 GHADHM CCCCSCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000736462191 598829196 /nfs/dbraw/zinc/82/91/96/598829196.db2.gz BPXLIIYHZPBQCQ-UHFFFAOYSA-N -1 3 384.889 3.748 20 0 GHADHM CCCCSCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000736462191 598829198 /nfs/dbraw/zinc/82/91/98/598829198.db2.gz BPXLIIYHZPBQCQ-UHFFFAOYSA-N -1 3 384.889 3.748 20 0 GHADHM CSCCCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000737183133 598830898 /nfs/dbraw/zinc/83/08/98/598830898.db2.gz UYMYGJFENPALKJ-UHFFFAOYSA-N -1 3 398.492 3.834 20 0 GHADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737824510 598831619 /nfs/dbraw/zinc/83/16/19/598831619.db2.gz WPHBDCKSUFPABC-GFCCVEGCSA-N -1 3 399.838 3.678 20 0 GHADHM O=C(C[C@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737824510 598831621 /nfs/dbraw/zinc/83/16/21/598831621.db2.gz WPHBDCKSUFPABC-GFCCVEGCSA-N -1 3 399.838 3.678 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000737061548 598832418 /nfs/dbraw/zinc/83/24/18/598832418.db2.gz APYFEUXDCQLYHZ-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM CC(C)c1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)on1 ZINC000735921549 598833503 /nfs/dbraw/zinc/83/35/03/598833503.db2.gz UIBYIBLNENKGPN-UHFFFAOYSA-N -1 3 394.460 3.637 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736400615 598837342 /nfs/dbraw/zinc/83/73/42/598837342.db2.gz PRTLVMPOKQTFEG-OAHLLOKOSA-N -1 3 395.463 3.834 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736400615 598837344 /nfs/dbraw/zinc/83/73/44/598837344.db2.gz PRTLVMPOKQTFEG-OAHLLOKOSA-N -1 3 395.463 3.834 20 0 GHADHM CC[C@@H](CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736330655 598839269 /nfs/dbraw/zinc/83/92/69/598839269.db2.gz FBZNINABZPJSAU-HNNXBMFYSA-N -1 3 381.484 3.680 20 0 GHADHM CCCCSCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736462384 598839770 /nfs/dbraw/zinc/83/97/70/598839770.db2.gz FAQLZRXPLNAQEK-UHFFFAOYSA-N -1 3 399.524 3.531 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735851460 598840594 /nfs/dbraw/zinc/84/05/94/598840594.db2.gz WATHPUOTZAQMME-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735851460 598840595 /nfs/dbraw/zinc/84/05/95/598840595.db2.gz WATHPUOTZAQMME-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000735634312 598856360 /nfs/dbraw/zinc/85/63/60/598856360.db2.gz ZFWYNJWUMXXEJA-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000735634312 598856361 /nfs/dbraw/zinc/85/63/61/598856361.db2.gz ZFWYNJWUMXXEJA-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000736039350 598881624 /nfs/dbraw/zinc/88/16/24/598881624.db2.gz ITYPNMICVSFTDY-LLVKDONJSA-N -1 3 392.337 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000736039350 598881626 /nfs/dbraw/zinc/88/16/26/598881626.db2.gz ITYPNMICVSFTDY-LLVKDONJSA-N -1 3 392.337 3.510 20 0 GHADHM O=C(Cc1ccc(Br)s1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737955301 598903857 /nfs/dbraw/zinc/90/38/57/598903857.db2.gz DQVLASOGSIUOFP-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(Cc1ccc(Br)s1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737955301 598903859 /nfs/dbraw/zinc/90/38/59/598903859.db2.gz DQVLASOGSIUOFP-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738040159 598905867 /nfs/dbraw/zinc/90/58/67/598905867.db2.gz OTCJDGLAGYIDQW-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738040159 598905869 /nfs/dbraw/zinc/90/58/69/598905869.db2.gz OTCJDGLAGYIDQW-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736262117 598907563 /nfs/dbraw/zinc/90/75/63/598907563.db2.gz MJYKCUOPYLVQPU-IAGOWNOFSA-N -1 3 385.512 3.748 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736262117 598907565 /nfs/dbraw/zinc/90/75/65/598907565.db2.gz MJYKCUOPYLVQPU-IAGOWNOFSA-N -1 3 385.512 3.748 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737058399 598912908 /nfs/dbraw/zinc/91/29/08/598912908.db2.gz LBGSOXBQJSALBX-IRXDYDNUSA-N -1 3 377.448 3.741 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737058399 598912909 /nfs/dbraw/zinc/91/29/09/598912909.db2.gz LBGSOXBQJSALBX-IRXDYDNUSA-N -1 3 377.448 3.741 20 0 GHADHM CC(C)N(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000735856061 598940534 /nfs/dbraw/zinc/94/05/34/598940534.db2.gz AMNHMBYNROYLEZ-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)N(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000735856061 598940536 /nfs/dbraw/zinc/94/05/36/598940536.db2.gz AMNHMBYNROYLEZ-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737997437 598943164 /nfs/dbraw/zinc/94/31/64/598943164.db2.gz VTQYQBWXTFJHFS-OAQYLSRUSA-N -1 3 399.454 3.555 20 0 GHADHM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737997437 598943166 /nfs/dbraw/zinc/94/31/66/598943166.db2.gz VTQYQBWXTFJHFS-OAQYLSRUSA-N -1 3 399.454 3.555 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737427852 598984006 /nfs/dbraw/zinc/98/40/06/598984006.db2.gz HAJWLTPTQKASQV-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737427852 598984008 /nfs/dbraw/zinc/98/40/08/598984008.db2.gz HAJWLTPTQKASQV-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249146 598987899 /nfs/dbraw/zinc/98/78/99/598987899.db2.gz FFGGGTNSRGRNCI-KXBFYZLASA-N -1 3 391.475 3.754 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736329824 598997180 /nfs/dbraw/zinc/99/71/80/598997180.db2.gz KUBMLURNZPZYFT-GJZGRUSLSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736329824 598997181 /nfs/dbraw/zinc/99/71/81/598997181.db2.gz KUBMLURNZPZYFT-GJZGRUSLSA-N -1 3 379.464 3.610 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000737996629 599040281 /nfs/dbraw/zinc/04/02/81/599040281.db2.gz GWSZSUGSBBDIEP-NSHDSACASA-N -1 3 387.774 3.615 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000737996629 599040283 /nfs/dbraw/zinc/04/02/83/599040283.db2.gz GWSZSUGSBBDIEP-NSHDSACASA-N -1 3 387.774 3.615 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC000820198428 599043085 /nfs/dbraw/zinc/04/30/85/599043085.db2.gz VNTODBDMMJYVOK-NSHDSACASA-N -1 3 389.916 3.879 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC000820198428 599043088 /nfs/dbraw/zinc/04/30/88/599043088.db2.gz VNTODBDMMJYVOK-NSHDSACASA-N -1 3 389.916 3.879 20 0 GHADHM CCCOCc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736487748 599047086 /nfs/dbraw/zinc/04/70/86/599047086.db2.gz IXDCQVCCBPACLG-UHFFFAOYSA-N -1 3 392.385 3.819 20 0 GHADHM CCCOCc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736487748 599047087 /nfs/dbraw/zinc/04/70/87/599047087.db2.gz IXDCQVCCBPACLG-UHFFFAOYSA-N -1 3 392.385 3.819 20 0 GHADHM CCN(Cc1c(F)cccc1F)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736556503 599050958 /nfs/dbraw/zinc/05/09/58/599050958.db2.gz WJBVAXSJVLVCLX-UHFFFAOYSA-N -1 3 384.312 3.585 20 0 GHADHM CCN(Cc1c(F)cccc1F)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736556503 599050961 /nfs/dbraw/zinc/05/09/61/599050961.db2.gz WJBVAXSJVLVCLX-UHFFFAOYSA-N -1 3 384.312 3.585 20 0 GHADHM Cc1cccc2c1OCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737409665 599051993 /nfs/dbraw/zinc/05/19/93/599051993.db2.gz PPAUHSJTWDLENG-GFCCVEGCSA-N -1 3 376.342 3.525 20 0 GHADHM Cc1cccc2c1OCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737409665 599051997 /nfs/dbraw/zinc/05/19/97/599051997.db2.gz PPAUHSJTWDLENG-GFCCVEGCSA-N -1 3 376.342 3.525 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cc(-c3ccccc3)on2)n1 ZINC000737636446 599052719 /nfs/dbraw/zinc/05/27/19/599052719.db2.gz SFKGJKLLQNOFCR-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cc(-c3ccccc3)on2)n1 ZINC000737636446 599052720 /nfs/dbraw/zinc/05/27/20/599052720.db2.gz SFKGJKLLQNOFCR-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000738162364 599069979 /nfs/dbraw/zinc/06/99/79/599069979.db2.gz BYWPGPXYVGSOCL-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000738162364 599069982 /nfs/dbraw/zinc/06/99/82/599069982.db2.gz BYWPGPXYVGSOCL-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735874441 599070600 /nfs/dbraw/zinc/07/06/00/599070600.db2.gz IKZOLNJRFXPJHU-FUHWJXTLSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735874441 599070604 /nfs/dbraw/zinc/07/06/04/599070604.db2.gz IKZOLNJRFXPJHU-FUHWJXTLSA-N -1 3 397.429 3.686 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736244270 599070866 /nfs/dbraw/zinc/07/08/66/599070866.db2.gz GEWJWYGGUOVXPC-DZGCQCFKSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736244270 599070869 /nfs/dbraw/zinc/07/08/69/599070869.db2.gz GEWJWYGGUOVXPC-DZGCQCFKSA-N -1 3 378.436 3.819 20 0 GHADHM Clc1ccc2c(c1Cl)OC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822568433 599075942 /nfs/dbraw/zinc/07/59/42/599075942.db2.gz QWIXUYHURBLIIS-JTQLQIEISA-N -1 3 383.626 3.768 20 0 GHADHM Clc1ccc2c(c1Cl)OC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822568433 599075946 /nfs/dbraw/zinc/07/59/46/599075946.db2.gz QWIXUYHURBLIIS-JTQLQIEISA-N -1 3 383.626 3.768 20 0 GHADHM CC(C)C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735784660 599079075 /nfs/dbraw/zinc/07/90/75/599079075.db2.gz VFFANUJQTHLACS-GOSISDBHSA-N -1 3 399.882 3.803 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)[C@@H]1C ZINC000736267615 599082554 /nfs/dbraw/zinc/08/25/54/599082554.db2.gz UHNZRVBPHHSWNK-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)[C@@H]1C ZINC000736267615 599082558 /nfs/dbraw/zinc/08/25/58/599082558.db2.gz UHNZRVBPHHSWNK-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737852746 599083186 /nfs/dbraw/zinc/08/31/86/599083186.db2.gz GJNMQZAXLVVCED-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CC(F)(F)F)cc1 ZINC000737852746 599083189 /nfs/dbraw/zinc/08/31/89/599083189.db2.gz GJNMQZAXLVVCED-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738024825 599091813 /nfs/dbraw/zinc/09/18/13/599091813.db2.gz ZAZOHHMYAOUCDG-VGOFRKELSA-N -1 3 395.466 3.895 20 0 GHADHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738024825 599091814 /nfs/dbraw/zinc/09/18/14/599091814.db2.gz ZAZOHHMYAOUCDG-VGOFRKELSA-N -1 3 395.466 3.895 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737389284 599103688 /nfs/dbraw/zinc/10/36/88/599103688.db2.gz KQDJVNYCKWDUCO-LJQANCHMSA-N -1 3 393.516 3.939 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737389284 599103690 /nfs/dbraw/zinc/10/36/90/599103690.db2.gz KQDJVNYCKWDUCO-LJQANCHMSA-N -1 3 393.516 3.939 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COc1ccc(-c2nn[n-]n2)cc1 ZINC000737520202 599112136 /nfs/dbraw/zinc/11/21/36/599112136.db2.gz CIGTVAYVHHIWGN-UHFFFAOYSA-N -1 3 394.866 3.961 20 0 GHADHM O=S(=O)(Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823566683 599120036 /nfs/dbraw/zinc/12/00/36/599120036.db2.gz KMMNGOKJYURWDP-UHFFFAOYSA-N -1 3 394.431 3.647 20 0 GHADHM O=S(=O)(Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823566683 599120037 /nfs/dbraw/zinc/12/00/37/599120037.db2.gz KMMNGOKJYURWDP-UHFFFAOYSA-N -1 3 394.431 3.647 20 0 GHADHM Cc1ccccc1CN(Cc1ccccn1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737428899 599120856 /nfs/dbraw/zinc/12/08/56/599120856.db2.gz XFZMAGIKRBOVLT-UHFFFAOYSA-N -1 3 391.866 3.825 20 0 GHADHM Cc1ccccc1CN(Cc1ccccn1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737428899 599120859 /nfs/dbraw/zinc/12/08/59/599120859.db2.gz XFZMAGIKRBOVLT-UHFFFAOYSA-N -1 3 391.866 3.825 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1nnc(CCCc2ccccc2)o1 ZINC000822761901 599133520 /nfs/dbraw/zinc/13/35/20/599133520.db2.gz VOXJCEQSXUHBCC-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1nnc(CCCc2ccccc2)o1 ZINC000822761901 599133522 /nfs/dbraw/zinc/13/35/22/599133522.db2.gz VOXJCEQSXUHBCC-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sc(C2CCCC2)nc1C ZINC000821700786 599135307 /nfs/dbraw/zinc/13/53/07/599135307.db2.gz XXQUVZSZPJHWDG-UHFFFAOYSA-N -1 3 385.449 3.517 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sc(C2CCCC2)nc1C ZINC000821700786 599135310 /nfs/dbraw/zinc/13/53/10/599135310.db2.gz XXQUVZSZPJHWDG-UHFFFAOYSA-N -1 3 385.449 3.517 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321829 599136522 /nfs/dbraw/zinc/13/65/22/599136522.db2.gz MWYUBGBJMLTOPP-PRDAAYKISA-N -1 3 382.493 3.511 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321829 599136524 /nfs/dbraw/zinc/13/65/24/599136524.db2.gz MWYUBGBJMLTOPP-PRDAAYKISA-N -1 3 382.493 3.511 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822431617 599138503 /nfs/dbraw/zinc/13/85/03/599138503.db2.gz CGHIIXFIBHCADR-NSHDSACASA-N -1 3 382.493 3.780 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822431617 599138505 /nfs/dbraw/zinc/13/85/05/599138505.db2.gz CGHIIXFIBHCADR-NSHDSACASA-N -1 3 382.493 3.780 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148289 599143823 /nfs/dbraw/zinc/14/38/23/599143823.db2.gz NQZDNDCKZNQYBM-KUHUBIRLSA-N -1 3 393.516 3.807 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148289 599143824 /nfs/dbraw/zinc/14/38/24/599143824.db2.gz NQZDNDCKZNQYBM-KUHUBIRLSA-N -1 3 393.516 3.807 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)(C)C ZINC000736018888 599143997 /nfs/dbraw/zinc/14/39/97/599143997.db2.gz XHWIBUQDIGYCHD-ZDUSSCGKSA-N -1 3 395.467 3.858 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821399807 599144801 /nfs/dbraw/zinc/14/48/01/599144801.db2.gz BUKKLEAYCVTUFR-ZDUSSCGKSA-N -1 3 383.427 3.612 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821399807 599144804 /nfs/dbraw/zinc/14/48/04/599144804.db2.gz BUKKLEAYCVTUFR-ZDUSSCGKSA-N -1 3 383.427 3.612 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000735874927 599159771 /nfs/dbraw/zinc/15/97/71/599159771.db2.gz NWGQMCHKGLEVLH-HOTGVXAUSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000735874927 599159773 /nfs/dbraw/zinc/15/97/73/599159773.db2.gz NWGQMCHKGLEVLH-HOTGVXAUSA-N -1 3 397.429 3.686 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737025799 599160728 /nfs/dbraw/zinc/16/07/28/599160728.db2.gz NKGUPQZUUROERI-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737025799 599160729 /nfs/dbraw/zinc/16/07/29/599160729.db2.gz NKGUPQZUUROERI-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738162952 599161605 /nfs/dbraw/zinc/16/16/05/599161605.db2.gz JKLOCYRYCGMSMO-UWVGGRQHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738162952 599161606 /nfs/dbraw/zinc/16/16/06/599161606.db2.gz JKLOCYRYCGMSMO-UWVGGRQHSA-N -1 3 375.766 3.541 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736351886 599166964 /nfs/dbraw/zinc/16/69/64/599166964.db2.gz IHKAMRCPOHUGBR-XLNAKTSKSA-N -1 3 381.867 3.671 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736351886 599166966 /nfs/dbraw/zinc/16/69/66/599166966.db2.gz IHKAMRCPOHUGBR-XLNAKTSKSA-N -1 3 381.867 3.671 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000737355154 599167282 /nfs/dbraw/zinc/16/72/82/599167282.db2.gz AOPQWIIKGKJUCK-JTQLQIEISA-N -1 3 375.404 3.573 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737355154 599167286 /nfs/dbraw/zinc/16/72/86/599167286.db2.gz AOPQWIIKGKJUCK-JTQLQIEISA-N -1 3 375.404 3.573 20 0 GHADHM CC1CCC(N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)C2CC2)CC1 ZINC000736239679 599168405 /nfs/dbraw/zinc/16/84/05/599168405.db2.gz HWWDWEFROFMGNB-UHFFFAOYSA-N -1 3 389.500 3.668 20 0 GHADHM CC1CCC(N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)C2CC2)CC1 ZINC000736239679 599168407 /nfs/dbraw/zinc/16/84/07/599168407.db2.gz HWWDWEFROFMGNB-UHFFFAOYSA-N -1 3 389.500 3.668 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822974315 599170360 /nfs/dbraw/zinc/17/03/60/599170360.db2.gz GTLVHAQHRNRTKC-UHFFFAOYSA-N -1 3 391.406 3.515 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822974315 599170363 /nfs/dbraw/zinc/17/03/63/599170363.db2.gz GTLVHAQHRNRTKC-UHFFFAOYSA-N -1 3 391.406 3.515 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737263371 599171418 /nfs/dbraw/zinc/17/14/18/599171418.db2.gz IOFNFQQADVBMDR-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737263371 599171419 /nfs/dbraw/zinc/17/14/19/599171419.db2.gz IOFNFQQADVBMDR-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819957702 599172750 /nfs/dbraw/zinc/17/27/50/599172750.db2.gz CPDOXWPNZATQFD-UHFFFAOYSA-N -1 3 399.495 3.712 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819957702 599172752 /nfs/dbraw/zinc/17/27/52/599172752.db2.gz CPDOXWPNZATQFD-UHFFFAOYSA-N -1 3 399.495 3.712 20 0 GHADHM CC(C)[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735719297 599172946 /nfs/dbraw/zinc/17/29/46/599172946.db2.gz BANYYMKQLVEONG-SFHVURJKSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735719297 599172950 /nfs/dbraw/zinc/17/29/50/599172950.db2.gz BANYYMKQLVEONG-SFHVURJKSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)c1ccc2cc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)[nH]c2c1 ZINC000820192336 599175540 /nfs/dbraw/zinc/17/55/40/599175540.db2.gz KHNHFSQODIHRQN-UHFFFAOYSA-N -1 3 378.411 3.541 20 0 GHADHM CC(C)c1ccc2cc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)[nH]c2c1 ZINC000820192336 599175542 /nfs/dbraw/zinc/17/55/42/599175542.db2.gz KHNHFSQODIHRQN-UHFFFAOYSA-N -1 3 378.411 3.541 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821970795 599176785 /nfs/dbraw/zinc/17/67/85/599176785.db2.gz SBQVWUDHSXAYRY-UHFFFAOYSA-N -1 3 397.435 3.545 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821970795 599176787 /nfs/dbraw/zinc/17/67/87/599176787.db2.gz SBQVWUDHSXAYRY-UHFFFAOYSA-N -1 3 397.435 3.545 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1CCSc2ccccc21 ZINC000738208263 599178965 /nfs/dbraw/zinc/17/89/65/599178965.db2.gz KYZYSRWVMPUSJF-NSHDSACASA-N -1 3 383.502 3.635 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1CCSc2ccccc21 ZINC000738208263 599178968 /nfs/dbraw/zinc/17/89/68/599178968.db2.gz KYZYSRWVMPUSJF-NSHDSACASA-N -1 3 383.502 3.635 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2cccc(F)c2o1 ZINC000738144726 599188486 /nfs/dbraw/zinc/18/84/86/599188486.db2.gz DTSFMSNOKYWZDS-UHFFFAOYSA-N -1 3 389.293 3.606 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2cccc(F)c2o1 ZINC000738144726 599188489 /nfs/dbraw/zinc/18/84/89/599188489.db2.gz DTSFMSNOKYWZDS-UHFFFAOYSA-N -1 3 389.293 3.606 20 0 GHADHM Cc1ocnc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737556493 599189990 /nfs/dbraw/zinc/18/99/90/599189990.db2.gz KGUKWAZXJWNDKR-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1ocnc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737556493 599189992 /nfs/dbraw/zinc/18/99/92/599189992.db2.gz KGUKWAZXJWNDKR-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000821571036 599193038 /nfs/dbraw/zinc/19/30/38/599193038.db2.gz WTMDHXAZVIHAFF-UHFFFAOYSA-N -1 3 384.443 3.609 20 0 GHADHM CCC(CC)(CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820887363 599201054 /nfs/dbraw/zinc/20/10/54/599201054.db2.gz ASOTVBSHHBKDHE-INIZCTEOSA-N -1 3 393.491 3.508 20 0 GHADHM CCC(CC)(CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820887363 599201055 /nfs/dbraw/zinc/20/10/55/599201055.db2.gz ASOTVBSHHBKDHE-INIZCTEOSA-N -1 3 393.491 3.508 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820949816 599201258 /nfs/dbraw/zinc/20/12/58/599201258.db2.gz GCJPEEHNQFRBOB-NRFANRHFSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820949816 599201260 /nfs/dbraw/zinc/20/12/60/599201260.db2.gz GCJPEEHNQFRBOB-NRFANRHFSA-N -1 3 395.463 3.691 20 0 GHADHM CC(C)n1ccc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000735965343 599214629 /nfs/dbraw/zinc/21/46/29/599214629.db2.gz KLMDIVCAMADTKM-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM CC(C)n1ccc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000735965343 599214630 /nfs/dbraw/zinc/21/46/30/599214630.db2.gz KLMDIVCAMADTKM-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cccc2Cl)s1 ZINC000738088911 599218686 /nfs/dbraw/zinc/21/86/86/599218686.db2.gz MYMSIPVAFKKLGN-UHFFFAOYSA-N -1 3 399.863 3.544 20 0 GHADHM O=C(CCc1ccco1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822983906 599219003 /nfs/dbraw/zinc/21/90/03/599219003.db2.gz XCUOCVVFVJPYHP-UHFFFAOYSA-N -1 3 393.378 3.962 20 0 GHADHM O=C(CCc1ccco1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822983906 599219005 /nfs/dbraw/zinc/21/90/05/599219005.db2.gz XCUOCVVFVJPYHP-UHFFFAOYSA-N -1 3 393.378 3.962 20 0 GHADHM C[C@H](SCC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549312 599222514 /nfs/dbraw/zinc/22/25/14/599222514.db2.gz MBGVWEHHJZLJCU-HNNXBMFYSA-N -1 3 393.516 3.857 20 0 GHADHM C[C@H](SCC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549312 599222516 /nfs/dbraw/zinc/22/25/16/599222516.db2.gz MBGVWEHHJZLJCU-HNNXBMFYSA-N -1 3 393.516 3.857 20 0 GHADHM Fc1cccc([C@@H]2CCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822787094 599229591 /nfs/dbraw/zinc/22/95/91/599229591.db2.gz VGVMFHVDXXYGCC-HNNXBMFYSA-N -1 3 388.859 3.803 20 0 GHADHM Fc1cccc([C@@H]2CCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822787094 599229593 /nfs/dbraw/zinc/22/95/93/599229593.db2.gz VGVMFHVDXXYGCC-HNNXBMFYSA-N -1 3 388.859 3.803 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820668610 599227691 /nfs/dbraw/zinc/22/76/91/599227691.db2.gz VJJNCORKNXZABO-SJKOYZFVSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820668610 599227695 /nfs/dbraw/zinc/22/76/95/599227695.db2.gz VJJNCORKNXZABO-SJKOYZFVSA-N -1 3 382.468 3.786 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822061583 607268733 /nfs/dbraw/zinc/26/87/33/607268733.db2.gz QYJCTHSMEBEAJW-HUUCEWRRSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822061583 607268734 /nfs/dbraw/zinc/26/87/34/607268734.db2.gz QYJCTHSMEBEAJW-HUUCEWRRSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1cccc(Cl)c1 ZINC000822116040 607267479 /nfs/dbraw/zinc/26/74/79/607267479.db2.gz LBVZQDZWMWTMNT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1cccc(Cl)c1 ZINC000822116040 607267480 /nfs/dbraw/zinc/26/74/80/607267480.db2.gz LBVZQDZWMWTMNT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(NC(=O)CCc2ncc(-c3ccccc3F)o2)cccc1-c1nnn[n-]1 ZINC000822065987 607269720 /nfs/dbraw/zinc/26/97/20/607269720.db2.gz CXQVGUPAPQYXHS-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM Cc1c(NC(=O)CCc2ncc(-c3ccccc3F)o2)cccc1-c1nn[n-]n1 ZINC000822065987 607269721 /nfs/dbraw/zinc/26/97/21/607269721.db2.gz CXQVGUPAPQYXHS-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000735874833 599248341 /nfs/dbraw/zinc/24/83/41/599248341.db2.gz NBVXFVFTHXICAH-GOSISDBHSA-N -1 3 391.475 3.560 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000735874833 599248344 /nfs/dbraw/zinc/24/83/44/599248344.db2.gz NBVXFVFTHXICAH-GOSISDBHSA-N -1 3 391.475 3.560 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339242 599256318 /nfs/dbraw/zinc/25/63/18/599256318.db2.gz AJQXDEKAFUJIEU-GUXCAODWSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339242 599256319 /nfs/dbraw/zinc/25/63/19/599256319.db2.gz AJQXDEKAFUJIEU-GUXCAODWSA-N -1 3 390.491 3.763 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822227864 607285983 /nfs/dbraw/zinc/28/59/83/607285983.db2.gz YPTQRYRGPNAOKP-UHFFFAOYSA-N -1 3 378.480 3.925 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822227864 607285984 /nfs/dbraw/zinc/28/59/84/607285984.db2.gz YPTQRYRGPNAOKP-UHFFFAOYSA-N -1 3 378.480 3.925 20 0 GHADHM CCCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821133894 599257850 /nfs/dbraw/zinc/25/78/50/599257850.db2.gz JTJROBQYKQMKBD-AWEZNQCLSA-N -1 3 380.452 3.847 20 0 GHADHM CCCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821133894 599257851 /nfs/dbraw/zinc/25/78/51/599257851.db2.gz JTJROBQYKQMKBD-AWEZNQCLSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(-c3cccnc3)cc2)cccc1-c1nnn[n-]1 ZINC000822104525 607293614 /nfs/dbraw/zinc/29/36/14/607293614.db2.gz NYOLCUYIXFNTAU-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(-c3cccnc3)cc2)cccc1-c1nn[n-]n1 ZINC000822104525 607293615 /nfs/dbraw/zinc/29/36/15/607293615.db2.gz NYOLCUYIXFNTAU-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1c(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061400 607293880 /nfs/dbraw/zinc/29/38/80/607293880.db2.gz NDWSBLXMLOPIHX-FQEVSTJZSA-N -1 3 385.427 3.934 20 0 GHADHM Cc1c(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061400 607293881 /nfs/dbraw/zinc/29/38/81/607293881.db2.gz NDWSBLXMLOPIHX-FQEVSTJZSA-N -1 3 385.427 3.934 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913538 599260019 /nfs/dbraw/zinc/26/00/19/599260019.db2.gz IJSQIASJXWYOIG-BEFAXECRSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913538 599260020 /nfs/dbraw/zinc/26/00/20/599260020.db2.gz IJSQIASJXWYOIG-BEFAXECRSA-N -1 3 378.480 3.590 20 0 GHADHM Cc1c(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061557 607297248 /nfs/dbraw/zinc/29/72/48/607297248.db2.gz PYPSNSIMUBJPGF-LJQANCHMSA-N -1 3 377.448 3.814 20 0 GHADHM Cc1c(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061557 607297249 /nfs/dbraw/zinc/29/72/49/607297249.db2.gz PYPSNSIMUBJPGF-LJQANCHMSA-N -1 3 377.448 3.814 20 0 GHADHM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887625 599262948 /nfs/dbraw/zinc/26/29/48/599262948.db2.gz JPDOBASVBIGXIY-MRXNPFEDSA-N -1 3 392.507 3.985 20 0 GHADHM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887625 599262949 /nfs/dbraw/zinc/26/29/49/599262949.db2.gz JPDOBASVBIGXIY-MRXNPFEDSA-N -1 3 392.507 3.985 20 0 GHADHM CCCCOc1ccc(OC)cc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821077658 607312263 /nfs/dbraw/zinc/31/22/63/607312263.db2.gz PDPBWSKARVINJB-UHFFFAOYSA-N -1 3 383.452 3.675 20 0 GHADHM CCCCOc1ccc(OC)cc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821077658 607312264 /nfs/dbraw/zinc/31/22/64/607312264.db2.gz PDPBWSKARVINJB-UHFFFAOYSA-N -1 3 383.452 3.675 20 0 GHADHM c1sc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)cc1-c1nnn[n-]1 ZINC000823756463 607314497 /nfs/dbraw/zinc/31/44/97/607314497.db2.gz AGPMZVBLRMIRJV-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM c1sc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)cc1-c1nn[n-]n1 ZINC000823756463 607314498 /nfs/dbraw/zinc/31/44/98/607314498.db2.gz AGPMZVBLRMIRJV-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(-c5nnn[n-]5)cc4)cc3)C[C@@H]21 ZINC000820586448 599266353 /nfs/dbraw/zinc/26/63/53/599266353.db2.gz WIQTVHUBLXJBPB-HDICACEKSA-N -1 3 390.447 3.779 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(-c5nn[n-]n5)cc4)cc3)C[C@@H]21 ZINC000820586448 599266355 /nfs/dbraw/zinc/26/63/55/599266355.db2.gz WIQTVHUBLXJBPB-HDICACEKSA-N -1 3 390.447 3.779 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC2(C1)CCCCCC2 ZINC000821762413 599271839 /nfs/dbraw/zinc/27/18/39/599271839.db2.gz KSMAHHNDBZPBIO-UHFFFAOYSA-N -1 3 384.484 3.844 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC2(C1)CCCCCC2 ZINC000821762413 599271841 /nfs/dbraw/zinc/27/18/41/599271841.db2.gz KSMAHHNDBZPBIO-UHFFFAOYSA-N -1 3 384.484 3.844 20 0 GHADHM C[C@@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115482 599274927 /nfs/dbraw/zinc/27/49/27/599274927.db2.gz YITNNZDYELLCCK-CQSZACIVSA-N -1 3 382.512 3.976 20 0 GHADHM C[C@@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115482 599274928 /nfs/dbraw/zinc/27/49/28/599274928.db2.gz YITNNZDYELLCCK-CQSZACIVSA-N -1 3 382.512 3.976 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cc(C)ccc1C ZINC000736487572 599276691 /nfs/dbraw/zinc/27/66/91/599276691.db2.gz IGFMFTPNFSGIOR-UHFFFAOYSA-N -1 3 394.479 3.713 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1oc2ccccc2c1C ZINC000736487100 599276806 /nfs/dbraw/zinc/27/68/06/599276806.db2.gz CIMGKXFOUQCSQX-UHFFFAOYSA-N -1 3 376.420 3.996 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821062189 599280974 /nfs/dbraw/zinc/28/09/74/599280974.db2.gz VMYWYYFWFZICGQ-OAHLLOKOSA-N -1 3 393.495 3.986 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821062189 599280976 /nfs/dbraw/zinc/28/09/76/599280976.db2.gz VMYWYYFWFZICGQ-OAHLLOKOSA-N -1 3 393.495 3.986 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(-c5nnn[n-]5)c4)cc3)C[C@@H]21 ZINC000820582766 599281542 /nfs/dbraw/zinc/28/15/42/599281542.db2.gz ACIPCVWMUPYRPZ-HDICACEKSA-N -1 3 390.447 3.779 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(-c5nn[n-]n5)c4)cc3)C[C@@H]21 ZINC000820582766 599281545 /nfs/dbraw/zinc/28/15/45/599281545.db2.gz ACIPCVWMUPYRPZ-HDICACEKSA-N -1 3 390.447 3.779 20 0 GHADHM Cc1sc2nc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n(C)c(=O)c2c1C ZINC000737564964 599286385 /nfs/dbraw/zinc/28/63/85/599286385.db2.gz UUVQAPSALWPVPK-LLVKDONJSA-N -1 3 398.517 3.645 20 0 GHADHM Cc1sc2nc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n(C)c(=O)c2c1C ZINC000737564964 599286388 /nfs/dbraw/zinc/28/63/88/599286388.db2.gz UUVQAPSALWPVPK-LLVKDONJSA-N -1 3 398.517 3.645 20 0 GHADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1CCc1cccs1 ZINC000737531840 599290264 /nfs/dbraw/zinc/29/02/64/599290264.db2.gz FTPBXZYCYWAFNW-LBPRGKRZSA-N -1 3 397.533 3.924 20 0 GHADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1CCc1cccs1 ZINC000737531840 599290266 /nfs/dbraw/zinc/29/02/66/599290266.db2.gz FTPBXZYCYWAFNW-LBPRGKRZSA-N -1 3 397.533 3.924 20 0 GHADHM CCCCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736461154 599292074 /nfs/dbraw/zinc/29/20/74/599292074.db2.gz SWCDMJSEOBGEPD-UHFFFAOYSA-N -1 3 395.463 3.509 20 0 GHADHM CCCCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736461154 599292075 /nfs/dbraw/zinc/29/20/75/599292075.db2.gz SWCDMJSEOBGEPD-UHFFFAOYSA-N -1 3 395.463 3.509 20 0 GHADHM COC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683449 607326279 /nfs/dbraw/zinc/32/62/79/607326279.db2.gz AWRUARNFXZBPKZ-CQSZACIVSA-N -1 3 399.323 3.963 20 0 GHADHM COC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683449 607326280 /nfs/dbraw/zinc/32/62/80/607326280.db2.gz AWRUARNFXZBPKZ-CQSZACIVSA-N -1 3 399.323 3.963 20 0 GHADHM CC(C)(C)CCCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735601978 598233711 /nfs/dbraw/zinc/23/37/11/598233711.db2.gz IZGZBRYAJPLJLP-UHFFFAOYSA-N -1 3 397.479 3.985 20 0 GHADHM CC(C)(C)CCCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735601978 598233712 /nfs/dbraw/zinc/23/37/12/598233712.db2.gz IZGZBRYAJPLJLP-UHFFFAOYSA-N -1 3 397.479 3.985 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1)c1ccccc1 ZINC000738181826 598239116 /nfs/dbraw/zinc/23/91/16/598239116.db2.gz AJAAKRAKMYUXMN-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736798371 598246908 /nfs/dbraw/zinc/24/69/08/598246908.db2.gz XONLTFLUHCFOKW-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736798371 598246909 /nfs/dbraw/zinc/24/69/09/598246909.db2.gz XONLTFLUHCFOKW-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737190550 598262428 /nfs/dbraw/zinc/26/24/28/598262428.db2.gz NHEHJMFZVVXGRI-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737190550 598262429 /nfs/dbraw/zinc/26/24/29/598262429.db2.gz NHEHJMFZVVXGRI-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738152183 598264222 /nfs/dbraw/zinc/26/42/22/598264222.db2.gz QKLAFCNOAUVAQL-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738152183 598264224 /nfs/dbraw/zinc/26/42/24/598264224.db2.gz QKLAFCNOAUVAQL-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736261622 598264506 /nfs/dbraw/zinc/26/45/06/598264506.db2.gz LBIPBTSKQKKSRR-FZKQIMNGSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736261622 598264507 /nfs/dbraw/zinc/26/45/07/598264507.db2.gz LBIPBTSKQKKSRR-FZKQIMNGSA-N -1 3 378.436 3.969 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000737063193 598265046 /nfs/dbraw/zinc/26/50/46/598265046.db2.gz OKEXVZINOXKLMT-SFHVURJKSA-N -1 3 378.436 3.538 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000737063193 598265048 /nfs/dbraw/zinc/26/50/48/598265048.db2.gz OKEXVZINOXKLMT-SFHVURJKSA-N -1 3 378.436 3.538 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc2ccccc2c1 ZINC000736634140 598265140 /nfs/dbraw/zinc/26/51/40/598265140.db2.gz IOXCJTBOPPCIKL-UHFFFAOYSA-N -1 3 388.431 3.740 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc2ccccc2c1 ZINC000736634140 598265142 /nfs/dbraw/zinc/26/51/42/598265142.db2.gz IOXCJTBOPPCIKL-UHFFFAOYSA-N -1 3 388.431 3.740 20 0 GHADHM CCOCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736611509 598267295 /nfs/dbraw/zinc/26/72/95/598267295.db2.gz QORLUPCQUQBBDX-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM CCOCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736611509 598267298 /nfs/dbraw/zinc/26/72/98/598267298.db2.gz QORLUPCQUQBBDX-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM CCC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccn1 ZINC000736431432 598270734 /nfs/dbraw/zinc/27/07/34/598270734.db2.gz FRRFERDJQDHSQC-LJQANCHMSA-N -1 3 393.495 3.723 20 0 GHADHM CCC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccn1 ZINC000736431432 598270738 /nfs/dbraw/zinc/27/07/38/598270738.db2.gz FRRFERDJQDHSQC-LJQANCHMSA-N -1 3 393.495 3.723 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000737320981 598271115 /nfs/dbraw/zinc/27/11/15/598271115.db2.gz AGBZTFWXLGAIAI-CQSZACIVSA-N -1 3 382.493 3.615 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000737320981 598271116 /nfs/dbraw/zinc/27/11/16/598271116.db2.gz AGBZTFWXLGAIAI-CQSZACIVSA-N -1 3 382.493 3.615 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1cnn(-c2ccccc2)c1 ZINC000737627327 598275770 /nfs/dbraw/zinc/27/57/70/598275770.db2.gz PQHBNJBOECUPTP-UHFFFAOYSA-N -1 3 399.380 3.726 20 0 GHADHM FC(F)(F)c1cc(NCCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737633767 598276090 /nfs/dbraw/zinc/27/60/90/598276090.db2.gz VWBSORVWTNHKJX-UHFFFAOYSA-N -1 3 399.380 3.726 20 0 GHADHM FC(F)(F)c1cc(NCCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737633767 598276091 /nfs/dbraw/zinc/27/60/91/598276091.db2.gz VWBSORVWTNHKJX-UHFFFAOYSA-N -1 3 399.380 3.726 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736636072 598276145 /nfs/dbraw/zinc/27/61/45/598276145.db2.gz HFBDLPSMXBZTIT-CYBMUJFWSA-N -1 3 397.483 3.705 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736636072 598276146 /nfs/dbraw/zinc/27/61/46/598276146.db2.gz HFBDLPSMXBZTIT-CYBMUJFWSA-N -1 3 397.483 3.705 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1cccs1)C1CC1 ZINC000735661930 598276264 /nfs/dbraw/zinc/27/62/64/598276264.db2.gz YUJHFOWYQFTWJE-HNNXBMFYSA-N -1 3 385.497 3.758 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1cccs1)C1CC1 ZINC000735661930 598276266 /nfs/dbraw/zinc/27/62/66/598276266.db2.gz YUJHFOWYQFTWJE-HNNXBMFYSA-N -1 3 385.497 3.758 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000735660620 598277686 /nfs/dbraw/zinc/27/76/86/598277686.db2.gz NHBIOXQWBJIVPW-AWEZNQCLSA-N -1 3 385.497 3.854 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000735660620 598277688 /nfs/dbraw/zinc/27/76/88/598277688.db2.gz NHBIOXQWBJIVPW-AWEZNQCLSA-N -1 3 385.497 3.854 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737805108 598278509 /nfs/dbraw/zinc/27/85/09/598278509.db2.gz GVSUDDDJGSOJSB-BQYQJAHWSA-N -1 3 398.467 3.773 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737805108 598278510 /nfs/dbraw/zinc/27/85/10/598278510.db2.gz GVSUDDDJGSOJSB-BQYQJAHWSA-N -1 3 398.467 3.773 20 0 GHADHM CC(C)Oc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000735913826 598279116 /nfs/dbraw/zinc/27/91/16/598279116.db2.gz RLNSKULAFUFCEY-UHFFFAOYSA-N -1 3 397.483 3.532 20 0 GHADHM CC(C)Oc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000735913826 598279117 /nfs/dbraw/zinc/27/91/17/598279117.db2.gz RLNSKULAFUFCEY-UHFFFAOYSA-N -1 3 397.483 3.532 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000737640484 598296288 /nfs/dbraw/zinc/29/62/88/598296288.db2.gz YSMGYPOXOUPBGP-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000737640484 598296290 /nfs/dbraw/zinc/29/62/90/598296290.db2.gz YSMGYPOXOUPBGP-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737464278 598296307 /nfs/dbraw/zinc/29/63/07/598296307.db2.gz IPXGSYRVNWVDBR-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737464278 598296309 /nfs/dbraw/zinc/29/63/09/598296309.db2.gz IPXGSYRVNWVDBR-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736325586 598297230 /nfs/dbraw/zinc/29/72/30/598297230.db2.gz FTWPXYUWXXTACY-OMACXJQVSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736325586 598297232 /nfs/dbraw/zinc/29/72/32/598297232.db2.gz FTWPXYUWXXTACY-OMACXJQVSA-N -1 3 391.475 3.716 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737463973 598302239 /nfs/dbraw/zinc/30/22/39/598302239.db2.gz BDMATGDWECWHTK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737463973 598302241 /nfs/dbraw/zinc/30/22/41/598302241.db2.gz BDMATGDWECWHTK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735652896 598302594 /nfs/dbraw/zinc/30/25/94/598302594.db2.gz XLECMIDCHSRSHB-UHFFFAOYSA-N -1 3 399.495 3.712 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735652896 598302595 /nfs/dbraw/zinc/30/25/95/598302595.db2.gz XLECMIDCHSRSHB-UHFFFAOYSA-N -1 3 399.495 3.712 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112056 598303648 /nfs/dbraw/zinc/30/36/48/598303648.db2.gz OZFSJSKCDNFUCM-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112056 598303649 /nfs/dbraw/zinc/30/36/49/598303649.db2.gz OZFSJSKCDNFUCM-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737947837 598303817 /nfs/dbraw/zinc/30/38/17/598303817.db2.gz QCOIEDHBSIASBE-UHFFFAOYSA-N -1 3 393.447 3.568 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737947837 598303819 /nfs/dbraw/zinc/30/38/19/598303819.db2.gz QCOIEDHBSIASBE-UHFFFAOYSA-N -1 3 393.447 3.568 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000738253607 598308111 /nfs/dbraw/zinc/30/81/11/598308111.db2.gz DXAJQWUMPDWSPT-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000738253607 598308112 /nfs/dbraw/zinc/30/81/12/598308112.db2.gz DXAJQWUMPDWSPT-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1cccs1)C1CC1 ZINC000738401816 598319660 /nfs/dbraw/zinc/31/96/60/598319660.db2.gz USPZYSVVNHVNRT-UHFFFAOYSA-N -1 3 390.925 3.943 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1cccs1)C1CC1 ZINC000738401816 598319662 /nfs/dbraw/zinc/31/96/62/598319662.db2.gz USPZYSVVNHVNRT-UHFFFAOYSA-N -1 3 390.925 3.943 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736324933 598321690 /nfs/dbraw/zinc/32/16/90/598321690.db2.gz DCPDMOUYHHOHRB-AYJWMTRPSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736324933 598321691 /nfs/dbraw/zinc/32/16/91/598321691.db2.gz DCPDMOUYHHOHRB-AYJWMTRPSA-N -1 3 378.432 3.801 20 0 GHADHM O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738144853 598361086 /nfs/dbraw/zinc/36/10/86/598361086.db2.gz NYLLLMGMWWDHSS-UHFFFAOYSA-N -1 3 399.389 3.801 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000735627670 598389046 /nfs/dbraw/zinc/38/90/46/598389046.db2.gz NZEPSBUCJCAUGW-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000735627670 598389048 /nfs/dbraw/zinc/38/90/48/598389048.db2.gz NZEPSBUCJCAUGW-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cccc(OCc2ccccn2)c1 ZINC000737559456 598390423 /nfs/dbraw/zinc/39/04/23/598390423.db2.gz YIDHUSZPNHDSNR-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cccc(OCc2ccccn2)c1 ZINC000737559456 598390424 /nfs/dbraw/zinc/39/04/24/598390424.db2.gz YIDHUSZPNHDSNR-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1SC(F)F ZINC000737062468 598421378 /nfs/dbraw/zinc/42/13/78/598421378.db2.gz NRKDMUNTATXWPI-UHFFFAOYSA-N -1 3 383.405 3.504 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1SC(F)F ZINC000737062468 598421381 /nfs/dbraw/zinc/42/13/81/598421381.db2.gz NRKDMUNTATXWPI-UHFFFAOYSA-N -1 3 383.405 3.504 20 0 GHADHM CCOc1ccccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736655251 598426077 /nfs/dbraw/zinc/42/60/77/598426077.db2.gz SHGYQKMQWLPDMR-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CCOc1ccccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736655251 598426078 /nfs/dbraw/zinc/42/60/78/598426078.db2.gz SHGYQKMQWLPDMR-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000736364102 598429509 /nfs/dbraw/zinc/42/95/09/598429509.db2.gz RDUGRUBMEBAAJX-LJQANCHMSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000736364102 598429510 /nfs/dbraw/zinc/42/95/10/598429510.db2.gz RDUGRUBMEBAAJX-LJQANCHMSA-N -1 3 378.480 3.938 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000736017567 598429782 /nfs/dbraw/zinc/42/97/82/598429782.db2.gz PQVTYFPOBSJWRF-HNNXBMFYSA-N -1 3 396.470 3.730 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000736017567 598429784 /nfs/dbraw/zinc/42/97/84/598429784.db2.gz PQVTYFPOBSJWRF-HNNXBMFYSA-N -1 3 396.470 3.730 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735651721 598442221 /nfs/dbraw/zinc/44/22/21/598442221.db2.gz WUYBHJNNANPACS-UHFFFAOYSA-N -1 3 377.492 3.803 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735651721 598442222 /nfs/dbraw/zinc/44/22/22/598442222.db2.gz WUYBHJNNANPACS-UHFFFAOYSA-N -1 3 377.492 3.803 20 0 GHADHM CC(C)(NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000735679041 598449956 /nfs/dbraw/zinc/44/99/56/598449956.db2.gz YSHAGEZSMLMOOX-UHFFFAOYSA-N -1 3 381.383 3.612 20 0 GHADHM CC(C)(NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000735679041 598449958 /nfs/dbraw/zinc/44/99/58/598449958.db2.gz YSHAGEZSMLMOOX-UHFFFAOYSA-N -1 3 381.383 3.612 20 0 GHADHM CSCc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737180555 598450216 /nfs/dbraw/zinc/45/02/16/598450216.db2.gz CUIBXIWJICRCSC-GOSISDBHSA-N -1 3 397.504 3.772 20 0 GHADHM CSCc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737180555 598450218 /nfs/dbraw/zinc/45/02/18/598450218.db2.gz CUIBXIWJICRCSC-GOSISDBHSA-N -1 3 397.504 3.772 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738151996 598469032 /nfs/dbraw/zinc/46/90/32/598469032.db2.gz OFDIRGCVEDTURL-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738151996 598469033 /nfs/dbraw/zinc/46/90/33/598469033.db2.gz OFDIRGCVEDTURL-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737379371 598479844 /nfs/dbraw/zinc/47/98/44/598479844.db2.gz WDCAIPXPETXDEZ-HXUWFJFHSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737379371 598479845 /nfs/dbraw/zinc/47/98/45/598479845.db2.gz WDCAIPXPETXDEZ-HXUWFJFHSA-N -1 3 388.475 3.537 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114604 598485379 /nfs/dbraw/zinc/48/53/79/598485379.db2.gz HTYGQRGCPACSQP-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114604 598485381 /nfs/dbraw/zinc/48/53/81/598485381.db2.gz HTYGQRGCPACSQP-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156090 598486094 /nfs/dbraw/zinc/48/60/94/598486094.db2.gz UIBRFRHWYPSNFS-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156090 598486096 /nfs/dbraw/zinc/48/60/96/598486096.db2.gz UIBRFRHWYPSNFS-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148448 598486217 /nfs/dbraw/zinc/48/62/17/598486217.db2.gz CVNMRMOHXNBBAJ-BJPMOSCESA-N -1 3 389.209 3.540 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148448 598486218 /nfs/dbraw/zinc/48/62/18/598486218.db2.gz CVNMRMOHXNBBAJ-BJPMOSCESA-N -1 3 389.209 3.540 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000735656533 598487549 /nfs/dbraw/zinc/48/75/49/598487549.db2.gz ZSXNKIDVVVETPU-CABCVRRESA-N -1 3 384.871 3.819 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000735656533 598487550 /nfs/dbraw/zinc/48/75/50/598487550.db2.gz ZSXNKIDVVVETPU-CABCVRRESA-N -1 3 384.871 3.819 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000735662671 598488344 /nfs/dbraw/zinc/48/83/44/598488344.db2.gz VXSWYHVSMTZPHA-UHFFFAOYSA-N -1 3 379.251 3.982 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000735662671 598488346 /nfs/dbraw/zinc/48/83/46/598488346.db2.gz VXSWYHVSMTZPHA-UHFFFAOYSA-N -1 3 379.251 3.982 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)COc1cccc2ccccc21 ZINC000735660640 598489263 /nfs/dbraw/zinc/48/92/63/598489263.db2.gz NNSHQMYNNVKENS-UHFFFAOYSA-N -1 3 390.447 3.594 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)COc1cccc2ccccc21 ZINC000735660640 598489265 /nfs/dbraw/zinc/48/92/65/598489265.db2.gz NNSHQMYNNVKENS-UHFFFAOYSA-N -1 3 390.447 3.594 20 0 GHADHM O=[S@](Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000738357791 598491692 /nfs/dbraw/zinc/49/16/92/598491692.db2.gz SFPUPIIFYVJCAG-RUZDIDTESA-N -1 3 386.786 3.847 20 0 GHADHM O=[S@](Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000738357791 598491694 /nfs/dbraw/zinc/49/16/94/598491694.db2.gz SFPUPIIFYVJCAG-RUZDIDTESA-N -1 3 386.786 3.847 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736447872 598495817 /nfs/dbraw/zinc/49/58/17/598495817.db2.gz VBASEJUDILZHNA-SFHVURJKSA-N -1 3 398.555 3.902 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736447872 598495818 /nfs/dbraw/zinc/49/58/18/598495818.db2.gz VBASEJUDILZHNA-SFHVURJKSA-N -1 3 398.555 3.902 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(CC1CC1)C1CCCCC1 ZINC000737931463 598499007 /nfs/dbraw/zinc/49/90/07/598499007.db2.gz HBGZKWPBTFWGGO-UHFFFAOYSA-N -1 3 385.537 3.671 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(CC1CC1)C1CCCCC1 ZINC000737931463 598499009 /nfs/dbraw/zinc/49/90/09/598499009.db2.gz HBGZKWPBTFWGGO-UHFFFAOYSA-N -1 3 385.537 3.671 20 0 GHADHM CCCN(Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480126 598502965 /nfs/dbraw/zinc/50/29/65/598502965.db2.gz KRZASNUXTNMGNU-UHFFFAOYSA-N -1 3 380.477 3.995 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc3cccc(OC)c3o2)c1-c1nnn[n-]1 ZINC000736676236 598516143 /nfs/dbraw/zinc/51/61/43/598516143.db2.gz PKSROXRDIKILDJ-UHFFFAOYSA-N -1 3 383.433 3.806 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc3cccc(OC)c3o2)c1-c1nn[n-]n1 ZINC000736676236 598516145 /nfs/dbraw/zinc/51/61/45/598516145.db2.gz PKSROXRDIKILDJ-UHFFFAOYSA-N -1 3 383.433 3.806 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000736675763 598517331 /nfs/dbraw/zinc/51/73/31/598517331.db2.gz MFOWVYFHQQVAGQ-UHFFFAOYSA-N -1 3 389.506 3.538 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000736675763 598517332 /nfs/dbraw/zinc/51/73/32/598517332.db2.gz MFOWVYFHQQVAGQ-UHFFFAOYSA-N -1 3 389.506 3.538 20 0 GHADHM Cc1c(NCc2ccc(-c3nnn[n-]3)cc2F)cccc1OCC(F)(F)F ZINC000737219803 598522423 /nfs/dbraw/zinc/52/24/23/598522423.db2.gz SZJMISGCQLAAFY-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1c(NCc2ccc(-c3nn[n-]n3)cc2F)cccc1OCC(F)(F)F ZINC000737219803 598522424 /nfs/dbraw/zinc/52/24/24/598522424.db2.gz SZJMISGCQLAAFY-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735963837 598542794 /nfs/dbraw/zinc/54/27/94/598542794.db2.gz OTBUHECSYNAFSA-CQSZACIVSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735963837 598542796 /nfs/dbraw/zinc/54/27/96/598542796.db2.gz OTBUHECSYNAFSA-CQSZACIVSA-N -1 3 394.454 3.516 20 0 GHADHM CN(CC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736793865 598558831 /nfs/dbraw/zinc/55/88/31/598558831.db2.gz NGUXXHBPWIXQRL-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM CN(CC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736793865 598558833 /nfs/dbraw/zinc/55/88/33/598558833.db2.gz NGUXXHBPWIXQRL-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c2ccccc21 ZINC000736281576 598562375 /nfs/dbraw/zinc/56/23/75/598562375.db2.gz UOGHYNONEFWALR-JTQLQIEISA-N -1 3 386.362 3.624 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c2ccccc21 ZINC000736281576 598562376 /nfs/dbraw/zinc/56/23/76/598562376.db2.gz UOGHYNONEFWALR-JTQLQIEISA-N -1 3 386.362 3.624 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736263614 598565385 /nfs/dbraw/zinc/56/53/85/598565385.db2.gz RLWAXRWAPAMGNV-ACJLOTCBSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736263614 598565386 /nfs/dbraw/zinc/56/53/86/598565386.db2.gz RLWAXRWAPAMGNV-ACJLOTCBSA-N -1 3 378.436 3.969 20 0 GHADHM O=C(NCc1ccoc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738125317 598565716 /nfs/dbraw/zinc/56/57/16/598565716.db2.gz ZASSKLSIIVPVKK-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM O=C(NCc1ccoc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738125317 598565717 /nfs/dbraw/zinc/56/57/17/598565717.db2.gz ZASSKLSIIVPVKK-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000736481715 598568199 /nfs/dbraw/zinc/56/81/99/598568199.db2.gz ZRAHKLUXSMPRCR-IRXDYDNUSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000736481715 598568200 /nfs/dbraw/zinc/56/82/00/598568200.db2.gz ZRAHKLUXSMPRCR-IRXDYDNUSA-N -1 3 397.429 3.687 20 0 GHADHM O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737954507 598568548 /nfs/dbraw/zinc/56/85/48/598568548.db2.gz ZDZJYZHNVNLJTB-UHFFFAOYSA-N -1 3 379.470 3.965 20 0 GHADHM O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737954507 598568550 /nfs/dbraw/zinc/56/85/50/598568550.db2.gz ZDZJYZHNVNLJTB-UHFFFAOYSA-N -1 3 379.470 3.965 20 0 GHADHM O=C(Nc1cccc2ccccc21)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738183548 598571042 /nfs/dbraw/zinc/57/10/42/598571042.db2.gz JKUXMLYEZAXGTD-HXUWFJFHSA-N -1 3 384.443 3.627 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738160843 598583854 /nfs/dbraw/zinc/58/38/54/598583854.db2.gz DEIIEGXNVVZTOU-GOSISDBHSA-N -1 3 381.411 3.645 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738160843 598583855 /nfs/dbraw/zinc/58/38/55/598583855.db2.gz DEIIEGXNVVZTOU-GOSISDBHSA-N -1 3 381.411 3.645 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736183477 598585655 /nfs/dbraw/zinc/58/56/55/598585655.db2.gz RZYBXTRZMHBGLG-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736183477 598585656 /nfs/dbraw/zinc/58/56/56/598585656.db2.gz RZYBXTRZMHBGLG-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cs2)cc1 ZINC000737289827 598589321 /nfs/dbraw/zinc/58/93/21/598589321.db2.gz XPILIORSLQDXHC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737289827 598589323 /nfs/dbraw/zinc/58/93/23/598589323.db2.gz XPILIORSLQDXHC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM c1cncc(COc2ccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)cc2)c1 ZINC000738446258 598611863 /nfs/dbraw/zinc/61/18/63/598611863.db2.gz SWELSBKAJXPYJN-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cncc(COc2ccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)cc2)c1 ZINC000738446258 598611865 /nfs/dbraw/zinc/61/18/65/598611865.db2.gz SWELSBKAJXPYJN-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737594667 598618108 /nfs/dbraw/zinc/61/81/08/598618108.db2.gz VNBVLTMIHRJIEH-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737594667 598618109 /nfs/dbraw/zinc/61/81/09/598618109.db2.gz VNBVLTMIHRJIEH-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM CCCN(CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736470960 598634268 /nfs/dbraw/zinc/63/42/68/598634268.db2.gz QLLHDQQDRXREAF-UHFFFAOYSA-N -1 3 398.442 3.849 20 0 GHADHM CCCN(CC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736470960 598634270 /nfs/dbraw/zinc/63/42/70/598634270.db2.gz QLLHDQQDRXREAF-UHFFFAOYSA-N -1 3 398.442 3.849 20 0 GHADHM CCc1nc([C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000736700817 598643289 /nfs/dbraw/zinc/64/32/89/598643289.db2.gz WUWYDPPYSVUDOY-MRVPVSSYSA-N -1 3 393.929 3.587 20 0 GHADHM CCc1nc([C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000736700817 598643291 /nfs/dbraw/zinc/64/32/91/598643291.db2.gz WUWYDPPYSVUDOY-MRVPVSSYSA-N -1 3 393.929 3.587 20 0 GHADHM Fc1ccc(CSc2nncn2-c2cccc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000737648172 598643456 /nfs/dbraw/zinc/64/34/56/598643456.db2.gz GTLJRJKDYCXIIC-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1ccc(CSc2nncn2-c2cccc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000737648172 598643457 /nfs/dbraw/zinc/64/34/57/598643457.db2.gz GTLJRJKDYCXIIC-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM CCCCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736442692 598644376 /nfs/dbraw/zinc/64/43/76/598644376.db2.gz YLRCAUJWQNEQFU-AWEZNQCLSA-N -1 3 380.452 3.753 20 0 GHADHM CCCCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736442692 598644378 /nfs/dbraw/zinc/64/43/78/598644378.db2.gz YLRCAUJWQNEQFU-AWEZNQCLSA-N -1 3 380.452 3.753 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736689462 598646931 /nfs/dbraw/zinc/64/69/31/598646931.db2.gz WUYMPRPNZVQNKP-MRXNPFEDSA-N -1 3 393.491 3.856 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736689462 598646932 /nfs/dbraw/zinc/64/69/32/598646932.db2.gz WUYMPRPNZVQNKP-MRXNPFEDSA-N -1 3 393.491 3.856 20 0 GHADHM O=C(Nc1ccc2c(c1)CCC2)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738173111 598647150 /nfs/dbraw/zinc/64/71/50/598647150.db2.gz BWUPCDJFPZJKIW-UHFFFAOYSA-N -1 3 398.426 3.795 20 0 GHADHM O=C(Nc1ccc2c(c1)CCC2)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738173111 598647152 /nfs/dbraw/zinc/64/71/52/598647152.db2.gz BWUPCDJFPZJKIW-UHFFFAOYSA-N -1 3 398.426 3.795 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C)c(Cl)c1 ZINC000737025781 598649271 /nfs/dbraw/zinc/64/92/71/598649271.db2.gz MYYIDMPOPQPTRX-UHFFFAOYSA-N -1 3 379.203 3.710 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C)c(Cl)c1 ZINC000737025781 598649272 /nfs/dbraw/zinc/64/92/72/598649272.db2.gz MYYIDMPOPQPTRX-UHFFFAOYSA-N -1 3 379.203 3.710 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736253685 598650002 /nfs/dbraw/zinc/65/00/02/598650002.db2.gz VLTXPJYVQWLRRE-PBHICJAKSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736253685 598650003 /nfs/dbraw/zinc/65/00/03/598650003.db2.gz VLTXPJYVQWLRRE-PBHICJAKSA-N -1 3 392.463 3.705 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1c(Cl)cccc1Cl ZINC000737940330 598652505 /nfs/dbraw/zinc/65/25/05/598652505.db2.gz DUZZZUIAPXXVCP-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1c(Cl)cccc1Cl ZINC000737940330 598652507 /nfs/dbraw/zinc/65/25/07/598652507.db2.gz DUZZZUIAPXXVCP-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(SC(F)F)c1 ZINC000737949037 598659257 /nfs/dbraw/zinc/65/92/57/598659257.db2.gz VVGIJWSXSKHLHF-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(SC(F)F)c1 ZINC000737949037 598659259 /nfs/dbraw/zinc/65/92/59/598659259.db2.gz VVGIJWSXSKHLHF-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCCCC1 ZINC000738248191 598667463 /nfs/dbraw/zinc/66/74/63/598667463.db2.gz WPALMOUQIBGWRA-UHFFFAOYSA-N -1 3 391.431 3.605 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCCCC1 ZINC000738248191 598667465 /nfs/dbraw/zinc/66/74/65/598667465.db2.gz WPALMOUQIBGWRA-UHFFFAOYSA-N -1 3 391.431 3.605 20 0 GHADHM CCCC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736436128 598698975 /nfs/dbraw/zinc/69/89/75/598698975.db2.gz AZTDAJXEDGWOME-GOSISDBHSA-N -1 3 380.452 3.928 20 0 GHADHM CCCC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736436128 598698976 /nfs/dbraw/zinc/69/89/76/598698976.db2.gz AZTDAJXEDGWOME-GOSISDBHSA-N -1 3 380.452 3.928 20 0 GHADHM CCCC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736436665 598699101 /nfs/dbraw/zinc/69/91/01/598699101.db2.gz FIBDRQFVFLMFIB-SFHVURJKSA-N -1 3 380.452 3.928 20 0 GHADHM CCCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736436665 598699102 /nfs/dbraw/zinc/69/91/02/598699102.db2.gz FIBDRQFVFLMFIB-SFHVURJKSA-N -1 3 380.452 3.928 20 0 GHADHM Cc1cc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)no1 ZINC000737261213 598704018 /nfs/dbraw/zinc/70/40/18/598704018.db2.gz CRIVCHVZQWMXHE-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM Cc1cc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)no1 ZINC000737261213 598704019 /nfs/dbraw/zinc/70/40/19/598704019.db2.gz CRIVCHVZQWMXHE-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112528 598716590 /nfs/dbraw/zinc/71/65/90/598716590.db2.gz IZEARTLBSRKLSO-KYNGSXCRSA-N -1 3 376.464 3.563 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112528 598716592 /nfs/dbraw/zinc/71/65/92/598716592.db2.gz IZEARTLBSRKLSO-KYNGSXCRSA-N -1 3 376.464 3.563 20 0 GHADHM Fc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1Br ZINC000737659559 598723234 /nfs/dbraw/zinc/72/32/34/598723234.db2.gz JBNFIWMCHFOKRT-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1Br ZINC000737659559 598723235 /nfs/dbraw/zinc/72/32/35/598723235.db2.gz JBNFIWMCHFOKRT-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM O=C(OC/C=C/c1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738220335 598727149 /nfs/dbraw/zinc/72/71/49/598727149.db2.gz GDPDOTBBALGCIB-QPJJXVBHSA-N -1 3 399.410 3.924 20 0 GHADHM O=C(OC/C=C/c1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738220335 598727150 /nfs/dbraw/zinc/72/71/50/598727150.db2.gz GDPDOTBBALGCIB-QPJJXVBHSA-N -1 3 399.410 3.924 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000736298060 598731705 /nfs/dbraw/zinc/73/17/05/598731705.db2.gz OLBRQZFEMHCEQH-QRWLVFNGSA-N -1 3 390.491 3.720 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000736298060 598731707 /nfs/dbraw/zinc/73/17/07/598731707.db2.gz OLBRQZFEMHCEQH-QRWLVFNGSA-N -1 3 390.491 3.720 20 0 GHADHM CC(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)(c1ccccc1)c1ccccc1 ZINC000736104868 598748512 /nfs/dbraw/zinc/74/85/12/598748512.db2.gz ISXITCIVWMZNIJ-UHFFFAOYSA-N -1 3 397.482 3.879 20 0 GHADHM CC(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)(c1ccccc1)c1ccccc1 ZINC000736104868 598748514 /nfs/dbraw/zinc/74/85/14/598748514.db2.gz ISXITCIVWMZNIJ-UHFFFAOYSA-N -1 3 397.482 3.879 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736176400 598759936 /nfs/dbraw/zinc/75/99/36/598759936.db2.gz SAMOCCFMCJLLAT-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736176400 598759938 /nfs/dbraw/zinc/75/99/38/598759938.db2.gz SAMOCCFMCJLLAT-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111365 598760334 /nfs/dbraw/zinc/76/03/34/598760334.db2.gz DGOFZVBZNOVNSR-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111365 598760336 /nfs/dbraw/zinc/76/03/36/598760336.db2.gz DGOFZVBZNOVNSR-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](c1c(F)cccc1F)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736194894 598764797 /nfs/dbraw/zinc/76/47/97/598764797.db2.gz DMLUOSAGPQUPBX-ZDUSSCGKSA-N -1 3 385.418 3.749 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737415402 598764858 /nfs/dbraw/zinc/76/48/58/598764858.db2.gz QNWYPYJZOYANPY-JXFKEZNVSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1cccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1C ZINC000737400572 598780747 /nfs/dbraw/zinc/78/07/47/598780747.db2.gz VZRJHMZUBKCION-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM CCC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccn1 ZINC000736435976 598788805 /nfs/dbraw/zinc/78/88/05/598788805.db2.gz WVQZBQUPIBGLNS-OAHLLOKOSA-N -1 3 387.900 3.743 20 0 GHADHM CCC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccn1 ZINC000736435976 598788806 /nfs/dbraw/zinc/78/88/06/598788806.db2.gz WVQZBQUPIBGLNS-OAHLLOKOSA-N -1 3 387.900 3.743 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@@H]1CCc2ccccc21 ZINC000738211299 598789595 /nfs/dbraw/zinc/78/95/95/598789595.db2.gz MQKHXCBGKXTUKJ-MRXNPFEDSA-N -1 3 388.456 3.659 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@@H]1CCc2ccccc21 ZINC000738211299 598789597 /nfs/dbraw/zinc/78/95/97/598789597.db2.gz MQKHXCBGKXTUKJ-MRXNPFEDSA-N -1 3 388.456 3.659 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3ccc(Cl)cc3-c3nnn[n-]3)C2)cc1F ZINC000737659579 598794933 /nfs/dbraw/zinc/79/49/33/598794933.db2.gz JOOAHWIPSMKBSL-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3ccc(Cl)cc3-c3nn[n-]n3)C2)cc1F ZINC000737659579 598794934 /nfs/dbraw/zinc/79/49/34/598794934.db2.gz JOOAHWIPSMKBSL-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738160725 598800598 /nfs/dbraw/zinc/80/05/98/598800598.db2.gz ACYZOIPNEWCQHF-INIZCTEOSA-N -1 3 388.353 3.653 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738160725 598800600 /nfs/dbraw/zinc/80/06/00/598800600.db2.gz ACYZOIPNEWCQHF-INIZCTEOSA-N -1 3 388.353 3.653 20 0 GHADHM Cc1sc2ncnc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c2c1C ZINC000737561717 598815219 /nfs/dbraw/zinc/81/52/19/598815219.db2.gz HOLXOPPPKOFSOF-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM Cc1sc2ncnc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c2c1C ZINC000737561717 598815221 /nfs/dbraw/zinc/81/52/21/598815221.db2.gz HOLXOPPPKOFSOF-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM CCc1noc(C)c1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736714258 598821131 /nfs/dbraw/zinc/82/11/31/598821131.db2.gz WBSGKSZPJNIBEO-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1noc(C)c1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736714258 598821132 /nfs/dbraw/zinc/82/11/32/598821132.db2.gz WBSGKSZPJNIBEO-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM COc1cc(CNc2cccc(Cl)c2-c2nnn[n-]2)ccc1OC(F)F ZINC000821716652 599299973 /nfs/dbraw/zinc/29/99/73/599299973.db2.gz DPJNWMLFNNQFII-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(CNc2cccc(Cl)c2-c2nn[n-]n2)ccc1OC(F)F ZINC000821716652 599299976 /nfs/dbraw/zinc/29/99/76/599299976.db2.gz DPJNWMLFNNQFII-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506159 599312213 /nfs/dbraw/zinc/31/22/13/599312213.db2.gz WOZWWRFELOTQKK-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506159 599312216 /nfs/dbraw/zinc/31/22/16/599312216.db2.gz WOZWWRFELOTQKK-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000736198787 599314050 /nfs/dbraw/zinc/31/40/50/599314050.db2.gz KSFISFYILUSZNO-XJKSGUPXSA-N -1 3 398.536 3.755 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000822501035 599320289 /nfs/dbraw/zinc/32/02/89/599320289.db2.gz SBJNPPCRYCQOCI-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000822501035 599320291 /nfs/dbraw/zinc/32/02/91/599320291.db2.gz SBJNPPCRYCQOCI-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc21 ZINC000736190477 599328569 /nfs/dbraw/zinc/32/85/69/599328569.db2.gz SIEXATWLDNOBPE-ZIAGYGMSSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc21 ZINC000736190477 599328572 /nfs/dbraw/zinc/32/85/72/599328572.db2.gz SIEXATWLDNOBPE-ZIAGYGMSSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@@H](SCC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191065 599328762 /nfs/dbraw/zinc/32/87/62/599328762.db2.gz VQLZQCSQXJFKPJ-AUUYWEPGSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@@H](SCC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191065 599328766 /nfs/dbraw/zinc/32/87/66/599328766.db2.gz VQLZQCSQXJFKPJ-AUUYWEPGSA-N -1 3 393.516 3.855 20 0 GHADHM Fc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCCC1 ZINC000737649251 599331289 /nfs/dbraw/zinc/33/12/89/599331289.db2.gz DYPCYRCCVPMAIN-UHFFFAOYSA-N -1 3 383.427 3.818 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000736188429 599341379 /nfs/dbraw/zinc/34/13/79/599341379.db2.gz OAEGLMNLLWKSEB-NSHDSACASA-N -1 3 399.476 3.563 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000736188429 599341381 /nfs/dbraw/zinc/34/13/81/599341381.db2.gz OAEGLMNLLWKSEB-NSHDSACASA-N -1 3 399.476 3.563 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H](Sc2ccccc2-c2nnn[n-]2)C1=O ZINC000822206099 599345432 /nfs/dbraw/zinc/34/54/32/599345432.db2.gz UPEVJWCGDWHGMK-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H](Sc2ccccc2-c2nn[n-]n2)C1=O ZINC000822206099 599345434 /nfs/dbraw/zinc/34/54/34/599345434.db2.gz UPEVJWCGDWHGMK-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2ccccc21 ZINC000820032417 599348895 /nfs/dbraw/zinc/34/88/95/599348895.db2.gz NNYNWRLHDRBBOJ-LJQANCHMSA-N -1 3 393.516 3.963 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000820032417 599348897 /nfs/dbraw/zinc/34/88/97/599348897.db2.gz NNYNWRLHDRBBOJ-LJQANCHMSA-N -1 3 393.516 3.963 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H](C)c1cccc(O)c1 ZINC000736506318 599352640 /nfs/dbraw/zinc/35/26/40/599352640.db2.gz ULCCEVPJPHNXDP-LLVKDONJSA-N -1 3 386.843 3.841 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H](C)c1cccc(O)c1 ZINC000736506318 599352642 /nfs/dbraw/zinc/35/26/42/599352642.db2.gz ULCCEVPJPHNXDP-LLVKDONJSA-N -1 3 386.843 3.841 20 0 GHADHM Cc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1C(C)C ZINC000822212049 599381908 /nfs/dbraw/zinc/38/19/08/599381908.db2.gz ZYRHARHIUPYQKP-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM Cc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1C(C)C ZINC000822212049 599381911 /nfs/dbraw/zinc/38/19/11/599381911.db2.gz ZYRHARHIUPYQKP-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cc(C)nc2ccccc12 ZINC000821699497 599382636 /nfs/dbraw/zinc/38/26/36/599382636.db2.gz SLMRURMOFAMHKM-UHFFFAOYSA-N -1 3 381.823 3.964 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cc(C)nc2ccccc12 ZINC000821699497 599382638 /nfs/dbraw/zinc/38/26/38/599382638.db2.gz SLMRURMOFAMHKM-UHFFFAOYSA-N -1 3 381.823 3.964 20 0 GHADHM CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820877018 599386876 /nfs/dbraw/zinc/38/68/76/599386876.db2.gz YEWXOIJLZDUPKT-QWHCGFSZSA-N -1 3 398.442 3.513 20 0 GHADHM CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820877018 599386879 /nfs/dbraw/zinc/38/68/79/599386879.db2.gz YEWXOIJLZDUPKT-QWHCGFSZSA-N -1 3 398.442 3.513 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(=O)NC(C)(C)C ZINC000820456314 599386979 /nfs/dbraw/zinc/38/69/79/599386979.db2.gz SGXCZOSRNLSGSB-LBPRGKRZSA-N -1 3 398.442 3.513 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(=O)NC(C)(C)C ZINC000820456314 599386980 /nfs/dbraw/zinc/38/69/80/599386980.db2.gz SGXCZOSRNLSGSB-LBPRGKRZSA-N -1 3 398.442 3.513 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000822223620 599392339 /nfs/dbraw/zinc/39/23/39/599392339.db2.gz DMLXNEYZXFOBTN-QWHCGFSZSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000822223620 599392342 /nfs/dbraw/zinc/39/23/42/599392342.db2.gz DMLXNEYZXFOBTN-QWHCGFSZSA-N -1 3 393.426 3.776 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820155739 599416701 /nfs/dbraw/zinc/41/67/01/599416701.db2.gz VYNJMHCGNHFMEM-LSDHHAIUSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820155739 599416703 /nfs/dbraw/zinc/41/67/03/599416703.db2.gz VYNJMHCGNHFMEM-LSDHHAIUSA-N -1 3 394.479 3.775 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000736137387 599418442 /nfs/dbraw/zinc/41/84/42/599418442.db2.gz KCBLQFHNBQAPHA-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000736137387 599418445 /nfs/dbraw/zinc/41/84/45/599418445.db2.gz KCBLQFHNBQAPHA-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357315 599424065 /nfs/dbraw/zinc/42/40/65/599424065.db2.gz GAANRUSQZCHFAI-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357315 599424067 /nfs/dbraw/zinc/42/40/67/599424067.db2.gz GAANRUSQZCHFAI-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@@H](NC(=O)NCc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820367406 599425507 /nfs/dbraw/zinc/42/55/07/599425507.db2.gz RSQNDHFVVIBHGF-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM C[C@@H](NC(=O)NCc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820367406 599425510 /nfs/dbraw/zinc/42/55/10/599425510.db2.gz RSQNDHFVVIBHGF-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM CC(C)C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820055899 599459581 /nfs/dbraw/zinc/45/95/81/599459581.db2.gz LKJDQWHDHHVAQT-GOSISDBHSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820055899 599459582 /nfs/dbraw/zinc/45/95/82/599459582.db2.gz LKJDQWHDHHVAQT-GOSISDBHSA-N -1 3 382.443 3.592 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC2(C1)CCCCCC2 ZINC000823234356 599459674 /nfs/dbraw/zinc/45/96/74/599459674.db2.gz LYHKCUCFWQACIV-UHFFFAOYSA-N -1 3 386.475 3.652 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC2(C1)CCCCCC2 ZINC000823234356 599459675 /nfs/dbraw/zinc/45/96/75/599459675.db2.gz LYHKCUCFWQACIV-UHFFFAOYSA-N -1 3 386.475 3.652 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737441458 599468559 /nfs/dbraw/zinc/46/85/59/599468559.db2.gz GDOZLRKYHKKLCY-SFHVURJKSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737441458 599468560 /nfs/dbraw/zinc/46/85/60/599468560.db2.gz GDOZLRKYHKKLCY-SFHVURJKSA-N -1 3 389.484 3.950 20 0 GHADHM CCOc1cc(CN(C)c2ccc(F)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821395275 599471928 /nfs/dbraw/zinc/47/19/28/599471928.db2.gz VJIZHSUDMGITQN-UHFFFAOYSA-N -1 3 393.369 3.642 20 0 GHADHM CCOc1cc(CN(C)c2ccc(F)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821395275 599471929 /nfs/dbraw/zinc/47/19/29/599471929.db2.gz VJIZHSUDMGITQN-UHFFFAOYSA-N -1 3 393.369 3.642 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820339593 599475954 /nfs/dbraw/zinc/47/59/54/599475954.db2.gz DMKUIMOAQGIHNV-STQMWFEESA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820339593 599475955 /nfs/dbraw/zinc/47/59/55/599475955.db2.gz DMKUIMOAQGIHNV-STQMWFEESA-N -1 3 384.871 3.984 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821220925 599479834 /nfs/dbraw/zinc/47/98/34/599479834.db2.gz GFDXVXUUOSTHOF-ZDUSSCGKSA-N -1 3 384.871 3.813 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821220925 599479837 /nfs/dbraw/zinc/47/98/37/599479837.db2.gz GFDXVXUUOSTHOF-ZDUSSCGKSA-N -1 3 384.871 3.813 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340981 599482323 /nfs/dbraw/zinc/48/23/23/599482323.db2.gz OGOLQPXAXDTCPV-GUXCAODWSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340981 599482326 /nfs/dbraw/zinc/48/23/26/599482326.db2.gz OGOLQPXAXDTCPV-GUXCAODWSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110643 599492447 /nfs/dbraw/zinc/49/24/47/599492447.db2.gz IUHGDQQTUPQMNR-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110643 599492448 /nfs/dbraw/zinc/49/24/48/599492448.db2.gz IUHGDQQTUPQMNR-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000737061829 599502104 /nfs/dbraw/zinc/50/21/04/599502104.db2.gz DTVDIYQDJZEXKN-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000737061829 599502105 /nfs/dbraw/zinc/50/21/05/599502105.db2.gz DTVDIYQDJZEXKN-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820233545 607381671 /nfs/dbraw/zinc/38/16/71/607381671.db2.gz KXZGGDPECUFZME-QFYYESIMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820385089 599507030 /nfs/dbraw/zinc/50/70/30/599507030.db2.gz OZOOHCPXFILIDE-SECBINFHSA-N -1 3 384.802 3.632 20 0 GHADHM C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820385089 599507033 /nfs/dbraw/zinc/50/70/33/599507033.db2.gz OZOOHCPXFILIDE-SECBINFHSA-N -1 3 384.802 3.632 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389899 599525851 /nfs/dbraw/zinc/52/58/51/599525851.db2.gz BEQIMWLAQXEKOL-LBPRGKRZSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389899 599525854 /nfs/dbraw/zinc/52/58/54/599525854.db2.gz BEQIMWLAQXEKOL-LBPRGKRZSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820236222 607382688 /nfs/dbraw/zinc/38/26/88/607382688.db2.gz ZRQNOXHXIQJPBE-QLJPJBMISA-N -1 3 395.360 3.949 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820236222 607382690 /nfs/dbraw/zinc/38/26/90/607382690.db2.gz ZRQNOXHXIQJPBE-QLJPJBMISA-N -1 3 395.360 3.949 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000822213768 599535246 /nfs/dbraw/zinc/53/52/46/599535246.db2.gz ACHDHVSNRTVBOP-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000822213768 599535249 /nfs/dbraw/zinc/53/52/49/599535249.db2.gz ACHDHVSNRTVBOP-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737335715 599537472 /nfs/dbraw/zinc/53/74/72/599537472.db2.gz VKZRWOCORGSDPW-VIFPVBQESA-N -1 3 392.941 3.808 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737335715 599537475 /nfs/dbraw/zinc/53/74/75/599537475.db2.gz VKZRWOCORGSDPW-VIFPVBQESA-N -1 3 392.941 3.808 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccsc1 ZINC000735570611 599539200 /nfs/dbraw/zinc/53/92/00/599539200.db2.gz OJZCLWILWCGYSQ-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccsc1 ZINC000735570611 599539202 /nfs/dbraw/zinc/53/92/02/599539202.db2.gz OJZCLWILWCGYSQ-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822418622 599540491 /nfs/dbraw/zinc/54/04/91/599540491.db2.gz AJHMIASRAUFSFZ-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822418622 599540493 /nfs/dbraw/zinc/54/04/93/599540493.db2.gz AJHMIASRAUFSFZ-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820391795 599544108 /nfs/dbraw/zinc/54/41/08/599544108.db2.gz RCPMMYBMTABBBG-CYBMUJFWSA-N -1 3 384.443 3.783 20 0 GHADHM C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820391795 599544110 /nfs/dbraw/zinc/54/41/10/599544110.db2.gz RCPMMYBMTABBBG-CYBMUJFWSA-N -1 3 384.443 3.783 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000737328880 599560594 /nfs/dbraw/zinc/56/05/94/599560594.db2.gz IIRAVUUUNGGQPU-IYPOZPNPSA-N -1 3 377.448 3.925 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000737328880 599560596 /nfs/dbraw/zinc/56/05/96/599560596.db2.gz IIRAVUUUNGGQPU-IYPOZPNPSA-N -1 3 377.448 3.925 20 0 GHADHM O=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738087555 599563754 /nfs/dbraw/zinc/56/37/54/599563754.db2.gz IZJOELMQSMCLAC-UHFFFAOYSA-N -1 3 384.443 3.583 20 0 GHADHM O=C(NCCc1ccsc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738087340 599565782 /nfs/dbraw/zinc/56/57/82/599565782.db2.gz FCZUCBKQGBFZJU-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736267952 599567093 /nfs/dbraw/zinc/56/70/93/599567093.db2.gz VFORQNSGLKWNGF-HNNXBMFYSA-N -1 3 376.464 3.873 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736055251 599606902 /nfs/dbraw/zinc/60/69/02/599606902.db2.gz DRNXIWZBMIAINI-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736055251 599606904 /nfs/dbraw/zinc/60/69/04/599606904.db2.gz DRNXIWZBMIAINI-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546878 599618326 /nfs/dbraw/zinc/61/83/26/599618326.db2.gz IFXNUZNIMQJWKR-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546878 599618329 /nfs/dbraw/zinc/61/83/29/599618329.db2.gz IFXNUZNIMQJWKR-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822232788 599628910 /nfs/dbraw/zinc/62/89/10/599628910.db2.gz AZKWLHCPJCIOQS-NVXWUHKLSA-N -1 3 397.504 3.960 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822232788 599628911 /nfs/dbraw/zinc/62/89/11/599628911.db2.gz AZKWLHCPJCIOQS-NVXWUHKLSA-N -1 3 397.504 3.960 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000819965383 599629267 /nfs/dbraw/zinc/62/92/67/599629267.db2.gz DTGRRSFCXJGUIU-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000819965383 599629268 /nfs/dbraw/zinc/62/92/68/599629268.db2.gz DTGRRSFCXJGUIU-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(c2ccccc2F)CC1 ZINC000823303503 599633484 /nfs/dbraw/zinc/63/34/84/599633484.db2.gz KSZZPKUACORBDF-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(c2ccccc2F)CC1 ZINC000823303503 599633485 /nfs/dbraw/zinc/63/34/85/599633485.db2.gz KSZZPKUACORBDF-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821383712 599646638 /nfs/dbraw/zinc/64/66/38/599646638.db2.gz HZCWKGZXUMVXAD-INIZCTEOSA-N -1 3 381.480 3.901 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821383712 599646639 /nfs/dbraw/zinc/64/66/39/599646639.db2.gz HZCWKGZXUMVXAD-INIZCTEOSA-N -1 3 381.480 3.901 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820966442 599655896 /nfs/dbraw/zinc/65/58/96/599655896.db2.gz FPNYJGDDHVNXLA-BEFAXECRSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967754 599655951 /nfs/dbraw/zinc/65/59/51/599655951.db2.gz UZCCJUNEWBYORK-LIRRHRJNSA-N -1 3 376.464 3.871 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821016464 599661538 /nfs/dbraw/zinc/66/15/38/599661538.db2.gz WXQSGFXXYSEWKM-HOCLYGCPSA-N -1 3 399.495 3.734 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821016464 599661539 /nfs/dbraw/zinc/66/15/39/599661539.db2.gz WXQSGFXXYSEWKM-HOCLYGCPSA-N -1 3 399.495 3.734 20 0 GHADHM O=C(OCc1cccc2c[nH]nc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823429779 599684962 /nfs/dbraw/zinc/68/49/62/599684962.db2.gz BKSMFCXZJWHKQD-UHFFFAOYSA-N -1 3 396.410 3.767 20 0 GHADHM O=C(OCc1cccc2c[nH]nc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823429779 599684963 /nfs/dbraw/zinc/68/49/63/599684963.db2.gz BKSMFCXZJWHKQD-UHFFFAOYSA-N -1 3 396.410 3.767 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(-n2cccn2)c1 ZINC000820452085 599687318 /nfs/dbraw/zinc/68/73/18/599687318.db2.gz ZKRLQKPFJUTJFW-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(-n2cccn2)c1 ZINC000820452085 599687319 /nfs/dbraw/zinc/68/73/19/599687319.db2.gz ZKRLQKPFJUTJFW-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000153050672 599693908 /nfs/dbraw/zinc/69/39/08/599693908.db2.gz SWJTZUBILDPAOK-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000153050672 599693909 /nfs/dbraw/zinc/69/39/09/599693909.db2.gz SWJTZUBILDPAOK-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821049290 599697768 /nfs/dbraw/zinc/69/77/68/599697768.db2.gz KFMRIJACQAYWEH-INIZCTEOSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821049290 599697769 /nfs/dbraw/zinc/69/77/69/599697769.db2.gz KFMRIJACQAYWEH-INIZCTEOSA-N -1 3 395.463 3.929 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccnc1 ZINC000819867594 599700303 /nfs/dbraw/zinc/70/03/03/599700303.db2.gz ULWNYYNWAVBHGP-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccnc1 ZINC000819867594 599700304 /nfs/dbraw/zinc/70/03/04/599700304.db2.gz ULWNYYNWAVBHGP-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])c1cccc(OC)c1 ZINC000737086441 599706300 /nfs/dbraw/zinc/70/63/00/599706300.db2.gz XZIFENHZMMTHTR-IBGZPJMESA-N -1 3 385.464 3.598 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559342 599713446 /nfs/dbraw/zinc/71/34/46/599713446.db2.gz BRFYLDYSOXYOSL-BNOWGMLFSA-N -1 3 399.472 3.875 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559342 599713449 /nfs/dbraw/zinc/71/34/49/599713449.db2.gz BRFYLDYSOXYOSL-BNOWGMLFSA-N -1 3 399.472 3.875 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1NC(=O)OC(C)(C)C ZINC000822175827 607392605 /nfs/dbraw/zinc/39/26/05/607392605.db2.gz ARKAMCWIWGQZHN-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1NC(=O)OC(C)(C)C ZINC000822175827 607392606 /nfs/dbraw/zinc/39/26/06/607392606.db2.gz ARKAMCWIWGQZHN-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM CN(C)C(=O)c1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000737355698 599770799 /nfs/dbraw/zinc/77/07/99/599770799.db2.gz CXAJEDQPEAFITL-KRWDZBQOSA-N -1 3 395.286 3.953 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cn1 ZINC000820187528 607393490 /nfs/dbraw/zinc/39/34/90/607393490.db2.gz FOIWXZXPNNESEO-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)cn1 ZINC000820187528 607393492 /nfs/dbraw/zinc/39/34/92/607393492.db2.gz FOIWXZXPNNESEO-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2sccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000820174592 607399172 /nfs/dbraw/zinc/39/91/72/607399172.db2.gz SPSMQDFCWAXFIJ-UHFFFAOYSA-N -1 3 395.391 3.569 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2sccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000820174592 607399173 /nfs/dbraw/zinc/39/91/73/607399173.db2.gz SPSMQDFCWAXFIJ-UHFFFAOYSA-N -1 3 395.391 3.569 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCc3ccccn3)cc2)C(=O)[O-])cc1 ZINC000737967772 599858501 /nfs/dbraw/zinc/85/85/01/599858501.db2.gz CVBIEQLTJGCBEC-NRFANRHFSA-N -1 3 378.428 3.585 20 0 GHADHM Cc1cc(CN[C@@H]2CCCc3c2cnn3C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000738390446 599860326 /nfs/dbraw/zinc/86/03/26/599860326.db2.gz ZTCPXKUEGGPFDR-GOSISDBHSA-N -1 3 385.508 3.886 20 0 GHADHM CC[C@@](NCc1cccc(C(=O)N2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000736920197 600129321 /nfs/dbraw/zinc/12/93/21/600129321.db2.gz JSVPBCSPSXWDFA-QHCPKHFHSA-N -1 3 380.488 3.792 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737369833 600280806 /nfs/dbraw/zinc/28/08/06/600280806.db2.gz KTALACYXYIFHJL-UHFFFAOYSA-N -1 3 375.856 3.634 20 0 GHADHM CN(Cc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000737480901 600344236 /nfs/dbraw/zinc/34/42/36/600344236.db2.gz CBPWLJMXXXDJFD-UHFFFAOYSA-N -1 3 388.512 3.526 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000738562277 600350878 /nfs/dbraw/zinc/35/08/78/600350878.db2.gz UFHKLHKUBQTGLO-HXUWFJFHSA-N -1 3 396.491 3.721 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457200 607439657 /nfs/dbraw/zinc/43/96/57/607439657.db2.gz HDDZATPWCSCJIJ-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457200 607439658 /nfs/dbraw/zinc/43/96/58/607439658.db2.gz HDDZATPWCSCJIJ-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000738476699 600388340 /nfs/dbraw/zinc/38/83/40/600388340.db2.gz YRLVTPLCOZHHBC-UHFFFAOYSA-N -1 3 382.416 3.519 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826305300 607440645 /nfs/dbraw/zinc/44/06/45/607440645.db2.gz RCWMLCJSGHUQGK-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826305300 607440646 /nfs/dbraw/zinc/44/06/46/607440646.db2.gz RCWMLCJSGHUQGK-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM O=C([O-])CN(CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000739794141 600401036 /nfs/dbraw/zinc/40/10/36/600401036.db2.gz UOVGPPXWTAUPEA-DEOSSOPVSA-N -1 3 386.300 3.688 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c(F)c1 ZINC000739406920 600404075 /nfs/dbraw/zinc/40/40/75/600404075.db2.gz KSGLXBMVFIIFJJ-QGZVFWFLSA-N -1 3 385.439 3.700 20 0 GHADHM Cc1oc(CN(C)CCC(=O)Nc2ccccc2Br)cc1C(=O)[O-] ZINC000738967504 600429547 /nfs/dbraw/zinc/42/95/47/600429547.db2.gz VXRODVOQGXRKMZ-UHFFFAOYSA-N -1 3 395.253 3.509 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCSc2ccc(Cl)cc21 ZINC000826244986 607443843 /nfs/dbraw/zinc/44/38/43/607443843.db2.gz KAHDPBQPAUYAQE-UHFFFAOYSA-N -1 3 385.880 3.971 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCSc2ccc(Cl)cc21 ZINC000826244986 607443845 /nfs/dbraw/zinc/44/38/45/607443845.db2.gz KAHDPBQPAUYAQE-UHFFFAOYSA-N -1 3 385.880 3.971 20 0 GHADHM O=C([O-])Nc1ccc(CCN[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000740021188 600453632 /nfs/dbraw/zinc/45/36/32/600453632.db2.gz XPFVCIQBLBWLFU-FQEVSTJZSA-N -1 3 381.476 3.662 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1Cl ZINC000739402458 600509003 /nfs/dbraw/zinc/50/90/03/600509003.db2.gz BTQGBDFEIBNPQU-UHFFFAOYSA-N -1 3 397.928 3.521 20 0 GHADHM CC(C)(CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824152562 607453103 /nfs/dbraw/zinc/45/31/03/607453103.db2.gz HQYRRWNMSWHOOW-UHFFFAOYSA-N -1 3 390.491 3.523 20 0 GHADHM CC(C)(CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824152562 607453105 /nfs/dbraw/zinc/45/31/05/607453105.db2.gz HQYRRWNMSWHOOW-UHFFFAOYSA-N -1 3 390.491 3.523 20 0 GHADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736809219 600715487 /nfs/dbraw/zinc/71/54/87/600715487.db2.gz QGJUUTSPIYHQQB-DAXOMENPSA-N -1 3 382.888 3.701 20 0 GHADHM O=C([O-])[C@@H](N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1F ZINC000833166267 600747369 /nfs/dbraw/zinc/74/73/69/600747369.db2.gz FGAQPQOGSLORIU-GUYCJALGSA-N -1 3 393.256 3.582 20 0 GHADHM O=C([O-])[C@@H](N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1F ZINC000833168146 600749700 /nfs/dbraw/zinc/74/97/00/600749700.db2.gz UXBKACSTKOVKNX-SJCJKPOMSA-N -1 3 393.256 3.582 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824745366 607469434 /nfs/dbraw/zinc/46/94/34/607469434.db2.gz RERMWQUXIUJPIC-ZETCQYMHSA-N -1 3 384.248 3.641 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824745366 607469436 /nfs/dbraw/zinc/46/94/36/607469436.db2.gz RERMWQUXIUJPIC-ZETCQYMHSA-N -1 3 384.248 3.641 20 0 GHADHM O=C([O-])[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000740288514 600804613 /nfs/dbraw/zinc/80/46/13/600804613.db2.gz BKIREYVILLEZNK-LJQANCHMSA-N -1 3 387.863 3.921 20 0 GHADHM Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000832946204 601144342 /nfs/dbraw/zinc/14/43/42/601144342.db2.gz RHXOHQWBGLQUML-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820292729 607497608 /nfs/dbraw/zinc/49/76/08/607497608.db2.gz FWLBPVRPYIBZIR-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820292729 607497610 /nfs/dbraw/zinc/49/76/10/607497610.db2.gz FWLBPVRPYIBZIR-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM O=C([O-])c1nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c2ccccc21 ZINC000833346043 601397516 /nfs/dbraw/zinc/39/75/16/601397516.db2.gz CZBNZGDKVLCSFW-AWEZNQCLSA-N -1 3 376.416 3.713 20 0 GHADHM COc1cc(NC2CCN(Cc3ccsc3C(=O)[O-])CC2)cc(OC)c1 ZINC000832026500 601491425 /nfs/dbraw/zinc/49/14/25/601491425.db2.gz LMDWWMNMZQGLLG-UHFFFAOYSA-N -1 3 376.478 3.540 20 0 GHADHM CCCN(Cc1noc(C2CCCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825322370 607516706 /nfs/dbraw/zinc/51/67/06/607516706.db2.gz BKCWFGZWBCPSHU-UHFFFAOYSA-N -1 3 381.484 3.710 20 0 GHADHM CCCN(Cc1noc(C2CCCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825322370 607516708 /nfs/dbraw/zinc/51/67/08/607516708.db2.gz BKCWFGZWBCPSHU-UHFFFAOYSA-N -1 3 381.484 3.710 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)cc1 ZINC000832945253 601626939 /nfs/dbraw/zinc/62/69/39/601626939.db2.gz QCUBGZJZPFJZDH-KRWDZBQOSA-N -1 3 399.466 3.866 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000826054503 601654653 /nfs/dbraw/zinc/65/46/53/601654653.db2.gz NMSZAFYSHCDKOB-HTAPYJJXSA-N -1 3 395.503 3.667 20 0 GHADHM O=C([O-])CCC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000659396632 601827342 /nfs/dbraw/zinc/82/73/42/601827342.db2.gz BKWRAYNLLYRYJW-HXUWFJFHSA-N -1 3 387.524 3.500 20 0 GHADHM Cc1c(F)cccc1NC(=O)CCN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832854943 601901953 /nfs/dbraw/zinc/90/19/53/601901953.db2.gz YLHDNFNLBMCJJP-SFHVURJKSA-N -1 3 398.356 3.638 20 0 GHADHM O=C([O-])[C@@H](NCc1ccccc1Cn1cncn1)c1cc(Cl)cc(Cl)c1 ZINC000833169400 601973716 /nfs/dbraw/zinc/97/37/16/601973716.db2.gz HZGZZXWJIDEAFO-KRWDZBQOSA-N -1 3 391.258 3.549 20 0 GHADHM COc1ccc(COc2ccc(C3SCCS3)cc2)cc1-c1nnn[n-]1 ZINC000826207353 607540567 /nfs/dbraw/zinc/54/05/67/607540567.db2.gz LBXTWXIAGULZSD-UHFFFAOYSA-N -1 3 386.502 3.933 20 0 GHADHM COc1ccc(COc2ccc(C3SCCS3)cc2)cc1-c1nn[n-]n1 ZINC000826207353 607540568 /nfs/dbraw/zinc/54/05/68/607540568.db2.gz LBXTWXIAGULZSD-UHFFFAOYSA-N -1 3 386.502 3.933 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177149 602043320 /nfs/dbraw/zinc/04/33/20/602043320.db2.gz OHOSBTMMACLHEF-UZLBHIALSA-N -1 3 395.503 3.833 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000832050345 602165584 /nfs/dbraw/zinc/16/55/84/602165584.db2.gz PJORCEWACSGDQP-APPDUMDISA-N -1 3 381.375 3.782 20 0 GHADHM CN(CC1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1)C(=O)[O-] ZINC000739667008 602385874 /nfs/dbraw/zinc/38/58/74/602385874.db2.gz WYNKMCKPEICXEK-UHFFFAOYSA-N -1 3 384.505 3.885 20 0 GHADHM CC(C)Oc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824329766 607647251 /nfs/dbraw/zinc/64/72/51/607647251.db2.gz VEPXRKAFWTZQIZ-UHFFFAOYSA-N -1 3 394.504 3.630 20 0 GHADHM CC(C)Oc1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824329766 607647252 /nfs/dbraw/zinc/64/72/52/607647252.db2.gz VEPXRKAFWTZQIZ-UHFFFAOYSA-N -1 3 394.504 3.630 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000826244064 607663110 /nfs/dbraw/zinc/66/31/10/607663110.db2.gz FZNIQUYYLYVFAE-UGSOOPFHSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000826244064 607663112 /nfs/dbraw/zinc/66/31/12/607663112.db2.gz FZNIQUYYLYVFAE-UGSOOPFHSA-N -1 3 377.448 3.696 20 0 GHADHM O=C([O-])N1[C@@H]2CC[C@H]1CN(CCC(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000831432350 603973015 /nfs/dbraw/zinc/97/30/15/603973015.db2.gz JNYXWYYCUPWUTR-NEPJUHHUSA-N -1 3 386.279 3.539 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000826243812 607666384 /nfs/dbraw/zinc/66/63/84/607666384.db2.gz WKBNHJHPNIWDMI-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000826243812 607666385 /nfs/dbraw/zinc/66/63/85/607666385.db2.gz WKBNHJHPNIWDMI-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n2)s1 ZINC000826273825 607687373 /nfs/dbraw/zinc/68/73/73/607687373.db2.gz WFBVUOAHCVOUQO-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)s1 ZINC000826273825 607687376 /nfs/dbraw/zinc/68/73/76/607687376.db2.gz WFBVUOAHCVOUQO-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM FC(F)Oc1c(Br)cccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826369594 607684609 /nfs/dbraw/zinc/68/46/09/607684609.db2.gz JLUURMYBDOESIN-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM C[C@@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828462770 604422342 /nfs/dbraw/zinc/42/23/42/604422342.db2.gz MKCJLNYRTGXVAH-YGRLFVJLSA-N -1 3 381.295 3.725 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC[C@@H]1c1ccccc1 ZINC000825202398 607697748 /nfs/dbraw/zinc/69/77/48/607697748.db2.gz KBPJRHXIUYFVEG-UZLBHIALSA-N -1 3 375.476 3.831 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC[C@@H]1c1ccccc1 ZINC000825202398 607697749 /nfs/dbraw/zinc/69/77/49/607697749.db2.gz KBPJRHXIUYFVEG-UZLBHIALSA-N -1 3 375.476 3.831 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc3ccccc3nc1N1CCCCC1)CC2 ZINC000833771977 604651206 /nfs/dbraw/zinc/65/12/06/604651206.db2.gz WMKXUKTZXVUZAF-LJQANCHMSA-N -1 3 379.504 3.912 20 0 GHADHM COc1cc(N[C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)cc(OC)c1 ZINC000832027275 604801707 /nfs/dbraw/zinc/80/17/07/604801707.db2.gz XPMYIGPOCABEOE-AWEZNQCLSA-N -1 3 376.478 3.540 20 0 GHADHM CC(=O)N1CCCCC[C@H]1C1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000833394395 605041706 /nfs/dbraw/zinc/04/17/06/605041706.db2.gz XDGZMXHXRFDFNC-YJBOKZPZSA-N -1 3 376.497 3.850 20 0 GHADHM CC(C)Sc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737644673 605122930 /nfs/dbraw/zinc/12/29/30/605122930.db2.gz WOSNISKSBJXIHX-GJZGRUSLSA-N -1 3 378.538 3.549 20 0 GHADHM Cc1nc(C)n(C[C@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)n1 ZINC000833755501 605128803 /nfs/dbraw/zinc/12/88/03/605128803.db2.gz PGLRFMATWPQADB-GUYCJALGSA-N -1 3 397.306 3.740 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)OCc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000833498328 605305065 /nfs/dbraw/zinc/30/50/65/605305065.db2.gz FTUCZMKJUALFDI-UHFFFAOYSA-N -1 3 397.475 3.664 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)ccc1NC(=O)[O-] ZINC000829918809 605441228 /nfs/dbraw/zinc/44/12/28/605441228.db2.gz CNFFCYSHLTWAGD-UHFFFAOYSA-N -1 3 381.476 3.822 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916769 605474514 /nfs/dbraw/zinc/47/45/14/605474514.db2.gz RHLLMOXYZSOXAZ-UHFFFAOYSA-N -1 3 378.860 3.744 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1)C(=O)[O-] ZINC000833538526 605491506 /nfs/dbraw/zinc/49/15/06/605491506.db2.gz DFRCSBKAPXPOOQ-ZDUSSCGKSA-N -1 3 397.397 3.591 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826226447 607762196 /nfs/dbraw/zinc/76/21/96/607762196.db2.gz ZNJGOYAXELVGHJ-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826226447 607762197 /nfs/dbraw/zinc/76/21/97/607762197.db2.gz ZNJGOYAXELVGHJ-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)ccc1OCC(F)(F)F ZINC000833862062 605598599 /nfs/dbraw/zinc/59/85/99/605598599.db2.gz QUYJBARBVHJZEV-OCCSQVGLSA-N -1 3 390.402 3.504 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824928523 607769237 /nfs/dbraw/zinc/76/92/37/607769237.db2.gz ULFDPSUTLDAZCN-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824928523 607769238 /nfs/dbraw/zinc/76/92/38/607769238.db2.gz ULFDPSUTLDAZCN-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000824019611 607770190 /nfs/dbraw/zinc/77/01/90/607770190.db2.gz IKQPRHQYOGCFCJ-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000824019611 607770191 /nfs/dbraw/zinc/77/01/91/607770191.db2.gz IKQPRHQYOGCFCJ-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826289417 607770455 /nfs/dbraw/zinc/77/04/55/607770455.db2.gz ZBAMIXKIUVJDRN-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826289417 607770456 /nfs/dbraw/zinc/77/04/56/607770456.db2.gz ZBAMIXKIUVJDRN-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000819857571 606102583 /nfs/dbraw/zinc/10/25/83/606102583.db2.gz SLSXNBGXKTXTGN-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000819857571 606102586 /nfs/dbraw/zinc/10/25/86/606102586.db2.gz SLSXNBGXKTXTGN-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820825886 606104326 /nfs/dbraw/zinc/10/43/26/606104326.db2.gz GPXVZKFDQOLMTO-HNNXBMFYSA-N -1 3 377.448 3.519 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820825886 606104327 /nfs/dbraw/zinc/10/43/27/606104327.db2.gz GPXVZKFDQOLMTO-HNNXBMFYSA-N -1 3 377.448 3.519 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820717739 606109996 /nfs/dbraw/zinc/10/99/96/606109996.db2.gz VOOYJJZLHCHQED-CBOOEUKESA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820717739 606109997 /nfs/dbraw/zinc/10/99/97/606109997.db2.gz VOOYJJZLHCHQED-CBOOEUKESA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(Cl)s1 ZINC000819877032 606121711 /nfs/dbraw/zinc/12/17/11/606121711.db2.gz NLJIRZZTPRRZOE-SSDOTTSWSA-N -1 3 379.898 3.874 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(Cl)s1 ZINC000819877032 606121712 /nfs/dbraw/zinc/12/17/12/606121712.db2.gz NLJIRZZTPRRZOE-SSDOTTSWSA-N -1 3 379.898 3.874 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nnn[n-]1 ZINC000822791944 606164737 /nfs/dbraw/zinc/16/47/37/606164737.db2.gz ODAHNCMKCZWXCH-HNNXBMFYSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nn[n-]n1 ZINC000822791944 606164739 /nfs/dbraw/zinc/16/47/39/606164739.db2.gz ODAHNCMKCZWXCH-HNNXBMFYSA-N -1 3 393.344 3.603 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccccc2Cn2cccn2)c(-c2nnn[n-]2)c1 ZINC000822728712 606174938 /nfs/dbraw/zinc/17/49/38/606174938.db2.gz KIDXQAFEYVTOAT-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccccc2Cn2cccn2)c(-c2nn[n-]n2)c1 ZINC000822728712 606174939 /nfs/dbraw/zinc/17/49/39/606174939.db2.gz KIDXQAFEYVTOAT-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000821119017 606192452 /nfs/dbraw/zinc/19/24/52/606192452.db2.gz TUIYDWMTPXYBQH-OLZOCXBDSA-N -1 3 398.417 3.709 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000822361477 606195475 /nfs/dbraw/zinc/19/54/75/606195475.db2.gz CBVDBCIRNGQETK-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822361477 606195477 /nfs/dbraw/zinc/19/54/77/606195477.db2.gz CBVDBCIRNGQETK-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820726870 606196755 /nfs/dbraw/zinc/19/67/55/606196755.db2.gz CLFOEIQJSVKTIP-GTNSWQLSSA-N -1 3 382.468 3.616 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820726870 606196756 /nfs/dbraw/zinc/19/67/56/606196756.db2.gz CLFOEIQJSVKTIP-GTNSWQLSSA-N -1 3 382.468 3.616 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCSC3(CCCCC3)C2)n1 ZINC000822723310 606200997 /nfs/dbraw/zinc/20/09/97/606200997.db2.gz DCEPMLPZYJKKPW-UHFFFAOYSA-N -1 3 384.431 3.537 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCSC3(CCCCC3)C2)n1 ZINC000822723310 606200998 /nfs/dbraw/zinc/20/09/98/606200998.db2.gz DCEPMLPZYJKKPW-UHFFFAOYSA-N -1 3 384.431 3.537 20 0 GHADHM CC(C)c1sc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)nc1-c1ccccc1 ZINC000820211767 606227206 /nfs/dbraw/zinc/22/72/06/606227206.db2.gz XBVIHFBHRDRMAN-UHFFFAOYSA-N -1 3 393.476 3.704 20 0 GHADHM CC(C)c1sc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)nc1-c1ccccc1 ZINC000820211767 606227208 /nfs/dbraw/zinc/22/72/08/606227208.db2.gz XBVIHFBHRDRMAN-UHFFFAOYSA-N -1 3 393.476 3.704 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C2SCCS2)cc1 ZINC000823345780 606263599 /nfs/dbraw/zinc/26/35/99/606263599.db2.gz FFUIOIBQNYXCPC-UHFFFAOYSA-N -1 3 387.465 3.737 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C2SCCS2)cc1 ZINC000823345780 606263600 /nfs/dbraw/zinc/26/36/00/606263600.db2.gz FFUIOIBQNYXCPC-UHFFFAOYSA-N -1 3 387.465 3.737 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823344055 606270993 /nfs/dbraw/zinc/27/09/93/606270993.db2.gz PAZHCCWYBFKURQ-UHFFFAOYSA-N -1 3 392.369 3.823 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823344055 606270995 /nfs/dbraw/zinc/27/09/95/606270995.db2.gz PAZHCCWYBFKURQ-UHFFFAOYSA-N -1 3 392.369 3.823 20 0 GHADHM CC1(C)CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000820601028 606295008 /nfs/dbraw/zinc/29/50/08/606295008.db2.gz AFSFLKPGNMNYJX-UHFFFAOYSA-N -1 3 394.504 3.578 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819898383 606326738 /nfs/dbraw/zinc/32/67/38/606326738.db2.gz FPPJVXGWUROUCS-UHFFFAOYSA-N -1 3 395.488 3.826 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819898383 606326739 /nfs/dbraw/zinc/32/67/39/606326739.db2.gz FPPJVXGWUROUCS-UHFFFAOYSA-N -1 3 395.488 3.826 20 0 GHADHM CC(C)CC(=O)Nc1ccc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820051112 606327005 /nfs/dbraw/zinc/32/70/05/606327005.db2.gz LIQZKCLGFVVUDF-UHFFFAOYSA-N -1 3 395.488 3.826 20 0 GHADHM CC(C)CC(=O)Nc1ccc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820051112 606327007 /nfs/dbraw/zinc/32/70/07/606327007.db2.gz LIQZKCLGFVVUDF-UHFFFAOYSA-N -1 3 395.488 3.826 20 0 GHADHM Fc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1OC1CCC1 ZINC000822753237 606328678 /nfs/dbraw/zinc/32/86/78/606328678.db2.gz JZXQTQGUVOMMBD-UHFFFAOYSA-N -1 3 384.440 3.746 20 0 GHADHM Fc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1OC1CCC1 ZINC000822753237 606328680 /nfs/dbraw/zinc/32/86/80/606328680.db2.gz JZXQTQGUVOMMBD-UHFFFAOYSA-N -1 3 384.440 3.746 20 0 GHADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154583 606335655 /nfs/dbraw/zinc/33/56/55/606335655.db2.gz PMVWZDVOPQVLCH-SECBINFHSA-N -1 3 393.344 3.646 20 0 GHADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154583 606335658 /nfs/dbraw/zinc/33/56/58/606335658.db2.gz PMVWZDVOPQVLCH-SECBINFHSA-N -1 3 393.344 3.646 20 0 GHADHM C[C@H](OC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513005 606346433 /nfs/dbraw/zinc/34/64/33/606346433.db2.gz RZGUKMHZASRKOH-VIFPVBQESA-N -1 3 384.346 3.599 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822458579 606355227 /nfs/dbraw/zinc/35/52/27/606355227.db2.gz DSDNLNDLNHDJHX-GFCCVEGCSA-N -1 3 377.379 3.780 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822458579 606355229 /nfs/dbraw/zinc/35/52/29/606355229.db2.gz DSDNLNDLNHDJHX-GFCCVEGCSA-N -1 3 377.379 3.780 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c12 ZINC000822530669 606357281 /nfs/dbraw/zinc/35/72/81/606357281.db2.gz LORJUTTWJNRCQT-LLVKDONJSA-N -1 3 390.403 3.507 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c12 ZINC000822530669 606357282 /nfs/dbraw/zinc/35/72/82/606357282.db2.gz LORJUTTWJNRCQT-LLVKDONJSA-N -1 3 390.403 3.507 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c(F)cc1F ZINC000822184632 606372370 /nfs/dbraw/zinc/37/23/70/606372370.db2.gz YHOHJSMPGMRPTB-QMMMGPOBSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c(F)cc1F ZINC000822184632 606372372 /nfs/dbraw/zinc/37/23/72/606372372.db2.gz YHOHJSMPGMRPTB-QMMMGPOBSA-N -1 3 389.431 3.892 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821477103 606393215 /nfs/dbraw/zinc/39/32/15/606393215.db2.gz YNIXCNYASHBEKT-AWEZNQCLSA-N -1 3 378.480 3.725 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821477103 606393217 /nfs/dbraw/zinc/39/32/17/606393217.db2.gz YNIXCNYASHBEKT-AWEZNQCLSA-N -1 3 378.480 3.725 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1CC(F)(F)F ZINC000822184407 606398482 /nfs/dbraw/zinc/39/84/82/606398482.db2.gz TYNNVOIOYUYRKL-GFCCVEGCSA-N -1 3 393.369 3.765 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1CC(F)(F)F ZINC000822184407 606398484 /nfs/dbraw/zinc/39/84/84/606398484.db2.gz TYNNVOIOYUYRKL-GFCCVEGCSA-N -1 3 393.369 3.765 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000821703216 606398548 /nfs/dbraw/zinc/39/85/48/606398548.db2.gz UVRRNOXBZKDRDS-ZDUSSCGKSA-N -1 3 382.420 3.581 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000821703216 606398551 /nfs/dbraw/zinc/39/85/51/606398551.db2.gz UVRRNOXBZKDRDS-ZDUSSCGKSA-N -1 3 382.420 3.581 20 0 GHADHM CC(C)c1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000820192303 606411888 /nfs/dbraw/zinc/41/18/88/606411888.db2.gz IRCWFBRINKXZBB-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)c1ccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000820192303 606411890 /nfs/dbraw/zinc/41/18/90/606411890.db2.gz IRCWFBRINKXZBB-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569740 606412202 /nfs/dbraw/zinc/41/22/02/606412202.db2.gz UHUOKFNIKMYBED-UHFFFAOYSA-N -1 3 382.276 3.831 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569740 606412204 /nfs/dbraw/zinc/41/22/04/606412204.db2.gz UHUOKFNIKMYBED-UHFFFAOYSA-N -1 3 382.276 3.831 20 0 GHADHM COc1cccc(CNCc2ccc(-c3nnn[n-]3)s2)c1OC1CCCC1 ZINC000821869048 606420639 /nfs/dbraw/zinc/42/06/39/606420639.db2.gz ZNEOQBDMLZMBPE-UHFFFAOYSA-N -1 3 385.493 3.548 20 0 GHADHM COc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)OC(C)(C)C ZINC000821724875 606449071 /nfs/dbraw/zinc/44/90/71/606449071.db2.gz YYBYCGDBAHMHPL-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM COc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)OC(C)(C)C ZINC000821724875 606449073 /nfs/dbraw/zinc/44/90/73/606449073.db2.gz YYBYCGDBAHMHPL-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1OCC(F)(F)F ZINC000822209687 606460589 /nfs/dbraw/zinc/46/05/89/606460589.db2.gz RYVYPMYQSOJSKB-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1OCC(F)(F)F ZINC000822209687 606460590 /nfs/dbraw/zinc/46/05/90/606460590.db2.gz RYVYPMYQSOJSKB-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM O=C(O[C@H]1CCc2cc(Br)ccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823397025 606465344 /nfs/dbraw/zinc/46/53/44/606465344.db2.gz QSLBJHBYOFGDSZ-LBPRGKRZSA-N -1 3 391.250 3.535 20 0 GHADHM O=C(O[C@H]1CCc2cc(Br)ccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823397025 606465346 /nfs/dbraw/zinc/46/53/46/606465346.db2.gz QSLBJHBYOFGDSZ-LBPRGKRZSA-N -1 3 391.250 3.535 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)c1nc2ccccc2s1 ZINC000820507457 606468095 /nfs/dbraw/zinc/46/80/95/606468095.db2.gz HNOFNJZDCPWFJR-VHSXEESVSA-N -1 3 385.474 3.887 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)c1nc2ccccc2s1 ZINC000820507457 606468097 /nfs/dbraw/zinc/46/80/97/606468097.db2.gz HNOFNJZDCPWFJR-VHSXEESVSA-N -1 3 385.474 3.887 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)cc1C ZINC000822213771 606478536 /nfs/dbraw/zinc/47/85/36/606478536.db2.gz ADVHGJAPQJVALJ-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)cc1C ZINC000822213771 606478538 /nfs/dbraw/zinc/47/85/38/606478538.db2.gz ADVHGJAPQJVALJ-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(-c2nnn[n-]2)cs1 ZINC000823355553 606486560 /nfs/dbraw/zinc/48/65/60/606486560.db2.gz FBLYTJDTFFBLJK-UHFFFAOYSA-N -1 3 383.433 3.612 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(-c2nn[n-]n2)cs1 ZINC000823355553 606486561 /nfs/dbraw/zinc/48/65/61/606486561.db2.gz FBLYTJDTFFBLJK-UHFFFAOYSA-N -1 3 383.433 3.612 20 0 GHADHM CC[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820841794 606490693 /nfs/dbraw/zinc/49/06/93/606490693.db2.gz DRSGFIBSZBENOL-INIZCTEOSA-N -1 3 389.381 3.696 20 0 GHADHM CC[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820841794 606490694 /nfs/dbraw/zinc/49/06/94/606490694.db2.gz DRSGFIBSZBENOL-INIZCTEOSA-N -1 3 389.381 3.696 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)sc1Cc1ccccc1 ZINC000822449539 606496045 /nfs/dbraw/zinc/49/60/45/606496045.db2.gz DAFQKPIHHFZVKM-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)sc1Cc1ccccc1 ZINC000822449539 606496047 /nfs/dbraw/zinc/49/60/47/606496047.db2.gz DAFQKPIHHFZVKM-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1Oc1ccccc1 ZINC000821573669 606500091 /nfs/dbraw/zinc/50/00/91/606500091.db2.gz ZLCVTEQNAMPKDU-UHFFFAOYSA-N -1 3 377.429 3.997 20 0 GHADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1Oc1ccccc1 ZINC000821573669 606500094 /nfs/dbraw/zinc/50/00/94/606500094.db2.gz ZLCVTEQNAMPKDU-UHFFFAOYSA-N -1 3 377.429 3.997 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140317 606515168 /nfs/dbraw/zinc/51/51/68/606515168.db2.gz SBSMYGVQKSOEEH-AWEZNQCLSA-N -1 3 381.486 3.704 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140317 606515169 /nfs/dbraw/zinc/51/51/69/606515169.db2.gz SBSMYGVQKSOEEH-AWEZNQCLSA-N -1 3 381.486 3.704 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357730 606529045 /nfs/dbraw/zinc/52/90/45/606529045.db2.gz JLKUHYWIDGVBTK-SLEUVZQESA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357730 606529046 /nfs/dbraw/zinc/52/90/46/606529046.db2.gz JLKUHYWIDGVBTK-SLEUVZQESA-N -1 3 396.417 3.596 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1)Cc1ccccc1F ZINC000823466238 606556452 /nfs/dbraw/zinc/55/64/52/606556452.db2.gz HUWUWSSEINXKOB-UHFFFAOYSA-N -1 3 393.447 3.910 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1)Cc1ccccc1F ZINC000823466238 606556453 /nfs/dbraw/zinc/55/64/53/606556453.db2.gz HUWUWSSEINXKOB-UHFFFAOYSA-N -1 3 393.447 3.910 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(Sc2ccccc2)CCCC1 ZINC000823092896 606557538 /nfs/dbraw/zinc/55/75/38/606557538.db2.gz OCUQPEPCFLWJSK-UHFFFAOYSA-N -1 3 393.516 3.631 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(Sc2ccccc2)CCCC1 ZINC000823092896 606557540 /nfs/dbraw/zinc/55/75/40/606557540.db2.gz OCUQPEPCFLWJSK-UHFFFAOYSA-N -1 3 393.516 3.631 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482870 606578764 /nfs/dbraw/zinc/57/87/64/606578764.db2.gz VZAVINFPEMDUBH-KDOFPFPSSA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482870 606578766 /nfs/dbraw/zinc/57/87/66/606578766.db2.gz VZAVINFPEMDUBH-KDOFPFPSSA-N -1 3 379.464 3.564 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563501 606581959 /nfs/dbraw/zinc/58/19/59/606581959.db2.gz RJBSLEMFISFGJV-ZIAGYGMSSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563501 606581960 /nfs/dbraw/zinc/58/19/60/606581960.db2.gz RJBSLEMFISFGJV-ZIAGYGMSSA-N -1 3 383.883 3.713 20 0 GHADHM Fc1cc(F)c(F)c(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1F ZINC000822753279 606589756 /nfs/dbraw/zinc/58/97/56/606589756.db2.gz LJIKHDGXBCWEJL-UHFFFAOYSA-N -1 3 390.243 3.604 20 0 GHADHM Fc1cc(F)c(F)c(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1F ZINC000822753279 606589758 /nfs/dbraw/zinc/58/97/58/606589758.db2.gz LJIKHDGXBCWEJL-UHFFFAOYSA-N -1 3 390.243 3.604 20 0 GHADHM CCCCC[C@H](C)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821050959 606592474 /nfs/dbraw/zinc/59/24/74/606592474.db2.gz VXVRGALUYLZQNC-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCC[C@H](C)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821050959 606592476 /nfs/dbraw/zinc/59/24/76/606592476.db2.gz VXVRGALUYLZQNC-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM FC(F)(F)CCc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822714139 606600563 /nfs/dbraw/zinc/60/05/63/606600563.db2.gz HESHRSMRDCOOGD-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM FC(F)(F)CCc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822714139 606600564 /nfs/dbraw/zinc/60/05/64/606600564.db2.gz HESHRSMRDCOOGD-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821859502 606600846 /nfs/dbraw/zinc/60/08/46/606600846.db2.gz PAMGMSNPAZSZJG-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821859502 606600848 /nfs/dbraw/zinc/60/08/48/606600848.db2.gz PAMGMSNPAZSZJG-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM CC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819764545 606601336 /nfs/dbraw/zinc/60/13/36/606601336.db2.gz JEJPGWWXCLUDMI-QBFSEMIESA-N -1 3 399.401 3.530 20 0 GHADHM CC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819764545 606601338 /nfs/dbraw/zinc/60/13/38/606601338.db2.gz JEJPGWWXCLUDMI-QBFSEMIESA-N -1 3 399.401 3.530 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823065996 606605701 /nfs/dbraw/zinc/60/57/01/606605701.db2.gz HXWTXYHMABBSHT-HNNXBMFYSA-N -1 3 399.442 3.586 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000823065996 606605703 /nfs/dbraw/zinc/60/57/03/606605703.db2.gz HXWTXYHMABBSHT-HNNXBMFYSA-N -1 3 399.442 3.586 20 0 GHADHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765870 606611876 /nfs/dbraw/zinc/61/18/76/606611876.db2.gz SYCSARXYKMLWIR-FMIVXFBMSA-N -1 3 386.358 3.615 20 0 GHADHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765870 606611877 /nfs/dbraw/zinc/61/18/77/606611877.db2.gz SYCSARXYKMLWIR-FMIVXFBMSA-N -1 3 386.358 3.615 20 0 GHADHM Fc1ccc(NCc2csc(CCc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822782909 606656903 /nfs/dbraw/zinc/65/69/03/606656903.db2.gz LQOJHBCJBLUWJO-UHFFFAOYSA-N -1 3 380.452 3.860 20 0 GHADHM Fc1ccc(NCc2csc(CCc3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822782909 606656904 /nfs/dbraw/zinc/65/69/04/606656904.db2.gz LQOJHBCJBLUWJO-UHFFFAOYSA-N -1 3 380.452 3.860 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823350696 606660928 /nfs/dbraw/zinc/66/09/28/606660928.db2.gz XVCFPZFEOKINEU-KBXCAEBGSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823350696 606660929 /nfs/dbraw/zinc/66/09/29/606660929.db2.gz XVCFPZFEOKINEU-KBXCAEBGSA-N -1 3 376.420 3.675 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820919478 606669505 /nfs/dbraw/zinc/66/95/05/606669505.db2.gz CRAXVEAVNXDWBT-AWEZNQCLSA-N -1 3 377.782 3.679 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820919478 606669506 /nfs/dbraw/zinc/66/95/06/606669506.db2.gz CRAXVEAVNXDWBT-AWEZNQCLSA-N -1 3 377.782 3.679 20 0 GHADHM O=C(Nc1nc2c(s1)CCCCCC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823380489 606672950 /nfs/dbraw/zinc/67/29/50/606672950.db2.gz YWMSFQYJWFUVCV-UHFFFAOYSA-N -1 3 390.419 3.513 20 0 GHADHM O=C(Nc1nc2c(s1)CCCCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823380489 606672951 /nfs/dbraw/zinc/67/29/51/606672951.db2.gz YWMSFQYJWFUVCV-UHFFFAOYSA-N -1 3 390.419 3.513 20 0 GHADHM O=C(NCC1CCC(c2ccccc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823176176 606678839 /nfs/dbraw/zinc/67/88/39/606678839.db2.gz QWCPMHYBNDHRRN-UHFFFAOYSA-N -1 3 397.429 3.849 20 0 GHADHM O=C(NCC1CCC(c2ccccc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823176176 606678840 /nfs/dbraw/zinc/67/88/40/606678840.db2.gz QWCPMHYBNDHRRN-UHFFFAOYSA-N -1 3 397.429 3.849 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCc2cc(Cl)cc(F)c21 ZINC000823453903 606679586 /nfs/dbraw/zinc/67/95/86/606679586.db2.gz FAHIHJDBAAXORV-UHFFFAOYSA-N -1 3 393.756 3.530 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCc2cc(Cl)cc(F)c21 ZINC000823453903 606679587 /nfs/dbraw/zinc/67/95/87/606679587.db2.gz FAHIHJDBAAXORV-UHFFFAOYSA-N -1 3 393.756 3.530 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822233665 606683540 /nfs/dbraw/zinc/68/35/40/606683540.db2.gz SOFHWIFXPKAWHP-ZUZCIYMTSA-N -1 3 387.390 3.660 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822233665 606683541 /nfs/dbraw/zinc/68/35/41/606683541.db2.gz SOFHWIFXPKAWHP-ZUZCIYMTSA-N -1 3 387.390 3.660 20 0 GHADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323143 606686847 /nfs/dbraw/zinc/68/68/47/606686847.db2.gz CZUCHUCDHYHRKP-UHFFFAOYSA-N -1 3 397.307 3.892 20 0 GHADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823323143 606686848 /nfs/dbraw/zinc/68/68/48/606686848.db2.gz CZUCHUCDHYHRKP-UHFFFAOYSA-N -1 3 397.307 3.892 20 0 GHADHM Cc1csc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822414768 606707852 /nfs/dbraw/zinc/70/78/52/606707852.db2.gz SWSVXPKRPKICAK-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1csc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822414768 606707854 /nfs/dbraw/zinc/70/78/54/606707854.db2.gz SWSVXPKRPKICAK-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1F ZINC000822229320 606718442 /nfs/dbraw/zinc/71/84/42/606718442.db2.gz ROHXTMWXYAYRLU-LBPRGKRZSA-N -1 3 385.447 3.753 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1F ZINC000822229320 606718445 /nfs/dbraw/zinc/71/84/45/606718445.db2.gz ROHXTMWXYAYRLU-LBPRGKRZSA-N -1 3 385.447 3.753 20 0 GHADHM C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820391953 606734201 /nfs/dbraw/zinc/73/42/01/606734201.db2.gz SDSGDTPDSREBHP-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820391953 606734203 /nfs/dbraw/zinc/73/42/03/606734203.db2.gz SDSGDTPDSREBHP-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM O=C(OCc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823431612 606747263 /nfs/dbraw/zinc/74/72/63/606747263.db2.gz SXDGOCJNMMCOCJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823431612 606747265 /nfs/dbraw/zinc/74/72/65/606747265.db2.gz SXDGOCJNMMCOCJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820497692 606747871 /nfs/dbraw/zinc/74/78/71/606747871.db2.gz UPOHUXSGRWQKQX-CQSZACIVSA-N -1 3 375.432 3.595 20 0 GHADHM C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820497692 606747872 /nfs/dbraw/zinc/74/78/72/606747872.db2.gz UPOHUXSGRWQKQX-CQSZACIVSA-N -1 3 375.432 3.595 20 0 GHADHM Cc1ncsc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822482022 606768079 /nfs/dbraw/zinc/76/80/79/606768079.db2.gz IUEWKONEACCWRO-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823309085 606784151 /nfs/dbraw/zinc/78/41/51/606784151.db2.gz RSIDHQFSCTUARJ-INIZCTEOSA-N -1 3 389.419 3.767 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823309085 606784156 /nfs/dbraw/zinc/78/41/56/606784156.db2.gz RSIDHQFSCTUARJ-INIZCTEOSA-N -1 3 389.419 3.767 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC(C)(C)C2)cc1 ZINC000822135849 606796432 /nfs/dbraw/zinc/79/64/32/606796432.db2.gz FVGBBNPSAAUIOQ-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC(C)(C)C2)cc1 ZINC000822135849 606796433 /nfs/dbraw/zinc/79/64/33/606796433.db2.gz FVGBBNPSAAUIOQ-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000822741537 606797463 /nfs/dbraw/zinc/79/74/63/606797463.db2.gz YKRTYDWTTIYCER-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000822741537 606797465 /nfs/dbraw/zinc/79/74/65/606797465.db2.gz YKRTYDWTTIYCER-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H]2CCCSC2)cc1 ZINC000822143311 606798090 /nfs/dbraw/zinc/79/80/90/606798090.db2.gz BEXLDIXIKKHLKG-INIZCTEOSA-N -1 3 395.488 3.593 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H]2CCCSC2)cc1 ZINC000822143311 606798092 /nfs/dbraw/zinc/79/80/92/606798092.db2.gz BEXLDIXIKKHLKG-INIZCTEOSA-N -1 3 395.488 3.593 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822732900 606799544 /nfs/dbraw/zinc/79/95/44/606799544.db2.gz NZRRDIHFYIZXKB-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822732900 606799546 /nfs/dbraw/zinc/79/95/46/606799546.db2.gz NZRRDIHFYIZXKB-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000822732610 606799848 /nfs/dbraw/zinc/79/98/48/606799848.db2.gz MHGRRMNSNNXVFO-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000822732610 606799850 /nfs/dbraw/zinc/79/98/50/606799850.db2.gz MHGRRMNSNNXVFO-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000821763064 606806468 /nfs/dbraw/zinc/80/64/68/606806468.db2.gz UWDOTRNLRLQOTF-SFHVURJKSA-N -1 3 392.463 3.861 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000821763064 606806469 /nfs/dbraw/zinc/80/64/69/606806469.db2.gz UWDOTRNLRLQOTF-SFHVURJKSA-N -1 3 392.463 3.861 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231085 606807869 /nfs/dbraw/zinc/80/78/69/606807869.db2.gz ZGPCHFPFFKAIEB-UZLBHIALSA-N -1 3 391.475 3.615 20 0 GHADHM O=C([C@H]1CCSC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822917772 606811418 /nfs/dbraw/zinc/81/14/18/606811418.db2.gz WRRKFCMNEHJTEU-AWEZNQCLSA-N -1 3 399.907 3.806 20 0 GHADHM O=C([C@H]1CCSC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822917772 606811420 /nfs/dbraw/zinc/81/14/20/606811420.db2.gz WRRKFCMNEHJTEU-AWEZNQCLSA-N -1 3 399.907 3.806 20 0 GHADHM FC(F)(F)COc1ccccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822718922 606839796 /nfs/dbraw/zinc/83/97/96/606839796.db2.gz VFSJRBFVJQNMON-UHFFFAOYSA-N -1 3 394.353 3.656 20 0 GHADHM FC(F)(F)COc1ccccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822718922 606839798 /nfs/dbraw/zinc/83/97/98/606839798.db2.gz VFSJRBFVJQNMON-UHFFFAOYSA-N -1 3 394.353 3.656 20 0 GHADHM CC(=O)Nc1cccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819826012 606840791 /nfs/dbraw/zinc/84/07/91/606840791.db2.gz CHXICTCNJUYRMF-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM CC(=O)Nc1cccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819826012 606840793 /nfs/dbraw/zinc/84/07/93/606840793.db2.gz CHXICTCNJUYRMF-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM Cc1ccccc1NC(=O)[C@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822362120 606843244 /nfs/dbraw/zinc/84/32/44/606843244.db2.gz MQYHHHFWUVOFAO-HNNXBMFYSA-N -1 3 397.504 3.704 20 0 GHADHM Cc1ccccc1NC(=O)[C@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822362120 606843245 /nfs/dbraw/zinc/84/32/45/606843245.db2.gz MQYHHHFWUVOFAO-HNNXBMFYSA-N -1 3 397.504 3.704 20 0 GHADHM CCc1ccccc1NC(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821497542 606843265 /nfs/dbraw/zinc/84/32/65/606843265.db2.gz VQNCKSZCUHPTKE-UHFFFAOYSA-N -1 3 397.504 3.570 20 0 GHADHM CCc1ccccc1NC(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821497542 606843267 /nfs/dbraw/zinc/84/32/67/606843267.db2.gz VQNCKSZCUHPTKE-UHFFFAOYSA-N -1 3 397.504 3.570 20 0 GHADHM CCCCCc1nc2ccccc2n1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821062295 606844443 /nfs/dbraw/zinc/84/44/43/606844443.db2.gz WJOSGIYFVYPIFQ-IBGZPJMESA-N -1 3 376.464 3.683 20 0 GHADHM CCCCCc1nc2ccccc2n1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821062295 606844445 /nfs/dbraw/zinc/84/44/45/606844445.db2.gz WJOSGIYFVYPIFQ-IBGZPJMESA-N -1 3 376.464 3.683 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000820549130 606852977 /nfs/dbraw/zinc/85/29/77/606852977.db2.gz KPPWDTAWUJDNSJ-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000820549130 606852978 /nfs/dbraw/zinc/85/29/78/606852978.db2.gz KPPWDTAWUJDNSJ-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM CCc1noc(C)c1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821553793 606860022 /nfs/dbraw/zinc/86/00/22/606860022.db2.gz KDTVUSAHMJGMQG-UHFFFAOYSA-N -1 3 381.408 3.760 20 0 GHADHM CCc1noc(C)c1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821553793 606860025 /nfs/dbraw/zinc/86/00/25/606860025.db2.gz KDTVUSAHMJGMQG-UHFFFAOYSA-N -1 3 381.408 3.760 20 0 GHADHM Fc1ccccc1-c1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822790991 606866293 /nfs/dbraw/zinc/86/62/93/606866293.db2.gz CTVYLMKUCUJMFX-UHFFFAOYSA-N -1 3 398.423 3.617 20 0 GHADHM Fc1ccccc1-c1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822790991 606866295 /nfs/dbraw/zinc/86/62/95/606866295.db2.gz CTVYLMKUCUJMFX-UHFFFAOYSA-N -1 3 398.423 3.617 20 0 GHADHM O=C(OCc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823440387 606891289 /nfs/dbraw/zinc/89/12/89/606891289.db2.gz QSMJDVUAOBXJJS-UHFFFAOYSA-N -1 3 399.332 3.791 20 0 GHADHM O=C(OCc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823440387 606891290 /nfs/dbraw/zinc/89/12/90/606891290.db2.gz QSMJDVUAOBXJJS-UHFFFAOYSA-N -1 3 399.332 3.791 20 0 GHADHM COC1CCC(OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000821679972 606897543 /nfs/dbraw/zinc/89/75/43/606897543.db2.gz UXGZFNURLISBNA-UHFFFAOYSA-N -1 3 394.431 3.773 20 0 GHADHM COC1CCC(OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000821679972 606897545 /nfs/dbraw/zinc/89/75/45/606897545.db2.gz UXGZFNURLISBNA-UHFFFAOYSA-N -1 3 394.431 3.773 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238433 606948007 /nfs/dbraw/zinc/94/80/07/606948007.db2.gz HOZYAMDLVMRKBN-OAHLLOKOSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238433 606948009 /nfs/dbraw/zinc/94/80/09/606948009.db2.gz HOZYAMDLVMRKBN-OAHLLOKOSA-N -1 3 385.855 3.608 20 0 GHADHM CC(C)Oc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820178406 606960202 /nfs/dbraw/zinc/96/02/02/606960202.db2.gz OSEGXXSTDQCQJM-UHFFFAOYSA-N -1 3 385.855 3.513 20 0 GHADHM CC(C)Oc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820178406 606960205 /nfs/dbraw/zinc/96/02/05/606960205.db2.gz OSEGXXSTDQCQJM-UHFFFAOYSA-N -1 3 385.855 3.513 20 0 GHADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)cc1F ZINC000822169174 606963660 /nfs/dbraw/zinc/96/36/60/606963660.db2.gz YVLTWLZJFZRCMI-UHFFFAOYSA-N -1 3 380.210 3.898 20 0 GHADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)cc1F ZINC000822169174 606963662 /nfs/dbraw/zinc/96/36/62/606963662.db2.gz YVLTWLZJFZRCMI-UHFFFAOYSA-N -1 3 380.210 3.898 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820293776 606964007 /nfs/dbraw/zinc/96/40/07/606964007.db2.gz NLVJWZVICHGWTG-GFCCVEGCSA-N -1 3 387.896 3.911 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820293776 606964008 /nfs/dbraw/zinc/96/40/08/606964008.db2.gz NLVJWZVICHGWTG-GFCCVEGCSA-N -1 3 387.896 3.911 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820352618 606967449 /nfs/dbraw/zinc/96/74/49/606967449.db2.gz WWXVWTLKRLVZIJ-FOIQADDNSA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820352618 606967451 /nfs/dbraw/zinc/96/74/51/606967451.db2.gz WWXVWTLKRLVZIJ-FOIQADDNSA-N -1 3 390.491 3.893 20 0 GHADHM CN(C(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000821572166 606974983 /nfs/dbraw/zinc/97/49/83/606974983.db2.gz UAQJLHLTUJPAKV-UHFFFAOYSA-N -1 3 396.410 3.952 20 0 GHADHM CN(C(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000821572166 606974985 /nfs/dbraw/zinc/97/49/85/606974985.db2.gz UAQJLHLTUJPAKV-UHFFFAOYSA-N -1 3 396.410 3.952 20 0 GHADHM O=C(c1ccc(-c2ccco2)s1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823472615 606992893 /nfs/dbraw/zinc/99/28/93/606992893.db2.gz SPMBFIRHGQYRAA-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM O=C(c1ccc(-c2ccco2)s1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823472615 606992894 /nfs/dbraw/zinc/99/28/94/606992894.db2.gz SPMBFIRHGQYRAA-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c2cccnc12 ZINC000823426929 606996350 /nfs/dbraw/zinc/99/63/50/606996350.db2.gz REOLTKNCYSTSGD-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c2cccnc12 ZINC000823426929 606996351 /nfs/dbraw/zinc/99/63/51/606996351.db2.gz REOLTKNCYSTSGD-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822955547 606999055 /nfs/dbraw/zinc/99/90/55/606999055.db2.gz ZPHLUCVJXKRXGD-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822955547 606999056 /nfs/dbraw/zinc/99/90/56/606999056.db2.gz ZPHLUCVJXKRXGD-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1ccncc1 ZINC000820727208 607007004 /nfs/dbraw/zinc/00/70/04/607007004.db2.gz ITYFOKCEZWHIKE-VXGBXAGGSA-N -1 3 382.493 3.580 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1ccncc1 ZINC000820727208 607007006 /nfs/dbraw/zinc/00/70/06/607007006.db2.gz ITYFOKCEZWHIKE-VXGBXAGGSA-N -1 3 382.493 3.580 20 0 GHADHM CC(C)[C@H](CNC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820020423 607012774 /nfs/dbraw/zinc/01/27/74/607012774.db2.gz GDYFTJYFUUVBJW-SFHVURJKSA-N -1 3 381.505 3.515 20 0 GHADHM CC(C)[C@H](CNC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820020423 607012775 /nfs/dbraw/zinc/01/27/75/607012775.db2.gz GDYFTJYFUUVBJW-SFHVURJKSA-N -1 3 381.505 3.515 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820554849 607013187 /nfs/dbraw/zinc/01/31/87/607013187.db2.gz AIKOAFGJGXRBSO-SWLSCSKDSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820554849 607013189 /nfs/dbraw/zinc/01/31/89/607013189.db2.gz AIKOAFGJGXRBSO-SWLSCSKDSA-N -1 3 385.518 3.773 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822207171 607013788 /nfs/dbraw/zinc/01/37/88/607013788.db2.gz NASLNCFYBMGBFG-UHFFFAOYSA-N -1 3 394.504 3.506 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822207171 607013790 /nfs/dbraw/zinc/01/37/90/607013790.db2.gz NASLNCFYBMGBFG-UHFFFAOYSA-N -1 3 394.504 3.506 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000819913928 607014405 /nfs/dbraw/zinc/01/44/05/607014405.db2.gz HUVBOESGTJFPSR-UHFFFAOYSA-N -1 3 381.505 3.786 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000819913928 607014407 /nfs/dbraw/zinc/01/44/07/607014407.db2.gz HUVBOESGTJFPSR-UHFFFAOYSA-N -1 3 381.505 3.786 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821009599 607016724 /nfs/dbraw/zinc/01/67/24/607016724.db2.gz WPHBVJRZXCOICK-ZDUSSCGKSA-N -1 3 395.488 3.969 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821009599 607016725 /nfs/dbraw/zinc/01/67/25/607016725.db2.gz WPHBVJRZXCOICK-ZDUSSCGKSA-N -1 3 395.488 3.969 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)Nc1ccccc1 ZINC000821118091 607042815 /nfs/dbraw/zinc/04/28/15/607042815.db2.gz GZAUORSXZQFPMX-INIZCTEOSA-N -1 3 379.468 3.518 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)sc2n1 ZINC000822195182 607075579 /nfs/dbraw/zinc/07/55/79/607075579.db2.gz JLOXHWKMDAIMQE-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)sc2n1 ZINC000822195182 607075581 /nfs/dbraw/zinc/07/55/81/607075581.db2.gz JLOXHWKMDAIMQE-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000822201914 607079942 /nfs/dbraw/zinc/07/99/42/607079942.db2.gz BJMYSQRIZGERSS-UHFFFAOYSA-N -1 3 399.886 3.914 20 0 GHADHM Cc1cc(Cl)ncc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000822201914 607079943 /nfs/dbraw/zinc/07/99/43/607079943.db2.gz BJMYSQRIZGERSS-UHFFFAOYSA-N -1 3 399.886 3.914 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821394135 607093917 /nfs/dbraw/zinc/09/39/17/607093917.db2.gz HOQMXDVXFFFVCC-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821394135 607093918 /nfs/dbraw/zinc/09/39/18/607093918.db2.gz HOQMXDVXFFFVCC-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCN(Cc1csc(N(C)C2CC2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230709 607097925 /nfs/dbraw/zinc/09/79/25/607097925.db2.gz OEGKQFRIJGPOQX-ZDUSSCGKSA-N -1 3 383.525 3.505 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)Cc1ccccc1OC ZINC000821293601 607101612 /nfs/dbraw/zinc/10/16/12/607101612.db2.gz LQYIBFANOJTMNG-CQSZACIVSA-N -1 3 394.479 3.515 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000821293262 607101636 /nfs/dbraw/zinc/10/16/36/607101636.db2.gz IZYHBHNICZJPKM-HUUCEWRRSA-N -1 3 382.855 3.694 20 0 GHADHM Cc1cccc(C)c1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822293635 607110788 /nfs/dbraw/zinc/11/07/88/607110788.db2.gz FGIHRZZLOVJATI-UHFFFAOYSA-N -1 3 378.480 3.604 20 0 GHADHM Cc1cccc(C)c1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822293635 607110789 /nfs/dbraw/zinc/11/07/89/607110789.db2.gz FGIHRZZLOVJATI-UHFFFAOYSA-N -1 3 378.480 3.604 20 0 GHADHM Cc1ccc2ccccc2c1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822280048 607113234 /nfs/dbraw/zinc/11/32/34/607113234.db2.gz ITCISNUJCBRBGE-UHFFFAOYSA-N -1 3 380.354 3.964 20 0 GHADHM Cc1ccc2ccccc2c1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822280048 607113236 /nfs/dbraw/zinc/11/32/36/607113236.db2.gz ITCISNUJCBRBGE-UHFFFAOYSA-N -1 3 380.354 3.964 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000820479983 607118005 /nfs/dbraw/zinc/11/80/05/607118005.db2.gz DZPKSGZINPAMHW-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000820479983 607118007 /nfs/dbraw/zinc/11/80/07/607118007.db2.gz DZPKSGZINPAMHW-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM Clc1cccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000822585695 607125280 /nfs/dbraw/zinc/12/52/80/607125280.db2.gz LGPOMSZIGJLGNE-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2ccc(Br)cc21 ZINC000822748392 607128891 /nfs/dbraw/zinc/12/88/91/607128891.db2.gz WUZAIFXBSUSZLP-UHFFFAOYSA-N -1 3 387.172 3.504 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccc(Br)cc21 ZINC000822748392 607128893 /nfs/dbraw/zinc/12/88/93/607128893.db2.gz WUZAIFXBSUSZLP-UHFFFAOYSA-N -1 3 387.172 3.504 20 0 GHADHM O=C(NC1CC=CC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823145262 607141942 /nfs/dbraw/zinc/14/19/42/607141942.db2.gz PKOUSGCPQFBCQI-UHFFFAOYSA-N -1 3 377.473 3.607 20 0 GHADHM O=C(NC1CC=CC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823145262 607141944 /nfs/dbraw/zinc/14/19/44/607141944.db2.gz PKOUSGCPQFBCQI-UHFFFAOYSA-N -1 3 377.473 3.607 20 0 GHADHM O=C(Cc1ccc(O)cc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823082840 607143123 /nfs/dbraw/zinc/14/31/23/607143123.db2.gz SPZPDFUIIUYDTF-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@@H]1CC12CCC2 ZINC000823383509 607144915 /nfs/dbraw/zinc/14/49/15/607144915.db2.gz STRAVQNIIJEECG-ZDUSSCGKSA-N -1 3 377.473 3.823 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@@H]1CC12CCC2 ZINC000823383509 607144917 /nfs/dbraw/zinc/14/49/17/607144917.db2.gz STRAVQNIIJEECG-ZDUSSCGKSA-N -1 3 377.473 3.823 20 0 GHADHM C[C@H](SCc1cc(-c2nnn[n-]2)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000820548638 607149748 /nfs/dbraw/zinc/14/97/48/607149748.db2.gz DHOUXOYXZMZKDW-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@H](SCc1cc(-c2nn[n-]n2)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000820548638 607149749 /nfs/dbraw/zinc/14/97/49/607149749.db2.gz DHOUXOYXZMZKDW-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM Cc1ccccc1-c1nc(CSCCOc2cccc(-c3nnn[n-]3)c2)no1 ZINC000822345871 607150679 /nfs/dbraw/zinc/15/06/79/607150679.db2.gz VHYKREHXOMBZDD-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM Cc1ccccc1-c1nc(CSCCOc2cccc(-c3nn[n-]n3)c2)no1 ZINC000822345871 607150681 /nfs/dbraw/zinc/15/06/81/607150681.db2.gz VHYKREHXOMBZDD-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081591 607153033 /nfs/dbraw/zinc/15/30/33/607153033.db2.gz MDBWFFPMOSGZRP-MRXNPFEDSA-N -1 3 379.464 3.571 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081591 607153034 /nfs/dbraw/zinc/15/30/34/607153034.db2.gz MDBWFFPMOSGZRP-MRXNPFEDSA-N -1 3 379.464 3.571 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccc(F)cc1 ZINC000821565112 607169907 /nfs/dbraw/zinc/16/99/07/607169907.db2.gz DROAXWRTRZYNRN-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccc(F)cc1 ZINC000821565112 607169908 /nfs/dbraw/zinc/16/99/08/607169908.db2.gz DROAXWRTRZYNRN-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040530 607189426 /nfs/dbraw/zinc/18/94/26/607189426.db2.gz MQHWNHHJZCXYLX-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040530 607189427 /nfs/dbraw/zinc/18/94/27/607189427.db2.gz MQHWNHHJZCXYLX-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)on2)cc1 ZINC000822213919 607190026 /nfs/dbraw/zinc/19/00/26/607190026.db2.gz HATKJXFVBZBUOL-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821849447 607190764 /nfs/dbraw/zinc/19/07/64/607190764.db2.gz IYKUWKSVVOMKOR-CYBMUJFWSA-N -1 3 397.866 3.977 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821849447 607190765 /nfs/dbraw/zinc/19/07/65/607190765.db2.gz IYKUWKSVVOMKOR-CYBMUJFWSA-N -1 3 397.866 3.977 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823308861 607193684 /nfs/dbraw/zinc/19/36/84/607193684.db2.gz LDWFZJRFHYKJJB-ZDUSSCGKSA-N -1 3 390.875 3.524 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823308861 607193685 /nfs/dbraw/zinc/19/36/85/607193685.db2.gz LDWFZJRFHYKJJB-ZDUSSCGKSA-N -1 3 390.875 3.524 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821889953 607195774 /nfs/dbraw/zinc/19/57/74/607195774.db2.gz HZAFADWBLSIMCU-MRXNPFEDSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821889953 607195775 /nfs/dbraw/zinc/19/57/75/607195775.db2.gz HZAFADWBLSIMCU-MRXNPFEDSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821849666 607200198 /nfs/dbraw/zinc/20/01/98/607200198.db2.gz OIDQRASGTFLWAE-INIZCTEOSA-N -1 3 398.854 3.728 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821849666 607200199 /nfs/dbraw/zinc/20/01/99/607200199.db2.gz OIDQRASGTFLWAE-INIZCTEOSA-N -1 3 398.854 3.728 20 0 GHADHM CCO[C@@H](CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000821351086 607201052 /nfs/dbraw/zinc/20/10/52/607201052.db2.gz KNKROCKSRCTTEF-INIZCTEOSA-N -1 3 392.891 3.627 20 0 GHADHM CCO[C@@H](CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000821351086 607201053 /nfs/dbraw/zinc/20/10/53/607201053.db2.gz KNKROCKSRCTTEF-INIZCTEOSA-N -1 3 392.891 3.627 20 0 GHADHM CCOc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821416729 607203317 /nfs/dbraw/zinc/20/33/17/607203317.db2.gz CRDRVCBZMPJMJQ-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM CCOc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821416729 607203318 /nfs/dbraw/zinc/20/33/18/607203318.db2.gz CRDRVCBZMPJMJQ-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM COc1ccc(OC)c(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)c1 ZINC000821842215 607227441 /nfs/dbraw/zinc/22/74/41/607227441.db2.gz QIMDTHXEDOOIBE-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(OC)c(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)c1 ZINC000821842215 607227442 /nfs/dbraw/zinc/22/74/42/607227442.db2.gz QIMDTHXEDOOIBE-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820937994 607234492 /nfs/dbraw/zinc/23/44/92/607234492.db2.gz GJEPNUJZVNBVFJ-RDJZCZTQSA-N -1 3 396.882 3.714 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820937994 607234493 /nfs/dbraw/zinc/23/44/93/607234493.db2.gz GJEPNUJZVNBVFJ-RDJZCZTQSA-N -1 3 396.882 3.714 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000820214596 607237159 /nfs/dbraw/zinc/23/71/59/607237159.db2.gz KGBBULOQUUTWNS-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000820214596 607237160 /nfs/dbraw/zinc/23/71/60/607237160.db2.gz KGBBULOQUUTWNS-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccccc1 ZINC000821460886 607241418 /nfs/dbraw/zinc/24/14/18/607241418.db2.gz GCALFFGFUNQHOR-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccccc1 ZINC000821460886 607241419 /nfs/dbraw/zinc/24/14/19/607241419.db2.gz GCALFFGFUNQHOR-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812943 607787145 /nfs/dbraw/zinc/78/71/45/607787145.db2.gz YGCZDXCKLRUFKO-QWHCGFSZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812943 607787146 /nfs/dbraw/zinc/78/71/46/607787146.db2.gz YGCZDXCKLRUFKO-QWHCGFSZSA-N -1 3 388.258 3.940 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000824385222 607790494 /nfs/dbraw/zinc/79/04/94/607790494.db2.gz OICXJARPLRJVFV-SECBINFHSA-N -1 3 377.782 3.931 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000824385222 607790495 /nfs/dbraw/zinc/79/04/95/607790495.db2.gz OICXJARPLRJVFV-SECBINFHSA-N -1 3 377.782 3.931 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362674 607798111 /nfs/dbraw/zinc/79/81/11/607798111.db2.gz QKHSFUBHEAOYID-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362674 607798112 /nfs/dbraw/zinc/79/81/12/607798112.db2.gz QKHSFUBHEAOYID-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379249 607799307 /nfs/dbraw/zinc/79/93/07/607799307.db2.gz DLNAIWSHDWCORM-UHFFFAOYSA-N -1 3 395.492 3.605 20 0 GHADHM CCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379249 607799308 /nfs/dbraw/zinc/79/93/08/607799308.db2.gz DLNAIWSHDWCORM-UHFFFAOYSA-N -1 3 395.492 3.605 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825308077 607799625 /nfs/dbraw/zinc/79/96/25/607799625.db2.gz ULUWQRSURVMYDR-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825308077 607799626 /nfs/dbraw/zinc/79/96/26/607799626.db2.gz ULUWQRSURVMYDR-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)Cc2ccccc2Cl)s1 ZINC000825693697 607827081 /nfs/dbraw/zinc/82/70/81/607827081.db2.gz ALBRRTFOUMAYMU-SNVBAGLBSA-N -1 3 375.885 3.961 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)Cc2ccccc2Cl)s1 ZINC000825693697 607827082 /nfs/dbraw/zinc/82/70/82/607827082.db2.gz ALBRRTFOUMAYMU-SNVBAGLBSA-N -1 3 375.885 3.961 20 0 GHADHM Cc1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)ccc1N(C)C ZINC000826270476 607833386 /nfs/dbraw/zinc/83/33/86/607833386.db2.gz BPNZBZIBSSMASE-UHFFFAOYSA-N -1 3 391.262 3.800 20 0 GHADHM Cc1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)ccc1N(C)C ZINC000826270476 607833387 /nfs/dbraw/zinc/83/33/87/607833387.db2.gz BPNZBZIBSSMASE-UHFFFAOYSA-N -1 3 391.262 3.800 20 0 GHADHM CC[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1nc(C)cs1 ZINC000825132517 607834137 /nfs/dbraw/zinc/83/41/37/607834137.db2.gz AASATQIPBOHBLB-NSHDSACASA-N -1 3 397.291 3.820 20 0 GHADHM CC[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1nc(C)cs1 ZINC000825132517 607834138 /nfs/dbraw/zinc/83/41/38/607834138.db2.gz AASATQIPBOHBLB-NSHDSACASA-N -1 3 397.291 3.820 20 0 GHADHM FC(F)(F)c1ccc(NCCCCNc2ccccn2)cc1-c1nnn[n-]1 ZINC000826369285 607841324 /nfs/dbraw/zinc/84/13/24/607841324.db2.gz VVQGYMIUUWRZBE-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM FC(F)(F)c1ccc(NCCCCNc2ccccn2)cc1-c1nn[n-]n1 ZINC000826369285 607841325 /nfs/dbraw/zinc/84/13/25/607841325.db2.gz VVQGYMIUUWRZBE-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826243051 607874045 /nfs/dbraw/zinc/87/40/45/607874045.db2.gz RTLKPQAOLDFSPM-HNNXBMFYSA-N -1 3 378.354 3.615 20 0 GHADHM O[C@@H](COc1ccccc1Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826504838 607877631 /nfs/dbraw/zinc/87/76/31/607877631.db2.gz GEHIZTNAKMYACS-KRWDZBQOSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@@H](COc1ccccc1Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826504838 607877632 /nfs/dbraw/zinc/87/76/32/607877632.db2.gz GEHIZTNAKMYACS-KRWDZBQOSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@H](COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1F ZINC000826505539 607878433 /nfs/dbraw/zinc/87/84/33/607878433.db2.gz YGGUQJADJALRNO-HXUWFJFHSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@H](COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1F ZINC000826505539 607878434 /nfs/dbraw/zinc/87/84/34/607878434.db2.gz YGGUQJADJALRNO-HXUWFJFHSA-N -1 3 392.390 3.911 20 0 GHADHM CCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379896 607879193 /nfs/dbraw/zinc/87/91/93/607879193.db2.gz LMIHIYJYIOKGCS-UHFFFAOYSA-N -1 3 399.669 3.832 20 0 GHADHM CCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379896 607879194 /nfs/dbraw/zinc/87/91/94/607879194.db2.gz LMIHIYJYIOKGCS-UHFFFAOYSA-N -1 3 399.669 3.832 20 0 GHADHM CC1=CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000824853160 607910478 /nfs/dbraw/zinc/91/04/78/607910478.db2.gz XKVZZCOMCKDFIB-UHFFFAOYSA-N -1 3 377.473 3.810 20 0 GHADHM CC1=CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000824853160 607910479 /nfs/dbraw/zinc/91/04/79/607910479.db2.gz XKVZZCOMCKDFIB-UHFFFAOYSA-N -1 3 377.473 3.810 20 0 GHADHM FC(F)(F)c1nc2ccccc2c(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC000826369224 607935988 /nfs/dbraw/zinc/93/59/88/607935988.db2.gz SKAJKIOWFRTECP-UHFFFAOYSA-N -1 3 383.337 3.523 20 0 GHADHM FC(F)(F)c1nc2ccccc2c(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC000826369224 607935989 /nfs/dbraw/zinc/93/59/89/607935989.db2.gz SKAJKIOWFRTECP-UHFFFAOYSA-N -1 3 383.337 3.523 20 0 GHADHM O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473784 607945781 /nfs/dbraw/zinc/94/57/81/607945781.db2.gz OAUBSGPYGLJKIU-UHFFFAOYSA-N -1 3 379.423 3.641 20 0 GHADHM O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473784 607945782 /nfs/dbraw/zinc/94/57/82/607945782.db2.gz OAUBSGPYGLJKIU-UHFFFAOYSA-N -1 3 379.423 3.641 20 0 GHADHM O=C(c1cc2c(cccc2Cl)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470594 607952020 /nfs/dbraw/zinc/95/20/20/607952020.db2.gz WCIARLFEQSOTBC-UHFFFAOYSA-N -1 3 381.848 3.938 20 0 GHADHM O=C(c1cc2c(cccc2Cl)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470594 607952021 /nfs/dbraw/zinc/95/20/21/607952021.db2.gz WCIARLFEQSOTBC-UHFFFAOYSA-N -1 3 381.848 3.938 20 0 GHADHM Cc1cc(CSc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)on1 ZINC000826267815 607965132 /nfs/dbraw/zinc/96/51/32/607965132.db2.gz XSBUNMRNXRJBFS-UHFFFAOYSA-N -1 3 380.433 3.599 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337418 607965838 /nfs/dbraw/zinc/96/58/38/607965838.db2.gz NQYNCGXTBPDUHU-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337418 607965839 /nfs/dbraw/zinc/96/58/39/607965839.db2.gz NQYNCGXTBPDUHU-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM Cn1cc(-c2ccccc2CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000826356326 607966623 /nfs/dbraw/zinc/96/66/23/607966623.db2.gz LLWHBUFOJBMEKC-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cn1cc(-c2ccccc2CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000826356326 607966624 /nfs/dbraw/zinc/96/66/24/607966624.db2.gz LLWHBUFOJBMEKC-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cc1cc(N[C@@H](c2cccnc2)C2CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270902 607968942 /nfs/dbraw/zinc/96/89/42/607968942.db2.gz SWYAEGNORZBYRQ-HXUWFJFHSA-N -1 3 396.458 3.934 20 0 GHADHM Cc1cc(N[C@@H](c2cccnc2)C2CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270902 607968943 /nfs/dbraw/zinc/96/89/43/607968943.db2.gz SWYAEGNORZBYRQ-HXUWFJFHSA-N -1 3 396.458 3.934 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362290 607978409 /nfs/dbraw/zinc/97/84/09/607978409.db2.gz MASYWNZVHGJQFF-HOTGVXAUSA-N -1 3 393.491 3.664 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362290 607978410 /nfs/dbraw/zinc/97/84/10/607978410.db2.gz MASYWNZVHGJQFF-HOTGVXAUSA-N -1 3 393.491 3.664 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1CCC(F)(F)F ZINC000826453917 607981670 /nfs/dbraw/zinc/98/16/70/607981670.db2.gz DIFJYXHUMRVQTL-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1CCC(F)(F)F ZINC000826453917 607981671 /nfs/dbraw/zinc/98/16/71/607981671.db2.gz DIFJYXHUMRVQTL-UHFFFAOYSA-N -1 3 379.317 3.753 20 0 GHADHM CC(C)(C)C1=CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824071814 608003442 /nfs/dbraw/zinc/00/34/42/608003442.db2.gz NVCDOMFLUJJPEY-UHFFFAOYSA-N -1 3 383.496 3.621 20 0 GHADHM CC(C)(C)C1=CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824071814 608003443 /nfs/dbraw/zinc/00/34/43/608003443.db2.gz NVCDOMFLUJJPEY-UHFFFAOYSA-N -1 3 383.496 3.621 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000825957831 608025022 /nfs/dbraw/zinc/02/50/22/608025022.db2.gz HVNLIGJVEZTTNO-UHFFFAOYSA-N -1 3 397.429 3.615 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000825957831 608025023 /nfs/dbraw/zinc/02/50/23/608025023.db2.gz HVNLIGJVEZTTNO-UHFFFAOYSA-N -1 3 397.429 3.615 20 0 GHADHM CC(C)CONC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824271576 608059579 /nfs/dbraw/zinc/05/95/79/608059579.db2.gz PJPXZUREOHIVBG-UHFFFAOYSA-N -1 3 387.827 3.630 20 0 GHADHM CC(C)CONC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824271576 608059580 /nfs/dbraw/zinc/05/95/80/608059580.db2.gz PJPXZUREOHIVBG-UHFFFAOYSA-N -1 3 387.827 3.630 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000826473328 608072312 /nfs/dbraw/zinc/07/23/12/608072312.db2.gz TTWALCBOPXSCOG-CJNGLKHVSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000826473328 608072313 /nfs/dbraw/zinc/07/23/13/608072313.db2.gz TTWALCBOPXSCOG-CJNGLKHVSA-N -1 3 395.850 3.937 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC(C)(C)C1 ZINC000824876856 608081641 /nfs/dbraw/zinc/08/16/41/608081641.db2.gz UPQGVQAZQPSATD-GJYPPUQNSA-N -1 3 397.523 3.619 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC(C)(C)C1 ZINC000824876856 608081642 /nfs/dbraw/zinc/08/16/42/608081642.db2.gz UPQGVQAZQPSATD-GJYPPUQNSA-N -1 3 397.523 3.619 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271383 608084396 /nfs/dbraw/zinc/08/43/96/608084396.db2.gz IEIVYFOZUGHMEW-VQIMIIECSA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271383 608084397 /nfs/dbraw/zinc/08/43/97/608084397.db2.gz IEIVYFOZUGHMEW-VQIMIIECSA-N -1 3 385.512 3.763 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499068 608098683 /nfs/dbraw/zinc/09/86/83/608098683.db2.gz NHAFVISMFJVQES-NJSLBKSFSA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499068 608098684 /nfs/dbraw/zinc/09/86/84/608098684.db2.gz NHAFVISMFJVQES-NJSLBKSFSA-N -1 3 376.464 3.551 20 0 GHADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825966341 608106546 /nfs/dbraw/zinc/10/65/46/608106546.db2.gz YYVWBYGQWGSLAD-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825966341 608106547 /nfs/dbraw/zinc/10/65/47/608106547.db2.gz YYVWBYGQWGSLAD-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cccc(F)n1 ZINC000826271666 608120132 /nfs/dbraw/zinc/12/01/32/608120132.db2.gz BJMGQUQQHNKZEK-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1c(F)cccc1F ZINC000826166770 608122878 /nfs/dbraw/zinc/12/28/78/608122878.db2.gz AAKUVKXBOBMWGW-MRVPVSSYSA-N -1 3 394.765 3.516 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1c(F)cccc1F ZINC000826166770 608122879 /nfs/dbraw/zinc/12/28/79/608122879.db2.gz AAKUVKXBOBMWGW-MRVPVSSYSA-N -1 3 394.765 3.516 20 0 GHADHM Cc1cc(C)cc([C@@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826264690 608124334 /nfs/dbraw/zinc/12/43/34/608124334.db2.gz WVYFRPFBQPSOFP-QGZVFWFLSA-N -1 3 390.365 3.873 20 0 GHADHM Cc1cc(C)cc([C@@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826264690 608124335 /nfs/dbraw/zinc/12/43/35/608124335.db2.gz WVYFRPFBQPSOFP-QGZVFWFLSA-N -1 3 390.365 3.873 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826470289 608130767 /nfs/dbraw/zinc/13/07/67/608130767.db2.gz LDIIVTLEQFUOSM-NSHDSACASA-N -1 3 393.394 3.577 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826470289 608130768 /nfs/dbraw/zinc/13/07/68/608130768.db2.gz LDIIVTLEQFUOSM-NSHDSACASA-N -1 3 393.394 3.577 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824080686 608149645 /nfs/dbraw/zinc/14/96/45/608149645.db2.gz ZNTQLHDAVVUVKN-FZMZJTMJSA-N -1 3 380.290 3.635 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000825788325 608174180 /nfs/dbraw/zinc/17/41/80/608174180.db2.gz OSPUHRTVVFSADL-VMPITWQZSA-N -1 3 399.867 3.603 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000825788325 608174182 /nfs/dbraw/zinc/17/41/82/608174182.db2.gz OSPUHRTVVFSADL-VMPITWQZSA-N -1 3 399.867 3.603 20 0 GHADHM C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824707092 608184626 /nfs/dbraw/zinc/18/46/26/608184626.db2.gz NIUFPAAVHXYPMF-SECBINFHSA-N -1 3 380.301 3.541 20 0 GHADHM C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824707092 608184627 /nfs/dbraw/zinc/18/46/27/608184627.db2.gz NIUFPAAVHXYPMF-SECBINFHSA-N -1 3 380.301 3.541 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000826421031 608208209 /nfs/dbraw/zinc/20/82/09/608208209.db2.gz NZBWEOQMNCNXIE-GXTWGEPZSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000826421031 608208210 /nfs/dbraw/zinc/20/82/10/608208210.db2.gz NZBWEOQMNCNXIE-GXTWGEPZSA-N -1 3 391.928 3.793 20 0 GHADHM O=C1[C@@H](Sc2cccc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000826477349 608208487 /nfs/dbraw/zinc/20/84/87/608208487.db2.gz ANGQHIIHVARLRF-AWEZNQCLSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2cccc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000826477349 608208489 /nfs/dbraw/zinc/20/84/89/608208489.db2.gz ANGQHIIHVARLRF-AWEZNQCLSA-N -1 3 389.843 3.557 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1-n1cccn1 ZINC000824662628 608233526 /nfs/dbraw/zinc/23/35/26/608233526.db2.gz OLPVIDJKSFLRBS-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1-n1cccn1 ZINC000824662628 608233528 /nfs/dbraw/zinc/23/35/28/608233528.db2.gz OLPVIDJKSFLRBS-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(F)(F)c1ccccc1F ZINC000824293195 608237742 /nfs/dbraw/zinc/23/77/42/608237742.db2.gz HUCKFJLZLBTZNK-UHFFFAOYSA-N -1 3 389.381 3.535 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(F)(F)c1ccccc1F ZINC000824293195 608237743 /nfs/dbraw/zinc/23/77/43/608237743.db2.gz HUCKFJLZLBTZNK-UHFFFAOYSA-N -1 3 389.381 3.535 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826189646 608239111 /nfs/dbraw/zinc/23/91/11/608239111.db2.gz AMTVFLGGZXYTHZ-RNODOKPDSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826189646 608239112 /nfs/dbraw/zinc/23/91/12/608239112.db2.gz AMTVFLGGZXYTHZ-RNODOKPDSA-N -1 3 390.447 3.612 20 0 GHADHM Cc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000826318650 608253796 /nfs/dbraw/zinc/25/37/96/608253796.db2.gz TZAHQXFWWBAFJZ-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000826318650 608253798 /nfs/dbraw/zinc/25/37/98/608253798.db2.gz TZAHQXFWWBAFJZ-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3ccccc3C(F)(F)F)CC2)n1 ZINC000826273932 608296500 /nfs/dbraw/zinc/29/65/00/608296500.db2.gz AINMEFGSOLNURT-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3ccccc3C(F)(F)F)CC2)n1 ZINC000826273932 608296502 /nfs/dbraw/zinc/29/65/02/608296502.db2.gz AINMEFGSOLNURT-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826226453 608301374 /nfs/dbraw/zinc/30/13/74/608301374.db2.gz ZSGSQFZSIMHEHP-AWEZNQCLSA-N -1 3 397.504 3.916 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826226453 608301376 /nfs/dbraw/zinc/30/13/76/608301376.db2.gz ZSGSQFZSIMHEHP-AWEZNQCLSA-N -1 3 397.504 3.916 20 0 GHADHM CS[C@H](C)CCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826226056 608305494 /nfs/dbraw/zinc/30/54/94/608305494.db2.gz RATIZSVROMHBBY-CQSZACIVSA-N -1 3 381.505 3.682 20 0 GHADHM CS[C@H](C)CCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826226056 608305496 /nfs/dbraw/zinc/30/54/96/608305496.db2.gz RATIZSVROMHBBY-CQSZACIVSA-N -1 3 381.505 3.682 20 0 GHADHM COc1c(C)cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1C ZINC000826167278 608339183 /nfs/dbraw/zinc/33/91/83/608339183.db2.gz WZNFNRHANSULKH-UHFFFAOYSA-N -1 3 383.477 3.685 20 0 GHADHM COc1c(C)cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1C ZINC000826167278 608339185 /nfs/dbraw/zinc/33/91/85/608339185.db2.gz WZNFNRHANSULKH-UHFFFAOYSA-N -1 3 383.477 3.685 20 0 GHADHM CCN(C(=O)COC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371742 608341938 /nfs/dbraw/zinc/34/19/38/608341938.db2.gz JPRMGBYELJFLQC-TWGQIWQCSA-N -1 3 397.866 3.603 20 0 GHADHM CCN(C(=O)COC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371742 608341939 /nfs/dbraw/zinc/34/19/39/608341939.db2.gz JPRMGBYELJFLQC-TWGQIWQCSA-N -1 3 397.866 3.603 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376555 608347329 /nfs/dbraw/zinc/34/73/29/608347329.db2.gz JNGDUHOPMZSJGW-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376555 608347331 /nfs/dbraw/zinc/34/73/31/608347331.db2.gz JNGDUHOPMZSJGW-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM O=C(NCc1ccsc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826441048 608351203 /nfs/dbraw/zinc/35/12/03/608351203.db2.gz LIQNAZOCISDHEM-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM O=C(NCc1ccsc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826441048 608351205 /nfs/dbraw/zinc/35/12/05/608351205.db2.gz LIQNAZOCISDHEM-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM CC[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825200280 608356625 /nfs/dbraw/zinc/35/66/25/608356625.db2.gz ACKWJLZGYZIQHR-KRWDZBQOSA-N -1 3 376.464 3.618 20 0 GHADHM CC[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825200280 608356626 /nfs/dbraw/zinc/35/66/26/608356626.db2.gz ACKWJLZGYZIQHR-KRWDZBQOSA-N -1 3 376.464 3.618 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C ZINC000824953294 608383894 /nfs/dbraw/zinc/38/38/94/608383894.db2.gz DRFNYFCSKHNKPF-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C ZINC000824953294 608383896 /nfs/dbraw/zinc/38/38/96/608383896.db2.gz DRFNYFCSKHNKPF-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(Br)c(F)c1 ZINC000826170990 608389395 /nfs/dbraw/zinc/38/93/95/608389395.db2.gz XTXXQFPFRGXFGE-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(Br)c(F)c1 ZINC000826170990 608389397 /nfs/dbraw/zinc/38/93/97/608389397.db2.gz XTXXQFPFRGXFGE-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM Fc1c(CSc2nnc(Nc3ccccc3)s2)cccc1-c1nnn[n-]1 ZINC000826371731 608394880 /nfs/dbraw/zinc/39/48/80/608394880.db2.gz RRTHEWFLVNBYLK-UHFFFAOYSA-N -1 3 385.453 3.893 20 0 GHADHM Fc1c(CSc2nnc(Nc3ccccc3)s2)cccc1-c1nn[n-]n1 ZINC000826371731 608394882 /nfs/dbraw/zinc/39/48/82/608394882.db2.gz RRTHEWFLVNBYLK-UHFFFAOYSA-N -1 3 385.453 3.893 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000736101267 608433044 /nfs/dbraw/zinc/43/30/44/608433044.db2.gz NDPDXDDTHIAGRW-AWEZNQCLSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000736101267 608433046 /nfs/dbraw/zinc/43/30/46/608433046.db2.gz NDPDXDDTHIAGRW-AWEZNQCLSA-N -1 3 399.882 3.947 20 0 GHADHM Cc1ccccc1-c1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000826304946 608463932 /nfs/dbraw/zinc/46/39/32/608463932.db2.gz FJZNFJKSCOULQS-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1ccccc1-c1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000826304946 608463934 /nfs/dbraw/zinc/46/39/34/608463934.db2.gz FJZNFJKSCOULQS-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1cc(C)cc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264259 608477372 /nfs/dbraw/zinc/47/73/72/608477372.db2.gz HTZLFSVVJPUIDV-UHFFFAOYSA-N -1 3 387.487 3.732 20 0 GHADHM Cc1cc(C)cc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826264259 608477373 /nfs/dbraw/zinc/47/73/73/608477373.db2.gz HTZLFSVVJPUIDV-UHFFFAOYSA-N -1 3 387.487 3.732 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405215 608479482 /nfs/dbraw/zinc/47/94/82/608479482.db2.gz YUFLDODMLGASJW-FQEVSTJZSA-N -1 3 385.471 3.603 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405215 608479483 /nfs/dbraw/zinc/47/94/83/608479483.db2.gz YUFLDODMLGASJW-FQEVSTJZSA-N -1 3 385.471 3.603 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399927 608481923 /nfs/dbraw/zinc/48/19/23/608481923.db2.gz KJRXPYGXXPHGEI-KMKOMSMNSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399927 608481925 /nfs/dbraw/zinc/48/19/25/608481925.db2.gz KJRXPYGXXPHGEI-KMKOMSMNSA-N -1 3 391.862 3.849 20 0 GHADHM O=C([C@H]1CCCc2sccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399061 608481935 /nfs/dbraw/zinc/48/19/35/608481935.db2.gz LVKMXDUXFHBMFP-SFHVURJKSA-N -1 3 391.500 3.664 20 0 GHADHM O=C([C@H]1CCCc2sccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399061 608481938 /nfs/dbraw/zinc/48/19/38/608481938.db2.gz LVKMXDUXFHBMFP-SFHVURJKSA-N -1 3 391.500 3.664 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000824059192 608482439 /nfs/dbraw/zinc/48/24/39/608482439.db2.gz OLTKDMXRUQODRN-UHFFFAOYSA-N -1 3 391.450 3.599 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000824059192 608482441 /nfs/dbraw/zinc/48/24/41/608482441.db2.gz OLTKDMXRUQODRN-UHFFFAOYSA-N -1 3 391.450 3.599 20 0 GHADHM C[C@@H](NCc1csc(Cc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627546 608483852 /nfs/dbraw/zinc/48/38/52/608483852.db2.gz YJOUKDYSOQBLGR-CQSZACIVSA-N -1 3 376.489 3.765 20 0 GHADHM O=C(c1ccc(Cl)c(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826472940 608487096 /nfs/dbraw/zinc/48/70/96/608487096.db2.gz DCOLLHGYYIOYNN-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1ccc(Cl)c(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472940 608487098 /nfs/dbraw/zinc/48/70/98/608487098.db2.gz DCOLLHGYYIOYNN-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM CC(C)COC[C@@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccco1 ZINC000824272511 608506261 /nfs/dbraw/zinc/50/62/61/608506261.db2.gz ZGDJDMYSNIDENJ-RTBURBONSA-N -1 3 381.480 3.841 20 0 GHADHM CC(C)[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000824200406 608533328 /nfs/dbraw/zinc/53/33/28/608533328.db2.gz QKDAQHAEIFXEDU-OAHLLOKOSA-N -1 3 390.900 3.507 20 0 GHADHM CC(C)(NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(Cl)c1 ZINC000824166852 608534959 /nfs/dbraw/zinc/53/49/59/608534959.db2.gz LKUWTTNINTVKFX-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM CC(C)(NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(Cl)c1 ZINC000824166852 608534960 /nfs/dbraw/zinc/53/49/60/608534960.db2.gz LKUWTTNINTVKFX-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM COc1ccc2nc(Cl)c(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)cc2c1 ZINC000826213830 608539801 /nfs/dbraw/zinc/53/98/01/608539801.db2.gz OGSHHOUKGDFCNQ-UHFFFAOYSA-N -1 3 394.822 3.638 20 0 GHADHM COc1ccc2nc(Cl)c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)cc2c1 ZINC000826213830 608539802 /nfs/dbraw/zinc/53/98/02/608539802.db2.gz OGSHHOUKGDFCNQ-UHFFFAOYSA-N -1 3 394.822 3.638 20 0 GHADHM COc1ccc2nc(Cl)c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2c1 ZINC000826213536 608546435 /nfs/dbraw/zinc/54/64/35/608546435.db2.gz AIMBLYIOXUIDPO-UHFFFAOYSA-N -1 3 394.822 3.638 20 0 GHADHM COc1ccc2nc(Cl)c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2c1 ZINC000826213536 608546437 /nfs/dbraw/zinc/54/64/37/608546437.db2.gz AIMBLYIOXUIDPO-UHFFFAOYSA-N -1 3 394.822 3.638 20 0 GHADHM O=C(Nc1cnc(-c2ccccc2)s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826459162 608585272 /nfs/dbraw/zinc/58/52/72/608585272.db2.gz XRNOVHDLSLZDFX-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cnc(-c2ccccc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826459162 608585275 /nfs/dbraw/zinc/58/52/75/608585275.db2.gz XRNOVHDLSLZDFX-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000825787299 608660378 /nfs/dbraw/zinc/66/03/78/608660378.db2.gz BBQMNFCXGHPOGJ-KRWDZBQOSA-N -1 3 379.493 3.635 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000825787299 608660381 /nfs/dbraw/zinc/66/03/81/608660381.db2.gz BBQMNFCXGHPOGJ-KRWDZBQOSA-N -1 3 379.493 3.635 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000824371392 608668214 /nfs/dbraw/zinc/66/82/14/608668214.db2.gz DBIBKQDSHPLHEJ-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000824371392 608668216 /nfs/dbraw/zinc/66/82/16/608668216.db2.gz DBIBKQDSHPLHEJ-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1cccs1 ZINC000825796412 608668924 /nfs/dbraw/zinc/66/89/24/608668924.db2.gz FOBXPIJTLZIECX-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1cccs1 ZINC000825796412 608668926 /nfs/dbraw/zinc/66/89/26/608668926.db2.gz FOBXPIJTLZIECX-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM Cc1cccc(CN(Cc2ccc(-c3nnn[n-]3)s2)Cc2ccccn2)c1 ZINC000826298431 608678303 /nfs/dbraw/zinc/67/83/03/608678303.db2.gz RWTLROIQWDJHSQ-UHFFFAOYSA-N -1 3 376.489 3.834 20 0 GHADHM Cc1cccc(CN(Cc2ccc(-c3nn[n-]n3)s2)Cc2ccccn2)c1 ZINC000826298431 608678305 /nfs/dbraw/zinc/67/83/05/608678305.db2.gz RWTLROIQWDJHSQ-UHFFFAOYSA-N -1 3 376.489 3.834 20 0 GHADHM FC(F)(F)[C@H]1CC(Nc2cnccc2-c2nnn[n-]2)C[C@H](C(F)(F)F)C1 ZINC000826367128 608772034 /nfs/dbraw/zinc/77/20/34/608772034.db2.gz NCJNXIMDJDFHIR-HTQZYQBOSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)[C@H]1CC(Nc2cnccc2-c2nn[n-]n2)C[C@H](C(F)(F)F)C1 ZINC000826367128 608772036 /nfs/dbraw/zinc/77/20/36/608772036.db2.gz NCJNXIMDJDFHIR-HTQZYQBOSA-N -1 3 380.296 3.583 20 0 GHADHM COc1cc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC000826177737 608775082 /nfs/dbraw/zinc/77/50/82/608775082.db2.gz SMHXJKXLANFFLZ-CQSZACIVSA-N -1 3 382.468 3.868 20 0 GHADHM COc1cc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC000826177737 608775085 /nfs/dbraw/zinc/77/50/85/608775085.db2.gz SMHXJKXLANFFLZ-CQSZACIVSA-N -1 3 382.468 3.868 20 0 GHADHM CC(C)(C)c1ccc(N2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000824137201 608776042 /nfs/dbraw/zinc/77/60/42/608776042.db2.gz YKRYROGDTNNLMM-UHFFFAOYSA-N -1 3 377.496 3.640 20 0 GHADHM CC(C)(C)c1ccc(N2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000824137201 608776045 /nfs/dbraw/zinc/77/60/45/608776045.db2.gz YKRYROGDTNNLMM-UHFFFAOYSA-N -1 3 377.496 3.640 20 0 GHADHM Fc1ccc([C@@H]2CCCCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000826373876 608847911 /nfs/dbraw/zinc/84/79/11/608847911.db2.gz CLBPPZVHKMKWAY-SFHVURJKSA-N -1 3 395.417 3.520 20 0 GHADHM Fc1ccc([C@@H]2CCCCN2Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000826373876 608847916 /nfs/dbraw/zinc/84/79/16/608847916.db2.gz CLBPPZVHKMKWAY-SFHVURJKSA-N -1 3 395.417 3.520 20 0 GHADHM c1cc(-c2ccccc2)oc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826519262 608851874 /nfs/dbraw/zinc/85/18/74/608851874.db2.gz QRRBSCDKSVCRMT-OAQYLSRUSA-N -1 3 387.443 3.700 20 0 GHADHM c1nc(C2CCCC2)sc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826513171 608852116 /nfs/dbraw/zinc/85/21/16/608852116.db2.gz CDCDQOGHVOGXSI-SFHVURJKSA-N -1 3 396.520 3.554 20 0 GHADHM c1nc(C2CCCC2)sc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826513171 608852117 /nfs/dbraw/zinc/85/21/17/608852117.db2.gz CDCDQOGHVOGXSI-SFHVURJKSA-N -1 3 396.520 3.554 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826352674 608868234 /nfs/dbraw/zinc/86/82/34/608868234.db2.gz JWLGEXGISKQWEP-QGZVFWFLSA-N -1 3 385.855 3.690 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000825971873 608887221 /nfs/dbraw/zinc/88/72/21/608887221.db2.gz PPPGLTUKUGRQHJ-UHFFFAOYSA-N -1 3 381.867 3.501 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000825971873 608887223 /nfs/dbraw/zinc/88/72/23/608887223.db2.gz PPPGLTUKUGRQHJ-UHFFFAOYSA-N -1 3 381.867 3.501 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826180136 609143636 /nfs/dbraw/zinc/14/36/36/609143636.db2.gz TWAWOSLDKHGCRR-WDEREUQCSA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826180136 609143635 /nfs/dbraw/zinc/14/36/35/609143635.db2.gz TWAWOSLDKHGCRR-WDEREUQCSA-N -1 3 389.406 3.574 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824909423 609151281 /nfs/dbraw/zinc/15/12/81/609151281.db2.gz TWHOZZZLGFSEHE-RKDXNWHRSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824909423 609151284 /nfs/dbraw/zinc/15/12/84/609151284.db2.gz TWHOZZZLGFSEHE-RKDXNWHRSA-N -1 3 388.781 3.715 20 0 GHADHM Cc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826257561 609163082 /nfs/dbraw/zinc/16/30/82/609163082.db2.gz HHYICLIYGJETNW-HNNXBMFYSA-N -1 3 393.495 3.645 20 0 GHADHM Cc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826257561 609163084 /nfs/dbraw/zinc/16/30/84/609163084.db2.gz HHYICLIYGJETNW-HNNXBMFYSA-N -1 3 393.495 3.645 20 0 GHADHM CSc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826230355 609165536 /nfs/dbraw/zinc/16/55/36/609165536.db2.gz OZVFPJCPMCDGEM-UHFFFAOYSA-N -1 3 394.460 3.841 20 0 GHADHM CSc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826230355 609165537 /nfs/dbraw/zinc/16/55/37/609165537.db2.gz OZVFPJCPMCDGEM-UHFFFAOYSA-N -1 3 394.460 3.841 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(Cl)ccn2)c1-c1nnn[n-]1 ZINC000826234442 609168707 /nfs/dbraw/zinc/16/87/07/609168707.db2.gz WYJCQJRYVQIWEK-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(Cl)ccn2)c1-c1nn[n-]n1 ZINC000826234442 609168708 /nfs/dbraw/zinc/16/87/08/609168708.db2.gz WYJCQJRYVQIWEK-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826350533 609172311 /nfs/dbraw/zinc/17/23/11/609172311.db2.gz AGIWABVBUYKWBT-HNNXBMFYSA-N -1 3 384.875 3.716 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826350533 609172313 /nfs/dbraw/zinc/17/23/13/609172313.db2.gz AGIWABVBUYKWBT-HNNXBMFYSA-N -1 3 384.875 3.716 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2F)o1 ZINC000825481264 609178373 /nfs/dbraw/zinc/17/83/73/609178373.db2.gz VFCFEXZWRPFRRJ-UHFFFAOYSA-N -1 3 379.399 3.705 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000825481336 609179381 /nfs/dbraw/zinc/17/93/81/609179381.db2.gz WZJUVQOWLSAONX-UHFFFAOYSA-N -1 3 396.842 3.614 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000825481262 609179528 /nfs/dbraw/zinc/17/95/28/609179528.db2.gz VDIZGDBSPGTSJI-UHFFFAOYSA-N -1 3 378.358 3.809 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385704 609233402 /nfs/dbraw/zinc/23/34/02/609233402.db2.gz ZMETVIANBDVSTG-JTQLQIEISA-N -1 3 387.802 3.507 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385704 609233404 /nfs/dbraw/zinc/23/34/04/609233404.db2.gz ZMETVIANBDVSTG-JTQLQIEISA-N -1 3 387.802 3.507 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662283 609237112 /nfs/dbraw/zinc/23/71/12/609237112.db2.gz HMUVEUHBRKQMQV-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662283 609237114 /nfs/dbraw/zinc/23/71/14/609237114.db2.gz HMUVEUHBRKQMQV-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM Fc1ccccc1-n1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000826378028 609253810 /nfs/dbraw/zinc/25/38/10/609253810.db2.gz RJPSLEVTKIJYGV-GOSISDBHSA-N -1 3 375.411 3.681 20 0 GHADHM Fc1ccccc1-n1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000826378028 609253812 /nfs/dbraw/zinc/25/38/12/609253812.db2.gz RJPSLEVTKIJYGV-GOSISDBHSA-N -1 3 375.411 3.681 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1Nc1ccccc1 ZINC000826413076 609260660 /nfs/dbraw/zinc/26/06/60/609260660.db2.gz PSLCLWQXPDFFRV-UHFFFAOYSA-N -1 3 385.431 3.661 20 0 GHADHM COc1cc(O)cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000826181259 609262687 /nfs/dbraw/zinc/26/26/87/609262687.db2.gz RGWWKQNTEYZGEE-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM COc1cc(O)cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000826181259 609262688 /nfs/dbraw/zinc/26/26/88/609262688.db2.gz RGWWKQNTEYZGEE-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826472917 609267836 /nfs/dbraw/zinc/26/78/36/609267836.db2.gz CFPKZOKIAXKMRG-XAVKZTDYSA-N -1 3 379.851 3.838 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826472917 609267837 /nfs/dbraw/zinc/26/78/37/609267837.db2.gz CFPKZOKIAXKMRG-XAVKZTDYSA-N -1 3 379.851 3.838 20 0 GHADHM C[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662201 609279363 /nfs/dbraw/zinc/27/93/63/609279363.db2.gz FSCWCQDSNVFBPE-CYBMUJFWSA-N -1 3 379.855 3.938 20 0 GHADHM C[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662201 609279365 /nfs/dbraw/zinc/27/93/65/609279365.db2.gz FSCWCQDSNVFBPE-CYBMUJFWSA-N -1 3 379.855 3.938 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000826234836 609282480 /nfs/dbraw/zinc/28/24/80/609282480.db2.gz PXSSEDKNIDKZKM-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000826234836 609282482 /nfs/dbraw/zinc/28/24/82/609282482.db2.gz PXSSEDKNIDKZKM-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000826473073 609290978 /nfs/dbraw/zinc/29/09/78/609290978.db2.gz JOEXDWNZZPGOET-HNNXBMFYSA-N -1 3 385.830 3.507 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000826473073 609290979 /nfs/dbraw/zinc/29/09/79/609290979.db2.gz JOEXDWNZZPGOET-HNNXBMFYSA-N -1 3 385.830 3.507 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825946460 609298195 /nfs/dbraw/zinc/29/81/95/609298195.db2.gz ZCCXSGAAPFWQTN-UHFFFAOYSA-N -1 3 391.862 3.988 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825946460 609298197 /nfs/dbraw/zinc/29/81/97/609298197.db2.gz ZCCXSGAAPFWQTN-UHFFFAOYSA-N -1 3 391.862 3.988 20 0 GHADHM Cc1nnc(SCc2cccc(OCC(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000826337474 609307625 /nfs/dbraw/zinc/30/76/25/609307625.db2.gz PQAVHSHULSVVFL-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1nnc(SCc2cccc(OCC(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000826337474 609307627 /nfs/dbraw/zinc/30/76/27/609307627.db2.gz PQAVHSHULSVVFL-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000825553044 609312451 /nfs/dbraw/zinc/31/24/51/609312451.db2.gz JLCNRIGADIHHHB-NSHDSACASA-N -1 3 393.407 3.749 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000825553044 609312453 /nfs/dbraw/zinc/31/24/53/609312453.db2.gz JLCNRIGADIHHHB-NSHDSACASA-N -1 3 393.407 3.749 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COC(C)(C)C ZINC000826268601 609313038 /nfs/dbraw/zinc/31/30/38/609313038.db2.gz FEVBIDXVOZMCBJ-UHFFFAOYSA-N -1 3 397.454 3.663 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COC(C)(C)C ZINC000826268601 609313039 /nfs/dbraw/zinc/31/30/39/609313039.db2.gz FEVBIDXVOZMCBJ-UHFFFAOYSA-N -1 3 397.454 3.663 20 0 GHADHM O=C(Nc1cnc(C2CC2)nc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826458711 609316741 /nfs/dbraw/zinc/31/67/41/609316741.db2.gz CCOCETKCEDINMW-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1cnc(C2CC2)nc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826458711 609316744 /nfs/dbraw/zinc/31/67/44/609316744.db2.gz CCOCETKCEDINMW-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826227766 609324710 /nfs/dbraw/zinc/32/47/10/609324710.db2.gz XKZWEIUVTOGJTG-KGLIPLIRSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826227766 609324712 /nfs/dbraw/zinc/32/47/12/609324712.db2.gz XKZWEIUVTOGJTG-KGLIPLIRSA-N -1 3 395.488 3.673 20 0 GHADHM CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825224976 609328285 /nfs/dbraw/zinc/32/82/85/609328285.db2.gz IPKYKQIAJVTLQE-ZDUSSCGKSA-N -1 3 382.443 3.595 20 0 GHADHM Cc1cnc(CSCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826318572 609329451 /nfs/dbraw/zinc/32/94/51/609329451.db2.gz PPRNSMJLWVMPKE-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM Cc1cnc(CSCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826318572 609329453 /nfs/dbraw/zinc/32/94/53/609329453.db2.gz PPRNSMJLWVMPKE-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM CC(C)Oc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824329899 609336703 /nfs/dbraw/zinc/33/67/03/609336703.db2.gz XNENXHRRKVTWQF-UHFFFAOYSA-N -1 3 389.463 3.667 20 0 GHADHM CC(C)Oc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824329899 609336705 /nfs/dbraw/zinc/33/67/05/609336705.db2.gz XNENXHRRKVTWQF-UHFFFAOYSA-N -1 3 389.463 3.667 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824655913 609349007 /nfs/dbraw/zinc/34/90/07/609349007.db2.gz GTMQACQZBHXSCR-MRFFXTKBSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824655913 609349010 /nfs/dbraw/zinc/34/90/10/609349010.db2.gz GTMQACQZBHXSCR-MRFFXTKBSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824992594 609349014 /nfs/dbraw/zinc/34/90/14/609349014.db2.gz MZOOGULOHRSNLM-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824992594 609349017 /nfs/dbraw/zinc/34/90/17/609349017.db2.gz MZOOGULOHRSNLM-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826286059 609356081 /nfs/dbraw/zinc/35/60/81/609356081.db2.gz RDDGNAJNZMEUDQ-XPGWFJOJSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826286059 609356084 /nfs/dbraw/zinc/35/60/84/609356084.db2.gz RDDGNAJNZMEUDQ-XPGWFJOJSA-N -1 3 392.459 3.947 20 0 GHADHM O=C(Nc1cc(F)ccc1O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826451556 609393390 /nfs/dbraw/zinc/39/33/90/609393390.db2.gz LQCQCAOVFYLXHL-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM O=C(Nc1cc(F)ccc1O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826451556 609393392 /nfs/dbraw/zinc/39/33/92/609393392.db2.gz LQCQCAOVFYLXHL-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000824019689 609420029 /nfs/dbraw/zinc/42/00/29/609420029.db2.gz LFJLSGMGRPPFHN-UHFFFAOYSA-N -1 3 386.459 3.935 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000824019689 609420031 /nfs/dbraw/zinc/42/00/31/609420031.db2.gz LFJLSGMGRPPFHN-UHFFFAOYSA-N -1 3 386.459 3.935 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccs1 ZINC000824753448 609421164 /nfs/dbraw/zinc/42/11/64/609421164.db2.gz DCRKSPWANOOQEP-MLGOLLRUSA-N -1 3 385.518 3.918 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccs1 ZINC000824753448 609421165 /nfs/dbraw/zinc/42/11/65/609421165.db2.gz DCRKSPWANOOQEP-MLGOLLRUSA-N -1 3 385.518 3.918 20 0 GHADHM CC[C@@H](C)NC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825068453 609443498 /nfs/dbraw/zinc/44/34/98/609443498.db2.gz RWJYYCBIHQBUDW-ZIAGYGMSSA-N -1 3 380.521 3.857 20 0 GHADHM CC[C@@H](C)NC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825068453 609443501 /nfs/dbraw/zinc/44/35/01/609443501.db2.gz RWJYYCBIHQBUDW-ZIAGYGMSSA-N -1 3 380.521 3.857 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cnc2c(c1)CCCC2 ZINC000826511896 609444956 /nfs/dbraw/zinc/44/49/56/609444956.db2.gz ISDFRMNUSYMXEF-UHFFFAOYSA-N -1 3 385.884 3.603 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cnc2c(c1)CCCC2 ZINC000826511896 609444959 /nfs/dbraw/zinc/44/49/59/609444959.db2.gz ISDFRMNUSYMXEF-UHFFFAOYSA-N -1 3 385.884 3.603 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455724 609455498 /nfs/dbraw/zinc/45/54/98/609455498.db2.gz BBPUQEYLIWPPSX-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455724 609455500 /nfs/dbraw/zinc/45/55/00/609455500.db2.gz BBPUQEYLIWPPSX-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826454908 609455759 /nfs/dbraw/zinc/45/57/59/609455759.db2.gz QESOPANQEPCGCV-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826454908 609455760 /nfs/dbraw/zinc/45/57/60/609455760.db2.gz QESOPANQEPCGCV-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCC1(Cc2ccccc2)CCCC1 ZINC000826408735 609458059 /nfs/dbraw/zinc/45/80/59/609458059.db2.gz SGIKQVPNYFUEGK-UHFFFAOYSA-N -1 3 389.503 3.719 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCC1(Cc2ccccc2)CCCC1 ZINC000826408735 609458061 /nfs/dbraw/zinc/45/80/61/609458061.db2.gz SGIKQVPNYFUEGK-UHFFFAOYSA-N -1 3 389.503 3.719 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccc(C)cc2)s1 ZINC000826186650 609483492 /nfs/dbraw/zinc/48/34/92/609483492.db2.gz FNSGIYWNSIWMCI-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C(F)(F)F)cc1 ZINC000826162334 609483592 /nfs/dbraw/zinc/48/35/92/609483592.db2.gz XHLBRPOWIJHUTR-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C(F)(F)F)cc1 ZINC000826162334 609483594 /nfs/dbraw/zinc/48/35/94/609483594.db2.gz XHLBRPOWIJHUTR-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc2ccccc21 ZINC000826162677 609484586 /nfs/dbraw/zinc/48/45/86/609484586.db2.gz NJWRXFDUAFQGDF-UHFFFAOYSA-N -1 3 375.432 3.657 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc2ccccc21 ZINC000826162677 609484588 /nfs/dbraw/zinc/48/45/88/609484588.db2.gz NJWRXFDUAFQGDF-UHFFFAOYSA-N -1 3 375.432 3.657 20 0 GHADHM CC(C)OCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824309149 609487160 /nfs/dbraw/zinc/48/71/60/609487160.db2.gz GSYBEBVVTMIKSD-UHFFFAOYSA-N -1 3 395.463 3.589 20 0 GHADHM CC(C)OCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824309149 609487161 /nfs/dbraw/zinc/48/71/61/609487161.db2.gz GSYBEBVVTMIKSD-UHFFFAOYSA-N -1 3 395.463 3.589 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000825552943 609487546 /nfs/dbraw/zinc/48/75/46/609487546.db2.gz GHRNWBOAILFZTK-HOCLYGCPSA-N -1 3 378.436 3.651 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000825552943 609487549 /nfs/dbraw/zinc/48/75/49/609487549.db2.gz GHRNWBOAILFZTK-HOCLYGCPSA-N -1 3 378.436 3.651 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@H]2C[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000825552945 609487896 /nfs/dbraw/zinc/48/78/96/609487896.db2.gz GHRNWBOAILFZTK-ZBFHGGJFSA-N -1 3 378.436 3.651 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@H]2C[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000825552945 609487898 /nfs/dbraw/zinc/48/78/98/609487898.db2.gz GHRNWBOAILFZTK-ZBFHGGJFSA-N -1 3 378.436 3.651 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc3ncccc3c2)cc1-c1nnn[n-]1 ZINC000825553028 609488258 /nfs/dbraw/zinc/48/82/58/609488258.db2.gz IKSUQSRGYDXNKE-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc3ncccc3c2)cc1-c1nn[n-]n1 ZINC000825553028 609488260 /nfs/dbraw/zinc/48/82/60/609488260.db2.gz IKSUQSRGYDXNKE-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826456137 609493351 /nfs/dbraw/zinc/49/33/51/609493351.db2.gz RJAXQDBMULQCSH-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826456137 609493355 /nfs/dbraw/zinc/49/33/55/609493355.db2.gz RJAXQDBMULQCSH-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(OCc4ccccc4-c4nnn[n-]4)c23)C1 ZINC000824966772 609497147 /nfs/dbraw/zinc/49/71/47/609497147.db2.gz DQIWYPIHBFZJCJ-NSHDSACASA-N -1 3 378.461 3.575 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(OCc4ccccc4-c4nn[n-]n4)c23)C1 ZINC000824966772 609497148 /nfs/dbraw/zinc/49/71/48/609497148.db2.gz DQIWYPIHBFZJCJ-NSHDSACASA-N -1 3 378.461 3.575 20 0 GHADHM CO[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1 ZINC000826166349 609505204 /nfs/dbraw/zinc/50/52/04/609505204.db2.gz GYKCRNMQACVETD-HXUWFJFHSA-N -1 3 386.411 3.827 20 0 GHADHM CO[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1 ZINC000826166349 609505205 /nfs/dbraw/zinc/50/52/05/609505205.db2.gz GYKCRNMQACVETD-HXUWFJFHSA-N -1 3 386.411 3.827 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Oc2ccccc2)o1 ZINC000826483299 609505523 /nfs/dbraw/zinc/50/55/23/609505523.db2.gz IWTQMTMGMKCKIX-ATVHPVEESA-N -1 3 399.366 3.597 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Oc2ccccc2)o1 ZINC000826483299 609505524 /nfs/dbraw/zinc/50/55/24/609505524.db2.gz IWTQMTMGMKCKIX-ATVHPVEESA-N -1 3 399.366 3.597 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)CCO1 ZINC000825255690 609508718 /nfs/dbraw/zinc/50/87/18/609508718.db2.gz YNKXWGUGLCACMP-JHJVBQTASA-N -1 3 389.525 3.587 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)CCO1 ZINC000825255690 609508719 /nfs/dbraw/zinc/50/87/19/609508719.db2.gz YNKXWGUGLCACMP-JHJVBQTASA-N -1 3 389.525 3.587 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000825793075 609510258 /nfs/dbraw/zinc/51/02/58/609510258.db2.gz MDGLWMBLOUMHIS-UHFFFAOYSA-N -1 3 399.414 3.749 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000825793075 609510260 /nfs/dbraw/zinc/51/02/60/609510260.db2.gz MDGLWMBLOUMHIS-UHFFFAOYSA-N -1 3 399.414 3.749 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825182650 609525134 /nfs/dbraw/zinc/52/51/34/609525134.db2.gz LKVGAWMDKVPCFI-QZTJIDSGSA-N -1 3 391.475 3.605 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825182650 609525135 /nfs/dbraw/zinc/52/51/35/609525135.db2.gz LKVGAWMDKVPCFI-QZTJIDSGSA-N -1 3 391.475 3.605 20 0 GHADHM Cc1cnc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c(C)c1 ZINC000826317428 609533434 /nfs/dbraw/zinc/53/34/34/609533434.db2.gz CQNIQDVOAAEHHP-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cnc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c(C)c1 ZINC000826317428 609533436 /nfs/dbraw/zinc/53/34/36/609533436.db2.gz CQNIQDVOAAEHHP-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(-n3ccnc3)c2)c1-c1nnn[n-]1 ZINC000826238660 609563872 /nfs/dbraw/zinc/56/38/72/609563872.db2.gz MDRDISDHKWJPJQ-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(-n3ccnc3)c2)c1-c1nn[n-]n1 ZINC000826238660 609563874 /nfs/dbraw/zinc/56/38/74/609563874.db2.gz MDRDISDHKWJPJQ-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2ccccc2Br)c1-c1nnn[n-]1 ZINC000826311272 609574119 /nfs/dbraw/zinc/57/41/19/609574119.db2.gz ZHXMULSCVZHRDX-AWEZNQCLSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2ccccc2Br)c1-c1nn[n-]n1 ZINC000826311272 609574121 /nfs/dbraw/zinc/57/41/21/609574121.db2.gz ZHXMULSCVZHRDX-AWEZNQCLSA-N -1 3 385.269 3.674 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826429226 609609768 /nfs/dbraw/zinc/60/97/68/609609768.db2.gz XGMJSOIWAMCAAX-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826429226 609609771 /nfs/dbraw/zinc/60/97/71/609609771.db2.gz XGMJSOIWAMCAAX-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc(-c2ccco2)s1 ZINC000826465361 609615157 /nfs/dbraw/zinc/61/51/57/609615157.db2.gz JRNRTGCNZKSJLG-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc(-c2ccco2)s1 ZINC000826465361 609615158 /nfs/dbraw/zinc/61/51/58/609615158.db2.gz JRNRTGCNZKSJLG-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1Cl ZINC000826464783 609623106 /nfs/dbraw/zinc/62/31/06/609623106.db2.gz MHMAHPOHYFSORU-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1Cl ZINC000826464783 609623107 /nfs/dbraw/zinc/62/31/07/609623107.db2.gz MHMAHPOHYFSORU-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001165052230 721993286 /nfs/dbraw/zinc/99/32/86/721993286.db2.gz VFSZWVWNYZWMMK-SECBINFHSA-N -1 3 379.860 3.522 20 0 GHADHM COc1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc(OC)c1[O-] ZINC000186744816 837399371 /nfs/dbraw/zinc/39/93/71/837399371.db2.gz JJYXEORNRBZLLU-UHFFFAOYSA-N -1 3 392.455 3.690 20 0 GHADHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000431779256 837477344 /nfs/dbraw/zinc/47/73/44/837477344.db2.gz RTZCUOAAMYUPRP-LBPRGKRZSA-N -1 3 381.259 3.716 20 0 GHADHM O=C([N-][C@H](c1ccncc1)C1CC1)C(F)(F)c1ncccc1Br ZINC000890900443 837484473 /nfs/dbraw/zinc/48/44/73/837484473.db2.gz HJYJKKJDRIXLCQ-ZDUSSCGKSA-N -1 3 382.208 3.598 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)nc2)n1 ZINC000376480974 837515620 /nfs/dbraw/zinc/51/56/20/837515620.db2.gz TZKIEMQOSYEQDY-DYVFJYSZSA-N -1 3 379.291 3.827 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1nc(Cc2ccccc2)no1 ZINC000176739929 837520900 /nfs/dbraw/zinc/52/09/00/837520900.db2.gz CRARANQULXJIPY-OAHLLOKOSA-N -1 3 393.468 3.853 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2cc(F)c([O-])c(F)c2)c2cccs2)CC1 ZINC000176951033 837614660 /nfs/dbraw/zinc/61/46/60/837614660.db2.gz FCBMFVRTCFLSML-MRXNPFEDSA-N -1 3 380.460 3.935 20 0 GHADHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000613349128 837698040 /nfs/dbraw/zinc/69/80/40/837698040.db2.gz BKPXHJQAIAJLDV-MRXNPFEDSA-N -1 3 399.871 3.698 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(CSCC)on1 ZINC000274523126 834376403 /nfs/dbraw/zinc/37/64/03/834376403.db2.gz PJXHEWFUDGZUKH-UHFFFAOYSA-N -1 3 396.490 3.929 20 0 GHADHM CC[C@@](C)(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1OCCO1 ZINC000748063002 834635846 /nfs/dbraw/zinc/63/58/46/834635846.db2.gz PMKWHQKFNRMHEV-INIZCTEOSA-N -1 3 396.336 3.841 20 0 GHADHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510048842 834657731 /nfs/dbraw/zinc/65/77/31/834657731.db2.gz IOWCRXFRWMAVBY-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM O=S(=O)([N-]Cc1cn2cc(Cl)ccc2n1)c1cccc(Cl)c1Cl ZINC000044790369 834663998 /nfs/dbraw/zinc/66/39/98/834663998.db2.gz KIMFHZOGWUOLQK-UHFFFAOYSA-N -1 3 390.679 3.773 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000611870666 834681758 /nfs/dbraw/zinc/68/17/58/834681758.db2.gz PLYMFKMPPFSELC-INIZCTEOSA-N -1 3 391.349 3.501 20 0 GHADHM Cc1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cccc1C(=O)N1CCCC1 ZINC000094075640 834722424 /nfs/dbraw/zinc/72/24/24/834722424.db2.gz NNJGZQJDQHKXFD-UHFFFAOYSA-N -1 3 394.471 3.902 20 0 GHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177177794 837807820 /nfs/dbraw/zinc/80/78/20/837807820.db2.gz UBSIXSWCNUEMQK-INIZCTEOSA-N -1 3 377.444 3.566 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000177171635 837816583 /nfs/dbraw/zinc/81/65/83/837816583.db2.gz IKPYYECANTWUMZ-CQSZACIVSA-N -1 3 376.859 3.921 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000683172416 834914983 /nfs/dbraw/zinc/91/49/83/834914983.db2.gz ZKKXTWGPLJGFHI-QGZVFWFLSA-N -1 3 383.366 3.942 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511282595 834982423 /nfs/dbraw/zinc/98/24/23/834982423.db2.gz SXJYMYOEDUYLHM-UHFFFAOYSA-N -1 3 381.233 3.628 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000685447779 835020124 /nfs/dbraw/zinc/02/01/24/835020124.db2.gz SNJFDNUAENURLQ-UHFFFAOYSA-N -1 3 375.368 3.827 20 0 GHADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)on1 ZINC000683196469 835048437 /nfs/dbraw/zinc/04/84/37/835048437.db2.gz IKHJZBSMKNSQBW-UHFFFAOYSA-N -1 3 393.690 3.692 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000536140910 835112000 /nfs/dbraw/zinc/11/20/00/835112000.db2.gz HWZOGPXFZBGUQM-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1cccc(C(=O)[N-]NC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000066122345 835171692 /nfs/dbraw/zinc/17/16/92/835171692.db2.gz XMOOSDVMVSBQSC-JTQLQIEISA-N -1 3 383.304 3.567 20 0 GHADHM CC(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1cccnc1 ZINC000151354406 835394510 /nfs/dbraw/zinc/39/45/10/835394510.db2.gz AIJQUJYMEWTTHF-HNNXBMFYSA-N -1 3 392.297 3.789 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431627892 835674258 /nfs/dbraw/zinc/67/42/58/835674258.db2.gz KVLWWQQRGCXMNH-OAHLLOKOSA-N -1 3 375.824 3.771 20 0 GHADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)C(=O)c1cccc(F)c1 ZINC000151631467 835677090 /nfs/dbraw/zinc/67/70/90/835677090.db2.gz KBCNYLKECQZNCH-LLVKDONJSA-N -1 3 394.240 3.819 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000472316555 835778471 /nfs/dbraw/zinc/77/84/71/835778471.db2.gz IOHVTOZMMMRKFW-UHFFFAOYSA-N -1 3 396.372 3.776 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)sc1Cl ZINC000188079914 835820068 /nfs/dbraw/zinc/82/00/68/835820068.db2.gz NWEJZPDJWQJFGL-UHFFFAOYSA-N -1 3 387.914 3.718 20 0 GHADHM CC1(C)CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000137275960 835823113 /nfs/dbraw/zinc/82/31/13/835823113.db2.gz CIQHBSQTSOHRQD-QGZVFWFLSA-N -1 3 393.484 3.653 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@H](c2ccccc2)C1 ZINC000429969794 844121840 /nfs/dbraw/zinc/12/18/40/844121840.db2.gz IRKBDQWJWUZDOZ-AWEZNQCLSA-N -1 3 385.265 3.540 20 0 GHADHM COc1ccc(COCc2cccc(NC(=O)NCc3ncccc3[O-])c2)cc1 ZINC000471240455 836207247 /nfs/dbraw/zinc/20/72/47/836207247.db2.gz KCOZMCZNYGERQK-UHFFFAOYSA-N -1 3 393.443 3.834 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccsc1 ZINC000045809818 836241192 /nfs/dbraw/zinc/24/11/92/836241192.db2.gz DXSHWOOFOLITAX-LBPRGKRZSA-N -1 3 379.334 3.636 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000471245823 836325976 /nfs/dbraw/zinc/32/59/76/836325976.db2.gz JKQPUGBLOAOMHZ-UHFFFAOYSA-N -1 3 386.795 3.608 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)c1 ZINC001211636250 836587736 /nfs/dbraw/zinc/58/77/36/836587736.db2.gz VNIOSZYMAWUQLO-GFCCVEGCSA-N -1 3 397.493 3.682 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000174985453 836630998 /nfs/dbraw/zinc/63/09/98/836630998.db2.gz WUXNLOAUNURYEY-KRWDZBQOSA-N -1 3 381.350 3.633 20 0 GHADHM Cc1nc(CCCNCc2ccc(F)cc2Br)sc1C(=O)[O-] ZINC000276969677 844191926 /nfs/dbraw/zinc/19/19/26/844191926.db2.gz GVYOBRBZJGAHSW-UHFFFAOYSA-N -1 3 387.274 3.774 20 0 GHADHM CN1C(=O)CC[C@H]1CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000612756241 836721733 /nfs/dbraw/zinc/72/17/33/836721733.db2.gz RLLFLYKMAWDTMK-ZDUSSCGKSA-N -1 3 381.457 3.618 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000176186569 844211800 /nfs/dbraw/zinc/21/18/00/844211800.db2.gz PYJVUOFQJORZQY-UHFFFAOYSA-N -1 3 390.262 3.881 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](CC)C3)nc(=O)c2c1C ZINC000042145461 837031328 /nfs/dbraw/zinc/03/13/28/837031328.db2.gz MHXIOUIPAQXMLW-STQMWFEESA-N -1 3 377.510 3.653 20 0 GHADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000187743210 844231074 /nfs/dbraw/zinc/23/10/74/844231074.db2.gz XAQIMMKNEMETLC-UHFFFAOYSA-N -1 3 387.358 3.673 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000186158446 837070356 /nfs/dbraw/zinc/07/03/56/837070356.db2.gz YWYCSCIXBPZZHE-LBPRGKRZSA-N -1 3 385.835 3.986 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000052400232 844249994 /nfs/dbraw/zinc/24/99/94/844249994.db2.gz CZANWUUETLVZNG-IBGZPJMESA-N -1 3 392.846 3.847 20 0 GHADHM O=C(Nc1nnc2ccccn21)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430449113 837854901 /nfs/dbraw/zinc/85/49/01/837854901.db2.gz NDHXDNQDLHAVER-UHFFFAOYSA-N -1 3 397.394 3.615 20 0 GHADHM COc1cc(CCO)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000647622030 837933587 /nfs/dbraw/zinc/93/35/87/837933587.db2.gz RUICHPIHADJJCW-UHFFFAOYSA-N -1 3 377.440 3.779 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000579951304 837992156 /nfs/dbraw/zinc/99/21/56/837992156.db2.gz BZCRHKNHEQTWIJ-AHRSYUTCSA-N -1 3 386.536 3.690 20 0 GHADHM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000377862674 838073111 /nfs/dbraw/zinc/07/31/11/838073111.db2.gz ZMUARAWTJLNNOV-AWEZNQCLSA-N -1 3 381.863 3.580 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](OCC4CC4)C3)cc2)cc(=O)[n-]1 ZINC000547975214 838156195 /nfs/dbraw/zinc/15/61/95/838156195.db2.gz QXUKAUMEEBLIEU-GOSISDBHSA-N -1 3 382.464 3.581 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1scc(C)c1I ZINC000188555149 838222512 /nfs/dbraw/zinc/22/25/12/838222512.db2.gz DDMAGHZSLUQBRJ-UHFFFAOYSA-N -1 3 376.219 3.772 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1[O-] ZINC000613683253 838274511 /nfs/dbraw/zinc/27/45/11/838274511.db2.gz CQTZROINGXPVCK-CYBMUJFWSA-N -1 3 389.835 3.916 20 0 GHADHM O=C(Nc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)c1cccs1 ZINC000255130802 838286719 /nfs/dbraw/zinc/28/67/19/838286719.db2.gz ADAPIDWIKYMKAD-ATVHPVEESA-N -1 3 389.436 3.723 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n[n-]2)o1 ZINC000181887710 838297107 /nfs/dbraw/zinc/29/71/07/838297107.db2.gz MIKYDKPPCJCEJO-UHFFFAOYSA-N -1 3 380.383 3.567 20 0 GHADHM CN(C)c1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)ccn1 ZINC000589165868 838333706 /nfs/dbraw/zinc/33/37/06/838333706.db2.gz IJDNMEKWOMOLAY-UHFFFAOYSA-N -1 3 376.247 3.519 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001125839584 838354233 /nfs/dbraw/zinc/35/42/33/838354233.db2.gz UMUYPKWHBZEKKE-RHSMWYFYSA-N -1 3 398.544 3.991 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000031679644 838435971 /nfs/dbraw/zinc/43/59/71/838435971.db2.gz ASNJJPHCAFOSQD-OAHLLOKOSA-N -1 3 390.480 3.889 20 0 GHADHM CCN(CCc1ccccc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179435424 838543649 /nfs/dbraw/zinc/54/36/49/838543649.db2.gz SBQZDBYQSJELBL-UHFFFAOYSA-N -1 3 393.443 3.646 20 0 GHADHM O=C(Nc1ccnn1C[C@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179519937 838545063 /nfs/dbraw/zinc/54/50/63/838545063.db2.gz QITHXIKLPSBBPL-OAHLLOKOSA-N -1 3 379.416 3.670 20 0 GHADHM CCCC[C@H](NC(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179937515 838556550 /nfs/dbraw/zinc/55/65/50/838556550.db2.gz LYIVDOWORQGEBP-HNNXBMFYSA-N -1 3 398.488 3.835 20 0 GHADHM COC(=O)c1cc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])oc1C ZINC000110232042 844359941 /nfs/dbraw/zinc/35/99/41/844359941.db2.gz VAPWKGCUYZDZNE-UHFFFAOYSA-N -1 3 393.439 3.943 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CCSCc1cccc2ccccc21 ZINC000064965458 838693149 /nfs/dbraw/zinc/69/31/49/838693149.db2.gz PPHQLPUAPUYDHB-UHFFFAOYSA-N -1 3 376.503 3.656 20 0 GHADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000414637391 838713324 /nfs/dbraw/zinc/71/33/24/838713324.db2.gz MBTDPPRSQJDWEK-VGOFRKELSA-N -1 3 381.520 3.821 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Br)c1cnc(Cl)c(Cl)c1 ZINC000083935128 838731015 /nfs/dbraw/zinc/73/10/15/838731015.db2.gz KDJFPEIHQKRENM-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000549413756 838820038 /nfs/dbraw/zinc/82/00/38/838820038.db2.gz JDPZTVZZMMIPRC-HNNXBMFYSA-N -1 3 391.480 3.944 20 0 GHADHM Cc1cnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000182945888 838868469 /nfs/dbraw/zinc/86/84/69/838868469.db2.gz SLYAMFDYWYVSAC-QGZVFWFLSA-N -1 3 381.457 3.657 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205256 838872441 /nfs/dbraw/zinc/87/24/41/838872441.db2.gz RWJMDECDWMQNEL-CYBMUJFWSA-N -1 3 379.382 3.749 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccsc1 ZINC000183225548 838917700 /nfs/dbraw/zinc/91/77/00/838917700.db2.gz UMPKCBSYRRASMY-HXUWFJFHSA-N -1 3 394.496 3.674 20 0 GHADHM Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCc2ncccc2[O-])cs1 ZINC000580136341 838947800 /nfs/dbraw/zinc/94/78/00/838947800.db2.gz SDJSUETWDOWORH-UHFFFAOYSA-N -1 3 385.464 3.952 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1cccc(C)c1C ZINC000472737467 839340826 /nfs/dbraw/zinc/34/08/26/839340826.db2.gz QBBGOVWDKJMNHK-SFHVURJKSA-N -1 3 393.530 3.608 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1COCc1ccccc1)C(C)C ZINC000647124734 839496409 /nfs/dbraw/zinc/49/64/09/839496409.db2.gz XLYFYCWALNLPEM-FQEVSTJZSA-N -1 3 377.506 3.816 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001267650545 839627609 /nfs/dbraw/zinc/62/76/09/839627609.db2.gz KLSWGMAADPLRJE-UHFFFAOYSA-N -1 3 376.420 3.638 20 0 GHADHM COc1cc([C@@H](C)NC(=O)NCc2ncccc2[O-])ccc1OC1CCCC1 ZINC000471604183 839944657 /nfs/dbraw/zinc/94/46/57/839944657.db2.gz IYHBRDLFTDUSIW-CQSZACIVSA-N -1 3 385.464 3.678 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000047031884 840131157 /nfs/dbraw/zinc/13/11/57/840131157.db2.gz HSIOBOSAAWLRMD-CQSZACIVSA-N -1 3 389.304 3.702 20 0 GHADHM O=c1cc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)nc(C2CC2)[n-]1 ZINC000580761356 840143811 /nfs/dbraw/zinc/14/38/11/840143811.db2.gz BNJLELJWRHMKNS-UHFFFAOYSA-N -1 3 393.534 3.679 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1Cl ZINC000055632999 840219372 /nfs/dbraw/zinc/21/93/72/840219372.db2.gz JGPXIMXFGVDOIO-UHFFFAOYSA-N -1 3 385.869 3.565 20 0 GHADHM COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417021043 840377911 /nfs/dbraw/zinc/37/79/11/840377911.db2.gz JQWUACGKFWQJEE-UHFFFAOYSA-N -1 3 396.491 3.697 20 0 GHADHM COC(=O)c1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C)cc1Br ZINC000417049178 840407535 /nfs/dbraw/zinc/40/75/35/840407535.db2.gz SZLRXGDJDLTCON-UHFFFAOYSA-N -1 3 392.253 3.529 20 0 GHADHM CCc1nc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)sc1C ZINC000500420056 840454142 /nfs/dbraw/zinc/45/41/42/840454142.db2.gz CKYPITWYVALNMA-UHFFFAOYSA-N -1 3 393.559 3.658 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc(=O)oc12 ZINC000066850497 840457301 /nfs/dbraw/zinc/45/73/01/840457301.db2.gz KLNDFJSJEPXIRA-LJQANCHMSA-N -1 3 387.382 3.659 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000432062635 840576727 /nfs/dbraw/zinc/57/67/27/840576727.db2.gz QJXRAPLQSJLMLY-UHFFFAOYSA-N -1 3 399.827 3.659 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Cl ZINC000610473733 840607839 /nfs/dbraw/zinc/60/78/39/840607839.db2.gz NBQGOIQJDIERPZ-UHFFFAOYSA-N -1 3 391.855 3.871 20 0 GHADHM O=c1cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)nc(-c2ccccc2)[n-]1 ZINC000656415382 840769358 /nfs/dbraw/zinc/76/93/58/840769358.db2.gz BZPLAOLMCLIGPX-QGZVFWFLSA-N -1 3 377.448 3.837 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)c(F)cc1F ZINC000728806131 840790075 /nfs/dbraw/zinc/79/00/75/840790075.db2.gz PUQYRELWAUQINZ-UHFFFAOYSA-N -1 3 379.121 3.845 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cc(C)cc(C)c3)c2)[n-]1 ZINC000432906130 844576037 /nfs/dbraw/zinc/57/60/37/844576037.db2.gz PYGDHBBBEYLRFQ-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cc(C)cc(C)c3)c2)n[n-]1 ZINC000432906130 844576043 /nfs/dbraw/zinc/57/60/43/844576043.db2.gz PYGDHBBBEYLRFQ-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM COc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)CCO2 ZINC001267845734 840832922 /nfs/dbraw/zinc/83/29/22/840832922.db2.gz RITKXNNCRSTARS-CQSZACIVSA-N -1 3 382.794 3.784 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cnc(C2CC2)s1 ZINC000610486319 840844334 /nfs/dbraw/zinc/84/43/34/840844334.db2.gz RJWQPYXEIGSTSN-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000047464526 840854698 /nfs/dbraw/zinc/85/46/98/840854698.db2.gz JZMGOXLMFBEGKB-UHFFFAOYSA-N -1 3 390.505 3.724 20 0 GHADHM COc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)c([O-])c1 ZINC000048291550 840887804 /nfs/dbraw/zinc/88/78/04/840887804.db2.gz QTKOUPBZTBMNKR-UHFFFAOYSA-N -1 3 379.460 3.506 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc2ncsc2c1 ZINC000610490350 840948506 /nfs/dbraw/zinc/94/85/06/840948506.db2.gz 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382.482 3.523 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000730809051 861296963 /nfs/dbraw/zinc/29/69/63/861296963.db2.gz QSIHONVFQJMAPB-SNVBAGLBSA-N -1 3 388.258 3.636 20 0 GHADHM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccc(C4CCCCC4)cc3)CC2)C1 ZINC000650499181 842417158 /nfs/dbraw/zinc/41/71/58/842417158.db2.gz KWMIUYAKJMWVQX-HXUWFJFHSA-N -1 3 384.520 3.632 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3C3CCCCC3)nc(=O)c2c1C ZINC000603896669 861313148 /nfs/dbraw/zinc/31/31/48/861313148.db2.gz ZUQRHEJCXHFDBV-CQSZACIVSA-N -1 3 389.521 3.624 20 0 GHADHM CCOc1ccc(C(=O)NN=Cc2cc(Cl)c([O-])c(OCC)c2)cc1OC ZINC000006355479 842482158 /nfs/dbraw/zinc/48/21/58/842482158.db2.gz JBDAASGBQNQGIH-UHFFFAOYSA-N -1 3 392.839 3.616 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000432453839 842548410 /nfs/dbraw/zinc/54/84/10/842548410.db2.gz KMLRVTZCPDHHNJ-KRWDZBQOSA-N -1 3 378.519 3.595 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000652498317 842640457 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NCJNRQZNGIMMDV-ZDUSSCGKSA-N -1 3 385.518 3.569 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)CN([C@H](C)c4ccccc4)C3=O)cc2)cc(=O)[n-]1 ZINC000349276142 861425197 /nfs/dbraw/zinc/42/51/97/861425197.db2.gz KLQDUPSGOIPWDW-CQSZACIVSA-N -1 3 388.427 3.687 20 0 GHADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1csc(-c2ccccc2)n1 ZINC000500443556 843550035 /nfs/dbraw/zinc/55/00/35/843550035.db2.gz ZNPDWHCJRHXITE-UHFFFAOYSA-N -1 3 399.541 3.757 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nccs1 ZINC000429833089 843944269 /nfs/dbraw/zinc/94/42/69/843944269.db2.gz VPPZWKBSWHVKRA-UHFFFAOYSA-N -1 3 395.731 3.773 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434785180 843959997 /nfs/dbraw/zinc/95/99/97/843959997.db2.gz OZCHKFWRHZURTB-UHFFFAOYSA-N -1 3 392.290 3.598 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)CCOc3ccccc3F)cc2)cc(=O)[n-]1 ZINC000509855565 843971609 /nfs/dbraw/zinc/97/16/09/843971609.db2.gz RTFSGGDLDCGLMJ-UHFFFAOYSA-N -1 3 396.422 3.839 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c2cccnc12 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397.332 3.963 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000535902602 845105060 /nfs/dbraw/zinc/10/50/60/845105060.db2.gz XOOSPTMRQCFUDH-VDBVYFBLSA-N -1 3 395.477 3.657 20 0 GHADHM O=C(c1cc2ccccc2s1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000513319845 845225281 /nfs/dbraw/zinc/22/52/81/845225281.db2.gz CTRBECYJIXROIO-UHFFFAOYSA-N -1 3 388.439 3.843 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000098093162 845261058 /nfs/dbraw/zinc/26/10/58/845261058.db2.gz LGPDKSGYHHTGPP-UHFFFAOYSA-N -1 3 388.309 3.522 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)ccc1F ZINC000512737459 845271866 /nfs/dbraw/zinc/27/18/66/845271866.db2.gz CYZPATSSULSBKH-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COCc1nc(C(=O)[N-]c2sc3c(c2C(=O)c2ccccc2)CCC3)co1 ZINC000548520429 845293694 /nfs/dbraw/zinc/29/36/94/845293694.db2.gz QVQFPQGFFYRANL-UHFFFAOYSA-N -1 3 382.441 3.855 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)NCc2ncccc2[O-])c(C(F)(F)F)c1 ZINC000472017654 845398752 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CCc1occc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000280751098 846517617 /nfs/dbraw/zinc/51/76/17/846517617.db2.gz HEXZTMIGIRYVAF-UHFFFAOYSA-N -1 3 376.840 3.692 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(OCc2cccs2)c1 ZINC000502955727 846651838 /nfs/dbraw/zinc/65/18/38/846651838.db2.gz AIDLMCCNPCNSHS-UHFFFAOYSA-N -1 3 376.441 3.786 20 0 GHADHM C[C@@H](NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Cl ZINC000419604638 846671971 /nfs/dbraw/zinc/67/19/71/846671971.db2.gz OCJZSDKDNVSYPH-LLVKDONJSA-N -1 3 377.897 3.824 20 0 GHADHM CCc1ccccc1OCC(=O)N[N-]C(=O)c1sccc1-c1ccccc1 ZINC000015710734 846712753 /nfs/dbraw/zinc/71/27/53/846712753.db2.gz DAJNUSCAGNWBEB-UHFFFAOYSA-N -1 3 380.469 3.818 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCc4cccc(O)c43)c2)n1 ZINC000582278389 846764483 /nfs/dbraw/zinc/76/44/83/846764483.db2.gz FHUYEDVBWDLZQQ-KRWDZBQOSA-N -1 3 375.428 3.786 20 0 GHADHM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)C1CCCCC1 ZINC000503156772 846850216 /nfs/dbraw/zinc/85/02/16/846850216.db2.gz CWQFQRMFNBPPGU-UHFFFAOYSA-N -1 3 395.438 3.754 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCCN(CC(F)(F)F)CC2)c1C ZINC000582363446 846961739 /nfs/dbraw/zinc/96/17/39/846961739.db2.gz WOVKCVIVTGAEQL-UHFFFAOYSA-N -1 3 381.398 3.624 20 0 GHADHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1c[n-]c2ccccc2c1=O ZINC000277565348 846997562 /nfs/dbraw/zinc/99/75/62/846997562.db2.gz NKYNXJVPHOFJTP-REWPJTCUSA-N -1 3 394.446 3.583 20 0 GHADHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1c[n-]c2ccccc2c1=O ZINC000277565341 846997777 /nfs/dbraw/zinc/99/77/77/846997777.db2.gz NKYNXJVPHOFJTP-NZQKXSOJSA-N -1 3 394.446 3.583 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000127504804 847016593 /nfs/dbraw/zinc/01/65/93/847016593.db2.gz RJMYCXGEFVTQCU-HKWRFOASSA-N -1 3 391.471 3.672 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccc(OC(F)F)cc1 ZINC000731602877 861754799 /nfs/dbraw/zinc/75/47/99/861754799.db2.gz JOWATHVZELNRON-NSHDSACASA-N -1 3 385.313 3.950 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000272799586 847176816 /nfs/dbraw/zinc/17/68/16/847176816.db2.gz AKNGNESFRFTSMS-POZUXBRTSA-N -1 3 380.492 3.522 20 0 GHADHM CCCn1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1C1CC1 ZINC000158663823 847203408 /nfs/dbraw/zinc/20/34/08/847203408.db2.gz QEQDSFCWMOZCFL-UHFFFAOYSA-N -1 3 378.270 3.569 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 ZINC000501826658 847215235 /nfs/dbraw/zinc/21/52/35/847215235.db2.gz OZOQSQLWNDQFBJ-LJQANCHMSA-N -1 3 391.489 3.752 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)[n-]1 ZINC000277615810 847289044 /nfs/dbraw/zinc/28/90/44/847289044.db2.gz GBUAFFKSEAYXFH-SFHVURJKSA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)n[n-]1 ZINC000277615810 847289053 /nfs/dbraw/zinc/28/90/53/847289053.db2.gz GBUAFFKSEAYXFH-SFHVURJKSA-N -1 3 398.507 3.517 20 0 GHADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccc(Cl)cc1 ZINC000179782371 861774478 /nfs/dbraw/zinc/77/44/78/861774478.db2.gz ZOPKSJRWWNJHNQ-GFCCVEGCSA-N -1 3 394.880 3.559 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000501918647 847320975 /nfs/dbraw/zinc/32/09/75/847320975.db2.gz RGZIJVUELLUGEY-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM COc1cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273576208 847375503 /nfs/dbraw/zinc/37/55/03/847375503.db2.gz MNQHBOJWJXSLOI-IRXDYDNUSA-N -1 3 389.423 3.541 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127781786 847453701 /nfs/dbraw/zinc/45/37/01/847453701.db2.gz DBTLHSWIFIPJQA-GOSISDBHSA-N -1 3 394.515 3.642 20 0 GHADHM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503281907 847555495 /nfs/dbraw/zinc/55/54/95/847555495.db2.gz HKMSFWXHVXNSAT-GOSISDBHSA-N -1 3 390.422 3.780 20 0 GHADHM CCCCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@@H](CC)c1ccccc1 ZINC000503306490 847577341 /nfs/dbraw/zinc/57/73/41/847577341.db2.gz QWFXXNRRJLHHCC-IBGZPJMESA-N -1 3 389.521 3.847 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(Sc2ccccc2)CCCC1 ZINC000731674744 861806377 /nfs/dbraw/zinc/80/63/77/861806377.db2.gz CTLZEKASQKHGHQ-UHFFFAOYSA-N -1 3 399.969 3.765 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3cccnc3C)cc2)cc1 ZINC000503423219 847674471 /nfs/dbraw/zinc/67/44/71/847674471.db2.gz GLJUTAQSHGOTKX-UHFFFAOYSA-N -1 3 395.484 3.680 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000421144969 847782102 /nfs/dbraw/zinc/78/21/02/847782102.db2.gz CJKGMGRSTZDIFL-ZDUSSCGKSA-N -1 3 375.824 3.618 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000421158443 847791873 /nfs/dbraw/zinc/79/18/73/847791873.db2.gz RZPZONCHKQYYGO-LJQANCHMSA-N -1 3 387.505 3.617 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccco1)Cc1cccnc1 ZINC000502388498 847835015 /nfs/dbraw/zinc/83/50/15/847835015.db2.gz WQSRNKOZRQJRFK-UHFFFAOYSA-N -1 3 395.365 3.637 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c1 ZINC001299321283 861867275 /nfs/dbraw/zinc/86/72/75/861867275.db2.gz IKQBPAMAFRGGTJ-MRXNPFEDSA-N -1 3 396.306 3.682 20 0 GHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl ZINC000685006051 848136276 /nfs/dbraw/zinc/13/62/76/848136276.db2.gz AHUVSKZQDRMANC-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc1F ZINC000728514575 848184698 /nfs/dbraw/zinc/18/46/98/848184698.db2.gz QZKFVQOEWQTLSE-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM [O-]c1c(F)cc(Nc2c(Br)cncc2Br)cc1F ZINC001213371073 848186897 /nfs/dbraw/zinc/18/68/97/848186897.db2.gz VPSXRARFQGYHMT-UHFFFAOYSA-N -1 3 379.986 3.756 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2ccccc2C)c2ccc(Cl)cc2)no1 ZINC000179989544 861888746 /nfs/dbraw/zinc/88/87/46/861888746.db2.gz CRMAQYAYNCGSHA-KRWDZBQOSA-N -1 3 391.880 3.549 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1N(C)C ZINC000731782837 861891606 /nfs/dbraw/zinc/89/16/06/861891606.db2.gz NOKFDMCGETYFEF-UHFFFAOYSA-N -1 3 389.521 3.846 20 0 GHADHM CC(C)c1ccc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000731892913 861942159 /nfs/dbraw/zinc/94/21/59/861942159.db2.gz ZZSHELGMDFEBHH-ZDUSSCGKSA-N -1 3 395.912 3.554 20 0 GHADHM COC[C@]1(C(=O)[O-])CCCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000583030291 848905718 /nfs/dbraw/zinc/90/57/18/848905718.db2.gz HBAUFYQIOSYGID-SFHVURJKSA-N -1 3 398.381 3.674 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCN(c4cccs4)CC3)nc2)n1 ZINC000154102259 849186743 /nfs/dbraw/zinc/18/67/43/849186743.db2.gz FJWUTHXCCFSFJG-UHFFFAOYSA-N -1 3 381.505 3.537 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1c1ccncc1 ZINC000126303843 849701379 /nfs/dbraw/zinc/70/13/79/849701379.db2.gz IVVCVIGFIWIOAP-OAHLLOKOSA-N -1 3 376.254 3.596 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NC(=O)c1cc(F)cc2n[n-]nc21)c1ccco1 ZINC000504003208 849834811 /nfs/dbraw/zinc/83/48/11/849834811.db2.gz DPEKYGGSKOUGLA-UHFFFAOYSA-N -1 3 399.769 3.848 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000098122207 849888425 /nfs/dbraw/zinc/88/84/25/849888425.db2.gz VJCIBBQDVWVLPU-QWHCGFSZSA-N -1 3 381.904 3.840 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1sccc1-c1ccc(F)cc1 ZINC000732084963 862072689 /nfs/dbraw/zinc/07/26/89/862072689.db2.gz CWUGLUGHZYWWEH-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1sccc1-c1ccc(F)cc1 ZINC000732084963 862072696 /nfs/dbraw/zinc/07/26/96/862072696.db2.gz CWUGLUGHZYWWEH-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H](c3ccccn3)C2)s1 ZINC000908394920 850077171 /nfs/dbraw/zinc/07/71/71/850077171.db2.gz IYFCBQLTICFLLV-ZDUSSCGKSA-N -1 3 388.493 3.905 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486844279 850153574 /nfs/dbraw/zinc/15/35/74/850153574.db2.gz UJPVGLFOQWNUGU-LURJTMIESA-N -1 3 388.795 3.994 20 0 GHADHM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908581507 850186873 /nfs/dbraw/zinc/18/68/73/850186873.db2.gz CFIDFSTXGJFLNN-FQEVSTJZSA-N -1 3 398.478 3.541 20 0 GHADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000435216558 850222680 /nfs/dbraw/zinc/22/26/80/850222680.db2.gz MXBBEBAZZKBHIC-SNVBAGLBSA-N -1 3 390.274 3.789 20 0 GHADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435225049 850242439 /nfs/dbraw/zinc/24/24/39/850242439.db2.gz HKGSRMNGHAZINY-VXGBXAGGSA-N -1 3 396.347 3.931 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000518858118 850258207 /nfs/dbraw/zinc/25/82/07/850258207.db2.gz ACGQKAPDVXOIMY-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908739551 850314290 /nfs/dbraw/zinc/31/42/90/850314290.db2.gz FPQDPTUJNMSSMC-UKRRQHHQSA-N -1 3 398.425 3.554 20 0 GHADHM CC[C@H](C)C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749361 850321887 /nfs/dbraw/zinc/32/18/87/850321887.db2.gz RVFCCAHFWALBKV-USXIJHARSA-N -1 3 395.569 3.710 20 0 GHADHM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000908801220 850367955 /nfs/dbraw/zinc/36/79/55/850367955.db2.gz CNKFZACAWZDGDJ-LPHOPBHVSA-N -1 3 381.542 3.560 20 0 GHADHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000487118517 850472530 /nfs/dbraw/zinc/47/25/30/850472530.db2.gz BCBNDYOYQFDUIW-IAQYHMDHSA-N -1 3 383.407 3.574 20 0 GHADHM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000504984608 850506599 /nfs/dbraw/zinc/50/65/99/850506599.db2.gz HBXBPOWDEQJNER-UHFFFAOYSA-N -1 3 393.530 3.901 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)cc1C ZINC000435475517 850555161 /nfs/dbraw/zinc/55/51/61/850555161.db2.gz UYBZZJQAAYKNGF-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000435488598 850571698 /nfs/dbraw/zinc/57/16/98/850571698.db2.gz CYHBGDRZVZOVOS-UHFFFAOYSA-N -1 3 379.457 3.645 20 0 GHADHM Cc1occc1-c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000515020076 850582288 /nfs/dbraw/zinc/58/22/88/850582288.db2.gz NKKQMNQWLNGZOE-UHFFFAOYSA-N -1 3 388.380 3.573 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc(F)cc2n[n-]nc21 ZINC000505118316 850619223 /nfs/dbraw/zinc/61/92/23/850619223.db2.gz URMGIXLDTZTXPD-UHFFFAOYSA-N -1 3 390.243 3.970 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000424716861 850639787 /nfs/dbraw/zinc/63/97/87/850639787.db2.gz CDDKYAHFBJGHGP-HIFRSBDPSA-N -1 3 382.863 3.751 20 0 GHADHM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000505167278 850679498 /nfs/dbraw/zinc/67/94/98/850679498.db2.gz HRQQWWFZYDOMIY-UHFFFAOYSA-N -1 3 382.847 3.617 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515205487 850785127 /nfs/dbraw/zinc/78/51/27/850785127.db2.gz CLDBQUMOAIIZKJ-VIFPVBQESA-N -1 3 397.656 3.565 20 0 GHADHM Cc1cc([C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])ccc1F ZINC000909794286 850792136 /nfs/dbraw/zinc/79/21/36/850792136.db2.gz DXQBFSRZJCRRNO-HXUWFJFHSA-N -1 3 384.451 3.676 20 0 GHADHM O=c1[n-]c(CSc2ncn(-c3ccccc3)n2)nc2c3ccccc3oc21 ZINC000253615374 850810117 /nfs/dbraw/zinc/81/01/17/850810117.db2.gz OHBBRHVRFHFDSL-UHFFFAOYSA-N -1 3 375.413 3.955 20 0 GHADHM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515310327 850904525 /nfs/dbraw/zinc/90/45/25/850904525.db2.gz QYSAEGBVXLURIB-UHFFFAOYSA-N -1 3 387.439 3.592 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000569899744 850933333 /nfs/dbraw/zinc/93/33/33/850933333.db2.gz UDLZEDRRNRWJQD-UHFFFAOYSA-N -1 3 394.450 3.621 20 0 GHADHM C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909991685 850934969 /nfs/dbraw/zinc/93/49/69/850934969.db2.gz GPIUOZLPLREXSH-RDPSFJRHSA-N -1 3 394.515 3.560 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c(C)o1 ZINC000434259817 850936592 /nfs/dbraw/zinc/93/65/92/850936592.db2.gz MOKBHTPCFFVOSH-QGZVFWFLSA-N -1 3 398.912 3.619 20 0 GHADHM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000519337335 850944414 /nfs/dbraw/zinc/94/44/14/850944414.db2.gz YKFQJDAYGAIUES-GFCCVEGCSA-N -1 3 390.417 3.698 20 0 GHADHM FC(F)(F)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(C(F)(F)F)cc1 ZINC000435929437 851004042 /nfs/dbraw/zinc/00/40/42/851004042.db2.gz IXEAKMJWCVAGBF-LLVKDONJSA-N -1 3 375.276 3.851 20 0 GHADHM COc1ccc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c(Br)c1[O-] ZINC000426629408 851034487 /nfs/dbraw/zinc/03/44/87/851034487.db2.gz CFADJRANZOZROL-DIFFPNOSSA-N -1 3 386.286 3.534 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000366583713 851044911 /nfs/dbraw/zinc/04/49/11/851044911.db2.gz PJJNZJFQUKELBF-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM COc1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc(OC)c1[O-] ZINC000513953416 851056212 /nfs/dbraw/zinc/05/62/12/851056212.db2.gz OGFMEWXDRQBCLF-UHFFFAOYSA-N -1 3 387.766 3.594 20 0 GHADHM C[C@@H](Oc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1F)C(=O)[O-] ZINC000910229477 851064708 /nfs/dbraw/zinc/06/47/08/851064708.db2.gz RXOUGABBVQURNS-CQSZACIVSA-N -1 3 386.423 3.526 20 0 GHADHM COc1cc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000513964960 851077705 /nfs/dbraw/zinc/07/77/05/851077705.db2.gz QQJBUBZYYNFKPT-GOSISDBHSA-N -1 3 385.460 3.624 20 0 GHADHM CC1=C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000435995747 851082761 /nfs/dbraw/zinc/08/27/61/851082761.db2.gz OBNHDHRHBNIXLW-CQSZACIVSA-N -1 3 388.464 3.665 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)C(F)(F)F ZINC000443925219 862204974 /nfs/dbraw/zinc/20/49/74/862204974.db2.gz CODPGCQEIQOYNB-NHYWBVRUSA-N -1 3 377.432 3.873 20 0 GHADHM CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCCC1 ZINC000519487774 851107732 /nfs/dbraw/zinc/10/77/32/851107732.db2.gz DKZSCESEYXIJCN-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM Cc1nc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C(=O)[O-] ZINC000910370658 851161307 /nfs/dbraw/zinc/16/13/07/851161307.db2.gz SCOOTRHQWISVSS-FZKQIMNGSA-N -1 3 377.847 3.986 20 0 GHADHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN([C@@H](C)c4ccccc4)CC3)c12 ZINC000910372552 851162192 /nfs/dbraw/zinc/16/21/92/851162192.db2.gz KOYLWZWNQHUHIF-AWEZNQCLSA-N -1 3 382.489 3.581 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132665312 862218676 /nfs/dbraw/zinc/21/86/76/862218676.db2.gz CDFIZEOGWNEELR-UHFFFAOYSA-N -1 3 395.478 3.950 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1cccs1 ZINC000729451930 851238029 /nfs/dbraw/zinc/23/80/29/851238029.db2.gz KEODLQWFZGLHGX-ALCCZGGFSA-N -1 3 390.408 3.790 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1Cl ZINC000515629983 851270434 /nfs/dbraw/zinc/27/04/34/851270434.db2.gz NCVLFIHOSNAVJG-UHFFFAOYSA-N -1 3 399.896 3.873 20 0 GHADHM Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4ncccc4[O-])cc3)o2)cc1 ZINC000473636928 851321643 /nfs/dbraw/zinc/32/16/43/851321643.db2.gz IJSLGTOKPZNAAY-UHFFFAOYSA-N -1 3 386.411 3.743 20 0 GHADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000510003172 851557057 /nfs/dbraw/zinc/55/70/57/851557057.db2.gz RVFQNAVQNJHMFC-GFCCVEGCSA-N -1 3 384.851 3.510 20 0 GHADHM CC1CCN([C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2cccs2)CC1 ZINC000911101363 851571625 /nfs/dbraw/zinc/57/16/25/851571625.db2.gz FYBQHFGUSCHGBR-MRXNPFEDSA-N -1 3 390.549 3.672 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000732394486 862259116 /nfs/dbraw/zinc/25/91/16/862259116.db2.gz NIABUTXZONBTSP-OAHLLOKOSA-N -1 3 392.411 3.550 20 0 GHADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000366601132 851604710 /nfs/dbraw/zinc/60/47/10/851604710.db2.gz JZTWHUOAXZXESY-NSHDSACASA-N -1 3 387.490 3.511 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000111355754 851640060 /nfs/dbraw/zinc/64/00/60/851640060.db2.gz GLHOFNVWWQQIIH-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488655081 851687977 /nfs/dbraw/zinc/68/79/77/851687977.db2.gz IEOFXKPPNUQTCY-MRXNPFEDSA-N -1 3 378.266 3.937 20 0 GHADHM Cc1ccccc1-n1cc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000488689313 851697215 /nfs/dbraw/zinc/69/72/15/851697215.db2.gz WCMYSCOPDQFAEL-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1cc(F)ccc1Cl ZINC000488723381 851725604 /nfs/dbraw/zinc/72/56/04/851725604.db2.gz JPAWZGMMJAFTQQ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COc1cccc(CNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000042297042 862282387 /nfs/dbraw/zinc/28/23/87/862282387.db2.gz VFRPUIHRWQQAPI-UHFFFAOYSA-N -1 3 375.643 3.877 20 0 GHADHM CC1(C)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C(C)(C)CN1Cc1ccccc1 ZINC000911501852 851762510 /nfs/dbraw/zinc/76/25/10/851762510.db2.gz YODNAVMPNNIWNX-QBFSEMIESA-N -1 3 396.487 3.893 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)C2CC2)cc1 ZINC000519562066 851796933 /nfs/dbraw/zinc/79/69/33/851796933.db2.gz WTCQHTMLEKCHIJ-OAHLLOKOSA-N -1 3 376.456 3.978 20 0 GHADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488865647 851824907 /nfs/dbraw/zinc/82/49/07/851824907.db2.gz ZLABRRKRPFDXHR-UHFFFAOYSA-N -1 3 391.386 3.683 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(Br)c1)c1cc(F)ccc1Cl ZINC000488912683 851858620 /nfs/dbraw/zinc/85/86/20/851858620.db2.gz LAZKWLKKHMNIPR-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000488913758 851859538 /nfs/dbraw/zinc/85/95/38/851859538.db2.gz DGOOCCBPZCIHLF-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)([N-]CCCOc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000488916913 851861128 /nfs/dbraw/zinc/86/11/28/851861128.db2.gz JOKZODHLOZTISS-UHFFFAOYSA-N -1 3 377.359 3.592 20 0 GHADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N(C)C)cc1 ZINC000489004801 851932970 /nfs/dbraw/zinc/93/29/70/851932970.db2.gz WLTLCOWFWMCHIM-KRWDZBQOSA-N -1 3 384.904 3.623 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@H]3[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000519569410 851937991 /nfs/dbraw/zinc/93/79/91/851937991.db2.gz SRLCAAREVVIRRZ-IEBWSBKVSA-N -1 3 382.464 3.579 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c1Cl ZINC000436478533 851945894 /nfs/dbraw/zinc/94/58/94/851945894.db2.gz QBUCJCSLSHBQIJ-UHFFFAOYSA-N -1 3 393.679 3.855 20 0 GHADHM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436524929 852014515 /nfs/dbraw/zinc/01/45/15/852014515.db2.gz LNKPRSIDZZMNAL-HNNXBMFYSA-N -1 3 390.505 3.561 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c([O-])c1 ZINC000436552609 852040810 /nfs/dbraw/zinc/04/08/10/852040810.db2.gz DYQLSYWOGBDBFQ-UHFFFAOYSA-N -1 3 379.441 3.961 20 0 GHADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000029234882 862321993 /nfs/dbraw/zinc/32/19/93/862321993.db2.gz HQKMDZWKWGHCQV-GFCCVEGCSA-N -1 3 394.258 3.585 20 0 GHADHM COCCN1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000436543366 852057142 /nfs/dbraw/zinc/05/71/42/852057142.db2.gz FGIUBOWIQJLNRS-UHFFFAOYSA-N -1 3 388.895 3.553 20 0 GHADHM O=c1c2ccccc2ncn1CCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436567537 852071038 /nfs/dbraw/zinc/07/10/38/852071038.db2.gz YWXNTGHRCBUCNM-UHFFFAOYSA-N -1 3 384.395 3.548 20 0 GHADHM O=C(NCc1cn2ccsc2n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436593575 852080524 /nfs/dbraw/zinc/08/05/24/852080524.db2.gz FHAXBLBDFGBQFC-UHFFFAOYSA-N -1 3 377.469 3.817 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2C)c1 ZINC000436595547 852082436 /nfs/dbraw/zinc/08/24/36/852082436.db2.gz LWGBIVWGGHCTQR-UHFFFAOYSA-N -1 3 393.443 3.914 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c([O-])c1 ZINC000436580439 852088691 /nfs/dbraw/zinc/08/86/91/852088691.db2.gz WRWSRJZLBKDWTH-LJQANCHMSA-N -1 3 380.488 3.940 20 0 GHADHM CC(C)C(=O)N1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436581993 852090575 /nfs/dbraw/zinc/09/05/75/852090575.db2.gz KRGNGNMWBFVJNI-UHFFFAOYSA-N -1 3 394.515 3.554 20 0 GHADHM CCOCc1nc([C@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000436603743 852103475 /nfs/dbraw/zinc/10/34/75/852103475.db2.gz MWPLCLUQHDJWES-ZDUSSCGKSA-N -1 3 383.404 3.595 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436612228 852112759 /nfs/dbraw/zinc/11/27/59/852112759.db2.gz PZWYMOHTXQYSSN-GOSISDBHSA-N -1 3 392.499 3.623 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000044197297 852122171 /nfs/dbraw/zinc/12/21/71/852122171.db2.gz RKSWMAHAWZQTPT-UHFFFAOYSA-N -1 3 395.444 3.716 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(COC3CCCC3)cc2)c([O-])c1 ZINC000436634139 852130210 /nfs/dbraw/zinc/13/02/10/852130210.db2.gz NWIVKZCIPWERJY-UHFFFAOYSA-N -1 3 396.487 3.918 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436667080 852163472 /nfs/dbraw/zinc/16/34/72/852163472.db2.gz SLPARBPXBJADQO-UHFFFAOYSA-N -1 3 386.879 3.767 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3cc(F)cc(Br)c3)no2)c1 ZINC000436688108 852196925 /nfs/dbraw/zinc/19/69/25/852196925.db2.gz NJOANCIYDNAWRV-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM COc1cc(-c2nc(Cc3ccc(Br)cc3)no2)cc(OC)c1[O-] ZINC000436692029 852201942 /nfs/dbraw/zinc/20/19/42/852201942.db2.gz VTUBUOAMXSHJEV-UHFFFAOYSA-N -1 3 391.221 3.813 20 0 GHADHM COc1cc(-c2nc(-c3ccc(OC(F)F)c(OC)c3)no2)cc(OC)c1[O-] ZINC000436692220 852205804 /nfs/dbraw/zinc/20/58/04/852205804.db2.gz WALPWGRTENFPQU-UHFFFAOYSA-N -1 3 394.330 3.736 20 0 GHADHM CCN(C)[C@H](C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1)c1ccccc1 ZINC000522670836 862335702 /nfs/dbraw/zinc/33/57/02/862335702.db2.gz IKXUNZXAKFKBGD-FQEVSTJZSA-N -1 3 398.894 3.792 20 0 GHADHM CCN(C)[C@@H](C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1)c1ccccc1 ZINC000522670837 862336238 /nfs/dbraw/zinc/33/62/38/862336238.db2.gz IKXUNZXAKFKBGD-HXUWFJFHSA-N -1 3 398.894 3.792 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1)C1CC1 ZINC000436727883 852267370 /nfs/dbraw/zinc/26/73/70/852267370.db2.gz DUWPOGCFDJIQDZ-UHFFFAOYSA-N -1 3 380.444 3.873 20 0 GHADHM COc1ccc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)c([O-])c1 ZINC000436730496 852271106 /nfs/dbraw/zinc/27/11/06/852271106.db2.gz WZTIXZHGRBQFBU-NSHDSACASA-N -1 3 376.250 3.923 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([O-])c(Cl)c2)N(C)C)cc1 ZINC000436734130 852273863 /nfs/dbraw/zinc/27/38/63/852273863.db2.gz ZTIRGVLTMNNMCU-SFHVURJKSA-N -1 3 376.884 3.866 20 0 GHADHM NC(=O)c1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1Cl ZINC000436761739 852282449 /nfs/dbraw/zinc/28/24/49/852282449.db2.gz OJJREQXGIQFMBI-UHFFFAOYSA-N -1 3 380.831 3.988 20 0 GHADHM O=C([O-])COc1ccc(CCNCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000426698328 852282674 /nfs/dbraw/zinc/28/26/74/852282674.db2.gz ZXLVQZSQXGQCNO-UHFFFAOYSA-N -1 3 386.448 3.745 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436774664 852308532 /nfs/dbraw/zinc/30/85/32/852308532.db2.gz BLUJPPGLOCAMSW-MRXNPFEDSA-N -1 3 395.503 3.873 20 0 GHADHM C[C@@H](CC(F)(F)F)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436799080 852355905 /nfs/dbraw/zinc/35/59/05/852355905.db2.gz BICJRJRHCBQALQ-SUMWQHHRSA-N -1 3 394.393 3.711 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000436817906 852357423 /nfs/dbraw/zinc/35/74/23/852357423.db2.gz JNDFSIDLAVANAT-GFCCVEGCSA-N -1 3 397.431 3.513 20 0 GHADHM CCc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([O-])c1 ZINC000436816429 852358091 /nfs/dbraw/zinc/35/80/91/852358091.db2.gz DJEWKNJODASAJR-UHFFFAOYSA-N -1 3 393.409 3.767 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000517748524 852360463 /nfs/dbraw/zinc/36/04/63/852360463.db2.gz WQXMVEBRLOMCIY-UHFFFAOYSA-N -1 3 396.447 3.609 20 0 GHADHM CC(C)n1cc(C2=CCCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)nn1 ZINC000517756995 852361945 /nfs/dbraw/zinc/36/19/45/852361945.db2.gz NSGSRHRQMFVAPA-UHFFFAOYSA-N -1 3 386.471 3.732 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1[O-] ZINC000436805154 852363973 /nfs/dbraw/zinc/36/39/73/852363973.db2.gz CVEUIZWZLUZFNR-UHFFFAOYSA-N -1 3 383.429 3.735 20 0 GHADHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436808698 852368938 /nfs/dbraw/zinc/36/89/38/852368938.db2.gz QCRJEJBMTPYUHZ-UHFFFAOYSA-N -1 3 394.393 3.620 20 0 GHADHM COc1cc(C[NH2+][C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc(Br)c1[O-] ZINC000426760424 852369431 /nfs/dbraw/zinc/36/94/31/852369431.db2.gz REWRLHHHMNELCM-ZBEGNZNMSA-N -1 3 394.265 3.715 20 0 GHADHM CCC1(CC)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000436823460 852392772 /nfs/dbraw/zinc/39/27/72/852392772.db2.gz AYUIYGBUAQNJCX-NDEPHWFRSA-N -1 3 399.556 3.941 20 0 GHADHM CSc1c(F)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436824943 852393468 /nfs/dbraw/zinc/39/34/68/852393468.db2.gz JIAADEIDMZIJFJ-HNNXBMFYSA-N -1 3 392.427 3.636 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000489510970 852420414 /nfs/dbraw/zinc/42/04/14/852420414.db2.gz HKEWFINUWWEFQB-QMMMGPOBSA-N -1 3 384.376 3.529 20 0 GHADHM O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436860575 852423699 /nfs/dbraw/zinc/42/36/99/852423699.db2.gz PKMORLZPTKNKFC-HXUWFJFHSA-N -1 3 393.487 3.990 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1coc(-c2ccccc2)n1 ZINC000426816383 852428285 /nfs/dbraw/zinc/42/82/85/852428285.db2.gz OOOUGMSBVONFAN-QGZVFWFLSA-N -1 3 388.370 3.729 20 0 GHADHM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436880642 852451635 /nfs/dbraw/zinc/45/16/35/852451635.db2.gz KKTLIBJWNOFFAT-UHFFFAOYSA-N -1 3 377.444 3.990 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C)CCC(C)CC2)c1 ZINC000436885361 852458253 /nfs/dbraw/zinc/45/82/53/852458253.db2.gz CQRGCZVYONGEJC-UHFFFAOYSA-N -1 3 385.464 3.887 20 0 GHADHM CCCc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC000436892274 852464790 /nfs/dbraw/zinc/46/47/90/852464790.db2.gz IOAIEOCUDRYWQK-UHFFFAOYSA-N -1 3 386.879 3.596 20 0 GHADHM O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C(=O)c1ccc([O-])cc1 ZINC000436893235 852467064 /nfs/dbraw/zinc/46/70/64/852467064.db2.gz ORJYBUNBLDBTQE-UHFFFAOYSA-N -1 3 375.359 3.896 20 0 GHADHM O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCC3)Nc1cc(Cl)ccc1[O-] ZINC000516396159 852510879 /nfs/dbraw/zinc/51/08/79/852510879.db2.gz ZLDSQMUEWDXSCR-UHFFFAOYSA-N -1 3 389.864 3.816 20 0 GHADHM COc1cccc(-c2nc(CCc3ccccc3Br)no2)c1[O-] ZINC000436936307 852518567 /nfs/dbraw/zinc/51/85/67/852518567.db2.gz AWURXRGIXBCJDJ-UHFFFAOYSA-N -1 3 375.222 3.999 20 0 GHADHM Cc1ccc(CN(CCO)C(=O)c2cc(CCc3ccccc3)ccc2[O-])o1 ZINC000436936895 852519985 /nfs/dbraw/zinc/51/99/85/852519985.db2.gz ZVZRWCNHJKKHIK-UHFFFAOYSA-N -1 3 379.456 3.714 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436949084 852530591 /nfs/dbraw/zinc/53/05/91/852530591.db2.gz LKSCXBAOSPDFRF-KRWDZBQOSA-N -1 3 394.515 3.869 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436963134 852533493 /nfs/dbraw/zinc/53/34/93/852533493.db2.gz DLFTWCFKYITIPD-UHFFFAOYSA-N -1 3 380.488 3.664 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)NCc1ccccc1 ZINC000436953159 852542756 /nfs/dbraw/zinc/54/27/56/852542756.db2.gz MNAYSUUOIITARE-MRXNPFEDSA-N -1 3 390.439 3.619 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@H](C)CC[C@@H]3C)cs2)c1 ZINC000436976047 852562077 /nfs/dbraw/zinc/56/20/77/852562077.db2.gz AGUGDTQYSWCBBS-KGLIPLIRSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)C3CCC3)cs2)c1 ZINC000436980290 852567019 /nfs/dbraw/zinc/56/70/19/852567019.db2.gz MZHWBRXUQNOFTK-ZDUSSCGKSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)Oc3ccccc3)cc2)cc(=O)[n-]1 ZINC000506284976 852571623 /nfs/dbraw/zinc/57/16/23/852571623.db2.gz MDLZACMRVOVAHP-AWEZNQCLSA-N -1 3 378.432 3.747 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000436991587 852582065 /nfs/dbraw/zinc/58/20/65/852582065.db2.gz ROMBTRKXQDAJTF-YDHLFZDLSA-N -1 3 385.464 3.743 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489851713 852607565 /nfs/dbraw/zinc/60/75/65/852607565.db2.gz WWLNWYGXNKNINR-VIFPVBQESA-N -1 3 391.333 3.828 20 0 GHADHM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516488418 852634172 /nfs/dbraw/zinc/63/41/72/852634172.db2.gz CRLRUGUDIPDHNY-UHFFFAOYSA-N -1 3 394.475 3.508 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473852847 852643679 /nfs/dbraw/zinc/64/36/79/852643679.db2.gz GKSNNLHSOZDBRG-INIZCTEOSA-N -1 3 390.871 3.573 20 0 GHADHM COc1ccc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)c([O-])c1 ZINC000438627593 852644485 /nfs/dbraw/zinc/64/44/85/852644485.db2.gz QZZIRETXCHVUFP-HNNXBMFYSA-N -1 3 392.249 3.759 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473852850 852644576 /nfs/dbraw/zinc/64/45/76/852644576.db2.gz GKSNNLHSOZDBRG-MRXNPFEDSA-N -1 3 390.871 3.573 20 0 GHADHM COc1cc(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)cc(OC)c1[O-] ZINC000490174560 852804966 /nfs/dbraw/zinc/80/49/66/852804966.db2.gz RFRUGAOKQWNOQF-UHFFFAOYSA-N -1 3 399.365 3.589 20 0 GHADHM CC1(C)Cc2n[nH]cc2CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000664868556 852858486 /nfs/dbraw/zinc/85/84/86/852858486.db2.gz OPBJBZVLLYFGHW-UHFFFAOYSA-N -1 3 395.488 3.965 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1nc(Cc2ccccc2)no1 ZINC000427244094 852889231 /nfs/dbraw/zinc/88/92/31/852889231.db2.gz BELFEKJCVFYVSN-HNNXBMFYSA-N -1 3 399.516 3.997 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)cnc1C ZINC000427277781 852929170 /nfs/dbraw/zinc/92/91/70/852929170.db2.gz TXKDLPACTVIBQZ-UHFFFAOYSA-N -1 3 389.260 3.593 20 0 GHADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000507473832 852946081 /nfs/dbraw/zinc/94/60/81/852946081.db2.gz BUSRPWDSMIDMLA-ONGXEEELSA-N -1 3 387.324 3.507 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nccn2-c2ccccc2)sc1Cl ZINC000516799163 853020146 /nfs/dbraw/zinc/02/01/46/853020146.db2.gz LPOXPZZZYJFJJA-GFCCVEGCSA-N -1 3 381.910 3.935 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H]1OCCc2sccc21 ZINC000490522466 853071543 /nfs/dbraw/zinc/07/15/43/853071543.db2.gz YYBVKTIBRYCBMP-VFZGTOFNSA-N -1 3 375.874 3.521 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H]1OCCc2sccc21 ZINC000490522464 853071924 /nfs/dbraw/zinc/07/19/24/853071924.db2.gz YYBVKTIBRYCBMP-PSLIRLAXSA-N -1 3 375.874 3.521 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1OC ZINC000507619213 853113470 /nfs/dbraw/zinc/11/34/70/853113470.db2.gz VFZMGLBEKANQMS-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)c(C)c1C ZINC000507640126 853119982 /nfs/dbraw/zinc/11/99/82/853119982.db2.gz ZMLNDOWVLUNSRZ-UHFFFAOYSA-N -1 3 377.506 3.791 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2OCCc3sccc32)sc1Cl ZINC000490618806 853140185 /nfs/dbraw/zinc/14/01/85/853140185.db2.gz JRGANJCHBXJXFH-RNCFNFMXSA-N -1 3 377.940 3.752 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CN(C)C)c(Cl)c3)ccc2O1 ZINC000481867682 862432410 /nfs/dbraw/zinc/43/24/10/862432410.db2.gz MRTSUEYFUWHTLH-LBPRGKRZSA-N -1 3 380.897 3.526 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N(CC1CCC1)c1ccccc1 ZINC000438981622 853157622 /nfs/dbraw/zinc/15/76/22/853157622.db2.gz CMBMXONTNJNQGJ-UHFFFAOYSA-N -1 3 398.937 3.513 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439024148 853193579 /nfs/dbraw/zinc/19/35/79/853193579.db2.gz ZAEVFLLNTBPHGM-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518346708 853225362 /nfs/dbraw/zinc/22/53/62/853225362.db2.gz WKQNNYVKAPJKBH-UHFFFAOYSA-N -1 3 384.443 3.565 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518346708 853225374 /nfs/dbraw/zinc/22/53/74/853225374.db2.gz WKQNNYVKAPJKBH-UHFFFAOYSA-N -1 3 384.443 3.565 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)c([O-])c1 ZINC000490788967 853261847 /nfs/dbraw/zinc/26/18/47/853261847.db2.gz CQEQRGWGJLISCQ-GTNSWQLSSA-N -1 3 375.446 3.519 20 0 GHADHM Cn1nc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)cc1C1CC1 ZINC000439155395 853364761 /nfs/dbraw/zinc/36/47/61/853364761.db2.gz PPEHYECMESOLHP-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cnc(-c2ccccn2)s1 ZINC000518471954 853387708 /nfs/dbraw/zinc/38/77/08/853387708.db2.gz YBWRGAMKORPQKM-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1cncs1 ZINC000439200484 853413963 /nfs/dbraw/zinc/41/39/63/853413963.db2.gz PAOOSRCHNMEJRP-LURJTMIESA-N -1 3 399.694 3.738 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000519705898 853415438 /nfs/dbraw/zinc/41/54/38/853415438.db2.gz OXNGAHRUWIGDAX-NSHDSACASA-N -1 3 385.386 3.672 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)n2cccn2)cc1 ZINC000518704717 853667283 /nfs/dbraw/zinc/66/72/83/853667283.db2.gz ADSBIWARBMKTJJ-MRXNPFEDSA-N -1 3 398.488 3.500 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1OC ZINC000437927011 853690983 /nfs/dbraw/zinc/69/09/83/853690983.db2.gz OLVBEVNXVOMNRL-UHFFFAOYSA-N -1 3 383.514 3.501 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000571031857 853697108 /nfs/dbraw/zinc/69/71/08/853697108.db2.gz OTPRELDQCDLDFD-SFHVURJKSA-N -1 3 380.492 3.573 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000571033805 853699125 /nfs/dbraw/zinc/69/91/25/853699125.db2.gz YMPQQUJGHLHZMV-RDJZCZTQSA-N -1 3 393.409 3.813 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440980549 853792112 /nfs/dbraw/zinc/79/21/12/853792112.db2.gz NDGWLXLRHNZPPO-INIZCTEOSA-N -1 3 398.356 3.943 20 0 GHADHM COCc1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c(-c2ccccc2)s1 ZINC000441040712 853845506 /nfs/dbraw/zinc/84/55/06/853845506.db2.gz AZUPUZADXUYVBQ-UHFFFAOYSA-N -1 3 399.863 3.905 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccncc3Oc3ccccc3)nc21 ZINC000441050065 853871753 /nfs/dbraw/zinc/87/17/53/853871753.db2.gz KRGWKQFCNRNMSN-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)CCCN2)c1ccc(F)cc1C(F)(F)F ZINC000520229386 853975781 /nfs/dbraw/zinc/97/57/81/853975781.db2.gz OLLQZIZWXKKISV-UHFFFAOYSA-N -1 3 388.386 3.681 20 0 GHADHM C[C@H](CC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000112689947 854292301 /nfs/dbraw/zinc/29/23/01/854292301.db2.gz FNOUJKHHYVMUHX-CYBMUJFWSA-N -1 3 376.453 3.545 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000047034995 854307463 /nfs/dbraw/zinc/30/74/63/854307463.db2.gz ZBAIPWVAZDDFMV-CJNGLKHVSA-N -1 3 393.915 3.984 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN([C@@H](C)c4cccnc4)CC3)c2c1 ZINC000572043422 854341860 /nfs/dbraw/zinc/34/18/60/854341860.db2.gz JEDDLEROIHCZNO-INIZCTEOSA-N -1 3 376.460 3.520 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccccc3F)nc(=O)c2c1C ZINC000229938394 862556023 /nfs/dbraw/zinc/55/60/23/862556023.db2.gz SYBRICLTWNIGTL-JXMROGBWSA-N -1 3 378.812 3.956 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1 ZINC000481968675 862562535 /nfs/dbraw/zinc/56/25/35/862562535.db2.gz BAXFMVXUUXHQMX-UHFFFAOYSA-N -1 3 395.452 3.583 20 0 GHADHM COc1cccc2c1CCN(CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC000572370965 854491833 /nfs/dbraw/zinc/49/18/33/854491833.db2.gz HSDTVDRHGOYOQC-UHFFFAOYSA-N -1 3 375.852 3.526 20 0 GHADHM CCc1ncc(CN[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000623996014 862573115 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CC(C)c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1 ZINC000042787396 856434698 /nfs/dbraw/zinc/43/46/98/856434698.db2.gz PEHMCKKLHWPNJW-UHFFFAOYSA-N -1 3 383.502 3.981 20 0 GHADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000138311672 856479180 /nfs/dbraw/zinc/47/91/80/856479180.db2.gz ODAXNEFAVUNVIQ-ZIAGYGMSSA-N -1 3 376.453 3.640 20 0 GHADHM C[C@H]1CC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H](C)C1 ZINC000172594772 856496328 /nfs/dbraw/zinc/49/63/28/856496328.db2.gz YGSZENCJTHAESR-GHMZBOCLSA-N -1 3 377.282 3.845 20 0 GHADHM COCCN(C(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000472209875 856537250 /nfs/dbraw/zinc/53/72/50/856537250.db2.gz GYEJYCDHNSTMFV-UHFFFAOYSA-N -1 3 381.428 3.856 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)c1 ZINC000172674942 856538230 /nfs/dbraw/zinc/53/82/30/856538230.db2.gz FQPNBHYDACBXTP-UHFFFAOYSA-N -1 3 376.547 3.653 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(F)c(F)cc1Br ZINC000441811476 856556492 /nfs/dbraw/zinc/55/64/92/856556492.db2.gz FMEGDMZHUPRRNP-UHFFFAOYSA-N -1 3 378.176 3.792 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000043996989 856618374 /nfs/dbraw/zinc/61/83/74/856618374.db2.gz ZTZOJUPCUYPJOY-UHFFFAOYSA-N -1 3 396.350 3.576 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000043996989 856618382 /nfs/dbraw/zinc/61/83/82/856618382.db2.gz ZTZOJUPCUYPJOY-UHFFFAOYSA-N -1 3 396.350 3.576 20 0 GHADHM C[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135646 856673811 /nfs/dbraw/zinc/67/38/11/856673811.db2.gz QXLXPGHKSRYBKB-ZFWWWQNUSA-N -1 3 397.475 3.881 20 0 GHADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135644 856674008 /nfs/dbraw/zinc/67/40/08/856674008.db2.gz QXLXPGHKSRYBKB-HIFRSBDPSA-N -1 3 397.475 3.881 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(NC3CCCC3)c2)c([O-])c1 ZINC000605180731 862826870 /nfs/dbraw/zinc/82/68/70/862826870.db2.gz OAVALXLEGKOMCU-UHFFFAOYSA-N -1 3 381.476 3.814 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC(C)C)ccc2C)cc1 ZINC000045470565 856731031 /nfs/dbraw/zinc/73/10/31/856731031.db2.gz IVINACDHAWPGKM-UHFFFAOYSA-N -1 3 390.505 3.532 20 0 GHADHM Cc1cc(Br)ccc1Cc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436941958 856814284 /nfs/dbraw/zinc/81/42/84/856814284.db2.gz HBOHLRGOOWRHPQ-UHFFFAOYSA-N -1 3 389.205 3.833 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(F)c1F ZINC000482234615 862838796 /nfs/dbraw/zinc/83/87/96/862838796.db2.gz YJPJGDOBFSRRPC-VIFPVBQESA-N -1 3 395.207 3.680 20 0 GHADHM O=c1cc(-c2nc(Cc3cccc(F)c3Br)no2)nc(C2CC2)[n-]1 ZINC000906136988 856861565 /nfs/dbraw/zinc/86/15/65/856861565.db2.gz DRDRIQYUHUASRL-UHFFFAOYSA-N -1 3 391.200 3.602 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485668405 856904149 /nfs/dbraw/zinc/90/41/49/856904149.db2.gz LXAYSCSWTIKPDQ-HZPDHXFCSA-N -1 3 385.464 3.680 20 0 GHADHM CCOc1ccccc1N1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1 ZINC000007224980 856910270 /nfs/dbraw/zinc/91/02/70/856910270.db2.gz DWPMKANPPXHPFL-UHFFFAOYSA-N -1 3 394.471 3.528 20 0 GHADHM O=C(CCc1ccc(Br)cc1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000063337597 856941188 /nfs/dbraw/zinc/94/11/88/856941188.db2.gz ZGSLOJRHJISGSA-UHFFFAOYSA-N -1 3 379.189 3.538 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c(C(=O)OCC)[n-]1 ZINC000485706885 856957694 /nfs/dbraw/zinc/95/76/94/856957694.db2.gz BQGOKWNFIZTXFH-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)ccc1F ZINC000508125139 856960334 /nfs/dbraw/zinc/96/03/34/856960334.db2.gz MIGSWCSCUJJLEV-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000733318189 862857221 /nfs/dbraw/zinc/85/72/21/862857221.db2.gz ZGGPEVRRZPRQNM-OUJBWJOFSA-N -1 3 394.306 3.700 20 0 GHADHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000675224301 857093462 /nfs/dbraw/zinc/09/34/62/857093462.db2.gz AZIZYFBDHUOLMK-LJQANCHMSA-N -1 3 392.463 3.569 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000026874826 857174299 /nfs/dbraw/zinc/17/42/99/857174299.db2.gz UOWIHWCADMJSPA-ONGXEEELSA-N -1 3 396.734 3.968 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cc(COC(C)(C)C)on1 ZINC000485916109 857208251 /nfs/dbraw/zinc/20/82/51/857208251.db2.gz ACJQRDWUBYBJTC-UHFFFAOYSA-N -1 3 396.440 3.662 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H](C)C1 ZINC000112955400 857236256 /nfs/dbraw/zinc/23/62/56/857236256.db2.gz UHHRVPLBRVQFTB-XJKCOSOUSA-N -1 3 393.484 3.509 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000485964994 857258089 /nfs/dbraw/zinc/25/80/89/857258089.db2.gz GTTRHJGAQRMIOD-LLVKDONJSA-N -1 3 399.365 3.842 20 0 GHADHM COc1ccc([C@H]2NC(=O)c3cc(Cl)ccc3N2)c(Br)c1[O-] ZINC000761008892 857258223 /nfs/dbraw/zinc/25/82/23/857258223.db2.gz BOOWAMHFBGMPNP-CQSZACIVSA-N -1 3 383.629 3.671 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000574184208 857263509 /nfs/dbraw/zinc/26/35/09/857263509.db2.gz HXANZSFRIYTDSN-AWEZNQCLSA-N -1 3 378.252 3.535 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc(F)c(Cl)cc1Cl ZINC000143947541 857380939 /nfs/dbraw/zinc/38/09/39/857380939.db2.gz BNNVVBKDACEIGZ-ZETCQYMHSA-N -1 3 396.205 3.899 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(CCCO)Cc2ccccc2)s1 ZINC000907056526 857451309 /nfs/dbraw/zinc/45/13/09/857451309.db2.gz MYAZVQRNRASLNP-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000130709510 857534812 /nfs/dbraw/zinc/53/48/12/857534812.db2.gz MLTMLXXJLNAJCF-GCJKJVERSA-N -1 3 383.513 3.768 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000171867769 862930766 /nfs/dbraw/zinc/93/07/66/862930766.db2.gz MXOSBOGYBWWUCB-JTQLQIEISA-N -1 3 393.336 3.552 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C)c1 ZINC000442200627 857613616 /nfs/dbraw/zinc/61/36/16/857613616.db2.gz MCWMZVWNHMJBBR-OAQYLSRUSA-N -1 3 386.455 3.513 20 0 GHADHM CCC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccn1 ZINC000675816824 857623002 /nfs/dbraw/zinc/62/30/02/857623002.db2.gz LVLBINDUPADGNF-HNNXBMFYSA-N -1 3 378.270 3.890 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000181601059 862935647 /nfs/dbraw/zinc/93/56/47/862935647.db2.gz RVDPAGIZLVHGMB-BXUZGUMPSA-N -1 3 378.302 3.863 20 0 GHADHM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccn1 ZINC000521159572 857682837 /nfs/dbraw/zinc/68/28/37/857682837.db2.gz ADFTVZYGQSQZOI-HNNXBMFYSA-N -1 3 379.460 3.667 20 0 GHADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482328395 862949927 /nfs/dbraw/zinc/94/99/27/862949927.db2.gz HSNKBCHQNJSSTD-GTNSWQLSSA-N -1 3 375.266 3.887 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000065771577 857847872 /nfs/dbraw/zinc/84/78/72/857847872.db2.gz CQHPQWGSILSLLS-AWEZNQCLSA-N -1 3 387.848 3.582 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000486602519 857904870 /nfs/dbraw/zinc/90/48/70/857904870.db2.gz YMBSIPOBGDHXET-QGZVFWFLSA-N -1 3 387.423 3.675 20 0 GHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1 ZINC000574669159 858113051 /nfs/dbraw/zinc/11/30/51/858113051.db2.gz MAPHTLKCHIUSAR-UHFFFAOYSA-N -1 3 397.452 3.706 20 0 GHADHM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442769236 858129293 /nfs/dbraw/zinc/12/92/93/858129293.db2.gz VFDRSNIUHLYTSW-LBPRGKRZSA-N -1 3 390.452 3.868 20 0 GHADHM O=C(Nc1ccc2ccoc2c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000442934634 858241107 /nfs/dbraw/zinc/24/11/07/858241107.db2.gz PUIXTBXYLMPTCK-UHFFFAOYSA-N -1 3 399.403 3.953 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)c1 ZINC000594694951 858257268 /nfs/dbraw/zinc/25/72/68/858257268.db2.gz CXRQOLTTWHTMLP-NSHDSACASA-N -1 3 399.415 3.730 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 ZINC000594775784 858278150 /nfs/dbraw/zinc/27/81/50/858278150.db2.gz ZSCILJJOQCLKGV-UHFFFAOYSA-N -1 3 387.288 3.689 20 0 GHADHM Cc1ccc(-n2nc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c3c2CCCC3)cc1 ZINC000594861421 858297093 /nfs/dbraw/zinc/29/70/93/858297093.db2.gz TUXMCODIQCRYAZ-UHFFFAOYSA-N -1 3 398.470 3.519 20 0 GHADHM COc1cc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc(Cl)c1[O-] ZINC000682372294 858314856 /nfs/dbraw/zinc/31/48/56/858314856.db2.gz BXXICJCAQUMNPV-UHFFFAOYSA-N -1 3 388.895 3.711 20 0 GHADHM O=C([O-])c1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000574917254 858400778 /nfs/dbraw/zinc/40/07/78/858400778.db2.gz ZHNHBOHNJXXBFZ-LJQANCHMSA-N -1 3 392.377 3.778 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000443137065 858410986 /nfs/dbraw/zinc/41/09/86/858410986.db2.gz SHUCUZYNJFTNLG-CABCVRRESA-N -1 3 388.895 3.789 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl)c2[O-] ZINC000508416124 858465851 /nfs/dbraw/zinc/46/58/51/858465851.db2.gz ZIXAFJQBANFMLA-OAHLLOKOSA-N -1 3 398.894 3.955 20 0 GHADHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443314281 858555816 /nfs/dbraw/zinc/55/58/16/858555816.db2.gz QQLRFSAVYNZMKN-LBPRGKRZSA-N -1 3 388.942 3.541 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(C)(C)C ZINC000443340567 858584685 /nfs/dbraw/zinc/58/46/85/858584685.db2.gz ALVUGQXERKJVKI-GOSISDBHSA-N -1 3 393.480 3.986 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000443352086 858593999 /nfs/dbraw/zinc/59/39/99/858593999.db2.gz PNSFFJUYKMEDHL-LBPRGKRZSA-N -1 3 387.935 3.937 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1ccc(F)c(F)c1 ZINC000575207680 858603852 /nfs/dbraw/zinc/60/38/52/858603852.db2.gz KRJAESDKAMUZAU-UHFFFAOYSA-N -1 3 396.166 3.931 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC[C@H]1O ZINC000443375109 858615718 /nfs/dbraw/zinc/61/57/18/858615718.db2.gz NGXPRZKTQKSXLK-KGLIPLIRSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121080428 858628267 /nfs/dbraw/zinc/62/82/67/858628267.db2.gz GYUPNSCVZLXHDR-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121080428 858628270 /nfs/dbraw/zinc/62/82/70/858628270.db2.gz GYUPNSCVZLXHDR-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CCOCc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000543165142 858719970 /nfs/dbraw/zinc/71/99/70/858719970.db2.gz RBDSPGWFUQKJSF-UHFFFAOYSA-N -1 3 390.436 3.959 20 0 GHADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000443501435 858838699 /nfs/dbraw/zinc/83/86/99/858838699.db2.gz MPNQFLCYPJRONQ-CQSZACIVSA-N -1 3 385.888 3.560 20 0 GHADHM C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)S(=O)(=O)c1cccc([O-])c1 ZINC000184001359 858857160 /nfs/dbraw/zinc/85/71/60/858857160.db2.gz KUCURDWWCGYNBB-LLVKDONJSA-N -1 3 378.837 3.554 20 0 GHADHM CO[C@@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCOC1 ZINC000596325874 858859436 /nfs/dbraw/zinc/85/94/36/858859436.db2.gz OSTFHJMBXJQOIX-RISCZKNCSA-N -1 3 392.502 3.942 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc(Oc2ccccc2)cc1 ZINC000482925849 858982205 /nfs/dbraw/zinc/98/22/05/858982205.db2.gz IFZJEDBEMIVEMX-UHFFFAOYSA-N -1 3 391.353 3.615 20 0 GHADHM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000923097250 859020037 /nfs/dbraw/zinc/02/00/37/859020037.db2.gz YDOHBABHAXPWAW-CQSZACIVSA-N -1 3 376.453 3.745 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000482985111 859033898 /nfs/dbraw/zinc/03/38/98/859033898.db2.gz PWAIVHHAJJUHKU-UHFFFAOYSA-N -1 3 387.793 3.746 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1cccnc1-n1cccn1 ZINC000194563333 859038319 /nfs/dbraw/zinc/03/83/19/859038319.db2.gz AVZHBRKVHARLFQ-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM O=c1[n-]c(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)nc2c3ccccc3oc21 ZINC000120322433 881380533 /nfs/dbraw/zinc/38/05/33/881380533.db2.gz NIJOZDKAWLIPAR-OAHLLOKOSA-N -1 3 395.846 3.976 20 0 GHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)cc2F)c1 ZINC000466339538 859153582 /nfs/dbraw/zinc/15/35/82/859153582.db2.gz GVDVTXLDSNQBKI-UHFFFAOYSA-N -1 3 397.378 3.722 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)N(C)C)cc1 ZINC000499713231 859194788 /nfs/dbraw/zinc/19/47/88/859194788.db2.gz JGRBRNUGSBIXQZ-QGZVFWFLSA-N -1 3 391.309 3.750 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C)c4ccccc43)nc(=O)c2c1C ZINC000194236612 859249144 /nfs/dbraw/zinc/24/91/44/859249144.db2.gz LBPMZVJCHYITMB-LLVKDONJSA-N -1 3 383.473 3.593 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000509397609 859314077 /nfs/dbraw/zinc/31/40/77/859314077.db2.gz VPCPRBYESVKIOF-UHFFFAOYSA-N -1 3 386.273 3.642 20 0 GHADHM Cc1ccn(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(=O)c1 ZINC000194938781 859333129 /nfs/dbraw/zinc/33/31/29/859333129.db2.gz JFKRTGLWNQQVJZ-UHFFFAOYSA-N -1 3 391.452 3.778 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000543671600 859338237 /nfs/dbraw/zinc/33/82/37/859338237.db2.gz QMWXKDNFUAHDOI-NSHDSACASA-N -1 3 379.532 3.657 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000195564111 859390275 /nfs/dbraw/zinc/39/02/75/859390275.db2.gz JNHNASJHZVTHRG-HUUCEWRRSA-N -1 3 382.460 3.771 20 0 GHADHM CN(C[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000764438630 859449984 /nfs/dbraw/zinc/44/99/84/859449984.db2.gz PIOXRMCHDQRACE-CYBMUJFWSA-N -1 3 382.888 3.765 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000483567405 859455072 /nfs/dbraw/zinc/45/50/72/859455072.db2.gz NLXSVLJUWBQRIQ-UHFFFAOYSA-N -1 3 393.369 3.637 20 0 GHADHM O=C([O-])[C@H]1CN(CCOc2cccc(Br)c2)Cc2ccccc21 ZINC000321361321 859507691 /nfs/dbraw/zinc/50/76/91/859507691.db2.gz SYXBWPCYKAABOH-KRWDZBQOSA-N -1 3 376.250 3.512 20 0 GHADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 ZINC000012068284 859595966 /nfs/dbraw/zinc/59/59/66/859595966.db2.gz ICHIRUSFOLQIDQ-UHFFFAOYSA-N -1 3 386.517 3.939 20 0 GHADHM C[C@H](NC(=O)CCc1ccc2ccccc2c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506084 859613653 /nfs/dbraw/zinc/61/36/53/859613653.db2.gz ZRJXCYADELKLAR-HOTGVXAUSA-N -1 3 391.471 3.653 20 0 GHADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000060602898 859632890 /nfs/dbraw/zinc/63/28/90/859632890.db2.gz SXMPEYIDNALBBV-GOSISDBHSA-N -1 3 394.500 3.565 20 0 GHADHM CC[C@@H](C(=O)OC(C)(C)C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000483934469 859706657 /nfs/dbraw/zinc/70/66/57/859706657.db2.gz PDSKUNARMNXXBW-INIZCTEOSA-N -1 3 396.915 3.816 20 0 GHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC1CCCC1)c1ccccc1 ZINC000443732420 859968623 /nfs/dbraw/zinc/96/86/23/859968623.db2.gz JIIAEGNSDPGHLG-OAHLLOKOSA-N -1 3 394.518 3.530 20 0 GHADHM O=C(Nc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000436531644 860017236 /nfs/dbraw/zinc/01/72/36/860017236.db2.gz FQELXTDPOQGXHP-UHFFFAOYSA-N -1 3 382.397 3.687 20 0 GHADHM COC[C@@H](NCc1ccc(Br)cc1Oc1ccc(C)cc1)C(=O)[O-] ZINC000904018268 860028955 /nfs/dbraw/zinc/02/89/55/860028955.db2.gz NAOAMYGPBJFCMP-MRXNPFEDSA-N -1 3 394.265 3.739 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)c(F)c1F ZINC000624899136 860033652 /nfs/dbraw/zinc/03/36/52/860033652.db2.gz NUSMNTMXPKSKQM-DNVCBOLYSA-N -1 3 381.444 3.719 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000436543256 860039954 /nfs/dbraw/zinc/03/99/54/860039954.db2.gz HBXYAVFAEYVPNJ-AWEZNQCLSA-N -1 3 377.849 3.705 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(Br)ccc2Cl)c2ccccc21 ZINC000727352106 860049568 /nfs/dbraw/zinc/04/95/68/860049568.db2.gz VWWXAGPXMNGRAV-WQLSENKSSA-N -1 3 377.625 3.826 20 0 GHADHM Cc1cc(Br)cc(CN[C@H]2C=CC[C@H](C(=O)[O-])C2)c1OC(F)F ZINC000904035184 860054005 /nfs/dbraw/zinc/05/40/05/860054005.db2.gz HDDPCSQRPGDEHT-GWCFXTLKSA-N -1 3 390.224 3.868 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000436558915 860080044 /nfs/dbraw/zinc/08/00/44/860080044.db2.gz RNRMWMYIZJSMNZ-CQSZACIVSA-N -1 3 390.233 3.861 20 0 GHADHM Cc1ccc(OCCC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000428869346 860094016 /nfs/dbraw/zinc/09/40/16/860094016.db2.gz CTSUJTKXQVAQFJ-UHFFFAOYSA-N -1 3 378.266 3.857 20 0 GHADHM COC(=O)c1cnc(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)[n-]1 ZINC000484552731 860111564 /nfs/dbraw/zinc/11/15/64/860111564.db2.gz BAJHNGPXGCSMIS-UHFFFAOYSA-N -1 3 397.500 3.832 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527154912 860169884 /nfs/dbraw/zinc/16/98/84/860169884.db2.gz LTAMPOSNACBCRR-UHFFFAOYSA-N -1 3 376.456 3.907 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)c1Cl ZINC000751438022 860215434 /nfs/dbraw/zinc/21/54/34/860215434.db2.gz URQFYXLPDQZREI-NSHDSACASA-N -1 3 380.318 3.765 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCC(COc4ccccc4)CC3)o2)CC1 ZINC000904190503 860216183 /nfs/dbraw/zinc/21/61/83/860216183.db2.gz ASIKKJYGAYYLJQ-UHFFFAOYSA-N -1 3 398.503 3.872 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(CC)CC ZINC000904220250 860242284 /nfs/dbraw/zinc/24/22/84/860242284.db2.gz OOFUACPSMVMOCP-QZTJIDSGSA-N -1 3 378.513 3.654 20 0 GHADHM O=C(N[C@@H]1CCc2ccccc2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736016 860243540 /nfs/dbraw/zinc/24/35/40/860243540.db2.gz SFLGXVJVOLBIED-OAHLLOKOSA-N -1 3 397.272 3.578 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCC[C@H](C(F)(F)F)O3)nc2)n1 ZINC000896033576 860274549 /nfs/dbraw/zinc/27/45/49/860274549.db2.gz LFKQLKYNLUNAKR-UONOGXRCSA-N -1 3 382.386 3.719 20 0 GHADHM CN(CCc1cccc(Br)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000428900025 860274573 /nfs/dbraw/zinc/27/45/73/860274573.db2.gz ALKQMRREAHQGRF-UHFFFAOYSA-N -1 3 385.261 3.605 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000474571510 860379082 /nfs/dbraw/zinc/37/90/82/860379082.db2.gz AROISQIWSOYAPE-UHFFFAOYSA-N -1 3 387.490 3.973 20 0 GHADHM C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000015898026 860572452 /nfs/dbraw/zinc/57/24/52/860572452.db2.gz LJFLCYZDDIYWOK-ZZXKWVIFSA-N -1 3 380.853 3.664 20 0 GHADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2c(C)cccc2[O-])CC1)c1ccccc1 ZINC000624985818 860618794 /nfs/dbraw/zinc/61/87/94/860618794.db2.gz FBEPMMHSUUTKCE-LJQANCHMSA-N -1 3 380.488 3.615 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000840512662 860651907 /nfs/dbraw/zinc/65/19/07/860651907.db2.gz NVVJXQZCLPWSQY-UHFFFAOYSA-N -1 3 398.688 3.960 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)s1 ZINC001127194542 860694718 /nfs/dbraw/zinc/69/47/18/860694718.db2.gz XEKMAOOISSLURH-UHFFFAOYSA-N -1 3 397.243 3.822 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000625072271 860817440 /nfs/dbraw/zinc/81/74/40/860817440.db2.gz UDRSVVXUJBTOEG-UHFFFAOYSA-N -1 3 391.471 3.750 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(F)cc1F ZINC000555414493 860862487 /nfs/dbraw/zinc/86/24/87/860862487.db2.gz RYBGTEQDYZRAPI-LBPRGKRZSA-N -1 3 395.406 3.638 20 0 GHADHM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000329048382 860976531 /nfs/dbraw/zinc/97/65/31/860976531.db2.gz GJYWPLYDCBEXTJ-BXUZGUMPSA-N -1 3 379.309 3.805 20 0 GHADHM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364966 861073269 /nfs/dbraw/zinc/07/32/69/861073269.db2.gz RLRYLALWTMQAIE-LLVKDONJSA-N -1 3 392.249 3.901 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000730364416 861075604 /nfs/dbraw/zinc/07/56/04/861075604.db2.gz KZZCWKBGWLRDKV-BLLLJJGKSA-N -1 3 398.297 3.737 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3cc(F)cc(F)c3)cc2)cc(=O)[n-]1 ZINC000623454762 861082568 /nfs/dbraw/zinc/08/25/68/861082568.db2.gz MLZZNVJAZSOLEJ-UHFFFAOYSA-N -1 3 384.386 3.800 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000623517129 861149910 /nfs/dbraw/zinc/14/99/10/861149910.db2.gz SBLDMLBZZYCRNW-OAHLLOKOSA-N -1 3 381.501 3.829 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000157167359 861152465 /nfs/dbraw/zinc/15/24/65/861152465.db2.gz MBDFVGRTBSOCHC-UHFFFAOYSA-N -1 3 394.471 3.659 20 0 GHADHM Cc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1C ZINC000007428409 863109393 /nfs/dbraw/zinc/10/93/93/863109393.db2.gz ZYYOPKGRJSJYMZ-UHFFFAOYSA-N -1 3 379.791 3.676 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc(Cl)cn3)nc(=O)c2c1C ZINC000792704569 881631867 /nfs/dbraw/zinc/63/18/67/881631867.db2.gz KTRFUMIMRUTJOI-VIFPVBQESA-N -1 3 377.853 3.909 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1 ZINC000605654805 863217405 /nfs/dbraw/zinc/21/74/05/863217405.db2.gz CMQKBYYWSLYKIU-UHFFFAOYSA-N -1 3 391.489 3.692 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc(Cl)c2O1 ZINC000522882393 863648715 /nfs/dbraw/zinc/64/87/15/863648715.db2.gz ZWPDSNSADUEQFY-LLVKDONJSA-N -1 3 379.865 3.789 20 0 GHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606472902 863654308 /nfs/dbraw/zinc/65/43/08/863654308.db2.gz FDEPBYQIIVBDLV-WMLDXEAASA-N -1 3 397.541 3.889 20 0 GHADHM Cn1cc(CN[C@H](CSCc2cccc3ccccc32)C(=O)[O-])c(Cl)n1 ZINC000856721250 881686711 /nfs/dbraw/zinc/68/67/11/881686711.db2.gz FMASVHYDZNXMCV-QGZVFWFLSA-N -1 3 389.908 3.703 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000444217306 863691483 /nfs/dbraw/zinc/69/14/83/863691483.db2.gz WLIDMLDHTCQFHY-HDICACEKSA-N -1 3 388.533 3.713 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC2(CCC2)C1 ZINC000158820389 863960226 /nfs/dbraw/zinc/96/02/26/863960226.db2.gz GODOTKBMAPNMDU-UHFFFAOYSA-N -1 3 388.464 3.643 20 0 GHADHM Cc1ccc([O-])c(CN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000158840591 863965613 /nfs/dbraw/zinc/96/56/13/863965613.db2.gz HBOYRVCCLPMRIL-UHFFFAOYSA-N -1 3 391.471 3.783 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1OC ZINC000158876252 863976820 /nfs/dbraw/zinc/97/68/20/863976820.db2.gz NTVRIDMSMVTLLZ-UHFFFAOYSA-N -1 3 382.457 3.772 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000734107823 863996871 /nfs/dbraw/zinc/99/68/71/863996871.db2.gz CBAAODVMQOAMLX-OAHLLOKOSA-N -1 3 398.544 3.801 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1nc2ccccc2s1 ZINC000734156505 864060068 /nfs/dbraw/zinc/06/00/68/864060068.db2.gz PPLBUTIOVYXTIL-QMMMGPOBSA-N -1 3 398.922 3.698 20 0 GHADHM CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)N(C)C)cc1 ZINC000071891436 864097977 /nfs/dbraw/zinc/09/79/77/864097977.db2.gz SGWXHZZTBAZHIO-SFHVURJKSA-N -1 3 396.516 3.593 20 0 GHADHM O=C(Cc1c[nH]c2cccc(Br)c12)[N-]OCc1ccc(F)cc1 ZINC000184170506 864165004 /nfs/dbraw/zinc/16/50/04/864165004.db2.gz LUVQTNLFFRSIAS-UHFFFAOYSA-N -1 3 377.213 3.860 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2ccc(Cl)cc2Cl)[nH][n-]1 ZINC000621529481 864226597 /nfs/dbraw/zinc/22/65/97/864226597.db2.gz DMTQFXWLGPFDEO-UHFFFAOYSA-N -1 3 376.243 3.995 20 0 GHADHM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184234094 864268177 /nfs/dbraw/zinc/26/81/77/864268177.db2.gz UNNNPGDFDXECFN-DHZHZOJOSA-N -1 3 378.837 3.709 20 0 GHADHM CCCNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000007505501 864289934 /nfs/dbraw/zinc/28/99/34/864289934.db2.gz WIVSNFIUFCDTQH-UHFFFAOYSA-N -1 3 393.534 3.501 20 0 GHADHM CCN(Cc1cc(Br)ccc1F)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554421406 864301236 /nfs/dbraw/zinc/30/12/36/864301236.db2.gz XEWPRPWLMFPELE-UHFFFAOYSA-N -1 3 391.244 3.712 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000104609778 864347679 /nfs/dbraw/zinc/34/76/79/864347679.db2.gz GWNLKHQDFIIEMA-SUMWQHHRSA-N -1 3 376.453 3.545 20 0 GHADHM COc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000058871812 881755950 /nfs/dbraw/zinc/75/59/50/881755950.db2.gz YKUCDJSLZGRQKN-UHFFFAOYSA-N -1 3 382.420 3.961 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000554534514 864493239 /nfs/dbraw/zinc/49/32/39/864493239.db2.gz WPHIQHHGPLPKHA-QGZVFWFLSA-N -1 3 388.431 3.565 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000192790950 864500143 /nfs/dbraw/zinc/50/01/43/864500143.db2.gz VFWZLYHTGPHHEM-NHYWBVRUSA-N -1 3 396.260 3.527 20 0 GHADHM COc1cc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc(OC)c1[O-] ZINC000163409014 864510225 /nfs/dbraw/zinc/51/02/25/864510225.db2.gz BBXRARLQQKTOKK-LJQANCHMSA-N -1 3 392.455 3.827 20 0 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GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000167605448 864786809 /nfs/dbraw/zinc/78/68/09/864786809.db2.gz UJLBDIPBSXANRH-MFKMUULPSA-N -1 3 389.370 3.688 20 0 GHADHM CO[C@@](C)(CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)COCc1ccccc1 ZINC000622143717 864806651 /nfs/dbraw/zinc/80/66/51/864806651.db2.gz GLZHUUGCZDEQTD-IBGZPJMESA-N -1 3 397.393 3.763 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(O[C@H](C)c3ccccc3)ccn2)c(=O)[n-]1 ZINC000622161254 864817853 /nfs/dbraw/zinc/81/78/53/864817853.db2.gz QWHQETPUAHATKI-OAHLLOKOSA-N -1 3 392.459 3.905 20 0 GHADHM O=C(NCc1ccccc1)c1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000735651492 864903867 /nfs/dbraw/zinc/90/38/67/864903867.db2.gz ZJMDIJUPGSAKDO-UHFFFAOYSA-N -1 3 398.422 3.518 20 0 GHADHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000396361610 864934036 /nfs/dbraw/zinc/93/40/36/864934036.db2.gz LQEKUUJVGOUURI-UHFFFAOYSA-N -1 3 384.723 3.584 20 0 GHADHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000608031428 864935802 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CCc1ccc([O-])c(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 ZINC000608392706 865307782 /nfs/dbraw/zinc/30/77/82/865307782.db2.gz OPMPNHZRIGOWBC-CQSZACIVSA-N -1 3 386.879 3.830 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1OC ZINC000614736892 865338085 /nfs/dbraw/zinc/33/80/85/865338085.db2.gz QFYZUETWNAJYKR-UHFFFAOYSA-N -1 3 379.478 3.930 20 0 GHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000121011808 881862808 /nfs/dbraw/zinc/86/28/08/881862808.db2.gz MFBLDTYSEJEZGL-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1Cl ZINC000171768715 865362970 /nfs/dbraw/zinc/36/29/70/865362970.db2.gz CRTXEHWKEZUFON-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM CC[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000174044759 865365434 /nfs/dbraw/zinc/36/54/34/865365434.db2.gz QPLBXPQYPSNLIW-VNKGSWCUSA-N -1 3 381.379 3.514 20 0 GHADHM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC[C@H]1c1ccccc1 ZINC000608467265 865374095 /nfs/dbraw/zinc/37/40/95/865374095.db2.gz CSQCVGBVIKTHKE-YFVAEKQCSA-N -1 3 392.499 3.649 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)[n-]1 ZINC000193542760 881875326 /nfs/dbraw/zinc/87/53/26/881875326.db2.gz PSUZKEQKNHLDLQ-SFHVURJKSA-N -1 3 389.521 3.925 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc2cccnc21 ZINC000172197437 865519020 /nfs/dbraw/zinc/51/90/20/865519020.db2.gz HLBYVSGEHLOVIG-UHFFFAOYSA-N -1 3 390.848 3.850 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000738295453 865523898 /nfs/dbraw/zinc/52/38/98/865523898.db2.gz YWFQVVKNAPXDPG-DEOSSOPVSA-N -1 3 388.467 3.698 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000738295282 865524075 /nfs/dbraw/zinc/52/40/75/865524075.db2.gz UDYCQKVDAJQDOT-UHFFFAOYSA-N -1 3 392.499 3.515 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000738371114 865532353 /nfs/dbraw/zinc/53/23/53/865532353.db2.gz APRCTIWORLWZDE-UHFFFAOYSA-N -1 3 379.894 3.645 20 0 GHADHM COc1ccc(-n2ccnc2SCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000533983871 865668798 /nfs/dbraw/zinc/66/87/98/865668798.db2.gz KRDZTCYFGLLSDN-UHFFFAOYSA-N -1 3 389.864 3.971 20 0 GHADHM COc1ccc2[nH]cc(CC(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)c2c1 ZINC000622891294 865702041 /nfs/dbraw/zinc/70/20/41/865702041.db2.gz QWLMMNRXLXCCIU-UHFFFAOYSA-N -1 3 380.835 3.823 20 0 GHADHM COc1ccc(C(=O)CCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000622891048 865703072 /nfs/dbraw/zinc/70/30/72/865703072.db2.gz CEOJMBCAHONIRR-UHFFFAOYSA-N -1 3 383.835 3.762 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)c(F)c1 ZINC000481049868 865743924 /nfs/dbraw/zinc/74/39/24/865743924.db2.gz ANRQSOUVXGCMPB-JTQLQIEISA-N -1 3 377.359 3.893 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)COC1CCCC1)c1nc(C2CCCCC2)no1 ZINC000555321878 865920035 /nfs/dbraw/zinc/92/00/35/865920035.db2.gz MZTVQVHPKCFXRR-LSDHHAIUSA-N -1 3 399.557 3.693 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)Cc3ccc(O)cc3)cc2)cc(=O)[n-]1 ZINC000481173508 865959573 /nfs/dbraw/zinc/95/95/73/865959573.db2.gz SGLDXOCIHOEUGQ-CQSZACIVSA-N -1 3 392.459 3.958 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(F)cc1F ZINC000481225576 866053068 /nfs/dbraw/zinc/05/30/68/866053068.db2.gz AOACICVNGVHXDV-PSASIEDQSA-N -1 3 394.262 3.623 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000056138253 866205331 /nfs/dbraw/zinc/20/53/31/866205331.db2.gz JYHQOTNRGNHFHB-IUODEOHRSA-N -1 3 375.874 3.739 20 0 GHADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000475540046 866248210 /nfs/dbraw/zinc/24/82/10/866248210.db2.gz ANAQDNVYQGITGB-UHFFFAOYSA-N -1 3 393.834 3.773 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000179654912 866266062 /nfs/dbraw/zinc/26/60/62/866266062.db2.gz BQRVPLQMHNUEMQ-KGLIPLIRSA-N -1 3 395.297 3.522 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Sc3ccncc3)cc2)c(=O)[n-]1 ZINC000153312348 866348148 /nfs/dbraw/zinc/34/81/48/866348148.db2.gz ADTOSJNFLDWKHE-UHFFFAOYSA-N -1 3 380.473 3.504 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000665804645 866375810 /nfs/dbraw/zinc/37/58/10/866375810.db2.gz VOOVPICWDDPBGN-UHFFFAOYSA-N -1 3 385.489 3.540 20 0 GHADHM COCCOc1ccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000620344522 866673189 /nfs/dbraw/zinc/67/31/89/866673189.db2.gz LYFUXQBFOFLFBC-UHFFFAOYSA-N -1 3 394.431 3.827 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)ccc1F ZINC000741649614 866693163 /nfs/dbraw/zinc/69/31/63/866693163.db2.gz GHAVCBSEAVHFSC-NVXWUHKLSA-N -1 3 396.528 3.601 20 0 GHADHM CN(CC(F)(F)F)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000053368596 866773029 /nfs/dbraw/zinc/77/30/29/866773029.db2.gz ZGIVIKQQPIRDLO-UHFFFAOYSA-N -1 3 380.392 3.534 20 0 GHADHM O=C(CCCc1nc(-c2cccs2)no1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000620494702 866791083 /nfs/dbraw/zinc/79/10/83/866791083.db2.gz MIYXXWZTXMDSDH-UHFFFAOYSA-N -1 3 379.445 3.572 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)c(Cl)n1 ZINC000772828799 882025756 /nfs/dbraw/zinc/02/57/56/882025756.db2.gz RPEOCXUEXORJGT-UHFFFAOYSA-N -1 3 390.273 3.808 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3cccc(F)c3)C2)cc1-c1nnn[n-]1 ZINC000825553416 882033388 /nfs/dbraw/zinc/03/33/88/882033388.db2.gz PWUKTKWJDBRXOL-UHFFFAOYSA-N -1 3 396.426 3.932 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3cccc(F)c3)C2)cc1-c1nn[n-]n1 ZINC000825553416 882033406 /nfs/dbraw/zinc/03/34/06/882033406.db2.gz PWUKTKWJDBRXOL-UHFFFAOYSA-N -1 3 396.426 3.932 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1C(C)C ZINC000189910770 882038531 /nfs/dbraw/zinc/03/85/31/882038531.db2.gz SFGZKAVQIHZKEL-UHFFFAOYSA-N -1 3 378.358 3.693 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1C(C)C ZINC000189910770 882038552 /nfs/dbraw/zinc/03/85/52/882038552.db2.gz SFGZKAVQIHZKEL-UHFFFAOYSA-N -1 3 378.358 3.693 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456718373 867057182 /nfs/dbraw/zinc/05/71/82/867057182.db2.gz KVDKPHYABMPZNY-UHFFFAOYSA-N -1 3 382.410 3.901 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000444710467 867101799 /nfs/dbraw/zinc/10/17/99/867101799.db2.gz VHYFTVCWHUDTRI-UHFFFAOYSA-N -1 3 386.377 3.874 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000153997968 867198323 /nfs/dbraw/zinc/19/83/23/867198323.db2.gz ZZSBGTHAPUDNCS-UHFFFAOYSA-N -1 3 393.216 3.885 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H](c2ccco2)C1 ZINC000133211665 882064612 /nfs/dbraw/zinc/06/46/12/882064612.db2.gz IVYCAMCXFVBVLQ-JOCHJYFZSA-N -1 3 377.440 3.984 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479140474 867261849 /nfs/dbraw/zinc/26/18/49/867261849.db2.gz CYFIOJDIUZVECX-LBPRGKRZSA-N -1 3 386.233 3.767 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(Cc2ccc(F)cc2)CC1 ZINC000640296779 882071504 /nfs/dbraw/zinc/07/15/04/882071504.db2.gz DLJGNLPQZLJYBZ-UHFFFAOYSA-N -1 3 390.768 3.557 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)c(C)o1 ZINC000154279741 867332771 /nfs/dbraw/zinc/33/27/71/867332771.db2.gz CIIRWZFQGRLKGE-GOSISDBHSA-N -1 3 390.505 3.548 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)cc1 ZINC000523459583 867339523 /nfs/dbraw/zinc/33/95/23/867339523.db2.gz LTJRMVPBEQIHHG-UHFFFAOYSA-N -1 3 390.574 3.907 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000428384237 867554261 /nfs/dbraw/zinc/55/42/61/867554261.db2.gz BOKQMULCBJYOBN-LLVKDONJSA-N -1 3 391.798 3.510 20 0 GHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(O)cc1[O-] ZINC000194240630 882099939 /nfs/dbraw/zinc/09/99/39/882099939.db2.gz XDJFXTQIAQURBO-UHFFFAOYSA-N -1 3 395.377 3.595 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)nn1C(F)F ZINC000534885856 867704117 /nfs/dbraw/zinc/70/41/17/867704117.db2.gz OVDXGUBLRZQEJH-UHFFFAOYSA-N -1 3 386.189 3.958 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000743046841 867779356 /nfs/dbraw/zinc/77/93/56/867779356.db2.gz NAECAEGBTHGWOV-ZIAGYGMSSA-N -1 3 378.469 3.549 20 0 GHADHM O=C(c1ccc2ccccc2c1[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC000180748723 867779415 /nfs/dbraw/zinc/77/94/15/867779415.db2.gz ODASYZAYGGRLBC-UHFFFAOYSA-N -1 3 382.504 3.510 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743050276 867786431 /nfs/dbraw/zinc/78/64/31/867786431.db2.gz ZYLCJVJDSASLJK-GFCCVEGCSA-N -1 3 383.901 3.951 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C)c(Cl)cc1Cl ZINC000920462853 882119423 /nfs/dbraw/zinc/11/94/23/882119423.db2.gz FWFQSSOCDFASDE-WDEREUQCSA-N -1 3 393.336 3.695 20 0 GHADHM CCCCC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OC ZINC001126858196 867893358 /nfs/dbraw/zinc/89/33/58/867893358.db2.gz NWKYZWZUMMXSQM-CYBMUJFWSA-N -1 3 392.240 3.779 20 0 GHADHM COc1cc(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000553676357 867901852 /nfs/dbraw/zinc/90/18/52/867901852.db2.gz COPAQJPJHPBNHZ-UHFFFAOYSA-N -1 3 399.487 3.882 20 0 GHADHM CC(C)Cn1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cn1 ZINC000743265527 868039944 /nfs/dbraw/zinc/03/99/44/868039944.db2.gz RPDAOLKZAUYAGB-BQYQJAHWSA-N -1 3 384.299 3.714 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000479604612 868169774 /nfs/dbraw/zinc/16/97/74/868169774.db2.gz VTLUXADFGJGBJG-ILXRZTDVSA-N -1 3 397.541 3.651 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000155926155 868186077 /nfs/dbraw/zinc/18/60/77/868186077.db2.gz LSQFKSLJBVVFSB-NSHDSACASA-N -1 3 382.424 3.612 20 0 GHADHM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857275077 882162734 /nfs/dbraw/zinc/16/27/34/882162734.db2.gz SODWPOHYRXFLAP-LLVKDONJSA-N -1 3 390.402 3.834 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000156256431 868303406 /nfs/dbraw/zinc/30/34/06/868303406.db2.gz GLICZXGABYUMSS-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)C ZINC000156443766 868368473 /nfs/dbraw/zinc/36/84/73/868368473.db2.gz ZAWXEOLPGFVNNS-QGZVFWFLSA-N -1 3 379.453 3.678 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cccc(Br)c1Cl ZINC000553906431 868441174 /nfs/dbraw/zinc/44/11/74/868441174.db2.gz VBIDXSLDMVMDFS-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000156713472 868445220 /nfs/dbraw/zinc/44/52/20/868445220.db2.gz LYOKAPBXDRTKAV-JSGCOSHPSA-N -1 3 388.316 3.826 20 0 GHADHM Cc1c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)oc2c1C(=O)CCC2 ZINC000744216357 868672733 /nfs/dbraw/zinc/67/27/33/868672733.db2.gz GAVPTFGDQKFEFS-UHFFFAOYSA-N -1 3 378.384 3.797 20 0 GHADHM CCc1c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cnn1C(C)(C)C ZINC000744219431 868676011 /nfs/dbraw/zinc/67/60/11/868676011.db2.gz RXUWEBAFPBJNDG-UHFFFAOYSA-N -1 3 380.448 3.891 20 0 GHADHM O=c1[n-]nc(SCc2cncn2Cc2ccccc2)n1CCc1ccccc1 ZINC000445601088 868699513 /nfs/dbraw/zinc/69/95/13/868699513.db2.gz PSQXBKTXOBUHLW-UHFFFAOYSA-N -1 3 391.500 3.764 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432659 882219496 /nfs/dbraw/zinc/21/94/96/882219496.db2.gz DEKVZFALDOUFTC-GFCCVEGCSA-N -1 3 375.778 3.625 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ccc1Cl ZINC000648432888 882219972 /nfs/dbraw/zinc/21/99/72/882219972.db2.gz LFFDAZGXRKTCJA-SECBINFHSA-N -1 3 396.196 3.889 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)o1 ZINC000479930436 868744009 /nfs/dbraw/zinc/74/40/09/868744009.db2.gz WOYOPNDZTZCRKV-ZDUSSCGKSA-N -1 3 378.277 3.951 20 0 GHADHM Cc1csc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000744311418 868749795 /nfs/dbraw/zinc/74/97/95/868749795.db2.gz LJTRMUWKOGXQDJ-UHFFFAOYSA-N -1 3 378.251 3.961 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000648433323 882223109 /nfs/dbraw/zinc/22/31/09/882223109.db2.gz XSEVXVYCFNQRPQ-WPRPVWTQSA-N -1 3 379.716 3.541 20 0 GHADHM CCOc1ccc(F)c([N-]C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1F ZINC000535484744 868848926 /nfs/dbraw/zinc/84/89/26/868848926.db2.gz RWHOOONMRPYVIQ-UHFFFAOYSA-N -1 3 376.338 3.644 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000479999731 868884385 /nfs/dbraw/zinc/88/43/85/868884385.db2.gz QFFVQSNWGUZUFU-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000524448157 869097011 /nfs/dbraw/zinc/09/70/11/869097011.db2.gz JDQSDGWYIJLFMM-OAHLLOKOSA-N -1 3 399.343 3.936 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(COCC3CC3)c1)c2=O ZINC000539447709 869155649 /nfs/dbraw/zinc/15/56/49/869155649.db2.gz HACFNZRBPXKRBE-UHFFFAOYSA-N -1 3 396.418 3.855 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000462414113 869396003 /nfs/dbraw/zinc/39/60/03/869396003.db2.gz CPRXFAUGVGWERU-SNVBAGLBSA-N -1 3 390.336 3.562 20 0 GHADHM CCNC(=O)N(C)c1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000857500292 882300540 /nfs/dbraw/zinc/30/05/40/882300540.db2.gz NXRURSGQYCBOSK-UHFFFAOYSA-N -1 3 381.354 3.829 20 0 GHADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)nn1[C@H](C)C1CC1 ZINC000539688776 869610775 /nfs/dbraw/zinc/61/07/75/869610775.db2.gz PPIZZQMRFQAUCN-LLVKDONJSA-N -1 3 378.270 3.561 20 0 GHADHM O=C([N-][C@H](CCO)c1cccc(C(F)(F)F)c1)C(F)(F)C1(O)CCCCC1 ZINC000857522625 882320270 /nfs/dbraw/zinc/32/02/70/882320270.db2.gz MQZLJPBLWBXASH-CQSZACIVSA-N -1 3 395.368 3.576 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000446282065 869635745 /nfs/dbraw/zinc/63/57/45/869635745.db2.gz FEOZLRVKBHCGRJ-PRHODGIISA-N -1 3 383.208 3.931 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(C)cc2C)s1 ZINC000462547247 869653215 /nfs/dbraw/zinc/65/32/15/869653215.db2.gz FMTYLLHORBAMPE-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)C1 ZINC000745581218 869664266 /nfs/dbraw/zinc/66/42/66/869664266.db2.gz JTVAEQVJYYXCMD-UHFFFAOYSA-N -1 3 386.517 3.797 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2coc(-c3ccc(F)cc3)n2)cc1[O-] ZINC000745650107 869720131 /nfs/dbraw/zinc/72/01/31/869720131.db2.gz JPJQBSUBTADDMP-UHFFFAOYSA-N -1 3 386.335 3.722 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(Cl)c1 ZINC000462688298 869920076 /nfs/dbraw/zinc/92/00/76/869920076.db2.gz ZZKXACMYZTZPKY-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM CCC1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)C1 ZINC000462741207 869977070 /nfs/dbraw/zinc/97/70/70/869977070.db2.gz KWSJLEIQMDKTBH-UHFFFAOYSA-N -1 3 390.480 3.807 20 0 GHADHM COC[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000446573434 870025104 /nfs/dbraw/zinc/02/51/04/870025104.db2.gz XAJCKSFBHBYIFT-CYBMUJFWSA-N -1 3 394.468 3.546 20 0 GHADHM Cc1cc(-n2cccn2)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000188260219 870269799 /nfs/dbraw/zinc/26/97/99/870269799.db2.gz KCGLMUNWOVDPBL-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@]3(C)c3ccccc3OC)nc2)n1 ZINC000462876286 870273506 /nfs/dbraw/zinc/27/35/06/870273506.db2.gz CVHPWZBJRYOVJM-XMSQKQJNSA-N -1 3 376.460 3.957 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001192314484 870281515 /nfs/dbraw/zinc/28/15/15/870281515.db2.gz RMPVAHBXGUMTLN-RHSMWYFYSA-N -1 3 377.378 3.557 20 0 GHADHM COc1cccc(OC2CCN(C(=O)c3ccc(C(C)(C)C)cc3[O-])CC2)n1 ZINC001192323543 870288906 /nfs/dbraw/zinc/28/89/06/870288906.db2.gz ZFKIULIGDFARJK-UHFFFAOYSA-N -1 3 384.476 3.777 20 0 GHADHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001192424025 870350722 /nfs/dbraw/zinc/35/07/22/870350722.db2.gz HBRWPUKKLMZWGY-UHFFFAOYSA-N -1 3 396.578 3.974 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000538707958 870369906 /nfs/dbraw/zinc/36/99/06/870369906.db2.gz FOGWXCUINGBHBO-UHFFFAOYSA-N -1 3 394.456 3.572 20 0 GHADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H]1C ZINC000248409849 870391995 /nfs/dbraw/zinc/39/19/95/870391995.db2.gz GJCUVRNYIFYKPB-LLGFUMIMSA-N -1 3 380.488 3.758 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccc(F)cc2F)[nH][n-]1 ZINC000446809106 870448082 /nfs/dbraw/zinc/44/80/82/870448082.db2.gz GTKOXYRKYDZMEK-UHFFFAOYSA-N -1 3 377.778 3.620 20 0 GHADHM CSc1cccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(F)c(F)c2)c1 ZINC000462950354 870511616 /nfs/dbraw/zinc/51/16/16/870511616.db2.gz QQQVBJKTQMPUGV-QGZVFWFLSA-N -1 3 383.427 3.928 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCCCc2ccccc2)s1 ZINC001192614954 870547723 /nfs/dbraw/zinc/54/77/23/870547723.db2.gz VWAWDAFPSBTRKX-UHFFFAOYSA-N -1 3 381.519 3.616 20 0 GHADHM CCCCOC(=O)c1ccccc1C(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001192619526 870568174 /nfs/dbraw/zinc/56/81/74/870568174.db2.gz WAZPFGPQCCQFQA-UHFFFAOYSA-N -1 3 389.379 3.527 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccccc1 ZINC000538758650 870580707 /nfs/dbraw/zinc/58/07/07/870580707.db2.gz CBGQNZMAHHPQRG-LBPRGKRZSA-N -1 3 390.288 3.668 20 0 GHADHM CC(C)CCn1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)nn1 ZINC000525389676 870589255 /nfs/dbraw/zinc/58/92/55/870589255.db2.gz MQGXGMNTDQEBGD-UHFFFAOYSA-N -1 3 393.278 3.695 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)cc2n(C)c1=O ZINC000461618720 870638799 /nfs/dbraw/zinc/63/87/99/870638799.db2.gz PPXMOXSTOTWVOT-UHFFFAOYSA-N -1 3 387.867 3.786 20 0 GHADHM C[C@](CO)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000391061622 870644443 /nfs/dbraw/zinc/64/44/43/870644443.db2.gz HWVLUPNLEYXZJU-OAHLLOKOSA-N -1 3 394.707 3.833 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)c(Cl)c1 ZINC001192820595 870695995 /nfs/dbraw/zinc/69/59/95/870695995.db2.gz ADLASHICBVEXOX-UHFFFAOYSA-N -1 3 397.880 3.889 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCC2(C)C)cc1Cl ZINC001192858439 870737273 /nfs/dbraw/zinc/73/72/73/870737273.db2.gz WNAAEMXZGXKFCW-LBPRGKRZSA-N -1 3 390.908 3.932 20 0 GHADHM O=C(NCc1ccco1)c1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000738124657 870761149 /nfs/dbraw/zinc/76/11/49/870761149.db2.gz UKMGQWAEWVKLEF-UHFFFAOYSA-N -1 3 391.456 3.682 20 0 GHADHM O=C(NCc1ccco1)c1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000738124657 870761159 /nfs/dbraw/zinc/76/11/59/870761159.db2.gz UKMGQWAEWVKLEF-UHFFFAOYSA-N -1 3 391.456 3.682 20 0 GHADHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249255885 870796591 /nfs/dbraw/zinc/79/65/91/870796591.db2.gz GJHVQEWOCXPFDC-DOTOQJQBSA-N -1 3 386.876 3.574 20 0 GHADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000122213377 882444184 /nfs/dbraw/zinc/44/41/84/882444184.db2.gz JMZNIKOYDXWBLV-ZDUSSCGKSA-N -1 3 395.434 3.756 20 0 GHADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])cc1 ZINC000538872178 870799312 /nfs/dbraw/zinc/79/93/12/870799312.db2.gz NNBGBYXQUFSOQY-UHFFFAOYSA-N -1 3 398.459 3.693 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCCN1c1ccccc1Cl ZINC000738294592 870820335 /nfs/dbraw/zinc/82/03/35/870820335.db2.gz DTTFAOQEMUTKLE-INIZCTEOSA-N -1 3 385.880 3.808 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCCN1c1ccccc1Cl ZINC000738294592 870820345 /nfs/dbraw/zinc/82/03/45/870820345.db2.gz DTTFAOQEMUTKLE-INIZCTEOSA-N -1 3 385.880 3.808 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(F)c(C(F)(F)F)cc1F ZINC000804290374 870836188 /nfs/dbraw/zinc/83/61/88/870836188.db2.gz PGLHMWHIAOFSDI-UHFFFAOYSA-N -1 3 382.292 3.876 20 0 GHADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000461802325 871030348 /nfs/dbraw/zinc/03/03/48/871030348.db2.gz JWEYYUIUGWTGRH-HZPDHXFCSA-N -1 3 390.505 3.653 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(C)C ZINC001193386836 871071947 /nfs/dbraw/zinc/07/19/47/871071947.db2.gz ZTBVBBZNGSQFTM-SFHVURJKSA-N -1 3 379.453 3.596 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2Cl)c1 ZINC001193394271 871076053 /nfs/dbraw/zinc/07/60/53/871076053.db2.gz FQFZCYNWUSZZSC-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM COC(=O)c1ccccc1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000533925520 882478911 /nfs/dbraw/zinc/47/89/11/882478911.db2.gz VGEJLGRGXPUECU-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000181518381 871128976 /nfs/dbraw/zinc/12/89/76/871128976.db2.gz ISKLHQDEBMVVRZ-HNNXBMFYSA-N -1 3 379.247 3.807 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1F ZINC000103057952 871156950 /nfs/dbraw/zinc/15/69/50/871156950.db2.gz ILPGIYCHQSXQLX-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Oc2ccccc2)ccn1 ZINC001169074489 871165967 /nfs/dbraw/zinc/16/59/67/871165967.db2.gz JMFOKDQVZRYXBF-UHFFFAOYSA-N -1 3 376.416 3.567 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000447264087 871281919 /nfs/dbraw/zinc/28/19/19/871281919.db2.gz AFEOBTVWVGQKRQ-UHFFFAOYSA-N -1 3 376.217 3.532 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4ccco4)cc3F)ccc2[nH]1 ZINC000447268468 871290003 /nfs/dbraw/zinc/29/00/03/871290003.db2.gz VFTCRSPDESMQEK-UHFFFAOYSA-N -1 3 384.388 3.728 20 0 GHADHM CN(CCCCNC(=O)c1ccc([O-])cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001193758511 871297230 /nfs/dbraw/zinc/29/72/30/871297230.db2.gz VDAHXHQPVSRDQK-UHFFFAOYSA-N -1 3 390.402 3.788 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)c1Cl ZINC001193830156 871331118 /nfs/dbraw/zinc/33/11/18/871331118.db2.gz NHABRXRPTSXCSP-SWLSCSKDSA-N -1 3 378.321 3.785 20 0 GHADHM CC1CCN(C(=O)c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)CC1 ZINC000618344153 871529146 /nfs/dbraw/zinc/52/91/46/871529146.db2.gz LFWBXOFAJQLVPT-UHFFFAOYSA-N -1 3 389.455 3.653 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001169542733 871621178 /nfs/dbraw/zinc/62/11/78/871621178.db2.gz ZRXFQKFINPQNKW-DNVCBOLYSA-N -1 3 393.462 3.720 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3ccnc(Cl)c3F)cc12 ZINC001194348484 871630606 /nfs/dbraw/zinc/63/06/06/871630606.db2.gz NUIIDURDWPLJJX-UHFFFAOYSA-N -1 3 388.207 3.582 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3c(O)cccc3Cl)cc12 ZINC001194371523 871642585 /nfs/dbraw/zinc/64/25/85/871642585.db2.gz FXGIREJKUOCPQY-UHFFFAOYSA-N -1 3 385.228 3.754 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c(F)c1 ZINC001194372316 871644283 /nfs/dbraw/zinc/64/42/83/871644283.db2.gz SBKVKSHEDKJKII-UHFFFAOYSA-N -1 3 396.827 3.932 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001194392024 871667187 /nfs/dbraw/zinc/66/71/87/871667187.db2.gz USEXVGKAMYFPQF-AWEZNQCLSA-N -1 3 395.443 3.665 20 0 GHADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1n[nH]c(-c2c(F)cccc2F)n1 ZINC000462147349 871679973 /nfs/dbraw/zinc/67/99/73/871679973.db2.gz UEBZQTHQXXJPIS-UHFFFAOYSA-N -1 3 389.309 3.786 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000146293059 871704347 /nfs/dbraw/zinc/70/43/47/871704347.db2.gz ZSENDILEDJWQFV-KBXCAEBGSA-N -1 3 383.872 3.925 20 0 GHADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1C ZINC001194591719 871818372 /nfs/dbraw/zinc/81/83/72/871818372.db2.gz UOKFLUCOKGSKAH-JTQLQIEISA-N -1 3 375.277 3.745 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1F ZINC000103390444 871862212 /nfs/dbraw/zinc/86/22/12/871862212.db2.gz GLIGWYMZSDUYGV-UHFFFAOYSA-N -1 3 384.517 3.696 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(Cl)c2F)cc1OC ZINC000133908017 882561406 /nfs/dbraw/zinc/56/14/06/882561406.db2.gz YFIIQHLSROADOL-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM CCCCCn1nc(C(=O)Nc2cccc(C(C)=O)c2[O-])c2ccccc2c1=O ZINC000552069239 871976072 /nfs/dbraw/zinc/97/60/72/871976072.db2.gz KNUHGWOQIQQHBL-UHFFFAOYSA-N -1 3 393.443 3.747 20 0 GHADHM O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)[N-]OCc1ccccc1 ZINC000776995646 882566155 /nfs/dbraw/zinc/56/61/55/882566155.db2.gz FPLQJHYZVWQTRV-KRWDZBQOSA-N -1 3 381.501 3.724 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CCC3)c(C)c1C ZINC001194863154 871995102 /nfs/dbraw/zinc/99/51/02/871995102.db2.gz BSDBPUUJBMISCG-SFHVURJKSA-N -1 3 375.490 3.791 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)c(C)c1C ZINC001194863846 871995181 /nfs/dbraw/zinc/99/51/81/871995181.db2.gz HIJKCJADPAOFBG-UHFFFAOYSA-N -1 3 398.484 3.572 20 0 GHADHM CC1(C)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCS1 ZINC000447640833 872055465 /nfs/dbraw/zinc/05/54/65/872055465.db2.gz VLTLTDPBVWPQFP-UHFFFAOYSA-N -1 3 395.322 3.648 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC001194995597 872094856 /nfs/dbraw/zinc/09/48/56/872094856.db2.gz BMZRNAKKDNTQJM-CYBMUJFWSA-N -1 3 378.469 3.812 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCOC2(CCC2)C1 ZINC001194999444 872096972 /nfs/dbraw/zinc/09/69/72/872096972.db2.gz FXARGWYKPCPZAW-SFHVURJKSA-N -1 3 392.546 3.828 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCCOc2cccc(Cl)c2Cl)[n-]1 ZINC000618919846 872157002 /nfs/dbraw/zinc/15/70/02/872157002.db2.gz VALSAXFRJWNUJW-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCCOc2cccc(Cl)c2Cl)c[n-]1 ZINC000618919846 872157008 /nfs/dbraw/zinc/15/70/08/872157008.db2.gz VALSAXFRJWNUJW-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1[C@H](C)C[C@@H]1C ZINC000526932094 872331097 /nfs/dbraw/zinc/33/10/97/872331097.db2.gz FDZUVVCOIPYIAQ-OKILXGFUSA-N -1 3 376.453 3.558 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000619153636 872362713 /nfs/dbraw/zinc/36/27/13/872362713.db2.gz SBJVHVFSCUMOTE-NXEZZACHSA-N -1 3 392.299 3.731 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000447834422 872373571 /nfs/dbraw/zinc/37/35/71/872373571.db2.gz QXNLXOMFHKTSGO-AWEZNQCLSA-N -1 3 387.365 3.685 20 0 GHADHM CC(=O)c1c(Br)cccc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195421173 872409848 /nfs/dbraw/zinc/40/98/48/872409848.db2.gz WWJWFKKDHBGTET-UHFFFAOYSA-N -1 3 377.263 3.779 20 0 GHADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1C ZINC001195503910 872454391 /nfs/dbraw/zinc/45/43/91/872454391.db2.gz UOKFLUCOKGSKAH-SNVBAGLBSA-N -1 3 375.277 3.745 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ccncc21)c1cc(Br)ccc1F ZINC001195505620 872454524 /nfs/dbraw/zinc/45/45/24/872454524.db2.gz UUOIGVRGXVSBDD-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccoc2c1)c1cc(Br)ccc1F ZINC001195507667 872456387 /nfs/dbraw/zinc/45/63/87/872456387.db2.gz HKIBGXRVNSUWOH-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM CC1(C)C(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(C)C ZINC000527029942 872503950 /nfs/dbraw/zinc/50/39/50/872503950.db2.gz SRMLLGIBWOFHFN-UHFFFAOYSA-N -1 3 377.282 3.703 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001129367113 872533624 /nfs/dbraw/zinc/53/36/24/872533624.db2.gz LAOXPHPGXSTVKL-UHFFFAOYSA-N -1 3 385.708 3.784 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)cnc1Cl ZINC000767475116 872537557 /nfs/dbraw/zinc/53/75/57/872537557.db2.gz KFABTZLDTSWSMT-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c(C)cc1C ZINC000527065182 872546952 /nfs/dbraw/zinc/54/69/52/872546952.db2.gz PPKWTAGRZUGEOM-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350212 872557758 /nfs/dbraw/zinc/55/77/58/872557758.db2.gz NICMMCDTMVUXHO-MSOLQXFVSA-N -1 3 391.427 3.518 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350212 872557771 /nfs/dbraw/zinc/55/77/71/872557771.db2.gz NICMMCDTMVUXHO-MSOLQXFVSA-N -1 3 391.427 3.518 20 0 GHADHM COc1cc(C(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)cc(OC)c1[O-] ZINC000619375070 872601834 /nfs/dbraw/zinc/60/18/34/872601834.db2.gz SHPZYJUHDKELOV-LBPRGKRZSA-N -1 3 391.851 3.707 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1c(Cl)cccc1Cl ZINC000121409773 872605375 /nfs/dbraw/zinc/60/53/75/872605375.db2.gz KQXYVSUUZWBGTG-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2cccc(OCc3ccccc3C)c2)[n-]1 ZINC000619446859 872635213 /nfs/dbraw/zinc/63/52/13/872635213.db2.gz BAWIBMBOXVMAIG-UHFFFAOYSA-N -1 3 393.443 3.655 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2cccc(OCc3ccccc3C)c2)c[n-]1 ZINC000619446859 872635221 /nfs/dbraw/zinc/63/52/21/872635221.db2.gz BAWIBMBOXVMAIG-UHFFFAOYSA-N -1 3 393.443 3.655 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)[n-]1 ZINC000619446655 872635404 /nfs/dbraw/zinc/63/54/04/872635404.db2.gz RYVBRHUVSRIAEW-UHFFFAOYSA-N -1 3 384.461 3.887 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)c[n-]1 ZINC000619446655 872635415 /nfs/dbraw/zinc/63/54/15/872635415.db2.gz RYVBRHUVSRIAEW-UHFFFAOYSA-N -1 3 384.461 3.887 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)[C@H]2CCc3ccccc3C2)CCCCC1 ZINC001195744141 872645576 /nfs/dbraw/zinc/64/55/76/872645576.db2.gz MENUEYLMXXGOJR-SFHVURJKSA-N -1 3 393.549 3.508 20 0 GHADHM O=S(=O)(Nc1ccc(N2CCCC2)c(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC001195795089 872669106 /nfs/dbraw/zinc/66/91/06/872669106.db2.gz ZVJLFQFMSBGSIH-UHFFFAOYSA-N -1 3 386.395 3.812 20 0 GHADHM COc1cc(OC)c(Cl)c(NS(=O)(=O)c2ccc([O-])cc2)c1Cl ZINC001195802744 872673368 /nfs/dbraw/zinc/67/33/68/872673368.db2.gz LCGVTEGQWSBKLQ-UHFFFAOYSA-N -1 3 378.233 3.517 20 0 GHADHM Cc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195807598 872678417 /nfs/dbraw/zinc/67/84/17/872678417.db2.gz QYVFXZFYAUYEIB-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM C[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001195820511 872693873 /nfs/dbraw/zinc/69/38/73/872693873.db2.gz HLFGPDQLKPMDSR-CYBMUJFWSA-N -1 3 392.477 3.779 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC001195942172 872741827 /nfs/dbraw/zinc/74/18/27/872741827.db2.gz BAAWQDQEOFFRPT-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM O=C(CCc1cccc(Cl)c1)N[N-]C(=O)c1ccc(F)cc1Br ZINC000130139217 872805527 /nfs/dbraw/zinc/80/55/27/872805527.db2.gz OAFCJANIDQXQFZ-UHFFFAOYSA-N -1 3 399.647 3.635 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208864 872809188 /nfs/dbraw/zinc/80/91/88/872809188.db2.gz JGWJAUGKVKZWTF-ZDUSSCGKSA-N -1 3 376.869 3.518 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(N2CCCCC2=O)cc1 ZINC000794217740 882657990 /nfs/dbraw/zinc/65/79/90/882657990.db2.gz CLACERLSGRXSIG-HNNXBMFYSA-N -1 3 389.455 3.536 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(Cl)cn1 ZINC001196259106 872974793 /nfs/dbraw/zinc/97/47/93/872974793.db2.gz SLGOXHJRILCETF-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)C1 ZINC000448158877 872977267 /nfs/dbraw/zinc/97/72/67/872977267.db2.gz WATMCMOBQJFKIB-YLJYHZDGSA-N -1 3 387.487 3.523 20 0 GHADHM C[C@H](CNC(=O)c1cccc2n[n-]nc21)Sc1ccc(Br)cc1 ZINC000527357099 873075811 /nfs/dbraw/zinc/07/58/11/873075811.db2.gz JRHYJZXANUKXQD-SNVBAGLBSA-N -1 3 391.294 3.631 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)cc1F ZINC000541210020 873139435 /nfs/dbraw/zinc/13/94/35/873139435.db2.gz YKQUCOAVTWPUNM-UHFFFAOYSA-N -1 3 395.475 3.527 20 0 GHADHM O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000527483088 873183156 /nfs/dbraw/zinc/18/31/56/873183156.db2.gz UJPGEINNDNTUFA-UHFFFAOYSA-N -1 3 378.428 3.567 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000527482985 873183291 /nfs/dbraw/zinc/18/32/91/873183291.db2.gz UZBGSFQOPQOKAF-YVWKXTFCSA-N -1 3 396.462 3.588 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499914 873184456 /nfs/dbraw/zinc/18/44/56/873184456.db2.gz HNWUOUKSDLAETM-AWEZNQCLSA-N -1 3 390.415 3.646 20 0 GHADHM O=C1[N-]C(=O)/C(=C\c2ccc(OC(F)F)c(Br)c2)c2ccccc21 ZINC000768267883 873199002 /nfs/dbraw/zinc/19/90/02/873199002.db2.gz XSNSGEGYKNKXBT-GHXNOFRVSA-N -1 3 394.171 3.861 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000367770617 873230868 /nfs/dbraw/zinc/23/08/68/873230868.db2.gz DMCXYXYNSWQCET-JTQLQIEISA-N -1 3 397.378 3.853 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cccc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC001196626243 873267351 /nfs/dbraw/zinc/26/73/51/873267351.db2.gz ZBFSBMDFNQCULI-UHFFFAOYSA-N -1 3 389.333 3.678 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(C)(C)C)c1 ZINC000542618711 882712880 /nfs/dbraw/zinc/71/28/80/882712880.db2.gz NEPOIPVEWKWIQZ-HNNXBMFYSA-N -1 3 385.464 3.982 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C)c(C(F)(F)F)c2)c1 ZINC001196785259 873358954 /nfs/dbraw/zinc/35/89/54/873358954.db2.gz SDZDXMJNSBNFBN-UHFFFAOYSA-N -1 3 377.359 3.640 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2)c1 ZINC001196777077 873384837 /nfs/dbraw/zinc/38/48/37/873384837.db2.gz JCYVHTDHHWWSGA-SNVBAGLBSA-N -1 3 388.258 3.636 20 0 GHADHM O=C(Cc1nc(NC(=O)c2ccc(-c3cccs3)nc2)n[n-]1)c1ccccc1 ZINC001196779239 873385333 /nfs/dbraw/zinc/38/53/33/873385333.db2.gz XFPDFWPAFXLTQN-UHFFFAOYSA-N -1 3 389.440 3.606 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2)c(C)c1 ZINC001196881636 873426134 /nfs/dbraw/zinc/42/61/34/873426134.db2.gz ZIXCBCJTFODPCX-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc([O-])cc(Br)c1 ZINC000527679359 873427221 /nfs/dbraw/zinc/42/72/21/873427221.db2.gz YONYFVZRHTZJKL-MRXNPFEDSA-N -1 3 393.281 3.705 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3cc(-c4ccccc4F)on3)cs2)n1C ZINC000448489296 873470087 /nfs/dbraw/zinc/47/00/87/873470087.db2.gz HAFJRMNLNWZXBY-UHFFFAOYSA-N -1 3 382.420 3.925 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1c(C)cccc1Br ZINC001197030956 873554267 /nfs/dbraw/zinc/55/42/67/873554267.db2.gz KKJMCBVIBLXUEG-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000541442070 873586500 /nfs/dbraw/zinc/58/65/00/873586500.db2.gz KUWYSNJNWPEDJV-HNNXBMFYSA-N -1 3 382.386 3.706 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000537646457 882738798 /nfs/dbraw/zinc/73/87/98/882738798.db2.gz DSNIIFMRNFRUPZ-UHFFFAOYSA-N -1 3 397.378 3.811 20 0 GHADHM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134112600 882742747 /nfs/dbraw/zinc/74/27/47/882742747.db2.gz WVFGUIVKGZJVQI-MRXNPFEDSA-N -1 3 394.393 3.641 20 0 GHADHM COc1cccc(CN2CCC(NC(=O)c3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC000768957738 873735585 /nfs/dbraw/zinc/73/55/85/873735585.db2.gz IVWWLQFVXNQJLE-UHFFFAOYSA-N -1 3 392.858 3.588 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccccc1C1OCCO1 ZINC001197538009 873866244 /nfs/dbraw/zinc/86/62/44/873866244.db2.gz NOBSMLRGZMFCCG-UHFFFAOYSA-N -1 3 388.272 3.981 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000448748684 873914312 /nfs/dbraw/zinc/91/43/12/873914312.db2.gz CYTLDVYQLNRWKQ-UHFFFAOYSA-N -1 3 398.356 3.568 20 0 GHADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nnn1-c1ccc(C)cc1 ZINC000134205113 882781088 /nfs/dbraw/zinc/78/10/88/882781088.db2.gz UWLVXGAZHNTPBN-UHFFFAOYSA-N -1 3 376.338 3.861 20 0 GHADHM O=C(Nc1cnn2ccc(Cl)nc12)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708441 873993707 /nfs/dbraw/zinc/99/37/07/873993707.db2.gz XUFRKZACDMZFAT-UHFFFAOYSA-N -1 3 394.818 3.920 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197755039 874031183 /nfs/dbraw/zinc/03/11/83/874031183.db2.gz WKRODLMKDVOXRS-UHFFFAOYSA-N -1 3 392.235 4.000 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CCOc4ccccc43)cc2)n1 ZINC000117630472 874078209 /nfs/dbraw/zinc/07/82/09/874078209.db2.gz BGGIBIMJBZMHGY-INIZCTEOSA-N -1 3 375.428 3.640 20 0 GHADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448866621 874086800 /nfs/dbraw/zinc/08/68/00/874086800.db2.gz SAQBZFXLSBQFJJ-HNNXBMFYSA-N -1 3 376.859 3.678 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(COc2cccc(F)c2)c1 ZINC001197946740 874135584 /nfs/dbraw/zinc/13/55/84/874135584.db2.gz FZPNCUOTHVIVFV-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC001197946740 874135587 /nfs/dbraw/zinc/13/55/87/874135587.db2.gz FZPNCUOTHVIVFV-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(Cc3ccc(F)cc3)CCC(F)(F)CC2)c1 ZINC001198033728 874191110 /nfs/dbraw/zinc/19/11/10/874191110.db2.gz DDTWLAXEKOWLDM-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1C ZINC000004289638 874193680 /nfs/dbraw/zinc/19/36/80/874193680.db2.gz PERPCQGBUZHVTP-LLVKDONJSA-N -1 3 387.461 3.667 20 0 GHADHM Cc1cc(C(N)=O)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000769688100 874210597 /nfs/dbraw/zinc/21/05/97/874210597.db2.gz FBZXMRSRPFAAQW-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198167369 874256974 /nfs/dbraw/zinc/25/69/74/874256974.db2.gz BFUDLWYCGMQTEE-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198167369 874256988 /nfs/dbraw/zinc/25/69/88/874256988.db2.gz BFUDLWYCGMQTEE-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM CCc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccc1C ZINC000541791993 874283105 /nfs/dbraw/zinc/28/31/05/874283105.db2.gz MWZKPNUSBGZVCP-UHFFFAOYSA-N -1 3 384.501 3.584 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1)c1cccc(Cl)n1 ZINC001198259741 874290495 /nfs/dbraw/zinc/29/04/95/874290495.db2.gz KUNRYMDVLZHWAS-MRXNPFEDSA-N -1 3 380.897 3.571 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc(F)cc2Cl)cc1[O-] ZINC000769801641 874296572 /nfs/dbraw/zinc/29/65/72/874296572.db2.gz KBXYZMAXCOICJO-UHFFFAOYSA-N -1 3 383.759 3.599 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2F)cn1 ZINC001198314323 874346703 /nfs/dbraw/zinc/34/67/03/874346703.db2.gz WODIMQNTLIGVFJ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(C)nc2)c(Cl)cc1Br ZINC001198321033 874352156 /nfs/dbraw/zinc/35/21/56/874352156.db2.gz KFDMVTYKUNGTCE-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000769932468 874374741 /nfs/dbraw/zinc/37/47/41/874374741.db2.gz PIRLQHUCMUJELR-UHFFFAOYSA-N -1 3 382.416 3.623 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H]1c1ccccc1Br ZINC000769973207 874383814 /nfs/dbraw/zinc/38/38/14/874383814.db2.gz SRYDHIZPYZLWQE-AWEZNQCLSA-N -1 3 390.233 3.861 20 0 GHADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1sc2ccccc2c1Cl ZINC000770107711 874463553 /nfs/dbraw/zinc/46/35/53/874463553.db2.gz MVZSJNSVTAMTLO-AWEZNQCLSA-N -1 3 389.926 3.562 20 0 GHADHM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cccc2n[n-]nc21 ZINC000541891779 874472912 /nfs/dbraw/zinc/47/29/12/874472912.db2.gz JJCPVVGCYFDPMP-GOSISDBHSA-N -1 3 376.391 3.647 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccnc3OCC(C)C)c2)n1 ZINC000770140189 874491084 /nfs/dbraw/zinc/49/10/84/874491084.db2.gz WCPWTXGWLULRFM-UHFFFAOYSA-N -1 3 379.416 3.807 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cnc(-c2ccccc2Cl)s1 ZINC000775914607 874694534 /nfs/dbraw/zinc/69/45/34/874694534.db2.gz VIBPFEALDCWGSL-UHFFFAOYSA-N -1 3 387.774 3.530 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528633725 874825389 /nfs/dbraw/zinc/82/53/89/874825389.db2.gz IISXIGIBDPJTLR-LBPRGKRZSA-N -1 3 376.250 3.793 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Br)n1 ZINC000771130793 875063663 /nfs/dbraw/zinc/06/36/63/875063663.db2.gz KUHSQMAQDNFIQJ-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OCC ZINC000542170487 875080429 /nfs/dbraw/zinc/08/04/29/875080429.db2.gz ROKVEIKCGYZQPB-UHFFFAOYSA-N -1 3 386.374 3.537 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OCC ZINC000542170487 875080439 /nfs/dbraw/zinc/08/04/39/875080439.db2.gz ROKVEIKCGYZQPB-UHFFFAOYSA-N -1 3 386.374 3.537 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCSCc2ccnc(Cl)c2)c(F)cc1F ZINC000771481712 875281999 /nfs/dbraw/zinc/28/19/99/875281999.db2.gz ZZMHBVQASURHRR-UHFFFAOYSA-N -1 3 392.880 3.533 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000776100835 875341991 /nfs/dbraw/zinc/34/19/91/875341991.db2.gz CHQQQOOFUVUKTK-ZDUSSCGKSA-N -1 3 399.373 3.613 20 0 GHADHM Cc1ncccc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001201074203 875511676 /nfs/dbraw/zinc/51/16/76/875511676.db2.gz XEHTXKDNCWITIU-OAHLLOKOSA-N -1 3 399.285 3.721 20 0 GHADHM COc1cccc(F)c1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201275881 875608186 /nfs/dbraw/zinc/60/81/86/875608186.db2.gz FEVXJNSNUPEGBM-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC001201500459 875720955 /nfs/dbraw/zinc/72/09/55/875720955.db2.gz CYKSAZIFFGKDAW-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001201695884 875824900 /nfs/dbraw/zinc/82/49/00/875824900.db2.gz QNXNJLPOYMGUBO-LLVKDONJSA-N -1 3 392.880 3.539 20 0 GHADHM Cc1cccnc1Oc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000913697110 875880780 /nfs/dbraw/zinc/88/07/80/875880780.db2.gz YLTXPLJZYMZHLM-UHFFFAOYSA-N -1 3 390.443 3.875 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1C=CCCC1 ZINC000134649285 882973306 /nfs/dbraw/zinc/97/33/06/882973306.db2.gz GPEOBRKROIDSFO-OAHLLOKOSA-N -1 3 388.464 3.773 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000529232247 875887690 /nfs/dbraw/zinc/88/76/90/875887690.db2.gz KCEASPFQWSILDT-BRWVUGGUSA-N -1 3 382.298 3.701 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000491932703 876026726 /nfs/dbraw/zinc/02/67/26/876026726.db2.gz MJTPCOZCTPQUMK-UHFFFAOYSA-N -1 3 389.864 3.959 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000030427150 876051873 /nfs/dbraw/zinc/05/18/73/876051873.db2.gz OENMNHDSIIVFTR-UHFFFAOYSA-N -1 3 396.734 3.970 20 0 GHADHM O=C([N-]c1csc(Br)n1)c1cc2c(ncnc2Cl)s1 ZINC001152954094 876064178 /nfs/dbraw/zinc/06/41/78/876064178.db2.gz JQKALSMJOKIJMS-UHFFFAOYSA-N -1 3 375.660 3.816 20 0 GHADHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1cc(F)c(F)c(F)c1 ZINC000173002788 876076229 /nfs/dbraw/zinc/07/62/29/876076229.db2.gz QXSTUIHTAXTZON-UHFFFAOYSA-N -1 3 384.404 3.706 20 0 GHADHM Cc1cc(C(=O)Nc2c([O-])ccc(Br)c2C)nn1C1CCOCC1 ZINC000529438628 876122891 /nfs/dbraw/zinc/12/28/91/876122891.db2.gz JZFTVQHFPQWPBX-UHFFFAOYSA-N -1 3 394.269 3.572 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCOCC1)c1cc([O-])cc(Br)c1 ZINC000529464837 876191742 /nfs/dbraw/zinc/19/17/42/876191742.db2.gz HFBJAECKEYREJZ-UHFFFAOYSA-N -1 3 390.277 3.676 20 0 GHADHM Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000107228237 876326003 /nfs/dbraw/zinc/32/60/03/876326003.db2.gz QABWRVUJBPFNCB-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000107228237 876326008 /nfs/dbraw/zinc/32/60/08/876326008.db2.gz QABWRVUJBPFNCB-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM O=C(O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([O-])cc1 ZINC000776359657 876331827 /nfs/dbraw/zinc/33/18/27/876331827.db2.gz MRCVGFLCHBEYNZ-KRWDZBQOSA-N -1 3 393.361 3.759 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(Cc3ccccc3)CCOCC2)c([O-])c1 ZINC000450410294 876374378 /nfs/dbraw/zinc/37/43/78/876374378.db2.gz LYVWGTFNPQUFIS-UHFFFAOYSA-N -1 3 383.444 3.547 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000786138976 876468022 /nfs/dbraw/zinc/46/80/22/876468022.db2.gz FOIWDFXLRFDLCT-MLGOLLRUSA-N -1 3 397.452 3.792 20 0 GHADHM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc2sccc2c([O-])c1 ZINC000786140421 876469308 /nfs/dbraw/zinc/46/93/08/876469308.db2.gz PMKRDRYNXUSWFU-SFHVURJKSA-N -1 3 381.453 3.955 20 0 GHADHM O=C(OCCCS(=O)(=O)c1ccccc1)c1cc2sccc2c([O-])c1 ZINC000786138869 876502606 /nfs/dbraw/zinc/50/26/06/876502606.db2.gz CKGNGZRABKWMEC-UHFFFAOYSA-N -1 3 376.455 3.628 20 0 GHADHM CC(=O)c1[n-]c(=NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)sc1C ZINC000450530624 876575459 /nfs/dbraw/zinc/57/54/59/876575459.db2.gz DTGMBYXUEUNNLY-UHFFFAOYSA-N -1 3 396.394 3.843 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1Br ZINC001129612434 883062639 /nfs/dbraw/zinc/06/26/39/883062639.db2.gz FPRGYCBTLKIXIF-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1Br ZINC001129612434 883062649 /nfs/dbraw/zinc/06/26/49/883062649.db2.gz FPRGYCBTLKIXIF-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM COc1cccc(C[C@H]2CCCCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000529957870 876898755 /nfs/dbraw/zinc/89/87/55/876898755.db2.gz CWHQHARINLTSEJ-LJQANCHMSA-N -1 3 396.487 3.987 20 0 GHADHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1cc2cc(F)ccc2o1 ZINC000450968291 877142129 /nfs/dbraw/zinc/14/21/29/877142129.db2.gz KJLJQLIQATURHA-UHFFFAOYSA-N -1 3 388.464 3.515 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000787118972 877160983 /nfs/dbraw/zinc/16/09/83/877160983.db2.gz BWLOJJYEXIURSJ-KRWDZBQOSA-N -1 3 385.357 3.723 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)ccc1OC(C)C ZINC000451014551 877237447 /nfs/dbraw/zinc/23/74/47/877237447.db2.gz ICNUFVIEQQKBHJ-UHFFFAOYSA-N -1 3 386.473 3.733 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1)c1ccccc1 ZINC000451017377 877239301 /nfs/dbraw/zinc/23/93/01/877239301.db2.gz NPDNNBPNJURDPF-GOSISDBHSA-N -1 3 382.913 3.531 20 0 GHADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000530192799 877274198 /nfs/dbraw/zinc/27/41/98/877274198.db2.gz GOBDCZNCDKZMGY-KRWDZBQOSA-N -1 3 381.407 3.509 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451068891 877328865 /nfs/dbraw/zinc/32/88/65/877328865.db2.gz RFUIAHNTNLZEFC-CYBMUJFWSA-N -1 3 392.424 3.626 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451069492 877327336 /nfs/dbraw/zinc/32/73/36/877327336.db2.gz UKOMXLGKJNLLJJ-NSHDSACASA-N -1 3 382.454 3.755 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)c(F)cc1F ZINC000787327199 877348182 /nfs/dbraw/zinc/34/81/82/877348182.db2.gz ZFUHQYRGRHOHSB-UHFFFAOYSA-N -1 3 386.196 3.907 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC ZINC000030363801 877402910 /nfs/dbraw/zinc/40/29/10/877402910.db2.gz SILWZZWNIZNJTA-ZDUSSCGKSA-N -1 3 384.841 3.686 20 0 GHADHM COc1cccc2c(CN3CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C3)cccc12 ZINC001183074956 912233231 /nfs/dbraw/zinc/23/32/31/912233231.db2.gz NJMBIBGDPNDFKL-DYVFJYSZSA-N -1 3 380.410 3.737 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c(C)c2c1 ZINC000136992536 877481340 /nfs/dbraw/zinc/48/13/40/877481340.db2.gz IEQSYTFKXOFXDG-UHFFFAOYSA-N -1 3 379.445 3.575 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c(C)c2c1 ZINC000136992536 877481342 /nfs/dbraw/zinc/48/13/42/877481342.db2.gz IEQSYTFKXOFXDG-UHFFFAOYSA-N -1 3 379.445 3.575 20 0 GHADHM CC(=O)N(c1nc(COC(=O)CCCc2ccc([O-])c(F)c2)cs1)C1CC1 ZINC000787831271 877647312 /nfs/dbraw/zinc/64/73/12/877647312.db2.gz RTQSVISHDXPMOZ-UHFFFAOYSA-N -1 3 392.452 3.569 20 0 GHADHM CC(C)(C)C(=O)N1CCC(COC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787849515 877670134 /nfs/dbraw/zinc/67/01/34/877670134.db2.gz XANZYUVTWRUYQQ-UHFFFAOYSA-N -1 3 379.472 3.682 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000788302957 877981072 /nfs/dbraw/zinc/98/10/72/877981072.db2.gz BFRZUNPFCDBKHP-CYBMUJFWSA-N -1 3 378.457 3.669 20 0 GHADHM O=C([N-][C@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)C1(O)CCCC1 ZINC000788305935 877982916 /nfs/dbraw/zinc/98/29/16/877982916.db2.gz GKIHHUSRDYDLPC-MRXNPFEDSA-N -1 3 380.822 3.881 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c([O-])c1 ZINC000179785691 878018037 /nfs/dbraw/zinc/01/80/37/878018037.db2.gz FYPASYDSNRUGPP-LJQANCHMSA-N -1 3 383.469 3.838 20 0 GHADHM Cc1cccc(CC2(O)CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000477708516 878064139 /nfs/dbraw/zinc/06/41/39/878064139.db2.gz VAYLLWAAIBPCLY-UHFFFAOYSA-N -1 3 385.479 3.759 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000245579675 878144482 /nfs/dbraw/zinc/14/44/82/878144482.db2.gz AVEXSIHTXRLAKD-UVBSCNOISA-N -1 3 383.448 3.734 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2ccc(C)s2)c(C)c1Cl ZINC000788601409 878198898 /nfs/dbraw/zinc/19/88/98/878198898.db2.gz QFTNSNMCSMCHGI-SECBINFHSA-N -1 3 393.939 3.906 20 0 GHADHM COc1cc(C(=O)NCC2(Nc3ccccc3C)CCCC2)cc(OC)c1[O-] ZINC000615880962 878215909 /nfs/dbraw/zinc/21/59/09/878215909.db2.gz YSJWDUJQMQYERB-UHFFFAOYSA-N -1 3 384.476 3.873 20 0 GHADHM CCc1cccc(C(=O)N2CCC(Oc3c(OC)cccc3OC)CC2)c1[O-] ZINC000530639561 878247261 /nfs/dbraw/zinc/24/72/61/878247261.db2.gz JEGKNYKQUWBDMU-UHFFFAOYSA-N -1 3 385.460 3.655 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@H]2CCCC23CCCCC3)C1)C(F)(F)F ZINC000852428987 878317362 /nfs/dbraw/zinc/31/73/62/878317362.db2.gz XKSAXHHVBGIFOX-GJZGRUSLSA-N -1 3 389.462 3.590 20 0 GHADHM O=S(=O)([N-]c1ccc2c(cnn2C(F)F)c1)C1=Cc2ccccc2OC1 ZINC000788748243 878321246 /nfs/dbraw/zinc/32/12/46/878321246.db2.gz HAWQIGRONNOAAS-UHFFFAOYSA-N -1 3 377.372 3.607 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000537838066 878367187 /nfs/dbraw/zinc/36/71/87/878367187.db2.gz ZHIWRUPURVGKDM-UHFFFAOYSA-N -1 3 377.437 3.883 20 0 GHADHM O=C([N-][C@H]1CN(CC2CC(F)(F)C2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000852504614 878381737 /nfs/dbraw/zinc/38/17/37/878381737.db2.gz KOKOSHNHLMJRCW-GJZGRUSLSA-N -1 3 394.359 3.707 20 0 GHADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(N(C)C)c3)c2C1 ZINC000493105014 878411758 /nfs/dbraw/zinc/41/17/58/878411758.db2.gz KTIHOSIZPQSREY-MRXNPFEDSA-N -1 3 387.549 3.914 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193478803 878489566 /nfs/dbraw/zinc/48/95/66/878489566.db2.gz NADRDDQOWAGEAB-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]NC(=O)c1cccc(Cl)c1 ZINC000180116463 878523818 /nfs/dbraw/zinc/52/38/18/878523818.db2.gz INMCNWWMWKVBIA-UHFFFAOYSA-N -1 3 393.852 3.824 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000177051701 878540080 /nfs/dbraw/zinc/54/00/80/878540080.db2.gz GCBRXSIRJYCART-NWDGAFQWSA-N -1 3 385.851 3.880 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccccc1Br ZINC000789018857 878543246 /nfs/dbraw/zinc/54/32/46/878543246.db2.gz MOCDWAFHYZVCJF-SNVBAGLBSA-N -1 3 389.205 3.860 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccccc1Br ZINC000789018857 878543257 /nfs/dbraw/zinc/54/32/57/878543257.db2.gz MOCDWAFHYZVCJF-SNVBAGLBSA-N -1 3 389.205 3.860 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1Cl ZINC000180289864 878748168 /nfs/dbraw/zinc/74/81/68/878748168.db2.gz FTIMENBPXXJNPE-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000451954667 878763942 /nfs/dbraw/zinc/76/39/42/878763942.db2.gz BDTBVHYMXZIUTG-UHFFFAOYSA-N -1 3 393.690 3.522 20 0 GHADHM [O-]c1ccc(CNC(=S)NCCc2ccc(F)cc2)cc1Br ZINC000789275105 878796811 /nfs/dbraw/zinc/79/68/11/878796811.db2.gz VLVRSQVZFIWACD-UHFFFAOYSA-N -1 3 383.286 3.501 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc2c(c1)COC2 ZINC000530955766 878837160 /nfs/dbraw/zinc/83/71/60/878837160.db2.gz FBJGNONJXWJYOG-UHFFFAOYSA-N -1 3 381.413 3.654 20 0 GHADHM Cc1ccc(C2(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)CCCC2)c(C)c1 ZINC000452153272 879003347 /nfs/dbraw/zinc/00/33/47/879003347.db2.gz FJLHOGPDJKVIKP-UHFFFAOYSA-N -1 3 381.520 3.977 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cscc2Br)n1 ZINC000632466440 879024301 /nfs/dbraw/zinc/02/43/01/879024301.db2.gz WDFKQVRNDNHMFR-ZETCQYMHSA-N -1 3 381.342 3.569 20 0 GHADHM CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)c3ccccc3[S-])C[C@H](C1)O2 ZINC001272012583 879123526 /nfs/dbraw/zinc/12/35/26/879123526.db2.gz BMVIIWAQCAEFOJ-OKZBNKHCSA-N -1 3 376.566 3.717 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000616827032 879134621 /nfs/dbraw/zinc/13/46/21/879134621.db2.gz XWZISCFRIDPMLP-KRWDZBQOSA-N -1 3 382.489 3.550 20 0 GHADHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531135425 879197011 /nfs/dbraw/zinc/19/70/11/879197011.db2.gz PILPVPGMWKHAER-UHFFFAOYSA-N -1 3 394.468 3.594 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000531155529 879259270 /nfs/dbraw/zinc/25/92/70/879259270.db2.gz WKFGCJSHQFAYLO-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000853770704 879272777 /nfs/dbraw/zinc/27/27/77/879272777.db2.gz HEPUHOMREQLXMQ-ROUUACIJSA-N -1 3 380.847 3.742 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789805946 879284911 /nfs/dbraw/zinc/28/49/11/879284911.db2.gz CNPOQMSAKDWCAL-HNNXBMFYSA-N -1 3 392.496 3.653 20 0 GHADHM CO[C@@]1(C)C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000531205835 879322363 /nfs/dbraw/zinc/32/23/63/879322363.db2.gz WAHQGHVDYDKEJO-UWJYYQICSA-N -1 3 384.480 3.825 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1OC ZINC000617217395 879488786 /nfs/dbraw/zinc/48/87/86/879488786.db2.gz RZPUBBRWJZKNAO-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM O=c1[n-]nc(SCc2coc(-c3cccs3)n2)n1CCc1ccccc1 ZINC000007346016 879539556 /nfs/dbraw/zinc/53/95/56/879539556.db2.gz JNDFFKKSORAWEY-UHFFFAOYSA-N -1 3 384.486 3.823 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c1[O-] ZINC000531355724 879651255 /nfs/dbraw/zinc/65/12/55/879651255.db2.gz LVDHPZQMRFJRRP-KRWDZBQOSA-N -1 3 383.448 3.507 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)Cc2cccc(Cl)c2Br)o1 ZINC000914342541 879660744 /nfs/dbraw/zinc/66/07/44/879660744.db2.gz ZPVXHPGVOVWPSS-SECBINFHSA-N -1 3 393.690 3.580 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)c(C)c2)CC1 ZINC000854264929 879677225 /nfs/dbraw/zinc/67/72/25/879677225.db2.gz DCGHKZUNNUYMIL-UHFFFAOYSA-N -1 3 396.516 3.819 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2N1 ZINC000007927722 879680533 /nfs/dbraw/zinc/68/05/33/879680533.db2.gz HZEBBBFRANCSIU-UHFFFAOYSA-N -1 3 380.425 3.774 20 0 GHADHM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000452664609 879833843 /nfs/dbraw/zinc/83/38/43/879833843.db2.gz UHTNESXOGPDLAY-QGZVFWFLSA-N -1 3 395.500 3.899 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC000854603460 879942193 /nfs/dbraw/zinc/94/21/93/879942193.db2.gz IXJXBLXQDOCQTE-XJKSGUPXSA-N -1 3 392.521 3.586 20 0 GHADHM O=C([N-]c1nnc(-c2cc(Cl)cc(Cl)c2)s1)c1cn(CC2CC2)nn1 ZINC000617502298 880031566 /nfs/dbraw/zinc/03/15/66/880031566.db2.gz KQKHMLQLICHQEP-UHFFFAOYSA-N -1 3 395.275 3.766 20 0 GHADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000112601828 880050106 /nfs/dbraw/zinc/05/01/06/880050106.db2.gz GYCHBZAJDNSOQK-UHFFFAOYSA-N -1 3 389.304 3.869 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCOCC1 ZINC000181181521 880062283 /nfs/dbraw/zinc/06/22/83/880062283.db2.gz TZEVSIPVEYCCSM-UHFFFAOYSA-N -1 3 382.485 3.786 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC001183441937 912528418 /nfs/dbraw/zinc/52/84/18/912528418.db2.gz FLYDBAIWNMFSJP-RHSMWYFYSA-N -1 3 389.459 3.521 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC001183441937 912528423 /nfs/dbraw/zinc/52/84/23/912528423.db2.gz FLYDBAIWNMFSJP-RHSMWYFYSA-N -1 3 389.459 3.521 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000854889728 880121326 /nfs/dbraw/zinc/12/13/26/880121326.db2.gz OSXQOEHRTFREHL-STQMWFEESA-N -1 3 380.510 3.537 20 0 GHADHM O=S(=O)([N-]C1(C2CC2)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000531603069 880203405 /nfs/dbraw/zinc/20/34/05/880203405.db2.gz MNAXFSVEWKHYCG-UHFFFAOYSA-N -1 3 384.217 3.689 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCSC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000531637532 880236564 /nfs/dbraw/zinc/23/65/64/880236564.db2.gz JSSCXYSILMVDRR-CYBMUJFWSA-N -1 3 394.493 3.627 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CO2 ZINC000531652727 880270325 /nfs/dbraw/zinc/27/03/25/880270325.db2.gz FTKNWNCQNMXVJA-GOSISDBHSA-N -1 3 376.416 3.721 20 0 GHADHM CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000855164485 880317124 /nfs/dbraw/zinc/31/71/24/880317124.db2.gz KFLWVBFEJSQARS-QGZVFWFLSA-N -1 3 388.508 3.892 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(OC[C@@H]4CCOC4)CC3)o2)cc1 ZINC000901441933 921112536 /nfs/dbraw/zinc/11/25/36/921112536.db2.gz NZJUCMSQDSIUAY-MRXNPFEDSA-N -1 3 385.460 3.662 20 0 GHADHM COC1(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000791322804 880330033 /nfs/dbraw/zinc/33/00/33/880330033.db2.gz NHDURADXTDCSIP-FQEVSTJZSA-N -1 3 397.471 3.756 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1)c1ccsc1 ZINC000791338548 880340825 /nfs/dbraw/zinc/34/08/25/880340825.db2.gz ZWFWIPUCWMECOC-UHFFFAOYSA-N -1 3 386.498 3.703 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113301754 880496187 /nfs/dbraw/zinc/49/61/87/880496187.db2.gz NIKFYTBSURMDHL-NSHDSACASA-N -1 3 394.711 3.655 20 0 GHADHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792057862 880872825 /nfs/dbraw/zinc/87/28/25/880872825.db2.gz LPPSCGPRRQYIHA-HXUWFJFHSA-N -1 3 390.439 3.797 20 0 GHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(C)ccc2C)[n-]c1-c1ccccc1 ZINC000186850913 881005312 /nfs/dbraw/zinc/00/53/12/881005312.db2.gz BLWJCLKXMFTFEN-MRXNPFEDSA-N -1 3 397.500 3.803 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nc(C(F)(F)F)cs2)[n-]c1-c1ccccc1 ZINC000186851342 881005615 /nfs/dbraw/zinc/00/56/15/881005615.db2.gz TWNUVQIEJBHMLA-UHFFFAOYSA-N -1 3 387.408 3.834 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(C(F)(F)F)cs2)nc1-c1ccccc1 ZINC000186851342 881005634 /nfs/dbraw/zinc/00/56/34/881005634.db2.gz TWNUVQIEJBHMLA-UHFFFAOYSA-N -1 3 387.408 3.834 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCC(C(=O)c4ccccc4)CC3)cc(=O)oc12 ZINC000010832952 881028754 /nfs/dbraw/zinc/02/87/54/881028754.db2.gz HTVNWUAIGLYSAR-UHFFFAOYSA-N -1 3 377.440 3.902 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(C)(C)CC(C)(C)C)cc1OC ZINC000532069551 881042903 /nfs/dbraw/zinc/04/29/03/881042903.db2.gz XCXOHCRGINJCBC-UHFFFAOYSA-N -1 3 385.530 3.793 20 0 GHADHM CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275211014 912639785 /nfs/dbraw/zinc/63/97/85/912639785.db2.gz YABOPTDSCUVSRB-LJQANCHMSA-N -1 3 395.341 3.912 20 0 GHADHM CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275211033 912640076 /nfs/dbraw/zinc/64/00/76/912640076.db2.gz YHLAPVUBGLGSGX-UGSOOPFHSA-N -1 3 381.314 3.520 20 0 GHADHM Cc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1NC(=O)OC(C)(C)C ZINC000856372591 881184008 /nfs/dbraw/zinc/18/40/08/881184008.db2.gz NTBBTVZDXOBADG-UHFFFAOYSA-N -1 3 384.436 3.967 20 0 GHADHM O=C1N(C2CCCC2)CC[C@@]12CCCN2Cc1cccc([O-])c1Br ZINC001275210833 912657571 /nfs/dbraw/zinc/65/75/71/912657571.db2.gz XAAHVUNFQXEQMA-IBGZPJMESA-N -1 3 393.325 3.664 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[n-]1 ZINC000187597502 881242161 /nfs/dbraw/zinc/24/21/61/881242161.db2.gz RIYHENVRWPWSQV-UHFFFAOYSA-N -1 3 393.774 3.599 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(OCc2cccnc2)cc1 ZINC000058138757 881316366 /nfs/dbraw/zinc/31/63/66/881316366.db2.gz LFTIQYGRMCPSKC-INIZCTEOSA-N -1 3 399.450 3.993 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2sccc2Br)cc1F ZINC000475748298 883122062 /nfs/dbraw/zinc/12/20/62/883122062.db2.gz NOIGURZMSVFWKC-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM FC(F)(F)c1n[n-]c(CNc2ccc(Br)c(C(F)(F)F)n2)n1 ZINC000804622588 883128515 /nfs/dbraw/zinc/12/85/15/883128515.db2.gz DVPJHCVVDYGTNJ-UHFFFAOYSA-N -1 3 390.085 3.612 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(N2CCCCCC2)cc1 ZINC001129733677 883142548 /nfs/dbraw/zinc/14/25/48/883142548.db2.gz VYWIZUZOPIYNPO-UHFFFAOYSA-N -1 3 380.427 3.639 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(N2CCCCCC2)cc1 ZINC001129733677 883142554 /nfs/dbraw/zinc/14/25/54/883142554.db2.gz VYWIZUZOPIYNPO-UHFFFAOYSA-N -1 3 380.427 3.639 20 0 GHADHM O=C([O-])[C@@]1(NCc2ccc(OCc3ccncc3)cc2)CCc2c1cccc2F ZINC000551057820 883200865 /nfs/dbraw/zinc/20/08/65/883200865.db2.gz FTJISONUYSALQW-HSZRJFAPSA-N -1 3 392.430 3.816 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](c3cnn(C)c3)c3ccc(F)cc3)cc(=O)oc12 ZINC000185424510 883456530 /nfs/dbraw/zinc/45/65/30/883456530.db2.gz LGHUWDNVTMPNHY-OAQYLSRUSA-N -1 3 393.418 3.559 20 0 GHADHM C[C@@H](c1ccco1)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000542498392 883516767 /nfs/dbraw/zinc/51/67/67/883516767.db2.gz IAKYYXOLRGTXQJ-JTQLQIEISA-N -1 3 380.322 3.853 20 0 GHADHM O=C(C[C@@H]1C=CCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000186411129 883643132 /nfs/dbraw/zinc/64/31/32/883643132.db2.gz MFZUNFASTNRWAH-CQSZACIVSA-N -1 3 376.884 3.969 20 0 GHADHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000024427633 883831160 /nfs/dbraw/zinc/83/11/60/883831160.db2.gz ACHQCDBZLNZGOE-UHFFFAOYSA-N -1 3 387.505 3.896 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CC1)c1c[n-]c2ccccc2c1=O ZINC000129922788 883990042 /nfs/dbraw/zinc/99/00/42/883990042.db2.gz YMZONMIXEIKQSP-UHFFFAOYSA-N -1 3 383.245 3.710 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)n[n-]c21 ZINC000859694104 883995012 /nfs/dbraw/zinc/99/50/12/883995012.db2.gz DLCCPCNBKVNVPS-MNOVXSKESA-N -1 3 384.354 3.666 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)[n-]nc21 ZINC000859694104 883995025 /nfs/dbraw/zinc/99/50/25/883995025.db2.gz DLCCPCNBKVNVPS-MNOVXSKESA-N -1 3 384.354 3.666 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc(C)cc(C)c1 ZINC000914516309 884010652 /nfs/dbraw/zinc/01/06/52/884010652.db2.gz JLRXOWDXJFBBAP-UHFFFAOYSA-N -1 3 390.480 3.550 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cc([O-])ccc1Cl ZINC000556210363 884127010 /nfs/dbraw/zinc/12/70/10/884127010.db2.gz QTKQJTVYQRQRKA-AREMUKBSSA-N -1 3 393.892 3.726 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000476179047 884214631 /nfs/dbraw/zinc/21/46/31/884214631.db2.gz VEFQBXRYWVOKKC-QWHCGFSZSA-N -1 3 379.334 3.924 20 0 GHADHM CC1(C)CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000476222896 884277368 /nfs/dbraw/zinc/27/73/68/884277368.db2.gz LMDFFZYQNSOFJY-NSHDSACASA-N -1 3 378.416 3.842 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(OC(F)F)cc3)cc2)n1 ZINC000064446706 884282663 /nfs/dbraw/zinc/28/26/63/884282663.db2.gz SKTRKRCGCZFTPA-UHFFFAOYSA-N -1 3 385.370 3.528 20 0 GHADHM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000729838004 884399308 /nfs/dbraw/zinc/39/93/08/884399308.db2.gz KPHMEULQAOVCHL-SZGUKTLCSA-N -1 3 388.489 3.887 20 0 GHADHM Cc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1Br ZINC000556323423 884474082 /nfs/dbraw/zinc/47/40/82/884474082.db2.gz LSUJRLSFOWDFIH-GOSISDBHSA-N -1 3 378.241 3.913 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccc(Cl)cc2F)no1 ZINC000556346634 884550341 /nfs/dbraw/zinc/55/03/41/884550341.db2.gz ZCPHRDSLWVDESE-UHFFFAOYSA-N -1 3 397.797 3.574 20 0 GHADHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000898216867 884635754 /nfs/dbraw/zinc/63/57/54/884635754.db2.gz XLDLWZAPIQCXGQ-XVROFUPMSA-N -1 3 383.414 3.580 20 0 GHADHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000648747378 884647315 /nfs/dbraw/zinc/64/73/15/884647315.db2.gz ITEUKWWNIFYTGN-UYAOXDASSA-N -1 3 378.472 3.607 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1OCC ZINC000105390014 884734291 /nfs/dbraw/zinc/73/42/91/884734291.db2.gz ANXQPDJAHXUARF-UHFFFAOYSA-N -1 3 375.368 3.702 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)C[C@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC001183861492 912856944 /nfs/dbraw/zinc/85/69/44/912856944.db2.gz GMDFZRYQRABNDB-GFCCVEGCSA-N -1 3 394.353 3.742 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)C[C@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC001183861492 912856958 /nfs/dbraw/zinc/85/69/58/912856958.db2.gz GMDFZRYQRABNDB-GFCCVEGCSA-N -1 3 394.353 3.742 20 0 GHADHM Cc1cccc2nc(CCNC(=O)c3c([O-])cnc4ccc(Cl)cc43)cn21 ZINC001183878623 912869448 /nfs/dbraw/zinc/86/94/48/912869448.db2.gz MRISOWHYRLKKFR-UHFFFAOYSA-N -1 3 380.835 3.522 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccccc3Br)o2)n1 ZINC000761862239 884895291 /nfs/dbraw/zinc/89/52/91/884895291.db2.gz RSPDTHYXFCFKGK-UHFFFAOYSA-N -1 3 379.239 3.595 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)[n-]1 ZINC001183862261 912883295 /nfs/dbraw/zinc/88/32/95/912883295.db2.gz MGZNSAUUXQMBCO-LBPRGKRZSA-N -1 3 394.353 3.742 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c[n-]1 ZINC001183862261 912883311 /nfs/dbraw/zinc/88/33/11/912883311.db2.gz MGZNSAUUXQMBCO-LBPRGKRZSA-N -1 3 394.353 3.742 20 0 GHADHM CCc1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1ccccc1Cl ZINC000498641619 885151071 /nfs/dbraw/zinc/15/10/71/885151071.db2.gz YCTDSHWXAFTGTJ-UHFFFAOYSA-N -1 3 392.850 3.547 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC12CCCCC2 ZINC000532422015 885179978 /nfs/dbraw/zinc/17/99/78/885179978.db2.gz QOAPGYVFGYXILF-LBPRGKRZSA-N -1 3 390.427 3.986 20 0 GHADHM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4c(C)nc(C(C)C)[n-]c4=O)C3)nc2c1 ZINC000762011567 885199982 /nfs/dbraw/zinc/19/99/82/885199982.db2.gz APDQDKOJFCQJRX-OAHLLOKOSA-N -1 3 393.491 3.819 20 0 GHADHM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c(C)nc(C(C)C)[n-]c4=O)C3)[nH]c2c1 ZINC000762011567 885199989 /nfs/dbraw/zinc/19/99/89/885199989.db2.gz APDQDKOJFCQJRX-OAHLLOKOSA-N -1 3 393.491 3.819 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)nc21 ZINC001127330741 885201447 /nfs/dbraw/zinc/20/14/47/885201447.db2.gz JHQFMBRSLNCDSI-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000107355134 885302681 /nfs/dbraw/zinc/30/26/81/885302681.db2.gz POGRWDRDODUFNR-GFCCVEGCSA-N -1 3 381.457 3.965 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)n[n-]2)o1 ZINC000919325967 885335514 /nfs/dbraw/zinc/33/55/14/885335514.db2.gz RBWVOEAWMIMIOQ-HXUWFJFHSA-N -1 3 399.422 3.788 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)[n-]n2)o1 ZINC000919325967 885335538 /nfs/dbraw/zinc/33/55/38/885335538.db2.gz RBWVOEAWMIMIOQ-HXUWFJFHSA-N -1 3 399.422 3.788 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1)[C@H](C)c1ccc(F)cc1 ZINC000919327221 885339180 /nfs/dbraw/zinc/33/91/80/885339180.db2.gz FKRJYVARBNSMDI-CQSZACIVSA-N -1 3 399.422 3.884 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000919327221 885339200 /nfs/dbraw/zinc/33/92/00/885339200.db2.gz FKRJYVARBNSMDI-CQSZACIVSA-N -1 3 399.422 3.884 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)NC[C@@H](c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919328634 885343726 /nfs/dbraw/zinc/34/37/26/885343726.db2.gz QVQAYELCXRRWRO-QGZVFWFLSA-N -1 3 395.459 3.691 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)NC[C@@H](c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919328634 885343746 /nfs/dbraw/zinc/34/37/46/885343746.db2.gz QVQAYELCXRRWRO-QGZVFWFLSA-N -1 3 395.459 3.691 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)NCCc3ccc(C(C)C)cc3)n[n-]2)o1 ZINC000919329724 885350063 /nfs/dbraw/zinc/35/00/63/885350063.db2.gz SEVASXJULCRXOV-UHFFFAOYSA-N -1 3 395.459 3.617 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)NCCc3ccc(C(C)C)cc3)[n-]n2)o1 ZINC000919329724 885350080 /nfs/dbraw/zinc/35/00/80/885350080.db2.gz SEVASXJULCRXOV-UHFFFAOYSA-N -1 3 395.459 3.617 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000130997373 885407697 /nfs/dbraw/zinc/40/76/97/885407697.db2.gz DZBXSODGFCVTRF-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286885901 912949018 /nfs/dbraw/zinc/94/90/18/912949018.db2.gz SIVMHRHZVHWWHW-OAHLLOKOSA-N -1 3 399.491 3.850 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(F)ccc1Cl ZINC000303656910 885666812 /nfs/dbraw/zinc/66/68/12/885666812.db2.gz LXASEUQXMZUFKI-CQSZACIVSA-N -1 3 386.851 3.566 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(C)o1 ZINC000151617615 885716605 /nfs/dbraw/zinc/71/66/05/885716605.db2.gz NRNASGGQBWGRBN-AWEZNQCLSA-N -1 3 378.277 3.702 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3C(C)C)c2)cc1 ZINC000108638740 885778538 /nfs/dbraw/zinc/77/85/38/885778538.db2.gz VXAYEIXXAQZTLR-UHFFFAOYSA-N -1 3 385.489 3.864 20 0 GHADHM C[C@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(Br)c3)cc2)CCO1 ZINC000861766314 885838557 /nfs/dbraw/zinc/83/85/57/885838557.db2.gz NRSHGHYPKJJKLK-LBPRGKRZSA-N -1 3 391.265 3.632 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)ccc1F ZINC000915176834 885922673 /nfs/dbraw/zinc/92/26/73/885922673.db2.gz QTYWQAXKCUFEKX-LESCRADOSA-N -1 3 396.528 3.553 20 0 GHADHM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000476460645 885930324 /nfs/dbraw/zinc/93/03/24/885930324.db2.gz NRTOVTDGLMWNNJ-UHFFFAOYSA-N -1 3 396.191 3.730 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1NC(=O)OC(C)(C)C ZINC000915187823 885962293 /nfs/dbraw/zinc/96/22/93/885962293.db2.gz HRFDHYPMXXMPTG-UHFFFAOYSA-N -1 3 396.440 3.982 20 0 GHADHM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000808076180 885978352 /nfs/dbraw/zinc/97/83/52/885978352.db2.gz PLOABNZPYMINHH-UHFFFAOYSA-N -1 3 390.468 3.627 20 0 GHADHM C[C@@H]([N-]C(=O)c1c(Cl)nccc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000862030786 886066844 /nfs/dbraw/zinc/06/68/44/886066844.db2.gz HQWSAYUEOBHTTG-SCSAIBSYSA-N -1 3 388.655 3.647 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055594898 886091080 /nfs/dbraw/zinc/09/10/80/886091080.db2.gz CBJNKMYZDDPNTG-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640289617 886259262 /nfs/dbraw/zinc/25/92/62/886259262.db2.gz HAUYSJUWNZMYAX-UHFFFAOYSA-N -1 3 381.185 3.838 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000919747357 886276276 /nfs/dbraw/zinc/27/62/76/886276276.db2.gz LXYACKBWTQLBER-CYBMUJFWSA-N -1 3 375.469 3.566 20 0 GHADHM O=c1nc(CN2CCOc3ccc(F)cc32)[n-]c2scc(-c3ccco3)c21 ZINC000131651814 886412444 /nfs/dbraw/zinc/41/24/44/886412444.db2.gz VKDKLFYOVCXLGC-UHFFFAOYSA-N -1 3 383.404 3.783 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)c1[O-] ZINC000556892535 886520528 /nfs/dbraw/zinc/52/05/28/886520528.db2.gz LPFQRGUCWFEZGD-UHFFFAOYSA-N -1 3 380.444 3.654 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1[O-] ZINC000556892026 886523324 /nfs/dbraw/zinc/52/33/24/886523324.db2.gz GIUMHGVZOYPDDR-UHFFFAOYSA-N -1 3 379.416 3.591 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000862676971 886527188 /nfs/dbraw/zinc/52/71/88/886527188.db2.gz LHKBVJAGMCRZFS-OAHLLOKOSA-N -1 3 380.872 3.708 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000762633293 886572796 /nfs/dbraw/zinc/57/27/96/886572796.db2.gz UGAGHIMDWQHKNH-XHDPSFHLSA-N -1 3 391.386 3.635 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccccc4F)n3)nc21 ZINC000532637120 886663090 /nfs/dbraw/zinc/66/30/90/886663090.db2.gz LBIRMLYYYZQZOH-UHFFFAOYSA-N -1 3 396.403 3.864 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291062 886682747 /nfs/dbraw/zinc/68/27/47/886682747.db2.gz VNRRWNPYIMHLLJ-UHFFFAOYSA-N -1 3 381.185 3.838 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000119535197 886710025 /nfs/dbraw/zinc/71/00/25/886710025.db2.gz MDTKOPYUCLGIJQ-UHFFFAOYSA-N -1 3 384.867 3.773 20 0 GHADHM Cc1ncc(CNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c(=O)[n-]1 ZINC000499095365 886780103 /nfs/dbraw/zinc/78/01/03/886780103.db2.gz ICWOKJTUSQPGAK-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]1 ZINC000863299047 887011195 /nfs/dbraw/zinc/01/11/95/887011195.db2.gz TYWFOIMGSPNMPV-QGZVFWFLSA-N -1 3 384.867 3.670 20 0 GHADHM O=C(c1ccsc1)N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC000459331450 887403370 /nfs/dbraw/zinc/40/33/70/887403370.db2.gz UAUMKGXLARTLIP-UHFFFAOYSA-N -1 3 395.322 3.564 20 0 GHADHM COc1ccc(-c2nc(CO[N-]C(=O)Cc3cccc4ccccc43)no2)cc1 ZINC000153723104 887426042 /nfs/dbraw/zinc/42/60/42/887426042.db2.gz SCPYLHOUIZBGHX-UHFFFAOYSA-N -1 3 389.411 3.689 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(C)cccc2C(=O)OC(C)(C)C)c(=O)[n-]1 ZINC001131799589 887634646 /nfs/dbraw/zinc/63/46/46/887634646.db2.gz CIEGKJKLMIWHEA-UHFFFAOYSA-N -1 3 385.464 3.634 20 0 GHADHM Cc1cc(CNCCc2ccc(OCC(=O)[O-])cc2)c(Br)cc1F ZINC000864504086 887808515 /nfs/dbraw/zinc/80/85/15/887808515.db2.gz NRCNWIZUKVFQFJ-UHFFFAOYSA-N -1 3 396.256 3.692 20 0 GHADHM CC(=O)Nc1cccc2c1CCCN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000054367895 887951836 /nfs/dbraw/zinc/95/18/36/887951836.db2.gz KRUOSHPFGKHXRX-UHFFFAOYSA-N -1 3 388.427 3.581 20 0 GHADHM CCC(C)(C)NC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194097570 888022472 /nfs/dbraw/zinc/02/24/72/888022472.db2.gz AWXJVSDYNNMLQH-UHFFFAOYSA-N -1 3 391.518 3.783 20 0 GHADHM Cc1ccc(-c2nc(CN3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)co2)cc1 ZINC000810068653 888155167 /nfs/dbraw/zinc/15/51/67/888155167.db2.gz ARUUQHNWTSZSTI-CQSZACIVSA-N -1 3 381.398 3.541 20 0 GHADHM C[C@H](c1cccc(Br)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068262 888155455 /nfs/dbraw/zinc/15/54/55/888155455.db2.gz LXFUKVGLDUUWQD-NEPJUHHUSA-N -1 3 393.247 3.901 20 0 GHADHM COC(=O)c1cnc(Cl)c([N-]C(=O)c2coc(-c3c(F)cccc3F)n2)c1 ZINC001132077820 888177300 /nfs/dbraw/zinc/17/73/00/888177300.db2.gz UPBSUYCHJJZWON-UHFFFAOYSA-N -1 3 393.733 3.707 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1C ZINC000055583865 888205629 /nfs/dbraw/zinc/20/56/29/888205629.db2.gz AHJOVHNOBPSRCS-SFHVURJKSA-N -1 3 391.489 3.671 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2C)cc1C ZINC000614853133 888258110 /nfs/dbraw/zinc/25/81/10/888258110.db2.gz WQGFWOAHHYXNKB-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM CC[C@@H](C)n1c(SCc2nc3c(c(=O)[n-]2)COCC3)nnc1-c1ccccc1 ZINC000865354671 888312124 /nfs/dbraw/zinc/31/21/24/888312124.db2.gz WGIRAFFGSMNSMW-CYBMUJFWSA-N -1 3 397.504 3.777 20 0 GHADHM CSc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810206658 888317073 /nfs/dbraw/zinc/31/70/73/888317073.db2.gz UPPMMMJKDYOXRG-LBPRGKRZSA-N -1 3 389.443 3.639 20 0 GHADHM CCOc1ccc(CCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000056013963 888332965 /nfs/dbraw/zinc/33/29/65/888332965.db2.gz IYINHJAHHHLOJW-UHFFFAOYSA-N -1 3 391.471 3.969 20 0 GHADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1Cl ZINC000056064543 888358369 /nfs/dbraw/zinc/35/83/69/888358369.db2.gz SQTFOGAMWDOGNQ-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CCC=C(C)C)cc1OC ZINC000454287888 888456379 /nfs/dbraw/zinc/45/63/79/888456379.db2.gz PBWNMFAKPQGLDT-CQSZACIVSA-N -1 3 383.514 3.713 20 0 GHADHM CC(C)Sc1cccc(Cl)c1CNCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865866158 888620943 /nfs/dbraw/zinc/62/09/43/888620943.db2.gz GJPBJKUGNKCLRE-UHFFFAOYSA-N -1 3 379.913 3.699 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc(Cl)ccc3OC)c2)n1 ZINC000061968493 888978325 /nfs/dbraw/zinc/97/83/25/888978325.db2.gz YALBUSCYGCJXAP-UHFFFAOYSA-N -1 3 397.862 3.843 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1OCc1ccccc1 ZINC000866629147 888981616 /nfs/dbraw/zinc/98/16/16/888981616.db2.gz XIZIJPSPLXCRIX-MRXNPFEDSA-N -1 3 391.471 3.685 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1Cl ZINC000866629685 888983209 /nfs/dbraw/zinc/98/32/09/888983209.db2.gz KIEHXRPAXVFADG-LBPRGKRZSA-N -1 3 377.872 3.546 20 0 GHADHM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000796097575 913297977 /nfs/dbraw/zinc/29/79/77/913297977.db2.gz AWPCXRXKYBZJKA-ZBEGNZNMSA-N -1 3 391.386 3.553 20 0 GHADHM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000796097573 913298640 /nfs/dbraw/zinc/29/86/40/913298640.db2.gz AWPCXRXKYBZJKA-MEDUHNTESA-N -1 3 391.386 3.553 20 0 GHADHM CC[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCC(C)CC1 ZINC000810897849 889005299 /nfs/dbraw/zinc/00/52/99/889005299.db2.gz BUQGZPWYPFNSLV-KNIAUWFNSA-N -1 3 376.463 3.756 20 0 GHADHM C[C@]1(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000866736661 889019639 /nfs/dbraw/zinc/01/96/39/889019639.db2.gz ZQBJOADJAJZVLD-GXTWGEPZSA-N -1 3 391.345 3.736 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 ZINC001132542407 889046652 /nfs/dbraw/zinc/04/66/52/889046652.db2.gz NCGFKWOVMCZXQE-RMKNXTFCSA-N -1 3 399.925 3.525 20 0 GHADHM Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000532839558 889059235 /nfs/dbraw/zinc/05/92/35/889059235.db2.gz KKEGUCJOAVFHCR-CQSZACIVSA-N -1 3 388.880 3.966 20 0 GHADHM COC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000796138421 913308641 /nfs/dbraw/zinc/30/86/41/913308641.db2.gz DTKWPLJJENGYNT-UHFFFAOYSA-N -1 3 395.289 3.712 20 0 GHADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000532881162 889154100 /nfs/dbraw/zinc/15/41/00/889154100.db2.gz BGYDPGWVSMNZPW-SUMWQHHRSA-N -1 3 399.318 3.844 20 0 GHADHM O=C([N-]CC1CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)CC1)C(F)(F)F ZINC000868014919 889258593 /nfs/dbraw/zinc/25/85/93/889258593.db2.gz HORLIEWCSMQMEL-UHFFFAOYSA-N -1 3 393.409 3.576 20 0 GHADHM [O-]c1ccc(CNC(=S)NCCCCC(F)(F)F)cc1Br ZINC000794987139 889286765 /nfs/dbraw/zinc/28/67/65/889286765.db2.gz ZGRRLSTUXJUQBA-UHFFFAOYSA-N -1 3 385.249 3.851 20 0 GHADHM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)no1 ZINC000916684179 889339495 /nfs/dbraw/zinc/33/94/95/889339495.db2.gz FDZUKOGHAQPFRB-GOSISDBHSA-N -1 3 379.420 3.823 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)[nH][n-]1 ZINC000532943396 889351026 /nfs/dbraw/zinc/35/10/26/889351026.db2.gz NEZXIYOWMFJFRI-UHFFFAOYSA-N -1 3 397.866 3.806 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)NCc1cc(F)cc(F)c1 ZINC000811394873 889536093 /nfs/dbraw/zinc/53/60/93/889536093.db2.gz LLKXTRZANJIBCE-UHFFFAOYSA-N -1 3 384.791 3.634 20 0 GHADHM O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000811526777 889681964 /nfs/dbraw/zinc/68/19/64/889681964.db2.gz LTZOIZUUFRCYOG-CQSZACIVSA-N -1 3 380.872 3.709 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)c([O-])c1 ZINC000124774506 889756965 /nfs/dbraw/zinc/75/69/65/889756965.db2.gz DMLKMQYYIYWUCG-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000122711140 890029031 /nfs/dbraw/zinc/02/90/31/890029031.db2.gz OHDJSCDXPNUTAF-ABAIWWIYSA-N -1 3 391.386 3.635 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1)C(F)(F)F ZINC000811857047 890050716 /nfs/dbraw/zinc/05/07/16/890050716.db2.gz WWTQJCRFJQZKTP-NSHDSACASA-N -1 3 387.402 3.844 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811880694 890083519 /nfs/dbraw/zinc/08/35/19/890083519.db2.gz NNBUYDOMJPFBOH-GDBMZVCRSA-N -1 3 391.478 3.836 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000033101961 890307390 /nfs/dbraw/zinc/30/73/90/890307390.db2.gz ZKQUDXPJQPGVRT-HIFRSBDPSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812197695 890407714 /nfs/dbraw/zinc/40/77/14/890407714.db2.gz JBQHYUOEHJPWPQ-ARFHVFGLSA-N -1 3 391.478 3.691 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126691288 890651259 /nfs/dbraw/zinc/65/12/59/890651259.db2.gz DUWVVQYNORGGQZ-UHFFFAOYSA-N -1 3 378.222 3.765 20 0 GHADHM Cc1ccc(-c2noc(CCC(=O)[N-]OCCCC(F)(F)F)n2)cc1F ZINC000871211076 890696918 /nfs/dbraw/zinc/69/69/18/890696918.db2.gz DWJHHYKOOGREGW-UHFFFAOYSA-N -1 3 375.322 3.507 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@H]1CC1(C)C ZINC001212219330 890818212 /nfs/dbraw/zinc/81/82/12/890818212.db2.gz FVOHWDYSGBYAEZ-KOLCDFICSA-N -1 3 381.723 3.601 20 0 GHADHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000497325495 890862714 /nfs/dbraw/zinc/86/27/14/890862714.db2.gz DODJFKYYDVZUFY-MRVPVSSYSA-N -1 3 386.233 3.935 20 0 GHADHM CCN(C)c1ccc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)cc1 ZINC000747808977 890893798 /nfs/dbraw/zinc/89/37/98/890893798.db2.gz LGEVBUDZGHTDLJ-UHFFFAOYSA-N -1 3 398.488 3.574 20 0 GHADHM CCC[C@H](C)C[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871878020 891069151 /nfs/dbraw/zinc/06/91/51/891069151.db2.gz BKOCDIRMIFIWPY-GWCFXTLKSA-N -1 3 393.240 3.799 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1cccnc1Cl ZINC001184907825 913527839 /nfs/dbraw/zinc/52/78/39/913527839.db2.gz WLPPZCSVBPMZCR-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM COc1cc(NC([O-])=NO[C@@H]2CCCCO2)c(Cl)cc1Br ZINC000825634501 891365591 /nfs/dbraw/zinc/36/55/91/891365591.db2.gz NRLKADCBTYEPDX-GFCCVEGCSA-N -1 3 379.638 3.691 20 0 GHADHM COc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)c(Cl)cc1Br ZINC000825634501 891365607 /nfs/dbraw/zinc/36/56/07/891365607.db2.gz NRLKADCBTYEPDX-GFCCVEGCSA-N -1 3 379.638 3.691 20 0 GHADHM CCc1nc([C@H]2CCCCN2Cc2cc(=O)oc3cc([O-])c(CC)cc23)no1 ZINC000917184407 891541050 /nfs/dbraw/zinc/54/10/50/891541050.db2.gz NABMQGBQRMIILB-MRXNPFEDSA-N -1 3 383.448 3.734 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1cccc(Br)c1F ZINC001185022422 913582911 /nfs/dbraw/zinc/58/29/11/913582911.db2.gz UPTAXTIDJYVKAI-UHFFFAOYSA-N -1 3 398.297 3.988 20 0 GHADHM CCCCCNC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000030016913 891762960 /nfs/dbraw/zinc/76/29/60/891762960.db2.gz SUJWPUVOCSKPLX-UHFFFAOYSA-N -1 3 386.448 3.582 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(C2CCCCC2)CC1 ZINC000917338417 891797235 /nfs/dbraw/zinc/79/72/35/891797235.db2.gz IDQVLGLHPKJXAX-HXUWFJFHSA-N -1 3 384.520 3.816 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000497574107 891921467 /nfs/dbraw/zinc/92/14/67/891921467.db2.gz DMVKMVOFNFNIMQ-UHFFFAOYSA-N -1 3 387.418 3.564 20 0 GHADHM CCc1cccc(NC(=S)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1 ZINC000917593992 892256184 /nfs/dbraw/zinc/25/61/84/892256184.db2.gz MLIXGRQWJPLXPT-UHFFFAOYSA-N -1 3 393.534 3.828 20 0 GHADHM CSc1ncc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)n1-c1ccccc1 ZINC000497743769 892349054 /nfs/dbraw/zinc/34/90/54/892349054.db2.gz VDZIWBGTBKIHSS-UHFFFAOYSA-N -1 3 380.433 3.533 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C)C)c(Cl)cc1Cl ZINC000875119534 892455573 /nfs/dbraw/zinc/45/55/73/892455573.db2.gz CWHAHVGLYNPVGG-NSHDSACASA-N -1 3 395.352 3.941 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(Br)c2)s1 ZINC000645094536 913669650 /nfs/dbraw/zinc/66/96/50/913669650.db2.gz MQTIXJTUSWNQHY-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCOc3ccc(F)cc3)nc2)n1 ZINC000068661855 892527680 /nfs/dbraw/zinc/52/76/80/892527680.db2.gz CDVFHFACYQQPTA-UHFFFAOYSA-N -1 3 382.439 3.805 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000825781728 892538043 /nfs/dbraw/zinc/53/80/43/892538043.db2.gz HFOSCENHUAIMAA-FQEVSTJZSA-N -1 3 377.843 3.699 20 0 GHADHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000154546688 892679827 /nfs/dbraw/zinc/67/98/27/892679827.db2.gz AGSYQBYGZDEHGQ-GFCCVEGCSA-N -1 3 384.860 3.505 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Br)ccc1Br ZINC000154568555 892782801 /nfs/dbraw/zinc/78/28/01/892782801.db2.gz RBUZNUOFWUTMCC-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)ccc1Br ZINC000154568555 892782815 /nfs/dbraw/zinc/78/28/15/892782815.db2.gz RBUZNUOFWUTMCC-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM COc1ccc(-c2nc(CC(=O)Nc3cccc([O-])c3F)cs2)cc1OC ZINC000129043933 892932452 /nfs/dbraw/zinc/93/24/52/892932452.db2.gz GJFCTNOCUZWVHX-UHFFFAOYSA-N -1 3 388.420 3.853 20 0 GHADHM O=C1[C@H](NCc2cccc([O-])c2Cl)CCN1c1cccc(Br)c1 ZINC000645177531 913730552 /nfs/dbraw/zinc/73/05/52/913730552.db2.gz OQSRBCFCMKUBEA-CQSZACIVSA-N -1 3 395.684 3.703 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)c3cccc(OC)c3)nc21 ZINC001134753246 893288847 /nfs/dbraw/zinc/28/88/47/893288847.db2.gz IIMHAPAUUREZCC-CYBMUJFWSA-N -1 3 381.432 3.881 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]Cc1cc(-c2ccccc2)no1 ZINC001185279852 913762553 /nfs/dbraw/zinc/76/25/53/913762553.db2.gz CLIFRBQIKKGRMV-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2)cc1C ZINC000187479578 893441351 /nfs/dbraw/zinc/44/13/51/893441351.db2.gz NBTMZTTVRSUZEF-KRWDZBQOSA-N -1 3 388.427 3.541 20 0 GHADHM CCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000563211332 893484549 /nfs/dbraw/zinc/48/45/49/893484549.db2.gz KCBGKDUACKICSV-NRFANRHFSA-N -1 3 380.488 3.902 20 0 GHADHM O=c1cc(CN2CCC[C@@H]2c2ccc(Br)cn2)nc(C2CC2)[n-]1 ZINC000459447154 893539969 /nfs/dbraw/zinc/53/99/69/893539969.db2.gz GFCBJZJLHYZSAA-OAHLLOKOSA-N -1 3 375.270 3.554 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)[n-]1 ZINC000498196412 893549434 /nfs/dbraw/zinc/54/94/34/893549434.db2.gz QPHQPQKEIOAJPQ-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000825953436 893559108 /nfs/dbraw/zinc/55/91/08/893559108.db2.gz AXJQCTDHWYQMHC-FQEVSTJZSA-N -1 3 382.476 3.520 20 0 GHADHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459478716 893589039 /nfs/dbraw/zinc/58/90/39/893589039.db2.gz KQCBYZGMGLKAPL-HNNXBMFYSA-N -1 3 390.491 3.675 20 0 GHADHM CCOc1cc(CN2CCN([C@H](C)c3nccs3)CC2)cc(Cl)c1[O-] ZINC000459483839 893596438 /nfs/dbraw/zinc/59/64/38/893596438.db2.gz SGZJPZKKPRZDPR-CYBMUJFWSA-N -1 3 381.929 3.780 20 0 GHADHM COC(=O)[C@@H](NCc1cccc([O-])c1Br)c1ccc(C)c(C)c1 ZINC000459496392 893624356 /nfs/dbraw/zinc/62/43/56/893624356.db2.gz HECFOUXJOFFAHB-KRWDZBQOSA-N -1 3 378.266 3.775 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000536760010 893752852 /nfs/dbraw/zinc/75/28/52/893752852.db2.gz FCKVNAAKRIRZMU-APPDUMDISA-N -1 3 387.860 3.542 20 0 GHADHM NC(=O)c1ccc(CN(Cc2cccc([O-])c2Br)C2CC2)c(F)c1 ZINC000459557947 893801366 /nfs/dbraw/zinc/80/13/66/893801366.db2.gz MMUSHRZOIIIJRS-UHFFFAOYSA-N -1 3 393.256 3.557 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000877904041 893882867 /nfs/dbraw/zinc/88/28/67/893882867.db2.gz CFUFMKMYZQCRJN-UHFFFAOYSA-N -1 3 381.476 3.976 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1cc([O-])ccc1Cl)Cc1cccc2ccccc21 ZINC000556137580 893918876 /nfs/dbraw/zinc/91/88/76/893918876.db2.gz UTGNXAYWBKQMEO-INIZCTEOSA-N -1 3 397.858 3.961 20 0 GHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878010689 893944662 /nfs/dbraw/zinc/94/46/62/893944662.db2.gz JZQGGESOGVVJBP-UHFFFAOYSA-N -1 3 381.398 3.684 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000878015396 893949460 /nfs/dbraw/zinc/94/94/60/893949460.db2.gz CKRQUZRRORAZAF-QGZVFWFLSA-N -1 3 383.423 3.763 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000934897462 894016163 /nfs/dbraw/zinc/01/61/63/894016163.db2.gz MNOWKZQPFXIMFO-UHFFFAOYSA-N -1 3 398.776 3.591 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000934897462 894016185 /nfs/dbraw/zinc/01/61/85/894016185.db2.gz MNOWKZQPFXIMFO-UHFFFAOYSA-N -1 3 398.776 3.591 20 0 GHADHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536896845 894053781 /nfs/dbraw/zinc/05/37/81/894053781.db2.gz LOWSUYYHJHWCAH-UHFFFAOYSA-N -1 3 385.488 3.519 20 0 GHADHM O=C(NCc1ccco1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185391161 913834511 /nfs/dbraw/zinc/83/45/11/913834511.db2.gz VSMXHBKWOFWMSW-UHFFFAOYSA-N -1 3 396.877 3.725 20 0 GHADHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CC[C@@H](C)c2ccccc21 ZINC001135173406 894156109 /nfs/dbraw/zinc/15/61/09/894156109.db2.gz FHINXAQIWASOCS-ZUOKHONESA-N -1 3 391.389 4.000 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1[O-] ZINC000563827792 894237071 /nfs/dbraw/zinc/23/70/71/894237071.db2.gz SUVTVGMFKFKRHD-UHFFFAOYSA-N -1 3 386.411 3.640 20 0 GHADHM CC(C)OC(=O)C[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878401156 894261782 /nfs/dbraw/zinc/26/17/82/894261782.db2.gz PKYPLPSAELSFDG-KRWDZBQOSA-N -1 3 381.432 3.615 20 0 GHADHM O=c1[n-]c(CN(Cc2ccccc2C(F)(F)F)CC2CC2)nc2c1COCC2 ZINC000878598408 894426110 /nfs/dbraw/zinc/42/61/10/894426110.db2.gz GQLUTPJDYWZOGD-UHFFFAOYSA-N -1 3 393.409 3.686 20 0 GHADHM Cc1ccoc1COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000816102736 894478255 /nfs/dbraw/zinc/47/82/55/894478255.db2.gz WHDZPEMRCVHCEP-UHFFFAOYSA-N -1 3 389.404 3.885 20 0 GHADHM Cc1nc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cs1 ZINC000537324554 894776590 /nfs/dbraw/zinc/77/65/90/894776590.db2.gz CRLQEVZPWJANCB-UHFFFAOYSA-N -1 3 391.493 3.681 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cnc2Br)ccc1Cl ZINC001185494840 913915454 /nfs/dbraw/zinc/91/54/54/913915454.db2.gz QWXCPRKWLCJOFG-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1[O-] ZINC000816888391 895163464 /nfs/dbraw/zinc/16/34/64/895163464.db2.gz LYXFJGCZLZHBAF-BETUJISGSA-N -1 3 386.423 3.600 20 0 GHADHM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000879647004 895199947 /nfs/dbraw/zinc/19/99/47/895199947.db2.gz ZAGTYYYHCVJVGV-FQEVSTJZSA-N -1 3 391.874 3.645 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185532453 913944863 /nfs/dbraw/zinc/94/48/63/913944863.db2.gz PDGAYVMAQWSRHG-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([O-])ccc3Cl)CC[C@@H]21 ZINC000817004118 895256549 /nfs/dbraw/zinc/25/65/49/895256549.db2.gz UBTVRTHFBWJXGI-LRDDRELGSA-N -1 3 380.872 3.517 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc3ncccc3c1)CC2 ZINC000565105762 895389765 /nfs/dbraw/zinc/38/97/65/895389765.db2.gz NIESGCOQZCAJMI-HXUWFJFHSA-N -1 3 392.455 3.826 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCc1ccsc1 ZINC000826167379 895734072 /nfs/dbraw/zinc/73/40/72/895734072.db2.gz AROLUWOVWKXAQB-UHFFFAOYSA-N -1 3 378.841 3.519 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCc1ccsc1 ZINC000826167379 895734086 /nfs/dbraw/zinc/73/40/86/895734086.db2.gz AROLUWOVWKXAQB-UHFFFAOYSA-N -1 3 378.841 3.519 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(Cl)cc2OC)cc1[N-]S(C)(=O)=O ZINC000817581013 895751930 /nfs/dbraw/zinc/75/19/30/895751930.db2.gz ODGLAZPSCYFPGC-LLVKDONJSA-N -1 3 384.885 3.902 20 0 GHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645655472 914006892 /nfs/dbraw/zinc/00/68/92/914006892.db2.gz UCJVSOXIKVWELV-LURJTMIESA-N -1 3 385.713 3.858 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccc1F ZINC001136044219 895947758 /nfs/dbraw/zinc/94/77/58/895947758.db2.gz HTMSPKFBVBQPDL-UHFFFAOYSA-N -1 3 394.428 3.840 20 0 GHADHM COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(N)cc2[O-])cc1OC ZINC000817930318 895979298 /nfs/dbraw/zinc/97/92/98/895979298.db2.gz APVQBYFTPGNFDC-KRWDZBQOSA-N -1 3 384.476 3.619 20 0 GHADHM Nc1ccc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c([O-])c1 ZINC000818022690 895998707 /nfs/dbraw/zinc/99/87/07/895998707.db2.gz MFDRBNCCEZGZHJ-MRXNPFEDSA-N -1 3 389.293 3.974 20 0 GHADHM Cc1cccc(C(=O)[N-]NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000124417522 914028841 /nfs/dbraw/zinc/02/88/41/914028841.db2.gz OVYZYSPSUAMLAI-UHFFFAOYSA-N -1 3 388.802 3.694 20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000818329148 896115269 /nfs/dbraw/zinc/11/52/69/896115269.db2.gz PGVJFACPXOGMLS-LJQANCHMSA-N -1 3 387.524 3.725 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000818336306 896118192 /nfs/dbraw/zinc/11/81/92/896118192.db2.gz AIPFATIIMPBNCR-NSHDSACASA-N -1 3 384.885 3.902 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)CCC2CCCC2)c2ccc(Cl)cc2)no1 ZINC000566602370 896408824 /nfs/dbraw/zinc/40/88/24/896408824.db2.gz BYGCCGNEHUHSOG-MRXNPFEDSA-N -1 3 383.901 3.621 20 0 GHADHM CSC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228219 896533684 /nfs/dbraw/zinc/53/36/84/896533684.db2.gz ITLDUZCHCFRCQX-KBPBESRZSA-N -1 3 396.520 3.645 20 0 GHADHM CSC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228219 896533697 /nfs/dbraw/zinc/53/36/97/896533697.db2.gz ITLDUZCHCFRCQX-KBPBESRZSA-N -1 3 396.520 3.645 20 0 GHADHM O=C([N-]c1sc2c(c1C(=O)c1cccnc1)CCC2)c1cc(C2CC2)no1 ZINC000567111466 896883000 /nfs/dbraw/zinc/88/30/00/896883000.db2.gz STZHKOZFUSNCIH-UHFFFAOYSA-N -1 3 379.441 3.981 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc([O-])cc(Br)c2)cc1)C1CC1 ZINC001136268407 897005039 /nfs/dbraw/zinc/00/50/39/897005039.db2.gz MPMLPIXJNSVYOL-UHFFFAOYSA-N -1 3 376.206 3.722 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(OCC)c2)c(F)cc1C ZINC000567256500 897011983 /nfs/dbraw/zinc/01/19/83/897011983.db2.gz MHMHEGAGDYIYBZ-UHFFFAOYSA-N -1 3 381.425 3.510 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819945951 897075098 /nfs/dbraw/zinc/07/50/98/897075098.db2.gz IFJKUUWDDUKCIU-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000820098380 897154578 /nfs/dbraw/zinc/15/45/78/897154578.db2.gz XOBHJCRNRAEKDC-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000820098380 897154589 /nfs/dbraw/zinc/15/45/89/897154589.db2.gz XOBHJCRNRAEKDC-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1F ZINC001136304944 897171600 /nfs/dbraw/zinc/17/16/00/897171600.db2.gz UDHHHANUVPAVAT-UHFFFAOYSA-N -1 3 398.459 3.653 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000820261001 897244192 /nfs/dbraw/zinc/24/41/92/897244192.db2.gz LAMKKZRAYXPBGG-OAHLLOKOSA-N -1 3 398.536 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000820261001 897244206 /nfs/dbraw/zinc/24/42/06/897244206.db2.gz LAMKKZRAYXPBGG-OAHLLOKOSA-N -1 3 398.536 3.727 20 0 GHADHM Cc1nc(SC(F)(F)F)sc1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218361 897246782 /nfs/dbraw/zinc/24/67/82/897246782.db2.gz JDTUEDYOLNQMMC-UHFFFAOYSA-N -1 3 388.396 3.827 20 0 GHADHM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc2c(c1)OCO2 ZINC000567595921 897280376 /nfs/dbraw/zinc/28/03/76/897280376.db2.gz SPAOGFHOINRDBJ-UHFFFAOYSA-N -1 3 377.824 3.668 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000567595408 897280547 /nfs/dbraw/zinc/28/05/47/897280547.db2.gz GONUCHLITNCYOQ-WWMYMODYSA-N -1 3 380.488 3.515 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342088 897281151 /nfs/dbraw/zinc/28/11/51/897281151.db2.gz SYKBPOWFPPJIFA-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342088 897281167 /nfs/dbraw/zinc/28/11/67/897281167.db2.gz SYKBPOWFPPJIFA-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000567858066 897457847 /nfs/dbraw/zinc/45/78/47/897457847.db2.gz ULNZZEKWXFGXTH-IFIJOSMWSA-N -1 3 399.318 3.842 20 0 GHADHM Cc1ccncc1C=CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826315817 897508301 /nfs/dbraw/zinc/50/83/01/897508301.db2.gz VATHOXVCXRQCQZ-ZHACJKMWSA-N -1 3 396.454 3.567 20 0 GHADHM Cc1ccncc1C=CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826315817 897508306 /nfs/dbraw/zinc/50/83/06/897508306.db2.gz VATHOXVCXRQCQZ-ZHACJKMWSA-N -1 3 396.454 3.567 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C(C)(C)C1 ZINC000820743425 897529503 /nfs/dbraw/zinc/52/95/03/897529503.db2.gz UGKNBDLYDXQNLA-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C(C)(C)C1 ZINC000820743425 897529516 /nfs/dbraw/zinc/52/95/16/897529516.db2.gz UGKNBDLYDXQNLA-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000568022085 897540101 /nfs/dbraw/zinc/54/01/01/897540101.db2.gz IMYXIYNGEBKEPW-UHFFFAOYSA-N -1 3 397.269 3.696 20 0 GHADHM NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000042521246 897589535 /nfs/dbraw/zinc/58/95/35/897589535.db2.gz DRZBGWNEMYZCHX-UHFFFAOYSA-N -1 3 379.652 3.547 20 0 GHADHM Cc1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(-c2ccccc2)s1 ZINC000826323690 897603341 /nfs/dbraw/zinc/60/33/41/897603341.db2.gz NYTHNKNSYJEJHR-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(-c2ccccc2)s1 ZINC000826323690 897603349 /nfs/dbraw/zinc/60/33/49/897603349.db2.gz NYTHNKNSYJEJHR-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1nc(C)cs1 ZINC000132140290 897687307 /nfs/dbraw/zinc/68/73/07/897687307.db2.gz ZJIJINLIYHEUDW-INIZCTEOSA-N -1 3 386.926 3.911 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(OCCC(C)C)c2)c([O-])c1 ZINC001136416533 897739530 /nfs/dbraw/zinc/73/95/30/897739530.db2.gz VTGOCXSNUQUTOO-UHFFFAOYSA-N -1 3 384.476 3.884 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132701657 897878468 /nfs/dbraw/zinc/87/84/68/897878468.db2.gz DEMFRACAWUPQGC-UHFFFAOYSA-N -1 3 391.805 3.807 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C2SCCS2)cc1 ZINC001275483311 914208355 /nfs/dbraw/zinc/20/83/55/914208355.db2.gz JTHWTXAUYMAXSK-UHFFFAOYSA-N -1 3 387.465 3.737 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C2SCCS2)cc1 ZINC001275483311 914208369 /nfs/dbraw/zinc/20/83/69/914208369.db2.gz JTHWTXAUYMAXSK-UHFFFAOYSA-N -1 3 387.465 3.737 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCCc3cccnc32)[nH][n-]1 ZINC000568834093 898146037 /nfs/dbraw/zinc/14/60/37/898146037.db2.gz YOAMMUACWXMZRB-CQSZACIVSA-N -1 3 382.851 3.614 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c(F)c1 ZINC000568838407 898150794 /nfs/dbraw/zinc/15/07/94/898150794.db2.gz WUSYLWZTORIQBI-UHFFFAOYSA-N -1 3 377.437 3.933 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826369246 898200043 /nfs/dbraw/zinc/20/00/43/898200043.db2.gz TYPQUVVWHKHYMM-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826369246 898200056 /nfs/dbraw/zinc/20/00/56/898200056.db2.gz TYPQUVVWHKHYMM-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000106007401 898246116 /nfs/dbraw/zinc/24/61/16/898246116.db2.gz ARXIDTYLOIQNIP-ZDUSSCGKSA-N -1 3 388.489 3.858 20 0 GHADHM Cc1ccc(CCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)s1 ZINC000822236347 898263530 /nfs/dbraw/zinc/26/35/30/898263530.db2.gz VEIHSAMTPWSZHD-UHFFFAOYSA-N -1 3 385.493 3.985 20 0 GHADHM Cc1ccc(CCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000822236347 898263535 /nfs/dbraw/zinc/26/35/35/898263535.db2.gz VEIHSAMTPWSZHD-UHFFFAOYSA-N -1 3 385.493 3.985 20 0 GHADHM COc1nn(C)cc1C(=O)[N-]c1cc(Cl)ccc1SCC(F)(F)F ZINC000883962579 898272542 /nfs/dbraw/zinc/27/25/42/898272542.db2.gz PZCIHAYSFNCSRP-UHFFFAOYSA-N -1 3 379.791 3.989 20 0 GHADHM Cc1cscc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822414448 898360436 /nfs/dbraw/zinc/36/04/36/898360436.db2.gz GALLMKZQJPMWIP-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1cscc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822414448 898360445 /nfs/dbraw/zinc/36/04/45/898360445.db2.gz GALLMKZQJPMWIP-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM CCc1ccc(C(=O)NC[C@H](C)Oc2ccccc2Br)c([O-])c1 ZINC001137200920 898371266 /nfs/dbraw/zinc/37/12/66/898371266.db2.gz VQTRABWHCZZKRD-LBPRGKRZSA-N -1 3 378.266 3.914 20 0 GHADHM CC(C)(C)c1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1 ZINC001186030019 914262192 /nfs/dbraw/zinc/26/21/92/914262192.db2.gz GWVOFTRKGGBISW-LJQANCHMSA-N -1 3 377.488 3.893 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1ccc2ccccc2c1 ZINC000800108251 898610126 /nfs/dbraw/zinc/61/01/26/898610126.db2.gz VKFGCTNKPISAPP-SJFMBGHLSA-N -1 3 399.443 3.783 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000110619688 898732383 /nfs/dbraw/zinc/73/23/83/898732383.db2.gz POZSFVVTGKUZMX-KGLIPLIRSA-N -1 3 398.406 3.819 20 0 GHADHM O=C(OCc1cc(Br)cc2cccnc21)c1cccc2nn[n-]c21 ZINC000800209368 898744753 /nfs/dbraw/zinc/74/47/53/898744753.db2.gz ZXLVFSHAXQMOQD-UHFFFAOYSA-N -1 3 383.205 3.626 20 0 GHADHM O=C(OCc1cc(Br)cc2cccnc21)c1cccc2[n-]nnc21 ZINC000800209368 898744760 /nfs/dbraw/zinc/74/47/60/898744760.db2.gz ZXLVFSHAXQMOQD-UHFFFAOYSA-N -1 3 383.205 3.626 20 0 GHADHM O=C(OCc1cc(Br)cc2cccnc21)c1cccc2n[n-]nc21 ZINC000800209368 898744765 /nfs/dbraw/zinc/74/47/65/898744765.db2.gz ZXLVFSHAXQMOQD-UHFFFAOYSA-N -1 3 383.205 3.626 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1C ZINC000112266830 898863042 /nfs/dbraw/zinc/86/30/42/898863042.db2.gz SPMBTQFVUOYMNI-UHFFFAOYSA-N -1 3 395.546 3.818 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000646157742 914294031 /nfs/dbraw/zinc/29/40/31/914294031.db2.gz DOPNNNZILPPTPY-QGZVFWFLSA-N -1 3 395.931 3.619 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823257271 898922071 /nfs/dbraw/zinc/92/20/71/898922071.db2.gz GWYGEQVVMCHLQV-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823257271 898922081 /nfs/dbraw/zinc/92/20/81/898922081.db2.gz GWYGEQVVMCHLQV-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(-c2cccnc2)no1 ZINC000331699831 899088825 /nfs/dbraw/zinc/08/88/25/899088825.db2.gz VNUWVECIARQAGM-MRXNPFEDSA-N -1 3 392.525 3.719 20 0 GHADHM COc1cc(F)c([C@@H](C)NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1OC ZINC000114501103 899089263 /nfs/dbraw/zinc/08/92/63/899089263.db2.gz RTZVUFZRIPRQLN-GFCCVEGCSA-N -1 3 387.407 3.814 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C[C@H]1CCc2cc(F)ccc2C1 ZINC001186162272 914315836 /nfs/dbraw/zinc/31/58/36/914315836.db2.gz WQIDKIBFLYFNBK-NSHDSACASA-N -1 3 375.371 3.591 20 0 GHADHM CCSCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829275 899141576 /nfs/dbraw/zinc/14/15/76/899141576.db2.gz JNNONQNVANFMMX-HOCLYGCPSA-N -1 3 390.471 3.632 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)N=c2[nH][n-]cc2Br)cc1 ZINC000646213267 914326866 /nfs/dbraw/zinc/32/68/66/914326866.db2.gz YOPNPLAZDHNSGH-UHFFFAOYSA-N -1 3 387.237 3.599 20 0 GHADHM O=C(C[C@H]1CCc2cc(F)ccc2C1)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001186147633 914329065 /nfs/dbraw/zinc/32/90/65/914329065.db2.gz MGAREUSOFUCALJ-AWEZNQCLSA-N -1 3 392.434 3.503 20 0 GHADHM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000116711237 899303054 /nfs/dbraw/zinc/30/30/54/899303054.db2.gz OPYOAIHYGPHUGR-UHFFFAOYSA-N -1 3 395.546 3.638 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H](C)C1 ZINC001136799577 899326161 /nfs/dbraw/zinc/32/61/61/899326161.db2.gz VDXARUGOQIHASK-UEKVPHQBSA-N -1 3 377.282 3.845 20 0 GHADHM Cc1ccc([C@H]2COCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)o1 ZINC000116894346 899327304 /nfs/dbraw/zinc/32/73/04/899327304.db2.gz MYKCMCLNRSTAPL-CQSZACIVSA-N -1 3 397.456 3.720 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000824015802 899334083 /nfs/dbraw/zinc/33/40/83/899334083.db2.gz ZSMPHOCXQIVWBD-OAHLLOKOSA-N -1 3 388.431 3.595 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000824015802 899334098 /nfs/dbraw/zinc/33/40/98/899334098.db2.gz ZSMPHOCXQIVWBD-OAHLLOKOSA-N -1 3 388.431 3.595 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@H]2CCCc3ccccc32)c1 ZINC001136813792 899360813 /nfs/dbraw/zinc/36/08/13/899360813.db2.gz MNXLFUITKCARLZ-NRFANRHFSA-N -1 3 394.471 3.731 20 0 GHADHM CCc1ccc(-c2noc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)n2)cc1 ZINC000570569370 899397660 /nfs/dbraw/zinc/39/76/60/899397660.db2.gz PIYASISFYJHTAV-MOPGFXCFSA-N -1 3 377.444 3.599 20 0 GHADHM Cc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(C)n1Cc1ccccc1 ZINC000824154139 899431213 /nfs/dbraw/zinc/43/12/13/899431213.db2.gz GUCQBLDOJARDQX-UHFFFAOYSA-N -1 3 378.476 3.622 20 0 GHADHM C[C@@H](NC(=O)COC1(C)CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480078 899624256 /nfs/dbraw/zinc/62/42/56/899624256.db2.gz SLZUAYONKZTMNV-OAHLLOKOSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)COC1(C)CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480078 899624265 /nfs/dbraw/zinc/62/42/65/899624265.db2.gz SLZUAYONKZTMNV-OAHLLOKOSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824536970 899662826 /nfs/dbraw/zinc/66/28/26/899662826.db2.gz BLESNVMPSMNSKY-ACJLOTCBSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824536970 899662828 /nfs/dbraw/zinc/66/28/28/899662828.db2.gz BLESNVMPSMNSKY-ACJLOTCBSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824539586 899700194 /nfs/dbraw/zinc/70/01/94/899700194.db2.gz OMFDZSNRVRXPOY-ACJLOTCBSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539586 899700202 /nfs/dbraw/zinc/70/02/02/899700202.db2.gz OMFDZSNRVRXPOY-ACJLOTCBSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@H](NCc1nnsc1Cl)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824633427 899728918 /nfs/dbraw/zinc/72/89/18/899728918.db2.gz NDPUYVBORYYFIL-NSHDSACASA-N -1 3 397.895 3.889 20 0 GHADHM C[C@H](NCc1nnsc1Cl)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824633427 899728927 /nfs/dbraw/zinc/72/89/27/899728927.db2.gz NDPUYVBORYYFIL-NSHDSACASA-N -1 3 397.895 3.889 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)c(C)c1C ZINC000332524119 899735179 /nfs/dbraw/zinc/73/51/79/899735179.db2.gz DJFJKGKVTSCBNT-UHFFFAOYSA-N -1 3 399.516 3.644 20 0 GHADHM CC(C)CCc1nnc([N-]C(=O)c2nc(C3CC3)ncc2Br)s1 ZINC000824684399 899763834 /nfs/dbraw/zinc/76/38/34/899763834.db2.gz QXFOCBHDXNWLMH-UHFFFAOYSA-N -1 3 396.314 3.809 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000824753110 899808049 /nfs/dbraw/zinc/80/80/49/899808049.db2.gz CJJZRIVAKXOYCQ-NSHDSACASA-N -1 3 399.442 3.769 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000824753110 899808053 /nfs/dbraw/zinc/80/80/53/899808053.db2.gz CJJZRIVAKXOYCQ-NSHDSACASA-N -1 3 399.442 3.769 20 0 GHADHM COc1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1 ZINC000571301942 899818871 /nfs/dbraw/zinc/81/88/71/899818871.db2.gz USJHTPDDZRVAGQ-UHFFFAOYSA-N -1 3 397.500 3.523 20 0 GHADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)C1 ZINC000824897884 899867184 /nfs/dbraw/zinc/86/71/84/899867184.db2.gz CFGCKXKKNNXCDB-KXBFYZLASA-N -1 3 393.466 3.971 20 0 GHADHM C[C@H]1CC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)C1 ZINC000824897884 899867195 /nfs/dbraw/zinc/86/71/95/899867195.db2.gz CFGCKXKKNNXCDB-KXBFYZLASA-N -1 3 393.466 3.971 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001186262132 914397406 /nfs/dbraw/zinc/39/74/06/914397406.db2.gz UMHHGUDYHLWOJZ-CJNGLKHVSA-N -1 3 385.501 3.743 20 0 GHADHM CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825159184 900020544 /nfs/dbraw/zinc/02/05/44/900020544.db2.gz KVQKAYUWGBXOJK-FZKQIMNGSA-N -1 3 381.505 3.853 20 0 GHADHM CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825159184 900020555 /nfs/dbraw/zinc/02/05/55/900020555.db2.gz KVQKAYUWGBXOJK-FZKQIMNGSA-N -1 3 381.505 3.853 20 0 GHADHM O=C(NCc1cccc(COC2CCOCC2)c1)c1cc([O-])ccc1Cl ZINC000572052736 900046894 /nfs/dbraw/zinc/04/68/94/900046894.db2.gz KCVJUYGRBRIQNY-UHFFFAOYSA-N -1 3 375.852 3.671 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(SC(F)(F)F)c1 ZINC000825304933 900080804 /nfs/dbraw/zinc/08/08/04/900080804.db2.gz OKALAZRIMJYBRF-UHFFFAOYSA-N -1 3 383.395 3.992 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000825319017 900089896 /nfs/dbraw/zinc/08/98/96/900089896.db2.gz VRUGXRAYSLVBPS-CQSZACIVSA-N -1 3 396.499 3.787 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000825319017 900089905 /nfs/dbraw/zinc/08/99/05/900089905.db2.gz VRUGXRAYSLVBPS-CQSZACIVSA-N -1 3 396.499 3.787 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)OCc1nnc(-c3ccccc3[O-])o1)CCC2 ZINC000884572062 900177946 /nfs/dbraw/zinc/17/79/46/900177946.db2.gz FGGMVNMCBVCHJU-HNNXBMFYSA-N -1 3 380.400 3.614 20 0 GHADHM O=S(=O)([N-]c1ncccc1Br)c1ccc(OC2CCCC2)cc1 ZINC000135234906 900206429 /nfs/dbraw/zinc/20/64/29/900206429.db2.gz JVGDFTZYQMNGTL-UHFFFAOYSA-N -1 3 397.294 3.966 20 0 GHADHM CO[C@@H](CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000572533939 900215989 /nfs/dbraw/zinc/21/59/89/900215989.db2.gz FXKUGZMTINFHDD-ROUUACIJSA-N -1 3 390.277 3.648 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCCC1=CCCCC1 ZINC000826421133 900221612 /nfs/dbraw/zinc/22/16/12/900221612.db2.gz TVGWIZVXZDKPEM-UHFFFAOYSA-N -1 3 377.901 3.619 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCCC1=CCCCC1 ZINC000826421133 900221622 /nfs/dbraw/zinc/22/16/22/900221622.db2.gz TVGWIZVXZDKPEM-UHFFFAOYSA-N -1 3 377.901 3.619 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000025398068 900234604 /nfs/dbraw/zinc/23/46/04/900234604.db2.gz IFVNGJBLVCOTRQ-SNVBAGLBSA-N -1 3 391.880 3.584 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1nnc2ccccc2c1[O-] ZINC000844008548 900446925 /nfs/dbraw/zinc/44/69/25/900446925.db2.gz GMAPTXOPNMMGPP-ZIAGYGMSSA-N -1 3 387.443 3.668 20 0 GHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451521 900608320 /nfs/dbraw/zinc/60/83/20/900608320.db2.gz KBQDZOJHLRGFIK-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451521 900608326 /nfs/dbraw/zinc/60/83/26/900608326.db2.gz KBQDZOJHLRGFIK-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc2cc[nH]c2n1 ZINC000826457290 900649045 /nfs/dbraw/zinc/64/90/45/900649045.db2.gz VCXISOXJXBGRBJ-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1CCc2c1cccc2Cl ZINC000826460969 900677422 /nfs/dbraw/zinc/67/74/22/900677422.db2.gz ZVBBSMNXSWUWKQ-LLVKDONJSA-N -1 3 385.880 3.739 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1CCc2c1cccc2Cl ZINC000826460969 900677427 /nfs/dbraw/zinc/67/74/27/900677427.db2.gz ZVBBSMNXSWUWKQ-LLVKDONJSA-N -1 3 385.880 3.739 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N(C)C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000056229935 900873334 /nfs/dbraw/zinc/87/33/34/900873334.db2.gz NTSDUYWGAYTDJA-ZJUUUORDSA-N -1 3 377.491 3.516 20 0 GHADHM COc1cccc([O-])c1C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC001144072533 901021529 /nfs/dbraw/zinc/02/15/29/901021529.db2.gz ONPNXEZSLXQALS-UHFFFAOYSA-N -1 3 375.852 3.532 20 0 GHADHM O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1cc([O-])ccc1Cl ZINC000576076737 901653035 /nfs/dbraw/zinc/65/30/35/901653035.db2.gz LNMZLYQCBUVTMM-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM Cc1cc(C)c(N2CC[C@@H](OC(=O)c3ccc(N)c(Cl)c3[O-])C2=O)c(C)c1 ZINC000845193196 901930314 /nfs/dbraw/zinc/93/03/14/901930314.db2.gz RQQPGDVEBIRZAK-OAHLLOKOSA-N -1 3 388.851 3.515 20 0 GHADHM Nc1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)c([O-])c1Cl ZINC000845193283 901930541 /nfs/dbraw/zinc/93/05/41/901930541.db2.gz OMAYKMPKGRCTSZ-SFHVURJKSA-N -1 3 388.851 3.538 20 0 GHADHM O=C1C(=Cc2ccc([O-])c(F)c2)NC(=S)N1c1ccccc1C(F)(F)F ZINC000158805792 902149850 /nfs/dbraw/zinc/14/98/50/902149850.db2.gz BRHPSBKQIKDLRH-XYOKQWHBSA-N -1 3 382.338 3.812 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C[C@@H]3CCCO3)C(F)(F)F)c2)n1 ZINC000845475069 902191391 /nfs/dbraw/zinc/19/13/91/902191391.db2.gz DHUUCAMVVRJFDM-DZGCQCFKSA-N -1 3 396.365 3.811 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@@H](CO)Cc2ccccc21 ZINC000646524397 914609890 /nfs/dbraw/zinc/60/98/90/914609890.db2.gz WUNLMOCELHQNQN-INIZCTEOSA-N -1 3 375.424 3.996 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1C[C@@H](CO)Cc2ccccc21 ZINC000646528393 914614614 /nfs/dbraw/zinc/61/46/14/914614614.db2.gz QJGWROFGSMLLAL-SFHVURJKSA-N -1 3 389.451 3.783 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)n1 ZINC001144548240 902358727 /nfs/dbraw/zinc/35/87/27/902358727.db2.gz CFWPSLRMEDLCSQ-IBGZPJMESA-N -1 3 383.835 3.581 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144629125 902533494 /nfs/dbraw/zinc/53/34/94/902533494.db2.gz VCEKQKFMYNSPLK-RBUKOAKNSA-N -1 3 385.435 3.759 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(F)c([O-])cc3F)C2)CC1 ZINC001144648844 902552440 /nfs/dbraw/zinc/55/24/40/902552440.db2.gz ZDWHFYCYNQLZCE-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1[O-] ZINC000577518586 902838719 /nfs/dbraw/zinc/83/87/19/902838719.db2.gz ZHTRLOMPLAQNBL-INIZCTEOSA-N -1 3 395.459 3.786 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(OC)c3)no2)nc1C1CC1 ZINC000600820535 902959001 /nfs/dbraw/zinc/95/90/01/902959001.db2.gz PKGJRZBUGDFPDT-UHFFFAOYSA-N -1 3 399.428 3.723 20 0 GHADHM O=C(CCCCCc1cccs1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290502134 914709092 /nfs/dbraw/zinc/70/90/92/914709092.db2.gz YGSVYTLVTOPDFQ-AWEZNQCLSA-N -1 3 390.471 3.768 20 0 GHADHM C[C@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCCC1 ZINC000265123449 903647172 /nfs/dbraw/zinc/64/71/72/903647172.db2.gz DWMUINMZCJZTND-NZQKXSOJSA-N -1 3 386.536 3.829 20 0 GHADHM Cc1cccc(C(C)(C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001147211165 903727112 /nfs/dbraw/zinc/72/71/12/903727112.db2.gz OGWSFYFWEDITCN-UHFFFAOYSA-N -1 3 380.897 3.685 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C[C@@H]1CCC2(CCCC2)O1)C(F)(F)F ZINC001171318366 903945190 /nfs/dbraw/zinc/94/51/90/903945190.db2.gz BIWANKOXTJNXGY-CVEARBPZSA-N -1 3 382.426 3.588 20 0 GHADHM Cc1cccc(N2CCC[C@@]3(CN(C(=O)c4ccc(C)cc4[O-])CCO3)C2)c1 ZINC001148499206 904099349 /nfs/dbraw/zinc/09/93/49/904099349.db2.gz ZPEHJKKBYJBIQJ-QHCPKHFHSA-N -1 3 380.488 3.521 20 0 GHADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000578756150 904101158 /nfs/dbraw/zinc/10/11/58/904101158.db2.gz GPJKDNCDOWIAQW-YOEHRIQHSA-N -1 3 388.291 3.574 20 0 GHADHM CCOC(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001148827138 904207925 /nfs/dbraw/zinc/20/79/25/904207925.db2.gz JUTACKJFNNIULV-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(Cl)cc1C(F)(F)F ZINC001148959937 904259137 /nfs/dbraw/zinc/25/91/37/904259137.db2.gz NFFKJVGBESNJMZ-UHFFFAOYSA-N -1 3 383.713 3.966 20 0 GHADHM CC(C)(O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000773019111 904380448 /nfs/dbraw/zinc/38/04/48/904380448.db2.gz OTXMWZPAUGQOTA-UHFFFAOYSA-N -1 3 380.318 3.761 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(OC(C)C)c1 ZINC000187885033 904847589 /nfs/dbraw/zinc/84/75/89/904847589.db2.gz XGNJORRJWQGDIE-MRXNPFEDSA-N -1 3 382.460 3.888 20 0 GHADHM C[C@@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000187941232 904853495 /nfs/dbraw/zinc/85/34/95/904853495.db2.gz MBUXOCKSSSVZQO-SECBINFHSA-N -1 3 397.218 3.607 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000188122957 904876345 /nfs/dbraw/zinc/87/63/45/904876345.db2.gz JNALPPQTRYBMFF-XMHGGMMESA-N -1 3 395.890 3.687 20 0 GHADHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCCN1Cc1ccc(F)cc1F ZINC000188560423 904940366 /nfs/dbraw/zinc/94/03/66/904940366.db2.gz JQLMJPMQQBOHMY-OLGPUJBVSA-N -1 3 378.806 3.934 20 0 GHADHM CCCC1CCC(N(C)C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)CC1 ZINC000626644239 905203274 /nfs/dbraw/zinc/20/32/74/905203274.db2.gz KGYQNQIBSGTUCQ-UHFFFAOYSA-N -1 3 386.492 3.976 20 0 GHADHM Cc1sc(C2(NC(=O)c3cc(=O)[n-]cn3)CCC2)nc1-c1ccccc1F ZINC000627554928 905613302 /nfs/dbraw/zinc/61/33/02/905613302.db2.gz DOMNBJPARJBTFS-UHFFFAOYSA-N -1 3 384.436 3.562 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000627686198 905700740 /nfs/dbraw/zinc/70/07/40/905700740.db2.gz XJVCYSKSUVBWIK-CABCVRRESA-N -1 3 386.492 3.882 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cc4ccccc4o3)nc(=O)c2c1C ZINC000176678335 905913483 /nfs/dbraw/zinc/91/34/83/905913483.db2.gz NRJCSNHKZZWUPI-LLVKDONJSA-N -1 3 397.456 3.677 20 0 GHADHM COc1ccc(COc2ccc(-c3noc(-c4cnc[n-]c4=O)n3)c(F)c2)cc1 ZINC001212754906 906677774 /nfs/dbraw/zinc/67/77/74/906677774.db2.gz UXDRXALKKATPDU-UHFFFAOYSA-N -1 3 394.362 3.626 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)s1 ZINC000191287203 906850996 /nfs/dbraw/zinc/85/09/96/906850996.db2.gz DMDWSLRXWOFHAI-UHFFFAOYSA-N -1 3 382.888 3.949 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)c1 ZINC000629755018 907014421 /nfs/dbraw/zinc/01/44/21/907014421.db2.gz STJOHTBDSAYNIL-QGZVFWFLSA-N -1 3 376.403 3.689 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(N)c(C)c2)ccc1OCc1ccccc1 ZINC001174445130 907038851 /nfs/dbraw/zinc/03/88/51/907038851.db2.gz XKDNPRPDGQQWMX-UHFFFAOYSA-N -1 3 398.484 3.966 20 0 GHADHM CCOc1nnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC001174745164 907204774 /nfs/dbraw/zinc/20/47/74/907204774.db2.gz NJMPAAMXOHYRPH-UHFFFAOYSA-N -1 3 396.234 3.737 20 0 GHADHM CCOc1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n[n-]1 ZINC001174745164 907204783 /nfs/dbraw/zinc/20/47/83/907204783.db2.gz NJMPAAMXOHYRPH-UHFFFAOYSA-N -1 3 396.234 3.737 20 0 GHADHM CCOc1n[n-]c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC001174745164 907204795 /nfs/dbraw/zinc/20/47/95/907204795.db2.gz NJMPAAMXOHYRPH-UHFFFAOYSA-N -1 3 396.234 3.737 20 0 GHADHM O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001174754121 907208212 /nfs/dbraw/zinc/20/82/12/907208212.db2.gz LPHJAMUXPIZEDL-KRWDZBQOSA-N -1 3 397.456 3.927 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3CCCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000630465654 907294966 /nfs/dbraw/zinc/29/49/66/907294966.db2.gz LBGMKKBOOLVVDE-ZWKOTPCHSA-N -1 3 390.505 3.854 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001175196331 907408065 /nfs/dbraw/zinc/40/80/65/907408065.db2.gz XOHKSTYKORIDRI-OLZOCXBDSA-N -1 3 398.463 3.569 20 0 GHADHM COC(=O)c1cc(Br)c(Nc2c(F)ccc([O-])c2F)cc1OC ZINC001175267929 907477976 /nfs/dbraw/zinc/47/79/76/907477976.db2.gz DKGVUNHWSGPBHV-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2c(OC(C)C)ccc3ccccc32)c(=O)[n-]1 ZINC000184167547 907528717 /nfs/dbraw/zinc/52/87/17/907528717.db2.gz PAODSIYMBRPVBT-UHFFFAOYSA-N -1 3 393.487 3.576 20 0 GHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)n(-c2cccc(Br)c2)n1 ZINC001175427178 907546781 /nfs/dbraw/zinc/54/67/81/907546781.db2.gz IUYWTPKEZQLHET-UHFFFAOYSA-N -1 3 396.252 3.867 20 0 GHADHM Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1I ZINC001175431769 907550541 /nfs/dbraw/zinc/55/05/41/907550541.db2.gz MOWMLZKUDNOMKM-UHFFFAOYSA-N -1 3 377.189 3.523 20 0 GHADHM CC(C)OCc1nc([C@@H](C)N=c2nc[n-]c3c(-c4ccccc4)nsc32)no1 ZINC000631278753 907661002 /nfs/dbraw/zinc/66/10/02/907661002.db2.gz NCGHMUIOKDDWFT-GFCCVEGCSA-N -1 3 396.476 3.656 20 0 GHADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)o1 ZINC000184907483 907677126 /nfs/dbraw/zinc/67/71/26/907677126.db2.gz JMMPGFQHAUXQOZ-UHFFFAOYSA-N -1 3 386.481 3.654 20 0 GHADHM CCCO[C@@H](C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccc(F)cc1C ZINC001176858817 908298139 /nfs/dbraw/zinc/29/81/39/908298139.db2.gz NEILNFULXSCQFO-GOSISDBHSA-N -1 3 385.439 3.517 20 0 GHADHM O=C(Nc1c(Cl)ccc([O-])c1Cl)C1CCN(Cc2ccccn2)CC1 ZINC001177212855 908455227 /nfs/dbraw/zinc/45/52/27/908455227.db2.gz GSRMLODFVFZFKD-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM O=C1[N-]C(=O)/C(=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c2ccccc21 ZINC000777468147 908537326 /nfs/dbraw/zinc/53/73/26/908537326.db2.gz OZHAJLWGDCYPQG-NVMNQCDNSA-N -1 3 397.356 3.761 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299540408 921426627 /nfs/dbraw/zinc/42/66/27/921426627.db2.gz UGZNWTPHWLFANL-HXUWFJFHSA-N -1 3 388.471 3.597 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccnc(C(F)(F)F)c2)c([O-])c1 ZINC001177571084 908647195 /nfs/dbraw/zinc/64/71/95/908647195.db2.gz LIKCGABAXXNIRF-UHFFFAOYSA-N -1 3 396.365 3.943 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC001177719708 908706241 /nfs/dbraw/zinc/70/62/41/908706241.db2.gz CYCIADZNXCBCJQ-KRWDZBQOSA-N -1 3 388.423 3.753 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192627946 908804228 /nfs/dbraw/zinc/80/42/28/908804228.db2.gz DTMWYCQBISMRHD-OAHLLOKOSA-N -1 3 388.537 3.630 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1ccc(-c2ccccn2)cc1 ZINC001177948720 908833529 /nfs/dbraw/zinc/83/35/29/908833529.db2.gz HEIJYYQCMMTLRX-UHFFFAOYSA-N -1 3 380.375 3.561 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(C)C ZINC000193445803 908876953 /nfs/dbraw/zinc/87/69/53/908876953.db2.gz VLWWYSOCMVNJKL-VWLOTQADSA-N -1 3 395.546 3.806 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ncccc2C(F)F)c([O-])c1 ZINC001178439946 909040349 /nfs/dbraw/zinc/04/03/49/909040349.db2.gz HPXVNEHSHZMHRC-UHFFFAOYSA-N -1 3 378.375 3.861 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001178619139 909150709 /nfs/dbraw/zinc/15/07/09/909150709.db2.gz QVHPNDLODXTOKJ-CQSZACIVSA-N -1 3 376.453 3.571 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC001179182719 909397941 /nfs/dbraw/zinc/39/79/41/909397941.db2.gz IKOPJDSMIQHCNM-SFYZADRCSA-N -1 3 391.191 3.567 20 0 GHADHM Cc1nc(-c2cccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)c2)cs1 ZINC000636318981 909536043 /nfs/dbraw/zinc/53/60/43/909536043.db2.gz HWGCTTLKHXNVLH-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1F ZINC000267835633 909666062 /nfs/dbraw/zinc/66/60/62/909666062.db2.gz LTRSVSQIYPNEKN-CQSZACIVSA-N -1 3 394.450 3.810 20 0 GHADHM O=c1nc(CSCCO[C@@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000901740355 921525201 /nfs/dbraw/zinc/52/52/01/921525201.db2.gz GAYRNSPTUWISCE-LLVKDONJSA-N -1 3 378.475 3.696 20 0 GHADHM O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)c1cccc2n[n-]nc21 ZINC001180161029 909998023 /nfs/dbraw/zinc/99/80/23/909998023.db2.gz OATZXYCBGLIQCB-UHFFFAOYSA-N -1 3 393.350 3.761 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180225776 910023472 /nfs/dbraw/zinc/02/34/72/910023472.db2.gz IQXIGIQLVMROAO-UAPYVXQJSA-N -1 3 391.471 3.947 20 0 GHADHM Cc1cc(CN[C@@H](CCOC(C)(C)C)C(=O)[O-])c(Br)cc1F ZINC000901761143 921542567 /nfs/dbraw/zinc/54/25/67/921542567.db2.gz WWKUKANEUZJEDJ-AWEZNQCLSA-N -1 3 376.266 3.645 20 0 GHADHM CCc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)ccc1F ZINC000795368445 910088584 /nfs/dbraw/zinc/08/85/84/910088584.db2.gz UQWRVGPBKOJQON-UHFFFAOYSA-N -1 3 390.358 3.690 20 0 GHADHM CCO[C@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2Br)C12CCCC2 ZINC000901781209 921558134 /nfs/dbraw/zinc/55/81/34/921558134.db2.gz BKBNUYPMIDWNMK-CVEARBPZSA-N -1 3 382.298 3.975 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1OC ZINC000299663488 921561119 /nfs/dbraw/zinc/56/11/19/921561119.db2.gz QZNXZQDIXVLYAZ-UHFFFAOYSA-N -1 3 394.468 3.512 20 0 GHADHM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1cc(=O)[n-]c(C)n1)OCC3 ZINC001180822147 910363866 /nfs/dbraw/zinc/36/38/66/910363866.db2.gz ARYGIPIZYCDUDX-JOCHJYFZSA-N -1 3 394.475 3.741 20 0 GHADHM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1n[n-]c(-c2ccccc2)c1Br ZINC000795477364 910583708 /nfs/dbraw/zinc/58/37/08/910583708.db2.gz UHXSKDYPHQUKAC-DGCLKSJQSA-N -1 3 379.254 3.547 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc(OC)c1[O-] ZINC000270697908 910664595 /nfs/dbraw/zinc/66/45/95/910664595.db2.gz DUTRAMLBIQLFRZ-SGTLLEGYSA-N -1 3 391.851 3.665 20 0 GHADHM O=C(CC1c2ccccc2-c2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC001181308193 910701915 /nfs/dbraw/zinc/70/19/15/910701915.db2.gz GAKDPWXPYBRZPK-UHFFFAOYSA-N -1 3 381.439 3.686 20 0 GHADHM O=C(CC1c2ccccc2-c2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC001181308193 910701927 /nfs/dbraw/zinc/70/19/27/910701927.db2.gz GAKDPWXPYBRZPK-UHFFFAOYSA-N -1 3 381.439 3.686 20 0 GHADHM CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000270943247 910735564 /nfs/dbraw/zinc/73/55/64/910735564.db2.gz CVIMBHDQTPCUBW-UHFFFAOYSA-N -1 3 391.855 3.648 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C(C)C)C3CC3)c2)c1 ZINC000271275820 910842607 /nfs/dbraw/zinc/84/26/07/910842607.db2.gz NFKXXGPNOKHLTD-UHFFFAOYSA-N -1 3 398.459 3.675 20 0 GHADHM CCOc1cccc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640292723 910955500 /nfs/dbraw/zinc/95/55/00/910955500.db2.gz NUDOWZIBTPRFMA-JTQLQIEISA-N -1 3 390.793 3.802 20 0 GHADHM CN(Cc1ccc(F)c(Cl)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301854 910959894 /nfs/dbraw/zinc/95/98/94/910959894.db2.gz KMKHPNCISVTEAW-UHFFFAOYSA-N -1 3 399.175 3.977 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000640313576 910965726 /nfs/dbraw/zinc/96/57/26/910965726.db2.gz NQFAUBYHXVLZIY-UHFFFAOYSA-N -1 3 397.704 3.669 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)c1 ZINC001181887731 911063215 /nfs/dbraw/zinc/06/32/15/911063215.db2.gz OTTRETYPDVFTQV-UHFFFAOYSA-N -1 3 376.497 3.816 20 0 GHADHM CC(=O)N1CCC[C@@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)C1 ZINC000273895202 911090989 /nfs/dbraw/zinc/09/09/89/911090989.db2.gz NUAPDEMPQONNQA-GOSISDBHSA-N -1 3 377.444 3.759 20 0 GHADHM O=C(Cc1cccc(OCc2cccc(F)c2)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC001182198278 911267783 /nfs/dbraw/zinc/26/77/83/911267783.db2.gz ARQCRBXRPGTXSQ-UHFFFAOYSA-N -1 3 394.328 3.723 20 0 GHADHM O=C(Cc1cccc(OCc2cccc(F)c2)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001182198278 911267795 /nfs/dbraw/zinc/26/77/95/911267795.db2.gz ARQCRBXRPGTXSQ-UHFFFAOYSA-N -1 3 394.328 3.723 20 0 GHADHM CCC(C)(C)NC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000774157354 911457980 /nfs/dbraw/zinc/45/79/80/911457980.db2.gz PNGBAFJMUJKANN-UHFFFAOYSA-N -1 3 383.945 3.759 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(OC(F)F)c(F)c1)c2=O ZINC001182412497 911625076 /nfs/dbraw/zinc/62/50/76/911625076.db2.gz BIFFDEJBZJAAIS-UHFFFAOYSA-N -1 3 378.306 3.530 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(-n3ccnc3)c(Cl)c1)c2=O ZINC001182492071 911842258 /nfs/dbraw/zinc/84/22/58/911842258.db2.gz YOBHJLOBCLVEMW-UHFFFAOYSA-N -1 3 394.818 3.628 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000642214812 911872716 /nfs/dbraw/zinc/87/27/16/911872716.db2.gz JPKRBGZUMFEKQZ-UHFFFAOYSA-N -1 3 389.477 3.560 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000642323542 911981153 /nfs/dbraw/zinc/98/11/53/911981153.db2.gz RVBJKYGIUSXKSH-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(C(F)(F)F)[nH]c1=O ZINC000642323582 911982574 /nfs/dbraw/zinc/98/25/74/911982574.db2.gz TUJJCPJKMWGLLG-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000642442995 912078304 /nfs/dbraw/zinc/07/83/04/912078304.db2.gz FDTXLAVBDACRTE-SFHVURJKSA-N -1 3 395.532 3.832 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1ccc(F)c(Br)c1 ZINC001186973831 914929278 /nfs/dbraw/zinc/92/92/78/914929278.db2.gz JHJQTUNPZIVWBZ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1c(F)c(F)ccc1CO ZINC001187071917 915002947 /nfs/dbraw/zinc/00/29/47/915002947.db2.gz WKJBKOTWBNBEHK-UHFFFAOYSA-N -1 3 382.215 3.706 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)sc1Br ZINC001187073013 915005093 /nfs/dbraw/zinc/00/50/93/915005093.db2.gz URZQDFTTYPHRDO-OLZOCXBDSA-N -1 3 386.336 3.729 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1)C(F)(F)F ZINC000291213634 915041105 /nfs/dbraw/zinc/04/11/05/915041105.db2.gz VRFJOBADUZHHEM-ZDUSSCGKSA-N -1 3 396.434 3.946 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nc([C@H]3CCCN3)no2)c1 ZINC000647155839 915057910 /nfs/dbraw/zinc/05/79/10/915057910.db2.gz JOKMGRFKKCWMLZ-QGZVFWFLSA-N -1 3 398.488 3.579 20 0 GHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1c2ncsc2ccc1Cl ZINC001187155904 915066074 /nfs/dbraw/zinc/06/60/74/915066074.db2.gz IOYMGZSSLDIUKL-AWEZNQCLSA-N -1 3 396.921 3.742 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187181287 915072810 /nfs/dbraw/zinc/07/28/10/915072810.db2.gz RANKAPVDDXSSHZ-UHFFFAOYSA-N -1 3 387.324 3.894 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc(F)cc2Cl)CCCC1 ZINC001187189093 915080882 /nfs/dbraw/zinc/08/08/82/915080882.db2.gz XJNQJVDZNQFGCC-UHFFFAOYSA-N -1 3 391.892 3.553 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(Cl)cc(Cl)c2)c(F)c1F ZINC001187198296 915086763 /nfs/dbraw/zinc/08/67/63/915086763.db2.gz QVHNGERJNDWBGR-LBPRGKRZSA-N -1 3 396.242 3.592 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2ccn(C)c21)c1nc(C2CCCCC2)no1 ZINC001187453579 915260154 /nfs/dbraw/zinc/26/01/54/915260154.db2.gz KHIRXDSECNSAMP-CYBMUJFWSA-N -1 3 388.493 3.649 20 0 GHADHM CC(C)Cn1nccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000648002907 915470732 /nfs/dbraw/zinc/47/07/32/915470732.db2.gz YDGJWPBBTAKPKD-UHFFFAOYSA-N -1 3 390.915 3.749 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1Cl)c1ccc(Cl)nc1Cl ZINC001187926267 915621058 /nfs/dbraw/zinc/62/10/58/915621058.db2.gz BBBBCFVNALVDEL-UHFFFAOYSA-N -1 3 383.659 3.702 20 0 GHADHM O=S(=O)([N-]CCCCCCCCCCO)c1ccc(Cl)nc1Cl ZINC001187982131 915663386 /nfs/dbraw/zinc/66/33/86/915663386.db2.gz UNLMVKFWZUWFLV-UHFFFAOYSA-N -1 3 383.341 3.780 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](COc2c(C)cccc2C)c2ccccc2)nn1 ZINC001187990585 915668654 /nfs/dbraw/zinc/66/86/54/915668654.db2.gz PYMOTXFSYPCIAO-IBGZPJMESA-N -1 3 397.500 3.500 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1c(F)ccc2F)c1cnc(Cl)c(Cl)c1 ZINC001188098016 915756152 /nfs/dbraw/zinc/75/61/52/915756152.db2.gz UXRXRTADVIOTIB-GFCCVEGCSA-N -1 3 379.215 3.632 20 0 GHADHM CN1CCCC[C@H]1C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188195857 915805868 /nfs/dbraw/zinc/80/58/68/915805868.db2.gz HAUUUJLHYJJWJY-LBPRGKRZSA-N -1 3 399.944 3.541 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC(C)(C)c2ccccc21 ZINC001188290408 915851310 /nfs/dbraw/zinc/85/13/10/915851310.db2.gz UEZVRRITHUNXMC-CYBMUJFWSA-N -1 3 381.929 3.515 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c(F)cn1 ZINC001188432163 915941035 /nfs/dbraw/zinc/94/10/35/915941035.db2.gz YNYHMZHJQGEZMH-UHFFFAOYSA-N -1 3 376.384 3.836 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)c1ccc2ccccc2c1 ZINC001188507637 916022261 /nfs/dbraw/zinc/02/22/61/916022261.db2.gz MPXDSRQDNYBQTO-NRFANRHFSA-N -1 3 397.496 3.790 20 0 GHADHM Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2c(C)cccc2[O-])C3)c1 ZINC001188640837 916099137 /nfs/dbraw/zinc/09/91/37/916099137.db2.gz ZYSVZXMWEAYBPT-XXBNENTESA-N -1 3 380.488 3.863 20 0 GHADHM Cc1c2ccccc2nc(NC[C@@H](c2ccco2)N2CCCCC2)c1C(=O)[O-] ZINC000649382924 916131044 /nfs/dbraw/zinc/13/10/44/916131044.db2.gz KMZOZJALMABJQJ-SFHVURJKSA-N -1 3 379.460 3.895 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H](C)[C@H]1OC ZINC001188731553 916163232 /nfs/dbraw/zinc/16/32/32/916163232.db2.gz DIOCPFLRJNWGEZ-COLVAYQJSA-N -1 3 397.434 3.963 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c(F)c1 ZINC001188826854 916234713 /nfs/dbraw/zinc/23/47/13/916234713.db2.gz CUGCNFVRJCMJDG-UHFFFAOYSA-N -1 3 398.415 3.886 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CC2)c1ccc(Oc2cccnc2)cc1 ZINC001188902957 916289851 /nfs/dbraw/zinc/28/98/51/916289851.db2.gz XRZOVSKPMSCACZ-HXUWFJFHSA-N -1 3 382.441 3.654 20 0 GHADHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1(C)C ZINC001188970599 916317786 /nfs/dbraw/zinc/31/77/86/916317786.db2.gz YWHQDYROTPJQNQ-QWHCGFSZSA-N -1 3 388.942 3.820 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1Cl ZINC001189317530 916547917 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COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC001190077220 917112808 /nfs/dbraw/zinc/11/28/08/917112808.db2.gz GKQIWTZQFQPGJI-UHFFFAOYSA-N -1 3 393.530 3.935 20 0 GHADHM COc1cc([O-])c(C(=O)NCC2(Cc3ccccc3OC)CCC2)c(OC)c1 ZINC001190147443 917127952 /nfs/dbraw/zinc/12/79/52/917127952.db2.gz DMKPZWPTVSITSF-UHFFFAOYSA-N -1 3 385.460 3.561 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1F ZINC001190339953 917270263 /nfs/dbraw/zinc/27/02/63/917270263.db2.gz IOGGGBVXCUZGJH-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C)c1F ZINC001190506797 917371508 /nfs/dbraw/zinc/37/15/08/917371508.db2.gz MJBRCXCRLSNVPG-UHFFFAOYSA-N -1 3 381.400 3.738 20 0 GHADHM CC[C@H]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000295694036 917426529 /nfs/dbraw/zinc/42/65/29/917426529.db2.gz JTCCQKLPAMDUET-FUHWJXTLSA-N -1 3 382.508 3.818 20 0 GHADHM C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001191053806 917727901 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Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C1CC1 ZINC001191339926 917914453 /nfs/dbraw/zinc/91/44/53/917914453.db2.gz HRSNSFNWNLYJTF-RYUDHWBXSA-N -1 3 378.357 3.924 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC12CCCC2 ZINC000652571118 917933346 /nfs/dbraw/zinc/93/33/46/917933346.db2.gz ILGZSWNTCDCHCP-HXUWFJFHSA-N -1 3 378.472 3.799 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@H](C)C2)cc1Cl ZINC001191394198 917953550 /nfs/dbraw/zinc/95/35/50/917953550.db2.gz IUCKERINRSMWTK-GMXVVIOVSA-N -1 3 390.908 3.931 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)cc1 ZINC001191456351 918026036 /nfs/dbraw/zinc/02/60/36/918026036.db2.gz UGBAWCRKTNHNKV-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CCOC(=O)C1=C([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)CCC1 ZINC001191771246 918177119 /nfs/dbraw/zinc/17/71/19/918177119.db2.gz NLEOAFBFASPCKC-UHFFFAOYSA-N -1 3 378.277 3.581 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001191788844 918221294 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O=S(=O)([N-]N=c1[nH]cc(C(F)(F)F)cc1Cl)c1ccccc1Cl ZINC000016147859 919408812 /nfs/dbraw/zinc/40/88/12/919408812.db2.gz JSBRHTZWOUDSRZ-UHFFFAOYSA-N -1 3 386.182 3.713 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000275923030 919483226 /nfs/dbraw/zinc/48/32/26/919483226.db2.gz VGZLVBVRFNEGLU-ZIAGYGMSSA-N -1 3 385.464 3.506 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C)nc3c2CCCC3)cc1OC ZINC000900027092 919760410 /nfs/dbraw/zinc/76/04/10/919760410.db2.gz UVINDFUZXODVCQ-IBGZPJMESA-N -1 3 384.476 3.592 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000800262594 919803798 /nfs/dbraw/zinc/80/37/98/919803798.db2.gz LUUGVVQHMOHHBO-NSHDSACASA-N -1 3 384.411 3.579 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000800262594 919803803 /nfs/dbraw/zinc/80/38/03/919803803.db2.gz LUUGVVQHMOHHBO-NSHDSACASA-N -1 3 384.411 3.579 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000800262594 919803813 /nfs/dbraw/zinc/80/38/13/919803813.db2.gz LUUGVVQHMOHHBO-NSHDSACASA-N -1 3 384.411 3.579 20 0 GHADHM COc1cc2c(c(CNCCc3cc4ccc(C(=O)[O-])cc4o3)c1)O[C@@H](C)C2 ZINC000900074523 919805444 /nfs/dbraw/zinc/80/54/44/919805444.db2.gz URMRWNILKZYSRW-ZDUSSCGKSA-N -1 3 381.428 3.795 20 0 GHADHM O=C([O-])[C@H](CNCc1cc(Br)cnc1Cl)CC1CCCC1 ZINC000900083644 919821201 /nfs/dbraw/zinc/82/12/01/919821201.db2.gz KELBXXLAVPZOHC-LBPRGKRZSA-N -1 3 375.694 3.868 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3[n-]nnc32)cc1)c1ccccc1 ZINC000800394850 920025193 /nfs/dbraw/zinc/02/51/93/920025193.db2.gz HDOCKOBVSDHMFH-UHFFFAOYSA-N -1 3 376.347 3.569 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3nn[n-]c32)cc1)c1ccccc1 ZINC000800394850 920025227 /nfs/dbraw/zinc/02/52/27/920025227.db2.gz HDOCKOBVSDHMFH-UHFFFAOYSA-N -1 3 376.347 3.569 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3n[n-]nc32)cc1)c1ccccc1 ZINC000800394850 920025244 /nfs/dbraw/zinc/02/52/44/920025244.db2.gz HDOCKOBVSDHMFH-UHFFFAOYSA-N -1 3 376.347 3.569 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2)no1 ZINC000365450997 920803346 /nfs/dbraw/zinc/80/33/46/920803346.db2.gz MMDARTWLGYLNAQ-UHFFFAOYSA-N -1 3 378.363 3.586 20 0 GHADHM COCCN(Cc1ccccn1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000298700957 920825577 /nfs/dbraw/zinc/82/55/77/920825577.db2.gz ZVIQRWPTRRBJSY-UHFFFAOYSA-N -1 3 396.472 3.701 20 0 GHADHM CCOc1cc(CNc2cccc(N3CCCS3(=O)=O)c2)cc(Cl)c1[O-] ZINC000298730450 920860461 /nfs/dbraw/zinc/86/04/61/920860461.db2.gz WWHAKJRTQUONGE-UHFFFAOYSA-N -1 3 396.896 3.596 20 0 GHADHM CCCc1noc(CCCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)n1 ZINC000298933848 921066188 /nfs/dbraw/zinc/06/61/88/921066188.db2.gz BAZJKWKMADICPL-UHFFFAOYSA-N -1 3 395.463 3.709 20 0 GHADHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000901428307 921097255 /nfs/dbraw/zinc/09/72/55/921097255.db2.gz JRVDOOLWHVUMBY-INIZCTEOSA-N -1 3 384.476 3.629 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000902068538 921849366 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CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C[C@H](C)O)c3ccccc3)nc2)n1 ZINC000368120288 922487212 /nfs/dbraw/zinc/48/72/12/922487212.db2.gz AQGQUQRHSYISKC-MAUKXSAKSA-N -1 3 378.476 3.773 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903626888 923135177 /nfs/dbraw/zinc/13/51/77/923135177.db2.gz IXFOOSUGDSGCJO-DGCLKSJQSA-N -1 3 396.178 3.941 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(Br)cnn2C2CC2)c1 ZINC000903673500 923182802 /nfs/dbraw/zinc/18/28/02/923182802.db2.gz VJOSPOYVHZGVBF-UHFFFAOYSA-N -1 3 390.690 3.743 20 0 GHADHM COc1cc(CNCc2ccc(C(=O)[O-])s2)cc(Br)c1OC ZINC000903677911 923191128 /nfs/dbraw/zinc/19/11/28/923191128.db2.gz CFBVBAUEVJXARB-UHFFFAOYSA-N -1 3 386.267 3.516 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])s1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000903693663 923209909 /nfs/dbraw/zinc/20/99/09/923209909.db2.gz YQBKNJUDSYGRAN-LBPRGKRZSA-N -1 3 390.288 3.625 20 0 GHADHM Cc1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)c(C)cc1I ZINC000903901815 923384259 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COC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000677892366 924539840 /nfs/dbraw/zinc/53/98/40/924539840.db2.gz BYKKERODOYTXLA-CQSZACIVSA-N -1 3 399.365 3.546 20 0 GHADHM COc1cc2c(cc1CN1CCC(C(=O)c3ccc([O-])cc3)CC1)O[C@@H](C)C2 ZINC000678129911 924623536 /nfs/dbraw/zinc/62/35/36/924623536.db2.gz HLZBJPGEKUIXLD-HNNXBMFYSA-N -1 3 381.472 3.819 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC12CCC2 ZINC000678410636 924760208 /nfs/dbraw/zinc/76/02/08/924760208.db2.gz TWNNSLUWKQGQQW-GFCCVEGCSA-N -1 3 389.293 3.943 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678675802 924882347 /nfs/dbraw/zinc/88/23/47/924882347.db2.gz USTMFDHQHWYKNA-HUUCEWRRSA-N -1 3 397.313 3.503 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c([O-])c1 ZINC001137367555 925062076 /nfs/dbraw/zinc/06/20/76/925062076.db2.gz NTTHNFWZAOCKAV-JOCHJYFZSA-N -1 3 377.440 3.743 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000409865433 925072001 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GHADHM COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc(OC)c1[O-] ZINC000680816370 925619088 /nfs/dbraw/zinc/61/90/88/925619088.db2.gz VIACGMLEJFTDFS-UHFFFAOYSA-N -1 3 399.443 3.723 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1C1CC1 ZINC000372974497 925794300 /nfs/dbraw/zinc/79/43/00/925794300.db2.gz CLRNLRIFTLMTBW-UHFFFAOYSA-N -1 3 375.428 3.884 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)n[n-]1 ZINC000373116476 925869099 /nfs/dbraw/zinc/86/90/99/925869099.db2.gz WLJQXNWAOOVFAR-UHFFFAOYSA-N -1 3 385.468 3.516 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)[n-]1 ZINC000373116476 925869110 /nfs/dbraw/zinc/86/91/10/925869110.db2.gz WLJQXNWAOOVFAR-UHFFFAOYSA-N -1 3 385.468 3.516 20 0 GHADHM CC[C@H](C)N1C(=O)C[C@@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276165088 926441269 /nfs/dbraw/zinc/44/12/69/926441269.db2.gz NPJKFKIEHJPWFC-HXPMCKFVSA-N -1 3 399.318 3.839 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000725990909 926522970 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O=C(CCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1)OCc1ccccc1 ZINC000752764118 929011067 /nfs/dbraw/zinc/01/10/67/929011067.db2.gz JAEJZDXFLZSUNB-UHFFFAOYSA-N -1 3 392.455 3.562 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cccnc1Cl ZINC000752835747 929046881 /nfs/dbraw/zinc/04/68/81/929046881.db2.gz WCRVVOWVKXIXHO-JTQLQIEISA-N -1 3 393.679 3.844 20 0 GHADHM Cc1ccc([C@@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000753022888 929162496 /nfs/dbraw/zinc/16/24/96/929162496.db2.gz YUUVJUWIBIJPFG-HXUWFJFHSA-N -1 3 386.448 3.720 20 0 GHADHM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(Cl)c3)cc21 ZINC000753154844 929231745 /nfs/dbraw/zinc/23/17/45/929231745.db2.gz LNSSTWYMFGMNHN-UHFFFAOYSA-N -1 3 391.924 3.733 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467714711 929330200 /nfs/dbraw/zinc/33/02/00/929330200.db2.gz JEAHYOAWEIVLBT-NSHDSACASA-N -1 3 387.361 3.764 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1SCCc2sccc21 ZINC000467715145 929330303 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CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000757824079 929815689 /nfs/dbraw/zinc/81/56/89/929815689.db2.gz FZOCCMQCGPBNQD-INIZCTEOSA-N -1 3 384.517 3.553 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000469798250 930168277 /nfs/dbraw/zinc/16/82/77/930168277.db2.gz MDWAEJMJNTXTTL-INIZCTEOSA-N -1 3 376.859 3.903 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c(F)c1 ZINC000469893458 930239917 /nfs/dbraw/zinc/23/99/17/930239917.db2.gz PFANMIRIVKQTPF-UHFFFAOYSA-N -1 3 389.383 3.831 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc(OC)c1[O-] ZINC000546549349 930257240 /nfs/dbraw/zinc/25/72/40/930257240.db2.gz GOCGPLHQNYRFCN-AWEZNQCLSA-N -1 3 377.824 3.707 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000759098296 930273001 /nfs/dbraw/zinc/27/30/01/930273001.db2.gz AAFJIDMYHOGNHC-GDBMZVCRSA-N -1 3 376.497 3.720 20 0 GHADHM CC(C)(C)OC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000546599855 930287074 /nfs/dbraw/zinc/28/70/74/930287074.db2.gz YETCGKCCDHLHRM-UHFFFAOYSA-N -1 3 382.416 3.905 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1C ZINC000546623737 930304829 /nfs/dbraw/zinc/30/48/29/930304829.db2.gz MQFYOKBFGJLUDX-UHFFFAOYSA-N -1 3 379.478 3.990 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](Cc2ccccc2)c2cccnc2)cc1 ZINC000759448010 930372283 /nfs/dbraw/zinc/37/22/83/930372283.db2.gz UUACXFJXBADOBA-HXUWFJFHSA-N -1 3 396.468 3.594 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1)N1CCOCC1 ZINC000780704504 930581103 /nfs/dbraw/zinc/58/11/03/930581103.db2.gz IKVHSSQXOFVQLI-CQSZACIVSA-N -1 3 396.459 3.818 20 0 GHADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc3c(c(Cl)c1)O[C@H](C)C3)OCO2 ZINC000781116022 930704667 /nfs/dbraw/zinc/70/46/67/930704667.db2.gz XHWSZDHAPCLOHT-SNVBAGLBSA-N -1 3 381.837 3.501 20 0 GHADHM O=C(Cc1cc(F)c(F)cc1F)[N-]OCc1ccc(F)cc1Br ZINC000781121340 930707636 /nfs/dbraw/zinc/70/76/36/930707636.db2.gz JFUDHBUKYGGLQE-UHFFFAOYSA-N -1 3 392.146 3.796 20 0 GHADHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470608494 930748074 /nfs/dbraw/zinc/74/80/74/930748074.db2.gz YAGGKYDNIGCBHR-JTQLQIEISA-N -1 3 395.912 3.654 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)[n-]n1 ZINC000781430746 930843524 /nfs/dbraw/zinc/84/35/24/930843524.db2.gz LULIHGNQXJIMKP-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)n[n-]1 ZINC000781430746 930843534 /nfs/dbraw/zinc/84/35/34/930843534.db2.gz LULIHGNQXJIMKP-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM CCOc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000547268120 930864366 /nfs/dbraw/zinc/86/43/66/930864366.db2.gz IRLKYWGVRFMURK-KRWDZBQOSA-N -1 3 388.895 3.791 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc(OC)c1[O-] ZINC000547270212 930866735 /nfs/dbraw/zinc/86/67/35/930866735.db2.gz POXZQCRHOALQLS-HOTGVXAUSA-N -1 3 375.465 3.554 20 0 GHADHM CC(=O)Nc1ccc(C)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000781488676 930866990 /nfs/dbraw/zinc/86/69/90/930866990.db2.gz FCAHXXWWYRJEFC-UHFFFAOYSA-N -1 3 377.400 3.644 20 0 GHADHM CCOc1cc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc(Cl)c1[O-] ZINC000547292580 930887957 /nfs/dbraw/zinc/88/79/57/930887957.db2.gz QWRQXBIKGWWZHP-UHFFFAOYSA-N -1 3 395.912 3.920 20 0 GHADHM COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(Cl)c1[O-] ZINC000547300020 930893323 /nfs/dbraw/zinc/89/33/23/930893323.db2.gz QAAGLMRHOCUEBC-HNNXBMFYSA-N -1 3 378.856 3.604 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CCC(c2ccc(F)cc2)CC1 ZINC000781759744 930965720 /nfs/dbraw/zinc/96/57/20/930965720.db2.gz LXDGVFIUVAPGFU-UHFFFAOYSA-N -1 3 385.892 3.526 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000782322606 931176441 /nfs/dbraw/zinc/17/64/41/931176441.db2.gz XPGICYLSPYSVKR-UHFFFAOYSA-N -1 3 391.258 3.673 20 0 GHADHM CCN(C(C)=O)c1nc(COC(=O)c2cccc3[n-]c(C(F)F)nc32)cs1 ZINC000924083844 931188918 /nfs/dbraw/zinc/18/89/18/931188918.db2.gz NCCOUNRIYXQFNI-UHFFFAOYSA-N -1 3 394.403 3.687 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000782504848 931245917 /nfs/dbraw/zinc/24/59/17/931245917.db2.gz RMRBIFSLWSDBDG-GHMZBOCLSA-N -1 3 394.946 3.516 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H]2CCCC[C@@H]21 ZINC000782810140 931340009 /nfs/dbraw/zinc/34/00/09/931340009.db2.gz LGXXTAUUHCJIKF-FRFSOERESA-N -1 3 396.528 3.553 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000783239411 931471939 /nfs/dbraw/zinc/47/19/39/931471939.db2.gz JPAGLUCDQZENGA-UHFFFAOYSA-N -1 3 382.269 3.957 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000557551005 931537975 /nfs/dbraw/zinc/53/79/75/931537975.db2.gz VZRIYRVTKPFQFS-UHFFFAOYSA-N -1 3 392.390 3.703 20 0 GHADHM O=C(OCc1cncn1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC000783530451 931573586 /nfs/dbraw/zinc/57/35/86/931573586.db2.gz OAIGWPNXCVLVDN-UHFFFAOYSA-N -1 3 387.233 3.757 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC000783662781 931611336 /nfs/dbraw/zinc/61/13/36/931611336.db2.gz KYCLCCCDZBYDQQ-CHWSQXEVSA-N -1 3 398.887 3.510 20 0 GHADHM C[C@H](CO[N-]C(=O)CCc1ccc(-c2ccccc2)[nH]1)NC(=O)OC(C)(C)C ZINC000783663005 931611696 /nfs/dbraw/zinc/61/16/96/931611696.db2.gz FZCCSAPVLDYPNZ-OAHLLOKOSA-N -1 3 387.480 3.575 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCc1ccc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000783666040 931612122 /nfs/dbraw/zinc/61/21/22/931612122.db2.gz YMCBXVUDSVBBSC-HNNXBMFYSA-N -1 3 388.464 3.840 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000783942524 931725589 /nfs/dbraw/zinc/72/55/89/931725589.db2.gz GCCZHTBTRGOJDA-HTAPYJJXSA-N -1 3 376.412 3.780 20 0 GHADHM CC(C)(C)c1ncc(/C=C/C(=O)OCc2noc(-c3ccccc3[O-])n2)s1 ZINC000783944256 931726264 /nfs/dbraw/zinc/72/62/64/931726264.db2.gz OGPFGFARMVEPID-CMDGGOBGSA-N -1 3 385.445 3.953 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnc(Cc2ccccc2)s1 ZINC000784086323 931780477 /nfs/dbraw/zinc/78/04/77/931780477.db2.gz VEWUXLGAZNTXDM-UHFFFAOYSA-N -1 3 393.424 3.847 20 0 GHADHM Cc1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(Cl)c1Cl ZINC000784393423 931879239 /nfs/dbraw/zinc/87/92/39/931879239.db2.gz YYDCLXZVPAGSAO-UHFFFAOYSA-N -1 3 380.187 3.809 20 0 GHADHM C[C@H](CO[N-]C(=O)C1(Cc2ccccc2Cl)CC1)NC(=O)OC(C)(C)C ZINC000784784988 932002814 /nfs/dbraw/zinc/00/28/14/932002814.db2.gz AFKSTPYSDGNCGC-CYBMUJFWSA-N -1 3 382.888 3.624 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC34CCOCC4)cc2)cc(=O)[n-]1 ZINC000558578019 932083503 /nfs/dbraw/zinc/08/35/03/932083503.db2.gz FUHQPYLHGIYFPN-SFHVURJKSA-N -1 3 382.464 3.628 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)CCc3ccccc3Br)cc2o1 ZINC000558636670 932132019 /nfs/dbraw/zinc/13/20/19/932132019.db2.gz SJBZPXJMEDPDLT-UHFFFAOYSA-N -1 3 395.278 3.883 20 0 GHADHM CS[C@@H](C)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000797214902 932223993 /nfs/dbraw/zinc/22/39/93/932223993.db2.gz UYGQIGOURMTRMF-STQMWFEESA-N -1 3 397.493 3.923 20 0 GHADHM O=C(CO[C@@H]1CCCc2ccccc21)OCc1noc(-c2ccccc2[O-])n1 ZINC000797490809 932304089 /nfs/dbraw/zinc/30/40/89/932304089.db2.gz YBQWYEBGYQLULA-GOSISDBHSA-N -1 3 380.400 3.580 20 0 GHADHM CN(C)c1nc(C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000559024035 932380587 /nfs/dbraw/zinc/38/05/87/932380587.db2.gz XXIAPMIGUARQNW-OAHLLOKOSA-N -1 3 394.397 3.634 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1nc(C2CC2)no1 ZINC000559034257 932385522 /nfs/dbraw/zinc/38/55/22/932385522.db2.gz PKHIEGUBAPLUAL-AWEZNQCLSA-N -1 3 385.436 3.701 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1C ZINC000559399530 932653035 /nfs/dbraw/zinc/65/30/35/932653035.db2.gz ZEMOFWCCFMNNFG-GOSISDBHSA-N -1 3 390.505 3.580 20 0 GHADHM COc1ccccc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559987968 933001615 /nfs/dbraw/zinc/00/16/15/933001615.db2.gz SEPBDFVGLUEELK-UHFFFAOYSA-N -1 3 398.220 3.960 20 0 GHADHM CC[C@H]1CC[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000559989076 933002221 /nfs/dbraw/zinc/00/22/21/933002221.db2.gz HUALIRFSIVSPHX-RYUDHWBXSA-N -1 3 390.241 3.914 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C)c(Cl)cc1Cl ZINC000799734634 933103872 /nfs/dbraw/zinc/10/38/72/933103872.db2.gz JTQMZIAFKBRZRA-SNVBAGLBSA-N -1 3 395.352 3.989 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000928786832 933104947 /nfs/dbraw/zinc/10/49/47/933104947.db2.gz GBBPDRGTWQHGRH-UHFFFAOYSA-N -1 3 379.342 3.958 20 0 GHADHM CCOc1ccc(CCC2CCN(C(=O)CCc3c(C)nc[n-]c3=O)CC2)cc1 ZINC001115837292 933217203 /nfs/dbraw/zinc/21/72/03/933217203.db2.gz YZBSGMSFHAAOJB-UHFFFAOYSA-N -1 3 397.519 3.693 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000560697220 933469457 /nfs/dbraw/zinc/46/94/57/933469457.db2.gz JYDDUPIAUPOKPZ-CRAIPNDOSA-N -1 3 383.448 3.640 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCC(C)(C)CO3)cc2)cc(=O)[n-]1 ZINC000929762367 933620015 /nfs/dbraw/zinc/62/00/15/933620015.db2.gz FUKVYOVYVPFHFH-KRWDZBQOSA-N -1 3 384.480 3.874 20 0 GHADHM COc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)cnn1-c1ccccc1 ZINC001116626021 933669839 /nfs/dbraw/zinc/66/98/39/933669839.db2.gz WLMREMLBZPNRPP-UHFFFAOYSA-N -1 3 377.429 3.652 20 0 GHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nnc(CC2CCCC2)o1 ZINC001117228430 933897808 /nfs/dbraw/zinc/89/78/08/933897808.db2.gz XBTDNNKMMTVALX-MRXNPFEDSA-N -1 3 395.550 3.575 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001117802996 934032937 /nfs/dbraw/zinc/03/29/37/934032937.db2.gz CIBAIGNJESPXRT-SSDOTTSWSA-N -1 3 378.750 3.610 20 0 GHADHM CC1(C)CC[C@H]2C[C@H](NC(=O)CNC(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000561627072 934321089 /nfs/dbraw/zinc/32/10/89/934321089.db2.gz OFXDPDGNXOXCMI-KXBFYZLASA-N -1 3 378.472 3.538 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Cl)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001120263852 934453193 /nfs/dbraw/zinc/45/31/93/934453193.db2.gz BYYRJLOAEZCCIN-HZMBPMFUSA-N -1 3 385.773 3.764 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001121176704 934581470 /nfs/dbraw/zinc/58/14/70/934581470.db2.gz VMFFERWYIBZWSD-UHFFFAOYSA-N -1 3 394.337 3.826 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn4c3C[C@@H](C)CC4)nc(=O)c2c1C ZINC000829573871 935829403 /nfs/dbraw/zinc/82/94/03/935829403.db2.gz GUXUXLOVOKGMNN-GXSJLCMTSA-N -1 3 386.477 3.711 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC001137939896 935881844 /nfs/dbraw/zinc/88/18/44/935881844.db2.gz WCEFEYFSXJLWLT-UHFFFAOYSA-N -1 3 399.443 3.692 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])cc1C ZINC000908884807 939345296 /nfs/dbraw/zinc/34/52/96/939345296.db2.gz PSCGVAHVNYKTHF-QMMLZNLJSA-N -1 3 395.503 3.564 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001573553556 946886921 /nfs/dbraw/zinc/88/69/21/946886921.db2.gz YRVRMKCHHHRFJK-LLVKDONJSA-N -1 3 383.839 3.540 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001573553556 946886931 /nfs/dbraw/zinc/88/69/31/946886931.db2.gz YRVRMKCHHHRFJK-LLVKDONJSA-N -1 3 383.839 3.540 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC001573728344 948561358 /nfs/dbraw/zinc/56/13/58/948561358.db2.gz DJUPKSLRFDAYCS-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC001573728344 948561363 /nfs/dbraw/zinc/56/13/63/948561363.db2.gz DJUPKSLRFDAYCS-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM CC(C)c1ccc(OCC(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001574417144 948765839 /nfs/dbraw/zinc/76/58/39/948765839.db2.gz MFLZEBPDYJFMHW-HXUWFJFHSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)c1ccc(OCC(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001574417144 948765847 /nfs/dbraw/zinc/76/58/47/948765847.db2.gz MFLZEBPDYJFMHW-HXUWFJFHSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574083018 948872922 /nfs/dbraw/zinc/87/29/22/948872922.db2.gz NWGPMTUJBXULFN-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574083018 948872940 /nfs/dbraw/zinc/87/29/40/948872940.db2.gz NWGPMTUJBXULFN-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC001574083047 948874814 /nfs/dbraw/zinc/87/48/14/948874814.db2.gz ORNGQOKQIXMRQU-FTRWYGJKSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC001574083047 948874834 /nfs/dbraw/zinc/87/48/34/948874834.db2.gz ORNGQOKQIXMRQU-FTRWYGJKSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001574083212 948879394 /nfs/dbraw/zinc/87/93/94/948879394.db2.gz QHWJFHIIUMQFGX-KRWDZBQOSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001574083212 948879412 /nfs/dbraw/zinc/87/94/12/948879412.db2.gz QHWJFHIIUMQFGX-KRWDZBQOSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)C1(CNC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC001574091623 949021111 /nfs/dbraw/zinc/02/11/11/949021111.db2.gz PISLXIVUBGVNCL-UHFFFAOYSA-N -1 3 391.475 3.612 20 0 GHADHM CC(C)C1(CNC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC001574091623 949021131 /nfs/dbraw/zinc/02/11/31/949021131.db2.gz PISLXIVUBGVNCL-UHFFFAOYSA-N -1 3 391.475 3.612 20 0 GHADHM CC(C)(C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573787012 949159980 /nfs/dbraw/zinc/15/99/80/949159980.db2.gz JOIBVMYKPKZIMU-ROUUACIJSA-N -1 3 393.466 3.592 20 0 GHADHM CC(C)(C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573787012 949159998 /nfs/dbraw/zinc/15/99/98/949159998.db2.gz JOIBVMYKPKZIMU-ROUUACIJSA-N -1 3 393.466 3.592 20 0 GHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001575515111 949180291 /nfs/dbraw/zinc/18/02/91/949180291.db2.gz GFAOFHQMHAQUQO-ACJLOTCBSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001575515111 949180300 /nfs/dbraw/zinc/18/03/00/949180300.db2.gz GFAOFHQMHAQUQO-ACJLOTCBSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@H]1C ZINC001576151355 949223603 /nfs/dbraw/zinc/22/36/03/949223603.db2.gz GWUPEPVWIIKYAO-VCBZYWHSSA-N -1 3 382.512 3.580 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@H]1C ZINC001576151355 949223624 /nfs/dbraw/zinc/22/36/24/949223624.db2.gz GWUPEPVWIIKYAO-VCBZYWHSSA-N -1 3 382.512 3.580 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001574143050 949887896 /nfs/dbraw/zinc/88/78/96/949887896.db2.gz FLZJHKHPMBVSKB-STQMWFEESA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001574143050 949887915 /nfs/dbraw/zinc/88/79/15/949887915.db2.gz FLZJHKHPMBVSKB-STQMWFEESA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573825916 949892396 /nfs/dbraw/zinc/89/23/96/949892396.db2.gz CJTJZEASBNGQOU-QWHCGFSZSA-N -1 3 376.530 3.722 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001573828779 949938862 /nfs/dbraw/zinc/93/88/62/949938862.db2.gz ULMVIQNBMGLGJG-OAHLLOKOSA-N -1 3 379.468 3.712 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001573828779 949938891 /nfs/dbraw/zinc/93/88/91/949938891.db2.gz ULMVIQNBMGLGJG-OAHLLOKOSA-N -1 3 379.468 3.712 20 0 GHADHM C[C@@H]1CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC2CCCC2)C1 ZINC001576182251 950046323 /nfs/dbraw/zinc/04/63/23/950046323.db2.gz YUFPUXVSMVXLDP-OAHLLOKOSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@@H]1CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC2CCCC2)C1 ZINC001576182251 950046347 /nfs/dbraw/zinc/04/63/47/950046347.db2.gz YUFPUXVSMVXLDP-OAHLLOKOSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@@H](CN(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC001574733167 950100878 /nfs/dbraw/zinc/10/08/78/950100878.db2.gz UPXQALCKZHEJPA-ZDUSSCGKSA-N -1 3 390.919 3.878 20 0 GHADHM C[C@@H](CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC001574733167 950100887 /nfs/dbraw/zinc/10/08/87/950100887.db2.gz UPXQALCKZHEJPA-ZDUSSCGKSA-N -1 3 390.919 3.878 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)c3cccc(Cl)n3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576214467 950670848 /nfs/dbraw/zinc/67/08/48/950670848.db2.gz APSAESPLMZIUCH-DTWKUNHWSA-N -1 3 388.884 3.915 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)c3cccc(Cl)n3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576214467 950670859 /nfs/dbraw/zinc/67/08/59/950670859.db2.gz APSAESPLMZIUCH-DTWKUNHWSA-N -1 3 388.884 3.915 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573881403 950749062 /nfs/dbraw/zinc/74/90/62/950749062.db2.gz DSWHSDHLCJSARK-QARGNGGGSA-N -1 3 387.487 3.981 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573881403 950749078 /nfs/dbraw/zinc/74/90/78/950749078.db2.gz DSWHSDHLCJSARK-QARGNGGGSA-N -1 3 387.487 3.981 20 0 GHADHM CC1(C)C[C@H](C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c2ccccc2O1 ZINC001575631557 950780612 /nfs/dbraw/zinc/78/06/12/950780612.db2.gz PNEAAMNDSZIENN-AWEZNQCLSA-N -1 3 383.839 3.804 20 0 GHADHM CC1(C)C[C@H](C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC001575631557 950780629 /nfs/dbraw/zinc/78/06/29/950780629.db2.gz PNEAAMNDSZIENN-AWEZNQCLSA-N -1 3 383.839 3.804 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1ccccc1 ZINC001576218425 950791181 /nfs/dbraw/zinc/79/11/81/950791181.db2.gz RKNVMBDBNJXBRH-KGLIPLIRSA-N -1 3 376.464 3.519 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1ccccc1 ZINC001576218425 950791190 /nfs/dbraw/zinc/79/11/90/950791190.db2.gz RKNVMBDBNJXBRH-KGLIPLIRSA-N -1 3 376.464 3.519 20 0 GHADHM CC1(C)C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC001575641417 950919378 /nfs/dbraw/zinc/91/93/78/950919378.db2.gz PSDSKHYFTVHKLK-AWEZNQCLSA-N -1 3 393.516 3.938 20 0 GHADHM CC1(C)C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC001575641417 950919392 /nfs/dbraw/zinc/91/93/92/950919392.db2.gz PSDSKHYFTVHKLK-AWEZNQCLSA-N -1 3 393.516 3.938 20 0 GHADHM CC(C)(CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001573899521 950980640 /nfs/dbraw/zinc/98/06/40/950980640.db2.gz BPUPHESXVPQIBT-UHFFFAOYSA-N -1 3 393.495 3.988 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC1CCC1)c1ccccc1 ZINC001575185267 952431959 /nfs/dbraw/zinc/43/19/59/952431959.db2.gz OEFVZGDXBVDJQA-INIZCTEOSA-N -1 3 375.476 3.879 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CCC1)c1ccccc1 ZINC001575185267 952431962 /nfs/dbraw/zinc/43/19/62/952431962.db2.gz OEFVZGDXBVDJQA-INIZCTEOSA-N -1 3 375.476 3.879 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC001575188194 952447538 /nfs/dbraw/zinc/44/75/38/952447538.db2.gz HSJIFHFSFCRLCF-AWEZNQCLSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC001575188194 952447542 /nfs/dbraw/zinc/44/75/42/952447542.db2.gz HSJIFHFSFCRLCF-AWEZNQCLSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001575190485 952462711 /nfs/dbraw/zinc/46/27/11/952462711.db2.gz SOUYFADUEGIVDS-KGLIPLIRSA-N -1 3 375.432 3.669 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001575190485 952462722 /nfs/dbraw/zinc/46/27/22/952462722.db2.gz SOUYFADUEGIVDS-KGLIPLIRSA-N -1 3 375.432 3.669 20 0 GHADHM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001575206704 952530525 /nfs/dbraw/zinc/53/05/25/952530525.db2.gz LIXFCDBAAODJAY-AWEZNQCLSA-N -1 3 386.459 3.974 20 0 GHADHM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001575206704 952530531 /nfs/dbraw/zinc/53/05/31/952530531.db2.gz LIXFCDBAAODJAY-AWEZNQCLSA-N -1 3 386.459 3.974 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000566219651 953620188 /nfs/dbraw/zinc/62/01/88/953620188.db2.gz GSTQBTPRHVUJBS-HACGYAERSA-N -1 3 399.318 3.700 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000391397734 972333659 /nfs/dbraw/zinc/33/36/59/972333659.db2.gz NRJRVPQSSNWRQB-UTUOFQBUSA-N -1 3 383.286 3.656 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573362844 958602167 /nfs/dbraw/zinc/60/21/67/958602167.db2.gz GAMVPDFNJXMWCT-KANFNMMFSA-N -1 3 398.528 3.600 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001573747177 960500991 /nfs/dbraw/zinc/50/09/91/960500991.db2.gz CSYYNLHPJAWDJQ-SFHVURJKSA-N -1 3 395.503 3.690 20 0 GHADHM CC(C)(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC001588783160 961310886 /nfs/dbraw/zinc/31/08/86/961310886.db2.gz AKTFMJMXMLNLAZ-UHFFFAOYSA-N -1 3 395.503 3.662 20 0 GHADHM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC001345728662 962276244 /nfs/dbraw/zinc/27/62/44/962276244.db2.gz BLPAWFYBDBDRKH-SBUREZEXSA-N -1 3 398.478 3.555 20 0 GHADHM C[C@H](N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314840789 963819196 /nfs/dbraw/zinc/81/91/96/963819196.db2.gz VGWKTMUEDJUKHY-AVGNSLFASA-N -1 3 383.514 3.575 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCOc2ccccc2C(=O)[O-])C1 ZINC001573447028 964080055 /nfs/dbraw/zinc/08/00/55/964080055.db2.gz GPZPGBMMIIXDJN-INIZCTEOSA-N -1 3 392.496 3.533 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCCC1)C(=O)[O-] ZINC001591870045 976198299 /nfs/dbraw/zinc/19/82/99/976198299.db2.gz GNIPLCXJTFRHML-OALUTQOASA-N -1 3 380.916 3.776 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)cc1F ZINC001625916932 1014374549 /nfs/dbraw/zinc/37/45/49/1014374549.db2.gz GPYUFLWCIZZCLV-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM C[C@@](CC(=O)[O-])(NCc1ccnc(Cl)c1)c1ccc(Br)cc1 ZINC001592327951 977743778 /nfs/dbraw/zinc/74/37/78/977743778.db2.gz HBXYCQCBAXDWMV-INIZCTEOSA-N -1 3 383.673 3.977 20 0 GHADHM Cc1cc(C)cc([C@@H](NCc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])c1 ZINC000756390691 978700231 /nfs/dbraw/zinc/70/02/31/978700231.db2.gz XCTYMSPSEOBKPZ-GOSISDBHSA-N -1 3 385.464 3.961 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001595057085 979295650 /nfs/dbraw/zinc/29/56/50/979295650.db2.gz QBLPBWSRKSXPPH-UHFFFAOYSA-N -1 3 397.541 3.559 20 0 GHADHM C[C@@](Cc1ccc(F)cc1)(NCc1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC001592853730 979646861 /nfs/dbraw/zinc/64/68/61/979646861.db2.gz IKLAIDYUVXUDDY-QHCPKHFHSA-N -1 3 393.462 3.676 20 0 GHADHM COc1ccc(CC[C@@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001625961441 1014592560 /nfs/dbraw/zinc/59/25/60/1014592560.db2.gz OWMYXQALBYWMAA-CYBMUJFWSA-N -1 3 384.863 3.941 20 0 GHADHM CC[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595278212 980309949 /nfs/dbraw/zinc/30/99/49/980309949.db2.gz BJPCPJFUPATFIR-UGSOOPFHSA-N -1 3 388.439 3.991 20 0 GHADHM CC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1OCC(=O)N(C)C ZINC001595279301 980317896 /nfs/dbraw/zinc/31/78/96/980317896.db2.gz OMOUVOAZLOCNOA-XJKSGUPXSA-N -1 3 390.505 3.715 20 0 GHADHM CC[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(Cl)c1 ZINC001595284279 980355189 /nfs/dbraw/zinc/35/51/89/980355189.db2.gz RPXFIIBCDPXLQO-CABCVRRESA-N -1 3 378.881 3.946 20 0 GHADHM CCCC(=O)NC1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC001595528004 981360602 /nfs/dbraw/zinc/36/06/02/981360602.db2.gz WODCPOJCLAUSKE-UHFFFAOYSA-N -1 3 378.469 3.619 20 0 GHADHM CCCC1(CCC)CCCN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001595617114 981649513 /nfs/dbraw/zinc/64/95/13/981649513.db2.gz DSTBHVJOJJMVJF-UHFFFAOYSA-N -1 3 377.510 3.926 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836445 982741657 /nfs/dbraw/zinc/74/16/57/982741657.db2.gz BEHJTUGONXPKOK-JFIYKMOQSA-N -1 3 380.916 3.730 20 0 GHADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001594526064 986044188 /nfs/dbraw/zinc/04/41/88/986044188.db2.gz RFZMUXJPCAHJIQ-OAHLLOKOSA-N -1 3 390.430 3.738 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc(Cl)c1OC ZINC001597035364 986471240 /nfs/dbraw/zinc/47/12/40/986471240.db2.gz IGXXYAOOQXQYKU-KRWDZBQOSA-N -1 3 379.840 3.671 20 0 GHADHM C[C@@H](c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)c1c(F)cccc1F ZINC000544965183 1015295823 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MEVXVTJBNCXYOR-IGCXYCKISA-N -1 3 380.460 3.648 20 0 GHADHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469010500 1016334515 /nfs/dbraw/zinc/33/45/15/1016334515.db2.gz ROWMPKFUIYCELJ-MRXNPFEDSA-N -1 3 387.451 3.692 20 0 GHADHM Cc1ccccc1C(=O)NC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469061071 1016393837 /nfs/dbraw/zinc/39/38/37/1016393837.db2.gz QUQASINNIFGYPL-UHFFFAOYSA-N -1 3 398.478 3.583 20 0 GHADHM CC(Oc1cnc2ccccc2c1)=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000470845789 1016909338 /nfs/dbraw/zinc/90/93/38/1016909338.db2.gz WBPMVLVXQYABAX-ZDUSSCGKSA-N -1 3 376.441 3.581 20 0 GHADHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001154958522 1032358513 /nfs/dbraw/zinc/35/85/13/1032358513.db2.gz GGBWWBOWWIFNOD-CYBMUJFWSA-N -1 3 380.510 3.586 20 0 GHADHM O=C(Nc1cc(Br)cc2n[nH]cc21)c1nc2nc(Cl)ccc2[n-]1 ZINC001155186589 1032450005 /nfs/dbraw/zinc/45/00/05/1032450005.db2.gz NUZNCXYYGBOEOM-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM O=C(Nc1cc(Br)cc2n[nH]cc21)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155186589 1032450010 /nfs/dbraw/zinc/45/00/10/1032450010.db2.gz NUZNCXYYGBOEOM-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM O=C(Nc1cc(Br)cc2n[nH]cc21)c1nc2ccc(Cl)nc2[n-]1 ZINC001155186589 1032450018 /nfs/dbraw/zinc/45/00/18/1032450018.db2.gz NUZNCXYYGBOEOM-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3cc(=O)cc(C(F)(F)F)[n-]3)C[C@@H]21 ZINC001227586540 1032473971 /nfs/dbraw/zinc/47/39/71/1032473971.db2.gz MVGJFBDYHPSULH-RTXFEEFZSA-N -1 3 388.386 3.973 20 0 GHADHM [O-]c1cc(Br)cnc1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC001204155065 1032608467 /nfs/dbraw/zinc/60/84/67/1032608467.db2.gz UKHXWBKMHILFSP-GOSISDBHSA-N -1 3 391.309 3.812 20 0 GHADHM COC(=O)c1ccc([O-])c(OC(c2ccc(OC)cc2)c2ccc(OC)cc2)n1 ZINC001227819488 1032628705 /nfs/dbraw/zinc/62/87/05/1032628705.db2.gz BJKUMRVAPRLXLA-UHFFFAOYSA-N -1 3 395.411 3.759 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCSC[C@@H]3C3CC3)cc2)cc(=O)[n-]1 ZINC000929762084 1017735863 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GHADHM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1c[n-]c3cc(F)c(F)cc3c1=O)C2 ZINC000936050765 1019079013 /nfs/dbraw/zinc/07/90/13/1019079013.db2.gz BOSBIAXQBHTOMX-UHFFFAOYSA-N -1 3 396.393 3.503 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000568318486 1019393146 /nfs/dbraw/zinc/39/31/46/1019393146.db2.gz OLIRJPKTNQZYPN-SPYBWZPUSA-N -1 3 398.890 3.713 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC001156015397 1032842434 /nfs/dbraw/zinc/84/24/34/1032842434.db2.gz GNRWSLMYQUOXPT-CGTJXYLNSA-N -1 3 388.261 3.591 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C3CCCC3)C2)cc1OC ZINC000572831366 1019807335 /nfs/dbraw/zinc/80/73/35/1019807335.db2.gz VXEWCHXYJAAWQX-HNNXBMFYSA-N -1 3 395.525 3.501 20 0 GHADHM Cc1ncsc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000579172835 1020390769 /nfs/dbraw/zinc/39/07/69/1020390769.db2.gz UHIBIUMEZKLQPV-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(C)C)cc1Cl ZINC000579569099 1020421973 /nfs/dbraw/zinc/42/19/73/1020421973.db2.gz JJNUTMDZHYJKQN-NSHDSACASA-N -1 3 376.881 3.542 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001156285732 1032958639 /nfs/dbraw/zinc/95/86/39/1032958639.db2.gz RFSJMQNRBUGWMC-ZDUSSCGKSA-N -1 3 384.858 3.934 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3ccc(Cl)nc3)c(=O)c2c1-c1ccccc1 ZINC000015540128 1021287341 /nfs/dbraw/zinc/28/73/41/1021287341.db2.gz IDEVJPBWHYZCEU-UHFFFAOYSA-N -1 3 396.859 3.866 20 0 GHADHM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)O1 ZINC000901613530 1021431015 /nfs/dbraw/zinc/43/10/15/1021431015.db2.gz LXTMJBFJCZOIIQ-QGZVFWFLSA-N -1 3 392.477 3.621 20 0 GHADHM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000901957502 1021467591 /nfs/dbraw/zinc/46/75/91/1021467591.db2.gz QYYHCEVBERCAHA-YMRTUKTKSA-N -1 3 382.460 3.675 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000903895782 1021648933 /nfs/dbraw/zinc/64/89/33/1021648933.db2.gz LCGUKZKMVYBEBO-AEFFLSMTSA-N -1 3 389.492 3.570 20 0 GHADHM Cc1cccc(C[C@H](CNCc2ncc(Br)cc2Cl)C(=O)[O-])c1 ZINC000903994642 1021668768 /nfs/dbraw/zinc/66/87/68/1021668768.db2.gz WECLBAFGIPDLKR-CYBMUJFWSA-N -1 3 397.700 3.839 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)ccc2[nH]1 ZINC000677555460 1021846429 /nfs/dbraw/zinc/84/64/29/1021846429.db2.gz OMTAXQFWKGAIRU-VIFPVBQESA-N -1 3 377.853 3.649 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1[C@@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001228623893 1033014058 /nfs/dbraw/zinc/01/40/58/1033014058.db2.gz VDVDFVYCLYQSMY-SUYBPPKGSA-N -1 3 387.432 3.584 20 0 GHADHM COC(=O)CCN(Cc1ccccc1)Cc1cccc([O-])c1Br ZINC001140548281 1021950148 /nfs/dbraw/zinc/95/01/48/1021950148.db2.gz JJQNXLWZTLHJRZ-UHFFFAOYSA-N -1 3 378.266 3.720 20 0 GHADHM O=C(NCCOc1cncc(Cl)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001140552985 1021955845 /nfs/dbraw/zinc/95/58/45/1021955845.db2.gz OVESGJFZZWXLKG-UHFFFAOYSA-N -1 3 382.847 3.840 20 0 GHADHM C[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000681351604 1022279750 /nfs/dbraw/zinc/27/97/50/1022279750.db2.gz ZTPJNWMEZBJQCX-OAHLLOKOSA-N -1 3 390.480 3.889 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1OCc1c(C)cc(OC(C)C)cc1C ZINC001228716281 1033059854 /nfs/dbraw/zinc/05/98/54/1033059854.db2.gz ODKJZZBCTGYAAO-UHFFFAOYSA-N -1 3 390.505 3.854 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000754268872 1022571041 /nfs/dbraw/zinc/57/10/41/1022571041.db2.gz IZANZIINXREMHP-CLFYSBASSA-N -1 3 385.308 3.979 20 0 GHADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cnc1Cl ZINC000754338592 1022629190 /nfs/dbraw/zinc/62/91/90/1022629190.db2.gz WMGKVILPOASDHN-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM O=C1N(c2cccnc2)CC12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)CC2 ZINC001140830976 1022648902 /nfs/dbraw/zinc/64/89/02/1022648902.db2.gz FPWJCLFVEVMZTM-UHFFFAOYSA-N -1 3 392.286 3.723 20 0 GHADHM [O-]c1c(Cl)cc(CN2CCc3ncc(CN4CCCC4)n3CC2)cc1Cl ZINC001140830804 1022650174 /nfs/dbraw/zinc/65/01/74/1022650174.db2.gz FLYDFGVZVSZLFA-UHFFFAOYSA-N -1 3 395.334 3.550 20 0 GHADHM [O-]c1c(Cl)cc(CN2CC3(C2)CCN(Cc2cccnc2)C3)cc1Cl ZINC001140831463 1022650732 /nfs/dbraw/zinc/65/07/32/1022650732.db2.gz PWZYWPVBBXXZII-UHFFFAOYSA-N -1 3 378.303 3.802 20 0 GHADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000754440438 1022709926 /nfs/dbraw/zinc/70/99/26/1022709926.db2.gz LSGHMDUQHOBHSV-JTQLQIEISA-N -1 3 387.274 3.596 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc2oc3ccccc3c2cc1OC ZINC000836199651 1022723717 /nfs/dbraw/zinc/72/37/17/1022723717.db2.gz RXTFMWMJYJIPHB-UHFFFAOYSA-N -1 3 386.404 3.989 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000836199651 1022723733 /nfs/dbraw/zinc/72/37/33/1022723733.db2.gz RXTFMWMJYJIPHB-UHFFFAOYSA-N -1 3 386.404 3.989 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OCc2ccccc2F)cc1 ZINC000836352600 1022909809 /nfs/dbraw/zinc/90/98/09/1022909809.db2.gz YGORFKVLMMNBCU-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000836352600 1022909812 /nfs/dbraw/zinc/90/98/12/1022909812.db2.gz YGORFKVLMMNBCU-UHFFFAOYSA-N -1 3 390.411 3.800 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2Cc2ccc(C(=O)[O-])o2)C1 ZINC001140944202 1022949270 /nfs/dbraw/zinc/94/92/70/1022949270.db2.gz VDPSOXRZQRIQPP-FQEVSTJZSA-N -1 3 378.469 3.733 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ncccc1O[C@@H](C)c1ccccc1 ZINC000836531460 1023085519 /nfs/dbraw/zinc/08/55/19/1023085519.db2.gz YARHFKSCFBUDSK-AWEZNQCLSA-N -1 3 387.436 3.616 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ncccc1O[C@@H](C)c1ccccc1 ZINC000836531460 1023085533 /nfs/dbraw/zinc/08/55/33/1023085533.db2.gz YARHFKSCFBUDSK-AWEZNQCLSA-N -1 3 387.436 3.616 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990502 1023102995 /nfs/dbraw/zinc/10/29/95/1023102995.db2.gz CNLJQLQOVGLPAU-RBUKOAKNSA-N -1 3 375.415 3.982 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)[C@H](O)c1c(F)cccc1F ZINC000756007152 1023475714 /nfs/dbraw/zinc/47/57/14/1023475714.db2.gz HCHDUUBFLAJCAD-RDJZCZTQSA-N -1 3 385.357 3.694 20 0 GHADHM Cc1cc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc(NC(=O)OC(C)(C)C)c1 ZINC000836943512 1023487197 /nfs/dbraw/zinc/48/71/97/1023487197.db2.gz YAHLHZABALZTEZ-UHFFFAOYSA-N -1 3 399.426 3.682 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228855382 1033137512 /nfs/dbraw/zinc/13/75/12/1033137512.db2.gz GTWIJMBKEMZTTL-MRXNPFEDSA-N -1 3 383.391 3.545 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc3c(cc2[O-])CCC3=O)[C@H](F)C1 ZINC001228858433 1033140732 /nfs/dbraw/zinc/14/07/32/1033140732.db2.gz QVWVUSUUADRYKG-PBHICJAKSA-N -1 3 379.428 3.638 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccc(F)c1)c1cccnc1Cl ZINC000756214153 1023556879 /nfs/dbraw/zinc/55/68/79/1023556879.db2.gz HLOLVRJFGQEYKP-QGZVFWFLSA-N -1 3 376.840 3.942 20 0 GHADHM O=C([O-])COc1ccc(CCNCc2c(Cl)cccc2OC(F)F)cc1 ZINC000756299102 1023583100 /nfs/dbraw/zinc/58/31/00/1023583100.db2.gz QRRVBZAZJHSYRM-UHFFFAOYSA-N -1 3 385.794 3.737 20 0 GHADHM O=C([N-][C@@H]1CCOc2ccc(Br)cc21)C(F)(F)c1nccs1 ZINC000756474309 1023674253 /nfs/dbraw/zinc/67/42/53/1023674253.db2.gz WEXOASBLZFKQSE-SNVBAGLBSA-N -1 3 389.221 3.637 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000756813367 1023824652 /nfs/dbraw/zinc/82/46/52/1023824652.db2.gz QSPKBZMWKCVSNG-NXEZZACHSA-N -1 3 387.274 3.643 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC)[C@H](O)c1c(F)cccc1F ZINC000830598128 1024007021 /nfs/dbraw/zinc/00/70/21/1024007021.db2.gz DWQSBIMJPKKCEU-YOEHRIQHSA-N -1 3 385.357 3.694 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cs1 ZINC000831031820 1024319501 /nfs/dbraw/zinc/31/95/01/1024319501.db2.gz UUUFJGMHCGTHKI-UHFFFAOYSA-N -1 3 392.481 3.806 20 0 GHADHM O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837351363 1024370420 /nfs/dbraw/zinc/37/04/20/1024370420.db2.gz REOVLMHQWGACHP-UHFFFAOYSA-N -1 3 385.420 3.608 20 0 GHADHM CC(C)(C)c1noc(CCCC(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000837430969 1024453337 /nfs/dbraw/zinc/45/33/37/1024453337.db2.gz XRQGNMXTFFKBPE-UHFFFAOYSA-N -1 3 396.447 3.596 20 0 GHADHM O=C(Nc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccs1 ZINC001141301894 1024464286 /nfs/dbraw/zinc/46/42/86/1024464286.db2.gz FYXAMTALMYATHH-UHFFFAOYSA-N -1 3 378.413 3.835 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C)Sc3ccccc32)c([O-])c1 ZINC001141334530 1024602381 /nfs/dbraw/zinc/60/23/81/1024602381.db2.gz PRERPEVXWWTESI-OAHLLOKOSA-N -1 3 384.501 3.738 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000831599600 1024673790 /nfs/dbraw/zinc/67/37/90/1024673790.db2.gz DIFXQORTYHWMQA-GFCCVEGCSA-N -1 3 390.249 3.761 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCNC(=O)OC(C)(C)C)sc1Cl ZINC000831713427 1024773458 /nfs/dbraw/zinc/77/34/58/1024773458.db2.gz RUGFLBKTHQZILQ-NSHDSACASA-N -1 3 396.962 3.682 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cn3cc4ccccc4n3)nc(=O)c2c1C ZINC000837968751 1024852417 /nfs/dbraw/zinc/85/24/17/1024852417.db2.gz ZNOQZFGWIQCNHV-NSHDSACASA-N -1 3 382.445 3.668 20 0 GHADHM CC(C)(C)[C@H](NC(=O)COC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC000838143508 1024943680 /nfs/dbraw/zinc/94/36/80/1024943680.db2.gz WWNKMDXQERHUII-GOSISDBHSA-N -1 3 379.453 3.582 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)COC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC000838143509 1024944011 /nfs/dbraw/zinc/94/40/11/1024944011.db2.gz WWNKMDXQERHUII-SFHVURJKSA-N -1 3 379.453 3.582 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3Cc4cccc(C)c4O3)nc(=O)c2c1C ZINC000838242402 1025016800 /nfs/dbraw/zinc/01/68/00/1025016800.db2.gz ILZUSJGCLSLRKZ-SMDDNHRTSA-N -1 3 384.457 3.930 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)[C@H]1Oc1ccccc1 ZINC001138692792 1025219497 /nfs/dbraw/zinc/21/94/97/1025219497.db2.gz MZLCXFGCUCSBGI-RCCFBDPRSA-N -1 3 397.368 3.798 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000832136806 1025248749 /nfs/dbraw/zinc/24/87/49/1025248749.db2.gz VSKKCJYKXFSCLN-SHTZXODSSA-N -1 3 394.487 3.521 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H](c1ncc[nH]1)c1ccccc1 ZINC001141516419 1025361427 /nfs/dbraw/zinc/36/14/27/1025361427.db2.gz JSXKDOFRIFVSEV-SFHVURJKSA-N -1 3 392.846 3.766 20 0 GHADHM COc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c(C)c(OC)c1 ZINC001138819577 1025420401 /nfs/dbraw/zinc/42/04/01/1025420401.db2.gz OIAIJTIXSYLUOP-UHFFFAOYSA-N -1 3 394.427 3.950 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1cnc(Cl)c(Cl)c1 ZINC000832499866 1025616277 /nfs/dbraw/zinc/61/62/77/1025616277.db2.gz CNYSFYMUFGPTPQ-BXKDBHETSA-N -1 3 393.317 3.649 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC001141584799 1025721724 /nfs/dbraw/zinc/72/17/24/1025721724.db2.gz YHTSGQFZNSVJLH-CQSZACIVSA-N -1 3 398.459 3.805 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000839338627 1025820347 /nfs/dbraw/zinc/82/03/47/1025820347.db2.gz AMKGLRVFFVUNRJ-UHFFFAOYSA-N -1 3 375.759 3.920 20 0 GHADHM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c(Cl)c1C ZINC001163062311 1026030719 /nfs/dbraw/zinc/03/07/19/1026030719.db2.gz LTHNTUAAURLYEO-UHFFFAOYSA-N -1 3 382.851 3.592 20 0 GHADHM Cc1ccccc1-c1nsc(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001163605592 1026248717 /nfs/dbraw/zinc/24/87/17/1026248717.db2.gz MZDNEDCFKDNDRH-CHWSQXEVSA-N -1 3 383.477 3.689 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1[O-] ZINC000839773562 1026257499 /nfs/dbraw/zinc/25/74/99/1026257499.db2.gz GOROLLZOCZXSFR-AWEZNQCLSA-N -1 3 380.444 3.603 20 0 GHADHM CCN(CC)c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC001141729346 1026366542 /nfs/dbraw/zinc/36/65/42/1026366542.db2.gz XPVXXNQGIZBBBJ-UHFFFAOYSA-N -1 3 391.497 3.984 20 0 GHADHM CCc1ccc(C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c([O-])c1 ZINC001164129818 1026428618 /nfs/dbraw/zinc/42/86/18/1026428618.db2.gz QVCCPLYXFHLIGT-UHFFFAOYSA-N -1 3 398.425 3.504 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC001140013425 1026796191 /nfs/dbraw/zinc/79/61/91/1026796191.db2.gz FQWVVMNTBMGNHU-SNVBAGLBSA-N -1 3 377.322 3.725 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C3CCC3)CC2)ccc1F ZINC001165709708 1026802941 /nfs/dbraw/zinc/80/29/41/1026802941.db2.gz YCSMBTVZHSHGLI-UHFFFAOYSA-N -1 3 396.528 3.555 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CSc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC001166524204 1027019980 /nfs/dbraw/zinc/01/99/80/1027019980.db2.gz ICYWEPDOWSHZSX-UHFFFAOYSA-N -1 3 397.435 3.571 20 0 GHADHM O=C(NC[C@H]1CCCN1CC(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC001166854009 1027110482 /nfs/dbraw/zinc/11/04/82/1027110482.db2.gz HJBIGUYRWCRQNB-CQSZACIVSA-N -1 3 376.403 3.644 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1cccc(OC(F)(F)F)c1F ZINC001209813905 1027209700 /nfs/dbraw/zinc/20/97/00/1027209700.db2.gz ZCTOLKAOLBQYKS-STQMWFEESA-N -1 3 389.370 3.634 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141843857 1027416638 /nfs/dbraw/zinc/41/66/38/1027416638.db2.gz ZBONUIFCGSQTBY-LLVKDONJSA-N -1 3 390.274 3.915 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141843857 1027416656 /nfs/dbraw/zinc/41/66/56/1027416656.db2.gz ZBONUIFCGSQTBY-LLVKDONJSA-N -1 3 390.274 3.915 20 0 GHADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001210624502 1027579698 /nfs/dbraw/zinc/57/96/98/1027579698.db2.gz VXCAYNXKSFKZDZ-OLZOCXBDSA-N -1 3 396.347 3.931 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC001210851114 1027679575 /nfs/dbraw/zinc/67/95/75/1027679575.db2.gz IKWWWYASLGGPKQ-CQSZACIVSA-N -1 3 381.812 3.946 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2cccc(Cl)c2)nn1 ZINC001210957370 1027720503 /nfs/dbraw/zinc/72/05/03/1027720503.db2.gz MGHAFUKYQDPAHJ-SFHVURJKSA-N -1 3 391.855 3.645 20 0 GHADHM CCOC(=O)C(=Cc1cccc2c1OCO2)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000840713384 1027751762 /nfs/dbraw/zinc/75/17/62/1027751762.db2.gz NDYGHFQILRNHLS-JYRVWZFOSA-N -1 3 398.440 3.846 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC001211264708 1027870038 /nfs/dbraw/zinc/87/00/38/1027870038.db2.gz BSSGBYPGIATFBD-ZDUSSCGKSA-N -1 3 387.288 3.889 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccc(C)o1 ZINC001211368820 1027924062 /nfs/dbraw/zinc/92/40/62/1027924062.db2.gz NQOYHVPSBTXMED-OAHLLOKOSA-N -1 3 392.502 3.768 20 0 GHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCCC3=O)c2)cc1 ZINC000840911747 1027946560 /nfs/dbraw/zinc/94/65/60/1027946560.db2.gz OQTXWARGRCHTDQ-UHFFFAOYSA-N -1 3 386.473 3.656 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1OC(F)F ZINC001211412249 1027948069 /nfs/dbraw/zinc/94/80/69/1027948069.db2.gz JNASWAAWPLUWTK-SSDOTTSWSA-N -1 3 399.312 3.884 20 0 GHADHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC1CCCCC1 ZINC001211456374 1027969063 /nfs/dbraw/zinc/96/90/63/1027969063.db2.gz YYOGFCFKYDRJBK-AZUAARDMSA-N -1 3 393.549 3.538 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC001211462102 1027971239 /nfs/dbraw/zinc/97/12/39/1027971239.db2.gz XWOXPSUZEYZXRR-NSHDSACASA-N -1 3 377.359 3.806 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(C(F)(F)F)cnn2C)c1 ZINC001213239798 1028063348 /nfs/dbraw/zinc/06/33/48/1028063348.db2.gz BAMYQPGYNRTLJF-UHFFFAOYSA-N -1 3 395.834 3.523 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001213259112 1028074352 /nfs/dbraw/zinc/07/43/52/1028074352.db2.gz OPAQLAASJTZUNF-UHFFFAOYSA-N -1 3 378.310 3.984 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCCn3nnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001142109382 1028129561 /nfs/dbraw/zinc/12/95/61/1028129561.db2.gz OFEKRFSAWFECLE-UHFFFAOYSA-N -1 3 397.306 3.623 20 0 GHADHM CN(C)C(=O)N1CCCC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142111260 1028139865 /nfs/dbraw/zinc/13/98/65/1028139865.db2.gz FZGJKGMXVQTSPX-UHFFFAOYSA-N -1 3 386.323 3.811 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(I)c(C)c3)no2)n1 ZINC001213698405 1028338609 /nfs/dbraw/zinc/33/86/09/1028338609.db2.gz VHTCIUFIAIFYAM-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@@H](CC(=O)[O-])C(F)F ZINC000841810193 1028958050 /nfs/dbraw/zinc/95/80/50/1028958050.db2.gz HQAUPNCQUCQPSA-CQSZACIVSA-N -1 3 385.842 3.647 20 0 GHADHM CCc1cccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)c1[O-] ZINC001142631283 1029182602 /nfs/dbraw/zinc/18/26/02/1029182602.db2.gz NGKKOCXPBKZWQF-ZOBUZTSGSA-N -1 3 390.524 3.966 20 0 GHADHM CN(C[C@@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001142663503 1029226767 /nfs/dbraw/zinc/22/67/67/1029226767.db2.gz NHRGCBAUQJSOAW-ZDUSSCGKSA-N -1 3 382.888 3.727 20 0 GHADHM CCC1(C)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001142806879 1029502006 /nfs/dbraw/zinc/50/20/06/1029502006.db2.gz CVWYKVVGMQIEQV-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM COc1cc(Cl)cnc1-c1noc(-c2cc([O-])cc(Br)c2)n1 ZINC001216382923 1029620621 /nfs/dbraw/zinc/62/06/21/1029620621.db2.gz GXBGQBZXGVEDHU-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM CCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cnn1-c1ccccc1C ZINC001142905553 1029667593 /nfs/dbraw/zinc/66/75/93/1029667593.db2.gz ITNPHMHUJZWDAT-UHFFFAOYSA-N -1 3 395.463 3.674 20 0 GHADHM CCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cnn1-c1ccccc1C ZINC001142905553 1029667601 /nfs/dbraw/zinc/66/76/01/1029667601.db2.gz ITNPHMHUJZWDAT-UHFFFAOYSA-N -1 3 395.463 3.674 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2cccc(F)c2I)no1 ZINC001216735645 1029911453 /nfs/dbraw/zinc/91/14/53/1029911453.db2.gz OZINLJYFPCKETR-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CC(C)c1ccc(CCC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)cc1 ZINC001143253993 1029949435 /nfs/dbraw/zinc/94/94/35/1029949435.db2.gz IXVANNKWADZALQ-UHFFFAOYSA-N -1 3 376.460 3.925 20 0 GHADHM CCCO[N-]C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001143266408 1029962004 /nfs/dbraw/zinc/96/20/04/1029962004.db2.gz WSACXXRURODKAI-UHFFFAOYSA-N -1 3 391.265 3.702 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001222115332 1029969654 /nfs/dbraw/zinc/96/96/54/1029969654.db2.gz QFSWPKSIUQALJE-IJEWVQPXSA-N -1 3 397.441 3.947 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)c(Br)c1 ZINC001216958000 1030031684 /nfs/dbraw/zinc/03/16/84/1030031684.db2.gz BRKXHUOHOAJWPY-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM Cc1c(-c2noc(-c3cccc(OCCO)c3[O-])n2)cccc1C(F)(F)F ZINC001216959870 1030033051 /nfs/dbraw/zinc/03/30/51/1030033051.db2.gz YICUWHDLRNVENV-UHFFFAOYSA-N -1 3 380.322 3.808 20 0 GHADHM [O-]c1ccc(-c2nc(-c3ccccc3N3CCOCC3)no2)c(C(F)(F)F)c1 ZINC001216982913 1030051320 /nfs/dbraw/zinc/05/13/20/1030051320.db2.gz OOZDWOZRIGNRDO-UHFFFAOYSA-N -1 3 391.349 3.965 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC001149195523 1030087126 /nfs/dbraw/zinc/08/71/26/1030087126.db2.gz GXYBYOXGBXZETQ-KBPBESRZSA-N -1 3 399.491 3.719 20 0 GHADHM Cc1nc2ccccc2c(C(=O)NCc2ccccc2OC2CCOCC2)c1[O-] ZINC001149205573 1030091305 /nfs/dbraw/zinc/09/13/05/1030091305.db2.gz FLGIPIAQIVHQLC-UHFFFAOYSA-N -1 3 392.455 3.737 20 0 GHADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC001149241531 1030102305 /nfs/dbraw/zinc/10/23/05/1030102305.db2.gz LOJBFZHWXVMDAH-BGJPBQGDSA-N -1 3 396.306 3.725 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2coc3cc(O)ccc23)c([O-])c1 ZINC001149600436 1030239534 /nfs/dbraw/zinc/23/95/34/1030239534.db2.gz FJTWDJSPVNWLQU-UHFFFAOYSA-N -1 3 383.400 3.981 20 0 GHADHM COc1cc2c(cc1-c1noc(-c3[n-]nc4c3cccc4F)n1)CCCC2=O ZINC001217322709 1030309216 /nfs/dbraw/zinc/30/92/16/1030309216.db2.gz HPGQLWZUMJYCRJ-UHFFFAOYSA-N -1 3 378.363 3.947 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cc2c(cc1[O-])OCO2 ZINC001150030018 1030379506 /nfs/dbraw/zinc/37/95/06/1030379506.db2.gz ILGUYFADKDSIQQ-UHFFFAOYSA-N -1 3 391.248 3.907 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3ccc([O-])c4ncccc34)n2)n1 ZINC001217491742 1030437781 /nfs/dbraw/zinc/43/77/81/1030437781.db2.gz IERGTPGBGLMXBD-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COc1ncc(-c2noc(-c3ccc([O-])c4ncccc34)n2)cc1Br ZINC001217492443 1030439023 /nfs/dbraw/zinc/43/90/23/1030439023.db2.gz XZKVSVUCXOGOQL-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cc(F)c(OC)c(F)c4)no3)c2c1 ZINC001217499895 1030442649 /nfs/dbraw/zinc/44/26/49/1030442649.db2.gz MXZJSWLRBWXXEG-UHFFFAOYSA-N -1 3 385.326 3.953 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(N5CCCC5)cc4)no3)c21 ZINC001217512007 1030454266 /nfs/dbraw/zinc/45/42/66/1030454266.db2.gz JIGCUFRVECURJS-UHFFFAOYSA-N -1 3 389.415 3.667 20 0 GHADHM CC(C)CC1(NC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)CCOCC1 ZINC001150477804 1030541227 /nfs/dbraw/zinc/54/12/27/1030541227.db2.gz LSCUMWWWUMHEBH-UHFFFAOYSA-N -1 3 396.409 3.872 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001217637173 1030559787 /nfs/dbraw/zinc/55/97/87/1030559787.db2.gz PIKKIUPZSVSSFA-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)c1cc([O-])ccc1Cl ZINC001150796151 1030661633 /nfs/dbraw/zinc/66/16/33/1030661633.db2.gz QAJMRADKOQHDIF-UHOFOFEASA-N -1 3 378.653 3.876 20 0 GHADHM O=c1c(O[C@@H]2CCC23CC[NH2+]CC3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218080183 1030760763 /nfs/dbraw/zinc/76/07/63/1030760763.db2.gz BWXNYLRZKKUIAC-GOSISDBHSA-N -1 3 393.439 3.782 20 0 GHADHM Cc1cc2c(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)csc2s1 ZINC001151183934 1030797047 /nfs/dbraw/zinc/79/70/47/1030797047.db2.gz AMWFVTPQIQRIKC-JTQLQIEISA-N -1 3 384.523 3.775 20 0 GHADHM O=C(Nc1ccccc1-n1cccn1)c1nc2cc(Br)ccc2[n-]1 ZINC001151826247 1031021559 /nfs/dbraw/zinc/02/15/59/1031021559.db2.gz BGSLOXALZWTDKV-UHFFFAOYSA-N -1 3 382.221 3.763 20 0 GHADHM O=C(Nc1ccccc1-n1cccn1)c1nc2ccc(Br)cc2[n-]1 ZINC001151826247 1031021582 /nfs/dbraw/zinc/02/15/82/1031021582.db2.gz BGSLOXALZWTDKV-UHFFFAOYSA-N -1 3 382.221 3.763 20 0 GHADHM O=C(N[C@H]1CCCCC12OCCO2)c1cc(CCc2ccccc2)ccc1[O-] ZINC001152020531 1031078361 /nfs/dbraw/zinc/07/83/61/1031078361.db2.gz IWZPIADLQKOFNA-NRFANRHFSA-N -1 3 381.472 3.593 20 0 GHADHM Cc1cccc(-c2cc(N)c(C(=O)Nc3ccccc3-c3nnn[n-]3)s2)c1 ZINC001218855108 1031117427 /nfs/dbraw/zinc/11/74/27/1031117427.db2.gz DYKGSNDMNAQHKI-UHFFFAOYSA-N -1 3 376.445 3.738 20 0 GHADHM Cc1cccc(-c2cc(N)c(C(=O)Nc3ccccc3-c3nn[n-]n3)s2)c1 ZINC001218855108 1031117438 /nfs/dbraw/zinc/11/74/38/1031117438.db2.gz DYKGSNDMNAQHKI-UHFFFAOYSA-N -1 3 376.445 3.738 20 0 GHADHM Cc1nc(CN2C[C@@]3(CC2=O)CCCCN3Cc2ccc([S-])cc2)cs1 ZINC001277044500 1031417006 /nfs/dbraw/zinc/41/70/06/1031417006.db2.gz WLAIOUNIRBHZBW-FQEVSTJZSA-N -1 3 387.574 3.897 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[n-]n1 ZINC001153263958 1031513081 /nfs/dbraw/zinc/51/30/81/1031513081.db2.gz JCLXRULDPDDJNK-GOSISDBHSA-N -1 3 377.444 3.942 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)n[n-]1 ZINC001153263958 1031513098 /nfs/dbraw/zinc/51/30/98/1031513098.db2.gz JCLXRULDPDDJNK-GOSISDBHSA-N -1 3 377.444 3.942 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)[n-]n1 ZINC001153264732 1031513367 /nfs/dbraw/zinc/51/33/67/1031513367.db2.gz SCVDEJCDZSALEP-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)n[n-]1 ZINC001153264732 1031513379 /nfs/dbraw/zinc/51/33/79/1031513379.db2.gz SCVDEJCDZSALEP-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nc(F)cc(C(F)(F)F)c3F)cc12 ZINC001153458648 1031601749 /nfs/dbraw/zinc/60/17/49/1031601749.db2.gz VZRZOCQNISZGGE-UHFFFAOYSA-N -1 3 376.310 3.888 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])CC1(C)C ZINC001153473544 1031607192 /nfs/dbraw/zinc/60/71/92/1031607192.db2.gz NZRAQPGJQYTKBA-KRWDZBQOSA-N -1 3 384.270 3.851 20 0 GHADHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225852499 1031653125 /nfs/dbraw/zinc/65/31/25/1031653125.db2.gz KVAOOMOJKGULIL-GFCCVEGCSA-N -1 3 386.395 3.727 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001219941998 1031707481 /nfs/dbraw/zinc/70/74/81/1031707481.db2.gz ASJRSEZJYHDILM-OAHLLOKOSA-N -1 3 399.344 3.517 20 0 GHADHM O=C(NCc1sccc1Cl)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153882050 1031789872 /nfs/dbraw/zinc/78/98/72/1031789872.db2.gz YJYTYPJYRATPCY-UHFFFAOYSA-N -1 3 397.681 3.936 20 0 GHADHM O=C(NCc1coc(-c2ccc(F)cc2)n1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908201 1031804866 /nfs/dbraw/zinc/80/48/66/1031804866.db2.gz JSTGSEMPBKYKKZ-UHFFFAOYSA-N -1 3 397.793 3.906 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCC2(Cc3ccccc3O2)CC1 ZINC001154027093 1031885216 /nfs/dbraw/zinc/88/52/16/1031885216.db2.gz RQDYFDQMIHWBLY-UHFFFAOYSA-N -1 3 375.424 3.861 20 0 GHADHM S=c1nc2c(c(O[C@@H]3CCOc4ccc(Br)cc43)[n-]1)CCC2 ZINC001226297006 1031905990 /nfs/dbraw/zinc/90/59/90/1031905990.db2.gz GXDCLQWGRJSBIG-CQSZACIVSA-N -1 3 379.279 3.919 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCC(=CF)CCc3ccc(F)cc3)[n-]c2c1 ZINC001154119140 1031936820 /nfs/dbraw/zinc/93/68/20/1031936820.db2.gz GVHUVPSOPJOEKK-NTCAYCPXSA-N -1 3 398.409 3.892 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2OC)[n-]n1 ZINC001154189558 1031975938 /nfs/dbraw/zinc/97/59/38/1031975938.db2.gz ZBHUQXAKYHIAHH-UHFFFAOYSA-N -1 3 379.825 3.715 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2OC)n[n-]1 ZINC001154189558 1031975940 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CC[C@@H](C)N[C@H](CNC(=O)c1cc(Br)cc(F)c1[O-])c1ccco1 ZINC001161305379 1035206296 /nfs/dbraw/zinc/20/62/96/1035206296.db2.gz MQQDGFJNIPLTEU-QMTHXVAHSA-N -1 3 399.260 3.746 20 0 GHADHM O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC001161712723 1035289011 /nfs/dbraw/zinc/28/90/11/1035289011.db2.gz FOXXBDREKWPNPB-MRXNPFEDSA-N -1 3 391.254 3.688 20 0 GHADHM O=C(c1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1)N1CCCCC1 ZINC001243515339 1036188226 /nfs/dbraw/zinc/18/82/26/1036188226.db2.gz RKBUGLSLITXZOZ-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM O=C(c1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1)N1CCCCC1 ZINC001243515339 1036188235 /nfs/dbraw/zinc/18/82/35/1036188235.db2.gz RKBUGLSLITXZOZ-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM [O-]c1ccc(-c2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)c(Cl)c1 ZINC001245078265 1036756900 /nfs/dbraw/zinc/75/69/00/1036756900.db2.gz BHNUMVMKDVCKPL-UHFFFAOYSA-N -1 3 384.842 3.968 20 0 GHADHM CC(C)N1CCN(Cc2ccc(-c3cc(CC(=O)[O-])ccc3F)c(F)c2)CC1 ZINC001245322960 1036877615 /nfs/dbraw/zinc/87/76/15/1036877615.db2.gz RNTXSZNBJGOOPG-UHFFFAOYSA-N -1 3 388.458 3.785 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)c1 ZINC001462214604 1070089311 /nfs/dbraw/zinc/08/93/11/1070089311.db2.gz HCRMTAYMHLINDS-UHFFFAOYSA-N -1 3 381.523 3.596 20 0 GHADHM O=C1C=C([O-])CC(c2nc(-c3cc(F)c(Cl)c(Br)c3)no2)C1 ZINC001247547004 1038242799 /nfs/dbraw/zinc/24/27/99/1038242799.db2.gz OTTGMLTYXLIJRE-UHFFFAOYSA-N -1 3 387.592 3.697 20 0 GHADHM [O-]c1cccc(CN2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1Cl ZINC001232787665 1038554815 /nfs/dbraw/zinc/55/48/15/1038554815.db2.gz QEPWBASYIUAVAS-HNNXBMFYSA-N -1 3 392.858 3.782 20 0 GHADHM COc1ccc2c(c1)CCN(Cc1ccc([O-])c(I)c1)C2 ZINC001232868105 1038631543 /nfs/dbraw/zinc/63/15/43/1038631543.db2.gz LNBJXLSRADMAOM-UHFFFAOYSA-N -1 3 395.240 3.564 20 0 GHADHM CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232936713 1038717747 /nfs/dbraw/zinc/71/77/47/1038717747.db2.gz VHFPNDCJKOVEBZ-INIZCTEOSA-N -1 3 392.446 3.519 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232941639 1038720461 /nfs/dbraw/zinc/72/04/61/1038720461.db2.gz ZOICJIVJSJMGBP-ROUUACIJSA-N -1 3 375.415 3.982 20 0 GHADHM [O-]c1cc(CN2CCC3(CC2)CN(Cc2cccs2)CCO3)cc(F)c1F ZINC001232971670 1038743176 /nfs/dbraw/zinc/74/31/76/1038743176.db2.gz GMEBJXYLFZQZJF-UHFFFAOYSA-N -1 3 394.487 3.599 20 0 GHADHM CC(C)(C)OC(=O)CCN(CCC(=O)OC(C)(C)C)Cc1cccc([O-])c1F ZINC001233054747 1038815122 /nfs/dbraw/zinc/81/51/22/1038815122.db2.gz WXAMRGUNIQLCPX-UHFFFAOYSA-N -1 3 397.487 3.797 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001278674253 1039048907 /nfs/dbraw/zinc/04/89/07/1039048907.db2.gz CCQNFSNFAZEHTP-BETUJISGSA-N -1 3 376.806 3.677 20 0 GHADHM Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(Cc3c(F)ccc([O-])c3F)C[C@H]21 ZINC001233393679 1039226812 /nfs/dbraw/zinc/22/68/12/1039226812.db2.gz GYXRQKIBHRRWDG-HIFRSBDPSA-N -1 3 399.416 3.982 20 0 GHADHM COc1ccc(CN2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233397831 1039233543 /nfs/dbraw/zinc/23/35/43/1039233543.db2.gz NNFPQZKTXSCJTP-IBGZPJMESA-N -1 3 384.904 3.933 20 0 GHADHM COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398685 1039235459 /nfs/dbraw/zinc/23/54/59/1039235459.db2.gz VBQLAXNNWXHQPP-OKILXGFUSA-N -1 3 382.888 3.638 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1c(F)cccc1OC[C@@H]1CCCO1 ZINC001253047829 1039376842 /nfs/dbraw/zinc/37/68/42/1039376842.db2.gz YGOKCRQNIZVDMI-BYIUCRAPSA-N -1 3 377.437 3.796 20 0 GHADHM COCCc1ccc(OC[C@H](O)CNc2ccc(Cl)c(Cl)c2[O-])cc1 ZINC001253060770 1039389110 /nfs/dbraw/zinc/38/91/10/1039389110.db2.gz IPSIKUNIALCMLL-CYBMUJFWSA-N -1 3 386.275 3.740 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)c1cccc2ccccc21 ZINC001253078938 1039406438 /nfs/dbraw/zinc/40/64/38/1039406438.db2.gz OBQOXIVNXKUEOP-DAMWEWLOSA-N -1 3 381.453 3.644 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CCO[C@@H]21 ZINC001233591579 1039464488 /nfs/dbraw/zinc/46/44/88/1039464488.db2.gz HDFDPXZUUHDMKJ-LXZKKBNFSA-N -1 3 383.872 3.900 20 0 GHADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001233592839 1039465214 /nfs/dbraw/zinc/46/52/14/1039465214.db2.gz QVEBFUCMYSFBMZ-LJQANCHMSA-N -1 3 385.851 3.687 20 0 GHADHM Cc1nnc([C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccc3ccccc32)o1 ZINC001253422217 1039617503 /nfs/dbraw/zinc/61/75/03/1039617503.db2.gz UZYYSRUSRODPDR-IBGZPJMESA-N -1 3 393.468 3.794 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2ccc([O-])c(F)c2F)cc1 ZINC001253422666 1039617737 /nfs/dbraw/zinc/61/77/37/1039617737.db2.gz AFHRHXUKOXXKDX-AWEZNQCLSA-N -1 3 379.403 3.598 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2ccc([O-])c(F)c2F)cc1 ZINC001253422669 1039617864 /nfs/dbraw/zinc/61/78/64/1039617864.db2.gz AFHRHXUKOXXKDX-CQSZACIVSA-N -1 3 379.403 3.598 20 0 GHADHM [O-]c1cc(I)cc(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253593820 1039713303 /nfs/dbraw/zinc/71/33/03/1039713303.db2.gz CKEDDBORVAHYPZ-UHFFFAOYSA-N -1 3 378.169 3.638 20 0 GHADHM CCCc1nnc([C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(C)cc2)o1 ZINC001253977769 1039932181 /nfs/dbraw/zinc/93/21/81/1039932181.db2.gz ZRWPROHMMLYNCN-SFHVURJKSA-N -1 3 385.489 3.593 20 0 GHADHM [O-]c1ccc(I)c(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC001254212278 1040068887 /nfs/dbraw/zinc/06/88/87/1040068887.db2.gz FSTXAERCIHVPEW-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCOC[C@H]1C)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234762917 1040291385 /nfs/dbraw/zinc/29/13/85/1040291385.db2.gz SHUZRPKEJJNEJO-XWIAVFTESA-N -1 3 384.428 3.911 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235126468 1040617691 /nfs/dbraw/zinc/61/76/91/1040617691.db2.gz IPUIXJLSNLYWBR-UHFFFAOYSA-N -1 3 389.455 3.538 20 0 GHADHM CCOc1ccc(-c2nnc(C(=O)[N-]c3ccc(Cl)cn3)o2)cc1OCC ZINC001255000786 1040721861 /nfs/dbraw/zinc/72/18/61/1040721861.db2.gz JJDNVHPBLOUPDI-UHFFFAOYSA-N -1 3 388.811 3.835 20 0 GHADHM [O-]c1cc(F)c(CN2CCN[C@@H](c3cccc(Br)c3)C2)cc1F ZINC001235797693 1041301510 /nfs/dbraw/zinc/30/15/10/1041301510.db2.gz IDGFLKNDTMKOJU-MRXNPFEDSA-N -1 3 383.236 3.579 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Br)cc1C ZINC001256062307 1041500287 /nfs/dbraw/zinc/50/02/87/1041500287.db2.gz RCWJLIOEURBYSZ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)([N-]Cc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1F ZINC001256119642 1041552598 /nfs/dbraw/zinc/55/25/98/1041552598.db2.gz ZWTWSSSBMAHSMD-UHFFFAOYSA-N -1 3 384.404 3.706 20 0 GHADHM O=C([O-])c1nnc(-c2ccc(CN3CCCCC3)c(F)c2)cc1C(F)(F)F ZINC001236248990 1041643023 /nfs/dbraw/zinc/64/30/23/1041643023.db2.gz NJLCCLGBNQVIDX-UHFFFAOYSA-N -1 3 383.345 3.986 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1F)c1ccc(Cl)s1 ZINC001256386684 1041715289 /nfs/dbraw/zinc/71/52/89/1041715289.db2.gz FGLFAVDCDQCWJB-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM C[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC001236683705 1041829610 /nfs/dbraw/zinc/82/96/10/1041829610.db2.gz KMWKSZXJSSRVJC-CYBMUJFWSA-N -1 3 399.329 3.986 20 0 GHADHM [O-]c1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)ccc1Br ZINC001236686007 1041831519 /nfs/dbraw/zinc/83/15/19/1041831519.db2.gz RGJKPTANKQAXRS-UHFFFAOYSA-N -1 3 380.257 3.777 20 0 GHADHM CCOc1ccccc1N1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236693090 1041835673 /nfs/dbraw/zinc/83/56/73/1041835673.db2.gz WECZUKCQLVPYDN-UHFFFAOYSA-N -1 3 391.309 3.876 20 0 GHADHM O=C1CN(Cc2ccc(Br)c([O-])c2)CCN1c1ccc(Cl)cc1 ZINC001236696523 1041838114 /nfs/dbraw/zinc/83/81/14/1041838114.db2.gz UKUURENMPLSRMD-UHFFFAOYSA-N -1 3 395.684 3.657 20 0 GHADHM C[C@](O)(C1CCN(Cc2ccc(Br)c([O-])c2)CC1)C(F)(F)F ZINC001236697561 1041839147 /nfs/dbraw/zinc/83/91/47/1041839147.db2.gz FUZWTKGKOIEOPU-AWEZNQCLSA-N -1 3 382.220 3.680 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2F)nc1 ZINC001236993942 1041981921 /nfs/dbraw/zinc/98/19/21/1041981921.db2.gz TTWSWKMMDYPEIF-IBGZPJMESA-N -1 3 399.466 3.903 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc([O-])cc(F)c2)C[C@H]1C(F)(F)F ZINC001237284132 1042123313 /nfs/dbraw/zinc/12/33/13/1042123313.db2.gz SVNIPYGPPCMIEX-CABCVRRESA-N -1 3 392.393 3.809 20 0 GHADHM CNc1ccc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)cn1 ZINC001237530677 1042253268 /nfs/dbraw/zinc/25/32/68/1042253268.db2.gz RCQDUOMRENUMNP-UHFFFAOYSA-N -1 3 375.494 3.563 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1ccc2oc3ccccc3c2c1 ZINC001237546814 1042258663 /nfs/dbraw/zinc/25/86/63/1042258663.db2.gz DUENXWNHOLXAGU-HNNXBMFYSA-N -1 3 383.429 3.799 20 0 GHADHM CC1(C)CCNc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc21 ZINC001237973306 1042441493 /nfs/dbraw/zinc/44/14/93/1042441493.db2.gz VMFGSFLFKFRANM-UHFFFAOYSA-N -1 3 384.457 3.687 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CC[C@H]2C[C@@H](c3ccnc(C(C)C)n3)O[C@@H]2C1 ZINC001238135065 1042500475 /nfs/dbraw/zinc/50/04/75/1042500475.db2.gz FILUFNAZEFKOOD-ORYQWCPZSA-N -1 3 395.503 3.959 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001256518908 1043445085 /nfs/dbraw/zinc/44/50/85/1043445085.db2.gz AKGHBDFEEYWFKL-PHIMTYICSA-N -1 3 394.946 3.516 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)COC1)c1ccc(Cl)s1 ZINC001256528033 1043456062 /nfs/dbraw/zinc/45/60/62/1043456062.db2.gz WVGXTSDVDKBYJC-UHFFFAOYSA-N -1 3 397.827 3.624 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\CCc2ccccc2)cc1OC ZINC001291826515 1043489926 /nfs/dbraw/zinc/48/99/26/1043489926.db2.gz YHFCQZCCCNKFRT-WQLSENKSSA-N -1 3 388.489 3.584 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Br)c1ccccc1C(F)(F)F ZINC001256628782 1043582429 /nfs/dbraw/zinc/58/24/29/1043582429.db2.gz HLFGHCOAGPQUDT-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1 ZINC001292236994 1043640687 /nfs/dbraw/zinc/64/06/87/1043640687.db2.gz VAQRSPNVBNRRPY-MRXNPFEDSA-N -1 3 377.437 3.678 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001292553917 1043784533 /nfs/dbraw/zinc/78/45/33/1043784533.db2.gz DFILWOMBDFAHIS-KBPBESRZSA-N -1 3 394.537 3.880 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)nc1)c1cccc(Cl)c1Cl ZINC001257183154 1043922733 /nfs/dbraw/zinc/92/27/33/1043922733.db2.gz LMUZBTQLWGBFFY-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COc1cc(CNS(=O)(=O)c2cccc(Cl)c2Cl)cc(Cl)c1[O-] ZINC001257294015 1043959353 /nfs/dbraw/zinc/95/93/53/1043959353.db2.gz XHXLADTYFFYSLT-UHFFFAOYSA-N -1 3 396.679 3.840 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)c1F ZINC001257628477 1044092686 /nfs/dbraw/zinc/09/26/86/1044092686.db2.gz PAKQSNQREYIKJQ-UHFFFAOYSA-N -1 3 389.807 3.822 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccc(O)cc1)C(F)(F)F ZINC001257644677 1044096685 /nfs/dbraw/zinc/09/66/85/1044096685.db2.gz KCXHHLMYLSQCHS-AWEZNQCLSA-N -1 3 379.787 3.936 20 0 GHADHM COc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257791464 1044175373 /nfs/dbraw/zinc/17/53/73/1044175373.db2.gz WGWUJVNQJWKQME-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM COc1cccc([O-])c1C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC001293676488 1044289715 /nfs/dbraw/zinc/28/97/15/1044289715.db2.gz FADKEJZKKLRVHX-UHFFFAOYSA-N -1 3 380.444 3.556 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1F ZINC001258487284 1044578681 /nfs/dbraw/zinc/57/86/81/1044578681.db2.gz YBFASZDJOFWADP-OAHLLOKOSA-N -1 3 385.892 3.731 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001294608409 1044725717 /nfs/dbraw/zinc/72/57/17/1044725717.db2.gz ORPPJXBICXTMRD-SNVBAGLBSA-N -1 3 382.229 3.663 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC001258927069 1044882641 /nfs/dbraw/zinc/88/26/41/1044882641.db2.gz XACUOXNEKHNQSU-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cnc3c(F)cccc3c1)C(=O)C2 ZINC001258979729 1044917393 /nfs/dbraw/zinc/91/73/93/1044917393.db2.gz CMXCUQFYXSWJAQ-BFUOFWGJSA-N -1 3 376.453 3.511 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)c3cnccc13)C(=O)C2 ZINC001258987021 1044920176 /nfs/dbraw/zinc/92/01/76/1044920176.db2.gz PGSRCVIPYFYQHH-CWTRNNRKSA-N -1 3 376.453 3.511 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2 ZINC001259049930 1044935875 /nfs/dbraw/zinc/93/58/75/1044935875.db2.gz DLCLGBJAQIZOPI-HXUWFJFHSA-N -1 3 378.453 3.634 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2F)CC1)c1ccc(Br)s1 ZINC001259061866 1044943038 /nfs/dbraw/zinc/94/30/38/1044943038.db2.gz CZGQQMPIIUEOJN-UHFFFAOYSA-N -1 3 390.299 3.703 20 0 GHADHM CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001295254171 1044966489 /nfs/dbraw/zinc/96/64/89/1044966489.db2.gz JPBRORCCROUMKV-UHFFFAOYSA-N -1 3 396.531 3.848 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1cccc2cnccc21 ZINC001259156670 1044982173 /nfs/dbraw/zinc/98/21/73/1044982173.db2.gz FWBJEMVJPCHOFQ-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2F)cc1 ZINC001259176531 1044992766 /nfs/dbraw/zinc/99/27/66/1044992766.db2.gz GAHRNTZZKGAGGT-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1 ZINC001259178632 1044994610 /nfs/dbraw/zinc/99/46/10/1044994610.db2.gz VYTBGVGDYGGSRA-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2F)c1 ZINC001259189800 1044998065 /nfs/dbraw/zinc/99/80/65/1044998065.db2.gz CMYQAAHSQGSBDZ-UHFFFAOYSA-N -1 3 396.440 3.982 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)nc1Cl ZINC001259197617 1045003206 /nfs/dbraw/zinc/00/32/06/1045003206.db2.gz DLSLSECKAOAIRO-UHFFFAOYSA-N -1 3 396.774 3.751 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(-c3ccccc3)c1)C(=O)N2 ZINC001259232206 1045028708 /nfs/dbraw/zinc/02/87/08/1045028708.db2.gz LQWMBCBTGUTFJS-HXUWFJFHSA-N -1 3 378.453 3.634 20 0 GHADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c([O-])c1 ZINC001295674247 1045093622 /nfs/dbraw/zinc/09/36/22/1045093622.db2.gz JPBYQHMMZCSMNL-HNNXBMFYSA-N -1 3 379.243 3.543 20 0 GHADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2)ccn1 ZINC001259357226 1045098050 /nfs/dbraw/zinc/09/80/50/1045098050.db2.gz RNLBJLWWTBBECG-UHFFFAOYSA-N -1 3 382.441 3.918 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)Cl)cc1)c1ccc2c(c1)CCO2 ZINC001259357222 1045098265 /nfs/dbraw/zinc/09/82/65/1045098265.db2.gz RHSNIPHCAIXYGY-UHFFFAOYSA-N -1 3 375.780 3.590 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001295790446 1045140214 /nfs/dbraw/zinc/14/02/14/1045140214.db2.gz DNAMATQWIJIEPM-QWHCGFSZSA-N -1 3 390.505 3.982 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1OC[C@@H]1CCCO1 ZINC001259490798 1045198834 /nfs/dbraw/zinc/19/88/34/1045198834.db2.gz QIBFQYODJSOJBO-AWEZNQCLSA-N -1 3 383.416 3.632 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(F)c(Br)c1 ZINC001295979505 1045206266 /nfs/dbraw/zinc/20/62/66/1045206266.db2.gz OXZKHOFKGBIWJC-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1nccs1)c1cc(F)c(F)c(F)c1 ZINC001259503948 1045208045 /nfs/dbraw/zinc/20/80/45/1045208045.db2.gz YEPXUKHVEBSXLR-HNNXBMFYSA-N -1 3 398.431 3.823 20 0 GHADHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1Br)c1cccnc1 ZINC001259601641 1045240954 /nfs/dbraw/zinc/24/09/54/1045240954.db2.gz JJSAUUHVJRAHLO-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC001259608394 1045242228 /nfs/dbraw/zinc/24/22/28/1045242228.db2.gz IOPOUXXPTNBHAO-UHFFFAOYSA-N -1 3 383.857 3.883 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1 ZINC001259717268 1045274273 /nfs/dbraw/zinc/27/42/73/1045274273.db2.gz HROKZNUINZPWPX-UHFFFAOYSA-N -1 3 391.493 3.678 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC001259738523 1045280690 /nfs/dbraw/zinc/28/06/90/1045280690.db2.gz FCYYAKLFVFODAV-UHFFFAOYSA-N -1 3 379.453 3.765 20 0 GHADHM O=C1CCCC[C@]1([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1Cl ZINC001259740939 1045281862 /nfs/dbraw/zinc/28/18/62/1045281862.db2.gz DWWHWANUEQJTKS-FQEVSTJZSA-N -1 3 391.920 3.841 20 0 GHADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC001296246404 1045287190 /nfs/dbraw/zinc/28/71/90/1045287190.db2.gz MBESSOGWRMPTBM-UHFFFAOYSA-N -1 3 389.337 3.516 20 0 GHADHM Cc1cc(O)c([N-]S(=O)(=O)CCc2ccc(F)cc2)cc1Br ZINC001259760825 1045290489 /nfs/dbraw/zinc/29/04/89/1045290489.db2.gz AVCNQZNAVWTQQE-UHFFFAOYSA-N -1 3 388.258 3.587 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1cnc(Br)c(Cl)c1 ZINC001259767584 1045295042 /nfs/dbraw/zinc/29/50/42/1045295042.db2.gz LTVHJMSYEGAFCC-UHFFFAOYSA-N -1 3 393.665 3.621 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1[O-] ZINC001296290697 1045296192 /nfs/dbraw/zinc/29/61/92/1045296192.db2.gz BLPQSNSXOKCASR-NSHDSACASA-N -1 3 381.213 3.814 20 0 GHADHM CC(C)COC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)cc1 ZINC001259773158 1045297627 /nfs/dbraw/zinc/29/76/27/1045297627.db2.gz JUSDPZQHYSTHFZ-UHFFFAOYSA-N -1 3 379.453 3.623 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1cc(F)cc(Br)c1 ZINC001259785640 1045303355 /nfs/dbraw/zinc/30/33/55/1045303355.db2.gz INBHEMVCNOUXLK-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(C)CC(F)(F)C3)s2)cs1 ZINC001259984495 1045341742 /nfs/dbraw/zinc/34/17/42/1045341742.db2.gz RTMSYWBXPCTXTK-UHFFFAOYSA-N -1 3 378.491 3.894 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2C)cc(C(F)(F)F)c1 ZINC001260022424 1045358850 /nfs/dbraw/zinc/35/88/50/1045358850.db2.gz VPEKQHVNSWQXBK-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)c(O)c1 ZINC001260023788 1045359505 /nfs/dbraw/zinc/35/95/05/1045359505.db2.gz URBCFOAEHGPVGJ-UHFFFAOYSA-N -1 3 377.462 3.598 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cncc(OC(F)F)c1 ZINC001260028479 1045362978 /nfs/dbraw/zinc/36/29/78/1045362978.db2.gz RZMKFYPNYXXAPP-UHFFFAOYSA-N -1 3 382.310 3.644 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c([O-])c1 ZINC001296961270 1045408397 /nfs/dbraw/zinc/40/83/97/1045408397.db2.gz QQMLAYFESHXHOP-CQSZACIVSA-N -1 3 380.213 3.720 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(F)c(O)c3)c1C)CC(C)(C)O2 ZINC001260247276 1045427485 /nfs/dbraw/zinc/42/74/85/1045427485.db2.gz SJXBROFYWHHFAW-UHFFFAOYSA-N -1 3 379.453 3.971 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(Cl)n1 ZINC001260266099 1045432154 /nfs/dbraw/zinc/43/21/54/1045432154.db2.gz PKXDVSQPLNKWKD-UHFFFAOYSA-N -1 3 386.182 3.911 20 0 GHADHM CCc1nc(C(=O)Nc2nc(C)ccc2[O-])nn1-c1c(Cl)cccc1Cl ZINC001297159219 1045468088 /nfs/dbraw/zinc/46/80/88/1045468088.db2.gz SFXYYEMKOIMJLY-UHFFFAOYSA-N -1 3 392.246 3.798 20 0 GHADHM O=c1[nH]c(Br)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260366653 1045476803 /nfs/dbraw/zinc/47/68/03/1045476803.db2.gz DHLTZYUZSCEQPR-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1Cl)c1ccc(Br)cc1F ZINC001260382055 1045484524 /nfs/dbraw/zinc/48/45/24/1045484524.db2.gz PDSAMDDGEVCWPI-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1cc([N-]S(=O)(=O)Cc2ccccc2F)cc(F)c1Br ZINC001260628303 1045579242 /nfs/dbraw/zinc/57/92/42/1045579242.db2.gz OWJRAHYDZJJVIM-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-][C@@H](Cc1ccccc1)c1nccs1 ZINC001260630652 1045580284 /nfs/dbraw/zinc/58/02/84/1045580284.db2.gz WMWULDWNPFGZDP-KRWDZBQOSA-N -1 3 376.478 3.686 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1OC ZINC001260716842 1045623371 /nfs/dbraw/zinc/62/33/71/1045623371.db2.gz FRMFGZABDHWMAQ-UHFFFAOYSA-N -1 3 391.489 3.917 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-][C@@H](c1ccc(O)cc1)C(F)(F)F ZINC001260775622 1045654776 /nfs/dbraw/zinc/65/47/76/1045654776.db2.gz QWKGQVSRHJQKFW-INIZCTEOSA-N -1 3 389.395 3.600 20 0 GHADHM O=C1CCc2cccc([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2N1 ZINC001260823951 1045690340 /nfs/dbraw/zinc/69/03/40/1045690340.db2.gz ROQJUUMFEFHOGO-UHFFFAOYSA-N -1 3 385.272 3.820 20 0 GHADHM O=C(NCc1cc(Br)no1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001298086065 1045699733 /nfs/dbraw/zinc/69/97/33/1045699733.db2.gz NDNUPLHHINJFBH-UHFFFAOYSA-N -1 3 387.233 3.664 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1F)c1ccc(Br)c(F)c1 ZINC001260849928 1045710872 /nfs/dbraw/zinc/71/08/72/1045710872.db2.gz DVYRMUVLKPOMBR-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c(Cl)n1 ZINC001260904692 1045763141 /nfs/dbraw/zinc/76/31/41/1045763141.db2.gz FUTQABGMHRXYBK-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM C[C@H](CCc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261011907 1045832622 /nfs/dbraw/zinc/83/26/22/1045832622.db2.gz GEYHKPZBQQYSQE-LLVKDONJSA-N -1 3 391.386 3.850 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)cnn1-c1ccccn1 ZINC001298513650 1045846365 /nfs/dbraw/zinc/84/63/65/1045846365.db2.gz KUZWPWTZYTVXTN-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC001261063643 1045882717 /nfs/dbraw/zinc/88/27/17/1045882717.db2.gz WVQSOQPWLVSTOM-CQSZACIVSA-N -1 3 387.910 3.864 20 0 GHADHM CCc1ccc([C@H]2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)cc1 ZINC001298617544 1045897053 /nfs/dbraw/zinc/89/70/53/1045897053.db2.gz DUXHHUNKCQUOLK-HNNXBMFYSA-N -1 3 382.410 3.998 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1ccco1 ZINC001462988473 1070710997 /nfs/dbraw/zinc/71/09/97/1070710997.db2.gz DXZFOQSBWKZGIX-KRWDZBQOSA-N -1 3 393.505 3.685 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2nc(-c3ccccc3F)cs2)s1 ZINC001261777818 1046084565 /nfs/dbraw/zinc/08/45/65/1046084565.db2.gz OPPBXAXPNWNVCV-UHFFFAOYSA-N -1 3 377.422 3.835 20 0 GHADHM CC1(c2nsc([N-]C(=O)c3sccc3NC(=O)c3ccncc3)n2)CC1 ZINC001301104376 1046342293 /nfs/dbraw/zinc/34/22/93/1046342293.db2.gz NNOXAOXOCGCYCI-UHFFFAOYSA-N -1 3 385.474 3.551 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC001463101446 1070794824 /nfs/dbraw/zinc/79/48/24/1070794824.db2.gz YYLCJFNOHCRLPU-VHSXEESVSA-N -1 3 387.420 3.677 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)C2 ZINC001301714957 1046672561 /nfs/dbraw/zinc/67/25/61/1046672561.db2.gz BMQIXGQHBPNIGO-QMMMGPOBSA-N -1 3 384.288 3.820 20 0 GHADHM COCc1c(C(=O)Nc2ccccc2-c2nnn[n-]2)sc2cccc(F)c21 ZINC001301884289 1046746494 /nfs/dbraw/zinc/74/64/94/1046746494.db2.gz DFCRVHNQDPXGBV-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM COCc1c(C(=O)Nc2ccccc2-c2nn[n-]n2)sc2cccc(F)c21 ZINC001301884289 1046746508 /nfs/dbraw/zinc/74/65/08/1046746508.db2.gz DFCRVHNQDPXGBV-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM O=C([N-]Cc1c2nc[nH]c2ccc1F)C(F)(F)c1ccccc1Br ZINC001301949055 1046758742 /nfs/dbraw/zinc/75/87/42/1046758742.db2.gz JYWLMIWYHKOSJL-UHFFFAOYSA-N -1 3 398.182 3.873 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cccc(OC(F)(F)F)c1F ZINC001463136378 1070840895 /nfs/dbraw/zinc/84/08/95/1070840895.db2.gz PIPTVDRAWHOZQF-JTQLQIEISA-N -1 3 393.383 3.850 20 0 GHADHM CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001303170430 1047300660 /nfs/dbraw/zinc/30/06/60/1047300660.db2.gz MUYQVCWSIMIEGU-ZDUSSCGKSA-N -1 3 375.371 3.807 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4cc(=O)[nH]cc43)c2)n1 ZINC001264603548 1047388084 /nfs/dbraw/zinc/38/80/84/1047388084.db2.gz DXUCEFHBZLUMPF-UHFFFAOYSA-N -1 3 386.411 3.918 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3coc4ccc(C(C)C)cc34)C2)n1 ZINC001303597151 1047443562 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USIWOUQASVVGDG-GDBMZVCRSA-N -1 3 376.497 3.578 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(-c3nc(C)cs3)c2)c([O-])c(OC)c1 ZINC001304505357 1047695757 /nfs/dbraw/zinc/69/57/57/1047695757.db2.gz NRPHNWURYZXSCE-UHFFFAOYSA-N -1 3 398.440 3.872 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC001463248988 1070939151 /nfs/dbraw/zinc/93/91/51/1070939151.db2.gz KVQOEXVINLTESV-UHFFFAOYSA-N -1 3 391.317 3.915 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304565962 1047715000 /nfs/dbraw/zinc/71/50/00/1047715000.db2.gz PTHGLLGFQMXTLY-LJQANCHMSA-N -1 3 393.443 3.871 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304565962 1047715006 /nfs/dbraw/zinc/71/50/06/1047715006.db2.gz PTHGLLGFQMXTLY-LJQANCHMSA-N -1 3 393.443 3.871 20 0 GHADHM Cc1ncsc1CN1CC[C@]2(C1)CCCN(C(=O)c1cccc([S-])c1)C2 ZINC001279197784 1047741401 /nfs/dbraw/zinc/74/14/01/1047741401.db2.gz AKRZWKPWZNSNPY-FQEVSTJZSA-N -1 3 387.574 3.869 20 0 GHADHM 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1054411410 /nfs/dbraw/zinc/41/14/10/1054411410.db2.gz KLRSNHDNCXRJNO-UHFFFAOYSA-N -1 3 381.520 3.959 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC001318119897 1054427187 /nfs/dbraw/zinc/42/71/87/1054427187.db2.gz VZBRYZLTKPMKCP-UHFFFAOYSA-N -1 3 390.443 3.623 20 0 GHADHM Cc1ccc(N2CC[C@@H]([N-]C(=O)C(F)(F)c3ccc(Cl)cc3)C2=O)cc1 ZINC001318735952 1054833990 /nfs/dbraw/zinc/83/39/90/1054833990.db2.gz OTOFYPHEDFOKSR-MRXNPFEDSA-N -1 3 378.806 3.662 20 0 GHADHM CCCc1sc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1CC ZINC001319206429 1055095456 /nfs/dbraw/zinc/09/54/56/1055095456.db2.gz QXKHDDZZTBTBHF-UHFFFAOYSA-N -1 3 398.525 3.704 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001319287585 1055156836 /nfs/dbraw/zinc/15/68/36/1055156836.db2.gz KMZOPCWZXXFRLL-LBPRGKRZSA-N -1 3 381.398 3.752 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc(OC)c1[O-] ZINC001320210217 1055708259 /nfs/dbraw/zinc/70/82/59/1055708259.db2.gz RJPPPUCAIOZWEO-VIFPVBQESA-N -1 3 385.338 3.641 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C=CC2(CCC2)O3)cc1 ZINC001353910586 1056121922 /nfs/dbraw/zinc/12/19/22/1056121922.db2.gz ULUKQWKHCOYFBT-UHFFFAOYSA-N -1 3 398.484 3.798 20 0 GHADHM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847896897 1056127653 /nfs/dbraw/zinc/12/76/53/1056127653.db2.gz PJRCVPGPFMUVFQ-NSHDSACASA-N -1 3 380.231 3.620 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)ccc1F ZINC001200551923 1056308650 /nfs/dbraw/zinc/30/86/50/1056308650.db2.gz QFUJQVRTIJFUPN-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)CCc3c(C)nc[n-]c3=O)c2)cc1 ZINC001321730729 1056378786 /nfs/dbraw/zinc/37/87/86/1056378786.db2.gz OSJUGRMVVJDUIH-UHFFFAOYSA-N -1 3 377.444 3.949 20 0 GHADHM CCOc1nc(C(=O)[N-]c2sc3c(c2C(=O)OC(C)C)CCCC3)co1 ZINC001354175553 1056395025 /nfs/dbraw/zinc/39/50/25/1056395025.db2.gz CYPUHGDMKSUFMN-UHFFFAOYSA-N -1 3 378.450 3.831 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(C(F)(F)F)nc1Cl ZINC000848140272 1056747991 /nfs/dbraw/zinc/74/79/91/1056747991.db2.gz NZJFJABSRLQPJP-ZETCQYMHSA-N -1 3 386.761 3.618 20 0 GHADHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001474886420 1056764700 /nfs/dbraw/zinc/76/47/00/1056764700.db2.gz KYLSXVSKVVDDTO-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1csc(-c2cccc(Cl)c2)n1 ZINC001325007647 1057262418 /nfs/dbraw/zinc/26/24/18/1057262418.db2.gz LMUMULRXWGJTTQ-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC=C(C(F)(F)F)CC1 ZINC001337871439 1058304506 /nfs/dbraw/zinc/30/45/06/1058304506.db2.gz UORWIKNZNMKBSA-UHFFFAOYSA-N -1 3 386.805 3.658 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3coc(-c4ccccc4)n3)nc21 ZINC001439994832 1058379665 /nfs/dbraw/zinc/37/96/65/1058379665.db2.gz BHFOMVGVJCPAAM-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM CC(C)[C@H](CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001440199286 1058460670 /nfs/dbraw/zinc/46/06/70/1058460670.db2.gz JEXDZDSBWIDTOR-PVAVHDDUSA-N -1 3 384.442 3.732 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1 ZINC001441015010 1058677424 /nfs/dbraw/zinc/67/74/24/1058677424.db2.gz NISYOZTUHBEHGY-UHFFFAOYSA-N -1 3 390.439 3.951 20 0 GHADHM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc2c(cc1[O-])CCCC2 ZINC001442463935 1058963845 /nfs/dbraw/zinc/96/38/45/1058963845.db2.gz AWIVBZATIIBMCP-UHFFFAOYSA-N -1 3 396.512 3.712 20 0 GHADHM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc([O-])cc(Br)c1 ZINC001442728216 1058999754 /nfs/dbraw/zinc/99/97/54/1058999754.db2.gz MYLHUDXYYPSEFI-UHFFFAOYSA-N -1 3 386.249 3.613 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001339549761 1059292985 /nfs/dbraw/zinc/29/29/85/1059292985.db2.gz PUBMGDLJVPKVCE-GFCCVEGCSA-N -1 3 396.476 3.652 20 0 GHADHM NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001444704841 1059366235 /nfs/dbraw/zinc/36/62/35/1059366235.db2.gz MKCCIMCXYIVYGC-UHFFFAOYSA-N -1 3 396.830 3.976 20 0 GHADHM CC1(C)C(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1(C)C ZINC001445397054 1059520932 /nfs/dbraw/zinc/52/09/32/1059520932.db2.gz CDZWKKZGPGERBO-UHFFFAOYSA-N -1 3 390.480 3.791 20 0 GHADHM O=C(Nc1cnn(-c2ccccc2F)c1)c1cc([O-])cc(Br)c1 ZINC001445521498 1059551732 /nfs/dbraw/zinc/55/17/32/1059551732.db2.gz AFQRBUKJLNEKKB-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CCSc1cccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001340209394 1059766223 /nfs/dbraw/zinc/76/62/23/1059766223.db2.gz KLXOMXRWCKRKMB-UHFFFAOYSA-N -1 3 397.497 3.631 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2ccc(OC)cc2[O-])c2ccccc2OC)cc1 ZINC001446512883 1059786327 /nfs/dbraw/zinc/78/63/27/1059786327.db2.gz CPEJHCVUHSZPLT-JOCHJYFZSA-N -1 3 393.439 3.937 20 0 GHADHM CCc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1[O-] ZINC001446630147 1059819789 /nfs/dbraw/zinc/81/97/89/1059819789.db2.gz OFNGSCFCKJTJMQ-UHFFFAOYSA-N -1 3 378.394 3.936 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cc(Cl)ccc1OC(F)F ZINC001447225214 1059938024 /nfs/dbraw/zinc/93/80/24/1059938024.db2.gz XEPPGGFYZIUNFW-QMMMGPOBSA-N -1 3 385.750 3.867 20 0 GHADHM CCCc1c(NC(=O)c2cc3c(cc2[O-])OCO3)cnn1-c1ccccc1C ZINC001447691237 1060000347 /nfs/dbraw/zinc/00/03/47/1060000347.db2.gz WPIGHQBVTHXITB-UHFFFAOYSA-N -1 3 379.416 3.820 20 0 GHADHM COC[C@H](C)n1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001448110635 1060107200 /nfs/dbraw/zinc/10/72/00/1060107200.db2.gz MASZRAVTVUXMBN-INIZCTEOSA-N -1 3 379.460 3.834 20 0 GHADHM CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001449079419 1060328460 /nfs/dbraw/zinc/32/84/60/1060328460.db2.gz UDWWUPIKBKXETK-CQSZACIVSA-N -1 3 380.510 3.587 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449200950 1060351180 /nfs/dbraw/zinc/35/11/80/1060351180.db2.gz WXRGRDBJWKYMDW-LTIDMASMSA-N -1 3 395.503 3.856 20 0 GHADHM CCc1cccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1[O-] ZINC001449401525 1060397980 /nfs/dbraw/zinc/39/79/80/1060397980.db2.gz BGWNUCOJPJUEOI-MRXNPFEDSA-N -1 3 375.266 3.993 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)c2ccc3oc(=S)[n-]c3c2)N(C)C)cc1 ZINC001450537017 1060612314 /nfs/dbraw/zinc/61/23/14/1060612314.db2.gz BPFZMYHGDBWGIY-SFHVURJKSA-N -1 3 399.516 3.936 20 0 GHADHM CCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](C)C(C)C ZINC001450704569 1060661395 /nfs/dbraw/zinc/66/13/95/1060661395.db2.gz XZRSVTKFJPANPD-LBPRGKRZSA-N -1 3 395.352 3.555 20 0 GHADHM CCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](C)C(C)C ZINC001450704561 1060661533 /nfs/dbraw/zinc/66/15/33/1060661533.db2.gz XZRSVTKFJPANPD-GFCCVEGCSA-N -1 3 395.352 3.555 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450916914 1060716782 /nfs/dbraw/zinc/71/67/82/1060716782.db2.gz HFBVBFUOWJPPTN-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450916914 1060716801 /nfs/dbraw/zinc/71/68/01/1060716801.db2.gz HFBVBFUOWJPPTN-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM COC(=O)c1cc(Br)cc(NC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC001451737607 1060826844 /nfs/dbraw/zinc/82/68/44/1060826844.db2.gz YDEUCUNQORFNOB-UHFFFAOYSA-N -1 3 396.212 3.570 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)[n-]1 ZINC001452520320 1060954844 /nfs/dbraw/zinc/95/48/44/1060954844.db2.gz SUZQSQBNMOTIOG-GOSISDBHSA-N -1 3 384.819 3.789 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC001452653287 1060980141 /nfs/dbraw/zinc/98/01/41/1060980141.db2.gz GSFURUSHZFBDOF-UHFFFAOYSA-N -1 3 389.398 3.884 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Oc3ncccc3C)cc2)n1 ZINC001452715987 1060993076 /nfs/dbraw/zinc/99/30/76/1060993076.db2.gz ZGCJGPKTSJYKLA-UHFFFAOYSA-N -1 3 378.432 3.651 20 0 GHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](CO)Cc1ccccc1 ZINC001453292079 1061104579 /nfs/dbraw/zinc/10/45/79/1061104579.db2.gz PSJMXFITQRAADG-JOCHJYFZSA-N -1 3 389.495 3.853 20 0 GHADHM COc1nsc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1Br ZINC001453799011 1061208087 /nfs/dbraw/zinc/20/80/87/1061208087.db2.gz GYWGDPQLOHTMCF-UHFFFAOYSA-N -1 3 385.283 3.673 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1n[nH]cc1Br ZINC001346304083 1061506448 /nfs/dbraw/zinc/50/64/48/1061506448.db2.gz WFKALEOVAFUQOP-UHFFFAOYSA-N -1 3 398.673 3.520 20 0 GHADHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)n1 ZINC000774989880 1061640506 /nfs/dbraw/zinc/64/05/06/1061640506.db2.gz VFDQSUIEUYSUHT-HNNXBMFYSA-N -1 3 394.450 3.662 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001454411598 1061772077 /nfs/dbraw/zinc/77/20/77/1061772077.db2.gz WYCSANKWGHQZDU-UGSOOPFHSA-N -1 3 376.859 3.825 20 0 GHADHM O=C(NCc1cccc2[nH]ccc21)c1c[n-]c2ccc(Br)cc2c1=O ZINC001455109487 1062009318 /nfs/dbraw/zinc/00/93/18/1062009318.db2.gz QIPOBADQBQFISD-UHFFFAOYSA-N -1 3 396.244 3.702 20 0 GHADHM COc1nnc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)[n-]1 ZINC001545818618 1062022569 /nfs/dbraw/zinc/02/25/69/1062022569.db2.gz KKIOGDZXKLHKFR-PTNGSMBKSA-N -1 3 386.358 3.594 20 0 GHADHM COc1nc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)n[n-]1 ZINC001545818618 1062022606 /nfs/dbraw/zinc/02/26/06/1062022606.db2.gz KKIOGDZXKLHKFR-PTNGSMBKSA-N -1 3 386.358 3.594 20 0 GHADHM COc1n[n-]c(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)n1 ZINC001545818618 1062022623 /nfs/dbraw/zinc/02/26/23/1062022623.db2.gz KKIOGDZXKLHKFR-PTNGSMBKSA-N -1 3 386.358 3.594 20 0 GHADHM C[C@H]1c2ccc(C(=O)Nc3cccc([O-])c3F)n2CCN1C(=O)OC(C)(C)C ZINC001545835872 1062032925 /nfs/dbraw/zinc/03/29/25/1062032925.db2.gz SDCDWUYTHJCPNC-LBPRGKRZSA-N -1 3 389.427 3.897 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2nc(C)c3ccccc3n2)cnc1Cl ZINC001434985741 1062184992 /nfs/dbraw/zinc/18/49/92/1062184992.db2.gz AFAOLXJYTMUQME-UHFFFAOYSA-N -1 3 376.794 3.703 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c1 ZINC001455561421 1062222299 /nfs/dbraw/zinc/22/22/99/1062222299.db2.gz YRLVQAOWTWCTEM-JKSUJKDBSA-N -1 3 377.506 3.554 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C2CC2)CCC1 ZINC001455668108 1062253691 /nfs/dbraw/zinc/25/36/91/1062253691.db2.gz RUPQYEOAVIKVFK-FQEVSTJZSA-N -1 3 378.472 3.702 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455672270 1062255128 /nfs/dbraw/zinc/25/51/28/1062255128.db2.gz ICQQEJAQFBVDJI-CYBMUJFWSA-N -1 3 393.409 3.964 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456382912 1062650813 /nfs/dbraw/zinc/65/08/13/1062650813.db2.gz JJOLSMFWMULKDL-QMMMGPOBSA-N -1 3 376.766 3.512 20 0 GHADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385813 1062653372 /nfs/dbraw/zinc/65/33/72/1062653372.db2.gz QJHYACOMUPIDLT-BDAKNGLRSA-N -1 3 388.777 3.563 20 0 GHADHM O=C(CCSc1ccccc1F)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456937581 1062924765 /nfs/dbraw/zinc/92/47/65/1062924765.db2.gz QQMJIVZHFMPGIO-HDJSIYSDSA-N -1 3 375.469 3.646 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1 ZINC001435897777 1062987064 /nfs/dbraw/zinc/98/70/64/1062987064.db2.gz VLNWVCLSSAWKRJ-UHFFFAOYSA-N -1 3 385.330 3.727 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cccc4c3O[C@@H](C)C4)n[n-]2)cc1 ZINC001457170369 1062997091 /nfs/dbraw/zinc/99/70/91/1062997091.db2.gz VAHDKZLYGAVTSD-ZDUSSCGKSA-N -1 3 380.473 3.981 20 0 GHADHM CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc([O-])ccc1Cl ZINC001457258421 1063061834 /nfs/dbraw/zinc/06/18/34/1063061834.db2.gz RFBLGJWXTQCTKA-UHFFFAOYSA-N -1 3 382.888 3.765 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)c(=O)c2c1 ZINC001457577887 1063261099 /nfs/dbraw/zinc/26/10/99/1063261099.db2.gz SGOUPHIKVRZKPB-HZPDHXFCSA-N -1 3 391.471 3.702 20 0 GHADHM CCC(CC)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC001457587047 1063265154 /nfs/dbraw/zinc/26/51/54/1063265154.db2.gz KUNORKOSAVGJSL-UHFFFAOYSA-N -1 3 384.863 3.711 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)nc2)c1 ZINC001436647993 1063592868 /nfs/dbraw/zinc/59/28/68/1063592868.db2.gz DMPGXFXTURFLDE-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)nc2)c1 ZINC001436647993 1063592890 /nfs/dbraw/zinc/59/28/90/1063592890.db2.gz DMPGXFXTURFLDE-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=c1cc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)nc(-c2ccccc2)[n-]1 ZINC001458746669 1063932057 /nfs/dbraw/zinc/93/20/57/1063932057.db2.gz JIIMJYSLKAJVDS-UHFFFAOYSA-N -1 3 399.237 3.914 20 0 GHADHM CN(Cc1cc(Br)cs1)Cc1nnc(-c2ccccc2[O-])o1 ZINC001459314469 1064059669 /nfs/dbraw/zinc/05/96/69/1064059669.db2.gz XPTGURHHKAKJFS-UHFFFAOYSA-N -1 3 380.267 3.898 20 0 GHADHM O=C([N-][C@@H](Cn1ccnc1)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC001438862240 1064126527 /nfs/dbraw/zinc/12/65/27/1064126527.db2.gz PVYQQJBKLBPPID-INIZCTEOSA-N -1 3 377.341 3.811 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]C(=O)C(F)(F)c1ccccc1 ZINC001459633885 1064150967 /nfs/dbraw/zinc/15/09/67/1064150967.db2.gz SHRXQYHSCHCACH-MRXNPFEDSA-N -1 3 381.806 3.722 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)s1 ZINC001351258862 1064332531 /nfs/dbraw/zinc/33/25/31/1064332531.db2.gz MXPXUJDNFVDBHF-UHFFFAOYSA-N -1 3 394.424 3.667 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001463458674 1064370109 /nfs/dbraw/zinc/37/01/09/1064370109.db2.gz JGIQPSMSDYQXIH-LSDHHAIUSA-N -1 3 380.535 3.682 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001463654456 1064529861 /nfs/dbraw/zinc/52/98/61/1064529861.db2.gz BTLHETZDLJIKRB-ZIAGYGMSSA-N -1 3 391.880 3.881 20 0 GHADHM CCC1([N-]S(=O)(=O)c2ccc(I)s2)CCCCC1 ZINC001463734845 1064578091 /nfs/dbraw/zinc/57/80/91/1064578091.db2.gz MDWBLNUOUOMEHU-UHFFFAOYSA-N -1 3 399.319 3.744 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c(F)c1 ZINC001463768880 1064600091 /nfs/dbraw/zinc/60/00/91/1064600091.db2.gz PLWDJNKJIFJLHH-UHFFFAOYSA-N -1 3 393.461 3.696 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C1CCCCCC1 ZINC001463974432 1064747609 /nfs/dbraw/zinc/74/76/09/1064747609.db2.gz LVBXOGFEVDIESM-CEXWTWQISA-N -1 3 397.512 3.503 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1)C1CCCCCC1 ZINC001463974438 1064747634 /nfs/dbraw/zinc/74/76/34/1064747634.db2.gz LVBXOGFEVDIESM-GBESFXJTSA-N -1 3 397.512 3.503 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464000930 1064763035 /nfs/dbraw/zinc/76/30/35/1064763035.db2.gz FETNJVOTYPHVLD-UHFFFAOYSA-N -1 3 398.287 4.000 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)c(F)c1 ZINC001464064657 1064796683 /nfs/dbraw/zinc/79/66/83/1064796683.db2.gz PPXYBXQSWFSRNY-QGZVFWFLSA-N -1 3 383.485 3.784 20 0 GHADHM O=C(Nc1ccccc1-n1cccn1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001464078130 1064803894 /nfs/dbraw/zinc/80/38/94/1064803894.db2.gz DYFZOGAKRCONLD-UHFFFAOYSA-N -1 3 386.411 3.810 20 0 GHADHM Nc1cc(Br)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001464139787 1064852186 /nfs/dbraw/zinc/85/21/86/1064852186.db2.gz AYUGXROLPMBFEO-UHFFFAOYSA-N -1 3 386.043 3.752 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCOC1 ZINC001464362551 1064971307 /nfs/dbraw/zinc/97/13/07/1064971307.db2.gz WJCGMDCKHXNECL-PWSUYJOCSA-N -1 3 396.734 3.586 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCOC1 ZINC001464362548 1064971335 /nfs/dbraw/zinc/97/13/35/1064971335.db2.gz WJCGMDCKHXNECL-CMPLNLGQSA-N -1 3 396.734 3.586 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccco1)CC(F)(F)F ZINC001464553295 1065078285 /nfs/dbraw/zinc/07/82/85/1065078285.db2.gz OPUKZUDFYXSLFR-UHFFFAOYSA-N -1 3 378.144 3.952 20 0 GHADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464562734 1065084030 /nfs/dbraw/zinc/08/40/30/1065084030.db2.gz RCXMPSMKXPQHJR-ZDUSSCGKSA-N -1 3 380.366 3.551 20 0 GHADHM COc1ccc(CCNC(=S)Nc2nc3c(cccc3[O-])s2)cc1OC ZINC001200067420 1065117154 /nfs/dbraw/zinc/11/71/54/1065117154.db2.gz SHHINZYJVBWSOH-UHFFFAOYSA-N -1 3 389.502 3.548 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1ccccc1 ZINC001464663082 1065144301 /nfs/dbraw/zinc/14/43/01/1065144301.db2.gz KXLMTSMOOABGEP-KRWDZBQOSA-N -1 3 381.538 3.959 20 0 GHADHM Cc1nc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)sc1C ZINC001464891200 1065261091 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20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)c1 ZINC001465421370 1065600563 /nfs/dbraw/zinc/60/05/63/1065600563.db2.gz QXBYVSICUGCNSU-LLVKDONJSA-N -1 3 399.394 3.873 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001465660796 1065776052 /nfs/dbraw/zinc/77/60/52/1065776052.db2.gz QLZDXUNTFSBQCF-UHFFFAOYSA-N -1 3 381.245 3.916 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cccc4ccccc43)cs2)no1 ZINC001353575209 1066053680 /nfs/dbraw/zinc/05/36/80/1066053680.db2.gz OUCIZYMHCUNJOD-UHFFFAOYSA-N -1 3 379.397 3.990 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(F)(F)F ZINC001466488409 1066170517 /nfs/dbraw/zinc/17/05/17/1066170517.db2.gz GUHAVIFKPUNJBZ-GFCCVEGCSA-N -1 3 376.325 3.903 20 0 GHADHM O=C([N-]c1nc2cc[nH]cc-2n1)c1c(F)c(F)c(Br)c(F)c1F ZINC001466613468 1066213312 /nfs/dbraw/zinc/21/33/12/1066213312.db2.gz FHOVHPFPFYRTLL-UHFFFAOYSA-N -1 3 389.106 3.529 20 0 GHADHM CC[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC001466633474 1066224509 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Cc1ccc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c([O-])c1 ZINC001469281250 1068079276 /nfs/dbraw/zinc/07/92/76/1068079276.db2.gz CUGZFNSDDYEXIX-UHFFFAOYSA-N -1 3 392.146 3.950 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[n-]n1 ZINC001469324647 1068103585 /nfs/dbraw/zinc/10/35/85/1068103585.db2.gz XZMFFFRJZUVLAL-UHFFFAOYSA-N -1 3 380.448 3.977 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n[n-]1 ZINC001469324647 1068103589 /nfs/dbraw/zinc/10/35/89/1068103589.db2.gz XZMFFFRJZUVLAL-UHFFFAOYSA-N -1 3 380.448 3.977 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)c2ccccc2)[n-]n1 ZINC001469326167 1068104499 /nfs/dbraw/zinc/10/44/99/1068104499.db2.gz DBEXZXLMOMPGKZ-UHFFFAOYSA-N -1 3 385.464 3.993 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)c2ccccc2)n[n-]1 ZINC001469326167 1068104503 /nfs/dbraw/zinc/10/45/03/1068104503.db2.gz DBEXZXLMOMPGKZ-UHFFFAOYSA-N -1 3 385.464 3.993 20 0 GHADHM CCOc1ccc(Br)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001359810403 1068200509 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O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)C1CCCCCCC1 ZINC001470796220 1072743612 /nfs/dbraw/zinc/74/36/12/1072743612.db2.gz ZXEDXECEBBVOBF-UHFFFAOYSA-N -1 3 378.274 3.928 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)C1CCCCCCC1 ZINC001470796220 1072743619 /nfs/dbraw/zinc/74/36/19/1072743619.db2.gz ZXEDXECEBBVOBF-UHFFFAOYSA-N -1 3 378.274 3.928 20 0 GHADHM CCC(C)(C)[C@@H](C)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001478963748 1079042022 /nfs/dbraw/zinc/04/20/22/1079042022.db2.gz ZPQIAXPSKUASMQ-OCCSQVGLSA-N -1 3 385.430 3.631 20 0 GHADHM COc1cc(C(=O)NCCc2c(OC)ccc3ccccc32)cc(OC)c1[O-] ZINC001471761616 1073212501 /nfs/dbraw/zinc/21/25/01/1073212501.db2.gz MOKALGBBMBSCEF-UHFFFAOYSA-N -1 3 381.428 3.544 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001471811308 1073224425 /nfs/dbraw/zinc/22/44/25/1073224425.db2.gz XNACCRHPKIYHHR-UHFFFAOYSA-N -1 3 396.834 3.830 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)[n-]n1 ZINC001472090413 1073330352 /nfs/dbraw/zinc/33/03/52/1073330352.db2.gz BOWLTBCYPFUVJX-UHFFFAOYSA-N -1 3 392.387 3.629 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)n[n-]1 ZINC001472090413 1073330358 /nfs/dbraw/zinc/33/03/58/1073330358.db2.gz BOWLTBCYPFUVJX-UHFFFAOYSA-N -1 3 392.387 3.629 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472109069 1073336341 /nfs/dbraw/zinc/33/63/41/1073336341.db2.gz GJPGCADFUIMZKV-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM COC(=O)c1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c([O-])c(OC)c1 ZINC001472228226 1073376532 /nfs/dbraw/zinc/37/65/32/1073376532.db2.gz JLNAOCZCZHVCBR-CYBMUJFWSA-N -1 3 397.349 3.862 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(-c2ccccc2)no1 ZINC001472241605 1073379968 /nfs/dbraw/zinc/37/99/68/1073379968.db2.gz TZQXZXDWPWRAOX-UHFFFAOYSA-N -1 3 388.383 3.674 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc2c(c1)CCCC2=O ZINC001472242167 1073381463 /nfs/dbraw/zinc/38/14/63/1073381463.db2.gz DMJHFYGXBZXSKO-UHFFFAOYSA-N -1 3 389.411 3.538 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc2c(c1)CCCC2=O ZINC001472242167 1073381464 /nfs/dbraw/zinc/38/14/64/1073381464.db2.gz DMJHFYGXBZXSKO-UHFFFAOYSA-N -1 3 389.411 3.538 20 0 GHADHM COc1ccc2cc(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)sc2c1 ZINC001472289044 1073401128 /nfs/dbraw/zinc/40/11/28/1073401128.db2.gz PQVQTTAWXZMVDW-MQMHXKEQSA-N -1 3 383.473 3.862 20 0 GHADHM C[C@@H](C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cn(C)c2ccccc12 ZINC001472289045 1073401333 /nfs/dbraw/zinc/40/13/33/1073401333.db2.gz PRFFLTRLLRAOPS-BZUAXINKSA-N -1 3 378.476 3.620 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c([O-])c1 ZINC001472488659 1073507757 /nfs/dbraw/zinc/50/77/57/1073507757.db2.gz SQMAZMYGCNAOQB-UHFFFAOYSA-N -1 3 379.460 3.746 20 0 GHADHM Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)c3c(C)cccc3[O-])c1-2 ZINC001472491272 1073510033 /nfs/dbraw/zinc/51/00/33/1073510033.db2.gz YOPJBNKFWVDDNW-UHFFFAOYSA-N -1 3 379.395 3.522 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cccc4ncccc34)[n-]c(=O)c12 ZINC001472981028 1073740570 /nfs/dbraw/zinc/74/05/70/1073740570.db2.gz PICDGKVKADQLDP-UHFFFAOYSA-N -1 3 392.440 3.666 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC001473668267 1074075325 /nfs/dbraw/zinc/07/53/25/1074075325.db2.gz ZJGDAEHWNRQOID-OAHLLOKOSA-N -1 3 394.338 3.874 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc([O-])c(F)c2F)C1=O ZINC001474542734 1074456465 /nfs/dbraw/zinc/45/64/65/1074456465.db2.gz UPIKJMGWLWUBJV-MLGOLLRUSA-N -1 3 378.394 3.651 20 0 GHADHM COc1cc2ccccc2cc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001474602709 1074479665 /nfs/dbraw/zinc/47/96/65/1074479665.db2.gz AQZZKJBXJZQMOU-GUYCJALGSA-N -1 3 380.410 3.880 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3cc(-n4ccnc4)cs3)CC2)cc1Cl ZINC001474673893 1074509187 /nfs/dbraw/zinc/50/91/87/1074509187.db2.gz SBEKUHHGVKZOHK-UHFFFAOYSA-N -1 3 388.924 3.611 20 0 GHADHM CCOc1cc(CN2CCn3nc(C(F)(F)F)cc3C2)cc(Cl)c1[O-] ZINC001474733516 1074538711 /nfs/dbraw/zinc/53/87/11/1074538711.db2.gz DPPGKRGWDSPEBO-UHFFFAOYSA-N -1 3 375.778 3.675 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)N1CCc2ccccc21 ZINC001474905107 1074624753 /nfs/dbraw/zinc/62/47/53/1074624753.db2.gz SCNSMRAMAHCSNU-OAHLLOKOSA-N -1 3 399.541 3.540 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1ccc(C(F)(F)F)nc1Cl ZINC001474967518 1074657694 /nfs/dbraw/zinc/65/76/94/1074657694.db2.gz OSXGEVYIMAHKHZ-LLVKDONJSA-N -1 3 390.814 3.762 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC001474980086 1074665303 /nfs/dbraw/zinc/66/53/03/1074665303.db2.gz BBNROPSDWYXYIO-QWHCGFSZSA-N -1 3 386.336 3.729 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1Cl ZINC001475013352 1074683417 /nfs/dbraw/zinc/68/34/17/1074683417.db2.gz UZZYOWDLORXENA-KRWDZBQOSA-N -1 3 394.905 3.873 20 0 GHADHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001475076411 1074726109 /nfs/dbraw/zinc/72/61/09/1074726109.db2.gz VPFNZJYFISVNAQ-UHFFFAOYSA-N -1 3 386.286 3.726 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@H]2C)c1 ZINC001475173965 1074768857 /nfs/dbraw/zinc/76/88/57/1074768857.db2.gz JPRHJUYLNULDTN-PXAZEXFGSA-N -1 3 379.503 3.527 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1csc(-c2ccccc2)n1 ZINC001475195563 1074779572 /nfs/dbraw/zinc/77/95/72/1074779572.db2.gz NDCJIHYYVIWKRP-INIZCTEOSA-N -1 3 392.546 3.970 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1cc(Br)ccc1Cl ZINC001475252385 1074805487 /nfs/dbraw/zinc/80/54/87/1074805487.db2.gz RJUGZYZWSDHCFC-TZMCWYRMSA-N -1 3 386.698 3.937 20 0 GHADHM CCOC1(C[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)CCCC1 ZINC001475333018 1074837624 /nfs/dbraw/zinc/83/76/24/1074837624.db2.gz NVLOFEPLJPHCPT-UHFFFAOYSA-N -1 3 380.535 3.746 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001475346188 1074842404 /nfs/dbraw/zinc/84/24/04/1074842404.db2.gz FDIZCCIPAADCAL-VXGBXAGGSA-N -1 3 393.958 3.991 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001475356877 1074845977 /nfs/dbraw/zinc/84/59/77/1074845977.db2.gz FJNBVBLSLPGATI-XTZNXHDOSA-N -1 3 392.839 3.828 20 0 GHADHM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001475371179 1074852248 /nfs/dbraw/zinc/85/22/48/1074852248.db2.gz UVASYOKSEYLCRA-JTQLQIEISA-N -1 3 375.277 3.745 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@@H]1CCCCO1 ZINC001475440578 1074876310 /nfs/dbraw/zinc/87/63/10/1074876310.db2.gz LPWPIMHKFQQPJQ-KBPBESRZSA-N -1 3 394.306 3.523 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CCCCCC1 ZINC001475441880 1074876651 /nfs/dbraw/zinc/87/66/51/1074876651.db2.gz PZKZFIQFZMUZRI-FQEVSTJZSA-N -1 3 391.533 3.795 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)s1 ZINC001475556606 1074913876 /nfs/dbraw/zinc/91/38/76/1074913876.db2.gz DCHBHIXEQXDEBR-AWEZNQCLSA-N -1 3 381.910 3.942 20 0 GHADHM CC(F)(F)CCS(=O)(=O)[N-]CC(=O)c1sc2ccccc2c1Cl ZINC001475621572 1074929131 /nfs/dbraw/zinc/92/91/31/1074929131.db2.gz MKUSTBRQWVMTQQ-UHFFFAOYSA-N -1 3 381.853 3.702 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC(C)(C)OC2(C)C)sc1Br ZINC001475720522 1075007976 /nfs/dbraw/zinc/00/79/76/1075007976.db2.gz ZOIBOUXGQQXELC-JTQLQIEISA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCSC(C)(C)C2)c(F)cc1Br ZINC001475728074 1075010163 /nfs/dbraw/zinc/01/01/63/1075010163.db2.gz OTGIZURWOJYWQX-JTQLQIEISA-N -1 3 396.347 3.849 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)S2 ZINC001475742335 1075012859 /nfs/dbraw/zinc/01/28/59/1075012859.db2.gz LLMZFEKXRLTTMG-PBINXNQUSA-N -1 3 382.370 3.524 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CCC3(CC2)OCCO3)c1Cl ZINC001475776242 1075018987 /nfs/dbraw/zinc/01/89/87/1075018987.db2.gz KWPCENXVPCWPET-UHFFFAOYSA-N -1 3 394.320 3.656 20 0 GHADHM Cc1occc1C(=O)NC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001546255026 1079482135 /nfs/dbraw/zinc/48/21/35/1079482135.db2.gz YTADIQCYUTVDJT-UHFFFAOYSA-N -1 3 384.457 3.543 20 0 GHADHM CCCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000021874640 207240516 /nfs/dbraw/zinc/24/05/16/207240516.db2.gz OQCCEGRWPNCSMS-UHFFFAOYSA-N -1 3 384.860 3.810 20 0 GHADHM O=C(Nc1ccccn1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000021893999 207241647 /nfs/dbraw/zinc/24/16/47/207241647.db2.gz SFQYBUPJBLBKGA-UHFFFAOYSA-N -1 3 387.848 3.788 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735735621 598825044 /nfs/dbraw/zinc/82/50/44/598825044.db2.gz OJNZVKFBEDKOCC-LJQANCHMSA-N -1 3 398.898 3.788 20 0 GHADHM CC(C)CCO[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735820452 598833376 /nfs/dbraw/zinc/83/33/76/598833376.db2.gz SFJHGMNJVOMUKX-AWEZNQCLSA-N -1 3 399.520 3.663 20 0 GHADHM O=C(C=Cc1cccs1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737810305 598834464 /nfs/dbraw/zinc/83/44/64/598834464.db2.gz YTBBTGUBOOUURR-RMKNXTFCSA-N -1 3 393.497 3.986 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737335725 598839169 /nfs/dbraw/zinc/83/91/69/598839169.db2.gz VVLAHFMRTJBZFQ-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737335725 598839170 /nfs/dbraw/zinc/83/91/70/598839170.db2.gz VVLAHFMRTJBZFQ-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(COC(C)C)c1 ZINC000736634157 598850486 /nfs/dbraw/zinc/85/04/86/598850486.db2.gz JHDGXQIHGWLLKH-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(COC(C)C)c1 ZINC000736634157 598850487 /nfs/dbraw/zinc/85/04/87/598850487.db2.gz JHDGXQIHGWLLKH-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737336508 598853045 /nfs/dbraw/zinc/85/30/45/598853045.db2.gz ZDUBOJJRIOBAOR-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737336508 598853047 /nfs/dbraw/zinc/85/30/47/598853047.db2.gz ZDUBOJJRIOBAOR-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM c1ccc(Cc2noc(-c3ccc(Oc4ccc(-c5nnn[n-]5)cn4)cc3)n2)cc1 ZINC000738432063 598859091 /nfs/dbraw/zinc/85/90/91/598859091.db2.gz AGGSFUYEUGPYSA-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM c1ccc(Cc2noc(-c3ccc(Oc4ccc(-c5nn[n-]n5)cn4)cc3)n2)cc1 ZINC000738432063 598859092 /nfs/dbraw/zinc/85/90/92/598859092.db2.gz AGGSFUYEUGPYSA-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM Cc1noc(C)c1[C@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737275443 598870039 /nfs/dbraw/zinc/87/00/39/598870039.db2.gz VJLGOCJRPHSAMI-NSHDSACASA-N -1 3 388.435 3.754 20 0 GHADHM Cc1noc(C)c1[C@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737275443 598870040 /nfs/dbraw/zinc/87/00/40/598870040.db2.gz VJLGOCJRPHSAMI-NSHDSACASA-N -1 3 388.435 3.754 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)Nc3ncccc3-c3nnn[n-]3)s2)cc1 ZINC000737058381 598871697 /nfs/dbraw/zinc/87/16/97/598871697.db2.gz WPDVGJRKTACZAN-NSHDSACASA-N -1 3 393.476 3.875 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)Nc3ncccc3-c3nn[n-]n3)s2)cc1 ZINC000737058381 598871698 /nfs/dbraw/zinc/87/16/98/598871698.db2.gz WPDVGJRKTACZAN-NSHDSACASA-N -1 3 393.476 3.875 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735665114 598876482 /nfs/dbraw/zinc/87/64/82/598876482.db2.gz SAJWSEJLTJJQRT-UHFFFAOYSA-N -1 3 392.507 3.715 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735665114 598876484 /nfs/dbraw/zinc/87/64/84/598876484.db2.gz SAJWSEJLTJJQRT-UHFFFAOYSA-N -1 3 392.507 3.715 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895427 598878289 /nfs/dbraw/zinc/87/82/89/598878289.db2.gz JFWKSNZKTLINFW-MGPUTAFESA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895427 598878291 /nfs/dbraw/zinc/87/82/91/598878291.db2.gz JFWKSNZKTLINFW-MGPUTAFESA-N -1 3 393.491 3.630 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000736038313 598887700 /nfs/dbraw/zinc/88/77/00/598887700.db2.gz UCFZNZPRCAHHKG-XBFCOCLRSA-N -1 3 398.385 3.546 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000736038313 598887702 /nfs/dbraw/zinc/88/77/02/598887702.db2.gz UCFZNZPRCAHHKG-XBFCOCLRSA-N -1 3 398.385 3.546 20 0 GHADHM O=C(NCc1cccs1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738112705 598889407 /nfs/dbraw/zinc/88/94/07/598889407.db2.gz QXTAHCSGBDHUIA-UHFFFAOYSA-N -1 3 396.501 3.656 20 0 GHADHM CC(C)CCN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735804115 598889786 /nfs/dbraw/zinc/88/97/86/598889786.db2.gz OMUOHVABOHQFEM-UHFFFAOYSA-N -1 3 384.509 3.783 20 0 GHADHM FC(F)(F)COCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737627963 598902144 /nfs/dbraw/zinc/90/21/44/598902144.db2.gz SDMOTJDFBNRZBT-UHFFFAOYSA-N -1 3 395.410 3.990 20 0 GHADHM FC(F)(F)COCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737627963 598902146 /nfs/dbraw/zinc/90/21/46/598902146.db2.gz SDMOTJDFBNRZBT-UHFFFAOYSA-N -1 3 395.410 3.990 20 0 GHADHM C[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736264543 598906566 /nfs/dbraw/zinc/90/65/66/598906566.db2.gz FRPWDRSUJBYEKB-ZDUSSCGKSA-N -1 3 382.493 3.537 20 0 GHADHM Clc1ccc(-c2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)o2)cc1 ZINC000737571079 598937058 /nfs/dbraw/zinc/93/70/58/598937058.db2.gz QQXMPNOMRHZUHC-UHFFFAOYSA-N -1 3 392.231 3.770 20 0 GHADHM Clc1ccc(-c2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)o2)cc1 ZINC000737571079 598937060 /nfs/dbraw/zinc/93/70/60/598937060.db2.gz QQXMPNOMRHZUHC-UHFFFAOYSA-N -1 3 392.231 3.770 20 0 GHADHM Clc1ccccc1C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737583419 598939404 /nfs/dbraw/zinc/93/94/04/598939404.db2.gz KOVSGZORWPOLSC-CYBMUJFWSA-N -1 3 375.263 3.780 20 0 GHADHM Clc1ccccc1C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737583419 598939406 /nfs/dbraw/zinc/93/94/06/598939406.db2.gz KOVSGZORWPOLSC-CYBMUJFWSA-N -1 3 375.263 3.780 20 0 GHADHM Cc1nc(-c2ccc(CNc3ncc(-c4nnn[n-]4)cc3Cl)cc2)cs1 ZINC000737462927 598940461 /nfs/dbraw/zinc/94/04/61/598940461.db2.gz AVCQKLONOOYPDX-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM Cc1nc(-c2ccc(CNc3ncc(-c4nn[n-]n4)cc3Cl)cc2)cs1 ZINC000737462927 598940463 /nfs/dbraw/zinc/94/04/63/598940463.db2.gz AVCQKLONOOYPDX-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nc2ccccc2n1C1CCCC1 ZINC000737956476 598946464 /nfs/dbraw/zinc/94/64/64/598946464.db2.gz ZXJRHUHFHPSQHH-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nc2ccccc2n1C1CCCC1 ZINC000737956476 598946468 /nfs/dbraw/zinc/94/64/68/598946468.db2.gz ZXJRHUHFHPSQHH-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM c1ccc(-c2noc(-c3cccc(COc4ccccc4-c4nnn[n-]4)c3)n2)nc1 ZINC000738424997 598969184 /nfs/dbraw/zinc/96/91/84/598969184.db2.gz JIFPGPQVBRZKPT-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2noc(-c3cccc(COc4ccccc4-c4nn[n-]n4)c3)n2)nc1 ZINC000738424997 598969186 /nfs/dbraw/zinc/96/91/86/598969186.db2.gz JIFPGPQVBRZKPT-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccccc1Cl ZINC000738381574 598974384 /nfs/dbraw/zinc/97/43/84/598974384.db2.gz IGPUTJRPQNWLKM-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736248544 598987768 /nfs/dbraw/zinc/98/77/68/598987768.db2.gz JCPBTLMWBMBNRT-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736248544 598987769 /nfs/dbraw/zinc/98/77/69/598987769.db2.gz JCPBTLMWBMBNRT-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCCC1 ZINC000736507172 598989396 /nfs/dbraw/zinc/98/93/96/598989396.db2.gz BHLRFBLCJSBRON-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCCC1 ZINC000736507172 598989398 /nfs/dbraw/zinc/98/93/98/598989398.db2.gz BHLRFBLCJSBRON-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736232434 599008466 /nfs/dbraw/zinc/00/84/66/599008466.db2.gz DFVCULOOSFOKDP-HNAYVOBHSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736232434 599008468 /nfs/dbraw/zinc/00/84/68/599008468.db2.gz DFVCULOOSFOKDP-HNAYVOBHSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736222341 599018089 /nfs/dbraw/zinc/01/80/89/599018089.db2.gz CJSVSELKABMHRT-IYBDPMFKSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736198809 599040654 /nfs/dbraw/zinc/04/06/54/599040654.db2.gz KVLCBEZVLSRNDZ-MRVPVSSYSA-N -1 3 384.312 3.756 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736198809 599040657 /nfs/dbraw/zinc/04/06/57/599040657.db2.gz KVLCBEZVLSRNDZ-MRVPVSSYSA-N -1 3 384.312 3.756 20 0 GHADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1OC ZINC000736369873 599043380 /nfs/dbraw/zinc/04/33/80/599043380.db2.gz OCMVGFHQRJZUTQ-GFCCVEGCSA-N -1 3 378.358 3.852 20 0 GHADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1OC ZINC000736369873 599043383 /nfs/dbraw/zinc/04/33/83/599043383.db2.gz OCMVGFHQRJZUTQ-GFCCVEGCSA-N -1 3 378.358 3.852 20 0 GHADHM Fc1cccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737664822 599048080 /nfs/dbraw/zinc/04/80/80/599048080.db2.gz DWBRVBFYZSLPCL-ZDUSSCGKSA-N -1 3 378.333 3.761 20 0 GHADHM Fc1cccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737664822 599048081 /nfs/dbraw/zinc/04/80/81/599048081.db2.gz DWBRVBFYZSLPCL-ZDUSSCGKSA-N -1 3 378.333 3.761 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736695281 599051794 /nfs/dbraw/zinc/05/17/94/599051794.db2.gz KGFFTUOENDDCDC-ZDUSSCGKSA-N -1 3 390.369 3.779 20 0 GHADHM CCc1cccc2c1OCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736695281 599051796 /nfs/dbraw/zinc/05/17/96/599051796.db2.gz KGFFTUOENDDCDC-ZDUSSCGKSA-N -1 3 390.369 3.779 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819940225 599051822 /nfs/dbraw/zinc/05/18/22/599051822.db2.gz SUDOEKYKKFKFOR-UKRRQHHQSA-N -1 3 390.463 3.501 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736153286 599055656 /nfs/dbraw/zinc/05/56/56/599055656.db2.gz XNRMGHTVRQVRKS-CQSZACIVSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736153286 599055659 /nfs/dbraw/zinc/05/56/59/599055659.db2.gz XNRMGHTVRQVRKS-CQSZACIVSA-N -1 3 389.415 3.759 20 0 GHADHM NC(=O)[C@@H](Nc1ccc(SC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737114 599090300 /nfs/dbraw/zinc/09/03/00/599090300.db2.gz OFXBMKVCNGPNAG-SFHVURJKSA-N -1 3 394.504 3.540 20 0 GHADHM NC(=O)[C@@H](Nc1ccc(SC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737114 599090303 /nfs/dbraw/zinc/09/03/03/599090303.db2.gz OFXBMKVCNGPNAG-SFHVURJKSA-N -1 3 394.504 3.540 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737833494 599096004 /nfs/dbraw/zinc/09/60/04/599096004.db2.gz UJSZDFBANQPNMT-MOPGFXCFSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737833494 599096006 /nfs/dbraw/zinc/09/60/06/599096006.db2.gz UJSZDFBANQPNMT-MOPGFXCFSA-N -1 3 383.496 3.501 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C)C ZINC000737434587 599102413 /nfs/dbraw/zinc/10/24/13/599102413.db2.gz LAXHZJCDDSXVSC-INIZCTEOSA-N -1 3 396.499 3.645 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(C)C ZINC000737434587 599102416 /nfs/dbraw/zinc/10/24/16/599102416.db2.gz LAXHZJCDDSXVSC-INIZCTEOSA-N -1 3 396.499 3.645 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822233087 599108322 /nfs/dbraw/zinc/10/83/22/599108322.db2.gz HSCFHKCMRUFUDD-YOEHRIQHSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822233087 599108325 /nfs/dbraw/zinc/10/83/25/599108325.db2.gz HSCFHKCMRUFUDD-YOEHRIQHSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000822233511 599108650 /nfs/dbraw/zinc/10/86/50/599108650.db2.gz QLKGVGNOTSRYDH-IEBWSBKVSA-N -1 3 378.480 3.767 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000822233511 599108651 /nfs/dbraw/zinc/10/86/51/599108651.db2.gz QLKGVGNOTSRYDH-IEBWSBKVSA-N -1 3 378.480 3.767 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1OC(F)F ZINC000736191952 599109240 /nfs/dbraw/zinc/10/92/40/599109240.db2.gz KAIQOPRPJGLIRR-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1OC(F)F ZINC000736191952 599109241 /nfs/dbraw/zinc/10/92/41/599109241.db2.gz KAIQOPRPJGLIRR-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM CCCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821072577 599127172 /nfs/dbraw/zinc/12/71/72/599127172.db2.gz UCZFXIPVZDEINM-CYBMUJFWSA-N -1 3 383.477 3.753 20 0 GHADHM CCCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821072577 599127174 /nfs/dbraw/zinc/12/71/74/599127174.db2.gz UCZFXIPVZDEINM-CYBMUJFWSA-N -1 3 383.477 3.753 20 0 GHADHM C/C(=C\C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)(C)C ZINC000819763691 599141180 /nfs/dbraw/zinc/14/11/80/599141180.db2.gz AGZMUZABHBYYJY-FMIVXFBMSA-N -1 3 382.493 3.845 20 0 GHADHM C/C(=C\C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)(C)C ZINC000819763691 599141183 /nfs/dbraw/zinc/14/11/83/599141183.db2.gz AGZMUZABHBYYJY-FMIVXFBMSA-N -1 3 382.493 3.845 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)[C@H](C)c1cccnc1 ZINC000736505786 599145333 /nfs/dbraw/zinc/14/53/33/599145333.db2.gz NDOIZWXFSAZMPH-CQSZACIVSA-N -1 3 395.467 3.664 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081709 599146409 /nfs/dbraw/zinc/14/64/09/599146409.db2.gz RUYGDHNIMPVPIK-QGZVFWFLSA-N -1 3 399.545 3.948 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1SCCc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081709 599146411 /nfs/dbraw/zinc/14/64/11/599146411.db2.gz RUYGDHNIMPVPIK-QGZVFWFLSA-N -1 3 399.545 3.948 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822950562 599151674 /nfs/dbraw/zinc/15/16/74/599151674.db2.gz SVDDSXVMXGYNBC-UHFFFAOYSA-N -1 3 391.353 3.727 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822950562 599151676 /nfs/dbraw/zinc/15/16/76/599151676.db2.gz SVDDSXVMXGYNBC-UHFFFAOYSA-N -1 3 391.353 3.727 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1-c1nnn[n-]1 ZINC000737084757 599154065 /nfs/dbraw/zinc/15/40/65/599154065.db2.gz VIJZPUOEBLLJFK-ZROIWOOFSA-N -1 3 394.822 3.569 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1-c1nn[n-]n1 ZINC000737084757 599154067 /nfs/dbraw/zinc/15/40/67/599154067.db2.gz VIJZPUOEBLLJFK-ZROIWOOFSA-N -1 3 394.822 3.569 20 0 GHADHM Brc1cccc(-c2cnc(COc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000735368521 599156860 /nfs/dbraw/zinc/15/68/60/599156860.db2.gz MZPPWKDSFMVSPQ-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1cccc(-c2cnc(COc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000735368521 599156861 /nfs/dbraw/zinc/15/68/61/599156861.db2.gz MZPPWKDSFMVSPQ-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(F)c1 ZINC000735975668 599159455 /nfs/dbraw/zinc/15/94/55/599159455.db2.gz NRNVTTOKWYEPNG-SNVBAGLBSA-N -1 3 391.353 3.740 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(F)c1 ZINC000735975668 599159457 /nfs/dbraw/zinc/15/94/57/599159457.db2.gz NRNVTTOKWYEPNG-SNVBAGLBSA-N -1 3 391.353 3.740 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737025798 599160639 /nfs/dbraw/zinc/16/06/39/599160639.db2.gz NKGUPQZUUROERI-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737025798 599160640 /nfs/dbraw/zinc/16/06/40/599160640.db2.gz NKGUPQZUUROERI-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737422023 599169601 /nfs/dbraw/zinc/16/96/01/599169601.db2.gz ODAWJATXOCQGNT-QWHCGFSZSA-N -1 3 385.468 3.672 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737422023 599169602 /nfs/dbraw/zinc/16/96/02/599169602.db2.gz ODAWJATXOCQGNT-QWHCGFSZSA-N -1 3 385.468 3.672 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCCCCC1 ZINC000735735664 599170376 /nfs/dbraw/zinc/17/03/76/599170376.db2.gz PRLLLKKHXMRXER-KRWDZBQOSA-N -1 3 391.516 3.962 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCCCCC1 ZINC000735735664 599170378 /nfs/dbraw/zinc/17/03/78/599170378.db2.gz PRLLLKKHXMRXER-KRWDZBQOSA-N -1 3 391.516 3.962 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000736194181 599171005 /nfs/dbraw/zinc/17/10/05/599171005.db2.gz XFVUIXSMKLAUMF-LLVKDONJSA-N -1 3 382.424 3.833 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000736194181 599171007 /nfs/dbraw/zinc/17/10/07/599171007.db2.gz XFVUIXSMKLAUMF-LLVKDONJSA-N -1 3 382.424 3.833 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000823233342 599177066 /nfs/dbraw/zinc/17/70/66/599177066.db2.gz GHGXVRNOSYXTKZ-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000823233342 599177067 /nfs/dbraw/zinc/17/70/67/599177067.db2.gz GHGXVRNOSYXTKZ-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819958109 599177888 /nfs/dbraw/zinc/17/78/88/599177888.db2.gz IJERJKAVKMXHAQ-UHFFFAOYSA-N -1 3 381.455 3.552 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819958109 599177889 /nfs/dbraw/zinc/17/78/89/599177889.db2.gz IJERJKAVKMXHAQ-UHFFFAOYSA-N -1 3 381.455 3.552 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735512616 599181939 /nfs/dbraw/zinc/18/19/39/599181939.db2.gz HVDOERDUKAIFCY-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735512616 599181942 /nfs/dbraw/zinc/18/19/42/599181942.db2.gz HVDOERDUKAIFCY-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666535 599190444 /nfs/dbraw/zinc/19/04/44/599190444.db2.gz IIXIRDUBBSXSRB-ACJLOTCBSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666535 599190447 /nfs/dbraw/zinc/19/04/47/599190447.db2.gz IIXIRDUBBSXSRB-ACJLOTCBSA-N -1 3 397.479 3.708 20 0 GHADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735671830 599196703 /nfs/dbraw/zinc/19/67/03/599196703.db2.gz MQJQBYCBIGDEIB-UHFFFAOYSA-N -1 3 385.493 3.529 20 0 GHADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735671830 599196704 /nfs/dbraw/zinc/19/67/04/599196704.db2.gz MQJQBYCBIGDEIB-UHFFFAOYSA-N -1 3 385.493 3.529 20 0 GHADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819965615 599194721 /nfs/dbraw/zinc/19/47/21/599194721.db2.gz JXCMTTVOVISPLB-OAHLLOKOSA-N -1 3 396.520 3.988 20 0 GHADHM CC(C)(C)c1csc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819965615 599194723 /nfs/dbraw/zinc/19/47/23/599194723.db2.gz JXCMTTVOVISPLB-OAHLLOKOSA-N -1 3 396.520 3.988 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)ccc2N2CCCC2)c1-c1nnn[n-]1 ZINC000736676248 599194814 /nfs/dbraw/zinc/19/48/14/599194814.db2.gz PQSHCBGGMLEJEI-UHFFFAOYSA-N -1 3 396.520 3.960 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)ccc2N2CCCC2)c1-c1nn[n-]n1 ZINC000736676248 599194815 /nfs/dbraw/zinc/19/48/15/599194815.db2.gz PQSHCBGGMLEJEI-UHFFFAOYSA-N -1 3 396.520 3.960 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000822927788 599200401 /nfs/dbraw/zinc/20/04/01/599200401.db2.gz AJMYRWDZBDIJCX-OFAQMXQXSA-N -1 3 391.500 3.521 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000822927788 599200403 /nfs/dbraw/zinc/20/04/03/599200403.db2.gz AJMYRWDZBDIJCX-OFAQMXQXSA-N -1 3 391.500 3.521 20 0 GHADHM CCCCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736461618 599209565 /nfs/dbraw/zinc/20/95/65/599209565.db2.gz XHTFNMURIAXWTM-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM CCCCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736461618 599209569 /nfs/dbraw/zinc/20/95/69/599209569.db2.gz XHTFNMURIAXWTM-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM COc1cc(COC(=O)C(C)(C)C)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737047647 599215464 /nfs/dbraw/zinc/21/54/64/599215464.db2.gz OGLYVIKVCAYHTQ-UHFFFAOYSA-N -1 3 396.447 3.544 20 0 GHADHM COc1cc(COC(=O)C(C)(C)C)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737047647 599215468 /nfs/dbraw/zinc/21/54/68/599215468.db2.gz OGLYVIKVCAYHTQ-UHFFFAOYSA-N -1 3 396.447 3.544 20 0 GHADHM C[C@H](OCC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820519291 599220106 /nfs/dbraw/zinc/22/01/06/599220106.db2.gz QVSJWRXKVLRAOI-LBPRGKRZSA-N -1 3 397.410 3.552 20 0 GHADHM C[C@H](OCC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820519291 599220108 /nfs/dbraw/zinc/22/01/08/599220108.db2.gz QVSJWRXKVLRAOI-LBPRGKRZSA-N -1 3 397.410 3.552 20 0 GHADHM CCO[C@@H](CC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821350900 599220934 /nfs/dbraw/zinc/22/09/34/599220934.db2.gz GFHXHDCCHQFKCV-HNNXBMFYSA-N -1 3 385.399 3.552 20 0 GHADHM CCO[C@@H](CC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821350900 599220935 /nfs/dbraw/zinc/22/09/35/599220935.db2.gz GFHXHDCCHQFKCV-HNNXBMFYSA-N -1 3 385.399 3.552 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823358538 607260907 /nfs/dbraw/zinc/26/09/07/607260907.db2.gz AAQDHKZCSXLFFH-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823358538 607260908 /nfs/dbraw/zinc/26/09/08/607260908.db2.gz AAQDHKZCSXLFFH-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM CCCCNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821071523 599230100 /nfs/dbraw/zinc/23/01/00/599230100.db2.gz HHAZCAHKFPVUEO-UHFFFAOYSA-N -1 3 386.456 3.885 20 0 GHADHM CCCCNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821071523 599230102 /nfs/dbraw/zinc/23/01/02/599230102.db2.gz HHAZCAHKFPVUEO-UHFFFAOYSA-N -1 3 386.456 3.885 20 0 GHADHM c1coc(-c2c3c(nc(SCCOCC4CC4)c2-c2nnn[n-]2)CCC3)c1 ZINC000823816780 599232097 /nfs/dbraw/zinc/23/20/97/599232097.db2.gz XXUUBGWCQUCGHR-UHFFFAOYSA-N -1 3 383.477 3.529 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(OCC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822102856 607287706 /nfs/dbraw/zinc/28/77/06/607287706.db2.gz DSQQCCCICZOTRI-UHFFFAOYSA-N -1 3 380.452 3.532 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(OCC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822102856 607287707 /nfs/dbraw/zinc/28/77/07/607287707.db2.gz DSQQCCCICZOTRI-UHFFFAOYSA-N -1 3 380.452 3.532 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](C(F)(F)F)C1 ZINC000737262466 599255596 /nfs/dbraw/zinc/25/55/96/599255596.db2.gz GZHCVIPMUNOWCS-JTQLQIEISA-N -1 3 380.349 3.641 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](C(F)(F)F)C1 ZINC000737262466 599255597 /nfs/dbraw/zinc/25/55/97/599255597.db2.gz GZHCVIPMUNOWCS-JTQLQIEISA-N -1 3 380.349 3.641 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339240 599256261 /nfs/dbraw/zinc/25/62/61/599256261.db2.gz AJQXDEKAFUJIEU-FTRWYGJKSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339240 599256264 /nfs/dbraw/zinc/25/62/64/599256264.db2.gz AJQXDEKAFUJIEU-FTRWYGJKSA-N -1 3 390.491 3.763 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821849958 607284442 /nfs/dbraw/zinc/28/44/42/607284442.db2.gz UGKLZPZXWZRGSB-IBGZPJMESA-N -1 3 392.463 3.725 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821849958 607284443 /nfs/dbraw/zinc/28/44/43/607284443.db2.gz UGKLZPZXWZRGSB-IBGZPJMESA-N -1 3 392.463 3.725 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822084983 607286419 /nfs/dbraw/zinc/28/64/19/607286419.db2.gz UVFKZULCBIGAPR-IUODEOHRSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822084983 607286420 /nfs/dbraw/zinc/28/64/20/607286420.db2.gz UVFKZULCBIGAPR-IUODEOHRSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737264120 599259393 /nfs/dbraw/zinc/25/93/93/599259393.db2.gz NQZPXYDQFTXMCV-ZDUSSCGKSA-N -1 3 397.866 3.575 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737264120 599259395 /nfs/dbraw/zinc/25/93/95/599259395.db2.gz NQZPXYDQFTXMCV-ZDUSSCGKSA-N -1 3 397.866 3.575 20 0 GHADHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H](C)c1cc2ccccc2o1 ZINC000821161174 607299512 /nfs/dbraw/zinc/29/95/12/607299512.db2.gz VSIOESTZUIUWHC-NSHDSACASA-N -1 3 396.838 3.885 20 0 GHADHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H](C)c1cc2ccccc2o1 ZINC000821161174 607299513 /nfs/dbraw/zinc/29/95/13/607299513.db2.gz VSIOESTZUIUWHC-NSHDSACASA-N -1 3 396.838 3.885 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821134468 607299668 /nfs/dbraw/zinc/29/96/68/607299668.db2.gz WNSXHNVLGNMQAI-UHFFFAOYSA-N -1 3 393.234 3.610 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821134468 607299669 /nfs/dbraw/zinc/29/96/69/607299669.db2.gz WNSXHNVLGNMQAI-UHFFFAOYSA-N -1 3 393.234 3.610 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822214094 607299963 /nfs/dbraw/zinc/29/99/63/607299963.db2.gz PFPKZQNHPGTFFK-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822214094 607299964 /nfs/dbraw/zinc/29/99/64/607299964.db2.gz PFPKZQNHPGTFFK-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000820919448 599263013 /nfs/dbraw/zinc/26/30/13/599263013.db2.gz CBBVWFFROCXUAQ-BEFAXECRSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000820919448 599263015 /nfs/dbraw/zinc/26/30/15/599263015.db2.gz CBBVWFFROCXUAQ-BEFAXECRSA-N -1 3 392.507 3.983 20 0 GHADHM CCCOc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000821134209 607303578 /nfs/dbraw/zinc/30/35/78/607303578.db2.gz OFQSGJHAJXHESZ-UHFFFAOYSA-N -1 3 397.504 3.777 20 0 GHADHM CCCOc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000821134209 607303579 /nfs/dbraw/zinc/30/35/79/607303579.db2.gz OFQSGJHAJXHESZ-UHFFFAOYSA-N -1 3 397.504 3.777 20 0 GHADHM C[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820225195 607303700 /nfs/dbraw/zinc/30/37/00/607303700.db2.gz CVGLUYSRNKXPSZ-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM C[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820225195 607303701 /nfs/dbraw/zinc/30/37/01/607303701.db2.gz CVGLUYSRNKXPSZ-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379765 599266347 /nfs/dbraw/zinc/26/63/47/599266347.db2.gz GQUJQSYAHMDXQT-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379765 599266348 /nfs/dbraw/zinc/26/63/48/599266348.db2.gz GQUJQSYAHMDXQT-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM COc1ccc(CNc2cccc(N3CCC(C)CC3)c2)cc1-c1nn[n-]n1 ZINC000821821559 607317843 /nfs/dbraw/zinc/31/78/43/607317843.db2.gz KWPGVSGDJOHBQQ-UHFFFAOYSA-N -1 3 378.480 3.724 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820690522 599276098 /nfs/dbraw/zinc/27/60/98/599276098.db2.gz NFYJMAHGYIQDOO-GHMZBOCLSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820690522 599276101 /nfs/dbraw/zinc/27/61/01/599276101.db2.gz NFYJMAHGYIQDOO-GHMZBOCLSA-N -1 3 380.399 3.511 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820166389 599273468 /nfs/dbraw/zinc/27/34/68/599273468.db2.gz XWPBXTKONDVQQO-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820166389 599273471 /nfs/dbraw/zinc/27/34/71/599273471.db2.gz XWPBXTKONDVQQO-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM COc1ccc(CNc2cccc(N3CCC(C)CC3)c2)cc1-c1nnn[n-]1 ZINC000821821559 607317842 /nfs/dbraw/zinc/31/78/42/607317842.db2.gz KWPGVSGDJOHBQQ-UHFFFAOYSA-N -1 3 378.480 3.724 20 0 GHADHM CN(CCc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821607277 599286244 /nfs/dbraw/zinc/28/62/44/599286244.db2.gz HSRUBRTVSJNLAX-UHFFFAOYSA-N -1 3 396.398 3.653 20 0 GHADHM CN(CCc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821607277 599286246 /nfs/dbraw/zinc/28/62/46/599286246.db2.gz HSRUBRTVSJNLAX-UHFFFAOYSA-N -1 3 396.398 3.653 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737345395 599289949 /nfs/dbraw/zinc/28/99/49/599289949.db2.gz QKAFQBKTHLXWSN-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737345395 599289952 /nfs/dbraw/zinc/28/99/52/599289952.db2.gz QKAFQBKTHLXWSN-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1nc(C)c(-c2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000737471136 599290063 /nfs/dbraw/zinc/29/00/63/599290063.db2.gz PCUNVSQSAVWUTM-SECBINFHSA-N -1 3 385.478 3.843 20 0 GHADHM Cc1nc(C)c(-c2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000737471136 599290065 /nfs/dbraw/zinc/29/00/65/599290065.db2.gz PCUNVSQSAVWUTM-SECBINFHSA-N -1 3 385.478 3.843 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821082739 607333393 /nfs/dbraw/zinc/33/33/93/607333393.db2.gz NBSPBXRXBJXUPY-UHFFFAOYSA-N -1 3 378.480 3.739 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821082739 607333394 /nfs/dbraw/zinc/33/33/94/607333394.db2.gz NBSPBXRXBJXUPY-UHFFFAOYSA-N -1 3 378.480 3.739 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000822718485 607331411 /nfs/dbraw/zinc/33/14/11/607331411.db2.gz JRODFGGQXYIQEB-LBPRGKRZSA-N -1 3 399.442 3.742 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccc(Cl)n1 ZINC000738183647 598233071 /nfs/dbraw/zinc/23/30/71/598233071.db2.gz LETDEGKHMHOOJR-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000737639804 598235359 /nfs/dbraw/zinc/23/53/59/598235359.db2.gz GHANHZHIQKSVIK-CYBMUJFWSA-N -1 3 380.452 4.000 20 0 GHADHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccc1OCC(F)(F)F ZINC000737047894 598239649 /nfs/dbraw/zinc/23/96/49/598239649.db2.gz UDIVURXZUWZPAG-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM CCCCc1nc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000736465187 598250334 /nfs/dbraw/zinc/25/03/34/598250334.db2.gz BZUJJNKICGUIAC-UHFFFAOYSA-N -1 3 398.536 3.709 20 0 GHADHM CCCCc1nc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000736465187 598250335 /nfs/dbraw/zinc/25/03/35/598250335.db2.gz BZUJJNKICGUIAC-UHFFFAOYSA-N -1 3 398.536 3.709 20 0 GHADHM Fc1ccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)c1 ZINC000737652636 598250783 /nfs/dbraw/zinc/25/07/83/598250783.db2.gz ZSGNAIULMLTSNS-UHFFFAOYSA-N -1 3 387.846 3.703 20 0 GHADHM Fc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000737652636 598250785 /nfs/dbraw/zinc/25/07/85/598250785.db2.gz ZSGNAIULMLTSNS-UHFFFAOYSA-N -1 3 387.846 3.703 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738178790 598254801 /nfs/dbraw/zinc/25/48/01/598254801.db2.gz LBCLUMXWFSNCSY-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738178790 598254802 /nfs/dbraw/zinc/25/48/02/598254802.db2.gz LBCLUMXWFSNCSY-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM COC(=O)[C@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641980 607346350 /nfs/dbraw/zinc/34/63/50/607346350.db2.gz BNBCPVUARKLIQS-ZWKOTPCHSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641980 607346352 /nfs/dbraw/zinc/34/63/52/607346352.db2.gz BNBCPVUARKLIQS-ZWKOTPCHSA-N -1 3 399.882 3.721 20 0 GHADHM COc1cccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)c1OC ZINC000821867329 607346864 /nfs/dbraw/zinc/34/68/64/607346864.db2.gz CAAANCLDMOYDLK-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1cccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1OC ZINC000821867329 607346866 /nfs/dbraw/zinc/34/68/66/607346866.db2.gz CAAANCLDMOYDLK-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000737239921 598271209 /nfs/dbraw/zinc/27/12/09/598271209.db2.gz HLEPXUSQLBTLLU-CQSZACIVSA-N -1 3 382.493 3.615 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000737239921 598271211 /nfs/dbraw/zinc/27/12/11/598271211.db2.gz HLEPXUSQLBTLLU-CQSZACIVSA-N -1 3 382.493 3.615 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000735661854 598274609 /nfs/dbraw/zinc/27/46/09/598274609.db2.gz XIKDLNULRKYCKU-INIZCTEOSA-N -1 3 379.468 3.622 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000735661854 598274611 /nfs/dbraw/zinc/27/46/11/598274611.db2.gz XIKDLNULRKYCKU-INIZCTEOSA-N -1 3 379.468 3.622 20 0 GHADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000737615784 598275406 /nfs/dbraw/zinc/27/54/06/598275406.db2.gz LMFSJQOJSNYZRM-INIZCTEOSA-N -1 3 399.380 3.821 20 0 GHADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000737615784 598275408 /nfs/dbraw/zinc/27/54/08/598275408.db2.gz LMFSJQOJSNYZRM-INIZCTEOSA-N -1 3 399.380 3.821 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000735661573 598275626 /nfs/dbraw/zinc/27/56/26/598275626.db2.gz UYXDQISSCWBRIR-INIZCTEOSA-N -1 3 397.458 3.931 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000735661573 598275627 /nfs/dbraw/zinc/27/56/27/598275627.db2.gz UYXDQISSCWBRIR-INIZCTEOSA-N -1 3 397.458 3.931 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000735661080 598275697 /nfs/dbraw/zinc/27/56/97/598275697.db2.gz QYUGGXZTBWFGBW-QGZVFWFLSA-N -1 3 393.495 3.662 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000735661080 598275699 /nfs/dbraw/zinc/27/56/99/598275699.db2.gz QYUGGXZTBWFGBW-QGZVFWFLSA-N -1 3 393.495 3.662 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737414908 598284488 /nfs/dbraw/zinc/28/44/88/598284488.db2.gz GLCCGQMKOBBYEI-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737414908 598284489 /nfs/dbraw/zinc/28/44/89/598284489.db2.gz GLCCGQMKOBBYEI-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736324216 598297224 /nfs/dbraw/zinc/29/72/24/598297224.db2.gz CATXNWGESHBTEW-HCYCVZQXSA-N -1 3 395.438 3.859 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736324216 598297226 /nfs/dbraw/zinc/29/72/26/598297226.db2.gz CATXNWGESHBTEW-HCYCVZQXSA-N -1 3 395.438 3.859 20 0 GHADHM CCc1cccc(CC)c1NC(=S)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736698660 598297542 /nfs/dbraw/zinc/29/75/42/598297542.db2.gz LBJPRDCNLBHLDJ-UHFFFAOYSA-N -1 3 384.484 3.617 20 0 GHADHM CCc1cccc(CC)c1NC(=S)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736698660 598297543 /nfs/dbraw/zinc/29/75/43/598297543.db2.gz LBJPRDCNLBHLDJ-UHFFFAOYSA-N -1 3 384.484 3.617 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000738233162 598302866 /nfs/dbraw/zinc/30/28/66/598302866.db2.gz DORMSSYNNVOEFR-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1csc(-c2c(F)cccc2F)n1 ZINC000738233162 598302868 /nfs/dbraw/zinc/30/28/68/598302868.db2.gz DORMSSYNNVOEFR-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738577 598310071 /nfs/dbraw/zinc/31/00/71/598310071.db2.gz BFFXSMXZJJTQRS-UHFFFAOYSA-N -1 3 387.418 3.878 20 0 GHADHM CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738577 598310072 /nfs/dbraw/zinc/31/00/72/598310072.db2.gz BFFXSMXZJJTQRS-UHFFFAOYSA-N -1 3 387.418 3.878 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735796904 598314711 /nfs/dbraw/zinc/31/47/11/598314711.db2.gz JRJDHCFKARTFHC-CYBMUJFWSA-N -1 3 379.505 3.570 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735796904 598314714 /nfs/dbraw/zinc/31/47/14/598314714.db2.gz JRJDHCFKARTFHC-CYBMUJFWSA-N -1 3 379.505 3.570 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1N1CCCC1 ZINC000738410191 598319496 /nfs/dbraw/zinc/31/94/96/598319496.db2.gz WGINVTQEXRYKFG-UHFFFAOYSA-N -1 3 399.911 3.929 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1N1CCCC1 ZINC000738410191 598319497 /nfs/dbraw/zinc/31/94/97/598319497.db2.gz WGINVTQEXRYKFG-UHFFFAOYSA-N -1 3 399.911 3.929 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737426443 598320695 /nfs/dbraw/zinc/32/06/95/598320695.db2.gz MJRZZEHNJJPNHV-GFCCVEGCSA-N -1 3 386.912 3.746 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737426443 598320697 /nfs/dbraw/zinc/32/06/97/598320697.db2.gz MJRZZEHNJJPNHV-GFCCVEGCSA-N -1 3 386.912 3.746 20 0 GHADHM CCN(c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1)C(C)C ZINC000736565411 598321418 /nfs/dbraw/zinc/32/14/18/598321418.db2.gz WKLSOXLYEILUAA-UHFFFAOYSA-N -1 3 397.458 3.562 20 0 GHADHM CCN(c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1)C(C)C ZINC000736565411 598321420 /nfs/dbraw/zinc/32/14/20/598321420.db2.gz WKLSOXLYEILUAA-UHFFFAOYSA-N -1 3 397.458 3.562 20 0 GHADHM CCCC[C@@H](CC)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736437144 598323664 /nfs/dbraw/zinc/32/36/64/598323664.db2.gz HGBPHPXPCCXEAS-OAHLLOKOSA-N -1 3 397.479 3.985 20 0 GHADHM CCCC[C@@H](CC)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736437144 598323666 /nfs/dbraw/zinc/32/36/66/598323666.db2.gz HGBPHPXPCCXEAS-OAHLLOKOSA-N -1 3 397.479 3.985 20 0 GHADHM CC(C)(C)c1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cs1 ZINC000735657620 598325087 /nfs/dbraw/zinc/32/50/87/598325087.db2.gz SIARCVCEAKVLJA-UHFFFAOYSA-N -1 3 388.522 3.813 20 0 GHADHM CC(C)(C)c1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cs1 ZINC000735657620 598325089 /nfs/dbraw/zinc/32/50/89/598325089.db2.gz SIARCVCEAKVLJA-UHFFFAOYSA-N -1 3 388.522 3.813 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736199442 598327911 /nfs/dbraw/zinc/32/79/11/598327911.db2.gz OZNFTNLVALCLID-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736199442 598327913 /nfs/dbraw/zinc/32/79/13/598327913.db2.gz OZNFTNLVALCLID-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1ccc(F)cc1Cl ZINC000736187879 598331116 /nfs/dbraw/zinc/33/11/16/598331116.db2.gz KBDJMONPHONPGO-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1ccc(F)cc1Cl ZINC000736187879 598331117 /nfs/dbraw/zinc/33/11/17/598331117.db2.gz KBDJMONPHONPGO-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM O=C(Nc1ccccc1NCc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000738189447 598355372 /nfs/dbraw/zinc/35/53/72/598355372.db2.gz DTJNSBGKLXJREQ-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM O=C(Nc1ccccc1NCc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000738189447 598355374 /nfs/dbraw/zinc/35/53/74/598355374.db2.gz DTJNSBGKLXJREQ-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736393546 598358932 /nfs/dbraw/zinc/35/89/32/598358932.db2.gz ZTKHKVSJIMDUBD-LJQANCHMSA-N -1 3 393.491 3.806 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736393546 598358934 /nfs/dbraw/zinc/35/89/34/598358934.db2.gz ZTKHKVSJIMDUBD-LJQANCHMSA-N -1 3 393.491 3.806 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737148685 598360917 /nfs/dbraw/zinc/36/09/17/598360917.db2.gz UFSIEEYGBMOKHT-KQDNUWKFSA-N -1 3 389.459 3.642 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737148685 598360919 /nfs/dbraw/zinc/36/09/19/598360919.db2.gz UFSIEEYGBMOKHT-KQDNUWKFSA-N -1 3 389.459 3.642 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000738152110 598361307 /nfs/dbraw/zinc/36/13/07/598361307.db2.gz NOKKUEBXCFECMX-SJORKVTESA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000738152110 598361308 /nfs/dbraw/zinc/36/13/08/598361308.db2.gz NOKKUEBXCFECMX-SJORKVTESA-N -1 3 398.854 3.562 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000735642525 598365666 /nfs/dbraw/zinc/36/56/66/598365666.db2.gz CDYPDQWNVHXMLF-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000735642525 598365668 /nfs/dbraw/zinc/36/56/68/598365668.db2.gz CDYPDQWNVHXMLF-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM Cc1ccc(C)c(N(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737321169 598373064 /nfs/dbraw/zinc/37/30/64/598373064.db2.gz DUVNLBCICKVULS-MRXNPFEDSA-N -1 3 379.464 3.692 20 0 GHADHM c1ccc(-c2noc([C@@H]3CCCCN3Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738424685 598375321 /nfs/dbraw/zinc/37/53/21/598375321.db2.gz IUQHYKQYMVFENF-SFHVURJKSA-N -1 3 387.447 3.644 20 0 GHADHM Cc1c(Br)cccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737201638 598378748 /nfs/dbraw/zinc/37/87/48/598378748.db2.gz FMFOBKHKUOUQIU-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM Cc1c(Br)cccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737201638 598378747 /nfs/dbraw/zinc/37/87/47/598378747.db2.gz FMFOBKHKUOUQIU-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000737316565 598385380 /nfs/dbraw/zinc/38/53/80/598385380.db2.gz YZHMOSBVOUCJNS-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000737316565 598385382 /nfs/dbraw/zinc/38/53/82/598385382.db2.gz YZHMOSBVOUCJNS-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Br)c1 ZINC000736137774 598387796 /nfs/dbraw/zinc/38/77/96/598387796.db2.gz NULRUCCXUWEJNU-MRVPVSSYSA-N -1 3 379.649 3.851 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Br)c1 ZINC000736137774 598387798 /nfs/dbraw/zinc/38/77/98/598387798.db2.gz NULRUCCXUWEJNU-MRVPVSSYSA-N -1 3 379.649 3.851 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1OC(C)C)CC2 ZINC000737372302 598393291 /nfs/dbraw/zinc/39/32/91/598393291.db2.gz WXBBPDFEWZRTJN-KRWDZBQOSA-N -1 3 392.463 3.771 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1OC(C)C)CC2 ZINC000737372302 598393293 /nfs/dbraw/zinc/39/32/93/598393293.db2.gz WXBBPDFEWZRTJN-KRWDZBQOSA-N -1 3 392.463 3.771 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000737558618 598393902 /nfs/dbraw/zinc/39/39/02/598393902.db2.gz OXPJVGVZDBKFTM-DGCLKSJQSA-N -1 3 391.660 3.646 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000737558618 598393904 /nfs/dbraw/zinc/39/39/04/598393904.db2.gz OXPJVGVZDBKFTM-DGCLKSJQSA-N -1 3 391.660 3.646 20 0 GHADHM CN(CC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736787786 598412952 /nfs/dbraw/zinc/41/29/52/598412952.db2.gz FGWHDWWFLBFRSN-UHFFFAOYSA-N -1 3 381.440 3.564 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000736187883 598415593 /nfs/dbraw/zinc/41/55/93/598415593.db2.gz KBDJMONPHONPGO-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000736187883 598415595 /nfs/dbraw/zinc/41/55/95/598415595.db2.gz KBDJMONPHONPGO-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735733414 598416321 /nfs/dbraw/zinc/41/63/21/598416321.db2.gz ABFKQIHFLSPLRA-GOSISDBHSA-N -1 3 381.505 3.642 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735733414 598416322 /nfs/dbraw/zinc/41/63/22/598416322.db2.gz ABFKQIHFLSPLRA-GOSISDBHSA-N -1 3 381.505 3.642 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736189239 598416981 /nfs/dbraw/zinc/41/69/81/598416981.db2.gz BMTPCHYRKUHCGW-SWLSCSKDSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736189239 598416982 /nfs/dbraw/zinc/41/69/82/598416982.db2.gz BMTPCHYRKUHCGW-SWLSCSKDSA-N -1 3 385.518 3.773 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000737397402 598418387 /nfs/dbraw/zinc/41/83/87/598418387.db2.gz WRQFDYWHNXOVPH-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000737397402 598418388 /nfs/dbraw/zinc/41/83/88/598418388.db2.gz WRQFDYWHNXOVPH-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccc3c(c2)CCCO3)cc1 ZINC000738428614 598426879 /nfs/dbraw/zinc/42/68/79/598426879.db2.gz PNLNNDXZVBYWCB-OAQYLSRUSA-N -1 3 384.443 3.788 20 0 GHADHM c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccc3c(c2)CCCO3)cc1 ZINC000738428614 598426882 /nfs/dbraw/zinc/42/68/82/598426882.db2.gz PNLNNDXZVBYWCB-OAQYLSRUSA-N -1 3 384.443 3.788 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1Cl ZINC000735874114 598427625 /nfs/dbraw/zinc/42/76/25/598427625.db2.gz MRBRCWMUKDVODF-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1Cl ZINC000735874114 598427627 /nfs/dbraw/zinc/42/76/27/598427627.db2.gz MRBRCWMUKDVODF-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000736240677 598430082 /nfs/dbraw/zinc/43/00/82/598430082.db2.gz WFPPTPCQWGASOV-KSSFIOAISA-N -1 3 394.479 3.703 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000736240677 598430083 /nfs/dbraw/zinc/43/00/83/598430083.db2.gz WFPPTPCQWGASOV-KSSFIOAISA-N -1 3 394.479 3.703 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000735905075 598430836 /nfs/dbraw/zinc/43/08/36/598430836.db2.gz DGLUXURFFMMCRK-UHFFFAOYSA-N -1 3 398.492 3.696 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCc2sccc2C1 ZINC000735905075 598430838 /nfs/dbraw/zinc/43/08/38/598430838.db2.gz DGLUXURFFMMCRK-UHFFFAOYSA-N -1 3 398.492 3.696 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738146662 598438682 /nfs/dbraw/zinc/43/86/82/598438682.db2.gz ZHIOSCAPVPINGQ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738146662 598438685 /nfs/dbraw/zinc/43/86/85/598438685.db2.gz ZHIOSCAPVPINGQ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737140416 598444570 /nfs/dbraw/zinc/44/45/70/598444570.db2.gz CTCUTFWQUSKRGQ-KAMYIIQDSA-N -1 3 393.447 3.705 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737140416 598444572 /nfs/dbraw/zinc/44/45/72/598444572.db2.gz CTCUTFWQUSKRGQ-KAMYIIQDSA-N -1 3 393.447 3.705 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737087474 598444917 /nfs/dbraw/zinc/44/49/17/598444917.db2.gz HQNNKOCSHUIVSB-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737087474 598444919 /nfs/dbraw/zinc/44/49/19/598444919.db2.gz HQNNKOCSHUIVSB-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737800163 598447504 /nfs/dbraw/zinc/44/75/04/598447504.db2.gz PWTIUUOPRYGAPC-CMDGGOBGSA-N -1 3 399.376 3.704 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737800163 598447505 /nfs/dbraw/zinc/44/75/05/598447505.db2.gz PWTIUUOPRYGAPC-CMDGGOBGSA-N -1 3 399.376 3.704 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826474069 607358062 /nfs/dbraw/zinc/35/80/62/607358062.db2.gz ZDEAWZGGODUPBE-GOSISDBHSA-N -1 3 375.476 3.742 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826474069 607358063 /nfs/dbraw/zinc/35/80/63/607358063.db2.gz ZDEAWZGGODUPBE-GOSISDBHSA-N -1 3 375.476 3.742 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735912699 598475814 /nfs/dbraw/zinc/47/58/14/598475814.db2.gz BCQHORIUVVNHQF-UHFFFAOYSA-N -1 3 392.463 3.850 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735912699 598475816 /nfs/dbraw/zinc/47/58/16/598475816.db2.gz BCQHORIUVVNHQF-UHFFFAOYSA-N -1 3 392.463 3.850 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000737062343 598476671 /nfs/dbraw/zinc/47/66/71/598476671.db2.gz JLCXXXPKNJOGIM-INIZCTEOSA-N -1 3 392.463 3.677 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000737062343 598476673 /nfs/dbraw/zinc/47/66/73/598476673.db2.gz JLCXXXPKNJOGIM-INIZCTEOSA-N -1 3 392.463 3.677 20 0 GHADHM C[C@H](CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000735987607 598479271 /nfs/dbraw/zinc/47/92/71/598479271.db2.gz VQWGBJIMVUSHGI-MRXNPFEDSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000735987607 598479272 /nfs/dbraw/zinc/47/92/72/598479272.db2.gz VQWGBJIMVUSHGI-MRXNPFEDSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000737320305 598480123 /nfs/dbraw/zinc/48/01/23/598480123.db2.gz KRWSFPAIOSKMQJ-ZDUSSCGKSA-N -1 3 382.493 3.672 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000737320305 598480125 /nfs/dbraw/zinc/48/01/25/598480125.db2.gz KRWSFPAIOSKMQJ-ZDUSSCGKSA-N -1 3 382.493 3.672 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157235 598485696 /nfs/dbraw/zinc/48/56/96/598485696.db2.gz IHRKPSFJNMHRSM-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157235 598485697 /nfs/dbraw/zinc/48/56/97/598485697.db2.gz IHRKPSFJNMHRSM-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735654864 598488638 /nfs/dbraw/zinc/48/86/38/598488638.db2.gz JYRDAVFAJCKADA-PWSUYJOCSA-N -1 3 384.406 3.730 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735654864 598488639 /nfs/dbraw/zinc/48/86/39/598488639.db2.gz JYRDAVFAJCKADA-PWSUYJOCSA-N -1 3 384.406 3.730 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826475943 607358488 /nfs/dbraw/zinc/35/84/88/607358488.db2.gz WUGYVYBIKSRSMD-INIZCTEOSA-N -1 3 381.505 3.803 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826475943 607358489 /nfs/dbraw/zinc/35/84/89/607358489.db2.gz WUGYVYBIKSRSMD-INIZCTEOSA-N -1 3 381.505 3.803 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(Cl)c3)c2-c2nnn[n-]2)C1 ZINC000736281814 598494815 /nfs/dbraw/zinc/49/48/15/598494815.db2.gz XHSMPZBODZXFNW-JTQLQIEISA-N -1 3 387.896 3.888 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(Cl)c3)c2-c2nn[n-]n2)C1 ZINC000736281814 598494816 /nfs/dbraw/zinc/49/48/16/598494816.db2.gz XHSMPZBODZXFNW-JTQLQIEISA-N -1 3 387.896 3.888 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2sc(CC(C)C)nc2C)s1 ZINC000736679196 598498412 /nfs/dbraw/zinc/49/84/12/598498412.db2.gz NTVCWRLNWIQNAL-UHFFFAOYSA-N -1 3 376.511 3.706 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2sc(CC(C)C)nc2C)s1 ZINC000736679196 598498413 /nfs/dbraw/zinc/49/84/13/598498413.db2.gz NTVCWRLNWIQNAL-UHFFFAOYSA-N -1 3 376.511 3.706 20 0 GHADHM c1cc(-c2nc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cs2)co1 ZINC000738404634 598506336 /nfs/dbraw/zinc/50/63/36/598506336.db2.gz HQPIAEPRCRIOSI-UHFFFAOYSA-N -1 3 378.461 3.748 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000736676312 598517587 /nfs/dbraw/zinc/51/75/87/598517587.db2.gz RGSJVZWEYXGBBR-UHFFFAOYSA-N -1 3 395.460 3.808 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000736676312 598517589 /nfs/dbraw/zinc/51/75/89/598517589.db2.gz RGSJVZWEYXGBBR-UHFFFAOYSA-N -1 3 395.460 3.808 20 0 GHADHM Cc1nnc(Nc2ccc(N3CCCCC3)c(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000737531575 598523491 /nfs/dbraw/zinc/52/34/91/598523491.db2.gz CXCQGQKZQGSYMK-UHFFFAOYSA-N -1 3 384.875 3.661 20 0 GHADHM Cc1nnc(Nc2ccc(N3CCCCC3)c(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000737531575 598523492 /nfs/dbraw/zinc/52/34/92/598523492.db2.gz CXCQGQKZQGSYMK-UHFFFAOYSA-N -1 3 384.875 3.661 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(Cl)cc1F ZINC000738211928 598535139 /nfs/dbraw/zinc/53/51/39/598535139.db2.gz UYHAVMDRUIOKBZ-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(Cl)cc1F ZINC000738211928 598535141 /nfs/dbraw/zinc/53/51/41/598535141.db2.gz UYHAVMDRUIOKBZ-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM CC(C)CC[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735797118 598538503 /nfs/dbraw/zinc/53/85/03/598538503.db2.gz LQIGBTFCUSMSOJ-AWEZNQCLSA-N -1 3 383.452 3.593 20 0 GHADHM C[C@H](N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)(C)C ZINC000736097644 598538513 /nfs/dbraw/zinc/53/85/13/598538513.db2.gz QAGXYCGDEJVNHZ-ZDUSSCGKSA-N -1 3 383.452 3.545 20 0 GHADHM CCc1ccccc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736702475 598539178 /nfs/dbraw/zinc/53/91/78/598539178.db2.gz PWCUTYKXTNEOPV-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737347096 598539542 /nfs/dbraw/zinc/53/95/42/598539542.db2.gz MDJIAINPFHCYLD-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(NC1CCCCCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738023605 598539590 /nfs/dbraw/zinc/53/95/90/598539590.db2.gz HIBWLFLIYGSHCS-UHFFFAOYSA-N -1 3 395.463 3.881 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc(Cl)o1 ZINC000738174333 598544831 /nfs/dbraw/zinc/54/48/31/598544831.db2.gz XFYUJNWPLVEZNI-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc(Cl)o1 ZINC000738174333 598544832 /nfs/dbraw/zinc/54/48/32/598544832.db2.gz XFYUJNWPLVEZNI-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(C)c1 ZINC000737337500 598545462 /nfs/dbraw/zinc/54/54/62/598545462.db2.gz DRUHWJHWOJKWSP-UHFFFAOYSA-N -1 3 387.390 3.656 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(C)c1 ZINC000737337500 598545464 /nfs/dbraw/zinc/54/54/64/598545464.db2.gz DRUHWJHWOJKWSP-UHFFFAOYSA-N -1 3 387.390 3.656 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)C(F)(F)F ZINC000738171167 598556852 /nfs/dbraw/zinc/55/68/52/598556852.db2.gz DLDOJDWSKTUOOG-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)C(F)(F)F ZINC000738171167 598556853 /nfs/dbraw/zinc/55/68/53/598556853.db2.gz DLDOJDWSKTUOOG-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM CCCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736459963 598558531 /nfs/dbraw/zinc/55/85/31/598558531.db2.gz CJFIYBRHZREVKG-UHFFFAOYSA-N -1 3 380.452 3.676 20 0 GHADHM CCCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736459963 598558534 /nfs/dbraw/zinc/55/85/34/598558534.db2.gz CJFIYBRHZREVKG-UHFFFAOYSA-N -1 3 380.452 3.676 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736252958 598561803 /nfs/dbraw/zinc/56/18/03/598561803.db2.gz SHWHIASPRORTKF-ZYHUDNBSSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736252958 598561804 /nfs/dbraw/zinc/56/18/04/598561804.db2.gz SHWHIASPRORTKF-ZYHUDNBSSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736263615 598565104 /nfs/dbraw/zinc/56/51/04/598565104.db2.gz RLWAXRWAPAMGNV-FZKQIMNGSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736263615 598565106 /nfs/dbraw/zinc/56/51/06/598565106.db2.gz RLWAXRWAPAMGNV-FZKQIMNGSA-N -1 3 378.436 3.969 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000738163097 598587007 /nfs/dbraw/zinc/58/70/07/598587007.db2.gz OBMADTRKOONUEW-LJQANCHMSA-N -1 3 389.390 3.765 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000738163097 598587008 /nfs/dbraw/zinc/58/70/08/598587008.db2.gz OBMADTRKOONUEW-LJQANCHMSA-N -1 3 389.390 3.765 20 0 GHADHM CCC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736419947 598593436 /nfs/dbraw/zinc/59/34/36/598593436.db2.gz PIXAEUTVTKRAFX-CYBMUJFWSA-N -1 3 383.427 3.960 20 0 GHADHM CCC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736419947 598593438 /nfs/dbraw/zinc/59/34/38/598593438.db2.gz PIXAEUTVTKRAFX-CYBMUJFWSA-N -1 3 383.427 3.960 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(-c3nc(-c4cccnc4)no3)c2)c1 ZINC000738446059 598609535 /nfs/dbraw/zinc/60/95/35/598609535.db2.gz SMLJBJDBFRWQGJ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(-c3nc(-c4cccnc4)no3)c2)c1 ZINC000738446059 598609536 /nfs/dbraw/zinc/60/95/36/598609536.db2.gz SMLJBJDBFRWQGJ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM O=C(OCc1cccc2ccccc21)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738232081 598621088 /nfs/dbraw/zinc/62/10/88/598621088.db2.gz FLQRYSLCQAVNPB-OAQYLSRUSA-N -1 3 399.454 3.732 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736170026 598623713 /nfs/dbraw/zinc/62/37/13/598623713.db2.gz QPAXGPIZDBUOMT-CQSZACIVSA-N -1 3 392.463 3.627 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000738165297 598628676 /nfs/dbraw/zinc/62/86/76/598628676.db2.gz BNHWYTLDWCMCMB-AWEZNQCLSA-N -1 3 388.403 3.504 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000738165297 598628677 /nfs/dbraw/zinc/62/86/77/598628677.db2.gz BNHWYTLDWCMCMB-AWEZNQCLSA-N -1 3 388.403 3.504 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000737309973 598634724 /nfs/dbraw/zinc/63/47/24/598634724.db2.gz XMZYWHNHZYGNSE-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000737309973 598634725 /nfs/dbraw/zinc/63/47/25/598634725.db2.gz XMZYWHNHZYGNSE-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM Fc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)c(-c2nnn[n-]2)c1 ZINC000737651528 598645139 /nfs/dbraw/zinc/64/51/39/598645139.db2.gz XOXPVGSPAHEZNF-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Fc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)c(-c2nn[n-]n2)c1 ZINC000737651528 598645141 /nfs/dbraw/zinc/64/51/41/598645141.db2.gz XOXPVGSPAHEZNF-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737346532 598645217 /nfs/dbraw/zinc/64/52/17/598645217.db2.gz HKZHOCKYFOWOCJ-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737346532 598645218 /nfs/dbraw/zinc/64/52/18/598645218.db2.gz HKZHOCKYFOWOCJ-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736741850 598645302 /nfs/dbraw/zinc/64/53/02/598645302.db2.gz UMEBYQXPABCUTK-AWEZNQCLSA-N -1 3 392.410 3.799 20 0 GHADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736741850 598645303 /nfs/dbraw/zinc/64/53/03/598645303.db2.gz UMEBYQXPABCUTK-AWEZNQCLSA-N -1 3 392.410 3.799 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2ccccc21 ZINC000737833045 598645362 /nfs/dbraw/zinc/64/53/62/598645362.db2.gz NFXXDNGTEWJVQX-HXUWFJFHSA-N -1 3 391.475 3.610 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2ccccc21 ZINC000737833045 598645364 /nfs/dbraw/zinc/64/53/64/598645364.db2.gz NFXXDNGTEWJVQX-HXUWFJFHSA-N -1 3 391.475 3.610 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)c(C)c1 ZINC000737290845 598645881 /nfs/dbraw/zinc/64/58/81/598645881.db2.gz XNYNTKPIESZPAT-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)c(C)c1 ZINC000737290845 598645882 /nfs/dbraw/zinc/64/58/82/598645882.db2.gz XNYNTKPIESZPAT-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM COc1ccccc1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737152032 598646210 /nfs/dbraw/zinc/64/62/10/598646210.db2.gz KSJIJCTYSSMKMQ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737152032 598646212 /nfs/dbraw/zinc/64/62/12/598646212.db2.gz KSJIJCTYSSMKMQ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000737941695 598646246 /nfs/dbraw/zinc/64/62/46/598646246.db2.gz PORFPYKATMKUSF-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000737941695 598646248 /nfs/dbraw/zinc/64/62/48/598646248.db2.gz PORFPYKATMKUSF-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1C ZINC000736503608 598647713 /nfs/dbraw/zinc/64/77/13/598647713.db2.gz YSMGDZLEOJGYIR-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1C ZINC000736503608 598647715 /nfs/dbraw/zinc/64/77/15/598647715.db2.gz YSMGDZLEOJGYIR-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM Cc1ccc(C(C)(C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737317835 598649185 /nfs/dbraw/zinc/64/91/85/598649185.db2.gz OGVZJWQQJLRTDV-UHFFFAOYSA-N -1 3 395.532 3.502 20 0 GHADHM Cc1ccc(C(C)(C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737317835 598649187 /nfs/dbraw/zinc/64/91/87/598649187.db2.gz OGVZJWQQJLRTDV-UHFFFAOYSA-N -1 3 395.532 3.502 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274400 598649464 /nfs/dbraw/zinc/64/94/64/598649464.db2.gz UPQQXKYLDZKAIA-RDTXWAMCSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274400 598649466 /nfs/dbraw/zinc/64/94/66/598649466.db2.gz UPQQXKYLDZKAIA-RDTXWAMCSA-N -1 3 392.463 3.705 20 0 GHADHM O=C(NCCc1cccs1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738087355 598649759 /nfs/dbraw/zinc/64/97/59/598649759.db2.gz FQRSBIYBWKWEAD-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(NCCc1cccs1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738087355 598649761 /nfs/dbraw/zinc/64/97/61/598649761.db2.gz FQRSBIYBWKWEAD-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736048928 598649977 /nfs/dbraw/zinc/64/99/77/598649977.db2.gz YBKPJPXMJWAOJY-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736048928 598649978 /nfs/dbraw/zinc/64/99/78/598649978.db2.gz YBKPJPXMJWAOJY-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(Cc1cccs1)C1CC1 ZINC000737833516 598650145 /nfs/dbraw/zinc/65/01/45/598650145.db2.gz VGAOEMHDDIPONG-UHFFFAOYSA-N -1 3 397.504 3.669 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(Cc1cccs1)C1CC1 ZINC000737833516 598650147 /nfs/dbraw/zinc/65/01/47/598650147.db2.gz VGAOEMHDDIPONG-UHFFFAOYSA-N -1 3 397.504 3.669 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503358 598651926 /nfs/dbraw/zinc/65/19/26/598651926.db2.gz VQFUMAWPQHVFBQ-CVEARBPZSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503358 598651927 /nfs/dbraw/zinc/65/19/27/598651927.db2.gz VQFUMAWPQHVFBQ-CVEARBPZSA-N -1 3 393.491 3.979 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccsc1 ZINC000737831778 598653981 /nfs/dbraw/zinc/65/39/81/598653981.db2.gz DQSAPUIFCKXURB-SFHVURJKSA-N -1 3 397.504 3.841 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccsc1 ZINC000737831778 598653983 /nfs/dbraw/zinc/65/39/83/598653983.db2.gz DQSAPUIFCKXURB-SFHVURJKSA-N -1 3 397.504 3.841 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274361 598654223 /nfs/dbraw/zinc/65/42/23/598654223.db2.gz UNENMLKZXDTSAO-ZBFHGGJFSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274361 598654226 /nfs/dbraw/zinc/65/42/26/598654226.db2.gz UNENMLKZXDTSAO-ZBFHGGJFSA-N -1 3 392.463 3.610 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)Cc1cccnc1 ZINC000737279179 598654961 /nfs/dbraw/zinc/65/49/61/598654961.db2.gz HSNQQSBIQPSURK-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1cccc(Nc2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000737399557 598659149 /nfs/dbraw/zinc/65/91/49/598659149.db2.gz MFBNIFHSMMXAEU-UHFFFAOYSA-N -1 3 385.431 3.874 20 0 GHADHM Cc1cccc(Nc2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000737399557 598659151 /nfs/dbraw/zinc/65/91/51/598659151.db2.gz MFBNIFHSMMXAEU-UHFFFAOYSA-N -1 3 385.431 3.874 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCCc2ccccc21 ZINC000737943673 598659365 /nfs/dbraw/zinc/65/93/65/598659365.db2.gz UOBGORNYBHLALI-SFHVURJKSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCCc2ccccc21 ZINC000737943673 598659367 /nfs/dbraw/zinc/65/93/67/598659367.db2.gz UOBGORNYBHLALI-SFHVURJKSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000738150841 598660717 /nfs/dbraw/zinc/66/07/17/598660717.db2.gz JJKFKUOCONHQIJ-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000738150841 598660718 /nfs/dbraw/zinc/66/07/18/598660718.db2.gz JJKFKUOCONHQIJ-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736192739 598661595 /nfs/dbraw/zinc/66/15/95/598661595.db2.gz LYVPXUKEYZAJBM-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736192739 598661596 /nfs/dbraw/zinc/66/15/96/598661596.db2.gz LYVPXUKEYZAJBM-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM CCCCOCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736459493 598663186 /nfs/dbraw/zinc/66/31/86/598663186.db2.gz CNFOJUOGNZDYAC-UHFFFAOYSA-N -1 3 395.463 3.596 20 0 GHADHM CCCCOCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736459493 598663188 /nfs/dbraw/zinc/66/31/88/598663188.db2.gz CNFOJUOGNZDYAC-UHFFFAOYSA-N -1 3 395.463 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(CSc2ccccc2)cc1 ZINC000738152599 598663874 /nfs/dbraw/zinc/66/38/74/598663874.db2.gz YCVYZVUTVJPMMC-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(CSc2ccccc2)cc1 ZINC000738152599 598663876 /nfs/dbraw/zinc/66/38/76/598663876.db2.gz YCVYZVUTVJPMMC-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM CC(C)c1nc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000735942496 598664410 /nfs/dbraw/zinc/66/44/10/598664410.db2.gz LFELJEOFEWLAMD-UHFFFAOYSA-N -1 3 394.460 3.862 20 0 GHADHM CC(C)c1nc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000735942496 598664413 /nfs/dbraw/zinc/66/44/13/598664413.db2.gz LFELJEOFEWLAMD-UHFFFAOYSA-N -1 3 394.460 3.862 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737371856 598665336 /nfs/dbraw/zinc/66/53/36/598665336.db2.gz NPTZSQZXBFIVPY-HXUWFJFHSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737371856 598665338 /nfs/dbraw/zinc/66/53/38/598665338.db2.gz NPTZSQZXBFIVPY-HXUWFJFHSA-N -1 3 391.475 3.528 20 0 GHADHM O=C(Nc1cccnc1Cl)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738194443 598665660 /nfs/dbraw/zinc/66/56/60/598665660.db2.gz AYKAGDQRYXAGPD-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1occc1CN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737557981 598666599 /nfs/dbraw/zinc/66/65/99/598666599.db2.gz YYTUNJQDVZHKRC-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1occc1CN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737557981 598666601 /nfs/dbraw/zinc/66/66/01/598666601.db2.gz YYTUNJQDVZHKRC-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM CN(CCC1CCCCC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736791711 598686343 /nfs/dbraw/zinc/68/63/43/598686343.db2.gz GUFNZGWJDZUTKQ-UHFFFAOYSA-N -1 3 385.512 3.845 20 0 GHADHM CN(CCC1CCCCC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736791711 598686345 /nfs/dbraw/zinc/68/63/45/598686345.db2.gz GUFNZGWJDZUTKQ-UHFFFAOYSA-N -1 3 385.512 3.845 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737355866 598696514 /nfs/dbraw/zinc/69/65/14/598696514.db2.gz MASLJSYDBXNSMM-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737355866 598696515 /nfs/dbraw/zinc/69/65/15/598696515.db2.gz MASLJSYDBXNSMM-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191485 598697341 /nfs/dbraw/zinc/69/73/41/598697341.db2.gz JGSYPAOBJIFFIE-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191485 598697343 /nfs/dbraw/zinc/69/73/43/598697343.db2.gz JGSYPAOBJIFFIE-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738232578 598711583 /nfs/dbraw/zinc/71/15/83/598711583.db2.gz SQSBUYSCVDLRBQ-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738232578 598711586 /nfs/dbraw/zinc/71/15/86/598711586.db2.gz SQSBUYSCVDLRBQ-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccccc1-c1nnn[n-]1 ZINC000737808648 598712525 /nfs/dbraw/zinc/71/25/25/598712525.db2.gz PPWXPYIFSYZHRE-HNNXBMFYSA-N -1 3 376.338 3.646 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccccc1-c1nn[n-]n1 ZINC000737808648 598712526 /nfs/dbraw/zinc/71/25/26/598712526.db2.gz PPWXPYIFSYZHRE-HNNXBMFYSA-N -1 3 376.338 3.646 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737064605 598725696 /nfs/dbraw/zinc/72/56/96/598725696.db2.gz XGHRYRDFVQLIEE-QGZVFWFLSA-N -1 3 392.463 3.504 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737064605 598725699 /nfs/dbraw/zinc/72/56/99/598725699.db2.gz XGHRYRDFVQLIEE-QGZVFWFLSA-N -1 3 392.463 3.504 20 0 GHADHM O=C(OCC1CCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738221399 598726805 /nfs/dbraw/zinc/72/68/05/598726805.db2.gz WKXRVCVEZIXKGE-UHFFFAOYSA-N -1 3 379.420 3.791 20 0 GHADHM O=C(OCC1CCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738221399 598726807 /nfs/dbraw/zinc/72/68/07/598726807.db2.gz WKXRVCVEZIXKGE-UHFFFAOYSA-N -1 3 379.420 3.791 20 0 GHADHM CCN(Cc1csc(-c2ccccn2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557097 598727687 /nfs/dbraw/zinc/72/76/87/598727687.db2.gz WOZLOSRIBKXLTM-AWEZNQCLSA-N -1 3 391.504 3.968 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000735907272 598729088 /nfs/dbraw/zinc/72/90/88/598729088.db2.gz ZXPKHZPRSJEHNK-BFUOFWGJSA-N -1 3 392.463 3.709 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000735907272 598729089 /nfs/dbraw/zinc/72/90/89/598729089.db2.gz ZXPKHZPRSJEHNK-BFUOFWGJSA-N -1 3 392.463 3.709 20 0 GHADHM CCc1nc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000736699238 598732122 /nfs/dbraw/zinc/73/21/22/598732122.db2.gz LZUMIEGIYGTWQP-CYBMUJFWSA-N -1 3 399.524 3.567 20 0 GHADHM CCc1nc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000736699238 598732124 /nfs/dbraw/zinc/73/21/24/598732124.db2.gz LZUMIEGIYGTWQP-CYBMUJFWSA-N -1 3 399.524 3.567 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501199 598741810 /nfs/dbraw/zinc/74/18/10/598741810.db2.gz ALDYYZOOAJJOTR-DLBZAZTESA-N -1 3 389.503 3.971 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501199 598741811 /nfs/dbraw/zinc/74/18/11/598741811.db2.gz ALDYYZOOAJJOTR-DLBZAZTESA-N -1 3 389.503 3.971 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921720 598743887 /nfs/dbraw/zinc/74/38/87/598743887.db2.gz ZGMRQXCKAJDDQA-AWEZNQCLSA-N -1 3 381.505 3.787 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735921720 598743888 /nfs/dbraw/zinc/74/38/88/598743888.db2.gz ZGMRQXCKAJDDQA-AWEZNQCLSA-N -1 3 381.505 3.787 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736664799 598745299 /nfs/dbraw/zinc/74/52/99/598745299.db2.gz FFIIHDGAKBEFOY-ZDUSSCGKSA-N -1 3 399.545 3.948 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736664799 598745300 /nfs/dbraw/zinc/74/53/00/598745300.db2.gz FFIIHDGAKBEFOY-ZDUSSCGKSA-N -1 3 399.545 3.948 20 0 GHADHM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736136103 598747089 /nfs/dbraw/zinc/74/70/89/598747089.db2.gz FIDZGDBYMYBYMB-YFKPBYRVSA-N -1 3 381.252 3.679 20 0 GHADHM CC(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)(c1ccccc1)c1ccccc1 ZINC000736099819 598748208 /nfs/dbraw/zinc/74/82/08/598748208.db2.gz IGAHSMJAYVYXLQ-WUKNDPDISA-N -1 3 395.466 3.960 20 0 GHADHM CC(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)(c1ccccc1)c1ccccc1 ZINC000736099819 598748209 /nfs/dbraw/zinc/74/82/09/598748209.db2.gz IGAHSMJAYVYXLQ-WUKNDPDISA-N -1 3 395.466 3.960 20 0 GHADHM C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736193180 598751178 /nfs/dbraw/zinc/75/11/78/598751178.db2.gz PZGANZDGYLNCFO-SECBINFHSA-N -1 3 399.867 3.516 20 0 GHADHM C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736193180 598751179 /nfs/dbraw/zinc/75/11/79/598751179.db2.gz PZGANZDGYLNCFO-SECBINFHSA-N -1 3 399.867 3.516 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737418466 598754802 /nfs/dbraw/zinc/75/48/02/598754802.db2.gz BANVBVPRIVBEGG-FQEVSTJZSA-N -1 3 395.532 3.922 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737418466 598754803 /nfs/dbraw/zinc/75/48/03/598754803.db2.gz BANVBVPRIVBEGG-FQEVSTJZSA-N -1 3 395.532 3.922 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737415135 598764772 /nfs/dbraw/zinc/76/47/72/598764772.db2.gz JTLVAYQGDSCGGF-OXQOHEQNSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737415135 598764774 /nfs/dbraw/zinc/76/47/74/598764774.db2.gz JTLVAYQGDSCGGF-OXQOHEQNSA-N -1 3 393.491 3.798 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738163927 598769731 /nfs/dbraw/zinc/76/97/31/598769731.db2.gz RQXLXAMWCZVACR-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H]1CCCC[C@H]1OCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736271428 598770182 /nfs/dbraw/zinc/77/01/82/598770182.db2.gz NKPCSCJCKXUKJS-MEDUHNTESA-N -1 3 388.422 3.700 20 0 GHADHM C[C@H]1CCCC[C@H]1OCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736271428 598770184 /nfs/dbraw/zinc/77/01/84/598770184.db2.gz NKPCSCJCKXUKJS-MEDUHNTESA-N -1 3 388.422 3.700 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736665872 598777456 /nfs/dbraw/zinc/77/74/56/598777456.db2.gz IDKYNIIFOXHWGY-AWEZNQCLSA-N -1 3 396.520 3.881 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736665872 598777458 /nfs/dbraw/zinc/77/74/58/598777458.db2.gz IDKYNIIFOXHWGY-AWEZNQCLSA-N -1 3 396.520 3.881 20 0 GHADHM c1ccc(-c2nccc(NCCSCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738422709 598792515 /nfs/dbraw/zinc/79/25/15/598792515.db2.gz KWYMZOYGFRVJSQ-UHFFFAOYSA-N -1 3 389.488 3.669 20 0 GHADHM c1ccc(-c2nccc(NCCSCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738422709 598792516 /nfs/dbraw/zinc/79/25/16/598792516.db2.gz KWYMZOYGFRVJSQ-UHFFFAOYSA-N -1 3 389.488 3.669 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CCC1 ZINC000738182699 598793430 /nfs/dbraw/zinc/79/34/30/598793430.db2.gz HOHJOQUNMGKYFZ-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CCC1 ZINC000738182699 598793431 /nfs/dbraw/zinc/79/34/31/598793431.db2.gz HOHJOQUNMGKYFZ-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM c1ccc2sc(N3CCC(Oc4cccc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000738419070 598798791 /nfs/dbraw/zinc/79/87/91/598798791.db2.gz MWGZVWSVSOGATI-UHFFFAOYSA-N -1 3 378.461 3.524 20 0 GHADHM c1ccc2sc(N3CCC(Oc4cccc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000738419070 598798792 /nfs/dbraw/zinc/79/87/92/598798792.db2.gz MWGZVWSVSOGATI-UHFFFAOYSA-N -1 3 378.461 3.524 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737341900 598814271 /nfs/dbraw/zinc/81/42/71/598814271.db2.gz AZHHIKNDBRLNOQ-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737341900 598814273 /nfs/dbraw/zinc/81/42/73/598814273.db2.gz AZHHIKNDBRLNOQ-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(N2CC[C@H]2c2ccccc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270617 598815341 /nfs/dbraw/zinc/81/53/41/598815341.db2.gz DTMXOADTAJTFQL-KRWDZBQOSA-N -1 3 381.443 3.927 20 0 GHADHM Cc1cc(N2CC[C@H]2c2ccccc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270617 598815343 /nfs/dbraw/zinc/81/53/43/598815343.db2.gz DTMXOADTAJTFQL-KRWDZBQOSA-N -1 3 381.443 3.927 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822229060 599295645 /nfs/dbraw/zinc/29/56/45/599295645.db2.gz LLSFYLGUBUAGBG-SECBINFHSA-N -1 3 380.330 3.670 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822229060 599295647 /nfs/dbraw/zinc/29/56/47/599295647.db2.gz LLSFYLGUBUAGBG-SECBINFHSA-N -1 3 380.330 3.670 20 0 GHADHM O=C([C@H]1C[C@]12CCCc1ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822916780 599311883 /nfs/dbraw/zinc/31/18/83/599311883.db2.gz DBKBSOKXYFJICM-QPPBQGQZSA-N -1 3 399.498 3.652 20 0 GHADHM O=C([C@H]1C[C@]12CCCc1ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822916780 599311887 /nfs/dbraw/zinc/31/18/87/599311887.db2.gz DBKBSOKXYFJICM-QPPBQGQZSA-N -1 3 399.498 3.652 20 0 GHADHM CCN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502648 599313263 /nfs/dbraw/zinc/31/32/63/599313263.db2.gz PIFDPEKBCIZKHQ-QXMHVHEDSA-N -1 3 376.445 3.543 20 0 GHADHM CCN(C(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502648 599313266 /nfs/dbraw/zinc/31/32/66/599313266.db2.gz PIFDPEKBCIZKHQ-QXMHVHEDSA-N -1 3 376.445 3.543 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140129 599323342 /nfs/dbraw/zinc/32/33/42/599323342.db2.gz YIBFMVWAGYMITJ-MAUKXSAKSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140129 599323344 /nfs/dbraw/zinc/32/33/44/599323344.db2.gz YIBFMVWAGYMITJ-MAUKXSAKSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@@H](S[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187505 599327868 /nfs/dbraw/zinc/32/78/68/599327868.db2.gz BHMDLRPOPRQXPG-PXAZEXFGSA-N -1 3 383.452 3.606 20 0 GHADHM C[C@@H](S[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187505 599327871 /nfs/dbraw/zinc/32/78/71/599327871.db2.gz BHMDLRPOPRQXPG-PXAZEXFGSA-N -1 3 383.452 3.606 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735797263 599329409 /nfs/dbraw/zinc/32/94/09/599329409.db2.gz NEPKVSIVDOQSAM-LSDHHAIUSA-N -1 3 375.542 3.992 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735797263 599329411 /nfs/dbraw/zinc/32/94/11/599329411.db2.gz NEPKVSIVDOQSAM-LSDHHAIUSA-N -1 3 375.542 3.992 20 0 GHADHM Cc1c(CSC(C)C)cccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737216270 599330151 /nfs/dbraw/zinc/33/01/51/599330151.db2.gz QHODUFGCSSSFIC-UHFFFAOYSA-N -1 3 396.520 3.867 20 0 GHADHM Cc1c(CSC(C)C)cccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737216270 599330152 /nfs/dbraw/zinc/33/01/52/599330152.db2.gz QHODUFGCSSSFIC-UHFFFAOYSA-N -1 3 396.520 3.867 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3ccccc3)no2)ccc1-c1nnn[n-]1 ZINC000737631491 599330982 /nfs/dbraw/zinc/33/09/82/599330982.db2.gz DWVNJFGUMRJVFY-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3ccccc3)no2)ccc1-c1nn[n-]n1 ZINC000737631491 599330985 /nfs/dbraw/zinc/33/09/85/599330985.db2.gz DWVNJFGUMRJVFY-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000736188556 599332810 /nfs/dbraw/zinc/33/28/10/599332810.db2.gz LCTOWHOQQRZQIM-CHWSQXEVSA-N -1 3 385.468 3.505 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000736188556 599332812 /nfs/dbraw/zinc/33/28/12/599332812.db2.gz LCTOWHOQQRZQIM-CHWSQXEVSA-N -1 3 385.468 3.505 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1 ZINC000735670970 599336565 /nfs/dbraw/zinc/33/65/65/599336565.db2.gz YXPWSYCYZNRFJK-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1 ZINC000735670970 599336568 /nfs/dbraw/zinc/33/65/68/599336568.db2.gz YXPWSYCYZNRFJK-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555317 599349705 /nfs/dbraw/zinc/34/97/05/599349705.db2.gz JBTKQAPVLFZSOG-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555317 599349708 /nfs/dbraw/zinc/34/97/08/599349708.db2.gz JBTKQAPVLFZSOG-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820777545 599369438 /nfs/dbraw/zinc/36/94/38/599369438.db2.gz SARWRDDLNMLFHH-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820777545 599369440 /nfs/dbraw/zinc/36/94/40/599369440.db2.gz SARWRDDLNMLFHH-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM O=C(N[C@H]1CC=CCC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000738019637 599381724 /nfs/dbraw/zinc/38/17/24/599381724.db2.gz KSHQKTVASHTSCI-AWEZNQCLSA-N -1 3 377.473 3.856 20 0 GHADHM O=C(N[C@H]1CC=CCC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000738019637 599381726 /nfs/dbraw/zinc/38/17/26/599381726.db2.gz KSHQKTVASHTSCI-AWEZNQCLSA-N -1 3 377.473 3.856 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415118 607372330 /nfs/dbraw/zinc/37/23/30/607372330.db2.gz RWMOSHYXZDDUAZ-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415118 607372332 /nfs/dbraw/zinc/37/23/32/607372332.db2.gz RWMOSHYXZDDUAZ-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1)N1CCCCC1 ZINC000738259325 599400480 /nfs/dbraw/zinc/40/04/80/599400480.db2.gz YSHLLCRMKQFWCV-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000738259325 599400482 /nfs/dbraw/zinc/40/04/82/599400482.db2.gz YSHLLCRMKQFWCV-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM C[C@H](Cc1ccccc1Cl)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820298873 599419256 /nfs/dbraw/zinc/41/92/56/599419256.db2.gz BXSOXTLAOMMYNE-CHWSQXEVSA-N -1 3 384.871 3.512 20 0 GHADHM C[C@H](Cc1ccccc1Cl)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820298873 599419258 /nfs/dbraw/zinc/41/92/58/599419258.db2.gz BXSOXTLAOMMYNE-CHWSQXEVSA-N -1 3 384.871 3.512 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359097 599419319 /nfs/dbraw/zinc/41/93/19/599419319.db2.gz RODNEAQRQOKWPP-MEDUHNTESA-N -1 3 398.467 3.603 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359097 599419321 /nfs/dbraw/zinc/41/93/21/599419321.db2.gz RODNEAQRQOKWPP-MEDUHNTESA-N -1 3 398.467 3.603 20 0 GHADHM CC(C)Oc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)c(C(F)(F)F)c1 ZINC000820155257 599424904 /nfs/dbraw/zinc/42/49/04/599424904.db2.gz MOCJAEWWHBQNLT-UHFFFAOYSA-N -1 3 381.358 3.556 20 0 GHADHM CC(C)Oc1ccc(CNCc2ccc(-c3nn[n-]n3)o2)c(C(F)(F)F)c1 ZINC000820155257 599424906 /nfs/dbraw/zinc/42/49/06/599424906.db2.gz MOCJAEWWHBQNLT-UHFFFAOYSA-N -1 3 381.358 3.556 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821431255 599431012 /nfs/dbraw/zinc/43/10/12/599431012.db2.gz NPEQQAWAGKYWKD-KSSFIOAISA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821431255 599431015 /nfs/dbraw/zinc/43/10/15/599431015.db2.gz NPEQQAWAGKYWKD-KSSFIOAISA-N -1 3 394.479 3.777 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccc(C)cc2)o1 ZINC000821752160 607377678 /nfs/dbraw/zinc/37/76/78/607377678.db2.gz HDFGVZXWQQZMEM-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccc(C)cc2)o1 ZINC000821752160 607377680 /nfs/dbraw/zinc/37/76/80/607377680.db2.gz HDFGVZXWQQZMEM-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820191958 599441193 /nfs/dbraw/zinc/44/11/93/599441193.db2.gz BXQVCSOMZNJZCC-MRXNPFEDSA-N -1 3 392.507 3.983 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820191958 599441195 /nfs/dbraw/zinc/44/11/95/599441195.db2.gz BXQVCSOMZNJZCC-MRXNPFEDSA-N -1 3 392.507 3.983 20 0 GHADHM C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[C@@H]1C ZINC000820710415 599444256 /nfs/dbraw/zinc/44/42/56/599444256.db2.gz QGXSOMBQSIVOEH-ZIAGYGMSSA-N -1 3 396.520 3.925 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2sccc2C)o1 ZINC000821752941 607379794 /nfs/dbraw/zinc/37/97/94/607379794.db2.gz WYEYKDXLRBAZPI-UHFFFAOYSA-N -1 3 386.462 3.588 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2sccc2C)o1 ZINC000821752941 607379796 /nfs/dbraw/zinc/37/97/96/607379796.db2.gz WYEYKDXLRBAZPI-UHFFFAOYSA-N -1 3 386.462 3.588 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000821104698 599455883 /nfs/dbraw/zinc/45/58/83/599455883.db2.gz NQFXSARQGMNIFR-HNNXBMFYSA-N -1 3 396.495 3.711 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000821104698 599455885 /nfs/dbraw/zinc/45/58/85/599455885.db2.gz NQFXSARQGMNIFR-HNNXBMFYSA-N -1 3 396.495 3.711 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC000820589655 599458128 /nfs/dbraw/zinc/45/81/28/599458128.db2.gz JQYFSRPGFPOPGR-GOSISDBHSA-N -1 3 394.454 3.618 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC000820589655 599458130 /nfs/dbraw/zinc/45/81/30/599458130.db2.gz JQYFSRPGFPOPGR-GOSISDBHSA-N -1 3 394.454 3.618 20 0 GHADHM CCC(CC)(CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820887374 599465553 /nfs/dbraw/zinc/46/55/53/599465553.db2.gz BDQOTLQXSZDWRW-UHFFFAOYSA-N -1 3 396.470 3.563 20 0 GHADHM CCC(CC)(CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820887374 599465556 /nfs/dbraw/zinc/46/55/56/599465556.db2.gz BDQOTLQXSZDWRW-UHFFFAOYSA-N -1 3 396.470 3.563 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736055967 599467715 /nfs/dbraw/zinc/46/77/15/599467715.db2.gz KDHGNZSTLZBGLG-UQTJOTSZSA-N -1 3 381.867 3.623 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736055967 599467717 /nfs/dbraw/zinc/46/77/17/599467717.db2.gz KDHGNZSTLZBGLG-UQTJOTSZSA-N -1 3 381.867 3.623 20 0 GHADHM C[C@@H](NC(=O)NCCc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366940 599478435 /nfs/dbraw/zinc/47/84/35/599478435.db2.gz QEWMWPSTKFFMGX-OAHLLOKOSA-N -1 3 386.459 3.623 20 0 GHADHM C[C@@H](NC(=O)NCCc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366940 599478438 /nfs/dbraw/zinc/47/84/38/599478438.db2.gz QEWMWPSTKFFMGX-OAHLLOKOSA-N -1 3 386.459 3.623 20 0 GHADHM Cc1ccccc1C1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCOCC1 ZINC000822351005 599493095 /nfs/dbraw/zinc/49/30/95/599493095.db2.gz JCJKEVFLJRRRCD-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM Cc1ccccc1C1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCOCC1 ZINC000822351005 599493098 /nfs/dbraw/zinc/49/30/98/599493098.db2.gz JCJKEVFLJRRRCD-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735984843 599500865 /nfs/dbraw/zinc/50/08/65/599500865.db2.gz HGBATTYSYWIIIV-JTQLQIEISA-N -1 3 382.415 3.804 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735984843 599500868 /nfs/dbraw/zinc/50/08/68/599500868.db2.gz HGBATTYSYWIIIV-JTQLQIEISA-N -1 3 382.415 3.804 20 0 GHADHM C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736134303 599507853 /nfs/dbraw/zinc/50/78/53/599507853.db2.gz BGBCTCFDBZAZEO-SECBINFHSA-N -1 3 377.235 3.613 20 0 GHADHM C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736134303 599507855 /nfs/dbraw/zinc/50/78/55/599507855.db2.gz BGBCTCFDBZAZEO-SECBINFHSA-N -1 3 377.235 3.613 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1COc2ccccc2C1 ZINC000737627296 599519626 /nfs/dbraw/zinc/51/96/26/599519626.db2.gz OUOLZHYGIPJZQB-NSHDSACASA-N -1 3 375.354 3.549 20 0 GHADHM CCCOc1ncccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736493567 599522587 /nfs/dbraw/zinc/52/25/87/599522587.db2.gz XOZILDZFKOKJQC-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322459 599525970 /nfs/dbraw/zinc/52/59/70/599525970.db2.gz SVKFHGMBUBCTDF-IDVQTMNDSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322459 599525974 /nfs/dbraw/zinc/52/59/74/599525974.db2.gz SVKFHGMBUBCTDF-IDVQTMNDSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820334984 599531253 /nfs/dbraw/zinc/53/12/53/599531253.db2.gz SAMMMTBLPHTNJT-ZDUSSCGKSA-N -1 3 387.443 3.522 20 0 GHADHM C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820334984 599531255 /nfs/dbraw/zinc/53/12/55/599531255.db2.gz SAMMMTBLPHTNJT-ZDUSSCGKSA-N -1 3 387.443 3.522 20 0 GHADHM C[C@H](NC(=O)c1sccc1SC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820403776 599531326 /nfs/dbraw/zinc/53/13/26/599531326.db2.gz MIRPQVKLAGWYJJ-QMMMGPOBSA-N -1 3 381.433 3.734 20 0 GHADHM C[C@H](NC(=O)c1sccc1SC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820403776 599531327 /nfs/dbraw/zinc/53/13/27/599531327.db2.gz MIRPQVKLAGWYJJ-QMMMGPOBSA-N -1 3 381.433 3.734 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000819965648 599556415 /nfs/dbraw/zinc/55/64/15/599556415.db2.gz LKWZUTWZIXXICR-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000819965648 599556417 /nfs/dbraw/zinc/55/64/17/599556417.db2.gz LKWZUTWZIXXICR-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332857 599558042 /nfs/dbraw/zinc/55/80/42/599558042.db2.gz WRCGBPWGYHUJOE-HRAATJIYSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332902 599558467 /nfs/dbraw/zinc/55/84/67/599558467.db2.gz XQILGXOBZKTUJC-HRAATJIYSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332902 599558470 /nfs/dbraw/zinc/55/84/70/599558470.db2.gz XQILGXOBZKTUJC-HRAATJIYSA-N -1 3 375.476 3.717 20 0 GHADHM CCN(Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230778 599567006 /nfs/dbraw/zinc/56/70/06/599567006.db2.gz RADUIQYYZXGZER-HNNXBMFYSA-N -1 3 391.454 3.775 20 0 GHADHM Cc1ccc([C@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)o1 ZINC000822233419 599579772 /nfs/dbraw/zinc/57/97/72/599579772.db2.gz OLZJXDFHHDMAPP-GFCCVEGCSA-N -1 3 378.358 3.914 20 0 GHADHM Cc1ccc([C@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)o1 ZINC000822233419 599579773 /nfs/dbraw/zinc/57/97/73/599579773.db2.gz OLZJXDFHHDMAPP-GFCCVEGCSA-N -1 3 378.358 3.914 20 0 GHADHM CC[C@@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736389719 599598653 /nfs/dbraw/zinc/59/86/53/599598653.db2.gz DAOYQTMMDNDPFS-QGZVFWFLSA-N -1 3 385.468 3.507 20 0 GHADHM CC[C@@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736389719 599598654 /nfs/dbraw/zinc/59/86/54/599598654.db2.gz DAOYQTMMDNDPFS-QGZVFWFLSA-N -1 3 385.468 3.507 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736331460 599611255 /nfs/dbraw/zinc/61/12/55/599611255.db2.gz PENIPWBOGMHFPM-FZMZJTMJSA-N -1 3 394.426 3.901 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736331460 599611256 /nfs/dbraw/zinc/61/12/56/599611256.db2.gz PENIPWBOGMHFPM-FZMZJTMJSA-N -1 3 394.426 3.901 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737328647 599612915 /nfs/dbraw/zinc/61/29/15/599612915.db2.gz GPTAOIUARSOBGV-UZLBHIALSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737328647 599612917 /nfs/dbraw/zinc/61/29/17/599612917.db2.gz GPTAOIUARSOBGV-UZLBHIALSA-N -1 3 390.491 3.858 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000820288673 599624337 /nfs/dbraw/zinc/62/43/37/599624337.db2.gz WSBGCPGNMNOQKB-STQMWFEESA-N -1 3 386.839 3.634 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000820288673 599624338 /nfs/dbraw/zinc/62/43/38/599624338.db2.gz WSBGCPGNMNOQKB-STQMWFEESA-N -1 3 386.839 3.634 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821390435 599629512 /nfs/dbraw/zinc/62/95/12/599629512.db2.gz XNYXMXDCCXUMCI-UHFFFAOYSA-N -1 3 383.427 3.707 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821390435 599629513 /nfs/dbraw/zinc/62/95/13/599629513.db2.gz XNYXMXDCCXUMCI-UHFFFAOYSA-N -1 3 383.427 3.707 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)O1 ZINC000820686080 599630315 /nfs/dbraw/zinc/63/03/15/599630315.db2.gz WYTBWDZXWVCDJH-SJLPKXTDSA-N -1 3 391.475 3.748 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)O1 ZINC000820686080 599630316 /nfs/dbraw/zinc/63/03/16/599630316.db2.gz WYTBWDZXWVCDJH-SJLPKXTDSA-N -1 3 391.475 3.748 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)s1 ZINC000821466781 599630454 /nfs/dbraw/zinc/63/04/54/599630454.db2.gz ZOHDRNNWLCOGHO-HUBLWGQQSA-N -1 3 377.514 3.803 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)s1 ZINC000821466781 599630455 /nfs/dbraw/zinc/63/04/55/599630455.db2.gz ZOHDRNNWLCOGHO-HUBLWGQQSA-N -1 3 377.514 3.803 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000821401321 599630460 /nfs/dbraw/zinc/63/04/60/599630460.db2.gz VXFYNQVBXSEMSC-QRTARXTBSA-N -1 3 387.484 3.578 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000821401321 599630461 /nfs/dbraw/zinc/63/04/61/599630461.db2.gz VXFYNQVBXSEMSC-QRTARXTBSA-N -1 3 387.484 3.578 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC3CCC3)cc2)c1-c1nnn[n-]1 ZINC000821465302 599630652 /nfs/dbraw/zinc/63/06/52/599630652.db2.gz FLNXLQKHHFNOBK-UHFFFAOYSA-N -1 3 383.477 3.983 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC3CCC3)cc2)c1-c1nn[n-]n1 ZINC000821465302 599630653 /nfs/dbraw/zinc/63/06/53/599630653.db2.gz FLNXLQKHHFNOBK-UHFFFAOYSA-N -1 3 383.477 3.983 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819892146 599632391 /nfs/dbraw/zinc/63/23/91/599632391.db2.gz WODPOGOTDXYNDO-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819892146 599632392 /nfs/dbraw/zinc/63/23/92/599632392.db2.gz WODPOGOTDXYNDO-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)c2n1 ZINC000822280017 599633012 /nfs/dbraw/zinc/63/30/12/599633012.db2.gz HKZCAQDDLKJIEW-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)c2n1 ZINC000822280017 599633013 /nfs/dbraw/zinc/63/30/13/599633013.db2.gz HKZCAQDDLKJIEW-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821858923 599633769 /nfs/dbraw/zinc/63/37/69/599633769.db2.gz IPEXXTXRDBHUMB-JTQLQIEISA-N -1 3 391.353 3.636 20 0 GHADHM COc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821858923 599633770 /nfs/dbraw/zinc/63/37/70/599633770.db2.gz IPEXXTXRDBHUMB-JTQLQIEISA-N -1 3 391.353 3.636 20 0 GHADHM CCCC[C@@H](CC)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821039842 599662146 /nfs/dbraw/zinc/66/21/46/599662146.db2.gz HPXQUFPPUYGLTG-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCC[C@@H](CC)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821039842 599662147 /nfs/dbraw/zinc/66/21/47/599662147.db2.gz HPXQUFPPUYGLTG-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348127 599673710 /nfs/dbraw/zinc/67/37/10/599673710.db2.gz ADDPHTYEBSBVIL-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348127 599673711 /nfs/dbraw/zinc/67/37/11/599673711.db2.gz ADDPHTYEBSBVIL-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351459 599673753 /nfs/dbraw/zinc/67/37/53/599673753.db2.gz PHLMWTWCRSKBIV-HNNXBMFYSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351459 599673754 /nfs/dbraw/zinc/67/37/54/599673754.db2.gz PHLMWTWCRSKBIV-HNNXBMFYSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2ccccc2s1 ZINC000820368235 599674644 /nfs/dbraw/zinc/67/46/44/599674644.db2.gz YJMFGQRBOHZNLF-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2ccccc2s1 ZINC000820368235 599674645 /nfs/dbraw/zinc/67/46/45/599674645.db2.gz YJMFGQRBOHZNLF-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823146633 599676858 /nfs/dbraw/zinc/67/68/58/599676858.db2.gz XLPCHOMBGNNJCD-MOPGFXCFSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823146633 599676859 /nfs/dbraw/zinc/67/68/59/599676859.db2.gz XLPCHOMBGNNJCD-MOPGFXCFSA-N -1 3 380.496 3.510 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351214 599681927 /nfs/dbraw/zinc/68/19/27/599681927.db2.gz MZZLPLFNDUXKCI-HNAYVOBHSA-N -1 3 391.479 3.650 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351214 599681928 /nfs/dbraw/zinc/68/19/28/599681928.db2.gz MZZLPLFNDUXKCI-HNAYVOBHSA-N -1 3 391.479 3.650 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096692 599691323 /nfs/dbraw/zinc/69/13/23/599691323.db2.gz FOEBIMIRZTZGSW-STQMWFEESA-N -1 3 388.497 3.978 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096692 599691324 /nfs/dbraw/zinc/69/13/24/599691324.db2.gz FOEBIMIRZTZGSW-STQMWFEESA-N -1 3 388.497 3.978 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096691 599691373 /nfs/dbraw/zinc/69/13/73/599691373.db2.gz FOEBIMIRZTZGSW-QWHCGFSZSA-N -1 3 388.497 3.978 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096691 599691374 /nfs/dbraw/zinc/69/13/74/599691374.db2.gz FOEBIMIRZTZGSW-QWHCGFSZSA-N -1 3 388.497 3.978 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822935472 599697905 /nfs/dbraw/zinc/69/79/05/599697905.db2.gz LYFBGSRHOKRMJW-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822935472 599697906 /nfs/dbraw/zinc/69/79/06/599697906.db2.gz LYFBGSRHOKRMJW-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000736274058 599713893 /nfs/dbraw/zinc/71/38/93/599713893.db2.gz QJSBQDHYAHXTJA-CVEARBPZSA-N -1 3 378.469 3.732 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000826252626 607389922 /nfs/dbraw/zinc/38/99/22/607389922.db2.gz LCMUEOKZJWBUQE-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000826252626 607389924 /nfs/dbraw/zinc/38/99/24/607389924.db2.gz LCMUEOKZJWBUQE-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820160971 607400380 /nfs/dbraw/zinc/40/03/80/607400380.db2.gz RCSFCBBSZVYRHM-HZPDHXFCSA-N -1 3 381.411 3.535 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820160971 607400381 /nfs/dbraw/zinc/40/03/81/607400381.db2.gz RCSFCBBSZVYRHM-HZPDHXFCSA-N -1 3 381.411 3.535 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(C(=O)Nc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000737971558 599859152 /nfs/dbraw/zinc/85/91/52/599859152.db2.gz RWQJNYASVJLPIS-OAQYLSRUSA-N -1 3 390.439 3.863 20 0 GHADHM CS[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821944050 607402583 /nfs/dbraw/zinc/40/25/83/607402583.db2.gz ZOOXQTVRZVMBQH-QGZVFWFLSA-N -1 3 383.477 3.697 20 0 GHADHM CS[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821944050 607402584 /nfs/dbraw/zinc/40/25/84/607402584.db2.gz ZOOXQTVRZVMBQH-QGZVFWFLSA-N -1 3 383.477 3.697 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)oc2c1c(C)ccc2C ZINC000826284840 607427831 /nfs/dbraw/zinc/42/78/31/607427831.db2.gz HRXVEJLHTLASJN-UHFFFAOYSA-N -1 3 387.443 3.957 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)oc2c1c(C)ccc2C ZINC000826284840 607427833 /nfs/dbraw/zinc/42/78/33/607427833.db2.gz HRXVEJLHTLASJN-UHFFFAOYSA-N -1 3 387.443 3.957 20 0 GHADHM Cc1sc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000826349511 607428741 /nfs/dbraw/zinc/42/87/41/607428741.db2.gz KFOCBZQKNBRKAT-UHFFFAOYSA-N -1 3 397.382 3.625 20 0 GHADHM Cc1sc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000826349511 607428743 /nfs/dbraw/zinc/42/87/43/607428743.db2.gz KFOCBZQKNBRKAT-UHFFFAOYSA-N -1 3 397.382 3.625 20 0 GHADHM COc1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@@H](C)C2CC2)cc1 ZINC000826192702 607430572 /nfs/dbraw/zinc/43/05/72/607430572.db2.gz XOEWIBRKBCHEKY-HNNXBMFYSA-N -1 3 391.475 3.625 20 0 GHADHM COc1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@@H](C)C2CC2)cc1 ZINC000826192702 607430573 /nfs/dbraw/zinc/43/05/73/607430573.db2.gz XOEWIBRKBCHEKY-HNNXBMFYSA-N -1 3 391.475 3.625 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000820165349 607430713 /nfs/dbraw/zinc/43/07/13/607430713.db2.gz OXPOWWUMCQNICF-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1-c1nn[n-]n1 ZINC000820165349 607430714 /nfs/dbraw/zinc/43/07/14/607430714.db2.gz OXPOWWUMCQNICF-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812871 607436856 /nfs/dbraw/zinc/43/68/56/607436856.db2.gz WMWMEUNXZDWLGX-UONOGXRCSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812871 607436858 /nfs/dbraw/zinc/43/68/58/607436858.db2.gz WMWMEUNXZDWLGX-UONOGXRCSA-N -1 3 388.258 3.940 20 0 GHADHM O=C([O-])CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000739794142 600400837 /nfs/dbraw/zinc/40/08/37/600400837.db2.gz UOVGPPXWTAUPEA-XMMPIXPASA-N -1 3 386.300 3.688 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737873 607441346 /nfs/dbraw/zinc/44/13/46/607441346.db2.gz KSGMOQDRMXWFTO-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737873 607441347 /nfs/dbraw/zinc/44/13/47/607441347.db2.gz KSGMOQDRMXWFTO-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000739484481 600404654 /nfs/dbraw/zinc/40/46/54/600404654.db2.gz VYRWVERWYVQQJL-SFHVURJKSA-N -1 3 390.842 3.956 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(Cl)c1 ZINC000739468112 600432778 /nfs/dbraw/zinc/43/27/78/600432778.db2.gz FXBNTZBXGVYUMO-IBGZPJMESA-N -1 3 395.846 3.903 20 0 GHADHM O=C([O-])CCCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000739687778 600496060 /nfs/dbraw/zinc/49/60/60/600496060.db2.gz VSUFLORWEFXEJG-UHFFFAOYSA-N -1 3 382.460 3.778 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264580 607455797 /nfs/dbraw/zinc/45/57/97/607455797.db2.gz SVEHPJVTJDRSBE-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264580 607455798 /nfs/dbraw/zinc/45/57/98/607455798.db2.gz SVEHPJVTJDRSBE-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM COc1cccc2c1OC[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C2 ZINC000832576982 600746692 /nfs/dbraw/zinc/74/66/92/600746692.db2.gz ARMBMHUHIRBPAI-BLLLJJGKSA-N -1 3 382.243 3.721 20 0 GHADHM CN(C)Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)c1 ZINC000737370677 600802075 /nfs/dbraw/zinc/80/20/75/600802075.db2.gz POORHGVZLYCMJT-UHFFFAOYSA-N -1 3 395.484 3.751 20 0 GHADHM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830500094 601129284 /nfs/dbraw/zinc/12/92/84/601129284.db2.gz JBFXQWLJXNAIDM-LJQANCHMSA-N -1 3 382.464 3.905 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000832914160 601500438 /nfs/dbraw/zinc/50/04/38/601500438.db2.gz BQXCSIHBJSOPFZ-IRXDYDNUSA-N -1 3 395.503 3.971 20 0 GHADHM C[C@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)C[C@@H]1C(=O)[O-] ZINC000828465952 601517032 /nfs/dbraw/zinc/51/70/32/601517032.db2.gz ZFHCVFTXQGYKIC-HZMBPMFUSA-N -1 3 381.295 3.725 20 0 GHADHM CC[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000828988893 601852812 /nfs/dbraw/zinc/85/28/12/601852812.db2.gz JFAVVBRIZYBUJM-SFHVURJKSA-N -1 3 395.908 3.580 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Br)cc3cccnc31)CC2 ZINC000582490586 601862930 /nfs/dbraw/zinc/86/29/30/601862930.db2.gz IOWIEDQGCXRFEA-HNNXBMFYSA-N -1 3 375.266 3.684 20 0 GHADHM CCc1ncsc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825754943 607538853 /nfs/dbraw/zinc/53/88/53/607538853.db2.gz KTJBEEZCZFSTRE-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncsc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825754943 607538855 /nfs/dbraw/zinc/53/88/55/607538855.db2.gz KTJBEEZCZFSTRE-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM COCc1cccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000826164806 607549158 /nfs/dbraw/zinc/54/91/58/607549158.db2.gz RAXKHPHMFCSKKS-UHFFFAOYSA-N -1 3 388.431 3.813 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)ccc21 ZINC000740468845 602280843 /nfs/dbraw/zinc/28/08/43/602280843.db2.gz DKNIHQDGQYCZSP-LJQANCHMSA-N -1 3 394.475 3.513 20 0 GHADHM CN(CC1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1)C(=O)[O-] ZINC000739665961 602384221 /nfs/dbraw/zinc/38/42/21/602384221.db2.gz PUERSKACDVSURM-UHFFFAOYSA-N -1 3 381.476 3.761 20 0 GHADHM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000738817706 602407089 /nfs/dbraw/zinc/40/70/89/602407089.db2.gz SUUFBAQCQJKRDE-WBVHZDCISA-N -1 3 390.459 3.943 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736815767 602920436 /nfs/dbraw/zinc/92/04/36/602920436.db2.gz XFCGFERCDQHWAV-INIZCTEOSA-N -1 3 382.464 3.905 20 0 GHADHM CC(C)c1ccc([C@@H](CNC(=O)c2cccc(CN(C)C)c2)NC(=O)[O-])cc1 ZINC000738881139 603102194 /nfs/dbraw/zinc/10/21/94/603102194.db2.gz DDYSMFFRPVMDPD-HXUWFJFHSA-N -1 3 383.492 3.610 20 0 GHADHM CCN(Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000739449528 603352561 /nfs/dbraw/zinc/35/25/61/603352561.db2.gz XLNYIYBVCOFWRK-LJQANCHMSA-N -1 3 384.480 3.611 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000826182094 607642817 /nfs/dbraw/zinc/64/28/17/607642817.db2.gz ZRNVBYSPJLYESR-LBPRGKRZSA-N -1 3 380.477 3.678 20 0 GHADHM Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)nc1 ZINC000826288178 607643059 /nfs/dbraw/zinc/64/30/59/607643059.db2.gz UXOXRBBRFSRJJX-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825139162 607644072 /nfs/dbraw/zinc/64/40/72/607644072.db2.gz CLZYHHFOUCKLLH-MRXNPFEDSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825139162 607644074 /nfs/dbraw/zinc/64/40/74/607644074.db2.gz CLZYHHFOUCKLLH-MRXNPFEDSA-N -1 3 390.472 3.871 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000826250304 607653884 /nfs/dbraw/zinc/65/38/84/607653884.db2.gz UXHDNTNWBBMAJS-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000826250304 607653886 /nfs/dbraw/zinc/65/38/86/607653886.db2.gz UXHDNTNWBBMAJS-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000826244928 607662175 /nfs/dbraw/zinc/66/21/75/607662175.db2.gz HZVBLAYTCCYTSF-INIZCTEOSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000826244928 607662177 /nfs/dbraw/zinc/66/21/77/607662177.db2.gz HZVBLAYTCCYTSF-INIZCTEOSA-N -1 3 397.866 3.512 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000825794284 603992898 /nfs/dbraw/zinc/99/28/98/603992898.db2.gz IQSWIQGEPPEYPK-BBRMVZONSA-N -1 3 386.427 3.700 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826316726 607671426 /nfs/dbraw/zinc/67/14/26/607671426.db2.gz WVGDGLHZNDCCAD-UONOGXRCSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826316726 607671428 /nfs/dbraw/zinc/67/14/28/607671428.db2.gz WVGDGLHZNDCCAD-UONOGXRCSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826316668 607675798 /nfs/dbraw/zinc/67/57/98/607675798.db2.gz VCPXCHRPIBNCSB-DLBZAZTESA-N -1 3 381.505 3.777 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826316668 607675800 /nfs/dbraw/zinc/67/58/00/607675800.db2.gz VCPXCHRPIBNCSB-DLBZAZTESA-N -1 3 381.505 3.777 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000826243310 607685062 /nfs/dbraw/zinc/68/50/62/607685062.db2.gz CNAXQHFPCQFLKH-HNNXBMFYSA-N -1 3 375.354 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000826243310 607685063 /nfs/dbraw/zinc/68/50/63/607685063.db2.gz CNAXQHFPCQFLKH-HNNXBMFYSA-N -1 3 375.354 3.551 20 0 GHADHM Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000829858848 604375974 /nfs/dbraw/zinc/37/59/74/604375974.db2.gz FUVJDYQYJBUSNV-GVZPALNKSA-N -1 3 389.887 3.553 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000825397259 604454001 /nfs/dbraw/zinc/45/40/01/604454001.db2.gz ISJREQDXGUQAET-MRXNPFEDSA-N -1 3 381.476 3.541 20 0 GHADHM CCCN1CCN(c2ccccc2CNc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000829508479 604643267 /nfs/dbraw/zinc/64/32/67/604643267.db2.gz SYOCSMXDTYVIRP-UHFFFAOYSA-N -1 3 382.508 3.945 20 0 GHADHM CCN(C(=O)CCc1ccc(F)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372213 607705401 /nfs/dbraw/zinc/70/54/01/607705401.db2.gz SCOUJTQMHZKJDM-ZDUSSCGKSA-N -1 3 385.418 3.687 20 0 GHADHM CCN(C(=O)CCc1ccc(F)cc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372213 607705402 /nfs/dbraw/zinc/70/54/02/607705402.db2.gz SCOUJTQMHZKJDM-ZDUSSCGKSA-N -1 3 385.418 3.687 20 0 GHADHM COc1ccc(C[C@@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccc(OC)cc2)cc1 ZINC000832287284 604987536 /nfs/dbraw/zinc/98/75/36/604987536.db2.gz LVKBKOSLWNAGQB-FGZHOGPDSA-N -1 3 392.455 3.798 20 0 GHADHM CC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c2ccccc21 ZINC000833392722 605261242 /nfs/dbraw/zinc/26/12/42/605261242.db2.gz FDDFUWKRGZHDQM-WMZOPIPTSA-N -1 3 392.377 3.919 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833550308 605281934 /nfs/dbraw/zinc/28/19/34/605281934.db2.gz WDSDJLDWMWNMSW-XJKSGUPXSA-N -1 3 386.427 3.873 20 0 GHADHM CCN(C[C@@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1)CC(F)(F)F ZINC000833654184 605377678 /nfs/dbraw/zinc/37/76/78/605377678.db2.gz FSAACQDBQXPVQC-XHDPSFHLSA-N -1 3 396.812 3.811 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824915115 607758191 /nfs/dbraw/zinc/75/81/91/607758191.db2.gz BEAIKYKNCHORSE-LPMFXHHGSA-N -1 3 376.464 3.866 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824915115 607758192 /nfs/dbraw/zinc/75/81/92/607758192.db2.gz BEAIKYKNCHORSE-LPMFXHHGSA-N -1 3 376.464 3.866 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128226 607761840 /nfs/dbraw/zinc/76/18/40/607761840.db2.gz RYMAOQRYLMQXIY-WMLDXEAASA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128226 607761841 /nfs/dbraw/zinc/76/18/41/607761841.db2.gz RYMAOQRYLMQXIY-WMLDXEAASA-N -1 3 396.520 3.798 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccs1 ZINC000824051795 607768564 /nfs/dbraw/zinc/76/85/64/607768564.db2.gz FBZLWHLADNLJDT-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccs1 ZINC000824051795 607768565 /nfs/dbraw/zinc/76/85/65/607768565.db2.gz FBZLWHLADNLJDT-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1F ZINC000824052534 607769354 /nfs/dbraw/zinc/76/93/54/607769354.db2.gz PCCKGHKEGOSNNG-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1F ZINC000824052534 607769355 /nfs/dbraw/zinc/76/93/55/607769355.db2.gz PCCKGHKEGOSNNG-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc2c1CCC2 ZINC000826459702 607769914 /nfs/dbraw/zinc/76/99/14/607769914.db2.gz VPJWBTQFTXWYDR-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc2c1CCC2 ZINC000826459702 607769915 /nfs/dbraw/zinc/76/99/15/607769915.db2.gz VPJWBTQFTXWYDR-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423206 607770962 /nfs/dbraw/zinc/77/09/62/607770962.db2.gz CWOFXTANHJVREU-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423206 607770963 /nfs/dbraw/zinc/77/09/63/607770963.db2.gz CWOFXTANHJVREU-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824917328 607772040 /nfs/dbraw/zinc/77/20/40/607772040.db2.gz NOOJKAHSIKPALV-FZKQIMNGSA-N -1 3 379.489 3.714 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917328 607772041 /nfs/dbraw/zinc/77/20/41/607772041.db2.gz NOOJKAHSIKPALV-FZKQIMNGSA-N -1 3 379.489 3.714 20 0 GHADHM O=C([O-])N1CC[C@]2(C1)C[C@H](NCCSCC(F)(F)F)c1ccccc1O2 ZINC000834085662 605856409 /nfs/dbraw/zinc/85/64/09/605856409.db2.gz MIZKLOYWDMAKIK-XJKSGUPXSA-N -1 3 390.427 3.518 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821457446 606018691 /nfs/dbraw/zinc/01/86/91/606018691.db2.gz WSZFLCKHDCIGOA-ZIAGYGMSSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821457446 606018699 /nfs/dbraw/zinc/01/86/99/606018699.db2.gz WSZFLCKHDCIGOA-ZIAGYGMSSA-N -1 3 391.545 3.609 20 0 GHADHM Cc1nnc(NCC[C@H](C)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000822515811 606041875 /nfs/dbraw/zinc/04/18/75/606041875.db2.gz PWMXJKYGHXCNKN-JTQLQIEISA-N -1 3 391.401 3.898 20 0 GHADHM Cc1nnc(NCC[C@H](C)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000822515811 606041879 /nfs/dbraw/zinc/04/18/79/606041879.db2.gz PWMXJKYGHXCNKN-JTQLQIEISA-N -1 3 391.401 3.898 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000820529988 606065058 /nfs/dbraw/zinc/06/50/58/606065058.db2.gz UFDYVVWJEJAPMG-NSHDSACASA-N -1 3 398.854 3.500 20 0 GHADHM FC(F)(F)c1csc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000822728958 606097530 /nfs/dbraw/zinc/09/75/30/606097530.db2.gz OMRVUYITGXZEFG-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM FC(F)(F)c1csc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000822728958 606097532 /nfs/dbraw/zinc/09/75/32/606097532.db2.gz OMRVUYITGXZEFG-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(CSC)c1 ZINC000821412601 606107118 /nfs/dbraw/zinc/10/71/18/606107118.db2.gz PTNSJGRLUGFYCP-UHFFFAOYSA-N -1 3 387.440 3.520 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(CSC)c1 ZINC000821412601 606107120 /nfs/dbraw/zinc/10/71/20/606107120.db2.gz PTNSJGRLUGFYCP-UHFFFAOYSA-N -1 3 387.440 3.520 20 0 GHADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1sccc1-c1nnn[n-]1 ZINC000823196876 606109410 /nfs/dbraw/zinc/10/94/10/606109410.db2.gz LNFBIIZJNUPHIW-UHFFFAOYSA-N -1 3 382.276 3.598 20 0 GHADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1sccc1-c1nn[n-]n1 ZINC000823196876 606109411 /nfs/dbraw/zinc/10/94/11/606109411.db2.gz LNFBIIZJNUPHIW-UHFFFAOYSA-N -1 3 382.276 3.598 20 0 GHADHM C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820225415 606134094 /nfs/dbraw/zinc/13/40/94/606134094.db2.gz IHWNROLBTPRCNK-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820225415 606134096 /nfs/dbraw/zinc/13/40/96/606134096.db2.gz IHWNROLBTPRCNK-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820570322 606159215 /nfs/dbraw/zinc/15/92/15/606159215.db2.gz HDERPSDGQHWNDU-CQSZACIVSA-N -1 3 396.495 3.757 20 0 GHADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820570322 606159216 /nfs/dbraw/zinc/15/92/16/606159216.db2.gz HDERPSDGQHWNDU-CQSZACIVSA-N -1 3 396.495 3.757 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000822655653 606217355 /nfs/dbraw/zinc/21/73/55/606217355.db2.gz RKKXKRHJEVMOMX-UHFFFAOYSA-N -1 3 376.445 3.609 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000822655653 606217356 /nfs/dbraw/zinc/21/73/56/606217356.db2.gz RKKXKRHJEVMOMX-UHFFFAOYSA-N -1 3 376.445 3.609 20 0 GHADHM CC(C)Sc1c(Cl)cccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820183475 606255953 /nfs/dbraw/zinc/25/59/53/606255953.db2.gz DWORHFVYVHBNJA-UHFFFAOYSA-N -1 3 376.873 3.611 20 0 GHADHM CC(C)Sc1c(Cl)cccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820183475 606255954 /nfs/dbraw/zinc/25/59/54/606255954.db2.gz DWORHFVYVHBNJA-UHFFFAOYSA-N -1 3 376.873 3.611 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000820386368 606258752 /nfs/dbraw/zinc/25/87/52/606258752.db2.gz YMAFWGZBHWQNEA-GFCCVEGCSA-N -1 3 392.394 3.617 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000820386368 606258753 /nfs/dbraw/zinc/25/87/53/606258753.db2.gz YMAFWGZBHWQNEA-GFCCVEGCSA-N -1 3 392.394 3.617 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822418896 606263180 /nfs/dbraw/zinc/26/31/80/606263180.db2.gz ITHUUWUXYYGOIE-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822418896 606263182 /nfs/dbraw/zinc/26/31/82/606263182.db2.gz ITHUUWUXYYGOIE-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820299685 606264609 /nfs/dbraw/zinc/26/46/09/606264609.db2.gz JDSXDMKINFNRCA-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820299685 606264611 /nfs/dbraw/zinc/26/46/11/606264611.db2.gz JDSXDMKINFNRCA-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820536475 606266179 /nfs/dbraw/zinc/26/61/79/606266179.db2.gz USGISVFASHOAHL-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820536475 606266181 /nfs/dbraw/zinc/26/61/81/606266181.db2.gz USGISVFASHOAHL-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(COc2ccc(F)cc2)o1 ZINC000823346337 606267163 /nfs/dbraw/zinc/26/71/63/606267163.db2.gz LUYCGIZQGIXZBQ-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000823346337 606267164 /nfs/dbraw/zinc/26/71/64/606267164.db2.gz LUYCGIZQGIXZBQ-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823488874 606279582 /nfs/dbraw/zinc/27/95/82/606279582.db2.gz WYCBBNBSDDZTOI-RHSMWYFYSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823488874 606279583 /nfs/dbraw/zinc/27/95/83/606279583.db2.gz WYCBBNBSDDZTOI-RHSMWYFYSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823488873 606279740 /nfs/dbraw/zinc/27/97/40/606279740.db2.gz WYCBBNBSDDZTOI-PBHICJAKSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823488873 606279741 /nfs/dbraw/zinc/27/97/41/606279741.db2.gz WYCBBNBSDDZTOI-PBHICJAKSA-N -1 3 377.473 3.642 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821951461 606290932 /nfs/dbraw/zinc/29/09/32/606290932.db2.gz YZXSYDXVLHYDJU-UHFFFAOYSA-N -1 3 399.545 3.889 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821951461 606290935 /nfs/dbraw/zinc/29/09/35/606290935.db2.gz YZXSYDXVLHYDJU-UHFFFAOYSA-N -1 3 399.545 3.889 20 0 GHADHM C[C@@H](S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccs1 ZINC000820548863 606312402 /nfs/dbraw/zinc/31/24/02/606312402.db2.gz GZARKTBUVCIAGS-BXKDBHETSA-N -1 3 377.520 3.589 20 0 GHADHM C[C@@H](S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1cccs1 ZINC000820548863 606312403 /nfs/dbraw/zinc/31/24/03/606312403.db2.gz GZARKTBUVCIAGS-BXKDBHETSA-N -1 3 377.520 3.589 20 0 GHADHM Cc1ccc(C)c(CS[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822232216 606313329 /nfs/dbraw/zinc/31/33/29/606313329.db2.gz XLDBKRVPXKDLDC-OAHLLOKOSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1ccc(C)c(CS[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822232216 606313331 /nfs/dbraw/zinc/31/33/31/606313331.db2.gz XLDBKRVPXKDLDC-OAHLLOKOSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1ccncc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822378614 606320539 /nfs/dbraw/zinc/32/05/39/606320539.db2.gz BXQQSTUOHRWRHJ-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccncc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822378614 606320540 /nfs/dbraw/zinc/32/05/40/606320540.db2.gz BXQQSTUOHRWRHJ-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM COc1ccc(NC(=O)[C@@H](Sc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821831823 606324417 /nfs/dbraw/zinc/32/44/17/606324417.db2.gz OCNRETNTBGGDCR-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccc(NC(=O)[C@@H](Sc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821831823 606324419 /nfs/dbraw/zinc/32/44/19/606324419.db2.gz OCNRETNTBGGDCR-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1Cl ZINC000823071036 606326229 /nfs/dbraw/zinc/32/62/29/606326229.db2.gz YMCWODREBXTGTR-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1Cl ZINC000823071036 606326231 /nfs/dbraw/zinc/32/62/31/606326231.db2.gz YMCWODREBXTGTR-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535628 606343205 /nfs/dbraw/zinc/34/32/05/606343205.db2.gz YRPSTJYRZRSFAK-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535628 606343206 /nfs/dbraw/zinc/34/32/06/606343206.db2.gz YRPSTJYRZRSFAK-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000820380079 606350205 /nfs/dbraw/zinc/35/02/05/606350205.db2.gz KYEIURGBXFXRNU-NSHDSACASA-N -1 3 393.382 3.544 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000820380079 606350206 /nfs/dbraw/zinc/35/02/06/606350206.db2.gz KYEIURGBXFXRNU-NSHDSACASA-N -1 3 393.382 3.544 20 0 GHADHM C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518633 606351139 /nfs/dbraw/zinc/35/11/39/606351139.db2.gz HZYSELSVAKSQJV-ZDUSSCGKSA-N -1 3 380.452 3.566 20 0 GHADHM C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518633 606351140 /nfs/dbraw/zinc/35/11/40/606351140.db2.gz HZYSELSVAKSQJV-ZDUSSCGKSA-N -1 3 380.452 3.566 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1CCc1ccccc1 ZINC000823344086 606351920 /nfs/dbraw/zinc/35/19/20/606351920.db2.gz PXWNDCVPJLYGAN-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1CCc1ccccc1 ZINC000823344086 606351922 /nfs/dbraw/zinc/35/19/22/606351922.db2.gz PXWNDCVPJLYGAN-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000821492736 606351941 /nfs/dbraw/zinc/35/19/41/606351941.db2.gz VKQOELSXCGRCAW-CYBMUJFWSA-N -1 3 375.432 3.757 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000821492736 606351942 /nfs/dbraw/zinc/35/19/42/606351942.db2.gz VKQOELSXCGRCAW-CYBMUJFWSA-N -1 3 375.432 3.757 20 0 GHADHM CC(C)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C(C)(C)C ZINC000820187759 606355113 /nfs/dbraw/zinc/35/51/13/606355113.db2.gz PMJMPIPPFYLCGK-ZDUSSCGKSA-N -1 3 382.468 3.860 20 0 GHADHM CC(C)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C(C)(C)C ZINC000820187759 606355115 /nfs/dbraw/zinc/35/51/15/606355115.db2.gz PMJMPIPPFYLCGK-ZDUSSCGKSA-N -1 3 382.468 3.860 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000820178198 606355461 /nfs/dbraw/zinc/35/54/61/606355461.db2.gz KQDVQGJXHRLODV-NSHDSACASA-N -1 3 387.827 3.620 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000820178198 606355463 /nfs/dbraw/zinc/35/54/63/606355463.db2.gz KQDVQGJXHRLODV-NSHDSACASA-N -1 3 387.827 3.620 20 0 GHADHM C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506584 606356406 /nfs/dbraw/zinc/35/64/06/606356406.db2.gz BRVYPHOWPVOTBF-GFCCVEGCSA-N -1 3 380.452 3.614 20 0 GHADHM C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506584 606356408 /nfs/dbraw/zinc/35/64/08/606356408.db2.gz BRVYPHOWPVOTBF-GFCCVEGCSA-N -1 3 380.452 3.614 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000823344157 606358366 /nfs/dbraw/zinc/35/83/66/606358366.db2.gz SEQVPFQRUFCDPT-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(Cc2ccccc2F)CC1 ZINC000823344157 606358368 /nfs/dbraw/zinc/35/83/68/606358368.db2.gz SEQVPFQRUFCDPT-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536129 606359924 /nfs/dbraw/zinc/35/99/24/606359924.db2.gz SDFAGSWOMCRDBQ-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536129 606359927 /nfs/dbraw/zinc/35/99/27/606359927.db2.gz SDFAGSWOMCRDBQ-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950107 606361643 /nfs/dbraw/zinc/36/16/43/606361643.db2.gz DZXNDALOKGJPOV-MRXNPFEDSA-N -1 3 394.431 3.914 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950107 606361644 /nfs/dbraw/zinc/36/16/44/606361644.db2.gz DZXNDALOKGJPOV-MRXNPFEDSA-N -1 3 394.431 3.914 20 0 GHADHM O=C(CCc1nccs1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822987190 606362016 /nfs/dbraw/zinc/36/20/16/606362016.db2.gz SJQIRNHXLCILRF-UHFFFAOYSA-N -1 3 393.428 3.654 20 0 GHADHM O=C(CCc1nccs1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822987190 606362018 /nfs/dbraw/zinc/36/20/18/606362018.db2.gz SJQIRNHXLCILRF-UHFFFAOYSA-N -1 3 393.428 3.654 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)[C@@H]1C ZINC000820716705 606446750 /nfs/dbraw/zinc/44/67/50/606446750.db2.gz KHODMJZIHKXZCK-ZIAGYGMSSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)[C@@H]1C ZINC000820716705 606446751 /nfs/dbraw/zinc/44/67/51/606446751.db2.gz KHODMJZIHKXZCK-ZIAGYGMSSA-N -1 3 379.489 3.888 20 0 GHADHM O=C(c1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)N1CCc2ccccc21 ZINC000823493177 606454194 /nfs/dbraw/zinc/45/41/94/606454194.db2.gz GZSARQGPCVSQFE-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(c1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)N1CCc2ccccc21 ZINC000823493177 606454195 /nfs/dbraw/zinc/45/41/95/606454195.db2.gz GZSARQGPCVSQFE-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822774238 606461483 /nfs/dbraw/zinc/46/14/83/606461483.db2.gz HQCRZUOXQICYDM-OAHLLOKOSA-N -1 3 395.829 3.944 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822774238 606461485 /nfs/dbraw/zinc/46/14/85/606461485.db2.gz HQCRZUOXQICYDM-OAHLLOKOSA-N -1 3 395.829 3.944 20 0 GHADHM C[C@@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820455840 606472154 /nfs/dbraw/zinc/47/21/54/606472154.db2.gz NSZCOCSYVDMMCY-CQSZACIVSA-N -1 3 394.479 3.621 20 0 GHADHM C[C@@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820455840 606472155 /nfs/dbraw/zinc/47/21/55/606472155.db2.gz NSZCOCSYVDMMCY-CQSZACIVSA-N -1 3 394.479 3.621 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Br)cc1 ZINC000822733248 606480925 /nfs/dbraw/zinc/48/09/25/606480925.db2.gz VGTRXGGEBWFJNF-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Br)cc1 ZINC000822733248 606480927 /nfs/dbraw/zinc/48/09/27/606480927.db2.gz VGTRXGGEBWFJNF-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140363 606485884 /nfs/dbraw/zinc/48/58/84/606485884.db2.gz TZACNTIOVPDAFX-OAHLLOKOSA-N -1 3 385.449 3.648 20 0 GHADHM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140363 606485886 /nfs/dbraw/zinc/48/58/86/606485886.db2.gz TZACNTIOVPDAFX-OAHLLOKOSA-N -1 3 385.449 3.648 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820563507 606492068 /nfs/dbraw/zinc/49/20/68/606492068.db2.gz RJMBMYHIHUFGHG-VIFPVBQESA-N -1 3 381.383 3.780 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820563507 606492069 /nfs/dbraw/zinc/49/20/69/606492069.db2.gz RJMBMYHIHUFGHG-VIFPVBQESA-N -1 3 381.383 3.780 20 0 GHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)c2c1 ZINC000822195039 606507620 /nfs/dbraw/zinc/50/76/20/606507620.db2.gz DWXUSVJEGDSYJA-UHFFFAOYSA-N -1 3 385.431 3.556 20 0 GHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c2c1 ZINC000822195039 606507623 /nfs/dbraw/zinc/50/76/23/606507623.db2.gz DWXUSVJEGDSYJA-UHFFFAOYSA-N -1 3 385.431 3.556 20 0 GHADHM Cc1cscc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822414859 606508972 /nfs/dbraw/zinc/50/89/72/606508972.db2.gz XJKIBNCLIXVHDB-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1cscc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822414859 606508974 /nfs/dbraw/zinc/50/89/74/606508974.db2.gz XJKIBNCLIXVHDB-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823140130 606517080 /nfs/dbraw/zinc/51/70/80/606517080.db2.gz PCKQRHXNDSRGBA-KRWDZBQOSA-N -1 3 393.447 3.781 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823140130 606517081 /nfs/dbraw/zinc/51/70/81/606517081.db2.gz PCKQRHXNDSRGBA-KRWDZBQOSA-N -1 3 393.447 3.781 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1cccs1)CC(F)(F)F ZINC000822929397 606524755 /nfs/dbraw/zinc/52/47/55/606524755.db2.gz UBQLYAHYOAFHGG-FPLPWBNLSA-N -1 3 393.394 3.533 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1cccs1)CC(F)(F)F ZINC000822929397 606524757 /nfs/dbraw/zinc/52/47/57/606524757.db2.gz UBQLYAHYOAFHGG-FPLPWBNLSA-N -1 3 393.394 3.533 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000820543562 606548309 /nfs/dbraw/zinc/54/83/09/606548309.db2.gz ZLAUSIXDLQATGT-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000820543562 606548311 /nfs/dbraw/zinc/54/83/11/606548311.db2.gz ZLAUSIXDLQATGT-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820032921 606561463 /nfs/dbraw/zinc/56/14/63/606561463.db2.gz QJBYIZPGEUNSDE-IBGZPJMESA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820032921 606561465 /nfs/dbraw/zinc/56/14/65/606561465.db2.gz QJBYIZPGEUNSDE-IBGZPJMESA-N -1 3 383.883 3.918 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299730 606578049 /nfs/dbraw/zinc/57/80/49/606578049.db2.gz SMPZPKTUTCDLGY-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299730 606578050 /nfs/dbraw/zinc/57/80/50/606578050.db2.gz SMPZPKTUTCDLGY-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM CC1(CNC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820618516 606578754 /nfs/dbraw/zinc/57/87/54/606578754.db2.gz GZNOGNJLYOKRGM-UHFFFAOYSA-N -1 3 379.489 3.689 20 0 GHADHM CC1(CNC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820618516 606578756 /nfs/dbraw/zinc/57/87/56/606578756.db2.gz GZNOGNJLYOKRGM-UHFFFAOYSA-N -1 3 379.489 3.689 20 0 GHADHM C[C@@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000820270074 606587845 /nfs/dbraw/zinc/58/78/45/606587845.db2.gz UQYPIPKGPJCLDS-HNNXBMFYSA-N -1 3 399.458 3.539 20 0 GHADHM Cc1nc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)oc1C ZINC000822444091 606596995 /nfs/dbraw/zinc/59/69/95/606596995.db2.gz AELRYPVEHZOIHN-UHFFFAOYSA-N -1 3 376.420 3.663 20 0 GHADHM Cc1nc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)oc1C ZINC000822444091 606596996 /nfs/dbraw/zinc/59/69/96/606596996.db2.gz AELRYPVEHZOIHN-UHFFFAOYSA-N -1 3 376.420 3.663 20 0 GHADHM Cc1nc2ccc(NCc3ccc(-c4nnn[n-]4)cc3OC(F)F)cc2s1 ZINC000822462320 606597013 /nfs/dbraw/zinc/59/70/13/606597013.db2.gz GOQMMIDBNCRPEJ-UHFFFAOYSA-N -1 3 388.403 3.998 20 0 GHADHM Cc1nc2ccc(NCc3ccc(-c4nn[n-]n4)cc3OC(F)F)cc2s1 ZINC000822462320 606597014 /nfs/dbraw/zinc/59/70/14/606597014.db2.gz GOQMMIDBNCRPEJ-UHFFFAOYSA-N -1 3 388.403 3.998 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000821465987 606602050 /nfs/dbraw/zinc/60/20/50/606602050.db2.gz SYSCYCRDUDZAJS-LLVKDONJSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000821465987 606602051 /nfs/dbraw/zinc/60/20/51/606602051.db2.gz SYSCYCRDUDZAJS-LLVKDONJSA-N -1 3 385.493 3.940 20 0 GHADHM Cc1ccc(/C=C\CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233308 606617738 /nfs/dbraw/zinc/61/77/38/606617738.db2.gz MANSOSMUOAAEJQ-PLNGDYQASA-N -1 3 393.516 3.628 20 0 GHADHM Cc1ccc(/C=C\CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233308 606617739 /nfs/dbraw/zinc/61/77/39/606617739.db2.gz MANSOSMUOAAEJQ-PLNGDYQASA-N -1 3 393.516 3.628 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820674045 606619046 /nfs/dbraw/zinc/61/90/46/606619046.db2.gz AYPZGGKHNJNCRT-JFBXQDQPSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820674045 606619048 /nfs/dbraw/zinc/61/90/48/606619048.db2.gz AYPZGGKHNJNCRT-JFBXQDQPSA-N -1 3 376.420 3.739 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1CC(F)(F)C1 ZINC000822211823 606619911 /nfs/dbraw/zinc/61/99/11/606619911.db2.gz PSLQZWVYEOAYKQ-UHFFFAOYSA-N -1 3 385.374 3.951 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1CC(F)(F)C1 ZINC000822211823 606619913 /nfs/dbraw/zinc/61/99/13/606619913.db2.gz PSLQZWVYEOAYKQ-UHFFFAOYSA-N -1 3 385.374 3.951 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821400639 606627799 /nfs/dbraw/zinc/62/77/99/606627799.db2.gz NDZUFMMOFZCGJB-VIFPVBQESA-N -1 3 377.857 3.723 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821400639 606627802 /nfs/dbraw/zinc/62/78/02/606627802.db2.gz NDZUFMMOFZCGJB-VIFPVBQESA-N -1 3 377.857 3.723 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)c1C ZINC000819833537 606629454 /nfs/dbraw/zinc/62/94/54/606629454.db2.gz GRYCJCNAPBTBDI-UHFFFAOYSA-N -1 3 389.868 3.643 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)c1C ZINC000819833537 606629455 /nfs/dbraw/zinc/62/94/55/606629455.db2.gz GRYCJCNAPBTBDI-UHFFFAOYSA-N -1 3 389.868 3.643 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N[C@@H](c1ccccc1)C1CC1 ZINC000823065925 606629734 /nfs/dbraw/zinc/62/97/34/606629734.db2.gz FICXNKANFIBKAY-SFHVURJKSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N[C@@H](c1ccccc1)C1CC1 ZINC000823065925 606629736 /nfs/dbraw/zinc/62/97/36/606629736.db2.gz FICXNKANFIBKAY-SFHVURJKSA-N -1 3 399.907 3.880 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N(C)C1CCCCC1 ZINC000820549815 606630294 /nfs/dbraw/zinc/63/02/94/606630294.db2.gz RWCSMCUCBDGKGP-NSHDSACASA-N -1 3 379.917 3.792 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N(C)C1CCCCC1 ZINC000820549815 606630295 /nfs/dbraw/zinc/63/02/95/606630295.db2.gz RWCSMCUCBDGKGP-NSHDSACASA-N -1 3 379.917 3.792 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1ccc(-c2nnn[n-]2)s1 ZINC000819933266 606634902 /nfs/dbraw/zinc/63/49/02/606634902.db2.gz LSGHTDGNQSQPOX-UHFFFAOYSA-N -1 3 398.492 3.838 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3cccc(F)c3F)c2-c2nnn[n-]2)C1 ZINC000820726932 606664208 /nfs/dbraw/zinc/66/42/08/606664208.db2.gz DICDVOQQYODHDH-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3cccc(F)c3F)c2-c2nn[n-]n2)C1 ZINC000820726932 606664209 /nfs/dbraw/zinc/66/42/09/606664209.db2.gz DICDVOQQYODHDH-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820571284 606669312 /nfs/dbraw/zinc/66/93/12/606669312.db2.gz XISDQNVGIXMJKN-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820571284 606669313 /nfs/dbraw/zinc/66/93/13/606669313.db2.gz XISDQNVGIXMJKN-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM CC(C)c1ccc2c(c1)CCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820192329 606671515 /nfs/dbraw/zinc/67/15/15/606671515.db2.gz JYHQMFSNDCRSQC-UHFFFAOYSA-N -1 3 383.402 3.861 20 0 GHADHM CC(C)c1ccc2c(c1)CCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820192329 606671516 /nfs/dbraw/zinc/67/15/16/606671516.db2.gz JYHQMFSNDCRSQC-UHFFFAOYSA-N -1 3 383.402 3.861 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000819899585 606672454 /nfs/dbraw/zinc/67/24/54/606672454.db2.gz XZHJLFLELQTWKM-INIZCTEOSA-N -1 3 389.381 3.801 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000819899585 606672455 /nfs/dbraw/zinc/67/24/55/606672455.db2.gz XZHJLFLELQTWKM-INIZCTEOSA-N -1 3 389.381 3.801 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823379773 606672526 /nfs/dbraw/zinc/67/25/26/606672526.db2.gz HZMRKWDXLCNTHB-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823379773 606672527 /nfs/dbraw/zinc/67/25/27/606672527.db2.gz HZMRKWDXLCNTHB-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H](C)c1ccc(F)cc1 ZINC000821153915 606672888 /nfs/dbraw/zinc/67/28/88/606672888.db2.gz HEJKPWYILXZBGM-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H](C)c1ccc(F)cc1 ZINC000821153915 606672889 /nfs/dbraw/zinc/67/28/89/606672889.db2.gz HEJKPWYILXZBGM-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822227303 606682684 /nfs/dbraw/zinc/68/26/84/606682684.db2.gz CSIPCUHNKINVTE-UHFFFAOYSA-N -1 3 385.418 3.503 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822227303 606682685 /nfs/dbraw/zinc/68/26/85/606682685.db2.gz CSIPCUHNKINVTE-UHFFFAOYSA-N -1 3 385.418 3.503 20 0 GHADHM O=C(C[C@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822940802 606685548 /nfs/dbraw/zinc/68/55/48/606685548.db2.gz FHMXNEROOSCHRD-GOSISDBHSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(C[C@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822940802 606685549 /nfs/dbraw/zinc/68/55/49/606685549.db2.gz FHMXNEROOSCHRD-GOSISDBHSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000823358781 606696268 /nfs/dbraw/zinc/69/62/68/606696268.db2.gz FCULHSCDTTYTKY-IBGZPJMESA-N -1 3 388.406 3.917 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000823358781 606696269 /nfs/dbraw/zinc/69/62/69/606696269.db2.gz FCULHSCDTTYTKY-IBGZPJMESA-N -1 3 388.406 3.917 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820989227 606696973 /nfs/dbraw/zinc/69/69/73/606696973.db2.gz OQVWZUCNFXNEDK-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820989227 606696974 /nfs/dbraw/zinc/69/69/74/606696974.db2.gz OQVWZUCNFXNEDK-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CCOc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000821421608 606699530 /nfs/dbraw/zinc/69/95/30/606699530.db2.gz AJXYRQBFFUJQBQ-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000821421608 606699532 /nfs/dbraw/zinc/69/95/32/606699532.db2.gz AJXYRQBFFUJQBQ-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCc1ccc(CC)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000821481042 606704942 /nfs/dbraw/zinc/70/49/42/606704942.db2.gz HNLVWZLHZHOFHL-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM CCc1ccc(CC)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000821481042 606704943 /nfs/dbraw/zinc/70/49/43/606704943.db2.gz HNLVWZLHZHOFHL-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM CC1(C)C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000820589246 606725437 /nfs/dbraw/zinc/72/54/37/606725437.db2.gz BFJDAVWFGDSBTM-LBPRGKRZSA-N -1 3 390.369 3.995 20 0 GHADHM CC1(C)C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820589246 606725440 /nfs/dbraw/zinc/72/54/40/606725440.db2.gz BFJDAVWFGDSBTM-LBPRGKRZSA-N -1 3 390.369 3.995 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820519385 606727325 /nfs/dbraw/zinc/72/73/25/606727325.db2.gz TUUXSFHAYWZGBY-NSHDSACASA-N -1 3 395.410 3.535 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820519385 606727326 /nfs/dbraw/zinc/72/73/26/606727326.db2.gz TUUXSFHAYWZGBY-NSHDSACASA-N -1 3 395.410 3.535 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820183968 606744605 /nfs/dbraw/zinc/74/46/05/606744605.db2.gz PSHITFIPRAJCCC-ZDUSSCGKSA-N -1 3 383.477 3.773 20 0 GHADHM CCOc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1 ZINC000821418275 606780131 /nfs/dbraw/zinc/78/01/31/606780131.db2.gz YMQJQUXXMMOVHZ-UHFFFAOYSA-N -1 3 398.810 3.548 20 0 GHADHM CCOc1ccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1 ZINC000821418275 606780132 /nfs/dbraw/zinc/78/01/32/606780132.db2.gz YMQJQUXXMMOVHZ-UHFFFAOYSA-N -1 3 398.810 3.548 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000822758780 606797334 /nfs/dbraw/zinc/79/73/34/606797334.db2.gz YPFXUYFRHCJBHZ-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM CCN(C(=O)Cc1ccc(C)cc1Cl)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155409 606799556 /nfs/dbraw/zinc/79/95/56/606799556.db2.gz YWSBLUILTNELEZ-AWEZNQCLSA-N -1 3 383.883 3.981 20 0 GHADHM CCN(C(=O)Cc1ccc(C)cc1Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155409 606799558 /nfs/dbraw/zinc/79/95/58/606799558.db2.gz YWSBLUILTNELEZ-AWEZNQCLSA-N -1 3 383.883 3.981 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCSC1 ZINC000822211565 606800150 /nfs/dbraw/zinc/80/01/50/606800150.db2.gz FDXIYMBKUKCJPX-CQSZACIVSA-N -1 3 381.461 3.659 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CCSC1 ZINC000822211565 606800153 /nfs/dbraw/zinc/80/01/53/606800153.db2.gz FDXIYMBKUKCJPX-CQSZACIVSA-N -1 3 381.461 3.659 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000822231016 606807467 /nfs/dbraw/zinc/80/74/67/606807467.db2.gz XTVWASGPNIEOSH-APWZRJJASA-N -1 3 391.475 3.615 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000822231016 606807470 /nfs/dbraw/zinc/80/74/70/606807470.db2.gz XTVWASGPNIEOSH-APWZRJJASA-N -1 3 391.475 3.615 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(F)=C1CCCC1 ZINC000823356913 606835247 /nfs/dbraw/zinc/83/52/47/606835247.db2.gz RNFOBEXOUROIDQ-UHFFFAOYSA-N -1 3 380.383 3.790 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(F)=C1CCCC1 ZINC000823356913 606835249 /nfs/dbraw/zinc/83/52/49/606835249.db2.gz RNFOBEXOUROIDQ-UHFFFAOYSA-N -1 3 380.383 3.790 20 0 GHADHM CCOc1cc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)ccc1OC ZINC000821395581 606935456 /nfs/dbraw/zinc/93/54/56/606935456.db2.gz ZXHWFNYEKGHMEW-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM CCOc1cc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)ccc1OC ZINC000821395581 606935458 /nfs/dbraw/zinc/93/54/58/606935458.db2.gz ZXHWFNYEKGHMEW-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM Cc1ccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)coc2c1 ZINC000822274688 606961239 /nfs/dbraw/zinc/96/12/39/606961239.db2.gz GAQBOFVZOAWDNJ-UHFFFAOYSA-N -1 3 381.823 3.780 20 0 GHADHM Cc1ccc2c(CC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)coc2c1 ZINC000822274688 606961241 /nfs/dbraw/zinc/96/12/41/606961241.db2.gz GAQBOFVZOAWDNJ-UHFFFAOYSA-N -1 3 381.823 3.780 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c2c1 ZINC000822280042 606976113 /nfs/dbraw/zinc/97/61/13/606976113.db2.gz IJRLVKWMGRXOBK-UHFFFAOYSA-N -1 3 384.443 3.877 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c2c1 ZINC000822280042 606976115 /nfs/dbraw/zinc/97/61/15/606976115.db2.gz IJRLVKWMGRXOBK-UHFFFAOYSA-N -1 3 384.443 3.877 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)cs2)cc1 ZINC000822214043 606994108 /nfs/dbraw/zinc/99/41/08/606994108.db2.gz MSWSIFPXSJOZNY-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)cs2)cc1 ZINC000822214043 606994110 /nfs/dbraw/zinc/99/41/10/606994110.db2.gz MSWSIFPXSJOZNY-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2F)s1 ZINC000823426941 606997781 /nfs/dbraw/zinc/99/77/81/606997781.db2.gz RPHPWDSXJAQGQC-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2F)s1 ZINC000823426941 606997783 /nfs/dbraw/zinc/99/77/83/606997783.db2.gz RPHPWDSXJAQGQC-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418690 607001918 /nfs/dbraw/zinc/00/19/18/607001918.db2.gz DMYRZPXVWXCRJD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418690 607001920 /nfs/dbraw/zinc/00/19/20/607001920.db2.gz DMYRZPXVWXCRJD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821154980 607013459 /nfs/dbraw/zinc/01/34/59/607013459.db2.gz UHEXGHQGZNWNRV-ZDUSSCGKSA-N -1 3 385.468 3.708 20 0 GHADHM CCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821154980 607013461 /nfs/dbraw/zinc/01/34/61/607013461.db2.gz UHEXGHQGZNWNRV-ZDUSSCGKSA-N -1 3 385.468 3.708 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccc(F)cc1 ZINC000821565127 607015775 /nfs/dbraw/zinc/01/57/75/607015775.db2.gz FGXMIXDBKYGEGR-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccc(F)cc1 ZINC000821565127 607015778 /nfs/dbraw/zinc/01/57/78/607015778.db2.gz FGXMIXDBKYGEGR-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM Cc1sc2nc(SCc3cc(F)ccc3-c3nnn[n-]3)nc(N)c2c1C ZINC000822563176 607039690 /nfs/dbraw/zinc/03/96/90/607039690.db2.gz GDZIJCGUVITVMB-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM Cc1sc2nc(SCc3cc(F)ccc3-c3nn[n-]n3)nc(N)c2c1C ZINC000822563176 607039692 /nfs/dbraw/zinc/03/96/92/607039692.db2.gz GDZIJCGUVITVMB-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)(F)F ZINC000820427500 607055521 /nfs/dbraw/zinc/05/55/21/607055521.db2.gz RZKAIZVJLSGDAA-SNVBAGLBSA-N -1 3 381.333 3.755 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)c1cc(C)ccc1C ZINC000821294612 607099467 /nfs/dbraw/zinc/09/94/67/607099467.db2.gz VVNZTMBRYJJQGJ-UHFFFAOYSA-N -1 3 392.463 3.517 20 0 GHADHM COc1ccccc1CN(Cc1cccs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000821899282 607113052 /nfs/dbraw/zinc/11/30/52/607113052.db2.gz WOISIXJFGSTNHL-UHFFFAOYSA-N -1 3 378.461 3.539 20 0 GHADHM COc1ccccc1CN(Cc1cccs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000821899282 607113054 /nfs/dbraw/zinc/11/30/54/607113054.db2.gz WOISIXJFGSTNHL-UHFFFAOYSA-N -1 3 378.461 3.539 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000822748303 607136886 /nfs/dbraw/zinc/13/68/86/607136886.db2.gz SJLHGMMWKXTIAP-UHFFFAOYSA-N -1 3 379.182 3.539 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000822748303 607136887 /nfs/dbraw/zinc/13/68/87/607136887.db2.gz SJLHGMMWKXTIAP-UHFFFAOYSA-N -1 3 379.182 3.539 20 0 GHADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1[C@H]1CCOC2(CCC2)C1 ZINC000822408968 607145994 /nfs/dbraw/zinc/14/59/94/607145994.db2.gz KNVNRVOBJIZJKM-AWEZNQCLSA-N -1 3 382.493 3.545 20 0 GHADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1[C@H]1CCOC2(CCC2)C1 ZINC000822408968 607145996 /nfs/dbraw/zinc/14/59/96/607145996.db2.gz KNVNRVOBJIZJKM-AWEZNQCLSA-N -1 3 382.493 3.545 20 0 GHADHM CCc1oc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cc1C ZINC000821559012 607150935 /nfs/dbraw/zinc/15/09/35/607150935.db2.gz OZPIQBXDYWNJQQ-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1oc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cc1C ZINC000821559012 607150936 /nfs/dbraw/zinc/15/09/36/607150936.db2.gz OZPIQBXDYWNJQQ-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM Clc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000822579229 607164683 /nfs/dbraw/zinc/16/46/83/607164683.db2.gz YRQWGUFEFSMVAC-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000822579229 607164685 /nfs/dbraw/zinc/16/46/85/607164685.db2.gz YRQWGUFEFSMVAC-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822568024 607164814 /nfs/dbraw/zinc/16/48/14/607164814.db2.gz KHTFDNAIGLTZKS-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM O=C(CCCOc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958791 607190214 /nfs/dbraw/zinc/19/02/14/607190214.db2.gz HNIMXBABULDWSO-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958791 607190215 /nfs/dbraw/zinc/19/02/15/607190215.db2.gz HNIMXBABULDWSO-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(C)c1OC(F)F ZINC000822175943 607190985 /nfs/dbraw/zinc/19/09/85/607190985.db2.gz CBYUSMYOLQELJL-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(C)c1OC(F)F ZINC000822175943 607190986 /nfs/dbraw/zinc/19/09/86/607190986.db2.gz CBYUSMYOLQELJL-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC(c2ccccc2)CC1 ZINC000823313505 607197964 /nfs/dbraw/zinc/19/79/64/607197964.db2.gz CXBXOFJNQVOTOQ-UHFFFAOYSA-N -1 3 382.855 3.932 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC(c2ccccc2)CC1 ZINC000823313505 607197965 /nfs/dbraw/zinc/19/79/65/607197965.db2.gz CXBXOFJNQVOTOQ-UHFFFAOYSA-N -1 3 382.855 3.932 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1OC ZINC000820919473 607202409 /nfs/dbraw/zinc/20/24/09/607202409.db2.gz CNBAUUVWZNGVFF-CQSZACIVSA-N -1 3 386.843 3.802 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1OC ZINC000820919473 607202410 /nfs/dbraw/zinc/20/24/10/607202410.db2.gz CNBAUUVWZNGVFF-CQSZACIVSA-N -1 3 386.843 3.802 20 0 GHADHM Fc1ccc([C@H]2CN(c3cc(-c4nnn[n-]4)ccc3C(F)(F)F)CCO2)cc1 ZINC000822767134 607227657 /nfs/dbraw/zinc/22/76/57/607227657.db2.gz XSLMQPUJEIRUAX-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@H]2CN(c3cc(-c4nn[n-]n4)ccc3C(F)(F)F)CCO2)cc1 ZINC000822767134 607227658 /nfs/dbraw/zinc/22/76/58/607227658.db2.gz XSLMQPUJEIRUAX-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM CCc1ccc(CC)c(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821480977 607238870 /nfs/dbraw/zinc/23/88/70/607238870.db2.gz GZNNRNQRNOMQME-UHFFFAOYSA-N -1 3 379.464 3.788 20 0 GHADHM CCc1ccc(CC)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821480977 607238871 /nfs/dbraw/zinc/23/88/71/607238871.db2.gz GZNNRNQRNOMQME-UHFFFAOYSA-N -1 3 379.464 3.788 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820937734 607242172 /nfs/dbraw/zinc/24/21/72/607242172.db2.gz CHEAJXMGEXSBCT-KFNAQCHYSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820937734 607242173 /nfs/dbraw/zinc/24/21/73/607242173.db2.gz CHEAJXMGEXSBCT-KFNAQCHYSA-N -1 3 377.876 3.833 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822423732 607249370 /nfs/dbraw/zinc/24/93/70/607249370.db2.gz NRBNJRCMZVVZGF-UHFFFAOYSA-N -1 3 387.421 3.718 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822423732 607249371 /nfs/dbraw/zinc/24/93/71/607249371.db2.gz NRBNJRCMZVVZGF-UHFFFAOYSA-N -1 3 387.421 3.718 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822935816 607250643 /nfs/dbraw/zinc/25/06/43/607250643.db2.gz OFUYAYQFYHVTAR-LBPRGKRZSA-N -1 3 380.301 3.647 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822935816 607250644 /nfs/dbraw/zinc/25/06/44/607250644.db2.gz OFUYAYQFYHVTAR-LBPRGKRZSA-N -1 3 380.301 3.647 20 0 GHADHM Cc1c(NC(=S)NCc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822116379 607252098 /nfs/dbraw/zinc/25/20/98/607252098.db2.gz QYKMMFTWJCSMQS-UHFFFAOYSA-N -1 3 392.410 3.681 20 0 GHADHM Cc1c(NC(=S)NCc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822116379 607252099 /nfs/dbraw/zinc/25/20/99/607252099.db2.gz QYKMMFTWJCSMQS-UHFFFAOYSA-N -1 3 392.410 3.681 20 0 GHADHM O=C(Nc1cccc2ccsc21)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826457231 607776914 /nfs/dbraw/zinc/77/69/14/607776914.db2.gz RZBDJRNIAXRNQF-QGZVFWFLSA-N -1 3 390.472 3.689 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825127818 607781602 /nfs/dbraw/zinc/78/16/02/607781602.db2.gz OORXNWUJXQTKTI-WMLDXEAASA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825127818 607781603 /nfs/dbraw/zinc/78/16/03/607781603.db2.gz OORXNWUJXQTKTI-WMLDXEAASA-N -1 3 396.520 3.798 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000824385404 607785264 /nfs/dbraw/zinc/78/52/64/607785264.db2.gz SECFINPITFRFHP-LLVKDONJSA-N -1 3 388.422 3.834 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000824385404 607785265 /nfs/dbraw/zinc/78/52/65/607785265.db2.gz SECFINPITFRFHP-LLVKDONJSA-N -1 3 388.422 3.834 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825160040 607786491 /nfs/dbraw/zinc/78/64/91/607786491.db2.gz WSVTYULLWKOAIS-SFHVURJKSA-N -1 3 379.464 3.811 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825160040 607786492 /nfs/dbraw/zinc/78/64/92/607786492.db2.gz WSVTYULLWKOAIS-SFHVURJKSA-N -1 3 379.464 3.811 20 0 GHADHM CCCOc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1OCCC ZINC000825339380 607789714 /nfs/dbraw/zinc/78/97/14/607789714.db2.gz YMHHPJWPRCTIBW-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CCCOc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1OCCC ZINC000825339380 607789715 /nfs/dbraw/zinc/78/97/15/607789715.db2.gz YMHHPJWPRCTIBW-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826229139 607790177 /nfs/dbraw/zinc/79/01/77/607790177.db2.gz QTICHMPAZKWRCP-UHFFFAOYSA-N -1 3 379.445 3.753 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826229139 607790178 /nfs/dbraw/zinc/79/01/78/607790178.db2.gz QTICHMPAZKWRCP-UHFFFAOYSA-N -1 3 379.445 3.753 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824808825 607791231 /nfs/dbraw/zinc/79/12/31/607791231.db2.gz ZNFQPMGOJMMUKH-KRWDZBQOSA-N -1 3 383.402 3.588 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824808825 607791232 /nfs/dbraw/zinc/79/12/32/607791232.db2.gz ZNFQPMGOJMMUKH-KRWDZBQOSA-N -1 3 383.402 3.588 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Cl)c(Br)c1 ZINC000826461196 607793608 /nfs/dbraw/zinc/79/36/08/607793608.db2.gz KHQKXFYOXRNKDW-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Cl)c(Br)c1 ZINC000826461196 607793609 /nfs/dbraw/zinc/79/36/09/607793609.db2.gz KHQKXFYOXRNKDW-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824407315 607832088 /nfs/dbraw/zinc/83/20/88/607832088.db2.gz XCOIIESMYDJVPH-LLVKDONJSA-N -1 3 390.274 3.925 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824407315 607832089 /nfs/dbraw/zinc/83/20/89/607832089.db2.gz XCOIIESMYDJVPH-LLVKDONJSA-N -1 3 390.274 3.925 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000824505693 607833035 /nfs/dbraw/zinc/83/30/35/607833035.db2.gz HHTGSOZXKHAHDZ-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000824505693 607833036 /nfs/dbraw/zinc/83/30/36/607833036.db2.gz HHTGSOZXKHAHDZ-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM COc1ccc2[nH]cc(CCNc3ccc4cc(-c5nnn[n-]5)ccc4n3)c2c1 ZINC000826212169 607842183 /nfs/dbraw/zinc/84/21/83/607842183.db2.gz IKRNDMAVVFGTMV-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM COc1ccc2[nH]cc(CCNc3ccc4cc(-c5nn[n-]n5)ccc4n3)c2c1 ZINC000826212169 607842184 /nfs/dbraw/zinc/84/21/84/607842184.db2.gz IKRNDMAVVFGTMV-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000824756596 607844549 /nfs/dbraw/zinc/84/45/49/607844549.db2.gz PAYPDJREOVKCAQ-NSHDSACASA-N -1 3 383.868 3.954 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000824756596 607844550 /nfs/dbraw/zinc/84/45/50/607844550.db2.gz PAYPDJREOVKCAQ-NSHDSACASA-N -1 3 383.868 3.954 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000825957869 607858068 /nfs/dbraw/zinc/85/80/68/607858068.db2.gz IWAGFPHOKBVZQS-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000825957869 607858069 /nfs/dbraw/zinc/85/80/69/607858069.db2.gz IWAGFPHOKBVZQS-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM CCSc1ccccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825673752 607866748 /nfs/dbraw/zinc/86/67/48/607866748.db2.gz AGBJQITWYYGQFG-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCSc1ccccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825673752 607866749 /nfs/dbraw/zinc/86/67/49/607866749.db2.gz AGBJQITWYYGQFG-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826503697 607878562 /nfs/dbraw/zinc/87/85/62/607878562.db2.gz CXAPUZWXNQKCAI-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826503697 607878563 /nfs/dbraw/zinc/87/85/63/607878563.db2.gz CXAPUZWXNQKCAI-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826323917 607913113 /nfs/dbraw/zinc/91/31/13/607913113.db2.gz XJSMWCNFCXOOSV-AWEZNQCLSA-N -1 3 398.536 3.907 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826323917 607913114 /nfs/dbraw/zinc/91/31/14/607913114.db2.gz XJSMWCNFCXOOSV-AWEZNQCLSA-N -1 3 398.536 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCC1 ZINC000824507460 607918032 /nfs/dbraw/zinc/91/80/32/607918032.db2.gz XPUVAVSQHAQYQP-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCC1 ZINC000824507460 607918033 /nfs/dbraw/zinc/91/80/33/607918033.db2.gz XPUVAVSQHAQYQP-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM COc1cc(C)nc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)c1 ZINC000826178596 607931877 /nfs/dbraw/zinc/93/18/77/607931877.db2.gz DRCLKFDXFNJCHI-UHFFFAOYSA-N -1 3 396.398 3.593 20 0 GHADHM COc1cc(C)nc(CSc2nc(C)cc(C(F)(F)F)c2-c2nn[n-]n2)c1 ZINC000826178596 607931878 /nfs/dbraw/zinc/93/18/78/607931878.db2.gz DRCLKFDXFNJCHI-UHFFFAOYSA-N -1 3 396.398 3.593 20 0 GHADHM CS[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000826224988 607933390 /nfs/dbraw/zinc/93/33/90/607933390.db2.gz QQTFSTYYBDAELF-CQSZACIVSA-N -1 3 399.495 3.676 20 0 GHADHM CS[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826224988 607933391 /nfs/dbraw/zinc/93/33/91/607933391.db2.gz QQTFSTYYBDAELF-CQSZACIVSA-N -1 3 399.495 3.676 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826224360 607940060 /nfs/dbraw/zinc/94/00/60/607940060.db2.gz BHGCBVUVUYUADK-NSHDSACASA-N -1 3 387.440 3.878 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826224360 607940061 /nfs/dbraw/zinc/94/00/61/607940061.db2.gz BHGCBVUVUYUADK-NSHDSACASA-N -1 3 387.440 3.878 20 0 GHADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826426337 607949579 /nfs/dbraw/zinc/94/95/79/607949579.db2.gz LFRFYSFNLUOTMW-UHFFFAOYSA-N -1 3 399.376 3.506 20 0 GHADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826426337 607949580 /nfs/dbraw/zinc/94/95/80/607949580.db2.gz LFRFYSFNLUOTMW-UHFFFAOYSA-N -1 3 399.376 3.506 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCc5ccc(-c6nnn[n-]6)cc54)cc3c2C1 ZINC000824969398 607954113 /nfs/dbraw/zinc/95/41/13/607954113.db2.gz TZVOIWBEHCWALD-CYBMUJFWSA-N -1 3 398.470 3.676 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCc5ccc(-c6nn[n-]n6)cc54)cc3c2C1 ZINC000824969398 607954114 /nfs/dbraw/zinc/95/41/14/607954114.db2.gz TZVOIWBEHCWALD-CYBMUJFWSA-N -1 3 398.470 3.676 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824206898 607954554 /nfs/dbraw/zinc/95/45/54/607954554.db2.gz LJLKRROGAZMFNI-GOSISDBHSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824206898 607954555 /nfs/dbraw/zinc/95/45/55/607954555.db2.gz LJLKRROGAZMFNI-GOSISDBHSA-N -1 3 379.489 3.573 20 0 GHADHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSCC(C)C)c1-c1nnn[n-]1 ZINC000826233289 607964328 /nfs/dbraw/zinc/96/43/28/607964328.db2.gz BJRDQOAUYMPGHT-UHFFFAOYSA-N -1 3 398.536 3.661 20 0 GHADHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSCC(C)C)c1-c1nn[n-]n1 ZINC000826233289 607964329 /nfs/dbraw/zinc/96/43/29/607964329.db2.gz BJRDQOAUYMPGHT-UHFFFAOYSA-N -1 3 398.536 3.661 20 0 GHADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000826504120 607982426 /nfs/dbraw/zinc/98/24/26/607982426.db2.gz NNSUFSVYQRITDX-CYBMUJFWSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000826504120 607982427 /nfs/dbraw/zinc/98/24/27/607982427.db2.gz NNSUFSVYQRITDX-CYBMUJFWSA-N -1 3 385.638 3.939 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823942370 607995194 /nfs/dbraw/zinc/99/51/94/607995194.db2.gz CPSXXAOZOKRJLJ-ACCUITESSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823942370 607995195 /nfs/dbraw/zinc/99/51/95/607995195.db2.gz CPSXXAOZOKRJLJ-ACCUITESSA-N -1 3 379.851 3.729 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cncc2ccccc21 ZINC000826406000 608004053 /nfs/dbraw/zinc/00/40/53/608004053.db2.gz CSMSXZDWEKILQN-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cncc2ccccc21 ZINC000826406000 608004054 /nfs/dbraw/zinc/00/40/54/608004054.db2.gz CSMSXZDWEKILQN-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC(F)(F)CC1 ZINC000826452294 608005964 /nfs/dbraw/zinc/00/59/64/608005964.db2.gz OCDIPHVQIUIXCK-UHFFFAOYSA-N -1 3 375.301 3.650 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC(F)(F)CC1 ZINC000826452294 608005965 /nfs/dbraw/zinc/00/59/65/608005965.db2.gz OCDIPHVQIUIXCK-UHFFFAOYSA-N -1 3 375.301 3.650 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC=C(C(C)(C)C)CC2)cc1-c1nnn[n-]1 ZINC000824328882 608007472 /nfs/dbraw/zinc/00/74/72/608007472.db2.gz DDAJQIMKICUZIW-UHFFFAOYSA-N -1 3 384.484 3.864 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC=C(C(C)(C)C)CC2)cc1-c1nn[n-]n1 ZINC000824328882 608007473 /nfs/dbraw/zinc/00/74/73/608007473.db2.gz DDAJQIMKICUZIW-UHFFFAOYSA-N -1 3 384.484 3.864 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347818 608008202 /nfs/dbraw/zinc/00/82/02/608008202.db2.gz ORPQMNBJRYBAAS-HXUWFJFHSA-N -1 3 390.491 3.766 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCc2ccsc2C1 ZINC000826452427 608032158 /nfs/dbraw/zinc/03/21/58/608032158.db2.gz SZMLTZRJWHSBEE-UHFFFAOYSA-N -1 3 394.382 3.537 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCc2ccsc2C1 ZINC000826452427 608032159 /nfs/dbraw/zinc/03/21/59/608032159.db2.gz SZMLTZRJWHSBEE-UHFFFAOYSA-N -1 3 394.382 3.537 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826329554 608032170 /nfs/dbraw/zinc/03/21/70/608032170.db2.gz IBXLCRBGCPHYEB-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826329554 608032171 /nfs/dbraw/zinc/03/21/71/608032171.db2.gz IBXLCRBGCPHYEB-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392107 608051216 /nfs/dbraw/zinc/05/12/16/608051216.db2.gz LXOCQVCLRPEOEF-MEDUHNTESA-N -1 3 388.269 3.553 20 0 GHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1c(C)noc1C ZINC000825148083 608052074 /nfs/dbraw/zinc/05/20/74/608052074.db2.gz NZFQIAZTMCIVMQ-LBPRGKRZSA-N -1 3 377.246 3.797 20 0 GHADHM C[C@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824874351 608057912 /nfs/dbraw/zinc/05/79/12/608057912.db2.gz CGGDFAOFNMKGJP-YOEHRIQHSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824874351 608057913 /nfs/dbraw/zinc/05/79/13/608057913.db2.gz CGGDFAOFNMKGJP-YOEHRIQHSA-N -1 3 390.443 3.582 20 0 GHADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385471 608058080 /nfs/dbraw/zinc/05/80/80/608058080.db2.gz HBRHWAZJGNUDRF-QRWLVFNGSA-N -1 3 391.475 3.594 20 0 GHADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385471 608058081 /nfs/dbraw/zinc/05/80/81/608058081.db2.gz HBRHWAZJGNUDRF-QRWLVFNGSA-N -1 3 391.475 3.594 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000826241078 608100676 /nfs/dbraw/zinc/10/06/76/608100676.db2.gz QISNSKDXTOYSJT-LLVKDONJSA-N -1 3 396.501 3.904 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000826241078 608100677 /nfs/dbraw/zinc/10/06/77/608100677.db2.gz QISNSKDXTOYSJT-LLVKDONJSA-N -1 3 396.501 3.904 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1scnc1C1CC1 ZINC000824255635 608106137 /nfs/dbraw/zinc/10/61/37/608106137.db2.gz QSHVJNNHWKIRBH-UHFFFAOYSA-N -1 3 397.508 3.891 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1scnc1C1CC1 ZINC000824255635 608106138 /nfs/dbraw/zinc/10/61/38/608106138.db2.gz QSHVJNNHWKIRBH-UHFFFAOYSA-N -1 3 397.508 3.891 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1C1CC1 ZINC000825083205 608106525 /nfs/dbraw/zinc/10/65/25/608106525.db2.gz YNWLDVHJXQUXEY-NSHDSACASA-N -1 3 396.455 3.564 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1C1CC1 ZINC000825083205 608106526 /nfs/dbraw/zinc/10/65/26/608106526.db2.gz YNWLDVHJXQUXEY-NSHDSACASA-N -1 3 396.455 3.564 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000824328931 608114221 /nfs/dbraw/zinc/11/42/21/608114221.db2.gz DPTSWKMWQGHXAQ-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000824328931 608114222 /nfs/dbraw/zinc/11/42/22/608114222.db2.gz DPTSWKMWQGHXAQ-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC(C)(C)C1 ZINC000824977300 608139656 /nfs/dbraw/zinc/13/96/56/608139656.db2.gz QEHDWPVWPXGOGK-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1=O ZINC000824866484 608152867 /nfs/dbraw/zinc/15/28/67/608152867.db2.gz LWFRDMBDJXFMTQ-UKRRQHHQSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1=O ZINC000824866484 608152871 /nfs/dbraw/zinc/15/28/71/608152871.db2.gz LWFRDMBDJXFMTQ-UKRRQHHQSA-N -1 3 391.431 3.603 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC=Cc1ccc(C)cc1 ZINC000825789148 608175568 /nfs/dbraw/zinc/17/55/68/608175568.db2.gz XNQHZMHXTWJWJH-PLNGDYQASA-N -1 3 387.447 3.587 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC=Cc1ccc(C)cc1 ZINC000825789148 608175569 /nfs/dbraw/zinc/17/55/69/608175569.db2.gz XNQHZMHXTWJWJH-PLNGDYQASA-N -1 3 387.447 3.587 20 0 GHADHM c1cc(COc2ccc(Nc3nc(C4CC4)ns3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516259 608182865 /nfs/dbraw/zinc/18/28/65/608182865.db2.gz DDMOPUSHYKBFNK-UHFFFAOYSA-N -1 3 391.460 3.918 20 0 GHADHM c1cc(COc2ccc(Nc3nc(C4CC4)ns3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516259 608182867 /nfs/dbraw/zinc/18/28/67/608182867.db2.gz DDMOPUSHYKBFNK-UHFFFAOYSA-N -1 3 391.460 3.918 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000826307129 608184055 /nfs/dbraw/zinc/18/40/55/608184055.db2.gz XDRKZKGIPKOZPN-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000826307129 608184056 /nfs/dbraw/zinc/18/40/56/608184056.db2.gz XDRKZKGIPKOZPN-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826332501 608185994 /nfs/dbraw/zinc/18/59/94/608185994.db2.gz WIKHBKZTUGHCGO-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826332501 608185995 /nfs/dbraw/zinc/18/59/95/608185995.db2.gz WIKHBKZTUGHCGO-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N(C)Cc1ccccc1 ZINC000824757371 608205975 /nfs/dbraw/zinc/20/59/75/608205975.db2.gz VQIZPFJSOQDGRH-LBPRGKRZSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N(C)Cc1ccccc1 ZINC000824757371 608205976 /nfs/dbraw/zinc/20/59/76/608205976.db2.gz VQIZPFJSOQDGRH-LBPRGKRZSA-N -1 3 387.896 3.659 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000826421033 608208096 /nfs/dbraw/zinc/20/80/96/608208096.db2.gz NZBWEOQMNCNXIE-OCCSQVGLSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000826421033 608208097 /nfs/dbraw/zinc/20/80/97/608208097.db2.gz NZBWEOQMNCNXIE-OCCSQVGLSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826401437 608229809 /nfs/dbraw/zinc/22/98/09/608229809.db2.gz YOHVZGBPINTOFN-WMZJFQQLSA-N -1 3 384.443 3.552 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826401437 608229810 /nfs/dbraw/zinc/22/98/10/608229810.db2.gz YOHVZGBPINTOFN-WMZJFQQLSA-N -1 3 384.443 3.552 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824319146 608236302 /nfs/dbraw/zinc/23/63/02/608236302.db2.gz HJYZADGXNLSFBD-YWEYNIOJSA-N -1 3 388.431 3.787 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824319146 608236304 /nfs/dbraw/zinc/23/63/04/608236304.db2.gz HJYZADGXNLSFBD-YWEYNIOJSA-N -1 3 388.431 3.787 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000825192805 608245872 /nfs/dbraw/zinc/24/58/72/608245872.db2.gz IWSORFPEDAOHQF-YJBOKZPZSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000825192805 608245873 /nfs/dbraw/zinc/24/58/73/608245873.db2.gz IWSORFPEDAOHQF-YJBOKZPZSA-N -1 3 391.475 3.849 20 0 GHADHM Brc1csc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000823838288 608275475 /nfs/dbraw/zinc/27/54/75/608275475.db2.gz NVQGFMKZBSLCEJ-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM Brc1csc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000823838288 608275476 /nfs/dbraw/zinc/27/54/76/608275476.db2.gz NVQGFMKZBSLCEJ-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM CC1CCC(OC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)CC1 ZINC000824915566 608285991 /nfs/dbraw/zinc/28/59/91/608285991.db2.gz GOVVUFSDMGIOHB-UHFFFAOYSA-N -1 3 396.539 3.705 20 0 GHADHM CC1CCC(OC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)CC1 ZINC000824915566 608285993 /nfs/dbraw/zinc/28/59/93/608285993.db2.gz GOVVUFSDMGIOHB-UHFFFAOYSA-N -1 3 396.539 3.705 20 0 GHADHM COc1ccccc1Oc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000826221307 608286538 /nfs/dbraw/zinc/28/65/38/608286538.db2.gz YWZQXPZIJUABIB-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM COc1ccccc1Oc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1 ZINC000826221307 608286540 /nfs/dbraw/zinc/28/65/40/608286540.db2.gz YWZQXPZIJUABIB-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM COC(=O)[C@H](NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826111475 608291867 /nfs/dbraw/zinc/29/18/67/608291867.db2.gz FZLISSNQUXNWAJ-OAQYLSRUSA-N -1 3 399.454 3.538 20 0 GHADHM COC(=O)[C@H](NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826111475 608291868 /nfs/dbraw/zinc/29/18/68/608291868.db2.gz FZLISSNQUXNWAJ-OAQYLSRUSA-N -1 3 399.454 3.538 20 0 GHADHM Cn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccc(Cl)cc1 ZINC000826356333 608300052 /nfs/dbraw/zinc/30/00/52/608300052.db2.gz LWEBRQHIYRHOPM-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccc(Cl)cc1 ZINC000826356333 608300053 /nfs/dbraw/zinc/30/00/53/608300053.db2.gz LWEBRQHIYRHOPM-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cc1cccnc1NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826308929 608301646 /nfs/dbraw/zinc/30/16/46/608301646.db2.gz WBHBAANXIBUVHQ-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1cccnc1NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826308929 608301647 /nfs/dbraw/zinc/30/16/47/608301647.db2.gz WBHBAANXIBUVHQ-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824516544 608312395 /nfs/dbraw/zinc/31/23/95/608312395.db2.gz XZJDILUYQTUJLP-VHSXEESVSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824516544 608312396 /nfs/dbraw/zinc/31/23/96/608312396.db2.gz XZJDILUYQTUJLP-VHSXEESVSA-N -1 3 395.410 3.869 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN(C)Cc2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826331994 608315203 /nfs/dbraw/zinc/31/52/03/608315203.db2.gz GLTRXWFWSHTTNG-UHFFFAOYSA-N -1 3 399.458 3.739 20 0 GHADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385459 608345294 /nfs/dbraw/zinc/34/52/94/608345294.db2.gz GTRPVILIXKUWLC-OAHLLOKOSA-N -1 3 397.866 3.691 20 0 GHADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385459 608345295 /nfs/dbraw/zinc/34/52/95/608345295.db2.gz GTRPVILIXKUWLC-OAHLLOKOSA-N -1 3 397.866 3.691 20 0 GHADHM CCN(C(=O)c1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385369 608345664 /nfs/dbraw/zinc/34/56/64/608345664.db2.gz DIOXJEFEONBFOF-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385369 608345667 /nfs/dbraw/zinc/34/56/67/608345667.db2.gz DIOXJEFEONBFOF-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826307298 608404876 /nfs/dbraw/zinc/40/48/76/608404876.db2.gz BSISCJKQWNSKLN-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826307298 608404880 /nfs/dbraw/zinc/40/48/80/608404880.db2.gz BSISCJKQWNSKLN-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826282800 608435082 /nfs/dbraw/zinc/43/50/82/608435082.db2.gz CQZKPXAKIDXCSA-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826282800 608435083 /nfs/dbraw/zinc/43/50/83/608435083.db2.gz CQZKPXAKIDXCSA-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824178447 608436093 /nfs/dbraw/zinc/43/60/93/608436093.db2.gz SMJRJYZJGIOCDQ-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824178447 608436095 /nfs/dbraw/zinc/43/60/95/608436095.db2.gz SMJRJYZJGIOCDQ-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000824123633 608439703 /nfs/dbraw/zinc/43/97/03/608439703.db2.gz IWRDRHYRHXLKKN-UHFFFAOYSA-N -1 3 375.436 3.599 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000824123633 608439704 /nfs/dbraw/zinc/43/97/04/608439704.db2.gz IWRDRHYRHXLKKN-UHFFFAOYSA-N -1 3 375.436 3.599 20 0 GHADHM CC(C)(C)c1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000824141891 608461607 /nfs/dbraw/zinc/46/16/07/608461607.db2.gz NOQQPTSERINYPM-UHFFFAOYSA-N -1 3 380.521 3.910 20 0 GHADHM CC(C)(C)c1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000824141891 608461609 /nfs/dbraw/zinc/46/16/09/608461609.db2.gz NOQQPTSERINYPM-UHFFFAOYSA-N -1 3 380.521 3.910 20 0 GHADHM C[C@@H](c1nc(-c2ccccc2)no1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824777894 608463162 /nfs/dbraw/zinc/46/31/62/608463162.db2.gz LAXNEVUZSGJZOU-HNNXBMFYSA-N -1 3 399.458 3.767 20 0 GHADHM COc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826209847 608470956 /nfs/dbraw/zinc/47/09/56/608470956.db2.gz TUXDVZLZSGILHT-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM COc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1 ZINC000826209847 608470957 /nfs/dbraw/zinc/47/09/57/608470957.db2.gz TUXDVZLZSGILHT-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM Cc1ccc(CCCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826287600 608478692 /nfs/dbraw/zinc/47/86/92/608478692.db2.gz VSUAIXCTCQHOBZ-UHFFFAOYSA-N -1 3 387.487 3.814 20 0 GHADHM Cc1ccc(CCCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826287600 608478694 /nfs/dbraw/zinc/47/86/94/608478694.db2.gz VSUAIXCTCQHOBZ-UHFFFAOYSA-N -1 3 387.487 3.814 20 0 GHADHM O=C([C@@H](c1ccccc1)C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397315 608479272 /nfs/dbraw/zinc/47/92/72/608479272.db2.gz ASOKNVJTFUCJLN-NRFANRHFSA-N -1 3 385.471 3.676 20 0 GHADHM O=C([C@@H](c1ccccc1)C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397315 608479274 /nfs/dbraw/zinc/47/92/74/608479274.db2.gz ASOKNVJTFUCJLN-NRFANRHFSA-N -1 3 385.471 3.676 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826400524 608487272 /nfs/dbraw/zinc/48/72/72/608487272.db2.gz AUMMXBTXJMQKEJ-SOFGYWHQSA-N -1 3 397.891 3.911 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826400524 608487273 /nfs/dbraw/zinc/48/72/73/608487273.db2.gz AUMMXBTXJMQKEJ-SOFGYWHQSA-N -1 3 397.891 3.911 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(Cc1cnc2ccc(-c3nnn[n-]3)cn12)C1CC1 ZINC000824769854 608518702 /nfs/dbraw/zinc/51/87/02/608518702.db2.gz CFZYESCHYSBPPX-ZDUSSCGKSA-N -1 3 393.882 3.893 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(Cc1cnc2ccc(-c3nn[n-]n3)cn12)C1CC1 ZINC000824769854 608518707 /nfs/dbraw/zinc/51/87/07/608518707.db2.gz CFZYESCHYSBPPX-ZDUSSCGKSA-N -1 3 393.882 3.893 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824770011 608524028 /nfs/dbraw/zinc/52/40/28/608524028.db2.gz CKCOYHRXMURQQW-SNVBAGLBSA-N -1 3 378.299 3.884 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824770011 608524030 /nfs/dbraw/zinc/52/40/30/608524030.db2.gz CKCOYHRXMURQQW-SNVBAGLBSA-N -1 3 378.299 3.884 20 0 GHADHM c1ccc([C@@H](CC2CC2)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826520766 608528711 /nfs/dbraw/zinc/52/87/11/608528711.db2.gz QTYAZGUEZLRTQI-GOSISDBHSA-N -1 3 387.447 3.548 20 0 GHADHM COCCN(Cc1ccc(-c2nnn[n-]2)o1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000826159256 608567330 /nfs/dbraw/zinc/56/73/30/608567330.db2.gz ZCLXUCUEMKXSEY-GFCCVEGCSA-N -1 3 395.385 3.688 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826402559 608592824 /nfs/dbraw/zinc/59/28/24/608592824.db2.gz WZQLQQWYHCXKDC-PYUISTEWSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826402559 608592828 /nfs/dbraw/zinc/59/28/28/608592828.db2.gz WZQLQQWYHCXKDC-PYUISTEWSA-N -1 3 395.850 3.563 20 0 GHADHM CCCc1nc2ccccc2n1CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825351363 608761409 /nfs/dbraw/zinc/76/14/09/608761409.db2.gz BZJMUTWWKRWHNI-UHFFFAOYSA-N -1 3 389.463 3.506 20 0 GHADHM CCCc1nc2ccccc2n1CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825351363 608761410 /nfs/dbraw/zinc/76/14/10/608761410.db2.gz BZJMUTWWKRWHNI-UHFFFAOYSA-N -1 3 389.463 3.506 20 0 GHADHM CCc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000825711893 608819887 /nfs/dbraw/zinc/81/98/87/608819887.db2.gz IJOCNIQZIZEELH-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM CCc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000825711893 608819889 /nfs/dbraw/zinc/81/98/89/608819889.db2.gz IJOCNIQZIZEELH-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM CC(C)C[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245169 609171072 /nfs/dbraw/zinc/17/10/72/609171072.db2.gz WMHMEGUWSJDCBC-CHWSQXEVSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)C[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245169 609171074 /nfs/dbraw/zinc/17/10/74/609171074.db2.gz WMHMEGUWSJDCBC-CHWSQXEVSA-N -1 3 388.422 3.699 20 0 GHADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](CC)c1ccccc1 ZINC000825281651 609231509 /nfs/dbraw/zinc/23/15/09/609231509.db2.gz IPHBEZKYZPOKEC-PMACEKPBSA-N -1 3 393.491 3.680 20 0 GHADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](CC)c1ccccc1 ZINC000825281651 609231510 /nfs/dbraw/zinc/23/15/10/609231510.db2.gz IPHBEZKYZPOKEC-PMACEKPBSA-N -1 3 393.491 3.680 20 0 GHADHM c1cc(OC[C@@H]2CCCO2)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517378 609238084 /nfs/dbraw/zinc/23/80/84/609238084.db2.gz AAOOKOQUWCRMGU-FPOVZHCZSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(OC[C@@H]2CCCO2)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517378 609238085 /nfs/dbraw/zinc/23/80/85/609238085.db2.gz AAOOKOQUWCRMGU-FPOVZHCZSA-N -1 3 391.475 3.914 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825148265 609240669 /nfs/dbraw/zinc/24/06/69/609240669.db2.gz PDJOZMSLNOYGLN-IBGZPJMESA-N -1 3 384.528 3.599 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825148265 609240671 /nfs/dbraw/zinc/24/06/71/609240671.db2.gz PDJOZMSLNOYGLN-IBGZPJMESA-N -1 3 384.528 3.599 20 0 GHADHM Cc1cccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1C ZINC000826296246 609243033 /nfs/dbraw/zinc/24/30/33/609243033.db2.gz OPSIISOYFXUSIV-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1cccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1C ZINC000826296246 609243035 /nfs/dbraw/zinc/24/30/35/609243035.db2.gz OPSIISOYFXUSIV-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992206 609276464 /nfs/dbraw/zinc/27/64/64/609276464.db2.gz KRRCMIUIFQILDD-BZUAXINKSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992206 609276466 /nfs/dbraw/zinc/27/64/66/609276466.db2.gz KRRCMIUIFQILDD-BZUAXINKSA-N -1 3 378.480 3.653 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cccc1C(=O)N1CCCC1 ZINC000826242198 609276775 /nfs/dbraw/zinc/27/67/75/609276775.db2.gz DXQCJKLBAOFJII-CQSZACIVSA-N -1 3 394.454 3.723 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cccc1C(=O)N1CCCC1 ZINC000826242198 609276776 /nfs/dbraw/zinc/27/67/76/609276776.db2.gz DXQCJKLBAOFJII-CQSZACIVSA-N -1 3 394.454 3.723 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC000824522883 609287683 /nfs/dbraw/zinc/28/76/83/609287683.db2.gz WEEYLVRVVXJCEJ-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000824522883 609287685 /nfs/dbraw/zinc/28/76/85/609287685.db2.gz WEEYLVRVVXJCEJ-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454966 609291136 /nfs/dbraw/zinc/29/11/36/609291136.db2.gz SXLONYPBKMXNCV-UHFFFAOYSA-N -1 3 386.818 3.512 20 0 GHADHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454966 609291138 /nfs/dbraw/zinc/29/11/38/609291138.db2.gz SXLONYPBKMXNCV-UHFFFAOYSA-N -1 3 386.818 3.512 20 0 GHADHM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455544 609293915 /nfs/dbraw/zinc/29/39/15/609293915.db2.gz SZRCNTSVHKBAJC-UHFFFAOYSA-N -1 3 389.753 3.586 20 0 GHADHM O=C(NCc1ccc(F)cc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826442341 609304708 /nfs/dbraw/zinc/30/47/08/609304708.db2.gz RRUMJXFZZUARES-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccc(F)cc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826442341 609304710 /nfs/dbraw/zinc/30/47/10/609304710.db2.gz RRUMJXFZZUARES-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)COC(C)(C)C ZINC000826271692 609315158 /nfs/dbraw/zinc/31/51/58/609315158.db2.gz CUWFDIUCOATKPU-UHFFFAOYSA-N -1 3 381.436 3.721 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)COC(C)(C)C ZINC000826271692 609315160 /nfs/dbraw/zinc/31/51/60/609315160.db2.gz CUWFDIUCOATKPU-UHFFFAOYSA-N -1 3 381.436 3.721 20 0 GHADHM CCCN(CC(F)F)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825308141 609316590 /nfs/dbraw/zinc/31/65/90/609316590.db2.gz WFXWVRDCSDBGJZ-UHFFFAOYSA-N -1 3 387.390 3.776 20 0 GHADHM CCCN(CC(F)F)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825308141 609316592 /nfs/dbraw/zinc/31/65/92/609316592.db2.gz WFXWVRDCSDBGJZ-UHFFFAOYSA-N -1 3 387.390 3.776 20 0 GHADHM COCC[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000826155021 609322978 /nfs/dbraw/zinc/32/29/78/609322978.db2.gz CUDFTCSMJRMDOF-AWEZNQCLSA-N -1 3 381.358 3.977 20 0 GHADHM COCC[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000826155021 609322980 /nfs/dbraw/zinc/32/29/80/609322980.db2.gz CUDFTCSMJRMDOF-AWEZNQCLSA-N -1 3 381.358 3.977 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826227765 609324573 /nfs/dbraw/zinc/32/45/73/609324573.db2.gz XKZWEIUVTOGJTG-KBPBESRZSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826227765 609324574 /nfs/dbraw/zinc/32/45/74/609324574.db2.gz XKZWEIUVTOGJTG-KBPBESRZSA-N -1 3 395.488 3.673 20 0 GHADHM Cc1cc2ncn(Cc3ccc(-c4nnn[n-]4)cc3Br)c2cc1C ZINC000826272781 609325970 /nfs/dbraw/zinc/32/59/70/609325970.db2.gz AMZVXOJBQDXCLA-UHFFFAOYSA-N -1 3 383.253 3.644 20 0 GHADHM Cc1cc2ncn(Cc3ccc(-c4nn[n-]n4)cc3Br)c2cc1C ZINC000826272781 609325972 /nfs/dbraw/zinc/32/59/72/609325972.db2.gz AMZVXOJBQDXCLA-UHFFFAOYSA-N -1 3 383.253 3.644 20 0 GHADHM C[C@H](N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539650 609331771 /nfs/dbraw/zinc/33/17/71/609331771.db2.gz PBXVMUNGGBUITP-YXKWSERDSA-N -1 3 385.418 3.716 20 0 GHADHM CCc1noc(C)c1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825777361 609332595 /nfs/dbraw/zinc/33/25/95/609332595.db2.gz SVRVTZRHBXENGP-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1noc(C)c1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825777361 609332596 /nfs/dbraw/zinc/33/25/96/609332596.db2.gz SVRVTZRHBXENGP-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826180115 609336134 /nfs/dbraw/zinc/33/61/34/609336134.db2.gz SMBCLIYRQNXKCI-WDEREUQCSA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826180115 609336137 /nfs/dbraw/zinc/33/61/37/609336137.db2.gz SMBCLIYRQNXKCI-WDEREUQCSA-N -1 3 389.406 3.574 20 0 GHADHM COc1ccc(Cl)c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826208335 609342696 /nfs/dbraw/zinc/34/26/96/609342696.db2.gz FTCGHHMLRZDUQU-UHFFFAOYSA-N -1 3 395.854 3.541 20 0 GHADHM COc1ccc(Cl)c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826208335 609342697 /nfs/dbraw/zinc/34/26/97/609342697.db2.gz FTCGHHMLRZDUQU-UHFFFAOYSA-N -1 3 395.854 3.541 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658021 609347432 /nfs/dbraw/zinc/34/74/32/609347432.db2.gz UHNMYAZBDTVTJI-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658021 609347434 /nfs/dbraw/zinc/34/74/34/609347434.db2.gz UHNMYAZBDTVTJI-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367426 609375972 /nfs/dbraw/zinc/37/59/72/609375972.db2.gz PWCPNKLKRQHDIG-FCEWJHQRSA-N -1 3 385.512 3.618 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367426 609375975 /nfs/dbraw/zinc/37/59/75/609375975.db2.gz PWCPNKLKRQHDIG-FCEWJHQRSA-N -1 3 385.512 3.618 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000824215858 609389338 /nfs/dbraw/zinc/38/93/38/609389338.db2.gz NCOIURWOEGBBJB-NHYWBVRUSA-N -1 3 397.401 3.665 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000824215858 609389340 /nfs/dbraw/zinc/38/93/40/609389340.db2.gz NCOIURWOEGBBJB-NHYWBVRUSA-N -1 3 397.401 3.665 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1-c1nnn[n-]1 ZINC000824919740 609405271 /nfs/dbraw/zinc/40/52/71/609405271.db2.gz XUXRIAXQSIPZPY-VBKZILBWSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1-c1nn[n-]n1 ZINC000824919740 609405272 /nfs/dbraw/zinc/40/52/72/609405272.db2.gz XUXRIAXQSIPZPY-VBKZILBWSA-N -1 3 384.484 3.698 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CCO1 ZINC000826369300 609411041 /nfs/dbraw/zinc/41/10/41/609411041.db2.gz WVAJUQLPEACHDX-OAHLLOKOSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)CCO1 ZINC000826369300 609411042 /nfs/dbraw/zinc/41/10/42/609411042.db2.gz WVAJUQLPEACHDX-OAHLLOKOSA-N -1 3 395.410 3.521 20 0 GHADHM O=C(CNc1csc2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826414310 609440262 /nfs/dbraw/zinc/44/02/62/609440262.db2.gz PFPUDSFMESEDPU-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM O=C(CNc1csc2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826414310 609440265 /nfs/dbraw/zinc/44/02/65/609440265.db2.gz PFPUDSFMESEDPU-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM Fc1cc(NCc2cc(-c3nnn[n-]3)cs2)cc(F)c1N1CCCCC1 ZINC000826372647 609446676 /nfs/dbraw/zinc/44/66/76/609446676.db2.gz GPDCGXZUBPNOSH-UHFFFAOYSA-N -1 3 376.436 3.809 20 0 GHADHM Fc1cc(NCc2cc(-c3nn[n-]n3)cs2)cc(F)c1N1CCCCC1 ZINC000826372647 609446679 /nfs/dbraw/zinc/44/66/79/609446679.db2.gz GPDCGXZUBPNOSH-UHFFFAOYSA-N -1 3 376.436 3.809 20 0 GHADHM FC(F)(F)CCCCNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826367912 609447023 /nfs/dbraw/zinc/44/70/23/609447023.db2.gz UDAVLHVFIGVIMA-UHFFFAOYSA-N -1 3 385.781 3.850 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000824359613 609474387 /nfs/dbraw/zinc/47/43/87/609474387.db2.gz YEEFARYQFSVROZ-OAHLLOKOSA-N -1 3 396.455 3.522 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000824359613 609474388 /nfs/dbraw/zinc/47/43/88/609474388.db2.gz YEEFARYQFSVROZ-OAHLLOKOSA-N -1 3 396.455 3.522 20 0 GHADHM Fc1cc(Br)cc(F)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826372461 609479227 /nfs/dbraw/zinc/47/92/27/609479227.db2.gz XOCPOAIKSLKSLW-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(Br)cc(F)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826372461 609479229 /nfs/dbraw/zinc/47/92/29/609479229.db2.gz XOCPOAIKSLKSLW-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1OCC(F)(F)F ZINC000826271235 609479488 /nfs/dbraw/zinc/47/94/88/609479488.db2.gz JBZYIDGKKUYATE-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)ccc1OCC(F)(F)F ZINC000826271235 609479490 /nfs/dbraw/zinc/47/94/90/609479490.db2.gz JBZYIDGKKUYATE-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Fc1c(CNc2cccc3c2CN(c2ccccn2)C3)cccc1-c1nnn[n-]1 ZINC000826370601 609481597 /nfs/dbraw/zinc/48/15/97/609481597.db2.gz ADOLXEYJAHUYHF-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM Fc1c(CNc2cccc3c2CN(c2ccccn2)C3)cccc1-c1nn[n-]n1 ZINC000826370601 609481598 /nfs/dbraw/zinc/48/15/98/609481598.db2.gz ADOLXEYJAHUYHF-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cncc3ccccc32)cc1-c1nnn[n-]1 ZINC000825553807 609490910 /nfs/dbraw/zinc/49/09/10/609490910.db2.gz XNJSUXKGTIFOLW-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cncc3ccccc32)cc1-c1nn[n-]n1 ZINC000825553807 609490912 /nfs/dbraw/zinc/49/09/12/609490912.db2.gz XNJSUXKGTIFOLW-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000824309390 609491962 /nfs/dbraw/zinc/49/19/62/609491962.db2.gz MNDWDPPAOSDTTR-UHFFFAOYSA-N -1 3 377.514 3.731 20 0 GHADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000824309390 609491964 /nfs/dbraw/zinc/49/19/64/609491964.db2.gz MNDWDPPAOSDTTR-UHFFFAOYSA-N -1 3 377.514 3.731 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccnc1C1CC1 ZINC000826455437 609491967 /nfs/dbraw/zinc/49/19/67/609491967.db2.gz NYHWTDPJHYUMQH-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)o1 ZINC000826458977 609500900 /nfs/dbraw/zinc/50/09/00/609500900.db2.gz OZLZOKJIWUNNGM-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H](C)[C@H](C)CC ZINC000825604679 609510136 /nfs/dbraw/zinc/51/01/36/609510136.db2.gz JOVWTSZUHDCSMY-NXEZZACHSA-N -1 3 397.273 3.616 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H](C)[C@H](C)CC ZINC000825604679 609510138 /nfs/dbraw/zinc/51/01/38/609510138.db2.gz JOVWTSZUHDCSMY-NXEZZACHSA-N -1 3 397.273 3.616 20 0 GHADHM O=C(NC[C@H]1CCCCS1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826435384 609513685 /nfs/dbraw/zinc/51/36/85/609513685.db2.gz NARPZQHBIFAOCN-CQSZACIVSA-N -1 3 379.489 3.549 20 0 GHADHM O=C(NC[C@H]1CCCCS1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826435384 609513688 /nfs/dbraw/zinc/51/36/88/609513688.db2.gz NARPZQHBIFAOCN-CQSZACIVSA-N -1 3 379.489 3.549 20 0 GHADHM CC1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCC(F)(F)CC1 ZINC000824833100 609514578 /nfs/dbraw/zinc/51/45/78/609514578.db2.gz XLEDWDQIWHTUTD-UHFFFAOYSA-N -1 3 393.438 3.500 20 0 GHADHM CC1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCC(F)(F)CC1 ZINC000824833100 609514580 /nfs/dbraw/zinc/51/45/80/609514580.db2.gz XLEDWDQIWHTUTD-UHFFFAOYSA-N -1 3 393.438 3.500 20 0 GHADHM Cc1c(Cl)cnc(Nc2cnn(CC(C)C)c2C(F)F)c1-c1nnn[n-]1 ZINC000826240315 609583339 /nfs/dbraw/zinc/58/33/39/609583339.db2.gz MNLBFFQQKNUZLL-UHFFFAOYSA-N -1 3 382.806 3.757 20 0 GHADHM Cc1c(Cl)cnc(Nc2cnn(CC(C)C)c2C(F)F)c1-c1nn[n-]n1 ZINC000826240315 609583341 /nfs/dbraw/zinc/58/33/41/609583341.db2.gz MNLBFFQQKNUZLL-UHFFFAOYSA-N -1 3 382.806 3.757 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C2CCCC1CCC2 ZINC000683488854 837404420 /nfs/dbraw/zinc/40/44/20/837404420.db2.gz YBYNGNSEAHUKBV-UHFFFAOYSA-N -1 3 375.266 3.838 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOCC)cc2)c(C)c1 ZINC000063443229 837470330 /nfs/dbraw/zinc/47/03/30/837470330.db2.gz OETJIGUOXYLICZ-UHFFFAOYSA-N -1 3 393.505 4.000 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)c(F)cc1F ZINC000176637122 837473845 /nfs/dbraw/zinc/47/38/45/837473845.db2.gz ZMSSAUFGSGPIQB-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1SC ZINC000414390714 837613683 /nfs/dbraw/zinc/61/36/83/837613683.db2.gz YDEIDTNLUCVFBX-UHFFFAOYSA-N -1 3 383.491 3.544 20 0 GHADHM N#CC(=C([O-])C(=Cc1cccs1)n1nnnc1-c1ccccc1)c1ccccn1 ZINC000049457065 834369975 /nfs/dbraw/zinc/36/99/75/834369975.db2.gz DEBFIYCLVZZXDC-NFBGKYEXSA-N -1 3 398.451 3.671 20 0 GHADHM CN(Cc1ccccc1)c1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278285959 834521668 /nfs/dbraw/zinc/52/16/68/834521668.db2.gz VYKYUQNCEJUMEA-INIZCTEOSA-N -1 3 377.366 3.700 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)c1[O-] ZINC000579776621 834640026 /nfs/dbraw/zinc/64/00/26/834640026.db2.gz XKOPKYINOSARQQ-UHFFFAOYSA-N -1 3 375.371 3.560 20 0 GHADHM COCCN(Cc1ccccn1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094035045 834714015 /nfs/dbraw/zinc/71/40/15/834714015.db2.gz FEGOTMQFPMCMPS-UHFFFAOYSA-N -1 3 390.483 3.861 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(OC)c(OC)cc2SC)cc1 ZINC000683170801 834905290 /nfs/dbraw/zinc/90/52/90/834905290.db2.gz BAVHUYCBJBEYCE-INIZCTEOSA-N -1 3 391.489 3.740 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c(Br)c2)cc1 ZINC000683171627 834910724 /nfs/dbraw/zinc/91/07/24/834910724.db2.gz NNJNFJZJSHIXRQ-MRXNPFEDSA-N -1 3 394.265 3.772 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000683171400 834911053 /nfs/dbraw/zinc/91/10/53/834911053.db2.gz JOERHAHVOJSSRE-SFTDATJTSA-N -1 3 385.460 3.559 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000472299647 834913565 /nfs/dbraw/zinc/91/35/65/834913565.db2.gz OULWAUBWFZKOMF-JTQLQIEISA-N -1 3 381.429 3.600 20 0 GHADHM CC(C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000655023469 834982919 /nfs/dbraw/zinc/98/29/19/834982919.db2.gz LAWBDIOCELOIDB-UHFFFAOYSA-N -1 3 381.354 3.623 20 0 GHADHM CC(C)(C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1F ZINC000511301930 835101323 /nfs/dbraw/zinc/10/13/23/835101323.db2.gz BXWVFIHQHJKSJE-UHFFFAOYSA-N -1 3 376.229 3.574 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]2CCC[C@H]21 ZINC000583832369 835107856 /nfs/dbraw/zinc/10/78/56/835107856.db2.gz AECHBPAIXUAKDJ-CZUORRHYSA-N -1 3 389.293 3.941 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)C)ccc2C)cc1 ZINC000008294915 835120712 /nfs/dbraw/zinc/12/07/12/835120712.db2.gz WJFCTLCAAVWHIP-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 ZINC000536155924 835210484 /nfs/dbraw/zinc/21/04/84/835210484.db2.gz VCLRXBSAXATLGC-DOTOQJQBSA-N -1 3 385.316 3.717 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000612038043 835422633 /nfs/dbraw/zinc/42/26/33/835422633.db2.gz SVOOGFANRXTDSZ-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[O-] ZINC000412262153 844056653 /nfs/dbraw/zinc/05/66/53/844056653.db2.gz QROAPHZCCIEULH-AWEZNQCLSA-N -1 3 392.377 3.622 20 0 GHADHM CC1(C(=O)[O-])CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000647373805 835506330 /nfs/dbraw/zinc/50/63/30/835506330.db2.gz PBJQNOJPLGGLEI-UHFFFAOYSA-N -1 3 390.499 3.674 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000500933115 844063279 /nfs/dbraw/zinc/06/32/79/844063279.db2.gz FVXSYEWRGJTQBA-ZDUSSCGKSA-N -1 3 394.226 3.825 20 0 GHADHM O=C(C[C@H]1CCOc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000151612330 835655132 /nfs/dbraw/zinc/65/51/32/835655132.db2.gz MFQBEVGBAGDRPE-CYBMUJFWSA-N -1 3 376.250 3.727 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000151632252 835677359 /nfs/dbraw/zinc/67/73/59/835677359.db2.gz CXTVHYOHRFPRQS-MNOVXSKESA-N -1 3 382.204 3.853 20 0 GHADHM CC(C)CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047271603 835683571 /nfs/dbraw/zinc/68/35/71/835683571.db2.gz DWLADVJJCVAQAY-CYBMUJFWSA-N -1 3 381.473 3.509 20 0 GHADHM CCCCCC[C@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065787217 835683937 /nfs/dbraw/zinc/68/39/37/835683937.db2.gz VHNYTCJVABFPFJ-AWEZNQCLSA-N -1 3 385.530 3.937 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)nn1 ZINC000584147814 835693694 /nfs/dbraw/zinc/69/36/94/835693694.db2.gz VOCGIPHCZKMANN-UHFFFAOYSA-N -1 3 392.485 3.568 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)c(F)cc1F ZINC000512990201 844078309 /nfs/dbraw/zinc/07/83/09/844078309.db2.gz CONSTOHKUKANRJ-RDTXWAMCSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511247411 835705087 /nfs/dbraw/zinc/70/50/87/835705087.db2.gz CCSQXGDFQVQCJT-AWEZNQCLSA-N -1 3 390.383 3.620 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429955786 844080528 /nfs/dbraw/zinc/08/05/28/844080528.db2.gz QMUIGQWODFNJFI-GXTWGEPZSA-N -1 3 397.342 3.657 20 0 GHADHM Cc1sc2[nH]c(CCC(=O)Nc3cc(Cl)ccc3[O-])nc(=O)c2c1C ZINC000063296913 835740668 /nfs/dbraw/zinc/74/06/68/835740668.db2.gz RLPXQNJLSRBOBS-UHFFFAOYSA-N -1 3 377.853 3.532 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)CCNCc2c(F)ccc([O-])c2F)cc1 ZINC000509871283 844085232 /nfs/dbraw/zinc/08/52/32/844085232.db2.gz PWLLYVRAKAFCDJ-UHFFFAOYSA-N -1 3 383.460 3.531 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429951513 844086714 /nfs/dbraw/zinc/08/67/14/844086714.db2.gz IZSAJPFTRRJYMQ-JTQLQIEISA-N -1 3 393.310 3.641 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ncc(C(F)(F)F)cc1Cl ZINC001125306085 835780364 /nfs/dbraw/zinc/78/03/64/835780364.db2.gz OMRSBBBQHFVGND-UHFFFAOYSA-N -1 3 381.745 3.646 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccc4c(c3)OCO4)cc2)n1 ZINC000255012607 835847999 /nfs/dbraw/zinc/84/79/99/835847999.db2.gz MCROYQCDYAAGMQ-OQFOIZHKSA-N -1 3 375.384 3.538 20 0 GHADHM COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1NC(=O)OC(C)(C)C ZINC000274966107 835860383 /nfs/dbraw/zinc/86/03/83/835860383.db2.gz XIACULZLZDCSMO-OAHLLOKOSA-N -1 3 381.429 3.622 20 0 GHADHM COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1NC(=O)OC(C)(C)C ZINC000274966107 835860400 /nfs/dbraw/zinc/86/04/00/835860400.db2.gz XIACULZLZDCSMO-OAHLLOKOSA-N -1 3 381.429 3.622 20 0 GHADHM O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])c(Br)c1 ZINC000179638576 835920732 /nfs/dbraw/zinc/92/07/32/835920732.db2.gz MVDBKXAAYLHBTO-UHFFFAOYSA-N -1 3 384.613 3.638 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OC ZINC000065658736 835937726 /nfs/dbraw/zinc/93/77/26/835937726.db2.gz LGHFMADSUNLTHP-DHZHZOJOSA-N -1 3 394.880 3.762 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC[C@H]1O ZINC000509894666 844144549 /nfs/dbraw/zinc/14/45/49/844144549.db2.gz PPBUJXZMNWWLIH-ZIAGYGMSSA-N -1 3 385.835 3.578 20 0 GHADHM [O-]c1ccc(F)c(CNC[C@H](O)COc2cccc(Cl)c2Cl)c1F ZINC000510184147 836664196 /nfs/dbraw/zinc/66/41/96/836664196.db2.gz IZKCSRMQSANOND-VIFPVBQESA-N -1 3 378.202 3.507 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cccc(OC3CCCC3)c2)n1 ZINC000636114943 836711790 /nfs/dbraw/zinc/71/17/90/836711790.db2.gz LDAAMXNKVARONF-UHFFFAOYSA-N -1 3 383.492 3.796 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc([C@H](C)N2CCOCC2)c1 ZINC000430355228 836772730 /nfs/dbraw/zinc/77/27/30/836772730.db2.gz PJSPZAGLZYRHHQ-INIZCTEOSA-N -1 3 392.496 3.637 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc([C@@H](C)N2CCOCC2)c1 ZINC000430355229 836773589 /nfs/dbraw/zinc/77/35/89/836773589.db2.gz PJSPZAGLZYRHHQ-MRXNPFEDSA-N -1 3 392.496 3.637 20 0 GHADHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000570378152 836779107 /nfs/dbraw/zinc/77/91/07/836779107.db2.gz LPXBPBFDCKQTHO-LBPRGKRZSA-N -1 3 388.320 3.607 20 0 GHADHM C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2ccccc2c1 ZINC000175535720 836869209 /nfs/dbraw/zinc/86/92/09/836869209.db2.gz QGYLUCMUNXWXDA-KRWDZBQOSA-N -1 3 388.467 3.634 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)ccc1C(F)(F)F ZINC000685901913 836929571 /nfs/dbraw/zinc/92/95/71/836929571.db2.gz UZMLSDLPEUQNDG-UHFFFAOYSA-N -1 3 389.395 3.576 20 0 GHADHM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000685902358 836940129 /nfs/dbraw/zinc/94/01/29/836940129.db2.gz GBAXEPLSAXLOAB-UHFFFAOYSA-N -1 3 377.388 3.636 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000176388304 837311620 /nfs/dbraw/zinc/31/16/20/837311620.db2.gz LRVPQMRABRTVNU-UHFFFAOYSA-N -1 3 382.439 3.648 20 0 GHADHM O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623016371 837884538 /nfs/dbraw/zinc/88/45/38/837884538.db2.gz SAWLHLLKEBTZGC-UHFFFAOYSA-N -1 3 378.350 3.899 20 0 GHADHM CCCc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)[nH]c(C)c1C(C)=O ZINC000783062327 838020723 /nfs/dbraw/zinc/02/07/23/838020723.db2.gz DBBAZKDPUBBODW-UHFFFAOYSA-N -1 3 383.404 3.591 20 0 GHADHM C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000728724093 838146944 /nfs/dbraw/zinc/14/69/44/838146944.db2.gz HZMHTIBOCANCIG-ZDUSSCGKSA-N -1 3 388.420 3.873 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c(=O)[n-]1 ZINC000031226467 838246729 /nfs/dbraw/zinc/24/67/29/838246729.db2.gz ZIIPCYRDQNYXBR-UHFFFAOYSA-N -1 3 394.500 3.570 20 0 GHADHM CCCCS[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000609191771 838263745 /nfs/dbraw/zinc/26/37/45/838263745.db2.gz ROZYBRBHJOAVEU-SNVBAGLBSA-N -1 3 398.472 3.937 20 0 GHADHM CC(C)Cn1nccc1CN[C@@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000647646704 838319262 /nfs/dbraw/zinc/31/92/62/838319262.db2.gz JYDNUTYMAXUYFU-SUMWQHHRSA-N -1 3 394.313 3.853 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)c1 ZINC000122891969 838365088 /nfs/dbraw/zinc/36/50/88/838365088.db2.gz IEYGITKQCUSWKZ-FQEVSTJZSA-N -1 3 396.487 3.523 20 0 GHADHM CC(C)(C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C(F)F ZINC000473405011 844322605 /nfs/dbraw/zinc/32/26/05/844322605.db2.gz XZMMHTWGLGHVGN-UHFFFAOYSA-N -1 3 376.176 3.630 20 0 GHADHM O=S(=O)([N-]CCCc1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000178914891 838488567 /nfs/dbraw/zinc/48/85/67/838488567.db2.gz YVWDHNGUSFOSCX-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)sc1Cl ZINC000188088575 838528313 /nfs/dbraw/zinc/52/83/13/838528313.db2.gz BKFLMPQMLPPCEG-NSHDSACASA-N -1 3 397.909 3.723 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1nc(F)ccc1Br ZINC001125414769 838754675 /nfs/dbraw/zinc/75/46/75/838754675.db2.gz CYPRUXJYWXVNCE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1O ZINC000182618527 838758029 /nfs/dbraw/zinc/75/80/29/838758029.db2.gz DQRPWPCQYVPFTM-HXUWFJFHSA-N -1 3 390.439 3.906 20 0 GHADHM CC(C)c1c(C(=O)N2CCCc3c(=O)[n-]cnc32)cnn1-c1ccc(Cl)cc1 ZINC000893213365 838923643 /nfs/dbraw/zinc/92/36/43/838923643.db2.gz SVRNWIWBLGMWMS-UHFFFAOYSA-N -1 3 397.866 3.738 20 0 GHADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000416321734 838949160 /nfs/dbraw/zinc/94/91/60/838949160.db2.gz LOPRMMMYEJSCNH-WOYCLPQFSA-N -1 3 380.488 3.756 20 0 GHADHM Cc1occc1CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183371247 838967033 /nfs/dbraw/zinc/96/70/33/838967033.db2.gz JHVUDNLCNWJSJH-OAQYLSRUSA-N -1 3 392.455 3.813 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1ccc(Cl)cc1F ZINC000048671525 839250832 /nfs/dbraw/zinc/25/08/32/839250832.db2.gz IJBORXGQXCOJDJ-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000416484356 839311670 /nfs/dbraw/zinc/31/16/70/839311670.db2.gz SNWUMUZDCOFVQW-NSHDSACASA-N -1 3 395.855 3.621 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000189385851 839445485 /nfs/dbraw/zinc/44/54/85/839445485.db2.gz LDZWYZAPWZQZEQ-UHFFFAOYSA-N -1 3 396.516 3.739 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1noc(-c2ccccc2)n1 ZINC000363897318 839466676 /nfs/dbraw/zinc/46/66/76/839466676.db2.gz YJJVQRALVMSVLW-GFCCVEGCSA-N -1 3 377.853 3.571 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000644279319 839538757 /nfs/dbraw/zinc/53/87/57/839538757.db2.gz NBOXZNHWNYJTSF-RISCZKNCSA-N -1 3 385.835 3.588 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c2[O-] ZINC000181808571 839772989 /nfs/dbraw/zinc/77/29/89/839772989.db2.gz BLLDGDGOOWDARU-HNNXBMFYSA-N -1 3 391.258 3.958 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000129980336 840069768 /nfs/dbraw/zinc/06/97/68/840069768.db2.gz ILAJHRCQNAPXGC-ZIAGYGMSSA-N -1 3 384.398 3.778 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3cccs3)n2)n[nH]1 ZINC000048011934 840087149 /nfs/dbraw/zinc/08/71/49/840087149.db2.gz FLJNYBLMKLWDEP-UHFFFAOYSA-N -1 3 383.458 3.918 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759851524 840201156 /nfs/dbraw/zinc/20/11/56/840201156.db2.gz KXHBVPMTELSTIQ-LJQANCHMSA-N -1 3 377.843 3.813 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c1 ZINC000433498665 844520882 /nfs/dbraw/zinc/52/08/82/844520882.db2.gz WVGHDAZSJMGSPC-UHFFFAOYSA-N -1 3 396.468 3.941 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000433519311 844533706 /nfs/dbraw/zinc/53/37/06/844533706.db2.gz WOZKEBYZRSMWMY-UHFFFAOYSA-N -1 3 396.468 3.941 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000511702947 840533104 /nfs/dbraw/zinc/53/31/04/840533104.db2.gz ZWNZXQPFGAGRGH-CQSZACIVSA-N -1 3 377.462 3.826 20 0 GHADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000511750404 840629513 /nfs/dbraw/zinc/62/95/13/840629513.db2.gz GLQYELBPKKCLLS-KRWDZBQOSA-N -1 3 398.340 3.757 20 0 GHADHM C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000656399114 840746585 /nfs/dbraw/zinc/74/65/85/840746585.db2.gz RQFUZGAFXVLCIA-CQSZACIVSA-N -1 3 395.532 3.548 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511784994 840750888 /nfs/dbraw/zinc/75/08/88/840750888.db2.gz JELYEHRDTZOVTK-QGZVFWFLSA-N -1 3 399.249 3.850 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C(C)(C)C)[nH]n1 ZINC000128338687 840816217 /nfs/dbraw/zinc/81/62/17/840816217.db2.gz KNTVXGDHBBNCES-NSHDSACASA-N -1 3 388.855 3.639 20 0 GHADHM Cc1nnc(-c2ccccc2C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)o1 ZINC000780390924 840827625 /nfs/dbraw/zinc/82/76/25/840827625.db2.gz LBAFXAJJIBIJNK-UHFFFAOYSA-N -1 3 388.383 3.735 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000545587338 840831727 /nfs/dbraw/zinc/83/17/27/840831727.db2.gz SFJGGCOOASKCHN-UHFFFAOYSA-N -1 3 383.351 3.794 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000432143372 840836823 /nfs/dbraw/zinc/83/68/23/840836823.db2.gz NECIQJDGSMFSIQ-UHFFFAOYSA-N -1 3 399.376 3.757 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC001211737103 844589952 /nfs/dbraw/zinc/58/99/52/844589952.db2.gz QDQXTTKYEKKPNV-TZMCWYRMSA-N -1 3 385.407 3.727 20 0 GHADHM Cc1c(C(=O)Nc2cc(I)ccc2[O-])cnn1C(C)(C)C ZINC000610490333 840946934 /nfs/dbraw/zinc/94/69/34/840946934.db2.gz LZTTXXPWTGNIMH-UHFFFAOYSA-N -1 3 399.232 3.509 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](O)[C@H](C4CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000656453884 840972447 /nfs/dbraw/zinc/97/24/47/840972447.db2.gz QRUQRSOEJBEHKS-AZUAARDMSA-N -1 3 396.491 3.563 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])C1(c2ccccc2F)CC1 ZINC000610490645 840986846 /nfs/dbraw/zinc/98/68/46/840986846.db2.gz UGXFQNPPRCUDOX-UHFFFAOYSA-N -1 3 397.187 3.806 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430548756 841009364 /nfs/dbraw/zinc/00/93/64/841009364.db2.gz HLEWLXRCBMIFFT-MRVPVSSYSA-N -1 3 383.673 3.720 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2s1)c1cnccc1C(F)(F)F ZINC000549916191 844602720 /nfs/dbraw/zinc/60/27/20/844602720.db2.gz NWVHOMBCDOMAJQ-UHFFFAOYSA-N -1 3 386.420 3.836 20 0 GHADHM O=C([O-])CC[C@@H]1CCCC[C@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000417628211 841067572 /nfs/dbraw/zinc/06/75/72/841067572.db2.gz OZRMWCCOPUKANR-BLLLJJGKSA-N -1 3 380.851 3.573 20 0 GHADHM COc1ccc(Br)c(CN[C@H](CSCC=C(C)C)C(=O)[O-])c1 ZINC000417631708 841070082 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O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(OCc2cccc3ccccc32)C1 ZINC000364256818 841520290 /nfs/dbraw/zinc/52/02/90/841520290.db2.gz OEQLMTIMRBIRNA-UHFFFAOYSA-N -1 3 384.435 3.723 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(NC(C)=O)c1)C1CCCCC1 ZINC000656619674 841579400 /nfs/dbraw/zinc/57/94/00/841579400.db2.gz RLBAQBJRKLIDJF-QGZVFWFLSA-N -1 3 388.917 3.635 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1C(=O)OC(C)(C)C ZINC000600197921 861236642 /nfs/dbraw/zinc/23/66/42/861236642.db2.gz UOKZZGYMUNVULB-TZMCWYRMSA-N -1 3 384.314 3.954 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000525778460 841856760 /nfs/dbraw/zinc/85/67/60/841856760.db2.gz UTRXQFMDSYBUGI-UHFFFAOYSA-N -1 3 390.414 3.517 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H]2CCCC[C@H]12 ZINC000656762670 841899084 /nfs/dbraw/zinc/89/90/84/841899084.db2.gz BMAHFDCSNZPLKG-UMVBOHGHSA-N -1 3 396.281 3.643 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656767186 841899672 /nfs/dbraw/zinc/89/96/72/841899672.db2.gz DFTGQHKTZLHMSC-IRXDYDNUSA-N -1 3 382.298 3.856 20 0 GHADHM O=C([O-])c1cccc(Br)c1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000656768644 841905379 /nfs/dbraw/zinc/90/53/79/841905379.db2.gz LZEAAGDNLVATCL-KRWDZBQOSA-N -1 3 382.298 3.928 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1 ZINC000157855810 841918823 /nfs/dbraw/zinc/91/88/23/841918823.db2.gz RYDJOHWOLGRXQU-UHFFFAOYSA-N -1 3 389.395 3.617 20 0 GHADHM O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000473139968 842100680 /nfs/dbraw/zinc/10/06/80/842100680.db2.gz OPLDNAKKXDSLJF-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccc3F)on2)c1 ZINC000128497894 842144970 /nfs/dbraw/zinc/14/49/70/842144970.db2.gz OBWSQQZIQKSUKR-UHFFFAOYSA-N -1 3 394.811 3.790 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)c1 ZINC000127312126 842231814 /nfs/dbraw/zinc/23/18/14/842231814.db2.gz CVBFFQIXZBRFDI-UHFFFAOYSA-N -1 3 390.574 3.961 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000730809226 861297471 /nfs/dbraw/zinc/29/74/71/861297471.db2.gz MIZKZRNHNNOAPG-GBIKHYSHSA-N -1 3 394.306 3.700 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccccc3Cl)nc(=O)c2c1C ZINC000007487873 842343896 /nfs/dbraw/zinc/34/38/96/842343896.db2.gz QBSPHYNWAUDVQH-JTQLQIEISA-N -1 3 391.880 3.584 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cc1C ZINC000244278328 842462041 /nfs/dbraw/zinc/46/20/41/842462041.db2.gz WSOUFNQHAKMUPD-UHFFFAOYSA-N -1 3 388.489 3.628 20 0 GHADHM O=C([O-])C1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCCCC1 ZINC000663105577 842475013 /nfs/dbraw/zinc/47/50/13/842475013.db2.gz UHOKHNFSUZILGV-UHFFFAOYSA-N -1 3 390.549 3.642 20 0 GHADHM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000663107246 842484686 /nfs/dbraw/zinc/48/46/86/842484686.db2.gz HAZYQRKBMFWLGH-QHCPKHFHSA-N -1 3 384.520 3.535 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)c1 ZINC001211520500 842485934 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20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1cccc2cnccc21 ZINC000187120039 842906810 /nfs/dbraw/zinc/90/68/10/842906810.db2.gz RCMYKUPDDOVNQF-UHFFFAOYSA-N -1 3 399.541 3.584 20 0 GHADHM Cc1cncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000430743253 842917211 /nfs/dbraw/zinc/91/72/11/842917211.db2.gz KEZCDBGDMWUPHB-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CC(C)c1cccc(CN[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C(C)C)c1 ZINC000663262165 842937174 /nfs/dbraw/zinc/93/71/74/842937174.db2.gz IOYVTDQAVKYYJX-FGZHOGPDSA-N -1 3 396.531 3.736 20 0 GHADHM O=C([O-])CC[C@H](CNCc1cc(Br)cc2c1OCC2)C(F)(F)F ZINC000663261537 842939644 /nfs/dbraw/zinc/93/96/44/842939644.db2.gz KOIYUQUWMIWBNO-LLVKDONJSA-N -1 3 396.203 3.517 20 0 GHADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000163466995 842995811 /nfs/dbraw/zinc/99/58/11/842995811.db2.gz FRVWESWCABIIIW-UHFFFAOYSA-N -1 3 394.822 3.591 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1C(C)C ZINC000663298947 843040661 /nfs/dbraw/zinc/04/06/61/843040661.db2.gz CBNQXKVIVYRRAF-UHFFFAOYSA-N -1 3 391.537 3.856 20 0 GHADHM C[C@H]1CCCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000186452295 843081725 /nfs/dbraw/zinc/08/17/25/843081725.db2.gz UWWMDJOTEMXKJV-LAUBAEHRSA-N -1 3 380.488 3.902 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000186524035 843091055 /nfs/dbraw/zinc/09/10/55/843091055.db2.gz ZQOGRGLFWHSXND-OAHLLOKOSA-N -1 3 380.213 3.977 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000471893338 843296345 /nfs/dbraw/zinc/29/63/45/843296345.db2.gz QNASVUDPCCNUHN-XHDPSFHLSA-N -1 3 397.219 3.788 20 0 GHADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1F ZINC000432644088 843345481 /nfs/dbraw/zinc/34/54/81/843345481.db2.gz ROYKSQKCTAGSKC-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)s1 ZINC000509736518 843408160 /nfs/dbraw/zinc/40/81/60/843408160.db2.gz SFQNGNQXGNLPAS-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=C(Cc1cccc(F)c1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512338852 843448338 /nfs/dbraw/zinc/44/83/38/843448338.db2.gz XLIJSGXPZFMSAZ-UHFFFAOYSA-N -1 3 392.203 3.721 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000091924376 843468912 /nfs/dbraw/zinc/46/89/12/843468912.db2.gz ILXWGYPJQOLBHK-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000176125451 843509550 /nfs/dbraw/zinc/50/95/50/843509550.db2.gz ZPRCMBKMHZNRKH-UHFFFAOYSA-N -1 3 381.501 3.853 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000603956027 843589904 /nfs/dbraw/zinc/58/99/04/843589904.db2.gz VKRIAXGNQYUTSX-HNNXBMFYSA-N -1 3 387.910 3.864 20 0 GHADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)n1ccc2ccccc2c1=O ZINC000500527829 843601484 /nfs/dbraw/zinc/60/14/84/843601484.db2.gz RSLKEMWAPDTBRZ-LLVKDONJSA-N -1 3 376.334 3.926 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@H]2CCCC[C@H]2C)[nH][n-]1 ZINC000500566679 843651664 /nfs/dbraw/zinc/65/16/64/843651664.db2.gz FWDRRAIENFYGGC-WBMJQRKESA-N -1 3 377.872 3.694 20 0 GHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000432328346 843702059 /nfs/dbraw/zinc/70/20/59/843702059.db2.gz WQCXAITVVWVVOZ-UHFFFAOYSA-N -1 3 396.372 3.773 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000500592124 843707055 /nfs/dbraw/zinc/70/70/55/843707055.db2.gz NUODWGNTEWKLSH-SNVBAGLBSA-N -1 3 390.249 3.809 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccco1 ZINC000178985131 861449009 /nfs/dbraw/zinc/44/90/09/861449009.db2.gz XJWHAGKFGBIBMD-INIZCTEOSA-N -1 3 389.876 3.905 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1cc(Br)ccc1F ZINC000500599011 843713016 /nfs/dbraw/zinc/71/30/16/843713016.db2.gz IGQKCMSPWGQMQP-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2cc(F)ccc2C1 ZINC000092293499 843772212 /nfs/dbraw/zinc/77/22/12/843772212.db2.gz MGZKZHPJUSXTIM-UHFFFAOYSA-N -1 3 379.229 3.562 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1OCC ZINC000431177205 843778654 /nfs/dbraw/zinc/77/86/54/843778654.db2.gz GDDOSYKSYCIFHG-UHFFFAOYSA-N -1 3 375.368 3.702 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3c(C)cc(F)cc3C)CCCCCC2)no1 ZINC000429826519 843916138 /nfs/dbraw/zinc/91/61/38/843916138.db2.gz KJEOTGNTYWMOHB-UHFFFAOYSA-N -1 3 381.473 3.662 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599674802 861472269 /nfs/dbraw/zinc/47/22/69/861472269.db2.gz IUPIQUYKJUPGHL-GFCCVEGCSA-N -1 3 398.297 3.739 20 0 GHADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000433320352 844010036 /nfs/dbraw/zinc/01/00/36/844010036.db2.gz UFBHXLLTFNRKRD-UHFFFAOYSA-N -1 3 387.798 3.840 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1Cl ZINC000432954596 844722873 /nfs/dbraw/zinc/72/28/73/844722873.db2.gz NYPZLROBRMHBAR-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC[C@@]3(C)CC3(F)F)s2)cs1 ZINC000657160362 844749114 /nfs/dbraw/zinc/74/91/14/844749114.db2.gz PWEITZRHAGWNGQ-ZDUSSCGKSA-N -1 3 378.491 3.894 20 0 GHADHM COc1cc([C@H](C)NC(=O)NN=c2nc(C)cc(C)[n-]2)ccc1OCC(C)C ZINC000047046676 844770360 /nfs/dbraw/zinc/77/03/60/844770360.db2.gz MSTJWHMWFKPWQT-HNNXBMFYSA-N -1 3 387.484 3.524 20 0 GHADHM CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052750103 844786025 /nfs/dbraw/zinc/78/60/25/844786025.db2.gz DXRIZEPVBLCCSB-KDOFPFPSSA-N -1 3 384.501 3.596 20 0 GHADHM CCc1cc2c(CN(Cc3cc[nH]n3)Cc3ccccc3)cc(=O)oc2cc1[O-] ZINC000729265215 844818272 /nfs/dbraw/zinc/81/82/72/844818272.db2.gz CNOIVWMXCMMFOV-UHFFFAOYSA-N -1 3 389.455 3.987 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C12CCC2 ZINC000657187621 845042236 /nfs/dbraw/zinc/04/22/36/845042236.db2.gz OVLQEBRSYVIOEY-CHWSQXEVSA-N -1 3 392.443 3.505 20 0 GHADHM Cc1cc([O-])c(I)c(O[C@@H]2CC(F)(F)C2(F)F)c1 ZINC001225511301 845164789 /nfs/dbraw/zinc/16/47/89/845164789.db2.gz QXXKBVPZBUPUQX-MRVPVSSYSA-N -1 3 376.087 3.727 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)[N-]C(=O)c1cccs1 ZINC000731268421 861545516 /nfs/dbraw/zinc/54/55/16/861545516.db2.gz GTPNNMVGYJROPA-DLBZAZTESA-N -1 3 379.437 3.505 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)CNCc1cccc([O-])c1Cl ZINC000645143651 845272678 /nfs/dbraw/zinc/27/26/78/845272678.db2.gz ZIFXKVIKBDYHLL-UHFFFAOYSA-N -1 3 383.673 3.845 20 0 GHADHM O=S(=O)([N-][C@H]1Cc2cccc(O)c2C1)c1cc(Cl)ccc1C(F)(F)F ZINC000509791467 845411626 /nfs/dbraw/zinc/41/16/26/845411626.db2.gz ZOKIPBNEMPWGNT-NSHDSACASA-N -1 3 391.798 3.510 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccc4n[nH]cc4c3)cc2)cc(=O)[n-]1 ZINC000513454513 845464653 /nfs/dbraw/zinc/46/46/53/845464653.db2.gz FYFLZYORLICTSJ-LBPRGKRZSA-N -1 3 388.431 3.917 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccn(-c2ccccc2F)n1 ZINC000622891032 845795385 /nfs/dbraw/zinc/79/53/85/845795385.db2.gz BLPUVIVZNNKRDO-UHFFFAOYSA-N -1 3 381.798 3.729 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000472108179 845911630 /nfs/dbraw/zinc/91/16/30/845911630.db2.gz LZBCJNRNMDRXQT-HUUCEWRRSA-N -1 3 379.382 3.942 20 0 GHADHM O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000731457465 861654331 /nfs/dbraw/zinc/65/43/31/861654331.db2.gz OWSOQWWQSIGDNX-TWGQIWQCSA-N -1 3 384.863 3.936 20 0 GHADHM Cc1cc(CCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)ccc1Br ZINC000434086772 846247829 /nfs/dbraw/zinc/24/78/29/846247829.db2.gz HQQVFKQYJCPKBH-UHFFFAOYSA-N -1 3 385.265 3.536 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)cc1 ZINC000421738144 846534012 /nfs/dbraw/zinc/53/40/12/846534012.db2.gz PVMJUSLCFCZUSX-QGZVFWFLSA-N -1 3 380.416 3.780 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cccc(N(C)C)c3)cc2)cc(=O)[n-]1 ZINC000431374190 846631624 /nfs/dbraw/zinc/63/16/24/846631624.db2.gz FRUGLGDNUJHALI-UHFFFAOYSA-N -1 3 391.475 3.888 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000028940125 861710721 /nfs/dbraw/zinc/71/07/21/861710721.db2.gz CWDJOGRXABLLDL-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)cc1F ZINC000501472558 846944375 /nfs/dbraw/zinc/94/43/75/846944375.db2.gz AWCQYKVKPGWSLR-XYPYZODXSA-N -1 3 375.874 3.774 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC001211542509 846945439 /nfs/dbraw/zinc/94/54/39/846945439.db2.gz DRXYMALCEIXDDQ-GFCCVEGCSA-N -1 3 381.519 3.935 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCCC(C)(C)C1 ZINC001211542511 846945691 /nfs/dbraw/zinc/94/56/91/846945691.db2.gz DRXYMALCEIXDDQ-LBPRGKRZSA-N -1 3 381.519 3.935 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cccc(OC(F)F)c1 ZINC000731609506 861741028 /nfs/dbraw/zinc/74/10/28/861741028.db2.gz SUOZBXRKPHQGPX-LLVKDONJSA-N -1 3 385.313 3.950 20 0 GHADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000647921073 847025157 /nfs/dbraw/zinc/02/51/57/847025157.db2.gz MIGDCNNSJTWLHW-DOTOQJQBSA-N -1 3 395.550 3.596 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2c(C)cc(C)c(Br)c2C)[n-]1 ZINC000599827914 861753792 /nfs/dbraw/zinc/75/37/92/861753792.db2.gz IISPYZMXGNQMBE-UHFFFAOYSA-N -1 3 380.242 3.526 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2c(C)cc(C)c(Br)c2C)c[n-]1 ZINC000599827914 861753800 /nfs/dbraw/zinc/75/38/00/861753800.db2.gz IISPYZMXGNQMBE-UHFFFAOYSA-N -1 3 380.242 3.526 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccccc1OC(F)F ZINC000731604927 861756540 /nfs/dbraw/zinc/75/65/40/861756540.db2.gz QKNVRJQZIQKDFL-LLVKDONJSA-N -1 3 385.313 3.950 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2ccccc2OC[C@@H]2CCCCO2)[n-]1 ZINC000179762047 861758883 /nfs/dbraw/zinc/75/88/83/861758883.db2.gz QHBLAVMDNYSRDY-LBPRGKRZSA-N -1 3 383.370 3.761 20 0 GHADHM CC(C)(C)Cc1noc2nc(C3CC3)cc(-c3nc(-c4cc(=O)[n-]cn4)no3)c12 ZINC000582420389 847190405 /nfs/dbraw/zinc/19/04/05/847190405.db2.gz PJNOMMLCRGMCAB-UHFFFAOYSA-N -1 3 392.419 3.901 20 0 GHADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cnc2Cl)s1 ZINC000048742784 847243656 /nfs/dbraw/zinc/24/36/56/847243656.db2.gz GRJVJJJLLKZKJF-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(-n3cccn3)c2)[nH][n-]1 ZINC000582443324 847257680 /nfs/dbraw/zinc/25/76/80/847257680.db2.gz JKHPMLGTVOPQSU-UHFFFAOYSA-N -1 3 393.834 3.599 20 0 GHADHM CSCCCCCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000273144471 847260155 /nfs/dbraw/zinc/26/01/55/847260155.db2.gz ZGAYZXPRDZLCMH-UHFFFAOYSA-N -1 3 388.537 3.525 20 0 GHADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000158761131 847284971 /nfs/dbraw/zinc/28/49/71/847284971.db2.gz CDEOHUACLJGFBQ-QMMMGPOBSA-N -1 3 380.363 3.531 20 0 GHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)s1 ZINC000273591246 847379806 /nfs/dbraw/zinc/37/98/06/847379806.db2.gz JUJQQUCCUZKLOJ-LURJTMIESA-N -1 3 385.820 3.558 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000420698704 847380809 /nfs/dbraw/zinc/38/08/09/847380809.db2.gz QVRBDDMXOWMDQK-UHFFFAOYSA-N -1 3 396.868 4.000 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000502003717 847383282 /nfs/dbraw/zinc/38/32/82/847383282.db2.gz VVQNQJWZMVNYCN-UHFFFAOYSA-N -1 3 395.459 3.662 20 0 GHADHM [O-]c1coc2cc(OC[C@H](O)COc3ccc(Oc4ccccc4)cc3)ccc12 ZINC000582499656 847423763 /nfs/dbraw/zinc/42/37/63/847423763.db2.gz IERWYJLPJWYZOM-MRXNPFEDSA-N -1 3 392.407 3.873 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cc(Cl)ccc1OC(F)F ZINC000420761268 847431684 /nfs/dbraw/zinc/43/16/84/847431684.db2.gz YIUFSUCVSGWRHW-QMMMGPOBSA-N -1 3 375.771 3.655 20 0 GHADHM C[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000191950932 861797750 /nfs/dbraw/zinc/79/77/50/861797750.db2.gz TZQTWEHLDMAMON-JXFKEZNVSA-N -1 3 398.528 3.607 20 0 GHADHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000023763094 847565008 /nfs/dbraw/zinc/56/50/08/847565008.db2.gz SGPMWYIIOBKEKL-KGLIPLIRSA-N -1 3 384.505 3.905 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000502176313 847585512 /nfs/dbraw/zinc/58/55/12/847585512.db2.gz OGTKNGPADQCKKC-HNNXBMFYSA-N -1 3 385.894 3.618 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(Cl)cc1C)Cc1ccc([O-])c(F)c1 ZINC000421028961 847629842 /nfs/dbraw/zinc/62/98/42/847629842.db2.gz BRUAXYKALOEPLK-CYBMUJFWSA-N -1 3 394.830 3.647 20 0 GHADHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1c(F)cccc1Cl ZINC000785142375 847941237 /nfs/dbraw/zinc/94/12/37/847941237.db2.gz CTGSWQKBKXJRDL-HNNXBMFYSA-N -1 3 378.743 3.533 20 0 GHADHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1c(F)cccc1Cl ZINC000785142375 847941242 /nfs/dbraw/zinc/94/12/42/847941242.db2.gz CTGSWQKBKXJRDL-HNNXBMFYSA-N -1 3 378.743 3.533 20 0 GHADHM O=C(COC[C@@H]1CCOC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179932172 861855799 /nfs/dbraw/zinc/85/57/99/861855799.db2.gz JWGJUHGOJAQEFC-CYBMUJFWSA-N -1 3 384.457 3.661 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3ncccc3C(F)(F)F)s2)c1 ZINC000180091534 861946900 /nfs/dbraw/zinc/94/69/00/861946900.db2.gz HBWSWFFGUQHSCA-UHFFFAOYSA-N -1 3 394.378 3.804 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc([O-])ccc1Cl ZINC000555841938 861973879 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GHADHM CC(C)n1cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2n1 ZINC000436714622 852237326 /nfs/dbraw/zinc/23/73/26/852237326.db2.gz GKOFBGBOWNLCHK-IBGZPJMESA-N -1 3 392.459 3.566 20 0 GHADHM COc1cc(CN(C(=O)c2ccc(O)cc2[O-])C2CC2)ccc1OC(F)F ZINC000436717036 852239211 /nfs/dbraw/zinc/23/92/11/852239211.db2.gz VNAPEMDPZSEREL-UHFFFAOYSA-N -1 3 379.359 3.513 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 ZINC000732525618 862335973 /nfs/dbraw/zinc/33/59/73/862335973.db2.gz PLBVOALYHKDXKJ-UHFFFAOYSA-N -1 3 376.478 3.821 20 0 GHADHM Cn1c(=O)oc2ccc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])cc21 ZINC000436724023 852250013 /nfs/dbraw/zinc/25/00/13/852250013.db2.gz MUKXJMAYEHICDE-UHFFFAOYSA-N -1 3 388.423 3.875 20 0 GHADHM Cc1nc2sc3c(c2c(NCCNC(=O)c2ccc([O-])cc2)n1)CC[C@H](C)C3 ZINC000436746190 852266206 /nfs/dbraw/zinc/26/62/06/852266206.db2.gz GIEHCQNYGLXQKT-LBPRGKRZSA-N -1 3 396.516 3.672 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436734790 852275770 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GHADHM COc1ccccc1Nc1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000506944694 852351875 /nfs/dbraw/zinc/35/18/75/852351875.db2.gz DZJNWHBODYOFJB-IBGZPJMESA-N -1 3 378.432 3.688 20 0 GHADHM CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436811174 852370618 /nfs/dbraw/zinc/37/06/18/852370618.db2.gz ZWZLYYBLVJSVMQ-NJYVYQBISA-N -1 3 392.499 3.998 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000489495519 852402431 /nfs/dbraw/zinc/40/24/31/852402431.db2.gz JVONICLGEQKXEB-UHFFFAOYSA-N -1 3 380.460 3.978 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000436905688 852471513 /nfs/dbraw/zinc/47/15/13/852471513.db2.gz UCYNHCDJWSIDRS-UGSOOPFHSA-N -1 3 395.377 3.960 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000007410039 862360689 /nfs/dbraw/zinc/36/06/89/862360689.db2.gz BQWQCYDGQWWAKX-BQYQJAHWSA-N -1 3 377.775 3.671 20 0 GHADHM Cc1ccsc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436915584 852494991 /nfs/dbraw/zinc/49/49/91/852494991.db2.gz PCJZJUBKFBAYDV-LJQANCHMSA-N -1 3 394.496 3.940 20 0 GHADHM CCc1sc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)nc1-c1ccc(OC)cc1 ZINC000517843191 852498991 /nfs/dbraw/zinc/49/89/91/852498991.db2.gz LZULVQYMVPRTEC-UHFFFAOYSA-N -1 3 398.488 3.675 20 0 GHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000436920195 852500711 /nfs/dbraw/zinc/50/07/11/852500711.db2.gz FVDGIISQKBPXEU-FQEVSTJZSA-N -1 3 390.439 3.873 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000516389278 852502723 /nfs/dbraw/zinc/50/27/23/852502723.db2.gz XXBNXOFRDNDAQK-UHFFFAOYSA-N -1 3 382.460 3.541 20 0 GHADHM CN(C(=O)c1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1)c1ccccc1 ZINC000133021024 862366278 /nfs/dbraw/zinc/36/62/78/862366278.db2.gz ZPCAWQNQDHQWSX-UHFFFAOYSA-N -1 3 378.403 3.738 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c1[O-] ZINC000436954462 852545296 /nfs/dbraw/zinc/54/52/96/852545296.db2.gz HDIHFRDKYNWCAC-UHFFFAOYSA-N -1 3 389.473 3.678 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1 ZINC000436960980 852550841 /nfs/dbraw/zinc/55/08/41/852550841.db2.gz LGELHSSWPYLCMI-GJZGRUSLSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436973899 852557575 /nfs/dbraw/zinc/55/75/75/852557575.db2.gz VRWKIGAJEQJPLG-UHFFFAOYSA-N -1 3 399.491 3.567 20 0 GHADHM CCN(CCC1CC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436976066 852562098 /nfs/dbraw/zinc/56/20/98/852562098.db2.gz ANNRGFBKSOHQMN-NRFANRHFSA-N -1 3 380.488 3.902 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)c1 ZINC000436996780 852589553 /nfs/dbraw/zinc/58/95/53/852589553.db2.gz HAAGHGRINKBLQY-UHFFFAOYSA-N -1 3 376.416 3.844 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(F)(F)F)C(C)C ZINC000438635000 852654463 /nfs/dbraw/zinc/65/44/63/852654463.db2.gz ZQUCRLXYKXVHIE-HNNXBMFYSA-N -1 3 396.413 3.578 20 0 GHADHM CCc1nc(SCc2nc3ccc(Br)cc3[nH]2)[n-]c(=O)c1C ZINC000517964335 852666848 /nfs/dbraw/zinc/66/68/48/852666848.db2.gz BLBYZHOXCGLNGR-UHFFFAOYSA-N -1 3 379.283 3.984 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000507279535 852749812 /nfs/dbraw/zinc/74/98/12/852749812.db2.gz BRLOKDFZKLBXGF-VIFPVBQESA-N -1 3 378.288 3.559 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1Cl ZINC000518085193 852821693 /nfs/dbraw/zinc/82/16/93/852821693.db2.gz MIXJPCTUUFZBEW-UHFFFAOYSA-N -1 3 399.896 3.791 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1nc(Cc2ccccc2)no1 ZINC000427244095 852889496 /nfs/dbraw/zinc/88/94/96/852889496.db2.gz BELFEKJCVFYVSN-OAHLLOKOSA-N -1 3 399.516 3.997 20 0 GHADHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000427252014 852905857 /nfs/dbraw/zinc/90/58/57/852905857.db2.gz ZGTZMGAOLHQYPY-IBILFNBTSA-N -1 3 398.377 3.660 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CSc4ccccc4O3)nc2)n1 ZINC000645309912 852910305 /nfs/dbraw/zinc/91/03/05/852910305.db2.gz AQPRTTPRCBSYKI-MRXNPFEDSA-N -1 3 394.500 3.584 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2c(F)cc(Cl)c(C)c2F)CCCCC1 ZINC000427312463 852972436 /nfs/dbraw/zinc/97/24/36/852972436.db2.gz AERZVLNKJFLRGR-UHFFFAOYSA-N -1 3 395.855 3.792 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cs1 ZINC000473860288 853003563 /nfs/dbraw/zinc/00/35/63/853003563.db2.gz RMGVSEZIPAEFOB-SSDOTTSWSA-N -1 3 399.296 3.775 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(-n3cccn3)c2)sc1Cl ZINC000473859880 853023458 /nfs/dbraw/zinc/02/34/58/853023458.db2.gz DISYXIVRZQCPKC-GFCCVEGCSA-N -1 3 381.910 3.935 20 0 GHADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000516835510 853052020 /nfs/dbraw/zinc/05/20/20/853052020.db2.gz UFXVNOHRGHTUHR-UHFFFAOYSA-N -1 3 389.304 3.964 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc(C)c1F ZINC000437399919 853093176 /nfs/dbraw/zinc/09/31/76/853093176.db2.gz FPHZLWHPPGWQGY-MRXNPFEDSA-N -1 3 392.496 3.637 20 0 GHADHM COc1cc(C(=O)NCCCOc2ccc3ccccc3c2)cc(OC)c1[O-] ZINC000490581096 853129844 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O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(O)cc1[O-] ZINC000439059816 853227123 /nfs/dbraw/zinc/22/71/23/853227123.db2.gz OGVCGVHNTVWKFE-UHFFFAOYSA-N -1 3 395.286 3.799 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1 ZINC000518466155 853379173 /nfs/dbraw/zinc/37/91/73/853379173.db2.gz BGKYEKNOLJLHBE-INIZCTEOSA-N -1 3 393.505 3.998 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000519731109 853422061 /nfs/dbraw/zinc/42/20/61/853422061.db2.gz VKETWBKUIRJBFZ-GFCCVEGCSA-N -1 3 377.849 3.849 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1cc(F)c(F)c(F)c1 ZINC000437728581 853459478 /nfs/dbraw/zinc/45/94/78/853459478.db2.gz SEVSQAOROXQXOX-UHFFFAOYSA-N -1 3 378.375 3.644 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(c2ncnc3sc4ccccc4c32)CC1 ZINC000440659467 853515330 /nfs/dbraw/zinc/51/53/30/853515330.db2.gz AOTROJWZTXLQGO-UHFFFAOYSA-N -1 3 390.468 3.513 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000054839267 853576002 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O=C(NCc1ccc([O-])c(F)c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000163641938 862508528 /nfs/dbraw/zinc/50/85/28/862508528.db2.gz KTUCIAZHKLYSPD-UHFFFAOYSA-N -1 3 391.874 3.602 20 0 GHADHM O=C(N[C@H]1CC12CCCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000571474039 853888039 /nfs/dbraw/zinc/88/80/39/853888039.db2.gz BAFXMAXXUHGMDI-SFHVURJKSA-N -1 3 388.464 3.689 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NS(=O)(=O)C=Cc3ccc(C)cc3)c2)n1 ZINC000055621069 854045886 /nfs/dbraw/zinc/04/58/86/854045886.db2.gz KMNWYIMIRQUXDY-VAWYXSNFSA-N -1 3 395.484 3.720 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000055632991 854047428 /nfs/dbraw/zinc/04/74/28/854047428.db2.gz JLIOFLFYEBVALK-UHFFFAOYSA-N -1 3 379.821 3.646 20 0 GHADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000330041738 862528411 /nfs/dbraw/zinc/52/84/11/862528411.db2.gz DGTNFAPSARKVBF-UHFFFAOYSA-N -1 3 391.393 3.598 20 0 GHADHM COCCN(Cc1ccc(F)cc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163711224 862531347 /nfs/dbraw/zinc/53/13/47/862531347.db2.gz SHQHYXBFOAQUQG-UHFFFAOYSA-N -1 3 384.810 3.682 20 0 GHADHM COc1ccc([C@@H](NCc2nnc(-c3ccccc3[O-])o2)C(F)(F)F)cc1 ZINC001168381935 854145059 /nfs/dbraw/zinc/14/50/59/854145059.db2.gz KEOJECXZEUYUMK-MRXNPFEDSA-N -1 3 379.338 3.844 20 0 GHADHM C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(F)(F)F ZINC000481932316 862536928 /nfs/dbraw/zinc/53/69/28/862536928.db2.gz CSOBECJAZCJDFW-MRVPVSSYSA-N -1 3 380.292 3.652 20 0 GHADHM C[C@@H](CC1CC1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000112691088 854292100 /nfs/dbraw/zinc/29/21/00/854292100.db2.gz VVXIFUJBEQAMMV-ZDUSSCGKSA-N -1 3 376.453 3.545 20 0 GHADHM CCCCS(=O)(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccccc1 ZINC000193260037 862574000 /nfs/dbraw/zinc/57/40/00/862574000.db2.gz GRWMFRAUOAGOGS-UHFFFAOYSA-N -1 3 376.503 3.675 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(COc4ccccc4)CC3)nc2)n1 ZINC000068670131 854608726 /nfs/dbraw/zinc/60/87/26/854608726.db2.gz NYSAHOCZUJCEDO-UHFFFAOYSA-N -1 3 390.487 3.690 20 0 GHADHM O=C(NC[C@@H]1CCc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112638364 854763871 /nfs/dbraw/zinc/76/38/71/854763871.db2.gz JXHQTRBAXSJRNO-ZDUSSCGKSA-N -1 3 397.272 3.750 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCOCC1 ZINC000331004973 854793892 /nfs/dbraw/zinc/79/38/92/854793892.db2.gz SBBANQZGRMKLAQ-ZDUSSCGKSA-N -1 3 385.835 3.842 20 0 GHADHM O=C(NCc1ccccc1N1CCCC1)c1cc([O-])cc(Br)c1 ZINC000624508409 854860375 /nfs/dbraw/zinc/86/03/75/854860375.db2.gz HBEVUEGBDOFQGF-UHFFFAOYSA-N -1 3 375.266 3.685 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOc1c(C)cccc1C)CC2 ZINC000572609606 854865062 /nfs/dbraw/zinc/86/50/62/854865062.db2.gz WEDFPHMYBAYSCY-IBGZPJMESA-N -1 3 399.487 3.774 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(Cl)c1F ZINC000186346628 854920688 /nfs/dbraw/zinc/92/06/88/854920688.db2.gz AMGBQBJTKMCDIG-LBPRGKRZSA-N -1 3 376.815 3.893 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2cc(C)ccc2C)ccc1F ZINC000045518293 854960152 /nfs/dbraw/zinc/96/01/52/854960152.db2.gz XOLREZADSWPMEG-UHFFFAOYSA-N -1 3 390.480 3.574 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589687078 855107253 /nfs/dbraw/zinc/10/72/53/855107253.db2.gz XTUQNNONHSATJV-LLVKDONJSA-N -1 3 381.259 3.648 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)c2cc(N)ccc2O1 ZINC000567861561 862644034 /nfs/dbraw/zinc/64/40/34/862644034.db2.gz CPILXDZMSANQKS-CQSZACIVSA-N -1 3 384.860 3.642 20 0 GHADHM Cc1cc(Br)c2c(c1)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000189523694 855124997 /nfs/dbraw/zinc/12/49/97/855124997.db2.gz OCTYYADVJMHPTO-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(Cc3cccc(OC)c3)CCCCC2)[n-]1 ZINC000589849888 855162784 /nfs/dbraw/zinc/16/27/84/855162784.db2.gz KYOSTWRNPZLLIU-UHFFFAOYSA-N -1 3 385.464 3.727 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(Cc3cccc(OC)c3)CCCCC2)c[n-]1 ZINC000589849888 855162788 /nfs/dbraw/zinc/16/27/88/855162788.db2.gz KYOSTWRNPZLLIU-UHFFFAOYSA-N -1 3 385.464 3.727 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c(C)c1C ZINC000604971407 862648705 /nfs/dbraw/zinc/64/87/05/862648705.db2.gz HROXPUDBBBDQCC-UHFFFAOYSA-N -1 3 383.473 3.878 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000213824108 855213355 /nfs/dbraw/zinc/21/33/55/855213355.db2.gz BQWQCYDGQWWAKX-FPLPWBNLSA-N -1 3 377.775 3.671 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590081078 855260361 /nfs/dbraw/zinc/26/03/61/855260361.db2.gz GGRJPZUSIKLEEG-HOCLYGCPSA-N -1 3 397.541 3.937 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cc(F)cc3nc(C)c(C)nc32)c(F)cc1F ZINC000055116656 855276308 /nfs/dbraw/zinc/27/63/08/855276308.db2.gz UCEDPLSLNOHVOX-UHFFFAOYSA-N -1 3 389.333 3.703 20 0 GHADHM C[C@@H]1CCSCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000190136341 855284486 /nfs/dbraw/zinc/28/44/86/855284486.db2.gz DHNWWWSUIRQQCX-UZLBHIALSA-N -1 3 398.528 3.607 20 0 GHADHM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055619521 855360659 /nfs/dbraw/zinc/36/06/59/855360659.db2.gz FEPORMIRAZIZDX-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[N-]C(=O)c1ccccc1F ZINC000029002568 855452160 /nfs/dbraw/zinc/45/21/60/855452160.db2.gz BMRDTLRUZGNTEM-UHFFFAOYSA-N -1 3 397.353 3.837 20 0 GHADHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1OC ZINC000056109599 855473694 /nfs/dbraw/zinc/47/36/94/855473694.db2.gz AIWIRUPFDFOYMX-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1Cl ZINC000590530286 855484692 /nfs/dbraw/zinc/48/46/92/855484692.db2.gz HIBXBGPPVRYPLE-UHFFFAOYSA-N -1 3 398.271 3.989 20 0 GHADHM COC1CCC(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000542714049 855527805 /nfs/dbraw/zinc/52/78/05/855527805.db2.gz OHOCKWMUVFBGNT-UHFFFAOYSA-N -1 3 384.480 3.874 20 0 GHADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000180975547 862696830 /nfs/dbraw/zinc/69/68/30/862696830.db2.gz MKWKRPYNWFLWGH-UHFFFAOYSA-N -1 3 398.500 3.623 20 0 GHADHM CC(C)[C@H](CC(F)(F)F)NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482107140 862708999 /nfs/dbraw/zinc/70/89/99/862708999.db2.gz VPBNFFPKSFQKRM-NSHDSACASA-N -1 3 393.207 3.617 20 0 GHADHM NC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)no2)c(Cl)cc1Cl ZINC000520617593 855810365 /nfs/dbraw/zinc/81/03/65/855810365.db2.gz SWHLEHHHVDIIPP-UHFFFAOYSA-N -1 3 376.199 4.000 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000591238549 855839997 /nfs/dbraw/zinc/83/99/97/855839997.db2.gz LOQYXETUUCMPOZ-QGZVFWFLSA-N -1 3 393.484 3.605 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cs1 ZINC000280879733 862728947 /nfs/dbraw/zinc/72/89/47/862728947.db2.gz DZAUKYCRQRWJJK-QMMMGPOBSA-N -1 3 381.306 3.636 20 0 GHADHM O=C([N-]c1sc2c(c1C(=O)c1ccncc1)CCC2)c1ncc(F)cc1F ZINC000190718975 855953291 /nfs/dbraw/zinc/95/32/91/855953291.db2.gz OLNBITNLSMSGMW-UHFFFAOYSA-N -1 3 385.395 3.788 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000280910650 862742702 /nfs/dbraw/zinc/74/27/02/862742702.db2.gz DFTJQGPYHXVSHQ-LLVKDONJSA-N -1 3 391.821 3.501 20 0 GHADHM CSc1nc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)n[n-]1 ZINC000520686121 856018615 /nfs/dbraw/zinc/01/86/15/856018615.db2.gz PZOUVOOLDLTRKE-UHFFFAOYSA-N -1 3 388.880 3.940 20 0 GHADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000029338124 856039195 /nfs/dbraw/zinc/03/91/95/856039195.db2.gz JESGIGFKMSIOSK-UHFFFAOYSA-N -1 3 375.490 3.792 20 0 GHADHM CN(Cc1cccc2[nH]ccc21)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482156101 862750384 /nfs/dbraw/zinc/75/03/84/862750384.db2.gz CODPRXWYWIURCB-UHFFFAOYSA-N -1 3 398.264 3.664 20 0 GHADHM CC1=C[C@H](C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000573309667 856070406 /nfs/dbraw/zinc/07/04/06/856070406.db2.gz DSSASBUGOAJMGA-KKSFZXQISA-N -1 3 378.472 3.678 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1occc1CN1C(=O)Cc2ccccc21 ZINC000103191430 856079393 /nfs/dbraw/zinc/07/93/93/856079393.db2.gz MXTAZAZHKPGJHQ-UHFFFAOYSA-N -1 3 382.803 3.980 20 0 GHADHM Cc1ccn(-c2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc2)n1 ZINC000485117058 856113445 /nfs/dbraw/zinc/11/34/45/856113445.db2.gz ADCVCERHPJKOKO-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485127708 856127282 /nfs/dbraw/zinc/12/72/82/856127282.db2.gz BUHJKKVPNZJHLV-JTQLQIEISA-N -1 3 384.342 3.902 20 0 GHADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485127708 856127296 /nfs/dbraw/zinc/12/72/96/856127296.db2.gz BUHJKKVPNZJHLV-JTQLQIEISA-N -1 3 384.342 3.902 20 0 GHADHM COc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c([O-])c1 ZINC000031897658 856195152 /nfs/dbraw/zinc/19/51/52/856195152.db2.gz OVAAINIYUIDNLT-QGZVFWFLSA-N -1 3 392.858 3.760 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1Cl ZINC000032590183 856242568 /nfs/dbraw/zinc/24/25/68/856242568.db2.gz CXTASMUZRVKKBT-UHFFFAOYSA-N -1 3 397.884 3.679 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2SC(F)F)c(=O)[n-]1 ZINC000157458982 856270788 /nfs/dbraw/zinc/27/07/88/856270788.db2.gz UUJJAEWPMAZCIQ-UHFFFAOYSA-N -1 3 387.839 3.926 20 0 GHADHM COc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(C(F)(F)F)cc2)cc1 ZINC000485262302 856277303 /nfs/dbraw/zinc/27/73/03/856277303.db2.gz SSGBGSKJTGCZAF-KRWDZBQOSA-N -1 3 399.376 3.955 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(Cl)c1F ZINC000520740079 856285830 /nfs/dbraw/zinc/28/58/30/856285830.db2.gz VNPVEOIYHRNMEK-WMLDXEAASA-N -1 3 387.835 3.817 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(Cl)c1F ZINC000520740080 856285918 /nfs/dbraw/zinc/28/59/18/856285918.db2.gz VNPVEOIYHRNMEK-YOEHRIQHSA-N -1 3 387.835 3.817 20 0 GHADHM Cc1ccsc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509206567 862800404 /nfs/dbraw/zinc/80/04/04/862800404.db2.gz ZWAAJQZTEHEDPM-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM COc1ccc(Cn2cc(C(=O)Nc3cc(Cl)ccc3[O-])cn2)cc1OC ZINC000427656449 856486838 /nfs/dbraw/zinc/48/68/38/856486838.db2.gz WUDUPVDFTNDACN-UHFFFAOYSA-N -1 3 387.823 3.560 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000487403340 856521569 /nfs/dbraw/zinc/52/15/69/856521569.db2.gz SANCDZGGBODQLT-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2csc(C3CCCC3)n2)cc1 ZINC000058305693 856539302 /nfs/dbraw/zinc/53/93/02/856539302.db2.gz GCFQSVYBUOMOEH-UHFFFAOYSA-N -1 3 380.491 3.529 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@H]2C[C@H]21 ZINC000672127286 856541871 /nfs/dbraw/zinc/54/18/71/856541871.db2.gz UFWHWUJNZRTSIU-ISVAXAHUSA-N -1 3 381.657 3.569 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1F ZINC000110590609 856612820 /nfs/dbraw/zinc/61/28/20/856612820.db2.gz PALXWHVOQLFGPZ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=C(Nc1ccc(C2CCC2)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000785455527 856650737 /nfs/dbraw/zinc/65/07/37/856650737.db2.gz NQTJUSXGUZRLMX-UHFFFAOYSA-N -1 3 388.464 3.786 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000173291552 856832698 /nfs/dbraw/zinc/83/26/98/856832698.db2.gz AZHJGPXCXLEDDU-SNVBAGLBSA-N -1 3 383.311 3.552 20 0 GHADHM O=c1cc(-c2nc(Cc3cc(Br)cs3)no2)nc(C2CC2)[n-]1 ZINC000906112434 856837636 /nfs/dbraw/zinc/83/76/36/856837636.db2.gz MRFFCKMBOZLDMF-UHFFFAOYSA-N -1 3 379.239 3.524 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000482243168 862846983 /nfs/dbraw/zinc/84/69/83/862846983.db2.gz NRLDOVCHYNRAGF-UHFFFAOYSA-N -1 3 393.350 3.623 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000046211926 856848495 /nfs/dbraw/zinc/84/84/95/856848495.db2.gz SDWMNRHLRIUSOZ-HNNXBMFYSA-N -1 3 392.496 3.654 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482247836 862854441 /nfs/dbraw/zinc/85/44/41/862854441.db2.gz TXNIKKWBWLLAGG-UHFFFAOYSA-N -1 3 397.184 3.606 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C2CC2)s1 ZINC000173484225 856954841 /nfs/dbraw/zinc/95/48/41/856954841.db2.gz HGWPPGNITAWNOR-LLVKDONJSA-N -1 3 393.353 3.705 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508124465 856958083 /nfs/dbraw/zinc/95/80/83/856958083.db2.gz HJFVJPHJEQMONE-QGZVFWFLSA-N -1 3 396.390 3.952 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1 ZINC000427977684 856964614 /nfs/dbraw/zinc/96/46/14/856964614.db2.gz ZPMGKBDOSNMESQ-UHFFFAOYSA-N -1 3 383.835 3.615 20 0 GHADHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000058507639 856964638 /nfs/dbraw/zinc/96/46/38/856964638.db2.gz LMLDLZKJONOSAP-UHFFFAOYSA-N -1 3 383.297 3.739 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)C(=O)OC(C)(C)C)c2)n1 ZINC000592581797 856971763 /nfs/dbraw/zinc/97/17/63/856971763.db2.gz ATSIEHWDRRNRRN-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508135980 856978020 /nfs/dbraw/zinc/97/80/20/856978020.db2.gz YKJRWSDOPGWKPQ-QGZVFWFLSA-N -1 3 398.406 3.896 20 0 GHADHM CN(CCc1ccc(Br)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000592770911 857060001 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GHADHM C[C@@](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000520851269 857294501 /nfs/dbraw/zinc/29/45/01/857294501.db2.gz DOBAZDYKHHJPAF-QPPBQGQZSA-N -1 3 394.515 3.590 20 0 GHADHM [O-]c1ccc(-c2nc(-c3cccc(-c4nc(-c5cccnc5)no4)c3)no2)nc1 ZINC001212558004 857372721 /nfs/dbraw/zinc/37/27/21/857372721.db2.gz MQZGOHWVQUJZAF-UHFFFAOYSA-N -1 3 384.355 3.616 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1)C1CC1 ZINC000520968336 857448045 /nfs/dbraw/zinc/44/80/45/857448045.db2.gz OMELAJHQZZBBDE-UHFFFAOYSA-N -1 3 376.453 3.759 20 0 GHADHM COc1cccc(C[C@H](CNCc2c(Cl)cccc2OC(F)F)C(=O)[O-])c1 ZINC000669481994 857466629 /nfs/dbraw/zinc/46/66/29/857466629.db2.gz CDCZYPYPHGZCOS-CYBMUJFWSA-N -1 3 399.821 3.983 20 0 GHADHM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1cc(Cl)ccc1C(F)(F)F ZINC000521003174 857481096 /nfs/dbraw/zinc/48/10/96/857481096.db2.gz VVJNEWYKCDVPOM-UHFFFAOYSA-N -1 3 397.831 3.566 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000675550637 857508056 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O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000521135691 857648381 /nfs/dbraw/zinc/64/83/81/857648381.db2.gz MXVFXOVPNKFMAT-UHFFFAOYSA-N -1 3 387.896 3.709 20 0 GHADHM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000574332056 857707689 /nfs/dbraw/zinc/70/76/89/857707689.db2.gz OCMRGGYIKFVLFZ-HNNXBMFYSA-N -1 3 391.851 3.579 20 0 GHADHM Cc1ccccc1CC1CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000676026670 857713073 /nfs/dbraw/zinc/71/30/73/857713073.db2.gz BYQFLHXGHLGVLX-UHFFFAOYSA-N -1 3 389.293 3.847 20 0 GHADHM CC(C)C[C@]1(CO)CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907675021 857727303 /nfs/dbraw/zinc/72/73/03/857727303.db2.gz SZKBGDWMWQDSEG-SFHVURJKSA-N -1 3 383.514 3.503 20 0 GHADHM Cc1ccc([C@H](CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC000907806439 857773173 /nfs/dbraw/zinc/77/31/73/857773173.db2.gz KZRUSYZXXBPKRA-DPLHUUCSSA-N -1 3 392.499 3.507 20 0 GHADHM COC(=O)Cc1sc(NC(=O)c2cc(C)ccc2[O-])nc1-c1ccccc1 ZINC000065430557 857794171 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CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC=C(c3cccnc3)C2)s1 ZINC000908202175 857994177 /nfs/dbraw/zinc/99/41/77/857994177.db2.gz AINVZKJAXUOYRQ-UHFFFAOYSA-N -1 3 386.477 3.815 20 0 GHADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000067174663 858007001 /nfs/dbraw/zinc/00/70/01/858007001.db2.gz LRCAGJWHUFMCNI-UHFFFAOYSA-N -1 3 380.488 3.859 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C12CCCCC2 ZINC000442751590 858110412 /nfs/dbraw/zinc/11/04/12/858110412.db2.gz CIHQVTFYQIBMKH-HUUCEWRRSA-N -1 3 392.443 3.507 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1)C1CC1 ZINC000521623269 858166886 /nfs/dbraw/zinc/16/68/86/858166886.db2.gz OUAGAFBWPYBYTO-LJQANCHMSA-N -1 3 379.453 3.571 20 0 GHADHM COCC[C@H]1CCCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000574697651 858167651 /nfs/dbraw/zinc/16/76/51/858167651.db2.gz WGJMFFHTGNLQJZ-WBMJQRKESA-N -1 3 388.277 3.853 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1[O-] ZINC000594421698 858184504 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C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000482652944 858734724 /nfs/dbraw/zinc/73/47/24/858734724.db2.gz DRJIVKKLNHJMNB-JTQLQIEISA-N -1 3 399.235 3.863 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cccc(OCc3ccc(F)cc3)c2)n[n-]1 ZINC000895235154 858828105 /nfs/dbraw/zinc/82/81/05/858828105.db2.gz LQUYTHANWDWJOA-AWEZNQCLSA-N -1 3 398.438 3.550 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2cccc(OCc3ccc(F)cc3)c2)[n-]1 ZINC000895235154 858828118 /nfs/dbraw/zinc/82/81/18/858828118.db2.gz LQUYTHANWDWJOA-AWEZNQCLSA-N -1 3 398.438 3.550 20 0 GHADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)on1 ZINC000185630357 859106427 /nfs/dbraw/zinc/10/64/27/859106427.db2.gz VKHZCDAHRWCEPK-UHFFFAOYSA-N -1 3 395.484 3.824 20 0 GHADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000193243868 859149542 /nfs/dbraw/zinc/14/95/42/859149542.db2.gz SOXDCCJDZIYMEW-UHFFFAOYSA-N -1 3 399.407 3.502 20 0 GHADHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)Cc1cccc(Cl)c1 ZINC000483189619 859215283 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Cc1ccc(CNCc2cc(Br)c([O-])c(Br)c2)cn1 ZINC000223478340 859512470 /nfs/dbraw/zinc/51/24/70/859512470.db2.gz KHWNMQXSAUCCKC-UHFFFAOYSA-N -1 3 386.087 3.910 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)s1 ZINC000443718094 859512813 /nfs/dbraw/zinc/51/28/13/859512813.db2.gz LMLHTECFBCUVKN-ZETCQYMHSA-N -1 3 393.328 3.506 20 0 GHADHM COc1c(F)cc(F)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000483755676 859592352 /nfs/dbraw/zinc/59/23/52/859592352.db2.gz JWLFWMHZYMPTFZ-UHFFFAOYSA-N -1 3 387.180 3.763 20 0 GHADHM Cc1c2cccc(C)c2oc1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503537 859612479 /nfs/dbraw/zinc/61/24/79/859612479.db2.gz JIJSMSDOMDHGRT-GXTWGEPZSA-N -1 3 381.432 3.543 20 0 GHADHM Cc1ccc(CCCCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673505198 859612776 /nfs/dbraw/zinc/61/27/76/859612776.db2.gz ADHDLIWVGXUSMT-SJORKVTESA-N -1 3 383.492 3.588 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000673508487 859629460 /nfs/dbraw/zinc/62/94/60/859629460.db2.gz KFASCEOVXKEUHZ-KGLIPLIRSA-N -1 3 395.415 3.566 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484147732 859835053 /nfs/dbraw/zinc/83/50/53/859835053.db2.gz XFMBYPLAJPUPGB-UHFFFAOYSA-N -1 3 394.456 3.572 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)ccc1F ZINC001299298289 859840282 /nfs/dbraw/zinc/84/02/82/859840282.db2.gz NBJGXWAQACCSST-SFHVURJKSA-N -1 3 396.528 3.553 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)c1 ZINC000484174746 859847465 /nfs/dbraw/zinc/84/74/65/859847465.db2.gz RSCMRWPCXVFXSQ-UHFFFAOYSA-N -1 3 397.425 3.831 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000765228879 859855381 /nfs/dbraw/zinc/85/53/81/859855381.db2.gz OYEBWDDPHCSAKU-YGRLFVJLSA-N -1 3 392.279 3.923 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000474332389 859874555 /nfs/dbraw/zinc/87/45/55/859874555.db2.gz UVWZCEMXYTYPIS-UHFFFAOYSA-N -1 3 382.445 3.961 20 0 GHADHM COCc1c(C(=O)[N-]c2sccc2S(C)(=O)=O)sc2cccc(F)c21 ZINC000118635936 859885419 /nfs/dbraw/zinc/88/54/19/859885419.db2.gz ASNGWIZSRJDPSZ-UHFFFAOYSA-N -1 3 399.490 3.904 20 0 GHADHM Cc1sc(CCNC(=O)c2cc3c(cc2[O-])OCO3)nc1-c1ccccc1 ZINC000436488476 859936568 /nfs/dbraw/zinc/93/65/68/859936568.db2.gz VZRRXAJZLCQIHW-UHFFFAOYSA-N -1 3 382.441 3.525 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C[C@@H]1C ZINC000011175658 859962783 /nfs/dbraw/zinc/96/27/83/859962783.db2.gz VYWZGGWGPGHJHD-JTQLQIEISA-N -1 3 382.844 3.577 20 0 GHADHM CCOC[C@H](NCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000904014499 860023642 /nfs/dbraw/zinc/02/36/42/860023642.db2.gz STUJEUGBNGVKOP-INIZCTEOSA-N -1 3 385.794 3.990 20 0 GHADHM Cc1nn(C)c(CN[C@H](CCc2ccc(C(F)(F)F)cc2)C(=O)[O-])c1Cl ZINC000904024546 860033452 /nfs/dbraw/zinc/03/34/52/860033452.db2.gz SUXVKFGUSGHISQ-CYBMUJFWSA-N -1 3 389.805 3.576 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3ccc([O-])cc3)cc2)cc1 ZINC000060787302 860038694 /nfs/dbraw/zinc/03/86/94/860038694.db2.gz WOMBLEWRMCZVGG-UHFFFAOYSA-N -1 3 382.437 3.890 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)co1 ZINC000673560208 860072479 /nfs/dbraw/zinc/07/24/79/860072479.db2.gz OINOTVBELFUDKG-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CC(C)COC[C@H](NCc1cc(F)ccc1Oc1cncc(Cl)c1)C(=O)[O-] ZINC000904067117 860090730 /nfs/dbraw/zinc/09/07/30/860090730.db2.gz PLZGWOPAGHEVAJ-KRWDZBQOSA-N -1 3 396.846 3.882 20 0 GHADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC000765535358 860101389 /nfs/dbraw/zinc/10/13/89/860101389.db2.gz PIZVYKTXRCGTTO-UHFFFAOYSA-N -1 3 383.311 3.620 20 0 GHADHM CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc([O-])c4ccccc4c3)c2)C1=O ZINC000526040540 860143490 /nfs/dbraw/zinc/14/34/90/860143490.db2.gz MJAFTLZZWLFTDA-GOSISDBHSA-N -1 3 389.411 3.633 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)c(C)c1C ZINC000484603608 860174870 /nfs/dbraw/zinc/17/48/70/860174870.db2.gz UIYXSIOFBRJEPQ-UHFFFAOYSA-N -1 3 386.477 3.515 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1C ZINC000484621946 860195736 /nfs/dbraw/zinc/19/57/36/860195736.db2.gz PWZKITUILJTADL-UHFFFAOYSA-N -1 3 386.477 3.515 20 0 GHADHM CC[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1cccc(C)c1 ZINC000904209279 860211105 /nfs/dbraw/zinc/21/11/05/860211105.db2.gz HSOQLUUKZVOCEY-GOSISDBHSA-N -1 3 386.492 3.836 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000484647682 860220666 /nfs/dbraw/zinc/22/06/66/860220666.db2.gz VXJNOGKXRKLSSA-UHFFFAOYSA-N -1 3 393.770 3.735 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000057851516 860222669 /nfs/dbraw/zinc/22/26/69/860222669.db2.gz SCTBLEQJQREWON-UHFFFAOYSA-N -1 3 395.434 3.567 20 0 GHADHM C[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1cccc(Cl)c1 ZINC000904220689 860243486 /nfs/dbraw/zinc/24/34/86/860243486.db2.gz UYXONIURSDFSCR-AWEZNQCLSA-N -1 3 392.883 3.791 20 0 GHADHM O=C(N[C@H]1CCc2ccccc2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736006 860243663 /nfs/dbraw/zinc/24/36/63/860243663.db2.gz SFLGXVJVOLBIED-HNNXBMFYSA-N -1 3 397.272 3.578 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNC[C@H]3SCCc4ccccc43)o2)CC1 ZINC000904220670 860243753 /nfs/dbraw/zinc/24/37/53/860243753.db2.gz URWFXDAVLRZOFM-LJQANCHMSA-N -1 3 386.517 3.701 20 0 GHADHM CC[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccccc1F ZINC000904224983 860249032 /nfs/dbraw/zinc/24/90/32/860249032.db2.gz SCGRIHNROKYYMK-MRXNPFEDSA-N -1 3 390.455 3.667 20 0 GHADHM C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904249105 860264229 /nfs/dbraw/zinc/26/42/29/860264229.db2.gz KDQACYZOJCWNEO-JOCHJYFZSA-N -1 3 386.467 3.883 20 0 GHADHM CC(C)C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)CC(=O)OC(C)(C)C ZINC000598402856 860287412 /nfs/dbraw/zinc/28/74/12/860287412.db2.gz OEDWTRVBUZQFFB-HNNXBMFYSA-N -1 3 386.492 3.652 20 0 GHADHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000474583671 860391837 /nfs/dbraw/zinc/39/18/37/860391837.db2.gz HVOGSWQSIFCAOO-LLVKDONJSA-N -1 3 384.851 3.510 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000171212862 860423859 /nfs/dbraw/zinc/42/38/59/860423859.db2.gz JCBYEDVQWMHUAW-TZIWHRDSSA-N -1 3 392.499 3.793 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)c(C(=O)OCC)[n-]1 ZINC001127965472 860535205 /nfs/dbraw/zinc/53/52/05/860535205.db2.gz QWRLSMITWCYJBD-LSDHHAIUSA-N -1 3 385.464 3.680 20 0 GHADHM COc1ccc(CN(CC2CCC2)C(=O)c2cc3c(cc2[O-])OCO3)c(OC)c1 ZINC000436655550 860541967 /nfs/dbraw/zinc/54/19/67/860541967.db2.gz JDDGYOMHVWSECU-UHFFFAOYSA-N -1 3 399.443 3.581 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000098110343 860727263 /nfs/dbraw/zinc/72/72/63/860727263.db2.gz COZBRDDBJXTNMZ-UHFFFAOYSA-N -1 3 399.472 3.671 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000098116056 860728671 /nfs/dbraw/zinc/72/86/71/860728671.db2.gz IQBODDHJFPQFCD-LSDHHAIUSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000098116056 860728677 /nfs/dbraw/zinc/72/86/77/860728677.db2.gz IQBODDHJFPQFCD-LSDHHAIUSA-N -1 3 389.337 3.508 20 0 GHADHM CC(=O)N(CCC(=O)Nc1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000176435151 860874761 /nfs/dbraw/zinc/87/47/61/860874761.db2.gz QAGAEXXHCQAULD-UHFFFAOYSA-N -1 3 391.265 3.532 20 0 GHADHM Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(C)n1C(C)C ZINC000509081456 860878487 /nfs/dbraw/zinc/87/84/87/860878487.db2.gz HWPGWLLMQNFCRP-UHFFFAOYSA-N -1 3 375.270 3.770 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CS(=O)(=O)c2nc(C(C)C)c[n-]2)c1 ZINC000899503480 860938281 /nfs/dbraw/zinc/93/82/81/860938281.db2.gz QZNNNBPNXURBCN-UHFFFAOYSA-N -1 3 389.452 3.717 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Cc4cccc(C)c4O3)c2)n1 ZINC001125149964 860951059 /nfs/dbraw/zinc/95/10/59/860951059.db2.gz JWEWZXNFWJFMMH-GOSISDBHSA-N -1 3 375.428 3.662 20 0 GHADHM O=C(OCc1noc(-c2cccs2)n1)c1cccc(Br)c1[O-] ZINC000730365185 861073506 /nfs/dbraw/zinc/07/35/06/861073506.db2.gz LNLZOVJFBQKZBA-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc(Br)ccc1[O-] ZINC000599344090 861079510 /nfs/dbraw/zinc/07/95/10/861079510.db2.gz DOIYPQYTKRYZIM-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)ccc1C ZINC000605499065 863075946 /nfs/dbraw/zinc/07/59/46/863075946.db2.gz UGZIZQSSKMSQQZ-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC=CCC3)c2)cc1 ZINC000605565743 863151535 /nfs/dbraw/zinc/15/15/35/863151535.db2.gz BRPQCWZUVBAHCL-QGZVFWFLSA-N -1 3 384.501 3.943 20 0 GHADHM C[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCC(=O)NC1 ZINC000282562572 863231761 /nfs/dbraw/zinc/23/17/61/863231761.db2.gz BGTJOIOAIWHNHV-FQEVSTJZSA-N -1 3 381.457 3.524 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000733895303 863322821 /nfs/dbraw/zinc/32/28/21/863322821.db2.gz PZZKQBGSWHQOLH-QGZVFWFLSA-N -1 3 390.483 3.870 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1F ZINC000606344644 863527247 /nfs/dbraw/zinc/52/72/47/863527247.db2.gz KUOQXZQVMWJYAO-UHFFFAOYSA-N -1 3 395.452 3.501 20 0 GHADHM O=C([N-][C@H]1CCCN(c2ccccc2)C1=O)C(F)(F)c1cccc(Cl)c1 ZINC000733947245 863886421 /nfs/dbraw/zinc/88/64/21/863886421.db2.gz VXFKKZJNLGCDDZ-INIZCTEOSA-N -1 3 378.806 3.744 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)cc1F ZINC000480050203 863927306 /nfs/dbraw/zinc/92/73/06/863927306.db2.gz XLMJUDVLTJWQHJ-MRXNPFEDSA-N -1 3 391.386 3.676 20 0 GHADHM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000898541644 864130832 /nfs/dbraw/zinc/13/08/32/864130832.db2.gz NSSMNUFPNJGWFI-LIRRHRJNSA-N -1 3 387.407 3.548 20 0 GHADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)[N-]OCc1ccc(F)cc1 ZINC000184219507 864246121 /nfs/dbraw/zinc/24/61/21/864246121.db2.gz CGLJRKSKRFIZGF-UHFFFAOYSA-N -1 3 375.787 3.710 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000621589201 864296908 /nfs/dbraw/zinc/29/69/08/864296908.db2.gz QFXDNTOFRSXXPD-SNVBAGLBSA-N -1 3 399.365 3.928 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cc(Cl)cc(Br)c1 ZINC001211894586 864346154 /nfs/dbraw/zinc/34/61/54/864346154.db2.gz SYBRGEBAYKZIFR-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM COc1ccc([C@@H](NC(=O)N=c2cc3ccccn3[n-]2)c2ccc(F)cc2)cc1 ZINC000554534391 864491897 /nfs/dbraw/zinc/49/18/97/864491897.db2.gz LBUAPRQIJFDLQF-NRFANRHFSA-N -1 3 390.418 3.815 20 0 GHADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)c(Br)c(Cl)c2)on1 ZINC000379283692 864513478 /nfs/dbraw/zinc/51/34/78/864513478.db2.gz FOFAYRXVMKJUIY-UHFFFAOYSA-N -1 3 391.580 3.659 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC2CCOCC2)cc1)c1ccc2ncccc2c1 ZINC000607615235 864559387 /nfs/dbraw/zinc/55/93/87/864559387.db2.gz LLJCGEYUIZVJQU-UHFFFAOYSA-N -1 3 398.484 3.841 20 0 GHADHM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000735270375 864693242 /nfs/dbraw/zinc/69/32/42/864693242.db2.gz OSADTNMJCYMCSX-UHFFFAOYSA-N -1 3 390.505 3.932 20 0 GHADHM COCCCOc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000622046351 864729829 /nfs/dbraw/zinc/72/98/29/864729829.db2.gz SHRPCDSLVFXXDD-UHFFFAOYSA-N -1 3 383.366 3.756 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)sc1Br ZINC000123722359 864741973 /nfs/dbraw/zinc/74/19/73/864741973.db2.gz AOAQVBAHPSZNHI-SECBINFHSA-N -1 3 376.297 3.564 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1n1cccn1 ZINC000622094118 864770719 /nfs/dbraw/zinc/77/07/19/864770719.db2.gz CHRJISUBGNTIPE-BZUAXINKSA-N -1 3 397.397 3.535 20 0 GHADHM CCOC(=O)c1cccc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000480585387 864916231 /nfs/dbraw/zinc/91/62/31/864916231.db2.gz KDKZIPPPHFBLSX-UHFFFAOYSA-N -1 3 392.440 3.849 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1Cl)c1ccc(Br)cn1 ZINC000608022252 864926847 /nfs/dbraw/zinc/92/68/47/864926847.db2.gz DIPIPRLUDBJYCG-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nc2cccc(C)c2n1C ZINC000475401621 864941096 /nfs/dbraw/zinc/94/10/96/864941096.db2.gz OOBVQEZAQONXSE-UHFFFAOYSA-N -1 3 387.436 3.554 20 0 GHADHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1c([O-])cccc1F ZINC000622358981 864942955 /nfs/dbraw/zinc/94/29/55/864942955.db2.gz FRKZDVSOSQNCOI-UHFFFAOYSA-N -1 3 376.859 3.827 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622360275 864950426 /nfs/dbraw/zinc/95/04/26/864950426.db2.gz VSCBOCCLEZYFLP-CYBMUJFWSA-N -1 3 386.320 3.698 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)C2(F)CCOCC2)onc1-c1ccccc1 ZINC001142605715 864969670 /nfs/dbraw/zinc/96/96/70/864969670.db2.gz OATLFYNXBOKTJL-UHFFFAOYSA-N -1 3 390.411 3.754 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000622516597 865049655 /nfs/dbraw/zinc/04/96/55/865049655.db2.gz KCYYCZYNROEGCK-UHFFFAOYSA-N -1 3 383.250 3.729 20 0 GHADHM C[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2 ZINC000736113349 865139393 /nfs/dbraw/zinc/13/93/93/865139393.db2.gz ZAMOXYWMRFLUFO-CQSZACIVSA-N -1 3 393.516 3.715 20 0 GHADHM C[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCCC2 ZINC000736113349 865139405 /nfs/dbraw/zinc/13/94/05/865139405.db2.gz ZAMOXYWMRFLUFO-CQSZACIVSA-N -1 3 393.516 3.715 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@H](C)C1 ZINC000736241431 865159188 /nfs/dbraw/zinc/15/91/88/865159188.db2.gz NILGTAIKOSMCJY-HBUWYVDXSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@H](C)C1 ZINC000736241431 865159196 /nfs/dbraw/zinc/15/91/96/865159196.db2.gz NILGTAIKOSMCJY-HBUWYVDXSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)[C@H](C)C1 ZINC000736239780 865159658 /nfs/dbraw/zinc/15/96/58/865159658.db2.gz IRIKCGJMFVRYHB-CKEIUWERSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)[C@H](C)C1 ZINC000736239780 865159664 /nfs/dbraw/zinc/15/96/64/865159664.db2.gz IRIKCGJMFVRYHB-CKEIUWERSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)s1 ZINC000480732594 865162893 /nfs/dbraw/zinc/16/28/93/865162893.db2.gz SQPPQRSCNAVYDS-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3nc4ccccn4n3)cs2)cc1 ZINC000132977916 881845813 /nfs/dbraw/zinc/84/58/13/881845813.db2.gz JYXHHROPKFYJBX-UHFFFAOYSA-N -1 3 379.445 3.894 20 0 GHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000120985426 881848487 /nfs/dbraw/zinc/84/84/87/881848487.db2.gz PEKRHNUFQGAXIT-UHFFFAOYSA-N -1 3 394.880 3.806 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000736543094 865236345 /nfs/dbraw/zinc/23/63/45/865236345.db2.gz BAFICPYLFAVLDV-INIZCTEOSA-N -1 3 388.533 3.837 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000171418923 865246104 /nfs/dbraw/zinc/24/61/04/865246104.db2.gz NSOZCNGINAYITC-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000028963991 865326323 /nfs/dbraw/zinc/32/63/23/865326323.db2.gz UJRYSLWJTZGMIG-UHFFFAOYSA-N -1 3 396.863 3.615 20 0 GHADHM COc1cc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)ccc1C ZINC000737042861 865357702 /nfs/dbraw/zinc/35/77/02/865357702.db2.gz UAXXGIRLTZLDEI-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1cc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)ccc1C ZINC000737042861 865357720 /nfs/dbraw/zinc/35/77/20/865357720.db2.gz UAXXGIRLTZLDEI-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC[C@@H]1c1ccccc1 ZINC000608467262 865374061 /nfs/dbraw/zinc/37/40/61/865374061.db2.gz CSQCVGBVIKTHKE-LMNJBCLMSA-N -1 3 392.499 3.649 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2oc3ccccc3c2C)s1 ZINC000480846321 865387104 /nfs/dbraw/zinc/38/71/04/865387104.db2.gz SCPNRCWSWYXLSZ-LLVKDONJSA-N -1 3 379.459 3.629 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3c(C)nn4cccnc34)n2)cc1 ZINC000608482636 865402891 /nfs/dbraw/zinc/40/28/91/865402891.db2.gz ZGBNHWHRQBOMMF-UHFFFAOYSA-N -1 3 382.474 3.530 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000737588603 865411945 /nfs/dbraw/zinc/41/19/45/865411945.db2.gz JGUIODUHTABLOP-YOEHRIQHSA-N -1 3 384.517 3.553 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1COc2ccccc2O1)c1c(Cl)cccc1Cl ZINC000480878007 865449962 /nfs/dbraw/zinc/44/99/62/865449962.db2.gz WUDZZYYHFVMDLL-LLVKDONJSA-N -1 3 388.272 3.502 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738143452 865491956 /nfs/dbraw/zinc/49/19/56/865491956.db2.gz CUZDMKQQJKVGIX-AAEUAGOBSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738143452 865491961 /nfs/dbraw/zinc/49/19/61/865491961.db2.gz CUZDMKQQJKVGIX-AAEUAGOBSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCCC2)n1 ZINC000738376184 865532279 /nfs/dbraw/zinc/53/22/79/865532279.db2.gz HHHLUWUUAOYYPV-UHFFFAOYSA-N -1 3 392.333 3.901 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4cccc(OC)c4)CC3)nc2)n1 ZINC000555142023 865572578 /nfs/dbraw/zinc/57/25/78/865572578.db2.gz HTONTRMCWSQJMZ-UHFFFAOYSA-N -1 3 376.460 3.959 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3ccoc3Br)s2)c1 ZINC000193561320 881890180 /nfs/dbraw/zinc/89/01/80/881890180.db2.gz LYIJSYXGRNXZTP-UHFFFAOYSA-N -1 3 394.250 3.745 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)cc1Br ZINC000480993084 865651766 /nfs/dbraw/zinc/65/17/66/865651766.db2.gz QJULRPYDULALPT-UHFFFAOYSA-N -1 3 398.570 3.561 20 0 GHADHM COc1ccc(CCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1OC ZINC000622892144 865707342 /nfs/dbraw/zinc/70/73/42/865707342.db2.gz BFEVTBRRKOVCDV-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM CCn1cc(C=C(Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c(C)n1 ZINC000899341203 865788760 /nfs/dbraw/zinc/78/87/60/865788760.db2.gz WLVWCKGSULLYOV-WDZFZDKYSA-N -1 3 392.868 3.754 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4ccccc4F)C[C@@H]3C)nc2)n1 ZINC000302701236 865884165 /nfs/dbraw/zinc/88/41/65/865884165.db2.gz UWQLUMAGOHTGLR-HNNXBMFYSA-N -1 3 393.466 3.661 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000623172805 866067774 /nfs/dbraw/zinc/06/77/74/866067774.db2.gz UVCQJRAYJDRKQY-UHFFFAOYSA-N -1 3 394.515 3.724 20 0 GHADHM Cc1cc(=O)oc2cc(OCCOC(=O)c3cc(Cl)c(Cl)[n-]3)ccc12 ZINC000740953798 866121836 /nfs/dbraw/zinc/12/18/36/866121836.db2.gz YIMQOMOSNSSPOP-UHFFFAOYSA-N -1 3 382.199 3.972 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000023991543 866153836 /nfs/dbraw/zinc/15/38/36/866153836.db2.gz BGFSTIMBCPVMES-LOWVWBTDSA-N -1 3 377.510 3.509 20 0 GHADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1F ZINC000534164172 866214268 /nfs/dbraw/zinc/21/42/68/866214268.db2.gz PGYKVJOREALQFA-UHFFFAOYSA-N -1 3 379.787 3.886 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nnc(C(F)(F)F)s1 ZINC000183110594 866218289 /nfs/dbraw/zinc/21/82/89/866218289.db2.gz YJZCLXHVBDWBKK-UHFFFAOYSA-N -1 3 386.277 3.829 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3csc(C(F)(F)F)n3)c2)n1 ZINC000793159849 881954901 /nfs/dbraw/zinc/95/49/01/881954901.db2.gz QBDNEVVQWUWHKC-UHFFFAOYSA-N -1 3 381.335 3.852 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000534210577 866280086 /nfs/dbraw/zinc/28/00/86/866280086.db2.gz SJKVCUORUDDADS-KRWDZBQOSA-N -1 3 399.249 3.850 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)c1Cl ZINC000534242626 866357037 /nfs/dbraw/zinc/35/70/37/866357037.db2.gz SSCICOFHXKJFOC-VIFPVBQESA-N -1 3 377.297 3.583 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456326644 866442607 /nfs/dbraw/zinc/44/26/07/866442607.db2.gz ONGAVLCHDWCOAC-NJDAHSKKSA-N -1 3 379.500 3.801 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295320 881983359 /nfs/dbraw/zinc/98/33/59/881983359.db2.gz VCTJPTPGTMZFAR-YPMHNXCESA-N -1 3 386.805 3.931 20 0 GHADHM O=C(NCC1(c2ccc(Br)s2)CCC1)c1cccc2n[n-]nc21 ZINC000553068684 866738015 /nfs/dbraw/zinc/73/80/15/866738015.db2.gz WUMOEIYOJLLOGL-UHFFFAOYSA-N -1 3 391.294 3.634 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000620499986 866799951 /nfs/dbraw/zinc/79/99/51/866799951.db2.gz FYXOHCBIRCQBOK-UHFFFAOYSA-N -1 3 377.263 3.624 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc(C)c1F ZINC000742028619 867017230 /nfs/dbraw/zinc/01/72/30/867017230.db2.gz XFHRVZSTGMILNI-HZPDHXFCSA-N -1 3 392.496 3.857 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000153700100 867032735 /nfs/dbraw/zinc/03/27/35/867032735.db2.gz IQECEOSNZJOMKS-KRWDZBQOSA-N -1 3 394.374 3.979 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)[C@H](c1ccccc1)N(C)C ZINC000479110867 867150565 /nfs/dbraw/zinc/15/05/65/867150565.db2.gz ZEUYALKMACSSRT-YPVHTGTFSA-N -1 3 397.504 3.536 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)ccc2[nH]1 ZINC000533946037 867157161 /nfs/dbraw/zinc/15/71/61/867157161.db2.gz IEJARFQJUZPGLA-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc(-c4ccccn4)s3)cc2)n1 ZINC000170780905 882055406 /nfs/dbraw/zinc/05/54/06/882055406.db2.gz ZKXGHVOLOCDGBF-UHFFFAOYSA-N -1 3 389.440 3.516 20 0 GHADHM CCC[C@]1(C(=O)OCC)CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000444791500 867256344 /nfs/dbraw/zinc/25/63/44/867256344.db2.gz NFLZZUUBBXZIML-OAQYLSRUSA-N -1 3 383.448 3.779 20 0 GHADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553518319 867578297 /nfs/dbraw/zinc/57/82/97/867578297.db2.gz CBZXCGOUKHWIKB-SFHVURJKSA-N -1 3 380.835 3.627 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1F ZINC000479383253 867661810 /nfs/dbraw/zinc/66/18/10/867661810.db2.gz YLXFOPUVNBGIBX-UHFFFAOYSA-N -1 3 399.415 3.730 20 0 GHADHM CCc1ccc(C(=O)N[N-]C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000005273244 882108957 /nfs/dbraw/zinc/10/89/57/882108957.db2.gz BXEISTBDDLAHBR-UHFFFAOYSA-N -1 3 381.657 3.740 20 0 GHADHM Cc1cc(C)n(-c2ccc(CC(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)cc2)n1 ZINC000523650283 867688634 /nfs/dbraw/zinc/68/86/34/867688634.db2.gz JVPFBPAYQPZHFT-UHFFFAOYSA-N -1 3 385.471 3.791 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523650993 867692100 /nfs/dbraw/zinc/69/21/00/867692100.db2.gz RURALSNWRQVIKU-CYBMUJFWSA-N -1 3 399.288 3.960 20 0 GHADHM C[C@H]1CN(Cc2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2)C[C@H](C)O1 ZINC000920446324 882110969 /nfs/dbraw/zinc/11/09/69/882110969.db2.gz NMRIRRNCCBPSIL-GJZGRUSLSA-N -1 3 388.895 3.585 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N(CC(F)F)CC1CCC1 ZINC000534904758 867738459 /nfs/dbraw/zinc/73/84/59/867738459.db2.gz FAUDYWFFXXRDBH-UHFFFAOYSA-N -1 3 377.229 3.732 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)n[n-]2)o1 ZINC000479463492 867805840 /nfs/dbraw/zinc/80/58/40/867805840.db2.gz GEENZWWRFKUECV-STQMWFEESA-N -1 3 387.237 3.878 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(OCc4ccncc4)cc3)n[n-]2)o1 ZINC000479475719 867834559 /nfs/dbraw/zinc/83/45/59/867834559.db2.gz HLMGZSHSYQYCMB-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1N(C)C ZINC000743248902 868014212 /nfs/dbraw/zinc/01/42/12/868014212.db2.gz UTYGKGFCMUBGSP-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000155719154 868055300 /nfs/dbraw/zinc/05/53/00/868055300.db2.gz HISBYDRMFFYQDP-UHFFFAOYSA-N -1 3 398.448 3.775 20 0 GHADHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000155719154 868055312 /nfs/dbraw/zinc/05/53/12/868055312.db2.gz HISBYDRMFFYQDP-UHFFFAOYSA-N -1 3 398.448 3.775 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c([O-])c1 ZINC000457338081 868070612 /nfs/dbraw/zinc/07/06/12/868070612.db2.gz ZKCRBEFAPAMRCK-OAHLLOKOSA-N -1 3 377.238 3.536 20 0 GHADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ccc(CN2CCCCC2)cc1 ZINC000553785017 868223508 /nfs/dbraw/zinc/22/35/08/868223508.db2.gz SZKOQXKBWMWGCA-UHFFFAOYSA-N -1 3 384.530 3.927 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2cnc(C(F)(F)F)nc2)s1)c1ccccc1 ZINC000156046903 868233925 /nfs/dbraw/zinc/23/39/25/868233925.db2.gz RJPWYONBBXGQMZ-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000156179435 868277846 /nfs/dbraw/zinc/27/78/46/868277846.db2.gz TVKKIJWNUKAFAD-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3Br)no2)cc1 ZINC000445397016 868378985 /nfs/dbraw/zinc/37/89/85/868378985.db2.gz BTTAJUFVSJKQNN-UHFFFAOYSA-N -1 3 394.250 3.538 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)c3ccc([O-])cc3)n2)c(C)c1 ZINC000524067690 868475771 /nfs/dbraw/zinc/47/57/71/868475771.db2.gz DRRBVEBAURZHAU-UHFFFAOYSA-N -1 3 395.484 3.809 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(F)cc2N1 ZINC000156957654 868513373 /nfs/dbraw/zinc/51/33/73/868513373.db2.gz YMXTVYNSCBDZIY-UHFFFAOYSA-N -1 3 389.235 3.818 20 0 GHADHM COC(=O)Nc1cccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000744216557 868672479 /nfs/dbraw/zinc/67/24/79/868672479.db2.gz ADACLMKVTCZAMD-UHFFFAOYSA-N -1 3 379.372 3.555 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)Cc3cc4ccccc4[nH]c3=O)c2)n1 ZINC000744216349 868672678 /nfs/dbraw/zinc/67/26/78/868672678.db2.gz FWJOEGLBVGSFSH-UHFFFAOYSA-N -1 3 387.395 3.560 20 0 GHADHM Cc1c(Cl)cccc1N1CCCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000793478629 882216840 /nfs/dbraw/zinc/21/68/40/882216840.db2.gz NALGPJVPWWTXSN-UHFFFAOYSA-N -1 3 396.878 3.650 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432732 882220251 /nfs/dbraw/zinc/22/02/51/882220251.db2.gz GPFSTDNAQREPSY-JTQLQIEISA-N -1 3 375.778 3.950 20 0 GHADHM COc1cc(-c2nc(Cc3cn(C)c4cc(C)ccc34)no2)cc(OC)c1[O-] ZINC000445623266 868765408 /nfs/dbraw/zinc/76/54/08/868765408.db2.gz IKEKGBGRDRAWEG-UHFFFAOYSA-N -1 3 379.416 3.850 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H]2CCC[C@@H](OC)C2)[nH][n-]1 ZINC000479944904 868767011 /nfs/dbraw/zinc/76/70/11/868767011.db2.gz ZMVWWGISLRLJNN-GXTWGEPZSA-N -1 3 377.872 3.694 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3ccco3)c2)cc1 ZINC000121714914 882234714 /nfs/dbraw/zinc/23/47/14/882234714.db2.gz DPZNCMSTGDKDRC-OAHLLOKOSA-N -1 3 386.473 3.940 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCCF)c(Cl)cc1Cl ZINC000744459430 868859990 /nfs/dbraw/zinc/85/99/90/868859990.db2.gz AQLKTSNSPUCFJJ-SECBINFHSA-N -1 3 386.272 3.587 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000524303438 868875390 /nfs/dbraw/zinc/87/53/90/868875390.db2.gz KIVVPGMTYCOQKE-NSHDSACASA-N -1 3 381.259 3.648 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3cccc(Br)c3)n[n-]2)o1 ZINC000462253571 869095828 /nfs/dbraw/zinc/09/58/28/869095828.db2.gz IARCVBNWRDAMLF-SNVBAGLBSA-N -1 3 375.226 3.878 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cc1F ZINC000462300718 869195493 /nfs/dbraw/zinc/19/54/93/869195493.db2.gz JNPDXVYEUPVKFM-CYBMUJFWSA-N -1 3 386.851 3.566 20 0 GHADHM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000745094772 869281493 /nfs/dbraw/zinc/28/14/93/869281493.db2.gz SYMXBVSFSKKLPP-HXUWFJFHSA-N -1 3 399.462 3.732 20 0 GHADHM O=C([N-][C@H](CO)Cc1ccc(O)cc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857481318 882291375 /nfs/dbraw/zinc/29/13/75/882291375.db2.gz WSPRUHDMPPCEQW-LBPRGKRZSA-N -1 3 390.213 3.511 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000524655860 869381805 /nfs/dbraw/zinc/38/18/05/869381805.db2.gz MXSFZDZCMSDSNK-UHFFFAOYSA-N -1 3 389.238 3.682 20 0 GHADHM CCCOc1ccc(Br)cc1CS(=O)(=O)c1cccc([O-])c1 ZINC000462415251 869397982 /nfs/dbraw/zinc/39/79/82/869397982.db2.gz GLYDCFQOISHGNK-UHFFFAOYSA-N -1 3 385.279 3.917 20 0 GHADHM CCc1cnc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000524750279 869493266 /nfs/dbraw/zinc/49/32/66/869493266.db2.gz QMOZYZHLPKVRPM-UHFFFAOYSA-N -1 3 383.477 3.541 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000745650514 869719667 /nfs/dbraw/zinc/71/96/67/869719667.db2.gz GOLWJBZHRRAZQM-UHFFFAOYSA-N -1 3 399.321 3.825 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(Br)cc2F)cc1[O-] ZINC000745651330 869719770 /nfs/dbraw/zinc/71/97/70/869719770.db2.gz XMXWTWNWFTVNRI-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccsc2)cc1Cl ZINC000669844007 869797047 /nfs/dbraw/zinc/79/70/47/869797047.db2.gz PVLZBNPOBARBTI-MRVPVSSYSA-N -1 3 376.862 3.539 20 0 GHADHM O=C(OC[C@H]1CCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000745961044 869913595 /nfs/dbraw/zinc/91/35/95/869913595.db2.gz RORHLRNMKVKNLY-CQSZACIVSA-N -1 3 395.477 3.679 20 0 GHADHM CC(=O)N[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(C)C ZINC000539874848 869944913 /nfs/dbraw/zinc/94/49/13/869944913.db2.gz VIEMPSISDLCHGT-GOSISDBHSA-N -1 3 383.473 3.768 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000011808828 882375959 /nfs/dbraw/zinc/37/59/59/882375959.db2.gz GPYCHQCTMQFCFK-UHFFFAOYSA-N -1 3 395.286 3.960 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCC3(CCN(CC4CC4)C3=O)CC2)c([O-])c1 ZINC001192322653 870288927 /nfs/dbraw/zinc/28/89/27/870288927.db2.gz IJIGEVSPYGRLHE-UHFFFAOYSA-N -1 3 384.520 3.554 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(Cc3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC001192325992 870290222 /nfs/dbraw/zinc/29/02/22/870290222.db2.gz LHALUQGFRKQUOO-UHFFFAOYSA-N -1 3 392.503 3.524 20 0 GHADHM Cn1cc([C@H]2COC3(C2)CCN(C(=O)c2ccc(C(C)(C)C)cc2[O-])CC3)cn1 ZINC001192327559 870292084 /nfs/dbraw/zinc/29/20/84/870292084.db2.gz XGHBSPMMNZMJIK-MRXNPFEDSA-N -1 3 397.519 3.602 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC001192351894 870311453 /nfs/dbraw/zinc/31/14/53/870311453.db2.gz RMMCMCDSHGHHHH-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cc(OC)cc(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000191274502 882406648 /nfs/dbraw/zinc/40/66/48/882406648.db2.gz QDYHFWXBRRPXRN-UHFFFAOYSA-N -1 3 397.456 3.898 20 0 GHADHM CC(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000122054278 882414463 /nfs/dbraw/zinc/41/44/63/882414463.db2.gz SNHKFXYPGDGGNF-AWEZNQCLSA-N -1 3 378.469 3.791 20 0 GHADHM O=S(=O)([N-][C@@H](CCc1ccccc1)C(F)F)c1c[nH]c2cccc(F)c21 ZINC001192583240 870513274 /nfs/dbraw/zinc/51/32/74/870513274.db2.gz YWBUYQKJLHLNSN-HNNXBMFYSA-N -1 3 382.407 3.852 20 0 GHADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000525367917 870515620 /nfs/dbraw/zinc/51/56/20/870515620.db2.gz GRZMLTNYKHACNW-CQSZACIVSA-N -1 3 388.411 3.807 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc[nH]3)ccc2C)cc1 ZINC000198707972 870578721 /nfs/dbraw/zinc/57/87/21/870578721.db2.gz QCCKLXSFOXCLIE-UHFFFAOYSA-N -1 3 399.472 3.775 20 0 GHADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001192824050 870699107 /nfs/dbraw/zinc/69/91/07/870699107.db2.gz OYJYPKRNQXRURP-JKSUJKDBSA-N -1 3 398.507 3.679 20 0 GHADHM O=S(=O)([N-]Cc1cc(C(F)(F)F)ccc1Cl)c1cnccc1Cl ZINC001192911904 870766610 /nfs/dbraw/zinc/76/66/10/870766610.db2.gz XBKVUTRBAVUTBX-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2F)c1 ZINC001193427209 871103490 /nfs/dbraw/zinc/10/34/90/871103490.db2.gz GBWMEQPCYTTWIP-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CN(Cc1ccccc1)Cc1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000181498903 871108496 /nfs/dbraw/zinc/10/84/96/871108496.db2.gz CBDGSVFLVFWTNC-QFIPXVFZSA-N -1 3 389.499 3.700 20 0 GHADHM Cc1ccc2sc(C[N-]S(=O)(=O)c3ccccc3Br)nc2c1 ZINC001193642543 871208158 /nfs/dbraw/zinc/20/81/58/871208158.db2.gz YJUJNHAFWINNMN-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM Cc1cc(Br)cc2c1CN(C(=O)NCc1ccc([O-])c(F)c1)CC2 ZINC000540414664 871219782 /nfs/dbraw/zinc/21/97/82/871219782.db2.gz CRIRXBNINVHROZ-UHFFFAOYSA-N -1 3 393.256 3.870 20 0 GHADHM CN(CCc1cccs1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525719401 871288030 /nfs/dbraw/zinc/28/80/30/871288030.db2.gz WYKPOXSTRMBBGE-UHFFFAOYSA-N -1 3 391.290 3.667 20 0 GHADHM Cn1cc([C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C(F)(F)F)cn1 ZINC000447270563 871294954 /nfs/dbraw/zinc/29/49/54/871294954.db2.gz INPSVWRMFHATGX-GOSISDBHSA-N -1 3 389.377 3.750 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000447270915 871298222 /nfs/dbraw/zinc/29/82/22/871298222.db2.gz KNHGWDYWXYNRLV-UHFFFAOYSA-N -1 3 391.493 3.563 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OCc2ccccc2)cc1F ZINC001193819535 871326082 /nfs/dbraw/zinc/32/60/82/871326082.db2.gz QAORCBQURIUZNR-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OCc2ccccc2)cc1F ZINC001193819535 871326104 /nfs/dbraw/zinc/32/61/04/871326104.db2.gz QAORCBQURIUZNR-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2OC(F)F)o1 ZINC000539113767 871333064 /nfs/dbraw/zinc/33/30/64/871333064.db2.gz KYZQGVJLMSYJEZ-UHFFFAOYSA-N -1 3 386.203 3.975 20 0 GHADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000506596100 871364766 /nfs/dbraw/zinc/36/47/66/871364766.db2.gz SNYLLFGKYIEPQM-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM CN1Cc2c([N-]S(=O)(=O)c3ccccc3N)cccc2[C@H](c2ccccc2)C1 ZINC001193933043 871377283 /nfs/dbraw/zinc/37/72/83/871377283.db2.gz XQFKAGARZYHFNB-SFHVURJKSA-N -1 3 393.512 3.647 20 0 GHADHM O=C(CCc1cncc(F)c1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000540469620 871381604 /nfs/dbraw/zinc/38/16/04/871381604.db2.gz BIALTLXVXJCEPF-UHFFFAOYSA-N -1 3 379.222 3.911 20 0 GHADHM Nc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1F ZINC001193923688 871395609 /nfs/dbraw/zinc/39/56/09/871395609.db2.gz GHYKCIOTDAIYOA-UHFFFAOYSA-N -1 3 379.638 3.625 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CC[C@H]3CCCC3(F)F)cc21 ZINC001194110140 871482441 /nfs/dbraw/zinc/48/24/41/871482441.db2.gz QXKOEBWIEOZTBJ-LLVKDONJSA-N -1 3 377.840 3.573 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)Cc2noc3ccccc23)cc1F ZINC001194094533 871502516 /nfs/dbraw/zinc/50/25/16/871502516.db2.gz FUQLKIIOEMPCHI-UHFFFAOYSA-N -1 3 399.241 3.980 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(C)o1 ZINC000462066518 871516793 /nfs/dbraw/zinc/51/67/93/871516793.db2.gz SQBWUTDKMOYJGI-JTQLQIEISA-N -1 3 383.413 3.724 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000539223071 871536658 /nfs/dbraw/zinc/53/66/58/871536658.db2.gz TXPUOVHGJDLYMZ-GOEBONIOSA-N -1 3 390.263 3.941 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C2CC2)n1 ZINC000462108621 871619408 /nfs/dbraw/zinc/61/94/08/871619408.db2.gz GHKPUYICJMGYEQ-NSHDSACASA-N -1 3 382.454 3.961 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)sc1Br ZINC000150128767 871646540 /nfs/dbraw/zinc/64/65/40/871646540.db2.gz ISEXYASJKOTKMS-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194395508 871671610 /nfs/dbraw/zinc/67/16/10/871671610.db2.gz YXMSRMCCIXONQK-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)s1 ZINC000462131754 871695021 /nfs/dbraw/zinc/69/50/21/871695021.db2.gz NXEHKTNUGNBLKV-GFCCVEGCSA-N -1 3 386.336 3.827 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000794019387 882538849 /nfs/dbraw/zinc/53/88/49/882538849.db2.gz LCPQMSGXLTXWTE-UHFFFAOYSA-N -1 3 392.374 3.587 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000182018951 871736943 /nfs/dbraw/zinc/73/69/43/871736943.db2.gz HCTJSQBGKFCIEX-UHFFFAOYSA-N -1 3 389.216 3.905 20 0 GHADHM CCCc1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000540634461 871781227 /nfs/dbraw/zinc/78/12/27/871781227.db2.gz PKDHFZPXJCCWDL-UHFFFAOYSA-N -1 3 399.563 3.584 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1C)c1ccc2ccccc2c1 ZINC001194658589 871873120 /nfs/dbraw/zinc/87/31/20/871873120.db2.gz GQODTJRCRDQHIS-IBGZPJMESA-N -1 3 383.469 3.649 20 0 GHADHM Cc1ccc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)c([O-])c1 ZINC000618769649 871931826 /nfs/dbraw/zinc/93/18/26/871931826.db2.gz ABKLCRWOYZYFKW-INIZCTEOSA-N -1 3 376.250 3.677 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2csc(I)c2)c1[O-] ZINC000552070382 871976223 /nfs/dbraw/zinc/97/62/23/871976223.db2.gz NMULOOFSCWZXCT-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(CSc3nccn3C)c2)c1[O-] ZINC000552069184 871976334 /nfs/dbraw/zinc/97/63/34/871976334.db2.gz GVVYXSNGCHLEQG-UHFFFAOYSA-N -1 3 381.457 3.873 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)c1 ZINC000618982281 872209923 /nfs/dbraw/zinc/20/99/23/872209923.db2.gz XLVBPUZJXZJBHK-BLVKFPJESA-N -1 3 388.851 3.606 20 0 GHADHM COc1cncc(Cl)c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001195236656 872245211 /nfs/dbraw/zinc/24/52/11/872245211.db2.gz KPJNOPQAPXYSKX-UHFFFAOYSA-N -1 3 378.812 3.657 20 0 GHADHM Cc1ccc(-c2cc(=NC(=O)C3(C)CCN(Cc4ccccc4)CC3)[nH][n-]2)o1 ZINC000447802073 872284928 /nfs/dbraw/zinc/28/49/28/872284928.db2.gz HAXXEPYSFRXUKA-UHFFFAOYSA-N -1 3 378.476 3.641 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000463694693 872351578 /nfs/dbraw/zinc/35/15/78/872351578.db2.gz BOXJUJCVAWGXPZ-UKRRQHHQSA-N -1 3 382.888 3.593 20 0 GHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959876 872359021 /nfs/dbraw/zinc/35/90/21/872359021.db2.gz MKHMWEOZHUVEIT-QMTHXVAHSA-N -1 3 396.310 3.565 20 0 GHADHM CCCNC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000619162436 872374190 /nfs/dbraw/zinc/37/41/90/872374190.db2.gz UQWZVHBHRUQVQQ-UHFFFAOYSA-N -1 3 383.835 3.574 20 0 GHADHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])CC2 ZINC000526981124 872412484 /nfs/dbraw/zinc/41/24/84/872412484.db2.gz GGZBGYSGPMLILK-JTQLQIEISA-N -1 3 378.270 3.745 20 0 GHADHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(Br)cc1[O-])C2 ZINC000526981124 872412490 /nfs/dbraw/zinc/41/24/90/872412490.db2.gz GGZBGYSGPMLILK-JTQLQIEISA-N -1 3 378.270 3.745 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)c2c(F)cncc2Cl)c1-c1ccccc1 ZINC001195470923 872426613 /nfs/dbraw/zinc/42/66/13/872426613.db2.gz JFEBRKAUJCPTIX-UHFFFAOYSA-N -1 3 389.770 3.958 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)C(=O)OC(C)(C)C)c1 ZINC001195543824 872476571 /nfs/dbraw/zinc/47/65/71/872476571.db2.gz DMCTZLMZLZZCJB-QGZVFWFLSA-N -1 3 383.554 3.979 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(-c3ccncc3)s2)c1F ZINC000478087854 872496915 /nfs/dbraw/zinc/49/69/15/872496915.db2.gz PUEXCZBLYWNFGO-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3ccc(F)c(F)c3)cc2)cc(=O)[n-]1 ZINC000527043387 872527266 /nfs/dbraw/zinc/52/72/66/872527266.db2.gz FRJXGILYAIZKPZ-UHFFFAOYSA-N -1 3 384.386 3.800 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1OC(C)C ZINC000463796935 872579386 /nfs/dbraw/zinc/57/93/86/872579386.db2.gz FXRSDYFLPUAUDD-ZDUSSCGKSA-N -1 3 377.462 3.607 20 0 GHADHM Cc1nc2c(cccc2C(=O)Nc2cc(I)ccc2[O-])o1 ZINC000619383935 872611015 /nfs/dbraw/zinc/61/10/15/872611015.db2.gz YGZCVKDENNFTNC-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(I)ccc2[O-])C1 ZINC000619441267 872630894 /nfs/dbraw/zinc/63/08/94/872630894.db2.gz JVNQTPPHXROCHI-PWSUYJOCSA-N -1 3 389.233 3.531 20 0 GHADHM COc1ccc(N[C@H](C)c2cc(Cl)ccc2OC)cc1[N-]S(C)(=O)=O ZINC000182729790 872710715 /nfs/dbraw/zinc/71/07/15/872710715.db2.gz NFXXVYBNIOWCBI-LLVKDONJSA-N -1 3 384.885 3.902 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000527279305 872889976 /nfs/dbraw/zinc/88/99/76/872889976.db2.gz HCESBGLSAMGYFF-IEZWGBDMSA-N -1 3 398.890 3.713 20 0 GHADHM COC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCC(C)CC1 ZINC000527281078 872892911 /nfs/dbraw/zinc/89/29/11/872892911.db2.gz HHIYIJWMFJDNKE-UHFFFAOYSA-N -1 3 384.480 3.874 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1F)c1ccc(Br)cn1 ZINC001196190750 872911779 /nfs/dbraw/zinc/91/17/79/872911779.db2.gz BYUKITFWSXAFPU-OAHLLOKOSA-N -1 3 399.285 3.803 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2Nc2ccccc2OC)[n-]1 ZINC000619727793 872930427 /nfs/dbraw/zinc/93/04/27/872930427.db2.gz XQIYOIXLQWZFKY-UHFFFAOYSA-N -1 3 380.404 3.591 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2Nc2ccccc2OC)c[n-]1 ZINC000619727793 872930439 /nfs/dbraw/zinc/93/04/39/872930439.db2.gz XQIYOIXLQWZFKY-UHFFFAOYSA-N -1 3 380.404 3.591 20 0 GHADHM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)C(C)C)n1 ZINC001196220359 872962479 /nfs/dbraw/zinc/96/24/79/872962479.db2.gz WULJLEVLWCMXBQ-GOSISDBHSA-N -1 3 385.445 3.953 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC001196257794 872975114 /nfs/dbraw/zinc/97/51/14/872975114.db2.gz DXEXGBJOLOHBJV-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4ccc(F)c(F)c4)no3)n[n-]2)o1 ZINC000768007419 873015616 /nfs/dbraw/zinc/01/56/16/873015616.db2.gz KGWNAGKHBDWSQR-UHFFFAOYSA-N -1 3 386.314 3.663 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4ccc(F)c(F)c4)no3)[n-]n2)o1 ZINC000768007419 873015628 /nfs/dbraw/zinc/01/56/28/873015628.db2.gz KGWNAGKHBDWSQR-UHFFFAOYSA-N -1 3 386.314 3.663 20 0 GHADHM O=C([N-]c1noc2cccnc21)c1cnc(Br)c(C(F)(F)F)c1 ZINC001196283323 873016254 /nfs/dbraw/zinc/01/62/54/873016254.db2.gz RJONYCBEYOCIMO-UHFFFAOYSA-N -1 3 387.115 3.651 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)cnc1Cl ZINC001196521228 873159552 /nfs/dbraw/zinc/15/95/52/873159552.db2.gz OPUXLTJHLGZMJF-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499598 873186088 /nfs/dbraw/zinc/18/60/88/873186088.db2.gz MHGGSGXXEBGASH-KRWDZBQOSA-N -1 3 398.488 3.833 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(Br)c1 ZINC000061095161 882706596 /nfs/dbraw/zinc/70/65/96/882706596.db2.gz OEBARMNAELSLMX-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccncc2)c2ccccc2C)c1 ZINC001196718787 873319350 /nfs/dbraw/zinc/31/93/50/873319350.db2.gz JCAMQGONCQTSFZ-FQEVSTJZSA-N -1 3 386.448 3.606 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)c2ccccc2OCc2ccccc2)c(=O)[n-]1 ZINC000541309149 873334921 /nfs/dbraw/zinc/33/49/21/873334921.db2.gz XBMVXWGRKFVTJK-OAHLLOKOSA-N -1 3 392.459 3.630 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(OC3CCCC3)c2)c1 ZINC001196794059 873364550 /nfs/dbraw/zinc/36/45/50/873364550.db2.gz YBIQODVXFPFABN-UHFFFAOYSA-N -1 3 379.453 3.634 20 0 GHADHM COc1nc(C(F)(F)F)c(C(=O)[N-]c2nc(C(F)(F)F)cs2)s1 ZINC001196833100 873392062 /nfs/dbraw/zinc/39/20/62/873392062.db2.gz WEEJYLJUKANWBM-UHFFFAOYSA-N -1 3 377.291 3.898 20 0 GHADHM Cc1ccc(C(=O)c2ccsc2[N-]C(=O)c2nc3nc(C)cc(C)n3n2)cc1 ZINC000448452398 873405325 /nfs/dbraw/zinc/40/53/25/873405325.db2.gz NENRVUIMOMWVCA-UHFFFAOYSA-N -1 3 391.456 3.594 20 0 GHADHM COC(=O)CCCc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC001196888762 873429912 /nfs/dbraw/zinc/42/99/12/873429912.db2.gz XORDJQKBBXYMIO-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2F)c(C)c1 ZINC001196858788 873438756 /nfs/dbraw/zinc/43/87/56/873438756.db2.gz RJUVIHJNYXFPMA-UHFFFAOYSA-N -1 3 378.347 3.666 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1cccc(Br)c1 ZINC001197006014 873525090 /nfs/dbraw/zinc/52/50/90/873525090.db2.gz AQLAIQOYQVCSJE-UHFFFAOYSA-N -1 3 399.241 3.889 20 0 GHADHM Cc1nc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)oc1C ZINC000768813445 873567510 /nfs/dbraw/zinc/56/75/10/873567510.db2.gz ZWBHUVIIEWEGDT-UHFFFAOYSA-N -1 3 376.210 3.801 20 0 GHADHM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001197106000 873601706 /nfs/dbraw/zinc/60/17/06/873601706.db2.gz YFCJHLNPEVAIAK-IBGZPJMESA-N -1 3 383.517 3.678 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2nccnc2Sc2ccccc2)c([O-])c1 ZINC000541455661 873638932 /nfs/dbraw/zinc/63/89/32/873638932.db2.gz QHTLKAOMNDEDHQ-UHFFFAOYSA-N -1 3 395.440 3.762 20 0 GHADHM Clc1cccc(-c2csc(CN3CC[C@H](c4nn[n-]n4)C3)n2)c1Cl ZINC001197304435 873694193 /nfs/dbraw/zinc/69/41/93/873694193.db2.gz MLYKYGBEVYHBPI-VIFPVBQESA-N -1 3 381.292 3.620 20 0 GHADHM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000494665687 882777320 /nfs/dbraw/zinc/77/73/20/882777320.db2.gz MVPBTTRGHGGQJD-UHFFFAOYSA-N -1 3 397.378 3.614 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769317143 873962022 /nfs/dbraw/zinc/96/20/22/873962022.db2.gz AZXYAARZQMIBMH-PBHICJAKSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448805380 873970026 /nfs/dbraw/zinc/97/00/26/873970026.db2.gz NRAKIMAASGBJGD-AWEZNQCLSA-N -1 3 384.451 3.893 20 0 GHADHM O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134219975 882791814 /nfs/dbraw/zinc/79/18/14/882791814.db2.gz PKDQAEIHRQAOAC-UHFFFAOYSA-N -1 3 394.349 3.555 20 0 GHADHM CC(C)[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)N1CCc2ccccc2C1 ZINC000541681881 874119972 /nfs/dbraw/zinc/11/99/72/874119972.db2.gz HNSVTDZZLRWZLM-QGZVFWFLSA-N -1 3 392.421 3.622 20 0 GHADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448883964 874127019 /nfs/dbraw/zinc/12/70/19/874127019.db2.gz HGXTVEHRSFVHLS-UHFFFAOYSA-N -1 3 380.257 3.974 20 0 GHADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cn(CCc2ccccc2)nn1 ZINC000448906014 874178911 /nfs/dbraw/zinc/17/89/11/874178911.db2.gz DPCYPJBGMVIIGF-UHFFFAOYSA-N -1 3 396.520 3.747 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1N1CCCCC1)c1ccc2nccnc2c1 ZINC001198154325 874251405 /nfs/dbraw/zinc/25/14/05/874251405.db2.gz ZCPXEJAGNFLOGP-UHFFFAOYSA-N -1 3 386.452 3.560 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4)c3C(C)C)n[n-]2)o1 ZINC000541848369 874373827 /nfs/dbraw/zinc/37/38/27/874373827.db2.gz APBLTMSDVWHBJP-UHFFFAOYSA-N -1 3 376.420 3.935 20 0 GHADHM COc1cc2c(cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O)oc1ccccc12 ZINC000016470027 874432867 /nfs/dbraw/zinc/43/28/67/874432867.db2.gz QUHUIPFMCRZTQS-UHFFFAOYSA-N -1 3 391.427 3.866 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CCC1 ZINC001198722831 874581324 /nfs/dbraw/zinc/58/13/24/874581324.db2.gz LGQMDBGQOPFVHU-MRXNPFEDSA-N -1 3 384.860 3.702 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cc(F)cc(Cl)c1 ZINC001198730784 874586861 /nfs/dbraw/zinc/58/68/61/874586861.db2.gz PIDFNEYITHBTPP-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)cc1OC ZINC001198792634 874637941 /nfs/dbraw/zinc/63/79/41/874637941.db2.gz HOQKIMSNMDSAAO-KKUMJFAQSA-N -1 3 397.541 3.793 20 0 GHADHM Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)n1[C@H](C)c1ccccc1 ZINC000775913561 874653114 /nfs/dbraw/zinc/65/31/14/874653114.db2.gz HHGQSVNTXMBLGB-GFCCVEGCSA-N -1 3 391.397 3.781 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775916872 874685010 /nfs/dbraw/zinc/68/50/10/874685010.db2.gz IRBUZYCMJDGBHZ-RJRFIUFISA-N -1 3 398.694 3.825 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000775912780 874693438 /nfs/dbraw/zinc/69/34/38/874693438.db2.gz YEYRVRAMWIZWCB-UHFFFAOYSA-N -1 3 380.301 3.685 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCC(=O)c3ccccn3)nc(=O)c2c1C ZINC000770484655 874727919 /nfs/dbraw/zinc/72/79/19/874727919.db2.gz UALMLJHWKPADMT-LLVKDONJSA-N -1 3 385.445 3.676 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000770598947 874778857 /nfs/dbraw/zinc/77/88/57/874778857.db2.gz KKWTURFBRSBDFF-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775935635 874795819 /nfs/dbraw/zinc/79/58/19/874795819.db2.gz MPXUTUPXTIBLQC-UHFFFAOYSA-N -1 3 384.215 3.812 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)ccc1Br ZINC000115910257 882884231 /nfs/dbraw/zinc/88/42/31/882884231.db2.gz GJGHZFFXXXJTPV-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)n[n-]2)o1 ZINC000771299379 875169062 /nfs/dbraw/zinc/16/90/62/875169062.db2.gz PMKDAPROWFQQEM-HDJSIYSDSA-N -1 3 389.452 3.971 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)[n-]n2)o1 ZINC000771299379 875169076 /nfs/dbraw/zinc/16/90/76/875169076.db2.gz PMKDAPROWFQQEM-HDJSIYSDSA-N -1 3 389.452 3.971 20 0 GHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000542241605 875233960 /nfs/dbraw/zinc/23/39/60/875233960.db2.gz QHCFHEFJDPRVLZ-LLVKDONJSA-N -1 3 378.277 3.513 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542315070 875354520 /nfs/dbraw/zinc/35/45/20/875354520.db2.gz CIXWEEOHNMXFLC-UWVGGRQHSA-N -1 3 382.320 3.541 20 0 GHADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001201047566 875490780 /nfs/dbraw/zinc/49/07/80/875490780.db2.gz CAPKNNWVZQHFHB-HNNXBMFYSA-N -1 3 399.285 3.721 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Br)cc(Br)c1 ZINC000529166940 875745398 /nfs/dbraw/zinc/74/53/98/875745398.db2.gz OWOLXYKLRYCAGB-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)cc(Br)c1 ZINC000529166940 875745402 /nfs/dbraw/zinc/74/54/02/875745402.db2.gz OWOLXYKLRYCAGB-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(c1ccccc1)C1CCC1 ZINC000913673046 875790786 /nfs/dbraw/zinc/79/07/86/875790786.db2.gz PWMKKUYARBSGGE-UHFFFAOYSA-N -1 3 388.471 3.659 20 0 GHADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201770886 875852377 /nfs/dbraw/zinc/85/23/77/875852377.db2.gz SOUHBEWMCJXFAK-LBPRGKRZSA-N -1 3 386.286 3.888 20 0 GHADHM O=S(=O)([N-]CCc1coc2ccccc12)c1cccc(F)c1Br ZINC001201786625 875882927 /nfs/dbraw/zinc/88/29/27/875882927.db2.gz BPMSOTNDFMVSPZ-UHFFFAOYSA-N -1 3 398.253 3.855 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)c2)n1 ZINC001201849829 875902596 /nfs/dbraw/zinc/90/25/96/875902596.db2.gz RLIIUQWPGAEIPC-UHFFFAOYSA-N -1 3 389.419 3.706 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)c2)n1 ZINC001201849829 875902602 /nfs/dbraw/zinc/90/26/02/875902602.db2.gz RLIIUQWPGAEIPC-UHFFFAOYSA-N -1 3 389.419 3.706 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cs1 ZINC000172777846 875914838 /nfs/dbraw/zinc/91/48/38/875914838.db2.gz AXNWIASDPAQQPF-CYBMUJFWSA-N -1 3 399.520 3.585 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccn1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000921420198 882981013 /nfs/dbraw/zinc/98/10/13/882981013.db2.gz XMYPADWPGYYBJS-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000303762701 875985004 /nfs/dbraw/zinc/98/50/04/875985004.db2.gz FMKYOUBKBJEQTN-GOSISDBHSA-N -1 3 394.515 3.994 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2)no1 ZINC000172893568 875994583 /nfs/dbraw/zinc/99/45/83/875994583.db2.gz CEQYSXHPDKVNJG-UHFFFAOYSA-N -1 3 391.424 3.514 20 0 GHADHM CCc1cc2c(CNc3ccc(O[C@H]4CCOC4)cc3)cc(=O)oc2cc1[O-] ZINC000151863755 876035770 /nfs/dbraw/zinc/03/57/70/876035770.db2.gz ZGYODTRKGDFMCQ-SFHVURJKSA-N -1 3 381.428 3.841 20 0 GHADHM COc1ccc(C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)c([O-])c1 ZINC000529635088 876416766 /nfs/dbraw/zinc/41/67/66/876416766.db2.gz NAQOBIGYIOLPFX-UHFFFAOYSA-N -1 3 385.464 3.536 20 0 GHADHM COc1ccc(COC(=O)c2cc3occc3[n-]2)c(Br)c1OC ZINC000786030945 876418382 /nfs/dbraw/zinc/41/83/82/876418382.db2.gz JTMIENJTDDSHRS-UHFFFAOYSA-N -1 3 380.194 3.898 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000786138971 876468035 /nfs/dbraw/zinc/46/80/35/876468035.db2.gz FOIWDFXLRFDLCT-BLLLJJGKSA-N -1 3 397.452 3.792 20 0 GHADHM Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786140977 876470919 /nfs/dbraw/zinc/47/09/19/876470919.db2.gz UQZRHIMCGOCTNA-UHFFFAOYSA-N -1 3 390.482 3.936 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)Nc1ccc2c(c1)OCCCO2 ZINC000786142295 876472278 /nfs/dbraw/zinc/47/22/78/876472278.db2.gz XWJKYSIEHQQJSC-UHFFFAOYSA-N -1 3 399.424 3.564 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)c[n-]c12 ZINC000804561568 883047722 /nfs/dbraw/zinc/04/77/22/883047722.db2.gz LAMSPBQAOSPHQP-LBPRGKRZSA-N -1 3 376.387 3.696 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1ccc(Br)s1 ZINC000492414975 876766860 /nfs/dbraw/zinc/76/68/60/876766860.db2.gz DESLAISHHXWOQB-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1F ZINC001129612305 883062670 /nfs/dbraw/zinc/06/26/70/883062670.db2.gz FAUXOAAYRGXKFE-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1F ZINC001129612305 883062682 /nfs/dbraw/zinc/06/26/82/883062682.db2.gz FAUXOAAYRGXKFE-UHFFFAOYSA-N -1 3 377.782 3.715 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000492463389 876871324 /nfs/dbraw/zinc/87/13/24/876871324.db2.gz IWFRMDLMSVRVQC-UHFFFAOYSA-N -1 3 397.649 3.871 20 0 GHADHM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786851709 876983887 /nfs/dbraw/zinc/98/38/87/876983887.db2.gz PRNWEYYXKAHVCB-GOSISDBHSA-N -1 3 392.515 3.789 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786859640 876987136 /nfs/dbraw/zinc/98/71/36/876987136.db2.gz ZFEBDENRVALGIQ-INIZCTEOSA-N -1 3 394.487 3.712 20 0 GHADHM CCc1nc(CN[C@@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)co1 ZINC000858423458 883086042 /nfs/dbraw/zinc/08/60/42/883086042.db2.gz HPQRFCLYDDOICL-HNNXBMFYSA-N -1 3 385.489 3.889 20 0 GHADHM CCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c([O-])c1 ZINC000787108937 877152696 /nfs/dbraw/zinc/15/26/96/877152696.db2.gz KKOOKRCUVAUEPD-CQSZACIVSA-N -1 3 386.467 3.546 20 0 GHADHM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787142952 877193621 /nfs/dbraw/zinc/19/36/21/877193621.db2.gz ZSTJMLWSENWRCS-GDBMZVCRSA-N -1 3 394.487 3.616 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000551498064 877307679 /nfs/dbraw/zinc/30/76/79/877307679.db2.gz MJBCYLZKNMQHTP-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001183016847 912226462 /nfs/dbraw/zinc/22/64/62/912226462.db2.gz MOTOLMAFBPTRED-KRWDZBQOSA-N -1 3 394.431 3.699 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C)n1[C@H]1CCOC1 ZINC000530269523 877385830 /nfs/dbraw/zinc/38/58/30/877385830.db2.gz UTKWMRGQJGYJNQ-HNNXBMFYSA-N -1 3 391.431 3.850 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C)n1[C@H]1CCOC1 ZINC000530269523 877385843 /nfs/dbraw/zinc/38/58/43/877385843.db2.gz UTKWMRGQJGYJNQ-HNNXBMFYSA-N -1 3 391.431 3.850 20 0 GHADHM O=C(CCc1nc(C2CCCC2)no1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152257206 877490907 /nfs/dbraw/zinc/49/09/07/877490907.db2.gz FVTQVEYZIRCQRG-UHFFFAOYSA-N -1 3 383.370 3.927 20 0 GHADHM C[C@@]1(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1(F)F ZINC000851266086 877552878 /nfs/dbraw/zinc/55/28/78/877552878.db2.gz IMWMXXVOMLYHRM-KRWDZBQOSA-N -1 3 399.390 3.829 20 0 GHADHM Cc1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000787843528 877660783 /nfs/dbraw/zinc/66/07/83/877660783.db2.gz GKQDEJATNVBGSY-UHFFFAOYSA-N -1 3 379.815 3.998 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCN(c4ccccc4)[C@H]3C)cc2)n1 ZINC000530497673 877937477 /nfs/dbraw/zinc/93/74/77/877937477.db2.gz LQQUDTJQUAOZRN-OXJNMPFZSA-N -1 3 388.471 3.599 20 0 GHADHM COc1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1N1CCCC1=O ZINC000788272747 877987512 /nfs/dbraw/zinc/98/75/12/877987512.db2.gz YVDMYZYFKABETB-UHFFFAOYSA-N -1 3 382.441 3.995 20 0 GHADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000788480432 878094006 /nfs/dbraw/zinc/09/40/06/878094006.db2.gz RJAOAKZMGPSKQO-UHFFFAOYSA-N -1 3 398.868 3.660 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)c1 ZINC000451528783 878094067 /nfs/dbraw/zinc/09/40/67/878094067.db2.gz QNBMEYXZIFTNTC-UHFFFAOYSA-N -1 3 391.414 3.578 20 0 GHADHM COc1ccc(C(F)(F)C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000788601124 878199087 /nfs/dbraw/zinc/19/90/87/878199087.db2.gz 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CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2[nH]1 ZINC000531195222 879341588 /nfs/dbraw/zinc/34/15/88/879341588.db2.gz DZKKJEPOKYEQIQ-UHFFFAOYSA-N -1 3 389.477 3.724 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(CCC(C)C)s2)nnn1-c1ccc(F)c(F)c1 ZINC000617093275 879379002 /nfs/dbraw/zinc/37/90/02/879379002.db2.gz JSJVLFOCYSHGDG-UHFFFAOYSA-N -1 3 392.435 3.546 20 0 GHADHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(Cl)cc(Br)c1[O-] ZINC001183389474 912469529 /nfs/dbraw/zinc/46/95/29/912469529.db2.gz RJVPDVZGJJAUAJ-LBPRGKRZSA-N -1 3 387.705 3.555 20 0 GHADHM O=c1nc(CN2CCN(c3ccccc3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000007674286 879576169 /nfs/dbraw/zinc/57/61/69/879576169.db2.gz ORZGWYXLYOGMEV-UHFFFAOYSA-N -1 3 392.484 3.567 20 0 GHADHM CC[C@@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)N(CC)CC ZINC000461335824 879633867 /nfs/dbraw/zinc/63/38/67/879633867.db2.gz BVXANBWROKIAEU-IBGZPJMESA-N -1 3 389.521 3.546 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccoc3)c2)cc1 ZINC000617417526 879734799 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3.947 20 0 GHADHM COc1cccc(CCCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000120034020 881295504 /nfs/dbraw/zinc/29/55/04/881295504.db2.gz HEOBOISWKIBYDB-UHFFFAOYSA-N -1 3 393.281 3.595 20 0 GHADHM Cc1nc(C)c(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)o1 ZINC000551066453 883223115 /nfs/dbraw/zinc/22/31/15/883223115.db2.gz LTXDUXNKGPUFMJ-UHFFFAOYSA-N -1 3 387.197 3.556 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(COC4CCCC4)n3)n[n-]2)c1 ZINC000551073303 883238496 /nfs/dbraw/zinc/23/84/96/883238496.db2.gz YEXIANWPEQHWDA-UHFFFAOYSA-N -1 3 390.241 3.743 20 0 GHADHM COc1cc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1O ZINC000135388433 883328171 /nfs/dbraw/zinc/32/81/71/883328171.db2.gz GVFHZMCJZIMIQB-UHFFFAOYSA-N -1 3 377.440 3.969 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000195427071 883341261 /nfs/dbraw/zinc/34/12/61/883341261.db2.gz GJPXWSQRUPNKMC-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195445243 883352128 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O=c1nc(CSCc2nc(C3CC3)no2)[n-]c2scc(-c3ccco3)c21 ZINC000194097471 883674939 /nfs/dbraw/zinc/67/49/39/883674939.db2.gz IAZJZSOGYKMSPP-UHFFFAOYSA-N -1 3 386.458 3.938 20 0 GHADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909667484 883804119 /nfs/dbraw/zinc/80/41/19/883804119.db2.gz IIZZOSNXJYZXCH-ICSRJNTNSA-N -1 3 390.499 3.578 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(Br)c1 ZINC000475788493 883826069 /nfs/dbraw/zinc/82/60/69/883826069.db2.gz HRWSOAAVUNVBSR-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1cccc2nc(C3CCN(C(=O)c4c[n-]c5ccccc5c4=O)CC3)oc21 ZINC000188527554 883856957 /nfs/dbraw/zinc/85/69/57/883856957.db2.gz MXDKFLRBAYKJDG-UHFFFAOYSA-N -1 3 387.439 3.998 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000053395860 884053012 /nfs/dbraw/zinc/05/30/12/884053012.db2.gz RBIIEHAHWVHHTA-OXQOHEQNSA-N -1 3 396.487 3.661 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c([O-])c1 ZINC000190323603 884066721 /nfs/dbraw/zinc/06/67/21/884066721.db2.gz DNMKHCPDTVQBKT-HNNXBMFYSA-N -1 3 384.480 3.517 20 0 GHADHM COc1ccc([O-])c(-c2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)no2)c1 ZINC000761763235 884126514 /nfs/dbraw/zinc/12/65/14/884126514.db2.gz YPGVPUSPNQBBAV-UHFFFAOYSA-N -1 3 389.452 3.640 20 0 GHADHM O=c1[n-]c(SCCOc2cccc(Cl)c2)nc2c1cnn2-c1ccccc1 ZINC000025002544 884143412 /nfs/dbraw/zinc/14/34/12/884143412.db2.gz HMQGGIQQAOBPSR-UHFFFAOYSA-N -1 3 398.875 3.933 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3ncc(C(C)(C)C)o3)cc2)n1 ZINC000191369715 884174738 /nfs/dbraw/zinc/17/47/38/884174738.db2.gz NQEULXMGMKLXRH-UHFFFAOYSA-N -1 3 380.448 3.602 20 0 GHADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1c[n-]c2ccccc2c1=O ZINC001130523013 884385454 /nfs/dbraw/zinc/38/54/54/884385454.db2.gz KWSOZZSVRKBKJE-UHFFFAOYSA-N -1 3 380.354 3.904 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c1 ZINC000795775180 912825271 /nfs/dbraw/zinc/82/52/71/912825271.db2.gz KGRXUQUENBAAKB-HNNXBMFYSA-N -1 3 395.477 3.518 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(Cc4ccsc4)n3)n[n-]2)c1 ZINC000556331432 884494062 /nfs/dbraw/zinc/49/40/62/884494062.db2.gz UBHLRZUUMBLXDX-UHFFFAOYSA-N -1 3 388.250 3.937 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000070878366 884530434 /nfs/dbraw/zinc/53/04/34/884530434.db2.gz OZCHCBGIOQVOKV-UHFFFAOYSA-N -1 3 376.261 3.823 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3F)no2)ccc1F ZINC000556344626 884540782 /nfs/dbraw/zinc/54/07/82/884540782.db2.gz PGTRIDRDYRVAAR-UHFFFAOYSA-N -1 3 397.378 3.508 20 0 GHADHM Cc1nc([C@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cs1 ZINC000898032667 884562862 /nfs/dbraw/zinc/56/28/62/884562862.db2.gz WCKHCIRURJUANZ-MRXNPFEDSA-N -1 3 375.400 3.549 20 0 GHADHM COc1ccc(-c2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)sc2C)cc1 ZINC000898208091 884631873 /nfs/dbraw/zinc/63/18/73/884631873.db2.gz YCKADXRYARMASZ-AWEZNQCLSA-N -1 3 383.473 3.791 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263360280 884725732 /nfs/dbraw/zinc/72/57/32/884725732.db2.gz KDWTYOQCELCNGI-VJFUWPCTSA-N -1 3 395.931 3.666 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000263372529 884744958 /nfs/dbraw/zinc/74/49/58/884744958.db2.gz VUPVHDUOJZZATR-NEPJUHHUSA-N -1 3 379.254 3.647 20 0 GHADHM CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1[N-]C(=O)c1cocn1 ZINC000609215649 884779869 /nfs/dbraw/zinc/77/98/69/884779869.db2.gz HJGWSQZFLFUQRY-UHFFFAOYSA-N -1 3 386.385 3.561 20 0 GHADHM CCC[C@H](C)c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000761847570 884802174 /nfs/dbraw/zinc/80/21/74/884802174.db2.gz VMOJFMNMBYPWFO-NSHDSACASA-N -1 3 378.429 3.908 20 0 GHADHM CCCCOc1cccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000919046846 884803599 /nfs/dbraw/zinc/80/35/99/884803599.db2.gz PDYKMDTVAWRVED-UHFFFAOYSA-N -1 3 399.274 3.974 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)n1 ZINC000761852935 884882007 /nfs/dbraw/zinc/88/20/07/884882007.db2.gz OBVYYGHYJYLTHP-UHFFFAOYSA-N -1 3 390.468 3.541 20 0 GHADHM CCOc1c(Br)cc(Br)cc1CN(C)CCC(=O)[O-] ZINC000263445510 884884346 /nfs/dbraw/zinc/88/43/46/884884346.db2.gz XQNVTBAXZIAYHN-UHFFFAOYSA-N -1 3 395.091 3.517 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)n1 ZINC000761854137 884884365 /nfs/dbraw/zinc/88/43/65/884884365.db2.gz XGWZWRYNUXPBIM-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 ZINC000761862545 884893498 /nfs/dbraw/zinc/89/34/98/884893498.db2.gz XPATUMCBWQECHE-UHFFFAOYSA-N -1 3 396.497 3.758 20 0 GHADHM COC(=O)N(Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)C1CC1 ZINC000761954898 885036698 /nfs/dbraw/zinc/03/66/98/885036698.db2.gz HDWPCCBMRCJBDS-UHFFFAOYSA-N -1 3 395.415 3.752 20 0 GHADHM COc1cc([C@@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(C)C ZINC000914877039 885096739 /nfs/dbraw/zinc/09/67/39/885096739.db2.gz NDIOBKHGRFELMD-VUFYJBQKSA-N -1 3 394.471 3.692 20 0 GHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000914890869 885115471 /nfs/dbraw/zinc/11/54/71/885115471.db2.gz IUMKNBGJGWPTLM-QMMMGPOBSA-N -1 3 394.355 3.735 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(Cl)c1[O-] ZINC000193265566 885154863 /nfs/dbraw/zinc/15/48/63/885154863.db2.gz NYTQNODZBZDCKC-MRXNPFEDSA-N -1 3 392.883 3.994 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Br)c2C)c(C)c1 ZINC000829927296 885298776 /nfs/dbraw/zinc/29/87/76/885298776.db2.gz POXRAPCTJQJMGJ-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n[n-]2)o1 ZINC000919323740 885377893 /nfs/dbraw/zinc/37/78/93/885377893.db2.gz AENFWOSKJBLCND-LBPRGKRZSA-N -1 3 387.823 3.666 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)[n-]n2)o1 ZINC000919323740 885377910 /nfs/dbraw/zinc/37/79/10/885377910.db2.gz AENFWOSKJBLCND-LBPRGKRZSA-N -1 3 387.823 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(Br)cc2)CCC1 ZINC000104365774 885394196 /nfs/dbraw/zinc/39/41/96/885394196.db2.gz UEDXSGPAKOFMAM-UHFFFAOYSA-N -1 3 398.264 3.690 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(Br)cc2)CCC1 ZINC000104365774 885394213 /nfs/dbraw/zinc/39/42/13/885394213.db2.gz UEDXSGPAKOFMAM-UHFFFAOYSA-N -1 3 398.264 3.690 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)[n-]n1 ZINC000537579670 885549801 /nfs/dbraw/zinc/54/98/01/885549801.db2.gz RUNUKZIRUXEZFM-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)n[n-]1 ZINC000537579670 885549813 /nfs/dbraw/zinc/54/98/13/885549813.db2.gz RUNUKZIRUXEZFM-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000747420124 885688715 /nfs/dbraw/zinc/68/87/15/885688715.db2.gz FCTAAXPETNIZBC-UHFFFAOYSA-N -1 3 385.798 3.799 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)N(C)C)cc1 ZINC000807827497 885797296 /nfs/dbraw/zinc/79/72/96/885797296.db2.gz DLWVGFVFLAGTFF-GOSISDBHSA-N -1 3 399.516 3.936 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2c([O-])cccc2Cl)N(C)C)cc1 ZINC000807828970 885797520 /nfs/dbraw/zinc/79/75/20/885797520.db2.gz SURUPFDMYSXHGV-QGZVFWFLSA-N -1 3 376.884 3.866 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1F ZINC000915187023 885962393 /nfs/dbraw/zinc/96/23/93/885962393.db2.gz KDQGMGHAXKZVHF-UHFFFAOYSA-N -1 3 378.469 3.871 20 0 GHADHM Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2cccc([O-])c2F)cc1 ZINC000762316875 886003011 /nfs/dbraw/zinc/00/30/11/886003011.db2.gz HLOLOHDSBCMTFR-CYBMUJFWSA-N -1 3 392.228 3.766 20 0 GHADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000117227483 886043127 /nfs/dbraw/zinc/04/31/27/886043127.db2.gz CADANQZRNYJZTN-UHFFFAOYSA-N -1 3 390.505 3.595 20 0 GHADHM CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000117237663 886043834 /nfs/dbraw/zinc/04/38/34/886043834.db2.gz JYELZEWINTZGKL-VIFPVBQESA-N -1 3 385.283 3.890 20 0 GHADHM CC(C)c1ccc2cc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)[nH]c2c1 ZINC000915260227 886180850 /nfs/dbraw/zinc/18/08/50/886180850.db2.gz AMVSLDVMFHPTBE-UHFFFAOYSA-N -1 3 391.471 3.595 20 0 GHADHM COc1ccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)c(OC)c1 ZINC000544596188 886315247 /nfs/dbraw/zinc/31/52/47/886315247.db2.gz PTUHPPDUFCLQDL-UHFFFAOYSA-N -1 3 391.470 3.507 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000762633290 886572551 /nfs/dbraw/zinc/57/25/51/886572551.db2.gz UGAGHIMDWQHKNH-IAQYHMDHSA-N -1 3 391.386 3.635 20 0 GHADHM O=C([N-]N1CCc2ccccc2C1=O)c1cccnc1Sc1ccccc1 ZINC000762646444 886588872 /nfs/dbraw/zinc/58/88/72/886588872.db2.gz UTLUBFVNCUCZJZ-UHFFFAOYSA-N -1 3 375.453 3.576 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1cccc(-c3cccnc3)c1)C1CC1)c2[O-] ZINC000119382877 886637757 /nfs/dbraw/zinc/63/77/57/886637757.db2.gz HSPJIRRYTZTDRT-UHFFFAOYSA-N -1 3 399.454 3.541 20 0 GHADHM COc1cccc2c(C(=O)OCc3noc(-c4ccc(Cl)cc4)n3)n[n-]c21 ZINC000808673544 886667863 /nfs/dbraw/zinc/66/78/63/886667863.db2.gz DXUAYYDIJFXOMJ-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000808673544 886667886 /nfs/dbraw/zinc/66/78/86/886667886.db2.gz DXUAYYDIJFXOMJ-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3C)n[n-]c21 ZINC000808673929 886670122 /nfs/dbraw/zinc/67/01/22/886670122.db2.gz XOWQWEOJMYRYMA-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3C)[n-]nc21 ZINC000808673929 886670128 /nfs/dbraw/zinc/67/01/28/886670128.db2.gz XOWQWEOJMYRYMA-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1ccc(-c2nc(COC(=O)c3n[n-]c4c3cccc4OC)co2)cc1 ZINC000808672798 886671200 /nfs/dbraw/zinc/67/12/00/886671200.db2.gz GDHLIAWSYSQGHD-UHFFFAOYSA-N -1 3 379.372 3.592 20 0 GHADHM COc1ccc(-c2nc(COC(=O)c3[n-]nc4c3cccc4OC)co2)cc1 ZINC000808672798 886671210 /nfs/dbraw/zinc/67/12/10/886671210.db2.gz GDHLIAWSYSQGHD-UHFFFAOYSA-N -1 3 379.372 3.592 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccc(C)o3)nc(=O)c2c1C ZINC000057552010 886715394 /nfs/dbraw/zinc/71/53/94/886715394.db2.gz AIJOXFDBYLVBQI-LBPRGKRZSA-N -1 3 389.477 3.564 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2n[nH]c(COc3ccc(Cl)cc3)n2)n1 ZINC000132210956 886737837 /nfs/dbraw/zinc/73/78/37/886737837.db2.gz XCFQDACCYNUBMX-SNVBAGLBSA-N -1 3 377.857 3.694 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc4c(c3)[C@H](C)CC(=O)N4C)cc(=O)oc12 ZINC000863390964 887081745 /nfs/dbraw/zinc/08/17/45/887081745.db2.gz NRJDXTGDWDGVCK-GFCCVEGCSA-N -1 3 378.428 3.889 20 0 GHADHM O=C(CC1CCCC1)N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC000459306104 887229991 /nfs/dbraw/zinc/22/99/91/887229991.db2.gz IIJLOVROLUTHTF-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM CCN(CC)c1ccc2nc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)sc2c1 ZINC000809333006 887335743 /nfs/dbraw/zinc/33/57/43/887335743.db2.gz QOPLIAWDQJRDQU-UHFFFAOYSA-N -1 3 399.520 3.826 20 0 GHADHM COc1cccc([C@H](O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000863739519 887345056 /nfs/dbraw/zinc/34/50/56/887345056.db2.gz MDAQSMOVXMQAPI-LJQANCHMSA-N -1 3 375.852 3.640 20 0 GHADHM CCCCCC(=O)NC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459325016 887361012 /nfs/dbraw/zinc/36/10/12/887361012.db2.gz LRNSJMNMWCQMJR-UHFFFAOYSA-N -1 3 383.330 3.816 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000153717092 887393763 /nfs/dbraw/zinc/39/37/63/887393763.db2.gz XLBIFZDXSVFNHX-CYBMUJFWSA-N -1 3 384.382 3.736 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000026528308 887580016 /nfs/dbraw/zinc/58/00/16/887580016.db2.gz FNTBIQVHAUYQEB-UHFFFAOYSA-N -1 3 391.367 3.712 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)c[n-]c12 ZINC000132558435 887670867 /nfs/dbraw/zinc/67/08/67/887670867.db2.gz YJOOTEQTMZWBDZ-UHFFFAOYSA-N -1 3 379.391 3.503 20 0 GHADHM CCOc1cnc(C(=O)[N-]c2nnc(-c3c(Cl)cccc3Cl)s2)cn1 ZINC001131936071 888001189 /nfs/dbraw/zinc/00/11/89/888001189.db2.gz PGIJOOQUCCKTCQ-UHFFFAOYSA-N -1 3 396.259 3.953 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1OC(C)C ZINC000055247293 888121387 /nfs/dbraw/zinc/12/13/87/888121387.db2.gz UQYQVVHZJALBCC-ZDUSSCGKSA-N -1 3 386.448 3.637 20 0 GHADHM Cc1ccccc1-c1cnc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000810065995 888151586 /nfs/dbraw/zinc/15/15/86/888151586.db2.gz GHGFPGVLYABHIN-AWEZNQCLSA-N -1 3 381.398 3.541 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(N2CCCCC2=O)cc1 ZINC000810118272 888218790 /nfs/dbraw/zinc/21/87/90/888218790.db2.gz PZAZZRIUSGHCGZ-CYBMUJFWSA-N -1 3 394.443 3.521 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)c(C)c1 ZINC000055663346 888237702 /nfs/dbraw/zinc/23/77/02/888237702.db2.gz QLBPXHWVWCCJPB-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 ZINC000763215521 888322683 /nfs/dbraw/zinc/32/26/83/888322683.db2.gz KZZPUZRRBRVEEU-AWEZNQCLSA-N -1 3 395.431 3.521 20 0 GHADHM Cc1c(CS(C)(=O)=O)cccc1NCc1cccc([O-])c1Br ZINC000459375490 888385235 /nfs/dbraw/zinc/38/52/35/888385235.db2.gz WAJVFZDDKATOFN-UHFFFAOYSA-N -1 3 384.295 3.620 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-n2ccc(=O)[n-]2)cc1)CC(F)F ZINC000865643746 888496641 /nfs/dbraw/zinc/49/66/41/888496641.db2.gz CUDNYSSXIIHJAG-ZDUSSCGKSA-N -1 3 382.411 3.538 20 0 GHADHM O=C([N-][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)(F)Cc1ccccc1 ZINC001132255197 888504375 /nfs/dbraw/zinc/50/43/75/888504375.db2.gz SEQBZGMTRFFQMC-OAHLLOKOSA-N -1 3 396.796 3.579 20 0 GHADHM CCc1cc(Br)cc2sc([N-]C(=O)c3cccc[n+]3[O-])nc21 ZINC000796093082 913264201 /nfs/dbraw/zinc/26/42/01/913264201.db2.gz KPMWZPNXTXZQRL-UHFFFAOYSA-N -1 3 378.251 3.507 20 0 GHADHM CCOC(=O)c1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000810596662 888645766 /nfs/dbraw/zinc/64/57/66/888645766.db2.gz NGWWERAYLVGKJH-UHFFFAOYSA-N -1 3 378.384 3.554 20 0 GHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000794884408 888670279 /nfs/dbraw/zinc/67/02/79/888670279.db2.gz QIOUJYBQLALHSQ-BQYQJAHWSA-N -1 3 384.299 3.719 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)cc1 ZINC000747609837 888671978 /nfs/dbraw/zinc/67/19/78/888671978.db2.gz VFSRBODXIHIBEQ-LBPRGKRZSA-N -1 3 381.425 3.590 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000459382393 888698610 /nfs/dbraw/zinc/69/86/10/888698610.db2.gz DSAZTYDJUXXTCH-LLVKDONJSA-N -1 3 375.266 3.890 20 0 GHADHM CC(C)CNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000916111591 888737519 /nfs/dbraw/zinc/73/75/19/888737519.db2.gz NCAXWRUAGRHUAX-UHFFFAOYSA-N -1 3 381.498 3.569 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCCC1 ZINC000454324580 888823226 /nfs/dbraw/zinc/82/32/26/888823226.db2.gz NQJXNPDCNAMXLG-HNNXBMFYSA-N -1 3 383.514 3.547 20 0 GHADHM Cc1ccc(C[C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)c2ccc(C)cc2)cc1 ZINC000866627893 888978655 /nfs/dbraw/zinc/97/86/55/888978655.db2.gz HDOYQMHPTRJHIX-JOCHJYFZSA-N -1 3 389.499 3.945 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])ccc1Cl ZINC000810992063 889084499 /nfs/dbraw/zinc/08/44/99/889084499.db2.gz LZNOSLAVHSPPDC-OLZOCXBDSA-N -1 3 380.872 3.660 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](COc2ccccc2F)c2ccccc2)s1 ZINC000532854180 889088624 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ZINC000825576637 891155443 /nfs/dbraw/zinc/15/54/43/891155443.db2.gz MHHJCLZZPFQAIF-LIRRHRJNSA-N -1 3 379.464 3.526 20 0 GHADHM CCO[C@@H](CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825576637 891155446 /nfs/dbraw/zinc/15/54/46/891155446.db2.gz MHHJCLZZPFQAIF-LIRRHRJNSA-N -1 3 379.464 3.526 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c([O-])c1 ZINC000067177646 891221357 /nfs/dbraw/zinc/22/13/57/891221357.db2.gz YNCQKDYCPMXKAI-QGZVFWFLSA-N -1 3 382.243 3.921 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1Cl ZINC000128087731 891407244 /nfs/dbraw/zinc/40/72/44/891407244.db2.gz PXFPPDKNUOUUFG-PXAZEXFGSA-N -1 3 390.842 3.667 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813283601 891469862 /nfs/dbraw/zinc/46/98/62/891469862.db2.gz WTHCBEPCJJZANZ-HOTGVXAUSA-N -1 3 376.463 3.900 20 0 GHADHM CC[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)OCCc2ccccc21 ZINC001212063800 891485035 /nfs/dbraw/zinc/48/50/35/891485035.db2.gz HRFAZHKCOLBBQJ-SFHVURJKSA-N -1 3 383.872 3.636 20 0 GHADHM O=C(Nc1nccc(-c2ccc(F)c(F)c2)n1)c1c[n-]c2ccccc2c1=O ZINC001133782695 891657268 /nfs/dbraw/zinc/65/72/68/891657268.db2.gz UTJIBWIZMARRDT-UHFFFAOYSA-N -1 3 378.338 3.516 20 0 GHADHM COc1ccc(CCCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000161803327 891821327 /nfs/dbraw/zinc/82/13/27/891821327.db2.gz VTLJHNQRFHKBHA-UHFFFAOYSA-N -1 3 393.281 3.595 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1OC ZINC000917593854 892256397 /nfs/dbraw/zinc/25/63/97/892256397.db2.gz GFXOUHLAMCSUDB-UHFFFAOYSA-N -1 3 399.925 3.919 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)n[n-]2)o1 ZINC000497747280 892325876 /nfs/dbraw/zinc/32/58/76/892325876.db2.gz ZQBPYXGKNKWGJO-UHFFFAOYSA-N -1 3 387.237 3.806 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001185077585 913651812 /nfs/dbraw/zinc/65/18/12/913651812.db2.gz IOFZTRNSEYZJLO-JTQLQIEISA-N -1 3 399.394 3.619 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1[O-] 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ZINC001185186339 913711631 /nfs/dbraw/zinc/71/16/31/913711631.db2.gz MGJSLUUXDYTZBR-UHFFFAOYSA-N -1 3 394.250 3.608 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c(Cl)s1 ZINC001185187168 913712772 /nfs/dbraw/zinc/71/27/72/913712772.db2.gz WYZPTQDAHOXZKV-UHFFFAOYSA-N -1 3 398.849 3.644 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000876320054 893074673 /nfs/dbraw/zinc/07/46/73/893074673.db2.gz YWAJUOFUBJBJBD-OAQYLSRUSA-N -1 3 389.446 3.634 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(Br)oc3C)nc21 ZINC001134753364 893289379 /nfs/dbraw/zinc/28/93/79/893289379.db2.gz KPFSVPFQIFZUHJ-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC000815049930 893366328 /nfs/dbraw/zinc/36/63/28/893366328.db2.gz LURSOEWYKHDPNN-ZETCQYMHSA-N -1 3 399.847 3.812 20 0 GHADHM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1n[n-]c(SC)n1)OCC3 ZINC000533890782 893413038 /nfs/dbraw/zinc/41/30/38/893413038.db2.gz ILPNTPRSCBPPSG-HXUWFJFHSA-N -1 3 399.520 3.777 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)c(C)c1C ZINC000129475330 893475259 /nfs/dbraw/zinc/47/52/59/893475259.db2.gz ALCWFXOKXKPRFT-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000459447363 893538989 /nfs/dbraw/zinc/53/89/89/893538989.db2.gz QJSRZKKUSLHAIN-OAHLLOKOSA-N -1 3 390.281 3.778 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccn(-c2cccc(Br)c2)n1 ZINC000129557745 893623161 /nfs/dbraw/zinc/62/31/61/893623161.db2.gz SJXKHRDMDLRPEK-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)c3sccc3C)[n-]c2c(Br)c1 ZINC001134975684 893755555 /nfs/dbraw/zinc/75/55/55/893755555.db2.gz PAOVSKYVJKGGBN-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM COc1ccc(CSc2ncccc2C(=O)Nc2cncc([O-])c2)c(OC)c1 ZINC001185323944 913814915 /nfs/dbraw/zinc/81/49/15/913814915.db2.gz FDQWPLQXQDYUNN-UHFFFAOYSA-N -1 3 397.456 3.744 20 0 GHADHM COC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1cnsn1 ZINC000918556257 893921854 /nfs/dbraw/zinc/92/18/54/893921854.db2.gz KYODINXGUWRNCS-UHFFFAOYSA-N -1 3 379.850 3.959 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cn(-c2ccc(Br)cc2)cn1 ZINC000129779122 893963197 /nfs/dbraw/zinc/96/31/97/893963197.db2.gz MWLNHPHXUVDJQN-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(CCCO)[C@@H]2CCCc3ccccc32)o1 ZINC000878170295 894069202 /nfs/dbraw/zinc/06/92/02/894069202.db2.gz YCIAZTHWUSEQEX-LJQANCHMSA-N -1 3 379.460 3.704 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1F ZINC000536903506 894075696 /nfs/dbraw/zinc/07/56/96/894075696.db2.gz FRXQZUVDOCQSIE-ZBFHGGJFSA-N -1 3 391.798 3.566 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000878223781 894105909 /nfs/dbraw/zinc/10/59/09/894105909.db2.gz RPNNLKCUZPAGSL-HNNXBMFYSA-N -1 3 380.448 3.681 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001137133957 894400514 /nfs/dbraw/zinc/40/05/14/894400514.db2.gz BBMTZPOABCSRDU-UHFFFAOYSA-N -1 3 388.423 3.975 20 0 GHADHM CCc1nc(C(=O)[N-]c2cc(C(C)(C)F)on2)nn1-c1ccccc1Cl ZINC001135373649 894468667 /nfs/dbraw/zinc/46/86/67/894468667.db2.gz PWPFTKZQIJSMFM-UHFFFAOYSA-N -1 3 377.807 3.928 20 0 GHADHM O=C(Nc1cccc(Br)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001135498839 894708656 /nfs/dbraw/zinc/70/86/56/894708656.db2.gz ZJYCLSHMWLUMMK-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1Br ZINC000564368123 894905494 /nfs/dbraw/zinc/90/54/94/894905494.db2.gz HMXBMPCUQLGCGS-SECBINFHSA-N -1 3 388.661 3.959 20 0 GHADHM COc1ccc(CN(Cc2nnc(-c3ccccc3[O-])o2)[C@@H](C)CCCO)cc1 ZINC000879286311 894952870 /nfs/dbraw/zinc/95/28/70/894952870.db2.gz QCUAQVJKLIYVRW-INIZCTEOSA-N -1 3 397.475 3.614 20 0 GHADHM O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000816769114 895044122 /nfs/dbraw/zinc/04/41/22/895044122.db2.gz URVGGVXFHFMKLJ-MDZDMXLPSA-N -1 3 384.863 3.936 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(C)c1 ZINC001185524800 913938092 /nfs/dbraw/zinc/93/80/92/913938092.db2.gz LJBOVTCMJYKFOD-UHFFFAOYSA-N -1 3 382.913 3.576 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc2ccsc2[n-]1 ZINC000023346000 895084363 /nfs/dbraw/zinc/08/43/63/895084363.db2.gz HGVVGKKHZBTZHJ-UHFFFAOYSA-N -1 3 394.206 3.992 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC12CCC2 ZINC000816800425 895087299 /nfs/dbraw/zinc/08/72/99/895087299.db2.gz YMRHLXMFXZYYNP-QGZVFWFLSA-N -1 3 396.528 3.553 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c(Cl)n1 ZINC000760325978 895177708 /nfs/dbraw/zinc/17/77/08/895177708.db2.gz WKVDJQOIFJECRI-UHFFFAOYSA-N -1 3 397.667 3.860 20 0 GHADHM O=c1[n-]c(CN2CCSC[C@H]2c2nccs2)nc2c3ccccc3oc21 ZINC000564757821 895228322 /nfs/dbraw/zinc/22/83/22/895228322.db2.gz LTRVSNCIIQWSRN-LBPRGKRZSA-N -1 3 384.486 3.828 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)C[C@@H](C)C3)c2c1 ZINC000564800401 895254400 /nfs/dbraw/zinc/25/44/00/895254400.db2.gz HGUKVKDKSORRFP-CYBMUJFWSA-N -1 3 395.425 3.870 20 0 GHADHM O=C(NCCCn1ccc2ccccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001135889560 895542465 /nfs/dbraw/zinc/54/24/65/895542465.db2.gz NWOLJCUHRVBASH-UHFFFAOYSA-N -1 3 381.382 3.581 20 0 GHADHM CCN(CC)[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)c1cccc(C(F)(F)F)c1 ZINC000565656947 895789582 /nfs/dbraw/zinc/78/95/82/895789582.db2.gz PGQBLNNEEJZRAM-HNNXBMFYSA-N -1 3 393.369 3.682 20 0 GHADHM CCSc1nc(C)c([C@@H](CC)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC001136073271 895978562 /nfs/dbraw/zinc/97/85/62/895978562.db2.gz XZYWTXRRFYEUKK-CYBMUJFWSA-N -1 3 388.522 3.876 20 0 GHADHM CCSc1nc(C)c([C@@H](CC)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC001136073271 895978569 /nfs/dbraw/zinc/97/85/69/895978569.db2.gz XZYWTXRRFYEUKK-CYBMUJFWSA-N -1 3 388.522 3.876 20 0 GHADHM Nc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c([O-])c1 ZINC000817930740 895979731 /nfs/dbraw/zinc/97/97/31/895979731.db2.gz FLTAELISYOIRJB-CYBMUJFWSA-N -1 3 398.850 3.698 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000566083912 896097719 /nfs/dbraw/zinc/09/77/19/896097719.db2.gz QJRZSVRIWNVIEB-LJQANCHMSA-N -1 3 391.475 3.914 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000566083911 896098047 /nfs/dbraw/zinc/09/80/47/896098047.db2.gz QJRZSVRIWNVIEB-IBGZPJMESA-N -1 3 391.475 3.914 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001136144804 896169358 /nfs/dbraw/zinc/16/93/58/896169358.db2.gz HWLSFTICIGQCLH-NEPJUHHUSA-N -1 3 378.416 3.755 20 0 GHADHM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000818816931 896247916 /nfs/dbraw/zinc/24/79/16/896247916.db2.gz UJUMDTBDJXOLTH-UHFFFAOYSA-N -1 3 398.887 3.751 20 0 GHADHM O=C([O-])c1cnn(C2CCN(Cc3ccccc3Oc3cccnc3)CC2)c1 ZINC000566367445 896259772 /nfs/dbraw/zinc/25/97/72/896259772.db2.gz PKNWMDKUXONAAT-UHFFFAOYSA-N -1 3 378.432 3.606 20 0 GHADHM CN(C)c1ccc([C@@H](CN=c2ncnc3[nH][n-]cc2-3)c2c[nH]c3ccccc23)cc1 ZINC000818710393 896264541 /nfs/dbraw/zinc/26/45/41/896264541.db2.gz CZDDEUODGLZMIN-GOSISDBHSA-N -1 3 397.486 3.518 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826219276 896397735 /nfs/dbraw/zinc/39/77/35/896397735.db2.gz XHCBABPOBRJGHF-YCRPNKLZSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826219276 896397752 /nfs/dbraw/zinc/39/77/52/896397752.db2.gz XHCBABPOBRJGHF-YCRPNKLZSA-N -1 3 386.459 3.711 20 0 GHADHM Cc1ccc(C(=O)N2CCC(Cc3nc(-c4cc(C)ccn4)no3)CC2)c([O-])c1 ZINC000881653279 896433873 /nfs/dbraw/zinc/43/38/73/896433873.db2.gz HCBCBJMWXFWTOV-UHFFFAOYSA-N -1 3 392.459 3.549 20 0 GHADHM CCCCC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000025346341 896851481 /nfs/dbraw/zinc/85/14/81/896851481.db2.gz QSLVPAARRCVLRR-LBPRGKRZSA-N -1 3 395.352 3.747 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000826281583 896865509 /nfs/dbraw/zinc/86/55/09/896865509.db2.gz AGSGQLUGQNUKGA-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000826281583 896865522 /nfs/dbraw/zinc/86/55/22/896865522.db2.gz AGSGQLUGQNUKGA-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)nc12 ZINC000826289100 896943855 /nfs/dbraw/zinc/94/38/55/896943855.db2.gz KMGYJTSBGFCEPZ-UHFFFAOYSA-N -1 3 393.838 3.698 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)nc12 ZINC000826289100 896943866 /nfs/dbraw/zinc/94/38/66/896943866.db2.gz KMGYJTSBGFCEPZ-UHFFFAOYSA-N -1 3 393.838 3.698 20 0 GHADHM O=S(=O)([N-][C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(Cl)s1 ZINC000882829432 897028383 /nfs/dbraw/zinc/02/83/83/897028383.db2.gz JJHVQOQTWVGDIU-ZDUSSCGKSA-N -1 3 399.921 3.753 20 0 GHADHM Cc1ccc(OC2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826292354 897077229 /nfs/dbraw/zinc/07/72/29/897077229.db2.gz ROTPSKMNFWQNIL-UHFFFAOYSA-N -1 3 384.871 3.580 20 0 GHADHM Cc1ccc(OC2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826292354 897077243 /nfs/dbraw/zinc/07/72/43/897077243.db2.gz ROTPSKMNFWQNIL-UHFFFAOYSA-N -1 3 384.871 3.580 20 0 GHADHM CCc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c2c(CC(C)(C)C)noc2n1 ZINC000567409345 897132792 /nfs/dbraw/zinc/13/27/92/897132792.db2.gz BSQOJATUXHOSME-MRXNPFEDSA-N -1 3 397.479 3.623 20 0 GHADHM Cc1cccc(F)c1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826298414 897243804 /nfs/dbraw/zinc/24/38/04/897243804.db2.gz RJTNXOSUVUDZNW-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349806 897286661 /nfs/dbraw/zinc/28/66/61/897286661.db2.gz IQMKQXIOMANCQZ-UZLBHIALSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349806 897286669 /nfs/dbraw/zinc/28/66/69/897286669.db2.gz IQMKQXIOMANCQZ-UZLBHIALSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1cccc2oc(CCNc3ccc(Br)cc3-c3nnn[n-]3)nc21 ZINC000826305012 897313354 /nfs/dbraw/zinc/31/33/54/897313354.db2.gz HFKMKBIMRZCPFU-UHFFFAOYSA-N -1 3 399.252 3.733 20 0 GHADHM Cc1cccc2oc(CCNc3ccc(Br)cc3-c3nn[n-]n3)nc21 ZINC000826305012 897313363 /nfs/dbraw/zinc/31/33/63/897313363.db2.gz HFKMKBIMRZCPFU-UHFFFAOYSA-N -1 3 399.252 3.733 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc2c(c1)OCCO2 ZINC001136343998 897355814 /nfs/dbraw/zinc/35/58/14/897355814.db2.gz QJIQFZLFZVREMP-INIZCTEOSA-N -1 3 398.846 3.834 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001136359603 897433081 /nfs/dbraw/zinc/43/30/81/897433081.db2.gz OWVQRDGWIFBPMK-UHFFFAOYSA-N -1 3 386.810 3.576 20 0 GHADHM CCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000820847691 897582305 /nfs/dbraw/zinc/58/23/05/897582305.db2.gz JBDRZOMCUYQNHJ-UHFFFAOYSA-N -1 3 396.451 3.978 20 0 GHADHM CCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000820847691 897582319 /nfs/dbraw/zinc/58/23/19/897582319.db2.gz JBDRZOMCUYQNHJ-UHFFFAOYSA-N -1 3 396.451 3.978 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826323798 897599363 /nfs/dbraw/zinc/59/93/63/897599363.db2.gz RTEJSKFCFMNVEH-CYBMUJFWSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826323798 897599376 /nfs/dbraw/zinc/59/93/76/897599376.db2.gz RTEJSKFCFMNVEH-CYBMUJFWSA-N -1 3 399.524 3.658 20 0 GHADHM CC(C)OC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000820880025 897604979 /nfs/dbraw/zinc/60/49/79/897604979.db2.gz WNRMWPQBLPRGRH-UHFFFAOYSA-N -1 3 394.899 3.570 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(-c2ccccc2)s1 ZINC000826323577 897644629 /nfs/dbraw/zinc/64/46/29/897644629.db2.gz JNHWMGUSEDGFJN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(-c2ccccc2)s1 ZINC000826323577 897644632 /nfs/dbraw/zinc/64/46/32/897644632.db2.gz JNHWMGUSEDGFJN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN([C@@H](C)C(=O)[O-])C3CCC3)cc2)cc1 ZINC000568290643 897716669 /nfs/dbraw/zinc/71/66/69/897716669.db2.gz OAEGXTMELWXFPN-INIZCTEOSA-N -1 3 387.501 3.655 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000821406162 897864177 /nfs/dbraw/zinc/86/41/77/897864177.db2.gz AUJHJBRKYRXTLL-UHFFFAOYSA-N -1 3 392.419 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000821406162 897864182 /nfs/dbraw/zinc/86/41/82/897864182.db2.gz AUJHJBRKYRXTLL-UHFFFAOYSA-N -1 3 392.419 3.676 20 0 GHADHM CCc1ccc2c(CNc3ccc(-c4nn[n-]n4)cc3Cl)cc(=O)oc2c1 ZINC000821487079 897924487 /nfs/dbraw/zinc/92/44/87/897924487.db2.gz PXIGIIVPQUSDLD-UHFFFAOYSA-N -1 3 381.823 3.801 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc2ccccc2c1 ZINC000821618166 897989349 /nfs/dbraw/zinc/98/93/49/897989349.db2.gz TVJATNGJBQXPJH-UHFFFAOYSA-N -1 3 383.415 3.706 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc2ccccc2c1 ZINC000821618166 897989367 /nfs/dbraw/zinc/98/93/67/897989367.db2.gz TVJATNGJBQXPJH-UHFFFAOYSA-N -1 3 383.415 3.706 20 0 GHADHM COc1cc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c(C)cn1 ZINC001185930719 914210867 /nfs/dbraw/zinc/21/08/67/914210867.db2.gz KZSYYWXTSQTGDG-UHFFFAOYSA-N -1 3 399.491 3.813 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000568716326 898054811 /nfs/dbraw/zinc/05/48/11/898054811.db2.gz HDIRYAXDQLXIQV-UHFFFAOYSA-N -1 3 393.270 3.624 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1Br ZINC001185990064 914217874 /nfs/dbraw/zinc/21/78/74/914217874.db2.gz BTKFHHQSGPZZPQ-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c(=O)[n-]1 ZINC000568850440 898161855 /nfs/dbraw/zinc/16/18/55/898161855.db2.gz IRZBWGBXIBKWKH-UHFFFAOYSA-N -1 3 386.814 3.835 20 0 GHADHM C[C@@H](S[C@@H]1CCCCNC1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000105623717 898214844 /nfs/dbraw/zinc/21/48/44/898214844.db2.gz ARIIVTBHKHVUDB-ZWNOBZJWSA-N -1 3 389.502 3.708 20 0 GHADHM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1nc[n-]c1C(F)(F)F ZINC000822188949 898247496 /nfs/dbraw/zinc/24/74/96/898247496.db2.gz RQSRHDCBBUTSNZ-UHFFFAOYSA-N -1 3 375.354 3.950 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233671 898260902 /nfs/dbraw/zinc/26/09/02/898260902.db2.gz SPENSIBEHRTTFR-UXHICEINSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233671 898260922 /nfs/dbraw/zinc/26/09/22/898260922.db2.gz SPENSIBEHRTTFR-UXHICEINSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCOC4(CCCCC4)C3)cc2)cc(=O)[n-]1 ZINC000569065701 898313968 /nfs/dbraw/zinc/31/39/68/898313968.db2.gz ZCHFHFOWERTKMF-UHFFFAOYSA-N -1 3 382.464 3.725 20 0 GHADHM O=C(c1cc(Br)ccc1[O-])N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001170986082 898327052 /nfs/dbraw/zinc/32/70/52/898327052.db2.gz YSDVXBLIRPPFJG-SFHVURJKSA-N -1 3 398.260 3.666 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822352139 898343420 /nfs/dbraw/zinc/34/34/20/898343420.db2.gz UXSGZHWMADZYGM-IFXJQAMLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822352139 898343430 /nfs/dbraw/zinc/34/34/30/898343430.db2.gz UXSGZHWMADZYGM-IFXJQAMLSA-N -1 3 376.464 3.687 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2nn[n-]c21)c1cccc2ccccc21 ZINC000800209397 898745345 /nfs/dbraw/zinc/74/53/45/898745345.db2.gz WXAJXPZGMVOGQK-KGLIPLIRSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2[n-]nnc21)c1cccc2ccccc21 ZINC000800209397 898745357 /nfs/dbraw/zinc/74/53/57/898745357.db2.gz WXAJXPZGMVOGQK-KGLIPLIRSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC000800209397 898745358 /nfs/dbraw/zinc/74/53/58/898745358.db2.gz WXAJXPZGMVOGQK-KGLIPLIRSA-N -1 3 388.427 3.534 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(-c2ccccc2Cl)s1 ZINC001136654202 898777374 /nfs/dbraw/zinc/77/73/74/898777374.db2.gz YAMIFKRRQGKBHT-RCQQVGEISA-N -1 3 387.892 3.710 20 0 GHADHM C[C@@H]([N-]C(=O)c1ncc(C(F)(F)F)cc1Cl)c1nc(C(F)(F)F)no1 ZINC000823181132 898872162 /nfs/dbraw/zinc/87/21/62/898872162.db2.gz JGNZPJYXUNEJKP-SCSAIBSYSA-N -1 3 388.655 3.647 20 0 GHADHM O=C(NCCCC(F)(F)F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823187479 898877378 /nfs/dbraw/zinc/87/73/78/898877378.db2.gz LSEXYFPTCFBECR-UHFFFAOYSA-N -1 3 375.354 3.606 20 0 GHADHM O=C(NCCCC(F)(F)F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823187479 898877385 /nfs/dbraw/zinc/87/73/85/898877385.db2.gz LSEXYFPTCFBECR-UHFFFAOYSA-N -1 3 375.354 3.606 20 0 GHADHM O=C(Nc1ccc([O-])c(I)c1)Nc1cc(F)ccc1F ZINC001202658743 898925960 /nfs/dbraw/zinc/92/59/60/898925960.db2.gz VUFGMPKEWQTJKY-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C(C)(C)C1 ZINC000331689219 899084519 /nfs/dbraw/zinc/08/45/19/899084519.db2.gz SUMZDGACDWROFU-CQSZACIVSA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000646198452 914318105 /nfs/dbraw/zinc/31/81/05/914318105.db2.gz INVRQUKVUSRJOB-MNOVXSKESA-N -1 3 387.823 3.580 20 0 GHADHM CO[C@H](C)c1nc(=N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)s[n-]1 ZINC000509518715 899248340 /nfs/dbraw/zinc/24/83/40/899248340.db2.gz YBOYPZDUXVWTJM-LSTHTHJFSA-N -1 3 394.544 3.748 20 0 GHADHM CC1CCC(N2CCN(C(=O)c3cc(Br)c(F)cc3[O-])CC2)CC1 ZINC001136800272 899311934 /nfs/dbraw/zinc/31/19/34/899311934.db2.gz RFFCUSSXOZTAAI-UHFFFAOYSA-N -1 3 399.304 3.630 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000570497395 899345080 /nfs/dbraw/zinc/34/50/80/899345080.db2.gz UZONZJVWWLZDFX-DNVCBOLYSA-N -1 3 389.448 3.936 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1F ZINC001186186357 914348955 /nfs/dbraw/zinc/34/89/55/914348955.db2.gz OIEASTMQJCVCKC-IHRRRGAJSA-N -1 3 375.481 3.960 20 0 GHADHM C[C@@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000570682960 899504358 /nfs/dbraw/zinc/50/43/58/899504358.db2.gz VHWRTDUQWRDMDE-LZQZEXGQSA-N -1 3 377.444 3.869 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)no1 ZINC000570705859 899522008 /nfs/dbraw/zinc/52/20/08/899522008.db2.gz HRCZVHJQMCIAEU-UHFFFAOYSA-N -1 3 376.478 3.823 20 0 GHADHM CC(C)c1nnc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000824364544 899557683 /nfs/dbraw/zinc/55/76/83/899557683.db2.gz KXQLEZNCZVYVOQ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1nnc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000824364544 899557692 /nfs/dbraw/zinc/55/76/92/899557692.db2.gz KXQLEZNCZVYVOQ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3n[n-]c(=S)n3C3CC3)c12 ZINC000119340493 899593428 /nfs/dbraw/zinc/59/34/28/899593428.db2.gz YMLPMFOIFDBDTR-UHFFFAOYSA-N -1 3 395.492 3.517 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c(=O)[n-]1 ZINC000570796725 899599529 /nfs/dbraw/zinc/59/95/29/899599529.db2.gz KTJKUSWPIHBBSG-QGZVFWFLSA-N -1 3 399.882 3.625 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472423 899618081 /nfs/dbraw/zinc/61/80/81/899618081.db2.gz WBGOXHSDXJNIOS-SCLBCKFNSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472423 899618084 /nfs/dbraw/zinc/61/80/84/899618084.db2.gz WBGOXHSDXJNIOS-SCLBCKFNSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824522678 899658132 /nfs/dbraw/zinc/65/81/32/899658132.db2.gz TXQLYSONDSBGLE-LBPRGKRZSA-N -1 3 382.493 3.643 20 0 GHADHM C[C@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824522678 899658141 /nfs/dbraw/zinc/65/81/41/899658141.db2.gz TXQLYSONDSBGLE-LBPRGKRZSA-N -1 3 382.493 3.643 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)s1 ZINC000570881107 899663230 /nfs/dbraw/zinc/66/32/30/899663230.db2.gz RPODLQXXBORIKW-TVQRCGJNSA-N -1 3 388.308 3.620 20 0 GHADHM C[C@H](NC(=O)NCc1ccoc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499382 899666771 /nfs/dbraw/zinc/66/67/71/899666771.db2.gz OKSBYKSHVYCSNP-AWEZNQCLSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NC(=O)NCc1ccoc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499382 899666775 /nfs/dbraw/zinc/66/67/75/899666775.db2.gz OKSBYKSHVYCSNP-AWEZNQCLSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NC(=O)NOC1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505919 899674765 /nfs/dbraw/zinc/67/47/65/899674765.db2.gz JWNQUXPIHGVQAV-AWEZNQCLSA-N -1 3 392.463 3.768 20 0 GHADHM C[C@H](NC(=O)NOC1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505919 899674776 /nfs/dbraw/zinc/67/47/76/899674776.db2.gz JWNQUXPIHGVQAV-AWEZNQCLSA-N -1 3 392.463 3.768 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc3c(cccc3C(F)(F)F)s2)c(=O)[n-]1 ZINC000119789282 899683787 /nfs/dbraw/zinc/68/37/87/899683787.db2.gz TYMLNRVAALXECV-UHFFFAOYSA-N -1 3 396.394 3.587 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824715619 899782886 /nfs/dbraw/zinc/78/28/86/899782886.db2.gz TVDNYNHSXCMKBM-AWEZNQCLSA-N -1 3 390.443 3.623 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824715619 899782888 /nfs/dbraw/zinc/78/28/88/899782888.db2.gz TVDNYNHSXCMKBM-AWEZNQCLSA-N -1 3 390.443 3.623 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824728402 899789911 /nfs/dbraw/zinc/78/99/11/899789911.db2.gz FYOKATBBLXEJNC-LSDHHAIUSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824728402 899789922 /nfs/dbraw/zinc/78/99/22/899789922.db2.gz FYOKATBBLXEJNC-LSDHHAIUSA-N -1 3 391.475 3.526 20 0 GHADHM CCC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCOCC1 ZINC000332728760 899871327 /nfs/dbraw/zinc/87/13/27/899871327.db2.gz ZBOFWBOTWGZEIR-UHFFFAOYSA-N -1 3 396.260 3.546 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1C ZINC000825113625 899984723 /nfs/dbraw/zinc/98/47/23/899984723.db2.gz CORDULCSQUPLKV-UHFFFAOYSA-N -1 3 399.524 3.925 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1C ZINC000825113625 899984731 /nfs/dbraw/zinc/98/47/31/899984731.db2.gz CORDULCSQUPLKV-UHFFFAOYSA-N -1 3 399.524 3.925 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825115456 899987567 /nfs/dbraw/zinc/98/75/67/899987567.db2.gz ZATSSJGCWZXYLU-UHFFFAOYSA-N -1 3 384.488 3.542 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825115456 899987572 /nfs/dbraw/zinc/98/75/72/899987572.db2.gz ZATSSJGCWZXYLU-UHFFFAOYSA-N -1 3 384.488 3.542 20 0 GHADHM CN1CCOc2ccc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)cc21 ZINC001137209299 900061304 /nfs/dbraw/zinc/06/13/04/900061304.db2.gz ZNZYLKAJQPUKJG-UHFFFAOYSA-N -1 3 390.465 3.571 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000825313364 900115176 /nfs/dbraw/zinc/11/51/76/900115176.db2.gz CLODFKAJFIVNFQ-SFHVURJKSA-N -1 3 395.894 3.989 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000825313364 900115185 /nfs/dbraw/zinc/11/51/85/900115185.db2.gz CLODFKAJFIVNFQ-SFHVURJKSA-N -1 3 395.894 3.989 20 0 GHADHM CC(C)(C(=O)Nc1ccc(I)cc1[O-])c1cccc(O)c1 ZINC001154104796 900160112 /nfs/dbraw/zinc/16/01/12/900160112.db2.gz WECPQNZCNMDUBY-UHFFFAOYSA-N -1 3 397.212 3.619 20 0 GHADHM O=C(Cc1csc(C2CCCC2)n1)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884612475 900195413 /nfs/dbraw/zinc/19/54/13/900195413.db2.gz MFEXRGFWXRGARM-UHFFFAOYSA-N -1 3 385.445 3.842 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H](CC2CC2)C1 ZINC000572554101 900218277 /nfs/dbraw/zinc/21/82/77/900218277.db2.gz KNTSAFGSZUDKHB-GFCCVEGCSA-N -1 3 375.266 3.553 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000843889203 900291874 /nfs/dbraw/zinc/29/18/74/900291874.db2.gz LKIDMJTWVZJKIH-JOCHJYFZSA-N -1 3 398.459 3.973 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc4c3OC(C)(C)C[C@@H]4O)c[n-]c12 ZINC000885654407 900569116 /nfs/dbraw/zinc/56/91/16/900569116.db2.gz OKWUCQXFCKJMLJ-KRWDZBQOSA-N -1 3 396.418 3.822 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccc(Cl)cc1 ZINC001186305618 914457278 /nfs/dbraw/zinc/45/72/78/914457278.db2.gz XSWQVGOCLKNOLX-UHFFFAOYSA-N -1 3 376.309 3.753 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N(C)Cc3nnc4n3CCCCC4)c2c1 ZINC000844208552 900601914 /nfs/dbraw/zinc/60/19/14/900601914.db2.gz RCDMJKWSZMWQDO-UHFFFAOYSA-N -1 3 379.464 3.504 20 0 GHADHM O=C(Nc1cnc2c(c1)CCCC2)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826459455 900669408 /nfs/dbraw/zinc/66/94/08/900669408.db2.gz KMVOIUXNJKQICL-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1cnc2c(c1)CCCC2)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826459455 900669412 /nfs/dbraw/zinc/66/94/12/900669412.db2.gz KMVOIUXNJKQICL-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCCCS1 ZINC000826468447 900694742 /nfs/dbraw/zinc/69/47/42/900694742.db2.gz QMOXGGBMHHQYOW-KRWDZBQOSA-N -1 3 382.445 3.850 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCCCS1 ZINC000826468447 900694749 /nfs/dbraw/zinc/69/47/49/900694749.db2.gz QMOXGGBMHHQYOW-KRWDZBQOSA-N -1 3 382.445 3.850 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1coc(-c2ccccc2Cl)n1 ZINC000826464651 900703228 /nfs/dbraw/zinc/70/32/28/900703228.db2.gz GXIAVKBOALBIHP-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1coc(-c2ccccc2Cl)n1 ZINC000826464651 900703242 /nfs/dbraw/zinc/70/32/42/900703242.db2.gz GXIAVKBOALBIHP-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM COc1ccsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158027416 900965484 /nfs/dbraw/zinc/96/54/84/900965484.db2.gz WBWIZTRPCKYKOE-CQSZACIVSA-N -1 3 380.897 3.510 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCCC(=O)N3)c2)cc1C ZINC000886485962 901068171 /nfs/dbraw/zinc/06/81/71/901068171.db2.gz NUPPLGSJQXCPPT-SFHVURJKSA-N -1 3 388.489 3.536 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCCC(=O)N3)c2)cc1 ZINC000886486017 901069542 /nfs/dbraw/zinc/06/95/42/901069542.db2.gz SAZHMKJDUITFBE-IBGZPJMESA-N -1 3 388.489 3.617 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3cnn(C)c3)CC(C)C)cc2)cc(=O)[n-]1 ZINC000575621255 901250731 /nfs/dbraw/zinc/25/07/31/901250731.db2.gz ROZVBTCZYQLKFF-UHFFFAOYSA-N -1 3 394.479 3.581 20 0 GHADHM O=c1nc(CN2CC[C@@H]([C@@H]3CCCO3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000886828205 901289662 /nfs/dbraw/zinc/28/96/62/901289662.db2.gz ZIYGMDPNDSFZCU-PBHICJAKSA-N -1 3 399.491 3.792 20 0 GHADHM COc1ccc(-c2noc([C@H](C)N3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)n2)cc1 ZINC000575809539 901328951 /nfs/dbraw/zinc/32/89/51/901328951.db2.gz WYQXQZDDODYHPI-GDIGMMSISA-N -1 3 393.443 3.606 20 0 GHADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000576093567 901675380 /nfs/dbraw/zinc/67/53/80/901675380.db2.gz VLDDFNPJCMWCSR-QGZVFWFLSA-N -1 3 383.391 3.788 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122127343 901728726 /nfs/dbraw/zinc/72/87/26/901728726.db2.gz CRBVXABEJMDKHX-LJQANCHMSA-N -1 3 392.459 3.698 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845192845 901928037 /nfs/dbraw/zinc/92/80/37/901928037.db2.gz GKZXKHBQZHTQGN-CYBMUJFWSA-N -1 3 390.867 3.610 20 0 GHADHM CCCN(CCc1ccccn1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126244572 902301858 /nfs/dbraw/zinc/30/18/58/902301858.db2.gz KBAUQAPHHUVRRG-UHFFFAOYSA-N -1 3 392.297 3.714 20 0 GHADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576930742 902371171 /nfs/dbraw/zinc/37/11/71/902371171.db2.gz KKJMRHRBKYNUFN-LLVKDONJSA-N -1 3 390.281 3.573 20 0 GHADHM C[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1c[nH]c2ccccc21 ZINC000290318681 914626841 /nfs/dbraw/zinc/62/68/41/914626841.db2.gz ICZUHRRHUSFLCJ-KGLIPLIRSA-N -1 3 395.425 3.579 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000845973799 902554416 /nfs/dbraw/zinc/55/44/16/902554416.db2.gz DBRMMPMNIWDZSX-GJZGRUSLSA-N -1 3 382.284 3.916 20 0 GHADHM [O-]c1cc(F)c(CN2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1F ZINC001144650773 902557969 /nfs/dbraw/zinc/55/79/69/902557969.db2.gz BRBPNRZRYOHWKI-UHFFFAOYSA-N -1 3 394.487 3.599 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144663406 902584438 /nfs/dbraw/zinc/58/44/38/902584438.db2.gz DIXXQKPDYDRGEH-QGZVFWFLSA-N -1 3 382.451 3.940 20 0 GHADHM Cc1ncc2n1C[C@@H](C(=O)N=c1cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]1)CC2 ZINC000577498112 902822104 /nfs/dbraw/zinc/82/21/04/902822104.db2.gz KQTIAHYGPXBDLR-NSHDSACASA-N -1 3 390.274 3.511 20 0 GHADHM Cc1ncc2n1C[C@H](C(=O)N=c1cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]1)CC2 ZINC000577498111 902822328 /nfs/dbraw/zinc/82/23/28/902822328.db2.gz KQTIAHYGPXBDLR-LLVKDONJSA-N -1 3 390.274 3.511 20 0 GHADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000846273390 902839545 /nfs/dbraw/zinc/83/95/45/902839545.db2.gz YSJBXGUNFVGEKS-QGZVFWFLSA-N -1 3 387.785 3.768 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000048170547 903006960 /nfs/dbraw/zinc/00/69/60/903006960.db2.gz WBKKSARNPPZAQE-UHFFFAOYSA-N -1 3 382.441 3.750 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000577760402 903160414 /nfs/dbraw/zinc/16/04/14/903160414.db2.gz AXZAVIKELVVYKZ-GOSISDBHSA-N -1 3 378.241 3.817 20 0 GHADHM Cc1ccccc1CN1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000646584309 914693359 /nfs/dbraw/zinc/69/33/59/914693359.db2.gz VWSSCNJMOBEDNO-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(Oc3ncccc3C)CC2)c([O-])c1 ZINC000577853075 903271015 /nfs/dbraw/zinc/27/10/15/903271015.db2.gz VCYONCGXWCCKDO-UHFFFAOYSA-N -1 3 384.476 3.958 20 0 GHADHM CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000264699993 903325118 /nfs/dbraw/zinc/32/51/18/903325118.db2.gz JLUMBAJELXQLFS-UHFFFAOYSA-N -1 3 385.464 3.508 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Br)c(F)c1 ZINC001186684357 914720051 /nfs/dbraw/zinc/72/00/51/914720051.db2.gz JVPNMDUPHWNQRO-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000578285450 903692719 /nfs/dbraw/zinc/69/27/19/903692719.db2.gz FWHTZPOJUDLUQN-UHFFFAOYSA-N -1 3 393.270 3.687 20 0 GHADHM Cc1ccc(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)s1 ZINC000578400701 903806276 /nfs/dbraw/zinc/80/62/76/903806276.db2.gz MNZDRQPSTABUGI-LLVKDONJSA-N -1 3 397.909 3.723 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2Cc2ccccc2Br)n1 ZINC001171308783 903814102 /nfs/dbraw/zinc/81/41/02/903814102.db2.gz UIHARRNKNOYVOA-HNNXBMFYSA-N -1 3 376.298 3.714 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cc(F)cc(Br)c1 ZINC000578548207 903950909 /nfs/dbraw/zinc/95/09/09/903950909.db2.gz PFJUENVNICAYBZ-ZDUSSCGKSA-N -1 3 394.244 3.842 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000646674698 914764831 /nfs/dbraw/zinc/76/48/31/914764831.db2.gz QNXSMUPFFSXNRM-UHFFFAOYSA-N -1 3 395.381 3.871 20 0 GHADHM COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C)ccn3)ccc2C)c1[O-] ZINC001148202976 904014986 /nfs/dbraw/zinc/01/49/86/904014986.db2.gz VBBLHSXJECSYCQ-UHFFFAOYSA-N -1 3 391.427 3.917 20 0 GHADHM COc1ccc(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c([O-])c1 ZINC001148362714 904055746 /nfs/dbraw/zinc/05/57/46/904055746.db2.gz LNKFIFSZQQPSDW-UHFFFAOYSA-N -1 3 396.487 3.947 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3noc4c3C[C@@H](C)CC4)c2)n1 ZINC000578829465 904156672 /nfs/dbraw/zinc/15/66/72/904156672.db2.gz MTXHJAOLNSWYDR-LBPRGKRZSA-N -1 3 378.432 3.777 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@H]1C ZINC000579510405 904663799 /nfs/dbraw/zinc/66/37/99/904663799.db2.gz RIOYOFOJRAUDJD-DTORHVGOSA-N -1 3 383.673 3.672 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000579510755 904664397 /nfs/dbraw/zinc/66/43/97/904664397.db2.gz DUICYEOMZWJDJR-KRWDZBQOSA-N -1 3 390.365 3.928 20 0 GHADHM C[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000646773753 914834811 /nfs/dbraw/zinc/83/48/11/914834811.db2.gz GVLRIXBGYBFMCT-NSHDSACASA-N -1 3 384.423 3.649 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(C2CC2)CC1 ZINC000646773929 914835086 /nfs/dbraw/zinc/83/50/86/914835086.db2.gz ODOYDLBLXWNMCI-QFIPXVFZSA-N -1 3 392.499 3.902 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)[C@@H]2CC23CCCC3)c2ccccc21)C(F)(F)F ZINC001171914458 905144880 /nfs/dbraw/zinc/14/48/80/905144880.db2.gz BAVQIXOYFKAUSP-ZFWWWQNUSA-N -1 3 380.410 3.766 20 0 GHADHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccc(C)c(C)c1 ZINC000189639334 905228409 /nfs/dbraw/zinc/22/84/09/905228409.db2.gz HNKGFYXCDGQQHZ-KRWDZBQOSA-N -1 3 378.266 3.775 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000901466727 921135840 /nfs/dbraw/zinc/13/58/40/921135840.db2.gz NANYDKSVBDNDLI-MRXNPFEDSA-N -1 3 392.240 3.983 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000176627786 905899269 /nfs/dbraw/zinc/89/92/69/905899269.db2.gz KZXNXNHGKUZQLR-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM O=C(CCc1cccs1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628159 905900267 /nfs/dbraw/zinc/90/02/67/905900267.db2.gz YPXBWGWQGUKHNR-UHFFFAOYSA-N -1 3 392.908 3.917 20 0 GHADHM O=C([O-])c1cn(C2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)nn1 ZINC000901523417 921200578 /nfs/dbraw/zinc/20/05/78/921200578.db2.gz LNTLWRZOLNDUAV-UHFFFAOYSA-N -1 3 386.452 3.681 20 0 GHADHM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000901524236 921201165 /nfs/dbraw/zinc/20/11/65/921201165.db2.gz JTKIKAFDAQUXFL-ZDUSSCGKSA-N -1 3 386.452 3.681 20 0 GHADHM CCOCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CCc2ccccc21 ZINC000628953106 906384768 /nfs/dbraw/zinc/38/47/68/906384768.db2.gz WHJRYWNZKNPCGV-SFHVURJKSA-N -1 3 385.460 3.576 20 0 GHADHM O=C([C@H](Cc1ccccc1)NCc1c([O-])ccc(Cl)c1F)N1CCCC1 ZINC000190913571 906422167 /nfs/dbraw/zinc/42/21/67/906422167.db2.gz JXVVWGYFCSJYRW-KRWDZBQOSA-N -1 3 376.859 3.508 20 0 GHADHM COc1cc(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)cc(OC)c1[O-] ZINC000629030024 906456618 /nfs/dbraw/zinc/45/66/18/906456618.db2.gz YIESIQCPGYLJRQ-UHFFFAOYSA-N -1 3 381.350 3.627 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)cs2)c1 ZINC000629048056 906462936 /nfs/dbraw/zinc/46/29/36/906462936.db2.gz KTIGDHOJVADVPQ-GFENJXEQSA-N -1 3 399.516 3.504 20 0 GHADHM CCC(=O)N1CC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179933547 906638033 /nfs/dbraw/zinc/63/80/33/906638033.db2.gz JSKNKHXNDBLANV-ZDUSSCGKSA-N -1 3 395.484 3.866 20 0 GHADHM CCO[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)C1CC1 ZINC000629305674 906693063 /nfs/dbraw/zinc/69/30/63/906693063.db2.gz OZXQXTKJUWRIME-GOSISDBHSA-N -1 3 388.480 3.512 20 0 GHADHM C[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000629498872 906835290 /nfs/dbraw/zinc/83/52/90/906835290.db2.gz AFRDAZFKYSJWNA-JXFKEZNVSA-N -1 3 390.499 3.530 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000299259052 921271065 /nfs/dbraw/zinc/27/10/65/921271065.db2.gz OVPSGVBVRMIMEE-INIZCTEOSA-N -1 3 390.487 3.623 20 0 GHADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc2c(c1)CCO2 ZINC000182726957 907257646 /nfs/dbraw/zinc/25/76/46/907257646.db2.gz WVFXXOMNRJJCME-INIZCTEOSA-N -1 3 376.478 3.565 20 0 GHADHM COc1cccc(C[C@H](NCc2c(F)cccc2OC(F)(F)F)C(=O)[O-])c1 ZINC000630463212 907292342 /nfs/dbraw/zinc/29/23/42/907292342.db2.gz JILWXZNXLXRSOR-HNNXBMFYSA-N -1 3 387.329 3.518 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CC(C)C)C2)c1 ZINC000183194974 907349830 /nfs/dbraw/zinc/34/98/30/907349830.db2.gz UJVGETSRHGTBEM-OAHLLOKOSA-N -1 3 385.464 3.839 20 0 GHADHM [O-]c1ccc(F)c(Nc2nc(Br)cnc2Br)c1F ZINC001175262471 907474009 /nfs/dbraw/zinc/47/40/09/907474009.db2.gz FXZOCKNIUHHVHB-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM COC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCCC1 ZINC000184311898 907559365 /nfs/dbraw/zinc/55/93/65/907559365.db2.gz HSOYXBGNXKYELO-UHFFFAOYSA-N -1 3 394.899 3.572 20 0 GHADHM O=S(=O)([O-])c1ccc(NC2=CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC001175507471 907595951 /nfs/dbraw/zinc/59/59/51/907595951.db2.gz WJUCUTFXYRODDO-UHFFFAOYSA-N -1 3 378.881 3.788 20 0 GHADHM CCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[n-]1 ZINC000184612121 907621278 /nfs/dbraw/zinc/62/12/78/907621278.db2.gz SHGGQWHFILANGB-UHFFFAOYSA-N -1 3 376.503 3.593 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631923337 907875668 /nfs/dbraw/zinc/87/56/68/907875668.db2.gz SQQVBKBKWAUCER-NSHDSACASA-N -1 3 395.531 3.629 20 0 GHADHM CCOC(=O)C(=Cc1cccc(OC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000192749938 907876864 /nfs/dbraw/zinc/87/68/64/907876864.db2.gz FKGZXXJWUAAPJZ-GDNBJRDFSA-N -1 3 384.457 3.714 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1C=CCC1 ZINC001176063426 907921873 /nfs/dbraw/zinc/92/18/73/907921873.db2.gz FCYYHZCJZAZVKS-OAHLLOKOSA-N -1 3 388.464 3.631 20 0 GHADHM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000632540109 908053700 /nfs/dbraw/zinc/05/37/00/908053700.db2.gz WQDDMSZVJUWDDS-CVEARBPZSA-N -1 3 384.448 3.703 20 0 GHADHM O=C([O-])C[C@@H](c1ccccc1)C1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000901599316 921386065 /nfs/dbraw/zinc/38/60/65/921386065.db2.gz JEVYYAGOPHDIIZ-FQEVSTJZSA-N -1 3 381.472 3.928 20 0 GHADHM Cc1cn(C2CCOCC2)nc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000633250472 908255809 /nfs/dbraw/zinc/25/58/09/908255809.db2.gz LGFWVHRXEQJYQW-UHFFFAOYSA-N -1 3 394.269 3.572 20 0 GHADHM CCc1noc2ncc(C(=O)[N-]c3nnc(C(F)(F)C(F)(F)F)s3)cc12 ZINC000633727033 908447655 /nfs/dbraw/zinc/44/76/55/908447655.db2.gz AFIRUUMXRCGNPC-UHFFFAOYSA-N -1 3 393.297 3.543 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001177306466 908537423 /nfs/dbraw/zinc/53/74/23/908537423.db2.gz YKTDXPSWJAYGKJ-HNNXBMFYSA-N -1 3 398.459 3.924 20 0 GHADHM CCn1ncnc1CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533068 908795447 /nfs/dbraw/zinc/79/54/47/908795447.db2.gz NUHDWVHIBZXDEU-SNVBAGLBSA-N -1 3 387.490 3.850 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(C(F)(F)F)n[n-]2)cc1)c1cccs1 ZINC000773735369 908961394 /nfs/dbraw/zinc/96/13/94/908961394.db2.gz WXKAZKHNLJZAFG-UHFFFAOYSA-N -1 3 381.335 3.962 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(C(F)(F)F)[n-]n2)cc1)c1cccs1 ZINC000773735369 908961407 /nfs/dbraw/zinc/96/14/07/908961407.db2.gz WXKAZKHNLJZAFG-UHFFFAOYSA-N -1 3 381.335 3.962 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cnn3c2nccc3-c2cccnc2)s1 ZINC000635406059 909235545 /nfs/dbraw/zinc/23/55/45/909235545.db2.gz MSBBDORXUGFHDM-UHFFFAOYSA-N -1 3 393.476 3.628 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)[n-]n1 ZINC001179082799 909378566 /nfs/dbraw/zinc/37/85/66/909378566.db2.gz QACNLSTWZAAHJF-UHFFFAOYSA-N -1 3 381.436 3.536 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)n[n-]1 ZINC001179082799 909378582 /nfs/dbraw/zinc/37/85/82/909378582.db2.gz QACNLSTWZAAHJF-UHFFFAOYSA-N -1 3 381.436 3.536 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000795236528 909410480 /nfs/dbraw/zinc/41/04/80/909410480.db2.gz ODVXEBLHIMQRCA-GJZGRUSLSA-N -1 3 389.304 3.569 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCC(=O)c2ccc(CC(C)C)cc2)n1 ZINC000636115728 909437118 /nfs/dbraw/zinc/43/71/18/909437118.db2.gz SPGWRCRTVUYJNY-UHFFFAOYSA-N -1 3 383.492 3.704 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1[O-] ZINC001179351728 909479489 /nfs/dbraw/zinc/47/94/89/909479489.db2.gz HEKQQUXUTGNXQU-OPAMFIHVSA-N -1 3 388.508 3.864 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2CC(=O)Nc1ccc(F)c([O-])c1 ZINC001179402386 909505172 /nfs/dbraw/zinc/50/51/72/909505172.db2.gz RXGDRDBIWNHONG-NNQSOWQGSA-N -1 3 378.444 3.753 20 0 GHADHM Cc1nc(CSc2ccc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)cc2)cs1 ZINC000636282695 909518892 /nfs/dbraw/zinc/51/88/92/909518892.db2.gz RUEXBGQFHLHBDU-UHFFFAOYSA-N -1 3 398.513 3.704 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1OC ZINC000636317908 909535980 /nfs/dbraw/zinc/53/59/80/909535980.db2.gz LEDNRMFGDVMAKD-UHFFFAOYSA-N -1 3 385.464 3.567 20 0 GHADHM Cc1nc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(-c2ccccc2)s1 ZINC000636320225 909539190 /nfs/dbraw/zinc/53/91/90/909539190.db2.gz JTBVHCWNDPFIHQ-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319558 909540034 /nfs/dbraw/zinc/54/00/34/909540034.db2.gz RULAIYHIGFRACK-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319915 909540132 /nfs/dbraw/zinc/54/01/32/909540132.db2.gz YBOGZPGLDXWSEH-GFCCVEGCSA-N -1 3 393.409 3.964 20 0 GHADHM O=C(CCc1ccc2ccccc2c1O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323435 909543119 /nfs/dbraw/zinc/54/31/19/909543119.db2.gz YTDJIHSYRUOZSL-UHFFFAOYSA-N -1 3 377.444 3.558 20 0 GHADHM CCOCCOc1cc(C)ccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268078189 909762862 /nfs/dbraw/zinc/76/28/62/909762862.db2.gz OEXFSRBNTVPODR-UHFFFAOYSA-N -1 3 380.444 3.594 20 0 GHADHM C[C@H](COCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1 ZINC001179954011 909864644 /nfs/dbraw/zinc/86/46/44/909864644.db2.gz ABMSDTFMQFYPHY-MRXNPFEDSA-N -1 3 393.443 3.526 20 0 GHADHM C[C@H](COCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1 ZINC001179954011 909864651 /nfs/dbraw/zinc/86/46/51/909864651.db2.gz ABMSDTFMQFYPHY-MRXNPFEDSA-N -1 3 393.443 3.526 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC2(c3c(Cl)cccc3Cl)CC2)c(=O)[n-]1 ZINC000268504484 909909175 /nfs/dbraw/zinc/90/91/75/909909175.db2.gz JXTRIKZDGJEBLG-UHFFFAOYSA-N -1 3 380.275 3.844 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000268667401 909970721 /nfs/dbraw/zinc/97/07/21/909970721.db2.gz ANTRFWDNGHFRJN-UHFFFAOYSA-N -1 3 378.270 3.695 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180221829 910022359 /nfs/dbraw/zinc/02/23/59/910022359.db2.gz LZAZDSAKYKYVAT-SAZUREKKSA-N -1 3 380.423 3.634 20 0 GHADHM COc1cccc2c1CCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C2 ZINC001180637161 910279466 /nfs/dbraw/zinc/27/94/66/910279466.db2.gz ASLMPCMZPPSMAQ-HNNXBMFYSA-N -1 3 390.277 3.841 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269686746 910334949 /nfs/dbraw/zinc/33/49/49/910334949.db2.gz NFRVCNQAMPQDRE-UZLBHIALSA-N -1 3 380.419 3.808 20 0 GHADHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000270101037 910439747 /nfs/dbraw/zinc/43/97/47/910439747.db2.gz LUSIOBFJLBBEHM-MRXNPFEDSA-N -1 3 386.455 3.903 20 0 GHADHM COc1ccc([C@H]2CN(C(=O)c3cc4sccc4c([O-])c3)CCO2)cc1OC ZINC001181090154 910528518 /nfs/dbraw/zinc/52/85/18/910528518.db2.gz PWAMLWBGKBEAHV-LJQANCHMSA-N -1 3 399.468 3.838 20 0 GHADHM CC(C)[C@@](C)(CC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000901819142 921591101 /nfs/dbraw/zinc/59/11/01/921591101.db2.gz PJVSTDODGHOUIB-CYBMUJFWSA-N -1 3 394.107 3.586 20 0 GHADHM COc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cc(OC)c1[O-] ZINC000270697906 910664888 /nfs/dbraw/zinc/66/48/88/910664888.db2.gz DUTRAMLBIQLFRZ-KZULUSFZSA-N -1 3 391.851 3.665 20 0 GHADHM CCc1cc2c(CNc3ccc(OC(C)C)c(C(N)=O)c3)cc(=O)oc2cc1[O-] ZINC000795500374 910741397 /nfs/dbraw/zinc/74/13/97/910741397.db2.gz ZVWKALDHXCIGIZ-UHFFFAOYSA-N -1 3 396.443 3.559 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001181408856 910763656 /nfs/dbraw/zinc/76/36/56/910763656.db2.gz KJOVVOODVMFYHC-RVKKMQEKSA-N -1 3 399.495 3.589 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001181408856 910763659 /nfs/dbraw/zinc/76/36/59/910763659.db2.gz KJOVVOODVMFYHC-RVKKMQEKSA-N -1 3 399.495 3.589 20 0 GHADHM CCc1ccc(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)c([O-])c1 ZINC001181857024 911041331 /nfs/dbraw/zinc/04/13/31/911041331.db2.gz SXVGQOAFQIZJMZ-QGZVFWFLSA-N -1 3 387.785 3.788 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000641386896 911398825 /nfs/dbraw/zinc/39/88/25/911398825.db2.gz MMVCJYNQTRRLCJ-HZPDHXFCSA-N -1 3 385.432 3.588 20 0 GHADHM Cc1ccnc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1Br ZINC000901871319 921667269 /nfs/dbraw/zinc/66/72/69/921667269.db2.gz FCOHOPRDMXRXOO-UKRRQHHQSA-N -1 3 377.282 3.574 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@@H](CNCc1ncc(Br)s1)CCC2 ZINC000901881489 921683689 /nfs/dbraw/zinc/68/36/89/921683689.db2.gz QZYBKXKVHGRBTF-GFCCVEGCSA-N -1 3 381.295 3.814 20 0 GHADHM Cc1nc([C@H](C)N2CCC(c3n[n-]c(=O)o3)CC2)oc1-c1ccc(Cl)cc1 ZINC000284248564 911801611 /nfs/dbraw/zinc/80/16/11/911801611.db2.gz LGDPPDORHXETFA-LBPRGKRZSA-N -1 3 388.855 3.920 20 0 GHADHM COc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)ccc1OCc1cccs1 ZINC000901890935 921703581 /nfs/dbraw/zinc/70/35/81/921703581.db2.gz LZJGBPRPKBHCLL-HNNXBMFYSA-N -1 3 393.530 3.585 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)cs1 ZINC000642346663 912005917 /nfs/dbraw/zinc/00/59/17/912005917.db2.gz UKCOKOAKHIAHOE-NSHDSACASA-N -1 3 382.489 3.651 20 0 GHADHM COc1ccc([C@@H](O)C2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000290983196 914896955 /nfs/dbraw/zinc/89/69/55/914896955.db2.gz AVHWGZKRVDPZBG-OAQYLSRUSA-N -1 3 392.455 3.535 20 0 GHADHM Cc1cccc(-c2n[nH]cc2CN2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000901929999 921739499 /nfs/dbraw/zinc/73/94/99/921739499.db2.gz GDHDVTIDQXWJIN-UHFFFAOYSA-N -1 3 382.489 3.919 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccc2)c1C)C(C)C ZINC000647125942 915040198 /nfs/dbraw/zinc/04/01/98/915040198.db2.gz JETDTCAJRASDMC-LJQANCHMSA-N -1 3 390.505 3.660 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000647270170 915119701 /nfs/dbraw/zinc/11/97/01/915119701.db2.gz QKUUVNJFMUJUOQ-UHFFFAOYSA-N -1 3 378.469 3.539 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2F)cc1 ZINC001187428144 915242312 /nfs/dbraw/zinc/24/23/12/915242312.db2.gz JNOQUSGTGOCGHW-UHFFFAOYSA-N -1 3 386.832 3.626 20 0 GHADHM CC1(C(=O)[O-])CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000647464546 915274399 /nfs/dbraw/zinc/27/43/99/915274399.db2.gz YNLVOIMLXPVZRC-UHFFFAOYSA-N -1 3 381.398 3.637 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000291951325 915435561 /nfs/dbraw/zinc/43/55/61/915435561.db2.gz UMHPGTFPBLQUJF-QGZVFWFLSA-N -1 3 378.432 3.958 20 0 GHADHM O=S(=O)(c1ccc(NCCc2c(F)cc([O-])cc2F)cc1)C(F)(F)F ZINC001187708586 915466635 /nfs/dbraw/zinc/46/66/35/915466635.db2.gz IQEZEEIJCPFOSJ-UHFFFAOYSA-N -1 3 381.322 3.619 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Br)c1cnc(Cl)c(Cl)c1 ZINC001188066983 915731892 /nfs/dbraw/zinc/73/18/92/915731892.db2.gz HTBASLCZSRHXPW-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM O=S(=O)([N-]CCSCc1ccc(F)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188079340 915741370 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Cc1nc(C)c(CCC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)c(=O)[n-]1 ZINC000098127158 916242279 /nfs/dbraw/zinc/24/22/79/916242279.db2.gz KRJQMJVDYOFDQI-UHFFFAOYSA-N -1 3 390.487 3.594 20 0 GHADHM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC001188894756 916284664 /nfs/dbraw/zinc/28/46/64/916284664.db2.gz QKSDVFMIXPSGMS-UHFFFAOYSA-N -1 3 398.484 3.908 20 0 GHADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1OCCc2sccc21 ZINC000293714467 916342956 /nfs/dbraw/zinc/34/29/56/916342956.db2.gz NVQFYBXJSROKCT-HWPZZCPQSA-N -1 3 396.306 3.783 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2F)c1 ZINC001189233013 916482287 /nfs/dbraw/zinc/48/22/87/916482287.db2.gz XJKXPZNXXRDVFH-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC001189311607 916542668 /nfs/dbraw/zinc/54/26/68/916542668.db2.gz SPGRJHLPBQUTKJ-UHFFFAOYSA-N -1 3 376.294 3.641 20 0 GHADHM Cc1nc(NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)cc(=O)[n-]1 ZINC001189425651 916628461 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CN(CCN(C)C(=O)c1cc(Br)ccc1[S-])Cc1ccccc1 ZINC001189950528 917014442 /nfs/dbraw/zinc/01/44/42/917014442.db2.gz MMEHWCCXPNABQK-UHFFFAOYSA-N -1 3 393.350 3.942 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(Cl)c(Cl)c1 ZINC000121378612 917212549 /nfs/dbraw/zinc/21/25/49/917212549.db2.gz BWMDGGONOWORPO-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CC(C)(Cc1ccccn1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190350428 917278814 /nfs/dbraw/zinc/27/88/14/917278814.db2.gz IFAGBUVLJRKPHE-UHFFFAOYSA-N -1 3 376.375 3.539 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC001190600883 917441170 /nfs/dbraw/zinc/44/11/70/917441170.db2.gz JKJQCOWMAVIZSX-ZDUSSCGKSA-N -1 3 381.881 3.783 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC001190648947 917478144 /nfs/dbraw/zinc/47/81/44/917478144.db2.gz DUHSMOVBXYGMAL-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC001190648947 917478152 /nfs/dbraw/zinc/47/81/52/917478152.db2.gz DUHSMOVBXYGMAL-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651264954 917558270 /nfs/dbraw/zinc/55/82/70/917558270.db2.gz VCXQOCVKAPFDGL-OLZOCXBDSA-N -1 3 390.427 3.842 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@H](c2c(Cl)cccc2Cl)C2CC2)nc1Cl ZINC001190937978 917649730 /nfs/dbraw/zinc/64/97/30/917649730.db2.gz MFXKJVOGVYAXOB-ZDUSSCGKSA-N -1 3 394.711 3.810 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2c(Cl)cccc2Cl)C2CC2)nc1Cl ZINC001190937977 917650196 /nfs/dbraw/zinc/65/01/96/917650196.db2.gz MFXKJVOGVYAXOB-CYBMUJFWSA-N -1 3 394.711 3.810 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(=O)[n-]c2Cl)cc1 ZINC001190917880 917661784 /nfs/dbraw/zinc/66/17/84/917661784.db2.gz JTMJZFRMYJSRCU-UHFFFAOYSA-N -1 3 391.855 3.742 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccncc1 ZINC001190915764 917661862 /nfs/dbraw/zinc/66/18/62/917661862.db2.gz CFGMZPNUVRBSJO-GFCCVEGCSA-N -1 3 384.301 3.682 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](C)c3ccc(Br)cn3)cc(=O)oc12 ZINC000796497509 917842962 /nfs/dbraw/zinc/84/29/62/917842962.db2.gz AGXJODOASTXQJT-NSHDSACASA-N -1 3 389.249 3.815 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)OC)cc2F)cc1 ZINC001191252905 917848772 /nfs/dbraw/zinc/84/87/72/917848772.db2.gz JJHQKSBKPUHQJD-UHFFFAOYSA-N -1 3 383.416 3.895 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(Cl)ncc2F)c1 ZINC001191274044 917886518 /nfs/dbraw/zinc/88/65/18/917886518.db2.gz SABNUYUASFQPKF-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC12CCCC2 ZINC000652571117 917932778 /nfs/dbraw/zinc/93/27/78/917932778.db2.gz ILGZSWNTCDCHCP-FQEVSTJZSA-N -1 3 378.472 3.799 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2Cl)cc1 ZINC001191412292 917988758 /nfs/dbraw/zinc/98/87/58/917988758.db2.gz GDGUQTMYDZWZMD-UHFFFAOYSA-N -1 3 390.848 3.866 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(C)=O)cc1 ZINC001191455585 918025034 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COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)c1 ZINC000115877403 919476674 /nfs/dbraw/zinc/47/66/74/919476674.db2.gz LHJUAMBAZYLEJL-ZDUSSCGKSA-N -1 3 387.432 3.805 20 0 GHADHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C[C@@H]1c1ccccc1 ZINC000119358741 919621143 /nfs/dbraw/zinc/62/11/43/919621143.db2.gz UMEIMRRBTNWEJM-UXHICEINSA-N -1 3 392.499 3.649 20 0 GHADHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C[C@@H]1c1ccccc1 ZINC000119358985 919621387 /nfs/dbraw/zinc/62/13/87/919621387.db2.gz UMEIMRRBTNWEJM-WOJBJXKFSA-N -1 3 392.499 3.649 20 0 GHADHM O=C([N-]NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2ccccc2n1 ZINC000021007601 919680362 /nfs/dbraw/zinc/68/03/62/919680362.db2.gz RRMNXTGHGUKOMT-UHFFFAOYSA-N -1 3 384.439 3.670 20 0 GHADHM C[C@@H](C(=O)[O-])C1(NCc2cc(Br)ccc2Br)CC1 ZINC000900039831 919767130 /nfs/dbraw/zinc/76/71/30/919767130.db2.gz DFXJUQFSOXZHDB-QMMMGPOBSA-N -1 3 377.076 3.555 20 0 GHADHM O=C([O-])[C@@H](CNCc1csc(-c2ccc3c(c2)OCO3)n1)CC1CCCC1 ZINC000900083521 919821920 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GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(OCC2CCCCC2)CC1 ZINC000902198439 921975317 /nfs/dbraw/zinc/97/53/17/921975317.db2.gz WPZUDMCTXYLCSY-UHFFFAOYSA-N -1 3 377.529 3.536 20 0 GHADHM O=C([O-])/C=C\c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)o1 ZINC000902211357 921989724 /nfs/dbraw/zinc/98/97/24/921989724.db2.gz PYTPPRGAOZUAAI-FJVVXJACSA-N -1 3 397.406 3.946 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC000802322933 922020436 /nfs/dbraw/zinc/02/04/36/922020436.db2.gz DOMFBFUIQNEVQO-QFIPXVFZSA-N -1 3 388.508 3.818 20 0 GHADHM CC[C@H](OCCNCc1cn(-c2ccccc2)nc1C(=O)[O-])c1ccccc1 ZINC000902402186 922164069 /nfs/dbraw/zinc/16/40/69/922164069.db2.gz GUVSAULVZHQWCX-FQEVSTJZSA-N -1 3 379.460 3.828 20 0 GHADHM COc1ccc(C2(NCc3ccc(C(=O)[O-])c(Cl)c3)CCOCC2)cc1 ZINC000902409566 922169765 /nfs/dbraw/zinc/16/97/65/922169765.db2.gz GEGOXXHKGQENHQ-UHFFFAOYSA-N -1 3 375.852 3.842 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(O)(c2ccc(F)cc2)C1 ZINC000802621722 922264895 /nfs/dbraw/zinc/26/48/95/922264895.db2.gz MUKAVNAKRKATAY-UHFFFAOYSA-N -1 3 379.387 3.667 20 0 GHADHM Cc1cc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc(C)c1OCC(=O)[O-] ZINC000902550332 922272299 /nfs/dbraw/zinc/27/22/99/922272299.db2.gz YUHIKTRLMTUAEI-INIZCTEOSA-N -1 3 375.362 3.633 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl)C1CCOCC1 ZINC000902902456 922587105 /nfs/dbraw/zinc/58/71/05/922587105.db2.gz QUPGWQVJKSYKTQ-MRVPVSSYSA-N -1 3 386.748 3.777 20 0 GHADHM C[C@H]1COCC[C@@H]1C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902935748 922616779 /nfs/dbraw/zinc/61/67/79/922616779.db2.gz VPPVFDOQKUFVQI-DTWKUNHWSA-N -1 3 386.748 3.634 20 0 GHADHM COC1CCC([N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000902945090 922626923 /nfs/dbraw/zinc/62/69/23/922626923.db2.gz DBTHZWKOBZPOEY-UHFFFAOYSA-N -1 3 386.748 3.919 20 0 GHADHM O=c1cc(N2CC[C@@H](N[C@@H](c3ccc4ccccc4c3)C(F)(F)F)C2)nc[n-]1 ZINC000903400313 922991694 /nfs/dbraw/zinc/99/16/94/922991694.db2.gz SSMBPCQHSLECJB-APWZRJJASA-N -1 3 388.393 3.807 20 0 GHADHM CCc1ccccc1Oc1ccc(Cl)cc1CN(C)C[C@](C)(O)C(=O)[O-] ZINC000903606400 923122071 /nfs/dbraw/zinc/12/20/71/923122071.db2.gz AIIHWCWJYCXHGY-FQEVSTJZSA-N -1 3 377.868 3.962 20 0 GHADHM Cc1ccc(-c2noc(CCCN3CCc4cc(C(=O)[O-])ccc4C3)n2)cc1F ZINC000903618027 923129539 /nfs/dbraw/zinc/12/95/39/923129539.db2.gz BDWSTKRTVGRCIB-UHFFFAOYSA-N -1 3 395.434 3.873 20 0 GHADHM COc1cc(CN2CCc3ccccc3CC2)c(Br)cc1C(=O)[O-] ZINC000903891231 923373520 /nfs/dbraw/zinc/37/35/20/923373520.db2.gz MKHOQGQPJAGRTD-UHFFFAOYSA-N -1 3 390.277 3.757 20 0 GHADHM Cc1c(Br)cccc1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903940368 923415627 /nfs/dbraw/zinc/41/56/27/923415627.db2.gz CXZJQUDHIYINQY-RRQGHBQHSA-N -1 3 382.298 3.602 20 0 GHADHM O=C([O-])[C@@H]1CCN(CCOc2ccc(Cl)cc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC000903943229 923421427 /nfs/dbraw/zinc/42/14/27/923421427.db2.gz GXDMWCTUZWKDOZ-VMGRFDJRSA-N -1 3 388.291 3.716 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]([C@@H]2CCCO2)C1 ZINC000903944841 923425057 /nfs/dbraw/zinc/42/50/57/923425057.db2.gz SVBPTJQYYSEMJF-CCKFTAQKSA-N -1 3 390.867 3.839 20 0 GHADHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1csc(-c2ccccn2)n1 ZINC000748326421 923577732 /nfs/dbraw/zinc/57/77/32/923577732.db2.gz WKBNNBWCDRJEMZ-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Oc1ccccc1Cl ZINC000749108423 924025573 /nfs/dbraw/zinc/02/55/73/924025573.db2.gz IEBSCFFDYHRJPB-LLVKDONJSA-N -1 3 375.277 3.524 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)c(C)c1 ZINC000749155541 924053263 /nfs/dbraw/zinc/05/32/63/924053263.db2.gz VSEMYRXODSHJDV-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000749155599 924053409 /nfs/dbraw/zinc/05/34/09/924053409.db2.gz WQLPTMQBKZACRR-UHFFFAOYSA-N -1 3 378.450 3.763 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000371255899 924498311 /nfs/dbraw/zinc/49/83/11/924498311.db2.gz MUPACCMJQBRZFK-ZDUSSCGKSA-N -1 3 391.402 3.828 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C)cc1[O-] ZINC000679414292 925129956 /nfs/dbraw/zinc/12/99/56/925129956.db2.gz DBLDKNMRNJVYQA-FQEVSTJZSA-N -1 3 391.471 3.717 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCCc2ccccc2)c1 ZINC000680425598 925474524 /nfs/dbraw/zinc/47/45/24/925474524.db2.gz MHKCHUYBOADOHY-UHFFFAOYSA-N -1 3 393.443 3.694 20 0 GHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000680806902 925615720 /nfs/dbraw/zinc/61/57/20/925615720.db2.gz XTYWOJIGSQNIGZ-GHTZIAJQSA-N -1 3 391.471 3.959 20 0 GHADHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)CCO2 ZINC000681279859 925781341 /nfs/dbraw/zinc/78/13/41/925781341.db2.gz SXUOXBONWZYPEW-HNNXBMFYSA-N -1 3 385.844 3.680 20 0 GHADHM COC(=O)c1nc([N-]C(=O)c2scnc2C(F)(F)F)sc1C1CC1 ZINC000410769847 925829264 /nfs/dbraw/zinc/82/92/64/925829264.db2.gz ZKKGNWGEEONLLD-UHFFFAOYSA-N -1 3 377.369 3.535 20 0 GHADHM COc1ccccc1[C@@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)c1noc(C)n1 ZINC000373125097 925873233 /nfs/dbraw/zinc/87/32/33/925873233.db2.gz LYGSNVUZWPIGBP-QGZVFWFLSA-N -1 3 387.386 3.693 20 0 GHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)c([O-])c1 ZINC000682448249 926119819 /nfs/dbraw/zinc/11/98/19/926119819.db2.gz JOGMAKJWFJFLTB-UHFFFAOYSA-N -1 3 388.467 3.706 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000827914865 926266005 /nfs/dbraw/zinc/26/60/05/926266005.db2.gz IDCHNLBDAMIAAJ-SOLBZPMBSA-N -1 3 398.528 3.645 20 0 GHADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc(OC)c1[O-] ZINC000373702403 926349015 /nfs/dbraw/zinc/34/90/15/926349015.db2.gz OXUSUYVMGVHVBJ-NXEZZACHSA-N -1 3 398.278 3.519 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)cc1 ZINC000683071996 926351090 /nfs/dbraw/zinc/35/10/90/926351090.db2.gz RXPNRVBDSCLFLH-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM Cc1ccc(N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000725740737 926422795 /nfs/dbraw/zinc/42/27/95/926422795.db2.gz MKUVXIHLHSCBMK-UHFFFAOYSA-N -1 3 387.436 3.540 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C)c1c(Cl)cccc1Cl ZINC000726189531 926583070 /nfs/dbraw/zinc/58/30/70/926583070.db2.gz XBBRXWLUFGGSEH-QMMMGPOBSA-N -1 3 396.727 3.771 20 0 GHADHM C[C@H](C(=O)OC(C)(C)C)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000411901877 926899374 /nfs/dbraw/zinc/89/93/74/926899374.db2.gz FZTVDCLSKKSEEL-GFCCVEGCSA-N -1 3 383.448 3.776 20 0 GHADHM COc1ccc(N[C@@H]2CCC[C@H](c3cccnc3)C2)cc1[N-]S(C)(=O)=O ZINC000374316736 927014192 /nfs/dbraw/zinc/01/41/92/927014192.db2.gz PNLKNUZHCSUJTG-GOEBONIOSA-N -1 3 375.494 3.600 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC(C)(C)C[C@H]3C)nc(=O)c2c1C ZINC000412035578 927029857 /nfs/dbraw/zinc/02/98/57/927029857.db2.gz GBEXQGJNWZPERN-ZYHUDNBSSA-N -1 3 377.510 3.651 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000412227365 927229596 /nfs/dbraw/zinc/22/95/96/927229596.db2.gz DKCZKSRMRYVIOF-WMZOPIPTSA-N -1 3 377.799 3.647 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000749795536 927273352 /nfs/dbraw/zinc/27/33/52/927273352.db2.gz MEKAVCFRTDXABL-JKSUJKDBSA-N -1 3 394.446 3.835 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1cccnc1SCC1CCCCC1 ZINC000412348387 927364273 /nfs/dbraw/zinc/36/42/73/927364273.db2.gz QSNNWHFZMYKLJY-UHFFFAOYSA-N -1 3 395.326 3.914 20 0 GHADHM O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1ccc([O-])cc1 ZINC000749982739 927382069 /nfs/dbraw/zinc/38/20/69/927382069.db2.gz ABFFRHRDNFJAJT-UHFFFAOYSA-N -1 3 385.217 3.969 20 0 GHADHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000750218365 927494854 /nfs/dbraw/zinc/49/48/54/927494854.db2.gz UFGIALXBCCHGAJ-SECBINFHSA-N -1 3 394.301 3.638 20 0 GHADHM CC(C)n1cc(C(=O)[N-]c2nnc(Cc3ccc(C(F)(F)F)cc3)s2)nn1 ZINC000412600378 927620502 /nfs/dbraw/zinc/62/05/02/927620502.db2.gz KNMNMKGUZYTFBF-UHFFFAOYSA-N -1 3 396.398 3.572 20 0 GHADHM CCc1nnc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)s1 ZINC000750807512 927866563 /nfs/dbraw/zinc/86/65/63/927866563.db2.gz FWVCTUDFEKTWNF-UHFFFAOYSA-N -1 3 393.266 3.610 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc(Cc4ccccc4C)no3)n[n-]2)o1 ZINC000750884590 927919368 /nfs/dbraw/zinc/91/93/68/927919368.db2.gz XXJVDLGCUUVLJZ-UHFFFAOYSA-N -1 3 378.388 3.617 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc(Cc4ccccc4C)no3)[n-]n2)o1 ZINC000750884590 927919390 /nfs/dbraw/zinc/91/93/90/927919390.db2.gz XXJVDLGCUUVLJZ-UHFFFAOYSA-N -1 3 378.388 3.617 20 0 GHADHM CCCCCCOC(=O)c1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000751050397 928002240 /nfs/dbraw/zinc/00/22/40/928002240.db2.gz LNYKMPLAWXNWMN-UHFFFAOYSA-N -1 3 385.464 3.717 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C(C)C)sc1Br ZINC000751245347 928090741 /nfs/dbraw/zinc/09/07/41/928090741.db2.gz FBHVTZWVOOVXCO-CYBMUJFWSA-N -1 3 389.340 3.890 20 0 GHADHM CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413004076 928094154 /nfs/dbraw/zinc/09/41/54/928094154.db2.gz WAKLGNGZGGENDC-UHFFFAOYSA-N -1 3 397.504 3.851 20 0 GHADHM CCCN(CC1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000751355386 928151409 /nfs/dbraw/zinc/15/14/09/928151409.db2.gz DWPYMEDPUVMBLN-UHFFFAOYSA-N -1 3 396.528 3.699 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)c1[O-] ZINC000751373354 928161711 /nfs/dbraw/zinc/16/17/11/928161711.db2.gz PTKSHQGJECFZSK-UHFFFAOYSA-N -1 3 380.366 3.728 20 0 GHADHM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(N)cc1[O-] ZINC000751436133 928191746 /nfs/dbraw/zinc/19/17/46/928191746.db2.gz FHJLIZDUONMSLJ-UHFFFAOYSA-N -1 3 396.274 3.772 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C)c(F)cc3N)nc(=O)c2c1C ZINC000751630452 928285623 /nfs/dbraw/zinc/28/56/23/928285623.db2.gz KICSPTPQGIDTLY-SECBINFHSA-N -1 3 375.425 3.961 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)c(=O)[n-]1 ZINC000751672356 928314468 /nfs/dbraw/zinc/31/44/68/928314468.db2.gz QKBVHGSFBSSJQU-LLVKDONJSA-N -1 3 387.823 3.954 20 0 GHADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCC2CCCC2)c1Cl ZINC000751687978 928324789 /nfs/dbraw/zinc/32/47/89/928324789.db2.gz XIUPJDQAQFDOBE-UHFFFAOYSA-N -1 3 380.293 3.639 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CN(C)C)c(Br)c1 ZINC000466961217 928544134 /nfs/dbraw/zinc/54/41/34/928544134.db2.gz HOPLUMMDKAPWHA-UHFFFAOYSA-N -1 3 383.311 3.620 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)C[C@H](O)c1cccs1 ZINC000752022727 928556272 /nfs/dbraw/zinc/55/62/72/928556272.db2.gz DNOKJGLVDCTXHU-HZMBPMFUSA-N -1 3 383.466 3.732 20 0 GHADHM CCOc1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000544049655 928734595 /nfs/dbraw/zinc/73/45/95/928734595.db2.gz OJVZEYJLPZWBNV-UHFFFAOYSA-N -1 3 379.445 3.607 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C=CCCC3)c2)cc1 ZINC000467274250 928902862 /nfs/dbraw/zinc/90/28/62/928902862.db2.gz FSTNGJLYLBGTTF-KRWDZBQOSA-N -1 3 384.501 3.943 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)c3ccccc3n2)cc1 ZINC000752784911 929021304 /nfs/dbraw/zinc/02/13/04/929021304.db2.gz SHAYLYNLSDAFDK-UHFFFAOYSA-N -1 3 396.450 3.904 20 0 GHADHM C[C@H](c1ccco1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000544386742 929117624 /nfs/dbraw/zinc/11/76/24/929117624.db2.gz UCEDWYDKIQOLQL-SNVBAGLBSA-N -1 3 375.222 3.717 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)cc1C ZINC000753015253 929157929 /nfs/dbraw/zinc/15/79/29/929157929.db2.gz KDXRGRFGUCFRTP-OAQYLSRUSA-N -1 3 398.484 3.590 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-]CC(=O)Nc1ccc(Cl)cc1 ZINC000753109820 929209965 /nfs/dbraw/zinc/20/99/65/929209965.db2.gz AFIWMSAEVJEBAM-UHFFFAOYSA-N -1 3 382.794 3.585 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000467793922 929427241 /nfs/dbraw/zinc/42/72/41/929427241.db2.gz YMXSFBQOEHILLU-AEFFLSMTSA-N -1 3 383.872 3.986 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1nc2c(s1)CCCC2 ZINC000469204570 929684793 /nfs/dbraw/zinc/68/47/93/929684793.db2.gz KDGGMZQNSKOMQA-UHFFFAOYSA-N -1 3 376.497 3.938 20 0 GHADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nc(-c2ccncc2)no1 ZINC000469237612 929721176 /nfs/dbraw/zinc/72/11/76/929721176.db2.gz QKMZJVHGEFEVHS-IBGZPJMESA-N -1 3 398.438 3.813 20 0 GHADHM COCCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc(OC)c(OC)c1 ZINC000469372555 929828876 /nfs/dbraw/zinc/82/88/76/929828876.db2.gz BVXGABLQGLYXGQ-UHFFFAOYSA-N -1 3 391.439 3.551 20 0 GHADHM Cc1nc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2F)no1 ZINC000469388620 929839623 /nfs/dbraw/zinc/83/96/23/929839623.db2.gz NEKCOINNVHFVOK-LJQANCHMSA-N -1 3 387.386 3.590 20 0 GHADHM COc1cc(Br)ccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469643720 930052046 /nfs/dbraw/zinc/05/20/46/930052046.db2.gz SIQQAOORJGTEAZ-UHFFFAOYSA-N -1 3 396.256 3.942 20 0 GHADHM Cc1noc(C[C@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)n1 ZINC000758827629 930183463 /nfs/dbraw/zinc/18/34/63/930183463.db2.gz GGCDLDTTZAYRKE-INIZCTEOSA-N -1 3 375.350 3.709 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000469822458 930184719 /nfs/dbraw/zinc/18/47/19/930184719.db2.gz QYYXLVCQCVXDNJ-YLJYHZDGSA-N -1 3 379.378 3.779 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccccc1Cn1ccnc1 ZINC000759484513 930382741 /nfs/dbraw/zinc/38/27/41/930382741.db2.gz MAYLZVGNGPMQHY-UHFFFAOYSA-N -1 3 396.516 3.723 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC3CC3)CC3CC3)cs2)c1 ZINC000546917739 930529903 /nfs/dbraw/zinc/52/99/03/930529903.db2.gz DLNICWKLVZGZJZ-UHFFFAOYSA-N -1 3 399.516 3.601 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cc(F)cc(F)c2)no1 ZINC000546990780 930592318 /nfs/dbraw/zinc/59/23/18/930592318.db2.gz DKFPXAYBAXSPKF-VIFPVBQESA-N -1 3 399.806 3.708 20 0 GHADHM O=C(NC(C1CCCC1)C1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000780944502 930647310 /nfs/dbraw/zinc/64/73/10/930647310.db2.gz BSOBHWSAQBIAAV-LJQANCHMSA-N -1 3 384.520 3.862 20 0 GHADHM COc1cc(CC(=O)[N-]OCc2ccc(F)cc2Br)ccc1C ZINC000781121969 930708164 /nfs/dbraw/zinc/70/81/64/930708164.db2.gz NXRVJIASVNPZAO-UHFFFAOYSA-N -1 3 382.229 3.696 20 0 GHADHM Cc1cc(=O)[n-]c(CSCCCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000782946781 931372885 /nfs/dbraw/zinc/37/28/85/931372885.db2.gz FARPDWNXJJTQFA-UHFFFAOYSA-N -1 3 385.489 3.580 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000783039633 931392567 /nfs/dbraw/zinc/39/25/67/931392567.db2.gz MAPIBLSFQYPPEH-UHFFFAOYSA-N -1 3 396.790 3.638 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Br)c(F)c1 ZINC000783239923 931471120 /nfs/dbraw/zinc/47/11/20/931471120.db2.gz LSCCGLMMSKJACY-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n(-c2cccc(Cl)c2)n1 ZINC000783678697 931615079 /nfs/dbraw/zinc/61/50/79/931615079.db2.gz KEQGSIPSUKTPBG-BOPFTXTBSA-N -1 3 378.819 3.557 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccnc1C(F)(F)F ZINC000557847823 931719822 /nfs/dbraw/zinc/71/98/22/931719822.db2.gz WTHVVRBNUZFHFK-GJZGRUSLSA-N -1 3 384.423 3.790 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000557870192 931730904 /nfs/dbraw/zinc/73/09/04/931730904.db2.gz FSRVMJPZVYFUKX-CYBMUJFWSA-N -1 3 378.252 3.535 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784038502 931763943 /nfs/dbraw/zinc/76/39/43/931763943.db2.gz JXPPRPMRRVIHPF-UHFFFAOYSA-N -1 3 377.356 3.763 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc(OC(F)(F)F)c1 ZINC000784169874 931803151 /nfs/dbraw/zinc/80/31/51/931803151.db2.gz GMCWXTFHWDLWAA-UHFFFAOYSA-N -1 3 380.278 3.698 20 0 GHADHM Cc1cc(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc(C)c1Cl ZINC000784199830 931813611 /nfs/dbraw/zinc/81/36/11/931813611.db2.gz MVUHTAPCPAESSV-UHFFFAOYSA-N -1 3 388.807 3.835 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc([C@H]2CCCOC2)c1 ZINC000784467240 931905247 /nfs/dbraw/zinc/90/52/47/931905247.db2.gz YWVUXPGPBDEHOW-INIZCTEOSA-N -1 3 380.400 3.693 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)nn1C1CCCCC1 ZINC000784568858 931942021 /nfs/dbraw/zinc/94/20/21/931942021.db2.gz XXCFBCHOHJLQQC-UHFFFAOYSA-N -1 3 382.420 3.809 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(OCC(F)(F)F)nc1 ZINC000784892073 932019418 /nfs/dbraw/zinc/01/94/18/932019418.db2.gz CYKLIXBJBOREBI-UHFFFAOYSA-N -1 3 387.329 3.934 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000784894913 932020874 /nfs/dbraw/zinc/02/08/74/932020874.db2.gz WELPZUKMFDPMOI-UHFFFAOYSA-N -1 3 389.814 3.832 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC2(c3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000796866546 932092970 /nfs/dbraw/zinc/09/29/70/932092970.db2.gz RMDSLHMTCZYXQE-UHFFFAOYSA-N -1 3 399.390 3.923 20 0 GHADHM CS[C@@H](C)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000797204018 932222131 /nfs/dbraw/zinc/22/21/31/932222131.db2.gz KNTVPMUVOLBDDR-STQMWFEESA-N -1 3 397.493 3.923 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc2ccc(Cl)nc2cc1F ZINC000797456744 932290787 /nfs/dbraw/zinc/29/07/87/932290787.db2.gz INYSRVNHMDBIAL-VIFPVBQESA-N -1 3 378.803 3.741 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Cl)nc1Cl ZINC000797840903 932427195 /nfs/dbraw/zinc/42/71/95/932427195.db2.gz SATYOJSQUFINGE-UMSPYCQHSA-N -1 3 375.252 3.752 20 0 GHADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000777623058 932567958 /nfs/dbraw/zinc/56/79/58/932567958.db2.gz XNPOKQHVOMCWCY-UHFFFAOYSA-N -1 3 398.434 3.877 20 0 GHADHM Cc1sc2nc(C)nc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)c2c1C ZINC000798403369 932633373 /nfs/dbraw/zinc/63/33/73/932633373.db2.gz XJTOSRDVALURIC-UHFFFAOYSA-N -1 3 386.443 3.511 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(F)cc1C ZINC000559962608 932982631 /nfs/dbraw/zinc/98/26/31/932982631.db2.gz YMBPCBUJAXKANF-UHFFFAOYSA-N -1 3 395.452 3.737 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cnc(-c3ccc(Cl)cc3)s2)s1 ZINC000560016962 933020711 /nfs/dbraw/zinc/02/07/11/933020711.db2.gz SUQGNDLKCZIXSB-UHFFFAOYSA-N -1 3 399.950 3.961 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000929078123 933231559 /nfs/dbraw/zinc/23/15/59/933231559.db2.gz RHWNIUAAKDBDRK-UHFFFAOYSA-N -1 3 387.361 3.795 20 0 GHADHM CCc1ccc(-c2nc(C(=O)[N-]c3ncn(Cc4cccnc4)n3)cs2)cc1 ZINC001115924285 933246278 /nfs/dbraw/zinc/24/62/78/933246278.db2.gz RKLMBRNMVZKVLO-UHFFFAOYSA-N -1 3 390.472 3.660 20 0 GHADHM CC/C(=C/C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccc(C)cc1 ZINC001116241506 933429696 /nfs/dbraw/zinc/42/96/96/933429696.db2.gz YXLIEEYAIJNNGN-QINSGFPZSA-N -1 3 390.480 3.615 20 0 GHADHM O=C(Nc1nnc(C2CCCCC2)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000930420624 934037849 /nfs/dbraw/zinc/03/78/49/934037849.db2.gz DEDSKTICHAKCKV-UHFFFAOYSA-N -1 3 390.415 3.958 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1[O-] ZINC001118280416 934125704 /nfs/dbraw/zinc/12/57/04/934125704.db2.gz LOYNMLYIHOZMHM-GJZGRUSLSA-N -1 3 376.453 3.617 20 0 GHADHM CCNC(=O)Nc1cc(F)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001149080402 934143883 /nfs/dbraw/zinc/14/38/83/934143883.db2.gz QOLAKQVSITYZQF-UHFFFAOYSA-N -1 3 377.391 3.773 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCN(C4CCC4)C[C@@H](C)C3)n2)cc1 ZINC000561535246 934248758 /nfs/dbraw/zinc/24/87/58/934248758.db2.gz VQHWPMATYMRYPW-QGZVFWFLSA-N -1 3 396.535 3.648 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1C ZINC001118954879 934291952 /nfs/dbraw/zinc/29/19/52/934291952.db2.gz VBQCKLRRSVHENK-UHFFFAOYSA-N -1 3 376.478 3.567 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)n1 ZINC001119048379 934304483 /nfs/dbraw/zinc/30/44/83/934304483.db2.gz XZQTYWZORUAXPH-UHFFFAOYSA-N -1 3 394.353 3.536 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1nc(-c3cccc(C(F)(F)F)c3)no1)C2 ZINC000931320932 934502409 /nfs/dbraw/zinc/50/24/09/934502409.db2.gz MOYMYGJIYYGDAD-VIFPVBQESA-N -1 3 391.353 3.636 20 0 GHADHM CSCC1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)CC1 ZINC001121247678 934601808 /nfs/dbraw/zinc/60/18/08/934601808.db2.gz PIBOIKRNXCASHY-UHFFFAOYSA-N -1 3 380.945 3.539 20 0 GHADHM CCC[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001122079701 934816748 /nfs/dbraw/zinc/81/67/48/934816748.db2.gz QRGXERAOHBOFJA-KRWDZBQOSA-N -1 3 378.480 3.566 20 0 GHADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000778061115 934826557 /nfs/dbraw/zinc/82/65/57/934826557.db2.gz SBFKIRAEQBDZCH-BXUZGUMPSA-N -1 3 381.325 3.651 20 0 GHADHM CON(C)c1nnc(CCc2cccc(Cl)c2[O-])n1Cc1cccs1 ZINC001122907193 935024749 /nfs/dbraw/zinc/02/47/49/935024749.db2.gz GEFXNDIVBMBNJY-UHFFFAOYSA-N -1 3 378.885 3.530 20 0 GHADHM CN(C(=O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCCCC1 ZINC001137544383 935573542 /nfs/dbraw/zinc/57/35/42/935573542.db2.gz ASQNSIUNWDRHRR-UHFFFAOYSA-N -1 3 382.460 3.705 20 0 GHADHM CCCO[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1C ZINC000828210397 935593321 /nfs/dbraw/zinc/59/33/21/935593321.db2.gz RIFSJXUWCGATEL-LJQANCHMSA-N -1 3 387.455 3.681 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000828210710 935593613 /nfs/dbraw/zinc/59/36/13/935593613.db2.gz ZWTGLYKKXCXFGM-UHFFFAOYSA-N -1 3 397.809 3.520 20 0 GHADHM CN1C(=O)CS/C1=C\C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001137670106 935692967 /nfs/dbraw/zinc/69/29/67/935692967.db2.gz XYQWHQREFYKONY-NVMNQCDNSA-N -1 3 397.481 3.654 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c1 ZINC000829120196 935770156 /nfs/dbraw/zinc/77/01/56/935770156.db2.gz QQTDFIVMLVWAJZ-ZFWWWQNUSA-N -1 3 397.475 3.839 20 0 GHADHM CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001137937889 935880429 /nfs/dbraw/zinc/88/04/29/935880429.db2.gz MYXZXSGRYRTXAT-OAHLLOKOSA-N -1 3 394.468 3.591 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001138017194 935929831 /nfs/dbraw/zinc/92/98/31/935929831.db2.gz AWIJWAXWIGVDBF-ZDUSSCGKSA-N -1 3 399.285 3.787 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001573550520 946863541 /nfs/dbraw/zinc/86/35/41/946863541.db2.gz AJKMNAPDFPBCLI-QGZVFWFLSA-N -1 3 377.448 3.838 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001573550520 946863553 /nfs/dbraw/zinc/86/35/53/946863553.db2.gz AJKMNAPDFPBCLI-QGZVFWFLSA-N -1 3 377.448 3.838 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001573550541 946866063 /nfs/dbraw/zinc/86/60/63/946866063.db2.gz AZMGAKVVKNOMOQ-YPMHNXCESA-N -1 3 395.385 3.767 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001573550541 946866080 /nfs/dbraw/zinc/86/60/80/946866080.db2.gz AZMGAKVVKNOMOQ-YPMHNXCESA-N -1 3 395.385 3.767 20 0 GHADHM CC(=O)c1cc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)ccc1C ZINC001573553669 946892091 /nfs/dbraw/zinc/89/20/91/946892091.db2.gz IPHIRFPXPQILDT-UHFFFAOYSA-N -1 3 389.459 3.828 20 0 GHADHM CC(=O)c1cc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)ccc1C ZINC001573553669 946892103 /nfs/dbraw/zinc/89/21/03/946892103.db2.gz IPHIRFPXPQILDT-UHFFFAOYSA-N -1 3 389.459 3.828 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC001573361592 947691936 /nfs/dbraw/zinc/69/19/36/947691936.db2.gz BXFGSFGFZLQIES-JXMROGBWSA-N -1 3 393.394 3.667 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc12 ZINC001573363133 947707544 /nfs/dbraw/zinc/70/75/44/947707544.db2.gz BGVWFQOQESMBTJ-XFFZJAGNSA-N -1 3 393.838 3.747 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc12 ZINC001573363133 947707554 /nfs/dbraw/zinc/70/75/54/947707554.db2.gz BGVWFQOQESMBTJ-XFFZJAGNSA-N -1 3 393.838 3.747 20 0 GHADHM C[C@H](C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC001573655771 947981161 /nfs/dbraw/zinc/98/11/61/947981161.db2.gz YTQJWIPYXOFIPU-AWEZNQCLSA-N -1 3 389.459 3.854 20 0 GHADHM C[C@H](C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC001573655771 947981167 /nfs/dbraw/zinc/98/11/67/947981167.db2.gz YTQJWIPYXOFIPU-AWEZNQCLSA-N -1 3 389.459 3.854 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC001460787446 948526340 /nfs/dbraw/zinc/52/63/40/948526340.db2.gz QOGBLHLCTBSPBK-GOSISDBHSA-N -1 3 381.411 3.645 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC001460787446 948526345 /nfs/dbraw/zinc/52/63/45/948526345.db2.gz QOGBLHLCTBSPBK-GOSISDBHSA-N -1 3 381.411 3.645 20 0 GHADHM CC(C)c1cccc(NC(=O)COc2nc(C(C)(C)C)ccc2-c2nnn[n-]2)c1 ZINC001574420225 948796406 /nfs/dbraw/zinc/79/64/06/948796406.db2.gz RDSXDTFLPFNJRS-UHFFFAOYSA-N -1 3 394.479 3.700 20 0 GHADHM CC(C)c1cccc(NC(=O)COc2nc(C(C)(C)C)ccc2-c2nn[n-]n2)c1 ZINC001574420225 948796413 /nfs/dbraw/zinc/79/64/13/948796413.db2.gz RDSXDTFLPFNJRS-UHFFFAOYSA-N -1 3 394.479 3.700 20 0 GHADHM CC(C)c1cccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574420542 948800951 /nfs/dbraw/zinc/80/09/51/948800951.db2.gz XMNBOZFTLGHVLQ-UHFFFAOYSA-N -1 3 379.464 3.811 20 0 GHADHM CC(C)c1cccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574420542 948800977 /nfs/dbraw/zinc/80/09/77/948800977.db2.gz XMNBOZFTLGHVLQ-UHFFFAOYSA-N -1 3 379.464 3.811 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001574083383 948882824 /nfs/dbraw/zinc/88/28/24/948882824.db2.gz RMNBBWRPPFOZBZ-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001574083383 948882844 /nfs/dbraw/zinc/88/28/44/948882844.db2.gz RMNBBWRPPFOZBZ-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001574083808 948891077 /nfs/dbraw/zinc/89/10/77/948891077.db2.gz YCVARRWKNIJULY-INIZCTEOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001574083808 948891094 /nfs/dbraw/zinc/89/10/94/948891094.db2.gz YCVARRWKNIJULY-INIZCTEOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)cc2s1 ZINC001574427836 948915703 /nfs/dbraw/zinc/91/57/03/948915703.db2.gz RJEPKXJCJNHKSW-UHFFFAOYSA-N -1 3 399.867 3.901 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)cc2s1 ZINC001574427836 948915715 /nfs/dbraw/zinc/91/57/15/948915715.db2.gz RJEPKXJCJNHKSW-UHFFFAOYSA-N -1 3 399.867 3.901 20 0 GHADHM CC(C)C1(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001574088905 948937633 /nfs/dbraw/zinc/93/76/33/948937633.db2.gz HEVZECQUODHKQI-UHFFFAOYSA-N -1 3 376.464 3.776 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001575501799 949011289 /nfs/dbraw/zinc/01/12/89/949011289.db2.gz FUIWCKZECUJKPO-UYHISHBKSA-N -1 3 381.867 3.843 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001575501799 949011307 /nfs/dbraw/zinc/01/13/07/949011307.db2.gz FUIWCKZECUJKPO-UYHISHBKSA-N -1 3 381.867 3.843 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccccc1OC(F)(F)F ZINC001575511585 949127395 /nfs/dbraw/zinc/12/73/95/949127395.db2.gz KGAIBTWXLPMINL-NSHDSACASA-N -1 3 391.353 3.599 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccccc1OC(F)(F)F ZINC001575511585 949127409 /nfs/dbraw/zinc/12/74/09/949127409.db2.gz KGAIBTWXLPMINL-NSHDSACASA-N -1 3 391.353 3.599 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC001574098484 949160136 /nfs/dbraw/zinc/16/01/36/949160136.db2.gz AWNPSVWJBGYZHJ-JQWIXIFHSA-N -1 3 377.539 3.523 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC001574098484 949160148 /nfs/dbraw/zinc/16/01/48/949160148.db2.gz AWNPSVWJBGYZHJ-JQWIXIFHSA-N -1 3 377.539 3.523 20 0 GHADHM O=C([O-])c1ccc(CN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)s1 ZINC001595230575 949343350 /nfs/dbraw/zinc/34/33/50/949343350.db2.gz KNFXBPJDYJRNBM-ZDUSSCGKSA-N -1 3 375.368 3.558 20 0 GHADHM O=C([O-])c1ccccc1C1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001595250819 949557141 /nfs/dbraw/zinc/55/71/41/949557141.db2.gz YLSIIFMRXCQGSE-SFHVURJKSA-N -1 3 386.492 3.718 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573825915 949895757 /nfs/dbraw/zinc/89/57/57/949895757.db2.gz CJTJZEASBNGQOU-OLZOCXBDSA-N -1 3 376.530 3.722 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573826723 949910638 /nfs/dbraw/zinc/91/06/38/949910638.db2.gz IQUIMVPSJPWRGU-KSSFIOAISA-N -1 3 398.511 3.707 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573826723 949910652 /nfs/dbraw/zinc/91/06/52/949910652.db2.gz IQUIMVPSJPWRGU-KSSFIOAISA-N -1 3 398.511 3.707 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](C)c2ccccc21 ZINC001576181940 950029098 /nfs/dbraw/zinc/02/90/98/950029098.db2.gz WTGKOVVRSLVOEY-MGPUTAFESA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](C)c2ccccc21 ZINC001576181940 950029120 /nfs/dbraw/zinc/02/91/20/950029120.db2.gz WTGKOVVRSLVOEY-MGPUTAFESA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@@H]2C[C@@H]2C)C1 ZINC001574167641 950490484 /nfs/dbraw/zinc/49/04/84/950490484.db2.gz GTEKZDXASHQXEH-RLFYNMQTSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@@H]2C[C@@H]2C)C1 ZINC001574167641 950490501 /nfs/dbraw/zinc/49/05/01/950490501.db2.gz GTEKZDXASHQXEH-RLFYNMQTSA-N -1 3 392.511 3.579 20 0 GHADHM C[C@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccco1 ZINC001574519264 950672195 /nfs/dbraw/zinc/67/21/95/950672195.db2.gz DIIPIVDWGCUEAQ-GFCCVEGCSA-N -1 3 394.460 3.639 20 0 GHADHM C[C@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccco1 ZINC001574519264 950672208 /nfs/dbraw/zinc/67/22/08/950672208.db2.gz DIIPIVDWGCUEAQ-GFCCVEGCSA-N -1 3 394.460 3.639 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC001573881935 950757577 /nfs/dbraw/zinc/75/75/77/950757577.db2.gz KIBWPGUGUOLRQK-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC001573881935 950757585 /nfs/dbraw/zinc/75/75/85/950757585.db2.gz KIBWPGUGUOLRQK-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)(C)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Br)s1 ZINC001573881920 950758796 /nfs/dbraw/zinc/75/87/96/950758796.db2.gz JOQKBVNYSQQHCS-UHFFFAOYSA-N -1 3 393.314 3.995 20 0 GHADHM CC(C)(C)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Br)s1 ZINC001573881920 950758812 /nfs/dbraw/zinc/75/88/12/950758812.db2.gz JOQKBVNYSQQHCS-UHFFFAOYSA-N -1 3 393.314 3.995 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCc4sccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576218297 950783792 /nfs/dbraw/zinc/78/37/92/950783792.db2.gz QDOGMKCYPSGIAJ-SMDDNHRTSA-N -1 3 394.504 3.507 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCc4sccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576218297 950783808 /nfs/dbraw/zinc/78/38/08/950783808.db2.gz QDOGMKCYPSGIAJ-SMDDNHRTSA-N -1 3 394.504 3.507 20 0 GHADHM CC(C)CCC1CCN(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001574185011 950795156 /nfs/dbraw/zinc/79/51/56/950795156.db2.gz RCKZIXBKINOXDS-UHFFFAOYSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)CCC1CCN(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001574185011 950795168 /nfs/dbraw/zinc/79/51/68/950795168.db2.gz RCKZIXBKINOXDS-UHFFFAOYSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000380397250 971695197 /nfs/dbraw/zinc/69/51/97/971695197.db2.gz CIQVSKYGIIDDLM-ZDUSSCGKSA-N -1 3 387.261 3.614 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCOC(C)(C)C2)c1-c1nnn[n-]1 ZINC001575638868 950853748 /nfs/dbraw/zinc/85/37/48/950853748.db2.gz KVOOLXXNWITZIT-NSHDSACASA-N -1 3 392.529 3.552 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCOC(C)(C)C2)c1-c1nn[n-]n1 ZINC001575638868 950853770 /nfs/dbraw/zinc/85/37/70/950853770.db2.gz KVOOLXXNWITZIT-NSHDSACASA-N -1 3 392.529 3.552 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1csc2ccccc12 ZINC001575185323 952431343 /nfs/dbraw/zinc/43/13/43/952431343.db2.gz PJFNJWLZRRMRHR-AWEZNQCLSA-N -1 3 391.500 3.919 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1csc2ccccc12 ZINC001575185323 952431349 /nfs/dbraw/zinc/43/13/49/952431349.db2.gz PJFNJWLZRRMRHR-AWEZNQCLSA-N -1 3 391.500 3.919 20 0 GHADHM CC[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589552689 955227517 /nfs/dbraw/zinc/22/75/17/955227517.db2.gz SONPGLYUMHRDSS-DOTOQJQBSA-N -1 3 390.455 3.667 20 0 GHADHM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1nc(-c3cccc(Cl)c3Cl)cs1)C2 ZINC001550174989 958288801 /nfs/dbraw/zinc/28/88/01/958288801.db2.gz KCIGGLSKIWRVCP-BTDLBPIBSA-N -1 3 399.299 3.650 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc([N+](=O)[O-])c1Br ZINC000391634606 972351985 /nfs/dbraw/zinc/35/19/85/972351985.db2.gz NRQKLJFEIQTGEF-JKOKRWQUSA-N -1 3 383.242 3.575 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cnc(-c3ccco3)s2)C[C@H]1c1ccc(F)cc1F ZINC001334024605 961746692 /nfs/dbraw/zinc/74/66/92/961746692.db2.gz CDDJYNGOIOMKIA-LSDHHAIUSA-N -1 3 390.411 3.982 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCN(Cc2ccccc2)C1 ZINC001347510878 962388762 /nfs/dbraw/zinc/38/87/62/962388762.db2.gz UEVZTYGONAVBEA-FBHSLPMESA-N -1 3 398.547 3.829 20 0 GHADHM C[C@H]1CCCN(Cc2cc(OC(F)F)ccc2Br)[C@H]1C(=O)[O-] ZINC001603414947 973103143 /nfs/dbraw/zinc/10/31/43/973103143.db2.gz PMNXNXRJVKPLJH-TVQRCGJNSA-N -1 3 378.213 3.736 20 0 GHADHM COC[C@H](NCCOc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC001604516583 973460693 /nfs/dbraw/zinc/46/06/93/973460693.db2.gz VHHJKSFUYRHTLM-INIZCTEOSA-N -1 3 394.265 3.503 20 0 GHADHM COC(=O)c1cccc([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)c1OC(C)C ZINC001625791319 1014168586 /nfs/dbraw/zinc/16/85/86/1014168586.db2.gz NJDMMJGOTHGIAE-UHFFFAOYSA-N -1 3 399.378 3.702 20 0 GHADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000565310295 974579350 /nfs/dbraw/zinc/57/93/50/974579350.db2.gz UHLHVJZOGCNSLC-MJGOQNOKSA-N -1 3 375.852 3.615 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604067402 974602516 /nfs/dbraw/zinc/60/25/16/974602516.db2.gz JQDCHZOJLYGWTF-UHFFFAOYSA-N -1 3 375.856 3.634 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001592268979 977526679 /nfs/dbraw/zinc/52/66/79/977526679.db2.gz OUXKXCDBIFKTHZ-YVEFUNNKSA-N -1 3 388.851 3.869 20 0 GHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN[C@H](CC(F)F)C(=O)[O-] ZINC000841807150 979314084 /nfs/dbraw/zinc/31/40/84/979314084.db2.gz MNEDJDQNXBKGAZ-CQSZACIVSA-N -1 3 385.842 3.906 20 0 GHADHM O=C([O-])c1csc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000901430383 980278910 /nfs/dbraw/zinc/27/89/10/980278910.db2.gz XENVLWZGYNOUAF-ZDUSSCGKSA-N -1 3 391.468 3.619 20 0 GHADHM C[C@@H](CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1cccc(Br)c1 ZINC000901788738 980519874 /nfs/dbraw/zinc/51/98/74/980519874.db2.gz VDSTYDPATCWBLA-HZMBPMFUSA-N -1 3 380.204 3.892 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000903907112 981032004 /nfs/dbraw/zinc/03/20/04/981032004.db2.gz REJKJYHFARMXGT-WMLDXEAASA-N -1 3 382.298 3.928 20 0 GHADHM Cc1cc(Br)ccc1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903940895 981061010 /nfs/dbraw/zinc/06/10/10/981061010.db2.gz KOOYKVIJKOTORF-RRQGHBQHSA-N -1 3 382.298 3.602 20 0 GHADHM CCCCC[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001595683476 982172306 /nfs/dbraw/zinc/17/23/06/982172306.db2.gz TUAXLBGHNXGCDD-GFCCVEGCSA-N -1 3 379.213 3.553 20 0 GHADHM CCCCNC(=O)[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001595755700 982448001 /nfs/dbraw/zinc/44/80/01/982448001.db2.gz BMPRRNGBRSDKGY-LRDDRELGSA-N -1 3 387.307 3.747 20 0 GHADHM CCCN(C)[C@H](CNC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001595836917 982745752 /nfs/dbraw/zinc/74/57/52/982745752.db2.gz QHWZPBHGTDTMCV-GFOMBABLSA-N -1 3 390.867 3.844 20 0 GHADHM CCCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001595860524 982795582 /nfs/dbraw/zinc/79/55/82/982795582.db2.gz OKDMTGRBSOTIIL-XMCHAPAWSA-N -1 3 384.476 3.574 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccco1 ZINC001594995269 982891439 /nfs/dbraw/zinc/89/14/39/982891439.db2.gz VJWWFUNYAHSHPI-GUYCJALGSA-N -1 3 396.447 3.777 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccco1 ZINC001594995265 982891517 /nfs/dbraw/zinc/89/15/17/982891517.db2.gz VJWWFUNYAHSHPI-CXAGYDPISA-N -1 3 396.447 3.777 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccco1 ZINC001594995515 982896999 /nfs/dbraw/zinc/89/69/99/982896999.db2.gz ZOOFNFFUUOKDQN-MEBBXXQBSA-N -1 3 381.379 3.507 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001545686932 1015046859 /nfs/dbraw/zinc/04/68/59/1015046859.db2.gz XHQYCFQDGNGASG-LBPRGKRZSA-N -1 3 392.249 3.635 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000467996330 1015117727 /nfs/dbraw/zinc/11/77/27/1015117727.db2.gz VCBVKGRDXKVKES-NWDGAFQWSA-N -1 3 379.334 3.728 20 0 GHADHM CCO[C@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1(CC)CC ZINC001596832901 985466384 /nfs/dbraw/zinc/46/63/84/985466384.db2.gz JPTKGNKIZDBHFX-KGLIPLIRSA-N -1 3 382.526 3.575 20 0 GHADHM Cc1[nH]c(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1C(=O)[O-] ZINC001599964638 985877238 /nfs/dbraw/zinc/87/72/38/985877238.db2.gz POGRGJGJEJUSCA-UHFFFAOYSA-N -1 3 398.381 3.715 20 0 GHADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(SCc2ccccc2)c1 ZINC001594524775 986025639 /nfs/dbraw/zinc/02/56/39/986025639.db2.gz DCCFCKDACCCQDN-SFHVURJKSA-N -1 3 384.545 3.960 20 0 GHADHM Cc1c(Br)cccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599972559 986032268 /nfs/dbraw/zinc/03/22/68/986032268.db2.gz PWUVWCPYQLXIII-UHFFFAOYSA-N -1 3 378.266 3.853 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589358770 986351308 /nfs/dbraw/zinc/35/13/08/986351308.db2.gz GAMVPDFNJXMWCT-AITUJVMLSA-N -1 3 398.528 3.600 20 0 GHADHM CCOc1cc(CN[C@@](C)(C(=O)[O-])c2ccccc2)cc(Br)c1O ZINC001597035945 986474516 /nfs/dbraw/zinc/47/45/16/986474516.db2.gz RLXZHANGMBVGMT-GOSISDBHSA-N -1 3 394.265 3.643 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001589435856 986746667 /nfs/dbraw/zinc/74/66/67/986746667.db2.gz MSRVJZYGFNIKNK-GMTAPVOTSA-N -1 3 392.805 3.728 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001589616251 987477498 /nfs/dbraw/zinc/47/74/98/987477498.db2.gz QHFMZWHAPKDEFO-KRWDZBQOSA-N -1 3 375.900 3.908 20 0 GHADHM CCc1[nH]c(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001597354931 987499000 /nfs/dbraw/zinc/49/90/00/987499000.db2.gz SBYXDAXXIIQBDZ-GOSISDBHSA-N -1 3 397.519 3.709 20 0 GHADHM CCc1ccccc1[C@@H](CNCc1ccoc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001597609321 988494322 /nfs/dbraw/zinc/49/43/22/988494322.db2.gz MBBQKIUUZLMJAY-QGZVFWFLSA-N -1 3 388.464 3.896 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590025843 989020507 /nfs/dbraw/zinc/02/05/07/989020507.db2.gz MDVIBOTWIXDWMN-UTKZUKDTSA-N -1 3 392.471 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C3CCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001590035494 989059094 /nfs/dbraw/zinc/05/90/94/989059094.db2.gz UIUIVNIYTCYXML-LJQANCHMSA-N -1 3 388.508 3.850 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2CC(=O)[O-])C(C)(C)CC1 ZINC001590057911 989100632 /nfs/dbraw/zinc/10/06/32/989100632.db2.gz IWGSIGJXKFNOKL-UHFFFAOYSA-N -1 3 376.497 3.535 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001590163245 989472881 /nfs/dbraw/zinc/47/28/81/989472881.db2.gz SEULEFYHMQUWEB-NRFANRHFSA-N -1 3 391.512 3.543 20 0 GHADHM CCn1nc(C)c(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1C ZINC001597933346 989895059 /nfs/dbraw/zinc/89/50/59/989895059.db2.gz HSYKRBQSATZBSC-INIZCTEOSA-N -1 3 380.286 3.540 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC001598202550 990823150 /nfs/dbraw/zinc/82/31/50/990823150.db2.gz GQDLHMSFCXVAJO-MRXNPFEDSA-N -1 3 381.259 3.724 20 0 GHADHM COc1cccc(Sc2ccccc2CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001599684389 990963879 /nfs/dbraw/zinc/96/38/79/990963879.db2.gz WLULYBLVOGTOTH-HXUWFJFHSA-N -1 3 387.501 3.504 20 0 GHADHM CC(C)[C@@H](CNC(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001590983160 991158392 /nfs/dbraw/zinc/15/83/92/991158392.db2.gz ZQRARAAOZFHEGC-IRLDBZIGSA-N -1 3 396.531 3.984 20 0 GHADHM CN(CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)CC(C)(C)C ZINC001598375619 991559658 /nfs/dbraw/zinc/55/96/58/991559658.db2.gz ABCYMBVDMUUXMV-HNNXBMFYSA-N -1 3 375.296 3.555 20 0 GHADHM COc1nsc(CN2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1C(=O)[O-] ZINC001599740495 991844442 /nfs/dbraw/zinc/84/44/42/991844442.db2.gz VEAZHDSBRISPRQ-UHFFFAOYSA-N -1 3 389.452 3.850 20 0 GHADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468407569 1015676411 /nfs/dbraw/zinc/67/64/11/1015676411.db2.gz IAFYLJISCCVBGU-UHFFFAOYSA-N -1 3 375.440 3.920 20 0 GHADHM COc1ccc(C(=O)C2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000468415274 1015685630 /nfs/dbraw/zinc/68/56/30/1015685630.db2.gz VEJIDRMZVPCVCT-UHFFFAOYSA-N -1 3 399.462 3.984 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001593131793 993885501 /nfs/dbraw/zinc/88/55/01/993885501.db2.gz RXRPHSONXMTKMV-JSGCOSHPSA-N -1 3 382.888 3.773 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001593132096 993887639 /nfs/dbraw/zinc/88/76/39/993887639.db2.gz VEAGCZPHMLDBIW-ZFWWWQNUSA-N -1 3 391.512 3.716 20 0 GHADHM COc1cccc([C@H](CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)N2CCCC2)c1 ZINC001599658067 994613047 /nfs/dbraw/zinc/61/30/47/994613047.db2.gz SLLARWUJTWOAHZ-FQEVSTJZSA-N -1 3 397.475 3.660 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(CN2CCCCC2)cs1 ZINC000468653391 1015875658 /nfs/dbraw/zinc/87/56/58/1015875658.db2.gz OQNRMVYUSYOLKK-UHFFFAOYSA-N -1 3 377.485 3.935 20 0 GHADHM C[C@](NCc1ccc2c(c1)COC2)(C(=O)[O-])c1cccc(Br)c1 ZINC001593303304 994732736 /nfs/dbraw/zinc/73/27/36/994732736.db2.gz AXTMGHVXMJVLNK-GOSISDBHSA-N -1 3 376.250 3.569 20 0 GHADHM COc1cccc(CN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C[C@H]2CCCO2)c1 ZINC001599673833 994861311 /nfs/dbraw/zinc/86/13/11/994861311.db2.gz XFHMQMJDMSCPBX-HTAPYJJXSA-N -1 3 399.487 3.728 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001593697319 996155817 /nfs/dbraw/zinc/15/58/17/996155817.db2.gz ILTMLQXIICDRDN-IOSWJTEDSA-N -1 3 377.456 3.641 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(CCCN1C(=O)CS/C1=C\C(=O)[O-])C1CC1 ZINC001593713991 996226795 /nfs/dbraw/zinc/22/67/95/996226795.db2.gz UEZDIFUCOBFXQA-FHNWIRHTSA-N -1 3 394.924 3.757 20 0 GHADHM C[C@H](c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1)N1CCOCC1 ZINC000468781335 1016026979 /nfs/dbraw/zinc/02/69/79/1016026979.db2.gz BNNIZRHXCDVQJH-MRXNPFEDSA-N -1 3 386.467 3.886 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1nccn1CCCc1ccccc1 ZINC000468800930 1016047260 /nfs/dbraw/zinc/04/72/60/1016047260.db2.gz BXTAJOBBBSOZLN-UHFFFAOYSA-N -1 3 395.478 4.000 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000468804353 1016052514 /nfs/dbraw/zinc/05/25/14/1016052514.db2.gz DBOQZGPSTGDXRP-MRXNPFEDSA-N -1 3 381.451 3.976 20 0 GHADHM C[C@H]1CC[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000468806427 1016053959 /nfs/dbraw/zinc/05/39/59/1016053959.db2.gz DFFBPZGHCUVSFL-WDEREUQCSA-N -1 3 378.416 3.842 20 0 GHADHM CC1(C)CCC[C@@](NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)(C(=O)[O-])C1 ZINC001593894360 996746920 /nfs/dbraw/zinc/74/69/20/996746920.db2.gz CIDXFEAICZNNEJ-SFHVURJKSA-N -1 3 397.397 3.867 20 0 GHADHM COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001599527907 997595162 /nfs/dbraw/zinc/59/51/62/997595162.db2.gz LVGRFCLLWYCLHX-PMACEKPBSA-N -1 3 390.524 3.522 20 0 GHADHM COc1ccc([C@@H](NCCOc2c(Cl)cccc2Cl)C(=O)[O-])cc1O ZINC001599528102 997599972 /nfs/dbraw/zinc/59/99/72/997599972.db2.gz UJWSTSVEIKWRTL-OAHLLOKOSA-N -1 3 386.231 3.502 20 0 GHADHM COc1ccc([C@@H](NC/C(C)=C\c2ccccc2OC(F)F)C(=O)[O-])cc1O ZINC001599529045 997615708 /nfs/dbraw/zinc/61/57/08/997615708.db2.gz GIFWFKPYLSMWFQ-ZVBPTUHVSA-N -1 3 393.386 3.821 20 0 GHADHM C[C@]1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC[C@@H]1C(=O)[O-] ZINC001594061106 997844311 /nfs/dbraw/zinc/84/43/11/997844311.db2.gz ZGXABHCXWQYXBK-YJYMSZOUSA-N -1 3 375.494 3.800 20 0 GHADHM COc1nsc(CN2CCC(CCc3ccc(OC)cc3)CC2)c1C(=O)[O-] ZINC001599553590 998051525 /nfs/dbraw/zinc/05/15/25/998051525.db2.gz LNJYVXCXVYIFCL-UHFFFAOYSA-N -1 3 390.505 3.703 20 0 GHADHM COC(=O)c1cc2cc(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)ccc2o1 ZINC001598957876 998277549 /nfs/dbraw/zinc/27/75/49/998277549.db2.gz PERTWTAQYKSQOF-KRWDZBQOSA-N -1 3 391.782 3.927 20 0 GHADHM COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001599369867 998393589 /nfs/dbraw/zinc/39/35/89/998393589.db2.gz BGGGELDNJOVPSH-MRXNPFEDSA-N -1 3 397.475 3.522 20 0 GHADHM COC[C@@H](N[C@H](C(=O)[O-])c1ccccc1C)c1cccc(Br)c1 ZINC001599173881 998641403 /nfs/dbraw/zinc/64/14/03/998641403.db2.gz SNDOWNHMOWBFKD-SJORKVTESA-N -1 3 378.266 3.861 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c2cccs2)CC1 ZINC001594422852 999576249 /nfs/dbraw/zinc/57/62/49/999576249.db2.gz PDZDFYAEQDTZJZ-QGZVFWFLSA-N -1 3 390.480 3.788 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@@H]4C[C@H]4C)no3)ccc2C)cc1 ZINC000545774908 1016363252 /nfs/dbraw/zinc/36/32/52/1016363252.db2.gz SQUZCLMEJVLQHP-CXAGYDPISA-N -1 3 399.472 3.978 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCC4(CC(OCC5CC5)C4)CC3)c2c1 ZINC001154512495 1032154762 /nfs/dbraw/zinc/15/47/62/1032154762.db2.gz FTAOWOLJAHYQTL-UHFFFAOYSA-N -1 3 396.487 3.760 20 0 GHADHM COc1ccc2cc([O-])c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2c1 ZINC001154745364 1032268863 /nfs/dbraw/zinc/26/88/63/1032268863.db2.gz YSTTWSQCLASVLX-OAQYLSRUSA-N -1 3 376.456 3.683 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797505 1032288876 /nfs/dbraw/zinc/28/88/76/1032288876.db2.gz VTDQAHKBSHHVTF-UHFFFAOYSA-N -1 3 393.409 3.964 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227586511 1032473940 /nfs/dbraw/zinc/47/39/40/1032473940.db2.gz ALJILGJTPBADCG-LLVKDONJSA-N -1 3 388.233 3.848 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227584460 1032472841 /nfs/dbraw/zinc/47/28/41/1032472841.db2.gz SJVQGWAPQAKQBQ-JQWIXIFHSA-N -1 3 394.212 3.630 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616019 1032486986 /nfs/dbraw/zinc/48/69/86/1032486986.db2.gz JHDHYJZTPVVBOE-ZETCQYMHSA-N -1 3 381.255 3.553 20 0 GHADHM CC(C)N1CC[C@H](Oc2cc([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c23)C1 ZINC001227815865 1032622854 /nfs/dbraw/zinc/62/28/54/1032622854.db2.gz JXLQHRRSXUONLI-KRWDZBQOSA-N -1 3 381.428 3.733 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@H]2CCCc3ccc(Br)cc32)n1 ZINC001227826508 1032634847 /nfs/dbraw/zinc/63/48/47/1032634847.db2.gz RTWRISDVPGICGJ-HNNXBMFYSA-N -1 3 378.222 3.793 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000777608070 1017317102 /nfs/dbraw/zinc/31/71/02/1017317102.db2.gz OCBLQCWYTZIUSL-GJZGRUSLSA-N -1 3 392.496 3.803 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H]1CC1(C)C ZINC000562778496 1018628951 /nfs/dbraw/zinc/62/89/51/1018628951.db2.gz PKFKQROIQGWKAN-STQMWFEESA-N -1 3 377.282 3.845 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(COC(=O)c2cncc([O-])c2)on1 ZINC000778117477 1018630992 /nfs/dbraw/zinc/63/09/92/1018630992.db2.gz GVJLPNVCMUFMMN-UHFFFAOYSA-N -1 3 376.368 3.961 20 0 GHADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c3ccccc3)cn21 ZINC000562781815 1018635376 /nfs/dbraw/zinc/63/53/76/1018635376.db2.gz WWOUSSQAMBMRDS-JSGCOSHPSA-N -1 3 387.427 3.752 20 0 GHADHM CCOc1ccc(-c2noc(CCC(=O)Nc3cccc(C(C)=O)c3[O-])n2)cc1 ZINC000562854661 1018711931 /nfs/dbraw/zinc/71/19/31/1018711931.db2.gz GQOPDVNVYNQVCC-UHFFFAOYSA-N -1 3 395.415 3.615 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(C3CCSCC3)no2)ccc1F ZINC000567114825 1019268904 /nfs/dbraw/zinc/26/89/04/1019268904.db2.gz SOPXMSDNJFVLBB-UHFFFAOYSA-N -1 3 399.513 3.563 20 0 GHADHM O=C([N-]c1cccc2ocnc21)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000568639252 1019432610 /nfs/dbraw/zinc/43/26/10/1019432610.db2.gz GGJTUEASJZRSOC-UHFFFAOYSA-N -1 3 391.284 3.819 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C3CCC3)cc2Br)cc1 ZINC000569796583 1019519777 /nfs/dbraw/zinc/51/97/77/1019519777.db2.gz VRIUCRQMAYTFRI-UHFFFAOYSA-N -1 3 397.294 3.921 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000572641926 1019790789 /nfs/dbraw/zinc/79/07/89/1019790789.db2.gz GAMVPDFNJXMWCT-NQYYFHDYSA-N -1 3 398.528 3.600 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1Cl ZINC000575754696 1019943733 /nfs/dbraw/zinc/94/37/33/1019943733.db2.gz DFOBFJMBNSSRRJ-ZFWWWQNUSA-N -1 3 387.288 3.587 20 0 GHADHM COc1cc(/C=C(\C(=O)Nc2nc(C)ccc2[O-])c2ccccc2)ccc1O 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393.336 3.554 20 0 GHADHM O=C([O-])c1nnn(C2CCN([C@H]3CCc4c3cccc4Cl)CC2)c1C(F)F ZINC000634696090 1020956047 /nfs/dbraw/zinc/95/60/47/1020956047.db2.gz JPDPLNLPAJVFRL-AWEZNQCLSA-N -1 3 396.825 3.892 20 0 GHADHM CC(C)(C)N=c1[n-]nc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000643374606 1021100918 /nfs/dbraw/zinc/10/09/18/1021100918.db2.gz YDNCWCJHWABKLD-FHWLQOOXSA-N -1 3 384.524 3.725 20 0 GHADHM CN(C)C(=O)c1cccc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)c1 ZINC000900035559 1021296987 /nfs/dbraw/zinc/29/69/87/1021296987.db2.gz IQGRLHDZHQDDCY-HSZRJFAPSA-N -1 3 380.488 3.530 20 0 GHADHM Cc1nc(CNCC(C)(C)c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000900021903 1021297077 /nfs/dbraw/zinc/29/70/77/1021297077.db2.gz FDHBRJFELIDFLR-UHFFFAOYSA-N -1 3 383.311 3.980 20 0 GHADHM CCC(CC)Oc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001140272868 1021297363 /nfs/dbraw/zinc/29/73/63/1021297363.db2.gz TYOSZKDDPUEBQI-GJZGRUSLSA-N -1 3 399.491 3.748 20 0 GHADHM C[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273766 1021299486 /nfs/dbraw/zinc/29/94/86/1021299486.db2.gz YCHZNTNYBMIFBH-RYUDHWBXSA-N -1 3 383.448 3.528 20 0 GHADHM C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@@]1(C)C(=O)[O-] ZINC000901542551 1021422259 /nfs/dbraw/zinc/42/22/59/1021422259.db2.gz MAXPKJKWGPVIPJ-RFAUZJTJSA-N -1 3 378.213 3.593 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000902263225 1021500112 /nfs/dbraw/zinc/50/01/12/1021500112.db2.gz LRYWJPNAIGAPMG-CYBMUJFWSA-N -1 3 375.900 3.790 20 0 GHADHM Cc1ccccc1C[C@@H](CNCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000903994422 1021668751 /nfs/dbraw/zinc/66/87/51/1021668751.db2.gz SVTJLDGILQYCPK-ZDUSSCGKSA-N -1 3 397.700 3.839 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1csc(C2CC2)n1 ZINC000748308905 1021682244 /nfs/dbraw/zinc/68/22/44/1021682244.db2.gz CRMSGQSKHRXGLQ-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM CCOC(=O)[C@@H]1C[C@H](Oc2c([O-])ccc3c(C)cc(=O)oc32)c2ccccc2O1 ZINC001228623613 1033014146 /nfs/dbraw/zinc/01/41/46/1033014146.db2.gz SSHUHNYGVURKGY-ROUUACIJSA-N -1 3 396.395 3.641 20 0 GHADHM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001140519123 1021910131 /nfs/dbraw/zinc/91/01/31/1021910131.db2.gz RWGPPQZQEMICEZ-AWEZNQCLSA-N -1 3 380.510 3.635 20 0 GHADHM [O-]c1cccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c1Br ZINC001140548002 1021949291 /nfs/dbraw/zinc/94/92/91/1021949291.db2.gz ZNDUYIGFPUJTBJ-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cccc([O-])c2Br)C1 ZINC001140552305 1021955143 /nfs/dbraw/zinc/95/51/43/1021955143.db2.gz FUORHLOVRLJEKT-OCCSQVGLSA-N -1 3 399.329 3.890 20 0 GHADHM [O-]c1cccc(CN2CCN(C3(c4ccccc4)CC3)CC2)c1Br ZINC001140552644 1021956089 /nfs/dbraw/zinc/95/60/89/1021956089.db2.gz JZZRSNWXZFSMFD-UHFFFAOYSA-N -1 3 387.321 3.962 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001228630065 1033020186 /nfs/dbraw/zinc/02/01/86/1033020186.db2.gz POMLSBQTCWQDKS-UHFFFAOYSA-N -1 3 387.432 3.585 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H]1C1CC1 ZINC000679554107 1022013542 /nfs/dbraw/zinc/01/35/42/1022013542.db2.gz VYZMUPCZCWDOQA-SFTDATJTSA-N -1 3 378.472 3.654 20 0 GHADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000681362140 1022280709 /nfs/dbraw/zinc/28/07/09/1022280709.db2.gz OCWPARUESSSDJC-UHFFFAOYSA-N -1 3 388.815 3.601 20 0 GHADHM CC[C@@](C)(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)OC ZINC000835956372 1022500929 /nfs/dbraw/zinc/50/09/29/1022500929.db2.gz CUKRHJFSSCRRSI-IBGZPJMESA-N -1 3 395.452 3.598 20 0 GHADHM COc1cc(C(=O)OCc2ccccc2Oc2cccnc2)cc(OC)c1[O-] ZINC000754268550 1022571654 /nfs/dbraw/zinc/57/16/54/1022571654.db2.gz PKUIVHRBZONPNB-UHFFFAOYSA-N -1 3 381.384 3.954 20 0 GHADHM CC[C@@H](OC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)c1ccc(Cl)cc1 ZINC000754277613 1022577908 /nfs/dbraw/zinc/57/79/08/1022577908.db2.gz CMZXLERHVVLNOB-CQSZACIVSA-N -1 3 378.808 3.881 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1 ZINC001140887687 1022802622 /nfs/dbraw/zinc/80/26/22/1022802622.db2.gz DHVDIQMPHAXFPZ-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccc([O-])c(F)c4F)C3)C2=O)c1 ZINC001140889347 1022807419 /nfs/dbraw/zinc/80/74/19/1022807419.db2.gz SJFHUJMGXYEGGX-JOCHJYFZSA-N -1 3 386.442 3.603 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2cccc(CC)c2)nc1 ZINC000836289758 1022828587 /nfs/dbraw/zinc/82/85/87/1022828587.db2.gz ODSDPBVLCHIPPZ-UHFFFAOYSA-N -1 3 387.436 3.831 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2cccc(CC)c2)nc1 ZINC000836289758 1022828604 /nfs/dbraw/zinc/82/86/04/1022828604.db2.gz ODSDPBVLCHIPPZ-UHFFFAOYSA-N -1 3 387.436 3.831 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(COC2CCCCC2)c1 ZINC000836338950 1022894451 /nfs/dbraw/zinc/89/44/51/1022894451.db2.gz HFMIAVFUAZAEOY-UHFFFAOYSA-N -1 3 378.469 3.931 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000836338950 1022894463 /nfs/dbraw/zinc/89/44/63/1022894463.db2.gz HFMIAVFUAZAEOY-UHFFFAOYSA-N -1 3 378.469 3.931 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000836385291 1022933268 /nfs/dbraw/zinc/93/32/68/1022933268.db2.gz FETMVZGBJIOWAI-UHFFFAOYSA-N -1 3 377.441 3.811 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000836385291 1022933273 /nfs/dbraw/zinc/93/32/73/1022933273.db2.gz FETMVZGBJIOWAI-UHFFFAOYSA-N -1 3 377.441 3.811 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@H](C)C2)c1 ZINC000754872194 1022943588 /nfs/dbraw/zinc/94/35/88/1022943588.db2.gz JGPBUQYHOBSNPR-CYBMUJFWSA-N -1 3 391.427 3.700 20 0 GHADHM O=C1CCC2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)N1Cc1ccccc1 ZINC001140990042 1023100977 /nfs/dbraw/zinc/10/09/77/1023100977.db2.gz IVJLJWKPGFKESO-UHFFFAOYSA-N -1 3 386.442 3.828 20 0 GHADHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140990041 1023101264 /nfs/dbraw/zinc/10/12/64/1023101264.db2.gz ITZUUIYCFCLKHM-MRXNPFEDSA-N -1 3 378.463 3.579 20 0 GHADHM COCC[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000836886498 1023440780 /nfs/dbraw/zinc/44/07/80/1023440780.db2.gz LMXJSHMLPKEWSF-HNNXBMFYSA-N -1 3 395.368 3.961 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)[C@@H](O)c1c(F)cccc1F ZINC000756007147 1023476016 /nfs/dbraw/zinc/47/60/16/1023476016.db2.gz HCHDUUBFLAJCAD-DOTOQJQBSA-N -1 3 385.357 3.694 20 0 GHADHM Cc1cc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)nc(C)n1 ZINC000756031150 1023486658 /nfs/dbraw/zinc/48/66/58/1023486658.db2.gz YSKJOKJEBPVTKZ-UHFFFAOYSA-N -1 3 387.237 3.603 20 0 GHADHM O=C1CCc2cc([O-])c(OC[C@H]3Cc4cccc(Br)c4O3)cc21 ZINC001228854264 1033137127 /nfs/dbraw/zinc/13/71/27/1033137127.db2.gz PUXSLUPAYHJNBQ-GFCCVEGCSA-N -1 3 375.218 3.666 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000756193242 1023552135 /nfs/dbraw/zinc/55/21/35/1023552135.db2.gz FPIXRZQVTWKTIA-UHFFFAOYSA-N -1 3 397.859 3.619 20 0 GHADHM O=C([O-])C[C@@H](NC/C=C\c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000756378634 1023619665 /nfs/dbraw/zinc/61/96/65/1023619665.db2.gz HGACZKQMVRFERK-BBIZLLLXSA-N -1 3 383.398 3.969 20 0 GHADHM COc1cccc(Oc2ccc(C[N-]C(=O)C(F)(F)c3nccs3)cn2)c1 ZINC000756659573 1023760016 /nfs/dbraw/zinc/76/00/16/1023760016.db2.gz SBKATULWGGBRSP-UHFFFAOYSA-N -1 3 391.399 3.747 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000837028644 1023962255 /nfs/dbraw/zinc/96/22/55/1023962255.db2.gz QYLPUIZGCFILHE-SJORKVTESA-N -1 3 388.508 3.810 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCCN1Cc1cccnc1 ZINC000117755317 1024098784 /nfs/dbraw/zinc/09/87/84/1024098784.db2.gz NVFICXBCJHKQSJ-INIZCTEOSA-N -1 3 390.281 3.543 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000837242524 1024278097 /nfs/dbraw/zinc/27/80/97/1024278097.db2.gz VYNCMOVZMBHUPB-ZBFHGGJFSA-N -1 3 376.497 3.578 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2ncccc2[O-])cc1Br ZINC001138165946 1024283965 /nfs/dbraw/zinc/28/39/65/1024283965.db2.gz XXGHDSSQAPPCKR-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM O=C([O-])Cn1cc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)c2ccccc21 ZINC001138193179 1024339735 /nfs/dbraw/zinc/33/97/35/1024339735.db2.gz RVYVOPIOJYOROV-MRXNPFEDSA-N -1 3 386.398 3.657 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC3(CC(OCC4CC4)C3)CC2)c2ccccc21 ZINC001138192721 1024340381 /nfs/dbraw/zinc/34/03/81/1024340381.db2.gz AMKDQSKGDQUHKW-UHFFFAOYSA-N -1 3 382.504 3.897 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1c(F)cccc1F)C1CC1 ZINC001138203839 1024357861 /nfs/dbraw/zinc/35/78/61/1024357861.db2.gz KSLVYXDJIHAKQU-UHFFFAOYSA-N -1 3 390.336 3.889 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000831250370 1024452909 /nfs/dbraw/zinc/45/29/09/1024452909.db2.gz ZMUAOJPYKVPOBP-UHFFFAOYSA-N -1 3 394.859 3.963 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3C[C@H](CO)[C@@H](C(F)(F)F)C3)cc2)c1 ZINC001141350783 1024662410 /nfs/dbraw/zinc/66/24/10/1024662410.db2.gz PGEIIWRUFSCIHT-MSOLQXFVSA-N -1 3 379.378 3.654 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC001141378407 1024778805 /nfs/dbraw/zinc/77/88/05/1024778805.db2.gz SWFJULCEYGUDAL-IFXJQAMLSA-N -1 3 384.451 3.576 20 0 GHADHM COCC[S@@](=O)Cc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000838880590 1025415320 /nfs/dbraw/zinc/41/53/20/1025415320.db2.gz QVRHGRXJPVMMLW-HSZRJFAPSA-N -1 3 398.322 3.662 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2cccc(Br)c2Cl)c(=O)[n-]1 ZINC000839030156 1025531502 /nfs/dbraw/zinc/53/15/02/1025531502.db2.gz MTLPVUFDGHGHNL-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(Cl)nc1Cl ZINC000832501236 1025616295 /nfs/dbraw/zinc/61/62/95/1025616295.db2.gz YLYSFXTYZGCEEP-NXEZZACHSA-N -1 3 393.317 3.649 20 0 GHADHM CCOC(=O)[C@@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1cccc(C)c1C ZINC000839143204 1025638576 /nfs/dbraw/zinc/63/85/76/1025638576.db2.gz GIAIXUYMVJLWJT-NRFANRHFSA-N -1 3 395.455 3.818 20 0 GHADHM O=C(CCC1CCCCC1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001461027914 1069344601 /nfs/dbraw/zinc/34/46/01/1069344601.db2.gz VLNRTLAZKLXZDQ-MRXNPFEDSA-N -1 3 382.426 3.983 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC001162602003 1025823967 /nfs/dbraw/zinc/82/39/67/1025823967.db2.gz ZBSQQWWHDIZCNQ-ROUUACIJSA-N -1 3 384.476 3.967 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094921 1025907515 /nfs/dbraw/zinc/90/75/15/1025907515.db2.gz KZMYMWLXXVFBNH-WOJBJXKFSA-N -1 3 391.475 3.526 20 0 GHADHM CCNC(=O)c1cc(Cl)nc([N-][C@H](c2ccccc2OC)C(F)(F)F)n1 ZINC001162902183 1025959658 /nfs/dbraw/zinc/95/96/58/1025959658.db2.gz KIRAQDGPNZSVFK-CYBMUJFWSA-N -1 3 388.777 3.604 20 0 GHADHM Cc1ccccc1-c1nsc(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001163605593 1026248908 /nfs/dbraw/zinc/24/89/08/1026248908.db2.gz MZDNEDCFKDNDRH-OLZOCXBDSA-N -1 3 383.477 3.689 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccccc3OC3CCCCC3)cc2n(C)c1=O ZINC001141698392 1026281250 /nfs/dbraw/zinc/28/12/50/1026281250.db2.gz CCVSGKSTEGENQR-UHFFFAOYSA-N -1 3 395.459 3.546 20 0 GHADHM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001139541905 1026402690 /nfs/dbraw/zinc/40/26/90/1026402690.db2.gz XVWCGHWCMRLBIX-UHFFFAOYSA-N -1 3 390.399 3.509 20 0 GHADHM Cc1sc2nc(-c3ccccc3)nc(NCCCc3c[n-][nH]c3=O)c2c1C ZINC001164371915 1026497425 /nfs/dbraw/zinc/49/74/25/1026497425.db2.gz HWZHMZHHDRCLAM-OAHLLOKOSA-N -1 3 379.489 3.899 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(C(F)(F)F)ccc1O ZINC001209985059 1027302634 /nfs/dbraw/zinc/30/26/34/1027302634.db2.gz SMANKYDNTUJQAW-UHFFFAOYSA-N -1 3 385.367 3.772 20 0 GHADHM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cc(C(F)(F)F)ccc1O ZINC001209985059 1027302654 /nfs/dbraw/zinc/30/26/54/1027302654.db2.gz SMANKYDNTUJQAW-UHFFFAOYSA-N -1 3 385.367 3.772 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F ZINC001209993480 1027305679 /nfs/dbraw/zinc/30/56/79/1027305679.db2.gz XGUCBIWGSOVUPB-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1cccc(Cl)c1 ZINC001210130346 1027350587 /nfs/dbraw/zinc/35/05/87/1027350587.db2.gz HAVDLTGYLVVYAO-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC001141843724 1027414110 /nfs/dbraw/zinc/41/41/10/1027414110.db2.gz TVJOSVDEVGFIHW-UHFFFAOYSA-N -1 3 375.354 3.538 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC001141843724 1027414119 /nfs/dbraw/zinc/41/41/19/1027414119.db2.gz TVJOSVDEVGFIHW-UHFFFAOYSA-N -1 3 375.354 3.538 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2cc(Br)cc(F)c2OC)CCC1 ZINC001210909280 1027702622 /nfs/dbraw/zinc/70/26/22/1027702622.db2.gz CPYJYCDFZGCRFE-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cccnc1Oc1ccc(F)cc1 ZINC001210928290 1027709463 /nfs/dbraw/zinc/70/94/63/1027709463.db2.gz SSYPTOXIMRHFLT-CYBMUJFWSA-N -1 3 386.395 3.869 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc3ccc(-c4ccccc4)nc3c2)cc1N ZINC001211100754 1027788584 /nfs/dbraw/zinc/78/85/84/1027788584.db2.gz DNSXBNGUNGYKFQ-UHFFFAOYSA-N -1 3 390.468 3.867 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC001211178279 1027824555 /nfs/dbraw/zinc/82/45/55/1027824555.db2.gz CIMQXKOUGICXLP-NWDGAFQWSA-N -1 3 396.372 3.691 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)C[C@@H]1OC ZINC001211179753 1027825873 /nfs/dbraw/zinc/82/58/73/1027825873.db2.gz QMSAPHSBMSSPFQ-CVEARBPZSA-N -1 3 394.562 3.991 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC001211397333 1027941059 /nfs/dbraw/zinc/94/10/59/1027941059.db2.gz TWIMCBIWVHIEIP-UHFFFAOYSA-N -1 3 397.972 3.936 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OCC(F)F)cc1)OCC ZINC001213301728 1028096349 /nfs/dbraw/zinc/09/63/49/1028096349.db2.gz XQXNDBKUPGRDET-UHFFFAOYSA-N -1 3 383.395 3.511 20 0 GHADHM O=S(=O)([N-][C@H]1CCCCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC001213368726 1028141783 /nfs/dbraw/zinc/14/17/83/1028141783.db2.gz IPTQGWFFASODID-KRWDZBQOSA-N -1 3 394.487 3.688 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCc3cccnc32)c(-c2ccccc2)s1 ZINC001213430011 1028187712 /nfs/dbraw/zinc/18/77/12/1028187712.db2.gz IGLBQKZFBOLQKS-MRXNPFEDSA-N -1 3 385.514 3.522 20 0 GHADHM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001213457394 1028202326 /nfs/dbraw/zinc/20/23/26/1028202326.db2.gz QALLEMVRLKSLLA-UHFFFAOYSA-N -1 3 375.432 3.665 20 0 GHADHM Cc1nc(C)c(CCC(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)c(=O)[n-]1 ZINC000841213641 1028288330 /nfs/dbraw/zinc/28/83/30/1028288330.db2.gz XLDUUSIZBMFVAN-OAHLLOKOSA-N -1 3 395.337 3.720 20 0 GHADHM COc1ccc2ccccc2c1CC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001213658231 1028313376 /nfs/dbraw/zinc/31/33/76/1028313376.db2.gz QHYFRNVQNSRECO-UHFFFAOYSA-N -1 3 391.439 3.956 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc2scc(Br)c2c1 ZINC001213847373 1028407315 /nfs/dbraw/zinc/40/73/15/1028407315.db2.gz RTBPYFRKIOVNGY-UHFFFAOYSA-N -1 3 387.280 3.771 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)[C@@H]1O ZINC000841542220 1028722934 /nfs/dbraw/zinc/72/29/34/1028722934.db2.gz DQVQTSHOJQLGFK-IMYJRCGGSA-N -1 3 399.921 3.565 20 0 GHADHM O=c1[nH]c(-c2nc(-c3ccc4c(c3)CO[C@@H]4c3ccc(F)cc3)no2)ccc1[O-] ZINC001214536083 1028781283 /nfs/dbraw/zinc/78/12/83/1028781283.db2.gz VDELVGCPHGLHJC-GOSISDBHSA-N -1 3 391.358 3.969 20 0 GHADHM COC(=O)c1ncc(Br)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214553813 1028790496 /nfs/dbraw/zinc/79/04/96/1028790496.db2.gz AVFUHHQTEIIBGN-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001215055118 1029016127 /nfs/dbraw/zinc/01/61/27/1029016127.db2.gz LLHDCZKSMWJHEI-UHFFFAOYSA-N -1 3 399.875 3.847 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(OC)c3Br)no2)c1[O-] ZINC001215143562 1029056958 /nfs/dbraw/zinc/05/69/58/1029056958.db2.gz BVJZBMZXMZWHRD-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccccc3CN3CCSC3=O)no2)c1 ZINC001215155166 1029064752 /nfs/dbraw/zinc/06/47/52/1029064752.db2.gz DTANDIJXWSTYAU-UHFFFAOYSA-N -1 3 383.429 3.787 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)c(C)cc2Br)c(=O)[n-]1 ZINC000842424489 1029265008 /nfs/dbraw/zinc/26/50/08/1029265008.db2.gz PXPFKVSTRKHUCT-UHFFFAOYSA-N -1 3 399.672 3.809 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001215941847 1029465208 /nfs/dbraw/zinc/46/52/08/1029465208.db2.gz CXDSYMBLJQMMCI-UHFFFAOYSA-N -1 3 384.415 3.751 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001215941847 1029465210 /nfs/dbraw/zinc/46/52/10/1029465210.db2.gz CXDSYMBLJQMMCI-UHFFFAOYSA-N -1 3 384.415 3.751 20 0 GHADHM CCOc1ccc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(C)c1C ZINC001215988359 1029481351 /nfs/dbraw/zinc/48/13/51/1029481351.db2.gz AYTIMQLLGXBJFA-UHFFFAOYSA-N -1 3 375.469 3.883 20 0 GHADHM Clc1ccnc2cccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)c12 ZINC001216107727 1029526645 /nfs/dbraw/zinc/52/66/45/1029526645.db2.gz DBBZJLUSXXPMOK-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2cccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)c12 ZINC001216107727 1029526652 /nfs/dbraw/zinc/52/66/52/1029526652.db2.gz DBBZJLUSXXPMOK-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM COc1cccc(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)c1[O-] ZINC001142829188 1029542149 /nfs/dbraw/zinc/54/21/49/1029542149.db2.gz POMSKLCOWFIEGS-UHFFFAOYSA-N -1 3 392.337 3.765 20 0 GHADHM [O-]c1cc(Br)cnc1Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001216167889 1029551118 /nfs/dbraw/zinc/55/11/18/1029551118.db2.gz PLHGGUVYYUSNIP-UHFFFAOYSA-N -1 3 398.688 3.779 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001216726903 1029907379 /nfs/dbraw/zinc/90/73/79/1029907379.db2.gz DVKFTPDNMFXVBJ-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)c2c([O-])c(C)nc3ccccc32)CC1 ZINC001149190424 1030083847 /nfs/dbraw/zinc/08/38/47/1030083847.db2.gz LWBMMHHTCGPMLM-UHFFFAOYSA-N -1 3 391.471 3.610 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)cc1F ZINC001217019511 1030096966 /nfs/dbraw/zinc/09/69/66/1030096966.db2.gz VFDZIZHFFCQVRE-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM O=C(NCc1ccc(Nc2ccncc2)cc1)c1c([O-])cnc2c(F)cccc21 ZINC001149347522 1030142966 /nfs/dbraw/zinc/14/29/66/1030142966.db2.gz TUEOPQKDQAORTR-UHFFFAOYSA-N -1 3 388.402 3.570 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ncccc3OCc3ccccc3)no2)C1=O ZINC001217355311 1030331122 /nfs/dbraw/zinc/33/11/22/1030331122.db2.gz RJKKPFDSBOWUFW-UHFFFAOYSA-N -1 3 398.378 3.512 20 0 GHADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001217453674 1030406399 /nfs/dbraw/zinc/40/63/99/1030406399.db2.gz QPZQTSAGUDLMOV-UHFFFAOYSA-N -1 3 394.358 3.885 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cc(OC)c(OC)cc4F)no3)c2c1 ZINC001217500278 1030444037 /nfs/dbraw/zinc/44/40/37/1030444037.db2.gz XQVPAFKKOKRVIH-UHFFFAOYSA-N -1 3 397.362 3.822 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]CC(=O)c1cccc(F)c1F ZINC001150221375 1030456424 /nfs/dbraw/zinc/45/64/24/1030456424.db2.gz SGWZFXTUZGIMLI-UHFFFAOYSA-N -1 3 383.341 3.843 20 0 GHADHM CC(=O)c1ccsc1[N-]C(=O)c1nc2c(s1)CCCN2C(=O)C(C)C ZINC001150335918 1030494034 /nfs/dbraw/zinc/49/40/34/1030494034.db2.gz MRNXKMNYJSYAAV-UHFFFAOYSA-N -1 3 377.491 3.595 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(C)cnc1Cl ZINC001151230687 1030816111 /nfs/dbraw/zinc/81/61/11/1030816111.db2.gz DWLYINUTGJLGCJ-UHFFFAOYSA-N -1 3 399.838 3.588 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1c1ccccc1F ZINC001224104344 1030885703 /nfs/dbraw/zinc/88/57/03/1030885703.db2.gz QQZRUXGGQMFVNG-SWLSCSKDSA-N -1 3 379.229 3.649 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001151717059 1030981260 /nfs/dbraw/zinc/98/12/60/1030981260.db2.gz NJSCYSHBFNZKKH-INIZCTEOSA-N -1 3 385.357 3.723 20 0 GHADHM CCc1cccc(C(=O)NC(C)(C)COc2ncccc2Br)c1[O-] ZINC001151731635 1030984629 /nfs/dbraw/zinc/98/46/29/1030984629.db2.gz ADCMBRYCXWWEFO-UHFFFAOYSA-N -1 3 393.281 3.700 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(NC(=O)c2c([O-])cc3ccccc3c2O)ncn1 ZINC001218579442 1030993860 /nfs/dbraw/zinc/99/38/60/1030993860.db2.gz ZHRLKCVUECFYIG-UHFFFAOYSA-N -1 3 396.403 3.640 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001151785202 1030999074 /nfs/dbraw/zinc/99/90/74/1030999074.db2.gz FEUPQHBLNJDPLM-HZPDHXFCSA-N -1 3 376.884 3.847 20 0 GHADHM O=C(N[C@@H]1CCCCC12OCCO2)c1cc(CCc2ccccc2)ccc1[O-] ZINC001152020532 1031078783 /nfs/dbraw/zinc/07/87/83/1031078783.db2.gz IWZPIADLQKOFNA-OAQYLSRUSA-N -1 3 381.472 3.593 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1cccc2n[nH]cc21 ZINC001218896437 1031137070 /nfs/dbraw/zinc/13/70/70/1031137070.db2.gz VAVNFZDFPQESOQ-UHFFFAOYSA-N -1 3 394.475 3.978 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)c1cccc2c1[N-]C(=O)C2=O ZINC001152450218 1031247713 /nfs/dbraw/zinc/24/77/13/1031247713.db2.gz MHNYRLFUQSFJBL-UHFFFAOYSA-N -1 3 377.787 3.789 20 0 GHADHM CN(Cc1sc2ccccc2c1Cl)C(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152453114 1031247855 /nfs/dbraw/zinc/24/78/55/1031247855.db2.gz UPPAOMGYGSKSEM-UHFFFAOYSA-N -1 3 384.844 3.962 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2cccc3c2[N-]C(=O)C3=O)cc1 ZINC001152457709 1031250454 /nfs/dbraw/zinc/25/04/54/1031250454.db2.gz YISLTTQDFXDEDF-UHFFFAOYSA-N -1 3 388.379 3.875 20 0 GHADHM NC(=O)c1cccc2cccc(C(=O)Nc3cc(Br)ccc3[O-])c21 ZINC001152469680 1031253233 /nfs/dbraw/zinc/25/32/33/1031253233.db2.gz SGLKVURFPJCWCC-UHFFFAOYSA-N -1 3 385.217 3.659 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001152529722 1031269579 /nfs/dbraw/zinc/26/95/79/1031269579.db2.gz UUTYSMGQWNSJBE-OAHLLOKOSA-N -1 3 390.867 3.518 20 0 GHADHM CCN(CC)c1ccc2cc(C(=O)Nc3c([O-])cccc3C(C)=O)c(=O)oc2c1 ZINC001152552246 1031277884 /nfs/dbraw/zinc/27/78/84/1031277884.db2.gz JMIYHEJWMSIHMN-UHFFFAOYSA-N -1 3 394.427 3.800 20 0 GHADHM O=C1N(CCC(F)(F)F)CC[C@]12CCN(Cc1cc(Cl)c([O-])cc1F)C2 ZINC001277057679 1031503683 /nfs/dbraw/zinc/50/36/83/1031503683.db2.gz VWRYHOWXXCMFQS-INIZCTEOSA-N -1 3 394.796 3.562 20 0 GHADHM O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cc([O-])cc(Br)c1 ZINC001153284984 1031521431 /nfs/dbraw/zinc/52/14/31/1031521431.db2.gz PZTNUADFRQCGEW-QGZVFWFLSA-N -1 3 386.249 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC001153473548 1031607419 /nfs/dbraw/zinc/60/74/19/1031607419.db2.gz NZRQEDFIMHFJHB-ZDUSSCGKSA-N -1 3 399.285 3.883 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153480815 1031610614 /nfs/dbraw/zinc/61/06/14/1031610614.db2.gz XMUGJZGTCWGQCB-UHFFFAOYSA-N -1 3 399.241 3.652 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153480815 1031610626 /nfs/dbraw/zinc/61/06/26/1031610626.db2.gz XMUGJZGTCWGQCB-UHFFFAOYSA-N -1 3 399.241 3.652 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225854600 1031655032 /nfs/dbraw/zinc/65/50/32/1031655032.db2.gz WPJOFHZPFIDITI-SNVBAGLBSA-N -1 3 391.415 3.562 20 0 GHADHM O=C(Nc1cc(O)cc(Cl)c1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153878787 1031788181 /nfs/dbraw/zinc/78/81/81/1031788181.db2.gz QNVQOGRYKCHNSR-UHFFFAOYSA-N -1 3 393.624 3.902 20 0 GHADHM Cc1c(C)c(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)ccc1O ZINC001153878034 1031788256 /nfs/dbraw/zinc/78/82/56/1031788256.db2.gz QBQSBGFNLIXQAA-UHFFFAOYSA-N -1 3 387.233 3.865 20 0 GHADHM Cc1ccc([C@]2(C)CN(C(=O)c3cc(=O)c4cc(Cl)ccc4[n-]3)CCO2)cc1 ZINC001153903945 1031802450 /nfs/dbraw/zinc/80/24/50/1031802450.db2.gz HODYEBDKVWHKEE-QFIPXVFZSA-N -1 3 396.874 3.878 20 0 GHADHM O=C(NCc1cc(-c2ccccc2F)no1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908213 1031803774 /nfs/dbraw/zinc/80/37/74/1031803774.db2.gz KDZSKPRPUUWXJD-UHFFFAOYSA-N -1 3 397.793 3.906 20 0 GHADHM O=C(NCC1(CC2CCC2)CCOCC1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153907832 1031804749 /nfs/dbraw/zinc/80/47/49/1031804749.db2.gz CSDJOTMULBVXNI-UHFFFAOYSA-N -1 3 388.895 3.898 20 0 GHADHM O=C(N[C@H]1CCc2[nH]c3ccccc3c2C1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153909547 1031808112 /nfs/dbraw/zinc/80/81/12/1031808112.db2.gz VQGPYNNKCSFYEB-ZDUSSCGKSA-N -1 3 391.858 3.950 20 0 GHADHM CC(C)n1nc(C(=O)Nc2ncc([O-])cc2Br)c2ccccc21 ZINC001153919556 1031816089 /nfs/dbraw/zinc/81/60/89/1031816089.db2.gz JKYXDFPQPNLXLS-UHFFFAOYSA-N -1 3 375.226 3.733 20 0 GHADHM COc1ccc(Br)c(NC(=O)c2c([O-])cc3ccccc3c2O)n1 ZINC001154022714 1031881125 /nfs/dbraw/zinc/88/11/25/1031881125.db2.gz BMBIZQBJOVMFSN-UHFFFAOYSA-N -1 3 389.205 3.669 20 0 GHADHM COC(=O)c1ccc2[n-]c(O[C@@H]3COc4c3cccc4Br)nc2c1 ZINC001226258380 1031882978 /nfs/dbraw/zinc/88/29/78/1031882978.db2.gz NLKAPRXNGYVSEG-CQSZACIVSA-N -1 3 389.205 3.625 20 0 GHADHM CC(C)(C(=O)Nc1ccc(I)cc1[O-])[C@@H]1CCCCO1 ZINC001154104469 1031928469 /nfs/dbraw/zinc/92/84/69/1031928469.db2.gz QDHURCBSGYQKBJ-ZDUSSCGKSA-N -1 3 389.233 3.531 20 0 GHADHM CCN(C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001154110641 1031933105 /nfs/dbraw/zinc/93/31/05/1031933105.db2.gz IYPFJANCSREELU-HNNXBMFYSA-N -1 3 394.471 3.639 20 0 GHADHM COc1cccc2c(Cl)c(C(=O)[N-]c3nnc(Br)s3)cnc12 ZINC001154159747 1031957214 /nfs/dbraw/zinc/95/72/14/1031957214.db2.gz AWOMSVLHFQAQJW-UHFFFAOYSA-N -1 3 399.657 3.763 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1O ZINC001226479258 1031974490 /nfs/dbraw/zinc/97/44/90/1031974490.db2.gz MRPDWKPIMRNUST-KKSFZXQISA-N -1 3 391.464 3.859 20 0 GHADHM CC(=O)c1ccc([O-])c(OC(C)(C)[C@@H]2Cc3c(ccc4ccc(=O)oc34)O2)c1O ZINC001226483780 1031975768 /nfs/dbraw/zinc/97/57/68/1031975768.db2.gz YWSDJURKLGOEMD-KRWDZBQOSA-N -1 3 396.395 3.568 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCCC3)c3cccc(F)c32)c([O-])c1 ZINC001154200754 1031981822 /nfs/dbraw/zinc/98/18/22/1031981822.db2.gz BRKITJISNLJGNF-UHFFFAOYSA-N -1 3 396.462 3.818 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226596876 1032032414 /nfs/dbraw/zinc/03/24/14/1032032414.db2.gz ODKLFEJJPADSRG-ZFWWWQNUSA-N -1 3 393.411 3.615 20 0 GHADHM C[C@@H](Oc1cccc([O-])c1Br)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001229139448 1033302502 /nfs/dbraw/zinc/30/25/02/1033302502.db2.gz GSBYLZYAZKVKBI-RDTXWAMCSA-N -1 3 392.293 3.823 20 0 GHADHM CCOC(=O)[C@@H]1C[C@H](Oc2cccc([O-])c2Br)c2ccccc2O1 ZINC001229143256 1033305713 /nfs/dbraw/zinc/30/57/13/1033305713.db2.gz UVRXXSFSWKYTTH-HOTGVXAUSA-N -1 3 393.233 3.989 20 0 GHADHM O=C(NCC[C@H]1OCCc2ccccc21)c1cc([O-])cc(Br)c1 ZINC001156937808 1033328375 /nfs/dbraw/zinc/32/83/75/1033328375.db2.gz KZFFDDKMMNNGFB-QGZVFWFLSA-N -1 3 376.250 3.589 20 0 GHADHM CO[C@@H](C)CO[C@H](C)COc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267962 1033380736 /nfs/dbraw/zinc/38/07/36/1033380736.db2.gz XKEFYEPWJWEPIT-LSDHHAIUSA-N -1 3 384.428 3.984 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1Br ZINC001157105485 1033415905 /nfs/dbraw/zinc/41/59/05/1033415905.db2.gz LALLKXOFGODLDQ-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1Br ZINC001157105485 1033415912 /nfs/dbraw/zinc/41/59/12/1033415912.db2.gz LALLKXOFGODLDQ-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM CCOc1ccc([C@H](C)Oc2ccc(-c3nnn[n-]3)cc2OC)c(OCC)c1 ZINC001229337306 1033421530 /nfs/dbraw/zinc/42/15/30/1033421530.db2.gz DPCOPGTZDJRIDI-ZDUSSCGKSA-N -1 3 384.436 3.813 20 0 GHADHM CCOc1ccc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2OC)c(OCC)c1 ZINC001229337306 1033421534 /nfs/dbraw/zinc/42/15/34/1033421534.db2.gz DPCOPGTZDJRIDI-ZDUSSCGKSA-N -1 3 384.436 3.813 20 0 GHADHM CC1(CNC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CCCCC1 ZINC001229460261 1033494059 /nfs/dbraw/zinc/49/40/59/1033494059.db2.gz KWPUNSICTRDQIU-OAHLLOKOSA-N -1 3 397.441 3.776 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cc(Cl)ccc2F)no1 ZINC001206053777 1033701494 /nfs/dbraw/zinc/70/14/94/1033701494.db2.gz MLCUMCUSVQCXGX-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229950511 1033811209 /nfs/dbraw/zinc/81/12/09/1033811209.db2.gz LYCKJBCSKZJCPI-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229950511 1033811223 /nfs/dbraw/zinc/81/12/23/1033811223.db2.gz LYCKJBCSKZJCPI-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001158103098 1033915812 /nfs/dbraw/zinc/91/58/12/1033915812.db2.gz QUAWMKUTYFLQCO-HNNXBMFYSA-N -1 3 399.390 3.777 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)[N-]c1nc(-c2cnn(C)c2)ns1 ZINC001158232130 1033974776 /nfs/dbraw/zinc/97/47/76/1033974776.db2.gz QFZCEONNKVTMQC-UHFFFAOYSA-N -1 3 397.460 3.862 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001158345595 1034037435 /nfs/dbraw/zinc/03/74/35/1034037435.db2.gz NIJXELZJJRPAAQ-IERDGZPVSA-N -1 3 379.391 3.590 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001158345595 1034037446 /nfs/dbraw/zinc/03/74/46/1034037446.db2.gz NIJXELZJJRPAAQ-IERDGZPVSA-N -1 3 379.391 3.590 20 0 GHADHM COc1nccc2cc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccc21 ZINC001158712120 1034241474 /nfs/dbraw/zinc/24/14/74/1034241474.db2.gz WVUPTKDMBIZBMC-UHFFFAOYSA-N -1 3 379.803 3.991 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cnc4n3CCCCC4)n[n-]2)cc1 ZINC001159364395 1034565650 /nfs/dbraw/zinc/56/56/50/1034565650.db2.gz YZZHGCOQUWIJLK-UHFFFAOYSA-N -1 3 382.493 3.581 20 0 GHADHM CCOc1cc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cc(Cl)c1[O-] ZINC001207783885 1034574704 /nfs/dbraw/zinc/57/47/04/1034574704.db2.gz SVXYFGIOXQOLCL-UHFFFAOYSA-N -1 3 396.915 3.887 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1 ZINC001231457382 1034600435 /nfs/dbraw/zinc/60/04/35/1034600435.db2.gz LCHHRIMEYZKZNV-IBGZPJMESA-N -1 3 391.483 3.569 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C2(CC2)C1 ZINC001159476303 1034612943 /nfs/dbraw/zinc/61/29/43/1034612943.db2.gz PSKVNMACTSATSP-GOSISDBHSA-N -1 3 382.460 3.675 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523649 1034675206 /nfs/dbraw/zinc/67/52/06/1034675206.db2.gz UBDBPGVPXJAUQV-HIFRSBDPSA-N -1 3 386.414 3.852 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(C2CCCCC2)C1 ZINC001159825562 1034754695 /nfs/dbraw/zinc/75/46/95/1034754695.db2.gz PZIBMRZTEUNQQH-UHFFFAOYSA-N -1 3 389.293 3.943 20 0 GHADHM CC(C)CN1CCC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)C1=O ZINC001277550823 1034833890 /nfs/dbraw/zinc/83/38/90/1034833890.db2.gz GCBDMVORSNDVSM-UHFFFAOYSA-N -1 3 395.341 3.625 20 0 GHADHM CC[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277547088 1034845933 /nfs/dbraw/zinc/84/59/33/1034845933.db2.gz CQFXBDCQBBRAFW-ZFWWWQNUSA-N -1 3 395.341 3.672 20 0 GHADHM CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(Cl)c([O-])c3)C[C@H]12 ZINC001231738726 1034873559 /nfs/dbraw/zinc/87/35/59/1034873559.db2.gz SVKQSFOEVDWUPU-VXKWHMMOSA-N -1 3 384.907 3.810 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(Br)cc1)C1CCC1)c1cscn1 ZINC001208461937 1034904863 /nfs/dbraw/zinc/90/48/63/1034904863.db2.gz IPTKUGVROLJPGY-AWEZNQCLSA-N -1 3 387.324 3.725 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN([C@H](C)c3ccccc3)C2)sc1Cl ZINC001208534109 1034927102 /nfs/dbraw/zinc/92/71/02/1034927102.db2.gz HATMNUYNWAUETQ-HIFRSBDPSA-N -1 3 384.954 3.824 20 0 GHADHM CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160321813 1034940020 /nfs/dbraw/zinc/94/00/20/1034940020.db2.gz ZDWGIUVEIYVCBT-WBMJQRKESA-N -1 3 378.469 3.863 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3nc(CN4CCCCCC4)cs3)c[n-]c12 ZINC001160329831 1034941444 /nfs/dbraw/zinc/94/14/44/1034941444.db2.gz QVFDJPUQGNJKST-UHFFFAOYSA-N -1 3 396.516 3.921 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(-c3ccc(C)s3)[nH]n1)c2=O ZINC001160701289 1035039105 /nfs/dbraw/zinc/03/91/05/1035039105.db2.gz WUJUJVPVESFKHO-UHFFFAOYSA-N -1 3 380.429 3.549 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)N3CCc4ccc(Br)cc43)c[n-]c12 ZINC001160766125 1035062433 /nfs/dbraw/zinc/06/24/33/1035062433.db2.gz DABCMVSMZWMCKU-UHFFFAOYSA-N -1 3 383.245 3.802 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC001160948388 1035101091 /nfs/dbraw/zinc/10/10/91/1035101091.db2.gz JDMINYXZYLFTJR-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC001160948388 1035101096 /nfs/dbraw/zinc/10/10/96/1035101096.db2.gz JDMINYXZYLFTJR-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001160948777 1035102195 /nfs/dbraw/zinc/10/21/95/1035102195.db2.gz NVNKGGAVQXZOPF-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001160948777 1035102201 /nfs/dbraw/zinc/10/22/01/1035102201.db2.gz NVNKGGAVQXZOPF-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(OC(C)C)c(OC)c1)c2=O ZINC001161127104 1035150452 /nfs/dbraw/zinc/15/04/52/1035150452.db2.gz ILJCDNOFJIXFFT-UHFFFAOYSA-N -1 3 382.416 3.585 20 0 GHADHM O=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)s1)c1c([O-])cccc1O ZINC001161720106 1035290304 /nfs/dbraw/zinc/29/03/04/1035290304.db2.gz NCYNPDDWEPRATI-UHFFFAOYSA-N -1 3 381.335 3.887 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)OCc2ccccc2)cc1 ZINC001241296434 1035553483 /nfs/dbraw/zinc/55/34/83/1035553483.db2.gz PDSIKCNNAMISAU-UHFFFAOYSA-N -1 3 386.411 3.899 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)OCc2ccccc2)cc1 ZINC001241296434 1035553493 /nfs/dbraw/zinc/55/34/93/1035553493.db2.gz PDSIKCNNAMISAU-UHFFFAOYSA-N -1 3 386.411 3.899 20 0 GHADHM COc1ccc(C(C)=O)c([N-]C(=S)NC(=O)c2ccc(Cl)cc2)c1C ZINC001248181162 1035609311 /nfs/dbraw/zinc/60/93/11/1035609311.db2.gz ZJNAMQWKMXCSLT-UHFFFAOYSA-N -1 3 376.865 3.986 20 0 GHADHM CCC1(CC)CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC001248239952 1035683114 /nfs/dbraw/zinc/68/31/14/1035683114.db2.gz KMJKFKANGAEJMG-UHFFFAOYSA-N -1 3 387.524 3.609 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc3ccccc3c2Cl)CC1 ZINC001248813614 1036179948 /nfs/dbraw/zinc/17/99/48/1036179948.db2.gz FEPPXYXUYUJLIW-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CCOC(=O)c1cnc(-c2cc(OC(F)(F)F)ccc2[O-])cc1C(=O)OCC ZINC001244458828 1036510927 /nfs/dbraw/zinc/51/09/27/1036510927.db2.gz FVEJTBXEGHGSQQ-UHFFFAOYSA-N -1 3 399.321 3.706 20 0 GHADHM O=c1c(-c2ccc(OC(F)(F)F)cc2[O-])ccnn1Cc1cccc(F)c1 ZINC001244467520 1036515589 /nfs/dbraw/zinc/51/55/89/1036515589.db2.gz PCQCYHOQHQDNHE-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM Cc1cc(-c2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3)cc([O-])c1F ZINC001244506927 1036524386 /nfs/dbraw/zinc/52/43/86/1036524386.db2.gz IZXDUFCXQHKTQX-UHFFFAOYSA-N -1 3 392.381 3.633 20 0 GHADHM FC(F)(F)Oc1ccc(Br)cc1-c1cncc(-c2nnn[n-]2)c1 ZINC001245835589 1037018179 /nfs/dbraw/zinc/01/81/79/1037018179.db2.gz ICDJWSQJHAMHLQ-UHFFFAOYSA-N -1 3 386.131 3.590 20 0 GHADHM FC(F)(F)Oc1ccc(Br)cc1-c1cncc(-c2nn[n-]n2)c1 ZINC001245835589 1037018196 /nfs/dbraw/zinc/01/81/96/1037018196.db2.gz ICDJWSQJHAMHLQ-UHFFFAOYSA-N -1 3 386.131 3.590 20 0 GHADHM O=c1[n-]c(Br)cnc1NC(=S)Nc1c(Cl)cccc1Cl ZINC001246287964 1037277623 /nfs/dbraw/zinc/27/76/23/1037277623.db2.gz JVVDMLAQNDXRLN-UHFFFAOYSA-N -1 3 394.081 3.648 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1[O-] ZINC001247241220 1038017337 /nfs/dbraw/zinc/01/73/37/1038017337.db2.gz SXGPHVXFUFTROQ-UHFFFAOYSA-N -1 3 377.897 4.000 20 0 GHADHM [O-]c1c(F)cc(CN2CCN(CCc3ccccc3)CC2)cc1Br ZINC001232633832 1038420991 /nfs/dbraw/zinc/42/09/91/1038420991.db2.gz UVHMSQPQPDWHSX-UHFFFAOYSA-N -1 3 393.300 3.654 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1Cl ZINC001232787026 1038553635 /nfs/dbraw/zinc/55/36/35/1038553635.db2.gz IRIRCBVOZRFSFI-QWFCFKBJSA-N -1 3 395.927 3.611 20 0 GHADHM Cc1ccc2c(c1)CN(Cc1ccc([O-])c(I)c1)CC2 ZINC001232868805 1038636672 /nfs/dbraw/zinc/63/66/72/1038636672.db2.gz VSWUDUWEAARFKH-UHFFFAOYSA-N -1 3 379.241 3.864 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232934414 1038715604 /nfs/dbraw/zinc/71/56/04/1038715604.db2.gz SKNNXHPLBSMSDH-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232975709 1038746451 /nfs/dbraw/zinc/74/64/51/1038746451.db2.gz MJYLCBSFGPDKLF-UHFFFAOYSA-N -1 3 386.464 3.735 20 0 GHADHM [O-]c1cccc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1F ZINC001233051598 1038806823 /nfs/dbraw/zinc/80/68/23/1038806823.db2.gz WFRPCGFWFUUYKK-XMSQKQJNSA-N -1 3 386.467 3.514 20 0 GHADHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC001252263174 1038916229 /nfs/dbraw/zinc/91/62/29/1038916229.db2.gz GIAAPOCTUADTBX-MLGOLLRUSA-N -1 3 378.806 3.742 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)ccc1C ZINC001252374451 1038962373 /nfs/dbraw/zinc/96/23/73/1038962373.db2.gz FPHKFYYVPKZYDV-UHFFFAOYSA-N -1 3 388.420 3.512 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233394887 1039228262 /nfs/dbraw/zinc/22/82/62/1039228262.db2.gz DRODZJCRLFTJSO-JOCHJYFZSA-N -1 3 384.426 3.571 20 0 GHADHM [O-]c1ccc(F)c(CN2CCN(Cc3cccc(Br)c3)CC2)c1F ZINC001233395731 1039230237 /nfs/dbraw/zinc/23/02/37/1039230237.db2.gz LIFRXAOETZROKL-UHFFFAOYSA-N -1 3 397.263 3.751 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4c(F)ccc([O-])c4F)C3)CC2=O)s1 ZINC001233395162 1039231033 /nfs/dbraw/zinc/23/10/33/1039231033.db2.gz OAIBNMKETIBDKN-LJQANCHMSA-N -1 3 378.444 3.669 20 0 GHADHM COc1ccc(CN2CCn3c(COCC4CC4)cnc3[C@@H]2C)c(Cl)c1[O-] ZINC001233398860 1039234657 /nfs/dbraw/zinc/23/46/57/1039234657.db2.gz BTPAYTXZWDRFAR-ZDUSSCGKSA-N -1 3 391.899 3.754 20 0 GHADHM COc1ccc(CN2CCC(N3Cc4ccccc4C3=O)CC2)c(Cl)c1[O-] ZINC001233401599 1039244079 /nfs/dbraw/zinc/24/40/79/1039244079.db2.gz HDGBTEMKYGHVQW-UHFFFAOYSA-N -1 3 386.879 3.675 20 0 GHADHM COc1ccc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401470 1039244101 /nfs/dbraw/zinc/24/41/01/1039244101.db2.gz ATXAQVVRNWBACU-IBGZPJMESA-N -1 3 384.904 3.791 20 0 GHADHM CCN1CCC[C@@H](Oc2cc3c(cc2[O-])occ(-c2ccc(O)cc2)c3=O)C1 ZINC001234145709 1039886275 /nfs/dbraw/zinc/88/62/75/1039886275.db2.gz ZJMCBYDCMIVKOD-MRXNPFEDSA-N -1 3 381.428 3.734 20 0 GHADHM CC(C)(C)OC(=O)N1CCCO[C@H](COc2c(Cl)ccc([O-])c2F)C1 ZINC001234263497 1039943487 /nfs/dbraw/zinc/94/34/87/1039943487.db2.gz CCARKKLZFCYVON-NSHDSACASA-N -1 3 375.824 3.590 20 0 GHADHM Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc3c(cc2[O-])OCO3)cs1 ZINC001254028283 1039962161 /nfs/dbraw/zinc/96/21/61/1039962161.db2.gz WOUZDBAFHFXZTM-UHFFFAOYSA-N -1 3 380.425 3.756 20 0 GHADHM CCCCOC[C@@H](C)Oc1c([O-])c(Br)ccc1C(=O)OCC ZINC001234608584 1040165487 /nfs/dbraw/zinc/16/54/87/1040165487.db2.gz LWJQRFBCAWMTMN-LLVKDONJSA-N -1 3 375.259 3.915 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H]1CCC(=O)CC1(C)C ZINC001234608661 1040167108 /nfs/dbraw/zinc/16/71/08/1040167108.db2.gz NFBKXULXKKFXAF-CYBMUJFWSA-N -1 3 385.254 3.858 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1CCC(=O)CC1(C)C ZINC001234609149 1040167173 /nfs/dbraw/zinc/16/71/73/1040167173.db2.gz NFBKXULXKKFXAF-ZDUSSCGKSA-N -1 3 385.254 3.858 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691889 1040224494 /nfs/dbraw/zinc/22/44/94/1040224494.db2.gz KJIMPGWNRGKJRY-BFYDXBDKSA-N -1 3 383.448 3.626 20 0 GHADHM COc1cc(O[C@@H](C)C(C)=O)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234784525 1040316941 /nfs/dbraw/zinc/31/69/41/1040316941.db2.gz SWPJHUWNRVTBMD-LBPRGKRZSA-N -1 3 384.384 3.539 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C)c1cccc2ccccc21 ZINC001254651087 1040419592 /nfs/dbraw/zinc/41/95/92/1040419592.db2.gz WKWCHBLLAQGWSY-FQEVSTJZSA-N -1 3 383.469 3.731 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nnc(Cc2ccc(OC)cc2)o1 ZINC001254724749 1040481739 /nfs/dbraw/zinc/48/17/39/1040481739.db2.gz QBRUJQPALCXQCT-UHFFFAOYSA-N -1 3 377.400 3.994 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254949262 1040686470 /nfs/dbraw/zinc/68/64/70/1040686470.db2.gz FLYIQEPJGKNPKL-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)c1F ZINC001255931432 1041421002 /nfs/dbraw/zinc/42/10/02/1041421002.db2.gz VTELTDDTUIXTSZ-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1Br ZINC001256062353 1041500452 /nfs/dbraw/zinc/50/04/52/1041500452.db2.gz USTFWKDIAYVNJQ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001278935078 1041716712 /nfs/dbraw/zinc/71/67/12/1041716712.db2.gz UYFJZWSYMJPLMO-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM C[C@@H]1CN(Cc2ccc(Br)c([O-])c2)CCC[C@]1(O)C(F)(F)F ZINC001236692506 1041834930 /nfs/dbraw/zinc/83/49/30/1041834930.db2.gz RKPBTZJIQVDCDK-QMTHXVAHSA-N -1 3 382.220 3.680 20 0 GHADHM CCCc1noc([C@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)n1 ZINC001236697696 1041839220 /nfs/dbraw/zinc/83/92/20/1041839220.db2.gz HKUKTPACPUMTNK-ZDUSSCGKSA-N -1 3 380.286 3.870 20 0 GHADHM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1ccc(F)c([O-])c1)C2 ZINC001236706060 1041844029 /nfs/dbraw/zinc/84/40/29/1041844029.db2.gz RQQWDDWQJXLCNY-UHFFFAOYSA-N -1 3 378.451 3.652 20 0 GHADHM O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(F)c([O-])c2)CC1 ZINC001236708316 1041844915 /nfs/dbraw/zinc/84/49/15/1041844915.db2.gz QWQRRXRKXNDTFJ-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC[C@H](N3Cc4ccccc4NC3=O)C2)s1 ZINC001237154698 1042067749 /nfs/dbraw/zinc/06/77/49/1042067749.db2.gz MKSYNKHGXLVKNM-LBPRGKRZSA-N -1 3 378.885 3.514 20 0 GHADHM [O-]c1c(F)cc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001237991635 1042446950 /nfs/dbraw/zinc/44/69/50/1042446950.db2.gz KINOZUUEJSZLQX-NVXWUHKLSA-N -1 3 394.849 3.661 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@@H]21 ZINC001237996441 1042450517 /nfs/dbraw/zinc/45/05/17/1042450517.db2.gz ZLONMPIEEFXBIX-HEHGZKQESA-N -1 3 384.879 3.920 20 0 GHADHM CCC[C@@H](COC)N(CCC(=O)OCC)Cc1cc(Cl)c([O-])cc1F ZINC001238153867 1042506192 /nfs/dbraw/zinc/50/61/92/1042506192.db2.gz HGXWCLKYFGXBAI-AWEZNQCLSA-N -1 3 375.868 3.755 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238232248 1042526923 /nfs/dbraw/zinc/52/69/23/1042526923.db2.gz BKFSYWPRRSRIEZ-NRFANRHFSA-N -1 3 392.471 3.889 20 0 GHADHM O=S(=O)([N-]Cc1c[nH]c2ccccc12)c1cc(Br)ccc1F ZINC001238524619 1042629075 /nfs/dbraw/zinc/62/90/75/1042629075.db2.gz FYCXWTHEYCYHPV-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM Cc1cnc(-c2ccccc2)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001238620643 1042661478 /nfs/dbraw/zinc/66/14/78/1042661478.db2.gz GKGLASGCXVWTNY-UHFFFAOYSA-N -1 3 387.483 3.721 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001257009753 1043797067 /nfs/dbraw/zinc/79/70/67/1043797067.db2.gz DESYMGDHIJNTNN-UHFFFAOYSA-N -1 3 396.774 3.572 20 0 GHADHM CCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc21 ZINC001257104554 1043848692 /nfs/dbraw/zinc/84/86/92/1043848692.db2.gz YGUYSWIBXJXKCF-UHFFFAOYSA-N -1 3 390.505 3.667 20 0 GHADHM CCOC(=O)c1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC001257294135 1043959012 /nfs/dbraw/zinc/95/90/12/1043959012.db2.gz ZKLVKTRJMOGGFI-UHFFFAOYSA-N -1 3 394.301 3.710 20 0 GHADHM [O-]c1ccc(-c2nnc(-c3cccc(Cn4cc(Br)cn4)c3)o2)nc1 ZINC001257351733 1043970116 /nfs/dbraw/zinc/97/01/16/1043970116.db2.gz IZYASXIYOBVZQP-UHFFFAOYSA-N -1 3 398.220 3.512 20 0 GHADHM CC(C)(C)OC(=O)NCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001293073122 1044012960 /nfs/dbraw/zinc/01/29/60/1044012960.db2.gz WLJLRPAKIFTLSH-UHFFFAOYSA-N -1 3 386.448 3.829 20 0 GHADHM O=C(N[C@@H](c1nccs1)c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001293193530 1044059269 /nfs/dbraw/zinc/05/92/69/1044059269.db2.gz YEZGAQIKLLIAQR-MRXNPFEDSA-N -1 3 397.406 3.782 20 0 GHADHM CCc1ccc(-c2nnc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)o2)cc1 ZINC001257657006 1044105531 /nfs/dbraw/zinc/10/55/31/1044105531.db2.gz MSXHXHJZARNXRU-UHFFFAOYSA-N -1 3 389.452 3.792 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N1CCc2ccccc2C1 ZINC001462810135 1070561134 /nfs/dbraw/zinc/56/11/34/1070561134.db2.gz NSHYHTPFXPIZRL-MRXNPFEDSA-N -1 3 396.915 3.594 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC001462815917 1070567096 /nfs/dbraw/zinc/56/70/96/1070567096.db2.gz IUNIFFVOXZLWAJ-ZBFHGGJFSA-N -1 3 385.501 3.886 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c2ccc(F)cc2O1 ZINC001294075476 1044458874 /nfs/dbraw/zinc/45/88/74/1044458874.db2.gz RSXZTQLRSLVXHH-AWEZNQCLSA-N -1 3 394.402 3.939 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCCC[C@H]1C ZINC001462836153 1070584658 /nfs/dbraw/zinc/58/46/58/1070584658.db2.gz QVRQXANMUCMGGD-MNOVXSKESA-N -1 3 383.316 3.674 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1c2ccccc2[nH]c1-c1ccccc1 ZINC001294364840 1044591970 /nfs/dbraw/zinc/59/19/70/1044591970.db2.gz GKUADMSSAYOPOQ-UHFFFAOYSA-N -1 3 388.427 3.916 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC001258893537 1044848660 /nfs/dbraw/zinc/84/86/60/1044848660.db2.gz LJRCIVMBKFZSPW-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM COC(=O)c1cc(Br)cc(NC(=O)c2cccc(OC)c2[O-])c1C ZINC001299548870 1044917474 /nfs/dbraw/zinc/91/74/74/1044917474.db2.gz SMRIYKBUVCXNDL-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(F)c1)c1ccc(Br)s1 ZINC001259059118 1044941051 /nfs/dbraw/zinc/94/10/51/1044941051.db2.gz UORKUNFXYFUAHB-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=S(=O)([N-]C1CCc2ccccc2CC1)c1ccc(Br)s1 ZINC001259063156 1044943707 /nfs/dbraw/zinc/94/37/07/1044943707.db2.gz VUCKAIWJFRFRRM-UHFFFAOYSA-N -1 3 386.336 3.737 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2C(F)(F)F)CC1)c1ccc(F)c(F)c1 ZINC001259093470 1044958203 /nfs/dbraw/zinc/95/82/03/1044958203.db2.gz QNPUJIPYJFHEIR-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)c(C)c1 ZINC001259101112 1044961903 /nfs/dbraw/zinc/96/19/03/1044961903.db2.gz OYWBPIPROAWLRX-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(F)(F)F)c1cccc2cnccc21 ZINC001259160195 1044984229 /nfs/dbraw/zinc/98/42/29/1044984229.db2.gz INTVEHWMRNJZIT-MRXNPFEDSA-N -1 3 382.363 3.522 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)C(F)(F)F)c1 ZINC001259190249 1044999255 /nfs/dbraw/zinc/99/92/55/1044999255.db2.gz DJDZJDZCBRLAOW-UHFFFAOYSA-N -1 3 393.770 3.894 20 0 GHADHM O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001295511691 1045038716 /nfs/dbraw/zinc/03/87/16/1045038716.db2.gz BEVCQVNPKMMLEX-FQEVSTJZSA-N -1 3 397.421 3.919 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC001259361226 1045099997 /nfs/dbraw/zinc/09/99/97/1045099997.db2.gz KWTVEHPQOYQGQW-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2cccnc2)c1)c1ccc(-n2cccn2)cc1 ZINC001259368834 1045103074 /nfs/dbraw/zinc/10/30/74/1045103074.db2.gz AUXRYIHONHEDBX-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1C(F)(F)F ZINC001259369624 1045104806 /nfs/dbraw/zinc/10/48/06/1045104806.db2.gz LLNXFXUQOXOZRE-UHFFFAOYSA-N -1 3 397.378 3.701 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F ZINC001259471736 1045184348 /nfs/dbraw/zinc/18/43/48/1045184348.db2.gz PPPOOGLHEFGIBE-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(Cl)c1)C1CC1)c1cccc(Cl)c1F ZINC001259472268 1045184362 /nfs/dbraw/zinc/18/43/62/1045184362.db2.gz NNZLNKQNIKWYAM-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc2C1)c1cc(F)c(F)c(F)c1 ZINC001259503871 1045208491 /nfs/dbraw/zinc/20/84/91/1045208491.db2.gz SWWYKMGWRLCIIK-GFCCVEGCSA-N -1 3 375.799 3.593 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(Cl)c1)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001259505065 1045209342 /nfs/dbraw/zinc/20/93/42/1045209342.db2.gz RFZHWIXYDYUVMN-HNNXBMFYSA-N -1 3 376.787 3.582 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(Cc3cccnc3)CCC(F)(F)CC2)c1 ZINC001259641600 1045255640 /nfs/dbraw/zinc/25/56/40/1045255640.db2.gz ZYUMJZZPEUCMPC-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(F)c1 ZINC001259761852 1045291161 /nfs/dbraw/zinc/29/11/61/1045291161.db2.gz YYPKSTVAGPTLOZ-UHFFFAOYSA-N -1 3 397.443 3.905 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462899884 1070640202 /nfs/dbraw/zinc/64/02/02/1070640202.db2.gz KBLLOFSQXNSDJB-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM CCOC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCc2cccc(F)c2)c1 ZINC001259774650 1045298231 /nfs/dbraw/zinc/29/82/31/1045298231.db2.gz HYAJRBVXOIPYEO-UHFFFAOYSA-N -1 3 385.844 3.640 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1ccc(Br)c(F)c1F ZINC001259786865 1045304259 /nfs/dbraw/zinc/30/42/59/1045304259.db2.gz SOBFJZZIYOOBDM-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ns[n-]c1=O ZINC001296447801 1045317183 /nfs/dbraw/zinc/31/71/83/1045317183.db2.gz HOTHBAWRPPESMV-MRVPVSSYSA-N -1 3 385.289 3.686 20 0 GHADHM CCOc1cc([N-]S(=O)(=O)CCC(F)(F)F)ccc1Br ZINC001259873199 1045326943 /nfs/dbraw/zinc/32/69/43/1045326943.db2.gz HZUPYSGZWLQDTI-UHFFFAOYSA-N -1 3 376.194 3.542 20 0 GHADHM O=S(=O)([N-]c1cccc(F)c1Br)c1cnc2ccccc2c1 ZINC001260010467 1045354366 /nfs/dbraw/zinc/35/43/66/1045354366.db2.gz AYPIDOZQZCPICV-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1Br ZINC001260110645 1045385721 /nfs/dbraw/zinc/38/57/21/1045385721.db2.gz NPVWGIZGBMFPJN-UHFFFAOYSA-N -1 3 386.315 3.724 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)ccc2n1 ZINC001260140582 1045393721 /nfs/dbraw/zinc/39/37/21/1045393721.db2.gz CIYULGFTAXBFFP-UHFFFAOYSA-N -1 3 380.429 3.631 20 0 GHADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c(F)c1 ZINC001260205087 1045413168 /nfs/dbraw/zinc/41/31/68/1045413168.db2.gz WERRXXZWAJUXTH-QMMMGPOBSA-N -1 3 379.787 3.805 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1F)c1cc(Cl)ccn1 ZINC001260208197 1045415004 /nfs/dbraw/zinc/41/50/04/1045415004.db2.gz KFIIKCOZUNFJCI-UHFFFAOYSA-N -1 3 381.231 3.880 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)c(F)n1 ZINC001260244991 1045425106 /nfs/dbraw/zinc/42/51/06/1045425106.db2.gz NFTRYQZGDLDZFK-UHFFFAOYSA-N -1 3 378.469 3.969 20 0 GHADHM Cc1c2c(c(C)c(C)c1S(=O)(=O)[N-]c1c(Cl)cnn1C)OC(C)(C)C2 ZINC001260244712 1045425250 /nfs/dbraw/zinc/42/52/50/1045425250.db2.gz FSNKCLYCRLAQIO-UHFFFAOYSA-N -1 3 383.901 3.513 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001260314973 1045455793 /nfs/dbraw/zinc/45/57/93/1045455793.db2.gz LXPVDIVLWNTVMX-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc4sccc4c([O-])c3)C[C@H]2C1 ZINC001297258249 1045487990 /nfs/dbraw/zinc/48/79/90/1045487990.db2.gz UCQCAXWNDGQAGE-OKILXGFUSA-N -1 3 388.489 3.546 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(F)(F)F ZINC001260451145 1045497566 /nfs/dbraw/zinc/49/75/66/1045497566.db2.gz BHHDLHUJVIPFBB-UHFFFAOYSA-N -1 3 399.346 3.621 20 0 GHADHM CC[C@H](C)c1nnc([C@H](C)[N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)[nH]1 ZINC001297450420 1045526329 /nfs/dbraw/zinc/52/63/29/1045526329.db2.gz FEVKTWREOHRYJJ-UWVGGRQHSA-N -1 3 386.830 3.949 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2)cc1 ZINC001260572042 1045557995 /nfs/dbraw/zinc/55/79/95/1045557995.db2.gz BJQAQEVLSPDAQZ-UHFFFAOYSA-N -1 3 379.478 3.692 20 0 GHADHM C/C(=C/C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC001297608703 1045587298 /nfs/dbraw/zinc/58/72/98/1045587298.db2.gz BKJQODIKVQUHPY-BFPJXGRPSA-N -1 3 387.867 3.623 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)nc2Cl)s1 ZINC001260679618 1045602668 /nfs/dbraw/zinc/60/26/68/1045602668.db2.gz CYYWGBBZXYOCHO-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM CC[C@H](C)S(=O)(=O)[N-]c1cc(C)c(NC(=O)c2ccccc2)cc1OC ZINC001260739629 1045633478 /nfs/dbraw/zinc/63/34/78/1045633478.db2.gz JYYFGGFOYGUXAE-AWEZNQCLSA-N -1 3 376.478 3.796 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001260761049 1045642704 /nfs/dbraw/zinc/64/27/04/1045642704.db2.gz CQEOZWWUELDBAR-UHFFFAOYSA-N -1 3 395.452 3.655 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(Cl)ccc3cccnc32)c1 ZINC001260811164 1045677625 /nfs/dbraw/zinc/67/76/25/1045677625.db2.gz HQDKDUZTOGQDEX-UHFFFAOYSA-N -1 3 375.837 3.647 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cnc2c(C3CC3)cnn2c1 ZINC001260819067 1045685780 /nfs/dbraw/zinc/68/57/80/1045685780.db2.gz LPKPHPHZRAENHB-UHFFFAOYSA-N -1 3 397.287 3.855 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)Nc1cccc([O-])c1Br ZINC001260834903 1045704197 /nfs/dbraw/zinc/70/41/97/1045704197.db2.gz QDGPVFONIMHYNU-UHFFFAOYSA-N -1 3 376.659 3.750 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1F ZINC001260897597 1045753612 /nfs/dbraw/zinc/75/36/12/1045753612.db2.gz OWKLULBXKBQSPD-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM COC(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)OC ZINC001260982949 1045797608 /nfs/dbraw/zinc/79/76/08/1045797608.db2.gz QWYYTOLUUAACSX-UHFFFAOYSA-N -1 3 375.490 3.528 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC001260982623 1045798030 /nfs/dbraw/zinc/79/80/30/1045798030.db2.gz WPJVWBWFBIDGKI-UHFFFAOYSA-N -1 3 377.437 3.682 20 0 GHADHM COc1cccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261014551 1045838997 /nfs/dbraw/zinc/83/89/97/1045838997.db2.gz OWEUVFSIFQRBLL-NSHDSACASA-N -1 3 391.386 3.935 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)cc1Br ZINC001261036341 1045857257 /nfs/dbraw/zinc/85/72/57/1045857257.db2.gz RYUXQMIOFNDALH-UHFFFAOYSA-N -1 3 397.294 3.921 20 0 GHADHM Cc1cc(S(=O)(=O)Nc2cccc([O-])c2Cl)ccc1Br ZINC001261048173 1045867357 /nfs/dbraw/zinc/86/73/57/1045867357.db2.gz KRZYIBBYBGWSTN-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM COC(=O)c1cc2cccc(NC(=O)c3nnc4ccccc4c3[O-])c2s1 ZINC001298573087 1045876692 /nfs/dbraw/zinc/87/66/92/1045876692.db2.gz IPGSYEJMXGWGEC-UHFFFAOYSA-N -1 3 379.397 3.589 20 0 GHADHM O=C(OCC1CCC(O)CC1)c1n[n-]c(-c2ccccc2)c1Br ZINC001261233649 1045932275 /nfs/dbraw/zinc/93/22/75/1045932275.db2.gz BOYJHJLBFHEOJY-UHFFFAOYSA-N -1 3 379.254 3.547 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)c1[O-] ZINC001298749185 1045938010 /nfs/dbraw/zinc/93/80/10/1045938010.db2.gz RPPFMNFRDLNASX-UHFFFAOYSA-N -1 3 375.837 3.807 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001261263018 1045946589 /nfs/dbraw/zinc/94/65/89/1045946589.db2.gz UNGRZIREBLMXBS-SECBINFHSA-N -1 3 382.791 3.646 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1C ZINC001463028663 1070741495 /nfs/dbraw/zinc/74/14/95/1070741495.db2.gz XVKAFZWFSHRCJF-UHFFFAOYSA-N -1 3 375.768 3.720 20 0 GHADHM COc1cc(CN[C@](C)(C(=O)[O-])c2ccccc2)ccc1OCC(F)(F)F ZINC001262157145 1046201250 /nfs/dbraw/zinc/20/12/50/1046201250.db2.gz SBCGCMNDQDXBHM-SFHVURJKSA-N -1 3 383.366 3.726 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001463076648 1070775854 /nfs/dbraw/zinc/77/58/54/1070775854.db2.gz OOCFYKNCQYLKAI-OAHLLOKOSA-N -1 3 399.871 3.565 20 0 GHADHM CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC001301211031 1046405830 /nfs/dbraw/zinc/40/58/30/1046405830.db2.gz XRTNUEWIWRYBEA-UHFFFAOYSA-N -1 3 387.798 3.648 20 0 GHADHM CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001301319045 1046482724 /nfs/dbraw/zinc/48/27/24/1046482724.db2.gz UCZAJPJQARYUQH-ZDUSSCGKSA-N -1 3 392.249 3.635 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2F)s1 ZINC001463121441 1070819277 /nfs/dbraw/zinc/81/92/77/1070819277.db2.gz FLLWVXMQTNDIBA-KRWDZBQOSA-N -1 3 376.478 3.853 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)Cc1cccc(Br)c1 ZINC001463122496 1070820415 /nfs/dbraw/zinc/82/04/15/1070820415.db2.gz AECOEMDREYLDPO-ZDUSSCGKSA-N -1 3 386.311 3.898 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(Cl)cs1 ZINC001302291994 1046902200 /nfs/dbraw/zinc/90/22/00/1046902200.db2.gz UDORYMSQGXMNPC-UHFFFAOYSA-N -1 3 390.852 3.946 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(C)(C)C ZINC001463167131 1070870126 /nfs/dbraw/zinc/87/01/26/1070870126.db2.gz LKPLOAQVFDRQHS-GFCCVEGCSA-N -1 3 398.750 3.750 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001263934096 1047190658 /nfs/dbraw/zinc/19/06/58/1047190658.db2.gz SOCAUFLWNAVOCU-UHFFFAOYSA-N -1 3 394.456 3.535 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCC[C@H]2[C@H]2CCCO2)s1 ZINC001264001363 1047209510 /nfs/dbraw/zinc/20/95/10/1047209510.db2.gz SYDXORPQUCSXIA-QWHCGFSZSA-N -1 3 381.498 3.664 20 0 GHADHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)cs2)n1 ZINC001264524544 1047367000 /nfs/dbraw/zinc/36/70/00/1047367000.db2.gz AELKRONQWGEYBD-UHFFFAOYSA-N -1 3 376.825 3.523 20 0 GHADHM O=C([N-]Cc1ccc(Cl)nc1)C(F)(F)c1ccccc1Br ZINC001264682975 1047408299 /nfs/dbraw/zinc/40/82/99/1047408299.db2.gz PKMLNYFTCMNHBM-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM O=C([N-]Cc1cc(=O)[nH]c(C2CC2)n1)C(F)(F)c1cccc(Cl)c1Cl ZINC001303522315 1047411921 /nfs/dbraw/zinc/41/19/21/1047411921.db2.gz XTOOIXRJHZJQAI-UHFFFAOYSA-N -1 3 388.201 3.775 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)nc2Cl)c(OC)c1 ZINC000391082064 1047529932 /nfs/dbraw/zinc/52/99/32/1047529932.db2.gz OREYLDAHOUEZFI-UHFFFAOYSA-N -1 3 377.249 3.515 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304130947 1047595294 /nfs/dbraw/zinc/59/52/94/1047595294.db2.gz FRDVIXZCUHNMPV-QMMMGPOBSA-N -1 3 376.766 3.755 20 0 GHADHM CCCOc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1OCC ZINC001304132459 1047596192 /nfs/dbraw/zinc/59/61/92/1047596192.db2.gz RSYVOPMDWOFBOE-SNVBAGLBSA-N -1 3 386.374 3.502 20 0 GHADHM COC(=O)c1cc(NC(=O)c2csc3c2CC[C@H](C)C3)c([O-])c(OC)c1 ZINC001304498814 1047693611 /nfs/dbraw/zinc/69/36/11/1047693611.db2.gz RCZGMHIQELWZHX-JTQLQIEISA-N -1 3 375.446 3.626 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)nc1 ZINC001304567191 1047715428 /nfs/dbraw/zinc/71/54/28/1047715428.db2.gz GEVCGBFQMJTQKC-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)nc1 ZINC001304567191 1047715431 /nfs/dbraw/zinc/71/54/31/1047715431.db2.gz GEVCGBFQMJTQKC-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001279110065 1047722462 /nfs/dbraw/zinc/72/24/62/1047722462.db2.gz NODFGHVLPIBGOH-CJNGLKHVSA-N -1 3 391.924 3.509 20 0 GHADHM Cc1ncsc1CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc([S-])c1)C2 ZINC001279197787 1047741190 /nfs/dbraw/zinc/74/11/90/1047741190.db2.gz AKRZWKPWZNSNPY-HXUWFJFHSA-N -1 3 387.574 3.869 20 0 GHADHM [O-]c1c(Cl)cc(CN2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)cc1Cl ZINC001279324690 1047768263 /nfs/dbraw/zinc/76/82/63/1047768263.db2.gz JXROISBBKLHYSI-IBGZPJMESA-N -1 3 395.334 3.910 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001304814161 1047780096 /nfs/dbraw/zinc/78/00/96/1047780096.db2.gz JTFCTQLWCAAGNU-QAQDUYKDSA-N -1 3 381.476 3.605 20 0 GHADHM CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1cc2sccc2c([O-])c1 ZINC001304826767 1047783794 /nfs/dbraw/zinc/78/37/94/1047783794.db2.gz LBJRURAHYYBJTP-UHFFFAOYSA-N -1 3 381.379 3.730 20 0 GHADHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)CCCC(C)(C)C1 ZINC001279801703 1047952765 /nfs/dbraw/zinc/95/27/65/1047952765.db2.gz BMHRSUVSIAJAQP-QGZVFWFLSA-N -1 3 388.842 3.763 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CN(C(=O)c3cc([O-])c4ccccc4c3)C2)C1 ZINC001305447413 1048059130 /nfs/dbraw/zinc/05/91/30/1048059130.db2.gz TYFRYAVJTRHDOY-UHFFFAOYSA-N -1 3 382.460 3.628 20 0 GHADHM CS[C@H](C)CCN1CC[C@H]2C[C@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001280223898 1048132544 /nfs/dbraw/zinc/13/25/44/1048132544.db2.gz OAALXQSJBQLSJQ-FTLABTOESA-N -1 3 377.535 3.546 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnc(C)c(Br)c3)c[n-]c12 ZINC001305916040 1048306671 /nfs/dbraw/zinc/30/66/71/1048306671.db2.gz RQIOKKVFHSZHKD-UHFFFAOYSA-N -1 3 390.212 3.694 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cc(Br)ccc3C)n[n-]2)o1 ZINC001306698127 1048827502 /nfs/dbraw/zinc/82/75/02/1048827502.db2.gz NLNKDJRTHNPXEL-UHFFFAOYSA-N -1 3 375.226 3.625 20 0 GHADHM COc1cccc2cc(C(=O)Nc3nc(-c4ccc([O-])c(Cl)c4)n[nH]3)oc21 ZINC001306825156 1048917397 /nfs/dbraw/zinc/91/73/97/1048917397.db2.gz GSZWRIREUOOOFR-UHFFFAOYSA-N -1 3 384.779 3.838 20 0 GHADHM CC(C)(C)CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001306889534 1048946054 /nfs/dbraw/zinc/94/60/54/1048946054.db2.gz GBXNDEUGGSMJOS-UHFFFAOYSA-N -1 3 378.472 3.691 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@H]3CCCC3(C)C)[n-]c2c(Br)c1 ZINC001289667985 1049582437 /nfs/dbraw/zinc/58/24/37/1049582437.db2.gz JTAQHOULJJOOPF-JTQLQIEISA-N -1 3 394.269 3.877 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc(N4CCCCC4)c(Br)c3)C[C@@H]21 ZINC000902555279 1049732148 /nfs/dbraw/zinc/73/21/48/1049732148.db2.gz VICFQWHFAYRZIT-RVKKMQEKSA-N -1 3 393.325 3.592 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c(Cl)nc12 ZINC001290622266 1049888648 /nfs/dbraw/zinc/88/86/48/1049888648.db2.gz IVVLLXWWUYYWTF-UHFFFAOYSA-N -1 3 389.864 3.820 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC001308204259 1049911825 /nfs/dbraw/zinc/91/18/25/1049911825.db2.gz OMXQFXKIGPBWSO-CYBMUJFWSA-N -1 3 391.309 3.973 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1[O-] ZINC001290853426 1049939261 /nfs/dbraw/zinc/93/92/61/1049939261.db2.gz DZRIEHVFCWLBRJ-UHFFFAOYSA-N -1 3 379.412 3.835 20 0 GHADHM Cc1c(NCc2cccc([O-])c2Br)nnn1-c1ccc(F)cc1 ZINC001308546694 1050005284 /nfs/dbraw/zinc/00/52/84/1050005284.db2.gz OYZJVZDTERTWOU-UHFFFAOYSA-N -1 3 377.217 3.795 20 0 GHADHM CCOc1cc(CN2C[C@H](C(=O)OC)Cc3ccccc32)cc(Cl)c1[O-] ZINC001308955285 1050216294 /nfs/dbraw/zinc/21/62/94/1050216294.db2.gz SCCJUSOWABPTCI-OAHLLOKOSA-N -1 3 375.852 3.796 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)cc1F ZINC001309032155 1050288510 /nfs/dbraw/zinc/28/85/10/1050288510.db2.gz PJZXXYUHUJJJAZ-UHFFFAOYSA-N -1 3 381.444 3.764 20 0 GHADHM Cc1c(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cnn1-c1ccccc1 ZINC001327934144 1050330040 /nfs/dbraw/zinc/33/00/40/1050330040.db2.gz HJIJMLPCAWJZDY-UHFFFAOYSA-N -1 3 378.215 3.855 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC001309120923 1050375997 /nfs/dbraw/zinc/37/59/97/1050375997.db2.gz GXGWTVJLHKFNFP-JQFCIGGWSA-N -1 3 399.528 3.907 20 0 GHADHM CCCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(C)(C)C ZINC001309184061 1050442318 /nfs/dbraw/zinc/44/23/18/1050442318.db2.gz WDXMVTWDDDQNST-ZDUSSCGKSA-N -1 3 390.933 3.795 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC001309201647 1050465786 /nfs/dbraw/zinc/46/57/86/1050465786.db2.gz OUWNBVUAYFTJPC-JSGCOSHPSA-N -1 3 389.370 3.634 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(Cl)cc1F ZINC001309260693 1050530410 /nfs/dbraw/zinc/53/04/10/1050530410.db2.gz AKIQGBYMGZNOMY-CYBMUJFWSA-N -1 3 389.279 3.690 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(-c2ccccc2)s1 ZINC001309312434 1050583049 /nfs/dbraw/zinc/58/30/49/1050583049.db2.gz PKZYZMMGJDHKDQ-MRXNPFEDSA-N -1 3 392.546 3.889 20 0 GHADHM O=S(=O)([N-]CC1(Cc2ccc(F)cc2)CC1)c1cnc(Cl)c(Cl)c1 ZINC001309353793 1050627350 /nfs/dbraw/zinc/62/73/50/1050627350.db2.gz XGGOBZUBECQAAD-UHFFFAOYSA-N -1 3 389.279 3.829 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC001309410967 1050693759 /nfs/dbraw/zinc/69/37/59/1050693759.db2.gz CJMUCVICJVOVDG-CMPLNLGQSA-N -1 3 394.306 3.844 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)cc1F ZINC001309428885 1050713176 /nfs/dbraw/zinc/71/31/76/1050713176.db2.gz IEBZWMWEGSMBCN-UHFFFAOYSA-N -1 3 393.814 3.980 20 0 GHADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001309441953 1050721944 /nfs/dbraw/zinc/72/19/44/1050721944.db2.gz WYFQWGWDNLWCFU-NSHDSACASA-N -1 3 387.851 3.824 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)c(-c2ccccc2)s1 ZINC001309445061 1050724101 /nfs/dbraw/zinc/72/41/01/1050724101.db2.gz QIQNRPVLEDERHZ-UHFFFAOYSA-N -1 3 380.535 3.602 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCC(C)(C)CC ZINC001309447608 1050726701 /nfs/dbraw/zinc/72/67/01/1050726701.db2.gz IGBRTJOPKPLKMO-MRXNPFEDSA-N -1 3 389.945 3.560 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)c(F)c(F)c21)c1cc(F)ccc1Cl ZINC001309502198 1050768096 /nfs/dbraw/zinc/76/80/96/1050768096.db2.gz SNEGYWQWWVHGSP-LLVKDONJSA-N -1 3 379.762 3.862 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001309540523 1050794715 /nfs/dbraw/zinc/79/47/15/1050794715.db2.gz FTBGXCBSERWGKK-LBPRGKRZSA-N -1 3 399.862 3.826 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1 ZINC001309552795 1050804972 /nfs/dbraw/zinc/80/49/72/1050804972.db2.gz ZPRJZYIWQCHWPW-AWEZNQCLSA-N -1 3 392.427 3.577 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1=CCCC1 ZINC001309562983 1050815617 /nfs/dbraw/zinc/81/56/17/1050815617.db2.gz FZHLWHZWQLVCBT-UHFFFAOYSA-N -1 3 393.734 3.912 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)s1 ZINC001309578960 1050829833 /nfs/dbraw/zinc/82/98/33/1050829833.db2.gz GKIOQUBOVWBMSF-FVQBIDKESA-N -1 3 393.530 3.785 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCC2)O1)c1c2ncsc2ccc1Cl ZINC001309633424 1050882171 /nfs/dbraw/zinc/88/21/71/1050882171.db2.gz WMTBCLBLOHGATF-NSHDSACASA-N -1 3 386.926 3.720 20 0 GHADHM O=S(=O)([N-]CCc1ccnc2ccccc12)c1csnc1-c1ccccc1 ZINC001309666671 1050909351 /nfs/dbraw/zinc/90/93/51/1050909351.db2.gz SZRXEJIXVLMUDA-UHFFFAOYSA-N -1 3 395.509 3.879 20 0 GHADHM Cc1ccc(-c2ncc(CN[C@@H](Cn3cc(Cl)cn3)C(=O)[O-])s2)cc1C ZINC001329869609 1050913941 /nfs/dbraw/zinc/91/39/41/1050913941.db2.gz ZVGKEPLZXZSCKN-INIZCTEOSA-N -1 3 390.896 3.520 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001309839492 1050998793 /nfs/dbraw/zinc/99/87/93/1050998793.db2.gz VQKHUDXXYDMDEQ-JOYOIKCWSA-N -1 3 392.226 3.772 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1cc(Cl)cc2c1OCC2 ZINC001309892621 1051027959 /nfs/dbraw/zinc/02/79/59/1051027959.db2.gz SAFPMQDHWRNTKX-QMMMGPOBSA-N -1 3 391.251 3.502 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1cc(F)ccc1Br ZINC001309923414 1051046702 /nfs/dbraw/zinc/04/67/02/1051046702.db2.gz ZQMQYSQUCBADTH-OAHLLOKOSA-N -1 3 384.270 3.944 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2cnco2)cc1)c1csnc1-c1ccccc1 ZINC001309924677 1051049293 /nfs/dbraw/zinc/04/92/93/1051049293.db2.gz ONBULOPNCZLBLN-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1csnc1-c1ccccc1 ZINC001309936412 1051057116 /nfs/dbraw/zinc/05/71/16/1051057116.db2.gz SOHGMDBABBWDIU-INIZCTEOSA-N -1 3 390.917 3.909 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nccc3cccnc32)CC1 ZINC001333861001 1051856318 /nfs/dbraw/zinc/85/63/18/1051856318.db2.gz QMMRTNFWXWYSHF-UHFFFAOYSA-N -1 3 382.851 3.844 20 0 GHADHM CSC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCOCC1 ZINC001337048901 1052386026 /nfs/dbraw/zinc/38/60/26/1052386026.db2.gz KPRVURMADVWRDC-UHFFFAOYSA-N -1 3 392.546 3.812 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCc2c1ccc(F)c2Br ZINC001312070999 1052556866 /nfs/dbraw/zinc/55/68/66/1052556866.db2.gz DJCLECGAEABDJZ-AWEZNQCLSA-N -1 3 397.219 3.920 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC001312071626 1052557308 /nfs/dbraw/zinc/55/73/08/1052557308.db2.gz JFNWHKKYIXJKDR-NSHDSACASA-N -1 3 381.245 3.897 20 0 GHADHM CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001312079532 1052561006 /nfs/dbraw/zinc/56/10/06/1052561006.db2.gz SVSPPBZAPQOEPW-LJQANCHMSA-N -1 3 389.446 3.649 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2coc(-c3ccccc3)n2)sc1Cl ZINC001343497037 1053815010 /nfs/dbraw/zinc/81/50/10/1053815010.db2.gz SSLOFYCKEQHXHH-UHFFFAOYSA-N -1 3 382.894 3.886 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001343498366 1053816195 /nfs/dbraw/zinc/81/61/95/1053816195.db2.gz XSDGORAODSNTGZ-HNNXBMFYSA-N -1 3 398.536 3.731 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn4c(cccc4C)n3)nc(=O)c2c1C ZINC001317692254 1054230485 /nfs/dbraw/zinc/23/04/85/1054230485.db2.gz WQYZQECGZJVWFA-LLVKDONJSA-N -1 3 382.445 3.888 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]4CCC[C@H]43)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001344092457 1054242748 /nfs/dbraw/zinc/24/27/48/1054242748.db2.gz KMOXKNUSSJHUAN-IEBWSBKVSA-N -1 3 390.491 3.566 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001344501695 1054526089 /nfs/dbraw/zinc/52/60/89/1054526089.db2.gz VOLINWYCVCXGCY-CTYIDZIISA-N -1 3 379.382 3.504 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001318393290 1054608475 /nfs/dbraw/zinc/60/84/75/1054608475.db2.gz FKIVREBIHRRSQD-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001318393290 1054608481 /nfs/dbraw/zinc/60/84/81/1054608481.db2.gz FKIVREBIHRRSQD-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@H]1CCCCO1 ZINC001344662591 1054646161 /nfs/dbraw/zinc/64/61/61/1054646161.db2.gz RNSVRKSGLZVVTR-IERDGZPVSA-N -1 3 399.495 3.535 20 0 GHADHM CC[C@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001344901397 1054793000 /nfs/dbraw/zinc/79/30/00/1054793000.db2.gz SJJHJKUCXUEVGF-AWEZNQCLSA-N -1 3 384.509 3.628 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C(F)(F)F)c(Cl)n1 ZINC001319060377 1055015130 /nfs/dbraw/zinc/01/51/30/1055015130.db2.gz DESXASSLPLEKGI-UHFFFAOYSA-N -1 3 397.781 3.877 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2cnc(-c3ccccc3)s2)cc1OC ZINC001319183812 1055085195 /nfs/dbraw/zinc/08/51/95/1055085195.db2.gz IUQPBEYSMSDENV-UHFFFAOYSA-N -1 3 384.457 3.618 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001319539217 1055314285 /nfs/dbraw/zinc/31/42/85/1055314285.db2.gz KJJZEQHDCGIXTE-UHFFFAOYSA-N -1 3 393.216 3.885 20 0 GHADHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)CCC2 ZINC001319926931 1055546705 /nfs/dbraw/zinc/54/67/05/1055546705.db2.gz FQOHZCUESWWJRB-JTQLQIEISA-N -1 3 378.306 3.509 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccncc2Br)C[C@H]1c1ccc(Cl)cc1 ZINC001353915910 1056126034 /nfs/dbraw/zinc/12/60/34/1056126034.db2.gz PITRITIVNUWPPA-LSDHHAIUSA-N -1 3 395.684 3.798 20 0 GHADHM COC(=O)c1nc([N-]C(=O)c2nc(Cl)sc2Cl)sc1C1CC1 ZINC000847910487 1056169890 /nfs/dbraw/zinc/16/98/90/1056169890.db2.gz YSZIBRKOAACUHQ-UHFFFAOYSA-N -1 3 378.262 3.823 20 0 GHADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]Oc1ccc(F)cc1 ZINC001300514316 1056335538 /nfs/dbraw/zinc/33/55/38/1056335538.db2.gz JYPUBMGJVFNSKK-UHFFFAOYSA-N -1 3 378.407 3.681 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1c[nH]c(C(F)(F)F)c1 ZINC001321619243 1056343337 /nfs/dbraw/zinc/34/33/37/1056343337.db2.gz OBTCJLRUEYGAKY-UHFFFAOYSA-N -1 3 396.774 3.649 20 0 GHADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1nc(Cl)sc1Cl ZINC000848067839 1056534910 /nfs/dbraw/zinc/53/49/10/1056534910.db2.gz INJNGROSDZTANI-UHFFFAOYSA-N -1 3 394.230 3.817 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nnc(-c3ccccc3Cl)o2)ccc1F ZINC001322671582 1056792708 /nfs/dbraw/zinc/79/27/08/1056792708.db2.gz PCVKQPOOQBDUHI-UHFFFAOYSA-N -1 3 393.827 3.637 20 0 GHADHM Cc1ncc(Br)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)n1 ZINC001324560548 1057164236 /nfs/dbraw/zinc/16/42/36/1057164236.db2.gz KVLLMNJKYFRXQF-UHFFFAOYSA-N -1 3 382.287 3.699 20 0 GHADHM Cc1cc(C)n2ncc(C(=O)[N-]c3nnc(-c4cc(F)ccc4C)s3)c2n1 ZINC001324966535 1057255368 /nfs/dbraw/zinc/25/53/68/1057255368.db2.gz KEZODOKOQYUEJB-UHFFFAOYSA-N -1 3 382.424 3.564 20 0 GHADHM [O-]c1cccc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)c1Br ZINC001325013517 1057263651 /nfs/dbraw/zinc/26/36/51/1057263651.db2.gz QHODQHSDCKHUAN-UKRRQHHQSA-N -1 3 398.322 3.541 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc2c(c1)oc1ccccc12 ZINC001325346680 1057316553 /nfs/dbraw/zinc/31/65/53/1057316553.db2.gz XZVLIVSABBJKBV-UHFFFAOYSA-N -1 3 392.367 3.740 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4nc([C@H]5CCCO5)[nH]c4c3)cc2o1 ZINC001326177658 1057426803 /nfs/dbraw/zinc/42/68/03/1057426803.db2.gz PSZMDXVFWKOFHY-QGZVFWFLSA-N -1 3 398.444 3.665 20 0 GHADHM Cc1cc(CN2CCCN(c3c(C(=O)[O-])cnc4c(C)c(C)ccc43)CC2)no1 ZINC001326420871 1057479997 /nfs/dbraw/zinc/47/99/97/1057479997.db2.gz KCUSETFLPVIXCP-UHFFFAOYSA-N -1 3 394.475 3.559 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1c(C)noc1C ZINC001326516625 1057502346 /nfs/dbraw/zinc/50/23/46/1057502346.db2.gz JIXNTGSZGLDUFL-SECBINFHSA-N -1 3 397.806 3.788 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001327082025 1057594721 /nfs/dbraw/zinc/59/47/21/1057594721.db2.gz ZODNCGCINQYWRF-GRYCIOLGSA-N -1 3 377.840 3.645 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(Cl)cc3C)nc21 ZINC001440004216 1058384320 /nfs/dbraw/zinc/38/43/20/1058384320.db2.gz SUJYXKPQTOGDNW-UHFFFAOYSA-N -1 3 387.823 3.719 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(N3CCCCCC3)cc2)c([O-])c1 ZINC001440639078 1058553974 /nfs/dbraw/zinc/55/39/74/1058553974.db2.gz PAVXPCLGMLRCBE-UHFFFAOYSA-N -1 3 395.503 3.840 20 0 GHADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4c([O-])cccc4OC)CC3)c2c1 ZINC001441396924 1058772675 /nfs/dbraw/zinc/77/26/75/1058772675.db2.gz SBMGSUGRQMHNQD-UHFFFAOYSA-N -1 3 378.428 3.820 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001442718322 1058997138 /nfs/dbraw/zinc/99/71/38/1058997138.db2.gz DSYUVXUREAMRRD-UHFFFAOYSA-N -1 3 389.908 3.974 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Nc2ccccc2C(C)C)cc1 ZINC001443447467 1059132836 /nfs/dbraw/zinc/13/28/36/1059132836.db2.gz PQDDKBNLKLNVMD-LJQANCHMSA-N -1 3 378.476 3.795 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)c1 ZINC001443830022 1059212610 /nfs/dbraw/zinc/21/26/10/1059212610.db2.gz LBNOGMZXJBCUTQ-GOSISDBHSA-N -1 3 382.485 3.755 20 0 GHADHM O=C(NCCSCCOc1cccc(Br)c1)c1ccccc1[O-] ZINC001444155985 1059273277 /nfs/dbraw/zinc/27/32/77/1059273277.db2.gz MHYKOORTKUMXAM-UHFFFAOYSA-N -1 3 396.306 3.697 20 0 GHADHM COC(=O)c1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001445699704 1059595932 /nfs/dbraw/zinc/59/59/32/1059595932.db2.gz RPQIADNSZKDDQV-UHFFFAOYSA-N -1 3 389.451 3.894 20 0 GHADHM CCc1ccc(C(=O)NCCCc2cc3c(cc(OC)cc3OC)[nH]2)c([O-])c1 ZINC001446007518 1059677436 /nfs/dbraw/zinc/67/74/36/1059677436.db2.gz BSQXOLOMXCNPLD-UHFFFAOYSA-N -1 3 382.460 3.816 20 0 GHADHM COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(=O)[n-]cn2)c1 ZINC001446788971 1059858572 /nfs/dbraw/zinc/85/85/72/1059858572.db2.gz RHVRPDXUUMEKAX-GHTZIAJQSA-N -1 3 375.428 3.562 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OCC)cc2)c([O-])c1 ZINC001447062318 1059923643 /nfs/dbraw/zinc/92/36/43/1059923643.db2.gz OKQWTGYUGXFDGG-UHFFFAOYSA-N -1 3 387.432 3.765 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC001447274551 1059942690 /nfs/dbraw/zinc/94/26/90/1059942690.db2.gz BZSUXLKORRDYGM-ZDUSSCGKSA-N -1 3 399.285 3.739 20 0 GHADHM C[C@H]1CC(=O)Nc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2N1 ZINC001447279723 1059943695 /nfs/dbraw/zinc/94/36/95/1059943695.db2.gz UYFSPEPWHSHXTJ-VIFPVBQESA-N -1 3 390.237 3.550 20 0 GHADHM CCOc1cc(O)ccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001447653252 1059995995 /nfs/dbraw/zinc/99/59/95/1059995995.db2.gz HYRJUNVKUYUCCK-UHFFFAOYSA-N -1 3 379.438 3.847 20 0 GHADHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001447845545 1060047861 /nfs/dbraw/zinc/04/78/61/1060047861.db2.gz IKVZMBRCUYIDSG-IBGZPJMESA-N -1 3 380.444 3.511 20 0 GHADHM CCc1ccc(C(=O)N(CC(=O)OC)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001448052344 1060091227 /nfs/dbraw/zinc/09/12/27/1060091227.db2.gz HFXRDVFKIXEMJY-UHFFFAOYSA-N -1 3 395.377 3.789 20 0 GHADHM O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc2sccc2c([O-])c1 ZINC001448245522 1060142298 /nfs/dbraw/zinc/14/22/98/1060142298.db2.gz IINQKHSWLNBVPN-OAHLLOKOSA-N -1 3 381.457 3.643 20 0 GHADHM O=C(Nc1ccccc1[C@@H](O)c1ccccn1)c1cc([O-])cc(Br)c1 ZINC001448936526 1060302803 /nfs/dbraw/zinc/30/28/03/1060302803.db2.gz JQJSCTWQOCWZDF-GOSISDBHSA-N -1 3 399.244 3.884 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450052936 1060512655 /nfs/dbraw/zinc/51/26/55/1060512655.db2.gz XCHKASYPHBHSEX-UHFFFAOYSA-N -1 3 394.431 3.818 20 0 GHADHM Cc1ccc(C[C@H](CO)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1C ZINC001450907747 1060714193 /nfs/dbraw/zinc/71/41/93/1060714193.db2.gz OUUKRKWRBPHSNV-JOCHJYFZSA-N -1 3 389.495 3.933 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC001451135496 1060741962 /nfs/dbraw/zinc/74/19/62/1060741962.db2.gz KUPAIBUFMQTHEV-IXDOHACOSA-N -1 3 388.508 3.720 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001452503428 1060951314 /nfs/dbraw/zinc/95/13/14/1060951314.db2.gz KQBLFYZNYFQIRM-ZRDIBKRKSA-N -1 3 377.437 3.957 20 0 GHADHM CC(C)Cc1nsc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC001452961701 1061051212 /nfs/dbraw/zinc/05/12/12/1061051212.db2.gz IGOAAIOCNHUMAM-UHFFFAOYSA-N -1 3 383.499 3.792 20 0 GHADHM CSCC1(CCNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001453074605 1061074165 /nfs/dbraw/zinc/07/41/65/1061074165.db2.gz MPRIQNFSWUYIFB-UHFFFAOYSA-N -1 3 395.322 3.554 20 0 GHADHM CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001453500716 1061143985 /nfs/dbraw/zinc/14/39/85/1061143985.db2.gz DSURRMULMNGMMW-UHFFFAOYSA-N -1 3 398.503 3.970 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H](C4CCCC4)C3)n2CC2CC2)cc(=O)[n-]1 ZINC001346101104 1061360835 /nfs/dbraw/zinc/36/08/35/1061360835.db2.gz FHYVNVGOQUZZDZ-QGZVFWFLSA-N -1 3 382.512 3.566 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001454411595 1061771735 /nfs/dbraw/zinc/77/17/35/1061771735.db2.gz WYCSANKWGHQZDU-ACJLOTCBSA-N -1 3 376.859 3.825 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC=C(c3ccccc3Cl)CC2)c([O-])c1 ZINC001545873590 1062056382 /nfs/dbraw/zinc/05/63/82/1062056382.db2.gz UCQMALSNRNTSHG-UHFFFAOYSA-N -1 3 398.890 3.790 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC001347091122 1062104250 /nfs/dbraw/zinc/10/42/50/1062104250.db2.gz OYCJQJPEFOSZIM-MRXNPFEDSA-N -1 3 376.384 3.597 20 0 GHADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001434920630 1062112123 /nfs/dbraw/zinc/11/21/23/1062112123.db2.gz NFECIJPZVPJWLB-UHFFFAOYSA-N -1 3 394.431 3.804 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001455415878 1062134906 /nfs/dbraw/zinc/13/49/06/1062134906.db2.gz PWNWCSFQWPHGJQ-SFHVURJKSA-N -1 3 396.487 3.792 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)cs2)no1 ZINC001435237129 1062412084 /nfs/dbraw/zinc/41/20/84/1062412084.db2.gz MOUAKKUWBCWDLB-UHFFFAOYSA-N -1 3 397.334 3.856 20 0 GHADHM O=C(NCCc1nccn1C(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001347729749 1062604357 /nfs/dbraw/zinc/60/43/57/1062604357.db2.gz XMTUDRGFTCBIIZ-UHFFFAOYSA-N -1 3 385.414 3.742 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001347754993 1062629231 /nfs/dbraw/zinc/62/92/31/1062629231.db2.gz IHXRGKCRTWBSCW-WIEQDCTASA-N -1 3 380.444 3.507 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456378826 1062647039 /nfs/dbraw/zinc/64/70/39/1062647039.db2.gz CLRFZCKAKNIIGI-IUCAKERBSA-N -1 3 394.319 3.898 20 0 GHADHM CSCc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001456798633 1062860960 /nfs/dbraw/zinc/86/09/60/1062860960.db2.gz FEJHSRBFBNQCLY-UHFFFAOYSA-N -1 3 381.457 3.882 20 0 GHADHM CSCc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001456798633 1062860991 /nfs/dbraw/zinc/86/09/91/1062860991.db2.gz FEJHSRBFBNQCLY-UHFFFAOYSA-N -1 3 381.457 3.882 20 0 GHADHM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(C(=O)OCc3ccccc3)n[n-]1)C2 ZINC001456799982 1062866656 /nfs/dbraw/zinc/86/66/56/1062866656.db2.gz LQZSPIMESYITAJ-GOSISDBHSA-N -1 3 393.468 3.731 20 0 GHADHM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(C(=O)OCc3ccccc3)[n-]n1)C2 ZINC001456799982 1062866666 /nfs/dbraw/zinc/86/66/66/1062866666.db2.gz LQZSPIMESYITAJ-GOSISDBHSA-N -1 3 393.468 3.731 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456934807 1062923506 /nfs/dbraw/zinc/92/35/06/1062923506.db2.gz KDBKYYNKUKAKCL-DZKIICNBSA-N -1 3 389.496 3.892 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456936253 1062923975 /nfs/dbraw/zinc/92/39/75/1062923975.db2.gz NCDXDEUSMQKEBK-DZVNLGKHSA-N -1 3 375.513 3.699 20 0 GHADHM O=C(CCc1ccccc1C(F)(F)F)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456944308 1062926563 /nfs/dbraw/zinc/92/65/63/1062926563.db2.gz BJITTZVMGDQVLY-SHTZXODSSA-N -1 3 393.409 3.976 20 0 GHADHM C[C@H]1CSCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001456949449 1062927553 /nfs/dbraw/zinc/92/75/53/1062927553.db2.gz GWLVQNOYRHJHNY-OXJNMPFZSA-N -1 3 398.528 3.607 20 0 GHADHM CCCCc1nc(C)c(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)s1 ZINC001456950893 1062928464 /nfs/dbraw/zinc/92/84/64/1062928464.db2.gz VDYSFMAFCORUPV-SHTZXODSSA-N -1 3 388.537 3.675 20 0 GHADHM COc1cc(C(=O)[N-]c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)on1 ZINC001457423762 1063171768 /nfs/dbraw/zinc/17/17/68/1063171768.db2.gz VFCQZZSQPSIHGS-UHFFFAOYSA-N -1 3 386.717 3.998 20 0 GHADHM COC(=O)c1nsc([N-]C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 ZINC001436220467 1063303701 /nfs/dbraw/zinc/30/37/01/1063303701.db2.gz PMLMGMRPTZGDJK-UHFFFAOYSA-N -1 3 397.334 3.856 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001457737207 1063335968 /nfs/dbraw/zinc/33/59/68/1063335968.db2.gz XVQNZCFDQASWMJ-JTQLQIEISA-N -1 3 385.798 3.555 20 0 GHADHM O=C([N-]CCSCC(F)(F)F)C(F)(F)c1ccccc1Br ZINC001457993454 1063493458 /nfs/dbraw/zinc/49/34/58/1063493458.db2.gz ZLZAIZNUXUNJOM-UHFFFAOYSA-N -1 3 392.187 3.953 20 0 GHADHM C[C@H](Nc1cc(-c2cccc(Cl)c2)ncn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458458832 1063822667 /nfs/dbraw/zinc/82/26/67/1063822667.db2.gz ZQACEBGQZRNVKF-STQMWFEESA-N -1 3 397.866 3.973 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc(Cl)ccc1OC(F)F ZINC001350018253 1063965326 /nfs/dbraw/zinc/96/53/26/1063965326.db2.gz MCVFGGBQNWCGJN-KXUCPTDWSA-N -1 3 387.782 3.654 20 0 GHADHM Cc1noc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001439429675 1064244560 /nfs/dbraw/zinc/24/45/60/1064244560.db2.gz LVDIKQYVLHSSPY-UHFFFAOYSA-N -1 3 397.472 3.575 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC001463355624 1064278810 /nfs/dbraw/zinc/27/88/10/1064278810.db2.gz GHSMCOBURPXXSO-ZJUUUORDSA-N -1 3 378.441 3.941 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC1CCCC1)c1ccccc1 ZINC001463379087 1064298331 /nfs/dbraw/zinc/29/83/31/1064298331.db2.gz XKIWOAPCHDPISF-INIZCTEOSA-N -1 3 381.929 3.982 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)c2ccc(F)cc2)c(F)c1 ZINC001463383307 1064302104 /nfs/dbraw/zinc/30/21/04/1064302104.db2.gz VACBIIHPFKCTSE-MRXNPFEDSA-N -1 3 383.416 3.571 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@@H](C)[C@@H]1OC ZINC001463425178 1064338885 /nfs/dbraw/zinc/33/88/85/1064338885.db2.gz CKJFNPBRHMKJQS-XYPHTWIQSA-N -1 3 394.562 3.928 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)s1 ZINC001463599916 1064489880 /nfs/dbraw/zinc/48/98/80/1064489880.db2.gz NWOSTMNZJOKZQH-MGCOHNPYSA-N -1 3 393.317 3.683 20 0 GHADHM Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC001463599626 1064489965 /nfs/dbraw/zinc/48/99/65/1064489965.db2.gz SDPWDASYZLSSSL-CQSZACIVSA-N -1 3 399.299 3.773 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(c3ccc(C)c(C)c3)CCC2)c1 ZINC001463624418 1064507789 /nfs/dbraw/zinc/50/77/89/1064507789.db2.gz IKVGBRYXPYNAOF-UHFFFAOYSA-N -1 3 393.530 3.552 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]CCc2ccc(C(F)(F)F)cc2)cc1 ZINC001463626030 1064508732 /nfs/dbraw/zinc/50/87/32/1064508732.db2.gz LGVTYLPGVQSZRV-UHFFFAOYSA-N -1 3 387.304 3.848 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1c(F)cccc1OC(F)(F)F ZINC001463841879 1064663914 /nfs/dbraw/zinc/66/39/14/1064663914.db2.gz FQDDIRLQUJPVIP-GXFFZTMASA-N -1 3 393.333 3.698 20 0 GHADHM COc1ccc2c(c1)OCC(C(=O)Nc1ccc(Br)cc1[O-])=C2 ZINC001464135628 1064849216 /nfs/dbraw/zinc/84/92/16/1064849216.db2.gz IUTKSHARXRZFPW-UHFFFAOYSA-N -1 3 376.206 3.578 20 0 GHADHM CCN(CCNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1C ZINC001464232702 1064919217 /nfs/dbraw/zinc/91/92/17/1064919217.db2.gz JRWRQVBRBHDPNF-UHFFFAOYSA-N -1 3 377.282 3.719 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCCC2)nc1Cl ZINC001464275709 1064938269 /nfs/dbraw/zinc/93/82/69/1064938269.db2.gz VYGJVPBADHEGEY-INIZCTEOSA-N -1 3 385.892 3.813 20 0 GHADHM CCSc1ccccc1CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001464462980 1065025289 /nfs/dbraw/zinc/02/52/89/1065025289.db2.gz MVWQRIWNJBVTPI-UHFFFAOYSA-N -1 3 390.452 3.733 20 0 GHADHM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3cc(C)c(C)s3)on2)c1 ZINC001464644507 1065133816 /nfs/dbraw/zinc/13/38/16/1065133816.db2.gz YCSHGSKDHNQYRQ-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)Nc2ccccc2)c2ccccc21)C(F)(F)F ZINC001465177446 1065439405 /nfs/dbraw/zinc/43/94/05/1065439405.db2.gz LREUKHVZSQJYAJ-ZDUSSCGKSA-N -1 3 377.366 3.891 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])CC(C)C ZINC001465248341 1065496109 /nfs/dbraw/zinc/49/61/09/1065496109.db2.gz PELQFUXHTFJHDS-LJQANCHMSA-N -1 3 383.488 3.743 20 0 GHADHM O=C(NC1CCN(c2cccc(F)c2)CC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001465266478 1065512403 /nfs/dbraw/zinc/51/24/03/1065512403.db2.gz MYYSPXSOHLTTBW-UHFFFAOYSA-N -1 3 399.853 3.719 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000847583196 1065677560 /nfs/dbraw/zinc/67/75/60/1065677560.db2.gz YPTFFSOAEZFUIW-HKUYNNGSSA-N -1 3 381.476 3.568 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001465663669 1065779051 /nfs/dbraw/zinc/77/90/51/1065779051.db2.gz HCOAYRKUYHYRDA-CZUORRHYSA-N -1 3 392.908 3.730 20 0 GHADHM C=CC(=O)Nc1cc(NC(=O)c2cc([O-])cc(Br)c2)ccc1F ZINC001465685139 1065790494 /nfs/dbraw/zinc/79/04/94/1065790494.db2.gz KZCBRIBTGMRFDD-UHFFFAOYSA-N -1 3 379.185 3.671 20 0 GHADHM CCCCCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001465783941 1065854255 /nfs/dbraw/zinc/85/42/55/1065854255.db2.gz WSDLCJKRGHCTLN-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM O=C([N-][C@H]1CCN(c2ncccc2Cl)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC001465875856 1065907145 /nfs/dbraw/zinc/90/71/45/1065907145.db2.gz IPNCSONHJWNAQD-ZDUSSCGKSA-N -1 3 387.764 3.500 20 0 GHADHM C[C@H](NC(=O)Nc1cc(F)ccc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001465883085 1065908841 /nfs/dbraw/zinc/90/88/41/1065908841.db2.gz JCOXXKAUYQYMEH-YFKPBYRVSA-N -1 3 396.142 3.608 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC001465956627 1065937029 /nfs/dbraw/zinc/93/70/29/1065937029.db2.gz QFDQFIDFYPGZCY-KBXCAEBGSA-N -1 3 378.241 3.888 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1[O-] ZINC001466683688 1066255051 /nfs/dbraw/zinc/25/50/51/1066255051.db2.gz VKBPAHIBAKNMNM-QFIPXVFZSA-N -1 3 375.424 3.725 20 0 GHADHM COc1cccc([C@H](C)C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001466817940 1066334240 /nfs/dbraw/zinc/33/42/40/1066334240.db2.gz YXYJXOMFLYKSNK-JTQLQIEISA-N -1 3 397.212 3.748 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC(F)F)nc3)c2)n1 ZINC001357280600 1067030870 /nfs/dbraw/zinc/03/08/70/1067030870.db2.gz KPNCPXQNGNAHCH-UHFFFAOYSA-N -1 3 386.358 3.660 20 0 GHADHM CCOCCCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)c1cccc(CC)c1 ZINC001357462751 1067108300 /nfs/dbraw/zinc/10/83/00/1067108300.db2.gz BYNQWMGAZLYRCD-UHFFFAOYSA-N -1 3 396.495 3.506 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001357926495 1067335555 /nfs/dbraw/zinc/33/55/55/1067335555.db2.gz YQVQKSICWKKIMT-KRWDZBQOSA-N -1 3 395.912 3.720 20 0 GHADHM Cc1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1C(F)(F)F ZINC001467871239 1067509227 /nfs/dbraw/zinc/50/92/27/1067509227.db2.gz COVFOKQWRVSDMO-VXGBXAGGSA-N -1 3 395.381 3.508 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2noc3c2CCc2ccccc2-3)c1O ZINC001467879792 1067512328 /nfs/dbraw/zinc/51/23/28/1067512328.db2.gz VVAOJLTXTQFSHI-UHFFFAOYSA-N -1 3 398.802 3.838 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)[n-]n1 ZINC000537546525 1067734280 /nfs/dbraw/zinc/73/42/80/1067734280.db2.gz PXDQMTGUABIDLG-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)n[n-]1 ZINC000537546525 1067734286 /nfs/dbraw/zinc/73/42/86/1067734286.db2.gz PXDQMTGUABIDLG-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM COc1ccc2c(=O)[nH]n(C(=O)c3cc(OCc4ccccc4)ccc3[O-])c2c1 ZINC001468576530 1067777175 /nfs/dbraw/zinc/77/71/75/1067777175.db2.gz HRLFBTQQUDVYHO-UHFFFAOYSA-N -1 3 390.395 3.724 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@]1(C)CCCC[C@H]1C ZINC001468742342 1067856332 /nfs/dbraw/zinc/85/63/32/1067856332.db2.gz WORACEFHBVVBHS-DMZKTXOQSA-N -1 3 395.459 3.691 20 0 GHADHM CCc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c([O-])c1 ZINC000849540849 1067902180 /nfs/dbraw/zinc/90/21/80/1067902180.db2.gz JGZWHNRXNHMIPA-NRFANRHFSA-N -1 3 397.519 3.801 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001469163118 1068004428 /nfs/dbraw/zinc/00/44/28/1068004428.db2.gz WMFRTBMYDDKENX-BETUJISGSA-N -1 3 376.403 3.532 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C3CCC3)C2)ccc1F ZINC001470265757 1068654091 /nfs/dbraw/zinc/65/40/91/1068654091.db2.gz VIVLJYAAEUAEDA-INIZCTEOSA-N -1 3 396.528 3.555 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1Cl ZINC001460643593 1069051353 /nfs/dbraw/zinc/05/13/53/1069051353.db2.gz GZPQPSLEYLZCQV-UHFFFAOYSA-N -1 3 396.821 3.685 20 0 GHADHM O=C([N-]CC[C@@H]1CN(CCCOC(F)(F)F)c2ccccc21)C(F)(F)F ZINC001460653342 1069058892 /nfs/dbraw/zinc/05/88/92/1069058892.db2.gz SFBUZBKPTKNPMY-LLVKDONJSA-N -1 3 384.320 3.585 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(-c2ccccn2)ccc1Cl ZINC001460787948 1069178974 /nfs/dbraw/zinc/17/89/74/1069178974.db2.gz RWQWNEQKDUIPQK-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(-c2ccccn2)ccc1Cl ZINC001460787948 1069178979 /nfs/dbraw/zinc/17/89/79/1069178979.db2.gz RWQWNEQKDUIPQK-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1C(F)(F)F ZINC001460803858 1069191156 /nfs/dbraw/zinc/19/11/56/1069191156.db2.gz YNKUHWJSOQUUCV-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1C(F)(F)F ZINC001460803858 1069191158 /nfs/dbraw/zinc/19/11/58/1069191158.db2.gz YNKUHWJSOQUUCV-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM C/C=C\C[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001470793209 1072742775 /nfs/dbraw/zinc/74/27/75/1072742775.db2.gz YNZNDVPRMMRJRC-YVACAVLKSA-N -1 3 396.528 3.721 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c([O-])c1 ZINC001471481901 1073097038 /nfs/dbraw/zinc/09/70/38/1073097038.db2.gz OOJAECITBUVPMV-UHFFFAOYSA-N -1 3 399.466 3.589 20 0 GHADHM O=C([N-]Cc1nc2c(cccc2F)[nH]1)C(F)(F)c1cccc(Br)c1 ZINC001471504865 1073108347 /nfs/dbraw/zinc/10/83/47/1073108347.db2.gz WWEHCRNEFNEOFO-UHFFFAOYSA-N -1 3 398.182 3.873 20 0 GHADHM C[C@@H](C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccc(C(F)(F)F)cc1 ZINC001471676786 1073175010 /nfs/dbraw/zinc/17/50/10/1073175010.db2.gz GFJDRDNKHLVXMM-SNVBAGLBSA-N -1 3 377.366 3.724 20 0 GHADHM O=C(NC[C@]12C[C@H]1CCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001472001559 1073299608 /nfs/dbraw/zinc/29/96/08/1073299608.db2.gz XBPOFQJHZVXGRT-QRWLVFNGSA-N -1 3 388.464 3.547 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109944 1073337196 /nfs/dbraw/zinc/33/71/96/1073337196.db2.gz YZJLOGNHWWUEPH-GFCCVEGCSA-N -1 3 390.365 3.894 20 0 GHADHM C[C@@H]1Cc2cc(NC(=O)c3c[n-]c4ccc(Br)cc4c3=O)ccc2O1 ZINC001472163915 1073353499 /nfs/dbraw/zinc/35/34/99/1073353499.db2.gz FPHJYERFKLUXLP-SNVBAGLBSA-N -1 3 399.244 3.866 20 0 GHADHM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001472230115 1073376689 /nfs/dbraw/zinc/37/66/89/1073376689.db2.gz ONTQATWPZDZPHI-UHFFFAOYSA-N -1 3 398.337 3.500 20 0 GHADHM CSCc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1F ZINC001472289105 1073401232 /nfs/dbraw/zinc/40/12/32/1073401232.db2.gz XHFFCUICBXKKPW-NNUKFRKNSA-N -1 3 375.469 3.641 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC=CCCC2)c1 ZINC001472304215 1073410061 /nfs/dbraw/zinc/41/00/61/1073410061.db2.gz YNBYCZKHKWTBSR-HNNXBMFYSA-N -1 3 383.448 3.807 20 0 GHADHM O=C(NC1(Cc2cccc(F)c2)CCC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472577253 1073558215 /nfs/dbraw/zinc/55/82/15/1073558215.db2.gz YHDAJEIOENMGNH-UHFFFAOYSA-N -1 3 386.373 3.841 20 0 GHADHM O=C([N-]CC[C@@H]1CN(Cc2ccc3c(c2)COC3)c2ccccc21)C(F)(F)F ZINC001473727705 1074111725 /nfs/dbraw/zinc/11/17/25/1074111725.db2.gz MKENZEPLOLQWOR-OAHLLOKOSA-N -1 3 390.405 3.889 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)cc1F ZINC001474777138 1074557044 /nfs/dbraw/zinc/55/70/44/1074557044.db2.gz HUMFUWIVOAVSCX-UHFFFAOYSA-N -1 3 396.242 3.801 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccns1)c1ccccc1Cl ZINC001475012096 1074682550 /nfs/dbraw/zinc/68/25/50/1074682550.db2.gz CBCBGKBHYMVLRW-QGZVFWFLSA-N -1 3 394.905 3.873 20 0 GHADHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC001475195777 1074779762 /nfs/dbraw/zinc/77/97/62/1074779762.db2.gz TVHBLRXNAUQTII-CPFIRTDXSA-N -1 3 385.913 3.742 20 0 GHADHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC001475195855 1074779936 /nfs/dbraw/zinc/77/99/36/1074779936.db2.gz TVHBLRXNAUQTII-WFTPILKQSA-N -1 3 385.913 3.742 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2F)CCCC1)c1cccnc1Cl ZINC001475212605 1074787887 /nfs/dbraw/zinc/78/78/87/1074787887.db2.gz VMIYNHNETVLAFF-UHFFFAOYSA-N -1 3 386.851 3.804 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc2ccccc2c1)c1cnc(Cl)c(F)c1 ZINC001475241826 1074800991 /nfs/dbraw/zinc/80/09/91/1074800991.db2.gz XLVBVGCUUMBPEP-DOTOQJQBSA-N -1 3 376.840 3.862 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCCC(C)(C)C ZINC001475246820 1074803355 /nfs/dbraw/zinc/80/33/55/1074803355.db2.gz YLCMUPQBWUDANB-MRXNPFEDSA-N -1 3 389.945 3.560 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCCCC1)c1ccc(F)cc1F ZINC001475394264 1074859502 /nfs/dbraw/zinc/85/95/02/1074859502.db2.gz QUFBYGHRBQVPHY-IBGZPJMESA-N -1 3 395.471 3.927 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2C)s1 ZINC001475476196 1074888865 /nfs/dbraw/zinc/88/88/65/1074888865.db2.gz ZVHUQEUOIHSBBP-IINYFYTJSA-N -1 3 386.336 3.826 20 0 GHADHM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)C1 ZINC001475545085 1074910123 /nfs/dbraw/zinc/91/01/23/1074910123.db2.gz OYUMINGWXIBHGG-KYZUINATSA-N -1 3 384.748 3.583 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001475583084 1074920466 /nfs/dbraw/zinc/92/04/66/1074920466.db2.gz LOZYEMHYIXLHND-KDOFPFPSSA-N -1 3 396.915 3.668 20 0 GHADHM O=S(=O)([N-]Cc1cccc2[nH]ccc21)c1c2ncsc2ccc1Cl ZINC001475613445 1074927637 /nfs/dbraw/zinc/92/76/37/1074927637.db2.gz KRNXMWFDICTSIR-UHFFFAOYSA-N -1 3 377.878 3.910 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cccc(F)c1)c1sc2ccccc2c1Cl ZINC001475621291 1074929259 /nfs/dbraw/zinc/92/92/59/1074929259.db2.gz FBZQAXPRHLTDEX-UHFFFAOYSA-N -1 3 397.880 3.996 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001475661215 1074995049 /nfs/dbraw/zinc/99/50/49/1074995049.db2.gz UBYPWIKLCLBXHP-CABZTGNLSA-N -1 3 392.226 3.772 20 0 GHADHM Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000023988224 207284912 /nfs/dbraw/zinc/28/49/12/207284912.db2.gz KGSRIJLGWBWRMM-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc3cc(F)ccc3c2C)s1 ZINC000502079361 564991671 /nfs/dbraw/zinc/99/16/71/564991671.db2.gz YBSJKDDKCJFCDR-UHFFFAOYSA-N -1 3 379.438 3.558 20 0 GHADHM O=C(C=Cc1ccccc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737802996 598834299 /nfs/dbraw/zinc/83/42/99/598834299.db2.gz ZJAIFLYIGPSKSK-FMIVXFBMSA-N -1 3 387.468 3.925 20 0 GHADHM O=C(C=Cc1ccsc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737807076 598834306 /nfs/dbraw/zinc/83/43/06/598834306.db2.gz NNVQJRKFRFKJRP-DAXSKMNVSA-N -1 3 393.497 3.986 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc(Cl)o1 ZINC000738113114 598834787 /nfs/dbraw/zinc/83/47/87/598834787.db2.gz VBRYPKXVIAZYNU-UHFFFAOYSA-N -1 3 385.836 3.772 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736686194 598835538 /nfs/dbraw/zinc/83/55/38/598835538.db2.gz ONRJOQBGIZMNGS-GOSISDBHSA-N -1 3 395.463 3.545 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736686194 598835540 /nfs/dbraw/zinc/83/55/40/598835540.db2.gz ONRJOQBGIZMNGS-GOSISDBHSA-N -1 3 395.463 3.545 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115820 598852118 /nfs/dbraw/zinc/85/21/18/598852118.db2.gz JYNCHFXKBQSSLM-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115820 598852119 /nfs/dbraw/zinc/85/21/19/598852119.db2.gz JYNCHFXKBQSSLM-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM CC(C)[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000735734500 598855187 /nfs/dbraw/zinc/85/51/87/598855187.db2.gz MHASNCLPQQTJPR-FQEVSTJZSA-N -1 3 395.463 3.751 20 0 GHADHM CC(C)[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000735734500 598855189 /nfs/dbraw/zinc/85/51/89/598855189.db2.gz MHASNCLPQQTJPR-FQEVSTJZSA-N -1 3 395.463 3.751 20 0 GHADHM CC(C)c1nnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000735953525 598861414 /nfs/dbraw/zinc/86/14/14/598861414.db2.gz VTSXVNXIVNZWDF-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1nnc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000735953525 598861416 /nfs/dbraw/zinc/86/14/16/598861416.db2.gz VTSXVNXIVNZWDF-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000737955990 598864889 /nfs/dbraw/zinc/86/48/89/598864889.db2.gz RFVMNGIXRBEDRX-RTBURBONSA-N -1 3 380.423 3.818 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000737955990 598864891 /nfs/dbraw/zinc/86/48/91/598864891.db2.gz RFVMNGIXRBEDRX-RTBURBONSA-N -1 3 380.423 3.818 20 0 GHADHM CCSc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664935 598865383 /nfs/dbraw/zinc/86/53/83/598865383.db2.gz AZLOKOXTRJQGKU-GOSISDBHSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@@H](NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCCC1 ZINC000736114352 598876717 /nfs/dbraw/zinc/87/67/17/598876717.db2.gz BLBUTVLHWNVKBK-GFCCVEGCSA-N -1 3 397.508 3.614 20 0 GHADHM C[C@@H](NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCCC1 ZINC000736114352 598876719 /nfs/dbraw/zinc/87/67/19/598876719.db2.gz BLBUTVLHWNVKBK-GFCCVEGCSA-N -1 3 397.508 3.614 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(Cl)cc1Cl ZINC000736040958 598885071 /nfs/dbraw/zinc/88/50/71/598885071.db2.gz SNZJOJSMRQRCMV-SNVBAGLBSA-N -1 3 393.230 3.798 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(Cl)cc1Cl ZINC000736040958 598885073 /nfs/dbraw/zinc/88/50/73/598885073.db2.gz SNZJOJSMRQRCMV-SNVBAGLBSA-N -1 3 393.230 3.798 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000736040565 598886463 /nfs/dbraw/zinc/88/64/63/598886463.db2.gz QAVSILONMAMHPF-LLVKDONJSA-N -1 3 392.337 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000736040565 598886465 /nfs/dbraw/zinc/88/64/65/598886465.db2.gz QAVSILONMAMHPF-LLVKDONJSA-N -1 3 392.337 3.510 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccc(COC2CCCC2)cc1 ZINC000738417783 598887703 /nfs/dbraw/zinc/88/77/03/598887703.db2.gz CAJAGYFFWHKPOC-UHFFFAOYSA-N -1 3 389.463 3.586 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccc(COC2CCCC2)cc1 ZINC000738417783 598887705 /nfs/dbraw/zinc/88/77/05/598887705.db2.gz CAJAGYFFWHKPOC-UHFFFAOYSA-N -1 3 389.463 3.586 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737280354 598904098 /nfs/dbraw/zinc/90/40/98/598904098.db2.gz TXLZZYGJMLXKRO-UHFFFAOYSA-N -1 3 385.783 3.744 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737280354 598904100 /nfs/dbraw/zinc/90/41/00/598904100.db2.gz TXLZZYGJMLXKRO-UHFFFAOYSA-N -1 3 385.783 3.744 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2sc(C)cc2OC(F)F)s1 ZINC000736678675 598904410 /nfs/dbraw/zinc/90/44/10/598904410.db2.gz DLKWQNDWNMVQTD-UHFFFAOYSA-N -1 3 385.421 3.714 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2sc(C)cc2OC(F)F)s1 ZINC000736678675 598904411 /nfs/dbraw/zinc/90/44/11/598904411.db2.gz DLKWQNDWNMVQTD-UHFFFAOYSA-N -1 3 385.421 3.714 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735701001 598905965 /nfs/dbraw/zinc/90/59/65/598905965.db2.gz IVWAXXOCQGPNRZ-ZDUSSCGKSA-N -1 3 384.509 3.781 20 0 GHADHM CCN(CC(C)C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736511925 598906436 /nfs/dbraw/zinc/90/64/36/598906436.db2.gz GDDMLPSGYVMBMP-UHFFFAOYSA-N -1 3 384.509 3.783 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736404823 598920940 /nfs/dbraw/zinc/92/09/40/598920940.db2.gz BNTNXHLDDSNPLB-QGZVFWFLSA-N -1 3 393.495 3.965 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736404823 598920943 /nfs/dbraw/zinc/92/09/43/598920943.db2.gz BNTNXHLDDSNPLB-QGZVFWFLSA-N -1 3 393.495 3.965 20 0 GHADHM CC(C)(C)CCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735602929 598925893 /nfs/dbraw/zinc/92/58/93/598925893.db2.gz RYPDFYGMMDUMGT-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC(C)(C)CCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735602929 598925895 /nfs/dbraw/zinc/92/58/95/598925895.db2.gz RYPDFYGMMDUMGT-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM C[C@H](CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000735975649 598930249 /nfs/dbraw/zinc/93/02/49/598930249.db2.gz NNHHZIZWZMMCQE-MRXNPFEDSA-N -1 3 396.539 3.558 20 0 GHADHM C[C@H](CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000735975649 598930252 /nfs/dbraw/zinc/93/02/52/598930252.db2.gz NNHHZIZWZMMCQE-MRXNPFEDSA-N -1 3 396.539 3.558 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737426052 598934672 /nfs/dbraw/zinc/93/46/72/598934672.db2.gz IGOLQNYBHLMKTH-SFHVURJKSA-N -1 3 393.516 3.501 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737426052 598934674 /nfs/dbraw/zinc/93/46/74/598934674.db2.gz IGOLQNYBHLMKTH-SFHVURJKSA-N -1 3 393.516 3.501 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000736400445 598952736 /nfs/dbraw/zinc/95/27/36/598952736.db2.gz OGHJROGVUFAXRX-DGCLKSJQSA-N -1 3 386.525 3.560 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736268762 598979918 /nfs/dbraw/zinc/97/99/18/598979918.db2.gz FIUZFSCIWGEHAM-MGPUTAFESA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736247939 598985810 /nfs/dbraw/zinc/98/58/10/598985810.db2.gz HQICFNYWUVBPSP-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736469767 599001383 /nfs/dbraw/zinc/00/13/83/599001383.db2.gz CRGDYLRTTHCDHE-SFHVURJKSA-N -1 3 399.520 3.727 20 0 GHADHM CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736469767 599001385 /nfs/dbraw/zinc/00/13/85/599001385.db2.gz CRGDYLRTTHCDHE-SFHVURJKSA-N -1 3 399.520 3.727 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000736123857 599004238 /nfs/dbraw/zinc/00/42/38/599004238.db2.gz RIJSLHDNSPTWNE-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737089196 599009080 /nfs/dbraw/zinc/00/90/80/599009080.db2.gz QUEJNGYTXCWNJW-UHFFFAOYSA-N -1 3 399.520 3.668 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737089196 599009082 /nfs/dbraw/zinc/00/90/82/599009082.db2.gz QUEJNGYTXCWNJW-UHFFFAOYSA-N -1 3 399.520 3.668 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(F)cc1Cl ZINC000737032459 599009508 /nfs/dbraw/zinc/00/95/08/599009508.db2.gz LUTOPFMVKWSCAG-UHFFFAOYSA-N -1 3 394.859 3.980 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(F)cc1Cl ZINC000737032459 599009510 /nfs/dbraw/zinc/00/95/10/599009510.db2.gz LUTOPFMVKWSCAG-UHFFFAOYSA-N -1 3 394.859 3.980 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736363022 599012230 /nfs/dbraw/zinc/01/22/30/599012230.db2.gz MCUAITVSNMSRIX-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736363022 599012232 /nfs/dbraw/zinc/01/22/32/599012232.db2.gz MCUAITVSNMSRIX-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737820905 599016347 /nfs/dbraw/zinc/01/63/47/599016347.db2.gz RZFSBARWEJAJNW-GFCCVEGCSA-N -1 3 385.374 3.527 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737820905 599016348 /nfs/dbraw/zinc/01/63/48/599016348.db2.gz RZFSBARWEJAJNW-GFCCVEGCSA-N -1 3 385.374 3.527 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737337440 599019910 /nfs/dbraw/zinc/01/99/10/599019910.db2.gz MVUPNOREEOLWIO-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737337440 599019912 /nfs/dbraw/zinc/01/99/12/599019912.db2.gz MVUPNOREEOLWIO-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM CCC(CC)c1cc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)on1 ZINC000820897346 599045432 /nfs/dbraw/zinc/04/54/32/599045432.db2.gz AOLKOGXOOHTXBG-UHFFFAOYSA-N -1 3 381.362 3.784 20 0 GHADHM CCC(CC)c1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)on1 ZINC000820897346 599045436 /nfs/dbraw/zinc/04/54/36/599045436.db2.gz AOLKOGXOOHTXBG-UHFFFAOYSA-N -1 3 381.362 3.784 20 0 GHADHM COc1cccc(-c2ccc(CNc3nnc(C)c(C)c3-c3nnn[n-]3)cc2)c1 ZINC000821853870 599054852 /nfs/dbraw/zinc/05/48/52/599054852.db2.gz BVIGYJKRVLBBPJ-UHFFFAOYSA-N -1 3 387.447 3.561 20 0 GHADHM COc1cccc(-c2ccc(CNc3nnc(C)c(C)c3-c3nn[n-]n3)cc2)c1 ZINC000821853870 599054855 /nfs/dbraw/zinc/05/48/55/599054855.db2.gz BVIGYJKRVLBBPJ-UHFFFAOYSA-N -1 3 387.447 3.561 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000738162368 599069997 /nfs/dbraw/zinc/06/99/97/599069997.db2.gz BYWPGPXYVGSOCL-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000738162368 599070000 /nfs/dbraw/zinc/07/00/00/599070000.db2.gz BYWPGPXYVGSOCL-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738138978 599074760 /nfs/dbraw/zinc/07/47/60/599074760.db2.gz JMTLXCKOTCGBRX-CHWSQXEVSA-N -1 3 377.395 3.623 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738138978 599074763 /nfs/dbraw/zinc/07/47/63/599074763.db2.gz JMTLXCKOTCGBRX-CHWSQXEVSA-N -1 3 377.395 3.623 20 0 GHADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736351635 599077006 /nfs/dbraw/zinc/07/70/06/599077006.db2.gz QDRWMCUMFLVWOM-BEFAXECRSA-N -1 3 393.491 3.507 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328202 599082921 /nfs/dbraw/zinc/08/29/21/599082921.db2.gz FCNNODSFTKPCTN-QGZVFWFLSA-N -1 3 397.504 3.755 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328202 599082924 /nfs/dbraw/zinc/08/29/24/599082924.db2.gz FCNNODSFTKPCTN-QGZVFWFLSA-N -1 3 397.504 3.755 20 0 GHADHM CCC(CC)(CC)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736333933 599088982 /nfs/dbraw/zinc/08/89/82/599088982.db2.gz CHCDVISDDWRGPB-UHFFFAOYSA-N -1 3 383.452 3.737 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820384561 599091832 /nfs/dbraw/zinc/09/18/32/599091832.db2.gz IDKGBVRJCOOINT-GFCCVEGCSA-N -1 3 381.440 3.591 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820384561 599091836 /nfs/dbraw/zinc/09/18/36/599091836.db2.gz IDKGBVRJCOOINT-GFCCVEGCSA-N -1 3 381.440 3.591 20 0 GHADHM CC(C)[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735723529 599108412 /nfs/dbraw/zinc/10/84/12/599108412.db2.gz ZEWQNTREMHAKQC-GOSISDBHSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735723529 599108418 /nfs/dbraw/zinc/10/84/18/599108418.db2.gz ZEWQNTREMHAKQC-GOSISDBHSA-N -1 3 385.468 3.611 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822233084 599108684 /nfs/dbraw/zinc/10/86/84/599108684.db2.gz HSCFHKCMRUFUDD-PBHICJAKSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822233084 599108685 /nfs/dbraw/zinc/10/86/85/599108685.db2.gz HSCFHKCMRUFUDD-PBHICJAKSA-N -1 3 384.871 3.803 20 0 GHADHM O=c1cc(CSc2ccccc2-c2nnn[n-]2)c2cc3c(cc2o1)CCC3 ZINC000738380609 599111156 /nfs/dbraw/zinc/11/11/56/599111156.db2.gz PCBRTHZZBUBPEN-UHFFFAOYSA-N -1 3 376.441 3.754 20 0 GHADHM O=c1cc(CSc2ccccc2-c2nn[n-]n2)c2cc3c(cc2o1)CCC3 ZINC000738380609 599111158 /nfs/dbraw/zinc/11/11/58/599111158.db2.gz PCBRTHZZBUBPEN-UHFFFAOYSA-N -1 3 376.441 3.754 20 0 GHADHM COc1ccc(NC(=O)[C@@H](Sc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737102968 599112000 /nfs/dbraw/zinc/11/20/00/599112000.db2.gz PVUXWNHHNBWYSR-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccc(NC(=O)[C@@H](Sc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737102968 599112002 /nfs/dbraw/zinc/11/20/02/599112002.db2.gz PVUXWNHHNBWYSR-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM C/C(=C\C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)(C)C ZINC000819766135 599142821 /nfs/dbraw/zinc/14/28/21/599142821.db2.gz VOPNTGBABLPGEU-FMIVXFBMSA-N -1 3 381.402 3.750 20 0 GHADHM C/C(=C\C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)(C)C ZINC000819766135 599142822 /nfs/dbraw/zinc/14/28/22/599142822.db2.gz VOPNTGBABLPGEU-FMIVXFBMSA-N -1 3 381.402 3.750 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1Cl ZINC000820087134 599146110 /nfs/dbraw/zinc/14/61/10/599146110.db2.gz LWBMDYWMTWVHTN-UHFFFAOYSA-N -1 3 387.846 3.958 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1Cl ZINC000820087134 599146112 /nfs/dbraw/zinc/14/61/12/599146112.db2.gz LWBMDYWMTWVHTN-UHFFFAOYSA-N -1 3 387.846 3.958 20 0 GHADHM Cc1cc2cc(C(=O)Nc3ccnn3-c3ccc(-c4nn[n-]n4)cc3)oc2cc1C ZINC000822212674 599153170 /nfs/dbraw/zinc/15/31/70/599153170.db2.gz BIPFBBCIOUKOKO-UHFFFAOYSA-N -1 3 399.414 3.668 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/C1CC1 ZINC000822205775 599153192 /nfs/dbraw/zinc/15/31/92/599153192.db2.gz IESRLGOUIDAXCU-JXMROGBWSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/C1CC1 ZINC000822205775 599153196 /nfs/dbraw/zinc/15/31/96/599153196.db2.gz IESRLGOUIDAXCU-JXMROGBWSA-N -1 3 377.423 3.814 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000736480574 599160253 /nfs/dbraw/zinc/16/02/53/599160253.db2.gz RRUDWDOMEWCNFI-OAHLLOKOSA-N -1 3 381.455 3.938 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000736480574 599160256 /nfs/dbraw/zinc/16/02/56/599160256.db2.gz RRUDWDOMEWCNFI-OAHLLOKOSA-N -1 3 381.455 3.938 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502112 599160762 /nfs/dbraw/zinc/16/07/62/599160762.db2.gz KCCMRJUSZNPORA-DAXOMENPSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502112 599160763 /nfs/dbraw/zinc/16/07/63/599160763.db2.gz KCCMRJUSZNPORA-DAXOMENPSA-N -1 3 397.429 3.858 20 0 GHADHM c1ccc2nc(SCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)ccc2c1 ZINC000738441662 599161121 /nfs/dbraw/zinc/16/11/21/599161121.db2.gz LSGYQHUWZHWQOP-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1ccc2nc(SCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)ccc2c1 ZINC000738441662 599161123 /nfs/dbraw/zinc/16/11/23/599161123.db2.gz LSGYQHUWZHWQOP-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233492 599161718 /nfs/dbraw/zinc/16/17/18/599161718.db2.gz PYOYVFNMPREHFX-RTWAWAEBSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233492 599161719 /nfs/dbraw/zinc/16/17/19/599161719.db2.gz PYOYVFNMPREHFX-RTWAWAEBSA-N -1 3 389.503 3.902 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233228 599161901 /nfs/dbraw/zinc/16/19/01/599161901.db2.gz KWLCMFBCJVNXLL-PMACEKPBSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233228 599161902 /nfs/dbraw/zinc/16/19/02/599161902.db2.gz KWLCMFBCJVNXLL-PMACEKPBSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc(CCNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737336444 599167253 /nfs/dbraw/zinc/16/72/53/599167253.db2.gz DBBKLPBKLCWAHH-UHFFFAOYSA-N -1 3 399.454 3.940 20 0 GHADHM Cc1ccc(CCNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737336444 599167256 /nfs/dbraw/zinc/16/72/56/599167256.db2.gz DBBKLPBKLCWAHH-UHFFFAOYSA-N -1 3 399.454 3.940 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCc2ccccc21 ZINC000735737123 599173143 /nfs/dbraw/zinc/17/31/43/599173143.db2.gz ZECYXUDWFPHHNZ-GOSISDBHSA-N -1 3 397.479 3.712 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCc2ccccc21 ZINC000735737123 599173146 /nfs/dbraw/zinc/17/31/46/599173146.db2.gz ZECYXUDWFPHHNZ-GOSISDBHSA-N -1 3 397.479 3.712 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736235968 599175697 /nfs/dbraw/zinc/17/56/97/599175697.db2.gz QMGDPDAMIMOROL-SJKOYZFVSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736235968 599175699 /nfs/dbraw/zinc/17/56/99/599175699.db2.gz QMGDPDAMIMOROL-SJKOYZFVSA-N -1 3 382.468 3.786 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737338111 599176294 /nfs/dbraw/zinc/17/62/94/599176294.db2.gz NFFOPADKAVSZGV-JTQLQIEISA-N -1 3 390.900 3.729 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737338111 599176297 /nfs/dbraw/zinc/17/62/97/599176297.db2.gz NFFOPADKAVSZGV-JTQLQIEISA-N -1 3 390.900 3.729 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC2(C1)CCCCC2 ZINC000738400271 599176634 /nfs/dbraw/zinc/17/66/34/599176634.db2.gz CKXUDEGMIVHVOP-UHFFFAOYSA-N -1 3 376.917 3.873 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC2(C1)CCCCC2 ZINC000738400271 599176636 /nfs/dbraw/zinc/17/66/36/599176636.db2.gz CKXUDEGMIVHVOP-UHFFFAOYSA-N -1 3 376.917 3.873 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208071 599181273 /nfs/dbraw/zinc/18/12/73/599181273.db2.gz JYOPSKOYHDRZTB-RYUDHWBXSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208071 599181275 /nfs/dbraw/zinc/18/12/75/599181275.db2.gz JYOPSKOYHDRZTB-RYUDHWBXSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100562 599181463 /nfs/dbraw/zinc/18/14/63/599181463.db2.gz KDFUUSHTTATRIQ-HOTGVXAUSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100562 599181465 /nfs/dbraw/zinc/18/14/65/599181465.db2.gz KDFUUSHTTATRIQ-HOTGVXAUSA-N -1 3 388.258 3.593 20 0 GHADHM Cc1ncc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)n1 ZINC000737490894 599185473 /nfs/dbraw/zinc/18/54/73/599185473.db2.gz AHZJBEGRSHDLAF-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ncc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)n1 ZINC000737490894 599185475 /nfs/dbraw/zinc/18/54/75/599185475.db2.gz AHZJBEGRSHDLAF-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735680102 599186613 /nfs/dbraw/zinc/18/66/13/599186613.db2.gz RWOFRNVWAWFHAL-UHFFFAOYSA-N -1 3 381.411 3.627 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735680102 599186615 /nfs/dbraw/zinc/18/66/15/599186615.db2.gz RWOFRNVWAWFHAL-UHFFFAOYSA-N -1 3 381.411 3.627 20 0 GHADHM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821153437 599211495 /nfs/dbraw/zinc/21/14/95/599211495.db2.gz CDPFYLPMOSRCCY-HXUWFJFHSA-N -1 3 395.482 3.664 20 0 GHADHM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821153437 599211497 /nfs/dbraw/zinc/21/14/97/599211497.db2.gz CDPFYLPMOSRCCY-HXUWFJFHSA-N -1 3 395.482 3.664 20 0 GHADHM CC[C@@H](C)C(=O)OCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736319592 599214118 /nfs/dbraw/zinc/21/41/18/599214118.db2.gz NDAWVDZNAXPBTL-CQSZACIVSA-N -1 3 396.447 3.544 20 0 GHADHM CC[C@@H](C)C(=O)OCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736319592 599214119 /nfs/dbraw/zinc/21/41/19/599214119.db2.gz NDAWVDZNAXPBTL-CQSZACIVSA-N -1 3 396.447 3.544 20 0 GHADHM CCOCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736623501 599217000 /nfs/dbraw/zinc/21/70/00/599217000.db2.gz ICXQOEPATGBJHV-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM CCOCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736623501 599217002 /nfs/dbraw/zinc/21/70/02/599217002.db2.gz ICXQOEPATGBJHV-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736328314 599218700 /nfs/dbraw/zinc/21/87/00/599218700.db2.gz WELYXJOMAUWITG-CQSZACIVSA-N -1 3 380.452 3.708 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736328314 599218702 /nfs/dbraw/zinc/21/87/02/599218702.db2.gz WELYXJOMAUWITG-CQSZACIVSA-N -1 3 380.452 3.708 20 0 GHADHM CC(C)SCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820183780 599219786 /nfs/dbraw/zinc/21/97/86/599219786.db2.gz LJOPZNPTURYTSH-UHFFFAOYSA-N -1 3 387.440 3.878 20 0 GHADHM CC(C)SCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820183780 599219788 /nfs/dbraw/zinc/21/97/88/599219788.db2.gz LJOPZNPTURYTSH-UHFFFAOYSA-N -1 3 387.440 3.878 20 0 GHADHM COC[C@@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736970891 599220669 /nfs/dbraw/zinc/22/06/69/599220669.db2.gz RMGQYJUVNHJJRS-LLVKDONJSA-N -1 3 388.811 3.504 20 0 GHADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000736281897 599222931 /nfs/dbraw/zinc/22/29/31/599222931.db2.gz UYBWSOICWFGTRN-DNVCBOLYSA-N -1 3 393.516 3.611 20 0 GHADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736281897 599222933 /nfs/dbraw/zinc/22/29/33/599222933.db2.gz UYBWSOICWFGTRN-DNVCBOLYSA-N -1 3 393.516 3.611 20 0 GHADHM COc1cccc(NC(=O)CCS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821872339 599224124 /nfs/dbraw/zinc/22/41/24/599224124.db2.gz KXYRCEUSESVKDB-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM COc1cccc(NC(=O)CCS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821872339 599224127 /nfs/dbraw/zinc/22/41/27/599224127.db2.gz KXYRCEUSESVKDB-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360138 607260738 /nfs/dbraw/zinc/26/07/38/607260738.db2.gz XHTAOVMIOMOVFB-ACJLOTCBSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360138 607260739 /nfs/dbraw/zinc/26/07/39/607260739.db2.gz XHTAOVMIOMOVFB-ACJLOTCBSA-N -1 3 376.464 3.650 20 0 GHADHM CCc1ccc(CNC(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821487091 599226072 /nfs/dbraw/zinc/22/60/72/599226072.db2.gz QJMNAYSSPXQNOO-GFCCVEGCSA-N -1 3 387.534 3.601 20 0 GHADHM CCc1ccc(CNC(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821487091 599226074 /nfs/dbraw/zinc/22/60/74/599226074.db2.gz QJMNAYSSPXQNOO-GFCCVEGCSA-N -1 3 387.534 3.601 20 0 GHADHM CS[C@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000737170380 599226383 /nfs/dbraw/zinc/22/63/83/599226383.db2.gz JSCBZJPNELBMTN-GJZGRUSLSA-N -1 3 393.516 3.938 20 0 GHADHM CS[C@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000737170380 599226386 /nfs/dbraw/zinc/22/63/86/599226386.db2.gz JSCBZJPNELBMTN-GJZGRUSLSA-N -1 3 393.516 3.938 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823331155 607265216 /nfs/dbraw/zinc/26/52/16/607265216.db2.gz BERQLAFQCZWWNP-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000823331155 607265217 /nfs/dbraw/zinc/26/52/17/607265217.db2.gz BERQLAFQCZWWNP-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM Cc1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822107811 607268207 /nfs/dbraw/zinc/26/82/07/607268207.db2.gz DKZHQIDWSYQPFA-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822107811 607268208 /nfs/dbraw/zinc/26/82/08/607268208.db2.gz DKZHQIDWSYQPFA-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737960982 599234935 /nfs/dbraw/zinc/23/49/35/599234935.db2.gz KNEVMBQCLRKAFA-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737960982 599234936 /nfs/dbraw/zinc/23/49/36/599234936.db2.gz KNEVMBQCLRKAFA-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735873478 599248300 /nfs/dbraw/zinc/24/83/00/599248300.db2.gz AYHXRKMKUUGUAE-QXMHVHEDSA-N -1 3 398.470 3.865 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735873478 599248301 /nfs/dbraw/zinc/24/83/01/599248301.db2.gz AYHXRKMKUUGUAE-QXMHVHEDSA-N -1 3 398.470 3.865 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nccs2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375183 599248814 /nfs/dbraw/zinc/24/88/14/599248814.db2.gz ZKEHYZSGIPBUAV-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nccs2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375183 599248815 /nfs/dbraw/zinc/24/88/15/599248815.db2.gz ZKEHYZSGIPBUAV-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822084684 607281380 /nfs/dbraw/zinc/28/13/80/607281380.db2.gz NQABICFEWOUJDH-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822084684 607281381 /nfs/dbraw/zinc/28/13/81/607281381.db2.gz NQABICFEWOUJDH-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM COc1ccc([C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C(C)C)cc1 ZINC000821777825 607288726 /nfs/dbraw/zinc/28/87/26/607288726.db2.gz MQVQFFAYSBZVQM-SFHVURJKSA-N -1 3 380.452 3.703 20 0 GHADHM COc1ccc([C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C(C)C)cc1 ZINC000821777825 607288727 /nfs/dbraw/zinc/28/87/27/607288727.db2.gz MQVQFFAYSBZVQM-SFHVURJKSA-N -1 3 380.452 3.703 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822084982 607286513 /nfs/dbraw/zinc/28/65/13/607286513.db2.gz UVFKZULCBIGAPR-DOMZBBRYSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822084982 607286514 /nfs/dbraw/zinc/28/65/14/607286514.db2.gz UVFKZULCBIGAPR-DOMZBBRYSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(OC(C)(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822102542 607292579 /nfs/dbraw/zinc/29/25/79/607292579.db2.gz BBJSJUFEOPOOGG-UHFFFAOYSA-N -1 3 380.452 3.674 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(OC(C)(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822102542 607292580 /nfs/dbraw/zinc/29/25/80/607292580.db2.gz BBJSJUFEOPOOGG-UHFFFAOYSA-N -1 3 380.452 3.674 20 0 GHADHM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887624 599262755 /nfs/dbraw/zinc/26/27/55/599262755.db2.gz JPDOBASVBIGXIY-INIZCTEOSA-N -1 3 392.507 3.985 20 0 GHADHM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887624 599262759 /nfs/dbraw/zinc/26/27/59/599262759.db2.gz JPDOBASVBIGXIY-INIZCTEOSA-N -1 3 392.507 3.985 20 0 GHADHM CCCOc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000821134254 607308851 /nfs/dbraw/zinc/30/88/51/607308851.db2.gz QIDNIDBWHNAMLD-UHFFFAOYSA-N -1 3 383.843 3.569 20 0 GHADHM CCCOc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000821134254 607308852 /nfs/dbraw/zinc/30/88/52/607308852.db2.gz QIDNIDBWHNAMLD-UHFFFAOYSA-N -1 3 383.843 3.569 20 0 GHADHM COc1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)cc1-c1nnn[n-]1 ZINC000821821781 607309023 /nfs/dbraw/zinc/30/90/23/607309023.db2.gz WKQDCJCWCICYQO-UHFFFAOYSA-N -1 3 397.442 3.802 20 0 GHADHM COc1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)cc1-c1nn[n-]n1 ZINC000821821781 607309024 /nfs/dbraw/zinc/30/90/24/607309024.db2.gz WKQDCJCWCICYQO-UHFFFAOYSA-N -1 3 397.442 3.802 20 0 GHADHM O=C(Nc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1)c1cccs1 ZINC000823368407 607309491 /nfs/dbraw/zinc/30/94/91/607309491.db2.gz WYNXDIFNZWDYJC-UHFFFAOYSA-N -1 3 382.474 3.854 20 0 GHADHM OCc1ccccc1NCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823727232 607311290 /nfs/dbraw/zinc/31/12/90/607311290.db2.gz WATUEVPRIXJTFM-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM OCc1ccccc1NCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823727232 607311291 /nfs/dbraw/zinc/31/12/91/607311291.db2.gz WATUEVPRIXJTFM-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM CCc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)o1 ZINC000736684950 599265966 /nfs/dbraw/zinc/26/59/66/599265966.db2.gz IJCNVFZPFFALCS-LBPRGKRZSA-N -1 3 378.358 3.777 20 0 GHADHM CCc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)o1 ZINC000736684950 599265967 /nfs/dbraw/zinc/26/59/67/599265967.db2.gz IJCNVFZPFFALCS-LBPRGKRZSA-N -1 3 378.358 3.777 20 0 GHADHM COc1ccc(CNc2cccc(C[S@](=O)C(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821672 607317346 /nfs/dbraw/zinc/31/73/46/607317346.db2.gz QGVKCZHHWQXKFZ-NDEPHWFRSA-N -1 3 399.520 3.535 20 0 GHADHM COc1ccc(CNc2cccc(C[S@](=O)C(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821672 607317347 /nfs/dbraw/zinc/31/73/47/607317347.db2.gz QGVKCZHHWQXKFZ-NDEPHWFRSA-N -1 3 399.520 3.535 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccccc1OC(F)F ZINC000737025790 599268595 /nfs/dbraw/zinc/26/85/95/599268595.db2.gz NDQHUZOKCQBPKB-UHFFFAOYSA-N -1 3 382.754 3.709 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccccc1OC(F)F ZINC000737025790 599268597 /nfs/dbraw/zinc/26/85/97/599268597.db2.gz NDQHUZOKCQBPKB-UHFFFAOYSA-N -1 3 382.754 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820166390 599273678 /nfs/dbraw/zinc/27/36/78/599273678.db2.gz XWPBXTKONDVQQO-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820166390 599273680 /nfs/dbraw/zinc/27/36/80/599273680.db2.gz XWPBXTKONDVQQO-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736187769 599276149 /nfs/dbraw/zinc/27/61/49/599276149.db2.gz IPUCELBWKANANV-CQSZACIVSA-N -1 3 392.463 3.627 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736187769 599276152 /nfs/dbraw/zinc/27/61/52/599276152.db2.gz IPUCELBWKANANV-CQSZACIVSA-N -1 3 392.463 3.627 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000736487130 599276688 /nfs/dbraw/zinc/27/66/88/599276688.db2.gz CXOBFPOJVRTCAG-UHFFFAOYSA-N -1 3 390.369 3.960 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820021221 599278144 /nfs/dbraw/zinc/27/81/44/599278144.db2.gz QUZQXTCYFVLGSQ-KRWDZBQOSA-N -1 3 386.406 3.534 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820021221 599278146 /nfs/dbraw/zinc/27/81/46/599278146.db2.gz QUZQXTCYFVLGSQ-KRWDZBQOSA-N -1 3 386.406 3.534 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccc(C)cc1C ZINC000736489387 599279052 /nfs/dbraw/zinc/27/90/52/599279052.db2.gz ZFJIZZQPSFSWPK-UHFFFAOYSA-N -1 3 394.479 3.713 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000737292174 599281169 /nfs/dbraw/zinc/28/11/69/599281169.db2.gz SUGBYSWZYSPMSR-LJQANCHMSA-N -1 3 391.479 3.610 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000737292174 599281172 /nfs/dbraw/zinc/28/11/72/599281172.db2.gz SUGBYSWZYSPMSR-LJQANCHMSA-N -1 3 391.479 3.610 20 0 GHADHM CCc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821487049 599286179 /nfs/dbraw/zinc/28/61/79/599286179.db2.gz OTJMGHSTHHEEJL-UHFFFAOYSA-N -1 3 396.398 3.831 20 0 GHADHM CCc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821487049 599286180 /nfs/dbraw/zinc/28/61/80/599286180.db2.gz OTJMGHSTHHEEJL-UHFFFAOYSA-N -1 3 396.398 3.831 20 0 GHADHM Cc1nc([C@H]2CCCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)C2)sc1C ZINC000737292115 599286894 /nfs/dbraw/zinc/28/68/94/599286894.db2.gz SANOGPWJISRZAJ-HNNXBMFYSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1nc([C@H]2CCCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)C2)sc1C ZINC000737292115 599286895 /nfs/dbraw/zinc/28/68/95/599286895.db2.gz SANOGPWJISRZAJ-HNNXBMFYSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1csc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822408984 599290342 /nfs/dbraw/zinc/29/03/42/599290342.db2.gz LJKAKUSTZJOQOM-QMMMGPOBSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1csc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822408984 599290343 /nfs/dbraw/zinc/29/03/43/599290343.db2.gz LJKAKUSTZJOQOM-QMMMGPOBSA-N -1 3 397.386 3.533 20 0 GHADHM CCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000736460429 599291316 /nfs/dbraw/zinc/29/13/16/599291316.db2.gz KYUSUBXYIKELNV-LBPRGKRZSA-N -1 3 391.541 3.834 20 0 GHADHM CCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000736460429 599291318 /nfs/dbraw/zinc/29/13/18/599291318.db2.gz KYUSUBXYIKELNV-LBPRGKRZSA-N -1 3 391.541 3.834 20 0 GHADHM O=C(CCc1ccco1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737861359 598231122 /nfs/dbraw/zinc/23/11/22/598231122.db2.gz UQRPBETXNXGMLM-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccco1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737861359 598231123 /nfs/dbraw/zinc/23/11/23/598231123.db2.gz UQRPBETXNXGMLM-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM CCC1(C)CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000736397318 598231371 /nfs/dbraw/zinc/23/13/71/598231371.db2.gz RHWBSEICZJPJTR-UHFFFAOYSA-N -1 3 386.525 3.513 20 0 GHADHM C[C@H](NC(=O)CCCCCc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100347 598256741 /nfs/dbraw/zinc/25/67/41/598256741.db2.gz KBKINSBINMUJLC-HNNXBMFYSA-N -1 3 379.464 3.553 20 0 GHADHM C[C@H](NC(=O)CCCCCc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100347 598256759 /nfs/dbraw/zinc/25/67/59/598256759.db2.gz KBKINSBINMUJLC-HNNXBMFYSA-N -1 3 379.464 3.553 20 0 GHADHM C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736190430 598259663 /nfs/dbraw/zinc/25/96/63/598259663.db2.gz FBUOJYODERPEOC-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736190430 598259664 /nfs/dbraw/zinc/25/96/64/598259664.db2.gz FBUOJYODERPEOC-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000737063191 598265435 /nfs/dbraw/zinc/26/54/35/598265435.db2.gz OKEXVZINOXKLMT-GOSISDBHSA-N -1 3 378.436 3.538 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000737063191 598265436 /nfs/dbraw/zinc/26/54/36/598265436.db2.gz OKEXVZINOXKLMT-GOSISDBHSA-N -1 3 378.436 3.538 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738165819 598266441 /nfs/dbraw/zinc/26/64/41/598266441.db2.gz DZZUBKIIUQZSDY-KRWDZBQOSA-N -1 3 384.390 3.808 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738165819 598266443 /nfs/dbraw/zinc/26/64/43/598266443.db2.gz DZZUBKIIUQZSDY-KRWDZBQOSA-N -1 3 384.390 3.808 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735964191 598266514 /nfs/dbraw/zinc/26/65/14/598266514.db2.gz WQPUFRUVDRIECM-ZDUSSCGKSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735964191 598266515 /nfs/dbraw/zinc/26/65/15/598266515.db2.gz WQPUFRUVDRIECM-ZDUSSCGKSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736263426 598267367 /nfs/dbraw/zinc/26/73/67/598267367.db2.gz QQFHHVXZPRUGOL-ACJLOTCBSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736263426 598267368 /nfs/dbraw/zinc/26/73/68/598267368.db2.gz QQFHHVXZPRUGOL-ACJLOTCBSA-N -1 3 378.436 3.969 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736816927 598276712 /nfs/dbraw/zinc/27/67/12/598276712.db2.gz PKQJUZFZMJQDTK-UHFFFAOYSA-N -1 3 393.904 3.802 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736816927 598276713 /nfs/dbraw/zinc/27/67/13/598276713.db2.gz PKQJUZFZMJQDTK-UHFFFAOYSA-N -1 3 393.904 3.802 20 0 GHADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000736739547 598277017 /nfs/dbraw/zinc/27/70/17/598277017.db2.gz QCNTZRMRHKFFGM-INIZCTEOSA-N -1 3 379.468 3.574 20 0 GHADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000736739547 598277019 /nfs/dbraw/zinc/27/70/19/598277019.db2.gz QCNTZRMRHKFFGM-INIZCTEOSA-N -1 3 379.468 3.574 20 0 GHADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000736739548 598277127 /nfs/dbraw/zinc/27/71/27/598277127.db2.gz QCNTZRMRHKFFGM-MRXNPFEDSA-N -1 3 379.468 3.574 20 0 GHADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000736739548 598277128 /nfs/dbraw/zinc/27/71/28/598277128.db2.gz QCNTZRMRHKFFGM-MRXNPFEDSA-N -1 3 379.468 3.574 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000735662309 598277591 /nfs/dbraw/zinc/27/75/91/598277591.db2.gz UTUAXNCOHLEIEV-UHFFFAOYSA-N -1 3 391.382 3.669 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000735662309 598277593 /nfs/dbraw/zinc/27/75/93/598277593.db2.gz UTUAXNCOHLEIEV-UHFFFAOYSA-N -1 3 391.382 3.669 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741626 598280061 /nfs/dbraw/zinc/28/00/61/598280061.db2.gz GZVNXHPGADPIRE-UHFFFAOYSA-N -1 3 381.411 3.604 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741626 598280063 /nfs/dbraw/zinc/28/00/63/598280063.db2.gz GZVNXHPGADPIRE-UHFFFAOYSA-N -1 3 381.411 3.604 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737464798 598282548 /nfs/dbraw/zinc/28/25/48/598282548.db2.gz YNCDLKFPQVCUKK-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737464798 598282549 /nfs/dbraw/zinc/28/25/49/598282549.db2.gz YNCDLKFPQVCUKK-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736554651 598292342 /nfs/dbraw/zinc/29/23/42/598292342.db2.gz AKUKFPLEQFCTMG-UHFFFAOYSA-N -1 3 392.797 3.852 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736554651 598292343 /nfs/dbraw/zinc/29/23/43/598292343.db2.gz AKUKFPLEQFCTMG-UHFFFAOYSA-N -1 3 392.797 3.852 20 0 GHADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736695292 598292345 /nfs/dbraw/zinc/29/23/45/598292345.db2.gz KOCZBXDRTATRSJ-MRXNPFEDSA-N -1 3 398.854 3.728 20 0 GHADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736695292 598292346 /nfs/dbraw/zinc/29/23/46/598292346.db2.gz KOCZBXDRTATRSJ-MRXNPFEDSA-N -1 3 398.854 3.728 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccnc(Oc2ccccc2)c1 ZINC000738152125 598295913 /nfs/dbraw/zinc/29/59/13/598295913.db2.gz OHJMGTWLIHHRPB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccnc(Oc2ccccc2)c1 ZINC000738152125 598295915 /nfs/dbraw/zinc/29/59/15/598295915.db2.gz OHJMGTWLIHHRPB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736327481 598297341 /nfs/dbraw/zinc/29/73/41/598297341.db2.gz LIGUQCDXGWTXLL-WONIAPNHSA-N -1 3 393.447 3.705 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736327481 598297343 /nfs/dbraw/zinc/29/73/43/598297343.db2.gz LIGUQCDXGWTXLL-WONIAPNHSA-N -1 3 393.447 3.705 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000738150389 598298345 /nfs/dbraw/zinc/29/83/45/598298345.db2.gz KHZUMNBTQNBARN-UHFFFAOYSA-N -1 3 389.309 3.835 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1sccc1-c1nn[n-]n1 ZINC000738150389 598298347 /nfs/dbraw/zinc/29/83/47/598298347.db2.gz KHZUMNBTQNBARN-UHFFFAOYSA-N -1 3 389.309 3.835 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)ccc1C(C)C ZINC000737278463 598308234 /nfs/dbraw/zinc/30/82/34/598308234.db2.gz JADLSPJQHSOPQR-CQSZACIVSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1C(C)C ZINC000737278463 598308236 /nfs/dbraw/zinc/30/82/36/598308236.db2.gz JADLSPJQHSOPQR-CQSZACIVSA-N -1 3 397.454 3.868 20 0 GHADHM CCCOc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c(OCCC)c1 ZINC000736490291 598314491 /nfs/dbraw/zinc/31/44/91/598314491.db2.gz KOSUEPDVTLGGTF-UHFFFAOYSA-N -1 3 399.470 3.873 20 0 GHADHM CCCOc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(OCCC)c1 ZINC000736490291 598314492 /nfs/dbraw/zinc/31/44/92/598314492.db2.gz KOSUEPDVTLGGTF-UHFFFAOYSA-N -1 3 399.470 3.873 20 0 GHADHM S=C(NCCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402188 598319261 /nfs/dbraw/zinc/31/92/61/598319261.db2.gz ZNSYHOKLTMCYDB-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM S=C(NCCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402188 598319263 /nfs/dbraw/zinc/31/92/63/598319263.db2.gz ZNSYHOKLTMCYDB-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM CCN(C(=S)N[C@@H](C)c1cccs1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507932 598322063 /nfs/dbraw/zinc/32/20/63/598322063.db2.gz HCLDNLFUUHJXNB-QWHCGFSZSA-N -1 3 386.550 3.947 20 0 GHADHM CCN(C(=S)N[C@@H](C)c1cccs1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507932 598322065 /nfs/dbraw/zinc/32/20/65/598322065.db2.gz HCLDNLFUUHJXNB-QWHCGFSZSA-N -1 3 386.550 3.947 20 0 GHADHM CC(C)CC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735798699 598324888 /nfs/dbraw/zinc/32/48/88/598324888.db2.gz YILGBFOAKIJXHT-CQSZACIVSA-N -1 3 383.452 3.593 20 0 GHADHM CC(C)CC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735798699 598324889 /nfs/dbraw/zinc/32/48/89/598324889.db2.gz YILGBFOAKIJXHT-CQSZACIVSA-N -1 3 383.452 3.593 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000736211543 598325128 /nfs/dbraw/zinc/32/51/28/598325128.db2.gz OIALIZNJDWBDML-GOSISDBHSA-N -1 3 394.454 3.618 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000736211543 598325129 /nfs/dbraw/zinc/32/51/29/598325129.db2.gz OIALIZNJDWBDML-GOSISDBHSA-N -1 3 394.454 3.618 20 0 GHADHM Cc1cccc(OC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737399951 598326265 /nfs/dbraw/zinc/32/62/65/598326265.db2.gz QBCQGZFIHIJDPY-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM Cc1cccc(OC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737399951 598326267 /nfs/dbraw/zinc/32/62/67/598326267.db2.gz QBCQGZFIHIJDPY-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccc(F)c1F ZINC000738173372 598327813 /nfs/dbraw/zinc/32/78/13/598327813.db2.gz PKSYTRHOEIPMLN-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Cc1cc(C)cc(CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000822196833 607352428 /nfs/dbraw/zinc/35/24/28/607352428.db2.gz YFGPMDOWPMMVFQ-UHFFFAOYSA-N -1 3 377.492 3.853 20 0 GHADHM Cc1cc(C)cc(CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000822196833 607352429 /nfs/dbraw/zinc/35/24/29/607352429.db2.gz YFGPMDOWPMMVFQ-UHFFFAOYSA-N -1 3 377.492 3.853 20 0 GHADHM O=C(c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)N1Cc2ccccc2C1 ZINC000738274705 598360142 /nfs/dbraw/zinc/36/01/42/598360142.db2.gz WUGHIAAQTDUMLC-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM O=C(c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N1Cc2ccccc2C1 ZINC000738274705 598360144 /nfs/dbraw/zinc/36/01/44/598360144.db2.gz WUGHIAAQTDUMLC-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1F ZINC000735973064 598364719 /nfs/dbraw/zinc/36/47/19/598364719.db2.gz CAGLAMQSOCNRGA-CQSZACIVSA-N -1 3 379.439 3.691 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1F ZINC000735973064 598364720 /nfs/dbraw/zinc/36/47/20/598364720.db2.gz CAGLAMQSOCNRGA-CQSZACIVSA-N -1 3 379.439 3.691 20 0 GHADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000738221462 598367248 /nfs/dbraw/zinc/36/72/48/598367248.db2.gz IWUNRLOKWAETGZ-UHFFFAOYSA-N -1 3 384.779 3.502 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736199777 598382975 /nfs/dbraw/zinc/38/29/75/598382975.db2.gz AJNVSYBNLRJRLD-CYBMUJFWSA-N -1 3 396.882 3.684 20 0 GHADHM Cc1nc(Cl)cc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737480307 598389946 /nfs/dbraw/zinc/38/99/46/598389946.db2.gz MSGBMKRMKHWQMH-UHFFFAOYSA-N -1 3 393.838 3.941 20 0 GHADHM Cc1nc(Cl)cc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737480307 598389948 /nfs/dbraw/zinc/38/99/48/598389948.db2.gz MSGBMKRMKHWQMH-UHFFFAOYSA-N -1 3 393.838 3.941 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(F)c2)cc1 ZINC000106764433 598393513 /nfs/dbraw/zinc/39/35/13/598393513.db2.gz GWKYPSCBFKHEEB-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(F)c2)cc1 ZINC000106764433 598393515 /nfs/dbraw/zinc/39/35/15/598393515.db2.gz GWKYPSCBFKHEEB-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM O=C(CC1=CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000737809790 598396872 /nfs/dbraw/zinc/39/68/72/598396872.db2.gz UCHQAXUWSJMLHC-UHFFFAOYSA-N -1 3 379.386 3.648 20 0 GHADHM O=C(CC1=CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000737809790 598396873 /nfs/dbraw/zinc/39/68/73/598396873.db2.gz UCHQAXUWSJMLHC-UHFFFAOYSA-N -1 3 379.386 3.648 20 0 GHADHM C[C@H](NC(=O)c1sccc1SC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123783 598420517 /nfs/dbraw/zinc/42/05/17/598420517.db2.gz DFHMVZWPGJQLQZ-QMMMGPOBSA-N -1 3 381.433 3.734 20 0 GHADHM C[C@H](NC(=O)c1sccc1SC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123783 598420519 /nfs/dbraw/zinc/42/05/19/598420519.db2.gz DFHMVZWPGJQLQZ-QMMMGPOBSA-N -1 3 381.433 3.734 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCCc1nc2c(s1)CCCC2 ZINC000737637843 598422426 /nfs/dbraw/zinc/42/24/26/598422426.db2.gz DXCDGOPEWYFJQG-UHFFFAOYSA-N -1 3 376.436 3.525 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCCc1nc2c(s1)CCCC2 ZINC000737637843 598422429 /nfs/dbraw/zinc/42/24/29/598422429.db2.gz DXCDGOPEWYFJQG-UHFFFAOYSA-N -1 3 376.436 3.525 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2ncsc2c1 ZINC000735874015 598425731 /nfs/dbraw/zinc/42/57/31/598425731.db2.gz LDUVFAOSMMQMKI-UHFFFAOYSA-N -1 3 393.476 3.919 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2ncsc2c1 ZINC000735874015 598425732 /nfs/dbraw/zinc/42/57/32/598425732.db2.gz LDUVFAOSMMQMKI-UHFFFAOYSA-N -1 3 393.476 3.919 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000736240678 598429709 /nfs/dbraw/zinc/42/97/09/598429709.db2.gz WFPPTPCQWGASOV-RDTXWAMCSA-N -1 3 394.479 3.703 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000736240678 598429711 /nfs/dbraw/zinc/42/97/11/598429711.db2.gz WFPPTPCQWGASOV-RDTXWAMCSA-N -1 3 394.479 3.703 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736389770 598432728 /nfs/dbraw/zinc/43/27/28/598432728.db2.gz FHJUSCRBPMNKNS-SFHVURJKSA-N -1 3 380.448 3.891 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736389770 598432730 /nfs/dbraw/zinc/43/27/30/598432730.db2.gz FHJUSCRBPMNKNS-SFHVURJKSA-N -1 3 380.448 3.891 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736452301 598433026 /nfs/dbraw/zinc/43/30/26/598433026.db2.gz DZFNGXYBRJROOQ-OAHLLOKOSA-N -1 3 393.495 3.986 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452301 598433028 /nfs/dbraw/zinc/43/30/28/598433028.db2.gz DZFNGXYBRJROOQ-OAHLLOKOSA-N -1 3 393.495 3.986 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1 ZINC000737074941 598436788 /nfs/dbraw/zinc/43/67/88/598436788.db2.gz ZNXKGNHBSKTRHM-NEPJUHHUSA-N -1 3 397.504 3.804 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1 ZINC000737074941 598436789 /nfs/dbraw/zinc/43/67/89/598436789.db2.gz ZNXKGNHBSKTRHM-NEPJUHHUSA-N -1 3 397.504 3.804 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000737072511 598437014 /nfs/dbraw/zinc/43/70/14/598437014.db2.gz LBAXJMMOUDDZNQ-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000737072511 598437016 /nfs/dbraw/zinc/43/70/16/598437016.db2.gz LBAXJMMOUDDZNQ-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1cc2c(cc1Cl)OCCO2 ZINC000737648070 598439990 /nfs/dbraw/zinc/43/99/90/598439990.db2.gz HBMKAOJKKSZCIW-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1cc2c(cc1Cl)OCCO2 ZINC000737648070 598439992 /nfs/dbraw/zinc/43/99/92/598439992.db2.gz HBMKAOJKKSZCIW-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccccc2Cl)n1 ZINC000738116008 598443392 /nfs/dbraw/zinc/44/33/92/598443392.db2.gz GCDGLDQUSGRIHZ-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccccc2Cl)n1 ZINC000738116008 598443393 /nfs/dbraw/zinc/44/33/93/598443393.db2.gz GCDGLDQUSGRIHZ-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM CC(C)(C)SCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735643823 598454233 /nfs/dbraw/zinc/45/42/33/598454233.db2.gz SQZJOBVTDZNPCG-UHFFFAOYSA-N -1 3 381.505 3.795 20 0 GHADHM CC(C)(C)SCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735643823 598454235 /nfs/dbraw/zinc/45/42/35/598454235.db2.gz SQZJOBVTDZNPCG-UHFFFAOYSA-N -1 3 381.505 3.795 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000737662816 598458028 /nfs/dbraw/zinc/45/80/28/598458028.db2.gz ZNJOLTDJBFZPEU-HNNXBMFYSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1nn[n-]n1 ZINC000737662816 598458029 /nfs/dbraw/zinc/45/80/29/598458029.db2.gz ZNJOLTDJBFZPEU-HNNXBMFYSA-N -1 3 394.237 3.891 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000736637594 598467459 /nfs/dbraw/zinc/46/74/59/598467459.db2.gz WLKNPJAIMGDNDJ-KQYVJACZSA-N -1 3 395.438 3.696 20 0 GHADHM CC(C)c1csc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000735939279 598467670 /nfs/dbraw/zinc/46/76/70/598467670.db2.gz MWSQRWMBDGZBJG-UHFFFAOYSA-N -1 3 383.481 3.643 20 0 GHADHM CC(C)c1csc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000735939279 598467671 /nfs/dbraw/zinc/46/76/71/598467671.db2.gz MWSQRWMBDGZBJG-UHFFFAOYSA-N -1 3 383.481 3.643 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735736006 598472548 /nfs/dbraw/zinc/47/25/48/598472548.db2.gz RFKUNUODSKUHKF-SFHVURJKSA-N -1 3 382.489 3.868 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735736006 598472550 /nfs/dbraw/zinc/47/25/50/598472550.db2.gz RFKUNUODSKUHKF-SFHVURJKSA-N -1 3 382.489 3.868 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737797187 598475984 /nfs/dbraw/zinc/47/59/84/598475984.db2.gz DUVPLCSAASASQZ-YFHOEESVSA-N -1 3 394.866 3.772 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737797187 598475986 /nfs/dbraw/zinc/47/59/86/598475986.db2.gz DUVPLCSAASASQZ-YFHOEESVSA-N -1 3 394.866 3.772 20 0 GHADHM CC(C)c1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000735923646 598479480 /nfs/dbraw/zinc/47/94/80/598479480.db2.gz NUNIXMPPWOUJEO-UHFFFAOYSA-N -1 3 390.491 3.864 20 0 GHADHM CC(C)c1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000735923646 598479482 /nfs/dbraw/zinc/47/94/82/598479482.db2.gz NUNIXMPPWOUJEO-UHFFFAOYSA-N -1 3 390.491 3.864 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736365965 598480186 /nfs/dbraw/zinc/48/01/86/598480186.db2.gz XRIDFSISXMHZAW-LJQANCHMSA-N -1 3 376.464 3.692 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736365965 598480187 /nfs/dbraw/zinc/48/01/87/598480187.db2.gz XRIDFSISXMHZAW-LJQANCHMSA-N -1 3 376.464 3.692 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737068059 598484537 /nfs/dbraw/zinc/48/45/37/598484537.db2.gz ZEFYTQYTGRRHNT-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737068059 598484538 /nfs/dbraw/zinc/48/45/38/598484538.db2.gz ZEFYTQYTGRRHNT-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736676141 598490883 /nfs/dbraw/zinc/49/08/83/598490883.db2.gz APXTWKCAXMXJMA-AWEZNQCLSA-N -1 3 378.432 3.696 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736676141 598490884 /nfs/dbraw/zinc/49/08/84/598490884.db2.gz APXTWKCAXMXJMA-AWEZNQCLSA-N -1 3 378.432 3.696 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737513628 598492430 /nfs/dbraw/zinc/49/24/30/598492430.db2.gz QRFZMJGEALIVDL-INIZCTEOSA-N -1 3 396.495 3.573 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737513628 598492433 /nfs/dbraw/zinc/49/24/33/598492433.db2.gz QRFZMJGEALIVDL-INIZCTEOSA-N -1 3 396.495 3.573 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736685600 598498376 /nfs/dbraw/zinc/49/83/76/598498376.db2.gz HNLVTWIJTZUUCQ-OAHLLOKOSA-N -1 3 395.532 3.582 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736685600 598498378 /nfs/dbraw/zinc/49/83/78/598498378.db2.gz HNLVTWIJTZUUCQ-OAHLLOKOSA-N -1 3 395.532 3.582 20 0 GHADHM C[C@H](Sc1ccnc2ccccc21)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736192745 598503529 /nfs/dbraw/zinc/50/35/29/598503529.db2.gz NDYVJJXRKLGRQR-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@H](Sc1ccnc2ccccc21)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736192745 598503530 /nfs/dbraw/zinc/50/35/30/598503530.db2.gz NDYVJJXRKLGRQR-LBPRGKRZSA-N -1 3 376.445 3.534 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccc(F)cc3-c3nnn[n-]3)n2)cc1 ZINC000737651198 598512321 /nfs/dbraw/zinc/51/23/21/598512321.db2.gz QTPTUSOQYYEDJZ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccc(F)cc3-c3nn[n-]n3)n2)cc1 ZINC000737651198 598512323 /nfs/dbraw/zinc/51/23/23/598512323.db2.gz QTPTUSOQYYEDJZ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM CCc1c(C)sc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1-c1nnn[n-]1 ZINC000736669374 598516220 /nfs/dbraw/zinc/51/62/20/598516220.db2.gz GFPVQBDOQUDUKF-UHFFFAOYSA-N -1 3 385.468 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1-c1nn[n-]n1 ZINC000736669374 598516222 /nfs/dbraw/zinc/51/62/22/598516222.db2.gz GFPVQBDOQUDUKF-UHFFFAOYSA-N -1 3 385.468 3.999 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737453112 598517417 /nfs/dbraw/zinc/51/74/17/598517417.db2.gz MKEKFGPJZWQNJW-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737453112 598517419 /nfs/dbraw/zinc/51/74/19/598517419.db2.gz MKEKFGPJZWQNJW-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(Br)c2)c1-c1nnn[n-]1 ZINC000736679292 598518240 /nfs/dbraw/zinc/51/82/40/598518240.db2.gz QTNZTUFDGVYVQF-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(Br)c2)c1-c1nn[n-]n1 ZINC000736679292 598518242 /nfs/dbraw/zinc/51/82/42/598518242.db2.gz QTNZTUFDGVYVQF-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736352670 598534487 /nfs/dbraw/zinc/53/44/87/598534487.db2.gz UXGZGZOVIVHBQA-IBGZPJMESA-N -1 3 390.491 3.562 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736352670 598534489 /nfs/dbraw/zinc/53/44/89/598534489.db2.gz UXGZGZOVIVHBQA-IBGZPJMESA-N -1 3 390.491 3.562 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736188820 598537377 /nfs/dbraw/zinc/53/73/77/598537377.db2.gz QFXDUUMELWNVKL-DIFFPNOSSA-N -1 3 384.823 3.518 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736188820 598537379 /nfs/dbraw/zinc/53/73/79/598537379.db2.gz QFXDUUMELWNVKL-DIFFPNOSSA-N -1 3 384.823 3.518 20 0 GHADHM O=C(Nc1cccc(F)c1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738183204 598541275 /nfs/dbraw/zinc/54/12/75/598541275.db2.gz JRCZBFYFUFJSSV-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM CCCCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736441530 598555553 /nfs/dbraw/zinc/55/55/53/598555553.db2.gz RMIGQKUWADDOMD-LJQANCHMSA-N -1 3 378.480 3.988 20 0 GHADHM CCCCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736441530 598555555 /nfs/dbraw/zinc/55/55/55/598555555.db2.gz RMIGQKUWADDOMD-LJQANCHMSA-N -1 3 378.480 3.988 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735827095 598561355 /nfs/dbraw/zinc/56/13/55/598561355.db2.gz DZBWRHUCYHCYKJ-UHFFFAOYSA-N -1 3 382.415 3.614 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735827095 598561357 /nfs/dbraw/zinc/56/13/57/598561357.db2.gz DZBWRHUCYHCYKJ-UHFFFAOYSA-N -1 3 382.415 3.614 20 0 GHADHM CCN(C(=O)CNc1cccc(Cl)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504595 598564929 /nfs/dbraw/zinc/56/49/29/598564929.db2.gz GRXOSKAIYKUVGT-CYBMUJFWSA-N -1 3 384.871 3.542 20 0 GHADHM CCN(C(=O)CNc1cccc(Cl)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504595 598564930 /nfs/dbraw/zinc/56/49/30/598564930.db2.gz GRXOSKAIYKUVGT-CYBMUJFWSA-N -1 3 384.871 3.542 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737446236 598565885 /nfs/dbraw/zinc/56/58/85/598565885.db2.gz OODDIBWEBXDYDP-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737446236 598565886 /nfs/dbraw/zinc/56/58/86/598565886.db2.gz OODDIBWEBXDYDP-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000738191940 598573886 /nfs/dbraw/zinc/57/38/86/598573886.db2.gz OMNPZQYYXUCQMM-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000738191940 598573888 /nfs/dbraw/zinc/57/38/88/598573888.db2.gz OMNPZQYYXUCQMM-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737090505 598577585 /nfs/dbraw/zinc/57/75/85/598577585.db2.gz QRAFBZRILOYHKE-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737090505 598577586 /nfs/dbraw/zinc/57/75/86/598577586.db2.gz QRAFBZRILOYHKE-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM CC/C=C(\C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736408689 598591794 /nfs/dbraw/zinc/59/17/94/598591794.db2.gz GGXWDYGXFGELFK-WLRTZDKTSA-N -1 3 381.411 3.880 20 0 GHADHM CC/C=C(\C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736408689 598591796 /nfs/dbraw/zinc/59/17/96/598591796.db2.gz GGXWDYGXFGELFK-WLRTZDKTSA-N -1 3 381.411 3.880 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737422148 598593796 /nfs/dbraw/zinc/59/37/96/598593796.db2.gz LJBZATGJZZUCQF-UHFFFAOYSA-N -1 3 395.532 3.546 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737422148 598593797 /nfs/dbraw/zinc/59/37/97/598593797.db2.gz LJBZATGJZZUCQF-UHFFFAOYSA-N -1 3 395.532 3.546 20 0 GHADHM Clc1cccc(Cl)c1-c1noc(COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737576119 598609385 /nfs/dbraw/zinc/60/93/85/598609385.db2.gz VUVRTNNSSTUFQG-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)cn2)cc1 ZINC000738432148 598611832 /nfs/dbraw/zinc/61/18/32/598611832.db2.gz FPEKLJQIXCTPSI-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)cn2)cc1 ZINC000738432148 598611834 /nfs/dbraw/zinc/61/18/34/598611834.db2.gz FPEKLJQIXCTPSI-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM Clc1ccc(Cc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737574526 598612983 /nfs/dbraw/zinc/61/29/83/598612983.db2.gz GVEFQVXYNDYUIR-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1ccc(Cc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737574526 598612985 /nfs/dbraw/zinc/61/29/85/598612985.db2.gz GVEFQVXYNDYUIR-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737286092 598629512 /nfs/dbraw/zinc/62/95/12/598629512.db2.gz YQAJXBZRRREOOD-OAHLLOKOSA-N -1 3 384.415 3.742 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737286092 598629514 /nfs/dbraw/zinc/62/95/14/598629514.db2.gz YQAJXBZRRREOOD-OAHLLOKOSA-N -1 3 384.415 3.742 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738102390 598629873 /nfs/dbraw/zinc/62/98/73/598629873.db2.gz RDLIIQAIUPOBNS-UHFFFAOYSA-N -1 3 378.367 3.588 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738102390 598629875 /nfs/dbraw/zinc/62/98/75/598629875.db2.gz RDLIIQAIUPOBNS-UHFFFAOYSA-N -1 3 378.367 3.588 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000737573922 598630687 /nfs/dbraw/zinc/63/06/87/598630687.db2.gz HAKQBAMZAISSLZ-HNNXBMFYSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000737573922 598630688 /nfs/dbraw/zinc/63/06/88/598630688.db2.gz HAKQBAMZAISSLZ-HNNXBMFYSA-N -1 3 383.839 3.633 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1OC(F)F ZINC000737045619 598636652 /nfs/dbraw/zinc/63/66/52/598636652.db2.gz JJOWELPJCHJKEO-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1OC(F)F ZINC000737045619 598636653 /nfs/dbraw/zinc/63/66/53/598636653.db2.gz JJOWELPJCHJKEO-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000736713166 598642875 /nfs/dbraw/zinc/64/28/75/598642875.db2.gz GUBGPSMCBJSKER-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000736713166 598642876 /nfs/dbraw/zinc/64/28/76/598642876.db2.gz GUBGPSMCBJSKER-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM O=C(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738252319 598645355 /nfs/dbraw/zinc/64/53/55/598645355.db2.gz ZNYXZURZFQHXOM-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738252319 598645357 /nfs/dbraw/zinc/64/53/57/598645357.db2.gz ZNYXZURZFQHXOM-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1Cl ZINC000737842019 598645482 /nfs/dbraw/zinc/64/54/82/598645482.db2.gz SRFMVBNKXZMRSR-UHFFFAOYSA-N -1 3 386.839 3.813 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1Cl ZINC000737842019 598645483 /nfs/dbraw/zinc/64/54/83/598645483.db2.gz SRFMVBNKXZMRSR-UHFFFAOYSA-N -1 3 386.839 3.813 20 0 GHADHM O=C(OCc1ccc(F)cc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738232656 598645605 /nfs/dbraw/zinc/64/56/05/598645605.db2.gz VHYXFNDDMIBRTB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738232656 598645607 /nfs/dbraw/zinc/64/56/07/598645607.db2.gz VHYXFNDDMIBRTB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737143333 598647332 /nfs/dbraw/zinc/64/73/32/598647332.db2.gz ULCPCULOWFUEPY-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737143333 598647334 /nfs/dbraw/zinc/64/73/34/598647334.db2.gz ULCPCULOWFUEPY-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736304677 598648094 /nfs/dbraw/zinc/64/80/94/598648094.db2.gz QHNGFARTDFMRAO-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736304677 598648096 /nfs/dbraw/zinc/64/80/96/598648096.db2.gz QHNGFARTDFMRAO-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CC1CCC(N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000736237344 598649639 /nfs/dbraw/zinc/64/96/39/598649639.db2.gz PWDBSIQLXVBIAM-UHFFFAOYSA-N -1 3 397.523 3.986 20 0 GHADHM CC1CCC(N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C2CC2)CC1 ZINC000736237344 598649641 /nfs/dbraw/zinc/64/96/41/598649641.db2.gz PWDBSIQLXVBIAM-UHFFFAOYSA-N -1 3 397.523 3.986 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737320542 598650463 /nfs/dbraw/zinc/65/04/63/598650463.db2.gz MVMQFQXXISXSDK-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737320542 598650466 /nfs/dbraw/zinc/65/04/66/598650466.db2.gz MVMQFQXXISXSDK-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000737948279 598651337 /nfs/dbraw/zinc/65/13/37/598651337.db2.gz RVXKUFHYPCYDMT-UHFFFAOYSA-N -1 3 387.468 3.849 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000737948279 598651339 /nfs/dbraw/zinc/65/13/39/598651339.db2.gz RVXKUFHYPCYDMT-UHFFFAOYSA-N -1 3 387.468 3.849 20 0 GHADHM O=C(CC[C@H]1CCCCO1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737822305 598652185 /nfs/dbraw/zinc/65/21/85/598652185.db2.gz CYQPVQACPWBJDA-GOSISDBHSA-N -1 3 391.475 3.749 20 0 GHADHM O=C(CC[C@H]1CCCCO1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737822305 598652188 /nfs/dbraw/zinc/65/21/88/598652188.db2.gz CYQPVQACPWBJDA-GOSISDBHSA-N -1 3 391.475 3.749 20 0 GHADHM CCOc1cc(F)ccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736624594 598652724 /nfs/dbraw/zinc/65/27/24/598652724.db2.gz FEXJCZBQOLAJRN-UHFFFAOYSA-N -1 3 399.426 3.592 20 0 GHADHM CCOc1cc(F)ccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736624594 598652726 /nfs/dbraw/zinc/65/27/26/598652726.db2.gz FEXJCZBQOLAJRN-UHFFFAOYSA-N -1 3 399.426 3.592 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274355 598654425 /nfs/dbraw/zinc/65/44/25/598654425.db2.gz UNENMLKZXDTSAO-GDBMZVCRSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274355 598654427 /nfs/dbraw/zinc/65/44/27/598654427.db2.gz UNENMLKZXDTSAO-GDBMZVCRSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000736110244 598654985 /nfs/dbraw/zinc/65/49/85/598654985.db2.gz GRJOFDZQCBKCQT-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000736110244 598654987 /nfs/dbraw/zinc/65/49/87/598654987.db2.gz GRJOFDZQCBKCQT-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736353791 598657285 /nfs/dbraw/zinc/65/72/85/598657285.db2.gz YISYMZHOCUKLKG-LJQANCHMSA-N -1 3 393.491 3.553 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736353791 598657287 /nfs/dbraw/zinc/65/72/87/598657287.db2.gz YISYMZHOCUKLKG-LJQANCHMSA-N -1 3 393.491 3.553 20 0 GHADHM CSc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737189783 598658250 /nfs/dbraw/zinc/65/82/50/598658250.db2.gz BWMFBVFSBFKPEL-UHFFFAOYSA-N -1 3 397.504 3.801 20 0 GHADHM CSc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737189783 598658252 /nfs/dbraw/zinc/65/82/52/598658252.db2.gz BWMFBVFSBFKPEL-UHFFFAOYSA-N -1 3 397.504 3.801 20 0 GHADHM Cc1cccc(CCNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737391846 598658736 /nfs/dbraw/zinc/65/87/36/598658736.db2.gz KKKQAXIOKTUBQJ-UHFFFAOYSA-N -1 3 399.454 3.940 20 0 GHADHM Cc1cccc(CCNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737391846 598658738 /nfs/dbraw/zinc/65/87/38/598658738.db2.gz KKKQAXIOKTUBQJ-UHFFFAOYSA-N -1 3 399.454 3.940 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735924418 598662405 /nfs/dbraw/zinc/66/24/05/598662405.db2.gz SRACDMHDJIAARD-UHFFFAOYSA-N -1 3 381.505 3.741 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924418 598662407 /nfs/dbraw/zinc/66/24/07/598662407.db2.gz SRACDMHDJIAARD-UHFFFAOYSA-N -1 3 381.505 3.741 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736832032 598666031 /nfs/dbraw/zinc/66/60/31/598666031.db2.gz XYGKVGSAEQDXCQ-UHFFFAOYSA-N -1 3 395.513 3.832 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736832032 598666033 /nfs/dbraw/zinc/66/60/33/598666033.db2.gz XYGKVGSAEQDXCQ-UHFFFAOYSA-N -1 3 395.513 3.832 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737802603 598671879 /nfs/dbraw/zinc/67/18/79/598671879.db2.gz PRDVYAXZPCFLRW-RAXLEYEMSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737802603 598671880 /nfs/dbraw/zinc/67/18/80/598671880.db2.gz PRDVYAXZPCFLRW-RAXLEYEMSA-N -1 3 384.399 3.706 20 0 GHADHM COc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000737095567 598674204 /nfs/dbraw/zinc/67/42/04/598674204.db2.gz KGAKEXRIQQGECW-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM COc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000737095567 598674206 /nfs/dbraw/zinc/67/42/06/598674206.db2.gz KGAKEXRIQQGECW-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)sc2n1 ZINC000737249156 598705061 /nfs/dbraw/zinc/70/50/61/598705061.db2.gz SKLGSKPOONPOKG-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)sc2n1 ZINC000737249156 598705063 /nfs/dbraw/zinc/70/50/63/598705063.db2.gz SKLGSKPOONPOKG-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736214292 598707569 /nfs/dbraw/zinc/70/75/69/598707569.db2.gz MLYQDFQGKUOECF-SFHVURJKSA-N -1 3 383.883 3.872 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737805865 598712939 /nfs/dbraw/zinc/71/29/39/598712939.db2.gz CXDWYQIPOTVNSL-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737805865 598712941 /nfs/dbraw/zinc/71/29/41/598712941.db2.gz CXDWYQIPOTVNSL-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM Fc1ccc(-c2nc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)co2)cc1 ZINC000737648730 598723311 /nfs/dbraw/zinc/72/33/11/598723311.db2.gz BNLZOBAWOPMWMF-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM Fc1ccc(-c2nc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)co2)cc1 ZINC000737648730 598723312 /nfs/dbraw/zinc/72/33/12/598723312.db2.gz BNLZOBAWOPMWMF-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736277621 598741727 /nfs/dbraw/zinc/74/17/27/598741727.db2.gz AMOFHWWIANRPJM-STQMWFEESA-N -1 3 381.505 3.870 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000736277621 598741729 /nfs/dbraw/zinc/74/17/29/598741729.db2.gz AMOFHWWIANRPJM-STQMWFEESA-N -1 3 381.505 3.870 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737415126 598764657 /nfs/dbraw/zinc/76/46/57/598764657.db2.gz JNYVAICJVIDOPW-OAQYLSRUSA-N -1 3 377.492 3.963 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737415126 598764658 /nfs/dbraw/zinc/76/46/58/598764658.db2.gz JNYVAICJVIDOPW-OAQYLSRUSA-N -1 3 377.492 3.963 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](c4ccccc4)C3)c2c1 ZINC000737645273 598772058 /nfs/dbraw/zinc/77/20/58/598772058.db2.gz VJNPTCUAEVPKQB-ZDUSSCGKSA-N -1 3 378.386 3.687 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](c4ccccc4)C3)c2c1 ZINC000737645273 598772060 /nfs/dbraw/zinc/77/20/60/598772060.db2.gz VJNPTCUAEVPKQB-ZDUSSCGKSA-N -1 3 378.386 3.687 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)C1 ZINC000736261570 598789792 /nfs/dbraw/zinc/78/97/92/598789792.db2.gz KRCOXYPCBAZWKR-CVEARBPZSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)C1 ZINC000736261570 598789793 /nfs/dbraw/zinc/78/97/93/598789793.db2.gz KRCOXYPCBAZWKR-CVEARBPZSA-N -1 3 395.463 3.588 20 0 GHADHM Clc1ccc(Br)cc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000737571114 598790316 /nfs/dbraw/zinc/79/03/16/598790316.db2.gz SCZLWNDCENCDQF-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1ccc(Br)cc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000737571114 598790318 /nfs/dbraw/zinc/79/03/18/598790318.db2.gz SCZLWNDCENCDQF-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM CSc1ccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737191762 598791489 /nfs/dbraw/zinc/79/14/89/598791489.db2.gz VHAWVFQDEJBOOW-SFHVURJKSA-N -1 3 397.504 3.655 20 0 GHADHM CSc1ccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737191762 598791490 /nfs/dbraw/zinc/79/14/90/598791490.db2.gz VHAWVFQDEJBOOW-SFHVURJKSA-N -1 3 397.504 3.655 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000737058417 598791500 /nfs/dbraw/zinc/79/15/00/598791500.db2.gz LMINDGBJGXGOOE-UHFFFAOYSA-N -1 3 379.464 3.863 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)CCCc1ccccc1 ZINC000737058417 598791501 /nfs/dbraw/zinc/79/15/01/598791501.db2.gz LMINDGBJGXGOOE-UHFFFAOYSA-N -1 3 379.464 3.863 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736325513 598793167 /nfs/dbraw/zinc/79/31/67/598793167.db2.gz KQQPZDFIPZIFIN-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736325513 598793169 /nfs/dbraw/zinc/79/31/69/598793169.db2.gz KQQPZDFIPZIFIN-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736325511 598793172 /nfs/dbraw/zinc/79/31/72/598793172.db2.gz KQQPZDFIPZIFIN-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736325511 598793174 /nfs/dbraw/zinc/79/31/74/598793174.db2.gz KQQPZDFIPZIFIN-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H](C)C(C)C)cc1 ZINC000737032037 598805540 /nfs/dbraw/zinc/80/55/40/598805540.db2.gz IYAXJIXGECBAQQ-CYBMUJFWSA-N -1 3 381.436 3.898 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H](C)C(C)C)cc1 ZINC000737032037 598805542 /nfs/dbraw/zinc/80/55/42/598805542.db2.gz IYAXJIXGECBAQQ-CYBMUJFWSA-N -1 3 381.436 3.898 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H](C)C(C)C ZINC000737279748 598805964 /nfs/dbraw/zinc/80/59/64/598805964.db2.gz MDRRYGHMMBSKCU-HNNXBMFYSA-N -1 3 379.464 3.985 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H](C)C(C)C ZINC000737279748 598805966 /nfs/dbraw/zinc/80/59/66/598805966.db2.gz MDRRYGHMMBSKCU-HNNXBMFYSA-N -1 3 379.464 3.985 20 0 GHADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc12 ZINC000738196342 598808148 /nfs/dbraw/zinc/80/81/48/598808148.db2.gz WSVACDPVWBAKLN-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2)n1 ZINC000737451809 598819354 /nfs/dbraw/zinc/81/93/54/598819354.db2.gz CEHHESVIIZMBRT-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM Cc1csc(Nc2cccc(NC(=O)c3sccc3-c3nn[n-]n3)c2)n1 ZINC000737451809 598819356 /nfs/dbraw/zinc/81/93/56/598819356.db2.gz CEHHESVIIZMBRT-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM Cc1sc(NC(=O)c2ccccc2N2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737561546 598822058 /nfs/dbraw/zinc/82/20/58/598822058.db2.gz FPLUQDBUDKJLNM-UHFFFAOYSA-N -1 3 382.493 3.788 20 0 GHADHM Cc1sc(NC(=O)c2ccccc2N2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737561546 598822059 /nfs/dbraw/zinc/82/20/59/598822059.db2.gz FPLUQDBUDKJLNM-UHFFFAOYSA-N -1 3 382.493 3.788 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C1 ZINC000820716818 599296474 /nfs/dbraw/zinc/29/64/74/599296474.db2.gz LOWLZZLOZIKCAG-LBPRGKRZSA-N -1 3 382.399 3.672 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C1 ZINC000820716818 599296477 /nfs/dbraw/zinc/29/64/77/599296477.db2.gz LOWLZZLOZIKCAG-LBPRGKRZSA-N -1 3 382.399 3.672 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379385 599296606 /nfs/dbraw/zinc/29/66/06/599296606.db2.gz CAGONTCTZZQXTB-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379385 599296608 /nfs/dbraw/zinc/29/66/08/599296608.db2.gz CAGONTCTZZQXTB-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM Fc1ccc(CSCc2nc(CCc3ccccc3)no2)c(-c2nnn[n-]2)c1 ZINC000822775623 599300382 /nfs/dbraw/zinc/30/03/82/599300382.db2.gz YOXSZDGWXBUELE-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM Fc1ccc(CSCc2nc(CCc3ccccc3)no2)c(-c2nn[n-]n2)c1 ZINC000822775623 599300385 /nfs/dbraw/zinc/30/03/85/599300385.db2.gz YOXSZDGWXBUELE-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735671557 599305652 /nfs/dbraw/zinc/30/56/52/599305652.db2.gz ZJRBQVCDBUSUPJ-UHFFFAOYSA-N -1 3 380.349 3.809 20 0 GHADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735671557 599305654 /nfs/dbraw/zinc/30/56/54/599305654.db2.gz ZJRBQVCDBUSUPJ-UHFFFAOYSA-N -1 3 380.349 3.809 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822116621 599314527 /nfs/dbraw/zinc/31/45/27/599314527.db2.gz VLLKIXCKOUBTJH-INIZCTEOSA-N -1 3 392.507 3.904 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822116621 599314530 /nfs/dbraw/zinc/31/45/30/599314530.db2.gz VLLKIXCKOUBTJH-INIZCTEOSA-N -1 3 392.507 3.904 20 0 GHADHM Brc1ccccc1-c1cnc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000735368896 599325007 /nfs/dbraw/zinc/32/50/07/599325007.db2.gz OVPKXDSEWZKZTD-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1ccccc1-c1cnc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000735368896 599325008 /nfs/dbraw/zinc/32/50/08/599325008.db2.gz OVPKXDSEWZKZTD-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187785 599327371 /nfs/dbraw/zinc/32/73/71/599327371.db2.gz BXFXAQGRYYHURB-CYBMUJFWSA-N -1 3 379.489 3.788 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187785 599327374 /nfs/dbraw/zinc/32/73/74/599327374.db2.gz BXFXAQGRYYHURB-CYBMUJFWSA-N -1 3 379.489 3.788 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343417 599329210 /nfs/dbraw/zinc/32/92/10/599329210.db2.gz XFUUGEBTBKIWSU-LSDHHAIUSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343417 599329213 /nfs/dbraw/zinc/32/92/13/599329213.db2.gz XFUUGEBTBKIWSU-LSDHHAIUSA-N -1 3 381.505 3.674 20 0 GHADHM C[C@@H](SCCC(=O)N1CCc2sccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191805 599331473 /nfs/dbraw/zinc/33/14/73/599331473.db2.gz XAHIQHCTEZMUBY-CYBMUJFWSA-N -1 3 399.545 3.697 20 0 GHADHM C[C@@H](SCCC(=O)N1CCc2sccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191805 599331476 /nfs/dbraw/zinc/33/14/76/599331476.db2.gz XAHIQHCTEZMUBY-CYBMUJFWSA-N -1 3 399.545 3.697 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737426042 599333563 /nfs/dbraw/zinc/33/35/63/599333563.db2.gz HYCMUSGBMVUBTF-JKSUJKDBSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737426042 599333565 /nfs/dbraw/zinc/33/35/65/599333565.db2.gz HYCMUSGBMVUBTF-JKSUJKDBSA-N -1 3 395.532 3.717 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000819899542 599343509 /nfs/dbraw/zinc/34/35/09/599343509.db2.gz WNQGLMZKZFLACC-INIZCTEOSA-N -1 3 387.534 3.924 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000819899542 599343511 /nfs/dbraw/zinc/34/35/11/599343511.db2.gz WNQGLMZKZFLACC-INIZCTEOSA-N -1 3 387.534 3.924 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820564121 599344720 /nfs/dbraw/zinc/34/47/20/599344720.db2.gz YWDQEYBVNZUHGP-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820564121 599344722 /nfs/dbraw/zinc/34/47/22/599344722.db2.gz YWDQEYBVNZUHGP-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM Cc1sc2nc([C@H](C)Sc3ccccc3-c3nnn[n-]3)nc(N)c2c1C ZINC000822563944 599348223 /nfs/dbraw/zinc/34/82/23/599348223.db2.gz RLYSNXGONFEWJQ-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc([C@H](C)Sc3ccccc3-c3nn[n-]n3)nc(N)c2c1C ZINC000822563944 599348225 /nfs/dbraw/zinc/34/82/25/599348225.db2.gz RLYSNXGONFEWJQ-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM CC(C)c1ccc(CCNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192145 599398625 /nfs/dbraw/zinc/39/86/25/599398625.db2.gz FKXQVWYMWMOCBC-HNNXBMFYSA-N -1 3 378.480 3.593 20 0 GHADHM CC(C)c1ccc(CCNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192145 599398628 /nfs/dbraw/zinc/39/86/28/599398628.db2.gz FKXQVWYMWMOCBC-HNNXBMFYSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000820348884 599405657 /nfs/dbraw/zinc/40/56/57/599405657.db2.gz GSBFDESOYXHYMV-UWVGGRQHSA-N -1 3 376.873 3.703 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000820348884 599405659 /nfs/dbraw/zinc/40/56/59/599405659.db2.gz GSBFDESOYXHYMV-UWVGGRQHSA-N -1 3 376.873 3.703 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820667059 599411594 /nfs/dbraw/zinc/41/15/94/599411594.db2.gz KVEOUGBQYWSGGU-NXOUGTEYSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820667059 599411597 /nfs/dbraw/zinc/41/15/97/599411597.db2.gz KVEOUGBQYWSGGU-NXOUGTEYSA-N -1 3 396.882 3.717 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822020763 599423515 /nfs/dbraw/zinc/42/35/15/599423515.db2.gz IJUKRNUVOOXMLB-LBPRGKRZSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822020763 599423516 /nfs/dbraw/zinc/42/35/16/599423516.db2.gz IJUKRNUVOOXMLB-LBPRGKRZSA-N -1 3 394.410 3.621 20 0 GHADHM C[C@@H](NC(=O)NCCCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365118 599424448 /nfs/dbraw/zinc/42/44/48/599424448.db2.gz HKGOMQKHNJRNNX-CYBMUJFWSA-N -1 3 384.871 3.513 20 0 GHADHM C[C@@H](NC(=O)NCCCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365118 599424449 /nfs/dbraw/zinc/42/44/49/599424449.db2.gz HKGOMQKHNJRNNX-CYBMUJFWSA-N -1 3 384.871 3.513 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821020349 599433857 /nfs/dbraw/zinc/43/38/57/599433857.db2.gz BAYXVUSUAMLKAL-HNAYVOBHSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821020349 599433860 /nfs/dbraw/zinc/43/38/60/599433860.db2.gz BAYXVUSUAMLKAL-HNAYVOBHSA-N -1 3 378.480 3.638 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CN[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000823772649 599435165 /nfs/dbraw/zinc/43/51/65/599435165.db2.gz LIQSGHHDXNCXHK-OAQYLSRUSA-N -1 3 387.443 3.664 20 0 GHADHM c1cc(-c2nn[n-]n2)oc1CN[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000823772649 599435168 /nfs/dbraw/zinc/43/51/68/599435168.db2.gz LIQSGHHDXNCXHK-OAQYLSRUSA-N -1 3 387.443 3.664 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820710413 599444098 /nfs/dbraw/zinc/44/40/98/599444098.db2.gz QGXSOMBQSIVOEH-UONOGXRCSA-N -1 3 396.520 3.925 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820684537 599444131 /nfs/dbraw/zinc/44/41/31/599444131.db2.gz RACBGMFAUUWJRB-ZIAGYGMSSA-N -1 3 396.520 3.925 20 0 GHADHM CC(C)(C)Oc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)c(C(F)(F)F)c1 ZINC000819949982 599462150 /nfs/dbraw/zinc/46/21/50/599462150.db2.gz FCPRMDCMUUYUNN-UHFFFAOYSA-N -1 3 395.385 3.946 20 0 GHADHM CC(C)(C)Oc1ccc(CNCc2ccc(-c3nn[n-]n3)o2)c(C(F)(F)F)c1 ZINC000819949982 599462152 /nfs/dbraw/zinc/46/21/52/599462152.db2.gz FCPRMDCMUUYUNN-UHFFFAOYSA-N -1 3 395.385 3.946 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822229586 599464553 /nfs/dbraw/zinc/46/45/53/599464553.db2.gz XQOXTZVMFNCQPJ-AWEZNQCLSA-N -1 3 382.443 3.525 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822229586 599464556 /nfs/dbraw/zinc/46/45/56/599464556.db2.gz XQOXTZVMFNCQPJ-AWEZNQCLSA-N -1 3 382.443 3.525 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@H](c1ccccc1)C1CCCC1 ZINC000823235566 599465110 /nfs/dbraw/zinc/46/51/10/599465110.db2.gz XCORNOHXDLWOQE-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@H](c1ccccc1)C1CCCC1 ZINC000823235566 599465112 /nfs/dbraw/zinc/46/51/12/599465112.db2.gz XCORNOHXDLWOQE-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1 ZINC000820921258 599466383 /nfs/dbraw/zinc/46/63/83/599466383.db2.gz XONFMFHBDOILAK-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1 ZINC000820921258 599466385 /nfs/dbraw/zinc/46/63/85/599466385.db2.gz XONFMFHBDOILAK-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342070 599473348 /nfs/dbraw/zinc/47/33/48/599473348.db2.gz STEDFKAUOPIVOF-OAHLLOKOSA-N -1 3 386.459 3.923 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342070 599473349 /nfs/dbraw/zinc/47/33/49/599473349.db2.gz STEDFKAUOPIVOF-OAHLLOKOSA-N -1 3 386.459 3.923 20 0 GHADHM CC(C)[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820353107 599473870 /nfs/dbraw/zinc/47/38/70/599473870.db2.gz YDUNGGCIMXWCAR-FZKQIMNGSA-N -1 3 382.443 3.763 20 0 GHADHM CC(C)[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820353107 599473872 /nfs/dbraw/zinc/47/38/72/599473872.db2.gz YDUNGGCIMXWCAR-FZKQIMNGSA-N -1 3 382.443 3.763 20 0 GHADHM CCO[C@@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000736616762 599475340 /nfs/dbraw/zinc/47/53/40/599475340.db2.gz PQFWFLGHRHPICC-AWEZNQCLSA-N -1 3 386.525 3.831 20 0 GHADHM CCO[C@@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000736616762 599475342 /nfs/dbraw/zinc/47/53/42/599475342.db2.gz PQFWFLGHRHPICC-AWEZNQCLSA-N -1 3 386.525 3.831 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340979 599482457 /nfs/dbraw/zinc/48/24/57/599482457.db2.gz OGOLQPXAXDTCPV-FTRWYGJKSA-N -1 3 390.491 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340979 599482459 /nfs/dbraw/zinc/48/24/59/599482459.db2.gz OGOLQPXAXDTCPV-FTRWYGJKSA-N -1 3 390.491 3.763 20 0 GHADHM CN(CCc1ccc(F)cc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821604998 599490379 /nfs/dbraw/zinc/49/03/79/599490379.db2.gz QCFMEPCMHCQXBT-UHFFFAOYSA-N -1 3 384.365 3.511 20 0 GHADHM CN(CCc1ccc(F)cc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821604998 599490380 /nfs/dbraw/zinc/49/03/80/599490380.db2.gz QCFMEPCMHCQXBT-UHFFFAOYSA-N -1 3 384.365 3.511 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1cccc(-c2nnn[n-]2)c1 ZINC000820397133 599499511 /nfs/dbraw/zinc/49/95/11/599499511.db2.gz MDJJGHIXQQDEII-AWEZNQCLSA-N -1 3 381.439 3.929 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1cccc(-c2nn[n-]n2)c1 ZINC000820397133 599499514 /nfs/dbraw/zinc/49/95/14/599499514.db2.gz MDJJGHIXQQDEII-AWEZNQCLSA-N -1 3 381.439 3.929 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737177966 599501568 /nfs/dbraw/zinc/50/15/68/599501568.db2.gz WPTPTVYEXHTZFA-ZDUSSCGKSA-N -1 3 398.492 3.840 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737177966 599501570 /nfs/dbraw/zinc/50/15/70/599501570.db2.gz WPTPTVYEXHTZFA-ZDUSSCGKSA-N -1 3 398.492 3.840 20 0 GHADHM Cc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737434528 599504893 /nfs/dbraw/zinc/50/48/93/599504893.db2.gz HDXLWCQWZJVVBL-CYBMUJFWSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737434528 599504895 /nfs/dbraw/zinc/50/48/95/599504895.db2.gz HDXLWCQWZJVVBL-CYBMUJFWSA-N -1 3 396.520 3.945 20 0 GHADHM CCOc1c(OC)cc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1OC ZINC000821389553 599506247 /nfs/dbraw/zinc/50/62/47/599506247.db2.gz OCKVTVYWJWYAOF-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1c(OC)cc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1OC ZINC000821389553 599506250 /nfs/dbraw/zinc/50/62/50/599506250.db2.gz OCKVTVYWJWYAOF-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328867 599516538 /nfs/dbraw/zinc/51/65/38/599516538.db2.gz SBWZASCYWYSSSK-OAHLLOKOSA-N -1 3 386.459 3.672 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328867 599516541 /nfs/dbraw/zinc/51/65/41/599516541.db2.gz SBWZASCYWYSSSK-OAHLLOKOSA-N -1 3 386.459 3.672 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820384696 599519059 /nfs/dbraw/zinc/51/90/59/599519059.db2.gz KWMZKVVBUGFNOD-NSHDSACASA-N -1 3 380.839 3.503 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820384696 599519063 /nfs/dbraw/zinc/51/90/63/599519063.db2.gz KWMZKVVBUGFNOD-NSHDSACASA-N -1 3 380.839 3.503 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)c2ccccc2n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820384695 599519621 /nfs/dbraw/zinc/51/96/21/599519621.db2.gz KWMZKVVBUGFNOD-LLVKDONJSA-N -1 3 380.839 3.503 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)c2ccccc2n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820384695 599519624 /nfs/dbraw/zinc/51/96/24/599519624.db2.gz KWMZKVVBUGFNOD-LLVKDONJSA-N -1 3 380.839 3.503 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424173 599519891 /nfs/dbraw/zinc/51/98/91/599519891.db2.gz SNTWQSBBJKLJST-SNVBAGLBSA-N -1 3 396.501 3.851 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424173 599519894 /nfs/dbraw/zinc/51/98/94/599519894.db2.gz SNTWQSBBJKLJST-SNVBAGLBSA-N -1 3 396.501 3.851 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820235946 607382186 /nfs/dbraw/zinc/38/21/86/607382186.db2.gz VNKAIZUOJZXFPD-ZBEGNZNMSA-N -1 3 377.370 3.810 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cnn(Cc2ccccc2)c1 ZINC000737632160 599521557 /nfs/dbraw/zinc/52/15/57/599521557.db2.gz KUTQXEPDIAOSQB-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CN1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)Cc2ccccc21 ZINC000821628442 599521564 /nfs/dbraw/zinc/52/15/64/599521564.db2.gz IWGCRIZMBORZPI-UHFFFAOYSA-N -1 3 391.866 3.525 20 0 GHADHM CN1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)Cc2ccccc21 ZINC000821628442 599521566 /nfs/dbraw/zinc/52/15/66/599521566.db2.gz IWGCRIZMBORZPI-UHFFFAOYSA-N -1 3 391.866 3.525 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000822345414 599527976 /nfs/dbraw/zinc/52/79/76/599527976.db2.gz INLSFZJUEURHRL-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000822345414 599527979 /nfs/dbraw/zinc/52/79/79/599527979.db2.gz INLSFZJUEURHRL-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821850167 599532074 /nfs/dbraw/zinc/53/20/74/599532074.db2.gz XQSRNLYVRLKKIZ-YOEHRIQHSA-N -1 3 391.475 3.563 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821850167 599532077 /nfs/dbraw/zinc/53/20/77/599532077.db2.gz XQSRNLYVRLKKIZ-YOEHRIQHSA-N -1 3 391.475 3.563 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397929 599539577 /nfs/dbraw/zinc/53/95/77/599539577.db2.gz XEFYILUUBQTHCT-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397929 599539579 /nfs/dbraw/zinc/53/95/79/599539579.db2.gz XEFYILUUBQTHCT-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccccc1F ZINC000736481682 599542339 /nfs/dbraw/zinc/54/23/39/599542339.db2.gz ZIYOXYZAGWZSQZ-OAHLLOKOSA-N -1 3 381.455 3.623 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccccc1F ZINC000736481682 599542341 /nfs/dbraw/zinc/54/23/41/599542341.db2.gz ZIYOXYZAGWZSQZ-OAHLLOKOSA-N -1 3 381.455 3.623 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821061564 599545267 /nfs/dbraw/zinc/54/52/67/599545267.db2.gz QLDVFBITYWLONM-HNNXBMFYSA-N -1 3 378.480 3.594 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821061564 599545270 /nfs/dbraw/zinc/54/52/70/599545270.db2.gz QLDVFBITYWLONM-HNNXBMFYSA-N -1 3 378.480 3.594 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332903 599558393 /nfs/dbraw/zinc/55/83/93/599558393.db2.gz XQILGXOBZKTUJC-IERDGZPVSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332903 599558395 /nfs/dbraw/zinc/55/83/95/599558395.db2.gz XQILGXOBZKTUJC-IERDGZPVSA-N -1 3 375.476 3.717 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3c(Cl)cccc3-c3nnn[n-]3)C2)c1 ZINC000821872767 599561381 /nfs/dbraw/zinc/56/13/81/599561381.db2.gz PSFJELDIYIEDLS-ZDUSSCGKSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3c(Cl)cccc3-c3nn[n-]n3)C2)c1 ZINC000821872767 599561383 /nfs/dbraw/zinc/56/13/83/599561383.db2.gz PSFJELDIYIEDLS-ZDUSSCGKSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3c(Cl)cccc3-c3nnn[n-]3)C2)c1 ZINC000821872765 599561729 /nfs/dbraw/zinc/56/17/29/599561729.db2.gz PSFJELDIYIEDLS-CYBMUJFWSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3c(Cl)cccc3-c3nn[n-]n3)C2)c1 ZINC000821872765 599561730 /nfs/dbraw/zinc/56/17/30/599561730.db2.gz PSFJELDIYIEDLS-CYBMUJFWSA-N -1 3 384.871 3.610 20 0 GHADHM CCCN(CC(F)F)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736468437 599567420 /nfs/dbraw/zinc/56/74/20/599567420.db2.gz BJONTJBDRGUAQY-UHFFFAOYSA-N -1 3 386.406 3.728 20 0 GHADHM COc1ccc(Br)cc1Sc1cccc(F)c1-c1nnn[n-]1 ZINC000821770828 599582812 /nfs/dbraw/zinc/58/28/12/599582812.db2.gz XZVQGUJHHPIMPW-UHFFFAOYSA-N -1 3 381.230 3.928 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736059882 599607546 /nfs/dbraw/zinc/60/75/46/599607546.db2.gz XPFOGUZQBKKHPD-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736059882 599607548 /nfs/dbraw/zinc/60/75/48/599607548.db2.gz XPFOGUZQBKKHPD-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113558 599608361 /nfs/dbraw/zinc/60/83/61/599608361.db2.gz PNPLFNWOESFRHH-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113558 599608362 /nfs/dbraw/zinc/60/83/62/599608362.db2.gz PNPLFNWOESFRHH-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736331458 599611704 /nfs/dbraw/zinc/61/17/04/599611704.db2.gz PENIPWBOGMHFPM-BXUZGUMPSA-N -1 3 394.426 3.901 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736331458 599611707 /nfs/dbraw/zinc/61/17/07/599611707.db2.gz PENIPWBOGMHFPM-BXUZGUMPSA-N -1 3 394.426 3.901 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000819856944 599630177 /nfs/dbraw/zinc/63/01/77/599630177.db2.gz NBKWRRZBKYVZLO-LBPRGKRZSA-N -1 3 375.354 3.598 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000819856944 599630178 /nfs/dbraw/zinc/63/01/78/599630178.db2.gz NBKWRRZBKYVZLO-LBPRGKRZSA-N -1 3 375.354 3.598 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c2)cs1 ZINC000822419646 599630717 /nfs/dbraw/zinc/63/07/17/599630717.db2.gz RVGIJDDNBNKTCS-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c2)cs1 ZINC000822419646 599630718 /nfs/dbraw/zinc/63/07/18/599630718.db2.gz RVGIJDDNBNKTCS-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821787594 599632061 /nfs/dbraw/zinc/63/20/61/599632061.db2.gz VSPKMPUHXOYFOT-RUDMXATFSA-N -1 3 389.337 3.546 20 0 GHADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821787594 599632062 /nfs/dbraw/zinc/63/20/62/599632062.db2.gz VSPKMPUHXOYFOT-RUDMXATFSA-N -1 3 389.337 3.546 20 0 GHADHM O=C(CCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822958837 599633080 /nfs/dbraw/zinc/63/30/80/599633080.db2.gz JNKQDQAIQDXCHY-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM O=C(CCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822958837 599633081 /nfs/dbraw/zinc/63/30/81/599633081.db2.gz JNKQDQAIQDXCHY-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM CC(C)[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1 ZINC000820028428 599635250 /nfs/dbraw/zinc/63/52/50/599635250.db2.gz ZAEJSLKOVJQGIX-SFHVURJKSA-N -1 3 393.426 3.543 20 0 GHADHM CC(C)[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1 ZINC000820028428 599635251 /nfs/dbraw/zinc/63/52/51/599635251.db2.gz ZAEJSLKOVJQGIX-SFHVURJKSA-N -1 3 393.426 3.543 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233207 599669111 /nfs/dbraw/zinc/66/91/11/599669111.db2.gz KKRJVDDZIAYUCH-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233207 599669112 /nfs/dbraw/zinc/66/91/12/599669112.db2.gz KKRJVDDZIAYUCH-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822431973 599670671 /nfs/dbraw/zinc/67/06/71/599670671.db2.gz RJPKURXOZZNHSQ-UHFFFAOYSA-N -1 3 399.476 3.525 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822431973 599670672 /nfs/dbraw/zinc/67/06/72/599670672.db2.gz RJPKURXOZZNHSQ-UHFFFAOYSA-N -1 3 399.476 3.525 20 0 GHADHM CO[C@@]1(C)C[C@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678387 599689626 /nfs/dbraw/zinc/68/96/26/599689626.db2.gz NCOSDJPPRYLVRH-KXBFYZLASA-N -1 3 384.509 3.647 20 0 GHADHM CO[C@@]1(C)C[C@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678387 599689627 /nfs/dbraw/zinc/68/96/27/599689627.db2.gz NCOSDJPPRYLVRH-KXBFYZLASA-N -1 3 384.509 3.647 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)c[nH]c2c1 ZINC000822275152 599689932 /nfs/dbraw/zinc/68/99/32/599689932.db2.gz OHWZWOOUUNYYMH-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)c[nH]c2c1 ZINC000822275152 599689933 /nfs/dbraw/zinc/68/99/33/599689933.db2.gz OHWZWOOUUNYYMH-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Fc1ccc(CSCc2nccn2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822774868 599691661 /nfs/dbraw/zinc/69/16/61/599691661.db2.gz QCPXDNPXFFVAJI-UHFFFAOYSA-N -1 3 380.452 3.684 20 0 GHADHM Fc1ccc(CSCc2nccn2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822774868 599691662 /nfs/dbraw/zinc/69/16/62/599691662.db2.gz QCPXDNPXFFVAJI-UHFFFAOYSA-N -1 3 380.452 3.684 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820966685 599692544 /nfs/dbraw/zinc/69/25/44/599692544.db2.gz GROGRCWLSSCZQO-CJNGLKHVSA-N -1 3 393.451 3.706 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1F ZINC000740008922 599717810 /nfs/dbraw/zinc/71/78/10/599717810.db2.gz SSGKCXFGDPXNJL-OAHLLOKOSA-N -1 3 392.456 3.936 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820160461 607396719 /nfs/dbraw/zinc/39/67/19/607396719.db2.gz KUPWWHSHGUQNTP-GOSISDBHSA-N -1 3 395.488 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820160461 607396720 /nfs/dbraw/zinc/39/67/20/607396720.db2.gz KUPWWHSHGUQNTP-GOSISDBHSA-N -1 3 395.488 3.623 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000737136314 599847983 /nfs/dbraw/zinc/84/79/83/599847983.db2.gz IDBKZNHFMUWFPC-FQEVSTJZSA-N -1 3 385.460 3.927 20 0 GHADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000518386804 599866631 /nfs/dbraw/zinc/86/66/31/599866631.db2.gz QWFXKYAFIYAPHO-AVRDEDQJSA-N -1 3 394.471 3.833 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000826252967 607406244 /nfs/dbraw/zinc/40/62/44/607406244.db2.gz ARQSPEFVZJDUSV-UHFFFAOYSA-N -1 3 384.823 3.535 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000826252967 607406246 /nfs/dbraw/zinc/40/62/46/607406246.db2.gz ARQSPEFVZJDUSV-UHFFFAOYSA-N -1 3 384.823 3.535 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000826253196 607411286 /nfs/dbraw/zinc/41/12/86/607411286.db2.gz HSDCGCXAOYZHKN-UHFFFAOYSA-N -1 3 375.432 3.723 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000826253196 607411288 /nfs/dbraw/zinc/41/12/88/607411288.db2.gz HSDCGCXAOYZHKN-UHFFFAOYSA-N -1 3 375.432 3.723 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000738308644 600008001 /nfs/dbraw/zinc/00/80/01/600008001.db2.gz SBJZRZXKXVLNOE-UHFFFAOYSA-N -1 3 389.883 3.942 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826420180 607416666 /nfs/dbraw/zinc/41/66/66/607416666.db2.gz BUGRTZCPSXKPHC-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826420180 607416668 /nfs/dbraw/zinc/41/66/68/607416668.db2.gz BUGRTZCPSXKPHC-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421345 607418584 /nfs/dbraw/zinc/41/85/84/607418584.db2.gz DDSUDILNMDAASS-UHFFFAOYSA-N -1 3 395.466 3.882 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421345 607418586 /nfs/dbraw/zinc/41/85/86/607418586.db2.gz DDSUDILNMDAASS-UHFFFAOYSA-N -1 3 395.466 3.882 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1-c1nnn[n-]1 ZINC000820164314 607425277 /nfs/dbraw/zinc/42/52/77/607425277.db2.gz HIAREJGSKOVBOV-KRWDZBQOSA-N -1 3 384.484 3.840 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1-c1nn[n-]n1 ZINC000820164314 607425278 /nfs/dbraw/zinc/42/52/78/607425278.db2.gz HIAREJGSKOVBOV-KRWDZBQOSA-N -1 3 384.484 3.840 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)CCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000820165971 607426183 /nfs/dbraw/zinc/42/61/83/607426183.db2.gz TWZQSRKRRSGKDT-UHFFFAOYSA-N -1 3 394.479 3.750 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)CCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000820165971 607426184 /nfs/dbraw/zinc/42/61/84/607426184.db2.gz TWZQSRKRRSGKDT-UHFFFAOYSA-N -1 3 394.479 3.750 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000826244169 607430596 /nfs/dbraw/zinc/43/05/96/607430596.db2.gz IXVJHOGMGXJPMB-UHFFFAOYSA-N -1 3 388.406 3.556 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000826244169 607430597 /nfs/dbraw/zinc/43/05/97/607430597.db2.gz IXVJHOGMGXJPMB-UHFFFAOYSA-N -1 3 388.406 3.556 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1-c1nnn[n-]1 ZINC000820164818 607431031 /nfs/dbraw/zinc/43/10/31/607431031.db2.gz LWPXWJOFJRMOQX-OAHLLOKOSA-N -1 3 382.424 3.616 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000820164818 607431033 /nfs/dbraw/zinc/43/10/33/607431033.db2.gz LWPXWJOFJRMOQX-OAHLLOKOSA-N -1 3 382.424 3.616 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Br)ccc1OC(F)F)CC2 ZINC000566684624 600303243 /nfs/dbraw/zinc/30/32/43/600303243.db2.gz XTMCBZCYEABMST-LBPRGKRZSA-N -1 3 390.224 3.737 20 0 GHADHM C[C@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1)N1CCCCCC1 ZINC000736199553 600407931 /nfs/dbraw/zinc/40/79/31/600407931.db2.gz JSWLRRBHHNVXDN-DLBZAZTESA-N -1 3 399.491 3.727 20 0 GHADHM C[C@@H](N[C@@H](C)c1csc2ccccc21)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662121 600523840 /nfs/dbraw/zinc/52/38/40/600523840.db2.gz MASBKRRJLHNWDP-UONOGXRCSA-N -1 3 382.485 3.955 20 0 GHADHM CC(C)N(CCC(=O)[O-])Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000736468485 600609904 /nfs/dbraw/zinc/60/99/04/600609904.db2.gz SBBRQHLTMYUMMB-UHFFFAOYSA-N -1 3 384.249 3.594 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N1CCN(C2CCC(C)CC2)CC1)C(=O)[O-] ZINC000736770113 600610221 /nfs/dbraw/zinc/61/02/21/600610221.db2.gz ZBUAWRUCIUDDQN-CGZBRXJRSA-N -1 3 390.549 3.588 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000738531756 600728840 /nfs/dbraw/zinc/72/88/40/600728840.db2.gz CASSTBUKZPUBTP-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM CC(C)c1ccc(CCC(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824347941 607465895 /nfs/dbraw/zinc/46/58/95/607465895.db2.gz UIYARNAUYCKVGX-UHFFFAOYSA-N -1 3 387.447 3.505 20 0 GHADHM CC(C)c1ccc(CCC(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824347941 607465897 /nfs/dbraw/zinc/46/58/97/607465897.db2.gz UIYARNAUYCKVGX-UHFFFAOYSA-N -1 3 387.447 3.505 20 0 GHADHM O[C@H](C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673106 607468974 /nfs/dbraw/zinc/46/89/74/607468974.db2.gz IGRUIKPJKDRKBL-KBXCAEBGSA-N -1 3 387.846 3.752 20 0 GHADHM O[C@H](C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673106 607468975 /nfs/dbraw/zinc/46/89/75/607468975.db2.gz IGRUIKPJKDRKBL-KBXCAEBGSA-N -1 3 387.846 3.752 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000832916785 600997383 /nfs/dbraw/zinc/99/73/83/600997383.db2.gz PKCJPDHCLJXZPL-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000827485959 601095813 /nfs/dbraw/zinc/09/58/13/601095813.db2.gz FAVGMBZCFWEKGG-INIZCTEOSA-N -1 3 383.492 3.691 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000826054455 601203745 /nfs/dbraw/zinc/20/37/45/601203745.db2.gz NDTXFEBJYJOTMQ-PXAZEXFGSA-N -1 3 396.365 3.575 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CSCc1ccccc1 ZINC000821389993 607496574 /nfs/dbraw/zinc/49/65/74/607496574.db2.gz SPXNDPVUJQSIPW-CQSZACIVSA-N -1 3 398.488 3.740 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CSCc1ccccc1 ZINC000821389993 607496575 /nfs/dbraw/zinc/49/65/75/607496575.db2.gz SPXNDPVUJQSIPW-CQSZACIVSA-N -1 3 398.488 3.740 20 0 GHADHM CC(C)c1ncc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)s1 ZINC000820206734 607497803 /nfs/dbraw/zinc/49/78/03/607497803.db2.gz YBTMYLVGMVPRQC-UHFFFAOYSA-N -1 3 394.460 3.887 20 0 GHADHM CC(C)c1ncc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)s1 ZINC000820206734 607497811 /nfs/dbraw/zinc/49/78/11/607497811.db2.gz YBTMYLVGMVPRQC-UHFFFAOYSA-N -1 3 394.460 3.887 20 0 GHADHM C[C@@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)C[C@@H]1C(=O)[O-] ZINC000828465958 601517243 /nfs/dbraw/zinc/51/72/43/601517243.db2.gz ZFHCVFTXQGYKIC-YGRLFVJLSA-N -1 3 381.295 3.725 20 0 GHADHM CCN(Cc1noc(C2CCCCC2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443236 607518993 /nfs/dbraw/zinc/51/89/93/607518993.db2.gz AMMQOPAQCDGAAN-AWEZNQCLSA-N -1 3 381.484 3.881 20 0 GHADHM CCN(Cc1noc(C2CCCCC2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443236 607518994 /nfs/dbraw/zinc/51/89/94/607518994.db2.gz AMMQOPAQCDGAAN-AWEZNQCLSA-N -1 3 381.484 3.881 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000826054353 601653461 /nfs/dbraw/zinc/65/34/61/601653461.db2.gz MQUNFUMCOFOPAO-IIBYNOLFSA-N -1 3 392.455 3.761 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc(Br)cc3cccnc31)CC2 ZINC000582490587 601863302 /nfs/dbraw/zinc/86/33/02/601863302.db2.gz IOWIEDQGCXRFEA-OAHLLOKOSA-N -1 3 375.266 3.684 20 0 GHADHM CN(Cc1ccc(-n2cccn2)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830810662 601899302 /nfs/dbraw/zinc/89/93/02/601899302.db2.gz DJJLAAQVRKWRNJ-SFHVURJKSA-N -1 3 375.350 3.547 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825669384 607535831 /nfs/dbraw/zinc/53/58/31/607535831.db2.gz WUZQNJKIERHSQH-JTQLQIEISA-N -1 3 392.510 3.506 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825669384 607535833 /nfs/dbraw/zinc/53/58/33/607535833.db2.gz WUZQNJKIERHSQH-JTQLQIEISA-N -1 3 392.510 3.506 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)s1 ZINC000833313922 601961509 /nfs/dbraw/zinc/96/15/09/601961509.db2.gz BRPIHYFQZSBZCG-UHFFFAOYSA-N -1 3 398.528 3.850 20 0 GHADHM C[C@@H](CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000824400629 607537200 /nfs/dbraw/zinc/53/72/00/607537200.db2.gz JMULMFNBBRQTHQ-LBPRGKRZSA-N -1 3 387.390 3.991 20 0 GHADHM C[C@@H](CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000824400629 607537203 /nfs/dbraw/zinc/53/72/03/607537203.db2.gz JMULMFNBBRQTHQ-LBPRGKRZSA-N -1 3 387.390 3.991 20 0 GHADHM COc1cc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)ccc1C ZINC000826176982 607539497 /nfs/dbraw/zinc/53/94/97/607539497.db2.gz MLZWETLQJZVKQX-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)ccc1C ZINC000826176982 607539498 /nfs/dbraw/zinc/53/94/98/607539498.db2.gz MLZWETLQJZVKQX-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828176870 602037222 /nfs/dbraw/zinc/03/72/22/602037222.db2.gz LYIXGPYLVASISJ-BBRMVZONSA-N -1 3 386.427 3.700 20 0 GHADHM Cc1nc(C)n(C[C@H]2CCCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n1 ZINC000832995763 602040654 /nfs/dbraw/zinc/04/06/54/602040654.db2.gz JIDWNVLAOAFHGN-GUYCJALGSA-N -1 3 397.306 3.740 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000826283942 607541927 /nfs/dbraw/zinc/54/19/27/607541927.db2.gz FYQQDIMCGSCUFP-QGZVFWFLSA-N -1 3 394.870 3.582 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000826283942 607541929 /nfs/dbraw/zinc/54/19/29/607541929.db2.gz FYQQDIMCGSCUFP-QGZVFWFLSA-N -1 3 394.870 3.582 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827687387 602244361 /nfs/dbraw/zinc/24/43/61/602244361.db2.gz LIQJGUHIYYWVIM-HIFRSBDPSA-N -1 3 380.460 3.649 20 0 GHADHM O=C([O-])CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000833248894 602337916 /nfs/dbraw/zinc/33/79/16/602337916.db2.gz BJBJGMWPLWWNBK-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM O=C([O-])C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CCCC1 ZINC000833248894 602337919 /nfs/dbraw/zinc/33/79/19/602337919.db2.gz BJBJGMWPLWWNBK-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM O=C([O-])C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CCCC1 ZINC000833248894 602337920 /nfs/dbraw/zinc/33/79/20/602337920.db2.gz BJBJGMWPLWWNBK-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000830513886 602364490 /nfs/dbraw/zinc/36/44/90/602364490.db2.gz JDEKVEZRVQOQCA-LJQANCHMSA-N -1 3 382.464 3.539 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830923677 602375914 /nfs/dbraw/zinc/37/59/14/602375914.db2.gz PTADVBJYWVBMOY-UHFFFAOYSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)cc3F)c2-c2nnn[n-]2)C1 ZINC000824967593 607573661 /nfs/dbraw/zinc/57/36/61/607573661.db2.gz KWRHHTSUVBEDKB-ZETCQYMHSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)cc3F)c2-c2nn[n-]n2)C1 ZINC000824967593 607573663 /nfs/dbraw/zinc/57/36/63/607573663.db2.gz KWRHHTSUVBEDKB-ZETCQYMHSA-N -1 3 393.394 3.723 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826454433 607590041 /nfs/dbraw/zinc/59/00/41/607590041.db2.gz WLKZAGXCXGJHME-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826454433 607590043 /nfs/dbraw/zinc/59/00/43/607590043.db2.gz WLKZAGXCXGJHME-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000740708002 603035363 /nfs/dbraw/zinc/03/53/63/603035363.db2.gz XGMQLHJMGPTRIK-INIZCTEOSA-N -1 3 386.427 3.702 20 0 GHADHM C[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825115932 603790514 /nfs/dbraw/zinc/79/05/14/603790514.db2.gz VIWLQIOSHFOAKB-APMMTJHUSA-N -1 3 383.492 3.528 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(Cc2cccc(Br)c2)no1 ZINC000826243370 607660015 /nfs/dbraw/zinc/66/00/15/607660015.db2.gz GJSXWQJUPWTGFV-UHFFFAOYSA-N -1 3 397.236 3.578 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(Cc2cccc(Br)c2)no1 ZINC000826243370 607660016 /nfs/dbraw/zinc/66/00/16/607660016.db2.gz GJSXWQJUPWTGFV-UHFFFAOYSA-N -1 3 397.236 3.578 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826316204 607660659 /nfs/dbraw/zinc/66/06/59/607660659.db2.gz HEMAMOPUNAWVBH-IRXDYDNUSA-N -1 3 379.489 3.531 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826316204 607660661 /nfs/dbraw/zinc/66/06/61/607660661.db2.gz HEMAMOPUNAWVBH-IRXDYDNUSA-N -1 3 379.489 3.531 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000826250045 607680894 /nfs/dbraw/zinc/68/08/94/607680894.db2.gz HZYIJMDLVXNPNI-UHFFFAOYSA-N -1 3 389.419 3.601 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000826250045 607680897 /nfs/dbraw/zinc/68/08/97/607680897.db2.gz HZYIJMDLVXNPNI-UHFFFAOYSA-N -1 3 389.419 3.601 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000826245807 607700648 /nfs/dbraw/zinc/70/06/48/607700648.db2.gz INTUGFBJHMNXFQ-UHFFFAOYSA-N -1 3 385.427 3.634 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000826245807 607700651 /nfs/dbraw/zinc/70/06/51/607700651.db2.gz INTUGFBJHMNXFQ-UHFFFAOYSA-N -1 3 385.427 3.634 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000826246546 607708684 /nfs/dbraw/zinc/70/86/84/607708684.db2.gz GMFBBOQGZILQRQ-SFHVURJKSA-N -1 3 389.459 3.742 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000826246546 607708686 /nfs/dbraw/zinc/70/86/86/607708686.db2.gz GMFBBOQGZILQRQ-SFHVURJKSA-N -1 3 389.459 3.742 20 0 GHADHM C[C@@]1(NCc2nnc(-c3ccccc3Br)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568946 604814961 /nfs/dbraw/zinc/81/49/61/604814961.db2.gz JAIWLYDQTQCLMP-SJKOYZFVSA-N -1 3 394.269 3.622 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833407869 604931513 /nfs/dbraw/zinc/93/15/13/604931513.db2.gz DHLREISVEQYDGD-JSGCOSHPSA-N -1 3 386.414 3.855 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000833416811 604931800 /nfs/dbraw/zinc/93/18/00/604931800.db2.gz FWBBAZLXGLMRHZ-IBGZPJMESA-N -1 3 398.503 3.631 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000825067446 607735139 /nfs/dbraw/zinc/73/51/39/607735139.db2.gz JZXWTIDBLXZVFW-OAHLLOKOSA-N -1 3 397.454 3.663 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000825067446 607735140 /nfs/dbraw/zinc/73/51/40/607735140.db2.gz JZXWTIDBLXZVFW-OAHLLOKOSA-N -1 3 397.454 3.663 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000833411734 605181921 /nfs/dbraw/zinc/18/19/21/605181921.db2.gz DKGFRRGNAUELFR-FPOVZHCZSA-N -1 3 380.488 3.622 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833550307 605281860 /nfs/dbraw/zinc/28/18/60/605281860.db2.gz WDSDJLDWMWNMSW-CZUORRHYSA-N -1 3 386.427 3.873 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825125159 607762268 /nfs/dbraw/zinc/76/22/68/607762268.db2.gz ALYZNVFXKUVMGO-HNNXBMFYSA-N -1 3 382.493 3.868 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825125159 607762269 /nfs/dbraw/zinc/76/22/69/607762269.db2.gz ALYZNVFXKUVMGO-HNNXBMFYSA-N -1 3 382.493 3.868 20 0 GHADHM O=C([O-])NC[C@@H]1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000834225706 605575971 /nfs/dbraw/zinc/57/59/71/605575971.db2.gz NXSIHXGVCSCJBX-HNNXBMFYSA-N -1 3 387.867 3.682 20 0 GHADHM C[C@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccnc1 ZINC000824385084 607768608 /nfs/dbraw/zinc/76/86/08/607768608.db2.gz LJROTKSISJARED-GFCCVEGCSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccnc1 ZINC000824385084 607768609 /nfs/dbraw/zinc/76/86/09/607768609.db2.gz LJROTKSISJARED-GFCCVEGCSA-N -1 3 391.460 3.518 20 0 GHADHM CC(C)CCSCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824249497 607769426 /nfs/dbraw/zinc/76/94/26/607769426.db2.gz OYBFZEJQLLAURL-UHFFFAOYSA-N -1 3 388.522 3.708 20 0 GHADHM CC(C)CCSCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824249497 607769427 /nfs/dbraw/zinc/76/94/27/607769427.db2.gz OYBFZEJQLLAURL-UHFFFAOYSA-N -1 3 388.522 3.708 20 0 GHADHM O=C(CCc1ccccc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409124 607769834 /nfs/dbraw/zinc/76/98/34/607769834.db2.gz JTYIZLBGYRGXEP-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM O=C(CCc1ccccc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409124 607769835 /nfs/dbraw/zinc/76/98/35/607769835.db2.gz JTYIZLBGYRGXEP-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccsc1 ZINC000827036331 605805475 /nfs/dbraw/zinc/80/54/75/605805475.db2.gz RYQOPISWQYQTAD-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1nc2ccccc2cc1-c1nnn[n-]1)CC3 ZINC000822274744 606038667 /nfs/dbraw/zinc/03/86/67/606038667.db2.gz IARPRZLYRRLXCK-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1nc2ccccc2cc1-c1nn[n-]n1)CC3 ZINC000822274744 606038674 /nfs/dbraw/zinc/03/86/74/606038674.db2.gz IARPRZLYRRLXCK-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c2c1 ZINC000822274737 606055096 /nfs/dbraw/zinc/05/50/96/606055096.db2.gz HPZXPRIYKSGWKU-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c2c1 ZINC000822274737 606055101 /nfs/dbraw/zinc/05/51/01/606055101.db2.gz HPZXPRIYKSGWKU-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823531094 606056461 /nfs/dbraw/zinc/05/64/61/606056461.db2.gz YDMOLEYSWZFISK-UHFFFAOYSA-N -1 3 399.458 3.544 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823531094 606056467 /nfs/dbraw/zinc/05/64/67/606056467.db2.gz YDMOLEYSWZFISK-UHFFFAOYSA-N -1 3 399.458 3.544 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000820542824 606065113 /nfs/dbraw/zinc/06/51/13/606065113.db2.gz RDKACZIEPTUSKZ-NSHDSACASA-N -1 3 398.854 3.500 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000820542824 606065117 /nfs/dbraw/zinc/06/51/17/606065117.db2.gz RDKACZIEPTUSKZ-NSHDSACASA-N -1 3 398.854 3.500 20 0 GHADHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819857831 606102599 /nfs/dbraw/zinc/10/25/99/606102599.db2.gz VVKIZJOKCXDJET-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819857831 606102602 /nfs/dbraw/zinc/10/26/02/606102602.db2.gz VVKIZJOKCXDJET-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM O=C(N[C@H]1CCCc2[nH]ccc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823149497 606119338 /nfs/dbraw/zinc/11/93/38/606119338.db2.gz CEAPOTQZPMQDQC-FQEVSTJZSA-N -1 3 384.443 3.669 20 0 GHADHM O=C(N[C@H]1CCCc2[nH]ccc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823149497 606119340 /nfs/dbraw/zinc/11/93/40/606119340.db2.gz CEAPOTQZPMQDQC-FQEVSTJZSA-N -1 3 384.443 3.669 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823368000 606122391 /nfs/dbraw/zinc/12/23/91/606122391.db2.gz QRSOPPQDHZGNEX-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823368000 606122393 /nfs/dbraw/zinc/12/23/93/606122393.db2.gz QRSOPPQDHZGNEX-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000820281102 606137982 /nfs/dbraw/zinc/13/79/82/606137982.db2.gz QXNLUBFLBHDZIC-SECBINFHSA-N -1 3 389.341 3.637 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000820281102 606137983 /nfs/dbraw/zinc/13/79/83/606137983.db2.gz QXNLUBFLBHDZIC-SECBINFHSA-N -1 3 389.341 3.637 20 0 GHADHM COc1csc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000821910420 606148179 /nfs/dbraw/zinc/14/81/79/606148179.db2.gz ACVAMTBNIDMTPM-UHFFFAOYSA-N -1 3 391.456 3.784 20 0 GHADHM COc1csc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000821910420 606148181 /nfs/dbraw/zinc/14/81/81/606148181.db2.gz ACVAMTBNIDMTPM-UHFFFAOYSA-N -1 3 391.456 3.784 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2cccnc2)cc1 ZINC000820322067 606148512 /nfs/dbraw/zinc/14/85/12/606148512.db2.gz QHDGGNWTSPQIDS-DBTPVHCXSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2cccnc2)cc1 ZINC000820322067 606148513 /nfs/dbraw/zinc/14/85/13/606148513.db2.gz QHDGGNWTSPQIDS-DBTPVHCXSA-N -1 3 396.454 3.819 20 0 GHADHM CO[C@@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cs1 ZINC000821675697 606160133 /nfs/dbraw/zinc/16/01/33/606160133.db2.gz RMHDRIWLYRTFLS-AWEZNQCLSA-N -1 3 386.525 3.689 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1OC ZINC000821821699 606174526 /nfs/dbraw/zinc/17/45/26/606174526.db2.gz RUSMUPLMOBAFOF-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1OC ZINC000821821699 606174527 /nfs/dbraw/zinc/17/45/27/606174527.db2.gz RUSMUPLMOBAFOF-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CO[C@H](C)c1nc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821675415 606178570 /nfs/dbraw/zinc/17/85/70/606178570.db2.gz KXCFEJMXSRABNA-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820727857 606188009 /nfs/dbraw/zinc/18/80/09/606188009.db2.gz PSMWJTVFBKHGFJ-BLVKFPJESA-N -1 3 397.479 3.538 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820727857 606188011 /nfs/dbraw/zinc/18/80/11/606188011.db2.gz PSMWJTVFBKHGFJ-BLVKFPJESA-N -1 3 397.479 3.538 20 0 GHADHM CC(C)CN(C(=O)c1occc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081365 606222398 /nfs/dbraw/zinc/22/23/98/606222398.db2.gz DQKHCWTVHWCGEV-UHFFFAOYSA-N -1 3 390.241 3.525 20 0 GHADHM CC(C)CN(C(=O)c1occc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081365 606222399 /nfs/dbraw/zinc/22/23/99/606222399.db2.gz DQKHCWTVHWCGEV-UHFFFAOYSA-N -1 3 390.241 3.525 20 0 GHADHM O[C@@H](C[C@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823672812 606241672 /nfs/dbraw/zinc/24/16/72/606241672.db2.gz HEJHGSZICKNXDY-AEFFLSMTSA-N -1 3 398.898 3.788 20 0 GHADHM O[C@@H](C[C@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823672812 606241673 /nfs/dbraw/zinc/24/16/73/606241673.db2.gz HEJHGSZICKNXDY-AEFFLSMTSA-N -1 3 398.898 3.788 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820548570 606261708 /nfs/dbraw/zinc/26/17/08/606261708.db2.gz CFZWGMCZLYZYPY-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820548570 606261710 /nfs/dbraw/zinc/26/17/10/606261710.db2.gz CFZWGMCZLYZYPY-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCCCOCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821071907 606263460 /nfs/dbraw/zinc/26/34/60/606263460.db2.gz NJSIGSMUFRZWHI-UHFFFAOYSA-N -1 3 397.504 3.564 20 0 GHADHM CCCCOCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821071907 606263462 /nfs/dbraw/zinc/26/34/62/606263462.db2.gz NJSIGSMUFRZWHI-UHFFFAOYSA-N -1 3 397.504 3.564 20 0 GHADHM CC(C)(C)OCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819951622 606264696 /nfs/dbraw/zinc/26/46/96/606264696.db2.gz VAVHTXPKBSXOQS-UHFFFAOYSA-N -1 3 397.504 3.563 20 0 GHADHM CC(C)(C)OCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819951622 606264698 /nfs/dbraw/zinc/26/46/98/606264698.db2.gz VAVHTXPKBSXOQS-UHFFFAOYSA-N -1 3 397.504 3.563 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823061147 606269383 /nfs/dbraw/zinc/26/93/83/606269383.db2.gz XVZUVXSHCXGZAM-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823061147 606269385 /nfs/dbraw/zinc/26/93/85/606269385.db2.gz XVZUVXSHCXGZAM-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)ccc1Br ZINC000823344106 606273235 /nfs/dbraw/zinc/27/32/35/606273235.db2.gz QPTLJNKSKZIIFV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)ccc1Br ZINC000823344106 606273236 /nfs/dbraw/zinc/27/32/36/606273236.db2.gz QPTLJNKSKZIIFV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM C[C@@H](Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1)c1ccccc1 ZINC000820455230 606284268 /nfs/dbraw/zinc/28/42/68/606284268.db2.gz FSDCURUXFGCNAN-CQSZACIVSA-N -1 3 387.447 3.631 20 0 GHADHM C[C@@H](Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1)c1ccccc1 ZINC000820455230 606284270 /nfs/dbraw/zinc/28/42/70/606284270.db2.gz FSDCURUXFGCNAN-CQSZACIVSA-N -1 3 387.447 3.631 20 0 GHADHM COC(=O)[C@H](N[C@H](CC(C)C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642834 606306781 /nfs/dbraw/zinc/30/67/81/606306781.db2.gz QEVPQFWWMLJAOE-WOJBJXKFSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@H](N[C@H](CC(C)C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642834 606306783 /nfs/dbraw/zinc/30/67/83/606306783.db2.gz QEVPQFWWMLJAOE-WOJBJXKFSA-N -1 3 393.491 3.766 20 0 GHADHM O=C1[C@H](Sc2ccc3ccccc3c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513176 606311703 /nfs/dbraw/zinc/31/17/03/606311703.db2.gz TVSRBWICQZBKSI-MRXNPFEDSA-N -1 3 393.497 3.979 20 0 GHADHM O=C1[C@H](Sc2ccc3ccccc3c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513176 606311704 /nfs/dbraw/zinc/31/17/04/606311704.db2.gz TVSRBWICQZBKSI-MRXNPFEDSA-N -1 3 393.497 3.979 20 0 GHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821455927 606326860 /nfs/dbraw/zinc/32/68/60/606326860.db2.gz MSTFLONKPMLUJE-OALUTQOASA-N -1 3 393.516 3.938 20 0 GHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821455927 606326862 /nfs/dbraw/zinc/32/68/62/606326862.db2.gz MSTFLONKPMLUJE-OALUTQOASA-N -1 3 393.516 3.938 20 0 GHADHM O=C(Cc1coc2cc(F)ccc12)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823118688 606336755 /nfs/dbraw/zinc/33/67/55/606336755.db2.gz MHEIXZVWVFWNGK-UHFFFAOYSA-N -1 3 397.435 3.874 20 0 GHADHM O=C(Cc1coc2cc(F)ccc12)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823118688 606336756 /nfs/dbraw/zinc/33/67/56/606336756.db2.gz MHEIXZVWVFWNGK-UHFFFAOYSA-N -1 3 397.435 3.874 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821426707 606340809 /nfs/dbraw/zinc/34/08/09/606340809.db2.gz GWBZHKPLKSNGNF-CYBMUJFWSA-N -1 3 384.461 3.662 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821426707 606340810 /nfs/dbraw/zinc/34/08/10/606340810.db2.gz GWBZHKPLKSNGNF-CYBMUJFWSA-N -1 3 384.461 3.662 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000820151243 606343399 /nfs/dbraw/zinc/34/33/99/606343399.db2.gz DVBWNXQXERBXSW-CKEIUWERSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000820151243 606343401 /nfs/dbraw/zinc/34/34/01/606343401.db2.gz DVBWNXQXERBXSW-CKEIUWERSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000820151246 606343630 /nfs/dbraw/zinc/34/36/30/606343630.db2.gz DVBWNXQXERBXSW-KEYYUXOJSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000820151246 606343632 /nfs/dbraw/zinc/34/36/32/606343632.db2.gz DVBWNXQXERBXSW-KEYYUXOJSA-N -1 3 384.484 3.839 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821604738 606345897 /nfs/dbraw/zinc/34/58/97/606345897.db2.gz DBDNDHOINPSYLH-UHFFFAOYSA-N -1 3 390.422 3.865 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821604738 606345899 /nfs/dbraw/zinc/34/58/99/606345899.db2.gz DBDNDHOINPSYLH-UHFFFAOYSA-N -1 3 390.422 3.865 20 0 GHADHM C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498054 606345934 /nfs/dbraw/zinc/34/59/34/606345934.db2.gz YPMNKFLFIGLQNN-AWEZNQCLSA-N -1 3 375.432 3.975 20 0 GHADHM C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498054 606345936 /nfs/dbraw/zinc/34/59/36/606345936.db2.gz YPMNKFLFIGLQNN-AWEZNQCLSA-N -1 3 375.432 3.975 20 0 GHADHM CC(C)c1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1C(C)(C)C ZINC000820187758 606355078 /nfs/dbraw/zinc/35/50/78/606355078.db2.gz PMJMPIPPFYLCGK-CYBMUJFWSA-N -1 3 382.468 3.860 20 0 GHADHM CC(C)c1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1C(C)(C)C ZINC000820187758 606355080 /nfs/dbraw/zinc/35/50/80/606355080.db2.gz PMJMPIPPFYLCGK-CYBMUJFWSA-N -1 3 382.468 3.860 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820920879 606358800 /nfs/dbraw/zinc/35/88/00/606358800.db2.gz UFGQDEDMEQXTJX-CQSZACIVSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820920879 606358802 /nfs/dbraw/zinc/35/88/02/606358802.db2.gz UFGQDEDMEQXTJX-CQSZACIVSA-N -1 3 376.342 3.557 20 0 GHADHM O=C(CCc1cscn1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822982747 606361763 /nfs/dbraw/zinc/36/17/63/606361763.db2.gz HPGONWLMZLGIQQ-UHFFFAOYSA-N -1 3 393.428 3.654 20 0 GHADHM O=C(CCc1cscn1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822982747 606361767 /nfs/dbraw/zinc/36/17/67/606361767.db2.gz HPGONWLMZLGIQQ-UHFFFAOYSA-N -1 3 393.428 3.654 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339464 606362251 /nfs/dbraw/zinc/36/22/51/606362251.db2.gz CQOKVALKMJGNSF-QMTMVMCOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339464 606362253 /nfs/dbraw/zinc/36/22/53/606362253.db2.gz CQOKVALKMJGNSF-QMTMVMCOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380064 606382170 /nfs/dbraw/zinc/38/21/70/606382170.db2.gz KNVNEPQQYIYLOQ-GFCCVEGCSA-N -1 3 396.426 3.820 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380064 606382172 /nfs/dbraw/zinc/38/21/72/606382172.db2.gz KNVNEPQQYIYLOQ-GFCCVEGCSA-N -1 3 396.426 3.820 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569441 606412225 /nfs/dbraw/zinc/41/22/25/606412225.db2.gz KHWFTNINNLFJTD-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569441 606412226 /nfs/dbraw/zinc/41/22/26/606412226.db2.gz KHWFTNINNLFJTD-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820511665 606436902 /nfs/dbraw/zinc/43/69/02/606436902.db2.gz ASNFDKFOWXVCQM-NEPJUHHUSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820511665 606436904 /nfs/dbraw/zinc/43/69/04/606436904.db2.gz ASNFDKFOWXVCQM-NEPJUHHUSA-N -1 3 379.445 3.825 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821383308 606456987 /nfs/dbraw/zinc/45/69/87/606456987.db2.gz BXPUVFWNBAGFMW-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821383308 606456988 /nfs/dbraw/zinc/45/69/88/606456988.db2.gz BXPUVFWNBAGFMW-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM C[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511639 606468330 /nfs/dbraw/zinc/46/83/30/606468330.db2.gz ACTSWKWWCHWYGW-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511639 606468331 /nfs/dbraw/zinc/46/83/31/606468331.db2.gz ACTSWKWWCHWYGW-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563062 606504504 /nfs/dbraw/zinc/50/45/04/606504504.db2.gz MTZLSSFQAMCVDK-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563062 606504506 /nfs/dbraw/zinc/50/45/06/606504506.db2.gz MTZLSSFQAMCVDK-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563726 606504658 /nfs/dbraw/zinc/50/46/58/606504658.db2.gz UMDLSMKREDKWTR-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563726 606504661 /nfs/dbraw/zinc/50/46/61/606504661.db2.gz UMDLSMKREDKWTR-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000823472255 606510346 /nfs/dbraw/zinc/51/03/46/606510346.db2.gz GAHULUWCXYEFOY-IBGZPJMESA-N -1 3 387.468 3.716 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000823472255 606510347 /nfs/dbraw/zinc/51/03/47/606510347.db2.gz GAHULUWCXYEFOY-IBGZPJMESA-N -1 3 387.468 3.716 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1cccc(Oc2ccccc2)c1 ZINC000823098229 606510478 /nfs/dbraw/zinc/51/04/78/606510478.db2.gz MDGRQFPUMJUDJB-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1cccc(Oc2ccccc2)c1 ZINC000823098229 606510480 /nfs/dbraw/zinc/51/04/80/606510480.db2.gz MDGRQFPUMJUDJB-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM CCOC(=O)c1c(C(C)C)csc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821337569 606510853 /nfs/dbraw/zinc/51/08/53/606510853.db2.gz LEOAGWRSTAOOKD-UHFFFAOYSA-N -1 3 391.478 3.542 20 0 GHADHM CCOC(=O)c1c(C(C)C)csc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821337569 606510854 /nfs/dbraw/zinc/51/08/54/606510854.db2.gz LEOAGWRSTAOOKD-UHFFFAOYSA-N -1 3 391.478 3.542 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000823092845 606544830 /nfs/dbraw/zinc/54/48/30/606544830.db2.gz MQHTZVOPZXWDBJ-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000823092845 606544833 /nfs/dbraw/zinc/54/48/33/606544833.db2.gz MQHTZVOPZXWDBJ-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM CCC(C)(CC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820854490 606573095 /nfs/dbraw/zinc/57/30/95/606573095.db2.gz WELNFNMVGXSLRC-UHFFFAOYSA-N -1 3 381.440 3.754 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N1CCC[C@H]1C ZINC000822211686 606577182 /nfs/dbraw/zinc/57/71/82/606577182.db2.gz KXBYXNNTYIRUME-OAHLLOKOSA-N -1 3 392.463 3.770 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N1CCC[C@H]1C ZINC000822211686 606577183 /nfs/dbraw/zinc/57/71/83/606577183.db2.gz KXBYXNNTYIRUME-OAHLLOKOSA-N -1 3 392.463 3.770 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563499 606581832 /nfs/dbraw/zinc/58/18/32/606581832.db2.gz RJBSLEMFISFGJV-KGLIPLIRSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563499 606581833 /nfs/dbraw/zinc/58/18/33/606581833.db2.gz RJBSLEMFISFGJV-KGLIPLIRSA-N -1 3 383.883 3.713 20 0 GHADHM CCC1(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1 ZINC000820967429 606586526 /nfs/dbraw/zinc/58/65/26/606586526.db2.gz OPZOTNCQXROTAT-UHFFFAOYSA-N -1 3 382.493 3.727 20 0 GHADHM CC(C)c1cnc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1C ZINC000820197508 606590307 /nfs/dbraw/zinc/59/03/07/606590307.db2.gz KLSOLVZMHZSICS-UHFFFAOYSA-N -1 3 380.424 3.617 20 0 GHADHM CC(C)c1cnc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1C ZINC000820197508 606590309 /nfs/dbraw/zinc/59/03/09/606590309.db2.gz KLSOLVZMHZSICS-UHFFFAOYSA-N -1 3 380.424 3.617 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCCCOCC(F)(F)F ZINC000822732872 606598839 /nfs/dbraw/zinc/59/88/39/606598839.db2.gz NFKBADWVXLJACI-UHFFFAOYSA-N -1 3 398.357 3.670 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCCCOCC(F)(F)F ZINC000822732872 606598840 /nfs/dbraw/zinc/59/88/40/606598840.db2.gz NFKBADWVXLJACI-UHFFFAOYSA-N -1 3 398.357 3.670 20 0 GHADHM CC(=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000819765403 606603185 /nfs/dbraw/zinc/60/31/85/606603185.db2.gz PIVLIUJOLWGFPB-NTMALXAHSA-N -1 3 389.337 3.649 20 0 GHADHM CC(=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000819765403 606603186 /nfs/dbraw/zinc/60/31/86/606603186.db2.gz PIVLIUJOLWGFPB-NTMALXAHSA-N -1 3 389.337 3.649 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820675082 606619221 /nfs/dbraw/zinc/61/92/21/606619221.db2.gz HRJOGSHKYGQGHL-OJLMPMFISA-N -1 3 379.386 3.504 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820675082 606619222 /nfs/dbraw/zinc/61/92/22/606619222.db2.gz HRJOGSHKYGQGHL-OJLMPMFISA-N -1 3 379.386 3.504 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1CC(F)(F)C1 ZINC000822211941 606620614 /nfs/dbraw/zinc/62/06/14/606620614.db2.gz UWEOKJJDVNUVEM-UHFFFAOYSA-N -1 3 399.401 3.738 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1CC(F)(F)C1 ZINC000822211941 606620615 /nfs/dbraw/zinc/62/06/15/606620615.db2.gz UWEOKJJDVNUVEM-UHFFFAOYSA-N -1 3 399.401 3.738 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N(C)Cc1ccccc1 ZINC000820550600 606628287 /nfs/dbraw/zinc/62/82/87/606628287.db2.gz XIOARGORCXJNCM-GFCCVEGCSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N(C)Cc1ccccc1 ZINC000820550600 606628288 /nfs/dbraw/zinc/62/82/88/606628288.db2.gz XIOARGORCXJNCM-GFCCVEGCSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000820549346 606630501 /nfs/dbraw/zinc/63/05/01/606630501.db2.gz MJJSEMSSYDCARU-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000820549346 606630503 /nfs/dbraw/zinc/63/05/03/606630503.db2.gz MJJSEMSSYDCARU-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM Clc1ccc(SCc2noc(-c3ccsc3)n2)c(-c2nnn[n-]2)c1 ZINC000822578365 606630691 /nfs/dbraw/zinc/63/06/91/606630691.db2.gz HRYMWHKQVPYDBK-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1ccc(SCc2noc(-c3ccsc3)n2)c(-c2nn[n-]n2)c1 ZINC000822578365 606630692 /nfs/dbraw/zinc/63/06/92/606630692.db2.gz HRYMWHKQVPYDBK-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)ccc1F ZINC000822129689 606633195 /nfs/dbraw/zinc/63/31/95/606633195.db2.gz NQQIISMIDVZGMP-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)ccc1F ZINC000822129689 606633196 /nfs/dbraw/zinc/63/31/96/606633196.db2.gz NQQIISMIDVZGMP-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM FC(F)n1ccnc1CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822736223 606639061 /nfs/dbraw/zinc/63/90/61/606639061.db2.gz AUFWACNYHFORFD-UHFFFAOYSA-N -1 3 397.389 3.649 20 0 GHADHM FC(F)n1ccnc1CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822736223 606639062 /nfs/dbraw/zinc/63/90/62/606639062.db2.gz AUFWACNYHFORFD-UHFFFAOYSA-N -1 3 397.389 3.649 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(F)c(F)c3)c2-c2nnn[n-]2)C1 ZINC000820727727 606664064 /nfs/dbraw/zinc/66/40/64/606664064.db2.gz OHFKURVCJQKONF-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(F)c(F)c3)c2-c2nn[n-]n2)C1 ZINC000820727727 606664065 /nfs/dbraw/zinc/66/40/65/606664065.db2.gz OHFKURVCJQKONF-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM O=C(Nc1ccc(Cl)c2ncccc12)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823331837 606668965 /nfs/dbraw/zinc/66/89/65/606668965.db2.gz HRUDTOKJJMXLSP-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM O=C(Nc1ccc(Cl)c2ncccc12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823331837 606668966 /nfs/dbraw/zinc/66/89/66/606668966.db2.gz HRUDTOKJJMXLSP-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000823454327 606669771 /nfs/dbraw/zinc/66/97/71/606669771.db2.gz NKFCBBQEWYYQBA-UHFFFAOYSA-N -1 3 389.793 3.603 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000823454327 606669772 /nfs/dbraw/zinc/66/97/72/606669772.db2.gz NKFCBBQEWYYQBA-UHFFFAOYSA-N -1 3 389.793 3.603 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1CCc2ccccc2C1 ZINC000821083274 606674274 /nfs/dbraw/zinc/67/42/74/606674274.db2.gz WQLYRTDRDSQXRN-MRXNPFEDSA-N -1 3 397.429 3.555 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2ccccc2C1 ZINC000821083274 606674275 /nfs/dbraw/zinc/67/42/75/606674275.db2.gz WQLYRTDRDSQXRN-MRXNPFEDSA-N -1 3 397.429 3.555 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821681532 606677475 /nfs/dbraw/zinc/67/74/75/606677475.db2.gz NCMOBUVJLURRFU-AWEZNQCLSA-N -1 3 399.882 3.726 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821681532 606677476 /nfs/dbraw/zinc/67/74/76/606677476.db2.gz NCMOBUVJLURRFU-AWEZNQCLSA-N -1 3 399.882 3.726 20 0 GHADHM O=C(NC(C1CCCC1)C1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140725 606681214 /nfs/dbraw/zinc/68/12/14/606681214.db2.gz YNEWTUKTBDOQHJ-UHFFFAOYSA-N -1 3 375.423 3.624 20 0 GHADHM O=C(NC(C1CCCC1)C1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140725 606681215 /nfs/dbraw/zinc/68/12/15/606681215.db2.gz YNEWTUKTBDOQHJ-UHFFFAOYSA-N -1 3 375.423 3.624 20 0 GHADHM CCSCc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821462206 606681794 /nfs/dbraw/zinc/68/17/94/606681794.db2.gz XDLWKUUACCEBPG-UHFFFAOYSA-N -1 3 375.404 3.650 20 0 GHADHM CCSCc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821462206 606681795 /nfs/dbraw/zinc/68/17/95/606681795.db2.gz XDLWKUUACCEBPG-UHFFFAOYSA-N -1 3 375.404 3.650 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822941476 606683523 /nfs/dbraw/zinc/68/35/23/606683523.db2.gz WRGDMYPUBKUAIZ-CQSZACIVSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822941476 606683524 /nfs/dbraw/zinc/68/35/24/606683524.db2.gz WRGDMYPUBKUAIZ-CQSZACIVSA-N -1 3 397.410 3.696 20 0 GHADHM CCc1ccc(CC)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000821480655 606704537 /nfs/dbraw/zinc/70/45/37/606704537.db2.gz CPQUISRZPIJLOT-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM CCc1ccc(CC)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000821480655 606704539 /nfs/dbraw/zinc/70/45/39/606704539.db2.gz CPQUISRZPIJLOT-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM CC[C@H](C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820869557 606707276 /nfs/dbraw/zinc/70/72/76/606707276.db2.gz HRVPSUANVNVUNT-ZDUSSCGKSA-N -1 3 377.452 3.501 20 0 GHADHM CC[C@H](C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820869557 606707277 /nfs/dbraw/zinc/70/72/77/606707277.db2.gz HRVPSUANVNVUNT-ZDUSSCGKSA-N -1 3 377.452 3.501 20 0 GHADHM CC(C)Sc1ccccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820183953 606707994 /nfs/dbraw/zinc/70/79/94/606707994.db2.gz OTNCUEMQOOAYLO-QGZVFWFLSA-N -1 3 394.504 3.585 20 0 GHADHM CC(C)Sc1ccccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820183953 606707996 /nfs/dbraw/zinc/70/79/96/606707996.db2.gz OTNCUEMQOOAYLO-QGZVFWFLSA-N -1 3 394.504 3.585 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)OC2CCCCCC2)c1-c1nnn[n-]1 ZINC000821466744 606726315 /nfs/dbraw/zinc/72/63/15/606726315.db2.gz ZHFPNHXIQGMHFE-NSHDSACASA-N -1 3 377.514 3.865 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)OC2CCCCCC2)c1-c1nn[n-]n1 ZINC000821466744 606726317 /nfs/dbraw/zinc/72/63/17/606726317.db2.gz ZHFPNHXIQGMHFE-NSHDSACASA-N -1 3 377.514 3.865 20 0 GHADHM Clc1cccc([C@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccccn2)c1 ZINC000822585602 606742973 /nfs/dbraw/zinc/74/29/73/606742973.db2.gz GTWGWICDFOSGEK-KRWDZBQOSA-N -1 3 382.880 3.856 20 0 GHADHM Clc1cccc([C@H](NCc2ccc(-c3nn[n-]n3)s2)c2ccccn2)c1 ZINC000822585602 606742975 /nfs/dbraw/zinc/74/29/75/606742975.db2.gz GTWGWICDFOSGEK-KRWDZBQOSA-N -1 3 382.880 3.856 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820397830 606746051 /nfs/dbraw/zinc/74/60/51/606746051.db2.gz VAGCAYNFKSKALM-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820397830 606746053 /nfs/dbraw/zinc/74/60/53/606746053.db2.gz VAGCAYNFKSKALM-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM CCCCN1CCc2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc21 ZINC000821066255 606747189 /nfs/dbraw/zinc/74/71/89/606747189.db2.gz SBUWTVVNXQJVAV-UHFFFAOYSA-N -1 3 398.417 3.560 20 0 GHADHM CCCCN1CCc2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc21 ZINC000821066255 606747191 /nfs/dbraw/zinc/74/71/91/606747191.db2.gz SBUWTVVNXQJVAV-UHFFFAOYSA-N -1 3 398.417 3.560 20 0 GHADHM COc1cc(COc2cc(Cl)ccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821717738 606784859 /nfs/dbraw/zinc/78/48/59/606784859.db2.gz WTSLLGYUNRWZEH-UHFFFAOYSA-N -1 3 382.754 3.709 20 0 GHADHM COc1cc(COc2cc(Cl)ccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821717738 606784860 /nfs/dbraw/zinc/78/48/60/606784860.db2.gz WTSLLGYUNRWZEH-UHFFFAOYSA-N -1 3 382.754 3.709 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000822741538 606797355 /nfs/dbraw/zinc/79/73/55/606797355.db2.gz YKRTYDWTTIYCER-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000822741538 606797356 /nfs/dbraw/zinc/79/73/56/606797356.db2.gz YKRTYDWTTIYCER-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM CCOc1cccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1OC(F)F ZINC000821431013 606799107 /nfs/dbraw/zinc/79/91/07/606799107.db2.gz JYUWMIUUUCKECN-UHFFFAOYSA-N -1 3 397.332 3.757 20 0 GHADHM CCOc1cccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1OC(F)F ZINC000821431013 606799109 /nfs/dbraw/zinc/79/91/09/606799109.db2.gz JYUWMIUUUCKECN-UHFFFAOYSA-N -1 3 397.332 3.757 20 0 GHADHM CCN(C(=O)Cc1ccc(C)cc1Cl)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155415 606799622 /nfs/dbraw/zinc/79/96/22/606799622.db2.gz YWSBLUILTNELEZ-CQSZACIVSA-N -1 3 383.883 3.981 20 0 GHADHM CCN(C(=O)Cc1ccc(C)cc1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155415 606799624 /nfs/dbraw/zinc/79/96/24/606799624.db2.gz YWSBLUILTNELEZ-CQSZACIVSA-N -1 3 383.883 3.981 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000821838528 606800713 /nfs/dbraw/zinc/80/07/13/606800713.db2.gz ONYQPAXLJCHARQ-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000821838528 606800715 /nfs/dbraw/zinc/80/07/15/606800715.db2.gz ONYQPAXLJCHARQ-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)n1 ZINC000820192447 606808774 /nfs/dbraw/zinc/80/87/74/606808774.db2.gz OGTWURWRGJVPIF-UHFFFAOYSA-N -1 3 382.493 3.968 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)n1 ZINC000820192447 606808776 /nfs/dbraw/zinc/80/87/76/606808776.db2.gz OGTWURWRGJVPIF-UHFFFAOYSA-N -1 3 382.493 3.968 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCSC3)c2-c2nnn[n-]2)C1 ZINC000819906298 606808810 /nfs/dbraw/zinc/80/88/10/606808810.db2.gz DRAFUTWWTTVFJS-GHMZBOCLSA-N -1 3 391.566 3.771 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCSC3)c2-c2nn[n-]n2)C1 ZINC000819906298 606808812 /nfs/dbraw/zinc/80/88/12/606808812.db2.gz DRAFUTWWTTVFJS-GHMZBOCLSA-N -1 3 391.566 3.771 20 0 GHADHM Cc1nc(COC(=O)c2cccc(-c3nnn[n-]3)c2)oc1-c1ccc(Cl)cc1 ZINC000822444109 606817317 /nfs/dbraw/zinc/81/73/17/606817317.db2.gz BANYZSIKAPEXHI-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1nc(COC(=O)c2cccc(-c3nn[n-]n3)c2)oc1-c1ccc(Cl)cc1 ZINC000822444109 606817319 /nfs/dbraw/zinc/81/73/19/606817319.db2.gz BANYZSIKAPEXHI-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM O[C@H](CSc1nc(-c2ccc(F)cc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823698377 606846600 /nfs/dbraw/zinc/84/66/00/606846600.db2.gz POHJOEMUPIOWEX-MRXNPFEDSA-N -1 3 399.476 3.955 20 0 GHADHM O[C@H](CSc1nc(-c2ccc(F)cc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823698377 606846601 /nfs/dbraw/zinc/84/66/01/606846601.db2.gz POHJOEMUPIOWEX-MRXNPFEDSA-N -1 3 399.476 3.955 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1F ZINC000823303666 606850292 /nfs/dbraw/zinc/85/02/92/606850292.db2.gz QGSAEJVGUFSYTN-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1F ZINC000823303666 606850293 /nfs/dbraw/zinc/85/02/93/606850293.db2.gz QGSAEJVGUFSYTN-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cccc(F)c1 ZINC000820550255 606851092 /nfs/dbraw/zinc/85/10/92/606851092.db2.gz WDMWUFBYYXENIZ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cccc(F)c1 ZINC000820550255 606851094 /nfs/dbraw/zinc/85/10/94/606851094.db2.gz WDMWUFBYYXENIZ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821831766 606851630 /nfs/dbraw/zinc/85/16/30/606851630.db2.gz LTZUNVQJBBRGGV-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821831766 606851631 /nfs/dbraw/zinc/85/16/31/606851631.db2.gz LTZUNVQJBBRGGV-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CCCC(=O)Nc1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000821009648 606863399 /nfs/dbraw/zinc/86/33/99/606863399.db2.gz XSHXYRFYRNOAFZ-UHFFFAOYSA-N -1 3 394.479 3.795 20 0 GHADHM CCCC(=O)Nc1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000821009648 606863400 /nfs/dbraw/zinc/86/34/00/606863400.db2.gz XSHXYRFYRNOAFZ-UHFFFAOYSA-N -1 3 394.479 3.795 20 0 GHADHM c1ccc(Oc2ccc(NCCCOc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000823791539 606866279 /nfs/dbraw/zinc/86/62/79/606866279.db2.gz DPKDDANLHSFDFF-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM c1ccc(Oc2ccc(NCCCOc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000823791539 606866281 /nfs/dbraw/zinc/86/62/81/606866281.db2.gz DPKDDANLHSFDFF-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)cc1 ZINC000822137878 606879966 /nfs/dbraw/zinc/87/99/66/606879966.db2.gz XMKWUFNXGSAUNA-HUUCEWRRSA-N -1 3 377.448 3.980 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)cc1 ZINC000822137878 606879967 /nfs/dbraw/zinc/87/99/67/606879967.db2.gz XMKWUFNXGSAUNA-HUUCEWRRSA-N -1 3 377.448 3.980 20 0 GHADHM CC(C)c1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000820192750 606914545 /nfs/dbraw/zinc/91/45/45/606914545.db2.gz XZCDEAACPAHAQF-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM CC(C)c1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000820192750 606914549 /nfs/dbraw/zinc/91/45/49/606914549.db2.gz XZCDEAACPAHAQF-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM CC(C)Oc1ncccc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820177822 606921803 /nfs/dbraw/zinc/92/18/03/606921803.db2.gz BCOCMCKDBLNQKE-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ncccc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820177822 606921805 /nfs/dbraw/zinc/92/18/05/606921805.db2.gz BCOCMCKDBLNQKE-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM FC(F)(F)[C@H](NCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822714973 606922053 /nfs/dbraw/zinc/92/20/53/606922053.db2.gz YDCVIZPQSJZEKU-MRXNPFEDSA-N -1 3 377.370 3.529 20 0 GHADHM FC(F)(F)[C@H](NCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822714973 606922055 /nfs/dbraw/zinc/92/20/55/606922055.db2.gz YDCVIZPQSJZEKU-MRXNPFEDSA-N -1 3 377.370 3.529 20 0 GHADHM Cc1ccc(CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2)o1 ZINC000822237363 606927026 /nfs/dbraw/zinc/92/70/26/606927026.db2.gz QJJYCBWFOCXBHD-FQEVSTJZSA-N -1 3 393.422 3.647 20 0 GHADHM Cc1ccc(CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2)o1 ZINC000822237363 606927028 /nfs/dbraw/zinc/92/70/28/606927028.db2.gz QJJYCBWFOCXBHD-FQEVSTJZSA-N -1 3 393.422 3.647 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823373099 606928157 /nfs/dbraw/zinc/92/81/57/606928157.db2.gz QJQWPHKJJBFYMR-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823373099 606928159 /nfs/dbraw/zinc/92/81/59/606928159.db2.gz QJQWPHKJJBFYMR-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OCC(F)(F)F ZINC000822209798 606929522 /nfs/dbraw/zinc/92/95/22/606929522.db2.gz XUQVZPIRHZUGGA-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OCC(F)(F)F ZINC000822209798 606929523 /nfs/dbraw/zinc/92/95/23/606929523.db2.gz XUQVZPIRHZUGGA-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820495598 606951905 /nfs/dbraw/zinc/95/19/05/606951905.db2.gz IMNJNNKWZJTYHV-CQSZACIVSA-N -1 3 395.463 3.676 20 0 GHADHM C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820495598 606951907 /nfs/dbraw/zinc/95/19/07/606951907.db2.gz IMNJNNKWZJTYHV-CQSZACIVSA-N -1 3 395.463 3.676 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)O1 ZINC000820675447 606956688 /nfs/dbraw/zinc/95/66/88/606956688.db2.gz JDLMSZYUENWQMG-FZKQIMNGSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)O1 ZINC000820675447 606956690 /nfs/dbraw/zinc/95/66/90/606956690.db2.gz JDLMSZYUENWQMG-FZKQIMNGSA-N -1 3 397.866 3.621 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC3(CCC3)C2)cc1 ZINC000822137546 606958431 /nfs/dbraw/zinc/95/84/31/606958431.db2.gz VHCXSTVXFAKUMR-UHFFFAOYSA-N -1 3 389.459 3.984 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC3(CCC3)C2)cc1 ZINC000822137546 606958433 /nfs/dbraw/zinc/95/84/33/606958433.db2.gz VHCXSTVXFAKUMR-UHFFFAOYSA-N -1 3 389.459 3.984 20 0 GHADHM Cc1cccc(CSCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822303834 606961719 /nfs/dbraw/zinc/96/17/19/606961719.db2.gz LLVLIJXKZSVGJG-UHFFFAOYSA-N -1 3 387.896 3.725 20 0 GHADHM Cc1cccc(CSCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822303834 606961720 /nfs/dbraw/zinc/96/17/20/606961720.db2.gz LLVLIJXKZSVGJG-UHFFFAOYSA-N -1 3 387.896 3.725 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821077408 606962025 /nfs/dbraw/zinc/96/20/25/606962025.db2.gz FDIVFQPAUBHOQI-UHFFFAOYSA-N -1 3 385.855 3.976 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821077408 606962027 /nfs/dbraw/zinc/96/20/27/606962027.db2.gz FDIVFQPAUBHOQI-UHFFFAOYSA-N -1 3 385.855 3.976 20 0 GHADHM CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821574645 606969809 /nfs/dbraw/zinc/96/98/09/606969809.db2.gz QASAKPOBJUTYAW-UHFFFAOYSA-N -1 3 379.367 3.755 20 0 GHADHM CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821574645 606969810 /nfs/dbraw/zinc/96/98/10/606969810.db2.gz QASAKPOBJUTYAW-UHFFFAOYSA-N -1 3 379.367 3.755 20 0 GHADHM C[C@H](CC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccncc1 ZINC000820225482 607006390 /nfs/dbraw/zinc/00/63/90/607006390.db2.gz JREZEROZHXHKNM-GFCCVEGCSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@H](CC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccncc1 ZINC000820225482 607006393 /nfs/dbraw/zinc/00/63/93/607006393.db2.gz JREZEROZHXHKNM-GFCCVEGCSA-N -1 3 391.460 3.518 20 0 GHADHM Cc1ccc(CSCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822240219 607017575 /nfs/dbraw/zinc/01/75/75/607017575.db2.gz XTCZVMKLBLKETC-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1ccc(CSCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822240219 607017579 /nfs/dbraw/zinc/01/75/79/607017579.db2.gz XTCZVMKLBLKETC-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000821117873 607042697 /nfs/dbraw/zinc/04/26/97/607042697.db2.gz CCRKPYVXDKEASI-GOSISDBHSA-N -1 3 394.504 3.658 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000821119449 607043299 /nfs/dbraw/zinc/04/32/99/607043299.db2.gz ZNGPZNBWJSXCFW-BENRWUELSA-N -1 3 399.458 3.889 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000820548491 607093113 /nfs/dbraw/zinc/09/31/13/607093113.db2.gz ATGMEKOANDNKDI-NOZJJQNGSA-N -1 3 390.852 3.580 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000820548491 607093115 /nfs/dbraw/zinc/09/31/15/607093115.db2.gz ATGMEKOANDNKDI-NOZJJQNGSA-N -1 3 390.852 3.580 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000821305004 607102416 /nfs/dbraw/zinc/10/24/16/607102416.db2.gz VBRPRNOAANCCOY-UHFFFAOYSA-N -1 3 399.458 3.976 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc(-c2ccco2)sc1C ZINC000821309230 607102465 /nfs/dbraw/zinc/10/24/65/607102465.db2.gz KYXCOYHQGFUJSN-UHFFFAOYSA-N -1 3 395.448 3.576 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CC12CCC2 ZINC000823350248 607126266 /nfs/dbraw/zinc/12/62/66/607126266.db2.gz FZFNWJKZUHZMLN-SFHVURJKSA-N -1 3 375.432 3.574 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CC12CCC2 ZINC000823350248 607126267 /nfs/dbraw/zinc/12/62/67/607126267.db2.gz FZFNWJKZUHZMLN-SFHVURJKSA-N -1 3 375.432 3.574 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000822403723 607139460 /nfs/dbraw/zinc/13/94/60/607139460.db2.gz SMGIGNFPOIDWDS-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000822403723 607139461 /nfs/dbraw/zinc/13/94/61/607139461.db2.gz SMGIGNFPOIDWDS-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM O=C(Cc1ccc(O)cc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823082223 607142986 /nfs/dbraw/zinc/14/29/86/607142986.db2.gz DLLIWJGHQDVFBI-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Cc1ccc(O)cc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823082223 607142987 /nfs/dbraw/zinc/14/29/87/607142987.db2.gz DLLIWJGHQDVFBI-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c(Br)s1 ZINC000822183414 607151050 /nfs/dbraw/zinc/15/10/50/607151050.db2.gz GOKJRTZOISBCBB-UHFFFAOYSA-N -1 3 398.311 3.930 20 0 GHADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c(Br)s1 ZINC000822183414 607151052 /nfs/dbraw/zinc/15/10/52/607151052.db2.gz GOKJRTZOISBCBB-UHFFFAOYSA-N -1 3 398.311 3.930 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823257386 607153839 /nfs/dbraw/zinc/15/38/39/607153839.db2.gz LAQBYXIXPBXEHN-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823257386 607153841 /nfs/dbraw/zinc/15/38/41/607153841.db2.gz LAQBYXIXPBXEHN-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820937953 607156626 /nfs/dbraw/zinc/15/66/26/607156626.db2.gz FRFWYSBWJNJXIM-KRWDZBQOSA-N -1 3 387.484 3.720 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820937953 607156627 /nfs/dbraw/zinc/15/66/27/607156627.db2.gz FRFWYSBWJNJXIM-KRWDZBQOSA-N -1 3 387.484 3.720 20 0 GHADHM c1cc2c3c(ccc(NCc4nnc(-c5ccc(-c6nnn[n-]6)cc5)o4)c3c1)CC2 ZINC000823766571 607166596 /nfs/dbraw/zinc/16/65/96/607166596.db2.gz FJNDDGGPSCHIDU-UHFFFAOYSA-N -1 3 395.426 3.781 20 0 GHADHM c1cc2c3c(ccc(NCc4nnc(-c5ccc(-c6nn[n-]n6)cc5)o4)c3c1)CC2 ZINC000823766571 607166597 /nfs/dbraw/zinc/16/65/97/607166597.db2.gz FJNDDGGPSCHIDU-UHFFFAOYSA-N -1 3 395.426 3.781 20 0 GHADHM CSC[C@@H]1CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821962900 607166670 /nfs/dbraw/zinc/16/66/70/607166670.db2.gz YGIUAYALMLRMPV-SFHVURJKSA-N -1 3 394.504 3.578 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822462033 607191089 /nfs/dbraw/zinc/19/10/89/607191089.db2.gz CCNVVKOCFNOCCG-UHFFFAOYSA-N -1 3 392.850 3.866 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822462033 607191090 /nfs/dbraw/zinc/19/10/90/607191090.db2.gz CCNVVKOCFNOCCG-UHFFFAOYSA-N -1 3 392.850 3.866 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820073908 607193806 /nfs/dbraw/zinc/19/38/06/607193806.db2.gz WTWLPBWWUWFNDD-CYBMUJFWSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820073908 607193807 /nfs/dbraw/zinc/19/38/07/607193807.db2.gz WTWLPBWWUWFNDD-CYBMUJFWSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(F)c1 ZINC000819988066 607196240 /nfs/dbraw/zinc/19/62/40/607196240.db2.gz RYYPTGLUDDOCML-UHFFFAOYSA-N -1 3 392.797 3.855 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(F)c1 ZINC000819988066 607196241 /nfs/dbraw/zinc/19/62/41/607196241.db2.gz RYYPTGLUDDOCML-UHFFFAOYSA-N -1 3 392.797 3.855 20 0 GHADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821882816 607196580 /nfs/dbraw/zinc/19/65/80/607196580.db2.gz LMAXCGZQYSUJOZ-UHFFFAOYSA-N -1 3 386.843 3.586 20 0 GHADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821882816 607196581 /nfs/dbraw/zinc/19/65/81/607196581.db2.gz LMAXCGZQYSUJOZ-UHFFFAOYSA-N -1 3 386.843 3.586 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000823318299 607197054 /nfs/dbraw/zinc/19/70/54/607197054.db2.gz BNNVJRXEFBKBNH-SJORKVTESA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000823318299 607197055 /nfs/dbraw/zinc/19/70/55/607197055.db2.gz BNNVJRXEFBKBNH-SJORKVTESA-N -1 3 398.854 3.562 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)ccc1F ZINC000820375078 607197996 /nfs/dbraw/zinc/19/79/96/607197996.db2.gz XRKMCWSYPOTVFB-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)ccc1F ZINC000820375078 607197997 /nfs/dbraw/zinc/19/79/97/607197997.db2.gz XRKMCWSYPOTVFB-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(F)cccc1F ZINC000820375090 607203456 /nfs/dbraw/zinc/20/34/56/607203456.db2.gz YBEAOWZYZFASTD-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(F)cccc1F ZINC000820375090 607203457 /nfs/dbraw/zinc/20/34/57/607203457.db2.gz YBEAOWZYZFASTD-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(C(F)F)ccc1Cl ZINC000823249520 607204640 /nfs/dbraw/zinc/20/46/40/607204640.db2.gz BWDAIOJFNXRKPI-UHFFFAOYSA-N -1 3 396.760 3.919 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(C(F)F)ccc1Cl ZINC000823249520 607204641 /nfs/dbraw/zinc/20/46/41/607204641.db2.gz BWDAIOJFNXRKPI-UHFFFAOYSA-N -1 3 396.760 3.919 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822232819 607242832 /nfs/dbraw/zinc/24/28/32/607242832.db2.gz BMWVUACVLNHSFE-MAUKXSAKSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822232819 607242833 /nfs/dbraw/zinc/24/28/33/607242833.db2.gz BMWVUACVLNHSFE-MAUKXSAKSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822210606 607242872 /nfs/dbraw/zinc/24/28/72/607242872.db2.gz KLAYSTYGRYESAF-UHFFFAOYSA-N -1 3 385.783 3.744 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822210606 607242873 /nfs/dbraw/zinc/24/28/73/607242873.db2.gz KLAYSTYGRYESAF-UHFFFAOYSA-N -1 3 385.783 3.744 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2ccccc2Cl)on1 ZINC000823449933 607245501 /nfs/dbraw/zinc/24/55/01/607245501.db2.gz FMJPFGIMPPKXRT-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2ccccc2Cl)on1 ZINC000823449933 607245502 /nfs/dbraw/zinc/24/55/02/607245502.db2.gz FMJPFGIMPPKXRT-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM CC[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(OC)cc1 ZINC000825082975 607783022 /nfs/dbraw/zinc/78/30/22/607783022.db2.gz WGQGFKUUPYNESY-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM CC[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(OC)cc1 ZINC000825082975 607783023 /nfs/dbraw/zinc/78/30/23/607783023.db2.gz WGQGFKUUPYNESY-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM CCC(C)(C)c1ccc(CN[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825042879 607784652 /nfs/dbraw/zinc/78/46/52/607784652.db2.gz AUXTXGPXBOMRAB-IBGZPJMESA-N -1 3 393.491 3.558 20 0 GHADHM CCC(C)(C)c1ccc(CN[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825042879 607784653 /nfs/dbraw/zinc/78/46/53/607784653.db2.gz AUXTXGPXBOMRAB-IBGZPJMESA-N -1 3 393.491 3.558 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824457256 607787892 /nfs/dbraw/zinc/78/78/92/607787892.db2.gz IGKVRYHRFUIYHJ-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824457256 607787893 /nfs/dbraw/zinc/78/78/93/607787893.db2.gz IGKVRYHRFUIYHJ-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379276 607796622 /nfs/dbraw/zinc/79/66/22/607796622.db2.gz FRLCXMLOEQJJIR-UHFFFAOYSA-N -1 3 390.422 3.678 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379276 607796623 /nfs/dbraw/zinc/79/66/23/607796623.db2.gz FRLCXMLOEQJJIR-UHFFFAOYSA-N -1 3 390.422 3.678 20 0 GHADHM CCN(C(=O)c1cc(C)sc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379205 607796664 /nfs/dbraw/zinc/79/66/64/607796664.db2.gz CKKHHZDUMRXMNC-UHFFFAOYSA-N -1 3 392.282 3.666 20 0 GHADHM CCN(C(=O)c1cc(C)sc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379205 607796665 /nfs/dbraw/zinc/79/66/65/607796665.db2.gz CKKHHZDUMRXMNC-UHFFFAOYSA-N -1 3 392.282 3.666 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2OCC1CC1)c1sccc1-c1nnn[n-]1 ZINC000826462778 607802586 /nfs/dbraw/zinc/80/25/86/607802586.db2.gz IMXYAARBVJNFEV-INIZCTEOSA-N -1 3 382.445 3.561 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824458693 607822633 /nfs/dbraw/zinc/82/26/33/607822633.db2.gz XMODSRWVLUREBC-CYBMUJFWSA-N -1 3 381.867 3.504 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824458693 607822634 /nfs/dbraw/zinc/82/26/34/607822634.db2.gz XMODSRWVLUREBC-CYBMUJFWSA-N -1 3 381.867 3.504 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119569 607826686 /nfs/dbraw/zinc/82/66/86/607826686.db2.gz LBRJFBQEOCRTGG-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119569 607826687 /nfs/dbraw/zinc/82/66/87/607826687.db2.gz LBRJFBQEOCRTGG-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CCN(Cc1cccs1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825439997 607832996 /nfs/dbraw/zinc/83/29/96/607832996.db2.gz XRGYPJKYTJWBII-UHFFFAOYSA-N -1 3 382.276 3.897 20 0 GHADHM CCN(Cc1cccs1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825439997 607832997 /nfs/dbraw/zinc/83/29/97/607832997.db2.gz XRGYPJKYTJWBII-UHFFFAOYSA-N -1 3 382.276 3.897 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4ccc5cc(-c6nnn[n-]6)ccc5n4)C3)nc2c1 ZINC000826524246 607840100 /nfs/dbraw/zinc/84/01/00/607840100.db2.gz NZHQRBLQZBYYID-INIZCTEOSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4ccc5cc(-c6nn[n-]n6)ccc5n4)C3)nc2c1 ZINC000826524246 607840101 /nfs/dbraw/zinc/84/01/01/607840101.db2.gz NZHQRBLQZBYYID-INIZCTEOSA-N -1 3 397.442 3.940 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000824756594 607844489 /nfs/dbraw/zinc/84/44/89/607844489.db2.gz PAYPDJREOVKCAQ-LLVKDONJSA-N -1 3 383.868 3.954 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000824756594 607844490 /nfs/dbraw/zinc/84/44/90/607844490.db2.gz PAYPDJREOVKCAQ-LLVKDONJSA-N -1 3 383.868 3.954 20 0 GHADHM O[C@H](COc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504290 607869858 /nfs/dbraw/zinc/86/98/58/607869858.db2.gz SDKMOEMIQXBGQJ-CYBMUJFWSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@H](COc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504290 607869859 /nfs/dbraw/zinc/86/98/59/607869859.db2.gz SDKMOEMIQXBGQJ-CYBMUJFWSA-N -1 3 385.638 3.939 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826242725 607873994 /nfs/dbraw/zinc/87/39/94/607873994.db2.gz CECSTGIZLWCQMI-OAHLLOKOSA-N -1 3 378.354 3.615 20 0 GHADHM CCN(C(=O)c1sccc1SC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390766 607878995 /nfs/dbraw/zinc/87/89/95/607878995.db2.gz MBNYYULHBIETMD-UHFFFAOYSA-N -1 3 379.898 3.970 20 0 GHADHM CCN(C(=O)c1sccc1SC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390766 607878996 /nfs/dbraw/zinc/87/89/96/607878996.db2.gz MBNYYULHBIETMD-UHFFFAOYSA-N -1 3 379.898 3.970 20 0 GHADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000825829662 607917033 /nfs/dbraw/zinc/91/70/33/607917033.db2.gz ILHVLSLTPNLTEQ-UHFFFAOYSA-N -1 3 399.410 3.539 20 0 GHADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000825829662 607917034 /nfs/dbraw/zinc/91/70/34/607917034.db2.gz ILHVLSLTPNLTEQ-UHFFFAOYSA-N -1 3 399.410 3.539 20 0 GHADHM C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824705752 607945136 /nfs/dbraw/zinc/94/51/36/607945136.db2.gz DBBJAKLIZGCRJZ-VIFPVBQESA-N -1 3 380.301 3.541 20 0 GHADHM C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824705752 607945137 /nfs/dbraw/zinc/94/51/37/607945137.db2.gz DBBJAKLIZGCRJZ-VIFPVBQESA-N -1 3 380.301 3.541 20 0 GHADHM O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399012 607947154 /nfs/dbraw/zinc/94/71/54/607947154.db2.gz KIAOVGICUZPCNQ-UXHICEINSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399012 607947155 /nfs/dbraw/zinc/94/71/55/607947155.db2.gz KIAOVGICUZPCNQ-UXHICEINSA-N -1 3 381.439 3.713 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826323122 607949051 /nfs/dbraw/zinc/94/90/51/607949051.db2.gz RCMSUZHZPCKVKN-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826323122 607949052 /nfs/dbraw/zinc/94/90/52/607949052.db2.gz RCMSUZHZPCKVKN-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM O=C(c1sc2ccccc2c1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826475869 607949600 /nfs/dbraw/zinc/94/96/00/607949600.db2.gz UEJZKJIBXWTCIY-UHFFFAOYSA-N -1 3 381.848 3.938 20 0 GHADHM O=C(c1sc2ccccc2c1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826475869 607949601 /nfs/dbraw/zinc/94/96/01/607949601.db2.gz UEJZKJIBXWTCIY-UHFFFAOYSA-N -1 3 381.848 3.938 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262455 607979775 /nfs/dbraw/zinc/97/97/75/607979775.db2.gz PFJMSOJAKBNDJX-YJYMSZOUSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262455 607979776 /nfs/dbraw/zinc/97/97/76/607979776.db2.gz PFJMSOJAKBNDJX-YJYMSZOUSA-N -1 3 394.454 3.826 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000824255149 607980061 /nfs/dbraw/zinc/98/00/61/607980061.db2.gz AITVSIOTJWIWMK-UHFFFAOYSA-N -1 3 377.439 3.677 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000824255149 607980062 /nfs/dbraw/zinc/98/00/62/607980062.db2.gz AITVSIOTJWIWMK-UHFFFAOYSA-N -1 3 377.439 3.677 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1CCC(F)(F)F ZINC000826464385 607981488 /nfs/dbraw/zinc/98/14/88/607981488.db2.gz UWPICINDZUMPNR-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1CCC(F)(F)F ZINC000826464385 607981489 /nfs/dbraw/zinc/98/14/89/607981489.db2.gz UWPICINDZUMPNR-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1nc(Cl)ccc1F ZINC000826460381 608000456 /nfs/dbraw/zinc/00/04/56/608000456.db2.gz AIYIJBOTMRHYOR-UHFFFAOYSA-N -1 3 392.847 3.637 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1nc(Cl)ccc1F ZINC000826460381 608000457 /nfs/dbraw/zinc/00/04/57/608000457.db2.gz AIYIJBOTMRHYOR-UHFFFAOYSA-N -1 3 392.847 3.637 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826273697 608007267 /nfs/dbraw/zinc/00/72/67/608007267.db2.gz QBIGSPGTDWNEEK-UHFFFAOYSA-N -1 3 379.355 3.613 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826273697 608007268 /nfs/dbraw/zinc/00/72/68/608007268.db2.gz QBIGSPGTDWNEEK-UHFFFAOYSA-N -1 3 379.355 3.613 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824224775 608029598 /nfs/dbraw/zinc/02/95/98/608029598.db2.gz QUFKEEPEASMWGZ-MRXNPFEDSA-N -1 3 383.402 3.763 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824224775 608029599 /nfs/dbraw/zinc/02/95/99/608029599.db2.gz QUFKEEPEASMWGZ-MRXNPFEDSA-N -1 3 383.402 3.763 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826245324 608032365 /nfs/dbraw/zinc/03/23/65/608032365.db2.gz UUVCAQYXCSFRFA-LJQANCHMSA-N -1 3 375.476 3.803 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826245324 608032366 /nfs/dbraw/zinc/03/23/66/608032366.db2.gz UUVCAQYXCSFRFA-LJQANCHMSA-N -1 3 375.476 3.803 20 0 GHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1c(C)noc1C ZINC000825148079 608052069 /nfs/dbraw/zinc/05/20/69/608052069.db2.gz NZFQIAZTMCIVMQ-GFCCVEGCSA-N -1 3 377.246 3.797 20 0 GHADHM Clc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826353301 608066937 /nfs/dbraw/zinc/06/69/37/608066937.db2.gz JRDRWJJJZXZBOB-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353301 608066938 /nfs/dbraw/zinc/06/69/38/608066938.db2.gz JRDRWJJJZXZBOB-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM CCCCC[C@H](C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000825268625 608081662 /nfs/dbraw/zinc/08/16/62/608081662.db2.gz WMZIDFUGGGWJPE-RBUKOAKNSA-N -1 3 385.512 3.619 20 0 GHADHM CCCCC[C@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000825268625 608081663 /nfs/dbraw/zinc/08/16/63/608081663.db2.gz WMZIDFUGGGWJPE-RBUKOAKNSA-N -1 3 385.512 3.619 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825075276 608085490 /nfs/dbraw/zinc/08/54/90/608085490.db2.gz OAWVJGNCDVJYST-MGPUTAFESA-N -1 3 391.475 3.594 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825075276 608085491 /nfs/dbraw/zinc/08/54/91/608085491.db2.gz OAWVJGNCDVJYST-MGPUTAFESA-N -1 3 391.475 3.594 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499067 608098567 /nfs/dbraw/zinc/09/85/67/608098567.db2.gz NHAFVISMFJVQES-CKFHNAJUSA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499067 608098568 /nfs/dbraw/zinc/09/85/68/608098568.db2.gz NHAFVISMFJVQES-CKFHNAJUSA-N -1 3 376.464 3.551 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081703 608106398 /nfs/dbraw/zinc/10/63/98/608106398.db2.gz MKTNVAIJLVXNNV-QWHCGFSZSA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081703 608106399 /nfs/dbraw/zinc/10/63/99/608106399.db2.gz MKTNVAIJLVXNNV-QWHCGFSZSA-N -1 3 394.483 3.794 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC(C)(C)C1 ZINC000824975125 608139681 /nfs/dbraw/zinc/13/96/81/608139681.db2.gz JGOPCBHAICIQAW-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC(C)(C)C1 ZINC000824975125 608139682 /nfs/dbraw/zinc/13/96/82/608139682.db2.gz JGOPCBHAICIQAW-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000825688380 608156445 /nfs/dbraw/zinc/15/64/45/608156445.db2.gz XCLKHQKFGGXFFE-QMMMGPOBSA-N -1 3 377.420 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000825688380 608156446 /nfs/dbraw/zinc/15/64/46/608156446.db2.gz XCLKHQKFGGXFFE-QMMMGPOBSA-N -1 3 377.420 3.819 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000826474000 608171305 /nfs/dbraw/zinc/17/13/05/608171305.db2.gz WWCXWGGVKBMBBT-UHFFFAOYSA-N -1 3 396.454 3.534 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000826474000 608171306 /nfs/dbraw/zinc/17/13/06/608171306.db2.gz WWCXWGGVKBMBBT-UHFFFAOYSA-N -1 3 396.454 3.534 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284820 608183064 /nfs/dbraw/zinc/18/30/64/608183064.db2.gz NQYJIRDGISQIPZ-LLVKDONJSA-N -1 3 390.394 3.575 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284820 608183066 /nfs/dbraw/zinc/18/30/66/608183066.db2.gz NQYJIRDGISQIPZ-LLVKDONJSA-N -1 3 390.394 3.575 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082668 608183520 /nfs/dbraw/zinc/18/35/20/608183520.db2.gz UQUHBYMDAVKQLO-CHWSQXEVSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082668 608183522 /nfs/dbraw/zinc/18/35/22/608183522.db2.gz UQUHBYMDAVKQLO-CHWSQXEVSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082672 608184360 /nfs/dbraw/zinc/18/43/60/608184360.db2.gz UQUHBYMDAVKQLO-QWHCGFSZSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082672 608184362 /nfs/dbraw/zinc/18/43/62/608184362.db2.gz UQUHBYMDAVKQLO-QWHCGFSZSA-N -1 3 380.452 3.830 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000824757402 608205605 /nfs/dbraw/zinc/20/56/05/608205605.db2.gz WBIUWBRLQNQEKM-GFCCVEGCSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000824757402 608205607 /nfs/dbraw/zinc/20/56/07/608205607.db2.gz WBIUWBRLQNQEKM-GFCCVEGCSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N(C)C1CCCCC1 ZINC000824753024 608205805 /nfs/dbraw/zinc/20/58/05/608205805.db2.gz BGCVEGFCYJFFEH-NSHDSACASA-N -1 3 379.917 3.792 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N(C)C1CCCCC1 ZINC000824753024 608205807 /nfs/dbraw/zinc/20/58/07/608205807.db2.gz BGCVEGFCYJFFEH-NSHDSACASA-N -1 3 379.917 3.792 20 0 GHADHM Cc1csc([C@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)n1 ZINC000826320440 608225663 /nfs/dbraw/zinc/22/56/63/608225663.db2.gz QWFUJDGNKKSDRF-HNNXBMFYSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)n1 ZINC000826320440 608225664 /nfs/dbraw/zinc/22/56/64/608225664.db2.gz QWFUJDGNKKSDRF-HNNXBMFYSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1cccc(NC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1 ZINC000826299773 608230742 /nfs/dbraw/zinc/23/07/42/608230742.db2.gz USEIPNVRVPYVHY-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM Cc1cccc(NC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826299773 608230744 /nfs/dbraw/zinc/23/07/44/608230744.db2.gz USEIPNVRVPYVHY-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(F)cc1Br ZINC000826184503 608236026 /nfs/dbraw/zinc/23/60/26/608236026.db2.gz ZLDDXXNMXNOHRS-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(F)cc1Br ZINC000826184503 608236028 /nfs/dbraw/zinc/23/60/28/608236028.db2.gz ZLDDXXNMXNOHRS-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367506 608236377 /nfs/dbraw/zinc/23/63/77/608236377.db2.gz RLLVWZVFIIDMRZ-LBPRGKRZSA-N -1 3 389.381 3.707 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367506 608236379 /nfs/dbraw/zinc/23/63/79/608236379.db2.gz RLLVWZVFIIDMRZ-LBPRGKRZSA-N -1 3 389.381 3.707 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccc(C)cc2)o1 ZINC000826173595 608262567 /nfs/dbraw/zinc/26/25/67/608262567.db2.gz LGBDMACKAUPURT-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccc(C)cc2)o1 ZINC000826173595 608262568 /nfs/dbraw/zinc/26/25/68/608262568.db2.gz LGBDMACKAUPURT-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824450764 608265257 /nfs/dbraw/zinc/26/52/57/608265257.db2.gz ZJNNFLRQCZGTKX-SECBINFHSA-N -1 3 392.282 3.508 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824450764 608265259 /nfs/dbraw/zinc/26/52/59/608265259.db2.gz ZJNNFLRQCZGTKX-SECBINFHSA-N -1 3 392.282 3.508 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000826274921 608272316 /nfs/dbraw/zinc/27/23/16/608272316.db2.gz IYDAANLCMNKPNC-RKDXNWHRSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000826274921 608272318 /nfs/dbraw/zinc/27/23/18/608272318.db2.gz IYDAANLCMNKPNC-RKDXNWHRSA-N -1 3 394.323 3.892 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824457139 608299032 /nfs/dbraw/zinc/29/90/32/608299032.db2.gz FRQIWFRXLVAKJF-INIZCTEOSA-N -1 3 386.459 3.749 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824457139 608299035 /nfs/dbraw/zinc/29/90/35/608299035.db2.gz FRQIWFRXLVAKJF-INIZCTEOSA-N -1 3 386.459 3.749 20 0 GHADHM Cc1cc(C)c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000826262860 608301361 /nfs/dbraw/zinc/30/13/61/608301361.db2.gz ASAHUGNQUIEPCR-UHFFFAOYSA-N -1 3 377.492 3.772 20 0 GHADHM Cc1cc(C)c(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000826262860 608301362 /nfs/dbraw/zinc/30/13/62/608301362.db2.gz ASAHUGNQUIEPCR-UHFFFAOYSA-N -1 3 377.492 3.772 20 0 GHADHM Cc1cc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(C)c1 ZINC000826263223 608302273 /nfs/dbraw/zinc/30/22/73/608302273.db2.gz QLPYEVDBHYWDOL-UHFFFAOYSA-N -1 3 387.390 3.575 20 0 GHADHM Cc1cc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(C)c1 ZINC000826263223 608302275 /nfs/dbraw/zinc/30/22/75/608302275.db2.gz QLPYEVDBHYWDOL-UHFFFAOYSA-N -1 3 387.390 3.575 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN2CCCC[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826332256 608312152 /nfs/dbraw/zinc/31/21/52/608312152.db2.gz OSDWRNLMSPSRFO-KRWDZBQOSA-N -1 3 389.463 3.681 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@H]1C ZINC000824953848 608314573 /nfs/dbraw/zinc/31/45/73/608314573.db2.gz HJHGUHOMDPQUJS-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C[C@H]1C ZINC000824953848 608314576 /nfs/dbraw/zinc/31/45/76/608314576.db2.gz HJHGUHOMDPQUJS-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cc(-c2ccccc2)on1 ZINC000826173523 608322733 /nfs/dbraw/zinc/32/27/33/608322733.db2.gz HVUJQIJZKOLSTD-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cc(-c2ccccc2)on1 ZINC000826173523 608322736 /nfs/dbraw/zinc/32/27/36/608322736.db2.gz HVUJQIJZKOLSTD-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823968271 608327094 /nfs/dbraw/zinc/32/70/94/608327094.db2.gz YTRPBJQLPUCVSR-UHFFFAOYSA-N -1 3 391.475 3.545 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823968271 608327096 /nfs/dbraw/zinc/32/70/96/608327096.db2.gz YTRPBJQLPUCVSR-UHFFFAOYSA-N -1 3 391.475 3.545 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376347 608342092 /nfs/dbraw/zinc/34/20/92/608342092.db2.gz FKFFUZUNZJRGQQ-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376347 608342094 /nfs/dbraw/zinc/34/20/94/608342094.db2.gz FKFFUZUNZJRGQQ-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CCN(C(=O)c1csc(CC(C)C)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390305 608344364 /nfs/dbraw/zinc/34/43/64/608344364.db2.gz DALUPOQJEOQODT-UHFFFAOYSA-N -1 3 390.900 3.842 20 0 GHADHM CCN(C(=O)c1csc(CC(C)C)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390305 608344366 /nfs/dbraw/zinc/34/43/66/608344366.db2.gz DALUPOQJEOQODT-UHFFFAOYSA-N -1 3 390.900 3.842 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000826169573 608353756 /nfs/dbraw/zinc/35/37/56/608353756.db2.gz XCONVJZDLKDPRF-MRXNPFEDSA-N -1 3 392.488 3.822 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CCC[C@@H]1C1CC1 ZINC000826441014 608358968 /nfs/dbraw/zinc/35/89/68/608358968.db2.gz JWBJSIZZGYFJKE-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CCC[C@@H]1C1CC1 ZINC000826441014 608358970 /nfs/dbraw/zinc/35/89/70/608358970.db2.gz JWBJSIZZGYFJKE-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM Fc1c(CN2CCCC[C@@H]2c2nc3ccccc3o2)cccc1-c1nnn[n-]1 ZINC000826370954 608408985 /nfs/dbraw/zinc/40/89/85/608408985.db2.gz MUHFDWBZECNLCY-MRXNPFEDSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1c(CN2CCCC[C@@H]2c2nc3ccccc3o2)cccc1-c1nn[n-]n1 ZINC000826370954 608408986 /nfs/dbraw/zinc/40/89/86/608408986.db2.gz MUHFDWBZECNLCY-MRXNPFEDSA-N -1 3 378.411 3.874 20 0 GHADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(Cl)c1 ZINC000825149174 608433753 /nfs/dbraw/zinc/43/37/53/608433753.db2.gz WEGHOQJNGSDQSK-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(Cl)c1 ZINC000825149174 608433754 /nfs/dbraw/zinc/43/37/54/608433754.db2.gz WEGHOQJNGSDQSK-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(Cl)c1 ZINC000825149399 608434015 /nfs/dbraw/zinc/43/40/15/608434015.db2.gz XVFUQWROLHUUTI-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(Cl)c1 ZINC000825149399 608434016 /nfs/dbraw/zinc/43/40/16/608434016.db2.gz XVFUQWROLHUUTI-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM Clc1ccc(C[C@H](Nc2ncccc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000826351954 608443827 /nfs/dbraw/zinc/44/38/27/608443827.db2.gz ICVBMIZUPVWZFG-KRWDZBQOSA-N -1 3 377.839 3.706 20 0 GHADHM Clc1ccc(C[C@H](Nc2ncccc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000826351954 608443828 /nfs/dbraw/zinc/44/38/28/608443828.db2.gz ICVBMIZUPVWZFG-KRWDZBQOSA-N -1 3 377.839 3.706 20 0 GHADHM C[C@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627325 608465808 /nfs/dbraw/zinc/46/58/08/608465808.db2.gz WZGOOZPLYJANHL-NSHDSACASA-N -1 3 382.374 3.651 20 0 GHADHM Cc1ccc(F)c(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826289419 608469361 /nfs/dbraw/zinc/46/93/61/608469361.db2.gz ZDNVLTKZXAZZDW-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1ccc(F)c(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826289419 608469362 /nfs/dbraw/zinc/46/93/62/608469362.db2.gz ZDNVLTKZXAZZDW-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM O=C(Nc1cc(Cl)ccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826451349 608469814 /nfs/dbraw/zinc/46/98/14/608469814.db2.gz CCCZVNLCTXKWHC-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1cc(Cl)ccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826451349 608469815 /nfs/dbraw/zinc/46/98/15/608469815.db2.gz CCCZVNLCTXKWHC-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM C[C@H](NC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccs1 ZINC000824521849 608474940 /nfs/dbraw/zinc/47/49/40/608474940.db2.gz NONZWIKLZFAGOU-ZDUSSCGKSA-N -1 3 396.545 3.653 20 0 GHADHM C[C@H](NC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccs1 ZINC000824521849 608474942 /nfs/dbraw/zinc/47/49/42/608474942.db2.gz NONZWIKLZFAGOU-ZDUSSCGKSA-N -1 3 396.545 3.653 20 0 GHADHM Cc1cccc(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826299508 608475644 /nfs/dbraw/zinc/47/56/44/608475644.db2.gz IHTOQMDLHYWHBK-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM Cc1cccc(NC(=S)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826299508 608475645 /nfs/dbraw/zinc/47/56/45/608475645.db2.gz IHTOQMDLHYWHBK-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM O=C(CCCc1cccs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826407054 608478962 /nfs/dbraw/zinc/47/89/62/608478962.db2.gz YZYDLYRUTFJHHO-UHFFFAOYSA-N -1 3 379.489 3.567 20 0 GHADHM O=C(CCCc1cccs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826407054 608478964 /nfs/dbraw/zinc/47/89/64/608478964.db2.gz YZYDLYRUTFJHHO-UHFFFAOYSA-N -1 3 379.489 3.567 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826401329 608479163 /nfs/dbraw/zinc/47/91/63/608479163.db2.gz VRUDUZAOPVLVOT-WAPJZHGLSA-N -1 3 396.454 3.677 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826401329 608479164 /nfs/dbraw/zinc/47/91/64/608479164.db2.gz VRUDUZAOPVLVOT-WAPJZHGLSA-N -1 3 396.454 3.677 20 0 GHADHM CCc1sc(-c2nnc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)o2)cc1C ZINC000825782794 608482519 /nfs/dbraw/zinc/48/25/19/608482519.db2.gz PRCJGLNVNFSCAO-GFCCVEGCSA-N -1 3 395.492 3.700 20 0 GHADHM CCc1sc(-c2nnc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000825782794 608482520 /nfs/dbraw/zinc/48/25/20/608482520.db2.gz PRCJGLNVNFSCAO-GFCCVEGCSA-N -1 3 395.492 3.700 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824770010 608523467 /nfs/dbraw/zinc/52/34/67/608523467.db2.gz CKCOYHRXMURQQW-JTQLQIEISA-N -1 3 378.299 3.884 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824770010 608523468 /nfs/dbraw/zinc/52/34/68/608523468.db2.gz CKCOYHRXMURQQW-JTQLQIEISA-N -1 3 378.299 3.884 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCC1=O ZINC000824867736 608539283 /nfs/dbraw/zinc/53/92/83/608539283.db2.gz QWHZCBAQEBATHP-YPMHNXCESA-N -1 3 381.461 3.539 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCC1=O ZINC000824867736 608539285 /nfs/dbraw/zinc/53/92/85/608539285.db2.gz QWHZCBAQEBATHP-YPMHNXCESA-N -1 3 381.461 3.539 20 0 GHADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc(-c2ccccc2)c[nH]1 ZINC000825149355 608540378 /nfs/dbraw/zinc/54/03/78/608540378.db2.gz XJKOSIYXYBSGTK-AWEZNQCLSA-N -1 3 380.843 3.868 20 0 GHADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc(-c2ccccc2)c[nH]1 ZINC000825149355 608540380 /nfs/dbraw/zinc/54/03/80/608540380.db2.gz XJKOSIYXYBSGTK-AWEZNQCLSA-N -1 3 380.843 3.868 20 0 GHADHM CCCN(Cc1occc1Br)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825323523 608545915 /nfs/dbraw/zinc/54/59/15/608545915.db2.gz XVCWNFNKNJUAMU-UHFFFAOYSA-N -1 3 376.258 3.634 20 0 GHADHM CCCN(Cc1occc1Br)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825323523 608545916 /nfs/dbraw/zinc/54/59/16/608545916.db2.gz XVCWNFNKNJUAMU-UHFFFAOYSA-N -1 3 376.258 3.634 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1c(F)cccc1Cl ZINC000824634303 608553413 /nfs/dbraw/zinc/55/34/13/608553413.db2.gz VIQUUXADQALHJV-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1c(F)cccc1Cl ZINC000824634303 608553414 /nfs/dbraw/zinc/55/34/14/608553414.db2.gz VIQUUXADQALHJV-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM CSc1ccc(C)c(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230053 608591767 /nfs/dbraw/zinc/59/17/67/608591767.db2.gz BOWMELJMUYHXLD-UHFFFAOYSA-N -1 3 385.518 3.769 20 0 GHADHM CSc1ccc(C)c(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230053 608591769 /nfs/dbraw/zinc/59/17/69/608591769.db2.gz BOWMELJMUYHXLD-UHFFFAOYSA-N -1 3 385.518 3.769 20 0 GHADHM CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825966045 608644748 /nfs/dbraw/zinc/64/47/48/608644748.db2.gz LMGDKJWVSCZRCM-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)cc1Br ZINC000826260362 608669561 /nfs/dbraw/zinc/66/95/61/608669561.db2.gz KNOQZRPVXXCXMH-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)cc1Br ZINC000826260362 608669562 /nfs/dbraw/zinc/66/95/62/608669562.db2.gz KNOQZRPVXXCXMH-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM Fc1c(CSc2nncn2-c2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826371817 608670209 /nfs/dbraw/zinc/67/02/09/608670209.db2.gz VPHILGJSYQJMSF-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1c(CSc2nncn2-c2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826371817 608670210 /nfs/dbraw/zinc/67/02/10/608670210.db2.gz VPHILGJSYQJMSF-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000826520065 608676271 /nfs/dbraw/zinc/67/62/71/608676271.db2.gz ZHMKKPGQRJPIKJ-HNNXBMFYSA-N -1 3 393.476 3.705 20 0 GHADHM c1cc(-c2nn[n-]n2)sc1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000826520065 608676272 /nfs/dbraw/zinc/67/62/72/608676272.db2.gz ZHMKKPGQRJPIKJ-HNNXBMFYSA-N -1 3 393.476 3.705 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000824738783 608824201 /nfs/dbraw/zinc/82/42/01/608824201.db2.gz RCVUWAXMXQTGEY-XHDPSFHLSA-N -1 3 398.385 3.688 20 0 GHADHM CC(C)(C)c1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000824135857 608853611 /nfs/dbraw/zinc/85/36/11/608853611.db2.gz JEVIGHHQGGOQOG-KRWDZBQOSA-N -1 3 383.521 3.799 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824908585 609149228 /nfs/dbraw/zinc/14/92/28/609149228.db2.gz PYUDIVKAANOIBN-SKDRFNHKSA-N -1 3 391.344 3.631 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825782806 609152430 /nfs/dbraw/zinc/15/24/30/609152430.db2.gz QHHDWYKTWPDFAK-QWHCGFSZSA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825782806 609152431 /nfs/dbraw/zinc/15/24/31/609152431.db2.gz QHHDWYKTWPDFAK-QWHCGFSZSA-N -1 3 379.443 3.787 20 0 GHADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826181184 609158336 /nfs/dbraw/zinc/15/83/36/609158336.db2.gz ONRYMQYBXDUFOR-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(OC)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826181184 609158338 /nfs/dbraw/zinc/15/83/38/609158338.db2.gz ONRYMQYBXDUFOR-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000826234167 609166370 /nfs/dbraw/zinc/16/63/70/609166370.db2.gz KNWAJSLMGUMJAE-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826234167 609166372 /nfs/dbraw/zinc/16/63/72/609166372.db2.gz KNWAJSLMGUMJAE-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM CSCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826228144 609167696 /nfs/dbraw/zinc/16/76/96/609167696.db2.gz GLGGOJZRYVZYMC-UHFFFAOYSA-N -1 3 384.509 3.746 20 0 GHADHM CSCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826228144 609167698 /nfs/dbraw/zinc/16/76/98/609167698.db2.gz GLGGOJZRYVZYMC-UHFFFAOYSA-N -1 3 384.509 3.746 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000826234115 609168148 /nfs/dbraw/zinc/16/81/48/609168148.db2.gz IQFOPPJCYDXMQY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000826234115 609168149 /nfs/dbraw/zinc/16/81/49/609168149.db2.gz IQFOPPJCYDXMQY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ncc(Cl)cc1Cl ZINC000826167818 609173767 /nfs/dbraw/zinc/17/37/67/609173767.db2.gz RWIBOBIAZCGVOR-UHFFFAOYSA-N -1 3 386.626 3.810 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ncc(Cl)cc1Cl ZINC000826167818 609173768 /nfs/dbraw/zinc/17/37/68/609173768.db2.gz RWIBOBIAZCGVOR-UHFFFAOYSA-N -1 3 386.626 3.810 20 0 GHADHM COc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1N1CCCCC1=O ZINC000826210083 609175932 /nfs/dbraw/zinc/17/59/32/609175932.db2.gz CWOMKNOZHVQOQY-CQSZACIVSA-N -1 3 392.463 3.565 20 0 GHADHM COc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1N1CCCCC1=O ZINC000826210083 609175933 /nfs/dbraw/zinc/17/59/33/609175933.db2.gz CWOMKNOZHVQOQY-CQSZACIVSA-N -1 3 392.463 3.565 20 0 GHADHM CC(=O)Nc1c(C)ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1C ZINC000823993855 609180233 /nfs/dbraw/zinc/18/02/33/609180233.db2.gz AWBDQOCQIPRINT-IBGZPJMESA-N -1 3 376.464 3.931 20 0 GHADHM CC(=O)Nc1c(C)ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1C ZINC000823993855 609180235 /nfs/dbraw/zinc/18/02/35/609180235.db2.gz AWBDQOCQIPRINT-IBGZPJMESA-N -1 3 376.464 3.931 20 0 GHADHM Cc1cnc([C@@H](C)NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)o1 ZINC000826317685 609201118 /nfs/dbraw/zinc/20/11/18/609201118.db2.gz KZAYRASWTODXJF-OAHLLOKOSA-N -1 3 390.447 3.593 20 0 GHADHM Cc1cnc([C@@H](C)NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)o1 ZINC000826317685 609201120 /nfs/dbraw/zinc/20/11/20/609201120.db2.gz KZAYRASWTODXJF-OAHLLOKOSA-N -1 3 390.447 3.593 20 0 GHADHM C[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662242 609279438 /nfs/dbraw/zinc/27/94/38/609279438.db2.gz GLJZTBXTSNATMN-ZDUSSCGKSA-N -1 3 379.855 3.938 20 0 GHADHM C[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662242 609279439 /nfs/dbraw/zinc/27/94/39/609279439.db2.gz GLJZTBXTSNATMN-ZDUSSCGKSA-N -1 3 379.855 3.938 20 0 GHADHM C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CCO1 ZINC000824991475 609280136 /nfs/dbraw/zinc/28/01/36/609280136.db2.gz BLAPLQYAYRBMSS-QVKFZJNVSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@@H]1CN(c2ccc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)CCO1 ZINC000824991475 609280138 /nfs/dbraw/zinc/28/01/38/609280138.db2.gz BLAPLQYAYRBMSS-QVKFZJNVSA-N -1 3 390.491 3.581 20 0 GHADHM c1cc(N2CCSCC2)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826516835 609280503 /nfs/dbraw/zinc/28/05/03/609280503.db2.gz DPWGXALLUBNMGF-HXUWFJFHSA-N -1 3 392.532 3.909 20 0 GHADHM c1cc(N2CCSCC2)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826516835 609280505 /nfs/dbraw/zinc/28/05/05/609280505.db2.gz DPWGXALLUBNMGF-HXUWFJFHSA-N -1 3 392.532 3.909 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC000824520782 609292665 /nfs/dbraw/zinc/29/26/65/609292665.db2.gz FCTJVDSNLAJIAB-CYBMUJFWSA-N -1 3 396.882 3.611 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC000824520782 609292667 /nfs/dbraw/zinc/29/26/67/609292667.db2.gz FCTJVDSNLAJIAB-CYBMUJFWSA-N -1 3 396.882 3.611 20 0 GHADHM FC(F)Oc1ccc([C@@H](NCc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826369952 609297611 /nfs/dbraw/zinc/29/76/11/609297611.db2.gz WPJGDLZOYBIZGV-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826369952 609297612 /nfs/dbraw/zinc/29/76/12/609297612.db2.gz WPJGDLZOYBIZGV-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429111 609314952 /nfs/dbraw/zinc/31/49/52/609314952.db2.gz UOXNHRRYTFODRG-RTBURBONSA-N -1 3 397.438 3.945 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429111 609314953 /nfs/dbraw/zinc/31/49/53/609314953.db2.gz UOXNHRRYTFODRG-RTBURBONSA-N -1 3 397.438 3.945 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826155397 609315273 /nfs/dbraw/zinc/31/52/73/609315273.db2.gz ORRLQRRBIUSEEC-CQSZACIVSA-N -1 3 395.463 3.969 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826155397 609315275 /nfs/dbraw/zinc/31/52/75/609315275.db2.gz ORRLQRRBIUSEEC-CQSZACIVSA-N -1 3 395.463 3.969 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826434682 609315286 /nfs/dbraw/zinc/31/52/86/609315286.db2.gz UXBYSFPNYZDBEV-HNNXBMFYSA-N -1 3 375.432 3.745 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826434682 609315288 /nfs/dbraw/zinc/31/52/88/609315288.db2.gz UXBYSFPNYZDBEV-HNNXBMFYSA-N -1 3 375.432 3.745 20 0 GHADHM COCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155150 609322815 /nfs/dbraw/zinc/32/28/15/609322815.db2.gz IKUBKGMBUCJNEF-CQSZACIVSA-N -1 3 381.358 3.977 20 0 GHADHM COCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155150 609322817 /nfs/dbraw/zinc/32/28/17/609322817.db2.gz IKUBKGMBUCJNEF-CQSZACIVSA-N -1 3 381.358 3.977 20 0 GHADHM C[C@H](N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539649 609331694 /nfs/dbraw/zinc/33/16/94/609331694.db2.gz PBXVMUNGGBUITP-RQUSPXKASA-N -1 3 385.418 3.716 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825599090 609346205 /nfs/dbraw/zinc/34/62/05/609346205.db2.gz HFEHNKAJHHEAHG-CQSZACIVSA-N -1 3 385.443 3.732 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825599090 609346207 /nfs/dbraw/zinc/34/62/07/609346207.db2.gz HFEHNKAJHHEAHG-CQSZACIVSA-N -1 3 385.443 3.732 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000826318046 609351798 /nfs/dbraw/zinc/35/17/98/609351798.db2.gz TYYCKEITUYDQEV-CYBMUJFWSA-N -1 3 391.387 3.873 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000826318046 609351801 /nfs/dbraw/zinc/35/18/01/609351801.db2.gz TYYCKEITUYDQEV-CYBMUJFWSA-N -1 3 391.387 3.873 20 0 GHADHM Fc1cccc(Cl)c1CN1CCC(Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826377281 609354439 /nfs/dbraw/zinc/35/44/39/609354439.db2.gz LLALGUXFKDYOLQ-UHFFFAOYSA-N -1 3 386.862 3.736 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824762124 609355918 /nfs/dbraw/zinc/35/59/18/609355918.db2.gz DXIQWHLWGFLDEB-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824762124 609355921 /nfs/dbraw/zinc/35/59/21/609355921.db2.gz DXIQWHLWGFLDEB-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)n1 ZINC000825739218 609425071 /nfs/dbraw/zinc/42/50/71/609425071.db2.gz BRCOWVWWTUCJET-CYBMUJFWSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)n1 ZINC000825739218 609425073 /nfs/dbraw/zinc/42/50/73/609425073.db2.gz BRCOWVWWTUCJET-CYBMUJFWSA-N -1 3 391.504 3.818 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)n1 ZINC000826369193 609430366 /nfs/dbraw/zinc/43/03/66/609430366.db2.gz RKLINPJCRAHUEM-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)n1 ZINC000826369193 609430368 /nfs/dbraw/zinc/43/03/68/609430368.db2.gz RKLINPJCRAHUEM-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)C1 ZINC000824926631 609450206 /nfs/dbraw/zinc/45/02/06/609450206.db2.gz KLFDLCDMJVCSMR-SUMWQHHRSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)C1 ZINC000824926631 609450207 /nfs/dbraw/zinc/45/02/07/609450207.db2.gz KLFDLCDMJVCSMR-SUMWQHHRSA-N -1 3 380.452 3.542 20 0 GHADHM Cc1ncsc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826331308 609484054 /nfs/dbraw/zinc/48/40/54/609484054.db2.gz CIYJBLXUHDEHMG-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ncsc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826331308 609484057 /nfs/dbraw/zinc/48/40/57/609484057.db2.gz CIYJBLXUHDEHMG-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000826116975 609487339 /nfs/dbraw/zinc/48/73/39/609487339.db2.gz GEBYJXQOCMJUMY-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000826116975 609487342 /nfs/dbraw/zinc/48/73/42/609487342.db2.gz GEBYJXQOCMJUMY-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc(OC(C)C)c2)cc1-c1nnn[n-]1 ZINC000825552985 609487736 /nfs/dbraw/zinc/48/77/36/609487736.db2.gz HAWWVKODYAOYGB-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc(OC(C)C)c2)cc1-c1nn[n-]n1 ZINC000825552985 609487738 /nfs/dbraw/zinc/48/77/38/609487738.db2.gz HAWWVKODYAOYGB-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CC(C)Oc1ccc(NCc2c(Cl)n(C)nc2C(C)C)cc1-c1nnn[n-]1 ZINC000824328805 609491775 /nfs/dbraw/zinc/49/17/75/609491775.db2.gz AXHUWNIOTZMBRO-UHFFFAOYSA-N -1 3 389.891 3.776 20 0 GHADHM CC(C)Oc1ccc(NCc2c(Cl)n(C)nc2C(C)C)cc1-c1nn[n-]n1 ZINC000824328805 609491776 /nfs/dbraw/zinc/49/17/76/609491776.db2.gz AXHUWNIOTZMBRO-UHFFFAOYSA-N -1 3 389.891 3.776 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826333177 609493673 /nfs/dbraw/zinc/49/36/73/609493673.db2.gz XLPYMMVMHQKKBF-UHFFFAOYSA-N -1 3 389.463 3.760 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826333177 609493675 /nfs/dbraw/zinc/49/36/75/609493675.db2.gz XLPYMMVMHQKKBF-UHFFFAOYSA-N -1 3 389.463 3.760 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCO1 ZINC000825184332 609529556 /nfs/dbraw/zinc/52/95/56/609529556.db2.gz SDOYGLNRSCJUSF-UONOGXRCSA-N -1 3 383.477 3.739 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCO1 ZINC000825184332 609529559 /nfs/dbraw/zinc/52/95/59/609529559.db2.gz SDOYGLNRSCJUSF-UONOGXRCSA-N -1 3 383.477 3.739 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ncc(C)cc2C)c1-c1nnn[n-]1 ZINC000826317409 609531308 /nfs/dbraw/zinc/53/13/08/609531308.db2.gz CBCLVVHUBKUSRR-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ncc(C)cc2C)c1-c1nn[n-]n1 ZINC000826317409 609531310 /nfs/dbraw/zinc/53/13/10/609531310.db2.gz CBCLVVHUBKUSRR-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825181031 609531822 /nfs/dbraw/zinc/53/18/22/609531822.db2.gz BSVKZYQVUHBZBI-GDBMZVCRSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825181031 609531825 /nfs/dbraw/zinc/53/18/25/609531825.db2.gz BSVKZYQVUHBZBI-GDBMZVCRSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825183391 609553443 /nfs/dbraw/zinc/55/34/43/609553443.db2.gz OLEWEAOVSWNQRD-NVXWUHKLSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825183391 609553445 /nfs/dbraw/zinc/55/34/45/609553445.db2.gz OLEWEAOVSWNQRD-NVXWUHKLSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(-c3cccnc3)cc2)c1-c1nnn[n-]1 ZINC000826240550 609563714 /nfs/dbraw/zinc/56/37/14/609563714.db2.gz ZMQSGBJMZOZIKT-UHFFFAOYSA-N -1 3 377.839 3.898 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(-c3cccnc3)cc2)c1-c1nn[n-]n1 ZINC000826240550 609563718 /nfs/dbraw/zinc/56/37/18/609563718.db2.gz ZMQSGBJMZOZIKT-UHFFFAOYSA-N -1 3 377.839 3.898 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCC2 ZINC000826328303 609565776 /nfs/dbraw/zinc/56/57/76/609565776.db2.gz MVCXLRPLTQXTAF-SNVBAGLBSA-N -1 3 381.387 3.535 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCC2 ZINC000826328303 609565778 /nfs/dbraw/zinc/56/57/78/609565778.db2.gz MVCXLRPLTQXTAF-SNVBAGLBSA-N -1 3 381.387 3.535 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826238524 609567126 /nfs/dbraw/zinc/56/71/26/609567126.db2.gz IPICFUHGJMMVBX-XLKFXECMSA-N -1 3 397.241 3.550 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826238524 609567129 /nfs/dbraw/zinc/56/71/29/609567129.db2.gz IPICFUHGJMMVBX-XLKFXECMSA-N -1 3 397.241 3.550 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3nccc(C)c3-c3nnn[n-]3)n2)c1 ZINC000826295647 609570550 /nfs/dbraw/zinc/57/05/50/609570550.db2.gz REKBSZCLOMKPKR-KRWDZBQOSA-N -1 3 386.463 3.610 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3nccc(C)c3-c3nn[n-]n3)n2)c1 ZINC000826295647 609570552 /nfs/dbraw/zinc/57/05/52/609570552.db2.gz REKBSZCLOMKPKR-KRWDZBQOSA-N -1 3 386.463 3.610 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000826368160 609579965 /nfs/dbraw/zinc/57/99/65/609579965.db2.gz DYKPAGJSMUUGEU-MYSGNRETSA-N -1 3 386.381 3.963 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000826368160 609579968 /nfs/dbraw/zinc/57/99/68/609579968.db2.gz DYKPAGJSMUUGEU-MYSGNRETSA-N -1 3 386.381 3.963 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000826368159 609580134 /nfs/dbraw/zinc/58/01/34/609580134.db2.gz DYKPAGJSMUUGEU-CKXPSTMWSA-N -1 3 386.381 3.963 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000826368159 609580136 /nfs/dbraw/zinc/58/01/36/609580136.db2.gz DYKPAGJSMUUGEU-CKXPSTMWSA-N -1 3 386.381 3.963 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833645 609588871 /nfs/dbraw/zinc/58/88/71/609588871.db2.gz JTZQATHFKQONCT-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833645 609588874 /nfs/dbraw/zinc/58/88/74/609588874.db2.gz JTZQATHFKQONCT-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825181658 609590994 /nfs/dbraw/zinc/59/09/94/609590994.db2.gz FMMYEHHXUDGMJG-JKSUJKDBSA-N -1 3 394.431 3.770 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825181658 609590995 /nfs/dbraw/zinc/59/09/95/609590995.db2.gz FMMYEHHXUDGMJG-JKSUJKDBSA-N -1 3 394.431 3.770 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ncoc1-c1ccccc1 ZINC000826465417 609613740 /nfs/dbraw/zinc/61/37/40/609613740.db2.gz MMYSEUMJAKUUQU-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ncoc1-c1ccccc1 ZINC000826465417 609613742 /nfs/dbraw/zinc/61/37/42/609613742.db2.gz MMYSEUMJAKUUQU-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826280655 609617009 /nfs/dbraw/zinc/61/70/09/609617009.db2.gz KSVXTFBBLABORW-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826280655 609617011 /nfs/dbraw/zinc/61/70/11/609617011.db2.gz KSVXTFBBLABORW-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000176496292 837400202 /nfs/dbraw/zinc/40/02/02/837400202.db2.gz HASVAPZVCYJLNW-UHFFFAOYSA-N -1 3 375.490 3.855 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)s1 ZINC000024845401 837502383 /nfs/dbraw/zinc/50/23/83/837502383.db2.gz MDRGKMQRKSVOOL-UHFFFAOYSA-N -1 3 376.873 3.757 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000173251993 837611974 /nfs/dbraw/zinc/61/19/74/837611974.db2.gz YHQIMGZKPAKTCU-NSHDSACASA-N -1 3 383.835 3.981 20 0 GHADHM Cc1nc2c(Cl)cccc2cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323096 837724200 /nfs/dbraw/zinc/72/42/00/837724200.db2.gz JXRNPJOCVBCART-UHFFFAOYSA-N -1 3 382.851 3.890 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(c2cccc(F)c2)CCC1 ZINC000430140193 834401308 /nfs/dbraw/zinc/40/13/08/834401308.db2.gz NNMSMXGOSXWHPB-UHFFFAOYSA-N -1 3 388.240 3.718 20 0 GHADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1cc(-c2c(F)cccc2F)no1 ZINC001125661764 834428021 /nfs/dbraw/zinc/42/80/21/834428021.db2.gz DIMCRXRNVDTZFH-UHFFFAOYSA-N -1 3 375.356 3.848 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1Cn1ccnc1 ZINC000579765251 834590888 /nfs/dbraw/zinc/59/08/88/834590888.db2.gz QBZXNYUENMIIRJ-UHFFFAOYSA-N -1 3 399.447 3.604 20 0 GHADHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)NC1CC1 ZINC000562878880 834616441 /nfs/dbraw/zinc/61/64/41/834616441.db2.gz ISCQSGCZOXDZEQ-UHFFFAOYSA-N -1 3 385.489 3.650 20 0 GHADHM C[C@@H]1CN(CCC2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])CC2)C[C@@H](C)O1 ZINC000156915578 834643458 /nfs/dbraw/zinc/64/34/58/834643458.db2.gz KBSPZUPVZFQISQ-ZIAGYGMSSA-N -1 3 398.906 3.536 20 0 GHADHM COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000108941216 834645327 /nfs/dbraw/zinc/64/53/27/834645327.db2.gz XBAZRTKUZOAPRB-QGZVFWFLSA-N -1 3 379.416 3.818 20 0 GHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1C1CC1 ZINC000583567900 834661800 /nfs/dbraw/zinc/66/18/00/834661800.db2.gz PHHSVYQZRZHICO-AWEZNQCLSA-N -1 3 389.521 3.651 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000654927558 834800498 /nfs/dbraw/zinc/80/04/98/834800498.db2.gz RQEWXTZQLUQQFB-UHFFFAOYSA-N -1 3 386.455 3.926 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc(OC)c1[O-] ZINC000163486215 834883509 /nfs/dbraw/zinc/88/35/09/834883509.db2.gz ILQSDJYVNAJYOD-ZDUSSCGKSA-N -1 3 383.448 3.831 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C(=O)Nc2c(C)noc2CC)s1 ZINC000153967192 834892464 /nfs/dbraw/zinc/89/24/64/834892464.db2.gz DFIPPZNKMKXFHH-UHFFFAOYSA-N -1 3 388.449 3.970 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)s1 ZINC000511263496 834898572 /nfs/dbraw/zinc/89/85/72/834898572.db2.gz ALICHDDIPOBMEB-UHFFFAOYSA-N -1 3 393.532 3.598 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)c(Br)c2)cc1 ZINC000683171847 834907867 /nfs/dbraw/zinc/90/78/67/834907867.db2.gz QVUFHZPSTZGIKS-INIZCTEOSA-N -1 3 382.229 3.902 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000458658886 834958870 /nfs/dbraw/zinc/95/88/70/834958870.db2.gz OHEJCXOPRWKPBC-LBPRGKRZSA-N -1 3 387.793 3.914 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(Cl)c1Cl ZINC000583829970 835113865 /nfs/dbraw/zinc/11/38/65/835113865.db2.gz AOCOKWOYKVUUAO-UHFFFAOYSA-N -1 3 378.199 3.621 20 0 GHADHM CC[C@@](C)(CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1OCCO1 ZINC000748071060 835157599 /nfs/dbraw/zinc/15/75/99/835157599.db2.gz LWIRWZUPNZQZOO-INIZCTEOSA-N -1 3 396.336 3.841 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C(=O)NC(C)C ZINC000433345966 844031532 /nfs/dbraw/zinc/03/15/32/844031532.db2.gz ALCHJKJOZIIVCZ-UHFFFAOYSA-N -1 3 395.434 3.675 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CC=CC2)c(Br)c1 ZINC000132203878 835309922 /nfs/dbraw/zinc/30/99/22/835309922.db2.gz JLIRNZSEJDBIGY-UHFFFAOYSA-N -1 3 395.116 3.517 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c(Cl)c1Cl ZINC000536189790 835404514 /nfs/dbraw/zinc/40/45/14/835404514.db2.gz BKVMYEIKKOTPHU-UHFFFAOYSA-N -1 3 386.260 3.988 20 0 GHADHM CC[C@@H]1c2ccccc2CN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000890609523 835416446 /nfs/dbraw/zinc/41/64/46/835416446.db2.gz DMAUJONWIUZHRO-HXUWFJFHSA-N -1 3 388.471 3.566 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000132817677 835427552 /nfs/dbraw/zinc/42/75/52/835427552.db2.gz WYGZSIPAXOLYOM-UHFFFAOYSA-N -1 3 386.814 3.573 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151575372 835551043 /nfs/dbraw/zinc/55/10/43/835551043.db2.gz GEOSQZQVOFCPQG-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM O=C(CCCOc1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000151607608 835650564 /nfs/dbraw/zinc/65/05/64/835650564.db2.gz MRDXUROMNOEYOJ-UHFFFAOYSA-N -1 3 382.229 3.769 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4oc(=O)ccc4c3)cc(Cl)c2O1 ZINC000134454051 835729758 /nfs/dbraw/zinc/72/97/58/835729758.db2.gz NAMVUWAQZLDOHZ-SNVBAGLBSA-N -1 3 391.832 3.571 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1ccc(F)cc1C(F)(F)F ZINC001211730903 844085966 /nfs/dbraw/zinc/08/59/66/844085966.db2.gz JPSOSGNENWXUPO-UHFFFAOYSA-N -1 3 379.350 3.895 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000092507162 844091025 /nfs/dbraw/zinc/09/10/25/844091025.db2.gz SMHWLQJUYXEGSE-OAHLLOKOSA-N -1 3 384.329 3.913 20 0 GHADHM CCC(=O)c1ccc(OCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cc1 ZINC000512535756 844091135 /nfs/dbraw/zinc/09/11/35/844091135.db2.gz JVDXLGWMAMNHOK-UHFFFAOYSA-N -1 3 377.444 3.726 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1cc(F)ccc1Cl ZINC000169173178 835870879 /nfs/dbraw/zinc/87/08/79/835870879.db2.gz HKDLDAVZDXMBAI-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM O=C([O-])C1(CNc2ccnc3ccc(Oc4ccccc4)cc32)CCOCC1 ZINC000647458087 835965470 /nfs/dbraw/zinc/96/54/70/835965470.db2.gz QXIISHDFAYJBAT-UHFFFAOYSA-N -1 3 378.428 3.742 20 0 GHADHM COc1ccccc1CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509887145 844123093 /nfs/dbraw/zinc/12/30/93/844123093.db2.gz QEBWCYDNVNZNBQ-UHFFFAOYSA-N -1 3 378.432 3.530 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCO[C@@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000548480538 844129890 /nfs/dbraw/zinc/12/98/90/844129890.db2.gz VVGPBXBYSMGELR-PKOBYXMFSA-N -1 3 384.480 3.873 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)s1 ZINC000109469707 836323371 /nfs/dbraw/zinc/32/33/71/836323371.db2.gz WZTXRDQYKVDHAA-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000509898724 844151204 /nfs/dbraw/zinc/15/12/04/844151204.db2.gz MLZKDFSMCCXLTP-HXUWFJFHSA-N -1 3 390.443 3.763 20 0 GHADHM CC(C)n1cc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000066585402 836347447 /nfs/dbraw/zinc/34/74/47/836347447.db2.gz JUOUMLNLCHKNDQ-UHFFFAOYSA-N -1 3 383.420 3.794 20 0 GHADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000174027897 836369797 /nfs/dbraw/zinc/36/97/97/836369797.db2.gz HKHFLGCYXCDJRC-UHFFFAOYSA-N -1 3 387.358 3.673 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000109524847 836369963 /nfs/dbraw/zinc/36/99/63/836369963.db2.gz PAIOJUVOYRFPMU-UHFFFAOYSA-N -1 3 375.425 3.974 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)oc1C ZINC000431826056 836419547 /nfs/dbraw/zinc/41/95/47/836419547.db2.gz YUAJBLXJJIESJW-MRVPVSSYSA-N -1 3 392.260 3.721 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2CC(C)(C)C)cc1OC ZINC000057981663 836437407 /nfs/dbraw/zinc/43/74/07/836437407.db2.gz OYTPNXGBQREOFR-OAHLLOKOSA-N -1 3 397.541 3.889 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000174607834 836490256 /nfs/dbraw/zinc/49/02/56/836490256.db2.gz BKQWTDAHLIDDJX-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413875995 836610102 /nfs/dbraw/zinc/61/01/02/836610102.db2.gz CUKGMCPKOMKBPX-UHFFFAOYSA-N -1 3 396.487 3.911 20 0 GHADHM CSc1cc(F)ccc1[N-]C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000843723840 844185378 /nfs/dbraw/zinc/18/53/78/844185378.db2.gz FOPMADXJPDMOBD-UHFFFAOYSA-N -1 3 378.429 3.937 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](OCc4ccccn4)C3)c2c1 ZINC000582005570 844196838 /nfs/dbraw/zinc/19/68/38/844196838.db2.gz ADKANXBXVNEHLM-KRWDZBQOSA-N -1 3 377.444 3.740 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1n[nH]c(-c2ccccn2)n1 ZINC000175471240 836838052 /nfs/dbraw/zinc/83/80/52/836838052.db2.gz HWHXKEKWOFPESI-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000140915448 836894343 /nfs/dbraw/zinc/89/43/43/836894343.db2.gz ZZGSBJLVCUJREY-UHFFFAOYSA-N -1 3 392.390 3.890 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(I)c3)no2)c1[O-] ZINC000612885750 836913382 /nfs/dbraw/zinc/91/33/82/836913382.db2.gz NTJDKABPQLJSPV-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)oc1C ZINC000175833939 837015296 /nfs/dbraw/zinc/01/52/96/837015296.db2.gz LRSFKPRVVLFDDX-UHFFFAOYSA-N -1 3 397.499 3.566 20 0 GHADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000110097197 844229867 /nfs/dbraw/zinc/22/98/67/844229867.db2.gz OUNLYWSCJMUBOR-IBGZPJMESA-N -1 3 379.453 3.716 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3cccc4ccccc43)nc21 ZINC001266467149 837095212 /nfs/dbraw/zinc/09/52/12/837095212.db2.gz GUSJIVFSMDUAHS-CYBMUJFWSA-N -1 3 389.411 3.909 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3coc4c3ccc(C)c4C)nc21 ZINC001266467096 837095627 /nfs/dbraw/zinc/09/56/27/837095627.db2.gz DXGQJQKALWYFRP-UHFFFAOYSA-N -1 3 377.400 3.894 20 0 GHADHM Cc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])sc2c1 ZINC000048029697 844246167 /nfs/dbraw/zinc/24/61/67/844246167.db2.gz LETFPAOEWXWJMN-HNNXBMFYSA-N -1 3 381.457 3.554 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCc4cc(O)ccc4C3)cc2)cc(=O)[n-]1 ZINC000683448919 837352924 /nfs/dbraw/zinc/35/29/24/837352924.db2.gz VCJCSXFLOLLTJC-GOSISDBHSA-N -1 3 390.443 3.542 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H](C2CC2)C1 ZINC000685858289 837378968 /nfs/dbraw/zinc/37/89/68/837378968.db2.gz UVOVPRVYVYSMOU-GFCCVEGCSA-N -1 3 375.266 3.553 20 0 GHADHM O=c1[n-]c(CN2CCSC[C@H]2c2ccccc2)nc2c3ccccc3oc21 ZINC000115560562 838021713 /nfs/dbraw/zinc/02/17/13/838021713.db2.gz NYJZZWACHLXJFJ-INIZCTEOSA-N -1 3 377.469 3.959 20 0 GHADHM Cc1cc(F)c(C[N-]S(=O)(=O)c2cc(F)ccc2Br)c(F)c1 ZINC001213834562 838092627 /nfs/dbraw/zinc/09/26/27/838092627.db2.gz NFUOZTMHXBZPAI-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000460823969 838266484 /nfs/dbraw/zinc/26/64/84/838266484.db2.gz MKRVHQPCTJLAPC-OAHLLOKOSA-N -1 3 379.478 3.693 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1Cc3ccccc3C[C@H]1c1ccccc1)c2[O-] ZINC000182082551 838322040 /nfs/dbraw/zinc/32/20/40/838322040.db2.gz AWHOYSOHGQBWNQ-FQEVSTJZSA-N -1 3 384.439 3.614 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000589166040 838333671 /nfs/dbraw/zinc/33/36/71/838333671.db2.gz PGUFGPGICQDVHJ-JTQLQIEISA-N -1 3 377.231 3.606 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cnn(-c2ccncc2)c1 ZINC000683708097 838371702 /nfs/dbraw/zinc/37/17/02/838371702.db2.gz PHEXSUIITYHOHY-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000188023779 838396314 /nfs/dbraw/zinc/39/63/14/838396314.db2.gz LDXXCRIGNMNXDE-MHZLTWQESA-N -1 3 376.441 3.518 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)ccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000064876463 838440798 /nfs/dbraw/zinc/44/07/98/838440798.db2.gz URFIDJVTHTWBTE-MRVPVSSYSA-N -1 3 391.380 3.567 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)sc1Cl ZINC000188086924 838527540 /nfs/dbraw/zinc/52/75/40/838527540.db2.gz ZZAWKWCPBMSDKW-NSHDSACASA-N -1 3 397.909 3.723 20 0 GHADHM CCN(Cc1cccs1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179413730 838542654 /nfs/dbraw/zinc/54/26/54/838542654.db2.gz WYXUUPCNJHIPNU-UHFFFAOYSA-N -1 3 385.445 3.665 20 0 GHADHM COCCn1nc(C)c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC000179760204 838551819 /nfs/dbraw/zinc/55/18/19/838551819.db2.gz SNKZIRBDBGWRNM-UHFFFAOYSA-N -1 3 381.432 3.897 20 0 GHADHM CCc1onc(C)c1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180064493 838554985 /nfs/dbraw/zinc/55/49/85/838554985.db2.gz WJLBWWJGPVRSMW-SFHVURJKSA-N -1 3 393.443 3.751 20 0 GHADHM CC1(C)CN(CC[C@H](C(=O)[O-])c2ccccc2)C[C@H](COc2ccccc2)O1 ZINC000659796019 838682298 /nfs/dbraw/zinc/68/22/98/838682298.db2.gz YOOLJGSEOBXXJN-RTWAWAEBSA-N -1 3 383.488 3.803 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccc(COc3cccc(F)c3)c2)[n-]1 ZINC000617873892 838701515 /nfs/dbraw/zinc/70/15/15/838701515.db2.gz QSEFIGCTBGNNRA-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccc(COc3cccc(F)c3)c2)c[n-]1 ZINC000617873892 838701522 /nfs/dbraw/zinc/70/15/22/838701522.db2.gz QSEFIGCTBGNNRA-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549815511 844358610 /nfs/dbraw/zinc/35/86/10/844358610.db2.gz YUNSNEALIYLPRE-SNVBAGLBSA-N -1 3 387.383 3.533 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182542942 838752808 /nfs/dbraw/zinc/75/28/08/838752808.db2.gz QBXFGENAOHOMMK-INIZCTEOSA-N -1 3 392.377 3.963 20 0 GHADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1CC ZINC000182709788 838790241 /nfs/dbraw/zinc/79/02/41/838790241.db2.gz LTVNEZSBNLQPSE-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2cc(C)cc(C)c2)c1 ZINC000182826626 838826455 /nfs/dbraw/zinc/82/64/55/838826455.db2.gz HLFTYLIFDKLGKZ-UHFFFAOYSA-N -1 3 393.443 3.530 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)c2cccc(C)c2)c1 ZINC000182836388 838839081 /nfs/dbraw/zinc/83/90/81/838839081.db2.gz YOJHRHFHDVYLMA-AWEZNQCLSA-N -1 3 393.443 3.783 20 0 GHADHM Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000182843304 838840479 /nfs/dbraw/zinc/84/04/79/838840479.db2.gz VVUHNHLMJUBHPJ-HXUWFJFHSA-N -1 3 375.428 3.596 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](CC(=O)OC(C)C)c3ccccc3)cc(=O)oc12 ZINC000181828964 838903452 /nfs/dbraw/zinc/90/34/52/838903452.db2.gz IKSIMYDDWXCNEA-LJQANCHMSA-N -1 3 395.455 3.980 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000472968105 838908186 /nfs/dbraw/zinc/90/81/86/838908186.db2.gz YGCAEOQNUQHLQV-KRWDZBQOSA-N -1 3 384.480 3.507 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)N3CCCc4c(=O)[n-]cnc43)cs2)cc1 ZINC000893213479 838923453 /nfs/dbraw/zinc/92/34/53/838923453.db2.gz VHWTULOMNPYOAG-UHFFFAOYSA-N -1 3 396.472 3.686 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H](C)[C@H]1C ZINC000416325731 838964337 /nfs/dbraw/zinc/96/43/37/838964337.db2.gz YVMTYVYUMIABRV-ILXRZTDVSA-N -1 3 390.480 3.743 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128096796 839221218 /nfs/dbraw/zinc/22/12/18/839221218.db2.gz BAVYPMFERQUPEW-UHFFFAOYSA-N -1 3 381.255 3.850 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 ZINC000125659595 839599264 /nfs/dbraw/zinc/59/92/64/839599264.db2.gz WRBYTBQOGIDQQI-OAHLLOKOSA-N -1 3 382.460 3.976 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C[C@H]3Sc4ccccc4NC3=O)[nH][n-]2)c1 ZINC000512551285 844502689 /nfs/dbraw/zinc/50/26/89/844502689.db2.gz SKCDTVNMPVHFMR-GOSISDBHSA-N -1 3 392.484 3.557 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000510344484 840127970 /nfs/dbraw/zinc/12/79/70/840127970.db2.gz WOTTYUGXAZYYKT-UHFFFAOYSA-N -1 3 398.750 3.570 20 0 GHADHM CCn1c(CN2CCC[C@H]2Cc2cccc(OC)c2)nc2cc(C(=O)[O-])ccc21 ZINC000580778891 840167626 /nfs/dbraw/zinc/16/76/26/840167626.db2.gz SBWPAQSAOIWTHB-SFHVURJKSA-N -1 3 393.487 3.970 20 0 GHADHM COc1ccc(CCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cc1OC ZINC000512555263 844515335 /nfs/dbraw/zinc/51/53/35/844515335.db2.gz NPATYUCENODBCN-UHFFFAOYSA-N -1 3 379.460 3.704 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1NC(C)=O ZINC000055652252 840287103 /nfs/dbraw/zinc/28/71/03/840287103.db2.gz GWAPVJDFOVSVTN-UHFFFAOYSA-N -1 3 392.477 3.550 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000194670173 840332459 /nfs/dbraw/zinc/33/24/59/840332459.db2.gz DJOYESISJKIKAR-CYBMUJFWSA-N -1 3 375.202 3.638 20 0 GHADHM O=c1cc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)nc(C2CC2)[n-]1 ZINC000417027574 840386229 /nfs/dbraw/zinc/38/62/29/840386229.db2.gz UBGOUQQOOPYSGS-UHFFFAOYSA-N -1 3 388.899 3.534 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000580904328 840401256 /nfs/dbraw/zinc/40/12/56/840401256.db2.gz NBYJRKKAUSLPIR-OAHLLOKOSA-N -1 3 375.362 3.705 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052509655 844536741 /nfs/dbraw/zinc/53/67/41/844536741.db2.gz PUTSDRHXDZEAKF-UZLBHIALSA-N -1 3 396.487 3.661 20 0 GHADHM O[C@@H](COc1ccccc1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000015232651 840469057 /nfs/dbraw/zinc/46/90/57/840469057.db2.gz VTNLAPQHVXRVOI-LBPRGKRZSA-N -1 3 377.466 3.953 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000511702946 840533437 /nfs/dbraw/zinc/53/34/37/840533437.db2.gz ZWNZXQPFGAGRGH-AWEZNQCLSA-N -1 3 377.462 3.826 20 0 GHADHM C[C@@H](COCC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000651539862 840648804 /nfs/dbraw/zinc/64/88/04/840648804.db2.gz QULDEIGOOCUTPL-ZDUSSCGKSA-N -1 3 378.266 3.591 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)cc1Cl ZINC000549513337 840667545 /nfs/dbraw/zinc/66/75/45/840667545.db2.gz XKWAQOKUZHTXNL-UHFFFAOYSA-N -1 3 376.881 3.541 20 0 GHADHM COc1cc(C[NH2+]CC2(CC(=O)[O-])CCCCC2)cc(Br)c1[O-] ZINC000277009666 844565987 /nfs/dbraw/zinc/56/59/87/844565987.db2.gz MRFAVVYOCOGDNA-UHFFFAOYSA-N -1 3 386.286 3.678 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc(F)cc(F)c1 ZINC000610485784 840856759 /nfs/dbraw/zinc/85/67/59/840856759.db2.gz FXHPUSBSQMQAEN-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1OCC(F)F ZINC000417535294 840963117 /nfs/dbraw/zinc/96/31/17/840963117.db2.gz PBMCCXOCAUMTCM-GOSISDBHSA-N -1 3 395.402 3.572 20 0 GHADHM C[S@](=O)c1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000417587634 841035280 /nfs/dbraw/zinc/03/52/80/841035280.db2.gz ODLRANWCNAVEHH-DXPJPUQTSA-N -1 3 385.407 3.748 20 0 GHADHM CC[C@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430553867 841044524 /nfs/dbraw/zinc/04/45/24/841044524.db2.gz PRRCWUFEQZTPKU-JTQLQIEISA-N -1 3 383.673 3.959 20 0 GHADHM O=C(NN=c1cccn[n-]1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188367102 841066651 /nfs/dbraw/zinc/06/66/51/841066651.db2.gz UFKORUVEKJEWLQ-CQSZACIVSA-N -1 3 394.248 3.546 20 0 GHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1csc(N2CCCCC2)n1 ZINC001126028577 841385043 /nfs/dbraw/zinc/38/50/43/841385043.db2.gz OOHDTLMDGBSDGZ-UHFFFAOYSA-N -1 3 385.518 3.828 20 0 GHADHM COc1cc(C[NH2+][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cc(Br)c1[O-] ZINC000656569112 841436593 /nfs/dbraw/zinc/43/65/93/841436593.db2.gz ZUUVIEJKKQMBQL-RISCZKNCSA-N -1 3 386.286 3.532 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1)C1CCCCC1 ZINC000656616372 841564555 /nfs/dbraw/zinc/56/45/55/841564555.db2.gz MZKRGYUYQOGOGR-IBGZPJMESA-N -1 3 378.494 3.987 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1)C1CCCCC1 ZINC000656625454 841602102 /nfs/dbraw/zinc/60/21/02/841602102.db2.gz DAJMRWDLNWWCPN-MRXNPFEDSA-N -1 3 387.452 3.768 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1Br)C1CCCC1 ZINC000656626464 841606201 /nfs/dbraw/zinc/60/62/01/841606201.db2.gz QKTTUCLPCVRHNJ-AWEZNQCLSA-N -1 3 398.269 3.674 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC001126071436 841657914 /nfs/dbraw/zinc/65/79/14/841657914.db2.gz WWAYDUBIPUCMSA-NSHDSACASA-N -1 3 397.219 3.684 20 0 GHADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCCc2ccccc2Br)C1 ZINC000581553821 841657975 /nfs/dbraw/zinc/65/79/75/841657975.db2.gz HNINNXMZWIEXKL-CQSZACIVSA-N -1 3 380.204 3.721 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000042950305 841680485 /nfs/dbraw/zinc/68/04/85/841680485.db2.gz INUXOBLHXKEKHH-UHFFFAOYSA-N -1 3 399.454 3.789 20 0 GHADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000162645684 841824795 /nfs/dbraw/zinc/82/47/95/841824795.db2.gz LGHBZYHCKCUASB-LBPRGKRZSA-N -1 3 382.423 3.660 20 0 GHADHM CO[C@H](CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000656757984 841892058 /nfs/dbraw/zinc/89/20/58/841892058.db2.gz XPFQQKQJWQOBND-QZTJIDSGSA-N -1 3 396.325 3.856 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCCC[C@@H]12 ZINC000656769143 841906875 /nfs/dbraw/zinc/90/68/75/841906875.db2.gz YRABIONCGYDDIP-XHSDSOJGSA-N -1 3 375.856 3.855 20 0 GHADHM CC(C)Cn1ncc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1-c1ccccc1 ZINC000430635262 841973219 /nfs/dbraw/zinc/97/32/19/841973219.db2.gz GJHVMBWRXZLZDH-UHFFFAOYSA-N -1 3 386.459 3.665 20 0 GHADHM CC(C)[C@H](C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430647266 842091088 /nfs/dbraw/zinc/09/10/88/842091088.db2.gz FGLAFAJUNIZEEG-SECBINFHSA-N -1 3 385.689 3.966 20 0 GHADHM COC(=O)c1ccc2c(c1)nc(-c1cc(Br)c([O-])c(OC)c1)n2C ZINC000154968882 842093449 /nfs/dbraw/zinc/09/34/49/842093449.db2.gz RGQBTAOOVIRLJY-UHFFFAOYSA-N -1 3 391.221 3.504 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000557211660 842164687 /nfs/dbraw/zinc/16/46/87/842164687.db2.gz SYNZSHCSRWAFMC-PIGZYNQJSA-N -1 3 387.860 3.542 20 0 GHADHM CSC[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184226317 842168584 /nfs/dbraw/zinc/16/85/84/842168584.db2.gz VHJACOFIENIIOC-AZUAARDMSA-N -1 3 398.528 3.607 20 0 GHADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730809621 861297733 /nfs/dbraw/zinc/29/77/33/861297733.db2.gz IXEJEYDLGRGPAJ-GXFFZTMASA-N -1 3 394.306 3.844 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000028021423 842368326 /nfs/dbraw/zinc/36/83/26/842368326.db2.gz TVOSYLYLHOHPFT-UHFFFAOYSA-N -1 3 391.449 3.573 20 0 GHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511914667 842390670 /nfs/dbraw/zinc/39/06/70/842390670.db2.gz BCDZNOXNPMUWJW-UHFFFAOYSA-N -1 3 392.381 3.744 20 0 GHADHM O=C([O-])[C@@H](C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1CCCC1 ZINC000663108439 842487414 /nfs/dbraw/zinc/48/74/14/842487414.db2.gz SWKYXKIREZNQBB-OAQYLSRUSA-N -1 3 398.547 3.925 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000024234056 842586083 /nfs/dbraw/zinc/58/60/83/842586083.db2.gz RSGPKQZDCAUWHY-UHFFFAOYSA-N -1 3 396.734 3.970 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000432464822 842586591 /nfs/dbraw/zinc/58/65/91/842586591.db2.gz ZYQMODLEBLTVTN-INIZCTEOSA-N -1 3 380.897 3.834 20 0 GHADHM CCC(C)(C)OCc1cccc(NC(=O)c2cnc3c(cnn3C)c2[O-])c1C ZINC000512146833 842646542 /nfs/dbraw/zinc/64/65/42/842646542.db2.gz LKDHFOOSPJGVCU-UHFFFAOYSA-N -1 3 382.464 3.940 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000663260657 842944308 /nfs/dbraw/zinc/94/43/08/842944308.db2.gz DKEALUULAXAZBO-MSOLQXFVSA-N -1 3 395.377 3.789 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H](CC(F)(F)F)O1 ZINC000662233646 842987096 /nfs/dbraw/zinc/98/70/96/842987096.db2.gz FKYAGANKOXGTPW-WDEREUQCSA-N -1 3 381.354 3.623 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)(C)C ZINC000510590369 843010858 /nfs/dbraw/zinc/01/08/58/843010858.db2.gz WZBLOKPZAXMEDN-LBPRGKRZSA-N -1 3 398.750 3.832 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H]1CCCC[C@H]1C ZINC000185779075 843029317 /nfs/dbraw/zinc/02/93/17/843029317.db2.gz YATUJAJAMSDINO-ACJLOTCBSA-N -1 3 385.464 3.982 20 0 GHADHM Cc1oc2ccc(NC(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1C ZINC000186459571 843086886 /nfs/dbraw/zinc/08/68/86/843086886.db2.gz BNSOUNZFHBSVQT-UHFFFAOYSA-N -1 3 393.443 3.745 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2csc(-c3ccccn3)n2)[nH][n-]1 ZINC000512317819 843358977 /nfs/dbraw/zinc/35/89/77/843358977.db2.gz ZJTMETYNRTXBTO-UHFFFAOYSA-N -1 3 375.457 3.507 20 0 GHADHM COc1cc(C(=O)[N-]c2ccnc3c(Cl)cc(Br)cc23)on1 ZINC000431012319 843407827 /nfs/dbraw/zinc/40/78/27/843407827.db2.gz AOQXMIDZTJCHET-UHFFFAOYSA-N -1 3 382.601 3.900 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000091810877 843419851 /nfs/dbraw/zinc/41/98/51/843419851.db2.gz JAUFORIDVXEISP-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM CCCc1c(C(=O)[N-]c2nnc(C3CC3)s2)nnn1-c1cccc(Cl)c1 ZINC000068072611 843428037 /nfs/dbraw/zinc/42/80/37/843428037.db2.gz VXJSSBGAGGPDFY-UHFFFAOYSA-N -1 3 388.884 3.854 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](c4ccc(C)c(C)c4)C3=O)cc2)cc(=O)[n-]1 ZINC000349281497 861424987 /nfs/dbraw/zinc/42/49/87/861424987.db2.gz SUZDNOMJSCHUKR-FQEVSTJZSA-N -1 3 388.427 3.572 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2cccc(COCc3ccccc3)c2)s1 ZINC000431066601 843528799 /nfs/dbraw/zinc/52/87/99/843528799.db2.gz AJIMWDOZYASWEL-UHFFFAOYSA-N -1 3 388.514 3.647 20 0 GHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429814580 843642080 /nfs/dbraw/zinc/64/20/80/843642080.db2.gz MPJSXSHOGSINFF-SECBINFHSA-N -1 3 384.723 3.584 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)c3cccc1c23 ZINC000431153331 843711794 /nfs/dbraw/zinc/71/17/94/843711794.db2.gz YOQINLYMMJYPNJ-UHFFFAOYSA-N -1 3 378.331 3.624 20 0 GHADHM FC(F)(F)c1[n-]c(=NCCCO[C@@H]2CCCCO2)sc1Br ZINC000418930151 843789961 /nfs/dbraw/zinc/78/99/61/843789961.db2.gz BGYXWPFCQIZWKE-MRVPVSSYSA-N -1 3 389.237 3.692 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)Oc2cccc(C)c2)[nH][n-]1 ZINC000512832392 843828938 /nfs/dbraw/zinc/82/89/38/843828938.db2.gz HLPALJUMNISSDN-CYBMUJFWSA-N -1 3 385.851 3.875 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(F)(F)F)cc1F ZINC000512459804 843865536 /nfs/dbraw/zinc/86/55/36/843865536.db2.gz KYANZVQGHFHRHF-OAHLLOKOSA-N -1 3 377.359 3.725 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccc(C)c(OC)c2)[nH][n-]1 ZINC000512849594 843883027 /nfs/dbraw/zinc/88/30/27/843883027.db2.gz OQSBOUSENGAHNX-UHFFFAOYSA-N -1 3 385.851 3.659 20 0 GHADHM CCOCCC1(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCC1 ZINC000433238842 843889317 /nfs/dbraw/zinc/88/93/17/843889317.db2.gz CQYTUFGIRQVZPM-UHFFFAOYSA-N -1 3 377.872 3.696 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccco2)cc1F)c1cnc(Cl)c(F)c1 ZINC001211742060 844664126 /nfs/dbraw/zinc/66/41/26/844664126.db2.gz RGLDJJPADWQDBT-UHFFFAOYSA-N -1 3 384.791 3.752 20 0 GHADHM O=c1[n-]cnc2c1CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC000575788626 844832322 /nfs/dbraw/zinc/83/23/22/844832322.db2.gz RFWSCIDIDXDCEG-UHFFFAOYSA-N -1 3 379.420 3.556 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C)c3NC(C)=O)c2)n1 ZINC000729320779 844848241 /nfs/dbraw/zinc/84/82/41/844848241.db2.gz JGXJJAGLUHNARF-UHFFFAOYSA-N -1 3 390.443 3.931 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000729357107 844872736 /nfs/dbraw/zinc/87/27/36/844872736.db2.gz NZVBGPWMDFGYIB-JYRVWZFOSA-N -1 3 375.432 3.840 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000729357107 844872744 /nfs/dbraw/zinc/87/27/44/844872744.db2.gz NZVBGPWMDFGYIB-JYRVWZFOSA-N -1 3 375.432 3.840 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c(C)c1 ZINC000603987444 861511426 /nfs/dbraw/zinc/51/14/26/861511426.db2.gz QAEAJJKAPGVKOD-UHFFFAOYSA-N -1 3 377.462 3.680 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509913700 845101944 /nfs/dbraw/zinc/10/19/44/845101944.db2.gz VKAQEGKLMHCDEQ-FZMZJTMJSA-N -1 3 399.862 3.968 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000430009675 845113958 /nfs/dbraw/zinc/11/39/58/845113958.db2.gz SVZLEDUOGNABEA-GXSJLCMTSA-N -1 3 384.217 3.545 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000481504296 861535982 /nfs/dbraw/zinc/53/59/82/861535982.db2.gz BHLSUHCKIVNODH-GFCCVEGCSA-N -1 3 399.843 3.741 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)c1 ZINC000614488351 845420060 /nfs/dbraw/zinc/42/00/60/845420060.db2.gz OIEDVTAPAGZMRC-OAHLLOKOSA-N -1 3 386.498 3.938 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000512782124 845502339 /nfs/dbraw/zinc/50/23/39/845502339.db2.gz DCUJGXTYHRQWDO-SECBINFHSA-N -1 3 378.288 3.732 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)F)cc2)cc1OC ZINC000277284530 845537022 /nfs/dbraw/zinc/53/70/22/845537022.db2.gz MCDLGSITXJURDG-HNNXBMFYSA-N -1 3 381.375 3.611 20 0 GHADHM CCCc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C(C)C)cc1 ZINC000433951229 845651172 /nfs/dbraw/zinc/65/11/72/845651172.db2.gz RUFHXTWPFACFRM-LJQANCHMSA-N -1 3 392.521 3.576 20 0 GHADHM O=c1[n-]c(SCc2noc3c2CCCC3)nc2c1cnn2Cc1ccccc1 ZINC000657283710 845669038 /nfs/dbraw/zinc/66/90/38/845669038.db2.gz HHFPXMXFALEUIP-UHFFFAOYSA-N -1 3 393.472 3.739 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC1(C)C ZINC000531085952 846025132 /nfs/dbraw/zinc/02/51/32/846025132.db2.gz DWOSQYUSMMBPOJ-UHFFFAOYSA-N -1 3 376.453 3.559 20 0 GHADHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cc(COc2ccccc2F)on1 ZINC000582029292 846097564 /nfs/dbraw/zinc/09/75/64/846097564.db2.gz LKBYIZQHEOJTCS-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1OCC ZINC000026540892 846242082 /nfs/dbraw/zinc/24/20/82/846242082.db2.gz HHUCNGSPMNWDDM-UHFFFAOYSA-N -1 3 395.477 3.610 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(=O)[n-]1 ZINC000157945187 846282377 /nfs/dbraw/zinc/28/23/77/846282377.db2.gz WPTNIMNMBIVUKE-UHFFFAOYSA-N -1 3 380.275 3.606 20 0 GHADHM COC(=O)c1[n-]c(=NCc2ccc(OCCC(C)C)c(OC)c2)sc1C ZINC000434091151 846295754 /nfs/dbraw/zinc/29/57/54/846295754.db2.gz CKCSOUFBDZWWQM-UHFFFAOYSA-N -1 3 378.494 3.706 20 0 GHADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000710192520 846502094 /nfs/dbraw/zinc/50/20/94/846502094.db2.gz HSYJSECPAPFYOM-SECBINFHSA-N -1 3 399.148 3.926 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(OCc3ccccn3)c(F)c2)c2ccccc21 ZINC000255497295 846632949 /nfs/dbraw/zinc/63/29/49/846632949.db2.gz HAFQYJRNRZIMIT-PDGQHHTCSA-N -1 3 389.386 3.523 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)cc1OC ZINC000414419574 846690150 /nfs/dbraw/zinc/69/01/50/846690150.db2.gz UHGRGGUFURAYMI-GJZGRUSLSA-N -1 3 397.541 3.793 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000501159741 846691113 /nfs/dbraw/zinc/69/11/13/846691113.db2.gz ZAMZMDWWRRDWDT-AWEZNQCLSA-N -1 3 393.480 3.645 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)n[n-]2)o1 ZINC000501245010 846754392 /nfs/dbraw/zinc/75/43/92/846754392.db2.gz MFMHUWADEPJMDF-UHFFFAOYSA-N -1 3 387.399 3.878 20 0 GHADHM Cc1ccc(Cc2cnc(NC(=O)c3cc(F)cc4n[n-]nc43)s2)cc1F ZINC000503170251 846867411 /nfs/dbraw/zinc/86/74/11/846867411.db2.gz WARRBYMTOBOPLK-UHFFFAOYSA-N -1 3 385.399 3.844 20 0 GHADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000277547155 846872014 /nfs/dbraw/zinc/87/20/14/846872014.db2.gz ZYJXUOODJOPWCM-YOEHRIQHSA-N -1 3 380.851 3.573 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3CCC4(CC4)CC3)cs2)c1 ZINC000582338433 846897451 /nfs/dbraw/zinc/89/74/51/846897451.db2.gz KMHOYEJCNCRSRO-UHFFFAOYSA-N -1 3 399.516 3.791 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2ccc(-c3cccc(C(F)(F)F)c3)cn2)on1 ZINC000611589727 846952992 /nfs/dbraw/zinc/95/29/92/846952992.db2.gz LHUFPMNYOHKRRF-UHFFFAOYSA-N -1 3 391.305 3.794 20 0 GHADHM COc1ccc(N[C@H](C)c2cc(OC)c(OC)cc2C)cc1[N-]S(C)(=O)=O ZINC000272030285 846974454 /nfs/dbraw/zinc/97/44/54/846974454.db2.gz DIRNWQKLFWLQGT-CYBMUJFWSA-N -1 3 394.493 3.565 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)c2nccn2C)cc1 ZINC000375692919 847010825 /nfs/dbraw/zinc/01/08/25/847010825.db2.gz QBRPRQWFWAOBDT-OAQYLSRUSA-N -1 3 387.439 3.807 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc21)c1csnc1-c1ccccc1 ZINC000647898035 847059101 /nfs/dbraw/zinc/05/91/01/847059101.db2.gz RHOFBEQHJOFWNX-HNNXBMFYSA-N -1 3 386.498 3.655 20 0 GHADHM COc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000096999272 847222899 /nfs/dbraw/zinc/22/28/99/847222899.db2.gz ACFNYHJWINHZOU-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000420635219 847342964 /nfs/dbraw/zinc/34/29/64/847342964.db2.gz LYKFTVTWERDUQE-HOCLYGCPSA-N -1 3 398.507 3.611 20 0 GHADHM Cc1cccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1Br ZINC001211546599 847346679 /nfs/dbraw/zinc/34/66/79/847346679.db2.gz OISLGTPTXDEBIL-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000273523761 847363670 /nfs/dbraw/zinc/36/36/70/847363670.db2.gz XKUIJQUTVFRXHF-UHFFFAOYSA-N -1 3 398.535 3.560 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000273626985 847389138 /nfs/dbraw/zinc/38/91/38/847389138.db2.gz RVDHKFNGDSGKIA-ZCFIWIBFSA-N -1 3 385.820 3.558 20 0 GHADHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nn1 ZINC000420762858 847432166 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O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000732271706 862180834 /nfs/dbraw/zinc/18/08/34/862180834.db2.gz PHFHCTUYJPLFTK-CQSZACIVSA-N -1 3 383.835 3.672 20 0 GHADHM CC[C@@H](NCc1ncc(Br)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000894397950 850908435 /nfs/dbraw/zinc/90/84/35/850908435.db2.gz IRQVGTXRNKAXNC-CYBMUJFWSA-N -1 3 381.270 3.808 20 0 GHADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)ccc1F ZINC000487869687 850957266 /nfs/dbraw/zinc/95/72/66/850957266.db2.gz GCNFPMVREKZFSO-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000910098924 850998261 /nfs/dbraw/zinc/99/82/61/850998261.db2.gz CFVLZXYZLGNRNM-XMMPIXPASA-N -1 3 392.499 3.585 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1 ZINC000434347764 851001478 /nfs/dbraw/zinc/00/14/78/851001478.db2.gz BHQFXLNYIROJQZ-DIFFPNOSSA-N -1 3 398.912 3.667 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000440283939 851004163 /nfs/dbraw/zinc/00/41/63/851004163.db2.gz PUFLNFYCCSQCLH-UHFFFAOYSA-N -1 3 388.489 3.858 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519430566 851058910 /nfs/dbraw/zinc/05/89/10/851058910.db2.gz VAMOFZKBAZFXFW-HXUWFJFHSA-N -1 3 398.440 3.671 20 0 GHADHM CCOC(=O)c1sc2[n-]c(Cc3nc(C(C)C)cs3)nc(=O)c2c1C ZINC000473622477 851299279 /nfs/dbraw/zinc/29/92/79/851299279.db2.gz GMMIATUDGILEFG-UHFFFAOYSA-N -1 3 377.491 3.640 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(=O)[n-]1 ZINC000434575474 851300534 /nfs/dbraw/zinc/30/05/34/851300534.db2.gz ODHHMDCIEHMCPT-UHFFFAOYSA-N -1 3 375.419 3.591 20 0 GHADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)NCc1ncccc1[O-] ZINC000473637783 851328318 /nfs/dbraw/zinc/32/83/18/851328318.db2.gz KZXJGVZKCVMZKV-UHFFFAOYSA-N -1 3 375.222 3.843 20 0 GHADHM CC(C)c1sc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)nc1C(=O)[O-] ZINC000910701667 851334628 /nfs/dbraw/zinc/33/46/28/851334628.db2.gz VPWBFZSHWANSMK-OAHLLOKOSA-N -1 3 387.505 3.815 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000515707729 851364523 /nfs/dbraw/zinc/36/45/23/851364523.db2.gz KGKLGZRCDHQAQU-VQTJNVASSA-N -1 3 375.490 3.732 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)coc21 ZINC000473645766 851377509 /nfs/dbraw/zinc/37/75/09/851377509.db2.gz BYYNYKZYPRGRQS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)coc21 ZINC000473645766 851377517 /nfs/dbraw/zinc/37/75/17/851377517.db2.gz BYYNYKZYPRGRQS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000466560140 862238065 /nfs/dbraw/zinc/23/80/65/862238065.db2.gz WPCFDGCZVUKUAW-LSDHHAIUSA-N -1 3 397.846 3.842 20 0 GHADHM COCC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(C)o1 ZINC000488348938 851417715 /nfs/dbraw/zinc/41/77/15/851417715.db2.gz QEBSAJRPLCSRLE-CQSZACIVSA-N -1 3 397.269 3.633 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000515737129 851421307 /nfs/dbraw/zinc/42/13/07/851421307.db2.gz KDSOEYIKUMNCPR-LBPRGKRZSA-N -1 3 391.798 3.641 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000732394493 862258701 /nfs/dbraw/zinc/25/87/01/862258701.db2.gz NYXCDZZQKXPZJQ-SSDOTTSWSA-N -1 3 389.622 3.931 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000522657716 862264627 /nfs/dbraw/zinc/26/46/27/862264627.db2.gz FSEAOVKJPINRJS-UHFFFAOYSA-N -1 3 375.763 3.658 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000522657716 862264646 /nfs/dbraw/zinc/26/46/46/862264646.db2.gz FSEAOVKJPINRJS-UHFFFAOYSA-N -1 3 375.763 3.658 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000911279639 851661069 /nfs/dbraw/zinc/66/10/69/851661069.db2.gz KUBZFXIJGCSVHY-HOCLYGCPSA-N -1 3 398.956 3.608 20 0 GHADHM COc1cc(OC)c(C2CCN(C(=O)c3c(C)cccc3[O-])CC2)c(OC)c1 ZINC000623805566 862270022 /nfs/dbraw/zinc/27/00/22/862270022.db2.gz KPTYYXPUNWLKOT-UHFFFAOYSA-N -1 3 385.460 3.746 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ccccc4F)C3)nc2)n1 ZINC000488781912 851771134 /nfs/dbraw/zinc/77/11/34/851771134.db2.gz JBGMBFXQOZXCOS-MRXNPFEDSA-N -1 3 379.439 3.637 20 0 GHADHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488972974 851903926 /nfs/dbraw/zinc/90/39/26/851903926.db2.gz PIPZEXMBOKZODD-VIFPVBQESA-N -1 3 379.787 3.503 20 0 GHADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000436523306 852014547 /nfs/dbraw/zinc/01/45/47/852014547.db2.gz RZSQVHKJZBIDJJ-RBUKOAKNSA-N -1 3 391.508 3.999 20 0 GHADHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436534767 852025744 /nfs/dbraw/zinc/02/57/44/852025744.db2.gz QCLZLIWTKGJOQZ-SFHVURJKSA-N -1 3 384.501 3.978 20 0 GHADHM COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[O-] ZINC000436537944 852046107 /nfs/dbraw/zinc/04/61/07/852046107.db2.gz PWEUSCLQHNANQB-UHFFFAOYSA-N -1 3 382.243 3.557 20 0 GHADHM CC(C)CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000436559391 852063281 /nfs/dbraw/zinc/06/32/81/852063281.db2.gz VLOGIPMTXPIIOJ-NRFANRHFSA-N -1 3 380.488 3.900 20 0 GHADHM CCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1CC ZINC000436561025 852064282 /nfs/dbraw/zinc/06/42/82/852064282.db2.gz ATYODUDPFLNYMR-UHFFFAOYSA-N -1 3 395.503 3.943 20 0 GHADHM NC(=O)c1ccc(F)c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436567235 852070928 /nfs/dbraw/zinc/07/09/28/852070928.db2.gz ZMPGKCWKBPEGQY-UHFFFAOYSA-N -1 3 378.403 3.668 20 0 GHADHM CC1(C)CCCc2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc21 ZINC000436603029 852102123 /nfs/dbraw/zinc/10/21/23/852102123.db2.gz LEDUWJLEZAZDNL-CQSZACIVSA-N -1 3 399.516 3.706 20 0 GHADHM CCOCc1nc([C@@H](C)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])no1 ZINC000436606292 852106302 /nfs/dbraw/zinc/10/63/02/852106302.db2.gz QJTYILNPIFSNQZ-OAHLLOKOSA-N -1 3 395.459 3.588 20 0 GHADHM C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436616501 852116764 /nfs/dbraw/zinc/11/67/64/852116764.db2.gz FABCLDHVDUCNLT-CQSZACIVSA-N -1 3 389.293 3.674 20 0 GHADHM Cc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436628913 852122786 /nfs/dbraw/zinc/12/27/86/852122786.db2.gz SLQVIQNUTGWUIZ-UHFFFAOYSA-N -1 3 381.457 3.899 20 0 GHADHM COc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436628819 852122850 /nfs/dbraw/zinc/12/28/50/852122850.db2.gz RHFPZYUOGJCBMG-UHFFFAOYSA-N -1 3 397.456 3.599 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436623289 852137896 /nfs/dbraw/zinc/13/78/96/852137896.db2.gz GEHIZGJGTNBWHS-QFBILLFUSA-N -1 3 398.528 3.684 20 0 GHADHM O=C(Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1)Nc1ccccc1F ZINC000436645879 852155463 /nfs/dbraw/zinc/15/54/63/852155463.db2.gz DFBLWNOVRBAMTE-UHFFFAOYSA-N -1 3 380.375 3.670 20 0 GHADHM O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1c([O-])cccc1O ZINC000436658699 852176274 /nfs/dbraw/zinc/17/62/74/852176274.db2.gz MFTACTGHFTZCPH-UHFFFAOYSA-N -1 3 385.729 3.916 20 0 GHADHM CC(C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436682132 852188612 /nfs/dbraw/zinc/18/86/12/852188612.db2.gz PHHJAGBNTXMPAO-NRFANRHFSA-N -1 3 380.488 3.553 20 0 GHADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436701032 852217196 /nfs/dbraw/zinc/21/71/96/852217196.db2.gz BKAKBOYFLKVJTI-VQTJNVASSA-N -1 3 394.515 3.554 20 0 GHADHM Cc1ccc(C=Cc2nc(SCc3noc(-c4ccccc4[O-])n3)n[nH]2)o1 ZINC000436702449 852221183 /nfs/dbraw/zinc/22/11/83/852221183.db2.gz CYDRYCVIVSEDGP-CMDGGOBGSA-N -1 3 381.417 3.924 20 0 GHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436714532 852237462 /nfs/dbraw/zinc/23/74/62/852237462.db2.gz IJKLMHHBGURJAM-JOCHJYFZSA-N -1 3 394.515 3.582 20 0 GHADHM COc1cccc(-c2nc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)no2)c1 ZINC000436719409 852244522 /nfs/dbraw/zinc/24/45/22/852244522.db2.gz ATEMKBPHIZALGX-UHFFFAOYSA-N -1 3 379.294 3.722 20 0 GHADHM O=C(Nc1cccc2ccsc21)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436737401 852254564 /nfs/dbraw/zinc/25/45/64/852254564.db2.gz IYFDIWUJBBGAPP-UHFFFAOYSA-N -1 3 381.457 3.597 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1C1CC1 ZINC000436740424 852259612 /nfs/dbraw/zinc/25/96/12/852259612.db2.gz SFEHVGBBHQYAMM-CQSZACIVSA-N -1 3 384.480 3.504 20 0 GHADHM CN1CC[C@H](CNC(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436733257 852274855 /nfs/dbraw/zinc/27/48/55/852274855.db2.gz VCSSPLYLFPDLFR-XIKOKIGWSA-N -1 3 380.822 3.747 20 0 GHADHM CN(C)C(=O)c1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1Cl ZINC000436761125 852280096 /nfs/dbraw/zinc/28/00/96/852280096.db2.gz WCUPRBDZNBFBKV-UHFFFAOYSA-N -1 3 388.851 3.713 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436753135 852296140 /nfs/dbraw/zinc/29/61/40/852296140.db2.gz BZMOXJVJMUGRCR-UHFFFAOYSA-N -1 3 382.460 3.840 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c([O-])c1 ZINC000436756887 852303240 /nfs/dbraw/zinc/30/32/40/852303240.db2.gz RGKAJXCCKLNFDB-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cn(-c3ccccc3)nc2C)cc1 ZINC000426725789 852310797 /nfs/dbraw/zinc/31/07/97/852310797.db2.gz DZCSYCFVKYEOSM-NRFANRHFSA-N -1 3 379.460 3.885 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3cc(Cl)ccc3Cl)nc21 ZINC000438352838 852315662 /nfs/dbraw/zinc/31/56/62/852315662.db2.gz IANVKJBPKLXKHS-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)c2cccc(OC)c2[O-])cc1Cl ZINC000436800541 852332785 /nfs/dbraw/zinc/33/27/85/852332785.db2.gz WDPVBERDDNOUTR-UHFFFAOYSA-N -1 3 386.231 3.985 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc(Br)c1O ZINC000426736709 852334688 /nfs/dbraw/zinc/33/46/88/852334688.db2.gz YMPHTQOQYDZTNJ-MRXNPFEDSA-N -1 3 394.265 3.696 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([O-])c1 ZINC000436785953 852338808 /nfs/dbraw/zinc/33/88/08/852338808.db2.gz WORTWBQGWAKHOV-CQSZACIVSA-N -1 3 391.427 3.539 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436792760 852349666 /nfs/dbraw/zinc/34/96/66/852349666.db2.gz POAWZCGOWXCKFJ-UHFFFAOYSA-N -1 3 382.504 3.559 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000436805885 852364844 /nfs/dbraw/zinc/36/48/44/852364844.db2.gz GJASHQRXYFSAQW-HXOBKFHXSA-N -1 3 383.488 3.698 20 0 GHADHM COc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426760589 852368329 /nfs/dbraw/zinc/36/83/29/852368329.db2.gz SMDMLFYCUXWROA-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436832354 852383107 /nfs/dbraw/zinc/38/31/07/852383107.db2.gz ZXEWFNXBRGSBFZ-UWJYYQICSA-N -1 3 380.488 3.507 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1 ZINC000426782576 852388273 /nfs/dbraw/zinc/38/82/73/852388273.db2.gz GXTRJTHMPNZQPW-CQSZACIVSA-N -1 3 386.192 3.966 20 0 GHADHM NC(=O)N1CCc2ccc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])cc21 ZINC000436824013 852392524 /nfs/dbraw/zinc/39/25/24/852392524.db2.gz YFMKUZKVYGRDQX-UHFFFAOYSA-N -1 3 387.439 3.677 20 0 GHADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1F ZINC000426806196 852394600 /nfs/dbraw/zinc/39/46/00/852394600.db2.gz AXEHJOLIODWOKR-HNNXBMFYSA-N -1 3 382.229 3.902 20 0 GHADHM Cn1nccc1C1=CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436843587 852409973 /nfs/dbraw/zinc/40/99/73/852409973.db2.gz IWQFCOXFOOFCCC-UHFFFAOYSA-N -1 3 375.428 3.848 20 0 GHADHM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436857630 852444316 /nfs/dbraw/zinc/44/43/16/852444316.db2.gz BFUOJLQWKSNDBA-IFXJQAMLSA-N -1 3 382.460 3.973 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436887935 852460631 /nfs/dbraw/zinc/46/06/31/852460631.db2.gz RSDLHOILOOCDHO-AATRIKPKSA-N -1 3 392.499 3.904 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C(C)C)C3)nc(=O)c2c1C ZINC000438499025 852489776 /nfs/dbraw/zinc/48/97/76/852489776.db2.gz ZFHHTVSVJWYJPF-QWHCGFSZSA-N -1 3 377.510 3.509 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c([O-])c1 ZINC000436929906 852511479 /nfs/dbraw/zinc/51/14/79/852511479.db2.gz WUCXRJJAZQBVDK-HNNXBMFYSA-N -1 3 396.487 3.664 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(I)cc2C)c1[O-] ZINC000436932536 852515744 /nfs/dbraw/zinc/51/57/44/852515744.db2.gz DDKZISQNDKLFBI-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CC(C)Cc1ccc(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436944094 852525607 /nfs/dbraw/zinc/52/56/07/852525607.db2.gz LSYHAZFCSKGYJP-UHFFFAOYSA-N -1 3 394.515 3.554 20 0 GHADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436963561 852535441 /nfs/dbraw/zinc/53/54/41/852535441.db2.gz ZTKLJXXYLSOQSW-UHFFFAOYSA-N -1 3 387.867 3.598 20 0 GHADHM C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436957022 852546720 /nfs/dbraw/zinc/54/67/20/852546720.db2.gz QZVWXDWSEPVWGJ-SUMWQHHRSA-N -1 3 394.393 3.568 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c([O-])c1 ZINC000436958595 852549859 /nfs/dbraw/zinc/54/98/59/852549859.db2.gz BNBLTZGBZSDYBW-BEFAXECRSA-N -1 3 384.451 3.569 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c([O-])c1 ZINC000436980255 852567121 /nfs/dbraw/zinc/56/71/21/852567121.db2.gz MPZKAQPLVWOTET-HOTGVXAUSA-N -1 3 391.512 3.657 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000436983075 852571305 /nfs/dbraw/zinc/57/13/05/852571305.db2.gz BYGWOMGTKDYEBF-RXBISOJRSA-N -1 3 375.490 3.800 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]3C(C)C)cs2)c1 ZINC000436982617 852571982 /nfs/dbraw/zinc/57/19/82/852571982.db2.gz XTQWOMWRTDMDPI-INIZCTEOSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1nc([C@@](C)(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C2CC2)no1 ZINC000436989476 852580285 /nfs/dbraw/zinc/58/02/85/852580285.db2.gz MDVWJTDRRJFRTE-NRFANRHFSA-N -1 3 379.416 3.931 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(C(F)F)c1Cl ZINC000436998995 852613022 /nfs/dbraw/zinc/61/30/22/852613022.db2.gz DFQGEDUULCICPT-UHFFFAOYSA-N -1 3 383.782 3.535 20 0 GHADHM CCC1(CC)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000437000490 852617563 /nfs/dbraw/zinc/61/75/63/852617563.db2.gz UIQRJTPKIPJUGH-HXUWFJFHSA-N -1 3 380.488 3.902 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000516537682 852713786 /nfs/dbraw/zinc/71/37/86/852713786.db2.gz MSLQERFNIGWHKU-JSGCOSHPSA-N -1 3 396.871 3.983 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000507290037 852763626 /nfs/dbraw/zinc/76/36/26/852763626.db2.gz OUSKPQZDDAZSJC-XJKSGUPXSA-N -1 3 382.888 3.593 20 0 GHADHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000518040897 852774397 /nfs/dbraw/zinc/77/43/97/852774397.db2.gz MQJWOFAPQGYQLA-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000507319864 852788541 /nfs/dbraw/zinc/78/85/41/852788541.db2.gz QZHYVKIVZZMKBX-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(C(F)(F)F)c3)cs2)no1 ZINC000438762527 852815937 /nfs/dbraw/zinc/81/59/37/852815937.db2.gz CNUXXQRWBIFANN-UHFFFAOYSA-N -1 3 397.334 3.856 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000645309739 852904786 /nfs/dbraw/zinc/90/47/86/852904786.db2.gz QUVBVBKKQRUHIU-INIZCTEOSA-N -1 3 382.794 3.607 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000437294846 852989124 /nfs/dbraw/zinc/98/91/24/852989124.db2.gz NNLJEVPOYDPYQT-BDAKNGLRSA-N -1 3 375.334 3.751 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752642 862415063 /nfs/dbraw/zinc/41/50/63/862415063.db2.gz LJOIBYAGNLODDE-UWVGGRQHSA-N -1 3 385.247 3.753 20 0 GHADHM CCN(C(=O)[C@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1)c1ccccc1 ZINC000490420236 853006178 /nfs/dbraw/zinc/00/61/78/853006178.db2.gz RQMUXKZILVSQRD-INIZCTEOSA-N -1 3 397.500 3.600 20 0 GHADHM CCc1cc2c(CN3CCO[C@@H](c4ccc(F)cc4)C3)cc(=O)oc2cc1[O-] ZINC000913051717 853017562 /nfs/dbraw/zinc/01/75/62/853017562.db2.gz QCEHDPOHNNVTCM-OAQYLSRUSA-N -1 3 383.419 3.774 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1C ZINC000516806132 853040405 /nfs/dbraw/zinc/04/04/05/853040405.db2.gz NLOIZLXWOLQOJG-UHFFFAOYSA-N -1 3 385.917 3.927 20 0 GHADHM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000518212071 853076279 /nfs/dbraw/zinc/07/62/79/853076279.db2.gz BPXRXISKWKFLJF-OAHLLOKOSA-N -1 3 378.394 3.758 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000490577515 853101673 /nfs/dbraw/zinc/10/16/73/853101673.db2.gz GOFDQZJKTQLCMP-GTNSWQLSSA-N -1 3 395.477 3.923 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000439019952 853190001 /nfs/dbraw/zinc/19/00/01/853190001.db2.gz MMGUSFIIQDAPGP-UHFFFAOYSA-N -1 3 390.487 3.869 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccc(Br)cc1 ZINC000913299243 853209530 /nfs/dbraw/zinc/20/95/30/853209530.db2.gz WQQWJLDDAFTHHH-SNVBAGLBSA-N -1 3 389.205 3.860 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccc(Br)cc1 ZINC000913299243 853209541 /nfs/dbraw/zinc/20/95/41/853209541.db2.gz WQQWJLDDAFTHHH-SNVBAGLBSA-N -1 3 389.205 3.860 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000913301764 853211738 /nfs/dbraw/zinc/21/17/38/853211738.db2.gz AOUJIHHEYWUCPG-FQEVSTJZSA-N -1 3 393.443 3.979 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000913301764 853211746 /nfs/dbraw/zinc/21/17/46/853211746.db2.gz AOUJIHHEYWUCPG-FQEVSTJZSA-N -1 3 393.443 3.979 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCc1cccc(OCc3ccccc3)c1)C2 ZINC000913295413 853219366 /nfs/dbraw/zinc/21/93/66/853219366.db2.gz SVKBSPHYSDTXPS-UHFFFAOYSA-N -1 3 389.455 3.545 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000518374087 853271767 /nfs/dbraw/zinc/27/17/67/853271767.db2.gz SIQCXCRLANNCTR-QGTPRVQTSA-N -1 3 386.879 3.776 20 0 GHADHM Cc1ccncc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000439164592 853353641 /nfs/dbraw/zinc/35/36/41/853353641.db2.gz GKRZNDBWBXSSND-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000519684981 853391831 /nfs/dbraw/zinc/39/18/31/853391831.db2.gz PFUMNKZQMCUEPF-GDBMZVCRSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000519684981 853391843 /nfs/dbraw/zinc/39/18/43/853391843.db2.gz PFUMNKZQMCUEPF-GDBMZVCRSA-N -1 3 385.830 3.715 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000518467654 853400341 /nfs/dbraw/zinc/40/03/41/853400341.db2.gz RRFZMFVJCVBLRV-UHFFFAOYSA-N -1 3 382.272 3.724 20 0 GHADHM CC(C)(NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cc(C(F)(F)F)on1 ZINC000518482223 853408690 /nfs/dbraw/zinc/40/86/90/853408690.db2.gz KFRMLZXNIAZXEL-UHFFFAOYSA-N -1 3 378.354 3.881 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000604772591 862465049 /nfs/dbraw/zinc/46/50/49/862465049.db2.gz RSMCFHQXLNOJDJ-TVQRCGJNSA-N -1 3 395.324 3.957 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000604772577 862466789 /nfs/dbraw/zinc/46/67/89/862466789.db2.gz RSMCFHQXLNOJDJ-NOZJJQNGSA-N -1 3 395.324 3.957 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1Cl ZINC000519805092 853500924 /nfs/dbraw/zinc/50/09/24/853500924.db2.gz DBXYNZNCJGFPCH-CQSZACIVSA-N -1 3 381.881 3.962 20 0 GHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000518560072 853506891 /nfs/dbraw/zinc/50/68/91/853506891.db2.gz QCLVKJGROUHZJJ-UHFFFAOYSA-N -1 3 377.366 3.540 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)C2CCCCC2)cc1OC ZINC000437843103 853583144 /nfs/dbraw/zinc/58/31/44/853583144.db2.gz QKAOAKMFNJKTIR-CYBMUJFWSA-N -1 3 383.514 3.547 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000437845236 853585465 /nfs/dbraw/zinc/58/54/65/853585465.db2.gz JFMCBPUVPOOIMD-IBGZPJMESA-N -1 3 397.541 3.891 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cnc(C(C)C)nc3)cc2)cc(=O)[n-]1 ZINC000517274505 853590195 /nfs/dbraw/zinc/59/01/95/853590195.db2.gz VDRFEEYQVHIMBX-UHFFFAOYSA-N -1 3 392.463 3.735 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1OC ZINC000054984481 853624459 /nfs/dbraw/zinc/62/44/59/853624459.db2.gz VDUIORLZDCHICT-UHFFFAOYSA-N -1 3 393.534 3.883 20 0 GHADHM O=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519959479 853666676 /nfs/dbraw/zinc/66/66/76/853666676.db2.gz CADSDRYNGCABDU-UHFFFAOYSA-N -1 3 377.444 3.594 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C)s2)cc1Cl ZINC000729484866 853813052 /nfs/dbraw/zinc/81/30/52/853813052.db2.gz UCRKZASLKOYNPJ-VIFPVBQESA-N -1 3 390.889 3.847 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2ccccc2cc1OC(F)F ZINC000481911360 862509836 /nfs/dbraw/zinc/50/98/36/862509836.db2.gz FBKOZGSZKZVUNL-UHFFFAOYSA-N -1 3 386.280 3.508 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481915576 862513867 /nfs/dbraw/zinc/51/38/67/862513867.db2.gz MKFALYKQJRXSCG-LBPRGKRZSA-N -1 3 390.365 3.574 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000729485699 853948842 /nfs/dbraw/zinc/94/88/42/853948842.db2.gz QZPOLMCIQFGYHL-SFHVURJKSA-N -1 3 395.427 3.571 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccccc3C(C)C)nc2)n1 ZINC000520340151 854096735 /nfs/dbraw/zinc/09/67/35/854096735.db2.gz YATZHSXRROICMZ-UHFFFAOYSA-N -1 3 378.476 3.843 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc2ccccc12 ZINC000588174089 854199225 /nfs/dbraw/zinc/19/92/25/854199225.db2.gz CLADRTVDAVFNAP-UHFFFAOYSA-N -1 3 382.272 3.724 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2nc(-c3ccccc3)no2)sc1Cl ZINC000473938053 854343321 /nfs/dbraw/zinc/34/33/21/854343321.db2.gz OOCYZYJTUPNCQU-NSHDSACASA-N -1 3 397.909 3.842 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC(Cc2ccccc2Br)C1 ZINC000629602721 854364968 /nfs/dbraw/zinc/36/49/68/854364968.db2.gz FMAJLLHMEYVMPC-UHFFFAOYSA-N -1 3 378.241 3.537 20 0 GHADHM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)cc21 ZINC000572155089 854389253 /nfs/dbraw/zinc/38/92/53/854389253.db2.gz AROODXRMAWZFFK-UHFFFAOYSA-N -1 3 381.457 3.667 20 0 GHADHM COc1cc(NC(=O)c2c(C)cccc2[O-])c(C(=O)N2CCCCC2)cc1OC ZINC000624006885 862580156 /nfs/dbraw/zinc/58/01/56/862580156.db2.gz HKSLFOMXFJDQEP-UHFFFAOYSA-N -1 3 398.459 3.596 20 0 GHADHM Cc1nc(C)c(CC(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)c(=O)[n-]1 ZINC000056379695 854664692 /nfs/dbraw/zinc/66/46/92/854664692.db2.gz KFFUXBLWPASTCS-OAHLLOKOSA-N -1 3 375.472 3.835 20 0 GHADHM O=C(NC[C@H]1CCc2ccccc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112638361 854763978 /nfs/dbraw/zinc/76/39/78/854763978.db2.gz JXHQTRBAXSJRNO-CYBMUJFWSA-N -1 3 397.272 3.750 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3nnn(-c4ccccc4)c3C)n2)s1 ZINC000589352943 854822821 /nfs/dbraw/zinc/82/28/21/854822821.db2.gz RFZKDFLTXSYXCS-UHFFFAOYSA-N -1 3 382.474 3.716 20 0 GHADHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000765795219 854837069 /nfs/dbraw/zinc/83/70/69/854837069.db2.gz QOTRAYMTUTUOOZ-MRXNPFEDSA-N -1 3 375.749 3.734 20 0 GHADHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000188571436 854878445 /nfs/dbraw/zinc/87/84/45/854878445.db2.gz YUDWTTULEHNTDG-UHFFFAOYSA-N -1 3 379.441 3.611 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccco1 ZINC000188835420 854938457 /nfs/dbraw/zinc/93/84/57/854938457.db2.gz UMLOMBYDTLZSKV-CYBMUJFWSA-N -1 3 378.450 3.898 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c(F)c1 ZINC000589553099 855023211 /nfs/dbraw/zinc/02/32/11/855023211.db2.gz AYUGNSFFPZZANU-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3=C(C)OCCC3)cc2)cc1 ZINC000157136904 855046911 /nfs/dbraw/zinc/04/69/11/855046911.db2.gz GEDORGBDDKFISY-UHFFFAOYSA-N -1 3 386.473 3.819 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c([O-])c1 ZINC000189591487 855140805 /nfs/dbraw/zinc/14/08/05/855140805.db2.gz WAYJLBXWGVZHFY-CQSZACIVSA-N -1 3 378.432 3.603 20 0 GHADHM COc1cccc(Cc2nnc(NC(=O)c3cc([O-])ccc3Cl)s2)c1 ZINC000550412823 855215231 /nfs/dbraw/zinc/21/52/31/855215231.db2.gz RQDUTZSECXNOOR-UHFFFAOYSA-N -1 3 375.837 3.749 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)s2)c(C)c1 ZINC000590000997 855221532 /nfs/dbraw/zinc/22/15/32/855221532.db2.gz FXVYNFPIGCHNBH-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)s2)c(C)c1 ZINC000590000997 855221546 /nfs/dbraw/zinc/22/15/46/855221546.db2.gz FXVYNFPIGCHNBH-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CCOc1ccccc1CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000590079132 855258354 /nfs/dbraw/zinc/25/83/54/855258354.db2.gz YFRYZUGPOLCHQH-UHFFFAOYSA-N -1 3 392.459 3.921 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(Br)c(F)cc1F ZINC000190480822 855339475 /nfs/dbraw/zinc/33/94/75/855339475.db2.gz FNFXWACMOKKFNS-UHFFFAOYSA-N -1 3 387.571 3.676 20 0 GHADHM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1C ZINC000055588988 855354186 /nfs/dbraw/zinc/35/41/86/855354186.db2.gz JGWBGFMXAYZSIA-UHFFFAOYSA-N -1 3 390.505 3.580 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CC)ccc2C)cc1 ZINC000055594917 855355385 /nfs/dbraw/zinc/35/53/85/855355385.db2.gz UQAXVLZZDBXCSH-UHFFFAOYSA-N -1 3 376.478 3.933 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)c(Cl)c1 ZINC000055631706 855362853 /nfs/dbraw/zinc/36/28/53/855362853.db2.gz BPCOBGNLLKGKTC-CQSZACIVSA-N -1 3 385.844 3.838 20 0 GHADHM COc1ccc(C2(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)CCC2)cc1OC ZINC000542706137 855514402 /nfs/dbraw/zinc/51/44/02/855514402.db2.gz RGHAICNIEPXKEK-UHFFFAOYSA-N -1 3 377.444 3.576 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509201186 862690292 /nfs/dbraw/zinc/69/02/92/862690292.db2.gz CTVYSHLLQBBOQC-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM CC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccs1 ZINC000482077640 862697115 /nfs/dbraw/zinc/69/71/15/862697115.db2.gz OZAAQKCETQHELP-GFCCVEGCSA-N -1 3 379.283 3.853 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1F ZINC000542758783 855660498 /nfs/dbraw/zinc/66/04/98/855660498.db2.gz KTBUYEFYDWCCON-GOEBONIOSA-N -1 3 387.835 3.817 20 0 GHADHM Cc1ccccc1COc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000573024141 855691384 /nfs/dbraw/zinc/69/13/84/855691384.db2.gz SFCOHJLUDHQVPO-HXUWFJFHSA-N -1 3 375.490 3.885 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)[S@@](=O)c2ccc([O-])cc2)c(Br)c1 ZINC000108084269 855700482 /nfs/dbraw/zinc/70/04/82/855700482.db2.gz VFFUTWJAPOXBSF-SAHAZLINSA-N -1 3 382.279 3.598 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(Br)cc1)NCc1csc(C2CC2)n1 ZINC000417611496 855728682 /nfs/dbraw/zinc/72/86/82/855728682.db2.gz WCACFRFQVJVGMF-CQSZACIVSA-N -1 3 381.295 3.569 20 0 GHADHM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1ccc(Br)s1 ZINC000614615213 855767918 /nfs/dbraw/zinc/76/79/18/855767918.db2.gz BNRSEMLDVXXODB-UHFFFAOYSA-N -1 3 392.365 3.929 20 0 GHADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)CC1 ZINC000591257495 855829609 /nfs/dbraw/zinc/82/96/09/855829609.db2.gz QHYXRTCIWCAJCB-UHFFFAOYSA-N -1 3 377.437 3.720 20 0 GHADHM Cc1ccc(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000546319311 855870387 /nfs/dbraw/zinc/87/03/87/855870387.db2.gz SRJWWDMVLWBPFO-CYBMUJFWSA-N -1 3 391.880 3.662 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193487581 855908860 /nfs/dbraw/zinc/90/88/60/855908860.db2.gz BMKKLKHHDQFRBN-UHFFFAOYSA-N -1 3 381.476 3.814 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 ZINC000591366925 855952137 /nfs/dbraw/zinc/95/21/37/855952137.db2.gz OXPXXDRDELHKGS-UHFFFAOYSA-N -1 3 392.786 3.983 20 0 GHADHM CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000028271442 855993989 /nfs/dbraw/zinc/99/39/89/855993989.db2.gz FCXZNGSXBYKGOW-CYBMUJFWSA-N -1 3 376.478 3.789 20 0 GHADHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1OCC ZINC000057701074 856000580 /nfs/dbraw/zinc/00/05/80/856000580.db2.gz XCEDZSARAFNKFF-LBPRGKRZSA-N -1 3 385.432 3.802 20 0 GHADHM CCO[C@@H](C)c1nc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cs1 ZINC000485091425 856088095 /nfs/dbraw/zinc/08/80/95/856088095.db2.gz JJUVFQVSIDSCKY-NSHDSACASA-N -1 3 397.460 3.953 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2sc(C(F)(F)F)nc2C)c1F ZINC000485147197 856145042 /nfs/dbraw/zinc/14/50/42/856145042.db2.gz CKPHMBNTLYPWSF-UHFFFAOYSA-N -1 3 380.294 3.787 20 0 GHADHM Cc1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc2)c1 ZINC000485134605 856147582 /nfs/dbraw/zinc/14/75/82/856147582.db2.gz PWTCGSQIONUBLU-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(=O)[n-]1 ZINC000031226507 856153525 /nfs/dbraw/zinc/15/35/25/856153525.db2.gz UVYAFUGPQFSSAO-UHFFFAOYSA-N -1 3 390.468 3.845 20 0 GHADHM O=C(Nc1nc2cc[nH]cc-2n1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760853637 856185921 /nfs/dbraw/zinc/18/59/21/856185921.db2.gz MMEYGNZWIGCBTC-UHFFFAOYSA-N -1 3 397.394 3.844 20 0 GHADHM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccsc1 ZINC000671672382 856190980 /nfs/dbraw/zinc/19/09/80/856190980.db2.gz WDDHAPZPVDOHGN-YUMQZZPRSA-N -1 3 381.363 3.936 20 0 GHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000485278024 856315385 /nfs/dbraw/zinc/31/53/85/856315385.db2.gz YNMQPPVYPZPYOA-UHFFFAOYSA-N -1 3 377.506 3.935 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1snnc1C1CC1 ZINC000573610377 856316263 /nfs/dbraw/zinc/31/62/63/856316263.db2.gz KUXSTSDYAOMJCB-UHFFFAOYSA-N -1 3 380.260 3.787 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N[C@H]1CCCc2sccc21 ZINC000482189177 862787919 /nfs/dbraw/zinc/78/79/19/862787919.db2.gz VQQLOQWIOXKLCW-ZDUSSCGKSA-N -1 3 391.294 3.779 20 0 GHADHM CCc1noc([C@H]2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)n1 ZINC000921794028 856451015 /nfs/dbraw/zinc/45/10/15/856451015.db2.gz GZONOFRQZJJVCB-VHSXEESVSA-N -1 3 390.292 3.553 20 0 GHADHM O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472025934 856465286 /nfs/dbraw/zinc/46/52/86/856465286.db2.gz RFPMVWFMBFVGEW-GOSISDBHSA-N -1 3 396.443 3.838 20 0 GHADHM COc1ccc(Cn2cc(C(=O)Nc3ccc(Cl)cc3[O-])cn2)cc1OC ZINC000427651214 856472059 /nfs/dbraw/zinc/47/20/59/856472059.db2.gz OASYSVUKPGBCMQ-UHFFFAOYSA-N -1 3 387.823 3.560 20 0 GHADHM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472143940 856476056 /nfs/dbraw/zinc/47/60/56/856476056.db2.gz KDKBZXZWDCKJHY-UHFFFAOYSA-N -1 3 390.439 3.579 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)s1 ZINC000905809332 856610112 /nfs/dbraw/zinc/61/01/12/856610112.db2.gz XNJPIXDJXDVEQZ-CQSZACIVSA-N -1 3 389.477 3.704 20 0 GHADHM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000669434652 856663089 /nfs/dbraw/zinc/66/30/89/856663089.db2.gz IIZGIFXLFANVDP-YLJYHZDGSA-N -1 3 396.462 3.643 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000482211992 862824302 /nfs/dbraw/zinc/82/43/02/862824302.db2.gz PALBDTNXKUTDPM-UHFFFAOYSA-N -1 3 392.303 3.580 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3coc(-c4ccc(F)cc4)n3)no1)OCO2 ZINC000436898489 856675284 /nfs/dbraw/zinc/67/52/84/856675284.db2.gz YAURWZIXORBATR-UHFFFAOYSA-N -1 3 381.319 3.556 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000485495561 856680385 /nfs/dbraw/zinc/68/03/85/856680385.db2.gz PMXBIVRHUXQBNW-UHFFFAOYSA-N -1 3 391.323 3.576 20 0 GHADHM COc1cc(C)nc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000605146055 862830359 /nfs/dbraw/zinc/83/03/59/862830359.db2.gz NOMUKOYRKMVXFE-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)C)c2)cc1 ZINC000508037579 856842126 /nfs/dbraw/zinc/84/21/26/856842126.db2.gz HWYNICMKFJVMMI-UHFFFAOYSA-N -1 3 390.505 3.580 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC000508066333 856852088 /nfs/dbraw/zinc/85/20/88/856852088.db2.gz BJTILVAWLZIYOF-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508088293 856886787 /nfs/dbraw/zinc/88/67/87/856886787.db2.gz ZFHHIDRLSZNNDI-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCOC(=O)c1sc2[n-]c(Cc3nc4ccccc4s3)nc(=O)c2c1C ZINC000046702869 856904591 /nfs/dbraw/zinc/90/45/91/856904591.db2.gz AALGRFKLZOSJQJ-UHFFFAOYSA-N -1 3 385.470 3.670 20 0 GHADHM COc1cc(C(=O)[N-]c2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)on1 ZINC000485688301 856927321 /nfs/dbraw/zinc/92/73/21/856927321.db2.gz PMQNPSJQSBHKIA-UHFFFAOYSA-N -1 3 397.822 3.940 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000046851501 856937549 /nfs/dbraw/zinc/93/75/49/856937549.db2.gz MCQLMRMDXNQNCN-UHFFFAOYSA-N -1 3 391.427 3.736 20 0 GHADHM CCCCc1nc(NC(=O)C[C@@H]2CCOc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485705965 856956829 /nfs/dbraw/zinc/95/68/29/856956829.db2.gz AAYDXDCNTQWLRH-AWEZNQCLSA-N -1 3 385.464 3.824 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cc(F)cc(F)c1 ZINC000508125516 856958978 /nfs/dbraw/zinc/95/89/78/856958978.db2.gz OXBMZAKFCJSIKI-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1F ZINC000047268798 856987245 /nfs/dbraw/zinc/98/72/45/856987245.db2.gz VEACSSSNMJBMHS-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000047327777 856994413 /nfs/dbraw/zinc/99/44/13/856994413.db2.gz JULOXWCOWVDAOW-UHFFFAOYSA-N -1 3 389.242 3.628 20 0 GHADHM Cc1ccc(C)c(OC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000056335527 857038475 /nfs/dbraw/zinc/03/84/75/857038475.db2.gz RPUPWUBPRVHHPB-UHFFFAOYSA-N -1 3 376.456 3.829 20 0 GHADHM CC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000675143740 857042091 /nfs/dbraw/zinc/04/20/91/857042091.db2.gz NFQIIJXCNPCYRW-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3c(Cl)nc4ccccn43)CCCC2)n1 ZINC000171838742 862869627 /nfs/dbraw/zinc/86/96/27/862869627.db2.gz UZQHNRLVIWCYLO-UHFFFAOYSA-N -1 3 396.925 3.500 20 0 GHADHM COc1ccc(C(=O)N2CCc3c(F)cc(Br)cc3C2)c([O-])c1 ZINC000675247283 857113093 /nfs/dbraw/zinc/11/30/93/857113093.db2.gz MCUYBBPVCXULFZ-UHFFFAOYSA-N -1 3 380.213 3.501 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000592863802 857114253 /nfs/dbraw/zinc/11/42/53/857114253.db2.gz XUIKKKLIKWZUNQ-JKSUJKDBSA-N -1 3 397.862 3.911 20 0 GHADHM CCOC(=O)CCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000593059065 857179485 /nfs/dbraw/zinc/17/94/85/857179485.db2.gz QTNMLYXSMNDUGF-UHFFFAOYSA-N -1 3 392.868 3.610 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000057301394 857185363 /nfs/dbraw/zinc/18/53/63/857185363.db2.gz FSWVCZZFCIIERJ-KGLIPLIRSA-N -1 3 378.469 3.791 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(Cl)s1 ZINC000173958405 857187408 /nfs/dbraw/zinc/18/74/08/857187408.db2.gz PETKJRQBTURFKV-UHFFFAOYSA-N -1 3 375.874 3.525 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1cccnc1C(F)(F)F ZINC000672378748 857228676 /nfs/dbraw/zinc/22/86/76/857228676.db2.gz HCXMCVQNDKOXPA-UHFFFAOYSA-N -1 3 396.390 3.611 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000574184215 857263746 /nfs/dbraw/zinc/26/37/46/857263746.db2.gz HXANZSFRIYTDSN-CQSZACIVSA-N -1 3 378.252 3.535 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(I)ccc1F ZINC000532145590 881237015 /nfs/dbraw/zinc/23/70/15/881237015.db2.gz PMEHSFALTOQCMN-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000485978308 857288535 /nfs/dbraw/zinc/28/85/35/857288535.db2.gz BUHPDDTZPBVRTP-TWGQIWQCSA-N -1 3 375.428 3.958 20 0 GHADHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3c(C)csc3C)on2)cc1 ZINC001212457570 857375060 /nfs/dbraw/zinc/37/50/60/857375060.db2.gz QMMGPOPWOFNSLX-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000906922445 857392308 /nfs/dbraw/zinc/39/23/08/857392308.db2.gz WHDGXXXSDHKUSF-ZDUSSCGKSA-N -1 3 387.386 3.638 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccoc3)ccc2C)cc1 ZINC000016202415 857407898 /nfs/dbraw/zinc/40/78/98/857407898.db2.gz NEMDHSXHGNWLNF-UHFFFAOYSA-N -1 3 386.429 3.650 20 0 GHADHM COCCN(Cc1ccc(C)o1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906990840 857419349 /nfs/dbraw/zinc/41/93/49/857419349.db2.gz KKCOEOGJXQYOTO-UHFFFAOYSA-N -1 3 395.481 3.680 20 0 GHADHM CCCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482308677 862921931 /nfs/dbraw/zinc/92/19/31/862921931.db2.gz OKXYASODEWDIAV-UHFFFAOYSA-N -1 3 393.281 3.943 20 0 GHADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(CN2CCCCC2=O)CC1 ZINC000521055827 857548680 /nfs/dbraw/zinc/54/86/80/857548680.db2.gz FKKPXHBSCOXVMS-SFHVURJKSA-N -1 3 398.425 3.556 20 0 GHADHM COc1cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)cc(OC)c1[O-] ZINC000486261162 857598595 /nfs/dbraw/zinc/59/85/95/857598595.db2.gz MHIVQWQOFOQSAH-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001168402585 857630450 /nfs/dbraw/zinc/63/04/50/857630450.db2.gz DXCFRKDNQGYALD-HNDQUVLASA-N -1 3 387.892 3.570 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000063803313 857661329 /nfs/dbraw/zinc/66/13/29/857661329.db2.gz BHCQFTLVXSYMBH-CYBMUJFWSA-N -1 3 376.815 3.676 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000063879777 857669707 /nfs/dbraw/zinc/66/97/07/857669707.db2.gz GFARVCBRTMJVFO-UHFFFAOYSA-N -1 3 395.546 3.621 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(c1ccccc1)c1ccccc1 ZINC000065789804 857790105 /nfs/dbraw/zinc/79/01/05/857790105.db2.gz OJPJPTBQFNGHLI-OAHLLOKOSA-N -1 3 399.450 3.912 20 0 GHADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000676216801 857790828 /nfs/dbraw/zinc/79/08/28/857790828.db2.gz AWOIJDPEIFAGOC-UHFFFAOYSA-N -1 3 378.447 3.850 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000109497732 857875741 /nfs/dbraw/zinc/87/57/41/857875741.db2.gz NNYXLAKNMFZFOF-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1Cl ZINC000046467059 857891426 /nfs/dbraw/zinc/89/14/26/857891426.db2.gz QXJGJSQLOAGCCV-NSHDSACASA-N -1 3 393.336 3.696 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2sc(Br)cc2C1 ZINC000676456777 857898038 /nfs/dbraw/zinc/89/80/38/857898038.db2.gz NYAMEXPNBDYVRQ-UHFFFAOYSA-N -1 3 389.274 3.551 20 0 GHADHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)cc1[O-] ZINC000066041822 857898245 /nfs/dbraw/zinc/89/82/45/857898245.db2.gz QGKDBHWJMZTPHW-AWEZNQCLSA-N -1 3 395.322 3.783 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(OC(C)C)nc3)nc(=O)c2c1C ZINC000046473782 857898627 /nfs/dbraw/zinc/89/86/27/857898627.db2.gz KCXCOCCDFBLTJR-NSHDSACASA-N -1 3 387.461 3.702 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000486602518 857905307 /nfs/dbraw/zinc/90/53/07/857905307.db2.gz YMBSIPOBGDHXET-KRWDZBQOSA-N -1 3 387.423 3.675 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000486658676 857938449 /nfs/dbraw/zinc/93/84/49/857938449.db2.gz PTDDPIRJYIBVIM-AWEZNQCLSA-N -1 3 393.256 3.993 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1CO ZINC000067660087 858054675 /nfs/dbraw/zinc/05/46/75/858054675.db2.gz QBMSGUGHDNUWNR-UHFFFAOYSA-N -1 3 393.358 3.536 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnc(-c2ccccc2F)s1 ZINC000067789867 858069335 /nfs/dbraw/zinc/06/93/35/858069335.db2.gz DZRIGOKZQRTJAC-UHFFFAOYSA-N -1 3 391.449 3.573 20 0 GHADHM CC(C)(C)OC(=O)CCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000594321897 858095542 /nfs/dbraw/zinc/09/55/42/858095542.db2.gz HANGHSWKMVRYKV-UHFFFAOYSA-N -1 3 386.286 3.673 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1cnccc1C(F)(F)F ZINC000442743544 858104904 /nfs/dbraw/zinc/10/49/04/858104904.db2.gz QNWUESXKZDOSEL-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1OCC(F)F ZINC000521569889 858124912 /nfs/dbraw/zinc/12/49/12/858124912.db2.gz JGAYQGGNUCBNPI-LBPRGKRZSA-N -1 3 383.416 3.763 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1c(Cl)cccc1Cl ZINC000442767438 858128333 /nfs/dbraw/zinc/12/83/33/858128333.db2.gz MVDIVLRKGLXPLF-ZDUSSCGKSA-N -1 3 376.236 3.935 20 0 GHADHM C[C@H](OCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000442894451 858215330 /nfs/dbraw/zinc/21/53/30/858215330.db2.gz BZGROMJROKVYDL-ZDUSSCGKSA-N -1 3 388.411 3.547 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000482363992 863001185 /nfs/dbraw/zinc/00/11/85/863001185.db2.gz JLNYSTQNNWWOQD-UHFFFAOYSA-N -1 3 380.366 3.945 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1Oc1cccc(F)c1 ZINC000594769972 858276663 /nfs/dbraw/zinc/27/66/63/858276663.db2.gz KNAHXASSJWEAQN-UHFFFAOYSA-N -1 3 376.409 3.701 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN1Cc1ccccc1 ZINC000521745371 858294407 /nfs/dbraw/zinc/29/44/07/858294407.db2.gz JFGSMYRYEJQZEQ-MRXNPFEDSA-N -1 3 375.266 3.758 20 0 GHADHM C[C@@H](c1nnc(SCc2ncccc2[O-])n1-c1ccc(Cl)cc1)N(C)C ZINC000574771087 858313559 /nfs/dbraw/zinc/31/35/59/858313559.db2.gz QQVBVUXVVKHGGJ-LBPRGKRZSA-N -1 3 389.912 3.936 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cc(F)ccc1Br ZINC000443094378 858372063 /nfs/dbraw/zinc/37/20/63/858372063.db2.gz OJJMORGCBDCJAM-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1cccc(O)c1 ZINC000443183863 858447558 /nfs/dbraw/zinc/44/75/58/858447558.db2.gz ZHGPTBBHVOUHFP-ZETCQYMHSA-N -1 3 396.715 3.909 20 0 GHADHM CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138989 858449288 /nfs/dbraw/zinc/44/92/88/858449288.db2.gz QHCJGGAWRNZKCR-GOSISDBHSA-N -1 3 399.878 3.849 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1-c1cccc(Cl)c1 ZINC000067148077 858452549 /nfs/dbraw/zinc/45/25/49/858452549.db2.gz IXRKPTJHRSKNPH-UHFFFAOYSA-N -1 3 384.799 3.525 20 0 GHADHM Cc1sc(Br)c(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c1C ZINC000443268721 858516685 /nfs/dbraw/zinc/51/66/85/858516685.db2.gz FWZZYIPNKGKJGY-UHFFFAOYSA-N -1 3 377.267 3.587 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000443271350 858519664 /nfs/dbraw/zinc/51/96/64/858519664.db2.gz YPRGHMMNEMRCPU-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CN(Cc1ccccc1F)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000605402980 863037187 /nfs/dbraw/zinc/03/71/87/863037187.db2.gz UGVUKFYAOVUTMT-UHFFFAOYSA-N -1 3 394.324 3.838 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(c3cccc(F)c3)C(C)C)nc(=O)c2c1C ZINC000595825483 858699591 /nfs/dbraw/zinc/69/95/91/858699591.db2.gz YWHHVLSYRMUWNG-UHFFFAOYSA-N -1 3 389.452 3.634 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2ccc(F)c(F)c2F)C(=O)[O-])c1 ZINC000596022765 858745242 /nfs/dbraw/zinc/74/52/42/858745242.db2.gz WKBDSVAYGQCXAG-OAHLLOKOSA-N -1 3 385.407 3.589 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000027802209 858794208 /nfs/dbraw/zinc/79/42/08/858794208.db2.gz HKHKWMFCDJBPRC-UHFFFAOYSA-N -1 3 399.472 3.965 20 0 GHADHM Cc1ccc(CN(CCO)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000181960997 863064920 /nfs/dbraw/zinc/06/49/20/863064920.db2.gz BJVYIECCWCGCEX-UHFFFAOYSA-N -1 3 395.484 3.548 20 0 GHADHM COc1ccc(OCc2ccccn2)c(CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000665341998 858811392 /nfs/dbraw/zinc/81/13/92/858811392.db2.gz MUOMDCMKRBUXFU-UHFFFAOYSA-N -1 3 384.476 3.746 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(OCc3cccc(F)c3)cc2)[n-]1 ZINC000895237099 858855441 /nfs/dbraw/zinc/85/54/41/858855441.db2.gz UQPYUXLILPLIJP-AWEZNQCLSA-N -1 3 398.438 3.550 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCc1nc(C(C)C)no1 ZINC000470604427 858871249 /nfs/dbraw/zinc/87/12/49/858871249.db2.gz CKQREMVWFZAQIV-UHFFFAOYSA-N -1 3 397.884 3.812 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnc(Cc2ccccc2F)s1 ZINC000482824459 858884528 /nfs/dbraw/zinc/88/45/28/858884528.db2.gz IVCSIRAZEUEZMT-UHFFFAOYSA-N -1 3 378.432 3.937 20 0 GHADHM CCc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509271322 858896965 /nfs/dbraw/zinc/89/69/65/858896965.db2.gz SVZXVGGAPQIQGC-UHFFFAOYSA-N -1 3 389.702 3.538 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1c(Cl)cccc1Br ZINC000509290168 858962624 /nfs/dbraw/zinc/96/26/24/858962624.db2.gz ZQDPFLIDCMAOCA-NSHDSACASA-N -1 3 396.734 3.730 20 0 GHADHM Cc1ncc(CNC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000543611637 859002096 /nfs/dbraw/zinc/00/20/96/859002096.db2.gz IKBADQBKDSGXBV-HOCLYGCPSA-N -1 3 396.274 3.582 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnn(CCC(F)(F)F)c1 ZINC000543256399 859049903 /nfs/dbraw/zinc/04/99/03/859049903.db2.gz HZHTVFXUZCFVJH-UHFFFAOYSA-N -1 3 378.148 3.556 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@](C)(OC)c2ccccc2)[nH][n-]1 ZINC000483003813 859064634 /nfs/dbraw/zinc/06/46/34/859064634.db2.gz JSLNGKIFJLRQRN-FQEVSTJZSA-N -1 3 385.851 3.661 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000483039046 859092224 /nfs/dbraw/zinc/09/22/24/859092224.db2.gz IRGLPKJNJURATG-UHFFFAOYSA-N -1 3 393.237 3.653 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C ZINC000185613978 859102925 /nfs/dbraw/zinc/10/29/25/859102925.db2.gz KCVGCLMHXZGEMU-MDZLAQPJSA-N -1 3 377.282 3.845 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1(Cc2ccccc2)CC1 ZINC000185678619 859115919 /nfs/dbraw/zinc/11/59/19/859115919.db2.gz KTYAKANCKKYSEF-UHFFFAOYSA-N -1 3 375.266 3.729 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCO[C@H](C)c3ccccc3)nc2)n1 ZINC000068661024 859136632 /nfs/dbraw/zinc/13/66/32/859136632.db2.gz MQSMANKYIWONPX-MRXNPFEDSA-N -1 3 378.476 3.974 20 0 GHADHM CC(=O)N(Cc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1)C1CC1 ZINC000483111176 859154737 /nfs/dbraw/zinc/15/47/37/859154737.db2.gz DNFXQFHEEKEPJL-UHFFFAOYSA-N -1 3 389.455 3.600 20 0 GHADHM CC1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000152646360 859163606 /nfs/dbraw/zinc/16/36/06/859163606.db2.gz RTDGEZNJTTWJRC-UHFFFAOYSA-N -1 3 393.484 3.607 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000483186849 859214693 /nfs/dbraw/zinc/21/46/93/859214693.db2.gz SDPHYSXPRXEYOC-OAHLLOKOSA-N -1 3 393.344 3.551 20 0 GHADHM COC(=O)CCCCCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000760595427 859283348 /nfs/dbraw/zinc/28/33/48/859283348.db2.gz IGRGFXJGIFIVIQ-UHFFFAOYSA-N -1 3 385.457 3.672 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509395434 859305165 /nfs/dbraw/zinc/30/51/65/859305165.db2.gz BCJJMEZEHMFCTI-UHFFFAOYSA-N -1 3 386.395 3.941 20 0 GHADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)NCc1ccc(F)cc1F ZINC000466406495 859367939 /nfs/dbraw/zinc/36/79/39/859367939.db2.gz XMXPVUDOKCNUIS-UHFFFAOYSA-N -1 3 385.395 3.687 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597251328 859395627 /nfs/dbraw/zinc/39/56/27/859395627.db2.gz BTEWBAJUFQWNSA-UHFFFAOYSA-N -1 3 383.473 3.933 20 0 GHADHM Cc1cn2c(n1)C[C@H](C(=O)N=c1cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]1)CC2 ZINC000626053220 859420601 /nfs/dbraw/zinc/42/06/01/859420601.db2.gz RZIFYQCRWAPFLA-LLVKDONJSA-N -1 3 390.274 3.511 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)sc1Br ZINC000466740520 859427745 /nfs/dbraw/zinc/42/77/45/859427745.db2.gz CLOIUORHRLKCGV-UHFFFAOYSA-N -1 3 385.308 3.779 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000155892634 859470726 /nfs/dbraw/zinc/47/07/26/859470726.db2.gz RVIBRSLSPAJDNN-HONMWMINSA-N -1 3 395.830 3.595 20 0 GHADHM O=C(c1cc2ccccc2cc1[O-])N(CCn1ccnc1)C1CCSCC1 ZINC000673470618 859478627 /nfs/dbraw/zinc/47/86/27/859478627.db2.gz BIFQCJOBSGZBGN-UHFFFAOYSA-N -1 3 381.501 3.780 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)n1 ZINC000673473391 859482857 /nfs/dbraw/zinc/48/28/57/859482857.db2.gz UGNRAMJRNFJALJ-UHFFFAOYSA-N -1 3 395.387 3.695 20 0 GHADHM Cc1cc2cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])oc2cc1C ZINC000673504766 859613638 /nfs/dbraw/zinc/61/36/38/859613638.db2.gz RILLMJZLBMCKHO-UONOGXRCSA-N -1 3 381.432 3.543 20 0 GHADHM CCOc1c(Br)cc(Cl)cc1[N-]C(=O)c1cc(OC)no1 ZINC000543409188 859618987 /nfs/dbraw/zinc/61/89/87/859618987.db2.gz JGZYWUSHZSDZDY-UHFFFAOYSA-N -1 3 375.606 3.750 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2cc(I)ccc2[O-])c1F ZINC000611237020 859659138 /nfs/dbraw/zinc/65/91/38/859659138.db2.gz OARZEBQJOGWRQM-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000126028787 859703211 /nfs/dbraw/zinc/70/32/11/859703211.db2.gz UEPHKVNEOLSLLN-UHFFFAOYSA-N -1 3 398.278 3.589 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(F)c([C@@H](C)O)c3)cc2)cc(=O)[n-]1 ZINC000796649739 859764751 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Cc1nn(-c2ccccn2)c(Cl)c1CN[C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000904023056 860034840 /nfs/dbraw/zinc/03/48/40/860034840.db2.gz GAWNBADMCRLEQZ-HIFRSBDPSA-N -1 3 376.888 3.598 20 0 GHADHM CC(C)N(Cc1cccc(Br)c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436552203 860052093 /nfs/dbraw/zinc/05/20/93/860052093.db2.gz CLRZNXSBOOGCJW-UHFFFAOYSA-N -1 3 392.249 3.934 20 0 GHADHM CC(C)CCC[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000904036409 860053579 /nfs/dbraw/zinc/05/35/79/860053579.db2.gz LXBFDRFISNKRQE-ZDUSSCGKSA-N -1 3 393.240 3.799 20 0 GHADHM O=C(NCCOc1ncccc1C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000525925697 860134842 /nfs/dbraw/zinc/13/48/42/860134842.db2.gz VUDQLGWNZHCXSF-UHFFFAOYSA-N -1 3 376.334 3.768 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1Oc1ccccc1 ZINC000525927621 860135692 /nfs/dbraw/zinc/13/56/92/860135692.db2.gz HXYWETLCONPVLH-KSEOMHKRSA-N -1 3 377.440 3.900 20 0 GHADHM O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc([O-])c2ccccc2c1 ZINC000526875114 860161499 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3.552 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000436564287 860364465 /nfs/dbraw/zinc/36/44/65/860364465.db2.gz ROFMXSYTFMKVDS-AWEZNQCLSA-N -1 3 390.233 3.861 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3cc4c(cc3[O-])OCO4)cc2)cs1 ZINC000436621779 860450976 /nfs/dbraw/zinc/45/09/76/860450976.db2.gz DZYHXTYUXVZCQX-UHFFFAOYSA-N -1 3 382.441 3.525 20 0 GHADHM Cc1cc(OCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(C)C ZINC000060986701 860501601 /nfs/dbraw/zinc/50/16/01/860501601.db2.gz XPKJVRJOUXEJRT-UHFFFAOYSA-N -1 3 396.487 3.850 20 0 GHADHM O=c1[n-]nc(SCc2coc(-c3cccc(F)c3)n2)n1CCc1ccccc1 ZINC000026041769 860577702 /nfs/dbraw/zinc/57/77/02/860577702.db2.gz KRLUXFMOGRTMNR-UHFFFAOYSA-N -1 3 396.447 3.901 20 0 GHADHM CC1(C)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1OCc1ccccc1 ZINC000474674758 860611984 /nfs/dbraw/zinc/61/19/84/860611984.db2.gz BKCJOBSWOOGOIW-NHCUHLMSSA-N -1 3 376.456 3.642 20 0 GHADHM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000920040008 881559468 /nfs/dbraw/zinc/55/94/68/881559468.db2.gz MXAMLQGTQQKGSV-BHIYHBOVSA-N -1 3 386.536 3.966 20 0 GHADHM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000920040013 881560101 /nfs/dbraw/zinc/56/01/01/881560101.db2.gz MXAMLQGTQQKGSV-UHOSZYNNSA-N -1 3 386.536 3.966 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000156442394 860787640 /nfs/dbraw/zinc/78/76/40/860787640.db2.gz ARLQKLLYZFQXFI-ZDUSSCGKSA-N -1 3 376.428 3.889 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000625058666 860796147 /nfs/dbraw/zinc/79/61/47/860796147.db2.gz CEEJZDWAWBZNTF-UHFFFAOYSA-N -1 3 389.493 3.696 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1)c1c(Cl)cccc1Br ZINC000380023208 860933389 /nfs/dbraw/zinc/93/33/89/860933389.db2.gz UNXJYJBEBVYGQM-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000494368726 881597801 /nfs/dbraw/zinc/59/78/01/881597801.db2.gz MTXZKANRUOUNBL-QMMMGPOBSA-N -1 3 392.212 3.988 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)c1F ZINC000625120665 860971542 /nfs/dbraw/zinc/97/15/42/860971542.db2.gz YCMSPCNXCCXGTO-GJZGRUSLSA-N -1 3 385.407 3.611 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)ccc1C(F)(F)F ZINC000329060500 860982973 /nfs/dbraw/zinc/98/29/73/860982973.db2.gz JJDKZHBUAHUJES-CYZMBNFOSA-N -1 3 383.819 3.595 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cc(C)ccc2Cl)o1 ZINC000186671153 860990525 /nfs/dbraw/zinc/99/05/25/860990525.db2.gz GSMYNKRZINLSLP-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM Cc1ccc(-c2nnc(COC(=O)c3cccc(Br)c3[O-])o2)cc1 ZINC000730363956 861072511 /nfs/dbraw/zinc/07/25/11/861072511.db2.gz HFERGOXZMADMNP-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(C(C)C)oc3C)c2)[n-]1 ZINC000557040396 881612348 /nfs/dbraw/zinc/61/23/48/881612348.db2.gz ONBQCEXIERTCKA-UHFFFAOYSA-N -1 3 396.447 3.603 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(C(C)C)oc3C)c2)n[n-]1 ZINC000557040396 881612354 /nfs/dbraw/zinc/61/23/54/881612354.db2.gz ONBQCEXIERTCKA-UHFFFAOYSA-N -1 3 396.447 3.603 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1 ZINC000623489420 861113881 /nfs/dbraw/zinc/11/38/81/861113881.db2.gz WUXVTIMINCUXHQ-UHFFFAOYSA-N -1 3 375.490 3.920 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000625211199 861155877 /nfs/dbraw/zinc/15/58/77/861155877.db2.gz MNLACGZIKHKIHJ-MRXNPFEDSA-N -1 3 394.471 3.687 20 0 GHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000625214253 861174153 /nfs/dbraw/zinc/17/41/53/861174153.db2.gz ZYJXQQQRJMWWDE-UHFFFAOYSA-N -1 3 390.196 3.517 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000605496451 863115482 /nfs/dbraw/zinc/11/54/82/863115482.db2.gz RBMPJZBXIDNBLA-UHFFFAOYSA-N -1 3 387.505 3.896 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)c(C)c1 ZINC000605496150 863116982 /nfs/dbraw/zinc/11/69/82/863116982.db2.gz JFGPFJSPVYJYJM-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC=CCC3)c2)cc1 ZINC000605565742 863151336 /nfs/dbraw/zinc/15/13/36/863151336.db2.gz BRPQCWZUVBAHCL-KRWDZBQOSA-N -1 3 384.501 3.943 20 0 GHADHM COc1ccc(COCCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)cc1 ZINC000605884566 863264582 /nfs/dbraw/zinc/26/45/82/863264582.db2.gz YTCXIFQNKSMTRR-UHFFFAOYSA-N -1 3 379.460 3.669 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000624247776 863270261 /nfs/dbraw/zinc/27/02/61/863270261.db2.gz FRWJIHAATXCEJZ-UHFFFAOYSA-N -1 3 391.818 3.567 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605896316 863275177 /nfs/dbraw/zinc/27/51/77/863275177.db2.gz DDOGKJOPHLZJBN-MDYRTPRTSA-N -1 3 396.462 3.541 20 0 GHADHM CC(C)(C)OCCOC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000144120139 863312395 /nfs/dbraw/zinc/31/23/95/863312395.db2.gz VUXDLIYTYUSTCO-LJQANCHMSA-N -1 3 385.460 3.612 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N2CCc3sccc3[C@@H]2CC)n1 ZINC000182771407 863351510 /nfs/dbraw/zinc/35/15/10/863351510.db2.gz QXMKSOVZKSICMK-AWEZNQCLSA-N -1 3 377.535 3.575 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281776917 863370750 /nfs/dbraw/zinc/37/07/50/863370750.db2.gz RGFYMDMNSHWATM-OAHLLOKOSA-N -1 3 384.442 3.563 20 0 GHADHM COc1cc(C(=O)[N-]c2ccnc(Oc3ccccc3Br)c2)on1 ZINC000182869165 863385816 /nfs/dbraw/zinc/38/58/16/863385816.db2.gz DKHRHXGKWCDVTA-UHFFFAOYSA-N -1 3 390.193 3.885 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1CC ZINC000160198003 863404977 /nfs/dbraw/zinc/40/49/77/863404977.db2.gz SWPDJEDOHVPPLS-XMMPIXPASA-N -1 3 379.547 3.799 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000132743372 881695611 /nfs/dbraw/zinc/69/56/11/881695611.db2.gz GSYNPSDDXOBVRU-QWRGUYRKSA-N -1 3 378.310 3.706 20 0 GHADHM CC(C)c1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000172675472 863846445 /nfs/dbraw/zinc/84/64/45/863846445.db2.gz OHDWRHYDLNNEPS-UHFFFAOYSA-N -1 3 399.513 3.735 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)c1C ZINC000606826544 863859826 /nfs/dbraw/zinc/85/98/26/863859826.db2.gz IBQPLEQNYIYNAR-LJQANCHMSA-N -1 3 375.490 3.889 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000614729905 863886023 /nfs/dbraw/zinc/88/60/23/863886023.db2.gz SVKJBKYRMZXORM-UHFFFAOYSA-N -1 3 377.462 3.684 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3OCC3CC3)nc2)n1 ZINC000606896626 863896708 /nfs/dbraw/zinc/89/67/08/863896708.db2.gz OMKHCSDBWGBBHW-UHFFFAOYSA-N -1 3 376.460 3.629 20 0 GHADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)ccc21 ZINC000103187638 863906431 /nfs/dbraw/zinc/90/64/31/863906431.db2.gz HPFBEZQQSSLRAQ-UHFFFAOYSA-N -1 3 379.420 3.535 20 0 GHADHM CSCCCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000522995851 863911475 /nfs/dbraw/zinc/91/14/75/863911475.db2.gz NLHRVAFNCVKWOR-UHFFFAOYSA-N -1 3 388.718 3.996 20 0 GHADHM COc1ccc(-c2noc(CO[N-]C(=O)CCC3CCCCC3)n2)c(OC)c1 ZINC000733998487 863933716 /nfs/dbraw/zinc/93/37/16/863933716.db2.gz ZQNHDMZCEDMMAU-UHFFFAOYSA-N -1 3 389.452 3.662 20 0 GHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000042415380 863966182 /nfs/dbraw/zinc/96/61/82/863966182.db2.gz OXUUQSLVYFNNAH-IUCAKERBSA-N -1 3 399.148 3.925 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000120720766 881742070 /nfs/dbraw/zinc/74/20/70/881742070.db2.gz OPQJUHMVICHRAU-MRXNPFEDSA-N -1 3 389.381 3.942 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000120720766 881742083 /nfs/dbraw/zinc/74/20/83/881742083.db2.gz OPQJUHMVICHRAU-MRXNPFEDSA-N -1 3 389.381 3.942 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NC1(c2cccc(Br)c2)CCC1 ZINC000554412738 864284259 /nfs/dbraw/zinc/28/42/59/864284259.db2.gz MFEMBHOLKGXQHE-UHFFFAOYSA-N -1 3 385.265 3.720 20 0 GHADHM CC(C)(C)[C@@H]1CCc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000480257629 864341148 /nfs/dbraw/zinc/34/11/48/864341148.db2.gz CVVCWRRYTXPXQQ-SNVBAGLBSA-N -1 3 382.507 3.543 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(C)n(C3CCOCC3)c2C)[nH][n-]1 ZINC000621776730 864419181 /nfs/dbraw/zinc/41/91/81/864419181.db2.gz USOIMGAUGVIDMG-UHFFFAOYSA-N -1 3 394.475 3.529 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480328121 864506656 /nfs/dbraw/zinc/50/66/56/864506656.db2.gz AZJLPFMZOMDBDF-UHFFFAOYSA-N -1 3 377.754 3.587 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000189251124 881775431 /nfs/dbraw/zinc/77/54/31/881775431.db2.gz OHFQVNIBAFGWCN-UHFFFAOYSA-N -1 3 381.379 3.778 20 0 GHADHM COc1cccc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1OC(F)F ZINC000734969959 864551291 /nfs/dbraw/zinc/55/12/91/864551291.db2.gz NUASOXHFIGGSER-UHFFFAOYSA-N -1 3 378.331 3.945 20 0 GHADHM COc1cccc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1OC(F)F ZINC000734969959 864551307 /nfs/dbraw/zinc/55/13/07/864551307.db2.gz NUASOXHFIGGSER-UHFFFAOYSA-N -1 3 378.331 3.945 20 0 GHADHM Cc1cc(Br)cc(C)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480369943 864576951 /nfs/dbraw/zinc/57/69/51/864576951.db2.gz DDKHRMDKRUDECE-UHFFFAOYSA-N -1 3 392.179 3.525 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000621915661 864593568 /nfs/dbraw/zinc/59/35/68/864593568.db2.gz JKQOJCFRXCZPKR-QGZVFWFLSA-N -1 3 379.378 3.885 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCN(c4ccc(F)cc4C)C3=O)n[n-]2)o1 ZINC000735346262 864763357 /nfs/dbraw/zinc/76/33/57/864763357.db2.gz QOYJXZYSKRQUID-LJQANCHMSA-N -1 3 397.406 3.778 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCN(c4ccc(F)cc4C)C3=O)[n-]n2)o1 ZINC000735346262 864763371 /nfs/dbraw/zinc/76/33/71/864763371.db2.gz QOYJXZYSKRQUID-LJQANCHMSA-N -1 3 397.406 3.778 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]1n1cccn1 ZINC000622094120 864770681 /nfs/dbraw/zinc/77/06/81/864770681.db2.gz CHRJISUBGNTIPE-XHSDSOJGSA-N -1 3 397.397 3.535 20 0 GHADHM [O-]c1cccnc1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000475348157 864826530 /nfs/dbraw/zinc/82/65/30/864826530.db2.gz BUPPNFHTCWLYJH-UHFFFAOYSA-N -1 3 376.279 3.963 20 0 GHADHM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000622192163 864844865 /nfs/dbraw/zinc/84/48/65/864844865.db2.gz NLIHFZONTLJJIJ-UHFFFAOYSA-N -1 3 377.366 3.888 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1N1CCOC1=O ZINC000173577476 864888803 /nfs/dbraw/zinc/88/88/03/864888803.db2.gz RXUVTJPEQSEHHL-UHFFFAOYSA-N -1 3 388.489 3.986 20 0 GHADHM Cc1c(NC(=O)c2nnc3ccccc3c2[O-])cnc(Cl)c1Br ZINC000760111875 864923161 /nfs/dbraw/zinc/92/31/61/864923161.db2.gz AFEGGJCVYVTEPV-UHFFFAOYSA-N -1 3 393.628 3.707 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000017167328 864924184 /nfs/dbraw/zinc/92/41/84/864924184.db2.gz PWEQCRURFDHGMS-GJZGRUSLSA-N -1 3 390.480 3.745 20 0 GHADHM Cc1cn(-c2ccccc2)[n-]c1=NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000608129714 865045144 /nfs/dbraw/zinc/04/51/44/865045144.db2.gz JHKKNLDFYSMMCB-UHFFFAOYSA-N -1 3 379.489 3.927 20 0 GHADHM CC(C)CN(Cc1cccc(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000856886842 881831474 /nfs/dbraw/zinc/83/14/74/881831474.db2.gz RRAASAIGRMFSNU-UHFFFAOYSA-N -1 3 389.809 3.845 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC4(CCCC4)C3)nc(=O)c2c1C ZINC000173821400 865118642 /nfs/dbraw/zinc/11/86/42/865118642.db2.gz YMBKQLZHVONBPX-CYBMUJFWSA-N -1 3 389.521 3.797 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1nc(C(F)(F)F)cs1 ZINC000173838580 865147052 /nfs/dbraw/zinc/14/70/52/865147052.db2.gz LIMZWSYFUMXFOM-MRVPVSSYSA-N -1 3 385.820 3.640 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCN(c4ccccc4)C3)nc2)n1 ZINC000301276710 865259774 /nfs/dbraw/zinc/25/97/74/865259774.db2.gz JAFODQZIKRJJOS-SFHVURJKSA-N -1 3 375.476 3.888 20 0 GHADHM CC(C)Cc1ccc([C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C(C)C)cc1 ZINC000608420387 865317358 /nfs/dbraw/zinc/31/73/58/865317358.db2.gz SZJHWNYSJWHGIC-JOCHJYFZSA-N -1 3 382.504 3.834 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000480828975 865334525 /nfs/dbraw/zinc/33/45/25/865334525.db2.gz NGBAFLWXFIBCOH-UHFFFAOYSA-N -1 3 380.535 3.685 20 0 GHADHM COc1ccc(Br)cc1SCc1ccccc1-c1nnn[n-]1 ZINC000737065072 865356161 /nfs/dbraw/zinc/35/61/61/865356161.db2.gz HFIJRPSIFKRYGF-UHFFFAOYSA-N -1 3 377.267 3.930 20 0 GHADHM COc1ccc(Br)cc1SCc1ccccc1-c1nn[n-]n1 ZINC000737065072 865356174 /nfs/dbraw/zinc/35/61/74/865356174.db2.gz HFIJRPSIFKRYGF-UHFFFAOYSA-N -1 3 377.267 3.930 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)[n-]1 ZINC000193535777 881873666 /nfs/dbraw/zinc/87/36/66/881873666.db2.gz IPUIGRDHZXBRCQ-UHFFFAOYSA-N -1 3 387.505 3.603 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1COc2ccccc21 ZINC000738171141 865501810 /nfs/dbraw/zinc/50/18/10/865501810.db2.gz CDNGFZKBFAYUOI-IBGZPJMESA-N -1 3 399.410 3.774 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1COc2ccccc21 ZINC000738171141 865501817 /nfs/dbraw/zinc/50/18/17/865501817.db2.gz CDNGFZKBFAYUOI-IBGZPJMESA-N -1 3 399.410 3.774 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc4c3OCCCO4)nc2)n1 ZINC000301755774 865524462 /nfs/dbraw/zinc/52/44/62/865524462.db2.gz KONIYUPOWHBPGZ-UHFFFAOYSA-N -1 3 378.432 3.580 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2cc(OC(F)F)ccc21)c1cccnc1Cl ZINC000738366262 865531538 /nfs/dbraw/zinc/53/15/38/865531538.db2.gz UEHBFFMGGLPTQV-CYBMUJFWSA-N -1 3 388.823 3.692 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)c1nc(-c2ccccc2)cs1 ZINC000738377131 865532543 /nfs/dbraw/zinc/53/25/43/865532543.db2.gz GUHQHRRFYOHNPI-LLVKDONJSA-N -1 3 379.894 3.898 20 0 GHADHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738373323 865532839 /nfs/dbraw/zinc/53/28/39/865532839.db2.gz GLTYVPSYLWOPFG-UHFFFAOYSA-N -1 3 389.304 3.697 20 0 GHADHM Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccc([O-])c(F)c3)cc12 ZINC000738553033 865554577 /nfs/dbraw/zinc/55/45/77/865554577.db2.gz XLWKDFOEJZSYGE-UHFFFAOYSA-N -1 3 376.391 3.504 20 0 GHADHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)nnn1Cc1ccccc1F ZINC000555142820 865573842 /nfs/dbraw/zinc/57/38/42/865573842.db2.gz ZZMWWNWVXUOSBE-UHFFFAOYSA-N -1 3 386.402 3.580 20 0 GHADHM O=C([N-]Cc1ncc(-c2ccccc2)cn1)C(F)(F)c1c(F)cccc1F ZINC000763790702 865608486 /nfs/dbraw/zinc/60/84/86/865608486.db2.gz NBODBGJQIURAAH-UHFFFAOYSA-N -1 3 375.325 3.830 20 0 GHADHM COc1cccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1OC(C)C ZINC000622887858 865678883 /nfs/dbraw/zinc/67/88/83/865678883.db2.gz KFBJWYZMJZIGEJ-UHFFFAOYSA-N -1 3 391.777 3.569 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)cn2)n1 ZINC000622891333 865701535 /nfs/dbraw/zinc/70/15/35/865701535.db2.gz SYLGBTAOSHMWLW-UHFFFAOYSA-N -1 3 392.850 3.602 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cncc(Br)c1 ZINC000622892339 865706519 /nfs/dbraw/zinc/70/65/19/865706519.db2.gz LNHFQWULQJBMII-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000533985895 865792450 /nfs/dbraw/zinc/79/24/50/865792450.db2.gz ZHFNVZAVXIPQSH-SFHVURJKSA-N -1 3 386.879 3.984 20 0 GHADHM CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)N2 ZINC000623018425 865922455 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GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000179655016 866266130 /nfs/dbraw/zinc/26/61/30/866266130.db2.gz BQRVPLQMHNUEMQ-UONOGXRCSA-N -1 3 395.297 3.522 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(I)ccc1F ZINC000534208684 866276843 /nfs/dbraw/zinc/27/68/43/866276843.db2.gz PQNMYSSTZCRYTC-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1C ZINC000121400096 866294532 /nfs/dbraw/zinc/29/45/32/866294532.db2.gz GPPWQPLPSJVUQN-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000534267292 866441166 /nfs/dbraw/zinc/44/11/66/866441166.db2.gz DBPOWQXDERILOB-WMZOPIPTSA-N -1 3 384.480 3.873 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CCC[C@H]1C ZINC000152205516 866463573 /nfs/dbraw/zinc/46/35/73/866463573.db2.gz LNPRQDZTOWQNPH-RDTXWAMCSA-N -1 3 390.480 3.853 20 0 GHADHM CCOc1cc(C)ccc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295590 881979043 /nfs/dbraw/zinc/97/90/43/881979043.db2.gz YHJMLIDVOZZYNJ-UHFFFAOYSA-N -1 3 390.793 3.550 20 0 GHADHM COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CCC(=O)N2C)cc1 ZINC000153479875 866510727 /nfs/dbraw/zinc/51/07/27/866510727.db2.gz DFCYMKVUVSVKFH-BEFAXECRSA-N -1 3 388.851 3.602 20 0 GHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCCc2c1cnn2C ZINC000179940273 866527868 /nfs/dbraw/zinc/52/78/68/866527868.db2.gz MDIYQNVYNPELPR-HXUWFJFHSA-N -1 3 375.472 3.866 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)N=c3cc4ccccn4[n-]3)cs2)cc1 ZINC000553001813 866607500 /nfs/dbraw/zinc/60/75/00/866607500.db2.gz SLCULSFQDAGUHE-UHFFFAOYSA-N -1 3 378.457 3.919 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cnn(-c2ccccc2)c1C(F)F ZINC001127220251 866847926 /nfs/dbraw/zinc/84/79/26/866847926.db2.gz CLJHNROZTWRDMT-UHFFFAOYSA-N -1 3 398.398 3.976 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)s1 ZINC000444535344 866873191 /nfs/dbraw/zinc/87/31/91/866873191.db2.gz UCMXPIQQLIKAMB-VIFPVBQESA-N -1 3 377.263 3.843 20 0 GHADHM Cc1nc(C)c(CC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c(=O)[n-]1 ZINC000478916546 866875849 /nfs/dbraw/zinc/87/58/49/866875849.db2.gz TVOPDOGICLHDDZ-UHFFFAOYSA-N -1 3 394.456 3.528 20 0 GHADHM CC1(C2(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)CC2)CC1 ZINC000456658170 866935123 /nfs/dbraw/zinc/93/51/23/866935123.db2.gz KYYPUHRHCMOTKP-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1[O-] ZINC000456686985 866979465 /nfs/dbraw/zinc/97/94/65/866979465.db2.gz IHEOZOJEFLXBDP-MRXNPFEDSA-N -1 3 381.432 3.653 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(-c4ccsc4)nn3C)c[n-]c12 ZINC000553205535 866991959 /nfs/dbraw/zinc/99/19/59/866991959.db2.gz OOCAQHUTTOYJAN-UHFFFAOYSA-N -1 3 382.420 3.690 20 0 GHADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296246 882042088 /nfs/dbraw/zinc/04/20/88/882042088.db2.gz LFPUFBHFRPMGJX-YUMQZZPRSA-N -1 3 392.731 3.715 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456727647 867070169 /nfs/dbraw/zinc/07/01/69/867070169.db2.gz ZUOSSSBIQOUHHG-LPHOPBHVSA-N -1 3 393.405 3.563 20 0 GHADHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000534604198 867115884 /nfs/dbraw/zinc/11/58/84/867115884.db2.gz GODONEWXAJBEOO-LLVKDONJSA-N -1 3 389.370 3.784 20 0 GHADHM O=C(NC(C1CCC1)C1CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000553286991 867139681 /nfs/dbraw/zinc/13/96/81/867139681.db2.gz USCNKSKBNFOCQG-UHFFFAOYSA-N -1 3 389.293 3.989 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)COc2ccccc2)s1 ZINC000742277593 867164721 /nfs/dbraw/zinc/16/47/21/867164721.db2.gz BODPUTZBBYRUAD-SNVBAGLBSA-N -1 3 390.324 3.565 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1OCC(C)C ZINC000553307148 867169921 /nfs/dbraw/zinc/16/99/21/867169921.db2.gz APVIGYGPMNMACF-CYBMUJFWSA-N -1 3 385.464 3.594 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC2CCCCC2)nc1)c1ccc(F)cc1F ZINC000523365899 867175013 /nfs/dbraw/zinc/17/50/13/867175013.db2.gz FLIHOWXINBNCDF-UHFFFAOYSA-N -1 3 382.432 3.550 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)SC ZINC000742339177 867217238 /nfs/dbraw/zinc/21/72/38/867217238.db2.gz MMRGKUMOMHPDCP-UHFFFAOYSA-N -1 3 384.336 3.788 20 0 GHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000154037362 867217072 /nfs/dbraw/zinc/21/70/72/867217072.db2.gz LRLADKJGMMJNFY-UHFFFAOYSA-N -1 3 388.411 3.756 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000742312219 867220584 /nfs/dbraw/zinc/22/05/84/867220584.db2.gz JVXQUORYOMVNMG-CYBMUJFWSA-N -1 3 395.695 3.708 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2ccccn2)[nH]c1=O ZINC000534701146 867283228 /nfs/dbraw/zinc/28/32/28/867283228.db2.gz RFQCKLQVEQBGGR-UHFFFAOYSA-N -1 3 386.205 3.570 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000742537722 867351145 /nfs/dbraw/zinc/35/11/45/867351145.db2.gz OFVOMYGPAIISCZ-GFCCVEGCSA-N -1 3 399.285 3.883 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000479250109 867422900 /nfs/dbraw/zinc/42/29/00/867422900.db2.gz SVYLCNYNUBUOFV-KRWDZBQOSA-N -1 3 388.533 3.833 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000609068368 867463730 /nfs/dbraw/zinc/46/37/30/867463730.db2.gz FJLVKIJRHGRXKK-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c1 ZINC000154560282 867464899 /nfs/dbraw/zinc/46/48/99/867464899.db2.gz XAEWTAIEOVZPJY-UHFFFAOYSA-N -1 3 375.490 3.970 20 0 GHADHM Cc1cc(Br)c(C(=O)[N-]c2nc(-c3cccnc3)ns2)s1 ZINC001127222800 867476016 /nfs/dbraw/zinc/47/60/16/867476016.db2.gz ZNSHVXBFPUZUBE-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1cccs1 ZINC000553462760 867495259 /nfs/dbraw/zinc/49/52/59/867495259.db2.gz INQUHTDKYDHPOX-CQSZACIVSA-N -1 3 387.552 3.619 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cc(F)ccc1F ZINC000553500887 867584236 /nfs/dbraw/zinc/58/42/36/867584236.db2.gz DGKPPAZAPUQTDS-LBPRGKRZSA-N -1 3 380.338 3.808 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000742802842 867586286 /nfs/dbraw/zinc/58/62/86/867586286.db2.gz NPQGXWDGEYYBRW-PBHICJAKSA-N -1 3 384.517 3.553 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000742802847 867586905 /nfs/dbraw/zinc/58/69/05/867586905.db2.gz NPQGXWDGEYYBRW-YOEHRIQHSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c(F)c1 ZINC000479382141 867661018 /nfs/dbraw/zinc/66/10/18/867661018.db2.gz XLDNPAZIMKSRPS-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccco1 ZINC000445042835 867696161 /nfs/dbraw/zinc/69/61/61/867696161.db2.gz UGICKMXCQBXKRT-NRFANRHFSA-N -1 3 394.452 3.904 20 0 GHADHM CCOC(=O)C(=Cc1cncc(OCC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000857201968 882113074 /nfs/dbraw/zinc/11/30/74/882113074.db2.gz IWKHUTLAYRXTRF-OVCLIPMQSA-N -1 3 399.472 3.911 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743049294 867784409 /nfs/dbraw/zinc/78/44/09/867784409.db2.gz NWJAJVQEESIMIY-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000667493240 867804996 /nfs/dbraw/zinc/80/49/96/867804996.db2.gz NPCUINJKHAOVGI-QGZVFWFLSA-N -1 3 383.488 3.901 20 0 GHADHM CC(C)CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000535001521 867890654 /nfs/dbraw/zinc/89/06/54/867890654.db2.gz JRNKFHHWYAVPHV-UHFFFAOYSA-N -1 3 395.503 3.971 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc2ncsc2c1 ZINC000479499888 867893299 /nfs/dbraw/zinc/89/32/99/867893299.db2.gz UMOAZABQGPRAHR-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM CC(C)(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000535030953 867996355 /nfs/dbraw/zinc/99/63/55/867996355.db2.gz FGCMXRPSXSWPFX-UHFFFAOYSA-N -1 3 376.453 3.545 20 0 GHADHM CC(C)COc1cccc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000793409527 882151240 /nfs/dbraw/zinc/15/12/40/882151240.db2.gz ISUFJCHGXFRKOR-UHFFFAOYSA-N -1 3 395.452 3.589 20 0 GHADHM Cc1ccc(-n2c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nnc2N2CCCC2)cc1 ZINC000155912925 868180365 /nfs/dbraw/zinc/18/03/65/868180365.db2.gz RPDRXCWUVAEIGP-OAHLLOKOSA-N -1 3 396.520 3.833 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000857279950 882166923 /nfs/dbraw/zinc/16/69/23/882166923.db2.gz GMFYGFIRIRXNRL-WBMJQRKESA-N -1 3 385.382 3.559 20 0 GHADHM Cc1ncc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(C)c1Br ZINC000928742497 868281401 /nfs/dbraw/zinc/28/14/01/868281401.db2.gz NPKIWYKODIUMQK-UHFFFAOYSA-N -1 3 393.285 3.815 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccnc1C(F)(F)F ZINC000553881294 868418904 /nfs/dbraw/zinc/41/89/04/868418904.db2.gz MXBVHCWRBLPDJY-TZMCWYRMSA-N -1 3 388.386 3.854 20 0 GHADHM Cc1ccc(F)c(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000445452185 868484073 /nfs/dbraw/zinc/48/40/73/868484073.db2.gz AKJFKAZRLHZULL-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000448571995 868559916 /nfs/dbraw/zinc/55/99/16/868559916.db2.gz ZCIJQSQWBKNHKW-UHFFFAOYSA-N -1 3 380.423 3.697 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1n[nH]c2ccc(Br)cc21 ZINC000479838866 868589450 /nfs/dbraw/zinc/58/94/50/868589450.db2.gz QMWJULGANQUKNN-UHFFFAOYSA-N -1 3 383.205 3.655 20 0 GHADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1C ZINC000524148858 868603181 /nfs/dbraw/zinc/60/31/81/868603181.db2.gz OSVBROALPUAIRC-UHFFFAOYSA-N -1 3 395.834 3.671 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nc2ccccc2nc1C1CC1 ZINC000648431274 882209106 /nfs/dbraw/zinc/20/91/06/882209106.db2.gz PCTPWBLVGMWFBA-UHFFFAOYSA-N -1 3 395.772 3.594 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H](C)NC(=O)C3CCCCC3)c2)n1 ZINC000744217815 868672718 /nfs/dbraw/zinc/67/27/18/868672718.db2.gz ZGDIDNIFHVFFFV-HNNXBMFYSA-N -1 3 397.475 3.538 20 0 GHADHM COc1nc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc2ccccc21 ZINC000744218658 868674271 /nfs/dbraw/zinc/67/42/71/868674271.db2.gz PSAZPGJQWYQGCY-UHFFFAOYSA-N -1 3 387.395 3.934 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)sc1Br ZINC000554180972 868868440 /nfs/dbraw/zinc/86/84/40/868868440.db2.gz HILRFNCYCIZKHZ-NEPJUHHUSA-N -1 3 396.372 3.691 20 0 GHADHM CC(C)SCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000609077463 868881060 /nfs/dbraw/zinc/88/10/60/868881060.db2.gz PSYWSGZZFJXOKY-UHFFFAOYSA-N -1 3 388.718 3.995 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000190719799 882253007 /nfs/dbraw/zinc/25/30/07/882253007.db2.gz RMZVMJUHLIZHAP-UHFFFAOYSA-N -1 3 379.331 3.576 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2csc(CCC(C)C)n2)c([O-])c1 ZINC000744922398 869180951 /nfs/dbraw/zinc/18/09/51/869180951.db2.gz ORGYTVGUAWJYIR-UHFFFAOYSA-N -1 3 390.505 3.609 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1sc(C)cc1Br)c1nccs1 ZINC000462349217 869277056 /nfs/dbraw/zinc/27/70/56/869277056.db2.gz QTDFCAKARPIWGJ-LBPRGKRZSA-N -1 3 395.369 3.879 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1F ZINC000462380789 869328222 /nfs/dbraw/zinc/32/82/22/869328222.db2.gz QYVFZRZCPWKYQW-AWEZNQCLSA-N -1 3 392.496 3.995 20 0 GHADHM C/C(=C\C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1C(F)(F)F ZINC000745274042 869433626 /nfs/dbraw/zinc/43/36/26/869433626.db2.gz RYBVGRFJJKSXJN-PKNBQFBNSA-N -1 3 397.374 3.670 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)ccc2C)c1 ZINC000524745055 869517882 /nfs/dbraw/zinc/51/78/82/869517882.db2.gz ZNKRBFHROFTOHU-UHFFFAOYSA-N -1 3 391.427 3.565 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)[nH]c(=O)n4C)nc(=O)c2c1C ZINC000920700449 882317315 /nfs/dbraw/zinc/31/73/15/882317315.db2.gz YZQKKZMFGKCGIV-SECBINFHSA-N -1 3 398.444 3.524 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2csc(CCC(C)C)n2)cc1[O-] ZINC000745652223 869719809 /nfs/dbraw/zinc/71/98/09/869719809.db2.gz FFUDPGMKNILPNL-UHFFFAOYSA-N -1 3 378.450 3.973 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@H](C)CC ZINC000462591780 869723369 /nfs/dbraw/zinc/72/33/69/869723369.db2.gz ORHQLJZLYHTOCA-NOZJJQNGSA-N -1 3 382.309 3.558 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCSCC(F)(F)F)c1Cl ZINC000539859954 869908228 /nfs/dbraw/zinc/90/82/28/869908228.db2.gz AIVCXWBYQRETHB-UHFFFAOYSA-N -1 3 382.256 3.876 20 0 GHADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000121965006 882355279 /nfs/dbraw/zinc/35/52/79/882355279.db2.gz IFYHMZBZMPXDPQ-QGZVFWFLSA-N -1 3 378.432 3.622 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)c(C)c1 ZINC000525238798 870232082 /nfs/dbraw/zinc/23/20/82/870232082.db2.gz HRDMQUHOFVMUOM-UHFFFAOYSA-N -1 3 375.490 3.988 20 0 GHADHM O=S(=O)([N-][C@H]1C=CCC1)c1csc(-c2cccc(Br)c2)n1 ZINC001192264710 870248680 /nfs/dbraw/zinc/24/86/80/870248680.db2.gz JETZRVBNIMKAEY-LBPRGKRZSA-N -1 3 385.308 3.570 20 0 GHADHM O=C([N-]c1cc(F)cc(Br)c1)c1nc(Cc2ccccc2)no1 ZINC001192269609 870252643 /nfs/dbraw/zinc/25/26/43/870252643.db2.gz DXCJYDJHAMOCDS-UHFFFAOYSA-N -1 3 376.185 3.814 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(F)c(Cl)cc3F)c2)o1 ZINC001192278818 870260275 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CSc1nc(Cl)c(C(=O)[N-]c2cc3ccccc3oc2=O)c(Cl)n1 ZINC001192618200 870566295 /nfs/dbraw/zinc/56/62/95/870566295.db2.gz KVXQRZGGWILLLU-UHFFFAOYSA-N -1 3 382.228 3.864 20 0 GHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)ccc12 ZINC000538755420 870576327 /nfs/dbraw/zinc/57/63/27/870576327.db2.gz SUFNWWJASAIEDW-UHFFFAOYSA-N -1 3 386.477 3.657 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)COCc1ccccc1 ZINC000390372846 870623762 /nfs/dbraw/zinc/62/37/62/870623762.db2.gz KZIWXRFYVYLFFM-GFCCVEGCSA-N -1 3 389.304 3.520 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461634669 870630486 /nfs/dbraw/zinc/63/04/86/870630486.db2.gz YALUVUVWHMSOBQ-CQSZACIVSA-N -1 3 381.476 3.838 20 0 GHADHM O=C([C@H]1COc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737793585 870662704 /nfs/dbraw/zinc/66/27/04/870662704.db2.gz YBKPXNXYNNDEQC-IBGZPJMESA-N -1 3 397.438 3.576 20 0 GHADHM O=C([C@H]1COc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737793585 870662713 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GHADHM COc1cc(C(=O)Nc2ccc(F)c([O-])c2)c(NC(=O)OC(C)(C)C)cn1 ZINC001192955747 870784071 /nfs/dbraw/zinc/78/40/71/870784071.db2.gz YYIUELWUTFPESE-UHFFFAOYSA-N -1 3 377.372 3.534 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)cc2)n1 ZINC000174283825 882443754 /nfs/dbraw/zinc/44/37/54/882443754.db2.gz YAOLLIRPRNNIAR-CYBMUJFWSA-N -1 3 393.418 3.732 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2Br)c([O-])c1 ZINC000133798917 882444091 /nfs/dbraw/zinc/44/40/91/882444091.db2.gz IRWKONDIULLKFX-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM O=C(N[C@H]1CC12CCCCC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000538893617 870821052 /nfs/dbraw/zinc/82/10/52/870821052.db2.gz WBBTUUYTYJQXRO-INIZCTEOSA-N -1 3 375.266 3.743 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOc3cccnc3)c2)n1 ZINC000463114158 870914786 /nfs/dbraw/zinc/91/47/86/870914786.db2.gz RIIVXEXHGJMWMN-UHFFFAOYSA-N -1 3 378.432 3.604 20 0 GHADHM CCN(Cc1nnc(C2CCC2)n1C)Cc1cc(Br)ccc1[O-] ZINC000181404262 870980432 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Cc1c(C(=O)Nc2cc(=O)[n-]c(C)n2)c(-c2ccccc2)nn1-c1ccccc1 ZINC001193540097 871138527 /nfs/dbraw/zinc/13/85/27/871138527.db2.gz JMFLFPJVLVKQRI-UHFFFAOYSA-N -1 3 385.427 3.904 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000766584161 871190729 /nfs/dbraw/zinc/19/07/29/871190729.db2.gz IDVJZRUJAAHSHA-UHFFFAOYSA-N -1 3 376.409 3.569 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N(Cc1c[nH]cn1)Cc1ccccc1 ZINC001193745345 871249340 /nfs/dbraw/zinc/24/93/40/871249340.db2.gz HEEQMZOVAIKQJL-UHFFFAOYSA-N -1 3 375.350 3.977 20 0 GHADHM O=C(Nc1ncnc2c1cnn2-c1ccccc1)c1ccc([O-])cc1C(F)(F)F ZINC001193734220 871251563 /nfs/dbraw/zinc/25/15/63/871251563.db2.gz SGGHVBSADCEMLB-UHFFFAOYSA-N -1 3 399.332 3.792 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000447257207 871271983 /nfs/dbraw/zinc/27/19/83/871271983.db2.gz NTBVUDAKBHAQMU-UHFFFAOYSA-N -1 3 391.493 3.644 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OC3CCCC3)C2)c2ccccc12 ZINC000775601238 871277699 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C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1cc2cnccc2o1 ZINC001194028216 871441556 /nfs/dbraw/zinc/44/15/56/871441556.db2.gz NGKCHKOMZPBGET-VIFPVBQESA-N -1 3 399.241 3.769 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCOC1 ZINC001194060135 871469622 /nfs/dbraw/zinc/46/96/22/871469622.db2.gz KUCBVXCFCMASLQ-GWCFXTLKSA-N -1 3 396.734 3.586 20 0 GHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000776960231 882518707 /nfs/dbraw/zinc/51/87/07/882518707.db2.gz CIIFULSVXRZCEI-UHFFFAOYSA-N -1 3 391.243 3.831 20 0 GHADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(SC)ccc2[O-])c1 ZINC000667219139 871532584 /nfs/dbraw/zinc/53/25/84/871532584.db2.gz QUXZVFINNKOBOJ-QGZVFWFLSA-N -1 3 387.501 3.944 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC(C)(C)F ZINC000618403628 871597873 /nfs/dbraw/zinc/59/78/73/871597873.db2.gz PDMFBXLQJZZDJN-UHFFFAOYSA-N -1 3 396.459 3.803 20 0 GHADHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1Br ZINC000447482284 871659774 /nfs/dbraw/zinc/65/97/74/871659774.db2.gz YVGSJISZKGQFSN-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000618537529 871706906 /nfs/dbraw/zinc/70/69/06/871706906.db2.gz IAPGDZUGKJZNME-INIZCTEOSA-N -1 3 393.270 3.620 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cc(F)ccc1N1CCCC1 ZINC001194438410 871719293 /nfs/dbraw/zinc/71/92/93/871719293.db2.gz OJRBHSNXSABPHP-UHFFFAOYSA-N -1 3 380.217 3.541 20 0 GHADHM COc1ccc(OC(=O)Nc2ccc([O-])c(I)c2)cc1 ZINC001194533108 871773712 /nfs/dbraw/zinc/77/37/12/871773712.db2.gz MALSWSGBFZQQMO-UHFFFAOYSA-N -1 3 385.157 3.616 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000462182480 871783194 /nfs/dbraw/zinc/78/31/94/871783194.db2.gz OYPMVNUXXDYWDU-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC001194638687 871845110 /nfs/dbraw/zinc/84/51/10/871845110.db2.gz LMLADDJSHCOGQV-UHFFFAOYSA-N -1 3 387.242 3.709 20 0 GHADHM O=S(=O)([N-]CC1(C2(O)CCC2)CCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001194699789 871872020 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GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000540723303 872004330 /nfs/dbraw/zinc/00/43/30/872004330.db2.gz KSSBVVQXSJQOMR-MSOLQXFVSA-N -1 3 384.480 3.873 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](c1nccn1C)C1CC1 ZINC000552108091 872030109 /nfs/dbraw/zinc/03/01/09/872030109.db2.gz UKWOGFKABYEZTQ-OAHLLOKOSA-N -1 3 379.869 3.558 20 0 GHADHM COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000463580508 872066475 /nfs/dbraw/zinc/06/64/75/872066475.db2.gz XETFFUOEUKZYNH-UHFFFAOYSA-N -1 3 398.488 3.644 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2-c2ccncc2)cc1F ZINC001194981062 872084113 /nfs/dbraw/zinc/08/41/13/872084113.db2.gz BWIKUBPLSFKCRT-UHFFFAOYSA-N -1 3 385.420 3.512 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000857836683 882578474 /nfs/dbraw/zinc/57/84/74/882578474.db2.gz HIKPZSLDSPWDMU-UHFFFAOYSA-N -1 3 392.499 3.723 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC001195004942 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390.237 3.753 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(C(C)(C)C)nn1-c1ccccc1OC ZINC001195458048 872402372 /nfs/dbraw/zinc/40/23/72/872402372.db2.gz KWZMAHMJHYBASK-UHFFFAOYSA-N -1 3 376.482 3.621 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(C(C)(C)C)nn1-c1ccccc1OC ZINC001195458048 872402383 /nfs/dbraw/zinc/40/23/83/872402383.db2.gz KWZMAHMJHYBASK-UHFFFAOYSA-N -1 3 376.482 3.621 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(OCc3ccccc3)ccc2F)cn1 ZINC001195724961 872576352 /nfs/dbraw/zinc/57/63/52/872576352.db2.gz IVKLFLVSFXWZPP-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccnc2SCC2CCCCC2)[n-]1 ZINC000619446558 872635377 /nfs/dbraw/zinc/63/53/77/872635377.db2.gz OBQGYSRKALQJHK-UHFFFAOYSA-N -1 3 388.493 3.906 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccnc2SCC2CCCCC2)c[n-]1 ZINC000619446558 872635389 /nfs/dbraw/zinc/63/53/89/872635389.db2.gz OBQGYSRKALQJHK-UHFFFAOYSA-N -1 3 388.493 3.906 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667304037 872639741 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Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nnnc3C(C)C)c(C)c2)c(C)c1 ZINC000541306186 873329072 /nfs/dbraw/zinc/32/90/72/873329072.db2.gz DVTIQMJANJGTIQ-UHFFFAOYSA-N -1 3 385.493 3.512 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(O)cc2)c1 ZINC001196793322 873363601 /nfs/dbraw/zinc/36/36/01/873363601.db2.gz UQWCRLAQVBONKE-HXUWFJFHSA-N -1 3 387.432 3.608 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000464200653 873388572 /nfs/dbraw/zinc/38/85/72/873388572.db2.gz WDWYBUIGOCWAJF-UHFFFAOYSA-N -1 3 378.664 3.808 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1Cl ZINC000464208448 873401539 /nfs/dbraw/zinc/40/15/39/873401539.db2.gz RQEFNIQGZSYRGK-UHFFFAOYSA-N -1 3 395.761 3.659 20 0 GHADHM CCNC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1C ZINC000448467557 873425531 /nfs/dbraw/zinc/42/55/31/873425531.db2.gz RCKFYFBGSVQFAG-UHFFFAOYSA-N -1 3 378.432 3.539 20 0 GHADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc([O-])cc(Br)c1 ZINC000527679357 873425953 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O=S(=O)(Cc1c(F)cccc1F)[N-]c1ncc(C(F)(F)F)cc1Cl ZINC001197556628 873897376 /nfs/dbraw/zinc/89/73/76/873897376.db2.gz QMBGPVVXFBYYAY-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM [O-]c1ccc(NC(=S)Nc2cccc(F)c2)cc1I ZINC001197641114 873940882 /nfs/dbraw/zinc/94/08/82/873940882.db2.gz PINJCFVQTUYSIH-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197672557 873960976 /nfs/dbraw/zinc/96/09/76/873960976.db2.gz JIEFFNOSQHWMJW-UHFFFAOYSA-N -1 3 389.807 3.737 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000134210711 882784910 /nfs/dbraw/zinc/78/49/10/882784910.db2.gz JDVFIRGRHNHOTD-UHFFFAOYSA-N -1 3 383.411 3.871 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000134210711 882784913 /nfs/dbraw/zinc/78/49/13/882784913.db2.gz JDVFIRGRHNHOTD-UHFFFAOYSA-N -1 3 383.411 3.871 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1ccnc(Cl)c1C(F)(F)F ZINC001197782805 874044913 /nfs/dbraw/zinc/04/49/13/874044913.db2.gz 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O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cncn1-c1ccc(C(F)(F)F)cc1 ZINC001198267140 874295975 /nfs/dbraw/zinc/29/59/75/874295975.db2.gz LJARKCISBNDBLT-UHFFFAOYSA-N -1 3 387.321 3.725 20 0 GHADHM COc1cccc2c1OC[C@@H]2[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198488311 874435385 /nfs/dbraw/zinc/43/53/85/874435385.db2.gz NPXKJNFPZAEIHJ-KRWDZBQOSA-N -1 3 397.452 3.900 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC001198710574 874600520 /nfs/dbraw/zinc/60/05/20/874600520.db2.gz WZJDAQAYEHVJSA-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1ccc(Br)s1 ZINC000528499576 874636644 /nfs/dbraw/zinc/63/66/44/874636644.db2.gz OLKCAQMCNJNNLV-CQSZACIVSA-N -1 3 387.324 3.725 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000177988266 882853213 /nfs/dbraw/zinc/85/32/13/882853213.db2.gz TXRJSNYEJCSMHW-UHFFFAOYSA-N -1 3 398.528 3.640 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cnc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001198943067 874721313 /nfs/dbraw/zinc/72/13/13/874721313.db2.gz FYYVXFCPVABIHQ-UHFFFAOYSA-N -1 3 397.431 3.540 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775934928 874795556 /nfs/dbraw/zinc/79/55/56/874795556.db2.gz SIEKIQHSCNBKHJ-AWEZNQCLSA-N -1 3 379.865 3.800 20 0 GHADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000542040538 874802002 /nfs/dbraw/zinc/80/20/02/874802002.db2.gz MYTLFWZCNNXAOA-BIXPNRAVSA-N -1 3 381.457 3.670 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c(Br)c1 ZINC000115910271 882884104 /nfs/dbraw/zinc/88/41/04/882884104.db2.gz ZMRANDVWDRZKFD-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](c2ccsc2)O1 ZINC000528824152 875129303 /nfs/dbraw/zinc/12/93/03/875129303.db2.gz FDGVTTJJSFVRDP-BONVTDFDSA-N -1 3 382.279 3.818 20 0 GHADHM COc1ccc([C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C2CC2)cn1 ZINC000528850937 875154529 /nfs/dbraw/zinc/15/45/29/875154529.db2.gz VTIQEIBLYSTXGT-GOSISDBHSA-N -1 3 376.416 3.726 20 0 GHADHM O=C(NCc1ccc(N2CCCC2)nc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000303169131 875159945 /nfs/dbraw/zinc/15/99/45/875159945.db2.gz WJYIXZYSCIYMKO-UHFFFAOYSA-N -1 3 387.483 3.908 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC12CCC2 ZINC000771338962 875204921 /nfs/dbraw/zinc/20/49/21/875204921.db2.gz LATUTIFKLKOYTF-AWEZNQCLSA-N -1 3 396.528 3.555 20 0 GHADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc(F)c1[O-] ZINC001127253053 875326639 /nfs/dbraw/zinc/32/66/39/875326639.db2.gz LOQFGNRZCSXFOU-QGZVFWFLSA-N -1 3 394.450 3.736 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)c(C)c1 ZINC000475735463 882930888 /nfs/dbraw/zinc/93/08/88/882930888.db2.gz DEULGDUCESHWNJ-UHFFFAOYSA-N -1 3 386.477 3.672 20 0 GHADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000542386185 875483474 /nfs/dbraw/zinc/48/34/74/875483474.db2.gz HITXXLMFQDSDKI-UHFFFAOYSA-N -1 3 399.454 3.582 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccnc(Oc2ccccc2)c1 ZINC001201075599 875511946 /nfs/dbraw/zinc/51/19/46/875511946.db2.gz SITYMJKZIROWEI-UHFFFAOYSA-N -1 3 387.403 3.622 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccnc(Oc2ccccc2)c1 ZINC001201075599 875511958 /nfs/dbraw/zinc/51/19/58/875511958.db2.gz SITYMJKZIROWEI-UHFFFAOYSA-N -1 3 387.403 3.622 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Br)s2)cc1F ZINC000475737220 882937543 /nfs/dbraw/zinc/93/75/43/882937543.db2.gz JZZZQIRPCNXXCN-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM Cc1cncc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Br)C2CC2)c1 ZINC001201082297 875513878 /nfs/dbraw/zinc/51/38/78/875513878.db2.gz VVIQLEJVKUDIFB-HNNXBMFYSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000542409417 875515357 /nfs/dbraw/zinc/51/53/57/875515357.db2.gz ZBCLXAHXYQYLBI-GDBMZVCRSA-N -1 3 394.397 3.645 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)cc1 ZINC001201215223 875581657 /nfs/dbraw/zinc/58/16/57/875581657.db2.gz VSAYSYQFVSOWJS-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c(F)c1 ZINC001201283081 875590399 /nfs/dbraw/zinc/59/03/99/875590399.db2.gz UUSXICISNBPGIV-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000867391480 875685169 /nfs/dbraw/zinc/68/51/69/875685169.db2.gz KTAFAQGIYILRPU-JTQLQIEISA-N -1 3 398.282 3.575 20 0 GHADHM Cc1ncc([C@H](C)[N-]C(=O)C(F)(F)c2ncccc2Br)s1 ZINC000913655789 875741662 /nfs/dbraw/zinc/74/16/62/875741662.db2.gz ABKUZNMDIRWTRW-ZETCQYMHSA-N -1 3 376.226 3.578 20 0 GHADHM Cc1ccccc1CC(=O)N[N-]C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000151667955 875750659 /nfs/dbraw/zinc/75/06/59/875750659.db2.gz VGSLWBNSROVOTQ-UHFFFAOYSA-N -1 3 379.847 3.714 20 0 GHADHM Cc1ccc(CCC[N-]S(=O)(=O)c2cccc(F)c2Br)s1 ZINC001201788648 875884319 /nfs/dbraw/zinc/88/43/19/875884319.db2.gz KDUQDGPEODYRMW-UHFFFAOYSA-N -1 3 392.315 3.869 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1cccc(F)c1Br ZINC001201791047 875885275 /nfs/dbraw/zinc/88/52/75/875885275.db2.gz NCUOWGBJKAOJMM-LBPRGKRZSA-N -1 3 384.270 3.597 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cccc(F)c1Br ZINC001201791046 875885408 /nfs/dbraw/zinc/88/54/08/875885408.db2.gz NCUOWGBJKAOJMM-GFCCVEGCSA-N -1 3 384.270 3.597 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4C)OC[C@@H]3C)nc2)n1 ZINC000192661943 882980019 /nfs/dbraw/zinc/98/00/19/882980019.db2.gz XHYODJRGSAJIIO-OXJNMPFZSA-N -1 3 390.487 3.669 20 0 GHADHM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(OC)c(OC)cc3C)cc2O1 ZINC000785490146 876072242 /nfs/dbraw/zinc/07/22/42/876072242.db2.gz XAAPFZGUABURIL-LJQANCHMSA-N -1 3 393.461 3.710 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000450212307 876084090 /nfs/dbraw/zinc/08/40/90/876084090.db2.gz DHWSSVMCCABYRR-UHFFFAOYSA-N -1 3 386.250 3.792 20 0 GHADHM CCN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000529406757 876087133 /nfs/dbraw/zinc/08/71/33/876087133.db2.gz CQOMIDRJTHRUCP-YVEFUNNKSA-N -1 3 378.266 3.739 20 0 GHADHM CC(C)c1n[n-]c(=NCc2ccccc2CN2CCN(c3ccccc3)CC2)o1 ZINC000450259174 876160757 /nfs/dbraw/zinc/16/07/57/876160757.db2.gz VKLDPILDNVHBTJ-UHFFFAOYSA-N -1 3 391.519 3.549 20 0 GHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509464478 876251650 /nfs/dbraw/zinc/25/16/50/876251650.db2.gz QZPUISVHGFYSDJ-UHFFFAOYSA-N -1 3 395.834 3.622 20 0 GHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(Br)s1 ZINC000173346298 876331359 /nfs/dbraw/zinc/33/13/59/876331359.db2.gz CHIPMGQQHFRPCB-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129610422 883020677 /nfs/dbraw/zinc/02/06/77/883020677.db2.gz KUNKDOIDPRSLSQ-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129610422 883020692 /nfs/dbraw/zinc/02/06/92/883020692.db2.gz KUNKDOIDPRSLSQ-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2Br)o1)c1cc2occc2[n-]1 ZINC000786030436 876416843 /nfs/dbraw/zinc/41/68/43/876416843.db2.gz FPDBNQVMBCXTCP-UHFFFAOYSA-N -1 3 388.177 3.930 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc4occc4[n-]3)c2)cs1 ZINC000786031550 876418436 /nfs/dbraw/zinc/41/84/36/876418436.db2.gz SHIPGTCROKPXGM-UHFFFAOYSA-N -1 3 381.413 3.988 20 0 GHADHM CC(C)Oc1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c(F)c1 ZINC000108164689 876441283 /nfs/dbraw/zinc/44/12/83/876441283.db2.gz JJWZCVIPVUOZGZ-UHFFFAOYSA-N -1 3 393.408 3.923 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC[C@H]1c1ccccc1 ZINC000173552285 876466851 /nfs/dbraw/zinc/46/68/51/876466851.db2.gz GWACMWDOZKHDPX-RHSMWYFYSA-N -1 3 377.444 3.618 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)N1CCSc2ccccc21 ZINC000786140614 876469249 /nfs/dbraw/zinc/46/92/49/876469249.db2.gz FBPXULDISBKJRT-UHFFFAOYSA-N -1 3 385.466 3.903 20 0 GHADHM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cc2sccc2c([O-])c1 ZINC000786140998 876470523 /nfs/dbraw/zinc/47/05/23/876470523.db2.gz VDPNHPNSDQGEKN-UHFFFAOYSA-N -1 3 386.816 3.625 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1C(C)C ZINC000193446156 876554361 /nfs/dbraw/zinc/55/43/61/876554361.db2.gz XQDAEMVGBFCESI-XMMPIXPASA-N -1 3 381.519 3.665 20 0 GHADHM Cc1n[nH]cc1C1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000551019489 883067603 /nfs/dbraw/zinc/06/76/03/883067603.db2.gz JHZXFOVVAMULAK-UHFFFAOYSA-N -1 3 392.463 3.601 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1ccc(F)cc1C(F)(F)F ZINC000193028135 883074745 /nfs/dbraw/zinc/07/47/45/883074745.db2.gz LLTPAFOVTVPGGR-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000786864498 876989753 /nfs/dbraw/zinc/98/97/53/876989753.db2.gz MUZZKKLFBBAIDX-UHFFFAOYSA-N -1 3 394.487 3.617 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc2c(cc1Cl)CCC2 ZINC000530020115 877014024 /nfs/dbraw/zinc/01/40/24/877014024.db2.gz RLOAAYRKGQFLKL-UHFFFAOYSA-N -1 3 382.851 3.946 20 0 GHADHM CN(C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000786897766 877016250 /nfs/dbraw/zinc/01/62/50/877016250.db2.gz ZVCDWZUAEUFYNG-MRXNPFEDSA-N -1 3 394.487 3.569 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc2ccccc2[nH]1 ZINC000136432080 877206135 /nfs/dbraw/zinc/20/61/35/877206135.db2.gz HWXMGKDHTMJBFK-JTQLQIEISA-N -1 3 389.253 3.591 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000451013123 877232981 /nfs/dbraw/zinc/23/29/81/877232981.db2.gz YTPOPEXHTKWPNN-UHFFFAOYSA-N -1 3 388.489 3.871 20 0 GHADHM COc1ccc(C)cc1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000136544364 877248630 /nfs/dbraw/zinc/24/86/30/877248630.db2.gz PIYMTCMJVYZUBJ-UHFFFAOYSA-N -1 3 393.281 3.514 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787314263 877340061 /nfs/dbraw/zinc/34/00/61/877340061.db2.gz GMJQHFMVIFXWQY-HOTGVXAUSA-N -1 3 394.487 3.806 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000610058180 877342177 /nfs/dbraw/zinc/34/21/77/877342177.db2.gz PLIPOMBWYQSHLT-UHFFFAOYSA-N -1 3 387.501 3.862 20 0 GHADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000451118714 877383185 /nfs/dbraw/zinc/38/31/85/877383185.db2.gz YGJJYKVLBOQHMA-UHFFFAOYSA-N -1 3 395.546 3.656 20 0 GHADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000530290586 877453161 /nfs/dbraw/zinc/45/31/61/877453161.db2.gz ZLCZFRYFICFZLR-SFHVURJKSA-N -1 3 393.516 3.897 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000137057150 877497777 /nfs/dbraw/zinc/49/77/77/877497777.db2.gz VAJNHXCCQKURQE-CQSZACIVSA-N -1 3 393.484 3.607 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc2ccccc2[nH]1 ZINC000137427146 877545718 /nfs/dbraw/zinc/54/57/18/877545718.db2.gz BDXFBXDGCXYKGN-SGTLLEGYSA-N -1 3 383.448 3.803 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(F)cc1F ZINC000787845129 877664032 /nfs/dbraw/zinc/66/40/32/877664032.db2.gz MTVOSBPAWUBHAP-NSHDSACASA-N -1 3 381.350 3.703 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000787845819 877665427 /nfs/dbraw/zinc/66/54/27/877665427.db2.gz QGRRIYLFBGPQJM-CABCVRRESA-N -1 3 385.435 3.764 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cc(F)ccc1F ZINC000787850135 877669580 /nfs/dbraw/zinc/66/95/80/877669580.db2.gz PPBFHFIBJFRMDM-LLVKDONJSA-N -1 3 381.350 3.703 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2ccc3ccccc3n2)no1 ZINC001212268611 877673422 /nfs/dbraw/zinc/67/34/22/877673422.db2.gz OJJZBLXIEBOKMZ-UHFFFAOYSA-N -1 3 376.372 3.554 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCSc3ccccn3)c2)n1 ZINC000121733165 877691962 /nfs/dbraw/zinc/69/19/62/877691962.db2.gz CGXDXBGGYMTXRH-UHFFFAOYSA-N -1 3 380.473 3.515 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)c1nc(C(C)(C)C)no1 ZINC000451285623 877712289 /nfs/dbraw/zinc/71/22/89/877712289.db2.gz RAUCIELRRQQSHH-JTQLQIEISA-N -1 3 394.884 3.608 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)sc1Cl ZINC000530386239 877716111 /nfs/dbraw/zinc/71/61/11/877716111.db2.gz SBTXTRWKDJINPD-LLVKDONJSA-N -1 3 399.843 3.741 20 0 GHADHM O=C([O-])c1ccccc1CC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000851706876 877871389 /nfs/dbraw/zinc/87/13/89/877871389.db2.gz KZMJLZRSTFVZDN-FQEVSTJZSA-N -1 3 375.415 3.651 20 0 GHADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc(C)n1 ZINC001183103444 912287427 /nfs/dbraw/zinc/28/74/27/912287427.db2.gz WYTSEHCEVXKQFT-UHFFFAOYSA-N -1 3 387.867 3.548 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000788288981 877996892 /nfs/dbraw/zinc/99/68/92/877996892.db2.gz SQKVEVKLMBHEAC-ZDUSSCGKSA-N -1 3 390.505 3.984 20 0 GHADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc2sccc2c([O-])c1 ZINC000788309481 878012748 /nfs/dbraw/zinc/01/27/48/878012748.db2.gz RDUYSICLZJRMES-OAHLLOKOSA-N -1 3 384.432 3.671 20 0 GHADHM Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Br ZINC000175975089 878021971 /nfs/dbraw/zinc/02/19/71/878021971.db2.gz WHAFLHSHMQDVNV-UHFFFAOYSA-N -1 3 378.270 3.699 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000179799370 878032083 /nfs/dbraw/zinc/03/20/83/878032083.db2.gz DHIHIYQAEKDBEZ-UHFFFAOYSA-N -1 3 383.408 3.593 20 0 GHADHM COc1ccc(-c2noc([C@H](C)N3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)n2)cc1 ZINC000565952262 878033427 /nfs/dbraw/zinc/03/34/27/878033427.db2.gz WYQXQZDDODYHPI-KYNGSXCRSA-N -1 3 393.443 3.606 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000530578205 878065518 /nfs/dbraw/zinc/06/55/18/878065518.db2.gz LPCCOIJKXAOYAA-HNNXBMFYSA-N -1 3 389.814 3.513 20 0 GHADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000179866989 878120217 /nfs/dbraw/zinc/12/02/17/878120217.db2.gz WQKSYIFZNKJMCJ-NEPJUHHUSA-N -1 3 381.325 3.651 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2c(F)ccc([O-])c2F)c2cccs2)CC1 ZINC000537732561 878209448 /nfs/dbraw/zinc/20/94/48/878209448.db2.gz ZHPBMAIHLYZDKZ-CQSZACIVSA-N -1 3 380.460 3.935 20 0 GHADHM CC(C)c1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000460592821 878216213 /nfs/dbraw/zinc/21/62/13/878216213.db2.gz PFDICOKBBZFWPA-UHFFFAOYSA-N -1 3 399.563 3.755 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537742429 878229552 /nfs/dbraw/zinc/22/95/52/878229552.db2.gz JPIYOTLSABEMLB-HWPZZCPQSA-N -1 3 375.824 3.673 20 0 GHADHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000451646994 878262397 /nfs/dbraw/zinc/26/23/97/878262397.db2.gz HEJDTICBRMQOMM-MRVPVSSYSA-N -1 3 380.215 3.629 20 0 GHADHM Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000068287769 878263171 /nfs/dbraw/zinc/26/31/71/878263171.db2.gz SLQKHPNVZKNMQV-UHFFFAOYSA-N -1 3 383.429 3.961 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000530656718 878275852 /nfs/dbraw/zinc/27/58/52/878275852.db2.gz ADPAHBVATODTBN-UHFFFAOYSA-N -1 3 390.370 3.580 20 0 GHADHM Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc(F)ccc1[O-] ZINC000530657812 878278797 /nfs/dbraw/zinc/27/87/97/878278797.db2.gz AUWUVYBZFKRUNH-UHFFFAOYSA-N -1 3 382.420 3.952 20 0 GHADHM Cc1ccnc(-c2cccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)c2)n1 ZINC000788747192 878320119 /nfs/dbraw/zinc/32/01/19/878320119.db2.gz KNYJIVFTLSPMJG-UHFFFAOYSA-N -1 3 379.441 3.627 20 0 GHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451719061 878391191 /nfs/dbraw/zinc/39/11/91/878391191.db2.gz IHAMXRYLFVYFOV-QWRGUYRKSA-N -1 3 399.456 3.633 20 0 GHADHM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000451750030 878414021 /nfs/dbraw/zinc/41/40/21/878414021.db2.gz SWICTYFXPSKNSU-RYUDHWBXSA-N -1 3 376.881 3.542 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)sc1Cl ZINC000788897573 878430066 /nfs/dbraw/zinc/43/00/66/878430066.db2.gz GMKSRQRJUVSFEX-ISVAXAHUSA-N -1 3 398.308 3.903 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2c(F)cccc2Cl)sc1Cl ZINC000788897579 878430081 /nfs/dbraw/zinc/43/00/81/878430081.db2.gz GMKSRQRJUVSFEX-SDBXPKJASA-N -1 3 398.308 3.903 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@@H](O)c1c(F)cccc1F ZINC000788898289 878433118 /nfs/dbraw/zinc/43/31/18/878433118.db2.gz KUMDDTHYZUAQNS-BXUZGUMPSA-N -1 3 395.880 3.779 20 0 GHADHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000451818595 878525939 /nfs/dbraw/zinc/52/59/39/878525939.db2.gz QBRPTKAYXRGYRU-BXUZGUMPSA-N -1 3 383.407 3.574 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1F ZINC000177181578 878588597 /nfs/dbraw/zinc/58/85/97/878588597.db2.gz RRGFUPGLASKZBE-UHFFFAOYSA-N -1 3 398.419 3.573 20 0 GHADHM CCCn1nccc1C=C(C(=O)OCC)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000853002938 878747417 /nfs/dbraw/zinc/74/74/17/878747417.db2.gz ZBVIHHMRQOFSCX-GXDHUFHOSA-N -1 3 386.477 3.724 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3CCC(=O)c4cccn43)nc(=O)c2c1C ZINC000789240911 878750649 /nfs/dbraw/zinc/75/06/49/878750649.db2.gz UOEMLRSXGYQMPN-ZWNOBZJWSA-N -1 3 385.445 3.637 20 0 GHADHM O=C(c1ccc(Cl)cc1NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCCOC1 ZINC000853066436 878785897 /nfs/dbraw/zinc/78/58/97/878785897.db2.gz RRZXDTSYWMARKG-ZDUSSCGKSA-N -1 3 387.867 3.934 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn(C)nc3-c3ccoc3)nc(=O)c2c1C ZINC000789262521 878789683 /nfs/dbraw/zinc/78/96/83/878789683.db2.gz BEZOGELGBHQOPX-SNVBAGLBSA-N -1 3 398.444 3.925 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000530967443 878812007 /nfs/dbraw/zinc/81/20/07/878812007.db2.gz LCUINEPNSYAXST-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1[O-] ZINC000530955032 878841064 /nfs/dbraw/zinc/84/10/64/878841064.db2.gz WNYLPQQUABSFAF-KRWDZBQOSA-N -1 3 395.503 3.937 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000538119348 878841943 /nfs/dbraw/zinc/84/19/43/878841943.db2.gz FSTZDQXXTCFVDE-XJKSGUPXSA-N -1 3 390.263 3.941 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OCC(C)C)cc1)OCC ZINC001212283425 878901199 /nfs/dbraw/zinc/90/11/99/878901199.db2.gz HCBRVVPJXHEXRG-UHFFFAOYSA-N -1 3 375.469 3.902 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000452148348 879029646 /nfs/dbraw/zinc/02/96/46/879029646.db2.gz PNYWQOYWNFLCKY-ZDUSSCGKSA-N -1 3 376.250 3.565 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000616823401 879129646 /nfs/dbraw/zinc/12/96/46/879129646.db2.gz NBTQAYMZFPVIFQ-OAHLLOKOSA-N -1 3 379.382 3.762 20 0 GHADHM Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000761500498 879173343 /nfs/dbraw/zinc/17/33/43/879173343.db2.gz MLHHJYFCPMOTMN-UHFFFAOYSA-N -1 3 377.356 3.725 20 0 GHADHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1c(Cl)cccc1Cl ZINC000643041319 912426862 /nfs/dbraw/zinc/42/68/62/912426862.db2.gz ZDEDHUOYQNWSNR-VIFPVBQESA-N -1 3 394.258 3.632 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000789734355 879205638 /nfs/dbraw/zinc/20/56/38/879205638.db2.gz JCOCUABQPNGZEP-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])N1CCc2ccccc2C1 ZINC000531155914 879216802 /nfs/dbraw/zinc/21/68/02/879216802.db2.gz YSLGAKLQAFOGTD-GFCCVEGCSA-N -1 3 375.266 3.540 20 0 GHADHM COC(=O)C[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1F)c1cccc(F)c1 ZINC000789719722 879227697 /nfs/dbraw/zinc/22/76/97/879227697.db2.gz IOOHVLHGICGKPS-GOSISDBHSA-N -1 3 383.341 3.651 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1=CCCCC1 ZINC000452287661 879261033 /nfs/dbraw/zinc/26/10/33/879261033.db2.gz ARHFLMDEWIRIMM-NRFANRHFSA-N -1 3 378.472 3.870 20 0 GHADHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c1Br ZINC000789946317 879360125 /nfs/dbraw/zinc/36/01/25/879360125.db2.gz VZWMDGPUYKMTKO-UHFFFAOYSA-N -1 3 396.245 3.645 20 0 GHADHM COCCc1nc(C)c([C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)s1 ZINC000180901337 879470128 /nfs/dbraw/zinc/47/01/28/879470128.db2.gz AHSFHQQVPDOMAQ-GFCCVEGCSA-N -1 3 375.450 3.850 20 0 GHADHM COCCc1nc(C)c([C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)s1 ZINC000180901337 879470134 /nfs/dbraw/zinc/47/01/34/879470134.db2.gz AHSFHQQVPDOMAQ-GFCCVEGCSA-N -1 3 375.450 3.850 20 0 GHADHM Cc1ccn(-c2ccccc2NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000376186630 879653773 /nfs/dbraw/zinc/65/37/73/879653773.db2.gz GYZQBHXUPRJCDR-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000538534562 879671966 /nfs/dbraw/zinc/67/19/66/879671966.db2.gz LURMTMOYBUEDSN-CHWSQXEVSA-N -1 3 383.407 3.717 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493903587 879733846 /nfs/dbraw/zinc/73/38/46/879733846.db2.gz ASMIUOUBIGHZAT-UHFFFAOYSA-N -1 3 398.750 3.570 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(OC(C)C)ccc1F)OCC ZINC001212307964 879942992 /nfs/dbraw/zinc/94/29/92/879942992.db2.gz DEJYMLDCJNIOEE-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Br)ccc3C)nc21 ZINC000494130081 879958606 /nfs/dbraw/zinc/95/86/06/879958606.db2.gz CTXDZXVBVVAPSE-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452755384 879962669 /nfs/dbraw/zinc/96/26/69/879962669.db2.gz NJEXJPWXMKLCRF-AAEUAGOBSA-N -1 3 397.313 3.686 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(-c2ccccc2F)c1 ZINC000531492750 879963561 /nfs/dbraw/zinc/96/35/61/879963561.db2.gz OVQJEMAJTJBZDK-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000790739841 879972075 /nfs/dbraw/zinc/97/20/75/879972075.db2.gz TYFIKDSHFZCBPT-SNVBAGLBSA-N -1 3 385.798 3.629 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000790812389 879985868 /nfs/dbraw/zinc/98/58/68/879985868.db2.gz HZQVVSQXUSAHEP-FZMZJTMJSA-N -1 3 381.402 3.550 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000452755293 880019195 /nfs/dbraw/zinc/01/91/95/880019195.db2.gz NBDFUQUTVGSYKO-JTQLQIEISA-N -1 3 395.219 3.676 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000854889727 880121417 /nfs/dbraw/zinc/12/14/17/880121417.db2.gz OSXQOEHRTFREHL-QWHCGFSZSA-N -1 3 380.510 3.537 20 0 GHADHM Cc1[nH]nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1Cl ZINC000790978056 880138001 /nfs/dbraw/zinc/13/80/01/880138001.db2.gz ADXQZSADRUGFGC-INIZCTEOSA-N -1 3 398.850 3.577 20 0 GHADHM COc1cc(C(=O)NCC(C)(C)c2cccc(Cl)c2F)cc(OC)c1[O-] ZINC000183883784 880169881 /nfs/dbraw/zinc/16/98/81/880169881.db2.gz GGWLGYRNAPPESP-UHFFFAOYSA-N -1 3 381.831 3.910 20 0 GHADHM CSCC[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1nnc2ccccn21 ZINC000791308250 880344945 /nfs/dbraw/zinc/34/49/45/880344945.db2.gz SEGIDBQBSFICPL-AWEZNQCLSA-N -1 3 398.513 3.874 20 0 GHADHM COCCc1nc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc2o1 ZINC000531772423 880455333 /nfs/dbraw/zinc/45/53/33/880455333.db2.gz RPPNYZMGUOWUOI-UHFFFAOYSA-N -1 3 395.390 3.558 20 0 GHADHM C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c2ccccc21 ZINC001183510257 912606519 /nfs/dbraw/zinc/60/65/19/912606519.db2.gz WATAWELUADIQHJ-ZDUSSCGKSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c2ccccc21 ZINC001183510257 912606525 /nfs/dbraw/zinc/60/65/25/912606525.db2.gz WATAWELUADIQHJ-ZDUSSCGKSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186199512 880817369 /nfs/dbraw/zinc/81/73/69/880817369.db2.gz NGNFCGVFMZETLB-ZDUSSCGKSA-N -1 3 388.468 3.522 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(N2CCOC2=O)c1 ZINC000792093909 880924464 /nfs/dbraw/zinc/92/44/64/880924464.db2.gz POFCBFVMTQCHKM-AWEZNQCLSA-N -1 3 376.412 3.993 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001183553586 912622895 /nfs/dbraw/zinc/62/28/95/912622895.db2.gz KFRDZPAETJTXMW-INIZCTEOSA-N -1 3 388.468 3.681 20 0 GHADHM COCC[S@](=O)Cc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792182741 880969337 /nfs/dbraw/zinc/96/93/37/880969337.db2.gz BXHNWKKPCXVGBM-MHZLTWQESA-N -1 3 383.469 3.693 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000856136801 880985523 /nfs/dbraw/zinc/98/55/23/880985523.db2.gz LDJLJJVCWHPSAM-ZDUSSCGKSA-N -1 3 398.290 3.558 20 0 GHADHM C[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000856170757 881010169 /nfs/dbraw/zinc/01/01/69/881010169.db2.gz LEZLHEWQEXDWCF-FVQBIDKESA-N -1 3 384.442 3.732 20 0 GHADHM CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275211013 912639634 /nfs/dbraw/zinc/63/96/34/912639634.db2.gz YABOPTDSCUVSRB-IBGZPJMESA-N -1 3 395.341 3.912 20 0 GHADHM CC(C)(C)OC(=O)[C@](C)([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1 ZINC000856326750 881134926 /nfs/dbraw/zinc/13/49/26/881134926.db2.gz AOBCHLZDSDHQFG-QGZVFWFLSA-N -1 3 382.432 3.608 20 0 GHADHM O=C(CCc1nc(C2CCCC2)no1)Nc1ccc(Br)cc1[O-] ZINC000132477266 881184864 /nfs/dbraw/zinc/18/48/64/881184864.db2.gz BYNPHBURMSFJHX-UHFFFAOYSA-N -1 3 380.242 3.767 20 0 GHADHM Cc1ccc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)nc1 ZINC000532139897 881278275 /nfs/dbraw/zinc/27/82/75/881278275.db2.gz INYNGKXPRROKNM-UHFFFAOYSA-N -1 3 385.464 3.620 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(O)cc3Cl)c2)n1 ZINC000182098747 883182284 /nfs/dbraw/zinc/18/22/84/883182284.db2.gz CCBIXGMIQUIRGT-UHFFFAOYSA-N -1 3 383.835 3.540 20 0 GHADHM CC(C)[C@H]1C[C@@](NCc2ccc(N3CCCC3)nc2)(C(=O)[O-])c2ccccc21 ZINC000551054887 883190899 /nfs/dbraw/zinc/19/08/99/883190899.db2.gz BIVMQPBENQABPN-XXBNENTESA-N -1 3 379.504 3.895 20 0 GHADHM CC(C)[C@@H]1C[C@@](NCc2ccc(N3CCCC3)nc2)(C(=O)[O-])c2ccccc21 ZINC000551054885 883191009 /nfs/dbraw/zinc/19/10/09/883191009.db2.gz BIVMQPBENQABPN-CVDCTZTESA-N -1 3 379.504 3.895 20 0 GHADHM CCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000195337486 883285422 /nfs/dbraw/zinc/28/54/22/883285422.db2.gz LSAWKXAETUTBLO-HXUWFJFHSA-N -1 3 390.487 3.731 20 0 GHADHM O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001183648494 912692389 /nfs/dbraw/zinc/69/23/89/912692389.db2.gz XYTPXZDSYNEZKM-INIZCTEOSA-N -1 3 389.238 3.758 20 0 GHADHM Cc1ccncc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000078507006 883482618 /nfs/dbraw/zinc/48/26/18/883482618.db2.gz ZNTFNIFUGSNPTJ-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COCCCO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000805036777 883578686 /nfs/dbraw/zinc/57/86/86/883578686.db2.gz NIHFOGUPACSVBA-UHFFFAOYSA-N -1 3 382.460 3.860 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)c(F)cc1C ZINC000551383480 883766953 /nfs/dbraw/zinc/76/69/53/883766953.db2.gz FZNAJRIUYONUEU-UHFFFAOYSA-N -1 3 383.466 3.834 20 0 GHADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909667485 883803416 /nfs/dbraw/zinc/80/34/16/883803416.db2.gz IIZZOSNXJYZXCH-QUCCMNQESA-N -1 3 390.499 3.578 20 0 GHADHM CN(C)C(=O)Sc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1Cl ZINC000805434164 883815885 /nfs/dbraw/zinc/81/58/85/883815885.db2.gz MHSJPEITYBOYLN-UHFFFAOYSA-N -1 3 394.836 3.800 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Br)c1 ZINC000475790464 883832824 /nfs/dbraw/zinc/83/28/24/883832824.db2.gz UZMMMIIZLZIGHE-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nccn2-c2ccccc2)cc1[O-] ZINC000805481981 883849275 /nfs/dbraw/zinc/84/92/75/883849275.db2.gz UDSSXXMSHKZDRF-ZDUSSCGKSA-N -1 3 381.388 3.674 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1F ZINC000020003458 883861375 /nfs/dbraw/zinc/86/13/75/883861375.db2.gz HRXVOIFMZREEAC-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM O=C(OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cnn[n-]1 ZINC000805605436 883907254 /nfs/dbraw/zinc/90/72/54/883907254.db2.gz ZCAXQJIPWDKMCC-UHFFFAOYSA-N -1 3 379.807 3.668 20 0 GHADHM O=C(OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1c[n-]nn1 ZINC000805605436 883907259 /nfs/dbraw/zinc/90/72/59/883907259.db2.gz ZCAXQJIPWDKMCC-UHFFFAOYSA-N -1 3 379.807 3.668 20 0 GHADHM COc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(N)c1F ZINC000805599743 883933767 /nfs/dbraw/zinc/93/37/67/883933767.db2.gz RKRPWBPCPKZDGF-MRVPVSSYSA-N -1 3 391.424 3.662 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCC1 ZINC000914514490 883977452 /nfs/dbraw/zinc/97/74/52/883977452.db2.gz XZOYEMNUKZDAED-UHFFFAOYSA-N -1 3 396.528 3.841 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)n[n-]c21 ZINC000859694103 883995191 /nfs/dbraw/zinc/99/51/91/883995191.db2.gz DLCCPCNBKVNVPS-GHMZBOCLSA-N -1 3 384.354 3.666 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)[n-]nc21 ZINC000859694103 883995205 /nfs/dbraw/zinc/99/52/05/883995205.db2.gz DLCCPCNBKVNVPS-GHMZBOCLSA-N -1 3 384.354 3.666 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)n[n-]c21 ZINC000859694106 883995493 /nfs/dbraw/zinc/99/54/93/883995493.db2.gz DLCCPCNBKVNVPS-QWRGUYRKSA-N -1 3 384.354 3.666 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)[n-]nc21 ZINC000859694106 883995503 /nfs/dbraw/zinc/99/55/03/883995503.db2.gz DLCCPCNBKVNVPS-QWRGUYRKSA-N -1 3 384.354 3.666 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000914534513 884041225 /nfs/dbraw/zinc/04/12/25/884041225.db2.gz RDBVAVVEJKTWSK-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000914534513 884041242 /nfs/dbraw/zinc/04/12/42/884041242.db2.gz RDBVAVVEJKTWSK-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cnn(-c3ccc(C(F)(F)F)cc3)c1)CC2 ZINC000859806628 884080049 /nfs/dbraw/zinc/08/00/49/884080049.db2.gz GYXODDQIRREWKQ-INIZCTEOSA-N -1 3 379.382 3.578 20 0 GHADHM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(CCC(C)C)cc3)ccc21 ZINC000024976551 884138512 /nfs/dbraw/zinc/13/85/12/884138512.db2.gz GSOCPSDRFZKCCW-UHFFFAOYSA-N -1 3 386.517 3.985 20 0 GHADHM O=C(CC1(c2cccc(C(F)(F)F)c2)CCOCC1)NCc1ncccc1[O-] ZINC001183810366 912802623 /nfs/dbraw/zinc/80/26/23/912802623.db2.gz SCTZEYKVAPGWPL-UHFFFAOYSA-N -1 3 394.393 3.561 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1-c1ccccc1 ZINC000064374101 884235690 /nfs/dbraw/zinc/23/56/90/884235690.db2.gz VFGFMWWRTXJLKV-UHFFFAOYSA-N -1 3 399.454 3.746 20 0 GHADHM COc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1OC(C)C ZINC000064374475 884236202 /nfs/dbraw/zinc/23/62/02/884236202.db2.gz CQBMAAOKOYWUQB-UHFFFAOYSA-N -1 3 393.443 3.793 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cccc4ccoc43)c(C)c2)CC1 ZINC000556264939 884284236 /nfs/dbraw/zinc/28/42/36/884284236.db2.gz GBEVKYUBSFVGPR-UHFFFAOYSA-N -1 3 399.516 3.684 20 0 GHADHM CCS[C@@H](C)c1noc(COC(=O)c2cc([O-])cc(Br)c2)n1 ZINC000860202826 884413281 /nfs/dbraw/zinc/41/32/81/884413281.db2.gz ZTKBDIOIIOFIHT-QMMMGPOBSA-N -1 3 387.255 3.709 20 0 GHADHM Cc1nc2sccn2c1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000860245129 884478854 /nfs/dbraw/zinc/47/88/54/884478854.db2.gz WJQHXRIGQOQHCP-SECBINFHSA-N -1 3 388.474 3.949 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000556357875 884576209 /nfs/dbraw/zinc/57/62/09/884576209.db2.gz GZNKJQLQJVSTJE-HNNXBMFYSA-N -1 3 385.427 3.940 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000556357875 884576221 /nfs/dbraw/zinc/57/62/21/884576221.db2.gz GZNKJQLQJVSTJE-HNNXBMFYSA-N -1 3 385.427 3.940 20 0 GHADHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000898212305 884634557 /nfs/dbraw/zinc/63/45/57/884634557.db2.gz HAZQMYUZRWZCCU-CRAIPNDOSA-N -1 3 378.476 3.773 20 0 GHADHM COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000860442064 884679876 /nfs/dbraw/zinc/67/98/76/884679876.db2.gz VLZBWTBQHPUQRM-QGZVFWFLSA-N -1 3 390.411 3.744 20 0 GHADHM COc1cc(C(=O)NCc2nc(C)cc(=O)[n-]2)cc(Cl)c1OCCC(C)C ZINC000898265128 884684964 /nfs/dbraw/zinc/68/49/64/884684964.db2.gz VAKZDXZEPDBKCF-UHFFFAOYSA-N -1 3 393.871 3.508 20 0 GHADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556376072 884704626 /nfs/dbraw/zinc/70/46/26/884704626.db2.gz QQQANBOHQBRRDZ-VIFPVBQESA-N -1 3 384.723 3.584 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364792 884728150 /nfs/dbraw/zinc/72/81/50/884728150.db2.gz SVWXJACWBINTMN-IKGGRYGDSA-N -1 3 382.460 3.849 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000860538953 884779703 /nfs/dbraw/zinc/77/97/03/884779703.db2.gz BFBNGONELSERLQ-UHFFFAOYSA-N -1 3 376.497 3.810 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc2cccnc2c(OC)n1 ZINC001151364996 912878838 /nfs/dbraw/zinc/87/88/38/912878838.db2.gz PPOOSWOYNZZDGM-UHFFFAOYSA-N -1 3 390.399 3.549 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCSc1ccccc1Cl ZINC000071863268 885312934 /nfs/dbraw/zinc/31/29/34/885312934.db2.gz SMOALZNIGUETFY-UHFFFAOYSA-N -1 3 384.910 3.832 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N3c4ccccc4CC[C@H]3C)n[n-]2)o1 ZINC000919329529 885348616 /nfs/dbraw/zinc/34/86/16/885348616.db2.gz OUMDYJKZZCQYSA-CYBMUJFWSA-N -1 3 379.416 3.503 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N3c4ccccc4CC[C@H]3C)[n-]n2)o1 ZINC000919329529 885348634 /nfs/dbraw/zinc/34/86/34/885348634.db2.gz OUMDYJKZZCQYSA-CYBMUJFWSA-N -1 3 379.416 3.503 20 0 GHADHM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1ccc(Br)cc1[O-] ZINC000104254338 885349059 /nfs/dbraw/zinc/34/90/59/885349059.db2.gz ILGYUZPLZRDCOF-UHFFFAOYSA-N -1 3 389.249 3.611 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3COC[C@H]3c3ccccc3)c2)n1 ZINC000666587342 885368175 /nfs/dbraw/zinc/36/81/75/885368175.db2.gz FZYMGVYMWQLXCQ-PMACEKPBSA-N -1 3 389.455 3.780 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(SC)c(Br)c1 ZINC000861308797 885383056 /nfs/dbraw/zinc/38/30/56/885383056.db2.gz YRZGIRBDOQHMIL-UHFFFAOYSA-N -1 3 391.287 3.566 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(SC)c(Br)c1 ZINC000861308797 885383078 /nfs/dbraw/zinc/38/30/78/885383078.db2.gz YRZGIRBDOQHMIL-UHFFFAOYSA-N -1 3 391.287 3.566 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1c[nH]c2ccccc21 ZINC000614823599 885549318 /nfs/dbraw/zinc/54/93/18/885549318.db2.gz BWWAYQVXZHUBPW-QLFBSQMISA-N -1 3 394.475 3.542 20 0 GHADHM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(Cl)c1Cl ZINC000614824354 885569821 /nfs/dbraw/zinc/56/98/21/885569821.db2.gz KCYUWJWDDIXGAK-GHMZBOCLSA-N -1 3 396.274 3.796 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C[C@@H](C)O1 ZINC000747407265 885587433 /nfs/dbraw/zinc/58/74/33/885587433.db2.gz PLLHDVISUVVZSJ-ZIAGYGMSSA-N -1 3 380.897 3.754 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3C)cc1Cl ZINC000104753559 885602774 /nfs/dbraw/zinc/60/27/74/885602774.db2.gz CZYMOJFVPWPQPZ-INIZCTEOSA-N -1 3 396.871 3.712 20 0 GHADHM O=C(NCCCc1ccc(Br)cc1F)NCc1ccc([O-])c(F)c1 ZINC000303894949 885763347 /nfs/dbraw/zinc/76/33/47/885763347.db2.gz ZWCFWCQGTSJNNZ-UHFFFAOYSA-N -1 3 399.235 3.865 20 0 GHADHM CCOC(=O)COc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1OC ZINC000498833626 885888051 /nfs/dbraw/zinc/88/80/51/885888051.db2.gz ZKDPWQJTSLIFFI-UHFFFAOYSA-N -1 3 388.807 3.606 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC23CCCCC3)ccc1F ZINC001131122685 885919047 /nfs/dbraw/zinc/91/90/47/885919047.db2.gz HSKUSDIBLJRHEG-GOSISDBHSA-N -1 3 396.528 3.745 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1F ZINC000915176840 885922962 /nfs/dbraw/zinc/92/29/62/885922962.db2.gz QTYWQAXKCUFEKX-ZVZYQTTQSA-N -1 3 396.528 3.553 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC000861859016 885932925 /nfs/dbraw/zinc/93/29/25/885932925.db2.gz XDKGZKYXUOQWLN-VIFPVBQESA-N -1 3 387.274 3.705 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc2c(c1)CCCC2 ZINC000116951025 886002410 /nfs/dbraw/zinc/00/24/10/886002410.db2.gz WFFPPAPUMICUHP-IIBYNOLFSA-N -1 3 392.499 3.753 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCOc2ccc(Cl)cc2)c1 ZINC000055318351 886046602 /nfs/dbraw/zinc/04/66/02/886046602.db2.gz YFMFYZPYPSVKOU-UHFFFAOYSA-N -1 3 376.840 3.545 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000777254757 886312619 /nfs/dbraw/zinc/31/26/19/886312619.db2.gz LPMCFPRJKVZFCS-ZNMIVQPWSA-N -1 3 393.413 3.691 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000057123636 886472025 /nfs/dbraw/zinc/47/20/25/886472025.db2.gz PCOZDVGUVYMVAG-AWEZNQCLSA-N -1 3 388.489 3.940 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000057123678 886472648 /nfs/dbraw/zinc/47/26/48/886472648.db2.gz VFAZKMSMWKIXDP-AWEZNQCLSA-N -1 3 388.489 3.574 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(C(F)(F)F)nc1 ZINC000131746597 886518802 /nfs/dbraw/zinc/51/88/02/886518802.db2.gz XAUMGOLIAMMTRR-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c1[O-] ZINC000556892089 886521739 /nfs/dbraw/zinc/52/17/39/886521739.db2.gz ILXROWLLJNMIQR-IBGZPJMESA-N -1 3 382.460 3.686 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc(OC)c1[O-] ZINC000762621249 886552937 /nfs/dbraw/zinc/55/29/37/886552937.db2.gz HDMCHIONIJFODC-RBUKOAKNSA-N -1 3 399.487 3.918 20 0 GHADHM O=C([N-]CC1CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1)C(F)(F)F ZINC000282045083 886686903 /nfs/dbraw/zinc/68/69/03/886686903.db2.gz UWBCEMCAKIQMIY-UHFFFAOYSA-N -1 3 383.414 3.877 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC(C2CC2)C2CC2)CC1 ZINC000045438154 887059696 /nfs/dbraw/zinc/05/96/96/887059696.db2.gz NZOXOXDUFSSZQA-UHFFFAOYSA-N -1 3 391.899 3.594 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459324250 887354990 /nfs/dbraw/zinc/35/49/90/887354990.db2.gz KBXMTNDRDICTEQ-HIFRSBDPSA-N -1 3 383.330 3.672 20 0 GHADHM COc1cccc([C@@H]2CN(Cc3cccc([O-])c3Br)CCO2)c1 ZINC000459340112 887504267 /nfs/dbraw/zinc/50/42/67/887504267.db2.gz OYCMERUYMZGSDL-KRWDZBQOSA-N -1 3 378.266 3.737 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c(C)c1 ZINC000532672764 887579583 /nfs/dbraw/zinc/57/95/83/887579583.db2.gz VTQUSMHKOGNPND-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1F ZINC000794608107 887674316 /nfs/dbraw/zinc/67/43/16/887674316.db2.gz GKCYRRATDOOWLF-SREVYHEPSA-N -1 3 387.791 3.817 20 0 GHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000794615784 887680955 /nfs/dbraw/zinc/68/09/55/887680955.db2.gz CGQQMCDDMBUZRE-BQYQJAHWSA-N -1 3 382.283 3.775 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000133111593 887731624 /nfs/dbraw/zinc/73/16/24/887731624.db2.gz UHMCWUMLKVJVKR-UHFFFAOYSA-N -1 3 385.464 3.674 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(C)c2Br)cc1F ZINC000152483360 887813662 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20 0 GHADHM O=c1[n-]c(SCc2coc(C3CC3)n2)nc2c1cnn2Cc1ccccc1 ZINC000865371660 888317138 /nfs/dbraw/zinc/31/71/38/888317138.db2.gz GJTWEFVMGLRSLR-UHFFFAOYSA-N -1 3 379.445 3.738 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056019322 888334166 /nfs/dbraw/zinc/33/41/66/888334166.db2.gz APKCYODZILUJHO-UHFFFAOYSA-N -1 3 386.455 3.623 20 0 GHADHM COc1ccc(NCc2ccc(CC(F)(F)F)cc2)cc1[N-]S(C)(=O)=O ZINC000865496593 888387443 /nfs/dbraw/zinc/38/74/43/888387443.db2.gz BRAWIVCBJNOFGL-UHFFFAOYSA-N -1 3 388.411 3.784 20 0 GHADHM CCCNC(=O)c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459380442 888484177 /nfs/dbraw/zinc/48/41/77/888484177.db2.gz AWEDNMUFUZDLRL-UHFFFAOYSA-N -1 3 377.282 3.584 20 0 GHADHM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000796104079 913279521 /nfs/dbraw/zinc/27/95/21/913279521.db2.gz NLABIOWTDTZTOI-KSSFIOAISA-N -1 3 388.514 3.519 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C3CCC3)CCC2)cc1OC ZINC000454359537 888906102 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396.453 3.914 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3cn(C)c4ccccc34)c2)n1 ZINC000121611145 889054948 /nfs/dbraw/zinc/05/49/48/889054948.db2.gz ZTPSSAUILRLSSG-UHFFFAOYSA-N -1 3 387.439 3.775 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCCC2CC2)CC1 ZINC000532840045 889061685 /nfs/dbraw/zinc/06/16/85/889061685.db2.gz UBQVCTYMYONDMB-UHFFFAOYSA-N -1 3 379.888 3.596 20 0 GHADHM Cc1ncsc1COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000811083477 889206137 /nfs/dbraw/zinc/20/61/37/889206137.db2.gz ZMJUBWIXKBOWMP-GOSISDBHSA-N -1 3 396.468 3.762 20 0 GHADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000124702630 889729846 /nfs/dbraw/zinc/72/98/46/889729846.db2.gz TWHDSSQSLULEDM-GXTWGEPZSA-N -1 3 388.316 3.826 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)Cc2cccs2)c([O-])c1 ZINC000124740602 889744014 /nfs/dbraw/zinc/74/40/14/889744014.db2.gz YIPFRGILIDVTEV-UHFFFAOYSA-N -1 3 398.484 3.704 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1noc(-c2ccccc2)n1 ZINC000124773937 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ZINC000812329927 890539735 /nfs/dbraw/zinc/53/97/35/890539735.db2.gz OJFXTJZOOSEPGJ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1F ZINC000126505404 890568743 /nfs/dbraw/zinc/56/87/43/890568743.db2.gz MNUYYZFLKCIVFE-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1Cl ZINC000065751469 890632948 /nfs/dbraw/zinc/63/29/48/890632948.db2.gz YCPSXODPVOLXBH-MRVPVSSYSA-N -1 3 378.215 3.760 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000126681468 890644951 /nfs/dbraw/zinc/64/49/51/890644951.db2.gz GVZRSVBSHXBCMJ-FZKQIMNGSA-N -1 3 393.418 3.770 20 0 GHADHM CCc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C(C)C)cc1 ZINC001184837481 913473439 /nfs/dbraw/zinc/47/34/39/913473439.db2.gz RXDNJNJLZIZMAV-INIZCTEOSA-N -1 3 399.896 3.958 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)c(Br)nc1Cl ZINC001184842562 913478252 /nfs/dbraw/zinc/47/82/52/913478252.db2.gz VWAVSFZBLNLFNB-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM COC(=O)c1ccc(OC(=O)c2cc3ccsc3[n-]2)c(Br)c1 ZINC000917044769 890768710 /nfs/dbraw/zinc/76/87/10/890768710.db2.gz VCFDCEYWPCJZSM-UHFFFAOYSA-N -1 3 380.219 3.998 20 0 GHADHM CCc1c(C(=O)[N-]c2nc(C(C)C)ns2)nnn1-c1cccc(Cl)c1 ZINC001133406107 890879119 /nfs/dbraw/zinc/87/91/19/890879119.db2.gz GRYYAIJZPCMJSG-UHFFFAOYSA-N -1 3 376.873 3.710 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccccc1)c1csnc1-c1ccccc1 ZINC001184874447 913504860 /nfs/dbraw/zinc/50/48/60/913504860.db2.gz UZIZVLVCXUQJEI-UHFFFAOYSA-N -1 3 388.514 3.948 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cc(C(F)(F)F)co3)[n-]c(=O)c21 ZINC000871651811 890959764 /nfs/dbraw/zinc/95/97/64/890959764.db2.gz PTASGJIYNZTBAT-UHFFFAOYSA-N -1 3 399.350 3.730 20 0 GHADHM O=c1[n-]c(SC[C@@H]2C[C@H]3CCC[C@H]3O2)nc2c1cnn2Cc1ccccc1 ZINC000871679008 890969822 /nfs/dbraw/zinc/96/98/22/890969822.db2.gz STVUJOUBHGDASZ-HLLBOEOZSA-N -1 3 382.489 3.630 20 0 GHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@]2(CCc3ccccc32)C1 ZINC000872165389 891190664 /nfs/dbraw/zinc/19/06/64/891190664.db2.gz DMNBYRRZFZAVFN-HSZRJFAPSA-N -1 3 375.472 3.844 20 0 GHADHM O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cc(Cl)ccc1[O-] ZINC000067138939 891205429 /nfs/dbraw/zinc/20/54/29/891205429.db2.gz ZFRAFDHUSLNUKN-UHFFFAOYSA-N -1 3 393.877 3.997 20 0 GHADHM COC(=O)c1cc(Nc2ccc([O-])c(F)c2F)c(Br)cc1OC ZINC001212013770 891322334 /nfs/dbraw/zinc/32/23/34/891322334.db2.gz JAOZDJWMHNUGLY-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM Cc1ccccc1C1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000813282852 891468153 /nfs/dbraw/zinc/46/81/53/891468153.db2.gz BMROVNIWLOQDTA-MRXNPFEDSA-N -1 3 396.453 3.724 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(c3nccc4sccc43)CC2)c1 ZINC000614935373 891612683 /nfs/dbraw/zinc/61/26/83/891612683.db2.gz SGSRFRIGZJXKSF-UHFFFAOYSA-N -1 3 385.514 3.686 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(NC(=O)NC(C)C)cc3)c[n-]c12 ZINC000161794702 891818272 /nfs/dbraw/zinc/81/82/72/891818272.db2.gz JVAPIEVCFRTKRL-UHFFFAOYSA-N -1 3 396.422 3.758 20 0 GHADHM CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000813726096 891901375 /nfs/dbraw/zinc/90/13/75/891901375.db2.gz XCLPZITUUZCCLO-OAHLLOKOSA-N -1 3 384.432 3.535 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(F)cc1Br ZINC001185057920 913604323 /nfs/dbraw/zinc/60/43/23/913604323.db2.gz OZLOALPADCBRLB-UHFFFAOYSA-N -1 3 398.297 3.907 20 0 GHADHM O=C(Cc1ccc(Br)cc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC001133907476 891926293 /nfs/dbraw/zinc/92/62/93/891926293.db2.gz YEIOIIVDKZNEAF-UHFFFAOYSA-N -1 3 381.617 3.662 20 0 GHADHM Cc1nccc(C(F)(F)F)c1C(=O)Nc1ncc([O-])cc1Br ZINC001185037965 913614877 /nfs/dbraw/zinc/61/48/77/913614877.db2.gz XXYKHEJKACWRLZ-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000813877410 892057630 /nfs/dbraw/zinc/05/76/30/892057630.db2.gz VDERAANGJUXBCM-FCHUYYIVSA-N -1 3 390.439 3.555 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1 ZINC000874909650 892370006 /nfs/dbraw/zinc/37/00/06/892370006.db2.gz LGMBGSPDQKNBON-IQMFZBJNSA-N -1 3 396.535 3.794 20 0 GHADHM COCO[C@@H](C)c1cc(F)c(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874930071 892379133 /nfs/dbraw/zinc/37/91/33/892379133.db2.gz WDMSSLZMYCLWDI-MNOXCQKJSA-N -1 3 390.230 3.594 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263154039 892454145 /nfs/dbraw/zinc/45/41/45/892454145.db2.gz PURQEXJQSCUHQN-RCCFBDPRSA-N -1 3 386.536 3.708 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3NCc3ccco3)nc21 ZINC000162443168 892472698 /nfs/dbraw/zinc/47/26/98/892472698.db2.gz TYZHZZQJIBEPOU-UHFFFAOYSA-N -1 3 390.399 3.807 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000263308981 892516955 /nfs/dbraw/zinc/51/69/55/892516955.db2.gz HSFHKEZWPIUJLV-YVWKXTFCSA-N -1 3 386.536 3.690 20 0 GHADHM Cc1cc(Br)cn2c(CN3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cnc12 ZINC000263512335 892583239 /nfs/dbraw/zinc/58/32/39/892583239.db2.gz NTGCACUDSYRQON-KCXAZCMYSA-N -1 3 392.297 3.623 20 0 GHADHM Cc1csc([C@H]2CCN(C(=O)NCc3ccc([O-])c(Br)c3)C2)n1 ZINC000875390286 892587012 /nfs/dbraw/zinc/58/70/12/892587012.db2.gz AAKOOLPVYLAFJC-LBPRGKRZSA-N -1 3 396.310 3.619 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2nc(NCc3ccco3)ncc2Cl)s1 ZINC000917858141 892704484 /nfs/dbraw/zinc/70/44/84/892704484.db2.gz XVMGEECJDLNFQC-UHFFFAOYSA-N -1 3 392.872 3.736 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185135494 913691088 /nfs/dbraw/zinc/69/10/88/913691088.db2.gz TXNHQNJMPLRJFH-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c(=O)[n-]1 ZINC000068807465 892786985 /nfs/dbraw/zinc/78/69/85/892786985.db2.gz PPHMJJKGKUSOQL-KUHUBIRLSA-N -1 3 383.492 3.663 20 0 GHADHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cccc([O-])c3Cl)c2)C1=O ZINC000645178652 913731820 /nfs/dbraw/zinc/73/18/20/913731820.db2.gz XFVJEKOPIULQSD-NRFANRHFSA-N -1 3 399.878 3.560 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1NC(=O)C1CC1 ZINC000815008340 893332477 /nfs/dbraw/zinc/33/24/77/893332477.db2.gz VLMPFAUDYAGIBY-UHFFFAOYSA-N -1 3 375.222 3.756 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)n[n-]2)o1 ZINC000815192015 893538971 /nfs/dbraw/zinc/53/89/71/893538971.db2.gz ANFRVXIZXPNKON-DJJJIMSYSA-N -1 3 397.406 3.636 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)[n-]n2)o1 ZINC000815192015 893538988 /nfs/dbraw/zinc/53/89/88/893538988.db2.gz ANFRVXIZXPNKON-DJJJIMSYSA-N -1 3 397.406 3.636 20 0 GHADHM CO[C@H](C)c1nc(C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)cs1 ZINC000934351226 893563259 /nfs/dbraw/zinc/56/32/59/893563259.db2.gz QLHUCIWSEQIJAR-SECBINFHSA-N -1 3 375.828 3.616 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3coc4c3ccc(F)c4F)nc21 ZINC001134941006 893647171 /nfs/dbraw/zinc/64/71/71/893647171.db2.gz RMCNCNWOQIPQPJ-UHFFFAOYSA-N -1 3 399.353 3.945 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCCc4ccc(OC)cc43)nc21 ZINC001134941277 893655667 /nfs/dbraw/zinc/65/56/67/893655667.db2.gz YDYTZWJUWTVUNL-OAHLLOKOSA-N -1 3 393.443 3.807 20 0 GHADHM O=c1cc(CN[C@H](c2cccs2)C2(CO)CCC2)nc(-c2ccccc2)[n-]1 ZINC000459513115 893671219 /nfs/dbraw/zinc/67/12/19/893671219.db2.gz OFMHWPARWPUIOK-LJQANCHMSA-N -1 3 381.501 3.904 20 0 GHADHM CO[C@H](C)c1nc(CN=c2ncc3scc(Br)c3[n-]2)cs1 ZINC000563427776 893718609 /nfs/dbraw/zinc/71/86/09/893718609.db2.gz TZPPEVAGYXYMSM-SSDOTTSWSA-N -1 3 385.312 3.652 20 0 GHADHM CN(C(=O)[C@@H]1CCN(Cc2cccc([O-])c2Br)C1)c1ccccc1 ZINC000459522249 893721382 /nfs/dbraw/zinc/72/13/82/893721382.db2.gz WPMGGVFNOSXRSJ-OAHLLOKOSA-N -1 3 389.293 3.640 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3ncccc3F)CC2)c1Br ZINC000459525577 893726759 /nfs/dbraw/zinc/72/67/59/893726759.db2.gz VDIYNDPGEQSPLD-UHFFFAOYSA-N -1 3 381.245 3.732 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2cccc([O-])c2Br)[C@H]1n1cccn1 ZINC000459573515 893843627 /nfs/dbraw/zinc/84/36/27/893843627.db2.gz RAIDQFPKNYORRL-YSVLISHTSA-N -1 3 394.313 3.638 20 0 GHADHM O=c1[n-]c(CN2CCc3sccc3[C@H]2c2cccs2)nc2c1COCC2 ZINC000877894521 893877936 /nfs/dbraw/zinc/87/79/36/893877936.db2.gz POPOLNWHEPSLEJ-SFHVURJKSA-N -1 3 385.514 3.526 20 0 GHADHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000288648366 913828292 /nfs/dbraw/zinc/82/82/92/913828292.db2.gz XYRHGMHRXNXJJO-CYBMUJFWSA-N -1 3 382.432 3.650 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878219378 894102686 /nfs/dbraw/zinc/10/26/86/894102686.db2.gz KPUPCNUHKPXFSO-MRXNPFEDSA-N -1 3 390.487 3.858 20 0 GHADHM CC(C)(C)c1ccc([C@H](NCc2nc3c(c(=O)[n-]2)COCC3)C(F)(F)F)cc1 ZINC000878219557 894102967 /nfs/dbraw/zinc/10/29/67/894102967.db2.gz NVZCOJZWCXDTNY-KRWDZBQOSA-N -1 3 395.425 3.946 20 0 GHADHM CC(F)(F)C(=O)[N-][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000815717861 894154315 /nfs/dbraw/zinc/15/43/15/894154315.db2.gz DZJMXIYZBVRPTH-HNNXBMFYSA-N -1 3 387.835 3.604 20 0 GHADHM CSc1nsc([N-]C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)n1 ZINC000127123708 894312864 /nfs/dbraw/zinc/31/28/64/894312864.db2.gz KBVHPIYNWUCNFR-UHFFFAOYSA-N -1 3 379.898 3.719 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC001135296467 894332936 /nfs/dbraw/zinc/33/29/36/894332936.db2.gz UVBOFDOLLNJPLX-GOSISDBHSA-N -1 3 386.517 3.778 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1 ZINC000537196217 894526397 /nfs/dbraw/zinc/52/63/97/894526397.db2.gz AKYSOEYWGVHYLK-UHFFFAOYSA-N -1 3 393.468 3.973 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](OC(=O)c1cc2ccsc2[n-]1)C(F)(F)F ZINC000816309638 894685027 /nfs/dbraw/zinc/68/50/27/894685027.db2.gz AZSPIUMROJPACZ-JTQLQIEISA-N -1 3 378.372 3.842 20 0 GHADHM COc1ccc(C)cc1C1(CNC(=O)c2cc([O-])ccc2Cl)CCOCC1 ZINC000564259442 894784078 /nfs/dbraw/zinc/78/40/78/894784078.db2.gz NIGPXUUZFZOGQH-UHFFFAOYSA-N -1 3 389.879 3.841 20 0 GHADHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC001135612592 894889182 /nfs/dbraw/zinc/88/91/82/894889182.db2.gz CMBHMOFTWHMNTR-KRWDZBQOSA-N -1 3 378.394 3.978 20 0 GHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000816561550 894945957 /nfs/dbraw/zinc/94/59/57/894945957.db2.gz BSRJHWFMJNZKBP-GOSISDBHSA-N -1 3 398.469 3.809 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3c(F)ccc([O-])c3F)C[C@@H]21 ZINC000816567629 894948939 /nfs/dbraw/zinc/94/89/39/894948939.db2.gz HUARVRMXIHCYPT-HEHGZKQESA-N -1 3 382.451 3.796 20 0 GHADHM O=C(NC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)OCc1ccccc1 ZINC000816595148 894959216 /nfs/dbraw/zinc/95/92/16/894959216.db2.gz BDTDXLBGUZJGQR-INIZCTEOSA-N -1 3 390.430 3.809 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000816621092 894979019 /nfs/dbraw/zinc/97/90/19/894979019.db2.gz YSQCNHRVTYHHCW-CQSZACIVSA-N -1 3 376.453 3.571 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)c1[O-] ZINC000816620749 894980702 /nfs/dbraw/zinc/98/07/02/894980702.db2.gz JUHZYYKHQHCYRB-UHFFFAOYSA-N -1 3 376.453 3.618 20 0 GHADHM Cc1ccc2c(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)cc(=O)oc2c1 ZINC000127751056 895055637 /nfs/dbraw/zinc/05/56/37/895055637.db2.gz PSXVZGWBTXDWLQ-UHFFFAOYSA-N -1 3 377.440 3.902 20 0 GHADHM COc1ccc(CCN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])cc1 ZINC000564577022 895093805 /nfs/dbraw/zinc/09/38/05/895093805.db2.gz NKBYAJDTTXPYEW-GOSISDBHSA-N -1 3 390.277 3.512 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000564691459 895187051 /nfs/dbraw/zinc/18/70/51/895187051.db2.gz YZKFSIHBUQBJOV-UHFFFAOYSA-N -1 3 385.742 3.831 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@H](C(F)(F)F)O1 ZINC000880056824 895483650 /nfs/dbraw/zinc/48/36/50/895483650.db2.gz LAKRAIZCCCUOQR-GXFFZTMASA-N -1 3 381.354 3.623 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCc2ccc(Cl)cc21 ZINC000826161823 895685299 /nfs/dbraw/zinc/68/52/99/895685299.db2.gz BELDPENGDVNMIH-INIZCTEOSA-N -1 3 385.855 3.645 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCc2ccc(Cl)cc21 ZINC000826161823 895685303 /nfs/dbraw/zinc/68/53/03/895685303.db2.gz BELDPENGDVNMIH-INIZCTEOSA-N -1 3 385.855 3.645 20 0 GHADHM COc1nsc(C(=O)[N-]c2c(F)cccc2NC2CC2)c1Br ZINC001137156324 895735879 /nfs/dbraw/zinc/73/58/79/895735879.db2.gz BOWWYYBNVIJRRX-UHFFFAOYSA-N -1 3 386.246 3.880 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826184388 895913263 /nfs/dbraw/zinc/91/32/63/895913263.db2.gz VGQGLKVZUZUWCY-UHFFFAOYSA-N -1 3 398.385 3.677 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826184388 895913270 /nfs/dbraw/zinc/91/32/70/895913270.db2.gz VGQGLKVZUZUWCY-UHFFFAOYSA-N -1 3 398.385 3.677 20 0 GHADHM C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(N)cc1[O-])OCCO3 ZINC000817910387 895957737 /nfs/dbraw/zinc/95/77/37/895957737.db2.gz FHANFFBHTLIMKC-AWEZNQCLSA-N -1 3 394.471 3.774 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1cc(F)cc(F)c1 ZINC001136064325 895965411 /nfs/dbraw/zinc/96/54/11/895965411.db2.gz JXJNJKXJWHJZRI-UHFFFAOYSA-N -1 3 397.337 3.523 20 0 GHADHM COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc(N)cc2[O-])cc1OC ZINC000817930320 895979357 /nfs/dbraw/zinc/97/93/57/895979357.db2.gz APVQBYFTPGNFDC-QGZVFWFLSA-N -1 3 384.476 3.619 20 0 GHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C2CC2)no1 ZINC000645731671 914039789 /nfs/dbraw/zinc/03/97/89/914039789.db2.gz XDFBTTREHNGLGC-QGZVFWFLSA-N -1 3 377.491 3.505 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001136144805 896168961 /nfs/dbraw/zinc/16/89/61/896168961.db2.gz HWLSFTICIGQCLH-NWDGAFQWSA-N -1 3 378.416 3.755 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)ncc1C(F)(F)F ZINC001185727444 914046365 /nfs/dbraw/zinc/04/63/65/914046365.db2.gz AFWDCCLPRGKHIB-UHFFFAOYSA-N -1 3 379.107 3.960 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2nccc(C)c2Br)cc1C ZINC000566491516 896339409 /nfs/dbraw/zinc/33/94/09/896339409.db2.gz TXHRXBHWYAPVOH-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000826218582 896395702 /nfs/dbraw/zinc/39/57/02/896395702.db2.gz GUHIDAOOHATTHV-VFNWGFHPSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000826218582 896395715 /nfs/dbraw/zinc/39/57/15/896395715.db2.gz GUHIDAOOHATTHV-VFNWGFHPSA-N -1 3 386.459 3.711 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN([C@H](C)C(F)(F)F)CC3)c2c1 ZINC000566621657 896428724 /nfs/dbraw/zinc/42/87/24/896428724.db2.gz ITIOTWLCHMTCAW-CYBMUJFWSA-N -1 3 381.398 3.623 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3C)c(F)c2)sc1Cl ZINC001185794545 914088936 /nfs/dbraw/zinc/08/89/36/914088936.db2.gz NDSLSMCQDYPFJI-UHFFFAOYSA-N -1 3 399.900 3.822 20 0 GHADHM Cc1nnc([C@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)s1 ZINC000826262425 896750364 /nfs/dbraw/zinc/75/03/64/896750364.db2.gz OKOKTRPMJPCSQA-LURJTMIESA-N -1 3 387.416 3.602 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001137177518 896764955 /nfs/dbraw/zinc/76/49/55/896764955.db2.gz QMLCDYJMKDZZGJ-UHFFFAOYSA-N -1 3 399.834 3.610 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826273733 896862308 /nfs/dbraw/zinc/86/23/08/896862308.db2.gz REDSINSVLVSBSO-LBPRGKRZSA-N -1 3 394.460 3.853 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826273733 896862313 /nfs/dbraw/zinc/86/23/13/896862313.db2.gz REDSINSVLVSBSO-LBPRGKRZSA-N -1 3 394.460 3.853 20 0 GHADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc([C@@H](F)C(F)(F)F)cc2)CCOC1 ZINC000882795617 896993269 /nfs/dbraw/zinc/99/32/69/896993269.db2.gz QAWBIJWGGJIIMQ-CABCVRRESA-N -1 3 399.406 3.585 20 0 GHADHM Cn1ccnc1-c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001136303012 897161050 /nfs/dbraw/zinc/16/10/50/897161050.db2.gz GIDMIXSLFVBNSS-UHFFFAOYSA-N -1 3 378.819 3.834 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820293178 897252147 /nfs/dbraw/zinc/25/21/47/897252147.db2.gz ICSTYCSABKCERE-JTQLQIEISA-N -1 3 375.404 3.512 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820293178 897252155 /nfs/dbraw/zinc/25/21/55/897252155.db2.gz ICSTYCSABKCERE-JTQLQIEISA-N -1 3 375.404 3.512 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357107 897290369 /nfs/dbraw/zinc/29/03/69/897290369.db2.gz DVKCBXMJHGSFOX-CVAIRZPRSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357107 897290386 /nfs/dbraw/zinc/29/03/86/897290386.db2.gz DVKCBXMJHGSFOX-CVAIRZPRSA-N -1 3 390.491 3.638 20 0 GHADHM CC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)CC1 ZINC000820612869 897413314 /nfs/dbraw/zinc/41/33/14/897413314.db2.gz MCRKECJBKVECHA-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM CC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)CC1 ZINC000820612869 897413317 /nfs/dbraw/zinc/41/33/17/897413317.db2.gz MCRKECJBKVECHA-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000131458702 897469809 /nfs/dbraw/zinc/46/98/09/897469809.db2.gz HFBCBRUWAOKSSR-UHFFFAOYSA-N -1 3 379.913 3.748 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2cc3ccccc3nc2Cl)cc1OC ZINC000131576182 897522631 /nfs/dbraw/zinc/52/26/31/897522631.db2.gz SAOMIAZPTWSYIF-UHFFFAOYSA-N -1 3 386.835 3.696 20 0 GHADHM COC(=O)c1cnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c(Cl)c1 ZINC000820798928 897558512 /nfs/dbraw/zinc/55/85/12/897558512.db2.gz QABYQJMRGPBPAL-VOTSOKGWSA-N -1 3 387.244 3.588 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCC(F)(F)C3)s2)cs1 ZINC000568103016 897596461 /nfs/dbraw/zinc/59/64/61/897596461.db2.gz DAIOIZYUUZTLFZ-JTQLQIEISA-N -1 3 378.491 3.894 20 0 GHADHM Cn1ncc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1 ZINC000821032853 897674888 /nfs/dbraw/zinc/67/48/88/897674888.db2.gz WVJMXARWBPHICB-YHYXMXQVSA-N -1 3 375.866 3.991 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3cc(Cl)ccc3Cl)n2N)n1 ZINC000132424752 897783824 /nfs/dbraw/zinc/78/38/24/897783824.db2.gz FNEUEPNSWAOOPX-MRVPVSSYSA-N -1 3 397.291 3.623 20 0 GHADHM CC(=O)N1CC[C@@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c2ccccc21 ZINC000821340186 897842922 /nfs/dbraw/zinc/84/29/22/897842922.db2.gz TXODUBDGVWAPGH-MRXNPFEDSA-N -1 3 380.341 3.671 20 0 GHADHM Cc1cccc(Oc2cc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccn2)c1C ZINC000568647458 898006675 /nfs/dbraw/zinc/00/66/75/898006675.db2.gz RDOHULMMXNINGG-UHFFFAOYSA-N -1 3 390.443 3.794 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289497305 914212750 /nfs/dbraw/zinc/21/27/50/914212750.db2.gz PQIZDIDBMPKGJW-LSDHHAIUSA-N -1 3 399.457 3.528 20 0 GHADHM COCc1ccc(SCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)cc1 ZINC000821696175 898031754 /nfs/dbraw/zinc/03/17/54/898031754.db2.gz ZXSGAUDUFYGLGG-UHFFFAOYSA-N -1 3 392.488 3.800 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000821777201 898070678 /nfs/dbraw/zinc/07/06/78/898070678.db2.gz CBQORGKAMVEWKU-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000821777201 898070687 /nfs/dbraw/zinc/07/06/87/898070687.db2.gz CBQORGKAMVEWKU-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM Cc1coc2ccc(NC(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)cc12 ZINC000289515731 914218945 /nfs/dbraw/zinc/21/89/45/914218945.db2.gz ANQONIHEHFNANU-GFCCVEGCSA-N -1 3 383.370 3.664 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000821822117 898105897 /nfs/dbraw/zinc/10/58/97/898105897.db2.gz KIVQGJPIHOSXOL-UHFFFAOYSA-N -1 3 381.501 3.773 20 0 GHADHM C[C@H]1CC2(CCC2)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000568830769 898143487 /nfs/dbraw/zinc/14/34/87/898143487.db2.gz UQISEEBPRUKHEV-NSHDSACASA-N -1 3 375.266 3.695 20 0 GHADHM FC(F)(F)[C@H](NCCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826367215 898151506 /nfs/dbraw/zinc/15/15/06/898151506.db2.gz PXWLYJLLHYYNLA-OAHLLOKOSA-N -1 3 397.788 3.792 20 0 GHADHM FC(F)(F)[C@H](NCCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826367215 898151511 /nfs/dbraw/zinc/15/15/11/898151511.db2.gz PXWLYJLLHYYNLA-OAHLLOKOSA-N -1 3 397.788 3.792 20 0 GHADHM Cc1cc(C(=O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)n1C1CC1 ZINC000822159677 898238688 /nfs/dbraw/zinc/23/86/88/898238688.db2.gz CGKWVGFBDMYRNO-UHFFFAOYSA-N -1 3 392.507 3.713 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)C1CC1 ZINC000822205859 898254360 /nfs/dbraw/zinc/25/43/60/898254360.db2.gz KZYCRNMFULJYNF-CQSZACIVSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C1CC1 ZINC000822205859 898254372 /nfs/dbraw/zinc/25/43/72/898254372.db2.gz KZYCRNMFULJYNF-CQSZACIVSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000822211954 898257778 /nfs/dbraw/zinc/25/77/78/898257778.db2.gz VIMMJMVHWOBVTC-HWWDLCQESA-N -1 3 390.447 3.737 20 0 GHADHM Cc1cc([O-])c(NC(=O)Nc2ccc3c(c2)OCCO3)cc1Br ZINC001185977584 914240404 /nfs/dbraw/zinc/24/04/04/914240404.db2.gz SHIPIEWGZBQCBJ-UHFFFAOYSA-N -1 3 379.210 3.878 20 0 GHADHM C[C@H]1CCN(Cc2cc(-c3ccccc3)no2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788260 898370139 /nfs/dbraw/zinc/37/01/39/898370139.db2.gz JSLHPCDPLZKQQC-DCGLDWPTSA-N -1 3 381.398 3.619 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800017567 898506068 /nfs/dbraw/zinc/50/60/68/898506068.db2.gz LSCIQEOEBVPWQE-AWEZNQCLSA-N -1 3 395.684 3.775 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1cccc(C)c1C ZINC000800110351 898614101 /nfs/dbraw/zinc/61/41/01/898614101.db2.gz KMABMMMMQRCSBJ-HYSAVQALSA-N -1 3 391.464 3.637 20 0 GHADHM Fc1cccc(F)c1CCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826377171 898656912 /nfs/dbraw/zinc/65/69/12/898656912.db2.gz HTNFSNYGNTULAS-HNNXBMFYSA-N -1 3 383.324 3.581 20 0 GHADHM Fc1cccc(F)c1CCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826377171 898656919 /nfs/dbraw/zinc/65/69/19/898656919.db2.gz HTNFSNYGNTULAS-HNNXBMFYSA-N -1 3 383.324 3.581 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2ccccc2)CCCCCC1 ZINC001136655230 898782952 /nfs/dbraw/zinc/78/29/52/898782952.db2.gz MIMNPQXGKDPCBP-UHFFFAOYSA-N -1 3 375.476 3.775 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2)CCCCCC1 ZINC001136655230 898782959 /nfs/dbraw/zinc/78/29/59/898782959.db2.gz MIMNPQXGKDPCBP-UHFFFAOYSA-N -1 3 375.476 3.775 20 0 GHADHM C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000823025250 898819822 /nfs/dbraw/zinc/81/98/22/898819822.db2.gz NNVXUHDJKLEYEW-AWEZNQCLSA-N -1 3 378.432 3.792 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(C)C ZINC000112187146 898855491 /nfs/dbraw/zinc/85/54/91/898855491.db2.gz AXQJMZKDTAYIKA-FQEVSTJZSA-N -1 3 381.476 3.887 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000112266874 898863773 /nfs/dbraw/zinc/86/37/73/898863773.db2.gz ZPBBYHRYFVKSID-UHFFFAOYSA-N -1 3 399.509 3.648 20 0 GHADHM O=c1[n-]c([C@@H]2CCCN(CC/C=C\c3ccc(Br)cc3)C2)n[nH]1 ZINC000569763466 898933634 /nfs/dbraw/zinc/93/36/34/898933634.db2.gz CZCVWXKFUASKIO-YZUOEBHYSA-N -1 3 377.286 3.556 20 0 GHADHM CC(C)(C)OC(=O)NCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000155808232 899095955 /nfs/dbraw/zinc/09/59/55/899095955.db2.gz VXOABNDCHYBRCB-UHFFFAOYSA-N -1 3 376.375 3.558 20 0 GHADHM O=[S@@](Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccc1 ZINC000823614443 899132156 /nfs/dbraw/zinc/13/21/56/899132156.db2.gz POBSZYOSKJQHSY-NDEPHWFRSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@@](Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000823614443 899132165 /nfs/dbraw/zinc/13/21/65/899132165.db2.gz POBSZYOSKJQHSY-NDEPHWFRSA-N -1 3 389.484 3.787 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)OC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000646229529 914335429 /nfs/dbraw/zinc/33/54/29/914335429.db2.gz PJEQPKUBKYYOHD-AWEZNQCLSA-N -1 3 382.464 3.723 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC001136799526 899325953 /nfs/dbraw/zinc/32/59/53/899325953.db2.gz SUMXTMQTLMNAKU-DVOMOZLQSA-N -1 3 395.459 3.547 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000824148465 899413282 /nfs/dbraw/zinc/41/32/82/899413282.db2.gz WAQIAQMYNDLHIC-AWEZNQCLSA-N -1 3 384.871 3.745 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000824148465 899413287 /nfs/dbraw/zinc/41/32/87/899413287.db2.gz WAQIAQMYNDLHIC-AWEZNQCLSA-N -1 3 384.871 3.745 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000824153925 899429822 /nfs/dbraw/zinc/42/98/22/899429822.db2.gz BWCVITOMGUTMAV-FLIBITNWSA-N -1 3 379.382 3.964 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-][C@H](CO)c2csc(C(C)C)n2)cnc1Cl ZINC000824207922 899454546 /nfs/dbraw/zinc/45/45/46/899454546.db2.gz AVKRWVPCFJAHBS-LLVKDONJSA-N -1 3 389.855 3.565 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1-c1nnn[n-]1 ZINC000824329972 899558992 /nfs/dbraw/zinc/55/89/92/899558992.db2.gz ZKSHMAAXTDYJKP-YSVLISHTSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000824329972 899559005 /nfs/dbraw/zinc/55/90/05/899559005.db2.gz ZKSHMAAXTDYJKP-YSVLISHTSA-N -1 3 384.484 3.696 20 0 GHADHM C[C@@H](NC(=O)CCc1ccoc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480516 899626624 /nfs/dbraw/zinc/62/66/24/899626624.db2.gz XQNJGTLJSZOADH-OAHLLOKOSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@@H](NC(=O)CCc1ccoc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480516 899626632 /nfs/dbraw/zinc/62/66/32/899626632.db2.gz XQNJGTLJSZOADH-OAHLLOKOSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824521879 899656480 /nfs/dbraw/zinc/65/64/80/899656480.db2.gz OBHGLQOTOVMBIH-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824521879 899656484 /nfs/dbraw/zinc/65/64/84/899656484.db2.gz OBHGLQOTOVMBIH-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)c(F)c1F ZINC001186228882 914372946 /nfs/dbraw/zinc/37/29/46/914372946.db2.gz BIPASTWUBXFOSN-UHFFFAOYSA-N -1 3 390.411 3.939 20 0 GHADHM C[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824724049 899789073 /nfs/dbraw/zinc/78/90/73/899789073.db2.gz XSWBNRGFPVVGSE-ZETCQYMHSA-N -1 3 385.733 3.785 20 0 GHADHM C[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824724049 899789084 /nfs/dbraw/zinc/78/90/84/899789084.db2.gz XSWBNRGFPVVGSE-ZETCQYMHSA-N -1 3 385.733 3.785 20 0 GHADHM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1C ZINC000571248689 899801115 /nfs/dbraw/zinc/80/11/15/899801115.db2.gz YTMQOXURKJFNLD-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000333012406 899891623 /nfs/dbraw/zinc/89/16/23/899891623.db2.gz UMVFUOOPZVJFKZ-KRWDZBQOSA-N -1 3 387.277 3.695 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824937946 899898031 /nfs/dbraw/zinc/89/80/31/899898031.db2.gz SEWCDCVARVIBJJ-YGRLFVJLSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824937946 899898043 /nfs/dbraw/zinc/89/80/43/899898043.db2.gz SEWCDCVARVIBJJ-YGRLFVJLSA-N -1 3 399.442 3.673 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000333030256 899903978 /nfs/dbraw/zinc/90/39/78/899903978.db2.gz HJGJCAVUZSRRJF-KSFYIVLOSA-N -1 3 383.444 3.595 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825044386 899949033 /nfs/dbraw/zinc/94/90/33/899949033.db2.gz PNIVLCWUUJVIMY-SECBINFHSA-N -1 3 387.431 3.671 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825044386 899949037 /nfs/dbraw/zinc/94/90/37/899949037.db2.gz PNIVLCWUUJVIMY-SECBINFHSA-N -1 3 387.431 3.671 20 0 GHADHM CCCCC[C@H](CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825265699 900060492 /nfs/dbraw/zinc/06/04/92/900060492.db2.gz ACOBVGWBMHJRFA-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825291543 900074691 /nfs/dbraw/zinc/07/46/91/900074691.db2.gz SRHCBOVJLSQOOR-UHFFFAOYSA-N -1 3 393.373 3.678 20 0 GHADHM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825291543 900074698 /nfs/dbraw/zinc/07/46/98/900074698.db2.gz SRHCBOVJLSQOOR-UHFFFAOYSA-N -1 3 393.373 3.678 20 0 GHADHM CCCCc1noc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000825296610 900076728 /nfs/dbraw/zinc/07/67/28/900076728.db2.gz QIJJMQBNVFOBOA-UHFFFAOYSA-N -1 3 384.387 3.903 20 0 GHADHM CCCCc1noc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000825296610 900076740 /nfs/dbraw/zinc/07/67/40/900076740.db2.gz QIJJMQBNVFOBOA-UHFFFAOYSA-N -1 3 384.387 3.903 20 0 GHADHM CCCOc1ccccc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825341822 900106454 /nfs/dbraw/zinc/10/64/54/900106454.db2.gz KXHHIWRCJALJQI-UHFFFAOYSA-N -1 3 389.463 3.668 20 0 GHADHM CCCOc1ccccc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825341822 900106460 /nfs/dbraw/zinc/10/64/60/900106460.db2.gz KXHHIWRCJALJQI-UHFFFAOYSA-N -1 3 389.463 3.668 20 0 GHADHM CCN(C(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381132 900134750 /nfs/dbraw/zinc/13/47/50/900134750.db2.gz ZVTTUPMZKUCFNR-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381132 900134756 /nfs/dbraw/zinc/13/47/56/900134756.db2.gz ZVTTUPMZKUCFNR-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(Br)n1 ZINC000135244432 900208661 /nfs/dbraw/zinc/20/86/61/900208661.db2.gz ZYFIUKVBCMDLMF-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000843887195 900291034 /nfs/dbraw/zinc/29/10/34/900291034.db2.gz VBCRHABCZJTGNN-OAHLLOKOSA-N -1 3 388.464 3.571 20 0 GHADHM CCCCc1ncc(CN2C[C@H](CO)CC[C@@H]2C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143749103 900475129 /nfs/dbraw/zinc/47/51/29/900475129.db2.gz ZPCHRYRHWWUIMI-PKOBYXMFSA-N -1 3 399.535 3.565 20 0 GHADHM CCCCc1ncc(CN2CC[C@@H](C)[C@@H](O)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748554 900475379 /nfs/dbraw/zinc/47/53/79/900475379.db2.gz RZYNBIJEZZFZRB-UTKZUKDTSA-N -1 3 399.535 3.565 20 0 GHADHM CCCCc1ncc(CN(CC)CC(C)(C)O)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143754554 900503251 /nfs/dbraw/zinc/50/32/51/900503251.db2.gz MXSXGVKILRKHQU-UHFFFAOYSA-N -1 3 387.524 3.565 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C12CCCC2 ZINC000844127522 900510620 /nfs/dbraw/zinc/51/06/20/900510620.db2.gz PWHVWJPOBBIVFU-QGZVFWFLSA-N -1 3 392.471 3.512 20 0 GHADHM CCN(CCOc1ccc(Br)cc1)Cc1cc(C(=O)[O-])c(C)o1 ZINC000573452554 900516097 /nfs/dbraw/zinc/51/60/97/900516097.db2.gz UDVGKPUEVPPBRV-UHFFFAOYSA-N -1 3 382.254 3.950 20 0 GHADHM O=C(Nc1ncc(C2CCCCC2)s1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826460354 900670773 /nfs/dbraw/zinc/67/07/73/900670773.db2.gz YZDSWMBGNHNMFQ-UHFFFAOYSA-N -1 3 389.872 3.672 20 0 GHADHM O=C(Nc1ncc(C2CCCCC2)s1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826460354 900670788 /nfs/dbraw/zinc/67/07/88/900670788.db2.gz YZDSWMBGNHNMFQ-UHFFFAOYSA-N -1 3 389.872 3.672 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1coc(-c2ccccc2Cl)n1 ZINC000826467324 900708049 /nfs/dbraw/zinc/70/80/49/900708049.db2.gz QYKLGJVVBAZGAM-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1coc(-c2ccccc2Cl)n1 ZINC000826467324 900708059 /nfs/dbraw/zinc/70/80/59/900708059.db2.gz QYKLGJVVBAZGAM-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c1F ZINC000574123593 900783381 /nfs/dbraw/zinc/78/33/81/900783381.db2.gz SMWWNCUCJRCKFX-AWEZNQCLSA-N -1 3 375.387 3.834 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC(Cc2ccccc2)C1 ZINC000826474256 900815622 /nfs/dbraw/zinc/81/56/22/900815622.db2.gz IJBCRUFSUUFVPH-UHFFFAOYSA-N -1 3 395.466 3.848 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC(Cc2ccccc2)C1 ZINC000826474256 900815630 /nfs/dbraw/zinc/81/56/30/900815630.db2.gz IJBCRUFSUUFVPH-UHFFFAOYSA-N -1 3 395.466 3.848 20 0 GHADHM COc1cc[n-]c(=NNC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)n1 ZINC000046365626 900842527 /nfs/dbraw/zinc/84/25/27/900842527.db2.gz MYWMGFIQLKRVJS-UHFFFAOYSA-N -1 3 394.218 3.512 20 0 GHADHM O=C([N-]c1cccc(C(=O)OCc2ccccc2)c1)c1nnc(-c2ccco2)o1 ZINC001144025877 900948878 /nfs/dbraw/zinc/94/88/78/900948878.db2.gz GBZJUYJJIPGKSY-UHFFFAOYSA-N -1 3 389.367 3.939 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCCSCc2cccc3ccccc32)c(=O)[n-]1 ZINC000065422263 900980028 /nfs/dbraw/zinc/98/00/28/900980028.db2.gz WKAMMAXQIUIIEK-UHFFFAOYSA-N -1 3 395.528 3.522 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)CF)ccc2C)c(C)c1 ZINC000646422653 914505099 /nfs/dbraw/zinc/50/50/99/914505099.db2.gz AXMCAOXPKBHVIU-INIZCTEOSA-N -1 3 392.496 3.809 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000886544438 901144770 /nfs/dbraw/zinc/14/47/70/901144770.db2.gz OYKSWEROTNRAQW-UHFFFAOYSA-N -1 3 381.407 3.530 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000138839901 901249482 /nfs/dbraw/zinc/24/94/82/901249482.db2.gz RHSDPPAUSSUQOC-UHFFFAOYSA-N -1 3 376.478 3.821 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)CCCC(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000575909010 901458179 /nfs/dbraw/zinc/45/81/79/901458179.db2.gz WIEWITUSRFGIPZ-OAHLLOKOSA-N -1 3 380.514 3.574 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)c1C ZINC000576021520 901595591 /nfs/dbraw/zinc/59/55/91/901595591.db2.gz ZEBMVTBWPGHQPP-UHFFFAOYSA-N -1 3 388.489 3.651 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C4CCC4)CCC3)cs2)c1 ZINC000576599148 902118782 /nfs/dbraw/zinc/11/87/82/902118782.db2.gz YNYKVEZDUPDHMT-UHFFFAOYSA-N -1 3 399.516 3.791 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1)C(F)(F)F ZINC000290268720 914603485 /nfs/dbraw/zinc/60/34/85/914603485.db2.gz BRTDIZOCEGEXKW-ZLPCBKJTSA-N -1 3 396.453 3.878 20 0 GHADHM CN1C[C@H](c2ccccc2)C2(CCN(Cc3c(F)cc([O-])cc3F)CC2)C1=O ZINC001144553862 902368003 /nfs/dbraw/zinc/36/80/03/902368003.db2.gz SWJCGDYBFONOPP-GOSISDBHSA-N -1 3 386.442 3.508 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000263670388 902376538 /nfs/dbraw/zinc/37/65/38/902376538.db2.gz FFUXOTSZHWOWIJ-LSDHHAIUSA-N -1 3 399.491 3.706 20 0 GHADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC001186538845 914625336 /nfs/dbraw/zinc/62/53/36/914625336.db2.gz BEQXFRCGSOEELT-XDHUDOTRSA-N -1 3 386.583 3.663 20 0 GHADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001186540301 914626859 /nfs/dbraw/zinc/62/68/59/914626859.db2.gz JHFZTLQPABLHBB-KRWDZBQOSA-N -1 3 393.480 3.692 20 0 GHADHM C[C@](O)(C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000845907415 902517635 /nfs/dbraw/zinc/51/76/35/902517635.db2.gz YDGQNWMJPQSNOM-AWEZNQCLSA-N -1 3 398.308 3.521 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC1(c2ccccc2C(F)(F)F)CCOCC1 ZINC001144633094 902540392 /nfs/dbraw/zinc/54/03/92/902540392.db2.gz DICPVMCCUXKCON-UHFFFAOYSA-N -1 3 397.368 3.915 20 0 GHADHM O=C1CCC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)N1Cc1ccccc1 ZINC001144654432 902566891 /nfs/dbraw/zinc/56/68/91/902566891.db2.gz LCUWRXGIPXEKHU-UHFFFAOYSA-N -1 3 386.442 3.828 20 0 GHADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1snc(Cl)c1Cl ZINC000846144539 902750206 /nfs/dbraw/zinc/75/02/06/902750206.db2.gz MFLCTJFDXWQQCV-UHFFFAOYSA-N -1 3 394.230 3.817 20 0 GHADHM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000846445072 902975744 /nfs/dbraw/zinc/97/57/44/902975744.db2.gz YCUGEOPUKBGSMJ-WMLDXEAASA-N -1 3 394.487 3.616 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](COc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000264449341 903100922 /nfs/dbraw/zinc/10/09/22/903100922.db2.gz PDDFQWOALFNTFI-NRFANRHFSA-N -1 3 391.471 3.668 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3ccc4[nH][n-]c(=O)c4c3)sc2C)cc1 ZINC000646605495 914712854 /nfs/dbraw/zinc/71/28/54/914712854.db2.gz AJQAWHLEHFGCKR-UHFFFAOYSA-N -1 3 380.429 3.961 20 0 GHADHM CCN1CCCC[C@H]1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000126463105 903460673 /nfs/dbraw/zinc/46/06/73/903460673.db2.gz CEQLRSKGPRRTNK-INIZCTEOSA-N -1 3 397.500 3.569 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1[O-] ZINC001186686837 914724703 /nfs/dbraw/zinc/72/47/03/914724703.db2.gz IRQSOAQISREWPK-UHFFFAOYSA-N -1 3 378.856 3.923 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001146453536 903542983 /nfs/dbraw/zinc/54/29/83/903542983.db2.gz RDDHCAHFBSIUKG-ABAIWWIYSA-N -1 3 384.448 3.567 20 0 GHADHM O=C(Nc1cccc(Oc2cccnn2)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001146576979 903567899 /nfs/dbraw/zinc/56/78/99/903567899.db2.gz UHTVXQRENXVMFJ-UHFFFAOYSA-N -1 3 394.337 3.641 20 0 GHADHM Cc1nc([C@H]2CCCCN2C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)no1 ZINC001147277415 903754209 /nfs/dbraw/zinc/75/42/09/903754209.db2.gz SNXARFMOQHXEDW-LLVKDONJSA-N -1 3 393.469 3.549 20 0 GHADHM CCc1cccc(CC)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136352508 903776142 /nfs/dbraw/zinc/77/61/42/903776142.db2.gz FNHCKAWNBJGBJH-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000646677539 914767304 /nfs/dbraw/zinc/76/73/04/914767304.db2.gz BCFDJKYDGRTMMC-UHFFFAOYSA-N -1 3 386.373 3.862 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C[C@@H]1CCC2(CCCC2)O1)C(F)(F)F ZINC001171318367 903945514 /nfs/dbraw/zinc/94/55/14/903945514.db2.gz BIWANKOXTJNXGY-HOTGVXAUSA-N -1 3 382.426 3.588 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CC1Cc2ccccc2C1)c1nc(C2CCCCC2)no1 ZINC000578580214 903978924 /nfs/dbraw/zinc/97/89/24/903978924.db2.gz ZGXAFRIIYGTCPF-AWEZNQCLSA-N -1 3 389.521 3.513 20 0 GHADHM COC(=O)Cc1occc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000578583645 903984122 /nfs/dbraw/zinc/98/41/22/903984122.db2.gz KSCPZVATDDSDKD-UHFFFAOYSA-N -1 3 389.458 3.559 20 0 GHADHM CNC(=O)c1cccc(Oc2ccc(NC(=O)c3cccc(OC)c3[O-])cc2)c1 ZINC001148202794 904013493 /nfs/dbraw/zinc/01/34/93/904013493.db2.gz RLBGGISFSQQHLH-UHFFFAOYSA-N -1 3 392.411 3.805 20 0 GHADHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCCO2)cccc1C(=O)Nc1ccccc1 ZINC000150852534 904033142 /nfs/dbraw/zinc/03/31/42/904033142.db2.gz UQTDHJHUDMENBX-QGZVFWFLSA-N -1 3 388.489 3.558 20 0 GHADHM COCCOc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1C(F)(F)F ZINC001148507697 904100903 /nfs/dbraw/zinc/10/09/03/904100903.db2.gz TWEVNOYOEQDHBX-UHFFFAOYSA-N -1 3 383.366 3.675 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(F)ccc1NC(C)C)c2=O ZINC000578781021 904117967 /nfs/dbraw/zinc/11/79/67/904117967.db2.gz VTZNWIYFDPCMPE-UHFFFAOYSA-N -1 3 387.386 3.888 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1-n1nnnc1C(C)C ZINC000579157679 904384888 /nfs/dbraw/zinc/38/48/88/904384888.db2.gz WXSQLQYUTQKMGK-UHFFFAOYSA-N -1 3 391.884 3.548 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1 ZINC000579204287 904425984 /nfs/dbraw/zinc/42/59/84/904425984.db2.gz MGDTWJPUWFZTRO-HKUYNNGSSA-N -1 3 385.464 3.694 20 0 GHADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646746699 914814606 /nfs/dbraw/zinc/81/46/06/914814606.db2.gz BODDGSODMGJFPF-VIFPVBQESA-N -1 3 375.293 3.887 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000160046729 904597001 /nfs/dbraw/zinc/59/70/01/904597001.db2.gz VZBIDQHUPYCVAH-UHFFFAOYSA-N -1 3 390.530 3.633 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000290841544 914840189 /nfs/dbraw/zinc/84/01/89/914840189.db2.gz IJLFKZLJQQQJEK-INIZCTEOSA-N -1 3 391.855 3.690 20 0 GHADHM CN(Cc1ccc(Br)s1)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188070038 904868668 /nfs/dbraw/zinc/86/86/68/904868668.db2.gz OLDXAVNEAVDMPH-WQLSENKSSA-N -1 3 377.263 3.782 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188196615 904889859 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CC(=O)c1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)nc1C ZINC000777327372 906164199 /nfs/dbraw/zinc/16/41/99/906164199.db2.gz RVFOZZYBZRXMDE-UHFFFAOYSA-N -1 3 377.400 3.591 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628653541 906227098 /nfs/dbraw/zinc/22/70/98/906227098.db2.gz PAZNWNATOGEPLJ-MNOVXSKESA-N -1 3 398.406 3.537 20 0 GHADHM Cn1cccc1[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178270437 906319839 /nfs/dbraw/zinc/31/98/39/906319839.db2.gz RMVONIWQIMXVPY-HNNXBMFYSA-N -1 3 378.270 3.540 20 0 GHADHM Cc1cc(CCNC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc(C)c1O ZINC000190969407 906494132 /nfs/dbraw/zinc/49/41/32/906494132.db2.gz TVXNOLAMODOGHA-UHFFFAOYSA-N -1 3 396.274 3.503 20 0 GHADHM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474801 906509150 /nfs/dbraw/zinc/50/91/50/906509150.db2.gz SHKPCHMRPRJUKQ-JTQLQIEISA-N -1 3 381.263 3.714 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2cc(OCc3ccc(F)cc3)ccc2F)no1 ZINC001212754611 906677959 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CS(=O)(=O)[N-]c1ccccc1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180632895 906805108 /nfs/dbraw/zinc/80/51/08/906805108.db2.gz XFICUTRQZSHTPH-UHFFFAOYSA-N -1 3 378.416 3.755 20 0 GHADHM C/C=C/C[C@@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000629872142 907041636 /nfs/dbraw/zinc/04/16/36/907041636.db2.gz LDBFTZYFZNLDOM-NHZBNJEXSA-N -1 3 383.448 3.759 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3ccccc3)cc2)ccc1N ZINC001175272177 907483765 /nfs/dbraw/zinc/48/37/65/907483765.db2.gz AQYZYVNRKRHDRX-UHFFFAOYSA-N -1 3 396.468 3.735 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001175428272 907548725 /nfs/dbraw/zinc/54/87/25/907548725.db2.gz WDQJPRHYUFKTTQ-HNNXBMFYSA-N -1 3 397.439 3.670 20 0 GHADHM CCOC(=O)c1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC001175431625 907551147 /nfs/dbraw/zinc/55/11/47/907551147.db2.gz KPJLHYWQYNKRRC-UHFFFAOYSA-N -1 3 388.225 3.550 20 0 GHADHM [O-]c1ccc(CN2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001175492145 907573297 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Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(CO)c(F)c3)nc(=O)c2c1C ZINC000773622108 908452460 /nfs/dbraw/zinc/45/24/60/908452460.db2.gz AGPUMAXYNLRKKG-VIFPVBQESA-N -1 3 376.409 3.563 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C ZINC001177242257 908480368 /nfs/dbraw/zinc/48/03/68/908480368.db2.gz DZDLZDWJENOCHD-UHFFFAOYSA-N -1 3 390.439 3.654 20 0 GHADHM Cc1nc(C2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)[nH]c1C ZINC001178042638 908883075 /nfs/dbraw/zinc/88/30/75/908883075.db2.gz GKIILQLKGUPNEU-UHFFFAOYSA-N -1 3 384.867 3.541 20 0 GHADHM CCOc1cc(C(=O)OC)ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001178112446 908888420 /nfs/dbraw/zinc/88/84/20/908888420.db2.gz DWGWVVPODGWARH-UHFFFAOYSA-N -1 3 394.221 3.592 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000901695229 921487111 /nfs/dbraw/zinc/48/71/11/921487111.db2.gz JIAMABICCMEDRC-HNNXBMFYSA-N -1 3 378.213 3.737 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2)[n-]n1 ZINC001179075890 909376289 /nfs/dbraw/zinc/37/62/89/909376289.db2.gz KQPKIQBFSYLRHZ-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[n-]1 ZINC001179075890 909376308 /nfs/dbraw/zinc/37/63/08/909376308.db2.gz KQPKIQBFSYLRHZ-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)[n-]n1 ZINC001179083218 909378063 /nfs/dbraw/zinc/37/80/63/909378063.db2.gz YMCOPZRROXPYJX-FPLPWBNLSA-N -1 3 383.326 3.525 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)n[n-]1 ZINC001179083218 909378080 /nfs/dbraw/zinc/37/80/80/909378080.db2.gz YMCOPZRROXPYJX-FPLPWBNLSA-N -1 3 383.326 3.525 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)COc2ccc(Cl)c3ccccc23)n1 ZINC000636113464 909433370 /nfs/dbraw/zinc/43/33/70/909433370.db2.gz JAFUIJGSDOPZBG-UHFFFAOYSA-N -1 3 385.851 3.728 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)n1 ZINC000636113124 909433397 /nfs/dbraw/zinc/43/33/97/909433397.db2.gz UDWCBIRCQJUVTF-GXTWGEPZSA-N -1 3 377.847 3.828 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Br)ccc2Cl)n1 ZINC000636115425 909437302 /nfs/dbraw/zinc/43/73/02/909437302.db2.gz YQRGWEASZWFIFL-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CC=CC[C@@H]1c1nc3ccccc3s1)C2 ZINC000636284411 909518943 /nfs/dbraw/zinc/51/89/43/909518943.db2.gz YOZKXODVQWLWJQ-UONOGXRCSA-N -1 3 392.484 3.693 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319724 909539736 /nfs/dbraw/zinc/53/97/36/909539736.db2.gz UKJKDHULYLDKQZ-UHFFFAOYSA-N -1 3 382.247 3.695 20 0 GHADHM COc1cccc([C@@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2)N2CCCC2)c1 ZINC000739946629 909775533 /nfs/dbraw/zinc/77/55/33/909775533.db2.gz VYSDCSSZBQSYOY-LJQANCHMSA-N -1 3 398.463 3.744 20 0 GHADHM CC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ncc(Br)cc1[O-] ZINC001179931734 909812572 /nfs/dbraw/zinc/81/25/72/909812572.db2.gz RMUZWEOHXUKLIZ-QGZVFWFLSA-N -1 3 379.298 3.569 20 0 GHADHM Cc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948990 909824363 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GHADHM C[C@H](NCc1ncc(Br)cc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901871374 921667193 /nfs/dbraw/zinc/66/71/93/921667193.db2.gz FHTNGHMRWUTHAP-SMDDNHRTSA-N -1 3 397.700 3.919 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000901880536 921682332 /nfs/dbraw/zinc/68/23/32/921682332.db2.gz YAGKKRWFADZSEJ-UHFFFAOYSA-N -1 3 399.882 3.566 20 0 GHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc(C(F)F)ncn1 ZINC001182453782 911716689 /nfs/dbraw/zinc/71/66/89/911716689.db2.gz GUAHLDFBBLJALY-UHFFFAOYSA-N -1 3 385.446 3.872 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCCCO4)n3)n[n-]2)c1 ZINC000284013233 911720793 /nfs/dbraw/zinc/72/07/93/911720793.db2.gz QTODWDGWDLMIIO-NSHDSACASA-N -1 3 376.214 3.526 20 0 GHADHM CC[C@](CNCc1c(F)cncc1Br)(C(=O)[O-])c1ccccc1 ZINC000901896976 921712531 /nfs/dbraw/zinc/71/25/31/921712531.db2.gz ABIJUCSQDJOUTJ-QGZVFWFLSA-N -1 3 381.245 3.505 20 0 GHADHM CC(C)n1cc2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc2n1 ZINC001182786560 912050209 /nfs/dbraw/zinc/05/02/09/912050209.db2.gz QFWVSEZPGRRQKB-UHFFFAOYSA-N -1 3 382.370 3.989 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284948932 912089784 /nfs/dbraw/zinc/08/97/84/912089784.db2.gz PUUZSYVVBHMYBH-CQSZACIVSA-N -1 3 396.235 3.907 20 0 GHADHM Cc1sc(CCNC(=O)c2ccc3[nH][n-]c(=O)c3c2)nc1-c1ccccc1 ZINC000646851878 914887918 /nfs/dbraw/zinc/88/79/18/914887918.db2.gz CJWCULXSLIFSCA-UHFFFAOYSA-N -1 3 378.457 3.673 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]CC(C)(C)c2ccc(F)cc2Cl)s1 ZINC001186961342 914920487 /nfs/dbraw/zinc/92/04/87/914920487.db2.gz GARFOLKLJKVXJC-UHFFFAOYSA-N -1 3 376.906 3.754 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000646957786 914948452 /nfs/dbraw/zinc/94/84/52/914948452.db2.gz KQKVVJXNJAWEGK-GOSISDBHSA-N -1 3 379.378 3.885 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1F ZINC001187003633 914970720 /nfs/dbraw/zinc/97/07/20/914970720.db2.gz DDKNPXWFKPUKNO-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(=O)c1ccc(OCc2ccccc2)c(NC(=O)NCC(F)(F)F)c1[O-] ZINC001187094529 915030332 /nfs/dbraw/zinc/03/03/32/915030332.db2.gz VJPSJDIASKRJGS-UHFFFAOYSA-N -1 3 382.338 3.858 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1)C(C)C ZINC000647123368 915038897 /nfs/dbraw/zinc/03/88/97/915038897.db2.gz RCNMPIDJICYQGW-SFHVURJKSA-N -1 3 391.493 3.743 20 0 GHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1c2ncsc2ccc1Cl ZINC001187155905 915066920 /nfs/dbraw/zinc/06/69/20/915066920.db2.gz IOYMGZSSLDIUKL-CQSZACIVSA-N -1 3 396.921 3.742 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1C(F)(F)F ZINC001187184353 915075576 /nfs/dbraw/zinc/07/55/76/915075576.db2.gz BIKRRQYILTVIIT-UHFFFAOYSA-N -1 3 378.397 3.547 20 0 GHADHM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000097069295 915370374 /nfs/dbraw/zinc/37/03/74/915370374.db2.gz KCIOUSDYUIISNB-UHFFFAOYSA-N -1 3 389.249 3.780 20 0 GHADHM Cc1ccc([C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C2CC2)cc1 ZINC000292440873 915682518 /nfs/dbraw/zinc/68/25/18/915682518.db2.gz NXVQBKUWBDHNHR-PBHICJAKSA-N -1 3 397.441 3.546 20 0 GHADHM Cc1ccc([C@@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C2CC2)cc1 ZINC000292440879 915682565 /nfs/dbraw/zinc/68/25/65/915682565.db2.gz NXVQBKUWBDHNHR-WMLDXEAASA-N -1 3 397.441 3.546 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(Cl)c1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188084712 915745253 /nfs/dbraw/zinc/74/52/53/915745253.db2.gz OTVMLRJRBOZALI-CYBMUJFWSA-N -1 3 392.695 3.866 20 0 GHADHM O=S(=O)([N-]CC1(CC2CCC2)CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC001188097295 915753956 /nfs/dbraw/zinc/75/39/56/915753956.db2.gz GICGNTDQOPIEAF-UHFFFAOYSA-N -1 3 393.336 3.654 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]Cc1nnc(-c2ccccc2)s1 ZINC001188117122 915763355 /nfs/dbraw/zinc/76/33/55/915763355.db2.gz CACRFEBEHDICID-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@@H](c3ccccc3)C(F)F)nc(=O)c2c1C ZINC000292708187 915808599 /nfs/dbraw/zinc/80/85/99/915808599.db2.gz LHAMMCPSRZUCTF-ZDUSSCGKSA-N -1 3 393.415 3.588 20 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O=S(=O)(Cc1cccc(F)c1F)[N-]c1cnc(Cl)c(C(F)(F)F)c1 ZINC001189425499 916626818 /nfs/dbraw/zinc/62/68/18/916626818.db2.gz HCNXRJZSOBYFCL-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]Cc1nc(-c2ccccc2)cs1 ZINC001189482541 916705365 /nfs/dbraw/zinc/70/53/65/916705365.db2.gz WIUDCRCGDFHROL-UHFFFAOYSA-N -1 3 380.441 3.708 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)ccc1C(C)=O ZINC001189531494 916726985 /nfs/dbraw/zinc/72/69/85/916726985.db2.gz GKWJGVZMNQWVII-UHFFFAOYSA-N -1 3 387.379 3.859 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)ccc2C(F)(F)F)c1 ZINC001189626224 916787410 /nfs/dbraw/zinc/78/74/10/916787410.db2.gz QSVPEGOBACDGOG-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc(Br)cc1F ZINC001189686894 916807088 /nfs/dbraw/zinc/80/70/88/916807088.db2.gz NBZRVGFCKPXZLH-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189688428 916807549 /nfs/dbraw/zinc/80/75/49/916807549.db2.gz IZZYASWZQKKBIL-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM COC(=O)c1c(C)scc1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189748851 916870981 /nfs/dbraw/zinc/87/09/81/916870981.db2.gz NMHMOTKXGYVTRA-UHFFFAOYSA-N -1 3 375.324 3.700 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H]2CCC[C@@H]21)c1cc(Br)ccc1Cl ZINC001189765826 916901751 /nfs/dbraw/zinc/90/17/51/916901751.db2.gz QDZMJOYJCMMRLK-GAFUQQFSSA-N -1 3 378.719 3.960 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC[C@]3(CCc4c3cccc4F)C2)c(OC)c1 ZINC001190137973 917123043 /nfs/dbraw/zinc/12/30/43/917123043.db2.gz PBQJBACCXULAFF-QFIPXVFZSA-N -1 3 385.435 3.669 20 0 GHADHM COc1nc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3Cl)CC2)ccc1F ZINC001190117389 917138075 /nfs/dbraw/zinc/13/80/75/917138075.db2.gz BTUMIZQHDLQKFA-UHFFFAOYSA-N -1 3 391.251 3.504 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC001190129802 917146166 /nfs/dbraw/zinc/14/61/66/917146166.db2.gz PARQAEBTLNNKQJ-UHFFFAOYSA-N -1 3 380.444 3.911 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC001190264024 917218634 /nfs/dbraw/zinc/21/86/34/917218634.db2.gz GVBJTBRSMJGGKA-UHFFFAOYSA-N -1 3 394.718 3.722 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2ccccc12 ZINC001190296454 917252620 /nfs/dbraw/zinc/25/26/20/917252620.db2.gz SMIAXGHLGPQBTP-UHFFFAOYSA-N -1 3 386.326 3.899 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F ZINC001190340544 917271692 /nfs/dbraw/zinc/27/16/92/917271692.db2.gz WQGPLXUXXNAFAG-GXTWGEPZSA-N -1 3 377.334 3.818 20 0 GHADHM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC001190420909 917327870 /nfs/dbraw/zinc/32/78/70/917327870.db2.gz QPKGEXJSDAOMGJ-STQMWFEESA-N -1 3 381.519 3.793 20 0 GHADHM CCOc1cc(F)c(C(=O)[N-]c2c(F)cc(C(=O)OC)c(F)c2C)c(F)c1 ZINC001190607858 917446092 /nfs/dbraw/zinc/44/60/92/917446092.db2.gz ZXSRDGLVDHHINB-UHFFFAOYSA-N -1 3 385.313 3.989 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cc(OC(F)(F)F)ccc1F ZINC001190665385 917454779 /nfs/dbraw/zinc/45/47/79/917454779.db2.gz HEOQNGIRUOWDGC-UHFFFAOYSA-N -1 3 395.106 3.840 20 0 GHADHM CCOc1c(F)cc(C(=O)[N-]c2nnc(SC)nc2SC)cc1Cl ZINC001190729305 917533086 /nfs/dbraw/zinc/53/30/86/917533086.db2.gz DLUQUXNBLOHIGE-UHFFFAOYSA-N -1 3 388.877 3.759 20 0 GHADHM O=S(=O)([N-]c1c(Br)cc(F)cc1C(F)(F)F)c1ccncc1 ZINC001190893831 917636554 /nfs/dbraw/zinc/63/65/54/917636554.db2.gz RFDOFWGWLMAGOP-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910710 917660315 /nfs/dbraw/zinc/66/03/15/917660315.db2.gz WOLSLTPRIIEIES-UBHSHLNASA-N -1 3 380.872 3.556 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000651677393 917690724 /nfs/dbraw/zinc/69/07/24/917690724.db2.gz GXDOUWVTMHJJGW-ZCFIWIBFSA-N -1 3 388.795 3.994 20 0 GHADHM CC(C)Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC001191007806 917702729 /nfs/dbraw/zinc/70/27/29/917702729.db2.gz QGKKXLNVQXAQCY-IBGZPJMESA-N -1 3 396.503 3.745 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001191104468 917758466 /nfs/dbraw/zinc/75/84/66/917758466.db2.gz SFWRRMGSPMORCG-IPQOISQHSA-N -1 3 378.947 3.666 20 0 GHADHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296062040 917810661 /nfs/dbraw/zinc/81/06/61/917810661.db2.gz NONKAUUSMXRCEU-VIFPVBQESA-N -1 3 380.286 3.631 20 0 GHADHM O=C(Nc1cncc([O-])c1)Nc1ccc(Br)cc1Br ZINC001191512703 918037654 /nfs/dbraw/zinc/03/76/54/918037654.db2.gz BGYYBWQQTNMXMU-UHFFFAOYSA-N -1 3 387.031 3.956 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1CC2(CCC2)C1 ZINC000652970492 918070097 /nfs/dbraw/zinc/07/00/97/918070097.db2.gz PXOOIGGCVYPLNA-HXUWFJFHSA-N -1 3 378.472 3.702 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)cn2)c([O-])c1 ZINC001191594377 918088242 /nfs/dbraw/zinc/08/82/42/918088242.db2.gz DGVVAMKBFAZCBK-UHFFFAOYSA-N -1 3 379.416 3.786 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccco1 ZINC000296299561 918103649 /nfs/dbraw/zinc/10/36/49/918103649.db2.gz NNMKEKVHRKCXJG-CXAGYDPISA-N -1 3 385.432 3.732 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC001191711580 918134179 /nfs/dbraw/zinc/13/41/79/918134179.db2.gz LVSNDWJSKBGJDZ-HNNXBMFYSA-N -1 3 395.290 3.655 20 0 GHADHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC ZINC001191779817 918213700 /nfs/dbraw/zinc/21/37/00/918213700.db2.gz OVLDCRJTTHQHNI-JOYOIKCWSA-N -1 3 382.309 3.558 20 0 GHADHM O=C([O-])[C@@H](CNCc1cc2n(n1)CCCC2)Cc1ccc(-c2ccccc2)cc1 ZINC000653502950 918271451 /nfs/dbraw/zinc/27/14/51/918271451.db2.gz TYTVLFFQDPFUKQ-OAQYLSRUSA-N -1 3 389.499 3.920 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CN[C@@H](CCF)C(=O)[O-])c1 ZINC000653507087 918275553 /nfs/dbraw/zinc/27/55/53/918275553.db2.gz XVTKFZGETCXCGP-KRWDZBQOSA-N -1 3 381.831 3.830 20 0 GHADHM Cc1nnc(SCc2noc(-c3ccccc3[O-])n2)n1CCc1cccs1 ZINC000363456001 918282155 /nfs/dbraw/zinc/28/21/55/918282155.db2.gz JBVLICBPYPLRAB-UHFFFAOYSA-N -1 3 399.501 3.939 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC001192082801 918379268 /nfs/dbraw/zinc/37/92/68/918379268.db2.gz AXEPZIQPLNNGSJ-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000363768211 918824827 /nfs/dbraw/zinc/82/48/27/918824827.db2.gz QNAMHVLWYBPJJM-GOSISDBHSA-N -1 3 375.472 3.578 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000297130876 919084503 /nfs/dbraw/zinc/08/45/03/919084503.db2.gz UDTIHWCGPHVZQD-OAHLLOKOSA-N -1 3 399.491 3.850 20 0 GHADHM CCc1ccccc1N1C(=O)C(=Cc2cc(Cl)c([O-])c(OC)c2)NC1=S ZINC000015282383 919372220 /nfs/dbraw/zinc/37/22/20/919372220.db2.gz SLAATCVSHBKUFB-NTEUORMPSA-N -1 3 388.876 3.879 20 0 GHADHM O=C(Cc1c[nH]c2ccccc12)N[N-]C(=O)c1sccc1-c1ccccc1 ZINC000016178828 919410956 /nfs/dbraw/zinc/41/09/56/919410956.db2.gz UFWHQRQKANGZGX-UHFFFAOYSA-N -1 3 375.453 3.900 20 0 GHADHM Cc1c(Cl)ccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])c1Cl ZINC000900024909 919758595 /nfs/dbraw/zinc/75/85/95/919758595.db2.gz CKHZNBQAOVUSFS-INIZCTEOSA-N -1 3 396.270 3.978 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNCCc1nc(C(=O)[O-])c(C)s1 ZINC000900058809 919783679 /nfs/dbraw/zinc/78/36/79/919783679.db2.gz GGRXBLFKJMHFAR-UHFFFAOYSA-N -1 3 375.277 3.797 20 0 GHADHM Cc1sc(CCNCc2oc3ccccc3c2Br)nc1C(=O)[O-] ZINC000900058836 919783727 /nfs/dbraw/zinc/78/37/27/919783727.db2.gz HKAYFLRMNPTPMA-UHFFFAOYSA-N -1 3 395.278 3.991 20 0 GHADHM O=C([O-])C1(CCCCNCc2ccccc2I)CCC1 ZINC000900080641 919816644 /nfs/dbraw/zinc/81/66/44/919816644.db2.gz JDVZTUGBERTCMB-UHFFFAOYSA-N -1 3 387.261 3.806 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1OC ZINC000364686496 919840035 /nfs/dbraw/zinc/84/00/35/919840035.db2.gz PGLVIKOIEACFOU-IFXJQAMLSA-N -1 3 395.525 3.501 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)[C@H](C)C(C)(C)O)nc(=O)c3s2)cc1 ZINC000298034532 920118500 /nfs/dbraw/zinc/11/85/00/920118500.db2.gz CPRPQIIIIFRWAW-GFCCVEGCSA-N -1 3 387.505 3.664 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1nnc2ccccc2c1[O-] ZINC000800590076 920300805 /nfs/dbraw/zinc/30/08/05/920300805.db2.gz JVUGJOKWESEUTH-UHFFFAOYSA-N -1 3 381.285 3.668 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc1C ZINC000298216105 920314721 /nfs/dbraw/zinc/31/47/21/920314721.db2.gz XINJFDFSHMDGED-UHFFFAOYSA-N -1 3 387.867 3.548 20 0 GHADHM CCOc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2-c2nc(C)no2)on1 ZINC000298236311 920332088 /nfs/dbraw/zinc/33/20/88/920332088.db2.gz BPAIXSNKNWZNDP-UHFFFAOYSA-N -1 3 382.298 3.703 20 0 GHADHM Cc1csc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)c1Br ZINC000365208788 920514343 /nfs/dbraw/zinc/51/43/43/920514343.db2.gz FVSUCNVAWABVTQ-UHFFFAOYSA-N -1 3 384.284 3.621 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900860482 920668709 /nfs/dbraw/zinc/66/87/09/920668709.db2.gz YYZYRKAOLOVGPN-UHFFFAOYSA-N -1 3 377.366 3.888 20 0 GHADHM CCOc1cc(CNc2ccc(CN3C(=O)CCC3=O)cc2)cc(Cl)c1[O-] ZINC000298726086 920856042 /nfs/dbraw/zinc/85/60/42/920856042.db2.gz UOCXMUANOZHEPP-UHFFFAOYSA-N -1 3 388.851 3.705 20 0 GHADHM C[C@@H]1CCN(Cc2cc(OC(F)F)ccc2Br)[C@H](C(=O)[O-])C1 ZINC000902013698 921814780 /nfs/dbraw/zinc/81/47/80/921814780.db2.gz XWSZZHLRHQMJOA-RNCFNFMXSA-N -1 3 378.213 3.736 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](c2nnc([N-]Cc3nccc4c3CCCC4)o2)C1 ZINC000902138216 921906871 /nfs/dbraw/zinc/90/68/71/921906871.db2.gz BYQJOSQLALZGLR-HNNXBMFYSA-N -1 3 399.495 3.680 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000902143357 921914687 /nfs/dbraw/zinc/91/46/87/921914687.db2.gz NXDHQTSAVXSAPT-QFBILLFUSA-N -1 3 385.460 3.591 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)CCCOc1ccc(Cl)cc1 ZINC000902152304 921929969 /nfs/dbraw/zinc/92/99/69/921929969.db2.gz JPESHCNKSCZVIF-UHFFFAOYSA-N -1 3 379.888 3.529 20 0 GHADHM O=C([O-])c1cccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000902213790 921992449 /nfs/dbraw/zinc/99/24/49/921992449.db2.gz SISPHVIQCLFYMD-AWEZNQCLSA-N -1 3 398.850 3.863 20 0 GHADHM O=C([O-])/C=C\c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000902256468 922036245 /nfs/dbraw/zinc/03/62/45/922036245.db2.gz PYOXNUDNYIDWBW-DANTVBBOSA-N -1 3 380.366 3.765 20 0 GHADHM CCc1oc(CNC[C@@H](C)Oc2ccccc2Br)cc1C(=O)[O-] ZINC000902315620 922080681 /nfs/dbraw/zinc/08/06/81/922080681.db2.gz FIGWSRQXDLLZPW-LLVKDONJSA-N -1 3 382.254 3.860 20 0 GHADHM CN1C(=O)C[C@H](NCc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000902426778 922185893 /nfs/dbraw/zinc/18/58/93/922185893.db2.gz CLZOSEQARGERNZ-WMZOPIPTSA-N -1 3 393.270 3.753 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C[C@H](C)O)c3ccccc3)nc2)n1 ZINC000368120290 922487586 /nfs/dbraw/zinc/48/75/86/922487586.db2.gz AQGQUQRHSYISKC-YJBOKZPZSA-N -1 3 378.476 3.773 20 0 GHADHM O=C([N-]CC1CCC(O)CC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902956070 922636326 /nfs/dbraw/zinc/63/63/26/922636326.db2.gz ZYAPFXCWYJCRCP-UHFFFAOYSA-N -1 3 386.748 3.513 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cc(OC)c1[O-] ZINC000368762893 922852689 /nfs/dbraw/zinc/85/26/89/922852689.db2.gz QJEJHGLFQILQTE-AWEZNQCLSA-N -1 3 389.452 3.673 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000903594616 923112906 /nfs/dbraw/zinc/11/29/06/923112906.db2.gz HDGBAHFBEGKPCH-HXUWFJFHSA-N -1 3 389.879 3.992 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000903603380 923119390 /nfs/dbraw/zinc/11/93/90/923119390.db2.gz VKAGWOAFAOSAEB-UHFFFAOYSA-N -1 3 377.444 3.716 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000903608449 923124091 /nfs/dbraw/zinc/12/40/91/923124091.db2.gz IKJZCLDZPLMYHS-MRXNPFEDSA-N -1 3 387.398 3.574 20 0 GHADHM CC(C)CN(Cc1nnc(-c2ccc(Cl)cc2)n1C)CC(C)(C)C(=O)[O-] ZINC000903622939 923134324 /nfs/dbraw/zinc/13/43/24/923134324.db2.gz SJARYBCGXVBRPD-UHFFFAOYSA-N -1 3 378.904 3.704 20 0 GHADHM COc1c(NC(=O)c2cc3sccc3c([O-])c2)cc(Cl)cc1C(N)=O ZINC000803791923 923252617 /nfs/dbraw/zinc/25/26/17/923252617.db2.gz NFLSHGCKRCABAS-UHFFFAOYSA-N -1 3 376.821 3.620 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000903919433 923399389 /nfs/dbraw/zinc/39/93/89/923399389.db2.gz LQNLXTLINPKWEE-UHFFFAOYSA-N -1 3 394.393 3.890 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(CCOc2ccc(Br)cc2)CC1 ZINC000903921938 923400971 /nfs/dbraw/zinc/40/09/71/923400971.db2.gz RHSKUTOMSOKETJ-UHFFFAOYSA-N -1 3 396.203 3.557 20 0 GHADHM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000369623920 923493436 /nfs/dbraw/zinc/49/34/36/923493436.db2.gz XVPCFBQETOIAOA-KRWDZBQOSA-N -1 3 376.456 3.632 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccncc4C)CC3)nc2)n1 ZINC000370084661 923856265 /nfs/dbraw/zinc/85/62/65/923856265.db2.gz XHJYFPQWUUQOKL-UHFFFAOYSA-N -1 3 391.475 3.558 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H]1COc2ccccc21 ZINC000677244011 924297348 /nfs/dbraw/zinc/29/73/48/924297348.db2.gz XPWLTOXVSFREOY-CJNGLKHVSA-N -1 3 386.498 3.653 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCCC(F)(F)C1 ZINC000409632102 924827369 /nfs/dbraw/zinc/82/73/69/924827369.db2.gz RQYFRYJWLMJHBU-LLVKDONJSA-N -1 3 377.229 3.779 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678675801 924882498 /nfs/dbraw/zinc/88/24/98/924882498.db2.gz USTMFDHQHWYKNA-GJZGRUSLSA-N -1 3 397.313 3.503 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)sc1Br ZINC000409926255 925137061 /nfs/dbraw/zinc/13/70/61/925137061.db2.gz GNZOTBQOIABDNT-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](Cc4ccncc4)C3)cc2)cc(=O)[n-]1 ZINC000679843260 925281129 /nfs/dbraw/zinc/28/11/29/925281129.db2.gz FGGDYDDGZSNHTJ-KRWDZBQOSA-N -1 3 389.459 3.649 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1cc(C(F)(F)F)ccc1F ZINC000410172585 925379723 /nfs/dbraw/zinc/37/97/23/925379723.db2.gz DUGUHTADOKCKDI-GHMZBOCLSA-N -1 3 391.333 3.673 20 0 GHADHM CC(C)c1ccc(-c2nc(CC(=O)N3CCc4c(=O)[n-]cnc4C3)cs2)cc1 ZINC000680222855 925399668 /nfs/dbraw/zinc/39/96/68/925399668.db2.gz KKQIFRWOOOKVNH-UHFFFAOYSA-N -1 3 394.500 3.557 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372649470 925609682 /nfs/dbraw/zinc/60/96/82/925609682.db2.gz NAYLBYGHEYPAOR-KRWDZBQOSA-N -1 3 380.488 3.611 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cc([O-])c2ccccc2c1 ZINC000373444380 926132570 /nfs/dbraw/zinc/13/25/70/926132570.db2.gz RJRXCPAECCZYQO-UHFFFAOYSA-N -1 3 392.430 3.719 20 0 GHADHM O=C(Nc1cc(Br)c(F)cc1F)c1c[n-]c2ccccc2c1=O ZINC000682537316 926156442 /nfs/dbraw/zinc/15/64/42/926156442.db2.gz GQVBFYUOXIVQKB-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1sccc1NC(=O)c1ccncc1 ZINC000148238695 926372397 /nfs/dbraw/zinc/37/23/97/926372397.db2.gz BAVJYDACCRUNIA-UHFFFAOYSA-N -1 3 397.441 3.759 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc2ncccc21 ZINC000389091594 926385157 /nfs/dbraw/zinc/38/51/57/926385157.db2.gz COMMEGHBKWWWMR-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1[O-] ZINC000411483753 926440158 /nfs/dbraw/zinc/44/01/58/926440158.db2.gz NXNBSWKEGIBRFL-UHFFFAOYSA-N -1 3 375.371 3.557 20 0 GHADHM COc1ccccc1[C@H](O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725885421 926479340 /nfs/dbraw/zinc/47/93/40/926479340.db2.gz NROILUNWSDDSQL-JOCHJYFZSA-N -1 3 391.467 3.649 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1 ZINC000725899442 926489658 /nfs/dbraw/zinc/48/96/58/926489658.db2.gz HWVOIDPZPCLYMG-GOSISDBHSA-N -1 3 390.277 3.931 20 0 GHADHM Cc1nc([C@@](C)(NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C2CC2)no1 ZINC000411776597 926749398 /nfs/dbraw/zinc/74/93/98/926749398.db2.gz CQFGRCLAVMGCCP-IBGZPJMESA-N -1 3 397.460 3.763 20 0 GHADHM CC[C@H](C)NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000749756331 927260687 /nfs/dbraw/zinc/26/06/87/927260687.db2.gz HGCLFDPFRUKAHT-LBPRGKRZSA-N -1 3 381.498 3.711 20 0 GHADHM C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412338428 927351136 /nfs/dbraw/zinc/35/11/36/927351136.db2.gz SJHGLTCYSVDHOQ-KUDFPVQQSA-N -1 3 388.895 3.727 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000750119587 927441502 /nfs/dbraw/zinc/44/15/02/927441502.db2.gz JOQOIEKGLUNWIP-UHFFFAOYSA-N -1 3 388.470 3.623 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)n1 ZINC000750155685 927453863 /nfs/dbraw/zinc/45/38/63/927453863.db2.gz KNVLXVAKLUDRHI-SECBINFHSA-N -1 3 385.873 3.832 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1[O-] ZINC000412907356 927984116 /nfs/dbraw/zinc/98/41/16/927984116.db2.gz KBBKJCGTCSNPRR-OAHLLOKOSA-N -1 3 375.465 3.569 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(Cl)cc1F ZINC000751155734 928052844 /nfs/dbraw/zinc/05/28/44/928052844.db2.gz RKGPLQUTCIBPCM-QGZVFWFLSA-N -1 3 379.840 3.644 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1Cl)c1cc(F)ccc1Cl ZINC000751376440 928163369 /nfs/dbraw/zinc/16/33/69/928163369.db2.gz IVYSHDCDOWNIHN-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1Cl ZINC000751394968 928170091 /nfs/dbraw/zinc/17/00/91/928170091.db2.gz ZTDKHDTWPLQHNV-ZUZCIYMTSA-N -1 3 392.279 3.841 20 0 GHADHM COc1ccc(C[C@@H](NC(=O)c2ccc(N)cc2[O-])c2ccc(OC)cc2)cc1 ZINC000752335615 928771814 /nfs/dbraw/zinc/77/18/14/928771814.db2.gz DXFSAFHJULFLJD-OAQYLSRUSA-N -1 3 392.455 3.705 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752996271 929145013 /nfs/dbraw/zinc/14/50/13/929145013.db2.gz HHVLFCOBOFILDS-XXFAHNHDSA-N -1 3 387.238 3.759 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000753203757 929250771 /nfs/dbraw/zinc/25/07/71/929250771.db2.gz JHMSWAJNFRHYSP-AWEZNQCLSA-N -1 3 392.377 3.999 20 0 GHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000544673806 929422805 /nfs/dbraw/zinc/42/28/05/929422805.db2.gz OVVSWYMOTUQCRM-LLVKDONJSA-N -1 3 379.532 3.657 20 0 GHADHM COc1ccc(NCc2cc(Cl)ccc2Cl)cc1[N-]S(C)(=O)=O ZINC000753853722 929564413 /nfs/dbraw/zinc/56/44/13/929564413.db2.gz MQSODQWPFSMKRY-UHFFFAOYSA-N -1 3 375.277 3.986 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000757642086 929755208 /nfs/dbraw/zinc/75/52/08/929755208.db2.gz BHCIUOWXNHGTSI-UHFFFAOYSA-N -1 3 396.260 3.788 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(N2CCCCCC2)nc1 ZINC000469307205 929779064 /nfs/dbraw/zinc/77/90/64/929779064.db2.gz GYWGODGEMPIVRM-UHFFFAOYSA-N -1 3 385.483 3.946 20 0 GHADHM CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000546035747 929791417 /nfs/dbraw/zinc/79/14/17/929791417.db2.gz JZQOCKIODCSFMX-UHFFFAOYSA-N -1 3 398.278 3.589 20 0 GHADHM O=C(Nc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1)c1ccccc1Cl ZINC000546035324 929792309 /nfs/dbraw/zinc/79/23/09/929792309.db2.gz SEBDWXPAEQLDKZ-UHFFFAOYSA-N -1 3 396.882 3.665 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3c(C)nn(C)c3Sc3ccccc3)n[n-]2)o1 ZINC000469339026 929799978 /nfs/dbraw/zinc/79/99/78/929799978.db2.gz SAONWQGAMDEHPD-UHFFFAOYSA-N -1 3 394.460 3.819 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c1 ZINC000757918094 929853945 /nfs/dbraw/zinc/85/39/45/929853945.db2.gz CFIUBYYRHADRIC-DOTOQJQBSA-N -1 3 376.497 3.720 20 0 GHADHM COc1ccccc1-c1noc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469405603 929854461 /nfs/dbraw/zinc/85/44/61/929854461.db2.gz JAIPZGLAJKENPR-ZDUSSCGKSA-N -1 3 399.422 3.790 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)c2ccc(F)cc2)c1Cl ZINC000758444705 930048545 /nfs/dbraw/zinc/04/85/45/930048545.db2.gz SESRLSQMDXYEJY-INIZCTEOSA-N -1 3 392.279 3.627 20 0 GHADHM CN(CC1CCC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469661621 930064833 /nfs/dbraw/zinc/06/48/33/930064833.db2.gz JDMJMEUWDHDDCB-UHFFFAOYSA-N -1 3 383.673 3.816 20 0 GHADHM Cc1noc(C[C@@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2ccccc2)n1 ZINC000758827632 930183867 /nfs/dbraw/zinc/18/38/67/930183867.db2.gz GGCDLDTTZAYRKE-MRXNPFEDSA-N -1 3 375.350 3.709 20 0 GHADHM O=C(CCCCCc1ccc(I)cc1)[N-]OCC(F)F ZINC000759326000 930338520 /nfs/dbraw/zinc/33/85/20/930338520.db2.gz YZQXWCPDDKKKOA-UHFFFAOYSA-N -1 3 397.203 3.707 20 0 GHADHM C[C@H](CCCOCc1ccccc1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759330479 930343443 /nfs/dbraw/zinc/34/34/43/930343443.db2.gz ANRAMDRFLCDDGN-MRXNPFEDSA-N -1 3 391.489 3.600 20 0 GHADHM CC(C)C[C@H](C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)N[C@@H](C)c1ccccc1 ZINC000546764880 930415036 /nfs/dbraw/zinc/41/50/36/930415036.db2.gz VASWBMIDCJKQQK-OFQRWUPVSA-N -1 3 380.476 3.622 20 0 GHADHM COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1[O-] ZINC000759702720 930458624 /nfs/dbraw/zinc/45/86/24/930458624.db2.gz ZRDUHTHNXOFZNN-KRWDZBQOSA-N -1 3 390.411 3.744 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780361429 930499293 /nfs/dbraw/zinc/49/92/93/930499293.db2.gz JJZGKKHQXRJWAH-IERDGZPVSA-N -1 3 392.455 3.594 20 0 GHADHM COc1ccccc1OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780861241 930619208 /nfs/dbraw/zinc/61/92/08/930619208.db2.gz QYOVIPXWBZIGCR-IBGZPJMESA-N -1 3 391.423 3.868 20 0 GHADHM CCOc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000781123595 930708149 /nfs/dbraw/zinc/70/81/49/930708149.db2.gz YYKCMFJHHGOFIM-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000781674907 930935602 /nfs/dbraw/zinc/93/56/02/930935602.db2.gz XMYPKFDQYZLSPH-CQSZACIVSA-N -1 3 377.462 3.763 20 0 GHADHM O=C(CCCC[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1ccccc1 ZINC000781770685 930972437 /nfs/dbraw/zinc/97/24/37/930972437.db2.gz BTLWTKXLJLAYNH-UHFFFAOYSA-N -1 3 387.910 3.594 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Br)cc1 ZINC000782008263 931058480 /nfs/dbraw/zinc/05/84/80/931058480.db2.gz NRRHPQIHJXWKSQ-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM COc1cc2ccccc2cc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782041736 931070406 /nfs/dbraw/zinc/07/04/06/931070406.db2.gz OEUHRSDINKTYMA-UHFFFAOYSA-N -1 3 376.368 3.961 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)cc1Cl ZINC000782916211 931365082 /nfs/dbraw/zinc/36/50/82/931365082.db2.gz RCUKFNUPTVLGLA-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(Br)cs1 ZINC000783238747 931471042 /nfs/dbraw/zinc/47/10/42/931471042.db2.gz HBELSJNPAOORMH-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1 ZINC000783868042 931699134 /nfs/dbraw/zinc/69/91/34/931699134.db2.gz ZWJBPJBBLPIMKK-LJQANCHMSA-N -1 3 375.490 3.636 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc(-c2cscn2)c1 ZINC000783925088 931718301 /nfs/dbraw/zinc/71/83/01/931718301.db2.gz RKGFWKMHFIZURG-UHFFFAOYSA-N -1 3 379.397 3.923 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2ccccc2OCCn2ccnc2)cc1C ZINC000558134914 931853182 /nfs/dbraw/zinc/85/31/82/931853182.db2.gz GTVOHAOLMOWPMP-UHFFFAOYSA-N -1 3 385.489 3.521 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)Cc1cccc(C)c1 ZINC000558526413 932054747 /nfs/dbraw/zinc/05/47/47/932054747.db2.gz OBLXKGQVJVBEEB-LJQANCHMSA-N -1 3 377.440 3.616 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4cnn(-c5ccccc5)c4C3)nc2)n1 ZINC000559002945 932366971 /nfs/dbraw/zinc/36/69/71/932366971.db2.gz STHXLZOBXBHNBY-UHFFFAOYSA-N -1 3 384.443 3.513 20 0 GHADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000797835818 932424512 /nfs/dbraw/zinc/42/45/12/932424512.db2.gz OECPNZGOKYFIFA-QWHCGFSZSA-N -1 3 387.288 3.622 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Cl)nc1Cl ZINC000797837920 932425840 /nfs/dbraw/zinc/42/58/40/932425840.db2.gz BNLVGKPVSGXEPK-OIBJUYFYSA-N -1 3 397.205 3.640 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1Cl ZINC000559142363 932460184 /nfs/dbraw/zinc/46/01/84/932460184.db2.gz FCDVDXCFKCEIGT-VQISRLSMSA-N -1 3 376.305 3.619 20 0 GHADHM CSc1ccc([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000798894378 932807819 /nfs/dbraw/zinc/80/78/19/932807819.db2.gz CWMHUIMMHSFNKV-NSHDSACASA-N -1 3 383.466 3.837 20 0 GHADHM C/C(=C/c1ccccc1Cl)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799022919 932854562 /nfs/dbraw/zinc/85/45/62/932854562.db2.gz RRDKXEVGMKWCDK-BENRWUELSA-N -1 3 388.817 3.660 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023814 932854583 /nfs/dbraw/zinc/85/45/83/932854583.db2.gz HEVCGFQJPXBYRU-GDBMZVCRSA-N -1 3 396.453 3.893 20 0 GHADHM CC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCC(C)CC1 ZINC000799023200 932854633 /nfs/dbraw/zinc/85/46/33/932854633.db2.gz YGHSVNDXBMZZBX-BCLQGDPASA-N -1 3 376.463 3.756 20 0 GHADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000799127717 932884335 /nfs/dbraw/zinc/88/43/35/932884335.db2.gz WTFRJQPKZLFMCK-UHFFFAOYSA-N -1 3 376.192 3.604 20 0 GHADHM COc1cc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc(OC)c1OC ZINC000559989055 933002165 /nfs/dbraw/zinc/00/21/65/933002165.db2.gz HEIBLCGELZHVKV-QHCPKHFHSA-N -1 3 399.487 3.854 20 0 GHADHM CC(C)N1C[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CC1=O ZINC000560049710 933035519 /nfs/dbraw/zinc/03/55/19/933035519.db2.gz XNJABCRYHHSEEI-MRXNPFEDSA-N -1 3 393.443 3.746 20 0 GHADHM CCc1cc2c(CSCC(=O)Nc3nc(C)cs3)cc(=O)oc2cc1[O-] ZINC000799895602 933155507 /nfs/dbraw/zinc/15/55/07/933155507.db2.gz QKUOFBXPSMZYKM-UHFFFAOYSA-N -1 3 390.486 3.698 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccccc2F)cnn1-c1ccccc1F ZINC000799923460 933170429 /nfs/dbraw/zinc/17/04/29/933170429.db2.gz LUBBRAUWESUTKV-ZHACJKMWSA-N -1 3 375.400 3.872 20 0 GHADHM CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1C ZINC000928981136 933190777 /nfs/dbraw/zinc/19/07/77/933190777.db2.gz LNRUVXXPYVNOGA-UHFFFAOYSA-N -1 3 389.473 3.543 20 0 GHADHM O=C([O-])C[C@H](CCNCc1cc(Br)cnc1Cl)C(F)(F)F ZINC001118261094 934121512 /nfs/dbraw/zinc/12/15/12/934121512.db2.gz SGYFLNFJFIXSKD-QMMMGPOBSA-N -1 3 389.599 3.630 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)s2)cs1 ZINC001118440593 934170631 /nfs/dbraw/zinc/17/06/31/934170631.db2.gz JGFUAUNRSPBDNW-OUAUKWLOSA-N -1 3 390.502 3.892 20 0 GHADHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000561547199 934259677 /nfs/dbraw/zinc/25/96/77/934259677.db2.gz IUEHIKPZVZFHMO-NSHDSACASA-N -1 3 397.324 3.775 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)Cc1nccs1 ZINC001121758879 934757379 /nfs/dbraw/zinc/75/73/79/934757379.db2.gz WCZWCORRZMFBMJ-UHFFFAOYSA-N -1 3 377.901 3.535 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@H](c4ccccc4)C[C@H]3C)n2CC2CC2)cc(=O)[n-]1 ZINC001123518361 935215276 /nfs/dbraw/zinc/21/52/76/935215276.db2.gz GVUMIZIPGVCTNF-RDTXWAMCSA-N -1 3 390.491 3.542 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2c(OC)ccnc2OC)s1)c1ccccc1 ZINC001125004696 935506289 /nfs/dbraw/zinc/50/62/89/935506289.db2.gz RYRUIVYWPBIVDE-ZDUSSCGKSA-N -1 3 384.461 3.745 20 0 GHADHM CN(C)c1cccc2sc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc21 ZINC000828210711 935593459 /nfs/dbraw/zinc/59/34/59/935593459.db2.gz ZXLOGQZAWZWFEB-UHFFFAOYSA-N -1 3 382.489 3.660 20 0 GHADHM O=C(Nc1nncn1-c1ccccc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001137624993 935638941 /nfs/dbraw/zinc/63/89/41/935638941.db2.gz AZOWXZWDAKXHGK-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)nc2)n1 ZINC000828590178 935670508 /nfs/dbraw/zinc/67/05/08/935670508.db2.gz NIBRDZBGJDSXBV-STQMWFEESA-N -1 3 387.484 3.520 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829639761 935837857 /nfs/dbraw/zinc/83/78/57/935837857.db2.gz ILGJNNGDFVQYKB-OAHLLOKOSA-N -1 3 390.505 3.982 20 0 GHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC4CC4)cc3)c2)n1 ZINC000829877386 935876746 /nfs/dbraw/zinc/87/67/46/935876746.db2.gz ZBNHFZXOKXWDMX-UHFFFAOYSA-N -1 3 399.472 3.949 20 0 GHADHM Brc1cc(CNc2ccc(-c3nnn[n-]3)cn2)cc2ccccc12 ZINC001573279714 946647691 /nfs/dbraw/zinc/64/76/91/946647691.db2.gz LYZAGALXKRJBOQ-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1cc(CNc2ccc(-c3nn[n-]n3)cn2)cc2ccccc12 ZINC001573279714 946647696 /nfs/dbraw/zinc/64/76/96/946647696.db2.gz LYZAGALXKRJBOQ-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM CC(=O)c1ccc(OC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC001573556890 946931139 /nfs/dbraw/zinc/93/11/39/946931139.db2.gz YITBCHSKOIEXOQ-UHFFFAOYSA-N -1 3 377.187 3.595 20 0 GHADHM CC(=O)c1ccc(OC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC001573556890 946931146 /nfs/dbraw/zinc/93/11/46/946931146.db2.gz YITBCHSKOIEXOQ-UHFFFAOYSA-N -1 3 377.187 3.595 20 0 GHADHM C=C/C=C\CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001573316802 947283538 /nfs/dbraw/zinc/28/35/38/947283538.db2.gz ZLLORLFZICVUEQ-PLNGDYQASA-N -1 3 375.432 3.825 20 0 GHADHM C=C/C=C\CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001573316802 947283547 /nfs/dbraw/zinc/28/35/47/947283547.db2.gz ZLLORLFZICVUEQ-PLNGDYQASA-N -1 3 375.432 3.825 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)sc1-c1ccccc1 ZINC001565612953 948559481 /nfs/dbraw/zinc/55/94/81/948559481.db2.gz IVXXSNQKGIOQTL-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccccc1 ZINC001565612953 948559486 /nfs/dbraw/zinc/55/94/86/948559486.db2.gz IVXXSNQKGIOQTL-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC001574417151 948765095 /nfs/dbraw/zinc/76/50/95/948765095.db2.gz MJDCABWCAZCOPJ-FQEVSTJZSA-N -1 3 390.491 3.867 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC001574417151 948765106 /nfs/dbraw/zinc/76/51/06/948765106.db2.gz MJDCABWCAZCOPJ-FQEVSTJZSA-N -1 3 390.491 3.867 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CCC1 ZINC001573755778 948782419 /nfs/dbraw/zinc/78/24/19/948782419.db2.gz HZKRJPVIYFJYSG-CQSZACIVSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CCC1 ZINC001573755778 948782429 /nfs/dbraw/zinc/78/24/29/948782429.db2.gz HZKRJPVIYFJYSG-CQSZACIVSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cc2ccccc2o1 ZINC001573755767 948782965 /nfs/dbraw/zinc/78/29/65/948782965.db2.gz HVYSUJBBBYIPKU-GFCCVEGCSA-N -1 3 384.399 3.903 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cc2ccccc2o1 ZINC001573755767 948782977 /nfs/dbraw/zinc/78/29/77/948782977.db2.gz HVYSUJBBBYIPKU-GFCCVEGCSA-N -1 3 384.399 3.903 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574093810 949118197 /nfs/dbraw/zinc/11/81/97/949118197.db2.gz ZDOHKHGFLWILNO-OXQOHEQNSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574093810 949118204 /nfs/dbraw/zinc/11/82/04/949118204.db2.gz ZDOHKHGFLWILNO-OXQOHEQNSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC001573782763 949133670 /nfs/dbraw/zinc/13/36/70/949133670.db2.gz IWSVCCPQISGCFU-UHFFFAOYSA-N -1 3 377.473 3.675 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001575251454 949142079 /nfs/dbraw/zinc/14/20/79/949142079.db2.gz NJIAWXKGMAQRTB-ZDUSSCGKSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001575251454 949142071 /nfs/dbraw/zinc/14/20/71/949142071.db2.gz NJIAWXKGMAQRTB-ZDUSSCGKSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC001576153079 949275354 /nfs/dbraw/zinc/27/53/54/949275354.db2.gz LQKYFMPYPNCSFQ-KBPBESRZSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC001576153079 949275374 /nfs/dbraw/zinc/27/53/74/949275374.db2.gz LQKYFMPYPNCSFQ-KBPBESRZSA-N -1 3 378.436 3.819 20 0 GHADHM CC1=C(C)C[C@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001575860010 949285339 /nfs/dbraw/zinc/28/53/39/949285339.db2.gz ANOWQCGCDTUUBU-OAQYLSRUSA-N -1 3 391.479 3.577 20 0 GHADHM CC1=C(C)C[C@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001575860010 949285359 /nfs/dbraw/zinc/28/53/59/949285359.db2.gz ANOWQCGCDTUUBU-OAQYLSRUSA-N -1 3 391.479 3.577 20 0 GHADHM C[C@@H]1CCC[C@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576154901 949368252 /nfs/dbraw/zinc/36/82/52/949368252.db2.gz SCWGYDSJAYCLDH-WBVHZDCISA-N -1 3 376.464 3.621 20 0 GHADHM C[C@@H]1CCC[C@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576154901 949368279 /nfs/dbraw/zinc/36/82/79/949368279.db2.gz SCWGYDSJAYCLDH-WBVHZDCISA-N -1 3 376.464 3.621 20 0 GHADHM O=C([O-])c1ccccc1C1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001595250817 949555483 /nfs/dbraw/zinc/55/54/83/949555483.db2.gz YLSIIFMRXCQGSE-GOSISDBHSA-N -1 3 386.492 3.718 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574477664 949671047 /nfs/dbraw/zinc/67/10/47/949671047.db2.gz QBTXEMOAPWROQH-QGZVFWFLSA-N -1 3 398.470 3.989 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574477664 949671063 /nfs/dbraw/zinc/67/10/63/949671063.db2.gz QBTXEMOAPWROQH-QGZVFWFLSA-N -1 3 398.470 3.989 20 0 GHADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001573829499 949957385 /nfs/dbraw/zinc/95/73/85/949957385.db2.gz ZQRBUCGJOSMZJH-AWEZNQCLSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001573829499 949957401 /nfs/dbraw/zinc/95/74/01/949957401.db2.gz ZQRBUCGJOSMZJH-AWEZNQCLSA-N -1 3 396.520 3.655 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC001589723230 950440198 /nfs/dbraw/zinc/44/01/98/950440198.db2.gz XCOFUHHMXXTFMO-IBGZPJMESA-N -1 3 385.464 3.598 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001573863766 950488809 /nfs/dbraw/zinc/48/88/09/950488809.db2.gz PTMJHGDCFKBAPA-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001573863766 950488817 /nfs/dbraw/zinc/48/88/17/950488817.db2.gz PTMJHGDCFKBAPA-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574520809 950753020 /nfs/dbraw/zinc/75/30/20/950753020.db2.gz ZWPDJNZVSBIFRR-ZWNOBZJWSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574520809 950753034 /nfs/dbraw/zinc/75/30/34/950753034.db2.gz ZWPDJNZVSBIFRR-ZWNOBZJWSA-N -1 3 384.406 3.594 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCNc2nc3ccccc3s2)n1 ZINC001573881438 950754904 /nfs/dbraw/zinc/75/49/04/950754904.db2.gz FAMOTKGSTFZACL-UHFFFAOYSA-N -1 3 394.508 3.693 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCNc2nc3ccccc3s2)n1 ZINC001573881438 950754911 /nfs/dbraw/zinc/75/49/11/950754911.db2.gz FAMOTKGSTFZACL-UHFFFAOYSA-N -1 3 394.508 3.693 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3cccc(F)c3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576219836 950813659 /nfs/dbraw/zinc/81/36/59/950813659.db2.gz VGJZFGVXDJJDDH-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3cccc(F)c3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576219836 950813665 /nfs/dbraw/zinc/81/36/65/950813665.db2.gz VGJZFGVXDJJDDH-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM CC1(C)CC(NC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC(C)(C)C1 ZINC001575640010 950887591 /nfs/dbraw/zinc/88/75/91/950887591.db2.gz GCSVABYDMNIPKP-UHFFFAOYSA-N -1 3 378.427 3.871 20 0 GHADHM CC1(C)CC(NC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC(C)(C)C1 ZINC001575640010 950887604 /nfs/dbraw/zinc/88/76/04/950887604.db2.gz GCSVABYDMNIPKP-UHFFFAOYSA-N -1 3 378.427 3.871 20 0 GHADHM CC1(C)C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC001575641418 950920909 /nfs/dbraw/zinc/92/09/09/950920909.db2.gz PSDSKHYFTVHKLK-CQSZACIVSA-N -1 3 393.516 3.938 20 0 GHADHM CC1(C)C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC001575641418 950920919 /nfs/dbraw/zinc/92/09/19/950920919.db2.gz PSDSKHYFTVHKLK-CQSZACIVSA-N -1 3 393.516 3.938 20 0 GHADHM O=C([O-])CN1CCCC[C@@H](NCc2ccc(-c3cccc(Cl)c3)s2)C1=O ZINC001595096593 951819356 /nfs/dbraw/zinc/81/93/56/951819356.db2.gz QERRVUBVDYRQHW-MRXNPFEDSA-N -1 3 392.908 3.624 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001575191156 952466515 /nfs/dbraw/zinc/46/65/15/952466515.db2.gz XLSOHKDCRKBZET-GFCCVEGCSA-N -1 3 386.887 3.894 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001575191156 952466517 /nfs/dbraw/zinc/46/65/17/952466517.db2.gz XLSOHKDCRKBZET-GFCCVEGCSA-N -1 3 386.887 3.894 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001575191556 952467238 /nfs/dbraw/zinc/46/72/38/952467238.db2.gz XSVAZMVCPWTBRJ-YWZLYKJASA-N -1 3 375.476 3.703 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001575191556 952467242 /nfs/dbraw/zinc/46/72/42/952467242.db2.gz XSVAZMVCPWTBRJ-YWZLYKJASA-N -1 3 375.476 3.703 20 0 GHADHM CN(C)[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccccc1 ZINC001593691364 954034749 /nfs/dbraw/zinc/03/47/49/954034749.db2.gz OFVFDWPKMDZRPH-AWEZNQCLSA-N -1 3 379.819 3.602 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccc(-c3c(F)cccc3F)o1)O2 ZINC001594905374 954670741 /nfs/dbraw/zinc/67/07/41/954670741.db2.gz NHXXFNYLXNKSRS-HHGQXBFMSA-N -1 3 377.387 3.727 20 0 GHADHM C[C@H](COCC1CCCCC1)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589076085 955812454 /nfs/dbraw/zinc/81/24/54/955812454.db2.gz XIVWXOIQUQYBHT-SJLPKXTDSA-N -1 3 378.513 3.656 20 0 GHADHM CO[C@@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001593940446 956269273 /nfs/dbraw/zinc/26/92/73/956269273.db2.gz MRHFEQODFQQTHE-QAPCUYQASA-N -1 3 392.883 3.711 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000389806199 972247676 /nfs/dbraw/zinc/24/76/76/972247676.db2.gz BZQZNUIYBUPAQV-SCLBCKFNSA-N -1 3 387.867 3.680 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)c2onc3ccccc32)c1-c1ccccc1 ZINC001154372421 1032068562 /nfs/dbraw/zinc/06/85/62/1032068562.db2.gz JVHQAKZLBCRLLW-UHFFFAOYSA-N -1 3 377.356 3.912 20 0 GHADHM C[C@H](NCc1nc(Cl)ccc1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603250928 972425273 /nfs/dbraw/zinc/42/52/73/972425273.db2.gz SXFKEZBYBLSPPH-LPEHRKFASA-N -1 3 375.694 3.723 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549037524 962936724 /nfs/dbraw/zinc/93/67/24/962936724.db2.gz QWHCGBVXQRSHLT-BHYGNILZSA-N -1 3 386.879 3.776 20 0 GHADHM C[C@@H](NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314833025 963817837 /nfs/dbraw/zinc/81/78/37/963817837.db2.gz UANRFVOPAKGCSS-OLZOCXBDSA-N -1 3 383.514 3.529 20 0 GHADHM COc1ccc(CN(Cc2oncc2C(=O)[O-])[C@H]2CCCC[C@@H]2C)cc1OC ZINC000568064634 974657849 /nfs/dbraw/zinc/65/78/49/974657849.db2.gz KSOCMDFUIRECHD-YOEHRIQHSA-N -1 3 388.464 3.971 20 0 GHADHM CCCOc1ccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC001625859538 1014235504 /nfs/dbraw/zinc/23/55/04/1014235504.db2.gz JCWWOFFTDCIUHV-UHFFFAOYSA-N -1 3 392.481 3.604 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001625916218 1014373426 /nfs/dbraw/zinc/37/34/26/1014373426.db2.gz JEUAALHJXGYAII-UHFFFAOYSA-N -1 3 398.200 3.828 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001625916218 1014373440 /nfs/dbraw/zinc/37/34/40/1014373440.db2.gz JEUAALHJXGYAII-UHFFFAOYSA-N -1 3 398.200 3.828 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001592274849 977551892 /nfs/dbraw/zinc/55/18/92/977551892.db2.gz WDJKVPPOMVWYKV-NEPJUHHUSA-N -1 3 395.381 3.867 20 0 GHADHM C[C@H](CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC001592674775 979086477 /nfs/dbraw/zinc/08/64/77/979086477.db2.gz MBHMEQDBFBJWBU-GFCCVEGCSA-N -1 3 393.846 3.819 20 0 GHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(F)F ZINC000452247711 1014551924 /nfs/dbraw/zinc/55/19/24/1014551924.db2.gz NIJVPOPRMQGQFC-KRWDZBQOSA-N -1 3 396.459 3.878 20 0 GHADHM CC[C@@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC001595153363 979652843 /nfs/dbraw/zinc/65/28/43/979652843.db2.gz WWDYFDBUCSTBHP-KKSFZXQISA-N -1 3 395.503 3.833 20 0 GHADHM CC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccc(OC)cc1 ZINC001595287052 980365983 /nfs/dbraw/zinc/36/59/83/980365983.db2.gz LUQWXICOAMRFDN-OAHLLOKOSA-N -1 3 388.489 3.623 20 0 GHADHM CC[C@H]1CN(Cc2ccccc2O[C@@H](C)C(=O)[O-])CCN1Cc1ccccc1 ZINC001595491004 981244540 /nfs/dbraw/zinc/24/45/40/981244540.db2.gz JXLQJLPIGFTHDW-RXVVDRJESA-N -1 3 382.504 3.635 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccco1 ZINC001594993753 982866115 /nfs/dbraw/zinc/86/61/15/982866115.db2.gz BAZPPFUEODDYDB-ZWNOBZJWSA-N -1 3 381.379 3.507 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccco1 ZINC001594995365 982893059 /nfs/dbraw/zinc/89/30/59/982893059.db2.gz WBMXRZYUHWHGMC-SJKOYZFVSA-N -1 3 384.436 3.710 20 0 GHADHM CCOC(=O)C1=CC[C@@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001596564736 984447863 /nfs/dbraw/zinc/44/78/63/984447863.db2.gz GNXFLXUAKVKRLI-HXUWFJFHSA-N -1 3 395.455 3.705 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001596593879 984536694 /nfs/dbraw/zinc/53/66/94/984536694.db2.gz FRIMTKVRBGUQSY-LJQANCHMSA-N -1 3 384.476 3.662 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1OC(C)C ZINC000544845967 1015093131 /nfs/dbraw/zinc/09/31/31/1015093131.db2.gz FUHMNQNOAHCNPP-ZDUSSCGKSA-N -1 3 377.462 3.607 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000468005783 1015131896 /nfs/dbraw/zinc/13/18/96/1015131896.db2.gz PDCPEGWDSZUIFW-UHFFFAOYSA-N -1 3 392.246 3.661 20 0 GHADHM Cc1c(Br)cccc1CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001599972372 986028440 /nfs/dbraw/zinc/02/84/40/986028440.db2.gz KSDWTXHMSDVYGZ-KRWDZBQOSA-N -1 3 376.250 3.608 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001589439551 986775652 /nfs/dbraw/zinc/77/56/52/986775652.db2.gz YPOYYCNJSWGUCS-ZHRRBRCNSA-N -1 3 382.460 3.993 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001597456855 987866231 /nfs/dbraw/zinc/86/62/31/987866231.db2.gz MUYNTSUJGLITFD-QFIPXVFZSA-N -1 3 381.476 3.733 20 0 GHADHM CS[C@H]1CC[C@H](N(C)Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001599787762 987953140 /nfs/dbraw/zinc/95/31/40/987953140.db2.gz HPPQXCBZHKFBAE-QWRGUYRKSA-N -1 3 398.326 3.670 20 0 GHADHM CCc1ccc([C@H](NC(=O)CN(CCC(=O)[O-])C(C)C)c2cccs2)cc1 ZINC001597514788 988123825 /nfs/dbraw/zinc/12/38/25/988123825.db2.gz SUKFODYYTNAMLU-NRFANRHFSA-N -1 3 388.533 3.701 20 0 GHADHM CSc1ccc(OCCN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001599820131 988498729 /nfs/dbraw/zinc/49/87/29/988498729.db2.gz MWNHZGYRPIPURV-INIZCTEOSA-N -1 3 386.517 3.696 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(CCCc2ccccc2Cl)[C@@H](C(=O)[O-])C1 ZINC001590035009 989053285 /nfs/dbraw/zinc/05/32/85/989053285.db2.gz OWEFWVVCSYJPEQ-QGZVFWFLSA-N -1 3 396.915 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001590042222 989072083 /nfs/dbraw/zinc/07/20/83/989072083.db2.gz INERIBISLKKGAX-OAHLLOKOSA-N -1 3 398.450 3.641 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1(C)C ZINC001590146769 989421939 /nfs/dbraw/zinc/42/19/39/989421939.db2.gz FPJUUOLXMBPUCS-QGZVFWFLSA-N -1 3 399.491 3.668 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CN[C@@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001590315276 989744280 /nfs/dbraw/zinc/74/42/80/989744280.db2.gz OBKDMFPXTSIGGR-NRFANRHFSA-N -1 3 385.464 3.908 20 0 GHADHM CN(C)C(=O)Sc1cccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001598145960 990620144 /nfs/dbraw/zinc/62/01/44/990620144.db2.gz UWMSGKLTHCCZEQ-ZDUSSCGKSA-N -1 3 391.518 3.605 20 0 GHADHM CN(C)C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC001598202549 990823687 /nfs/dbraw/zinc/82/36/87/990823687.db2.gz GQDLHMSFCXVAJO-INIZCTEOSA-N -1 3 381.259 3.724 20 0 GHADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598228854 990923370 /nfs/dbraw/zinc/92/33/70/990923370.db2.gz CDRFFUKVIJAJMO-UHFFFAOYSA-N -1 3 399.875 3.835 20 0 GHADHM CC(C)[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC001591025370 991324923 /nfs/dbraw/zinc/32/49/23/991324923.db2.gz QPRDCIBBZHXGRJ-QGZVFWFLSA-N -1 3 395.381 3.724 20 0 GHADHM CN(C[C@H](O)c1cccc(Br)c1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001598436877 991835357 /nfs/dbraw/zinc/83/53/57/991835357.db2.gz KNGHRHARBKGECR-JKSUJKDBSA-N -1 3 398.684 3.894 20 0 GHADHM C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593198007 994167764 /nfs/dbraw/zinc/16/77/64/994167764.db2.gz NBXNYRHTCXULLZ-UONOGXRCSA-N -1 3 382.485 3.955 20 0 GHADHM COc1cccc([C@H](C(=O)[O-])N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001599650412 994490025 /nfs/dbraw/zinc/49/00/25/994490025.db2.gz LVQBJMJHGRIISQ-GOSISDBHSA-N -1 3 395.286 3.950 20 0 GHADHM COc1cccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2C)N2CCCC2)c1 ZINC001599657291 994602376 /nfs/dbraw/zinc/60/23/76/994602376.db2.gz MFDRMYKEZGUSOE-FQEVSTJZSA-N -1 3 397.475 3.660 20 0 GHADHM C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593353610 994982525 /nfs/dbraw/zinc/98/25/25/994982525.db2.gz BLNVOTOEXHBUEX-HZPDHXFCSA-N -1 3 376.456 3.894 20 0 GHADHM C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001593459042 995371516 /nfs/dbraw/zinc/37/15/16/995371516.db2.gz NBVRFTOZXFBDJP-CYBMUJFWSA-N -1 3 378.266 3.530 20 0 GHADHM C[C@H](Oc1ccccc1CNC[C@H](c1ccccc1Cl)N(C)C)C(=O)[O-] ZINC001593646604 995987318 /nfs/dbraw/zinc/98/73/18/995987318.db2.gz SZJDVGJBNAUQRJ-KBXCAEBGSA-N -1 3 376.884 3.584 20 0 GHADHM C[C@@H](Oc1ccccc1CNC[C@@H](O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001593646878 995990262 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3 381.341 3.681 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC001154495524 1032142370 /nfs/dbraw/zinc/14/23/70/1032142370.db2.gz FASJPTLNRWDYNF-ZFWWWQNUSA-N -1 3 395.459 3.691 20 0 GHADHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)c(OC)c1 ZINC001599558265 998135281 /nfs/dbraw/zinc/13/52/81/998135281.db2.gz BTMZQFSHRNWYJQ-KRWDZBQOSA-N -1 3 394.265 3.724 20 0 GHADHM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001599373328 998446121 /nfs/dbraw/zinc/44/61/21/998446121.db2.gz LQEWAUDICIKFGS-LJQANCHMSA-N -1 3 397.475 3.660 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2cccs2)CC1 ZINC001594422137 999573102 /nfs/dbraw/zinc/57/31/02/999573102.db2.gz OAWRBCLGLYXDID-BRWVUGGUSA-N -1 3 378.538 3.528 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)CN(C)C(C3CC3)C3CC3)c2C(=O)[O-])C1 ZINC001594441625 999627517 /nfs/dbraw/zinc/62/75/17/999627517.db2.gz GMIKZCKHVRISME-NSHDSACASA-N -1 3 376.522 3.630 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000469056199 1016383017 /nfs/dbraw/zinc/38/30/17/1016383017.db2.gz VMPFIRKFZSHJSY-UHFFFAOYSA-N -1 3 391.489 3.616 20 0 GHADHM COc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc(OC)c1[O-] ZINC000547288968 1016883556 /nfs/dbraw/zinc/88/35/56/1016883556.db2.gz GFJCTBRTCZLDMM-UHFFFAOYSA-N -1 3 397.471 3.761 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCOC[C@H]3c3ccc(Cl)cc3)c2c1 ZINC001154510861 1032152607 /nfs/dbraw/zinc/15/26/07/1032152607.db2.gz OMESHQZMOIHTDX-SFHVURJKSA-N -1 3 398.846 3.816 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2Cl)CC1)c1cccnc1C(F)(F)F ZINC000557838985 1017055944 /nfs/dbraw/zinc/05/59/44/1017055944.db2.gz NQENVTHUXZFCNE-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3C[C@H]4[C@@H](C3)CCC[C@H]4OCC3CC3)c2c1 ZINC001154512503 1032154599 /nfs/dbraw/zinc/15/45/99/1032154599.db2.gz FXCKYFDJFDKJNI-FYINFDKHSA-N -1 3 396.487 3.616 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)NCc3coc(-c4ccc(F)cc4)n3)c2c1 ZINC001154518820 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AXKJSQRPEJFRSR-ZDUSSCGKSA-N -1 3 399.476 3.512 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)nnn1Cc1ccccc1F ZINC000558908277 1017313044 /nfs/dbraw/zinc/31/30/44/1017313044.db2.gz WPMZIPPZRAEJPA-UHFFFAOYSA-N -1 3 376.391 3.885 20 0 GHADHM Cc1ccc(C(=O)c2[nH]c3ccccc3c2C(=O)NCc2ncccc2[O-])cc1 ZINC001155774607 1032699412 /nfs/dbraw/zinc/69/94/12/1032699412.db2.gz YONHDZGTIPHGGF-UHFFFAOYSA-N -1 3 385.423 3.738 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc2[nH]ccc2c(C(=O)NCc2ncccc2[O-])c1 ZINC001155787620 1032706331 /nfs/dbraw/zinc/70/63/31/1032706331.db2.gz ZDDAIZBWNPABAH-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000929939975 1017760622 /nfs/dbraw/zinc/76/06/22/1017760622.db2.gz ATKVAIKDHMICLQ-OAHLLOKOSA-N -1 3 382.489 3.780 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCC[C@@H](C(F)(F)F)O3)cc2)n1 ZINC000930688623 1017860877 /nfs/dbraw/zinc/86/08/77/1017860877.db2.gz XIQNZYUMWYJLEC-CABCVRRESA-N -1 3 395.381 3.574 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)cc2)n1 ZINC000930688626 1017861747 /nfs/dbraw/zinc/86/17/47/1017861747.db2.gz XIQNZYUMWYJLEC-LSDHHAIUSA-N -1 3 395.381 3.574 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC[C@H](C)F)cc1 ZINC000931619521 1018012739 /nfs/dbraw/zinc/01/27/39/1018012739.db2.gz DFHCKAVQZGSPHU-HNNXBMFYSA-N -1 3 393.484 3.974 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)on1 ZINC000562053897 1018020526 /nfs/dbraw/zinc/02/05/26/1018020526.db2.gz RKZMLBCTPSLMCY-UHFFFAOYSA-N -1 3 376.478 3.576 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000562884006 1018750838 /nfs/dbraw/zinc/75/08/38/1018750838.db2.gz BYJVXDVUEPPHIF-HOTGVXAUSA-N -1 3 394.397 3.645 20 0 GHADHM CCOC(=O)C[C@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])C(F)(F)F ZINC001228153014 1032811333 /nfs/dbraw/zinc/81/13/33/1032811333.db2.gz XRQGBMZKUBQUBC-INIZCTEOSA-N -1 3 382.334 3.886 20 0 GHADHM [O-]c1cccc(Nc2cccc(CCN3CCOCC3)c2)c1Br ZINC001204396661 1032821182 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CSc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Br ZINC000630522980 1020828590 /nfs/dbraw/zinc/82/85/90/1020828590.db2.gz DKCNXVKZCZTVOP-MRVPVSSYSA-N -1 3 383.189 3.548 20 0 GHADHM CCCCc1nc(NC(=O)c2nc(Cl)ccc2Cl)c(C(=O)OCC)[n-]1 ZINC000191961965 1020833592 /nfs/dbraw/zinc/83/35/92/1020833592.db2.gz HOLQOYHCSWJVPT-UHFFFAOYSA-N -1 3 385.251 3.883 20 0 GHADHM O=C(NCc1cnn(Cc2ccccc2)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646680350 1021139286 /nfs/dbraw/zinc/13/92/86/1021139286.db2.gz CKFRHGWEIDEPPD-UHFFFAOYSA-N -1 3 375.350 3.586 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC(F)(C2CC2)CC1 ZINC000834579829 1021280103 /nfs/dbraw/zinc/28/01/03/1021280103.db2.gz LRJMBBNEDHNNPL-UHFFFAOYSA-N -1 3 393.256 3.645 20 0 GHADHM Cc1cc(C)c(/C=C/C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1C ZINC001140270442 1021294919 /nfs/dbraw/zinc/29/49/19/1021294919.db2.gz AWZMSSISECEDAY-PIIXRYACSA-N -1 3 381.476 3.505 20 0 GHADHM COc1ccc(-c2nc(COC(=O)c3cc(F)cc4[n-]nnc43)cs2)cc1 ZINC000800260226 1021299424 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GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2cccc([O-])c2Br)C1 ZINC001140550673 1021952806 /nfs/dbraw/zinc/95/28/06/1021952806.db2.gz XZUWGPYTWBKMTJ-ZIAGYGMSSA-N -1 3 397.313 3.596 20 0 GHADHM CN(CCCCNC(=O)OC(C)(C)C)Cc1cccc([O-])c1Br ZINC001140553106 1021955906 /nfs/dbraw/zinc/95/59/06/1021955906.db2.gz UXQOGLWMWGYKLS-UHFFFAOYSA-N -1 3 387.318 3.891 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@]12C[C@H]1CCC2 ZINC001156402878 1033019734 /nfs/dbraw/zinc/01/97/34/1033019734.db2.gz XHKDTXAYCVLDNO-XQFWAAQXSA-N -1 3 378.472 3.560 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c(=O)[n-]1 ZINC000754220850 1022542450 /nfs/dbraw/zinc/54/24/50/1022542450.db2.gz VCCPLJZZNTXRAM-UHFFFAOYSA-N -1 3 386.452 3.636 20 0 GHADHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)c([O-])c(Cl)c1)C2 ZINC001140831387 1022651638 /nfs/dbraw/zinc/65/16/38/1022651638.db2.gz MPYKTYXVBVEBKV-UHFFFAOYSA-N -1 3 383.323 3.752 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(C)CC3(Cl)Cl)cc2)cc(=O)[n-]1 ZINC000836232356 1022752668 /nfs/dbraw/zinc/75/26/68/1022752668.db2.gz SHQSJFUEUOEZLN-MRXNPFEDSA-N -1 3 381.263 3.863 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140889510 1022806746 /nfs/dbraw/zinc/80/67/46/1022806746.db2.gz UGDXEPWZHDNFDO-UHFFFAOYSA-N -1 3 398.453 3.961 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4ccc([O-])c(F)c4F)C3)CC2=O)s1 ZINC001140890274 1022809722 /nfs/dbraw/zinc/80/97/22/1022809722.db2.gz AQSQZJXTIUQMMC-IBGZPJMESA-N -1 3 378.444 3.669 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001140896168 1022824665 /nfs/dbraw/zinc/82/46/65/1022824665.db2.gz NMQYSGMBAFKVHO-INIZCTEOSA-N -1 3 393.462 3.674 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000836398335 1022942765 /nfs/dbraw/zinc/94/27/65/1022942765.db2.gz MDAKXEKQNKDYOT-UHFFFAOYSA-N -1 3 398.765 3.676 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000836398335 1022942769 /nfs/dbraw/zinc/94/27/69/1022942769.db2.gz MDAKXEKQNKDYOT-UHFFFAOYSA-N -1 3 398.765 3.676 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000755974314 1023460105 /nfs/dbraw/zinc/46/01/05/1023460105.db2.gz OHVYRRJABNBQKY-OAHLLOKOSA-N -1 3 389.320 3.656 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228856912 1033139552 /nfs/dbraw/zinc/13/95/52/1033139552.db2.gz HLNYDYVDJMNYOI-SCLBCKFNSA-N -1 3 375.465 3.936 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000756321264 1023589503 /nfs/dbraw/zinc/58/95/03/1023589503.db2.gz IWJQOXWXQUJKEW-KRWDZBQOSA-N -1 3 385.460 3.723 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccccc1 ZINC000756384423 1023623084 /nfs/dbraw/zinc/62/30/84/1023623084.db2.gz PFVBITPRWWQHFJ-KBXCAEBGSA-N -1 3 385.464 3.980 20 0 GHADHM Cc1c([C@@H](C)[N-]C(=O)C(F)(F)c2nccs2)cnn1-c1ccc(F)cc1 ZINC000756645453 1023751277 /nfs/dbraw/zinc/75/12/77/1023751277.db2.gz KYHNEBIVJVBKJI-SNVBAGLBSA-N -1 3 380.395 3.746 20 0 GHADHM O=C([N-]Cc1cccnc1Oc1cccc(F)c1)C(F)(F)c1nccs1 ZINC000756653878 1023755726 /nfs/dbraw/zinc/75/57/26/1023755726.db2.gz VJMHBECHNUBNPE-UHFFFAOYSA-N -1 3 379.363 3.878 20 0 GHADHM CCOC(=O)c1sc([C@H](C)[N-]C(=O)C(F)(F)c2ccc(F)cc2)nc1C ZINC000757025370 1023911484 /nfs/dbraw/zinc/91/14/84/1023911484.db2.gz WUSMMIFOOAYLHI-JTQLQIEISA-N -1 3 386.395 3.737 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000837239042 1024268391 /nfs/dbraw/zinc/26/83/91/1024268391.db2.gz JHOGVZGMRIDSHK-GOEBONIOSA-N -1 3 376.497 3.578 20 0 GHADHM COc1c(Br)c(C)sc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837551054 1024545602 /nfs/dbraw/zinc/54/56/02/1024545602.db2.gz GKSQDWVAOYCQGW-UHFFFAOYSA-N -1 3 399.266 3.558 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cs2)cc1 ZINC000837609273 1024584068 /nfs/dbraw/zinc/58/40/68/1024584068.db2.gz BHFIKCYTXIUBCO-UHFFFAOYSA-N -1 3 381.457 3.772 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CC[C@@](CO)(C(F)(F)F)C3)cc2)c1 ZINC001141351046 1024663741 /nfs/dbraw/zinc/66/37/41/1024663741.db2.gz YPHICDYUVHKTMR-LJQANCHMSA-N -1 3 379.378 3.799 20 0 GHADHM CN1C(=O)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1c1ccccc1 ZINC001138336949 1024698233 /nfs/dbraw/zinc/69/82/33/1024698233.db2.gz QCURAXMWFWSGAY-JOCHJYFZSA-N -1 3 388.423 3.798 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000837786597 1024710239 /nfs/dbraw/zinc/71/02/39/1024710239.db2.gz RNEHNWORKZYZLI-GOSISDBHSA-N -1 3 381.806 3.910 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC[C@H](Oc4ncccn4)C3)cc2)c1 ZINC001141361082 1024712722 /nfs/dbraw/zinc/71/27/22/1024712722.db2.gz UMXICHUQRJIDER-NRFANRHFSA-N -1 3 389.455 3.885 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)CCCC(C)C ZINC001141365204 1024731121 /nfs/dbraw/zinc/73/11/21/1024731121.db2.gz SRYRLQXPMAULPX-CQSZACIVSA-N -1 3 397.475 3.937 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(OC(F)F)cc1 ZINC001141454963 1025101459 /nfs/dbraw/zinc/10/14/59/1025101459.db2.gz WZFHVKFZOLMNBU-VIFPVBQESA-N -1 3 394.324 3.899 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838840389 1025392113 /nfs/dbraw/zinc/39/21/13/1025392113.db2.gz YBBYXDAVUUKNGE-OCCSQVGLSA-N -1 3 399.329 3.890 20 0 GHADHM CCOC(=O)C[C@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229099600 1033280388 /nfs/dbraw/zinc/28/03/88/1033280388.db2.gz MGURMRAUAIDJMB-AWEZNQCLSA-N -1 3 381.222 3.934 20 0 GHADHM C[C@@H](Oc1cc(O)cc([O-])c1Br)c1cc(Br)no1 ZINC001229096878 1033276584 /nfs/dbraw/zinc/27/65/84/1033276584.db2.gz LGODUERXRWAPSW-RXMQYKEDSA-N -1 3 379.004 3.751 20 0 GHADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000838895467 1025424195 /nfs/dbraw/zinc/42/41/95/1025424195.db2.gz QPCNYERVOISPKP-CRAIPNDOSA-N -1 3 398.507 3.584 20 0 GHADHM O=C(NCc1ccccc1Cn1cncn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001138890112 1025534675 /nfs/dbraw/zinc/53/46/75/1025534675.db2.gz QWPRODICQKRHBB-UHFFFAOYSA-N -1 3 398.466 3.553 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)cc1 ZINC001138925655 1025593477 /nfs/dbraw/zinc/59/34/77/1025593477.db2.gz SZTKNXFBTKHHIH-HXUWFJFHSA-N -1 3 389.879 3.985 20 0 GHADHM CC(=O)c1ccsc1[N-]C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000839365822 1025853369 /nfs/dbraw/zinc/85/33/69/1025853369.db2.gz MKDFUZBAHMUWCZ-UHFFFAOYSA-N -1 3 399.440 3.665 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])N1CCc2ccccc21 ZINC001141621875 1025930140 /nfs/dbraw/zinc/93/01/40/1025930140.db2.gz CZYUHFOWOGUEHX-LBPRGKRZSA-N -1 3 375.266 3.935 20 0 GHADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885550 1025953934 /nfs/dbraw/zinc/95/39/34/1025953934.db2.gz UWDIRXCHZGIGCA-CYBMUJFWSA-N -1 3 380.448 3.731 20 0 GHADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885550 1025953939 /nfs/dbraw/zinc/95/39/39/1025953939.db2.gz UWDIRXCHZGIGCA-CYBMUJFWSA-N -1 3 380.448 3.731 20 0 GHADHM CN(CCCc1ccccc1)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139240256 1026090725 /nfs/dbraw/zinc/09/07/25/1026090725.db2.gz DOPJNFMXOZCYRM-UHFFFAOYSA-N -1 3 392.293 3.977 20 0 GHADHM COc1cccc(C2CCN(Cc3cccc(OC)c3OCC(=O)[O-])CC2)c1 ZINC001139270926 1026117423 /nfs/dbraw/zinc/11/74/23/1026117423.db2.gz MSPHIPOCFJRZSM-UHFFFAOYSA-N -1 3 385.460 3.547 20 0 GHADHM COc1ccccc1C1CCN(Cc2cccc(OC)c2OCC(=O)[O-])CC1 ZINC001139271635 1026119156 /nfs/dbraw/zinc/11/91/56/1026119156.db2.gz NLRKYGJSXVURMZ-UHFFFAOYSA-N -1 3 385.460 3.547 20 0 GHADHM CC(C)Nc1cccc(F)c1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001163744236 1026300592 /nfs/dbraw/zinc/30/05/92/1026300592.db2.gz NZSQONOWMRZRHS-UHFFFAOYSA-N -1 3 399.875 3.923 20 0 GHADHM Cn1c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nnc1-c1ccccc1 ZINC001164602576 1026564853 /nfs/dbraw/zinc/56/48/53/1026564853.db2.gz CLRZDVIGVAYKFB-UHFFFAOYSA-N -1 3 375.457 3.937 20 0 GHADHM COC(=O)[C@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]1c1ccccc1 ZINC001165207710 1026667190 /nfs/dbraw/zinc/66/71/90/1026667190.db2.gz PGMLXFSEVAIXOT-SMDDNHRTSA-N -1 3 399.850 3.704 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1oc2ccccc2c1Br ZINC001141843438 1027414580 /nfs/dbraw/zinc/41/45/80/1027414580.db2.gz ICLIIDKBOHKASQ-UHFFFAOYSA-N -1 3 398.220 3.552 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1oc2ccccc2c1Br ZINC001141843438 1027414588 /nfs/dbraw/zinc/41/45/88/1027414588.db2.gz ICLIIDKBOHKASQ-UHFFFAOYSA-N -1 3 398.220 3.552 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c(OC(C)C)c1 ZINC001141843560 1027414821 /nfs/dbraw/zinc/41/48/21/1027414821.db2.gz MQVHHNJIXKQAQU-UHFFFAOYSA-N -1 3 395.463 3.619 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c(OC(C)C)c1 ZINC001141843560 1027414830 /nfs/dbraw/zinc/41/48/30/1027414830.db2.gz MQVHHNJIXKQAQU-UHFFFAOYSA-N -1 3 395.463 3.619 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1cccc(Cl)c1 ZINC001210341942 1027460128 /nfs/dbraw/zinc/46/01/28/1027460128.db2.gz XMVPROPWIZEFLF-OAHLLOKOSA-N -1 3 375.824 3.593 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)N(C)C)c(F)cc1F ZINC001210405892 1027493768 /nfs/dbraw/zinc/49/37/68/1027493768.db2.gz NXWOTYXYBYUENX-MRXNPFEDSA-N -1 3 388.867 3.508 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1 ZINC001210458293 1027519474 /nfs/dbraw/zinc/51/94/74/1027519474.db2.gz LJQKGJUZMCEIHH-KRWDZBQOSA-N -1 3 396.495 3.579 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@H]1COc2c1cccc2Cl ZINC001210810759 1027660699 /nfs/dbraw/zinc/66/06/99/1027660699.db2.gz RNTAZFHKWQDYQT-AWEZNQCLSA-N -1 3 376.236 3.686 20 0 GHADHM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1Nc1cccc(O)c1Cl)OCC ZINC001210853980 1027679222 /nfs/dbraw/zinc/67/92/22/1027679222.db2.gz STVYXFCORQWVDW-UHFFFAOYSA-N -1 3 385.873 3.515 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2(CC(C)C)CC2)c(C)c1Cl ZINC001210893981 1027698238 /nfs/dbraw/zinc/69/82/38/1027698238.db2.gz KVMSQSSAPOEKCM-UHFFFAOYSA-N -1 3 379.931 3.601 20 0 GHADHM COc1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(N)cn1 ZINC001211015475 1027752109 /nfs/dbraw/zinc/75/21/09/1027752109.db2.gz BNMKZAFUUCWPBA-UHFFFAOYSA-N -1 3 384.461 3.525 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cncc(-c2ccccc2)c1)OCC ZINC001211022565 1027758983 /nfs/dbraw/zinc/75/89/83/1027758983.db2.gz YXBDTKDCMNODGC-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001142037111 1027928135 /nfs/dbraw/zinc/92/81/35/1027928135.db2.gz SUCKUJIOQOMOSS-XFXZXTDPSA-N -1 3 377.301 3.835 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC001211458755 1027968942 /nfs/dbraw/zinc/96/89/42/1027968942.db2.gz FLMNEOQFMHRIBM-SGANQWHYSA-N -1 3 392.546 3.618 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cnc(Cl)c(Cl)c1 ZINC001213184962 1028032005 /nfs/dbraw/zinc/03/20/05/1028032005.db2.gz XBGTUGWOWBYIGN-IACUBPJLSA-N -1 3 389.691 3.658 20 0 GHADHM O=C([N-]CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)c1cc(F)cc(F)c1 ZINC001461320690 1069498236 /nfs/dbraw/zinc/49/82/36/1069498236.db2.gz SGPSVXNNJBTMCW-UHFFFAOYSA-N -1 3 391.267 3.737 20 0 GHADHM Cc1cc(Br)c(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1F ZINC001213261186 1028075004 /nfs/dbraw/zinc/07/50/04/1028075004.db2.gz IMHMTIPMANFPII-UHFFFAOYSA-N -1 3 391.200 3.987 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC12CC2)c1cc(Br)ccc1Cl ZINC001213306705 1028100915 /nfs/dbraw/zinc/10/09/15/1028100915.db2.gz OFEIZKFUUUSFQK-SNVBAGLBSA-N -1 3 378.719 3.961 20 0 GHADHM O=S(=O)([N-][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC001213450671 1028198667 /nfs/dbraw/zinc/19/86/67/1028198667.db2.gz HCRUCLNIYFOYKF-IAQYHMDHSA-N -1 3 397.846 3.842 20 0 GHADHM Clc1cc(-c2nc(-c3cccc(-n4cc(Br)cn4)c3)no2)[n-]n1 ZINC001213500232 1028228483 /nfs/dbraw/zinc/22/84/83/1028228483.db2.gz CRRUWJMCAMRBRG-UHFFFAOYSA-N -1 3 391.616 3.728 20 0 GHADHM CC1(C)CO[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC001213679367 1028325258 /nfs/dbraw/zinc/32/52/58/1028325258.db2.gz CXONXLKXJVDFHI-NSHDSACASA-N -1 3 385.835 3.842 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cc(F)cc(I)c3)no2)n1 ZINC001213699563 1028339696 /nfs/dbraw/zinc/33/96/96/1028339696.db2.gz QDUFOOAVYGVISB-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001213711473 1028344140 /nfs/dbraw/zinc/34/41/40/1028344140.db2.gz GFBSUZBKPVZFQG-ZNSHCXBVSA-N -1 3 378.719 3.673 20 0 GHADHM COc1cc([C@H](C)[N-]S(=O)(=O)c2ccc(F)nc2F)cc2ccccc21 ZINC001213955713 1028470951 /nfs/dbraw/zinc/47/09/51/1028470951.db2.gz VMYADHYLGXKDCU-NSHDSACASA-N -1 3 378.400 3.561 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(Br)cc(F)c3F)no2)[n-]1 ZINC001213977160 1028484910 /nfs/dbraw/zinc/48/49/10/1028484910.db2.gz OXEBZVROYHSBTG-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccccc3CN3CCSC3=O)no2)[n-]1 ZINC001213977227 1028485263 /nfs/dbraw/zinc/48/52/63/1028485263.db2.gz RSRABEIGWBIHRB-UHFFFAOYSA-N -1 3 398.444 3.577 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)c(F)c3)no2)[n-]1 ZINC001213977264 1028486606 /nfs/dbraw/zinc/48/66/06/1028486606.db2.gz UEAKANFQFKMTSA-UHFFFAOYSA-N -1 3 385.273 3.946 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)(C)C)cc1F ZINC001213978625 1028486693 /nfs/dbraw/zinc/48/66/93/1028486693.db2.gz KZQKIBRNOKQDLD-KRWDZBQOSA-N -1 3 384.448 3.743 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)cn2)c(F)c1F ZINC001214019257 1028507546 /nfs/dbraw/zinc/50/75/46/1028507546.db2.gz IRXWAPMDGVMVBV-UHFFFAOYSA-N -1 3 390.411 3.939 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1C1CCCC1)c1cnc(Cl)c(Br)c1 ZINC001214075174 1028536206 /nfs/dbraw/zinc/53/62/06/1028536206.db2.gz HGCKCQUGUAWKGC-ZYHUDNBSSA-N -1 3 393.734 3.602 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC001214330448 1028676979 /nfs/dbraw/zinc/67/69/79/1028676979.db2.gz NZUVGGOQLKETSZ-CQSZACIVSA-N -1 3 393.472 3.597 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc4scnc43)CCCCCC2)no1 ZINC000841477121 1028680748 /nfs/dbraw/zinc/68/07/48/1028680748.db2.gz NQBMEGLRZFCGJN-UHFFFAOYSA-N -1 3 392.506 3.516 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000841561040 1028730663 /nfs/dbraw/zinc/73/06/63/1028730663.db2.gz PSMKYOAYMIYRRK-JSGCOSHPSA-N -1 3 388.320 3.650 20 0 GHADHM COC(=O)c1cnc(Nc2c(Cl)ccc([O-])c2F)c(Br)c1 ZINC001214554047 1028790716 /nfs/dbraw/zinc/79/07/16/1028790716.db2.gz IIMQIMVXFMFNOJ-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM COC(=O)c1nc(Br)sc1[N-]c1c(Cl)ccc(O)c1F ZINC001214559350 1028793451 /nfs/dbraw/zinc/79/34/51/1028793451.db2.gz NBLSKFWCNPZKSI-UHFFFAOYSA-N -1 3 381.610 3.934 20 0 GHADHM O=C([O-])CCCCCCCNCc1ccccc1I ZINC000841795732 1028940860 /nfs/dbraw/zinc/94/08/60/1028940860.db2.gz WJPMMHHWRAQHDL-UHFFFAOYSA-N -1 3 375.250 3.806 20 0 GHADHM Cc1ccccc1C[C@@H](CNCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000841794080 1028941281 /nfs/dbraw/zinc/94/12/81/1028941281.db2.gz SZHISELTJWEBSY-IBGZPJMESA-N -1 3 397.906 3.926 20 0 GHADHM Cc1cccc(N2C[C@@]3(CCN(Cc4ccc(Cl)cc4C(=O)[O-])C3)CC2=O)c1 ZINC001142653284 1029212696 /nfs/dbraw/zinc/21/26/96/1029212696.db2.gz KAMXAQNMRAJHDZ-QFIPXVFZSA-N -1 3 398.890 3.976 20 0 GHADHM CSc1nc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)n[n-]1 ZINC001142713680 1029314321 /nfs/dbraw/zinc/31/43/21/1029314321.db2.gz YQWXQTYUPLPQOM-UHFFFAOYSA-N -1 3 389.872 3.583 20 0 GHADHM COc1ccccc1C(C)(C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC001142720682 1029331901 /nfs/dbraw/zinc/33/19/01/1029331901.db2.gz VCEISHLEAYAMOD-UHFFFAOYSA-N -1 3 378.266 3.871 20 0 GHADHM CN1CCN(Cc2cccc(-c3noc(-c4ccc(Cl)c([O-])c4)n3)c2)CC1 ZINC001215804471 1029398470 /nfs/dbraw/zinc/39/84/70/1029398470.db2.gz WKXCHCRYPMTQNV-UHFFFAOYSA-N -1 3 384.867 3.510 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(Cl)cnc1SC)OCC ZINC001215915066 1029455314 /nfs/dbraw/zinc/45/53/14/1029455314.db2.gz HNVHHMBVVPUNOJ-UHFFFAOYSA-N -1 3 384.889 3.638 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001216121735 1029533431 /nfs/dbraw/zinc/53/34/31/1029533431.db2.gz RRRYSVLJDLIUGV-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001216121735 1029533434 /nfs/dbraw/zinc/53/34/34/1029533434.db2.gz RRRYSVLJDLIUGV-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2ccc(F)c(Br)c2F)no1 ZINC001216727044 1029907146 /nfs/dbraw/zinc/90/71/46/1029907146.db2.gz LKQDAVBJCBSTSW-UHFFFAOYSA-N -1 3 385.120 3.561 20 0 GHADHM Cn1c2ccc(-c3noc(-c4cc(O)ccc4[O-])n3)cc2nc1C(F)(F)F ZINC001216737209 1029912739 /nfs/dbraw/zinc/91/27/39/1029912739.db2.gz UFGIFXRLYAPERP-UHFFFAOYSA-N -1 3 376.294 3.720 20 0 GHADHM [O-]c1ccc(I)c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC001216943922 1030017187 /nfs/dbraw/zinc/01/71/87/1030017187.db2.gz ZKZFSGJKGGQPQY-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3ccc([O-])cc3C(F)(F)F)n2)c1 ZINC001216983382 1030051951 /nfs/dbraw/zinc/05/19/51/1030051951.db2.gz TYSMKGDXIGYRJV-UHFFFAOYSA-N -1 3 393.321 3.761 20 0 GHADHM Cc1ccc(C)c(N2CCN(C(=O)c3c([O-])c(C)nc4ccccc43)CC2)c1 ZINC001149191887 1030085001 /nfs/dbraw/zinc/08/50/01/1030085001.db2.gz YXOBQEQUYMMCIO-UHFFFAOYSA-N -1 3 375.472 3.828 20 0 GHADHM Ic1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217137246 1030189269 /nfs/dbraw/zinc/18/92/69/1030189269.db2.gz VALBPEZZQRIFFL-UHFFFAOYSA-N -1 3 388.168 3.885 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(Cl)nc2ccccc21 ZINC001149659800 1030258987 /nfs/dbraw/zinc/25/89/87/1030258987.db2.gz MPATWOBGLMIPAB-UHFFFAOYSA-N -1 3 396.790 3.853 20 0 GHADHM COc1cc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)ccc1OC1COC1 ZINC001217257316 1030261940 /nfs/dbraw/zinc/26/19/40/1030261940.db2.gz QUAAYDNJBNYWFC-UHFFFAOYSA-N -1 3 398.806 3.720 20 0 GHADHM COc1cc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)ccc1OC1COC1 ZINC001217257316 1030261959 /nfs/dbraw/zinc/26/19/59/1030261959.db2.gz QUAAYDNJBNYWFC-UHFFFAOYSA-N -1 3 398.806 3.720 20 0 GHADHM C[C@@](CO)(Cc1ccccc1F)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001149795983 1030306662 /nfs/dbraw/zinc/30/66/62/1030306662.db2.gz HBKKLPRDVSUOSZ-DEOSSOPVSA-N -1 3 393.458 3.846 20 0 GHADHM Cn1ncc2ccc(-c3noc(-c4nc5cc(Br)ccc5[n-]4)n3)cc21 ZINC001217321578 1030307242 /nfs/dbraw/zinc/30/72/42/1030307242.db2.gz AVFSNOAUYZBSNQ-UHFFFAOYSA-N -1 3 395.220 3.929 20 0 GHADHM Cn1ncc2ccc(-c3noc(-c4nc5ccc(Br)cc5[n-]4)n3)cc21 ZINC001217321578 1030307255 /nfs/dbraw/zinc/30/72/55/1030307255.db2.gz AVFSNOAUYZBSNQ-UHFFFAOYSA-N -1 3 395.220 3.929 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC001217347624 1030326333 /nfs/dbraw/zinc/32/63/33/1030326333.db2.gz IKWPKIGQFWBGDI-UHFFFAOYSA-N -1 3 375.384 3.896 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)C1=O ZINC001217354850 1030331429 /nfs/dbraw/zinc/33/14/29/1030331429.db2.gz LPFVHYOSRVJUAV-UHFFFAOYSA-N -1 3 384.351 3.726 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(OC)ccc2Cl)no1 ZINC001217470680 1030419349 /nfs/dbraw/zinc/41/93/49/1030419349.db2.gz AYDIRDZGTLNRKM-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(OC)ccc4Cl)no3)n[n-]c21 ZINC001217470680 1030419355 /nfs/dbraw/zinc/41/93/55/1030419355.db2.gz AYDIRDZGTLNRKM-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccccc2-c2cnco2)no1 ZINC001217471373 1030420736 /nfs/dbraw/zinc/42/07/36/1030420736.db2.gz PDWNLXBORFKCGR-UHFFFAOYSA-N -1 3 387.355 3.722 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccccc4-c4cnco4)no3)n[n-]c21 ZINC001217471373 1030420743 /nfs/dbraw/zinc/42/07/43/1030420743.db2.gz PDWNLXBORFKCGR-UHFFFAOYSA-N -1 3 387.355 3.722 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc(OC)cc2Cl)no1 ZINC001217471665 1030420766 /nfs/dbraw/zinc/42/07/66/1030420766.db2.gz ZGDPOLJPUFBMAM-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc(OC)cc4Cl)no3)n[n-]c21 ZINC001217471665 1030420778 /nfs/dbraw/zinc/42/07/78/1030420778.db2.gz ZGDPOLJPUFBMAM-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cccc(OC(C)C)c4)no3)c21 ZINC001217512462 1030454031 /nfs/dbraw/zinc/45/40/31/1030454031.db2.gz NSQJXCWFACYMNE-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)ccc1OC(F)F ZINC001150369781 1030509578 /nfs/dbraw/zinc/50/95/78/1030509578.db2.gz XMQOUIAMANJCHA-UHFFFAOYSA-N -1 3 390.155 3.825 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)nc1 ZINC001150477148 1030540070 /nfs/dbraw/zinc/54/00/70/1030540070.db2.gz QECLMQOWZMVHIW-LLVKDONJSA-N -1 3 375.350 3.741 20 0 GHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nnc(-c2ccc(Cl)cc2)o1 ZINC001217751295 1030643160 /nfs/dbraw/zinc/64/31/60/1030643160.db2.gz BVAHKMBKXUKFRC-INIZCTEOSA-N -1 3 397.818 3.835 20 0 GHADHM CC(C)Oc1ncc(Cl)cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001217853419 1030662095 /nfs/dbraw/zinc/66/20/95/1030662095.db2.gz KBXIJWQLGWLJNR-SSDOTTSWSA-N -1 3 392.769 3.542 20 0 GHADHM Cc1noc2nc(C)cc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])c12 ZINC001151047126 1030757643 /nfs/dbraw/zinc/75/76/43/1030757643.db2.gz IWWSQXGPCAKMDZ-UHFFFAOYSA-N -1 3 383.404 3.753 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH]ccc12)c1nc2cc(Br)ccc2[n-]1 ZINC001151826747 1031022462 /nfs/dbraw/zinc/02/24/62/1031022462.db2.gz JTGLUDIJAJXWCM-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH]ccc12)c1nc2ccc(Br)cc2[n-]1 ZINC001151826747 1031022473 /nfs/dbraw/zinc/02/24/73/1031022473.db2.gz JTGLUDIJAJXWCM-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(CCc1ccccc1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001152111886 1031105817 /nfs/dbraw/zinc/10/58/17/1031105817.db2.gz WSXTVHUPKZSOOQ-INIZCTEOSA-N -1 3 390.405 3.818 20 0 GHADHM O=C1N(CC(F)F)CC[C@]12CCCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001276998320 1031128574 /nfs/dbraw/zinc/12/85/74/1031128574.db2.gz FUSZCLALZOXTPA-GOSISDBHSA-N -1 3 390.833 3.654 20 0 GHADHM O=C1N(CCC(F)(F)F)CC[C@]12CCN(Cc1cc(F)c([O-])c(Cl)c1)C2 ZINC001276998849 1031131261 /nfs/dbraw/zinc/13/12/61/1031131261.db2.gz WLMDBIOHDIALLO-INIZCTEOSA-N -1 3 394.796 3.562 20 0 GHADHM O=C(c1cc(=O)[n-]cn1)N(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001152922254 1031396591 /nfs/dbraw/zinc/39/65/91/1031396591.db2.gz MYMSEUPVMOPUKD-UHFFFAOYSA-N -1 3 398.260 3.787 20 0 GHADHM CCC[C@@H](CC(=O)OCC)Oc1cc(C)cc([O-])c1I ZINC001225510881 1031446086 /nfs/dbraw/zinc/44/60/86/1031446086.db2.gz NWVLMFQEADHLSN-NSHDSACASA-N -1 3 392.233 3.806 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)[n-]n1 ZINC001153263701 1031513167 /nfs/dbraw/zinc/51/31/67/1031513167.db2.gz DOYKRTAJQGASSK-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC001153263701 1031513176 /nfs/dbraw/zinc/51/31/76/1031513176.db2.gz DOYKRTAJQGASSK-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c2ccccc12 ZINC001153518523 1031629524 /nfs/dbraw/zinc/62/95/24/1031629524.db2.gz JTEHHDXAQAMJKX-UHFFFAOYSA-N -1 3 375.384 3.845 20 0 GHADHM C[C@@H]1C[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CCN1C(=O)OC(C)(C)C ZINC001225853275 1031653169 /nfs/dbraw/zinc/65/31/69/1031653169.db2.gz NSPOPXYUSZYDTK-ZJUUUORDSA-N -1 3 393.431 3.951 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@@H](COc1ccccc1)c1ccccc1 ZINC001225898434 1031682523 /nfs/dbraw/zinc/68/25/23/1031682523.db2.gz AKXWFFJHTOGYGU-SFHVURJKSA-N -1 3 380.400 3.558 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1OCc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001225900528 1031684414 /nfs/dbraw/zinc/68/44/14/1031684414.db2.gz FHTCUVJDFLUNDK-UHFFFAOYSA-N -1 3 390.436 3.512 20 0 GHADHM CCOC(=O)[C@H]1Cc2cc(F)ccc2N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC001153856599 1031773942 /nfs/dbraw/zinc/77/39/42/1031773942.db2.gz KFPIJKPYVVJFTG-LBPRGKRZSA-N -1 3 377.799 3.567 20 0 GHADHM Cc1ccc(CCNC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c(C)c1 ZINC001153877265 1031788938 /nfs/dbraw/zinc/78/89/38/1031788938.db2.gz CVIMOZDMIJDPNU-UHFFFAOYSA-N -1 3 399.288 3.880 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226117444 1031796040 /nfs/dbraw/zinc/79/60/40/1031796040.db2.gz NEBAXKCGIJROCC-ZIAGYGMSSA-N -1 3 383.489 3.759 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C(F)(F)C1 ZINC001226118007 1031796807 /nfs/dbraw/zinc/79/68/07/1031796807.db2.gz ZCUXANKTFOUEDP-GFCCVEGCSA-N -1 3 387.452 3.666 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3[n-]c(=S)ncc3C3CC3)[C@@H]2C1 ZINC001226125853 1031800912 /nfs/dbraw/zinc/80/09/12/1031800912.db2.gz YVYSGHSNFWMMTI-CFVMTHIKSA-N -1 3 377.510 3.667 20 0 GHADHM O=C(NCc1cc(Cl)nc(Cl)c1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153909626 1031808935 /nfs/dbraw/zinc/80/89/35/1031808935.db2.gz XXBIPJBKLYLNKT-UHFFFAOYSA-N -1 3 382.634 3.813 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc(F)c(F)c1 ZINC001154100624 1031927062 /nfs/dbraw/zinc/92/70/62/1031927062.db2.gz LPQPHSKDNUCGJK-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3F)[n-]c2c1 ZINC001154114678 1031935541 /nfs/dbraw/zinc/93/55/41/1031935541.db2.gz IEGJLDLXSVZHCO-LJQANCHMSA-N -1 3 384.382 3.792 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3c3ccccc3)[n-]c2c1 ZINC001154120686 1031937707 /nfs/dbraw/zinc/93/77/07/1031937707.db2.gz QVNDKMAGZKRSMY-FTJWQGMPSA-N -1 3 388.467 3.849 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC001226477914 1031973274 /nfs/dbraw/zinc/97/32/74/1031973274.db2.gz AGXZADJTXSVXMZ-BLLLJJGKSA-N -1 3 379.453 3.715 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccc(F)cc1 ZINC001226486756 1031978194 /nfs/dbraw/zinc/97/81/94/1031978194.db2.gz XOJSFLATTCXQOX-KRWDZBQOSA-N -1 3 398.333 3.758 20 0 GHADHM O=c1cc(-c2ccccc2)c2ccc([O-])c(OC3CCN(CCF)CC3)c2o1 ZINC001226492571 1031982527 /nfs/dbraw/zinc/98/25/27/1031982527.db2.gz YVNBWFSTJLQHSQ-UHFFFAOYSA-N -1 3 383.419 3.978 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C(=O)c3ccccn3)c3ccccn3)cc12 ZINC001226531726 1031997984 /nfs/dbraw/zinc/99/79/84/1031997984.db2.gz FXRNBGXGINIZGB-JOCHJYFZSA-N -1 3 388.379 3.600 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@H]4C[C@@H]3CN4C(=O)OC(C)(C)C)cc12 ZINC001226536077 1031999759 /nfs/dbraw/zinc/99/97/59/1031999759.db2.gz SUPRSPVMODKWLG-XJKCOSOUSA-N -1 3 387.432 3.584 20 0 GHADHM C[C@@H]1C[C@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CCN1C(=O)OC(C)(C)C ZINC001226550308 1032009019 /nfs/dbraw/zinc/00/90/19/1032009019.db2.gz NXXWLTLABFCRBN-GHMZBOCLSA-N -1 3 394.859 3.551 20 0 GHADHM COc1cccc(CN(CCN(C)C)C(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001154267325 1032012630 /nfs/dbraw/zinc/01/26/30/1032012630.db2.gz SOUOUUUVOZDTKS-UHFFFAOYSA-N -1 3 397.302 3.912 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3c([O-])ccc4ccc(=O)oc43)[C@H]2C1 ZINC001226598076 1032031082 /nfs/dbraw/zinc/03/10/82/1032031082.db2.gz ADRLRRABJKWGFG-DZKIICNBSA-N -1 3 387.432 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)[C@@H](F)CC1 ZINC001226596870 1032031686 /nfs/dbraw/zinc/03/16/86/1032031686.db2.gz ODKLFEJJPADSRG-DZGCQCFKSA-N -1 3 393.411 3.615 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596637 1032031752 /nfs/dbraw/zinc/03/17/52/1032031752.db2.gz NFNJGWBQRLXLHX-CZUORRHYSA-N -1 3 389.448 3.913 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597541 1032033714 /nfs/dbraw/zinc/03/37/14/1032033714.db2.gz UZNZMZGVTHYOON-CZUORRHYSA-N -1 3 389.448 3.913 20 0 GHADHM O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154310594 1032037412 /nfs/dbraw/zinc/03/74/12/1032037412.db2.gz OPEPTYDDRDGBSH-UHFFFAOYSA-N -1 3 389.333 3.887 20 0 GHADHM O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154310594 1032037423 /nfs/dbraw/zinc/03/74/23/1032037423.db2.gz OPEPTYDDRDGBSH-UHFFFAOYSA-N -1 3 389.333 3.887 20 0 GHADHM [O-]c1cccc(OC2CCN(c3cc(Cl)ncn3)CC2)c1Br ZINC001229139037 1033302550 /nfs/dbraw/zinc/30/25/50/1033302550.db2.gz DLLUQMGPBJKVKC-UHFFFAOYSA-N -1 3 384.661 3.646 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2cccc([O-])c2Br)c2ccccc2O1 ZINC001229143258 1033305878 /nfs/dbraw/zinc/30/58/78/1033305878.db2.gz UVRXXSFSWKYTTH-HZPDHXFCSA-N -1 3 393.233 3.989 20 0 GHADHM COc1cc2ccc(=O)oc2c(O[C@@H]2CCCN([C@H](C)c3ccccn3)C2)c1[O-] ZINC001229215852 1033348870 /nfs/dbraw/zinc/34/88/70/1033348870.db2.gz MLKYUEDZRMWGSR-GDBMZVCRSA-N -1 3 396.443 3.507 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1ccc(Br)cc1 ZINC001229337809 1033423686 /nfs/dbraw/zinc/42/36/86/1033423686.db2.gz KZPBVYOZXQSSKX-SNVBAGLBSA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1ccc(Br)cc1 ZINC001229337809 1033423691 /nfs/dbraw/zinc/42/36/91/1033423691.db2.gz KZPBVYOZXQSSKX-SNVBAGLBSA-N -1 3 375.226 3.778 20 0 GHADHM CCOC(=O)N1CCC(Oc2cc(C(=O)c3ccc(C)cc3)ccc2[O-])CC1 ZINC001229537482 1033547166 /nfs/dbraw/zinc/54/71/66/1033547166.db2.gz LGCFTYBWSJABHB-UHFFFAOYSA-N -1 3 383.444 3.931 20 0 GHADHM Cc1ccc(C(=O)c2ccc([O-])c(OC3CCN(c4ncccn4)CC3)c2)cc1 ZINC001229541966 1033548481 /nfs/dbraw/zinc/54/84/81/1033548481.db2.gz JHPJXIHAOZXPEI-UHFFFAOYSA-N -1 3 389.455 3.769 20 0 GHADHM CCOC(=O)N1CCC[C@@H](Oc2cc(C(=O)c3ccc(C)cc3)ccc2[O-])C1 ZINC001229543272 1033550226 /nfs/dbraw/zinc/55/02/26/1033550226.db2.gz YFFDGQVHBKYDHU-GOSISDBHSA-N -1 3 383.444 3.931 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1nc(=S)[n-]c2sccc21 ZINC001229565575 1033561295 /nfs/dbraw/zinc/56/12/95/1033561295.db2.gz JJJRQBVKKPJAMY-MVWJERBFSA-N -1 3 379.507 3.899 20 0 GHADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001229570876 1033564648 /nfs/dbraw/zinc/56/46/48/1033564648.db2.gz VSEWKUZETZIXKQ-XJKSGUPXSA-N -1 3 387.530 3.648 20 0 GHADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC[C@@H](C)OC[C@@H](C)OC)c1 ZINC001229810539 1033732247 /nfs/dbraw/zinc/73/22/47/1033732247.db2.gz JJVJMFBGSGLJCZ-ZIAGYGMSSA-N -1 3 376.449 3.884 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)c([O-])c(OC)c1 ZINC001158237860 1033979891 /nfs/dbraw/zinc/97/98/91/1033979891.db2.gz AVCVUJGGUOXECQ-GOSISDBHSA-N -1 3 387.432 3.682 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001230493191 1034089476 /nfs/dbraw/zinc/08/94/76/1034089476.db2.gz VNCMVROYZWGCBF-SFHVURJKSA-N -1 3 384.819 3.720 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)[nH]n2)cc1C ZINC001158792950 1034273296 /nfs/dbraw/zinc/27/32/96/1034273296.db2.gz UPSYMFWQJLEDEZ-JCNLHEQBSA-N -1 3 391.475 3.645 20 0 GHADHM Cc1ncc(Br)cc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001158982436 1034368015 /nfs/dbraw/zinc/36/80/15/1034368015.db2.gz KIJSHMULPRTWEE-UHFFFAOYSA-N -1 3 394.175 3.525 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001231090040 1034391823 /nfs/dbraw/zinc/39/18/23/1034391823.db2.gz COSKBUJQFCCXEI-CQSZACIVSA-N -1 3 376.840 3.665 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231118035 1034409117 /nfs/dbraw/zinc/40/91/17/1034409117.db2.gz IDJYCUSALQAMGC-FQEVSTJZSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231118035 1034409121 /nfs/dbraw/zinc/40/91/21/1034409121.db2.gz IDJYCUSALQAMGC-FQEVSTJZSA-N -1 3 386.411 3.730 20 0 GHADHM [O-]c1ccc(CN2CCN(c3nccc4occc43)CC2)cc1C(F)(F)F ZINC001231523417 1034674903 /nfs/dbraw/zinc/67/49/03/1034674903.db2.gz VUTZLEDOQAUEPM-UHFFFAOYSA-N -1 3 377.366 3.874 20 0 GHADHM O=C1NCCN(Cc2ccc([O-])c(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC001231526939 1034681136 /nfs/dbraw/zinc/68/11/36/1034681136.db2.gz VOQNYHNREOXBBA-MRXNPFEDSA-N -1 3 384.785 3.738 20 0 GHADHM CCN(CC)C(=O)c1nc2c(s1)CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001231729690 1034866850 /nfs/dbraw/zinc/86/68/50/1034866850.db2.gz ABQCPHKWVGOUCA-UHFFFAOYSA-N -1 3 393.940 3.585 20 0 GHADHM CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(Cl)c([O-])c3)C[C@@H]12 ZINC001231738724 1034872687 /nfs/dbraw/zinc/87/26/87/1034872687.db2.gz SVKQSFOEVDWUPU-FGZHOGPDSA-N -1 3 384.907 3.810 20 0 GHADHM COC(=O)c1ccc([C@H]2CCCCN2Cc2ccccc2OCC(=O)[O-])cc1 ZINC001231795798 1034913361 /nfs/dbraw/zinc/91/33/61/1034913361.db2.gz YRTSADZNOLIAJO-LJQANCHMSA-N -1 3 383.444 3.664 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3cc(Cl)cc4ccccc43)cc2n(C)c1=O ZINC001160469487 1034984421 /nfs/dbraw/zinc/98/44/21/1034984421.db2.gz UMZSLOYESPCJBW-UHFFFAOYSA-N -1 3 381.819 3.642 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(N4CCSCC4)cc3)c(=O)c2c1 ZINC001160860583 1035080923 /nfs/dbraw/zinc/08/09/23/1035080923.db2.gz KFIQFYBBSJOWCF-UHFFFAOYSA-N -1 3 379.485 3.642 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Oc3ccccc3)cc2)s1 ZINC001208901115 1035080922 /nfs/dbraw/zinc/08/09/22/1035080922.db2.gz ILVDJVFEBXMOSF-CYBMUJFWSA-N -1 3 390.486 3.984 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001203195148 1035084501 /nfs/dbraw/zinc/08/45/01/1035084501.db2.gz AQJOPKUIMQLQGD-UHFFFAOYSA-N -1 3 377.491 3.822 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc2c1CCCC2)c1ccco1 ZINC001209013820 1035151526 /nfs/dbraw/zinc/15/15/26/1035151526.db2.gz XRPZBZNRGSEZGZ-GOSISDBHSA-N -1 3 377.506 3.851 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC001161288604 1035202908 /nfs/dbraw/zinc/20/29/08/1035202908.db2.gz DVISOKKXXGUXDE-SBUREZEXSA-N -1 3 385.504 3.931 20 0 GHADHM CC[C@H](C)N1CC[C@]2(CCN(Cc3c(Br)ccc([O-])c3F)C2)C1=O ZINC001276624716 1035209213 /nfs/dbraw/zinc/20/92/13/1035209213.db2.gz UWDVDOUHAPEYIJ-SGTLLEGYSA-N -1 3 399.304 3.517 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1 ZINC001209395344 1035269300 /nfs/dbraw/zinc/26/93/00/1035269300.db2.gz HOBAAVLCGDDHLD-UHFFFAOYSA-N -1 3 387.432 3.634 20 0 GHADHM CCCCCC[C@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)OCC ZINC001209428059 1035272601 /nfs/dbraw/zinc/27/26/01/1035272601.db2.gz CHUSHTVHKWBULY-KRWDZBQOSA-N -1 3 395.443 3.674 20 0 GHADHM O=C(Nc1cnc(Oc2ccccc2)nc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001161701184 1035286425 /nfs/dbraw/zinc/28/64/25/1035286425.db2.gz BQYAZCLLSJVHNU-UHFFFAOYSA-N -1 3 394.337 3.641 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c([O-])c1 ZINC001161769780 1035297404 /nfs/dbraw/zinc/29/74/04/1035297404.db2.gz SRSNKSTZLCCWLY-WBMJQRKESA-N -1 3 375.387 3.753 20 0 GHADHM [O-]c1cccc(CN2CCN(c3cc(F)ccc3F)CC2)c1Br ZINC001461966695 1069919978 /nfs/dbraw/zinc/91/99/78/1069919978.db2.gz ZIAIDXWAGIUHOU-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM COc1ccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)cc1C(=O)[O-] ZINC001241881326 1035741208 /nfs/dbraw/zinc/74/12/08/1035741208.db2.gz SSIMSJSADIWUMF-UHFFFAOYSA-N -1 3 386.467 3.726 20 0 GHADHM O=c1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nn1Cc1ccc(F)cc1 ZINC001244468434 1036516805 /nfs/dbraw/zinc/51/68/05/1036516805.db2.gz WVFZDELWPXMMML-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM COc1cc(NC(=S)Nc2ccc([O-])c(Br)c2)cc(OC)c1 ZINC001244975411 1036719494 /nfs/dbraw/zinc/71/94/94/1036719494.db2.gz UYPDVIGGEBXEOI-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2ccc(Br)c(F)c2)no1 ZINC001247260352 1038037646 /nfs/dbraw/zinc/03/76/46/1038037646.db2.gz DEQUXBOHWRAJMC-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM O=C1NC[C@H](c2ccccc2)[C@@]12CCN(Cc1ccc(Cl)c([O-])c1Cl)C2 ZINC001232626531 1038413620 /nfs/dbraw/zinc/41/36/20/1038413620.db2.gz QOLSQPIJKWUEJJ-QRWLVFNGSA-N -1 3 391.298 3.805 20 0 GHADHM [O-]c1c(F)cc(CN2CC3(CN(Cc4ccccc4)C3)C2)cc1Br ZINC001232633543 1038419382 /nfs/dbraw/zinc/41/93/82/1038419382.db2.gz SJROYCDUHQCCKY-UHFFFAOYSA-N -1 3 391.284 3.612 20 0 GHADHM O=C(c1cccs1)N1CCC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232934972 1038715357 /nfs/dbraw/zinc/71/53/57/1038715357.db2.gz AYWPQGQVTMHMMV-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)CN1c1ccc(F)c(F)c1 ZINC001232936196 1038716262 /nfs/dbraw/zinc/71/62/62/1038716262.db2.gz RIXOSMLRVROCQP-HXUWFJFHSA-N -1 3 394.368 3.578 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232941612 1038720417 /nfs/dbraw/zinc/72/04/17/1038720417.db2.gz ZOICJIVJSJMGBP-MSOLQXFVSA-N -1 3 375.415 3.982 20 0 GHADHM Cc1cccc(CN2CC[C@]3(CCN(Cc4cc([O-])c(F)c(F)c4)C3)C2=O)c1 ZINC001232969397 1038742267 /nfs/dbraw/zinc/74/22/67/1038742267.db2.gz BMNFFLDGIGUTIG-QFIPXVFZSA-N -1 3 386.442 3.603 20 0 GHADHM [O-]c1cc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc(F)c1F ZINC001232972862 1038744693 /nfs/dbraw/zinc/74/46/93/1038744693.db2.gz ZMEYNAHCJPYDNE-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc([O-])c2F)C[C@H]1C(F)(F)F ZINC001233054116 1038811688 /nfs/dbraw/zinc/81/16/88/1038811688.db2.gz CPSHORFDJIYBAT-CHWSQXEVSA-N -1 3 392.393 3.809 20 0 GHADHM FC1(F)CCN(Cc2ccc([S-])cc2)C[C@]12CCN(c1ncccn1)C2 ZINC001233260392 1039028187 /nfs/dbraw/zinc/02/81/87/1039028187.db2.gz BRIYUDKCLWGCQQ-SFHVURJKSA-N -1 3 376.476 3.503 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)CCCCCc1cccs1 ZINC001252801068 1039177382 /nfs/dbraw/zinc/17/73/82/1039177382.db2.gz IOUGGOXDSFJAGN-UHFFFAOYSA-N -1 3 398.525 3.678 20 0 GHADHM [O-]c1ccc(F)c(CN2CCCn3cnc(COCc4ccco4)c3C2)c1F ZINC001233395386 1039230714 /nfs/dbraw/zinc/23/07/14/1039230714.db2.gz VSDFXLRNTLSVHK-UHFFFAOYSA-N -1 3 389.402 3.583 20 0 GHADHM COC(=O)c1ccc(CC2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC001233396894 1039233372 /nfs/dbraw/zinc/23/33/72/1039233372.db2.gz BGSLDJNJUFOHLS-UHFFFAOYSA-N -1 3 375.415 3.912 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1F ZINC001233397217 1039233947 /nfs/dbraw/zinc/23/39/47/1039233947.db2.gz PTNJBSXKEUBPMP-JTQLQIEISA-N -1 3 389.324 3.523 20 0 GHADHM COc1ccc(CN2CCN(c3nccc4ccccc43)CC2)c(Cl)c1[O-] ZINC001233400457 1039240547 /nfs/dbraw/zinc/24/05/47/1039240547.db2.gz JWAIBWMFORGDCT-UHFFFAOYSA-N -1 3 383.879 3.925 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1)c1cccc2ccccc21 ZINC001253078939 1039406075 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393.233 3.714 20 0 GHADHM CC(C)(C)OC(=O)N1CCC12CC(Oc1nc[n-]c(=O)c1-c1ccccc1)C2 ZINC001234690095 1040222430 /nfs/dbraw/zinc/22/24/30/1040222430.db2.gz WUTGWRSBOQAKEZ-UHFFFAOYSA-N -1 3 383.448 3.770 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCC(Oc2nc[n-]c(=O)c2-c2ccccc2)CC1 ZINC001234692960 1040226161 /nfs/dbraw/zinc/22/61/61/1040226161.db2.gz SCOXCOPQHYOBQL-UHFFFAOYSA-N -1 3 393.418 3.672 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CN3CCC1CC3)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234758748 1040287971 /nfs/dbraw/zinc/28/79/71/1040287971.db2.gz JCOQOPPTDKZPPE-AZUAARDMSA-N -1 3 395.455 3.580 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1C(C)=O ZINC001234791544 1040322223 /nfs/dbraw/zinc/32/22/23/1040322223.db2.gz OGSWPKOYHYZCRF-UWJYYQICSA-N -1 3 399.487 3.580 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1c(Cl)ccc(Br)c1O ZINC001254626293 1040392854 /nfs/dbraw/zinc/39/28/54/1040392854.db2.gz RVKBCUMXNWJTQE-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM C[C@H](Oc1nc(=O)[n-]c2c1SCCC2)c1ncc(C(F)(F)F)cc1F ZINC001234921833 1040431886 /nfs/dbraw/zinc/43/18/86/1040431886.db2.gz MEFWCILLZBZXBU-ZETCQYMHSA-N -1 3 375.347 3.913 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(C(=O)N2CCCC2)cc1 ZINC001255589092 1041149791 /nfs/dbraw/zinc/14/97/91/1041149791.db2.gz YKSHHLVNIXIOSJ-UHFFFAOYSA-N -1 3 385.435 3.833 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001255731630 1041252586 /nfs/dbraw/zinc/25/25/86/1041252586.db2.gz CZZFYDLECZMXDC-UHFFFAOYSA-N -1 3 394.758 3.637 20 0 GHADHM O=S(=O)([N-]c1cccc(Cn2ccnc2)c1)c1ccc(OC(F)(F)F)cc1 ZINC001255795754 1041304360 /nfs/dbraw/zinc/30/43/60/1041304360.db2.gz YZWPTAYAGPTEAD-UHFFFAOYSA-N -1 3 397.378 3.631 20 0 GHADHM CS(=O)(=O)c1ccc(Oc2ccnc(-c3cc([O-])cc(Cl)c3)n2)cc1 ZINC001235898126 1041418325 /nfs/dbraw/zinc/41/83/25/1041418325.db2.gz ASAIYNTYRNUWNQ-UHFFFAOYSA-N -1 3 376.821 3.698 20 0 GHADHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC001256073517 1041508017 /nfs/dbraw/zinc/50/80/17/1041508017.db2.gz VTAIVIOXXCOHQW-UHFFFAOYSA-N 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CCOc1ccc(C[C@@H](CNC(=O)c2ccc(C(C)C)cc2[O-])C(=O)OC)cc1 ZINC001292130433 1043600549 /nfs/dbraw/zinc/60/05/49/1043600549.db2.gz NGPXCVJCNKQNPL-SFHVURJKSA-N -1 3 399.487 3.676 20 0 GHADHM O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1ccc(O)cc1[O-] ZINC001292151087 1043605806 /nfs/dbraw/zinc/60/58/06/1043605806.db2.gz URRULUHCYQMXJK-UHFFFAOYSA-N -1 3 377.375 3.956 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ccc(C)cc2C)c(F)c1 ZINC001462743849 1070515918 /nfs/dbraw/zinc/51/59/18/1070515918.db2.gz DCMIJYZKQVOSNO-UHFFFAOYSA-N -1 3 393.480 3.530 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)cc1OC ZINC001257015726 1043800169 /nfs/dbraw/zinc/80/01/69/1043800169.db2.gz FXIQLRLMOUZEAX-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC001257288395 1043958184 /nfs/dbraw/zinc/95/81/84/1043958184.db2.gz GSXGTFUKSMIEPI-GFCCVEGCSA-N -1 3 380.680 3.659 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2Cl)COC1)c1cccc(Cl)c1Cl ZINC001257300449 1043960512 /nfs/dbraw/zinc/96/05/12/1043960512.db2.gz KDTWMSYGZXZIIZ-UHFFFAOYSA-N -1 3 392.691 3.851 20 0 GHADHM Cc1sccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001293131290 1044031563 /nfs/dbraw/zinc/03/15/63/1044031563.db2.gz WODQCKNPRZPXNN-UHFFFAOYSA-N -1 3 378.397 3.699 20 0 GHADHM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001293162991 1044042644 /nfs/dbraw/zinc/04/26/44/1044042644.db2.gz CVMRBDYBPNXQRB-UHFFFAOYSA-N -1 3 395.440 3.901 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1C(=O)NC(C)C ZINC001293209939 1044065197 /nfs/dbraw/zinc/06/51/97/1044065197.db2.gz GLENNWKVCOQIQG-UHFFFAOYSA-N -1 3 399.397 3.505 20 0 GHADHM CCOC(=O)C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001257779944 1044167619 /nfs/dbraw/zinc/16/76/19/1044167619.db2.gz AJEHFIQSMHTOTA-HAQNSBGRSA-N -1 3 394.320 3.784 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)N1CCc2ccccc2C1 ZINC001462810130 1070560519 /nfs/dbraw/zinc/56/05/19/1070560519.db2.gz NSHYHTPFXPIZRL-INIZCTEOSA-N -1 3 396.915 3.594 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-]C1CCC(c2ccccc2)CC1)C1CCCCC1 ZINC001462814762 1070565274 /nfs/dbraw/zinc/56/52/74/1070565274.db2.gz FYYGKZZWLNLNFM-ZQYQLRQTSA-N -1 3 398.594 3.978 20 0 GHADHM COc1cccc(Oc2ncccc2CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC001293854681 1044348910 /nfs/dbraw/zinc/34/89/10/1044348910.db2.gz HDICSXGXMWTDHS-UHFFFAOYSA-N -1 3 392.411 3.721 20 0 GHADHM Cc1ccccc1Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC001258415835 1044548736 /nfs/dbraw/zinc/54/87/36/1044548736.db2.gz HOLIGAUBYJEBPE-ZDUSSCGKSA-N -1 3 391.880 3.662 20 0 GHADHM Cn1nc(C2CCCCC2)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294550650 1044698578 /nfs/dbraw/zinc/69/85/78/1044698578.db2.gz SOQCTMMZSRTNAB-UHFFFAOYSA-N -1 3 386.402 3.840 20 0 GHADHM CCCCC[C@@H](CCC)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001258673262 1044704726 /nfs/dbraw/zinc/70/47/26/1044704726.db2.gz JZIJPMPGEADBKS-CVEARBPZSA-N -1 3 386.583 3.766 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001258790703 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CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccnc2cc(Cl)ccc21 ZINC001290623457 1049889445 /nfs/dbraw/zinc/88/94/45/1049889445.db2.gz YQIBBMJJYWFSQT-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM CC(=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1[O-] ZINC001290798705 1049926116 /nfs/dbraw/zinc/92/61/16/1049926116.db2.gz KOTBDWMKXYOQGO-UHFFFAOYSA-N -1 3 395.455 3.608 20 0 GHADHM COc1ccc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)o1 ZINC001308326802 1049949285 /nfs/dbraw/zinc/94/92/85/1049949285.db2.gz WUQFLUMBJRGJKC-UHFFFAOYSA-N -1 3 390.436 3.518 20 0 GHADHM CO[N-]C(=O)CNCc1ccccc1Oc1ccc(Cl)cc1Br ZINC001308538755 1050002936 /nfs/dbraw/zinc/00/29/36/1050002936.db2.gz ZNKNAGHXHJGJHV-UHFFFAOYSA-N -1 3 399.672 3.662 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)s1 ZINC001309057959 1050310328 /nfs/dbraw/zinc/31/03/28/1050310328.db2.gz LTOPLVWBAXWKSI-GOSISDBHSA-N -1 3 376.478 3.913 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)COc1ccc(F)cc1 ZINC001309087885 1050338136 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3.584 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001320583142 1055892897 /nfs/dbraw/zinc/89/28/97/1055892897.db2.gz DQDHCHOHQCKBCA-GJZGRUSLSA-N -1 3 399.532 3.601 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001320803451 1055967445 /nfs/dbraw/zinc/96/74/45/1055967445.db2.gz KUQHNYZGHCULET-UHFFFAOYSA-N -1 3 380.897 3.745 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(I)cc2F)c1[O-] ZINC001300491998 1056275717 /nfs/dbraw/zinc/27/57/17/1056275717.db2.gz KEPPHIWAVIXHQV-UHFFFAOYSA-N -1 3 385.176 3.951 20 0 GHADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001354153983 1056375776 /nfs/dbraw/zinc/37/57/76/1056375776.db2.gz BXZZPWNHOXEEDH-UHFFFAOYSA-N -1 3 396.398 3.900 20 0 GHADHM O=C(CCOc1cc(Cl)ccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC001321830371 1056411474 /nfs/dbraw/zinc/41/14/74/1056411474.db2.gz VKGNVBJHZDQHPH-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1cc(Cl)ccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC001321830371 1056411494 /nfs/dbraw/zinc/41/14/94/1056411494.db2.gz VKGNVBJHZDQHPH-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM COc1ccc(CN(C(=O)c2nnc3ccccc3c2[O-])[C@H](C)C2CC2)cc1 ZINC000848101875 1056624440 /nfs/dbraw/zinc/62/44/40/1056624440.db2.gz RBXRHHVLWORILA-CQSZACIVSA-N -1 3 377.444 3.785 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001322450855 1056711086 /nfs/dbraw/zinc/71/10/86/1056711086.db2.gz ZTZIQRWNGSMIHQ-SNVBAGLBSA-N -1 3 395.349 3.729 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)C[C@H](C)O4)c2)n1 ZINC001354534257 1056753067 /nfs/dbraw/zinc/75/30/67/1056753067.db2.gz YVIHICFXUOUXHT-ZDUSSCGKSA-N -1 3 375.428 3.987 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001322655283 1056787190 /nfs/dbraw/zinc/78/71/90/1056787190.db2.gz KUWZSFXMGHQIAJ-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Nc2ccccc2Cl)CC1 ZINC001322732819 1056824915 /nfs/dbraw/zinc/82/49/15/1056824915.db2.gz QSWVCWDGKVRSAT-UHFFFAOYSA-N -1 3 382.851 3.706 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC001323083519 1056920077 /nfs/dbraw/zinc/92/00/77/1056920077.db2.gz JULRCSQFGJXWIL-LJQANCHMSA-N -1 3 391.475 3.567 20 0 GHADHM CCOC(=O)C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)c2ccccc21 ZINC001355121451 1057055884 /nfs/dbraw/zinc/05/58/84/1057055884.db2.gz OMUHIPFKBPIKTJ-OAHLLOKOSA-N -1 3 390.439 3.615 20 0 GHADHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)o1 ZINC001355883087 1057304511 /nfs/dbraw/zinc/30/45/11/1057304511.db2.gz ZETYUUYOCXKURM-RMKNXTFCSA-N -1 3 383.429 3.853 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C2CCCC2)ccc1F ZINC001356448697 1057515954 /nfs/dbraw/zinc/51/59/54/1057515954.db2.gz YDGBUUIQYAMJJF-UHFFFAOYSA-N -1 3 398.544 3.849 20 0 GHADHM O=C([N-]c1cc(N2CCOC2=O)ccc1F)c1scnc1C(F)(F)F ZINC001356615853 1057573336 /nfs/dbraw/zinc/57/33/36/1057573336.db2.gz IBQVTZFXHNMMAZ-UHFFFAOYSA-N -1 3 375.303 3.510 20 0 GHADHM CCCc1nnc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)s1 ZINC001337743149 1058244542 /nfs/dbraw/zinc/24/45/42/1058244542.db2.gz JIZFPXIBUBILOW-UHFFFAOYSA-N -1 3 378.408 3.601 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnn(CC(C)C)c3C3CC3)nc21 ZINC001439994804 1058379939 /nfs/dbraw/zinc/37/99/39/1058379939.db2.gz ARBAAPUMEUZQDC-UHFFFAOYSA-N -1 3 395.463 3.722 20 0 GHADHM CC(C)Oc1ccc(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001440645367 1058556718 /nfs/dbraw/zinc/55/67/18/1058556718.db2.gz LGLCZQACODVFQU-UHFFFAOYSA-N -1 3 386.398 3.566 20 0 GHADHM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc([O-])cc(Br)c1 ZINC001441155610 1058715568 /nfs/dbraw/zinc/71/55/68/1058715568.db2.gz SCXVQAVKUSWGDI-NSHDSACASA-N -1 3 392.249 3.635 20 0 GHADHM CCOC(=O)CCCCCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001445083252 1059456680 /nfs/dbraw/zinc/45/66/80/1059456680.db2.gz ROBNTMYYGWAFQS-UHFFFAOYSA-N -1 3 392.883 3.815 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001340009849 1059615154 /nfs/dbraw/zinc/61/51/54/1059615154.db2.gz AUFCFTLZIYJYOC-SJORKVTESA-N -1 3 390.915 3.590 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001340009848 1059615776 /nfs/dbraw/zinc/61/57/76/1059615776.db2.gz AUFCFTLZIYJYOC-IRXDYDNUSA-N -1 3 390.915 3.590 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)[C@H](O)c1ccccc1F ZINC001445791543 1059619065 /nfs/dbraw/zinc/61/90/65/1059619065.db2.gz AZNNSHPLODVKET-HUUCEWRRSA-N -1 3 386.801 3.903 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](O)Cc1ccccc1 ZINC001446499388 1059784131 /nfs/dbraw/zinc/78/41/31/1059784131.db2.gz RZOOHJURMAOFBF-GAJHUEQPSA-N -1 3 375.468 3.705 20 0 GHADHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(SC)ccc1[O-])CC3 ZINC001447953372 1060070264 /nfs/dbraw/zinc/07/02/64/1060070264.db2.gz BLPXGIRIMUKGOV-UHFFFAOYSA-N -1 3 396.468 3.581 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC001448185650 1060128736 /nfs/dbraw/zinc/12/87/36/1060128736.db2.gz DSPKCSWXYBCRRQ-UHFFFAOYSA-N -1 3 384.436 3.974 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC001448403998 1060178846 /nfs/dbraw/zinc/17/88/46/1060178846.db2.gz MARDPEDNFLWMCU-KRWDZBQOSA-N -1 3 376.497 3.720 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC001449100383 1060329255 /nfs/dbraw/zinc/32/92/55/1060329255.db2.gz GSCJKWADZZFZMK-IIYDPXPESA-N -1 3 394.537 3.878 20 0 GHADHM CCCc1c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cnn1-c1ccc(F)cc1 ZINC001450049600 1060512474 /nfs/dbraw/zinc/51/24/74/1060512474.db2.gz HBGJSEMKFWICSY-UHFFFAOYSA-N -1 3 379.395 3.798 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)c2ncc3ccccc3c2[O-])N(C)C)cc1 ZINC001450125876 1060538389 /nfs/dbraw/zinc/53/83/89/1060538389.db2.gz IIFAOMZXWHDPHJ-GOSISDBHSA-N -1 3 381.501 3.695 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450914153 1060716174 /nfs/dbraw/zinc/71/61/74/1060716174.db2.gz ADVMFXCKTOCYDV-QXMHVHEDSA-N -1 3 389.459 3.764 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450914153 1060716189 /nfs/dbraw/zinc/71/61/89/1060716189.db2.gz ADVMFXCKTOCYDV-QXMHVHEDSA-N -1 3 389.459 3.764 20 0 GHADHM CCc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c2c(n1)onc2C(C)C ZINC001452106052 1060901818 /nfs/dbraw/zinc/90/18/18/1060901818.db2.gz XMLBCZVSYYVSRG-UHFFFAOYSA-N -1 3 399.451 3.839 20 0 GHADHM CCc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c2c(n1)onc2C(C)C ZINC001452106052 1060901820 /nfs/dbraw/zinc/90/18/20/1060901820.db2.gz XMLBCZVSYYVSRG-UHFFFAOYSA-N -1 3 399.451 3.839 20 0 GHADHM O=C(NCc1ccc(COc2ccc(F)cc2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001452270333 1060920457 /nfs/dbraw/zinc/92/04/57/1060920457.db2.gz QKLBDTSHVUIDTH-UHFFFAOYSA-N -1 3 395.386 3.769 20 0 GHADHM O=C(N[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001452452092 1060940818 /nfs/dbraw/zinc/94/08/18/1060940818.db2.gz XSBQTYUIZIRTMT-NHCUHLMSSA-N -1 3 397.471 3.625 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC001452614443 1060973503 /nfs/dbraw/zinc/97/35/03/1060973503.db2.gz PHSFTUOCIUERGO-ROUUACIJSA-N -1 3 390.277 3.883 20 0 GHADHM COc1cc(C)c(C)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001453304071 1061106389 /nfs/dbraw/zinc/10/63/89/1061106389.db2.gz NVPPDTCKSJGBQZ-UHFFFAOYSA-N -1 3 382.869 3.589 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001454410484 1061768539 /nfs/dbraw/zinc/76/85/39/1061768539.db2.gz HWMJAYHFEZAOGK-CYBMUJFWSA-N -1 3 386.253 3.762 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001454410484 1061768559 /nfs/dbraw/zinc/76/85/59/1061768559.db2.gz HWMJAYHFEZAOGK-CYBMUJFWSA-N -1 3 386.253 3.762 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccccc1-c1nnn[n-]1 ZINC001454418323 1061773009 /nfs/dbraw/zinc/77/30/09/1061773009.db2.gz SLRJYWMXWVVFQM-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccccc1-c1nn[n-]n1 ZINC001454418323 1061773026 /nfs/dbraw/zinc/77/30/26/1061773026.db2.gz SLRJYWMXWVVFQM-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1cc([O-])cc(Br)c1 ZINC001454630270 1061889255 /nfs/dbraw/zinc/88/92/55/1061889255.db2.gz WMZHDXBJVGYILH-NUEKZKHPSA-N -1 3 378.653 3.876 20 0 GHADHM O=C(NC[C@H]1CC2(CO1)CCOCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001454865316 1061947109 /nfs/dbraw/zinc/94/71/09/1061947109.db2.gz FCJRJOCUPOMVCS-GOSISDBHSA-N -1 3 383.444 3.500 20 0 GHADHM CCOc1nnc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)[n-]1 ZINC001454981196 1061967310 /nfs/dbraw/zinc/96/73/10/1061967310.db2.gz GSIVAIWIVXZOCO-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM CCOc1nnc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[n-]1 ZINC001454986610 1061968366 /nfs/dbraw/zinc/96/83/66/1061968366.db2.gz JRYRNTJHHSBLQL-UHFFFAOYSA-N -1 3 384.248 3.886 20 0 GHADHM CCOc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n[n-]1 ZINC001454986610 1061968372 /nfs/dbraw/zinc/96/83/72/1061968372.db2.gz JRYRNTJHHSBLQL-UHFFFAOYSA-N -1 3 384.248 3.886 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1 ZINC001454986610 1061968375 /nfs/dbraw/zinc/96/83/75/1061968375.db2.gz JRYRNTJHHSBLQL-UHFFFAOYSA-N -1 3 384.248 3.886 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1[O-] ZINC001545822869 1062026293 /nfs/dbraw/zinc/02/62/93/1062026293.db2.gz RJMKJDFUECUEJS-UHFFFAOYSA-N -1 3 388.423 3.777 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001545850714 1062041395 /nfs/dbraw/zinc/04/13/95/1062041395.db2.gz PAHXVFUFHJDHHA-LBPRGKRZSA-N -1 3 391.497 3.807 20 0 GHADHM CC(C)(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCC1 ZINC001545871693 1062054194 /nfs/dbraw/zinc/05/41/94/1062054194.db2.gz VZHKXRSVHFWLFG-UHFFFAOYSA-N -1 3 396.528 3.603 20 0 GHADHM CC(C)(C)OCCCN1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001455227460 1062062192 /nfs/dbraw/zinc/06/21/92/1062062192.db2.gz LUWICAQFOCHCSQ-UHFFFAOYSA-N -1 3 376.522 3.570 20 0 GHADHM CC(C)c1oncc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001455737513 1062279748 /nfs/dbraw/zinc/27/97/48/1062279748.db2.gz NIGBJUZAGJAIQO-UHFFFAOYSA-N -1 3 381.310 3.790 20 0 GHADHM O=C([N-][C@H](Cn1cccn1)c1ccccc1)C(F)(F)c1cc(F)cc(F)c1 ZINC001435242971 1062415499 /nfs/dbraw/zinc/41/54/99/1062415499.db2.gz MRHJRZHRFFHHMK-QGZVFWFLSA-N -1 3 377.341 3.811 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC001456218849 1062560555 /nfs/dbraw/zinc/56/05/55/1062560555.db2.gz KISIHLHODACLQP-UHFFFAOYSA-N -1 3 387.436 3.846 20 0 GHADHM CCc1cnc([N-]C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)o1 ZINC001456487311 1062712108 /nfs/dbraw/zinc/71/21/08/1062712108.db2.gz KJPCGYMPXJUUIR-UHFFFAOYSA-N -1 3 397.522 3.552 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(O)cc1[O-])C2 ZINC001456709032 1062821449 /nfs/dbraw/zinc/82/14/49/1062821449.db2.gz BTMBEYQCXMOGAO-UHFFFAOYSA-N -1 3 384.432 3.643 20 0 GHADHM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(C(=O)OCc3ccccc3)n[n-]1)C2 ZINC001456799986 1062866555 /nfs/dbraw/zinc/86/65/55/1062866555.db2.gz LQZSPIMESYITAJ-SFHVURJKSA-N -1 3 393.468 3.731 20 0 GHADHM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(C(=O)OCc3ccccc3)[n-]n1)C2 ZINC001456799986 1062866573 /nfs/dbraw/zinc/86/65/73/1062866573.db2.gz LQZSPIMESYITAJ-SFHVURJKSA-N -1 3 393.468 3.731 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cc(Cl)cc(Br)c1 ZINC001348038646 1062873351 /nfs/dbraw/zinc/87/33/51/1062873351.db2.gz PZSGKTSFEIRUAA-UHFFFAOYSA-N -1 3 385.645 3.583 20 0 GHADHM O=C(Nc1ccnn1[C@H]1CCCOC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001456850244 1062895364 /nfs/dbraw/zinc/89/53/64/1062895364.db2.gz FXOFOBBILOAHSK-SFHVURJKSA-N -1 3 377.444 3.783 20 0 GHADHM CCCCc1nc(NC(=O)C(F)(F)c2ccccc2C)c(C(=O)OCC)[n-]1 ZINC001435888196 1062983060 /nfs/dbraw/zinc/98/30/60/1062983060.db2.gz XQXWRSACHCSGNM-UHFFFAOYSA-N -1 3 379.407 3.968 20 0 GHADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C(F)(F)c2ccccc2C)[n-]1 ZINC001435888196 1062983062 /nfs/dbraw/zinc/98/30/62/1062983062.db2.gz XQXWRSACHCSGNM-UHFFFAOYSA-N -1 3 379.407 3.968 20 0 GHADHM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001457360623 1063108658 /nfs/dbraw/zinc/10/86/58/1063108658.db2.gz CRCYHKURZVNJLI-JTQLQIEISA-N -1 3 399.299 3.956 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457695586 1063315972 /nfs/dbraw/zinc/31/59/72/1063315972.db2.gz NYAKSPTUQUYWSQ-SFHVURJKSA-N -1 3 390.336 3.966 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457695576 1063316170 /nfs/dbraw/zinc/31/61/70/1063316170.db2.gz NYAKSPTUQUYWSQ-GOSISDBHSA-N -1 3 390.336 3.966 20 0 GHADHM O=C(NCCc1ccc(C2CCCCC2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001457935851 1063452272 /nfs/dbraw/zinc/45/22/72/1063452272.db2.gz LCNIMYYSIXYXCE-UHFFFAOYSA-N -1 3 376.456 3.590 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001436554073 1063526471 /nfs/dbraw/zinc/52/64/71/1063526471.db2.gz OFGHCTSSNDZAST-UHFFFAOYSA-N -1 3 384.173 3.559 20 0 GHADHM c1[n-][nH]c2ncnc(=NCCCCOc3ccc(OCc4ccccc4)cc3)c1-2 ZINC001458089145 1063557731 /nfs/dbraw/zinc/55/77/31/1063557731.db2.gz OPCIYGRKUWJTLX-UHFFFAOYSA-N -1 3 389.459 3.577 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(Cl)c(Cl)c3)nc21 ZINC001458168377 1063625320 /nfs/dbraw/zinc/62/53/20/1063625320.db2.gz HNSUKIDZLJXJPC-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM Cc1nnc(SCc2nnc(-c3ccccc3[O-])o2)n1Cc1ccccc1 ZINC001458782464 1063937192 /nfs/dbraw/zinc/93/71/92/1063937192.db2.gz VUHGREIYFKFOGT-UHFFFAOYSA-N -1 3 379.445 3.683 20 0 GHADHM Cc1nnc(-c2cccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)c2)n1C ZINC001545917402 1064085896 /nfs/dbraw/zinc/08/58/96/1064085896.db2.gz HBWADYIPESASBL-UHFFFAOYSA-N -1 3 393.834 3.538 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]C(=O)C(F)(F)c1ccccc1 ZINC001459633881 1064150933 /nfs/dbraw/zinc/15/09/33/1064150933.db2.gz SHRXQYHSCHCACH-INIZCTEOSA-N -1 3 381.806 3.722 20 0 GHADHM COc1cc([N-]C(=O)c2scnc2Br)c2nccc(OC)c2c1 ZINC001439014867 1064159377 /nfs/dbraw/zinc/15/93/77/1064159377.db2.gz HZEHYYNUDFVSSR-UHFFFAOYSA-N -1 3 394.250 3.723 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC001459693439 1064172903 /nfs/dbraw/zinc/17/29/03/1064172903.db2.gz ZWSZZEDHGQGXNV-UHFFFAOYSA-N -1 3 379.287 3.700 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](CCc4ccccc4)C3)cc(=O)oc2cc1[O-] ZINC001459917366 1064271430 /nfs/dbraw/zinc/27/14/30/1064271430.db2.gz DDGRWVIXTINRJH-HXUWFJFHSA-N -1 3 393.483 3.895 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)s1 ZINC001463355619 1064278180 /nfs/dbraw/zinc/27/81/80/1064278180.db2.gz GHSMCOBURPXXSO-UWVGGRQHSA-N -1 3 378.441 3.941 20 0 GHADHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001463378774 1064298966 /nfs/dbraw/zinc/29/89/66/1064298966.db2.gz XAEUNFBLBXCSAI-MRXNPFEDSA-N -1 3 390.839 3.539 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@H](C)C2)c(F)cc1Br ZINC001463493159 1064403008 /nfs/dbraw/zinc/40/30/08/1064403008.db2.gz SRRBSNISYJOWLO-HOSYDEDBSA-N -1 3 378.307 4.000 20 0 GHADHM C[C@@]1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO[C@H]1C1CC1 ZINC001463505951 1064415549 /nfs/dbraw/zinc/41/55/49/1064415549.db2.gz OYVCFKZGSONXFU-DOTOQJQBSA-N -1 3 398.937 3.699 20 0 GHADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1I ZINC001463696086 1064556122 /nfs/dbraw/zinc/55/61/22/1064556122.db2.gz NCOTUUNFLOBOLF-UHFFFAOYSA-N -1 3 385.176 3.626 20 0 GHADHM Cc1cccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1C ZINC001351719035 1064575970 /nfs/dbraw/zinc/57/59/70/1064575970.db2.gz LGQAWVDMLPUOBK-UHFFFAOYSA-N -1 3 379.453 3.739 20 0 GHADHM CO[C@@](C)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001463740464 1064581577 /nfs/dbraw/zinc/58/15/77/1064581577.db2.gz WOZKCFZNDAXUBA-IBGZPJMESA-N -1 3 388.514 3.650 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2c(F)cc(F)cc21)c1cccnc1C(F)(F)F ZINC001463793095 1064622638 /nfs/dbraw/zinc/62/26/38/1064622638.db2.gz QKOYPMYOCJEESP-CYBMUJFWSA-N -1 3 392.349 3.735 20 0 GHADHM C[C@@H](F)CC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463794124 1064624270 /nfs/dbraw/zinc/62/42/70/1064624270.db2.gz PBSLNEIXJJDUBT-SECBINFHSA-N -1 3 382.404 3.855 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC(C)(C)C1CC1 ZINC001463800132 1064628099 /nfs/dbraw/zinc/62/80/99/1064628099.db2.gz VLBSLLVLDYTCNT-UHFFFAOYSA-N -1 3 394.306 3.701 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1C1CC1)c1cnc(Cl)c(Br)c1 ZINC001463875605 1064687731 /nfs/dbraw/zinc/68/77/31/1064687731.db2.gz HSWRJPOTFUTBGG-CMPLNLGQSA-N -1 3 393.734 3.602 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC001463904851 1064708168 /nfs/dbraw/zinc/70/81/68/1064708168.db2.gz YYMXLYHSWFKDQL-TZMCWYRMSA-N -1 3 399.921 3.803 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3-n3ccnc32)sc1Cl ZINC001464127198 1064841740 /nfs/dbraw/zinc/84/17/40/1064841740.db2.gz WMOLANFNIDPFGT-CYBMUJFWSA-N -1 3 393.921 3.861 20 0 GHADHM O=C(Nc1ccc(Br)cc1O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464133567 1064847060 /nfs/dbraw/zinc/84/70/60/1064847060.db2.gz BTKXLCJRBMGOQL-UHFFFAOYSA-N -1 3 395.159 3.527 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCCS1)c1cc(Br)ccc1Cl ZINC001464180508 1064891138 /nfs/dbraw/zinc/89/11/38/1064891138.db2.gz UVMQZRCJWRIQIS-SNVBAGLBSA-N -1 3 384.748 3.667 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(-n3ccnc3)c2)s1 ZINC001464236951 1064921784 /nfs/dbraw/zinc/92/17/84/1064921784.db2.gz FFLHMDKZCOMDDU-UHFFFAOYSA-N -1 3 385.449 3.928 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001464278877 1064939708 /nfs/dbraw/zinc/93/97/08/1064939708.db2.gz YNFCATNEBQOLJB-RDTXWAMCSA-N -1 3 396.915 3.668 20 0 GHADHM CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001464298422 1064946628 /nfs/dbraw/zinc/94/66/28/1064946628.db2.gz WOVZTPBQDLPLNP-ZDUSSCGKSA-N -1 3 380.293 3.560 20 0 GHADHM COCCOc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1F ZINC001464450346 1065016111 /nfs/dbraw/zinc/01/61/11/1065016111.db2.gz BIQJCZHELCKCRA-UHFFFAOYSA-N -1 3 384.201 3.571 20 0 GHADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001464527190 1065064511 /nfs/dbraw/zinc/06/45/11/1065064511.db2.gz CBRPCINJNNLEJK-WPRPVWTQSA-N -1 3 386.233 3.935 20 0 GHADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ncc(Br)s1 ZINC001300031332 1065066753 /nfs/dbraw/zinc/06/67/53/1065066753.db2.gz PTUJYZQUFQZTRF-UHFFFAOYSA-N -1 3 375.269 3.623 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCSC3(CCC3)C2)s1 ZINC001464716195 1065161645 /nfs/dbraw/zinc/16/16/45/1065161645.db2.gz DYUAQDKXEKPYGH-SNVBAGLBSA-N -1 3 396.397 3.916 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)(F)F)c1 ZINC001464747383 1065188707 /nfs/dbraw/zinc/18/87/07/1065188707.db2.gz SIOBHNUIBQKPGJ-UHFFFAOYSA-N -1 3 397.349 3.935 20 0 GHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001353106329 1065644629 /nfs/dbraw/zinc/64/46/29/1065644629.db2.gz QZTQAOOMBGFYTA-UHFFFAOYSA-N -1 3 396.900 3.638 20 0 GHADHM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001465579486 1065726493 /nfs/dbraw/zinc/72/64/93/1065726493.db2.gz LCTJXJOUBSBRFM-UHFFFAOYSA-N -1 3 392.883 3.812 20 0 GHADHM Cc1ccc(NCCCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])nc1 ZINC001465586147 1065730670 /nfs/dbraw/zinc/73/06/70/1065730670.db2.gz PCGTYWBQGLDXQW-UHFFFAOYSA-N -1 3 375.472 3.918 20 0 GHADHM COc1nnc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)[n-]1 ZINC001466101957 1065983121 /nfs/dbraw/zinc/98/31/21/1065983121.db2.gz WKXIOTNXBVDCMG-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM COc1nc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)n[n-]1 ZINC001466101957 1065983127 /nfs/dbraw/zinc/98/31/27/1065983127.db2.gz WKXIOTNXBVDCMG-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM COc1n[n-]c(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)n1 ZINC001466101957 1065983128 /nfs/dbraw/zinc/98/31/28/1065983128.db2.gz WKXIOTNXBVDCMG-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM O=C(NCC1(c2ccc(F)cc2F)CC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001466167040 1066009052 /nfs/dbraw/zinc/00/90/52/1066009052.db2.gz UMTWOIKXYNWQSR-UHFFFAOYSA-N -1 3 390.336 3.546 20 0 GHADHM Cn1c(C(=O)Nc2cc(Cl)ccc2[O-])cc2cc(Br)cnc21 ZINC001466261146 1066060067 /nfs/dbraw/zinc/06/00/67/1066060067.db2.gz GFTIFKJFIZSXDD-UHFFFAOYSA-N -1 3 380.629 3.947 20 0 GHADHM Cc1nc(NC([O-])=NO[C@@H](CO)C2CCCC2)sc1Cc1ccc(C)cc1 ZINC001466328466 1066093888 /nfs/dbraw/zinc/09/38/88/1066093888.db2.gz KCDQMABBFVSUDD-KRWDZBQOSA-N -1 3 389.521 3.955 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C2CCCC2)sc1Cc1ccc(C)cc1 ZINC001466328466 1066093904 /nfs/dbraw/zinc/09/39/04/1066093904.db2.gz KCDQMABBFVSUDD-KRWDZBQOSA-N -1 3 389.521 3.955 20 0 GHADHM Cc1nc(NC([O-])=NO[C@H](CO)C2CCCC2)sc1Cc1ccc(C)cc1 ZINC001466328467 1066094444 /nfs/dbraw/zinc/09/44/44/1066094444.db2.gz KCDQMABBFVSUDD-QGZVFWFLSA-N -1 3 389.521 3.955 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C2CCCC2)sc1Cc1ccc(C)cc1 ZINC001466328467 1066094459 /nfs/dbraw/zinc/09/44/59/1066094459.db2.gz KCDQMABBFVSUDD-QGZVFWFLSA-N -1 3 389.521 3.955 20 0 GHADHM C[C@](O)(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccc(F)cc1 ZINC001466596940 1066204843 /nfs/dbraw/zinc/20/48/43/1066204843.db2.gz HICZBKRVNULJHI-DEOSSOPVSA-N -1 3 393.458 3.954 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(I)c2C)cc1[O-] ZINC001466774849 1066307460 /nfs/dbraw/zinc/30/74/60/1066307460.db2.gz NOEYQIDJKRUYBG-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM CCCCCCOCC(=O)Nc1ccc(I)cc1[O-] ZINC001466817640 1066322622 /nfs/dbraw/zinc/32/26/22/1066322622.db2.gz LSUAJJIGZXUUEJ-UHFFFAOYSA-N -1 3 377.222 3.532 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)Nc1ncccc1[O-] ZINC001466805693 1066326670 /nfs/dbraw/zinc/32/66/70/1066326670.db2.gz RKZKUNWVYOSXMO-OAHLLOKOSA-N -1 3 397.431 3.608 20 0 GHADHM CCc1noc(-c2ccc(NC(=O)c3cnc(C4CC4)[n-]c3=O)c(Cl)c2)n1 ZINC001466814637 1066332078 /nfs/dbraw/zinc/33/20/78/1066332078.db2.gz HMGFANDTEXTLFK-UHFFFAOYSA-N -1 3 385.811 3.578 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(F)cc1 ZINC001357423867 1067094136 /nfs/dbraw/zinc/09/41/36/1067094136.db2.gz VXTRPWFMOLNWDE-QGZVFWFLSA-N -1 3 396.459 3.533 20 0 GHADHM Cc1cc(C)nc(Nc2ccc([O-])c(C(=O)Nc3cc(=O)c(Cl)c[nH]3)c2)n1 ZINC001467434350 1067296626 /nfs/dbraw/zinc/29/66/26/1067296626.db2.gz YAGQGHDIFJBPHA-UHFFFAOYSA-N -1 3 385.811 3.549 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001358188108 1067433156 /nfs/dbraw/zinc/43/31/56/1067433156.db2.gz OSAZHUIXQFBKCZ-MAUKXSAKSA-N -1 3 398.544 3.847 20 0 GHADHM O=C(Nc1cc(O)cc(Br)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001468024777 1067570125 /nfs/dbraw/zinc/57/01/25/1067570125.db2.gz JCEUNQPKWHJZKC-UHFFFAOYSA-N -1 3 393.624 3.902 20 0 GHADHM CN(C)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ncc1Br ZINC001468104593 1067597122 /nfs/dbraw/zinc/59/71/22/1067597122.db2.gz QAALEZAJYBPQEO-UHFFFAOYSA-N -1 3 396.260 3.716 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 ZINC001469726144 1068341504 /nfs/dbraw/zinc/34/15/04/1068341504.db2.gz VSYFWVWTBADGGC-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM Cc1cc(=O)[nH]c2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc12 ZINC001470297721 1068671386 /nfs/dbraw/zinc/67/13/86/1068671386.db2.gz BPZGUWIZYHQMHO-UHFFFAOYSA-N -1 3 381.338 3.621 20 0 GHADHM CC1(C)C[C@H](CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)C(C)(C)O1 ZINC001460266059 1068895615 /nfs/dbraw/zinc/89/56/15/1068895615.db2.gz PTJQMRJKILXGKT-CABCVRRESA-N -1 3 384.442 3.690 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4C(C)(C)[C@@H]3C)nc(=O)c2c1C ZINC001460415335 1068957290 /nfs/dbraw/zinc/95/72/90/1068957290.db2.gz KNQIZZRRSCYART-LBPRGKRZSA-N -1 3 397.500 3.766 20 0 GHADHM FC(F)(F)c1cc(CN2CCC(Cc3nnn[n-]3)CC2)cc(C(F)(F)F)c1 ZINC001460718763 1069118239 /nfs/dbraw/zinc/11/82/39/1069118239.db2.gz UNWYFXOMCDBAOZ-UHFFFAOYSA-N -1 3 393.335 3.692 20 0 GHADHM FC(F)(F)c1cc(CN2CCC(Cc3nn[n-]n3)CC2)cc(C(F)(F)F)c1 ZINC001460718763 1069118250 /nfs/dbraw/zinc/11/82/50/1069118250.db2.gz UNWYFXOMCDBAOZ-UHFFFAOYSA-N -1 3 393.335 3.692 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1-c1nnn[n-]1 ZINC001470787888 1072740042 /nfs/dbraw/zinc/74/00/42/1072740042.db2.gz QJYVRLGQVACNOE-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1-c1nn[n-]n1 ZINC001470787888 1072740053 /nfs/dbraw/zinc/74/00/53/1072740053.db2.gz QJYVRLGQVACNOE-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cn1)c1ccccc1 ZINC001470786737 1072740311 /nfs/dbraw/zinc/74/03/11/1072740311.db2.gz GKAZBYPZJXQSOW-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cn1)c1ccccc1 ZINC001470786737 1072740319 /nfs/dbraw/zinc/74/03/19/1072740319.db2.gz GKAZBYPZJXQSOW-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccsc1Cl ZINC001470796802 1072744633 /nfs/dbraw/zinc/74/46/33/1072744633.db2.gz FGUBZOUUTRXMMX-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccsc1Cl ZINC001470796802 1072744638 /nfs/dbraw/zinc/74/46/38/1072744638.db2.gz FGUBZOUUTRXMMX-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCCCCNC(=O)CC1 ZINC001471007654 1072879759 /nfs/dbraw/zinc/87/97/59/1072879759.db2.gz CBIJLLKRBVYIPA-UHFFFAOYSA-N -1 3 394.515 3.700 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccc(F)c(C)c1 ZINC001471033335 1072893013 /nfs/dbraw/zinc/89/30/13/1072893013.db2.gz CBGHGHPSEBXDLH-UHFFFAOYSA-N -1 3 382.395 3.679 20 0 GHADHM COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001471781133 1073217312 /nfs/dbraw/zinc/21/73/12/1073217312.db2.gz SMCWGYSRGDVPDA-SFHVURJKSA-N -1 3 381.428 3.776 20 0 GHADHM C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001472109710 1073337214 /nfs/dbraw/zinc/33/72/14/1073337214.db2.gz UZPUQFFMOVHLPP-RXMQYKEDSA-N -1 3 375.713 3.588 20 0 GHADHM C[C@]1(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCc2ccccc21 ZINC001472242198 1073381430 /nfs/dbraw/zinc/38/14/30/1073381430.db2.gz FANRIPFHJIKOAT-QFIPXVFZSA-N -1 3 375.428 3.609 20 0 GHADHM C[C@]1(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCc2ccccc21 ZINC001472242198 1073381432 /nfs/dbraw/zinc/38/14/32/1073381432.db2.gz FANRIPFHJIKOAT-QFIPXVFZSA-N -1 3 375.428 3.609 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001472395645 1073465146 /nfs/dbraw/zinc/46/51/46/1073465146.db2.gz VKRLKIYWKZVGIV-UHFFFAOYSA-N -1 3 376.497 3.674 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)n[n-]2)o1 ZINC001472525748 1073531146 /nfs/dbraw/zinc/53/11/46/1073531146.db2.gz DMJHEWSNISZJIC-SFHVURJKSA-N -1 3 385.811 3.548 20 0 GHADHM Cn1ncc2c1nc(SCc1cccc(C(=O)Nc3ccccc3)c1)[n-]c2=O ZINC001473059922 1073766316 /nfs/dbraw/zinc/76/63/16/1073766316.db2.gz XEMHZASUFXWDLI-UHFFFAOYSA-N -1 3 391.456 3.614 20 0 GHADHM COc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1C(C)(C)C ZINC001474382563 1074377001 /nfs/dbraw/zinc/37/70/01/1074377001.db2.gz DOQXWVICQWDFOQ-UHFFFAOYSA-N -1 3 382.504 3.656 20 0 GHADHM Cc1nc2ccccc2nc1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001474673813 1074509151 /nfs/dbraw/zinc/50/91/51/1074509151.db2.gz PMGFECNGQOXDHG-UHFFFAOYSA-N -1 3 382.895 3.615 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)c(F)c1 ZINC001474823523 1074579225 /nfs/dbraw/zinc/57/92/25/1074579225.db2.gz YNNZUQNFCRHGCB-KRWDZBQOSA-N -1 3 393.480 3.721 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)c2ccccc2)s1 ZINC001474836461 1074586098 /nfs/dbraw/zinc/58/60/98/1074586098.db2.gz XDRQRIHWSLHLHU-AWEZNQCLSA-N -1 3 381.519 3.991 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC001474876438 1074606612 /nfs/dbraw/zinc/60/66/12/1074606612.db2.gz XZHLOXIDZRNHKH-UHFFFAOYSA-N -1 3 394.306 3.701 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2CCSCC2)c(Br)c1 ZINC001474917588 1074631729 /nfs/dbraw/zinc/63/17/29/1074631729.db2.gz NUXZPCQPLYUKGW-UHFFFAOYSA-N -1 3 384.748 3.585 20 0 GHADHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001474968805 1074658576 /nfs/dbraw/zinc/65/85/76/1074658576.db2.gz GJWWRZVXWGGATI-LLVKDONJSA-N -1 3 383.926 3.588 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)sc1Br ZINC001475089394 1074732703 /nfs/dbraw/zinc/73/27/03/1074732703.db2.gz PZGAJVHBZGVRAP-UMVBOHGHSA-N -1 3 398.347 3.683 20 0 GHADHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)sc2c1)C(F)(F)F ZINC001475147585 1074757717 /nfs/dbraw/zinc/75/77/17/1074757717.db2.gz GXDYNNHUOLYQEJ-LLVKDONJSA-N -1 3 382.429 3.647 20 0 GHADHM CC[C@]([N-]S(=O)(=O)c1ccc(CC(C)C)cc1)(C(=O)OC)c1ccccc1 ZINC001475287206 1074822938 /nfs/dbraw/zinc/82/29/38/1074822938.db2.gz QHWVZTAWZMPRKT-OAQYLSRUSA-N -1 3 389.517 3.642 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)c2ccco2)cc1 ZINC001475397794 1074860485 /nfs/dbraw/zinc/86/04/85/1074860485.db2.gz BFNPRYNVQDETPP-GOSISDBHSA-N -1 3 379.384 3.634 20 0 GHADHM O=S(=O)([N-]CCCSc1ccccn1)c1ccc(F)cc1C(F)(F)F ZINC001475450350 1074878857 /nfs/dbraw/zinc/87/88/57/1074878857.db2.gz NVMAASAFQLVNGW-UHFFFAOYSA-N -1 3 394.415 3.700 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1Cl)c1cccc(Cl)c1F ZINC001475514802 1074902027 /nfs/dbraw/zinc/90/20/27/1074902027.db2.gz ZQFHLRXEXVJBKV-NSHDSACASA-N -1 3 398.670 3.798 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C1CCCCC1 ZINC001475533244 1074906987 /nfs/dbraw/zinc/90/69/87/1074906987.db2.gz SDLVQBIFWIEQDV-CYBMUJFWSA-N -1 3 396.372 3.693 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(c3ccccc3)CC2(C)C)c1 ZINC001475533362 1074906996 /nfs/dbraw/zinc/90/69/96/1074906996.db2.gz WULZRHUCAYAHCO-HXUWFJFHSA-N -1 3 391.464 3.606 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)c1ccc2ccccc2c1 ZINC001475546637 1074910593 /nfs/dbraw/zinc/91/05/93/1074910593.db2.gz WAPLSXGGVHDKIF-DEOSSOPVSA-N -1 3 382.551 3.806 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C2CC2)cn1 ZINC001475553512 1074912632 /nfs/dbraw/zinc/91/26/32/1074912632.db2.gz CHYFKDBFRWGBIT-CYBMUJFWSA-N -1 3 393.317 3.888 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2Cc2ccccc2)c(F)c1 ZINC001475595171 1074922874 /nfs/dbraw/zinc/92/28/74/1074922874.db2.gz QGNPCKQGUDNZFI-KRWDZBQOSA-N -1 3 394.487 3.606 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2c3ccccc3CN2C)c(-c2ccccc2)s1 ZINC001475595051 1074922986 /nfs/dbraw/zinc/92/29/86/1074922986.db2.gz CQOWZAAECDROAN-GOSISDBHSA-N -1 3 399.541 3.584 20 0 GHADHM CC1(C)CO[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC001475667084 1074996361 /nfs/dbraw/zinc/99/63/61/1074996361.db2.gz AQHQJVUYGWEGDQ-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1c(CC)cccc1CC)c1ccccc1 ZINC001475696368 1075001071 /nfs/dbraw/zinc/00/10/71/1075001071.db2.gz MYGVLPCUYLKVMT-NRFANRHFSA-N -1 3 389.517 3.568 20 0 GHADHM O=S(=O)([N-]C1CN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)s1 ZINC001475698160 1075001313 /nfs/dbraw/zinc/00/13/13/1075001313.db2.gz DAGKIDCGVPKCAR-UHFFFAOYSA-N -1 3 396.843 3.587 20 0 GHADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)c1ccc(F)cc1 ZINC001475698800 1075001382 /nfs/dbraw/zinc/00/13/82/1075001382.db2.gz ZMLYCYVTXIPLCL-QGZVFWFLSA-N -1 3 399.528 3.954 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC001475716890 1075006916 /nfs/dbraw/zinc/00/69/16/1075006916.db2.gz WAOOYUCNUQQSBJ-AWEZNQCLSA-N -1 3 397.777 3.510 20 0 GHADHM Cn1nc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1C1CC1 ZINC001475720611 1075008142 /nfs/dbraw/zinc/00/81/42/1075008142.db2.gz LUSKLELXXLPFFJ-UHFFFAOYSA-N -1 3 394.711 3.736 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001475725578 1075009577 /nfs/dbraw/zinc/00/95/77/1075009577.db2.gz RTVMKXORMRCBQG-MRVPVSSYSA-N -1 3 396.822 3.640 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCc3cccnc32)s1 ZINC001475748563 1075013770 /nfs/dbraw/zinc/01/37/70/1075013770.db2.gz VYOXQPWTNDWMBF-LBPRGKRZSA-N -1 3 387.324 3.570 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC001476161898 1075097859 /nfs/dbraw/zinc/09/78/59/1075097859.db2.gz MSYWSYQCHZAUJY-GOSISDBHSA-N -1 3 388.537 3.886 20 0 GHADHM Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c([O-])c1 ZINC000008378458 209136357 /nfs/dbraw/zinc/13/63/57/209136357.db2.gz UGZWRENIHISPOO-UHFFFAOYSA-N -1 3 386.407 3.749 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000097091347 208336522 /nfs/dbraw/zinc/33/65/22/208336522.db2.gz ALHHKBGGHNPTJG-UHFFFAOYSA-N -1 3 382.291 3.955 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1c(Cl)cccc1Cl ZINC000737524602 598825236 /nfs/dbraw/zinc/82/52/36/598825236.db2.gz ODKOXQRHHZJMBO-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1c(Cl)cccc1Cl ZINC000737524602 598825237 /nfs/dbraw/zinc/82/52/37/598825237.db2.gz ODKOXQRHHZJMBO-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Fc1cccc(Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1-c1nnn[n-]1 ZINC000737665486 598830357 /nfs/dbraw/zinc/83/03/57/598830357.db2.gz QNXHUFPLHHSTCI-UHFFFAOYSA-N -1 3 383.774 3.985 20 0 GHADHM Fc1cccc(Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1-c1nn[n-]n1 ZINC000737665486 598830358 /nfs/dbraw/zinc/83/03/58/598830358.db2.gz QNXHUFPLHHSTCI-UHFFFAOYSA-N -1 3 383.774 3.985 20 0 GHADHM Cc1ccc(F)c(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737343652 598836376 /nfs/dbraw/zinc/83/63/76/598836376.db2.gz RIPHUIMZIWLWOE-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1ccc(OCc2nc(CNCc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000737366051 598837779 /nfs/dbraw/zinc/83/77/79/598837779.db2.gz OEFMYZOHPLKZJG-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM Cc1ccc(OCc2nc(CNCc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737366051 598837781 /nfs/dbraw/zinc/83/77/81/598837781.db2.gz OEFMYZOHPLKZJG-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110783 598839700 /nfs/dbraw/zinc/83/97/00/598839700.db2.gz CJFNOKHAPMQPSX-ZHRRBRCNSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110783 598839701 /nfs/dbraw/zinc/83/97/01/598839701.db2.gz CJFNOKHAPMQPSX-ZHRRBRCNSA-N -1 3 390.491 3.691 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737335418 598851620 /nfs/dbraw/zinc/85/16/20/598851620.db2.gz UIVQDTLLGFGEDS-SFHVURJKSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737335418 598851622 /nfs/dbraw/zinc/85/16/22/598851622.db2.gz UIVQDTLLGFGEDS-SFHVURJKSA-N -1 3 376.464 3.723 20 0 GHADHM c1cc(-c2cccc(CNc3ccnc(C4CC4)n3)c2)sc1-c1nnn[n-]1 ZINC000738413014 598855554 /nfs/dbraw/zinc/85/55/54/598855554.db2.gz LLGIJGPVXZELGW-UHFFFAOYSA-N -1 3 375.461 3.875 20 0 GHADHM Clc1ccccc1-c1noc(CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737584488 598859861 /nfs/dbraw/zinc/85/98/61/598859861.db2.gz QUBTXKGFQLNWSK-UHFFFAOYSA-N -1 3 396.838 3.972 20 0 GHADHM Clc1ccccc1-c1noc(CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737584488 598859863 /nfs/dbraw/zinc/85/98/63/598859863.db2.gz QUBTXKGFQLNWSK-UHFFFAOYSA-N -1 3 396.838 3.972 20 0 GHADHM CCn1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C(C)(C)C)C3)cn1 ZINC000736717388 598903479 /nfs/dbraw/zinc/90/34/79/598903479.db2.gz AAQPNPBWBTWJOQ-LBPRGKRZSA-N -1 3 399.524 3.548 20 0 GHADHM CCn1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C(C)(C)C)C3)cn1 ZINC000736717388 598903480 /nfs/dbraw/zinc/90/34/80/598903480.db2.gz AAQPNPBWBTWJOQ-LBPRGKRZSA-N -1 3 399.524 3.548 20 0 GHADHM Fc1cccc(Cl)c1[C@H]1C[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737661636 598911574 /nfs/dbraw/zinc/91/15/74/598911574.db2.gz OKUMJKDRYQVCRE-IINYFYTJSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc(Cl)c1[C@H]1C[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737661636 598911576 /nfs/dbraw/zinc/91/15/76/598911576.db2.gz OKUMJKDRYQVCRE-IINYFYTJSA-N -1 3 388.859 3.502 20 0 GHADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736265849 598923200 /nfs/dbraw/zinc/92/32/00/598923200.db2.gz DKMLEMTUNOVJCY-AWEZNQCLSA-N -1 3 393.451 3.850 20 0 GHADHM O=C(Nc1ccccc1F)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738190436 598926795 /nfs/dbraw/zinc/92/67/95/598926795.db2.gz NIJJBPWFBQQNGO-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1F)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738190436 598926797 /nfs/dbraw/zinc/92/67/97/598926797.db2.gz NIJJBPWFBQQNGO-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736269171 598927629 /nfs/dbraw/zinc/92/76/29/598927629.db2.gz ZNCVJUYSFNENQA-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736269171 598927631 /nfs/dbraw/zinc/92/76/31/598927631.db2.gz ZNCVJUYSFNENQA-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM Cc1sc2nc(C)nc(Sc3ncc(-c4nnn[n-]4)cc3Cl)c2c1C ZINC000737482230 598935978 /nfs/dbraw/zinc/93/59/78/598935978.db2.gz FPXNCFDXQDOZKN-UHFFFAOYSA-N -1 3 389.897 3.996 20 0 GHADHM Cc1sc2nc(C)nc(Sc3ncc(-c4nn[n-]n4)cc3Cl)c2c1C ZINC000737482230 598935979 /nfs/dbraw/zinc/93/59/79/598935979.db2.gz FPXNCFDXQDOZKN-UHFFFAOYSA-N -1 3 389.897 3.996 20 0 GHADHM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737997435 598942977 /nfs/dbraw/zinc/94/29/77/598942977.db2.gz VTQYQBWXTFJHFS-NRFANRHFSA-N -1 3 399.454 3.555 20 0 GHADHM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737997435 598942979 /nfs/dbraw/zinc/94/29/79/598942979.db2.gz VTQYQBWXTFJHFS-NRFANRHFSA-N -1 3 399.454 3.555 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(N2CCCCCC2)c1 ZINC000737803449 598944451 /nfs/dbraw/zinc/94/44/51/598944451.db2.gz SRVOLCLAUJGBPN-SEYXRHQNSA-N -1 3 388.475 3.899 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(N2CCCCCC2)c1 ZINC000737803449 598944452 /nfs/dbraw/zinc/94/44/52/598944452.db2.gz SRVOLCLAUJGBPN-SEYXRHQNSA-N -1 3 388.475 3.899 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000736400448 598952785 /nfs/dbraw/zinc/95/27/85/598952785.db2.gz OGHJROGVUFAXRX-YPMHNXCESA-N -1 3 386.525 3.560 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000736713560 598961137 /nfs/dbraw/zinc/96/11/37/598961137.db2.gz PXCGIAWQORURBW-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000736713560 598961139 /nfs/dbraw/zinc/96/11/39/598961139.db2.gz PXCGIAWQORURBW-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CCCc1ccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736497927 598969661 /nfs/dbraw/zinc/96/96/61/598969661.db2.gz VLNSKVWJPKMEPU-OAHLLOKOSA-N -1 3 399.520 3.591 20 0 GHADHM CCCc1ccc(S(=O)(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736497927 598969662 /nfs/dbraw/zinc/96/96/62/598969662.db2.gz VLNSKVWJPKMEPU-OAHLLOKOSA-N -1 3 399.520 3.591 20 0 GHADHM Cc1cccc(NC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)c1 ZINC000737399968 598976026 /nfs/dbraw/zinc/97/60/26/598976026.db2.gz QKZGWPNGOXZBDH-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM Cc1cccc(NC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)c1 ZINC000737399968 598976027 /nfs/dbraw/zinc/97/60/27/598976027.db2.gz QKZGWPNGOXZBDH-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736257019 598988060 /nfs/dbraw/zinc/98/80/60/598988060.db2.gz ZSTHFBJFYNVBKS-BEFAXECRSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736257019 598988062 /nfs/dbraw/zinc/98/80/62/598988062.db2.gz ZSTHFBJFYNVBKS-BEFAXECRSA-N -1 3 391.475 3.754 20 0 GHADHM Cc1c(NCC(=O)Nc2cc(Cl)ccc2Cl)cccc1-c1nnn[n-]1 ZINC000822121198 607256655 /nfs/dbraw/zinc/25/66/55/607256655.db2.gz BFNVVBIHQLASRV-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1c(NCC(=O)Nc2cc(Cl)ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822121198 607256656 /nfs/dbraw/zinc/25/66/56/607256656.db2.gz BFNVVBIHQLASRV-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736329822 598997357 /nfs/dbraw/zinc/99/73/57/598997357.db2.gz KUBMLURNZPZYFT-CABCVRRESA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736329822 598997359 /nfs/dbraw/zinc/99/73/59/598997359.db2.gz KUBMLURNZPZYFT-CABCVRRESA-N -1 3 379.464 3.610 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000736123856 599004484 /nfs/dbraw/zinc/00/44/84/599004484.db2.gz RIJSLHDNSPTWNE-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736184555 599007266 /nfs/dbraw/zinc/00/72/66/599007266.db2.gz LSWGWIADESOZIM-SCLBCKFNSA-N -1 3 399.882 3.801 20 0 GHADHM CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736184555 599007268 /nfs/dbraw/zinc/00/72/68/599007268.db2.gz LSWGWIADESOZIM-SCLBCKFNSA-N -1 3 399.882 3.801 20 0 GHADHM CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736184554 599007664 /nfs/dbraw/zinc/00/76/64/599007664.db2.gz LSWGWIADESOZIM-FZKQIMNGSA-N -1 3 399.882 3.801 20 0 GHADHM CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736184554 599007666 /nfs/dbraw/zinc/00/76/66/599007666.db2.gz LSWGWIADESOZIM-FZKQIMNGSA-N -1 3 399.882 3.801 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737820908 599015938 /nfs/dbraw/zinc/01/59/38/599015938.db2.gz RZFSBARWEJAJNW-LBPRGKRZSA-N -1 3 385.374 3.527 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737820908 599015940 /nfs/dbraw/zinc/01/59/40/599015940.db2.gz RZFSBARWEJAJNW-LBPRGKRZSA-N -1 3 385.374 3.527 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736222338 599018016 /nfs/dbraw/zinc/01/80/16/599018016.db2.gz CJSVSELKABMHRT-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CCO1 ZINC000822352350 599037275 /nfs/dbraw/zinc/03/72/75/599037275.db2.gz XOWJGRWYGHGDPH-IBGZPJMESA-N -1 3 386.459 3.610 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CCO1 ZINC000822352350 599037278 /nfs/dbraw/zinc/03/72/78/599037278.db2.gz XOWJGRWYGHGDPH-IBGZPJMESA-N -1 3 386.459 3.610 20 0 GHADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736369365 599039241 /nfs/dbraw/zinc/03/92/41/599039241.db2.gz LGMXKVZBBKALEL-CYBMUJFWSA-N -1 3 378.358 3.852 20 0 GHADHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736369365 599039244 /nfs/dbraw/zinc/03/92/44/599039244.db2.gz LGMXKVZBBKALEL-CYBMUJFWSA-N -1 3 378.358 3.852 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)n1 ZINC000820197072 599042865 /nfs/dbraw/zinc/04/28/65/599042865.db2.gz FTJUCXSKGVIFOU-CQSZACIVSA-N -1 3 395.536 3.714 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)n1 ZINC000820197072 599042868 /nfs/dbraw/zinc/04/28/68/599042868.db2.gz FTJUCXSKGVIFOU-CQSZACIVSA-N -1 3 395.536 3.714 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736059659 599043306 /nfs/dbraw/zinc/04/33/06/599043306.db2.gz UYMSSSSVTQJVQL-VIFPVBQESA-N -1 3 382.777 3.977 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736059659 599043308 /nfs/dbraw/zinc/04/33/08/599043308.db2.gz UYMSSSSVTQJVQL-VIFPVBQESA-N -1 3 382.777 3.977 20 0 GHADHM Cc1csc([C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)n1 ZINC000822410143 599045179 /nfs/dbraw/zinc/04/51/79/599045179.db2.gz XMMVIZCTIFMFFN-NSHDSACASA-N -1 3 381.387 3.609 20 0 GHADHM Cc1csc([C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)n1 ZINC000822410143 599045183 /nfs/dbraw/zinc/04/51/83/599045183.db2.gz XMMVIZCTIFMFFN-NSHDSACASA-N -1 3 381.387 3.609 20 0 GHADHM CC(C)COC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000735838417 599050788 /nfs/dbraw/zinc/05/07/88/599050788.db2.gz PSACDVBKABWHER-GFCCVEGCSA-N -1 3 396.373 3.699 20 0 GHADHM CC(C)COC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000735838417 599050791 /nfs/dbraw/zinc/05/07/91/599050791.db2.gz PSACDVBKABWHER-GFCCVEGCSA-N -1 3 396.373 3.699 20 0 GHADHM Cc1ccc2c(CCNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000737371880 599051417 /nfs/dbraw/zinc/05/14/17/599051417.db2.gz OMVJBSXBNXHVAL-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM Cc1ccc2c(CCNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000737371880 599051420 /nfs/dbraw/zinc/05/14/20/599051420.db2.gz OMVJBSXBNXHVAL-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819940226 599052594 /nfs/dbraw/zinc/05/25/94/599052594.db2.gz SUDOEKYKKFKFOR-ZFWWWQNUSA-N -1 3 390.463 3.501 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC(OC3CCCCC3)CC2)n1 ZINC000737632014 599052751 /nfs/dbraw/zinc/05/27/51/599052751.db2.gz HZAPDKZPTSFTHE-UHFFFAOYSA-N -1 3 396.417 3.599 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC(OC3CCCCC3)CC2)n1 ZINC000737632014 599052754 /nfs/dbraw/zinc/05/27/54/599052754.db2.gz HZAPDKZPTSFTHE-UHFFFAOYSA-N -1 3 396.417 3.599 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1nn2cc(-c3ccccc3)nc2s1 ZINC000822748171 599058415 /nfs/dbraw/zinc/05/84/15/599058415.db2.gz LDPAVUGBXXFGMA-UHFFFAOYSA-N -1 3 395.448 3.928 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1nn2cc(-c3ccccc3)nc2s1 ZINC000822748171 599058417 /nfs/dbraw/zinc/05/84/17/599058417.db2.gz LDPAVUGBXXFGMA-UHFFFAOYSA-N -1 3 395.448 3.928 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000737645064 599066093 /nfs/dbraw/zinc/06/60/93/599066093.db2.gz PSHPHOLLALTGQR-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000737645064 599066096 /nfs/dbraw/zinc/06/60/96/599066096.db2.gz PSHPHOLLALTGQR-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM CCO[C@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC000736613205 599067796 /nfs/dbraw/zinc/06/77/96/599067796.db2.gz RPDWNFSQSLBOHG-IRXDYDNUSA-N -1 3 396.520 3.791 20 0 GHADHM CCO[C@H]1C[C@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC000736613205 599067799 /nfs/dbraw/zinc/06/77/99/599067799.db2.gz RPDWNFSQSLBOHG-IRXDYDNUSA-N -1 3 396.520 3.791 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737410833 599068621 /nfs/dbraw/zinc/06/86/21/599068621.db2.gz UHHXLRZKVNNVFM-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737410833 599068623 /nfs/dbraw/zinc/06/86/23/599068623.db2.gz UHHXLRZKVNNVFM-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000736479915 599071049 /nfs/dbraw/zinc/07/10/49/599071049.db2.gz MBTRTMCHBVACCB-FUHWJXTLSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000736479915 599071051 /nfs/dbraw/zinc/07/10/51/599071051.db2.gz MBTRTMCHBVACCB-FUHWJXTLSA-N -1 3 397.429 3.687 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@@H]1C ZINC000736269093 599082609 /nfs/dbraw/zinc/08/26/09/599082609.db2.gz ZDNWXAOCDAXUBC-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000736269093 599082611 /nfs/dbraw/zinc/08/26/11/599082611.db2.gz ZDNWXAOCDAXUBC-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736235118 599090118 /nfs/dbraw/zinc/09/01/18/599090118.db2.gz MJAITZSWHRKYDD-VCBZYWHSSA-N -1 3 393.516 3.752 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736235118 599090121 /nfs/dbraw/zinc/09/01/21/599090121.db2.gz MJAITZSWHRKYDD-VCBZYWHSSA-N -1 3 393.516 3.752 20 0 GHADHM C[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000736112685 599108862 /nfs/dbraw/zinc/10/88/62/599108862.db2.gz SYIMZMJGCNYQGT-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000736112685 599108865 /nfs/dbraw/zinc/10/88/65/599108865.db2.gz SYIMZMJGCNYQGT-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321830 599136602 /nfs/dbraw/zinc/13/66/02/599136602.db2.gz MWYUBGBJMLTOPP-VMPCVLLUSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321830 599136604 /nfs/dbraw/zinc/13/66/04/599136604.db2.gz MWYUBGBJMLTOPP-VMPCVLLUSA-N -1 3 382.493 3.511 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233561 599137052 /nfs/dbraw/zinc/13/70/52/599137052.db2.gz RIIQCAOPPRWYLI-XPGWFJOJSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233561 599137054 /nfs/dbraw/zinc/13/70/54/599137054.db2.gz RIIQCAOPPRWYLI-XPGWFJOJSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822431616 599138157 /nfs/dbraw/zinc/13/81/57/599138157.db2.gz CGHIIXFIBHCADR-LLVKDONJSA-N -1 3 382.493 3.780 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822431616 599138159 /nfs/dbraw/zinc/13/81/59/599138159.db2.gz CGHIIXFIBHCADR-LLVKDONJSA-N -1 3 382.493 3.780 20 0 GHADHM O=C(OCc1ccon1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738235784 599149040 /nfs/dbraw/zinc/14/90/40/599149040.db2.gz WMJDZVADBMDNHG-UHFFFAOYSA-N -1 3 393.428 3.504 20 0 GHADHM O=C(OCc1ccon1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738235784 599149043 /nfs/dbraw/zinc/14/90/43/599149043.db2.gz WMJDZVADBMDNHG-UHFFFAOYSA-N -1 3 393.428 3.504 20 0 GHADHM CC(C)(C)c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000735652167 599158321 /nfs/dbraw/zinc/15/83/21/599158321.db2.gz CORPUHZGNGGOAV-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000735652167 599158324 /nfs/dbraw/zinc/15/83/24/599158324.db2.gz CORPUHZGNGGOAV-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233249 599161715 /nfs/dbraw/zinc/16/17/15/599161715.db2.gz LDTDPFJTTGLWGF-NEXBPWEZSA-N -1 3 387.487 3.983 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233249 599161716 /nfs/dbraw/zinc/16/17/16/599161716.db2.gz LDTDPFJTTGLWGF-NEXBPWEZSA-N -1 3 387.487 3.983 20 0 GHADHM Cc1ccc([C@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737333288 599167321 /nfs/dbraw/zinc/16/73/21/599167321.db2.gz SRROKBQOVDTPML-OEIFXAAASA-N -1 3 391.500 3.505 20 0 GHADHM Cc1ccc([C@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737333288 599167324 /nfs/dbraw/zinc/16/73/24/599167324.db2.gz SRROKBQOVDTPML-OEIFXAAASA-N -1 3 391.500 3.505 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819975773 599172932 /nfs/dbraw/zinc/17/29/32/599172932.db2.gz CAIGPNOJAJSKFD-UHFFFAOYSA-N -1 3 381.455 3.671 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819975773 599172935 /nfs/dbraw/zinc/17/29/35/599172935.db2.gz CAIGPNOJAJSKFD-UHFFFAOYSA-N -1 3 381.455 3.671 20 0 GHADHM Cc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)n1C1CCCCC1 ZINC000822176595 599173715 /nfs/dbraw/zinc/17/37/15/599173715.db2.gz MCKFWQNWZRMYDF-UHFFFAOYSA-N -1 3 396.470 3.859 20 0 GHADHM Cc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)n1C1CCCCC1 ZINC000822176595 599173718 /nfs/dbraw/zinc/17/37/18/599173718.db2.gz MCKFWQNWZRMYDF-UHFFFAOYSA-N -1 3 396.470 3.859 20 0 GHADHM O=c1[nH]c(CSc2ccc(-c3nnn[n-]3)cc2F)nc2ccc(Cl)cc12 ZINC000738373731 599174834 /nfs/dbraw/zinc/17/48/34/599174834.db2.gz GHSSGBZARRNXIL-UHFFFAOYSA-N -1 3 388.815 3.600 20 0 GHADHM O=c1[nH]c(CSc2ccc(-c3nn[n-]n3)cc2F)nc2ccc(Cl)cc12 ZINC000738373731 599174836 /nfs/dbraw/zinc/17/48/36/599174836.db2.gz GHSSGBZARRNXIL-UHFFFAOYSA-N -1 3 388.815 3.600 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736351337 599175450 /nfs/dbraw/zinc/17/54/50/599175450.db2.gz FNUWIFIZKPOBIK-INIZCTEOSA-N -1 3 380.521 3.825 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736351337 599175452 /nfs/dbraw/zinc/17/54/52/599175452.db2.gz FNUWIFIZKPOBIK-INIZCTEOSA-N -1 3 380.521 3.825 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000735873558 599182395 /nfs/dbraw/zinc/18/23/95/599182395.db2.gz GQPVOQCHOJFLOP-UHFFFAOYSA-N -1 3 379.395 3.803 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000735873558 599182397 /nfs/dbraw/zinc/18/23/97/599182397.db2.gz GQPVOQCHOJFLOP-UHFFFAOYSA-N -1 3 379.395 3.803 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000735552213 599186551 /nfs/dbraw/zinc/18/65/51/599186551.db2.gz VYSXEUSOCVAQFB-VIFPVBQESA-N -1 3 393.781 3.864 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000735552213 599186553 /nfs/dbraw/zinc/18/65/53/599186553.db2.gz VYSXEUSOCVAQFB-VIFPVBQESA-N -1 3 393.781 3.864 20 0 GHADHM CC(C)C(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735695107 599187452 /nfs/dbraw/zinc/18/74/52/599187452.db2.gz PJNHICVYVPNRQM-UHFFFAOYSA-N -1 3 381.440 3.610 20 0 GHADHM CC(C)C(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735695107 599187454 /nfs/dbraw/zinc/18/74/54/599187454.db2.gz PJNHICVYVPNRQM-UHFFFAOYSA-N -1 3 381.440 3.610 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820949822 599201066 /nfs/dbraw/zinc/20/10/66/599201066.db2.gz GFEHZKKAGGXULU-OAQYLSRUSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000820989138 599214355 /nfs/dbraw/zinc/21/43/55/599214355.db2.gz MPDRRVZSGOYICR-GOSISDBHSA-N -1 3 394.504 3.578 20 0 GHADHM Cc1c[nH]cc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822130485 599219410 /nfs/dbraw/zinc/21/94/10/599219410.db2.gz UFJWJHLPZMEHRT-UHFFFAOYSA-N -1 3 378.367 3.687 20 0 GHADHM Cc1c[nH]cc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822130485 599219412 /nfs/dbraw/zinc/21/94/12/599219412.db2.gz UFJWJHLPZMEHRT-UHFFFAOYSA-N -1 3 378.367 3.687 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822060230 607268763 /nfs/dbraw/zinc/26/87/63/607268763.db2.gz GFBLJJLXUOWXDA-CABCVRRESA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822060230 607268764 /nfs/dbraw/zinc/26/87/64/607268764.db2.gz GFBLJJLXUOWXDA-CABCVRRESA-N -1 3 398.264 3.680 20 0 GHADHM COc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821835971 599239119 /nfs/dbraw/zinc/23/91/19/599239119.db2.gz VWWYFSROGKZYBO-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821835971 599239122 /nfs/dbraw/zinc/23/91/22/599239122.db2.gz VWWYFSROGKZYBO-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820020686 599241995 /nfs/dbraw/zinc/24/19/95/599241995.db2.gz JWLMMKHFDCDHPO-SFHVURJKSA-N -1 3 382.443 3.737 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820020686 599241999 /nfs/dbraw/zinc/24/19/99/599241999.db2.gz JWLMMKHFDCDHPO-SFHVURJKSA-N -1 3 382.443 3.737 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737801142 599243752 /nfs/dbraw/zinc/24/37/52/599243752.db2.gz LXOORNKGYQBFJJ-CMDGGOBGSA-N -1 3 379.851 3.596 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737801142 599243754 /nfs/dbraw/zinc/24/37/54/599243754.db2.gz LXOORNKGYQBFJJ-CMDGGOBGSA-N -1 3 379.851 3.596 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000822344881 607269386 /nfs/dbraw/zinc/26/93/86/607269386.db2.gz CHAIVASLXVWHDE-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000822344881 607269387 /nfs/dbraw/zinc/26/93/87/607269387.db2.gz CHAIVASLXVWHDE-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1sc(NC(=O)C=Cc2ccnc3ccccc23)c(-c2nnn[n-]2)c1C ZINC000737562476 599245987 /nfs/dbraw/zinc/24/59/87/599245987.db2.gz NDSAKDABDJDMAN-BQYQJAHWSA-N -1 3 376.445 3.745 20 0 GHADHM Cc1sc(NC(=O)C=Cc2ccnc3ccccc23)c(-c2nn[n-]n2)c1C ZINC000737562476 599245989 /nfs/dbraw/zinc/24/59/89/599245989.db2.gz NDSAKDABDJDMAN-BQYQJAHWSA-N -1 3 376.445 3.745 20 0 GHADHM CCN(c1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1)C(C)C ZINC000821230813 599247195 /nfs/dbraw/zinc/24/71/95/599247195.db2.gz RMHQVMHTXCRFGN-UHFFFAOYSA-N -1 3 397.458 3.562 20 0 GHADHM CCN(c1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1)C(C)C ZINC000821230813 599247197 /nfs/dbraw/zinc/24/71/97/599247197.db2.gz RMHQVMHTXCRFGN-UHFFFAOYSA-N -1 3 397.458 3.562 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737805554 599247238 /nfs/dbraw/zinc/24/72/38/599247238.db2.gz ISBOPNIWTSYWBT-XFXZXTDPSA-N -1 3 396.454 3.619 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737805554 599247240 /nfs/dbraw/zinc/24/72/40/599247240.db2.gz ISBOPNIWTSYWBT-XFXZXTDPSA-N -1 3 396.454 3.619 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379392 599251551 /nfs/dbraw/zinc/25/15/51/599251551.db2.gz CDBRQMVTCNAEKY-NSHDSACASA-N -1 3 389.419 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379392 599251554 /nfs/dbraw/zinc/25/15/54/599251554.db2.gz CDBRQMVTCNAEKY-NSHDSACASA-N -1 3 389.419 3.768 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2CCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822083953 607281281 /nfs/dbraw/zinc/28/12/81/607281281.db2.gz FZFAJZZWLBCLAO-KRWDZBQOSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2CCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822083953 607281282 /nfs/dbraw/zinc/28/12/82/607281282.db2.gz FZFAJZZWLBCLAO-KRWDZBQOSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1c(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cccc1-c1nnn[n-]1 ZINC000822084878 607281290 /nfs/dbraw/zinc/28/12/90/607281290.db2.gz RCSCRSWXOFFVSR-UHFFFAOYSA-N -1 3 399.458 3.978 20 0 GHADHM Cc1c(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cccc1-c1nn[n-]n1 ZINC000822084878 607281291 /nfs/dbraw/zinc/28/12/91/607281291.db2.gz RCSCRSWXOFFVSR-UHFFFAOYSA-N -1 3 399.458 3.978 20 0 GHADHM CCC(CC)c1nnc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000820897335 599252110 /nfs/dbraw/zinc/25/21/10/599252110.db2.gz AGHVSBAIDZKTMP-SNVBAGLBSA-N -1 3 386.485 3.505 20 0 GHADHM CCC(CC)c1nnc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820897335 599252111 /nfs/dbraw/zinc/25/21/11/599252111.db2.gz AGHVSBAIDZKTMP-SNVBAGLBSA-N -1 3 386.485 3.505 20 0 GHADHM Cc1c(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822075777 607282142 /nfs/dbraw/zinc/28/21/42/607282142.db2.gz IPLCJMQTZUQAGY-LBPRGKRZSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1c(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822075777 607282143 /nfs/dbraw/zinc/28/21/43/607282143.db2.gz IPLCJMQTZUQAGY-LBPRGKRZSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822084682 607285653 /nfs/dbraw/zinc/28/56/53/607285653.db2.gz NMWZDYOBKXVQRU-YOEHRIQHSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822084682 607285654 /nfs/dbraw/zinc/28/56/54/607285654.db2.gz NMWZDYOBKXVQRU-YOEHRIQHSA-N -1 3 376.464 3.833 20 0 GHADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821422149 599257773 /nfs/dbraw/zinc/25/77/73/599257773.db2.gz POHFTVYHPLCYHT-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821422149 599257776 /nfs/dbraw/zinc/25/77/76/599257776.db2.gz POHFTVYHPLCYHT-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822084528 607286481 /nfs/dbraw/zinc/28/64/81/607286481.db2.gz MEBCQLSIEKEOMY-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822084528 607286482 /nfs/dbraw/zinc/28/64/82/607286482.db2.gz MEBCQLSIEKEOMY-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(Cl)ccc1F ZINC000735734938 599261618 /nfs/dbraw/zinc/26/16/18/599261618.db2.gz KSJDIQFCHMORFP-MRXNPFEDSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(Cl)ccc1F ZINC000735734938 599261619 /nfs/dbraw/zinc/26/16/19/599261619.db2.gz KSJDIQFCHMORFP-MRXNPFEDSA-N -1 3 390.802 3.668 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390198 599262500 /nfs/dbraw/zinc/26/25/00/599262500.db2.gz SLWDZEUGPNIBOB-HXUWFJFHSA-N -1 3 391.475 3.698 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822486875 607295363 /nfs/dbraw/zinc/29/53/63/607295363.db2.gz UMJIHHBRTKBEIO-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822486875 607295364 /nfs/dbraw/zinc/29/53/64/607295364.db2.gz UMJIHHBRTKBEIO-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736112878 599261398 /nfs/dbraw/zinc/26/13/98/599261398.db2.gz VQICGXFOOCBYHJ-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736112878 599261400 /nfs/dbraw/zinc/26/14/00/599261400.db2.gz VQICGXFOOCBYHJ-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820666764 599262945 /nfs/dbraw/zinc/26/29/45/599262945.db2.gz JNOYIDWKPFDTGL-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820666764 599262946 /nfs/dbraw/zinc/26/29/46/599262946.db2.gz JNOYIDWKPFDTGL-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000820206702 607309813 /nfs/dbraw/zinc/30/98/13/607309813.db2.gz WXBCLRZAZMFZOD-UHFFFAOYSA-N -1 3 379.493 3.909 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000820206702 607309814 /nfs/dbraw/zinc/30/98/14/607309814.db2.gz WXBCLRZAZMFZOD-UHFFFAOYSA-N -1 3 379.493 3.909 20 0 GHADHM CCCC(=O)Nc1cccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000821008767 607310496 /nfs/dbraw/zinc/31/04/96/607310496.db2.gz KYDFHNXDEQAMJD-UHFFFAOYSA-N -1 3 380.452 3.534 20 0 GHADHM CCCC(=O)Nc1cccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000821008767 607310497 /nfs/dbraw/zinc/31/04/97/607310497.db2.gz KYDFHNXDEQAMJD-UHFFFAOYSA-N -1 3 380.452 3.534 20 0 GHADHM Cc1cc(NCc2ccc3c(c2)COC3)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209448 607305801 /nfs/dbraw/zinc/30/58/01/607305801.db2.gz JJJBOPGVKRMZAZ-UHFFFAOYSA-N -1 3 397.442 3.618 20 0 GHADHM Cc1cc(NCc2ccc3c(c2)COC3)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209448 607305802 /nfs/dbraw/zinc/30/58/02/607305802.db2.gz JJJBOPGVKRMZAZ-UHFFFAOYSA-N -1 3 397.442 3.618 20 0 GHADHM COc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821275 607317143 /nfs/dbraw/zinc/31/71/43/607317143.db2.gz CXHDYLJAEIYUSE-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821275 607317144 /nfs/dbraw/zinc/31/71/44/607317144.db2.gz CXHDYLJAEIYUSE-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000822217348 599268798 /nfs/dbraw/zinc/26/87/98/599268798.db2.gz BVTQLMFAHZHOIL-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000822217348 599268800 /nfs/dbraw/zinc/26/88/00/599268800.db2.gz BVTQLMFAHZHOIL-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Fc1ccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1F ZINC000737647377 599269406 /nfs/dbraw/zinc/26/94/06/599269406.db2.gz CVHQCXSXGMPZPA-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000822217905 599270244 /nfs/dbraw/zinc/27/02/44/599270244.db2.gz REKGUQCLKXPTDW-CRAIPNDOSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000822217905 599270245 /nfs/dbraw/zinc/27/02/45/599270245.db2.gz REKGUQCLKXPTDW-CRAIPNDOSA-N -1 3 376.464 3.833 20 0 GHADHM C[C@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115480 599274975 /nfs/dbraw/zinc/27/49/75/599274975.db2.gz YITNNZDYELLCCK-AWEZNQCLSA-N -1 3 382.512 3.976 20 0 GHADHM C[C@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115480 599274976 /nfs/dbraw/zinc/27/49/76/599274976.db2.gz YITNNZDYELLCCK-AWEZNQCLSA-N -1 3 382.512 3.976 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CSc2ccccc21 ZINC000735904757 599277647 /nfs/dbraw/zinc/27/76/47/599277647.db2.gz AYEYEQRJJXHASV-HNNXBMFYSA-N -1 3 396.476 3.622 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CSc2ccccc21 ZINC000735904757 599277649 /nfs/dbraw/zinc/27/76/49/599277649.db2.gz AYEYEQRJJXHASV-HNNXBMFYSA-N -1 3 396.476 3.622 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000823299056 599277661 /nfs/dbraw/zinc/27/76/61/599277661.db2.gz FMLIQYVKLJVHRG-QWHCGFSZSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000823299056 599277663 /nfs/dbraw/zinc/27/76/63/599277663.db2.gz FMLIQYVKLJVHRG-QWHCGFSZSA-N -1 3 392.410 3.558 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000821504532 599279861 /nfs/dbraw/zinc/27/98/61/599279861.db2.gz HDQRWQKLCUDJAC-SNVBAGLBSA-N -1 3 389.460 3.558 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000821504532 599279863 /nfs/dbraw/zinc/27/98/63/599279863.db2.gz HDQRWQKLCUDJAC-SNVBAGLBSA-N -1 3 389.460 3.558 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000820380256 599283219 /nfs/dbraw/zinc/28/32/19/599283219.db2.gz OMTPVSGFSKBESS-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000820380256 599283224 /nfs/dbraw/zinc/28/32/24/599283224.db2.gz OMTPVSGFSKBESS-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820571437 599285464 /nfs/dbraw/zinc/28/54/64/599285464.db2.gz YLBRRBRSOATSGF-VIFPVBQESA-N -1 3 380.330 3.703 20 0 GHADHM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820571437 599285466 /nfs/dbraw/zinc/28/54/66/599285466.db2.gz YLBRRBRSOATSGF-VIFPVBQESA-N -1 3 380.330 3.703 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822236091 599287712 /nfs/dbraw/zinc/28/77/12/599287712.db2.gz JQJQJWYUQNYNIQ-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822236091 599287716 /nfs/dbraw/zinc/28/77/16/599287716.db2.gz JQJQJWYUQNYNIQ-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1nc2c3ccccc3nc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2n1 ZINC000737487915 599288743 /nfs/dbraw/zinc/28/87/43/599288743.db2.gz LNEARMRERBHQTM-LLVKDONJSA-N -1 3 388.460 3.619 20 0 GHADHM Cc1nc2c3ccccc3nc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2n1 ZINC000737487915 599288745 /nfs/dbraw/zinc/28/87/45/599288745.db2.gz LNEARMRERBHQTM-LLVKDONJSA-N -1 3 388.460 3.619 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC(c4nc5ccccc5[nH]4)C3)c2c1 ZINC000822195482 607328694 /nfs/dbraw/zinc/32/86/94/607328694.db2.gz STGWUBWSMICVRQ-UHFFFAOYSA-N -1 3 396.458 3.512 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CC(c4nc5ccccc5[nH]4)C3)c2c1 ZINC000822195482 607328695 /nfs/dbraw/zinc/32/86/95/607328695.db2.gz STGWUBWSMICVRQ-UHFFFAOYSA-N -1 3 396.458 3.512 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821082197 607333271 /nfs/dbraw/zinc/33/32/71/607333271.db2.gz IHGMBMUMYSLCSB-UHFFFAOYSA-N -1 3 378.480 3.739 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821082197 607333272 /nfs/dbraw/zinc/33/32/72/607333272.db2.gz IHGMBMUMYSLCSB-UHFFFAOYSA-N -1 3 378.480 3.739 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc(Cl)c[nH]1 ZINC000738185984 598231251 /nfs/dbraw/zinc/23/12/51/598231251.db2.gz VTLBVEQMJBCPDK-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000737639806 598235184 /nfs/dbraw/zinc/23/51/84/598235184.db2.gz GHANHZHIQKSVIK-ZDUSSCGKSA-N -1 3 380.452 4.000 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000737798547 598240387 /nfs/dbraw/zinc/24/03/87/598240387.db2.gz LUYBEELSIBCTQM-YFPIXMDGSA-N -1 3 391.450 3.643 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000737798547 598240388 /nfs/dbraw/zinc/24/03/88/598240388.db2.gz LUYBEELSIBCTQM-YFPIXMDGSA-N -1 3 391.450 3.643 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000737639728 598241698 /nfs/dbraw/zinc/24/16/98/598241698.db2.gz FMLDOVKOBVMPFN-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c(-c2nnn[n-]2)c1 ZINC000737648416 598252912 /nfs/dbraw/zinc/25/29/12/598252912.db2.gz KIMAYCWIUUTMAR-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Fc1ccc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c(-c2nn[n-]n2)c1 ZINC000737648416 598252913 /nfs/dbraw/zinc/25/29/13/598252913.db2.gz KIMAYCWIUUTMAR-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736265193 598263996 /nfs/dbraw/zinc/26/39/96/598263996.db2.gz ZCVISIGCOHOUFO-SUMWQHHRSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736265193 598263998 /nfs/dbraw/zinc/26/39/98/598263998.db2.gz ZCVISIGCOHOUFO-SUMWQHHRSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736261623 598264497 /nfs/dbraw/zinc/26/44/97/598264497.db2.gz LBIPBTSKQKKSRR-SCLBCKFNSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736261623 598264498 /nfs/dbraw/zinc/26/44/98/598264498.db2.gz LBIPBTSKQKKSRR-SCLBCKFNSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000736019248 598266365 /nfs/dbraw/zinc/26/63/65/598266365.db2.gz ZPMHUZAUVCHAPT-ZDUSSCGKSA-N -1 3 378.436 3.827 20 0 GHADHM C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736019248 598266368 /nfs/dbraw/zinc/26/63/68/598266368.db2.gz ZPMHUZAUVCHAPT-ZDUSSCGKSA-N -1 3 378.436 3.827 20 0 GHADHM CC(C)CCc1noc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735818000 598273195 /nfs/dbraw/zinc/27/31/95/598273195.db2.gz HTABHKYKZPVFDC-UHFFFAOYSA-N -1 3 388.497 3.541 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000735914015 598279412 /nfs/dbraw/zinc/27/94/12/598279412.db2.gz GNOQHILITMHKDK-UHFFFAOYSA-N -1 3 389.818 3.723 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000735914015 598279413 /nfs/dbraw/zinc/27/94/13/598279413.db2.gz GNOQHILITMHKDK-UHFFFAOYSA-N -1 3 389.818 3.723 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@@H](C)c1cccc(O)c1 ZINC000736506073 598279822 /nfs/dbraw/zinc/27/98/22/598279822.db2.gz PXANQWSQKGGBKC-ZDUSSCGKSA-N -1 3 397.483 3.744 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@@H](C)c1cccc(O)c1 ZINC000736506073 598279823 /nfs/dbraw/zinc/27/98/23/598279823.db2.gz PXANQWSQKGGBKC-ZDUSSCGKSA-N -1 3 397.483 3.744 20 0 GHADHM CCN(CCc1cccs1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736543337 598281132 /nfs/dbraw/zinc/28/11/32/598281132.db2.gz ZLFUEFRGYBWYMS-UHFFFAOYSA-N -1 3 387.513 3.581 20 0 GHADHM CCN(CCc1cccs1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736543337 598281133 /nfs/dbraw/zinc/28/11/33/598281133.db2.gz ZLFUEFRGYBWYMS-UHFFFAOYSA-N -1 3 387.513 3.581 20 0 GHADHM CC(C)c1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735952073 598282354 /nfs/dbraw/zinc/28/23/54/598282354.db2.gz CTDWLOQNBPSOHV-UHFFFAOYSA-N -1 3 377.408 3.778 20 0 GHADHM CCCCc1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736467060 598282509 /nfs/dbraw/zinc/28/25/09/598282509.db2.gz RYNWMBRQMANRPU-UHFFFAOYSA-N -1 3 391.435 3.997 20 0 GHADHM O=C(Cc1ccccc1O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737973858 598287379 /nfs/dbraw/zinc/28/73/79/598287379.db2.gz IQYDUKSAITZGGX-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737464723 598302627 /nfs/dbraw/zinc/30/26/27/598302627.db2.gz WBAXKWFGARCEGM-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737464723 598302629 /nfs/dbraw/zinc/30/26/29/598302629.db2.gz WBAXKWFGARCEGM-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1(C(F)(F)F)CC1 ZINC000738235887 598302918 /nfs/dbraw/zinc/30/29/18/598302918.db2.gz BJOJKMWOVPAIQV-UHFFFAOYSA-N -1 3 388.349 3.919 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1(C(F)(F)F)CC1 ZINC000738235887 598302920 /nfs/dbraw/zinc/30/29/20/598302920.db2.gz BJOJKMWOVPAIQV-UHFFFAOYSA-N -1 3 388.349 3.919 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737214551 598305178 /nfs/dbraw/zinc/30/51/78/598305178.db2.gz LTJCPOAMDUOJMU-UHFFFAOYSA-N -1 3 385.786 3.644 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737214551 598305180 /nfs/dbraw/zinc/30/51/80/598305180.db2.gz LTJCPOAMDUOJMU-UHFFFAOYSA-N -1 3 385.786 3.644 20 0 GHADHM CCCCCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736451850 598305479 /nfs/dbraw/zinc/30/54/79/598305479.db2.gz PSIZSDUUSZXNSI-UHFFFAOYSA-N -1 3 383.427 3.505 20 0 GHADHM CCCCCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736451850 598305480 /nfs/dbraw/zinc/30/54/80/598305480.db2.gz PSIZSDUUSZXNSI-UHFFFAOYSA-N -1 3 383.427 3.505 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000735838824 598313518 /nfs/dbraw/zinc/31/35/18/598313518.db2.gz ISHZHXNXRRLZAF-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000735838824 598313519 /nfs/dbraw/zinc/31/35/19/598313519.db2.gz ISHZHXNXRRLZAF-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737576103 598315833 /nfs/dbraw/zinc/31/58/33/598315833.db2.gz VBNZYERYSITSRS-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM COc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000737104519 598317296 /nfs/dbraw/zinc/31/72/96/598317296.db2.gz QYDJRMLNOAPMCY-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM COc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000737104519 598317298 /nfs/dbraw/zinc/31/72/98/598317298.db2.gz QYDJRMLNOAPMCY-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM Cc1ccc(OC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737363647 598325773 /nfs/dbraw/zinc/32/57/73/598325773.db2.gz DDUGVXLNRFFZIB-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM Cc1ccc(OC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737363647 598325775 /nfs/dbraw/zinc/32/57/75/598325775.db2.gz DDUGVXLNRFFZIB-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736197926 598327928 /nfs/dbraw/zinc/32/79/28/598327928.db2.gz FBTZYBZMFFDUHO-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736197926 598327929 /nfs/dbraw/zinc/32/79/29/598327929.db2.gz FBTZYBZMFFDUHO-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736189717 598357479 /nfs/dbraw/zinc/35/74/79/598357479.db2.gz QQHKHAHQJRRVDI-LLVKDONJSA-N -1 3 396.501 3.861 20 0 GHADHM C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736189717 598357482 /nfs/dbraw/zinc/35/74/82/598357482.db2.gz QQHKHAHQJRRVDI-LLVKDONJSA-N -1 3 396.501 3.861 20 0 GHADHM CO[C@@H](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736957734 598360809 /nfs/dbraw/zinc/36/08/09/598360809.db2.gz KLHAKZYWRGAADY-AWEZNQCLSA-N -1 3 396.451 3.514 20 0 GHADHM CO[C@@H](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736957734 598360810 /nfs/dbraw/zinc/36/08/10/598360810.db2.gz KLHAKZYWRGAADY-AWEZNQCLSA-N -1 3 396.451 3.514 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737378451 598367288 /nfs/dbraw/zinc/36/72/88/598367288.db2.gz BUPSIDIMMWAXSL-UHFFFAOYSA-N -1 3 383.455 3.701 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737378451 598367290 /nfs/dbraw/zinc/36/72/90/598367290.db2.gz BUPSIDIMMWAXSL-UHFFFAOYSA-N -1 3 383.455 3.701 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(Cl)c1Cl ZINC000738317677 598380749 /nfs/dbraw/zinc/38/07/49/598380749.db2.gz FNRVMQVMNZSJHL-MDWZMJQESA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(Cl)c1Cl ZINC000738317677 598380751 /nfs/dbraw/zinc/38/07/51/598380751.db2.gz FNRVMQVMNZSJHL-MDWZMJQESA-N -1 3 386.198 3.518 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(Oc2ccccc2)nc1 ZINC000737558643 598393815 /nfs/dbraw/zinc/39/38/15/598393815.db2.gz PNIIVPPMGHHUHQ-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(Oc2ccccc2)nc1 ZINC000737558643 598393817 /nfs/dbraw/zinc/39/38/17/598393817.db2.gz PNIIVPPMGHHUHQ-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM CSc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cn1 ZINC000737190427 598418744 /nfs/dbraw/zinc/41/87/44/598418744.db2.gz MHMJUDPRIACDNW-UHFFFAOYSA-N -1 3 388.456 3.903 20 0 GHADHM CSc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cn1 ZINC000737190427 598418745 /nfs/dbraw/zinc/41/87/45/598418745.db2.gz MHMJUDPRIACDNW-UHFFFAOYSA-N -1 3 388.456 3.903 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736054847 598418919 /nfs/dbraw/zinc/41/89/19/598418919.db2.gz BHPGCUOQRMPDDZ-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736054847 598418921 /nfs/dbraw/zinc/41/89/21/598418921.db2.gz BHPGCUOQRMPDDZ-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000736633840 598431145 /nfs/dbraw/zinc/43/11/45/598431145.db2.gz FPGLWNKPMAFAOV-CQSZACIVSA-N -1 3 380.452 3.765 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000736633840 598431146 /nfs/dbraw/zinc/43/11/46/598431146.db2.gz FPGLWNKPMAFAOV-CQSZACIVSA-N -1 3 380.452 3.765 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1cccs1 ZINC000738230011 598432163 /nfs/dbraw/zinc/43/21/63/598432163.db2.gz CXNHSMKTVHXQBU-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1cccs1 ZINC000738230011 598432164 /nfs/dbraw/zinc/43/21/64/598432164.db2.gz CXNHSMKTVHXQBU-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736815358 598443302 /nfs/dbraw/zinc/44/33/02/598443302.db2.gz YDFUPWAPLCLOOI-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736815358 598443303 /nfs/dbraw/zinc/44/33/03/598443303.db2.gz YDFUPWAPLCLOOI-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM c1sc(Nc2ccc3c(c2)OCCCO3)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738421775 598465080 /nfs/dbraw/zinc/46/50/80/598465080.db2.gz VOWRCSBWBAUYGF-UHFFFAOYSA-N -1 3 392.444 3.895 20 0 GHADHM c1sc(Nc2ccc3c(c2)OCCCO3)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738421775 598465081 /nfs/dbraw/zinc/46/50/81/598465081.db2.gz VOWRCSBWBAUYGF-UHFFFAOYSA-N -1 3 392.444 3.895 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cc(-c2ccccc2)on1 ZINC000737023713 598471335 /nfs/dbraw/zinc/47/13/35/598471335.db2.gz AXUSRPRIISDVPM-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cc(-c2ccccc2)on1 ZINC000737023713 598471337 /nfs/dbraw/zinc/47/13/37/598471337.db2.gz AXUSRPRIISDVPM-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000736961194 598476594 /nfs/dbraw/zinc/47/65/94/598476594.db2.gz JUJCLRGOXANZLS-CQSZACIVSA-N -1 3 392.463 3.771 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000736961194 598476595 /nfs/dbraw/zinc/47/65/95/598476595.db2.gz JUJCLRGOXANZLS-CQSZACIVSA-N -1 3 392.463 3.771 20 0 GHADHM Cn1ccc2c1cccc2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737611021 598477211 /nfs/dbraw/zinc/47/72/11/598477211.db2.gz DUZSIWJPPRBHBI-UHFFFAOYSA-N -1 3 387.447 3.555 20 0 GHADHM Cn1ccc2c1cccc2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737611021 598477213 /nfs/dbraw/zinc/47/72/13/598477213.db2.gz DUZSIWJPPRBHBI-UHFFFAOYSA-N -1 3 387.447 3.555 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737307846 598486265 /nfs/dbraw/zinc/48/62/65/598486265.db2.gz IFJAGUNHCZPOQP-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737307846 598486266 /nfs/dbraw/zinc/48/62/66/598486266.db2.gz IFJAGUNHCZPOQP-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735654861 598489035 /nfs/dbraw/zinc/48/90/35/598489035.db2.gz JYRDAVFAJCKADA-CMPLNLGQSA-N -1 3 384.406 3.730 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735654861 598489036 /nfs/dbraw/zinc/48/90/36/598489036.db2.gz JYRDAVFAJCKADA-CMPLNLGQSA-N -1 3 384.406 3.730 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735654862 598489070 /nfs/dbraw/zinc/48/90/70/598489070.db2.gz JYRDAVFAJCKADA-JQWIXIFHSA-N -1 3 384.406 3.730 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735654862 598489072 /nfs/dbraw/zinc/48/90/72/598489072.db2.gz JYRDAVFAJCKADA-JQWIXIFHSA-N -1 3 384.406 3.730 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735837645 598490698 /nfs/dbraw/zinc/49/06/98/598490698.db2.gz LDEHMNCKBJXXIM-UHFFFAOYSA-N -1 3 396.495 3.639 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735837645 598490700 /nfs/dbraw/zinc/49/07/00/598490700.db2.gz LDEHMNCKBJXXIM-UHFFFAOYSA-N -1 3 396.495 3.639 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738289612 598495447 /nfs/dbraw/zinc/49/54/47/598495447.db2.gz JVKLSCFASNLXQA-SFHVURJKSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738289612 598495448 /nfs/dbraw/zinc/49/54/48/598495448.db2.gz JVKLSCFASNLXQA-SFHVURJKSA-N -1 3 387.468 3.716 20 0 GHADHM Clc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2nnn[n-]2)c1 ZINC000737576339 598508578 /nfs/dbraw/zinc/50/85/78/598508578.db2.gz PTAIMMXMOAMTCI-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2nn[n-]n2)c1 ZINC000737576339 598508580 /nfs/dbraw/zinc/50/85/80/598508580.db2.gz PTAIMMXMOAMTCI-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000736675319 598515649 /nfs/dbraw/zinc/51/56/49/598515649.db2.gz KIRCVUXZKISYKR-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000736675319 598515651 /nfs/dbraw/zinc/51/56/51/598515651.db2.gz KIRCVUXZKISYKR-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cc(Cl)ccc2OC)c1-c1nnn[n-]1 ZINC000736674556 598517116 /nfs/dbraw/zinc/51/71/16/598517116.db2.gz DJLQGAGTTVKLAR-UHFFFAOYSA-N -1 3 391.884 3.642 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cc(Cl)ccc2OC)c1-c1nn[n-]n1 ZINC000736674556 598517118 /nfs/dbraw/zinc/51/71/18/598517118.db2.gz DJLQGAGTTVKLAR-UHFFFAOYSA-N -1 3 391.884 3.642 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736813334 598533306 /nfs/dbraw/zinc/53/33/06/598533306.db2.gz JMODKEUGLFEDOZ-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736813334 598533307 /nfs/dbraw/zinc/53/33/07/598533307.db2.gz JMODKEUGLFEDOZ-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736813347 598533566 /nfs/dbraw/zinc/53/35/66/598533566.db2.gz JMODKEUGLFEDOZ-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000736813347 598533567 /nfs/dbraw/zinc/53/35/67/598533567.db2.gz JMODKEUGLFEDOZ-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736169844 598537465 /nfs/dbraw/zinc/53/74/65/598537465.db2.gz PWCWDNBHUUDHDO-DIFFPNOSSA-N -1 3 384.823 3.518 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736325480 598537594 /nfs/dbraw/zinc/53/75/94/598537594.db2.gz KDECEVNPPSWXAV-CQSZACIVSA-N -1 3 396.520 3.839 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736325480 598537596 /nfs/dbraw/zinc/53/75/96/598537596.db2.gz KDECEVNPPSWXAV-CQSZACIVSA-N -1 3 396.520 3.839 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737327212 598538029 /nfs/dbraw/zinc/53/80/29/598538029.db2.gz XGQPHXRMTYJFNX-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(CCc1ccc(Cl)s1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737852115 598545963 /nfs/dbraw/zinc/54/59/63/598545963.db2.gz CEEDVKGEGSQEGB-UHFFFAOYSA-N -1 3 399.810 3.754 20 0 GHADHM O=C(CCc1ccc(Cl)s1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737852115 598545964 /nfs/dbraw/zinc/54/59/64/598545964.db2.gz CEEDVKGEGSQEGB-UHFFFAOYSA-N -1 3 399.810 3.754 20 0 GHADHM Cc1nc(Cl)cc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737479930 598551157 /nfs/dbraw/zinc/55/11/57/598551157.db2.gz FTNLVKCRDMDBDZ-UHFFFAOYSA-N -1 3 393.838 3.941 20 0 GHADHM Cc1nc(Cl)cc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737479930 598551159 /nfs/dbraw/zinc/55/11/59/598551159.db2.gz FTNLVKCRDMDBDZ-UHFFFAOYSA-N -1 3 393.838 3.941 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000736506080 598563579 /nfs/dbraw/zinc/56/35/79/598563579.db2.gz QMFIUMWZAWQZMG-OAHLLOKOSA-N -1 3 394.479 3.669 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000736506080 598563580 /nfs/dbraw/zinc/56/35/80/598563580.db2.gz QMFIUMWZAWQZMG-OAHLLOKOSA-N -1 3 394.479 3.669 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736369027 598565247 /nfs/dbraw/zinc/56/52/47/598565247.db2.gz JROFBUVUILELSN-KXBFYZLASA-N -1 3 378.480 3.667 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736369027 598565249 /nfs/dbraw/zinc/56/52/49/598565249.db2.gz JROFBUVUILELSN-KXBFYZLASA-N -1 3 378.480 3.667 20 0 GHADHM Cc1cc(C)cc(-n2ccnc2SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251230 598568109 /nfs/dbraw/zinc/56/81/09/598568109.db2.gz CQOHBJPBPRFIGD-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1cc(C)cc(-n2ccnc2SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251230 598568111 /nfs/dbraw/zinc/56/81/11/598568111.db2.gz CQOHBJPBPRFIGD-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1ccc(-c2nnc(SCC(=O)c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000737286977 598568871 /nfs/dbraw/zinc/56/88/71/598568871.db2.gz ARONFAIXUQBJLT-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM Cc1ccc(-c2nnc(SCC(=O)c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000737286977 598568872 /nfs/dbraw/zinc/56/88/72/598568872.db2.gz ARONFAIXUQBJLT-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738160844 598583977 /nfs/dbraw/zinc/58/39/77/598583977.db2.gz DEIIEGXNVVZTOU-SFHVURJKSA-N -1 3 381.411 3.645 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738160844 598583979 /nfs/dbraw/zinc/58/39/79/598583979.db2.gz DEIIEGXNVVZTOU-SFHVURJKSA-N -1 3 381.411 3.645 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OC1CCCC1 ZINC000737040588 598584201 /nfs/dbraw/zinc/58/42/01/598584201.db2.gz IHZJBCXHEDFFNW-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000737040588 598584202 /nfs/dbraw/zinc/58/42/02/598584202.db2.gz IHZJBCXHEDFFNW-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)c[nH]c21 ZINC000736695526 598585981 /nfs/dbraw/zinc/58/59/81/598585981.db2.gz MXKTUTOUQOMAKI-UHFFFAOYSA-N -1 3 392.488 3.642 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)c[nH]c21 ZINC000736695526 598585983 /nfs/dbraw/zinc/58/59/83/598585983.db2.gz MXKTUTOUQOMAKI-UHFFFAOYSA-N -1 3 392.488 3.642 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737852033 598587944 /nfs/dbraw/zinc/58/79/44/598587944.db2.gz ACPWJDQONODCEI-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737852033 598587946 /nfs/dbraw/zinc/58/79/46/598587946.db2.gz ACPWJDQONODCEI-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738040760 598588485 /nfs/dbraw/zinc/58/84/85/598588485.db2.gz SODKQTPYBUQFSO-UHFFFAOYSA-N -1 3 379.489 3.702 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738040760 598588486 /nfs/dbraw/zinc/58/84/86/598588486.db2.gz SODKQTPYBUQFSO-UHFFFAOYSA-N -1 3 379.489 3.702 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OCCC(C)C ZINC000737044006 598590478 /nfs/dbraw/zinc/59/04/78/598590478.db2.gz YWFFRABRCHYUKV-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OCCC(C)C ZINC000737044006 598590480 /nfs/dbraw/zinc/59/04/80/598590480.db2.gz YWFFRABRCHYUKV-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM CSCc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737187312 598601641 /nfs/dbraw/zinc/60/16/41/598601641.db2.gz PZGOJUUPIRJFKB-UHFFFAOYSA-N -1 3 394.504 3.926 20 0 GHADHM CSCc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737187312 598601642 /nfs/dbraw/zinc/60/16/42/598601642.db2.gz PZGOJUUPIRJFKB-UHFFFAOYSA-N -1 3 394.504 3.926 20 0 GHADHM c1cncc(-c2noc(-c3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)n2)c1 ZINC000738445329 598608940 /nfs/dbraw/zinc/60/89/40/598608940.db2.gz HLRRTZAXJNDBEH-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(CCCc2ccccc2)no1 ZINC000736167656 598610692 /nfs/dbraw/zinc/61/06/92/598610692.db2.gz GCCQMOPKEAOJPO-CQSZACIVSA-N -1 3 376.420 3.565 20 0 GHADHM COC(=O)c1sc2ccccc2c1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736957309 598612895 /nfs/dbraw/zinc/61/28/95/598612895.db2.gz PHURODHUPCXPBG-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM COC(=O)c1sc2ccccc2c1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736957309 598612897 /nfs/dbraw/zinc/61/28/97/598612897.db2.gz PHURODHUPCXPBG-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM O=C(NCc1ccccc1OC1CCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738123539 598630159 /nfs/dbraw/zinc/63/01/59/598630159.db2.gz FZZYBCRLIHESBR-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1ccccc1OC1CCCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738123539 598630161 /nfs/dbraw/zinc/63/01/61/598630161.db2.gz FZZYBCRLIHESBR-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM CC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736322972 598633547 /nfs/dbraw/zinc/63/35/47/598633547.db2.gz SJPQRPXCWLJCNZ-ZDUSSCGKSA-N -1 3 398.442 3.847 20 0 GHADHM CC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736322972 598633548 /nfs/dbraw/zinc/63/35/48/598633548.db2.gz SJPQRPXCWLJCNZ-ZDUSSCGKSA-N -1 3 398.442 3.847 20 0 GHADHM O=C(Nc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1)c1ccco1 ZINC000738158682 598637733 /nfs/dbraw/zinc/63/77/33/598637733.db2.gz HPNPPWIGWFHSIL-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(Nc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1)c1ccco1 ZINC000738158682 598637735 /nfs/dbraw/zinc/63/77/35/598637735.db2.gz HPNPPWIGWFHSIL-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738190387 598643832 /nfs/dbraw/zinc/64/38/32/598643832.db2.gz DYEPTUAIUZPTDL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738190387 598643834 /nfs/dbraw/zinc/64/38/34/598643834.db2.gz DYEPTUAIUZPTDL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cc1ccc(Cl)c(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000737343708 598646302 /nfs/dbraw/zinc/64/63/02/598646302.db2.gz UJBBDJLQRONYGZ-UHFFFAOYSA-N -1 3 393.303 3.969 20 0 GHADHM Cc1ccc(Cl)c(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000737343708 598646304 /nfs/dbraw/zinc/64/63/04/598646304.db2.gz UJBBDJLQRONYGZ-UHFFFAOYSA-N -1 3 393.303 3.969 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737143332 598647130 /nfs/dbraw/zinc/64/71/30/598647130.db2.gz ULCPCULOWFUEPY-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737143332 598647132 /nfs/dbraw/zinc/64/71/32/598647132.db2.gz ULCPCULOWFUEPY-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736267720 598647141 /nfs/dbraw/zinc/64/71/41/598647141.db2.gz CHVRNVOSAIZACK-IFXJQAMLSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736267720 598647142 /nfs/dbraw/zinc/64/71/42/598647142.db2.gz CHVRNVOSAIZACK-IFXJQAMLSA-N -1 3 377.448 3.968 20 0 GHADHM Cc1csc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737452846 598648032 /nfs/dbraw/zinc/64/80/32/598648032.db2.gz ODULTPWQODJDOY-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nc2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000737489484 598648121 /nfs/dbraw/zinc/64/81/21/598648121.db2.gz YDWZYBZUMSQNQT-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM Cc1nc2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000737489484 598648123 /nfs/dbraw/zinc/64/81/23/598648123.db2.gz YDWZYBZUMSQNQT-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737023110 598648815 /nfs/dbraw/zinc/64/88/15/598648815.db2.gz BBUAIMJNELMVIO-CYBMUJFWSA-N -1 3 392.337 3.517 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737023110 598648816 /nfs/dbraw/zinc/64/88/16/598648816.db2.gz BBUAIMJNELMVIO-CYBMUJFWSA-N -1 3 392.337 3.517 20 0 GHADHM Cc1cccc2sc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)nc21 ZINC000737416613 598649221 /nfs/dbraw/zinc/64/92/21/598649221.db2.gz DJMOZPRQRNYEBM-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM Cc1cccc2sc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000737416613 598649224 /nfs/dbraw/zinc/64/92/24/598649224.db2.gz DJMOZPRQRNYEBM-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736244288 598649502 /nfs/dbraw/zinc/64/95/02/598649502.db2.gz GFKUDTCTHGFMQC-BDQBCWGISA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736244288 598649504 /nfs/dbraw/zinc/64/95/04/598649504.db2.gz GFKUDTCTHGFMQC-BDQBCWGISA-N -1 3 392.463 3.609 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736361705 598650295 /nfs/dbraw/zinc/65/02/95/598650295.db2.gz GIVRWJOXYDGJAV-INIZCTEOSA-N -1 3 387.896 3.880 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736361705 598650296 /nfs/dbraw/zinc/65/02/96/598650296.db2.gz GIVRWJOXYDGJAV-INIZCTEOSA-N -1 3 387.896 3.880 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000736813614 598652553 /nfs/dbraw/zinc/65/25/53/598652553.db2.gz LKEMNNVSSRPIEG-MRXNPFEDSA-N -1 3 389.381 3.561 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000736813614 598652555 /nfs/dbraw/zinc/65/25/55/598652555.db2.gz LKEMNNVSSRPIEG-MRXNPFEDSA-N -1 3 389.381 3.561 20 0 GHADHM COc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737109923 598653476 /nfs/dbraw/zinc/65/34/76/598653476.db2.gz PJZZVTMZAWXGRP-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM COc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737109923 598653478 /nfs/dbraw/zinc/65/34/78/598653478.db2.gz PJZZVTMZAWXGRP-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737209063 598655711 /nfs/dbraw/zinc/65/57/11/598655711.db2.gz JDCROBHMQQFLJY-CYBMUJFWSA-N -1 3 393.472 3.891 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737209063 598655713 /nfs/dbraw/zinc/65/57/13/598655713.db2.gz JDCROBHMQQFLJY-CYBMUJFWSA-N -1 3 393.472 3.891 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737798797 598660461 /nfs/dbraw/zinc/66/04/61/598660461.db2.gz VEAYFSXFMGAURW-QHHAFSJGSA-N -1 3 394.744 3.586 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737798797 598660462 /nfs/dbraw/zinc/66/04/62/598660462.db2.gz VEAYFSXFMGAURW-QHHAFSJGSA-N -1 3 394.744 3.586 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737388750 598696657 /nfs/dbraw/zinc/69/66/57/598696657.db2.gz FDXWHQCPVUBSJG-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737388750 598696659 /nfs/dbraw/zinc/69/66/59/598696659.db2.gz FDXWHQCPVUBSJG-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM CCN(C(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736503002 598696936 /nfs/dbraw/zinc/69/69/36/598696936.db2.gz RWJQTDHMSMYXMI-ZDUSSCGKSA-N -1 3 391.516 3.809 20 0 GHADHM CCN(C(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736503002 598696937 /nfs/dbraw/zinc/69/69/37/598696937.db2.gz RWJQTDHMSMYXMI-ZDUSSCGKSA-N -1 3 391.516 3.809 20 0 GHADHM Cc1ccc(-c2noc(CSCc3ccc(F)cc3-c3nnn[n-]3)n2)cc1 ZINC000737304409 598696968 /nfs/dbraw/zinc/69/69/68/598696968.db2.gz ZKPYSIURMFKSIC-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(-c2noc(CSCc3ccc(F)cc3-c3nn[n-]n3)n2)cc1 ZINC000737304409 598696970 /nfs/dbraw/zinc/69/69/70/598696970.db2.gz ZKPYSIURMFKSIC-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000736194314 598697990 /nfs/dbraw/zinc/69/79/90/598697990.db2.gz ZTVSVDGMNWZNCH-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000736194314 598697992 /nfs/dbraw/zinc/69/79/92/598697992.db2.gz ZTVSVDGMNWZNCH-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(F)cc1Cl ZINC000737936198 598698471 /nfs/dbraw/zinc/69/84/71/598698471.db2.gz MLUJBFQFZIOPOJ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(F)cc1Cl ZINC000737936198 598698472 /nfs/dbraw/zinc/69/84/72/598698472.db2.gz MLUJBFQFZIOPOJ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737835167 598711572 /nfs/dbraw/zinc/71/15/72/598711572.db2.gz FBSOCRJVMJGKHR-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737835167 598711574 /nfs/dbraw/zinc/71/15/74/598711574.db2.gz FBSOCRJVMJGKHR-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736321657 598727539 /nfs/dbraw/zinc/72/75/39/598727539.db2.gz FQDBUOGKLAQOIL-CYBMUJFWSA-N -1 3 381.440 3.564 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736321657 598727540 /nfs/dbraw/zinc/72/75/40/598727540.db2.gz FQDBUOGKLAQOIL-CYBMUJFWSA-N -1 3 381.440 3.564 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737074652 598729369 /nfs/dbraw/zinc/72/93/69/598729369.db2.gz JNKQGOHIPHZTNV-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737074652 598729371 /nfs/dbraw/zinc/72/93/71/598729371.db2.gz JNKQGOHIPHZTNV-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM Cc1ccccc1CCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737425873 598736845 /nfs/dbraw/zinc/73/68/45/598736845.db2.gz FUBHFBRCUXOAEE-UHFFFAOYSA-N -1 3 387.443 3.934 20 0 GHADHM Cc1ccccc1CCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737425873 598736846 /nfs/dbraw/zinc/73/68/46/598736846.db2.gz FUBHFBRCUXOAEE-UHFFFAOYSA-N -1 3 387.443 3.934 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000736672140 598741773 /nfs/dbraw/zinc/74/17/73/598741773.db2.gz ZNHRIMDFDHTRSP-CYBMUJFWSA-N -1 3 381.505 3.933 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000736672140 598741774 /nfs/dbraw/zinc/74/17/74/598741774.db2.gz ZNHRIMDFDHTRSP-CYBMUJFWSA-N -1 3 381.505 3.933 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736667406 598745712 /nfs/dbraw/zinc/74/57/12/598745712.db2.gz PMFLWDCQRZOVPX-KBPBESRZSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000735659474 598757465 /nfs/dbraw/zinc/75/74/65/598757465.db2.gz AFHYYVUIZWGBDQ-UHFFFAOYSA-N -1 3 399.886 3.887 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000735659474 598757467 /nfs/dbraw/zinc/75/74/67/598757467.db2.gz AFHYYVUIZWGBDQ-UHFFFAOYSA-N -1 3 399.886 3.887 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736212436 598768721 /nfs/dbraw/zinc/76/87/21/598768721.db2.gz YZFGINACZNKMAJ-INIZCTEOSA-N -1 3 393.516 3.935 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736212436 598768723 /nfs/dbraw/zinc/76/87/23/598768723.db2.gz YZFGINACZNKMAJ-INIZCTEOSA-N -1 3 393.516 3.935 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826234587 607366824 /nfs/dbraw/zinc/36/68/24/607366824.db2.gz DQBXTKQIQUSJLT-UHFFFAOYSA-N -1 3 396.403 3.569 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826234587 607366826 /nfs/dbraw/zinc/36/68/26/607366826.db2.gz DQBXTKQIQUSJLT-UHFFFAOYSA-N -1 3 396.403 3.569 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccco1)C(C)C ZINC000735906210 598781422 /nfs/dbraw/zinc/78/14/22/598781422.db2.gz PTDRFRCSCXRFOQ-UHFFFAOYSA-N -1 3 384.440 3.689 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccco1)C(C)C ZINC000735906210 598781423 /nfs/dbraw/zinc/78/14/23/598781423.db2.gz PTDRFRCSCXRFOQ-UHFFFAOYSA-N -1 3 384.440 3.689 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000736501255 598781913 /nfs/dbraw/zinc/78/19/13/598781913.db2.gz BSGDWKUQLIJAOL-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000736501255 598781914 /nfs/dbraw/zinc/78/19/14/598781914.db2.gz BSGDWKUQLIJAOL-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000736666711 598782016 /nfs/dbraw/zinc/78/20/16/598782016.db2.gz MSVMXXDEUBEWNM-GFCCVEGCSA-N -1 3 398.492 3.870 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000736666711 598782018 /nfs/dbraw/zinc/78/20/18/598782018.db2.gz MSVMXXDEUBEWNM-GFCCVEGCSA-N -1 3 398.492 3.870 20 0 GHADHM Cc1cc2cc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)ccc2[nH]1 ZINC000737285246 598782425 /nfs/dbraw/zinc/78/24/25/598782425.db2.gz QAPGZZBXXUFRPA-UHFFFAOYSA-N -1 3 387.447 3.853 20 0 GHADHM Cc1cc2cc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)ccc2[nH]1 ZINC000737285246 598782426 /nfs/dbraw/zinc/78/24/26/598782426.db2.gz QAPGZZBXXUFRPA-UHFFFAOYSA-N -1 3 387.447 3.853 20 0 GHADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737511806 598787951 /nfs/dbraw/zinc/78/79/51/598787951.db2.gz OYPFVYCWWPPLOY-CYBMUJFWSA-N -1 3 378.267 3.557 20 0 GHADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737511806 598787953 /nfs/dbraw/zinc/78/79/53/598787953.db2.gz OYPFVYCWWPPLOY-CYBMUJFWSA-N -1 3 378.267 3.557 20 0 GHADHM Cc1cccc2c1CCN(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737409169 598788730 /nfs/dbraw/zinc/78/87/30/598788730.db2.gz NOPCBIRELLOUQV-UHFFFAOYSA-N -1 3 384.896 3.584 20 0 GHADHM Cc1cccc2c1CCN(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737409169 598788731 /nfs/dbraw/zinc/78/87/31/598788731.db2.gz NOPCBIRELLOUQV-UHFFFAOYSA-N -1 3 384.896 3.584 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1coc2ccccc12 ZINC000738207373 598822343 /nfs/dbraw/zinc/82/23/43/598822343.db2.gz AWCBLUNTUPQBOB-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1coc2ccccc12 ZINC000738207373 598822344 /nfs/dbraw/zinc/82/23/44/598822344.db2.gz AWCBLUNTUPQBOB-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@H]1c1ccco1 ZINC000823303596 599293101 /nfs/dbraw/zinc/29/31/01/599293101.db2.gz NZVXRZOKGBKEIM-ZDUSSCGKSA-N -1 3 392.341 3.848 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@H]1c1ccco1 ZINC000823303596 599293103 /nfs/dbraw/zinc/29/31/03/599293103.db2.gz NZVXRZOKGBKEIM-ZDUSSCGKSA-N -1 3 392.341 3.848 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1coc(-c2ccccc2)n1 ZINC000821751760 607367859 /nfs/dbraw/zinc/36/78/59/607367859.db2.gz BNNGNAOJLGEIAK-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739023 599306826 /nfs/dbraw/zinc/30/68/26/599306826.db2.gz GYZHSIONXOZHCK-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739023 599306829 /nfs/dbraw/zinc/30/68/29/599306829.db2.gz GYZHSIONXOZHCK-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822116629 599314509 /nfs/dbraw/zinc/31/45/09/599314509.db2.gz VLLKIXCKOUBTJH-MRXNPFEDSA-N -1 3 392.507 3.904 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822116629 599314512 /nfs/dbraw/zinc/31/45/12/599314512.db2.gz VLLKIXCKOUBTJH-MRXNPFEDSA-N -1 3 392.507 3.904 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140337 599324680 /nfs/dbraw/zinc/32/46/80/599324680.db2.gz UGPFIZLDYGNXQH-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140337 599324682 /nfs/dbraw/zinc/32/46/82/599324682.db2.gz UGPFIZLDYGNXQH-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737270787 599327020 /nfs/dbraw/zinc/32/70/20/599327020.db2.gz HJJQYQPWNIGVFT-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737270787 599327023 /nfs/dbraw/zinc/32/70/23/599327023.db2.gz HJJQYQPWNIGVFT-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187440 599327289 /nfs/dbraw/zinc/32/72/89/599327289.db2.gz ASSMVOLHUUPASX-CABCVRRESA-N -1 3 393.516 3.634 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187440 599327291 /nfs/dbraw/zinc/32/72/91/599327291.db2.gz ASSMVOLHUUPASX-CABCVRRESA-N -1 3 393.516 3.634 20 0 GHADHM C[C@@H](SCC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187980 599330120 /nfs/dbraw/zinc/33/01/20/599330120.db2.gz FUGXSRVZAGJELA-LLVKDONJSA-N -1 3 386.481 3.585 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000737472270 599340898 /nfs/dbraw/zinc/34/08/98/599340898.db2.gz YIBWFUNXRXVTNU-NSHDSACASA-N -1 3 379.449 3.782 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)N(Cc1ccco1)c1ccccc1 ZINC000823070816 599347765 /nfs/dbraw/zinc/34/77/65/599347765.db2.gz PKXIPMHKCFATTC-UHFFFAOYSA-N -1 3 391.456 3.785 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)N(Cc1ccco1)c1ccccc1 ZINC000823070816 599347768 /nfs/dbraw/zinc/34/77/68/599347768.db2.gz PKXIPMHKCFATTC-UHFFFAOYSA-N -1 3 391.456 3.785 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555318 599349907 /nfs/dbraw/zinc/34/99/07/599349907.db2.gz JBTKQAPVLFZSOG-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555318 599349910 /nfs/dbraw/zinc/34/99/10/599349910.db2.gz JBTKQAPVLFZSOG-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000820555098 599350188 /nfs/dbraw/zinc/35/01/88/599350188.db2.gz GCZBLGWKDMENDM-OLZOCXBDSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000820555098 599350190 /nfs/dbraw/zinc/35/01/90/599350190.db2.gz GCZBLGWKDMENDM-OLZOCXBDSA-N -1 3 393.472 3.971 20 0 GHADHM CSCCCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000737184289 599372331 /nfs/dbraw/zinc/37/23/31/599372331.db2.gz WZAGYPRJPRCBMG-UHFFFAOYSA-N -1 3 399.495 3.991 20 0 GHADHM CSCCCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000737184289 599372334 /nfs/dbraw/zinc/37/23/34/599372334.db2.gz WZAGYPRJPRCBMG-UHFFFAOYSA-N -1 3 399.495 3.991 20 0 GHADHM CSCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737182211 599373890 /nfs/dbraw/zinc/37/38/90/599373890.db2.gz QBDRBMXENWGARM-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM CSCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737182211 599373893 /nfs/dbraw/zinc/37/38/93/599373893.db2.gz QBDRBMXENWGARM-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000738019639 599381132 /nfs/dbraw/zinc/38/11/32/599381132.db2.gz KSHQKTVASHTSCI-CQSZACIVSA-N -1 3 377.473 3.856 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000738019639 599381135 /nfs/dbraw/zinc/38/11/35/599381135.db2.gz KSHQKTVASHTSCI-CQSZACIVSA-N -1 3 377.473 3.856 20 0 GHADHM CCCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OCCC ZINC000821133629 599393354 /nfs/dbraw/zinc/39/33/54/599393354.db2.gz BZPAXETUKJIYMC-CQSZACIVSA-N -1 3 385.468 3.888 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357969 599400590 /nfs/dbraw/zinc/40/05/90/599400590.db2.gz LANAZZTUZMGICS-MEDUHNTESA-N -1 3 398.467 3.603 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357969 599400594 /nfs/dbraw/zinc/40/05/94/599400594.db2.gz LANAZZTUZMGICS-MEDUHNTESA-N -1 3 398.467 3.603 20 0 GHADHM CCCCCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821060638 599406289 /nfs/dbraw/zinc/40/62/89/599406289.db2.gz GEAXGZOEOGRCEB-CQSZACIVSA-N -1 3 385.468 3.888 20 0 GHADHM C[C@@H](NC(=O)NCc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820374824 599408543 /nfs/dbraw/zinc/40/85/43/599408543.db2.gz QONFENFZPJQBID-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820374824 599408547 /nfs/dbraw/zinc/40/85/47/599408547.db2.gz QONFENFZPJQBID-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000823772647 599435630 /nfs/dbraw/zinc/43/56/30/599435630.db2.gz LIQSGHHDXNCXHK-NRFANRHFSA-N -1 3 387.443 3.664 20 0 GHADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000823772647 599435632 /nfs/dbraw/zinc/43/56/32/599435632.db2.gz LIQSGHHDXNCXHK-NRFANRHFSA-N -1 3 387.443 3.664 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822350220 599440034 /nfs/dbraw/zinc/44/00/34/599440034.db2.gz BFWOJWQJSPPHRQ-KXBFYZLASA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822350220 599440037 /nfs/dbraw/zinc/44/00/37/599440037.db2.gz BFWOJWQJSPPHRQ-KXBFYZLASA-N -1 3 378.480 3.933 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n[nH]1 ZINC000821016036 599446284 /nfs/dbraw/zinc/44/62/84/599446284.db2.gz UYUILPDWDNMRBI-FZKQIMNGSA-N -1 3 397.483 3.536 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n[nH]1 ZINC000821016036 599446285 /nfs/dbraw/zinc/44/62/85/599446285.db2.gz UYUILPDWDNMRBI-FZKQIMNGSA-N -1 3 397.483 3.536 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820561942 599460538 /nfs/dbraw/zinc/46/05/38/599460538.db2.gz BWKQPHKZVUDBMX-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820561942 599460539 /nfs/dbraw/zinc/46/05/39/599460539.db2.gz BWKQPHKZVUDBMX-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C2CCCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341248 599472968 /nfs/dbraw/zinc/47/29/68/599472968.db2.gz PDAOUOQCOFIWPE-OAHLLOKOSA-N -1 3 382.512 3.930 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C2CCCCC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341248 599472971 /nfs/dbraw/zinc/47/29/71/599472971.db2.gz PDAOUOQCOFIWPE-OAHLLOKOSA-N -1 3 382.512 3.930 20 0 GHADHM CC(C)[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820353106 599474332 /nfs/dbraw/zinc/47/43/32/599474332.db2.gz YDUNGGCIMXWCAR-ACJLOTCBSA-N -1 3 382.443 3.763 20 0 GHADHM CC(C)[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820353106 599474335 /nfs/dbraw/zinc/47/43/35/599474335.db2.gz YDUNGGCIMXWCAR-ACJLOTCBSA-N -1 3 382.443 3.763 20 0 GHADHM CCO[C@@H](C)c1nc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cs1 ZINC000736612658 599474980 /nfs/dbraw/zinc/47/49/80/599474980.db2.gz BVGBUENWDMWNPS-VIFPVBQESA-N -1 3 395.872 3.662 20 0 GHADHM CCO[C@@H](C)c1nc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cs1 ZINC000736612658 599474981 /nfs/dbraw/zinc/47/49/81/599474981.db2.gz BVGBUENWDMWNPS-VIFPVBQESA-N -1 3 395.872 3.662 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820668607 599476698 /nfs/dbraw/zinc/47/66/98/599476698.db2.gz VFTIRBBNEWEMFB-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820668607 599476699 /nfs/dbraw/zinc/47/66/99/599476699.db2.gz VFTIRBBNEWEMFB-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820374289 599481317 /nfs/dbraw/zinc/48/13/17/599481317.db2.gz NTFCXUWQEOYOPJ-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820374289 599481319 /nfs/dbraw/zinc/48/13/19/599481319.db2.gz NTFCXUWQEOYOPJ-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC000822208547 599495456 /nfs/dbraw/zinc/49/54/56/599495456.db2.gz XGTVTIJPWHFMCD-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822208547 599495459 /nfs/dbraw/zinc/49/54/59/599495459.db2.gz XGTVTIJPWHFMCD-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737178165 599501627 /nfs/dbraw/zinc/50/16/27/599501627.db2.gz XXKUTDPBIOCCCM-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737178165 599501629 /nfs/dbraw/zinc/50/16/29/599501629.db2.gz XXKUTDPBIOCCCM-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000737290780 599503072 /nfs/dbraw/zinc/50/30/72/599503072.db2.gz GDIKAZFYTWMXMY-XJKSGUPXSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000737290780 599503075 /nfs/dbraw/zinc/50/30/75/599503075.db2.gz GDIKAZFYTWMXMY-XJKSGUPXSA-N -1 3 380.427 3.724 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736116209 599503913 /nfs/dbraw/zinc/50/39/13/599503913.db2.gz LMKIRXUPCFCKHL-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736116209 599503916 /nfs/dbraw/zinc/50/39/16/599503916.db2.gz LMKIRXUPCFCKHL-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)C1(c2ccccc2F)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322432 599508664 /nfs/dbraw/zinc/50/86/64/599508664.db2.gz SOEDUVONIRZYDZ-AWEZNQCLSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@H](NC(=O)C1(c2ccccc2F)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322432 599508666 /nfs/dbraw/zinc/50/86/66/599508666.db2.gz SOEDUVONIRZYDZ-AWEZNQCLSA-N -1 3 379.439 3.695 20 0 GHADHM CCN(c1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821230463 599517356 /nfs/dbraw/zinc/51/73/56/599517356.db2.gz KWGZRQCXABNOKP-OAHLLOKOSA-N -1 3 378.480 3.592 20 0 GHADHM CCN(c1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821230463 599517358 /nfs/dbraw/zinc/51/73/58/599517358.db2.gz KWGZRQCXABNOKP-OAHLLOKOSA-N -1 3 378.480 3.592 20 0 GHADHM COc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1OC ZINC000737130600 599520874 /nfs/dbraw/zinc/52/08/74/599520874.db2.gz HYEXNQOQERUPIA-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM Fc1ccc([C@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000822766835 599521934 /nfs/dbraw/zinc/52/19/34/599521934.db2.gz OODKASROAMFTRY-OAHLLOKOSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000822766835 599521935 /nfs/dbraw/zinc/52/19/35/599521935.db2.gz OODKASROAMFTRY-OAHLLOKOSA-N -1 3 394.237 3.891 20 0 GHADHM COc1ccc2c(c1)CCCN(c1c(-c3nnn[n-]3)cnc3c(C)cccc31)C2 ZINC000821849788 599523707 /nfs/dbraw/zinc/52/37/07/599523707.db2.gz QPIWCQHKEXQAPE-UHFFFAOYSA-N -1 3 386.459 3.685 20 0 GHADHM COc1ccc2c(c1)CCCN(c1c(-c3nn[n-]n3)cnc3c(C)cccc31)C2 ZINC000821849788 599523710 /nfs/dbraw/zinc/52/37/10/599523710.db2.gz QPIWCQHKEXQAPE-UHFFFAOYSA-N -1 3 386.459 3.685 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737333928 599531481 /nfs/dbraw/zinc/53/14/81/599531481.db2.gz CFMHSZABWZKXBN-LBPRGKRZSA-N -1 3 376.386 3.656 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737333928 599531483 /nfs/dbraw/zinc/53/14/83/599531483.db2.gz CFMHSZABWZKXBN-LBPRGKRZSA-N -1 3 376.386 3.656 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736281190 599539219 /nfs/dbraw/zinc/53/92/19/599539219.db2.gz TUGDEDVZRIJWRM-INIZCTEOSA-N -1 3 391.475 3.784 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736281190 599539224 /nfs/dbraw/zinc/53/92/24/599539224.db2.gz TUGDEDVZRIJWRM-INIZCTEOSA-N -1 3 391.475 3.784 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736058750 599539359 /nfs/dbraw/zinc/53/93/59/599539359.db2.gz OWHVBMQPHJBCOR-SECBINFHSA-N -1 3 381.383 3.764 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736058750 599539361 /nfs/dbraw/zinc/53/93/61/599539361.db2.gz OWHVBMQPHJBCOR-SECBINFHSA-N -1 3 381.383 3.764 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735511943 599541075 /nfs/dbraw/zinc/54/10/75/599541075.db2.gz IKDBUZPPVCZSPT-ZDUSSCGKSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735511943 599541078 /nfs/dbraw/zinc/54/10/78/599541078.db2.gz IKDBUZPPVCZSPT-ZDUSSCGKSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccsc1 ZINC000735570919 599541329 /nfs/dbraw/zinc/54/13/29/599541329.db2.gz PTLZKVQQTKNTHA-LLVKDONJSA-N -1 3 396.501 3.718 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccsc1 ZINC000735570919 599541331 /nfs/dbraw/zinc/54/13/31/599541331.db2.gz PTLZKVQQTKNTHA-LLVKDONJSA-N -1 3 396.501 3.718 20 0 GHADHM C[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735977905 599541437 /nfs/dbraw/zinc/54/14/37/599541437.db2.gz WSQRNOOJQLJFGQ-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735977905 599541439 /nfs/dbraw/zinc/54/14/39/599541439.db2.gz WSQRNOOJQLJFGQ-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(-c2ccccc2)n1 ZINC000735906739 599544237 /nfs/dbraw/zinc/54/42/37/599544237.db2.gz VGMNNNFKNIVEIG-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM COc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1OC1CCCC1 ZINC000821868372 599558704 /nfs/dbraw/zinc/55/87/04/599558704.db2.gz PSTVFWMQHLRCII-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM COc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1OC1CCCC1 ZINC000821868372 599558707 /nfs/dbraw/zinc/55/87/07/599558707.db2.gz PSTVFWMQHLRCII-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000737331759 599561183 /nfs/dbraw/zinc/56/11/83/599561183.db2.gz RMRDRIQJNYHAOZ-WBVHZDCISA-N -1 3 395.463 3.679 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000737331759 599561185 /nfs/dbraw/zinc/56/11/85/599561185.db2.gz RMRDRIQJNYHAOZ-WBVHZDCISA-N -1 3 395.463 3.679 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CCc2ccccc2C1 ZINC000738273414 599563711 /nfs/dbraw/zinc/56/37/11/599563711.db2.gz JSUXYRWYLNEVGT-UHFFFAOYSA-N -1 3 396.454 3.809 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000819940353 599565776 /nfs/dbraw/zinc/56/57/76/599565776.db2.gz YHRURCKBQYGJBX-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000819940353 599565777 /nfs/dbraw/zinc/56/57/77/599565777.db2.gz YHRURCKBQYGJBX-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2c(Cl)cccc2C1 ZINC000822337256 599566509 /nfs/dbraw/zinc/56/65/09/599566509.db2.gz WLEIFZKXPJLELD-UHFFFAOYSA-N -1 3 376.851 3.939 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2c(Cl)cccc2C1 ZINC000822337256 599566511 /nfs/dbraw/zinc/56/65/11/599566511.db2.gz WLEIFZKXPJLELD-UHFFFAOYSA-N -1 3 376.851 3.939 20 0 GHADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738278471 599575160 /nfs/dbraw/zinc/57/51/60/599575160.db2.gz LEZQNTLOTRRNGZ-XJKSGUPXSA-N -1 3 395.850 3.937 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000736638068 599610160 /nfs/dbraw/zinc/61/01/60/599610160.db2.gz XNJPILADBADFSW-LBPRGKRZSA-N -1 3 396.426 3.556 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000736638068 599610161 /nfs/dbraw/zinc/61/01/61/599610161.db2.gz XNJPILADBADFSW-LBPRGKRZSA-N -1 3 396.426 3.556 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737333090 599612308 /nfs/dbraw/zinc/61/23/08/599612308.db2.gz ZPXZWMNQMSQMCT-QGZVFWFLSA-N -1 3 380.452 3.595 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737333090 599612310 /nfs/dbraw/zinc/61/23/10/599612310.db2.gz ZPXZWMNQMSQMCT-QGZVFWFLSA-N -1 3 380.452 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000823303944 599633357 /nfs/dbraw/zinc/63/33/57/599633357.db2.gz ZRANCPOAXRRATL-UHFFFAOYSA-N -1 3 390.350 3.748 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000823303944 599633358 /nfs/dbraw/zinc/63/33/58/599633358.db2.gz ZRANCPOAXRRATL-UHFFFAOYSA-N -1 3 390.350 3.748 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(Cl)c1 ZINC000821772629 599633853 /nfs/dbraw/zinc/63/38/53/599633853.db2.gz JAJJARVZYUXWKD-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(Cl)c1 ZINC000821772629 599633854 /nfs/dbraw/zinc/63/38/54/599633854.db2.gz JAJJARVZYUXWKD-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000823303625 599635047 /nfs/dbraw/zinc/63/50/47/599635047.db2.gz PCANPRZSCVWRDF-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000823303625 599635048 /nfs/dbraw/zinc/63/50/48/599635048.db2.gz PCANPRZSCVWRDF-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM Cc1ccccc1-c1cnc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822340719 599652069 /nfs/dbraw/zinc/65/20/69/599652069.db2.gz DRCJXPNVRIDONY-KHPPLWFESA-N -1 3 387.399 3.587 20 0 GHADHM Cc1ccccc1-c1cnc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822340719 599652070 /nfs/dbraw/zinc/65/20/70/599652070.db2.gz DRCJXPNVRIDONY-KHPPLWFESA-N -1 3 387.399 3.587 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820902781 599661373 /nfs/dbraw/zinc/66/13/73/599661373.db2.gz NOMMNZPQHDZYOA-AWEZNQCLSA-N -1 3 396.451 3.566 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820902781 599661374 /nfs/dbraw/zinc/66/13/74/599661374.db2.gz NOMMNZPQHDZYOA-AWEZNQCLSA-N -1 3 396.451 3.566 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822233787 599670724 /nfs/dbraw/zinc/67/07/24/599670724.db2.gz VBFBMHGWQWUMPM-YOEHRIQHSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233787 599670725 /nfs/dbraw/zinc/67/07/25/599670725.db2.gz VBFBMHGWQWUMPM-YOEHRIQHSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c2)cs1 ZINC000822418641 599671500 /nfs/dbraw/zinc/67/15/00/599671500.db2.gz BEFCWRCPILTXQD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c2)cs1 ZINC000822418641 599671501 /nfs/dbraw/zinc/67/15/01/599671501.db2.gz BEFCWRCPILTXQD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1ccncc1 ZINC000820919501 599675584 /nfs/dbraw/zinc/67/55/84/599675584.db2.gz DQEUESYBBJEAAR-LJQANCHMSA-N -1 3 393.495 3.581 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1ccncc1 ZINC000820919501 599675585 /nfs/dbraw/zinc/67/55/85/599675585.db2.gz DQEUESYBBJEAAR-LJQANCHMSA-N -1 3 393.495 3.581 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339977 599682000 /nfs/dbraw/zinc/68/20/00/599682000.db2.gz IGAKLIKCXNLRKV-CVEARBPZSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339977 599682001 /nfs/dbraw/zinc/68/20/01/599682001.db2.gz IGAKLIKCXNLRKV-CVEARBPZSA-N -1 3 390.491 3.938 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCc2c[nH]c3cc(C)ccc23)s1 ZINC000821465663 599689706 /nfs/dbraw/zinc/68/97/06/599689706.db2.gz NBULGUKZURZNTL-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCc2c[nH]c3cc(C)ccc23)s1 ZINC000821465663 599689707 /nfs/dbraw/zinc/68/97/07/599689707.db2.gz NBULGUKZURZNTL-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274774 599690068 /nfs/dbraw/zinc/69/00/68/599690068.db2.gz IWSDNLDCRDYRFJ-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274774 599690069 /nfs/dbraw/zinc/69/00/69/599690069.db2.gz IWSDNLDCRDYRFJ-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822959132 599693053 /nfs/dbraw/zinc/69/30/53/599693053.db2.gz SWOSCHFRCKIWTM-UHFFFAOYSA-N -1 3 393.266 3.619 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822959132 599693054 /nfs/dbraw/zinc/69/30/54/599693054.db2.gz SWOSCHFRCKIWTM-UHFFFAOYSA-N -1 3 393.266 3.619 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1-c1nnn[n-]1 ZINC000820170156 607398992 /nfs/dbraw/zinc/39/89/92/607398992.db2.gz SOKGRTUEGTZNCN-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1-c1nn[n-]n1 ZINC000820170156 607398994 /nfs/dbraw/zinc/39/89/94/607398994.db2.gz SOKGRTUEGTZNCN-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000738598734 599828611 /nfs/dbraw/zinc/82/86/11/599828611.db2.gz KJDNKAIJXQLPMJ-FQEVSTJZSA-N -1 3 381.476 3.662 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738707651 599829967 /nfs/dbraw/zinc/82/99/67/599829967.db2.gz BITPEAQVFJMPJV-UHFFFAOYSA-N -1 3 383.492 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000820170259 607398867 /nfs/dbraw/zinc/39/88/67/607398867.db2.gz VZNBCOAAUHNIBT-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000820170259 607398869 /nfs/dbraw/zinc/39/88/69/607398869.db2.gz VZNBCOAAUHNIBT-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM O=C([O-])N1CCC[C@@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000739484708 599860357 /nfs/dbraw/zinc/86/03/57/599860357.db2.gz ZQMCNOLTAJTVMX-GOSISDBHSA-N -1 3 387.867 3.824 20 0 GHADHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020665 607407748 /nfs/dbraw/zinc/40/77/48/607407748.db2.gz GJYSGTBELQMMSE-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020665 607407751 /nfs/dbraw/zinc/40/77/51/607407751.db2.gz GJYSGTBELQMMSE-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(Cl)sc1Cl ZINC000821745425 607412381 /nfs/dbraw/zinc/41/23/81/607412381.db2.gz VTEQBRXIYNWKRG-UHFFFAOYSA-N -1 3 385.232 3.601 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(Cl)sc1Cl ZINC000821745425 607412382 /nfs/dbraw/zinc/41/23/82/607412382.db2.gz VTEQBRXIYNWKRG-UHFFFAOYSA-N -1 3 385.232 3.601 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347765 607415293 /nfs/dbraw/zinc/41/52/93/607415293.db2.gz NCIOUWMDMHCQFS-PMACEKPBSA-N -1 3 387.487 3.899 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347765 607415294 /nfs/dbraw/zinc/41/52/94/607415294.db2.gz NCIOUWMDMHCQFS-PMACEKPBSA-N -1 3 387.487 3.899 20 0 GHADHM Cc1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826287067 607415903 /nfs/dbraw/zinc/41/59/03/607415903.db2.gz BJGQROGKUZAJNV-UHFFFAOYSA-N -1 3 381.867 3.567 20 0 GHADHM Cc1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000826287067 607415904 /nfs/dbraw/zinc/41/59/04/607415904.db2.gz BJGQROGKUZAJNV-UHFFFAOYSA-N -1 3 381.867 3.567 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000820164189 607425381 /nfs/dbraw/zinc/42/53/81/607425381.db2.gz GTOBMSPNWQHQQV-UHFFFAOYSA-N -1 3 392.463 3.722 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000820164189 607425382 /nfs/dbraw/zinc/42/53/82/607425382.db2.gz GTOBMSPNWQHQQV-UHFFFAOYSA-N -1 3 392.463 3.722 20 0 GHADHM C[C@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])N(C)Cc1ccccc1 ZINC000736711848 600206073 /nfs/dbraw/zinc/20/60/73/600206073.db2.gz GFPRKZRCLZWQMM-CVEARBPZSA-N -1 3 386.517 3.502 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1-c1nnn[n-]1 ZINC000820164920 607432444 /nfs/dbraw/zinc/43/24/44/607432444.db2.gz NFQIJYYUHMDBGV-ZDUSSCGKSA-N -1 3 396.451 3.584 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1-c1nn[n-]n1 ZINC000820164920 607432446 /nfs/dbraw/zinc/43/24/46/607432446.db2.gz NFQIJYYUHMDBGV-ZDUSSCGKSA-N -1 3 396.451 3.584 20 0 GHADHM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000739465633 600284394 /nfs/dbraw/zinc/28/43/94/600284394.db2.gz ZEHZNEGZKBLTOX-GOSISDBHSA-N -1 3 387.867 3.997 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457199 607439869 /nfs/dbraw/zinc/43/98/69/607439869.db2.gz HDDZATPWCSCJIJ-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457199 607439870 /nfs/dbraw/zinc/43/98/70/607439870.db2.gz HDDZATPWCSCJIJ-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000738771704 600384584 /nfs/dbraw/zinc/38/45/84/600384584.db2.gz UPEJUOPEMIQHOB-UHFFFAOYSA-N -1 3 385.439 3.572 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC ZINC000426801856 600437650 /nfs/dbraw/zinc/43/76/50/600437650.db2.gz STVHVLPJLYHLIJ-QGZVFWFLSA-N -1 3 394.265 3.772 20 0 GHADHM CN(C(=O)c1cc(Cl)cc(Br)c1)c1ccccc1-c1nnn[n-]1 ZINC000825825792 607789825 /nfs/dbraw/zinc/78/98/25/607789825.db2.gz JDSFIJXQOYFHGJ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cc(Cl)cc(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000825825792 607789826 /nfs/dbraw/zinc/78/98/26/607789826.db2.gz JDSFIJXQOYFHGJ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM O=C(NCc1cccc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826442716 607456480 /nfs/dbraw/zinc/45/64/80/607456480.db2.gz HYRJKYIULFUWHW-UHFFFAOYSA-N -1 3 384.443 3.508 20 0 GHADHM O=C(NCc1cccc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826442716 607456482 /nfs/dbraw/zinc/45/64/82/607456482.db2.gz HYRJKYIULFUWHW-UHFFFAOYSA-N -1 3 384.443 3.508 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736814817 600744645 /nfs/dbraw/zinc/74/46/45/600744645.db2.gz MNYAYYZAEVDWRI-QGZVFWFLSA-N -1 3 396.491 3.929 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000832918081 600762672 /nfs/dbraw/zinc/76/26/72/600762672.db2.gz SMTAQQQYDVJRSW-HZPDHXFCSA-N -1 3 392.459 3.557 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825051861 607467581 /nfs/dbraw/zinc/46/75/81/607467581.db2.gz TVVLLDFCOMOFNK-SCLBCKFNSA-N -1 3 387.447 3.578 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825051861 607467582 /nfs/dbraw/zinc/46/75/82/607467582.db2.gz TVVLLDFCOMOFNK-SCLBCKFNSA-N -1 3 387.447 3.578 20 0 GHADHM c1csc([C@@H]2c3ccsc3CCN2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826526139 607478946 /nfs/dbraw/zinc/47/89/46/607478946.db2.gz MLZCEDKEPFBZJN-KRWDZBQOSA-N -1 3 380.502 3.532 20 0 GHADHM c1csc([C@@H]2c3ccsc3CCN2Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826526139 607478948 /nfs/dbraw/zinc/47/89/48/607478948.db2.gz MLZCEDKEPFBZJN-KRWDZBQOSA-N -1 3 380.502 3.532 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828279337 601046027 /nfs/dbraw/zinc/04/60/27/601046027.db2.gz XGDHKNRAXZLOFP-GOSISDBHSA-N -1 3 395.503 3.832 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000833032442 601620140 /nfs/dbraw/zinc/62/01/40/601620140.db2.gz FPZOWQQKHSBNPF-UHFFFAOYSA-N -1 3 393.896 3.654 20 0 GHADHM CCN(CC1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1)C(=O)OC(C)(C)C ZINC000829687603 601647946 /nfs/dbraw/zinc/64/79/46/601647946.db2.gz MUIYLVGOMJZBBG-UHFFFAOYSA-N -1 3 394.487 3.993 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000826044753 601651004 /nfs/dbraw/zinc/65/10/04/601651004.db2.gz KZLXBCBEPMTZKM-JPYJTQIMSA-N -1 3 394.515 3.519 20 0 GHADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000827735008 601831221 /nfs/dbraw/zinc/83/12/21/601831221.db2.gz OGGSMWDNKDPDRR-CYBMUJFWSA-N -1 3 381.407 3.955 20 0 GHADHM COc1cc([C@@H](C)NCc2c[nH]c(C(=O)[O-])c2)ccc1OCc1ccncc1 ZINC000831955396 601831524 /nfs/dbraw/zinc/83/15/24/601831524.db2.gz KADZMJCVRZXHKG-CQSZACIVSA-N -1 3 381.432 3.546 20 0 GHADHM CCOc1ccccc1OCCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830116973 601898765 /nfs/dbraw/zinc/89/87/65/601898765.db2.gz JLIVPFBEEDVUFQ-GOSISDBHSA-N -1 3 383.366 3.639 20 0 GHADHM C[C@@H](CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000827449486 601917282 /nfs/dbraw/zinc/91/72/82/601917282.db2.gz LDKBSZHUNVOEHP-YVEFUNNKSA-N -1 3 399.318 3.842 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)cs1 ZINC000825576324 607535529 /nfs/dbraw/zinc/53/55/29/607535529.db2.gz DPXFNYUDLZLMDA-NSHDSACASA-N -1 3 391.522 3.863 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)cs1 ZINC000825576324 607535531 /nfs/dbraw/zinc/53/55/31/607535531.db2.gz DPXFNYUDLZLMDA-NSHDSACASA-N -1 3 391.522 3.863 20 0 GHADHM COc1ccc(CSc2nc3ccccc3n2C(F)F)cc1-c1nnn[n-]1 ZINC000826208095 607539261 /nfs/dbraw/zinc/53/92/61/607539261.db2.gz SJDCNOXMAOTNNN-UHFFFAOYSA-N -1 3 388.403 3.912 20 0 GHADHM COc1ccc(CSc2nc3ccccc3n2C(F)F)cc1-c1nn[n-]n1 ZINC000826208095 607539263 /nfs/dbraw/zinc/53/92/63/607539263.db2.gz SJDCNOXMAOTNNN-UHFFFAOYSA-N -1 3 388.403 3.912 20 0 GHADHM Cc1nc(C)n(C[C@H]2CCCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n1 ZINC000832995764 602040292 /nfs/dbraw/zinc/04/02/92/602040292.db2.gz JIDWNVLAOAFHGN-SUMWQHHRSA-N -1 3 397.306 3.740 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000832050347 602165526 /nfs/dbraw/zinc/16/55/26/602165526.db2.gz PJORCEWACSGDQP-GTNSWQLSSA-N -1 3 381.375 3.782 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827687388 602244414 /nfs/dbraw/zinc/24/44/14/602244414.db2.gz LIQJGUHIYYWVIM-UKRRQHHQSA-N -1 3 380.460 3.649 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)c(Cl)n2)cc1-c1nnn[n-]1 ZINC000826204072 607560101 /nfs/dbraw/zinc/56/01/01/607560101.db2.gz WAKPIYFWOQEYNI-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)c(Cl)n2)cc1-c1nn[n-]n1 ZINC000826204072 607560102 /nfs/dbraw/zinc/56/01/02/607560102.db2.gz WAKPIYFWOQEYNI-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM C[C@H](NC(=O)[O-])C1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000739014349 602688767 /nfs/dbraw/zinc/68/87/67/602688767.db2.gz IHVKVNZUXGILFE-AWEZNQCLSA-N -1 3 384.505 3.931 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000825943436 603229855 /nfs/dbraw/zinc/22/98/55/603229855.db2.gz DARNPARDKWGFKD-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM Cc1c(Cl)cccc1NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826237265 607648334 /nfs/dbraw/zinc/64/83/34/607648334.db2.gz UGYTZQLBQZATGD-UHFFFAOYSA-N -1 3 384.896 3.804 20 0 GHADHM Cc1c(Cl)cccc1NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826237265 607648336 /nfs/dbraw/zinc/64/83/36/607648336.db2.gz UGYTZQLBQZATGD-UHFFFAOYSA-N -1 3 384.896 3.804 20 0 GHADHM S=C(NC(C1CC1)C1CC1)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000826511087 607648905 /nfs/dbraw/zinc/64/89/05/607648905.db2.gz BIVUNGCPJZLEHL-UHFFFAOYSA-N -1 3 396.564 3.674 20 0 GHADHM S=C(NC(C1CC1)C1CC1)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000826511087 607648907 /nfs/dbraw/zinc/64/89/07/607648907.db2.gz BIVUNGCPJZLEHL-UHFFFAOYSA-N -1 3 396.564 3.674 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000826249391 607656347 /nfs/dbraw/zinc/65/63/47/607656347.db2.gz ACBJPFQZPNVXTE-UHFFFAOYSA-N -1 3 390.369 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000826249391 607656349 /nfs/dbraw/zinc/65/63/49/607656349.db2.gz ACBJPFQZPNVXTE-UHFFFAOYSA-N -1 3 390.369 3.512 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000826245915 607666718 /nfs/dbraw/zinc/66/67/18/607666718.db2.gz MDCAUCREVXSNSQ-UHFFFAOYSA-N -1 3 392.850 3.508 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000826245915 607666721 /nfs/dbraw/zinc/66/67/21/607666721.db2.gz MDCAUCREVXSNSQ-UHFFFAOYSA-N -1 3 392.850 3.508 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000831826930 604234636 /nfs/dbraw/zinc/23/46/36/604234636.db2.gz WRERDYHVRVCVEG-UHFFFAOYSA-N -1 3 384.480 3.524 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000831826125 604236880 /nfs/dbraw/zinc/23/68/80/604236880.db2.gz KTNGEJVIUXGEJC-QGZVFWFLSA-N -1 3 386.414 3.593 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c(C)c2c1 ZINC000826214020 607686130 /nfs/dbraw/zinc/68/61/30/607686130.db2.gz WWKYRKHHBWSVEU-CYBMUJFWSA-N -1 3 391.431 3.729 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c(C)c2c1 ZINC000826214020 607686132 /nfs/dbraw/zinc/68/61/32/607686132.db2.gz WWKYRKHHBWSVEU-CYBMUJFWSA-N -1 3 391.431 3.729 20 0 GHADHM C[C@@H](NC1CCC(NC(=O)[O-])CC1)c1ccccc1I ZINC000825471783 604355916 /nfs/dbraw/zinc/35/59/16/604355916.db2.gz BXZBQPDXZHQVQK-VOMCLLRMSA-N -1 3 388.249 3.521 20 0 GHADHM CCSc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825675085 607691617 /nfs/dbraw/zinc/69/16/17/607691617.db2.gz VVLQPTCSPBIIHZ-UHFFFAOYSA-N -1 3 393.516 3.712 20 0 GHADHM CCSc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000825675085 607691618 /nfs/dbraw/zinc/69/16/18/607691618.db2.gz VVLQPTCSPBIIHZ-UHFFFAOYSA-N -1 3 393.516 3.712 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000826247126 607692416 /nfs/dbraw/zinc/69/24/16/607692416.db2.gz URAAAEBIXCCWTQ-GOSISDBHSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000826247126 607692417 /nfs/dbraw/zinc/69/24/17/607692417.db2.gz URAAAEBIXCCWTQ-GOSISDBHSA-N -1 3 389.484 3.950 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000825971422 607693658 /nfs/dbraw/zinc/69/36/58/607693658.db2.gz GCIIXNPKLUOYCN-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000825971422 607693660 /nfs/dbraw/zinc/69/36/60/607693660.db2.gz GCIIXNPKLUOYCN-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000826246940 607703542 /nfs/dbraw/zinc/70/35/42/607703542.db2.gz PNKYOXCQEVBFCS-LLVKDONJSA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000826246940 607703543 /nfs/dbraw/zinc/70/35/43/607703543.db2.gz PNKYOXCQEVBFCS-LLVKDONJSA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000826246820 607703786 /nfs/dbraw/zinc/70/37/86/607703786.db2.gz MGJGENZOQMCUII-HXUWFJFHSA-N -1 3 387.418 3.834 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000826246820 607703789 /nfs/dbraw/zinc/70/37/89/607703789.db2.gz MGJGENZOQMCUII-HXUWFJFHSA-N -1 3 387.418 3.834 20 0 GHADHM Cc1cc(CN2CCSC[C@H]2CC(=O)[O-])cc(C)c1OCc1ccccn1 ZINC000833745326 604659210 /nfs/dbraw/zinc/65/92/10/604659210.db2.gz CRBFWBUQBPZSJR-LJQANCHMSA-N -1 3 386.517 3.670 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000826250735 607709224 /nfs/dbraw/zinc/70/92/24/607709224.db2.gz PMXWQPGUJGXWGE-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000826250735 607709226 /nfs/dbraw/zinc/70/92/26/607709226.db2.gz PMXWQPGUJGXWGE-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CC(C)CN(C(=O)CCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824248825 607711414 /nfs/dbraw/zinc/71/14/14/607711414.db2.gz DBLKTAOVAUOWTM-UHFFFAOYSA-N -1 3 385.418 3.767 20 0 GHADHM CC(C)CN(C(=O)CCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824248825 607711416 /nfs/dbraw/zinc/71/14/16/607711416.db2.gz DBLKTAOVAUOWTM-UHFFFAOYSA-N -1 3 385.418 3.767 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(C(=O)[O-])cc2F)C2CC2)CC1 ZINC000833436795 604763127 /nfs/dbraw/zinc/76/31/27/604763127.db2.gz NDPPTANPNPGKSO-UHFFFAOYSA-N -1 3 392.471 3.888 20 0 GHADHM C[C@@]1(NCc2nnc(-c3ccccc3Br)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568947 604815290 /nfs/dbraw/zinc/81/52/90/604815290.db2.gz JAIWLYDQTQCLMP-YVEFUNNKSA-N -1 3 394.269 3.622 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410638 604950436 /nfs/dbraw/zinc/95/04/36/604950436.db2.gz ZLJADGCDHDLPIA-QWHCGFSZSA-N -1 3 386.414 3.855 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410639 604950964 /nfs/dbraw/zinc/95/09/64/604950964.db2.gz ZLJADGCDHDLPIA-STQMWFEESA-N -1 3 386.414 3.855 20 0 GHADHM C[C@@]1(NCc2csc(COc3ccc(F)cc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569554 605066496 /nfs/dbraw/zinc/06/64/96/605066496.db2.gz MQEIADFXQNPVGW-VQIMIIECSA-N -1 3 378.469 3.984 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000826338821 607734202 /nfs/dbraw/zinc/73/42/02/607734202.db2.gz JAZLQDOLLUYSCN-QMMMGPOBSA-N -1 3 385.378 3.514 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000826338821 607734203 /nfs/dbraw/zinc/73/42/03/607734203.db2.gz JAZLQDOLLUYSCN-QMMMGPOBSA-N -1 3 385.378 3.514 20 0 GHADHM CN(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1nc2ccccc2s1 ZINC000833686280 605179374 /nfs/dbraw/zinc/17/93/74/605179374.db2.gz SMQAWNIRKUIZMA-SFHVURJKSA-N -1 3 397.500 3.701 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000833412410 605180307 /nfs/dbraw/zinc/18/03/07/605180307.db2.gz KKBAUNWAGFFSHG-QGZVFWFLSA-N -1 3 383.473 3.677 20 0 GHADHM O=C([O-])NC[C@H]1CCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000834225947 605573544 /nfs/dbraw/zinc/57/35/44/605573544.db2.gz QAPRCMYNDMRSTB-OAHLLOKOSA-N -1 3 387.867 3.682 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000826267758 607767451 /nfs/dbraw/zinc/76/74/51/607767451.db2.gz VJJVNXWBXPXMDX-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000826267758 607767452 /nfs/dbraw/zinc/76/74/52/607767452.db2.gz VJJVNXWBXPXMDX-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(C)c1 ZINC000826282243 607769798 /nfs/dbraw/zinc/76/97/98/607769798.db2.gz FMOWVWVKBQJSIB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(C)c1 ZINC000826282243 607769799 /nfs/dbraw/zinc/76/97/99/607769799.db2.gz FMOWVWVKBQJSIB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cn1ccnc1C[C@H](N[C@H]1C[C@@H](NC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833954997 605799205 /nfs/dbraw/zinc/79/92/05/605799205.db2.gz BVGJCWCPWBXUGU-SLFFLAALSA-N -1 3 376.460 3.747 20 0 GHADHM O=C(NCc1ccc[nH]1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823253341 606024552 /nfs/dbraw/zinc/02/45/52/606024552.db2.gz GOIMBJPDNGPPFY-UHFFFAOYSA-N -1 3 394.822 3.571 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820989174 606053195 /nfs/dbraw/zinc/05/31/95/606053195.db2.gz NJIARQLBSSXLQK-XLIONFOSSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820989174 606053201 /nfs/dbraw/zinc/05/32/01/606053201.db2.gz NJIARQLBSSXLQK-XLIONFOSSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CC2CCCCCC2)c1C ZINC000822482289 606069700 /nfs/dbraw/zinc/06/97/00/606069700.db2.gz OTIWDXMMHOOYLN-UHFFFAOYSA-N -1 3 393.495 3.968 20 0 GHADHM CC1CCC(OC2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)CC1 ZINC000820690297 606077023 /nfs/dbraw/zinc/07/70/23/606077023.db2.gz JECASMUFAOQOKG-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM CC1CCC(OC2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)CC1 ZINC000820690297 606077029 /nfs/dbraw/zinc/07/70/29/606077029.db2.gz JECASMUFAOQOKG-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000531313496 606099047 /nfs/dbraw/zinc/09/90/47/606099047.db2.gz LZLIHNIQJKDXCL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000531313496 606099051 /nfs/dbraw/zinc/09/90/51/606099051.db2.gz LZLIHNIQJKDXCL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000819866439 606102426 /nfs/dbraw/zinc/10/24/26/606102426.db2.gz MTJOZVUXNVAWOI-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000819866439 606102427 /nfs/dbraw/zinc/10/24/27/606102427.db2.gz MTJOZVUXNVAWOI-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc2n[nH]cc2c1 ZINC000823350295 606109064 /nfs/dbraw/zinc/10/90/64/606109064.db2.gz HVTBZIKKCKRZBM-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc2n[nH]cc2c1 ZINC000823350295 606109066 /nfs/dbraw/zinc/10/90/66/606109066.db2.gz HVTBZIKKCKRZBM-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000821727737 606125894 /nfs/dbraw/zinc/12/58/94/606125894.db2.gz NRYXCQRSFVJMSL-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000821727737 606125896 /nfs/dbraw/zinc/12/58/96/606125896.db2.gz NRYXCQRSFVJMSL-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823060514 606131318 /nfs/dbraw/zinc/13/13/18/606131318.db2.gz FOBNYLXMPYYATO-UHFFFAOYSA-N -1 3 393.394 3.757 20 0 GHADHM O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823060514 606131319 /nfs/dbraw/zinc/13/13/19/606131319.db2.gz FOBNYLXMPYYATO-UHFFFAOYSA-N -1 3 393.394 3.757 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820563421 606149253 /nfs/dbraw/zinc/14/92/53/606149253.db2.gz QPKGQTUNZALWRY-WDEREUQCSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820563421 606149254 /nfs/dbraw/zinc/14/92/54/606149254.db2.gz QPKGQTUNZALWRY-WDEREUQCSA-N -1 3 375.885 3.846 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822028612 606150871 /nfs/dbraw/zinc/15/08/71/606150871.db2.gz QXRAQJGCAVKGAQ-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM CC1(C)CCN1C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000820601271 606151658 /nfs/dbraw/zinc/15/16/58/606151658.db2.gz HAXPKBJKQUBCOS-UHFFFAOYSA-N -1 3 379.489 3.784 20 0 GHADHM CC1(C)CCN1C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000820601271 606151660 /nfs/dbraw/zinc/15/16/60/606151660.db2.gz HAXPKBJKQUBCOS-UHFFFAOYSA-N -1 3 379.489 3.784 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823303821 606154242 /nfs/dbraw/zinc/15/42/42/606154242.db2.gz WPDNDSMNRAPCSE-PHIMTYICSA-N -1 3 380.374 3.539 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823303821 606154244 /nfs/dbraw/zinc/15/42/44/606154244.db2.gz WPDNDSMNRAPCSE-PHIMTYICSA-N -1 3 380.374 3.539 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380661 606154506 /nfs/dbraw/zinc/15/45/06/606154506.db2.gz XYVFGBUMKCPCQG-ZDUSSCGKSA-N -1 3 392.463 3.978 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380661 606154508 /nfs/dbraw/zinc/15/45/08/606154508.db2.gz XYVFGBUMKCPCQG-ZDUSSCGKSA-N -1 3 392.463 3.978 20 0 GHADHM O=C(Nc1cnc2ccccc2n1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823375679 606154886 /nfs/dbraw/zinc/15/48/86/606154886.db2.gz FBAVJGJYDWIKSL-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1cnc2ccccc2n1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823375679 606154888 /nfs/dbraw/zinc/15/48/88/606154888.db2.gz FBAVJGJYDWIKSL-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000820287574 606178157 /nfs/dbraw/zinc/17/81/57/606178157.db2.gz NULUSPPTDZEMKV-WDEREUQCSA-N -1 3 392.868 3.696 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000820287574 606178158 /nfs/dbraw/zinc/17/81/58/606178158.db2.gz NULUSPPTDZEMKV-WDEREUQCSA-N -1 3 392.868 3.696 20 0 GHADHM CO[C@@H](C)c1nc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821675416 606178452 /nfs/dbraw/zinc/17/84/52/606178452.db2.gz KXCFEJMXSRABNA-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Oc2nccs2)cc1 ZINC000822978384 606182049 /nfs/dbraw/zinc/18/20/49/606182049.db2.gz IRIZSNOWHDCTOT-UHFFFAOYSA-N -1 3 393.428 3.654 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Oc2nccs2)cc1 ZINC000822978384 606182050 /nfs/dbraw/zinc/18/20/50/606182050.db2.gz IRIZSNOWHDCTOT-UHFFFAOYSA-N -1 3 393.428 3.654 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000819976276 606184500 /nfs/dbraw/zinc/18/45/00/606184500.db2.gz SOYYTBZGNROWNZ-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000819976276 606184502 /nfs/dbraw/zinc/18/45/02/606184502.db2.gz SOYYTBZGNROWNZ-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM Cc1ccc(SC2(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)CCCC2)cc1 ZINC000822267499 606186762 /nfs/dbraw/zinc/18/67/62/606186762.db2.gz XEGNAOACVPIRNK-UHFFFAOYSA-N -1 3 380.477 3.614 20 0 GHADHM Cc1ccc(SC2(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)CCCC2)cc1 ZINC000822267499 606186764 /nfs/dbraw/zinc/18/67/64/606186764.db2.gz XEGNAOACVPIRNK-UHFFFAOYSA-N -1 3 380.477 3.614 20 0 GHADHM Cc1cncc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)c1 ZINC000822399444 606188698 /nfs/dbraw/zinc/18/86/98/606188698.db2.gz IBZRRWSWUCUAOS-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cncc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)c1 ZINC000822399444 606188699 /nfs/dbraw/zinc/18/86/99/606188699.db2.gz IBZRRWSWUCUAOS-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820356955 606197590 /nfs/dbraw/zinc/19/75/90/606197590.db2.gz DGNRUUZHXWJVRO-JMERFSKESA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820356955 606197592 /nfs/dbraw/zinc/19/75/92/606197592.db2.gz DGNRUUZHXWJVRO-JMERFSKESA-N -1 3 394.454 3.690 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000822206014 606223328 /nfs/dbraw/zinc/22/33/28/606223328.db2.gz RCBVJIGBAMZVDN-OALUTQOASA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000822206014 606223329 /nfs/dbraw/zinc/22/33/29/606223329.db2.gz RCBVJIGBAMZVDN-OALUTQOASA-N -1 3 391.450 3.894 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823360277 606268888 /nfs/dbraw/zinc/26/88/88/606268888.db2.gz YEWJWCKDJNOTCO-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823360277 606268890 /nfs/dbraw/zinc/26/88/90/606268890.db2.gz YEWJWCKDJNOTCO-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000821123790 606283050 /nfs/dbraw/zinc/28/30/50/606283050.db2.gz ZAERSKKFYHSHMX-UHFFFAOYSA-N -1 3 380.452 3.728 20 0 GHADHM CC1(C)CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820595874 606288338 /nfs/dbraw/zinc/28/83/38/606288338.db2.gz KRLIJZSRCQZZEK-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CC1(C)CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820595874 606288340 /nfs/dbraw/zinc/28/83/40/606288340.db2.gz KRLIJZSRCQZZEK-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640329 606298168 /nfs/dbraw/zinc/29/81/68/606298168.db2.gz GGVLWZTVFLQSPQ-XOBRGWDASA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640329 606298169 /nfs/dbraw/zinc/29/81/69/606298169.db2.gz GGVLWZTVFLQSPQ-XOBRGWDASA-N -1 3 387.443 3.585 20 0 GHADHM CN(Cc1ccc[nH]1)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821612062 606299138 /nfs/dbraw/zinc/29/91/38/606299138.db2.gz GVBKFIROUCBDDP-UHFFFAOYSA-N -1 3 390.472 3.618 20 0 GHADHM CN(Cc1ccc[nH]1)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821612062 606299139 /nfs/dbraw/zinc/29/91/39/606299139.db2.gz GVBKFIROUCBDDP-UHFFFAOYSA-N -1 3 390.472 3.618 20 0 GHADHM CC(C)[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820028407 606328672 /nfs/dbraw/zinc/32/86/72/606328672.db2.gz YRWLFDZXHXXVDI-GOSISDBHSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820028407 606328674 /nfs/dbraw/zinc/32/86/74/606328674.db2.gz YRWLFDZXHXXVDI-GOSISDBHSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000820380078 606350295 /nfs/dbraw/zinc/35/02/95/606350295.db2.gz KYEIURGBXFXRNU-LLVKDONJSA-N -1 3 393.382 3.544 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000820380078 606350296 /nfs/dbraw/zinc/35/02/96/606350296.db2.gz KYEIURGBXFXRNU-LLVKDONJSA-N -1 3 393.382 3.544 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512334 606353110 /nfs/dbraw/zinc/35/31/10/606353110.db2.gz KIDLODKBWRVQPL-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512334 606353112 /nfs/dbraw/zinc/35/31/12/606353112.db2.gz KIDLODKBWRVQPL-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496102 606357440 /nfs/dbraw/zinc/35/74/40/606357440.db2.gz LNHVUEQVAPPGAC-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496102 606357442 /nfs/dbraw/zinc/35/74/42/606357442.db2.gz LNHVUEQVAPPGAC-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821099209 606357529 /nfs/dbraw/zinc/35/75/29/606357529.db2.gz BVBIJFQIUWDNQQ-UHFFFAOYSA-N -1 3 386.406 3.632 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821099209 606357532 /nfs/dbraw/zinc/35/75/32/606357532.db2.gz BVBIJFQIUWDNQQ-UHFFFAOYSA-N -1 3 386.406 3.632 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506558 606359398 /nfs/dbraw/zinc/35/93/98/606359398.db2.gz BGSNRAYVNMQFIY-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506558 606359400 /nfs/dbraw/zinc/35/94/00/606359400.db2.gz BGSNRAYVNMQFIY-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508087 606359576 /nfs/dbraw/zinc/35/95/76/606359576.db2.gz MDPNTYSZAIQEDM-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508087 606359577 /nfs/dbraw/zinc/35/95/77/606359577.db2.gz MDPNTYSZAIQEDM-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691687 606360787 /nfs/dbraw/zinc/36/07/87/606360787.db2.gz YSMDZMZSXNIDCR-GOEBONIOSA-N -1 3 394.431 3.912 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691687 606360788 /nfs/dbraw/zinc/36/07/88/606360788.db2.gz YSMDZMZSXNIDCR-GOEBONIOSA-N -1 3 394.431 3.912 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691692 606360821 /nfs/dbraw/zinc/36/08/21/606360821.db2.gz YSMDZMZSXNIDCR-ZBFHGGJFSA-N -1 3 394.431 3.912 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691692 606360823 /nfs/dbraw/zinc/36/08/23/606360823.db2.gz YSMDZMZSXNIDCR-ZBFHGGJFSA-N -1 3 394.431 3.912 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950308 606361677 /nfs/dbraw/zinc/36/16/77/606361677.db2.gz JIHMYBXQJKZNFE-HNNXBMFYSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950308 606361678 /nfs/dbraw/zinc/36/16/78/606361678.db2.gz JIHMYBXQJKZNFE-HNNXBMFYSA-N -1 3 380.404 3.524 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000822220510 606363295 /nfs/dbraw/zinc/36/32/95/606363295.db2.gz UNEKWRVRVGDYMM-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000822220510 606363298 /nfs/dbraw/zinc/36/32/98/606363298.db2.gz UNEKWRVRVGDYMM-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc3ccccc3c2C)c1-c1nnn[n-]1 ZINC000821466800 606372834 /nfs/dbraw/zinc/37/28/34/606372834.db2.gz ZTJVZKUGLYUDHJ-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc3ccccc3c2C)c1-c1nn[n-]n1 ZINC000821466800 606372835 /nfs/dbraw/zinc/37/28/35/606372835.db2.gz ZTJVZKUGLYUDHJ-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccc(-c3nnn[n-]3)s2)nc2cc(Cl)ccc12 ZINC000823656981 606389938 /nfs/dbraw/zinc/38/99/38/606389938.db2.gz LCQIQFSVHSQKPH-UXBLZVDNSA-N -1 3 391.243 3.555 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822021162 606398875 /nfs/dbraw/zinc/39/88/75/606398875.db2.gz WWKZTYXMHVUJIU-LBPRGKRZSA-N -1 3 393.447 3.576 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822021162 606398877 /nfs/dbraw/zinc/39/88/77/606398877.db2.gz WWKZTYXMHVUJIU-LBPRGKRZSA-N -1 3 393.447 3.576 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820508793 606436766 /nfs/dbraw/zinc/43/67/66/606436766.db2.gz XTIGPGDXCXBOFZ-NWDGAFQWSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820508793 606436768 /nfs/dbraw/zinc/43/67/68/606436768.db2.gz XTIGPGDXCXBOFZ-NWDGAFQWSA-N -1 3 379.445 3.825 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000821389509 606461036 /nfs/dbraw/zinc/46/10/36/606461036.db2.gz MMAOZDXJHSQIIF-UHFFFAOYSA-N -1 3 395.806 3.686 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000821389509 606461037 /nfs/dbraw/zinc/46/10/37/606461037.db2.gz MMAOZDXJHSQIIF-UHFFFAOYSA-N -1 3 395.806 3.686 20 0 GHADHM C[C@H]1c2ccsc2CCN1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820825840 606481866 /nfs/dbraw/zinc/48/18/66/606481866.db2.gz FJUVCOZPIQILDY-JTQLQIEISA-N -1 3 377.420 3.649 20 0 GHADHM C[C@H]1c2ccsc2CCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820825840 606481867 /nfs/dbraw/zinc/48/18/67/606481867.db2.gz FJUVCOZPIQILDY-JTQLQIEISA-N -1 3 377.420 3.649 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1c1ccco1 ZINC000822732997 606492656 /nfs/dbraw/zinc/49/26/56/606492656.db2.gz QBEGCTTUPQDRJR-AWEZNQCLSA-N -1 3 375.379 3.788 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1ccco1 ZINC000822732997 606492657 /nfs/dbraw/zinc/49/26/57/606492657.db2.gz QBEGCTTUPQDRJR-AWEZNQCLSA-N -1 3 375.379 3.788 20 0 GHADHM CCc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)c1 ZINC000821492474 606494311 /nfs/dbraw/zinc/49/43/11/606494311.db2.gz NVUMOHBFEVZIEM-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)c1 ZINC000821492474 606494313 /nfs/dbraw/zinc/49/43/13/606494313.db2.gz NVUMOHBFEVZIEM-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1ccccc1F)C1CCCC1 ZINC000823087200 606507432 /nfs/dbraw/zinc/50/74/32/606507432.db2.gz KKHDSIZJJPUDRH-UHFFFAOYSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1ccccc1F)C1CCCC1 ZINC000823087200 606507433 /nfs/dbraw/zinc/50/74/33/606507433.db2.gz KKHDSIZJJPUDRH-UHFFFAOYSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380104 606514887 /nfs/dbraw/zinc/51/48/87/606514887.db2.gz QOQDWESUGQTZJV-VOTSOKGWSA-N -1 3 380.458 3.807 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380104 606514889 /nfs/dbraw/zinc/51/48/89/606514889.db2.gz QOQDWESUGQTZJV-VOTSOKGWSA-N -1 3 380.458 3.807 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000819766107 606548613 /nfs/dbraw/zinc/54/86/13/606548613.db2.gz VFRXBJGKIVIENX-NTMALXAHSA-N -1 3 389.337 3.649 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000819766107 606548614 /nfs/dbraw/zinc/54/86/14/606548614.db2.gz VFRXBJGKIVIENX-NTMALXAHSA-N -1 3 389.337 3.649 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1(C)CC1 ZINC000820308126 606552339 /nfs/dbraw/zinc/55/23/39/606552339.db2.gz RLIZTXRTPOFGLC-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1(C)CC1 ZINC000820308126 606552341 /nfs/dbraw/zinc/55/23/41/606552341.db2.gz RLIZTXRTPOFGLC-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821483157 606569385 /nfs/dbraw/zinc/56/93/85/606569385.db2.gz ZBQOAGJFBYMZDJ-SFHVURJKSA-N -1 3 379.464 3.709 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821483157 606569387 /nfs/dbraw/zinc/56/93/87/606569387.db2.gz ZBQOAGJFBYMZDJ-SFHVURJKSA-N -1 3 379.464 3.709 20 0 GHADHM Cc1cscc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822414794 606569917 /nfs/dbraw/zinc/56/99/17/606569917.db2.gz UULOCHBMHPAYJS-UHFFFAOYSA-N -1 3 381.486 3.895 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570252 606570365 /nfs/dbraw/zinc/57/03/65/606570365.db2.gz FMRMNHRNRATXEK-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570252 606570366 /nfs/dbraw/zinc/57/03/66/606570366.db2.gz FMRMNHRNRATXEK-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000821763067 606576294 /nfs/dbraw/zinc/57/62/94/606576294.db2.gz UXFORNJVYQJIHI-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000821763067 606576295 /nfs/dbraw/zinc/57/62/95/606576295.db2.gz UXFORNJVYQJIHI-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822978205 606578819 /nfs/dbraw/zinc/57/88/19/606578819.db2.gz FVQZRCDPVAGURC-UHFFFAOYSA-N -1 3 399.454 3.644 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822978205 606578822 /nfs/dbraw/zinc/57/88/22/606578822.db2.gz FVQZRCDPVAGURC-UHFFFAOYSA-N -1 3 399.454 3.644 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765005 606603272 /nfs/dbraw/zinc/60/32/72/606603272.db2.gz MFESMGKJMLDXCW-RSKUSDAESA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765005 606603274 /nfs/dbraw/zinc/60/32/74/606603274.db2.gz MFESMGKJMLDXCW-RSKUSDAESA-N -1 3 399.401 3.749 20 0 GHADHM c1csc(Oc2ccc(OCCCOc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000823815199 606617411 /nfs/dbraw/zinc/61/74/11/606617411.db2.gz AYHPIBJXTLOBEH-UHFFFAOYSA-N -1 3 395.444 3.963 20 0 GHADHM Cc1cnc(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)o1 ZINC000822394775 606645680 /nfs/dbraw/zinc/64/56/80/606645680.db2.gz GXKSYEPOGXFKJP-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823350698 606660817 /nfs/dbraw/zinc/66/08/17/606660817.db2.gz XVCFPZFEOKINEU-KSSFIOAISA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823350698 606660818 /nfs/dbraw/zinc/66/08/18/606660818.db2.gz XVCFPZFEOKINEU-KSSFIOAISA-N -1 3 376.420 3.675 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC000822679984 606665552 /nfs/dbraw/zinc/66/55/52/606665552.db2.gz LCSLCBCOZFHQRN-UHFFFAOYSA-N -1 3 380.839 3.583 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC000822679984 606665553 /nfs/dbraw/zinc/66/55/53/606665553.db2.gz LCSLCBCOZFHQRN-UHFFFAOYSA-N -1 3 380.839 3.583 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@]3(C)CCCO3)c2-c2nnn[n-]2)C1 ZINC000820578257 606666038 /nfs/dbraw/zinc/66/60/38/606666038.db2.gz ZOSXEFOWSOWHRU-WYRIXSBYSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@]3(C)CCCO3)c2-c2nn[n-]n2)C1 ZINC000820578257 606666039 /nfs/dbraw/zinc/66/60/39/606666039.db2.gz ZOSXEFOWSOWHRU-WYRIXSBYSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000819965444 606669342 /nfs/dbraw/zinc/66/93/42/606669342.db2.gz HEXGLYVSCJUUTJ-UHFFFAOYSA-N -1 3 398.373 3.836 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000819965444 606669343 /nfs/dbraw/zinc/66/93/43/606669343.db2.gz HEXGLYVSCJUUTJ-UHFFFAOYSA-N -1 3 398.373 3.836 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139263 606673249 /nfs/dbraw/zinc/67/32/49/606673249.db2.gz AUBWPZOTDRHGDI-SFHVURJKSA-N -1 3 383.402 3.806 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139263 606673250 /nfs/dbraw/zinc/67/32/50/606673250.db2.gz AUBWPZOTDRHGDI-SFHVURJKSA-N -1 3 383.402 3.806 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CCc2ccccc2C1 ZINC000821083272 606674262 /nfs/dbraw/zinc/67/42/62/606674262.db2.gz WQLYRTDRDSQXRN-INIZCTEOSA-N -1 3 397.429 3.555 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCc2ccccc2C1 ZINC000821083272 606674263 /nfs/dbraw/zinc/67/42/63/606674263.db2.gz WQLYRTDRDSQXRN-INIZCTEOSA-N -1 3 397.429 3.555 20 0 GHADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149503 606677807 /nfs/dbraw/zinc/67/78/07/606677807.db2.gz CHIZEGDXLDDEAV-KDOFPFPSSA-N -1 3 397.429 3.676 20 0 GHADHM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149503 606677808 /nfs/dbraw/zinc/67/78/08/606677808.db2.gz CHIZEGDXLDDEAV-KDOFPFPSSA-N -1 3 397.429 3.676 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822201963 606681064 /nfs/dbraw/zinc/68/10/64/606681064.db2.gz DQJHQRZTMGWFIS-UHFFFAOYSA-N -1 3 389.793 3.700 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822201963 606681065 /nfs/dbraw/zinc/68/10/65/606681065.db2.gz DQJHQRZTMGWFIS-UHFFFAOYSA-N -1 3 389.793 3.700 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820881798 606682380 /nfs/dbraw/zinc/68/23/80/606682380.db2.gz DAYJHQWEMDZDDM-OAHLLOKOSA-N -1 3 379.464 3.673 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820881798 606682381 /nfs/dbraw/zinc/68/23/81/606682381.db2.gz DAYJHQWEMDZDDM-OAHLLOKOSA-N -1 3 379.464 3.673 20 0 GHADHM C[C@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820736042 606692487 /nfs/dbraw/zinc/69/24/87/606692487.db2.gz WTEDKZPRIPWJHT-ZDUSSCGKSA-N -1 3 397.529 3.627 20 0 GHADHM C[C@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820736042 606692488 /nfs/dbraw/zinc/69/24/88/606692488.db2.gz WTEDKZPRIPWJHT-ZDUSSCGKSA-N -1 3 397.529 3.627 20 0 GHADHM CC(C)(C)c1csc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000819965455 606705753 /nfs/dbraw/zinc/70/57/53/606705753.db2.gz HKMREDJUMVRYHR-UHFFFAOYSA-N -1 3 398.536 3.664 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@H](c2cccs2)C1 ZINC000822204472 606725895 /nfs/dbraw/zinc/72/58/95/606725895.db2.gz PTNXKQLRKGWJTF-HNNXBMFYSA-N -1 3 396.451 3.502 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@H](c2cccs2)C1 ZINC000822204472 606725897 /nfs/dbraw/zinc/72/58/97/606725897.db2.gz PTNXKQLRKGWJTF-HNNXBMFYSA-N -1 3 396.451 3.502 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823422008 606763834 /nfs/dbraw/zinc/76/38/34/606763834.db2.gz MYLDRPTUXAOREM-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823422008 606763835 /nfs/dbraw/zinc/76/38/35/606763835.db2.gz MYLDRPTUXAOREM-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000822135613 606774053 /nfs/dbraw/zinc/77/40/53/606774053.db2.gz DXQHYBVPUPTDHC-AWEZNQCLSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000822135613 606774054 /nfs/dbraw/zinc/77/40/54/606774054.db2.gz DXQHYBVPUPTDHC-AWEZNQCLSA-N -1 3 377.448 3.840 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823309086 606784029 /nfs/dbraw/zinc/78/40/29/606784029.db2.gz RSIDHQFSCTUARJ-MRXNPFEDSA-N -1 3 389.419 3.767 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823309086 606784031 /nfs/dbraw/zinc/78/40/31/606784031.db2.gz RSIDHQFSCTUARJ-MRXNPFEDSA-N -1 3 389.419 3.767 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)CC(F)(F)F)cc1 ZINC000822135461 606787868 /nfs/dbraw/zinc/78/78/68/606787868.db2.gz AYZUCLLKHXVYCY-UHFFFAOYSA-N -1 3 391.353 3.602 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)CC(F)(F)F)cc1 ZINC000822135461 606787869 /nfs/dbraw/zinc/78/78/69/606787869.db2.gz AYZUCLLKHXVYCY-UHFFFAOYSA-N -1 3 391.353 3.602 20 0 GHADHM c1cn(C2CCCC2)nc1CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823762383 606841650 /nfs/dbraw/zinc/84/16/50/606841650.db2.gz NOGOUZNTBJGBLN-UHFFFAOYSA-N -1 3 384.509 3.881 20 0 GHADHM c1cn(C2CCCC2)nc1CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823762383 606841651 /nfs/dbraw/zinc/84/16/51/606841651.db2.gz NOGOUZNTBJGBLN-UHFFFAOYSA-N -1 3 384.509 3.881 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](c1ccccc1)C1CC1 ZINC000823066111 606852258 /nfs/dbraw/zinc/85/22/58/606852258.db2.gz MEBGWHNQRCTFMJ-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](c1ccccc1)C1CC1 ZINC000823066111 606852259 /nfs/dbraw/zinc/85/22/59/606852259.db2.gz MEBGWHNQRCTFMJ-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM CN(C(=O)c1ccc(Br)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821573325 606872113 /nfs/dbraw/zinc/87/21/13/606872113.db2.gz LCAIDWSJQCIRDZ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Br)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821573325 606872115 /nfs/dbraw/zinc/87/21/15/606872115.db2.gz LCAIDWSJQCIRDZ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Fc1ccccc1[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000822796068 606931893 /nfs/dbraw/zinc/93/18/93/606931893.db2.gz LTMSMWIVJKMAHR-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccccc1[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000822796068 606931895 /nfs/dbraw/zinc/93/18/95/606931895.db2.gz LTMSMWIVJKMAHR-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)CO2 ZINC000822274724 606936718 /nfs/dbraw/zinc/93/67/18/606936718.db2.gz HDBHUAVMQTYIJP-FQEVSTJZSA-N -1 3 397.438 3.706 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)CO2 ZINC000822274724 606936719 /nfs/dbraw/zinc/93/67/19/606936719.db2.gz HDBHUAVMQTYIJP-FQEVSTJZSA-N -1 3 397.438 3.706 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](c4ccsc4)C3)c2c1 ZINC000822581733 606949544 /nfs/dbraw/zinc/94/95/44/606949544.db2.gz MOTVPOXUGKODAV-MRXNPFEDSA-N -1 3 398.879 3.708 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](c4ccsc4)C3)c2c1 ZINC000822581733 606949546 /nfs/dbraw/zinc/94/95/46/606949546.db2.gz MOTVPOXUGKODAV-MRXNPFEDSA-N -1 3 398.879 3.708 20 0 GHADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572053 606962718 /nfs/dbraw/zinc/96/27/18/606962718.db2.gz PPQVAGRNTIJCEH-UHFFFAOYSA-N -1 3 395.772 3.744 20 0 GHADHM CN(C(=O)Cc1ccccc1C(F)(F)F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572053 606962719 /nfs/dbraw/zinc/96/27/19/606962719.db2.gz PPQVAGRNTIJCEH-UHFFFAOYSA-N -1 3 395.772 3.744 20 0 GHADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574644 606963495 /nfs/dbraw/zinc/96/34/95/606963495.db2.gz QAFQIFJMYGWWPH-UHFFFAOYSA-N -1 3 397.744 3.695 20 0 GHADHM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574644 606963497 /nfs/dbraw/zinc/96/34/97/606963497.db2.gz QAFQIFJMYGWWPH-UHFFFAOYSA-N -1 3 397.744 3.695 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000822231847 606977155 /nfs/dbraw/zinc/97/71/55/606977155.db2.gz JLGHUYVELFCXRH-FOIQADDNSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)[C@H](C)CO2)c1 ZINC000822231847 606977157 /nfs/dbraw/zinc/97/71/57/606977157.db2.gz JLGHUYVELFCXRH-FOIQADDNSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c1C ZINC000822020800 606990732 /nfs/dbraw/zinc/99/07/32/606990732.db2.gz JSAYKMVXAUHUGQ-UHFFFAOYSA-N -1 3 384.505 3.524 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c1C ZINC000822020800 606990733 /nfs/dbraw/zinc/99/07/33/606990733.db2.gz JSAYKMVXAUHUGQ-UHFFFAOYSA-N -1 3 384.505 3.524 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccncc1 ZINC000820225483 607006319 /nfs/dbraw/zinc/00/63/19/607006319.db2.gz JREZEROZHXHKNM-LBPRGKRZSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccncc1 ZINC000820225483 607006321 /nfs/dbraw/zinc/00/63/21/607006321.db2.gz JREZEROZHXHKNM-LBPRGKRZSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1ccncc1 ZINC000820727206 607006830 /nfs/dbraw/zinc/00/68/30/607006830.db2.gz ITYFOKCEZWHIKE-NWDGAFQWSA-N -1 3 382.493 3.580 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1ccncc1 ZINC000820727206 607006831 /nfs/dbraw/zinc/00/68/31/607006831.db2.gz ITYFOKCEZWHIKE-NWDGAFQWSA-N -1 3 382.493 3.580 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820555243 607009971 /nfs/dbraw/zinc/00/99/71/607009971.db2.gz HSRIHDUWCJQEOU-OAHLLOKOSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820555243 607009973 /nfs/dbraw/zinc/00/99/73/607009973.db2.gz HSRIHDUWCJQEOU-OAHLLOKOSA-N -1 3 381.505 3.785 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823358814 607013686 /nfs/dbraw/zinc/01/36/86/607013686.db2.gz FTMOFLBIOFEDPF-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823358814 607013687 /nfs/dbraw/zinc/01/36/87/607013687.db2.gz FTMOFLBIOFEDPF-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196648 607023050 /nfs/dbraw/zinc/02/30/50/607023050.db2.gz RGSDLLFPQXVDRZ-OAHLLOKOSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196648 607023051 /nfs/dbraw/zinc/02/30/51/607023051.db2.gz RGSDLLFPQXVDRZ-OAHLLOKOSA-N -1 3 379.464 3.518 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822934960 607082917 /nfs/dbraw/zinc/08/29/17/607082917.db2.gz FJHDHDVSWFQUNQ-OAHLLOKOSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822934960 607082919 /nfs/dbraw/zinc/08/29/19/607082919.db2.gz FJHDHDVSWFQUNQ-OAHLLOKOSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@H](OC1CCCC1)c1ccccc1 ZINC000823413640 607083095 /nfs/dbraw/zinc/08/30/95/607083095.db2.gz LJQLRUDZPBCIOP-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@H](OC1CCCC1)c1ccccc1 ZINC000823413640 607083097 /nfs/dbraw/zinc/08/30/97/607083097.db2.gz LJQLRUDZPBCIOP-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000822761201 607133784 /nfs/dbraw/zinc/13/37/84/607133784.db2.gz BYUJLYDQNYJLOI-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000822761201 607133786 /nfs/dbraw/zinc/13/37/86/607133786.db2.gz BYUJLYDQNYJLOI-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820836930 607153335 /nfs/dbraw/zinc/15/33/35/607153335.db2.gz FAVBACQOKQSHBQ-AWEZNQCLSA-N -1 3 377.448 3.683 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820836930 607153337 /nfs/dbraw/zinc/15/33/37/607153337.db2.gz FAVBACQOKQSHBQ-AWEZNQCLSA-N -1 3 377.448 3.683 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)oc1C ZINC000822177184 607153463 /nfs/dbraw/zinc/15/34/63/607153463.db2.gz VYANATFYCAEGPK-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)oc1C ZINC000822177184 607153464 /nfs/dbraw/zinc/15/34/64/607153464.db2.gz VYANATFYCAEGPK-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820073769 607163780 /nfs/dbraw/zinc/16/37/80/607163780.db2.gz VNUBPPUWZPGSFE-GOSISDBHSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820073769 607163781 /nfs/dbraw/zinc/16/37/81/607163781.db2.gz VNUBPPUWZPGSFE-GOSISDBHSA-N -1 3 385.512 3.843 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823150039 607169399 /nfs/dbraw/zinc/16/93/99/607169399.db2.gz KHDICUYRVVZZPH-CYBMUJFWSA-N -1 3 383.402 3.841 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823150039 607169400 /nfs/dbraw/zinc/16/94/00/607169400.db2.gz KHDICUYRVVZZPH-CYBMUJFWSA-N -1 3 383.402 3.841 20 0 GHADHM Fc1cc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc(F)c1F ZINC000822748117 607170099 /nfs/dbraw/zinc/17/00/99/607170099.db2.gz IULVCUZOQJTIAF-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1cc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc(F)c1F ZINC000822748117 607170100 /nfs/dbraw/zinc/17/01/00/607170100.db2.gz IULVCUZOQJTIAF-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000822190784 607174792 /nfs/dbraw/zinc/17/47/92/607174792.db2.gz AQDJKPPYMDNZHU-CQSZACIVSA-N -1 3 395.536 3.598 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000822190784 607174793 /nfs/dbraw/zinc/17/47/93/607174793.db2.gz AQDJKPPYMDNZHU-CQSZACIVSA-N -1 3 395.536 3.598 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1sccc1-c1nnn[n-]1 ZINC000823299345 607187935 /nfs/dbraw/zinc/18/79/35/607187935.db2.gz SWEAJGFAZMCNNA-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1sccc1-c1nn[n-]n1 ZINC000823299345 607187936 /nfs/dbraw/zinc/18/79/36/607187936.db2.gz SWEAJGFAZMCNNA-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821890660 607189993 /nfs/dbraw/zinc/18/99/93/607189993.db2.gz NRKGNTOLIOGZBZ-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821890660 607189994 /nfs/dbraw/zinc/18/99/94/607189994.db2.gz NRKGNTOLIOGZBZ-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1OCC ZINC000821417848 607190674 /nfs/dbraw/zinc/19/06/74/607190674.db2.gz UPTHSWGGDNCFBL-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1OCC ZINC000821417848 607190675 /nfs/dbraw/zinc/19/06/75/607190675.db2.gz UPTHSWGGDNCFBL-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](Cc1ccccc1)C1CC1 ZINC000823318607 607196862 /nfs/dbraw/zinc/19/68/62/607196862.db2.gz FSCMJAZBFKGHET-QGZVFWFLSA-N -1 3 382.855 3.663 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](Cc1ccccc1)C1CC1 ZINC000823318607 607196863 /nfs/dbraw/zinc/19/68/63/607196863.db2.gz FSCMJAZBFKGHET-QGZVFWFLSA-N -1 3 382.855 3.663 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819834633 607234045 /nfs/dbraw/zinc/23/40/45/607234045.db2.gz PSKWBBQRAOSDPH-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819834633 607234046 /nfs/dbraw/zinc/23/40/46/607234046.db2.gz PSKWBBQRAOSDPH-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(C)CN(Cc1noc(-c2ccsc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820092409 607235393 /nfs/dbraw/zinc/23/53/93/607235393.db2.gz LEXDZABXYLUGLN-UHFFFAOYSA-N -1 3 381.465 3.641 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc2ccccc2c(Cl)n1 ZINC000823319049 607241871 /nfs/dbraw/zinc/24/18/71/607241871.db2.gz POIOZPLUYHQOMF-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc2ccccc2c(Cl)n1 ZINC000823319049 607241872 /nfs/dbraw/zinc/24/18/72/607241872.db2.gz POIOZPLUYHQOMF-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Oc2ccccc2)ccn1 ZINC000823319637 607243337 /nfs/dbraw/zinc/24/33/37/607243337.db2.gz WVQOHLHEECVECA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Oc2ccccc2)ccn1 ZINC000823319637 607243338 /nfs/dbraw/zinc/24/33/38/607243338.db2.gz WVQOHLHEECVECA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000822408942 607244787 /nfs/dbraw/zinc/24/47/87/607244787.db2.gz JKVRTEZYRLYLDZ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000822408942 607244788 /nfs/dbraw/zinc/24/47/88/607244788.db2.gz JKVRTEZYRLYLDZ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824914951 607782380 /nfs/dbraw/zinc/78/23/80/607782380.db2.gz AOMHXTHAKNYIFU-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824914951 607782381 /nfs/dbraw/zinc/78/23/81/607782381.db2.gz AOMHXTHAKNYIFU-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(OC)cc1 ZINC000825082980 607783025 /nfs/dbraw/zinc/78/30/25/607783025.db2.gz WGQGFKUUPYNESY-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM CC[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(OC)cc1 ZINC000825082980 607783026 /nfs/dbraw/zinc/78/30/26/607783026.db2.gz WGQGFKUUPYNESY-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=S)Nc2ccccc2C)cc1-c1nnn[n-]1 ZINC000825546002 607783956 /nfs/dbraw/zinc/78/39/56/607783956.db2.gz ZXZPFGAZSICZJI-UHFFFAOYSA-N -1 3 397.464 3.552 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=S)Nc2ccccc2C)cc1-c1nn[n-]n1 ZINC000825546002 607783957 /nfs/dbraw/zinc/78/39/57/607783957.db2.gz ZXZPFGAZSICZJI-UHFFFAOYSA-N -1 3 397.464 3.552 20 0 GHADHM FC(F)(F)c1csc(CSCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826369026 607785086 /nfs/dbraw/zinc/78/50/86/607785086.db2.gz JOCOIAMOEDCZJL-UHFFFAOYSA-N -1 3 387.412 3.654 20 0 GHADHM CC[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825082094 607785560 /nfs/dbraw/zinc/78/55/60/607785560.db2.gz QERRTZITVFXWAU-ZDUSSCGKSA-N -1 3 383.427 3.561 20 0 GHADHM CC[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825082094 607785561 /nfs/dbraw/zinc/78/55/61/607785561.db2.gz QERRTZITVFXWAU-ZDUSSCGKSA-N -1 3 383.427 3.561 20 0 GHADHM CN(C(=O)CCCCc1nc2ccccc2s1)c1ccccc1-c1nnn[n-]1 ZINC000825817305 607789078 /nfs/dbraw/zinc/78/90/78/607789078.db2.gz GKCDIDFKSLHDCS-UHFFFAOYSA-N -1 3 392.488 3.852 20 0 GHADHM CN(C(=O)CCCCc1nc2ccccc2s1)c1ccccc1-c1nn[n-]n1 ZINC000825817305 607789079 /nfs/dbraw/zinc/78/90/79/607789079.db2.gz GKCDIDFKSLHDCS-UHFFFAOYSA-N -1 3 392.488 3.852 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1-c1nnn[n-]1 ZINC000825833684 607790314 /nfs/dbraw/zinc/79/03/14/607790314.db2.gz KSJRCYGBUXKMKW-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1-c1nn[n-]n1 ZINC000825833684 607790315 /nfs/dbraw/zinc/79/03/15/607790315.db2.gz KSJRCYGBUXKMKW-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CCN(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385290 607797633 /nfs/dbraw/zinc/79/76/33/607797633.db2.gz BKLGWIYUOXYLBC-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385290 607797634 /nfs/dbraw/zinc/79/76/34/607797634.db2.gz BKLGWIYUOXYLBC-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1cccc(Br)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385556 607797860 /nfs/dbraw/zinc/79/78/60/607797860.db2.gz KNHDFJAFBMOCLM-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1cccc(Br)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385556 607797861 /nfs/dbraw/zinc/79/78/61/607797861.db2.gz KNHDFJAFBMOCLM-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385604 607799391 /nfs/dbraw/zinc/79/93/91/607799391.db2.gz NFPLCLWTVRPLGB-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CCN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385604 607799392 /nfs/dbraw/zinc/79/93/92/607799392.db2.gz NFPLCLWTVRPLGB-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000736156013 607800993 /nfs/dbraw/zinc/80/09/93/607800993.db2.gz RPPFIRUFGZQYIX-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000736156013 607800994 /nfs/dbraw/zinc/80/09/94/607800994.db2.gz RPPFIRUFGZQYIX-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2OCC1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826462850 607802618 /nfs/dbraw/zinc/80/26/18/607802618.db2.gz KWPMTRJRRMPHTI-MRXNPFEDSA-N -1 3 382.445 3.561 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2OCC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826462850 607802619 /nfs/dbraw/zinc/80/26/19/607802619.db2.gz KWPMTRJRRMPHTI-MRXNPFEDSA-N -1 3 382.445 3.561 20 0 GHADHM CC(C)(C)SCCCC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000824123648 607813670 /nfs/dbraw/zinc/81/36/70/607813670.db2.gz JQXLLOBZUCGDRN-UHFFFAOYSA-N -1 3 393.582 3.528 20 0 GHADHM CC(C)(C)SCCCC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000824123648 607813671 /nfs/dbraw/zinc/81/36/71/607813671.db2.gz JQXLLOBZUCGDRN-UHFFFAOYSA-N -1 3 393.582 3.528 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338248 607817869 /nfs/dbraw/zinc/81/78/69/607817869.db2.gz PAGYOGBWKNIONG-CYBMUJFWSA-N -1 3 382.468 3.654 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338248 607817870 /nfs/dbraw/zinc/81/78/70/607817870.db2.gz PAGYOGBWKNIONG-CYBMUJFWSA-N -1 3 382.468 3.654 20 0 GHADHM C[C@@H]1CSc2ccccc2N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000825012239 607831763 /nfs/dbraw/zinc/83/17/63/607831763.db2.gz FKVZTTIAPTUWJG-JTQLQIEISA-N -1 3 387.415 3.534 20 0 GHADHM C[C@@H]1CSc2ccccc2N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000825012239 607831764 /nfs/dbraw/zinc/83/17/64/607831764.db2.gz FKVZTTIAPTUWJG-JTQLQIEISA-N -1 3 387.415 3.534 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826329162 607838902 /nfs/dbraw/zinc/83/89/02/607838902.db2.gz SAZCUQKSPAJYKF-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826329162 607838903 /nfs/dbraw/zinc/83/89/03/607838903.db2.gz SAZCUQKSPAJYKF-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM c1c(CNc2cnccc2-c2nnn[n-]2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000826519465 607839463 /nfs/dbraw/zinc/83/94/63/607839463.db2.gz ZPRCPJIUFPEFOK-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM c1c(CNc2cnccc2-c2nn[n-]n2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000826519465 607839464 /nfs/dbraw/zinc/83/94/64/607839464.db2.gz ZPRCPJIUFPEFOK-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(-n2ccnc2)cc1 ZINC000826368166 607842150 /nfs/dbraw/zinc/84/21/50/607842150.db2.gz DZTOVZSWYQBRMA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(-n2ccnc2)cc1 ZINC000826368166 607842151 /nfs/dbraw/zinc/84/21/51/607842151.db2.gz DZTOVZSWYQBRMA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1c(F)cccc1F ZINC000824757596 607845330 /nfs/dbraw/zinc/84/53/30/607845330.db2.gz YDVFNRYYOSNWFS-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1c(F)cccc1F ZINC000824757596 607845331 /nfs/dbraw/zinc/84/53/31/607845331.db2.gz YDVFNRYYOSNWFS-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCC1 ZINC000824830314 607857185 /nfs/dbraw/zinc/85/71/85/607857185.db2.gz JPDFASUVXZLORK-UHFFFAOYSA-N -1 3 382.399 3.862 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCC1 ZINC000824830314 607857186 /nfs/dbraw/zinc/85/71/86/607857186.db2.gz JPDFASUVXZLORK-UHFFFAOYSA-N -1 3 382.399 3.862 20 0 GHADHM CCN(C(=O)COc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371730 607878799 /nfs/dbraw/zinc/87/87/99/607878799.db2.gz JDPCPNFIHMXUGK-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)COc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371730 607878800 /nfs/dbraw/zinc/87/88/00/607878800.db2.gz JDPCPNFIHMXUGK-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Cc1c(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nnn[n-]2)cnn1C ZINC000826235768 607884132 /nfs/dbraw/zinc/88/41/32/607884132.db2.gz QSDYICSTIIFFQH-BQYQJAHWSA-N -1 3 390.838 3.533 20 0 GHADHM Cc1c(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nn[n-]n2)cnn1C ZINC000826235768 607884133 /nfs/dbraw/zinc/88/41/33/607884133.db2.gz QSDYICSTIIFFQH-BQYQJAHWSA-N -1 3 390.838 3.533 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333376 607911676 /nfs/dbraw/zinc/91/16/76/607911676.db2.gz IVSMRAXVNQUBJH-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333376 607911677 /nfs/dbraw/zinc/91/16/77/607911677.db2.gz IVSMRAXVNQUBJH-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM FC(F)(F)C1=CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000826367284 607935722 /nfs/dbraw/zinc/93/57/22/607935722.db2.gz SISCMHYMEIHLAK-UHFFFAOYSA-N -1 3 380.761 3.767 20 0 GHADHM FC(F)(F)C1=CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000826367284 607935723 /nfs/dbraw/zinc/93/57/23/607935723.db2.gz SISCMHYMEIHLAK-UHFFFAOYSA-N -1 3 380.761 3.767 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825674455 607947783 /nfs/dbraw/zinc/94/77/83/607947783.db2.gz LQFKKGBBRMUZMZ-UHFFFAOYSA-N -1 3 385.880 3.835 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825674455 607947784 /nfs/dbraw/zinc/94/77/84/607947784.db2.gz LQFKKGBBRMUZMZ-UHFFFAOYSA-N -1 3 385.880 3.835 20 0 GHADHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)n1Cc1ccccc1 ZINC000826258691 607954152 /nfs/dbraw/zinc/95/41/52/607954152.db2.gz SMCKKRZQBXAGJH-UHFFFAOYSA-N -1 3 398.470 3.536 20 0 GHADHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)n1Cc1ccccc1 ZINC000826258691 607954153 /nfs/dbraw/zinc/95/41/53/607954153.db2.gz SMCKKRZQBXAGJH-UHFFFAOYSA-N -1 3 398.470 3.536 20 0 GHADHM Cc1cc(COC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)on1 ZINC000826267725 607964160 /nfs/dbraw/zinc/96/41/60/607964160.db2.gz SKAZGUNYRXFXLU-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cc1cc(COC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)on1 ZINC000826267725 607964161 /nfs/dbraw/zinc/96/41/61/607964161.db2.gz SKAZGUNYRXFXLU-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826336592 607965662 /nfs/dbraw/zinc/96/56/62/607965662.db2.gz FDBYZGCJGJSYRR-XJKSGUPXSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337685 607968918 /nfs/dbraw/zinc/96/89/18/607968918.db2.gz XLAKSWZIGNNYPL-BXKDBHETSA-N -1 3 390.904 3.717 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337685 607968919 /nfs/dbraw/zinc/96/89/19/607968919.db2.gz XLAKSWZIGNNYPL-BXKDBHETSA-N -1 3 390.904 3.717 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000826207359 607983694 /nfs/dbraw/zinc/98/36/94/607983694.db2.gz LHPAEGABZILHGL-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000826207359 607983695 /nfs/dbraw/zinc/98/36/95/607983695.db2.gz LHPAEGABZILHGL-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)cc1-c1nnn[n-]1 ZINC000826207204 607984214 /nfs/dbraw/zinc/98/42/14/607984214.db2.gz FAHICUVOMOEXJF-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000826207204 607984215 /nfs/dbraw/zinc/98/42/15/607984215.db2.gz FAHICUVOMOEXJF-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824521852 607986144 /nfs/dbraw/zinc/98/61/44/607986144.db2.gz NPCRZBKZWLZQOU-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824521852 607986145 /nfs/dbraw/zinc/98/61/45/607986145.db2.gz NPCRZBKZWLZQOU-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)n1C ZINC000826273374 607993090 /nfs/dbraw/zinc/99/30/90/607993090.db2.gz ARFUVQUBJVQJBJ-GFCCVEGCSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)n1C ZINC000826273374 607993091 /nfs/dbraw/zinc/99/30/91/607993091.db2.gz ARFUVQUBJVQJBJ-GFCCVEGCSA-N -1 3 394.460 3.555 20 0 GHADHM COC1CCC(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)CC1 ZINC000826144490 608000068 /nfs/dbraw/zinc/00/00/68/608000068.db2.gz LCJDMCHKSMZBRN-PNESKVBLSA-N -1 3 389.525 3.587 20 0 GHADHM COC1CCC(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)CC1 ZINC000826144490 608000069 /nfs/dbraw/zinc/00/00/69/608000069.db2.gz LCJDMCHKSMZBRN-PNESKVBLSA-N -1 3 389.525 3.587 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400117 608006027 /nfs/dbraw/zinc/00/60/27/608006027.db2.gz PYQOACCTHGZVRX-KXFIGUGUSA-N -1 3 394.744 3.586 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400117 608006028 /nfs/dbraw/zinc/00/60/28/608006028.db2.gz PYQOACCTHGZVRX-KXFIGUGUSA-N -1 3 394.744 3.586 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000824114287 608022570 /nfs/dbraw/zinc/02/25/70/608022570.db2.gz NBLNQSNHAZXTIQ-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000824114287 608022571 /nfs/dbraw/zinc/02/25/71/608022571.db2.gz NBLNQSNHAZXTIQ-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)n1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2Br)cn1 ZINC000824650196 608050043 /nfs/dbraw/zinc/05/00/43/608050043.db2.gz PVRHQZYENLGGDB-SNVBAGLBSA-N -1 3 376.262 3.580 20 0 GHADHM CCC(CC)[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825095110 608065449 /nfs/dbraw/zinc/06/54/49/608065449.db2.gz DFWMCDPBHNCZCZ-ZDUSSCGKSA-N -1 3 381.484 3.680 20 0 GHADHM CC(C)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000824347877 608072326 /nfs/dbraw/zinc/07/23/26/608072326.db2.gz QLULIMVUHSVUHM-LJQANCHMSA-N -1 3 392.463 3.596 20 0 GHADHM CC(C)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000824347877 608072327 /nfs/dbraw/zinc/07/23/27/608072327.db2.gz QLULIMVUHSVUHM-LJQANCHMSA-N -1 3 392.463 3.596 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236386 608074074 /nfs/dbraw/zinc/07/40/74/608074074.db2.gz JZTLVLLWILOKDZ-UHFFFAOYSA-N -1 3 395.822 3.838 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236386 608074075 /nfs/dbraw/zinc/07/40/75/608074075.db2.gz JZTLVLLWILOKDZ-UHFFFAOYSA-N -1 3 395.822 3.838 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824489113 608100052 /nfs/dbraw/zinc/10/00/52/608100052.db2.gz JECMRAFDDGXWEH-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824489113 608100053 /nfs/dbraw/zinc/10/00/53/608100053.db2.gz JECMRAFDDGXWEH-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1C1CC1 ZINC000825083202 608106414 /nfs/dbraw/zinc/10/64/14/608106414.db2.gz YNWLDVHJXQUXEY-LLVKDONJSA-N -1 3 396.455 3.564 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1C1CC1 ZINC000825083202 608106415 /nfs/dbraw/zinc/10/64/15/608106415.db2.gz YNWLDVHJXQUXEY-LLVKDONJSA-N -1 3 396.455 3.564 20 0 GHADHM CCc1cccc(NC(=S)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)c1 ZINC000825723116 608109478 /nfs/dbraw/zinc/10/94/78/608109478.db2.gz RNMIOYLZPAMOHI-UHFFFAOYSA-N -1 3 392.492 3.608 20 0 GHADHM CCc1cccc(NC(=S)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)c1 ZINC000825723116 608109479 /nfs/dbraw/zinc/10/94/79/608109479.db2.gz RNMIOYLZPAMOHI-UHFFFAOYSA-N -1 3 392.492 3.608 20 0 GHADHM C[C@@H](Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662677 608121850 /nfs/dbraw/zinc/12/18/50/608121850.db2.gz PGBXFTIHAGGOQG-CQSZACIVSA-N -1 3 386.463 3.583 20 0 GHADHM C[C@@H](Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662677 608121851 /nfs/dbraw/zinc/12/18/51/608121851.db2.gz PGBXFTIHAGGOQG-CQSZACIVSA-N -1 3 386.463 3.583 20 0 GHADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000825013034 608149492 /nfs/dbraw/zinc/14/94/92/608149492.db2.gz NLAIGMAYCNBEDZ-NHYWBVRUSA-N -1 3 399.838 3.676 20 0 GHADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000825013034 608149493 /nfs/dbraw/zinc/14/94/93/608149493.db2.gz NLAIGMAYCNBEDZ-NHYWBVRUSA-N -1 3 399.838 3.676 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824080684 608149976 /nfs/dbraw/zinc/14/99/76/608149976.db2.gz ZNTQLHDAVVUVKN-BXUZGUMPSA-N -1 3 380.290 3.635 20 0 GHADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363311 608151342 /nfs/dbraw/zinc/15/13/42/608151342.db2.gz XOQDISOPDKSBDU-CHWSQXEVSA-N -1 3 385.418 3.858 20 0 GHADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363311 608151344 /nfs/dbraw/zinc/15/13/44/608151344.db2.gz XOQDISOPDKSBDU-CHWSQXEVSA-N -1 3 385.418 3.858 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000825621519 608155111 /nfs/dbraw/zinc/15/51/11/608155111.db2.gz VLWFVAAWQZXLRL-UHFFFAOYSA-N -1 3 397.866 3.880 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000825621519 608155113 /nfs/dbraw/zinc/15/51/13/608155113.db2.gz VLWFVAAWQZXLRL-UHFFFAOYSA-N -1 3 397.866 3.880 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1oc2ccccc2c1C ZINC000825797154 608176188 /nfs/dbraw/zinc/17/61/88/608176188.db2.gz WHPGLECEONRJCH-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1oc2ccccc2c1C ZINC000825797154 608176191 /nfs/dbraw/zinc/17/61/91/608176191.db2.gz WHPGLECEONRJCH-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000825788570 608177233 /nfs/dbraw/zinc/17/72/33/608177233.db2.gz RLMUBFYBRLICLD-CQSZACIVSA-N -1 3 389.463 3.759 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000825788570 608177235 /nfs/dbraw/zinc/17/72/35/608177235.db2.gz RLMUBFYBRLICLD-CQSZACIVSA-N -1 3 389.463 3.759 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2nc(C)ns2)cc1 ZINC000826176336 608180811 /nfs/dbraw/zinc/18/08/11/608180811.db2.gz LDPSTVVTPKLBGY-UHFFFAOYSA-N -1 3 381.421 3.571 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2nc(C)ns2)cc1 ZINC000826176336 608180812 /nfs/dbraw/zinc/18/08/12/608180812.db2.gz LDPSTVVTPKLBGY-UHFFFAOYSA-N -1 3 381.421 3.571 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825653758 608184230 /nfs/dbraw/zinc/18/42/30/608184230.db2.gz JFNSZPCLMZUTNE-LBPRGKRZSA-N -1 3 388.374 3.662 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825653758 608184232 /nfs/dbraw/zinc/18/42/32/608184232.db2.gz JFNSZPCLMZUTNE-LBPRGKRZSA-N -1 3 388.374 3.662 20 0 GHADHM COc1ccc(C)cc1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826190160 608206446 /nfs/dbraw/zinc/20/64/46/608206446.db2.gz RPOWLJIYAVAZOR-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM COc1ccc(C)cc1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826190160 608206447 /nfs/dbraw/zinc/20/64/47/608206447.db2.gz RPOWLJIYAVAZOR-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCc2ccccc21 ZINC000824755979 608206980 /nfs/dbraw/zinc/20/69/80/608206980.db2.gz NFHQWSDGTPJVHQ-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000824755979 608206981 /nfs/dbraw/zinc/20/69/81/608206981.db2.gz NFHQWSDGTPJVHQ-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc3cc(-c4nnn[n-]4)ccc3n1)CCCO2 ZINC000826375867 608223648 /nfs/dbraw/zinc/22/36/48/608223648.db2.gz FEJVJXLHQCBWCW-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)CCCO2 ZINC000826375867 608223650 /nfs/dbraw/zinc/22/36/50/608223650.db2.gz FEJVJXLHQCBWCW-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Brc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000823831761 608224050 /nfs/dbraw/zinc/22/40/50/608224050.db2.gz BZOKHLVNSAVSKT-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000823831761 608224051 /nfs/dbraw/zinc/22/40/51/608224051.db2.gz BZOKHLVNSAVSKT-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000826190178 608239891 /nfs/dbraw/zinc/23/98/91/608239891.db2.gz SDZOUMWABVXJPC-RBZFPXEDSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000826190178 608239893 /nfs/dbraw/zinc/23/98/93/608239893.db2.gz SDZOUMWABVXJPC-RBZFPXEDSA-N -1 3 390.447 3.612 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824925795 608266161 /nfs/dbraw/zinc/26/61/61/608266161.db2.gz HEMVSRKZYMEOJN-LPHOPBHVSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824925795 608266163 /nfs/dbraw/zinc/26/61/63/608266163.db2.gz HEMVSRKZYMEOJN-LPHOPBHVSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C[C@H]1C ZINC000824945778 608269132 /nfs/dbraw/zinc/26/91/32/608269132.db2.gz FMGAHSDXPBJUMV-UONOGXRCSA-N -1 3 393.451 3.564 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C[C@H]1C ZINC000824945778 608269134 /nfs/dbraw/zinc/26/91/34/608269134.db2.gz FMGAHSDXPBJUMV-UONOGXRCSA-N -1 3 393.451 3.564 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000824148386 608270230 /nfs/dbraw/zinc/27/02/30/608270230.db2.gz SOVQFYUYQANOGW-MRXNPFEDSA-N -1 3 394.479 3.570 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000824148386 608270231 /nfs/dbraw/zinc/27/02/31/608270231.db2.gz SOVQFYUYQANOGW-MRXNPFEDSA-N -1 3 394.479 3.570 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Cn3cnc4ccccc43)cc2)n1 ZINC000826276788 608280436 /nfs/dbraw/zinc/28/04/36/608280436.db2.gz XEIXWNUUIHZDAW-UHFFFAOYSA-N -1 3 396.458 3.580 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Cn3cnc4ccccc43)cc2)n1 ZINC000826276788 608280437 /nfs/dbraw/zinc/28/04/37/608280437.db2.gz XEIXWNUUIHZDAW-UHFFFAOYSA-N -1 3 396.458 3.580 20 0 GHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Br)ccc1F ZINC000824605527 608283684 /nfs/dbraw/zinc/28/36/84/608283684.db2.gz JKYMVLCQDCZVAS-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367796 608343898 /nfs/dbraw/zinc/34/38/98/608343898.db2.gz WXNAZAZWOWWEEE-UHFFFAOYSA-N -1 3 377.782 3.665 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367796 608343900 /nfs/dbraw/zinc/34/39/00/608343900.db2.gz WXNAZAZWOWWEEE-UHFFFAOYSA-N -1 3 377.782 3.665 20 0 GHADHM CCN(C(=O)/C=C/SCc1ccco1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367202 608344995 /nfs/dbraw/zinc/34/49/95/608344995.db2.gz KWPVYLIZYYTQAR-VQHVLOKHSA-N -1 3 389.868 3.913 20 0 GHADHM CCN(C(=O)/C=C/SCc1ccco1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367202 608344997 /nfs/dbraw/zinc/34/49/97/608344997.db2.gz KWPVYLIZYYTQAR-VQHVLOKHSA-N -1 3 389.868 3.913 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)c(Br)c(F)c1 ZINC000826452639 608410960 /nfs/dbraw/zinc/41/09/60/608410960.db2.gz AOANAIIECNXBHL-UHFFFAOYSA-N -1 3 395.167 3.551 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)c(Br)c(F)c1 ZINC000826452639 608410961 /nfs/dbraw/zinc/41/09/61/608410961.db2.gz AOANAIIECNXBHL-UHFFFAOYSA-N -1 3 395.167 3.551 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826285853 608450122 /nfs/dbraw/zinc/45/01/22/608450122.db2.gz LTMGDHKBZYVAOY-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826285853 608450124 /nfs/dbraw/zinc/45/01/24/608450124.db2.gz LTMGDHKBZYVAOY-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc(-c2nnc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)o2)cc1 ZINC000826273567 608462636 /nfs/dbraw/zinc/46/26/36/608462636.db2.gz JMOCNRSFCLWUCL-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826295762 608467026 /nfs/dbraw/zinc/46/70/26/608467026.db2.gz WYPYAUXDZSJYIQ-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826295762 608467027 /nfs/dbraw/zinc/46/70/27/608467027.db2.gz WYPYAUXDZSJYIQ-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM CC(C)c1csc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824352471 608470537 /nfs/dbraw/zinc/47/05/37/608470537.db2.gz FJVQZJYNFHQIGY-UHFFFAOYSA-N -1 3 395.492 3.768 20 0 GHADHM CC(C)c1csc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824352471 608470539 /nfs/dbraw/zinc/47/05/39/608470539.db2.gz FJVQZJYNFHQIGY-UHFFFAOYSA-N -1 3 395.492 3.768 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)c(Cl)c1 ZINC000824633013 608471814 /nfs/dbraw/zinc/47/18/14/608471814.db2.gz GJLYWBDATOPRNF-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)c(Cl)c1 ZINC000824633013 608471815 /nfs/dbraw/zinc/47/18/15/608471815.db2.gz GJLYWBDATOPRNF-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826289184 608483046 /nfs/dbraw/zinc/48/30/46/608483046.db2.gz OGFZVLQBZGPNHW-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826289184 608483047 /nfs/dbraw/zinc/48/30/47/608483047.db2.gz OGFZVLQBZGPNHW-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM O=C(Cc1ccc2ccccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826422604 608483548 /nfs/dbraw/zinc/48/35/48/608483548.db2.gz FPNRRUZFMBOXGH-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(Cc1ccc2ccccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826422604 608483549 /nfs/dbraw/zinc/48/35/49/608483549.db2.gz FPNRRUZFMBOXGH-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826400525 608487251 /nfs/dbraw/zinc/48/72/51/608487251.db2.gz AUMMXBTXJMQKEJ-VURMDHGXSA-N -1 3 397.891 3.911 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826400525 608487252 /nfs/dbraw/zinc/48/72/52/608487252.db2.gz AUMMXBTXJMQKEJ-VURMDHGXSA-N -1 3 397.891 3.911 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826305776 608490306 /nfs/dbraw/zinc/49/03/06/608490306.db2.gz IFBGPRBWRWGDRV-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826305776 608490308 /nfs/dbraw/zinc/49/03/08/608490308.db2.gz IFBGPRBWRWGDRV-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824532893 608491787 /nfs/dbraw/zinc/49/17/87/608491787.db2.gz XSPOHKNHQRTSPI-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826167234 608526457 /nfs/dbraw/zinc/52/64/57/608526457.db2.gz VJLTUWBWFBTMCN-UHFFFAOYSA-N -1 3 378.263 3.814 20 0 GHADHM CC(C)(F)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000824162837 608531348 /nfs/dbraw/zinc/53/13/48/608531348.db2.gz QJNKKTNJHHKEOB-UHFFFAOYSA-N -1 3 375.791 3.999 20 0 GHADHM CC(C)(F)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000824162837 608531349 /nfs/dbraw/zinc/53/13/49/608531349.db2.gz QJNKKTNJHHKEOB-UHFFFAOYSA-N -1 3 375.791 3.999 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000825830552 608575372 /nfs/dbraw/zinc/57/53/72/608575372.db2.gz VUTIASZHTXOKCR-AWEZNQCLSA-N -1 3 395.772 3.896 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000825830552 608575373 /nfs/dbraw/zinc/57/53/73/608575373.db2.gz VUTIASZHTXOKCR-AWEZNQCLSA-N -1 3 395.772 3.896 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826409112 608588262 /nfs/dbraw/zinc/58/82/62/608588262.db2.gz JEQCBTUYHTXHIE-UHFFFAOYSA-N -1 3 398.373 3.521 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826409112 608588264 /nfs/dbraw/zinc/58/82/64/608588264.db2.gz JEQCBTUYHTXHIE-UHFFFAOYSA-N -1 3 398.373 3.521 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000825333465 608591209 /nfs/dbraw/zinc/59/12/09/608591209.db2.gz ZKRIOORWRDNTCE-UHFFFAOYSA-N -1 3 389.463 3.741 20 0 GHADHM Fc1c(CSc2ncnc3sc4c(c32)CCC4)cccc1-c1nnn[n-]1 ZINC000826371360 608670110 /nfs/dbraw/zinc/67/01/10/608670110.db2.gz CTHYPQGZYOLEEA-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM Fc1c(CSc2ncnc3sc4c(c32)CCC4)cccc1-c1nn[n-]n1 ZINC000826371360 608670111 /nfs/dbraw/zinc/67/01/11/608670111.db2.gz CTHYPQGZYOLEEA-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM CC(C)[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000824206687 608670846 /nfs/dbraw/zinc/67/08/46/608670846.db2.gz GNDIGBXSHRVQPQ-MRXNPFEDSA-N -1 3 394.328 3.977 20 0 GHADHM CC(C)[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000824206687 608670850 /nfs/dbraw/zinc/67/08/50/608670850.db2.gz GNDIGBXSHRVQPQ-MRXNPFEDSA-N -1 3 394.328 3.977 20 0 GHADHM Clc1ccc([C@@H]2CSCCN2Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826351603 608714212 /nfs/dbraw/zinc/71/42/12/608714212.db2.gz SJFBQVSVJAOJNV-AWEZNQCLSA-N -1 3 377.926 3.872 20 0 GHADHM Clc1ccc([C@@H]2CSCCN2Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826351603 608714213 /nfs/dbraw/zinc/71/42/13/608714213.db2.gz SJFBQVSVJAOJNV-AWEZNQCLSA-N -1 3 377.926 3.872 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826408684 608822425 /nfs/dbraw/zinc/82/24/25/608822425.db2.gz RAZXZTWOGNSLDS-GOSISDBHSA-N -1 3 391.456 3.589 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826408684 608822428 /nfs/dbraw/zinc/82/24/28/608822428.db2.gz RAZXZTWOGNSLDS-GOSISDBHSA-N -1 3 391.456 3.589 20 0 GHADHM COc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826201706 609151255 /nfs/dbraw/zinc/15/12/55/609151255.db2.gz BXLOWPCUPJTUMB-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826201706 609151256 /nfs/dbraw/zinc/15/12/56/609151256.db2.gz BXLOWPCUPJTUMB-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826454058 609159271 /nfs/dbraw/zinc/15/92/71/609159271.db2.gz IHLYIEMXKCQFIP-XAVKZTDYSA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826454058 609159273 /nfs/dbraw/zinc/15/92/73/609159273.db2.gz IHLYIEMXKCQFIP-XAVKZTDYSA-N -1 3 378.411 3.716 20 0 GHADHM CC(=O)Nc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1Cl ZINC000824000197 609164056 /nfs/dbraw/zinc/16/40/56/609164056.db2.gz YXOPYPMIHKFSPU-KRWDZBQOSA-N -1 3 382.855 3.968 20 0 GHADHM CC(=O)Nc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1Cl ZINC000824000197 609164057 /nfs/dbraw/zinc/16/40/57/609164057.db2.gz YXOPYPMIHKFSPU-KRWDZBQOSA-N -1 3 382.855 3.968 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc(CC)ccc12 ZINC000825481356 609178392 /nfs/dbraw/zinc/17/83/92/609178392.db2.gz XSAWTLKPRACKFB-UHFFFAOYSA-N -1 3 390.447 3.579 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657178 609236292 /nfs/dbraw/zinc/23/62/92/609236292.db2.gz PFFPPKACWYPVJH-OAHLLOKOSA-N -1 3 379.464 3.845 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657178 609236293 /nfs/dbraw/zinc/23/62/93/609236293.db2.gz PFFPPKACWYPVJH-OAHLLOKOSA-N -1 3 379.464 3.845 20 0 GHADHM CC[C@@H](c1nnc(NCc2ccc(-c3nnn[n-]3)s2)s1)c1ccccc1 ZINC000825160310 609265882 /nfs/dbraw/zinc/26/58/82/609265882.db2.gz ZKRRKOFOWHGQAB-CYBMUJFWSA-N -1 3 383.506 3.934 20 0 GHADHM CC[C@@H](c1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1)c1ccccc1 ZINC000825159357 609265982 /nfs/dbraw/zinc/26/59/82/609265982.db2.gz NXLNBEAJHNNOSS-CQSZACIVSA-N -1 3 383.506 3.934 20 0 GHADHM CC[C@@H](c1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1)c1ccccc1 ZINC000825159357 609265983 /nfs/dbraw/zinc/26/59/83/609265983.db2.gz NXLNBEAJHNNOSS-CQSZACIVSA-N -1 3 383.506 3.934 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cnn1C1CCCCC1 ZINC000826234670 609269485 /nfs/dbraw/zinc/26/94/85/609269485.db2.gz IQVPPJXGIYNKBV-UHFFFAOYSA-N -1 3 397.508 3.679 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cnn1C1CCCCC1 ZINC000826234670 609269487 /nfs/dbraw/zinc/26/94/87/609269487.db2.gz IQVPPJXGIYNKBV-UHFFFAOYSA-N -1 3 397.508 3.679 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992208 609276392 /nfs/dbraw/zinc/27/63/92/609276392.db2.gz KRRCMIUIFQILDD-OWCLPIDISA-N -1 3 378.480 3.653 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992208 609276394 /nfs/dbraw/zinc/27/63/94/609276394.db2.gz KRRCMIUIFQILDD-OWCLPIDISA-N -1 3 378.480 3.653 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662409 609279204 /nfs/dbraw/zinc/27/92/04/609279204.db2.gz JLDMZICDQGBWII-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662409 609279206 /nfs/dbraw/zinc/27/92/06/609279206.db2.gz JLDMZICDQGBWII-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826363406 609297223 /nfs/dbraw/zinc/29/72/23/609297223.db2.gz KYJGXLDQQKYNRM-KRWDZBQOSA-N -1 3 384.871 3.616 20 0 GHADHM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826363406 609297225 /nfs/dbraw/zinc/29/72/25/609297225.db2.gz KYJGXLDQQKYNRM-KRWDZBQOSA-N -1 3 384.871 3.616 20 0 GHADHM O=C(NCc1cccs1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443099 609304888 /nfs/dbraw/zinc/30/48/88/609304888.db2.gz ADLQWXIQAWHYIH-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM O=C(NCc1cccs1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826443099 609304889 /nfs/dbraw/zinc/30/48/89/609304889.db2.gz ADLQWXIQAWHYIH-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000825108600 609322202 /nfs/dbraw/zinc/32/22/02/609322202.db2.gz XRIYDJJJPNBMIU-WCQYABFASA-N -1 3 384.406 3.676 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000825108600 609322203 /nfs/dbraw/zinc/32/22/03/609322203.db2.gz XRIYDJJJPNBMIU-WCQYABFASA-N -1 3 384.406 3.676 20 0 GHADHM COc1ccc(COc2cccc(Oc3cccnc3)c2)cc1-c1nnn[n-]1 ZINC000826207544 609329480 /nfs/dbraw/zinc/32/94/80/609329480.db2.gz SHWQSEHSMFFLQQ-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM COc1ccc(COc2cccc(Oc3cccnc3)c2)cc1-c1nn[n-]n1 ZINC000826207544 609329482 /nfs/dbraw/zinc/32/94/82/609329482.db2.gz SHWQSEHSMFFLQQ-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM Cc1noc(C)c1COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826339066 609354958 /nfs/dbraw/zinc/35/49/58/609354958.db2.gz QBCRRCIMSWBQTC-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM Cc1noc(C)c1COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826339066 609354961 /nfs/dbraw/zinc/35/49/61/609354961.db2.gz QBCRRCIMSWBQTC-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1cccc(F)c1F ZINC000824612325 609367913 /nfs/dbraw/zinc/36/79/13/609367913.db2.gz MZGZBMUHZNZIPZ-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(F)c1F ZINC000824612325 609367914 /nfs/dbraw/zinc/36/79/14/609367914.db2.gz MZGZBMUHZNZIPZ-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000826272890 609374083 /nfs/dbraw/zinc/37/40/83/609374083.db2.gz GGIBXXSZGQGTJX-UHFFFAOYSA-N -1 3 379.445 3.769 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826272890 609374086 /nfs/dbraw/zinc/37/40/86/609374086.db2.gz GGIBXXSZGQGTJX-UHFFFAOYSA-N -1 3 379.445 3.769 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825107419 609383120 /nfs/dbraw/zinc/38/31/20/609383120.db2.gz NTCXTQMMWWKNNT-XJKSGUPXSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825107419 609383122 /nfs/dbraw/zinc/38/31/22/609383122.db2.gz NTCXTQMMWWKNNT-XJKSGUPXSA-N -1 3 392.891 3.625 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)n1 ZINC000825740583 609424919 /nfs/dbraw/zinc/42/49/19/609424919.db2.gz VLEPVBPSDCXYKC-CQSZACIVSA-N -1 3 395.536 3.543 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)n1 ZINC000825740583 609424921 /nfs/dbraw/zinc/42/49/21/609424921.db2.gz VLEPVBPSDCXYKC-CQSZACIVSA-N -1 3 395.536 3.543 20 0 GHADHM COc1ccc(C)cc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826190025 609444049 /nfs/dbraw/zinc/44/40/49/609444049.db2.gz NKRXSALHXVEJCM-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825232407 609450558 /nfs/dbraw/zinc/45/05/58/609450558.db2.gz GUAWWNHPEXMOJU-VHSXEESVSA-N -1 3 387.431 3.671 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825232407 609450559 /nfs/dbraw/zinc/45/05/59/609450559.db2.gz GUAWWNHPEXMOJU-VHSXEESVSA-N -1 3 387.431 3.671 20 0 GHADHM O=C1c2ccccc2C[C@H]1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826483735 609452222 /nfs/dbraw/zinc/45/22/22/609452222.db2.gz YHZDBWSPQZHGGU-CQSZACIVSA-N -1 3 376.363 3.785 20 0 GHADHM O=C1c2ccccc2C[C@H]1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826483735 609452224 /nfs/dbraw/zinc/45/22/24/609452224.db2.gz YHZDBWSPQZHGGU-CQSZACIVSA-N -1 3 376.363 3.785 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000826176625 609457186 /nfs/dbraw/zinc/45/71/86/609457186.db2.gz WSXOPOHPGIYHAI-UHFFFAOYSA-N -1 3 389.202 3.918 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000826176625 609457188 /nfs/dbraw/zinc/45/71/88/609457188.db2.gz WSXOPOHPGIYHAI-UHFFFAOYSA-N -1 3 389.202 3.918 20 0 GHADHM Fc1c(CNc2ccccc2OC[C@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC000826370641 609476503 /nfs/dbraw/zinc/47/65/03/609476503.db2.gz BOWGXAFDVZQLMN-OAHLLOKOSA-N -1 3 383.427 3.566 20 0 GHADHM Fc1c(CNc2ccccc2OC[C@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC000826370641 609476505 /nfs/dbraw/zinc/47/65/05/609476505.db2.gz BOWGXAFDVZQLMN-OAHLLOKOSA-N -1 3 383.427 3.566 20 0 GHADHM Cc1n[nH]cc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826322635 609484158 /nfs/dbraw/zinc/48/41/58/609484158.db2.gz UYCUNHDIBZZBJF-UHFFFAOYSA-N -1 3 395.854 3.743 20 0 GHADHM C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824925067 609487215 /nfs/dbraw/zinc/48/72/15/609487215.db2.gz AJZSZPBHSCKMMN-LIRRHRJNSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824925067 609487216 /nfs/dbraw/zinc/48/72/16/609487216.db2.gz AJZSZPBHSCKMMN-LIRRHRJNSA-N -1 3 377.448 3.820 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C12CCC(CC1)C2 ZINC000826454572 609500559 /nfs/dbraw/zinc/50/05/59/609500559.db2.gz BDKNGVAWRRQBEX-UHFFFAOYSA-N -1 3 389.459 3.965 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C12CCC(CC1)C2 ZINC000826454572 609500560 /nfs/dbraw/zinc/50/05/60/609500560.db2.gz BDKNGVAWRRQBEX-UHFFFAOYSA-N -1 3 389.459 3.965 20 0 GHADHM O=C(NC[C@@H]1CCCCS1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826435383 609513335 /nfs/dbraw/zinc/51/33/35/609513335.db2.gz NARPZQHBIFAOCN-AWEZNQCLSA-N -1 3 379.489 3.549 20 0 GHADHM O=C(NC[C@@H]1CCCCS1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826435383 609513336 /nfs/dbraw/zinc/51/33/36/609513336.db2.gz NARPZQHBIFAOCN-AWEZNQCLSA-N -1 3 379.489 3.549 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCO1 ZINC000825182892 609532046 /nfs/dbraw/zinc/53/20/46/609532046.db2.gz MDOLPLPOBUJQLI-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCO1 ZINC000825182892 609532048 /nfs/dbraw/zinc/53/20/48/609532048.db2.gz MDOLPLPOBUJQLI-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Br)c1Cl ZINC000826278760 609541963 /nfs/dbraw/zinc/54/19/63/609541963.db2.gz QZXWKWSYZMGDPK-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Br)c1Cl ZINC000826278760 609541965 /nfs/dbraw/zinc/54/19/65/609541965.db2.gz QZXWKWSYZMGDPK-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](COCC(C)C)c2ccco2)c1-c1nnn[n-]1 ZINC000826238763 609545165 /nfs/dbraw/zinc/54/51/65/609545165.db2.gz OZJNPBODHVRDPE-CYBMUJFWSA-N -1 3 376.848 3.642 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](COCC(C)C)c2ccco2)c1-c1nn[n-]n1 ZINC000826238763 609545166 /nfs/dbraw/zinc/54/51/66/609545166.db2.gz OZJNPBODHVRDPE-CYBMUJFWSA-N -1 3 376.848 3.642 20 0 GHADHM Cc1ccnc(NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826314469 609574980 /nfs/dbraw/zinc/57/49/80/609574980.db2.gz YELMYBINSXMVDO-UHFFFAOYSA-N -1 3 395.467 3.572 20 0 GHADHM Cc1ccnc(NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826314469 609574982 /nfs/dbraw/zinc/57/49/82/609574982.db2.gz YELMYBINSXMVDO-UHFFFAOYSA-N -1 3 395.467 3.572 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826238602 609575587 /nfs/dbraw/zinc/57/55/87/609575587.db2.gz KICZSMCHFAFSEM-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826238602 609575589 /nfs/dbraw/zinc/57/55/89/609575589.db2.gz KICZSMCHFAFSEM-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826239354 609575951 /nfs/dbraw/zinc/57/59/51/609575951.db2.gz DXVBDGZIVNMGOE-GFCCVEGCSA-N -1 3 386.868 3.584 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826239354 609575953 /nfs/dbraw/zinc/57/59/53/609575953.db2.gz DXVBDGZIVNMGOE-GFCCVEGCSA-N -1 3 386.868 3.584 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000173291944 837614020 /nfs/dbraw/zinc/61/40/20/837614020.db2.gz FMDFDMIWAGVDDR-LJQANCHMSA-N -1 3 377.444 3.946 20 0 GHADHM C[C@@H](CN(Cc1ccc(I)cc1Cl)C1CC1)C(=O)[O-] ZINC000583505670 834521270 /nfs/dbraw/zinc/52/12/70/834521270.db2.gz OKFIRODIKQVEBR-VIFPVBQESA-N -1 3 393.652 3.630 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2c1CCCC2)c1nc(C2CC2)no1 ZINC000748060242 834581693 /nfs/dbraw/zinc/58/16/93/834581693.db2.gz VKAVBDHBHGBNDT-KRWDZBQOSA-N -1 3 375.494 3.501 20 0 GHADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000050867625 834593086 /nfs/dbraw/zinc/59/30/86/834593086.db2.gz NZDJYKLQULIYBK-VGSWGCGISA-N -1 3 376.456 3.768 20 0 GHADHM CCCCc1nc(NC(=O)c2cncc(C(F)(F)F)c2)c(C(=O)OCC)[n-]1 ZINC000583587745 834702830 /nfs/dbraw/zinc/70/28/30/834702830.db2.gz ABUMDKKUELXGAK-UHFFFAOYSA-N -1 3 384.358 3.595 20 0 GHADHM CCc1cccc(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c1[O-] ZINC000094099222 834722795 /nfs/dbraw/zinc/72/27/95/834722795.db2.gz ZPPIWAKGWXREAB-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 ZINC000197969726 834850363 /nfs/dbraw/zinc/85/03/63/834850363.db2.gz ZKFYFFSDKLUGMK-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000683171059 834900620 /nfs/dbraw/zinc/90/06/20/834900620.db2.gz FXEKPCYWWUSLOI-KRWDZBQOSA-N -1 3 391.851 3.816 20 0 GHADHM O=C([O-])[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(Br)c1 ZINC000683172728 834915557 /nfs/dbraw/zinc/91/55/57/834915557.db2.gz CLEKDBWQMSKHPV-QGZVFWFLSA-N -1 3 386.249 3.755 20 0 GHADHM COc1cc(C)c(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000683174571 834919937 /nfs/dbraw/zinc/91/99/37/834919937.db2.gz PRHCPFMGVJUJIQ-KRWDZBQOSA-N -1 3 394.265 3.690 20 0 GHADHM O=C(NCc1cccc2c1OCO2)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000052562439 834991656 /nfs/dbraw/zinc/99/16/56/834991656.db2.gz PUMUROXSYYSVPC-UHFFFAOYSA-N -1 3 389.626 3.597 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000536127440 835036207 /nfs/dbraw/zinc/03/62/07/835036207.db2.gz OWOFUTRJYCRADN-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(OCc3ccccn3)c(F)c2)c2ccccc21 ZINC000176915756 835104135 /nfs/dbraw/zinc/10/41/35/835104135.db2.gz HAFQYJRNRZIMIT-LDADJPATSA-N -1 3 389.386 3.523 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1nc(C(F)(F)F)cs1 ZINC000278462091 835144581 /nfs/dbraw/zinc/14/45/81/835144581.db2.gz XYZKOYCEVKRRGG-ZETCQYMHSA-N -1 3 386.367 3.621 20 0 GHADHM COc1cccc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000509859697 844042531 /nfs/dbraw/zinc/04/25/31/844042531.db2.gz IXXFMAMGDFYDFW-UHFFFAOYSA-N -1 3 378.432 3.830 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)OCCc2sccc21 ZINC000566826927 835470033 /nfs/dbraw/zinc/47/00/33/835470033.db2.gz VYKWRTZRWZHFSW-HNNXBMFYSA-N -1 3 392.329 3.821 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151526869 835493151 /nfs/dbraw/zinc/49/31/51/835493151.db2.gz RDFGTGLHTFAQAL-LLVKDONJSA-N -1 3 396.306 3.960 20 0 GHADHM Cc1nc(-c2c[nH]c(C(=O)NCc3ccc([O-])c(Br)c3)c2)cs1 ZINC000151533929 835509649 /nfs/dbraw/zinc/50/96/49/835509649.db2.gz XZVQNMZXMJPBFN-UHFFFAOYSA-N -1 3 392.278 3.845 20 0 GHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151558027 835524927 /nfs/dbraw/zinc/52/49/27/835524927.db2.gz CNYZBMBNMKWKIB-GJZGRUSLSA-N -1 3 376.250 3.583 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cccnc1C(F)(F)F ZINC000584071208 835547196 /nfs/dbraw/zinc/54/71/96/835547196.db2.gz TZTWCSQNFDHJGH-LLVKDONJSA-N -1 3 392.399 3.755 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1SCCc2sccc21 ZINC000151613020 835655971 /nfs/dbraw/zinc/65/59/71/835655971.db2.gz ZZGUCNVIEITYFY-AWEZNQCLSA-N -1 3 384.320 3.863 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cc(C(F)(F)F)ccc1F ZINC000547715535 835667088 /nfs/dbraw/zinc/66/70/88/835667088.db2.gz CBKSCYXMIBBDFH-CYBMUJFWSA-N -1 3 393.333 3.786 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000151650838 835689673 /nfs/dbraw/zinc/68/96/73/835689673.db2.gz TVMYBBWVMCDOOG-OLZOCXBDSA-N -1 3 382.204 3.853 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c[nH]c1=O ZINC000683260676 835776472 /nfs/dbraw/zinc/77/64/72/835776472.db2.gz AULCGKXABRXEJN-UHFFFAOYSA-N -1 3 387.395 3.982 20 0 GHADHM CSc1ccc([C@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N(C)C)cc1 ZINC000579876219 835830375 /nfs/dbraw/zinc/83/03/75/835830375.db2.gz XFRZUDXSRFQHPD-AWEZNQCLSA-N -1 3 384.423 3.564 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2Cl)s1 ZINC000014714234 835958960 /nfs/dbraw/zinc/95/89/60/835958960.db2.gz SXPRTTGPGLHROQ-UHFFFAOYSA-N -1 3 387.914 3.580 20 0 GHADHM Cc1oc(-c2ccco2)nc1CC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000512540811 844111122 /nfs/dbraw/zinc/11/11/22/844111122.db2.gz OWWJVYKEKMXFDQ-UHFFFAOYSA-N -1 3 376.416 3.853 20 0 GHADHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1F ZINC000513035225 844133007 /nfs/dbraw/zinc/13/30/07/844133007.db2.gz DDHZVACGELSVCS-CZUORRHYSA-N -1 3 383.872 3.925 20 0 GHADHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1F ZINC000513035223 844133256 /nfs/dbraw/zinc/13/32/56/844133256.db2.gz DDHZVACGELSVCS-BBRMVZONSA-N -1 3 383.872 3.925 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CCNCc1c(F)ccc([O-])c1F ZINC000511497747 836241323 /nfs/dbraw/zinc/24/13/23/836241323.db2.gz ZRGNYNVZKBRIGG-UHFFFAOYSA-N -1 3 384.810 3.759 20 0 GHADHM CO[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000509896745 844147713 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O=c1cc(C(F)(F)F)nc(C[S@](=O)[C@@H]2CCc3c2cccc3Cl)[n-]1 ZINC000155264182 836691197 /nfs/dbraw/zinc/69/11/97/836691197.db2.gz ZMLDZOZBYXXPBT-YDGUKXNOSA-N -1 3 376.787 3.791 20 0 GHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c1 ZINC000430368277 836827386 /nfs/dbraw/zinc/82/73/86/836827386.db2.gz FKEXMNGQCYHKGX-UHFFFAOYSA-N -1 3 380.897 3.920 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c(CC(C)C)csc3[n-]2)cc1 ZINC000612912904 836957905 /nfs/dbraw/zinc/95/79/05/836957905.db2.gz APCJQHFDYJHUQF-UHFFFAOYSA-N -1 3 376.503 3.878 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)C(C)(C)C)cc1OC ZINC000431708457 837023599 /nfs/dbraw/zinc/02/35/99/837023599.db2.gz CNYSTSXJYQWMRV-UHFFFAOYSA-N -1 3 385.530 3.651 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCCC1)c1cc(Br)ccc1F ZINC000109818336 837105766 /nfs/dbraw/zinc/10/57/66/837105766.db2.gz PUWAIYNVUUWEAG-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000510265065 837167194 /nfs/dbraw/zinc/16/71/94/837167194.db2.gz CKDWQBZEXYTLSN-INIZCTEOSA-N -1 3 399.454 3.617 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000510265065 837167200 /nfs/dbraw/zinc/16/72/00/837167200.db2.gz CKDWQBZEXYTLSN-INIZCTEOSA-N -1 3 399.454 3.617 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCCC3)cc1NC(C)=O ZINC000650218155 837170745 /nfs/dbraw/zinc/17/07/45/837170745.db2.gz UBKJVJQULFKBJW-UHFFFAOYSA-N -1 3 388.489 3.723 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CCC[C@H](O)C2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000644101500 837314281 /nfs/dbraw/zinc/31/42/81/837314281.db2.gz MJDZOLFSEPSDHF-RISCZKNCSA-N -1 3 390.896 3.818 20 0 GHADHM O=C(NCc1cccc(COCc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000431754560 837330818 /nfs/dbraw/zinc/33/08/18/837330818.db2.gz ABHSVXNGRBEJGZ-UHFFFAOYSA-N -1 3 390.418 3.744 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000186733000 837374776 /nfs/dbraw/zinc/37/47/76/837374776.db2.gz DUQIKBBXUMTEMI-QMMMGPOBSA-N -1 3 382.404 3.691 20 0 GHADHM CCc1ccccc1Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000683599801 837914151 /nfs/dbraw/zinc/91/41/51/837914151.db2.gz SYDDFIJKJHLBAB-HNNXBMFYSA-N -1 3 385.489 3.571 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCSc4ccccc43)cc2)n1 ZINC000607809194 838048962 /nfs/dbraw/zinc/04/89/62/838048962.db2.gz GDYWQXZGRKHZHE-QGZVFWFLSA-N -1 3 377.469 3.963 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cccc4n[n-]nc43)s2)cc1 ZINC000187975591 838300484 /nfs/dbraw/zinc/30/04/84/838300484.db2.gz OHMOFFFJFDJUTO-LLVKDONJSA-N -1 3 393.472 3.889 20 0 GHADHM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000430470107 838424066 /nfs/dbraw/zinc/42/40/66/838424066.db2.gz GCTRJFSQJDWXDP-ZBFHGGJFSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(NCc1ncccc1[O-])NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000471483272 838435309 /nfs/dbraw/zinc/43/53/09/838435309.db2.gz AWQJBKYNMKJZEP-SFHVURJKSA-N -1 3 386.455 3.900 20 0 GHADHM Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c([O-])c1 ZINC000618363844 838503155 /nfs/dbraw/zinc/50/31/55/838503155.db2.gz AJGAEGCIHLVQKJ-MRXNPFEDSA-N -1 3 376.250 3.677 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000188154267 838558283 /nfs/dbraw/zinc/55/82/83/838558283.db2.gz ZNBNNTFCXQEDNV-JSGCOSHPSA-N -1 3 393.864 3.797 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000188154246 838558300 /nfs/dbraw/zinc/55/83/00/838558300.db2.gz ZNBNNTFCXQEDNV-OCCSQVGLSA-N -1 3 393.864 3.797 20 0 GHADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1c(Cl)cccc1Cl ZINC000110246047 844342753 /nfs/dbraw/zinc/34/27/53/844342753.db2.gz QOTBFCGNGJZIGU-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCCc2cc(Cl)sc2Cl)[n-]1 ZINC000617874051 838598033 /nfs/dbraw/zinc/59/80/33/838598033.db2.gz XOTSOKIKUJDHNP-UHFFFAOYSA-N -1 3 376.265 3.916 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCCc2cc(Cl)sc2Cl)c[n-]1 ZINC000617874051 838598041 /nfs/dbraw/zinc/59/80/41/838598041.db2.gz XOTSOKIKUJDHNP-UHFFFAOYSA-N -1 3 376.265 3.916 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)CCC(C)C)c2)cc1 ZINC000115240614 838660441 /nfs/dbraw/zinc/66/04/41/838660441.db2.gz HDKGGZWDHLTHIV-UHFFFAOYSA-N -1 3 390.505 3.548 20 0 GHADHM CC(C)[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccccc2N1 ZINC000431858712 838663406 /nfs/dbraw/zinc/66/34/06/838663406.db2.gz LDJFPUFXPGEIHU-QGZVFWFLSA-N -1 3 383.398 3.903 20 0 GHADHM CC[C@@H](CC(F)F)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000659790069 838670288 /nfs/dbraw/zinc/67/02/88/838670288.db2.gz WLYMYSGAKINITD-IINYFYTJSA-N -1 3 376.241 3.942 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N=c3[nH]n([C@@H](C)c4ccccc4)cc3C)n[n-]2)o1 ZINC000472946895 838680758 /nfs/dbraw/zinc/68/07/58/838680758.db2.gz AWYJZCNSVZWZMP-HNNXBMFYSA-N -1 3 375.432 3.767 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N=c3[nH]n([C@H](C)c4ccccc4)cc3C)n[n-]2)o1 ZINC000472946896 838680877 /nfs/dbraw/zinc/68/08/77/838680877.db2.gz AWYJZCNSVZWZMP-OAHLLOKOSA-N -1 3 375.432 3.767 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1OC)c1nc(C(F)(F)F)cs1 ZINC000659919752 838690481 /nfs/dbraw/zinc/69/04/81/838690481.db2.gz FTEYKHODDZCJIA-SECBINFHSA-N -1 3 398.403 3.739 20 0 GHADHM C[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097660 838711216 /nfs/dbraw/zinc/71/12/16/838711216.db2.gz BLZCVXFWJWILQQ-DDTOSNHZSA-N -1 3 397.306 3.799 20 0 GHADHM C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@]1(C)C(=O)[O-] ZINC000580085181 838836465 /nfs/dbraw/zinc/83/64/65/838836465.db2.gz DPBAXKPMGDTRCU-BMIGLBTASA-N -1 3 376.678 3.524 20 0 GHADHM Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000182882785 838843198 /nfs/dbraw/zinc/84/31/98/838843198.db2.gz LVIWKYATXBGILL-JOCHJYFZSA-N -1 3 388.467 3.878 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893215517 838969397 /nfs/dbraw/zinc/96/93/97/838969397.db2.gz HTTLVOOWSPEUKE-MRXNPFEDSA-N -1 3 389.455 3.520 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000628292361 838970447 /nfs/dbraw/zinc/97/04/47/838970447.db2.gz ZKQHOJGCXWAKLT-DEZRYOJYSA-N -1 3 392.499 3.806 20 0 GHADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183448724 838993465 /nfs/dbraw/zinc/99/34/65/838993465.db2.gz GSXIHNRSMHEMMD-GOSISDBHSA-N -1 3 385.464 3.982 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CC=CCC1 ZINC000183472139 838999156 /nfs/dbraw/zinc/99/91/56/838999156.db2.gz ZSKCIMWNVLVNPS-UTKZUKDTSA-N -1 3 378.472 3.726 20 0 GHADHM CCn1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1=O ZINC000047211669 839061533 /nfs/dbraw/zinc/06/15/33/839061533.db2.gz LYNORRFBQIKXFW-UHFFFAOYSA-N -1 3 375.277 3.593 20 0 GHADHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000182413447 839063919 /nfs/dbraw/zinc/06/39/19/839063919.db2.gz YLNUQTFXDPEFBZ-UHFFFAOYSA-N -1 3 385.392 3.803 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[O-] ZINC000613654032 839150839 /nfs/dbraw/zinc/15/08/39/839150839.db2.gz YZJKULJTVAFRLE-MSOLQXFVSA-N -1 3 394.254 3.632 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1F)c1c(Cl)cccc1Br ZINC000312769092 839213737 /nfs/dbraw/zinc/21/37/37/839213737.db2.gz CBAPAMVBTTWJMB-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CC3)C(F)(F)C4(F)F)nc2)n1 ZINC000651388842 839305865 /nfs/dbraw/zinc/30/58/65/839305865.db2.gz STPGJFRBOORKBV-UHFFFAOYSA-N -1 3 382.361 3.677 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000416501825 839323704 /nfs/dbraw/zinc/32/37/04/839323704.db2.gz JGEAINRLOVOQHF-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000025424530 844424894 /nfs/dbraw/zinc/42/48/94/844424894.db2.gz GOSLHZSXBFLVBS-OAHLLOKOSA-N -1 3 390.505 3.723 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ncc(Br)cc1Br ZINC000184244734 839460046 /nfs/dbraw/zinc/46/00/46/839460046.db2.gz JXUHODFRNMVZBU-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000416599506 839479012 /nfs/dbraw/zinc/47/90/12/839479012.db2.gz WHQFIFQFVJEDTB-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000024043024 839507985 /nfs/dbraw/zinc/50/79/85/839507985.db2.gz GYIYIXGHXOOBKM-UHFFFAOYSA-N -1 3 384.860 3.810 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)[C@H]1CC1(C)C ZINC000416654277 839510017 /nfs/dbraw/zinc/51/00/17/839510017.db2.gz UUVAPWXTEAHOKK-MFKMUULPSA-N -1 3 376.881 3.541 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ncccc3F)cc2)cc1 ZINC000471577839 839554288 /nfs/dbraw/zinc/55/42/88/839554288.db2.gz MHFATOSWLSCFQN-UHFFFAOYSA-N -1 3 399.447 3.511 20 0 GHADHM CC(C)Cn1ncc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1C(C)C ZINC000580453036 839582089 /nfs/dbraw/zinc/58/20/89/839582089.db2.gz LGWICBDPXLLURX-UHFFFAOYSA-N -1 3 391.537 3.582 20 0 GHADHM CCC1(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1 ZINC000471603207 839923163 /nfs/dbraw/zinc/92/31/63/839923163.db2.gz RRCWLWHHBPVAKB-UHFFFAOYSA-N -1 3 383.514 3.549 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1)C(C)C ZINC000647131833 840118165 /nfs/dbraw/zinc/11/81/65/840118165.db2.gz IRIXVIBQFUPROC-HNNXBMFYSA-N -1 3 388.486 3.796 20 0 GHADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(/C=C\c4ccco4)s3)nn2)c1 ZINC000684058251 840209211 /nfs/dbraw/zinc/20/92/11/840209211.db2.gz ZAQMQBHMYMITDM-PLNGDYQASA-N -1 3 396.407 3.582 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1 ZINC000055674131 840400045 /nfs/dbraw/zinc/40/00/45/840400045.db2.gz SQLIPNKWFAIKMP-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM Cn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccccc1F ZINC000364014433 840449550 /nfs/dbraw/zinc/44/95/50/840449550.db2.gz QRYOPJVCCHQMPD-UHFFFAOYSA-N -1 3 383.408 3.669 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000047215558 840678059 /nfs/dbraw/zinc/67/80/59/840678059.db2.gz OIPKENNDBGVKNK-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000299736610 840721138 /nfs/dbraw/zinc/72/11/38/840721138.db2.gz ZRYWFEYDJSSOCG-OEYXZAGESA-N -1 3 377.425 3.666 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000581137433 840780583 /nfs/dbraw/zinc/78/05/83/840780583.db2.gz SIFFLZKVLXBEDH-HXUWFJFHSA-N -1 3 383.835 3.618 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C(C)=C\c2ccc(C)cc2)cc1OC ZINC000588399375 840792503 /nfs/dbraw/zinc/79/25/03/840792503.db2.gz ANMGLUGBYIZQHE-QINSGFPZSA-N -1 3 388.489 3.807 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@H]1CCOc2ccccc21 ZINC000610486341 840844227 /nfs/dbraw/zinc/84/42/27/840844227.db2.gz SDRPOABPCTYIFW-LBPRGKRZSA-N -1 3 395.196 3.502 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(I)ccc1[O-] ZINC000610486415 840851312 /nfs/dbraw/zinc/85/13/12/840851312.db2.gz WNISZPPOBXLOSF-HZMBPMFUSA-N -1 3 389.233 3.531 20 0 GHADHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000510369104 840852554 /nfs/dbraw/zinc/85/25/54/840852554.db2.gz KBJYFXBCKCJEAN-BXUZGUMPSA-N -1 3 391.320 3.994 20 0 GHADHM CCc1nc(C)c(C(=O)Nc2cc(I)ccc2[O-])s1 ZINC000610491236 840967532 /nfs/dbraw/zinc/96/75/32/840967532.db2.gz ZJLJDHMVKWTOOU-UHFFFAOYSA-N -1 3 388.230 3.576 20 0 GHADHM COCCCOc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000432186674 840968588 /nfs/dbraw/zinc/96/85/88/840968588.db2.gz MNXJJFXDPTVWCG-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])C1(c2cccc(F)c2)CC1 ZINC000610490724 840976783 /nfs/dbraw/zinc/97/67/83/840976783.db2.gz WIZREOCAXZEYES-UHFFFAOYSA-N -1 3 397.187 3.806 20 0 GHADHM COCCOCc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000417557152 841002565 /nfs/dbraw/zinc/00/25/65/841002565.db2.gz AVMFCNVHTPBDEZ-SFHVURJKSA-N -1 3 381.831 3.558 20 0 GHADHM CN(Cc1cc(Br)ccc1F)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188337034 841041891 /nfs/dbraw/zinc/04/18/91/841041891.db2.gz IEXWGDABWMVOJL-JYRVWZFOSA-N -1 3 389.224 3.859 20 0 GHADHM Cn1c(CN[C@H](CCSc2ccccc2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000417620885 841060791 /nfs/dbraw/zinc/06/07/91/841060791.db2.gz MAGCSVWJJXEDIT-MRXNPFEDSA-N -1 3 389.908 3.952 20 0 GHADHM COc1cc(Cl)c(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])cc1Cl ZINC000417615834 841067641 /nfs/dbraw/zinc/06/76/41/841067641.db2.gz DAPNSVDGVJOYNY-CYBMUJFWSA-N -1 3 392.279 3.667 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cc2ccccc2nc1N1CCCCC1)C(F)(F)F ZINC000417628279 841068685 /nfs/dbraw/zinc/06/86/85/841068685.db2.gz PBTVFILGPJCRLO-INIZCTEOSA-N -1 3 395.425 3.968 20 0 GHADHM COc1cccc(Cl)c1CNC[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000417634523 841073665 /nfs/dbraw/zinc/07/36/65/841073665.db2.gz IQZJXAORGNGVKB-NSHDSACASA-N -1 3 387.785 3.799 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc4c([nH]c3=O)CCCCC4)[nH][n-]2)c1 ZINC000558429329 841137862 /nfs/dbraw/zinc/13/78/62/841137862.db2.gz SWYLFJSBIWXYSJ-UHFFFAOYSA-N -1 3 376.460 3.737 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000549482027 841251284 /nfs/dbraw/zinc/25/12/84/841251284.db2.gz PRRFMAQBGGSXAI-UHFFFAOYSA-N -1 3 377.448 3.716 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000549482027 841251294 /nfs/dbraw/zinc/25/12/94/841251294.db2.gz PRRFMAQBGGSXAI-UHFFFAOYSA-N -1 3 377.448 3.716 20 0 GHADHM CCc1ncc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cn1 ZINC000430587400 841270827 /nfs/dbraw/zinc/27/08/27/841270827.db2.gz ZHNNUGTUEQOIDO-UHFFFAOYSA-N -1 3 386.411 3.925 20 0 GHADHM COc1cc2c(c(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)c1)O[C@H](C)C2 ZINC000124028020 841338757 /nfs/dbraw/zinc/33/87/57/841338757.db2.gz URTAERBPCIZTDU-OAHLLOKOSA-N -1 3 381.472 3.819 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)c2)n1 ZINC000049303697 841502011 /nfs/dbraw/zinc/50/20/11/841502011.db2.gz AAAWVXMIVKINPT-MOPGFXCFSA-N -1 3 377.419 3.881 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1OC ZINC000143969494 841567990 /nfs/dbraw/zinc/56/79/90/841567990.db2.gz PUKDTYFBIHSDPY-CABCVRRESA-N -1 3 395.525 3.501 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000656616698 841576111 /nfs/dbraw/zinc/57/61/11/841576111.db2.gz QIZRMOPBWKPBJW-LBPRGKRZSA-N -1 3 392.452 3.689 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C)C1CC1 ZINC000656633428 841628020 /nfs/dbraw/zinc/62/80/20/841628020.db2.gz BKLBGMLNHKPLHB-ZDUSSCGKSA-N -1 3 382.707 3.578 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000185723356 861232954 /nfs/dbraw/zinc/23/29/54/861232954.db2.gz WPKQEDOHHLVMDT-RVDMUPIBSA-N -1 3 397.272 3.910 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600197919 861236725 /nfs/dbraw/zinc/23/67/25/861236725.db2.gz UOKZZGYMUNVULB-JSGCOSHPSA-N -1 3 384.314 3.954 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1C ZINC000278833820 841873736 /nfs/dbraw/zinc/87/37/36/841873736.db2.gz ZBSRDCKQDQPNIA-UHFFFAOYSA-N -1 3 391.493 3.563 20 0 GHADHM Cc1cc(C)n(-c2ccc(CN3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)cc2)n1 ZINC000656758055 841892764 /nfs/dbraw/zinc/89/27/64/841892764.db2.gz WNUCQPCZLJNVMA-CVEARBPZSA-N -1 3 381.398 3.574 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000656767187 841899995 /nfs/dbraw/zinc/89/99/95/841899995.db2.gz DFTGQHKTZLHMSC-SJORKVTESA-N -1 3 382.298 3.856 20 0 GHADHM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1nccn1-c1ccccc1 ZINC000430658166 842219099 /nfs/dbraw/zinc/21/90/99/842219099.db2.gz WXFFRQSYQLEVQP-UHFFFAOYSA-N -1 3 392.278 3.577 20 0 GHADHM CCc1nc([C@@H]2CCCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)no1 ZINC000613940814 842251714 /nfs/dbraw/zinc/25/17/14/842251714.db2.gz XJDPKRHDPRUVTH-ZDUSSCGKSA-N -1 3 379.420 3.754 20 0 GHADHM COc1ccc2cc(/C=C/C(=O)Nc3ccccc3[N-]S(C)(=O)=O)ccc2c1 ZINC000028021237 842293687 /nfs/dbraw/zinc/29/36/87/842293687.db2.gz KDGUEMFPMWHMIF-XYOKQWHBSA-N -1 3 396.468 3.872 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccccc3Cl)nc(=O)c2c1C ZINC000007487874 842343838 /nfs/dbraw/zinc/34/38/38/842343838.db2.gz QBSPHYNWAUDVQH-SNVBAGLBSA-N -1 3 391.880 3.584 20 0 GHADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000548283501 842401538 /nfs/dbraw/zinc/40/15/38/842401538.db2.gz JSFNOLVLBZKYSH-UHFFFAOYSA-N -1 3 376.821 3.726 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000135315370 842435512 /nfs/dbraw/zinc/43/55/12/842435512.db2.gz XCCSBCWVVXKNKE-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM CC(C)N(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652393042 842438461 /nfs/dbraw/zinc/43/84/61/842438461.db2.gz USFIQYCHNYQTHS-QGZVFWFLSA-N -1 3 379.460 3.804 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652471071 842595871 /nfs/dbraw/zinc/59/58/71/842595871.db2.gz SGGFNWBSMGQRPG-FPOVZHCZSA-N -1 3 397.515 3.716 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c1Cl ZINC000511961529 842608173 /nfs/dbraw/zinc/60/81/73/842608173.db2.gz SAJYZURPJPXKQP-UHFFFAOYSA-N -1 3 396.299 3.966 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000432299943 842704648 /nfs/dbraw/zinc/70/46/48/842704648.db2.gz CNRSVWVORXJMLX-OAHLLOKOSA-N -1 3 389.443 3.554 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000027705721 842708627 /nfs/dbraw/zinc/70/86/27/842708627.db2.gz FYEIIYOPGYBKOP-XJKSGUPXSA-N -1 3 384.517 3.601 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc3c2CCCC3)cc1OC ZINC000131356600 861338211 /nfs/dbraw/zinc/33/82/11/861338211.db2.gz YIBUHZHOZSZHNP-UHFFFAOYSA-N -1 3 394.518 3.649 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC12CCCC2 ZINC000652584460 842794526 /nfs/dbraw/zinc/79/45/26/842794526.db2.gz PTXKJLXNQBXPIZ-UHFFFAOYSA-N -1 3 388.464 3.785 20 0 GHADHM CN(CCCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178269914 861347015 /nfs/dbraw/zinc/34/70/15/861347015.db2.gz YMHKEGUCYRKTLG-UHFFFAOYSA-N -1 3 377.282 3.929 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1cc(Br)ccc1Cl ZINC000581961417 842824342 /nfs/dbraw/zinc/82/43/42/842824342.db2.gz XUJGBVXVQMSDAP-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM COC[C@H](C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000663259614 842941223 /nfs/dbraw/zinc/94/12/23/842941223.db2.gz DTGXMIVGPXNBLJ-SGTLLEGYSA-N -1 3 381.831 3.808 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000663259615 842941379 /nfs/dbraw/zinc/94/13/79/842941379.db2.gz DTGXMIVGPXNBLJ-XIKOKIGWSA-N -1 3 381.831 3.808 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000637376280 842949843 /nfs/dbraw/zinc/94/98/43/842949843.db2.gz MBAYMPBLXCPNNO-LLVKDONJSA-N -1 3 395.715 3.559 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000186410515 843077962 /nfs/dbraw/zinc/07/79/62/843077962.db2.gz PCKDAYIVJWXYOV-ZDUSSCGKSA-N -1 3 394.431 3.559 20 0 GHADHM C[C@@H]1CCCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000186452251 843082023 /nfs/dbraw/zinc/08/20/23/843082023.db2.gz UWWMDJOTEMXKJV-UTKZUKDTSA-N -1 3 380.488 3.902 20 0 GHADHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c([O-])c1 ZINC000186497847 843083147 /nfs/dbraw/zinc/08/31/47/843083147.db2.gz BVTUIWYLTGRBCV-KRWDZBQOSA-N -1 3 394.240 3.816 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000548394584 843147075 /nfs/dbraw/zinc/14/70/75/843147075.db2.gz BYOSODMCVSYRIA-UHFFFAOYSA-N -1 3 382.420 3.701 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@H]2CCCC[C@@H]2C)cc1OC ZINC000512233256 843173226 /nfs/dbraw/zinc/17/32/26/843173226.db2.gz HEDBPPAIZDVQSL-LSDHHAIUSA-N -1 3 397.541 3.795 20 0 GHADHM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000512267309 843276703 /nfs/dbraw/zinc/27/67/03/843276703.db2.gz OZCABLVVRPLTOD-UHFFFAOYSA-N -1 3 386.242 3.634 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1F ZINC000471892483 843294722 /nfs/dbraw/zinc/29/47/22/843294722.db2.gz IXBVNHJOHBHHMG-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1F ZINC000471895294 843306088 /nfs/dbraw/zinc/30/60/88/843306088.db2.gz KTKLUVKUHWENPL-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000432693576 843514233 /nfs/dbraw/zinc/51/42/33/843514233.db2.gz CMMNCZIABDEBEX-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000432693576 843514243 /nfs/dbraw/zinc/51/42/43/843514243.db2.gz CMMNCZIABDEBEX-NSHDSACASA-N -1 3 386.253 3.762 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Br)c(F)c2)[n-]c1=O ZINC000432694205 843515618 /nfs/dbraw/zinc/51/56/18/843515618.db2.gz GEZKWPBYARIKOP-TWGQIWQCSA-N -1 3 381.201 3.821 20 0 GHADHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000043507520 843560479 /nfs/dbraw/zinc/56/04/79/843560479.db2.gz QPRJLBXZPDLOLO-UHFFFAOYSA-N -1 3 376.334 3.699 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000510840261 843603318 /nfs/dbraw/zinc/60/33/18/843603318.db2.gz DFUFOPPZRVGGKY-UHFFFAOYSA-N -1 3 388.309 3.522 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1csc(-c2ccccc2)n1 ZINC000500447352 843655253 /nfs/dbraw/zinc/65/52/53/843655253.db2.gz QHTSRANSCVLJFA-UHFFFAOYSA-N -1 3 396.440 3.890 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)C(F)(F)F ZINC000548474626 843843323 /nfs/dbraw/zinc/84/33/23/843843323.db2.gz ULQKKZZBMPZUIP-MRXNPFEDSA-N -1 3 388.411 3.808 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2nc3ccccc3[nH]2)[nH][n-]1 ZINC000512851212 843885349 /nfs/dbraw/zinc/88/53/49/843885349.db2.gz WIPJALCZICUMNP-UHFFFAOYSA-N -1 3 395.850 3.608 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000181080882 844691999 /nfs/dbraw/zinc/69/19/99/844691999.db2.gz GDQDJHYEKQZNJP-UHFFFAOYSA-N -1 3 393.223 3.505 20 0 GHADHM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1cccc2cccnc21 ZINC000432949779 844702007 /nfs/dbraw/zinc/70/20/07/844702007.db2.gz QBXVPXGSBVGPFN-MRXNPFEDSA-N -1 3 384.354 3.798 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)cs2)cc1 ZINC000513155303 844712313 /nfs/dbraw/zinc/71/23/13/844712313.db2.gz VVRQAEYCQDOJBR-UHFFFAOYSA-N -1 3 383.864 3.991 20 0 GHADHM CC[C@H]1CCCC[C@@H]1OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000729082658 844713481 /nfs/dbraw/zinc/71/34/81/844713481.db2.gz XZHMXXTZKTXPDS-YJBOKZPZSA-N -1 3 383.510 3.728 20 0 GHADHM O=C([O-])[C@H](CSCCOc1ccccc1)NCc1cc(Cl)ccc1F ZINC000277169071 845009666 /nfs/dbraw/zinc/00/96/66/845009666.db2.gz DPBODKKCPAKILP-KRWDZBQOSA-N -1 3 383.872 3.834 20 0 GHADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1cc(Cl)ccc1F ZINC000277169079 845010189 /nfs/dbraw/zinc/01/01/89/845010189.db2.gz DPBODKKCPAKILP-QGZVFWFLSA-N -1 3 383.872 3.834 20 0 GHADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000277169456 845015355 /nfs/dbraw/zinc/01/53/55/845015355.db2.gz DQLCQCKUSRDSTO-HNNXBMFYSA-N -1 3 394.265 3.772 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc([S@](C)=O)cc3)nc2)n1 ZINC000535889476 845038710 /nfs/dbraw/zinc/03/87/10/845038710.db2.gz XDCJLSKYAQXGME-CEXHIMGSSA-N -1 3 382.489 3.717 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000611013823 845129426 /nfs/dbraw/zinc/12/94/26/845129426.db2.gz NQEMVILKPGAKJU-SNVBAGLBSA-N -1 3 387.910 3.844 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(Cl)s1 ZINC000481497578 861545384 /nfs/dbraw/zinc/54/53/84/861545384.db2.gz VVYCQJDZNULYPE-VIFPVBQESA-N -1 3 386.709 3.720 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c(F)c1 ZINC000481498023 861550584 /nfs/dbraw/zinc/55/05/84/861550584.db2.gz WANPBSZIENLIBD-HNNXBMFYSA-N -1 3 392.279 3.594 20 0 GHADHM CC1(C)Cc2cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)sc2-c2ccccc21 ZINC000329506379 861557913 /nfs/dbraw/zinc/55/79/13/861557913.db2.gz HOYOGMLYSZSECH-UHFFFAOYSA-N -1 3 391.496 3.943 20 0 GHADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cc(Cl)ccc1Br ZINC000684658271 845442902 /nfs/dbraw/zinc/44/29/02/845442902.db2.gz WVGIBQXPVIJUEL-NSHDSACASA-N -1 3 386.698 3.721 20 0 GHADHM Cc1cc(CNCc2c(F)ccc([O-])c2F)ccc1I ZINC000513450866 845477157 /nfs/dbraw/zinc/47/71/57/845477157.db2.gz MPZXBIQVXYIEBW-UHFFFAOYSA-N -1 3 389.183 3.873 20 0 GHADHM CCc1cc2c(CSc3nncn3CC(F)(F)F)cc(=O)oc2cc1[O-] ZINC000051974476 845617776 /nfs/dbraw/zinc/61/77/76/845617776.db2.gz TZNJAUTZNGCYDU-UHFFFAOYSA-N -1 3 385.367 3.507 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000433966504 845656198 /nfs/dbraw/zinc/65/61/98/845656198.db2.gz VWKXSRUQTDYDNO-OAHLLOKOSA-N -1 3 392.459 3.630 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1csc(C(C)C)n1 ZINC000472092154 845795221 /nfs/dbraw/zinc/79/52/21/845795221.db2.gz DJJRZMOPNIQJOZ-UHFFFAOYSA-N -1 3 382.482 3.981 20 0 GHADHM COc1ccc(-n2ccc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)n2)cc1 ZINC000622891051 845795487 /nfs/dbraw/zinc/79/54/87/845795487.db2.gz CKGJYJFMONYDMW-UHFFFAOYSA-N -1 3 393.834 3.599 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000472112349 845926908 /nfs/dbraw/zinc/92/69/08/845926908.db2.gz GZUAIRIYXSJOGF-ZDUSSCGKSA-N -1 3 375.421 3.725 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)(C)C)s1 ZINC000511049791 845961202 /nfs/dbraw/zinc/96/12/02/845961202.db2.gz VEWZMUWQIPGCKM-HNNXBMFYSA-N -1 3 385.482 3.740 20 0 GHADHM CC(C)(C)c1nc(CN[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cs1 ZINC000277397780 845968723 /nfs/dbraw/zinc/96/87/23/845968723.db2.gz RSTHZBBHSKZPMB-MRXNPFEDSA-N -1 3 375.469 3.847 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3N3CCC(O)CC3)c[n-]c12 ZINC000277400773 845999053 /nfs/dbraw/zinc/99/90/53/845999053.db2.gz KXNGLOJMNDPNDR-UHFFFAOYSA-N -1 3 395.434 3.601 20 0 GHADHM O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NCc1ncccc1[O-] ZINC000472130121 846040787 /nfs/dbraw/zinc/04/07/87/846040787.db2.gz KCIJKFLZAGLPOK-UHFFFAOYSA-N -1 3 388.880 3.606 20 0 GHADHM COC(=O)c1[n-]c(=NCc2cccc(NC(=O)c3cccc(F)c3)c2)sc1C ZINC000434086971 846246875 /nfs/dbraw/zinc/24/68/75/846246875.db2.gz JRFFCCUFSJYGJC-UHFFFAOYSA-N -1 3 399.447 3.664 20 0 GHADHM O=C(NCc1ncccc1[O-])NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000472168251 846363694 /nfs/dbraw/zinc/36/36/94/846363694.db2.gz DUEVYEYLBVEVSK-UHFFFAOYSA-N -1 3 377.847 3.891 20 0 GHADHM CC(C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccccc1 ZINC000421681342 846485276 /nfs/dbraw/zinc/48/52/76/846485276.db2.gz HAOYTDIPFRBZDK-UHFFFAOYSA-N -1 3 390.203 3.546 20 0 GHADHM COc1cccc(CSC[C@H](NCc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000277504422 846557512 /nfs/dbraw/zinc/55/75/12/846557512.db2.gz XUAQASVFGAIXFL-KRWDZBQOSA-N -1 3 383.872 3.964 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CCc4ccccc43)[n-]c(=O)c12 ZINC000502873102 846559882 /nfs/dbraw/zinc/55/98/82/846559882.db2.gz UJPDHDRRAIILRN-CYBMUJFWSA-N -1 3 381.457 3.648 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179679776 861701581 /nfs/dbraw/zinc/70/15/81/861701581.db2.gz YQJFTSPZSLTFLK-DOTOQJQBSA-N -1 3 382.794 3.653 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000419591865 846678660 /nfs/dbraw/zinc/67/86/60/846678660.db2.gz USTABDMPGNVIMU-NEPJUHHUSA-N -1 3 375.469 3.698 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000120019613 846738483 /nfs/dbraw/zinc/73/84/83/846738483.db2.gz AVGWPINHUOUIDO-UHFFFAOYSA-N -1 3 385.427 3.611 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000120019613 846738488 /nfs/dbraw/zinc/73/84/88/846738488.db2.gz AVGWPINHUOUIDO-UHFFFAOYSA-N -1 3 385.427 3.611 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)COCc3ccccc3)cc2)n1 ZINC000503171316 846870162 /nfs/dbraw/zinc/87/01/62/846870162.db2.gz NSJLCVNOAPNCSB-UHFFFAOYSA-N -1 3 391.471 3.927 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1C)c1nccs1 ZINC000124978755 846943845 /nfs/dbraw/zinc/94/38/45/846943845.db2.gz BGYIVNUMFOGMPX-MRVPVSSYSA-N -1 3 381.342 3.705 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000501617675 847060347 /nfs/dbraw/zinc/06/03/47/847060347.db2.gz HTPGWENOKOXBKG-MNOVXSKESA-N -1 3 390.361 3.511 20 0 GHADHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179762824 861760423 /nfs/dbraw/zinc/76/04/23/861760423.db2.gz IXVZEEXNAMSXMJ-UHFFFAOYSA-N -1 3 382.386 3.507 20 0 GHADHM COc1ccc(Br)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000179763162 861760471 /nfs/dbraw/zinc/76/04/71/861760471.db2.gz ZAMFJPVIEYCFMF-UHFFFAOYSA-N -1 3 378.148 3.584 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])c(OC)c1OC ZINC000273175016 847265109 /nfs/dbraw/zinc/26/51/09/847265109.db2.gz HNJXSDYYBPZMIZ-UHFFFAOYSA-N -1 3 393.823 3.673 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000501885748 847303754 /nfs/dbraw/zinc/30/37/54/847303754.db2.gz AHLIVJXFYBHITJ-UHFFFAOYSA-N -1 3 397.382 3.987 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000501885748 847303764 /nfs/dbraw/zinc/30/37/64/847303764.db2.gz AHLIVJXFYBHITJ-UHFFFAOYSA-N -1 3 397.382 3.987 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000158831299 847329559 /nfs/dbraw/zinc/32/95/59/847329559.db2.gz AMSIAZZYRYGUGO-OAHLLOKOSA-N -1 3 384.358 3.530 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(F)ccc3OC(F)F)CCC2)n1 ZINC000420680101 847368523 /nfs/dbraw/zinc/36/85/23/847368523.db2.gz XJQDTQVRSFMWCH-UHFFFAOYSA-N -1 3 392.424 3.550 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC12CCSCC2)c1ccc(F)cc1C(F)(F)F ZINC000420710816 847394159 /nfs/dbraw/zinc/39/41/59/847394159.db2.gz WMEKXHQAAMBWQM-JTQLQIEISA-N -1 3 383.432 3.656 20 0 GHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(OCc2ccccc2)c1 ZINC000472230599 847485614 /nfs/dbraw/zinc/48/56/14/847485614.db2.gz CTNZOEGTUIAPLB-MRXNPFEDSA-N -1 3 377.444 3.927 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3ccc(N)cc3Cl)nc(=O)c2c1C ZINC000502141316 847514601 /nfs/dbraw/zinc/51/46/01/847514601.db2.gz ZJHPYCPEPJOXQO-UHFFFAOYSA-N -1 3 395.893 3.608 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000502185050 847573726 /nfs/dbraw/zinc/57/37/26/847573726.db2.gz JHAYMTCQUTWLGF-OAHLLOKOSA-N -1 3 387.910 3.864 20 0 GHADHM COc1ccc(Oc2ccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)cn2)cc1 ZINC000475011358 861815970 /nfs/dbraw/zinc/81/59/70/861815970.db2.gz ZXJGURPDERTTKS-UHFFFAOYSA-N -1 3 398.444 3.661 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(Br)c1 ZINC000513789875 847755918 /nfs/dbraw/zinc/75/59/18/847755918.db2.gz OPVFRPIYWFHBSZ-UHFFFAOYSA-N -1 3 381.295 3.832 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421161403 847795398 /nfs/dbraw/zinc/79/53/98/847795398.db2.gz XDYVQGXUUMFQLP-AWEZNQCLSA-N -1 3 390.933 3.881 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2ncsc2C(F)(F)F)nc1C(C)(C)C ZINC000277846346 848207760 /nfs/dbraw/zinc/20/77/60/848207760.db2.gz YJNHCWSCBQMMQW-UHFFFAOYSA-N -1 3 393.412 3.955 20 0 GHADHM COC1(C(F)(F)F)CCN(Cc2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000582737750 848237821 /nfs/dbraw/zinc/23/78/21/848237821.db2.gz YMFQSMJRYAGMFM-UHFFFAOYSA-N -1 3 382.382 3.785 20 0 GHADHM O=C(N=c1[n-]nc(Cc2cccc(F)c2)s1)c1ccc(CN2CCCC2)cc1 ZINC000548765262 848306483 /nfs/dbraw/zinc/30/64/83/848306483.db2.gz KCQXGNRDYKZLBP-UHFFFAOYSA-N -1 3 396.491 3.538 20 0 GHADHM CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000731783328 861889326 /nfs/dbraw/zinc/88/93/26/861889326.db2.gz BQLIWJPDTJCTOW-UHFFFAOYSA-N -1 3 393.940 3.673 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)c(N4CCCC4)c(F)c3)ccc2O1 ZINC000731783299 861889485 /nfs/dbraw/zinc/88/94/85/861889485.db2.gz ZYTKAEXYYZDYKC-GFCCVEGCSA-N -1 3 394.443 3.689 20 0 GHADHM Cc1cc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccn1 ZINC000119455272 848367702 /nfs/dbraw/zinc/36/77/02/848367702.db2.gz SYEWEIHDMQKIGI-UHFFFAOYSA-N -1 3 388.855 3.632 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c(=O)[n-]1 ZINC000277920992 848494833 /nfs/dbraw/zinc/49/48/33/848494833.db2.gz RKYRWGVNYLMCLJ-UHFFFAOYSA-N -1 3 379.464 3.679 20 0 GHADHM CSc1nc(Br)c(Nc2cc(F)c([O-])c(F)c2)n2ccnc12 ZINC001213375337 848595069 /nfs/dbraw/zinc/59/50/69/848595069.db2.gz XQCLRINNNQOWFM-UHFFFAOYSA-N -1 3 387.209 3.941 20 0 GHADHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000625453606 861967800 /nfs/dbraw/zinc/96/78/00/861967800.db2.gz QMZAECMHPFTBCQ-HDJSIYSDSA-N -1 3 394.459 3.753 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3F)nc(=O)c2c1C ZINC000052184359 849347520 /nfs/dbraw/zinc/34/75/20/849347520.db2.gz QXAYAKRQDMPGTO-QMMMGPOBSA-N -1 3 391.380 3.567 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000543499140 862029538 /nfs/dbraw/zinc/02/95/38/862029538.db2.gz MKFLUIRDWIULSK-SFHVURJKSA-N -1 3 397.456 3.884 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC000503998798 849830660 /nfs/dbraw/zinc/83/06/60/849830660.db2.gz HHVKKLPDHPACAS-CQSZACIVSA-N -1 3 399.312 3.694 20 0 GHADHM O=c1[n-]nc(SCc2c(Cl)ccc3cccnc32)n1C[C@H]1CCCO1 ZINC000514563395 850009767 /nfs/dbraw/zinc/00/97/67/850009767.db2.gz UZBPFVYKRSJYIK-GFCCVEGCSA-N -1 3 376.869 3.657 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c(=O)[n-]1 ZINC000180349199 862088072 /nfs/dbraw/zinc/08/80/72/862088072.db2.gz PBMYTLWHKSRXJV-GOSISDBHSA-N -1 3 393.409 3.606 20 0 GHADHM COC(=O)c1ccc(-c2nc([C@@H](C)c3ccc(Br)cc3)no2)[n-]1 ZINC000426424048 850107661 /nfs/dbraw/zinc/10/76/61/850107661.db2.gz DYEQWZHIOYECHC-VIFPVBQESA-N -1 3 376.210 3.766 20 0 GHADHM CCCCC[C@H]1CCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000486800044 850109526 /nfs/dbraw/zinc/10/95/26/850109526.db2.gz RICURLBSTVMDNO-ZDUSSCGKSA-N -1 3 377.510 3.624 20 0 GHADHM CCc1nc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(C)o1 ZINC000504600659 850169887 /nfs/dbraw/zinc/16/98/87/850169887.db2.gz BXUPBBOGVGWAEC-UHFFFAOYSA-N -1 3 399.472 3.907 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1cc(F)ccc1Br ZINC000435213295 850217680 /nfs/dbraw/zinc/21/76/80/850217680.db2.gz MSBWPLCXDAXLPV-JSGCOSHPSA-N -1 3 388.233 3.562 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccccc1NCc1ccccc1C ZINC000180382607 862111888 /nfs/dbraw/zinc/11/18/88/862111888.db2.gz OLTLDGKCPQEIDR-UHFFFAOYSA-N -1 3 394.500 3.973 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000424267390 850325215 /nfs/dbraw/zinc/32/52/15/850325215.db2.gz YFOKBZITDCFXGG-FQEVSTJZSA-N -1 3 380.488 3.939 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908755724 850332700 /nfs/dbraw/zinc/33/27/00/850332700.db2.gz ZEORNYFWZKAWFN-NHCUHLMSSA-N -1 3 397.519 3.594 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)N(C)C)cc1 ZINC000908755478 850332884 /nfs/dbraw/zinc/33/28/84/850332884.db2.gz YJOITCWIRUPNOR-LAUBAEHRSA-N -1 3 397.519 3.709 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000908847908 850423731 /nfs/dbraw/zinc/42/37/31/850423731.db2.gz VUOLDISLMRTWJZ-WIYYLYMNSA-N -1 3 395.503 3.508 20 0 GHADHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435437034 850526478 /nfs/dbraw/zinc/52/64/78/850526478.db2.gz IJLXOXVBAJBFSL-HNNXBMFYSA-N -1 3 392.279 3.707 20 0 GHADHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000732215718 862138731 /nfs/dbraw/zinc/13/87/31/862138731.db2.gz KQPCXQKTXJQWBU-UHFFFAOYSA-N -1 3 396.424 3.568 20 0 GHADHM Cc1ccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c(C)n1 ZINC000435467127 850547327 /nfs/dbraw/zinc/54/73/27/850547327.db2.gz CQXOAGSMLRWBNX-UHFFFAOYSA-N -1 3 389.228 3.664 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NCCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000519067665 850582915 /nfs/dbraw/zinc/58/29/15/850582915.db2.gz LOEVDEVBEMJNII-UHFFFAOYSA-N -1 3 390.487 3.555 20 0 GHADHM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)c1 ZINC000506725700 850621028 /nfs/dbraw/zinc/62/10/28/850621028.db2.gz JEECIAWMDOCVCV-BEFAXECRSA-N -1 3 391.489 3.562 20 0 GHADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)c1 ZINC000506725703 850621191 /nfs/dbraw/zinc/62/11/91/850621191.db2.gz JEECIAWMDOCVCV-KXBFYZLASA-N -1 3 391.489 3.562 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)C)cc1Cl ZINC000519151715 850697698 /nfs/dbraw/zinc/69/76/98/850697698.db2.gz BTMBGFLJTSVOHG-SWLSCSKDSA-N -1 3 390.908 3.931 20 0 GHADHM CCOc1ccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(C)C)cc1OCC ZINC000519176885 850703491 /nfs/dbraw/zinc/70/34/91/850703491.db2.gz MGKHEORLORUHLS-HXUWFJFHSA-N -1 3 399.491 3.984 20 0 GHADHM O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(Br)cc1[O-] ZINC000515205669 850783958 /nfs/dbraw/zinc/78/39/58/850783958.db2.gz ONYLQMFYSUDJRA-UHFFFAOYSA-N -1 3 386.249 3.912 20 0 GHADHM C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909825945 850794081 /nfs/dbraw/zinc/79/40/81/850794081.db2.gz YLEAYCVJFRGQIX-AVRDEDQJSA-N -1 3 394.515 3.734 20 0 GHADHM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732276605 862171002 /nfs/dbraw/zinc/17/10/02/862171002.db2.gz MMJYIUFCFJFXCK-AWEZNQCLSA-N -1 3 379.460 3.830 20 0 GHADHM O=C(N[C@H]1CCc2c1cccc2Br)c1nnc2ccccc2c1[O-] ZINC000732284910 862190968 /nfs/dbraw/zinc/19/09/68/862190968.db2.gz ILPGSDKPHSVOTA-AWEZNQCLSA-N -1 3 384.233 3.515 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cn1 ZINC000434360318 851031826 /nfs/dbraw/zinc/03/18/26/851031826.db2.gz AFAYUXOMJAVPNI-UHFFFAOYSA-N -1 3 380.244 3.999 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)c12 ZINC000910358696 851148923 /nfs/dbraw/zinc/14/89/23/851148923.db2.gz YPBCQWPYSKSWCH-XJKSGUPXSA-N -1 3 396.516 3.503 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCOCC1 ZINC000440395316 851154445 /nfs/dbraw/zinc/15/44/45/851154445.db2.gz BYPVJFYKQWRHNS-UHFFFAOYSA-N -1 3 395.471 3.608 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN([C@H](C)c4ccccc4)CC3)c12 ZINC000910371638 851162186 /nfs/dbraw/zinc/16/21/86/851162186.db2.gz AQZPJFZROHFLTM-CQSZACIVSA-N -1 3 396.516 3.890 20 0 GHADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCCC1 ZINC000505753255 851182084 /nfs/dbraw/zinc/18/20/84/851182084.db2.gz QDMRNDKRMCYXNI-CQSZACIVSA-N -1 3 390.480 3.935 20 0 GHADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000469237964 851201458 /nfs/dbraw/zinc/20/14/58/851201458.db2.gz QKUYGLRXQLOYKJ-UHFFFAOYSA-N -1 3 378.897 3.932 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1-c1ccccc1 ZINC000570025130 851207868 /nfs/dbraw/zinc/20/78/68/851207868.db2.gz GKFYWKBFMOYELP-UHFFFAOYSA-N -1 3 378.358 3.595 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1-c1ccccc1 ZINC000570025130 851207876 /nfs/dbraw/zinc/20/78/76/851207876.db2.gz GKFYWKBFMOYELP-UHFFFAOYSA-N -1 3 378.358 3.595 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3nc(C(F)(F)F)cs3)cc(=O)oc12 ZINC000174960224 851221809 /nfs/dbraw/zinc/22/18/09/851221809.db2.gz UYSJTVCIYSRNGW-UHFFFAOYSA-N -1 3 384.379 3.914 20 0 GHADHM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000910510760 851234035 /nfs/dbraw/zinc/23/40/35/851234035.db2.gz KYHMHWWRHIXSBZ-GOSISDBHSA-N -1 3 392.515 3.633 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000436154517 851264964 /nfs/dbraw/zinc/26/49/64/851264964.db2.gz PRWPKJMSLVHJIO-UHFFFAOYSA-N -1 3 382.836 3.692 20 0 GHADHM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ncccc3[O-])c12 ZINC000473629757 851306006 /nfs/dbraw/zinc/30/60/06/851306006.db2.gz KORAQHAWSYLYKR-UHFFFAOYSA-N -1 3 381.480 3.649 20 0 GHADHM O=C(NCc1ncccc1[O-])c1csc(-c2ccc(Br)s2)n1 ZINC000473639436 851338934 /nfs/dbraw/zinc/33/89/34/851338934.db2.gz CVFQEWFETZEZNA-UHFFFAOYSA-N -1 3 396.291 3.665 20 0 GHADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000515757093 851438350 /nfs/dbraw/zinc/43/83/50/851438350.db2.gz QUTBZVYXUMASFL-UHFFFAOYSA-N -1 3 388.316 3.921 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000910960673 851483219 /nfs/dbraw/zinc/48/32/19/851483219.db2.gz DQEIAIJLCNDELV-SFHVURJKSA-N -1 3 384.451 3.937 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000910963024 851484232 /nfs/dbraw/zinc/48/42/32/851484232.db2.gz USQWLISTGGWQPY-UHFFFAOYSA-N -1 3 395.503 3.730 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(-n2cccc2)c1 ZINC000550097482 851545814 /nfs/dbraw/zinc/54/58/14/851545814.db2.gz WTCRTYZYTQJNIB-UHFFFAOYSA-N -1 3 399.454 3.502 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000732391636 862255380 /nfs/dbraw/zinc/25/53/80/862255380.db2.gz KWWLJSAAFITOBJ-FQEVSTJZSA-N -1 3 392.411 3.723 20 0 GHADHM CC1CCN([C@@H](CNC(=O)Cc2cccc(C(=O)[O-])c2)c2cccs2)CC1 ZINC000911101375 851571087 /nfs/dbraw/zinc/57/10/87/851571087.db2.gz GJJQVDLAIAOZCH-SFHVURJKSA-N -1 3 386.517 3.578 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000732394525 862258328 /nfs/dbraw/zinc/25/83/28/862258328.db2.gz OXKMSNJCBPCCRT-SECBINFHSA-N -1 3 379.294 3.774 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430110873 851589277 /nfs/dbraw/zinc/58/92/77/851589277.db2.gz LIWPGMGUCFVFPP-OAHLLOKOSA-N -1 3 380.286 3.585 20 0 GHADHM CC(C)N1C[C@@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CC1=O ZINC000519553819 851603022 /nfs/dbraw/zinc/60/30/22/851603022.db2.gz LYSWEFMTYZFEIF-KRWDZBQOSA-N -1 3 377.444 3.757 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)c(Br)c1)c1ccc(Cl)s1 ZINC000049334781 851653183 /nfs/dbraw/zinc/65/31/83/851653183.db2.gz WEWHEIFZWNZZFQ-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000911262495 851666179 /nfs/dbraw/zinc/66/61/79/851666179.db2.gz IPHKHZXGXIRKTQ-OXJNMPFZSA-N -1 3 380.488 3.688 20 0 GHADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488644386 851671620 /nfs/dbraw/zinc/67/16/20/851671620.db2.gz LHTKIMSMFRLTTH-AWEZNQCLSA-N -1 3 389.370 3.873 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000911288822 851678341 /nfs/dbraw/zinc/67/83/41/851678341.db2.gz UERQAMHCMOLPEV-QGZVFWFLSA-N -1 3 394.471 3.987 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000132812395 862275666 /nfs/dbraw/zinc/27/56/66/862275666.db2.gz FDKKGLQROUDKNR-UHFFFAOYSA-N -1 3 396.340 3.607 20 0 GHADHM Cc1cc(F)c(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000911684796 851850859 /nfs/dbraw/zinc/85/08/59/851850859.db2.gz TZFLBALJPMBIFJ-OAHLLOKOSA-N -1 3 388.414 3.822 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2cccs2)c1 ZINC000101752157 851870262 /nfs/dbraw/zinc/87/02/62/851870262.db2.gz OYXGFLPOGBNLKF-UHFFFAOYSA-N -1 3 381.457 3.672 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000488987107 851908751 /nfs/dbraw/zinc/90/87/51/851908751.db2.gz RRGPDGFRDBQCOU-ZDUSSCGKSA-N -1 3 383.370 3.810 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911854483 851934666 /nfs/dbraw/zinc/93/46/66/851934666.db2.gz KSPLYEYWOUYZOM-CYBMUJFWSA-N -1 3 381.398 3.719 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1COc2ccc(Cl)cc21 ZINC000489023382 851939963 /nfs/dbraw/zinc/93/99/63/851939963.db2.gz PSTSBMOEGYSPES-LBPRGKRZSA-N -1 3 382.641 3.601 20 0 GHADHM Cc1cn2c(n1)[C@H](CNC(=O)c1cc(Cc3ccccc3)ccc1[O-])CCC2 ZINC000436513060 852002368 /nfs/dbraw/zinc/00/23/68/852002368.db2.gz LPUKUGCDWXKETP-IBGZPJMESA-N -1 3 375.472 3.795 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN[C@H](c2cccc(F)c2)C1 ZINC000436521205 852011628 /nfs/dbraw/zinc/01/16/28/852011628.db2.gz ZBLWYGYNUIVPLA-QFIPXVFZSA-N -1 3 390.458 3.909 20 0 GHADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000436523304 852013740 /nfs/dbraw/zinc/01/37/40/852013740.db2.gz RZSQVHKJZBIDJJ-MOPGFXCFSA-N -1 3 391.508 3.999 20 0 GHADHM COc1ccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)c([O-])c1 ZINC000436552735 852039723 /nfs/dbraw/zinc/03/97/23/852039723.db2.gz ADSWMWZDOKADHU-UHFFFAOYSA-N -1 3 375.852 3.532 20 0 GHADHM COc1ccc(I)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436542328 852055551 /nfs/dbraw/zinc/05/55/51/852055551.db2.gz GASCQDIWYCEYBP-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c([O-])c1 ZINC000436595050 852080856 /nfs/dbraw/zinc/08/08/56/852080856.db2.gz KDZFZNPVCVZZAE-GNISGLHKSA-N -1 3 378.472 3.525 20 0 GHADHM CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436583410 852092630 /nfs/dbraw/zinc/09/26/30/852092630.db2.gz KDHPWSBFMHJYTO-OAHLLOKOSA-N -1 3 395.459 3.736 20 0 GHADHM CSC1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOCC1 ZINC000436588495 852096674 /nfs/dbraw/zinc/09/66/74/852096674.db2.gz NEAHDUDYXWMBLI-UHFFFAOYSA-N -1 3 385.529 3.819 20 0 GHADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436589894 852096777 /nfs/dbraw/zinc/09/67/77/852096777.db2.gz QMEIKBIXGMZYSQ-AQZOLHLPSA-N -1 3 387.501 3.994 20 0 GHADHM O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000436602087 852103445 /nfs/dbraw/zinc/10/34/45/852103445.db2.gz JSTCIKFJASDCLQ-KRWDZBQOSA-N -1 3 396.878 3.941 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000436629442 852125059 /nfs/dbraw/zinc/12/50/59/852125059.db2.gz JMMYOYDCKJPFRV-UHFFFAOYSA-N -1 3 377.400 3.672 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)cc1F ZINC000329791754 862323858 /nfs/dbraw/zinc/32/38/58/862323858.db2.gz USROESWZUVYPTA-IBGZPJMESA-N -1 3 393.455 3.646 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])o1 ZINC000436637774 852132082 /nfs/dbraw/zinc/13/20/82/852132082.db2.gz CBZFOFOKDGCKKB-CRAIPNDOSA-N -1 3 384.476 3.722 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436668388 852167173 /nfs/dbraw/zinc/16/71/73/852167173.db2.gz WQPKIVDWBAXTBG-GOSISDBHSA-N -1 3 386.879 3.838 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c([O-])c2O1 ZINC000436679723 852187855 /nfs/dbraw/zinc/18/78/55/852187855.db2.gz GWLPINLWGWEHOR-KRWDZBQOSA-N -1 3 383.444 3.916 20 0 GHADHM CCCCC[C@H]1CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000489271130 852192197 /nfs/dbraw/zinc/19/21/97/852192197.db2.gz PUQMOMSXRUSJGF-SFHVURJKSA-N -1 3 382.508 3.644 20 0 GHADHM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436692994 852202471 /nfs/dbraw/zinc/20/24/71/852202471.db2.gz ZPTOLXSFXIUGQL-OAHLLOKOSA-N -1 3 397.431 3.731 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000436695070 852206914 /nfs/dbraw/zinc/20/69/14/852206914.db2.gz JLMVOJSYLIQALW-UHFFFAOYSA-N -1 3 398.409 3.888 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@@H]1CC(F)F ZINC000436697216 852213514 /nfs/dbraw/zinc/21/35/14/852213514.db2.gz JATKRSAGIJHYQN-KRWDZBQOSA-N -1 3 375.415 3.674 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCc3ccccn3)nc(=O)c2c1C ZINC000600579777 862333355 /nfs/dbraw/zinc/33/33/55/862333355.db2.gz JXPKMRFDVOBLFE-NSHDSACASA-N -1 3 389.502 3.859 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716195 852240229 /nfs/dbraw/zinc/24/02/29/852240229.db2.gz OKPZFCNZGBWBGV-FQEVSTJZSA-N -1 3 394.515 3.582 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436722462 852248811 /nfs/dbraw/zinc/24/88/11/852248811.db2.gz JKNAOBXMOPFMJJ-ROUUACIJSA-N -1 3 392.499 3.666 20 0 GHADHM O=C(Nc1cc(CSCCO)ccn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436729929 852269550 /nfs/dbraw/zinc/26/95/50/852269550.db2.gz IVXHRPMWDDJEHG-UHFFFAOYSA-N -1 3 394.496 3.856 20 0 GHADHM CC(C)c1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)c([O-])c1 ZINC000436734073 852273316 /nfs/dbraw/zinc/27/33/16/852273316.db2.gz JUHNNRWXPLOLTD-UHFFFAOYSA-N -1 3 392.293 3.913 20 0 GHADHM Cc1nc2scc(CC(C)C)c2c(NCCNC(=O)c2ccc([O-])cc2)n1 ZINC000436749453 852290991 /nfs/dbraw/zinc/29/09/91/852290991.db2.gz TYWZNUNMGDADFT-UHFFFAOYSA-N -1 3 384.505 3.746 20 0 GHADHM COCCOc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1F ZINC000436776020 852309373 /nfs/dbraw/zinc/30/93/73/852309373.db2.gz SORDFVPORNIJRP-UHFFFAOYSA-N -1 3 375.396 3.522 20 0 GHADHM O=C([O-])[C@@H](CNCc1csc(-c2ccccn2)n1)Cc1cccc(Cl)c1 ZINC000426706679 852311484 /nfs/dbraw/zinc/31/14/84/852311484.db2.gz WBICPUVZVHLJJI-CQSZACIVSA-N -1 3 387.892 3.892 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000438382181 852326269 /nfs/dbraw/zinc/32/62/69/852326269.db2.gz WVCDZKORHUKZFG-UHFFFAOYSA-N -1 3 397.475 3.559 20 0 GHADHM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(OC)cc1[O-] ZINC000436798297 852330776 /nfs/dbraw/zinc/33/07/76/852330776.db2.gz SGTJWICCKHLEIT-HNNXBMFYSA-N -1 3 384.476 3.897 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000436784373 852337539 /nfs/dbraw/zinc/33/75/39/852337539.db2.gz XDEPZXAGZWDWET-HXPMCKFVSA-N -1 3 380.448 3.744 20 0 GHADHM CCOc1ccccc1C1=CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000436786296 852340464 /nfs/dbraw/zinc/34/04/64/852340464.db2.gz IYXPYRFMOXLVPG-UHFFFAOYSA-N -1 3 380.444 3.679 20 0 GHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426745219 852344523 /nfs/dbraw/zinc/34/45/23/852344523.db2.gz ZMDJGXFLCVOHHB-KRWDZBQOSA-N -1 3 396.409 3.994 20 0 GHADHM O=C(CSCc1cc(-c2cccs2)on1)NCc1ccc([O-])c(F)c1 ZINC000132968629 862347396 /nfs/dbraw/zinc/34/73/96/862347396.db2.gz JBMQLIWUCGLCIU-UHFFFAOYSA-N -1 3 378.450 3.797 20 0 GHADHM C[C@H]1CCc2nc(CN[C@@H](Cc3c(F)cccc3Cl)C(=O)[O-])sc2C1 ZINC000426753906 852359568 /nfs/dbraw/zinc/35/95/68/852359568.db2.gz LVZIVIVDORHPDA-BONVTDFDSA-N -1 3 382.888 3.846 20 0 GHADHM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436832058 852381009 /nfs/dbraw/zinc/38/10/09/852381009.db2.gz ROUHLVYAPVXREQ-GOSISDBHSA-N -1 3 381.394 3.563 20 0 GHADHM Cc1cc([C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])ccc1Cl ZINC000426779432 852386551 /nfs/dbraw/zinc/38/65/51/852386551.db2.gz HVMGTRVVGVSLEY-MRXNPFEDSA-N -1 3 382.243 3.989 20 0 GHADHM COc1ccccc1[C@H](NCc1ccc(-n2cnc3ccccc32)cc1)C(=O)[O-] ZINC000426783084 852388255 /nfs/dbraw/zinc/38/82/55/852388255.db2.gz JFHKTGNBOMLKNC-QFIPXVFZSA-N -1 3 387.439 3.950 20 0 GHADHM COc1cccc(C[C@@H](NCc2csc(-c3ccc(F)cc3)n2)C(=O)[O-])c1 ZINC000426784920 852389457 /nfs/dbraw/zinc/38/94/57/852389457.db2.gz OBANFMIRHBOBME-GOSISDBHSA-N -1 3 386.448 3.743 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c([O-])c1 ZINC000436822960 852391920 /nfs/dbraw/zinc/39/19/20/852391920.db2.gz YROJLHGRJZYDMD-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM Cc1c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)sc2cccc(F)c12 ZINC000436856824 852402614 /nfs/dbraw/zinc/40/26/14/852402614.db2.gz UYPFISZYSJOKLK-UHFFFAOYSA-N -1 3 398.459 3.653 20 0 GHADHM COc1cc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)cc(OC)c1[O-] ZINC000436861894 852425027 /nfs/dbraw/zinc/42/50/27/852425027.db2.gz FYDADGZDYTVCSY-UHFFFAOYSA-N -1 3 382.294 3.867 20 0 GHADHM CCc1ccc([C@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])cc1 ZINC000426826953 852440014 /nfs/dbraw/zinc/44/00/14/852440014.db2.gz UTKJGSZMOWCXDU-KRWDZBQOSA-N -1 3 378.266 3.936 20 0 GHADHM O=C(NCCNC(=O)C1(Cc2cccc(F)c2)CCCCC1)c1ccc([O-])cc1 ZINC000436903904 852468723 /nfs/dbraw/zinc/46/87/23/852468723.db2.gz JQSKNQVCFRIMOM-UHFFFAOYSA-N -1 3 398.478 3.571 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000489606221 852482709 /nfs/dbraw/zinc/48/27/09/852482709.db2.gz CVMAZRAAKBDBNO-MRVPVSSYSA-N -1 3 398.403 3.571 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)c1[O-] ZINC000436899991 852485753 /nfs/dbraw/zinc/48/57/53/852485753.db2.gz AMRQFVCQLJASDC-UHFFFAOYSA-N -1 3 391.383 3.641 20 0 GHADHM CCN1CCN(c2ccc(-c3noc(-c4cc(F)ccc4[O-])n3)cc2F)CC1 ZINC000436913705 852491852 /nfs/dbraw/zinc/49/18/52/852491852.db2.gz JNYZALDHHYARMT-UHFFFAOYSA-N -1 3 386.402 3.529 20 0 GHADHM Cc1cc(C)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436920792 852501753 /nfs/dbraw/zinc/50/17/53/852501753.db2.gz QSDQYNNZHYDQDY-UHFFFAOYSA-N -1 3 381.476 3.744 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c([O-])c1 ZINC000436929908 852511685 /nfs/dbraw/zinc/51/16/85/852511685.db2.gz WUCXRJJAZQBVDK-OAHLLOKOSA-N -1 3 396.487 3.664 20 0 GHADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c([O-])cccc1F ZINC000436950103 852513015 /nfs/dbraw/zinc/51/30/15/852513015.db2.gz NRJDGIHUVHODGC-CQSZACIVSA-N -1 3 382.357 3.554 20 0 GHADHM O=C(Nc1cc(F)cc(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436935359 852517482 /nfs/dbraw/zinc/51/74/82/852517482.db2.gz OXEMECVFDRCPPR-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3ccccn3)cc2)c([O-])c1 ZINC000436960835 852531840 /nfs/dbraw/zinc/53/18/40/852531840.db2.gz FPGFWVMZVVCWEZ-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000436966557 852537957 /nfs/dbraw/zinc/53/79/57/852537957.db2.gz VRPZETPHXAOLDA-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436959896 852550199 /nfs/dbraw/zinc/55/01/99/852550199.db2.gz FNCBIHCNKMFXNF-LAUBAEHRSA-N -1 3 394.515 3.868 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC3CCN(C(=O)c4ccccc4F)CC3)n[n-]2)o1 ZINC000732602041 862371444 /nfs/dbraw/zinc/37/14/44/862371444.db2.gz LTXZGGHQBOWKCO-UHFFFAOYSA-N -1 3 397.406 3.579 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC3CCN(C(=O)c4ccccc4F)CC3)[n-]n2)o1 ZINC000732602041 862371463 /nfs/dbraw/zinc/37/14/63/862371463.db2.gz LTXZGGHQBOWKCO-UHFFFAOYSA-N -1 3 397.406 3.579 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)c([O-])c1 ZINC000436983517 852592280 /nfs/dbraw/zinc/59/22/80/852592280.db2.gz CNGZMQRALFYSHC-IBGZPJMESA-N -1 3 382.460 3.799 20 0 GHADHM CCc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cnn1CC(C)C ZINC000519592338 852617186 /nfs/dbraw/zinc/61/71/86/852617186.db2.gz BHNITLAUAVDKIL-UHFFFAOYSA-N -1 3 378.436 3.885 20 0 GHADHM CCc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cnn1CC(C)C ZINC000519592338 852617189 /nfs/dbraw/zinc/61/71/89/852617189.db2.gz BHNITLAUAVDKIL-UHFFFAOYSA-N -1 3 378.436 3.885 20 0 GHADHM Cc1ccc(Oc2ccc(OCC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc2)cc1 ZINC000473852550 852618976 /nfs/dbraw/zinc/61/89/76/852618976.db2.gz UNXKYNNXFGVXPF-HXUWFJFHSA-N -1 3 393.443 3.801 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000427064444 852682871 /nfs/dbraw/zinc/68/28/71/852682871.db2.gz LQRSNYYDAHFORC-HUUCEWRRSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000427064444 852682875 /nfs/dbraw/zinc/68/28/75/852682875.db2.gz LQRSNYYDAHFORC-HUUCEWRRSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(OC2CCCCC2)cc1 ZINC000427085152 852702189 /nfs/dbraw/zinc/70/21/89/852702189.db2.gz CTZLGFDQBIHBED-UHFFFAOYSA-N -1 3 377.448 3.754 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(OC2CCCCC2)cc1 ZINC000427085152 852702196 /nfs/dbraw/zinc/70/21/96/852702196.db2.gz CTZLGFDQBIHBED-UHFFFAOYSA-N -1 3 377.448 3.754 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1c1ccccc1 ZINC000519597153 852710662 /nfs/dbraw/zinc/71/06/62/852710662.db2.gz ADENHYUMCSGCFA-JKSUJKDBSA-N -1 3 378.241 3.888 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427151171 852786570 /nfs/dbraw/zinc/78/65/70/852786570.db2.gz BZEGABBSISRFOO-UHFFFAOYSA-N -1 3 378.823 3.691 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427151171 852786577 /nfs/dbraw/zinc/78/65/77/852786577.db2.gz BZEGABBSISRFOO-UHFFFAOYSA-N -1 3 378.823 3.691 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000437187560 852846309 /nfs/dbraw/zinc/84/63/09/852846309.db2.gz MGNDHSSTYCCTGA-UHFFFAOYSA-N -1 3 382.850 3.537 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Br ZINC000438802577 852862172 /nfs/dbraw/zinc/86/21/72/852862172.db2.gz QEFDQUXFFPJYBN-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(OC4CCC4)CC3)cc2)cc(=O)[n-]1 ZINC000518136339 852881220 /nfs/dbraw/zinc/88/12/20/852881220.db2.gz ZKPXHZBAYJOHHE-UHFFFAOYSA-N -1 3 382.464 3.723 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2-n2cccn2)sc1Cl ZINC000473856316 852930424 /nfs/dbraw/zinc/93/04/24/852930424.db2.gz UYILBTHMFXPFBR-GFCCVEGCSA-N -1 3 381.910 3.935 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)[n-]n1 ZINC000180929952 862413073 /nfs/dbraw/zinc/41/30/73/862413073.db2.gz RFWFURDRFSBSJA-UHFFFAOYSA-N -1 3 398.366 3.776 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)n[n-]1 ZINC000180929952 862413083 /nfs/dbraw/zinc/41/30/83/862413083.db2.gz RFWFURDRFSBSJA-UHFFFAOYSA-N -1 3 398.366 3.776 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473858679 852976637 /nfs/dbraw/zinc/97/66/37/852976637.db2.gz XLEOSKVHXQFGSC-LBPRGKRZSA-N -1 3 390.654 3.661 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000490465244 853024866 /nfs/dbraw/zinc/02/48/66/853024866.db2.gz ORXAPLHVJWYGJY-JTQLQIEISA-N -1 3 391.923 3.606 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cc(C(F)(F)F)on1 ZINC000490472972 853042538 /nfs/dbraw/zinc/04/25/38/853042538.db2.gz VFRRQNKQJFQGGH-UHFFFAOYSA-N -1 3 386.754 3.700 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)o1 ZINC000490510561 853046272 /nfs/dbraw/zinc/04/62/72/853046272.db2.gz VEXVSAIVJXAUES-UHFFFAOYSA-N -1 3 380.363 3.572 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)NCc2cnc(C)[n-]c2=O)cc1OCC ZINC000544261518 853056760 /nfs/dbraw/zinc/05/67/60/853056760.db2.gz RFICVZRIEDVRFP-UHFFFAOYSA-N -1 3 393.871 3.652 20 0 GHADHM C[C@H](SCCc1cn(C)nn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000600620060 862428427 /nfs/dbraw/zinc/42/84/27/862428427.db2.gz GYDFFWCXAZYFSR-JTQLQIEISA-N -1 3 387.490 3.822 20 0 GHADHM CN(Cc1cccc([O-])c1Cl)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000507653481 853139855 /nfs/dbraw/zinc/13/98/55/853139855.db2.gz LYEOGAGCPOAXBK-ZDUSSCGKSA-N -1 3 389.801 3.936 20 0 GHADHM CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nc2sc(C)c(C)c2c1=O ZINC000329931297 862434390 /nfs/dbraw/zinc/43/43/90/862434390.db2.gz ANVISCVQUIENGT-LLVKDONJSA-N -1 3 376.507 3.752 20 0 GHADHM COc1nnc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)[n-]1 ZINC000490682551 853180896 /nfs/dbraw/zinc/18/08/96/853180896.db2.gz BJZBNYYIEXLKTL-FQEVSTJZSA-N -1 3 393.472 3.562 20 0 GHADHM COc1nc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)n[n-]1 ZINC000490682551 853180904 /nfs/dbraw/zinc/18/09/04/853180904.db2.gz BJZBNYYIEXLKTL-FQEVSTJZSA-N -1 3 393.472 3.562 20 0 GHADHM COc1n[n-]c(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)n1 ZINC000490682551 853180911 /nfs/dbraw/zinc/18/09/11/853180911.db2.gz BJZBNYYIEXLKTL-FQEVSTJZSA-N -1 3 393.472 3.562 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000913298819 853209999 /nfs/dbraw/zinc/20/99/99/853209999.db2.gz DJVGAJGBXVYPLT-SNVBAGLBSA-N -1 3 393.321 3.873 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000913298819 853210003 /nfs/dbraw/zinc/21/00/03/853210003.db2.gz DJVGAJGBXVYPLT-SNVBAGLBSA-N -1 3 393.321 3.873 20 0 GHADHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2C)CC1 ZINC000518329525 853214937 /nfs/dbraw/zinc/21/49/37/853214937.db2.gz ZIGZZHHLHVBWSU-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000151340881 853333894 /nfs/dbraw/zinc/33/38/94/853333894.db2.gz JISIETMTMAAUMI-UHFFFAOYSA-N -1 3 392.180 3.961 20 0 GHADHM Cc1ccc(-n2ncc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)c2C(C)C)cc1 ZINC000481874235 862456062 /nfs/dbraw/zinc/45/60/62/862456062.db2.gz YHZBKQPTNHICEO-UHFFFAOYSA-N -1 3 379.464 3.598 20 0 GHADHM Cc1cncc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)c1 ZINC000439173418 853369428 /nfs/dbraw/zinc/36/94/28/853369428.db2.gz TXFIOUXSRHXUJU-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC(C)(C)C)c2ccc(F)cc2)s1 ZINC000517193269 853498737 /nfs/dbraw/zinc/49/87/37/853498737.db2.gz CGVWGADXKFLEAN-CQSZACIVSA-N -1 3 399.513 3.696 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2Br)s1 ZINC000054731187 853509082 /nfs/dbraw/zinc/50/90/82/853509082.db2.gz VQKRJIVZMFNUTA-JTQLQIEISA-N -1 3 382.283 3.524 20 0 GHADHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000586752383 853521256 /nfs/dbraw/zinc/52/12/56/853521256.db2.gz XCDZNTHHAHOGNL-LJQANCHMSA-N -1 3 377.444 3.611 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000440795735 853632934 /nfs/dbraw/zinc/63/29/34/853632934.db2.gz JRGNAXCHCJVSGD-LLVKDONJSA-N -1 3 376.334 3.918 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000517348794 853695672 /nfs/dbraw/zinc/69/56/72/853695672.db2.gz TXHFCMJLOOAYKQ-HIFRSBDPSA-N -1 3 389.293 3.720 20 0 GHADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000571063167 853726861 /nfs/dbraw/zinc/72/68/61/853726861.db2.gz IWMUAAJDFUKOBR-PXRHCINRSA-N -1 3 387.549 3.766 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481890134 862494894 /nfs/dbraw/zinc/49/48/94/862494894.db2.gz HVZZVSJDGVNQRK-MRXNPFEDSA-N -1 3 388.393 3.856 20 0 GHADHM O=c1cc(-c2noc(-c3ccc(C(F)(F)F)cc3N3CCCC3)n2)nc[n-]1 ZINC000571165151 853777130 /nfs/dbraw/zinc/77/71/30/853777130.db2.gz SVSWJOSGVQSPFG-UHFFFAOYSA-N -1 3 377.326 3.518 20 0 GHADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccccc1CSC ZINC000600651298 862499462 /nfs/dbraw/zinc/49/94/62/862499462.db2.gz GMERTSXBTDIYSX-QGZVFWFLSA-N -1 3 383.510 3.688 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000732803931 862503690 /nfs/dbraw/zinc/50/36/90/862503690.db2.gz ANVSORZCZIMRIR-UHFFFAOYSA-N -1 3 382.504 3.884 20 0 GHADHM O=C(Nc1c(F)cccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000520225879 853988604 /nfs/dbraw/zinc/98/86/04/853988604.db2.gz UDZBALXWMJVLIF-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM CCc1nnc([C@@H](C)N[C@@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]1 ZINC000623925689 862531223 /nfs/dbraw/zinc/53/12/23/862531223.db2.gz LWMSYLAWOYTFGT-LSDHHAIUSA-N -1 3 399.520 3.580 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473929806 854313346 /nfs/dbraw/zinc/31/33/46/854313346.db2.gz VRLJOLIEYPYPQG-UHFFFAOYSA-N -1 3 384.443 3.811 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473929806 854313355 /nfs/dbraw/zinc/31/33/55/854313355.db2.gz VRLJOLIEYPYPQG-UHFFFAOYSA-N -1 3 384.443 3.811 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000473938314 854341796 /nfs/dbraw/zinc/34/17/96/854341796.db2.gz FESZCFPTTCIYPT-KGLIPLIRSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000473938314 854341804 /nfs/dbraw/zinc/34/18/04/854341804.db2.gz FESZCFPTTCIYPT-KGLIPLIRSA-N -1 3 388.258 3.840 20 0 GHADHM Cc1ccc(Cc2cnc(NC=C3C(=O)[N-]C(=O)c4ccccc43)s2)cc1F ZINC000032079905 854524576 /nfs/dbraw/zinc/52/45/76/854524576.db2.gz INGTXVGPRBPOFX-GZTJUZNOSA-N -1 3 393.443 3.904 20 0 GHADHM Cc1cccc(C2(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CCCC2)c1 ZINC000588912207 854587132 /nfs/dbraw/zinc/58/71/32/854587132.db2.gz KZTBGMDRSWNQLQ-UHFFFAOYSA-N -1 3 377.444 3.512 20 0 GHADHM [O-]c1ccccc1-c1nnc(CNC2(c3ccc(Br)cc3)CC2)o1 ZINC001168604728 854742779 /nfs/dbraw/zinc/74/27/79/854742779.db2.gz RSVGTOMZAYRULW-UHFFFAOYSA-N -1 3 386.249 3.984 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCOc1c(C)cccc1C)CC2 ZINC000572609607 854865953 /nfs/dbraw/zinc/86/59/53/854865953.db2.gz WEDFPHMYBAYSCY-LJQANCHMSA-N -1 3 399.487 3.774 20 0 GHADHM COc1cccc(C(=O)c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)c1 ZINC000188780532 854927268 /nfs/dbraw/zinc/92/72/68/854927268.db2.gz DRJCUQXDKQXOJQ-UHFFFAOYSA-N -1 3 379.387 3.701 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]CC1(C(F)(F)F)CCCC1 ZINC000625621179 862642930 /nfs/dbraw/zinc/64/29/30/862642930.db2.gz QLADGNWCSQIOHX-UHFFFAOYSA-N -1 3 388.411 3.884 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnc2ccccc2n1 ZINC000189795999 855196672 /nfs/dbraw/zinc/19/66/72/855196672.db2.gz KIMMBRRAUCMYOM-UHFFFAOYSA-N -1 3 381.848 3.978 20 0 GHADHM Cc1cccc(C)c1OCCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000733008674 862660743 /nfs/dbraw/zinc/66/07/43/862660743.db2.gz WFSLDROTCWCJER-LJQANCHMSA-N -1 3 397.471 3.626 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(CC)cc2[O-])c1C ZINC000190387994 855306653 /nfs/dbraw/zinc/30/66/53/855306653.db2.gz BHFGFZSPTKITAB-UHFFFAOYSA-N -1 3 376.478 3.667 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C ZINC000055584654 855352490 /nfs/dbraw/zinc/35/24/90/855352490.db2.gz RFIIAUJHYQFNRP-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000055633009 855362926 /nfs/dbraw/zinc/36/29/26/855362926.db2.gz DBBKOFGQVGOUQP-UHFFFAOYSA-N -1 3 394.880 3.666 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482072916 862675408 /nfs/dbraw/zinc/67/54/08/862675408.db2.gz ACUUFWWLHVZIJV-UHFFFAOYSA-N -1 3 391.244 3.712 20 0 GHADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)NC1CCCCCCC1 ZINC000057450748 855397703 /nfs/dbraw/zinc/39/77/03/855397703.db2.gz ZABVVAWHEBINQB-UHFFFAOYSA-N -1 3 386.265 3.645 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)s1 ZINC000056064138 855464317 /nfs/dbraw/zinc/46/43/17/855464317.db2.gz OLPUPKMDWOTOJD-UHFFFAOYSA-N -1 3 385.816 3.821 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C4CC4)no3)cc2)cc1 ZINC000441547639 855606896 /nfs/dbraw/zinc/60/68/96/855606896.db2.gz QRQKZYUQVHVHJH-UHFFFAOYSA-N -1 3 397.456 3.914 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C)CC2)cc1Cl ZINC000190664811 855628738 /nfs/dbraw/zinc/62/87/38/855628738.db2.gz OOWBSUCABPOMFT-JQWIXIFHSA-N -1 3 376.881 3.685 20 0 GHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCCCC1 ZINC000056724424 855640798 /nfs/dbraw/zinc/64/07/98/855640798.db2.gz SJMBTPXUVBCDOD-UHFFFAOYSA-N -1 3 393.484 3.749 20 0 GHADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc2c1OCO2 ZINC000417577691 855650347 /nfs/dbraw/zinc/65/03/47/855650347.db2.gz JRRMSUDPWHSCAW-CQSZACIVSA-N -1 3 397.349 3.748 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H]1c1ccsc1 ZINC000482132637 862719509 /nfs/dbraw/zinc/71/95/09/862719509.db2.gz QXZPWEYAEIBQSW-CQSZACIVSA-N -1 3 391.294 3.949 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc3ccccc3c2C)cc1OC ZINC000482125894 862737238 /nfs/dbraw/zinc/73/72/38/862737238.db2.gz YIHRIZAURLVRIP-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000591366933 855952013 /nfs/dbraw/zinc/95/20/13/855952013.db2.gz PXWJJSFKLRTVIE-UHFFFAOYSA-N -1 3 386.395 3.946 20 0 GHADHM CCCCc1ccc2nc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)sc2c1 ZINC000591422311 855970389 /nfs/dbraw/zinc/97/03/89/855970389.db2.gz IGELARGOYUTRPC-UHFFFAOYSA-N -1 3 379.441 3.775 20 0 GHADHM Cc1cc(C2([N-]S(=O)(=O)c3ccccc3-c3ccccc3)CCOCC2)on1 ZINC000625654671 862743579 /nfs/dbraw/zinc/74/35/79/862743579.db2.gz ZCSTUSPTNAXEDZ-UHFFFAOYSA-N -1 3 398.484 3.634 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2cccc(F)c2)n1 ZINC000674172131 855992156 /nfs/dbraw/zinc/99/21/56/855992156.db2.gz VAGSWYCBOHFJDG-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1 ZINC000171773145 862754353 /nfs/dbraw/zinc/75/43/53/862754353.db2.gz CDGDVIOMBSAXGA-UHFFFAOYSA-N -1 3 387.505 3.745 20 0 GHADHM CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000029307810 856038126 /nfs/dbraw/zinc/03/81/26/856038126.db2.gz XSQXRYHBAXZUAX-UHFFFAOYSA-N -1 3 395.484 3.755 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c(C)c1 ZINC000012650033 856077405 /nfs/dbraw/zinc/07/74/05/856077405.db2.gz ASWVPNPTXNERFJ-UHFFFAOYSA-N -1 3 388.518 3.692 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c(OC[C@H]2CCCO2)c1 ZINC000573426329 856121353 /nfs/dbraw/zinc/12/13/53/856121353.db2.gz OTVZZIWCFHQSAN-LVCYWYKZSA-N -1 3 387.501 3.851 20 0 GHADHM COc1ccc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC ZINC000485122056 856135780 /nfs/dbraw/zinc/13/57/80/856135780.db2.gz LEDPURQKOFJDRP-UHFFFAOYSA-N -1 3 392.415 3.806 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC12CCCCC2 ZINC000482165285 862765702 /nfs/dbraw/zinc/76/57/02/862765702.db2.gz CCBMOEYIPDIKMI-UHFFFAOYSA-N -1 3 377.286 3.849 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(COc3ccc(F)cc3)c2)c(=O)[n-]1 ZINC000485163837 856177931 /nfs/dbraw/zinc/17/79/31/856177931.db2.gz AGGHIMQHPFRRFI-UHFFFAOYSA-N -1 3 382.395 3.530 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031715670 856185718 /nfs/dbraw/zinc/18/57/18/856185718.db2.gz CSFWOVSYHSOKMR-CQSZACIVSA-N -1 3 378.469 3.743 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000530165387 856203277 /nfs/dbraw/zinc/20/32/77/856203277.db2.gz XZUAYCJPKSWBHM-HXUWFJFHSA-N -1 3 389.423 3.512 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1cccc(Br)c1)C1CC1 ZINC000436754789 856218947 /nfs/dbraw/zinc/21/89/47/856218947.db2.gz JTAZAYRKGXUTFR-UHFFFAOYSA-N -1 3 390.233 3.688 20 0 GHADHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000591804982 856286942 /nfs/dbraw/zinc/28/69/42/856286942.db2.gz SXLFIDZLRPAKAB-ZDUSSCGKSA-N -1 3 395.352 3.603 20 0 GHADHM CS[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000033245826 856287495 /nfs/dbraw/zinc/28/74/95/856287495.db2.gz VUCVGLFMPUZIFK-LBPRGKRZSA-N -1 3 382.482 3.625 20 0 GHADHM C[C@H](Cc1cccs1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172001059 856319352 /nfs/dbraw/zinc/31/93/52/856319352.db2.gz DSRKSCVXONSUTD-SNVBAGLBSA-N -1 3 391.290 3.713 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)N2CCCC2)cc1 ZINC000591818248 856325211 /nfs/dbraw/zinc/32/52/11/856325211.db2.gz GPPUPZOXBBQUIO-GOSISDBHSA-N -1 3 398.450 3.528 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)cs1 ZINC000109624985 856346255 /nfs/dbraw/zinc/34/62/55/856346255.db2.gz BAXSOVWUZOYRGQ-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3ccccc3Cl)c2)n1 ZINC000141301406 856379620 /nfs/dbraw/zinc/37/96/20/856379620.db2.gz XAUVHDXHTBWKIL-UHFFFAOYSA-N -1 3 382.851 3.703 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1C(=O)N(C)C(C)C ZINC000195343808 856380358 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Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cn1 ZINC000507888277 856631221 /nfs/dbraw/zinc/63/12/21/856631221.db2.gz MQMOILCEPFCOKD-UHFFFAOYSA-N -1 3 391.456 3.643 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cn1 ZINC000507888277 856631222 /nfs/dbraw/zinc/63/12/22/856631222.db2.gz MQMOILCEPFCOKD-UHFFFAOYSA-N -1 3 391.456 3.643 20 0 GHADHM CCN1CCC([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)(C(F)(F)F)CC1 ZINC000905826713 856637692 /nfs/dbraw/zinc/63/76/92/856637692.db2.gz ZSRDJGGKORGOLM-UHFFFAOYSA-N -1 3 399.791 3.668 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000507900498 856649498 /nfs/dbraw/zinc/64/94/98/856649498.db2.gz CLAAAJXZYQAKRK-HIFRSBDPSA-N -1 3 388.411 3.925 20 0 GHADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc2c(cc1[O-])OCO2 ZINC000436888372 856670106 /nfs/dbraw/zinc/67/01/06/856670106.db2.gz UFDDXGQNBYJFON-AWEZNQCLSA-N -1 3 377.343 3.530 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000482211253 862822339 /nfs/dbraw/zinc/82/23/39/862822339.db2.gz NCPJLRPHDGUYEH-UHFFFAOYSA-N -1 3 395.772 3.833 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(Cc2ccccc2F)n1 ZINC000605179952 862824617 /nfs/dbraw/zinc/82/46/17/862824617.db2.gz OIRPOLGNQDZRPG-UHFFFAOYSA-N -1 3 378.432 3.937 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482235476 862839706 /nfs/dbraw/zinc/83/97/06/862839706.db2.gz DDKNJABLGLZSFK-UHFFFAOYSA-N -1 3 397.276 3.758 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c(F)c1 ZINC000508112995 856900062 /nfs/dbraw/zinc/90/00/62/856900062.db2.gz PHLMXPQMLPLOOX-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(Br)c1 ZINC000542936735 856959372 /nfs/dbraw/zinc/95/93/72/856959372.db2.gz VHEPXGASZUERMH-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC2(CCC2)CC1 ZINC000672255186 856999293 /nfs/dbraw/zinc/99/92/93/856999293.db2.gz GJONINMYRZSSFO-UHFFFAOYSA-N -1 3 375.266 3.697 20 0 GHADHM O=c1nc(CN2CCOC3(CCCCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000173582380 857007913 /nfs/dbraw/zinc/00/79/13/857007913.db2.gz SMLOWSQRWVWVJG-UHFFFAOYSA-N -1 3 385.489 3.780 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)s1 ZINC000906389378 857074805 /nfs/dbraw/zinc/07/48/05/857074805.db2.gz VDSAKCGAQQCOOI-ZDUSSCGKSA-N -1 3 393.513 3.531 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)(F)F ZINC000476578798 857103463 /nfs/dbraw/zinc/10/34/63/857103463.db2.gz UHBNJEUKWPJSPE-ZCFIWIBFSA-N -1 3 380.613 3.579 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cccc(Br)c1Cl ZINC000790138705 879478259 /nfs/dbraw/zinc/47/82/59/879478259.db2.gz IFVOWAUPFVQPCN-ZCFIWIBFSA-N -1 3 393.517 3.575 20 0 GHADHM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000671711151 857248172 /nfs/dbraw/zinc/24/81/72/857248172.db2.gz VIIGZYWPAQPTKB-CABZTGNLSA-N -1 3 399.394 3.809 20 0 GHADHM CCOC(=O)c1ncc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC000499539037 857319546 /nfs/dbraw/zinc/31/95/46/857319546.db2.gz IQFOPHFFQMWWDE-UHFFFAOYSA-N -1 3 377.809 3.881 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cn(-c3ccccc3Cl)nn2)s1 ZINC000058620509 857335640 /nfs/dbraw/zinc/33/56/40/857335640.db2.gz CFQCUPBJQUIWJL-UHFFFAOYSA-N -1 3 376.873 3.757 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1c[n-]c2ccccc2c1=O ZINC001128237411 857344714 /nfs/dbraw/zinc/34/47/14/857344714.db2.gz CGQXUFQXLSLQDO-CYBMUJFWSA-N -1 3 398.846 3.849 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)s1 ZINC000906934692 857381790 /nfs/dbraw/zinc/38/17/90/857381790.db2.gz BFWSCRHJRPOARL-OLZOCXBDSA-N -1 3 393.509 3.854 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000675452648 857382516 /nfs/dbraw/zinc/38/25/16/857382516.db2.gz SQJPDJANIGXSPX-UHFFFAOYSA-N -1 3 375.226 3.789 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2OC(F)F)C(F)(F)F)cn1 ZINC000509215708 862914807 /nfs/dbraw/zinc/91/48/07/862914807.db2.gz BOENOPQRQYSNNT-CYBMUJFWSA-N -1 3 396.337 3.573 20 0 GHADHM Cn1nccc1[C@H]1C[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000574278457 857492641 /nfs/dbraw/zinc/49/26/41/857492641.db2.gz JTBPJMQHZWLRPO-QVKFZJNVSA-N -1 3 393.443 3.568 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCc3ccccn3)cc2)cc1 ZINC000062931262 857587520 /nfs/dbraw/zinc/58/75/20/857587520.db2.gz RRBNHSLMJRTLMR-UHFFFAOYSA-N -1 3 395.484 3.762 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442232422 857624254 /nfs/dbraw/zinc/62/42/54/857624254.db2.gz KGHRYPHTGQXRFB-RTBURBONSA-N -1 3 375.490 3.732 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(Cl)cc1 ZINC000442235127 857661666 /nfs/dbraw/zinc/66/16/66/857661666.db2.gz AFOVGVCZQPWYFS-QZTJIDSGSA-N -1 3 381.881 3.823 20 0 GHADHM CSc1nc(Br)c(Nc2cc(F)cc(F)c2[O-])n2ccnc12 ZINC001212481865 857799630 /nfs/dbraw/zinc/79/96/30/857799630.db2.gz NJUDLHFGIVUSBF-UHFFFAOYSA-N -1 3 387.209 3.941 20 0 GHADHM COc1cccc(C[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482332030 862954692 /nfs/dbraw/zinc/95/46/92/862954692.db2.gz KXYCRQSMGMSGEB-GFCCVEGCSA-N -1 3 393.281 3.594 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(OCc3ccccc3)c2)c1 ZINC000065644260 857830318 /nfs/dbraw/zinc/83/03/18/857830318.db2.gz FNAJIZNBLRGYTF-UHFFFAOYSA-N -1 3 390.439 3.860 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486554446 857853658 /nfs/dbraw/zinc/85/36/58/857853658.db2.gz CAUONYYJHVLULV-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000574477067 857872111 /nfs/dbraw/zinc/87/21/11/857872111.db2.gz CVKOZDQYXVLJGQ-UHFFFAOYSA-N -1 3 399.415 3.757 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000486650157 857944336 /nfs/dbraw/zinc/94/43/36/857944336.db2.gz JXGMNRVEDQCTCN-INIZCTEOSA-N -1 3 389.293 3.929 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2nc3c(s2)CSCC3)s1 ZINC000908137978 857946405 /nfs/dbraw/zinc/94/64/05/857946405.db2.gz LFBCWOBNABCUSC-UHFFFAOYSA-N -1 3 398.535 3.988 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c(C)c1F ZINC000543031646 857964820 /nfs/dbraw/zinc/96/48/20/857964820.db2.gz NFCXJJKIDZIQKU-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM O=C([O-])c1ccc2cc(CCNC(=O)c3cccc(CN4CCCC4)c3)oc2c1 ZINC000908222875 857990481 /nfs/dbraw/zinc/99/04/81/857990481.db2.gz ZOBBZOCMZCLNHC-UHFFFAOYSA-N -1 3 392.455 3.699 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cc(F)ccc2Cl)ccc1F ZINC001128379985 858080939 /nfs/dbraw/zinc/08/09/39/858080939.db2.gz SEMNMETVTMLAJR-UHFFFAOYSA-N -1 3 389.807 3.524 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1Cc1ccccc1)c1cnccc1C(F)(F)F ZINC000442739877 858089494 /nfs/dbraw/zinc/08/94/94/858089494.db2.gz GBHBIFYTPVDQMM-GOEBONIOSA-N -1 3 384.423 3.790 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnccc1C(F)(F)F ZINC000442739617 858092526 /nfs/dbraw/zinc/09/25/26/858092526.db2.gz SDYFARDABMYWLY-NXEZZACHSA-N -1 3 390.349 3.747 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2c(C)nc([C@H](C)CC)nc2C)c([O-])c1 ZINC000594333141 858098231 /nfs/dbraw/zinc/09/82/31/858098231.db2.gz WBTGHWROJJSVQN-GFCCVEGCSA-N -1 3 385.464 3.670 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)[n-]1 ZINC000594352189 858101807 /nfs/dbraw/zinc/10/18/07/858101807.db2.gz UVQPXZMWTBNJBD-UHFFFAOYSA-N -1 3 397.353 3.545 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)c[n-]1 ZINC000594352189 858101812 /nfs/dbraw/zinc/10/18/12/858101812.db2.gz UVQPXZMWTBNJBD-UHFFFAOYSA-N -1 3 397.353 3.545 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2o1 ZINC000521771029 858298226 /nfs/dbraw/zinc/29/82/26/858298226.db2.gz LGBUEMRBHRNFKG-UHFFFAOYSA-N -1 3 377.400 3.552 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000443021094 858298939 /nfs/dbraw/zinc/29/89/39/858298939.db2.gz NOJLQGNCPQMSEN-LJQANCHMSA-N -1 3 391.464 3.822 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@H](C)c3ccc(OC)cc3)[n-]c(=O)c12 ZINC000594886864 858307873 /nfs/dbraw/zinc/30/78/73/858307873.db2.gz CGWWTXNBCSMJIG-NSHDSACASA-N -1 3 399.472 3.730 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000665302824 858322425 /nfs/dbraw/zinc/32/24/25/858322425.db2.gz CSWFIFHXDLQCGH-OAHLLOKOSA-N -1 3 392.377 3.622 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCc1ccccc1C ZINC000443106652 858364391 /nfs/dbraw/zinc/36/43/91/858364391.db2.gz RRXNGOTYAGGIQC-UHFFFAOYSA-N -1 3 389.498 3.517 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cccc(Br)c1F ZINC000443100036 858378134 /nfs/dbraw/zinc/37/81/34/858378134.db2.gz HACXVMRUHQEDHB-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079114575 858398745 /nfs/dbraw/zinc/39/87/45/858398745.db2.gz AQOFSJZNRAECFV-UHFFFAOYSA-N -1 3 389.696 3.832 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc1F ZINC000521972667 858502164 /nfs/dbraw/zinc/50/21/64/858502164.db2.gz ZCFAQMDUHWTFRT-ZDUSSCGKSA-N -1 3 390.798 3.993 20 0 GHADHM CCSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000595351565 858504396 /nfs/dbraw/zinc/50/43/96/858504396.db2.gz XDTBYDOATMXDNQ-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)CS(=O)(=O)c2cccc([O-])c2)C(C)C)cc1 ZINC000575126986 858573723 /nfs/dbraw/zinc/57/37/23/858573723.db2.gz MFNMABGKTHDXQJ-OAQYLSRUSA-N -1 3 389.517 3.803 20 0 GHADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478844614 858585570 /nfs/dbraw/zinc/58/55/70/858585570.db2.gz SRHFCOOHNBLJRU-HXUWFJFHSA-N -1 3 398.478 3.727 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cscc3Br)cc2)n1 ZINC000508418606 858610942 /nfs/dbraw/zinc/61/09/42/858610942.db2.gz QZKSXAMUJJIBJQ-UHFFFAOYSA-N -1 3 390.262 3.822 20 0 GHADHM Cc1cc(C)n(-c2ccc(C=C([O-])Nc3nc(-c4ccccc4)ns3)cc2)n1 ZINC000614689360 858642412 /nfs/dbraw/zinc/64/24/12/858642412.db2.gz NQTKOFWVQIOHQI-UHFFFAOYSA-N -1 3 389.484 3.611 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000443415719 858649370 /nfs/dbraw/zinc/64/93/70/858649370.db2.gz LUGCPGQZCVDXAS-UHFFFAOYSA-N -1 3 379.331 3.576 20 0 GHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000183350941 858725422 /nfs/dbraw/zinc/72/54/22/858725422.db2.gz BYJGEOXPNYURHZ-DJJJIMSYSA-N -1 3 382.501 3.783 20 0 GHADHM CC(C)(C)[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596022182 858762614 /nfs/dbraw/zinc/76/26/14/858762614.db2.gz UAHRUOVLAPAHFC-NSHDSACASA-N -1 3 381.641 3.534 20 0 GHADHM O=S(=O)(Cc1cc(Br)ccc1OC(F)F)c1cccc([O-])c1 ZINC000183979416 858851936 /nfs/dbraw/zinc/85/19/36/858851936.db2.gz AYEHBKJWMXFINI-UHFFFAOYSA-N -1 3 393.205 3.730 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(OCc3cccc(F)c3)cc2)[n-]1 ZINC000895237102 858855626 /nfs/dbraw/zinc/85/56/26/858855626.db2.gz UQPYUXLILPLIJP-CQSZACIVSA-N -1 3 398.438 3.550 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)n[n-]1 ZINC000895239775 858860860 /nfs/dbraw/zinc/86/08/60/858860860.db2.gz UMHPIWREPQQMJH-JTQLQIEISA-N -1 3 391.884 3.609 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)[n-]1 ZINC000895239775 858860865 /nfs/dbraw/zinc/86/08/65/858860865.db2.gz UMHPIWREPQQMJH-JTQLQIEISA-N -1 3 391.884 3.609 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)n1 ZINC000895239775 858860871 /nfs/dbraw/zinc/86/08/71/858860871.db2.gz UMHPIWREPQQMJH-JTQLQIEISA-N -1 3 391.884 3.609 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1 ZINC000068078431 858878133 /nfs/dbraw/zinc/87/81/33/858878133.db2.gz VKFWYHRHCFEGOS-UHFFFAOYSA-N -1 3 375.368 3.746 20 0 GHADHM CN(CCOc1ccccc1C(C)(C)C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000482850642 858905499 /nfs/dbraw/zinc/90/54/99/858905499.db2.gz ATUYZGKXPLLRLW-UHFFFAOYSA-N -1 3 378.472 3.977 20 0 GHADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000550519269 858951847 /nfs/dbraw/zinc/95/18/47/858951847.db2.gz WROGKAYWIRLFKW-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CCn1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(=O)c2cc(Cl)ccc21 ZINC000185422581 859081945 /nfs/dbraw/zinc/08/19/45/859081945.db2.gz ZSMNNDPHSPIWIY-UHFFFAOYSA-N -1 3 397.822 3.614 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000483180130 859193347 /nfs/dbraw/zinc/19/33/47/859193347.db2.gz UOXIXKHSMHYJCL-CQSZACIVSA-N -1 3 385.365 3.693 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000665371439 859213851 /nfs/dbraw/zinc/21/38/51/859213851.db2.gz IBTCQCIZMWUQLK-UHFFFAOYSA-N -1 3 399.541 3.682 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cccc2c1OCO2 ZINC000509384574 859254979 /nfs/dbraw/zinc/25/49/79/859254979.db2.gz FXQWQZSEVDUOPM-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000483276905 859264876 /nfs/dbraw/zinc/26/48/76/859264876.db2.gz PSPMLRUCETVOOI-NSHDSACASA-N -1 3 391.397 3.616 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509389842 859278140 /nfs/dbraw/zinc/27/81/40/859278140.db2.gz VPRXCIXOTKBFEU-UHFFFAOYSA-N -1 3 390.358 3.826 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068974067 859280483 /nfs/dbraw/zinc/28/04/83/859280483.db2.gz YKKBRVRWBPZRCY-UHFFFAOYSA-N -1 3 391.406 3.515 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068974067 859280494 /nfs/dbraw/zinc/28/04/94/859280494.db2.gz YKKBRVRWBPZRCY-UHFFFAOYSA-N -1 3 391.406 3.515 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cc(F)ccc1Br ZINC000466725468 859317855 /nfs/dbraw/zinc/31/78/55/859317855.db2.gz VCKJKVCNIRPPKH-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1F ZINC000069093664 859338815 /nfs/dbraw/zinc/33/88/15/859338815.db2.gz XQEGQHXFNYPHOE-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000923468216 859344404 /nfs/dbraw/zinc/34/44/04/859344404.db2.gz RJDYVDCYIONYFE-KZULUSFZSA-N -1 3 387.307 3.747 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3ccncc3)no2)c1 ZINC000113739756 859345067 /nfs/dbraw/zinc/34/50/67/859345067.db2.gz MCWCSODEMZHXBT-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000923469786 859347912 /nfs/dbraw/zinc/34/79/12/859347912.db2.gz YIMYDKSEJKPTQQ-HSZRJFAPSA-N -1 3 380.488 3.797 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)c1 ZINC000499738506 859436489 /nfs/dbraw/zinc/43/64/89/859436489.db2.gz FVGKUBHOAVCYPS-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM COc1ccc(NC(=S)NCc2ccc([O-])c(Br)c2)cc1F ZINC000764524370 859484604 /nfs/dbraw/zinc/48/46/04/859484604.db2.gz LMYZMBXKJFRDRG-UHFFFAOYSA-N -1 3 385.258 3.789 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc2ccsc2[nH]1 ZINC000611157106 859624953 /nfs/dbraw/zinc/62/49/53/859624953.db2.gz WPSDAGLVFKXGQM-UHFFFAOYSA-N -1 3 384.198 3.792 20 0 GHADHM C[C@@H](c1ccccn1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000543432692 859703330 /nfs/dbraw/zinc/70/33/30/859703330.db2.gz OOEAYXDZDKLJKK-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)C2CCC2)c(C)c1Cl ZINC001211884768 859705901 /nfs/dbraw/zinc/70/59/01/859705901.db2.gz XOHDYNCZFAAVGJ-UHFFFAOYSA-N -1 3 379.931 3.601 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(C3CCCCC3)nc2C)s1 ZINC000611400326 859737811 /nfs/dbraw/zinc/73/78/11/859737811.db2.gz IOVSJPRVJUDUJQ-UHFFFAOYSA-N -1 3 380.495 3.780 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000613224768 859775514 /nfs/dbraw/zinc/77/55/14/859775514.db2.gz ZUSFXIHHCYGEMG-UHFFFAOYSA-N -1 3 383.469 3.815 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c1[O-] ZINC000163508304 859882309 /nfs/dbraw/zinc/88/23/09/859882309.db2.gz ALQXNZFIGHTAKX-INIZCTEOSA-N -1 3 384.476 3.689 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000668335354 859916139 /nfs/dbraw/zinc/91/61/39/859916139.db2.gz RWJVCNPAVKRNJK-UHFFFAOYSA-N -1 3 383.882 3.602 20 0 GHADHM C/C=C(/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)CC ZINC000765425904 859964727 /nfs/dbraw/zinc/96/47/27/859964727.db2.gz DVHVBHUNGRBVST-WEKRPSOOSA-N -1 3 376.400 3.928 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cscc2C(F)F)cc1OC ZINC000895805558 859970865 /nfs/dbraw/zinc/97/08/65/859970865.db2.gz FASBDBSHXBUOKS-UHFFFAOYSA-N -1 3 390.433 3.708 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(CC(=O)[N-]OCc4ccccc4)CC3)c2c1 ZINC000765493143 860003709 /nfs/dbraw/zinc/00/37/09/860003709.db2.gz SJSWPKDLUPAGIP-UHFFFAOYSA-N -1 3 393.487 3.604 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1c(Cl)nc2cc(Cl)ccn21)C(=O)[O-] ZINC000904013589 860023150 /nfs/dbraw/zinc/02/31/50/860023150.db2.gz IDQLDJIMOGCPAD-GFCCVEGCSA-N -1 3 388.320 3.883 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000727350499 860049845 /nfs/dbraw/zinc/04/98/45/860049845.db2.gz ONXANEMCXCNPPP-FPLPWBNLSA-N -1 3 377.775 3.671 20 0 GHADHM Cn1ccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)n1 ZINC000499869246 860055807 /nfs/dbraw/zinc/05/58/07/860055807.db2.gz JDKYRXIRGBFKNE-KRWDZBQOSA-N -1 3 376.243 3.952 20 0 GHADHM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc([O-])c2ccccc2c1 ZINC000525922099 860133850 /nfs/dbraw/zinc/13/38/50/860133850.db2.gz PPSJOZGQHSFNPV-NRFANRHFSA-N -1 3 390.439 3.593 20 0 GHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000526893983 860162259 /nfs/dbraw/zinc/16/22/59/860162259.db2.gz UTNQTQAVEKVCFY-LJQANCHMSA-N -1 3 378.403 3.562 20 0 GHADHM Cc1cccc([C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)N2CCOCC2)c1 ZINC000471746701 860189825 /nfs/dbraw/zinc/18/98/25/860189825.db2.gz JZFQPZXYOKFLPF-JOCHJYFZSA-N -1 3 390.483 3.657 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000761269940 860193463 /nfs/dbraw/zinc/19/34/63/860193463.db2.gz AGTPGDWVRKCYJO-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCC(OCc4ccccc4)CC3)o2)CC1 ZINC000904191958 860218315 /nfs/dbraw/zinc/21/83/15/860218315.db2.gz UTBBJABOWJMRPJ-UHFFFAOYSA-N -1 3 398.503 3.762 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2OC2CCCC2)c(=O)[n-]1 ZINC000428887629 860221446 /nfs/dbraw/zinc/22/14/46/860221446.db2.gz LMKAJVDDZKFRFM-UHFFFAOYSA-N -1 3 375.856 3.955 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000624921694 860231765 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CS(=O)(=O)c1ccc(C(=O)[N-]c2nc3cc(C(F)(F)F)ccc3s2)o1 ZINC000603041611 860453585 /nfs/dbraw/zinc/45/35/85/860453585.db2.gz PPJVGTMFGLLSMU-UHFFFAOYSA-N -1 3 390.364 3.564 20 0 GHADHM COc1ccc(-c2noc(-c3c[n-]c(=NC(=O)OC(C)(C)C)s3)n2)cn1 ZINC000904526468 860495859 /nfs/dbraw/zinc/49/58/59/860495859.db2.gz FETHNJHXEDNFJU-UHFFFAOYSA-N -1 3 375.410 3.611 20 0 GHADHM CCCCc1nc(NC(=O)C(F)(F)c2cccc(OC)c2)c(C(=O)OCC)[n-]1 ZINC001127964756 860534355 /nfs/dbraw/zinc/53/43/55/860534355.db2.gz JHGRUKZLHVLJLG-UHFFFAOYSA-N -1 3 395.406 3.668 20 0 GHADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C(F)(F)c2cccc(OC)c2)[n-]1 ZINC001127964756 860534360 /nfs/dbraw/zinc/53/43/60/860534360.db2.gz JHGRUKZLHVLJLG-UHFFFAOYSA-N -1 3 395.406 3.668 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC000116404477 860560408 /nfs/dbraw/zinc/56/04/08/860560408.db2.gz IVQIPAVGCBHTRC-UHFFFAOYSA-N -1 3 395.390 3.607 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(Cc2ccccc2)n1 ZINC000484972264 860561612 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O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Br)ccc1[O-] ZINC000176432442 860873340 /nfs/dbraw/zinc/87/33/40/860873340.db2.gz LHMDGTNUNVBRRE-UHFFFAOYSA-N -1 3 394.250 3.838 20 0 GHADHM CCO[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000623342807 860890872 /nfs/dbraw/zinc/89/08/72/860890872.db2.gz PIGLNAOPQLULQC-IBGZPJMESA-N -1 3 388.489 3.549 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1ccc(C(F)(F)F)cc1 ZINC000730204428 860952141 /nfs/dbraw/zinc/95/21/41/860952141.db2.gz VQXLUUDKOLQXDE-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM COc1cc(C)cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1O ZINC000730357651 861052060 /nfs/dbraw/zinc/05/20/60/861052060.db2.gz AORQTSYKJNUYDV-JTQLQIEISA-N -1 3 388.445 3.954 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2nccs2)CC1 ZINC000157168853 861065977 /nfs/dbraw/zinc/06/59/77/861065977.db2.gz AUTSOHPLNKLMTP-UHFFFAOYSA-N -1 3 381.457 3.603 20 0 GHADHM C[C@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(Cl)c2ccccc21 ZINC000185663507 861134346 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C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605896317 863274660 /nfs/dbraw/zinc/27/46/60/863274660.db2.gz DDOGKJOPHLZJBN-OXFYSEKESA-N -1 3 396.462 3.541 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182874098 863386806 /nfs/dbraw/zinc/38/68/06/863386806.db2.gz UMQMVFMOVXTBNL-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000606537328 863693904 /nfs/dbraw/zinc/69/39/04/863693904.db2.gz BPVXZNGJXLTPNT-UHFFFAOYSA-N -1 3 390.212 3.614 20 0 GHADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000606751955 863819407 /nfs/dbraw/zinc/81/94/07/863819407.db2.gz HAARENPBUZWTBA-UHFFFAOYSA-N -1 3 375.759 3.807 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1nccs1 ZINC000606911813 863933893 /nfs/dbraw/zinc/93/38/93/863933893.db2.gz BCKHJCLFDJVUBJ-INIZCTEOSA-N -1 3 379.532 3.870 20 0 GHADHM Cc1cccc(NC(=O)CN(C)C(=O)c2cc([O-])cc(C(F)(F)F)c2)c1C ZINC000621265829 863983068 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CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000104366340 864307746 /nfs/dbraw/zinc/30/77/46/864307746.db2.gz DDTOKGHZLXTVQF-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000104366340 864307754 /nfs/dbraw/zinc/30/77/54/864307754.db2.gz DDTOKGHZLXTVQF-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000554439925 864310820 /nfs/dbraw/zinc/31/08/20/864310820.db2.gz GOTWVPGLJSNFSX-INIZCTEOSA-N -1 3 391.258 3.668 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000665594540 864338190 /nfs/dbraw/zinc/33/81/90/864338190.db2.gz FRVXFOQFYIQSIE-UHFFFAOYSA-N -1 3 384.501 3.670 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2OC(F)F)c(Cl)c1 ZINC001141991345 864361602 /nfs/dbraw/zinc/36/16/02/864361602.db2.gz UTEHBQFGVKYIMO-UHFFFAOYSA-N -1 3 390.795 3.565 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000554534893 864494084 /nfs/dbraw/zinc/49/40/84/864494084.db2.gz 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CC1(C)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000607703354 864678499 /nfs/dbraw/zinc/67/84/99/864678499.db2.gz DMUPWEMHTUSZKV-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC3CCN(c4ccc(Cl)cn4)CC3)n[n-]2)o1 ZINC000735218776 864687584 /nfs/dbraw/zinc/68/75/84/864687584.db2.gz WFHREXXSQPGEPD-UHFFFAOYSA-N -1 3 386.839 3.852 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC3CCN(c4ccc(Cl)cn4)CC3)[n-]n2)o1 ZINC000735218776 864687591 /nfs/dbraw/zinc/68/75/91/864687591.db2.gz WFHREXXSQPGEPD-UHFFFAOYSA-N -1 3 386.839 3.852 20 0 GHADHM O=c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2[nH]1 ZINC000607724514 864695368 /nfs/dbraw/zinc/69/53/68/864695368.db2.gz QIFHPZYJHJBAOI-UHFFFAOYSA-N -1 3 383.256 3.726 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000735251707 864698243 /nfs/dbraw/zinc/69/82/43/864698243.db2.gz QQKARSUKZJJKDX-AWEZNQCLSA-N -1 3 384.517 3.555 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1cccc(Br)c1Cl ZINC000671168251 864742413 /nfs/dbraw/zinc/74/24/13/864742413.db2.gz UGHXBGHNCSRXAT-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM CC1CCN(C(=O)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000444339155 864837248 /nfs/dbraw/zinc/83/72/48/864837248.db2.gz OVHIPDBKFBICSB-UHFFFAOYSA-N -1 3 395.484 3.866 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)cc1Cl ZINC000499266003 881813616 /nfs/dbraw/zinc/81/36/16/881813616.db2.gz LWVYGAFRUAYRIM-UHFFFAOYSA-N -1 3 386.260 3.988 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000608031996 864935768 /nfs/dbraw/zinc/93/57/68/864935768.db2.gz LYUWXEFCWJCWRW-CVEARBPZSA-N -1 3 384.270 3.597 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000608111280 864989519 /nfs/dbraw/zinc/98/95/19/864989519.db2.gz RBSZHOZTCKYKBD-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccccn2)cc1 ZINC000480631299 865013605 /nfs/dbraw/zinc/01/36/05/865013605.db2.gz QLMKNYMJIKPNJP-LJQANCHMSA-N -1 3 392.402 3.875 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000480651413 865043176 /nfs/dbraw/zinc/04/31/76/865043176.db2.gz WVUJMHLTPSTUAW-UHFFFAOYSA-N -1 3 382.371 3.632 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC4(CCCC4)C3)nc(=O)c2c1C ZINC000173821414 865118720 /nfs/dbraw/zinc/11/87/20/865118720.db2.gz YMBKQLZHVONBPX-ZDUSSCGKSA-N -1 3 389.521 3.797 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000554928784 865187965 /nfs/dbraw/zinc/18/79/65/865187965.db2.gz RNVBEHKODLPNHF-QDMKHBRRSA-N -1 3 380.535 3.682 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1nc(-c2ccccc2)no1 ZINC000121001775 881857672 /nfs/dbraw/zinc/85/76/72/881857672.db2.gz ZWMDDOFPPVGDEJ-LLVKDONJSA-N -1 3 395.843 3.611 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(N[C@H](C)c2nnc(C)o2)cc1 ZINC000737031390 865352145 /nfs/dbraw/zinc/35/21/45/865352145.db2.gz BBMFKOSUZZLCEI-LLVKDONJSA-N -1 3 393.407 3.532 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(N[C@H](C)c2nnc(C)o2)cc1 ZINC000737031390 865352161 /nfs/dbraw/zinc/35/21/61/865352161.db2.gz BBMFKOSUZZLCEI-LLVKDONJSA-N -1 3 393.407 3.532 20 0 GHADHM Cn1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c(C2CCCCC2)n1 ZINC000899144172 865367588 /nfs/dbraw/zinc/36/75/88/865367588.db2.gz BFSKOMKBRKFQNL-UHFFFAOYSA-N -1 3 386.402 3.840 20 0 GHADHM Cc1cc(C(=O)CSc2ccccc2-c2nnn[n-]2)c(C)n1CC(F)(F)F ZINC000737226996 865377855 /nfs/dbraw/zinc/37/78/55/865377855.db2.gz GYTLAUCWHBIEGM-UHFFFAOYSA-N -1 3 395.410 3.822 20 0 GHADHM Cc1cc(C(=O)CSc2ccccc2-c2nn[n-]n2)c(C)n1CC(F)(F)F ZINC000737226996 865377873 /nfs/dbraw/zinc/37/78/73/865377873.db2.gz GYTLAUCWHBIEGM-UHFFFAOYSA-N -1 3 395.410 3.822 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000737588599 865411919 /nfs/dbraw/zinc/41/19/19/865411919.db2.gz JGUIODUHTABLOP-RHSMWYFYSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000737762085 865433339 /nfs/dbraw/zinc/43/33/39/865433339.db2.gz YYEMDMNIIYWIMC-CQSZACIVSA-N -1 3 380.897 3.674 20 0 GHADHM O=S(=O)([N-]CCc1nc(C2CCCC2)no1)c1c(Cl)cccc1Cl ZINC000172046435 865469703 /nfs/dbraw/zinc/46/97/03/865469703.db2.gz DZNPUIAPALMKHO-UHFFFAOYSA-N -1 3 390.292 3.555 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2ccccc2Cc2ccccc2)[n-]1 ZINC000193540787 881873947 /nfs/dbraw/zinc/87/39/47/881873947.db2.gz DAGPWRQTQQCVDY-UHFFFAOYSA-N -1 3 381.457 3.518 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC1CCC(c2ccccc2)CC1 ZINC000738099335 865485707 /nfs/dbraw/zinc/48/57/07/865485707.db2.gz GSZSFJLHSCECDV-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC1CCC(c2ccccc2)CC1 ZINC000738099335 865485712 /nfs/dbraw/zinc/48/57/12/865485712.db2.gz GSZSFJLHSCECDV-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3nnc(-c4ccccc4)o3)nc2)n1 ZINC000301749257 865521799 /nfs/dbraw/zinc/52/17/99/865521799.db2.gz SWXQXRXNDCLPQI-UHFFFAOYSA-N -1 3 388.431 3.511 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C1[C@H]2CCCCCC[C@H]12 ZINC000622887501 865680398 /nfs/dbraw/zinc/68/03/98/865680398.db2.gz YKXXINOFTXCSLN-UWVGGRQHSA-N -1 3 394.235 3.785 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481032149 865686290 /nfs/dbraw/zinc/68/62/90/865686290.db2.gz CUZSAYDCJXZKLZ-UHFFFAOYSA-N -1 3 385.390 3.769 20 0 GHADHM CC(C)(C)c1noc(CCCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)n1 ZINC000622891284 865702117 /nfs/dbraw/zinc/70/21/17/865702117.db2.gz QKWNYSWUSKYXQC-UHFFFAOYSA-N -1 3 387.871 3.794 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)nn1-c1ccccc1 ZINC000622891132 865703092 /nfs/dbraw/zinc/70/30/92/865703092.db2.gz GZAACOWHLRNJQT-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM Cn1cncc1CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000193632230 881903521 /nfs/dbraw/zinc/90/35/21/881903521.db2.gz UDMVTDKAWPROFY-UHFFFAOYSA-N -1 3 378.457 3.974 20 0 GHADHM COCCc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000189567971 881917014 /nfs/dbraw/zinc/91/70/14/881917014.db2.gz BQUVRHRUPXLMOJ-UHFFFAOYSA-N -1 3 379.254 3.665 20 0 GHADHM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623015911 865919758 /nfs/dbraw/zinc/91/97/58/865919758.db2.gz BCWRLENNVLLYIK-UHFFFAOYSA-N -1 3 378.350 3.899 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)no1 ZINC000555338890 865925030 /nfs/dbraw/zinc/92/50/30/865925030.db2.gz JTWMCFJLFMMAQX-UHFFFAOYSA-N -1 3 393.415 3.602 20 0 GHADHM CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000740750505 865993655 /nfs/dbraw/zinc/99/36/55/865993655.db2.gz TYOUDEUHUHWFMD-HNNXBMFYSA-N -1 3 384.432 3.535 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCCC[C@@H]3CCC(C)C)c(=O)c2c(OC)c1 ZINC000626110323 866078424 /nfs/dbraw/zinc/07/84/24/866078424.db2.gz XUVHEGGHJRGCGG-OAHLLOKOSA-N -1 3 386.492 3.976 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1n1cccn1 ZINC000456630760 866080824 /nfs/dbraw/zinc/08/08/24/866080824.db2.gz DZADWLIVNVWYPB-DFQSSKMNSA-N -1 3 379.460 3.669 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCc2ccsc2C1 ZINC000534208117 866274438 /nfs/dbraw/zinc/27/44/38/866274438.db2.gz FBEPBOLQLWZYGD-UHFFFAOYSA-N -1 3 389.274 3.551 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1nc2ccccc2n1C(F)F ZINC000475568789 866309185 /nfs/dbraw/zinc/30/91/85/866309185.db2.gz VOWHWIABGWTVTM-LLVKDONJSA-N -1 3 383.395 3.918 20 0 GHADHM Cc1cc(Cl)c(C(=O)NN=c2[n-]c(Br)cn3ccnc23)cc1C ZINC000183225621 866405141 /nfs/dbraw/zinc/40/51/41/866405141.db2.gz ZBTXIDJPXFOVRZ-UHFFFAOYSA-N -1 3 394.660 3.519 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1ccc(Br)cc1F ZINC000475580874 866416551 /nfs/dbraw/zinc/41/65/51/866416551.db2.gz MCTAMEWHHSPEKF-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000534267291 866441369 /nfs/dbraw/zinc/44/13/69/866441369.db2.gz DBPOWQXDERILOB-SJLPKXTDSA-N -1 3 384.480 3.873 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295317 881983017 /nfs/dbraw/zinc/98/30/17/881983017.db2.gz VCTJPTPGTMZFAR-AAEUAGOBSA-N -1 3 386.805 3.931 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](C4CCCCCC4)C3=O)cc2)cc(=O)[n-]1 ZINC000653472111 866604776 /nfs/dbraw/zinc/60/47/76/866604776.db2.gz GKCFZNANUJCAGH-LJQANCHMSA-N -1 3 380.448 3.553 20 0 GHADHM CC(C)CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000620280549 866637051 /nfs/dbraw/zinc/63/70/51/866637051.db2.gz ANYUSSGDHBCZAV-UHFFFAOYSA-N -1 3 390.480 3.935 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000741746952 866752998 /nfs/dbraw/zinc/75/29/98/866752998.db2.gz BNNVCKULWPHKKT-OAHLLOKOSA-N -1 3 392.411 3.733 20 0 GHADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000444544109 866853479 /nfs/dbraw/zinc/85/34/79/866853479.db2.gz KIWQFZJNGRPQAN-UHFFFAOYSA-N -1 3 384.476 3.967 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](C(C)(C)C)C2)cc1OC ZINC000478912732 866866654 /nfs/dbraw/zinc/86/66/54/866866654.db2.gz RQECDYLOUNBSBZ-AWEZNQCLSA-N -1 3 397.541 3.747 20 0 GHADHM Cn1ccnc1[C@H](CC(=O)Nc1cc(Br)ccc1[O-])C(F)(F)F ZINC000553163176 866928195 /nfs/dbraw/zinc/92/81/95/866928195.db2.gz IGDOIZRCJYNJAZ-VIFPVBQESA-N -1 3 392.175 3.563 20 0 GHADHM COc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000153614460 866985480 /nfs/dbraw/zinc/98/54/80/866985480.db2.gz FGVWJDGLFHPTKE-UHFFFAOYSA-N -1 3 392.858 3.588 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1F ZINC000742002029 866999212 /nfs/dbraw/zinc/99/92/12/866999212.db2.gz YKOZZUCCYNHUPM-IJEWVQPXSA-N -1 3 396.528 3.601 20 0 GHADHM CCn1nc(C)c([N-]S(=O)(=O)/C=C/c2ccccc2Br)c1C ZINC000742030748 867019036 /nfs/dbraw/zinc/01/90/36/867019036.db2.gz DZNRWUFTPMSMHQ-MDZDMXLPSA-N -1 3 384.299 3.695 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@H]2CC(C)C)cc1OC ZINC000466975617 867095690 /nfs/dbraw/zinc/09/56/90/867095690.db2.gz FABQKTACAMQTEF-INIZCTEOSA-N -1 3 397.541 3.889 20 0 GHADHM COc1cc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)cc(OC)c1[O-] ZINC000456809985 867162262 /nfs/dbraw/zinc/16/22/62/867162262.db2.gz MCKAXRLSALBYLP-UHFFFAOYSA-N -1 3 391.414 3.783 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479133682 867200969 /nfs/dbraw/zinc/20/09/69/867200969.db2.gz TZZWCIAVLXEBDI-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000742330910 867211646 /nfs/dbraw/zinc/21/16/46/867211646.db2.gz WPSLWLXXVHAABN-VHSXEESVSA-N -1 3 384.748 3.665 20 0 GHADHM CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000620746101 867235872 /nfs/dbraw/zinc/23/58/72/867235872.db2.gz ZDPARRVYOGOPGL-UHFFFAOYSA-N -1 3 376.453 3.545 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 ZINC000742344950 867242460 /nfs/dbraw/zinc/24/24/60/867242460.db2.gz DKMSSFKMCFECTB-NSHDSACASA-N -1 3 395.695 3.708 20 0 GHADHM O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1cc([O-])ccc1Cl ZINC000620761483 867290851 /nfs/dbraw/zinc/29/08/51/867290851.db2.gz MNSZECYIYBCSKP-QGZVFWFLSA-N -1 3 375.852 3.671 20 0 GHADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1c(F)cccc1OC(F)(F)F ZINC000553479753 867488046 /nfs/dbraw/zinc/48/80/46/867488046.db2.gz MIKLSWUFKPBFMQ-UHFFFAOYSA-N -1 3 389.370 3.949 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cccc3cncc(Br)c32)c2ccccc21 ZINC000766284415 867575674 /nfs/dbraw/zinc/57/56/74/867575674.db2.gz RSBBNZZIMZMDBH-ZROIWOOFSA-N -1 3 394.228 3.720 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cc(F)ccc1F ZINC000553500885 867584917 /nfs/dbraw/zinc/58/49/17/867584917.db2.gz DGKPPAZAPUQTDS-GFCCVEGCSA-N -1 3 380.338 3.808 20 0 GHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1Br ZINC000920422535 882098132 /nfs/dbraw/zinc/09/81/32/882098132.db2.gz BYMQCCUGTLYHRO-NSHDSACASA-N -1 3 398.278 3.739 20 0 GHADHM CCC(CC)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)SC ZINC000742842253 867599504 /nfs/dbraw/zinc/59/95/04/867599504.db2.gz KFPFKZNLFJXMPF-UHFFFAOYSA-N -1 3 397.338 3.942 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1)C(C)C ZINC000743047957 867783024 /nfs/dbraw/zinc/78/30/24/867783024.db2.gz REDHUACJNKIDFT-UHFFFAOYSA-N -1 3 389.521 3.705 20 0 GHADHM Cc1ccc(-c2cnc(C[S@@](=O)Cc3nc(C(F)(F)F)cc(=O)[n-]3)o2)cc1 ZINC000155263092 867842071 /nfs/dbraw/zinc/84/20/71/867842071.db2.gz UDWMHSKCMYFQGH-HHHXNRCGSA-N -1 3 397.378 3.613 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2cccc(Br)c2)CC1 ZINC000155417868 867900306 /nfs/dbraw/zinc/90/03/06/867900306.db2.gz JJDREUVZSOUPHG-UHFFFAOYSA-N -1 3 379.229 3.782 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1I ZINC000479517225 867943647 /nfs/dbraw/zinc/94/36/47/867943647.db2.gz MULLFNPREVCENH-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000133311562 882167257 /nfs/dbraw/zinc/16/72/57/882167257.db2.gz QBUBDAFWGSWNKH-CQSZACIVSA-N -1 3 381.270 3.561 20 0 GHADHM CCCOc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(OC)c1 ZINC000648431135 882168868 /nfs/dbraw/zinc/16/88/68/882168868.db2.gz IYDNAQJXBOQLRW-UHFFFAOYSA-N -1 3 391.777 3.570 20 0 GHADHM C[C@]1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCN1Cc1ccccc1 ZINC000154829014 868273401 /nfs/dbraw/zinc/27/34/01/868273401.db2.gz 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C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)C[C@H](C)O1 ZINC000445456508 868490968 /nfs/dbraw/zinc/49/09/68/868490968.db2.gz ONILVYAXMQVRPT-OKILXGFUSA-N -1 3 383.423 3.858 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)[n-]1 ZINC000763640012 868597968 /nfs/dbraw/zinc/59/79/68/868597968.db2.gz APNVGYOEALVFDM-CQSZACIVSA-N -1 3 380.448 3.866 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c[n-]1 ZINC000763640012 868597976 /nfs/dbraw/zinc/59/79/76/868597976.db2.gz APNVGYOEALVFDM-CQSZACIVSA-N -1 3 380.448 3.866 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000744212648 868667523 /nfs/dbraw/zinc/66/75/23/868667523.db2.gz IISXKGPYWCGAPN-HWWDLCQESA-N -1 3 383.510 3.583 20 0 GHADHM Cc1c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cnn1-c1ccccc1 ZINC000744217154 868672649 /nfs/dbraw/zinc/67/26/49/868672649.db2.gz HIKORQLVFJFDHZ-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)NC(=O)CC3CCCCC3)c2)n1 ZINC000744218816 868674384 /nfs/dbraw/zinc/67/43/84/868674384.db2.gz TUKJXEVSBZXWPK-HNNXBMFYSA-N -1 3 397.475 3.538 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)s1 ZINC000648431380 882214552 /nfs/dbraw/zinc/21/45/52/882214552.db2.gz SRKJCMXKSSNKGH-UHFFFAOYSA-N -1 3 377.697 3.853 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)o3)no2)ccc1F ZINC000445604254 868707126 /nfs/dbraw/zinc/70/71/26/868707126.db2.gz KSXNEMKBOLDONN-UHFFFAOYSA-N -1 3 399.831 3.866 20 0 GHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cnc(C(F)(F)F)nc1 ZINC000157649238 868716750 /nfs/dbraw/zinc/71/67/50/868716750.db2.gz JZUNEFIAYJEJIG-UHFFFAOYSA-N -1 3 382.086 3.788 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1coc(C2CCCCC2)n1 ZINC000648432074 882225701 /nfs/dbraw/zinc/22/57/01/882225701.db2.gz OURXQEPBEPZGPA-UHFFFAOYSA-N -1 3 376.766 3.809 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433989 882231376 /nfs/dbraw/zinc/23/13/76/882231376.db2.gz XVMQEXFIJWUMKU-MRVPVSSYSA-N -1 3 382.169 3.580 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000524294047 868856025 /nfs/dbraw/zinc/85/60/25/868856025.db2.gz MAMYICYSGAHXLX-UHFFFAOYSA-N -1 3 386.814 3.504 20 0 GHADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000503736505 868919662 /nfs/dbraw/zinc/91/96/62/868919662.db2.gz NJMFEIQIJRCTMS-UHFFFAOYSA-N -1 3 379.881 3.660 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccco1 ZINC000445744484 868924706 /nfs/dbraw/zinc/92/47/06/868924706.db2.gz VQLWLYUMQBTQPD-UHFFFAOYSA-N -1 3 390.288 3.613 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)c([O-])c1 ZINC000535542824 868942882 /nfs/dbraw/zinc/94/28/82/868942882.db2.gz UOZRDRIXGUTMCZ-UHFFFAOYSA-N -1 3 379.416 3.624 20 0 GHADHM COCCCOc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000445752815 868950093 /nfs/dbraw/zinc/95/00/93/868950093.db2.gz RCDSNJYCUYSQBF-UHFFFAOYSA-N -1 3 386.404 3.542 20 0 GHADHM CCOCCCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000524418449 869044454 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GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(F)cc2Br)cc1[O-] ZINC000745652942 869721088 /nfs/dbraw/zinc/72/10/88/869721088.db2.gz NGXRUUYYWWVEQY-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)cc1[O-] ZINC000745653705 869722383 /nfs/dbraw/zinc/72/23/83/869722383.db2.gz TVHMZJKDUSZONC-NSHDSACASA-N -1 3 383.360 3.539 20 0 GHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000462600056 869746590 /nfs/dbraw/zinc/74/65/90/869746590.db2.gz DZHKTYNJTBNYHR-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccccc1Cl ZINC000462706180 869935835 /nfs/dbraw/zinc/93/58/35/869935835.db2.gz RPHIFVUIJRADCK-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)cc1OCC ZINC000920756862 882358546 /nfs/dbraw/zinc/35/85/46/882358546.db2.gz GDOBYVRDYRDSJJ-UHFFFAOYSA-N -1 3 390.505 3.667 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F ZINC000446617698 870100329 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0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192326625 870290450 /nfs/dbraw/zinc/29/04/50/870290450.db2.gz NWIMCGURAKUBEG-IAGOWNOFSA-N -1 3 388.508 3.914 20 0 GHADHM CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000793735409 882396296 /nfs/dbraw/zinc/39/62/96/882396296.db2.gz MLLPCECIWXTRCI-JQWIXIFHSA-N -1 3 391.249 3.513 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2Br)cnc1Cl ZINC001192570671 870483916 /nfs/dbraw/zinc/48/39/16/870483916.db2.gz PWZBTAYTOQEHQT-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(Br)n1 ZINC001192529016 870488734 /nfs/dbraw/zinc/48/87/34/870488734.db2.gz FAXNXFFVBBLJIO-UHFFFAOYSA-N -1 3 390.690 3.619 20 0 GHADHM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001192537158 870500403 /nfs/dbraw/zinc/50/04/03/870500403.db2.gz NOMPWGHOTWAQHL-UHFFFAOYSA-N -1 3 383.280 3.520 20 0 GHADHM Cc1cc(Br)c(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)s1 ZINC001192687929 870600477 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Cc1nc(C)c(CC(=O)OCc2ccc(OCc3cccs3)cc2)c(=O)[n-]1 ZINC000746471566 870832609 /nfs/dbraw/zinc/83/26/09/870832609.db2.gz JLMNBHZHKXTHLA-UHFFFAOYSA-N -1 3 384.457 3.725 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)[n-]1 ZINC000617870273 870984757 /nfs/dbraw/zinc/98/47/57/870984757.db2.gz JURSHUFCBQYWCI-UHFFFAOYSA-N -1 3 391.427 3.687 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c[n-]1 ZINC000617870273 870984774 /nfs/dbraw/zinc/98/47/74/870984774.db2.gz JURSHUFCBQYWCI-UHFFFAOYSA-N -1 3 391.427 3.687 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)[n-]1 ZINC000617872310 870984985 /nfs/dbraw/zinc/98/49/85/870984985.db2.gz RIMWQXBBUOMECR-UHFFFAOYSA-N -1 3 392.774 3.595 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c[n-]1 ZINC000617872310 870984997 /nfs/dbraw/zinc/98/49/97/870984997.db2.gz RIMWQXBBUOMECR-UHFFFAOYSA-N -1 3 392.774 3.595 20 0 GHADHM Cc1c(C(F)(F)F)cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1C(F)(F)F ZINC001193278772 871000273 /nfs/dbraw/zinc/00/02/73/871000273.db2.gz BKDCYSZSWZFNOK-JTQLQIEISA-N -1 3 391.333 3.953 20 0 GHADHM Cc1ccc(F)cc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545699251 871103187 /nfs/dbraw/zinc/10/31/87/871103187.db2.gz AROCGDKNYSMWGH-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)[nH][n-]1 ZINC000540421454 871239340 /nfs/dbraw/zinc/23/93/40/871239340.db2.gz GKOFSKDUPUNPEK-JOCHJYFZSA-N -1 3 390.487 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)C(F)(F)F)cc2)cc1 ZINC000463243281 871249761 /nfs/dbraw/zinc/24/97/61/871249761.db2.gz NVGBFQXCYXHHCN-GFCCVEGCSA-N -1 3 386.395 3.933 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000447269620 871293660 /nfs/dbraw/zinc/29/36/60/871293660.db2.gz DMXDURQPZZLCOH-UHFFFAOYSA-N -1 3 391.493 3.563 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1 ZINC000447277876 871307880 /nfs/dbraw/zinc/30/78/80/871307880.db2.gz KLWUMGMQVCMCKQ-UHFFFAOYSA-N -1 3 377.315 3.570 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)cc1F ZINC001193798881 871313755 /nfs/dbraw/zinc/31/37/55/871313755.db2.gz IDULRELXVHUZLQ-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645608128 882503529 /nfs/dbraw/zinc/50/35/29/882503529.db2.gz CCLRASRBKMDXFZ-QMMMGPOBSA-N -1 3 379.734 3.705 20 0 GHADHM CCOC(=O)/C=C/c1ccc(Cl)cc1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193937469 871380250 /nfs/dbraw/zinc/38/02/50/871380250.db2.gz IXOUUFQNTCGNCA-FNORWQNLSA-N -1 3 375.808 3.888 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793964955 882506149 /nfs/dbraw/zinc/50/61/49/882506149.db2.gz UTXUSUWPXYPUKS-KTKRTIGZSA-N -1 3 394.431 3.575 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793964955 882506157 /nfs/dbraw/zinc/50/61/57/882506157.db2.gz UTXUSUWPXYPUKS-KTKRTIGZSA-N -1 3 394.431 3.575 20 0 GHADHM COC(=O)c1nc2ccc(N[C@@H]3CCc4c3cccc4OC(F)(F)F)nc2[n-]1 ZINC001169363501 871430349 /nfs/dbraw/zinc/43/03/49/871430349.db2.gz MGFFLZKDFYHELJ-LLVKDONJSA-N -1 3 392.337 3.743 20 0 GHADHM COC(=O)c1nc2nc(N[C@@H]3CCc4c3cccc4OC(F)(F)F)ccc2[n-]1 ZINC001169363501 871430355 /nfs/dbraw/zinc/43/03/55/871430355.db2.gz MGFFLZKDFYHELJ-LLVKDONJSA-N -1 3 392.337 3.743 20 0 GHADHM COC(=O)c1nc2ccc(N[C@@H]3CCc4c3cccc4OC(F)(F)F)[n-]c-2n1 ZINC001169363501 871430359 /nfs/dbraw/zinc/43/03/59/871430359.db2.gz MGFFLZKDFYHELJ-LLVKDONJSA-N -1 3 392.337 3.743 20 0 GHADHM COc1ccc(NCc2ccc(Cl)c3cccnc23)cc1[N-]S(C)(=O)=O ZINC000158925537 871461897 /nfs/dbraw/zinc/46/18/97/871461897.db2.gz RPKREDHFUMAWCN-UHFFFAOYSA-N -1 3 391.880 3.880 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000447482484 871674649 /nfs/dbraw/zinc/67/46/49/871674649.db2.gz RFKLQCWIGVKDGE-UHFFFAOYSA-N -1 3 383.314 3.783 20 0 GHADHM CCOC(=O)c1nc(Cl)nc(Cl)c1[N-]C(=O)c1ccc(C(F)(F)F)o1 ZINC001194405705 871678394 /nfs/dbraw/zinc/67/83/94/871678394.db2.gz VOARAVFELGVXAI-UHFFFAOYSA-N -1 3 398.124 3.824 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001169621298 871683534 /nfs/dbraw/zinc/68/35/34/871683534.db2.gz ISHQJYQMEYSRPP-JYAVWHMHSA-N -1 3 390.285 3.784 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001169621298 871683545 /nfs/dbraw/zinc/68/35/45/871683545.db2.gz ISHQJYQMEYSRPP-JYAVWHMHSA-N -1 3 390.285 3.784 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCCC2)c1)c1cccc2c(Cl)nccc21 ZINC001194464356 871703318 /nfs/dbraw/zinc/70/33/18/871703318.db2.gz KBPMDVHBAKTJAU-UHFFFAOYSA-N -1 3 388.880 3.684 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1C)c1ccc2ccccc2c1 ZINC001194658590 871873202 /nfs/dbraw/zinc/87/32/02/871873202.db2.gz GQODTJRCRDQHIS-LJQANCHMSA-N -1 3 383.469 3.649 20 0 GHADHM O=C(Nc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1F)c1cccc(Cl)c1 ZINC000463503940 871890061 /nfs/dbraw/zinc/89/00/61/871890061.db2.gz ULEUGJPCADSEHF-UHFFFAOYSA-N -1 3 382.786 3.515 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000526033321 871936129 /nfs/dbraw/zinc/93/61/29/871936129.db2.gz VFGMNTWTLQQDKO-POAQFYNOSA-N -1 3 396.462 3.588 20 0 GHADHM CC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1[O-] ZINC000552069987 871974602 /nfs/dbraw/zinc/97/46/02/871974602.db2.gz WNDRKIXRAXWQAM-UHFFFAOYSA-N -1 3 389.407 3.843 20 0 GHADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)c1 ZINC000763510027 872076705 /nfs/dbraw/zinc/07/67/05/872076705.db2.gz LJUMGNGGARJGIR-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOC2(CCC2)C1 ZINC001195000962 872096871 /nfs/dbraw/zinc/09/68/71/872096871.db2.gz PHPIAMFGBLGMGE-OAHLLOKOSA-N -1 3 395.418 3.862 20 0 GHADHM CC(=O)Nc1ccc([O-])c(NC(=O)c2ccc(C(C)=O)cc2Br)c1 ZINC001195062891 872142136 /nfs/dbraw/zinc/14/21/36/872142136.db2.gz JKYJDNMTBDSMGA-UHFFFAOYSA-N -1 3 391.221 3.568 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cccc3n[n-]nc32)on1 ZINC000526120500 872181470 /nfs/dbraw/zinc/18/14/70/872181470.db2.gz XRNFNQBNWHHCDP-UHFFFAOYSA-N -1 3 399.410 3.705 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCOCC2)c1 ZINC001195158535 872222378 /nfs/dbraw/zinc/22/23/78/872222378.db2.gz AXHYCEAKCZWVNG-UHFFFAOYSA-N -1 3 378.469 3.587 20 0 GHADHM O=C([N-]c1sc2c(c1C(=O)c1ccccc1)CCC2)c1noc2c1COCC2 ZINC000857861841 882595155 /nfs/dbraw/zinc/59/51/55/882595155.db2.gz WTAXTDDDCXRRHH-UHFFFAOYSA-N -1 3 394.452 3.781 20 0 GHADHM Cc1cc(F)c(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c(F)c1 ZINC001195259904 872288677 /nfs/dbraw/zinc/28/86/77/872288677.db2.gz CJIDEXWCONZQMG-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM Cc1ccc([O-])c(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CCOCC2)n1 ZINC001195332496 872356248 /nfs/dbraw/zinc/35/62/48/872356248.db2.gz WGPJOHPPNPBASY-UHFFFAOYSA-N -1 3 394.393 3.593 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(F)c(C)c1 ZINC000767249295 872359536 /nfs/dbraw/zinc/35/95/36/872359536.db2.gz LWWUIHSKHDWDTI-FVNWOWOISA-N -1 3 397.855 3.592 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001195396774 872359842 /nfs/dbraw/zinc/35/98/42/872359842.db2.gz IUHBCTWQRLUVAC-IBGZPJMESA-N -1 3 389.517 3.806 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000552274275 872370992 /nfs/dbraw/zinc/37/09/92/872370992.db2.gz JRCVQEDIJOHQFF-HTQZYQBOSA-N -1 3 375.053 3.643 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000775652073 872380412 /nfs/dbraw/zinc/38/04/12/872380412.db2.gz DVOJGBVFJGNSEI-CJNGLKHVSA-N -1 3 379.457 3.852 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000775652073 872380433 /nfs/dbraw/zinc/38/04/33/872380433.db2.gz DVOJGBVFJGNSEI-CJNGLKHVSA-N -1 3 379.457 3.852 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3cccc4ccccc43)cc2)n1 ZINC000195489209 882611302 /nfs/dbraw/zinc/61/13/02/882611302.db2.gz RUUBCPQLVLMZFV-UHFFFAOYSA-N -1 3 385.423 3.916 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C2CC2)n1 ZINC000447875870 872454726 /nfs/dbraw/zinc/45/47/26/872454726.db2.gz VMGIDGYYSMLIEM-ZDUSSCGKSA-N -1 3 392.424 3.622 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC(C4CCCC4)C3)cs2)c1 ZINC000527018486 872484963 /nfs/dbraw/zinc/48/49/63/872484963.db2.gz XOTYCLWDZXMIGV-UHFFFAOYSA-N -1 3 399.516 3.601 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000527025843 872499707 /nfs/dbraw/zinc/49/97/07/872499707.db2.gz WNPRVSBYOLJDNE-YKSBVNFPSA-N -1 3 395.499 3.588 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)[n-]1 ZINC000619449306 872638212 /nfs/dbraw/zinc/63/82/12/872638212.db2.gz AMWQOVYOOBQFET-UHFFFAOYSA-N -1 3 382.247 3.954 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)c[n-]1 ZINC000619449306 872638216 /nfs/dbraw/zinc/63/82/16/872638216.db2.gz AMWQOVYOOBQFET-UHFFFAOYSA-N -1 3 382.247 3.954 20 0 GHADHM O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cccc2n[n-]nc21 ZINC000527112432 872691092 /nfs/dbraw/zinc/69/10/92/872691092.db2.gz XUCZQIXBKPYRRP-GOSISDBHSA-N -1 3 377.835 3.720 20 0 GHADHM COc1ccc(Cn2cc(NC(=O)CCCc3ccc([O-])c(F)c3)cn2)cc1 ZINC000552464653 872706568 /nfs/dbraw/zinc/70/65/68/872706568.db2.gz NMLZGXXXHYLRIS-UHFFFAOYSA-N -1 3 383.423 3.746 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000767658964 872741693 /nfs/dbraw/zinc/74/16/93/872741693.db2.gz RCOPEGLDSKARLV-LBPRGKRZSA-N -1 3 395.834 3.662 20 0 GHADHM C[C@H](CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C)C(C)(C)C ZINC001195947283 872788798 /nfs/dbraw/zinc/78/87/98/872788798.db2.gz RMQSCQJKULLTBE-HZSPNIEDSA-N -1 3 394.478 3.522 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000463892931 872805741 /nfs/dbraw/zinc/80/57/41/872805741.db2.gz DJFLTQKEISIOEO-VXGBXAGGSA-N -1 3 395.352 3.603 20 0 GHADHM O=C(NCc1cccc(COc2ccccc2)c1)NN=c1ccc(Cl)n[n-]1 ZINC000128164146 872908281 /nfs/dbraw/zinc/90/82/81/872908281.db2.gz IDZWYLQKHRABFA-UHFFFAOYSA-N -1 3 383.839 3.535 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC001196179783 872934107 /nfs/dbraw/zinc/93/41/07/872934107.db2.gz YDCPAFCALFDWRF-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(C)[C@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(Cl)cc1F ZINC000182909021 872944046 /nfs/dbraw/zinc/94/40/46/872944046.db2.gz ILKSVHKDBCDEPQ-INIZCTEOSA-N -1 3 379.819 3.526 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC001196254901 872973395 /nfs/dbraw/zinc/97/33/95/872973395.db2.gz LHHBLSFKENWXIP-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=C([N-][C@@H]1CN(CCOC2CCCCC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001196255533 872973667 /nfs/dbraw/zinc/97/36/67/872973667.db2.gz UYIYUBSLUFIMIF-RTBURBONSA-N -1 3 398.469 3.872 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2s1)c1cccc(Br)n1 ZINC001196323199 873031507 /nfs/dbraw/zinc/03/15/07/873031507.db2.gz BIGWGRHXESNIBH-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM COc1cccc(-c2cc(O)cc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2)c1 ZINC001196381721 873063779 /nfs/dbraw/zinc/06/37/79/873063779.db2.gz DGZBUOAGAYZRMS-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM COc1cccc(-c2cc(O)cc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2)c1 ZINC001196381721 873063795 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COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)cccc3Br)nc21 ZINC000464199919 873427275 /nfs/dbraw/zinc/42/72/75/873427275.db2.gz MWLOKUDDAQHCCZ-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM CCNc1cnc(-c2nc(=O)c3c(-c4ccc(OC)cc4)csc3[n-]2)cn1 ZINC000448511711 873499151 /nfs/dbraw/zinc/49/91/51/873499151.db2.gz VIJWXBVFCPJNJU-UHFFFAOYSA-N -1 3 379.445 3.961 20 0 GHADHM C[C@H](CO[N-]C(=O)CCc1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC000768717440 873515637 /nfs/dbraw/zinc/51/56/37/873515637.db2.gz YEHQUEZRELZCGS-GFCCVEGCSA-N -1 3 390.402 3.599 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ncn(-c4ccccc4)n3)nc(=O)c2c1C ZINC000768683346 873524037 /nfs/dbraw/zinc/52/40/37/873524037.db2.gz CUXLIYYZFRFQMW-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM CN(C)c1ccccc1CN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001197060375 873568634 /nfs/dbraw/zinc/56/86/34/873568634.db2.gz ULUFGUMJEZVGMJ-HNNXBMFYSA-N -1 3 391.437 3.925 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc([O-])cc1OC ZINC001197170234 873636582 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Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cn(Cc4cccs4)nn3)s2)c1 ZINC000173489685 876418373 /nfs/dbraw/zinc/41/83/73/876418373.db2.gz HXWZWZFEWLNSKQ-UHFFFAOYSA-N -1 3 396.501 3.776 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000450462400 876442590 /nfs/dbraw/zinc/44/25/90/876442590.db2.gz FYMIBRIFGRAQGQ-GFCCVEGCSA-N -1 3 383.250 3.776 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1 ZINC000173575977 876485000 /nfs/dbraw/zinc/48/50/00/876485000.db2.gz KTPZKWZMBBVRNE-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM O=C(NCC1CC=CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000529707849 876566392 /nfs/dbraw/zinc/56/63/92/876566392.db2.gz FEFQPWIXFROKPD-UHFFFAOYSA-N -1 3 381.657 3.640 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2cccc(C)c2)c2ccc(Cl)cc2)no1 ZINC000179989603 883043342 /nfs/dbraw/zinc/04/33/42/883043342.db2.gz IYJMGBMUKIQORE-QGZVFWFLSA-N -1 3 391.880 3.549 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)o1 ZINC000850013180 876597996 /nfs/dbraw/zinc/59/79/96/876597996.db2.gz YNGHHLCEKNDIJZ-SECBINFHSA-N -1 3 390.417 3.620 20 0 GHADHM Cc1noc(C23CC(C2)CN3C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000529745079 876611666 /nfs/dbraw/zinc/61/16/66/876611666.db2.gz JRMOELUVGPRHHU-UHFFFAOYSA-N -1 3 389.455 3.630 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)s1 ZINC000109098392 876669036 /nfs/dbraw/zinc/66/90/36/876669036.db2.gz KRPUAGGLAPIDNN-UHFFFAOYSA-N -1 3 387.914 3.580 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)ccc1F ZINC001129652669 883085218 /nfs/dbraw/zinc/08/52/18/883085218.db2.gz QXBRTUIPRQUKGH-ZBFHGGJFSA-N -1 3 398.544 3.847 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)ccc1Br ZINC000786880852 877034504 /nfs/dbraw/zinc/03/45/04/877034504.db2.gz QKCKFSKMTODWFT-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC000786888679 877040768 /nfs/dbraw/zinc/04/07/68/877040768.db2.gz YFTWMENWYOLGDU-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM C[C@@H]1C[C@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850576782 877046522 /nfs/dbraw/zinc/04/65/22/877046522.db2.gz RTQFTLHGWNXHFK-DYVFJYSZSA-N -1 3 384.480 3.545 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000787011991 877081513 /nfs/dbraw/zinc/08/15/13/877081513.db2.gz YWWHKTMBTNNCQD-QFIPXVFZSA-N -1 3 389.442 3.965 20 0 GHADHM CC(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)NC(=O)OC(C)(C)C ZINC000786987714 877092279 /nfs/dbraw/zinc/09/22/79/877092279.db2.gz IXTYYWSLXSOEOX-INIZCTEOSA-N -1 3 382.476 3.520 20 0 GHADHM COCCOc1cccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000152161383 877092831 /nfs/dbraw/zinc/09/28/31/877092831.db2.gz HGGAIQXLLCQPKT-UHFFFAOYSA-N -1 3 383.366 3.521 20 0 GHADHM COC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000787095653 877144417 /nfs/dbraw/zinc/14/44/17/877144417.db2.gz FMWAUVCZWZLGEQ-KRWDZBQOSA-N -1 3 393.842 3.928 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1C(C)C ZINC000530134235 877185284 /nfs/dbraw/zinc/18/52/84/877185284.db2.gz OZTIRTOYERZHJS-UHFFFAOYSA-N -1 3 393.505 3.958 20 0 GHADHM COc1ccc(CN(Cc2cnc(C(=O)[O-])cn2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000530163565 877236898 /nfs/dbraw/zinc/23/68/98/877236898.db2.gz PCLFFFIHNFZSGP-DNVCBOLYSA-N -1 3 399.491 3.773 20 0 GHADHM Cc1ccc(C(=O)NN=C2CCN(Cc3c(F)cccc3Cl)CC2)c([O-])c1 ZINC000064306711 883113172 /nfs/dbraw/zinc/11/31/72/883113172.db2.gz WZGPTCZAQMDDDY-UHFFFAOYSA-N -1 3 389.858 3.875 20 0 GHADHM CCc1ncnc(CC)c1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000551545935 877409769 /nfs/dbraw/zinc/40/97/69/877409769.db2.gz LPDWTNSMARNXBD-UHFFFAOYSA-N -1 3 390.274 3.973 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000136981898 877473290 /nfs/dbraw/zinc/47/32/90/877473290.db2.gz ZRGMBNXGMZBZPV-UHFFFAOYSA-N -1 3 389.381 3.726 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000136981898 877473305 /nfs/dbraw/zinc/47/33/05/877473305.db2.gz ZRGMBNXGMZBZPV-UHFFFAOYSA-N -1 3 389.381 3.726 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136984859 877473455 /nfs/dbraw/zinc/47/34/55/877473455.db2.gz LKGUIOCYFUURIU-UHFFFAOYSA-N -1 3 394.822 3.660 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136984859 877473469 /nfs/dbraw/zinc/47/34/69/877473469.db2.gz LKGUIOCYFUURIU-UHFFFAOYSA-N -1 3 394.822 3.660 20 0 GHADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(OC)c1OC ZINC000477400248 877565576 /nfs/dbraw/zinc/56/55/76/877565576.db2.gz CFILUJKVXNXLJC-ATVHPVEESA-N -1 3 378.428 3.579 20 0 GHADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000477409813 877580140 /nfs/dbraw/zinc/58/01/40/877580140.db2.gz AJKNOENEKLHISM-KRWDZBQOSA-N -1 3 375.852 3.728 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000530364291 877634100 /nfs/dbraw/zinc/63/41/00/877634100.db2.gz STPJHSLNRVZHOL-GXTWGEPZSA-N -1 3 392.249 3.914 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787847387 877665592 /nfs/dbraw/zinc/66/55/92/877665592.db2.gz DHVKYYHYXRCKMN-OAHLLOKOSA-N -1 3 381.444 3.654 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787927796 877717206 /nfs/dbraw/zinc/71/72/06/877717206.db2.gz JLGRWXOMBBRNJQ-UHFFFAOYSA-N -1 3 389.451 3.889 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000110046256 877783132 /nfs/dbraw/zinc/78/31/32/877783132.db2.gz RWOMLTKTCKNTOO-UHFFFAOYSA-N -1 3 399.410 3.819 20 0 GHADHM Cc1sc(Br)nc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000788305412 877983030 /nfs/dbraw/zinc/98/30/30/877983030.db2.gz QFFBJBBRCPKSNG-UHFFFAOYSA-N -1 3 392.072 3.934 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccc2[nH]ccc2c1 ZINC000788282585 877992800 /nfs/dbraw/zinc/99/28/00/877992800.db2.gz RCTNANIVYFUQJQ-UHFFFAOYSA-N -1 3 396.472 3.587 20 0 GHADHM O=S(=O)([N-]CCCOCC(F)(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000551963923 878093057 /nfs/dbraw/zinc/09/30/57/878093057.db2.gz KTUCXAOFDNSMRW-UHFFFAOYSA-N -1 3 399.740 3.606 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ncc(C(C)(C)C)o3)cc2)cc(=O)[n-]1 ZINC000530620235 878211853 /nfs/dbraw/zinc/21/18/53/878211853.db2.gz JKAXRAWELZORSC-UHFFFAOYSA-N -1 3 381.436 3.765 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1ccncc1 ZINC000068284521 878230648 /nfs/dbraw/zinc/23/06/48/878230648.db2.gz CPFHVTGCMLJZKS-JOCHJYFZSA-N -1 3 387.439 3.524 20 0 GHADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000530649338 878240466 /nfs/dbraw/zinc/24/04/66/878240466.db2.gz QRSMWJNRGXDNFT-ROUUACIJSA-N -1 3 384.480 3.825 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)ccc1Br ZINC000179952752 878258724 /nfs/dbraw/zinc/25/87/24/878258724.db2.gz KPAMZGWVGDVXNZ-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)c([O-])c1 ZINC000537769253 878270232 /nfs/dbraw/zinc/27/02/32/878270232.db2.gz VYKKUFBQTGZLNW-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)c([O-])c1 ZINC000537771300 878274983 /nfs/dbraw/zinc/27/49/83/878274983.db2.gz GKXIVACFWCBCNW-UHFFFAOYSA-N -1 3 397.349 3.691 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000530655922 878276004 /nfs/dbraw/zinc/27/60/04/878276004.db2.gz GESKAWJWSOVIGA-UHFFFAOYSA-N -1 3 389.386 3.542 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)s1 ZINC000176542041 878301086 /nfs/dbraw/zinc/30/10/86/878301086.db2.gz MDQDSXKQKGHKNS-JTQLQIEISA-N -1 3 392.481 3.993 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000176695128 878357199 /nfs/dbraw/zinc/35/71/99/878357199.db2.gz IRFQUOXBBMSZFN-JKSUJKDBSA-N -1 3 396.535 3.794 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C2CCC2)cc1Cl ZINC000451808166 878493287 /nfs/dbraw/zinc/49/32/87/878493287.db2.gz DSRQUDCUCVEYDC-UHFFFAOYSA-N -1 3 376.881 3.542 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccccc3N(C)C)cc2)cc(=O)[n-]1 ZINC000493134258 878506368 /nfs/dbraw/zinc/50/63/68/878506368.db2.gz RZGAFYSHMGGRGB-UHFFFAOYSA-N -1 3 377.448 3.545 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000177051683 878539416 /nfs/dbraw/zinc/53/94/16/878539416.db2.gz GCBRXSIRJYCART-VXGBXAGGSA-N -1 3 385.851 3.880 20 0 GHADHM C[C@H](C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cccnc1 ZINC000530826650 878598858 /nfs/dbraw/zinc/59/88/58/878598858.db2.gz LZXUXKKQNMYKDF-JTQLQIEISA-N -1 3 389.228 3.537 20 0 GHADHM CO[C@@H](C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451969642 878790858 /nfs/dbraw/zinc/79/08/58/878790858.db2.gz KTFKASUILGJLSN-WMLDXEAASA-N -1 3 390.530 3.534 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc2c(ccnc2Cl)o1 ZINC001183250283 912386719 /nfs/dbraw/zinc/38/67/19/912386719.db2.gz CFLSUKQNUKCUGM-UHFFFAOYSA-N -1 3 390.186 3.878 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000460917510 878822363 /nfs/dbraw/zinc/82/23/63/878822363.db2.gz KTIPOYVSQYPLTR-NSHDSACASA-N -1 3 384.498 3.673 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000538138045 878877335 /nfs/dbraw/zinc/87/73/35/878877335.db2.gz ZZGGUFOMVYHRPK-UHFFFAOYSA-N -1 3 393.468 3.973 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(C)cc2)c2ccccn2)s1 ZINC000460956976 878907568 /nfs/dbraw/zinc/90/75/68/878907568.db2.gz LIAUZQLTXGQVLK-KRWDZBQOSA-N -1 3 387.530 3.671 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(OC)c(OC3CCCC3)c2)s1 ZINC000460958172 878909817 /nfs/dbraw/zinc/90/98/17/878909817.db2.gz JPSYTJMMDJPHHF-UHFFFAOYSA-N -1 3 396.534 3.514 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000531010155 878942623 /nfs/dbraw/zinc/94/26/23/878942623.db2.gz YDJXKDHYKZSZBV-MRXNPFEDSA-N -1 3 378.881 3.667 20 0 GHADHM O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001183303811 912411990 /nfs/dbraw/zinc/41/19/90/912411990.db2.gz YGZMBESTMKHSNS-UHFFFAOYSA-N -1 3 398.394 3.533 20 0 GHADHM COC[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000538226379 879054826 /nfs/dbraw/zinc/05/48/26/879054826.db2.gz QNLNJYDTTBTKIZ-OAHLLOKOSA-N -1 3 385.370 3.837 20 0 GHADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000746829361 879084340 /nfs/dbraw/zinc/08/43/40/879084340.db2.gz SJCXZPDWVZEYGP-JTQLQIEISA-N -1 3 387.274 3.596 20 0 GHADHM O=C([N-]CCCN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)C(F)(F)F ZINC000789556922 879087636 /nfs/dbraw/zinc/08/76/36/879087636.db2.gz VXDFQFLEBJRYSM-INIZCTEOSA-N -1 3 398.404 3.811 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccccc1[S-] ZINC001272012618 879124336 /nfs/dbraw/zinc/12/43/36/879124336.db2.gz CQWBIVAJACKAHS-KURKYZTESA-N -1 3 376.566 3.717 20 0 GHADHM Cc1cc(Br)cc(Cl)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616824786 879131278 /nfs/dbraw/zinc/13/12/78/879131278.db2.gz NSSZVYUPMNEROU-LBPRGKRZSA-N -1 3 384.661 3.660 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cccc(OCC(F)(F)F)n2)c(F)c1F ZINC000461081632 879134591 /nfs/dbraw/zinc/13/45/91/879134591.db2.gz AUFWTNWKLNYFII-UHFFFAOYSA-N -1 3 392.255 3.895 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000789736236 879205495 /nfs/dbraw/zinc/20/54/95/879205495.db2.gz VWRGHCIQFOUXFK-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000616890490 879207045 /nfs/dbraw/zinc/20/70/45/879207045.db2.gz JDFUGDXZFLFCSP-LJQANCHMSA-N -1 3 377.481 3.936 20 0 GHADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2)c1C ZINC000461184771 879338710 /nfs/dbraw/zinc/33/87/10/879338710.db2.gz CKNCPPZQPPWMSK-UHFFFAOYSA-N -1 3 378.457 3.838 20 0 GHADHM CCC(CC)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000854004046 879432537 /nfs/dbraw/zinc/43/25/37/879432537.db2.gz CNVWPLPJZHPWJR-UHFFFAOYSA-N -1 3 387.381 3.520 20 0 GHADHM COc1ccc(Cn2cc([N-]S(=O)(=O)C3=Cc4ccccc4CC3)cn2)cc1 ZINC000790089109 879455272 /nfs/dbraw/zinc/45/52/72/879455272.db2.gz GXXKVUIKWUJTIH-UHFFFAOYSA-N -1 3 395.484 3.669 20 0 GHADHM COc1ccccc1CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000139268027 879489691 /nfs/dbraw/zinc/48/96/91/879489691.db2.gz UINHNUCHUCKVDK-UHFFFAOYSA-N -1 3 381.457 3.885 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000746887275 879511395 /nfs/dbraw/zinc/51/13/95/879511395.db2.gz VDHBZSMHGZACDT-HNNXBMFYSA-N -1 3 398.459 3.924 20 0 GHADHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001183351075 912465465 /nfs/dbraw/zinc/46/54/65/912465465.db2.gz ZDWSUMRKXACAHP-UHFFFAOYSA-N -1 3 380.354 3.757 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)cc(OC)c1[O-] ZINC000493540024 879527013 /nfs/dbraw/zinc/52/70/13/879527013.db2.gz QJTDENMGVDPFHM-ROUUACIJSA-N -1 3 385.460 3.838 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3conc3Cc3ccccc3)CC2)cc1Cl ZINC001183410172 912482103 /nfs/dbraw/zinc/48/21/03/912482103.db2.gz QLSSOYMXCWDJBK-UHFFFAOYSA-N -1 3 397.906 3.942 20 0 GHADHM CCOC(=O)[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1 ZINC001183367440 912484152 /nfs/dbraw/zinc/48/41/52/912484152.db2.gz FNOJFIYAIJLMTC-KRWDZBQOSA-N -1 3 390.399 3.503 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581699 879922911 /nfs/dbraw/zinc/92/29/11/879922911.db2.gz UUAOMSFFWMDXJD-QGZVFWFLSA-N -1 3 396.447 3.781 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@H]4C)o3)nc21 ZINC000494110391 879938352 /nfs/dbraw/zinc/93/83/52/879938352.db2.gz GISKBKMBKSUIBL-VZZFWQQMSA-N -1 3 379.416 3.808 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000112521437 880009206 /nfs/dbraw/zinc/00/92/06/880009206.db2.gz YEJNVJLHROMCQL-NSHDSACASA-N -1 3 384.885 3.902 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000855021199 880219439 /nfs/dbraw/zinc/21/94/39/880219439.db2.gz LEPOPDWFNRBODC-UHFFFAOYSA-N -1 3 380.510 3.539 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000184232635 880255000 /nfs/dbraw/zinc/25/50/00/880255000.db2.gz UBFSKDBVUIPDEB-ZDUSSCGKSA-N -1 3 385.894 3.544 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)c1c(Cl)cccc1Cl ZINC000855126214 880288259 /nfs/dbraw/zinc/28/82/59/880288259.db2.gz CNAXJESNYWYZHN-UHFFFAOYSA-N -1 3 382.247 3.534 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000185938722 880737282 /nfs/dbraw/zinc/73/72/82/880737282.db2.gz ULDWLPWJYFSIIG-XHDPSFHLSA-N -1 3 378.416 3.698 20 0 GHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1cc(Cl)ccc1Cl ZINC000186179957 880812536 /nfs/dbraw/zinc/81/25/36/880812536.db2.gz JNCRVFKGDHEWGH-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000186264048 880834489 /nfs/dbraw/zinc/83/44/89/880834489.db2.gz HWIOYBXOOPSZMO-GOEBONIOSA-N -1 3 385.302 3.548 20 0 GHADHM CN(C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1)C(=O)OC(C)(C)C ZINC000792148360 880940598 /nfs/dbraw/zinc/94/05/98/880940598.db2.gz TZTUESCITTZLCO-HNNXBMFYSA-N -1 3 384.476 3.874 20 0 GHADHM O=C([N-]CC1(O)CCC(F)(F)CC1)C(F)(F)c1ccccc1Br ZINC000856202549 881036587 /nfs/dbraw/zinc/03/65/87/881036587.db2.gz PCXZROIYAMLKRL-UHFFFAOYSA-N -1 3 398.194 3.598 20 0 GHADHM CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275208950 912649148 /nfs/dbraw/zinc/64/91/48/912649148.db2.gz IZQRPCDYIVEEEF-IFXJQAMLSA-N -1 3 395.341 3.910 20 0 GHADHM CCc1cc(=O)[n-]c(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1 ZINC000119923120 881173439 /nfs/dbraw/zinc/17/34/39/881173439.db2.gz JJMPDYAFBLWCTD-UHFFFAOYSA-N -1 3 396.413 3.613 20 0 GHADHM CC[C@@H](C)N1CCC2(CCN(Cc3cccc([O-])c3Br)CC2)C1=O ZINC001275210193 912653571 /nfs/dbraw/zinc/65/35/71/912653571.db2.gz PVQBVZPPCMWZSS-CQSZACIVSA-N -1 3 395.341 3.768 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc(Cl)c1[O-] ZINC000192578070 881230319 /nfs/dbraw/zinc/23/03/19/881230319.db2.gz MRJCBFGRCZVBPQ-OAHLLOKOSA-N -1 3 378.856 3.604 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000551097567 883282804 /nfs/dbraw/zinc/28/28/04/883282804.db2.gz MXEFYBRYGQBKIG-UHFFFAOYSA-N -1 3 397.378 3.880 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@@H](O)c1ccccc1C1CCCCC1 ZINC001183654545 912697399 /nfs/dbraw/zinc/69/73/99/912697399.db2.gz GRUGXRLOWAHTQN-IBGZPJMESA-N -1 3 393.443 3.761 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3sccc3-n3cccc3)cc2)n1 ZINC000195489016 883390439 /nfs/dbraw/zinc/39/04/39/883390439.db2.gz ACJDMACFGSZWMA-UHFFFAOYSA-N -1 3 376.441 3.850 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nn(C(C)(C)C)cc2Br)s1 ZINC000666968748 883424068 /nfs/dbraw/zinc/42/40/68/883424068.db2.gz YFYLZLFNQGNTFC-UHFFFAOYSA-N -1 3 386.319 3.847 20 0 GHADHM COc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1Br ZINC000747223991 883443723 /nfs/dbraw/zinc/44/37/23/883443723.db2.gz NBXPJPLVXNDRKP-UHFFFAOYSA-N -1 3 380.242 3.637 20 0 GHADHM Cc1ccc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000175273724 883551334 /nfs/dbraw/zinc/55/13/34/883551334.db2.gz BWBWLTUXZXENEL-UHFFFAOYSA-N -1 3 388.508 3.952 20 0 GHADHM Cc1ccccc1[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130086987 883609107 /nfs/dbraw/zinc/60/91/07/883609107.db2.gz KNJZIAKJRWDLKG-ZBFHGGJFSA-N -1 3 390.405 3.735 20 0 GHADHM Cc1ccccc1[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130086984 883609374 /nfs/dbraw/zinc/60/93/74/883609374.db2.gz KNJZIAKJRWDLKG-GDBMZVCRSA-N -1 3 390.405 3.735 20 0 GHADHM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000564342595 883619637 /nfs/dbraw/zinc/61/96/37/883619637.db2.gz ASWCNCLOCRBRCI-UHFFFAOYSA-N -1 3 395.286 3.566 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000175334690 883626167 /nfs/dbraw/zinc/62/61/67/883626167.db2.gz XRDBQFPUEUEPDR-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000186538509 883662844 /nfs/dbraw/zinc/66/28/44/883662844.db2.gz ZRFMJIOCEHCBAU-LRDDRELGSA-N -1 3 390.281 3.842 20 0 GHADHM Cc1cc(=O)oc2cc(N(C)C(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc12 ZINC000805354993 883775253 /nfs/dbraw/zinc/77/52/53/883775253.db2.gz YBVKYSSOMMNMJH-UHFFFAOYSA-N -1 3 392.386 3.667 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(Cl)cc21)c1cccnc1C(F)(F)F ZINC000859403670 883798233 /nfs/dbraw/zinc/79/82/33/883798233.db2.gz GOZXTSUHULLDGB-LBPRGKRZSA-N -1 3 376.787 3.720 20 0 GHADHM O=c1nc(CN2CCOC[C@@H]2CC(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000286476908 912765619 /nfs/dbraw/zinc/76/56/19/912765619.db2.gz OCPZOZRFHGYNPL-JTQLQIEISA-N -1 3 381.404 3.513 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(OC4CCCC4)c3)c2c1=O ZINC001183779591 912769242 /nfs/dbraw/zinc/76/92/42/912769242.db2.gz AHFJDBPPONTQBU-UHFFFAOYSA-N -1 3 380.448 3.627 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)n[n-]c21 ZINC000859694107 883994726 /nfs/dbraw/zinc/99/47/26/883994726.db2.gz DLCCPCNBKVNVPS-WDEREUQCSA-N -1 3 384.354 3.666 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)[n-]nc21 ZINC000859694107 883994741 /nfs/dbraw/zinc/99/47/41/883994741.db2.gz DLCCPCNBKVNVPS-WDEREUQCSA-N -1 3 384.354 3.666 20 0 GHADHM Cc1c2ccc(F)cc2sc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000805706380 884017084 /nfs/dbraw/zinc/01/70/84/884017084.db2.gz GYKJPGQVSVYXQW-UHFFFAOYSA-N -1 3 377.418 3.524 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)o1 ZINC000859783286 884058129 /nfs/dbraw/zinc/05/81/29/884058129.db2.gz PPJBYWGTRIUNSO-UHFFFAOYSA-N -1 3 396.487 3.869 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c([O-])c1 ZINC000190324923 884067952 /nfs/dbraw/zinc/06/79/52/884067952.db2.gz XTADTQRHFARONS-MRXNPFEDSA-N -1 3 386.496 3.763 20 0 GHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1Br ZINC000859816714 884085722 /nfs/dbraw/zinc/08/57/22/884085722.db2.gz IYMUFKWEQGNDNH-QGZVFWFLSA-N -1 3 376.250 3.608 20 0 GHADHM Cc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc(C)c1Br ZINC000494867663 884093491 /nfs/dbraw/zinc/09/34/91/884093491.db2.gz FSODJEPMSWVPRQ-UHFFFAOYSA-N -1 3 392.179 3.525 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)[n-]1 ZINC000556202526 884104545 /nfs/dbraw/zinc/10/45/45/884104545.db2.gz TWNIQRHQYFXHEH-MUUNZHRXSA-N -1 3 396.468 3.503 20 0 GHADHM O=C(OCc1c(Cl)ccc(F)c1Cl)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000806011062 884269263 /nfs/dbraw/zinc/26/92/63/884269263.db2.gz BPYPVTIFYYRVLG-WKEGUHRASA-N -1 3 388.144 3.633 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1cn(-c2ccccc2)nc1C)C(=O)[O-] ZINC000556328637 884488691 /nfs/dbraw/zinc/48/86/91/884488691.db2.gz HGSPCFXNLNFPQR-QHCPKHFHSA-N -1 3 391.471 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccncc2)C1)c1c(Cl)cccc1Cl ZINC000556323202 884500441 /nfs/dbraw/zinc/50/04/41/884500441.db2.gz PEFSIDYSXSMCEC-DOMZBBRYSA-N -1 3 387.288 3.587 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cc(F)c(Br)cc1F ZINC000229172672 884527779 /nfs/dbraw/zinc/52/77/79/884527779.db2.gz LZJPRWXNQIJNRT-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn4cc(C)ccc4n3)nc(=O)c2c1C ZINC000860300518 884543534 /nfs/dbraw/zinc/54/35/34/884543534.db2.gz XLZUYTUMHBODCL-LLVKDONJSA-N -1 3 382.445 3.888 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)cc1 ZINC000556352248 884586485 /nfs/dbraw/zinc/58/64/85/884586485.db2.gz QACZVOWHTGSWEX-UHFFFAOYSA-N -1 3 390.480 3.600 20 0 GHADHM CC(C)CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCCC1 ZINC000914725081 884616206 /nfs/dbraw/zinc/61/62/06/884616206.db2.gz HCBMBOAYHLTWLH-UHFFFAOYSA-N -1 3 398.544 3.943 20 0 GHADHM O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898204949 884630879 /nfs/dbraw/zinc/63/08/79/884630879.db2.gz FYHYBDSLQOMIGN-MRVPVSSYSA-N -1 3 393.287 3.783 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211351 884633055 /nfs/dbraw/zinc/63/30/55/884633055.db2.gz NZKNVIBYWLXWRV-CQSZACIVSA-N -1 3 392.297 3.607 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1 ZINC000130515951 884719586 /nfs/dbraw/zinc/71/95/86/884719586.db2.gz YAZQQVGGLPZRKN-UHFFFAOYSA-N -1 3 396.398 3.588 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F)c1ccccn1 ZINC000795822469 912856846 /nfs/dbraw/zinc/85/68/46/912856846.db2.gz GOBJYJDNBUJVPZ-KRWDZBQOSA-N -1 3 394.468 3.526 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1 ZINC000475830002 884754201 /nfs/dbraw/zinc/75/42/01/884754201.db2.gz MNYARBVQJKWWEH-UHFFFAOYSA-N -1 3 398.484 3.883 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cccc(Br)c1Cl ZINC000556395435 884767708 /nfs/dbraw/zinc/76/77/08/884767708.db2.gz NKNGRHCPRJYQOE-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[O-] ZINC000666346953 884803641 /nfs/dbraw/zinc/80/36/41/884803641.db2.gz JTBORHUUDGOOFW-GASCZTMLSA-N -1 3 394.471 3.965 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000666346603 884805631 /nfs/dbraw/zinc/80/56/31/884805631.db2.gz DJUFCLRVNRELBV-ZIAGYGMSSA-N -1 3 392.459 3.639 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000475836386 884845352 /nfs/dbraw/zinc/84/53/52/884845352.db2.gz SWUPGVPNZJUVCX-UHFFFAOYSA-N -1 3 381.837 3.505 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914888936 885111205 /nfs/dbraw/zinc/11/12/05/885111205.db2.gz BZJGMMDOOQKXFE-UHFFFAOYSA-N -1 3 383.473 3.934 20 0 GHADHM COc1cc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)c(OC)cc1Cl ZINC000914892135 885119562 /nfs/dbraw/zinc/11/95/62/885119562.db2.gz ZGVUJLOOFLAJMN-UHFFFAOYSA-N -1 3 394.836 3.696 20 0 GHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000914891747 885119661 /nfs/dbraw/zinc/11/96/61/885119661.db2.gz SAGZDYYKIAMHTC-LBPRGKRZSA-N -1 3 397.456 3.540 20 0 GHADHM O=C(CCC(=O)N1CCSc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000106910387 885201723 /nfs/dbraw/zinc/20/17/23/885201723.db2.gz POUVQDZGCFHSNK-UHFFFAOYSA-N -1 3 376.865 3.903 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1C(F)(F)F ZINC000795849084 912908374 /nfs/dbraw/zinc/90/83/74/912908374.db2.gz ROFAPSWXEDRGPL-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795850778 912911124 /nfs/dbraw/zinc/91/11/24/912911124.db2.gz MKHPPAGFWQNWSG-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCC[C@@H]3Cc3ccccc3)nc21 ZINC001127331581 885214927 /nfs/dbraw/zinc/21/49/27/885214927.db2.gz QZCUUPHPXDQJOR-CVEARBPZSA-N -1 3 377.444 3.947 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000747376746 885304530 /nfs/dbraw/zinc/30/45/30/885304530.db2.gz YZRUVLAXBQMEDJ-JSGCOSHPSA-N -1 3 379.382 3.919 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4CC[C@H]3C)n[n-]2)o1 ZINC000919326775 885339302 /nfs/dbraw/zinc/33/93/02/885339302.db2.gz DHYRECIHNRHHEP-UKRRQHHQSA-N -1 3 393.443 3.891 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4CC[C@H]3C)[n-]n2)o1 ZINC000919326775 885339317 /nfs/dbraw/zinc/33/93/17/885339317.db2.gz DHYRECIHNRHHEP-UKRRQHHQSA-N -1 3 393.443 3.891 20 0 GHADHM Cc1cc(Br)ccc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747389638 885353060 /nfs/dbraw/zinc/35/30/60/885353060.db2.gz LCMKVFLMOSPYGW-UHFFFAOYSA-N -1 3 378.270 3.615 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1ccc(Cl)s1 ZINC000302946436 885393294 /nfs/dbraw/zinc/39/32/94/885393294.db2.gz CITVQJAHEAFNLX-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000130996633 885407580 /nfs/dbraw/zinc/40/75/80/885407580.db2.gz REWVASRFMJMEIB-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000747404334 885544421 /nfs/dbraw/zinc/54/44/21/885544421.db2.gz BPUTZZKAOCVJMZ-CQSZACIVSA-N -1 3 388.899 3.666 20 0 GHADHM CC(C)c1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cnn1-c1ccc(F)cc1 ZINC000498747468 885613563 /nfs/dbraw/zinc/61/35/63/885613563.db2.gz KHVFGMOPWSMWFK-UHFFFAOYSA-N -1 3 380.383 3.765 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1[O-] ZINC000805299238 885920624 /nfs/dbraw/zinc/92/06/24/885920624.db2.gz VMVODNWIPJEYND-INIZCTEOSA-N -1 3 376.497 3.864 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000055138914 886009386 /nfs/dbraw/zinc/00/93/86/886009386.db2.gz SFBMLDRTXPJNKG-OAHLLOKOSA-N -1 3 376.865 3.971 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(F)nc3)cc2)cc1 ZINC000118761952 886187996 /nfs/dbraw/zinc/18/79/96/886187996.db2.gz FCMRMTUTRAIFFZ-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000919747794 886276149 /nfs/dbraw/zinc/27/61/49/886276149.db2.gz SHPRLMUMPUYRFQ-OAHLLOKOSA-N -1 3 394.244 3.736 20 0 GHADHM O=c1[n-]c(CN2CCC(c3c[nH]c4ncccc34)CC2)nc2c3ccccc3oc21 ZINC000118837234 886279612 /nfs/dbraw/zinc/27/96/12/886279612.db2.gz OJSHSFGIHVGBNE-UHFFFAOYSA-N -1 3 399.454 3.925 20 0 GHADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1c[n-]c2ccccc2c1=O ZINC000031545142 886296210 /nfs/dbraw/zinc/29/62/10/886296210.db2.gz SDKLMKQODRBHMK-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM Cn1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc(Cl)c1=O ZINC000118954294 886362058 /nfs/dbraw/zinc/36/20/58/886362058.db2.gz ZUFGIBFCJFBPNJ-UHFFFAOYSA-N -1 3 389.285 3.708 20 0 GHADHM CN(C)C(=O)C[C@H]1CN(Cc2c(F)ccc([O-])c2F)c2ccc(Cl)cc21 ZINC000556867243 886384694 /nfs/dbraw/zinc/38/46/94/886384694.db2.gz BQYODCYGZONWTJ-NSHDSACASA-N -1 3 380.822 3.906 20 0 GHADHM O=S(=O)([N-]CCOc1cccc(F)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000915353385 886393818 /nfs/dbraw/zinc/39/38/18/886393818.db2.gz YHISFJAJQMBBHI-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(C)o3)nc(=O)c2c1C ZINC000057552007 886715250 /nfs/dbraw/zinc/71/52/50/886715250.db2.gz AIJOXFDBYLVBQI-GFCCVEGCSA-N -1 3 389.477 3.564 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3CCC3(C)C)c2)c1 ZINC000805321823 886722068 /nfs/dbraw/zinc/72/20/68/886722068.db2.gz MLAVMKMLEOVCJT-LJQANCHMSA-N -1 3 398.459 3.580 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640291345 886734183 /nfs/dbraw/zinc/73/41/83/886734183.db2.gz ANSXCPGRAUFCRX-SNVBAGLBSA-N -1 3 390.793 3.802 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000126210044 886945259 /nfs/dbraw/zinc/94/52/59/886945259.db2.gz UVQXYRZHTKACBQ-INIZCTEOSA-N -1 3 390.281 3.905 20 0 GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000644193781 913097439 /nfs/dbraw/zinc/09/74/39/913097439.db2.gz WNWWNUDLEZBMFI-UHFFFAOYSA-N -1 3 399.406 3.739 20 0 GHADHM COc1ccc([C@H]2CCN(CCOc3ccc(/C=C/C(=O)[O-])cc3)C2)cc1F ZINC000863476475 887140623 /nfs/dbraw/zinc/14/06/23/887140623.db2.gz FVYVFNZNJWSKSR-URPWPPKMSA-N -1 3 385.435 3.800 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc2c(cc1Cl)OCCO2 ZINC000171090971 887382271 /nfs/dbraw/zinc/38/22/71/887382271.db2.gz BURHTUDYFILNIC-UHFFFAOYSA-N -1 3 378.208 3.705 20 0 GHADHM CC(C)(C)n1ncc(C(=O)[N-]c2nc(-c3ccccc3)no2)c1Br ZINC000863863809 887423619 /nfs/dbraw/zinc/42/36/19/887423619.db2.gz QKBPUZYAJJKZJT-UHFFFAOYSA-N -1 3 390.241 3.703 20 0 GHADHM O=c1cc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)nc(C2CC2)[n-]1 ZINC000459343913 887523580 /nfs/dbraw/zinc/52/35/80/887523580.db2.gz UBFSVVHBBRUUPW-KRWDZBQOSA-N -1 3 377.448 3.837 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Sc3ccccn3)c2)n1 ZINC000132035336 887601181 /nfs/dbraw/zinc/60/11/81/887601181.db2.gz DNWNIQPGYYUMOY-ZDUSSCGKSA-N -1 3 380.473 3.514 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NCc2cccc([O-])c2Br)cc1C ZINC000459352928 887608092 /nfs/dbraw/zinc/60/80/92/887608092.db2.gz SSTUHJNCEKIEKL-UHFFFAOYSA-N -1 3 399.310 3.837 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(N3CCOC3=O)c2)c(C)c1 ZINC000794604497 887668583 /nfs/dbraw/zinc/66/85/83/887668583.db2.gz RIBUMXCUXSNXHS-UHFFFAOYSA-N -1 3 378.425 3.508 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1F ZINC000794608533 887675562 /nfs/dbraw/zinc/67/55/62/887675562.db2.gz JXVZLJVBIBKTCA-SREVYHEPSA-N -1 3 387.791 3.817 20 0 GHADHM Cc1ccc(C(=O)N(C)C2CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055223418 888118315 /nfs/dbraw/zinc/11/83/15/888118315.db2.gz APVRPDCAJCUOAS-UHFFFAOYSA-N -1 3 396.871 3.823 20 0 GHADHM Cc1ccccc1-c1cnc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000810065996 888151338 /nfs/dbraw/zinc/15/13/38/888151338.db2.gz GHGFPGVLYABHIN-CQSZACIVSA-N -1 3 381.398 3.541 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810142292 888211580 /nfs/dbraw/zinc/21/15/80/888211580.db2.gz GPGLHDQQPQNFOJ-CYBMUJFWSA-N -1 3 385.430 3.907 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1NC(C)=O ZINC000055616046 888234519 /nfs/dbraw/zinc/23/45/19/888234519.db2.gz SBTKICOJNPWHLA-UHFFFAOYSA-N -1 3 392.477 3.550 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000135591353 888249585 /nfs/dbraw/zinc/24/95/85/888249585.db2.gz JYJHEZIZWXRWKG-UHFFFAOYSA-N -1 3 377.469 3.670 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccccc2Br)n1 ZINC000763208012 888289164 /nfs/dbraw/zinc/28/91/64/888289164.db2.gz GIFRBXIOHFATAS-SNVBAGLBSA-N -1 3 382.283 3.514 20 0 GHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C)C(C)C ZINC000194414060 888305098 /nfs/dbraw/zinc/30/50/98/888305098.db2.gz AAEAZIWIOFHDEA-UHFFFAOYSA-N -1 3 390.505 3.675 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)C(=O)c1c[nH]c2ccc(Br)cc21 ZINC001184486310 913253199 /nfs/dbraw/zinc/25/31/99/913253199.db2.gz MEHADDDBYYTKMB-UHFFFAOYSA-N -1 3 377.169 3.597 20 0 GHADHM Cc1csc2nc(COC(=O)c3cc4cc(Cl)sc4[n-]3)cc(=O)n12 ZINC000810544451 888639235 /nfs/dbraw/zinc/63/92/35/888639235.db2.gz ULQDHBVNZIXUIU-UHFFFAOYSA-N -1 3 379.850 3.618 20 0 GHADHM C[C@H](CC1CCCCC1)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132326985 888643987 /nfs/dbraw/zinc/64/39/87/888643987.db2.gz VODIKMJBOOAVOA-GFCCVEGCSA-N -1 3 387.571 3.765 20 0 GHADHM Cc1ccc([C@H](Cc2ccccc2)NCc2nc3c(c(=O)[n-]2)COCC3)cc1C ZINC000866629658 888982891 /nfs/dbraw/zinc/98/28/91/888982891.db2.gz PWPFXAWMCPFHKK-QFIPXVFZSA-N -1 3 389.499 3.945 20 0 GHADHM CC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCC(C)CC1 ZINC000810897848 889004695 /nfs/dbraw/zinc/00/46/95/889004695.db2.gz BUQGZPWYPFNSLV-GYTBAZASSA-N -1 3 376.463 3.756 20 0 GHADHM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810903221 889011713 /nfs/dbraw/zinc/01/17/13/889011713.db2.gz WDBGRRUSYRNACB-BCNIOPEESA-N -1 3 388.817 3.660 20 0 GHADHM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810904749 889011782 /nfs/dbraw/zinc/01/17/82/889011782.db2.gz HWDAEPURVABTSV-CLOOOTJHSA-N -1 3 396.453 3.914 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)N1CCCc2c(=O)[n-]cnc21 ZINC001132574062 889123523 /nfs/dbraw/zinc/12/35/23/889123523.db2.gz ZTRYRZSLMJZCNF-UHFFFAOYSA-N -1 3 375.428 3.598 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000811229707 889309629 /nfs/dbraw/zinc/30/96/29/889309629.db2.gz FASHHEJKSAPHRK-UHFFFAOYSA-N -1 3 399.712 3.866 20 0 GHADHM CCCCN1C(=O)C[C@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321552 913334197 /nfs/dbraw/zinc/33/41/97/913334197.db2.gz CSIGXPFPBDNIBH-IBGZPJMESA-N -1 3 399.318 3.840 20 0 GHADHM O=C(OCc1noc(-c2ccccc2O)n1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393643 889534611 /nfs/dbraw/zinc/53/46/11/889534611.db2.gz OMHSBMXPJVLYPH-UHFFFAOYSA-N -1 3 375.793 3.995 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)N[C@H]1CCOc2ccccc21 ZINC000811395134 889536360 /nfs/dbraw/zinc/53/63/60/889536360.db2.gz WKCYVQWVPMYCLX-LBPRGKRZSA-N -1 3 390.848 3.680 20 0 GHADHM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394385 889536449 /nfs/dbraw/zinc/53/64/49/889536449.db2.gz CDPRCVQQRJWFEF-UHFFFAOYSA-N -1 3 394.884 3.709 20 0 GHADHM O=C(NC1(C(F)F)CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000644560415 913367882 /nfs/dbraw/zinc/36/78/82/913367882.db2.gz XUGUOQJQYQHGDB-UHFFFAOYSA-N -1 3 385.208 3.598 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2Br)c([O-])c1 ZINC000124833865 889783011 /nfs/dbraw/zinc/78/30/11/889783011.db2.gz VVKYTRXFSBNUEH-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(OCc3cccc(F)c3)cc2)s1 ZINC000533176491 889908539 /nfs/dbraw/zinc/90/85/39/889908539.db2.gz IUVGAKMGNJWBKE-UHFFFAOYSA-N -1 3 392.477 3.648 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000125222785 889915375 /nfs/dbraw/zinc/91/53/75/889915375.db2.gz ORUFFZBPYXJHLA-CYBMUJFWSA-N -1 3 380.318 3.516 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c[nH]c4c3cccc4C)c2)n1 ZINC000125242847 889921096 /nfs/dbraw/zinc/92/10/96/889921096.db2.gz BZSRMYMQGUMZSM-UHFFFAOYSA-N -1 3 386.455 3.970 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1F ZINC000811726473 889925507 /nfs/dbraw/zinc/92/55/07/889925507.db2.gz VVXFQDFYNMUFHR-UHFFFAOYSA-N -1 3 383.416 3.850 20 0 GHADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125296070 889943208 /nfs/dbraw/zinc/94/32/08/889943208.db2.gz OUNKZBLCBUNZRE-GFCCVEGCSA-N -1 3 378.350 3.941 20 0 GHADHM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125342718 889959182 /nfs/dbraw/zinc/95/91/82/889959182.db2.gz LATFDFYDLFAJJB-GOSISDBHSA-N -1 3 394.393 3.733 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000064477210 889963809 /nfs/dbraw/zinc/96/38/09/889963809.db2.gz OBSGEVPOBJXPHR-QGZVFWFLSA-N -1 3 389.502 3.937 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1C ZINC000916729734 890140628 /nfs/dbraw/zinc/14/06/28/890140628.db2.gz FUUBRWXJLHNCBS-IYBDPMFKSA-N -1 3 392.496 3.857 20 0 GHADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000533263372 890163746 /nfs/dbraw/zinc/16/37/46/890163746.db2.gz YWEOAHOHIIPKHL-UGKGYDQZSA-N -1 3 376.456 3.957 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCCCF)c(Cl)cc1Cl ZINC000154220316 890402656 /nfs/dbraw/zinc/40/26/56/890402656.db2.gz OFNCDJZNRXOINQ-SNVBAGLBSA-N -1 3 399.315 3.550 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812278462 890497880 /nfs/dbraw/zinc/49/78/80/890497880.db2.gz GHWOEJGPDCEYDG-JKSUJKDBSA-N -1 3 376.463 3.900 20 0 GHADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc(Br)ccc1[O-] ZINC000126508348 890570234 /nfs/dbraw/zinc/57/02/34/890570234.db2.gz ZGIDESNIUAGLBL-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Br)o1)[N-]OC/C=C/Cl ZINC000812401792 890585234 /nfs/dbraw/zinc/58/52/34/890585234.db2.gz DKRRQZHVIUWASD-FPYGCLRLSA-N -1 3 385.645 3.837 20 0 GHADHM Cc1oc(C(=O)[N-]c2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1CO ZINC001170676691 890608807 /nfs/dbraw/zinc/60/88/07/890608807.db2.gz CWXLWVDQZJHNOW-UHFFFAOYSA-N -1 3 383.351 3.870 20 0 GHADHM Cc1noc(C)c1COc1ccc(CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871209724 890695533 /nfs/dbraw/zinc/69/55/33/890695533.db2.gz CFMFONBVAVBWAS-UHFFFAOYSA-N -1 3 386.370 3.803 20 0 GHADHM C[C@]1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C[C@H]2C[C@H]2C1 ZINC000871315604 890750555 /nfs/dbraw/zinc/75/05/55/890750555.db2.gz KKWHMDKYASOMHI-PXWIGAEESA-N -1 3 380.410 3.622 20 0 GHADHM O=S(=O)([N-]CCCCCCCCCCCCO)c1cccnc1Cl ZINC001184897438 913490880 /nfs/dbraw/zinc/49/08/80/913490880.db2.gz FTTNZQFNXJBYKA-UHFFFAOYSA-N -1 3 376.950 3.907 20 0 GHADHM CC1(C)CCc2onc(C[S@@](=O)Cc3cc(=O)[n-]c(-c4ccccc4)n3)c2C1 ZINC000871610698 890937447 /nfs/dbraw/zinc/93/74/47/890937447.db2.gz FRIIUUIVASYWMJ-NDEPHWFRSA-N -1 3 397.500 3.801 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000127323611 891004262 /nfs/dbraw/zinc/00/42/62/891004262.db2.gz RKWZWAFJDPHGHV-UHFFFAOYSA-N -1 3 388.533 3.751 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3C[C@@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000871880236 891070563 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GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1c(Cl)nccc1C(F)(F)F ZINC000813258613 891418842 /nfs/dbraw/zinc/41/88/42/891418842.db2.gz PBNAOGVOISHCFF-UHFFFAOYSA-N -1 3 376.125 3.702 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN(Cc2cc3ccc(SC)cc3nc2Cl)C1 ZINC000873644109 891721517 /nfs/dbraw/zinc/72/15/17/891721517.db2.gz VBKMEEVIJDPYNX-GOSISDBHSA-N -1 3 380.897 3.533 20 0 GHADHM CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000813726095 891901194 /nfs/dbraw/zinc/90/11/94/891901194.db2.gz XCLPZITUUZCCLO-HNNXBMFYSA-N -1 3 384.432 3.535 20 0 GHADHM Cc1sc2ncnc(SCC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c2c1C ZINC000497567694 891904734 /nfs/dbraw/zinc/90/47/34/891904734.db2.gz LJRYATLERIXEGX-UHFFFAOYSA-N -1 3 395.513 3.851 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001133906837 891922603 /nfs/dbraw/zinc/92/26/03/891922603.db2.gz CZYZFJXJBCPNFS-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001133906837 891922609 /nfs/dbraw/zinc/92/26/09/891922609.db2.gz CZYZFJXJBCPNFS-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM CCOC(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Cl)c1 ZINC001133907067 891924768 /nfs/dbraw/zinc/92/47/68/891924768.db2.gz LJBJQUNTYXGHNF-UHFFFAOYSA-N -1 3 375.772 3.539 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(F)cc1I ZINC000128443486 891932155 /nfs/dbraw/zinc/93/21/55/891932155.db2.gz LUGFLWPXRFCMQN-UHFFFAOYSA-N -1 3 393.102 3.666 20 0 GHADHM CCc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1 ZINC001212097662 891968765 /nfs/dbraw/zinc/96/87/65/891968765.db2.gz CZENWQCLCBNMMX-SFHVURJKSA-N -1 3 391.427 3.744 20 0 GHADHM CC(C)(C)OC(=O)/C=C\c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)co1 ZINC000874133666 892008638 /nfs/dbraw/zinc/00/86/38/892008638.db2.gz NIZFPMLLBBMEET-PLNGDYQASA-N -1 3 389.355 3.757 20 0 GHADHM CNC(=O)Oc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000813836052 892038635 /nfs/dbraw/zinc/03/86/35/892038635.db2.gz AENCPABNZIZCRJ-UHFFFAOYSA-N -1 3 393.403 3.520 20 0 GHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000261765128 892105323 /nfs/dbraw/zinc/10/53/23/892105323.db2.gz MRDRHOAORJEQMU-UHFFFAOYSA-N -1 3 398.488 3.574 20 0 GHADHM COc1ccccc1-c1nc(CO[N-]C(=O)CCOc2ccccc2)cs1 ZINC000774818127 913637892 /nfs/dbraw/zinc/63/78/92/913637892.db2.gz COLWJWSLFMNZNP-UHFFFAOYSA-N -1 3 384.457 3.836 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000615093685 892221005 /nfs/dbraw/zinc/22/10/05/892221005.db2.gz DPEZVTQHMXXQHI-UHFFFAOYSA-N -1 3 378.881 3.846 20 0 GHADHM CC(C)Oc1ccc(CC[C@H](C)NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000917604746 892274127 /nfs/dbraw/zinc/27/41/27/892274127.db2.gz XYXHYONHTJFGFE-YIRPMMGJSA-N -1 3 378.472 3.696 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3C2)c1Cl ZINC000917650827 892345311 /nfs/dbraw/zinc/34/53/11/892345311.db2.gz MAOMYZUAKVJHBS-GFCCVEGCSA-N -1 3 386.300 3.831 20 0 GHADHM CC1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(F)(F)C1 ZINC000874853381 892354343 /nfs/dbraw/zinc/35/43/43/892354343.db2.gz DQLNIWYXXWEABZ-KRWDZBQOSA-N -1 3 388.414 3.557 20 0 GHADHM COCO[C@H](C)c1cc(F)c(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874930068 892379198 /nfs/dbraw/zinc/37/91/98/892379198.db2.gz WDMSSLZMYCLWDI-KLRLCVKSSA-N -1 3 390.230 3.594 20 0 GHADHM COc1cccc(C2(CC(=O)Nc3c([O-])cccc3C(C)=O)CCOCC2)c1 ZINC001185121729 913677074 /nfs/dbraw/zinc/67/70/74/913677074.db2.gz DRAODRDXJVRWRQ-UHFFFAOYSA-N -1 3 383.444 3.680 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000263504752 892581083 /nfs/dbraw/zinc/58/10/83/892581083.db2.gz LSIACDNHCOZUDP-SCLBCKFNSA-N -1 3 398.297 3.543 20 0 GHADHM CCOC(=O)c1ccc(C(=O)[N-]c2c(F)ccc(Br)c2F)nc1C ZINC001134407846 892779193 /nfs/dbraw/zinc/77/91/93/892779193.db2.gz BWXYNKCXQLRJIT-UHFFFAOYSA-N -1 3 399.191 3.860 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)c(F)c(F)c1 ZINC000497956615 892845525 /nfs/dbraw/zinc/84/55/25/892845525.db2.gz DLMNECNUKQNPOC-GOSISDBHSA-N -1 3 396.365 3.706 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H](O)C(F)(F)F ZINC000497985315 892884999 /nfs/dbraw/zinc/88/49/99/892884999.db2.gz WNYGIVQREZKHSW-BXKDBHETSA-N -1 3 387.832 3.535 20 0 GHADHM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc([O-])c1F ZINC000129023202 892890482 /nfs/dbraw/zinc/89/04/82/892890482.db2.gz GKUFXQFFRFWTQE-SJAGGWKPSA-N -1 3 388.483 3.827 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000068929986 892964786 /nfs/dbraw/zinc/96/47/86/892964786.db2.gz FYWUAGUSQRXOQZ-OAHLLOKOSA-N -1 3 388.464 3.713 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000162769221 893174238 /nfs/dbraw/zinc/17/42/38/893174238.db2.gz JYKMERJQXXUXHK-WCQYABFASA-N -1 3 383.819 3.595 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185193260 913747374 /nfs/dbraw/zinc/74/73/74/913747374.db2.gz UVBFRTDMSWGPMJ-UHFFFAOYSA-N -1 3 394.250 3.608 20 0 GHADHM Cc1cccc([C@H](NCc2nnc(-c3ccccc3[O-])o2)C(=O)OC(C)(C)C)c1 ZINC000933894361 893286728 /nfs/dbraw/zinc/28/67/28/893286728.db2.gz IHWIZBYUXYCJHA-IBGZPJMESA-N -1 3 395.459 3.923 20 0 GHADHM CCOC(=O)Oc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)cc1 ZINC001134753802 893288342 /nfs/dbraw/zinc/28/83/42/893288342.db2.gz XJJUTUFYKJZWCR-UHFFFAOYSA-N -1 3 397.387 3.527 20 0 GHADHM CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126133359 893309726 /nfs/dbraw/zinc/30/97/26/893309726.db2.gz OHJLATIIODTMPA-UHFFFAOYSA-N -1 3 384.661 3.545 20 0 GHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000933987449 893340667 /nfs/dbraw/zinc/34/06/67/893340667.db2.gz PZJWXCGHXYLTMO-DZGCQCFKSA-N -1 3 382.410 3.900 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1)c1ccc(C)o1 ZINC000815021418 893348673 /nfs/dbraw/zinc/34/86/73/893348673.db2.gz GGWXKEUHHWKESZ-INIZCTEOSA-N -1 3 394.880 3.764 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(O)c3ccc(Cl)cc3)c2)n1 ZINC000815039786 893391899 /nfs/dbraw/zinc/39/18/99/893391899.db2.gz YBVAPRMTFUZDAY-NRFANRHFSA-N -1 3 397.862 3.911 20 0 GHADHM CCOc1cc(CN2CCOC[C@@H]2c2noc(C(C)C)n2)cc(Cl)c1[O-] ZINC000459481891 893593626 /nfs/dbraw/zinc/59/36/26/893593626.db2.gz OEUORFSXEXFCTE-CQSZACIVSA-N -1 3 381.860 3.524 20 0 GHADHM COc1cnccc1[C@H](C)NC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000187486538 893598679 /nfs/dbraw/zinc/59/86/79/893598679.db2.gz GHVYBKXWTALBGL-ZETCQYMHSA-N -1 3 390.658 3.833 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000069602538 893607026 /nfs/dbraw/zinc/60/70/26/893607026.db2.gz LAJYLZACYOFXNF-UHFFFAOYSA-N -1 3 382.290 3.551 20 0 GHADHM CCOc1cc(CNc2ccc3c(c2)N(C(N)=O)CCC3)cc(Cl)c1[O-] ZINC000459500171 893637363 /nfs/dbraw/zinc/63/73/63/893637363.db2.gz ABYZBAGTNMXAMY-UHFFFAOYSA-N -1 3 375.856 3.888 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc4ccncc43)nc21 ZINC001134941278 893655317 /nfs/dbraw/zinc/65/53/17/893655317.db2.gz YIYCEBADBPJYGE-UHFFFAOYSA-N -1 3 378.363 3.679 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000069651458 893690206 /nfs/dbraw/zinc/69/02/06/893690206.db2.gz MAIUPKOKMYJRGA-APWZRJJASA-N -1 3 377.444 3.760 20 0 GHADHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cccc([O-])c1Br ZINC000459569806 893836676 /nfs/dbraw/zinc/83/66/76/893836676.db2.gz YZQPPGNRQYUDER-LBPRGKRZSA-N -1 3 391.313 3.981 20 0 GHADHM CCOc1cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc(Cl)c1[O-] ZINC000459575647 893846999 /nfs/dbraw/zinc/84/69/99/893846999.db2.gz UTUYLRRAFSWCPW-JXFKEZNVSA-N -1 3 379.859 3.744 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000877936803 893903675 /nfs/dbraw/zinc/90/36/75/893903675.db2.gz CVICVECNFDDXOF-INIZCTEOSA-N -1 3 379.416 3.551 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccsc2)c(Cl)cc1Br ZINC001185391172 913834564 /nfs/dbraw/zinc/83/45/64/913834564.db2.gz WFWABGYNFUAQCS-UHFFFAOYSA-N -1 3 382.688 3.973 20 0 GHADHM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1cccnc1C(F)(F)F ZINC000563724655 894113524 /nfs/dbraw/zinc/11/35/24/894113524.db2.gz MTEKDWHGQVECNO-UHFFFAOYSA-N -1 3 396.390 3.611 20 0 GHADHM COC(=O)[C@]1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CC[C@H](C)c2ccccc21 ZINC001135173403 894156176 /nfs/dbraw/zinc/15/61/76/894156176.db2.gz FHINXAQIWASOCS-RBZFPXEDSA-N -1 3 391.389 4.000 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)o1 ZINC000878337140 894201924 /nfs/dbraw/zinc/20/19/24/894201924.db2.gz CZAIQUUXBIMKFN-UHFFFAOYSA-N -1 3 391.427 3.503 20 0 GHADHM O=c1[n-]c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2c1COCC2 ZINC000878344112 894209658 /nfs/dbraw/zinc/20/96/58/894209658.db2.gz SDWZRDGZQBTTPS-UHFFFAOYSA-N -1 3 393.409 3.653 20 0 GHADHM COC[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1cccc(C(F)(F)F)c1 ZINC000878365807 894230605 /nfs/dbraw/zinc/23/06/05/894230605.db2.gz SLRYYLCYYBGQAZ-OAHLLOKOSA-N -1 3 393.365 3.938 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)o1 ZINC000878450836 894302147 /nfs/dbraw/zinc/30/21/47/894302147.db2.gz ATKONJFHZMWMNU-KRWDZBQOSA-N -1 3 389.814 3.808 20 0 GHADHM CCn1c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)nc2ccccc21 ZINC000564028132 894487562 /nfs/dbraw/zinc/48/75/62/894487562.db2.gz YCKJCVFLYXJFGH-UHFFFAOYSA-N -1 3 378.476 3.513 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(-c3cnco3)c1)c2=O ZINC000537213021 894568279 /nfs/dbraw/zinc/56/82/79/894568279.db2.gz IIAUMDKNZQIQNU-UHFFFAOYSA-N -1 3 379.347 3.583 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185497109 913916831 /nfs/dbraw/zinc/91/68/31/913916831.db2.gz QEAUCBJPNIFUBL-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC001135675044 895029654 /nfs/dbraw/zinc/02/96/54/895029654.db2.gz YPGICZGASZQSDJ-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001135679153 895032373 /nfs/dbraw/zinc/03/23/73/895032373.db2.gz QVLBFNOCHRYUDZ-LBPRGKRZSA-N -1 3 378.881 3.693 20 0 GHADHM Cc1csc([C@@](O)(CC(=O)Nc2c([O-])cccc2Cl)C(F)(F)F)n1 ZINC000816769230 895044851 /nfs/dbraw/zinc/04/48/51/895044851.db2.gz YZNLKGHYXARPGD-ZDUSSCGKSA-N -1 3 380.775 3.589 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(F)cc1F ZINC001185524133 913937331 /nfs/dbraw/zinc/93/73/31/913937331.db2.gz BDLZHMZJMKHXBU-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000816943637 895228060 /nfs/dbraw/zinc/22/80/60/895228060.db2.gz GBHVICSPGSSMMC-NVXWUHKLSA-N -1 3 378.222 3.598 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN(CC(F)(F)F)[C@H](C)C2)c1C ZINC000565037253 895362165 /nfs/dbraw/zinc/36/21/65/895362165.db2.gz ZCPYQSDGUNGVTK-GFCCVEGCSA-N -1 3 381.398 3.623 20 0 GHADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1c(Cl)cccc1Cl ZINC000565552083 895716842 /nfs/dbraw/zinc/71/68/42/895716842.db2.gz LFVHVEUVHIZSLJ-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC000880624158 895768657 /nfs/dbraw/zinc/76/86/57/895768657.db2.gz JQZANPXUOUERRM-UHFFFAOYSA-N -1 3 395.362 3.547 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC000880624158 895768675 /nfs/dbraw/zinc/76/86/75/895768675.db2.gz JQZANPXUOUERRM-UHFFFAOYSA-N -1 3 395.362 3.547 20 0 GHADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000778490537 895782685 /nfs/dbraw/zinc/78/26/85/895782685.db2.gz DZUPGKZGSPYLJU-OAHLLOKOSA-N -1 3 375.350 3.629 20 0 GHADHM Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000774914416 914023742 /nfs/dbraw/zinc/02/37/42/914023742.db2.gz ZYMLWFGJWOFLNQ-UHFFFAOYSA-N -1 3 376.261 3.651 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000289103185 914035921 /nfs/dbraw/zinc/03/59/21/914035921.db2.gz MXAGUSJBUVYCLJ-UHFFFAOYSA-N -1 3 390.292 3.865 20 0 GHADHM CC(C)C[C@@H](NC(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000566221385 896183976 /nfs/dbraw/zinc/18/39/76/896183976.db2.gz OLEFGBVWZZSNFI-BHIFYINESA-N -1 3 394.515 3.690 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000818816305 896246647 /nfs/dbraw/zinc/24/66/47/896246647.db2.gz PYLRBAOXKXMUKX-FUHWJXTLSA-N -1 3 388.508 3.952 20 0 GHADHM COc1ccc(Cl)cc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826208548 896313642 /nfs/dbraw/zinc/31/36/42/896313642.db2.gz PUOFRAKFVBAZPZ-HNNXBMFYSA-N -1 3 397.788 3.922 20 0 GHADHM COc1ccc(Cl)cc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826208548 896313660 /nfs/dbraw/zinc/31/36/60/896313660.db2.gz PUOFRAKFVBAZPZ-HNNXBMFYSA-N -1 3 397.788 3.922 20 0 GHADHM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](c4cc(C(C)C)n[nH]4)C3)cnc2n1 ZINC000881455829 896340160 /nfs/dbraw/zinc/34/01/60/896340160.db2.gz ZBAKJQJLPIZOFM-AWEZNQCLSA-N -1 3 379.464 3.510 20 0 GHADHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](c3cc(C(C)C)n[nH]3)C1)c2=O ZINC000881455829 896340180 /nfs/dbraw/zinc/34/01/80/896340180.db2.gz ZBAKJQJLPIZOFM-AWEZNQCLSA-N -1 3 379.464 3.510 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3C)CC2)cc1Cl ZINC000645793464 914068150 /nfs/dbraw/zinc/06/81/50/914068150.db2.gz NCITXKSMUABYBH-UHFFFAOYSA-N -1 3 396.871 3.714 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)CC(F)F ZINC000645794377 914068687 /nfs/dbraw/zinc/06/86/87/914068687.db2.gz BIKZIELPJIGELK-ZETCQYMHSA-N -1 3 376.650 3.672 20 0 GHADHM CSCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228641 896567827 /nfs/dbraw/zinc/56/78/27/896567827.db2.gz VXDYDRGZWQTUBV-AWEZNQCLSA-N -1 3 381.505 3.854 20 0 GHADHM CSCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228641 896567836 /nfs/dbraw/zinc/56/78/36/896567836.db2.gz VXDYDRGZWQTUBV-AWEZNQCLSA-N -1 3 381.505 3.854 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccccc2OCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826240510 896594528 /nfs/dbraw/zinc/59/45/28/896594528.db2.gz XHTSAGBTSOJCKV-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccccc2OCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826240510 896594534 /nfs/dbraw/zinc/59/45/34/896594534.db2.gz XHTSAGBTSOJCKV-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM COc1ccc(SCCC(=O)Nc2cccc(C(C)=O)c2[O-])cc1OC ZINC000566975932 896761937 /nfs/dbraw/zinc/76/19/37/896761937.db2.gz HNKZYLRPJWKRNE-UHFFFAOYSA-N -1 3 375.446 3.733 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819946860 897074758 /nfs/dbraw/zinc/07/47/58/897074758.db2.gz UMWORVHALJFXDM-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819946860 897074772 /nfs/dbraw/zinc/07/47/72/897074772.db2.gz UMWORVHALJFXDM-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000567403331 897125696 /nfs/dbraw/zinc/12/56/96/897125696.db2.gz LWCRJGGKRFZBJT-CYBMUJFWSA-N -1 3 380.473 3.689 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000130684370 897186617 /nfs/dbraw/zinc/18/66/17/897186617.db2.gz PKFNNNCFRYGBAL-HNNXBMFYSA-N -1 3 379.407 3.951 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342860 897281390 /nfs/dbraw/zinc/28/13/90/897281390.db2.gz XFOBZHCWWPRUID-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342860 897281405 /nfs/dbraw/zinc/28/14/05/897281405.db2.gz XFOBZHCWWPRUID-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM Cc1ccccc1NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826307829 897382258 /nfs/dbraw/zinc/38/22/58/897382258.db2.gz XSQNVRFAHKHIAQ-UHFFFAOYSA-N -1 3 394.826 3.658 20 0 GHADHM COc1cccc(S([O-])=CC(=O)O[C@H](COC(C)C)c2cccc(F)c2)c1 ZINC000820627915 897421643 /nfs/dbraw/zinc/42/16/43/897421643.db2.gz VCLLSFYLFNDEON-WINIVTDRSA-N -1 3 394.464 3.651 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826332074 897703363 /nfs/dbraw/zinc/70/33/63/897703363.db2.gz IZJCXQPFVLCJQO-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826332074 897703376 /nfs/dbraw/zinc/70/33/76/897703376.db2.gz IZJCXQPFVLCJQO-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CCN(C(=O)/C=C/SCc1ccco1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149334 897763779 /nfs/dbraw/zinc/76/37/79/897763779.db2.gz VOENYTWVOWRAJA-IEZBTEQYSA-N -1 3 383.477 3.816 20 0 GHADHM CCN(C(=O)/C=C/SCc1ccco1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149334 897763788 /nfs/dbraw/zinc/76/37/88/897763788.db2.gz VOENYTWVOWRAJA-IEZBTEQYSA-N -1 3 383.477 3.816 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2c(Cl)nccc2C(F)(F)F)c1 ZINC000132829460 897924492 /nfs/dbraw/zinc/92/44/92/897924492.db2.gz RFAXRPPAEREKJQ-UHFFFAOYSA-N -1 3 396.749 3.549 20 0 GHADHM COc1ccc(SCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821845238 898092106 /nfs/dbraw/zinc/09/21/06/898092106.db2.gz DJJQIJSBTZOXRQ-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM COc1ccc(SCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821845238 898092117 /nfs/dbraw/zinc/09/21/17/898092117.db2.gz DJJQIJSBTZOXRQ-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCC(F)(F)C(=O)[N-][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000822121546 898216145 /nfs/dbraw/zinc/21/61/45/898216145.db2.gz CNFPOZOQYMZDMU-ZDUSSCGKSA-N -1 3 378.341 3.530 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000568984128 898258570 /nfs/dbraw/zinc/25/85/70/898258570.db2.gz QWHCGBVXQRSHLT-UAGQMJEPSA-N -1 3 386.879 3.776 20 0 GHADHM Cc1nc(CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)oc1-c1ccccc1 ZINC000822436802 898368728 /nfs/dbraw/zinc/36/87/28/898368728.db2.gz RDZHJWSTTNNAKP-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM Cc1nc(CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)oc1-c1ccccc1 ZINC000822436802 898368741 /nfs/dbraw/zinc/36/87/41/898368741.db2.gz RDZHJWSTTNNAKP-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccccc1OCCn1ccnc1 ZINC000800034400 898523037 /nfs/dbraw/zinc/52/30/37/898523037.db2.gz TWBCYRZMPJAFGW-NTEUORMPSA-N -1 3 387.436 3.514 20 0 GHADHM O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1[n-]cnc1C(F)(F)F ZINC001136634806 898660394 /nfs/dbraw/zinc/66/03/94/898660394.db2.gz QUKACDYCAYPLCW-UHFFFAOYSA-N -1 3 392.265 3.612 20 0 GHADHM O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1nc[n-]c1C(F)(F)F ZINC001136634806 898660402 /nfs/dbraw/zinc/66/04/02/898660402.db2.gz QUKACDYCAYPLCW-UHFFFAOYSA-N -1 3 392.265 3.612 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000826377096 898661340 /nfs/dbraw/zinc/66/13/40/898661340.db2.gz DQWZFWWQUPHVGO-OAHLLOKOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1nn[n-]n1 ZINC000826377096 898661349 /nfs/dbraw/zinc/66/13/49/898661349.db2.gz DQWZFWWQUPHVGO-OAHLLOKOSA-N -1 3 393.344 3.603 20 0 GHADHM O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136638774 898695853 /nfs/dbraw/zinc/69/58/53/898695853.db2.gz MAHNISNMZHFUCQ-FQEVSTJZSA-N -1 3 388.423 3.720 20 0 GHADHM CCCCOc1ccc(-c2nnc(COC(=O)c3cccc4nn[n-]c43)o2)cc1 ZINC000800206854 898741770 /nfs/dbraw/zinc/74/17/70/898741770.db2.gz JWKPQDIKSDKAIX-UHFFFAOYSA-N -1 3 393.403 3.544 20 0 GHADHM CCCCOc1ccc(-c2nnc(COC(=O)c3cccc4[n-]nnc43)o2)cc1 ZINC000800206854 898741776 /nfs/dbraw/zinc/74/17/76/898741776.db2.gz JWKPQDIKSDKAIX-UHFFFAOYSA-N -1 3 393.403 3.544 20 0 GHADHM CCCCOc1ccc(-c2nnc(COC(=O)c3cccc4n[n-]nc43)o2)cc1 ZINC000800206854 898741780 /nfs/dbraw/zinc/74/17/80/898741780.db2.gz JWKPQDIKSDKAIX-UHFFFAOYSA-N -1 3 393.403 3.544 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)c1cccc2nn[n-]c21 ZINC000800206410 898741850 /nfs/dbraw/zinc/74/18/50/898741850.db2.gz DMCMIEWCLJHBSR-UHFFFAOYSA-N -1 3 395.850 3.830 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)c1cccc2[n-]nnc21 ZINC000800206410 898741859 /nfs/dbraw/zinc/74/18/59/898741859.db2.gz DMCMIEWCLJHBSR-UHFFFAOYSA-N -1 3 395.850 3.830 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)c1cccc2n[n-]nc21 ZINC000800206410 898741862 /nfs/dbraw/zinc/74/18/62/898741862.db2.gz DMCMIEWCLJHBSR-UHFFFAOYSA-N -1 3 395.850 3.830 20 0 GHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000800207197 898743684 /nfs/dbraw/zinc/74/36/84/898743684.db2.gz PZBMYDSRFBVCPF-ZIAGYGMSSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000800207197 898743687 /nfs/dbraw/zinc/74/36/87/898743687.db2.gz PZBMYDSRFBVCPF-ZIAGYGMSSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000800207197 898743694 /nfs/dbraw/zinc/74/36/94/898743694.db2.gz PZBMYDSRFBVCPF-ZIAGYGMSSA-N -1 3 388.427 3.534 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001136653724 898775542 /nfs/dbraw/zinc/77/55/42/898775542.db2.gz FWUJMOQYGRJQFR-HIZXUYSRSA-N -1 3 381.863 3.648 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001136655346 898784730 /nfs/dbraw/zinc/78/47/30/898784730.db2.gz PYRFSCDRSFEBHN-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001136655346 898784738 /nfs/dbraw/zinc/78/47/38/898784738.db2.gz PYRFSCDRSFEBHN-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM CCC[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000043712989 898838101 /nfs/dbraw/zinc/83/81/01/898838101.db2.gz GQOJFIUVGVJRDC-MRXNPFEDSA-N -1 3 390.281 3.935 20 0 GHADHM O=C(NCCCC(F)(F)F)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823188488 898877463 /nfs/dbraw/zinc/87/74/63/898877463.db2.gz ZWNAFKADIGQYIW-UHFFFAOYSA-N -1 3 391.353 3.731 20 0 GHADHM O=C(NCCCC(F)(F)F)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823188488 898877471 /nfs/dbraw/zinc/87/74/71/898877471.db2.gz ZWNAFKADIGQYIW-UHFFFAOYSA-N -1 3 391.353 3.731 20 0 GHADHM [O-]c1cccnc1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000569710903 898904590 /nfs/dbraw/zinc/90/45/90/898904590.db2.gz ZZQDFGBJMXUWEM-UHFFFAOYSA-N -1 3 381.505 3.646 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823246479 898939185 /nfs/dbraw/zinc/93/91/85/898939185.db2.gz QVPCSGPEBARNSD-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823246479 898939195 /nfs/dbraw/zinc/93/91/95/898939195.db2.gz QVPCSGPEBARNSD-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823367218 898984610 /nfs/dbraw/zinc/98/46/10/898984610.db2.gz GRKHKVPQWVFCGR-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823367218 898984617 /nfs/dbraw/zinc/98/46/17/898984617.db2.gz GRKHKVPQWVFCGR-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccncc1Cl ZINC000823417847 899041131 /nfs/dbraw/zinc/04/11/31/899041131.db2.gz KOEQDFJECWRCNP-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccncc1Cl ZINC000823417847 899041145 /nfs/dbraw/zinc/04/11/45/899041145.db2.gz KOEQDFJECWRCNP-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646200715 914319976 /nfs/dbraw/zinc/31/99/76/914319976.db2.gz KFRQBSXCJWNXSF-GJZGRUSLSA-N -1 3 397.475 3.502 20 0 GHADHM COC(=O)C[C@@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115190777 899166737 /nfs/dbraw/zinc/16/67/37/899166737.db2.gz WRUNPTXQVKTXDO-ZJUUUORDSA-N -1 3 378.475 3.990 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)CCC1CCCCC1 ZINC000115445619 899189176 /nfs/dbraw/zinc/18/91/76/899189176.db2.gz FSRVPIYZLDWRGK-INIZCTEOSA-N -1 3 396.535 3.938 20 0 GHADHM COC(=O)c1ccccc1NC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001202680346 899245748 /nfs/dbraw/zinc/24/57/48/899245748.db2.gz JMKMUPQGBRBZDS-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC001136780573 899250945 /nfs/dbraw/zinc/25/09/45/899250945.db2.gz JVKYRFIWJRHULV-UHFFFAOYSA-N -1 3 376.497 3.987 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1C ZINC000116159831 899252089 /nfs/dbraw/zinc/25/20/89/899252089.db2.gz WIMWTVADVVCOAN-VWLOTQADSA-N -1 3 395.546 3.852 20 0 GHADHM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824150183 899427059 /nfs/dbraw/zinc/42/70/59/899427059.db2.gz FKBFILLVMGMUPY-PKNBQFBNSA-N -1 3 395.381 3.844 20 0 GHADHM CC(C)(c1nnc(NCc2cccc(-c3nnn[n-]3)c2)s1)c1ccccc1 ZINC000824177657 899445174 /nfs/dbraw/zinc/44/51/74/899445174.db2.gz IBSFQTMFUAHRAV-UHFFFAOYSA-N -1 3 377.477 3.656 20 0 GHADHM CC(C)(c1nnc(NCc2cccc(-c3nn[n-]n3)c2)s1)c1ccccc1 ZINC000824177657 899445184 /nfs/dbraw/zinc/44/51/84/899445184.db2.gz IBSFQTMFUAHRAV-UHFFFAOYSA-N -1 3 377.477 3.656 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1F ZINC001186186358 914348836 /nfs/dbraw/zinc/34/88/36/914348836.db2.gz OIEASTMQJCVCKC-MELADBBJSA-N -1 3 375.481 3.960 20 0 GHADHM CC(C)Cn1ncc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1C(F)F ZINC000824284444 899484935 /nfs/dbraw/zinc/48/49/35/899484935.db2.gz IXFYFUYECQFMCL-SNVBAGLBSA-N -1 3 379.390 3.969 20 0 GHADHM CC(C)Cn1ncc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1C(F)F ZINC000824284444 899484941 /nfs/dbraw/zinc/48/49/41/899484941.db2.gz IXFYFUYECQFMCL-SNVBAGLBSA-N -1 3 379.390 3.969 20 0 GHADHM C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478574 899622911 /nfs/dbraw/zinc/62/29/11/899622911.db2.gz HZZJADPUCPENAE-XIKARTHZSA-N -1 3 381.402 3.803 20 0 GHADHM C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478574 899622915 /nfs/dbraw/zinc/62/29/15/899622915.db2.gz HZZJADPUCPENAE-XIKARTHZSA-N -1 3 381.402 3.803 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824530634 899662753 /nfs/dbraw/zinc/66/27/53/899662753.db2.gz MLYXJKLNPINXBO-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824530634 899662757 /nfs/dbraw/zinc/66/27/57/899662757.db2.gz MLYXJKLNPINXBO-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156301060 899668546 /nfs/dbraw/zinc/66/85/46/899668546.db2.gz XVVAKHGJJSAUBX-UHFFFAOYSA-N -1 3 384.432 3.799 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c(=O)[n-]1 ZINC000016468696 899705909 /nfs/dbraw/zinc/70/59/09/899705909.db2.gz GPKKNIMDBDIHJM-VIFPVBQESA-N -1 3 386.254 3.643 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCCC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000016468212 899706265 /nfs/dbraw/zinc/70/62/65/899706265.db2.gz JMLDLJMZVHZSHI-UHFFFAOYSA-N -1 3 389.499 3.658 20 0 GHADHM O=C(C=C1CCCCC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826400030 899713117 /nfs/dbraw/zinc/71/31/17/899713117.db2.gz NGUJBKCTFUWOCT-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM C[C@@H](NCc1noc(C2CC2)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824632734 899728623 /nfs/dbraw/zinc/72/86/23/899728623.db2.gz CQRRCHPHKHIPAH-CYBMUJFWSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](NCc1noc(C2CC2)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824632734 899728633 /nfs/dbraw/zinc/72/86/33/899728633.db2.gz CQRRCHPHKHIPAH-CYBMUJFWSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](Nc1ccnc(N(C)C)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824662959 899751483 /nfs/dbraw/zinc/75/14/83/899751483.db2.gz TXZMQPGYBQYINC-CQSZACIVSA-N -1 3 386.463 3.563 20 0 GHADHM C[C@@H](OC(=O)CCCCC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712893 899781481 /nfs/dbraw/zinc/78/14/81/899781481.db2.gz DXXMRZRPCBAVKH-OAHLLOKOSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@@H](OC(=O)CCCCC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712893 899781491 /nfs/dbraw/zinc/78/14/91/899781491.db2.gz DXXMRZRPCBAVKH-OAHLLOKOSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000824755923 899809429 /nfs/dbraw/zinc/80/94/29/899809429.db2.gz MVHODQXMVGGNGY-SNVBAGLBSA-N -1 3 399.442 3.815 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000824755923 899809436 /nfs/dbraw/zinc/80/94/36/899809436.db2.gz MVHODQXMVGGNGY-SNVBAGLBSA-N -1 3 399.442 3.815 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824867380 899844554 /nfs/dbraw/zinc/84/45/54/899844554.db2.gz PNFUMJRPTQRFCS-DJJJIMSYSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824867380 899844566 /nfs/dbraw/zinc/84/45/66/899844566.db2.gz PNFUMJRPTQRFCS-DJJJIMSYSA-N -1 3 391.431 3.603 20 0 GHADHM CCC(CC)(OC)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000571454202 899874221 /nfs/dbraw/zinc/87/42/21/899874221.db2.gz WZZZFVUFBGAKRW-UHFFFAOYSA-N -1 3 399.488 3.614 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000333030243 899903702 /nfs/dbraw/zinc/90/37/02/899903702.db2.gz HJGJCAVUZSRRJF-AOMKIAJQSA-N -1 3 383.444 3.595 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCCC[C@@H]12 ZINC000824974821 899922372 /nfs/dbraw/zinc/92/23/72/899922372.db2.gz GHOCWYOOZCZMLU-GMXABZIVSA-N -1 3 394.401 3.928 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCCC[C@@H]12 ZINC000824974821 899922381 /nfs/dbraw/zinc/92/23/81/899922381.db2.gz GHOCWYOOZCZMLU-GMXABZIVSA-N -1 3 394.401 3.928 20 0 GHADHM CCc1ccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c([O-])c1 ZINC001136978635 899942190 /nfs/dbraw/zinc/94/21/90/899942190.db2.gz LUXVLNVSZXZMKF-LBPRGKRZSA-N -1 3 378.266 3.914 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825082642 899967783 /nfs/dbraw/zinc/96/77/83/899967783.db2.gz UJDBMUHHBSLTPW-AWEZNQCLSA-N -1 3 397.483 3.530 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825082642 899967789 /nfs/dbraw/zinc/96/77/89/899967789.db2.gz UJDBMUHHBSLTPW-AWEZNQCLSA-N -1 3 397.483 3.530 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000825148096 900005649 /nfs/dbraw/zinc/00/56/49/900005649.db2.gz OIOACGRKULXFBV-LJQANCHMSA-N -1 3 396.470 3.530 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000825148096 900005653 /nfs/dbraw/zinc/00/56/53/900005653.db2.gz OIOACGRKULXFBV-LJQANCHMSA-N -1 3 396.470 3.530 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(F)c(C(F)(F)F)cc1F ZINC000825304864 900080013 /nfs/dbraw/zinc/08/00/13/900080013.db2.gz LUGGGSXQCJBLOC-UHFFFAOYSA-N -1 3 387.308 3.677 20 0 GHADHM O=S(=O)(Cc1ccccc1Br)[N-]c1cccc2ncccc12 ZINC000572230554 900111576 /nfs/dbraw/zinc/11/15/76/900111576.db2.gz GHYPQWKQEQXYQX-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825348521 900112159 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GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](c4ccncc4)C3)cc2)cc(=O)[n-]1 ZINC000631472023 907723423 /nfs/dbraw/zinc/72/34/23/907723423.db2.gz JESRQGBBBGCGAI-SFHVURJKSA-N -1 3 389.459 3.964 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cscc1Br)c1nccs1 ZINC000632016610 907897080 /nfs/dbraw/zinc/89/70/80/907897080.db2.gz XEKVIKAFSFJUCX-LLVKDONJSA-N -1 3 381.342 3.571 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2CCN([C@@H](C)c3ccncc3)CC2)sc1Cl ZINC000188124794 908179813 /nfs/dbraw/zinc/17/98/13/908179813.db2.gz PMFRZSRQNTTWLO-ZDUSSCGKSA-N -1 3 399.969 3.609 20 0 GHADHM CC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000299507998 921388936 /nfs/dbraw/zinc/38/89/36/921388936.db2.gz MCVQYMQNIPMERR-IBGZPJMESA-N -1 3 376.460 3.753 20 0 GHADHM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)cc2C1 ZINC001176773890 908259185 /nfs/dbraw/zinc/25/91/85/908259185.db2.gz CPYIQBYTAKXUSG-HNNXBMFYSA-N -1 3 387.553 3.507 20 0 GHADHM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)cc2C1 ZINC001176773890 908259199 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Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC001274350958 909549762 /nfs/dbraw/zinc/54/97/62/909549762.db2.gz XCWMECDJZSZEFC-UHFFFAOYSA-N -1 3 387.490 3.511 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC001179528324 909562790 /nfs/dbraw/zinc/56/27/90/909562790.db2.gz XFEYFJYERAXVNB-MSOLQXFVSA-N -1 3 383.448 3.724 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC001179796587 909736589 /nfs/dbraw/zinc/73/65/89/909736589.db2.gz UEHFLZIXZVCDGJ-CQSZACIVSA-N -1 3 387.741 3.709 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)C1(c2nccc3ccccc32)CC1 ZINC000637376865 909798339 /nfs/dbraw/zinc/79/83/39/909798339.db2.gz XAHLDXJBESOBTL-UHFFFAOYSA-N -1 3 394.784 3.739 20 0 GHADHM O=C(Cc1ccccc1OC(F)(F)F)Nc1ncc([O-])cc1Br ZINC001179913268 909832851 /nfs/dbraw/zinc/83/28/51/909832851.db2.gz LMBOKPYKTUWLSE-UHFFFAOYSA-N -1 3 391.143 3.630 20 0 GHADHM Cc1ccccc1C[C@H](C)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954821 909863647 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GHADHM C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639819376 910691949 /nfs/dbraw/zinc/69/19/49/910691949.db2.gz BFUKNYRUZXADDA-MAUKXSAKSA-N -1 3 391.475 3.675 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[N-]OC1CCOCC1 ZINC000773920702 910764986 /nfs/dbraw/zinc/76/49/86/910764986.db2.gz HVAGFLSVMVHMOG-UHFFFAOYSA-N -1 3 398.290 3.565 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCSc2c(C)[nH]c3ccccc32)c1 ZINC001181557949 910836338 /nfs/dbraw/zinc/83/63/38/910836338.db2.gz HKSQPIJMNYMDHH-UHFFFAOYSA-N -1 3 383.473 3.662 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001181567182 910860275 /nfs/dbraw/zinc/86/02/75/910860275.db2.gz HEDKWDGNTIARBZ-UHFFFAOYSA-N -1 3 389.499 3.995 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)[n-]1 ZINC000640313075 910965218 /nfs/dbraw/zinc/96/52/18/910965218.db2.gz RGYDWEZMKCXBNW-GFCCVEGCSA-N -1 3 395.276 3.545 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)N=c2[n-]n(C)cc2Br)o1 ZINC000640313263 910965585 /nfs/dbraw/zinc/96/55/85/910965585.db2.gz HSRBMNYQTLGPTA-GXFFZTMASA-N -1 3 381.274 3.511 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)c[n-]c12 ZINC001182091699 911188741 /nfs/dbraw/zinc/18/87/41/911188741.db2.gz OFJQVMFIGCFQSF-UHFFFAOYSA-N -1 3 375.428 3.524 20 0 GHADHM CCN(CC)[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC001182220033 911311084 /nfs/dbraw/zinc/31/10/84/911311084.db2.gz HQRPPCTYFMIDRN-QGZVFWFLSA-N -1 3 384.871 3.542 20 0 GHADHM CCN(CC)[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC001182220033 911311103 /nfs/dbraw/zinc/31/11/03/911311103.db2.gz HQRPPCTYFMIDRN-QGZVFWFLSA-N -1 3 384.871 3.542 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000901872201 921668371 /nfs/dbraw/zinc/66/83/71/921668371.db2.gz XIUHZDUCFIHBAA-UHFFFAOYSA-N -1 3 385.512 3.508 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1[O-] ZINC000641894626 911575545 /nfs/dbraw/zinc/57/55/45/911575545.db2.gz NGSYTUDIJBYERB-UHFFFAOYSA-N -1 3 381.457 3.672 20 0 GHADHM Cc1ccc(-c2ncc(CN3CCC(n4cc(C(=O)[O-])cn4)CC3)s2)cc1 ZINC000901879096 921679257 /nfs/dbraw/zinc/67/92/57/921679257.db2.gz MJSQREUMYLEADZ-UHFFFAOYSA-N -1 3 382.489 3.850 20 0 GHADHM COc1cccc(CCC(=O)Nc2ccc(Br)cc2[O-])c1OC ZINC000642323481 911981839 /nfs/dbraw/zinc/98/18/39/911981839.db2.gz CCDWAWBHITVSEQ-UHFFFAOYSA-N -1 3 380.238 3.743 20 0 GHADHM C[C@H](N[C@@H]1CCc2cccc(Br)c2C1)c1ncc(C(=O)[O-])s1 ZINC000901909347 921727217 /nfs/dbraw/zinc/72/72/17/921727217.db2.gz YNUQKCNNEZYVLW-GXSJLCMTSA-N -1 3 381.295 3.812 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2cnc(Cl)c(Br)c2)c(F)c1 ZINC000775069843 914948568 /nfs/dbraw/zinc/94/85/68/914948568.db2.gz UTVAQTBKJLTOTP-UHFFFAOYSA-N -1 3 393.665 3.887 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001186992947 914962434 /nfs/dbraw/zinc/96/24/34/914962434.db2.gz XVJDTMLANLEEDW-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001186992947 914962462 /nfs/dbraw/zinc/96/24/62/914962462.db2.gz XVJDTMLANLEEDW-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM Cc1ccccc1C1([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)COC1 ZINC001187085493 915024376 /nfs/dbraw/zinc/02/43/76/915024376.db2.gz JBWSUVYCUCREFT-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C12CCCC2 ZINC001187612592 915381772 /nfs/dbraw/zinc/38/17/72/915381772.db2.gz VLEDPFHQLIJMFB-DLBZAZTESA-N -1 3 381.469 3.896 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1cnn(CC(F)(F)F)c1 ZINC001187615996 915384524 /nfs/dbraw/zinc/38/45/24/915384524.db2.gz UAZMGHMWWPZDFR-UHFFFAOYSA-N -1 3 383.395 3.583 20 0 GHADHM O=C(NCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1)c1cccs1 ZINC000647797607 915390191 /nfs/dbraw/zinc/39/01/91/915390191.db2.gz UVEKEPKHBKAYQO-UHFFFAOYSA-N -1 3 392.440 3.512 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1cccc2ccccc21)c1ccccc1 ZINC001187649230 915448529 /nfs/dbraw/zinc/44/85/29/915448529.db2.gz OHPNYAZVKUDDMU-OAQYLSRUSA-N -1 3 397.496 3.606 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c(C)nn(C(C)C)c3C)c2)n1 ZINC000292025971 915480791 /nfs/dbraw/zinc/48/07/91/915480791.db2.gz PEFCZWBTOQBRLZ-UHFFFAOYSA-N -1 3 393.491 3.987 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)Nc2ccc3c(c2)OCO3)onc1-c1ccccc1 ZINC001187834442 915580636 /nfs/dbraw/zinc/58/06/36/915580636.db2.gz UYSJOWGXWGGJGL-UHFFFAOYSA-N -1 3 395.371 3.891 20 0 GHADHM CCCCC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)OC ZINC001187884274 915604866 /nfs/dbraw/zinc/60/48/66/915604866.db2.gz NKHCIJGSUVOVQK-HNNXBMFYSA-N -1 3 396.534 3.519 20 0 GHADHM CCOc1ccc(C[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648431196 915697165 /nfs/dbraw/zinc/69/71/65/915697165.db2.gz LXNVCWXBKZVZIT-NSHDSACASA-N -1 3 389.805 3.737 20 0 GHADHM CC1(C)C[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c2ccccc2O1 ZINC000648430862 915699157 /nfs/dbraw/zinc/69/91/57/915699157.db2.gz ASHXVXUBUCBYJJ-LLVKDONJSA-N -1 3 387.789 3.804 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188097510 915754163 /nfs/dbraw/zinc/75/41/63/915754163.db2.gz MAPHURGJQHNJOU-YPMHNXCESA-N -1 3 377.680 3.876 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl)c1cnccn1 ZINC001188193977 915803493 /nfs/dbraw/zinc/80/34/93/915803493.db2.gz MSMHTGPMNALRAV-JTQLQIEISA-N -1 3 394.884 3.608 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)C(=O)N2 ZINC001188453875 915979161 /nfs/dbraw/zinc/97/91/61/915979161.db2.gz YEZBMPCPTYEGED-HXUWFJFHSA-N -1 3 396.443 3.773 20 0 GHADHM CC(C)CN1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686932 916005356 /nfs/dbraw/zinc/00/53/56/916005356.db2.gz UUNLNGULTPKYMB-FQEVSTJZSA-N -1 3 378.900 3.546 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253537808 916085943 /nfs/dbraw/zinc/08/59/43/916085943.db2.gz DNDCSZLBCSLLIV-CHWSQXEVSA-N -1 3 375.494 3.647 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)Nc2cc(Cl)cc(C(=O)OC)c2[O-])c1 ZINC001188672377 916134259 /nfs/dbraw/zinc/13/42/59/916134259.db2.gz GLKGPLNNVJYUSV-UHFFFAOYSA-N -1 3 392.795 3.653 20 0 GHADHM CN(C)c1ncc(-c2cc(C(=O)Nc3ccc(F)c([O-])c3)n(CC3CC3)c2)cn1 ZINC001188755188 916181964 /nfs/dbraw/zinc/18/19/64/916181964.db2.gz DZTOJAVNVSANET-UHFFFAOYSA-N -1 3 395.438 3.518 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc2ccccc21 ZINC001188931692 916295706 /nfs/dbraw/zinc/29/57/06/916295706.db2.gz OEHRLHKLOXMWAW-KRWDZBQOSA-N -1 3 383.448 3.887 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Nc1cccc2ccccc21 ZINC001188931692 916295726 /nfs/dbraw/zinc/29/57/26/916295726.db2.gz OEHRLHKLOXMWAW-KRWDZBQOSA-N -1 3 383.448 3.887 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC001189072113 916388766 /nfs/dbraw/zinc/38/87/66/916388766.db2.gz NNXGDYNJQJANOI-JKSUJKDBSA-N -1 3 393.908 3.827 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)nc2Cl)c1 ZINC001189197468 916455624 /nfs/dbraw/zinc/45/56/24/916455624.db2.gz VWEYWGUGDBFPGI-UHFFFAOYSA-N -1 3 394.758 3.637 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(F)cc1F ZINC001189385631 916581475 /nfs/dbraw/zinc/58/14/75/916581475.db2.gz MWNUQAVGFWFFIE-UHFFFAOYSA-N -1 3 395.358 3.845 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)c1 ZINC001189358201 916596677 /nfs/dbraw/zinc/59/66/77/916596677.db2.gz CIMDJQBAGSKFHQ-UHFFFAOYSA-N -1 3 379.453 3.523 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccc(F)c3ccccc32)cc(Cl)c1[O-] ZINC001189403697 916609963 /nfs/dbraw/zinc/60/99/63/916609963.db2.gz FCGDZJZZACFCMW-UHFFFAOYSA-N -1 3 395.839 3.825 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ncc(Br)cc1Cl ZINC001189408513 916614681 /nfs/dbraw/zinc/61/46/81/916614681.db2.gz JJQOEMCKJUFSOB-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cnc(Cl)c(Br)c1 ZINC001189416849 916621312 /nfs/dbraw/zinc/62/13/12/916621312.db2.gz DLLIIBAAWBZLEN-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)[N-]c1cccc2nsnc21 ZINC001189461005 916663672 /nfs/dbraw/zinc/66/36/72/916663672.db2.gz NFMMZSLSHLQZDS-UHFFFAOYSA-N -1 3 390.415 3.704 20 0 GHADHM O=c1cc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)n(C2CCCC2)[n-]1 ZINC001189498556 916679666 /nfs/dbraw/zinc/67/96/66/916679666.db2.gz KZWOIFSDFGLYAS-UHFFFAOYSA-N -1 3 389.399 3.665 20 0 GHADHM CO[C@H](C)c1nc(CN2CCCN(Cc3cccc([O-])c3Cl)CC2)cs1 ZINC000294336165 916746855 /nfs/dbraw/zinc/74/68/55/916746855.db2.gz RVTMPWOIYNZRTF-CQSZACIVSA-N -1 3 395.956 3.917 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Br)c1ccc(Cl)s1 ZINC001189728447 916887013 /nfs/dbraw/zinc/88/70/13/916887013.db2.gz WRQBRLMKQZHAAT-GXSJLCMTSA-N -1 3 392.727 3.998 20 0 GHADHM O=C(Nc1ccc(-c2cc(CO)on2)cc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766742 916901828 /nfs/dbraw/zinc/90/18/28/916901828.db2.gz PPCFZQMGYMLNHF-UHFFFAOYSA-N -1 3 394.305 3.690 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ncc(Br)cc1Cl ZINC001189774061 916908387 /nfs/dbraw/zinc/90/83/87/916908387.db2.gz QTIDZZHEAYEACC-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1Cl)c1cc(Br)ccc1Cl ZINC001189760358 916931000 /nfs/dbraw/zinc/93/10/00/916931000.db2.gz UHBQZPYNFZSXGR-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COC(=O)c1cccc2c([N-]S(=O)(=O)Cc3ccc(F)cc3F)cccc12 ZINC001189830673 916953675 /nfs/dbraw/zinc/95/36/75/916953675.db2.gz DKIBIXYEBNSFCV-UHFFFAOYSA-N -1 3 391.395 3.847 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C ZINC001189831682 916955216 /nfs/dbraw/zinc/95/52/16/916955216.db2.gz RYCPWEHIWXKPAZ-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2Cl)ccc1F ZINC001190108538 917101355 /nfs/dbraw/zinc/10/13/55/917101355.db2.gz SVPONHFPIZLYCK-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM COc1cc([O-])c(C(=O)N[C@H](c2ccncc2C(F)(F)F)C2CC2)c(OC)c1 ZINC001190144167 917125859 /nfs/dbraw/zinc/12/58/59/917125859.db2.gz IKHVLLXSEBHZPH-KRWDZBQOSA-N -1 3 396.365 3.704 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC001190339137 917270299 /nfs/dbraw/zinc/27/02/99/917270299.db2.gz IHHFKANPFSRZNE-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM COC(=O)c1cnc([N-]C(=O)c2sc(C)nc2C(F)(F)F)c(Cl)c1 ZINC001190488032 917347235 /nfs/dbraw/zinc/34/72/35/917347235.db2.gz FCFSUTIEALGFGT-UHFFFAOYSA-N -1 3 379.747 3.558 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1Cl ZINC001190582979 917429294 /nfs/dbraw/zinc/42/92/94/917429294.db2.gz IOYVIWVKIIZQJE-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCC(F)(F)CC1 ZINC001190602645 917442662 /nfs/dbraw/zinc/44/26/62/917442662.db2.gz TXBMELJHPGWDFF-UHFFFAOYSA-N -1 3 395.855 3.763 20 0 GHADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910731 917660335 /nfs/dbraw/zinc/66/03/35/917660335.db2.gz WVRIFBRHEUJSJO-VIFPVBQESA-N -1 3 381.657 3.790 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)cc1C ZINC001191005048 917701369 /nfs/dbraw/zinc/70/13/69/917701369.db2.gz INOIQUMHGIPTBS-UHFFFAOYSA-N -1 3 398.406 3.556 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nncn2CCc2cccs2)no1 ZINC000363097669 917767525 /nfs/dbraw/zinc/76/75/25/917767525.db2.gz DDMMENVOSDCCHX-UHFFFAOYSA-N -1 3 385.474 3.630 20 0 GHADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC001191122964 917768397 /nfs/dbraw/zinc/76/83/97/917768397.db2.gz CTIWUVCVGSMOBR-GXSJLCMTSA-N -1 3 397.132 3.534 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000363099254 917771000 /nfs/dbraw/zinc/77/10/00/917771000.db2.gz FMOMWMLGAHERBJ-CQSZACIVSA-N -1 3 396.878 3.968 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)c(OC)c2)cc1 ZINC001191252837 917848541 /nfs/dbraw/zinc/84/85/41/917848541.db2.gz GEVXCNDWABKCPE-UHFFFAOYSA-N -1 3 391.489 3.616 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2F)cc1 ZINC001191451004 917983323 /nfs/dbraw/zinc/98/33/23/917983323.db2.gz MZDOJOBQNIFFCT-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000652818555 918020026 /nfs/dbraw/zinc/02/00/26/918020026.db2.gz KKYKLKDPHVPOFN-AWEZNQCLSA-N -1 3 387.455 3.959 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(C2SCCS2)c1 ZINC000775470459 918112722 /nfs/dbraw/zinc/11/27/22/918112722.db2.gz KLZHTKGFFZXTTM-UHFFFAOYSA-N -1 3 389.428 3.624 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CSc2ccccc2O1)c1ccc(Cl)cc1F ZINC001191720697 918142062 /nfs/dbraw/zinc/14/20/62/918142062.db2.gz QTAHWFBCJDJDJV-LBPRGKRZSA-N -1 3 387.885 3.701 20 0 GHADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001192058080 918392992 /nfs/dbraw/zinc/39/29/92/918392992.db2.gz ZKVQIHFUGUWFKL-VXGBXAGGSA-N -1 3 382.320 3.541 20 0 GHADHM COC(=O)[C@H]1C[C@@H]1c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001192189601 918483986 /nfs/dbraw/zinc/48/39/86/918483986.db2.gz PYWPYEIYTIOLIQ-KGLIPLIRSA-N -1 3 390.233 3.684 20 0 GHADHM COc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(C2CC2)cc1Cl ZINC000654342356 919050330 /nfs/dbraw/zinc/05/03/30/919050330.db2.gz HSJGHPIOVBSABY-UHFFFAOYSA-N -1 3 375.856 3.910 20 0 GHADHM O=C(Nc1ccccc1)[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800260735 919798659 /nfs/dbraw/zinc/79/86/59/919798659.db2.gz MCFNBANCWLMPGA-IBGZPJMESA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccccc1)[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800260735 919798665 /nfs/dbraw/zinc/79/86/65/919798665.db2.gz MCFNBANCWLMPGA-IBGZPJMESA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccccc1)[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800260735 919798674 /nfs/dbraw/zinc/79/86/74/919798674.db2.gz MCFNBANCWLMPGA-IBGZPJMESA-N -1 3 390.374 3.634 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)[C@@H](C)C(C)(C)O)nc(=O)c3s2)cc1 ZINC000298034539 920117856 /nfs/dbraw/zinc/11/78/56/920117856.db2.gz CPRPQIIIIFRWAW-LBPRGKRZSA-N -1 3 387.505 3.664 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc(OC)c1[O-] ZINC000364907704 920183275 /nfs/dbraw/zinc/18/32/75/920183275.db2.gz SAZWVYONQNEFAW-INIZCTEOSA-N -1 3 385.464 3.528 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)c(=O)[n-]1 ZINC000365172802 920470182 /nfs/dbraw/zinc/47/01/82/920470182.db2.gz YVHCOEKTKMTBEU-AWEZNQCLSA-N -1 3 396.274 3.678 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)CCC2)n1 ZINC000800919142 920600255 /nfs/dbraw/zinc/60/02/55/920600255.db2.gz OGEPMPRCNDYEPP-UHFFFAOYSA-N -1 3 396.921 3.592 20 0 GHADHM O=C(OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cc2sccc2c([O-])c1 ZINC000801327265 920929345 /nfs/dbraw/zinc/92/93/45/920929345.db2.gz ZJQIZSAECXVSLW-CQSZACIVSA-N -1 3 381.453 3.926 20 0 GHADHM CCOC(=O)C(=Cc1cncn1C(C)C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000901431101 921099908 /nfs/dbraw/zinc/09/99/08/921099908.db2.gz JRVALPBZTINLLP-VGOFMYFVSA-N -1 3 386.477 3.895 20 0 GHADHM C[C@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H](C(=O)[O-])C1 ZINC000902011576 921813202 /nfs/dbraw/zinc/81/32/02/921813202.db2.gz KYXLQHFOZRCHOX-CABZTGNLSA-N -1 3 378.213 3.736 20 0 GHADHM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)o1 ZINC000902211354 921989945 /nfs/dbraw/zinc/98/99/45/921989945.db2.gz PYTPPRGAOZUAAI-FEAKQIBJSA-N -1 3 397.406 3.946 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000802324505 922021726 /nfs/dbraw/zinc/02/17/26/922021726.db2.gz WHYWMOWDHVZAPX-QFIPXVFZSA-N -1 3 388.508 3.818 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@@H](CO[N-]C(=O)Cc2cccc3ccccc32)C1 ZINC000902252415 922030544 /nfs/dbraw/zinc/03/05/44/922030544.db2.gz FPNCCDIXOYSIOK-QGZVFWFLSA-N -1 3 382.504 3.715 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CNC[C@H]3CCC4(CCOCC4)CO3)o2)cc1 ZINC000902500186 922242271 /nfs/dbraw/zinc/24/22/71/922242271.db2.gz FKJWJCOJVMBALM-GOSISDBHSA-N -1 3 385.460 3.710 20 0 GHADHM Cc1cc(Oc2cc(Cl)ccc2CN(C)C[C@](C)(O)C(=O)[O-])ccc1F ZINC000903607525 923121909 /nfs/dbraw/zinc/12/19/09/923121909.db2.gz JDMSZDVZIMOYHI-IBGZPJMESA-N -1 3 381.831 3.847 20 0 GHADHM CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C[C@@](C)(O)C(=O)[O-] ZINC000903606550 923122555 /nfs/dbraw/zinc/12/25/55/923122555.db2.gz CKVCNKRTYHFKOJ-GOSISDBHSA-N -1 3 385.794 3.678 20 0 GHADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903900275 923381283 /nfs/dbraw/zinc/38/12/83/923381283.db2.gz CNGFDTIEEISFIL-DOMZBBRYSA-N -1 3 381.341 3.742 20 0 GHADHM O=C([O-])[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1Br ZINC000903917653 923398264 /nfs/dbraw/zinc/39/82/64/923398264.db2.gz YDHRKKRCAYCTMG-ZWKOPEQDSA-N -1 3 396.203 3.664 20 0 GHADHM Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c1Br ZINC000903941578 923417707 /nfs/dbraw/zinc/41/77/07/923417707.db2.gz QIYJAXUVCOMFHU-CWRNSKLLSA-N -1 3 382.298 3.602 20 0 GHADHM COc1cc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(Br)cc1C(=O)[O-] ZINC000903945187 923426385 /nfs/dbraw/zinc/42/63/85/923426385.db2.gz RHAJNUJJVQWLGK-MGPXDEMNSA-N -1 3 392.293 3.800 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2cc3c(cc2Br)OCCO3)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903949206 923431653 /nfs/dbraw/zinc/43/16/53/923431653.db2.gz KNGULDWOKZNVCK-UZTWBRENSA-N -1 3 398.297 3.540 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2cc3c(cc2Br)OCCO3)[C@H](C)[C@H]1C(=O)[O-] ZINC000903949204 923431681 /nfs/dbraw/zinc/43/16/81/923431681.db2.gz KNGULDWOKZNVCK-DRAKQNMHSA-N -1 3 398.297 3.540 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3cc(Br)ccc3[nH]2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903949309 923431712 /nfs/dbraw/zinc/43/17/12/923431712.db2.gz ADTCXZGMJPBCFW-KALYDTEFSA-N -1 3 380.286 3.645 20 0 GHADHM Cc1c2ccccc2nc(CN2CCN(c3ccccc3)[C@@H](C)C2)c1C(=O)[O-] ZINC000903957967 923437012 /nfs/dbraw/zinc/43/70/12/923437012.db2.gz SAYDVPWUNHZOAU-INIZCTEOSA-N -1 3 375.472 3.952 20 0 GHADHM Cc1cc(NC(=O)C[N-]C(=O)C(F)(F)c2ccccc2)ccc1Br ZINC000748640408 923767334 /nfs/dbraw/zinc/76/73/34/923767334.db2.gz JRQOZJMTAZRKEL-UHFFFAOYSA-N -1 3 397.219 3.604 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c(=O)[n-]1 ZINC000370600334 924198323 /nfs/dbraw/zinc/19/83/23/924198323.db2.gz WFPOCBQAVMHIJN-QGZVFWFLSA-N -1 3 380.448 3.627 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409831333 925047667 /nfs/dbraw/zinc/04/76/67/925047667.db2.gz JYZXFRBZYUMHGP-LLVKDONJSA-N -1 3 375.354 3.552 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409831333 925047674 /nfs/dbraw/zinc/04/76/74/925047674.db2.gz JYZXFRBZYUMHGP-LLVKDONJSA-N -1 3 375.354 3.552 20 0 GHADHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)c([O-])c1 ZINC000679409011 925127190 /nfs/dbraw/zinc/12/71/90/925127190.db2.gz SFPQWJIKPYAMNG-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(Cc1ccccc1)Cc1ccccc1 ZINC000410013025 925242425 /nfs/dbraw/zinc/24/24/25/925242425.db2.gz SSUBACPFGGJUGR-NRFANRHFSA-N -1 3 375.472 3.723 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)s1 ZINC000680514587 925501365 /nfs/dbraw/zinc/50/13/65/925501365.db2.gz KHAMYFOGTDSFRG-QWHCGFSZSA-N -1 3 375.874 3.739 20 0 GHADHM O=c1nc(CN2CCC[C@H](c3ccncn3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000372579708 925553940 /nfs/dbraw/zinc/55/39/40/925553940.db2.gz XMEGEQWKHDBZQX-ZDUSSCGKSA-N -1 3 393.472 3.827 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(OC)cc2)s1 ZINC000680858775 925636245 /nfs/dbraw/zinc/63/62/45/925636245.db2.gz CXVBBGKLVHNXHB-IBGZPJMESA-N -1 3 388.514 3.782 20 0 GHADHM CN1CC[C@H](CNC(=O)c2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000681062578 925712336 /nfs/dbraw/zinc/71/23/36/925712336.db2.gz IMBBNTLNFKISER-FZKQIMNGSA-N -1 3 380.822 3.747 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000466873802 925837629 /nfs/dbraw/zinc/83/76/29/925837629.db2.gz LIFYSNHRUVHFJB-UHFFFAOYSA-N -1 3 386.367 3.654 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000681759153 925901943 /nfs/dbraw/zinc/90/19/43/925901943.db2.gz MDITUHKOFULTRV-IFXJQAMLSA-N -1 3 388.464 3.641 20 0 GHADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)C1 ZINC000373443866 926131224 /nfs/dbraw/zinc/13/12/24/926131224.db2.gz ORGQLPJQPCYADD-INIZCTEOSA-N -1 3 380.488 3.656 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000682491209 926136900 /nfs/dbraw/zinc/13/69/00/926136900.db2.gz ZHPOGYWNCNHLDA-UHFFFAOYSA-N -1 3 387.860 3.922 20 0 GHADHM COc1cc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)ccc1OC1CCCC1 ZINC000411452759 926412044 /nfs/dbraw/zinc/41/20/44/926412044.db2.gz WBSCMSXUEBVNBU-UHFFFAOYSA-N -1 3 383.444 3.855 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412049089 927047102 /nfs/dbraw/zinc/04/71/02/927047102.db2.gz XTQNIHLZQPLQLM-MRXNPFEDSA-N -1 3 384.867 3.509 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(OCC2CCCC2)CC1 ZINC000412180471 927181339 /nfs/dbraw/zinc/18/13/39/927181339.db2.gz OWDKNXFSVNJSPS-UHFFFAOYSA-N -1 3 388.895 3.993 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c(=O)[n-]1 ZINC000374588550 927315706 /nfs/dbraw/zinc/31/57/06/927315706.db2.gz SMTXBDMHJBSUJI-HNNXBMFYSA-N -1 3 393.409 3.767 20 0 GHADHM CCc1cc2c(CN[C@@H](c3cnn(C)c3)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000374593346 927319650 /nfs/dbraw/zinc/31/96/50/927319650.db2.gz JAYQFFJBMRPYNP-HSZRJFAPSA-N -1 3 389.455 3.674 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c([O-])c1 ZINC000412653197 927693538 /nfs/dbraw/zinc/69/35/38/927693538.db2.gz HEWWOFAVZHVBGM-HSZRJFAPSA-N -1 3 395.455 3.821 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1[O-] ZINC000412907355 927984393 /nfs/dbraw/zinc/98/43/93/927984393.db2.gz KBBKJCGTCSNPRR-HNNXBMFYSA-N -1 3 375.465 3.569 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC000751188005 928067738 /nfs/dbraw/zinc/06/77/38/928067738.db2.gz HZSKKMFUHMLCAK-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)F)c2)ccc1F ZINC000751242729 928089204 /nfs/dbraw/zinc/08/92/04/928089204.db2.gz KNIGBICWPJEIGF-UHFFFAOYSA-N -1 3 386.395 3.702 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccc(F)cc2)c1Cl ZINC000751394966 928169905 /nfs/dbraw/zinc/16/99/05/928169905.db2.gz ZTDKHDTWPLQHNV-MEBBXXQBSA-N -1 3 392.279 3.841 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000413294583 928405644 /nfs/dbraw/zinc/40/56/44/928405644.db2.gz CYBQUJXDALFYNF-AWEZNQCLSA-N -1 3 380.460 3.575 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000544101846 928807678 /nfs/dbraw/zinc/80/76/78/928807678.db2.gz RLZVVMPDEOZZSI-MNOVXSKESA-N -1 3 382.386 3.501 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC(C)(C)C)cc2)ccc1F ZINC000752412749 928816533 /nfs/dbraw/zinc/81/65/33/928816533.db2.gz BAYSZAUPBVDJOH-UHFFFAOYSA-N -1 3 396.509 3.877 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c(=O)[n-]1 ZINC000544221030 928947181 /nfs/dbraw/zinc/94/71/81/928947181.db2.gz MAXZFSOJULFJNG-KUHUBIRLSA-N -1 3 384.480 3.908 20 0 GHADHM Cc1ncc(CNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c(=O)[n-]1 ZINC000544264349 928997156 /nfs/dbraw/zinc/99/71/56/928997156.db2.gz YTOIKQHIPCMXDA-UHFFFAOYSA-N -1 3 383.835 3.653 20 0 GHADHM CC(=O)NC1CCC(N(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000544338336 929066339 /nfs/dbraw/zinc/06/63/39/929066339.db2.gz LAHSJWNNDDXSQP-UHFFFAOYSA-N -1 3 394.515 3.697 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccncc3N3CCCC3)c2)n1 ZINC000544388838 929120280 /nfs/dbraw/zinc/12/02/80/929120280.db2.gz RDTWGOHTBXMFNM-UHFFFAOYSA-N -1 3 389.459 3.659 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC12CCC(CC1)C2 ZINC000753136541 929224094 /nfs/dbraw/zinc/22/40/94/929224094.db2.gz QRCWAQKDYUGYCC-UKAYHFCDSA-N -1 3 378.472 3.702 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000753362319 929317855 /nfs/dbraw/zinc/31/78/55/929317855.db2.gz BKIHILUXYNUHSS-UHFFFAOYSA-N -1 3 390.461 3.769 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000467717030 929332203 /nfs/dbraw/zinc/33/22/03/929332203.db2.gz XFKWFMMHCPNFME-SFHVURJKSA-N -1 3 399.397 3.587 20 0 GHADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC000754023575 929628497 /nfs/dbraw/zinc/62/84/97/929628497.db2.gz FHALCBGTAIKEQS-UHFFFAOYSA-N -1 3 395.695 3.537 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CC(OCc4ccccc4)C3)nc2)n1 ZINC000545913506 929669048 /nfs/dbraw/zinc/66/90/48/929669048.db2.gz GDNRMOIIEZJGFB-UHFFFAOYSA-N -1 3 376.460 3.966 20 0 GHADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1nnc2ccccc2c1[O-] ZINC000757606463 929741938 /nfs/dbraw/zinc/74/19/38/929741938.db2.gz QAVMWSSBFMXZEN-UHFFFAOYSA-N -1 3 383.411 3.503 20 0 GHADHM CC(C)c1nc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)no1 ZINC000757728520 929784383 /nfs/dbraw/zinc/78/43/83/929784383.db2.gz MUPMOHLSFPDNQG-UHFFFAOYSA-N -1 3 391.225 3.703 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000469405424 929853854 /nfs/dbraw/zinc/85/38/54/929853854.db2.gz HDWGECMUMIMCJR-KRWDZBQOSA-N -1 3 387.377 3.624 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c1[O-] ZINC000757919411 929854691 /nfs/dbraw/zinc/85/46/91/929854691.db2.gz LTFRHASZIVZVJN-RDJZCZTQSA-N -1 3 376.497 3.720 20 0 GHADHM O=S(=O)([N-]CC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000758268292 929997408 /nfs/dbraw/zinc/99/74/08/929997408.db2.gz YGGRIRSRMBXQFD-AWEZNQCLSA-N -1 3 396.242 3.674 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)ccc1F ZINC000546257038 929998164 /nfs/dbraw/zinc/99/81/64/929998164.db2.gz ICVQGUWNOKSOQI-UHFFFAOYSA-N -1 3 375.425 3.620 20 0 GHADHM Cc1ccc(-c2nc(Cc3noc(Cc4c(C)nc(C)[n-]c4=O)n3)cs2)cc1 ZINC000546319942 930051521 /nfs/dbraw/zinc/05/15/21/930051521.db2.gz CEUIQXBXVSKLLF-UHFFFAOYSA-N -1 3 393.472 3.796 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nc(Cl)ccc3N)nc(=O)c2c1C ZINC000758463124 930053723 /nfs/dbraw/zinc/05/37/23/930053723.db2.gz VQZDVTGIBIRBKS-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCCc3cc(F)ccc32)ccc1F ZINC000759407991 930360366 /nfs/dbraw/zinc/36/03/66/930360366.db2.gz BHLKJBXEFMMNPK-QGZVFWFLSA-N -1 3 381.400 3.571 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000470195182 930445607 /nfs/dbraw/zinc/44/56/07/930445607.db2.gz ODZZYKKOSGDJNP-UHFFFAOYSA-N -1 3 378.394 3.974 20 0 GHADHM CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000780975548 930657871 /nfs/dbraw/zinc/65/78/71/930657871.db2.gz NJKSNFSFLKUIBW-XOBRGWDASA-N -1 3 396.459 3.568 20 0 GHADHM O=C(OCc1ccc(Cl)cc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000781158578 930721141 /nfs/dbraw/zinc/72/11/41/930721141.db2.gz HIOIJUNENLVDHS-MRXNPFEDSA-N -1 3 377.799 3.533 20 0 GHADHM Cc1cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccc1N1CC[C@H](C)C1 ZINC000547196060 930787432 /nfs/dbraw/zinc/78/74/32/930787432.db2.gz TUUSBUWXRZWANZ-LBPRGKRZSA-N -1 3 379.464 3.594 20 0 GHADHM O=C(CSc1ccccc1Cl)OCc1noc(-c2ccccc2[O-])n1 ZINC000781873038 931005873 /nfs/dbraw/zinc/00/58/73/931005873.db2.gz XQVCNCWTSVWNNE-UHFFFAOYSA-N -1 3 376.821 3.931 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000547504289 931077541 /nfs/dbraw/zinc/07/75/41/931077541.db2.gz JFNYJBVXFMOLCF-CRAIPNDOSA-N -1 3 393.516 3.584 20 0 GHADHM Cc1nc(-c2ccc(N[C@H](c3nccn3C)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000557325277 931345164 /nfs/dbraw/zinc/34/51/64/931345164.db2.gz SERLVEIKYMYSES-IBGZPJMESA-N -1 3 386.459 3.796 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(C)c(Br)c2)cc1OC ZINC000783558458 931581614 /nfs/dbraw/zinc/58/16/14/931581614.db2.gz PAERLKQJKJLRJN-UHFFFAOYSA-N -1 3 394.265 3.565 20 0 GHADHM C[C@H](CO[N-]C(=O)CC1CCC(C(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC000783664571 931612337 /nfs/dbraw/zinc/61/23/37/931612337.db2.gz YNDZHPLGXHESOD-PNESKVBLSA-N -1 3 382.423 3.706 20 0 GHADHM Cc1cccc(NC(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000783680476 931615016 /nfs/dbraw/zinc/61/50/16/931615016.db2.gz UDIVRNRYERFTOM-ZHZULCJRSA-N -1 3 397.434 3.970 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000783678000 931615551 /nfs/dbraw/zinc/61/55/51/931615551.db2.gz AFGOHYUURDSSCW-YBEGLDIGSA-N -1 3 391.452 3.850 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Cl)c1Cl)c1cccnc1C(F)(F)F ZINC000557798473 931694329 /nfs/dbraw/zinc/69/43/29/931694329.db2.gz OEGGXYHMCCLAMQ-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc2C1 ZINC000783859513 931694511 /nfs/dbraw/zinc/69/45/11/931694511.db2.gz NSOBAMUMJKQXLN-FQEVSTJZSA-N -1 3 387.501 3.922 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784213556 931817967 /nfs/dbraw/zinc/81/79/67/931817967.db2.gz VNBOCBQGHBGNGE-UHFFFAOYSA-N -1 3 388.383 3.565 20 0 GHADHM COCc1nsc([N-]C(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)n1 ZINC000784478392 931908445 /nfs/dbraw/zinc/90/84/45/931908445.db2.gz BMRBOZIKBRTDCY-UHFFFAOYSA-N -1 3 399.501 3.954 20 0 GHADHM Cc1ccc(C(=O)CCCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000784732736 931992178 /nfs/dbraw/zinc/99/21/78/931992178.db2.gz IGJXQLZBBVCADT-UHFFFAOYSA-N -1 3 380.400 3.847 20 0 GHADHM Cc1cc(Br)cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000784741066 931996216 /nfs/dbraw/zinc/99/62/16/931996216.db2.gz LFOKVJAEVRRWPJ-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM O=c1[n-]c(CN[C@H](Cc2ccccc2Cl)c2ccco2)nc2c1COCC2 ZINC000926813143 932316567 /nfs/dbraw/zinc/31/65/67/932316567.db2.gz NICLJHGBAOFTFS-QGZVFWFLSA-N -1 3 385.851 3.575 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000777652036 932730805 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3.706 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001116409042 933542741 /nfs/dbraw/zinc/54/27/41/933542741.db2.gz QPGJGZYNBCJFCC-UHFFFAOYSA-N -1 3 381.388 3.520 20 0 GHADHM CC(C)(CCC(=O)Nc1cccc(O)c1F)C(=O)Nc1cccc([O-])c1F ZINC001116408585 933542798 /nfs/dbraw/zinc/54/27/98/933542798.db2.gz HATRPTISWPJRPD-UHFFFAOYSA-N -1 3 378.375 3.760 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@]3(C(F)(F)F)CCc4ccccc43)cc2o1 ZINC001116734618 933726925 /nfs/dbraw/zinc/72/69/25/933726925.db2.gz WNWGAXLZORGDEO-QGZVFWFLSA-N -1 3 396.390 3.819 20 0 GHADHM Cc1cc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc(C)c1Cl ZINC001116908820 933823036 /nfs/dbraw/zinc/82/30/36/933823036.db2.gz LLTNPIUTORKEHA-UHFFFAOYSA-N -1 3 399.875 3.789 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nnc(-c3ccccn3)o2)cc1 ZINC001117161211 933865847 /nfs/dbraw/zinc/86/58/47/933865847.db2.gz UBCKQLHWWMXIIB-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM COc1cc([O-])ccc1/C=C(\C#N)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000011298725 934071910 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O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1[O-] ZINC001120718409 934498899 /nfs/dbraw/zinc/49/88/99/934498899.db2.gz YKPZUBUOJUBLEZ-UHFFFAOYSA-N -1 3 376.787 3.982 20 0 GHADHM O=C(Nc1cccc(C2CCCCC2)c1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931988208 934792198 /nfs/dbraw/zinc/79/21/98/934792198.db2.gz JURMIGZFQCGDOD-SFHVURJKSA-N -1 3 381.480 3.630 20 0 GHADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)[N-]c2cc(F)c(F)cc2F)s1 ZINC000931997996 934795441 /nfs/dbraw/zinc/79/54/41/934795441.db2.gz ROKULZQMCAVNIO-UHFFFAOYSA-N -1 3 387.383 3.837 20 0 GHADHM CC(C)c1ccc(OC2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)cc1 ZINC000562296295 934810692 /nfs/dbraw/zinc/81/06/92/934810692.db2.gz IKXHNCDZUOYNFW-UHFFFAOYSA-N -1 3 378.476 3.955 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001122156496 934834763 /nfs/dbraw/zinc/83/47/63/934834763.db2.gz OEVJQMOTJJSKDR-SFHVURJKSA-N -1 3 392.507 3.670 20 0 GHADHM C[C@@H](CC1CCCCC1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372368 935173157 /nfs/dbraw/zinc/17/31/57/935173157.db2.gz MJSVAQDZTRWFAG-MBSDFSHPSA-N -1 3 386.536 3.829 20 0 GHADHM CCCOc1ccc(C(=O)C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)cc1 ZINC001137580426 935599743 /nfs/dbraw/zinc/59/97/43/935599743.db2.gz HTYHKBDIOVJNBK-UHFFFAOYSA-N -1 3 396.821 3.923 20 0 GHADHM C[C@@H](CO[N-]C(=O)Cc1coc2cc(Cl)ccc12)NC(=O)OC(C)(C)C ZINC001137598277 935613601 /nfs/dbraw/zinc/61/36/01/935613601.db2.gz HLXWMQRIOOZMSH-NSHDSACASA-N -1 3 382.844 3.590 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1OCCCCCO ZINC000828577734 935667578 /nfs/dbraw/zinc/66/75/78/935667578.db2.gz JPZJULFPKXJIMI-UHFFFAOYSA-N -1 3 380.444 3.630 20 0 GHADHM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001137899228 935854124 /nfs/dbraw/zinc/85/41/24/935854124.db2.gz QEGNGJNBGDKMJX-MRXNPFEDSA-N -1 3 388.345 3.589 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)[n-]n1 ZINC001137978182 935903521 /nfs/dbraw/zinc/90/35/21/935903521.db2.gz ATQWSGNMMUKXCL-UHFFFAOYSA-N -1 3 393.230 3.936 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)n[n-]1 ZINC001137978182 935903524 /nfs/dbraw/zinc/90/35/24/935903524.db2.gz ATQWSGNMMUKXCL-UHFFFAOYSA-N -1 3 393.230 3.936 20 0 GHADHM CCC1CCC(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908885526 939345678 /nfs/dbraw/zinc/34/56/78/939345678.db2.gz ZWXQNFNXPGZADC-FDHNLUJUSA-N -1 3 387.524 3.545 20 0 GHADHM Brc1ccc(CSc2ncc3ccccn32)c(-c2nnn[n-]2)c1 ZINC001573280143 946654443 /nfs/dbraw/zinc/65/44/43/946654443.db2.gz RHCYOJLJMJKVED-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1ccc(CSc2ncc3ccccn32)c(-c2nn[n-]n2)c1 ZINC001573280143 946654456 /nfs/dbraw/zinc/65/44/56/946654456.db2.gz RHCYOJLJMJKVED-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1N1CCC2(CCCCC2)CC1 ZINC001573281126 946672549 /nfs/dbraw/zinc/67/25/49/946672549.db2.gz ZVQXAGXNKDVJNH-UHFFFAOYSA-N -1 3 377.290 3.575 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1N1CCC2(CCCCC2)CC1 ZINC001573281126 946672554 /nfs/dbraw/zinc/67/25/54/946672554.db2.gz ZVQXAGXNKDVJNH-UHFFFAOYSA-N -1 3 377.290 3.575 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(Cl)c(F)cc1Cl ZINC001573553134 946883668 /nfs/dbraw/zinc/88/36/68/946883668.db2.gz VSHWWBXRGLWNNZ-UHFFFAOYSA-N -1 3 394.193 3.768 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(Cl)c(F)cc1Cl ZINC001573553134 946883678 /nfs/dbraw/zinc/88/36/78/946883678.db2.gz VSHWWBXRGLWNNZ-UHFFFAOYSA-N -1 3 394.193 3.768 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1nc(-c2cccs2)oc1C ZINC001573555234 946906917 /nfs/dbraw/zinc/90/69/17/946906917.db2.gz HKYWYSZJOCIYQF-UHFFFAOYSA-N -1 3 381.417 3.673 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1nc(-c2cccs2)oc1C ZINC001573555234 946906932 /nfs/dbraw/zinc/90/69/32/946906932.db2.gz HKYWYSZJOCIYQF-UHFFFAOYSA-N -1 3 381.417 3.673 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001573364472 947721008 /nfs/dbraw/zinc/72/10/08/947721008.db2.gz PZYKYWRJBUESKP-ZHACJKMWSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001573364472 947721012 /nfs/dbraw/zinc/72/10/12/947721012.db2.gz PZYKYWRJBUESKP-ZHACJKMWSA-N -1 3 398.264 3.980 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)CCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001574416132 948744434 /nfs/dbraw/zinc/74/44/34/948744434.db2.gz PBEKYDOVWAYMKJ-UHFFFAOYSA-N -1 3 383.883 3.958 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)CCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001574416132 948744441 /nfs/dbraw/zinc/74/44/41/948744441.db2.gz PBEKYDOVWAYMKJ-UHFFFAOYSA-N -1 3 383.883 3.958 20 0 GHADHM C[C@@H](C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC001573755331 948760855 /nfs/dbraw/zinc/76/08/55/948760855.db2.gz PFRKYKFCCZNYLV-MRVPVSSYSA-N -1 3 396.760 3.676 20 0 GHADHM C[C@@H](C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC001573755331 948760863 /nfs/dbraw/zinc/76/08/63/948760863.db2.gz PFRKYKFCCZNYLV-MRVPVSSYSA-N -1 3 396.760 3.676 20 0 GHADHM CC(C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)=C1CCC1 ZINC001573756571 948818613 /nfs/dbraw/zinc/81/86/13/948818613.db2.gz SZRRLLLUDQPCSM-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM CC(C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)=C1CCC1 ZINC001573756571 948818621 /nfs/dbraw/zinc/81/86/21/948818621.db2.gz SZRRLLLUDQPCSM-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC001575515025 949179409 /nfs/dbraw/zinc/17/94/09/949179409.db2.gz FEYDHQVZEVENOJ-MRXNPFEDSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001575515025 949179421 /nfs/dbraw/zinc/17/94/21/949179421.db2.gz FEYDHQVZEVENOJ-MRXNPFEDSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001575515116 949179445 /nfs/dbraw/zinc/17/94/45/949179445.db2.gz GFAOFHQMHAQUQO-UGSOOPFHSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001575515116 949179462 /nfs/dbraw/zinc/17/94/62/949179462.db2.gz GFAOFHQMHAQUQO-UGSOOPFHSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001575515895 949197983 /nfs/dbraw/zinc/19/79/83/949197983.db2.gz MNNOBIYQBLJCPK-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001575515895 949198000 /nfs/dbraw/zinc/19/80/00/949198000.db2.gz MNNOBIYQBLJCPK-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@@H]1C ZINC001576152666 949258827 /nfs/dbraw/zinc/25/88/27/949258827.db2.gz KDEVYEJYOQIKAF-JXXFODFXSA-N -1 3 394.523 3.738 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@@H]1C ZINC001576152666 949258847 /nfs/dbraw/zinc/25/88/47/949258847.db2.gz KDEVYEJYOQIKAF-JXXFODFXSA-N -1 3 394.523 3.738 20 0 GHADHM CC[C@]1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)OCCc2ccccc21 ZINC001589615647 949366134 /nfs/dbraw/zinc/36/61/34/949366134.db2.gz RYNPWZXIXKOXIX-FDDCHVKYSA-N -1 3 398.503 3.548 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001576157212 949477597 /nfs/dbraw/zinc/47/75/97/949477597.db2.gz ZFTLAYDSJBGHPB-WDEREUQCSA-N -1 3 398.389 3.713 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001576157212 949477615 /nfs/dbraw/zinc/47/76/15/949477615.db2.gz ZFTLAYDSJBGHPB-WDEREUQCSA-N -1 3 398.389 3.713 20 0 GHADHM CC(C)(C)C1CC(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001573825265 949869142 /nfs/dbraw/zinc/86/91/42/949869142.db2.gz OWMNXHNGQVHOJN-UHFFFAOYSA-N -1 3 393.289 3.575 20 0 GHADHM CC(C)(C)C1CC(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001573825265 949869161 /nfs/dbraw/zinc/86/91/61/949869161.db2.gz OWMNXHNGQVHOJN-UHFFFAOYSA-N -1 3 393.289 3.575 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC001589723232 950440562 /nfs/dbraw/zinc/44/05/62/950440562.db2.gz XCOFUHHMXXTFMO-LJQANCHMSA-N -1 3 385.464 3.598 20 0 GHADHM CCN(CCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1C ZINC001589734128 950515038 /nfs/dbraw/zinc/51/50/38/950515038.db2.gz QTNZEGLVEYZGTO-SFHVURJKSA-N -1 3 385.508 3.505 20 0 GHADHM C[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCc2ccccc2C1 ZINC001575614452 950533487 /nfs/dbraw/zinc/53/34/87/950533487.db2.gz CSJOIVMCVOTGAI-JOCHJYFZSA-N -1 3 384.443 3.549 20 0 GHADHM C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCc2ccccc2C1 ZINC001575614452 950533501 /nfs/dbraw/zinc/53/35/01/950533501.db2.gz CSJOIVMCVOTGAI-JOCHJYFZSA-N -1 3 384.443 3.549 20 0 GHADHM C[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCc2ccccc2C1 ZINC001575614453 950534769 /nfs/dbraw/zinc/53/47/69/950534769.db2.gz CSJOIVMCVOTGAI-QFIPXVFZSA-N -1 3 384.443 3.549 20 0 GHADHM C[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCc2ccccc2C1 ZINC001575614453 950534783 /nfs/dbraw/zinc/53/47/83/950534783.db2.gz CSJOIVMCVOTGAI-QFIPXVFZSA-N -1 3 384.443 3.549 20 0 GHADHM CC(C)(C)Oc1cccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC001573876321 950671346 /nfs/dbraw/zinc/67/13/46/950671346.db2.gz KZIZYODGZWITNN-UHFFFAOYSA-N -1 3 388.374 3.679 20 0 GHADHM CC(C)(C)Oc1cccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001573876321 950671357 /nfs/dbraw/zinc/67/13/57/950671357.db2.gz KZIZYODGZWITNN-UHFFFAOYSA-N -1 3 388.374 3.679 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1-c1nnn[n-]1 ZINC001573876998 950687230 /nfs/dbraw/zinc/68/72/30/950687230.db2.gz ZWNITVSUHQVDLE-YDHLFZDLSA-N -1 3 384.484 3.602 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1-c1nn[n-]n1 ZINC001573876998 950687243 /nfs/dbraw/zinc/68/72/43/950687243.db2.gz ZWNITVSUHQVDLE-YDHLFZDLSA-N -1 3 384.484 3.602 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3Cc4ccccc4C3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576216880 950747083 /nfs/dbraw/zinc/74/70/83/950747083.db2.gz JUPOQOFRLJSCKJ-VXGBXAGGSA-N -1 3 393.516 3.968 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3Cc4ccccc4C3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576216880 950747097 /nfs/dbraw/zinc/74/70/97/950747097.db2.gz JUPOQOFRLJSCKJ-VXGBXAGGSA-N -1 3 393.516 3.968 20 0 GHADHM CC(C)(C)c1ccc(CSCC(=O)OCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573881692 950753692 /nfs/dbraw/zinc/75/36/92/950753692.db2.gz FJAOOLGWGDKPNE-UHFFFAOYSA-N -1 3 397.504 3.536 20 0 GHADHM CC(C)(C)c1ccc(CSCC(=O)OCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573881692 950753703 /nfs/dbraw/zinc/75/37/03/950753703.db2.gz FJAOOLGWGDKPNE-UHFFFAOYSA-N -1 3 397.504 3.536 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573882065 950768747 /nfs/dbraw/zinc/76/87/47/950768747.db2.gz QHSGHAPYSLVDAV-QGZVFWFLSA-N -1 3 391.479 3.928 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573882065 950768762 /nfs/dbraw/zinc/76/87/62/950768762.db2.gz QHSGHAPYSLVDAV-QGZVFWFLSA-N -1 3 391.479 3.928 20 0 GHADHM CC(C)(C)c1cccc(CN2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001573884080 950781811 /nfs/dbraw/zinc/78/18/11/950781811.db2.gz GZLMVJQYVLSFAJ-HXUWFJFHSA-N -1 3 377.492 3.738 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)Cc3cccc(F)c3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576219838 950816313 /nfs/dbraw/zinc/81/63/13/950816313.db2.gz VGJZFGVXDJJDDH-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)Cc3cccc(F)c3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576219838 950816350 /nfs/dbraw/zinc/81/63/50/950816350.db2.gz VGJZFGVXDJJDDH-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@H]3Cc4ccccc43)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576220868 950838824 /nfs/dbraw/zinc/83/88/24/950838824.db2.gz XMECDQCXIQJAQG-GYSYKLTISA-N -1 3 379.489 3.892 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@H]3Cc4ccccc43)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576220868 950838851 /nfs/dbraw/zinc/83/88/51/950838851.db2.gz XMECDQCXIQJAQG-GYSYKLTISA-N -1 3 379.489 3.892 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001574191437 950930547 /nfs/dbraw/zinc/93/05/47/950930547.db2.gz JAJAGWKEMNZKSS-LLVKDONJSA-N -1 3 380.290 3.574 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001574191437 950930558 /nfs/dbraw/zinc/93/05/58/950930558.db2.gz JAJAGWKEMNZKSS-LLVKDONJSA-N -1 3 380.290 3.574 20 0 GHADHM CC(C)CCCCCC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574195650 951001782 /nfs/dbraw/zinc/00/17/82/951001782.db2.gz VRSPIKPKKQJWOD-UHFFFAOYSA-N -1 3 381.484 3.657 20 0 GHADHM CC(C)CCCCCC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574195650 951001801 /nfs/dbraw/zinc/00/18/01/951001801.db2.gz VRSPIKPKKQJWOD-UHFFFAOYSA-N -1 3 381.484 3.657 20 0 GHADHM O=C([O-])CN1CC[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)C1=O ZINC001595079867 951671048 /nfs/dbraw/zinc/67/10/48/951671048.db2.gz WAFHITSUOXCLJS-FUHWJXTLSA-N -1 3 398.425 3.602 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001575185362 952433217 /nfs/dbraw/zinc/43/32/17/952433217.db2.gz PYSCWNFOTZGUJQ-OAHLLOKOSA-N -1 3 395.532 3.788 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001575185362 952433220 /nfs/dbraw/zinc/43/32/20/952433220.db2.gz PYSCWNFOTZGUJQ-OAHLLOKOSA-N -1 3 395.532 3.788 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1c2ccccc2SC[C@H]1C ZINC001575187488 952440933 /nfs/dbraw/zinc/44/09/33/952440933.db2.gz CMZHGPRLJOSYES-UONOGXRCSA-N -1 3 379.489 3.573 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccccc2SC[C@H]1C ZINC001575187488 952440936 /nfs/dbraw/zinc/44/09/36/952440936.db2.gz CMZHGPRLJOSYES-UONOGXRCSA-N -1 3 379.489 3.573 20 0 GHADHM C[C@H](Cc1cccs1)N(C)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001575200996 952499164 /nfs/dbraw/zinc/49/91/64/952499164.db2.gz FSHZICRMOLOPSR-SNVBAGLBSA-N -1 3 378.299 3.758 20 0 GHADHM C[C@H](Cc1cccs1)N(C)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001575200996 952499166 /nfs/dbraw/zinc/49/91/66/952499166.db2.gz FSHZICRMOLOPSR-SNVBAGLBSA-N -1 3 378.299 3.758 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000389806195 972247664 /nfs/dbraw/zinc/24/76/64/972247664.db2.gz BZQZNUIYBUPAQV-ACJLOTCBSA-N -1 3 387.867 3.680 20 0 GHADHM COc1cccc(-c2nc(CN3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)co2)c1 ZINC001594119714 958586565 /nfs/dbraw/zinc/58/65/65/958586565.db2.gz AFXJBWBEUAERSI-VQTJNVASSA-N -1 3 378.428 3.650 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCCO[C@@H](c4ccccc4)C3)o2)C1 ZINC001605999269 973084919 /nfs/dbraw/zinc/08/49/19/973084919.db2.gz RWSOVPKUUMDOKP-AZUAARDMSA-N -1 3 384.476 3.544 20 0 GHADHM Cc1cccc([C@H](NCc2c[nH]c(C(=O)OCc3ccccc3)c2)C(=O)[O-])c1 ZINC001605328520 973184656 /nfs/dbraw/zinc/18/46/56/973184656.db2.gz BFFQZVDTBCMEOS-FQEVSTJZSA-N -1 3 378.428 3.596 20 0 GHADHM Cc1cccc(CN2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c1F ZINC001605339364 973224659 /nfs/dbraw/zinc/22/46/59/973224659.db2.gz GWMIDLXISIDWIQ-INIZCTEOSA-N -1 3 394.487 3.668 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@H]1Oc1ccccc1 ZINC001625824211 1014207500 /nfs/dbraw/zinc/20/75/00/1014207500.db2.gz XQJFKSKLNPKGJV-JFIYKMOQSA-N -1 3 397.368 3.798 20 0 GHADHM C[C@@](CCF)(NCc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C(=O)[O-] ZINC001592506359 978318942 /nfs/dbraw/zinc/31/89/42/978318942.db2.gz MEHBPGRTPMTFDB-HNNXBMFYSA-N -1 3 378.297 3.792 20 0 GHADHM C[C@@H](CN(Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC001592604746 978546863 /nfs/dbraw/zinc/54/68/63/978546863.db2.gz MJOIEPQSKBKYCW-AWEZNQCLSA-N -1 3 382.382 3.746 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1)C(=O)[O-] ZINC001592860132 979688373 /nfs/dbraw/zinc/68/83/73/979688373.db2.gz FEZDZXDRDDSSAG-OAHLLOKOSA-N -1 3 389.521 3.607 20 0 GHADHM CC[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595278211 980309455 /nfs/dbraw/zinc/30/94/55/980309455.db2.gz BJPCPJFUPATFIR-SCLBCKFNSA-N -1 3 388.439 3.991 20 0 GHADHM C[C@H](CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1cccc(Br)c1 ZINC000901788744 980520021 /nfs/dbraw/zinc/52/00/21/980520021.db2.gz VDSTYDPATCWBLA-YGRLFVJLSA-N -1 3 380.204 3.892 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccco1 ZINC001594995513 982897544 /nfs/dbraw/zinc/89/75/44/982897544.db2.gz ZOOFNFFUUOKDQN-BMIGLBTASA-N -1 3 381.379 3.507 20 0 GHADHM CCCc1c(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)[nH]c(C)c1C(=O)[O-] ZINC001596037261 983318710 /nfs/dbraw/zinc/31/87/10/983318710.db2.gz JLKUUZIVGJVAJN-GOSISDBHSA-N -1 3 397.519 3.541 20 0 GHADHM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596150830 983511261 /nfs/dbraw/zinc/51/12/61/983511261.db2.gz QLVZNFXLWZAABQ-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001596552002 984415666 /nfs/dbraw/zinc/41/56/66/984415666.db2.gz MDBBHFMJDJQPFO-SFHVURJKSA-N -1 3 398.297 3.559 20 0 GHADHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594508398 985747948 /nfs/dbraw/zinc/74/79/48/985747948.db2.gz QXJJYMNNBZJRFZ-ABAIWWIYSA-N -1 3 397.928 3.511 20 0 GHADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589359729 986359843 /nfs/dbraw/zinc/35/98/43/986359843.db2.gz XLZBFLXQVSBHKM-NRJQMVOHSA-N -1 3 398.528 3.528 20 0 GHADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589439557 986774835 /nfs/dbraw/zinc/77/48/35/986774835.db2.gz IDWGBSFXULOSJK-XDHUDOTRSA-N -1 3 388.467 3.895 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001589510525 987136514 /nfs/dbraw/zinc/13/65/14/987136514.db2.gz VHPJWLDJTNLUTG-OPAMFIHVSA-N -1 3 381.476 3.661 20 0 GHADHM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001597236059 987200974 /nfs/dbraw/zinc/20/09/74/987200974.db2.gz QLGVXSSIXMXWTG-YVEFUNNKSA-N -1 3 381.881 3.610 20 0 GHADHM CCSc1ccccc1CN1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001597279709 987344106 /nfs/dbraw/zinc/34/41/06/987344106.db2.gz JDFLNKHZAYQDCM-INIZCTEOSA-N -1 3 394.537 3.695 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)N(C)C)cc1 ZINC001597513267 988107825 /nfs/dbraw/zinc/10/78/25/988107825.db2.gz OXKWSHDNPSJZOR-SFHVURJKSA-N -1 3 387.455 3.819 20 0 GHADHM CC(C)(C)N1CCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001589824411 988287022 /nfs/dbraw/zinc/28/70/22/988287022.db2.gz DDHIBBZONXXKFM-UHFFFAOYSA-N -1 3 382.504 3.880 20 0 GHADHM CCc1oc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)cc1C(=O)[O-] ZINC001597796959 989358163 /nfs/dbraw/zinc/35/81/63/989358163.db2.gz TVPVIZFFQDHXDX-CJNGLKHVSA-N -1 3 380.485 3.665 20 0 GHADHM CCc1oc(CN[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1C(=O)[O-] ZINC001597799677 989384562 /nfs/dbraw/zinc/38/45/62/989384562.db2.gz RPLLQUXAFLHSEK-YCRPNKLZSA-N -1 3 387.476 3.955 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC001590162947 989470864 /nfs/dbraw/zinc/47/08/64/989470864.db2.gz OXBIZTCWSMGMBV-NRFANRHFSA-N -1 3 391.512 3.543 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cc(Br)ccc2OC)n1 ZINC000468266085 1015526511 /nfs/dbraw/zinc/52/65/11/1015526511.db2.gz JEHXRXYQMKZASQ-OAHLLOKOSA-N -1 3 392.297 3.853 20 0 GHADHM CN(C)[C@@H](CNC(=O)CSc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC001598170800 990704073 /nfs/dbraw/zinc/70/40/73/990704073.db2.gz SGEFHJFRRQQBRM-INIZCTEOSA-N -1 3 392.908 3.549 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001590981518 991142126 /nfs/dbraw/zinc/14/21/26/991142126.db2.gz VXAJYYUHFJYFNW-HFMPRLQTSA-N -1 3 394.515 3.518 20 0 GHADHM CC(C)[C@H](CNC(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001590983164 991158606 /nfs/dbraw/zinc/15/86/06/991158606.db2.gz ZQRARAAOZFHEGC-UNMCSNQZSA-N -1 3 396.531 3.984 20 0 GHADHM CC(C)[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccc(F)cc1 ZINC001591024415 991314455 /nfs/dbraw/zinc/31/44/55/991314455.db2.gz BUXYAAQHQVIVKD-SFHVURJKSA-N -1 3 390.480 4.000 20 0 GHADHM CN(C)c1nc(Cl)c(CNCCc2cc3ccc(C(=O)[O-])cc3o2)s1 ZINC001598352438 991451139 /nfs/dbraw/zinc/45/11/39/991451139.db2.gz KSUPZFORQSVEAL-UHFFFAOYSA-N -1 3 379.869 3.639 20 0 GHADHM CC(C)C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccs1 ZINC001591182810 991980099 /nfs/dbraw/zinc/98/00/99/991980099.db2.gz ACDXLCHQCDUBDD-UONOGXRCSA-N -1 3 378.519 3.990 20 0 GHADHM CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-])C[C@H]1CCCOC1 ZINC001598533146 992812284 /nfs/dbraw/zinc/81/22/84/992812284.db2.gz HAAFVDOUUAUSAG-GFCCVEGCSA-N -1 3 398.290 3.736 20 0 GHADHM CN(Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1(C(=O)[O-])CCCCC1 ZINC001598533636 992820446 /nfs/dbraw/zinc/82/04/46/992820446.db2.gz MTEOZJBLAJSCJB-UHFFFAOYSA-N -1 3 383.279 3.793 20 0 GHADHM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001598534575 992836217 /nfs/dbraw/zinc/83/62/17/992836217.db2.gz ZKFXAEUJVBKMOW-NRFANRHFSA-N -1 3 391.471 3.746 20 0 GHADHM COc1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1Cl ZINC001599592801 993708834 /nfs/dbraw/zinc/70/88/34/993708834.db2.gz SIUTWVGURYLTHI-GOSISDBHSA-N -1 3 390.867 3.729 20 0 GHADHM C[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC001593295449 994690613 /nfs/dbraw/zinc/69/06/13/994690613.db2.gz FEUMWHBVNOYFKP-OAHLLOKOSA-N -1 3 380.444 3.610 20 0 GHADHM C[C@H]1CC[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000468806220 1016052653 /nfs/dbraw/zinc/05/26/53/1016052653.db2.gz DFFBPZGHCUVSFL-QWRGUYRKSA-N -1 3 378.416 3.842 20 0 GHADHM CN1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000468835146 1016088294 /nfs/dbraw/zinc/08/82/94/1016088294.db2.gz DCBJXQPZJIFNRB-WIYYLYMNSA-N -1 3 392.421 3.694 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(Oc3cnccn3)cc2)C(=O)[O-])cc1Cl ZINC001599530298 997637354 /nfs/dbraw/zinc/63/73/54/997637354.db2.gz AISODTQZWKUXFW-LJQANCHMSA-N -1 3 399.834 3.846 20 0 GHADHM COCCCC1(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)CCC1 ZINC001599223980 997723723 /nfs/dbraw/zinc/72/37/23/997723723.db2.gz MDOBOFZBOXZOSU-LJQANCHMSA-N -1 3 394.943 3.680 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC001599451053 998100819 /nfs/dbraw/zinc/10/08/19/998100819.db2.gz RUWQKRRVKDSCTE-LEWJYISDSA-N -1 3 397.471 3.683 20 0 GHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@H]2Cc2cccc(Br)c2)O1 ZINC001594103302 998131576 /nfs/dbraw/zinc/13/15/76/998131576.db2.gz RPQNZLLTHLOKFC-IRXDYDNUSA-N -1 3 394.309 3.994 20 0 GHADHM Cc1cc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc(C)c1O ZINC000468900346 1016190108 /nfs/dbraw/zinc/19/01/08/1016190108.db2.gz HOXUYAUKBLLHIH-UHFFFAOYSA-N -1 3 392.459 3.844 20 0 GHADHM COc1ccc(-c2noc([C@H](C)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599472231 998469119 /nfs/dbraw/zinc/46/91/19/998469119.db2.gz WYQXQZDDODYHPI-ZOCIIQOWSA-N -1 3 393.443 3.606 20 0 GHADHM Cc1nc2ccc(-c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)cc2s1 ZINC000545743292 1016326197 /nfs/dbraw/zinc/32/61/97/1016326197.db2.gz SZPNUYHLSMWCRJ-UHFFFAOYSA-N -1 3 386.458 3.693 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCC1)c1cccnc1C(F)(F)F ZINC000557811542 1017049552 /nfs/dbraw/zinc/04/95/52/1017049552.db2.gz FBLSPWCKMAFPBN-UHFFFAOYSA-N -1 3 388.386 3.640 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3C[C@H]4[C@@H](C3)CCC[C@@H]4OCC3CC3)c2c1 ZINC001154512505 1032155002 /nfs/dbraw/zinc/15/50/02/1032155002.db2.gz FXCKYFDJFDKJNI-YWMUFLPLSA-N -1 3 396.487 3.616 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000195332771 1032215101 /nfs/dbraw/zinc/21/51/01/1032215101.db2.gz LLSRDTHBCVTJBA-CYBMUJFWSA-N -1 3 396.878 3.604 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)c([O-])c1 ZINC001154762670 1032276699 /nfs/dbraw/zinc/27/66/99/1032276699.db2.gz VYJDJGAHDLIPAN-ZDUSSCGKSA-N -1 3 390.281 3.527 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1sc2cc(F)ccc2c1Cl ZINC001154797479 1032288387 /nfs/dbraw/zinc/28/83/87/1032288387.db2.gz VBQNBFMOIIPEKT-UHFFFAOYSA-N -1 3 377.828 3.997 20 0 GHADHM C[C@H](Oc1c([O-])cc(Br)cc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001227588342 1032474829 /nfs/dbraw/zinc/47/48/29/1032474829.db2.gz RAXSSUZVODZNED-VIFPVBQESA-N -1 3 390.249 3.928 20 0 GHADHM Cc1cccc([C@H](c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)C(C)C)c1 ZINC000558392378 1017191871 /nfs/dbraw/zinc/19/18/71/1017191871.db2.gz BAHLXEOCWFJAGC-QGZVFWFLSA-N -1 3 386.477 3.599 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C4CCOCC4)C3)cc2)cc(=O)[n-]1 ZINC000929764187 1017737494 /nfs/dbraw/zinc/73/74/94/1017737494.db2.gz QTRYMHVDCYJLDC-GOSISDBHSA-N -1 3 396.491 3.828 20 0 GHADHM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000930126713 1017789756 /nfs/dbraw/zinc/78/97/56/1017789756.db2.gz PVOLURWTOYYVKF-INIZCTEOSA-N -1 3 384.867 3.949 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@H]2C=CCC2)cc1 ZINC000931625370 1018013736 /nfs/dbraw/zinc/01/37/36/1018013736.db2.gz HIOXGXYRWZPXKP-INIZCTEOSA-N -1 3 385.489 3.944 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)o1 ZINC000932187356 1018135675 /nfs/dbraw/zinc/13/56/75/1018135675.db2.gz CZQGWXSQCICAJE-ZDUSSCGKSA-N -1 3 382.489 3.767 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000562520455 1018261136 /nfs/dbraw/zinc/26/11/36/1018261136.db2.gz WALIPRYDNSRUHC-CQSZACIVSA-N -1 3 380.473 3.838 20 0 GHADHM O=c1nc(CN2CCC(O)(C3CCC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000932818515 1018689249 /nfs/dbraw/zinc/68/92/49/1018689249.db2.gz VFHWIIZHOKNJMV-UHFFFAOYSA-N -1 3 385.489 3.784 20 0 GHADHM CC(C)(C)[NH+]1CCC(Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])CC1 ZINC001228123625 1032797446 /nfs/dbraw/zinc/79/74/46/1032797446.db2.gz VILTWKZCGWUYMV-UHFFFAOYSA-N -1 3 385.460 3.676 20 0 GHADHM Cc1c2ccccc2nc(NC[C@@H](C)N2CCc3sccc3C2)c1C(=O)[O-] ZINC000564732417 1019104600 /nfs/dbraw/zinc/10/46/00/1019104600.db2.gz NWIDYZOGYXNEFS-CYBMUJFWSA-N -1 3 381.501 3.584 20 0 GHADHM COc1cccc(-c2nnc(SCc3ncccc3[O-])n2Cc2ccco2)c1 ZINC000566893607 1019260172 /nfs/dbraw/zinc/26/01/72/1019260172.db2.gz DGAFQPLSLPEYGY-UHFFFAOYSA-N -1 3 394.456 3.988 20 0 GHADHM COc1nsc(OC)c1C(=O)[N-]c1nc2c(s1)CCc1sccc1-2 ZINC001156020415 1032844317 /nfs/dbraw/zinc/84/43/17/1032844317.db2.gz MACGIDCHXFQZQF-UHFFFAOYSA-N -1 3 379.488 3.696 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000577304681 1020163075 /nfs/dbraw/zinc/16/30/75/1020163075.db2.gz NLVNCHUKVAATEF-QGZVFWFLSA-N -1 3 384.480 3.969 20 0 GHADHM O=C([O-])c1nnn(C2CCN(CCCc3ccccc3Cl)CC2)c1C(F)F ZINC000634696240 1020955967 /nfs/dbraw/zinc/95/59/67/1020955967.db2.gz PODURUGWCPIZJT-UHFFFAOYSA-N -1 3 398.841 3.837 20 0 GHADHM O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1cc(Br)ccc1[O-] ZINC000635739015 1020988217 /nfs/dbraw/zinc/98/82/17/1020988217.db2.gz ABEXIKIGUKMGOY-UHFFFAOYSA-N -1 3 386.196 3.805 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001156285376 1032958824 /nfs/dbraw/zinc/95/88/24/1032958824.db2.gz VCSSTVQKXGHRQO-GFCCVEGCSA-N -1 3 385.880 3.936 20 0 GHADHM O=C([O-])c1cc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cs1 ZINC000901430013 1021405773 /nfs/dbraw/zinc/40/57/73/1021405773.db2.gz VFFIGUBPQYDYHP-ZDUSSCGKSA-N -1 3 391.468 3.619 20 0 GHADHM COc1ccc(C[C@H](C)CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1F ZINC000901551157 1021423627 /nfs/dbraw/zinc/42/36/27/1021423627.db2.gz GYMKINOLBYRNGH-AWEZNQCLSA-N -1 3 387.451 3.778 20 0 GHADHM C[C@@H](CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000901969571 1021470262 /nfs/dbraw/zinc/47/02/62/1021470262.db2.gz LKEXVWNHQVDPTG-XDTLVQLUSA-N -1 3 380.204 3.748 20 0 GHADHM O=C([O-])c1nn(-c2ccccc2)cc1CN(CCc1cccc(F)c1)C1CC1 ZINC000902519842 1021512690 /nfs/dbraw/zinc/51/26/90/1021512690.db2.gz ZGWQWQQMWXOGBL-UHFFFAOYSA-N -1 3 379.435 3.917 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2cc(F)c(Br)cc2C1 ZINC001228627315 1033017270 /nfs/dbraw/zinc/01/72/70/1033017270.db2.gz LWKWDBRUDLWJRZ-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM O=C(N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001140567969 1021984602 /nfs/dbraw/zinc/98/46/02/1021984602.db2.gz WGRDNQUNSUYONA-SJORKVTESA-N -1 3 396.882 3.761 20 0 GHADHM O=C(N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001140567969 1021984610 /nfs/dbraw/zinc/98/46/10/1021984610.db2.gz WGRDNQUNSUYONA-SJORKVTESA-N -1 3 396.882 3.761 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698304 1033052870 /nfs/dbraw/zinc/05/28/70/1033052870.db2.gz WUJDOPSVDCWHBA-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698304 1033052879 /nfs/dbraw/zinc/05/28/79/1033052879.db2.gz WUJDOPSVDCWHBA-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1c(Br)cccc1[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698304 1033052891 /nfs/dbraw/zinc/05/28/91/1033052891.db2.gz WUJDOPSVDCWHBA-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(C(F)(F)F)c2)ccc1F ZINC000725995979 1022400188 /nfs/dbraw/zinc/40/01/88/1022400188.db2.gz PPCYWEXRLLBMGN-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3nnc(-c4cccnc4)[n-]3)CC2)cc1 ZINC001228695851 1033051042 /nfs/dbraw/zinc/05/10/42/1033051042.db2.gz RBGLSIHGRMNTEW-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3nc(-c4cccnc4)n[n-]3)CC2)cc1 ZINC001228695851 1033051054 /nfs/dbraw/zinc/05/10/54/1033051054.db2.gz RBGLSIHGRMNTEW-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3n[n-]c(-c4cccnc4)n3)CC2)cc1 ZINC001228695851 1033051062 /nfs/dbraw/zinc/05/10/62/1033051062.db2.gz RBGLSIHGRMNTEW-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001140854412 1022706428 /nfs/dbraw/zinc/70/64/28/1022706428.db2.gz SRRSYTHENPYCEG-WOJBJXKFSA-N -1 3 394.515 3.911 20 0 GHADHM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000754501181 1022742810 /nfs/dbraw/zinc/74/28/10/1022742810.db2.gz XAANAIMIDFWKDT-GFCCVEGCSA-N -1 3 386.901 3.727 20 0 GHADHM O=C1CCC2(CCN(Cc3ccc([O-])c(F)c3F)CC2)N1Cc1ccccc1 ZINC001140890302 1022809144 /nfs/dbraw/zinc/80/91/44/1022809144.db2.gz BTUBWFMYSVZXON-UHFFFAOYSA-N -1 3 386.442 3.828 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140892377 1022816133 /nfs/dbraw/zinc/81/61/33/1022816133.db2.gz KRWASAOIBKOJCE-UHFFFAOYSA-N -1 3 386.464 3.735 20 0 GHADHM CCC[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000754686790 1022831688 /nfs/dbraw/zinc/83/16/88/1022831688.db2.gz OVOYXBQSRDSUCW-HNNXBMFYSA-N -1 3 384.517 3.697 20 0 GHADHM COCC[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000755037590 1023035903 /nfs/dbraw/zinc/03/59/03/1023035903.db2.gz SCQGMMJKBKONRW-CQSZACIVSA-N -1 3 395.452 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)C1 ZINC001140987771 1023091916 /nfs/dbraw/zinc/09/19/16/1023091916.db2.gz CWSKQXFPDZMPMY-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1F ZINC001140988922 1023095030 /nfs/dbraw/zinc/09/50/30/1023095030.db2.gz QWGRXEAORJBLLQ-GHTZIAJQSA-N -1 3 390.430 3.516 20 0 GHADHM CCCCN1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277331176 1033110156 /nfs/dbraw/zinc/11/01/56/1033110156.db2.gz AWDKQGOPSKKVHA-UHFFFAOYSA-N -1 3 386.323 3.709 20 0 GHADHM COC(=O)[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(Br)c1 ZINC001228854261 1033137622 /nfs/dbraw/zinc/13/76/22/1033137622.db2.gz PTQHSYJVRHOCHL-QGZVFWFLSA-N -1 3 391.217 3.577 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228857669 1033139803 /nfs/dbraw/zinc/13/98/03/1033139803.db2.gz NGRDTUSZWNVFHN-RHSMWYFYSA-N -1 3 379.428 3.638 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC1CCC1 ZINC000756192683 1023551423 /nfs/dbraw/zinc/55/14/23/1023551423.db2.gz DPUMSSNQEICDPZ-UHFFFAOYSA-N -1 3 382.707 3.580 20 0 GHADHM COc1ccccc1/C=C\CN[C@@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000756378286 1023618762 /nfs/dbraw/zinc/61/87/62/1023618762.db2.gz CYKVMANTUWXBLR-XOYLTFLUSA-N -1 3 377.444 3.700 20 0 GHADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC1(Br)Br ZINC000830762060 1024136016 /nfs/dbraw/zinc/13/60/16/1024136016.db2.gz KBIFBEVEKFEENZ-SNVBAGLBSA-N -1 3 383.467 3.880 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)C[C@H](O)c2ccccc2Br)c1 ZINC000837154985 1024158132 /nfs/dbraw/zinc/15/81/32/1024158132.db2.gz KVFJIENVEKBGOT-KRWDZBQOSA-N -1 3 378.266 3.523 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2ccc(I)cc2[O-])cc1C ZINC001138176862 1024306444 /nfs/dbraw/zinc/30/64/44/1024306444.db2.gz WYCTWDLCUNBZMF-VIFPVBQESA-N -1 3 399.232 3.725 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1COc1ccccc1 ZINC001141257848 1024319099 /nfs/dbraw/zinc/31/90/99/1024319099.db2.gz COHOLQPKXFARRX-HNNXBMFYSA-N -1 3 376.250 3.838 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1(c2ccc(Br)cc2)CC1 ZINC000837354223 1024372526 /nfs/dbraw/zinc/37/25/26/1024372526.db2.gz NLFUMWCBHPNYQJ-UHFFFAOYSA-N -1 3 389.249 3.597 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837603227 1024578905 /nfs/dbraw/zinc/57/89/05/1024578905.db2.gz DUASMNSLAGBCDF-JTQLQIEISA-N -1 3 387.486 3.893 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1[O-] ZINC001141330151 1024581682 /nfs/dbraw/zinc/58/16/82/1024581682.db2.gz KTCHQCJZGYLCCO-UHFFFAOYSA-N -1 3 393.399 3.762 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(OC)c(F)c1 ZINC001138315825 1024641696 /nfs/dbraw/zinc/64/16/96/1024641696.db2.gz FPLHSHOREADMAG-IBGZPJMESA-N -1 3 389.423 3.698 20 0 GHADHM Cn1cc([C@H](NC(=O)c2cc3sccc3c([O-])c2)c2ccc(F)cc2)cn1 ZINC001138399086 1024777443 /nfs/dbraw/zinc/77/74/43/1024777443.db2.gz BDDCAZJJCIXSRI-LJQANCHMSA-N -1 3 381.432 3.999 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(N4CCC4)nc3)nc(=O)c2c1C ZINC000838085150 1024912829 /nfs/dbraw/zinc/91/28/29/1024912829.db2.gz HWAKFBGDNIOZOD-LLVKDONJSA-N -1 3 384.461 3.537 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001141474064 1025160770 /nfs/dbraw/zinc/16/07/70/1025160770.db2.gz QWKNNMKXJDRVMI-GOSISDBHSA-N -1 3 398.503 3.909 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3cc(OC(F)(F)F)ccc3s2)[n-]n1 ZINC001156859787 1033284027 /nfs/dbraw/zinc/28/40/27/1033284027.db2.gz GZZPMEIANMFROC-UHFFFAOYSA-N -1 3 399.350 3.952 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3cc(OC(F)(F)F)ccc3s2)n[n-]1 ZINC001156859787 1033284043 /nfs/dbraw/zinc/28/40/43/1033284043.db2.gz GZZPMEIANMFROC-UHFFFAOYSA-N -1 3 399.350 3.952 20 0 GHADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001141547445 1025475191 /nfs/dbraw/zinc/47/51/91/1025475191.db2.gz ILPIQWFPPKRQKG-HNNXBMFYSA-N -1 3 390.386 3.912 20 0 GHADHM COc1ccc(CN(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1Cl ZINC001162064995 1025581088 /nfs/dbraw/zinc/58/10/88/1025581088.db2.gz LYMKUZNMGVOWGG-UHFFFAOYSA-N -1 3 392.789 3.741 20 0 GHADHM CCC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)CC1 ZINC000839403051 1025884371 /nfs/dbraw/zinc/88/43/71/1025884371.db2.gz BJLKGEHZPSRSGH-UHFFFAOYSA-N -1 3 396.871 3.952 20 0 GHADHM Cc1c(F)c(Br)ccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885288 1025954062 /nfs/dbraw/zinc/95/40/62/1025954062.db2.gz KPEHTTFRZRAZKM-UHFFFAOYSA-N -1 3 398.232 3.827 20 0 GHADHM Cc1c(F)c(Br)ccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885288 1025954064 /nfs/dbraw/zinc/95/40/64/1025954064.db2.gz KPEHTTFRZRAZKM-UHFFFAOYSA-N -1 3 398.232 3.827 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1[O-] ZINC001141649827 1026057063 /nfs/dbraw/zinc/05/70/63/1026057063.db2.gz WZHGJYGKMCJBAE-UHFFFAOYSA-N -1 3 391.305 3.916 20 0 GHADHM O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1cc(F)cc2n[n-]nc21 ZINC001163169841 1026074169 /nfs/dbraw/zinc/07/41/69/1026074169.db2.gz PCEDRDNHTYMFES-UHFFFAOYSA-N -1 3 394.381 3.745 20 0 GHADHM C[C@H](Nc1cc(Cl)nc(C2CCC2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001163604885 1026247530 /nfs/dbraw/zinc/24/75/30/1026247530.db2.gz HBLJNBDMVATHBU-QWRGUYRKSA-N -1 3 375.860 3.573 20 0 GHADHM Cc1ccc(-n2ccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)n2)cc1 ZINC001164135119 1026429724 /nfs/dbraw/zinc/42/97/24/1026429724.db2.gz OMRPRVONBDZHJS-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)n1 ZINC001164369493 1026496451 /nfs/dbraw/zinc/49/64/51/1026496451.db2.gz NXAJYSXYBIZMQU-UHFFFAOYSA-N -1 3 378.432 3.731 20 0 GHADHM O=C(Nc1nc2c(cccc2Br)s1)c1cc2c(cc1[O-])OCO2 ZINC001140170527 1026943944 /nfs/dbraw/zinc/94/39/44/1026943944.db2.gz ZLZZOEXURIZKLD-UHFFFAOYSA-N -1 3 393.218 3.745 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001210000253 1027308110 /nfs/dbraw/zinc/30/81/10/1027308110.db2.gz MLKBPDQCRFJYMC-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM COC(=O)Nc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001141798627 1027312999 /nfs/dbraw/zinc/31/29/99/1027312999.db2.gz SYQPFMLTYJSQBZ-UHFFFAOYSA-N -1 3 392.437 3.921 20 0 GHADHM CCOC(=O)C1CCN(Cc2cccc(Nc3cccc(CC(=O)[O-])c3)c2)CC1 ZINC001210073312 1027332735 /nfs/dbraw/zinc/33/27/35/1027332735.db2.gz LSDBVKJVBDMQIS-UHFFFAOYSA-N -1 3 396.487 3.832 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cccc4cc[nH]c43)c2)ccc1O ZINC001210212983 1027386599 /nfs/dbraw/zinc/38/65/99/1027386599.db2.gz NHKQTZQUDQIGRP-UHFFFAOYSA-N -1 3 395.440 3.738 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)c1ccccc1 ZINC001210342404 1027460828 /nfs/dbraw/zinc/46/08/28/1027460828.db2.gz ZERDJZURMJVMGG-QGZVFWFLSA-N -1 3 388.514 3.785 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1F ZINC001210420022 1027499904 /nfs/dbraw/zinc/49/99/04/1027499904.db2.gz VDLLLCJQPVXFDE-YPMLDQLKSA-N -1 3 385.407 3.714 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)Oc1cccc(C(F)(F)F)c1 ZINC001210604981 1027570570 /nfs/dbraw/zinc/57/05/70/1027570570.db2.gz JBLHROXJYBXBAU-ZDUSSCGKSA-N -1 3 377.384 3.743 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)C(=O)OC(C)(C)C ZINC001210739909 1027632027 /nfs/dbraw/zinc/63/20/27/1027632027.db2.gz RWRNNDCOWBMJQW-GOSISDBHSA-N -1 3 377.506 3.626 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001142039732 1027931439 /nfs/dbraw/zinc/93/14/39/1027931439.db2.gz VAWLPWVKBOTZTP-SFHVURJKSA-N -1 3 377.448 3.753 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc([O-])cc(Br)c1 ZINC001142039556 1027931514 /nfs/dbraw/zinc/93/15/14/1027931514.db2.gz OLDFXSNUVQHAGA-UHFFFAOYSA-N -1 3 376.254 3.792 20 0 GHADHM CCC(CC)c1nnc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC001142059121 1027975838 /nfs/dbraw/zinc/97/58/38/1027975838.db2.gz AQRZQRJQNPQNSD-UHFFFAOYSA-N -1 3 378.404 3.814 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1(F)F ZINC001213148619 1028016784 /nfs/dbraw/zinc/01/67/84/1028016784.db2.gz YGNNUUCDAAWDSN-MRXNPFEDSA-N -1 3 386.395 3.727 20 0 GHADHM O=c1cc(-c2nc(-c3cc(F)ccc3Br)no2)nc(C2CC2)[n-]1 ZINC001213259092 1028074640 /nfs/dbraw/zinc/07/46/40/1028074640.db2.gz NSCZHYWZFIOAMO-UHFFFAOYSA-N -1 3 377.173 3.678 20 0 GHADHM O=c1cc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)nc(C2CC2)[n-]1 ZINC001213261065 1028075040 /nfs/dbraw/zinc/07/50/40/1028075040.db2.gz CSBMIRIGYKOFFJ-UHFFFAOYSA-N -1 3 387.399 3.751 20 0 GHADHM Cn1cc([C@@H]2COC3(C2)CCN(Cc2c(Cl)cc([O-])cc2Cl)CC3)cn1 ZINC001142109598 1028132655 /nfs/dbraw/zinc/13/26/55/1028132655.db2.gz WGKFYCYJJYVIIF-ZDUSSCGKSA-N -1 3 396.318 3.971 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC001213679225 1028324420 /nfs/dbraw/zinc/32/44/20/1028324420.db2.gz AJJDTSQYZNULDV-INIZCTEOSA-N -1 3 379.428 3.998 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(Cl)c(Cl)c1 ZINC001213677476 1028324548 /nfs/dbraw/zinc/32/45/48/1028324548.db2.gz NQLQIXKEQMARKE-DZGCQCFKSA-N -1 3 376.236 3.744 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(-n4cc(Br)cn4)cc3)no2)n1 ZINC001213699603 1028339612 /nfs/dbraw/zinc/33/96/12/1028339612.db2.gz RUZQBHXHORZBEL-UHFFFAOYSA-N -1 3 398.220 3.761 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCS1 ZINC001213863767 1028416990 /nfs/dbraw/zinc/41/69/90/1028416990.db2.gz MAKQJNTWCFWMBO-JTQLQIEISA-N -1 3 382.320 3.541 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)c(F)c3F)no2)[n-]1 ZINC001213977055 1028484971 /nfs/dbraw/zinc/48/49/71/1028484971.db2.gz JSCFLFDTHYDVJN-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nccs2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001214321503 1028671510 /nfs/dbraw/zinc/67/15/10/1028671510.db2.gz MIGCVVSMAQGMQN-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(Cl)ccc1OCOC)OCC ZINC001214418475 1028725312 /nfs/dbraw/zinc/72/53/12/1028725312.db2.gz CUXRTVRMKQDZSZ-UHFFFAOYSA-N -1 3 397.859 3.504 20 0 GHADHM [O-]c1ccc(Cl)c(Nc2ncc(I)nc2Cl)c1F ZINC001214556502 1028785032 /nfs/dbraw/zinc/78/50/32/1028785032.db2.gz UVHPKAAEBKSCFM-UHFFFAOYSA-N -1 3 399.978 3.976 20 0 GHADHM CCOC(=O)c1cnn(-c2cc(Nc3c(Cl)ccc([O-])c3F)ccn2)c1 ZINC001214556091 1028791539 /nfs/dbraw/zinc/79/15/39/1028791539.db2.gz JYYKQMHYACEBRY-UHFFFAOYSA-N -1 3 376.775 3.686 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(OC)c3Br)no2)c1 ZINC001215155480 1029065581 /nfs/dbraw/zinc/06/55/81/1029065581.db2.gz SCCLYFOQTYRCNN-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1cc(-c2nc(-c3ccc4c(c3)OC(C)(C)CC4=O)no2)cc(OC)c1[O-] ZINC001215208072 1029090743 /nfs/dbraw/zinc/09/07/43/1029090743.db2.gz GEVJRZOUIJOYFA-UHFFFAOYSA-N -1 3 396.399 3.870 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001215302062 1029139283 /nfs/dbraw/zinc/13/92/83/1029139283.db2.gz PMNYVQZNUNODQN-OAHLLOKOSA-N -1 3 378.363 3.686 20 0 GHADHM Cc1nc2cc(-c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)ccc2s1 ZINC001215447845 1029213826 /nfs/dbraw/zinc/21/38/26/1029213826.db2.gz HQHNWAKPVYHOTH-UHFFFAOYSA-N -1 3 386.458 3.693 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1[n-]nc2cc(C)n(C)c(=O)c21 ZINC001142821427 1029530746 /nfs/dbraw/zinc/53/07/46/1029530746.db2.gz HTTGPRYETWJMDY-UHFFFAOYSA-N -1 3 380.473 3.962 20 0 GHADHM Cc1cc(Br)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001142906010 1029667379 /nfs/dbraw/zinc/66/73/79/1029667379.db2.gz YVJBMHWQXXXCFX-UHFFFAOYSA-N -1 3 380.242 3.688 20 0 GHADHM Cc1cc(Br)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001142906010 1029667385 /nfs/dbraw/zinc/66/73/85/1029667385.db2.gz YVJBMHWQXXXCFX-UHFFFAOYSA-N -1 3 380.242 3.688 20 0 GHADHM CCOc1cc(Br)ccc1-c1noc(-c2c([O-])cc(O)cc2O)n1 ZINC001216728804 1029907069 /nfs/dbraw/zinc/90/70/69/1029907069.db2.gz NRFZUWJGSAPVHG-UHFFFAOYSA-N -1 3 393.193 3.682 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Nc3ccccc3Cl)CC2)c1 ZINC001143282163 1029986718 /nfs/dbraw/zinc/98/67/18/1029986718.db2.gz XFYSCICXQNFFNC-UHFFFAOYSA-N -1 3 399.878 3.887 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001216959843 1030032492 /nfs/dbraw/zinc/03/24/92/1030032492.db2.gz XMMLSIAFJYJUJT-UHFFFAOYSA-N -1 3 383.791 3.682 20 0 GHADHM Cc1cc(F)c(F)cc1-c1noc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC001217017815 1030094127 /nfs/dbraw/zinc/09/41/27/1030094127.db2.gz FFVITSQHUUEROX-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM Cc1cc(-c2noc(-c3cc([O-])cc(I)c3)n2)cc(C)n1 ZINC001217065335 1030138619 /nfs/dbraw/zinc/13/86/19/1030138619.db2.gz FEINTTPZDDSJMO-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc3cccc(O)c3cc2[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001149645295 1030252113 /nfs/dbraw/zinc/25/21/13/1030252113.db2.gz NCJTUWMUMIMDOL-SJORKVTESA-N -1 3 390.483 3.986 20 0 GHADHM Clc1ccc2[n-]c(-c3nc(-c4ccc(CN5CCOCC5)cc4)no3)nc2c1 ZINC001217256972 1030261836 /nfs/dbraw/zinc/26/18/36/1030261836.db2.gz KOJMWJFFWWXBAI-UHFFFAOYSA-N -1 3 395.850 3.766 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC001217296880 1030289993 /nfs/dbraw/zinc/28/99/93/1030289993.db2.gz DQKKTTQALARAIP-UHFFFAOYSA-N -1 3 387.399 3.948 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Nc2cccnc2)cc1 ZINC001149788875 1030305331 /nfs/dbraw/zinc/30/53/31/1030305331.db2.gz FXSSIRPZZBEADD-UHFFFAOYSA-N -1 3 375.432 3.518 20 0 GHADHM C[C@H](CC1CCC1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001149932481 1030352439 /nfs/dbraw/zinc/35/24/39/1030352439.db2.gz RMBZZGKWMGPLFP-IERDGZPVSA-N -1 3 380.488 3.948 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc(Cl)cc2OC)no1 ZINC001217470824 1030419605 /nfs/dbraw/zinc/41/96/05/1030419605.db2.gz HNQMZWVQPMMDGF-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc(Cl)cc4OC)no3)n[n-]c21 ZINC001217470824 1030419612 /nfs/dbraw/zinc/41/96/12/1030419612.db2.gz HNQMZWVQPMMDGF-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cn2c3c(cc(F)cc3c1=O)CC[C@@H]2C ZINC001150156887 1030432296 /nfs/dbraw/zinc/43/22/96/1030432296.db2.gz WTGYRCQTSQPOEC-NSHDSACASA-N -1 3 394.402 3.808 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(-n5ccnc5)cc4)no3)c2c1 ZINC001217499499 1030442590 /nfs/dbraw/zinc/44/25/90/1030442590.db2.gz IWRNFHLVVWERPI-UHFFFAOYSA-N -1 3 385.383 3.852 20 0 GHADHM Cc1c(Cl)cccc1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001150207576 1030451169 /nfs/dbraw/zinc/45/11/69/1030451169.db2.gz PPAVWFODXLEOSR-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(Cl)cccc1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001150207576 1030451174 /nfs/dbraw/zinc/45/11/74/1030451174.db2.gz PPAVWFODXLEOSR-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc5c(c4)C(=O)CCC5)no3)c21 ZINC001217511985 1030454631 /nfs/dbraw/zinc/45/46/31/1030454631.db2.gz IODZRBKCSSUNDZ-UHFFFAOYSA-N -1 3 388.383 3.586 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccccc4OC(C)C)no3)c21 ZINC001217513427 1030455824 /nfs/dbraw/zinc/45/58/24/1030455824.db2.gz ZDYHYORCQBWLLT-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)nc1 ZINC001150477149 1030538950 /nfs/dbraw/zinc/53/89/50/1030538950.db2.gz QECLMQOWZMVHIW-NSHDSACASA-N -1 3 375.350 3.741 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3Cc4ccncc4[C@H]3C)nc21 ZINC001223401393 1030554715 /nfs/dbraw/zinc/55/47/15/1030554715.db2.gz AATCYONTOOCWSO-RSXSOOJNSA-N -1 3 389.814 3.808 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3Cc4ccncc4[C@H]3C)[n-]c21 ZINC001223401393 1030554718 /nfs/dbraw/zinc/55/47/18/1030554718.db2.gz AATCYONTOOCWSO-RSXSOOJNSA-N -1 3 389.814 3.808 20 0 GHADHM O=C([N-]Cc1ccncc1Br)C(F)(F)c1ccc(Cl)cc1 ZINC001151249740 1030827852 /nfs/dbraw/zinc/82/78/52/1030827852.db2.gz UQTIXXAVNIRHGC-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccco1)Cc1cccnc1 ZINC001151274942 1030838640 /nfs/dbraw/zinc/83/86/40/1030838640.db2.gz RLDZDPJXQYEILF-UHFFFAOYSA-N -1 3 387.233 3.985 20 0 GHADHM O=c1c(O[C@@H]2CC[NH2+]C3(CCC3)C2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218309613 1030883612 /nfs/dbraw/zinc/88/36/12/1030883612.db2.gz UCPRKWIPSKGOAJ-MRXNPFEDSA-N -1 3 393.439 3.925 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccc2c(=O)[nH]ccc12 ZINC001151373183 1030884273 /nfs/dbraw/zinc/88/42/73/1030884273.db2.gz QSUDYLOLLYSMID-UHFFFAOYSA-N -1 3 375.384 3.851 20 0 GHADHM CC(C)(CO)[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001151547126 1030939440 /nfs/dbraw/zinc/93/94/40/1030939440.db2.gz YNBVIFZUKISXGD-QGZVFWFLSA-N -1 3 398.890 3.714 20 0 GHADHM CCC1(CC)[C@H](N(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H]1OC ZINC001151785200 1030998814 /nfs/dbraw/zinc/99/88/14/1030998814.db2.gz FEUPQHBLNJDPLM-CVEARBPZSA-N -1 3 376.884 3.847 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152459651 1031249977 /nfs/dbraw/zinc/24/99/77/1031249977.db2.gz FBZWEIPPJRYZCA-HNNXBMFYSA-N -1 3 389.455 3.834 20 0 GHADHM CC(C)(Oc1ccc2c([O-])coc2c1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001225343272 1031357103 /nfs/dbraw/zinc/35/71/03/1031357103.db2.gz STVQUBODCJTMIB-IBGZPJMESA-N -1 3 378.380 3.529 20 0 GHADHM Cc1cc([O-])c(I)c(O[C@@H]2COCc3ccccc32)c1 ZINC001225511869 1031447469 /nfs/dbraw/zinc/44/74/69/1031447469.db2.gz WSDRRQSKTKPUIZ-OAHLLOKOSA-N -1 3 382.197 3.956 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)C2 ZINC001225580318 1031489094 /nfs/dbraw/zinc/48/90/94/1031489094.db2.gz XIWKSJDEHDUXNC-URLYPYJESA-N -1 3 389.374 3.510 20 0 GHADHM CC(C)CCOC(=O)[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225578260 1031489373 /nfs/dbraw/zinc/48/93/73/1031489373.db2.gz CSSJPCJSUBCPEA-AWEZNQCLSA-N -1 3 384.354 3.910 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225854598 1031654188 /nfs/dbraw/zinc/65/41/88/1031654188.db2.gz WPJOFHZPFIDITI-JTQLQIEISA-N -1 3 391.415 3.562 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001219941997 1031708565 /nfs/dbraw/zinc/70/85/65/1031708565.db2.gz ASJRSEZJYHDILM-HNNXBMFYSA-N -1 3 399.344 3.517 20 0 GHADHM CC(CNC(=O)c1cnc2cccnc2c1[O-])(c1ccccc1)c1ccccc1 ZINC001153859961 1031777674 /nfs/dbraw/zinc/77/76/74/1031777674.db2.gz CWSJLOIHTDIXSF-UHFFFAOYSA-N -1 3 383.451 3.659 20 0 GHADHM O=C(c1c[n-]c2cc(Br)ccc2c1=O)N1CCC[C@@H]1c1ccccn1 ZINC001153876733 1031788027 /nfs/dbraw/zinc/78/80/27/1031788027.db2.gz FSOVEWPDAMHJIX-QGZVFWFLSA-N -1 3 398.260 3.663 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC001154026764 1031884243 /nfs/dbraw/zinc/88/42/43/1031884243.db2.gz PFUVUDWUHOHIOL-UHFFFAOYSA-N -1 3 387.439 3.695 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N(Cc1cccnc1)Cc1ccccn1 ZINC001154027041 1031884675 /nfs/dbraw/zinc/88/46/75/1031884675.db2.gz XHZIVVURZIAATH-UHFFFAOYSA-N -1 3 385.423 3.884 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cc(O)ccc1Cl ZINC001154104932 1031929913 /nfs/dbraw/zinc/92/99/13/1031929913.db2.gz XTCKOLWKQSUDKP-UHFFFAOYSA-N -1 3 389.576 3.608 20 0 GHADHM CCN(C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001154110642 1031933304 /nfs/dbraw/zinc/93/33/04/1031933304.db2.gz IYPFJANCSREELU-OAHLLOKOSA-N -1 3 394.471 3.639 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc(-c4cccc(F)c4)ccn3)[n-]nc21 ZINC001154141794 1031949424 /nfs/dbraw/zinc/94/94/24/1031949424.db2.gz LYHATBYIHSGSFN-UHFFFAOYSA-N -1 3 390.374 3.803 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc(-c4cccc(F)c4)ccn3)n[n-]c21 ZINC001154141794 1031949427 /nfs/dbraw/zinc/94/94/27/1031949427.db2.gz LYHATBYIHSGSFN-UHFFFAOYSA-N -1 3 390.374 3.803 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3c(Cl)ccc4ncccc43)[n-]nc21 ZINC001154147278 1031951179 /nfs/dbraw/zinc/95/11/79/1031951179.db2.gz SGBNZXHNVIJDMH-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3c(Cl)ccc4ncccc43)n[n-]c21 ZINC001154147278 1031951184 /nfs/dbraw/zinc/95/11/84/1031951184.db2.gz SGBNZXHNVIJDMH-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc4sc(Cl)nc4c3)[n-]nc21 ZINC001154147339 1031951417 /nfs/dbraw/zinc/95/14/17/1031951417.db2.gz UOEHXNILPWVWRW-UHFFFAOYSA-N -1 3 386.820 3.865 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc4sc(Cl)nc4c3)n[n-]c21 ZINC001154147339 1031951424 /nfs/dbraw/zinc/95/14/24/1031951424.db2.gz UOEHXNILPWVWRW-UHFFFAOYSA-N -1 3 386.820 3.865 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CC[C@H](N(C)C(=O)OC(C)(C)C)CC2)c1O ZINC001226478988 1031974182 /nfs/dbraw/zinc/97/41/82/1031974182.db2.gz LZHWCZRAKHXZTK-HDJSIYSDSA-N -1 3 379.453 3.857 20 0 GHADHM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1c([O-])ccc(C(C)=O)c1O ZINC001226482435 1031975436 /nfs/dbraw/zinc/97/54/36/1031975436.db2.gz NEUKFGBQSUFDSU-DZGCQCFKSA-N -1 3 379.453 3.859 20 0 GHADHM CO[C@H](C)CO[C@H](C)COc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492583 1031982238 /nfs/dbraw/zinc/98/22/38/1031982238.db2.gz ZCHWEWDXEBAOBG-HUUCEWRRSA-N -1 3 384.428 3.984 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3F)cc12 ZINC001226533155 1031998783 /nfs/dbraw/zinc/99/87/83/1031998783.db2.gz AXMJRDAOWOAGHS-GUYCJALGSA-N -1 3 393.411 3.533 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cc12 ZINC001226535205 1032000115 /nfs/dbraw/zinc/00/01/15/1032000115.db2.gz QESKUGITXJYFKO-HIFRSBDPSA-N -1 3 393.411 3.533 20 0 GHADHM O=c1ccc2ccc([O-])c(O[C@@H]3CCN(Cc4ccccc4)CC3(F)F)c2o1 ZINC001226598269 1032033269 /nfs/dbraw/zinc/03/32/69/1032033269.db2.gz CLKKHNHWQKDKHG-QGZVFWFLSA-N -1 3 387.382 3.787 20 0 GHADHM O=C(Nc1cc2[nH]ccc2cc1Br)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154318553 1032039722 /nfs/dbraw/zinc/03/97/22/1032039722.db2.gz JDYRNQJOVIQNNY-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM O=C(Nc1cc2[nH]ccc2cc1Br)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154318553 1032039751 /nfs/dbraw/zinc/03/97/51/1032039751.db2.gz JDYRNQJOVIQNNY-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM COc1ccc(-c2c3ccccc3[nH]c2C(=O)NCCc2c(C)[n-][nH]c2=O)cc1 ZINC001156962962 1033342594 /nfs/dbraw/zinc/34/25/94/1033342594.db2.gz FFLHNHRECHZDSK-UHFFFAOYSA-N -1 3 390.443 3.553 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1ccccc1OC(F)(F)F ZINC001229337909 1033423537 /nfs/dbraw/zinc/42/35/37/1033423537.db2.gz NUBAAUFYJFQTHU-JTQLQIEISA-N -1 3 380.326 3.914 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1ccccc1OC(F)(F)F ZINC001229337909 1033423543 /nfs/dbraw/zinc/42/35/43/1033423543.db2.gz NUBAAUFYJFQTHU-JTQLQIEISA-N -1 3 380.326 3.914 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H]1CCc2c1cccc2Br ZINC001229338076 1033423605 /nfs/dbraw/zinc/42/36/05/1033423605.db2.gz SQUPZJADWVYNLM-AWEZNQCLSA-N -1 3 387.237 3.704 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H]1CCc2c1cccc2Br ZINC001229338076 1033423609 /nfs/dbraw/zinc/42/36/09/1033423609.db2.gz SQUPZJADWVYNLM-AWEZNQCLSA-N -1 3 387.237 3.704 20 0 GHADHM CC/C(=C/C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001157223700 1033480288 /nfs/dbraw/zinc/48/02/88/1033480288.db2.gz ZBFWOHRXLPZOBT-LJSFPGAPSA-N -1 3 381.476 3.669 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233370 1033485642 /nfs/dbraw/zinc/48/56/42/1033485642.db2.gz JJLFJPYTMXPXSJ-MRVPVSSYSA-N -1 3 394.319 3.997 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1Oc1ccncc1 ZINC001157234498 1033487296 /nfs/dbraw/zinc/48/72/96/1033487296.db2.gz QSLWQZDXQKAVLA-NSHDSACASA-N -1 3 391.353 3.810 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1nc(Cc2ccccc2)no1 ZINC001205650717 1033512247 /nfs/dbraw/zinc/51/22/47/1033512247.db2.gz SEFAYBXQGHJVJH-GFCCVEGCSA-N -1 3 388.265 3.979 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(=S)[n-]c3sccc32)[C@H](F)C1 ZINC001229564533 1033560694 /nfs/dbraw/zinc/56/06/94/1033560694.db2.gz FYAINPYZOHYTFN-MNOVXSKESA-N -1 3 385.486 3.706 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c(Cl)c1 ZINC001206061051 1033704734 /nfs/dbraw/zinc/70/47/34/1033704734.db2.gz ZHDDWUQMAUUYNJ-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206064851 1033706490 /nfs/dbraw/zinc/70/64/90/1033706490.db2.gz QKLVGFWPXDEVTO-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM O=C(Nc1cccc2c(Br)ccnc12)c1cc(F)cc2n[n-]nc21 ZINC001158178421 1033954333 /nfs/dbraw/zinc/95/43/33/1033954333.db2.gz QBNAIZGODSWQIK-UHFFFAOYSA-N -1 3 386.184 3.660 20 0 GHADHM COC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001158237917 1033979723 /nfs/dbraw/zinc/97/97/23/1033979723.db2.gz BZDLDPAWJJMLPW-UHFFFAOYSA-N -1 3 381.837 3.572 20 0 GHADHM CCCn1c(C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])cc2ccccc21 ZINC001158238887 1033981468 /nfs/dbraw/zinc/98/14/68/1033981468.db2.gz KEMNEHGVJMLEBW-UHFFFAOYSA-N -1 3 382.416 3.804 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)cc1 ZINC001158345246 1034037197 /nfs/dbraw/zinc/03/71/97/1034037197.db2.gz LQXQWJMBUUXGFE-UHFFFAOYSA-N -1 3 381.407 3.822 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)cc1 ZINC001158345246 1034037211 /nfs/dbraw/zinc/03/72/11/1034037211.db2.gz LQXQWJMBUUXGFE-UHFFFAOYSA-N -1 3 381.407 3.822 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](c1ccccc1)c1ccccc1Cl ZINC001230502223 1034093652 /nfs/dbraw/zinc/09/36/52/1034093652.db2.gz XLVWANFJTYNGHB-SFHVURJKSA-N -1 3 384.819 3.720 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001231087500 1034388603 /nfs/dbraw/zinc/38/86/03/1034388603.db2.gz JMMFDOBLTCIYLC-HDJSIYSDSA-N -1 3 377.824 3.744 20 0 GHADHM COc1c(Br)ccc(C)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063000 1034407604 /nfs/dbraw/zinc/40/76/04/1034407604.db2.gz DMELMAZVGAISHZ-UHFFFAOYSA-N -1 3 376.210 3.600 20 0 GHADHM CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063380 1034407801 /nfs/dbraw/zinc/40/78/01/1034407801.db2.gz LKEHCPQAWFGBMW-HXUWFJFHSA-N -1 3 390.484 3.784 20 0 GHADHM Oc1nc2nc[nH]c2c([N-]C(F)(F)c2cc(Cl)c(Cl)nc2Cl)n1 ZINC001159199470 1034478286 /nfs/dbraw/zinc/47/82/86/1034478286.db2.gz LSLRHPMMYBCLMN-UHFFFAOYSA-N -1 3 381.557 3.575 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC001231522054 1034672046 /nfs/dbraw/zinc/67/20/46/1034672046.db2.gz CCGOYFMVFNGWLN-DZGCQCFKSA-N -1 3 386.414 3.852 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523662 1034675295 /nfs/dbraw/zinc/67/52/95/1034675295.db2.gz UTUVYZLRKOMDPY-UHFFFAOYSA-N -1 3 386.414 3.996 20 0 GHADHM O=C(NC1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1)c1ccccc1F ZINC001231528035 1034680643 /nfs/dbraw/zinc/68/06/43/1034680643.db2.gz XPPCKUHUPKHYQA-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM CCOC(=O)c1nc2c(s1)CN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001231527112 1034680687 /nfs/dbraw/zinc/68/06/87/1034680687.db2.gz YCLCORUNGRDSMF-UHFFFAOYSA-N -1 3 386.395 3.603 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 ZINC001208031413 1034710929 /nfs/dbraw/zinc/71/09/29/1034710929.db2.gz DQYLSGRTCHJXJT-UHFFFAOYSA-N -1 3 394.905 3.821 20 0 GHADHM [O-]c1cc(CN2CCC3(CC2)COCCN(c2nccs2)C3)ccc1Cl ZINC001231731007 1034867256 /nfs/dbraw/zinc/86/72/56/1034867256.db2.gz MLUMKUZGGVNMLL-UHFFFAOYSA-N -1 3 393.940 3.621 20 0 GHADHM Cc1cccc(CO[C@H]2CO[C@@]3(CCN(Cc4ccc(Cl)c([O-])c4)C3)C2)n1 ZINC001231738572 1034872212 /nfs/dbraw/zinc/87/22/12/1034872212.db2.gz RBNLLGRQMPXQLF-NQIIRXRSSA-N -1 3 388.895 3.699 20 0 GHADHM CC(=O)c1cccc(NC(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC001160320567 1034939505 /nfs/dbraw/zinc/93/95/05/1034939505.db2.gz AYRHWLNYRMQANG-UONOGXRCSA-N -1 3 376.453 3.617 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001160355623 1034953717 /nfs/dbraw/zinc/95/37/17/1034953717.db2.gz SCAWCVUICXRUBA-GFCCVEGCSA-N -1 3 395.272 3.544 20 0 GHADHM O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001160404347 1034965119 /nfs/dbraw/zinc/96/51/19/1034965119.db2.gz HRYKKXUUPMQTAP-UHFFFAOYSA-N -1 3 399.450 3.756 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC001208641706 1034965421 /nfs/dbraw/zinc/96/54/21/1034965421.db2.gz WSKDQCBZZIGEJK-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCCc3cc(=O)[nH][n-]3)c2c1 ZINC001160454955 1034979786 /nfs/dbraw/zinc/97/97/86/1034979786.db2.gz YBHQTCPSDMDLJA-UHFFFAOYSA-N -1 3 392.484 3.658 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1N1CCCC1 ZINC001208923686 1035090900 /nfs/dbraw/zinc/09/09/00/1035090900.db2.gz MJIBZNNOGPIGJR-NSHDSACASA-N -1 3 382.390 3.615 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160953844 1035104562 /nfs/dbraw/zinc/10/45/62/1035104562.db2.gz CSVXWAMGPUDGSH-UHFFFAOYSA-N -1 3 389.381 3.771 20 0 GHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160953844 1035104569 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20 0 GHADHM O=C(NCc1nc(-c2ccc(C(=O)c3ccccc3)cc2)no1)c1ccccc1[O-] ZINC001248499895 1035917453 /nfs/dbraw/zinc/91/74/53/1035917453.db2.gz SJUXXNKZBZQOMF-UHFFFAOYSA-N -1 3 399.406 3.603 20 0 GHADHM CN1CCC(Oc2ccnc(-c3ccc(C(=O)[O-])c(C(F)(F)F)c3)c2)CC1 ZINC001243154690 1036048138 /nfs/dbraw/zinc/04/81/38/1036048138.db2.gz BDFABWJZJBNFTI-UHFFFAOYSA-N -1 3 380.366 3.939 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(-c2ccc3[n-]c(C(=O)OC)nc3n2)c1 ZINC001244218873 1036436480 /nfs/dbraw/zinc/43/64/80/1036436480.db2.gz RHWIACHRYQTSBS-UHFFFAOYSA-N -1 3 380.448 3.674 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(-c2ccc3nc(C(=O)OC)nc-3[n-]2)c1 ZINC001244218873 1036436496 /nfs/dbraw/zinc/43/64/96/1036436496.db2.gz RHWIACHRYQTSBS-UHFFFAOYSA-N -1 3 380.448 3.674 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(-c2ccc3nc(C(=O)OC)[n-]c3n2)c1 ZINC001244218873 1036436505 /nfs/dbraw/zinc/43/65/05/1036436505.db2.gz RHWIACHRYQTSBS-UHFFFAOYSA-N -1 3 380.448 3.674 20 0 GHADHM O=C1NCCc2[nH]c(-c3ccnc(-c4cc(OC(F)(F)F)ccc4[O-])c3)cc21 ZINC001244456463 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O=S(=O)([N-]c1cc(Br)ncc1F)c1cccc(C(F)(F)F)c1 ZINC001254213654 1040068520 /nfs/dbraw/zinc/06/85/20/1040068520.db2.gz QGJMOWUIPKVORY-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)c1 ZINC001254365930 1040194974 /nfs/dbraw/zinc/19/49/74/1040194974.db2.gz RUUSEUBFNXHFCH-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1C(C)=O ZINC001234791319 1040321136 /nfs/dbraw/zinc/32/11/36/1040321136.db2.gz MVAPJBDZLYUYCQ-SJKOYZFVSA-N -1 3 393.480 3.936 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ncc1F)c1ccc(F)c(Cl)c1 ZINC001254881046 1040631225 /nfs/dbraw/zinc/63/12/25/1040631225.db2.gz UNQNYEYYICPWSF-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)cc1 ZINC001255084733 1040772309 /nfs/dbraw/zinc/77/23/09/1040772309.db2.gz DJPRGCVIPQNDRQ-UHFFFAOYSA-N -1 3 380.510 3.742 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(F)c(F)c1 ZINC000640290733 1041066127 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CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259369433 1045104776 /nfs/dbraw/zinc/10/47/76/1045104776.db2.gz CBIJRGPTOZJFQU-UHFFFAOYSA-N -1 3 399.472 3.628 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cnc4ccccc4c3Cl)cc2o1 ZINC001259378275 1045111374 /nfs/dbraw/zinc/11/13/74/1045111374.db2.gz RVPCVEWLUZQFMH-UHFFFAOYSA-N -1 3 375.793 3.536 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2ncccn2)cc1)c1ccc(OC(F)F)cc1 ZINC001259430902 1045147325 /nfs/dbraw/zinc/14/73/25/1045147325.db2.gz KIJQZYGVFQXOBO-UHFFFAOYSA-N -1 3 393.371 3.671 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2CCOCC2)cc1)c1ccc(OC(F)F)cc1 ZINC001259431237 1045148600 /nfs/dbraw/zinc/14/86/00/1045148600.db2.gz AVNWNXUKNOXXRU-UHFFFAOYSA-N -1 3 399.415 3.647 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc2ccccc21)c1cccc(Cl)c1F ZINC001259473824 1045185729 /nfs/dbraw/zinc/18/57/29/1045185729.db2.gz MULTYXLLDYIMDX-MRXNPFEDSA-N -1 3 379.840 3.644 20 0 GHADHM O=S(=O)([N-]CCc1cc(Br)cs1)c1cccc(Cl)c1F ZINC001259473838 1045185909 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GHADHM CCCCCC[C@](CC)([N-]S(=O)(=O)CCC(F)(F)F)C(=O)OCC ZINC001259877437 1045327915 /nfs/dbraw/zinc/32/79/15/1045327915.db2.gz GMHOVKXGSMATNC-AWEZNQCLSA-N -1 3 375.453 3.541 20 0 GHADHM CCCC[C@@H](CC)COC(=O)c1ccc([N-]S(=O)(=O)C2CCOCC2)cc1 ZINC001259915459 1045334667 /nfs/dbraw/zinc/33/46/67/1045334667.db2.gz HTFLVKIQCBZLSF-MRXNPFEDSA-N -1 3 397.537 3.981 20 0 GHADHM CCOP(=O)(OCC)c1ccc([N-]S(=O)(=O)Cc2ccccc2C)cc1 ZINC001260022529 1045358874 /nfs/dbraw/zinc/35/88/74/1045358874.db2.gz ASCAEBYEBOJQNJ-UHFFFAOYSA-N -1 3 397.433 3.828 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)c2ccncc12 ZINC001260087112 1045377250 /nfs/dbraw/zinc/37/72/50/1045377250.db2.gz GMQCHCHRZGAHOY-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC001297159495 1045468124 /nfs/dbraw/zinc/46/81/24/1045468124.db2.gz YYIDXYXPHUGMCW-SECBINFHSA-N -1 3 385.645 3.918 20 0 GHADHM CCOc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC001260560304 1045547024 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O=c1[nH]cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c2ccccc12 ZINC001260849788 1045711299 /nfs/dbraw/zinc/71/12/99/1045711299.db2.gz APZWBIXOEYPHCR-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM CN1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC12CCCCC2 ZINC001298170978 1045723998 /nfs/dbraw/zinc/72/39/98/1045723998.db2.gz STPRHFBRNCLDHV-UHFFFAOYSA-N -1 3 382.460 3.555 20 0 GHADHM C[NH+](C)CCc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC001260877185 1045734851 /nfs/dbraw/zinc/73/48/51/1045734851.db2.gz QJUDHEXSWNAIHA-UHFFFAOYSA-N -1 3 389.304 3.604 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C(C)=O)c1 ZINC001260897722 1045754539 /nfs/dbraw/zinc/75/45/39/1045754539.db2.gz WLQCPVHKXDKWGW-UHFFFAOYSA-N -1 3 387.379 3.859 20 0 GHADHM Cc1c(F)cccc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC001260910538 1045763878 /nfs/dbraw/zinc/76/38/78/1045763878.db2.gz DCOZPAPRMFSGBH-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261011351 1045832742 /nfs/dbraw/zinc/83/27/42/1045832742.db2.gz NYGURBAHPXNCDJ-JTQLQIEISA-N -1 3 379.350 3.893 20 0 GHADHM Cc1cc(S(=O)(=O)Nc2cc([O-])c(F)cc2F)ccc1Br ZINC001261047636 1045865812 /nfs/dbraw/zinc/86/58/12/1045865812.db2.gz FMVFHFHLSNACHT-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)cc(C)c1 ZINC001261064058 1045882807 /nfs/dbraw/zinc/88/28/07/1045882807.db2.gz PCVMYSYIWMCIJH-LLVKDONJSA-N -1 3 387.910 3.844 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC001261120385 1045904023 /nfs/dbraw/zinc/90/40/23/1045904023.db2.gz HFRDEHUVMRCKGB-GFCCVEGCSA-N -1 3 381.398 3.532 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001298995510 1045995385 /nfs/dbraw/zinc/99/53/85/1045995385.db2.gz QDGTUCTYJLYDJJ-HOCLYGCPSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001298995510 1045995392 /nfs/dbraw/zinc/99/53/92/1045995392.db2.gz QDGTUCTYJLYDJJ-HOCLYGCPSA-N -1 3 385.830 3.715 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)c([O-])c1 ZINC001299794999 1046040599 /nfs/dbraw/zinc/04/05/99/1046040599.db2.gz JWTYHXZTMOIPLS-QHCPKHFHSA-N -1 3 398.478 3.583 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)COc2c(Cl)cccc2Cl)[n-]n1 ZINC001299811335 1046048348 /nfs/dbraw/zinc/04/83/48/1046048348.db2.gz KCEYDDFBNBIXTG-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)COc2c(Cl)cccc2Cl)n[n-]1 ZINC001299811335 1046048360 /nfs/dbraw/zinc/04/83/60/1046048360.db2.gz KCEYDDFBNBIXTG-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(OC(F)F)cc1OC(F)F)CC2 ZINC001262156300 1046201589 /nfs/dbraw/zinc/20/15/89/1046201589.db2.gz MTMLPGOHVNSLCR-GFCCVEGCSA-N -1 3 377.334 3.576 20 0 GHADHM CC(C)(C)c1nsc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)n1 ZINC001262607164 1046279087 /nfs/dbraw/zinc/27/90/87/1046279087.db2.gz RYABDGCSCBGXDX-UHFFFAOYSA-N -1 3 392.435 3.946 20 0 GHADHM CC(C)(C)c1cnc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)s1 ZINC001262612048 1046281559 /nfs/dbraw/zinc/28/15/59/1046281559.db2.gz QRRGJKJTMBBTPE-UHFFFAOYSA-N -1 3 387.914 3.718 20 0 GHADHM O=C([N-][C@H]1CCOC12CCOCC2)C(F)(F)c1cc(Cl)ccc1Cl ZINC001262816390 1046358713 /nfs/dbraw/zinc/35/87/13/1046358713.db2.gz VWQCHASCFVOYRR-ZDUSSCGKSA-N -1 3 380.218 3.540 20 0 GHADHM O=C([N-][C@H](CO)[C@H](O)C1CCCCC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001301845466 1046728640 /nfs/dbraw/zinc/72/86/40/1046728640.db2.gz GKDVZFRFOGDLGS-HUUCEWRRSA-N -1 3 396.261 3.504 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2ccccc2n1CC(F)(F)F ZINC001301885099 1046746839 /nfs/dbraw/zinc/74/68/39/1046746839.db2.gz PDSRMILZPDGKMX-UHFFFAOYSA-N -1 3 386.337 3.636 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2ccccc2n1CC(F)(F)F ZINC001301885099 1046746855 /nfs/dbraw/zinc/74/68/55/1046746855.db2.gz PDSRMILZPDGKMX-UHFFFAOYSA-N -1 3 386.337 3.636 20 0 GHADHM COc1ccc(C(=O)Nc2[n-]nc(C)c2C(=O)Nc2ccccc2OC)c(C)c1 ZINC001302291488 1046902181 /nfs/dbraw/zinc/90/21/81/1046902181.db2.gz IKCPOFAZDFGOMM-UHFFFAOYSA-N -1 3 394.431 3.548 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000382558793 1047043868 /nfs/dbraw/zinc/04/38/68/1047043868.db2.gz QKZQSGOLGBZCOC-INIZCTEOSA-N -1 3 389.293 3.549 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)c(C)c1Cl ZINC001463164279 1070867990 /nfs/dbraw/zinc/86/79/90/1070867990.db2.gz FYLJKFFDKCROID-UHFFFAOYSA-N -1 3 379.931 3.744 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001303079477 1047273081 /nfs/dbraw/zinc/27/30/81/1047273081.db2.gz JWVVYSSHILGWGH-IBGZPJMESA-N -1 3 392.908 3.863 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](c2nccn2C)c2cccc(F)c2)c1 ZINC001264283708 1047296292 /nfs/dbraw/zinc/29/62/92/1047296292.db2.gz NONZHHBZRFLVBT-QGZVFWFLSA-N -1 3 389.377 3.565 20 0 GHADHM O=C(C=Cc1ccccc1C(F)(F)F)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256348 1047326259 /nfs/dbraw/zinc/32/62/59/1047326259.db2.gz HFKSSXWNEHQMFS-BQYQJAHWSA-N -1 3 375.350 3.634 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cc(C)cnc2Cl)cc1 ZINC001463188557 1070894923 /nfs/dbraw/zinc/89/49/23/1070894923.db2.gz XCCRXOSHVMKDMF-SJLPKXTDSA-N -1 3 394.924 3.798 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1cccc(Br)c1C ZINC001303418765 1047387989 /nfs/dbraw/zinc/38/79/89/1047387989.db2.gz OGDGNCXXMUUDHM-UHFFFAOYSA-N -1 3 392.297 3.657 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC001264921266 1047511989 /nfs/dbraw/zinc/51/19/89/1047511989.db2.gz GKSOWXPVLIDKCV-VURMDHGXSA-N -1 3 389.820 3.890 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(Cc2ncon2)CC1 ZINC001303862442 1047524527 /nfs/dbraw/zinc/52/45/27/1047524527.db2.gz ZZHNZMZKTYHPQS-UHFFFAOYSA-N -1 3 379.416 3.662 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304133724 1047596059 /nfs/dbraw/zinc/59/60/59/1047596059.db2.gz ZSDPGLFVELINSO-ZETCQYMHSA-N -1 3 399.760 3.931 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC001304416845 1047673798 /nfs/dbraw/zinc/67/37/98/1047673798.db2.gz YRPOAIQVIBNYTG-HXUWFJFHSA-N -1 3 377.396 3.829 20 0 GHADHM O=C(c1ccc(Cl)c([O-])c1)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001279228904 1047745681 /nfs/dbraw/zinc/74/56/81/1047745681.db2.gz ZJHASYLMWVOKOY-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304813416 1047779363 /nfs/dbraw/zinc/77/93/63/1047779363.db2.gz AXYVXVPKQKKJDE-LYZDEDRQSA-N -1 3 380.473 3.648 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n[n-]2)cc1 ZINC001305444022 1048055638 /nfs/dbraw/zinc/05/56/38/1048055638.db2.gz ATKRKZSGBUNFSF-KRWDZBQOSA-N -1 3 393.472 3.862 20 0 GHADHM Cc1ncsc1CN1CCC2(CN(Cc3cc(Cl)c([O-])cc3F)C2)C1 ZINC001280053717 1048064673 /nfs/dbraw/zinc/06/46/73/1048064673.db2.gz ZQWZKQDTUHFJPN-UHFFFAOYSA-N -1 3 381.904 3.658 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3oc(Br)cc3C)nc21 ZINC001463313417 1070981133 /nfs/dbraw/zinc/98/11/33/1070981133.db2.gz ITGDCQWRJUOBTQ-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM CCOC(=O)c1cccc2nc(NC(=O)c3oc(Br)cc3C)[n-]c21 ZINC001463313417 1070981137 /nfs/dbraw/zinc/98/11/37/1070981137.db2.gz ITGDCQWRJUOBTQ-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)CCOc3ccccc3)nc21 ZINC001463314152 1070982136 /nfs/dbraw/zinc/98/21/36/1070982136.db2.gz OTAUGOBADMWYAL-AWEZNQCLSA-N -1 3 381.432 3.783 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)C3CCCCC3)[n-]c2c(Br)c1 ZINC001463326164 1070988797 /nfs/dbraw/zinc/98/87/97/1070988797.db2.gz IZEPJUVXXDOSDH-UHFFFAOYSA-N -1 3 380.242 3.631 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001463339954 1070996185 /nfs/dbraw/zinc/99/61/85/1070996185.db2.gz ZSKJFHBSERBOKQ-QGZVFWFLSA-N -1 3 380.828 3.843 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2n[nH]cc2Br)s1)c1ccccc1 ZINC001306349307 1048588944 /nfs/dbraw/zinc/58/89/44/1048588944.db2.gz FPGWVXSNPUEAKC-SNVBAGLBSA-N -1 3 392.282 3.818 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)c(=O)c2c1 ZINC001306837793 1048922011 /nfs/dbraw/zinc/92/20/11/1048922011.db2.gz SGOUPHIKVRZKPB-IYBDPMFKSA-N -1 3 391.471 3.702 20 0 GHADHM CC(C)C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC001306869394 1048936831 /nfs/dbraw/zinc/93/68/31/1048936831.db2.gz SLPDTHVSAQDCFB-XIRDDKMYSA-N -1 3 384.442 3.874 20 0 GHADHM Cc1cc(=O)n(Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1C(F)(F)F ZINC001307391605 1049241632 /nfs/dbraw/zinc/24/16/32/1049241632.db2.gz YAXMZIRKVWCPBH-UHFFFAOYSA-N -1 3 375.306 3.619 20 0 GHADHM CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cn1 ZINC001289142803 1049340852 /nfs/dbraw/zinc/34/08/52/1049340852.db2.gz IEQOUQHDRXYOOW-UHFFFAOYSA-N -1 3 393.484 3.673 20 0 GHADHM O=C([N-]C1(c2ccccc2)COC1)C(F)(F)c1ccccc1Br ZINC001289306055 1049411748 /nfs/dbraw/zinc/41/17/48/1049411748.db2.gz DAGJPGPKVLHVEF-UHFFFAOYSA-N -1 3 382.204 3.583 20 0 GHADHM CCCC1(C(=O)Nc2nc3cc(C(=O)OC)cc(Br)c3[n-]2)CC1 ZINC001289668022 1049582628 /nfs/dbraw/zinc/58/26/28/1049582628.db2.gz LDVISOKNXMLNJA-UHFFFAOYSA-N -1 3 380.242 3.631 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(c3ccccc3)[C@@H](C)C3CC3)nc(=O)c2c1C ZINC001308002953 1049751880 /nfs/dbraw/zinc/75/18/80/1049751880.db2.gz MBLNPCMDORXKPG-ZDUSSCGKSA-N -1 3 397.500 3.885 20 0 GHADHM CC1(C)CC[C@H](CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)OC1 ZINC001308011967 1049760251 /nfs/dbraw/zinc/76/02/51/1049760251.db2.gz ISNCFGJNLAUHFB-LSDHHAIUSA-N -1 3 384.442 3.864 20 0 GHADHM CCOC(=O)N[C@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])CC(C)C ZINC001290826759 1049933913 /nfs/dbraw/zinc/93/39/13/1049933913.db2.gz FANFTDHNIQFBHP-IBGZPJMESA-N -1 3 398.503 3.874 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ccc(Br)cc1[O-] ZINC001290875198 1049942201 /nfs/dbraw/zinc/94/22/01/1049942201.db2.gz GUYVDZCXUALSRB-UHFFFAOYSA-N -1 3 399.191 3.844 20 0 GHADHM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1cccc(Cl)c1F ZINC001309046698 1050299338 /nfs/dbraw/zinc/29/93/38/1050299338.db2.gz JVHPDRRVZDQUKO-UHFFFAOYSA-N -1 3 379.840 3.990 20 0 GHADHM CON(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)[C@@H](C)c1csc(C)n1 ZINC001328049889 1050374979 /nfs/dbraw/zinc/37/49/79/1050374979.db2.gz HLGSERAVAZNFJA-JTQLQIEISA-N -1 3 375.425 3.505 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001309122198 1050378656 /nfs/dbraw/zinc/37/86/56/1050378656.db2.gz ONPKHSWKWIWSCW-IJEWVQPXSA-N -1 3 385.501 3.599 20 0 GHADHM COc1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC001309247426 1050516967 /nfs/dbraw/zinc/51/69/67/1050516967.db2.gz YREZDRBFPCGMSZ-JTQLQIEISA-N -1 3 377.359 3.893 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(Cl)cc1F ZINC001309260694 1050530337 /nfs/dbraw/zinc/53/03/37/1050530337.db2.gz AKIQGBYMGZNOMY-ZDUSSCGKSA-N -1 3 389.279 3.690 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)OC(C)(C)C ZINC001309289294 1050560001 /nfs/dbraw/zinc/56/00/01/1050560001.db2.gz PGUAHRNMIOGYMJ-CQSZACIVSA-N -1 3 396.534 3.517 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C)CCCc2ccccc21 ZINC001309340123 1050610525 /nfs/dbraw/zinc/61/05/25/1050610525.db2.gz KOKQQDKACJNTOQ-IBGZPJMESA-N -1 3 393.892 3.657 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c(Br)c1 ZINC001309340013 1050610934 /nfs/dbraw/zinc/61/09/34/1050610934.db2.gz KGPJDSXJFJNTLJ-JTQLQIEISA-N -1 3 398.775 3.975 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001309408994 1050690424 /nfs/dbraw/zinc/69/04/24/1050690424.db2.gz UPCSXUWVFVZHLH-HIFRSBDPSA-N -1 3 385.501 3.886 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)CC2)c(C)c1Cl ZINC001309410962 1050693849 /nfs/dbraw/zinc/69/38/49/1050693849.db2.gz CGWWXCOFIUTNPQ-MWLCHTKSSA-N -1 3 379.931 3.744 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c[nH]c2c1cccc2Br)C(F)(F)F ZINC001309415850 1050699069 /nfs/dbraw/zinc/69/90/69/1050699069.db2.gz PYRMSXXZIXMPMT-JTQLQIEISA-N -1 3 385.205 3.550 20 0 GHADHM C[S@@](=O)(=NS(=O)(=O)[N-]CCCc1cccc(Cl)c1)C1CCCCC1 ZINC001309460716 1050736050 /nfs/dbraw/zinc/73/60/50/1050736050.db2.gz PDHABCGKPSJCEX-QHCPKHFHSA-N -1 3 392.974 3.538 20 0 GHADHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001309652361 1050899063 /nfs/dbraw/zinc/89/90/63/1050899063.db2.gz ZBMWPPHZXWKHJA-NSHDSACASA-N -1 3 386.926 3.557 20 0 GHADHM CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@@H]1F ZINC001309796813 1050977430 /nfs/dbraw/zinc/97/74/30/1050977430.db2.gz RYMOMYZJJNTHKI-BURNTYAHSA-N -1 3 389.492 3.634 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2CC[C@H]1F)c1cscc1Br ZINC001309796442 1050977730 /nfs/dbraw/zinc/97/77/30/1050977730.db2.gz HRPYMTBITVAHKV-TZMCWYRMSA-N -1 3 390.299 3.815 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F)c1sc2ccccc2c1Cl ZINC001309800127 1050980110 /nfs/dbraw/zinc/98/01/10/1050980110.db2.gz KRPXNOCOFVNLOF-VIFPVBQESA-N -1 3 393.864 3.702 20 0 GHADHM O=S(=O)([N-]CCc1sccc1Br)c1cccc(Cl)c1F ZINC001309806333 1050983221 /nfs/dbraw/zinc/98/32/21/1050983221.db2.gz ZTOOWCADOBEITN-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2(OC(C)C)CCC2)c(F)cc1Br ZINC001309823821 1050990929 /nfs/dbraw/zinc/99/09/29/1050990929.db2.gz NMFHHTOHCISTSU-UHFFFAOYSA-N -1 3 394.306 3.523 20 0 GHADHM CCOC(=O)[C@H](C[C@@H](C)CC)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001309854211 1051006443 /nfs/dbraw/zinc/00/64/43/1051006443.db2.gz CGQQJPQAVUTWPS-NHYWBVRUSA-N -1 3 396.336 3.781 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCCC(C)(C)C2)cc1OC ZINC001310175502 1051207378 /nfs/dbraw/zinc/20/73/78/1051207378.db2.gz FKVZVOXQCMYKBW-AWEZNQCLSA-N -1 3 397.541 3.795 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C ZINC001310252654 1051250326 /nfs/dbraw/zinc/25/03/26/1051250326.db2.gz RLRIAZHLVJZROZ-APWZRJJASA-N -1 3 394.475 3.769 20 0 GHADHM O=c1cc(CN2CCC[C@H]2c2cncc(Br)c2)nc(C2CC2)[n-]1 ZINC001333254022 1051702072 /nfs/dbraw/zinc/70/20/72/1051702072.db2.gz RKIJEANRANGDFW-HNNXBMFYSA-N -1 3 375.270 3.554 20 0 GHADHM Cc1c(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)sc2nc(C)nc(C)c12 ZINC001334794006 1051980302 /nfs/dbraw/zinc/98/03/02/1051980302.db2.gz NYWFTTUGLRFHKO-NEPJUHHUSA-N -1 3 387.427 3.702 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001312090312 1052567413 /nfs/dbraw/zinc/56/74/13/1052567413.db2.gz PNGBCNZIICOHJS-GZBFAFLISA-N -1 3 385.430 3.631 20 0 GHADHM CC(C)C[C@@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001312346868 1052705646 /nfs/dbraw/zinc/70/56/46/1052705646.db2.gz SZPVKHNOLYLQCK-ZIAGYGMSSA-N -1 3 385.430 3.803 20 0 GHADHM CS(=O)(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC001343421645 1053762815 /nfs/dbraw/zinc/76/28/15/1053762815.db2.gz KYLDMJAPUCHLMX-UHFFFAOYSA-N -1 3 385.844 3.550 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC001343580723 1053904922 /nfs/dbraw/zinc/90/49/22/1053904922.db2.gz GCHCPSZWRPIMDI-UHFFFAOYSA-N -1 3 399.188 3.605 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1Cc1ccco1 ZINC001343924870 1054120990 /nfs/dbraw/zinc/12/09/90/1054120990.db2.gz CIIPKSLTYZJIEB-UHFFFAOYSA-N -1 3 393.399 3.859 20 0 GHADHM CC(C)c1oc(-c2ccccc2)nc1C(=O)[N-]c1ncn(Cc2cccnc2)n1 ZINC001318079921 1054391569 /nfs/dbraw/zinc/39/15/69/1054391569.db2.gz BFCUMNHZLRRRRF-UHFFFAOYSA-N -1 3 388.431 3.752 20 0 GHADHM O=C(CCOc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001318278035 1054542793 /nfs/dbraw/zinc/54/27/93/1054542793.db2.gz VDJRHTVLGCKTIU-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001318278035 1054542808 /nfs/dbraw/zinc/54/28/08/1054542808.db2.gz VDJRHTVLGCKTIU-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])cc1 ZINC001318308638 1054559450 /nfs/dbraw/zinc/55/94/50/1054559450.db2.gz RWWLVNOZCKLSDU-SNVBAGLBSA-N -1 3 379.206 3.592 20 0 GHADHM COc1ccc(CN(Cc2ccccc2)C(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001318923543 1054950920 /nfs/dbraw/zinc/95/09/20/1054950920.db2.gz NJGTXPUAZJDXDO-UHFFFAOYSA-N -1 3 391.471 3.661 20 0 GHADHM NC(=O)CCc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC001319004677 1054986636 /nfs/dbraw/zinc/98/66/36/1054986636.db2.gz HIXYWMYPENCSIR-UHFFFAOYSA-N -1 3 390.439 3.641 20 0 GHADHM Cc1nc(-c2nnc(N(C)Cc3cc4ccccc4o3)n2CC2CC2)cc(=O)[n-]1 ZINC001345804638 1055266099 /nfs/dbraw/zinc/26/60/99/1055266099.db2.gz HANZTYFWFIHGOB-UHFFFAOYSA-N -1 3 390.447 3.542 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC001319883915 1055520365 /nfs/dbraw/zinc/52/03/65/1055520365.db2.gz PQPXQFHRGXUFAP-NSHDSACASA-N -1 3 380.275 3.876 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001321764915 1056388356 /nfs/dbraw/zinc/38/83/56/1056388356.db2.gz XQTKCCKWHJXYFM-NSHDSACASA-N -1 3 398.290 3.656 20 0 GHADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cncc(N2CCCC2)n1 ZINC001354166442 1056388443 /nfs/dbraw/zinc/38/84/43/1056388443.db2.gz VQQATXNCPPTEFN-UHFFFAOYSA-N -1 3 382.411 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000848072872 1056548995 /nfs/dbraw/zinc/54/89/95/1056548995.db2.gz SEXOXOATGCMTBY-QVKFZJNVSA-N -1 3 388.464 3.571 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC001323263821 1056946319 /nfs/dbraw/zinc/94/63/19/1056946319.db2.gz 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Cc1ccc(-c2noc([C@H](C)[N-]C(=O)C(F)(F)c3ncccc3C)n2)cc1F ZINC001356150567 1057409615 /nfs/dbraw/zinc/40/96/15/1057409615.db2.gz ZQMBIJULIYPPOJ-LBPRGKRZSA-N -1 3 390.365 3.857 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc4nc(C)sc4c3)nc21 ZINC001439998470 1058381490 /nfs/dbraw/zinc/38/14/90/1058381490.db2.gz PRCJNAVQIRKMNT-UHFFFAOYSA-N -1 3 380.429 3.910 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@H]3CC34CCCC4)[n-]c2c(Br)c1 ZINC001440028879 1058392676 /nfs/dbraw/zinc/39/26/76/1058392676.db2.gz OEXJVPBZAWAZCW-SNVBAGLBSA-N -1 3 392.253 3.631 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)c3ccccn3)cc2)cc1 ZINC001440521010 1058529558 /nfs/dbraw/zinc/52/95/58/1058529558.db2.gz SBKRVYKZKYLQCN-MRXNPFEDSA-N -1 3 395.484 3.933 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc4cnccc4s3)c2)n1 ZINC001441564552 1058817079 /nfs/dbraw/zinc/81/70/79/1058817079.db2.gz SRVMOQSGYKQCOP-UHFFFAOYSA-N -1 3 377.429 3.669 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC001443972774 1059243041 /nfs/dbraw/zinc/24/30/41/1059243041.db2.gz HVCUOGCAPSLBOL-INIZCTEOSA-N -1 3 395.890 3.923 20 0 GHADHM CC(C)(C)c1ccc(/C=C\C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC001445648845 1059585649 /nfs/dbraw/zinc/58/56/49/1059585649.db2.gz VZGZSSMFVDAGCW-RAXLEYEMSA-N -1 3 392.499 3.688 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)[C@H](O)c1ccccc1F ZINC001445791547 1059619185 /nfs/dbraw/zinc/61/91/85/1059619185.db2.gz AZNNSHPLODVKET-LSDHHAIUSA-N -1 3 386.801 3.903 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(F)cc(Cl)c1 ZINC001446064125 1059689321 /nfs/dbraw/zinc/68/93/21/1059689321.db2.gz CJOYCGUWKQEAAL-UHFFFAOYSA-N -1 3 386.814 3.916 20 0 GHADHM O=C(Nc1ccc2cccc(Br)c2n1)c1cc2c(cc1[O-])OCO2 ZINC001446170417 1059718025 /nfs/dbraw/zinc/71/80/25/1059718025.db2.gz ZZVQIUJWQGHRSO-UHFFFAOYSA-N -1 3 387.189 3.684 20 0 GHADHM C[C@H](CO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1)NC(=O)OC(C)(C)C ZINC001446276992 1059742714 /nfs/dbraw/zinc/74/27/14/1059742714.db2.gz FDNFVDCBRGCNIZ-OAHLLOKOSA-N -1 3 392.496 3.637 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)c(OC(F)F)c2)c([O-])c1 ZINC001446696043 1059833417 /nfs/dbraw/zinc/83/34/17/1059833417.db2.gz WODZCZNUSRCYIH-UHFFFAOYSA-N -1 3 398.793 3.714 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001446870527 1059888528 /nfs/dbraw/zinc/88/85/28/1059888528.db2.gz RNQDYIUDIVXMJK-LLVKDONJSA-N -1 3 376.482 3.939 20 0 GHADHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(C)c(F)c1 ZINC001446884999 1059898140 /nfs/dbraw/zinc/89/81/40/1059898140.db2.gz FGRQGLCOXRFATA-LJQANCHMSA-N -1 3 394.450 3.810 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c([O-])c1 ZINC001447060637 1059923975 /nfs/dbraw/zinc/92/39/75/1059923975.db2.gz IKLWRDMWHZMXFM-UHFFFAOYSA-N -1 3 385.807 3.865 20 0 GHADHM Cc1csc(CNc2cccc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c2)n1 ZINC001450049886 1060512398 /nfs/dbraw/zinc/51/23/98/1060512398.db2.gz JWMSPWNDSFWFAI-UHFFFAOYSA-N -1 3 379.445 3.898 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450914164 1060716487 /nfs/dbraw/zinc/71/64/87/1060716487.db2.gz ADVMFXCKTOCYDV-VAWYXSNFSA-N -1 3 389.459 3.764 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450914164 1060716501 /nfs/dbraw/zinc/71/65/01/1060716501.db2.gz ADVMFXCKTOCYDV-VAWYXSNFSA-N -1 3 389.459 3.764 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001450920510 1060718312 /nfs/dbraw/zinc/71/83/12/1060718312.db2.gz OGHMZUAIIIRSCP-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001450920510 1060718323 /nfs/dbraw/zinc/71/83/23/1060718323.db2.gz OGHMZUAIIIRSCP-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM COc1nccc2c(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cccc21 ZINC001451070787 1060732494 /nfs/dbraw/zinc/73/24/94/1060732494.db2.gz XTCOVKUWJLMFTG-UHFFFAOYSA-N -1 3 377.375 3.785 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001452503426 1060951360 /nfs/dbraw/zinc/95/13/60/1060951360.db2.gz KQBLFYZNYFQIRM-BENRWUELSA-N -1 3 377.437 3.957 20 0 GHADHM COC(=O)c1c(C)c(C)sc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001452529631 1060957495 /nfs/dbraw/zinc/95/74/95/1060957495.db2.gz ZDWVTMNXTCGOQY-UHFFFAOYSA-N -1 3 392.383 3.524 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC2CCCC2)ccc1F ZINC001452665730 1060982046 /nfs/dbraw/zinc/98/20/46/1060982046.db2.gz NGBMSMHGKRMPMD-KRWDZBQOSA-N -1 3 396.528 3.697 20 0 GHADHM O=C(c1cc2ccc(Br)cc2s1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452723924 1060993856 /nfs/dbraw/zinc/99/38/56/1060993856.db2.gz ZSLLDGDYQVURMN-JTQLQIEISA-N -1 3 392.278 3.722 20 0 GHADHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1cc(COc2ccccc2F)on1 ZINC001453131114 1061080895 /nfs/dbraw/zinc/08/08/95/1061080895.db2.gz IPTLQURDCUEZQX-UHFFFAOYSA-N -1 3 387.298 3.631 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccoc3)c2)cc1 ZINC001453493793 1061142366 /nfs/dbraw/zinc/14/23/66/1061142366.db2.gz CHKVWUWVLRWRKL-UHFFFAOYSA-N -1 3 398.484 3.670 20 0 GHADHM COc1ccc(Cl)c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c1 ZINC001346270355 1061487705 /nfs/dbraw/zinc/48/77/05/1061487705.db2.gz VWRSTVKEIVAZIO-CVEARBPZSA-N -1 3 381.806 3.927 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC001347307568 1062286193 /nfs/dbraw/zinc/28/61/93/1062286193.db2.gz UQCUAIHQPSMSCP-FQEVSTJZSA-N -1 3 388.471 3.556 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)/C=C\[C@]3(C)CC[C@H](C)C3(C)C)CC2)n1 ZINC001347420949 1062372183 /nfs/dbraw/zinc/37/21/83/1062372183.db2.gz CQRHRRONJXGTAV-LJMQMDKYSA-N -1 3 386.540 3.594 20 0 GHADHM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001347495256 1062436103 /nfs/dbraw/zinc/43/61/03/1062436103.db2.gz CTNXKBPBVQXHLG-WZONZLPQSA-N -1 3 386.536 3.829 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001435358151 1062539417 /nfs/dbraw/zinc/53/94/17/1062539417.db2.gz QHGNSCKYCAGNEX-NSHDSACASA-N -1 3 391.349 3.854 20 0 GHADHM CCCCC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC ZINC001435448164 1062619405 /nfs/dbraw/zinc/61/94/05/1062619405.db2.gz ZNBLWDGGAKJLQT-ZDUSSCGKSA-N -1 3 377.815 3.679 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)[n-]n1 ZINC001456339519 1062624431 /nfs/dbraw/zinc/62/44/31/1062624431.db2.gz XCLBQPIJUMGRKG-INIZCTEOSA-N -1 3 379.844 3.670 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)n[n-]1 ZINC001456339519 1062624449 /nfs/dbraw/zinc/62/44/49/1062624449.db2.gz XCLBQPIJUMGRKG-INIZCTEOSA-N -1 3 379.844 3.670 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCc4ccccc4O3)CC2)c1 ZINC001347841516 1062712644 /nfs/dbraw/zinc/71/26/44/1062712644.db2.gz ORMKNKAFDCVWTB-UHFFFAOYSA-N -1 3 392.455 3.517 20 0 GHADHM O=C(NC[C@@H]1CCC2(CCOCC2)O1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456566454 1062754860 /nfs/dbraw/zinc/75/48/60/1062754860.db2.gz ZKZAOAQOBKIHDN-FQEVSTJZSA-N -1 3 395.499 3.635 20 0 GHADHM CCc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1Cc1ccccc1 ZINC001435696298 1062860702 /nfs/dbraw/zinc/86/07/02/1062860702.db2.gz FHHMJNLBKHGZIP-UHFFFAOYSA-N -1 3 396.501 3.721 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1OCC1CC1 ZINC001456800069 1062865246 /nfs/dbraw/zinc/86/52/46/1062865246.db2.gz NFWVLBWTMQBLLE-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1OCC1CC1 ZINC001456800069 1062865268 /nfs/dbraw/zinc/86/52/68/1062865268.db2.gz NFWVLBWTMQBLLE-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456802697 1062869426 /nfs/dbraw/zinc/86/94/26/1062869426.db2.gz UQXPSOKGYMITLT-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456802697 1062869474 /nfs/dbraw/zinc/86/94/74/1062869474.db2.gz UQXPSOKGYMITLT-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456936235 1062923604 /nfs/dbraw/zinc/92/36/04/1062923604.db2.gz NCDXDEUSMQKEBK-ATIWLJMLSA-N -1 3 375.513 3.699 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456934812 1062923912 /nfs/dbraw/zinc/92/39/12/1062923912.db2.gz KDBKYYNKUKAKCL-IIAWOOMASA-N -1 3 389.496 3.892 20 0 GHADHM COC(=O)c1sc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])nc1C ZINC001457567079 1063251926 /nfs/dbraw/zinc/25/19/26/1063251926.db2.gz DXWFMHZZHQNDJZ-UHFFFAOYSA-N -1 3 382.441 3.787 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2)no1)c1cnn(Cc2ccccc2)c1Cl ZINC001457581381 1063261587 /nfs/dbraw/zinc/26/15/87/1063261587.db2.gz XDNLHIVDXCBNPC-UHFFFAOYSA-N -1 3 379.807 3.887 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(OCC(F)F)ccn2)c([O-])c1 ZINC001457731590 1063333049 /nfs/dbraw/zinc/33/30/49/1063333049.db2.gz NYCDMWCEXXUWJG-UHFFFAOYSA-N -1 3 380.391 3.540 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1C(F)(F)F ZINC001436648085 1063593100 /nfs/dbraw/zinc/59/31/00/1063593100.db2.gz DZXOOHUGEBROEL-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1C(F)(F)F ZINC001436648085 1063593121 /nfs/dbraw/zinc/59/31/21/1063593121.db2.gz DZXOOHUGEBROEL-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001436649779 1063593421 /nfs/dbraw/zinc/59/34/21/1063593421.db2.gz QVCOZYDOUNEJHN-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001436649779 1063593439 /nfs/dbraw/zinc/59/34/39/1063593439.db2.gz QVCOZYDOUNEJHN-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3coc4cc(Cl)ccc34)nc21 ZINC001458168876 1063624831 /nfs/dbraw/zinc/62/48/31/1063624831.db2.gz IRVDUTRPYABVID-UHFFFAOYSA-N -1 3 383.791 3.930 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001349909245 1063939955 /nfs/dbraw/zinc/93/99/55/1063939955.db2.gz SZPIXFDKRMNPCS-REWPJTCUSA-N -1 3 386.536 3.829 20 0 GHADHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1nnc(-c2cccc(Cl)c2)o1 ZINC001459183184 1064017271 /nfs/dbraw/zinc/01/72/71/1064017271.db2.gz GPWCIYCVBMAIST-QMMMGPOBSA-N -1 3 388.840 3.626 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C2(c3noc(C)n3)CCCCCC2)c1 ZINC001350622083 1064145745 /nfs/dbraw/zinc/14/57/45/1064145745.db2.gz QTFFJKYNFRHZFN-UHFFFAOYSA-N -1 3 379.407 3.844 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)NCCCc3c[n-][nH]c3=O)c(C)c2)c1 ZINC001351174883 1064293047 /nfs/dbraw/zinc/29/30/47/1064293047.db2.gz BTQCEGQFRRHTII-GOSISDBHSA-N -1 3 394.475 3.516 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC001463385947 1064303877 /nfs/dbraw/zinc/30/38/77/1064303877.db2.gz NLDIELRXMOGJJD-LLVKDONJSA-N -1 3 392.830 3.972 20 0 GHADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)OCC ZINC001463554941 1064456648 /nfs/dbraw/zinc/45/66/48/1064456648.db2.gz JSQFYQBYJFFIIK-UZLBHIALSA-N -1 3 391.533 3.670 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC001463606703 1064494899 /nfs/dbraw/zinc/49/48/99/1064494899.db2.gz FBMFVUFCAZGLOA-RYUDHWBXSA-N -1 3 390.299 3.793 20 0 GHADHM O=C(c1cccc(F)c1[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351775837 1064596936 /nfs/dbraw/zinc/59/69/36/1064596936.db2.gz JOBQLLYCNZVXNR-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM Cc1ccc(Br)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC001463805961 1064633001 /nfs/dbraw/zinc/63/30/01/1064633001.db2.gz HSSBAJIDWCINTA-UHFFFAOYSA-N -1 3 390.249 3.828 20 0 GHADHM CC(C)(C)c1coc([N-]C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)n1 ZINC000847104603 1064711739 /nfs/dbraw/zinc/71/17/39/1064711739.db2.gz XBFMPFMWQILAKL-UHFFFAOYSA-N -1 3 398.431 3.686 20 0 GHADHM COc1ccccc1CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CC1 ZINC001464328435 1064956931 /nfs/dbraw/zinc/95/69/31/1064956931.db2.gz DUQTTWLFKZHVMS-UHFFFAOYSA-N -1 3 382.847 3.995 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F)CC(F)F ZINC001464398169 1064988141 /nfs/dbraw/zinc/98/81/41/1064988141.db2.gz JKEXFGKWJMNHIC-UHFFFAOYSA-N -1 3 380.819 3.987 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc3c(s2)CCC3)c1Cl ZINC001464456568 1065022057 /nfs/dbraw/zinc/02/20/57/1065022057.db2.gz BJMWWLNSEQDJRB-UHFFFAOYSA-N -1 3 391.345 3.768 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001352563313 1065138904 /nfs/dbraw/zinc/13/89/04/1065138904.db2.gz KYCLSEXXCLOUAY-CQSZACIVSA-N -1 3 378.436 3.524 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCS1 ZINC001464652732 1065140030 /nfs/dbraw/zinc/14/00/30/1065140030.db2.gz DQIUJPJGIQZIAB-JTQLQIEISA-N -1 3 382.320 3.541 20 0 GHADHM O=C(CC1CCCCC1)NCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001464689340 1065157609 /nfs/dbraw/zinc/15/76/09/1065157609.db2.gz YZWSVYSXEZVCEA-UHFFFAOYSA-N -1 3 394.515 3.799 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC001464703189 1065164899 /nfs/dbraw/zinc/16/48/99/1065164899.db2.gz BKIILBGZJMOTFN-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1Cc1ccccc1)c1cc2nc(Cl)ncc2s1 ZINC001464821597 1065229412 /nfs/dbraw/zinc/22/94/12/1065229412.db2.gz ULHWAZSHOIMMMZ-OLZOCXBDSA-N -1 3 393.921 3.502 20 0 GHADHM COc1ccc(CCNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1F ZINC001464846257 1065241606 /nfs/dbraw/zinc/24/16/06/1065241606.db2.gz XIXIBNCFJBZNHP-UHFFFAOYSA-N -1 3 395.456 3.610 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001465211909 1065465085 /nfs/dbraw/zinc/46/50/85/1065465085.db2.gz YOSDWHUZOGGUSH-ZDUSSCGKSA-N -1 3 376.478 3.736 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)CCC(C)(C)C ZINC001465258317 1065505977 /nfs/dbraw/zinc/50/59/77/1065505977.db2.gz VOTWTTQTOUPRPW-CYBMUJFWSA-N -1 3 397.475 3.937 20 0 GHADHM CCCN(C(=O)c1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000847594085 1065704442 /nfs/dbraw/zinc/70/44/42/1065704442.db2.gz OSBOLMVOGOTCKU-UHFFFAOYSA-N -1 3 382.464 3.573 20 0 GHADHM CCc1ccc(CC)c(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001465758936 1065835756 /nfs/dbraw/zinc/83/57/56/1065835756.db2.gz GXDKBTPQZTVKRU-UHFFFAOYSA-N -1 3 393.484 3.644 20 0 GHADHM CC(C)CCC1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC001465933235 1065929298 /nfs/dbraw/zinc/92/92/98/1065929298.db2.gz MJLVFFFOGLHORP-UHFFFAOYSA-N -1 3 386.945 4.000 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[n-]n1 ZINC001466590531 1066201052 /nfs/dbraw/zinc/20/10/52/1066201052.db2.gz UXAJJQJPZHHHKF-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)n[n-]1 ZINC001466590531 1066201061 /nfs/dbraw/zinc/20/10/61/1066201061.db2.gz UXAJJQJPZHHHKF-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM Cc1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c([O-])c1 ZINC001466695139 1066261456 /nfs/dbraw/zinc/26/14/56/1066261456.db2.gz UWPSXCOWVPPMKW-UHFFFAOYSA-N -1 3 384.476 3.868 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1nccc2ccsc21 ZINC001466818109 1066334667 /nfs/dbraw/zinc/33/46/67/1066334667.db2.gz BVCHOVIAVPXPDH-UHFFFAOYSA-N -1 3 396.209 3.859 20 0 GHADHM CC[C@@H](C)CC[C@@H](O)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001466940329 1066402620 /nfs/dbraw/zinc/40/26/20/1066402620.db2.gz QWAHFPIEIAWPRO-BXUZGUMPSA-N -1 3 376.266 3.713 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1F ZINC001466972343 1066422455 /nfs/dbraw/zinc/42/24/55/1066422455.db2.gz AHNZHEATDYKIKI-UHFFFAOYSA-N -1 3 398.442 3.999 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1F ZINC001466972343 1066422457 /nfs/dbraw/zinc/42/24/57/1066422457.db2.gz AHNZHEATDYKIKI-UHFFFAOYSA-N -1 3 398.442 3.999 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001357541620 1067154618 /nfs/dbraw/zinc/15/46/18/1067154618.db2.gz PLGLFFGCHUJORQ-UHFFFAOYSA-N -1 3 389.260 3.823 20 0 GHADHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001467535858 1067346958 /nfs/dbraw/zinc/34/69/58/1067346958.db2.gz SZJHEWVAOLWQCQ-UHFFFAOYSA-N -1 3 393.513 3.783 20 0 GHADHM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC001467956751 1067544546 /nfs/dbraw/zinc/54/45/46/1067544546.db2.gz OAAFNVWCFULFRM-UHFFFAOYSA-N -1 3 385.826 3.695 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001468122008 1067602867 /nfs/dbraw/zinc/60/28/67/1067602867.db2.gz FMCIDSXUZFDQTD-QGZVFWFLSA-N -1 3 386.810 3.534 20 0 GHADHM Cc1ccc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001468673007 1067818288 /nfs/dbraw/zinc/81/82/88/1067818288.db2.gz LLTZDFYNBVRHLZ-WKILWMFISA-N -1 3 376.497 3.762 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000849453937 1067850203 /nfs/dbraw/zinc/85/02/03/1067850203.db2.gz DKBYPMDSUZHLQF-ZIAGYGMSSA-N -1 3 391.798 3.816 20 0 GHADHM CCc1csc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n1 ZINC001468898837 1067922525 /nfs/dbraw/zinc/92/25/25/1067922525.db2.gz NAESXMUHEXNOJY-UHFFFAOYSA-N -1 3 383.351 3.698 20 0 GHADHM O=C(NC[C@@H](CO)c1ccc(F)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001469013538 1067952348 /nfs/dbraw/zinc/95/23/48/1067952348.db2.gz SQEUPFJLUVKPBJ-INIZCTEOSA-N -1 3 381.403 3.830 20 0 GHADHM CN(C[C@@H](O)c1ccccc1Br)C(=O)c1cc([O-])ccc1Cl ZINC001469032918 1067958595 /nfs/dbraw/zinc/95/85/95/1067958595.db2.gz GHHRMAHJBDUKBL-OAHLLOKOSA-N -1 3 384.657 3.614 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)[C@H]1C(=O)OC(C)(C)C ZINC001469223920 1068039372 /nfs/dbraw/zinc/03/93/72/1068039372.db2.gz FABYSLFHFUNZSZ-XHDPSFHLSA-N -1 3 398.297 3.737 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)c2c(=O)n1C ZINC001469294494 1068084624 /nfs/dbraw/zinc/08/46/24/1068084624.db2.gz YQKJOFMJGRGLBK-UHFFFAOYSA-N -1 3 387.852 3.532 20 0 GHADHM CC(C)c1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cnn1-c1ccccc1 ZINC001469322614 1068102170 /nfs/dbraw/zinc/10/21/70/1068102170.db2.gz FAPWOSWNBPPKOI-UHFFFAOYSA-N -1 3 395.463 3.926 20 0 GHADHM CC(C)c1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cnn1-c1ccccc1 ZINC001469322614 1068102173 /nfs/dbraw/zinc/10/21/73/1068102173.db2.gz FAPWOSWNBPPKOI-UHFFFAOYSA-N -1 3 395.463 3.926 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](Cc1ccccc1)c1ncon1 ZINC001469601795 1068250412 /nfs/dbraw/zinc/25/04/12/1068250412.db2.gz GLHQGEHAKOGCBW-INIZCTEOSA-N -1 3 387.386 3.660 20 0 GHADHM O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001546175345 1068251769 /nfs/dbraw/zinc/25/17/69/1068251769.db2.gz NCHUTAQQOJCORY-SFHVURJKSA-N -1 3 383.444 3.990 20 0 GHADHM Cc1ccc([C@H](CC(F)(F)F)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001469686251 1068308710 /nfs/dbraw/zinc/30/87/10/1068308710.db2.gz HRSQUFBSLHZMGO-JTQLQIEISA-N -1 3 395.307 3.625 20 0 GHADHM O=C(c1cc2sc(Br)cc2s1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716302 1068333702 /nfs/dbraw/zinc/33/37/02/1068333702.db2.gz UKJMOASDLODXQC-ZETCQYMHSA-N -1 3 398.307 3.784 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c([O-])c1 ZINC001470022754 1068528253 /nfs/dbraw/zinc/52/82/53/1068528253.db2.gz KIPPCSHNMIQVJH-LJQANCHMSA-N -1 3 380.488 3.801 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478219507 1078770952 /nfs/dbraw/zinc/77/09/52/1078770952.db2.gz ASIJVQYRIBCDQF-IIAWOOMASA-N -1 3 397.441 3.947 20 0 GHADHM CC1(C)CC[C@@H](NCC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@H](c2ccccc2)C1 ZINC001460668368 1069073053 /nfs/dbraw/zinc/07/30/53/1069073053.db2.gz DAPSOFNDEPURTO-QZTJIDSGSA-N -1 3 397.544 3.961 20 0 GHADHM Cc1ccc(N2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)c(C)c1 ZINC001470403540 1072532534 /nfs/dbraw/zinc/53/25/34/1072532534.db2.gz ORSVLLNMTSUMRL-UHFFFAOYSA-N -1 3 389.293 3.734 20 0 GHADHM C[C@H](CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C1CCCCC1 ZINC001471013317 1072883693 /nfs/dbraw/zinc/88/36/93/1072883693.db2.gz LQONSNDBBDXGCB-CYBMUJFWSA-N -1 3 386.945 4.000 20 0 GHADHM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C2 ZINC001471614250 1073158829 /nfs/dbraw/zinc/15/88/29/1073158829.db2.gz VUIMPCWUMTUHBG-CYFREDJKSA-N -1 3 393.483 3.593 20 0 GHADHM C[C@H](C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccc(C(F)(F)F)cc1 ZINC001471676784 1073175208 /nfs/dbraw/zinc/17/52/08/1073175208.db2.gz GFJDRDNKHLVXMM-JTQLQIEISA-N -1 3 377.366 3.724 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cc(F)ccc1OC ZINC001471946058 1073275477 /nfs/dbraw/zinc/27/54/77/1073275477.db2.gz IXWXNMDBPBNGPB-INIZCTEOSA-N -1 3 381.350 3.886 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)[n-]n1 ZINC001472092765 1073332228 /nfs/dbraw/zinc/33/22/28/1073332228.db2.gz GRBCUZIOBZZHKU-UHFFFAOYSA-N -1 3 392.774 3.675 20 0 GHADHM CCc1ccccc1OCCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472242532 1073381330 /nfs/dbraw/zinc/38/13/30/1073381330.db2.gz OYOHPGMIXQWASL-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM CCc1ccccc1OCCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472242532 1073381335 /nfs/dbraw/zinc/38/13/35/1073381335.db2.gz OYOHPGMIXQWASL-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)n[n-]2)o1 ZINC001472526623 1073531364 /nfs/dbraw/zinc/53/13/64/1073531364.db2.gz QKXRWYZAHCWVKF-ZDUSSCGKSA-N -1 3 391.472 3.593 20 0 GHADHM Cc1csc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2F)n1 ZINC001472552102 1073547591 /nfs/dbraw/zinc/54/75/91/1073547591.db2.gz FJMFDFZZTBLKFS-UHFFFAOYSA-N -1 3 397.387 3.519 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(-c4ccccc4F)o3)c2c1=O ZINC001472584704 1073561251 /nfs/dbraw/zinc/56/12/51/1073561251.db2.gz AITXNKZVOONJKZ-UHFFFAOYSA-N -1 3 380.379 3.704 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)n1 ZINC001472877066 1073707490 /nfs/dbraw/zinc/70/74/90/1073707490.db2.gz ALHMQNUDTPJVAU-AWEZNQCLSA-N -1 3 384.528 3.566 20 0 GHADHM O=C([N-]CC[C@H]1CN(CCSc2ccncc2)c2ccccc21)C(F)(F)F ZINC001473727317 1074110824 /nfs/dbraw/zinc/11/08/24/1074110824.db2.gz DQJVUSCYFXAPSN-AWEZNQCLSA-N -1 3 395.450 3.846 20 0 GHADHM Cc1ccc(N2CCC[C@H](NCc3cccc([O-])c3Br)C2=O)cc1 ZINC001474026847 1074240503 /nfs/dbraw/zinc/24/05/03/1074240503.db2.gz NXHHNPSUYWVJDN-INIZCTEOSA-N -1 3 389.293 3.748 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001474932188 1074638135 /nfs/dbraw/zinc/63/81/35/1074638135.db2.gz KXJRQCPNRZIQLG-CYBMUJFWSA-N -1 3 390.436 3.741 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(F)cc1Br ZINC001474981449 1074665846 /nfs/dbraw/zinc/66/58/46/1074665846.db2.gz OUDBMPFLTYAJSU-CZUORRHYSA-N -1 3 398.297 3.806 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cc(Cl)cc(Cl)c2)c(F)cc1F ZINC001474996364 1074675670 /nfs/dbraw/zinc/67/56/70/1074675670.db2.gz SHTIUUHJNWQQDC-AWEZNQCLSA-N -1 3 396.242 3.592 20 0 GHADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001475049677 1074710030 /nfs/dbraw/zinc/71/00/30/1074710030.db2.gz UVCRYGOELODFLM-STQMWFEESA-N -1 3 386.926 3.555 20 0 GHADHM CCCOC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1 ZINC001475055519 1074713580 /nfs/dbraw/zinc/71/35/80/1074713580.db2.gz ZUGWKKYYOUAULF-UHFFFAOYSA-N -1 3 396.372 3.918 20 0 GHADHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001475076194 1074725970 /nfs/dbraw/zinc/72/59/70/1074725970.db2.gz NLHGAPURHJIBQJ-UHFFFAOYSA-N -1 3 392.830 3.892 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC2CCC(C(C)C)CC2)c1 ZINC001475081597 1074729189 /nfs/dbraw/zinc/72/91/89/1074729189.db2.gz LVADWTRHWSDPOL-UHFFFAOYSA-N -1 3 385.501 3.661 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)c2ccccc21 ZINC001475082788 1074729681 /nfs/dbraw/zinc/72/96/81/1074729681.db2.gz VEYLREAAMZCZIZ-GFCCVEGCSA-N -1 3 399.285 3.684 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-]CC1(c2cccc(Br)c2)CCCC1 ZINC001475116122 1074743496 /nfs/dbraw/zinc/74/34/96/1074743496.db2.gz YNOSIKUQJMPBRA-UHFFFAOYSA-N -1 3 399.310 3.536 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1ccccn1 ZINC001475162922 1074764304 /nfs/dbraw/zinc/76/43/04/1074764304.db2.gz WRXLZUPCGABEKI-MRXNPFEDSA-N -1 3 394.905 3.873 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(OC(F)(F)F)c1F ZINC001475239054 1074799992 /nfs/dbraw/zinc/79/99/92/1074799992.db2.gz HEEWCVSZLZAANW-NWDGAFQWSA-N -1 3 393.333 3.698 20 0 GHADHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C1CC1 ZINC001475300910 1074827853 /nfs/dbraw/zinc/82/78/53/1074827853.db2.gz ULRRGLVIZDGFFP-ZANVPECISA-N -1 3 396.734 3.503 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(C(F)(F)F)c1)c1csnc1-c1ccccc1 ZINC001475313007 1074830859 /nfs/dbraw/zinc/83/08/59/1074830859.db2.gz LLNJZPRSBJJFTH-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM CC/C=C/C[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001475335003 1074838278 /nfs/dbraw/zinc/83/82/78/1074838278.db2.gz FOOBKNAKTLYRSE-SNAWJCMRSA-N -1 3 397.132 3.765 20 0 GHADHM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C)cnc2Cl)cc1 ZINC001475367649 1074851358 /nfs/dbraw/zinc/85/13/58/1074851358.db2.gz FFGCEARWDGEVQM-CYBMUJFWSA-N -1 3 382.913 3.599 20 0 GHADHM CC[C@@H](OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC001475463222 1074883398 /nfs/dbraw/zinc/88/33/98/1074883398.db2.gz PFTUIXIEYDINPA-OAHLLOKOSA-N -1 3 389.304 3.835 20 0 GHADHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001475484907 1074891557 /nfs/dbraw/zinc/89/15/57/1074891557.db2.gz LPOXKBXVSCIVLC-UHFFFAOYSA-N -1 3 390.958 3.805 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC001475540331 1074908434 /nfs/dbraw/zinc/90/84/34/1074908434.db2.gz RGOUKSQMDLPMHX-UHFFFAOYSA-N -1 3 395.912 3.534 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c(C)c1Cl ZINC001475578859 1074918881 /nfs/dbraw/zinc/91/88/81/1074918881.db2.gz VGWKXILOFYIIOE-NSHDSACASA-N -1 3 377.915 3.521 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC3(CCC3)CO2)c1Cl ZINC001475676479 1074998242 /nfs/dbraw/zinc/99/82/42/1074998242.db2.gz IYEVREJRUCCLBK-GFCCVEGCSA-N -1 3 378.321 3.929 20 0 GHADHM CCOC(=O)[C@@H](C[C@H](C)CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001475681643 1074999253 /nfs/dbraw/zinc/99/92/53/1074999253.db2.gz XEQSYFALGQGSBN-ZYHUDNBSSA-N -1 3 382.309 3.640 20 0 GHADHM CCc1noc([C@H]2CC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC001475750572 1075014667 /nfs/dbraw/zinc/01/46/67/1075014667.db2.gz JYPIGNWIRWTOIU-ONGXEEELSA-N -1 3 390.292 3.553 20 0 GHADHM COc1cc([C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc2ccccc21 ZINC001475758704 1075015713 /nfs/dbraw/zinc/01/57/13/1075015713.db2.gz XTZRUPVDMSCLCF-YMXBGEKHSA-N -1 3 398.550 3.640 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000583621731 570801931 /nfs/dbraw/zinc/80/19/31/570801931.db2.gz DCWZBNULVPUZHG-KRWDZBQOSA-N -1 3 385.464 3.599 20 0 GHADHM CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736381731 598823415 /nfs/dbraw/zinc/82/34/15/598823415.db2.gz JXTCHRRBSDDWQZ-ZBEGNZNMSA-N -1 3 388.374 3.607 20 0 GHADHM CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736381731 598823417 /nfs/dbraw/zinc/82/34/17/598823417.db2.gz JXTCHRRBSDDWQZ-ZBEGNZNMSA-N -1 3 388.374 3.607 20 0 GHADHM CCOC(=O)CCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736591362 598825063 /nfs/dbraw/zinc/82/50/63/598825063.db2.gz BDINEPCPTQFTSX-UHFFFAOYSA-N -1 3 383.477 3.754 20 0 GHADHM CCOC(=O)CCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736591362 598825064 /nfs/dbraw/zinc/82/50/64/598825064.db2.gz BDINEPCPTQFTSX-UHFFFAOYSA-N -1 3 383.477 3.754 20 0 GHADHM CCc1ocnc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736714776 598831138 /nfs/dbraw/zinc/83/11/38/598831138.db2.gz ZTLQNCHAXJVKJU-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737824617 598836278 /nfs/dbraw/zinc/83/62/78/598836278.db2.gz RWOKLJDWZOYKDF-INIZCTEOSA-N -1 3 397.504 3.561 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@@H](C)CC2CCCC2)c1C ZINC000737504010 598840745 /nfs/dbraw/zinc/84/07/45/598840745.db2.gz SDWHPWWBEKKRAP-ZDUSSCGKSA-N -1 3 393.495 3.824 20 0 GHADHM O=C(CCc1cscn1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737860596 598847431 /nfs/dbraw/zinc/84/74/31/598847431.db2.gz KFKQZWLUFSIGCF-UHFFFAOYSA-N -1 3 391.456 3.666 20 0 GHADHM O=C(CCc1cscn1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737860596 598847433 /nfs/dbraw/zinc/84/74/33/598847433.db2.gz KFKQZWLUFSIGCF-UHFFFAOYSA-N -1 3 391.456 3.666 20 0 GHADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736654616 598850685 /nfs/dbraw/zinc/85/06/85/598850685.db2.gz HRNCVEWBVIMMAK-UHFFFAOYSA-N -1 3 382.424 3.697 20 0 GHADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736654616 598850686 /nfs/dbraw/zinc/85/06/86/598850686.db2.gz HRNCVEWBVIMMAK-UHFFFAOYSA-N -1 3 382.424 3.697 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736479924 598852007 /nfs/dbraw/zinc/85/20/07/598852007.db2.gz MJXUVQBDPDUSCI-UHFFFAOYSA-N -1 3 386.406 3.632 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736479924 598852009 /nfs/dbraw/zinc/85/20/09/598852009.db2.gz MJXUVQBDPDUSCI-UHFFFAOYSA-N -1 3 386.406 3.632 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158799 598857114 /nfs/dbraw/zinc/85/71/14/598857114.db2.gz SDUBTJDTSRNMIU-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158799 598857116 /nfs/dbraw/zinc/85/71/16/598857116.db2.gz SDUBTJDTSRNMIU-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737061757 598858776 /nfs/dbraw/zinc/85/87/76/598858776.db2.gz DSQGEQHNYCFMSI-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737061757 598858777 /nfs/dbraw/zinc/85/87/77/598858777.db2.gz DSQGEQHNYCFMSI-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM C[C@H](CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736026594 598863931 /nfs/dbraw/zinc/86/39/31/598863931.db2.gz VPBIMHDWQGAXAC-MRXNPFEDSA-N -1 3 399.454 3.731 20 0 GHADHM C[C@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)Oc1ccccc1 ZINC000736026594 598863932 /nfs/dbraw/zinc/86/39/32/598863932.db2.gz VPBIMHDWQGAXAC-MRXNPFEDSA-N -1 3 399.454 3.731 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CCCC1 ZINC000736124652 598865415 /nfs/dbraw/zinc/86/54/15/598865415.db2.gz VOSGJVOXZWLPBE-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CCCC1 ZINC000736124652 598865416 /nfs/dbraw/zinc/86/54/16/598865416.db2.gz VOSGJVOXZWLPBE-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000735662793 598888567 /nfs/dbraw/zinc/88/85/67/598888567.db2.gz XMYHNVHATICAPV-UHFFFAOYSA-N -1 3 393.451 3.534 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000735662793 598888568 /nfs/dbraw/zinc/88/85/68/598888568.db2.gz XMYHNVHATICAPV-UHFFFAOYSA-N -1 3 393.451 3.534 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc2ccccc2c1 ZINC000736037380 598888939 /nfs/dbraw/zinc/88/89/39/598888939.db2.gz KTSXHAASYDTKNV-HNNXBMFYSA-N -1 3 388.427 3.573 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc2ccccc2c1 ZINC000736037380 598888941 /nfs/dbraw/zinc/88/89/41/598888941.db2.gz KTSXHAASYDTKNV-HNNXBMFYSA-N -1 3 388.427 3.573 20 0 GHADHM O=C(NCc1ccsc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738125303 598889078 /nfs/dbraw/zinc/88/90/78/598889078.db2.gz YGMOWOXDSCBCGR-UHFFFAOYSA-N -1 3 396.501 3.656 20 0 GHADHM CCc1nnc([C@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000736706452 598902116 /nfs/dbraw/zinc/90/21/16/598902116.db2.gz LSIKJUNWBFPXBR-NSHDSACASA-N -1 3 379.449 3.727 20 0 GHADHM CCc1nnc([C@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000736706452 598902118 /nfs/dbraw/zinc/90/21/18/598902118.db2.gz LSIKJUNWBFPXBR-NSHDSACASA-N -1 3 379.449 3.727 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737449673 598903927 /nfs/dbraw/zinc/90/39/27/598903927.db2.gz XQRJZWLIAYKELN-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737449673 598903929 /nfs/dbraw/zinc/90/39/29/598903929.db2.gz XQRJZWLIAYKELN-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735925044 598911102 /nfs/dbraw/zinc/91/11/02/598911102.db2.gz WPHCWVAVJAULSV-PMACEKPBSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735925044 598911104 /nfs/dbraw/zinc/91/11/04/598911104.db2.gz WPHCWVAVJAULSV-PMACEKPBSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924833 598912303 /nfs/dbraw/zinc/91/23/03/598912303.db2.gz VTABKHJALKCXJW-MSOLQXFVSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924833 598912304 /nfs/dbraw/zinc/91/23/04/598912304.db2.gz VTABKHJALKCXJW-MSOLQXFVSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000735735720 598912544 /nfs/dbraw/zinc/91/25/44/598912544.db2.gz UQJQXIYJQUWZFH-DENIHFKCSA-N -1 3 395.507 3.619 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000735735720 598912545 /nfs/dbraw/zinc/91/25/45/598912545.db2.gz UQJQXIYJQUWZFH-DENIHFKCSA-N -1 3 395.507 3.619 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1coc2ccccc12 ZINC000735905160 598922505 /nfs/dbraw/zinc/92/25/05/598922505.db2.gz FVCFUZSGPYAAGC-UHFFFAOYSA-N -1 3 392.419 3.722 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1coc2ccccc12 ZINC000735905160 598922506 /nfs/dbraw/zinc/92/25/06/598922506.db2.gz FVCFUZSGPYAAGC-UHFFFAOYSA-N -1 3 392.419 3.722 20 0 GHADHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000736742954 598926165 /nfs/dbraw/zinc/92/61/65/598926165.db2.gz VIMGQZOAZOUNBH-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000736742954 598926167 /nfs/dbraw/zinc/92/61/67/598926167.db2.gz VIMGQZOAZOUNBH-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CCCC(O)(CCC)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736437250 598929739 /nfs/dbraw/zinc/92/97/39/598929739.db2.gz VORBPQWUAWRISK-UHFFFAOYSA-N -1 3 393.491 3.595 20 0 GHADHM CCCC(O)(CCC)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736437250 598929741 /nfs/dbraw/zinc/92/97/41/598929741.db2.gz VORBPQWUAWRISK-UHFFFAOYSA-N -1 3 393.491 3.595 20 0 GHADHM C[C@@H](Cc1cccc(Br)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736058161 598937903 /nfs/dbraw/zinc/93/79/03/598937903.db2.gz LMEJSMHWGMUIPP-VIFPVBQESA-N -1 3 393.676 3.721 20 0 GHADHM C[C@@H](Cc1cccc(Br)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736058161 598937904 /nfs/dbraw/zinc/93/79/04/598937904.db2.gz LMEJSMHWGMUIPP-VIFPVBQESA-N -1 3 393.676 3.721 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc2ccccc2n1 ZINC000737033581 598939057 /nfs/dbraw/zinc/93/90/57/598939057.db2.gz XWOMMDCABZOARL-UHFFFAOYSA-N -1 3 379.445 3.595 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc2ccccc2n1 ZINC000737033581 598939058 /nfs/dbraw/zinc/93/90/58/598939058.db2.gz XWOMMDCABZOARL-UHFFFAOYSA-N -1 3 379.445 3.595 20 0 GHADHM Cc1ccc(-c2nc(CCNc3ncc(-c4nnn[n-]4)cc3Cl)co2)cc1 ZINC000737287029 598939898 /nfs/dbraw/zinc/93/98/98/598939898.db2.gz BUXFOJCTRZVNSM-UHFFFAOYSA-N -1 3 381.827 3.533 20 0 GHADHM Cc1ccc(-c2nc(CCNc3ncc(-c4nn[n-]n4)cc3Cl)co2)cc1 ZINC000737287029 598939899 /nfs/dbraw/zinc/93/98/99/598939899.db2.gz BUXFOJCTRZVNSM-UHFFFAOYSA-N -1 3 381.827 3.533 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000737997421 598944890 /nfs/dbraw/zinc/94/48/90/598944890.db2.gz VQGNFLAXGXDMKE-FQEVSTJZSA-N -1 3 387.418 3.720 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000737997421 598944893 /nfs/dbraw/zinc/94/48/93/598944893.db2.gz VQGNFLAXGXDMKE-FQEVSTJZSA-N -1 3 387.418 3.720 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737425617 598963695 /nfs/dbraw/zinc/96/36/95/598963695.db2.gz BYRHISYVWOAANA-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737425617 598963696 /nfs/dbraw/zinc/96/36/96/598963696.db2.gz BYRHISYVWOAANA-UZLBHIALSA-N -1 3 390.491 3.653 20 0 GHADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737953796 598981362 /nfs/dbraw/zinc/98/13/62/598981362.db2.gz BIDRSDZMHCIDRT-UHFFFAOYSA-N -1 3 396.451 3.609 20 0 GHADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737953796 598981363 /nfs/dbraw/zinc/98/13/63/598981363.db2.gz BIDRSDZMHCIDRT-UHFFFAOYSA-N -1 3 396.451 3.609 20 0 GHADHM CCN(CC(C)C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736511200 598989960 /nfs/dbraw/zinc/98/99/60/598989960.db2.gz BDSNICRCFVBKIT-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CCN(CC(C)C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736511200 598989962 /nfs/dbraw/zinc/98/99/62/598989962.db2.gz BDSNICRCFVBKIT-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@@H](CC)c1cccs1 ZINC000736635764 599014591 /nfs/dbraw/zinc/01/45/91/599014591.db2.gz YRNYIPGNOSOTJY-LBPRGKRZSA-N -1 3 388.522 3.765 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@@H](CC)c1cccs1 ZINC000736635764 599014593 /nfs/dbraw/zinc/01/45/93/599014593.db2.gz YRNYIPGNOSOTJY-LBPRGKRZSA-N -1 3 388.522 3.765 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1CC ZINC000736478769 599013823 /nfs/dbraw/zinc/01/38/23/599013823.db2.gz BXRMGNLCTSYJLZ-UHFFFAOYSA-N -1 3 378.480 3.551 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1CC ZINC000736478769 599013825 /nfs/dbraw/zinc/01/38/25/599013825.db2.gz BXRMGNLCTSYJLZ-UHFFFAOYSA-N -1 3 378.480 3.551 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N(CC1CC1)CC1CC1 ZINC000738275009 599018233 /nfs/dbraw/zinc/01/82/33/599018233.db2.gz ZPXGJUWOEUYANM-UHFFFAOYSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N(CC1CC1)CC1CC1 ZINC000738275009 599018235 /nfs/dbraw/zinc/01/82/35/599018235.db2.gz ZPXGJUWOEUYANM-UHFFFAOYSA-N -1 3 389.459 3.921 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCOc3c(Cl)cccc32)n1 ZINC000737630976 599047914 /nfs/dbraw/zinc/04/79/14/599047914.db2.gz ADICEFKJPBWKAA-NSHDSACASA-N -1 3 396.760 3.870 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCOc3c(Cl)cccc32)n1 ZINC000737630976 599047917 /nfs/dbraw/zinc/04/79/17/599047917.db2.gz ADICEFKJPBWKAA-NSHDSACASA-N -1 3 396.760 3.870 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000736110284 599062319 /nfs/dbraw/zinc/06/23/19/599062319.db2.gz HNMMTFSOEDLEPW-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736110284 599062321 /nfs/dbraw/zinc/06/23/21/599062321.db2.gz HNMMTFSOEDLEPW-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000736478941 599070430 /nfs/dbraw/zinc/07/04/30/599070430.db2.gz GSXQWCFRDQBWDO-IAGOWNOFSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000736478941 599070432 /nfs/dbraw/zinc/07/04/32/599070432.db2.gz GSXQWCFRDQBWDO-IAGOWNOFSA-N -1 3 397.429 3.687 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736244484 599071078 /nfs/dbraw/zinc/07/10/78/599071078.db2.gz IMWFAGGYOLEHTH-DZGCQCFKSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000736267979 599082702 /nfs/dbraw/zinc/08/27/02/599082702.db2.gz VMMCVLOFPGJHPY-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)[C@H]1C ZINC000736267979 599082705 /nfs/dbraw/zinc/08/27/05/599082705.db2.gz VMMCVLOFPGJHPY-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736427212 599084479 /nfs/dbraw/zinc/08/44/79/599084479.db2.gz VQEQJWGCQZESFC-LPHOPBHVSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736425184 599084521 /nfs/dbraw/zinc/08/45/21/599084521.db2.gz FCJCDGBCTVXPQB-AEFFLSMTSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736425184 599084523 /nfs/dbraw/zinc/08/45/23/599084523.db2.gz FCJCDGBCTVXPQB-AEFFLSMTSA-N -1 3 393.491 3.552 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736686235 599084770 /nfs/dbraw/zinc/08/47/70/599084770.db2.gz OSGOVEBPWOUQQQ-LVMGUKCRSA-N -1 3 377.448 3.789 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736686235 599084772 /nfs/dbraw/zinc/08/47/72/599084772.db2.gz OSGOVEBPWOUQQQ-LVMGUKCRSA-N -1 3 377.448 3.789 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736243973 599087264 /nfs/dbraw/zinc/08/72/64/599087264.db2.gz BMPCPWPYGBEXAU-HUUCEWRRSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736243973 599087267 /nfs/dbraw/zinc/08/72/67/599087267.db2.gz BMPCPWPYGBEXAU-HUUCEWRRSA-N -1 3 395.463 3.689 20 0 GHADHM NC(=O)[C@H](Nc1ccc(SC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737113 599089755 /nfs/dbraw/zinc/08/97/55/599089755.db2.gz OFXBMKVCNGPNAG-GOSISDBHSA-N -1 3 394.504 3.540 20 0 GHADHM NC(=O)[C@H](Nc1ccc(SC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737113 599089759 /nfs/dbraw/zinc/08/97/59/599089759.db2.gz OFXBMKVCNGPNAG-GOSISDBHSA-N -1 3 394.504 3.540 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737389280 599103648 /nfs/dbraw/zinc/10/36/48/599103648.db2.gz KQDJVNYCKWDUCO-IBGZPJMESA-N -1 3 393.516 3.939 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737389280 599103649 /nfs/dbraw/zinc/10/36/49/599103649.db2.gz KQDJVNYCKWDUCO-IBGZPJMESA-N -1 3 393.516 3.939 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1ccc(OCC(F)(F)F)nc1 ZINC000822744036 607258492 /nfs/dbraw/zinc/25/84/92/607258492.db2.gz KIJMLTHMNQFSMU-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1ccc(OCC(F)(F)F)nc1 ZINC000822744036 607258493 /nfs/dbraw/zinc/25/84/93/607258493.db2.gz KIJMLTHMNQFSMU-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822233086 599108260 /nfs/dbraw/zinc/10/82/60/599108260.db2.gz HSCFHKCMRUFUDD-WMLDXEAASA-N -1 3 384.871 3.803 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822233086 599108264 /nfs/dbraw/zinc/10/82/64/599108264.db2.gz HSCFHKCMRUFUDD-WMLDXEAASA-N -1 3 384.871 3.803 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C\C1CC1 ZINC000822205776 599153088 /nfs/dbraw/zinc/15/30/88/599153088.db2.gz IESRLGOUIDAXCU-YFHOEESVSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C\C1CC1 ZINC000822205776 599153090 /nfs/dbraw/zinc/15/30/90/599153090.db2.gz IESRLGOUIDAXCU-YFHOEESVSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000822227459 599153781 /nfs/dbraw/zinc/15/37/81/599153781.db2.gz JSNVMWFNCCUEPO-CYBMUJFWSA-N -1 3 393.472 3.917 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cc(Cl)ccc1Br ZINC000822761421 599157130 /nfs/dbraw/zinc/15/71/30/599157130.db2.gz MAPSJBSUTNIGND-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM O=C(O[C@H](c1ccc(Br)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738215377 599157648 /nfs/dbraw/zinc/15/76/48/599157648.db2.gz QUWIIEKFGZWPHA-INIZCTEOSA-N -1 3 399.248 3.937 20 0 GHADHM O=C(O[C@H](c1ccc(Br)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738215377 599157651 /nfs/dbraw/zinc/15/76/51/599157651.db2.gz QUWIIEKFGZWPHA-INIZCTEOSA-N -1 3 399.248 3.937 20 0 GHADHM Brc1cccc(-c2cnc(COc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000735367994 599158275 /nfs/dbraw/zinc/15/82/75/599158275.db2.gz DFIYGUWAQKCAEM-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1cccc(-c2cnc(COc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000735367994 599158277 /nfs/dbraw/zinc/15/82/77/599158277.db2.gz DFIYGUWAQKCAEM-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccccc2F)o1 ZINC000736628343 599159531 /nfs/dbraw/zinc/15/95/31/599159531.db2.gz WOGPQGALWAJDEV-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccccc2F)o1 ZINC000736628343 599159534 /nfs/dbraw/zinc/15/95/34/599159534.db2.gz WOGPQGALWAJDEV-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000735904921 599159797 /nfs/dbraw/zinc/15/97/97/599159797.db2.gz WPKAHLDDPJPSKT-ZDUSSCGKSA-N -1 3 383.427 3.925 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000735904921 599159799 /nfs/dbraw/zinc/15/97/99/599159799.db2.gz WPKAHLDDPJPSKT-ZDUSSCGKSA-N -1 3 383.427 3.925 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000736670742 599160193 /nfs/dbraw/zinc/16/01/93/599160193.db2.gz QCHXTGGWFKNAGV-MNOVXSKESA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000736670742 599160196 /nfs/dbraw/zinc/16/01/96/599160196.db2.gz QCHXTGGWFKNAGV-MNOVXSKESA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000736670741 599160627 /nfs/dbraw/zinc/16/06/27/599160627.db2.gz QCHXTGGWFKNAGV-GHMZBOCLSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000736670741 599160629 /nfs/dbraw/zinc/16/06/29/599160629.db2.gz QCHXTGGWFKNAGV-GHMZBOCLSA-N -1 3 389.431 3.819 20 0 GHADHM CC(C)c1ccc(SCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192749 599165420 /nfs/dbraw/zinc/16/54/20/599165420.db2.gz XYBYGCQBJHZWJN-UHFFFAOYSA-N -1 3 385.468 3.538 20 0 GHADHM CC(C)c1ccc(SCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192749 599165423 /nfs/dbraw/zinc/16/54/23/599165423.db2.gz XYBYGCQBJHZWJN-UHFFFAOYSA-N -1 3 385.468 3.538 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCCCC1 ZINC000735735948 599168057 /nfs/dbraw/zinc/16/80/57/599168057.db2.gz QXYOJKBEYXORCC-INIZCTEOSA-N -1 3 377.489 3.571 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCCCC1 ZINC000735735948 599168060 /nfs/dbraw/zinc/16/80/60/599168060.db2.gz QXYOJKBEYXORCC-INIZCTEOSA-N -1 3 377.489 3.571 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000735735966 599168103 /nfs/dbraw/zinc/16/81/03/599168103.db2.gz RALNWEGCJXCHMH-MJEQTWJJSA-N -1 3 391.516 3.817 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000735735966 599168106 /nfs/dbraw/zinc/16/81/06/599168106.db2.gz RALNWEGCJXCHMH-MJEQTWJJSA-N -1 3 391.516 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735625888 599168741 /nfs/dbraw/zinc/16/87/41/599168741.db2.gz GTDRWSDWQFMLLF-UHFFFAOYSA-N -1 3 393.488 3.745 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735625888 599168742 /nfs/dbraw/zinc/16/87/42/599168742.db2.gz GTDRWSDWQFMLLF-UHFFFAOYSA-N -1 3 393.488 3.745 20 0 GHADHM Cc1ccc([C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000737321077 599171316 /nfs/dbraw/zinc/17/13/16/599171316.db2.gz YRQNOUMHJRGGQV-IBGZPJMESA-N -1 3 397.479 3.674 20 0 GHADHM Cc1ccc([C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000737321077 599171317 /nfs/dbraw/zinc/17/13/17/599171317.db2.gz YRQNOUMHJRGGQV-IBGZPJMESA-N -1 3 397.479 3.674 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c(C)c1 ZINC000737072900 599178436 /nfs/dbraw/zinc/17/84/36/599178436.db2.gz WUFOVSZSUGHXQH-JTQLQIEISA-N -1 3 383.477 3.622 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c(C)c1 ZINC000737072900 599178438 /nfs/dbraw/zinc/17/84/38/599178438.db2.gz WUFOVSZSUGHXQH-JTQLQIEISA-N -1 3 383.477 3.622 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737338113 599176539 /nfs/dbraw/zinc/17/65/39/599176539.db2.gz NFFOPADKAVSZGV-SNVBAGLBSA-N -1 3 390.900 3.729 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737338113 599176541 /nfs/dbraw/zinc/17/65/41/599176541.db2.gz NFFOPADKAVSZGV-SNVBAGLBSA-N -1 3 390.900 3.729 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1cccc(F)c1 ZINC000736280892 599177633 /nfs/dbraw/zinc/17/76/33/599177633.db2.gz QYTBCKUBLCFLGK-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1cccc(F)c1 ZINC000736280892 599177635 /nfs/dbraw/zinc/17/76/35/599177635.db2.gz QYTBCKUBLCFLGK-WDEREUQCSA-N -1 3 385.468 3.934 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2cccc(Cl)c2)CCCC1 ZINC000823235122 599184349 /nfs/dbraw/zinc/18/43/49/599184349.db2.gz RPFSMZVLSUKWJQ-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2cccc(Cl)c2)CCCC1 ZINC000823235122 599184351 /nfs/dbraw/zinc/18/43/51/599184351.db2.gz RPFSMZVLSUKWJQ-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM CCC(CC)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820893158 599184978 /nfs/dbraw/zinc/18/49/78/599184978.db2.gz LCVNCHCUFCNEBW-FQEVSTJZSA-N -1 3 378.480 3.572 20 0 GHADHM COc1ccc2sc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737120965 599182823 /nfs/dbraw/zinc/18/28/23/599182823.db2.gz VJGDZYUIYVGUFX-GFCCVEGCSA-N -1 3 393.472 3.889 20 0 GHADHM COc1ccc2sc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737120965 599182826 /nfs/dbraw/zinc/18/28/26/599182826.db2.gz VJGDZYUIYVGUFX-GFCCVEGCSA-N -1 3 393.472 3.889 20 0 GHADHM CCCCCC[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736445678 599188968 /nfs/dbraw/zinc/18/89/68/599188968.db2.gz LZXUZVRCJCEPMH-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCCC[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736445678 599188970 /nfs/dbraw/zinc/18/89/70/599188970.db2.gz LZXUZVRCJCEPMH-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000736036731 599190337 /nfs/dbraw/zinc/19/03/37/599190337.db2.gz HFMROPJNLTXGAN-UONOGXRCSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000736036731 599190340 /nfs/dbraw/zinc/19/03/40/599190340.db2.gz HFMROPJNLTXGAN-UONOGXRCSA-N -1 3 384.411 3.510 20 0 GHADHM CCN(C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000736507998 599194953 /nfs/dbraw/zinc/19/49/53/599194953.db2.gz HZCPFXUDWUEJLW-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM c1coc([C@H]2COCCN2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000738449129 599209551 /nfs/dbraw/zinc/20/95/51/599209551.db2.gz SMWRZBHFBLMQPC-HXUWFJFHSA-N -1 3 387.443 3.700 20 0 GHADHM c1coc([C@H]2COCCN2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000738449129 599209552 /nfs/dbraw/zinc/20/95/52/599209552.db2.gz SMWRZBHFBLMQPC-HXUWFJFHSA-N -1 3 387.443 3.700 20 0 GHADHM O=C(Nc1cccc2nccn21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738183582 599211740 /nfs/dbraw/zinc/21/17/40/599211740.db2.gz KBYTWNITWORGRR-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736958318 599212520 /nfs/dbraw/zinc/21/25/20/599212520.db2.gz QNOPCOXJFHTUQN-CQSZACIVSA-N -1 3 395.463 3.592 20 0 GHADHM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736958318 599212524 /nfs/dbraw/zinc/21/25/24/599212524.db2.gz QNOPCOXJFHTUQN-CQSZACIVSA-N -1 3 395.463 3.592 20 0 GHADHM O=C(OCC(F)F)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738221894 599217667 /nfs/dbraw/zinc/21/76/67/599217667.db2.gz ZSAHXYDBEZQVOE-UHFFFAOYSA-N -1 3 380.738 3.734 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccnc(F)c1 ZINC000823356381 599220380 /nfs/dbraw/zinc/22/03/80/599220380.db2.gz LDLNEBSGBOWWGR-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccnc(F)c1 ZINC000823356381 599220382 /nfs/dbraw/zinc/22/03/82/599220382.db2.gz LDLNEBSGBOWWGR-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821481548 599220996 /nfs/dbraw/zinc/22/09/96/599220996.db2.gz KWRSNVPTJBAJSB-KXBFYZLASA-N -1 3 393.491 3.955 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821481548 599220999 /nfs/dbraw/zinc/22/09/99/599220999.db2.gz KWRSNVPTJBAJSB-KXBFYZLASA-N -1 3 393.491 3.955 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000822233620 599231081 /nfs/dbraw/zinc/23/10/81/599231081.db2.gz SBUQOALZCKKPIW-LRDDRELGSA-N -1 3 382.493 3.938 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000822233620 599231083 /nfs/dbraw/zinc/23/10/83/599231083.db2.gz SBUQOALZCKKPIW-LRDDRELGSA-N -1 3 382.493 3.938 20 0 GHADHM O=C(Nc1ccccc1-c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823368349 607262388 /nfs/dbraw/zinc/26/23/88/607262388.db2.gz VCEJGWHJMTUMTJ-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccccc1-c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823368349 607262389 /nfs/dbraw/zinc/26/23/89/607262389.db2.gz VCEJGWHJMTUMTJ-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM COc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)cc1 ZINC000821732803 607268334 /nfs/dbraw/zinc/26/83/34/607268334.db2.gz UTFJZEWBYBPNMB-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(-c2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)cc1 ZINC000821732803 607268335 /nfs/dbraw/zinc/26/83/35/607268335.db2.gz UTFJZEWBYBPNMB-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3ccc(F)cc3)n2)cccc1-c1nnn[n-]1 ZINC000822115777 607268057 /nfs/dbraw/zinc/26/80/57/607268057.db2.gz IXEJHCQHXKAJHS-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3ccc(F)cc3)n2)cccc1-c1nn[n-]n1 ZINC000822115777 607268058 /nfs/dbraw/zinc/26/80/58/607268058.db2.gz IXEJHCQHXKAJHS-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737817634 599246834 /nfs/dbraw/zinc/24/68/34/599246834.db2.gz CTVUVPXVNWWWBQ-LBPRGKRZSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737817634 599246836 /nfs/dbraw/zinc/24/68/36/599246836.db2.gz CTVUVPXVNWWWBQ-LBPRGKRZSA-N -1 3 395.488 3.702 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821782802 607279526 /nfs/dbraw/zinc/27/95/26/607279526.db2.gz OFPBTUBDITYIOS-GOSISDBHSA-N -1 3 378.436 3.553 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821782802 607279527 /nfs/dbraw/zinc/27/95/27/607279527.db2.gz OFPBTUBDITYIOS-GOSISDBHSA-N -1 3 378.436 3.553 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cccc1-c1nnn[n-]1 ZINC000822084662 607284889 /nfs/dbraw/zinc/28/48/89/607284889.db2.gz NBCCIJSSUSYUII-CQSZACIVSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cccc1-c1nn[n-]n1 ZINC000822084662 607284890 /nfs/dbraw/zinc/28/48/90/607284890.db2.gz NBCCIJSSUSYUII-CQSZACIVSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cccc1-c1nnn[n-]1 ZINC000822092186 607289459 /nfs/dbraw/zinc/28/94/59/607289459.db2.gz VPXUICJCRFKIFX-MRXNPFEDSA-N -1 3 396.426 3.738 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cccc1-c1nn[n-]n1 ZINC000822092186 607289460 /nfs/dbraw/zinc/28/94/60/607289460.db2.gz VPXUICJCRFKIFX-MRXNPFEDSA-N -1 3 396.426 3.738 20 0 GHADHM Cc1c(NC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822090643 607291688 /nfs/dbraw/zinc/29/16/88/607291688.db2.gz LMMHIPRVAXOEEB-NSHDSACASA-N -1 3 384.390 3.605 20 0 GHADHM Cc1c(NC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822090643 607291689 /nfs/dbraw/zinc/29/16/89/607291689.db2.gz LMMHIPRVAXOEEB-NSHDSACASA-N -1 3 384.390 3.605 20 0 GHADHM Cc1c(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822090641 607291862 /nfs/dbraw/zinc/29/18/62/607291862.db2.gz LMMHIPRVAXOEEB-LLVKDONJSA-N -1 3 384.390 3.605 20 0 GHADHM Cc1c(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822090641 607291863 /nfs/dbraw/zinc/29/18/63/607291863.db2.gz LMMHIPRVAXOEEB-LLVKDONJSA-N -1 3 384.390 3.605 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822233742 607294304 /nfs/dbraw/zinc/29/43/04/607294304.db2.gz UKOVLHVGWJLLBA-MJGOQNOKSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822233742 607294305 /nfs/dbraw/zinc/29/43/05/607294305.db2.gz UKOVLHVGWJLLBA-MJGOQNOKSA-N -1 3 377.448 3.590 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820667329 599260301 /nfs/dbraw/zinc/26/03/01/599260301.db2.gz LVQJGHXMNAJGCI-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820667329 599260304 /nfs/dbraw/zinc/26/03/04/599260304.db2.gz LVQJGHXMNAJGCI-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000820919451 599262663 /nfs/dbraw/zinc/26/26/63/599262663.db2.gz CBBVWFFROCXUAQ-KXBFYZLASA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000820919451 599262667 /nfs/dbraw/zinc/26/26/67/599262667.db2.gz CBBVWFFROCXUAQ-KXBFYZLASA-N -1 3 392.507 3.983 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822578647 607313667 /nfs/dbraw/zinc/31/36/67/607313667.db2.gz MRVJTGSJIFSVAZ-LBPRGKRZSA-N -1 3 391.884 3.752 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000819932982 607314633 /nfs/dbraw/zinc/31/46/33/607314633.db2.gz AGYXSSCMWOKUGX-UHFFFAOYSA-N -1 3 398.492 3.838 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820875976 599266588 /nfs/dbraw/zinc/26/65/88/599266588.db2.gz JMCJCRXEUKRROQ-KGLIPLIRSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820875976 599266591 /nfs/dbraw/zinc/26/65/91/599266591.db2.gz JMCJCRXEUKRROQ-KGLIPLIRSA-N -1 3 380.452 3.927 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000822220574 599273978 /nfs/dbraw/zinc/27/39/78/599273978.db2.gz XHZYYDGCCHTXQI-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000822220574 599273979 /nfs/dbraw/zinc/27/39/79/599273979.db2.gz XHZYYDGCCHTXQI-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1OC ZINC000736487809 599276570 /nfs/dbraw/zinc/27/65/70/599276570.db2.gz KJLJDRYNSPIMFG-CQSZACIVSA-N -1 3 394.479 3.830 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000822929426 607320407 /nfs/dbraw/zinc/32/04/07/607320407.db2.gz UGGFSRVOUJFHBQ-SCEWNMGZSA-N -1 3 395.413 3.912 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000822929426 607320408 /nfs/dbraw/zinc/32/04/08/607320408.db2.gz UGGFSRVOUJFHBQ-SCEWNMGZSA-N -1 3 395.413 3.912 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820380777 599281403 /nfs/dbraw/zinc/28/14/03/599281403.db2.gz ZRMTTYIXTBZVHR-ZDUSSCGKSA-N -1 3 380.452 3.927 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820380777 599281406 /nfs/dbraw/zinc/28/14/06/599281406.db2.gz ZRMTTYIXTBZVHR-ZDUSSCGKSA-N -1 3 380.452 3.927 20 0 GHADHM CCCn1ccc2ccc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821148195 599283867 /nfs/dbraw/zinc/28/38/67/599283867.db2.gz MGYGBKLGYNKCDJ-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM CCCn1ccc2ccc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821148195 599283869 /nfs/dbraw/zinc/28/38/69/599283869.db2.gz MGYGBKLGYNKCDJ-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823246202 599287695 /nfs/dbraw/zinc/28/76/95/599287695.db2.gz HCWMETOJSMCBEX-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823246202 599287697 /nfs/dbraw/zinc/28/76/97/599287697.db2.gz HCWMETOJSMCBEX-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nccs1 ZINC000820919866 599289586 /nfs/dbraw/zinc/28/95/86/599289586.db2.gz GXZGKRLVHWMWBK-NSHDSACASA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccs1 ZINC000820919866 599289589 /nfs/dbraw/zinc/28/95/89/599289589.db2.gz GXZGKRLVHWMWBK-NSHDSACASA-N -1 3 397.386 3.615 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000822979230 607321334 /nfs/dbraw/zinc/32/13/34/607321334.db2.gz ZTURBKZSLMLQCF-IBGZPJMESA-N -1 3 397.429 3.831 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000822979230 607321335 /nfs/dbraw/zinc/32/13/35/607321335.db2.gz ZTURBKZSLMLQCF-IBGZPJMESA-N -1 3 397.429 3.831 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3nc(C)cc(C)c3-c3nnn[n-]3)cc2)n1 ZINC000822193226 607328544 /nfs/dbraw/zinc/32/85/44/607328544.db2.gz PECOFAVZXKNCPI-INIZCTEOSA-N -1 3 388.479 3.854 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3nc(C)cc(C)c3-c3nn[n-]n3)cc2)n1 ZINC000822193226 607328545 /nfs/dbraw/zinc/32/85/45/607328545.db2.gz PECOFAVZXKNCPI-INIZCTEOSA-N -1 3 388.479 3.854 20 0 GHADHM Cc1cn(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000822384061 607329732 /nfs/dbraw/zinc/32/97/32/607329732.db2.gz GMFUKGOORYXEPI-LJQANCHMSA-N -1 3 392.507 3.638 20 0 GHADHM Cc1cn(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000822384061 607329733 /nfs/dbraw/zinc/32/97/33/607329733.db2.gz GMFUKGOORYXEPI-LJQANCHMSA-N -1 3 392.507 3.638 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737849381 598262552 /nfs/dbraw/zinc/26/25/52/598262552.db2.gz CZVMQEDZQWCBJY-UHFFFAOYSA-N -1 3 397.485 3.702 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737849381 598262554 /nfs/dbraw/zinc/26/25/54/598262554.db2.gz CZVMQEDZQWCBJY-UHFFFAOYSA-N -1 3 397.485 3.702 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)c1 ZINC000821842063 607346683 /nfs/dbraw/zinc/34/66/83/607346683.db2.gz NLIXKXNXCWDZML-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1 ZINC000821842063 607346685 /nfs/dbraw/zinc/34/66/85/607346685.db2.gz NLIXKXNXCWDZML-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736829849 598275184 /nfs/dbraw/zinc/27/51/84/598275184.db2.gz LJPUFGJJDGIVJZ-UHFFFAOYSA-N -1 3 399.380 3.708 20 0 GHADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736829849 598275186 /nfs/dbraw/zinc/27/51/86/598275186.db2.gz LJPUFGJJDGIVJZ-UHFFFAOYSA-N -1 3 399.380 3.708 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccs1)C1CC1 ZINC000735661949 598277779 /nfs/dbraw/zinc/27/77/79/598277779.db2.gz YYMTYLYHGLJDOY-UHFFFAOYSA-N -1 3 385.497 3.681 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1cccs1)C1CC1 ZINC000735661949 598277781 /nfs/dbraw/zinc/27/77/81/598277781.db2.gz YYMTYLYHGLJDOY-UHFFFAOYSA-N -1 3 385.497 3.681 20 0 GHADHM CN(C(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736750448 598280818 /nfs/dbraw/zinc/28/08/18/598280818.db2.gz XSMRURHEZLJVIZ-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736750448 598280819 /nfs/dbraw/zinc/28/08/19/598280819.db2.gz XSMRURHEZLJVIZ-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CCCN(CCC)C(=O)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736473902 598282711 /nfs/dbraw/zinc/28/27/11/598282711.db2.gz VQBWHTPEDJXLPD-UHFFFAOYSA-N -1 3 394.479 3.720 20 0 GHADHM CCCN(CCC)C(=O)CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736473902 598282712 /nfs/dbraw/zinc/28/27/12/598282712.db2.gz VQBWHTPEDJXLPD-UHFFFAOYSA-N -1 3 394.479 3.720 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113404 598283243 /nfs/dbraw/zinc/28/32/43/598283243.db2.gz NEEAXNVHTFALMM-KUHUBIRLSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113404 598283245 /nfs/dbraw/zinc/28/32/45/598283245.db2.gz NEEAXNVHTFALMM-KUHUBIRLSA-N -1 3 376.464 3.695 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)C(C)C ZINC000736637097 598292620 /nfs/dbraw/zinc/29/26/20/598292620.db2.gz OKQYXGCDWGBUDC-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)C(C)C ZINC000736637097 598292621 /nfs/dbraw/zinc/29/26/21/598292621.db2.gz OKQYXGCDWGBUDC-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-c2cccs2)c1 ZINC000738115549 598293336 /nfs/dbraw/zinc/29/33/36/598293336.db2.gz FAYZKLIWLKOYDP-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2cccs2)c1 ZINC000738115549 598293338 /nfs/dbraw/zinc/29/33/38/598293338.db2.gz FAYZKLIWLKOYDP-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC000523834794 598294959 /nfs/dbraw/zinc/29/49/59/598294959.db2.gz JXAVHJAEMFFVTG-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC000523834794 598294960 /nfs/dbraw/zinc/29/49/60/598294960.db2.gz JXAVHJAEMFFVTG-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1C(C)C ZINC000737278940 598300286 /nfs/dbraw/zinc/30/02/86/598300286.db2.gz LZYCANVPUFWFPD-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1C(C)C ZINC000737278940 598300288 /nfs/dbraw/zinc/30/02/88/598300288.db2.gz LZYCANVPUFWFPD-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737336846 598304203 /nfs/dbraw/zinc/30/42/03/598304203.db2.gz HVZUKASJFZJYTI-AWEZNQCLSA-N -1 3 384.509 3.918 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737336846 598304204 /nfs/dbraw/zinc/30/42/04/598304204.db2.gz HVZUKASJFZJYTI-AWEZNQCLSA-N -1 3 384.509 3.918 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1sc2ccccc2c1Cl ZINC000738102215 598306998 /nfs/dbraw/zinc/30/69/98/598306998.db2.gz OYJLIHINSQRTDC-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1sc2ccccc2c1Cl ZINC000738102215 598306999 /nfs/dbraw/zinc/30/69/99/598306999.db2.gz OYJLIHINSQRTDC-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000737956466 598307859 /nfs/dbraw/zinc/30/78/59/598307859.db2.gz ZPWHDDOCWFWLQM-OAQYLSRUSA-N -1 3 388.402 3.881 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000737956466 598307861 /nfs/dbraw/zinc/30/78/61/598307861.db2.gz ZPWHDDOCWFWLQM-OAQYLSRUSA-N -1 3 388.402 3.881 20 0 GHADHM CC(C)[C@H](NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000735723494 598313372 /nfs/dbraw/zinc/31/33/72/598313372.db2.gz YVXKIFZVGWVIGA-IBGZPJMESA-N -1 3 399.495 3.753 20 0 GHADHM CC(C)[C@H](NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000735723494 598313374 /nfs/dbraw/zinc/31/33/74/598313374.db2.gz YVXKIFZVGWVIGA-IBGZPJMESA-N -1 3 399.495 3.753 20 0 GHADHM CC(C)[C@@H](NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000735723496 598313432 /nfs/dbraw/zinc/31/34/32/598313432.db2.gz YVXKIFZVGWVIGA-LJQANCHMSA-N -1 3 399.495 3.753 20 0 GHADHM CC(C)[C@@H](NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000735723496 598313434 /nfs/dbraw/zinc/31/34/34/598313434.db2.gz YVXKIFZVGWVIGA-LJQANCHMSA-N -1 3 399.495 3.753 20 0 GHADHM O=C1[C@H](S[C@H]2CCCc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297662 598316766 /nfs/dbraw/zinc/31/67/66/598316766.db2.gz TXZQRCVSCWGQPU-RBUKOAKNSA-N -1 3 391.500 3.783 20 0 GHADHM O=C1[C@H](S[C@H]2CCCc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297662 598316767 /nfs/dbraw/zinc/31/67/67/598316767.db2.gz TXZQRCVSCWGQPU-RBUKOAKNSA-N -1 3 391.500 3.783 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc2cccnc21 ZINC000738409608 598318180 /nfs/dbraw/zinc/31/81/80/598318180.db2.gz UDYWQJIJXPLVLE-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc2cccnc21 ZINC000738409608 598318182 /nfs/dbraw/zinc/31/81/82/598318182.db2.gz UDYWQJIJXPLVLE-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM CCOc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000736647788 598322068 /nfs/dbraw/zinc/32/20/68/598322068.db2.gz UBMCRSDFDJNACY-UHFFFAOYSA-N -1 3 392.847 3.867 20 0 GHADHM CCOc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000736647788 598322070 /nfs/dbraw/zinc/32/20/70/598322070.db2.gz UBMCRSDFDJNACY-UHFFFAOYSA-N -1 3 392.847 3.867 20 0 GHADHM Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737400733 598324672 /nfs/dbraw/zinc/32/46/72/598324672.db2.gz YFBKPENVKRRLME-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737400733 598324674 /nfs/dbraw/zinc/32/46/74/598324674.db2.gz YFBKPENVKRRLME-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736389748 598358895 /nfs/dbraw/zinc/35/88/95/598358895.db2.gz DRMAERAOFFKRGQ-QGZVFWFLSA-N -1 3 395.463 3.795 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736389748 598358897 /nfs/dbraw/zinc/35/88/97/598358897.db2.gz DRMAERAOFFKRGQ-QGZVFWFLSA-N -1 3 395.463 3.795 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1ccccc1F ZINC000735973743 598364440 /nfs/dbraw/zinc/36/44/40/598364440.db2.gz GWIDGIZZNXUAGX-HNNXBMFYSA-N -1 3 381.455 3.937 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1ccccc1F ZINC000735973743 598364442 /nfs/dbraw/zinc/36/44/42/598364442.db2.gz GWIDGIZZNXUAGX-HNNXBMFYSA-N -1 3 381.455 3.937 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737380813 598369657 /nfs/dbraw/zinc/36/96/57/598369657.db2.gz RVSBOWOIXYFZLB-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737380813 598369659 /nfs/dbraw/zinc/36/96/59/598369659.db2.gz RVSBOWOIXYFZLB-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113503 598371524 /nfs/dbraw/zinc/37/15/24/598371524.db2.gz OTVKAWJASSOZQP-WMZOPIPTSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113503 598371526 /nfs/dbraw/zinc/37/15/26/598371526.db2.gz OTVKAWJASSOZQP-WMZOPIPTSA-N -1 3 390.491 3.592 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735648438 598375385 /nfs/dbraw/zinc/37/53/85/598375385.db2.gz FACVRKNSPMVIOO-LJQANCHMSA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735648438 598375387 /nfs/dbraw/zinc/37/53/87/598375387.db2.gz FACVRKNSPMVIOO-LJQANCHMSA-N -1 3 394.475 3.721 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000736964504 598381732 /nfs/dbraw/zinc/38/17/32/598381732.db2.gz XIWBPMYZQQRCCY-KUHUBIRLSA-N -1 3 395.463 3.616 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000736964504 598381734 /nfs/dbraw/zinc/38/17/34/598381734.db2.gz XIWBPMYZQQRCCY-KUHUBIRLSA-N -1 3 395.463 3.616 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c2ccccc2n1 ZINC000737236508 598383294 /nfs/dbraw/zinc/38/32/94/598383294.db2.gz MSHVPOXWQSNWCI-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c2ccccc2n1 ZINC000737236508 598383295 /nfs/dbraw/zinc/38/32/95/598383295.db2.gz MSHVPOXWQSNWCI-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM CCC(=O)c1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000820842483 607356050 /nfs/dbraw/zinc/35/60/50/607356050.db2.gz NHDGZWIQXSFRGM-UHFFFAOYSA-N -1 3 390.447 3.656 20 0 GHADHM CCC(=O)c1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000820842483 607356052 /nfs/dbraw/zinc/35/60/52/607356052.db2.gz NHDGZWIQXSFRGM-UHFFFAOYSA-N -1 3 390.447 3.656 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000736192208 598415263 /nfs/dbraw/zinc/41/52/63/598415263.db2.gz LMRBWKZORJMDDJ-AWEZNQCLSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000736192208 598415265 /nfs/dbraw/zinc/41/52/65/598415265.db2.gz LMRBWKZORJMDDJ-AWEZNQCLSA-N -1 3 394.504 3.586 20 0 GHADHM CN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732831 598420618 /nfs/dbraw/zinc/42/06/18/598420618.db2.gz OKNDAVQACKQKSC-UHFFFAOYSA-N -1 3 398.879 3.725 20 0 GHADHM CN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732831 598420620 /nfs/dbraw/zinc/42/06/20/598420620.db2.gz OKNDAVQACKQKSC-UHFFFAOYSA-N -1 3 398.879 3.725 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736163260 598426111 /nfs/dbraw/zinc/42/61/11/598426111.db2.gz HOLRRMMDKRJJQN-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736163260 598426113 /nfs/dbraw/zinc/42/61/13/598426113.db2.gz HOLRRMMDKRJJQN-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1N(C)C ZINC000737274507 598426615 /nfs/dbraw/zinc/42/66/15/598426615.db2.gz LRWSDFRNTNFXFU-UHFFFAOYSA-N -1 3 393.495 3.684 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1N(C)C ZINC000737274507 598426617 /nfs/dbraw/zinc/42/66/17/598426617.db2.gz LRWSDFRNTNFXFU-UHFFFAOYSA-N -1 3 393.495 3.684 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc2ccccc2o1 ZINC000735873577 598429208 /nfs/dbraw/zinc/42/92/08/598429208.db2.gz HDOKEXQDCUJJKT-UHFFFAOYSA-N -1 3 390.447 3.733 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc2ccccc2o1 ZINC000735873577 598429210 /nfs/dbraw/zinc/42/92/10/598429210.db2.gz HDOKEXQDCUJJKT-UHFFFAOYSA-N -1 3 390.447 3.733 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738145391 598437821 /nfs/dbraw/zinc/43/78/21/598437821.db2.gz JPPXHZRWVCSBPX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738145391 598437822 /nfs/dbraw/zinc/43/78/22/598437822.db2.gz JPPXHZRWVCSBPX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000737236554 598440731 /nfs/dbraw/zinc/44/07/31/598440731.db2.gz MUOACZYPPQWOCH-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000737236554 598440734 /nfs/dbraw/zinc/44/07/34/598440734.db2.gz MUOACZYPPQWOCH-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737141240 598441884 /nfs/dbraw/zinc/44/18/84/598441884.db2.gz ILIWYAVJUPQQDM-VAWYXSNFSA-N -1 3 395.488 3.858 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737141240 598441886 /nfs/dbraw/zinc/44/18/86/598441886.db2.gz ILIWYAVJUPQQDM-VAWYXSNFSA-N -1 3 395.488 3.858 20 0 GHADHM O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737994500 598451769 /nfs/dbraw/zinc/45/17/69/598451769.db2.gz BTTWDNHTDPXKRI-IBGZPJMESA-N -1 3 376.464 3.703 20 0 GHADHM O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737994500 598451771 /nfs/dbraw/zinc/45/17/71/598451771.db2.gz BTTWDNHTDPXKRI-IBGZPJMESA-N -1 3 376.464 3.703 20 0 GHADHM Fc1ccc([C@H]2CN(c3c(F)cc(-c4nnn[n-]4)cc3F)CCO2)cc1Cl ZINC000737647036 598458045 /nfs/dbraw/zinc/45/80/45/598458045.db2.gz CHNJBGXONIYDTL-OAHLLOKOSA-N -1 3 395.772 3.515 20 0 GHADHM Fc1ccc([C@H]2CN(c3c(F)cc(-c4nn[n-]n4)cc3F)CCO2)cc1Cl ZINC000737647036 598458046 /nfs/dbraw/zinc/45/80/46/598458046.db2.gz CHNJBGXONIYDTL-OAHLLOKOSA-N -1 3 395.772 3.515 20 0 GHADHM C[C@H](OC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736229057 598472721 /nfs/dbraw/zinc/47/27/21/598472721.db2.gz PWVWXZFXNREELG-QLFBSQMISA-N -1 3 399.495 3.589 20 0 GHADHM C[C@H](OC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736229057 598472723 /nfs/dbraw/zinc/47/27/23/598472723.db2.gz PWVWXZFXNREELG-QLFBSQMISA-N -1 3 399.495 3.589 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736818011 598476298 /nfs/dbraw/zinc/47/62/98/598476298.db2.gz LAEMLRNXFDPSLH-UHFFFAOYSA-N -1 3 390.419 3.845 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736818011 598476300 /nfs/dbraw/zinc/47/63/00/598476300.db2.gz LAEMLRNXFDPSLH-UHFFFAOYSA-N -1 3 390.419 3.845 20 0 GHADHM C[C@H](OC(=O)COc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736156049 598485788 /nfs/dbraw/zinc/48/57/88/598485788.db2.gz SFFRIINUVBKKDB-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736156049 598485789 /nfs/dbraw/zinc/48/57/89/598485789.db2.gz SFFRIINUVBKKDB-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546656 598488166 /nfs/dbraw/zinc/48/81/66/598488166.db2.gz FOMNWIBHEHHBLT-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546656 598488168 /nfs/dbraw/zinc/48/81/68/598488168.db2.gz FOMNWIBHEHHBLT-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737139947 598489052 /nfs/dbraw/zinc/48/90/52/598489052.db2.gz BIXZKMCNXWBFAZ-CYBMUJFWSA-N -1 3 382.468 3.564 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737139947 598489054 /nfs/dbraw/zinc/48/90/54/598489054.db2.gz BIXZKMCNXWBFAZ-CYBMUJFWSA-N -1 3 382.468 3.564 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736303711 598489609 /nfs/dbraw/zinc/48/96/09/598489609.db2.gz KCEHTOXVTUAFKF-YVARQFDVSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736303711 598489611 /nfs/dbraw/zinc/48/96/11/598489611.db2.gz KCEHTOXVTUAFKF-YVARQFDVSA-N -1 3 394.431 3.592 20 0 GHADHM Clc1cccc(N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC000737575347 598493313 /nfs/dbraw/zinc/49/33/13/598493313.db2.gz RZZNMHNBUKAWDN-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM Clc1cccc(N2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000737575347 598493314 /nfs/dbraw/zinc/49/33/14/598493314.db2.gz RZZNMHNBUKAWDN-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000732086260 598494037 /nfs/dbraw/zinc/49/40/37/598494037.db2.gz UHAAAUCXXKTUKQ-JLHYYAGUSA-N -1 3 389.459 3.518 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000732086260 598494038 /nfs/dbraw/zinc/49/40/38/598494038.db2.gz UHAAAUCXXKTUKQ-JLHYYAGUSA-N -1 3 389.459 3.518 20 0 GHADHM CC(C)C[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735762274 598494751 /nfs/dbraw/zinc/49/47/51/598494751.db2.gz WMFHLADTWPCLRD-CYBMUJFWSA-N -1 3 383.418 3.830 20 0 GHADHM CC(C)C[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735762274 598494753 /nfs/dbraw/zinc/49/47/53/598494753.db2.gz WMFHLADTWPCLRD-CYBMUJFWSA-N -1 3 383.418 3.830 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738175955 598500276 /nfs/dbraw/zinc/50/02/76/598500276.db2.gz RCQHJIAKLGAHKJ-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738175955 598500277 /nfs/dbraw/zinc/50/02/77/598500277.db2.gz RCQHJIAKLGAHKJ-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785843 598513638 /nfs/dbraw/zinc/51/36/38/598513638.db2.gz HGVJOHSFCLYAEE-KGLIPLIRSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785843 598513639 /nfs/dbraw/zinc/51/36/39/598513639.db2.gz HGVJOHSFCLYAEE-KGLIPLIRSA-N -1 3 388.258 3.593 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1-c1nnn[n-]1 ZINC000736676365 598516519 /nfs/dbraw/zinc/51/65/19/598516519.db2.gz SRMCBUOSGFNKOT-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1-c1nn[n-]n1 ZINC000736676365 598516520 /nfs/dbraw/zinc/51/65/20/598516520.db2.gz SRMCBUOSGFNKOT-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737365053 598538043 /nfs/dbraw/zinc/53/80/43/598538043.db2.gz OQJDMMRINUCZCQ-UHFFFAOYSA-N -1 3 376.372 3.566 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1C(F)(F)F ZINC000737852038 598543982 /nfs/dbraw/zinc/54/39/82/598543982.db2.gz AJYLCALRXHIEIX-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1C(F)(F)F ZINC000737852038 598543984 /nfs/dbraw/zinc/54/39/84/598543984.db2.gz AJYLCALRXHIEIX-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(Cc1ccccc1F)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737974379 598555869 /nfs/dbraw/zinc/55/58/69/598555869.db2.gz OEWHDCCJENLQCX-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1ccccc1F)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737974379 598555870 /nfs/dbraw/zinc/55/58/70/598555870.db2.gz OEWHDCCJENLQCX-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Oc1cccnc1 ZINC000738236711 598558100 /nfs/dbraw/zinc/55/81/00/598558100.db2.gz QNZLGTGGSZKOHV-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Oc1cccnc1 ZINC000738236711 598558102 /nfs/dbraw/zinc/55/81/02/598558102.db2.gz QNZLGTGGSZKOHV-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NCC(C)C ZINC000737278558 598559349 /nfs/dbraw/zinc/55/93/49/598559349.db2.gz BNDHLGBGBQISOP-UHFFFAOYSA-N -1 3 380.452 3.532 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NCC(C)C ZINC000737278558 598559350 /nfs/dbraw/zinc/55/93/50/598559350.db2.gz BNDHLGBGBQISOP-UHFFFAOYSA-N -1 3 380.452 3.532 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736314917 598559387 /nfs/dbraw/zinc/55/93/87/598559387.db2.gz PFMLYRSGIAIEES-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736314917 598559388 /nfs/dbraw/zinc/55/93/88/598559388.db2.gz PFMLYRSGIAIEES-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000737318432 598561900 /nfs/dbraw/zinc/56/19/00/598561900.db2.gz ASHRDCLEAPPYFE-SECBINFHSA-N -1 3 394.407 3.721 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000737318432 598561902 /nfs/dbraw/zinc/56/19/02/598561902.db2.gz ASHRDCLEAPPYFE-SECBINFHSA-N -1 3 394.407 3.721 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc2[nH]cnc2c1 ZINC000738171093 598564576 /nfs/dbraw/zinc/56/45/76/598564576.db2.gz APLQLIVTQKSFAK-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc2[nH]cnc2c1 ZINC000738171093 598564579 /nfs/dbraw/zinc/56/45/79/598564579.db2.gz APLQLIVTQKSFAK-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2ccc(Cl)s2)n1 ZINC000738191387 598572357 /nfs/dbraw/zinc/57/23/57/598572357.db2.gz IQVSPOQCQPUJIW-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccc(Cl)s2)n1 ZINC000738191387 598572359 /nfs/dbraw/zinc/57/23/59/598572359.db2.gz IQVSPOQCQPUJIW-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(/C=C/Sc1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737796435 598579061 /nfs/dbraw/zinc/57/90/61/598579061.db2.gz OJQCKSAULOOECB-ZRDIBKRKSA-N -1 3 397.529 3.522 20 0 GHADHM O=C(/C=C/Sc1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737796435 598579063 /nfs/dbraw/zinc/57/90/63/598579063.db2.gz OJQCKSAULOOECB-ZRDIBKRKSA-N -1 3 397.529 3.522 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCOc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736277589 598582092 /nfs/dbraw/zinc/58/20/92/598582092.db2.gz AGLPTAQVRQVUGT-DGCLKSJQSA-N -1 3 395.488 3.558 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCOc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736277589 598582094 /nfs/dbraw/zinc/58/20/94/598582094.db2.gz AGLPTAQVRQVUGT-DGCLKSJQSA-N -1 3 395.488 3.558 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849797 598585226 /nfs/dbraw/zinc/58/52/26/598585226.db2.gz GVGQSLKAZWHCOS-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849797 598585228 /nfs/dbraw/zinc/58/52/28/598585228.db2.gz GVGQSLKAZWHCOS-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2Cl)on1 ZINC000738167235 598586942 /nfs/dbraw/zinc/58/69/42/598586942.db2.gz PYJUMUNCKOZPNE-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2Cl)on1 ZINC000738167235 598586943 /nfs/dbraw/zinc/58/69/43/598586943.db2.gz PYJUMUNCKOZPNE-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2ccccc2Cl)no1 ZINC000736191426 598609474 /nfs/dbraw/zinc/60/94/74/598609474.db2.gz ZKLAYEXFPALZRB-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2ccccc2Cl)no1 ZINC000736191426 598609476 /nfs/dbraw/zinc/60/94/76/598609476.db2.gz ZKLAYEXFPALZRB-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2cccc3cccnc32)no1 ZINC000736171095 598609805 /nfs/dbraw/zinc/60/98/05/598609805.db2.gz ZDNDORPJCAKRMT-CYBMUJFWSA-N -1 3 399.414 3.529 20 0 GHADHM CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735789008 598610671 /nfs/dbraw/zinc/61/06/71/598610671.db2.gz SBIOGFNTSGTKNJ-AWEZNQCLSA-N -1 3 399.455 3.529 20 0 GHADHM CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735789008 598610672 /nfs/dbraw/zinc/61/06/72/598610672.db2.gz SBIOGFNTSGTKNJ-AWEZNQCLSA-N -1 3 399.455 3.529 20 0 GHADHM CC(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000735495636 598616384 /nfs/dbraw/zinc/61/63/84/598616384.db2.gz LTTFJZHSTYCABW-UHFFFAOYSA-N -1 3 384.395 3.956 20 0 GHADHM CC(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000735495636 598616385 /nfs/dbraw/zinc/61/63/85/598616385.db2.gz LTTFJZHSTYCABW-UHFFFAOYSA-N -1 3 384.395 3.956 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000738163656 598625178 /nfs/dbraw/zinc/62/51/78/598625178.db2.gz RZNHOJVYYRHNNM-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000738163656 598625180 /nfs/dbraw/zinc/62/51/80/598625180.db2.gz RZNHOJVYYRHNNM-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM Cc1cnn(CCCCCSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000737448114 598641221 /nfs/dbraw/zinc/64/12/21/598641221.db2.gz KHLZZMBEPHOLQI-UHFFFAOYSA-N -1 3 383.525 3.608 20 0 GHADHM Cc1cnn(CCCCCSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000737448114 598641223 /nfs/dbraw/zinc/64/12/23/598641223.db2.gz KHLZZMBEPHOLQI-UHFFFAOYSA-N -1 3 383.525 3.608 20 0 GHADHM Cc1ccc2c(c1)N(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCC2 ZINC000737374987 598643756 /nfs/dbraw/zinc/64/37/56/598643756.db2.gz BHIVIMHUCAUZAX-UHFFFAOYSA-N -1 3 384.896 3.978 20 0 GHADHM Cc1ccc2c(c1)N(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCC2 ZINC000737374987 598643758 /nfs/dbraw/zinc/64/37/58/598643758.db2.gz BHIVIMHUCAUZAX-UHFFFAOYSA-N -1 3 384.896 3.978 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735798654 598644172 /nfs/dbraw/zinc/64/41/72/598644172.db2.gz XWPHNUOOLFJSTG-HNNXBMFYSA-N -1 3 394.479 3.999 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735798654 598644175 /nfs/dbraw/zinc/64/41/75/598644175.db2.gz XWPHNUOOLFJSTG-HNNXBMFYSA-N -1 3 394.479 3.999 20 0 GHADHM CC(C)(NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000735677944 598645705 /nfs/dbraw/zinc/64/57/05/598645705.db2.gz LXWRINJFEKIQKM-UHFFFAOYSA-N -1 3 390.875 3.881 20 0 GHADHM CC(C)(NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000735677944 598645707 /nfs/dbraw/zinc/64/57/07/598645707.db2.gz LXWRINJFEKIQKM-UHFFFAOYSA-N -1 3 390.875 3.881 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C)c1 ZINC000736503590 598649774 /nfs/dbraw/zinc/64/97/74/598649774.db2.gz YPEFEOYFRAKVBD-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C)c1 ZINC000736503590 598649776 /nfs/dbraw/zinc/64/97/76/598649776.db2.gz YPEFEOYFRAKVBD-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CCN(CCc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736542615 598651410 /nfs/dbraw/zinc/65/14/10/598651410.db2.gz USIOVWUYXIUFDH-UHFFFAOYSA-N -1 3 393.491 3.507 20 0 GHADHM CCN(CCc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736542615 598651412 /nfs/dbraw/zinc/65/14/12/598651412.db2.gz USIOVWUYXIUFDH-UHFFFAOYSA-N -1 3 393.491 3.507 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735874841 598651808 /nfs/dbraw/zinc/65/18/08/598651808.db2.gz UYKLJIXMUJCBJE-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735874841 598651809 /nfs/dbraw/zinc/65/18/09/598651809.db2.gz UYKLJIXMUJCBJE-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM CCN(C(=O)c1cccnc1OCC(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507509 598652252 /nfs/dbraw/zinc/65/22/52/598652252.db2.gz DRMGXOMEIPMFDS-OAHLLOKOSA-N -1 3 394.479 3.520 20 0 GHADHM CCN(C(=O)c1cccnc1OCC(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507509 598652254 /nfs/dbraw/zinc/65/22/54/598652254.db2.gz DRMGXOMEIPMFDS-OAHLLOKOSA-N -1 3 394.479 3.520 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737319603 598652438 /nfs/dbraw/zinc/65/24/38/598652438.db2.gz FRZJWBQWQQFQFH-OAHLLOKOSA-N -1 3 381.505 3.795 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737319603 598652439 /nfs/dbraw/zinc/65/24/39/598652439.db2.gz FRZJWBQWQQFQFH-OAHLLOKOSA-N -1 3 381.505 3.795 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737143562 598652516 /nfs/dbraw/zinc/65/25/16/598652516.db2.gz VZDWXPCCFLVJBP-OAHLLOKOSA-N -1 3 391.475 3.560 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737143562 598652518 /nfs/dbraw/zinc/65/25/18/598652518.db2.gz VZDWXPCCFLVJBP-OAHLLOKOSA-N -1 3 391.475 3.560 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccco1)C1CCCC1 ZINC000737943653 598652775 /nfs/dbraw/zinc/65/27/75/598652775.db2.gz SYHBBNVOWVLXDP-UHFFFAOYSA-N -1 3 383.477 3.523 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccco1)C1CCCC1 ZINC000737943653 598652776 /nfs/dbraw/zinc/65/27/76/598652776.db2.gz SYHBBNVOWVLXDP-UHFFFAOYSA-N -1 3 383.477 3.523 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc2nccn2c1 ZINC000738171601 598657919 /nfs/dbraw/zinc/65/79/19/598657919.db2.gz GWPBNBLEPGBNKA-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736401652 598664183 /nfs/dbraw/zinc/66/41/83/598664183.db2.gz KNZBRHHSVVAMPD-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736401652 598664184 /nfs/dbraw/zinc/66/41/84/598664184.db2.gz KNZBRHHSVVAMPD-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748942 598664362 /nfs/dbraw/zinc/66/43/62/598664362.db2.gz ZEFATZAKEHBUMI-SJLPKXTDSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735748942 598664364 /nfs/dbraw/zinc/66/43/64/598664364.db2.gz ZEFATZAKEHBUMI-SJLPKXTDSA-N -1 3 385.512 3.747 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821782521 607364371 /nfs/dbraw/zinc/36/43/71/607364371.db2.gz HFDBUGOKMMZSLD-IBGZPJMESA-N -1 3 377.448 3.633 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821782521 607364372 /nfs/dbraw/zinc/36/43/72/607364372.db2.gz HFDBUGOKMMZSLD-IBGZPJMESA-N -1 3 377.448 3.633 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1Cl ZINC000736190677 598695902 /nfs/dbraw/zinc/69/59/02/598695902.db2.gz GPISEKKSTHUBPH-SNVBAGLBSA-N -1 3 391.859 3.920 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1Cl ZINC000736190677 598695903 /nfs/dbraw/zinc/69/59/03/598695903.db2.gz GPISEKKSTHUBPH-SNVBAGLBSA-N -1 3 391.859 3.920 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCc2ccccc21 ZINC000736192314 598696154 /nfs/dbraw/zinc/69/61/54/598696154.db2.gz XZBMQYKVKDVIKO-CYBMUJFWSA-N -1 3 397.479 3.607 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000736192314 598696156 /nfs/dbraw/zinc/69/61/56/598696156.db2.gz XZBMQYKVKDVIKO-CYBMUJFWSA-N -1 3 397.479 3.607 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000736189199 598696197 /nfs/dbraw/zinc/69/61/97/598696197.db2.gz BIPJGUDKPNVTER-JTQLQIEISA-N -1 3 391.859 3.920 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1 ZINC000736189199 598696198 /nfs/dbraw/zinc/69/61/98/598696198.db2.gz BIPJGUDKPNVTER-JTQLQIEISA-N -1 3 391.859 3.920 20 0 GHADHM CCc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736699301 598698118 /nfs/dbraw/zinc/69/81/18/598698118.db2.gz MMWYCCPXWFHXKX-UHFFFAOYSA-N -1 3 385.468 3.749 20 0 GHADHM CCc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736699301 598698119 /nfs/dbraw/zinc/69/81/19/598698119.db2.gz MMWYCCPXWFHXKX-UHFFFAOYSA-N -1 3 385.468 3.749 20 0 GHADHM Cc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)on1 ZINC000737263342 598703942 /nfs/dbraw/zinc/70/39/42/598703942.db2.gz TZANIIUTWIKCLB-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM Cc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)on1 ZINC000737263342 598703943 /nfs/dbraw/zinc/70/39/43/598703943.db2.gz TZANIIUTWIKCLB-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736390211 598712197 /nfs/dbraw/zinc/71/21/97/598712197.db2.gz HTQUVZYNRRJHBZ-LJQANCHMSA-N -1 3 399.520 3.665 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736390211 598712199 /nfs/dbraw/zinc/71/21/99/598712199.db2.gz HTQUVZYNRRJHBZ-LJQANCHMSA-N -1 3 399.520 3.665 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737808749 598712537 /nfs/dbraw/zinc/71/25/37/598712537.db2.gz RBMZCPARZGRNJO-OAHLLOKOSA-N -1 3 376.338 3.646 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737808749 598712538 /nfs/dbraw/zinc/71/25/38/598712538.db2.gz RBMZCPARZGRNJO-OAHLLOKOSA-N -1 3 376.338 3.646 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000735905552 598716116 /nfs/dbraw/zinc/71/61/16/598716116.db2.gz KNXWWDXBPGHXRJ-UHFFFAOYSA-N -1 3 398.442 3.850 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000735905552 598716117 /nfs/dbraw/zinc/71/61/17/598716117.db2.gz KNXWWDXBPGHXRJ-UHFFFAOYSA-N -1 3 398.442 3.850 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115516 598716306 /nfs/dbraw/zinc/71/63/06/598716306.db2.gz YNHMZOSJGPXZRF-SUMWQHHRSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115516 598716308 /nfs/dbraw/zinc/71/63/08/598716308.db2.gz YNHMZOSJGPXZRF-SUMWQHHRSA-N -1 3 396.882 3.780 20 0 GHADHM CC(C)OCCCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000735902979 598716404 /nfs/dbraw/zinc/71/64/04/598716404.db2.gz BRVINHUJFOMAKS-UHFFFAOYSA-N -1 3 385.493 3.918 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000736636503 598716469 /nfs/dbraw/zinc/71/64/69/598716469.db2.gz KUIJBZFWEPCBAZ-UHFFFAOYSA-N -1 3 398.442 3.504 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000736636503 598716470 /nfs/dbraw/zinc/71/64/70/598716470.db2.gz KUIJBZFWEPCBAZ-UHFFFAOYSA-N -1 3 398.442 3.504 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000738269617 598722358 /nfs/dbraw/zinc/72/23/58/598722358.db2.gz POTOWHXCUQWOET-QGZVFWFLSA-N -1 3 393.497 3.778 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000738269617 598722360 /nfs/dbraw/zinc/72/23/60/598722360.db2.gz POTOWHXCUQWOET-QGZVFWFLSA-N -1 3 393.497 3.778 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736048364 598724720 /nfs/dbraw/zinc/72/47/20/598724720.db2.gz VUBQOSUCOWCMGS-AWEZNQCLSA-N -1 3 393.472 3.591 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736048364 598724722 /nfs/dbraw/zinc/72/47/22/598724722.db2.gz VUBQOSUCOWCMGS-AWEZNQCLSA-N -1 3 393.472 3.591 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738164111 598727054 /nfs/dbraw/zinc/72/70/54/598727054.db2.gz YHHCYOFRBGAORD-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738164111 598727056 /nfs/dbraw/zinc/72/70/56/598727056.db2.gz YHHCYOFRBGAORD-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737821720 598742315 /nfs/dbraw/zinc/74/23/15/598742315.db2.gz WJMWMZDKUCUEBJ-CYBMUJFWSA-N -1 3 393.516 3.941 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737821720 598742316 /nfs/dbraw/zinc/74/23/16/598742316.db2.gz WJMWMZDKUCUEBJ-CYBMUJFWSA-N -1 3 393.516 3.941 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000736349130 598763032 /nfs/dbraw/zinc/76/30/32/598763032.db2.gz DQNYRFMNTYYXRV-ZDUSSCGKSA-N -1 3 386.839 3.703 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000736349130 598763034 /nfs/dbraw/zinc/76/30/34/598763034.db2.gz DQNYRFMNTYYXRV-ZDUSSCGKSA-N -1 3 386.839 3.703 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735588983 598777808 /nfs/dbraw/zinc/77/78/08/598777808.db2.gz HRMSYHVZHVVGAC-QGZVFWFLSA-N -1 3 398.442 3.621 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735588983 598777809 /nfs/dbraw/zinc/77/78/09/598777809.db2.gz HRMSYHVZHVVGAC-QGZVFWFLSA-N -1 3 398.442 3.621 20 0 GHADHM O=C(OCC(F)F)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738219465 598785453 /nfs/dbraw/zinc/78/54/53/598785453.db2.gz KVMLHOYQMFVYBE-UHFFFAOYSA-N -1 3 376.388 3.581 20 0 GHADHM O=C(OCC(F)F)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738219465 598785455 /nfs/dbraw/zinc/78/54/55/598785455.db2.gz KVMLHOYQMFVYBE-UHFFFAOYSA-N -1 3 376.388 3.581 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)CCCc1ccccc1 ZINC000737025901 598790114 /nfs/dbraw/zinc/79/01/14/598790114.db2.gz OWNLAJXBQUQUMC-UHFFFAOYSA-N -1 3 380.448 3.830 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)CCCc1ccccc1 ZINC000737025901 598790116 /nfs/dbraw/zinc/79/01/16/598790116.db2.gz OWNLAJXBQUQUMC-UHFFFAOYSA-N -1 3 380.448 3.830 20 0 GHADHM Clc1ccc(Br)cc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000737571090 598790438 /nfs/dbraw/zinc/79/04/38/598790438.db2.gz RCTKQBDYMPHRMF-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1ccc(Br)cc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000737571090 598790439 /nfs/dbraw/zinc/79/04/39/598790439.db2.gz RCTKQBDYMPHRMF-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM O=C([C@@H]1CCc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737792258 598790568 /nfs/dbraw/zinc/79/05/68/598790568.db2.gz NCWHUHXDJXRHIQ-GOSISDBHSA-N -1 3 385.427 3.723 20 0 GHADHM O=C([C@@H]1CCc2ccccc21)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737792258 598790569 /nfs/dbraw/zinc/79/05/69/598790569.db2.gz NCWHUHXDJXRHIQ-GOSISDBHSA-N -1 3 385.427 3.723 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000735960699 598803482 /nfs/dbraw/zinc/80/34/82/598803482.db2.gz KGNIZZYSHAYMMQ-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000735960699 598803484 /nfs/dbraw/zinc/80/34/84/598803484.db2.gz KGNIZZYSHAYMMQ-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM Cc1cc2occ(CC(=O)Nc3ccc(-c4nnn[n-]4)cn3)c2cc1C(C)C ZINC000737283795 598806331 /nfs/dbraw/zinc/80/63/31/598806331.db2.gz HCKMUPJZUWBHAT-UHFFFAOYSA-N -1 3 376.420 3.621 20 0 GHADHM Cc1cc2occ(CC(=O)Nc3ccc(-c4nn[n-]n4)cn3)c2cc1C(C)C ZINC000737283795 598806333 /nfs/dbraw/zinc/80/63/33/598806333.db2.gz HCKMUPJZUWBHAT-UHFFFAOYSA-N -1 3 376.420 3.621 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737341897 598814322 /nfs/dbraw/zinc/81/43/22/598814322.db2.gz AZHHIKNDBRLNOQ-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737341897 598814325 /nfs/dbraw/zinc/81/43/25/598814325.db2.gz AZHHIKNDBRLNOQ-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000736819278 598817523 /nfs/dbraw/zinc/81/75/23/598817523.db2.gz CQQPEFYNTGFETF-UHFFFAOYSA-N -1 3 397.482 3.831 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000736819278 598817525 /nfs/dbraw/zinc/81/75/25/598817525.db2.gz CQQPEFYNTGFETF-UHFFFAOYSA-N -1 3 397.482 3.831 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1COc2ccccc21 ZINC000738250144 598822334 /nfs/dbraw/zinc/82/23/34/598822334.db2.gz CWMLTKTYTUCZIQ-LJQANCHMSA-N -1 3 384.395 3.615 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1COc2ccccc21 ZINC000738250144 598822335 /nfs/dbraw/zinc/82/23/35/598822335.db2.gz CWMLTKTYTUCZIQ-LJQANCHMSA-N -1 3 384.395 3.615 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000820379350 599296198 /nfs/dbraw/zinc/29/61/98/599296198.db2.gz BDQGPAKPZUBQAM-NSHDSACASA-N -1 3 382.399 3.718 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000820379350 599296200 /nfs/dbraw/zinc/29/62/00/599296200.db2.gz BDQGPAKPZUBQAM-NSHDSACASA-N -1 3 382.399 3.718 20 0 GHADHM CN(CC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821596398 599297151 /nfs/dbraw/zinc/29/71/51/599297151.db2.gz IVMSRXJZJVFMBP-UHFFFAOYSA-N -1 3 382.399 3.672 20 0 GHADHM CN(CC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821596398 599297153 /nfs/dbraw/zinc/29/71/53/599297153.db2.gz IVMSRXJZJVFMBP-UHFFFAOYSA-N -1 3 382.399 3.672 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736177746 599302737 /nfs/dbraw/zinc/30/27/37/599302737.db2.gz URVNTLWUYPWZHF-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736177746 599302740 /nfs/dbraw/zinc/30/27/40/599302740.db2.gz URVNTLWUYPWZHF-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690328 599315300 /nfs/dbraw/zinc/31/53/00/599315300.db2.gz JRGVYBYASZDNKE-GOEBONIOSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690328 599315304 /nfs/dbraw/zinc/31/53/04/599315304.db2.gz JRGVYBYASZDNKE-GOEBONIOSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691757 599318032 /nfs/dbraw/zinc/31/80/32/599318032.db2.gz ZAXBRIFCGZGFOD-YOEHRIQHSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691757 599318034 /nfs/dbraw/zinc/31/80/34/599318034.db2.gz ZAXBRIFCGZGFOD-YOEHRIQHSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820690649 599320533 /nfs/dbraw/zinc/32/05/33/599320533.db2.gz PPWDHVIVSPGIID-WMLDXEAASA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820690649 599320535 /nfs/dbraw/zinc/32/05/35/599320535.db2.gz PPWDHVIVSPGIID-WMLDXEAASA-N -1 3 393.447 3.945 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737270778 599326801 /nfs/dbraw/zinc/32/68/01/599326801.db2.gz HJJQYQPWNIGVFT-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737270778 599326802 /nfs/dbraw/zinc/32/68/02/599326802.db2.gz HJJQYQPWNIGVFT-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557918 599328982 /nfs/dbraw/zinc/32/89/82/599328982.db2.gz DZJSCTADMINPOK-HNNXBMFYSA-N -1 3 381.505 3.710 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557918 599328985 /nfs/dbraw/zinc/32/89/85/599328985.db2.gz DZJSCTADMINPOK-HNNXBMFYSA-N -1 3 381.505 3.710 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CS[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000821749410 607369839 /nfs/dbraw/zinc/36/98/39/607369839.db2.gz KOIKRRDXUOJBMR-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM O=C(C[C@@H]1CCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737819614 599340367 /nfs/dbraw/zinc/34/03/67/599340367.db2.gz IJMNCUKWLPQFAL-INIZCTEOSA-N -1 3 397.866 3.622 20 0 GHADHM O=C(C[C@@H]1CCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737819614 599340371 /nfs/dbraw/zinc/34/03/71/599340371.db2.gz IJMNCUKWLPQFAL-INIZCTEOSA-N -1 3 397.866 3.622 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc21 ZINC000820031610 599343727 /nfs/dbraw/zinc/34/37/27/599343727.db2.gz GLTOWCOMYIQAOB-GOSISDBHSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc21 ZINC000820031610 599343731 /nfs/dbraw/zinc/34/37/31/599343731.db2.gz GLTOWCOMYIQAOB-GOSISDBHSA-N -1 3 379.489 3.573 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821000932 599350240 /nfs/dbraw/zinc/35/02/40/599350240.db2.gz MDKRFJONLNAOHV-AWEZNQCLSA-N -1 3 385.518 3.556 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821000932 599350243 /nfs/dbraw/zinc/35/02/43/599350243.db2.gz MDKRFJONLNAOHV-AWEZNQCLSA-N -1 3 385.518 3.556 20 0 GHADHM CSCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737181902 599374249 /nfs/dbraw/zinc/37/42/49/599374249.db2.gz OFDATMGWUZJXRH-UHFFFAOYSA-N -1 3 397.504 3.836 20 0 GHADHM CSCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737181902 599374252 /nfs/dbraw/zinc/37/42/52/599374252.db2.gz OFDATMGWUZJXRH-UHFFFAOYSA-N -1 3 397.504 3.836 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821571770 599388798 /nfs/dbraw/zinc/38/87/98/599388798.db2.gz DWEMRKRHRCJCRW-UHFFFAOYSA-N -1 3 399.426 3.956 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821571770 599388800 /nfs/dbraw/zinc/38/88/00/599388800.db2.gz DWEMRKRHRCJCRW-UHFFFAOYSA-N -1 3 399.426 3.956 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357972 599400722 /nfs/dbraw/zinc/40/07/22/599400722.db2.gz LANAZZTUZMGICS-ZBEGNZNMSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357972 599400724 /nfs/dbraw/zinc/40/07/24/599400724.db2.gz LANAZZTUZMGICS-ZBEGNZNMSA-N -1 3 398.467 3.603 20 0 GHADHM Clc1ccc([C@@H]2CN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CCO2)cc1 ZINC000737571205 599415011 /nfs/dbraw/zinc/41/50/11/599415011.db2.gz WHMSMGSHKOBNFS-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@@H]2CN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CCO2)cc1 ZINC000737571205 599415012 /nfs/dbraw/zinc/41/50/12/599415012.db2.gz WHMSMGSHKOBNFS-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CCCO2 ZINC000737666326 599417161 /nfs/dbraw/zinc/41/71/61/599417161.db2.gz KGWNSUIMGQRELF-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CCCO2 ZINC000737666326 599417162 /nfs/dbraw/zinc/41/71/62/599417162.db2.gz KGWNSUIMGQRELF-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339234 599419271 /nfs/dbraw/zinc/41/92/71/599419271.db2.gz AIWSOHOAOLZLDN-SJKOYZFVSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339234 599419273 /nfs/dbraw/zinc/41/92/73/599419273.db2.gz AIWSOHOAOLZLDN-SJKOYZFVSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225593 599423932 /nfs/dbraw/zinc/42/39/32/599423932.db2.gz MHLGXNITLDUMKM-HOTGVXAUSA-N -1 3 392.507 3.983 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225593 599423934 /nfs/dbraw/zinc/42/39/34/599423934.db2.gz MHLGXNITLDUMKM-HOTGVXAUSA-N -1 3 392.507 3.983 20 0 GHADHM COc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1Br ZINC000737094823 599425287 /nfs/dbraw/zinc/42/52/87/599425287.db2.gz AXADRTFKIQOJEM-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1Br ZINC000737094823 599425291 /nfs/dbraw/zinc/42/52/91/599425291.db2.gz AXADRTFKIQOJEM-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820353021 599440916 /nfs/dbraw/zinc/44/09/16/599440916.db2.gz XEEZDLRVWQOXIN-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820353021 599440917 /nfs/dbraw/zinc/44/09/17/599440917.db2.gz XEEZDLRVWQOXIN-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM Cc1cnc(CNCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)s1 ZINC000822394517 599453244 /nfs/dbraw/zinc/45/32/44/599453244.db2.gz CARINOLABPGPAW-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM Cc1cnc(CNCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)s1 ZINC000822394517 599453246 /nfs/dbraw/zinc/45/32/46/599453246.db2.gz CARINOLABPGPAW-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM Fc1ccc(-c2nc(CNCc3cc(-c4nn[n-]n4)ccc3F)cs2)cc1 ZINC000822753488 599455644 /nfs/dbraw/zinc/45/56/44/599455644.db2.gz OBOAPQJNVJAJDF-UHFFFAOYSA-N -1 3 384.415 3.558 20 0 GHADHM CCN(CC)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821198282 599456363 /nfs/dbraw/zinc/45/63/63/599456363.db2.gz QOMPTXINTQFGRA-MRXNPFEDSA-N -1 3 392.507 3.936 20 0 GHADHM CCN(CC)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198282 599456365 /nfs/dbraw/zinc/45/63/65/599456365.db2.gz QOMPTXINTQFGRA-MRXNPFEDSA-N -1 3 392.507 3.936 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737943238 599469525 /nfs/dbraw/zinc/46/95/25/599469525.db2.gz QOROYBCVLUDRBY-MRXNPFEDSA-N -1 3 383.477 3.696 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737943238 599469527 /nfs/dbraw/zinc/46/95/27/599469527.db2.gz QOROYBCVLUDRBY-MRXNPFEDSA-N -1 3 383.477 3.696 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c(C)c1 ZINC000822224922 599471796 /nfs/dbraw/zinc/47/17/96/599471796.db2.gz GAXIMMGHLGVDLM-UHFFFAOYSA-N -1 3 379.439 3.722 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c(C)c1 ZINC000822224922 599471797 /nfs/dbraw/zinc/47/17/97/599471797.db2.gz GAXIMMGHLGVDLM-UHFFFAOYSA-N -1 3 379.439 3.722 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339508 599473511 /nfs/dbraw/zinc/47/35/11/599473511.db2.gz DENKLELGDSUBOL-CHWSQXEVSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339508 599473513 /nfs/dbraw/zinc/47/35/13/599473513.db2.gz DENKLELGDSUBOL-CHWSQXEVSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)CCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339822 599476189 /nfs/dbraw/zinc/47/61/89/599476189.db2.gz GTJYRBDIJLFLSB-INIZCTEOSA-N -1 3 378.480 3.592 20 0 GHADHM C[C@H](NC(=O)N(C)CCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339822 599476191 /nfs/dbraw/zinc/47/61/91/599476191.db2.gz GTJYRBDIJLFLSB-INIZCTEOSA-N -1 3 378.480 3.592 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233421 599482184 /nfs/dbraw/zinc/48/21/84/599482184.db2.gz OPYYETZHKSWZAN-BEFAXECRSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233421 599482185 /nfs/dbraw/zinc/48/21/85/599482185.db2.gz OPYYETZHKSWZAN-BEFAXECRSA-N -1 3 376.464 3.783 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000822586248 599486429 /nfs/dbraw/zinc/48/64/29/599486429.db2.gz VHUANLKTDUWCAU-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000822586248 599486432 /nfs/dbraw/zinc/48/64/32/599486432.db2.gz VHUANLKTDUWCAU-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Oc2nccs2)c1 ZINC000738236548 599501159 /nfs/dbraw/zinc/50/11/59/599501159.db2.gz NNVIENDFSYOHFL-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Oc2nccs2)c1 ZINC000738236548 599501161 /nfs/dbraw/zinc/50/11/61/599501161.db2.gz NNVIENDFSYOHFL-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737181760 599502179 /nfs/dbraw/zinc/50/21/79/599502179.db2.gz JKSHZIKLQZHSCK-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737181760 599502182 /nfs/dbraw/zinc/50/21/82/599502182.db2.gz JKSHZIKLQZHSCK-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(OC2CCCC2)CC1 ZINC000822331993 599509060 /nfs/dbraw/zinc/50/90/60/599509060.db2.gz KHMUWTLLTAADCL-UHFFFAOYSA-N -1 3 378.480 3.651 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(OC2CCCC2)CC1 ZINC000822331993 599509063 /nfs/dbraw/zinc/50/90/63/599509063.db2.gz KHMUWTLLTAADCL-UHFFFAOYSA-N -1 3 378.480 3.651 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321030 599521276 /nfs/dbraw/zinc/52/12/76/599521276.db2.gz BIINXLYNCOFHAC-WBMJQRKESA-N -1 3 389.381 3.780 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321030 599521277 /nfs/dbraw/zinc/52/12/77/599521277.db2.gz BIINXLYNCOFHAC-WBMJQRKESA-N -1 3 389.381 3.780 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1OCCc2ccccc21 ZINC000737627290 599527462 /nfs/dbraw/zinc/52/74/62/599527462.db2.gz OTJNXJZDJZOZRZ-MRXNPFEDSA-N -1 3 375.354 3.611 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738408659 599538445 /nfs/dbraw/zinc/53/84/45/599538445.db2.gz NMJTZUQGGMGHGO-DOTOQJQBSA-N -1 3 378.505 3.565 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738408659 599538446 /nfs/dbraw/zinc/53/84/46/599538446.db2.gz NMJTZUQGGMGHGO-DOTOQJQBSA-N -1 3 378.505 3.565 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccsc1 ZINC000736628633 599540500 /nfs/dbraw/zinc/54/05/00/599540500.db2.gz RXUAFPBNVAUISV-VIFPVBQESA-N -1 3 378.841 3.689 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccsc1 ZINC000736628633 599540501 /nfs/dbraw/zinc/54/05/01/599540501.db2.gz RXUAFPBNVAUISV-VIFPVBQESA-N -1 3 378.841 3.689 20 0 GHADHM O=C(CC/C=C\c1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737827626 599542965 /nfs/dbraw/zinc/54/29/65/599542965.db2.gz ZYWSRJCJASAIMG-WMZJFQQLSA-N -1 3 393.516 3.710 20 0 GHADHM O=C(CC/C=C\c1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737827626 599542967 /nfs/dbraw/zinc/54/29/67/599542967.db2.gz ZYWSRJCJASAIMG-WMZJFQQLSA-N -1 3 393.516 3.710 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396799 599544373 /nfs/dbraw/zinc/54/43/73/599544373.db2.gz IGXWLNBTGWKIKH-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396799 599544374 /nfs/dbraw/zinc/54/43/74/599544374.db2.gz IGXWLNBTGWKIKH-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H]1CSCCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736293759 599557549 /nfs/dbraw/zinc/55/75/49/599557549.db2.gz RHVUTYFDJYYMAK-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@H]1CSCCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736293759 599557551 /nfs/dbraw/zinc/55/75/51/599557551.db2.gz RHVUTYFDJYYMAK-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM Cc1ccc(CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC(F)(F)F)cc1 ZINC000822236160 599584324 /nfs/dbraw/zinc/58/43/24/599584324.db2.gz MFYZNFZPNFUPNY-UHFFFAOYSA-N -1 3 393.388 3.921 20 0 GHADHM Cc1ccc(CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC(F)(F)F)cc1 ZINC000822236160 599584326 /nfs/dbraw/zinc/58/43/26/599584326.db2.gz MFYZNFZPNFUPNY-UHFFFAOYSA-N -1 3 393.388 3.921 20 0 GHADHM C[C@@H](Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136155 599598256 /nfs/dbraw/zinc/59/82/56/599598256.db2.gz DIRGLCLYSHWHOH-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H](Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136155 599598258 /nfs/dbraw/zinc/59/82/58/599598258.db2.gz DIRGLCLYSHWHOH-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422790 599601710 /nfs/dbraw/zinc/60/17/10/599601710.db2.gz RTKBKNOTSBUEAC-TXPKVOOTSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422790 599601711 /nfs/dbraw/zinc/60/17/11/599601711.db2.gz RTKBKNOTSBUEAC-TXPKVOOTSA-N -1 3 390.491 3.824 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736361670 599611286 /nfs/dbraw/zinc/61/12/86/599611286.db2.gz HIDAQPFKHNFDKZ-HNNXBMFYSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736361670 599611287 /nfs/dbraw/zinc/61/12/87/599611287.db2.gz HIDAQPFKHNFDKZ-HNNXBMFYSA-N -1 3 376.342 3.557 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000819883219 599622712 /nfs/dbraw/zinc/62/27/12/599622712.db2.gz FZTZNNIADWYCPW-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000819883219 599622713 /nfs/dbraw/zinc/62/27/13/599622713.db2.gz FZTZNNIADWYCPW-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM CCc1nc2ccccc2c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821509896 599634586 /nfs/dbraw/zinc/63/45/86/599634586.db2.gz ONJYKPYUOVZWTO-CQSZACIVSA-N -1 3 386.459 3.777 20 0 GHADHM CCc1nc2ccccc2c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821509896 599634587 /nfs/dbraw/zinc/63/45/87/599634587.db2.gz ONJYKPYUOVZWTO-CQSZACIVSA-N -1 3 386.459 3.777 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821383713 599646547 /nfs/dbraw/zinc/64/65/47/599646547.db2.gz HZCWKGZXUMVXAD-MRXNPFEDSA-N -1 3 381.480 3.901 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821383713 599646548 /nfs/dbraw/zinc/64/65/48/599646548.db2.gz HZCWKGZXUMVXAD-MRXNPFEDSA-N -1 3 381.480 3.901 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)CCOc1ccccc1 ZINC000820249738 599649427 /nfs/dbraw/zinc/64/94/27/599649427.db2.gz YZSJVRSSEUDDPM-QGZVFWFLSA-N -1 3 393.491 3.709 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)CCOc1ccccc1 ZINC000820249738 599649428 /nfs/dbraw/zinc/64/94/28/599649428.db2.gz YZSJVRSSEUDDPM-QGZVFWFLSA-N -1 3 393.491 3.709 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OCCC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821644929 599664676 /nfs/dbraw/zinc/66/46/76/599664676.db2.gz MSHMDMQQXNWCBI-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OCCC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821644929 599664677 /nfs/dbraw/zinc/66/46/77/599664677.db2.gz MSHMDMQQXNWCBI-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM C[C@@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358377 599670302 /nfs/dbraw/zinc/67/03/02/599670302.db2.gz MXXJUBKSTBARBT-XIKARTHZSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@@H](NC(=O)NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358377 599670303 /nfs/dbraw/zinc/67/03/03/599670303.db2.gz MXXJUBKSTBARBT-XIKARTHZSA-N -1 3 396.417 3.596 20 0 GHADHM Cc1noc(C(F)F)c1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822520079 599695925 /nfs/dbraw/zinc/69/59/25/599695925.db2.gz RENODKJHOHWGPM-UHFFFAOYSA-N -1 3 397.341 3.987 20 0 GHADHM Cc1noc(C(F)F)c1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822520079 599695926 /nfs/dbraw/zinc/69/59/26/599695926.db2.gz RENODKJHOHWGPM-UHFFFAOYSA-N -1 3 397.341 3.987 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)OC(C)(C)C ZINC000772099237 607391214 /nfs/dbraw/zinc/39/12/14/607391214.db2.gz FRJWTKXVJBEOAA-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)OC(C)(C)C ZINC000772099237 607391216 /nfs/dbraw/zinc/39/12/16/607391216.db2.gz FRJWTKXVJBEOAA-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000740024590 599803818 /nfs/dbraw/zinc/80/38/18/599803818.db2.gz FVVYPVKHPCNRCL-UHFFFAOYSA-N -1 3 385.439 3.591 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000739758466 599829013 /nfs/dbraw/zinc/82/90/13/599829013.db2.gz FHIHMIPCSVZOAW-QGZVFWFLSA-N -1 3 387.505 3.724 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820160093 607399557 /nfs/dbraw/zinc/39/95/57/607399557.db2.gz GRGHPKKQILFUNU-AWEZNQCLSA-N -1 3 393.447 3.502 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820160093 607399559 /nfs/dbraw/zinc/39/95/59/607399559.db2.gz GRGHPKKQILFUNU-AWEZNQCLSA-N -1 3 393.447 3.502 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820160973 607400195 /nfs/dbraw/zinc/40/01/95/607400195.db2.gz RCSFCBBSZVYRHM-JKSUJKDBSA-N -1 3 381.411 3.535 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820160973 607400197 /nfs/dbraw/zinc/40/01/97/607400197.db2.gz RCSFCBBSZVYRHM-JKSUJKDBSA-N -1 3 381.411 3.535 20 0 GHADHM Cc1cc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)oc1C(=O)[O-] ZINC000738625729 599956304 /nfs/dbraw/zinc/95/63/04/599956304.db2.gz XAUOWCGSIGCMLN-INIZCTEOSA-N -1 3 385.464 3.628 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000826254717 607410298 /nfs/dbraw/zinc/41/02/98/607410298.db2.gz XZAWIRFYAXABPV-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000826254717 607410299 /nfs/dbraw/zinc/41/02/99/607410299.db2.gz XZAWIRFYAXABPV-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1nc2ccccc2s1 ZINC000826254022 607413315 /nfs/dbraw/zinc/41/33/15/607413315.db2.gz QCZBKVLFEQTTNI-UHFFFAOYSA-N -1 3 397.485 3.620 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1nc2ccccc2s1 ZINC000826254022 607413316 /nfs/dbraw/zinc/41/33/16/607413316.db2.gz QCZBKVLFEQTTNI-UHFFFAOYSA-N -1 3 397.485 3.620 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821230301 607424852 /nfs/dbraw/zinc/42/48/52/607424852.db2.gz FZBAIKJWQPKZTG-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821230301 607424855 /nfs/dbraw/zinc/42/48/55/607424855.db2.gz FZBAIKJWQPKZTG-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CSc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821979048 607425068 /nfs/dbraw/zinc/42/50/68/607425068.db2.gz OIBMIJNRXTXOJI-UHFFFAOYSA-N -1 3 398.492 3.698 20 0 GHADHM CSc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821979048 607425069 /nfs/dbraw/zinc/42/50/69/607425069.db2.gz OIBMIJNRXTXOJI-UHFFFAOYSA-N -1 3 398.492 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C)cc1-c1nnn[n-]1 ZINC000820164138 607427415 /nfs/dbraw/zinc/42/74/15/607427415.db2.gz FAKGUKSKFHGJTC-CQSZACIVSA-N -1 3 392.463 3.805 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C)cc1-c1nn[n-]n1 ZINC000820164138 607427416 /nfs/dbraw/zinc/42/74/16/607427416.db2.gz FAKGUKSKFHGJTC-CQSZACIVSA-N -1 3 392.463 3.805 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000736711849 600206129 /nfs/dbraw/zinc/20/61/29/600206129.db2.gz GFPRKZRCLZWQMM-HOTGVXAUSA-N -1 3 386.517 3.502 20 0 GHADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(OC(C)C)c(-c3nnn[n-]3)c1)C2 ZINC000822340800 607434022 /nfs/dbraw/zinc/43/40/22/607434022.db2.gz IKVVBIRNRKCSKJ-UHFFFAOYSA-N -1 3 392.463 3.553 20 0 GHADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(OC(C)C)c(-c3nn[n-]n3)c1)C2 ZINC000822340800 607434024 /nfs/dbraw/zinc/43/40/24/607434024.db2.gz IKVVBIRNRKCSKJ-UHFFFAOYSA-N -1 3 392.463 3.553 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812543 607435257 /nfs/dbraw/zinc/43/52/57/607435257.db2.gz MHHQVHXQOXXGCU-HNNXBMFYSA-N -1 3 375.354 3.566 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812543 607435258 /nfs/dbraw/zinc/43/52/58/607435258.db2.gz MHHQVHXQOXXGCU-HNNXBMFYSA-N -1 3 375.354 3.566 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(Br)cc1 ZINC000426795193 600299796 /nfs/dbraw/zinc/29/97/96/600299796.db2.gz WERGVHRZNXAGTN-INIZCTEOSA-N -1 3 387.233 3.618 20 0 GHADHM COc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1OCCC(C)C ZINC000826176806 607439031 /nfs/dbraw/zinc/43/90/31/607439031.db2.gz FEDVSFKOHMCFEV-UHFFFAOYSA-N -1 3 395.463 3.577 20 0 GHADHM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1OCCC(C)C ZINC000826176806 607439032 /nfs/dbraw/zinc/43/90/32/607439032.db2.gz FEDVSFKOHMCFEV-UHFFFAOYSA-N -1 3 395.463 3.577 20 0 GHADHM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834242 607440112 /nfs/dbraw/zinc/44/01/12/607440112.db2.gz STQWDNNWLJZRNQ-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834242 607440113 /nfs/dbraw/zinc/44/01/13/607440113.db2.gz STQWDNNWLJZRNQ-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737369437 600389128 /nfs/dbraw/zinc/38/91/28/600389128.db2.gz IAUWNGMTNFATBT-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737370498 600401259 /nfs/dbraw/zinc/40/12/59/600401259.db2.gz RGDVVAIEYRBASW-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000738761277 600434425 /nfs/dbraw/zinc/43/44/25/600434425.db2.gz RVLLRAAAKYAHMJ-FUHWJXTLSA-N -1 3 381.476 3.579 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(COC2CCOCC2)c1)c1cccc(Cl)c1 ZINC000739499319 600436838 /nfs/dbraw/zinc/43/68/38/600436838.db2.gz IQYNCLDZJINXAF-HXUWFJFHSA-N -1 3 389.879 3.951 20 0 GHADHM Cc1cc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)s1 ZINC000826261710 607450359 /nfs/dbraw/zinc/45/03/59/607450359.db2.gz OZPXGVLXTWRRCZ-LBPRGKRZSA-N -1 3 382.493 3.595 20 0 GHADHM Cc1cc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)s1 ZINC000826261710 607450361 /nfs/dbraw/zinc/45/03/61/607450361.db2.gz OZPXGVLXTWRRCZ-LBPRGKRZSA-N -1 3 382.493 3.595 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000826306008 607457468 /nfs/dbraw/zinc/45/74/68/607457468.db2.gz NZQGVBZLFAETFN-IBGZPJMESA-N -1 3 390.491 3.861 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000826306008 607457469 /nfs/dbraw/zinc/45/74/69/607457469.db2.gz NZQGVBZLFAETFN-IBGZPJMESA-N -1 3 390.491 3.861 20 0 GHADHM COC(=O)c1ccc(OCCN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000831440142 600747763 /nfs/dbraw/zinc/74/77/63/600747763.db2.gz QXSDIQGJPQSJED-INIZCTEOSA-N -1 3 398.242 3.574 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000736715060 600794070 /nfs/dbraw/zinc/79/40/70/600794070.db2.gz LKNKJLUFOWRBGC-INIZCTEOSA-N -1 3 396.487 3.942 20 0 GHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000738956412 600796123 /nfs/dbraw/zinc/79/61/23/600796123.db2.gz ARQZOLMLLCSMNK-UHFFFAOYSA-N -1 3 396.487 3.689 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000832982278 600798072 /nfs/dbraw/zinc/79/80/72/600798072.db2.gz RBEJIJZMHMKEIM-RKVPGOIHSA-N -1 3 384.501 3.738 20 0 GHADHM CCc1nccn1[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000830328880 600827523 /nfs/dbraw/zinc/82/75/23/600827523.db2.gz XPFGVMMIQZXPSZ-HNNXBMFYSA-N -1 3 377.872 3.513 20 0 GHADHM O=C([O-])[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccc(Br)cc1 ZINC000833164979 600999161 /nfs/dbraw/zinc/99/91/61/600999161.db2.gz DZTCRIKFFKSRFD-CQSZACIVSA-N -1 3 398.640 3.747 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822741305 607487950 /nfs/dbraw/zinc/48/79/50/607487950.db2.gz UTUUMCCLYMLDQC-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822741305 607487952 /nfs/dbraw/zinc/48/79/52/607487952.db2.gz UTUUMCCLYMLDQC-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323173 607507211 /nfs/dbraw/zinc/50/72/11/607507211.db2.gz FCJIYUPNAKJJDX-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323173 607507213 /nfs/dbraw/zinc/50/72/13/607507213.db2.gz FCJIYUPNAKJJDX-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823963223 607509220 /nfs/dbraw/zinc/50/92/20/607509220.db2.gz YKMNNRHUNGXNFI-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823963223 607509221 /nfs/dbraw/zinc/50/92/21/607509221.db2.gz YKMNNRHUNGXNFI-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM COc1cc(NC2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)cc(OC)c1 ZINC000832026203 601650621 /nfs/dbraw/zinc/65/06/21/601650621.db2.gz JHQOCKYYONAKAA-UHFFFAOYSA-N -1 3 390.505 3.848 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000826043984 601652139 /nfs/dbraw/zinc/65/21/39/601652139.db2.gz AJHLYSNPDWYAOF-AQKFKSFVSA-N -1 3 380.488 3.574 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826176552 607522840 /nfs/dbraw/zinc/52/28/40/607522840.db2.gz UJQKAWJOFBAOEI-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826176552 607522842 /nfs/dbraw/zinc/52/28/42/607522842.db2.gz UJQKAWJOFBAOEI-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC(N2CCCCC2=O)CC1 ZINC000833347534 602029730 /nfs/dbraw/zinc/02/97/30/602029730.db2.gz KDOPOUWBFSYOIR-UHFFFAOYSA-N -1 3 390.480 3.716 20 0 GHADHM COc1ccc(CSc2ncnc3sc(C)c(C)c32)cc1-c1nnn[n-]1 ZINC000826208030 607540843 /nfs/dbraw/zinc/54/08/43/607540843.db2.gz PSIZTALZALMUJH-UHFFFAOYSA-N -1 3 384.490 3.789 20 0 GHADHM COc1ccc(CSc2ncnc3sc(C)c(C)c32)cc1-c1nn[n-]n1 ZINC000826208030 607540844 /nfs/dbraw/zinc/54/08/44/607540844.db2.gz PSIZTALZALMUJH-UHFFFAOYSA-N -1 3 384.490 3.789 20 0 GHADHM CN(C)Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000830620611 602261324 /nfs/dbraw/zinc/26/13/24/602261324.db2.gz XRNHRJCQPVHQDX-UHFFFAOYSA-N -1 3 378.428 3.617 20 0 GHADHM O=C([O-])Nc1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)ccc1F ZINC000740696103 602487373 /nfs/dbraw/zinc/48/73/73/602487373.db2.gz NSQSIGVASYMPJA-KRWDZBQOSA-N -1 3 385.439 3.700 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccsc1 ZINC000739405414 602500186 /nfs/dbraw/zinc/50/01/86/602500186.db2.gz BYXDOHSBAIZINR-INIZCTEOSA-N -1 3 379.457 3.790 20 0 GHADHM CN(C(=O)c1cc(Cl)cc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825825783 607578656 /nfs/dbraw/zinc/57/86/56/607578656.db2.gz JAYVQGVNOVPPJD-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cc(Cl)cc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825825783 607578658 /nfs/dbraw/zinc/57/86/58/607578658.db2.gz JAYVQGVNOVPPJD-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1NC(=O)[O-] ZINC000830192963 602985042 /nfs/dbraw/zinc/98/50/42/602985042.db2.gz QUJFQGDXLVDVNA-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000826245263 607664857 /nfs/dbraw/zinc/66/48/57/607664857.db2.gz SKTWJODKGOEPHC-KRWDZBQOSA-N -1 3 386.459 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000826245263 607664860 /nfs/dbraw/zinc/66/48/60/607664860.db2.gz SKTWJODKGOEPHC-KRWDZBQOSA-N -1 3 386.459 3.676 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000826246420 607670639 /nfs/dbraw/zinc/67/06/39/607670639.db2.gz CUNVQCNKHNHOQS-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000826246420 607670642 /nfs/dbraw/zinc/67/06/42/607670642.db2.gz CUNVQCNKHNHOQS-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@@H](C)C2CC2)cc1 ZINC000826209262 607677994 /nfs/dbraw/zinc/67/79/94/607677994.db2.gz UJQCOVXHJPFHKV-AWEZNQCLSA-N -1 3 377.448 3.629 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@@H](C)C2CC2)cc1 ZINC000826209262 607677995 /nfs/dbraw/zinc/67/79/95/607677995.db2.gz UJQCOVXHJPFHKV-AWEZNQCLSA-N -1 3 377.448 3.629 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000826244936 607684966 /nfs/dbraw/zinc/68/49/66/607684966.db2.gz INPNERVKFAURSR-GOSISDBHSA-N -1 3 379.439 3.552 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000826244936 607684968 /nfs/dbraw/zinc/68/49/68/607684968.db2.gz INPNERVKFAURSR-GOSISDBHSA-N -1 3 379.439 3.552 20 0 GHADHM COc1ccccc1NC(=O)C1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000832623965 604381699 /nfs/dbraw/zinc/38/16/99/604381699.db2.gz XQMWNNLKXWVYMH-CQSZACIVSA-N -1 3 386.448 3.707 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000826245430 607695768 /nfs/dbraw/zinc/69/57/68/607695768.db2.gz XSTNHFNTYCLJJF-HNNXBMFYSA-N -1 3 396.520 3.775 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000826245430 607695770 /nfs/dbraw/zinc/69/57/70/607695770.db2.gz XSTNHFNTYCLJJF-HNNXBMFYSA-N -1 3 396.520 3.775 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000833731696 604526510 /nfs/dbraw/zinc/52/65/10/604526510.db2.gz CLYJXZFXJDYZPB-BEFAXECRSA-N -1 3 385.460 3.893 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000826244245 607701707 /nfs/dbraw/zinc/70/17/07/607701707.db2.gz LMMFQISMRKKDHG-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000826244245 607701708 /nfs/dbraw/zinc/70/17/08/607701708.db2.gz LMMFQISMRKKDHG-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000824319606 607704468 /nfs/dbraw/zinc/70/44/68/607704468.db2.gz VTZIVHQSCZCRSR-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000824319606 607704470 /nfs/dbraw/zinc/70/44/70/607704470.db2.gz VTZIVHQSCZCRSR-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CCN1CCN(c2ccc(NCc3cc(C)c(OCC(=O)[O-])c(C)c3)cc2)CC1 ZINC000829781452 604642158 /nfs/dbraw/zinc/64/21/58/604642158.db2.gz XIKHNZFOHDLMPA-UHFFFAOYSA-N -1 3 397.519 3.521 20 0 GHADHM Cc1cccc(C2(O)CCN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2)c1C ZINC000833752330 604663823 /nfs/dbraw/zinc/66/38/23/604663823.db2.gz HDPDXUBGQUWUMZ-SFHVURJKSA-N -1 3 383.488 3.639 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)c1 ZINC000826214910 607707121 /nfs/dbraw/zinc/70/71/21/607707121.db2.gz APEOCZILOHANTI-UHFFFAOYSA-N -1 3 389.459 3.503 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)c1 ZINC000826214910 607707123 /nfs/dbraw/zinc/70/71/23/607707123.db2.gz APEOCZILOHANTI-UHFFFAOYSA-N -1 3 389.459 3.503 20 0 GHADHM O=C([O-])c1cc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c[nH]1 ZINC000833779607 604774037 /nfs/dbraw/zinc/77/40/37/604774037.db2.gz NYWQQJUCWTYHEG-HNNXBMFYSA-N -1 3 386.496 3.988 20 0 GHADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385621 607722884 /nfs/dbraw/zinc/72/28/84/607722884.db2.gz XUUIZTFUTBKMNV-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385621 607722886 /nfs/dbraw/zinc/72/28/86/607722886.db2.gz XUUIZTFUTBKMNV-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM CC1(C)CCC(CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824795925 607743521 /nfs/dbraw/zinc/74/35/21/607743521.db2.gz JCIMEHCQGUOCDU-UHFFFAOYSA-N -1 3 396.539 3.558 20 0 GHADHM CC1(C)CCC(CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000824795925 607743522 /nfs/dbraw/zinc/74/35/22/607743522.db2.gz JCIMEHCQGUOCDU-UHFFFAOYSA-N -1 3 396.539 3.558 20 0 GHADHM CC[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825082039 607745763 /nfs/dbraw/zinc/74/57/63/607745763.db2.gz PETKPFZFIFQXGR-LSDHHAIUSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825082039 607745764 /nfs/dbraw/zinc/74/57/64/607745764.db2.gz PETKPFZFIFQXGR-LSDHHAIUSA-N -1 3 379.464 3.636 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824915726 607757302 /nfs/dbraw/zinc/75/73/02/607757302.db2.gz HTPJZQKLQSNGHU-TYILLQQXSA-N -1 3 376.464 3.866 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824915726 607757303 /nfs/dbraw/zinc/75/73/03/607757303.db2.gz HTPJZQKLQSNGHU-TYILLQQXSA-N -1 3 376.464 3.866 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825531296 607759201 /nfs/dbraw/zinc/75/92/01/607759201.db2.gz IGOQWINZVMIPNY-ZDUSSCGKSA-N -1 3 394.435 3.567 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825531296 607759202 /nfs/dbraw/zinc/75/92/02/607759202.db2.gz IGOQWINZVMIPNY-ZDUSSCGKSA-N -1 3 394.435 3.567 20 0 GHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000834261316 605595217 /nfs/dbraw/zinc/59/52/17/605595217.db2.gz BSEDGEGYGOCJOA-HXUWFJFHSA-N -1 3 379.460 3.790 20 0 GHADHM O=C([O-])Nc1cccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000834269512 605595460 /nfs/dbraw/zinc/59/54/60/605595460.db2.gz WPWHJTUFTHSJBA-UHFFFAOYSA-N -1 3 379.460 3.833 20 0 GHADHM CCOc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825654242 607771171 /nfs/dbraw/zinc/77/11/71/607771171.db2.gz TYLWAOGXNVLFKA-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825654242 607771172 /nfs/dbraw/zinc/77/11/72/607771172.db2.gz TYLWAOGXNVLFKA-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822230627 606032075 /nfs/dbraw/zinc/03/20/75/606032075.db2.gz MBFQGRLOGWOUNU-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822230627 606032081 /nfs/dbraw/zinc/03/20/81/606032081.db2.gz MBFQGRLOGWOUNU-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821431775 606034605 /nfs/dbraw/zinc/03/46/05/606034605.db2.gz ZLADUIGAIDGWNT-LJQANCHMSA-N -1 3 393.491 3.712 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821431775 606034611 /nfs/dbraw/zinc/03/46/11/606034611.db2.gz ZLADUIGAIDGWNT-LJQANCHMSA-N -1 3 393.491 3.712 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)cc1OC ZINC000821708749 606043491 /nfs/dbraw/zinc/04/34/91/606043491.db2.gz YNCUEYSQCWLBFF-ZDUSSCGKSA-N -1 3 390.447 3.914 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)cc1OC ZINC000821708749 606043498 /nfs/dbraw/zinc/04/34/98/606043498.db2.gz YNCUEYSQCWLBFF-ZDUSSCGKSA-N -1 3 390.447 3.914 20 0 GHADHM O[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000823689669 606085645 /nfs/dbraw/zinc/08/56/45/606085645.db2.gz IKLXEYZQUMRHLF-FQEVSTJZSA-N -1 3 382.427 3.714 20 0 GHADHM O[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000823689669 606085649 /nfs/dbraw/zinc/08/56/49/606085649.db2.gz IKLXEYZQUMRHLF-FQEVSTJZSA-N -1 3 382.427 3.714 20 0 GHADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774358 606091217 /nfs/dbraw/zinc/09/12/17/606091217.db2.gz BHNGXUWGTBOPTF-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774358 606091220 /nfs/dbraw/zinc/09/12/20/606091220.db2.gz BHNGXUWGTBOPTF-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822262521 606106000 /nfs/dbraw/zinc/10/60/00/606106000.db2.gz AOLKMMYCXRGZPD-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822262521 606106002 /nfs/dbraw/zinc/10/60/02/606106002.db2.gz AOLKMMYCXRGZPD-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N(C1CC1)C1CCCC1 ZINC000823302952 606116168 /nfs/dbraw/zinc/11/61/68/606116168.db2.gz BEMHKRBCPCCXPA-UHFFFAOYSA-N -1 3 380.374 3.824 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N(C1CC1)C1CCCC1 ZINC000823302952 606116169 /nfs/dbraw/zinc/11/61/69/606116169.db2.gz BEMHKRBCPCCXPA-UHFFFAOYSA-N -1 3 380.374 3.824 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1scnc1C(C)(C)C ZINC000820087163 606147797 /nfs/dbraw/zinc/14/77/97/606147797.db2.gz MNFCNVCJRISJKK-UHFFFAOYSA-N -1 3 398.536 3.919 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1scnc1C(C)(C)C ZINC000820087163 606147798 /nfs/dbraw/zinc/14/77/98/606147798.db2.gz MNFCNVCJRISJKK-UHFFFAOYSA-N -1 3 398.536 3.919 20 0 GHADHM CCc1c(C)sc(NC(=O)C2CC(OCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000821465770 606148119 /nfs/dbraw/zinc/14/81/19/606148119.db2.gz OPSKWZBKXDOARK-UHFFFAOYSA-N -1 3 397.504 3.733 20 0 GHADHM CCc1c(C)sc(NC(=O)C2CC(OCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000821465770 606148121 /nfs/dbraw/zinc/14/81/21/606148121.db2.gz OPSKWZBKXDOARK-UHFFFAOYSA-N -1 3 397.504 3.733 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000820087078 606154640 /nfs/dbraw/zinc/15/46/40/606154640.db2.gz KLEOQCFEFLSDHN-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(F)c1F ZINC000820087078 606154643 /nfs/dbraw/zinc/15/46/43/606154643.db2.gz KLEOQCFEFLSDHN-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823387160 606183792 /nfs/dbraw/zinc/18/37/92/606183792.db2.gz FADQVGPRJNNSDG-UHFFFAOYSA-N -1 3 380.408 3.745 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823387160 606183794 /nfs/dbraw/zinc/18/37/94/606183794.db2.gz FADQVGPRJNNSDG-UHFFFAOYSA-N -1 3 380.408 3.745 20 0 GHADHM CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1c2ccccc2-c2ccccc21 ZINC000821572031 606185571 /nfs/dbraw/zinc/18/55/71/606185571.db2.gz OVGMDJJGZUMLOP-UHFFFAOYSA-N -1 3 396.454 3.778 20 0 GHADHM CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1c2ccccc2-c2ccccc21 ZINC000821572031 606185573 /nfs/dbraw/zinc/18/55/73/606185573.db2.gz OVGMDJJGZUMLOP-UHFFFAOYSA-N -1 3 396.454 3.778 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)n2)cc1C ZINC000822192094 606210845 /nfs/dbraw/zinc/21/08/45/606210845.db2.gz YQNDBPUWFJCTRB-UHFFFAOYSA-N -1 3 393.476 3.506 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)n2)cc1C ZINC000822192094 606210847 /nfs/dbraw/zinc/21/08/47/606210847.db2.gz YQNDBPUWFJCTRB-UHFFFAOYSA-N -1 3 393.476 3.506 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820571481 606219624 /nfs/dbraw/zinc/21/96/24/606219624.db2.gz ZHBPZUVXVXNMGN-MRXNPFEDSA-N -1 3 386.459 3.609 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820571481 606219625 /nfs/dbraw/zinc/21/96/25/606219625.db2.gz ZHBPZUVXVXNMGN-MRXNPFEDSA-N -1 3 386.459 3.609 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822206030 606223448 /nfs/dbraw/zinc/22/34/48/606223448.db2.gz RKDCPXGTQHTUAV-RTBURBONSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822206030 606223449 /nfs/dbraw/zinc/22/34/49/606223449.db2.gz RKDCPXGTQHTUAV-RTBURBONSA-N -1 3 391.450 3.894 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@@H]1C[C@@H]1C1CC1 ZINC000823383078 606233440 /nfs/dbraw/zinc/23/34/40/606233440.db2.gz KTFZYAMZOWZNON-ZIAGYGMSSA-N -1 3 377.473 3.678 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@@H]1C[C@@H]1C1CC1 ZINC000823383078 606233442 /nfs/dbraw/zinc/23/34/42/606233442.db2.gz KTFZYAMZOWZNON-ZIAGYGMSSA-N -1 3 377.473 3.678 20 0 GHADHM O=C(OCc1cscn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823440110 606237504 /nfs/dbraw/zinc/23/75/04/606237504.db2.gz CLZJNSPMQIMEKF-UHFFFAOYSA-N -1 3 395.469 3.831 20 0 GHADHM O=C(OCc1cscn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823440110 606237506 /nfs/dbraw/zinc/23/75/06/606237506.db2.gz CLZJNSPMQIMEKF-UHFFFAOYSA-N -1 3 395.469 3.831 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000821573417 606241280 /nfs/dbraw/zinc/24/12/80/606241280.db2.gz PIBUIJJMBPXXKB-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000821573417 606241281 /nfs/dbraw/zinc/24/12/81/606241281.db2.gz PIBUIJJMBPXXKB-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM Cc1occc1CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822554222 606260759 /nfs/dbraw/zinc/26/07/59/606260759.db2.gz XCCGKJIIAPSPIJ-UHFFFAOYSA-N -1 3 391.456 3.849 20 0 GHADHM Cc1occc1CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822554222 606260760 /nfs/dbraw/zinc/26/07/60/606260760.db2.gz XCCGKJIIAPSPIJ-UHFFFAOYSA-N -1 3 391.456 3.849 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820648643 606278512 /nfs/dbraw/zinc/27/85/12/606278512.db2.gz DSJBXFXCTFDSPU-UONOGXRCSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820648643 606278513 /nfs/dbraw/zinc/27/85/13/606278513.db2.gz DSJBXFXCTFDSPU-UONOGXRCSA-N -1 3 379.489 3.888 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000821119350 606283278 /nfs/dbraw/zinc/28/32/78/606283278.db2.gz XTNUXVBOMXMPII-HIFRSBDPSA-N -1 3 398.417 3.709 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)sn1 ZINC000822209556 606298167 /nfs/dbraw/zinc/29/81/67/606298167.db2.gz NRTJWMWLRSVNNK-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821455918 606326544 /nfs/dbraw/zinc/32/65/44/606326544.db2.gz MSTFLONKPMLUJE-MOPGFXCFSA-N -1 3 393.516 3.938 20 0 GHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821455918 606326546 /nfs/dbraw/zinc/32/65/46/606326546.db2.gz MSTFLONKPMLUJE-MOPGFXCFSA-N -1 3 393.516 3.938 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233471 606343729 /nfs/dbraw/zinc/34/37/29/606343729.db2.gz PSTQINFAEDLIEW-BEVDRBHNSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233471 606343730 /nfs/dbraw/zinc/34/37/30/606343730.db2.gz PSTQINFAEDLIEW-BEVDRBHNSA-N -1 3 392.459 3.947 20 0 GHADHM COc1ccc(C2(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC000821783150 606353316 /nfs/dbraw/zinc/35/33/16/606353316.db2.gz XPHROIZKFJLHLF-CQSZACIVSA-N -1 3 378.432 3.601 20 0 GHADHM COc1ccc(C2(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC000821783150 606353319 /nfs/dbraw/zinc/35/33/19/606353319.db2.gz XPHROIZKFJLHLF-CQSZACIVSA-N -1 3 378.432 3.601 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccc(Cl)n1 ZINC000823453992 606360506 /nfs/dbraw/zinc/36/05/06/606360506.db2.gz HWEKTEOQKVYMAU-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823250471 606392470 /nfs/dbraw/zinc/39/24/70/606392470.db2.gz YPDSTSDAWWNZAU-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823250471 606392471 /nfs/dbraw/zinc/39/24/71/606392471.db2.gz YPDSTSDAWWNZAU-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822424695 606409434 /nfs/dbraw/zinc/40/94/34/606409434.db2.gz ZLMQRZRLZWKNTE-LBPRGKRZSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822424695 606409436 /nfs/dbraw/zinc/40/94/36/606409436.db2.gz ZLMQRZRLZWKNTE-LBPRGKRZSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000822210959 606413382 /nfs/dbraw/zinc/41/33/82/606413382.db2.gz YRVGPOHMONYAMF-UHFFFAOYSA-N -1 3 399.810 3.768 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000822210959 606413383 /nfs/dbraw/zinc/41/33/83/606413383.db2.gz YRVGPOHMONYAMF-UHFFFAOYSA-N -1 3 399.810 3.768 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000820511671 606437158 /nfs/dbraw/zinc/43/71/58/606437158.db2.gz ASNFDKFOWXVCQM-VXGBXAGGSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000820511671 606437159 /nfs/dbraw/zinc/43/71/59/606437159.db2.gz ASNFDKFOWXVCQM-VXGBXAGGSA-N -1 3 379.445 3.825 20 0 GHADHM COc1c(Br)cc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821698599 606441883 /nfs/dbraw/zinc/44/18/83/606441883.db2.gz QQUDMVWTMWUFAH-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1c(Br)cc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821698599 606441885 /nfs/dbraw/zinc/44/18/85/606441885.db2.gz QQUDMVWTMWUFAH-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823732399 606473068 /nfs/dbraw/zinc/47/30/68/606473068.db2.gz LXANBMLLJLDEOF-ZIAGYGMSSA-N -1 3 394.957 3.577 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823732399 606473069 /nfs/dbraw/zinc/47/30/69/606473069.db2.gz LXANBMLLJLDEOF-ZIAGYGMSSA-N -1 3 394.957 3.577 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1ccccc1)c1ccccc1 ZINC000823466673 606500185 /nfs/dbraw/zinc/50/01/85/606500185.db2.gz OAXOQHWEJOKXNV-UHFFFAOYSA-N -1 3 375.457 3.818 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1ccccc1)c1ccccc1 ZINC000823466673 606500188 /nfs/dbraw/zinc/50/01/88/606500188.db2.gz OAXOQHWEJOKXNV-UHFFFAOYSA-N -1 3 375.457 3.818 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000823093020 606502408 /nfs/dbraw/zinc/50/24/08/606502408.db2.gz RPWBCSNPFOJRCV-QFIPXVFZSA-N -1 3 395.466 3.584 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000823093020 606502409 /nfs/dbraw/zinc/50/24/09/606502409.db2.gz RPWBCSNPFOJRCV-QFIPXVFZSA-N -1 3 395.466 3.584 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563063 606504794 /nfs/dbraw/zinc/50/47/94/606504794.db2.gz MTZLSSFQAMCVDK-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563063 606504796 /nfs/dbraw/zinc/50/47/96/606504796.db2.gz MTZLSSFQAMCVDK-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c(F)c1 ZINC000822226108 606511777 /nfs/dbraw/zinc/51/17/77/606511777.db2.gz CWAPSBREFNGMHQ-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c(F)c1 ZINC000822226108 606511779 /nfs/dbraw/zinc/51/17/79/606511779.db2.gz CWAPSBREFNGMHQ-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000822266946 606513489 /nfs/dbraw/zinc/51/34/89/606513489.db2.gz KYNZHFCKMULGOM-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000822266946 606513490 /nfs/dbraw/zinc/51/34/90/606513490.db2.gz KYNZHFCKMULGOM-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C1CCCC1 ZINC000819858182 606526842 /nfs/dbraw/zinc/52/68/42/606526842.db2.gz ZXGJVOBNPJALPW-LBPRGKRZSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C1CCCC1 ZINC000819858182 606526844 /nfs/dbraw/zinc/52/68/44/606526844.db2.gz ZXGJVOBNPJALPW-LBPRGKRZSA-N -1 3 381.402 3.584 20 0 GHADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823161023 606540536 /nfs/dbraw/zinc/54/05/36/606540536.db2.gz JYEGRPNMZKLNQS-KRWDZBQOSA-N -1 3 389.484 3.685 20 0 GHADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823161023 606540538 /nfs/dbraw/zinc/54/05/38/606540538.db2.gz JYEGRPNMZKLNQS-KRWDZBQOSA-N -1 3 389.484 3.685 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(CCc2ccccc2)ccn1 ZINC000822978227 606544664 /nfs/dbraw/zinc/54/46/64/606544664.db2.gz GVXONLCWJMSQSW-UHFFFAOYSA-N -1 3 398.470 3.618 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(CCc2ccccc2)ccn1 ZINC000822978227 606544666 /nfs/dbraw/zinc/54/46/66/606544666.db2.gz GVXONLCWJMSQSW-UHFFFAOYSA-N -1 3 398.470 3.618 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823466405 606548219 /nfs/dbraw/zinc/54/82/19/606548219.db2.gz LQYLWALDJXAAFP-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823466405 606548221 /nfs/dbraw/zinc/54/82/21/606548221.db2.gz LQYLWALDJXAAFP-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=c1nc(SCc2ccc(-c3nnn[n-]3)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000823656811 606548427 /nfs/dbraw/zinc/54/84/27/606548427.db2.gz JEUMPKXRNMBWLN-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM O=c1nc(SCc2ccc(-c3nn[n-]n3)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000823656811 606548429 /nfs/dbraw/zinc/54/84/29/606548429.db2.gz JEUMPKXRNMBWLN-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(F)c1Cl ZINC000823422583 606561946 /nfs/dbraw/zinc/56/19/46/606561946.db2.gz XIBGMLNUKGQLPL-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(F)c1Cl ZINC000823422583 606561948 /nfs/dbraw/zinc/56/19/48/606561948.db2.gz XIBGMLNUKGQLPL-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820882383 606567175 /nfs/dbraw/zinc/56/71/75/606567175.db2.gz QHZXTFXSIXWNGU-RYUDHWBXSA-N -1 3 399.476 3.626 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820882383 606567176 /nfs/dbraw/zinc/56/71/76/606567176.db2.gz QHZXTFXSIXWNGU-RYUDHWBXSA-N -1 3 399.476 3.626 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000822000689 606570709 /nfs/dbraw/zinc/57/07/09/606570709.db2.gz TULVUJFTMHMRJL-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000822000689 606570710 /nfs/dbraw/zinc/57/07/10/606570710.db2.gz TULVUJFTMHMRJL-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@H]1C ZINC000820717974 606577471 /nfs/dbraw/zinc/57/74/71/606577471.db2.gz ZLPFVLVCZGJDAN-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000820717974 606577472 /nfs/dbraw/zinc/57/74/72/606577472.db2.gz ZLPFVLVCZGJDAN-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822929267 606578945 /nfs/dbraw/zinc/57/89/45/606578945.db2.gz RLBGUTOKMHNIEV-KHPPLWFESA-N -1 3 397.438 3.725 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822929267 606578947 /nfs/dbraw/zinc/57/89/47/606578947.db2.gz RLBGUTOKMHNIEV-KHPPLWFESA-N -1 3 397.438 3.725 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482872 606579157 /nfs/dbraw/zinc/57/91/57/606579157.db2.gz VZAVINFPEMDUBH-KSSFIOAISA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482872 606579158 /nfs/dbraw/zinc/57/91/58/606579158.db2.gz VZAVINFPEMDUBH-KSSFIOAISA-N -1 3 379.464 3.564 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823344170 606579862 /nfs/dbraw/zinc/57/98/62/606579862.db2.gz SQPURLDYEIVINI-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823344170 606579863 /nfs/dbraw/zinc/57/98/63/606579863.db2.gz SQPURLDYEIVINI-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM CC(C)CCCCCC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820073156 606592404 /nfs/dbraw/zinc/59/24/04/606592404.db2.gz RLRCOACHWAAOOW-UHFFFAOYSA-N -1 3 384.528 3.558 20 0 GHADHM CC(C)CCCCCC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820073156 606592406 /nfs/dbraw/zinc/59/24/06/606592406.db2.gz RLRCOACHWAAOOW-UHFFFAOYSA-N -1 3 384.528 3.558 20 0 GHADHM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148878 606602162 /nfs/dbraw/zinc/60/21/62/606602162.db2.gz PPVRBAGRZLNCFH-JKSUJKDBSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148878 606602164 /nfs/dbraw/zinc/60/21/64/606602164.db2.gz PPVRBAGRZLNCFH-JKSUJKDBSA-N -1 3 393.491 3.979 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cnccc1-c1cccc(F)c1 ZINC000822978625 606606698 /nfs/dbraw/zinc/60/66/98/606606698.db2.gz OGXJLHANYCQALP-UHFFFAOYSA-N -1 3 388.406 3.639 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cnccc1-c1cccc(F)c1 ZINC000822978625 606606701 /nfs/dbraw/zinc/60/67/01/606606701.db2.gz OGXJLHANYCQALP-UHFFFAOYSA-N -1 3 388.406 3.639 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820675098 606619243 /nfs/dbraw/zinc/61/92/43/606619243.db2.gz HUTRKEWMDOLSRW-KECPUOCWSA-N -1 3 376.420 3.739 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)C1CC(F)(F)C1 ZINC000823383765 606623281 /nfs/dbraw/zinc/62/32/81/606623281.db2.gz ZGFKXZRWDDLKQO-UHFFFAOYSA-N -1 3 387.415 3.678 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)C1CC(F)(F)C1 ZINC000823383765 606623282 /nfs/dbraw/zinc/62/32/82/606623282.db2.gz ZGFKXZRWDDLKQO-UHFFFAOYSA-N -1 3 387.415 3.678 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456059 606626883 /nfs/dbraw/zinc/62/68/83/606626883.db2.gz MYMBGTNFUPCLKN-KBPBESRZSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456059 606626885 /nfs/dbraw/zinc/62/68/85/606626885.db2.gz MYMBGTNFUPCLKN-KBPBESRZSA-N -1 3 396.973 3.871 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)c1cccs1 ZINC000820335463 606628079 /nfs/dbraw/zinc/62/80/79/606628079.db2.gz YRCRTIMTMJKTTE-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1)c1cccs1 ZINC000820335463 606628080 /nfs/dbraw/zinc/62/80/80/606628080.db2.gz YRCRTIMTMJKTTE-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000822444250 606656729 /nfs/dbraw/zinc/65/67/29/606656729.db2.gz IUCNBBRRUMCLOK-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000822444250 606656730 /nfs/dbraw/zinc/65/67/30/606656730.db2.gz IUCNBBRRUMCLOK-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823303433 606658473 /nfs/dbraw/zinc/65/84/73/606658473.db2.gz IKUPQOXTLJZFHZ-HZMBPMFUSA-N -1 3 380.374 3.682 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823303433 606658474 /nfs/dbraw/zinc/65/84/74/606658474.db2.gz IKUPQOXTLJZFHZ-HZMBPMFUSA-N -1 3 380.374 3.682 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCCC2 ZINC000820384362 606662801 /nfs/dbraw/zinc/66/28/01/606662801.db2.gz CJDKJLQFRHPUKY-LLVKDONJSA-N -1 3 383.402 3.515 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCCC2 ZINC000820384362 606662802 /nfs/dbraw/zinc/66/28/02/606662802.db2.gz CJDKJLQFRHPUKY-LLVKDONJSA-N -1 3 383.402 3.515 20 0 GHADHM CCc1ccc2nc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)sc2c1 ZINC000821486622 606665418 /nfs/dbraw/zinc/66/54/18/606665418.db2.gz IXXVOWFPTSDESP-UHFFFAOYSA-N -1 3 386.387 3.569 20 0 GHADHM CCc1ccc2nc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)sc2c1 ZINC000821486622 606665419 /nfs/dbraw/zinc/66/54/19/606665419.db2.gz IXXVOWFPTSDESP-UHFFFAOYSA-N -1 3 386.387 3.569 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820292336 606667678 /nfs/dbraw/zinc/66/76/78/606667678.db2.gz CWKYPOBICOQXJG-QWHCGFSZSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820292336 606667679 /nfs/dbraw/zinc/66/76/79/606667679.db2.gz CWKYPOBICOQXJG-QWHCGFSZSA-N -1 3 385.468 3.611 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820919252 606668751 /nfs/dbraw/zinc/66/87/51/606668751.db2.gz AKSFVCVWDGTYHW-AWEZNQCLSA-N -1 3 377.782 3.679 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820919252 606668752 /nfs/dbraw/zinc/66/87/52/606668752.db2.gz AKSFVCVWDGTYHW-AWEZNQCLSA-N -1 3 377.782 3.679 20 0 GHADHM CC[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820981020 606670296 /nfs/dbraw/zinc/67/02/96/606670296.db2.gz NWRFFQXEZTWHGW-ZDUSSCGKSA-N -1 3 382.493 3.537 20 0 GHADHM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149621 606674873 /nfs/dbraw/zinc/67/48/73/606674873.db2.gz DGZLJUSPXMHBPE-YOEHRIQHSA-N -1 3 383.402 3.601 20 0 GHADHM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149621 606674874 /nfs/dbraw/zinc/67/48/74/606674874.db2.gz DGZLJUSPXMHBPE-YOEHRIQHSA-N -1 3 383.402 3.601 20 0 GHADHM O=C(Nc1scnc1-c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823386999 606675844 /nfs/dbraw/zinc/67/58/44/606675844.db2.gz AWDKVVZZGHMXTF-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1scnc1-c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823386999 606675845 /nfs/dbraw/zinc/67/58/45/606675845.db2.gz AWDKVVZZGHMXTF-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822940947 606678521 /nfs/dbraw/zinc/67/85/21/606678521.db2.gz KTMCYADHFWYZEC-QGZVFWFLSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822940947 606678522 /nfs/dbraw/zinc/67/85/22/606678522.db2.gz KTMCYADHFWYZEC-QGZVFWFLSA-N -1 3 379.420 3.557 20 0 GHADHM CCCC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000821027611 606726113 /nfs/dbraw/zinc/72/61/13/606726113.db2.gz OKDHHGSDDOPZMZ-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CCCC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000821027611 606726114 /nfs/dbraw/zinc/72/61/14/606726114.db2.gz OKDHHGSDDOPZMZ-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820397799 606745620 /nfs/dbraw/zinc/74/56/20/606745620.db2.gz UIDZFSGLLPFZGQ-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820397799 606745622 /nfs/dbraw/zinc/74/56/22/606745622.db2.gz UIDZFSGLLPFZGQ-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM Cc1sc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1C ZINC000822563734 606780834 /nfs/dbraw/zinc/78/08/34/606780834.db2.gz MHLVXPNPNJCESB-UHFFFAOYSA-N -1 3 377.857 3.524 20 0 GHADHM Cc1sc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1C ZINC000822563734 606780836 /nfs/dbraw/zinc/78/08/36/606780836.db2.gz MHLVXPNPNJCESB-UHFFFAOYSA-N -1 3 377.857 3.524 20 0 GHADHM COc1ccc(-c2nc(COc3cc(Cl)ccc3-c3nnn[n-]3)co2)cc1 ZINC000821732892 606783486 /nfs/dbraw/zinc/78/34/86/606783486.db2.gz WOQVOAKTKNDOQP-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1ccc(-c2nc(COc3cc(Cl)ccc3-c3nn[n-]n3)co2)cc1 ZINC000821732892 606783490 /nfs/dbraw/zinc/78/34/90/606783490.db2.gz WOQVOAKTKNDOQP-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000822974572 606812778 /nfs/dbraw/zinc/81/27/78/606812778.db2.gz RWSYWWNDLOLSLV-UHFFFAOYSA-N -1 3 391.450 3.644 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000822974572 606812780 /nfs/dbraw/zinc/81/27/80/606812780.db2.gz RWSYWWNDLOLSLV-UHFFFAOYSA-N -1 3 391.450 3.644 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCc2c1cccc2Cl ZINC000822955497 606817236 /nfs/dbraw/zinc/81/72/36/606817236.db2.gz XNPHCEJVYNSAFW-UHFFFAOYSA-N -1 3 397.866 3.659 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCc2c1cccc2Cl ZINC000822955497 606817238 /nfs/dbraw/zinc/81/72/38/606817238.db2.gz XNPHCEJVYNSAFW-UHFFFAOYSA-N -1 3 397.866 3.659 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820972669 606840296 /nfs/dbraw/zinc/84/02/96/606840296.db2.gz QLOYFEASPLWPOG-KDOFPFPSSA-N -1 3 380.404 3.522 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820972669 606840297 /nfs/dbraw/zinc/84/02/97/606840297.db2.gz QLOYFEASPLWPOG-KDOFPFPSSA-N -1 3 380.404 3.522 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822214200 606868620 /nfs/dbraw/zinc/86/86/20/606868620.db2.gz UFNIEXWWDTVQSY-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822214200 606868622 /nfs/dbraw/zinc/86/86/22/606868622.db2.gz UFNIEXWWDTVQSY-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822214201 606868713 /nfs/dbraw/zinc/86/87/13/606868713.db2.gz UFNIEXWWDTVQSY-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822214201 606868716 /nfs/dbraw/zinc/86/87/16/606868716.db2.gz UFNIEXWWDTVQSY-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM CCc1nnc(N[C@@H](C)c2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c1CC ZINC000821529266 606921071 /nfs/dbraw/zinc/92/10/71/606921071.db2.gz VYYWRPATHGSHEP-JTQLQIEISA-N -1 3 389.410 3.556 20 0 GHADHM CCc1nnc(N[C@@H](C)c2cccc(OC(F)F)c2)c(-c2nn[n-]n2)c1CC ZINC000821529266 606921072 /nfs/dbraw/zinc/92/10/72/606921072.db2.gz VYYWRPATHGSHEP-JTQLQIEISA-N -1 3 389.410 3.556 20 0 GHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455258 606922135 /nfs/dbraw/zinc/92/21/35/606922135.db2.gz GDAOGOPLDOGQRF-MRVPVSSYSA-N -1 3 389.341 3.641 20 0 GHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455258 606922137 /nfs/dbraw/zinc/92/21/37/606922137.db2.gz GDAOGOPLDOGQRF-MRVPVSSYSA-N -1 3 389.341 3.641 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821700387 606924308 /nfs/dbraw/zinc/92/43/08/606924308.db2.gz MXMVNMGPWVLRQF-CYBMUJFWSA-N -1 3 392.419 3.682 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821700387 606924311 /nfs/dbraw/zinc/92/43/11/606924311.db2.gz MXMVNMGPWVLRQF-CYBMUJFWSA-N -1 3 392.419 3.682 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822214128 606946992 /nfs/dbraw/zinc/94/69/92/606946992.db2.gz QMCBOWDIPAXCPQ-HUUCEWRRSA-N -1 3 389.463 3.945 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822214128 606946993 /nfs/dbraw/zinc/94/69/93/606946993.db2.gz QMCBOWDIPAXCPQ-HUUCEWRRSA-N -1 3 389.463 3.945 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349789 606951782 /nfs/dbraw/zinc/95/17/82/606951782.db2.gz IISXIDPXGLCMIK-FOIQADDNSA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349789 606951784 /nfs/dbraw/zinc/95/17/84/606951784.db2.gz IISXIDPXGLCMIK-FOIQADDNSA-N -1 3 390.491 3.893 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820950262 606957624 /nfs/dbraw/zinc/95/76/24/606957624.db2.gz LGILJBTYXLSJAY-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820950262 606957625 /nfs/dbraw/zinc/95/76/25/606957625.db2.gz LGILJBTYXLSJAY-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H]1CCc2c(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)csc2C1 ZINC000820728064 606958236 /nfs/dbraw/zinc/95/82/36/606958236.db2.gz RYLQFCWJZOXMTM-SNVBAGLBSA-N -1 3 387.896 3.983 20 0 GHADHM C[C@@H]1CCc2c(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)csc2C1 ZINC000820728064 606958238 /nfs/dbraw/zinc/95/82/38/606958238.db2.gz RYLQFCWJZOXMTM-SNVBAGLBSA-N -1 3 387.896 3.983 20 0 GHADHM CN(C(=O)CCc1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569800 606960694 /nfs/dbraw/zinc/96/06/94/606960694.db2.gz WMFAITHIBHQZCS-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569800 606960695 /nfs/dbraw/zinc/96/06/95/606960695.db2.gz WMFAITHIBHQZCS-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCOc1ccccc1CCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821430911 606962312 /nfs/dbraw/zinc/96/23/12/606962312.db2.gz IWWNUGQBCBBREK-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCOc1ccccc1CCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821430911 606962313 /nfs/dbraw/zinc/96/23/13/606962313.db2.gz IWWNUGQBCBBREK-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822263030 606963574 /nfs/dbraw/zinc/96/35/74/606963574.db2.gz IBOGPGDMQHUIJX-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822263030 606963576 /nfs/dbraw/zinc/96/35/76/606963576.db2.gz IBOGPGDMQHUIJX-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Sc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000819844381 607011091 /nfs/dbraw/zinc/01/10/91/607011091.db2.gz FRHCYTIMBYAFQA-GOSISDBHSA-N -1 3 395.488 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Sc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000819844381 607011093 /nfs/dbraw/zinc/01/10/93/607011093.db2.gz FRHCYTIMBYAFQA-GOSISDBHSA-N -1 3 395.488 3.825 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819898695 607011441 /nfs/dbraw/zinc/01/14/41/607011441.db2.gz IFNQZJIVAXNIIR-MRXNPFEDSA-N -1 3 387.534 3.924 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819898695 607011442 /nfs/dbraw/zinc/01/14/42/607011442.db2.gz IFNQZJIVAXNIIR-MRXNPFEDSA-N -1 3 387.534 3.924 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820562343 607011847 /nfs/dbraw/zinc/01/18/47/607011847.db2.gz FLPZUPFLSNETLT-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820562343 607011848 /nfs/dbraw/zinc/01/18/48/607011848.db2.gz FLPZUPFLSNETLT-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC000822424484 607045082 /nfs/dbraw/zinc/04/50/82/607045082.db2.gz VWTVJZOAYMQBQB-CYBMUJFWSA-N -1 3 377.477 3.891 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC000822424484 607045083 /nfs/dbraw/zinc/04/50/83/607045083.db2.gz VWTVJZOAYMQBQB-CYBMUJFWSA-N -1 3 377.477 3.891 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1c(C)cccc1C ZINC000821104547 607063307 /nfs/dbraw/zinc/06/33/07/607063307.db2.gz IEHKPWVAIYDPEV-UHFFFAOYSA-N -1 3 378.480 3.605 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(C)cccc1C ZINC000821104547 607063309 /nfs/dbraw/zinc/06/33/09/607063309.db2.gz IEHKPWVAIYDPEV-UHFFFAOYSA-N -1 3 378.480 3.605 20 0 GHADHM CC(C)n1nccc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820218770 607090934 /nfs/dbraw/zinc/09/09/34/607090934.db2.gz AJXHRBGNPQFODC-UHFFFAOYSA-N -1 3 390.403 3.656 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821292607 607100307 /nfs/dbraw/zinc/10/03/07/607100307.db2.gz CXZBTOLQSHIGID-CYBMUJFWSA-N -1 3 382.443 3.645 20 0 GHADHM Clc1ccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000822573614 607124236 /nfs/dbraw/zinc/12/42/36/607124236.db2.gz CJPSLECTQFAJOG-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821491941 607134852 /nfs/dbraw/zinc/13/48/52/607134852.db2.gz DILOUWDYZQMROE-LBPRGKRZSA-N -1 3 383.427 3.537 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821491941 607134854 /nfs/dbraw/zinc/13/48/54/607134854.db2.gz DILOUWDYZQMROE-LBPRGKRZSA-N -1 3 383.427 3.537 20 0 GHADHM O=C(C=CSCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822923344 607142730 /nfs/dbraw/zinc/14/27/30/607142730.db2.gz QEMPCBMNUSVYDR-CLFYSBASSA-N -1 3 387.490 3.786 20 0 GHADHM O=C(/C=C\SCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822923344 607142731 /nfs/dbraw/zinc/14/27/31/607142731.db2.gz QEMPCBMNUSVYDR-CLFYSBASSA-N -1 3 387.490 3.786 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000821099347 607153774 /nfs/dbraw/zinc/15/37/74/607153774.db2.gz FEXBYHYZIZFFFM-MRXNPFEDSA-N -1 3 385.512 3.733 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000821099347 607153776 /nfs/dbraw/zinc/15/37/76/607153776.db2.gz FEXBYHYZIZFFFM-MRXNPFEDSA-N -1 3 385.512 3.733 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820548496 607162294 /nfs/dbraw/zinc/16/22/94/607162294.db2.gz AVQSQECIFQHBOE-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820548496 607162295 /nfs/dbraw/zinc/16/22/95/607162295.db2.gz AVQSQECIFQHBOE-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccc(C)cc1 ZINC000821565048 607169898 /nfs/dbraw/zinc/16/98/98/607169898.db2.gz BFIFNTBPCVWHCL-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccc(C)cc1 ZINC000821565048 607169899 /nfs/dbraw/zinc/16/98/99/607169899.db2.gz BFIFNTBPCVWHCL-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822487080 607173944 /nfs/dbraw/zinc/17/39/44/607173944.db2.gz ZZQHOSMHOOKUTI-OAHLLOKOSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822487080 607173945 /nfs/dbraw/zinc/17/39/45/607173945.db2.gz ZZQHOSMHOOKUTI-OAHLLOKOSA-N -1 3 391.401 3.577 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CCO2 ZINC000822786564 607174069 /nfs/dbraw/zinc/17/40/69/607174069.db2.gz MVCDGZAEIWWYAL-AWEZNQCLSA-N -1 3 379.317 3.960 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CCO2 ZINC000822786564 607174070 /nfs/dbraw/zinc/17/40/70/607174070.db2.gz MVCDGZAEIWWYAL-AWEZNQCLSA-N -1 3 379.317 3.960 20 0 GHADHM O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823043656 607190330 /nfs/dbraw/zinc/19/03/30/607190330.db2.gz FDXQHGUEBWBBDB-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823043656 607190331 /nfs/dbraw/zinc/19/03/31/607190331.db2.gz FDXQHGUEBWBBDB-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823073827 607190446 /nfs/dbraw/zinc/19/04/46/607190446.db2.gz FANFMTSUTAMCQC-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823073827 607190447 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GHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820820744 607197410 /nfs/dbraw/zinc/19/74/10/607197410.db2.gz PXZWDVNISLBLNV-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822299847 607198540 /nfs/dbraw/zinc/19/85/40/607198540.db2.gz WRQJYAPWDJUCQO-MRXNPFEDSA-N -1 3 383.843 3.593 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822299847 607198541 /nfs/dbraw/zinc/19/85/41/607198541.db2.gz WRQJYAPWDJUCQO-MRXNPFEDSA-N -1 3 383.843 3.593 20 0 GHADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822352388 607201801 /nfs/dbraw/zinc/20/18/01/607201801.db2.gz YNBLIYZOWUPNGK-AWEZNQCLSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822352388 607201802 /nfs/dbraw/zinc/20/18/02/607201802.db2.gz YNBLIYZOWUPNGK-AWEZNQCLSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Oc3ccc(F)cc3)nc2)n1 ZINC000822215354 607227615 /nfs/dbraw/zinc/22/76/15/607227615.db2.gz XGPRRPVUIYARRO-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Oc3ccc(F)cc3)nc2)n1 ZINC000822215354 607227616 /nfs/dbraw/zinc/22/76/16/607227616.db2.gz XGPRRPVUIYARRO-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000820404132 607231417 /nfs/dbraw/zinc/23/14/17/607231417.db2.gz POQUSGVSWWVLBG-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000820404132 607231418 /nfs/dbraw/zinc/23/14/18/607231418.db2.gz POQUSGVSWWVLBG-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1ccccc1-c1nnn[n-]1 ZINC000822959113 607235317 /nfs/dbraw/zinc/23/53/17/607235317.db2.gz SDPDACYFYINGQI-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1ccccc1-c1nn[n-]n1 ZINC000822959113 607235318 /nfs/dbraw/zinc/23/53/18/607235318.db2.gz SDPDACYFYINGQI-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2sccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822263223 607235883 /nfs/dbraw/zinc/23/58/83/607235883.db2.gz JOTDULSQYMEUQX-UHFFFAOYSA-N -1 3 377.857 3.688 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2sccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822263223 607235884 /nfs/dbraw/zinc/23/58/84/607235884.db2.gz JOTDULSQYMEUQX-UHFFFAOYSA-N -1 3 377.857 3.688 20 0 GHADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822224914 607240914 /nfs/dbraw/zinc/24/09/14/607240914.db2.gz FXJKYFCGZOUAQY-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822224914 607240915 /nfs/dbraw/zinc/24/09/15/607240915.db2.gz FXJKYFCGZOUAQY-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1CCC1CCCC1 ZINC000823453898 607241152 /nfs/dbraw/zinc/24/11/52/607241152.db2.gz DRJNDHMIIAJCOE-CQSZACIVSA-N -1 3 375.423 3.720 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1CCC1CCCC1 ZINC000823453898 607241153 /nfs/dbraw/zinc/24/11/53/607241153.db2.gz DRJNDHMIIAJCOE-CQSZACIVSA-N -1 3 375.423 3.720 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(Br)s1 ZINC000822177374 607241478 /nfs/dbraw/zinc/24/14/78/607241478.db2.gz YDJFPPUIDLCBCB-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(Br)s1 ZINC000822177374 607241479 /nfs/dbraw/zinc/24/14/79/607241479.db2.gz YDJFPPUIDLCBCB-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1Br ZINC000822226240 607241518 /nfs/dbraw/zinc/24/15/18/607241518.db2.gz JHOTULAFMYZSMK-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1Br ZINC000822226240 607241519 /nfs/dbraw/zinc/24/15/19/607241519.db2.gz JHOTULAFMYZSMK-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(-c2ccccc2F)on1 ZINC000823318688 607241705 /nfs/dbraw/zinc/24/17/05/607241705.db2.gz HNNSBZZPEDRFER-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(-c2ccccc2F)on1 ZINC000823318688 607241706 /nfs/dbraw/zinc/24/17/06/607241706.db2.gz HNNSBZZPEDRFER-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(-n2cccc2)c(F)c1 ZINC000823318308 607243334 /nfs/dbraw/zinc/24/33/34/607243334.db2.gz BWDNFKCPCJVLLK-UHFFFAOYSA-N -1 3 382.786 3.702 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(-n2cccc2)c(F)c1 ZINC000823318308 607243335 /nfs/dbraw/zinc/24/33/35/607243335.db2.gz BWDNFKCPCJVLLK-UHFFFAOYSA-N -1 3 382.786 3.702 20 0 GHADHM CCc1cccnc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728074 607781498 /nfs/dbraw/zinc/78/14/98/607781498.db2.gz HPKZYTPRURCBJU-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM Cc1nc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c(C)s1 ZINC000826323646 607785273 /nfs/dbraw/zinc/78/52/73/607785273.db2.gz LYMMDRMOMDAFKR-UHFFFAOYSA-N -1 3 390.472 3.787 20 0 GHADHM Cc1nc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c(C)s1 ZINC000826323646 607785274 /nfs/dbraw/zinc/78/52/74/607785274.db2.gz LYMMDRMOMDAFKR-UHFFFAOYSA-N -1 3 390.472 3.787 20 0 GHADHM CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825817801 607787178 /nfs/dbraw/zinc/78/71/78/607787178.db2.gz PNXGCWFLQCVJTH-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825817801 607787179 /nfs/dbraw/zinc/78/71/79/607787179.db2.gz PNXGCWFLQCVJTH-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377103 607798252 /nfs/dbraw/zinc/79/82/52/607798252.db2.gz SWSBGYMTTXEPIV-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377103 607798253 /nfs/dbraw/zinc/79/82/53/607798253.db2.gz SWSBGYMTTXEPIV-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM c1ccc(CSc2cncc(NCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826522335 607819824 /nfs/dbraw/zinc/81/98/24/607819824.db2.gz WJIACMFTHPKKKH-UHFFFAOYSA-N -1 3 375.461 3.561 20 0 GHADHM c1ccc(CSc2cncc(NCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826522335 607819825 /nfs/dbraw/zinc/81/98/25/607819825.db2.gz WJIACMFTHPKKKH-UHFFFAOYSA-N -1 3 375.461 3.561 20 0 GHADHM COc1ccc(CCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826191822 607830710 /nfs/dbraw/zinc/83/07/10/607830710.db2.gz RAOWXRPUSGRDHI-CQSZACIVSA-N -1 3 396.447 3.511 20 0 GHADHM COc1ccc(CCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826191822 607830711 /nfs/dbraw/zinc/83/07/11/607830711.db2.gz RAOWXRPUSGRDHI-CQSZACIVSA-N -1 3 396.447 3.511 20 0 GHADHM CCOc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825643486 607832742 /nfs/dbraw/zinc/83/27/42/607832742.db2.gz OQWIOJILBLHWJN-UHFFFAOYSA-N -1 3 378.219 3.825 20 0 GHADHM CCOc1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825643486 607832743 /nfs/dbraw/zinc/83/27/43/607832743.db2.gz OQWIOJILBLHWJN-UHFFFAOYSA-N -1 3 378.219 3.825 20 0 GHADHM Cc1cc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000826266912 607833363 /nfs/dbraw/zinc/83/33/63/607833363.db2.gz HSOUAXNVKGXOTE-UHFFFAOYSA-N -1 3 380.210 3.551 20 0 GHADHM Cc1cc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000826266912 607833364 /nfs/dbraw/zinc/83/33/64/607833364.db2.gz HSOUAXNVKGXOTE-UHFFFAOYSA-N -1 3 380.210 3.551 20 0 GHADHM CC[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1nc(C)cs1 ZINC000825132516 607834017 /nfs/dbraw/zinc/83/40/17/607834017.db2.gz AASATQIPBOHBLB-LLVKDONJSA-N -1 3 397.291 3.820 20 0 GHADHM CC[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1nc(C)cs1 ZINC000825132516 607834018 /nfs/dbraw/zinc/83/40/18/607834018.db2.gz AASATQIPBOHBLB-LLVKDONJSA-N -1 3 397.291 3.820 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826288091 607844696 /nfs/dbraw/zinc/84/46/96/607844696.db2.gz QMKQJOAQZNDIKN-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826288091 607844697 /nfs/dbraw/zinc/84/46/97/607844697.db2.gz QMKQJOAQZNDIKN-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825435 607861413 /nfs/dbraw/zinc/86/14/13/607861413.db2.gz BKYMINBPHCGOKL-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825435 607861414 /nfs/dbraw/zinc/86/14/14/607861414.db2.gz BKYMINBPHCGOKL-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000824052162 607880167 /nfs/dbraw/zinc/88/01/67/607880167.db2.gz LUSAMKLOKHAQQP-CQSZACIVSA-N -1 3 378.432 3.502 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000824052162 607880168 /nfs/dbraw/zinc/88/01/68/607880168.db2.gz LUSAMKLOKHAQQP-CQSZACIVSA-N -1 3 378.432 3.502 20 0 GHADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000826424624 607890403 /nfs/dbraw/zinc/89/04/03/607890403.db2.gz VLCPTPPQPGLZIV-UHFFFAOYSA-N -1 3 394.822 3.753 20 0 GHADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000826424624 607890404 /nfs/dbraw/zinc/89/04/04/607890404.db2.gz VLCPTPPQPGLZIV-UHFFFAOYSA-N -1 3 394.822 3.753 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000825318239 607940733 /nfs/dbraw/zinc/94/07/33/607940733.db2.gz KBDKXVKOAVYDPO-QGZVFWFLSA-N -1 3 397.483 3.544 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000825318239 607940734 /nfs/dbraw/zinc/94/07/34/607940734.db2.gz KBDKXVKOAVYDPO-QGZVFWFLSA-N -1 3 397.483 3.544 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1F ZINC000825034371 607942109 /nfs/dbraw/zinc/94/21/09/607942109.db2.gz IQOXFNVQPNAEOM-UHFFFAOYSA-N -1 3 397.410 3.638 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1F ZINC000825034371 607942110 /nfs/dbraw/zinc/94/21/10/607942110.db2.gz IQOXFNVQPNAEOM-UHFFFAOYSA-N -1 3 397.410 3.638 20 0 GHADHM O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399013 607947421 /nfs/dbraw/zinc/94/74/21/607947421.db2.gz KIAOVGICUZPCNQ-VQTJNVASSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399013 607947422 /nfs/dbraw/zinc/94/74/22/607947422.db2.gz KIAOVGICUZPCNQ-VQTJNVASSA-N -1 3 381.439 3.713 20 0 GHADHM Cc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337690 607966124 /nfs/dbraw/zinc/96/61/24/607966124.db2.gz XPUCXRTYJSCQLF-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337690 607966125 /nfs/dbraw/zinc/96/61/25/607966125.db2.gz XPUCXRTYJSCQLF-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1ccc2nc(-c3cccc(OCc4cccc(-c5nn[n-]n5)c4)c3)[nH]c2n1 ZINC000826295834 607975522 /nfs/dbraw/zinc/97/55/22/607975522.db2.gz ZNYPVPKXKUJMFS-UHFFFAOYSA-N -1 3 383.415 3.692 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000824255529 607980105 /nfs/dbraw/zinc/98/01/05/607980105.db2.gz NAJSFQVKGAQQCV-UXBLZVDNSA-N -1 3 396.882 3.613 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000824255529 607980106 /nfs/dbraw/zinc/98/01/06/607980106.db2.gz NAJSFQVKGAQQCV-UXBLZVDNSA-N -1 3 396.882 3.613 20 0 GHADHM COC1CCC(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CC1 ZINC000826144489 608000231 /nfs/dbraw/zinc/00/02/31/608000231.db2.gz LCJDMCHKSMZBRN-HIFPTAJRSA-N -1 3 389.525 3.587 20 0 GHADHM COC1CCC(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CC1 ZINC000826144489 608000232 /nfs/dbraw/zinc/00/02/32/608000232.db2.gz LCJDMCHKSMZBRN-HIFPTAJRSA-N -1 3 389.525 3.587 20 0 GHADHM COc1ccccc1[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccn1 ZINC000826218376 608017207 /nfs/dbraw/zinc/01/72/07/608017207.db2.gz ADKQJYWJFNIIMB-KRWDZBQOSA-N -1 3 393.838 3.520 20 0 GHADHM COc1ccccc1[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccn1 ZINC000826218376 608017208 /nfs/dbraw/zinc/01/72/08/608017208.db2.gz ADKQJYWJFNIIMB-KRWDZBQOSA-N -1 3 393.838 3.520 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)c2ccc[nH]2)cc1 ZINC000826255194 608026837 /nfs/dbraw/zinc/02/68/37/608026837.db2.gz OZFPXFMCIYQPAJ-CQSZACIVSA-N -1 3 388.431 3.787 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)c2ccc[nH]2)cc1 ZINC000826255194 608026838 /nfs/dbraw/zinc/02/68/38/608026838.db2.gz OZFPXFMCIYQPAJ-CQSZACIVSA-N -1 3 388.431 3.787 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392056 608051224 /nfs/dbraw/zinc/05/12/24/608051224.db2.gz LIKBWGWFCKGUOX-RNCFNFMXSA-N -1 3 394.298 3.615 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826455221 608119168 /nfs/dbraw/zinc/11/91/68/608119168.db2.gz FGASZBGEFQTTIY-INIZCTEOSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826455221 608119169 /nfs/dbraw/zinc/11/91/69/608119169.db2.gz FGASZBGEFQTTIY-INIZCTEOSA-N -1 3 390.447 3.923 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2s1 ZINC000826162021 608135771 /nfs/dbraw/zinc/13/57/71/608135771.db2.gz JUIGMVAIGDKRCZ-UHFFFAOYSA-N -1 3 381.461 3.719 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2s1 ZINC000826162021 608135772 /nfs/dbraw/zinc/13/57/72/608135772.db2.gz JUIGMVAIGDKRCZ-UHFFFAOYSA-N -1 3 381.461 3.719 20 0 GHADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000825013035 608149737 /nfs/dbraw/zinc/14/97/37/608149737.db2.gz NLAIGMAYCNBEDZ-XHDPSFHLSA-N -1 3 399.838 3.676 20 0 GHADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000825013035 608149738 /nfs/dbraw/zinc/14/97/38/608149738.db2.gz NLAIGMAYCNBEDZ-XHDPSFHLSA-N -1 3 399.838 3.676 20 0 GHADHM CCCCCC[C@H](C)CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825272269 608191645 /nfs/dbraw/zinc/19/16/45/608191645.db2.gz ZKYZASQMCFVXBE-HNNXBMFYSA-N -1 3 395.511 3.870 20 0 GHADHM CCCCCC[C@H](C)CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825272269 608191647 /nfs/dbraw/zinc/19/16/47/608191647.db2.gz ZKYZASQMCFVXBE-HNNXBMFYSA-N -1 3 395.511 3.870 20 0 GHADHM FC(F)(F)c1cc(N2CCC(Cc3cccnc3)CC2)ccc1-c1nnn[n-]1 ZINC000826368056 608194103 /nfs/dbraw/zinc/19/41/03/608194103.db2.gz AECNJHGPSYEKMW-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM FC(F)(F)c1cc(N2CCC(Cc3cccnc3)CC2)ccc1-c1nn[n-]n1 ZINC000826368056 608194104 /nfs/dbraw/zinc/19/41/04/608194104.db2.gz AECNJHGPSYEKMW-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM Cc1ccncc1[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826314751 608201460 /nfs/dbraw/zinc/20/14/60/608201460.db2.gz LJGRXJPOSABTEO-OAHLLOKOSA-N -1 3 399.458 3.805 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2cccc(F)c2Cl)n1 ZINC000825560281 608218151 /nfs/dbraw/zinc/21/81/51/608218151.db2.gz OYAODAMLUYLPOG-UHFFFAOYSA-N -1 3 393.831 3.523 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2cccc(F)c2Cl)n1 ZINC000825560281 608218152 /nfs/dbraw/zinc/21/81/52/608218152.db2.gz OYAODAMLUYLPOG-UHFFFAOYSA-N -1 3 393.831 3.523 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(-n2cccn2)cc1 ZINC000824657593 608229372 /nfs/dbraw/zinc/22/93/72/608229372.db2.gz ROILRWZODFVRBU-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(-n2cccn2)cc1 ZINC000824657593 608229373 /nfs/dbraw/zinc/22/93/73/608229373.db2.gz ROILRWZODFVRBU-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000826189738 608239240 /nfs/dbraw/zinc/23/92/40/608239240.db2.gz DEAUXTVGJFLLQR-BFUOFWGJSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000826189738 608239241 /nfs/dbraw/zinc/23/92/41/608239241.db2.gz DEAUXTVGJFLLQR-BFUOFWGJSA-N -1 3 390.447 3.612 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825750695 608240766 /nfs/dbraw/zinc/24/07/66/608240766.db2.gz VRLBFRVJRWSOHA-UHFFFAOYSA-N -1 3 391.454 3.759 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000826274141 608270349 /nfs/dbraw/zinc/27/03/49/608270349.db2.gz IBBGHHYNTRRJJG-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000826274141 608270351 /nfs/dbraw/zinc/27/03/51/608270351.db2.gz IBBGHHYNTRRJJG-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM COc1cc(OC)c([C@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000826181063 608283205 /nfs/dbraw/zinc/28/32/05/608283205.db2.gz JMPNVVBYDIZMCL-JTQLQIEISA-N -1 3 391.834 3.527 20 0 GHADHM COCCOc1c(Cl)cc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826161247 608291413 /nfs/dbraw/zinc/29/14/13/608291413.db2.gz YWZGJXTZRMPMFF-UHFFFAOYSA-N -1 3 394.262 3.811 20 0 GHADHM COCCOc1c(Cl)cc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826161247 608291415 /nfs/dbraw/zinc/29/14/15/608291415.db2.gz YWZGJXTZRMPMFF-UHFFFAOYSA-N -1 3 394.262 3.811 20 0 GHADHM COC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000826152207 608297911 /nfs/dbraw/zinc/29/79/11/608297911.db2.gz SYHXUNNPKWGUKM-OAHLLOKOSA-N -1 3 399.323 3.963 20 0 GHADHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000826152207 608297912 /nfs/dbraw/zinc/29/79/12/608297912.db2.gz SYHXUNNPKWGUKM-OAHLLOKOSA-N -1 3 399.323 3.963 20 0 GHADHM O=C(CCc1ccccc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409304 608304262 /nfs/dbraw/zinc/30/42/62/608304262.db2.gz QXWCVOPAVHOLRA-UHFFFAOYSA-N -1 3 383.455 3.783 20 0 GHADHM O=C(CCc1ccccc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409304 608304263 /nfs/dbraw/zinc/30/42/63/608304263.db2.gz QXWCVOPAVHOLRA-UHFFFAOYSA-N -1 3 383.455 3.783 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516977 608310488 /nfs/dbraw/zinc/31/04/88/608310488.db2.gz ZIEGCICILANFPU-NEPJUHHUSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516977 608310490 /nfs/dbraw/zinc/31/04/90/608310490.db2.gz ZIEGCICILANFPU-NEPJUHHUSA-N -1 3 389.381 3.808 20 0 GHADHM CCN(C(=O)Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376263 608345688 /nfs/dbraw/zinc/34/56/88/608345688.db2.gz DZYQVHAWFREEAR-UHFFFAOYSA-N -1 3 381.823 3.862 20 0 GHADHM CCN(C(=O)Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376263 608345690 /nfs/dbraw/zinc/34/56/90/608345690.db2.gz DZYQVHAWFREEAR-UHFFFAOYSA-N -1 3 381.823 3.862 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825120480 608351348 /nfs/dbraw/zinc/35/13/48/608351348.db2.gz KNWQMDTXJZVYSK-AWEZNQCLSA-N -1 3 381.505 3.747 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825120480 608351350 /nfs/dbraw/zinc/35/13/50/608351350.db2.gz KNWQMDTXJZVYSK-AWEZNQCLSA-N -1 3 381.505 3.747 20 0 GHADHM CCN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000825377029 608356473 /nfs/dbraw/zinc/35/64/73/608356473.db2.gz RNXNOKBMGMFFJK-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CCN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000825377029 608356475 /nfs/dbraw/zinc/35/64/75/608356475.db2.gz RNXNOKBMGMFFJK-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CCCN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000825300860 608358321 /nfs/dbraw/zinc/35/83/21/608358321.db2.gz FFHMKJCCBHUOCV-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CCCN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000825300860 608358323 /nfs/dbraw/zinc/35/83/23/608358323.db2.gz FFHMKJCCBHUOCV-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM Nc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(Cl)c1 ZINC000826395976 608402186 /nfs/dbraw/zinc/40/21/86/608402186.db2.gz AUALGRHNHAQWBH-UHFFFAOYSA-N -1 3 383.811 3.996 20 0 GHADHM Nc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(Cl)c1 ZINC000826395976 608402188 /nfs/dbraw/zinc/40/21/88/608402188.db2.gz AUALGRHNHAQWBH-UHFFFAOYSA-N -1 3 383.811 3.996 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000826440625 608428425 /nfs/dbraw/zinc/42/84/25/608428425.db2.gz UHIDHCVYCQTOIR-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000826440625 608428427 /nfs/dbraw/zinc/42/84/27/608428427.db2.gz UHIDHCVYCQTOIR-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1F ZINC000824391680 608453086 /nfs/dbraw/zinc/45/30/86/608453086.db2.gz JJWSAOHCFSSPJT-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1F ZINC000824391680 608453088 /nfs/dbraw/zinc/45/30/88/608453088.db2.gz JJWSAOHCFSSPJT-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](c1nc(-c2ccccc2)no1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824777899 608463204 /nfs/dbraw/zinc/46/32/04/608463204.db2.gz LAXNEVUZSGJZOU-OAHLLOKOSA-N -1 3 399.458 3.767 20 0 GHADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826373495 608471299 /nfs/dbraw/zinc/47/12/99/608471299.db2.gz OHTXHOKKXZSVNE-OAHLLOKOSA-N -1 3 383.324 3.928 20 0 GHADHM C[C@@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506379 608475104 /nfs/dbraw/zinc/47/51/04/608475104.db2.gz NXGUXNZLSIACHE-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506379 608475105 /nfs/dbraw/zinc/47/51/05/608475105.db2.gz NXGUXNZLSIACHE-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825125967 608477694 /nfs/dbraw/zinc/47/76/94/608477694.db2.gz GEQYEZCSOUHFDG-CQSZACIVSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825125967 608477695 /nfs/dbraw/zinc/47/76/95/608477695.db2.gz GEQYEZCSOUHFDG-CQSZACIVSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000824384976 608480014 /nfs/dbraw/zinc/48/00/14/608480014.db2.gz JAFXNEMZMMJBQI-HNNXBMFYSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(F)c1 ZINC000824384976 608480015 /nfs/dbraw/zinc/48/00/15/608480015.db2.gz JAFXNEMZMMJBQI-HNNXBMFYSA-N -1 3 391.450 3.815 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824266012 608480395 /nfs/dbraw/zinc/48/03/95/608480395.db2.gz BFJFJLBDOQRDOA-UHFFFAOYSA-N -1 3 384.415 3.822 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824266012 608480397 /nfs/dbraw/zinc/48/03/97/608480397.db2.gz BFJFJLBDOQRDOA-UHFFFAOYSA-N -1 3 384.415 3.822 20 0 GHADHM O=C(CCc1c[nH]c2ccccc12)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826408130 608480919 /nfs/dbraw/zinc/48/09/19/608480919.db2.gz QVDASEFNWKILLO-UHFFFAOYSA-N -1 3 398.470 3.597 20 0 GHADHM O=C(CCc1c[nH]c2ccccc12)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826408130 608480921 /nfs/dbraw/zinc/48/09/21/608480921.db2.gz QVDASEFNWKILLO-UHFFFAOYSA-N -1 3 398.470 3.597 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823942294 608481186 /nfs/dbraw/zinc/48/11/86/608481186.db2.gz AQTMVQVODWUICZ-PFONDFGASA-N -1 3 389.434 3.725 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823942294 608481187 /nfs/dbraw/zinc/48/11/87/608481187.db2.gz AQTMVQVODWUICZ-PFONDFGASA-N -1 3 389.434 3.725 20 0 GHADHM O=C(c1ccc(C(F)F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826472840 608482657 /nfs/dbraw/zinc/48/26/57/608482657.db2.gz YJRRWUNDKIURIZ-UHFFFAOYSA-N -1 3 381.386 3.734 20 0 GHADHM O=C(c1ccc(C(F)F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472840 608482658 /nfs/dbraw/zinc/48/26/58/608482658.db2.gz YJRRWUNDKIURIZ-UHFFFAOYSA-N -1 3 381.386 3.734 20 0 GHADHM CC(C)c1ccsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824353243 608482727 /nfs/dbraw/zinc/48/27/27/608482727.db2.gz ZMPOJBNJZYWCGH-UHFFFAOYSA-N -1 3 379.489 3.981 20 0 GHADHM CC(C)c1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824353243 608482728 /nfs/dbraw/zinc/48/27/28/608482728.db2.gz ZMPOJBNJZYWCGH-UHFFFAOYSA-N -1 3 379.489 3.981 20 0 GHADHM O=C(c1c(F)cccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826468901 608487337 /nfs/dbraw/zinc/48/73/37/608487337.db2.gz MAJCAFLOFVHKTF-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1c(F)cccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826468901 608487338 /nfs/dbraw/zinc/48/73/38/608487338.db2.gz MAJCAFLOFVHKTF-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)cs2)cc1 ZINC000826288647 608535141 /nfs/dbraw/zinc/53/51/41/608535141.db2.gz QIBYCIVERAZUDH-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)cs2)cc1 ZINC000826288647 608535142 /nfs/dbraw/zinc/53/51/42/608535142.db2.gz QIBYCIVERAZUDH-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825126012 608546956 /nfs/dbraw/zinc/54/69/56/608546956.db2.gz GTVRXKYPPOYOOZ-AWEZNQCLSA-N -1 3 399.545 3.889 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825126012 608546957 /nfs/dbraw/zinc/54/69/57/608546957.db2.gz GTVRXKYPPOYOOZ-AWEZNQCLSA-N -1 3 399.545 3.889 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC000824148052 608574639 /nfs/dbraw/zinc/57/46/39/608574639.db2.gz LRVMGTITBZKJMK-UHFFFAOYSA-N -1 3 380.786 3.607 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC000824148052 608574641 /nfs/dbraw/zinc/57/46/41/608574641.db2.gz LRVMGTITBZKJMK-UHFFFAOYSA-N -1 3 380.786 3.607 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826454460 608601561 /nfs/dbraw/zinc/60/15/61/608601561.db2.gz XQPKWFBTYIPBAP-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826454460 608601564 /nfs/dbraw/zinc/60/15/64/608601564.db2.gz XQPKWFBTYIPBAP-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826400533 608640724 /nfs/dbraw/zinc/64/07/24/608640724.db2.gz AWRHFWGHPMILHG-MDZDMXLPSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826400533 608640726 /nfs/dbraw/zinc/64/07/26/608640726.db2.gz AWRHFWGHPMILHG-MDZDMXLPSA-N -1 3 391.862 3.849 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000826373121 608714394 /nfs/dbraw/zinc/71/43/94/608714394.db2.gz ZTPLZWQANIHIIN-INIZCTEOSA-N -1 3 395.467 3.795 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000826373121 608714396 /nfs/dbraw/zinc/71/43/96/608714396.db2.gz ZTPLZWQANIHIIN-INIZCTEOSA-N -1 3 395.467 3.795 20 0 GHADHM COc1ccc2cc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c(C)nc2c1 ZINC000826212938 608820132 /nfs/dbraw/zinc/82/01/32/608820132.db2.gz GGMPJMWXMPOTDT-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2cc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c(C)nc2c1 ZINC000826212938 608820134 /nfs/dbraw/zinc/82/01/34/608820134.db2.gz GGMPJMWXMPOTDT-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 ZINC000825693914 608831215 /nfs/dbraw/zinc/83/12/15/608831215.db2.gz HQMKTSQVAJMYNI-UHFFFAOYSA-N -1 3 399.476 3.698 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 ZINC000825693914 608831216 /nfs/dbraw/zinc/83/12/16/608831216.db2.gz HQMKTSQVAJMYNI-UHFFFAOYSA-N -1 3 399.476 3.698 20 0 GHADHM C[C@@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824626103 609138600 /nfs/dbraw/zinc/13/86/00/609138600.db2.gz LXBQWZICJFNKQO-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824626103 609138601 /nfs/dbraw/zinc/13/86/01/609138601.db2.gz LXBQWZICJFNKQO-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539430 609155401 /nfs/dbraw/zinc/15/54/01/609155401.db2.gz NWIGRNUOCBKXBQ-ZUOKHONESA-N -1 3 392.413 3.980 20 0 GHADHM C[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539430 609155402 /nfs/dbraw/zinc/15/54/02/609155402.db2.gz NWIGRNUOCBKXBQ-ZUOKHONESA-N -1 3 392.413 3.980 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826225991 609165917 /nfs/dbraw/zinc/16/59/17/609165917.db2.gz PLAPARVFPSFGEP-GFCCVEGCSA-N -1 3 384.509 3.744 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826225991 609165919 /nfs/dbraw/zinc/16/59/19/609165919.db2.gz PLAPARVFPSFGEP-GFCCVEGCSA-N -1 3 384.509 3.744 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC2CCSCC2)c1-c1nnn[n-]1 ZINC000826233363 609167439 /nfs/dbraw/zinc/16/74/39/609167439.db2.gz DTJQQGNENGGRLP-UHFFFAOYSA-N -1 3 396.520 3.746 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC2CCSCC2)c1-c1nn[n-]n1 ZINC000826233363 609167441 /nfs/dbraw/zinc/16/74/41/609167441.db2.gz DTJQQGNENGGRLP-UHFFFAOYSA-N -1 3 396.520 3.746 20 0 GHADHM C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662484 609175634 /nfs/dbraw/zinc/17/56/34/609175634.db2.gz LLIUAAZMNCMDMU-CYBMUJFWSA-N -1 3 380.427 3.696 20 0 GHADHM C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662484 609175636 /nfs/dbraw/zinc/17/56/36/609175636.db2.gz LLIUAAZMNCMDMU-CYBMUJFWSA-N -1 3 380.427 3.696 20 0 GHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)nn1-c1cccc(Cl)c1 ZINC000826271197 609180941 /nfs/dbraw/zinc/18/09/41/609180941.db2.gz HNMRCJNPRNTETR-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)nn1-c1cccc(Cl)c1 ZINC000826271197 609180943 /nfs/dbraw/zinc/18/09/43/609180943.db2.gz HNMRCJNPRNTETR-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM COCCOc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826162708 609182562 /nfs/dbraw/zinc/18/25/62/609182562.db2.gz OSMZFCMXCKKYPG-GOSISDBHSA-N -1 3 383.427 3.521 20 0 GHADHM COCCOc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826162708 609182564 /nfs/dbraw/zinc/18/25/64/609182564.db2.gz OSMZFCMXCKKYPG-GOSISDBHSA-N -1 3 383.427 3.521 20 0 GHADHM Clc1cnc(CSCCOc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826354233 609183925 /nfs/dbraw/zinc/18/39/25/609183925.db2.gz UODZXPSSBHNUNN-UHFFFAOYSA-N -1 3 382.276 3.881 20 0 GHADHM O=C(N[C@@H](CCCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826426843 609191111 /nfs/dbraw/zinc/19/11/11/609191111.db2.gz XPJBZHHQULTPKR-IBGZPJMESA-N -1 3 386.459 3.689 20 0 GHADHM O=C(N[C@@H](CCCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826426843 609191112 /nfs/dbraw/zinc/19/11/12/609191112.db2.gz XPJBZHHQULTPKR-IBGZPJMESA-N -1 3 386.459 3.689 20 0 GHADHM O=C(Nc1ccc(SC2CCCC2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455383 609197020 /nfs/dbraw/zinc/19/70/20/609197020.db2.gz LREONUZQSCBAIJ-GOSISDBHSA-N -1 3 395.488 3.574 20 0 GHADHM O=C(Nc1ccc(SC2CCCC2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455383 609197021 /nfs/dbraw/zinc/19/70/21/609197021.db2.gz LREONUZQSCBAIJ-GOSISDBHSA-N -1 3 395.488 3.574 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824771177 609218771 /nfs/dbraw/zinc/21/87/71/609218771.db2.gz QFGAUAAGLLMIPC-JTQLQIEISA-N -1 3 390.369 3.579 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824771177 609218772 /nfs/dbraw/zinc/21/87/72/609218772.db2.gz QFGAUAAGLLMIPC-JTQLQIEISA-N -1 3 390.369 3.579 20 0 GHADHM CCN(C(=O)Cc1ccccc1SC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377211 609237119 /nfs/dbraw/zinc/23/71/19/609237119.db2.gz XCASDWFMFPNGBL-UHFFFAOYSA-N -1 3 387.896 3.838 20 0 GHADHM CCN(C(=O)Cc1ccccc1SC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377211 609237121 /nfs/dbraw/zinc/23/71/21/609237121.db2.gz XCASDWFMFPNGBL-UHFFFAOYSA-N -1 3 387.896 3.838 20 0 GHADHM c1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC[C@@H]2CCCO2)c1 ZINC000826517264 609238057 /nfs/dbraw/zinc/23/80/57/609238057.db2.gz WPISWSFIPNPCQV-PZJWPPBQSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC[C@@H]2CCCO2)c1 ZINC000826517264 609238058 /nfs/dbraw/zinc/23/80/58/609238058.db2.gz WPISWSFIPNPCQV-PZJWPPBQSA-N -1 3 391.475 3.914 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2-c2nnn[n-]2)CC1 ZINC000826507235 609241215 /nfs/dbraw/zinc/24/12/15/609241215.db2.gz KZUGJQFYLBKPKY-GVDBMIGSSA-N -1 3 396.539 3.599 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2-c2nn[n-]n2)CC1 ZINC000826507235 609241217 /nfs/dbraw/zinc/24/12/17/609241217.db2.gz KZUGJQFYLBKPKY-GVDBMIGSSA-N -1 3 396.539 3.599 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1-c1ccccc1Cl ZINC000826249706 609244107 /nfs/dbraw/zinc/24/41/07/609244107.db2.gz PPQLWDOULPITCV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1-c1ccccc1Cl ZINC000826249706 609244108 /nfs/dbraw/zinc/24/41/08/609244108.db2.gz PPQLWDOULPITCV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1nnc(Cc2ccc3ccccc3c2)o1 ZINC000826524192 609267158 /nfs/dbraw/zinc/26/71/58/609267158.db2.gz LWMWXKTZZXGXBK-UHFFFAOYSA-N -1 3 389.444 3.667 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663252 609276356 /nfs/dbraw/zinc/27/63/56/609276356.db2.gz XEBJYYADVQSDSY-OAHLLOKOSA-N -1 3 376.464 3.666 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663252 609276357 /nfs/dbraw/zinc/27/63/57/609276357.db2.gz XEBJYYADVQSDSY-OAHLLOKOSA-N -1 3 376.464 3.666 20 0 GHADHM COCCOc1ccc(F)cc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826162452 609277158 /nfs/dbraw/zinc/27/71/58/609277158.db2.gz CNZUVEYNVIYQEN-QGZVFWFLSA-N -1 3 383.427 3.521 20 0 GHADHM COCCOc1ccc(F)cc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826162452 609277159 /nfs/dbraw/zinc/27/71/59/609277159.db2.gz CNZUVEYNVIYQEN-QGZVFWFLSA-N -1 3 383.427 3.521 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656747 609279500 /nfs/dbraw/zinc/27/95/00/609279500.db2.gz MEYBEABWFSSNHR-JTQLQIEISA-N -1 3 396.348 3.714 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656747 609279502 /nfs/dbraw/zinc/27/95/02/609279502.db2.gz MEYBEABWFSSNHR-JTQLQIEISA-N -1 3 396.348 3.714 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(Br)c1 ZINC000826209405 609281881 /nfs/dbraw/zinc/28/18/81/609281881.db2.gz AJWQQIUBWTYJEW-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(Br)c1 ZINC000826209405 609281882 /nfs/dbraw/zinc/28/18/82/609281882.db2.gz AJWQQIUBWTYJEW-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825971552 609286792 /nfs/dbraw/zinc/28/67/92/609286792.db2.gz LHLHZBNHWHXWMW-UHFFFAOYSA-N -1 3 377.835 3.946 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825971552 609286793 /nfs/dbraw/zinc/28/67/93/609286793.db2.gz LHLHZBNHWHXWMW-UHFFFAOYSA-N -1 3 377.835 3.946 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000826473093 609298950 /nfs/dbraw/zinc/29/89/50/609298950.db2.gz KFJSXLNNFWVRAE-QGZVFWFLSA-N -1 3 382.855 3.673 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000826473093 609298951 /nfs/dbraw/zinc/29/89/51/609298951.db2.gz KFJSXLNNFWVRAE-QGZVFWFLSA-N -1 3 382.855 3.673 20 0 GHADHM Cc1nnc(SCc2csc(-c3ccccc3F)n2)c(-c2nnn[n-]2)c1C ZINC000826337067 609308486 /nfs/dbraw/zinc/30/84/86/609308486.db2.gz AOEDMXSJSBYSOB-UHFFFAOYSA-N -1 3 399.480 3.828 20 0 GHADHM Cc1nnc(SCc2csc(-c3ccccc3F)n2)c(-c2nn[n-]n2)c1C ZINC000826337067 609308489 /nfs/dbraw/zinc/30/84/89/609308489.db2.gz AOEDMXSJSBYSOB-UHFFFAOYSA-N -1 3 399.480 3.828 20 0 GHADHM COCC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155149 609322936 /nfs/dbraw/zinc/32/29/36/609322936.db2.gz IKUBKGMBUCJNEF-AWEZNQCLSA-N -1 3 381.358 3.977 20 0 GHADHM COCC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155149 609322938 /nfs/dbraw/zinc/32/29/38/609322938.db2.gz IKUBKGMBUCJNEF-AWEZNQCLSA-N -1 3 381.358 3.977 20 0 GHADHM Cc1noc(C)c1CSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826338797 609326365 /nfs/dbraw/zinc/32/63/65/609326365.db2.gz IOGJYAAATUKVHH-UHFFFAOYSA-N -1 3 380.271 3.667 20 0 GHADHM Cc1noc(C)c1CSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826338797 609326366 /nfs/dbraw/zinc/32/63/66/609326366.db2.gz IOGJYAAATUKVHH-UHFFFAOYSA-N -1 3 380.271 3.667 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(Cn2cc(C)c(-c3nnn[n-]3)c2)on1 ZINC000826213626 609327942 /nfs/dbraw/zinc/32/79/42/609327942.db2.gz FADUKXOJRRZKSM-UHFFFAOYSA-N -1 3 386.415 3.842 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(Cn2cc(C)c(-c3nn[n-]n3)c2)on1 ZINC000826213626 609327944 /nfs/dbraw/zinc/32/79/44/609327944.db2.gz FADUKXOJRRZKSM-UHFFFAOYSA-N -1 3 386.415 3.842 20 0 GHADHM O=C1CCCc2c(OCc3ccc(-c4nnn[n-]4)cc3Br)cccc21 ZINC000826480831 609328050 /nfs/dbraw/zinc/32/80/50/609328050.db2.gz SVLDYKRRUUQGRW-UHFFFAOYSA-N -1 3 399.248 3.727 20 0 GHADHM O=C1CCCc2c(OCc3ccc(-c4nn[n-]n4)cc3Br)cccc21 ZINC000826480831 609328052 /nfs/dbraw/zinc/32/80/52/609328052.db2.gz SVLDYKRRUUQGRW-UHFFFAOYSA-N -1 3 399.248 3.727 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000826474149 609328298 /nfs/dbraw/zinc/32/82/98/609328298.db2.gz CNWGQLZYWDXSDJ-HZPDHXFCSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000826474149 609328300 /nfs/dbraw/zinc/32/83/00/609328300.db2.gz CNWGQLZYWDXSDJ-HZPDHXFCSA-N -1 3 389.459 3.921 20 0 GHADHM Cc1csc(CSCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000826320994 609329768 /nfs/dbraw/zinc/32/97/68/609329768.db2.gz NBHSWFJCFVLZRX-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM Cc1csc(CSCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826320994 609329769 /nfs/dbraw/zinc/32/97/69/609329769.db2.gz NBHSWFJCFVLZRX-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM C[C@H](CSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000824450271 609330135 /nfs/dbraw/zinc/33/01/35/609330135.db2.gz TYPLLFFSAAJXKP-GFCCVEGCSA-N -1 3 387.896 3.996 20 0 GHADHM C[C@H](CSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000824450271 609330137 /nfs/dbraw/zinc/33/01/37/609330137.db2.gz TYPLLFFSAAJXKP-GFCCVEGCSA-N -1 3 387.896 3.996 20 0 GHADHM C[C@H](NCc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626112 609331856 /nfs/dbraw/zinc/33/18/56/609331856.db2.gz LYGLQIBDRZIPEL-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM C[C@H](NCc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626112 609331858 /nfs/dbraw/zinc/33/18/58/609331858.db2.gz LYGLQIBDRZIPEL-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000826273720 609339136 /nfs/dbraw/zinc/33/91/36/609339136.db2.gz QUNFSWPHTUJUNC-ZDUSSCGKSA-N -1 3 378.411 3.820 20 0 GHADHM Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000826273720 609339138 /nfs/dbraw/zinc/33/91/38/609339138.db2.gz QUNFSWPHTUJUNC-ZDUSSCGKSA-N -1 3 378.411 3.820 20 0 GHADHM Cc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(OCC2CC2)c1 ZINC000826288468 609340572 /nfs/dbraw/zinc/34/05/72/609340572.db2.gz IFPIKQSMUIZQMR-CQSZACIVSA-N -1 3 381.455 3.954 20 0 GHADHM C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539886 609344701 /nfs/dbraw/zinc/34/47/01/609344701.db2.gz QOICAODDXUQNDQ-RNODOKPDSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539886 609344703 /nfs/dbraw/zinc/34/47/03/609344703.db2.gz QOICAODDXUQNDQ-RNODOKPDSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663383 609347974 /nfs/dbraw/zinc/34/79/74/609347974.db2.gz YQRGMRLPWSAMPM-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663383 609347976 /nfs/dbraw/zinc/34/79/76/609347976.db2.gz YQRGMRLPWSAMPM-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c(O)c1 ZINC000826291795 609364128 /nfs/dbraw/zinc/36/41/28/609364128.db2.gz WJUVJXQFPLEYJY-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c(O)c1 ZINC000826291795 609364129 /nfs/dbraw/zinc/36/41/29/609364129.db2.gz WJUVJXQFPLEYJY-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM C[C@H](c1ccco1)N(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000824770392 609366341 /nfs/dbraw/zinc/36/63/41/609366341.db2.gz JYMRWPILQMFCFV-LLVKDONJSA-N -1 3 388.269 3.948 20 0 GHADHM C[C@H](c1ccco1)N(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824770392 609366344 /nfs/dbraw/zinc/36/63/44/609366344.db2.gz JYMRWPILQMFCFV-LLVKDONJSA-N -1 3 388.269 3.948 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)CCO1 ZINC000825183773 609370133 /nfs/dbraw/zinc/37/01/33/609370133.db2.gz PSPGDAAHRXSANS-FRRDWIJNSA-N -1 3 389.525 3.587 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)CCO1 ZINC000825183773 609370135 /nfs/dbraw/zinc/37/01/35/609370135.db2.gz PSPGDAAHRXSANS-FRRDWIJNSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824946124 609378781 /nfs/dbraw/zinc/37/87/81/609378781.db2.gz HRKMZWBGGCKZCQ-DYVFJYSZSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824946124 609378782 /nfs/dbraw/zinc/37/87/82/609378782.db2.gz HRKMZWBGGCKZCQ-DYVFJYSZSA-N -1 3 396.426 3.871 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826377347 609388484 /nfs/dbraw/zinc/38/84/84/609388484.db2.gz NWGMDWQUHQPSBY-HNNXBMFYSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826377347 609388485 /nfs/dbraw/zinc/38/84/85/609388485.db2.gz NWGMDWQUHQPSBY-HNNXBMFYSA-N -1 3 393.344 3.603 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824884072 609390141 /nfs/dbraw/zinc/39/01/41/609390141.db2.gz KRWFDUNDAHNBBO-HUUCEWRRSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824884072 609390144 /nfs/dbraw/zinc/39/01/44/609390144.db2.gz KRWFDUNDAHNBBO-HUUCEWRRSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)C1 ZINC000824914935 609405802 /nfs/dbraw/zinc/40/58/02/609405802.db2.gz AHEKKBSBHNZLLW-APPDUMDISA-N -1 3 394.401 3.930 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)C1 ZINC000824914935 609405804 /nfs/dbraw/zinc/40/58/04/609405804.db2.gz AHEKKBSBHNZLLW-APPDUMDISA-N -1 3 394.401 3.930 20 0 GHADHM COc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1C(C)C ZINC000826180546 609448436 /nfs/dbraw/zinc/44/84/36/609448436.db2.gz MCTMHJUSQOWXSO-UHFFFAOYSA-N -1 3 382.424 3.651 20 0 GHADHM COc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C(C)C ZINC000826180546 609448438 /nfs/dbraw/zinc/44/84/38/609448438.db2.gz MCTMHJUSQOWXSO-UHFFFAOYSA-N -1 3 382.424 3.651 20 0 GHADHM CC(C)(C)OC(=O)NCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824113720 609450019 /nfs/dbraw/zinc/45/00/19/609450019.db2.gz AZQLIYDFCWOPRT-UHFFFAOYSA-N -1 3 389.403 3.502 20 0 GHADHM CC(C)(C)OC(=O)NCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824113720 609450022 /nfs/dbraw/zinc/45/00/22/609450022.db2.gz AZQLIYDFCWOPRT-UHFFFAOYSA-N -1 3 389.403 3.502 20 0 GHADHM CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000825762770 609450587 /nfs/dbraw/zinc/45/05/87/609450587.db2.gz IBQGMKDDDGBHAH-UONOGXRCSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000825762770 609450588 /nfs/dbraw/zinc/45/05/88/609450588.db2.gz IBQGMKDDDGBHAH-UONOGXRCSA-N -1 3 389.463 3.891 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824499630 609452503 /nfs/dbraw/zinc/45/25/03/609452503.db2.gz QEGISWWOJMWCFK-ZWNOBZJWSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824499630 609452504 /nfs/dbraw/zinc/45/25/04/609452504.db2.gz QEGISWWOJMWCFK-ZWNOBZJWSA-N -1 3 384.406 3.594 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000826278792 609479273 /nfs/dbraw/zinc/47/92/73/609479273.db2.gz TUKSFMINNAGARJ-UHFFFAOYSA-N -1 3 392.444 3.639 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000826278792 609479275 /nfs/dbraw/zinc/47/92/75/609479275.db2.gz TUKSFMINNAGARJ-UHFFFAOYSA-N -1 3 392.444 3.639 20 0 GHADHM Clc1cc(NC2CCOCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350552 609484668 /nfs/dbraw/zinc/48/46/68/609484668.db2.gz BFEOUSXYPULFTR-UHFFFAOYSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1cc(NC2CCOCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350552 609484670 /nfs/dbraw/zinc/48/46/70/609484670.db2.gz BFEOUSXYPULFTR-UHFFFAOYSA-N -1 3 385.855 3.690 20 0 GHADHM COC(=O)[C@H](Sc1ccccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000826117417 609487306 /nfs/dbraw/zinc/48/73/06/609487306.db2.gz LJTDEQZLIMPNJI-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@H](Sc1ccccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000826117417 609487310 /nfs/dbraw/zinc/48/73/10/609487310.db2.gz LJTDEQZLIMPNJI-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000825553818 609488248 /nfs/dbraw/zinc/48/82/48/609488248.db2.gz XSZIORRASBJSTE-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2c(F)cccc2Cl)cc1-c1nn[n-]n1 ZINC000825553818 609488250 /nfs/dbraw/zinc/48/82/50/609488250.db2.gz XSZIORRASBJSTE-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000503060777 609503740 /nfs/dbraw/zinc/50/37/40/609503740.db2.gz OZBKHJYWPYYWPV-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000503060777 609503743 /nfs/dbraw/zinc/50/37/43/609503743.db2.gz OZBKHJYWPYYWPV-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826511976 609511545 /nfs/dbraw/zinc/51/15/45/609511545.db2.gz KTSKHOZYTJPENO-CJTWTEFWSA-N -1 3 376.489 3.741 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826511976 609511547 /nfs/dbraw/zinc/51/15/47/609511547.db2.gz KTSKHOZYTJPENO-CJTWTEFWSA-N -1 3 376.489 3.741 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825182652 609525139 /nfs/dbraw/zinc/52/51/39/609525139.db2.gz LKVGAWMDKVPCFI-ZWKOTPCHSA-N -1 3 391.475 3.605 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825182652 609525142 /nfs/dbraw/zinc/52/51/42/609525142.db2.gz LKVGAWMDKVPCFI-ZWKOTPCHSA-N -1 3 391.475 3.605 20 0 GHADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000825052124 609527458 /nfs/dbraw/zinc/52/74/58/609527458.db2.gz UVDQTWNNOQXBDE-JSGCOSHPSA-N -1 3 380.452 3.983 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825181038 609531989 /nfs/dbraw/zinc/53/19/89/609531989.db2.gz BSVKZYQVUHBZBI-HOCLYGCPSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825181038 609531992 /nfs/dbraw/zinc/53/19/92/609531992.db2.gz BSVKZYQVUHBZBI-HOCLYGCPSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1nc2c(s1)[C@H](N(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1)CCC2 ZINC000826328493 609552643 /nfs/dbraw/zinc/55/26/43/609552643.db2.gz SOLLQFJQUMYIHQ-GFCCVEGCSA-N -1 3 375.889 3.502 20 0 GHADHM Cc1nc2c(s1)[C@H](N(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1)CCC2 ZINC000826328493 609552646 /nfs/dbraw/zinc/55/26/46/609552646.db2.gz SOLLQFJQUMYIHQ-GFCCVEGCSA-N -1 3 375.889 3.502 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000825182915 609555976 /nfs/dbraw/zinc/55/59/76/609555976.db2.gz MLUKRBLKUUPAEC-WBVHZDCISA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000825182915 609555978 /nfs/dbraw/zinc/55/59/78/609555978.db2.gz MLUKRBLKUUPAEC-WBVHZDCISA-N -1 3 393.447 3.803 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@@H](CSc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237970 609563793 /nfs/dbraw/zinc/56/37/93/609563793.db2.gz RUNNAYBFXADXRD-CYBMUJFWSA-N -1 3 386.912 3.842 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@@H](CSc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237970 609563795 /nfs/dbraw/zinc/56/37/95/609563795.db2.gz RUNNAYBFXADXRD-CYBMUJFWSA-N -1 3 386.912 3.842 20 0 GHADHM Cc1ccc(-c2nc(CNc3ncc(Cl)c(C)c3-c3nnn[n-]3)co2)cc1 ZINC000826273747 609566473 /nfs/dbraw/zinc/56/64/73/609566473.db2.gz RWYSYFBDUWBLAJ-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Cc1ccc(-c2nc(CNc3ncc(Cl)c(C)c3-c3nn[n-]n3)co2)cc1 ZINC000826273747 609566474 /nfs/dbraw/zinc/56/64/74/609566474.db2.gz RWYSYFBDUWBLAJ-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826238522 609566595 /nfs/dbraw/zinc/56/65/95/609566595.db2.gz IPICFUHGJMMVBX-RMLUDKJBSA-N -1 3 397.241 3.550 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826238522 609566597 /nfs/dbraw/zinc/56/65/97/609566597.db2.gz IPICFUHGJMMVBX-RMLUDKJBSA-N -1 3 397.241 3.550 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323175 609591505 /nfs/dbraw/zinc/59/15/05/609591505.db2.gz UCOMBVBMDKLFET-QXMHVHEDSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323175 609591507 /nfs/dbraw/zinc/59/15/07/609591507.db2.gz UCOMBVBMDKLFET-QXMHVHEDSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264540 609609415 /nfs/dbraw/zinc/60/94/15/609609415.db2.gz RRGGLRQWHORUPN-LPHOPBHVSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264540 609609416 /nfs/dbraw/zinc/60/94/16/609609416.db2.gz RRGGLRQWHORUPN-LPHOPBHVSA-N -1 3 390.491 3.744 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc2ccc(F)cc2c1 ZINC000826465164 609617671 /nfs/dbraw/zinc/61/76/71/609617671.db2.gz AZEDWBAJQTVVTH-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc2ccc(F)cc2c1 ZINC000826465164 609617672 /nfs/dbraw/zinc/61/76/72/609617672.db2.gz AZEDWBAJQTVVTH-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713483 609630347 /nfs/dbraw/zinc/63/03/47/609630347.db2.gz ISCVCORDVCCDJG-ACJLOTCBSA-N -1 3 380.448 3.502 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713483 609630348 /nfs/dbraw/zinc/63/03/48/609630348.db2.gz ISCVCORDVCCDJG-ACJLOTCBSA-N -1 3 380.448 3.502 20 0 GHADHM Cc1ccc(NC(=O)c2nccs2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000683534836 837434127 /nfs/dbraw/zinc/43/41/27/837434127.db2.gz FEZPHUBVHLNKCW-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000625294679 837562456 /nfs/dbraw/zinc/56/24/56/837562456.db2.gz CPVDWRZWNKCVAP-KRWDZBQOSA-N -1 3 376.250 3.759 20 0 GHADHM Cc1c(=O)[n-]cnc1NC[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000414132293 837768033 /nfs/dbraw/zinc/76/80/33/837768033.db2.gz AGNSOLKDLMOZSF-IBGZPJMESA-N -1 3 393.487 3.668 20 0 GHADHM COc1cc(Br)c(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1OC ZINC001213500637 834462279 /nfs/dbraw/zinc/46/22/79/834462279.db2.gz MSFHOZYIUWIFPZ-UHFFFAOYSA-N -1 3 385.605 3.560 20 0 GHADHM O=S(=O)([N-]c1ccncc1Br)c1ccccc1C(F)(F)F ZINC000147718443 834492364 /nfs/dbraw/zinc/49/23/64/834492364.db2.gz ATUQKLUQPNUJTA-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000510288291 837785489 /nfs/dbraw/zinc/78/54/89/837785489.db2.gz FHFUCWCAPPSINH-UHFFFAOYSA-N -1 3 398.750 3.712 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000151037851 834582051 /nfs/dbraw/zinc/58/20/51/834582051.db2.gz SYTFAULVGJNGRO-GOSISDBHSA-N -1 3 395.377 3.960 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000151039850 834586942 /nfs/dbraw/zinc/58/69/42/834586942.db2.gz PMLPFXFBOXUUSG-IBGZPJMESA-N -1 3 393.405 3.758 20 0 GHADHM Cc1cc2cccnc2c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000091792656 834659161 /nfs/dbraw/zinc/65/91/61/834659161.db2.gz ZEJGHPFZFQUTER-UHFFFAOYSA-N -1 3 399.454 3.568 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c(Cl)cc1F ZINC000536109017 834903457 /nfs/dbraw/zinc/90/34/57/834903457.db2.gz RRUXAUAXTPCIDO-UHFFFAOYSA-N -1 3 378.208 3.970 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000683171807 834907184 /nfs/dbraw/zinc/90/71/84/834907184.db2.gz PRYCYVUXYDECQN-INIZCTEOSA-N -1 3 379.840 3.671 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000683172415 834915077 /nfs/dbraw/zinc/91/50/77/834915077.db2.gz ZKKXTWGPLJGFHI-KRWDZBQOSA-N -1 3 383.366 3.942 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(-n2cccn2)cc1)c1cccc(Br)c1 ZINC000683173808 834917511 /nfs/dbraw/zinc/91/75/11/834917511.db2.gz KKVPIKHUBXELSJ-QGZVFWFLSA-N -1 3 386.249 3.550 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458650004 834924053 /nfs/dbraw/zinc/92/40/53/834924053.db2.gz HVJONRQYEMNLMB-GFCCVEGCSA-N -1 3 391.756 3.567 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c(-c2ccccc2)s1 ZINC001211493989 834994282 /nfs/dbraw/zinc/99/42/82/834994282.db2.gz GFGAEGDTRLWLLY-DZGCQCFKSA-N -1 3 380.535 3.602 20 0 GHADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1cc(F)c(Cl)cc1Cl ZINC000049797727 835079333 /nfs/dbraw/zinc/07/93/33/835079333.db2.gz CBYPJVLPSXKMOE-QMMMGPOBSA-N -1 3 388.201 3.977 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(COc2cccc(F)c2)c1 ZINC000512495219 844019770 /nfs/dbraw/zinc/01/97/70/844019770.db2.gz WTJVYDHTURQNIT-UHFFFAOYSA-N -1 3 388.402 3.864 20 0 GHADHM CC[C@](C)(CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1OCCO1 ZINC000748071062 835158497 /nfs/dbraw/zinc/15/84/97/835158497.db2.gz LWIRWZUPNZQZOO-MRXNPFEDSA-N -1 3 396.336 3.841 20 0 GHADHM CC[C@@H](C)Oc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1OC ZINC000119364472 835232417 /nfs/dbraw/zinc/23/24/17/835232417.db2.gz UKYXFWNAUVZDEM-QGZVFWFLSA-N -1 3 398.503 3.536 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000109164953 835394859 /nfs/dbraw/zinc/39/48/59/835394859.db2.gz KPUCRZOSKYWPJI-UHFFFAOYSA-N -1 3 377.224 3.756 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c1Cl ZINC000433364388 844053659 /nfs/dbraw/zinc/05/36/59/844053659.db2.gz JRXHUJAQYKNLHR-UHFFFAOYSA-N -1 3 378.321 3.523 20 0 GHADHM O=S(=O)([N-]C1CCC(C(F)(F)F)CC1)c1ccc(Cl)nc1Cl ZINC000725819995 835469191 /nfs/dbraw/zinc/46/91/91/835469191.db2.gz GPTOGZHQFUVPNK-UHFFFAOYSA-N -1 3 377.215 3.788 20 0 GHADHM O=C(Cc1ccc(OC(F)F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000151513821 835478421 /nfs/dbraw/zinc/47/84/21/835478421.db2.gz WOATUASBDAQDRW-UHFFFAOYSA-N -1 3 386.192 3.615 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)c([O-])c1 ZINC000536203718 835510349 /nfs/dbraw/zinc/51/03/49/835510349.db2.gz IGCFFNRAWDLVIS-QGZVFWFLSA-N -1 3 394.830 3.603 20 0 GHADHM CC(=O)c1ccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1[O-] ZINC000412303059 844065051 /nfs/dbraw/zinc/06/50/51/844065051.db2.gz FNXIABKUJUJXRD-UHFFFAOYSA-N -1 3 381.350 3.508 20 0 GHADHM Cc1cc(CC(C)(C)C(=O)NCc2ncccc2[O-])ccc1Br ZINC000510126477 835587358 /nfs/dbraw/zinc/58/73/58/835587358.db2.gz DSCOMLMHUMGVJQ-UHFFFAOYSA-N -1 3 377.282 3.743 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)C(=O)c1cccc(F)c1 ZINC000151631418 835677184 /nfs/dbraw/zinc/67/71/84/835677184.db2.gz KBCNYLKECQZNCH-NSHDSACASA-N -1 3 394.240 3.819 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ncccc2[O-])cn1 ZINC000471195666 835711325 /nfs/dbraw/zinc/71/13/25/835711325.db2.gz QLTDCUVBKWIFOA-UHFFFAOYSA-N -1 3 380.404 3.613 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429955792 844080460 /nfs/dbraw/zinc/08/04/60/844080460.db2.gz QMUIGQWODFNJFI-TZMCWYRMSA-N -1 3 397.342 3.657 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000134454971 835730567 /nfs/dbraw/zinc/73/05/67/835730567.db2.gz WPRSTMHEPVZWEZ-AWEZNQCLSA-N -1 3 376.478 3.932 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1)c1cc(F)ccc1Cl ZINC000169098197 835826661 /nfs/dbraw/zinc/82/66/61/835826661.db2.gz QXHONBCOSJDTJZ-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM O=C(CC1CCCC1)N1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000329783260 835950171 /nfs/dbraw/zinc/95/01/71/835950171.db2.gz OJUAKTIUVSVTIF-UHFFFAOYSA-N -1 3 380.488 3.800 20 0 GHADHM COc1ccc(-c2ccc(C)c(NC(=O)c3cc(F)cc4n[n-]nc43)c2)cn1 ZINC000548923370 836127555 /nfs/dbraw/zinc/12/75/55/836127555.db2.gz DJEOPFVKSKJGPD-UHFFFAOYSA-N -1 3 377.379 3.728 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC4(CCC(O)CC4)CC3)cc2)cc(=O)[n-]1 ZINC000569901819 836137231 /nfs/dbraw/zinc/13/72/31/836137231.db2.gz LUGRQKKGCZDSLQ-UHFFFAOYSA-N -1 3 396.491 3.707 20 0 GHADHM O=C(NN=C([O-])NC1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000065921021 836226148 /nfs/dbraw/zinc/22/61/48/836226148.db2.gz ZOSTWMMQLPGMSA-UHFFFAOYSA-N -1 3 383.292 3.611 20 0 GHADHM O=C([N-]NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCCC1 ZINC000065921021 836226155 /nfs/dbraw/zinc/22/61/55/836226155.db2.gz ZOSTWMMQLPGMSA-UHFFFAOYSA-N -1 3 383.292 3.611 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCS1 ZINC000306029165 836308084 /nfs/dbraw/zinc/30/80/84/836308084.db2.gz NLEOEKXPMCGIEU-LBPRGKRZSA-N -1 3 384.748 3.667 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000174687032 836526372 /nfs/dbraw/zinc/52/63/72/836526372.db2.gz NVDRKNBWBCXLCM-INIZCTEOSA-N -1 3 375.425 3.663 20 0 GHADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153654204 836574792 /nfs/dbraw/zinc/57/47/92/836574792.db2.gz NAPIWTORYYWYKE-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM CC(C)c1ccc(OCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000067144193 836669174 /nfs/dbraw/zinc/66/91/74/836669174.db2.gz DINBTYVAQJOKCF-UHFFFAOYSA-N -1 3 376.478 3.589 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000133036813 836678361 /nfs/dbraw/zinc/67/83/61/836678361.db2.gz KBXNGTYZMZPBGE-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000636114729 836711582 /nfs/dbraw/zinc/71/15/82/836711582.db2.gz PJFCJVWQZSIKQG-UHFFFAOYSA-N -1 3 393.871 3.607 20 0 GHADHM COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015898069 836837434 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O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1Cl ZINC000020501426 840352121 /nfs/dbraw/zinc/35/21/21/840352121.db2.gz MOKVDDJDWSCPLJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1C(=O)N(C)C ZINC000433525891 844565914 /nfs/dbraw/zinc/56/59/14/844565914.db2.gz RFWQYCLLSVGZSW-UHFFFAOYSA-N -1 3 390.505 3.532 20 0 GHADHM Cc1cc(Br)ccc1SCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000047471447 840858023 /nfs/dbraw/zinc/85/80/23/840858023.db2.gz FFTGZKMIVIGMEK-UHFFFAOYSA-N -1 3 395.204 3.625 20 0 GHADHM Cc1cc(Br)ccc1SCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000047471447 840858035 /nfs/dbraw/zinc/85/80/35/840858035.db2.gz FFTGZKMIVIGMEK-UHFFFAOYSA-N -1 3 395.204 3.625 20 0 GHADHM O=C([O-])C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(F)cc1F ZINC000909343040 840886225 /nfs/dbraw/zinc/88/62/25/840886225.db2.gz PSTLIVPLCFIMLT-LJQANCHMSA-N -1 3 388.414 3.506 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000511835481 840910669 /nfs/dbraw/zinc/91/06/69/840910669.db2.gz 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C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000558465109 841185630 /nfs/dbraw/zinc/18/56/30/841185630.db2.gz QWKRRZNJROYWDL-MRXNPFEDSA-N -1 3 399.454 3.891 20 0 GHADHM C[C@]1(F)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430590308 841281774 /nfs/dbraw/zinc/28/17/74/841281774.db2.gz KMNCBOTVRWEAND-HNNXBMFYSA-N -1 3 387.636 3.518 20 0 GHADHM COc1cc([C@H](C)NC(=O)NCc2ncccc2[O-])ccc1OCCC(C)C ZINC000471658572 841415597 /nfs/dbraw/zinc/41/55/97/841415597.db2.gz MRYANKNNQBQVDU-HNNXBMFYSA-N -1 3 387.480 3.781 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000656565125 841416526 /nfs/dbraw/zinc/41/65/26/841416526.db2.gz FCGUSLZYXJVFLX-OALUTQOASA-N -1 3 375.852 3.813 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)n1 ZINC000049302163 841503191 /nfs/dbraw/zinc/50/31/91/841503191.db2.gz SHKQWXKBNNFWNB-UHFFFAOYSA-N -1 3 383.835 3.914 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC=C(c2ccco2)C1 ZINC000500177961 841576288 /nfs/dbraw/zinc/57/62/88/841576288.db2.gz JEPBQKANUWSALH-UHFFFAOYSA-N -1 3 377.238 3.747 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nccc(C)n2)c1)C1CCCCC1 ZINC000656624007 841595588 /nfs/dbraw/zinc/59/55/88/841595588.db2.gz XRZHHMIWMYUSCJ-IBGZPJMESA-N -1 3 389.521 3.789 20 0 GHADHM COC(=O)CCCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000759798275 841685070 /nfs/dbraw/zinc/68/50/70/841685070.db2.gz YYCNUWLATVKDPN-UHFFFAOYSA-N -1 3 382.309 3.785 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c(OC(F)F)c2)[n-]c1=O ZINC000276361727 841693354 /nfs/dbraw/zinc/69/33/54/841693354.db2.gz PPTYNPOCOXLAOS-JXMROGBWSA-N -1 3 380.347 3.529 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC(F)F)c(OCC)c2)[n-]c1=O ZINC000276387482 841780571 /nfs/dbraw/zinc/78/05/71/841780571.db2.gz UCKPYXSHRPJXAJ-FLIBITNWSA-N -1 3 394.374 3.920 20 0 GHADHM Cc1cc(Br)c(C[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC001213152621 841900247 /nfs/dbraw/zinc/90/02/47/841900247.db2.gz SNSOVPYJYFGKIT-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000909373745 842095121 /nfs/dbraw/zinc/09/51/21/842095121.db2.gz BMOMVSJWGMMASO-OAQYLSRUSA-N -1 3 380.488 3.927 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000471701370 842194173 /nfs/dbraw/zinc/19/41/73/842194173.db2.gz HUIZIHTUKRBEBG-INIZCTEOSA-N -1 3 392.452 3.589 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccccc1Cl)C1CCCC1)c2[O-] ZINC000512040934 842276659 /nfs/dbraw/zinc/27/66/59/842276659.db2.gz JYGOFQWQHXEQDW-UHFFFAOYSA-N -1 3 384.867 3.912 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430663781 842297171 /nfs/dbraw/zinc/29/71/71/842297171.db2.gz UOEHLWDTEVRSPB-DTWKUNHWSA-N -1 3 383.673 3.815 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc2c(s1)CCC2 ZINC000581869517 842340385 /nfs/dbraw/zinc/34/03/85/842340385.db2.gz HNNSSBAGXHTAHW-SECBINFHSA-N -1 3 396.310 3.660 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cc(Br)ccn1 ZINC000432273083 842471835 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GHADHM O=C([O-])[C@@H]1CN(CCOc2cc(F)cc(Br)c2)Cc2ccccc21 ZINC000652470296 842593404 /nfs/dbraw/zinc/59/34/04/842593404.db2.gz SNUABJSFIFUWGN-QGZVFWFLSA-N -1 3 394.240 3.651 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000432470076 842610210 /nfs/dbraw/zinc/61/02/10/842610210.db2.gz GUFYSNKDPNHCPR-IBGZPJMESA-N -1 3 390.505 3.661 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCc4ccccc4C3)CC2)c1 ZINC000652525272 842660669 /nfs/dbraw/zinc/66/06/69/842660669.db2.gz NZOIMRLUZBAUQN-UHFFFAOYSA-N -1 3 378.472 3.762 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccn1 ZINC000657038048 842665286 /nfs/dbraw/zinc/66/52/86/842665286.db2.gz AWFOZAHKMNUYKS-SNVBAGLBSA-N -1 3 378.803 3.836 20 0 GHADHM C[C@@H]1C[C@H]1c1noc(CC2CCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)n1 ZINC000652535184 842678689 /nfs/dbraw/zinc/67/86/89/842678689.db2.gz AVEZJRPZTNOQFM-CZUORRHYSA-N -1 3 392.459 3.899 20 0 GHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512168042 842710966 /nfs/dbraw/zinc/71/09/66/842710966.db2.gz ZSPRGDKWGBAGBI-VIFPVBQESA-N -1 3 391.258 3.740 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001211688749 842731973 /nfs/dbraw/zinc/73/19/73/842731973.db2.gz CACQDUPBZSYVHP-WDEREUQCSA-N -1 3 392.727 3.998 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1cc(Br)cnc1F)OCCO2 ZINC001125545464 842743033 /nfs/dbraw/zinc/74/30/33/842743033.db2.gz RWUWSXNRQKOHLG-UHFFFAOYSA-N -1 3 399.241 3.729 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)c1nc(C(F)(F)F)cs1 ZINC000581958803 842820065 /nfs/dbraw/zinc/82/00/65/842820065.db2.gz QQCGXADJURLQAH-QMMMGPOBSA-N -1 3 397.444 3.628 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)C3)cc1 ZINC000663256604 842925244 /nfs/dbraw/zinc/92/52/44/842925244.db2.gz XDCPUBRKSBLSCO-AWEZNQCLSA-N -1 3 388.489 3.527 20 0 GHADHM COCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000663262124 842937077 /nfs/dbraw/zinc/93/70/77/842937077.db2.gz PQOXHCVHTKIGGQ-KRWDZBQOSA-N -1 3 383.366 3.646 20 0 GHADHM CC(C)n1ncc2cc(CN[C@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cnc21 ZINC000663263391 842949054 /nfs/dbraw/zinc/94/90/54/842949054.db2.gz ZXFXEMNYIPNSFC-INIZCTEOSA-N -1 3 392.381 3.947 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000185803786 843032226 /nfs/dbraw/zinc/03/22/26/843032226.db2.gz BTQJXEUYIWOKGS-UHFFFAOYSA-N -1 3 385.445 3.583 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(n2cc(NCc3ccc([O-])c(F)c3)cn2)CC1 ZINC000893559346 843039106 /nfs/dbraw/zinc/03/91/06/843039106.db2.gz JDXPUECIKHLOOD-UHFFFAOYSA-N -1 3 390.459 3.912 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001211704771 843049513 /nfs/dbraw/zinc/04/95/13/843049513.db2.gz FDIBYDUQPYYQAF-ZIAGYGMSSA-N -1 3 385.501 3.743 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)cc1 ZINC000471872019 843082063 /nfs/dbraw/zinc/08/20/63/843082063.db2.gz RWUHVEODXOOSFL-ZDUSSCGKSA-N -1 3 389.452 3.619 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3oc(CC(C)C)nc3C)c2)n1 ZINC000188590021 843174430 /nfs/dbraw/zinc/17/44/30/843174430.db2.gz ZODWIRLFGBCSBH-UHFFFAOYSA-N -1 3 380.448 3.747 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cnc2nccnc2c1 ZINC000432593864 843243996 /nfs/dbraw/zinc/24/39/96/843243996.db2.gz PLQJRNHCLRXKMP-HNNXBMFYSA-N -1 3 388.456 3.597 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc(Cl)ccc1Cl ZINC000186927072 843253028 /nfs/dbraw/zinc/25/30/28/843253028.db2.gz ONTCYJNMDRBWDA-MRVPVSSYSA-N -1 3 378.215 3.760 20 0 GHADHM COc1ccccc1[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000730995650 861396113 /nfs/dbraw/zinc/39/61/13/861396113.db2.gz HWHGQTULGNJOJC-BARSGRSVSA-N -1 3 384.435 3.685 20 0 GHADHM COCCOc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1OC ZINC000432695391 843517236 /nfs/dbraw/zinc/51/72/36/843517236.db2.gz PUDBSYMTZUZIKY-CYVLTUHYSA-N -1 3 392.455 3.587 20 0 GHADHM O=C(CCCCC(=O)c1ccccc1)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001143526519 843585596 /nfs/dbraw/zinc/58/55/96/843585596.db2.gz XHPMLNIGBIKSKE-UHFFFAOYSA-N -1 3 390.443 3.612 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)c1 ZINC000500524817 843594976 /nfs/dbraw/zinc/59/49/76/843594976.db2.gz DNAHPVTVRCZQJI-JTQLQIEISA-N -1 3 381.500 3.789 20 0 GHADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429814581 843643010 /nfs/dbraw/zinc/64/30/10/843643010.db2.gz MPJSXSHOGSINFF-VIFPVBQESA-N -1 3 384.723 3.584 20 0 GHADHM O=C(OCCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000091893006 843676742 /nfs/dbraw/zinc/67/67/42/843676742.db2.gz SUFOMMZBKKNLBS-UHFFFAOYSA-N -1 3 391.342 3.736 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC001126286760 843684048 /nfs/dbraw/zinc/68/40/48/843684048.db2.gz VJIFICPSFWOMJL-UHFFFAOYSA-N -1 3 393.777 3.807 20 0 GHADHM Cc1csc(Sc2ccc([N-]S(=O)(=O)C[C@H]3CCCCO3)cc2)n1 ZINC000150846724 843728684 /nfs/dbraw/zinc/72/86/84/843728684.db2.gz WOJNRFAUVINNFH-CQSZACIVSA-N -1 3 384.548 3.914 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431184378 843826799 /nfs/dbraw/zinc/82/67/99/843826799.db2.gz TXDSSHMTGMMJPR-UHFFFAOYSA-N -1 3 395.456 3.686 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21)C(F)(F)F ZINC000548474625 843842929 /nfs/dbraw/zinc/84/29/29/843842929.db2.gz ULQKKZZBMPZUIP-INIZCTEOSA-N -1 3 388.411 3.808 20 0 GHADHM Cc1ccn(C2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)CC2)n1 ZINC000432943745 844682190 /nfs/dbraw/zinc/68/21/90/844682190.db2.gz NPLJYQYFEWAHEY-UHFFFAOYSA-N -1 3 392.463 3.532 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000432949019 844715836 /nfs/dbraw/zinc/71/58/36/844715836.db2.gz LSTWPRBJFGSLKD-PKOBYXMFSA-N -1 3 378.407 3.974 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(-c3ccc(C)o3)s2)s1 ZINC000181158649 844819105 /nfs/dbraw/zinc/81/91/05/844819105.db2.gz CHRQRMMBTWCWGE-UHFFFAOYSA-N -1 3 391.474 3.916 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000588481378 844902245 /nfs/dbraw/zinc/90/22/45/844902245.db2.gz DCGBEGMGVRWOPE-WHLNPGIBSA-N -1 3 381.885 3.888 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)ccc1O ZINC000603975415 861523867 /nfs/dbraw/zinc/52/38/67/861523867.db2.gz XHHJAZJPXNJJML-UHFFFAOYSA-N -1 3 397.452 3.955 20 0 GHADHM CCCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OC ZINC000277200816 845286203 /nfs/dbraw/zinc/28/62/03/845286203.db2.gz GNPORIQMKBOFIR-QGZVFWFLSA-N -1 3 379.840 3.759 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)cc2)cc1OC ZINC000277209831 845301340 /nfs/dbraw/zinc/30/13/40/845301340.db2.gz HEQRVORFKUWAJC-HNNXBMFYSA-N -1 3 394.265 3.772 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(Br)c2)c1 ZINC000277224826 845343379 /nfs/dbraw/zinc/34/33/79/845343379.db2.gz IDKKSUWOBIHISO-INIZCTEOSA-N -1 3 394.265 3.772 20 0 GHADHM C[C@H]1CN(Cc2ccc(CNCc3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000509790288 845409352 /nfs/dbraw/zinc/40/93/52/845409352.db2.gz XHBFHIHUVHJKCO-GJZGRUSLSA-N -1 3 376.447 3.569 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)o1 ZINC000433863135 845504951 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GHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)[n-]1 ZINC000431340421 846162772 /nfs/dbraw/zinc/16/27/72/846162772.db2.gz BMRHWAIZZHACLO-UHFFFAOYSA-N -1 3 375.428 3.616 20 0 GHADHM CC(C)CC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCC1 ZINC000421681580 846484211 /nfs/dbraw/zinc/48/42/11/846484211.db2.gz HVECXYNPBBXYKZ-UHFFFAOYSA-N -1 3 382.224 3.785 20 0 GHADHM COc1ccc(-c2n[nH]cc2C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000179654175 861686275 /nfs/dbraw/zinc/68/62/75/861686275.db2.gz ICKPOPKUMPLJDR-UHFFFAOYSA-N -1 3 388.221 3.806 20 0 GHADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)ccc1F ZINC000728480116 846564015 /nfs/dbraw/zinc/56/40/15/846564015.db2.gz NCLUUKMTJHJGTP-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419591872 846678386 /nfs/dbraw/zinc/67/83/86/846678386.db2.gz UTOZAENLIJJFKO-JTQLQIEISA-N -1 3 393.896 3.982 20 0 GHADHM CC(C)n1nccc1NC(=O)[C@@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419610879 846697920 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COc1ccc(N[C@H](C)c2ccc(SC)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000272107649 846993069 /nfs/dbraw/zinc/99/30/69/846993069.db2.gz PUQBYEJAPDXIFS-GFCCVEGCSA-N -1 3 396.534 3.970 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000501617677 847060158 /nfs/dbraw/zinc/06/01/58/847060158.db2.gz HTPGWENOKOXBKG-QWRGUYRKSA-N -1 3 390.361 3.511 20 0 GHADHM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CC1 ZINC000434121315 847078850 /nfs/dbraw/zinc/07/88/50/847078850.db2.gz QJDJOPWHRWWBEI-AWEZNQCLSA-N -1 3 376.460 3.767 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000273303219 847300462 /nfs/dbraw/zinc/30/04/62/847300462.db2.gz UQGUGYKJRMXXLP-JOCHJYFZSA-N -1 3 399.491 3.707 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000899781722 861781955 /nfs/dbraw/zinc/78/19/55/861781955.db2.gz GQOKTBYSJRCZNK-HLIPFELVSA-N -1 3 380.916 3.586 20 0 GHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000420672011 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GHADHM CC(C)(C)c1ccc(CN[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000414660370 847620554 /nfs/dbraw/zinc/62/05/54/847620554.db2.gz PDFZOYXKHKIQQW-WOJBJXKFSA-N -1 3 380.488 3.501 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503535615 847771601 /nfs/dbraw/zinc/77/16/01/847771601.db2.gz ORMQNPKOUWQALX-UHFFFAOYSA-N -1 3 375.494 3.952 20 0 GHADHM CSCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000023989173 847806879 /nfs/dbraw/zinc/80/68/79/847806879.db2.gz DLPYHDRLJKBVND-UHFFFAOYSA-N -1 3 382.482 3.627 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000128063501 847995151 /nfs/dbraw/zinc/99/51/51/847995151.db2.gz KGIXPBRTWVINCF-UHFFFAOYSA-N -1 3 394.412 3.817 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)ccc1F ZINC000728503848 848103761 /nfs/dbraw/zinc/10/37/61/848103761.db2.gz CEUUTQONLSAILG-UHFFFAOYSA-N -1 3 381.425 3.510 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1 ZINC000728507974 848120966 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GHADHM CCOC(=O)c1cc2cc(NC(=O)c3nnc4ccccc4c3[O-])ccc2s1 ZINC000731894818 861941986 /nfs/dbraw/zinc/94/19/86/861941986.db2.gz AOUWGQGMZTXBGC-UHFFFAOYSA-N -1 3 393.424 3.979 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ncccc1C(F)(F)F ZINC000180091204 861946984 /nfs/dbraw/zinc/94/69/84/861946984.db2.gz HGUOMAFTGQHEDF-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000115039901 848872842 /nfs/dbraw/zinc/87/28/42/848872842.db2.gz LLVOPUSWMVQGSY-UHFFFAOYSA-N -1 3 388.503 3.684 20 0 GHADHM CCCCc1nc(NC(=O)C2CCC(OC(F)F)CC2)c(C(=O)OCC)[n-]1 ZINC000583433114 848905447 /nfs/dbraw/zinc/90/54/47/848905447.db2.gz PPAXENGBDVMYFQ-UHFFFAOYSA-N -1 3 387.427 3.666 20 0 GHADHM Cn1c(COc2ccc(Cl)cc2)nnc1Sc1nc2ccccc2c(=O)[n-]1 ZINC000731920528 861959965 /nfs/dbraw/zinc/95/99/65/861959965.db2.gz ORXQAMWUNRWKNR-UHFFFAOYSA-N -1 3 399.863 3.848 20 0 GHADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000122984726 849040030 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GHADHM CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)c1 ZINC000504245341 849985132 /nfs/dbraw/zinc/98/51/32/849985132.db2.gz FDHXVQCKMQFOGQ-UHFFFAOYSA-N -1 3 392.440 3.837 20 0 GHADHM COc1cc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC000894286883 850130695 /nfs/dbraw/zinc/13/06/95/850130695.db2.gz RBCSYMKWYFKUJA-SNVBAGLBSA-N -1 3 393.369 3.546 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424259322 850318974 /nfs/dbraw/zinc/31/89/74/850318974.db2.gz MYRHZOXGQINYEG-CQSZACIVSA-N -1 3 387.307 3.671 20 0 GHADHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000487128514 850490532 /nfs/dbraw/zinc/49/05/32/850490532.db2.gz BDJPRMYWLMTGGC-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM O=C([C@H](Sc1ccc(F)cc1)c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000519028242 850515253 /nfs/dbraw/zinc/51/52/53/850515253.db2.gz CNNZIGGAVHYYEB-LJQANCHMSA-N -1 3 395.459 3.740 20 0 GHADHM C[C@H](CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000908989947 850521403 /nfs/dbraw/zinc/52/14/03/850521403.db2.gz OCZMNFJULJDBNM-QMMLZNLJSA-N -1 3 395.503 3.507 20 0 GHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435440673 850529458 /nfs/dbraw/zinc/52/94/58/850529458.db2.gz YTMHUTFFZOPDDH-HTQZYQBOSA-N -1 3 395.287 3.804 20 0 GHADHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435445966 850536515 /nfs/dbraw/zinc/53/65/15/850536515.db2.gz IGXCCHVBPUUWCT-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc4c(F)ccc(F)c4c3)cc2)n1 ZINC000550023495 850556394 /nfs/dbraw/zinc/55/63/94/850556394.db2.gz BTMCMQUNOHPNBS-UHFFFAOYSA-N -1 3 392.365 3.824 20 0 GHADHM Cc1cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc(C)c1O ZINC000505058683 850559736 /nfs/dbraw/zinc/55/97/36/850559736.db2.gz YUVXIALSQOWGEA-UHFFFAOYSA-N -1 3 378.432 3.802 20 0 GHADHM CCCOc1ccc(C(=O)CCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000519067223 850583790 /nfs/dbraw/zinc/58/37/90/850583790.db2.gz NLQGCAJVZRODHO-UHFFFAOYSA-N -1 3 377.444 3.889 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000424716859 850639805 /nfs/dbraw/zinc/63/98/05/850639805.db2.gz CDDKYAHFBJGHGP-DZGCQCFKSA-N -1 3 382.863 3.751 20 0 GHADHM O=C(CCCc1ccccc1Br)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000487325959 850696605 /nfs/dbraw/zinc/69/66/05/850696605.db2.gz WUMIHERPNWABNJ-UHFFFAOYSA-N -1 3 385.265 3.618 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccc(F)cc2)c1 ZINC000185852815 862165920 /nfs/dbraw/zinc/16/59/20/862165920.db2.gz AHIWXVKLSNYENW-UHFFFAOYSA-N -1 3 397.406 3.745 20 0 GHADHM Cc1cccc([C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1C ZINC000909796548 850778250 /nfs/dbraw/zinc/77/82/50/850778250.db2.gz OZGVIXAEANORPR-NQIIRXRSSA-N -1 3 398.478 3.597 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000519244144 850804378 /nfs/dbraw/zinc/80/43/78/850804378.db2.gz ZJABNLMMGDCBEP-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000909840922 850818936 /nfs/dbraw/zinc/81/89/36/850818936.db2.gz OLBCBVSBIUIXKJ-CRAIPNDOSA-N -1 3 384.451 3.865 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)CCCC1 ZINC000515261045 850837100 /nfs/dbraw/zinc/83/71/00/850837100.db2.gz NORXTBHPTAAKQI-UHFFFAOYSA-N -1 3 394.518 3.594 20 0 GHADHM COc1ccc(Nc2nnc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000487706880 850851120 /nfs/dbraw/zinc/85/11/20/850851120.db2.gz IDGFITYZGALVSG-JTQLQIEISA-N -1 3 375.479 3.948 20 0 GHADHM CCSc1nccnc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000435756357 850852185 /nfs/dbraw/zinc/85/21/85/850852185.db2.gz QHKRCLOOIDHMAJ-UHFFFAOYSA-N -1 3 394.287 3.960 20 0 GHADHM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1nnc2ccccc2c1[O-] ZINC000732266448 862178987 /nfs/dbraw/zinc/17/89/87/862178987.db2.gz BOJGZZGISLNPTR-UHFFFAOYSA-N -1 3 398.394 3.913 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000732264693 862179173 /nfs/dbraw/zinc/17/91/73/862179173.db2.gz ILTQHTCOSBMKHE-CYBMUJFWSA-N -1 3 390.468 3.965 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C(F)F)n(C)n3)nc(=O)c2c1C ZINC000910007552 850954613 /nfs/dbraw/zinc/95/46/13/850954613.db2.gz XKZWGAOKBWQJFM-ZETCQYMHSA-N -1 3 382.392 3.603 20 0 GHADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000519369792 850967958 /nfs/dbraw/zinc/96/79/58/850967958.db2.gz YPGXSYWUIROJMT-UHFFFAOYSA-N -1 3 393.334 3.630 20 0 GHADHM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1nnc2ccccc2c1[O-] ZINC000732285163 862190925 /nfs/dbraw/zinc/19/09/25/862190925.db2.gz UPIVOMUFIFVDEM-UHFFFAOYSA-N -1 3 395.422 3.809 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C2CC2)cc1 ZINC000515405695 850986153 /nfs/dbraw/zinc/98/61/53/850986153.db2.gz ADEMZVUMVJBKEH-MGPUTAFESA-N -1 3 378.472 3.752 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)c(C)o1 ZINC000434352263 851022537 /nfs/dbraw/zinc/02/25/37/851022537.db2.gz GAAXUVPQOQUGKK-MRXNPFEDSA-N -1 3 398.912 3.667 20 0 GHADHM COc1cc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)cc(Br)c1[O-] ZINC000426631039 851036626 /nfs/dbraw/zinc/03/66/26/851036626.db2.gz MNPIQKZBYYTRFJ-DIFFPNOSSA-N -1 3 386.286 3.534 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC3(CCO)CCCCC3)cc2)cc(=O)[n-]1 ZINC000440322241 851062212 /nfs/dbraw/zinc/06/22/12/851062212.db2.gz DHGZZSSGYOIAJE-UHFFFAOYSA-N -1 3 384.480 3.612 20 0 GHADHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000910243264 851083528 /nfs/dbraw/zinc/08/35/28/851083528.db2.gz XSVJPXUBOSXRIA-DOTOQJQBSA-N -1 3 398.425 3.556 20 0 GHADHM Cc1ccc(-c2[n-][nH]c(=NC(=O)C3CCN(Cc4ccccc4)CC3)c2C)o1 ZINC000434442412 851113464 /nfs/dbraw/zinc/11/34/64/851113464.db2.gz YDASOLOSTNQULR-UHFFFAOYSA-N -1 3 378.476 3.559 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CC3(C)C)c2)cc1 ZINC000488123664 851171200 /nfs/dbraw/zinc/17/12/00/851171200.db2.gz XSGXBCBKVSGTBC-INIZCTEOSA-N -1 3 386.517 3.880 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)ccc1F ZINC001269794285 851180591 /nfs/dbraw/zinc/18/05/91/851180591.db2.gz FYQYHQYGYJMROR-DOTOQJQBSA-N -1 3 398.544 3.847 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000550051514 851308274 /nfs/dbraw/zinc/30/82/74/851308274.db2.gz WZUMQJQKEGQTRU-MRXNPFEDSA-N -1 3 376.865 3.508 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000473639028 851316584 /nfs/dbraw/zinc/31/65/84/851316584.db2.gz CAHOUBNCFXVPNC-UHFFFAOYSA-N -1 3 390.468 3.886 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1Cl ZINC000434634496 851369902 /nfs/dbraw/zinc/36/99/02/851369902.db2.gz SAPCTXDPNURSKC-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000473644540 851374169 /nfs/dbraw/zinc/37/41/69/851374169.db2.gz SGBBVRDOEBKPKR-UHFFFAOYSA-N -1 3 376.441 3.631 20 0 GHADHM COc1cc(Cl)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1OC ZINC000514220146 851404389 /nfs/dbraw/zinc/40/43/89/851404389.db2.gz VCGUHUJUTVMYKQ-UHFFFAOYSA-N -1 3 393.777 3.700 20 0 GHADHM CNC(=O)[C@H]1CCCc2sc(/C=C/c3cc([O-])ccc3Br)nc21 ZINC000515869758 851583400 /nfs/dbraw/zinc/58/34/00/851583400.db2.gz KFNXPGVPQIRDFS-ZCRIDZFUSA-N -1 3 393.306 3.948 20 0 GHADHM C[C@H]1CCc2nc(CNC3CCN(c4ccc(C(=O)[O-])cc4)CC3)sc2C1 ZINC000426661721 851630977 /nfs/dbraw/zinc/63/09/77/851630977.db2.gz DWOIZXSSYLAYSU-AWEZNQCLSA-N -1 3 385.533 3.725 20 0 GHADHM CC1(C)C[C@]1(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccccc1 ZINC001167973609 851640823 /nfs/dbraw/zinc/64/08/23/851640823.db2.gz UYUJNJYLYDBNNG-IBGZPJMESA-N -1 3 392.908 3.767 20 0 GHADHM CCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000911251942 851648978 /nfs/dbraw/zinc/64/89/78/851648978.db2.gz HJUFUYVBXSOMGF-UTKZUKDTSA-N -1 3 380.488 3.611 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000488683648 851693766 /nfs/dbraw/zinc/69/37/66/851693766.db2.gz JDFKKRUXNOUSFH-LBPRGKRZSA-N -1 3 396.668 3.676 20 0 GHADHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000488755547 851741370 /nfs/dbraw/zinc/74/13/70/851741370.db2.gz BICDRQWPVBSYDK-UHFFFAOYSA-N -1 3 391.386 3.900 20 0 GHADHM COc1cc(CN(C)C)ccc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000911478954 851764499 /nfs/dbraw/zinc/76/44/99/851764499.db2.gz WOONIJDTUXXHOJ-CYBMUJFWSA-N -1 3 388.489 3.574 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488944287 851879549 /nfs/dbraw/zinc/87/95/49/851879549.db2.gz SJWDDDPHCNFPCM-CZUORRHYSA-N -1 3 382.888 3.593 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)ccc1Cl ZINC000655555933 851910663 /nfs/dbraw/zinc/91/06/63/851910663.db2.gz CSSWKZFVNSXKDJ-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM O=C(CCc1cccc(OCc2ccccc2)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850870 851933185 /nfs/dbraw/zinc/93/31/85/851933185.db2.gz AQHFPFYXVJEHRN-IBGZPJMESA-N -1 3 391.471 3.643 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000911854137 851934867 /nfs/dbraw/zinc/93/48/67/851934867.db2.gz IEZWHAIRQGZTIJ-UHFFFAOYSA-N -1 3 377.897 3.544 20 0 GHADHM Cc1ccc(SC2CCCC2)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC000911855294 851935188 /nfs/dbraw/zinc/93/51/88/851935188.db2.gz RVQGMPIBWRSMJJ-UHFFFAOYSA-N -1 3 375.519 3.744 20 0 GHADHM COc1cccc(C2(CNC(=O)c3cc(=O)c4ccccc4[n-]3)CCCC2)c1 ZINC000517458185 851968260 /nfs/dbraw/zinc/96/82/60/851968260.db2.gz LCCUNZAJIZQLML-UHFFFAOYSA-N -1 3 376.456 3.779 20 0 GHADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000436523305 852014377 /nfs/dbraw/zinc/01/43/77/852014377.db2.gz RZSQVHKJZBIDJJ-OALUTQOASA-N -1 3 391.508 3.999 20 0 GHADHM C[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C(C)(C)C1 ZINC000436525304 852015963 /nfs/dbraw/zinc/01/59/63/852015963.db2.gz FZPOADAINRWGME-UZLBHIALSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Nc2cccn(Cc3ccccc3)c2=O)[nH][n-]1 ZINC000436518819 852031785 /nfs/dbraw/zinc/03/17/85/852031785.db2.gz LXWOARUZHDMLPO-UHFFFAOYSA-N -1 3 399.454 3.661 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1noc(C)n1 ZINC000436549216 852036816 /nfs/dbraw/zinc/03/68/16/852036816.db2.gz VINFIZHGALMTSO-LJQANCHMSA-N -1 3 381.432 3.735 20 0 GHADHM C[C@H](C1CCC1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436562747 852065808 /nfs/dbraw/zinc/06/58/08/852065808.db2.gz NZDACNBIZQABRZ-IIBYNOLFSA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)c1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)nc(C(C)C)n1 ZINC000436608492 852108388 /nfs/dbraw/zinc/10/83/88/852108388.db2.gz QNGLTMUAEMBCSB-UHFFFAOYSA-N -1 3 382.508 3.568 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436609089 852109323 /nfs/dbraw/zinc/10/93/23/852109323.db2.gz RHXOHIBFIBQAJZ-CQSZACIVSA-N -1 3 378.394 3.930 20 0 GHADHM O=C(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])N1CCCCCC1 ZINC000436618068 852117910 /nfs/dbraw/zinc/11/79/10/852117910.db2.gz PXLPVCONVBAIDP-UHFFFAOYSA-N -1 3 380.488 3.506 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)c1[O-] ZINC000436626511 852120853 /nfs/dbraw/zinc/12/08/53/852120853.db2.gz JODSEHKBHILQBA-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])o1 ZINC000436637775 852131909 /nfs/dbraw/zinc/13/19/09/852131909.db2.gz CBZFOFOKDGCKKB-MAUKXSAKSA-N -1 3 384.476 3.722 20 0 GHADHM CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1c([O-])cccc1O ZINC000436650819 852139541 /nfs/dbraw/zinc/13/95/41/852139541.db2.gz XMSTXRAXYJDSBS-UHFFFAOYSA-N -1 3 393.439 3.828 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cccc(OC(F)(F)F)c1F ZINC000489239729 852156157 /nfs/dbraw/zinc/15/61/57/852156157.db2.gz YWCJRLUKFCVIKQ-UHFFFAOYSA-N -1 3 388.342 3.684 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-c3nccs3)cc2)c([O-])c1 ZINC000436668478 852166294 /nfs/dbraw/zinc/16/62/94/852166294.db2.gz WZJWQZKOJKOKPH-UHFFFAOYSA-N -1 3 381.457 3.583 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)[nH][n-]1 ZINC000436690875 852200912 /nfs/dbraw/zinc/20/09/12/852200912.db2.gz IPIPHWNYRBSKPW-UHFFFAOYSA-N -1 3 389.242 3.691 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc([C@H]3CCCc4ccccc43)no2)c([O-])c1 ZINC000436692808 852203456 /nfs/dbraw/zinc/20/34/56/852203456.db2.gz YGTFNSDBBLITNI-KRWDZBQOSA-N -1 3 377.444 3.524 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436709633 852204610 /nfs/dbraw/zinc/20/46/10/852204610.db2.gz YTKFWXNFWPBZFS-INIZCTEOSA-N -1 3 397.475 3.559 20 0 GHADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436701026 852215799 /nfs/dbraw/zinc/21/57/99/852215799.db2.gz BKAKBOYFLKVJTI-PMACEKPBSA-N -1 3 394.515 3.554 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000007055438 852226440 /nfs/dbraw/zinc/22/64/40/852226440.db2.gz NBJFINIHKUICHE-UHFFFAOYSA-N -1 3 387.288 3.631 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@H]1C ZINC000436727068 852227936 /nfs/dbraw/zinc/22/79/36/852227936.db2.gz XGRKUPFSGVLNJH-IAGOWNOFSA-N -1 3 380.488 3.502 20 0 GHADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])c(I)c1 ZINC000436715454 852237988 /nfs/dbraw/zinc/23/79/88/852237988.db2.gz PDNWTVPWYCOGHY-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436716978 852239404 /nfs/dbraw/zinc/23/94/04/852239404.db2.gz UXHOZOCBLIWWCG-KXBFYZLASA-N -1 3 382.460 3.813 20 0 GHADHM COc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436716269 852240570 /nfs/dbraw/zinc/24/05/70/852240570.db2.gz PJKVNOUGZHNYSJ-BFUOFWGJSA-N -1 3 392.858 3.616 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1OCC(F)(F)F ZINC000426704030 852288538 /nfs/dbraw/zinc/28/85/38/852288538.db2.gz OVXLVGPOLRYNFN-QGZVFWFLSA-N -1 3 383.366 3.860 20 0 GHADHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436752898 852295963 /nfs/dbraw/zinc/29/59/63/852295963.db2.gz SIMUWOMPIPDJOU-UHFFFAOYSA-N -1 3 375.472 3.858 20 0 GHADHM COc1ccc([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])c2nccn2C)cc1 ZINC000436753099 852296109 /nfs/dbraw/zinc/29/61/09/852296109.db2.gz CHIGAOQYVRSGJV-FQEVSTJZSA-N -1 3 379.460 3.777 20 0 GHADHM Cc1cc2cc(CN[C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])oc2cc1C ZINC000426725678 852310371 /nfs/dbraw/zinc/31/03/71/852310371.db2.gz CXVLZFFEOCLYND-AWEZNQCLSA-N -1 3 381.354 3.508 20 0 GHADHM CC(C)CC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000436780138 852315794 /nfs/dbraw/zinc/31/57/94/852315794.db2.gz ZLQJZGNCZBJQBG-IBGZPJMESA-N -1 3 389.540 3.711 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000436788400 852343822 /nfs/dbraw/zinc/34/38/22/852343822.db2.gz YOHFTRFNNQMLNZ-VWNXMTODSA-N -1 3 377.484 3.961 20 0 GHADHM COc1ccc(OCc2nc(CN[C@H](CC3CCCC3)C(=O)[O-])cs2)cc1 ZINC000426745428 852346746 /nfs/dbraw/zinc/34/67/46/852346746.db2.gz ZYJDIBIPNRDQOQ-GOSISDBHSA-N -1 3 390.505 3.854 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccncc1 ZINC000426765863 852351209 /nfs/dbraw/zinc/35/12/09/852351209.db2.gz SYQBDTKUIFNNHB-NRFANRHFSA-N -1 3 378.428 3.585 20 0 GHADHM COc1ccc([C@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])cc1F ZINC000426799487 852410114 /nfs/dbraw/zinc/41/01/14/852410114.db2.gz LDAFENWWTLGCLK-INIZCTEOSA-N -1 3 387.329 3.691 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c([O-])c1 ZINC000436848951 852415281 /nfs/dbraw/zinc/41/52/81/852415281.db2.gz XTFUWPKVCCYKPW-UHFFFAOYSA-N -1 3 392.402 3.525 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1C[C@H](CO)c2ccccc21 ZINC000436884866 852456499 /nfs/dbraw/zinc/45/64/99/852456499.db2.gz FIWSLDWFFXLOPB-QGZVFWFLSA-N -1 3 375.424 3.708 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CC2CCC1CC2 ZINC000436904380 852469563 /nfs/dbraw/zinc/46/95/63/852469563.db2.gz PRWYEQVGZIPHBI-ACQPOBLQSA-N -1 3 392.499 3.948 20 0 GHADHM CN(Cc1cccs1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436900862 852486382 /nfs/dbraw/zinc/48/63/82/852486382.db2.gz DWQUIWIGAPZRDZ-FQEVSTJZSA-N -1 3 394.496 3.974 20 0 GHADHM COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436915113 852492643 /nfs/dbraw/zinc/49/26/43/852492643.db2.gz OXRJSOXQTWIKGD-UHFFFAOYSA-N -1 3 376.456 3.989 20 0 GHADHM C[C@H]1COC2(CCCC2)CN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912686989 852496548 /nfs/dbraw/zinc/49/65/48/852496548.db2.gz FAYJXONHCVWWIR-LBPRGKRZSA-N -1 3 381.498 3.664 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000436916565 852496736 /nfs/dbraw/zinc/49/67/36/852496736.db2.gz UOSCVGLJGGGSMN-UHFFFAOYSA-N -1 3 398.785 3.612 20 0 GHADHM COc1cccc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)c1[O-] ZINC000436919532 852501283 /nfs/dbraw/zinc/50/12/83/852501283.db2.gz LPFKEWGTTXMSJA-UHFFFAOYSA-N -1 3 391.214 3.996 20 0 GHADHM CC1=CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000438518781 852504422 /nfs/dbraw/zinc/50/44/22/852504422.db2.gz TYIZWHCAOAMQST-UHFFFAOYSA-N -1 3 381.657 3.736 20 0 GHADHM COc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1[O-] ZINC000436935199 852517784 /nfs/dbraw/zinc/51/77/84/852517784.db2.gz NWYFUULBEXWUFK-UHFFFAOYSA-N -1 3 379.800 3.964 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 ZINC000516412478 852528400 /nfs/dbraw/zinc/52/84/00/852528400.db2.gz GNAIEOJKOCSKSY-UHFFFAOYSA-N -1 3 379.478 3.992 20 0 GHADHM Cc1ccc2c(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)csc2c1 ZINC000436965060 852536397 /nfs/dbraw/zinc/53/63/97/852536397.db2.gz JUHRGOQVOVMYTP-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(C)ccc32)c1 ZINC000436952150 852540789 /nfs/dbraw/zinc/54/07/89/852540789.db2.gz VUTZSBIBXJPOPL-LJQANCHMSA-N -1 3 391.427 3.667 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000436983074 852570861 /nfs/dbraw/zinc/57/08/61/852570861.db2.gz BYGWOMGTKDYEBF-RMKBEBRYSA-N -1 3 375.490 3.800 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983004 852570966 /nfs/dbraw/zinc/57/09/66/852570966.db2.gz WGVKCFLANJKOJV-ZFWWWQNUSA-N -1 3 387.505 3.741 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000438702393 852726665 /nfs/dbraw/zinc/72/66/65/852726665.db2.gz RONXRQMKFIYDAD-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000180886971 862390681 /nfs/dbraw/zinc/39/06/81/862390681.db2.gz VUQZKYKUYZEPEV-UHFFFAOYSA-N -1 3 383.408 3.812 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)o1 ZINC000490501315 853057706 /nfs/dbraw/zinc/05/77/06/853057706.db2.gz RTRTWUJUACOTLQ-UHFFFAOYSA-N -1 3 393.292 3.729 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507613102 853108514 /nfs/dbraw/zinc/10/85/14/853108514.db2.gz NYTSWBNJOXVJAD-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000490609935 853134277 /nfs/dbraw/zinc/13/42/77/853134277.db2.gz QGQCFAZKWLZAFV-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM CN(Cc1cccc([O-])c1Cl)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000507650415 853136009 /nfs/dbraw/zinc/13/60/09/853136009.db2.gz AQUQKCKHWNTESW-AWEZNQCLSA-N -1 3 389.801 3.936 20 0 GHADHM Cc1ccc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000604747787 862433637 /nfs/dbraw/zinc/43/36/37/862433637.db2.gz WVYUDJCYJPYKKR-UHFFFAOYSA-N -1 3 385.261 3.572 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298233 853208419 /nfs/dbraw/zinc/20/84/19/853208419.db2.gz HHCIEZFBEACMLH-ZDUSSCGKSA-N -1 3 395.415 3.692 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298233 853208428 /nfs/dbraw/zinc/20/84/28/853208428.db2.gz HHCIEZFBEACMLH-ZDUSSCGKSA-N -1 3 395.415 3.692 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C(C)C)c1 ZINC000913301801 853211810 /nfs/dbraw/zinc/21/18/10/853211810.db2.gz BJZPWQINHPUVRK-LJQANCHMSA-N -1 3 395.415 3.692 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C(C)C)c1 ZINC000913301801 853211817 /nfs/dbraw/zinc/21/18/17/853211817.db2.gz BJZPWQINHPUVRK-LJQANCHMSA-N -1 3 395.415 3.692 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000913296070 853220103 /nfs/dbraw/zinc/22/01/03/853220103.db2.gz KDIYGIONZDHORB-MRVPVSSYSA-N -1 3 395.202 3.556 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000913296070 853220117 /nfs/dbraw/zinc/22/01/17/853220117.db2.gz KDIYGIONZDHORB-MRVPVSSYSA-N -1 3 395.202 3.556 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913302118 853224849 /nfs/dbraw/zinc/22/48/49/853224849.db2.gz OESJECSFYTURPA-KGLIPLIRSA-N -1 3 381.432 3.655 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913302118 853224853 /nfs/dbraw/zinc/22/48/53/853224853.db2.gz OESJECSFYTURPA-KGLIPLIRSA-N -1 3 381.432 3.655 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)c([O-])c1 ZINC000490788968 853261749 /nfs/dbraw/zinc/26/17/49/853261749.db2.gz CQEQRGWGJLISCQ-PIGZYNQJSA-N -1 3 375.446 3.519 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000913420698 853326732 /nfs/dbraw/zinc/32/67/32/853326732.db2.gz NIZIKDOUQAGIMI-HIFRSBDPSA-N -1 3 389.477 3.750 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000490929909 853355775 /nfs/dbraw/zinc/35/57/75/853355775.db2.gz ZQVNDXNADWADHR-INIZCTEOSA-N -1 3 380.366 3.817 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1 ZINC000518466156 853379009 /nfs/dbraw/zinc/37/90/09/853379009.db2.gz BGKYEKNOLJLHBE-MRXNPFEDSA-N -1 3 393.505 3.998 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000519703536 853386323 /nfs/dbraw/zinc/38/63/23/853386323.db2.gz JPUJDQPXDSCNKS-UHFFFAOYSA-N -1 3 395.459 3.763 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000519707783 853417491 /nfs/dbraw/zinc/41/74/91/853417491.db2.gz NODFKVOFCIBCGS-ORAYPTAESA-N -1 3 377.872 3.808 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3nccn3C)c3ccccc3)nc2)n1 ZINC000517162957 853450937 /nfs/dbraw/zinc/45/09/37/853450937.db2.gz KBUKHVGOSPXNPN-HXUWFJFHSA-N -1 3 386.459 3.742 20 0 GHADHM CC(C)Cn1ncc([N-]S(=O)(=O)CCC2Cc3ccccc3C2)c1C1CC1 ZINC000519818199 853511860 /nfs/dbraw/zinc/51/18/60/853511860.db2.gz DYXQNABPZMAZMF-UHFFFAOYSA-N -1 3 387.549 3.963 20 0 GHADHM CCc1c(C(=O)Nc2cccc(C(C)=O)c2[O-])nnn1-c1cccc(Cl)c1 ZINC000518603956 853559275 /nfs/dbraw/zinc/55/92/75/853559275.db2.gz GSIIWPCXIXIYOI-UHFFFAOYSA-N -1 3 384.823 3.644 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1OC ZINC000437833225 853562416 /nfs/dbraw/zinc/56/24/16/853562416.db2.gz AWWOLPMNJNSBBN-WBVHZDCISA-N -1 3 395.525 3.547 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1 ZINC000518711777 853659891 /nfs/dbraw/zinc/65/98/91/853659891.db2.gz RPNQNHQETJQWPP-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM CCCCc1nc(NC(=O)c2coc3ccc(OC)cc23)c(C(=O)OCC)[n-]1 ZINC000440898109 853728767 /nfs/dbraw/zinc/72/87/67/853728767.db2.gz WXYRQAPFAAXOCG-UHFFFAOYSA-N -1 3 385.420 3.936 20 0 GHADHM Cc1cc(CSc2ncccc2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)no1 ZINC000519998267 853738887 /nfs/dbraw/zinc/73/88/87/853738887.db2.gz RQHNBEZYJLQAQI-UHFFFAOYSA-N -1 3 391.456 3.735 20 0 GHADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C[C@@H](c2ccccc2)C1 ZINC001212145646 853746060 /nfs/dbraw/zinc/74/60/60/853746060.db2.gz OJWHWPHVRGYQJY-BLRAUCGSSA-N -1 3 386.583 3.690 20 0 GHADHM O=C([N-]NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1F ZINC000044774576 853836545 /nfs/dbraw/zinc/83/65/45/853836545.db2.gz MBZAYXFGEMKPTQ-UONOGXRCSA-N -1 3 395.459 3.946 20 0 GHADHM C[C@H]1CCCN(c2nnc(SCc3ncccc3[O-])n2Cc2ccco2)C1 ZINC000571702168 853993266 /nfs/dbraw/zinc/99/32/66/853993266.db2.gz DRXBYPZHTRVYRV-AWEZNQCLSA-N -1 3 385.493 3.549 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1F ZINC000520279802 854021581 /nfs/dbraw/zinc/02/15/81/854021581.db2.gz XCUUZRNEIOKAFF-UHFFFAOYSA-N -1 3 395.843 3.883 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000163705811 862529948 /nfs/dbraw/zinc/52/99/48/862529948.db2.gz PVSMSKHRNFXTIT-KRWDZBQOSA-N -1 3 376.403 3.561 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccco1 ZINC000473899607 854171519 /nfs/dbraw/zinc/17/15/19/854171519.db2.gz ABXMQLBHMSUHIT-GFCCVEGCSA-N -1 3 376.931 3.664 20 0 GHADHM CCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000520410880 854182446 /nfs/dbraw/zinc/18/24/46/854182446.db2.gz JBYQDLACZLOFSK-LJQANCHMSA-N -1 3 382.460 3.733 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000473900389 854205071 /nfs/dbraw/zinc/20/50/71/854205071.db2.gz BWUVGMKWIDXTHZ-UHFFFAOYSA-N -1 3 379.464 3.595 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000473900389 854205080 /nfs/dbraw/zinc/20/50/80/854205080.db2.gz BWUVGMKWIDXTHZ-UHFFFAOYSA-N -1 3 379.464 3.595 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC000473905300 854215948 /nfs/dbraw/zinc/21/59/48/854215948.db2.gz MIJWRKVLQNGQDL-UHFFFAOYSA-N -1 3 391.475 3.707 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC000473905300 854215957 /nfs/dbraw/zinc/21/59/57/854215957.db2.gz MIJWRKVLQNGQDL-UHFFFAOYSA-N -1 3 391.475 3.707 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928941 854315425 /nfs/dbraw/zinc/31/54/25/854315425.db2.gz RNBAMFFJYZIEQC-JKSUJKDBSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928941 854315431 /nfs/dbraw/zinc/31/54/31/854315431.db2.gz RNBAMFFJYZIEQC-JKSUJKDBSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000473938316 854341711 /nfs/dbraw/zinc/34/17/11/854341711.db2.gz FESZCFPTTCIYPT-UONOGXRCSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000473938316 854341714 /nfs/dbraw/zinc/34/17/14/854341714.db2.gz FESZCFPTTCIYPT-UONOGXRCSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1CCc1ccccc1 ZINC000473939720 854348913 /nfs/dbraw/zinc/34/89/13/854348913.db2.gz JXHRUFLOKDPTMQ-UHFFFAOYSA-N -1 3 383.455 3.828 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1CCc1ccccc1 ZINC000473939720 854348915 /nfs/dbraw/zinc/34/89/15/854348915.db2.gz JXHRUFLOKDPTMQ-UHFFFAOYSA-N -1 3 383.455 3.828 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)c(C)c1 ZINC000481973664 862566755 /nfs/dbraw/zinc/56/67/55/862566755.db2.gz MMJIZWPGUUTEJT-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000330602829 854706385 /nfs/dbraw/zinc/70/63/85/854706385.db2.gz HJTZUMPSFROPQG-ZYHUDNBSSA-N -1 3 376.400 3.618 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)s3)[n-]c(=O)c21 ZINC000070766230 854713768 /nfs/dbraw/zinc/71/37/68/854713768.db2.gz USLRMHHVEMKTIM-UHFFFAOYSA-N -1 3 381.866 3.833 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC000589148519 854723819 /nfs/dbraw/zinc/72/38/19/854723819.db2.gz CAKQNLBVINWIMH-UHFFFAOYSA-N -1 3 375.368 3.746 20 0 GHADHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(F)(F)F ZINC000330706040 854733396 /nfs/dbraw/zinc/73/33/96/854733396.db2.gz LIXVWLPDYHOHHD-AWEZNQCLSA-N -1 3 395.834 3.581 20 0 GHADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000126512733 854866986 /nfs/dbraw/zinc/86/69/86/854866986.db2.gz VPPGASJGAKMLNM-LLVKDONJSA-N -1 3 383.286 3.568 20 0 GHADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(CC)cc1[O-] ZINC000188985756 854983495 /nfs/dbraw/zinc/98/34/95/854983495.db2.gz NUPCCIGNAPACPQ-UHFFFAOYSA-N -1 3 399.878 3.897 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc(OCC(F)(F)F)nc3)cc(=O)oc12 ZINC000056156084 855062378 /nfs/dbraw/zinc/06/23/78/855062378.db2.gz ZUYDJFUEWIKUSL-UHFFFAOYSA-N -1 3 380.322 3.755 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000604971669 862649982 /nfs/dbraw/zinc/64/99/82/862649982.db2.gz JDGJYEPZKJKIPH-UHFFFAOYSA-N -1 3 393.505 3.666 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OCC)cc2)cc1 ZINC000057122433 855226974 /nfs/dbraw/zinc/22/69/74/855226974.db2.gz KQHWHVCOSRSNCO-UHFFFAOYSA-N -1 3 392.477 3.869 20 0 GHADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)C(CC)CC)CC2)c([O-])c1 ZINC000190160087 855288088 /nfs/dbraw/zinc/28/80/88/855288088.db2.gz VRXDFRUNFGXKSF-UHFFFAOYSA-N -1 3 390.524 3.728 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cn(C(C)(C)C)nc3C)nc2)n1 ZINC000130514146 855309673 /nfs/dbraw/zinc/30/96/73/855309673.db2.gz RJVSJINUJVLSGM-ZDUSSCGKSA-N -1 3 380.496 3.827 20 0 GHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000055620527 855361595 /nfs/dbraw/zinc/36/15/95/855361595.db2.gz SAGGZCNZAUXJTM-UHFFFAOYSA-N -1 3 393.679 3.807 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)c(Cl)c1 ZINC000055631705 855362932 /nfs/dbraw/zinc/36/29/32/855362932.db2.gz BPCOBGNLLKGKTC-AWEZNQCLSA-N -1 3 385.844 3.838 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055633162 855363925 /nfs/dbraw/zinc/36/39/25/855363925.db2.gz NBARSOSYRNBUPG-UHFFFAOYSA-N -1 3 393.505 3.666 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000590472728 855416787 /nfs/dbraw/zinc/41/67/87/855416787.db2.gz RWPNBPYERXFMJV-GFCCVEGCSA-N -1 3 390.365 3.820 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000590472728 855416792 /nfs/dbraw/zinc/41/67/92/855416792.db2.gz RWPNBPYERXFMJV-GFCCVEGCSA-N -1 3 390.365 3.820 20 0 GHADHM Cc1cccn2cc(CN3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)nc12 ZINC000590447156 855425351 /nfs/dbraw/zinc/42/53/51/855425351.db2.gz QMFRGASXMWOKCV-UHFFFAOYSA-N -1 3 398.894 3.852 20 0 GHADHM COC(=O)c1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1C ZINC000417563473 855607380 /nfs/dbraw/zinc/60/73/80/855607380.db2.gz DJXSSGYTKNHNOB-HNNXBMFYSA-N -1 3 399.274 3.814 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000520582050 855706294 /nfs/dbraw/zinc/70/62/94/855706294.db2.gz KYWNFSGGFVEKKB-YVWKXTFCSA-N -1 3 386.536 3.833 20 0 GHADHM O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000605021665 862712778 /nfs/dbraw/zinc/71/27/78/862712778.db2.gz IILLPTGSWKLJOP-UHFFFAOYSA-N -1 3 385.470 3.832 20 0 GHADHM CCc1ccc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)s1 ZINC000733090435 862730692 /nfs/dbraw/zinc/73/06/92/862730692.db2.gz GYWKGBRQTCTBGA-UHFFFAOYSA-N -1 3 382.488 3.683 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cs1 ZINC000280879729 862728726 /nfs/dbraw/zinc/72/87/26/862728726.db2.gz DZAUKYCRQRWJJK-MRVPVSSYSA-N -1 3 381.306 3.636 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCCCCO1 ZINC000573184722 855917114 /nfs/dbraw/zinc/91/71/14/855917114.db2.gz VUNRFKFAAVCILC-UHFFFAOYSA-N -1 3 385.645 3.502 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000184066905 855926297 /nfs/dbraw/zinc/92/62/97/855926297.db2.gz WVNJYYPKTKQHRU-TZIWHRDSSA-N -1 3 393.483 3.583 20 0 GHADHM CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000591432757 855964327 /nfs/dbraw/zinc/96/43/27/855964327.db2.gz TYHINFXZIXUDSI-UHFFFAOYSA-N -1 3 385.302 3.912 20 0 GHADHM O=C(N[C@H]1CCc2c1cccc2Br)c1cc(=O)c2ccccc2[n-]1 ZINC000057693177 855995288 /nfs/dbraw/zinc/99/52/88/855995288.db2.gz GWQRFCZYKMIYGN-INIZCTEOSA-N -1 3 383.245 3.708 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000029448168 856046811 /nfs/dbraw/zinc/04/68/11/856046811.db2.gz VIEXMJOOTZWNJT-AWEZNQCLSA-N -1 3 378.469 3.887 20 0 GHADHM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc2)n1 ZINC000441726383 856067634 /nfs/dbraw/zinc/06/76/34/856067634.db2.gz IEFIKQXFVSFFHG-AWEZNQCLSA-N -1 3 397.456 3.702 20 0 GHADHM COc1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(C(F)(F)F)n1 ZINC000671668698 856069044 /nfs/dbraw/zinc/06/90/44/856069044.db2.gz FLNZXDBSLBKQIN-UHFFFAOYSA-N -1 3 394.802 3.747 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436711838 856086099 /nfs/dbraw/zinc/08/60/99/856086099.db2.gz LFTPCJJXPBEVRY-UHFFFAOYSA-N -1 3 379.416 3.741 20 0 GHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC3)c2)cc1 ZINC000030020146 856086889 /nfs/dbraw/zinc/08/68/89/856086889.db2.gz XRUSLMQBTBDOGY-UHFFFAOYSA-N -1 3 386.517 3.984 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cn1 ZINC000509221264 856087721 /nfs/dbraw/zinc/08/77/21/856087721.db2.gz YFPFHSALKCYBFP-CYBMUJFWSA-N -1 3 396.337 3.573 20 0 GHADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485127135 856126607 /nfs/dbraw/zinc/12/66/07/856126607.db2.gz YUXZMOZMBKIIID-UHFFFAOYSA-N -1 3 379.351 3.568 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(-c2ccco2)[nH]c1=O ZINC000485144074 856140118 /nfs/dbraw/zinc/14/01/18/856140118.db2.gz SJCXWUGICGINGB-UHFFFAOYSA-N -1 3 387.355 3.831 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(-c2ccco2)[nH]c1=O ZINC000485144074 856140145 /nfs/dbraw/zinc/14/01/45/856140145.db2.gz SJCXWUGICGINGB-UHFFFAOYSA-N -1 3 387.355 3.831 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000536471895 856167669 /nfs/dbraw/zinc/16/76/69/856167669.db2.gz MRPBVNYQZWGAKN-UHFFFAOYSA-N -1 3 381.427 3.831 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000032054750 856205845 /nfs/dbraw/zinc/20/58/45/856205845.db2.gz IFLRZILGODUUHI-UHFFFAOYSA-N -1 3 390.365 3.500 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000032097707 856209430 /nfs/dbraw/zinc/20/94/30/856209430.db2.gz JYFJCKBXMLQSFW-UHFFFAOYSA-N -1 3 376.453 3.710 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1Br ZINC000032595400 856242608 /nfs/dbraw/zinc/24/26/08/856242608.db2.gz QECXDALOBOXVCT-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1ccc(Br)s1 ZINC000041573390 856317763 /nfs/dbraw/zinc/31/77/63/856317763.db2.gz KGDNGXZBAJLIJH-UHFFFAOYSA-N -1 3 376.272 3.617 20 0 GHADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436782829 856322450 /nfs/dbraw/zinc/32/24/50/856322450.db2.gz DHDDQXXBNWBIQX-UHFFFAOYSA-N -1 3 387.395 3.927 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)n[nH]1 ZINC000042370170 856365018 /nfs/dbraw/zinc/36/50/18/856365018.db2.gz NRMFHUXWOQBIMP-UHFFFAOYSA-N -1 3 381.417 3.758 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000760894903 856374209 /nfs/dbraw/zinc/37/42/09/856374209.db2.gz SGEJCKQIWLFINE-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000550441850 856408258 /nfs/dbraw/zinc/40/82/58/856408258.db2.gz STOAAVCMRUVCSE-UHFFFAOYSA-N -1 3 395.908 3.547 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000485385531 856423353 /nfs/dbraw/zinc/42/33/53/856423353.db2.gz CMRZYGMUTIQOAN-UHFFFAOYSA-N -1 3 386.452 3.906 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000485391478 856432656 /nfs/dbraw/zinc/43/26/56/856432656.db2.gz QORBEWZEUIZDFE-UHFFFAOYSA-N -1 3 396.871 3.789 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(CCC(C)C)C3CCCC3)c(=O)c2c(OC)c1 ZINC000624826799 856439071 /nfs/dbraw/zinc/43/90/71/856439071.db2.gz CHHPEFGMUNVODN-UHFFFAOYSA-N -1 3 386.492 3.976 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)nc1 ZINC000027643905 856453556 /nfs/dbraw/zinc/45/35/56/856453556.db2.gz PRLXYCHIYHFDQS-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000573728610 856457929 /nfs/dbraw/zinc/45/79/29/856457929.db2.gz CPAXTXOTUDFGTN-MRXNPFEDSA-N -1 3 391.471 3.652 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 ZINC000046065776 856465997 /nfs/dbraw/zinc/46/59/97/856465997.db2.gz UMIPCQHRAICWNP-UHFFFAOYSA-N -1 3 398.806 3.813 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000674606296 856483075 /nfs/dbraw/zinc/48/30/75/856483075.db2.gz LMOXPMCGIOJFCT-LJQANCHMSA-N -1 3 396.487 3.951 20 0 GHADHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078497582 856559587 /nfs/dbraw/zinc/55/95/87/856559587.db2.gz TVTRMRVJBIOMAV-UHFFFAOYSA-N -1 3 397.843 3.523 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4F)[nH]c3c2)cn1 ZINC000509207087 862814262 /nfs/dbraw/zinc/81/42/62/862814262.db2.gz AIABKZPPEIUXCH-UHFFFAOYSA-N -1 3 396.447 3.797 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC[C@H]1c1ccco1 ZINC000482230116 862829614 /nfs/dbraw/zinc/82/96/14/862829614.db2.gz IARUIYGDPSQTLB-AWEZNQCLSA-N -1 3 389.253 3.871 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c2)c1 ZINC000592312652 856774703 /nfs/dbraw/zinc/77/47/03/856774703.db2.gz RDCSFJIEVBZQSS-UHFFFAOYSA-N -1 3 398.466 3.962 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482236127 862841708 /nfs/dbraw/zinc/84/17/08/862841708.db2.gz BBJNHXYSYSGFCO-UHFFFAOYSA-N -1 3 397.184 3.606 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@@H](C(C)(C)C)CC3)c(=O)c2c(OC)c1 ZINC000625682919 862848391 /nfs/dbraw/zinc/84/83/91/862848391.db2.gz ZUTMNDMJAMPNTP-CQSZACIVSA-N -1 3 386.492 3.834 20 0 GHADHM CCCCc1nc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c(C(=O)OCC)[n-]1 ZINC000485671528 856910172 /nfs/dbraw/zinc/91/01/72/856910172.db2.gz SSJBXYNXOHNTFZ-GJZGRUSLSA-N -1 3 379.501 3.709 20 0 GHADHM NC(=O)c1cc([N-]C(=O)c2scnc2C(F)(F)F)c(Cl)cc1Cl ZINC001128892424 856927120 /nfs/dbraw/zinc/92/71/20/856927120.db2.gz QWVKBZYTAPKJDU-UHFFFAOYSA-N -1 3 384.166 3.820 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1Oc1ccccc1 ZINC000046851520 856937501 /nfs/dbraw/zinc/93/75/01/856937501.db2.gz DNHOYHFOGMKRBC-UHFFFAOYSA-N -1 3 391.427 3.736 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H]4CCC[C@H]4C3)nc(=O)c2c1C ZINC000253552415 857023513 /nfs/dbraw/zinc/02/35/13/857023513.db2.gz JAHJTGPHFGSGFH-AVGNSLFASA-N -1 3 375.494 3.675 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C(C)=O)c(C)nc3C)c2)n1 ZINC000485764712 857073533 /nfs/dbraw/zinc/07/35/33/857073533.db2.gz BVZKJLYQAAYSDH-UHFFFAOYSA-N -1 3 390.443 3.878 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000508246342 857099101 /nfs/dbraw/zinc/09/91/01/857099101.db2.gz CZSSZPMUUNADQA-LBPRGKRZSA-N -1 3 383.473 3.953 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)(F)F ZINC000476578797 857104033 /nfs/dbraw/zinc/10/40/33/857104033.db2.gz UHBNJEUKWPJSPE-LURJTMIESA-N -1 3 380.613 3.579 20 0 GHADHM COc1cccc([C@H]2C[C@@H]2C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000592863799 857114173 /nfs/dbraw/zinc/11/41/73/857114173.db2.gz XUIKKKLIKWZUNQ-CVEARBPZSA-N -1 3 397.862 3.911 20 0 GHADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064374097 857137688 /nfs/dbraw/zinc/13/76/88/857137688.db2.gz LRVDXSDEDOXLTL-UHFFFAOYSA-N -1 3 379.464 3.566 20 0 GHADHM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000064381316 857139414 /nfs/dbraw/zinc/13/94/14/857139414.db2.gz QYEPOBPLTAGCBX-UHFFFAOYSA-N -1 3 396.534 3.564 20 0 GHADHM Cc1ccc([O-])c(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000482277729 862878400 /nfs/dbraw/zinc/87/84/00/862878400.db2.gz MRSMVJCASPWCAG-KRWDZBQOSA-N -1 3 381.245 3.571 20 0 GHADHM COC(=O)c1c(CN2CC[C@H](C(=O)[O-])C2)nc2ccccc2c1-c1ccccc1 ZINC000592988148 857175926 /nfs/dbraw/zinc/17/59/26/857175926.db2.gz OQUUWSGDKVDJBV-INIZCTEOSA-N -1 3 390.439 3.595 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000181446722 862882000 /nfs/dbraw/zinc/88/20/00/862882000.db2.gz CCCXOEGCIATUJZ-UHFFFAOYSA-N -1 3 377.265 3.664 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2c3ccccc3oc2C(N)=O)cs1 ZINC000058641258 857202823 /nfs/dbraw/zinc/20/28/23/857202823.db2.gz AUIUZUZMZDTHPO-UHFFFAOYSA-N -1 3 393.424 3.916 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)ccc2[nH]1 ZINC000574073155 857211963 /nfs/dbraw/zinc/21/19/63/857211963.db2.gz IALBLTACYFCNFF-UHFFFAOYSA-N -1 3 393.424 3.516 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000672379512 857230482 /nfs/dbraw/zinc/23/04/82/857230482.db2.gz AWUMOWUJSNMSHB-DGCLKSJQSA-N -1 3 375.343 3.559 20 0 GHADHM COc1cc(C(=O)NCCCc2cccc(C(F)(F)F)c2)cc(OC)c1[O-] ZINC000485967676 857261385 /nfs/dbraw/zinc/26/13/85/857261385.db2.gz PHEYFUZIMTVIQC-UHFFFAOYSA-N -1 3 383.366 3.791 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(C(=O)OC)cc1 ZINC001128997332 857338198 /nfs/dbraw/zinc/33/81/98/857338198.db2.gz SOPAZDNINRJAOY-UHFFFAOYSA-N -1 3 394.383 3.557 20 0 GHADHM COCCn1ccc2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc21 ZINC000181491001 862900513 /nfs/dbraw/zinc/90/05/13/862900513.db2.gz UVNHORROXXOZMF-UHFFFAOYSA-N -1 3 393.418 3.829 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(F)cc3ccncc32)c(C(=O)OCC)[n-]1 ZINC000593138967 857362132 /nfs/dbraw/zinc/36/21/32/857362132.db2.gz FHUPPXBAURHZTB-UHFFFAOYSA-N -1 3 384.411 3.869 20 0 GHADHM COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)c(Br)c1[O-] ZINC000761013848 857381441 /nfs/dbraw/zinc/38/14/41/857381441.db2.gz CAMGQIJXVZMDPP-UKTHLTGXSA-N -1 3 388.217 3.816 20 0 GHADHM O=C(N[C@H]1CCCC1(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000672495308 857404508 /nfs/dbraw/zinc/40/45/08/857404508.db2.gz MQRHBEDHPNYRED-INIZCTEOSA-N -1 3 398.406 3.544 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)c(OC)c1 ZINC000061212227 857505357 /nfs/dbraw/zinc/50/53/57/857505357.db2.gz VCKOLHDCGHXKQB-LJQANCHMSA-N -1 3 378.428 3.523 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000521042841 857533573 /nfs/dbraw/zinc/53/35/73/857533573.db2.gz UPWZHJXMWQPNIN-YADHBBJMSA-N -1 3 394.515 3.534 20 0 GHADHM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000130709709 857534444 /nfs/dbraw/zinc/53/44/44/857534444.db2.gz MLTMLXXJLNAJCF-AVRDEDQJSA-N -1 3 383.513 3.768 20 0 GHADHM CCOC(=O)c1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)oc1C ZINC001128286650 857539347 /nfs/dbraw/zinc/53/93/47/857539347.db2.gz STOQFPGSSFKRAR-UHFFFAOYSA-N -1 3 375.768 3.720 20 0 GHADHM CCCc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000062270167 857563714 /nfs/dbraw/zinc/56/37/14/857563714.db2.gz YNDMQJVUWRFPAZ-UHFFFAOYSA-N -1 3 376.478 3.662 20 0 GHADHM O=C(NCCc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000675769801 857602810 /nfs/dbraw/zinc/60/28/10/857602810.db2.gz ILCZBPYAJLFOKO-UHFFFAOYSA-N -1 3 385.423 3.601 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181589478 862932461 /nfs/dbraw/zinc/93/24/61/862932461.db2.gz WMTVDCCMUPSNDL-IRXDYDNUSA-N -1 3 387.835 3.568 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000063803278 857661048 /nfs/dbraw/zinc/66/10/48/857661048.db2.gz CLVYVMXULOSREV-UHFFFAOYSA-N -1 3 394.805 3.815 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000181601074 862936319 /nfs/dbraw/zinc/93/63/19/862936319.db2.gz RVDPAGIZLVHGMB-RISCZKNCSA-N -1 3 378.302 3.863 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)cc1Cl ZINC000062071638 862937941 /nfs/dbraw/zinc/93/79/41/862937941.db2.gz NGQMTEVGDAEFQI-AWEZNQCLSA-N -1 3 380.897 3.674 20 0 GHADHM CN(Cc1ccc(Br)cc1Cl)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907700703 857738778 /nfs/dbraw/zinc/73/87/78/857738778.db2.gz ZGHCFEOBVSXKPQ-UHFFFAOYSA-N -1 3 396.672 3.748 20 0 GHADHM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1nnc2ccccc2c1[O-] ZINC000804127261 857809447 /nfs/dbraw/zinc/80/94/47/857809447.db2.gz VZOYMIRLMSULLK-GOSISDBHSA-N -1 3 397.862 3.887 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)oc21 ZINC000065771292 857847859 /nfs/dbraw/zinc/84/78/59/857847859.db2.gz CVXRIFXZLSYTIU-NSHDSACASA-N -1 3 393.399 3.598 20 0 GHADHM Cn1nccc1[C@@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907956814 857861378 /nfs/dbraw/zinc/86/13/78/857861378.db2.gz IQFLTLUWEOWXEW-ZDUSSCGKSA-N -1 3 391.497 3.591 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000486568191 857870542 /nfs/dbraw/zinc/87/05/42/857870542.db2.gz ZFVFGEQMZSUHPF-PWSUYJOCSA-N -1 3 385.835 3.996 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000066403780 857928608 /nfs/dbraw/zinc/92/86/08/857928608.db2.gz RKUMZFQBPDHXLJ-INIZCTEOSA-N -1 3 397.475 3.559 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000442595660 857987414 /nfs/dbraw/zinc/98/74/14/857987414.db2.gz SPNMMQUECASGRY-ZDUSSCGKSA-N -1 3 381.402 3.727 20 0 GHADHM Cn1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c(C2CC2)n1 ZINC000486735535 858025974 /nfs/dbraw/zinc/02/59/74/858025974.db2.gz HBLKSXVBTWELJU-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000574507571 858061638 /nfs/dbraw/zinc/06/16/38/858061638.db2.gz ZFQAJYXCEVBJCI-UHFFFAOYSA-N -1 3 389.434 3.567 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(C)c1 ZINC000574518293 858067263 /nfs/dbraw/zinc/06/72/63/858067263.db2.gz AQZULLYIIBQNOB-RLLQIKCJSA-N -1 3 380.488 3.739 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cnccc1C(F)(F)F ZINC000442754017 858112108 /nfs/dbraw/zinc/11/21/08/858112108.db2.gz WTXFGRLFIADCBW-KRWDZBQOSA-N -1 3 393.390 3.563 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(F)cc(F)cc1F ZINC000158032397 858163403 /nfs/dbraw/zinc/16/34/03/858163403.db2.gz ZKYGINOGPBNVIB-AWEZNQCLSA-N -1 3 398.812 3.857 20 0 GHADHM Cc1nc(C)c(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000594798880 858289824 /nfs/dbraw/zinc/28/98/24/858289824.db2.gz QIAUBXHCCULFCX-UHFFFAOYSA-N -1 3 383.477 3.595 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc(F)c1F ZINC000158096843 858330195 /nfs/dbraw/zinc/33/01/95/858330195.db2.gz DXKPJYUEQVCDBH-CQSZACIVSA-N -1 3 380.822 3.718 20 0 GHADHM O=C([N-]C12CC(C(=O)Nc3ccc4cnccc4c3)(C1)C2)C(Cl)(Cl)Cl ZINC001271272881 863011505 /nfs/dbraw/zinc/01/15/05/863011505.db2.gz ZSUQHOSBHTVSOL-UHFFFAOYSA-N -1 3 398.677 3.582 20 0 GHADHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C ZINC000521836109 858374139 /nfs/dbraw/zinc/37/41/39/858374139.db2.gz RJYIKXHGPLYTKA-OAHLLOKOSA-N -1 3 391.480 3.800 20 0 GHADHM CCOc1cc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)cc(Br)c1[O-] ZINC000443100086 858378298 /nfs/dbraw/zinc/37/82/98/858378298.db2.gz WHNHLHJBUHEDLZ-GHMZBOCLSA-N -1 3 396.285 3.976 20 0 GHADHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443310767 858552737 /nfs/dbraw/zinc/55/27/37/858552737.db2.gz PUPKQXOADYEEMU-RISCZKNCSA-N -1 3 388.942 3.539 20 0 GHADHM O=C([O-])c1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000575196998 858601462 /nfs/dbraw/zinc/60/14/62/858601462.db2.gz BIOGBZFLCVSBGJ-OAHLLOKOSA-N -1 3 375.362 3.705 20 0 GHADHM CCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCCC1 ZINC000522135473 858654548 /nfs/dbraw/zinc/65/45/48/858654548.db2.gz COXNQPSJASDYPQ-HXUWFJFHSA-N -1 3 396.535 3.938 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccccc1Br ZINC000028782311 858688467 /nfs/dbraw/zinc/68/84/67/858688467.db2.gz XXXOPKLRWSCMPE-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)cc1F ZINC000543170586 858715244 /nfs/dbraw/zinc/71/52/44/858715244.db2.gz ZTLPRLSAZTVSJW-AWEZNQCLSA-N -1 3 399.312 3.694 20 0 GHADHM CC(C)(CNCc1cc(Cl)ccc1I)CC(=O)[O-] ZINC000596022775 858745320 /nfs/dbraw/zinc/74/53/20/858745320.db2.gz WQBYHSPYMJPXDM-UHFFFAOYSA-N -1 3 381.641 3.535 20 0 GHADHM COc1cc(C(=O)[N-]c2ncc(-c3ccc(Br)cc3)s2)on1 ZINC000673358325 858791536 /nfs/dbraw/zinc/79/15/36/858791536.db2.gz VRGBCMKGHKBZJU-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c1Cl ZINC000443488898 858821676 /nfs/dbraw/zinc/82/16/76/858821676.db2.gz SFOPZEQCRSTANN-TZMCWYRMSA-N -1 3 380.337 3.911 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2cc(C(F)(F)F)ccc2Cl)n[n-]1 ZINC000895234222 858825323 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O=S(=O)([N-]CCC[C@H]1CC1(Cl)Cl)c1cnc(Cl)c(Cl)c1 ZINC001212349682 860008144 /nfs/dbraw/zinc/00/81/44/860008144.db2.gz BWFHQNWZEYSHQQ-ZETCQYMHSA-N -1 3 378.108 3.641 20 0 GHADHM COc1ccc(OCc2nc(CN[C@H](CC(=O)[O-])C3CCCC3)cs2)cc1 ZINC000904040379 860058819 /nfs/dbraw/zinc/05/88/19/860058819.db2.gz CRYBHGHCLGTITC-GOSISDBHSA-N -1 3 390.505 3.854 20 0 GHADHM CCOCC[C@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000904067603 860090508 /nfs/dbraw/zinc/09/05/08/860090508.db2.gz IHBYJATVUVITCS-LBPRGKRZSA-N -1 3 386.926 3.917 20 0 GHADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1Cl ZINC000014210057 860093147 /nfs/dbraw/zinc/09/31/47/860093147.db2.gz RQURRJGISIKXJH-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000484571123 860125438 /nfs/dbraw/zinc/12/54/38/860125438.db2.gz NESKBUDKQUSSLE-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM COc1ccc(F)c(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c1 ZINC000526930685 860163357 /nfs/dbraw/zinc/16/33/57/860163357.db2.gz 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20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000494364919 881595737 /nfs/dbraw/zinc/59/57/37/881595737.db2.gz IHOSBNZMPBULTJ-UHFFFAOYSA-N -1 3 378.476 3.845 20 0 GHADHM O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1cc([O-])ccc1Cl ZINC000499211356 881596183 /nfs/dbraw/zinc/59/61/83/881596183.db2.gz KJEHOZWQGJCECN-UHFFFAOYSA-N -1 3 381.259 3.784 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c(F)c2)cc1 ZINC000730213475 860941930 /nfs/dbraw/zinc/94/19/30/860941930.db2.gz MIQFGARMJBXNQM-UHFFFAOYSA-N -1 3 380.301 3.891 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c(F)c2)cc1 ZINC000730213475 860941944 /nfs/dbraw/zinc/94/19/44/860941944.db2.gz MIQFGARMJBXNQM-UHFFFAOYSA-N -1 3 380.301 3.891 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)c(F)c2)cc1 ZINC000730347855 861039061 /nfs/dbraw/zinc/03/90/61/861039061.db2.gz ZLWIPPNCVYENFG-UHFFFAOYSA-N -1 3 397.427 3.976 20 0 GHADHM Cc1cccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])c1C ZINC000730364367 861075502 /nfs/dbraw/zinc/07/55/02/861075502.db2.gz DXVGQQNFMNDSBZ-UHFFFAOYSA-N -1 3 378.222 3.567 20 0 GHADHM O=C(OCc1nc(-c2ccccc2)no1)c1cccc(Br)c1[O-] ZINC000730366371 861077753 /nfs/dbraw/zinc/07/77/53/861077753.db2.gz VOUNVHPRWOUWIF-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000481338263 861106681 /nfs/dbraw/zinc/10/66/81/861106681.db2.gz JYYZIRPYEFAUOC-OCCSQVGLSA-N -1 3 399.559 3.640 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1C ZINC000733894999 863322533 /nfs/dbraw/zinc/32/25/33/863322533.db2.gz MQCNLYSROXOFIB-GOSISDBHSA-N -1 3 390.483 3.924 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000182730899 863340901 /nfs/dbraw/zinc/34/09/01/863340901.db2.gz YDXTWDHQIXTVIM-UHFFFAOYSA-N -1 3 375.363 3.602 20 0 GHADHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000532273719 881651292 /nfs/dbraw/zinc/65/12/92/881651292.db2.gz OCIMGIFBGYSXGB-LBPRGKRZSA-N -1 3 390.277 3.727 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)ccc1F ZINC000444194513 863640608 /nfs/dbraw/zinc/64/06/08/863640608.db2.gz JTGSUHPFKCFVIH-IYBDPMFKSA-N -1 3 392.496 3.544 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCCO4)cc(Cl)c2O1 ZINC000522882394 863648800 /nfs/dbraw/zinc/64/88/00/863648800.db2.gz ZWPDSNSADUEQFY-NSHDSACASA-N -1 3 379.865 3.789 20 0 GHADHM Cc1nn(-c2ccccc2)c2nc(C(=O)NCc3ccc([O-])c(F)c3)ccc12 ZINC000606537069 863695156 /nfs/dbraw/zinc/69/51/56/863695156.db2.gz DOINFWQIKHVXGG-UHFFFAOYSA-N -1 3 376.391 3.504 20 0 GHADHM O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000606537079 863695286 /nfs/dbraw/zinc/69/52/86/863695286.db2.gz HOWLPNAMGRCJMJ-UHFFFAOYSA-N -1 3 389.430 3.788 20 0 GHADHM COc1ccc(Oc2cc(CNC(=O)NCc3ccc([O-])c(F)c3)ccn2)cc1 ZINC000606636980 863727404 /nfs/dbraw/zinc/72/74/04/863727404.db2.gz NDUSVUQLDWFJQI-UHFFFAOYSA-N -1 3 397.406 3.727 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000606659597 863750749 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O=C([N-]c1nnc(CC2CCCCC2)s1)c1cn(Cc2ccccc2)nn1 ZINC000103420954 863977734 /nfs/dbraw/zinc/97/77/34/863977734.db2.gz RKKMIDHBPRULMU-UHFFFAOYSA-N -1 3 382.493 3.553 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856753401 881721661 /nfs/dbraw/zinc/72/16/61/881721661.db2.gz YYSCKCDDVNRYHR-SNVBAGLBSA-N -1 3 384.712 3.795 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC1(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000621305368 864079312 /nfs/dbraw/zinc/07/93/12/864079312.db2.gz WURBYXBTEFLLMG-ZETCQYMHSA-N -1 3 379.734 3.562 20 0 GHADHM Cn1ncc2c1nc(SCc1cc(Cl)ccc1OCC1CC1)[n-]c2=O ZINC000629220681 864140439 /nfs/dbraw/zinc/14/04/39/864140439.db2.gz OYICXLWPIVKUCP-UHFFFAOYSA-N -1 3 376.869 3.803 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)CCc2ccc(OC(F)F)cc2)[nH][n-]1 ZINC000621654512 864349954 /nfs/dbraw/zinc/34/99/54/864349954.db2.gz DRLMPPOZESAQQK-UHFFFAOYSA-N -1 3 387.386 3.680 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@H](C)c3ccco3)no2)cc1 ZINC000621798769 864441272 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O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1nnc2ccccc2c1[O-] ZINC000735651001 864903371 /nfs/dbraw/zinc/90/33/71/864903371.db2.gz XEPMHGNZGFVHPU-UHFFFAOYSA-N -1 3 385.427 3.857 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000184967688 865082304 /nfs/dbraw/zinc/08/23/04/865082304.db2.gz CMTHORZBNZHBBD-NRFANRHFSA-N -1 3 380.419 3.731 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000736053336 865131613 /nfs/dbraw/zinc/13/16/13/865131613.db2.gz SKJOHZIKTBESOJ-CYBMUJFWSA-N -1 3 386.533 3.847 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736700117 865262164 /nfs/dbraw/zinc/26/21/64/865262164.db2.gz QMMDXBXDUAZKQW-LLVKDONJSA-N -1 3 387.538 3.584 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000736700117 865262181 /nfs/dbraw/zinc/26/21/81/865262181.db2.gz QMMDXBXDUAZKQW-LLVKDONJSA-N -1 3 387.538 3.584 20 0 GHADHM O=C(Nc1c([O-])cccc1F)[C@H]1CCC[C@H](C(=O)Nc2c(O)cccc2F)C1 ZINC000608367032 865265028 /nfs/dbraw/zinc/26/50/28/865265028.db2.gz RUCSASXSGXULSJ-RYUDHWBXSA-N -1 3 390.386 3.760 20 0 GHADHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000480829621 865337377 /nfs/dbraw/zinc/33/73/77/865337377.db2.gz OAEHIMKOKYGOGN-ZDUSSCGKSA-N -1 3 388.320 3.607 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000133031175 881875214 /nfs/dbraw/zinc/87/52/14/881875214.db2.gz VLSZDEDKZKKUFX-UHFFFAOYSA-N -1 3 375.226 3.950 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccnc1Cl ZINC000738367866 865531077 /nfs/dbraw/zinc/53/10/77/865531077.db2.gz ZDRQBKMFCDJABU-ZYHUDNBSSA-N -1 3 376.787 3.588 20 0 GHADHM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000738553548 865554442 /nfs/dbraw/zinc/55/44/42/865554442.db2.gz RHFPGTDWFAHAAR-CQSZACIVSA-N -1 3 382.460 3.583 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1c(Cl)nc2sccn21 ZINC000325002926 865663789 /nfs/dbraw/zinc/66/37/89/865663789.db2.gz ZSDJAZRJCDNVQP-UHFFFAOYSA-N -1 3 395.815 3.547 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1C[C@@H](C)C[C@H](C)C1 ZINC000739980340 865819305 /nfs/dbraw/zinc/81/93/05/865819305.db2.gz TWMCENIGODSCEX-UWVGGRQHSA-N -1 3 394.306 3.700 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)nc2)n1 ZINC000302524597 865834995 /nfs/dbraw/zinc/83/49/95/865834995.db2.gz JRYVIOAXAZQIHC-FZKQIMNGSA-N -1 3 396.413 3.702 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000174883607 865952085 /nfs/dbraw/zinc/95/20/85/865952085.db2.gz RKOHWEJXFBVLOS-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1cc(F)ccc1Br ZINC000476552979 881940594 /nfs/dbraw/zinc/94/05/94/881940594.db2.gz UQZPWPOIUDGRKZ-UHFFFAOYSA-N -1 3 384.270 3.642 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000534165763 866216646 /nfs/dbraw/zinc/21/66/46/866216646.db2.gz NIYVWXDOCGRIER-UHFFFAOYSA-N -1 3 386.315 3.953 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(-c2cccnc2)s1 ZINC000534180178 866240046 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392.249 3.759 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1N1CCSCC1 ZINC000741652914 866696086 /nfs/dbraw/zinc/69/60/86/866696086.db2.gz IQPOBUPENPGWRT-UHFFFAOYSA-N -1 3 399.541 3.897 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000741749805 866772639 /nfs/dbraw/zinc/77/26/39/866772639.db2.gz SAQDHQZDWUTCKV-AWEZNQCLSA-N -1 3 388.489 3.626 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000741749807 866773005 /nfs/dbraw/zinc/77/30/05/866773005.db2.gz SAQDHQZDWUTCKV-CQSZACIVSA-N -1 3 388.489 3.626 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000523178052 866847820 /nfs/dbraw/zinc/84/78/20/866847820.db2.gz ZFPPWEAUEWGGEV-UHFFFAOYSA-N -1 3 392.434 3.773 20 0 GHADHM O=C(CCC(=O)N1CCSc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000153559318 866949446 /nfs/dbraw/zinc/94/94/46/866949446.db2.gz GYNXLSIOIPQYQF-UHFFFAOYSA-N -1 3 376.865 3.903 20 0 GHADHM O=C1CN(CCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479036617 867050827 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/nfs/dbraw/zinc/57/97/08/869579708.db2.gz CPOUTUMQHMZDSL-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCCOc2cccc(Cl)c2)cc1[O-] ZINC000745654614 869723653 /nfs/dbraw/zinc/72/36/53/869723653.db2.gz YGLTZMLWGNSXSY-UHFFFAOYSA-N -1 3 379.796 3.850 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000745938145 869898087 /nfs/dbraw/zinc/89/80/87/869898087.db2.gz XZGQKBXNIISMPF-UHFFFAOYSA-N -1 3 397.324 3.575 20 0 GHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000737588598 869938112 /nfs/dbraw/zinc/93/81/12/869938112.db2.gz JGUIODUHTABLOP-PBHICJAKSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000446516905 869945031 /nfs/dbraw/zinc/94/50/31/869945031.db2.gz ARLBOSZSGWFMFP-INIZCTEOSA-N -1 3 390.480 3.745 20 0 GHADHM CCc1cc2c(CN(CC(=O)OC(C)(C)C)C(C)C)cc(=O)oc2cc1[O-] ZINC001192261867 870245840 /nfs/dbraw/zinc/24/58/40/870245840.db2.gz LEUUZGQJTYGILF-UHFFFAOYSA-N -1 3 375.465 3.613 20 0 GHADHM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cc2)n1 ZINC000540041435 870286939 /nfs/dbraw/zinc/28/69/39/870286939.db2.gz LMYMKGIFQSGTCR-UHFFFAOYSA-N -1 3 397.456 3.703 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(F)c1Br ZINC001192356649 870316151 /nfs/dbraw/zinc/31/61/51/870316151.db2.gz VRRXUKWTRSRIIK-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000538747870 870559374 /nfs/dbraw/zinc/55/93/74/870559374.db2.gz DGLSLVZAZUCWSN-GOSISDBHSA-N -1 3 381.476 3.771 20 0 GHADHM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000746401521 870613411 /nfs/dbraw/zinc/61/34/11/870613411.db2.gz WROLFDOTUKXCJB-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000746401521 870613416 /nfs/dbraw/zinc/61/34/16/870613416.db2.gz WROLFDOTUKXCJB-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461633518 870629162 /nfs/dbraw/zinc/62/91/62/870629162.db2.gz VVUDZIOCKBNGED-UHFFFAOYSA-N -1 3 396.491 3.601 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001192760115 870676702 /nfs/dbraw/zinc/67/67/02/870676702.db2.gz BSXPSVZBIFITHR-AWEZNQCLSA-N -1 3 396.365 3.707 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)c(F)cc1Br ZINC001192894587 870750821 /nfs/dbraw/zinc/75/08/21/870750821.db2.gz BLERIZMHLBPMPK-GRYCIOLGSA-N -1 3 376.291 3.611 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2OC(F)(F)F)c1cnccc1Cl ZINC001192913554 870766720 /nfs/dbraw/zinc/76/67/20/870766720.db2.gz VUFPDMBHBUKHEN-LBPRGKRZSA-N -1 3 392.786 3.599 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(C(F)(F)F)c1)C1CC1)c1cnccc1Cl ZINC001192925693 870791058 /nfs/dbraw/zinc/79/10/58/870791058.db2.gz XMSUSEMUPMCJRO-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2)cc1 ZINC001193058669 870881771 /nfs/dbraw/zinc/88/17/71/870881771.db2.gz JSNTUWUNNWSZRD-UHFFFAOYSA-N -1 3 381.425 3.701 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1C ZINC000525531592 870906376 /nfs/dbraw/zinc/90/63/76/870906376.db2.gz DHIAUJFAJMRLJD-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)c([O-])c1 ZINC000538926336 870938524 /nfs/dbraw/zinc/93/85/24/870938524.db2.gz GUYNZWDFDGNSBL-UHFFFAOYSA-N -1 3 392.411 3.897 20 0 GHADHM COC(=O)c1nc2ccc(NCc3ccccc3OCc3ccccc3)nc2[n-]1 ZINC001168944755 871031403 /nfs/dbraw/zinc/03/14/03/871031403.db2.gz DFZZAWWSRPQAGH-UHFFFAOYSA-N -1 3 388.427 3.936 20 0 GHADHM COC(=O)c1nc2nc(NCc3ccccc3OCc3ccccc3)ccc2[n-]1 ZINC001168944755 871031425 /nfs/dbraw/zinc/03/14/25/871031425.db2.gz DFZZAWWSRPQAGH-UHFFFAOYSA-N -1 3 388.427 3.936 20 0 GHADHM COC(=O)c1nc2ccc(NCc3ccccc3OCc3ccccc3)[n-]c-2n1 ZINC001168944755 871031435 /nfs/dbraw/zinc/03/14/35/871031435.db2.gz DFZZAWWSRPQAGH-UHFFFAOYSA-N -1 3 388.427 3.936 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2Cl)c1Cl ZINC001193353216 871039782 /nfs/dbraw/zinc/03/97/82/871039782.db2.gz XDTYSGGCVILMRP-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001193452528 871094365 /nfs/dbraw/zinc/09/43/65/871094365.db2.gz GJPVELUBBYLCEV-CYBMUJFWSA-N -1 3 393.447 3.564 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001193452528 871094374 /nfs/dbraw/zinc/09/43/74/871094374.db2.gz GJPVELUBBYLCEV-CYBMUJFWSA-N -1 3 393.447 3.564 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@]23C[C@H]2CCCC3)cc1Cl ZINC001193547425 871144922 /nfs/dbraw/zinc/14/49/22/871144922.db2.gz IFNFWTWQUVZTJU-HSOHIQCKSA-N -1 3 388.892 3.685 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@@H](C(C)C)c3ccccc32)c1 ZINC001193518047 871156315 /nfs/dbraw/zinc/15/63/15/871156315.db2.gz UVEPQZVZKTYYPR-HOTGVXAUSA-N -1 3 379.503 3.698 20 0 GHADHM COc1ccc(NC(=O)c2ccc(NC(=O)c3c(C)cc(O)cc3[O-])cc2)cc1 ZINC001193936055 871380866 /nfs/dbraw/zinc/38/08/66/871380866.db2.gz ITIDCHMJDAODCE-UHFFFAOYSA-N -1 3 392.411 3.919 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC001193894343 871383210 /nfs/dbraw/zinc/38/32/10/871383210.db2.gz RDEOMSDMPQOENR-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC001193894343 871383227 /nfs/dbraw/zinc/38/32/27/871383227.db2.gz RDEOMSDMPQOENR-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM CCc1nc2cc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)ccc2o1 ZINC000540514085 871461922 /nfs/dbraw/zinc/46/19/22/871461922.db2.gz SSDRUOLKYDBGJS-UHFFFAOYSA-N -1 3 381.363 3.632 20 0 GHADHM Cn1cnc([N-]C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c2ncnc1-2 ZINC001194230163 871540569 /nfs/dbraw/zinc/54/05/69/871540569.db2.gz ZEBYIHVTSMFMTR-UHFFFAOYSA-N -1 3 387.321 3.846 20 0 GHADHM CC[C@@]1(C)Oc2ccc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)cc2O1 ZINC000540567835 871566852 /nfs/dbraw/zinc/56/68/52/871566852.db2.gz VGQCNLWGFONFDS-NRFANRHFSA-N -1 3 398.390 3.826 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CC34CCC(CC3)C4)n2)ccc1F ZINC000462113312 871634148 /nfs/dbraw/zinc/63/41/48/871634148.db2.gz SGBMCMWXEMDAMI-CDJWAVJASA-N -1 3 393.484 3.745 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)sc1Br ZINC000150131897 871657019 /nfs/dbraw/zinc/65/70/19/871657019.db2.gz MQNZPZIDOBMRSL-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2ncc(Cl)s2)c(-c2ccccc2)s1 ZINC001194400193 871673573 /nfs/dbraw/zinc/67/35/73/871673573.db2.gz DHKPWRDTOCPYIH-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM COC(=O)CCCOc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525923258 871703202 /nfs/dbraw/zinc/70/32/02/871703202.db2.gz YCQFMVQRDMWNMT-UHFFFAOYSA-N -1 3 393.439 3.807 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1 ZINC000539323366 871736453 /nfs/dbraw/zinc/73/64/53/871736453.db2.gz BCTXAFHHVHVATD-UHFFFAOYSA-N -1 3 377.444 3.807 20 0 GHADHM O=S(=O)([N-]Cc1nc2c(s1)CCCC2)c1csc(-c2ccccc2)n1 ZINC001194563902 871763220 /nfs/dbraw/zinc/76/32/20/871763220.db2.gz CFCWMVQKCGHDMN-UHFFFAOYSA-N -1 3 391.543 3.624 20 0 GHADHM COC(=O)CCc1nnc([N-]C(=O)c2sc(C3CCCCC3)nc2C)s1 ZINC000539353801 871790718 /nfs/dbraw/zinc/79/07/18/871790718.db2.gz DPTZHBCQSIZSIB-UHFFFAOYSA-N -1 3 394.522 3.709 20 0 GHADHM O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1c([O-])cccc1O ZINC000447554123 871844292 /nfs/dbraw/zinc/84/42/92/871844292.db2.gz UHUOVKHGJHKBAZ-UHFFFAOYSA-N -1 3 379.368 3.658 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C)[C@H](C)C3)nc(=O)c2c1C ZINC000253556553 871881382 /nfs/dbraw/zinc/88/13/82/871881382.db2.gz UYEVVKDKTVWHNV-WZRBSPASSA-N -1 3 377.510 3.921 20 0 GHADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000552043746 871923910 /nfs/dbraw/zinc/92/39/10/871923910.db2.gz GMOPFYKJZAFYRT-UHFFFAOYSA-N -1 3 388.225 3.660 20 0 GHADHM O=C([N-]c1nnc(C2CC2)s1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000552065033 871967357 /nfs/dbraw/zinc/96/73/57/871967357.db2.gz YYAJUMQSMLDKHL-UHFFFAOYSA-N -1 3 379.367 3.872 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(N4CCCCC4=O)c3)c[n-]c12 ZINC000163055824 872094815 /nfs/dbraw/zinc/09/48/15/872094815.db2.gz PVFSHBPPCZSZKW-UHFFFAOYSA-N -1 3 393.418 3.745 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1NC(C)C ZINC000618876635 872105626 /nfs/dbraw/zinc/10/56/26/872105626.db2.gz WGWBXOAFZTWBES-UHFFFAOYSA-N -1 3 391.475 3.532 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2c1cccc2[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195071583 872152949 /nfs/dbraw/zinc/15/29/49/872152949.db2.gz CFAAEYURXUILPI-UHFFFAOYSA-N -1 3 397.573 3.899 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ncc(Br)s2)c([O-])c1 ZINC001195071380 872153093 /nfs/dbraw/zinc/15/30/93/872153093.db2.gz XTVCCTJFIFNBBG-UHFFFAOYSA-N -1 3 399.266 3.819 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)[n-]1 ZINC000618919290 872158614 /nfs/dbraw/zinc/15/86/14/872158614.db2.gz GDWJVAPIIGGAEZ-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c[n-]1 ZINC000618919290 872158624 /nfs/dbraw/zinc/15/86/24/872158624.db2.gz GDWJVAPIIGGAEZ-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000447741953 872230175 /nfs/dbraw/zinc/23/01/75/872230175.db2.gz BKCAUBJGNRWFGE-UHFFFAOYSA-N -1 3 376.859 3.575 20 0 GHADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1F ZINC000767080175 872237605 /nfs/dbraw/zinc/23/76/05/872237605.db2.gz IKCHRYAGWAKKIF-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(Br)n1 ZINC001195271711 872297297 /nfs/dbraw/zinc/29/72/97/872297297.db2.gz PSZIJCWHPLAFER-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1ccc(NCC2CCC(C(F)(F)F)CC2)cc1[N-]S(C)(=O)=O ZINC000767184091 872314323 /nfs/dbraw/zinc/31/43/23/872314323.db2.gz OJWHIPHSJHNWGY-UHFFFAOYSA-N -1 3 380.432 3.847 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000572551798 872329712 /nfs/dbraw/zinc/32/97/12/872329712.db2.gz MJQUUDSCLLAJKH-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478023518 872365727 /nfs/dbraw/zinc/36/57/27/872365727.db2.gz DAWQNBSBCPJVSX-UHFFFAOYSA-N -1 3 376.888 3.755 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000447871581 872401701 /nfs/dbraw/zinc/40/17/01/872401701.db2.gz LFARIJVXBQTVGM-CPCISQLKSA-N -1 3 379.322 3.682 20 0 GHADHM Cc1ccc(CCC[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC001195496629 872447948 /nfs/dbraw/zinc/44/79/48/872447948.db2.gz RZMOSRFFQCNODZ-UHFFFAOYSA-N -1 3 392.315 3.869 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2cn1)c1cc(Br)ccc1F ZINC001195499512 872450666 /nfs/dbraw/zinc/45/06/66/872450666.db2.gz XGBSUEDPLGYCDH-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1cccc([C@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)C(=O)OC(C)(C)C)c1 ZINC001195543821 872476789 /nfs/dbraw/zinc/47/67/89/872476789.db2.gz DMCTZLMZLZZCJB-KRWDZBQOSA-N -1 3 383.554 3.979 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)n1 ZINC000447887649 872478656 /nfs/dbraw/zinc/47/86/56/872478656.db2.gz FNQQUYYEXACGOE-JXFKEZNVSA-N -1 3 390.487 3.599 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)c2ccsc2S1(=O)=O ZINC000794200119 882621698 /nfs/dbraw/zinc/62/16/98/882621698.db2.gz WIIDNUPCILKGSZ-ZANVPECISA-N -1 3 393.511 3.705 20 0 GHADHM O=S(=O)(N[C@H]1CCCc2ccc(Br)cc21)c1ccc([O-])cc1 ZINC001195758161 872614243 /nfs/dbraw/zinc/61/42/43/872614243.db2.gz OIESHHJPPXEOIZ-INIZCTEOSA-N -1 3 382.279 3.511 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001272350619 872617987 /nfs/dbraw/zinc/61/79/87/872617987.db2.gz QJNVYJIDNBCMFJ-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001272350619 872617992 /nfs/dbraw/zinc/61/79/92/872617992.db2.gz QJNVYJIDNBCMFJ-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3c([O-])cccc3Cl)c2)cc1 ZINC000552432355 872635640 /nfs/dbraw/zinc/63/56/40/872635640.db2.gz DMLURGQLOYZGOZ-UHFFFAOYSA-N -1 3 390.848 3.645 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccnc2OC(F)F)c([O-])c1 ZINC001195736244 872637347 /nfs/dbraw/zinc/63/73/47/872637347.db2.gz ASPWFAIMIYXAFJ-UHFFFAOYSA-N -1 3 380.347 3.596 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000175819050 882636049 /nfs/dbraw/zinc/63/60/49/882636049.db2.gz WMTSUGYEYZKZHJ-CQSZACIVSA-N -1 3 377.444 3.886 20 0 GHADHM O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cccc2n[n-]nc21 ZINC000527108839 872673229 /nfs/dbraw/zinc/67/32/29/872673229.db2.gz YXWHZZJTYBCAJK-UHFFFAOYSA-N -1 3 388.383 3.518 20 0 GHADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000448013774 872709944 /nfs/dbraw/zinc/70/99/44/872709944.db2.gz XUPFKVRYSWZALO-MRXNPFEDSA-N -1 3 399.545 3.647 20 0 GHADHM COc1ccc(N[C@@H](C)c2cc(Cl)ccc2OC)cc1[N-]S(C)(=O)=O ZINC000182729774 872710705 /nfs/dbraw/zinc/71/07/05/872710705.db2.gz NFXXVYBNIOWCBI-NSHDSACASA-N -1 3 384.885 3.902 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(Br)cc1C(F)(F)F ZINC001195868962 872727405 /nfs/dbraw/zinc/72/74/05/872727405.db2.gz HINMMIRRKIMUED-MKPLZMMCSA-N -1 3 398.244 3.935 20 0 GHADHM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527162663 872749678 /nfs/dbraw/zinc/74/96/78/872749678.db2.gz VBKAZYVSVDTGNS-UHFFFAOYSA-N -1 3 378.428 3.536 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(Br)cc2OC)n1 ZINC001196103632 872882611 /nfs/dbraw/zinc/88/26/11/872882611.db2.gz FXLOLOZZEVHHEZ-OAHLLOKOSA-N -1 3 392.297 3.853 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCC(C)(c3cccc(Cl)c3)CC1)c2[O-] ZINC000478435539 872989961 /nfs/dbraw/zinc/98/99/61/872989961.db2.gz CTVRRFDQEWARSR-UHFFFAOYSA-N -1 3 384.867 3.521 20 0 GHADHM Cc1c(Br)ccnc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001196273654 873011028 /nfs/dbraw/zinc/01/10/28/873011028.db2.gz QLFWGZZLAPQATB-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Br)[N-]c1nc2ccccc2[nH]1 ZINC000768013870 873026882 /nfs/dbraw/zinc/02/68/82/873026882.db2.gz YRVUPTREAWWGBM-MDZDMXLPSA-N -1 3 378.251 3.738 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1cccc(Br)n1 ZINC001196332683 873039452 /nfs/dbraw/zinc/03/94/52/873039452.db2.gz FIOBIOOZKWYSAO-MRXNPFEDSA-N -1 3 381.295 3.664 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=S)Nc1cccc(C)c1C)OCC ZINC001196391114 873070348 /nfs/dbraw/zinc/07/03/48/873070348.db2.gz REJQUCPXVSBQFE-UHFFFAOYSA-N -1 3 390.509 3.550 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCc3nccc(Br)c3C2)c([O-])c1 ZINC000857967014 882683176 /nfs/dbraw/zinc/68/31/76/882683176.db2.gz NYVICTBWWSPJGH-UHFFFAOYSA-N -1 3 375.266 3.872 20 0 GHADHM CC(C)(C)c1cnc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)s1 ZINC000742807993 873078186 /nfs/dbraw/zinc/07/81/86/873078186.db2.gz UZPHQBRDPOPAOM-UHFFFAOYSA-N -1 3 380.463 3.751 20 0 GHADHM O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc2n[n-]nc21 ZINC000527364905 873086984 /nfs/dbraw/zinc/08/69/84/873086984.db2.gz AOHBHUDRWAFTNP-HNNXBMFYSA-N -1 3 389.228 3.741 20 0 GHADHM O=C(NCc1sccc1Cl)c1cc([O-])cc(I)c1 ZINC001196428157 873109242 /nfs/dbraw/zinc/10/92/42/873109242.db2.gz QQZVDUISKJFNOO-UHFFFAOYSA-N -1 3 393.633 3.642 20 0 GHADHM COCc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494649186 882700034 /nfs/dbraw/zinc/70/00/34/882700034.db2.gz PTZBFOGMELEABX-UHFFFAOYSA-N -1 3 375.368 3.575 20 0 GHADHM COc1ccc(-n2c(SCc3nc(C)cc(=O)[n-]3)nnc2-c2ccco2)cc1 ZINC000768414444 873314240 /nfs/dbraw/zinc/31/42/40/873314240.db2.gz HJUUGRCCHGKZKG-UHFFFAOYSA-N -1 3 395.444 3.632 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000448395768 873321463 /nfs/dbraw/zinc/32/14/63/873321463.db2.gz FZQNLVYIQTVLHH-UHFFFAOYSA-N -1 3 395.415 3.512 20 0 GHADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCN1Cc1ccccc1 ZINC000464195289 873387974 /nfs/dbraw/zinc/38/79/74/873387974.db2.gz WSGIDAWDHYADLD-GDBMZVCRSA-N -1 3 396.915 3.811 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768628631 873432869 /nfs/dbraw/zinc/43/28/69/873432869.db2.gz ZJARSGTXQGSYAS-LBPRGKRZSA-N -1 3 379.334 3.769 20 0 GHADHM [O-]c1cc(I)ccc1NC(=S)Nc1ccc(F)cc1 ZINC001196948666 873493126 /nfs/dbraw/zinc/49/31/26/873493126.db2.gz XLKSZBWEQAZZGG-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM COc1ccc(Br)c(F)c1C(=O)[N-]c1c(Cl)cnnc1Cl ZINC001197024220 873548349 /nfs/dbraw/zinc/54/83/49/873548349.db2.gz UBWHGSVQWGSQTC-UHFFFAOYSA-N -1 3 395.015 3.946 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2F)c1 ZINC001197109735 873604559 /nfs/dbraw/zinc/60/45/59/873604559.db2.gz DSVZXOUGRRQHTN-VMPITWQZSA-N -1 3 387.791 3.605 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000160225249 873632579 /nfs/dbraw/zinc/63/25/79/873632579.db2.gz NTKVVUCELSZYLR-UHFFFAOYSA-N -1 3 386.451 3.657 20 0 GHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000541457713 873644690 /nfs/dbraw/zinc/64/46/90/873644690.db2.gz IPZWCAVYZKREHZ-UHFFFAOYSA-N -1 3 382.489 3.511 20 0 GHADHM Cn1c(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1-c1ccc(Cl)cc1 ZINC001197341274 873752545 /nfs/dbraw/zinc/75/25/45/873752545.db2.gz GRBCUHPNVGVGOK-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM Cn1c(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1-c1ccc(Cl)cc1 ZINC001197341274 873752558 /nfs/dbraw/zinc/75/25/58/873752558.db2.gz GRBCUHPNVGVGOK-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2c1cccc2[N-]S(=O)(=O)Cc1cccnc1 ZINC001197463940 873819681 /nfs/dbraw/zinc/81/96/81/873819681.db2.gz CQGQQWFUOWLYEW-UHFFFAOYSA-N -1 3 387.461 3.761 20 0 GHADHM CCOC(=O)c1cncc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197502753 873872879 /nfs/dbraw/zinc/87/28/79/873872879.db2.gz NZRSHDBINAUZID-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197505060 873875750 /nfs/dbraw/zinc/87/57/50/873875750.db2.gz RIURVJMEYBINCL-UHFFFAOYSA-N -1 3 396.683 3.696 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197546134 873889904 /nfs/dbraw/zinc/88/99/04/873889904.db2.gz AETNKUKTRKCZLD-UHFFFAOYSA-N -1 3 382.309 3.533 20 0 GHADHM CC(=O)N1CC(C)(C)c2ccc([N-]S(=O)(=O)Cc3c(F)cccc3F)cc21 ZINC001197600044 873934135 /nfs/dbraw/zinc/93/41/35/873934135.db2.gz HNXZLMMUIYYFPM-UHFFFAOYSA-N -1 3 394.443 3.551 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1nc(F)c(F)c(Cl)c1F ZINC001197649826 873947151 /nfs/dbraw/zinc/94/71/51/873947151.db2.gz RPKDQSXEXOFJGD-UHFFFAOYSA-N -1 3 389.157 3.887 20 0 GHADHM CN1Cc2cccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])c2C1=O ZINC001197723087 874007177 /nfs/dbraw/zinc/00/71/77/874007177.db2.gz JBNWSMRUIIRNQM-UHFFFAOYSA-N -1 3 388.423 3.809 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccccc1-n1cncn1 ZINC001197753021 874028571 /nfs/dbraw/zinc/02/85/71/874028571.db2.gz AMRJYEDQLQQNOX-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM CCC(CC)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769597463 874145355 /nfs/dbraw/zinc/14/53/55/874145355.db2.gz IVTYGWRORJTUPX-UHFFFAOYSA-N -1 3 386.448 3.580 20 0 GHADHM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc([O-])cc(Br)c1 ZINC000528179113 874156015 /nfs/dbraw/zinc/15/60/15/874156015.db2.gz MRNQSKJPOPQXPC-LBPRGKRZSA-N -1 3 393.256 3.550 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1c(Cl)cccc1Br ZINC000302444958 874200936 /nfs/dbraw/zinc/20/09/36/874200936.db2.gz NNIIXYXWJSYCET-VIFPVBQESA-N -1 3 384.748 3.667 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccccc3OC3CCC3)no2)c([O-])c1 ZINC000528257158 874272565 /nfs/dbraw/zinc/27/25/65/874272565.db2.gz GYJPIZAEFKJTRA-UHFFFAOYSA-N -1 3 393.443 3.654 20 0 GHADHM CC[C@@H](C)N(C)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769741332 874276783 /nfs/dbraw/zinc/27/67/83/874276783.db2.gz JXEXLGBDQDKOHV-CYBMUJFWSA-N -1 3 386.448 3.532 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2OC(F)(F)F)c1cccc(Cl)n1 ZINC001198254886 874314739 /nfs/dbraw/zinc/31/47/39/874314739.db2.gz PTSKIWHMXVXMKJ-LLVKDONJSA-N -1 3 392.786 3.599 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cnc2ccccc2c1 ZINC000121509850 874317969 /nfs/dbraw/zinc/31/79/69/874317969.db2.gz RPQBVSBAAPBDOE-LBPRGKRZSA-N -1 3 388.420 3.663 20 0 GHADHM Cc1cccc([C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C(C)C)c1 ZINC000528288015 874337118 /nfs/dbraw/zinc/33/71/18/874337118.db2.gz IMGQZQJUMVNKIF-NRFANRHFSA-N -1 3 395.503 3.565 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c([O-])c1 ZINC000769914364 874338164 /nfs/dbraw/zinc/33/81/64/874338164.db2.gz XRJRWVNPWHPANX-UHFFFAOYSA-N -1 3 390.487 3.548 20 0 GHADHM Cc1cccc(C)c1NC(=S)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001198349226 874358305 /nfs/dbraw/zinc/35/83/05/874358305.db2.gz FONPGWUZEMLMSW-AWEZNQCLSA-N -1 3 377.510 3.516 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000858080138 882824847 /nfs/dbraw/zinc/82/48/47/882824847.db2.gz CHNNMFHKOJLEFJ-JTQLQIEISA-N -1 3 394.258 3.707 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C1(CC2CC2)CCC(F)(F)CC1 ZINC001198729224 874585198 /nfs/dbraw/zinc/58/51/98/874585198.db2.gz TXBWLJMQBYHYQQ-UHFFFAOYSA-N -1 3 394.871 3.770 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC2CCC(C(F)(F)F)CC2)cc1 ZINC000770317217 874595183 /nfs/dbraw/zinc/59/51/83/874595183.db2.gz NEEHXKGTDXTQTD-UHFFFAOYSA-N -1 3 379.400 3.584 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)n3C)n[n-]2)o1 ZINC000770341732 874629444 /nfs/dbraw/zinc/62/94/44/874629444.db2.gz DAFBDRVNTVEJAG-UHFFFAOYSA-N -1 3 397.822 3.784 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)n3C)[n-]n2)o1 ZINC000770341732 874629451 /nfs/dbraw/zinc/62/94/51/874629451.db2.gz DAFBDRVNTVEJAG-UHFFFAOYSA-N -1 3 397.822 3.784 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc3occc3c2)c(C)c1F ZINC001198869506 874688003 /nfs/dbraw/zinc/68/80/03/874688003.db2.gz VUQFFUYSFQAEME-UHFFFAOYSA-N -1 3 381.356 3.607 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc[nH]c(=O)c3)cc2)c(C)c1 ZINC001198943520 874720495 /nfs/dbraw/zinc/72/04/95/874720495.db2.gz HZDBQKCEDHQEEC-UHFFFAOYSA-N -1 3 386.429 3.697 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)C(F)(F)F)c(C)c1 ZINC001198951487 874745845 /nfs/dbraw/zinc/74/58/45/874745845.db2.gz YKZYUTFWPLDCMK-UHFFFAOYSA-N -1 3 391.342 3.689 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c3c(cccc31)CC2)c1nc(C(F)(F)F)n[n-]1 ZINC001199030200 874766303 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GHADHM O=C(C[C@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1)c1ccco1 ZINC000528821275 875123147 /nfs/dbraw/zinc/12/31/47/875123147.db2.gz RNXUZAZWVAAEAF-CYBMUJFWSA-N -1 3 378.222 3.625 20 0 GHADHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000542239845 875230612 /nfs/dbraw/zinc/23/06/12/875230612.db2.gz DZHMEDRMEFEDFC-LLVKDONJSA-N -1 3 378.277 3.513 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000282025108 875298362 /nfs/dbraw/zinc/29/83/62/875298362.db2.gz QVTNUNAVHLTHME-UHFFFAOYSA-N -1 3 378.425 3.508 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000542270435 875306056 /nfs/dbraw/zinc/30/60/56/875306056.db2.gz XRKFPPHPBGYLRC-OAHLLOKOSA-N -1 3 382.386 3.706 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F ZINC000475735041 882925020 /nfs/dbraw/zinc/92/50/20/882925020.db2.gz AYHQUOUXVKXXSY-SJLPKXTDSA-N -1 3 385.407 3.611 20 0 GHADHM COc1ccc(NC(=S)Nc2ccc(Br)cc2[O-])c(OC)c1 ZINC001200975214 875423093 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Cc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000788812095 878334876 /nfs/dbraw/zinc/33/48/76/878334876.db2.gz IPFLYJDTEUXZKX-CYBMUJFWSA-N -1 3 384.288 3.836 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000530728935 878357544 /nfs/dbraw/zinc/35/75/44/878357544.db2.gz SRMBISNFMZCFEO-OXJNMPFZSA-N -1 3 384.480 3.730 20 0 GHADHM COc1ccc2nc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)sc2c1 ZINC000537866293 878417310 /nfs/dbraw/zinc/41/73/10/878417310.db2.gz WVOMMJBDFGGVLD-UHFFFAOYSA-N -1 3 399.403 3.546 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2ccoc2)n1 ZINC000176958109 878495651 /nfs/dbraw/zinc/49/56/51/878495651.db2.gz SVPUVTNLCZHHKR-UHFFFAOYSA-N -1 3 385.836 3.949 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c(F)c1 ZINC000460823655 878626130 /nfs/dbraw/zinc/62/61/30/878626130.db2.gz KPJZUPHLPKLRBS-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c(C)c1 ZINC000460840537 878656145 /nfs/dbraw/zinc/65/61/45/878656145.db2.gz PSHXQISDHIVSIP-UHFFFAOYSA-N -1 3 390.505 3.957 20 0 GHADHM CC[C@H](C(=O)Nc1c([O-])cccc1C(C)=O)c1cc(OC)c(OC)c(OC)c1 ZINC001183275839 912375778 /nfs/dbraw/zinc/37/57/78/912375778.db2.gz RHSZXYLCLLWGGK-AWEZNQCLSA-N -1 3 387.432 3.753 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)o1 ZINC000538015683 878715746 /nfs/dbraw/zinc/71/57/46/878715746.db2.gz RBNFPPCQRVOJJU-UHFFFAOYSA-N -1 3 390.505 3.682 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)ccc1N(C)C ZINC000152475601 878717098 /nfs/dbraw/zinc/71/70/98/878717098.db2.gz CNGNZSIFVSGGIF-UHFFFAOYSA-N -1 3 395.484 3.605 20 0 GHADHM O=C(NCCc1csc(-c2ccccc2)n1)c1c[n-]c2ccccc2c1=O ZINC000177554980 878752243 /nfs/dbraw/zinc/75/22/43/878752243.db2.gz FRPAFGXPUZZFRM-UHFFFAOYSA-N -1 3 375.453 3.624 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000460903667 878803946 /nfs/dbraw/zinc/80/39/46/878803946.db2.gz AUGZMARYXCAZNM-UHFFFAOYSA-N -1 3 397.431 3.816 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000130080363 878900359 /nfs/dbraw/zinc/90/03/59/878900359.db2.gz OGTYNYJRRJIEBJ-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000130080363 878900364 /nfs/dbraw/zinc/90/03/64/878900364.db2.gz OGTYNYJRRJIEBJ-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2oc3ccc(OC)cc3c2C)s1 ZINC000460953537 878900969 /nfs/dbraw/zinc/90/09/69/878900969.db2.gz UNUQIZLKQWFJTG-NSHDSACASA-N -1 3 380.491 3.808 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCc2ccccc21 ZINC000178268426 879065020 /nfs/dbraw/zinc/06/50/20/879065020.db2.gz HSTNZKOIUUUIIK-INIZCTEOSA-N -1 3 375.266 3.984 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)C1CCC1 ZINC000285742290 912415198 /nfs/dbraw/zinc/41/51/98/912415198.db2.gz RELBMIBDSSIRBS-UHFFFAOYSA-N -1 3 376.453 3.559 20 0 GHADHM O=C(NCc1ncccc1[O-])[C@H](c1ccc(Br)cc1)C1CCC1 ZINC001183321445 912424439 /nfs/dbraw/zinc/42/44/39/912424439.db2.gz PBAFZOMQXJKHNR-KRWDZBQOSA-N -1 3 375.266 3.750 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H]4[C@H](C3)C4(C)C)c2)cc1 ZINC000461150704 879256031 /nfs/dbraw/zinc/25/60/31/879256031.db2.gz UDBPXONLAVYANJ-BGYRXZFFSA-N -1 3 398.528 3.832 20 0 GHADHM O=C(NN=c1cccn[n-]1)c1ccc(-c2ccc(Br)s2)s1 ZINC000180812437 879367763 /nfs/dbraw/zinc/36/77/63/879367763.db2.gz ZMSFXWBWZZJCJW-UHFFFAOYSA-N -1 3 381.280 3.786 20 0 GHADHM O=C(Nc1ccc(F)cc1)[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000790074213 879417386 /nfs/dbraw/zinc/41/73/86/879417386.db2.gz OCUCUAOKTALPST-IBGZPJMESA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccc(F)cc1)[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000790074213 879417393 /nfs/dbraw/zinc/41/73/93/879417393.db2.gz OCUCUAOKTALPST-IBGZPJMESA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccc(F)cc1)[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000790074213 879417405 /nfs/dbraw/zinc/41/74/05/879417405.db2.gz OCUCUAOKTALPST-IBGZPJMESA-N -1 3 390.374 3.634 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)(F)F ZINC000452452401 879465586 /nfs/dbraw/zinc/46/55/86/879465586.db2.gz FLDZWWKDBXWKGP-LURJTMIESA-N -1 3 393.615 3.718 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccccc4Cl)n3)n[n-]2)o1 ZINC000538429851 879466132 /nfs/dbraw/zinc/46/61/32/879466132.db2.gz FHNHZYDWMXMTKU-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC[C@@H]3n3cccn3)cc2)cc(=O)[n-]1 ZINC000531284100 879474828 /nfs/dbraw/zinc/47/48/28/879474828.db2.gz WZGXCELEAHYPSU-HKUYNNGSSA-N -1 3 392.463 3.660 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000152717883 879610048 /nfs/dbraw/zinc/61/00/48/879610048.db2.gz MCQKZGCMONSPSX-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1C(C)C ZINC000790347630 879616697 /nfs/dbraw/zinc/61/66/97/879616697.db2.gz DCNMVYQQMVZKEF-UHFFFAOYSA-N -1 3 388.489 3.665 20 0 GHADHM CCc1cccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1[O-] ZINC000531357349 879694667 /nfs/dbraw/zinc/69/46/67/879694667.db2.gz ADWUYUQCQXLQFV-UHFFFAOYSA-N -1 3 398.478 3.571 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CC[C@H](c3ccc(F)cc3)C2(C)C)[n-]1 ZINC000640316778 879723118 /nfs/dbraw/zinc/72/31/18/879723118.db2.gz ZSJAZTARBVBGHF-CYBMUJFWSA-N -1 3 395.276 3.544 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cccc(Cl)c1Br ZINC000493962558 879779963 /nfs/dbraw/zinc/77/99/63/879779963.db2.gz VIHMMQHBHBRSEQ-MRVPVSSYSA-N -1 3 388.661 3.959 20 0 GHADHM CCOc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000493998526 879802238 /nfs/dbraw/zinc/80/22/38/879802238.db2.gz DPCOPFREVZZUHH-KDOFPFPSSA-N -1 3 388.895 3.837 20 0 GHADHM COc1ccc(C(=O)CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000746921001 879810456 /nfs/dbraw/zinc/81/04/56/879810456.db2.gz DOCLVDHTIJMRKL-UHFFFAOYSA-N -1 3 381.350 3.925 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2Oc2ccccc2C)cc(OC)c1[O-] ZINC000494096031 879885466 /nfs/dbraw/zinc/88/54/66/879885466.db2.gz DGQIXLBHXLHJJY-SJLPKXTDSA-N -1 3 385.460 3.838 20 0 GHADHM CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CCC1 ZINC000854581984 879923543 /nfs/dbraw/zinc/92/35/43/879923543.db2.gz XXCPLVWJBBOAMQ-UHFFFAOYSA-N -1 3 386.452 3.529 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581698 879923588 /nfs/dbraw/zinc/92/35/88/879923588.db2.gz UUAOMSFFWMDXJD-KRWDZBQOSA-N -1 3 396.447 3.781 20 0 GHADHM Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2c(C)c(Br)ccc2[O-])cc1 ZINC000452747272 879969682 /nfs/dbraw/zinc/96/96/82/879969682.db2.gz HVUOIDXESXEZNF-GTNSWQLSSA-N -1 3 378.266 3.875 20 0 GHADHM Cc1cc(C)nc(SCC(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000452749315 879973080 /nfs/dbraw/zinc/97/30/80/879973080.db2.gz LTEGHESYWRYBFG-UHFFFAOYSA-N -1 3 382.283 3.601 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000452806755 880082392 /nfs/dbraw/zinc/08/23/92/880082392.db2.gz BCXIHMCEHBJKOH-UHFFFAOYSA-N -1 3 391.874 3.568 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1 ZINC000183291283 880084559 /nfs/dbraw/zinc/08/45/59/880084559.db2.gz QUPHOKUDHPERLK-UHFFFAOYSA-N -1 3 385.420 3.730 20 0 GHADHM CCNc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000790977232 880137686 /nfs/dbraw/zinc/13/76/86/880137686.db2.gz QWQLHXYRIBBGDM-UHFFFAOYSA-N -1 3 393.484 3.505 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1ccc(Br)s1 ZINC000183860853 880166038 /nfs/dbraw/zinc/16/60/38/880166038.db2.gz IYKNILUIHHJULA-UHFFFAOYSA-N -1 3 382.251 3.927 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)c(I)c1 ZINC000531679792 880312818 /nfs/dbraw/zinc/31/28/18/880312818.db2.gz YRUZUUVPROAXCB-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791370428 880353790 /nfs/dbraw/zinc/35/37/90/880353790.db2.gz FXWIJVDKZXGXDH-UHFFFAOYSA-N -1 3 376.459 3.539 20 0 GHADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000531773088 880457620 /nfs/dbraw/zinc/45/76/20/880457620.db2.gz ZBKSTQRMOUTPLO-HNNXBMFYSA-N -1 3 387.896 3.646 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000791564963 880529777 /nfs/dbraw/zinc/52/97/77/880529777.db2.gz FQWVVMNTBMGNHU-JTQLQIEISA-N -1 3 377.322 3.725 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000643269041 912590685 /nfs/dbraw/zinc/59/06/85/912590685.db2.gz WKSFLKSONWDLJQ-LJQANCHMSA-N -1 3 386.473 3.649 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000186275723 880839853 /nfs/dbraw/zinc/83/98/53/880839853.db2.gz GQICVFKAHRZXEG-CYBMUJFWSA-N -1 3 379.350 3.730 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000531975901 880853605 /nfs/dbraw/zinc/85/36/05/880853605.db2.gz NQFBNLNEIAQUPX-ZBFHGGJFSA-N -1 3 375.266 3.585 20 0 GHADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC)cc1[O-] ZINC000220101033 880916220 /nfs/dbraw/zinc/91/62/20/880916220.db2.gz JMGBFXKKXYIAAD-UHFFFAOYSA-N -1 3 382.229 3.965 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792146252 880939931 /nfs/dbraw/zinc/93/99/31/880939931.db2.gz BUCVXPAWMPYVEN-OAHLLOKOSA-N -1 3 384.476 3.922 20 0 GHADHM CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792124832 880954065 /nfs/dbraw/zinc/95/40/65/880954065.db2.gz AWOPMPNDYUQEJV-NRFANRHFSA-N -1 3 390.483 3.755 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(OC(F)F)c2)nc1-c1ccccc1 ZINC000186840982 881000983 /nfs/dbraw/zinc/00/09/83/881000983.db2.gz UVLFOPWVRPENGV-UHFFFAOYSA-N -1 3 378.400 3.960 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cccc(OC(F)F)c2)[n-]c1-c1ccccc1 ZINC000186840982 881001000 /nfs/dbraw/zinc/00/10/00/881001000.db2.gz UVLFOPWVRPENGV-UHFFFAOYSA-N -1 3 378.400 3.960 20 0 GHADHM CCc1ccc([C@@H]2CN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CCO2)cc1 ZINC000792359859 881054665 /nfs/dbraw/zinc/05/46/65/881054665.db2.gz BRINHKPBLCHCJP-NRFANRHFSA-N -1 3 379.456 3.943 20 0 GHADHM Cc1nc2ccc(NC(=O)Cn3c(=S)[n-]nc3-c3ccc(C)cc3)cc2[nH]1 ZINC000010896545 881090433 /nfs/dbraw/zinc/09/04/33/881090433.db2.gz GTKGRQXTHBCMBT-UHFFFAOYSA-N -1 3 378.461 3.740 20 0 GHADHM CN(CCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(=O)OC(C)(C)C ZINC000792481401 881137405 /nfs/dbraw/zinc/13/74/05/881137405.db2.gz JFVMOKHBIDVLIX-UHFFFAOYSA-N -1 3 399.451 3.804 20 0 GHADHM CN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000532149505 881245571 /nfs/dbraw/zinc/24/55/71/881245571.db2.gz NRJQXUABTJZMGV-OAHLLOKOSA-N -1 3 389.293 3.501 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000640292963 881307174 /nfs/dbraw/zinc/30/71/74/881307174.db2.gz RCYPVSVIEWTXDV-ZYANWLCNSA-N -1 3 376.810 3.563 20 0 GHADHM O=C(CCc1ccc(F)c2ccccc12)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129733214 883142970 /nfs/dbraw/zinc/14/29/70/883142970.db2.gz SNYRVIXQHSTTHR-UHFFFAOYSA-N -1 3 379.370 3.869 20 0 GHADHM O=C(CCc1ccc(F)c2ccccc12)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129733214 883142975 /nfs/dbraw/zinc/14/29/75/883142975.db2.gz SNYRVIXQHSTTHR-UHFFFAOYSA-N -1 3 379.370 3.869 20 0 GHADHM COc1ccc(OCc2nc(CNC3(C(=O)[O-])CCC(C)CC3)cs2)cc1 ZINC000551057913 883198948 /nfs/dbraw/zinc/19/89/48/883198948.db2.gz LUTPIORYJGRLHP-UHFFFAOYSA-N -1 3 390.505 3.854 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1OC ZINC000135084380 883203066 /nfs/dbraw/zinc/20/30/66/883203066.db2.gz ILTBHHWLBXDTDU-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000123260668 883295870 /nfs/dbraw/zinc/29/58/70/883295870.db2.gz NOMYLUANLLHMSB-DAYGRLMNSA-N -1 3 387.277 3.540 20 0 GHADHM Cc1ccc(NC(=N)c2ccc(Br)cc2F)cc1-c1nnn[n-]1 ZINC001170465277 883314497 /nfs/dbraw/zinc/31/44/97/883314497.db2.gz WTKOGENMTUDSEY-UHFFFAOYSA-N -1 3 375.205 3.514 20 0 GHADHM Cc1ccc(NC(=N)c2ccc(Br)cc2F)cc1-c1nn[n-]n1 ZINC001170465277 883314513 /nfs/dbraw/zinc/31/45/13/883314513.db2.gz WTKOGENMTUDSEY-UHFFFAOYSA-N -1 3 375.205 3.514 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C3(c4ccccc4Br)CC3)n[n-]2)o1 ZINC000476920999 883402440 /nfs/dbraw/zinc/40/24/40/883402440.db2.gz MCGDCCQWQMZAKU-UHFFFAOYSA-N -1 3 387.237 3.806 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000185271933 883431475 /nfs/dbraw/zinc/43/14/75/883431475.db2.gz JBDZFESSTAKCHM-CABCVRRESA-N -1 3 399.372 3.905 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(N3CCOC3=O)ccc2F)c(F)c1 ZINC000777068209 883442411 /nfs/dbraw/zinc/44/24/11/883442411.db2.gz NVDPDUDYAHKXQG-UHFFFAOYSA-N -1 3 378.306 3.515 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)ccc2c1 ZINC000135574308 883450992 /nfs/dbraw/zinc/45/09/92/883450992.db2.gz LGXSSRLJCWRBSU-AWEZNQCLSA-N -1 3 387.443 3.695 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)ccc2c1 ZINC000135574308 883451002 /nfs/dbraw/zinc/45/10/02/883451002.db2.gz LGXSSRLJCWRBSU-AWEZNQCLSA-N -1 3 387.443 3.695 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)C1 ZINC000078520315 883491220 /nfs/dbraw/zinc/49/12/20/883491220.db2.gz XQWVLFMLVGORSE-KSSFIOAISA-N -1 3 392.455 3.918 20 0 GHADHM O=C(c1ccc(Sc2ccc(Cl)cc2)o1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476987030 883543049 /nfs/dbraw/zinc/54/30/49/883543049.db2.gz QDYGGOCSXOIYBS-UHFFFAOYSA-N -1 3 387.848 3.778 20 0 GHADHM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cn(C[C@@H]2CCOC2)nn1 ZINC000859066357 883566619 /nfs/dbraw/zinc/56/66/19/883566619.db2.gz CNMMLBYRTRSLSV-VIFPVBQESA-N -1 3 388.827 3.535 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1F ZINC000136182084 883728337 /nfs/dbraw/zinc/72/83/37/883728337.db2.gz QBRIGDPDSRETGN-SECBINFHSA-N -1 3 385.208 3.993 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(Cl)cc1Cl ZINC000747235407 883736434 /nfs/dbraw/zinc/73/64/34/883736434.db2.gz HBMPBYYYJSYTFT-UHFFFAOYSA-N -1 3 398.651 3.505 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000551370802 883742568 /nfs/dbraw/zinc/74/25/68/883742568.db2.gz MQGPYOVKUGWKPV-UHFFFAOYSA-N -1 3 378.469 3.791 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000859697332 883997949 /nfs/dbraw/zinc/99/79/49/883997949.db2.gz CYCHDPJCEBPQSO-UHFFFAOYSA-N -1 3 382.791 3.841 20 0 GHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000556176063 884017471 /nfs/dbraw/zinc/01/74/71/884017471.db2.gz KZMQSQVYJZEHHL-QFIPXVFZSA-N -1 3 396.292 3.812 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000129999274 884050114 /nfs/dbraw/zinc/05/01/14/884050114.db2.gz NHEIAOILESRJLF-CYBMUJFWSA-N -1 3 382.338 3.637 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCCc4c(O)cccc43)cc2)n1 ZINC000190199273 884051932 /nfs/dbraw/zinc/05/19/32/884051932.db2.gz BGHHJCRBWUUJTQ-GOSISDBHSA-N -1 3 375.428 3.510 20 0 GHADHM Cc1sc(Br)c(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1C ZINC000888118916 884424762 /nfs/dbraw/zinc/42/47/62/884424762.db2.gz MWXCSIDGGPIXFA-UHFFFAOYSA-N -1 3 386.271 3.668 20 0 GHADHM Cc1sc(Br)c(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1C ZINC000888118916 884424770 /nfs/dbraw/zinc/42/47/70/884424770.db2.gz MWXCSIDGGPIXFA-UHFFFAOYSA-N -1 3 386.271 3.668 20 0 GHADHM CCSCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000455866169 884467808 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3.587 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364794 884727450 /nfs/dbraw/zinc/72/74/50/884727450.db2.gz SVWXJACWBINTMN-ZACQAIPSSA-N -1 3 382.460 3.849 20 0 GHADHM O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cc([O-])ccc1Cl ZINC000556449570 884973045 /nfs/dbraw/zinc/97/30/45/884973045.db2.gz NSCJOBXJTFZWED-UHFFFAOYSA-N -1 3 390.230 3.804 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2Oc2ccccc2C)c(=O)[n-]1 ZINC000106660836 885130600 /nfs/dbraw/zinc/13/06/00/885130600.db2.gz LDTZPOOXCSHIDW-UHFFFAOYSA-N -1 3 391.471 3.736 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)nc21 ZINC001127331776 885226789 /nfs/dbraw/zinc/22/67/89/885226789.db2.gz SCVREHOXJDFBQP-GRDNDAEWSA-N -1 3 387.480 3.765 20 0 GHADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000053500776 885241390 /nfs/dbraw/zinc/24/13/90/885241390.db2.gz KFHMXCFFWWLPTI-FQEVSTJZSA-N -1 3 395.890 3.748 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)C(C)C)n[n-]2)o1 ZINC000919329783 885349237 /nfs/dbraw/zinc/34/92/37/885349237.db2.gz UTCKCVJSQHWJIQ-KSMMKXTCSA-N -1 3 387.480 3.664 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)C(C)C)[n-]n2)o1 ZINC000919329783 885349256 /nfs/dbraw/zinc/34/92/56/885349256.db2.gz UTCKCVJSQHWJIQ-KSMMKXTCSA-N -1 3 387.480 3.664 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3ncccc3[O-])cc2)c(C)c1Br ZINC000071887587 885351087 /nfs/dbraw/zinc/35/10/87/885351087.db2.gz XFTLJUXJQPBDRS-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccoc3)c2)cc1 ZINC000045835411 885358951 /nfs/dbraw/zinc/35/89/51/885358951.db2.gz JAFVTNQDTDLBTK-UHFFFAOYSA-N -1 3 384.457 3.627 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)cc1Cl ZINC000104734397 885591978 /nfs/dbraw/zinc/59/19/78/885591978.db2.gz MHIVKMNOOJVSTJ-UHFFFAOYSA-N -1 3 396.871 3.795 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)C1CC1)c1ccc(Br)s1 ZINC000303875458 885754527 /nfs/dbraw/zinc/75/45/27/885754527.db2.gz QNVWFULQLFLIPX-CYBMUJFWSA-N -1 3 386.336 3.810 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000861777286 885849308 /nfs/dbraw/zinc/84/93/08/885849308.db2.gz ROBUAJCUEHWDRV-KRWDZBQOSA-N -1 3 388.508 3.810 20 0 GHADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(-c2ccccc2Cl)nn1 ZINC000152627569 885900715 /nfs/dbraw/zinc/90/07/15/885900715.db2.gz ZMSLTQORPQCQSD-BQYQJAHWSA-N -1 3 398.835 3.788 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)ccc2o1 ZINC000808125494 885999715 /nfs/dbraw/zinc/99/97/15/885999715.db2.gz AVMOEMISSGXPIV-UHFFFAOYSA-N -1 3 394.408 3.781 20 0 GHADHM COc1cccc2[nH]cc(CC(=O)Nc3ccc(Br)cc3[O-])c21 ZINC000537603770 886035681 /nfs/dbraw/zinc/03/56/81/886035681.db2.gz HWGWSCRFZHPQDN-UHFFFAOYSA-N -1 3 375.222 3.826 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)c1[O-] ZINC000808188457 886083630 /nfs/dbraw/zinc/08/36/30/886083630.db2.gz XISKABZZUYQASG-UHFFFAOYSA-N -1 3 378.384 3.717 20 0 GHADHM CNC(=O)c1cc(Oc2cccc(NCc3c(F)ccc([O-])c3F)c2)ccn1 ZINC000556876633 886409310 /nfs/dbraw/zinc/40/93/10/886409310.db2.gz LZXNEKJDOUYNPM-UHFFFAOYSA-N -1 3 385.370 3.829 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000119301190 886527286 /nfs/dbraw/zinc/52/72/86/886527286.db2.gz HSMLQXWXPMJXQG-UHFFFAOYSA-N -1 3 375.226 3.950 20 0 GHADHM O=C(NN1CCc2ccccc2C1=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000762653829 886604487 /nfs/dbraw/zinc/60/44/87/886604487.db2.gz TVITVOIOMWGZPT-UHFFFAOYSA-N -1 3 386.451 3.521 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2ccc(Cl)s2)n1 ZINC000057430040 886650756 /nfs/dbraw/zinc/65/07/56/886650756.db2.gz BYSPDMFKOVTPAP-UHFFFAOYSA-N -1 3 379.776 3.914 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccc(Cl)s2)n1 ZINC000057430040 886650775 /nfs/dbraw/zinc/65/07/75/886650775.db2.gz BYSPDMFKOVTPAP-UHFFFAOYSA-N -1 3 379.776 3.914 20 0 GHADHM COc1cccc2c(C(=O)OCc3cccc(C(=O)N4CCCCC4)c3)n[n-]c21 ZINC000808675384 886670673 /nfs/dbraw/zinc/67/06/73/886670673.db2.gz FIROPEYIZBRDTR-UHFFFAOYSA-N -1 3 393.443 3.555 20 0 GHADHM COc1cccc2c(C(=O)OCc3cccc(C(=O)N4CCCCC4)c3)[n-]nc21 ZINC000808675384 886670679 /nfs/dbraw/zinc/67/06/79/886670679.db2.gz FIROPEYIZBRDTR-UHFFFAOYSA-N -1 3 393.443 3.555 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3c(C)cccc3C(C)C)n[n-]c21 ZINC000808676988 886677413 /nfs/dbraw/zinc/67/74/13/886677413.db2.gz VDVRQJKUSFOISS-UHFFFAOYSA-N -1 3 381.432 3.799 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3c(C)cccc3C(C)C)[n-]nc21 ZINC000808676988 886677423 /nfs/dbraw/zinc/67/74/23/886677423.db2.gz VDVRQJKUSFOISS-UHFFFAOYSA-N -1 3 381.432 3.799 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000762736019 886771976 /nfs/dbraw/zinc/77/19/76/886771976.db2.gz NGNOGTCVQDVGKW-INIZCTEOSA-N -1 3 388.895 3.930 20 0 GHADHM C[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000640291357 886780361 /nfs/dbraw/zinc/78/03/61/886780361.db2.gz ARDPJRQDMOTXJM-SECBINFHSA-N -1 3 378.757 3.585 20 0 GHADHM CCc1cc2c(CSc3ncc4c(n3)CCCC4=O)cc(=O)oc2cc1[O-] ZINC000863352653 887051555 /nfs/dbraw/zinc/05/15/55/887051555.db2.gz PJMDWNSZUYXARV-UHFFFAOYSA-N -1 3 382.441 3.662 20 0 GHADHM O=c1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(C2CC2)[n-]1 ZINC000459330704 887395976 /nfs/dbraw/zinc/39/59/76/887395976.db2.gz UFVXOVAVGBDSEN-MRXNPFEDSA-N -1 3 380.275 3.940 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c(=O)[n-]1 ZINC000762990245 887497596 /nfs/dbraw/zinc/49/75/96/887497596.db2.gz DYCBVMHKVYVREG-NRFANRHFSA-N -1 3 391.471 3.646 20 0 GHADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccc([O-])c(F)c1 ZINC000132702696 887690798 /nfs/dbraw/zinc/69/07/98/887690798.db2.gz LCWMPXGMSWJEBN-UHFFFAOYSA-N -1 3 376.334 3.714 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)s1 ZINC000041154049 887727667 /nfs/dbraw/zinc/72/76/67/887727667.db2.gz KWEXOOZAAOXCKU-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM O=C([O-])[C@H](CCSc1ccccc1)NCc1cccnc1Br ZINC000864512945 887818320 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CCc1cc2c(CN3CCC[C@H](OCC(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000917940933 892856068 /nfs/dbraw/zinc/85/60/68/892856068.db2.gz JKJGNUGRHRPYLV-AWEZNQCLSA-N -1 3 385.382 3.604 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cc1OC ZINC000129061591 892960109 /nfs/dbraw/zinc/96/01/09/892960109.db2.gz ORQCZBRDWZELSC-UHFFFAOYSA-N -1 3 387.436 3.846 20 0 GHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccoc3C3(O)CCOCC3)s2)c1 ZINC000825868700 893087884 /nfs/dbraw/zinc/08/78/84/893087884.db2.gz HXTACQINSFCJTR-UHFFFAOYSA-N -1 3 399.472 3.665 20 0 GHADHM Cc1cnccc1OC1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876397219 893126506 /nfs/dbraw/zinc/12/65/06/893126506.db2.gz YOTNQJDZPJDPIR-UHFFFAOYSA-N -1 3 375.856 3.502 20 0 GHADHM Cc1ccc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1C ZINC000126044776 893249434 /nfs/dbraw/zinc/24/94/34/893249434.db2.gz RDTJTWQAVQLWRQ-UHFFFAOYSA-N -1 3 388.471 3.608 20 0 GHADHM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N)cc1[O-] ZINC000877068065 893467211 /nfs/dbraw/zinc/46/72/11/893467211.db2.gz PWAVQTUQDMJCSK-AAEUAGOBSA-N -1 3 375.266 3.755 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc([O-])c3F)CCCC2)c1 ZINC000129484964 893490883 /nfs/dbraw/zinc/49/08/83/893490883.db2.gz NWPCHCAFWFPXDD-UHFFFAOYSA-N -1 3 391.464 3.873 20 0 GHADHM O=c1[n-]c(CN2CCCSC[C@H]2C(F)(F)F)nc2c3ccccc3oc21 ZINC000934242686 893497860 /nfs/dbraw/zinc/49/78/60/893497860.db2.gz DQHVTOXWNJKQAU-LBPRGKRZSA-N -1 3 383.395 3.951 20 0 GHADHM COc1cnc([C@@H]2CCCN2CCCC(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000934272293 893514490 /nfs/dbraw/zinc/51/44/90/893514490.db2.gz CHRGNOKAIUQFJY-KRWDZBQOSA-N -1 3 398.507 3.672 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(CC(=O)[O-])CC1 ZINC000563283653 893561619 /nfs/dbraw/zinc/56/16/19/893561619.db2.gz SFQSSYHLSGPOSQ-UHFFFAOYSA-N -1 3 375.900 3.888 20 0 GHADHM CCOc1cc(CN2CCN([C@@H](C)c3nccs3)CC2)cc(Cl)c1[O-] ZINC000459483840 893596491 /nfs/dbraw/zinc/59/64/91/893596491.db2.gz SGZJPZKKPRZDPR-ZDUSSCGKSA-N -1 3 381.929 3.780 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)CCO1 ZINC000288547916 913802949 /nfs/dbraw/zinc/80/29/49/913802949.db2.gz PIJTZLNGYNDQJO-CYBMUJFWSA-N -1 3 382.432 3.650 20 0 GHADHM Cc1cc(Cl)ccc1OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000918480203 893786663 /nfs/dbraw/zinc/78/66/63/893786663.db2.gz IHNQWRZSYJRPTA-UHFFFAOYSA-N -1 3 397.880 3.783 20 0 GHADHM CCOc1cccc(CN(CCO)Cc2cccc([O-])c2Br)c1 ZINC000459565365 893830480 /nfs/dbraw/zinc/83/04/80/893830480.db2.gz UCEMZDHCVPWOTF-UHFFFAOYSA-N -1 3 380.282 3.548 20 0 GHADHM COc1ccccc1CC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878036603 893969332 /nfs/dbraw/zinc/96/93/32/893969332.db2.gz ODUZDAPPGRXDEW-UHFFFAOYSA-N -1 3 379.460 3.906 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000129837044 894005126 /nfs/dbraw/zinc/00/51/26/894005126.db2.gz VGTAZIMEGPTSAZ-ZDUSSCGKSA-N -1 3 391.406 3.665 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC3CCCC3)c2)cc1 ZINC000774868421 913836713 /nfs/dbraw/zinc/83/67/13/913836713.db2.gz OOKZGLCVOHWIKO-UHFFFAOYSA-N -1 3 388.489 3.708 20 0 GHADHM CCOc1cc(Br)c(CC(=O)[N-]OC2CCCC2)cc1OCC ZINC000774869380 913842350 /nfs/dbraw/zinc/84/23/50/913842350.db2.gz STZKQOMXHYMKRI-UHFFFAOYSA-N -1 3 386.286 3.779 20 0 GHADHM COc1ccc(C(=O)[N-]C(=O)CN[C@@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000774873058 913848135 /nfs/dbraw/zinc/84/81/35/913848135.db2.gz LCMRZQAOTGZXBN-NSHDSACASA-N -1 3 381.259 3.609 20 0 GHADHM Cc1c(Br)c[nH]c(=O)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185428686 913856527 /nfs/dbraw/zinc/85/65/27/913856527.db2.gz DOEQKUFTAOHCBC-UHFFFAOYSA-N -1 3 399.291 3.874 20 0 GHADHM O=c1[nH]c(Br)ccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429449 913857878 /nfs/dbraw/zinc/85/78/78/913857878.db2.gz MPPOQVHZTDQXRI-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM CSCc1nc2ccccc2n1CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537118352 894338904 /nfs/dbraw/zinc/33/89/04/894338904.db2.gz HERVIEAVGLSSAL-UHFFFAOYSA-N -1 3 391.500 3.658 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2cc(COC(C)(C)C)on2)cnc1Cl ZINC000935474749 894529627 /nfs/dbraw/zinc/52/96/27/894529627.db2.gz LZRWACIIGBSCIK-UHFFFAOYSA-N -1 3 387.814 3.755 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)o1 ZINC000878768499 894591116 /nfs/dbraw/zinc/59/11/16/894591116.db2.gz XRWVPGYWVVMOFD-FQEVSTJZSA-N -1 3 377.444 3.602 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](C(F)F)CC1 ZINC001170816562 894631285 /nfs/dbraw/zinc/63/12/85/894631285.db2.gz XBXMHTUDVZRXQA-IBGZPJMESA-N -1 3 375.415 3.674 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c([O-])c1 ZINC000127368933 894672600 /nfs/dbraw/zinc/67/26/00/894672600.db2.gz NWBQZNUOXXIHIQ-UHFFFAOYSA-N -1 3 383.404 3.525 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc(C(F)F)ncn1 ZINC000935657770 894704512 /nfs/dbraw/zinc/70/45/12/894704512.db2.gz ZWDWKSVEHYADLV-LBPRGKRZSA-N -1 3 387.415 3.986 20 0 GHADHM CCOCCN(Cc1nnc(-c2ccccc2[O-])o1)[C@H]1CCc2ccccc21 ZINC000879051880 894806453 /nfs/dbraw/zinc/80/64/53/894806453.db2.gz FGKUWUHTQCAYAS-IBGZPJMESA-N -1 3 379.460 3.968 20 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COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc(OC)c1C(C)C ZINC000826180345 895835558 /nfs/dbraw/zinc/83/55/58/895835558.db2.gz CWVDSDVQWLDFHP-UHFFFAOYSA-N -1 3 381.436 3.568 20 0 GHADHM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc(OC)c1C(C)C ZINC000826180345 895835569 /nfs/dbraw/zinc/83/55/69/895835569.db2.gz CWVDSDVQWLDFHP-UHFFFAOYSA-N -1 3 381.436 3.568 20 0 GHADHM CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000565783660 895875960 /nfs/dbraw/zinc/87/59/60/895875960.db2.gz CIDNCXGADLOPOK-UHFFFAOYSA-N -1 3 397.880 3.637 20 0 GHADHM CCOc1ccc(CN2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC001136076149 895979787 /nfs/dbraw/zinc/97/97/87/895979787.db2.gz XIDYHWJSADHYCA-UHFFFAOYSA-N -1 3 390.483 3.902 20 0 GHADHM Nc1ccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c([O-])c1 ZINC000817998972 895982612 /nfs/dbraw/zinc/98/26/12/895982612.db2.gz NONDLXAMGLPDKD-UHFFFAOYSA-N -1 3 375.266 3.757 20 0 GHADHM CCOC(=O)c1nnsc1[N-]c1ccc(Cl)c(C(=O)N(CC)CC)c1 ZINC001185699960 914026647 /nfs/dbraw/zinc/02/66/47/914026647.db2.gz ZMASKGSEPHFNMW-UHFFFAOYSA-N -1 3 382.873 3.594 20 0 GHADHM Cc1c([O-])ccc2c(CN(CC(=O)Nc3ccc(F)cc3)C(C)C)cc(=O)oc12 ZINC000302837989 914026977 /nfs/dbraw/zinc/02/69/77/914026977.db2.gz PISSIXVYKPSNLG-UHFFFAOYSA-N -1 3 398.434 3.795 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645713971 914036469 /nfs/dbraw/zinc/03/64/69/914036469.db2.gz SITOOAVZQKUGFN-UHFFFAOYSA-N -1 3 397.724 3.859 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCn4c(nnc4C4CCCC4)C3)c2c1 ZINC000566291112 896219167 /nfs/dbraw/zinc/21/91/67/896219167.db2.gz GAAOTIZIKFCZKV-UHFFFAOYSA-N -1 3 391.475 3.819 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H]1CCC[C@@H](C)C1 ZINC000818803986 896244727 /nfs/dbraw/zinc/24/47/27/896244727.db2.gz YVJVKFMAYSCGBR-ZBFHGGJFSA-N -1 3 384.517 3.555 20 0 GHADHM CCCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000566466263 896327776 /nfs/dbraw/zinc/32/77/76/896327776.db2.gz MJYWZCJRDDIZHV-UHFFFAOYSA-N -1 3 378.469 3.887 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1O ZINC000826216961 896370509 /nfs/dbraw/zinc/37/05/09/896370509.db2.gz SZILCQWDZIMUEJ-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1O ZINC000826216961 896370521 /nfs/dbraw/zinc/37/05/21/896370521.db2.gz SZILCQWDZIMUEJ-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826215385 896383931 /nfs/dbraw/zinc/38/39/31/896383931.db2.gz NJFROBMMIVUQJP-UGSOOPFHSA-N -1 3 394.504 3.655 20 0 GHADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826215385 896383945 /nfs/dbraw/zinc/38/39/45/896383945.db2.gz NJFROBMMIVUQJP-UGSOOPFHSA-N -1 3 394.504 3.655 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826219273 896395519 /nfs/dbraw/zinc/39/55/19/896395519.db2.gz XHCBABPOBRJGHF-BTYIYWSLSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826219273 896395540 /nfs/dbraw/zinc/39/55/40/896395540.db2.gz XHCBABPOBRJGHF-BTYIYWSLSA-N -1 3 386.459 3.711 20 0 GHADHM CSCCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228879 896566593 /nfs/dbraw/zinc/56/65/93/896566593.db2.gz FGXOSOLSZJTFEU-CQSZACIVSA-N -1 3 396.520 3.647 20 0 GHADHM CSCCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228879 896566605 /nfs/dbraw/zinc/56/66/05/896566605.db2.gz FGXOSOLSZJTFEU-CQSZACIVSA-N -1 3 396.520 3.647 20 0 GHADHM CCn1cnnc1-c1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001136210841 896568640 /nfs/dbraw/zinc/56/86/40/896568640.db2.gz TZYGNTWTQNCARL-UHFFFAOYSA-N -1 3 387.237 3.685 20 0 GHADHM Cc1c(NC(=S)Nc2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000826242589 896595666 /nfs/dbraw/zinc/59/56/66/896595666.db2.gz VWDCEFRUKWYKNE-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM Cc1c(NC(=S)Nc2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000826242589 896595678 /nfs/dbraw/zinc/59/56/78/896595678.db2.gz VWDCEFRUKWYKNE-UHFFFAOYSA-N -1 3 389.282 3.747 20 0 GHADHM COc1cccc(-c2nc(CN3CC[C@](C(=O)[O-])(C(C)C)C3)cs2)c1OC ZINC000566860601 896640284 /nfs/dbraw/zinc/64/02/84/896640284.db2.gz QQLKWWAEYFHVMK-HXUWFJFHSA-N -1 3 390.505 3.760 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)c(C)c1 ZINC000566888147 896666815 /nfs/dbraw/zinc/66/68/15/896666815.db2.gz WGJWPMNCQMRODH-UHFFFAOYSA-N -1 3 396.459 3.694 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001136219114 896702878 /nfs/dbraw/zinc/70/28/78/896702878.db2.gz KWSZEOVCPAQVCX-INIZCTEOSA-N -1 3 393.256 3.897 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1cccc(OC(F)F)c1 ZINC001136230939 896739752 /nfs/dbraw/zinc/73/97/52/896739752.db2.gz ZOAGRKABVNIHLE-SECBINFHSA-N -1 3 394.324 3.899 20 0 GHADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000130075472 896973589 /nfs/dbraw/zinc/97/35/89/896973589.db2.gz QJWYICKNPAQNMT-UHFFFAOYSA-N -1 3 394.471 3.884 20 0 GHADHM O=S(=O)([N-]CCCc1nccs1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000567402729 897122965 /nfs/dbraw/zinc/12/29/65/897122965.db2.gz SCPPBWLWWRRCMU-UHFFFAOYSA-N -1 3 399.950 3.831 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)c2ccccc21 ZINC001136296767 897137597 /nfs/dbraw/zinc/13/75/97/897137597.db2.gz UYQYEYNZGGSTFA-HNNXBMFYSA-N -1 3 388.471 3.613 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000820098379 897154133 /nfs/dbraw/zinc/15/41/33/897154133.db2.gz XOBHJCRNRAEKDC-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000820098379 897154153 /nfs/dbraw/zinc/15/41/53/897154153.db2.gz XOBHJCRNRAEKDC-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM Cc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1C ZINC000826296037 897165985 /nfs/dbraw/zinc/16/59/85/897165985.db2.gz HNRUBDNSLNDBGD-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1C ZINC000826296037 897165995 /nfs/dbraw/zinc/16/59/95/897165995.db2.gz HNRUBDNSLNDBGD-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1n[nH]cc1C(F)(F)F ZINC001136305850 897180022 /nfs/dbraw/zinc/18/00/22/897180022.db2.gz HYZZKKYGALBATK-UHFFFAOYSA-N -1 3 385.396 3.825 20 0 GHADHM C[C@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CCCCC1 ZINC000820227118 897250898 /nfs/dbraw/zinc/25/08/98/897250898.db2.gz YUVGRJVRLQRMDP-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCCC1 ZINC000820227118 897250911 /nfs/dbraw/zinc/25/09/11/897250911.db2.gz YUVGRJVRLQRMDP-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM O=C([N-]c1nonc1-c1nc2ccccc2[nH]1)c1ccc(OCC2CC2)cc1F ZINC001185852130 914141463 /nfs/dbraw/zinc/14/14/63/914141463.db2.gz ZMFIYWJFAMURRP-UHFFFAOYSA-N -1 3 393.378 3.793 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342133 897280662 /nfs/dbraw/zinc/28/06/62/897280662.db2.gz UBBURPNTRRIFLJ-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342133 897280676 /nfs/dbraw/zinc/28/06/76/897280676.db2.gz UBBURPNTRRIFLJ-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000567595407 897280770 /nfs/dbraw/zinc/28/07/70/897280770.db2.gz GONUCHLITNCYOQ-LZJOCLMNSA-N -1 3 380.488 3.515 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(Cl)ccc(F)c1Cl ZINC000820391400 897300673 /nfs/dbraw/zinc/30/06/73/897300673.db2.gz OVKFQCQGUATKOW-ZCFIWIBFSA-N -1 3 386.239 3.865 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(Cl)ccc(F)c1Cl ZINC000820391400 897300683 /nfs/dbraw/zinc/30/06/83/897300683.db2.gz OVKFQCQGUATKOW-ZCFIWIBFSA-N -1 3 386.239 3.865 20 0 GHADHM O=C(Nc1nc2c(s1)CCCC2)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001136339577 897328133 /nfs/dbraw/zinc/32/81/33/897328133.db2.gz KQSSJTRGAUXTRK-UHFFFAOYSA-N -1 3 381.457 3.959 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000567732448 897367124 /nfs/dbraw/zinc/36/71/24/897367124.db2.gz WXNFYFIYQVQVLC-UHFFFAOYSA-N -1 3 389.496 3.956 20 0 GHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC001185907866 914166890 /nfs/dbraw/zinc/16/68/90/914166890.db2.gz FDGPZOWCBWBFHT-UHFFFAOYSA-N -1 3 381.444 3.764 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1cnn(-c2ccccc2F)c1 ZINC000820798765 897555404 /nfs/dbraw/zinc/55/54/04/897555404.db2.gz JESCOAMYPYCFDQ-UHFFFAOYSA-N -1 3 387.223 3.514 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC001185935894 914178093 /nfs/dbraw/zinc/17/80/93/914178093.db2.gz MLPAVOKWVWWVLR-OAHLLOKOSA-N -1 3 396.921 3.757 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820988619 897656491 /nfs/dbraw/zinc/65/64/91/897656491.db2.gz GUYIXFNICSHOQR-DNVCBOLYSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820988619 897656498 /nfs/dbraw/zinc/65/64/98/897656498.db2.gz GUYIXFNICSHOQR-DNVCBOLYSA-N -1 3 376.464 3.914 20 0 GHADHM Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2c([O-])cccc2Cl)CC3)c1 ZINC000568213755 897678399 /nfs/dbraw/zinc/67/83/99/897678399.db2.gz HCMPOTKPUQZDRJ-CQSZACIVSA-N -1 3 382.851 3.814 20 0 GHADHM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000821127631 897729107 /nfs/dbraw/zinc/72/91/07/897729107.db2.gz KHHXQCZQYXQRMC-UHFFFAOYSA-N -1 3 379.507 3.657 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccccc1Cl ZINC000821304270 897833172 /nfs/dbraw/zinc/83/31/72/897833172.db2.gz DEMASLZZQVYWTI-UHFFFAOYSA-N -1 3 388.884 3.683 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000028752654 897884446 /nfs/dbraw/zinc/88/44/46/897884446.db2.gz KLTOXHPWQPAAMD-JOYOIKCWSA-N -1 3 383.231 3.507 20 0 GHADHM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000568580580 897956880 /nfs/dbraw/zinc/95/68/80/897956880.db2.gz PFCGGQVSMBHKRW-UHFFFAOYSA-N -1 3 397.232 3.728 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(C)c1Br ZINC001275483559 914209660 /nfs/dbraw/zinc/20/96/60/914209660.db2.gz OGDORXWGZUJKTP-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(C)c1Br ZINC001275483559 914209669 /nfs/dbraw/zinc/20/96/69/914209669.db2.gz OGDORXWGZUJKTP-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cc3ccccc3nc2Cl)cc1 ZINC000029209674 898214681 /nfs/dbraw/zinc/21/46/81/898214681.db2.gz QNNYOWKAFYYJKV-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)[C@@H](C)CO2)c1 ZINC000822232170 898261053 /nfs/dbraw/zinc/26/10/53/898261053.db2.gz VSYXPDWHFCHNAC-MGPUTAFESA-N -1 3 381.455 3.585 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000569274569 898495293 /nfs/dbraw/zinc/49/52/93/898495293.db2.gz LJBLRFAWGAITCE-NWDGAFQWSA-N -1 3 399.406 3.596 20 0 GHADHM C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000800068884 898553737 /nfs/dbraw/zinc/55/37/37/898553737.db2.gz BWYURYBEYBWIQM-VMPCVLLUSA-N -1 3 391.399 3.666 20 0 GHADHM Fc1ccc(OCCCN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826376165 898623316 /nfs/dbraw/zinc/62/33/16/898623316.db2.gz QWYWPISOPJOAKN-MRXNPFEDSA-N -1 3 395.360 3.668 20 0 GHADHM Fc1ccc(OCCCN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826376165 898623321 /nfs/dbraw/zinc/62/33/21/898623321.db2.gz QWYWPISOPJOAKN-MRXNPFEDSA-N -1 3 395.360 3.668 20 0 GHADHM O=C(OCc1nc(-c2ccccc2Cl)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000774971466 914273592 /nfs/dbraw/zinc/27/35/92/914273592.db2.gz JKDIDMOHLFBPAT-UHFFFAOYSA-N -1 3 398.827 3.704 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)c3cccc4nn[n-]c43)cs2)cc1 ZINC000800207630 898743735 /nfs/dbraw/zinc/74/37/35/898743735.db2.gz DIQVWFUCOJAHDN-UHFFFAOYSA-N -1 3 380.429 3.659 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)c3cccc4[n-]nnc43)cs2)cc1 ZINC000800207630 898743742 /nfs/dbraw/zinc/74/37/42/898743742.db2.gz DIQVWFUCOJAHDN-UHFFFAOYSA-N -1 3 380.429 3.659 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)c3cccc4n[n-]nc43)cs2)cc1 ZINC000800207630 898743749 /nfs/dbraw/zinc/74/37/49/898743749.db2.gz DIQVWFUCOJAHDN-UHFFFAOYSA-N -1 3 380.429 3.659 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2ccncc2Br)cnc1Cl ZINC001171005570 898822950 /nfs/dbraw/zinc/82/29/50/898822950.db2.gz VIHLSQKPMMGXAP-UHFFFAOYSA-N -1 3 390.615 3.609 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCSCC1 ZINC000133815494 899066152 /nfs/dbraw/zinc/06/61/52/899066152.db2.gz VAKMTNCZDIKXPG-UHFFFAOYSA-N -1 3 384.473 3.627 20 0 GHADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570047842 899091708 /nfs/dbraw/zinc/09/17/08/899091708.db2.gz WOTDOYUTFGNGGL-VXGBXAGGSA-N -1 3 377.282 3.847 20 0 GHADHM CC(C)Sc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646199406 914318019 /nfs/dbraw/zinc/31/80/19/914318019.db2.gz UWKSGPODNXDLTQ-KBPBESRZSA-N -1 3 387.505 3.681 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3OCCc4ccccc43)c2)n1 ZINC000115032179 899148969 /nfs/dbraw/zinc/14/89/69/899148969.db2.gz TXVNRBGWBNHNIX-FQEVSTJZSA-N -1 3 389.455 3.642 20 0 GHADHM COC(=O)[C@H](C)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115195006 899167656 /nfs/dbraw/zinc/16/76/56/899167656.db2.gz MACDXSZQGKZKQA-NXEZZACHSA-N -1 3 378.475 3.848 20 0 GHADHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1c([O-])cccc1Cl ZINC000570418409 899311587 /nfs/dbraw/zinc/31/15/87/899311587.db2.gz FONXWVBWBGREBJ-UHFFFAOYSA-N -1 3 397.656 3.567 20 0 GHADHM CCOc1cc(CN2CCn3c(Cc4ccccc4)nnc3C2)cc(Cl)c1[O-] ZINC000570680822 899503104 /nfs/dbraw/zinc/50/31/04/899503104.db2.gz LZFVXGDBDHPBMO-UHFFFAOYSA-N -1 3 398.894 3.642 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001136853432 899523238 /nfs/dbraw/zinc/52/32/38/899523238.db2.gz KCQVRMOAIPCMEC-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM CC(C)SCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824337753 899537812 /nfs/dbraw/zinc/53/78/12/899537812.db2.gz FUIDUYGPTCPGNN-CQSZACIVSA-N -1 3 381.505 3.853 20 0 GHADHM CC(C)SCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824337753 899537823 /nfs/dbraw/zinc/53/78/23/899537823.db2.gz FUIDUYGPTCPGNN-CQSZACIVSA-N -1 3 381.505 3.853 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470552 899616442 /nfs/dbraw/zinc/61/64/42/899616442.db2.gz JISJWWAMZCLONM-IFXJQAMLSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470552 899616456 /nfs/dbraw/zinc/61/64/56/899616456.db2.gz JISJWWAMZCLONM-IFXJQAMLSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478284 899620605 /nfs/dbraw/zinc/62/06/05/899620605.db2.gz GICXAQGJPIGCOD-FOIQADDNSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478284 899620614 /nfs/dbraw/zinc/62/06/14/899620614.db2.gz GICXAQGJPIGCOD-FOIQADDNSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)COc1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478560 899622786 /nfs/dbraw/zinc/62/27/86/899622786.db2.gz HYAFNRDCKKVJDN-MRXNPFEDSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@@H](NC(=O)COc1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478560 899622793 /nfs/dbraw/zinc/62/27/93/899622793.db2.gz HYAFNRDCKKVJDN-MRXNPFEDSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@@H](NC(=O)CCc1ccccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479886 899625442 /nfs/dbraw/zinc/62/54/42/899625442.db2.gz QQTPPDSNIGUHHY-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CCc1ccccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479886 899625445 /nfs/dbraw/zinc/62/54/45/899625445.db2.gz QQTPPDSNIGUHHY-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480529 899626775 /nfs/dbraw/zinc/62/67/75/899626775.db2.gz XVYYMJMYOJHASD-HZPDHXFCSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480529 899626779 /nfs/dbraw/zinc/62/67/79/899626779.db2.gz XVYYMJMYOJHASD-HZPDHXFCSA-N -1 3 391.475 3.528 20 0 GHADHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000571108590 899741594 /nfs/dbraw/zinc/74/15/94/899741594.db2.gz GWABRBWQUVZSRR-ZDUSSCGKSA-N -1 3 388.320 3.607 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3csc([C@H]4CCCO4)n3)c2)n1 ZINC000120204970 899769910 /nfs/dbraw/zinc/76/99/10/899769910.db2.gz XPZMQRNZGDURFK-MRXNPFEDSA-N -1 3 396.472 3.560 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCO1 ZINC000824864798 899843850 /nfs/dbraw/zinc/84/38/50/899843850.db2.gz FVQMFMXQBOBUSJ-OLZOCXBDSA-N -1 3 397.410 3.552 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCO1 ZINC000824864798 899843858 /nfs/dbraw/zinc/84/38/58/899843858.db2.gz FVQMFMXQBOBUSJ-OLZOCXBDSA-N -1 3 397.410 3.552 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1=O ZINC000824867778 899844659 /nfs/dbraw/zinc/84/46/59/899844659.db2.gz RIQCDWFAKATCAY-HIFRSBDPSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1=O ZINC000824867778 899844666 /nfs/dbraw/zinc/84/46/66/899844666.db2.gz RIQCDWFAKATCAY-HIFRSBDPSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)C1 ZINC000824897882 899866606 /nfs/dbraw/zinc/86/66/06/899866606.db2.gz CFGCKXKKNNXCDB-DNVCBOLYSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)C1 ZINC000824897882 899866615 /nfs/dbraw/zinc/86/66/15/899866615.db2.gz CFGCKXKKNNXCDB-DNVCBOLYSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccnc(C4CC4)c3)c2-c2nnn[n-]2)C1 ZINC000824967274 899918394 /nfs/dbraw/zinc/91/83/94/899918394.db2.gz JDEPMOCPFYHLGD-JTQLQIEISA-N -1 3 380.477 3.578 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccnc(C4CC4)c3)c2-c2nn[n-]n2)C1 ZINC000824967274 899918402 /nfs/dbraw/zinc/91/84/02/899918402.db2.gz JDEPMOCPFYHLGD-JTQLQIEISA-N -1 3 380.477 3.578 20 0 GHADHM COc1ccc(OC)c(OCCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001186216385 914392681 /nfs/dbraw/zinc/39/26/81/914392681.db2.gz WVZRTKUVARKODX-UHFFFAOYSA-N -1 3 396.237 3.580 20 0 GHADHM CC[C@H](SC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825159186 900020687 /nfs/dbraw/zinc/02/06/87/900020687.db2.gz KVQKAYUWGBXOJK-UGSOOPFHSA-N -1 3 381.505 3.853 20 0 GHADHM CC[C@H](SC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825159186 900020698 /nfs/dbraw/zinc/02/06/98/900020698.db2.gz KVQKAYUWGBXOJK-UGSOOPFHSA-N -1 3 381.505 3.853 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825195749 900039943 /nfs/dbraw/zinc/03/99/43/900039943.db2.gz YNAPOTQROQXVRE-NEPJUHHUSA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825195749 900039949 /nfs/dbraw/zinc/03/99/49/900039949.db2.gz YNAPOTQROQXVRE-NEPJUHHUSA-N -1 3 379.917 3.792 20 0 GHADHM O=C(C=CSc1cc(F)ccc1F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305201 900080856 /nfs/dbraw/zinc/08/08/56/900080856.db2.gz UXANTWVBCNGVNE-SREVYHEPSA-N -1 3 377.416 3.650 20 0 GHADHM O=C(C=Cc1ccccc1C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305323 900083178 /nfs/dbraw/zinc/08/31/78/900083178.db2.gz VSOGILGBQBPWLC-HJWRWDBZSA-N -1 3 377.366 3.798 20 0 GHADHM Cc1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186271492 914412335 /nfs/dbraw/zinc/41/23/35/914412335.db2.gz QLXRFOKNLKAHQQ-UHFFFAOYSA-N -1 3 388.518 3.791 20 0 GHADHM CCN(C(=O)c1cc2ccccc2n1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379989 900135052 /nfs/dbraw/zinc/13/50/52/900135052.db2.gz NFVFLPZYTGCDPF-UHFFFAOYSA-N -1 3 380.839 3.679 20 0 GHADHM CCN(C(=O)c1cc2ccccc2n1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379989 900135063 /nfs/dbraw/zinc/13/50/63/900135063.db2.gz NFVFLPZYTGCDPF-UHFFFAOYSA-N -1 3 380.839 3.679 20 0 GHADHM Cc1cc(C(=O)OCc2nnc(-c3ccccc3[O-])o2)c(C)n1[C@@H]1CCCOC1 ZINC000884599746 900191936 /nfs/dbraw/zinc/19/19/36/900191936.db2.gz JZTLSZXCINMWMC-OAHLLOKOSA-N -1 3 397.431 3.569 20 0 GHADHM O=C(CSCCCc1ccsc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826419855 900207480 /nfs/dbraw/zinc/20/74/80/900207480.db2.gz OQPSSHYUBVHTHG-UHFFFAOYSA-N -1 3 393.925 3.886 20 0 GHADHM O=C(CSCCCc1ccsc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826419855 900207493 /nfs/dbraw/zinc/20/74/93/900207493.db2.gz OQPSSHYUBVHTHG-UHFFFAOYSA-N -1 3 393.925 3.886 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000572757413 900265851 /nfs/dbraw/zinc/26/58/51/900265851.db2.gz SELZDPAKZOKRAQ-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM O=C(NC1CC1)[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826429223 900315828 /nfs/dbraw/zinc/31/58/28/900315828.db2.gz XDQQEEGKGKZKPS-INIZCTEOSA-N -1 3 385.880 3.632 20 0 GHADHM O=C(NC1CC1)[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826429223 900315834 /nfs/dbraw/zinc/31/58/34/900315834.db2.gz XDQQEEGKGKZKPS-INIZCTEOSA-N -1 3 385.880 3.632 20 0 GHADHM O=C(c1ccc([O-])cc1F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001186326522 914439325 /nfs/dbraw/zinc/43/93/25/914439325.db2.gz DKTVZZARIUUDJH-UHFFFAOYSA-N -1 3 377.375 3.679 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000573524343 900540317 /nfs/dbraw/zinc/54/03/17/900540317.db2.gz MLQVWOSLVKSMTQ-CTYIDZIISA-N -1 3 396.878 3.881 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N(C)Cc2csc(C(C)(C)O)n2)c1C ZINC000844213036 900605012 /nfs/dbraw/zinc/60/50/12/900605012.db2.gz FPAQDSQEMOBYAH-UHFFFAOYSA-N -1 3 385.489 3.870 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCC1(F)F ZINC000574089099 900769536 /nfs/dbraw/zinc/76/95/36/900769536.db2.gz CJWFZUNVQODYLX-VIFPVBQESA-N -1 3 390.308 3.544 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1cccc2ncccc21 ZINC000574242676 900832612 /nfs/dbraw/zinc/83/26/12/900832612.db2.gz JJZWKCCLWGYVRT-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000157850776 900852788 /nfs/dbraw/zinc/85/27/88/900852788.db2.gz ZDDYTMWSLLUJIF-QGZVFWFLSA-N -1 3 382.382 3.889 20 0 GHADHM CC(F)(F)c1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000574562831 900930761 /nfs/dbraw/zinc/93/07/61/900930761.db2.gz YOOYHPLLOXSHBW-UHFFFAOYSA-N -1 3 379.388 3.887 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCCC(=O)N3)c2)c(C)c1 ZINC000886486110 901069554 /nfs/dbraw/zinc/06/95/54/901069554.db2.gz ZGFSJAFESZJIFG-GOSISDBHSA-N -1 3 388.489 3.536 20 0 GHADHM CC1CCN(c2nnc(SCc3cc(=O)[n-]c(C4CC4)n3)n2C2CC2)CC1 ZINC000575150146 901139780 /nfs/dbraw/zinc/13/97/80/901139780.db2.gz UNHQIUTXVGXRBX-UHFFFAOYSA-N -1 3 386.525 3.515 20 0 GHADHM Cc1ccc2[nH]c(-c3ccccc3[N-]S(=O)(=O)C[C@@H]3CCCOC3)nc2c1 ZINC000844667043 901155623 /nfs/dbraw/zinc/15/56/23/901155623.db2.gz IELGSNUFCGFODX-OAHLLOKOSA-N -1 3 385.489 3.707 20 0 GHADHM Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)C[C@@H]3CCCOC3)[nH]c2c1 ZINC000844667043 901155631 /nfs/dbraw/zinc/15/56/31/901155631.db2.gz IELGSNUFCGFODX-OAHLLOKOSA-N -1 3 385.489 3.707 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCCC3)C1)C(F)(F)F ZINC000844811859 901311856 /nfs/dbraw/zinc/31/18/56/901311856.db2.gz VZFKQJRGKATBND-AWEZNQCLSA-N -1 3 397.441 3.878 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H]3C3CC3)c2)cc1 ZINC000575877870 901420466 /nfs/dbraw/zinc/42/04/66/901420466.db2.gz LZNOLPWFZKDEDC-HXUWFJFHSA-N -1 3 384.501 3.729 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1[C@H](NCc1cc(=O)c([O-])co1)C(F)(F)F ZINC000091710065 901453941 /nfs/dbraw/zinc/45/39/41/901453941.db2.gz DHCWEGKOZGBNDX-SFHVURJKSA-N -1 3 393.365 3.541 20 0 GHADHM CC(=O)c1ccsc1[N-]C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001274000091 901484118 /nfs/dbraw/zinc/48/41/18/901484118.db2.gz AKXUOZNGHNXKNU-UHFFFAOYSA-N -1 3 398.341 3.942 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2ccc3n[nH]nc3c2)no1 ZINC000576051175 901620427 /nfs/dbraw/zinc/62/04/27/901620427.db2.gz XZHZHJMZZIZOHS-UHFFFAOYSA-N -1 3 385.383 3.960 20 0 GHADHM Fc1cc(NCc2ccc3ncc(Br)cc3c2)cc(-c2nnn[n-]2)c1 ZINC001171165041 901850583 /nfs/dbraw/zinc/85/05/83/901850583.db2.gz UKVURUZOZFOOFH-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Fc1cc(NCc2ccc3ncc(Br)cc3c2)cc(-c2nn[n-]n2)c1 ZINC001171165041 901850593 /nfs/dbraw/zinc/85/05/93/901850593.db2.gz UKVURUZOZFOOFH-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1Cl ZINC000576256653 901875229 /nfs/dbraw/zinc/87/52/29/901875229.db2.gz NQELPJRDLLTMRY-QFIPXVFZSA-N -1 3 392.329 3.981 20 0 GHADHM CC1(C)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000576322450 901946334 /nfs/dbraw/zinc/94/63/34/901946334.db2.gz DDYOMMNMSRQKES-HHHXNRCGSA-N -1 3 385.529 3.551 20 0 GHADHM O=C(Nc1ccc(C2CCC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000333265727 901954372 /nfs/dbraw/zinc/95/43/72/901954372.db2.gz MVGDMFWJWTWSTG-UHFFFAOYSA-N -1 3 379.460 3.650 20 0 GHADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001186459259 914587003 /nfs/dbraw/zinc/58/70/03/914587003.db2.gz BKSDLERXABPOAU-LBPRGKRZSA-N -1 3 381.910 3.644 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000845312120 902064928 /nfs/dbraw/zinc/06/49/28/902064928.db2.gz MQZBCKGNHLBCNJ-LSDHHAIUSA-N -1 3 396.365 3.640 20 0 GHADHM Cc1cc(CCCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C)s1 ZINC000290278977 914609419 /nfs/dbraw/zinc/60/94/19/914609419.db2.gz CYSFIBIZNBHAHR-CQSZACIVSA-N -1 3 390.471 3.605 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)s2)cc1 ZINC001144502437 902282203 /nfs/dbraw/zinc/28/22/03/902282203.db2.gz JXDKFDJFGCCBIO-CQSZACIVSA-N -1 3 398.488 3.576 20 0 GHADHM Cc1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)sc1Cc1ccc(F)cc1 ZINC000576835650 902292884 /nfs/dbraw/zinc/29/28/84/902292884.db2.gz IZHZMBAMBHOQRC-UHFFFAOYSA-N -1 3 384.436 3.807 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144554086 902370236 /nfs/dbraw/zinc/37/02/36/902370236.db2.gz WYRKNKXQTAIPRC-JOCHJYFZSA-N -1 3 384.426 3.571 20 0 GHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC001186538842 914625195 /nfs/dbraw/zinc/62/51/95/914625195.db2.gz BEQXFRCGSOEELT-MZNJEOGPSA-N -1 3 386.583 3.663 20 0 GHADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000577127632 902524610 /nfs/dbraw/zinc/52/46/10/902524610.db2.gz YXIXYABPLQATLC-AWEZNQCLSA-N -1 3 389.452 3.673 20 0 GHADHM COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2)cc1 ZINC001144628962 902533072 /nfs/dbraw/zinc/53/30/72/902533072.db2.gz OAHQAZPIPGFPJV-UHFFFAOYSA-N -1 3 394.402 3.973 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c([O-])cc1F ZINC001144663956 902584522 /nfs/dbraw/zinc/58/45/22/902584522.db2.gz PIVCXQPDSORJAK-LQDVMPOASA-N -1 3 382.451 3.938 20 0 GHADHM COC(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cs2)cc1 ZINC000577283154 902646526 /nfs/dbraw/zinc/64/65/26/902646526.db2.gz MTGRPANLGOULJZ-QGZVFWFLSA-N -1 3 388.489 3.816 20 0 GHADHM O=C([O-])CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CCOCC1 ZINC000846274070 902838417 /nfs/dbraw/zinc/83/84/17/902838417.db2.gz NEOOFHGDNOZCJA-UHFFFAOYSA-N -1 3 398.381 3.816 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001186624358 914668325 /nfs/dbraw/zinc/66/83/25/914668325.db2.gz GPETZNKCAGQYQX-SECBINFHSA-N -1 3 396.793 3.802 20 0 GHADHM CCc1ccc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC001144827685 902991196 /nfs/dbraw/zinc/99/11/96/902991196.db2.gz OSDOADDLTZIIKS-QHCPKHFHSA-N -1 3 383.488 3.984 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000048184712 903028949 /nfs/dbraw/zinc/02/89/49/903028949.db2.gz VVNDIFTUFMNFRY-LBPRGKRZSA-N -1 3 382.441 3.750 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1cccc(COC2CCCCC2)c1 ZINC000887695589 903487006 /nfs/dbraw/zinc/48/70/06/903487006.db2.gz ZMOMNMQXTLWZRL-UHFFFAOYSA-N -1 3 388.493 3.642 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000578208670 903612704 /nfs/dbraw/zinc/61/27/04/903612704.db2.gz CUCJFNDTKPOJBI-GGUMNFRJSA-N -1 3 395.499 3.782 20 0 GHADHM CN1c2ccccc2C[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1=O ZINC001146963760 903658668 /nfs/dbraw/zinc/65/86/68/903658668.db2.gz JKABYYWVXLGFBS-LJQANCHMSA-N -1 3 388.423 3.502 20 0 GHADHM COC(=O)c1ccc(C(=O)N(CCc2ccccc2)c2ccc(OC)cc2)[n-]1 ZINC001147226246 903739353 /nfs/dbraw/zinc/73/93/53/903739353.db2.gz KHDUPUQTMCTAET-UHFFFAOYSA-N -1 3 378.428 3.699 20 0 GHADHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 ZINC001186741769 914758808 /nfs/dbraw/zinc/75/88/08/914758808.db2.gz IEGAGXCXMYTSRK-BSEYFRJRSA-N -1 3 398.575 3.851 20 0 GHADHM Cc1cc(Cl)nc(Cl)c1C(=O)[N-]c1nonc1-c1nc2ccccc2[nH]1 ZINC001147892152 903892294 /nfs/dbraw/zinc/89/22/94/903892294.db2.gz PRJFLFOLRCVBGZ-UHFFFAOYSA-N -1 3 389.202 3.875 20 0 GHADHM O=C(NCc1ccccc1COCc1ccccc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646674392 914764659 /nfs/dbraw/zinc/76/46/59/914764659.db2.gz BBUGHQQWSITICL-UHFFFAOYSA-N -1 3 387.439 3.915 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2cncc([O-])c2)cs1 ZINC001148121551 903993778 /nfs/dbraw/zinc/99/37/78/903993778.db2.gz BFLWCRTWVVVSJA-AWEZNQCLSA-N -1 3 390.465 3.568 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(C(=O)c2ccccc2)cc1 ZINC001148291883 904038448 /nfs/dbraw/zinc/03/84/48/904038448.db2.gz SUNHBAVIHKIJOJ-UHFFFAOYSA-N -1 3 385.379 3.524 20 0 GHADHM O=C([N-]CCOc1c(Cl)cc(Cl)cc1Cl)C(F)(F)C1(O)CCC1 ZINC001137248394 904095460 /nfs/dbraw/zinc/09/54/60/904095460.db2.gz PSYBZZAIXIQGOD-UHFFFAOYSA-N -1 3 388.625 3.692 20 0 GHADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000578756149 904101094 /nfs/dbraw/zinc/10/10/94/904101094.db2.gz GPJKDNCDOWIAQW-PBHICJAKSA-N -1 3 388.291 3.574 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186773364 914796958 /nfs/dbraw/zinc/79/69/58/914796958.db2.gz HKKCVAYZDPZLMW-UHFFFAOYSA-N -1 3 399.749 3.671 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186776971 914800060 /nfs/dbraw/zinc/80/00/60/914800060.db2.gz JOUIYSNHWHSGNE-UHFFFAOYSA-N -1 3 399.749 3.671 20 0 GHADHM Cn1ccnc1[C@H]1C[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000579205256 904427865 /nfs/dbraw/zinc/42/78/65/904427865.db2.gz UFGHYMWMZQMEEP-FOIQADDNSA-N -1 3 393.443 3.568 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1[O-] ZINC000579358192 904539346 /nfs/dbraw/zinc/53/93/46/904539346.db2.gz LJRKPBPKMFUPAW-DZGCQCFKSA-N -1 3 395.459 3.742 20 0 GHADHM Fc1cc(NCCc2ccc(OCc3ccccn3)cc2)cc(-c2nnn[n-]2)c1 ZINC001171427784 904582625 /nfs/dbraw/zinc/58/26/25/904582625.db2.gz KOQNNQYUNCVPGY-UHFFFAOYSA-N -1 3 390.422 3.634 20 0 GHADHM Fc1cc(NCCc2ccc(OCc3ccccn3)cc2)cc(-c2nn[n-]n2)c1 ZINC001171427784 904582640 /nfs/dbraw/zinc/58/26/40/904582640.db2.gz KOQNNQYUNCVPGY-UHFFFAOYSA-N -1 3 390.422 3.634 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)c1 ZINC000188204651 904891179 /nfs/dbraw/zinc/89/11/79/904891179.db2.gz FRGRSXBKYBMDBZ-GZQZNAIASA-N -1 3 377.444 3.600 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001171736391 905019376 /nfs/dbraw/zinc/01/93/76/905019376.db2.gz CXRIOSQXGUYEHX-CQSZACIVSA-N -1 3 386.810 3.614 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)c2ccccc21)C(F)(F)F ZINC001171914457 905145184 /nfs/dbraw/zinc/14/51/84/905145184.db2.gz BAVQIXOYFKAUSP-UKRRQHHQSA-N -1 3 380.410 3.766 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000173937953 905165254 /nfs/dbraw/zinc/16/52/54/905165254.db2.gz QXEGHPNYYMSPEM-UHFFFAOYSA-N -1 3 396.318 3.764 20 0 GHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000901469327 921137685 /nfs/dbraw/zinc/13/76/85/921137685.db2.gz SZZGPPWLGNZSAX-SFHVURJKSA-N -1 3 398.297 3.543 20 0 GHADHM C/C(=C\c1ccccc1C(F)(F)F)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524357 921201973 /nfs/dbraw/zinc/20/19/73/921201973.db2.gz GIIBUPRWOKCSRR-BMQCOBNYSA-N -1 3 394.397 3.736 20 0 GHADHM Cn1ncc2c1nc(SCCCOc1cccc(C(F)(F)F)c1)[n-]c2=O ZINC000629216164 906596378 /nfs/dbraw/zinc/59/63/78/906596378.db2.gz CYTHFDVFIQYIMT-UHFFFAOYSA-N -1 3 384.383 3.649 20 0 GHADHM Cc1nc([C@@H](C)N2CCN(C(C)(C)C(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000629364210 906735388 /nfs/dbraw/zinc/73/53/88/906735388.db2.gz WMNFNPMCLXZEPN-CQSZACIVSA-N -1 3 391.899 3.845 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629371441 906745476 /nfs/dbraw/zinc/74/54/76/906745476.db2.gz BROPAASQLJTUPX-UHFFFAOYSA-N -1 3 375.494 3.860 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]2CCC[C@H]21 ZINC000629373169 906746542 /nfs/dbraw/zinc/74/65/42/906746542.db2.gz HJLULTFCAGFFLO-ARFHVFGLSA-N -1 3 386.473 3.614 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000629494863 906829916 /nfs/dbraw/zinc/82/99/16/906829916.db2.gz DZZYODNEPHOLFB-HACGYAERSA-N -1 3 399.318 3.700 20 0 GHADHM C[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000629498884 906834872 /nfs/dbraw/zinc/83/48/72/906834872.db2.gz AFRDAZFKYSJWNA-UZLBHIALSA-N -1 3 390.499 3.530 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c([O-])c1 ZINC000191717158 907181764 /nfs/dbraw/zinc/18/17/64/907181764.db2.gz XDCJKBUXEKZUGA-UHFFFAOYSA-N -1 3 389.455 3.556 20 0 GHADHM Cc1nc(CCNCc2cccc(F)c2OCC(F)(F)F)sc1C(=O)[O-] ZINC000630450122 907284957 /nfs/dbraw/zinc/28/49/57/907284957.db2.gz CEGPFWOGDNOBPP-UHFFFAOYSA-N -1 3 392.374 3.562 20 0 GHADHM COC([O-])=NC(=S)N(c1cc(F)cc(OC(C)C)c1)c1ccccc1N ZINC001175144898 907401332 /nfs/dbraw/zinc/40/13/32/907401332.db2.gz FGLMJYJYYYLDAM-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM FC(F)(F)c1cnc(Nc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC001175425274 907545159 /nfs/dbraw/zinc/54/51/59/907545159.db2.gz QCCFSAHRWBNNCX-UHFFFAOYSA-N -1 3 385.147 3.787 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001175429722 907549154 /nfs/dbraw/zinc/54/91/54/907549154.db2.gz ZCVAESIEHLZNOB-UHFFFAOYSA-N -1 3 378.436 3.908 20 0 GHADHM CCOC(=O)c1csc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC001175431277 907550397 /nfs/dbraw/zinc/55/03/97/907550397.db2.gz AHWPPBUPMSYCOL-UHFFFAOYSA-N -1 3 392.444 3.911 20 0 GHADHM COC(=O)c1cc(Br)c([O-])c(Nc2c3cn[nH]c3ccc2C)c1 ZINC001175526697 907602472 /nfs/dbraw/zinc/60/24/72/907602472.db2.gz PGVPBFXMJVGABJ-UHFFFAOYSA-N -1 3 376.210 3.870 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)n1 ZINC001175621308 907646300 /nfs/dbraw/zinc/64/63/00/907646300.db2.gz IVIDQCSGOHTTJD-OAQYLSRUSA-N -1 3 392.544 3.508 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](c4cccnc4)C3)cc2)cc(=O)[n-]1 ZINC000631532961 907745987 /nfs/dbraw/zinc/74/59/87/907745987.db2.gz GYACJOLTANLOAJ-GOSISDBHSA-N -1 3 389.459 3.964 20 0 GHADHM CCc1cc2c(CSc3n[nH]c(-c4ccccc4O)n3)cc(=O)oc2cc1[O-] ZINC000192948151 908029758 /nfs/dbraw/zinc/02/97/58/908029758.db2.gz XPKMVDPLJGBCKN-UHFFFAOYSA-N -1 3 395.440 3.844 20 0 GHADHM CC(=O)CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000632416012 908033892 /nfs/dbraw/zinc/03/38/92/908033892.db2.gz JRGJPRSEZLXDPN-UHFFFAOYSA-N -1 3 382.707 3.530 20 0 GHADHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000193165418 908124171 /nfs/dbraw/zinc/12/41/71/908124171.db2.gz FTHORAPRTRZKEC-CQSZACIVSA-N -1 3 380.213 3.977 20 0 GHADHM COc1cc(CN2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)cc2c1OCO2 ZINC000901598104 921384886 /nfs/dbraw/zinc/38/48/86/921384886.db2.gz APGXBKGJCLCOFK-LJQANCHMSA-N -1 3 397.471 3.894 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858918 908276783 /nfs/dbraw/zinc/27/67/83/908276783.db2.gz RUOXZOQKICAKKN-GOSISDBHSA-N -1 3 383.517 3.860 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c([O-])c1 ZINC001176967487 908334991 /nfs/dbraw/zinc/33/49/91/908334991.db2.gz NVVOOBJKHNXBEH-MRXNPFEDSA-N -1 3 397.475 3.598 20 0 GHADHM C[C@@](NCc1ccc(C(F)F)nc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000901621374 921405580 /nfs/dbraw/zinc/40/55/80/921405580.db2.gz IEOBTBQHVISZKG-INIZCTEOSA-N -1 3 385.208 3.871 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000194190477 908865017 /nfs/dbraw/zinc/86/50/17/908865017.db2.gz GSRZQCIOFGQBAG-GJZGRUSLSA-N -1 3 378.469 3.549 20 0 GHADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000194942573 908977745 /nfs/dbraw/zinc/97/77/45/908977745.db2.gz NXGAVLRIDRNORA-LBPRGKRZSA-N -1 3 377.847 3.535 20 0 GHADHM CCc1ccccc1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000084201481 909043744 /nfs/dbraw/zinc/04/37/44/909043744.db2.gz SPOQDKBUYFWVIC-UHFFFAOYSA-N -1 3 389.702 3.538 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)n1 ZINC001178700388 909196495 /nfs/dbraw/zinc/19/64/95/909196495.db2.gz WXRIYBXADRUECC-YFHOEESVSA-N -1 3 394.519 3.587 20 0 GHADHM COc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Br ZINC000267015311 909366355 /nfs/dbraw/zinc/36/63/55/909366355.db2.gz ITQGYBRXVTVITP-UHFFFAOYSA-N -1 3 394.269 3.812 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(C)n1Cc1ccccc1 ZINC001179076217 909376359 /nfs/dbraw/zinc/37/63/59/909376359.db2.gz VAYFBTUTOIEDAB-UHFFFAOYSA-N -1 3 380.448 3.694 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(C)n1Cc1ccccc1 ZINC001179076217 909376377 /nfs/dbraw/zinc/37/63/77/909376377.db2.gz VAYFBTUTOIEDAB-UHFFFAOYSA-N -1 3 380.448 3.694 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182336 909398511 /nfs/dbraw/zinc/39/85/11/909398511.db2.gz CZROTIYWJKMJPH-ZCFIWIBFSA-N -1 3 391.275 3.815 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cs2)c1 ZINC000636317651 909535942 /nfs/dbraw/zinc/53/59/42/909535942.db2.gz IVEWBYGWPORKDL-UHFFFAOYSA-N -1 3 394.500 3.741 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636319216 909536280 /nfs/dbraw/zinc/53/62/80/909536280.db2.gz NFAGRZOPKSATEB-HNNXBMFYSA-N -1 3 383.492 3.965 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319550 909539363 /nfs/dbraw/zinc/53/93/63/909539363.db2.gz RLPVJBPFSQEANA-GFCCVEGCSA-N -1 3 393.409 3.964 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319690 909540104 /nfs/dbraw/zinc/54/01/04/909540104.db2.gz WQHDUEPMCJEGNJ-UHFFFAOYSA-N -1 3 396.274 3.842 20 0 GHADHM Cc1sc(Br)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1C ZINC000636320856 909541420 /nfs/dbraw/zinc/54/14/20/909541420.db2.gz LZESKSMRQVUICO-UHFFFAOYSA-N -1 3 396.310 3.821 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@H](C)[C@@H]3C)c2)c1 ZINC000267874928 909678940 /nfs/dbraw/zinc/67/89/40/909678940.db2.gz REXANQSTMMADDX-KBPBESRZSA-N -1 3 398.459 3.532 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)C1(c2cccc(F)c2)CCC1 ZINC001179949306 909825000 /nfs/dbraw/zinc/82/50/00/909825000.db2.gz ZTZKXVLBGMKWCO-UHFFFAOYSA-N -1 3 393.418 3.966 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)C1(c2cccc(F)c2)CCC1 ZINC001179949306 909825015 /nfs/dbraw/zinc/82/50/15/909825015.db2.gz ZTZKXVLBGMKWCO-UHFFFAOYSA-N -1 3 393.418 3.966 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)cs2)o1 ZINC001180221200 910020672 /nfs/dbraw/zinc/02/06/72/910020672.db2.gz DIZYKDJVNLEYIF-JOCQHMNTSA-N -1 3 384.461 3.663 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)c(CSC)c3)nc21 ZINC001180282237 910072270 /nfs/dbraw/zinc/07/22/70/910072270.db2.gz JTSNAPCVSFUIDD-UHFFFAOYSA-N -1 3 387.436 3.994 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)Cc3ccc(O)cc3)nc21 ZINC001180282444 910072392 /nfs/dbraw/zinc/07/23/92/910072392.db2.gz SGMAGZVLTHDJEA-UHFFFAOYSA-N -1 3 381.432 3.653 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1CCC(C)(C)CC1 ZINC000270795618 910703875 /nfs/dbraw/zinc/70/38/75/910703875.db2.gz VGNFXOPAORDTMX-UHFFFAOYSA-N -1 3 382.508 3.818 20 0 GHADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000271229120 910826398 /nfs/dbraw/zinc/82/63/98/910826398.db2.gz SUZUVJVOFMEBNC-CQSZACIVSA-N -1 3 375.490 3.752 20 0 GHADHM CC(C)CN(Cc1cn(-c2ccc(F)cc2Cl)nn1)CC(C)(C)C(=O)[O-] ZINC000901839678 921623798 /nfs/dbraw/zinc/62/37/98/921623798.db2.gz RJBRYNIIZMZDPX-UHFFFAOYSA-N -1 3 382.867 3.629 20 0 GHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ncc(Br)cc1F ZINC000795563647 911208585 /nfs/dbraw/zinc/20/85/85/911208585.db2.gz MJHNQWBJVNCRFP-UHFFFAOYSA-N -1 3 393.665 3.621 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001182148219 911209719 /nfs/dbraw/zinc/20/97/19/911209719.db2.gz RAQFUPMSHUEWKX-FHSNZYRGSA-N -1 3 381.444 3.734 20 0 GHADHM CCN(CC)Cc1cn(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)nn1 ZINC000640858292 911222927 /nfs/dbraw/zinc/22/29/27/911222927.db2.gz NJXMFOADGSFVCP-UHFFFAOYSA-N -1 3 394.504 3.546 20 0 GHADHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1nnc2ccccc2c1[O-] ZINC000091800173 911285270 /nfs/dbraw/zinc/28/52/70/911285270.db2.gz HHQKOEDKEINALQ-CQSZACIVSA-N -1 3 379.313 3.898 20 0 GHADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000641597780 911455955 /nfs/dbraw/zinc/45/59/55/911455955.db2.gz GOYQOWZQNZQJJH-UHFFFAOYSA-N -1 3 394.827 3.840 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000642121302 911773296 /nfs/dbraw/zinc/77/32/96/911773296.db2.gz KLXFYYLADKXBNM-UHFFFAOYSA-N -1 3 394.452 3.794 20 0 GHADHM CCOc1cc(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc(Cl)c1[O-] ZINC001182490468 911840868 /nfs/dbraw/zinc/84/08/68/911840868.db2.gz QVQAAOPCJLIHNA-GDBMZVCRSA-N -1 3 396.915 3.886 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(NC(=O)C2CC2)c1 ZINC000642323574 911981514 /nfs/dbraw/zinc/98/15/14/911981514.db2.gz HHEBZGQEXXJTCW-UHFFFAOYSA-N -1 3 375.222 3.756 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccn(-c4ccccc4Cl)n3)c(=O)c2c1 ZINC001182969493 912157378 /nfs/dbraw/zinc/15/73/78/912157378.db2.gz RKPRPRWVAUWJPS-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM Cc1ccc(-c2n[nH]cc2CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000901932788 921743135 /nfs/dbraw/zinc/74/31/35/921743135.db2.gz VOIFANKVIRUESW-UHFFFAOYSA-N -1 3 382.489 3.919 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000292250593 915582449 /nfs/dbraw/zinc/58/24/49/915582449.db2.gz SHWNPRJVMDWLOR-SPKLELGKSA-N -1 3 396.468 3.659 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC001188085280 915744999 /nfs/dbraw/zinc/74/49/99/915744999.db2.gz ZKOXAYBUDKFLCF-DGCLKSJQSA-N -1 3 377.680 3.876 20 0 GHADHM CC(C)(Cc1cccc(F)c1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188097647 915754567 /nfs/dbraw/zinc/75/45/67/915754567.db2.gz MVPHLUDAFQJOTF-UHFFFAOYSA-N -1 3 377.268 3.827 20 0 GHADHM COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001188147302 915781046 /nfs/dbraw/zinc/78/10/46/915781046.db2.gz ZLFHRVNXEWHISU-UHFFFAOYSA-N -1 3 380.187 3.609 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CCC1 ZINC001188175663 915795318 /nfs/dbraw/zinc/79/53/18/915795318.db2.gz VSFDTIUFFRWJOZ-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM Cc1cnccc1C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188196509 915805749 /nfs/dbraw/zinc/80/57/49/915805749.db2.gz LRACJVOZMDHKMS-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM CN(C)Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)c1 ZINC001188236480 915812987 /nfs/dbraw/zinc/81/29/87/915812987.db2.gz OKJOIZJGOGRRKV-UHFFFAOYSA-N -1 3 393.818 3.616 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)nc(C2CC2)[n-]1 ZINC001188424704 915935031 /nfs/dbraw/zinc/93/50/31/915935031.db2.gz XRKOANSKDXDMST-UHFFFAOYSA-N -1 3 385.420 3.667 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Oc2ccc(F)cc2)cc1)c1c[nH]nc1Cl ZINC001188499388 916016059 /nfs/dbraw/zinc/01/60/59/916016059.db2.gz YEWJDSGEFMYLJC-UHFFFAOYSA-N -1 3 395.843 3.516 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000649394294 916137211 /nfs/dbraw/zinc/13/72/11/916137211.db2.gz JYHRHGBUBTVDFF-UHFFFAOYSA-N -1 3 380.419 3.646 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc2oc3ccccc3c2c1 ZINC001188821083 916228753 /nfs/dbraw/zinc/22/87/53/916228753.db2.gz FLPCDKKPHSZWLQ-UHFFFAOYSA-N -1 3 390.424 3.968 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(C)cc2c1 ZINC000649594720 916249341 /nfs/dbraw/zinc/24/93/41/916249341.db2.gz ADSJATJNBNETEY-UHFFFAOYSA-N -1 3 386.473 3.733 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[n-]1 ZINC000293836806 916411306 /nfs/dbraw/zinc/41/13/06/916411306.db2.gz XNDYUJAOXGZBHY-HHHXNRCGSA-N -1 3 388.489 3.635 20 0 GHADHM Cc1cc(O)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)cc1Br ZINC001189317936 916549586 /nfs/dbraw/zinc/54/95/86/916549586.db2.gz PYKVZGXNXRAQEO-UHFFFAOYSA-N -1 3 392.221 3.683 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1F ZINC001189387848 916584638 /nfs/dbraw/zinc/58/46/38/916584638.db2.gz BVKRXSODIUVAMA-UHFFFAOYSA-N -1 3 395.358 3.845 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cncc(OCc2ccccc2)c1 ZINC001189650379 916812039 /nfs/dbraw/zinc/81/20/39/916812039.db2.gz BKUZWVOKVJEHFR-UHFFFAOYSA-N -1 3 390.411 3.881 20 0 GHADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1ccc(Br)cc1F ZINC001189655030 916814601 /nfs/dbraw/zinc/81/46/01/916814601.db2.gz DAWIDFKUGVIUQO-UHFFFAOYSA-N -1 3 384.270 3.813 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Cl)c1)c1cc(Br)ccc1Cl ZINC001189726954 916887122 /nfs/dbraw/zinc/88/71/22/916887122.db2.gz IOEJOVDIUXQGON-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1cc(Br)ccc1Cl ZINC001189765898 916902093 /nfs/dbraw/zinc/90/20/93/916902093.db2.gz RJUGZYZWSDHCFC-GXTWGEPZSA-N -1 3 386.698 3.937 20 0 GHADHM O=C(Nc1ccc(F)c2c1OCCC2=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766803 916903546 /nfs/dbraw/zinc/90/35/46/916903546.db2.gz SFHXRDYQOFUVLI-UHFFFAOYSA-N -1 3 385.269 3.647 20 0 GHADHM CSC(C)(C)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000775318612 916905542 /nfs/dbraw/zinc/90/55/42/916905542.db2.gz JHUXPMUNIWYCBI-UHFFFAOYSA-N -1 3 397.493 3.925 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000650455627 916991743 /nfs/dbraw/zinc/99/17/43/916991743.db2.gz IICQUYMVLZIADX-UHFFFAOYSA-N -1 3 376.237 3.966 20 0 GHADHM O=S(=O)([N-]c1cc(F)nc(F)c1Cl)c1cc(F)cc(C(F)(F)F)c1 ZINC001189957785 917021078 /nfs/dbraw/zinc/02/10/78/917021078.db2.gz VFTSJPIKMXQAQS-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000650505788 917042033 /nfs/dbraw/zinc/04/20/33/917042033.db2.gz QFQROULBDVPEOV-PBHICJAKSA-N -1 3 399.318 3.986 20 0 GHADHM COc1ccc2cccc(CCNC(=O)c3c([O-])cc(OC)cc3OC)c2c1 ZINC001190143440 917124461 /nfs/dbraw/zinc/12/44/61/917124461.db2.gz AWUXFIZSLPBRTC-UHFFFAOYSA-N -1 3 381.428 3.544 20 0 GHADHM CN(CC(=O)Nc1ccccc1Cl)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000038379382 917224965 /nfs/dbraw/zinc/22/49/65/917224965.db2.gz FNGLUHPGAGGVKO-UHFFFAOYSA-N -1 3 396.834 3.806 20 0 GHADHM CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000867059209 917256858 /nfs/dbraw/zinc/25/68/58/917256858.db2.gz SWYJTEQYYQJKLM-HNNXBMFYSA-N -1 3 388.395 3.542 20 0 GHADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(-c2cccnc2)no1 ZINC000362433993 917272046 /nfs/dbraw/zinc/27/20/46/917272046.db2.gz QXGFJYWCCHCSAB-OAHLLOKOSA-N -1 3 390.365 3.876 20 0 GHADHM O=S(=O)([N-]C1(CC2CCC2)CCOCC1)c1cc(C(F)(F)F)ccc1F ZINC001190350661 917278482 /nfs/dbraw/zinc/27/84/82/917278482.db2.gz QNSVULFIWUCWQB-UHFFFAOYSA-N -1 3 395.418 3.862 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc(C(F)(F)F)ccc1F ZINC001190350468 917278612 /nfs/dbraw/zinc/27/86/12/917278612.db2.gz JKCOHZZQCPWOQZ-VIFPVBQESA-N -1 3 375.334 3.948 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4ccc(C(C)=O)cc4CC3)nc2)n1 ZINC000362732479 917389000 /nfs/dbraw/zinc/38/90/00/917389000.db2.gz CCMKEAPDBIFHQL-UHFFFAOYSA-N -1 3 388.471 3.614 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)ccc1C ZINC001190601751 917442739 /nfs/dbraw/zinc/44/27/39/917442739.db2.gz FIKSGKISGVPPCR-ZDUSSCGKSA-N -1 3 381.881 3.783 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC001190602715 917443088 /nfs/dbraw/zinc/44/30/88/917443088.db2.gz WNJBIUZWBUEXHX-MRXNPFEDSA-N -1 3 397.855 3.622 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C2CC2)c1 ZINC001190696911 917487642 /nfs/dbraw/zinc/48/76/42/917487642.db2.gz NVQYYQLZDHCITP-GFCCVEGCSA-N -1 3 377.437 3.529 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1cccc(C2CC2)c1 ZINC001190698080 917489332 /nfs/dbraw/zinc/48/93/32/917489332.db2.gz ZTYUKTVAGISGMI-JTQLQIEISA-N -1 3 399.285 3.900 20 0 GHADHM CCOc1c(F)cc(C(=O)Nc2ncc([O-])cc2Br)cc1Cl ZINC001190730225 917534390 /nfs/dbraw/zinc/53/43/90/917534390.db2.gz YDAFILBVWMKXPD-UHFFFAOYSA-N -1 3 389.608 3.993 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(C(C)(C)O)cc3)cc2)cc(=O)[n-]1 ZINC000775418383 917626034 /nfs/dbraw/zinc/62/60/34/917626034.db2.gz XAQQCKRSPOEIDN-UHFFFAOYSA-N -1 3 392.459 3.707 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000651539711 917651057 /nfs/dbraw/zinc/65/10/57/917651057.db2.gz LLKSQPXJIJNVTG-QWRGUYRKSA-N -1 3 396.203 3.519 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c(F)c1 ZINC001190991474 917690028 /nfs/dbraw/zinc/69/00/28/917690028.db2.gz OEZOSWVTUMBJMS-UHFFFAOYSA-N -1 3 393.461 3.696 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2sc(Br)cc2C)o1 ZINC000651715562 917700432 /nfs/dbraw/zinc/70/04/32/917700432.db2.gz QVDUOOSIIFFYDG-UHFFFAOYSA-N -1 3 393.328 3.546 20 0 GHADHM CC(C)(C)c1noc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000363155791 917845427 /nfs/dbraw/zinc/84/54/27/917845427.db2.gz WOVBCIRCNLICHY-UHFFFAOYSA-N -1 3 392.887 3.577 20 0 GHADHM COC(=O)C[C@@](C)(NCc1cc(=O)oc2c(C)c([O-])ccc12)c1cccc(F)c1 ZINC000796501677 917868022 /nfs/dbraw/zinc/86/80/22/917868022.db2.gz YMOZTBUDFWSVFG-JOCHJYFZSA-N -1 3 399.418 3.514 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001191370355 917973042 /nfs/dbraw/zinc/97/30/42/917973042.db2.gz DJJOQMQCAOYIOD-UHFFFAOYSA-N -1 3 389.770 3.614 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC001191574831 918077946 /nfs/dbraw/zinc/07/79/46/918077946.db2.gz OMFCXAHOGSCGGT-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM COc1ccc(C(C)C)cc1S(=O)(=O)[N-][C@H](c1ccccn1)C(F)(F)F ZINC001191708803 918130825 /nfs/dbraw/zinc/13/08/25/918130825.db2.gz AFPKXQBXIIIQJC-MRXNPFEDSA-N -1 3 388.411 3.796 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1cnc(Br)o1 ZINC001191714217 918137381 /nfs/dbraw/zinc/13/73/81/918137381.db2.gz SZLXXNNZJQKPEV-UHFFFAOYSA-N -1 3 392.234 3.517 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(C)cc2)sc1Br ZINC001191701650 918168102 /nfs/dbraw/zinc/16/81/02/918168102.db2.gz BCWWIJGMAZVOAR-QWHCGFSZSA-N -1 3 386.336 3.962 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)cccc21 ZINC001191905044 918295829 /nfs/dbraw/zinc/29/58/29/918295829.db2.gz JFPXKYKUFMAHCK-KRWDZBQOSA-N -1 3 398.887 3.806 20 0 GHADHM CCOc1cc(CNc2cccc(C3CC(=O)NC(=O)C3)c2)cc(Cl)c1[O-] ZINC000297343467 919257531 /nfs/dbraw/zinc/25/75/31/919257531.db2.gz FIOYLSFOOONPPH-UHFFFAOYSA-N -1 3 388.851 3.577 20 0 GHADHM Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000015385988 919373331 /nfs/dbraw/zinc/37/33/31/919373331.db2.gz YDPHXSYREHXBIM-LLVKDONJSA-N -1 3 399.249 3.978 20 0 GHADHM O=C([N-]NC(=S)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000016240315 919415703 /nfs/dbraw/zinc/41/57/03/919415703.db2.gz FKVSVCDTPQULKC-UHFFFAOYSA-N -1 3 376.215 3.903 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1cccc(Cl)c1Cl ZINC000800262014 919799002 /nfs/dbraw/zinc/79/90/02/919799002.db2.gz AXUYSUQXTPBHLT-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1cccc(Cl)c1Cl ZINC000800262014 919799010 /nfs/dbraw/zinc/79/90/10/919799010.db2.gz AXUYSUQXTPBHLT-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1cccc(Cl)c1Cl ZINC000800262014 919799011 /nfs/dbraw/zinc/79/90/11/919799011.db2.gz AXUYSUQXTPBHLT-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM CC(C)c1ccc(-c2noc(COC(=O)c3cc(F)cc4[n-]nnc43)n2)cc1 ZINC000800263238 919801697 /nfs/dbraw/zinc/80/16/97/919801697.db2.gz UOIUIRRPTDYQPU-UHFFFAOYSA-N -1 3 381.367 3.627 20 0 GHADHM CC(C)c1ccc(-c2noc(COC(=O)c3cc(F)cc4nn[n-]c43)n2)cc1 ZINC000800263238 919801707 /nfs/dbraw/zinc/80/17/07/919801707.db2.gz UOIUIRRPTDYQPU-UHFFFAOYSA-N -1 3 381.367 3.627 20 0 GHADHM CC(C)c1ccc(-c2noc(COC(=O)c3cc(F)cc4n[n-]nc43)n2)cc1 ZINC000800263238 919801718 /nfs/dbraw/zinc/80/17/18/919801718.db2.gz UOIUIRRPTDYQPU-UHFFFAOYSA-N -1 3 381.367 3.627 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800263483 919806897 /nfs/dbraw/zinc/80/68/97/919806897.db2.gz ZPMBGFVGMOHIBJ-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800263483 919806909 /nfs/dbraw/zinc/80/69/09/919806909.db2.gz ZPMBGFVGMOHIBJ-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800263483 919806921 /nfs/dbraw/zinc/80/69/21/919806921.db2.gz ZPMBGFVGMOHIBJ-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM Cc1nc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)sc1C(=O)[O-] ZINC000900942692 920751715 /nfs/dbraw/zinc/75/17/15/920751715.db2.gz UXDLQUZVADWKLG-ZDUSSCGKSA-N -1 3 385.411 3.855 20 0 GHADHM Cc1cc(C)nc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000801168882 920814698 /nfs/dbraw/zinc/81/46/98/920814698.db2.gz LSZJMWOAECPUIT-UHFFFAOYSA-N -1 3 387.867 3.548 20 0 GHADHM CCCC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000901428786 921097492 /nfs/dbraw/zinc/09/74/92/921097492.db2.gz OCBVNQNOCUPJAK-MRXNPFEDSA-N -1 3 384.476 3.773 20 0 GHADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000902139494 921908445 /nfs/dbraw/zinc/90/84/45/921908445.db2.gz MUCWQEHDVATRLW-VIFPVBQESA-N -1 3 392.809 3.771 20 0 GHADHM CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902201800 921980626 /nfs/dbraw/zinc/98/06/26/921980626.db2.gz OTSODCKIQMHTSG-MRXNPFEDSA-N -1 3 380.916 3.947 20 0 GHADHM O=C([O-])/C=C/c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000902256469 922036537 /nfs/dbraw/zinc/03/65/37/922036537.db2.gz PYOXNUDNYIDWBW-HSBSLETESA-N -1 3 380.366 3.765 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCC3(CCOCC3)CO2)o1 ZINC000902503625 922243134 /nfs/dbraw/zinc/24/31/34/922243134.db2.gz WWNAQFRYKMPOLF-INIZCTEOSA-N -1 3 385.460 3.710 20 0 GHADHM CO[C@@H]1CCN(Cc2cc(Br)c3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC000903609124 923123835 /nfs/dbraw/zinc/12/38/35/923123835.db2.gz UGTOFNPSBYNKGB-RHSMWYFYSA-N -1 3 378.266 3.666 20 0 GHADHM COc1ccccc1-c1nc(C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)no1 ZINC000903685677 923199583 /nfs/dbraw/zinc/19/95/83/923199583.db2.gz XUDABVPPVAAJKJ-UHFFFAOYSA-N -1 3 399.472 3.885 20 0 GHADHM Cc1csc(C[C@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000903934934 923409383 /nfs/dbraw/zinc/40/93/83/923409383.db2.gz FZCWKJZXPUFKJA-CYBMUJFWSA-N -1 3 380.897 3.747 20 0 GHADHM CN(CCOCC(=O)[O-])Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000903946909 923429357 /nfs/dbraw/zinc/42/93/57/923429357.db2.gz OORAFJMSURXQKZ-UHFFFAOYSA-N -1 3 379.456 3.952 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3cc(Br)ccc3[nH]2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903949308 923431519 /nfs/dbraw/zinc/43/15/19/923431519.db2.gz ADTCXZGMJPBCFW-INLINHOESA-N -1 3 380.286 3.645 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2cc3c(cc2Br)OCCO3)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903949207 923431936 /nfs/dbraw/zinc/43/19/36/923431936.db2.gz KNGULDWOKZNVCK-XSLLRJJBSA-N -1 3 398.297 3.540 20 0 GHADHM Cc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000748323904 923576544 /nfs/dbraw/zinc/57/65/44/923576544.db2.gz SBKOVYNBTTYQLV-ZDUSSCGKSA-N -1 3 390.867 3.928 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748478191 923664169 /nfs/dbraw/zinc/66/41/69/923664169.db2.gz WDENRSXZJMKSOB-UHFFFAOYSA-N -1 3 388.178 3.642 20 0 GHADHM O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000676773643 924067607 /nfs/dbraw/zinc/06/76/07/924067607.db2.gz ADFYRACEGATOIR-UHFFFAOYSA-N -1 3 395.846 3.613 20 0 GHADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000676862824 924114490 /nfs/dbraw/zinc/11/44/90/924114490.db2.gz VAZPCHBSLDWMHI-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM COc1cc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)cc(OC)c1[O-] ZINC000370629907 924217863 /nfs/dbraw/zinc/21/78/63/924217863.db2.gz DUTBAQDWVQLBEL-UHFFFAOYSA-N -1 3 375.371 3.617 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1c1cccc(Cl)c1 ZINC000677212224 924286223 /nfs/dbraw/zinc/28/62/23/924286223.db2.gz PUAJJXQPAWUIDM-SUMWQHHRSA-N -1 3 379.243 3.857 20 0 GHADHM Cc1occc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000678070113 924598102 /nfs/dbraw/zinc/59/81/02/924598102.db2.gz NLQGQWJNLLXITO-UHFFFAOYSA-N -1 3 382.638 3.622 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cnccc2C)s1 ZINC000678357175 924740909 /nfs/dbraw/zinc/74/09/09/924740909.db2.gz HVHGWBAPEOMKDV-SNVBAGLBSA-N -1 3 375.313 3.562 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)sc1Br ZINC000409913618 925110807 /nfs/dbraw/zinc/11/08/07/925110807.db2.gz YGKKHSMRFTZUSQ-UHFFFAOYSA-N -1 3 388.299 3.923 20 0 GHADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1ccc(F)cc1C(F)(F)F ZINC000409899629 925118129 /nfs/dbraw/zinc/11/81/29/925118129.db2.gz TXEAMCBCHGPYES-UHFFFAOYSA-N -1 3 386.370 3.847 20 0 GHADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1ccc(Br)s1 ZINC000409922205 925139865 /nfs/dbraw/zinc/13/98/65/925139865.db2.gz LMNLVGJXCWAYQX-UHFFFAOYSA-N -1 3 385.308 3.513 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2F)n1 ZINC000410053653 925275888 /nfs/dbraw/zinc/27/58/88/925275888.db2.gz GYRYJYRJDVPTCQ-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1OC ZINC000410352695 925562282 /nfs/dbraw/zinc/56/22/82/925562282.db2.gz ISMGRFLQBHPMAW-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM Cc1nc([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)no1 ZINC000372969894 925792256 /nfs/dbraw/zinc/79/22/56/925792256.db2.gz ZNYIKQIZUWKGNN-HNNXBMFYSA-N -1 3 378.215 3.910 20 0 GHADHM CCCCC[C@](C)(CC)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000373073112 925844082 /nfs/dbraw/zinc/84/40/82/925844082.db2.gz BEVOLHAFKAPSEU-FQEVSTJZSA-N -1 3 378.517 3.684 20 0 GHADHM CCCCC[C@](C)(CC)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000373073112 925844087 /nfs/dbraw/zinc/84/40/87/925844087.db2.gz BEVOLHAFKAPSEU-FQEVSTJZSA-N -1 3 378.517 3.684 20 0 GHADHM CO[C@@]1(C(F)(F)F)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000682038138 925989034 /nfs/dbraw/zinc/98/90/34/925989034.db2.gz CGVXEGYXUCTSPS-KRWDZBQOSA-N -1 3 381.354 3.625 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCc2ccccc2)c1)c1cccnc1Cl ZINC000388428398 926381287 /nfs/dbraw/zinc/38/12/87/926381287.db2.gz SGFDQAZINVYCHT-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000725819672 926456731 /nfs/dbraw/zinc/45/67/31/926456731.db2.gz VIMJMSSZINPZKX-GFCCVEGCSA-N -1 3 389.304 3.835 20 0 GHADHM CC(C)COC(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000725898479 926482883 /nfs/dbraw/zinc/48/28/83/926482883.db2.gz OMAKSLNHKLVVIQ-UHFFFAOYSA-N -1 3 396.487 3.533 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000749959752 927371935 /nfs/dbraw/zinc/37/19/35/927371935.db2.gz PKZKIOHHKDPUJC-AEFFLSMTSA-N -1 3 388.508 3.952 20 0 GHADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000751222969 928079067 /nfs/dbraw/zinc/07/90/67/928079067.db2.gz QYBYHXDBFCEFEZ-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1F ZINC000751262651 928098967 /nfs/dbraw/zinc/09/89/67/928098967.db2.gz KQEPHTBYDGCKLB-LBPRGKRZSA-N -1 3 397.777 3.510 20 0 GHADHM CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000751285362 928112066 /nfs/dbraw/zinc/11/20/66/928112066.db2.gz VASOVJZYGRDUOO-SREVYHEPSA-N -1 3 386.807 3.989 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2C)c(C)o1 ZINC000751348151 928147124 /nfs/dbraw/zinc/14/71/24/928147124.db2.gz AWTBACLCZWABND-UHFFFAOYSA-N -1 3 384.457 3.724 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc2ccccc2s1)c1ccc(Cl)cc1F ZINC000751499064 928222665 /nfs/dbraw/zinc/22/26/65/928222665.db2.gz VPHARZZXUBVMHU-ZDUSSCGKSA-N -1 3 385.869 3.706 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731823 928354649 /nfs/dbraw/zinc/35/46/49/928354649.db2.gz NYSUIRSPBLYLRM-AWEZNQCLSA-N -1 3 397.855 3.939 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc4[nH]c(=O)oc43)nc(=O)c2c1C ZINC000751937154 928494244 /nfs/dbraw/zinc/49/42/44/928494244.db2.gz BWDFQNCDGXRREK-QMMMGPOBSA-N -1 3 385.401 3.779 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(F)ccc3Cl)co2)cc1 ZINC000466920830 928506077 /nfs/dbraw/zinc/50/60/77/928506077.db2.gz SWMITSQSVJUJIJ-UHFFFAOYSA-N -1 3 380.828 3.921 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)[C@H](O)c3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000751996022 928537211 /nfs/dbraw/zinc/53/72/11/928537211.db2.gz UTEIWIRVCLKWTL-ODXCJYRJSA-N -1 3 396.422 3.540 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c(C)c1 ZINC000467088307 928683688 /nfs/dbraw/zinc/68/36/88/928683688.db2.gz GIGOVKKGRFCDLV-UHFFFAOYSA-N -1 3 377.462 3.680 20 0 GHADHM O=C(CCCCC[N-]S(=O)(=O)c1ccc(F)cc1F)OCc1ccccc1 ZINC000752261905 928718309 /nfs/dbraw/zinc/71/83/09/928718309.db2.gz MGNFZNCWBCJMEA-UHFFFAOYSA-N -1 3 397.443 3.547 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)c1nccs1 ZINC000544175635 928890912 /nfs/dbraw/zinc/89/09/12/928890912.db2.gz OKVYRERDZHHJSE-JTQLQIEISA-N -1 3 395.731 3.989 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c(F)c1 ZINC000467305192 928940002 /nfs/dbraw/zinc/94/00/02/928940002.db2.gz BGPFWJABESOQJP-UHFFFAOYSA-N -1 3 376.453 3.773 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(I)ccc2Cl)n1 ZINC000544326116 929055130 /nfs/dbraw/zinc/05/51/30/929055130.db2.gz VDDLABDDXOJMSL-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc([C@H](O)c3ccccn3)ccc2C)cc1C ZINC000753015250 929157709 /nfs/dbraw/zinc/15/77/09/929157709.db2.gz KDXRGRFGUCFRTP-NRFANRHFSA-N -1 3 398.484 3.590 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC000753232246 929263111 /nfs/dbraw/zinc/26/31/11/929263111.db2.gz XKTXXZXCECUAMG-SZMVWBNQSA-N -1 3 388.508 3.720 20 0 GHADHM COc1cccc(-c2noc(SCC(=O)Nc3ccc(Cl)cc3[O-])n2)c1 ZINC000544552460 929279789 /nfs/dbraw/zinc/27/97/89/929279789.db2.gz KRYSJGAKBUTZEJ-UHFFFAOYSA-N -1 3 391.836 3.835 20 0 GHADHM O=C(CCC(=O)c1ccc(F)cc1F)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467710727 929325069 /nfs/dbraw/zinc/32/50/69/929325069.db2.gz MEASZEWZFDBERO-UHFFFAOYSA-N -1 3 391.324 3.657 20 0 GHADHM CC(C)NC(=O)Nc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467720812 929337544 /nfs/dbraw/zinc/33/75/44/929337544.db2.gz PWRMGZJSDKZFEO-UHFFFAOYSA-N -1 3 399.401 3.559 20 0 GHADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc3c2N1CCC3 ZINC000544615732 929348876 /nfs/dbraw/zinc/34/88/76/929348876.db2.gz ZLWBBDPGBSFWFJ-UHFFFAOYSA-N -1 3 394.855 3.505 20 0 GHADHM COc1cc(C(=O)N2CCCc3c([nH]c4c3cccc4F)C2)cc(OC)c1[O-] ZINC000467799420 929436581 /nfs/dbraw/zinc/43/65/81/929436581.db2.gz RQVLDNHUQGFAOM-UHFFFAOYSA-N -1 3 384.407 3.618 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000467920186 929591129 /nfs/dbraw/zinc/59/11/29/929591129.db2.gz RWRIMUPNFKCAFZ-UHFFFAOYSA-N -1 3 375.734 3.703 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1n[n-]c(-c2ccccc2)c1Br ZINC000757725990 929783574 /nfs/dbraw/zinc/78/35/74/929783574.db2.gz CUQLBXUPQXHXDF-UHFFFAOYSA-N -1 3 381.123 3.896 20 0 GHADHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469400925 929851521 /nfs/dbraw/zinc/85/15/21/929851521.db2.gz AJLYYBXQWGWVGY-PKOBYXMFSA-N -1 3 391.483 3.824 20 0 GHADHM CCN(C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1)CC(F)(F)F ZINC000469405946 929855503 /nfs/dbraw/zinc/85/55/03/929855503.db2.gz MVOTZKUEHBRTLL-HNNXBMFYSA-N -1 3 390.421 3.587 20 0 GHADHM C[C@@H](COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])CS(C)(=O)=O ZINC000758048057 929903250 /nfs/dbraw/zinc/90/32/50/929903250.db2.gz PJMDKONHTQMIHL-LBPRGKRZSA-N -1 3 382.865 3.550 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000546178697 929931116 /nfs/dbraw/zinc/93/11/16/929931116.db2.gz TZYQSVPTCUFOBD-LBPRGKRZSA-N -1 3 399.255 3.688 20 0 GHADHM CC(C)C[C@H](C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)N[C@H](C)c1ccccc1 ZINC000546764879 930414946 /nfs/dbraw/zinc/41/49/46/930414946.db2.gz VASWBMIDCJKQQK-IJEWVQPXSA-N -1 3 380.476 3.622 20 0 GHADHM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000546782362 930431444 /nfs/dbraw/zinc/43/14/44/930431444.db2.gz QIRUVOYZUJBYBK-AWEZNQCLSA-N -1 3 379.453 3.595 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000759767805 930483199 /nfs/dbraw/zinc/48/31/99/930483199.db2.gz YGDMWUFMOBCQKL-UHFFFAOYSA-N -1 3 397.393 3.946 20 0 GHADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cc(Cl)cc(Cl)c1 ZINC000470263931 930497164 /nfs/dbraw/zinc/49/71/64/930497164.db2.gz MYMYSPAHYRAKLF-UHFFFAOYSA-N -1 3 387.223 3.718 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000470579711 930727528 /nfs/dbraw/zinc/72/75/28/930727528.db2.gz YMBBUMNWZCTYRA-AWEZNQCLSA-N -1 3 390.480 3.935 20 0 GHADHM COc1ccc2cccc(Cc3noc(Cc4c(C)nc(C)[n-]c4=O)n3)c2c1 ZINC000547146958 930737334 /nfs/dbraw/zinc/73/73/34/930737334.db2.gz OMSFQSGUAFXMNP-UHFFFAOYSA-N -1 3 376.416 3.525 20 0 GHADHM CCOC(=O)N1CCc2c(sc3[n-]c(-c4cc(C)cc(C)n4)nc(=O)c23)C1 ZINC000781555830 930885388 /nfs/dbraw/zinc/88/53/88/930885388.db2.gz GUXOPURYCREZFL-UHFFFAOYSA-N -1 3 384.461 3.590 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)C2)C1 ZINC000781749138 930960472 /nfs/dbraw/zinc/96/04/72/930960472.db2.gz LQBAYIXMOKLQGO-JLTOFOAXSA-N -1 3 396.528 3.555 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)c1nc(-c2ccc(C(F)(F)F)s2)no1 ZINC000924171674 931253033 /nfs/dbraw/zinc/25/30/33/931253033.db2.gz QYWCNVKUXNBNTM-LLVKDONJSA-N -1 3 395.428 3.596 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)on2)cc1 ZINC000782780741 931334592 /nfs/dbraw/zinc/33/45/92/931334592.db2.gz QPGMSYTWVDVNDQ-UHFFFAOYSA-N -1 3 377.356 3.763 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1noc(-c2ccccc2[O-])n1 ZINC000783304260 931515936 /nfs/dbraw/zinc/51/59/36/931515936.db2.gz HEYWKPZDBRHTJX-UHFFFAOYSA-N -1 3 388.807 3.998 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(OCc2ccccn2)c1 ZINC000557549444 931535763 /nfs/dbraw/zinc/53/57/63/931535763.db2.gz DBUBPEWLKPWVCS-AWEZNQCLSA-N -1 3 390.443 3.525 20 0 GHADHM COc1cc(C(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc(OC)c1[O-] ZINC000557629328 931582532 /nfs/dbraw/zinc/58/25/32/931582532.db2.gz KTEROQICZMTKBC-QGZVFWFLSA-N -1 3 394.349 3.924 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cccc2n[n-]nc21 ZINC000783665598 931612297 /nfs/dbraw/zinc/61/22/97/931612297.db2.gz YXIWVRMCDIXNOW-UHFFFAOYSA-N -1 3 379.420 3.508 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783839925 931685994 /nfs/dbraw/zinc/68/59/94/931685994.db2.gz WXJCYZOKAYURRB-UHFFFAOYSA-N -1 3 381.432 3.952 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783880544 931702383 /nfs/dbraw/zinc/70/23/83/931702383.db2.gz IMHLFMJHCFMMSZ-UHFFFAOYSA-N -1 3 377.356 3.763 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(N2CCCCC2)cc1 ZINC000783959295 931731557 /nfs/dbraw/zinc/73/15/57/931731557.db2.gz IRVLIVBTYDTYDF-UHFFFAOYSA-N -1 3 379.416 3.790 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(F)cc1C(F)(F)F ZINC000784216914 931819432 /nfs/dbraw/zinc/81/94/32/931819432.db2.gz BKTGDXVQXGMKDN-UHFFFAOYSA-N -1 3 382.269 3.957 20 0 GHADHM Cc1ccc(Br)cc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000784615308 931957737 /nfs/dbraw/zinc/95/77/37/931957737.db2.gz PMZBGHKLVQWRTC-UHFFFAOYSA-N -1 3 378.270 3.615 20 0 GHADHM Cc1ccc(NC(=O)Cc2noc(-c3ccc4c(c3[O-])OC(C)(C)C4)n2)cc1 ZINC000558462027 932015179 /nfs/dbraw/zinc/01/51/79/932015179.db2.gz HWTUYVWHRLHORD-UHFFFAOYSA-N -1 3 379.416 3.645 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000797434039 932282985 /nfs/dbraw/zinc/28/29/85/932282985.db2.gz XPMPHBPKJODYES-UHFFFAOYSA-N -1 3 388.533 3.866 20 0 GHADHM CC[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000798094949 932530410 /nfs/dbraw/zinc/53/04/10/932530410.db2.gz MBRMGRNBJWDGCH-PIGZYNQJSA-N -1 3 396.871 3.808 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000559627518 932761874 /nfs/dbraw/zinc/76/18/74/932761874.db2.gz RZIXRTWYWVTDRC-LJQANCHMSA-N -1 3 387.863 3.825 20 0 GHADHM C[C@]1([C@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)COC(=O)N1 ZINC000928025851 932769691 /nfs/dbraw/zinc/76/96/91/932769691.db2.gz OFTRCGCYCBVAIC-OYHNWAKOSA-N -1 3 396.443 3.535 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000928109899 932801827 /nfs/dbraw/zinc/80/18/27/932801827.db2.gz FBFAJFJFJNLWHJ-UHFFFAOYSA-N -1 3 385.485 3.698 20 0 GHADHM C/C(=C/C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000799021879 932854552 /nfs/dbraw/zinc/85/45/52/932854552.db2.gz SIVMQNNCCSOFLF-XFXZXTDPSA-N -1 3 388.817 3.660 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)Cc1ccc2ccccc2c1 ZINC000559801241 932866735 /nfs/dbraw/zinc/86/67/35/932866735.db2.gz BJRZEMAANHISBH-QGZVFWFLSA-N -1 3 397.858 3.961 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000799090100 932874479 /nfs/dbraw/zinc/87/44/79/932874479.db2.gz GANTYNKCSVPRFQ-UHFFFAOYSA-N -1 3 387.823 3.579 20 0 GHADHM CCCCc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799204443 932914885 /nfs/dbraw/zinc/91/48/85/932914885.db2.gz FAPZAVMGOBCCAC-UHFFFAOYSA-N -1 3 385.430 3.952 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799784071 933118008 /nfs/dbraw/zinc/11/80/08/933118008.db2.gz OAUREFLMBLTGLW-HNNXBMFYSA-N -1 3 376.497 3.722 20 0 GHADHM CCc1cc2c(CN3CCc4cc(OC)c(F)cc4C3)cc(=O)oc2cc1[O-] ZINC000777744741 933223825 /nfs/dbraw/zinc/22/38/25/933223825.db2.gz LJYVJKRIVYISOA-UHFFFAOYSA-N -1 3 383.419 3.767 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000560640391 933414193 /nfs/dbraw/zinc/41/41/93/933414193.db2.gz YFXPFPJSEFIWOZ-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000560640391 933414199 /nfs/dbraw/zinc/41/41/99/933414199.db2.gz YFXPFPJSEFIWOZ-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)sc1Cl ZINC001116738844 933729268 /nfs/dbraw/zinc/72/92/68/933729268.db2.gz OKVGAKRCJOCORT-UKRRQHHQSA-N -1 3 388.917 3.573 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)cc2n(C)c1=O ZINC001117691137 933984631 /nfs/dbraw/zinc/98/46/31/933984631.db2.gz JGRYRMPPXTWOOA-UHFFFAOYSA-N -1 3 393.487 3.550 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)s2)cs1 ZINC001118440592 934170406 /nfs/dbraw/zinc/17/04/06/934170406.db2.gz JGFUAUNRSPBDNW-MXWKQRLJSA-N -1 3 390.502 3.892 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120716819 934498833 /nfs/dbraw/zinc/49/88/33/934498833.db2.gz MYOZWPMETUQAMK-UWVGGRQHSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1ccccc1[C@H](c1noc(-c2cncc([N-]S(C)(=O)=O)c2)n1)C(C)C ZINC000561941116 934574896 /nfs/dbraw/zinc/57/48/96/934574896.db2.gz MAIDBTHPJGRGLY-QGZVFWFLSA-N -1 3 386.477 3.599 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000931624384 934649578 /nfs/dbraw/zinc/64/95/78/934649578.db2.gz OQCLMKGBSICUTN-IYBDPMFKSA-N -1 3 385.489 3.588 20 0 GHADHM COc1cccc(OC)c1OC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000562065444 934668496 /nfs/dbraw/zinc/66/84/96/934668496.db2.gz KSMBQZNQXYUNGT-UHFFFAOYSA-N -1 3 391.851 3.746 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1cccc(Br)c1)C1CC1 ZINC000562295088 934809801 /nfs/dbraw/zinc/80/98/01/934809801.db2.gz HIXXRKBNDJTDOQ-UHFFFAOYSA-N -1 3 385.265 3.715 20 0 GHADHM CCC[C@@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001122079702 934816682 /nfs/dbraw/zinc/81/66/82/934816682.db2.gz QRGXERAOHBOFJA-QGZVFWFLSA-N -1 3 378.480 3.566 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000187420741 934821023 /nfs/dbraw/zinc/82/10/23/934821023.db2.gz HEMQBUNTQDMXIZ-UHFFFAOYSA-N -1 3 392.330 3.824 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)cc1C ZINC000562449859 934870079 /nfs/dbraw/zinc/87/00/79/934870079.db2.gz LTPZMPMSVMAIEU-UHFFFAOYSA-N -1 3 375.490 3.988 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3coc4ccc(C(C)C)cc34)CC2)n1 ZINC001123959873 935324182 /nfs/dbraw/zinc/32/41/82/935324182.db2.gz CXPAMUMIRWMPRF-UHFFFAOYSA-N -1 3 394.475 3.759 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC001124047769 935335386 /nfs/dbraw/zinc/33/53/86/935335386.db2.gz DVMGAYDKCICGCA-INIZCTEOSA-N -1 3 390.487 3.533 20 0 GHADHM Cc1cccc(OCCCCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001137599078 935613872 /nfs/dbraw/zinc/61/38/72/935613872.db2.gz ZZIOQINIDDQDSH-INIZCTEOSA-N -1 3 380.485 3.505 20 0 GHADHM COc1ccc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)c([O-])c1 ZINC001137636027 935651135 /nfs/dbraw/zinc/65/11/35/935651135.db2.gz CBEGJWAQCOQTLT-UHFFFAOYSA-N -1 3 385.247 3.690 20 0 GHADHM Cc1cc(C2CCN(C(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)CC2)[nH]n1 ZINC001137850919 935824652 /nfs/dbraw/zinc/82/46/52/935824652.db2.gz BDPYZCVTWCSQSS-UHFFFAOYSA-N -1 3 391.497 3.541 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(OC2CC2)cc1 ZINC000829673909 935843341 /nfs/dbraw/zinc/84/33/41/935843341.db2.gz SPJWUBCXXRWRMI-UHFFFAOYSA-N -1 3 376.453 3.768 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)nn3)cc2)c([O-])c1 ZINC001137937604 935880497 /nfs/dbraw/zinc/88/04/97/935880497.db2.gz AVVINWYQQBQYKI-UHFFFAOYSA-N -1 3 377.400 3.587 20 0 GHADHM COc1ccccc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000830139769 935905564 /nfs/dbraw/zinc/90/55/64/935905564.db2.gz WJAVAIVRXIEZKN-MRXNPFEDSA-N -1 3 376.456 3.947 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2nccc3occc32)CC1 ZINC000830141420 935906096 /nfs/dbraw/zinc/90/60/96/935906096.db2.gz TUFZPBSPXDYGNN-UHFFFAOYSA-N -1 3 399.834 3.678 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001138014871 935928608 /nfs/dbraw/zinc/92/86/08/935928608.db2.gz GKPPSJAEJZXMBF-UHFFFAOYSA-N -1 3 380.354 3.899 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC001138016136 935929495 /nfs/dbraw/zinc/92/94/95/935929495.db2.gz HPAJQVXWCOZZSF-VIFPVBQESA-N -1 3 381.429 3.826 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(OCc2ccccc2)ccn1 ZINC000830424790 935943247 /nfs/dbraw/zinc/94/32/47/935943247.db2.gz JGAGVJBCFGAGTB-MRXNPFEDSA-N -1 3 382.445 3.616 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908885206 939345400 /nfs/dbraw/zinc/34/54/00/939345400.db2.gz TUKZRCKQTSPNHV-LSTHTHJFSA-N -1 3 387.524 3.545 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOC23CCCCC3)c1 ZINC001573279360 946637692 /nfs/dbraw/zinc/63/76/92/946637692.db2.gz GQGVGICSQSNTGG-CQSZACIVSA-N -1 3 378.274 3.533 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOC23CCCCC3)c1 ZINC001573279360 946637695 /nfs/dbraw/zinc/63/76/95/946637695.db2.gz GQGVGICSQSNTGG-CQSZACIVSA-N -1 3 378.274 3.533 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001573550538 946865002 /nfs/dbraw/zinc/86/50/02/946865002.db2.gz AZMGAKVVKNOMOQ-AAEUAGOBSA-N -1 3 395.385 3.767 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001573550538 946865013 /nfs/dbraw/zinc/86/50/13/946865013.db2.gz AZMGAKVVKNOMOQ-AAEUAGOBSA-N -1 3 395.385 3.767 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1c(Cl)cccc1Cl ZINC001573605284 947530065 /nfs/dbraw/zinc/53/00/65/947530065.db2.gz VABRXSQEOUJPAC-SECBINFHSA-N -1 3 396.303 3.997 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1c(Cl)cccc1Cl ZINC001573605284 947530076 /nfs/dbraw/zinc/53/00/76/947530076.db2.gz VABRXSQEOUJPAC-SECBINFHSA-N -1 3 396.303 3.997 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573366351 947740903 /nfs/dbraw/zinc/74/09/03/947740903.db2.gz PKUFENZWABFYKB-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573366351 947740913 /nfs/dbraw/zinc/74/09/13/947740913.db2.gz PKUFENZWABFYKB-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001573756217 948800697 /nfs/dbraw/zinc/80/06/97/948800697.db2.gz OEVTUAOKHFDILO-ZDUSSCGKSA-N -1 3 392.488 3.540 20 0 GHADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001573756217 948800713 /nfs/dbraw/zinc/80/07/13/948800713.db2.gz OEVTUAOKHFDILO-ZDUSSCGKSA-N -1 3 392.488 3.540 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575503222 949041196 /nfs/dbraw/zinc/04/11/96/949041196.db2.gz KFQQZLRHYYHHNQ-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575503222 949041217 /nfs/dbraw/zinc/04/12/17/949041217.db2.gz KFQQZLRHYYHHNQ-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C(F)F)ccc1F ZINC001575504313 949068584 /nfs/dbraw/zinc/06/85/84/949068584.db2.gz PYBOYTGCCPTSDT-SNVBAGLBSA-N -1 3 375.354 3.777 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C(F)F)ccc1F ZINC001575504313 949068600 /nfs/dbraw/zinc/06/86/00/949068600.db2.gz PYBOYTGCCPTSDT-SNVBAGLBSA-N -1 3 375.354 3.777 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575512480 949138248 /nfs/dbraw/zinc/13/82/48/949138248.db2.gz NMBGOYIMYVLZNT-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575512480 949138261 /nfs/dbraw/zinc/13/82/61/949138261.db2.gz NMBGOYIMYVLZNT-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575251868 949152329 /nfs/dbraw/zinc/15/23/29/949152329.db2.gz OUBRJUOEVJRYAI-HOTGVXAUSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575251868 949152317 /nfs/dbraw/zinc/15/23/17/949152317.db2.gz OUBRJUOEVJRYAI-HOTGVXAUSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)c1cscc1-c1nnn[n-]1)c1ccccn1 ZINC001575515002 949176871 /nfs/dbraw/zinc/17/68/71/949176871.db2.gz DYDVTGUTRFTGHJ-ZDUSSCGKSA-N -1 3 376.445 3.731 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)c1cscc1-c1nn[n-]n1)c1ccccn1 ZINC001575515002 949176876 /nfs/dbraw/zinc/17/68/76/949176876.db2.gz DYDVTGUTRFTGHJ-ZDUSSCGKSA-N -1 3 376.445 3.731 20 0 GHADHM CC(C)[C@@H]1N(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC12CCCCC2 ZINC001574099885 949187062 /nfs/dbraw/zinc/18/70/62/949187062.db2.gz PPACEGNJTDRIAA-INIZCTEOSA-N -1 3 390.438 3.968 20 0 GHADHM CC(C)[C@@H]1N(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC12CCCCC2 ZINC001574099885 949187075 /nfs/dbraw/zinc/18/70/75/949187075.db2.gz PPACEGNJTDRIAA-INIZCTEOSA-N -1 3 390.438 3.968 20 0 GHADHM CC(C)[C@H]1CCc2nc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001574099873 949188086 /nfs/dbraw/zinc/18/80/86/949188086.db2.gz PEAVXKBDCWIZHK-HNNXBMFYSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)[C@H]1CCc2nc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001574099873 949188096 /nfs/dbraw/zinc/18/80/96/949188096.db2.gz PEAVXKBDCWIZHK-HNNXBMFYSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(C)(C)O3)c2-c2nnn[n-]2)C1 ZINC001574100271 949191701 /nfs/dbraw/zinc/19/17/01/949191701.db2.gz SPXLNBLFNODDIJ-AAEUAGOBSA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(C)(C)O3)c2-c2nn[n-]n2)C1 ZINC001574100271 949191712 /nfs/dbraw/zinc/19/17/12/949191712.db2.gz SPXLNBLFNODDIJ-AAEUAGOBSA-N -1 3 389.525 3.585 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001575515894 949200231 /nfs/dbraw/zinc/20/02/31/949200231.db2.gz MNNOBIYQBLJCPK-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001575515894 949200252 /nfs/dbraw/zinc/20/02/52/949200252.db2.gz MNNOBIYQBLJCPK-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)C1 ZINC001576152284 949249804 /nfs/dbraw/zinc/24/98/04/949249804.db2.gz IGRPKTCDAFWOGN-NWDGAFQWSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)C1 ZINC001576152284 949249824 /nfs/dbraw/zinc/24/98/24/949249824.db2.gz IGRPKTCDAFWOGN-NWDGAFQWSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001575521005 949253397 /nfs/dbraw/zinc/25/33/97/949253397.db2.gz CDPHIUGPVRPTKK-SNVBAGLBSA-N -1 3 397.439 3.840 20 0 GHADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001575521005 949253415 /nfs/dbraw/zinc/25/34/15/949253415.db2.gz CDPHIUGPVRPTKK-SNVBAGLBSA-N -1 3 397.439 3.840 20 0 GHADHM CC1=C(C)C[C@@](C)(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC001575860396 949297908 /nfs/dbraw/zinc/29/79/08/949297908.db2.gz GTGQAAFPVDMYSW-FQEVSTJZSA-N -1 3 395.442 3.657 20 0 GHADHM CC1=C(C)C[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CC1 ZINC001575861232 949317321 /nfs/dbraw/zinc/31/73/21/949317321.db2.gz QOXABDTWGNLSBW-LLVKDONJSA-N -1 3 381.358 3.840 20 0 GHADHM CC1=C(C)C[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001575861232 949317344 /nfs/dbraw/zinc/31/73/44/949317344.db2.gz QOXABDTWGNLSBW-LLVKDONJSA-N -1 3 381.358 3.840 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC2CCC1CC2 ZINC001575272495 949645040 /nfs/dbraw/zinc/64/50/40/949645040.db2.gz RFVWZWAMMUCPHY-QVUWHDNHSA-N -1 3 397.523 3.747 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC2CCC1CC2 ZINC001575272495 949645051 /nfs/dbraw/zinc/64/50/51/949645051.db2.gz RFVWZWAMMUCPHY-QVUWHDNHSA-N -1 3 397.523 3.747 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1 ZINC001589659096 949833607 /nfs/dbraw/zinc/83/36/07/949833607.db2.gz CBKOOISMBXIWIE-XLIONFOSSA-N -1 3 378.900 3.650 20 0 GHADHM C[C@]1(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCc2ccccc21 ZINC001575564619 949865343 /nfs/dbraw/zinc/86/53/43/949865343.db2.gz QRLCTOUUEZVBHM-REWPJTCUSA-N -1 3 387.487 3.655 20 0 GHADHM C[C@]1(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCc2ccccc21 ZINC001575564619 949865358 /nfs/dbraw/zinc/86/53/58/949865358.db2.gz QRLCTOUUEZVBHM-REWPJTCUSA-N -1 3 387.487 3.655 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](C)c2ccccc21 ZINC001576181947 950029171 /nfs/dbraw/zinc/02/91/71/950029171.db2.gz WTGKOVVRSLVOEY-YWZLYKJASA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](C)c2ccccc21 ZINC001576181947 950029193 /nfs/dbraw/zinc/02/91/93/950029193.db2.gz WTGKOVVRSLVOEY-YWZLYKJASA-N -1 3 391.475 3.811 20 0 GHADHM CC1(C)[C@H](c2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575623993 950659942 /nfs/dbraw/zinc/65/99/42/950659942.db2.gz MXNFXXPIOJGIND-INIZCTEOSA-N -1 3 397.429 3.753 20 0 GHADHM CC1(C)[C@H](c2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575623993 950659973 /nfs/dbraw/zinc/65/99/73/950659973.db2.gz MXNFXXPIOJGIND-INIZCTEOSA-N -1 3 397.429 3.753 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC001575626403 950709620 /nfs/dbraw/zinc/70/96/20/950709620.db2.gz ZNBYSZHKDYBYHR-CYBMUJFWSA-N -1 3 387.896 3.990 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC001575626403 950709635 /nfs/dbraw/zinc/70/96/35/950709635.db2.gz ZNBYSZHKDYBYHR-CYBMUJFWSA-N -1 3 387.896 3.990 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC001573881832 950756486 /nfs/dbraw/zinc/75/64/86/950756486.db2.gz IHUMZYFPJSHTPA-UHFFFAOYSA-N -1 3 375.476 3.969 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC001573881832 950756507 /nfs/dbraw/zinc/75/65/07/950756507.db2.gz IHUMZYFPJSHTPA-UHFFFAOYSA-N -1 3 375.476 3.969 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCC(F)(F)c2ccc(F)cc2)n1 ZINC001573881842 950760743 /nfs/dbraw/zinc/76/07/43/950760743.db2.gz IVHNDSHCBJYCGM-UHFFFAOYSA-N -1 3 377.370 3.869 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCC(F)(F)c2ccc(F)cc2)n1 ZINC001573881842 950760756 /nfs/dbraw/zinc/76/07/56/950760756.db2.gz IVHNDSHCBJYCGM-UHFFFAOYSA-N -1 3 377.370 3.869 20 0 GHADHM CC(C)CCC1CCN(C(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001574184739 950782283 /nfs/dbraw/zinc/78/22/83/950782283.db2.gz MJOITHXQYBMAGZ-UHFFFAOYSA-N -1 3 387.503 3.958 20 0 GHADHM CC(C)CCC1CCN(C(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001574184739 950782300 /nfs/dbraw/zinc/78/23/00/950782300.db2.gz MJOITHXQYBMAGZ-UHFFFAOYSA-N -1 3 387.503 3.958 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3ccc(F)cc3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576218817 950794870 /nfs/dbraw/zinc/79/48/70/950794870.db2.gz RQTDDSVVMQUOBO-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3ccc(F)cc3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576218817 950794879 /nfs/dbraw/zinc/79/48/79/950794879.db2.gz RQTDDSVVMQUOBO-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC001575187589 952442606 /nfs/dbraw/zinc/44/26/06/952442606.db2.gz DILVRPNWJZQLEA-CQSZACIVSA-N -1 3 397.910 3.836 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC001575187589 952442610 /nfs/dbraw/zinc/44/26/10/952442610.db2.gz DILVRPNWJZQLEA-CQSZACIVSA-N -1 3 397.910 3.836 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001575187599 952442632 /nfs/dbraw/zinc/44/26/32/952442632.db2.gz DIWVBCUWBFGDRV-HXPMCKFVSA-N -1 3 398.413 3.944 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001575187599 952442635 /nfs/dbraw/zinc/44/26/35/952442635.db2.gz DIWVBCUWBFGDRV-HXPMCKFVSA-N -1 3 398.413 3.944 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC001575188369 952447669 /nfs/dbraw/zinc/44/76/69/952447669.db2.gz HUJJTQJPLIOWNA-FQEVSTJZSA-N -1 3 380.427 3.539 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001575188369 952447673 /nfs/dbraw/zinc/44/76/73/952447673.db2.gz HUJJTQJPLIOWNA-FQEVSTJZSA-N -1 3 380.427 3.539 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001575191064 952466306 /nfs/dbraw/zinc/46/63/06/952466306.db2.gz WURBELZCFUSITO-AWEZNQCLSA-N -1 3 379.439 3.770 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001575191064 952466309 /nfs/dbraw/zinc/46/63/09/952466309.db2.gz WURBELZCFUSITO-AWEZNQCLSA-N -1 3 379.439 3.770 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001575191779 952469942 /nfs/dbraw/zinc/46/99/42/952469942.db2.gz ZFFNOYVUVSPQGY-OAHLLOKOSA-N -1 3 390.491 3.647 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001575191779 952469943 /nfs/dbraw/zinc/46/99/43/952469943.db2.gz ZFFNOYVUVSPQGY-OAHLLOKOSA-N -1 3 390.491 3.647 20 0 GHADHM O=C([O-])C1([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCCCCC1 ZINC001594882735 954438903 /nfs/dbraw/zinc/43/89/03/954438903.db2.gz PYNRAZNXYQNRBL-UHFFFAOYSA-N -1 3 387.461 3.924 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cc3cc(Br)ccc3o1)O2 ZINC001594905732 954674858 /nfs/dbraw/zinc/67/48/58/954674858.db2.gz RZFQQVRJQJRZAM-FHBSJOOWSA-N -1 3 394.265 3.697 20 0 GHADHM CC(C)c1ccccc1Nc1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000901423479 956306716 /nfs/dbraw/zinc/30/67/16/956306716.db2.gz FJYPPBWMJMVQFV-UHFFFAOYSA-N -1 3 383.492 3.642 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001340485850 957924095 /nfs/dbraw/zinc/92/40/95/957924095.db2.gz OKUFMXHNLNSZOT-UXHICEINSA-N -1 3 389.540 3.572 20 0 GHADHM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(-c2cnn(C)c2)c1 ZINC001261375013 960729457 /nfs/dbraw/zinc/72/94/57/960729457.db2.gz BVQJLRPQYSGHBK-UHFFFAOYSA-N -1 3 376.460 3.656 20 0 GHADHM C[C@@H](NCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000400934714 973331935 /nfs/dbraw/zinc/33/19/35/973331935.db2.gz MFCHCESPZJGKRO-CYBMUJFWSA-N -1 3 397.541 3.919 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(OC(F)F)cc1F ZINC001592269332 977527692 /nfs/dbraw/zinc/52/76/92/977527692.db2.gz QISPSRGMEJLALC-NSHDSACASA-N -1 3 396.365 3.632 20 0 GHADHM C[C@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccc(Br)cc1 ZINC001592710980 979200051 /nfs/dbraw/zinc/20/00/51/979200051.db2.gz ZXDLVJJYUJNARN-LLVKDONJSA-N -1 3 382.229 3.844 20 0 GHADHM CC[C@](NC[C@@H]1CN(c2ccccc2)C(=O)O1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595294455 980409317 /nfs/dbraw/zinc/40/93/17/980409317.db2.gz ZSQDLGNPGCRXJD-YLJYHZDGSA-N -1 3 388.851 3.645 20 0 GHADHM Cc1ccnc(C2CCN([C@H](C(=O)[O-])c3ccccc3Br)CC2)n1 ZINC000903963357 981078708 /nfs/dbraw/zinc/07/87/08/981078708.db2.gz XUXCEACHSBUUMW-INIZCTEOSA-N -1 3 390.281 3.553 20 0 GHADHM O=C(NCc1csc(Br)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001626056177 1014830608 /nfs/dbraw/zinc/83/06/08/1014830608.db2.gz TWXOKDVCPFOGQC-UHFFFAOYSA-N -1 3 397.681 3.936 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOc3cccc(F)c3C2)s1 ZINC001626075917 1014857276 /nfs/dbraw/zinc/85/72/76/1014857276.db2.gz PFVCQOILWCBQKX-UHFFFAOYSA-N -1 3 393.440 3.664 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595836663 982743425 /nfs/dbraw/zinc/74/34/25/982743425.db2.gz HSSXLOMBRCLXRR-IBGZPJMESA-N -1 3 388.895 3.780 20 0 GHADHM CCCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001595860521 982795870 /nfs/dbraw/zinc/79/58/70/982795870.db2.gz OKDMTGRBSOTIIL-JSNMRZPZSA-N -1 3 384.476 3.574 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001595862819 982800321 /nfs/dbraw/zinc/80/03/21/982800321.db2.gz MHLLNJNGROZJCG-OLZOCXBDSA-N -1 3 390.402 3.552 20 0 GHADHM CCN1CC[C@@H](NCc2cc(C(=O)[O-])ccc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596410308 984000416 /nfs/dbraw/zinc/00/04/16/984000416.db2.gz JYHGNXQNEZHELA-MJGOQNOKSA-N -1 3 396.384 3.866 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001599892032 984706332 /nfs/dbraw/zinc/70/63/32/984706332.db2.gz XYWFKHIUVDNMEH-YLJYHZDGSA-N -1 3 397.519 3.658 20 0 GHADHM CC(C)c1oc([C@@H]2CCCN2c2nc3[nH][n-]cc-3c(=N)n2)nc1-c1ccccc1 ZINC000544846874 1015094434 /nfs/dbraw/zinc/09/44/34/1015094434.db2.gz SHRZMWZSBHETDO-HNNXBMFYSA-N -1 3 389.463 3.837 20 0 GHADHM C[C@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001599927586 985232531 /nfs/dbraw/zinc/23/25/31/985232531.db2.gz DZZYODNEPHOLFB-QEORTHHSSA-N -1 3 399.318 3.700 20 0 GHADHM CCO[C@H]1C[C@](NCc2cc(Br)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839853 985520617 /nfs/dbraw/zinc/52/06/17/985520617.db2.gz VRICGHLUTHUMHD-BBRMVZONSA-N -1 3 390.705 3.851 20 0 GHADHM Cc1[nH]c(C(=O)[O-])cc1C(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC001599958369 985728201 /nfs/dbraw/zinc/72/82/01/985728201.db2.gz AKHGZBXJSMVQTD-UHFFFAOYSA-N -1 3 393.281 3.577 20 0 GHADHM CCOCc1ccccc1CN[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001596950713 986114312 /nfs/dbraw/zinc/11/43/12/986114312.db2.gz LFVKVCLHEPJFQW-KRWDZBQOSA-N -1 3 378.266 3.901 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001597022229 986419190 /nfs/dbraw/zinc/41/91/90/986419190.db2.gz PDCXLBASPBINJM-JOCHJYFZSA-N -1 3 397.475 3.570 20 0 GHADHM CCOc1cc(CN2CC[C@H](OCC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030457 986445359 /nfs/dbraw/zinc/44/53/59/986445359.db2.gz BVMSFBBYPVDQHZ-INIZCTEOSA-N -1 3 389.448 3.566 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001589439550 986775838 /nfs/dbraw/zinc/77/58/38/986775838.db2.gz YPOYYCNJSWGUCS-OPAMFIHVSA-N -1 3 382.460 3.993 20 0 GHADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589439556 986775873 /nfs/dbraw/zinc/77/58/73/986775873.db2.gz IDWGBSFXULOSJK-OSPHWJPCSA-N -1 3 388.467 3.895 20 0 GHADHM CS[C@H]1CC[C@@H](N(C)Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001599787760 987952190 /nfs/dbraw/zinc/95/21/90/987952190.db2.gz HPPQXCBZHKFBAE-MNOVXSKESA-N -1 3 398.326 3.670 20 0 GHADHM CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001597611884 988512081 /nfs/dbraw/zinc/51/20/81/988512081.db2.gz SDSHXDXUWHSIIQ-CQSZACIVSA-N -1 3 381.476 3.727 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001589994298 988911246 /nfs/dbraw/zinc/91/12/46/988911246.db2.gz KYVUDQNUPZNCEJ-JKSUJKDBSA-N -1 3 394.899 3.845 20 0 GHADHM CCc1oc(CN2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597797330 989360071 /nfs/dbraw/zinc/36/00/71/989360071.db2.gz XOJVGRQBTJFHDY-ZIAGYGMSSA-N -1 3 380.485 3.523 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001590223863 989593523 /nfs/dbraw/zinc/59/35/23/989593523.db2.gz LDUWTUBAQBKGFG-JOCHJYFZSA-N -1 3 399.491 3.586 20 0 GHADHM Cc1cc(F)ccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545085204 1015508885 /nfs/dbraw/zinc/50/88/85/1015508885.db2.gz JMHRPNFHUKCWMT-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598225395 990914160 /nfs/dbraw/zinc/91/41/60/990914160.db2.gz JLBWJJBTIFGTST-LEWJYISDSA-N -1 3 395.503 3.513 20 0 GHADHM COc1cccc2c1OC[C@@H](NCc1ccc(-c3ccccc3C(=O)[O-])o1)C2 ZINC001599693570 991110258 /nfs/dbraw/zinc/11/02/58/991110258.db2.gz MBGLTXSKSGVWNG-HNNXBMFYSA-N -1 3 379.412 3.747 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1F)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001598513775 992595262 /nfs/dbraw/zinc/59/52/62/992595262.db2.gz YDDBGYVTBFZULW-UHFFFAOYSA-N -1 3 380.460 3.603 20 0 GHADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(OCc2ccccn2)c1 ZINC001598523853 992693271 /nfs/dbraw/zinc/69/32/71/992693271.db2.gz IBRSWIVVKWOKOX-UHFFFAOYSA-N -1 3 392.455 3.756 20 0 GHADHM Cc1ccc(C(C)(C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cn1 ZINC000545346334 1015795092 /nfs/dbraw/zinc/79/50/92/1015795092.db2.gz RGJMCOXEFGELCP-UHFFFAOYSA-N -1 3 377.448 3.918 20 0 GHADHM C[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1OCC(=O)[O-] ZINC001593245693 994439117 /nfs/dbraw/zinc/43/91/17/994439117.db2.gz APBZEWMASWYTJD-LRDDRELGSA-N -1 3 383.366 3.553 20 0 GHADHM C[C@@](NCc1cccc2c1NCCC2)(C(=O)[O-])c1cccc(Br)c1 ZINC001593302928 994730384 /nfs/dbraw/zinc/73/03/84/994730384.db2.gz BXIKVMMHPHVYRO-IBGZPJMESA-N -1 3 389.293 3.897 20 0 GHADHM C[C@](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)(C(=O)[O-])c1ccccc1 ZINC001593312204 994796070 /nfs/dbraw/zinc/79/60/70/994796070.db2.gz QHPMBPUPMIHRNQ-LJQANCHMSA-N -1 3 389.377 3.981 20 0 GHADHM C[C@H](Oc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1)C(=O)[O-] ZINC001593617451 995852210 /nfs/dbraw/zinc/85/22/10/995852210.db2.gz IQIGFFSBEZPMST-KBXCAEBGSA-N -1 3 375.490 3.594 20 0 GHADHM C[C@@H](Oc1ccccc1CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1)C(=O)[O-] ZINC001593644911 995967929 /nfs/dbraw/zinc/96/79/29/995967929.db2.gz FEPPTEGPCUKUTI-CZUORRHYSA-N -1 3 392.858 3.700 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001593689179 996130873 /nfs/dbraw/zinc/13/08/73/996130873.db2.gz BVLSTSGFKLBIOZ-VLIAUNLRSA-N -1 3 378.469 3.762 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001593689485 996132999 /nfs/dbraw/zinc/13/29/99/996132999.db2.gz IUSDOLFEPFNWBH-VBKZILBWSA-N -1 3 378.469 3.762 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001593697317 996155832 /nfs/dbraw/zinc/15/58/32/996155832.db2.gz ILTMLQXIICDRDN-FFIVFUDGSA-N -1 3 377.456 3.641 20 0 GHADHM CC1(C)CCC[C@@H]1[C@@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001593898187 996760097 /nfs/dbraw/zinc/76/00/97/996760097.db2.gz TXDCLYICASJIIB-FVQBIDKESA-N -1 3 376.522 3.700 20 0 GHADHM CC1(C)CCC[C@@H]1N(CC(=O)Nc1cccc(C(=O)[O-])n1)Cc1ccccc1 ZINC001593903258 996772224 /nfs/dbraw/zinc/77/22/24/996772224.db2.gz ODUKKVMEANRJKW-SFHVURJKSA-N -1 3 381.476 3.799 20 0 GHADHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)cc(OC)c1 ZINC001599405522 997289182 /nfs/dbraw/zinc/28/91/82/997289182.db2.gz BKHVAISCSHWUPM-KRWDZBQOSA-N -1 3 394.265 3.724 20 0 GHADHM CC1(C)Cc2ccc(-c3nc(-c4ccnc(N5CCCC5)c4)no3)c([O-])c2O1 ZINC000545619172 1016121281 /nfs/dbraw/zinc/12/12/81/1016121281.db2.gz JRGIMTSCZZZYCN-UHFFFAOYSA-N -1 3 378.432 3.818 20 0 GHADHM COc1ccc([C@@H](N[C@@H](C(=O)[O-])c2cccc(Br)c2)C2CC2)cn1 ZINC001599526842 997575173 /nfs/dbraw/zinc/57/51/73/997575173.db2.gz FJFNVLLQKPITGD-DLBZAZTESA-N -1 3 391.265 3.719 20 0 GHADHM COC(=O)c1cc(CN(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc(C(=O)[O-])c1 ZINC001598927753 997681706 /nfs/dbraw/zinc/68/17/06/997681706.db2.gz DBOHZLWMIVQOAI-WOJBJXKFSA-N -1 3 397.471 3.849 20 0 GHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])no2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001599558681 998145104 /nfs/dbraw/zinc/14/51/04/998145104.db2.gz NBHUPZLYETURHT-RDTXWAMCSA-N -1 3 388.464 3.971 20 0 GHADHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1F ZINC001599559288 998157569 /nfs/dbraw/zinc/15/75/69/998157569.db2.gz VCCIQKHHIJRKKX-MRXNPFEDSA-N -1 3 382.229 3.855 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc3cnccc3c1)CC2 ZINC001599466098 998362991 /nfs/dbraw/zinc/36/29/91/998362991.db2.gz YJYMFEFLCDBYTC-FQEVSTJZSA-N -1 3 392.455 3.826 20 0 GHADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCc2ccc(F)cc2)c1 ZINC001599474861 998512709 /nfs/dbraw/zinc/51/27/09/998512709.db2.gz JRBDODDJOLQQOG-KRWDZBQOSA-N -1 3 396.256 3.897 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccc(Oc4cccnc4)cc3)no2)c(=O)[n-]1 ZINC000545677742 1016224728 /nfs/dbraw/zinc/22/47/28/1016224728.db2.gz DCSDMOYSTVZGDL-UHFFFAOYSA-N -1 3 375.388 3.627 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)ccc1F ZINC000469003572 1016327681 /nfs/dbraw/zinc/32/76/81/1016327681.db2.gz PGOOREQQHQEDDG-CQSZACIVSA-N -1 3 399.312 3.694 20 0 GHADHM COc1cccc(-c2cc(NC(=O)CCCc3ccc([O-])c(F)c3)n(C)n2)c1 ZINC000469108035 1016493675 /nfs/dbraw/zinc/49/36/75/1016493675.db2.gz XLQYZIGYXNDPJH-UHFFFAOYSA-N -1 3 383.423 3.902 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000469142684 1016552031 /nfs/dbraw/zinc/55/20/31/1016552031.db2.gz FFWZFFSRBXNKBB-QFIPXVFZSA-N -1 3 399.441 3.975 20 0 GHADHM Cc1[nH]c2ccc(-c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)cc2c1C ZINC000546343575 1016596381 /nfs/dbraw/zinc/59/63/81/1016596381.db2.gz DUWVSEQCGGGWBK-UHFFFAOYSA-N -1 3 382.445 3.873 20 0 GHADHM CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC001154777834 1032280278 /nfs/dbraw/zinc/28/02/78/1032280278.db2.gz XFRMLXZKMGILTA-KRWDZBQOSA-N -1 3 391.471 3.984 20 0 GHADHM CCCc1cc(O[C@@H](CS(C)(=O)=O)c2ccccc2Cl)[n-]c(=S)n1 ZINC001227420790 1032413466 /nfs/dbraw/zinc/41/34/66/1032413466.db2.gz CHLYKPWHYBXIQE-AWEZNQCLSA-N -1 3 386.926 3.536 20 0 GHADHM Cc1c(C)c(C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)nc2ccccc12 ZINC001155210355 1032458841 /nfs/dbraw/zinc/45/88/41/1032458841.db2.gz NQQGXKHQBKNAIZ-KRWDZBQOSA-N -1 3 397.475 3.508 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)c2ccccc2O1 ZINC001227582625 1032471828 /nfs/dbraw/zinc/47/18/28/1032471828.db2.gz BWFWYVYCPJIHHF-ZIAGYGMSSA-N -1 3 383.322 3.640 20 0 GHADHM CCOC(=O)c1ccc2[n-]c(O[C@@H](C(=O)N(CC)CC)c3ccccc3)nc2c1 ZINC001227702434 1032522814 /nfs/dbraw/zinc/52/28/14/1032522814.db2.gz RZVJGBIYSKAQRL-LJQANCHMSA-N -1 3 395.459 3.728 20 0 GHADHM [O-]c1cc(Br)cnc1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC001204155068 1032608420 /nfs/dbraw/zinc/60/84/20/1032608420.db2.gz UKHXWBKMHILFSP-SFHVURJKSA-N -1 3 391.309 3.812 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC[C@@H](C)F)cc1 ZINC000931619527 1018012377 /nfs/dbraw/zinc/01/23/77/1018012377.db2.gz DFHCKAVQZGSPHU-OAHLLOKOSA-N -1 3 393.484 3.974 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@@H]2CCN(C(C)C)C2)c([O-])c1 ZINC001228116669 1032791704 /nfs/dbraw/zinc/79/17/04/1032791704.db2.gz YNQWGIGLYHDDOV-QGZVFWFLSA-N -1 3 385.460 3.502 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1NC(=O)N(C)C ZINC000569835171 1019524836 /nfs/dbraw/zinc/52/48/36/1019524836.db2.gz DGXTZVOEQMKOML-UHFFFAOYSA-N -1 3 396.422 3.630 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001156015396 1032842009 /nfs/dbraw/zinc/84/20/09/1032842009.db2.gz GNRWSLMYQUOXPT-BPQIPLTHSA-N -1 3 388.261 3.591 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000575748368 1019942514 /nfs/dbraw/zinc/94/25/14/1019942514.db2.gz CKOPDUYOJFRYIO-ASHKBJFXSA-N -1 3 387.307 3.602 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cccc2c(F)cccc12 ZINC001156092643 1032872471 /nfs/dbraw/zinc/87/24/71/1032872471.db2.gz PDESTCFMNBYJLB-UHFFFAOYSA-N -1 3 379.347 3.944 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(CC2CC2)nc1C ZINC000190840803 1020732290 /nfs/dbraw/zinc/73/22/90/1020732290.db2.gz MYPOAJRMNVKQBD-AWEZNQCLSA-N -1 3 383.473 3.764 20 0 GHADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1nc(Br)cs1 ZINC000191875854 1020825693 /nfs/dbraw/zinc/82/56/93/1020825693.db2.gz VFNPLXHQSCLVRA-UHFFFAOYSA-N -1 3 375.269 3.705 20 0 GHADHM Cc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c([O-])c1 ZINC000192960729 1020906005 /nfs/dbraw/zinc/90/60/05/1020906005.db2.gz XMWLCOSEKBTAMA-QGOAFFKASA-N -1 3 387.399 3.584 20 0 GHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2OC)cc1 ZINC000634664312 1020954999 /nfs/dbraw/zinc/95/49/99/1020954999.db2.gz YDWZNGBOAVUPMS-UHFFFAOYSA-N -1 3 396.896 3.631 20 0 GHADHM Cc1cc(C)c(/C=C\C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1C ZINC001140270441 1021294531 /nfs/dbraw/zinc/29/45/31/1021294531.db2.gz AWZMSSISECEDAY-MGSINWNPSA-N -1 3 381.476 3.505 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC001140303228 1021352507 /nfs/dbraw/zinc/35/25/07/1021352507.db2.gz PREHGYGXYUBCJC-UHFFFAOYSA-N -1 3 399.777 3.961 20 0 GHADHM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1nnc2ccccc2c1[O-] ZINC001156359541 1033001320 /nfs/dbraw/zinc/00/13/20/1033001320.db2.gz KWJCRXNUUVCEPC-UHFFFAOYSA-N -1 3 383.314 3.575 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)ccc2[nH]1 ZINC000677555459 1021846050 /nfs/dbraw/zinc/84/60/50/1021846050.db2.gz OMTAXQFWKGAIRU-SECBINFHSA-N -1 3 377.853 3.649 20 0 GHADHM Cc1[nH]c(CN(C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001140496349 1021866722 /nfs/dbraw/zinc/86/67/22/1021866722.db2.gz BSZJMPCRSFOJCI-HOCLYGCPSA-N -1 3 379.501 3.597 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C ZINC001228627235 1033016568 /nfs/dbraw/zinc/01/65/68/1033016568.db2.gz DFPJTMXKQWITNN-XJKCOSOUSA-N -1 3 387.432 3.584 20 0 GHADHM CC(=O)N1CCCC[C@@]12CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140548024 1021949155 /nfs/dbraw/zinc/94/91/55/1021949155.db2.gz AKRRIFDCZPGPCV-SFHVURJKSA-N -1 3 381.314 3.522 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(c3ccccc3F)CC2)c1Br ZINC001140548137 1021950100 /nfs/dbraw/zinc/95/01/00/1021950100.db2.gz GBXGQHOMJLZLOL-UHFFFAOYSA-N -1 3 380.257 3.777 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001228631517 1033020903 /nfs/dbraw/zinc/02/09/03/1033020903.db2.gz YFBMVLJGPWSYPW-BETUJISGSA-N -1 3 375.421 3.584 20 0 GHADHM O=C(OCC1CC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000835492783 1022189411 /nfs/dbraw/zinc/18/94/11/1022189411.db2.gz UBZBONCJMCCHAT-UHFFFAOYSA-N -1 3 399.390 3.829 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(OC)s3)s2)cc1 ZINC000682690659 1022366858 /nfs/dbraw/zinc/36/68/58/1022366858.db2.gz QACMEZFSIWVRND-UHFFFAOYSA-N -1 3 376.463 3.630 20 0 GHADHM [O-]c1c(Cl)cc(CN2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1Cl ZINC001140831812 1022653400 /nfs/dbraw/zinc/65/34/00/1022653400.db2.gz VWGTZCBDKCPPQZ-STQMWFEESA-N -1 3 384.332 3.719 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000755180991 1023112769 /nfs/dbraw/zinc/11/27/69/1023112769.db2.gz TWHOPFJDGACPNX-XYZCENFISA-N -1 3 397.258 3.509 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000836601673 1023161188 /nfs/dbraw/zinc/16/11/88/1023161188.db2.gz NSRMINPHTXHYGF-UHFFFAOYSA-N -1 3 398.765 3.676 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000836601673 1023161195 /nfs/dbraw/zinc/16/11/95/1023161195.db2.gz NSRMINPHTXHYGF-UHFFFAOYSA-N -1 3 398.765 3.676 20 0 GHADHM CN(Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1)C(=O)OC(C)(C)C ZINC000836816471 1023384379 /nfs/dbraw/zinc/38/43/79/1023384379.db2.gz UVOKHAVSROSHQJ-UHFFFAOYSA-N -1 3 381.436 3.577 20 0 GHADHM Cc1cccc(N2C(C)=C(C(=O)N(C)C)[C@@H](c3ccc([O-])c(F)c3)NC2=S)c1 ZINC000755876711 1023415608 /nfs/dbraw/zinc/41/56/08/1023415608.db2.gz NUSPHDGCCQKWHH-LJQANCHMSA-N -1 3 399.491 3.638 20 0 GHADHM CC(C)[C@H](CO)O[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000836900383 1023447595 /nfs/dbraw/zinc/44/75/95/1023447595.db2.gz DFMSRRIOXNINMH-HNNXBMFYSA-N -1 3 387.263 3.646 20 0 GHADHM CN(CC(=O)Nc1cccc(Cl)c1)Cc1cccc([O-])c1Br ZINC001204880866 1033142539 /nfs/dbraw/zinc/14/25/39/1033142539.db2.gz JIRRLXIIKQOGJS-UHFFFAOYSA-N -1 3 383.673 3.879 20 0 GHADHM COc1ccc([C@H](NCc2cc(C)c(OC(F)F)c(C)c2)C(=O)[O-])cc1F ZINC000756360967 1023604816 /nfs/dbraw/zinc/60/48/16/1023604816.db2.gz IVYHRAZEQBVFDE-INIZCTEOSA-N -1 3 383.366 3.968 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCc4c(F)cccc4C3)cc2)cc(=O)[n-]1 ZINC000756922374 1023867718 /nfs/dbraw/zinc/86/77/18/1023867718.db2.gz PZCZDYYZWBOVEJ-UHFFFAOYSA-N -1 3 378.407 3.887 20 0 GHADHM Cc1nc(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)oc1-c1ccc(Cl)cc1 ZINC000757067367 1023925741 /nfs/dbraw/zinc/92/57/41/1023925741.db2.gz UYCSCJVXPRFZDI-UHFFFAOYSA-N -1 3 396.786 3.544 20 0 GHADHM Cc1csc(C[C@@H]2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)n1 ZINC001156684173 1033182722 /nfs/dbraw/zinc/18/27/22/1033182722.db2.gz WZQLQTCXVHUPCJ-LBPRGKRZSA-N -1 3 387.892 3.651 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1nc2ccccc2s1 ZINC001138176709 1024306380 /nfs/dbraw/zinc/30/63/80/1024306380.db2.gz PXVPLCQEFYWUFG-UHFFFAOYSA-N -1 3 396.209 3.859 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837305569 1024332885 /nfs/dbraw/zinc/33/28/85/1024332885.db2.gz UQKJMUGLZQDVJW-UHFFFAOYSA-N -1 3 399.447 3.693 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC(C(=O)c3ccccc3F)CC2)c2ccccc21 ZINC001138197525 1024347503 /nfs/dbraw/zinc/34/75/03/1024347503.db2.gz XYGZQGGFOLATTP-UHFFFAOYSA-N -1 3 394.446 3.960 20 0 GHADHM CC(=O)CCc1ccc2oc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)c(C)c2c1 ZINC000837402415 1024426788 /nfs/dbraw/zinc/42/67/88/1024426788.db2.gz PFLIJECTSMIVTR-UHFFFAOYSA-N -1 3 394.427 3.993 20 0 GHADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)c21 ZINC000837434023 1024454536 /nfs/dbraw/zinc/45/45/36/1024454536.db2.gz BEWWOFNWTIOSBM-UHFFFAOYSA-N -1 3 394.431 3.954 20 0 GHADHM COc1ccc(-c2ncc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)s2)cc1 ZINC000837550264 1024545056 /nfs/dbraw/zinc/54/50/56/1024545056.db2.gz MIEKBFKPHBGMDA-UHFFFAOYSA-N -1 3 383.429 3.549 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001138293574 1024569000 /nfs/dbraw/zinc/56/90/00/1024569000.db2.gz YMNHUCWJGJJVMU-LBPRGKRZSA-N -1 3 382.382 3.935 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H]1CCCC1(C)C ZINC001141352610 1024667753 /nfs/dbraw/zinc/66/77/53/1024667753.db2.gz XVNMKPNMNNBURY-AWEZNQCLSA-N -1 3 395.459 3.549 20 0 GHADHM [O-]c1ccc(-c2nc3ccsc3c(N3CCOCC3)n2)c(C(F)(F)F)c1 ZINC001205066854 1033234028 /nfs/dbraw/zinc/23/40/28/1033234028.db2.gz WOSUQYGJGCCMJU-UHFFFAOYSA-N -1 3 381.379 3.919 20 0 GHADHM [O-]c1cccnc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001138395043 1024772704 /nfs/dbraw/zinc/77/27/04/1024772704.db2.gz RGLOOGXALPNGFP-UHFFFAOYSA-N -1 3 395.453 3.973 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(F)c2c1CCCC2 ZINC001141399519 1024884890 /nfs/dbraw/zinc/88/48/90/1024884890.db2.gz WXCKNMGNFFCZSQ-UHFFFAOYSA-N -1 3 390.480 3.647 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)OC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000838140820 1024942048 /nfs/dbraw/zinc/94/20/48/1024942048.db2.gz CBVJHNOYMMMEGS-VXGBXAGGSA-N -1 3 379.815 3.536 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838142462 1024942839 /nfs/dbraw/zinc/94/28/39/1024942839.db2.gz ZPEPURLRMLGHCA-NSHDSACASA-N -1 3 395.814 3.615 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC001141451135 1025091108 /nfs/dbraw/zinc/09/11/08/1025091108.db2.gz OJCBYEKVHXGTRX-UHFFFAOYSA-N -1 3 379.313 3.917 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000832365174 1025487165 /nfs/dbraw/zinc/48/71/65/1025487165.db2.gz PUTCLXMPTJSDOB-ZDUSSCGKSA-N -1 3 384.712 3.795 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cc1 ZINC001138924948 1025592543 /nfs/dbraw/zinc/59/25/43/1025592543.db2.gz KHTBKOAFIDAYSW-REWPJTCUSA-N -1 3 381.472 3.689 20 0 GHADHM CCCc1noc2nc(CC)cc(C(=O)[N-]c3c(C)onc3OC(F)F)c12 ZINC000839343637 1025825120 /nfs/dbraw/zinc/82/51/20/1025825120.db2.gz XNSXDCFRWWRLMO-UHFFFAOYSA-N -1 3 380.351 3.888 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnn(-c2ccc(F)cc2)c1 ZINC001141622986 1025932580 /nfs/dbraw/zinc/93/25/80/1025932580.db2.gz RKSGHQFVRHJBLL-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CC(C)COc1ncc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1Cl ZINC001162890696 1025955403 /nfs/dbraw/zinc/95/54/03/1025955403.db2.gz VLWQJCKPYYNDHP-UHFFFAOYSA-N -1 3 394.859 3.701 20 0 GHADHM CC(C)COc1ncc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1Cl ZINC001162890696 1025955410 /nfs/dbraw/zinc/95/54/10/1025955410.db2.gz VLWQJCKPYYNDHP-UHFFFAOYSA-N -1 3 394.859 3.701 20 0 GHADHM O=C(NCc1cc(Cl)ccc1Br)c1nnc2ccccc2c1[O-] ZINC001163085503 1026036720 /nfs/dbraw/zinc/03/67/20/1026036720.db2.gz UENUTFSNGJMWGV-UHFFFAOYSA-N -1 3 392.640 3.681 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)c1[O-] ZINC001141651460 1026075508 /nfs/dbraw/zinc/07/55/08/1026075508.db2.gz JEMQESDMDAFBGX-LLVKDONJSA-N -1 3 382.338 3.880 20 0 GHADHM CC[C@H](C)C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC ZINC001163176955 1026077905 /nfs/dbraw/zinc/07/79/05/1026077905.db2.gz GOZXHPOCUJEJOW-JXFKEZNVSA-N -1 3 383.488 3.885 20 0 GHADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1F ZINC001164527916 1026543843 /nfs/dbraw/zinc/54/38/43/1026543843.db2.gz XGKQBSPJRIBZSJ-SFHVURJKSA-N -1 3 397.406 3.961 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(OC(F)(F)F)c1F ZINC001209813904 1027210448 /nfs/dbraw/zinc/21/04/48/1027210448.db2.gz ZCTOLKAOLBQYKS-QWHCGFSZSA-N -1 3 389.370 3.634 20 0 GHADHM CC[C@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)Oc1cccc(C)c1 ZINC001141794630 1027300946 /nfs/dbraw/zinc/30/09/46/1027300946.db2.gz RVWQRPRVXQOODK-CYBMUJFWSA-N -1 3 386.398 3.702 20 0 GHADHM Cc1cccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1F ZINC001210037800 1027323746 /nfs/dbraw/zinc/32/37/46/1027323746.db2.gz JGHVOVNRSMVIOW-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1cccc(Cl)c1 ZINC001210130347 1027351020 /nfs/dbraw/zinc/35/10/20/1027351020.db2.gz HAVDLTGYLVVYAO-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H](c2ccccc2)C1 ZINC000840354475 1027476026 /nfs/dbraw/zinc/47/60/26/1027476026.db2.gz MMYDZWIHJNCZOA-IACUBPJLSA-N -1 3 381.402 3.595 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)Oc1cccc(C(F)(F)F)c1 ZINC001210604969 1027571082 /nfs/dbraw/zinc/57/10/82/1027571082.db2.gz JBLHROXJYBXBAU-CYBMUJFWSA-N -1 3 377.384 3.743 20 0 GHADHM CC1(C)C[C@H](C(=O)OCc2noc(-c3ccccc3[O-])n2)c2ccccc2O1 ZINC000840657903 1027698344 /nfs/dbraw/zinc/69/83/44/1027698344.db2.gz BAHSIJSJQZCQMQ-HNNXBMFYSA-N -1 3 380.400 3.830 20 0 GHADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)C[C@@H]1OC ZINC001211179754 1027826095 /nfs/dbraw/zinc/82/60/95/1027826095.db2.gz QMSAPHSBMSSPFQ-HOTGVXAUSA-N -1 3 394.562 3.991 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]2C[C@H]21)c1cccc(Cl)c1Br ZINC001213134892 1028011599 /nfs/dbraw/zinc/01/15/99/1028011599.db2.gz DRHQUYIIWDRMNS-GARJFASQSA-N -1 3 378.719 3.817 20 0 GHADHM O=c1cc(-c2nc(-c3cccc(F)c3Br)no2)nc(C2CC2)[n-]1 ZINC001213258685 1028073256 /nfs/dbraw/zinc/07/32/56/1028073256.db2.gz BUPVAXGUYDKAKJ-UHFFFAOYSA-N -1 3 377.173 3.678 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c1 ZINC001213258945 1028073299 /nfs/dbraw/zinc/07/32/99/1028073299.db2.gz KOSYDRXORGFUSV-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)C)c1 ZINC001213330104 1028113325 /nfs/dbraw/zinc/11/33/25/1028113325.db2.gz GSAJQURMQFWGFC-GOSISDBHSA-N -1 3 379.453 3.596 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)C)c1 ZINC001213329836 1028114191 /nfs/dbraw/zinc/11/41/91/1028114191.db2.gz AKHIOMVUMZSJBI-LJQANCHMSA-N -1 3 393.480 3.905 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCc3ncnc(N4CCCC4)c3CC2)c(Cl)c1 ZINC001142108826 1028127075 /nfs/dbraw/zinc/12/70/75/1028127075.db2.gz CATVHMZACZQCPQ-UHFFFAOYSA-N -1 3 393.318 3.690 20 0 GHADHM COC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)c(Br)cc1OC ZINC001213386477 1028154817 /nfs/dbraw/zinc/15/48/17/1028154817.db2.gz FIHVBYOQVGVPNU-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)s1 ZINC001213492981 1028225193 /nfs/dbraw/zinc/22/51/93/1028225193.db2.gz LPVGOIOFCBORSZ-CABCVRRESA-N -1 3 380.535 3.793 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC001213663967 1028315672 /nfs/dbraw/zinc/31/56/72/1028315672.db2.gz BAVMTVZNLIYQFB-QOHRORDFSA-N -1 3 387.929 3.988 20 0 GHADHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)c1ccccc1 ZINC001213722169 1028349421 /nfs/dbraw/zinc/34/94/21/1028349421.db2.gz ATJBQKVWEOJGNV-HXUWFJFHSA-N -1 3 385.485 3.696 20 0 GHADHM O=S(=O)([N-]CCNCc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC001461368280 1069520884 /nfs/dbraw/zinc/52/08/84/1069520884.db2.gz CNSNWYXYQPFHQL-UHFFFAOYSA-N -1 3 399.752 3.776 20 0 GHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CCCCCC1 ZINC001213816686 1028389741 /nfs/dbraw/zinc/38/97/41/1028389741.db2.gz JXHWJWLVPCOCSM-ZDUSSCGKSA-N -1 3 393.958 3.748 20 0 GHADHM CCOc1cc(Br)ccc1-c1noc(-c2ccc(F)c(=O)[n-]2)n1 ZINC001214085751 1028540920 /nfs/dbraw/zinc/54/09/20/1028540920.db2.gz XHPGFBXRFLEPCD-UHFFFAOYSA-N -1 3 380.173 3.805 20 0 GHADHM N=c1nnc(-c2cccc(Cl)c2Cl)c(N)n1-c1ccc(Cl)cc1[O-] ZINC001214402547 1028718047 /nfs/dbraw/zinc/71/80/47/1028718047.db2.gz QSKGRYAIYYCBNM-UHFFFAOYSA-N -1 3 382.638 3.662 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1[n-]cnc1C(F)(F)F ZINC001142433894 1028903481 /nfs/dbraw/zinc/90/34/81/1028903481.db2.gz QASFAWOHMMHZFR-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1nc[n-]c1C(F)(F)F ZINC001142433894 1028903483 /nfs/dbraw/zinc/90/34/83/1028903483.db2.gz QASFAWOHMMHZFR-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM CN(Cc1ccc(Cl)cc1C(=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001142646848 1029202623 /nfs/dbraw/zinc/20/26/23/1029202623.db2.gz GJZTYDWEVGDGRL-HNNXBMFYSA-N -1 3 382.888 3.870 20 0 GHADHM Cc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1OCC1CCCCC1 ZINC001215428058 1029203038 /nfs/dbraw/zinc/20/30/38/1029203038.db2.gz SFGIXZLGDGBRLS-KRWDZBQOSA-N -1 3 386.496 3.588 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001142653421 1029211809 /nfs/dbraw/zinc/21/18/09/1029211809.db2.gz KZPXDOBPKKTSOK-IBGZPJMESA-N -1 3 390.892 3.729 20 0 GHADHM Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215699000 1029356081 /nfs/dbraw/zinc/35/60/81/1029356081.db2.gz XOSJGDGWLDSILB-UHFFFAOYSA-N -1 3 377.847 3.981 20 0 GHADHM CC(C)Oc1cnc(F)c([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001215783473 1029392389 /nfs/dbraw/zinc/39/23/89/1029392389.db2.gz PVBVKJOZLQGNJM-UHFFFAOYSA-N -1 3 394.255 3.698 20 0 GHADHM [O-]c1cccc(Nc2cc(F)ccc2CN2CCOCC2)c1Br ZINC001215822615 1029410317 /nfs/dbraw/zinc/41/03/17/1029410317.db2.gz PCNPZIINSGMKNU-UHFFFAOYSA-N -1 3 381.245 3.870 20 0 GHADHM Clc1ccnc2c(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)cccc12 ZINC001216108225 1029526166 /nfs/dbraw/zinc/52/61/66/1029526166.db2.gz TVHWIFRKJBUINY-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2c(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)cccc12 ZINC001216108225 1029526170 /nfs/dbraw/zinc/52/61/70/1029526170.db2.gz TVHWIFRKJBUINY-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Cc1cccnc1N(c1ccc([O-])cc1Cl)S(=O)(=O)c1ccc(N)cc1 ZINC001216430434 1029635965 /nfs/dbraw/zinc/63/59/65/1029635965.db2.gz JKLFWKZDIBGBBI-UHFFFAOYSA-N -1 3 389.864 3.858 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(F)c(Cl)c2)[n-]n1 ZINC001142900174 1029661013 /nfs/dbraw/zinc/66/10/13/1029661013.db2.gz IUZDTCSQUPUGSU-UHFFFAOYSA-N -1 3 383.807 3.565 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(F)c(Cl)c2)n[n-]1 ZINC001142900174 1029661017 /nfs/dbraw/zinc/66/10/17/1029661017.db2.gz IUZDTCSQUPUGSU-UHFFFAOYSA-N -1 3 383.807 3.565 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001216736773 1029912465 /nfs/dbraw/zinc/91/24/65/1029912465.db2.gz JUIKXSVXJUQSGA-QGZVFWFLSA-N -1 3 378.363 3.686 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cc(Cl)c(F)cc3F)no2)c1C ZINC001216961709 1030034775 /nfs/dbraw/zinc/03/47/75/1030034775.db2.gz MZBQJROYXSZIGV-UHFFFAOYSA-N -1 3 391.761 3.920 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c1[O-] ZINC001149196625 1030087054 /nfs/dbraw/zinc/08/70/54/1030087054.db2.gz LJAALFXMAPYTNO-DOXZYTNZSA-N -1 3 396.487 3.831 20 0 GHADHM CCO[N-]C(=O)CNCc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC001461618301 1069642858 /nfs/dbraw/zinc/64/28/58/1069642858.db2.gz YUFCRZBGQOSGRQ-UHFFFAOYSA-N -1 3 397.244 3.538 20 0 GHADHM Cc1nc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)cc(=O)[n-]1 ZINC001150047260 1030383810 /nfs/dbraw/zinc/38/38/10/1030383810.db2.gz LGCKCOFMSNFFJY-UHFFFAOYSA-N -1 3 375.432 3.599 20 0 GHADHM COc1cc(-c2noc(-c3c([O-])cnc4ccc(Br)cc43)n2)ccn1 ZINC001217500624 1030443650 /nfs/dbraw/zinc/44/36/50/1030443650.db2.gz DELVHGQUXUEGLF-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cncc(Br)c4)no3)c2c1 ZINC001217500306 1030444026 /nfs/dbraw/zinc/44/40/26/1030444026.db2.gz YQYYCCRLHWAELP-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COCCn1c(C(=O)Nc2ccc(F)c([O-])c2)cc2c1c1ccccc1n2C ZINC001150246436 1030463983 /nfs/dbraw/zinc/46/39/83/1030463983.db2.gz YHVZQOXUTQNOOF-UHFFFAOYSA-N -1 3 381.407 3.876 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001150463975 1030533814 /nfs/dbraw/zinc/53/38/14/1030533814.db2.gz BVHVRMZYANDMDP-WBMJQRKESA-N -1 3 392.377 3.521 20 0 GHADHM O=C(Nc1cnccc1OC(F)F)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150463467 1030533917 /nfs/dbraw/zinc/53/39/17/1030533917.db2.gz HXYGEXQLWFIWRO-UHFFFAOYSA-N -1 3 399.275 3.796 20 0 GHADHM O=C(Nc1ccccc1-c1nc[nH]n1)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476575 1030539924 /nfs/dbraw/zinc/53/99/24/1030539924.db2.gz UAEKJSHWMIIJCM-UHFFFAOYSA-N -1 3 399.332 3.584 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)OC[C@@H]3Cc4ccccc4O3)nc21 ZINC001223399202 1030553458 /nfs/dbraw/zinc/55/34/58/1030553458.db2.gz JMJIVMLVUQBPOV-HXPMCKFVSA-N -1 3 390.798 3.688 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)OC[C@@H]3Cc4ccccc4O3)[n-]c21 ZINC001223399202 1030553471 /nfs/dbraw/zinc/55/34/71/1030553471.db2.gz JMJIVMLVUQBPOV-HXPMCKFVSA-N -1 3 390.798 3.688 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H](C)c3ccc(OC)nc3)nc21 ZINC001223404265 1030559006 /nfs/dbraw/zinc/55/90/06/1030559006.db2.gz RCWKRKSWPVDLCN-MLCYQJTMSA-N -1 3 393.802 3.850 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H](C)c3ccc(OC)nc3)[n-]c21 ZINC001223404265 1030559012 /nfs/dbraw/zinc/55/90/12/1030559012.db2.gz RCWKRKSWPVDLCN-MLCYQJTMSA-N -1 3 393.802 3.850 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)o2)cc1F ZINC001217751234 1030643095 /nfs/dbraw/zinc/64/30/95/1030643095.db2.gz AJPOCFXPNRWJHB-KRWDZBQOSA-N -1 3 395.390 3.629 20 0 GHADHM C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C1CC[NH2+]CC1 ZINC001218007326 1030718158 /nfs/dbraw/zinc/71/81/58/1030718158.db2.gz WDCVVTFQOHRDON-ZDUSSCGKSA-N -1 3 381.428 3.638 20 0 GHADHM O=c1c(O[C@H]2CCC[C@]23CC[NH2+]C3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218088768 1030764567 /nfs/dbraw/zinc/76/45/67/1030764567.db2.gz BRCGFXVNTUNQBI-FDDCHVKYSA-N -1 3 393.439 3.782 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2(C)C)c([O-])c1 ZINC001151141308 1030780918 /nfs/dbraw/zinc/78/09/18/1030780918.db2.gz SBXGZFVPXJYASR-IBGZPJMESA-N -1 3 398.478 3.754 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)NC(=N)c1ccc2ccccc2n1 ZINC001151378992 1030888320 /nfs/dbraw/zinc/88/83/20/1030888320.db2.gz WPYYBTYFCXCEAP-UHFFFAOYSA-N -1 3 386.411 3.648 20 0 GHADHM CCC1=C(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCCO1 ZINC001152121351 1031109484 /nfs/dbraw/zinc/10/94/84/1031109484.db2.gz XIXZVOJOFLIPQC-ZDUSSCGKSA-N -1 3 396.409 3.660 20 0 GHADHM Cc1cccc(-c2cc(N)c(C(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)s2)c1 ZINC001219178043 1031289967 /nfs/dbraw/zinc/28/99/67/1031289967.db2.gz HHOUQMYWLVPTTR-UHFFFAOYSA-N -1 3 392.440 3.912 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)o1)c1c(Cl)cccc1Cl ZINC000189061884 1031298632 /nfs/dbraw/zinc/29/86/32/1031298632.db2.gz BHQKJQJMZKGZSF-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM Nc1nc2cc(NC(=O)c3nc4cc(Br)ccc4[n-]3)ccc2s1 ZINC001219250352 1031325245 /nfs/dbraw/zinc/32/52/45/1031325245.db2.gz VXQVXMXZZGNYFE-UHFFFAOYSA-N -1 3 388.250 3.770 20 0 GHADHM Nc1nc2cc(NC(=O)c3nc4ccc(Br)cc4[n-]3)ccc2s1 ZINC001219250352 1031325263 /nfs/dbraw/zinc/32/52/63/1031325263.db2.gz VXQVXMXZZGNYFE-UHFFFAOYSA-N -1 3 388.250 3.770 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccc4[nH][n-]c(=O)c4c3)cc2C1 ZINC001153282089 1031519873 /nfs/dbraw/zinc/51/98/73/1031519873.db2.gz TUCLNQFFAQSOID-UHFFFAOYSA-N -1 3 394.431 3.772 20 0 GHADHM Cc1nn(C)c2sc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])cc12 ZINC001153468208 1031607001 /nfs/dbraw/zinc/60/70/01/1031607001.db2.gz QRTYKIRZBJRLDY-UHFFFAOYSA-N -1 3 387.461 3.856 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153470729 1031607172 /nfs/dbraw/zinc/60/71/72/1031607172.db2.gz KBLNSSVNXURJEY-UHFFFAOYSA-N -1 3 376.125 3.931 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153470729 1031607179 /nfs/dbraw/zinc/60/71/79/1031607179.db2.gz KBLNSSVNXURJEY-UHFFFAOYSA-N -1 3 376.125 3.931 20 0 GHADHM COC(=O)[C@H](Oc1cc(C(C)=O)ccc1[O-])c1cccc(Br)c1 ZINC001225994561 1031733820 /nfs/dbraw/zinc/73/38/20/1031733820.db2.gz NARMMYKKDSTHSX-MRXNPFEDSA-N -1 3 379.206 3.650 20 0 GHADHM COc1ccc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c([O-])c1 ZINC001153764669 1031734410 /nfs/dbraw/zinc/73/44/10/1031734410.db2.gz XGGVVEVWDYVPSS-UHFFFAOYSA-N -1 3 375.222 3.575 20 0 GHADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153880418 1031790827 /nfs/dbraw/zinc/79/08/27/1031790827.db2.gz GDUQAWHDTIYHEA-SNVBAGLBSA-N -1 3 399.235 3.846 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226118167 1031797158 /nfs/dbraw/zinc/79/71/58/1031797158.db2.gz BPILLTMJPOVYMR-LBPRGKRZSA-N -1 3 387.452 3.666 20 0 GHADHM COc1nscc1[N-]C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC001153898964 1031799305 /nfs/dbraw/zinc/79/93/05/1031799305.db2.gz IGGFJDBDNJHPFY-UHFFFAOYSA-N -1 3 378.866 3.999 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153904975 1031804197 /nfs/dbraw/zinc/80/41/97/1031804197.db2.gz ZYVPFFUPDGTYCY-ZDUSSCGKSA-N -1 3 390.867 3.518 20 0 GHADHM O=C([N-]c1c(Cl)cnnc1Cl)c1cn2cc(Br)sc2n1 ZINC001154123899 1031939583 /nfs/dbraw/zinc/93/95/83/1031939583.db2.gz GYQVBMQOOSSQDI-UHFFFAOYSA-N -1 3 393.053 3.507 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc4oc(C)nc4cc3Cl)[n-]nc21 ZINC001154147325 1031950806 /nfs/dbraw/zinc/95/08/06/1031950806.db2.gz UDKZXRYAVAFUGR-UHFFFAOYSA-N -1 3 384.779 3.705 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc4oc(C)nc4cc3Cl)n[n-]c21 ZINC001154147325 1031950813 /nfs/dbraw/zinc/95/08/13/1031950813.db2.gz UDKZXRYAVAFUGR-UHFFFAOYSA-N -1 3 384.779 3.705 20 0 GHADHM O=C(Nc1c(Br)ncc2ccccc21)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154204790 1031983485 /nfs/dbraw/zinc/98/34/85/1031983485.db2.gz PPZVRKCNABDPMZ-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3[C@@H]4CC[C@H]3N(C(=O)OC(C)(C)C)C4)cc12 ZINC001226538056 1032002375 /nfs/dbraw/zinc/00/23/75/1032002375.db2.gz PLJAWJLZFIPNOK-TVZGQMOCSA-N -1 3 387.432 3.584 20 0 GHADHM COc1ccccc1[C@H]1CSCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001154259724 1032009207 /nfs/dbraw/zinc/00/92/07/1032009207.db2.gz LXFADALWZWTAPH-QGZVFWFLSA-N -1 3 375.465 3.789 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3c([O-])ccc4ccc(=O)oc43)C[C@@H]21 ZINC001226596046 1032030852 /nfs/dbraw/zinc/03/08/52/1032030852.db2.gz IIJZSDJUCXKOFF-ILXRZTDVSA-N -1 3 387.432 3.665 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C(C)(C)C1 ZINC001226596634 1032032145 /nfs/dbraw/zinc/03/21/45/1032032145.db2.gz NEPKVLNFDBVSIA-OAHLLOKOSA-N -1 3 389.448 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C(F)(F)C1 ZINC001226597244 1032032380 /nfs/dbraw/zinc/03/23/80/1032032380.db2.gz RVWGNYDITQOLKI-CYBMUJFWSA-N -1 3 397.374 3.522 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc(C2CC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001157222994 1033478729 /nfs/dbraw/zinc/47/87/29/1033478729.db2.gz SFONFSVBOUOBPE-HOTGVXAUSA-N -1 3 395.503 3.767 20 0 GHADHM Cc1cccc2cc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c(Cl)nc12 ZINC001157232080 1033484322 /nfs/dbraw/zinc/48/43/22/1033484322.db2.gz ARJKAYAKTIWUOM-QMMMGPOBSA-N -1 3 383.761 3.825 20 0 GHADHM CC[NH+](CC)C[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229771777 1033702362 /nfs/dbraw/zinc/70/23/62/1033702362.db2.gz QCCRJXLDYMNDEL-CQSZACIVSA-N -1 3 383.444 3.980 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001158346638 1034036295 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393.424 3.910 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)c1ccc(OC)nc1 ZINC001234607735 1040165034 /nfs/dbraw/zinc/16/50/34/1040165034.db2.gz FOXDAYHVUFTLFF-SNVBAGLBSA-N -1 3 396.237 3.875 20 0 GHADHM COc1c([O-])cc2c(c1OC1=C(C)[C@@H](C)OC1=O)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234758887 1040287042 /nfs/dbraw/zinc/28/70/42/1040287042.db2.gz KJFJIKGQCRZPEH-WBMJQRKESA-N -1 3 396.395 3.705 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)c1 ZINC001254860430 1040603467 /nfs/dbraw/zinc/60/34/67/1040603467.db2.gz ZJOQZMMSEDJKQB-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CC1(C)CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@H](c2ccccc2)C1 ZINC001235268354 1040747837 /nfs/dbraw/zinc/74/78/37/1040747837.db2.gz RQGSIQFRNFXXPH-KBPBESRZSA-N -1 3 395.429 3.985 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1ccc(F)cc1F ZINC001256117986 1041549325 /nfs/dbraw/zinc/54/93/25/1041549325.db2.gz JHTWIKSTRVNESP-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM 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PJBUUFNDFCACLP-UHFFFAOYSA-N -1 3 377.282 3.841 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1ccc(F)c([O-])c1 ZINC001236715320 1041851129 /nfs/dbraw/zinc/85/11/29/1041851129.db2.gz XGAYZBLCEPDESP-SFHVURJKSA-N -1 3 386.467 3.983 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)s1 ZINC001237167458 1042075085 /nfs/dbraw/zinc/07/50/85/1042075085.db2.gz AQBOWSKJUMBMTO-UHFFFAOYSA-N -1 3 385.272 3.817 20 0 GHADHM CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237169872 1042076526 /nfs/dbraw/zinc/07/65/26/1042076526.db2.gz SXTRPKRSTQIKBX-LBPRGKRZSA-N -1 3 387.933 3.866 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])C2)CN1c1ccsc1 ZINC001237523887 1042249880 /nfs/dbraw/zinc/24/98/80/1042249880.db2.gz VYBLGJZOEWEBMM-QGZVFWFLSA-N -1 3 398.315 3.785 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCN2)no1)c1ccc(Cl)c2ccccc21 ZINC001237548844 1042259350 /nfs/dbraw/zinc/25/93/50/1042259350.db2.gz MCDACAKRMXIIIC-CQSZACIVSA-N -1 3 377.853 3.707 20 0 GHADHM O=S(=O)([N-]c1cccc2c1CNC2)c1ccc(C(F)(F)F)cc1Cl ZINC001237706389 1042333984 /nfs/dbraw/zinc/33/39/84/1042333984.db2.gz PZZKDKLEKPQALQ-UHFFFAOYSA-N -1 3 376.787 3.763 20 0 GHADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001238232971 1042526705 /nfs/dbraw/zinc/52/67/05/1042526705.db2.gz GTSGIPQVALTQFF-UKRRQHHQSA-N -1 3 380.460 3.507 20 0 GHADHM O=C([C@H]1CCCN(Cc2c(Br)ccc([O-])c2F)C1)N1CCCCC1 ZINC001238306576 1042549721 /nfs/dbraw/zinc/54/97/21/1042549721.db2.gz LXJBKNAJQKSXJO-ZDUSSCGKSA-N -1 3 399.304 3.518 20 0 GHADHM O=S(=O)([N-]CCCC1CCCC1)c1cnc(Cl)c(Br)c1 ZINC001462683120 1070467895 /nfs/dbraw/zinc/46/78/95/1070467895.db2.gz UHZVNHMPMKXBGL-UHFFFAOYSA-N -1 3 381.723 3.746 20 0 GHADHM O=C(c1cccc([O-])c1Cl)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001278996759 1043906976 /nfs/dbraw/zinc/90/69/76/1043906976.db2.gz SXCMLDWYHJUBLW-TXEJJXNPSA-N -1 3 376.806 3.677 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC001257284501 1043956273 /nfs/dbraw/zinc/95/62/73/1043956273.db2.gz JKCMXBZHYQGPGO-ZDUSSCGKSA-N -1 3 378.252 3.535 20 0 GHADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)o1)c1c(Cl)cccc1Cl ZINC001257770420 1044161950 /nfs/dbraw/zinc/16/19/50/1044161950.db2.gz FBBRDDUUWMBUQJ-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM O=S(=O)([N-][C@@H](CO)Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC001257775935 1044166335 /nfs/dbraw/zinc/16/63/35/1044166335.db2.gz PMMMDPXYKCLTMK-GFCCVEGCSA-N -1 3 394.707 3.529 20 0 GHADHM CCOc1ccccc1OCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257780011 1044167056 /nfs/dbraw/zinc/16/70/56/1044167056.db2.gz FDUKLWQDTGNPSZ-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM Cc1cccc(CN2CC[C@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC001257785638 1044170352 /nfs/dbraw/zinc/17/03/52/1044170352.db2.gz NATIRWYHQVDCBY-HNNXBMFYSA-N -1 3 399.343 3.855 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ncccn2)cc1)c1c(Cl)cccc1Cl ZINC001257790893 1044174043 /nfs/dbraw/zinc/17/40/43/1044174043.db2.gz LQUPIKMEPGQHDI-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM C[C@H](CCc1cccn1C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001293451897 1044187801 /nfs/dbraw/zinc/18/78/01/1044187801.db2.gz ZASDEJHNUWRACH-GFCCVEGCSA-N -1 3 378.498 3.580 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC001462815914 1070566810 /nfs/dbraw/zinc/56/68/10/1070566810.db2.gz IUNIFFVOXZLWAJ-GDBMZVCRSA-N -1 3 385.501 3.886 20 0 GHADHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(CC)CC ZINC001294130696 1044486990 /nfs/dbraw/zinc/48/69/90/1044486990.db2.gz MWZJOBVVQABPQF-IRXDYDNUSA-N -1 3 378.419 3.520 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccccc1-c1ccc(F)cc1 ZINC001258452710 1044569654 /nfs/dbraw/zinc/56/96/54/1044569654.db2.gz PYEZKDZCTFLAJK-UHFFFAOYSA-N -1 3 393.871 3.667 20 0 GHADHM CCO[C@@H](CCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCCC1 ZINC001294458296 1044645192 /nfs/dbraw/zinc/64/51/92/1044645192.db2.gz NYJIMAKDBNXTNF-KRWDZBQOSA-N -1 3 376.884 3.897 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2Cl)c(OC)c1 ZINC001258960508 1044908147 /nfs/dbraw/zinc/90/81/47/1044908147.db2.gz XXJMBNQRKTYLHH-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2cn1)c1ccc(Br)s1 ZINC001259061201 1044942297 /nfs/dbraw/zinc/94/22/97/1044942297.db2.gz SDLCPLUZZIFHNU-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Br)s1 ZINC001259063086 1044944043 /nfs/dbraw/zinc/94/40/43/1044944043.db2.gz QZUSGAYBHFLFAS-LLVKDONJSA-N -1 3 392.727 3.610 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccncc1C(F)(F)F)C1CC1)c1ccc(F)c(F)c1 ZINC001259095138 1044958932 /nfs/dbraw/zinc/95/89/32/1044958932.db2.gz NQMZWKXTLVICDK-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3cnccc32)c(Cl)s1 ZINC001259151612 1044980728 /nfs/dbraw/zinc/98/07/28/1044980728.db2.gz RNVUSLCBKQHEAE-UHFFFAOYSA-N -1 3 382.850 3.537 20 0 GHADHM COC[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCCCN1C(=O)OC(C)(C)C ZINC001295350453 1044986121 /nfs/dbraw/zinc/98/61/21/1044986121.db2.gz FJUNXOXQWSCKLH-IBGZPJMESA-N -1 3 398.887 3.790 20 0 GHADHM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001295454719 1045022620 /nfs/dbraw/zinc/02/26/20/1045022620.db2.gz RNIACFOCFBBVQB-CQSZACIVSA-N -1 3 389.498 3.589 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC001259334992 1045085335 /nfs/dbraw/zinc/08/53/35/1045085335.db2.gz OFSZXLRKRIYMCE-UHFFFAOYSA-N -1 3 396.512 3.973 20 0 GHADHM Cc1nc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c(Cl)cc1Cl ZINC001259361735 1045099857 /nfs/dbraw/zinc/09/98/57/1045099857.db2.gz FZQDEKIVXGEZJJ-UHFFFAOYSA-N -1 3 383.260 3.683 20 0 GHADHM O=S(=O)([N-]c1ccc(Cc2ccccn2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369993 1045105604 /nfs/dbraw/zinc/10/56/04/1045105604.db2.gz GAJQVHGCIFHDOE-UHFFFAOYSA-N -1 3 390.468 3.659 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1ccc2ncsc2c1 ZINC001259390910 1045117862 /nfs/dbraw/zinc/11/78/62/1045117862.db2.gz FVRDSJCEVKJGHU-UHFFFAOYSA-N -1 3 378.237 3.938 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1OCc1ccccc1)c1cccc(Cl)c1F ZINC001259471684 1045184481 /nfs/dbraw/zinc/18/44/81/1045184481.db2.gz NBYZIQCBBMWCDL-HOTGVXAUSA-N -1 3 383.872 3.895 20 0 GHADHM C[C@]12CC3(O)CC([N-]S(=O)(=O)c4cccc(Cl)c4F)(C1)C[C@@](C)(C3)C2 ZINC001259471718 1045184547 /nfs/dbraw/zinc/18/45/47/1045184547.db2.gz OYIJRCGOFVNFCP-OQSMONGASA-N -1 3 387.904 3.621 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1Cl)C1CC1)c1cccc(Cl)c1F ZINC001259473593 1045185298 /nfs/dbraw/zinc/18/52/98/1045185298.db2.gz WLIZVCLYFNEHQW-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2CC)c2ccccc2)[n-]n1 ZINC001295913015 1045187161 /nfs/dbraw/zinc/18/71/61/1045187161.db2.gz PRCCMWPBLUBWQQ-HXUWFJFHSA-N -1 3 393.443 3.908 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2CC)c2ccccc2)n[n-]1 ZINC001295913015 1045187169 /nfs/dbraw/zinc/18/71/69/1045187169.db2.gz PRCCMWPBLUBWQQ-HXUWFJFHSA-N -1 3 393.443 3.908 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)c(F)c1 ZINC001259490574 1045199177 /nfs/dbraw/zinc/19/91/77/1045199177.db2.gz BVNKOXUBUWNQJB-UHFFFAOYSA-N -1 3 397.443 3.879 20 0 GHADHM COc1cc(Br)cc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259490910 1045200738 /nfs/dbraw/zinc/20/07/38/1045200738.db2.gz FIROPJQVGIYJMW-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(C)c1 ZINC001295983429 1045208476 /nfs/dbraw/zinc/20/84/76/1045208476.db2.gz VAEBKLWJEXSTIU-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1Cl)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001259505347 1045209286 /nfs/dbraw/zinc/20/92/86/1045209286.db2.gz JEBAPTURLYJIDV-CQSZACIVSA-N -1 3 376.787 3.582 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Br)c1ccc(Cl)cc1F ZINC001259506315 1045210916 /nfs/dbraw/zinc/21/09/16/1045210916.db2.gz HWHPECWUEHXHDP-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)CC2CCCCC2)cc1C(F)(F)F ZINC001259620270 1045247140 /nfs/dbraw/zinc/24/71/40/1045247140.db2.gz IBHMFZKBWSCXKO-UHFFFAOYSA-N -1 3 379.400 3.814 20 0 GHADHM CC[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)CCN1Cc1ccccc1 ZINC001296188511 1045275674 /nfs/dbraw/zinc/27/56/74/1045275674.db2.gz BSGPGGLUQLVOGT-QGZVFWFLSA-N -1 3 393.462 3.816 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)cc1 ZINC001259726120 1045276469 /nfs/dbraw/zinc/27/64/69/1045276469.db2.gz JZUWAWNPNZIWTA-UHFFFAOYSA-N -1 3 395.456 3.509 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)CCc2ccc(F)cc2)c1Cl ZINC001259760831 1045290430 /nfs/dbraw/zinc/29/04/30/1045290430.db2.gz BFNMCJXWQCERBK-UHFFFAOYSA-N -1 3 385.844 3.675 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001462899559 1070640111 /nfs/dbraw/zinc/64/01/11/1070640111.db2.gz HVOQBVSODIDSBV-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM COc1ccc(CS(=O)(=O)[N-]c2cc(Cl)ncc2C(F)(F)F)cc1 ZINC001259892130 1045330205 /nfs/dbraw/zinc/33/02/05/1045330205.db2.gz LDAUCVVWMSCCTG-UHFFFAOYSA-N -1 3 380.775 3.704 20 0 GHADHM CC(C)[C@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C(F)(F)F ZINC001296647171 1045350458 /nfs/dbraw/zinc/35/04/58/1045350458.db2.gz BZRKCXNBZXYRKH-ZDUSSCGKSA-N -1 3 396.287 3.743 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1C)c1cccc2ccccc21 ZINC001260025001 1045360495 /nfs/dbraw/zinc/36/04/95/1045360495.db2.gz URYZFDJTKWTCJW-OAQYLSRUSA-N -1 3 397.496 3.872 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)c2ccncc12 ZINC001260086729 1045377673 /nfs/dbraw/zinc/37/76/73/1045377673.db2.gz BGDRUHJVWOHREY-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)nnc1Cl)c1ccc(Oc2ccccn2)cc1 ZINC001260139705 1045392936 /nfs/dbraw/zinc/39/29/36/1045392936.db2.gz VGVLLJQVHCJBPE-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)ccc1C ZINC001260146678 1045396446 /nfs/dbraw/zinc/39/64/46/1045396446.db2.gz YKVJOCHJJCDLNN-UHFFFAOYSA-N -1 3 398.440 3.770 20 0 GHADHM O=S(=O)(Nc1cc([O-])c(F)cc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260146459 1045396581 /nfs/dbraw/zinc/39/65/81/1045396581.db2.gz SERKKWAJZCMJMT-UHFFFAOYSA-N -1 3 378.356 3.659 20 0 GHADHM O=c1cc[nH]c(Cl)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001260265776 1045432118 /nfs/dbraw/zinc/43/21/18/1045432118.db2.gz BSQGDVBMGZVKTR-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccno1 ZINC001260276991 1045439027 /nfs/dbraw/zinc/43/90/27/1045439027.db2.gz MCYYCSSOADAITB-SSDOTTSWSA-N -1 3 388.289 3.752 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1ccc(Br)cc1F ZINC001260381678 1045484490 /nfs/dbraw/zinc/48/44/90/1045484490.db2.gz MACGDVXZYSTHAW-LBPRGKRZSA-N -1 3 384.270 3.597 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1[O-] ZINC001297389849 1045508390 /nfs/dbraw/zinc/50/83/90/1045508390.db2.gz ODAMLXQVCYVHCG-CQSZACIVSA-N -1 3 392.274 3.934 20 0 GHADHM C[C@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609019 1045587465 /nfs/dbraw/zinc/58/74/65/1045587465.db2.gz FBXNCZUNPYRBCZ-UPUWXQQRSA-N -1 3 395.503 3.877 20 0 GHADHM Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609629 1045587613 /nfs/dbraw/zinc/58/76/13/1045587613.db2.gz IPSZIKDHTOVJNX-UONOGXRCSA-N -1 3 393.443 3.749 20 0 GHADHM Cc1ccn(-c2ccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)cc2)n1 ZINC001297695089 1045606119 /nfs/dbraw/zinc/60/61/19/1045606119.db2.gz ULEPSFUXKRLYIQ-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001297739979 1045614885 /nfs/dbraw/zinc/61/48/85/1045614885.db2.gz HYKWUQGJJXYSGK-JOCHJYFZSA-N -1 3 379.431 3.836 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1Cl)Nc1ccc2ccccc2c1 ZINC001260698416 1045615273 /nfs/dbraw/zinc/61/52/73/1045615273.db2.gz CJZCZXUETYMTKZ-UHFFFAOYSA-N -1 3 388.876 3.551 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(Cn4ccnc4)c3)ccc2O1 ZINC001260718293 1045624360 /nfs/dbraw/zinc/62/43/60/1045624360.db2.gz XSTYVSPIRISLAS-UHFFFAOYSA-N -1 3 397.500 3.836 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc2c1OCCO2 ZINC001260718610 1045625584 /nfs/dbraw/zinc/62/55/84/1045625584.db2.gz JWFHWKCIDXJAOA-UHFFFAOYSA-N -1 3 389.473 3.671 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2nc(C)ccc2Br)cc1Cl ZINC001260967469 1045787481 /nfs/dbraw/zinc/78/74/81/1045787481.db2.gz LXYYDFRWMWLIGG-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC001260972776 1045789425 /nfs/dbraw/zinc/78/94/25/1045789425.db2.gz LLSRJFQGPWJANR-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC001298417721 1045806777 /nfs/dbraw/zinc/80/67/77/1045806777.db2.gz XFYMTHFRESWERD-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1F ZINC001261010116 1045827944 /nfs/dbraw/zinc/82/79/44/1045827944.db2.gz KWPDUAMCDMBSBT-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2cccn2)c1)c1ccc(F)cc1C(F)(F)F ZINC001261011464 1045831854 /nfs/dbraw/zinc/83/18/54/1045831854.db2.gz XJCCLQNGNCUTRG-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)c(Br)ccc2[O-])ccc1-n1cncn1 ZINC001298513691 1045846167 /nfs/dbraw/zinc/84/61/67/1045846167.db2.gz LHLJCSXHUJOVAP-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2F)ccc1Br ZINC001261043736 1045863468 /nfs/dbraw/zinc/86/34/68/1045863468.db2.gz NSWCASDGMBZVQP-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C)c2ccccc21 ZINC001261062471 1045880328 /nfs/dbraw/zinc/88/03/28/1045880328.db2.gz IBUDZBFQQKYHOU-SKDRFNHKSA-N -1 3 385.894 3.715 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1[O-] ZINC001298696391 1045921461 /nfs/dbraw/zinc/92/14/61/1045921461.db2.gz DVEOAHNHDHAWJK-UHFFFAOYSA-N -1 3 380.488 3.676 20 0 GHADHM CC(C)c1ccc(C2(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)CCC2)cc1 ZINC001261223692 1045929432 /nfs/dbraw/zinc/92/94/32/1045929432.db2.gz FEPHKWZFIJYDHU-UHFFFAOYSA-N -1 3 393.487 3.766 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001261259423 1045944554 /nfs/dbraw/zinc/94/45/54/1045944554.db2.gz HFTQZKYGLOVIAJ-UHFFFAOYSA-N -1 3 376.815 3.506 20 0 GHADHM CC(C)OCc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1O ZINC001298859392 1045969160 /nfs/dbraw/zinc/96/91/60/1045969160.db2.gz JHJXXOICBWEFLD-UHFFFAOYSA-N -1 3 388.370 3.689 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001298994043 1045994050 /nfs/dbraw/zinc/99/40/50/1045994050.db2.gz OBWALKCVWGHWOW-SFHVURJKSA-N -1 3 379.464 3.710 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001298994043 1045994051 /nfs/dbraw/zinc/99/40/51/1045994051.db2.gz OBWALKCVWGHWOW-SFHVURJKSA-N -1 3 379.464 3.710 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)o2)cc1 ZINC001299814832 1046051248 /nfs/dbraw/zinc/05/12/48/1046051248.db2.gz WZQYBEAGEYOOII-UHFFFAOYSA-N -1 3 396.447 3.900 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)o2)cc1 ZINC001299814832 1046051267 /nfs/dbraw/zinc/05/12/67/1046051267.db2.gz WZQYBEAGEYOOII-UHFFFAOYSA-N -1 3 396.447 3.900 20 0 GHADHM O=C(NCc1nnc2ccc(Cl)cn21)c1cc(Cc2ccccc2)ccc1[O-] ZINC001301188259 1046392866 /nfs/dbraw/zinc/39/28/66/1046392866.db2.gz DHBNSQWWNKOJCV-UHFFFAOYSA-N -1 3 392.846 3.609 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)c(Cl)c1 ZINC001301895294 1046750397 /nfs/dbraw/zinc/75/03/97/1046750397.db2.gz QKNONJINYKWNDD-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)c(Cl)c1 ZINC001301895294 1046750413 /nfs/dbraw/zinc/75/04/13/1046750413.db2.gz QKNONJINYKWNDD-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000747369884 1046912861 /nfs/dbraw/zinc/91/28/61/1046912861.db2.gz WMLXTDNUWCXTJM-CQSZACIVSA-N -1 3 390.281 3.794 20 0 GHADHM O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC001302664959 1047034524 /nfs/dbraw/zinc/03/45/24/1047034524.db2.gz MQTQQRSKTJFTCS-UHFFFAOYSA-N -1 3 378.338 3.719 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c(-c2ccccc2)s1 ZINC001463149902 1070856465 /nfs/dbraw/zinc/85/64/65/1070856465.db2.gz ZQQZWBYZIUKBFX-KRWDZBQOSA-N -1 3 394.562 3.728 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)c1 ZINC001263767851 1047101566 /nfs/dbraw/zinc/10/15/66/1047101566.db2.gz HDLNFZUBBFSKRM-OAHLLOKOSA-N -1 3 385.489 3.685 20 0 GHADHM O=C([N-]c1c(F)ccc(Br)c1F)c1cn(Cc2ccccc2)nn1 ZINC001463158885 1070865273 /nfs/dbraw/zinc/86/52/73/1070865273.db2.gz RTHNLMCQVAIMCT-UHFFFAOYSA-N -1 3 393.191 3.619 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CNC2)c1ccc(Br)cc1Cl ZINC000386583798 1047278441 /nfs/dbraw/zinc/27/84/41/1047278441.db2.gz UYAGUALTTOLTRL-UHFFFAOYSA-N -1 3 387.686 3.507 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1C(C)C ZINC001303256572 1047325963 /nfs/dbraw/zinc/32/59/63/1047325963.db2.gz KTZRKGCQQQCDBU-AWEZNQCLSA-N -1 3 381.476 3.801 20 0 GHADHM CC(=O)CCc1ccc2oc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)c(C)c2c1 ZINC001303517838 1047410317 /nfs/dbraw/zinc/41/03/17/1047410317.db2.gz BBIAKEQTWMKRIN-UHFFFAOYSA-N -1 3 393.443 3.566 20 0 GHADHM CC1(C)C[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCS1 ZINC001304095529 1047585946 /nfs/dbraw/zinc/58/59/46/1047585946.db2.gz WNMYQSCRSLPGHB-NSHDSACASA-N -1 3 395.322 3.695 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)[n-]n1 ZINC001304101567 1047587045 /nfs/dbraw/zinc/58/70/45/1047587045.db2.gz QFYZYVSODPWNNZ-UHFFFAOYSA-N -1 3 399.426 3.675 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n[n-]1 ZINC001304101567 1047587047 /nfs/dbraw/zinc/58/70/47/1047587047.db2.gz QFYZYVSODPWNNZ-UHFFFAOYSA-N -1 3 399.426 3.675 20 0 GHADHM C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)c1nc(C(F)(F)F)n[n-]1 ZINC001304132308 1047595933 /nfs/dbraw/zinc/59/59/33/1047595933.db2.gz QLNBKTVIKBOXST-NXEZZACHSA-N -1 3 391.397 3.921 20 0 GHADHM C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)c1nc(C(F)(F)F)n[n-]1 ZINC001304132310 1047596106 /nfs/dbraw/zinc/59/61/06/1047596106.db2.gz QLNBKTVIKBOXST-UWVGGRQHSA-N -1 3 391.397 3.921 20 0 GHADHM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001279296915 1047759361 /nfs/dbraw/zinc/75/93/61/1047759361.db2.gz QWCBPMYQMGHQKR-KBPBESRZSA-N -1 3 394.796 3.816 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccn(C4CCCC4)n3)n[n-]2)cc1 ZINC001305446527 1048057853 /nfs/dbraw/zinc/05/78/53/1048057853.db2.gz OAZPMKVGPOYAQJ-UHFFFAOYSA-N -1 3 382.493 3.969 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)c([O-])c1 ZINC001306686748 1048814327 /nfs/dbraw/zinc/81/43/27/1048814327.db2.gz BYQIHHLXOQWKRX-UHFFFAOYSA-N -1 3 390.430 3.812 20 0 GHADHM Cc1cc(C[N-]C(=O)C(F)(F)c2ncccc2Br)cc(Cl)n1 ZINC001306862552 1048932200 /nfs/dbraw/zinc/93/22/00/1048932200.db2.gz IAZPIUGKQNXANA-UHFFFAOYSA-N -1 3 390.615 3.609 20 0 GHADHM O=c1cc([C@H]2CCN(c3nc4c(F)cccc4cc3Br)C2)[n-][nH]1 ZINC001307155992 1049108161 /nfs/dbraw/zinc/10/81/61/1049108161.db2.gz COEHKCQUXFJFGW-JTQLQIEISA-N -1 3 377.217 3.559 20 0 GHADHM CCN(CC)C(=O)OC[C@H]1CCCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001307749161 1049562989 /nfs/dbraw/zinc/56/29/89/1049562989.db2.gz WDSFTPSTTBRCGY-LJQANCHMSA-N -1 3 398.507 3.682 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1CCSc1ccccc1)C(F)(F)F ZINC001307856387 1049638488 /nfs/dbraw/zinc/63/84/88/1049638488.db2.gz KJZAHNUSJGVIGU-HNNXBMFYSA-N -1 3 380.435 3.889 20 0 GHADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@H]1C(=O)OC(C)(C)C ZINC001307939000 1049710066 /nfs/dbraw/zinc/71/00/66/1049710066.db2.gz MRGLIKVOSZSONS-CRAIPNDOSA-N -1 3 383.492 3.649 20 0 GHADHM [O-]c1ccc(CN2CCN(C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1Cl ZINC001308011883 1049760474 /nfs/dbraw/zinc/76/04/74/1049760474.db2.gz KNBKRYLPGWGGGD-RHSMWYFYSA-N -1 3 392.849 3.663 20 0 GHADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)c1C ZINC001308996845 1050256428 /nfs/dbraw/zinc/25/64/28/1050256428.db2.gz AAXZNCKPZFLNIH-UHFFFAOYSA-N -1 3 379.478 3.873 20 0 GHADHM O=S(=O)([N-]CCCSc1ccccc1)c1cc2nc(Cl)ncc2s1 ZINC001309041029 1050295165 /nfs/dbraw/zinc/29/51/65/1050295165.db2.gz DYMFTHOHBDUKKJ-UHFFFAOYSA-N -1 3 399.950 3.805 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1c(C)nn2cccnc12)c1cccs1 ZINC001309084118 1050334439 /nfs/dbraw/zinc/33/44/39/1050334439.db2.gz ODWIYNBQCYRSIK-OAHLLOKOSA-N -1 3 378.523 3.555 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC001309192270 1050452681 /nfs/dbraw/zinc/45/26/81/1050452681.db2.gz YUASYPOUVRRPBR-BDAKNGLRSA-N -1 3 388.864 3.706 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1COc2ccc(C)cc21 ZINC001309291324 1050562124 /nfs/dbraw/zinc/56/21/24/1050562124.db2.gz XQTJEBLAQOWNBA-LLVKDONJSA-N -1 3 388.308 3.539 20 0 GHADHM O=S(=O)([N-]Cc1cnc(-c2ccccc2)s1)c1cccnc1C(F)(F)F ZINC001328678781 1050588871 /nfs/dbraw/zinc/58/88/71/1050588871.db2.gz IFRYMZZYBMFQFG-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)O1 ZINC001309431231 1050714789 /nfs/dbraw/zinc/71/47/89/1050714789.db2.gz YZXXXQRUUWWPHJ-ZDUSSCGKSA-N -1 3 386.926 3.699 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1coc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC001309446026 1050725077 /nfs/dbraw/zinc/72/50/77/1050725077.db2.gz WFTJMHJDDXJASK-QMMMGPOBSA-N -1 3 376.381 3.948 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)(F)F)cc2)s1 ZINC001309469510 1050744289 /nfs/dbraw/zinc/74/42/89/1050744289.db2.gz UFMPNLIBQMPDDO-SECBINFHSA-N -1 3 380.413 3.644 20 0 GHADHM O=S(=O)([N-]C[C@H](CO)C1CCCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001309540522 1050795123 /nfs/dbraw/zinc/79/51/23/1050795123.db2.gz FTBGXCBSERWGKK-GFCCVEGCSA-N -1 3 399.862 3.826 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2C[C@H](C)C[C@@H](C)C2)c(C)c1Cl ZINC001309665781 1050908555 /nfs/dbraw/zinc/90/85/55/1050908555.db2.gz JTYFERGRIIGPKH-NXEZZACHSA-N -1 3 393.958 3.847 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330136444 1050963809 /nfs/dbraw/zinc/96/38/09/1050963809.db2.gz NTJNCFJILZJJSB-HLTSFMKQSA-N -1 3 386.283 3.531 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2F)c1 ZINC001309769334 1050964706 /nfs/dbraw/zinc/96/47/06/1050964706.db2.gz ASLFKWQRNJNTKJ-UHFFFAOYSA-N -1 3 383.659 3.968 20 0 GHADHM C[C@H](Nc1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[N-]CC(F)(F)F ZINC001330619961 1051042798 /nfs/dbraw/zinc/04/27/98/1051042798.db2.gz AHPKVSVCTGYHMA-BYPYZUCNSA-N -1 3 384.107 3.886 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc2oc(=O)n(C)c2cc1F ZINC001331382948 1051265730 /nfs/dbraw/zinc/26/57/30/1051265730.db2.gz XEZAAVSBLLWZCM-UHFFFAOYSA-N -1 3 392.452 3.677 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NOC(C)(C)C)cc1 ZINC001333208239 1051686725 /nfs/dbraw/zinc/68/67/25/1051686725.db2.gz ZLNWUYZGQHHBBM-UHFFFAOYSA-N -1 3 391.493 3.956 20 0 GHADHM O=C([O-])CC[C@H](CNCc1cnn(-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC001333656906 1051798133 /nfs/dbraw/zinc/79/81/33/1051798133.db2.gz YNICUCKNILQKND-GFCCVEGCSA-N -1 3 375.778 3.659 20 0 GHADHM CC(C)C[C@H](C)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001312346862 1052705634 /nfs/dbraw/zinc/70/56/34/1052705634.db2.gz SZPVKHNOLYLQCK-KBPBESRZSA-N -1 3 385.430 3.803 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001342563017 1053240935 /nfs/dbraw/zinc/24/09/35/1053240935.db2.gz MHWJXSFJQLWNQB-INIZCTEOSA-N -1 3 384.871 3.764 20 0 GHADHM CC(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001343079260 1053538315 /nfs/dbraw/zinc/53/83/15/1053538315.db2.gz MFSJPQXVDQNXRT-OKILXGFUSA-N -1 3 396.869 3.780 20 0 GHADHM CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001318141831 1054446929 /nfs/dbraw/zinc/44/69/29/1054446929.db2.gz SILKYOAYLVVARF-UHFFFAOYSA-N -1 3 388.467 3.549 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)nc[n-]c3=O)cn2)cc1C ZINC001318346136 1054579518 /nfs/dbraw/zinc/57/95/18/1054579518.db2.gz UATMSTLZDZMEBC-UHFFFAOYSA-N -1 3 378.432 3.866 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(N2CCOC2=O)ccc1F ZINC001318962701 1054967226 /nfs/dbraw/zinc/96/72/26/1054967226.db2.gz QRXXYBYNXGDTQD-UHFFFAOYSA-N -1 3 392.452 3.708 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc2c(cc1Cl)NC(=O)C2 ZINC001318978364 1054975167 /nfs/dbraw/zinc/97/51/67/1054975167.db2.gz HMAIJGIQEDUPSW-UHFFFAOYSA-N -1 3 381.613 3.555 20 0 GHADHM Cc1cc(C)c(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC001319063157 1055017715 /nfs/dbraw/zinc/01/77/15/1055017715.db2.gz PAOORZTUBSAKCD-UHFFFAOYSA-N -1 3 399.875 3.789 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C\c3nccs3)cc2)cc1 ZINC001345423987 1055034359 /nfs/dbraw/zinc/03/43/59/1055034359.db2.gz PETKWSFBCZFMPG-KHPPLWFESA-N -1 3 399.497 3.904 20 0 GHADHM CC[C@H]1c2ccccc2CN1c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCCCO1 ZINC001345545040 1055094121 /nfs/dbraw/zinc/09/41/21/1055094121.db2.gz CBPYFSRFHDOOQZ-QAPCUYQASA-N -1 3 395.463 3.679 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1nc(-c2ccccc2)cs1 ZINC001319244691 1055121049 /nfs/dbraw/zinc/12/10/49/1055121049.db2.gz KTEOEKGHDWYAEG-UHFFFAOYSA-N -1 3 377.466 3.933 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2cc(C)oc2C)c(C)c1Cl ZINC001320957967 1056032643 /nfs/dbraw/zinc/03/26/43/1056032643.db2.gz IAGIOPOWENFMCC-SECBINFHSA-N -1 3 391.898 3.746 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1ccc(C2CCC2)cc1 ZINC001321057896 1056073415 /nfs/dbraw/zinc/07/34/15/1056073415.db2.gz NAUDLRASTJPFNO-UHFFFAOYSA-N -1 3 391.468 3.786 20 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CC(C)(C)OC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(F)c1 ZINC001340051757 1059652573 /nfs/dbraw/zinc/65/25/73/1059652573.db2.gz DPMYGVJBJYYTPR-UHFFFAOYSA-N -1 3 382.391 3.875 20 0 GHADHM O=C(N[C@H]1COc2ccccc2C1=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001446188657 1059722451 /nfs/dbraw/zinc/72/24/51/1059722451.db2.gz HJDODDPWLWSFHE-FQEVSTJZSA-N -1 3 387.435 3.551 20 0 GHADHM Cc1csc([C@H](C)C(=O)Nc2ccc(I)cc2[O-])n1 ZINC001447626407 1059990591 /nfs/dbraw/zinc/99/05/91/1059990591.db2.gz RVQPPUJVQVCGRF-MRVPVSSYSA-N -1 3 388.230 3.504 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC001447807640 1060039666 /nfs/dbraw/zinc/03/96/66/1060039666.db2.gz ZXLVBGAESBVFJP-GFCCVEGCSA-N -1 3 376.266 3.977 20 0 GHADHM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cnc(C2CC2)[n-]c1=O ZINC001447903130 1060059465 /nfs/dbraw/zinc/05/94/65/1060059465.db2.gz ZOKQTIIWAFKFEG-UHFFFAOYSA-N -1 3 391.815 3.623 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001447971722 1060077189 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ZINC001454923461 1061956380 /nfs/dbraw/zinc/95/63/80/1061956380.db2.gz PIDWTJNXVOKYGR-GDBMZVCRSA-N -1 3 390.405 3.989 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC001455018434 1061979590 /nfs/dbraw/zinc/97/95/90/1061979590.db2.gz CQEXXMVBCHSKOI-GUYCJALGSA-N -1 3 394.899 3.907 20 0 GHADHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001545770450 1061991776 /nfs/dbraw/zinc/99/17/76/1061991776.db2.gz ITWBGAHRGCUTDA-UHFFFAOYSA-N -1 3 399.378 3.888 20 0 GHADHM Cc1nc(-c2nnc(N3CCCC4(CCCCC4)C3)n2CC2CC2)cc(=O)[n-]1 ZINC001346977277 1062024774 /nfs/dbraw/zinc/02/47/74/1062024774.db2.gz RSAAIVVUGRMXAT-UHFFFAOYSA-N -1 3 382.512 3.710 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001545850713 1062041323 /nfs/dbraw/zinc/04/13/23/1062041323.db2.gz PAHXVFUFHJDHHA-GFCCVEGCSA-N -1 3 391.497 3.807 20 0 GHADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC001545871447 1062054993 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CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001457517406 1063221522 /nfs/dbraw/zinc/22/15/22/1063221522.db2.gz MTNTUVANRVYLOJ-GFCCVEGCSA-N -1 3 391.472 3.675 20 0 GHADHM Cc1c(Cl)c(C(=O)[N-]c2nnc(SCc3cccs3)s2)nn1C ZINC001457551296 1063239747 /nfs/dbraw/zinc/23/97/47/1063239747.db2.gz BMLMKJQOALCACK-UHFFFAOYSA-N -1 3 385.927 3.840 20 0 GHADHM O=C(Nc1cc(-c2ccccc2F)no1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457611083 1063277795 /nfs/dbraw/zinc/27/77/95/1063277795.db2.gz IAEIWQOPAYZBBR-UHFFFAOYSA-N -1 3 385.301 3.853 20 0 GHADHM CO[C@H](C)c1nsc([N-]C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1 ZINC001436229081 1063311326 /nfs/dbraw/zinc/31/13/26/1063311326.db2.gz GIKMUNQCBLDUOB-SECBINFHSA-N -1 3 395.847 3.784 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccn(-c4ccccc4Cl)n3)c[n-]c12 ZINC001457691556 1063315300 /nfs/dbraw/zinc/31/53/00/1063315300.db2.gz URIZIYGFJHOSLY-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM Cc1cc(Br)oc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001457773339 1063356768 /nfs/dbraw/zinc/35/67/68/1063356768.db2.gz CYJJQGRUGWRXFY-UHFFFAOYSA-N -1 3 397.616 3.747 20 0 GHADHM CCSCc1cccnc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001457982200 1063482725 /nfs/dbraw/zinc/48/27/25/1063482725.db2.gz NJFCPPRCBHVVRC-UHFFFAOYSA-N -1 3 399.925 3.612 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2ccccc2F)cc1 ZINC001457999307 1063497461 /nfs/dbraw/zinc/49/74/61/1063497461.db2.gz GLPDQZDJNXLUBQ-UHFFFAOYSA-N -1 3 380.375 3.692 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)ccc1F ZINC001436561893 1063531938 /nfs/dbraw/zinc/53/19/38/1063531938.db2.gz ABOAGEQUUKHWTC-GOEBONIOSA-N -1 3 398.544 3.799 20 0 GHADHM COc1ccc(-c2nc(C(=O)[N-]c3ccnc(F)c3F)cs2)cc1OC ZINC001437851972 1063941708 /nfs/dbraw/zinc/94/17/08/1063941708.db2.gz JOPZZBBGNVBTHB-UHFFFAOYSA-N -1 3 377.372 3.753 20 0 GHADHM CCCCc1nc(NC(=O)Cc2cccc(OC(C)C)c2)c(C(=O)OCC)[n-]1 ZINC001458954442 1063967703 /nfs/dbraw/zinc/96/77/03/1063967703.db2.gz MMNFRGBSPNQNEQ-UHFFFAOYSA-N -1 3 387.480 3.897 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)c1 ZINC001350092048 1063986474 /nfs/dbraw/zinc/98/64/74/1063986474.db2.gz XKZKPRWDSRHJFG-IBGZPJMESA-N -1 3 398.434 3.648 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)cc1 ZINC001438527054 1064064097 /nfs/dbraw/zinc/06/40/97/1064064097.db2.gz HJCKSAHEXVDOAT-LBPRGKRZSA-N -1 3 395.550 3.986 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3c[n-]oc3=O)n2CC2CC2)s1 ZINC001351222238 1064312030 /nfs/dbraw/zinc/31/20/30/1064312030.db2.gz XVIMLBBTTWHCCP-NSHDSACASA-N -1 3 388.497 3.573 20 0 GHADHM O=c1cc(CN2CCCN(c3ccccc3Cl)CC2)c2ccc([O-])cc2o1 ZINC001460063875 1064390597 /nfs/dbraw/zinc/39/05/97/1064390597.db2.gz WRLFERWNLOOJEM-UHFFFAOYSA-N -1 3 384.863 3.864 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C1CCCCC1 ZINC001463521679 1064432057 /nfs/dbraw/zinc/43/20/57/1064432057.db2.gz KCZLCCWGTABMFR-MRXNPFEDSA-N -1 3 388.942 3.559 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)o1)c1cnc(-c2ccccc2)s1 ZINC001463552749 1064453747 /nfs/dbraw/zinc/45/37/47/1064453747.db2.gz NSHMZKAKLTWHMT-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM CCc1cccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1[O-] ZINC001463568244 1064466830 /nfs/dbraw/zinc/46/68/30/1064466830.db2.gz FGGRUWNQOHZFHN-UHFFFAOYSA-N -1 3 376.859 3.705 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)c3ccncc3)cc2)cc1 ZINC001463632174 1064514672 /nfs/dbraw/zinc/51/46/72/1064514672.db2.gz HMPHFNYGNCMGFJ-INIZCTEOSA-N -1 3 395.484 3.933 20 0 GHADHM O=C([N-]CC1CCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1)C(F)(F)F ZINC000847099152 1064702278 /nfs/dbraw/zinc/70/22/78/1064702278.db2.gz ORODLVSGJUIATG-QZTJIDSGSA-N -1 3 396.453 3.563 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C1CCCCCC1 ZINC001463972470 1064745081 /nfs/dbraw/zinc/74/50/81/1064745081.db2.gz CWUNRJUBVNYGRE-KRWDZBQOSA-N -1 3 387.929 3.662 20 0 GHADHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)OC)c1 ZINC001464137971 1064850331 /nfs/dbraw/zinc/85/03/31/1064850331.db2.gz WEMIYENWZWOWQL-AWEZNQCLSA-N -1 3 390.288 3.668 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(-c2cccc(O)c2)on1 ZINC001464141405 1064854144 /nfs/dbraw/zinc/85/41/44/1064854144.db2.gz ZRLMNZYHVGVIEZ-UHFFFAOYSA-N -1 3 375.178 3.768 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccsc1C(F)(F)F ZINC001464206794 1064907192 /nfs/dbraw/zinc/90/71/92/1064907192.db2.gz PLQMBEDHUKYKPI-UHFFFAOYSA-N -1 3 385.816 3.907 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCC2)O1)c1ccc(Cl)cc1C(F)(F)F ZINC001464354445 1064968418 /nfs/dbraw/zinc/96/84/18/1064968418.db2.gz DYXFNDKIGBYKME-LLVKDONJSA-N -1 3 383.819 3.739 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001464483544 1065039244 /nfs/dbraw/zinc/03/92/44/1065039244.db2.gz ICQZSLWMFYFPND-UHFFFAOYSA-N -1 3 375.350 3.835 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001464663239 1065144360 /nfs/dbraw/zinc/14/43/60/1065144360.db2.gz FEEJXEIMHVVGBE-SRGWNRLKSA-N -1 3 386.583 3.834 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001464663232 1065144458 /nfs/dbraw/zinc/14/44/58/1065144458.db2.gz FEEJXEIMHVVGBE-OJLQRUNKSA-N -1 3 386.583 3.834 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)sc1Br ZINC001464769519 1065202047 /nfs/dbraw/zinc/20/20/47/1065202047.db2.gz GRSRKFQLAKHLPM-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3sccc3-c3ccccc3)C2)n1 ZINC001352804717 1065323651 /nfs/dbraw/zinc/32/36/51/1065323651.db2.gz ALQJUINQKYGIKF-INIZCTEOSA-N -1 3 394.500 3.618 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1ccccn1)c1ccc(Cl)c2ccccc21 ZINC001200202873 1065571381 /nfs/dbraw/zinc/57/13/81/1065571381.db2.gz YVBDOFAKRGWKDB-UHFFFAOYSA-N -1 3 382.819 3.959 20 0 GHADHM NC(=O)C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCCC1 ZINC001465643756 1065765512 /nfs/dbraw/zinc/76/55/12/1065765512.db2.gz BJFQIYHPAQFCHK-FQEVSTJZSA-N -1 3 380.488 3.537 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC001465912133 1065918746 /nfs/dbraw/zinc/91/87/46/1065918746.db2.gz ZWQHXBLJKQHBAC-OAHLLOKOSA-N -1 3 389.320 3.656 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001466444937 1066158072 /nfs/dbraw/zinc/15/80/72/1066158072.db2.gz KIWUMDJPWKIGKU-INIZCTEOSA-N -1 3 393.270 3.797 20 0 GHADHM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001466886591 1066368399 /nfs/dbraw/zinc/36/83/99/1066368399.db2.gz TYYBZSRXTIWWSY-SDNWHVSQSA-N -1 3 392.908 3.887 20 0 GHADHM CC(C)c1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC001467324179 1067225998 /nfs/dbraw/zinc/22/59/98/1067225998.db2.gz RQZHVTWUEYGXRS-GASCZTMLSA-N -1 3 376.497 3.986 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc([O-])cc(Br)c1 ZINC001467514933 1067337802 /nfs/dbraw/zinc/33/78/02/1067337802.db2.gz OQEBUZFOJUCGBI-UHFFFAOYSA-N -1 3 377.213 3.748 20 0 GHADHM COc1cc2ncc(C(=O)Nc3cc(C4CCCCC4)[nH]n3)c([O-])c2c(OC)c1 ZINC000626010317 1067636409 /nfs/dbraw/zinc/63/64/09/1067636409.db2.gz OCMOLASRTGRJFE-UHFFFAOYSA-N -1 3 396.447 3.568 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468310607 1067678248 /nfs/dbraw/zinc/67/82/48/1067678248.db2.gz KOUZFJFRVHKVNF-UHFFFAOYSA-N -1 3 382.807 3.974 20 0 GHADHM Cc1cc(C[N-]c2nnc([C@@H](C)Oc3cccc(Br)c3)o2)no1 ZINC000849161876 1067748809 /nfs/dbraw/zinc/74/88/09/1067748809.db2.gz OHJHKOCFQIBNAT-SNVBAGLBSA-N -1 3 379.214 3.881 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC12CCC2 ZINC001468508097 1067755592 /nfs/dbraw/zinc/75/55/92/1067755592.db2.gz UCASAVVPMCXSEY-QGZVFWFLSA-N -1 3 389.293 3.941 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1[O-] ZINC001468600492 1067786238 /nfs/dbraw/zinc/78/62/38/1067786238.db2.gz DNOXEEIBRWHCEN-IBGZPJMESA-N -1 3 398.459 3.874 20 0 GHADHM C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001468601889 1067787217 /nfs/dbraw/zinc/78/72/17/1067787217.db2.gz PTFPAAQMWDDKNK-CSVMTYNTSA-N -1 3 388.464 3.593 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000849346382 1067813504 /nfs/dbraw/zinc/81/35/04/1067813504.db2.gz RCDUWIFDXUMNGA-GUYCJALGSA-N -1 3 382.298 3.928 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)c([O-])c1 ZINC001468692582 1067828195 /nfs/dbraw/zinc/82/81/95/1067828195.db2.gz IUHKKYXYZZTUGP-OAHLLOKOSA-N -1 3 398.450 3.842 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)nn1-c1ccc(C)cc1 ZINC001546172190 1067980451 /nfs/dbraw/zinc/98/04/51/1067980451.db2.gz PHQLJLYBFNUONG-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001469223917 1068038698 /nfs/dbraw/zinc/03/86/98/1068038698.db2.gz FABYSLFHFUNZSZ-ABAIWWIYSA-N -1 3 398.297 3.737 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)[C@H]1C(=O)OC(C)(C)C ZINC001469223918 1068039408 /nfs/dbraw/zinc/03/94/08/1068039408.db2.gz FABYSLFHFUNZSZ-IAQYHMDHSA-N -1 3 398.297 3.737 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(c2ccc(F)cc2)C1 ZINC001469400778 1068145397 /nfs/dbraw/zinc/14/53/97/1068145397.db2.gz ZWQOYZYLNITTON-UHFFFAOYSA-N -1 3 379.229 3.603 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1cc([O-])cc(Br)c1 ZINC001469463422 1068174291 /nfs/dbraw/zinc/17/42/91/1068174291.db2.gz JDFXFAQHHXYQKN-INIZCTEOSA-N -1 3 387.233 3.857 20 0 GHADHM CC(C)(CO)[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1cccs1 ZINC001469480407 1068184173 /nfs/dbraw/zinc/18/41/73/1068184173.db2.gz YWJVSUWLYDHUGR-KRWDZBQOSA-N -1 3 390.892 3.733 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc(Cl)c1OC ZINC001469638059 1068276904 /nfs/dbraw/zinc/27/69/04/1068276904.db2.gz XJSZELOHRGNLII-UHFFFAOYSA-N -1 3 394.761 3.729 20 0 GHADHM COc1ccccc1C=C(C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC001469714311 1068332063 /nfs/dbraw/zinc/33/20/63/1068332063.db2.gz IKLZGIXDBUESEX-UIMCMNAESA-N -1 3 389.455 3.681 20 0 GHADHM O=C(c1cnc(OC2CCCCC2)c(Cl)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715210 1068332923 /nfs/dbraw/zinc/33/29/23/1068332923.db2.gz MWQXPFHABCBNJZ-GFCCVEGCSA-N -1 3 390.871 3.505 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716475 1068334124 /nfs/dbraw/zinc/33/41/24/1068334124.db2.gz VEHFYNNKUDXFKJ-SNVBAGLBSA-N -1 3 386.304 3.671 20 0 GHADHM CC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478219509 1078771069 /nfs/dbraw/zinc/77/10/69/1078771069.db2.gz ASIJVQYRIBCDQF-YCPHGPKFSA-N -1 3 397.441 3.947 20 0 GHADHM Cc1ccc(SCc2cccc(C(=O)NCCCc3c[n-][nH]c3=O)c2)c(C)c1 ZINC001470577178 1072632744 /nfs/dbraw/zinc/63/27/44/1072632744.db2.gz BURHBBOJHUYFFS-LJQANCHMSA-N -1 3 395.528 3.838 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC001470918150 1072814783 /nfs/dbraw/zinc/81/47/83/1072814783.db2.gz SBRSTZCWYBAICJ-UHFFFAOYSA-N -1 3 390.361 3.734 20 0 GHADHM O=C(NC[C@@H]1CCC2(CCOCC2)CO1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471624103 1073161893 /nfs/dbraw/zinc/16/18/93/1073161893.db2.gz IMJMAGWVGIPENN-IBGZPJMESA-N -1 3 397.471 3.890 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)[n-]n1 ZINC001472090874 1073330494 /nfs/dbraw/zinc/33/04/94/1073330494.db2.gz LRICFQKKBOTWCT-UHFFFAOYSA-N -1 3 392.868 3.809 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)n[n-]1 ZINC001472090874 1073330504 /nfs/dbraw/zinc/33/05/04/1073330504.db2.gz LRICFQKKBOTWCT-UHFFFAOYSA-N -1 3 392.868 3.809 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc3[nH]c(CNC(=O)OC(C)(C)C)nc3c2)c([O-])c1 ZINC001472101498 1073334550 /nfs/dbraw/zinc/33/45/50/1073334550.db2.gz YNEVHSTYCHNGBC-UHFFFAOYSA-N -1 3 396.447 3.854 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241003 1073379860 /nfs/dbraw/zinc/37/98/60/1073379860.db2.gz KKWKZEQWZZHVMM-KAMYIIQDSA-N -1 3 379.391 3.948 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241003 1073379869 /nfs/dbraw/zinc/37/98/69/1073379869.db2.gz KKWKZEQWZZHVMM-KAMYIIQDSA-N -1 3 379.391 3.948 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1CCCc2c(O)cccc21 ZINC001472242314 1073381454 /nfs/dbraw/zinc/38/14/54/1073381454.db2.gz IJJPXNWALRJQPY-KRWDZBQOSA-N -1 3 391.427 3.531 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1CCCc2c(O)cccc21 ZINC001472242314 1073381455 /nfs/dbraw/zinc/38/14/55/1073381455.db2.gz IJJPXNWALRJQPY-KRWDZBQOSA-N -1 3 391.427 3.531 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)ccc1F ZINC001472248472 1073383232 /nfs/dbraw/zinc/38/32/32/1073383232.db2.gz MZIVPUWELODVAM-GOEBONIOSA-N -1 3 396.528 3.553 20 0 GHADHM Cc1ccc(Br)c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001472288432 1073401198 /nfs/dbraw/zinc/40/11/98/1073401198.db2.gz JPEUVOLPIXFVCR-JOCQHMNTSA-N -1 3 390.281 3.709 20 0 GHADHM CCOc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1F ZINC001474673716 1074509176 /nfs/dbraw/zinc/50/91/76/1074509176.db2.gz MMIBCMXABPEQSW-UHFFFAOYSA-N -1 3 378.875 3.901 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(F)c1 ZINC001474789367 1074563859 /nfs/dbraw/zinc/56/38/59/1074563859.db2.gz JIZZLHOYMHDTEQ-OAHLLOKOSA-N -1 3 395.477 3.518 20 0 GHADHM CCCCOc1cccc(C[N-]S(=O)(=O)c2occc2Br)c1 ZINC001474845832 1074590645 /nfs/dbraw/zinc/59/06/45/1074590645.db2.gz QNAKWHSJCAHEAC-UHFFFAOYSA-N -1 3 388.283 3.700 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)s1 ZINC001474878040 1074607859 /nfs/dbraw/zinc/60/78/59/1074607859.db2.gz UJKVTOUMHMLMAV-UHFFFAOYSA-N -1 3 378.441 3.635 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C ZINC001474906091 1074625573 /nfs/dbraw/zinc/62/55/73/1074625573.db2.gz SOMIDZOZJKGPEG-WDEREUQCSA-N -1 3 394.306 3.701 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cc(Cl)cc1C)c1ccccc1 ZINC001475012119 1074682803 /nfs/dbraw/zinc/68/28/03/1074682803.db2.gz CROJMPKVKACXBG-MRXNPFEDSA-N -1 3 381.881 3.540 20 0 GHADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cc(C)c(F)cc3F)CCC2)cc1 ZINC001475126491 1074748559 /nfs/dbraw/zinc/74/85/59/1074748559.db2.gz BEHRCCHAZFFZDU-UHFFFAOYSA-N -1 3 381.444 3.682 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001475138958 1074753799 /nfs/dbraw/zinc/75/37/99/1074753799.db2.gz FTCDCEPWFBZLEP-LJQANCHMSA-N -1 3 389.517 3.573 20 0 GHADHM CC(C)(C)CCCS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001475139144 1074754137 /nfs/dbraw/zinc/75/41/37/1074754137.db2.gz MQVUUQMRFOPTLC-QGZVFWFLSA-N -1 3 383.554 3.890 20 0 GHADHM O=C1C[C@@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c2ccccc21 ZINC001475143594 1074755935 /nfs/dbraw/zinc/75/59/35/1074755935.db2.gz UXXILYJIULJZDT-QGZVFWFLSA-N -1 3 398.415 3.619 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(CC)cc2)c(F)c1 ZINC001475157617 1074762060 /nfs/dbraw/zinc/76/20/60/1074762060.db2.gz APYBFVLYDCECPG-ZDUSSCGKSA-N -1 3 379.453 3.604 20 0 GHADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)c[nH]c2c1 ZINC001475212241 1074788055 /nfs/dbraw/zinc/78/80/55/1074788055.db2.gz POINKQTUVOQBID-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM CCOC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC001475254029 1074806316 /nfs/dbraw/zinc/80/63/16/1074806316.db2.gz CPBSSXDHLCOPLN-CQSZACIVSA-N -1 3 388.942 3.803 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(F)cc1Br ZINC001475274066 1074817812 /nfs/dbraw/zinc/81/78/12/1074817812.db2.gz NFLDEBRAGLWLDJ-UHFFFAOYSA-N -1 3 376.291 3.898 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(C)c2)c(Br)c1 ZINC001475315981 1074831262 /nfs/dbraw/zinc/83/12/62/1074831262.db2.gz BEERFBQIPUIZMD-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1cccc(Cl)c1 ZINC001475364035 1074849806 /nfs/dbraw/zinc/84/98/06/1074849806.db2.gz KAHDHVKGBIZDRM-OAHLLOKOSA-N -1 3 375.824 3.593 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001475385518 1074856535 /nfs/dbraw/zinc/85/65/35/1074856535.db2.gz KGMBCUPAWKTLJL-APHBMKBZSA-N -1 3 381.929 3.633 20 0 GHADHM COc1ccnc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1F ZINC001475507370 1074900287 /nfs/dbraw/zinc/90/02/87/1074900287.db2.gz LGGVRZSYIRTITK-UHFFFAOYSA-N -1 3 386.857 3.576 20 0 GHADHM O=c1cc(CNS(=O)(=O)c2cccc(-c3ccccc3)c2)nc(C2CCC2)[n-]1 ZINC001475539089 1074908524 /nfs/dbraw/zinc/90/85/24/1074908524.db2.gz BXUJDCSMJDXHCH-UHFFFAOYSA-N -1 3 395.484 3.595 20 0 GHADHM Cc1cccc(CN2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)c1 ZINC001475540803 1074908839 /nfs/dbraw/zinc/90/88/39/1074908839.db2.gz NATIRWYHQVDCBY-OAHLLOKOSA-N -1 3 399.343 3.855 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccc(Cl)cc2F)sc1Cl ZINC001475556219 1074913364 /nfs/dbraw/zinc/91/33/64/1074913364.db2.gz WZOBZUZPYHIJRB-UHFFFAOYSA-N -1 3 382.265 3.664 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001475583083 1074920480 /nfs/dbraw/zinc/92/04/80/1074920480.db2.gz LOZYEMHYIXLHND-KBXCAEBGSA-N -1 3 396.915 3.668 20 0 GHADHM O=S(=O)([N-][C@H](CF)c1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC001475604043 1074925201 /nfs/dbraw/zinc/92/52/01/1074925201.db2.gz OHKFGXIKHGCPAS-CQSZACIVSA-N -1 3 394.212 3.716 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC001475617586 1074928873 /nfs/dbraw/zinc/92/88/73/1074928873.db2.gz WVKYOCKTKNFEDR-MFKMUULPSA-N -1 3 385.835 3.842 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475663313 1074995623 /nfs/dbraw/zinc/99/56/23/1074995623.db2.gz FXDKLJHXKYMAFY-AWEZNQCLSA-N -1 3 379.881 3.515 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCC3)CO2)c1Cl ZINC001475676480 1074998328 /nfs/dbraw/zinc/99/83/28/1074998328.db2.gz IYEVREJRUCCLBK-LBPRGKRZSA-N -1 3 378.321 3.929 20 0 GHADHM CCOC(=O)[C@@H](C[C@H](C)CC)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001475680366 1074998783 /nfs/dbraw/zinc/99/87/83/1074998783.db2.gz GLGDYRAWKGPIIG-IAQYHMDHSA-N -1 3 396.336 3.781 20 0 GHADHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1c(CC)cccc1CC)c1ccccc1 ZINC001475696369 1075001554 /nfs/dbraw/zinc/00/15/54/1075001554.db2.gz MYGVLPCUYLKVMT-OAQYLSRUSA-N -1 3 389.517 3.568 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCC[C@H]21 ZINC001475771801 1075018261 /nfs/dbraw/zinc/01/82/61/1075018261.db2.gz FKDAQFQTSNEISU-HLUHBDAQSA-N -1 3 394.718 3.578 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c([O-])c1 ZINC000008378377 209135754 /nfs/dbraw/zinc/13/57/54/209135754.db2.gz CTTTXPGORDKDSM-UHFFFAOYSA-N -1 3 386.407 3.749 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1Br ZINC000007306153 209132578 /nfs/dbraw/zinc/13/25/78/209132578.db2.gz DELFCILQRIPWBD-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM O=S(=O)([N-]CCc1cccs1)c1ccc(Br)cc1Cl ZINC000007310103 209131182 /nfs/dbraw/zinc/13/11/82/209131182.db2.gz NSXYSRJROMNYKA-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM O=C(C=Cc1ccco1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737807861 598834343 /nfs/dbraw/zinc/83/43/43/598834343.db2.gz RESXTCUNKSNZIV-RMKNXTFCSA-N -1 3 377.429 3.518 20 0 GHADHM Cc1cccc(CC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737391830 598834470 /nfs/dbraw/zinc/83/44/70/598834470.db2.gz JTFLRQQVOCMZJM-UHFFFAOYSA-N -1 3 389.484 3.763 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736688275 598835451 /nfs/dbraw/zinc/83/54/51/598835451.db2.gz VFFSSSLARWXZIK-GOSISDBHSA-N -1 3 395.463 3.545 20 0 GHADHM Cc1cccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737383600 598836264 /nfs/dbraw/zinc/83/62/64/598836264.db2.gz COXPFKPPJDTRDQ-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(C)n1 ZINC000737312753 598836496 /nfs/dbraw/zinc/83/64/96/598836496.db2.gz NJJYTBRSBFKYDM-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccccc2OCC2CC2)n1 ZINC000737636433 598855878 /nfs/dbraw/zinc/85/58/78/598855878.db2.gz RXGFQZTYWJMHHQ-UHFFFAOYSA-N -1 3 390.369 3.681 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccccc2OCC2CC2)n1 ZINC000737636433 598855879 /nfs/dbraw/zinc/85/58/79/598855879.db2.gz RXGFQZTYWJMHHQ-UHFFFAOYSA-N -1 3 390.369 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCCC1 ZINC000736116317 598879372 /nfs/dbraw/zinc/87/93/72/598879372.db2.gz MYUYPQGTFQLKSG-CYBMUJFWSA-N -1 3 393.451 3.754 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736036839 598884385 /nfs/dbraw/zinc/88/43/85/598884385.db2.gz IGYPLOWDWPZKKT-GJZGRUSLSA-N -1 3 398.488 3.606 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736036839 598884387 /nfs/dbraw/zinc/88/43/87/598884387.db2.gz IGYPLOWDWPZKKT-GJZGRUSLSA-N -1 3 398.488 3.606 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736396358 598889255 /nfs/dbraw/zinc/88/92/55/598889255.db2.gz MCGPGGVZXAATSX-INIZCTEOSA-N -1 3 396.499 3.823 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736396358 598889257 /nfs/dbraw/zinc/88/92/57/598889257.db2.gz MCGPGGVZXAATSX-INIZCTEOSA-N -1 3 396.499 3.823 20 0 GHADHM CN(Cc1ccoc1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736830258 598890624 /nfs/dbraw/zinc/89/06/24/598890624.db2.gz RBYXMFORURJZJL-UHFFFAOYSA-N -1 3 394.460 3.530 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737447984 598904097 /nfs/dbraw/zinc/90/40/97/598904097.db2.gz JBGJKTFFCBROPO-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737447984 598904099 /nfs/dbraw/zinc/90/40/99/598904099.db2.gz JBGJKTFFCBROPO-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC(C)CN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000735817866 598905620 /nfs/dbraw/zinc/90/56/20/598905620.db2.gz GEFFURNFYVBOFS-UHFFFAOYSA-N -1 3 396.520 3.925 20 0 GHADHM CC1(C)CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736211670 598906489 /nfs/dbraw/zinc/90/64/89/598906489.db2.gz RLILTGUZHJWSTG-UHFFFAOYSA-N -1 3 382.493 3.679 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC1CCCCC1 ZINC000738112789 598907515 /nfs/dbraw/zinc/90/75/15/598907515.db2.gz SNBRWBFAXMALRL-UHFFFAOYSA-N -1 3 382.493 3.727 20 0 GHADHM CCCN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000736467274 598908077 /nfs/dbraw/zinc/90/80/77/598908077.db2.gz AQTNFGRCBOBLHS-UHFFFAOYSA-N -1 3 382.493 3.679 20 0 GHADHM Fc1cccc(Cl)c1[C@H]1C[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737661629 598911721 /nfs/dbraw/zinc/91/17/21/598911721.db2.gz OKUMJKDRYQVCRE-HZMBPMFUSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc(Cl)c1[C@H]1C[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737661629 598911723 /nfs/dbraw/zinc/91/17/23/598911723.db2.gz OKUMJKDRYQVCRE-HZMBPMFUSA-N -1 3 388.859 3.502 20 0 GHADHM Cc1ccc2cccc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c2n1 ZINC000737375938 598923399 /nfs/dbraw/zinc/92/33/99/598923399.db2.gz YVKXYUKLKIVECX-UHFFFAOYSA-N -1 3 399.458 3.920 20 0 GHADHM Cc1ccc2cccc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c2n1 ZINC000737375938 598923401 /nfs/dbraw/zinc/92/34/01/598923401.db2.gz YVKXYUKLKIVECX-UHFFFAOYSA-N -1 3 399.458 3.920 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738044839 598928979 /nfs/dbraw/zinc/92/89/79/598928979.db2.gz LZWHJKGOIAVUIA-INIZCTEOSA-N -1 3 389.459 3.532 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738044839 598928980 /nfs/dbraw/zinc/92/89/80/598928980.db2.gz LZWHJKGOIAVUIA-INIZCTEOSA-N -1 3 389.459 3.532 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736225631 598930558 /nfs/dbraw/zinc/93/05/58/598930558.db2.gz QTDTUXCCLUEXFU-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736225631 598930559 /nfs/dbraw/zinc/93/05/59/598930559.db2.gz QTDTUXCCLUEXFU-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000737566328 598939445 /nfs/dbraw/zinc/93/94/45/598939445.db2.gz ZHOFMQRAGDJGBH-ZDUSSCGKSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000737566328 598939446 /nfs/dbraw/zinc/93/94/46/598939446.db2.gz ZHOFMQRAGDJGBH-ZDUSSCGKSA-N -1 3 379.855 3.780 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736401479 598942338 /nfs/dbraw/zinc/94/23/38/598942338.db2.gz XPWRWVSECQWACL-LSDHHAIUSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736401479 598942340 /nfs/dbraw/zinc/94/23/40/598942340.db2.gz XPWRWVSECQWACL-LSDHHAIUSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736399839 598942611 /nfs/dbraw/zinc/94/26/11/598942611.db2.gz KPOZRPUKIMKWRX-PBHICJAKSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736399839 598942613 /nfs/dbraw/zinc/94/26/13/598942613.db2.gz KPOZRPUKIMKWRX-PBHICJAKSA-N -1 3 392.463 3.753 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737357720 598966849 /nfs/dbraw/zinc/96/68/49/598966849.db2.gz SOUYEPLWOKSWKX-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737357720 598966850 /nfs/dbraw/zinc/96/68/50/598966850.db2.gz SOUYEPLWOKSWKX-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000737292630 598966864 /nfs/dbraw/zinc/96/68/64/598966864.db2.gz WRKGIHADTDTUBG-LLVKDONJSA-N -1 3 379.449 3.668 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000737292630 598966865 /nfs/dbraw/zinc/96/68/65/598966865.db2.gz WRKGIHADTDTUBG-LLVKDONJSA-N -1 3 379.449 3.668 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(OCc2cccc(-c3nc(-c4cccnc4)no3)c2)c1 ZINC000738444973 598969449 /nfs/dbraw/zinc/96/94/49/598969449.db2.gz BEVCUAAIHLWPQC-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(OCc2cccc(-c3nc(-c4cccnc4)no3)c2)c1 ZINC000738444973 598969451 /nfs/dbraw/zinc/96/94/51/598969451.db2.gz BEVCUAAIHLWPQC-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1Cl ZINC000738383729 598974863 /nfs/dbraw/zinc/97/48/63/598974863.db2.gz PSUUQHHUHPYERJ-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1Cl ZINC000738383729 598974865 /nfs/dbraw/zinc/97/48/65/598974865.db2.gz PSUUQHHUHPYERJ-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504584 598989199 /nfs/dbraw/zinc/98/91/99/598989199.db2.gz GPOUSMJYGJPCRX-CYBMUJFWSA-N -1 3 392.438 3.639 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504584 598989201 /nfs/dbraw/zinc/98/92/01/598989201.db2.gz GPOUSMJYGJPCRX-CYBMUJFWSA-N -1 3 392.438 3.639 20 0 GHADHM CCCC(C)(C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736415682 599000329 /nfs/dbraw/zinc/00/03/29/599000329.db2.gz IWNOAYXTTALBKM-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1cc(C)sc1C ZINC000737033240 599009959 /nfs/dbraw/zinc/00/99/59/599009959.db2.gz UPQYEIMUALXGBQ-UHFFFAOYSA-N -1 3 376.507 3.866 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1cc(C)sc1C ZINC000737033240 599009960 /nfs/dbraw/zinc/00/99/60/599009960.db2.gz UPQYEIMUALXGBQ-UHFFFAOYSA-N -1 3 376.507 3.866 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000737024337 599015741 /nfs/dbraw/zinc/01/57/41/599015741.db2.gz GJMRFAVMPUYCTL-LBPRGKRZSA-N -1 3 384.823 3.554 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000737024337 599015743 /nfs/dbraw/zinc/01/57/43/599015743.db2.gz GJMRFAVMPUYCTL-LBPRGKRZSA-N -1 3 384.823 3.554 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Oc1ccccn1 ZINC000738232987 599016974 /nfs/dbraw/zinc/01/69/74/599016974.db2.gz YYJIUJYIQWUFGI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Oc1ccccn1 ZINC000738232987 599016975 /nfs/dbraw/zinc/01/69/75/599016975.db2.gz YYJIUJYIQWUFGI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735639126 599017991 /nfs/dbraw/zinc/01/79/91/599017991.db2.gz BKBWNRMHHAJDFA-UHFFFAOYSA-N -1 3 397.504 3.916 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735639126 599017994 /nfs/dbraw/zinc/01/79/94/599017994.db2.gz BKBWNRMHHAJDFA-UHFFFAOYSA-N -1 3 397.504 3.916 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC000737058891 599020874 /nfs/dbraw/zinc/02/08/74/599020874.db2.gz PLYAICPQYHITRN-UHFFFAOYSA-N -1 3 392.463 3.689 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC000737058891 599020876 /nfs/dbraw/zinc/02/08/76/599020876.db2.gz PLYAICPQYHITRN-UHFFFAOYSA-N -1 3 392.463 3.689 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737293327 599021080 /nfs/dbraw/zinc/02/10/80/599021080.db2.gz BSWBYUPXOXGCGO-IAQYHMDHSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737293327 599021082 /nfs/dbraw/zinc/02/10/82/599021082.db2.gz BSWBYUPXOXGCGO-IAQYHMDHSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NCC(=O)N[C@H](c2cccs2)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822115710 607257333 /nfs/dbraw/zinc/25/73/33/607257333.db2.gz HQSAJAJPXSPHDT-QGZVFWFLSA-N -1 3 384.509 3.552 20 0 GHADHM Cc1c(NCC(=O)N[C@H](c2cccs2)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822115710 607257334 /nfs/dbraw/zinc/25/73/34/607257334.db2.gz HQSAJAJPXSPHDT-QGZVFWFLSA-N -1 3 384.509 3.552 20 0 GHADHM Cc1c(NCC(=O)Nc2ccccc2-c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822122528 607257444 /nfs/dbraw/zinc/25/74/44/607257444.db2.gz NPJMPXDGUNEHBM-UHFFFAOYSA-N -1 3 384.443 3.893 20 0 GHADHM Cc1c(NCC(=O)Nc2ccccc2-c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822122528 607257445 /nfs/dbraw/zinc/25/74/45/607257445.db2.gz NPJMPXDGUNEHBM-UHFFFAOYSA-N -1 3 384.443 3.893 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000737631472 599052839 /nfs/dbraw/zinc/05/28/39/599052839.db2.gz DHUPBSOQNAAWNK-ZFWWWQNUSA-N -1 3 390.369 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000737631472 599052842 /nfs/dbraw/zinc/05/28/42/599052842.db2.gz DHUPBSOQNAAWNK-ZFWWWQNUSA-N -1 3 390.369 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCc2c[nH]c3ccccc23)n1 ZINC000737635906 599055346 /nfs/dbraw/zinc/05/53/46/599055346.db2.gz PTTUCNPOUOMAAQ-UHFFFAOYSA-N -1 3 387.369 3.807 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCc2c[nH]c3ccccc23)n1 ZINC000737635906 599055349 /nfs/dbraw/zinc/05/53/49/599055349.db2.gz PTTUCNPOUOMAAQ-UHFFFAOYSA-N -1 3 387.369 3.807 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737356947 599064450 /nfs/dbraw/zinc/06/44/50/599064450.db2.gz KJMWVFOYHXFJSB-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737356947 599064454 /nfs/dbraw/zinc/06/44/54/599064454.db2.gz KJMWVFOYHXFJSB-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cn1ccnc1COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737614969 599066010 /nfs/dbraw/zinc/06/60/10/599066010.db2.gz CRQSJMPMMSYNFW-UHFFFAOYSA-N -1 3 396.451 3.611 20 0 GHADHM Cn1ccnc1COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737614969 599066012 /nfs/dbraw/zinc/06/60/12/599066012.db2.gz CRQSJMPMMSYNFW-UHFFFAOYSA-N -1 3 396.451 3.611 20 0 GHADHM CCc1cccc(CC)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736697426 599068230 /nfs/dbraw/zinc/06/82/30/599068230.db2.gz DVDBPOBCDLACMF-UHFFFAOYSA-N -1 3 385.468 3.861 20 0 GHADHM CCc1cccc(CC)c1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736697426 599068233 /nfs/dbraw/zinc/06/82/33/599068233.db2.gz DVDBPOBCDLACMF-UHFFFAOYSA-N -1 3 385.468 3.861 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735874438 599070662 /nfs/dbraw/zinc/07/06/62/599070662.db2.gz IKZOLNJRFXPJHU-AEFFLSMTSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735874438 599070664 /nfs/dbraw/zinc/07/06/64/599070664.db2.gz IKZOLNJRFXPJHU-AEFFLSMTSA-N -1 3 397.429 3.686 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccco1 ZINC000735558938 599072980 /nfs/dbraw/zinc/07/29/80/599072980.db2.gz IBFGNGZKBZGFQF-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccco1 ZINC000735558938 599072982 /nfs/dbraw/zinc/07/29/82/599072982.db2.gz IBFGNGZKBZGFQF-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM CC1(C)CCC(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736211542 599084148 /nfs/dbraw/zinc/08/41/48/599084148.db2.gz OHTDUBCXMHOMHK-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CC1(C)CCC(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736211542 599084150 /nfs/dbraw/zinc/08/41/50/599084150.db2.gz OHTDUBCXMHOMHK-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CC1(C)CCC(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736210067 599084420 /nfs/dbraw/zinc/08/44/20/599084420.db2.gz DXLMLGUWURYUDE-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736245509 599087141 /nfs/dbraw/zinc/08/71/41/599087141.db2.gz SKEQYAGCESBLHF-LSDHHAIUSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736245509 599087144 /nfs/dbraw/zinc/08/71/44/599087144.db2.gz SKEQYAGCESBLHF-LSDHHAIUSA-N -1 3 392.463 3.705 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737389122 599103712 /nfs/dbraw/zinc/10/37/12/599103712.db2.gz IOIVXTWCCABBLX-QFBILLFUSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737389122 599103714 /nfs/dbraw/zinc/10/37/14/599103714.db2.gz IOIVXTWCCABBLX-QFBILLFUSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccn2)cc1 ZINC000737333382 599105366 /nfs/dbraw/zinc/10/53/66/599105366.db2.gz ADIXSFAENPDJBF-HXUWFJFHSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)cc1 ZINC000737333382 599105369 /nfs/dbraw/zinc/10/53/69/599105369.db2.gz ADIXSFAENPDJBF-HXUWFJFHSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822233085 599108355 /nfs/dbraw/zinc/10/83/55/599108355.db2.gz HSCFHKCMRUFUDD-RHSMWYFYSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822233085 599108357 /nfs/dbraw/zinc/10/83/57/599108357.db2.gz HSCFHKCMRUFUDD-RHSMWYFYSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1cccc2oc(CCNc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)nc21 ZINC000822341294 599111832 /nfs/dbraw/zinc/11/18/32/599111832.db2.gz VNXHLWJIIGJILI-UHFFFAOYSA-N -1 3 388.353 3.990 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000737409487 599124735 /nfs/dbraw/zinc/12/47/35/599124735.db2.gz ORQJDWZWKCIESH-BEFAXECRSA-N -1 3 386.459 3.690 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000737409487 599124737 /nfs/dbraw/zinc/12/47/37/599124737.db2.gz ORQJDWZWKCIESH-BEFAXECRSA-N -1 3 386.459 3.690 20 0 GHADHM COc1ccccc1[C@H](C)SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821882746 599128596 /nfs/dbraw/zinc/12/85/96/599128596.db2.gz JPAVRPQCIPXPCW-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccccc1[C@H](C)SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821882746 599128597 /nfs/dbraw/zinc/12/85/97/599128597.db2.gz JPAVRPQCIPXPCW-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1 ZINC000822203023 599142088 /nfs/dbraw/zinc/14/20/88/599142088.db2.gz ABYWCLPCOJGWTE-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000822203023 599142091 /nfs/dbraw/zinc/14/20/91/599142091.db2.gz ABYWCLPCOJGWTE-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(CCC(F)(F)F)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822950423 599154617 /nfs/dbraw/zinc/15/46/17/599154617.db2.gz NMVYBWWCNMQSMG-UHFFFAOYSA-N -1 3 381.383 3.554 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737329317 599159012 /nfs/dbraw/zinc/15/90/12/599159012.db2.gz FZKWGWSATFJKHP-AWEZNQCLSA-N -1 3 388.884 3.955 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737329317 599159013 /nfs/dbraw/zinc/15/90/13/599159013.db2.gz FZKWGWSATFJKHP-AWEZNQCLSA-N -1 3 388.884 3.955 20 0 GHADHM Cc1ccccc1-c1cnc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)o1 ZINC000737469690 599162260 /nfs/dbraw/zinc/16/22/60/599162260.db2.gz BIAAICVPCSNNQN-UHFFFAOYSA-N -1 3 379.449 3.529 20 0 GHADHM FC(F)(F)c1ccccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737639396 599163151 /nfs/dbraw/zinc/16/31/51/599163151.db2.gz SYRCGKUYUYNEMW-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM FC(F)(F)c1ccccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737639396 599163154 /nfs/dbraw/zinc/16/31/54/599163154.db2.gz SYRCGKUYUYNEMW-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM O=c1[nH]c(CSc2ccc(-c3nnn[n-]3)cc2F)nc2cc(Cl)ccc12 ZINC000738373473 599171990 /nfs/dbraw/zinc/17/19/90/599171990.db2.gz DFOIFJUXRKILCF-UHFFFAOYSA-N -1 3 388.815 3.600 20 0 GHADHM O=c1[nH]c(CSc2ccc(-c3nn[n-]n3)cc2F)nc2cc(Cl)ccc12 ZINC000738373473 599171993 /nfs/dbraw/zinc/17/19/93/599171993.db2.gz DFOIFJUXRKILCF-UHFFFAOYSA-N -1 3 388.815 3.600 20 0 GHADHM COc1cc(CSc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000737047657 599173572 /nfs/dbraw/zinc/17/35/72/599173572.db2.gz OSJMRVIJDIOMLY-UHFFFAOYSA-N -1 3 382.367 3.908 20 0 GHADHM COc1cc(CSc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000737047657 599173575 /nfs/dbraw/zinc/17/35/75/599173575.db2.gz OSJMRVIJDIOMLY-UHFFFAOYSA-N -1 3 382.367 3.908 20 0 GHADHM O=C(CNc1ccc(OC2CCCCC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737900194 599173897 /nfs/dbraw/zinc/17/38/97/599173897.db2.gz WRGWMRASFGJLRY-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM O=C(CNc1ccc(OC2CCCCC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737900194 599173899 /nfs/dbraw/zinc/17/38/99/599173899.db2.gz WRGWMRASFGJLRY-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM Fc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000737648918 599176526 /nfs/dbraw/zinc/17/65/26/599176526.db2.gz CNNVFSWOWZSSJX-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM Fc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000737648918 599176529 /nfs/dbraw/zinc/17/65/29/599176529.db2.gz CNNVFSWOWZSSJX-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM CCCCCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821061712 599179183 /nfs/dbraw/zinc/17/91/83/599179183.db2.gz SJIJBWXSEZLNDQ-UHFFFAOYSA-N -1 3 383.427 3.505 20 0 GHADHM CCCCCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821061712 599179186 /nfs/dbraw/zinc/17/91/86/599179186.db2.gz SJIJBWXSEZLNDQ-UHFFFAOYSA-N -1 3 383.427 3.505 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938478 599180694 /nfs/dbraw/zinc/18/06/94/599180694.db2.gz JSGSXZRUUKBHJW-GOSISDBHSA-N -1 3 397.454 3.603 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938478 599180696 /nfs/dbraw/zinc/18/06/96/599180696.db2.gz JSGSXZRUUKBHJW-GOSISDBHSA-N -1 3 397.454 3.603 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000737330249 599181806 /nfs/dbraw/zinc/18/18/06/599181806.db2.gz IOTJDDQOSPKIIP-CQSZACIVSA-N -1 3 383.456 3.694 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000737330249 599181808 /nfs/dbraw/zinc/18/18/08/599181808.db2.gz IOTJDDQOSPKIIP-CQSZACIVSA-N -1 3 383.456 3.694 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735680835 599182156 /nfs/dbraw/zinc/18/21/56/599182156.db2.gz ZROSWGMJEWUJLP-HNNXBMFYSA-N -1 3 377.448 3.703 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735680835 599182158 /nfs/dbraw/zinc/18/21/58/599182158.db2.gz ZROSWGMJEWUJLP-HNNXBMFYSA-N -1 3 377.448 3.703 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821948557 599186063 /nfs/dbraw/zinc/18/60/63/599186063.db2.gz CONLISPEWMBUOI-UONOGXRCSA-N -1 3 379.489 3.548 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000821948557 599186064 /nfs/dbraw/zinc/18/60/64/599186064.db2.gz CONLISPEWMBUOI-UONOGXRCSA-N -1 3 379.489 3.548 20 0 GHADHM CCCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736414985 599187210 /nfs/dbraw/zinc/18/72/10/599187210.db2.gz CVKBFDJOMYSBHL-UHFFFAOYSA-N -1 3 381.440 3.754 20 0 GHADHM CCCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736414985 599187212 /nfs/dbraw/zinc/18/72/12/599187212.db2.gz CVKBFDJOMYSBHL-UHFFFAOYSA-N -1 3 381.440 3.754 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736448380 599197454 /nfs/dbraw/zinc/19/74/54/599197454.db2.gz XTGRFFSYMAFBAI-IBGZPJMESA-N -1 3 398.555 3.508 20 0 GHADHM Cc1ccncc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822379945 599219244 /nfs/dbraw/zinc/21/92/44/599219244.db2.gz WNYFQLSJHGCEDT-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccncc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822379945 599219246 /nfs/dbraw/zinc/21/92/46/599219246.db2.gz WNYFQLSJHGCEDT-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)cn1 ZINC000822227432 599221927 /nfs/dbraw/zinc/22/19/27/599221927.db2.gz IKYQHFCBVDWLTF-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)cn1 ZINC000822227432 599221929 /nfs/dbraw/zinc/22/19/29/599221929.db2.gz IKYQHFCBVDWLTF-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(N2CC[C@H](S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000822241557 599223781 /nfs/dbraw/zinc/22/37/81/599223781.db2.gz ZRDIQCOOBKRSKP-KDOFPFPSSA-N -1 3 379.489 3.775 20 0 GHADHM Cc1ccc(N2CC[C@H](S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000822241557 599223782 /nfs/dbraw/zinc/22/37/82/599223782.db2.gz ZRDIQCOOBKRSKP-KDOFPFPSSA-N -1 3 379.489 3.775 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)Nc1cccc(OCC)c1 ZINC000821105178 599225158 /nfs/dbraw/zinc/22/51/58/599225158.db2.gz XOIYJCBTKZPUQG-UHFFFAOYSA-N -1 3 396.520 3.874 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)Nc1cccc(OCC)c1 ZINC000821105178 599225161 /nfs/dbraw/zinc/22/51/61/599225161.db2.gz XOIYJCBTKZPUQG-UHFFFAOYSA-N -1 3 396.520 3.874 20 0 GHADHM CC(C)(C)NC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819922756 599230484 /nfs/dbraw/zinc/23/04/84/599230484.db2.gz OJILCKKRYZVAOV-UHFFFAOYSA-N -1 3 386.456 3.883 20 0 GHADHM CC(C)(C)NC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819922756 599230487 /nfs/dbraw/zinc/23/04/87/599230487.db2.gz OJILCKKRYZVAOV-UHFFFAOYSA-N -1 3 386.456 3.883 20 0 GHADHM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820192773 607262781 /nfs/dbraw/zinc/26/27/81/607262781.db2.gz YWUKXYKPJIDXAL-UHFFFAOYSA-N -1 3 382.855 3.632 20 0 GHADHM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820192773 607262782 /nfs/dbraw/zinc/26/27/82/607262782.db2.gz YWUKXYKPJIDXAL-UHFFFAOYSA-N -1 3 382.855 3.632 20 0 GHADHM O=C(Nc1ccccc1-c1cccs1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823368514 607263329 /nfs/dbraw/zinc/26/33/29/607263329.db2.gz ZEULGTHBLRDGET-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1cccs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823368514 607263330 /nfs/dbraw/zinc/26/33/30/607263330.db2.gz ZEULGTHBLRDGET-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1C2CCCC1CCC2 ZINC000738258109 599227411 /nfs/dbraw/zinc/22/74/11/599227411.db2.gz NYDOLBCBIVCIBH-UHFFFAOYSA-N -1 3 393.447 3.586 20 0 GHADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1C2CCCC1CCC2 ZINC000738258109 599227414 /nfs/dbraw/zinc/22/74/14/599227414.db2.gz NYDOLBCBIVCIBH-UHFFFAOYSA-N -1 3 393.447 3.586 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820379332 599235186 /nfs/dbraw/zinc/23/51/86/599235186.db2.gz AQTGTHQDBYSQGS-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820379332 599235189 /nfs/dbraw/zinc/23/51/89/599235189.db2.gz AQTGTHQDBYSQGS-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM COc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821835972 599239229 /nfs/dbraw/zinc/23/92/29/599239229.db2.gz VWWYFSROGKZYBO-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821835972 599239232 /nfs/dbraw/zinc/23/92/32/599239232.db2.gz VWWYFSROGKZYBO-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233302 599240958 /nfs/dbraw/zinc/24/09/58/599240958.db2.gz LWKWSKQXZUFUOA-RTBURBONSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233302 599240960 /nfs/dbraw/zinc/24/09/60/599240960.db2.gz LWKWSKQXZUFUOA-RTBURBONSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233301 599241126 /nfs/dbraw/zinc/24/11/26/599241126.db2.gz LWKWSKQXZUFUOA-RBUKOAKNSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233301 599241129 /nfs/dbraw/zinc/24/11/29/599241129.db2.gz LWKWSKQXZUFUOA-RBUKOAKNSA-N -1 3 376.464 3.975 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CSc2ccccc21 ZINC000738410484 599246795 /nfs/dbraw/zinc/24/67/95/599246795.db2.gz ZFQPQZGABPMQOJ-CYBMUJFWSA-N -1 3 388.909 3.654 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CSc2ccccc21 ZINC000738410484 599246797 /nfs/dbraw/zinc/24/67/97/599246797.db2.gz ZFQPQZGABPMQOJ-CYBMUJFWSA-N -1 3 388.909 3.654 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737805551 599247393 /nfs/dbraw/zinc/24/73/93/599247393.db2.gz ISBOPNIWTSYWBT-FMIVXFBMSA-N -1 3 396.454 3.619 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737805551 599247395 /nfs/dbraw/zinc/24/73/95/599247395.db2.gz ISBOPNIWTSYWBT-FMIVXFBMSA-N -1 3 396.454 3.619 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735873480 599247674 /nfs/dbraw/zinc/24/76/74/599247674.db2.gz AYHXRKMKUUGUAE-VAWYXSNFSA-N -1 3 398.470 3.865 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735873480 599247676 /nfs/dbraw/zinc/24/76/76/599247676.db2.gz AYHXRKMKUUGUAE-VAWYXSNFSA-N -1 3 398.470 3.865 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736234177 599249021 /nfs/dbraw/zinc/24/90/21/599249021.db2.gz IJOMFPNLZIHTME-SCLBCKFNSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736234177 599249025 /nfs/dbraw/zinc/24/90/25/599249025.db2.gz IJOMFPNLZIHTME-SCLBCKFNSA-N -1 3 397.479 3.708 20 0 GHADHM CC(C)COc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820102797 599256575 /nfs/dbraw/zinc/25/65/75/599256575.db2.gz KWSFPPJHXQAXBY-AWEZNQCLSA-N -1 3 380.452 3.784 20 0 GHADHM CC(C)COc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820102797 599256576 /nfs/dbraw/zinc/25/65/76/599256576.db2.gz KWSFPPJHXQAXBY-AWEZNQCLSA-N -1 3 380.452 3.784 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CCC2 ZINC000821508867 607292954 /nfs/dbraw/zinc/29/29/54/607292954.db2.gz BWZQRQYEHGZJCP-HNNXBMFYSA-N -1 3 397.508 3.735 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CCC2 ZINC000821508867 607292955 /nfs/dbraw/zinc/29/29/55/607292955.db2.gz BWZQRQYEHGZJCP-HNNXBMFYSA-N -1 3 397.508 3.735 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822233740 607294183 /nfs/dbraw/zinc/29/41/83/607294183.db2.gz UKOVLHVGWJLLBA-HKUYNNGSSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822233740 607294184 /nfs/dbraw/zinc/29/41/84/607294184.db2.gz UKOVLHVGWJLLBA-HKUYNNGSSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1c(NC(=O)C2(c3cccc(Br)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822060258 607294890 /nfs/dbraw/zinc/29/48/90/607294890.db2.gz GHHNRTGQYCTGPD-UHFFFAOYSA-N -1 3 398.264 3.608 20 0 GHADHM Cc1c(NC(=O)C2(c3cccc(Br)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822060258 607294891 /nfs/dbraw/zinc/29/48/91/607294891.db2.gz GHHNRTGQYCTGPD-UHFFFAOYSA-N -1 3 398.264 3.608 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913639 599260224 /nfs/dbraw/zinc/26/02/24/599260224.db2.gz IJSQIASJXWYOIG-DNVCBOLYSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913639 599260226 /nfs/dbraw/zinc/26/02/26/599260226.db2.gz IJSQIASJXWYOIG-DNVCBOLYSA-N -1 3 378.480 3.590 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147052 607299635 /nfs/dbraw/zinc/29/96/35/607299635.db2.gz DYONZRUZHGWFAR-VVOKDJNJSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147052 607299636 /nfs/dbraw/zinc/29/96/36/607299636.db2.gz DYONZRUZHGWFAR-VVOKDJNJSA-N -1 3 382.855 3.538 20 0 GHADHM CCc1ccccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821492764 607309607 /nfs/dbraw/zinc/30/96/07/607309607.db2.gz WPUGMHMKFWZUCP-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1ccccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821492764 607309608 /nfs/dbraw/zinc/30/96/08/607309608.db2.gz WPUGMHMKFWZUCP-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM COc1ccc(CNc2cc(F)ccc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821821811 607311582 /nfs/dbraw/zinc/31/15/82/607311582.db2.gz YFOKRANVEFRNMN-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1ccc(CNc2cc(F)ccc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821821811 607311583 /nfs/dbraw/zinc/31/15/83/607311583.db2.gz YFOKRANVEFRNMN-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM CCCOc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821134462 607311645 /nfs/dbraw/zinc/31/16/45/607311645.db2.gz WBKWBGMXNQUKHD-UHFFFAOYSA-N -1 3 395.463 3.624 20 0 GHADHM CCCOc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821134462 607311646 /nfs/dbraw/zinc/31/16/46/607311646.db2.gz WBKWBGMXNQUKHD-UHFFFAOYSA-N -1 3 395.463 3.624 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)C1CCC1 ZINC000822211549 599265238 /nfs/dbraw/zinc/26/52/38/599265238.db2.gz DMICIDWEXBAFFO-UHFFFAOYSA-N -1 3 378.436 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N(C)C1CCC1 ZINC000822211549 599265241 /nfs/dbraw/zinc/26/52/41/599265241.db2.gz DMICIDWEXBAFFO-UHFFFAOYSA-N -1 3 378.436 3.984 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)n1 ZINC000820898255 607303514 /nfs/dbraw/zinc/30/35/14/607303514.db2.gz XIVWGHSWYGMMQM-NSHDSACASA-N -1 3 399.524 3.863 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)n1 ZINC000820898255 607303515 /nfs/dbraw/zinc/30/35/15/607303515.db2.gz XIVWGHSWYGMMQM-NSHDSACASA-N -1 3 399.524 3.863 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000820902270 607303683 /nfs/dbraw/zinc/30/36/83/607303683.db2.gz IVLCUOOZBNWCKT-LLVKDONJSA-N -1 3 399.524 3.863 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820902270 607303684 /nfs/dbraw/zinc/30/36/84/607303684.db2.gz IVLCUOOZBNWCKT-LLVKDONJSA-N -1 3 399.524 3.863 20 0 GHADHM FC(F)c1nnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000822737492 607304832 /nfs/dbraw/zinc/30/48/32/607304832.db2.gz XIIIFEQKCAEGBF-UHFFFAOYSA-N -1 3 391.432 3.996 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820913334 599268723 /nfs/dbraw/zinc/26/87/23/599268723.db2.gz FTSAJBCDUVCJRM-GOSISDBHSA-N -1 3 378.480 3.969 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820913334 599268725 /nfs/dbraw/zinc/26/87/25/599268725.db2.gz FTSAJBCDUVCJRM-GOSISDBHSA-N -1 3 378.480 3.969 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000821505745 599268773 /nfs/dbraw/zinc/26/87/73/599268773.db2.gz SNXNOXAUPQELMF-GFCCVEGCSA-N -1 3 385.497 3.727 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000821505745 599268776 /nfs/dbraw/zinc/26/87/76/599268776.db2.gz SNXNOXAUPQELMF-GFCCVEGCSA-N -1 3 385.497 3.727 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCCC1 ZINC000820374291 599276496 /nfs/dbraw/zinc/27/64/96/599276496.db2.gz NTSWRBBTWJVCIJ-JTQLQIEISA-N -1 3 380.399 3.558 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCCC1 ZINC000820374291 599276497 /nfs/dbraw/zinc/27/64/97/599276497.db2.gz NTSWRBBTWJVCIJ-JTQLQIEISA-N -1 3 380.399 3.558 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OCCC)c1 ZINC000736488414 599277363 /nfs/dbraw/zinc/27/73/63/599277363.db2.gz OTBRHXAQXWTFEI-UHFFFAOYSA-N -1 3 380.452 3.730 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000823299090 599277803 /nfs/dbraw/zinc/27/78/03/599277803.db2.gz HBPOZBBFFBPLPA-NTZNESFSSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000823299090 599277804 /nfs/dbraw/zinc/27/78/04/599277804.db2.gz HBPOZBBFFBPLPA-NTZNESFSSA-N -1 3 392.410 3.558 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821062187 599281099 /nfs/dbraw/zinc/28/10/99/599281099.db2.gz VMYWYYFWFZICGQ-HNNXBMFYSA-N -1 3 393.495 3.986 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821062187 599281103 /nfs/dbraw/zinc/28/11/03/599281103.db2.gz VMYWYYFWFZICGQ-HNNXBMFYSA-N -1 3 393.495 3.986 20 0 GHADHM CC(C)c1nc2cc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc2o1 ZINC000820201924 599282669 /nfs/dbraw/zinc/28/26/69/599282669.db2.gz CFGIMFMNKYRJBB-UHFFFAOYSA-N -1 3 395.398 3.592 20 0 GHADHM CC(C)c1nc2cc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc2o1 ZINC000820201924 599282670 /nfs/dbraw/zinc/28/26/70/599282670.db2.gz CFGIMFMNKYRJBB-UHFFFAOYSA-N -1 3 395.398 3.592 20 0 GHADHM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820301408 599285428 /nfs/dbraw/zinc/28/54/28/599285428.db2.gz XRDTUQQHUFVYNV-SECBINFHSA-N -1 3 396.398 3.700 20 0 GHADHM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820301408 599285430 /nfs/dbraw/zinc/28/54/30/599285430.db2.gz XRDTUQQHUFVYNV-SECBINFHSA-N -1 3 396.398 3.700 20 0 GHADHM Cc1ccc(-c2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2C)cc1 ZINC000737286989 599285636 /nfs/dbraw/zinc/28/56/36/599285636.db2.gz AYJJGTDJJOJZTI-CYBMUJFWSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1ccc(-c2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2C)cc1 ZINC000737286989 599285640 /nfs/dbraw/zinc/28/56/40/599285640.db2.gz AYJJGTDJJOJZTI-CYBMUJFWSA-N -1 3 377.477 3.824 20 0 GHADHM CCN(Cc1ccoc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821230049 599289347 /nfs/dbraw/zinc/28/93/47/599289347.db2.gz AMRIPEJEVGSKKX-UHFFFAOYSA-N -1 3 380.330 3.533 20 0 GHADHM CCN(Cc1ccoc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821230049 599289349 /nfs/dbraw/zinc/28/93/49/599289349.db2.gz AMRIPEJEVGSKKX-UHFFFAOYSA-N -1 3 380.330 3.533 20 0 GHADHM Cc1cscc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826321179 607339158 /nfs/dbraw/zinc/33/91/58/607339158.db2.gz TYSOGJOFUWEGIM-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM O=C([O-])c1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000683170608 598194145 /nfs/dbraw/zinc/19/41/45/598194145.db2.gz JTMBVZPPUCNLPN-UHFFFAOYSA-N -1 3 384.439 3.922 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737796964 598232561 /nfs/dbraw/zinc/23/25/61/598232561.db2.gz HUXDTWWJJURFLO-KTZABMDBSA-N -1 3 377.423 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737796964 598232562 /nfs/dbraw/zinc/23/25/62/598232562.db2.gz HUXDTWWJJURFLO-KTZABMDBSA-N -1 3 377.423 3.677 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736665783 598234606 /nfs/dbraw/zinc/23/46/06/598234606.db2.gz INMJOHYAZBMYKZ-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736666504 598234639 /nfs/dbraw/zinc/23/46/39/598234639.db2.gz JWZZTMMYQVUSGD-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736666504 598234640 /nfs/dbraw/zinc/23/46/40/598234640.db2.gz JWZZTMMYQVUSGD-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM O=C(NCc1cc(F)ccc1F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738101827 598241958 /nfs/dbraw/zinc/24/19/58/598241958.db2.gz MCIPZDGWODPPTA-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1cc(F)ccc1F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738101827 598241959 /nfs/dbraw/zinc/24/19/59/598241959.db2.gz MCIPZDGWODPPTA-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737216358 598244258 /nfs/dbraw/zinc/24/42/58/598244258.db2.gz RSICFOGHOATUPC-UHFFFAOYSA-N -1 3 392.797 3.547 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737216358 598244260 /nfs/dbraw/zinc/24/42/60/598244260.db2.gz RSICFOGHOATUPC-UHFFFAOYSA-N -1 3 392.797 3.547 20 0 GHADHM O=C(Nc1nccs1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738183511 598254918 /nfs/dbraw/zinc/25/49/18/598254918.db2.gz ILZIMVVBDUGQGV-UHFFFAOYSA-N -1 3 379.405 3.760 20 0 GHADHM FC(F)(F)c1ccc(NCc2cn3cc(Cl)ccc3n2)cc1-c1nnn[n-]1 ZINC000822729011 607346610 /nfs/dbraw/zinc/34/66/10/607346610.db2.gz QIVJELQBHJSMAR-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM FC(F)(F)c1ccc(NCc2cn3cc(Cl)ccc3n2)cc1-c1nn[n-]n1 ZINC000822729011 607346611 /nfs/dbraw/zinc/34/66/11/607346611.db2.gz QIVJELQBHJSMAR-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCS1 ZINC000736281968 598266923 /nfs/dbraw/zinc/26/69/23/598266923.db2.gz VRUADOJYOJZSBF-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000736281968 598266927 /nfs/dbraw/zinc/26/69/27/598266927.db2.gz VRUADOJYOJZSBF-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2c1cccc2C ZINC000736480043 598273096 /nfs/dbraw/zinc/27/30/96/598273096.db2.gz IZABZEQKBTYTBP-FQEVSTJZSA-N -1 3 390.491 3.784 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2c1cccc2C ZINC000736480043 598273097 /nfs/dbraw/zinc/27/30/97/598273097.db2.gz IZABZEQKBTYTBP-FQEVSTJZSA-N -1 3 390.491 3.784 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736302365 598276583 /nfs/dbraw/zinc/27/65/83/598276583.db2.gz GRQLZXXSYXZKLP-NSHDSACASA-N -1 3 385.497 3.636 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736302365 598276584 /nfs/dbraw/zinc/27/65/84/598276584.db2.gz GRQLZXXSYXZKLP-NSHDSACASA-N -1 3 385.497 3.636 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735914409 598277984 /nfs/dbraw/zinc/27/79/84/598277984.db2.gz SAWOFGKHZZOOJD-UHFFFAOYSA-N -1 3 383.456 3.854 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735914409 598277985 /nfs/dbraw/zinc/27/79/85/598277985.db2.gz SAWOFGKHZZOOJD-UHFFFAOYSA-N -1 3 383.456 3.854 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)oc2c1c(C)ccc2C ZINC000737326969 598280857 /nfs/dbraw/zinc/28/08/57/598280857.db2.gz VSXSCGAMYILAQN-UHFFFAOYSA-N -1 3 379.395 3.954 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)oc2c1c(C)ccc2C ZINC000737326969 598280859 /nfs/dbraw/zinc/28/08/59/598280859.db2.gz VSXSCGAMYILAQN-UHFFFAOYSA-N -1 3 379.395 3.954 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737318278 598280916 /nfs/dbraw/zinc/28/09/16/598280916.db2.gz UVTSHJNDGYSWPY-AWEZNQCLSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737318278 598280918 /nfs/dbraw/zinc/28/09/18/598280918.db2.gz UVTSHJNDGYSWPY-AWEZNQCLSA-N -1 3 397.454 3.868 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1ccc2ccccc2c1 ZINC000737639372 598295937 /nfs/dbraw/zinc/29/59/37/598295937.db2.gz PSQFTWOMUAMDLZ-UHFFFAOYSA-N -1 3 378.436 3.646 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1ccc2ccccc2c1 ZINC000737639372 598295939 /nfs/dbraw/zinc/29/59/39/598295939.db2.gz PSQFTWOMUAMDLZ-UHFFFAOYSA-N -1 3 378.436 3.646 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110105 598303488 /nfs/dbraw/zinc/30/34/88/598303488.db2.gz FWJIAFYLUNXQBM-CYBMUJFWSA-N -1 3 392.438 3.718 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110105 598303490 /nfs/dbraw/zinc/30/34/90/598303490.db2.gz FWJIAFYLUNXQBM-CYBMUJFWSA-N -1 3 392.438 3.718 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735648254 598304609 /nfs/dbraw/zinc/30/46/09/598304609.db2.gz BFUSKKYRTQETTI-UHFFFAOYSA-N -1 3 381.455 3.552 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735648254 598304611 /nfs/dbraw/zinc/30/46/11/598304611.db2.gz BFUSKKYRTQETTI-UHFFFAOYSA-N -1 3 381.455 3.552 20 0 GHADHM Fc1cccc(-n2ccc(CSCCOc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737665853 598313884 /nfs/dbraw/zinc/31/38/84/598313884.db2.gz JMBFWZVMSWZOFI-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM O=C1[C@@H](S[C@@H]2CCCc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297660 598316677 /nfs/dbraw/zinc/31/66/77/598316677.db2.gz TXZQRCVSCWGQPU-MOPGFXCFSA-N -1 3 391.500 3.783 20 0 GHADHM O=C1[C@@H](S[C@@H]2CCCc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297660 598316679 /nfs/dbraw/zinc/31/66/79/598316679.db2.gz TXZQRCVSCWGQPU-MOPGFXCFSA-N -1 3 391.500 3.783 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000736126917 598321771 /nfs/dbraw/zinc/32/17/71/598321771.db2.gz PIKGVLFJLWEWGQ-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC000736126917 598321773 /nfs/dbraw/zinc/32/17/73/598321773.db2.gz PIKGVLFJLWEWGQ-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM CC1CCC(N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736242243 598325545 /nfs/dbraw/zinc/32/55/45/598325545.db2.gz QOIBECMYIKSCSL-UHFFFAOYSA-N -1 3 395.463 3.689 20 0 GHADHM CC1CCC(N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736242243 598325546 /nfs/dbraw/zinc/32/55/46/598325546.db2.gz QOIBECMYIKSCSL-UHFFFAOYSA-N -1 3 395.463 3.689 20 0 GHADHM CN(C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CCCCCC1 ZINC000736740815 598325824 /nfs/dbraw/zinc/32/58/24/598325824.db2.gz FWKNZVHCWJQCGB-UHFFFAOYSA-N -1 3 395.463 3.834 20 0 GHADHM CN(C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CCCCCC1 ZINC000736740815 598325825 /nfs/dbraw/zinc/32/58/25/598325825.db2.gz FWKNZVHCWJQCGB-UHFFFAOYSA-N -1 3 395.463 3.834 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737320557 598327175 /nfs/dbraw/zinc/32/71/75/598327175.db2.gz NADFVFMFQWWEMA-CQSZACIVSA-N -1 3 382.443 3.525 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737320557 598327176 /nfs/dbraw/zinc/32/71/76/598327176.db2.gz NADFVFMFQWWEMA-CQSZACIVSA-N -1 3 382.443 3.525 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737392913 598328415 /nfs/dbraw/zinc/32/84/15/598328415.db2.gz AHXCNIYKVUKROY-UHFFFAOYSA-N -1 3 396.470 3.682 20 0 GHADHM Cc1cccc(CN(CC(C)C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737392913 598328416 /nfs/dbraw/zinc/32/84/16/598328416.db2.gz AHXCNIYKVUKROY-UHFFFAOYSA-N -1 3 396.470 3.682 20 0 GHADHM C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736155704 598331227 /nfs/dbraw/zinc/33/12/27/598331227.db2.gz OXZKJPFEZQYYMK-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736155704 598331229 /nfs/dbraw/zinc/33/12/29/598331229.db2.gz OXZKJPFEZQYYMK-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000520686143 598357836 /nfs/dbraw/zinc/35/78/36/598357836.db2.gz RLJOGUWXBHLSRS-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000520686143 598357838 /nfs/dbraw/zinc/35/78/38/598357838.db2.gz RLJOGUWXBHLSRS-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM O=C(OCc1ccccc1)c1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738233680 598365005 /nfs/dbraw/zinc/36/50/05/598365005.db2.gz FMVBNJJNPFXQQP-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM O=C(OCc1ccccc1)c1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738233680 598365007 /nfs/dbraw/zinc/36/50/07/598365007.db2.gz FMVBNJJNPFXQQP-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM c1ccc(-c2noc([C@H]3CCCCN3Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738425768 598375116 /nfs/dbraw/zinc/37/51/16/598375116.db2.gz NPLFHTNSLAHBNP-GOSISDBHSA-N -1 3 387.447 3.644 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)c(Cl)c1 ZINC000738321030 598381460 /nfs/dbraw/zinc/38/14/60/598381460.db2.gz VETABKWMDNPVTH-RIYZIHGNSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)c(Cl)c1 ZINC000738321030 598381461 /nfs/dbraw/zinc/38/14/61/598381461.db2.gz VETABKWMDNPVTH-RIYZIHGNSA-N -1 3 386.198 3.518 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737798087 598382184 /nfs/dbraw/zinc/38/21/84/598382184.db2.gz GIOOYBIGNJMCFR-DHZHZOJOSA-N -1 3 392.438 3.648 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(F)ccc1N1CCCCC1 ZINC000737798087 598382185 /nfs/dbraw/zinc/38/21/85/598382185.db2.gz GIOOYBIGNJMCFR-DHZHZOJOSA-N -1 3 392.438 3.648 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2c1ccn2C ZINC000735830469 598383860 /nfs/dbraw/zinc/38/38/60/598383860.db2.gz GADLZEKDTXZXKJ-UHFFFAOYSA-N -1 3 388.475 3.657 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2c1ccn2C ZINC000735830469 598383861 /nfs/dbraw/zinc/38/38/61/598383861.db2.gz GADLZEKDTXZXKJ-UHFFFAOYSA-N -1 3 388.475 3.657 20 0 GHADHM CCCCOc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000736463534 598389890 /nfs/dbraw/zinc/38/98/90/598389890.db2.gz PADOIFNFZWJXKJ-UHFFFAOYSA-N -1 3 388.859 3.715 20 0 GHADHM CCCCOc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000736463534 598389891 /nfs/dbraw/zinc/38/98/91/598389891.db2.gz PADOIFNFZWJXKJ-UHFFFAOYSA-N -1 3 388.859 3.715 20 0 GHADHM Clc1cccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3Cl)o2)c1 ZINC000737576555 598393053 /nfs/dbraw/zinc/39/30/53/598393053.db2.gz YZYULTDKBYGLFB-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000737576555 598393055 /nfs/dbraw/zinc/39/30/55/598393055.db2.gz YZYULTDKBYGLFB-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736164884 598415355 /nfs/dbraw/zinc/41/53/55/598415355.db2.gz QMEOBDVDKPTODP-ZETCQYMHSA-N -1 3 384.248 3.641 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736164884 598415357 /nfs/dbraw/zinc/41/53/57/598415357.db2.gz QMEOBDVDKPTODP-ZETCQYMHSA-N -1 3 384.248 3.641 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736686740 598416947 /nfs/dbraw/zinc/41/69/47/598416947.db2.gz QQCSFKVAUSQHHX-KGLIPLIRSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736686740 598416948 /nfs/dbraw/zinc/41/69/48/598416948.db2.gz QQCSFKVAUSQHHX-KGLIPLIRSA-N -1 3 381.505 3.787 20 0 GHADHM c1ccc(N2CCCCCC2)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738436036 598419013 /nfs/dbraw/zinc/41/90/13/598419013.db2.gz MOJMOFCRFLAQQX-UHFFFAOYSA-N -1 3 378.480 3.738 20 0 GHADHM C[C@@H](NC(=O)c1sccc1SC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123782 598420948 /nfs/dbraw/zinc/42/09/48/598420948.db2.gz DFHMVZWPGJQLQZ-MRVPVSSYSA-N -1 3 381.433 3.734 20 0 GHADHM C[C@@H](NC(=O)c1sccc1SC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123782 598420950 /nfs/dbraw/zinc/42/09/50/598420950.db2.gz DFHMVZWPGJQLQZ-MRVPVSSYSA-N -1 3 381.433 3.734 20 0 GHADHM CC(C)(C(=O)OCc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000735582937 598425432 /nfs/dbraw/zinc/42/54/32/598425432.db2.gz OQNJMMVREPXGIL-UHFFFAOYSA-N -1 3 390.365 3.907 20 0 GHADHM CC(C)(C(=O)OCc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000735582937 598425434 /nfs/dbraw/zinc/42/54/34/598425434.db2.gz OQNJMMVREPXGIL-UHFFFAOYSA-N -1 3 390.365 3.907 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736166056 598426052 /nfs/dbraw/zinc/42/60/52/598426052.db2.gz YCEKFYPGGSCHTK-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736166056 598426054 /nfs/dbraw/zinc/42/60/54/598426054.db2.gz YCEKFYPGGSCHTK-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737860421 598431669 /nfs/dbraw/zinc/43/16/69/598431669.db2.gz PXTINXNTLIXWRW-UHFFFAOYSA-N -1 3 399.863 3.806 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737860421 598431671 /nfs/dbraw/zinc/43/16/71/598431671.db2.gz PXTINXNTLIXWRW-UHFFFAOYSA-N -1 3 399.863 3.806 20 0 GHADHM CCS[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(C)C ZINC000736666432 598441368 /nfs/dbraw/zinc/44/13/68/598441368.db2.gz RYULSOWVAKEDBH-AWEZNQCLSA-N -1 3 388.522 3.706 20 0 GHADHM CCS[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(C)C ZINC000736666432 598441370 /nfs/dbraw/zinc/44/13/70/598441370.db2.gz RYULSOWVAKEDBH-AWEZNQCLSA-N -1 3 388.522 3.706 20 0 GHADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736202050 598446500 /nfs/dbraw/zinc/44/65/00/598446500.db2.gz ZCQFFXJRRZFVNH-CQSZACIVSA-N -1 3 384.443 3.781 20 0 GHADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736202050 598446502 /nfs/dbraw/zinc/44/65/02/598446502.db2.gz ZCQFFXJRRZFVNH-CQSZACIVSA-N -1 3 384.443 3.781 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736166983 598450131 /nfs/dbraw/zinc/45/01/31/598450131.db2.gz BQHFLGOTMYQWPU-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735678378 598450223 /nfs/dbraw/zinc/45/02/23/598450223.db2.gz OUCZYAPIVFTFHP-UHFFFAOYSA-N -1 3 375.354 3.551 20 0 GHADHM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735678378 598450225 /nfs/dbraw/zinc/45/02/25/598450225.db2.gz OUCZYAPIVFTFHP-UHFFFAOYSA-N -1 3 375.354 3.551 20 0 GHADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737592123 598450504 /nfs/dbraw/zinc/45/05/04/598450504.db2.gz XWVOSCCHHSVYIE-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737592123 598450505 /nfs/dbraw/zinc/45/05/05/598450505.db2.gz XWVOSCCHHSVYIE-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737853233 598456953 /nfs/dbraw/zinc/45/69/53/598456953.db2.gz RDAHUZBKEBGURE-LJQANCHMSA-N -1 3 375.476 3.596 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737853233 598456955 /nfs/dbraw/zinc/45/69/55/598456955.db2.gz RDAHUZBKEBGURE-LJQANCHMSA-N -1 3 375.476 3.596 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000735656535 598487543 /nfs/dbraw/zinc/48/75/43/598487543.db2.gz ZSXNKIDVVVETPU-HUUCEWRRSA-N -1 3 384.871 3.819 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000735656535 598487545 /nfs/dbraw/zinc/48/75/45/598487545.db2.gz ZSXNKIDVVVETPU-HUUCEWRRSA-N -1 3 384.871 3.819 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147101 598488252 /nfs/dbraw/zinc/48/82/52/598488252.db2.gz ANXDSOQLOCESCA-ZWLSGLHFSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147101 598488254 /nfs/dbraw/zinc/48/82/54/598488254.db2.gz ANXDSOQLOCESCA-ZWLSGLHFSA-N -1 3 377.429 3.794 20 0 GHADHM COc1ccc(CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737089612 598488278 /nfs/dbraw/zinc/48/82/78/598488278.db2.gz YRSHHMPVDJFCBG-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccc(CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737089612 598488280 /nfs/dbraw/zinc/48/82/80/598488280.db2.gz YRSHHMPVDJFCBG-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736157851 598491993 /nfs/dbraw/zinc/49/19/93/598491993.db2.gz CXNLDGPNENTMIO-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736157851 598491995 /nfs/dbraw/zinc/49/19/95/598491995.db2.gz CXNLDGPNENTMIO-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737820466 598493877 /nfs/dbraw/zinc/49/38/77/598493877.db2.gz JYDNGNLVPNXEBV-CYBMUJFWSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737820466 598493879 /nfs/dbraw/zinc/49/38/79/598493879.db2.gz JYDNGNLVPNXEBV-CYBMUJFWSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000737960387 598496513 /nfs/dbraw/zinc/49/65/13/598496513.db2.gz FTVAKFGOQZNBQY-FQEVSTJZSA-N -1 3 386.459 3.644 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000737960387 598496515 /nfs/dbraw/zinc/49/65/15/598496515.db2.gz FTVAKFGOQZNBQY-FQEVSTJZSA-N -1 3 386.459 3.644 20 0 GHADHM CCCN([C@H](CC)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736470382 598506586 /nfs/dbraw/zinc/50/65/86/598506586.db2.gz FJSNVQPHWTXUKP-LJQANCHMSA-N -1 3 399.520 3.560 20 0 GHADHM CCCN([C@H](CC)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736470382 598506588 /nfs/dbraw/zinc/50/65/88/598506588.db2.gz FJSNVQPHWTXUKP-LJQANCHMSA-N -1 3 399.520 3.560 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000737196313 598512208 /nfs/dbraw/zinc/51/22/08/598512208.db2.gz FILSLXHTYAEIFN-NNUKFRKNSA-N -1 3 397.508 3.614 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000737196313 598512209 /nfs/dbraw/zinc/51/22/09/598512209.db2.gz FILSLXHTYAEIFN-NNUKFRKNSA-N -1 3 397.508 3.614 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785846 598513602 /nfs/dbraw/zinc/51/36/02/598513602.db2.gz HGVJOHSFCLYAEE-UONOGXRCSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785846 598513603 /nfs/dbraw/zinc/51/36/03/598513603.db2.gz HGVJOHSFCLYAEE-UONOGXRCSA-N -1 3 388.258 3.593 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c1-c1nnn[n-]1 ZINC000736676947 598516084 /nfs/dbraw/zinc/51/60/84/598516084.db2.gz WTGRTKQYEMJWQZ-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c1-c1nn[n-]n1 ZINC000736676947 598516085 /nfs/dbraw/zinc/51/60/85/598516085.db2.gz WTGRTKQYEMJWQZ-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2cccc(C)c2C)c1-c1nnn[n-]1 ZINC000736669343 598516393 /nfs/dbraw/zinc/51/63/93/598516393.db2.gz FLSSEJCECAJJSF-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2cccc(C)c2C)c1-c1nn[n-]n1 ZINC000736669343 598516394 /nfs/dbraw/zinc/51/63/94/598516394.db2.gz FLSSEJCECAJJSF-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730990 598533263 /nfs/dbraw/zinc/53/32/63/598533263.db2.gz FLLNRRKRFHYDKF-ROUUACIJSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730990 598533265 /nfs/dbraw/zinc/53/32/65/598533265.db2.gz FLLNRRKRFHYDKF-ROUUACIJSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730992 598533505 /nfs/dbraw/zinc/53/35/05/598533505.db2.gz FLLNRRKRFHYDKF-ZWKOTPCHSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730992 598533506 /nfs/dbraw/zinc/53/35/06/598533506.db2.gz FLLNRRKRFHYDKF-ZWKOTPCHSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730985 598533517 /nfs/dbraw/zinc/53/35/17/598533517.db2.gz FLLNRRKRFHYDKF-MSOLQXFVSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730985 598533518 /nfs/dbraw/zinc/53/35/18/598533518.db2.gz FLLNRRKRFHYDKF-MSOLQXFVSA-N -1 3 387.418 3.926 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736328636 598537168 /nfs/dbraw/zinc/53/71/68/598537168.db2.gz XMSJIGUGNYGOHA-CYBMUJFWSA-N -1 3 382.493 3.531 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736328636 598537170 /nfs/dbraw/zinc/53/71/70/598537170.db2.gz XMSJIGUGNYGOHA-CYBMUJFWSA-N -1 3 382.493 3.531 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=S)NC(C)(C)C ZINC000737279838 598538219 /nfs/dbraw/zinc/53/82/19/598538219.db2.gz NWTMSWOVPCMCBX-UHFFFAOYSA-N -1 3 396.520 3.839 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=S)NC(C)(C)C ZINC000737279838 598538221 /nfs/dbraw/zinc/53/82/21/598538221.db2.gz NWTMSWOVPCMCBX-UHFFFAOYSA-N -1 3 396.520 3.839 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736252992 598538340 /nfs/dbraw/zinc/53/83/40/598538340.db2.gz SKBKLTJDUUQQBI-GOEBONIOSA-N -1 3 395.463 3.689 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736401485 598540785 /nfs/dbraw/zinc/54/07/85/598540785.db2.gz XTNLBMQOMKJDQZ-RDTXWAMCSA-N -1 3 395.463 3.737 20 0 GHADHM CCCCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736440208 598543577 /nfs/dbraw/zinc/54/35/77/598543577.db2.gz AZVJEVWNUQJMNB-SFHVURJKSA-N -1 3 379.464 3.683 20 0 GHADHM CCCCC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736440208 598543578 /nfs/dbraw/zinc/54/35/78/598543578.db2.gz AZVJEVWNUQJMNB-SFHVURJKSA-N -1 3 379.464 3.683 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737328620 598543868 /nfs/dbraw/zinc/54/38/68/598543868.db2.gz GEEYVDYKCGVBAN-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737328620 598543870 /nfs/dbraw/zinc/54/38/70/598543870.db2.gz GEEYVDYKCGVBAN-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc(CCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737338150 598545492 /nfs/dbraw/zinc/54/54/92/598545492.db2.gz NZKBUIQRZKJXHI-UHFFFAOYSA-N -1 3 387.390 3.738 20 0 GHADHM Cc1ccc(CCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737338150 598545493 /nfs/dbraw/zinc/54/54/93/598545493.db2.gz NZKBUIQRZKJXHI-UHFFFAOYSA-N -1 3 387.390 3.738 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2c(s1)CCCC2 ZINC000738147450 598547661 /nfs/dbraw/zinc/54/76/61/598547661.db2.gz WOUJDBXWNPZOJW-UHFFFAOYSA-N -1 3 391.403 3.661 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2c(s1)CCCC2 ZINC000738147450 598547663 /nfs/dbraw/zinc/54/76/63/598547663.db2.gz WOUJDBXWNPZOJW-UHFFFAOYSA-N -1 3 391.403 3.661 20 0 GHADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc2ccccc21 ZINC000736505616 598549827 /nfs/dbraw/zinc/54/98/27/598549827.db2.gz PCGAXZBWTVIYEU-UHFFFAOYSA-N -1 3 391.406 3.591 20 0 GHADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc2ccccc21 ZINC000736505616 598549828 /nfs/dbraw/zinc/54/98/28/598549828.db2.gz PCGAXZBWTVIYEU-UHFFFAOYSA-N -1 3 391.406 3.591 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000738254396 598550826 /nfs/dbraw/zinc/55/08/26/598550826.db2.gz LWYGRRMKGQJQMN-MRXNPFEDSA-N -1 3 387.365 3.863 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000738254396 598550828 /nfs/dbraw/zinc/55/08/28/598550828.db2.gz LWYGRRMKGQJQMN-MRXNPFEDSA-N -1 3 387.365 3.863 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1ccccc1F ZINC000736278933 598551588 /nfs/dbraw/zinc/55/15/88/598551588.db2.gz IDWPJBHBHOTRFS-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1ccccc1F ZINC000736278933 598551589 /nfs/dbraw/zinc/55/15/89/598551589.db2.gz IDWPJBHBHOTRFS-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccnc(Cl)c1 ZINC000738173396 598556078 /nfs/dbraw/zinc/55/60/78/598556078.db2.gz PZRKIRHGJQVBER-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccnc(Cl)c1 ZINC000738173396 598556080 /nfs/dbraw/zinc/55/60/80/598556080.db2.gz PZRKIRHGJQVBER-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(OCc1cccc(F)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738231529 598558246 /nfs/dbraw/zinc/55/82/46/598558246.db2.gz BDFNAKLLSQHICN-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736365477 598558639 /nfs/dbraw/zinc/55/86/39/598558639.db2.gz WFFONMKSQOAADE-ZDUSSCGKSA-N -1 3 388.378 3.741 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736365477 598558640 /nfs/dbraw/zinc/55/86/40/598558640.db2.gz WFFONMKSQOAADE-ZDUSSCGKSA-N -1 3 388.378 3.741 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC[C@@H]1C[C@@H]1C ZINC000737280286 598559138 /nfs/dbraw/zinc/55/91/38/598559138.db2.gz PGBAEWAVWSUNKU-GUYCJALGSA-N -1 3 392.463 3.532 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC[C@@H]1C[C@@H]1C ZINC000737280286 598559140 /nfs/dbraw/zinc/55/91/40/598559140.db2.gz PGBAEWAVWSUNKU-GUYCJALGSA-N -1 3 392.463 3.532 20 0 GHADHM Brc1cccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000735369802 598567433 /nfs/dbraw/zinc/56/74/33/598567433.db2.gz WYKRPEAWBSVLDK-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Brc1cccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000735369802 598567435 /nfs/dbraw/zinc/56/74/35/598567435.db2.gz WYKRPEAWBSVLDK-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000738166652 598590018 /nfs/dbraw/zinc/59/00/18/598590018.db2.gz LAQCYVJJIZEPMI-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000738166652 598590020 /nfs/dbraw/zinc/59/00/20/598590020.db2.gz LAQCYVJJIZEPMI-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000738168296 598591694 /nfs/dbraw/zinc/59/16/94/598591694.db2.gz YKGZIQXORWEWMI-UHFFFAOYSA-N -1 3 393.403 3.879 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000738168296 598591695 /nfs/dbraw/zinc/59/16/95/598591695.db2.gz YKGZIQXORWEWMI-UHFFFAOYSA-N -1 3 393.403 3.879 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736177770 598592259 /nfs/dbraw/zinc/59/22/59/598592259.db2.gz UVHOVGRHMKBMTO-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736177770 598592261 /nfs/dbraw/zinc/59/22/61/598592261.db2.gz UVHOVGRHMKBMTO-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM Brc1cccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000735369019 598607737 /nfs/dbraw/zinc/60/77/37/598607737.db2.gz RKNWWXNKBPEXMD-CMDGGOBGSA-N -1 3 395.220 3.850 20 0 GHADHM Brc1cccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000735369019 598607738 /nfs/dbraw/zinc/60/77/38/598607738.db2.gz RKNWWXNKBPEXMD-CMDGGOBGSA-N -1 3 395.220 3.850 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000736169484 598612366 /nfs/dbraw/zinc/61/23/66/598612366.db2.gz NVRNSPVKJLNSFC-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM O=C(COc1ccc(NC2CCCCC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737918930 598616980 /nfs/dbraw/zinc/61/69/80/598616980.db2.gz CPTGVVAQRVCAOE-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM O=C(COc1ccc(NC2CCCCC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737918930 598616981 /nfs/dbraw/zinc/61/69/81/598616981.db2.gz CPTGVVAQRVCAOE-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000737571183 598630347 /nfs/dbraw/zinc/63/03/47/598630347.db2.gz VLWWLOXQPUQJNX-OAHLLOKOSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000737571183 598630349 /nfs/dbraw/zinc/63/03/49/598630349.db2.gz VLWWLOXQPUQJNX-OAHLLOKOSA-N -1 3 383.839 3.633 20 0 GHADHM O=C(NCC1CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000738046751 598634785 /nfs/dbraw/zinc/63/47/85/598634785.db2.gz XQLMWKZWHDHACE-UHFFFAOYSA-N -1 3 396.426 3.506 20 0 GHADHM O=C(NCC1CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000738046751 598634787 /nfs/dbraw/zinc/63/47/87/598634787.db2.gz XQLMWKZWHDHACE-UHFFFAOYSA-N -1 3 396.426 3.506 20 0 GHADHM Fc1ccc(CSc2nnc(NCc3ccccc3)s2)c(-c2nnn[n-]2)c1 ZINC000737648152 598643259 /nfs/dbraw/zinc/64/32/59/598643259.db2.gz GJEPNAQNNQFLIW-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(CSc2nnc(NCc3ccccc3)s2)c(-c2nn[n-]n2)c1 ZINC000737648152 598643260 /nfs/dbraw/zinc/64/32/60/598643260.db2.gz GJEPNAQNNQFLIW-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM O=C(Nc1nc2ccccc2[nH]1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738212508 598646528 /nfs/dbraw/zinc/64/65/28/598646528.db2.gz QUCYQQYAVQOCOM-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc2cccnc21 ZINC000737832255 598647507 /nfs/dbraw/zinc/64/75/07/598647507.db2.gz HQJNOOHYUFYJGN-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc2cccnc21 ZINC000737832255 598647509 /nfs/dbraw/zinc/64/75/09/598647509.db2.gz HQJNOOHYUFYJGN-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736197675 598648152 /nfs/dbraw/zinc/64/81/52/598648152.db2.gz CGNSLVROIWEEOS-HNNXBMFYSA-N -1 3 397.454 3.775 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736197675 598648155 /nfs/dbraw/zinc/64/81/55/598648155.db2.gz CGNSLVROIWEEOS-HNNXBMFYSA-N -1 3 397.454 3.775 20 0 GHADHM CCc1ccc2nc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000736697458 598648372 /nfs/dbraw/zinc/64/83/72/598648372.db2.gz FRSUNNAXXPAJMU-UHFFFAOYSA-N -1 3 396.501 3.770 20 0 GHADHM CCc1ccc2nc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000736697458 598648374 /nfs/dbraw/zinc/64/83/74/598648374.db2.gz FRSUNNAXXPAJMU-UHFFFAOYSA-N -1 3 396.501 3.770 20 0 GHADHM Cc1nc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)sc1C ZINC000737483019 598648960 /nfs/dbraw/zinc/64/89/60/598648960.db2.gz RNPMVCZZRXTKCH-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CN(Cc1cccs1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736829263 598648969 /nfs/dbraw/zinc/64/89/69/598648969.db2.gz ZJXFSICIQQEKBR-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM CN(Cc1cccs1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736829263 598648970 /nfs/dbraw/zinc/64/89/70/598648970.db2.gz ZJXFSICIQQEKBR-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM Clc1cc(NCc2cc(Cl)c3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737565010 598650205 /nfs/dbraw/zinc/65/02/05/598650205.db2.gz MCQTZRNFRSEOJU-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM Clc1cc(NCc2cc(Cl)c3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737565010 598650206 /nfs/dbraw/zinc/65/02/06/598650206.db2.gz MCQTZRNFRSEOJU-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)c2cccnc12 ZINC000737941780 598650676 /nfs/dbraw/zinc/65/06/76/598650676.db2.gz REVAHRBIUVDGJL-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c2cccnc12 ZINC000737941780 598650677 /nfs/dbraw/zinc/65/06/77/598650677.db2.gz REVAHRBIUVDGJL-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000735832358 598651644 /nfs/dbraw/zinc/65/16/44/598651644.db2.gz ZTKFVOZLRLEQKY-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000735832358 598651646 /nfs/dbraw/zinc/65/16/46/598651646.db2.gz ZTKFVOZLRLEQKY-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736249152 598651856 /nfs/dbraw/zinc/65/18/56/598651856.db2.gz FFKQSWGXRAHLMA-RHSMWYFYSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249152 598651857 /nfs/dbraw/zinc/65/18/57/598651857.db2.gz FFKQSWGXRAHLMA-RHSMWYFYSA-N -1 3 377.448 3.968 20 0 GHADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737322137 598652423 /nfs/dbraw/zinc/65/24/23/598652423.db2.gz IJBAHMTZHBLIIL-OAHLLOKOSA-N -1 3 381.505 3.795 20 0 GHADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322137 598652424 /nfs/dbraw/zinc/65/24/24/598652424.db2.gz IJBAHMTZHBLIIL-OAHLLOKOSA-N -1 3 381.505 3.795 20 0 GHADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736355560 598656157 /nfs/dbraw/zinc/65/61/57/598656157.db2.gz JLCBOLBXIMZXMV-LJQANCHMSA-N -1 3 385.512 3.891 20 0 GHADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736355560 598656159 /nfs/dbraw/zinc/65/61/59/598656159.db2.gz JLCBOLBXIMZXMV-LJQANCHMSA-N -1 3 385.512 3.891 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737058343 598657351 /nfs/dbraw/zinc/65/73/51/598657351.db2.gz KSLYHVQZSHSQDZ-CYBMUJFWSA-N -1 3 391.353 3.550 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737058343 598657352 /nfs/dbraw/zinc/65/73/52/598657352.db2.gz KSLYHVQZSHSQDZ-CYBMUJFWSA-N -1 3 391.353 3.550 20 0 GHADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737837262 598659178 /nfs/dbraw/zinc/65/91/78/598659178.db2.gz VNJYKUZKCWYDGE-UHFFFAOYSA-N -1 3 396.454 3.794 20 0 GHADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737837262 598659180 /nfs/dbraw/zinc/65/91/80/598659180.db2.gz VNJYKUZKCWYDGE-UHFFFAOYSA-N -1 3 396.454 3.794 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000737941832 598659270 /nfs/dbraw/zinc/65/92/70/598659270.db2.gz DZLXTVYUWOQQSF-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000737941832 598659273 /nfs/dbraw/zinc/65/92/73/598659273.db2.gz DZLXTVYUWOQQSF-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736401649 598664344 /nfs/dbraw/zinc/66/43/44/598664344.db2.gz KNZBRHHSVVAMPD-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736401649 598664347 /nfs/dbraw/zinc/66/43/47/598664347.db2.gz KNZBRHHSVVAMPD-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737396270 598671082 /nfs/dbraw/zinc/67/10/82/598671082.db2.gz FASJFKYAZIBVSE-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737396270 598671084 /nfs/dbraw/zinc/67/10/84/598671084.db2.gz FASJFKYAZIBVSE-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736795006 598683532 /nfs/dbraw/zinc/68/35/32/598683532.db2.gz UXZMRPLWSVLMGA-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736795006 598683533 /nfs/dbraw/zinc/68/35/33/598683533.db2.gz UXZMRPLWSVLMGA-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM O=C(COc1ccc(NC2CCCCC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737918968 598700509 /nfs/dbraw/zinc/70/05/09/598700509.db2.gz DOAMYXKCQLEFPF-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM O=C(COc1ccc(NC2CCCCC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737918968 598700511 /nfs/dbraw/zinc/70/05/11/598700511.db2.gz DOAMYXKCQLEFPF-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737591409 598707937 /nfs/dbraw/zinc/70/79/37/598707937.db2.gz KKEXYSZAMDCSIS-UHFFFAOYSA-N -1 3 385.786 3.508 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737591409 598707939 /nfs/dbraw/zinc/70/79/39/598707939.db2.gz KKEXYSZAMDCSIS-UHFFFAOYSA-N -1 3 385.786 3.508 20 0 GHADHM Fc1cccc(-c2nc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)co2)c1 ZINC000737666460 598723411 /nfs/dbraw/zinc/72/34/11/598723411.db2.gz LJQPQQKUYLYVBH-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM Fc1cccc(-c2nc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)co2)c1 ZINC000737666460 598723413 /nfs/dbraw/zinc/72/34/13/598723413.db2.gz LJQPQQKUYLYVBH-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM C[C@H](OC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159586 598735087 /nfs/dbraw/zinc/73/50/87/598735087.db2.gz XCUYKLKEWNIYER-VIFPVBQESA-N -1 3 384.346 3.599 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501201 598741834 /nfs/dbraw/zinc/74/18/34/598741834.db2.gz ALDYYZOOAJJOTR-IAGOWNOFSA-N -1 3 389.503 3.971 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501201 598741835 /nfs/dbraw/zinc/74/18/35/598741835.db2.gz ALDYYZOOAJJOTR-IAGOWNOFSA-N -1 3 389.503 3.971 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737794712 598753931 /nfs/dbraw/zinc/75/39/31/598753931.db2.gz GUNCXYRNRVMLCA-YHYXMXQVSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737794712 598753933 /nfs/dbraw/zinc/75/39/33/598753933.db2.gz GUNCXYRNRVMLCA-YHYXMXQVSA-N -1 3 391.431 3.580 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000735975908 598765786 /nfs/dbraw/zinc/76/57/86/598765786.db2.gz QQORXJWLSXGKNP-MRXNPFEDSA-N -1 3 391.475 3.513 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000735975908 598765788 /nfs/dbraw/zinc/76/57/88/598765788.db2.gz QQORXJWLSXGKNP-MRXNPFEDSA-N -1 3 391.475 3.513 20 0 GHADHM CCOCc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000736627933 598770042 /nfs/dbraw/zinc/77/00/42/598770042.db2.gz XGSBUSQJSAHACI-UHFFFAOYSA-N -1 3 396.401 3.842 20 0 GHADHM CCOCc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000736627933 598770044 /nfs/dbraw/zinc/77/00/44/598770044.db2.gz XGSBUSQJSAHACI-UHFFFAOYSA-N -1 3 396.401 3.842 20 0 GHADHM CC(C)N(Cc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735876169 598781453 /nfs/dbraw/zinc/78/14/53/598781453.db2.gz WDDFHEIJHSOJRO-UHFFFAOYSA-N -1 3 392.366 3.504 20 0 GHADHM CC(C)N(Cc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735876169 598781454 /nfs/dbraw/zinc/78/14/54/598781454.db2.gz WDDFHEIJHSOJRO-UHFFFAOYSA-N -1 3 392.366 3.504 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(C)s1)C(C)C ZINC000737056336 598781706 /nfs/dbraw/zinc/78/17/06/598781706.db2.gz CTMWJPQFUBQAPU-UHFFFAOYSA-N -1 3 386.481 3.688 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(C)s1)C(C)C ZINC000737056336 598781707 /nfs/dbraw/zinc/78/17/07/598781707.db2.gz CTMWJPQFUBQAPU-UHFFFAOYSA-N -1 3 386.481 3.688 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737857520 598789322 /nfs/dbraw/zinc/78/93/22/598789322.db2.gz SIBWLMPMEDXIQO-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737857520 598789323 /nfs/dbraw/zinc/78/93/23/598789323.db2.gz SIBWLMPMEDXIQO-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM COc1ccc(C2(CNc3ccc(Cl)cc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737075027 598794086 /nfs/dbraw/zinc/79/40/86/598794086.db2.gz BNTCAWSXLCSLOT-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM COc1ccc(C2(CNc3ccc(Cl)cc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737075027 598794087 /nfs/dbraw/zinc/79/40/87/598794087.db2.gz BNTCAWSXLCSLOT-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737216841 598796268 /nfs/dbraw/zinc/79/62/68/598796268.db2.gz ZNUJRCIYNVDEOZ-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737216841 598796270 /nfs/dbraw/zinc/79/62/70/598796270.db2.gz ZNUJRCIYNVDEOZ-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC/C=C\c1ccccc1 ZINC000735874983 598801340 /nfs/dbraw/zinc/80/13/40/598801340.db2.gz OICGLJKFJLZPPE-TWGQIWQCSA-N -1 3 376.464 3.500 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC/C=C\c1ccccc1 ZINC000735874983 598801341 /nfs/dbraw/zinc/80/13/41/598801341.db2.gz OICGLJKFJLZPPE-TWGQIWQCSA-N -1 3 376.464 3.500 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](CC)OC1CCCC1 ZINC000736628650 598802999 /nfs/dbraw/zinc/80/29/99/598802999.db2.gz SISBXMJGDXHPRZ-AWEZNQCLSA-N -1 3 394.859 3.562 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](CC)OC1CCCC1 ZINC000736628650 598803001 /nfs/dbraw/zinc/80/30/01/598803001.db2.gz SISBXMJGDXHPRZ-AWEZNQCLSA-N -1 3 394.859 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000524058584 598806626 /nfs/dbraw/zinc/80/66/26/598806626.db2.gz QHUGVDHQMCBLIB-NRFANRHFSA-N -1 3 396.454 3.609 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000524058584 598806627 /nfs/dbraw/zinc/80/66/27/598806627.db2.gz QHUGVDHQMCBLIB-NRFANRHFSA-N -1 3 396.454 3.609 20 0 GHADHM C[C@H]1SCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@@H]1C ZINC000736305579 599301434 /nfs/dbraw/zinc/30/14/34/599301434.db2.gz XSVDVSCNKKXINH-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1SCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000736305579 599301435 /nfs/dbraw/zinc/30/14/35/599301435.db2.gz XSVDVSCNKKXINH-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733549 599306923 /nfs/dbraw/zinc/30/69/23/599306923.db2.gz UHKAEHRSVRUNFD-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733549 599306925 /nfs/dbraw/zinc/30/69/25/599306925.db2.gz UHKAEHRSVRUNFD-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCCS1 ZINC000822211832 599316175 /nfs/dbraw/zinc/31/61/75/599316175.db2.gz PWEFPCASOKOCLP-KRWDZBQOSA-N -1 3 381.461 3.802 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1CCCS1 ZINC000822211832 599316177 /nfs/dbraw/zinc/31/61/77/599316177.db2.gz PWEFPCASOKOCLP-KRWDZBQOSA-N -1 3 381.461 3.802 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691743 599318399 /nfs/dbraw/zinc/31/83/99/599318399.db2.gz ZAXBRIFCGZGFOD-PBHICJAKSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691743 599318402 /nfs/dbraw/zinc/31/84/02/599318402.db2.gz ZAXBRIFCGZGFOD-PBHICJAKSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H](SCC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189570 599327619 /nfs/dbraw/zinc/32/76/19/599327619.db2.gz PUUNOOZGGFMVSF-HUUCEWRRSA-N -1 3 381.505 3.881 20 0 GHADHM C[C@@H](SCC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189570 599327620 /nfs/dbraw/zinc/32/76/20/599327620.db2.gz PUUNOOZGGFMVSF-HUUCEWRRSA-N -1 3 381.505 3.881 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737102052 599331403 /nfs/dbraw/zinc/33/14/03/599331403.db2.gz LRJSPPZCRCRDRZ-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737102052 599331406 /nfs/dbraw/zinc/33/14/06/599331406.db2.gz LRJSPPZCRCRDRZ-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000820032673 599346040 /nfs/dbraw/zinc/34/60/40/599346040.db2.gz PLQZYLDBTVJTAV-IBGZPJMESA-N -1 3 393.516 3.568 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000820032673 599346042 /nfs/dbraw/zinc/34/60/42/599346042.db2.gz PLQZYLDBTVJTAV-IBGZPJMESA-N -1 3 393.516 3.568 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820031694 599346598 /nfs/dbraw/zinc/34/65/98/599346598.db2.gz HNTMTLXIZHEFKA-KUHUBIRLSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820031694 599346600 /nfs/dbraw/zinc/34/66/00/599346600.db2.gz HNTMTLXIZHEFKA-KUHUBIRLSA-N -1 3 393.516 3.961 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821000933 599349796 /nfs/dbraw/zinc/34/97/96/599349796.db2.gz MDKRFJONLNAOHV-CQSZACIVSA-N -1 3 385.518 3.556 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821000933 599349799 /nfs/dbraw/zinc/34/97/99/599349799.db2.gz MDKRFJONLNAOHV-CQSZACIVSA-N -1 3 385.518 3.556 20 0 GHADHM COc1cc(-c2nc(CSc3ccccc3-c3nnn[n-]3)cs2)ccc1O ZINC000821698817 599353188 /nfs/dbraw/zinc/35/31/88/599353188.db2.gz ZYDBEZPIIMSOGX-UHFFFAOYSA-N -1 3 397.485 3.997 20 0 GHADHM COc1cc(-c2nc(CSc3ccccc3-c3nn[n-]n3)cs2)ccc1O ZINC000821698817 599353190 /nfs/dbraw/zinc/35/31/90/599353190.db2.gz ZYDBEZPIIMSOGX-UHFFFAOYSA-N -1 3 397.485 3.997 20 0 GHADHM C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820461238 599354649 /nfs/dbraw/zinc/35/46/49/599354649.db2.gz GGZOJJYRWWPYJY-LLVKDONJSA-N -1 3 377.477 3.923 20 0 GHADHM C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820461238 599354652 /nfs/dbraw/zinc/35/46/52/599354652.db2.gz GGZOJJYRWWPYJY-LLVKDONJSA-N -1 3 377.477 3.923 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820777547 599369817 /nfs/dbraw/zinc/36/98/17/599369817.db2.gz SARWRDDLNMLFHH-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820777547 599369821 /nfs/dbraw/zinc/36/98/21/599369821.db2.gz SARWRDDLNMLFHH-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM CSCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000737180244 599372105 /nfs/dbraw/zinc/37/21/05/599372105.db2.gz DBPDQCQMMXVBEX-UHFFFAOYSA-N -1 3 385.518 3.776 20 0 GHADHM CSCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000737180244 599372107 /nfs/dbraw/zinc/37/21/07/599372107.db2.gz DBPDQCQMMXVBEX-UHFFFAOYSA-N -1 3 385.518 3.776 20 0 GHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCOCC1 ZINC000822209533 599378738 /nfs/dbraw/zinc/37/87/38/599378738.db2.gz MTEZULOZSBBGFN-HNNXBMFYSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCOCC1 ZINC000822209533 599378741 /nfs/dbraw/zinc/37/87/41/599378741.db2.gz MTEZULOZSBBGFN-HNNXBMFYSA-N -1 3 379.464 3.906 20 0 GHADHM CCSCc1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461170 599380925 /nfs/dbraw/zinc/38/09/25/599380925.db2.gz LDGUDUFLAFULRG-CYBMUJFWSA-N -1 3 382.493 3.559 20 0 GHADHM CCSCc1cccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461170 599380927 /nfs/dbraw/zinc/38/09/27/599380927.db2.gz LDGUDUFLAFULRG-CYBMUJFWSA-N -1 3 382.493 3.559 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2F)c1)c1cccs1 ZINC000823367695 599387821 /nfs/dbraw/zinc/38/78/21/599387821.db2.gz NPHZNVFQCKFDQU-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2F)c1)c1cccs1 ZINC000823367695 599387823 /nfs/dbraw/zinc/38/78/23/599387823.db2.gz NPHZNVFQCKFDQU-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM COc1ccc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737090189 599404825 /nfs/dbraw/zinc/40/48/25/599404825.db2.gz CQYHLESFRDYNLA-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1ccc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737090189 599404826 /nfs/dbraw/zinc/40/48/26/599404826.db2.gz CQYHLESFRDYNLA-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM Fc1cc(Br)cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737643169 599414992 /nfs/dbraw/zinc/41/49/92/599414992.db2.gz CDUZEUGKXSJXCQ-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Fc1cc(Br)cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737643169 599414993 /nfs/dbraw/zinc/41/49/93/599414993.db2.gz CDUZEUGKXSJXCQ-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Cc1ccc(-c2noc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000822224061 607375519 /nfs/dbraw/zinc/37/55/19/607375519.db2.gz UVWHEWWTTWPATM-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccc(-c2noc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000822224061 607375521 /nfs/dbraw/zinc/37/55/21/607375521.db2.gz UVWHEWWTTWPATM-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664431 599417828 /nfs/dbraw/zinc/41/78/28/599417828.db2.gz AAWPFZTZJQSANT-NXOUGTEYSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664431 599417832 /nfs/dbraw/zinc/41/78/32/599417832.db2.gz AAWPFZTZJQSANT-NXOUGTEYSA-N -1 3 396.882 3.717 20 0 GHADHM Brc1ccsc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735374957 599419537 /nfs/dbraw/zinc/41/95/37/599419537.db2.gz GYGJCYXLWPLZFM-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccsc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735374957 599419540 /nfs/dbraw/zinc/41/95/40/599419540.db2.gz GYGJCYXLWPLZFM-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM COc1cc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1SC ZINC000737046048 599420096 /nfs/dbraw/zinc/42/00/96/599420096.db2.gz ZLYZDBZUJMTUPA-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM COc1cc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1SC ZINC000737046048 599420097 /nfs/dbraw/zinc/42/00/97/599420097.db2.gz ZLYZDBZUJMTUPA-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822020762 599423222 /nfs/dbraw/zinc/42/32/22/599423222.db2.gz IJUKRNUVOOXMLB-GFCCVEGCSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822020762 599423225 /nfs/dbraw/zinc/42/32/25/599423225.db2.gz IJUKRNUVOOXMLB-GFCCVEGCSA-N -1 3 394.410 3.621 20 0 GHADHM C[C@@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000824052351 607377753 /nfs/dbraw/zinc/37/77/53/607377753.db2.gz NOFXECUOGZODNA-CQSZACIVSA-N -1 3 386.411 3.550 20 0 GHADHM C[C@@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824052351 607377755 /nfs/dbraw/zinc/37/77/55/607377755.db2.gz NOFXECUOGZODNA-CQSZACIVSA-N -1 3 386.411 3.550 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000820353023 599440973 /nfs/dbraw/zinc/44/09/73/599440973.db2.gz XEEZDLRVWQOXIN-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000820353023 599440974 /nfs/dbraw/zinc/44/09/74/599440974.db2.gz XEEZDLRVWQOXIN-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736109896 599452697 /nfs/dbraw/zinc/45/26/97/599452697.db2.gz BUGZXEZRYLZFFQ-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736109896 599452701 /nfs/dbraw/zinc/45/27/01/599452701.db2.gz BUGZXEZRYLZFFQ-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821614544 599461968 /nfs/dbraw/zinc/46/19/68/599461968.db2.gz KITYUAYYLSLZCP-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821614544 599461971 /nfs/dbraw/zinc/46/19/71/599461971.db2.gz KITYUAYYLSLZCP-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CCc1ccc([C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C(C)C)cc1 ZINC000821480190 599463850 /nfs/dbraw/zinc/46/38/50/599463850.db2.gz AARQCBYKLXMXDT-IBGZPJMESA-N -1 3 396.470 3.765 20 0 GHADHM CCc1ccc([C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C(C)C)cc1 ZINC000821480190 599463852 /nfs/dbraw/zinc/46/38/52/599463852.db2.gz AARQCBYKLXMXDT-IBGZPJMESA-N -1 3 396.470 3.765 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231658 599468767 /nfs/dbraw/zinc/46/87/67/599468767.db2.gz BWYIYUPXKJYGRD-XJKSGUPXSA-N -1 3 397.479 3.503 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231658 599468770 /nfs/dbraw/zinc/46/87/70/599468770.db2.gz BWYIYUPXKJYGRD-XJKSGUPXSA-N -1 3 397.479 3.503 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737932504 599469304 /nfs/dbraw/zinc/46/93/04/599469304.db2.gz NDGNHJXJBXGNAQ-KRWDZBQOSA-N -1 3 397.504 3.837 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000737932504 599469307 /nfs/dbraw/zinc/46/93/07/599469307.db2.gz NDGNHJXJBXGNAQ-KRWDZBQOSA-N -1 3 397.504 3.837 20 0 GHADHM O=C(Nc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000823364100 599472341 /nfs/dbraw/zinc/47/23/41/599472341.db2.gz ZMOMCOQPTJCNQK-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM O=C(Nc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000823364100 599472344 /nfs/dbraw/zinc/47/23/44/599472344.db2.gz ZMOMCOQPTJCNQK-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352118 599479058 /nfs/dbraw/zinc/47/90/58/599479058.db2.gz SFEKMACZRLPUTE-FZKQIMNGSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352118 599479060 /nfs/dbraw/zinc/47/90/60/599479060.db2.gz SFEKMACZRLPUTE-FZKQIMNGSA-N -1 3 380.427 3.614 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820920374 599479589 /nfs/dbraw/zinc/47/95/89/599479589.db2.gz PJKXONLCXCTVLG-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820920374 599479592 /nfs/dbraw/zinc/47/95/92/599479592.db2.gz PJKXONLCXCTVLG-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299242 599486291 /nfs/dbraw/zinc/48/62/91/599486291.db2.gz CFYTZSULWLYWCB-HNAYVOBHSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299242 599486293 /nfs/dbraw/zinc/48/62/93/599486293.db2.gz CFYTZSULWLYWCB-HNAYVOBHSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000737400515 599504880 /nfs/dbraw/zinc/50/48/80/599504880.db2.gz VABHSIKOKFSVRY-ZDUSSCGKSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000737400515 599504882 /nfs/dbraw/zinc/50/48/82/599504882.db2.gz VABHSIKOKFSVRY-ZDUSSCGKSA-N -1 3 396.520 3.945 20 0 GHADHM COc1ccc2sc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000821853881 599517815 /nfs/dbraw/zinc/51/78/15/599517815.db2.gz CDHKZSMXRZPNAR-GFCCVEGCSA-N -1 3 393.472 3.889 20 0 GHADHM COc1ccc2sc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000821853881 599517817 /nfs/dbraw/zinc/51/78/17/599517817.db2.gz CDHKZSMXRZPNAR-GFCCVEGCSA-N -1 3 393.472 3.889 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1C ZINC000821794773 599523288 /nfs/dbraw/zinc/52/32/88/599523288.db2.gz MYORGNMMAQBBGT-UHFFFAOYSA-N -1 3 396.401 3.647 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1C ZINC000821794773 599523291 /nfs/dbraw/zinc/52/32/91/599523291.db2.gz MYORGNMMAQBBGT-UHFFFAOYSA-N -1 3 396.401 3.647 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790679 599524082 /nfs/dbraw/zinc/52/40/82/599524082.db2.gz QVCKBWIAVUEEEH-INIZCTEOSA-N -1 3 393.491 3.856 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790679 599524083 /nfs/dbraw/zinc/52/40/83/599524083.db2.gz QVCKBWIAVUEEEH-INIZCTEOSA-N -1 3 393.491 3.856 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737420746 599529184 /nfs/dbraw/zinc/52/91/84/599529184.db2.gz HDKXBWXYARKWLW-CHWSQXEVSA-N -1 3 388.397 3.971 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737420746 599529186 /nfs/dbraw/zinc/52/91/86/599529186.db2.gz HDKXBWXYARKWLW-CHWSQXEVSA-N -1 3 388.397 3.971 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000738267826 599534322 /nfs/dbraw/zinc/53/43/22/599534322.db2.gz POWKYZQNNXWUMP-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000738267826 599534325 /nfs/dbraw/zinc/53/43/25/599534325.db2.gz POWKYZQNNXWUMP-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000822210839 599535326 /nfs/dbraw/zinc/53/53/26/599535326.db2.gz SVNWYEJBIDAMSX-HNNXBMFYSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000822210839 599535330 /nfs/dbraw/zinc/53/53/30/599535330.db2.gz SVNWYEJBIDAMSX-HNNXBMFYSA-N -1 3 379.464 3.555 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736395209 599536079 /nfs/dbraw/zinc/53/60/79/599536079.db2.gz HTQWERZMSJTBMV-OAHLLOKOSA-N -1 3 387.900 3.695 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736395209 599536082 /nfs/dbraw/zinc/53/60/82/599536082.db2.gz HTQWERZMSJTBMV-OAHLLOKOSA-N -1 3 387.900 3.695 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737327751 599558030 /nfs/dbraw/zinc/55/80/30/599558030.db2.gz AFLGGOJFSZDMBQ-HRAATJIYSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737327751 599558031 /nfs/dbraw/zinc/55/80/31/599558031.db2.gz AFLGGOJFSZDMBQ-HRAATJIYSA-N -1 3 391.475 3.554 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736401668 599564596 /nfs/dbraw/zinc/56/45/96/599564596.db2.gz KQUQBUVXLIRDMR-HNNXBMFYSA-N -1 3 376.464 3.873 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736055632 599606946 /nfs/dbraw/zinc/60/69/46/599606946.db2.gz HUTQVBKMCBMCNM-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736055632 599606948 /nfs/dbraw/zinc/60/69/48/599606948.db2.gz HUTQVBKMCBMCNM-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737148293 599609352 /nfs/dbraw/zinc/60/93/52/599609352.db2.gz QFWLPEQCJHLLIU-LBPRGKRZSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737148293 599609354 /nfs/dbraw/zinc/60/93/54/599609354.db2.gz QFWLPEQCJHLLIU-LBPRGKRZSA-N -1 3 398.854 3.550 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738165841 599612532 /nfs/dbraw/zinc/61/25/32/599612532.db2.gz FGRUFYKZVWDMSU-RDTXWAMCSA-N -1 3 380.427 3.539 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738165841 599612534 /nfs/dbraw/zinc/61/25/34/599612534.db2.gz FGRUFYKZVWDMSU-RDTXWAMCSA-N -1 3 380.427 3.539 20 0 GHADHM Cc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)ccc1NC(=O)CC(C)C ZINC000822182881 599621508 /nfs/dbraw/zinc/62/15/08/599621508.db2.gz BYRHIUVFOXFQNX-UHFFFAOYSA-N -1 3 393.447 3.517 20 0 GHADHM Cc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)ccc1NC(=O)CC(C)C ZINC000822182881 599621509 /nfs/dbraw/zinc/62/15/09/599621509.db2.gz BYRHIUVFOXFQNX-UHFFFAOYSA-N -1 3 393.447 3.517 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000822419244 599623883 /nfs/dbraw/zinc/62/38/83/599623883.db2.gz NTCKIVJILMFXJY-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000822419244 599623884 /nfs/dbraw/zinc/62/38/84/599623884.db2.gz NTCKIVJILMFXJY-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(OC2CCC2)cc1 ZINC000823387776 599629038 /nfs/dbraw/zinc/62/90/38/599629038.db2.gz XLRSHKMVIZIUPX-UHFFFAOYSA-N -1 3 381.461 3.601 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(OC2CCC2)cc1 ZINC000823387776 599629039 /nfs/dbraw/zinc/62/90/39/599629039.db2.gz XLRSHKMVIZIUPX-UHFFFAOYSA-N -1 3 381.461 3.601 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820690234 599630114 /nfs/dbraw/zinc/63/01/14/599630114.db2.gz HUIQXZDXWXXSNR-OCCSQVGLSA-N -1 3 383.477 3.881 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820690234 599630115 /nfs/dbraw/zinc/63/01/15/599630115.db2.gz HUIQXZDXWXXSNR-OCCSQVGLSA-N -1 3 383.477 3.881 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820691425 599630300 /nfs/dbraw/zinc/63/03/00/599630300.db2.gz XEKABGZWWWTMFN-OLZOCXBDSA-N -1 3 389.525 3.873 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820691425 599630301 /nfs/dbraw/zinc/63/03/01/599630301.db2.gz XEKABGZWWWTMFN-OLZOCXBDSA-N -1 3 389.525 3.873 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000821133990 599630478 /nfs/dbraw/zinc/63/04/78/599630478.db2.gz KCQVKEKVYUSXAK-UHFFFAOYSA-N -1 3 396.495 3.783 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000821133990 599630479 /nfs/dbraw/zinc/63/04/79/599630479.db2.gz KCQVKEKVYUSXAK-UHFFFAOYSA-N -1 3 396.495 3.783 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc2S1 ZINC000823303586 599633541 /nfs/dbraw/zinc/63/35/41/599633541.db2.gz NQKNGKUEYLCLDQ-AWEZNQCLSA-N -1 3 391.378 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc2S1 ZINC000823303586 599633542 /nfs/dbraw/zinc/63/35/42/599633542.db2.gz NQKNGKUEYLCLDQ-AWEZNQCLSA-N -1 3 391.378 3.541 20 0 GHADHM c1ccc([C@H](NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CCC2)cc1 ZINC000823772014 599638273 /nfs/dbraw/zinc/63/82/73/599638273.db2.gz HJKDNHZBSPBITP-IBGZPJMESA-N -1 3 387.447 3.548 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccncc1Cl ZINC000823444101 599648446 /nfs/dbraw/zinc/64/84/46/599648446.db2.gz IYSICXJCUPNEAB-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccncc1Cl ZINC000823444101 599648447 /nfs/dbraw/zinc/64/84/47/599648447.db2.gz IYSICXJCUPNEAB-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM CCC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820832904 599651023 /nfs/dbraw/zinc/65/10/23/599651023.db2.gz PGSQXWVIIJMHSH-ZRDIBKRKSA-N -1 3 385.830 3.769 20 0 GHADHM CCC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820832904 599651024 /nfs/dbraw/zinc/65/10/24/599651024.db2.gz PGSQXWVIIJMHSH-ZRDIBKRKSA-N -1 3 385.830 3.769 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)cc2cccnc21 ZINC000823426631 599661864 /nfs/dbraw/zinc/66/18/64/599661864.db2.gz MKRNICHILCTCGO-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)cc2cccnc21 ZINC000823426631 599661865 /nfs/dbraw/zinc/66/18/65/599661865.db2.gz MKRNICHILCTCGO-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CCCCC[C@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821050570 599668170 /nfs/dbraw/zinc/66/81/70/599668170.db2.gz RWSYHFRVGFENCD-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821050570 599668171 /nfs/dbraw/zinc/66/81/71/599668171.db2.gz RWSYHFRVGFENCD-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@H](C)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821050976 599668173 /nfs/dbraw/zinc/66/81/73/599668173.db2.gz WEFALZFUFYIKQS-LBPRGKRZSA-N -1 3 393.875 3.608 20 0 GHADHM CCCCC[C@H](C)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821050976 599668174 /nfs/dbraw/zinc/66/81/74/599668174.db2.gz WEFALZFUFYIKQS-LBPRGKRZSA-N -1 3 393.875 3.608 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000819898867 599668809 /nfs/dbraw/zinc/66/88/09/599668809.db2.gz JLCLJWZCPJCAPF-KRWDZBQOSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000819898867 599668810 /nfs/dbraw/zinc/66/88/10/599668810.db2.gz JLCLJWZCPJCAPF-KRWDZBQOSA-N -1 3 382.443 3.592 20 0 GHADHM CCC(CC)[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000820893992 599669003 /nfs/dbraw/zinc/66/90/03/599669003.db2.gz ZPIZDIABDWEMEA-IBGZPJMESA-N -1 3 396.470 3.983 20 0 GHADHM CCC(CC)[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000820893992 599669004 /nfs/dbraw/zinc/66/90/04/599669004.db2.gz ZPIZDIABDWEMEA-IBGZPJMESA-N -1 3 396.470 3.983 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233999 599674264 /nfs/dbraw/zinc/67/42/64/599674264.db2.gz ZLCSJKAYOKHETN-LJQANCHMSA-N -1 3 394.454 3.751 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233999 599674265 /nfs/dbraw/zinc/67/42/65/599674265.db2.gz ZLCSJKAYOKHETN-LJQANCHMSA-N -1 3 394.454 3.751 20 0 GHADHM CCC(CC)(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)SC ZINC000820887787 599680178 /nfs/dbraw/zinc/68/01/78/599680178.db2.gz QTMVELNRCIRAFE-UHFFFAOYSA-N -1 3 390.557 3.709 20 0 GHADHM CCC(CC)(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)SC ZINC000820887787 599680179 /nfs/dbraw/zinc/68/01/79/599680179.db2.gz QTMVELNRCIRAFE-UHFFFAOYSA-N -1 3 390.557 3.709 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820717321 599682398 /nfs/dbraw/zinc/68/23/98/599682398.db2.gz PPSNOZSFOZKXCH-KEYYUXOJSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820717321 599682399 /nfs/dbraw/zinc/68/23/99/599682399.db2.gz PPSNOZSFOZKXCH-KEYYUXOJSA-N -1 3 380.452 3.704 20 0 GHADHM COc1ccc(C2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000821787497 599685726 /nfs/dbraw/zinc/68/57/26/599685726.db2.gz UQSBQCVOYNFZPY-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1ccc(C2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000821787497 599685727 /nfs/dbraw/zinc/68/57/27/599685727.db2.gz UQSBQCVOYNFZPY-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1cccc(OC)c1OC1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000575065602 599710188 /nfs/dbraw/zinc/71/01/88/599710188.db2.gz RVWHKJAANITEMC-IBGZPJMESA-N -1 3 389.423 3.512 20 0 GHADHM Cc1c(C(=O)[O-])sc2[n-]c(C[NH2+][C@@H]3CCCC[C@H]3C(C)(C)C)nc(=O)c12 ZINC000738291868 599712572 /nfs/dbraw/zinc/71/25/72/599712572.db2.gz RPJMNXPMCDEEIC-VXGBXAGGSA-N -1 3 377.510 3.686 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000736274731 599714125 /nfs/dbraw/zinc/71/41/25/599714125.db2.gz WWHLZCYZUMJVCE-JKSUJKDBSA-N -1 3 378.469 3.732 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000736274062 599714130 /nfs/dbraw/zinc/71/41/30/599714130.db2.gz QJSBQDHYAHXTJA-HZPDHXFCSA-N -1 3 378.469 3.732 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1F ZINC000740008917 599717815 /nfs/dbraw/zinc/71/78/15/599717815.db2.gz SSGKCXFGDPXNJL-HNNXBMFYSA-N -1 3 392.456 3.936 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1cc(C)ccc1C ZINC000822230698 607395516 /nfs/dbraw/zinc/39/55/16/607395516.db2.gz NUHAJAKECNUMOL-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1cc(C)ccc1C ZINC000822230698 607395519 /nfs/dbraw/zinc/39/55/19/607395519.db2.gz NUHAJAKECNUMOL-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000736273077 599850283 /nfs/dbraw/zinc/85/02/83/599850283.db2.gz KFCIRWRBDALRDQ-RHSMWYFYSA-N -1 3 378.469 3.589 20 0 GHADHM Cc1cc(CN[C@H]2CCCc3c2cnn3C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000738390447 599860336 /nfs/dbraw/zinc/86/03/36/599860336.db2.gz ZTCPXKUEGGPFDR-SFHVURJKSA-N -1 3 385.508 3.886 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824449933 607422003 /nfs/dbraw/zinc/42/20/03/607422003.db2.gz QZNAHXOBALHFLA-CYBMUJFWSA-N -1 3 397.479 3.540 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824449933 607422005 /nfs/dbraw/zinc/42/20/05/607422005.db2.gz QZNAHXOBALHFLA-CYBMUJFWSA-N -1 3 397.479 3.540 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820164137 607427313 /nfs/dbraw/zinc/42/73/13/607427313.db2.gz FAKGUKSKFHGJTC-AWEZNQCLSA-N -1 3 392.463 3.805 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820164137 607427314 /nfs/dbraw/zinc/42/73/14/607427314.db2.gz FAKGUKSKFHGJTC-AWEZNQCLSA-N -1 3 392.463 3.805 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812544 607435122 /nfs/dbraw/zinc/43/51/22/607435122.db2.gz MHHQVHXQOXXGCU-OAHLLOKOSA-N -1 3 375.354 3.566 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812544 607435123 /nfs/dbraw/zinc/43/51/23/607435123.db2.gz MHHQVHXQOXXGCU-OAHLLOKOSA-N -1 3 375.354 3.566 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc(Br)ccc1OC(F)F)CC2 ZINC000566684622 600302944 /nfs/dbraw/zinc/30/29/44/600302944.db2.gz XTMCBZCYEABMST-GFCCVEGCSA-N -1 3 390.224 3.737 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736724397 600341487 /nfs/dbraw/zinc/34/14/87/600341487.db2.gz LERQDQKAHUFKHC-OXQOHEQNSA-N -1 3 396.491 3.753 20 0 GHADHM CN(Cc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1)C(=O)[O-] ZINC000737484188 600348779 /nfs/dbraw/zinc/34/87/79/600348779.db2.gz VGPZCMSSIVRIHE-HXUWFJFHSA-N -1 3 396.491 3.755 20 0 GHADHM CN(Cc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1)C(=O)[O-] ZINC000737484187 600348791 /nfs/dbraw/zinc/34/87/91/600348791.db2.gz VGPZCMSSIVRIHE-FQEVSTJZSA-N -1 3 396.491 3.755 20 0 GHADHM Cc1cc(C(=O)NC2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c(C)o1 ZINC000738329347 600404985 /nfs/dbraw/zinc/40/49/85/600404985.db2.gz FWLFNMUHJPCOML-SFHVURJKSA-N -1 3 390.867 3.570 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714956 607442792 /nfs/dbraw/zinc/44/27/92/607442792.db2.gz PSCTVVMGYQQNIT-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714956 607442794 /nfs/dbraw/zinc/44/27/94/607442794.db2.gz PSCTVVMGYQQNIT-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824071986 607451330 /nfs/dbraw/zinc/45/13/30/607451330.db2.gz PQNAGSXVDOPBFI-SFHVURJKSA-N -1 3 390.491 3.942 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824071986 607451332 /nfs/dbraw/zinc/45/13/32/607451332.db2.gz PQNAGSXVDOPBFI-SFHVURJKSA-N -1 3 390.491 3.942 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1F ZINC000825133113 607456981 /nfs/dbraw/zinc/45/69/81/607456981.db2.gz JLIPYBQFOWDHRF-KRWDZBQOSA-N -1 3 398.417 3.585 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1F ZINC000825133113 607456983 /nfs/dbraw/zinc/45/69/83/607456983.db2.gz JLIPYBQFOWDHRF-KRWDZBQOSA-N -1 3 398.417 3.585 20 0 GHADHM O=C(N[C@H](CC1CC1)c1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826426629 607459411 /nfs/dbraw/zinc/45/94/11/607459411.db2.gz RYIBIWVOPZPVJH-LJQANCHMSA-N -1 3 388.475 3.696 20 0 GHADHM O=C(N[C@H](CC1CC1)c1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826426629 607459412 /nfs/dbraw/zinc/45/94/12/607459412.db2.gz RYIBIWVOPZPVJH-LJQANCHMSA-N -1 3 388.475 3.696 20 0 GHADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1F ZINC000833166263 600747391 /nfs/dbraw/zinc/74/73/91/600747391.db2.gz FGAQPQOGSLORIU-DYVFJYSZSA-N -1 3 393.256 3.582 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1nc(C(C)C)c(C)s1 ZINC000825319110 607467190 /nfs/dbraw/zinc/46/71/90/607467190.db2.gz YITQTMRTQUNMPI-UHFFFAOYSA-N -1 3 398.536 3.736 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1nc(C(C)C)c(C)s1 ZINC000825319110 607467191 /nfs/dbraw/zinc/46/71/91/607467191.db2.gz YITQTMRTQUNMPI-UHFFFAOYSA-N -1 3 398.536 3.736 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000828284445 600834746 /nfs/dbraw/zinc/83/47/46/600834746.db2.gz FURLWYRTDRNYLR-IXDOHACOSA-N -1 3 378.538 3.528 20 0 GHADHM O=C([O-])C1CCN(C(=O)CN[C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000739592620 600957468 /nfs/dbraw/zinc/95/74/68/600957468.db2.gz IUEVCQWOWVLQMG-JOCHJYFZSA-N -1 3 394.515 3.663 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000826687847 601040101 /nfs/dbraw/zinc/04/01/01/601040101.db2.gz PTWOKEUJDVRFEK-LJQANCHMSA-N -1 3 397.450 3.872 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820293842 607505120 /nfs/dbraw/zinc/50/51/20/607505120.db2.gz PSNQBMCHTKIMBX-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820293842 607505121 /nfs/dbraw/zinc/50/51/21/607505121.db2.gz PSNQBMCHTKIMBX-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825019949 607512595 /nfs/dbraw/zinc/51/25/95/607512595.db2.gz HMKKTIGLGMUQOJ-JTQLQIEISA-N -1 3 375.263 3.688 20 0 GHADHM Cc1ccc([C@H](NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832923800 601652878 /nfs/dbraw/zinc/65/28/78/601652878.db2.gz DXRBXJBKOVKWFH-XGRCMKMKSA-N -1 3 380.488 3.614 20 0 GHADHM O=C([O-])C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1 ZINC000833264915 601732734 /nfs/dbraw/zinc/73/27/34/601732734.db2.gz LAZNQZLOPHOMJE-IBGZPJMESA-N -1 3 386.879 3.882 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1CCN(C(=O)[O-])CC1 ZINC000740251471 602001001 /nfs/dbraw/zinc/00/10/01/602001001.db2.gz BTNHOGRWUISBRY-UHFFFAOYSA-N -1 3 394.878 3.512 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000832050348 602165183 /nfs/dbraw/zinc/16/51/83/602165183.db2.gz PJORCEWACSGDQP-PIGZYNQJSA-N -1 3 381.375 3.782 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)ccc21 ZINC000740471710 602252761 /nfs/dbraw/zinc/25/27/61/602252761.db2.gz HZDVOOZLFKHTLK-QGZVFWFLSA-N -1 3 397.450 3.717 20 0 GHADHM O=C([O-])N[C@H](CCC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000740541471 602456316 /nfs/dbraw/zinc/45/63/16/602456316.db2.gz YRWMBNJILRYMBE-OAQYLSRUSA-N -1 3 395.503 3.510 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])N(C)C)cc1 ZINC000740116182 602605613 /nfs/dbraw/zinc/60/56/13/602605613.db2.gz AOVCAHJOAJFVOI-FQEVSTJZSA-N -1 3 396.491 3.850 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825160067 607577643 /nfs/dbraw/zinc/57/76/43/607577643.db2.gz XKCKDKIAOQKVAU-KRWDZBQOSA-N -1 3 399.476 3.748 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825160067 607577645 /nfs/dbraw/zinc/57/76/45/607577645.db2.gz XKCKDKIAOQKVAU-KRWDZBQOSA-N -1 3 399.476 3.748 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(-c2ccccc2)ns1 ZINC000826453013 607594742 /nfs/dbraw/zinc/59/47/42/607594742.db2.gz RZDFMQVUGNMIGA-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(-c2ccccc2)ns1 ZINC000826453013 607594744 /nfs/dbraw/zinc/59/47/44/607594744.db2.gz RZDFMQVUGNMIGA-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000825434102 603384825 /nfs/dbraw/zinc/38/48/25/603384825.db2.gz MFHCCMTXJBPIOI-HOTGVXAUSA-N -1 3 384.480 3.657 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825639568 607650635 /nfs/dbraw/zinc/65/06/35/607650635.db2.gz ZPQCUEYXJITEOG-LJQANCHMSA-N -1 3 377.448 3.551 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825639568 607650637 /nfs/dbraw/zinc/65/06/37/607650637.db2.gz ZPQCUEYXJITEOG-LJQANCHMSA-N -1 3 377.448 3.551 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)cs1 ZINC000826322641 607652117 /nfs/dbraw/zinc/65/21/17/607652117.db2.gz VDIUXESAGRXFEI-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)cs1 ZINC000826322641 607652119 /nfs/dbraw/zinc/65/21/19/607652119.db2.gz VDIUXESAGRXFEI-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826423531 607655684 /nfs/dbraw/zinc/65/56/84/607655684.db2.gz TZTKYGWIIJDNTF-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826423531 607655686 /nfs/dbraw/zinc/65/56/86/607655686.db2.gz TZTKYGWIIJDNTF-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000827939266 603885525 /nfs/dbraw/zinc/88/55/25/603885525.db2.gz VMBQPTTWQGODEL-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826316669 607676136 /nfs/dbraw/zinc/67/61/36/607676136.db2.gz VCPXCHRPIBNCSB-IAGOWNOFSA-N -1 3 381.505 3.777 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826316669 607676138 /nfs/dbraw/zinc/67/61/38/607676138.db2.gz VCPXCHRPIBNCSB-IAGOWNOFSA-N -1 3 381.505 3.777 20 0 GHADHM C[C@H](NC1CCC(NC(=O)[O-])CC1)c1ccccc1I ZINC000825471776 604355927 /nfs/dbraw/zinc/35/59/27/604355927.db2.gz BXZBQPDXZHQVQK-UNXYVOJBSA-N -1 3 388.249 3.521 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457716 607687981 /nfs/dbraw/zinc/68/79/81/607687981.db2.gz MVUAGNBREYVIFF-UHFFFAOYSA-N -1 3 376.445 3.739 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457716 607687982 /nfs/dbraw/zinc/68/79/82/607687982.db2.gz MVUAGNBREYVIFF-UHFFFAOYSA-N -1 3 376.445 3.739 20 0 GHADHM Cc1cc([C@@H](C)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000832870811 604384683 /nfs/dbraw/zinc/38/46/83/604384683.db2.gz MLKNGZLFNOGHFJ-CQSZACIVSA-N -1 3 388.439 3.515 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824352799 607692408 /nfs/dbraw/zinc/69/24/08/607692408.db2.gz OFECZHWLKRNUQI-HNNXBMFYSA-N -1 3 379.464 3.636 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824352799 607692411 /nfs/dbraw/zinc/69/24/11/607692411.db2.gz OFECZHWLKRNUQI-HNNXBMFYSA-N -1 3 379.464 3.636 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000826247052 607694244 /nfs/dbraw/zinc/69/42/44/607694244.db2.gz SDBRDISVOPORMS-AWEZNQCLSA-N -1 3 389.463 3.597 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000826247052 607694246 /nfs/dbraw/zinc/69/42/46/607694246.db2.gz SDBRDISVOPORMS-AWEZNQCLSA-N -1 3 389.463 3.597 20 0 GHADHM Cc1cc(COc2cccc(-c3nnn[n-]3)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267825 607708791 /nfs/dbraw/zinc/70/87/91/607708791.db2.gz YFRNLWLIWIXKEK-UHFFFAOYSA-N -1 3 378.823 3.865 20 0 GHADHM Cc1cc(COc2cccc(-c3nn[n-]n3)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267825 607708792 /nfs/dbraw/zinc/70/87/92/607708792.db2.gz YFRNLWLIWIXKEK-UHFFFAOYSA-N -1 3 378.823 3.865 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826244851 607709085 /nfs/dbraw/zinc/70/90/85/607709085.db2.gz FLUKSNSGXVECLZ-KRWDZBQOSA-N -1 3 388.431 3.684 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826244851 607709086 /nfs/dbraw/zinc/70/90/86/607709086.db2.gz FLUKSNSGXVECLZ-KRWDZBQOSA-N -1 3 388.431 3.684 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000833416801 604942274 /nfs/dbraw/zinc/94/22/74/604942274.db2.gz FGTWEOSGAFMFLD-PBHICJAKSA-N -1 3 378.900 3.658 20 0 GHADHM O=C([O-])[C@@H](Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1cccnc1 ZINC000833107139 605000122 /nfs/dbraw/zinc/00/01/22/605000122.db2.gz YSKHSQRLFXKFMW-NRFANRHFSA-N -1 3 396.491 3.524 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459727 607732047 /nfs/dbraw/zinc/73/20/47/607732047.db2.gz XHVGCXGYZDIWRT-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459727 607732049 /nfs/dbraw/zinc/73/20/49/607732049.db2.gz XHVGCXGYZDIWRT-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000825502864 605118735 /nfs/dbraw/zinc/11/87/35/605118735.db2.gz LWTXMSGLZDJMIH-HOTGVXAUSA-N -1 3 381.476 3.993 20 0 GHADHM CC(C)Sc1ccc([C@H](C)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737644678 605123071 /nfs/dbraw/zinc/12/30/71/605123071.db2.gz WOSNISKSBJXIHX-LSDHHAIUSA-N -1 3 378.538 3.549 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3F)C[C@@H]21 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GNWUARWRHJHGIA-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821616644 606045028 /nfs/dbraw/zinc/04/50/28/606045028.db2.gz AGDCVXGBPXLODI-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821616644 606045031 /nfs/dbraw/zinc/04/50/31/606045031.db2.gz AGDCVXGBPXLODI-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM Clc1ccc([C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)cc1 ZINC000822574578 606052580 /nfs/dbraw/zinc/05/25/80/606052580.db2.gz WEOLFMMLXVYEMD-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)cc1 ZINC000822574578 606052585 /nfs/dbraw/zinc/05/25/85/606052585.db2.gz WEOLFMMLXVYEMD-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000821762728 606116364 /nfs/dbraw/zinc/11/63/64/606116364.db2.gz PMPUGNRSGUEUBN-XIKOKIGWSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000821762728 606116366 /nfs/dbraw/zinc/11/63/66/606116366.db2.gz PMPUGNRSGUEUBN-XIKOKIGWSA-N -1 3 396.426 3.629 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341771 606117265 /nfs/dbraw/zinc/11/72/65/606117265.db2.gz RKGDZPZMYIZJGQ-CKFHNAJUSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341771 606117266 /nfs/dbraw/zinc/11/72/66/606117266.db2.gz RKGDZPZMYIZJGQ-CKFHNAJUSA-N -1 3 394.454 3.860 20 0 GHADHM O=C(N[C@@H]1CCCc2[nH]ccc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823149499 606119167 /nfs/dbraw/zinc/11/91/67/606119167.db2.gz CEAPOTQZPMQDQC-HXUWFJFHSA-N -1 3 384.443 3.669 20 0 GHADHM O=C(N[C@@H]1CCCc2[nH]ccc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823149499 606119168 /nfs/dbraw/zinc/11/91/68/606119168.db2.gz CEAPOTQZPMQDQC-HXUWFJFHSA-N -1 3 384.443 3.669 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@@H]1CC12CCCC2 ZINC000823357522 606148800 /nfs/dbraw/zinc/14/88/00/606148800.db2.gz WVSJYGSWQBTCGK-INIZCTEOSA-N -1 3 376.420 3.573 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@@H]1CC12CCCC2 ZINC000823357522 606148801 /nfs/dbraw/zinc/14/88/01/606148801.db2.gz WVSJYGSWQBTCGK-INIZCTEOSA-N -1 3 376.420 3.573 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2oc(-c3ccccc3)nc2C)s1 ZINC000821469607 606185031 /nfs/dbraw/zinc/18/50/31/606185031.db2.gz HBMIDDIZNBFPQM-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2oc(-c3ccccc3)nc2C)s1 ZINC000821469607 606185032 /nfs/dbraw/zinc/18/50/32/606185032.db2.gz HBMIDDIZNBFPQM-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM Cc1cnc(COC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000822394838 606236857 /nfs/dbraw/zinc/23/68/57/606236857.db2.gz JKIAXUAXRCDGAY-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cc1cnc(COC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000822394838 606236858 /nfs/dbraw/zinc/23/68/58/606236858.db2.gz JKIAXUAXRCDGAY-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM c1cnc2nc(Oc3ccc(Oc4ccc(-c5nn[n-]n5)cc4)cc3)ccc2n1 ZINC000823815184 606242374 /nfs/dbraw/zinc/24/23/74/606242374.db2.gz AGDGXVGAQLXVFS-UHFFFAOYSA-N -1 3 383.371 3.790 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(F)c2o1 ZINC000821122984 606281764 /nfs/dbraw/zinc/28/17/64/606281764.db2.gz FUBHSIBEGQRIOC-UHFFFAOYSA-N -1 3 380.383 3.826 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000821118844 606282588 /nfs/dbraw/zinc/28/25/88/606282588.db2.gz SFFDIALIPHECNM-CQSZACIVSA-N -1 3 380.477 3.517 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823336866 606320667 /nfs/dbraw/zinc/32/06/67/606320667.db2.gz BBFPZIJREGFKHA-UHFFFAOYSA-N -1 3 382.786 3.907 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823336866 606320668 /nfs/dbraw/zinc/32/06/68/606320668.db2.gz BBFPZIJREGFKHA-UHFFFAOYSA-N -1 3 382.786 3.907 20 0 GHADHM Cc1ncccc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822472411 606325396 /nfs/dbraw/zinc/32/53/96/606325396.db2.gz RVURKKHXMUWASI-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ncccc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822472411 606325398 /nfs/dbraw/zinc/32/53/98/606325398.db2.gz RVURKKHXMUWASI-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM O=C([C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1)N1CCCCC1 ZINC000822912063 606329877 /nfs/dbraw/zinc/32/98/77/606329877.db2.gz KQRXKYYQSSLCMX-GOSISDBHSA-N -1 3 379.489 3.713 20 0 GHADHM O=C([C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1)N1CCCCC1 ZINC000822912063 606329878 /nfs/dbraw/zinc/32/98/78/606329878.db2.gz KQRXKYYQSSLCMX-GOSISDBHSA-N -1 3 379.489 3.713 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2coc3cc(F)ccc23)c1-c1nnn[n-]1 ZINC000821466056 606335671 /nfs/dbraw/zinc/33/56/71/606335671.db2.gz USNYRLYBWDRNSS-UHFFFAOYSA-N -1 3 385.424 3.866 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2coc3cc(F)ccc23)c1-c1nn[n-]n1 ZINC000821466056 606335673 /nfs/dbraw/zinc/33/56/73/606335673.db2.gz USNYRLYBWDRNSS-UHFFFAOYSA-N -1 3 385.424 3.866 20 0 GHADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154584 606335694 /nfs/dbraw/zinc/33/56/94/606335694.db2.gz PMVWZDVOPQVLCH-VIFPVBQESA-N -1 3 393.344 3.646 20 0 GHADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154584 606335696 /nfs/dbraw/zinc/33/56/96/606335696.db2.gz PMVWZDVOPQVLCH-VIFPVBQESA-N -1 3 393.344 3.646 20 0 GHADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519108 606339156 /nfs/dbraw/zinc/33/91/56/606339156.db2.gz PKAYGQRNNOBXHH-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519108 606339158 /nfs/dbraw/zinc/33/91/58/606339158.db2.gz PKAYGQRNNOBXHH-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821982780 606341461 /nfs/dbraw/zinc/34/14/61/606341461.db2.gz BBDNDCKDZZLUSY-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821982780 606341462 /nfs/dbraw/zinc/34/14/62/606341462.db2.gz BBDNDCKDZZLUSY-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM C[C@@H](OC(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519167 606344385 /nfs/dbraw/zinc/34/43/85/606344385.db2.gz QAXWNJYXQAHOHL-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519167 606344388 /nfs/dbraw/zinc/34/43/88/606344388.db2.gz QAXWNJYXQAHOHL-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822026986 606346050 /nfs/dbraw/zinc/34/60/50/606346050.db2.gz CFBKRYLEDFTSKP-UHFFFAOYSA-N -1 3 384.346 3.521 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822026986 606346052 /nfs/dbraw/zinc/34/60/52/606346052.db2.gz CFBKRYLEDFTSKP-UHFFFAOYSA-N -1 3 384.346 3.521 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000823344123 606346494 /nfs/dbraw/zinc/34/64/94/606346494.db2.gz RAMPHLXGGFHBHJ-INIZCTEOSA-N -1 3 388.353 3.653 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000823344123 606346496 /nfs/dbraw/zinc/34/64/96/606346496.db2.gz RAMPHLXGGFHBHJ-INIZCTEOSA-N -1 3 388.353 3.653 20 0 GHADHM C[C@H](OC(=O)CCCOCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495242 606355981 /nfs/dbraw/zinc/35/59/81/606355981.db2.gz FHYUEPGQXPKJSM-INIZCTEOSA-N -1 3 380.448 3.510 20 0 GHADHM C[C@H](OC(=O)CCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495242 606355983 /nfs/dbraw/zinc/35/59/83/606355983.db2.gz FHYUEPGQXPKJSM-INIZCTEOSA-N -1 3 380.448 3.510 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822356808 606356243 /nfs/dbraw/zinc/35/62/43/606356243.db2.gz ZMCLBPDCSMPKAF-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822356808 606356245 /nfs/dbraw/zinc/35/62/45/606356245.db2.gz ZMCLBPDCSMPKAF-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCC[C@H]1Cc1ccccc1 ZINC000823344366 606358076 /nfs/dbraw/zinc/35/80/76/606358076.db2.gz WMFLQXMKOGBNOR-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@H]1Cc1ccccc1 ZINC000823344366 606358077 /nfs/dbraw/zinc/35/80/77/606358077.db2.gz WMFLQXMKOGBNOR-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820667715 606359082 /nfs/dbraw/zinc/35/90/82/606359082.db2.gz NPFKGYUYBYTCMJ-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820667715 606359084 /nfs/dbraw/zinc/35/90/84/606359084.db2.gz NPFKGYUYBYTCMJ-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339463 606361749 /nfs/dbraw/zinc/36/17/49/606361749.db2.gz CQOKVALKMJGNSF-KHYOSLBOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339463 606361751 /nfs/dbraw/zinc/36/17/51/606361751.db2.gz CQOKVALKMJGNSF-KHYOSLBOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397977 606362189 /nfs/dbraw/zinc/36/21/89/606362189.db2.gz YEZRCMJWABKJHL-ZDUSSCGKSA-N -1 3 375.388 3.743 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397977 606362191 /nfs/dbraw/zinc/36/21/91/606362191.db2.gz YEZRCMJWABKJHL-ZDUSSCGKSA-N -1 3 375.388 3.743 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cnc2ccccc12 ZINC000822020642 606362864 /nfs/dbraw/zinc/36/28/64/606362864.db2.gz FZZFTWWIMBVLNH-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cnc2ccccc12 ZINC000822020642 606362865 /nfs/dbraw/zinc/36/28/65/606362865.db2.gz FZZFTWWIMBVLNH-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380065 606382098 /nfs/dbraw/zinc/38/20/98/606382098.db2.gz KNVNEPQQYIYLOQ-LBPRGKRZSA-N -1 3 396.426 3.820 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380065 606382100 /nfs/dbraw/zinc/38/21/00/606382100.db2.gz KNVNEPQQYIYLOQ-LBPRGKRZSA-N -1 3 396.426 3.820 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820348840 606441231 /nfs/dbraw/zinc/44/12/31/606441231.db2.gz GKOHWJUYQTYXAK-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820348840 606441233 /nfs/dbraw/zinc/44/12/33/606441233.db2.gz GKOHWJUYQTYXAK-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM CC(=O)Nc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(C(F)(F)F)c1 ZINC000819817738 606442877 /nfs/dbraw/zinc/44/28/77/606442877.db2.gz KXLITMFMGJQCMG-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(C(F)(F)F)c1 ZINC000819817738 606442879 /nfs/dbraw/zinc/44/28/79/606442879.db2.gz KXLITMFMGJQCMG-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM COc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000821786780 606443564 /nfs/dbraw/zinc/44/35/64/606443564.db2.gz JEACQTMUCAZTBZ-QGZVFWFLSA-N -1 3 385.855 3.879 20 0 GHADHM COc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000821786780 606443565 /nfs/dbraw/zinc/44/35/65/606443565.db2.gz JEACQTMUCAZTBZ-QGZVFWFLSA-N -1 3 385.855 3.879 20 0 GHADHM O=C(O[C@@H]1CCc2cc(Br)ccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823397024 606465226 /nfs/dbraw/zinc/46/52/26/606465226.db2.gz QSLBJHBYOFGDSZ-GFCCVEGCSA-N -1 3 391.250 3.535 20 0 GHADHM O=C(O[C@@H]1CCc2cc(Br)ccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823397024 606465228 /nfs/dbraw/zinc/46/52/28/606465228.db2.gz QSLBJHBYOFGDSZ-GFCCVEGCSA-N -1 3 391.250 3.535 20 0 GHADHM C[C@H](c1ccccc1F)N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820570145 606483073 /nfs/dbraw/zinc/48/30/73/606483073.db2.gz DWPLBKGAGRUWJT-LLVKDONJSA-N -1 3 377.370 3.800 20 0 GHADHM C[C@H](c1ccccc1F)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820570145 606483076 /nfs/dbraw/zinc/48/30/76/606483076.db2.gz DWPLBKGAGRUWJT-LLVKDONJSA-N -1 3 377.370 3.800 20 0 GHADHM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823360239 606484346 /nfs/dbraw/zinc/48/43/46/606484346.db2.gz XKZDEXIEAYGZHK-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823360239 606484350 /nfs/dbraw/zinc/48/43/50/606484350.db2.gz XKZDEXIEAYGZHK-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1Cl ZINC000820334170 606493087 /nfs/dbraw/zinc/49/30/87/606493087.db2.gz KFQWNQKQKXWNMN-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1Cl ZINC000820334170 606493089 /nfs/dbraw/zinc/49/30/89/606493089.db2.gz KFQWNQKQKXWNMN-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM CC(C)c1ccc(OC2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000820192356 606493706 /nfs/dbraw/zinc/49/37/06/606493706.db2.gz KYCYVDYVUKGUCS-UHFFFAOYSA-N -1 3 397.504 3.735 20 0 GHADHM CC(C)c1ccc(OC2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000820192356 606493708 /nfs/dbraw/zinc/49/37/08/606493708.db2.gz KYCYVDYVUKGUCS-UHFFFAOYSA-N -1 3 397.504 3.735 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000822237186 606499771 /nfs/dbraw/zinc/49/97/71/606499771.db2.gz JAOQUPSJKPTTGY-UHFFFAOYSA-N -1 3 385.474 3.734 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000822237186 606499772 /nfs/dbraw/zinc/49/97/72/606499772.db2.gz JAOQUPSJKPTTGY-UHFFFAOYSA-N -1 3 385.474 3.734 20 0 GHADHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nc(C)cs1 ZINC000820854664 606501982 /nfs/dbraw/zinc/50/19/82/606501982.db2.gz XMPZYLMULUEKHX-QGZVFWFLSA-N -1 3 394.451 3.648 20 0 GHADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1nc(C)cs1 ZINC000820854664 606501983 /nfs/dbraw/zinc/50/19/83/606501983.db2.gz XMPZYLMULUEKHX-QGZVFWFLSA-N -1 3 394.451 3.648 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820562101 606504697 /nfs/dbraw/zinc/50/46/97/606504697.db2.gz DNRMFPZXTUGWGM-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820562101 606504700 /nfs/dbraw/zinc/50/47/00/606504700.db2.gz DNRMFPZXTUGWGM-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000821082780 606515792 /nfs/dbraw/zinc/51/57/92/606515792.db2.gz NZVQTMHKTITAEK-CVEARBPZSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000821082780 606515793 /nfs/dbraw/zinc/51/57/93/606515793.db2.gz NZVQTMHKTITAEK-CVEARBPZSA-N -1 3 389.525 3.518 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357731 606529312 /nfs/dbraw/zinc/52/93/12/606529312.db2.gz JLKUHYWIDGVBTK-YWPYICTPSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357731 606529314 /nfs/dbraw/zinc/52/93/14/606529314.db2.gz JLKUHYWIDGVBTK-YWPYICTPSA-N -1 3 396.417 3.596 20 0 GHADHM CCC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000820966992 606529341 /nfs/dbraw/zinc/52/93/41/606529341.db2.gz JTUJTAOYSCNQCH-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CCC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000820966992 606529343 /nfs/dbraw/zinc/52/93/43/606529343.db2.gz JTUJTAOYSCNQCH-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000820203277 606535658 /nfs/dbraw/zinc/53/56/58/606535658.db2.gz QRAQOJUOERJWGE-UHFFFAOYSA-N -1 3 378.461 3.781 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000820203277 606535660 /nfs/dbraw/zinc/53/56/60/606535660.db2.gz QRAQOJUOERJWGE-UHFFFAOYSA-N -1 3 378.461 3.781 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822237201 606536431 /nfs/dbraw/zinc/53/64/31/606536431.db2.gz JMSOQNQASRJWOA-UHFFFAOYSA-N -1 3 393.472 3.601 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822237201 606536433 /nfs/dbraw/zinc/53/64/33/606536433.db2.gz JMSOQNQASRJWOA-UHFFFAOYSA-N -1 3 393.472 3.601 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820938325 606539123 /nfs/dbraw/zinc/53/91/23/606539123.db2.gz IMFPTVYHEFSBFR-WOJBJXKFSA-N -1 3 375.476 3.594 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820938325 606539125 /nfs/dbraw/zinc/53/91/25/606539125.db2.gz IMFPTVYHEFSBFR-WOJBJXKFSA-N -1 3 375.476 3.594 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823093060 606576338 /nfs/dbraw/zinc/57/63/38/606576338.db2.gz SULPKDRRQZNKQI-QFIPXVFZSA-N -1 3 395.466 3.735 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823093060 606576340 /nfs/dbraw/zinc/57/63/40/606576340.db2.gz SULPKDRRQZNKQI-QFIPXVFZSA-N -1 3 395.466 3.735 20 0 GHADHM CC(C)(NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000819987616 606577113 /nfs/dbraw/zinc/57/71/13/606577113.db2.gz BZXFJHCFLGWQEV-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM CC(C)(NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000819987616 606577115 /nfs/dbraw/zinc/57/71/15/606577115.db2.gz BZXFJHCFLGWQEV-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823332752 606577236 /nfs/dbraw/zinc/57/72/36/606577236.db2.gz QPKYSOBGHLSBQX-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823332752 606577238 /nfs/dbraw/zinc/57/72/38/606577238.db2.gz QPKYSOBGHLSBQX-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000823078450 606587674 /nfs/dbraw/zinc/58/76/74/606587674.db2.gz NIWBEMBKBRAFGE-QFIPXVFZSA-N -1 3 397.482 3.552 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000823078450 606587676 /nfs/dbraw/zinc/58/76/76/606587676.db2.gz NIWBEMBKBRAFGE-QFIPXVFZSA-N -1 3 397.482 3.552 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000821778000 606630458 /nfs/dbraw/zinc/63/04/58/606630458.db2.gz RJVMVZPKRMCMEA-INIZCTEOSA-N -1 3 393.491 3.806 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000821778000 606630460 /nfs/dbraw/zinc/63/04/60/606630460.db2.gz RJVMVZPKRMCMEA-INIZCTEOSA-N -1 3 393.491 3.806 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000823066003 606630783 /nfs/dbraw/zinc/63/07/83/606630783.db2.gz IEQQSXWYTFAVCK-IUODEOHRSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000823066003 606630785 /nfs/dbraw/zinc/63/07/85/606630785.db2.gz IEQQSXWYTFAVCK-IUODEOHRSA-N -1 3 391.928 3.793 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821831526 606630853 /nfs/dbraw/zinc/63/08/53/606630853.db2.gz CHUXTYNPBNFAJW-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000821831526 606630855 /nfs/dbraw/zinc/63/08/55/606630855.db2.gz CHUXTYNPBNFAJW-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C/SCc1ccco1 ZINC000820116788 606636315 /nfs/dbraw/zinc/63/63/15/606636315.db2.gz NPKIXNYDGGMABH-PKNBQFBNSA-N -1 3 383.477 3.644 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C/SCc1ccco1 ZINC000820116788 606636316 /nfs/dbraw/zinc/63/63/16/606636316.db2.gz NPKIXNYDGGMABH-PKNBQFBNSA-N -1 3 383.477 3.644 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000820385137 606661896 /nfs/dbraw/zinc/66/18/96/606661896.db2.gz PRXPZHZDQXAWOF-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000820385137 606661897 /nfs/dbraw/zinc/66/18/97/606661897.db2.gz PRXPZHZDQXAWOF-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821563947 606663582 /nfs/dbraw/zinc/66/35/82/606663582.db2.gz NCHCFEALSGJCQJ-UHFFFAOYSA-N -1 3 397.385 3.726 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821563947 606663583 /nfs/dbraw/zinc/66/35/83/606663583.db2.gz NCHCFEALSGJCQJ-UHFFFAOYSA-N -1 3 397.385 3.726 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cnc(Cc2ccccc2)s1 ZINC000823332753 606665640 /nfs/dbraw/zinc/66/56/40/606665640.db2.gz QSFKKOZUYNQAGP-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cnc(Cc2ccccc2)s1 ZINC000823332753 606665641 /nfs/dbraw/zinc/66/56/41/606665641.db2.gz QSFKKOZUYNQAGP-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823246137 606665661 /nfs/dbraw/zinc/66/56/61/606665661.db2.gz CUSGTBQTWUZUJY-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823246137 606665662 /nfs/dbraw/zinc/66/56/62/606665662.db2.gz CUSGTBQTWUZUJY-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821614721 606667246 /nfs/dbraw/zinc/66/72/46/606667246.db2.gz RXQYQYORZKVUMC-UHFFFAOYSA-N -1 3 379.370 3.570 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821614721 606667247 /nfs/dbraw/zinc/66/72/47/606667247.db2.gz RXQYQYORZKVUMC-UHFFFAOYSA-N -1 3 379.370 3.570 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000821100064 606667801 /nfs/dbraw/zinc/66/78/01/606667801.db2.gz SQOOJNHUYLQZCR-UHFFFAOYSA-N -1 3 399.445 3.906 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000821100064 606667802 /nfs/dbraw/zinc/66/78/02/606667802.db2.gz SQOOJNHUYLQZCR-UHFFFAOYSA-N -1 3 399.445 3.906 20 0 GHADHM CC(C)C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000820054600 606674326 /nfs/dbraw/zinc/67/43/26/606674326.db2.gz CCNXNBWXGZSHJC-ZDUSSCGKSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000820054600 606674327 /nfs/dbraw/zinc/67/43/27/606674327.db2.gz CCNXNBWXGZSHJC-ZDUSSCGKSA-N -1 3 377.420 3.724 20 0 GHADHM O=C(Nc1cnccc1Oc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823376134 606675918 /nfs/dbraw/zinc/67/59/18/606675918.db2.gz XQDHKJGTKWSGHB-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cnccc1Oc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823376134 606675919 /nfs/dbraw/zinc/67/59/19/606675919.db2.gz XQDHKJGTKWSGHB-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000821104959 606679967 /nfs/dbraw/zinc/67/99/67/606679967.db2.gz TWXXAHZHUANONH-OAHLLOKOSA-N -1 3 396.470 3.997 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000821104959 606679968 /nfs/dbraw/zinc/67/99/68/606679968.db2.gz TWXXAHZHUANONH-OAHLLOKOSA-N -1 3 396.470 3.997 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140398 606693757 /nfs/dbraw/zinc/69/37/57/606693757.db2.gz VAJWUGRRCWKMEG-KRWDZBQOSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140398 606693758 /nfs/dbraw/zinc/69/37/58/606693758.db2.gz VAJWUGRRCWKMEG-KRWDZBQOSA-N -1 3 379.420 3.587 20 0 GHADHM CSc1ccc(Cl)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821983858 606701502 /nfs/dbraw/zinc/70/15/02/606701502.db2.gz JYDOSAZQJIQJKJ-UHFFFAOYSA-N -1 3 399.867 3.904 20 0 GHADHM CSc1ccc(Cl)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821983858 606701504 /nfs/dbraw/zinc/70/15/04/606701504.db2.gz JYDOSAZQJIQJKJ-UHFFFAOYSA-N -1 3 399.867 3.904 20 0 GHADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820292419 606733691 /nfs/dbraw/zinc/73/36/91/606733691.db2.gz FPXFDASZMHKRJH-NSHDSACASA-N -1 3 391.353 3.539 20 0 GHADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820292419 606733692 /nfs/dbraw/zinc/73/36/92/606733692.db2.gz FPXFDASZMHKRJH-NSHDSACASA-N -1 3 391.353 3.539 20 0 GHADHM CC(C)c1cccc(COC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n1 ZINC000820192771 606737373 /nfs/dbraw/zinc/73/73/73/606737373.db2.gz YUZXIEVOBFZINY-LJQANCHMSA-N -1 3 395.463 3.532 20 0 GHADHM CC(C)c1cccc(COC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n1 ZINC000820192771 606737375 /nfs/dbraw/zinc/73/73/75/606737375.db2.gz YUZXIEVOBFZINY-LJQANCHMSA-N -1 3 395.463 3.532 20 0 GHADHM CCC1(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820962270 606743410 /nfs/dbraw/zinc/74/34/10/606743410.db2.gz LYLNOYSCJFGZOJ-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM CCC1(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820962270 606743412 /nfs/dbraw/zinc/74/34/12/606743412.db2.gz LYLNOYSCJFGZOJ-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822436276 606771817 /nfs/dbraw/zinc/77/18/17/606771817.db2.gz KPWPVJFMTUKZLQ-LLVKDONJSA-N -1 3 385.497 3.713 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822436276 606771819 /nfs/dbraw/zinc/77/18/19/606771819.db2.gz KPWPVJFMTUKZLQ-LLVKDONJSA-N -1 3 385.497 3.713 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000822136553 606775995 /nfs/dbraw/zinc/77/59/95/606775995.db2.gz MJQZUUPOFAVJRN-HNNXBMFYSA-N -1 3 377.448 3.982 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000822136553 606775997 /nfs/dbraw/zinc/77/59/97/606775997.db2.gz MJQZUUPOFAVJRN-HNNXBMFYSA-N -1 3 377.448 3.982 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000822573987 606787396 /nfs/dbraw/zinc/78/73/96/606787396.db2.gz MLXJWPYWIPEKML-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000822573987 606787398 /nfs/dbraw/zinc/78/73/98/606787398.db2.gz MLXJWPYWIPEKML-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000822136580 606792798 /nfs/dbraw/zinc/79/27/98/606792798.db2.gz MLBZOJPAHLMAFN-AEFFLSMTSA-N -1 3 375.432 3.592 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000822136580 606792799 /nfs/dbraw/zinc/79/27/99/606792799.db2.gz MLBZOJPAHLMAFN-AEFFLSMTSA-N -1 3 375.432 3.592 20 0 GHADHM CSCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821960601 606792818 /nfs/dbraw/zinc/79/28/18/606792818.db2.gz ATVCBHMHVGLBTP-UHFFFAOYSA-N -1 3 397.504 3.840 20 0 GHADHM CSCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821960601 606792820 /nfs/dbraw/zinc/79/28/20/606792820.db2.gz ATVCBHMHVGLBTP-UHFFFAOYSA-N -1 3 397.504 3.840 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821951448 606796527 /nfs/dbraw/zinc/79/65/27/606796527.db2.gz YUZFSJSOLKLLCT-UHFFFAOYSA-N -1 3 397.504 3.839 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821951448 606796529 /nfs/dbraw/zinc/79/65/29/606796529.db2.gz YUZFSJSOLKLLCT-UHFFFAOYSA-N -1 3 397.504 3.839 20 0 GHADHM c1ccc(-c2nnc(CSCCCOc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823767775 606841721 /nfs/dbraw/zinc/84/17/21/606841721.db2.gz XCFWKBLEUQBVPT-UHFFFAOYSA-N -1 3 394.460 3.619 20 0 GHADHM c1ccc(-c2nnc(CSCCCOc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823767775 606841722 /nfs/dbraw/zinc/84/17/22/606841722.db2.gz XCFWKBLEUQBVPT-UHFFFAOYSA-N -1 3 394.460 3.619 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cc(F)ccc1F ZINC000820550773 606852918 /nfs/dbraw/zinc/85/29/18/606852918.db2.gz YTXXRESRBVCASU-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cc(F)ccc1F ZINC000820550773 606852920 /nfs/dbraw/zinc/85/29/20/606852920.db2.gz YTXXRESRBVCASU-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1Cl ZINC000823066018 606854635 /nfs/dbraw/zinc/85/46/35/606854635.db2.gz IVBILHOASYJTLY-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1Cl ZINC000823066018 606854637 /nfs/dbraw/zinc/85/46/37/606854637.db2.gz IVBILHOASYJTLY-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822242233 606863940 /nfs/dbraw/zinc/86/39/40/606863940.db2.gz FMOSWIBCBJSAME-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822242233 606863941 /nfs/dbraw/zinc/86/39/41/606863941.db2.gz FMOSWIBCBJSAME-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM Brc1ccc(N2CCCC2)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000819688819 606865968 /nfs/dbraw/zinc/86/59/68/606865968.db2.gz NJFFJDNONQTONG-UHFFFAOYSA-N -1 3 399.296 3.842 20 0 GHADHM Brc1ccc(N2CCCC2)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000819688819 606865969 /nfs/dbraw/zinc/86/59/69/606865969.db2.gz NJFFJDNONQTONG-UHFFFAOYSA-N -1 3 399.296 3.842 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C(C)C ZINC000822217802 606953017 /nfs/dbraw/zinc/95/30/17/606953017.db2.gz NXRVOLTVONUHBQ-IBGZPJMESA-N -1 3 376.464 3.962 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C(C)C ZINC000822217802 606953019 /nfs/dbraw/zinc/95/30/19/606953019.db2.gz NXRVOLTVONUHBQ-IBGZPJMESA-N -1 3 376.464 3.962 20 0 GHADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820950070 606953100 /nfs/dbraw/zinc/95/31/00/606953100.db2.gz JCSJRWWARSSMOA-HXUWFJFHSA-N -1 3 393.451 3.708 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820051050 606954709 /nfs/dbraw/zinc/95/47/09/606954709.db2.gz JXKMCHNNRYPTQC-GOSISDBHSA-N -1 3 380.427 3.793 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820051050 606954711 /nfs/dbraw/zinc/95/47/11/606954711.db2.gz JXKMCHNNRYPTQC-GOSISDBHSA-N -1 3 380.427 3.793 20 0 GHADHM CC(C)COc1cccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000820102650 606960068 /nfs/dbraw/zinc/96/00/68/606960068.db2.gz FPRKSZBHZDGYDV-UHFFFAOYSA-N -1 3 385.855 3.832 20 0 GHADHM CC(C)COc1cccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000820102650 606960069 /nfs/dbraw/zinc/96/00/69/606960069.db2.gz FPRKSZBHZDGYDV-UHFFFAOYSA-N -1 3 385.855 3.832 20 0 GHADHM CCOc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821416565 606960324 /nfs/dbraw/zinc/96/03/24/606960324.db2.gz AJHBDALIPVGFKZ-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCOc1ccc(CCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821416565 606960326 /nfs/dbraw/zinc/96/03/26/606960326.db2.gz AJHBDALIPVGFKZ-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CN(C(=O)c1cccc(-n2cccc2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574600 606961545 /nfs/dbraw/zinc/96/15/45/606961545.db2.gz NTTDAGMWZYOZEN-UHFFFAOYSA-N -1 3 378.823 3.587 20 0 GHADHM CN(C(=O)c1cccc(-n2cccc2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574600 606961546 /nfs/dbraw/zinc/96/15/46/606961546.db2.gz NTTDAGMWZYOZEN-UHFFFAOYSA-N -1 3 378.823 3.587 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N(C)Cc3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822213830 606961909 /nfs/dbraw/zinc/96/19/09/606961909.db2.gz CKBBWSBKUZQYFT-HNNXBMFYSA-N -1 3 389.463 3.727 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820938681 606964450 /nfs/dbraw/zinc/96/44/50/606964450.db2.gz LPATZJOSLSSBHR-MRXNPFEDSA-N -1 3 385.855 3.649 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820938681 606964452 /nfs/dbraw/zinc/96/44/52/606964452.db2.gz LPATZJOSLSSBHR-MRXNPFEDSA-N -1 3 385.855 3.649 20 0 GHADHM CN(C(=O)c1cnc(C(C)(C)C)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574545 606964849 /nfs/dbraw/zinc/96/48/49/606964849.db2.gz LEPXLZPWYFKKIX-UHFFFAOYSA-N -1 3 376.873 3.551 20 0 GHADHM CN(C(=O)c1cnc(C(C)(C)C)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574545 606964850 /nfs/dbraw/zinc/96/48/50/606964850.db2.gz LEPXLZPWYFKKIX-UHFFFAOYSA-N -1 3 376.873 3.551 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000819899352 606964961 /nfs/dbraw/zinc/96/49/61/606964961.db2.gz SKEBACWGUAUJRB-SFHVURJKSA-N -1 3 385.418 3.591 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000819899352 606964963 /nfs/dbraw/zinc/96/49/63/606964963.db2.gz SKEBACWGUAUJRB-SFHVURJKSA-N -1 3 385.418 3.591 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1c(C)ccc2ccccc21 ZINC000822280566 606981147 /nfs/dbraw/zinc/98/11/47/606981147.db2.gz RWZXGZLULBNOHW-UHFFFAOYSA-N -1 3 381.443 3.944 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1c(C)ccc2ccccc21 ZINC000822280566 606981149 /nfs/dbraw/zinc/98/11/49/606981149.db2.gz RWZXGZLULBNOHW-UHFFFAOYSA-N -1 3 381.443 3.944 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821446912 606988560 /nfs/dbraw/zinc/98/85/60/606988560.db2.gz FUZOZDOJOXOVGZ-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821446912 606988562 /nfs/dbraw/zinc/98/85/62/606988562.db2.gz FUZOZDOJOXOVGZ-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)sc2n1 ZINC000822195596 606992293 /nfs/dbraw/zinc/99/22/93/606992293.db2.gz XQRRUCDWUIJTRE-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1cc(C)c2cc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)sc2n1 ZINC000822195596 606992294 /nfs/dbraw/zinc/99/22/94/606992294.db2.gz XQRRUCDWUIJTRE-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)nc2ccccc21 ZINC000823422564 606992696 /nfs/dbraw/zinc/99/26/96/606992696.db2.gz WSHUBUNLENNNEZ-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)nc2ccccc21 ZINC000823422564 606992698 /nfs/dbraw/zinc/99/26/98/606992698.db2.gz WSHUBUNLENNNEZ-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1ccncc1 ZINC000820727207 607006748 /nfs/dbraw/zinc/00/67/48/607006748.db2.gz ITYFOKCEZWHIKE-RYUDHWBXSA-N -1 3 382.493 3.580 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1ccncc1 ZINC000820727207 607006750 /nfs/dbraw/zinc/00/67/50/607006750.db2.gz ITYFOKCEZWHIKE-RYUDHWBXSA-N -1 3 382.493 3.580 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820555308 607009631 /nfs/dbraw/zinc/00/96/31/607009631.db2.gz IRYKKVDNJDFKLN-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000820555308 607009633 /nfs/dbraw/zinc/00/96/33/607009633.db2.gz IRYKKVDNJDFKLN-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820219470 607018388 /nfs/dbraw/zinc/01/83/88/607018388.db2.gz GXIUEIKCIWHNPG-QGZVFWFLSA-N -1 3 398.470 3.989 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820219470 607018389 /nfs/dbraw/zinc/01/83/89/607018389.db2.gz GXIUEIKCIWHNPG-QGZVFWFLSA-N -1 3 398.470 3.989 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000821346819 607034508 /nfs/dbraw/zinc/03/45/08/607034508.db2.gz QCAPIRPGIXFPPP-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000821346819 607034510 /nfs/dbraw/zinc/03/45/10/607034510.db2.gz QCAPIRPGIXFPPP-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000821565234 607037543 /nfs/dbraw/zinc/03/75/43/607037543.db2.gz KDZZBIPPCMKVQM-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000821565234 607037544 /nfs/dbraw/zinc/03/75/44/607037544.db2.gz KDZZBIPPCMKVQM-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000821119451 607043050 /nfs/dbraw/zinc/04/30/50/607043050.db2.gz ZNGPZNBWJSXCFW-ZRDIBKRKSA-N -1 3 399.458 3.889 20 0 GHADHM O=C(NCCc1ccc(-c2ccccc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000823219543 607045128 /nfs/dbraw/zinc/04/51/28/607045128.db2.gz LAFHITSWJBJPNP-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM O=C(NCCc1ccc(-c2ccccc2)cc1)c1sccc1-c1nn[n-]n1 ZINC000823219543 607045129 /nfs/dbraw/zinc/04/51/29/607045129.db2.gz LAFHITSWJBJPNP-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM Fc1cccc2ncnc(Oc3ccc(Br)cc3-c3nnn[n-]3)c12 ZINC000822791968 607046472 /nfs/dbraw/zinc/04/64/72/607046472.db2.gz OUZGBRROGOYTLZ-UHFFFAOYSA-N -1 3 387.172 3.504 20 0 GHADHM Fc1cccc2ncnc(Oc3ccc(Br)cc3-c3nn[n-]n3)c12 ZINC000822791968 607046474 /nfs/dbraw/zinc/04/64/74/607046474.db2.gz OUZGBRROGOYTLZ-UHFFFAOYSA-N -1 3 387.172 3.504 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821394780 607054201 /nfs/dbraw/zinc/05/42/01/607054201.db2.gz NUGCJSXXJYGZHZ-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821394780 607054202 /nfs/dbraw/zinc/05/42/02/607054202.db2.gz NUGCJSXXJYGZHZ-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1-c1ncco1 ZINC000822248839 607075138 /nfs/dbraw/zinc/07/51/38/607075138.db2.gz PTBJGCSZNBPYHL-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1-c1ncco1 ZINC000822248839 607075139 /nfs/dbraw/zinc/07/51/39/607075139.db2.gz PTBJGCSZNBPYHL-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820768020 607115963 /nfs/dbraw/zinc/11/59/63/607115963.db2.gz LEFXVCWVFCVZNA-BONVTDFDSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820768020 607115965 /nfs/dbraw/zinc/11/59/65/607115965.db2.gz LEFXVCWVFCVZNA-BONVTDFDSA-N -1 3 395.410 3.913 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937634 607153620 /nfs/dbraw/zinc/15/36/20/607153620.db2.gz AQVCEYRWOSXHND-KXBFYZLASA-N -1 3 385.512 3.904 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937634 607153621 /nfs/dbraw/zinc/15/36/21/607153621.db2.gz AQVCEYRWOSXHND-KXBFYZLASA-N -1 3 385.512 3.904 20 0 GHADHM CCCC1(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)CC1 ZINC000821028379 607154822 /nfs/dbraw/zinc/15/48/22/607154822.db2.gz UUZBTXPGTKVKAD-UHFFFAOYSA-N -1 3 378.436 3.881 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822240028 607189052 /nfs/dbraw/zinc/18/90/52/607189052.db2.gz OZKNYGJFARZUMA-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822240028 607189053 /nfs/dbraw/zinc/18/90/53/607189053.db2.gz OZKNYGJFARZUMA-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822986219 607189948 /nfs/dbraw/zinc/18/99/48/607189948.db2.gz AJPSIEIOQOEKES-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822986219 607189949 /nfs/dbraw/zinc/18/99/49/607189949.db2.gz AJPSIEIOQOEKES-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823253854 607197457 /nfs/dbraw/zinc/19/74/57/607197457.db2.gz MZQCLCBYMKRGIC-UHFFFAOYSA-N -1 3 378.823 3.995 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823253854 607197458 /nfs/dbraw/zinc/19/74/58/607197458.db2.gz MZQCLCBYMKRGIC-UHFFFAOYSA-N -1 3 378.823 3.995 20 0 GHADHM CCCOc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821134236 607199974 /nfs/dbraw/zinc/19/99/74/607199974.db2.gz PNCXSXRNESXSTA-UHFFFAOYSA-N -1 3 386.843 3.631 20 0 GHADHM CCCOc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821134236 607199975 /nfs/dbraw/zinc/19/99/75/607199975.db2.gz PNCXSXRNESXSTA-UHFFFAOYSA-N -1 3 386.843 3.631 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821849673 607200183 /nfs/dbraw/zinc/20/01/83/607200183.db2.gz OIDQRASGTFLWAE-MRXNPFEDSA-N -1 3 398.854 3.728 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821849673 607200184 /nfs/dbraw/zinc/20/01/84/607200184.db2.gz OIDQRASGTFLWAE-MRXNPFEDSA-N -1 3 398.854 3.728 20 0 GHADHM COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000821849948 607200813 /nfs/dbraw/zinc/20/08/13/607200813.db2.gz UBASPOAHVZXDMH-UHFFFAOYSA-N -1 3 398.854 3.509 20 0 GHADHM COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000821849948 607200814 /nfs/dbraw/zinc/20/08/14/607200814.db2.gz UBASPOAHVZXDMH-UHFFFAOYSA-N -1 3 398.854 3.509 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1ccc(F)cc1)C1CC1 ZINC000823313435 607201339 /nfs/dbraw/zinc/20/13/39/607201339.db2.gz AQRLLMVAWZQTNL-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1ccc(F)cc1)C1CC1 ZINC000823313435 607201340 /nfs/dbraw/zinc/20/13/40/607201340.db2.gz AQRLLMVAWZQTNL-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM Cc1cccc2c(CCNC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c21 ZINC000822332325 607202004 /nfs/dbraw/zinc/20/20/04/607202004.db2.gz ONPPTCDYCPKPIT-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1cccc2c(CCNC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c21 ZINC000822332325 607202005 /nfs/dbraw/zinc/20/20/05/607202005.db2.gz ONPPTCDYCPKPIT-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456172 607203526 /nfs/dbraw/zinc/20/35/26/607203526.db2.gz NXZFSLBYMRCLOO-UONOGXRCSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456172 607203527 /nfs/dbraw/zinc/20/35/27/607203527.db2.gz NXZFSLBYMRCLOO-UONOGXRCSA-N -1 3 380.905 3.706 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000821772732 607235647 /nfs/dbraw/zinc/23/56/47/607235647.db2.gz NKSLUHYYYQAZOB-UHFFFAOYSA-N -1 3 397.504 3.732 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000821772732 607235648 /nfs/dbraw/zinc/23/56/48/607235648.db2.gz NKSLUHYYYQAZOB-UHFFFAOYSA-N -1 3 397.504 3.732 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1sccc1-c1nnn[n-]1 ZINC000822958888 607236011 /nfs/dbraw/zinc/23/60/11/607236011.db2.gz LRKJBTXJUPTHAZ-UHFFFAOYSA-N -1 3 383.477 3.605 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1sccc1-c1nn[n-]n1 ZINC000822958888 607236012 /nfs/dbraw/zinc/23/60/12/607236012.db2.gz LRKJBTXJUPTHAZ-UHFFFAOYSA-N -1 3 383.477 3.605 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821000449 607237168 /nfs/dbraw/zinc/23/71/68/607237168.db2.gz FERFDENURYARCZ-MRXNPFEDSA-N -1 3 397.504 3.622 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821000449 607237169 /nfs/dbraw/zinc/23/71/69/607237169.db2.gz FERFDENURYARCZ-MRXNPFEDSA-N -1 3 397.504 3.622 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)(F)F)c1F ZINC000823318335 607241913 /nfs/dbraw/zinc/24/19/13/607241913.db2.gz CHHQJGWKRHKZNH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)(F)F)c1F ZINC000823318335 607241914 /nfs/dbraw/zinc/24/19/14/607241914.db2.gz CHHQJGWKRHKZNH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823115493 607242601 /nfs/dbraw/zinc/24/26/01/607242601.db2.gz PNWSCARADDVTSF-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823115493 607242602 /nfs/dbraw/zinc/24/26/02/607242602.db2.gz PNWSCARADDVTSF-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cs2)c1 ZINC000822284388 607248962 /nfs/dbraw/zinc/24/89/62/607248962.db2.gz QVWZKZGOEYWPLK-UHFFFAOYSA-N -1 3 395.419 3.586 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cs2)c1 ZINC000822284388 607248963 /nfs/dbraw/zinc/24/89/63/607248963.db2.gz QVWZKZGOEYWPLK-UHFFFAOYSA-N -1 3 395.419 3.586 20 0 GHADHM Cc1ncc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000826330242 607774016 /nfs/dbraw/zinc/77/40/16/607774016.db2.gz LLMNELUSRQFDMC-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000826330242 607774017 /nfs/dbraw/zinc/77/40/17/607774017.db2.gz LLMNELUSRQFDMC-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000825544574 607784479 /nfs/dbraw/zinc/78/44/79/607784479.db2.gz CVHONLLGLPLAGJ-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000825544574 607784480 /nfs/dbraw/zinc/78/44/80/607784480.db2.gz CVHONLLGLPLAGJ-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000824039368 607786024 /nfs/dbraw/zinc/78/60/24/607786024.db2.gz DYATYSRYJUEIQB-NSHDSACASA-N -1 3 375.354 3.652 20 0 GHADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000824039368 607786025 /nfs/dbraw/zinc/78/60/25/607786025.db2.gz DYATYSRYJUEIQB-NSHDSACASA-N -1 3 375.354 3.652 20 0 GHADHM O=C(NCCC1=CCCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826436232 607795267 /nfs/dbraw/zinc/79/52/67/607795267.db2.gz MRRDHLKWBCQYGF-UHFFFAOYSA-N -1 3 389.459 3.676 20 0 GHADHM O=C(NCCC1=CCCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826436232 607795268 /nfs/dbraw/zinc/79/52/68/607795268.db2.gz MRRDHLKWBCQYGF-UHFFFAOYSA-N -1 3 389.459 3.676 20 0 GHADHM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820635 607795910 /nfs/dbraw/zinc/79/59/10/607795910.db2.gz NHGIYYGJIRPTCO-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820635 607795911 /nfs/dbraw/zinc/79/59/11/607795911.db2.gz NHGIYYGJIRPTCO-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM C[C@@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000736156012 607800856 /nfs/dbraw/zinc/80/08/56/607800856.db2.gz RPPFIRUFGZQYIX-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000736156012 607800857 /nfs/dbraw/zinc/80/08/57/607800857.db2.gz RPPFIRUFGZQYIX-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826432324 607834763 /nfs/dbraw/zinc/83/47/63/607834763.db2.gz XRKWOHVVKKWXIH-AWEZNQCLSA-N -1 3 392.221 3.730 20 0 GHADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826432324 607834764 /nfs/dbraw/zinc/83/47/64/607834764.db2.gz XRKWOHVVKKWXIH-AWEZNQCLSA-N -1 3 392.221 3.730 20 0 GHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825668113 607835078 /nfs/dbraw/zinc/83/50/78/607835078.db2.gz BBXYBYSSFAZYQC-RYUDHWBXSA-N -1 3 386.308 3.578 20 0 GHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825668113 607835079 /nfs/dbraw/zinc/83/50/79/607835079.db2.gz BBXYBYSSFAZYQC-RYUDHWBXSA-N -1 3 386.308 3.578 20 0 GHADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)[C@@H]1COc2ccccc21 ZINC000824650597 607850239 /nfs/dbraw/zinc/85/02/39/607850239.db2.gz SLEZSIZKZQLYHG-BMIGLBTASA-N -1 3 394.385 3.670 20 0 GHADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[C@@H]1COc2ccccc21 ZINC000824650597 607850240 /nfs/dbraw/zinc/85/02/40/607850240.db2.gz SLEZSIZKZQLYHG-BMIGLBTASA-N -1 3 394.385 3.670 20 0 GHADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000826504556 607872944 /nfs/dbraw/zinc/87/29/44/607872944.db2.gz YTNVIXLWKAYQHO-CYBMUJFWSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000826504556 607872945 /nfs/dbraw/zinc/87/29/45/607872945.db2.gz YTNVIXLWKAYQHO-CYBMUJFWSA-N -1 3 398.772 3.521 20 0 GHADHM CCN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385928 607878962 /nfs/dbraw/zinc/87/89/62/607878962.db2.gz VRKBSHUGMHJZMA-UHFFFAOYSA-N -1 3 397.866 3.976 20 0 GHADHM CCN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385928 607878963 /nfs/dbraw/zinc/87/89/63/607878963.db2.gz VRKBSHUGMHJZMA-UHFFFAOYSA-N -1 3 397.866 3.976 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000824648644 607902649 /nfs/dbraw/zinc/90/26/49/607902649.db2.gz IAFYHUWFQIVOGM-GFVXYOJSSA-N -1 3 395.410 3.796 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000824852919 607917549 /nfs/dbraw/zinc/91/75/49/607917549.db2.gz TVENIRRGSBJBME-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000824852919 607917550 /nfs/dbraw/zinc/91/75/50/607917550.db2.gz TVENIRRGSBJBME-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CCn1c(=O)c2cc(F)ccc2nc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825796973 607932864 /nfs/dbraw/zinc/93/28/64/607932864.db2.gz RXMDTKKXNPSSQG-NSHDSACASA-N -1 3 396.451 3.589 20 0 GHADHM CCn1c(=O)c2cc(F)ccc2nc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825796973 607932865 /nfs/dbraw/zinc/93/28/65/607932865.db2.gz RXMDTKKXNPSSQG-NSHDSACASA-N -1 3 396.451 3.589 20 0 GHADHM CS[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826224359 607940198 /nfs/dbraw/zinc/94/01/98/607940198.db2.gz BHGCBVUVUYUADK-LLVKDONJSA-N -1 3 387.440 3.878 20 0 GHADHM CS[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826224359 607940199 /nfs/dbraw/zinc/94/01/99/607940199.db2.gz BHGCBVUVUYUADK-LLVKDONJSA-N -1 3 387.440 3.878 20 0 GHADHM Cc1sc(NC(=O)c2cccc(C)c2Br)c(-c2nnn[n-]2)c1C ZINC000826296166 607962662 /nfs/dbraw/zinc/96/26/62/607962662.db2.gz LOVUSUZXXWZXSK-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2cccc(C)c2Br)c(-c2nn[n-]n2)c1C ZINC000826296166 607962663 /nfs/dbraw/zinc/96/26/63/607962663.db2.gz LOVUSUZXXWZXSK-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337082 607965722 /nfs/dbraw/zinc/96/57/22/607965722.db2.gz BCTVXRKHRXZIFB-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337082 607965723 /nfs/dbraw/zinc/96/57/23/607965723.db2.gz BCTVXRKHRXZIFB-ABAIWWIYSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337549 607965959 /nfs/dbraw/zinc/96/59/59/607965959.db2.gz SMYXVSMFNHLVPX-BXUZGUMPSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337549 607965960 /nfs/dbraw/zinc/96/59/60/607965960.db2.gz SMYXVSMFNHLVPX-BXUZGUMPSA-N -1 3 387.488 3.949 20 0 GHADHM Clc1ccc(-c2nc(CCNc3ccc(-c4nnn[n-]4)cn3)cs2)cc1 ZINC000826351500 607968571 /nfs/dbraw/zinc/96/85/71/607968571.db2.gz OXCJKBQDNQLYAG-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM Clc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)cn3)cs2)cc1 ZINC000826351500 607968572 /nfs/dbraw/zinc/96/85/72/607968572.db2.gz OXCJKBQDNQLYAG-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM COc1ccc(CSCC(=O)c2c(C)[nH]c3ccccc32)cc1-c1nnn[n-]1 ZINC000826207397 607984381 /nfs/dbraw/zinc/98/43/81/607984381.db2.gz MOIRWRATNCQLJV-UHFFFAOYSA-N -1 3 393.472 3.781 20 0 GHADHM COc1ccc(CSCC(=O)c2c(C)[nH]c3ccccc32)cc1-c1nn[n-]n1 ZINC000826207397 607984382 /nfs/dbraw/zinc/98/43/82/607984382.db2.gz MOIRWRATNCQLJV-UHFFFAOYSA-N -1 3 393.472 3.781 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000825333293 607985220 /nfs/dbraw/zinc/98/52/20/607985220.db2.gz VKZXRLPDSNVWTN-UHFFFAOYSA-N -1 3 391.410 3.628 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273651 607989980 /nfs/dbraw/zinc/98/99/80/607989980.db2.gz OEHNPBKBCZEJPJ-GFCCVEGCSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273651 607989981 /nfs/dbraw/zinc/98/99/81/607989981.db2.gz OEHNPBKBCZEJPJ-GFCCVEGCSA-N -1 3 394.460 3.555 20 0 GHADHM C[C@H](S[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824754060 608015946 /nfs/dbraw/zinc/01/59/46/608015946.db2.gz HPVLERSNNBRGIQ-HNAYVOBHSA-N -1 3 393.516 3.852 20 0 GHADHM C[C@H](S[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824754060 608015947 /nfs/dbraw/zinc/01/59/47/608015947.db2.gz HPVLERSNNBRGIQ-HNAYVOBHSA-N -1 3 393.516 3.852 20 0 GHADHM COc1ccccc1[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC000826218717 608017308 /nfs/dbraw/zinc/01/73/08/608017308.db2.gz JGMYVENORQNWAC-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccccc1[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC000826218717 608017309 /nfs/dbraw/zinc/01/73/09/608017309.db2.gz JGMYVENORQNWAC-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000826185499 608027406 /nfs/dbraw/zinc/02/74/06/608027406.db2.gz LKLRKAHCWOHGIV-UHFFFAOYSA-N -1 3 399.401 3.604 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000826185499 608027407 /nfs/dbraw/zinc/02/74/07/608027407.db2.gz LKLRKAHCWOHGIV-UHFFFAOYSA-N -1 3 399.401 3.604 20 0 GHADHM CC(C)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824309901 608051155 /nfs/dbraw/zinc/05/11/55/608051155.db2.gz ZMOJVJUCCMBQLZ-UHFFFAOYSA-N -1 3 380.290 3.777 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824954024 608057129 /nfs/dbraw/zinc/05/71/29/608057129.db2.gz IXFJTVOJNUPXBG-LBPRGKRZSA-N -1 3 383.839 3.794 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824954024 608057130 /nfs/dbraw/zinc/05/71/30/608057130.db2.gz IXFJTVOJNUPXBG-LBPRGKRZSA-N -1 3 383.839 3.794 20 0 GHADHM COc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1F ZINC000826214712 608061542 /nfs/dbraw/zinc/06/15/42/608061542.db2.gz VAAUQWIVNAWTHE-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM COc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1F ZINC000826214712 608061543 /nfs/dbraw/zinc/06/15/43/608061543.db2.gz VAAUQWIVNAWTHE-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM Cc1c2c(nc(SCc3ccc(-n4cccn4)cc3)c1-c1nnn[n-]1)CCC2 ZINC000826243134 608074238 /nfs/dbraw/zinc/07/42/38/608074238.db2.gz WADOGIXZIXODBC-UHFFFAOYSA-N -1 3 389.488 3.537 20 0 GHADHM Cc1c2c(nc(SCc3ccc(-n4cccn4)cc3)c1-c1nn[n-]n1)CCC2 ZINC000826243134 608074239 /nfs/dbraw/zinc/07/42/39/608074239.db2.gz WADOGIXZIXODBC-UHFFFAOYSA-N -1 3 389.488 3.537 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825080543 608106323 /nfs/dbraw/zinc/10/63/23/608106323.db2.gz AFQBVACBBXKANQ-CYBMUJFWSA-N -1 3 394.483 3.576 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825080543 608106324 /nfs/dbraw/zinc/10/63/24/608106324.db2.gz AFQBVACBBXKANQ-CYBMUJFWSA-N -1 3 394.483 3.576 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1cc(C)ccc1C ZINC000825796806 608109258 /nfs/dbraw/zinc/10/92/58/608109258.db2.gz OVAQXHZGBKBHJB-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1cc(C)ccc1C ZINC000825796806 608109259 /nfs/dbraw/zinc/10/92/59/608109259.db2.gz OVAQXHZGBKBHJB-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826475886 608130878 /nfs/dbraw/zinc/13/08/78/608130878.db2.gz VBCWKZUQNFRBGP-NSHDSACASA-N -1 3 393.394 3.577 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826475886 608130879 /nfs/dbraw/zinc/13/08/79/608130879.db2.gz VBCWKZUQNFRBGP-NSHDSACASA-N -1 3 393.394 3.577 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000824077637 608131101 /nfs/dbraw/zinc/13/11/01/608131101.db2.gz CEJHNLSRHYCCTO-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000824077637 608131102 /nfs/dbraw/zinc/13/11/02/608131102.db2.gz CEJHNLSRHYCCTO-CQSZACIVSA-N -1 3 395.463 3.547 20 0 GHADHM O=C(OCCCc1ccccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826463563 608147349 /nfs/dbraw/zinc/14/73/49/608147349.db2.gz KMHZJLQNUGXTNK-UHFFFAOYSA-N -1 3 378.766 3.588 20 0 GHADHM O=C(OCCCc1ccccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826463563 608147350 /nfs/dbraw/zinc/14/73/50/608147350.db2.gz KMHZJLQNUGXTNK-UHFFFAOYSA-N -1 3 378.766 3.588 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077635 608149054 /nfs/dbraw/zinc/14/90/54/608149054.db2.gz CDBOQVFLWBNPQZ-XHDPSFHLSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077635 608149056 /nfs/dbraw/zinc/14/90/56/608149056.db2.gz CDBOQVFLWBNPQZ-XHDPSFHLSA-N -1 3 388.422 3.699 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccccc2OC)c1-c1nnn[n-]1 ZINC000825687563 608156131 /nfs/dbraw/zinc/15/61/31/608156131.db2.gz JGYDWWOMXLMGID-UHFFFAOYSA-N -1 3 389.506 3.538 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccccc2OC)c1-c1nn[n-]n1 ZINC000825687563 608156132 /nfs/dbraw/zinc/15/61/32/608156132.db2.gz JGYDWWOMXLMGID-UHFFFAOYSA-N -1 3 389.506 3.538 20 0 GHADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824722181 608186670 /nfs/dbraw/zinc/18/66/70/608186670.db2.gz HMWXGRRQZNBBBL-AWEZNQCLSA-N -1 3 378.432 3.506 20 0 GHADHM C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824722181 608186672 /nfs/dbraw/zinc/18/66/72/608186672.db2.gz HMWXGRRQZNBBBL-AWEZNQCLSA-N -1 3 378.432 3.506 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N(C)Cc1ccccc1 ZINC000824757368 608205915 /nfs/dbraw/zinc/20/59/15/608205915.db2.gz VQIZPFJSOQDGRH-GFCCVEGCSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N(C)Cc1ccccc1 ZINC000824757368 608205916 /nfs/dbraw/zinc/20/59/16/608205916.db2.gz VQIZPFJSOQDGRH-GFCCVEGCSA-N -1 3 387.896 3.659 20 0 GHADHM Fc1cccc(OC(F)F)c1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826377562 608230620 /nfs/dbraw/zinc/23/06/20/608230620.db2.gz WXVOJLLJRFOVMN-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM Fc1cccc(OC(F)F)c1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826377562 608230621 /nfs/dbraw/zinc/23/06/21/608230621.db2.gz WXVOJLLJRFOVMN-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM C[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1nc(-c2ccccc2)no1 ZINC000824434366 608234412 /nfs/dbraw/zinc/23/44/12/608234412.db2.gz JDPLVJATAQAPIF-CYBMUJFWSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1nc(-c2ccccc2)no1 ZINC000824434366 608234413 /nfs/dbraw/zinc/23/44/13/608234413.db2.gz JDPLVJATAQAPIF-CYBMUJFWSA-N -1 3 398.430 3.681 20 0 GHADHM OC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000826508051 608240600 /nfs/dbraw/zinc/24/06/00/608240600.db2.gz CBPXTPMSGAQMQD-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000826508051 608240602 /nfs/dbraw/zinc/24/06/02/608240602.db2.gz CBPXTPMSGAQMQD-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826278278 608274682 /nfs/dbraw/zinc/27/46/82/608274682.db2.gz WNWVUFFIZFELKU-HNNXBMFYSA-N -1 3 392.246 3.544 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826278278 608274684 /nfs/dbraw/zinc/27/46/84/608274684.db2.gz WNWVUFFIZFELKU-HNNXBMFYSA-N -1 3 392.246 3.544 20 0 GHADHM COc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)c(OC2CCCC2)c1 ZINC000826204496 608293433 /nfs/dbraw/zinc/29/34/33/608293433.db2.gz NIAONCFOSSGSFV-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM COc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000826204496 608293435 /nfs/dbraw/zinc/29/34/35/608293435.db2.gz NIAONCFOSSGSFV-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM CCN(C(=O)Cc1c(C)cc(C)cc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376255 608299070 /nfs/dbraw/zinc/29/90/70/608299070.db2.gz DVGSCNURWSRFSC-QGZVFWFLSA-N -1 3 377.492 3.944 20 0 GHADHM CCN(C(=O)Cc1c(C)cc(C)cc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376255 608299071 /nfs/dbraw/zinc/29/90/71/608299071.db2.gz DVGSCNURWSRFSC-QGZVFWFLSA-N -1 3 377.492 3.944 20 0 GHADHM Cc1cc(C)c(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826263208 608321911 /nfs/dbraw/zinc/32/19/11/608321911.db2.gz PQCCKKZKBCDSDB-UHFFFAOYSA-N -1 3 387.487 3.650 20 0 GHADHM Cc1cc(C)c(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1 ZINC000826263208 608321912 /nfs/dbraw/zinc/32/19/12/608321912.db2.gz PQCCKKZKBCDSDB-UHFFFAOYSA-N -1 3 387.487 3.650 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000826441113 608328730 /nfs/dbraw/zinc/32/87/30/608328730.db2.gz OIOLEDQSMUQGMH-JOCHJYFZSA-N -1 3 395.466 3.880 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000826441113 608328731 /nfs/dbraw/zinc/32/87/31/608328731.db2.gz OIOLEDQSMUQGMH-JOCHJYFZSA-N -1 3 395.466 3.880 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376229 608345724 /nfs/dbraw/zinc/34/57/24/608345724.db2.gz DNHILWVUPVNFPQ-UHFFFAOYSA-N -1 3 398.829 3.736 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376229 608345727 /nfs/dbraw/zinc/34/57/27/608345727.db2.gz DNHILWVUPVNFPQ-UHFFFAOYSA-N -1 3 398.829 3.736 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824103653 608409144 /nfs/dbraw/zinc/40/91/44/608409144.db2.gz FUKLWOCJESKZHJ-UHFFFAOYSA-N -1 3 389.525 3.747 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824103653 608409145 /nfs/dbraw/zinc/40/91/45/608409145.db2.gz FUKLWOCJESKZHJ-UHFFFAOYSA-N -1 3 389.525 3.747 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824119611 608454089 /nfs/dbraw/zinc/45/40/89/608454089.db2.gz MAOLEJQYSWJECS-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000824119611 608454091 /nfs/dbraw/zinc/45/40/91/608454091.db2.gz MAOLEJQYSWJECS-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000539373434 608458875 /nfs/dbraw/zinc/45/88/75/608458875.db2.gz FANSZMQAZBNAPP-UHFFFAOYSA-N -1 3 382.493 3.609 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000539373434 608458876 /nfs/dbraw/zinc/45/88/76/608458876.db2.gz FANSZMQAZBNAPP-UHFFFAOYSA-N -1 3 382.493 3.609 20 0 GHADHM Cn1ccc2c1cccc2NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826363635 608471531 /nfs/dbraw/zinc/47/15/31/608471531.db2.gz VSGRPGKKFXTDKJ-UHFFFAOYSA-N -1 3 399.458 3.680 20 0 GHADHM Cn1ccc2c1cccc2NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826363635 608471532 /nfs/dbraw/zinc/47/15/32/608471532.db2.gz VSGRPGKKFXTDKJ-UHFFFAOYSA-N -1 3 399.458 3.680 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000824633211 608471738 /nfs/dbraw/zinc/47/17/38/608471738.db2.gz HYEJNKCGKDVIKS-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000824633211 608471740 /nfs/dbraw/zinc/47/17/40/608471740.db2.gz HYEJNKCGKDVIKS-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM CCc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000825712655 608474108 /nfs/dbraw/zinc/47/41/08/608474108.db2.gz UEJJTKHJMITZGR-UHFFFAOYSA-N -1 3 392.438 3.889 20 0 GHADHM CCc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000825712655 608474110 /nfs/dbraw/zinc/47/41/10/608474110.db2.gz UEJJTKHJMITZGR-UHFFFAOYSA-N -1 3 392.438 3.889 20 0 GHADHM O=C(CCc1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409212 608481025 /nfs/dbraw/zinc/48/10/25/608481025.db2.gz NEIDMMSCGZZATH-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM O=C(CCc1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409212 608481027 /nfs/dbraw/zinc/48/10/27/608481027.db2.gz NEIDMMSCGZZATH-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824532891 608492084 /nfs/dbraw/zinc/49/20/84/608492084.db2.gz XSPOHKNHQRTSPI-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[C@H]1C ZINC000824938613 608597437 /nfs/dbraw/zinc/59/74/37/608597437.db2.gz VWNZXECNCBGIIL-KGLIPLIRSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[C@H]1C ZINC000824938613 608597439 /nfs/dbraw/zinc/59/74/39/608597439.db2.gz VWNZXECNCBGIIL-KGLIPLIRSA-N -1 3 393.451 3.706 20 0 GHADHM CC(C)[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000824206686 608671529 /nfs/dbraw/zinc/67/15/29/608671529.db2.gz GNDIGBXSHRVQPQ-INIZCTEOSA-N -1 3 394.328 3.977 20 0 GHADHM CC(C)[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000824206686 608671531 /nfs/dbraw/zinc/67/15/31/608671531.db2.gz GNDIGBXSHRVQPQ-INIZCTEOSA-N -1 3 394.328 3.977 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826402106 608822229 /nfs/dbraw/zinc/82/22/29/608822229.db2.gz MYRNLQWOKGDABX-RXQFDZFGSA-N -1 3 389.440 3.669 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826402106 608822232 /nfs/dbraw/zinc/82/22/32/608822232.db2.gz MYRNLQWOKGDABX-RXQFDZFGSA-N -1 3 389.440 3.669 20 0 GHADHM c1cc(-c2ccccc2)oc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826519261 608852181 /nfs/dbraw/zinc/85/21/81/608852181.db2.gz QRRBSCDKSVCRMT-NRFANRHFSA-N -1 3 387.443 3.700 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2cccc(Cl)c2n1 ZINC000826408894 609139802 /nfs/dbraw/zinc/13/98/02/609139802.db2.gz ZBRSDLUOMFHGPN-UHFFFAOYSA-N -1 3 378.823 3.640 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2cccc(Cl)c2n1 ZINC000826408894 609139803 /nfs/dbraw/zinc/13/98/03/609139803.db2.gz ZBRSDLUOMFHGPN-UHFFFAOYSA-N -1 3 378.823 3.640 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826281033 609153702 /nfs/dbraw/zinc/15/37/02/609153702.db2.gz AGOWCOAWGSKVHI-UHFFFAOYSA-N -1 3 384.823 3.535 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826281033 609153704 /nfs/dbraw/zinc/15/37/04/609153704.db2.gz AGOWCOAWGSKVHI-UHFFFAOYSA-N -1 3 384.823 3.535 20 0 GHADHM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662485 609175771 /nfs/dbraw/zinc/17/57/71/609175771.db2.gz LLIUAAZMNCMDMU-ZDUSSCGKSA-N -1 3 380.427 3.696 20 0 GHADHM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662485 609175773 /nfs/dbraw/zinc/17/57/73/609175773.db2.gz LLIUAAZMNCMDMU-ZDUSSCGKSA-N -1 3 380.427 3.696 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2cccs2)oc1C ZINC000825480773 609179089 /nfs/dbraw/zinc/17/90/89/609179089.db2.gz JZMVGHAOORZMSH-UHFFFAOYSA-N -1 3 381.465 3.936 20 0 GHADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826162797 609180578 /nfs/dbraw/zinc/18/05/78/609180578.db2.gz SHUSLOGKDIKLAO-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826162797 609180579 /nfs/dbraw/zinc/18/05/79/609180579.db2.gz SHUSLOGKDIKLAO-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(C)C)c1 ZINC000824347578 609195628 /nfs/dbraw/zinc/19/56/28/609195628.db2.gz DXSYXPVBDGIHMV-LJQANCHMSA-N -1 3 379.464 3.786 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(C)C)c1 ZINC000824347578 609195629 /nfs/dbraw/zinc/19/56/29/609195629.db2.gz DXSYXPVBDGIHMV-LJQANCHMSA-N -1 3 379.464 3.786 20 0 GHADHM CCOc1c(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)nn1CC(C)C ZINC000825603749 609199411 /nfs/dbraw/zinc/19/94/11/609199411.db2.gz AXBPHFRYGCHZTJ-UHFFFAOYSA-N -1 3 389.891 3.692 20 0 GHADHM CCOc1c(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)nn1CC(C)C ZINC000825603749 609199412 /nfs/dbraw/zinc/19/94/12/609199412.db2.gz AXBPHFRYGCHZTJ-UHFFFAOYSA-N -1 3 389.891 3.692 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379633 609236963 /nfs/dbraw/zinc/23/69/63/609236963.db2.gz JAPZXUIYVROCFZ-LBPRGKRZSA-N -1 3 399.886 3.663 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379633 609236965 /nfs/dbraw/zinc/23/69/65/609236965.db2.gz JAPZXUIYVROCFZ-LBPRGKRZSA-N -1 3 399.886 3.663 20 0 GHADHM c1cc(O[C@@H]2CCOC2)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517878 609238213 /nfs/dbraw/zinc/23/82/13/609238213.db2.gz ROKHZRFOTDVOCE-UYAOXDASSA-N -1 3 377.448 3.524 20 0 GHADHM c1cc(O[C@@H]2CCOC2)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517878 609238214 /nfs/dbraw/zinc/23/82/14/609238214.db2.gz ROKHZRFOTDVOCE-UYAOXDASSA-N -1 3 377.448 3.524 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825267322 609240413 /nfs/dbraw/zinc/24/04/13/609240413.db2.gz KQHAAGQXZFPWKA-BEFAXECRSA-N -1 3 384.528 3.599 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825267322 609240414 /nfs/dbraw/zinc/24/04/14/609240414.db2.gz KQHAAGQXZFPWKA-BEFAXECRSA-N -1 3 384.528 3.599 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(Oc2cccnc2)c1 ZINC000826408872 609257858 /nfs/dbraw/zinc/25/78/58/609257858.db2.gz YGQUOOCPBVBXQY-UHFFFAOYSA-N -1 3 387.399 3.592 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Oc2cccnc2)c1 ZINC000826408872 609257859 /nfs/dbraw/zinc/25/78/59/609257859.db2.gz YGQUOOCPBVBXQY-UHFFFAOYSA-N -1 3 387.399 3.592 20 0 GHADHM CC1(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCCCC1 ZINC000824776439 609279768 /nfs/dbraw/zinc/27/97/68/609279768.db2.gz ARKNLTNGMHMPJC-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM Cc1nc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328564 609287803 /nfs/dbraw/zinc/28/78/03/609287803.db2.gz WDCBKYJCNIORKR-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM Cc1nc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328564 609287805 /nfs/dbraw/zinc/28/78/05/609287805.db2.gz WDCBKYJCNIORKR-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000826472913 609291177 /nfs/dbraw/zinc/29/11/77/609291177.db2.gz CCYFFXCGTBKRHK-HNNXBMFYSA-N -1 3 381.867 3.930 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000826472913 609291179 /nfs/dbraw/zinc/29/11/79/609291179.db2.gz CCYFFXCGTBKRHK-HNNXBMFYSA-N -1 3 381.867 3.930 20 0 GHADHM Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000539790886 609302080 /nfs/dbraw/zinc/30/20/80/609302080.db2.gz DJXKHRJKMGTHAB-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000539790886 609302081 /nfs/dbraw/zinc/30/20/81/609302081.db2.gz DJXKHRJKMGTHAB-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c2ccccc2sc1C(=O)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826337037 609307101 /nfs/dbraw/zinc/30/71/01/609307101.db2.gz ZKFITPAFQGNKCW-UHFFFAOYSA-N -1 3 396.501 3.772 20 0 GHADHM Cc1c2ccccc2sc1C(=O)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826337037 609307103 /nfs/dbraw/zinc/30/71/03/609307103.db2.gz ZKFITPAFQGNKCW-UHFFFAOYSA-N -1 3 396.501 3.772 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1Cn1cc(-c2ccccc2)cn1 ZINC000823821225 609310018 /nfs/dbraw/zinc/31/00/18/609310018.db2.gz PPZCJGUQNMYHLO-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1Cn1cc(-c2ccccc2)cn1 ZINC000823821225 609310019 /nfs/dbraw/zinc/31/00/19/609310019.db2.gz PPZCJGUQNMYHLO-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM O[C@@H](CSCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000826505450 609310222 /nfs/dbraw/zinc/31/02/22/609310222.db2.gz VYXPHSJSJJUFFV-HNNXBMFYSA-N -1 3 391.294 3.596 20 0 GHADHM O[C@@H](CSCc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826505450 609310223 /nfs/dbraw/zinc/31/02/23/609310223.db2.gz VYXPHSJSJJUFFV-HNNXBMFYSA-N -1 3 391.294 3.596 20 0 GHADHM COc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826220907 609311611 /nfs/dbraw/zinc/31/16/11/609311611.db2.gz GJPJWYQUPNJMEU-UHFFFAOYSA-N -1 3 377.267 3.930 20 0 GHADHM COc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826220907 609311613 /nfs/dbraw/zinc/31/16/13/609311613.db2.gz GJPJWYQUPNJMEU-UHFFFAOYSA-N -1 3 377.267 3.930 20 0 GHADHM O=C(Nc1ccc2n[nH]cc2c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826455259 609311859 /nfs/dbraw/zinc/31/18/59/609311859.db2.gz GQKIAAYUDARJOE-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc2n[nH]cc2c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826455259 609311860 /nfs/dbraw/zinc/31/18/60/609311860.db2.gz GQKIAAYUDARJOE-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825076112 609312512 /nfs/dbraw/zinc/31/25/12/609312512.db2.gz SVSXTEDCAVILRT-ZFWWWQNUSA-N -1 3 381.484 3.566 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825076112 609312513 /nfs/dbraw/zinc/31/25/13/609312513.db2.gz SVSXTEDCAVILRT-ZFWWWQNUSA-N -1 3 381.484 3.566 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825076110 609312545 /nfs/dbraw/zinc/31/25/45/609312545.db2.gz SVSXTEDCAVILRT-HIFRSBDPSA-N -1 3 381.484 3.566 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825076110 609312546 /nfs/dbraw/zinc/31/25/46/609312546.db2.gz SVSXTEDCAVILRT-HIFRSBDPSA-N -1 3 381.484 3.566 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825986021 609314412 /nfs/dbraw/zinc/31/44/12/609314412.db2.gz KVCGNAUBQKRIDM-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825986021 609314414 /nfs/dbraw/zinc/31/44/14/609314414.db2.gz KVCGNAUBQKRIDM-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM Fc1cccc2c1OCCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826377683 609324367 /nfs/dbraw/zinc/32/43/67/609324367.db2.gz BGCKBQKUNQVEHK-GFCCVEGCSA-N -1 3 394.332 3.745 20 0 GHADHM Fc1cccc2c1OCCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826377683 609324369 /nfs/dbraw/zinc/32/43/69/609324369.db2.gz BGCKBQKUNQVEHK-GFCCVEGCSA-N -1 3 394.332 3.745 20 0 GHADHM CCc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000825734574 609325506 /nfs/dbraw/zinc/32/55/06/609325506.db2.gz LEGANPPIHOHCID-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000825734574 609325508 /nfs/dbraw/zinc/32/55/08/609325508.db2.gz LEGANPPIHOHCID-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCS[C@@H](C)c1nc2ccccc2o1 ZINC000826176513 609331419 /nfs/dbraw/zinc/33/14/19/609331419.db2.gz SLBFQDOMHQOKKM-LBPRGKRZSA-N -1 3 397.460 3.890 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCS[C@@H](C)c1nc2ccccc2o1 ZINC000826176513 609331421 /nfs/dbraw/zinc/33/14/21/609331421.db2.gz SLBFQDOMHQOKKM-LBPRGKRZSA-N -1 3 397.460 3.890 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)c1cccs1 ZINC000824051917 609345965 /nfs/dbraw/zinc/34/59/65/609345965.db2.gz IFZNRHZGUCBKEV-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)c1cccs1 ZINC000824051917 609345966 /nfs/dbraw/zinc/34/59/66/609345966.db2.gz IFZNRHZGUCBKEV-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824655917 609348750 /nfs/dbraw/zinc/34/87/50/609348750.db2.gz GTMQACQZBHXSCR-SVIJTADQSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824655917 609348753 /nfs/dbraw/zinc/34/87/53/609348753.db2.gz GTMQACQZBHXSCR-SVIJTADQSA-N -1 3 397.454 3.861 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccs1)C1CC1 ZINC000823821077 609355285 /nfs/dbraw/zinc/35/52/85/609355285.db2.gz ONODDPZNNOUMFZ-UHFFFAOYSA-N -1 3 390.310 3.855 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccs1)C1CC1 ZINC000823821077 609355289 /nfs/dbraw/zinc/35/52/89/609355289.db2.gz ONODDPZNNOUMFZ-UHFFFAOYSA-N -1 3 390.310 3.855 20 0 GHADHM Cc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826287961 609360130 /nfs/dbraw/zinc/36/01/30/609360130.db2.gz KUNJHFDZQVVVEH-UHFFFAOYSA-N -1 3 378.299 3.631 20 0 GHADHM Cc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826287961 609360131 /nfs/dbraw/zinc/36/01/31/609360131.db2.gz KUNJHFDZQVVVEH-UHFFFAOYSA-N -1 3 378.299 3.631 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249842 609374841 /nfs/dbraw/zinc/37/48/41/609374841.db2.gz VSQQYTBTHYWEGT-APWZRJJASA-N -1 3 385.512 3.697 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249842 609374843 /nfs/dbraw/zinc/37/48/43/609374843.db2.gz VSQQYTBTHYWEGT-APWZRJJASA-N -1 3 385.512 3.697 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000826372151 609388599 /nfs/dbraw/zinc/38/85/99/609388599.db2.gz JTNZYMBSGBXXHC-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825184255 609396798 /nfs/dbraw/zinc/39/67/98/609396798.db2.gz ROWYPOLXERAWEI-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825184255 609396801 /nfs/dbraw/zinc/39/68/01/609396801.db2.gz ROWYPOLXERAWEI-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM COc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826180684 609410573 /nfs/dbraw/zinc/41/05/73/609410573.db2.gz SCASIIXBDQXDIX-UHFFFAOYSA-N -1 3 398.492 3.816 20 0 GHADHM COc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826180684 609410575 /nfs/dbraw/zinc/41/05/75/609410575.db2.gz SCASIIXBDQXDIX-UHFFFAOYSA-N -1 3 398.492 3.816 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457146 609424122 /nfs/dbraw/zinc/42/41/22/609424122.db2.gz NOTCFSDMZWYDKA-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457146 609424123 /nfs/dbraw/zinc/42/41/23/609424123.db2.gz NOTCFSDMZWYDKA-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)n1 ZINC000825739337 609425510 /nfs/dbraw/zinc/42/55/10/609425510.db2.gz CYWSJDAOAPRMLO-SNVBAGLBSA-N -1 3 376.436 3.548 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)n1 ZINC000825739337 609425512 /nfs/dbraw/zinc/42/55/12/609425512.db2.gz CYWSJDAOAPRMLO-SNVBAGLBSA-N -1 3 376.436 3.548 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824249900 609449935 /nfs/dbraw/zinc/44/99/35/609449935.db2.gz WONKCEKCCPWYMX-JTQLQIEISA-N -1 3 387.431 3.528 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824249900 609449938 /nfs/dbraw/zinc/44/99/38/609449938.db2.gz WONKCEKCCPWYMX-JTQLQIEISA-N -1 3 387.431 3.528 20 0 GHADHM CC(C)CN(C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000824248958 609450005 /nfs/dbraw/zinc/45/00/05/609450005.db2.gz FJNVMWHXYOEFLF-UHFFFAOYSA-N -1 3 399.442 3.625 20 0 GHADHM CC(C)CN(C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000824248958 609450007 /nfs/dbraw/zinc/45/00/07/609450007.db2.gz FJNVMWHXYOEFLF-UHFFFAOYSA-N -1 3 399.442 3.625 20 0 GHADHM Cn1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)c1 ZINC000826363681 609484408 /nfs/dbraw/zinc/48/44/08/609484408.db2.gz XISGLNLWAWZELS-UHFFFAOYSA-N -1 3 378.411 3.535 20 0 GHADHM Cn1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)c1 ZINC000826363681 609484411 /nfs/dbraw/zinc/48/44/11/609484411.db2.gz XISGLNLWAWZELS-UHFFFAOYSA-N -1 3 378.411 3.535 20 0 GHADHM Cc1cc(F)ccc1CSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826268669 609490954 /nfs/dbraw/zinc/49/09/54/609490954.db2.gz IICKXAAZPUDLLZ-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1cc(F)ccc1CSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826268669 609490957 /nfs/dbraw/zinc/49/09/57/609490957.db2.gz IICKXAAZPUDLLZ-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM CCn1c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000825787281 609491580 /nfs/dbraw/zinc/49/15/80/609491580.db2.gz AIYCNHPPQCTXRA-UHFFFAOYSA-N -1 3 377.452 3.636 20 0 GHADHM CCn1c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000825787281 609491583 /nfs/dbraw/zinc/49/15/83/609491583.db2.gz AIYCNHPPQCTXRA-UHFFFAOYSA-N -1 3 377.452 3.636 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(OCc4cccc(-c5nnn[n-]5)c4)c23)C1 ZINC000824968479 609497191 /nfs/dbraw/zinc/49/71/91/609497191.db2.gz POJHFVGFFCTABU-LLVKDONJSA-N -1 3 378.461 3.575 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(OCc4cccc(-c5nn[n-]n5)c4)c23)C1 ZINC000824968479 609497193 /nfs/dbraw/zinc/49/71/93/609497193.db2.gz POJHFVGFFCTABU-LLVKDONJSA-N -1 3 378.461 3.575 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(F)(F)c1ccc(C)cc1 ZINC000825314227 609523703 /nfs/dbraw/zinc/52/37/03/609523703.db2.gz YXXUKOBZHKRHTQ-UHFFFAOYSA-N -1 3 385.418 3.706 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(F)(F)c1ccc(C)cc1 ZINC000825314227 609523706 /nfs/dbraw/zinc/52/37/06/609523706.db2.gz YXXUKOBZHKRHTQ-UHFFFAOYSA-N -1 3 385.418 3.706 20 0 GHADHM CO[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccccc1 ZINC000826166654 609532441 /nfs/dbraw/zinc/53/24/41/609532441.db2.gz VHKBVRLCIBZLFL-QGZVFWFLSA-N -1 3 397.504 3.913 20 0 GHADHM CO[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccccc1 ZINC000826166654 609532444 /nfs/dbraw/zinc/53/24/44/609532444.db2.gz VHKBVRLCIBZLFL-QGZVFWFLSA-N -1 3 397.504 3.913 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(OC3CCC(C)CC3)CC2)c1-c1nnn[n-]1 ZINC000826237679 609549863 /nfs/dbraw/zinc/54/98/63/609549863.db2.gz IGBNQTAFLSGNDY-UHFFFAOYSA-N -1 3 390.919 3.788 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(OC3CCC(C)CC3)CC2)c1-c1nn[n-]n1 ZINC000826237679 609549866 /nfs/dbraw/zinc/54/98/66/609549866.db2.gz IGBNQTAFLSGNDY-UHFFFAOYSA-N -1 3 390.919 3.788 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1-c1nnn[n-]1 ZINC000825688239 609555970 /nfs/dbraw/zinc/55/59/70/609555970.db2.gz ULAIBGKPFDYVLM-OAHLLOKOSA-N -1 3 397.504 3.945 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1-c1nn[n-]n1 ZINC000825688239 609555971 /nfs/dbraw/zinc/55/59/71/609555971.db2.gz ULAIBGKPFDYVLM-OAHLLOKOSA-N -1 3 397.504 3.945 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824907952 609576524 /nfs/dbraw/zinc/57/65/24/609576524.db2.gz LKQZZRCNRZEFRK-PSASIEDQSA-N -1 3 390.207 3.796 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238249 609580299 /nfs/dbraw/zinc/58/02/99/609580299.db2.gz AOLGPZNZUTYYOB-CJNGLKHVSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238249 609580301 /nfs/dbraw/zinc/58/03/01/609580301.db2.gz AOLGPZNZUTYYOB-CJNGLKHVSA-N -1 3 384.871 3.803 20 0 GHADHM CC1(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824830982 609592542 /nfs/dbraw/zinc/59/25/42/609592542.db2.gz NIZQPTUYVOYYIZ-UHFFFAOYSA-N -1 3 384.528 3.600 20 0 GHADHM CC1(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824830982 609592544 /nfs/dbraw/zinc/59/25/44/609592544.db2.gz NIZQPTUYVOYYIZ-UHFFFAOYSA-N -1 3 384.528 3.600 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Br)c1Cl ZINC000826468223 609596622 /nfs/dbraw/zinc/59/66/22/609596622.db2.gz GVCQJGUVDJHASJ-UHFFFAOYSA-N -1 3 397.591 3.641 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Br)c1Cl ZINC000826468223 609596624 /nfs/dbraw/zinc/59/66/24/609596624.db2.gz GVCQJGUVDJHASJ-UHFFFAOYSA-N -1 3 397.591 3.641 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824909316 609606585 /nfs/dbraw/zinc/60/65/85/609606585.db2.gz SUYDTSZEABGNJN-JQWIXIFHSA-N -1 3 399.421 3.618 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824909316 609606588 /nfs/dbraw/zinc/60/65/88/609606588.db2.gz SUYDTSZEABGNJN-JQWIXIFHSA-N -1 3 399.421 3.618 20 0 GHADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(F)cc2n[n-]nc21 ZINC000431767192 837389415 /nfs/dbraw/zinc/38/94/15/837389415.db2.gz WAJXJUJEJXRWJQ-AWEZNQCLSA-N -1 3 376.338 3.506 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000113443226 837467375 /nfs/dbraw/zinc/46/73/75/837467375.db2.gz RDEVQHUEMXYHBW-YKSBVNFPSA-N -1 3 392.499 3.577 20 0 GHADHM CSCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000136767131 837477445 /nfs/dbraw/zinc/47/74/45/837477445.db2.gz YHTZRGJMDGMEGP-UHFFFAOYSA-N -1 3 392.546 3.587 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)c(C)c1 ZINC000187074537 837551856 /nfs/dbraw/zinc/55/18/56/837551856.db2.gz ZYTZHGNELDXNPG-UHFFFAOYSA-N -1 3 384.501 3.793 20 0 GHADHM O=C(CCC(=O)c1ccc2ccccc2c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317664 837611070 /nfs/dbraw/zinc/61/10/70/837611070.db2.gz JLEDOGZZFMLLBV-UHFFFAOYSA-N -1 3 389.455 3.882 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)cc1 ZINC000414393961 837686537 /nfs/dbraw/zinc/68/65/37/837686537.db2.gz HKYRVKWVZFVOOA-UHFFFAOYSA-N -1 3 392.496 3.917 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COCCc2ccccc2)c1 ZINC000278264886 834421275 /nfs/dbraw/zinc/42/12/75/834421275.db2.gz UUYMHUNGNPOASQ-KRWDZBQOSA-N -1 3 392.377 3.823 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCc2c1cccc2Br ZINC000158823529 834559593 /nfs/dbraw/zinc/55/95/93/834559593.db2.gz ZOCQCVQLWDYOPW-HNNXBMFYSA-N -1 3 379.229 3.781 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000120120256 834562997 /nfs/dbraw/zinc/56/29/97/834562997.db2.gz NCSHRBXKIJWYKP-UHFFFAOYSA-N -1 3 383.408 3.593 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000096170949 834730074 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CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c(F)c1 ZINC000650109853 835071259 /nfs/dbraw/zinc/07/12/59/835071259.db2.gz SFYINJWAWZPFHY-FZMZJTMJSA-N -1 3 396.406 3.574 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000655145447 835288153 /nfs/dbraw/zinc/28/81/53/835288153.db2.gz UNBNASWPZLNBMX-UHFFFAOYSA-N -1 3 385.467 3.696 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc(-c2ccccn2)s1 ZINC000151521473 835486192 /nfs/dbraw/zinc/48/61/92/835486192.db2.gz DOAZSQXDRSWNIJ-UHFFFAOYSA-N -1 3 390.262 3.603 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123607004 835584137 /nfs/dbraw/zinc/58/41/37/835584137.db2.gz PMJITNWFOWIBHL-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123607004 835584142 /nfs/dbraw/zinc/58/41/42/835584142.db2.gz PMJITNWFOWIBHL-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@@H]2CCCC[C@H]21 ZINC000429948956 844084734 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Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000748095414 836506251 /nfs/dbraw/zinc/50/62/51/836506251.db2.gz LVBCBQVDWDMMAU-MRXNPFEDSA-N -1 3 397.500 3.569 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000462363111 836546105 /nfs/dbraw/zinc/54/61/05/836546105.db2.gz SBLWKPJVSWHZMZ-HOCLYGCPSA-N -1 3 395.322 3.534 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cc1 ZINC000052025331 844177951 /nfs/dbraw/zinc/17/79/51/844177951.db2.gz YXIQWKCMDGHUEB-UHFFFAOYSA-N -1 3 395.546 3.934 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000636115489 836714508 /nfs/dbraw/zinc/71/45/08/836714508.db2.gz QTHUVUITALCQFP-KBPBESRZSA-N -1 3 380.275 3.952 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCCc1nc(C)c(C(=O)[O-])s1 ZINC000276971747 844200293 /nfs/dbraw/zinc/20/02/93/844200293.db2.gz HEIAUYKXIATRCC-UHFFFAOYSA-N -1 3 390.896 3.630 20 0 GHADHM CN(CCCCCO)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000278800399 836782473 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C[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)c2ccccc2Cl)C2CC2)c(C)o1 ZINC000175844377 837019343 /nfs/dbraw/zinc/01/93/43/837019343.db2.gz NWNBXJZGFGTTSC-LLVKDONJSA-N -1 3 396.896 3.515 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C4CC4)c(C)c3)cc2C[C@@H]1C ZINC000547822537 837101876 /nfs/dbraw/zinc/10/18/76/837101876.db2.gz ZOOFOUUUBRZBPO-AWEZNQCLSA-N -1 3 384.501 3.971 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(F)cc1F ZINC000066306617 837123405 /nfs/dbraw/zinc/12/34/05/837123405.db2.gz HYMUBCNPMYRDQJ-UHFFFAOYSA-N -1 3 376.384 3.877 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000120674050 837123595 /nfs/dbraw/zinc/12/35/95/837123595.db2.gz DBPAUDLKDFVHPH-JKSUJKDBSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000120674050 837123607 /nfs/dbraw/zinc/12/36/07/837123607.db2.gz DBPAUDLKDFVHPH-JKSUJKDBSA-N -1 3 387.365 3.552 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Br)c(F)c1 ZINC000462457884 837178064 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COc1cc(C)c(S(=O)(=O)[N-]c2nccc(C)c2Br)c(C)c1 ZINC000576359808 844303740 /nfs/dbraw/zinc/30/37/40/844303740.db2.gz FUZVFCMTOBSECL-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000179194109 838307859 /nfs/dbraw/zinc/30/78/59/838307859.db2.gz WXUHRDWRHWDGFF-CYBMUJFWSA-N -1 3 376.815 3.676 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNCc3csc(C(C)(C)C)n3)c2)[n-]1 ZINC000589201903 838345084 /nfs/dbraw/zinc/34/50/84/838345084.db2.gz MBUAOSROXOEZCJ-UHFFFAOYSA-N -1 3 399.520 3.692 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNCc3csc(C(C)(C)C)n3)c2)n[n-]1 ZINC000589201903 838345090 /nfs/dbraw/zinc/34/50/90/838345090.db2.gz MBUAOSROXOEZCJ-UHFFFAOYSA-N -1 3 399.520 3.692 20 0 GHADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3csc(C(C)(C)C)n3)c2)n1 ZINC000589201903 838345098 /nfs/dbraw/zinc/34/50/98/838345098.db2.gz MBUAOSROXOEZCJ-UHFFFAOYSA-N -1 3 399.520 3.692 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000467087996 844323986 /nfs/dbraw/zinc/32/39/86/844323986.db2.gz COJGWNMGTBTRGO-ZDUSSCGKSA-N -1 3 388.489 3.894 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cc(I)ccc2[O-])s1 ZINC000589399845 838400108 /nfs/dbraw/zinc/40/01/08/838400108.db2.gz AFPFMZVDXQQDIY-UHFFFAOYSA-N -1 3 387.242 3.938 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@@H]1CN1CCOCC1 ZINC000179559850 838546633 /nfs/dbraw/zinc/54/66/33/838546633.db2.gz ZWNWEYUTVFZTJA-GOSISDBHSA-N -1 3 396.487 3.511 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000628083064 838580724 /nfs/dbraw/zinc/58/07/24/838580724.db2.gz PNERJDFQOBSOCX-OAHLLOKOSA-N -1 3 376.250 3.677 20 0 GHADHM CC(C)CCSc1ccc(C(=O)[N-]NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000017398369 838581799 /nfs/dbraw/zinc/58/17/99/838581799.db2.gz BPNVXFIRBYGOIU-UHFFFAOYSA-N -1 3 383.470 3.903 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(O)c1 ZINC000181765131 838636287 /nfs/dbraw/zinc/63/62/87/838636287.db2.gz BCJPCNJFZAPJRC-FQEVSTJZSA-N -1 3 376.412 3.598 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN4CC[C@H](C5CC5)C4)nc(=O)c3s2)cc1 ZINC000535726957 844350820 /nfs/dbraw/zinc/35/08/20/844350820.db2.gz ZKGLEDMIFUQOBU-HNNXBMFYSA-N -1 3 381.501 3.892 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182243224 838694214 /nfs/dbraw/zinc/69/42/14/838694214.db2.gz DYNAGNWLSGHVGC-OAHLLOKOSA-N -1 3 396.340 3.793 20 0 GHADHM O=C([O-])c1ccc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000414638161 838714030 /nfs/dbraw/zinc/71/40/30/838714030.db2.gz NIAUMEGIZVIWHZ-INIZCTEOSA-N -1 3 393.270 3.977 20 0 GHADHM CCCOc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)c(OC2CCCC2)c1 ZINC000893206987 838879201 /nfs/dbraw/zinc/87/92/01/838879201.db2.gz JYEJSKSLPOJZLM-UHFFFAOYSA-N -1 3 397.475 3.885 20 0 GHADHM Cc1csc(SCc2ccccc2C(=O)N2CCCc3c(=O)[n-]cnc32)n1 ZINC000893214144 838936062 /nfs/dbraw/zinc/93/60/62/838936062.db2.gz JRWYVUAWQRTFTJ-UHFFFAOYSA-N -1 3 398.513 3.832 20 0 GHADHM Cc1cccc([C@@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)c1C ZINC000431863792 838974953 /nfs/dbraw/zinc/97/49/53/838974953.db2.gz HJLCAQRLPTYDCC-INIZCTEOSA-N -1 3 389.249 3.565 20 0 GHADHM C[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000431871808 839165605 /nfs/dbraw/zinc/16/56/05/839165605.db2.gz RNOBTXOKOFRQBX-LBPRGKRZSA-N -1 3 389.249 3.680 20 0 GHADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1c(Cl)cccc1Br ZINC000416500782 839323939 /nfs/dbraw/zinc/32/39/39/839323939.db2.gz IIXOCSCHYUJGOA-UHFFFAOYSA-N -1 3 388.661 3.816 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1cccc(Br)c1C ZINC000656184223 839332963 /nfs/dbraw/zinc/33/29/63/839332963.db2.gz LVRDFUWKHIWNTE-UHFFFAOYSA-N -1 3 394.241 3.669 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C)cc1Cl ZINC000416520841 839357558 /nfs/dbraw/zinc/35/75/58/839357558.db2.gz XZPNKFYEVHJUFQ-MGPLVRAMSA-N -1 3 376.881 3.685 20 0 GHADHM COCCCC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccccc1 ZINC000684596901 844435355 /nfs/dbraw/zinc/43/53/55/844435355.db2.gz HULOLXXDSJKJOL-SFHVURJKSA-N -1 3 399.459 3.810 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1F ZINC000121193727 839380264 /nfs/dbraw/zinc/38/02/64/839380264.db2.gz QNZRZPXNQBIAFB-UHFFFAOYSA-N -1 3 392.452 3.906 20 0 GHADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cc([O-])ccc1Cl ZINC000548089151 839450563 /nfs/dbraw/zinc/45/05/63/839450563.db2.gz JHRANNFCMJZGEC-UHFFFAOYSA-N -1 3 381.741 3.924 20 0 GHADHM O=C([O-])c1nnn(C2CCN(Cc3ccc(C(F)F)cc3)CC2)c1C(F)F ZINC000634696034 839487656 /nfs/dbraw/zinc/48/76/56/839487656.db2.gz GXVPRLGCYHJWJG-UHFFFAOYSA-N -1 3 386.349 3.689 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000580407456 839504755 /nfs/dbraw/zinc/50/47/55/839504755.db2.gz ZVYXHCVBTNJRPL-UHFFFAOYSA-N -1 3 381.201 3.743 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000683937688 839561858 /nfs/dbraw/zinc/56/18/58/839561858.db2.gz LTKSKUWGCMPAQC-AWEZNQCLSA-N -1 3 397.777 3.912 20 0 GHADHM [O-]c1cc(Br)cnc1CNCc1ccnc(N2CCCCCC2)c1 ZINC000892945570 839572813 /nfs/dbraw/zinc/57/28/13/839572813.db2.gz BPFJBDMMMHSRMW-UHFFFAOYSA-N -1 3 391.313 3.615 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000564596779 839585279 /nfs/dbraw/zinc/58/52/79/839585279.db2.gz HMBSKKQJLBOTPQ-OAHLLOKOSA-N -1 3 399.925 3.575 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C[C@H]3CCCO3)C(F)(F)F)nc2)n1 ZINC000656224581 839603595 /nfs/dbraw/zinc/60/35/95/839603595.db2.gz MYGVCHTXJVUDPY-ZIAGYGMSSA-N -1 3 382.386 3.719 20 0 GHADHM Cc1nc(-c2ccc(N[C@H](C[C@@H]3CCCO3)C(F)(F)F)nc2)[n-]c(=O)c1C ZINC000656224455 839612328 /nfs/dbraw/zinc/61/23/28/839612328.db2.gz IYAWUXLXGINYRX-UONOGXRCSA-N -1 3 382.386 3.773 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3CCC(C)C)nc(=O)c2c1C ZINC000472814955 839842982 /nfs/dbraw/zinc/84/29/82/839842982.db2.gz PQZZRXXLPAPUMJ-CQSZACIVSA-N -1 3 391.537 3.870 20 0 GHADHM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)[N-]OCCC(F)(F)F ZINC000162710787 840198003 /nfs/dbraw/zinc/19/80/03/840198003.db2.gz KIMCTLLYBQZUQU-UHFFFAOYSA-N -1 3 389.805 3.994 20 0 GHADHM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000055632600 840215315 /nfs/dbraw/zinc/21/53/15/840215315.db2.gz HPKIPOWDRSNHID-UHFFFAOYSA-N -1 3 393.505 3.746 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2cc(C)ccc2F)[nH][n-]1 ZINC000487337875 840287204 /nfs/dbraw/zinc/28/72/04/840287204.db2.gz RBJRBTQGTHUJFD-UHFFFAOYSA-N -1 3 389.814 3.626 20 0 GHADHM Cc1nc(CS(=O)(=O)[N-]Cc2nc(C)c(-c3ccc(Cl)cc3)o2)cs1 ZINC000684104287 840394779 /nfs/dbraw/zinc/39/47/79/840394779.db2.gz MPMMJNQZTYYYQB-UHFFFAOYSA-N -1 3 397.909 3.688 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1OC ZINC000511710062 840542569 /nfs/dbraw/zinc/54/25/69/840542569.db2.gz IOVSDSLRGVZFLV-UHFFFAOYSA-N -1 3 379.478 3.738 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cccc2cccnc21 ZINC000610485908 840857387 /nfs/dbraw/zinc/85/73/87/840857387.db2.gz HUZTUKKOSIMWPR-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM Cc1cccc(C)c1NCC(=O)Nc1cc(I)ccc1[O-] ZINC000610491144 840967121 /nfs/dbraw/zinc/96/71/21/840967121.db2.gz UTZGKPBZGDDJKQ-UHFFFAOYSA-N -1 3 396.228 3.664 20 0 GHADHM COc1cccc([C@@H](C)C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610490943 840971614 /nfs/dbraw/zinc/97/16/14/840971614.db2.gz NNKBDQNLHAUATN-SNVBAGLBSA-N -1 3 397.212 3.748 20 0 GHADHM O=C(NNc1ccc(C(F)(F)F)cn1)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000188276570 841007885 /nfs/dbraw/zinc/00/78/85/841007885.db2.gz SGSVGLDSIBBPIE-UHFFFAOYSA-N -1 3 387.774 3.962 20 0 GHADHM O=C(NNc1ccc(C(F)(F)F)cn1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188276570 841007896 /nfs/dbraw/zinc/00/78/96/841007896.db2.gz SGSVGLDSIBBPIE-UHFFFAOYSA-N -1 3 387.774 3.962 20 0 GHADHM Cc1nn(C)c2ncc(CN[C@@H](CC(=O)[O-])c3cccc(C(F)(F)F)c3)cc12 ZINC000417577729 841020930 /nfs/dbraw/zinc/02/09/30/841020930.db2.gz JYHZWEYDTAIABF-INIZCTEOSA-N -1 3 392.381 3.601 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000473031006 841025450 /nfs/dbraw/zinc/02/54/50/841025450.db2.gz HAGJFPQOBBHDTF-FUHWJXTLSA-N -1 3 377.444 3.566 20 0 GHADHM CCCCNC(=O)[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050901465 841048895 /nfs/dbraw/zinc/04/88/95/841048895.db2.gz DNFLEKXMQUTRPT-KRWDZBQOSA-N -1 3 393.601 3.649 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cnc(-c2c(F)cccc2F)s1)C(F)(F)F ZINC000417618818 841059590 /nfs/dbraw/zinc/05/95/90/841059590.db2.gz DIJTZDXIDDEJRI-QMMMGPOBSA-N -1 3 380.338 3.831 20 0 GHADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000188362823 841066565 /nfs/dbraw/zinc/06/65/65/841066565.db2.gz MVOLLYQGMDCZIU-PGLQMZEQSA-N -1 3 395.890 3.904 20 0 GHADHM O=C([O-])C[C@H](CNCc1cc2ccccc2nc1N1CCCCC1)C(F)(F)F ZINC000417628280 841068771 /nfs/dbraw/zinc/06/87/71/841068771.db2.gz PBTVFILGPJCRLO-MRXNPFEDSA-N -1 3 395.425 3.968 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000417625415 841077221 /nfs/dbraw/zinc/07/72/21/841077221.db2.gz PLBFSMRXMFDGOO-CYBMUJFWSA-N -1 3 379.350 3.509 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1ccc(Cl)cc1F ZINC000511870729 841113071 /nfs/dbraw/zinc/11/30/71/841113071.db2.gz AUUVJWLSUJWUJY-CYBMUJFWSA-N -1 3 376.236 3.935 20 0 GHADHM Cc1nnc(SCC(=O)Nc2c([O-])cccc2Cl)n1Cc1ccccc1 ZINC000558472459 841190653 /nfs/dbraw/zinc/19/06/53/841190653.db2.gz DILGNHGPVMEFCS-UHFFFAOYSA-N -1 3 388.880 3.725 20 0 GHADHM COc1cc(Cl)c(CNCCc2nc(C)c(C(=O)[O-])s2)cc1Cl ZINC000277093794 844616404 /nfs/dbraw/zinc/61/64/04/844616404.db2.gz YCFDUAAOCJEKKB-UHFFFAOYSA-N -1 3 375.277 3.797 20 0 GHADHM CCOC(=O)Cc1cnc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)s1 ZINC000891375362 841221214 /nfs/dbraw/zinc/22/12/14/841221214.db2.gz OJLQAINODWZDFW-UHFFFAOYSA-N -1 3 399.803 3.630 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2I)c1F ZINC000313236251 841305378 /nfs/dbraw/zinc/30/53/78/841305378.db2.gz JSSZWTMAINZCSI-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)c2)n1 ZINC000049302520 841505395 /nfs/dbraw/zinc/50/53/95/841505395.db2.gz GSHWVTBZGGETNW-ZDUSSCGKSA-N -1 3 381.407 3.544 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC(F)F)c(OC)c2)[n-]c1=O ZINC000276292575 841514838 /nfs/dbraw/zinc/51/48/38/841514838.db2.gz KIYPPXTUKGPFFG-JXMROGBWSA-N -1 3 380.347 3.529 20 0 GHADHM Cn1ncc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1C(F)(F)F ZINC000600184555 861209446 /nfs/dbraw/zinc/20/94/46/861209446.db2.gz XEZZCFRLTUHOGJ-UHFFFAOYSA-N -1 3 385.396 3.694 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1)C1CCCCC1 ZINC000656615982 841566873 /nfs/dbraw/zinc/56/68/73/841566873.db2.gz IMIJQSBMJZTFAA-GOSISDBHSA-N -1 3 391.493 3.606 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc1C(F)(F)F ZINC000656635319 841622774 /nfs/dbraw/zinc/62/27/74/841622774.db2.gz TYGFLXFUTCHYHH-CQSZACIVSA-N -1 3 383.432 3.655 20 0 GHADHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000375640869 841858270 /nfs/dbraw/zinc/85/82/70/841858270.db2.gz CKPUEOKXHVYXOM-UHFFFAOYSA-N -1 3 376.391 3.926 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000656757139 841891138 /nfs/dbraw/zinc/89/11/38/841891138.db2.gz MQQOIJGDSPXDPE-CVEARBPZSA-N -1 3 394.393 3.746 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1OC ZINC000119407979 841898120 /nfs/dbraw/zinc/89/81/20/841898120.db2.gz UWQZLLOMYKYRQG-CQSZACIVSA-N -1 3 376.478 3.507 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C(=O)N(C)C)cc3)nc(=O)c2c1C ZINC000728353575 841966892 /nfs/dbraw/zinc/96/68/92/841966892.db2.gz HZRNTBWUGMYZAH-NSHDSACASA-N -1 3 399.472 3.634 20 0 GHADHM Cc1noc(C[C@@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)c2ccccc2)n1 ZINC000759927130 841985477 /nfs/dbraw/zinc/98/54/77/841985477.db2.gz DQFUJFVAHVQGPW-MRXNPFEDSA-N -1 3 375.350 3.709 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)cc1Cl ZINC000111358349 842051182 /nfs/dbraw/zinc/05/11/82/842051182.db2.gz PCDFVURYCKHVFZ-ZIAGYGMSSA-N -1 3 396.871 3.520 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cscc2C)c(Cl)cc1Cl ZINC000785289194 842069234 /nfs/dbraw/zinc/06/92/34/842069234.db2.gz JPOTZNHILMEYLO-UHFFFAOYSA-N -1 3 394.301 3.628 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000644851427 842137852 /nfs/dbraw/zinc/13/78/52/842137852.db2.gz UKQINPMSCNCOLY-UHFFFAOYSA-N -1 3 386.395 3.889 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000581837297 842262879 /nfs/dbraw/zinc/26/28/79/842262879.db2.gz NOPINTMIOXMZQJ-CYBMUJFWSA-N -1 3 397.504 3.513 20 0 GHADHM CC(C)N1CCN(c2cccc(NC(=O)C3(C(=O)[O-])CCCCCC3)c2)CC1 ZINC000663050540 842296013 /nfs/dbraw/zinc/29/60/13/842296013.db2.gz ZJYYHRKSHOLOHG-UHFFFAOYSA-N -1 3 387.524 3.581 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001211700056 842433475 /nfs/dbraw/zinc/43/34/75/842433475.db2.gz RJYQDIINMMBVHO-HAQNSBGRSA-N -1 3 390.814 3.978 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000471785644 842515436 /nfs/dbraw/zinc/51/54/36/842515436.db2.gz FHRDIQIJPQLTQD-UHFFFAOYSA-N -1 3 385.363 3.960 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1Cl ZINC000432481839 842639949 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GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001211704770 843049763 /nfs/dbraw/zinc/04/97/63/843049763.db2.gz FDIBYDUQPYYQAF-UONOGXRCSA-N -1 3 385.501 3.743 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)s1 ZINC000510662081 843151035 /nfs/dbraw/zinc/15/10/35/843151035.db2.gz ZCPCCTSWFXZKIW-UHFFFAOYSA-N -1 3 393.328 3.637 20 0 GHADHM O=C(NCc1cc2ccccc2o1)NCc1ccc([O-])c(Br)c1 ZINC000178569831 861384624 /nfs/dbraw/zinc/38/46/24/861384624.db2.gz UUFZYXPUKXBBMS-UHFFFAOYSA-N -1 3 375.222 3.900 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000471877803 843179127 /nfs/dbraw/zinc/17/91/27/843179127.db2.gz PIWUGWYCHGHOLO-CQSZACIVSA-N -1 3 397.422 3.802 20 0 GHADHM CSC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)CC1 ZINC000188636195 843257112 /nfs/dbraw/zinc/25/71/12/843257112.db2.gz SGXCBLSTBWISLC-UHFFFAOYSA-N -1 3 390.530 3.938 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cnc(-c2ccccc2)nc1 ZINC000187030719 843296248 /nfs/dbraw/zinc/29/62/48/843296248.db2.gz FCJXDNJYGPHNLE-UHFFFAOYSA-N -1 3 381.244 3.646 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)ccc1F ZINC000471898733 843331017 /nfs/dbraw/zinc/33/10/17/843331017.db2.gz KWPBJTHQURKEIK-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM C[S@](=O)c1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000610638890 843338303 /nfs/dbraw/zinc/33/83/03/843338303.db2.gz JKFVMFHZDZTASU-NDEPHWFRSA-N -1 3 393.508 3.845 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(OC)c1 ZINC000657109691 843559235 /nfs/dbraw/zinc/55/92/35/843559235.db2.gz WEGGLMXYTGRCQE-CQSZACIVSA-N -1 3 390.288 3.668 20 0 GHADHM COc1ccc(COCCOC(=O)c2cccc(Br)c2[O-])cc1 ZINC000731076745 861433103 /nfs/dbraw/zinc/43/31/03/861433103.db2.gz ACXMPTGTJPTHRW-UHFFFAOYSA-N -1 3 381.222 3.537 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1Cl ZINC000431177397 843778445 /nfs/dbraw/zinc/77/84/45/843778445.db2.gz FWFHZMFAFPGCGX-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1CO ZINC000432779650 843806332 /nfs/dbraw/zinc/80/63/32/843806332.db2.gz IDTSNUSFFRAWPV-UHFFFAOYSA-N -1 3 393.505 3.819 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2sc(C)cc2OC(F)F)[nH][n-]1 ZINC000603966314 861464677 /nfs/dbraw/zinc/46/46/77/861464677.db2.gz STNLVBFRBMBDIB-UHFFFAOYSA-N -1 3 379.388 3.731 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccc(C(C)=O)cc2)[nH][n-]1 ZINC000512844004 843876918 /nfs/dbraw/zinc/87/69/18/843876918.db2.gz FTJREIJLIHZBRG-UHFFFAOYSA-N -1 3 383.835 3.544 20 0 GHADHM CCOc1ccc(CC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)cc1 ZINC000512854096 843891277 /nfs/dbraw/zinc/89/12/77/843891277.db2.gz HDHZJHPMVFFVPY-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1Br ZINC000429831505 843948349 /nfs/dbraw/zinc/94/83/49/843948349.db2.gz UQIIXCBLFKUIBN-VIFPVBQESA-N -1 3 388.661 3.959 20 0 GHADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000549864958 844695811 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O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000729357195 844873211 /nfs/dbraw/zinc/87/32/11/844873211.db2.gz PZLHAXCZOOFUEW-KTKRTIGZSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000729357195 844873217 /nfs/dbraw/zinc/87/32/17/844873217.db2.gz PZLHAXCZOOFUEW-KTKRTIGZSA-N -1 3 376.807 3.720 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000729357472 844880850 /nfs/dbraw/zinc/88/08/50/844880850.db2.gz VQZIMQNBGJPKMA-TWGQIWQCSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000729357472 844880854 /nfs/dbraw/zinc/88/08/54/844880854.db2.gz VQZIMQNBGJPKMA-TWGQIWQCSA-N -1 3 384.237 3.590 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cnc(-c2ccccc2Cl)s1 ZINC000645013833 844883266 /nfs/dbraw/zinc/88/32/66/844883266.db2.gz XQPSUJLAPATQCS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM CSCC[C@H](C)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000120672646 845003666 /nfs/dbraw/zinc/00/36/66/845003666.db2.gz RTUQUDBHUMCJKP-JTQLQIEISA-N -1 3 383.311 3.504 20 0 GHADHM C[C@@]1(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC=CCC1 ZINC000458326564 845006932 /nfs/dbraw/zinc/00/69/32/845006932.db2.gz ASMMUHBIJLYMEC-NFBKMPQASA-N -1 3 378.472 3.868 20 0 GHADHM COC(=O)[C@H](CC(C)C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000429116060 861524662 /nfs/dbraw/zinc/52/46/62/861524662.db2.gz PYBJNUKBTFCHKA-ZDUSSCGKSA-N -1 3 389.477 3.676 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000535902601 845102471 /nfs/dbraw/zinc/10/24/71/845102471.db2.gz XOOSPTMRQCFUDH-UOXLDJKESA-N -1 3 395.477 3.657 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)C[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000513247238 845118009 /nfs/dbraw/zinc/11/80/09/845118009.db2.gz LUFQJCIJPGHOKZ-SWLSCSKDSA-N -1 3 397.500 3.663 20 0 GHADHM CCOc1cccc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000433631016 845129308 /nfs/dbraw/zinc/12/93/08/845129308.db2.gz DAZYAPSVMQQVHQ-UHFFFAOYSA-N -1 3 392.459 3.921 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n([C@H]3CCCOC3)c2C)c([O-])c1 ZINC000599711924 861535045 /nfs/dbraw/zinc/53/50/45/861535045.db2.gz GGYFDRNYCKLDNT-INIZCTEOSA-N -1 3 386.448 3.591 20 0 GHADHM CC(C)c1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccc(F)cc1 ZINC000248187895 845261869 /nfs/dbraw/zinc/26/18/69/845261869.db2.gz IRFFXWDPUHZWQU-UHFFFAOYSA-N -1 3 382.321 3.524 20 0 GHADHM CC(C)c1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(F)cc1 ZINC000248187895 845261881 /nfs/dbraw/zinc/26/18/81/845261881.db2.gz IRFFXWDPUHZWQU-UHFFFAOYSA-N -1 3 382.321 3.524 20 0 GHADHM COc1nsc(CNC(=O)c2cc3sccc3c([O-])c2)c1Br ZINC001167502528 845455759 /nfs/dbraw/zinc/45/57/59/845455759.db2.gz SEPDFUNIVZQCNK-UHFFFAOYSA-N -1 3 399.291 3.765 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000115332339 845873258 /nfs/dbraw/zinc/87/32/58/845873258.db2.gz WBZKUQXMIBHLCG-UHFFFAOYSA-N -1 3 393.266 3.572 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000472131255 846043426 /nfs/dbraw/zinc/04/34/26/846043426.db2.gz WRLQETVRMCWROK-HIFRSBDPSA-N -1 3 379.382 3.942 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)cc(Cl)c1[O-] ZINC000582017298 846080498 /nfs/dbraw/zinc/08/04/98/846080498.db2.gz JTOSWRRXAPDLCH-UHFFFAOYSA-N -1 3 392.883 3.612 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc(OC)c1OC ZINC000277447609 846178258 /nfs/dbraw/zinc/17/82/58/846178258.db2.gz UXZCFBAPQKMGKV-KRWDZBQOSA-N -1 3 379.840 3.590 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)CC23CCC(CC2)C3)c2ccc(Cl)cc2)no1 ZINC000329557666 861652065 /nfs/dbraw/zinc/65/20/65/861652065.db2.gz BYJULPZLXUQFKX-MNQCNDSGSA-N -1 3 395.912 3.621 20 0 GHADHM Cn1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)(F)F)nn1 ZINC000582085453 846271487 /nfs/dbraw/zinc/27/14/87/846271487.db2.gz IFLXDCAPLOQHSC-UHFFFAOYSA-N -1 3 384.305 3.741 20 0 GHADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccccc1F ZINC000421682596 846485353 /nfs/dbraw/zinc/48/53/53/846485353.db2.gz PDKCRCWCBJZPAL-QMMMGPOBSA-N -1 3 394.166 3.511 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1(c2ccc(F)cc2)CCOCC1 ZINC000179654887 861687033 /nfs/dbraw/zinc/68/70/33/861687033.db2.gz CJLHQPDGENQRCE-UHFFFAOYSA-N -1 3 394.240 3.981 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCCc2sccc21 ZINC000684783659 846544784 /nfs/dbraw/zinc/54/47/84/846544784.db2.gz VNYNCSRBSXUQRZ-UHFFFAOYSA-N -1 3 394.500 3.504 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccccc1C(F)(F)F ZINC000419606789 846672600 /nfs/dbraw/zinc/67/26/00/846672600.db2.gz SNXACAUXFOXJCO-UHFFFAOYSA-N -1 3 383.395 3.950 20 0 GHADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000503006392 846709021 /nfs/dbraw/zinc/70/90/21/846709021.db2.gz UAFKCZKPEVEMEJ-INIZCTEOSA-N -1 3 399.545 3.647 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc([O-])c3ccccc3c2)c(OC)c(OC)c1 ZINC000472200172 846714933 /nfs/dbraw/zinc/71/49/33/846714933.db2.gz WZGQDOWCCYWOOV-UHFFFAOYSA-N -1 3 381.384 3.602 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)(C)C)CC2)c1 ZINC001211541534 846728332 /nfs/dbraw/zinc/72/83/32/846728332.db2.gz XDJAUYRKXZSHMZ-LSDHHAIUSA-N -1 3 385.501 3.886 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccc(F)cc2)cc1 ZINC000503160316 846857367 /nfs/dbraw/zinc/85/73/67/846857367.db2.gz SXNHIUKKWVKFEG-LJQANCHMSA-N -1 3 394.381 3.764 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000582323439 846862344 /nfs/dbraw/zinc/86/23/44/846862344.db2.gz ABFPEPVQKIEBJO-JTQLQIEISA-N -1 3 381.885 3.667 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCSc3c(F)cccc32)cc1 ZINC000731601370 861753721 /nfs/dbraw/zinc/75/37/21/861753721.db2.gz RJYPJRKANWDPCT-HNNXBMFYSA-N -1 3 381.375 3.963 20 0 GHADHM Cc1ccc([C@@H](CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C(=O)[O-])cc1 ZINC000899767490 861761405 /nfs/dbraw/zinc/76/14/05/861761405.db2.gz SEKQJPPHOCWERA-FGZHOGPDSA-N -1 3 394.515 3.724 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c(C)c1 ZINC000501803026 847203915 /nfs/dbraw/zinc/20/39/15/847203915.db2.gz SWDUWPXXXPQSQH-UHFFFAOYSA-N -1 3 375.425 3.519 20 0 GHADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870114 847224445 /nfs/dbraw/zinc/22/44/45/847224445.db2.gz LUDIOSPPRHKMSF-HNNXBMFYSA-N -1 3 382.382 3.961 20 0 GHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000158873822 847362696 /nfs/dbraw/zinc/36/26/96/847362696.db2.gz DYCBAEAXPGMPIE-UHFFFAOYSA-N -1 3 391.468 3.574 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccco1 ZINC000420686816 847388929 /nfs/dbraw/zinc/38/89/29/847388929.db2.gz KJYRNWXJNCUMLW-LLVKDONJSA-N -1 3 395.811 3.591 20 0 GHADHM O=C(NCc1cc2c([nH]c1=O)CCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000673809197 861791181 /nfs/dbraw/zinc/79/11/81/861791181.db2.gz IJYHNJSRGNDZLF-UHFFFAOYSA-N -1 3 376.412 3.704 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1ccc(C)cc1Cl)Cc1ccc([O-])c(F)c1 ZINC000421042542 847656938 /nfs/dbraw/zinc/65/69/38/847656938.db2.gz YVCDOXPQTGJFEM-ZDUSSCGKSA-N -1 3 394.830 3.647 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)[n-]1 ZINC000277716319 847681270 /nfs/dbraw/zinc/68/12/70/847681270.db2.gz FPVYDRBCHCSXPK-UHFFFAOYSA-N -1 3 393.447 3.546 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n[n-]1 ZINC000277716319 847681273 /nfs/dbraw/zinc/68/12/73/847681273.db2.gz FPVYDRBCHCSXPK-UHFFFAOYSA-N -1 3 393.447 3.546 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc(F)cc2n[n-]nc21 ZINC000503466010 847719821 /nfs/dbraw/zinc/71/98/21/847719821.db2.gz MKBOTPWMLDBZJZ-UHFFFAOYSA-N -1 3 389.362 3.675 20 0 GHADHM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563409984 847738573 /nfs/dbraw/zinc/73/85/73/847738573.db2.gz YKDJPDDXIACGDH-AWEZNQCLSA-N -1 3 396.491 3.556 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cnc(-c2ccccc2)s1 ZINC001211550434 847751093 /nfs/dbraw/zinc/75/10/93/847751093.db2.gz VCBSGOHKBXNCNL-HNNXBMFYSA-N -1 3 390.461 3.751 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Cl ZINC000503519454 847763977 /nfs/dbraw/zinc/76/39/77/847763977.db2.gz QIDGSRIAHJFOGD-UHFFFAOYSA-N -1 3 399.209 3.681 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000503540354 847773791 /nfs/dbraw/zinc/77/37/91/847773791.db2.gz PLXNTWCWYNYQTG-FQEVSTJZSA-N -1 3 395.484 3.584 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000421164259 847799942 /nfs/dbraw/zinc/79/99/42/847799942.db2.gz KGGYJKJKGRZJNT-CQSZACIVSA-N -1 3 386.411 3.603 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000503572385 847807540 /nfs/dbraw/zinc/80/75/40/847807540.db2.gz OJUPZVMQQVGBGV-YVNCXZRQSA-N -1 3 399.516 3.551 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(N4CCCCC4)cc3)nc21 ZINC000503591073 847818272 /nfs/dbraw/zinc/81/82/72/847818272.db2.gz PENKFLFAQDTEIF-UHFFFAOYSA-N -1 3 378.432 3.592 20 0 GHADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000116357717 847983432 /nfs/dbraw/zinc/98/34/32/847983432.db2.gz GADCUFZYWWPFEN-ZDUSSCGKSA-N -1 3 398.450 3.608 20 0 GHADHM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000116711827 848036304 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CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3C(=O)[O-])CC[C@@H]21 ZINC001142647536 861943750 /nfs/dbraw/zinc/94/37/50/861943750.db2.gz ZXVAMVKUGAPXCG-PBHICJAKSA-N -1 3 394.899 3.870 20 0 GHADHM CC(=O)N(c1nc(COC(=O)c2cncc([O-])c2)cs1)c1cccc(C)c1C ZINC000731915919 861958975 /nfs/dbraw/zinc/95/89/75/861958975.db2.gz NMAASRRSQOIXQP-UHFFFAOYSA-N -1 3 397.456 3.902 20 0 GHADHM COC(C)(C)c1nc(C)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)s1 ZINC000583055119 848974657 /nfs/dbraw/zinc/97/46/57/848974657.db2.gz DFFRMAFIXHYBGF-UHFFFAOYSA-N -1 3 392.431 3.676 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccccc3N(C)C)cc2)cc(=O)[n-]1 ZINC000583167442 849235591 /nfs/dbraw/zinc/23/55/91/849235591.db2.gz VNDKMGWVUVNOKB-UHFFFAOYSA-N -1 3 391.475 3.888 20 0 GHADHM Cn1ccnc1[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000535986119 849532782 /nfs/dbraw/zinc/53/27/82/849532782.db2.gz YVNKWXSEBZHERM-LJQANCHMSA-N -1 3 375.472 3.541 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCCCC2)c(Cl)c1 ZINC000278182482 849533163 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GHADHM Cc1cccc([C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C(=O)[O-])c1C ZINC000908751745 850329429 /nfs/dbraw/zinc/32/94/29/850329429.db2.gz NBGHMJPUXSJPJN-LEWJYISDSA-N -1 3 395.503 3.565 20 0 GHADHM O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)[N-]C(=O)c1cccs1 ZINC000007019120 850329795 /nfs/dbraw/zinc/32/97/95/850329795.db2.gz FXCOKXIWOJCSGW-UHFFFAOYSA-N -1 3 392.647 3.822 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)cc1[O-] ZINC000425328310 850344850 /nfs/dbraw/zinc/34/48/50/850344850.db2.gz TZQHYLNYFJTZER-UHFFFAOYSA-N -1 3 384.501 3.950 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000518917438 850349547 /nfs/dbraw/zinc/34/95/47/850349547.db2.gz XLBMXPOJBCIYLX-UHFFFAOYSA-N -1 3 388.258 3.578 20 0 GHADHM CCC1CCC(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)(C(=O)[O-])CC1 ZINC000908807719 850374952 /nfs/dbraw/zinc/37/49/52/850374952.db2.gz YHBYUHOXCYRHQM-CMVHYPBASA-N -1 3 395.569 3.854 20 0 GHADHM Cc1c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)sc2nccc(C)c12 ZINC000481721202 862127247 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CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000487561548 850713520 /nfs/dbraw/zinc/71/35/20/850713520.db2.gz CBGZYCYGYAESGR-UHFFFAOYSA-N -1 3 388.272 3.890 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000435674223 850761918 /nfs/dbraw/zinc/76/19/18/850761918.db2.gz FNRNJLYIQLHYQK-UHFFFAOYSA-N -1 3 397.360 3.955 20 0 GHADHM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000909758420 850762439 /nfs/dbraw/zinc/76/24/39/850762439.db2.gz NQLLSPATYQSVQX-KPZWWZAWSA-N -1 3 387.307 3.674 20 0 GHADHM Cc1nc(NC(=O)c2nnc3ccccc3c2[O-])sc1Cc1ccccc1 ZINC000732273156 862169186 /nfs/dbraw/zinc/16/91/86/862169186.db2.gz KEJOYWKNQTXLCG-UHFFFAOYSA-N -1 3 376.441 3.943 20 0 GHADHM Cc1cccc([C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])c1C ZINC000909805048 850799032 /nfs/dbraw/zinc/79/90/32/850799032.db2.gz WDRQTWWBAPPYTD-NRFANRHFSA-N -1 3 380.488 3.845 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000569863676 850817307 /nfs/dbraw/zinc/81/73/07/850817307.db2.gz HLIJHMOIKHBNKA-UHFFFAOYSA-N -1 3 379.460 3.580 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)cc2)CC1 ZINC000909842306 850820381 /nfs/dbraw/zinc/82/03/81/850820381.db2.gz YADZEVXJUHLRPK-QGZVFWFLSA-N -1 3 395.503 3.657 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000435880095 850955088 /nfs/dbraw/zinc/95/50/88/850955088.db2.gz HOMNIZLJUHKIEV-UHFFFAOYSA-N -1 3 387.365 3.847 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000435880095 850955094 /nfs/dbraw/zinc/95/50/94/850955094.db2.gz HOMNIZLJUHKIEV-UHFFFAOYSA-N -1 3 387.365 3.847 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1C ZINC000506823378 851065441 /nfs/dbraw/zinc/06/54/41/851065441.db2.gz XKXKEYCQZIQDML-UHFFFAOYSA-N -1 3 390.505 3.655 20 0 GHADHM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000910367404 851158067 /nfs/dbraw/zinc/15/80/67/851158067.db2.gz GSUYWOFQGVSVRX-CTNGQTDRSA-N -1 3 398.478 3.678 20 0 GHADHM O=C(NCCCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000475029287 862211808 /nfs/dbraw/zinc/21/18/08/862211808.db2.gz OPELNDAUNUJRBI-UHFFFAOYSA-N -1 3 392.242 3.631 20 0 GHADHM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000910370829 851161567 /nfs/dbraw/zinc/16/15/67/851161567.db2.gz TVYWWERNMJYMKG-OAQYLSRUSA-N -1 3 380.488 3.927 20 0 GHADHM CCOC(=O)C1CCC(N(CC)C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000514044517 851167730 /nfs/dbraw/zinc/16/77/30/851167730.db2.gz LQHZCBYHWWESQK-UHFFFAOYSA-N -1 3 379.472 3.824 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000488230214 851281878 /nfs/dbraw/zinc/28/18/78/851281878.db2.gz KGHRYPHTGQXRFB-MOPGFXCFSA-N -1 3 375.490 3.732 20 0 GHADHM O=C(COC(=O)c1cccc(Oc2ccccc2)c1)[N-]C(=O)c1cccs1 ZINC000007120345 851283082 /nfs/dbraw/zinc/28/30/82/851283082.db2.gz WQCGNZLQTHUUEA-UHFFFAOYSA-N -1 3 381.409 3.654 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)cs1)c1cccc(Cl)c1F ZINC000048671432 851462375 /nfs/dbraw/zinc/46/23/75/851462375.db2.gz RQRUDTCQFCXQBC-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000488443984 851516499 /nfs/dbraw/zinc/51/64/99/851516499.db2.gz OYMZGZLHYWVPDM-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM CC1CCN([C@@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)c2cccs2)CC1 ZINC000911103621 851572183 /nfs/dbraw/zinc/57/21/83/851572183.db2.gz QHWZAPAZQWJFSI-CHYADLBTSA-N -1 3 388.489 3.642 20 0 GHADHM COc1ccc([C@@H](C)NCc2ncc(Br)cc2[O-])c(C)c1OC ZINC000894515802 851582255 /nfs/dbraw/zinc/58/22/55/851582255.db2.gz UUKWNEBZXUHTDO-LLVKDONJSA-N -1 3 381.270 3.726 20 0 GHADHM [O-]c1ccc(F)c(CNCc2ccc(OCCOc3ccccc3)nc2)c1F ZINC000510016902 851602854 /nfs/dbraw/zinc/60/28/54/851602854.db2.gz ZTRQFHUEDLEUOW-UHFFFAOYSA-N -1 3 386.398 3.813 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2cccc(CC(=O)[O-])c2)c2ccccc2)CC1 ZINC000911246430 851642650 /nfs/dbraw/zinc/64/26/50/851642650.db2.gz GNBYZRQRHLSNFY-NRFANRHFSA-N -1 3 380.488 3.517 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1cc2c(s1)CCCCCC2 ZINC000911278622 851658980 /nfs/dbraw/zinc/65/89/80/851658980.db2.gz BQNKNZIUDZMNQS-QGZVFWFLSA-N -1 3 392.565 3.808 20 0 GHADHM Cc1oc(C(=O)[O-])cc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000911362021 851697695 /nfs/dbraw/zinc/69/76/95/851697695.db2.gz GJHKNNDJDTWISD-UHFFFAOYSA-N -1 3 390.867 3.678 20 0 GHADHM Cc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000911362793 851698049 /nfs/dbraw/zinc/69/80/49/851698049.db2.gz OSBVUJUEVQEBPU-UHFFFAOYSA-N -1 3 390.867 3.678 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000894609559 851767713 /nfs/dbraw/zinc/76/77/13/851767713.db2.gz FYGHSCLMOZNVOC-KRWDZBQOSA-N -1 3 377.282 3.543 20 0 GHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000394912434 851775767 /nfs/dbraw/zinc/77/57/67/851775767.db2.gz HETWLGCMXNZTEM-UHFFFAOYSA-N -1 3 382.279 3.883 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1Cl ZINC000488822141 851800553 /nfs/dbraw/zinc/80/05/53/851800553.db2.gz KHJORCBURBYDIT-QGZVFWFLSA-N -1 3 382.888 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000488827666 851804193 /nfs/dbraw/zinc/80/41/93/851804193.db2.gz VJSCUAROWYMNMV-TZMCWYRMSA-N -1 3 377.334 3.818 20 0 GHADHM Cc1ccc(NC(=O)Cc2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)cc1 ZINC000515925450 851931770 /nfs/dbraw/zinc/93/17/70/851931770.db2.gz VTCNARQUORXQGC-UHFFFAOYSA-N -1 3 388.786 3.604 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2csc(NC3CC3)n2)s1)c1ccccc1 ZINC000425942708 851965469 /nfs/dbraw/zinc/96/54/69/851965469.db2.gz HKBBMYBZCDJWST-UHFFFAOYSA-N -1 3 385.518 3.569 20 0 GHADHM CCCCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436510988 851999248 /nfs/dbraw/zinc/99/92/48/851999248.db2.gz GCNBCYITKACMJN-UHFFFAOYSA-N -1 3 397.475 3.561 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C)CCCCCC2)no1 ZINC000032435061 852001350 /nfs/dbraw/zinc/00/13/50/852001350.db2.gz MIZUBXLJGNYFEK-UHFFFAOYSA-N -1 3 383.901 3.868 20 0 GHADHM CCOC(=O)c1csc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436552999 852040264 /nfs/dbraw/zinc/04/02/64/852040264.db2.gz YZAMRWHONLCNMD-UHFFFAOYSA-N -1 3 396.468 3.546 20 0 GHADHM Cc1nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000436540705 852052872 /nfs/dbraw/zinc/05/28/72/852052872.db2.gz ZTCLSBOBMMCQBZ-KRWDZBQOSA-N -1 3 381.457 3.657 20 0 GHADHM O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436542041 852056578 /nfs/dbraw/zinc/05/65/78/852056578.db2.gz CBTLMCXIWMRXSV-IBGZPJMESA-N -1 3 391.471 3.663 20 0 GHADHM COCCCOC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436565762 852068012 /nfs/dbraw/zinc/06/80/12/852068012.db2.gz VZJMWXBSHBIFAH-UHFFFAOYSA-N -1 3 397.515 3.835 20 0 GHADHM CS(=O)(=O)c1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436572675 852075764 /nfs/dbraw/zinc/07/57/64/852075764.db2.gz FNPHFYWOVVEAJI-UHFFFAOYSA-N -1 3 395.480 3.833 20 0 GHADHM CCNC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436573762 852076688 /nfs/dbraw/zinc/07/66/88/852076688.db2.gz DMIPINQTJIWEOZ-UHFFFAOYSA-N -1 3 388.467 3.663 20 0 GHADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)cc1[O-] ZINC000436599881 852085602 /nfs/dbraw/zinc/08/56/02/852085602.db2.gz DUURJXCEXTZQNA-DYESRHJHSA-N -1 3 381.520 3.777 20 0 GHADHM COc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1NC(N)=O ZINC000436586043 852094059 /nfs/dbraw/zinc/09/40/59/852094059.db2.gz LBAMLHOKANTTHC-UHFFFAOYSA-N -1 3 391.427 3.735 20 0 GHADHM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436590550 852098006 /nfs/dbraw/zinc/09/80/06/852098006.db2.gz SXPIYMHYDZDXMF-MRXNPFEDSA-N -1 3 390.439 3.873 20 0 GHADHM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603202 852102972 /nfs/dbraw/zinc/10/29/72/852102972.db2.gz MGSRTGMANXPCQZ-WMZHIEFXSA-N -1 3 397.540 3.962 20 0 GHADHM Cn1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(C(F)(F)F)n1 ZINC000436609873 852109267 /nfs/dbraw/zinc/10/92/67/852109267.db2.gz WSVMULBIFPALKH-UHFFFAOYSA-N -1 3 391.349 3.976 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000436612965 852112312 /nfs/dbraw/zinc/11/23/12/852112312.db2.gz ZIYCMKHPRFARPY-NSHDSACASA-N -1 3 380.366 3.730 20 0 GHADHM CO[C@H](C)CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)C ZINC000436615943 852115492 /nfs/dbraw/zinc/11/54/92/852115492.db2.gz BXELHWCSSOMXGJ-UTKZUKDTSA-N -1 3 398.503 3.525 20 0 GHADHM CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436632066 852126433 /nfs/dbraw/zinc/12/64/33/852126433.db2.gz XRFAZVPJOPTKDB-KRWDZBQOSA-N -1 3 382.460 3.639 20 0 GHADHM Cc1nnc([C@H]2CCCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])[nH]1 ZINC000436656158 852147547 /nfs/dbraw/zinc/14/75/47/852147547.db2.gz OXHOHSMVUHDRLU-HXUWFJFHSA-N -1 3 390.487 3.971 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(N[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000436641292 852150644 /nfs/dbraw/zinc/15/06/44/852150644.db2.gz NCJHHFVBFKJGEL-SFHVURJKSA-N -1 3 378.394 3.890 20 0 GHADHM C[C@H](c1cccc(Br)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436642963 852150920 /nfs/dbraw/zinc/15/09/20/852150920.db2.gz LCMWFXRVLCVFFG-CQSZACIVSA-N -1 3 389.293 3.674 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3ccncc3)cc2)c([O-])c1 ZINC000436667820 852165121 /nfs/dbraw/zinc/16/51/21/852165121.db2.gz VYABNOHFMOTIAD-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM C[C@@H]1CCc2nc(CNC[C@@H](Cc3cccc(Cl)c3)C(=O)[O-])sc2C1 ZINC000426671345 852174535 /nfs/dbraw/zinc/17/45/35/852174535.db2.gz LNJFJRVKWCHOII-TZMCWYRMSA-N -1 3 378.925 3.954 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)OC(C)C ZINC000516109673 852177972 /nfs/dbraw/zinc/17/79/72/852177972.db2.gz PEIDAFGTBMNTTM-UHFFFAOYSA-N -1 3 387.379 3.778 20 0 GHADHM Cc1oc2ccc(NC(=O)C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)cc2c1C ZINC000436689041 852199009 /nfs/dbraw/zinc/19/90/09/852199009.db2.gz DEYIKNYFQJJXRZ-UHFFFAOYSA-N -1 3 388.427 3.747 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000436695094 852206942 /nfs/dbraw/zinc/20/69/42/852206942.db2.gz JVAQVNVOJAEGTQ-UHFFFAOYSA-N -1 3 380.419 3.749 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(C)c1OC(F)F ZINC000436695875 852209446 /nfs/dbraw/zinc/20/94/46/852209446.db2.gz MQERNRBJPBSDFB-UHFFFAOYSA-N -1 3 390.430 3.568 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c([O-])c1C ZINC000436703713 852221467 /nfs/dbraw/zinc/22/14/67/852221467.db2.gz HUSGTKGJTVRYBX-UHFFFAOYSA-N -1 3 392.427 3.965 20 0 GHADHM CC(C)N1CCO[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436704588 852222910 /nfs/dbraw/zinc/22/29/10/852222910.db2.gz HIGYXSCTPXRODD-SFHVURJKSA-N -1 3 397.500 3.717 20 0 GHADHM O=C(CNC(=O)c1ccco1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436705237 852224268 /nfs/dbraw/zinc/22/42/68/852224268.db2.gz REJWTQJBVDJSOY-UHFFFAOYSA-N -1 3 393.424 3.630 20 0 GHADHM C[S@](=O)Cc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436711504 852232636 /nfs/dbraw/zinc/23/26/36/852232636.db2.gz ITFFZZANENTCGJ-NDEPHWFRSA-N -1 3 395.480 3.993 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000843761501 852236019 /nfs/dbraw/zinc/23/60/19/852236019.db2.gz BLVRXRCDFNYKQU-UHFFFAOYSA-N -1 3 392.411 3.914 20 0 GHADHM CO[C@@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000180779231 862335412 /nfs/dbraw/zinc/33/54/12/862335412.db2.gz STUHUHHBXKJEJZ-AWEZNQCLSA-N -1 3 394.468 3.689 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000516195309 852255710 /nfs/dbraw/zinc/25/57/10/852255710.db2.gz RNTZXRBDCDENRT-GFCCVEGCSA-N -1 3 385.361 3.656 20 0 GHADHM Cc1nc2cc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)ccc2n1-c1ccccc1 ZINC000473848733 852268330 /nfs/dbraw/zinc/26/83/30/852268330.db2.gz SYUXEGGMNLVJJH-HXUWFJFHSA-N -1 3 387.443 3.583 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2ccc(F)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436732502 852272798 /nfs/dbraw/zinc/27/27/98/852272798.db2.gz RGVASVSFDAZDSH-SGTLLEGYSA-N -1 3 380.822 3.747 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000436763060 852283136 /nfs/dbraw/zinc/28/31/36/852283136.db2.gz VVNJGFFGOITVDX-FQEVSTJZSA-N -1 3 380.444 3.641 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3cc(C)ccc3C)nc21 ZINC000438342836 852290952 /nfs/dbraw/zinc/29/09/52/852290952.db2.gz PJOZFHBOZWKYKK-UHFFFAOYSA-N -1 3 379.416 3.568 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000426732618 852327588 /nfs/dbraw/zinc/32/75/88/852327588.db2.gz JBVKLMDJEKFAIB-RTBURBONSA-N -1 3 375.852 3.813 20 0 GHADHM COc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000426743725 852343510 /nfs/dbraw/zinc/34/35/10/852343510.db2.gz VEACMHBGJFPKFN-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000436790242 852343847 /nfs/dbraw/zinc/34/38/47/852343847.db2.gz GFSHXSRQVUJOKD-NRFANRHFSA-N -1 3 393.439 3.937 20 0 GHADHM COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C)cc1[O-] ZINC000436817131 852356932 /nfs/dbraw/zinc/35/69/32/852356932.db2.gz QZISQQJWRZMIGV-UHFFFAOYSA-N -1 3 384.295 3.813 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(Oc2cnccn2)CC1 ZINC000436817754 852358847 /nfs/dbraw/zinc/35/88/47/852358847.db2.gz YLCXMNBQWMGDNS-UHFFFAOYSA-N -1 3 391.427 3.658 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000436817688 852359085 /nfs/dbraw/zinc/35/90/85/852359085.db2.gz BVWJJOJPFOKFJN-UHFFFAOYSA-N -1 3 382.641 3.712 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)sc1Br ZINC000555979558 862348843 /nfs/dbraw/zinc/34/88/43/862348843.db2.gz ZGPIEUWMESKEQG-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM Cc1ccc(-n2cnc3c2CCN(C(=O)CCCc2ccc([O-])c(F)c2)C3)cc1 ZINC000489449282 852365490 /nfs/dbraw/zinc/36/54/90/852365490.db2.gz OCIHGCOFGMYFFR-UHFFFAOYSA-N -1 3 393.462 3.933 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C)c3ncccc3c2)cc1OC ZINC000426796829 852406179 /nfs/dbraw/zinc/40/61/79/852406179.db2.gz DGMZIYDTQXETIF-SFHVURJKSA-N -1 3 380.444 3.866 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(OC[C@@H]4CCCO4)c(OC)c3)no2)c1 ZINC000436900732 852486499 /nfs/dbraw/zinc/48/64/99/852486499.db2.gz JRIPNTNYAQTXMY-HNNXBMFYSA-N -1 3 398.415 3.684 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOCC)cc2)cc1 ZINC000507024073 852492548 /nfs/dbraw/zinc/49/25/48/852492548.db2.gz ZHXDDVOCIBGARL-UHFFFAOYSA-N -1 3 379.478 3.692 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c1 ZINC000436918799 852499422 /nfs/dbraw/zinc/49/94/22/852499422.db2.gz KHLXCRFSULARNQ-UHFFFAOYSA-N -1 3 376.372 3.624 20 0 GHADHM CCc1cccc(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000031874834 852499816 /nfs/dbraw/zinc/49/98/16/852499816.db2.gz HFRKAFGZOWKCCT-UHFFFAOYSA-N -1 3 392.496 3.890 20 0 GHADHM CC(=O)N[C@@H](C)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436926641 852509014 /nfs/dbraw/zinc/50/90/14/852509014.db2.gz NXAPWYCDQOTLJY-HNNXBMFYSA-N -1 3 382.460 3.561 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nnc2n1CCCCC2 ZINC000436926504 852509175 /nfs/dbraw/zinc/50/91/75/852509175.db2.gz MEZOOGBHPMZBDA-MRXNPFEDSA-N -1 3 390.487 3.792 20 0 GHADHM CCc1cc2c(ncnc2NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000436936867 852519172 /nfs/dbraw/zinc/51/91/72/852519172.db2.gz OPVCHVIIDSGGHS-UHFFFAOYSA-N -1 3 382.489 3.676 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000436962186 852532232 /nfs/dbraw/zinc/53/22/32/852532232.db2.gz IYCQBVXHBAJIQI-SJKOYZFVSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1nc(COc2ccc(NC(=O)c3ccc4c(c3[O-])CCCC4)cc2)no1 ZINC000436964122 852534137 /nfs/dbraw/zinc/53/41/37/852534137.db2.gz RDJYSROJRDMECJ-UHFFFAOYSA-N -1 3 379.416 3.794 20 0 GHADHM CC(C)C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436967207 852538054 /nfs/dbraw/zinc/53/80/54/852538054.db2.gz OUJZTAJZEXFMAR-NRFANRHFSA-N -1 3 380.488 3.507 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cccc(NC(=O)N(C)C)c2)c([O-])c1 ZINC000436989841 852579149 /nfs/dbraw/zinc/57/91/49/852579149.db2.gz SNBVGIYMURYDTQ-UHFFFAOYSA-N -1 3 385.464 3.595 20 0 GHADHM CCC1(CC)CN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436995272 852584670 /nfs/dbraw/zinc/58/46/70/852584670.db2.gz AMYKCVIOXVACLP-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000516481860 852626267 /nfs/dbraw/zinc/62/62/67/852626267.db2.gz SXYAYFGYZORFOU-HUUCEWRRSA-N -1 3 377.387 3.821 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(F)(F)F)C(C)C)c1 ZINC000438617800 852634266 /nfs/dbraw/zinc/63/42/66/852634266.db2.gz GAJLIICAXSMGOE-CQSZACIVSA-N -1 3 399.369 3.648 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000517960565 852662234 /nfs/dbraw/zinc/66/22/34/852662234.db2.gz PLONEBBSUAUXCQ-UHFFFAOYSA-N -1 3 377.444 3.846 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000438691278 852730676 /nfs/dbraw/zinc/73/06/76/852730676.db2.gz FIOGQYGYMHXDMP-UHFFFAOYSA-N -1 3 395.286 3.536 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccc(F)cc1 ZINC000473854968 852742980 /nfs/dbraw/zinc/74/29/80/852742980.db2.gz PPSWFMWQOIWQEX-GFCCVEGCSA-N -1 3 396.242 3.938 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000506332894 852761456 /nfs/dbraw/zinc/76/14/56/852761456.db2.gz CBUNEWVSADGJAH-AWEZNQCLSA-N -1 3 378.831 3.938 20 0 GHADHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc([O-])ccc1Cl ZINC000507311436 852772256 /nfs/dbraw/zinc/77/22/56/852772256.db2.gz ZKGLLDJAZVEADA-UYAOXDASSA-N -1 3 377.843 3.688 20 0 GHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000437195524 852832642 /nfs/dbraw/zinc/83/26/42/852832642.db2.gz RQROSHVWBQYENO-UHFFFAOYSA-N -1 3 395.528 3.783 20 0 GHADHM Cc1ccc(CC2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)cc1C ZINC000490231620 852844982 /nfs/dbraw/zinc/84/49/82/852844982.db2.gz RKUMBVRFEVUWFZ-UHFFFAOYSA-N -1 3 395.429 3.605 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000438779554 852845579 /nfs/dbraw/zinc/84/55/79/852845579.db2.gz URCAHMOFVPKQDL-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000518129265 852891094 /nfs/dbraw/zinc/89/10/94/852891094.db2.gz UORBKYBJYKOTKK-FUHWJXTLSA-N -1 3 392.908 3.778 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cnc1C ZINC000427346077 853010287 /nfs/dbraw/zinc/01/02/87/853010287.db2.gz HSCNBSIHQBVCRK-UHFFFAOYSA-N -1 3 390.795 3.568 20 0 GHADHM Cc1nc(S(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)[n-]c1-c1ccccc1 ZINC000490452974 853017310 /nfs/dbraw/zinc/01/73/10/853017310.db2.gz LRIRBMVJXILFGH-UHFFFAOYSA-N -1 3 397.500 3.600 20 0 GHADHM Cc1[n-]c(S(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)nc1-c1ccccc1 ZINC000490452974 853017319 /nfs/dbraw/zinc/01/73/19/853017319.db2.gz LRIRBMVJXILFGH-UHFFFAOYSA-N -1 3 397.500 3.600 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cc(C(F)(F)F)on1 ZINC000490464133 853023434 /nfs/dbraw/zinc/02/34/34/853023434.db2.gz MQZWMJNWGAUFKQ-UHFFFAOYSA-N -1 3 386.754 3.700 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)o1 ZINC000490553354 853088839 /nfs/dbraw/zinc/08/88/39/853088839.db2.gz AWVZMXFPLPIWCM-UHFFFAOYSA-N -1 3 380.363 3.572 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000437431740 853133601 /nfs/dbraw/zinc/13/36/01/853133601.db2.gz GCCMCONZRSSXIW-JCNLHEQBSA-N -1 3 391.427 3.617 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000437458148 853157709 /nfs/dbraw/zinc/15/77/09/853157709.db2.gz CNTBBLRKCOZCBQ-JCNLHEQBSA-N -1 3 386.879 3.536 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)c(F)c1 ZINC000180972734 862435357 /nfs/dbraw/zinc/43/53/57/862435357.db2.gz BLTRMGQQJRHEPR-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1ccc(Br)cn1 ZINC000427515588 853185709 /nfs/dbraw/zinc/18/57/09/853185709.db2.gz UBVMDBWQIVFXPE-MRXNPFEDSA-N -1 3 393.262 3.505 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001170313183 881343358 /nfs/dbraw/zinc/34/33/58/881343358.db2.gz ZHFDHIWZWLFKHX-HXUWFJFHSA-N -1 3 397.866 3.979 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(F)cc1Cl ZINC000913297597 853220955 /nfs/dbraw/zinc/22/09/55/853220955.db2.gz ZKZQDZAVQXFECB-VIFPVBQESA-N -1 3 377.759 3.646 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000913297597 853220964 /nfs/dbraw/zinc/22/09/64/853220964.db2.gz ZKZQDZAVQXFECB-VIFPVBQESA-N -1 3 377.759 3.646 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490786027 853261025 /nfs/dbraw/zinc/26/10/25/853261025.db2.gz WDXHMVHCDBAAGY-ZBFHGGJFSA-N -1 3 393.369 3.590 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001170313183 881343373 /nfs/dbraw/zinc/34/33/73/881343373.db2.gz ZHFDHIWZWLFKHX-HXUWFJFHSA-N -1 3 397.866 3.979 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3nc(-c4cccs4)oc3C)nc21 ZINC000157784845 862449753 /nfs/dbraw/zinc/44/97/53/862449753.db2.gz UNTKPDYNJYMYEJ-UHFFFAOYSA-N -1 3 396.428 3.556 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC(F)(F)C3)cc2)cc1 ZINC000440514028 853325556 /nfs/dbraw/zinc/32/55/56/853325556.db2.gz NKEWWRFMAQXOMH-UHFFFAOYSA-N -1 3 380.416 3.780 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000519684989 853392417 /nfs/dbraw/zinc/39/24/17/853392417.db2.gz PFUMNKZQMCUEPF-HOCLYGCPSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000519684989 853392422 /nfs/dbraw/zinc/39/24/22/853392422.db2.gz PFUMNKZQMCUEPF-HOCLYGCPSA-N -1 3 385.830 3.715 20 0 GHADHM COc1ccc2occ(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)c2c1 ZINC000440688062 853522268 /nfs/dbraw/zinc/52/22/68/853522268.db2.gz BGXJHPIAFIUPRR-UHFFFAOYSA-N -1 3 375.384 3.752 20 0 GHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1cccs1 ZINC000586757515 853526371 /nfs/dbraw/zinc/52/63/71/853526371.db2.gz KVSQYQUZLKJFPN-LBPRGKRZSA-N -1 3 381.500 3.546 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000054804499 853547945 /nfs/dbraw/zinc/54/79/45/853547945.db2.gz NLEJDDJOEFXVSY-UHFFFAOYSA-N -1 3 396.539 3.686 20 0 GHADHM Cc1ccc([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000437837750 853598183 /nfs/dbraw/zinc/59/81/83/853598183.db2.gz FICBFFOIAYCIAI-YWZLYKJASA-N -1 3 389.517 3.728 20 0 GHADHM N#Cc1cccc(COc2cccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)c2)c1 ZINC000055006376 853634539 /nfs/dbraw/zinc/63/45/39/853634539.db2.gz JSXFVGPUVFDJPV-HYARGMPZSA-N -1 3 395.418 3.860 20 0 GHADHM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000546073657 853694363 /nfs/dbraw/zinc/69/43/63/853694363.db2.gz UDFHCSSBDRSGHK-HNNXBMFYSA-N -1 3 391.489 3.626 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000517348793 853695508 /nfs/dbraw/zinc/69/55/08/853695508.db2.gz TXHFCMJLOOAYKQ-DZGCQCFKSA-N -1 3 389.293 3.720 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)s1 ZINC000518736327 853713056 /nfs/dbraw/zinc/71/30/56/853713056.db2.gz NLRBLTCUNUXZDF-UHFFFAOYSA-N -1 3 393.476 3.570 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891975 853738260 /nfs/dbraw/zinc/73/82/60/853738260.db2.gz WXASQJAJDSHDQJ-ZIAGYGMSSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000473891975 853738265 /nfs/dbraw/zinc/73/82/65/853738265.db2.gz WXASQJAJDSHDQJ-ZIAGYGMSSA-N -1 3 388.258 3.840 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1 ZINC000571155142 853771481 /nfs/dbraw/zinc/77/14/81/853771481.db2.gz OBONOZOBNUXPOL-XOBRGWDASA-N -1 3 388.489 3.647 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OCC2CCCCC2)cc1 ZINC000481910373 862508614 /nfs/dbraw/zinc/50/86/14/862508614.db2.gz MKRIZYHGKCWSAF-UHFFFAOYSA-N -1 3 382.386 3.713 20 0 GHADHM CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000520263505 854015247 /nfs/dbraw/zinc/01/52/47/854015247.db2.gz XKJJRRKNCDXFEV-UHFFFAOYSA-N -1 3 396.896 3.516 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000481905832 862523302 /nfs/dbraw/zinc/52/33/02/862523302.db2.gz PWPZXQFJLIVKJW-HNNXBMFYSA-N -1 3 392.406 3.973 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)CC2 ZINC000763989927 862523944 /nfs/dbraw/zinc/52/39/44/862523944.db2.gz WAJKHQYRBOWCGW-SFHVURJKSA-N -1 3 376.412 3.802 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1OC ZINC000588088154 854102634 /nfs/dbraw/zinc/10/26/34/854102634.db2.gz QPWIBMFFOFOYRF-UHFFFAOYSA-N -1 3 384.404 3.647 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000481935624 862541199 /nfs/dbraw/zinc/54/11/99/862541199.db2.gz WIYXXPCEOSLQNG-DTWKUNHWSA-N -1 3 379.169 3.550 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1sccc1F ZINC000550327372 854206897 /nfs/dbraw/zinc/20/68/97/854206897.db2.gz AAZSPVUJPCSYBA-UHFFFAOYSA-N -1 3 382.360 3.530 20 0 GHADHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3c(C)nn(C)c3Cl)oc21 ZINC000055987330 854296497 /nfs/dbraw/zinc/29/64/97/854296497.db2.gz HJNDWPNFUNASMV-SNVBAGLBSA-N -1 3 397.884 3.566 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2ccccc2F)cc1OC ZINC000588641648 854323693 /nfs/dbraw/zinc/32/36/93/854323693.db2.gz KSVVGJBFAPPYRN-CYBMUJFWSA-N -1 3 394.468 3.728 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000123714944 854414091 /nfs/dbraw/zinc/41/40/91/854414091.db2.gz YUDJCIUPOQKZDD-UHFFFAOYSA-N -1 3 378.270 3.699 20 0 GHADHM COCCC[C@@H](CNC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Cl)cc1 ZINC000572509993 854521870 /nfs/dbraw/zinc/52/18/70/854521870.db2.gz FOIVMFNJCNKHEP-INIZCTEOSA-N -1 3 386.883 3.742 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000572495096 854523245 /nfs/dbraw/zinc/52/32/45/854523245.db2.gz FYESMLKLDPAIHD-HNNXBMFYSA-N -1 3 394.258 3.580 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000068117137 854551465 /nfs/dbraw/zinc/55/14/65/854551465.db2.gz BHCQFTLVXSYMBH-ZDUSSCGKSA-N -1 3 376.815 3.676 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2)cc(=O)[n-]1 ZINC000328842076 854571178 /nfs/dbraw/zinc/57/11/78/854571178.db2.gz PAXTUFDTQCHUDF-KRWDZBQOSA-N -1 3 378.436 3.640 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cn(-c2ccccc2Cl)nn1 ZINC000069784991 854695056 /nfs/dbraw/zinc/69/50/56/854695056.db2.gz KCWKMIZFTIVYLA-UHFFFAOYSA-N -1 3 382.836 3.692 20 0 GHADHM CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3cn[n-]n3)cc2)CC1 ZINC000589130391 854705516 /nfs/dbraw/zinc/70/55/16/854705516.db2.gz PWQUOVKNDLWLFS-UHFFFAOYSA-N -1 3 383.496 3.670 20 0 GHADHM Cc1nn(C)c(C)c1CCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166483 854710960 /nfs/dbraw/zinc/71/09/60/854710960.db2.gz GBBCGHROOZCZFS-UHFFFAOYSA-N -1 3 392.290 3.727 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)c(=O)c2c(OC)c1 ZINC000624034345 862598492 /nfs/dbraw/zinc/59/84/92/862598492.db2.gz LEQIAYSGCDLWSP-JCKWVBRZSA-N -1 3 384.476 3.586 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000111358350 854746144 /nfs/dbraw/zinc/74/61/44/854746144.db2.gz PCDFVURYCKHVFZ-KBPBESRZSA-N -1 3 396.871 3.520 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112631407 854763737 /nfs/dbraw/zinc/76/37/37/854763737.db2.gz DYSFOYZVICCTER-XJKSGUPXSA-N -1 3 383.245 3.577 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCOCC1 ZINC000331004971 854794102 /nfs/dbraw/zinc/79/41/02/854794102.db2.gz SBBANQZGRMKLAQ-CYBMUJFWSA-N -1 3 385.835 3.842 20 0 GHADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC001212159132 854957513 /nfs/dbraw/zinc/95/75/13/854957513.db2.gz XOBHBVIOQJNVHG-XPTSAGLGSA-N -1 3 396.734 3.584 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000589632313 855082293 /nfs/dbraw/zinc/08/22/93/855082293.db2.gz LEEAYTYKDSHJPF-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)n[n-]1 ZINC000589691582 855109419 /nfs/dbraw/zinc/10/94/19/855109419.db2.gz RLOYRNVFKQUBIX-UHFFFAOYSA-N -1 3 394.435 3.771 20 0 GHADHM CCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000589692988 855109868 /nfs/dbraw/zinc/10/98/68/855109868.db2.gz OKVRRBXXHAWHSH-ZDUSSCGKSA-N -1 3 394.393 3.751 20 0 GHADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1Oc1ccccc1 ZINC000589695865 855112613 /nfs/dbraw/zinc/11/26/13/855112613.db2.gz SVDZIHRRDHDVPC-MRXNPFEDSA-N -1 3 390.439 3.792 20 0 GHADHM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cc(Br)ccc1Cl ZINC000006221077 855115489 /nfs/dbraw/zinc/11/54/89/855115489.db2.gz RPCXIHWAJDQAAF-UHFFFAOYSA-N -1 3 388.048 3.831 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)[n-]1 ZINC000589716024 855122680 /nfs/dbraw/zinc/12/26/80/855122680.db2.gz HZGDVYLHSLVXMU-SECBINFHSA-N -1 3 398.232 3.620 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c[n-]1 ZINC000589716024 855122684 /nfs/dbraw/zinc/12/26/84/855122684.db2.gz HZGDVYLHSLVXMU-SECBINFHSA-N -1 3 398.232 3.620 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(Cc2ccccc2)n1 ZINC000054235920 855131644 /nfs/dbraw/zinc/13/16/44/855131644.db2.gz YFOVTPYRKICKFG-UHFFFAOYSA-N -1 3 375.457 3.626 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)CSC(F)(F)F)c(C(=O)OCC)[n-]1 ZINC001128073381 855229572 /nfs/dbraw/zinc/22/95/72/855229572.db2.gz FOOIOHXXUVKSPA-VIFPVBQESA-N -1 3 381.420 3.757 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2c(C)nn3cccnc23)s1)c1ccccc1 ZINC000106719915 855286873 /nfs/dbraw/zinc/28/68/73/855286873.db2.gz GVEYQSQDIRMVAE-CQSZACIVSA-N -1 3 378.461 3.683 20 0 GHADHM CCOc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Br ZINC000190365428 855303963 /nfs/dbraw/zinc/30/39/63/855303963.db2.gz SZBAESOMWBZQRG-UHFFFAOYSA-N -1 3 387.233 3.942 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000190408075 855314884 /nfs/dbraw/zinc/31/48/84/855314884.db2.gz IBTPQHYMRMBNOG-INIZCTEOSA-N -1 3 390.524 3.586 20 0 GHADHM Cc1cccc(CO[N-]C(=O)CCCC(=O)c2ccc(Br)cc2)n1 ZINC001168635147 855335076 /nfs/dbraw/zinc/33/50/76/855335076.db2.gz ZHNMBIIKBUNEAR-UHFFFAOYSA-N -1 3 391.265 3.754 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Oc4ccccc4Cl)C3)nc2)n1 ZINC000131787902 855390368 /nfs/dbraw/zinc/39/03/68/855390368.db2.gz OAHVGIBHUANIJL-INIZCTEOSA-N -1 3 396.878 3.705 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1c(Cl)cccc1Cl ZINC000056140385 855481465 /nfs/dbraw/zinc/48/14/65/855481465.db2.gz MAJCLDONWNHSOH-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)c1Cl ZINC000181133462 855534957 /nfs/dbraw/zinc/53/49/57/855534957.db2.gz SJZLLLXHITYXHQ-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM CC(C)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000029003867 855537270 /nfs/dbraw/zinc/53/72/70/855537270.db2.gz XECLFKAAVQPDFI-UHFFFAOYSA-N -1 3 376.453 3.642 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H]1C ZINC000053086388 855565179 /nfs/dbraw/zinc/56/51/79/855565179.db2.gz MISLTURNLYNYGB-IOASZLSFSA-N -1 3 393.484 3.509 20 0 GHADHM CCCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000022265615 855695067 /nfs/dbraw/zinc/69/50/67/855695067.db2.gz RLTSQPKENYOFGK-UHFFFAOYSA-N -1 3 390.505 3.677 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000591093403 855757866 /nfs/dbraw/zinc/75/78/66/855757866.db2.gz XPMMRVUXWMMTFX-UHFFFAOYSA-N -1 3 388.379 3.623 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482114723 862717785 /nfs/dbraw/zinc/71/77/85/862717785.db2.gz QLXCQVAYXSZWKE-NSHDSACASA-N -1 3 385.331 3.514 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(F)cc(C(=O)OC)c1F ZINC000619464077 855788361 /nfs/dbraw/zinc/78/83/61/855788361.db2.gz RHUPFCLXIBNJSG-UHFFFAOYSA-N -1 3 383.416 3.677 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1)c1ccccc1 ZINC000591177795 855791254 /nfs/dbraw/zinc/79/12/54/855791254.db2.gz RJHDUMMJSRGYKU-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1)c1ccccc1 ZINC000591177795 855791262 /nfs/dbraw/zinc/79/12/62/855791262.db2.gz RJHDUMMJSRGYKU-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000101570185 855875778 /nfs/dbraw/zinc/87/57/78/855875778.db2.gz CSZYALJWWWTTME-GHMZBOCLSA-N -1 3 399.818 3.526 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)C2)cc1Cl ZINC000591390177 855943501 /nfs/dbraw/zinc/94/35/01/855943501.db2.gz HUIFOBDTVVAINS-STQMWFEESA-N -1 3 390.908 3.931 20 0 GHADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000591391910 855947464 /nfs/dbraw/zinc/94/74/64/855947464.db2.gz MWFUUSIMOHACHU-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2csc(C(C)(C)C)n2)n[n-]1 ZINC000895105415 856041398 /nfs/dbraw/zinc/04/13/98/856041398.db2.gz SNUZUOUTMQOZBH-CYBMUJFWSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2csc(C(C)(C)C)n2)[n-]1 ZINC000895105415 856041414 /nfs/dbraw/zinc/04/14/14/856041414.db2.gz SNUZUOUTMQOZBH-CYBMUJFWSA-N -1 3 379.530 3.612 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cn1 ZINC000509221265 856087453 /nfs/dbraw/zinc/08/74/53/856087453.db2.gz YFPFHSALKCYBFP-ZDUSSCGKSA-N -1 3 396.337 3.573 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccsc1 ZINC000030435394 856105176 /nfs/dbraw/zinc/10/51/76/856105176.db2.gz HVNVPXJTSNFRBU-GFCCVEGCSA-N -1 3 378.972 3.824 20 0 GHADHM CCN(C)C(=O)c1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485129207 856127642 /nfs/dbraw/zinc/12/76/42/856127642.db2.gz HRLMGIAXCDJJFB-UHFFFAOYSA-N -1 3 389.415 3.562 20 0 GHADHM CCN(C)C(=O)c1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485129207 856127647 /nfs/dbraw/zinc/12/76/47/856127647.db2.gz HRLMGIAXCDJJFB-UHFFFAOYSA-N -1 3 389.415 3.562 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c(OC)c1 ZINC000905082850 856141824 /nfs/dbraw/zinc/14/18/24/856141824.db2.gz XWEWSAHJJSHWQY-UHFFFAOYSA-N -1 3 379.438 3.760 20 0 GHADHM C[C@H]1CCN(c2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)ccn2)C1 ZINC000485137320 856148662 /nfs/dbraw/zinc/14/86/62/856148662.db2.gz WHMCZUFDALEBAB-ZDUSSCGKSA-N -1 3 388.431 3.711 20 0 GHADHM C[C@H]1CCN(c2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)ccn2)C1 ZINC000485137320 856148667 /nfs/dbraw/zinc/14/86/67/856148667.db2.gz WHMCZUFDALEBAB-ZDUSSCGKSA-N -1 3 388.431 3.711 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000573618639 856319486 /nfs/dbraw/zinc/31/94/86/856319486.db2.gz VQQATIHNIHLZNW-UHFFFAOYSA-N -1 3 396.465 3.666 20 0 GHADHM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)Cc1cn2ccsc2n1 ZINC000573733805 856460126 /nfs/dbraw/zinc/46/01/26/856460126.db2.gz MMRBOIRPAHSNEH-UHFFFAOYSA-N -1 3 384.288 3.832 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1C(=O)NC(C)C ZINC000485405425 856463140 /nfs/dbraw/zinc/46/31/40/856463140.db2.gz ZGAMUHUIWSTJGP-UHFFFAOYSA-N -1 3 378.469 3.690 20 0 GHADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000138311564 856479783 /nfs/dbraw/zinc/47/97/83/856479783.db2.gz ODAXNEFAVUNVIQ-KBPBESRZSA-N -1 3 376.453 3.640 20 0 GHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000482208516 862809328 /nfs/dbraw/zinc/80/93/28/862809328.db2.gz JOWWPYCLAGSNKW-UHFFFAOYSA-N -1 3 389.381 3.796 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]4C[C@H]43)c2)cc1 ZINC000672134551 856556391 /nfs/dbraw/zinc/55/63/91/856556391.db2.gz HETRNFBMAALULL-OXJNMPFZSA-N -1 3 384.501 3.729 20 0 GHADHM C[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135643 856673946 /nfs/dbraw/zinc/67/39/46/856673946.db2.gz QXLXPGHKSRYBKB-DZGCQCFKSA-N -1 3 397.475 3.881 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCc2ccccc2C1 ZINC000485496774 856681910 /nfs/dbraw/zinc/68/19/10/856681910.db2.gz UGTNJYCEAVDMEI-OAHLLOKOSA-N -1 3 375.266 3.511 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000110883614 856695898 /nfs/dbraw/zinc/69/58/98/856695898.db2.gz LUAVIUSQNNKVJP-INIZCTEOSA-N -1 3 399.466 3.768 20 0 GHADHM Cc1cccc(OCCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1C ZINC000031484462 856755264 /nfs/dbraw/zinc/75/52/64/856755264.db2.gz MDYVABKORQZSON-UHFFFAOYSA-N -1 3 381.259 3.840 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c1Cl ZINC000427835214 856802052 /nfs/dbraw/zinc/80/20/52/856802052.db2.gz LVXCLBNEACUUJW-AWEZNQCLSA-N -1 3 388.316 3.746 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000508020637 856820381 /nfs/dbraw/zinc/82/03/81/856820381.db2.gz AJOCCMCOJRRQBM-HNNXBMFYSA-N -1 3 391.411 3.991 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1ccco1 ZINC000508022811 856825611 /nfs/dbraw/zinc/82/56/11/856825611.db2.gz KSRASAKIOJLVFZ-LJQANCHMSA-N -1 3 377.506 3.851 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccccc2Cl)n1 ZINC000482243347 862847007 /nfs/dbraw/zinc/84/70/07/862847007.db2.gz LJEBCPQVNGBQJW-UHFFFAOYSA-N -1 3 387.774 3.530 20 0 GHADHM CCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000485617421 856840906 /nfs/dbraw/zinc/84/09/06/856840906.db2.gz CUIFVVYLKGDOSL-UHFFFAOYSA-N -1 3 379.254 3.553 20 0 GHADHM Cc1cc(Cc2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)ccc1Br ZINC000906116241 856843171 /nfs/dbraw/zinc/84/31/71/856843171.db2.gz UEXZGEHXYPTDBS-UHFFFAOYSA-N -1 3 387.237 3.771 20 0 GHADHM Cc1cccc(C)c1NC(=O)CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000046556813 856871959 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CCc1c(NC(=O)c2cccc(Br)c2[O-])[nH]nc1-c1ccncc1 ZINC000592850577 857109847 /nfs/dbraw/zinc/10/98/47/857109847.db2.gz DOTSHEIQYRPQOT-UHFFFAOYSA-N -1 3 387.237 3.755 20 0 GHADHM COc1ccccc1CCN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906572235 857176178 /nfs/dbraw/zinc/17/61/78/857176178.db2.gz FZALBEMQTXECNR-UHFFFAOYSA-N -1 3 391.493 3.813 20 0 GHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000281188011 862883813 /nfs/dbraw/zinc/88/38/13/862883813.db2.gz RAOZBTAWVYPGRI-CMDGGOBGSA-N -1 3 384.299 3.719 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000672383697 857224883 /nfs/dbraw/zinc/22/48/83/857224883.db2.gz NUKDJMWDMSCAGP-SECBINFHSA-N -1 3 393.456 3.894 20 0 GHADHM Nc1ccc(S(=O)(=O)N(CCc2ccccc2)c2cccc([O-])c2F)cc1 ZINC001212550617 857316030 /nfs/dbraw/zinc/31/60/30/857316030.db2.gz WFVRAXYPKBFBIT-UHFFFAOYSA-N -1 3 386.448 3.552 20 0 GHADHM COc1ccc(/C=C2/N=C(c3ccsc3)OC2=O)c(Br)c1[O-] ZINC000761013663 857327878 /nfs/dbraw/zinc/32/78/78/857327878.db2.gz 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O=C(NCCNC(=O)c1ccc(OCC2CCCCC2)cc1)c1ccc([O-])cc1 ZINC000065072349 857768670 /nfs/dbraw/zinc/76/86/70/857768670.db2.gz IVMKUYKEJLJQON-UHFFFAOYSA-N -1 3 396.487 3.511 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccccn1 ZINC001212482779 857786088 /nfs/dbraw/zinc/78/60/88/857786088.db2.gz JSMAJHDWIAIEGW-SNVBAGLBSA-N -1 3 389.702 3.580 20 0 GHADHM COC(=O)Cc1sc(NC(=O)c2ccc(C)cc2[O-])nc1-c1ccccc1 ZINC000065430661 857794127 /nfs/dbraw/zinc/79/41/27/857794127.db2.gz HOBPYYYDNHOJQJ-UHFFFAOYSA-N -1 3 382.441 3.792 20 0 GHADHM CN(C(=O)CN1CCC[C@H](CC(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000676232590 857797195 /nfs/dbraw/zinc/79/71/95/857797195.db2.gz DHRLKIRFHSYNEO-HXOBKFHXSA-N -1 3 398.478 3.560 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281312899 862955040 /nfs/dbraw/zinc/95/50/40/862955040.db2.gz IFEMHDCEYUSURV-UWVGGRQHSA-N -1 3 391.827 3.665 20 0 GHADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000672889258 857835050 /nfs/dbraw/zinc/83/50/50/857835050.db2.gz AGOANZAIOYVCER-UHFFFAOYSA-N -1 3 378.185 3.598 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)c2cccs2)cc1OC ZINC000065801004 857852577 /nfs/dbraw/zinc/85/25/77/857852577.db2.gz CYDBDQHQRMYXSI-GFCCVEGCSA-N -1 3 397.522 3.743 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000908125415 857927212 /nfs/dbraw/zinc/92/72/12/857927212.db2.gz QDVBYGWAPJMXKV-UHFFFAOYSA-N -1 3 375.831 3.905 20 0 GHADHM CN1CC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000281339274 862980230 /nfs/dbraw/zinc/98/02/30/862980230.db2.gz UPOBLOXBOLPFBV-ADLMAVQZSA-N -1 3 398.812 3.886 20 0 GHADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442737161 858082544 /nfs/dbraw/zinc/08/25/44/858082544.db2.gz MWQYOQFBXDPOQA-GFCCVEGCSA-N -1 3 390.452 3.950 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC(C)(C)C2)cc1Cl ZINC000442744720 858105686 /nfs/dbraw/zinc/10/56/86/858105686.db2.gz IDMQPLNGAAHVGA-LLVKDONJSA-N -1 3 376.881 3.685 20 0 GHADHM CCOC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)nc1C ZINC000066413045 858112245 /nfs/dbraw/zinc/11/22/45/858112245.db2.gz IIEVEDLWEQIBTP-UHFFFAOYSA-N -1 3 388.474 3.707 20 0 GHADHM CC(C)(C)CCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000442786785 858125731 /nfs/dbraw/zinc/12/57/31/858125731.db2.gz ZXYWYLSBFIRRMF-LJQANCHMSA-N -1 3 388.533 3.592 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cc(Cl)ccc1Cl ZINC000442796450 858140134 /nfs/dbraw/zinc/14/01/34/858140134.db2.gz VVBQAXOWGGELIV-ZDUSSCGKSA-N -1 3 376.236 3.935 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc(C(F)(F)F)ccc1F ZINC000521665922 858226504 /nfs/dbraw/zinc/22/65/04/858226504.db2.gz KQGLPABUUFFYNG-AWEZNQCLSA-N -1 3 377.334 3.949 20 0 GHADHM O=C([N-]C12CC(C(=O)Nc3ccc4ccccc4n3)(C1)C2)C(Cl)(Cl)Cl ZINC001271272895 863011291 /nfs/dbraw/zinc/01/12/91/863011291.db2.gz ZXOCKVSLTARUFB-UHFFFAOYSA-N -1 3 398.677 3.582 20 0 GHADHM CN(CC1CCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000521799061 858340592 /nfs/dbraw/zinc/34/05/92/858340592.db2.gz OWSGKOLAUUJGJK-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000443108536 858364824 /nfs/dbraw/zinc/36/48/24/858364824.db2.gz NEMLBVHNZQXZQR-AWEZNQCLSA-N -1 3 397.905 3.642 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(Br)c(Cl)c3)n[n-]2)o1 ZINC000682608654 858382646 /nfs/dbraw/zinc/38/26/46/858382646.db2.gz NWSHSFDWHDUYGG-UHFFFAOYSA-N -1 3 395.644 3.970 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@H](C)CC2)cc1OC ZINC000443162548 858415950 /nfs/dbraw/zinc/41/59/50/858415950.db2.gz RCLVHNIGARHLMF-KBPBESRZSA-N -1 3 383.514 3.547 20 0 GHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)no1 ZINC000443157116 858430095 /nfs/dbraw/zinc/43/00/95/858430095.db2.gz XJPHPBXQTXTNMQ-UHFFFAOYSA-N -1 3 383.857 3.554 20 0 GHADHM CCSC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000595351357 858515657 /nfs/dbraw/zinc/51/56/57/858515657.db2.gz SADOPMMUPJZZNA-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000443325532 858568224 /nfs/dbraw/zinc/56/82/24/858568224.db2.gz XJBFSYBSLFZYIY-QGZVFWFLSA-N -1 3 388.895 3.791 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1ccc2c(c1)CCO2 ZINC000443416500 858651057 /nfs/dbraw/zinc/65/10/57/858651057.db2.gz KVDOIANNAWVJNP-UHFFFAOYSA-N -1 3 391.342 3.503 20 0 GHADHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000482652945 858734380 /nfs/dbraw/zinc/73/43/80/858734380.db2.gz DRJIVKKLNHJMNB-SNVBAGLBSA-N -1 3 399.235 3.863 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(C)n3)cc2)cc1 ZINC000071840436 858734745 /nfs/dbraw/zinc/73/47/45/858734745.db2.gz WGIWIWHKAKMGNX-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(CCC(F)(F)F)c1 ZINC000183781623 858818409 /nfs/dbraw/zinc/81/84/09/858818409.db2.gz GGMTVCSOLYXIOQ-UHFFFAOYSA-N -1 3 378.148 3.556 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)n[n-]1 ZINC000895239776 858860749 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20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001141745125 858958010 /nfs/dbraw/zinc/95/80/10/858958010.db2.gz XIGUUATUWJFKDT-MRXNPFEDSA-N -1 3 397.349 3.513 20 0 GHADHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000184594455 858967886 /nfs/dbraw/zinc/96/78/86/858967886.db2.gz FVGGOQPHMRENKA-UHFFFAOYSA-N -1 3 380.452 3.545 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c(CN(C)C)c1 ZINC000120327044 881384590 /nfs/dbraw/zinc/38/45/90/881384590.db2.gz OUHQHMLXRJCLLR-UHFFFAOYSA-N -1 3 397.338 3.928 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738409084 859249328 /nfs/dbraw/zinc/24/93/28/859249328.db2.gz PTZQJKIJUVRKFF-UKRRQHHQSA-N -1 3 376.917 3.775 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738409084 859249338 /nfs/dbraw/zinc/24/93/38/859249338.db2.gz PTZQJKIJUVRKFF-UKRRQHHQSA-N -1 3 376.917 3.775 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000923468601 859345510 /nfs/dbraw/zinc/34/55/10/859345510.db2.gz YAVNRWDBZCTWMS-SGTLLEGYSA-N -1 3 387.307 3.747 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c(C)c1C ZINC000117228335 859355584 /nfs/dbraw/zinc/35/55/84/859355584.db2.gz VIUSDLOSZSGVOR-UHFFFAOYSA-N -1 3 388.489 3.770 20 0 GHADHM CC[C@H](CC(F)(F)F)N=c1cc(N[C@@H](CC)CC(F)(F)F)n2[n-]cnc2n1 ZINC000480118234 859384367 /nfs/dbraw/zinc/38/43/67/859384367.db2.gz OBLHBCZREVWVTK-ZJUUUORDSA-N -1 3 398.355 3.832 20 0 GHADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000117318415 859392190 /nfs/dbraw/zinc/39/21/90/859392190.db2.gz LCOBDYCFKOGREM-NEPJUHHUSA-N -1 3 395.322 3.695 20 0 GHADHM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1c[n-]c2ccccc2c1=O ZINC000113915385 859427792 /nfs/dbraw/zinc/42/77/92/859427792.db2.gz ACZSLCXPBUGLOD-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509434951 859437174 /nfs/dbraw/zinc/43/71/74/859437174.db2.gz FQXBMQPCFQEYNU-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@H]1c1ccccc1 ZINC000483569768 859466552 /nfs/dbraw/zinc/46/65/52/859466552.db2.gz QGGXZLGKYUCTTG-TZMCWYRMSA-N -1 3 381.402 3.549 20 0 GHADHM Cc1cc(CCCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(C)s1 ZINC000673505608 859614513 /nfs/dbraw/zinc/61/45/13/859614513.db2.gz PNACJFWMMUDYFO-KBPBESRZSA-N -1 3 389.521 3.568 20 0 GHADHM C[C@@H](COc1ccccc1)C(=O)Nc1cc(I)ccc1[O-] ZINC000611156362 859623718 /nfs/dbraw/zinc/62/37/18/859623718.db2.gz CVFJGAGSXXEXFR-NSHDSACASA-N -1 3 397.212 3.650 20 0 GHADHM CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C(C)C)cc1 ZINC000069693139 859640169 /nfs/dbraw/zinc/64/01/69/859640169.db2.gz KEYDNHUGTRECHS-GOSISDBHSA-N -1 3 390.867 3.837 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000466484127 859707895 /nfs/dbraw/zinc/70/78/95/859707895.db2.gz ZSTNVKJHOUXPNT-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN([C@H](C)c4ccsc4)CC3)cc(=O)oc12 ZINC000765078645 859778061 /nfs/dbraw/zinc/77/80/61/859778061.db2.gz NUXLOEAQFWSNFA-OAHLLOKOSA-N -1 3 384.501 3.747 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](Cc4nccs4)C3)nc2)n1 ZINC000895686426 859799675 /nfs/dbraw/zinc/79/96/75/859799675.db2.gz ZPAVXLLUAPPFTQ-AWEZNQCLSA-N -1 3 381.505 3.722 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CC3(Cl)Cl)s2)cs1 ZINC000765166339 859815682 /nfs/dbraw/zinc/81/56/82/859815682.db2.gz JCMBVFKWVYASGT-QMMMGPOBSA-N -1 3 383.347 3.652 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1OC(F)F ZINC000114800674 859929755 /nfs/dbraw/zinc/92/97/55/859929755.db2.gz KMDWEIXVJHAJGR-HNNXBMFYSA-N -1 3 390.386 3.545 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cc2cccc(F)c2o1 ZINC000474387749 859976493 /nfs/dbraw/zinc/97/64/93/859976493.db2.gz HMBSICOFFDNKBK-MRVPVSSYSA-N -1 3 388.214 3.967 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)ccc1OC(C)C ZINC000484462604 860019623 /nfs/dbraw/zinc/01/96/23/860019623.db2.gz YDUMBMLBKHXEGV-ZDUSSCGKSA-N -1 3 389.448 3.696 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436541771 860032509 /nfs/dbraw/zinc/03/25/09/860032509.db2.gz ZYSRTJVPWOJKJS-AWEZNQCLSA-N -1 3 396.443 3.696 20 0 GHADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436549330 860066942 /nfs/dbraw/zinc/06/69/42/860066942.db2.gz OZIRHJSEZKHGDY-UHFFFAOYSA-N -1 3 392.249 3.934 20 0 GHADHM Cc1ccc(C)c(Oc2cccc(Cl)c2CNCC[C@H](O)C(=O)[O-])c1C ZINC000904053460 860073052 /nfs/dbraw/zinc/07/30/52/860073052.db2.gz MRVWNUJPMPXTMV-KRWDZBQOSA-N -1 3 377.868 3.983 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC1CC(CC(=O)[O-])C1 ZINC000904062267 860083172 /nfs/dbraw/zinc/08/31/72/860083172.db2.gz FSEOLPZNRJOANL-UHFFFAOYSA-N -1 3 382.291 3.890 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1F ZINC000525924401 860134680 /nfs/dbraw/zinc/13/46/80/860134680.db2.gz TUCBUSCXFCRSOI-HXUWFJFHSA-N -1 3 375.403 3.937 20 0 GHADHM COc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)c(OC)c1OC ZINC000526857528 860161475 /nfs/dbraw/zinc/16/14/75/860161475.db2.gz GPQAIIAJWKBWHX-UHFFFAOYSA-N -1 3 381.428 3.544 20 0 GHADHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527446872 860179516 /nfs/dbraw/zinc/17/95/16/860179516.db2.gz ZSIZNTZHUUVUMG-AWEZNQCLSA-N -1 3 383.469 3.782 20 0 GHADHM Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000280955538 860181600 /nfs/dbraw/zinc/18/16/00/860181600.db2.gz XTLOQCVGCSTMDG-UHFFFAOYSA-N -1 3 388.467 3.888 20 0 GHADHM Cc1c(NC=C2C(=O)[N-]C(=O)c3ccccc32)cccc1OCC(F)(F)F ZINC000727720487 860201514 /nfs/dbraw/zinc/20/15/14/860201514.db2.gz PAWFQKJJVSYBQB-NTEUORMPSA-N -1 3 376.334 3.659 20 0 GHADHM COC(=O)c1sc2[n-]c(CSCc3cccc(OC)c3)nc(=O)c2c1C ZINC000019222906 860211405 /nfs/dbraw/zinc/21/14/05/860211405.db2.gz HTCKWHUYTKZICX-UHFFFAOYSA-N -1 3 390.486 3.522 20 0 GHADHM CCc1sc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000020501242 860217089 /nfs/dbraw/zinc/21/70/89/860217089.db2.gz OKCPZCLYMGKSIC-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CCc1sc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000020501242 860217103 /nfs/dbraw/zinc/21/71/03/860217103.db2.gz OKCPZCLYMGKSIC-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM COc1cccc(C2CCN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CC2)c1 ZINC000904191885 860217872 /nfs/dbraw/zinc/21/78/72/860217872.db2.gz RAMPSLNIICJUTP-UHFFFAOYSA-N -1 3 398.503 3.969 20 0 GHADHM C[C@H](C1CC1)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000602744443 860233334 /nfs/dbraw/zinc/23/33/34/860233334.db2.gz PWYFFHSZUJJZLQ-SNVBAGLBSA-N -1 3 375.266 3.694 20 0 GHADHM C[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000904220643 860243327 /nfs/dbraw/zinc/24/33/27/860243327.db2.gz TYPLMYUILNXXTC-WIEQDCTASA-N -1 3 384.476 3.623 20 0 GHADHM CCOc1cc(Br)c(CC(=O)Nc2ncccc2[O-])cc1OCC ZINC000021901837 860247629 /nfs/dbraw/zinc/24/76/29/860247629.db2.gz QDRRFBKIYGAMNE-UHFFFAOYSA-N -1 3 395.253 3.528 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H]1c1ccccc1 ZINC000602753335 860257709 /nfs/dbraw/zinc/25/77/09/860257709.db2.gz IZRWPLVPODDPQR-KRWDZBQOSA-N -1 3 383.245 3.878 20 0 GHADHM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436566715 860365404 /nfs/dbraw/zinc/36/54/04/860365404.db2.gz YBDIMMQWINJYLO-UHFFFAOYSA-N -1 3 390.395 3.934 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c[n-]c12 ZINC000155341776 860485166 /nfs/dbraw/zinc/48/51/66/860485166.db2.gz UBETXQDFUHBCCP-UHFFFAOYSA-N -1 3 379.391 3.576 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000265883082 860489485 /nfs/dbraw/zinc/48/94/85/860489485.db2.gz LVKASTMYTAEKCT-CQSZACIVSA-N -1 3 390.461 3.621 20 0 GHADHM COc1ccc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nn1 ZINC000509001375 860503041 /nfs/dbraw/zinc/50/30/41/860503041.db2.gz VZVLYOSASCUIEZ-UHFFFAOYSA-N -1 3 386.458 3.889 20 0 GHADHM Cc1ncc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)cn1 ZINC000671654851 860554510 /nfs/dbraw/zinc/55/45/10/860554510.db2.gz MWXCXKXJIFTBPL-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(Cl)c1 ZINC000484996746 860577872 /nfs/dbraw/zinc/57/78/72/860577872.db2.gz YIQBGMDUQSGDKO-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000028260595 860589102 /nfs/dbraw/zinc/58/91/02/860589102.db2.gz LTNSRJZQNWCFBF-UHFFFAOYSA-N -1 3 389.473 3.970 20 0 GHADHM COc1cc(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000474668479 860599481 /nfs/dbraw/zinc/59/94/81/860599481.db2.gz BUUPNBKTANOBPA-RBUKOAKNSA-N -1 3 385.460 3.523 20 0 GHADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cs1 ZINC000102413011 860665273 /nfs/dbraw/zinc/66/52/73/860665273.db2.gz CNMVOAZQDPTBTO-UHFFFAOYSA-N -1 3 395.369 3.612 20 0 GHADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]2CCCC[C@@H]12 ZINC000598910870 860668998 /nfs/dbraw/zinc/66/89/98/860668998.db2.gz XUOSVJWPJUQVHB-ARFHVFGLSA-N -1 3 385.382 3.605 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000329019893 860952132 /nfs/dbraw/zinc/95/21/32/860952132.db2.gz SEQKLJHNZIOJLR-GOSISDBHSA-N -1 3 392.463 3.867 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCC[C@@H](C)C1 ZINC000730363896 861052324 /nfs/dbraw/zinc/05/23/24/861052324.db2.gz GOROERSXGGNVGC-MLGOLLRUSA-N -1 3 398.297 3.595 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Cl ZINC000474845136 861059304 /nfs/dbraw/zinc/05/93/04/861059304.db2.gz XRZMMHAFYSVWAE-UHFFFAOYSA-N -1 3 376.844 3.652 20 0 GHADHM C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)NCCC1=CCCCC1 ZINC000730363623 861072620 /nfs/dbraw/zinc/07/26/20/861072620.db2.gz CGDOSAVSBQIRFC-LBPRGKRZSA-N -1 3 396.281 3.707 20 0 GHADHM COc1ccc(C)cc1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364444 861075198 /nfs/dbraw/zinc/07/51/98/861075198.db2.gz GAPXHZVWMBJXLE-UHFFFAOYSA-N -1 3 379.206 3.511 20 0 GHADHM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])c1 ZINC000730364889 861075624 /nfs/dbraw/zinc/07/56/24/861075624.db2.gz KLBDAVMUQHRVGD-NSHDSACASA-N -1 3 378.222 3.647 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OC)c(NC(C)=O)c1 ZINC000605496799 863118308 /nfs/dbraw/zinc/11/83/08/863118308.db2.gz VSBDBRSOBBGKRP-UHFFFAOYSA-N -1 3 376.478 3.579 20 0 GHADHM Cc1occc1CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444016876 863157431 /nfs/dbraw/zinc/15/74/31/863157431.db2.gz BWTHCWMLVUPGEH-UHFFFAOYSA-N -1 3 380.322 3.600 20 0 GHADHM CCCc1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000062267713 863166301 /nfs/dbraw/zinc/16/63/01/863166301.db2.gz CHGQLOUIWMTOPP-UHFFFAOYSA-N -1 3 379.229 3.616 20 0 GHADHM CC(C)c1noc(=NCc2ccccc2CN2CCN(c3ccccc3)CC2)[n-]1 ZINC000605691173 863233913 /nfs/dbraw/zinc/23/39/13/863233913.db2.gz XMUSITAVQUJEPC-UHFFFAOYSA-N -1 3 391.519 3.549 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000444059765 863237546 /nfs/dbraw/zinc/23/75/46/863237546.db2.gz VUOXFJVDZVAMBL-LBPRGKRZSA-N -1 3 386.233 3.767 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282596607 863252146 /nfs/dbraw/zinc/25/21/46/863252146.db2.gz XONACLWRQNZEPS-LBPRGKRZSA-N -1 3 385.430 3.983 20 0 GHADHM CCO[C@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)C1CCCC1 ZINC000482584161 863343221 /nfs/dbraw/zinc/34/32/21/863343221.db2.gz INZJCFJVHHBNLL-QGZVFWFLSA-N -1 3 399.329 3.939 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000482614923 863384345 /nfs/dbraw/zinc/38/43/45/863384345.db2.gz HUSMWJFVHBDYBP-NSHDSACASA-N -1 3 381.270 3.877 20 0 GHADHM Cc1ccc(Cl)cc1N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606714734 863797946 /nfs/dbraw/zinc/79/79/46/863797946.db2.gz DNWGJUOTLFOBHQ-UHFFFAOYSA-N -1 3 377.847 3.525 20 0 GHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000606752494 863819131 /nfs/dbraw/zinc/81/91/31/863819131.db2.gz PRMJSAKDEQIXNT-UHFFFAOYSA-N -1 3 380.267 3.514 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)ns1 ZINC000444304850 863848715 /nfs/dbraw/zinc/84/87/15/863848715.db2.gz HICGOMSEFLMSLM-UHFFFAOYSA-N -1 3 397.685 3.932 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1C ZINC000606826543 863859950 /nfs/dbraw/zinc/85/99/50/863859950.db2.gz IBQPLEQNYIYNAR-IBGZPJMESA-N -1 3 375.490 3.889 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccc(Cl)s1 ZINC000734001750 863911739 /nfs/dbraw/zinc/91/17/39/863911739.db2.gz DCHVJXRYWSZWKE-LLVKDONJSA-N -1 3 391.873 3.757 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2cc3c(cc2Br)OCCCO3)n1 ZINC000776896991 881709412 /nfs/dbraw/zinc/70/94/12/881709412.db2.gz CKYXOAYJGBXJOG-UHFFFAOYSA-N -1 3 397.294 3.848 20 0 GHADHM CCN(Cc1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1)C1CC1 ZINC000522998544 864068129 /nfs/dbraw/zinc/06/81/29/864068129.db2.gz WQCUWXZEOJXJCP-UHFFFAOYSA-N -1 3 384.530 3.925 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC[C@H](C(C)(C)C)C[C@H]3C)nc(=O)c2c1C ZINC000554310885 864111939 /nfs/dbraw/zinc/11/19/39/864111939.db2.gz JVQZEHNNHBPEIL-YPMHNXCESA-N -1 3 391.537 3.726 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(SC)cc2)[nH][n-]1 ZINC000607189900 864152898 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ZINC000179761687 866377573 /nfs/dbraw/zinc/37/75/73/866377573.db2.gz LXFIREDHCZIMNS-CQSZACIVSA-N -1 3 389.883 3.673 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000741318638 866390596 /nfs/dbraw/zinc/39/05/96/866390596.db2.gz DJIITZRFAVRIQK-OAHLLOKOSA-N -1 3 394.427 3.780 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000534265144 866430337 /nfs/dbraw/zinc/43/03/37/866430337.db2.gz NXEQCBTVZFQNTO-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccco1 ZINC000475587190 866455035 /nfs/dbraw/zinc/45/50/35/866455035.db2.gz ITLDEPSDWPKUOH-OAHLLOKOSA-N -1 3 380.491 3.582 20 0 GHADHM COc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(Cl)cc1Br ZINC000620159889 866469452 /nfs/dbraw/zinc/46/94/52/866469452.db2.gz HRHCLXMWHJVYBI-UHFFFAOYSA-N -1 3 398.644 3.736 20 0 GHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000152475792 866480317 /nfs/dbraw/zinc/48/03/17/866480317.db2.gz CIUIQOMEWXVXPM-UHFFFAOYSA-N -1 3 395.484 3.605 20 0 GHADHM COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CCC(=O)N2C)cc1 ZINC000153479968 866510468 /nfs/dbraw/zinc/51/04/68/866510468.db2.gz DFCYMKVUVSVKFH-HNAYVOBHSA-N -1 3 388.851 3.602 20 0 GHADHM N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000121457149 866518390 /nfs/dbraw/zinc/51/83/90/866518390.db2.gz COYUXFRGJCSPAO-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000121457149 866518406 /nfs/dbraw/zinc/51/84/06/866518406.db2.gz COYUXFRGJCSPAO-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000189724302 881987852 /nfs/dbraw/zinc/98/78/52/881987852.db2.gz RXTDPOGGQAVCOK-SNVBAGLBSA-N -1 3 397.244 3.863 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000478758319 866623167 /nfs/dbraw/zinc/62/31/67/866623167.db2.gz DQXGDSGCHMDAMX-OAHLLOKOSA-N -1 3 388.258 3.919 20 0 GHADHM Cc1ccc(N2CC[C@@H]([N-]C(=O)C(F)(F)c3cccc(Cl)c3)C2=O)cc1 ZINC000741622843 866645114 /nfs/dbraw/zinc/64/51/14/866645114.db2.gz SNTMVYOGEAQDRH-MRXNPFEDSA-N -1 3 378.806 3.662 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccco1 ZINC000152735099 866750790 /nfs/dbraw/zinc/75/07/90/866750790.db2.gz MEBVHKUTHJPQPL-FQEVSTJZSA-N -1 3 385.441 3.559 20 0 GHADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000444553498 866867176 /nfs/dbraw/zinc/86/71/76/866867176.db2.gz VLVWXAQTJBRYFL-UHFFFAOYSA-N -1 3 384.476 3.967 20 0 GHADHM COc1ccc(-c2ccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)cc2)cc1 ZINC000742027109 867017331 /nfs/dbraw/zinc/01/73/31/867017331.db2.gz RYLXMZNFFZCRED-PXLXIMEGSA-N -1 3 384.435 3.763 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000153700005 867031856 /nfs/dbraw/zinc/03/18/56/867031856.db2.gz IQECEOSNZJOMKS-QGZVFWFLSA-N -1 3 394.374 3.979 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC(c2ccsc2)CC1 ZINC000640296540 882042194 /nfs/dbraw/zinc/04/21/94/882042194.db2.gz OMEDEHFPVYUEEY-UHFFFAOYSA-N 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ZINC000523424189 867295942 /nfs/dbraw/zinc/29/59/42/867295942.db2.gz AXIBMQZOYKJEFV-UHFFFAOYSA-N -1 3 388.830 3.648 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000553530011 867588661 /nfs/dbraw/zinc/58/86/61/867588661.db2.gz KJINIQSAOOPONI-OAHLLOKOSA-N -1 3 386.498 3.655 20 0 GHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(OC(F)F)cc1 ZINC000920424152 882102454 /nfs/dbraw/zinc/10/24/54/882102454.db2.gz XWKNJXKXNLSKQQ-NSHDSACASA-N -1 3 385.388 3.578 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC000479383145 867663074 /nfs/dbraw/zinc/66/30/74/867663074.db2.gz XUJQQVAJEOROIU-UHFFFAOYSA-N -1 3 393.436 3.784 20 0 GHADHM CCOC(=O)C(=Cc1cn(C)nc1Cl)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000857202165 882114739 /nfs/dbraw/zinc/11/47/39/882114739.db2.gz LFDBZXFHALZPRU-WDZFZDKYSA-N -1 3 392.868 3.504 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000479441891 867763958 /nfs/dbraw/zinc/76/39/58/867763958.db2.gz SDYCJLVHPLDCNS-SMDDNHRTSA-N -1 3 383.407 3.717 20 0 GHADHM Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(Br)cc2[O-])cnn1C ZINC000920457284 882116911 /nfs/dbraw/zinc/11/69/11/882116911.db2.gz LFJFVPIFNTYEJE-UHFFFAOYSA-N -1 3 389.253 3.548 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)n[n-]2)o1 ZINC000479462915 867807598 /nfs/dbraw/zinc/80/75/98/867807598.db2.gz DPMFIFNYQCPNPJ-SNVBAGLBSA-N -1 3 391.225 3.542 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCC[C@H](C)C2)cc1Cl ZINC000523737423 867873299 /nfs/dbraw/zinc/87/32/99/867873299.db2.gz ZDAGWTLLXSKTSE-WCQYABFASA-N -1 3 390.908 3.932 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)cc2)n1 ZINC000535037742 867959377 /nfs/dbraw/zinc/95/93/77/867959377.db2.gz NQFUVFYSQVKGCK-LJQANCHMSA-N -1 3 389.455 3.892 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)ccc2[nH]1 ZINC000533949453 868023802 /nfs/dbraw/zinc/02/38/02/868023802.db2.gz JQQINZOAZAPGJU-UHFFFAOYSA-N -1 3 386.477 3.657 20 0 GHADHM CC(C)Cn1cc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000743265468 868040347 /nfs/dbraw/zinc/04/03/47/868040347.db2.gz NSXHEAALNCDUEG-FPLPWBNLSA-N -1 3 384.299 3.714 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3cccc4c(OC)ccnc34)no2)c1 ZINC000535055996 868048339 /nfs/dbraw/zinc/04/83/39/868048339.db2.gz QDPJIVAWXNORPP-UHFFFAOYSA-N -1 3 376.372 3.554 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)c1nnc(Cc2ccccc2)[n-]1 ZINC000479668343 868295981 /nfs/dbraw/zinc/29/59/81/868295981.db2.gz VIVUDCYVDZPNNV-UHFFFAOYSA-N -1 3 382.272 3.676 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194268145 882181526 /nfs/dbraw/zinc/18/15/26/882181526.db2.gz GVTZUGKVVOEWOY-UHFFFAOYSA-N -1 3 384.867 3.854 20 0 GHADHM CC[C@@H](CC(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000457534461 868425314 /nfs/dbraw/zinc/42/53/14/868425314.db2.gz BXDQUZKJFJMBDP-QMMMGPOBSA-N -1 3 388.358 3.697 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000648432993 882221032 /nfs/dbraw/zinc/22/10/32/882221032.db2.gz OXLAMVZESJLIER-SFYZADRCSA-N -1 3 377.716 3.828 20 0 GHADHM COc1cc([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)ncn1 ZINC000157839835 868777730 /nfs/dbraw/zinc/77/77/30/868777730.db2.gz ZEWIYSSNVQJRCH-UHFFFAOYSA-N -1 3 395.202 3.611 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000158446914 868949940 /nfs/dbraw/zinc/94/99/40/868949940.db2.gz MFTFACRALFGFAM-UHFFFAOYSA-N -1 3 376.453 3.819 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)s1 ZINC000462262531 869115569 /nfs/dbraw/zinc/11/55/69/869115569.db2.gz LKJRKKXHWUDFMS-UHFFFAOYSA-N -1 3 385.308 3.779 20 0 GHADHM O=C([N-]CCNc1ncc(Cl)cc1Cl)C(F)(F)c1ccccc1F ZINC000857437991 882265862 /nfs/dbraw/zinc/26/58/62/882265862.db2.gz NUNLQGSURCWJTD-UHFFFAOYSA-N -1 3 378.181 3.848 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1ccc(Br)cn1 ZINC000462287566 869169544 /nfs/dbraw/zinc/16/95/44/869169544.db2.gz QYPCAMMWNBERRQ-INIZCTEOSA-N -1 3 381.295 3.664 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2ncc(-c3ccccc3C)o2)c([O-])c1 ZINC000744921485 869179907 /nfs/dbraw/zinc/17/99/07/869179907.db2.gz IPQIDPPGXXYHOW-UHFFFAOYSA-N -1 3 394.427 3.527 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1cc(F)c(F)c(F)c1 ZINC000462335104 869269447 /nfs/dbraw/zinc/26/94/47/869269447.db2.gz SSRNXPRNUADWFJ-UHFFFAOYSA-N -1 3 375.799 3.767 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)c1 ZINC000524585034 869278114 /nfs/dbraw/zinc/27/81/14/869278114.db2.gz DMFCQJYCODMRHG-UHFFFAOYSA-N -1 3 399.540 3.726 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000462351826 869279230 /nfs/dbraw/zinc/27/92/30/869279230.db2.gz GRNAJGNXQIHPRE-OQPBUACISA-N -1 3 379.762 3.731 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3c[nH]nc3-c3nccs3)cc2)cc(=O)[n-]1 ZINC000446111648 869392562 /nfs/dbraw/zinc/39/25/62/869392562.db2.gz BFDSSXXIFRQJLJ-UHFFFAOYSA-N -1 3 393.432 3.648 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(SC)ccc1[O-] ZINC000665921331 869469096 /nfs/dbraw/zinc/46/90/96/869469096.db2.gz DZQUYNVDZUWAKA-UHFFFAOYSA-N -1 3 388.489 3.614 20 0 GHADHM CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000524749865 869494753 /nfs/dbraw/zinc/49/47/53/869494753.db2.gz XWBGXZJJRFKHKL-MSOLQXFVSA-N -1 3 382.464 3.627 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)c1 ZINC000665924987 869681290 /nfs/dbraw/zinc/68/12/90/869681290.db2.gz JTDAKPVOMKICBD-UHFFFAOYSA-N -1 3 376.453 3.743 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)cc1[O-] ZINC000745650903 869720171 /nfs/dbraw/zinc/72/01/71/869720171.db2.gz NQQOXVHAUKOWAZ-UHFFFAOYSA-N -1 3 385.416 3.844 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nc(-c3cccs3)no2)cc1[O-] ZINC000745654611 869723558 /nfs/dbraw/zinc/72/35/58/869723558.db2.gz XYFIFBQGWKRBMB-VIFPVBQESA-N -1 3 389.389 3.600 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1OC(C)C ZINC000525009721 869878017 /nfs/dbraw/zinc/87/80/17/869878017.db2.gz FGJDMZQVLXGWJR-UHFFFAOYSA-N -1 3 377.462 3.744 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1cccc(F)c1 ZINC000462698964 869912310 /nfs/dbraw/zinc/91/23/10/869912310.db2.gz DHGSKNYHWOILQI-JTQLQIEISA-N -1 3 395.349 3.729 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1ccccc1F ZINC000462706556 869935302 /nfs/dbraw/zinc/93/53/02/869935302.db2.gz SEXUNXZGISMHAO-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1ccccc1F ZINC000462708153 869940238 /nfs/dbraw/zinc/94/02/38/869940238.db2.gz SNBPVTQEOLXRIL-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000462710322 869945240 /nfs/dbraw/zinc/94/52/40/869945240.db2.gz MAGKIJSADQQZFU-JTQLQIEISA-N -1 3 390.274 3.789 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccnc2-c2ccc(Cl)s2)c(=O)[n-]1 ZINC000446585674 870063597 /nfs/dbraw/zinc/06/35/97/870063597.db2.gz KFLHCRWOGKNQBV-UHFFFAOYSA-N -1 3 375.841 3.589 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1c(C)nn(C)c1C ZINC000525266638 870272392 /nfs/dbraw/zinc/27/23/92/870272392.db2.gz AQHYXPBPKOOUII-QGZVFWFLSA-N -1 3 394.479 3.781 20 0 GHADHM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)c2)n1 ZINC000540041161 870287149 /nfs/dbraw/zinc/28/71/49/870287149.db2.gz JSFJVVWFAUSJEE-UHFFFAOYSA-N -1 3 381.457 3.578 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001192327595 870291737 /nfs/dbraw/zinc/29/17/37/870291737.db2.gz YJPJAUFVUCBLEW-QAPCUYQASA-N -1 3 399.560 3.883 20 0 GHADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000190380787 870327743 /nfs/dbraw/zinc/32/77/43/870327743.db2.gz VBVCVRWQZSBJOJ-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM Cc1noc(COc2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2)n1 ZINC000538743947 870543443 /nfs/dbraw/zinc/54/34/43/870543443.db2.gz XOTTYYXDDPZKEQ-UHFFFAOYSA-N -1 3 395.415 3.628 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)o2)cc1 ZINC000461615511 870595074 /nfs/dbraw/zinc/59/50/74/870595074.db2.gz SWUWJHRJUKIDQE-UHFFFAOYSA-N -1 3 391.427 3.657 20 0 GHADHM CSc1nnc([N-]C(=O)c2cccnc2Oc2ccccc2)c(SC)n1 ZINC001192691811 870602365 /nfs/dbraw/zinc/60/23/65/870602365.db2.gz ZXWZFMDQNMSHCE-UHFFFAOYSA-N -1 3 385.474 3.755 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OC)c1 ZINC000538765171 870608620 /nfs/dbraw/zinc/60/86/20/870608620.db2.gz BZMCPHHTTWXQHY-UHFFFAOYSA-N -1 3 384.476 3.831 20 0 GHADHM Cc1c2cc(C)ccc2sc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461620274 870643925 /nfs/dbraw/zinc/64/39/25/870643925.db2.gz OFFAVBMLRCJXPB-UHFFFAOYSA-N -1 3 381.457 3.666 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)c1 ZINC001192836551 870720538 /nfs/dbraw/zinc/72/05/38/870720538.db2.gz JWJZZAQLAJSFOO-MRXNPFEDSA-N -1 3 389.395 3.545 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)c2ccccn2)o1 ZINC000540214320 870751940 /nfs/dbraw/zinc/75/19/40/870751940.db2.gz ZSLYHRQFCQLMKR-QGZVFWFLSA-N -1 3 376.865 3.899 20 0 GHADHM O=S(=O)([N-]Cc1ccc(SC(F)(F)F)cc1)c1cnccc1Cl ZINC001192911258 870766762 /nfs/dbraw/zinc/76/67/62/870766762.db2.gz YBGYZESDXTZZML-UHFFFAOYSA-N -1 3 382.816 3.825 20 0 GHADHM CCc1n[nH]c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1-c1cccs1 ZINC000446960491 870774737 /nfs/dbraw/zinc/77/47/37/870774737.db2.gz ZAQKFJQRTOWEPJ-UHFFFAOYSA-N -1 3 399.501 3.687 20 0 GHADHM CC(C)(C)n1ncc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1C(F)(F)F ZINC000491289399 870832243 /nfs/dbraw/zinc/83/22/43/870832243.db2.gz KUFIIYCUDSRJDP-UHFFFAOYSA-N -1 3 387.309 3.780 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001193152879 870923411 /nfs/dbraw/zinc/92/34/11/870923411.db2.gz IXTCTYAYDRQRFH-AWEZNQCLSA-N -1 3 383.192 3.805 20 0 GHADHM O=S(=O)([N-]CC1CCC2(CC2)CC1)c1c(F)cccc1OC(F)(F)F ZINC001193159782 870926315 /nfs/dbraw/zinc/92/63/15/870926315.db2.gz BTRRBIWQYWVNMW-UHFFFAOYSA-N -1 3 381.391 3.973 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1nc(Cl)ncc1C ZINC001193235767 870964903 /nfs/dbraw/zinc/96/49/03/870964903.db2.gz SSPJMHLJONHNND-UHFFFAOYSA-N -1 3 380.187 3.877 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2OCc2ccc(F)cc2)[n-]1 ZINC000617872551 870985135 /nfs/dbraw/zinc/98/51/35/870985135.db2.gz VWJPEUUGQONMDV-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c[n-]1 ZINC000617872551 870985156 /nfs/dbraw/zinc/98/51/56/870985156.db2.gz VWJPEUUGQONMDV-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM COCCC[C@H](C[N-]S(=O)(=O)c1cnc(C)s1)c1ccc(Cl)cc1 ZINC000509633574 871039263 /nfs/dbraw/zinc/03/92/63/871039263.db2.gz AKPQYEDTBXPCBS-CQSZACIVSA-N -1 3 388.942 3.594 20 0 GHADHM COc1cc(C)c(C(=O)NCc2ncccc2[O-])cc1OCc1ccccc1 ZINC001193376841 871064032 /nfs/dbraw/zinc/06/40/32/871064032.db2.gz JFSRRXNZYHUCJJ-UHFFFAOYSA-N -1 3 378.428 3.613 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001193517223 871156809 /nfs/dbraw/zinc/15/68/09/871156809.db2.gz JPBWAZBBHGTEPV-ROUUACIJSA-N -1 3 391.464 3.775 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193745379 871250421 /nfs/dbraw/zinc/25/04/21/871250421.db2.gz IHDRAYBQYNZKFM-MNOVXSKESA-N -1 3 388.386 3.539 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(C(F)(F)F)nn1-c1ccccc1 ZINC001193738031 871257489 /nfs/dbraw/zinc/25/74/89/871257489.db2.gz RSOFIZQRQCUWKV-UHFFFAOYSA-N -1 3 387.321 3.725 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2sc(C(F)(F)F)nc2C)c(F)cc1F ZINC000463262739 871287277 /nfs/dbraw/zinc/28/72/77/871287277.db2.gz UEDSEDRDSBDPEO-UHFFFAOYSA-N -1 3 380.294 3.787 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1cc(F)cc(Br)c1 ZINC001193796129 871309989 /nfs/dbraw/zinc/30/99/89/871309989.db2.gz PAAAVYVBTMVDEX-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC(c2ccco2)CC1 ZINC000640301590 882509811 /nfs/dbraw/zinc/50/98/11/882509811.db2.gz DEQHCHILOOWRPG-UHFFFAOYSA-N -1 3 376.766 3.525 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CC(F)F)cc1Cl ZINC001194233250 871543182 /nfs/dbraw/zinc/54/31/82/871543182.db2.gz DWYBHEMUNMHBGK-UHFFFAOYSA-N -1 3 376.252 3.962 20 0 GHADHM CC(=O)Nc1cccc([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000539233235 871565489 /nfs/dbraw/zinc/56/54/89/871565489.db2.gz PZCRUAAWJCQNIL-GFCCVEGCSA-N -1 3 376.416 3.891 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618507987 871672427 /nfs/dbraw/zinc/67/24/27/871672427.db2.gz UIEDKQBHUHBEDH-MPJJRAAHSA-N -1 3 392.499 3.806 20 0 GHADHM Cc1ccc(CC2CN(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)C2)cc1 ZINC000640302087 882542015 /nfs/dbraw/zinc/54/20/15/882542015.db2.gz IQRVLZYHBQAWNN-UHFFFAOYSA-N -1 3 386.805 3.536 20 0 GHADHM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001194553961 871786856 /nfs/dbraw/zinc/78/68/56/871786856.db2.gz KFUGKVIDGKFQLU-UUCFBXCCSA-N -1 3 398.937 3.699 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@H]1CCC[C@H]1O ZINC000253555640 871878408 /nfs/dbraw/zinc/87/84/08/871878408.db2.gz KNCQKUZVVZYEJO-CZUORRHYSA-N -1 3 387.480 3.796 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253559030 871883853 /nfs/dbraw/zinc/88/38/53/871883853.db2.gz PREVGRCUCYBONS-CYZMBNFOSA-N -1 3 375.494 3.502 20 0 GHADHM CC1(C)CO[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC001194692311 871891398 /nfs/dbraw/zinc/89/13/98/871891398.db2.gz WARNISLKLFSBCM-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM COC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000253614252 871898930 /nfs/dbraw/zinc/89/89/30/871898930.db2.gz YXTNUCJAQRDXBH-INIZCTEOSA-N -1 3 392.440 3.528 20 0 GHADHM CCOC(=O)C=Cc1ccc(Cl)cc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194783403 871930746 /nfs/dbraw/zinc/93/07/46/871930746.db2.gz MTAACNOXEMTADW-GQCTYLIASA-N -1 3 387.745 3.911 20 0 GHADHM O=C(Nc1cc(Br)nc2ccccc21)c1cnc(C(F)(F)F)[n-]1 ZINC001194770354 871952325 /nfs/dbraw/zinc/95/23/25/871952325.db2.gz GKIQQSPHQUTKMM-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C(Nc1cc2ccccc2c(Br)n1)c1cnc(C(F)(F)F)[n-]1 ZINC001194773216 871953536 /nfs/dbraw/zinc/95/35/36/871953536.db2.gz OXCJSGUHPMWEJU-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C1CCC(S(=O)(=O)[N-]c2cc(F)cc3c2-c2ccc(F)cc2C3)CC1 ZINC001194809278 871963044 /nfs/dbraw/zinc/96/30/44/871963044.db2.gz NUFZRXVEFDESOK-UHFFFAOYSA-N -1 3 377.412 3.789 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447692495 872131333 /nfs/dbraw/zinc/13/13/33/872131333.db2.gz FVDWWDUQYGVIJK-UHFFFAOYSA-N -1 3 375.266 3.871 20 0 GHADHM COc1ccc(-c2nnsc2[N-]C(=O)c2ncc(Br)s2)cc1 ZINC001195054965 872131802 /nfs/dbraw/zinc/13/18/02/872131802.db2.gz URZLGXZZEMHVIU-UHFFFAOYSA-N -1 3 397.279 3.685 20 0 GHADHM CC(C)CN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001271915284 872159406 /nfs/dbraw/zinc/15/94/06/872159406.db2.gz NKNHGGJQXYSVGN-UHFFFAOYSA-N -1 3 378.900 3.546 20 0 GHADHM CC[C@@](C)(NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CC1 ZINC000618959865 872174085 /nfs/dbraw/zinc/17/40/85/872174085.db2.gz FZJCYJAQHHYGLC-HXUWFJFHSA-N -1 3 387.505 3.647 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132823 872190228 /nfs/dbraw/zinc/19/02/28/872190228.db2.gz BHTPRFHBTYWGGN-XBFCOCLRSA-N -1 3 380.872 3.556 20 0 GHADHM CCOC(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001195105873 872202585 /nfs/dbraw/zinc/20/25/85/872202585.db2.gz MYUZZMALUNTAHV-UHFFFAOYSA-N -1 3 385.416 3.777 20 0 GHADHM O=C([N-]c1n[nH]c(CC(=O)c2ccccc2)n1)c1cc(Cl)c(Cl)s1 ZINC001195170062 872230724 /nfs/dbraw/zinc/23/07/24/872230724.db2.gz FHWZQBCKNJXMPC-UHFFFAOYSA-N -1 3 381.244 3.851 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2nc[n-]c2C(=O)OCC)cc1 ZINC001195172202 872232461 /nfs/dbraw/zinc/23/24/61/872232461.db2.gz GZSVADVEXFOQNJ-UHFFFAOYSA-N -1 3 389.408 3.544 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2[n-]cnc2C(=O)OCC)cc1 ZINC001195172202 872232475 /nfs/dbraw/zinc/23/24/75/872232475.db2.gz GZSVADVEXFOQNJ-UHFFFAOYSA-N -1 3 389.408 3.544 20 0 GHADHM Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)Nc1cncc([O-])c1 ZINC001195244789 872274500 /nfs/dbraw/zinc/27/45/00/872274500.db2.gz PIJKSFRMHMRYOY-APSNUPSMSA-N -1 3 392.390 3.616 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N=c1[nH][n-]cc1Br ZINC000552287546 872354695 /nfs/dbraw/zinc/35/46/95/872354695.db2.gz VVQBWZUGAKZBFX-UHFFFAOYSA-N -1 3 397.685 3.932 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N=c1cc([C@@H]3CCCO3)[n-][nH]1)ccc2Br ZINC000526959134 872359395 /nfs/dbraw/zinc/35/93/95/872359395.db2.gz HYPGXNSGPPQOCQ-AWEZNQCLSA-N -1 3 390.237 3.753 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](Cc3ccccc3)c3ncco3)cc(=O)oc12 ZINC001195558056 872470107 /nfs/dbraw/zinc/47/01/07/872470107.db2.gz MOMFFSMTVMVNQE-SFHVURJKSA-N -1 3 376.412 3.869 20 0 GHADHM COc1ccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cc1Cl ZINC000478141915 872556850 /nfs/dbraw/zinc/55/68/50/872556850.db2.gz IUNKZWTVKZNEDW-UHFFFAOYSA-N -1 3 383.901 3.563 20 0 GHADHM COc1ccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cc1Cl ZINC000478141915 872556860 /nfs/dbraw/zinc/55/68/60/872556860.db2.gz IUNKZWTVKZNEDW-UHFFFAOYSA-N -1 3 383.901 3.563 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)c(C)c1F ZINC000463786180 872600469 /nfs/dbraw/zinc/60/04/69/872600469.db2.gz BLZIUBFXYCZDPP-UHFFFAOYSA-N -1 3 383.441 3.739 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc3nc(Cl)ccc32)cn1 ZINC001195723470 872609009 /nfs/dbraw/zinc/60/90/09/872609009.db2.gz UZSBNWNTUFHKMF-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1cccc(OC(F)(F)F)c1 ZINC000121414194 872612636 /nfs/dbraw/zinc/61/26/36/872612636.db2.gz LSFSRXWSUXCBBI-UHFFFAOYSA-N -1 3 397.172 3.544 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCCCc2ccc(Br)cc2)[n-]1 ZINC000619448639 872630961 /nfs/dbraw/zinc/63/09/61/872630961.db2.gz ZCNQCYCMYGAREH-UHFFFAOYSA-N -1 3 394.269 3.700 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCCCc2ccc(Br)cc2)c[n-]1 ZINC000619448639 872630964 /nfs/dbraw/zinc/63/09/64/872630964.db2.gz ZCNQCYCMYGAREH-UHFFFAOYSA-N -1 3 394.269 3.700 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(N3CCCc4ccccc43)cc2)[n-]1 ZINC000619446636 872635559 /nfs/dbraw/zinc/63/55/59/872635559.db2.gz RJUJHBXKCIYDSR-UHFFFAOYSA-N -1 3 390.443 3.923 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(N3CCCc4ccccc43)cc2)c[n-]1 ZINC000619446636 872635566 /nfs/dbraw/zinc/63/55/66/872635566.db2.gz RJUJHBXKCIYDSR-UHFFFAOYSA-N -1 3 390.443 3.923 20 0 GHADHM CC(C)N(C[C@H](O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195791141 872665659 /nfs/dbraw/zinc/66/56/59/872665659.db2.gz DRJYHZYJGGBLKG-NRFANRHFSA-N -1 3 385.485 3.678 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2cc([N-]S(=O)(=O)c3ccc(O)cc3)ccc21 ZINC001195795472 872669074 /nfs/dbraw/zinc/66/90/74/872669074.db2.gz BCYPEJNPVYTPAG-UHFFFAOYSA-N -1 3 388.445 3.931 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195805825 872677145 /nfs/dbraw/zinc/67/71/45/872677145.db2.gz HQGCDGGVZZTFOZ-UHFFFAOYSA-N -1 3 382.413 3.679 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(F)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195805825 872677152 /nfs/dbraw/zinc/67/71/52/872677152.db2.gz HQGCDGGVZZTFOZ-UHFFFAOYSA-N -1 3 382.413 3.679 20 0 GHADHM Cc1nc(NC(=O)c2ccc(-c3cccc(Br)n3)c(C)c2)cc(=O)[n-]1 ZINC001195834463 872701653 /nfs/dbraw/zinc/70/16/53/872701653.db2.gz AROGXPIRODCHRC-UHFFFAOYSA-N -1 3 399.248 3.876 20 0 GHADHM C[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001195834670 872703787 /nfs/dbraw/zinc/70/37/87/872703787.db2.gz FUYWPXRISHLHAA-CYBMUJFWSA-N -1 3 392.477 3.779 20 0 GHADHM CCO[C@@H]1C[C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C12CCCCC2 ZINC000182734062 872736726 /nfs/dbraw/zinc/73/67/26/872736726.db2.gz PHQIPWPVUXJAHD-ZWKOTPCHSA-N -1 3 382.526 3.607 20 0 GHADHM O=C(CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)[N-]OCc1ccccc1 ZINC000767884078 872914099 /nfs/dbraw/zinc/91/40/99/872914099.db2.gz LYFZIXTXXUNAAO-KRWDZBQOSA-N -1 3 378.394 3.743 20 0 GHADHM CCc1cc2c(CN3CCC([C@](C)(O)C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000767908967 872954449 /nfs/dbraw/zinc/95/44/49/872954449.db2.gz WCGBBMYYDNFIDT-IBGZPJMESA-N -1 3 399.409 3.586 20 0 GHADHM O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cccc2n[n-]nc21 ZINC000527356514 873074739 /nfs/dbraw/zinc/07/47/39/873074739.db2.gz UOOSTBOZGGMPET-UHFFFAOYSA-N -1 3 379.323 3.719 20 0 GHADHM O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cccc2n[n-]nc21 ZINC000527356654 873075465 /nfs/dbraw/zinc/07/54/65/873075465.db2.gz CQLLVLFQYMQPPJ-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM COc1cc(C)c(NC(=O)c2cc([O-])cc(I)c2)cc1C ZINC001196417790 873101615 /nfs/dbraw/zinc/10/16/15/873101615.db2.gz SEILXNTXZPJEMX-UHFFFAOYSA-N -1 3 397.212 3.875 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1ccc(F)cc1C(F)(F)F ZINC000122873925 882693736 /nfs/dbraw/zinc/69/37/36/882693736.db2.gz AQBLQLVFDSAZHG-UHFFFAOYSA-N -1 3 380.388 3.657 20 0 GHADHM O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(Br)ccc1[O-] ZINC000176439791 882693112 /nfs/dbraw/zinc/69/31/12/882693112.db2.gz OQZWTNIDGCNNGY-UHFFFAOYSA-N -1 3 394.250 3.838 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1ccc(Br)cc1 ZINC001196628097 873268119 /nfs/dbraw/zinc/26/81/19/873268119.db2.gz PKYQISFSHPGKLH-UHFFFAOYSA-N -1 3 399.241 3.889 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](OCc3ccccc3)CC2)c1 ZINC001196719205 873318982 /nfs/dbraw/zinc/31/89/82/873318982.db2.gz OJSYKJDUVVUKBG-QAQDUYKDSA-N -1 3 393.480 3.641 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196825937 873419928 /nfs/dbraw/zinc/41/99/28/873419928.db2.gz KNSQJSGNQDYWQY-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196825937 873419931 /nfs/dbraw/zinc/41/99/31/873419931.db2.gz KNSQJSGNQDYWQY-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c(C)c1 ZINC001196881631 873426175 /nfs/dbraw/zinc/42/61/75/873426175.db2.gz YWZKUVQIIUNIQG-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c(F)c1 ZINC000475716933 882723092 /nfs/dbraw/zinc/72/30/92/882723092.db2.gz JHDKGFBQHUMNPG-UHFFFAOYSA-N -1 3 385.420 4.000 20 0 GHADHM CCc1cc2c(CN3CCN(c4cccc(F)c4)CC3)cc(=O)oc2cc1[O-] ZINC001197041407 873534608 /nfs/dbraw/zinc/53/46/08/873534608.db2.gz MQBLTAGNJACVHY-UHFFFAOYSA-N -1 3 382.435 3.522 20 0 GHADHM O=C(NCc1ncccc1[O-])c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC001197022157 873547444 /nfs/dbraw/zinc/54/74/44/873547444.db2.gz BGIKSASUCMXMEG-UHFFFAOYSA-N -1 3 379.363 3.860 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(CCCc3ccccc3)cc2)c(=O)[n-]1 ZINC000541449975 873578177 /nfs/dbraw/zinc/57/81/77/873578177.db2.gz ILCNKNYPRZQOND-UHFFFAOYSA-N -1 3 376.460 3.988 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c(NC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000541444205 873589440 /nfs/dbraw/zinc/58/94/40/873589440.db2.gz AIZGDDKEADBXTI-UHFFFAOYSA-N -1 3 386.399 3.775 20 0 GHADHM Cc1ncc(CNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c(=O)[n-]1 ZINC000541459733 873603785 /nfs/dbraw/zinc/60/37/85/873603785.db2.gz JJHISQPZQNLXHH-UHFFFAOYSA-N -1 3 394.378 3.563 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c(=O)[n-]1 ZINC000541470311 873671334 /nfs/dbraw/zinc/67/13/34/873671334.db2.gz ZJSOPZOPMIIZTI-UHFFFAOYSA-N -1 3 386.358 3.883 20 0 GHADHM Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)n1 ZINC001197301483 873692550 /nfs/dbraw/zinc/69/25/50/873692550.db2.gz AHCRACXHCRVYJO-LLVKDONJSA-N -1 3 393.373 3.509 20 0 GHADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC1CCCC1 ZINC000541515583 873726922 /nfs/dbraw/zinc/72/69/22/873726922.db2.gz HTWBSLVLMQKCIT-UHFFFAOYSA-N -1 3 382.420 3.955 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC001197386232 873757771 /nfs/dbraw/zinc/75/77/71/873757771.db2.gz VYCSOGFSXGKXAG-UHFFFAOYSA-N -1 3 395.452 3.732 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2csc(-c3ccncc3)n2)c1F ZINC001197424485 873805163 /nfs/dbraw/zinc/80/51/63/873805163.db2.gz MMNVMWQYLOOYBJ-UHFFFAOYSA-N -1 3 377.372 3.718 20 0 GHADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1c(F)ccc(OCOC)c1F ZINC001197423962 873805398 /nfs/dbraw/zinc/80/53/98/873805398.db2.gz YJZWPVGNOQVBDS-UHFFFAOYSA-N -1 3 385.388 3.746 20 0 GHADHM O=S(=O)(Cc1cccnc1)[N-]c1ccc(Br)c(Cl)c1F ZINC001197457424 873841868 /nfs/dbraw/zinc/84/18/68/873841868.db2.gz HJNYXLPYGPBXGP-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CC(=O)Nc1ccc(O)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC001197722468 874007500 /nfs/dbraw/zinc/00/75/00/874007500.db2.gz FESRNNTXEBBGGS-UHFFFAOYSA-N -1 3 392.411 3.888 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000448803206 874008860 /nfs/dbraw/zinc/00/88/60/874008860.db2.gz CTFVSVNDIPVVES-UHFFFAOYSA-N -1 3 384.451 3.909 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccnc(Cl)c1C(F)(F)F ZINC001197782844 874044875 /nfs/dbraw/zinc/04/48/75/874044875.db2.gz DMNXMBHXOABMRJ-UHFFFAOYSA-N -1 3 396.550 3.869 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccnc4ccccc34)cc2)n1 ZINC000117630479 874078515 /nfs/dbraw/zinc/07/85/15/874078515.db2.gz LWYHMBMPWDRWMM-DHZHZOJOSA-N -1 3 382.423 3.945 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)nc4ccccn43)c2)n1 ZINC000117728662 874149124 /nfs/dbraw/zinc/14/91/24/874149124.db2.gz GEBHFOWBUIPEBO-UHFFFAOYSA-N -1 3 393.834 3.553 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000541724923 874172413 /nfs/dbraw/zinc/17/24/13/874172413.db2.gz NDRQCOMGCNRISY-NEPJUHHUSA-N -1 3 381.457 3.522 20 0 GHADHM Cc1nc(C)c(CC(=O)NCCCCCCOc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000769642108 874183389 /nfs/dbraw/zinc/18/33/89/874183389.db2.gz JZXXPIIJZZCMCF-UHFFFAOYSA-N -1 3 391.899 3.751 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(Cc3ccccc3F)CCC(F)(F)CC2)c1 ZINC001198034005 874191122 /nfs/dbraw/zinc/19/11/22/874191122.db2.gz GVPHDTLXOIHZJG-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](c2ccccc2)O1 ZINC000528193559 874197122 /nfs/dbraw/zinc/19/71/22/874197122.db2.gz RMTWJLUAGWPKIL-PXAZEXFGSA-N -1 3 376.250 3.757 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](c2ccccc2)O1 ZINC000528193569 874197281 /nfs/dbraw/zinc/19/72/81/874197281.db2.gz RMTWJLUAGWPKIL-SJKOYZFVSA-N -1 3 376.250 3.757 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(Cc2ccccc2F)n1 ZINC000464644618 874222479 /nfs/dbraw/zinc/22/24/79/874222479.db2.gz AGJZWHDFFWCSRE-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000769971710 874369788 /nfs/dbraw/zinc/36/97/88/874369788.db2.gz RSTVWIFUXXIEJX-CRAIPNDOSA-N -1 3 375.490 3.542 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccccc3OC(F)F)cc2)n1 ZINC000118216192 874437630 /nfs/dbraw/zinc/43/76/30/874437630.db2.gz QABOTHWDAWBRRG-UHFFFAOYSA-N -1 3 385.370 3.528 20 0 GHADHM COc1cccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1OC ZINC000004485771 874457173 /nfs/dbraw/zinc/45/71/73/874457173.db2.gz LEHGHRNNKFHNHU-JTQLQIEISA-N -1 3 388.445 3.537 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(Br)cc2[O-])cc1OC ZINC000541899708 874497145 /nfs/dbraw/zinc/49/71/45/874497145.db2.gz HJHKLZRRPIBTFS-LLVKDONJSA-N -1 3 394.265 3.989 20 0 GHADHM C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccco1 ZINC000528436337 874572234 /nfs/dbraw/zinc/57/22/34/874572234.db2.gz ICHHDZPQKQICCA-SNVBAGLBSA-N -1 3 390.383 3.802 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CCc3ccccn3)c2)c(C)c1 ZINC001198896013 874680061 /nfs/dbraw/zinc/68/00/61/874680061.db2.gz GZHBLKRPINVDPB-UHFFFAOYSA-N -1 3 382.485 3.985 20 0 GHADHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1ccccc1Br ZINC000775933238 874794590 /nfs/dbraw/zinc/79/45/90/874794590.db2.gz MFOLWUFJTYLCJR-UHFFFAOYSA-N -1 3 384.613 3.604 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)c([O-])c1 ZINC000770864615 874894974 /nfs/dbraw/zinc/89/49/74/874894974.db2.gz ATPUPCMHUQZMPU-VMPITWQZSA-N -1 3 380.194 3.576 20 0 GHADHM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000770869689 874901175 /nfs/dbraw/zinc/90/11/75/874901175.db2.gz TWKGYVFWWYZVEQ-HXUWFJFHSA-N -1 3 394.468 3.591 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000528796713 875069393 /nfs/dbraw/zinc/06/93/93/875069393.db2.gz GKGBPPCSJWBMNP-ZFWWWQNUSA-N -1 3 396.306 3.945 20 0 GHADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000528825092 875131236 /nfs/dbraw/zinc/13/12/36/875131236.db2.gz MCCJLHINRFXVTH-NBHSMZAVSA-N -1 3 376.884 3.515 20 0 GHADHM CCOC(=O)c1sc2[n-]c(Cc3csc(C(C)(C)C)n3)nc(=O)c2c1C ZINC000134471571 882902861 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386.907 3.533 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001201695885 875824531 /nfs/dbraw/zinc/82/45/31/875824531.db2.gz QNXNJLPOYMGUBO-NSHDSACASA-N -1 3 392.880 3.539 20 0 GHADHM O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000669935967 875826162 /nfs/dbraw/zinc/82/61/62/875826162.db2.gz XTIBUKBWZLCFIL-HXUWFJFHSA-N -1 3 388.467 3.509 20 0 GHADHM CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)o2)cc1 ZINC000030058191 875867546 /nfs/dbraw/zinc/86/75/46/875867546.db2.gz ZKRQJHYCDILNQW-CPNJWEJPSA-N -1 3 387.391 3.934 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1C=CCCC1 ZINC000134649263 882973518 /nfs/dbraw/zinc/97/35/18/882973518.db2.gz GPEOBRKROIDSFO-HNNXBMFYSA-N -1 3 388.464 3.773 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)s1 ZINC000450296523 876240476 /nfs/dbraw/zinc/24/04/76/876240476.db2.gz DWGIODGGCOSWON-UHFFFAOYSA-N -1 3 390.490 3.767 20 0 GHADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 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397.390 3.723 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCCN(c3ccc(F)cc3C)C2=O)n1 ZINC000477366631 877520989 /nfs/dbraw/zinc/52/09/89/877520989.db2.gz RTUBSMZZJOSFPZ-INIZCTEOSA-N -1 3 375.469 3.621 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)CCCC2)n1 ZINC000564358298 877576952 /nfs/dbraw/zinc/57/69/52/877576952.db2.gz QNQUYSBXAGPQNU-UHFFFAOYSA-N -1 3 383.539 3.626 20 0 GHADHM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846568 877664599 /nfs/dbraw/zinc/66/45/99/877664599.db2.gz VQEWBBDMXPSQJV-CQSZACIVSA-N -1 3 387.407 3.627 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000787847139 877668171 /nfs/dbraw/zinc/66/81/71/877668171.db2.gz XZXBMCCUXPYOOH-SJLPKXTDSA-N -1 3 377.456 3.578 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000787848912 877669674 /nfs/dbraw/zinc/66/96/74/877669674.db2.gz QKUZQIYNFYIUSA-SFHVURJKSA-N -1 3 391.826 3.856 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1c(F)cccc1F ZINC000787847868 877670078 /nfs/dbraw/zinc/67/00/78/877670078.db2.gz IKWPYZQWWDLXSO-LLVKDONJSA-N -1 3 381.350 3.703 20 0 GHADHM Cc1cnc(Cl)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000787975153 877754483 /nfs/dbraw/zinc/75/44/83/877754483.db2.gz CBOFOCWLJFXQPI-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(C2CC2)cc1 ZINC000451328204 877811399 /nfs/dbraw/zinc/81/13/99/877811399.db2.gz HQXJIIFIXDTSAI-UHFFFAOYSA-N -1 3 382.279 3.511 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1nccn1-c1ccccc1)CC2 ZINC000788085002 877827538 /nfs/dbraw/zinc/82/75/38/877827538.db2.gz AYSUZIDWGYZWTN-UHFFFAOYSA-N -1 3 381.457 3.610 20 0 GHADHM CCn1nc(C)c(CC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1C ZINC000551796830 877847288 /nfs/dbraw/zinc/84/72/88/877847288.db2.gz IGIWWPOKUDQXSZ-UHFFFAOYSA-N -1 3 392.290 3.820 20 0 GHADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000451361121 877857769 /nfs/dbraw/zinc/85/77/69/877857769.db2.gz MALRJTHALZSHPP-CYBMUJFWSA-N -1 3 392.374 3.591 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccccc1Br ZINC000175796035 877905309 /nfs/dbraw/zinc/90/53/09/877905309.db2.gz HFKGFOOYCYLVMP-LLVKDONJSA-N -1 3 397.244 3.561 20 0 GHADHM CN(C)[C@H](CNC(=O)c1cc2sccc2c([O-])c1)c1c(F)cccc1F ZINC000788299670 877978057 /nfs/dbraw/zinc/97/80/57/877978057.db2.gz SYJUXIZPJBZASD-OAHLLOKOSA-N -1 3 376.428 3.918 20 0 GHADHM O=C([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)C1(O)CCCC1 ZINC000788305934 877982757 /nfs/dbraw/zinc/98/27/57/877982757.db2.gz GKIHHUSRDYDLPC-INIZCTEOSA-N -1 3 380.822 3.881 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)cc1Cl ZINC000788494488 878103836 /nfs/dbraw/zinc/10/38/36/878103836.db2.gz YTILUDUJEBDGSY-HNNXBMFYSA-N -1 3 381.881 3.571 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000245579669 878143674 /nfs/dbraw/zinc/14/36/74/878143674.db2.gz AVEXSIHTXRLAKD-RVZJWNSFSA-N -1 3 383.448 3.734 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000530602738 878171899 /nfs/dbraw/zinc/17/18/99/878171899.db2.gz STCFNEDRAJMPIZ-UHFFFAOYSA-N -1 3 390.439 3.648 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(CNc3ccccc3)cc2)c(=O)[n-]1 ZINC000176285584 878186963 /nfs/dbraw/zinc/18/69/63/878186963.db2.gz BTSLQLJIIJMTLW-UHFFFAOYSA-N -1 3 376.460 3.570 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000176696538 878359052 /nfs/dbraw/zinc/35/90/52/878359052.db2.gz SLQZNMBFDNJCIB-KRWDZBQOSA-N -1 3 375.425 3.663 20 0 GHADHM CC[C@@](C)(CCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1OCCO1 ZINC000788898392 878433726 /nfs/dbraw/zinc/43/37/26/878433726.db2.gz LRQXWAUEBYLZNJ-HNNXBMFYSA-N -1 3 381.947 3.558 20 0 GHADHM COc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(C)c(Cl)s3)c21 ZINC000788908099 878444141 /nfs/dbraw/zinc/44/41/41/878444141.db2.gz ZTUKJQLHEJFKPD-UHFFFAOYSA-N -1 3 384.910 3.721 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c1 ZINC000616045758 878464334 /nfs/dbraw/zinc/46/43/34/878464334.db2.gz CJLFRPFWEZUCQP-UHFFFAOYSA-N -1 3 376.460 3.760 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)s1 ZINC000451812620 878504358 /nfs/dbraw/zinc/50/43/58/878504358.db2.gz CQNTVIFWUXPQGS-AAEUAGOBSA-N -1 3 396.372 3.549 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C)cc(Br)c1)c2=O ZINC001183225924 912357488 /nfs/dbraw/zinc/35/74/88/912357488.db2.gz DDJZEOFWBGKXDC-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM C[C@@H](CCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])OCc1ccccc1 ZINC000789024977 878549636 /nfs/dbraw/zinc/54/96/36/878549636.db2.gz LGFRTHBYZHFLBK-FXAWDEMLSA-N -1 3 397.471 3.535 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)o1 ZINC000451961077 878736885 /nfs/dbraw/zinc/73/68/85/878736885.db2.gz RHYPTXGMPFAPAW-UHFFFAOYSA-N -1 3 398.912 3.938 20 0 GHADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000180289145 878747784 /nfs/dbraw/zinc/74/77/84/878747784.db2.gz XTSBWDUGVFGCIW-UHFFFAOYSA-N -1 3 389.260 3.756 20 0 GHADHM CN1C(=O)CCc2cc(CN[C@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)ccc21 ZINC000853037092 878764702 /nfs/dbraw/zinc/76/47/02/878764702.db2.gz SWAMBDCYWFVVAO-SFHVURJKSA-N -1 3 392.377 3.530 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1F ZINC000538121437 878846259 /nfs/dbraw/zinc/84/62/59/878846259.db2.gz NJXLLMIIDGZFKP-WBVHZDCISA-N -1 3 387.835 3.735 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000282033171 878906275 /nfs/dbraw/zinc/90/62/75/878906275.db2.gz VIYKZDDRROMVIS-OAHLLOKOSA-N -1 3 399.491 3.707 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3[C@H](C)C3(F)F)cc2)cc1 ZINC000460997144 878968804 /nfs/dbraw/zinc/96/88/04/878968804.db2.gz SKDYDAKBXKAZGZ-LRDDRELGSA-N -1 3 380.416 3.636 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616732233 879022074 /nfs/dbraw/zinc/02/20/74/879022074.db2.gz JHOCUMTZSRZUIM-KXBFYZLASA-N -1 3 388.464 3.641 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(COC3CCOCC3)c2)[nH][n-]1 ZINC000538220829 879040298 /nfs/dbraw/zinc/04/02/98/879040298.db2.gz XWJWCUMKGIWBSV-UHFFFAOYSA-N -1 3 391.471 3.755 20 0 GHADHM CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccccc1[S-] ZINC001272012619 879123463 /nfs/dbraw/zinc/12/34/63/879123463.db2.gz CQWBIVAJACKAHS-OKZBNKHCSA-N -1 3 376.566 3.717 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1c(F)cc(F)cc1F ZINC000178480018 879127596 /nfs/dbraw/zinc/12/75/96/879127596.db2.gz GUPVNVDPTCDOJS-UHFFFAOYSA-N -1 3 375.144 3.894 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000616887058 879202622 /nfs/dbraw/zinc/20/26/22/879202622.db2.gz PIPVVQJTKLCWKE-OAQYLSRUSA-N -1 3 376.456 3.552 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(I)c2)c1F ZINC000538298996 879206982 /nfs/dbraw/zinc/20/69/82/879206982.db2.gz RIUOUDFIGQRLRH-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM O=S(=O)(/C=C\c1ccc(Br)cc1)[N-]c1cnc(CC2CC2)nc1 ZINC000789750323 879261653 /nfs/dbraw/zinc/26/16/53/879261653.db2.gz QKQUIYLSVBIZFK-FPLPWBNLSA-N -1 3 394.294 3.604 20 0 GHADHM CC(Cl)(Cl)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789867525 879325345 /nfs/dbraw/zinc/32/53/45/879325345.db2.gz HXSLYUATYSSWIA-UHFFFAOYSA-N -1 3 389.040 3.935 20 0 GHADHM C/C(=C/c1ccc(C)cc1)C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000180793651 879329766 /nfs/dbraw/zinc/32/97/66/879329766.db2.gz CNSKBMDKYUEXCG-XFXZXTDPSA-N -1 3 391.240 3.761 20 0 GHADHM CCCC(=O)Nc1cccc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1 ZINC000617031192 879330277 /nfs/dbraw/zinc/33/02/77/879330277.db2.gz JZVGUDRAUKGFHV-UHFFFAOYSA-N -1 3 379.416 3.528 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1[O-] ZINC000531195808 879342104 /nfs/dbraw/zinc/34/21/04/879342104.db2.gz CYHIYRZXEAIASH-CQSZACIVSA-N -1 3 386.879 3.830 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C ZINC000789974903 879374006 /nfs/dbraw/zinc/37/40/06/879374006.db2.gz WWBGSOKGKPZLFO-UHFFFAOYSA-N -1 3 385.807 3.778 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)cc2)cc(=O)[n-]1 ZINC000531284102 879474863 /nfs/dbraw/zinc/47/48/63/879474863.db2.gz WZGXCELEAHYPSU-MJGOQNOKSA-N -1 3 392.463 3.660 20 0 GHADHM O=C(NCC[S@](=O)Cc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746885265 879501713 /nfs/dbraw/zinc/50/17/13/879501713.db2.gz DXRAKXSMSPNHPN-NDEPHWFRSA-N -1 3 395.480 3.863 20 0 GHADHM CCC(F)(F)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000854148003 879581804 /nfs/dbraw/zinc/58/18/04/879581804.db2.gz CFSZSZQOSCQIHD-UHFFFAOYSA-N -1 3 398.431 3.788 20 0 GHADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493811109 879650772 /nfs/dbraw/zinc/65/07/72/879650772.db2.gz BMHJHUZGSWXXFM-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1nccs1 ZINC000493883286 879696130 /nfs/dbraw/zinc/69/61/30/879696130.db2.gz NQYGUMRWOVBGHL-SECBINFHSA-N -1 3 395.731 3.989 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000452597010 879744649 /nfs/dbraw/zinc/74/46/49/879744649.db2.gz YOGMFJXBEPULFO-GOSISDBHSA-N -1 3 377.847 3.792 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCc3ccccc3[C@H]2O)c([O-])c1 ZINC001183381433 912494468 /nfs/dbraw/zinc/49/44/68/912494468.db2.gz ASLNFVQUPCWLIJ-VQIMIIECSA-N -1 3 383.444 3.582 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(Br)n1 ZINC000181137246 879787355 /nfs/dbraw/zinc/78/73/55/879787355.db2.gz UHYHKRJQXMAFPG-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC1(C)CC[C@@H](c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)c2ccccc21 ZINC000643128572 912502205 /nfs/dbraw/zinc/50/22/05/912502205.db2.gz HMGOUVBJQLZMRS-MRXNPFEDSA-N -1 3 398.488 3.706 20 0 GHADHM CN1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H]1Cc1ccccc1 ZINC001183415491 912502571 /nfs/dbraw/zinc/50/25/71/912502571.db2.gz MZRVASYPEZVLAI-QGZVFWFLSA-N -1 3 395.890 3.593 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c(F)c1 ZINC000790646377 879911753 /nfs/dbraw/zinc/91/17/53/879911753.db2.gz YEEOGPRCEJGHRI-UHFFFAOYSA-N -1 3 399.346 3.746 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000854579720 879920221 /nfs/dbraw/zinc/92/02/21/879920221.db2.gz RWKQBFQYSCCCJW-ZDUSSCGKSA-N -1 3 385.489 3.525 20 0 GHADHM CCn1cc(CC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c2ccccc21 ZINC000494110276 879937873 /nfs/dbraw/zinc/93/78/73/879937873.db2.gz BGXVBPYPUUKMDF-UHFFFAOYSA-N -1 3 376.416 3.505 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OCC(F)(F)F)cc3)nc21 ZINC000494138504 879943216 /nfs/dbraw/zinc/94/32/16/879943216.db2.gz AMAVBWURZKPHMD-UHFFFAOYSA-N -1 3 393.321 3.543 20 0 GHADHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452744090 879962735 /nfs/dbraw/zinc/96/27/35/879962735.db2.gz BOILKMLKARHFAF-UHFFFAOYSA-N -1 3 392.175 3.626 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000854689024 880005680 /nfs/dbraw/zinc/00/56/80/880005680.db2.gz LWTRZICTOCMNKS-XYPYZODXSA-N -1 3 399.285 3.705 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C)C(F)(F)C3)nc(=O)c2c1C ZINC000494221836 880016282 /nfs/dbraw/zinc/01/62/82/880016282.db2.gz ALVDYLFPPQYULG-KOLCDFICSA-N -1 3 399.463 3.508 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183441943 912528602 /nfs/dbraw/zinc/52/86/02/912528602.db2.gz FLYDBAIWNMFSJP-YOEHRIQHSA-N -1 3 389.459 3.521 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cnc(Cc2ccccc2)s1 ZINC000183261568 880080185 /nfs/dbraw/zinc/08/01/85/880080185.db2.gz HFAVJXNLPSUVSH-UHFFFAOYSA-N -1 3 393.447 3.834 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183441943 912528608 /nfs/dbraw/zinc/52/86/08/912528608.db2.gz FLYDBAIWNMFSJP-YOEHRIQHSA-N -1 3 389.459 3.521 20 0 GHADHM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183526481 880118189 /nfs/dbraw/zinc/11/81/89/880118189.db2.gz YDDKDAZGRRJPBE-UHFFFAOYSA-N -1 3 396.434 3.919 20 0 GHADHM COc1ccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000452837307 880126892 /nfs/dbraw/zinc/12/68/92/880126892.db2.gz BIVRPYITBOTFIO-CYBMUJFWSA-N -1 3 376.250 3.793 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2)cc(=O)[n-]1 ZINC000531604378 880168653 /nfs/dbraw/zinc/16/86/53/880168653.db2.gz OMQLMFZNYRLDTF-QGZVFWFLSA-N -1 3 396.472 3.825 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1[O-] ZINC000855199260 880347648 /nfs/dbraw/zinc/34/76/48/880347648.db2.gz NQJMJVSXRWBYDU-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1[O-] ZINC000531775008 880463175 /nfs/dbraw/zinc/46/31/75/880463175.db2.gz NPSLANBQDIPLLF-KRWDZBQOSA-N -1 3 392.455 3.735 20 0 GHADHM O=C([N-][C@@]1(Cc2ccc(Cl)cc2)CCCOC1)C(F)(F)c1nccs1 ZINC000855459469 880530977 /nfs/dbraw/zinc/53/09/77/880530977.db2.gz VUXGZZMQQNPBRF-MRXNPFEDSA-N -1 3 386.851 3.796 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3cn(C)c4ccccc34)nc21 ZINC000185301826 880536372 /nfs/dbraw/zinc/53/63/72/880536372.db2.gz JLLGDENCBNAAMF-GFCCVEGCSA-N -1 3 376.416 3.583 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)c(Br)cc2C)c(=O)[n-]1 ZINC000855557344 880592817 /nfs/dbraw/zinc/59/28/17/880592817.db2.gz DXLLTHUDICDEQO-UHFFFAOYSA-N -1 3 384.661 3.705 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000643269040 912590879 /nfs/dbraw/zinc/59/08/79/912590879.db2.gz WKSFLKSONWDLJQ-IBGZPJMESA-N -1 3 386.473 3.649 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(F)cc1F ZINC000094060267 912599222 /nfs/dbraw/zinc/59/92/22/912599222.db2.gz NGCHAPCJIULUER-UHFFFAOYSA-N -1 3 376.359 3.595 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)nc21 ZINC000185992431 880752717 /nfs/dbraw/zinc/75/27/17/880752717.db2.gz DWGJHEIFMOSLHD-GHMZBOCLSA-N -1 3 389.333 3.509 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000792196251 880983539 /nfs/dbraw/zinc/98/35/39/880983539.db2.gz LPHWNBYPRZZBBH-UHFFFAOYSA-N -1 3 398.466 3.578 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000792260959 881021464 /nfs/dbraw/zinc/02/14/64/881021464.db2.gz TUSCFBKULCNPJU-UHFFFAOYSA-N -1 3 377.828 3.969 20 0 GHADHM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000556937334 881084704 /nfs/dbraw/zinc/08/47/04/881084704.db2.gz LQIMKBSVVOXLFL-UHFFFAOYSA-N -1 3 391.143 3.835 20 0 GHADHM COC(=O)Nc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1 ZINC000792482384 881138886 /nfs/dbraw/zinc/13/88/86/881138886.db2.gz DHQANKVZSYKYOA-UHFFFAOYSA-N -1 3 377.360 3.649 20 0 GHADHM COC(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000792482384 881138896 /nfs/dbraw/zinc/13/88/96/881138896.db2.gz DHQANKVZSYKYOA-UHFFFAOYSA-N -1 3 377.360 3.649 20 0 GHADHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792486070 881141519 /nfs/dbraw/zinc/14/15/19/881141519.db2.gz JJZCAVFXVGNUQB-GFCCVEGCSA-N -1 3 399.451 3.659 20 0 GHADHM O=C([N-]OCC1CCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000856345174 881154429 /nfs/dbraw/zinc/15/44/29/881154429.db2.gz HPKXKJKWWGTQBX-CQSZACIVSA-N -1 3 385.291 3.694 20 0 GHADHM COc1ccc([C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1F ZINC000640291846 881157163 /nfs/dbraw/zinc/15/71/63/881157163.db2.gz DPRAEBLFLLHKIK-QMMMGPOBSA-N -1 3 394.756 3.551 20 0 GHADHM COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)s1 ZINC000856461263 881256806 /nfs/dbraw/zinc/25/68/06/881256806.db2.gz RRFMORYEFNWLMS-CQSZACIVSA-N -1 3 396.468 3.808 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H]1Cc1ccccc1 ZINC000640292603 881286890 /nfs/dbraw/zinc/28/68/90/881286890.db2.gz NANGABMYIPIJFU-ZDUSSCGKSA-N -1 3 386.805 3.760 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2cccc(Oc3ccccc3)c2)n1 ZINC001170272894 881288438 /nfs/dbraw/zinc/28/84/38/881288438.db2.gz KTTPBIWQANIDTL-UHFFFAOYSA-N -1 3 392.459 3.746 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C(=Cc1ccccc1)C(F)(F)F ZINC001129732106 883141157 /nfs/dbraw/zinc/14/11/57/883141157.db2.gz DNBGUTCDZWPHKY-WQLSENKSSA-N -1 3 377.301 3.590 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C(=Cc1ccccc1)C(F)(F)F ZINC001129732106 883141162 /nfs/dbraw/zinc/14/11/62/883141162.db2.gz DNBGUTCDZWPHKY-WQLSENKSSA-N -1 3 377.301 3.590 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1Br ZINC001129758786 883158884 /nfs/dbraw/zinc/15/88/84/883158884.db2.gz IAOWKQBLJDPDCR-UHFFFAOYSA-N -1 3 380.217 3.523 20 0 GHADHM O=C([O-])[C@]1(NCc2cccc(OCC(F)(F)F)c2)CCc2c1cccc2F ZINC000551057958 883198602 /nfs/dbraw/zinc/19/86/02/883198602.db2.gz OKGFQSHPRGSJNL-SFHVURJKSA-N -1 3 383.341 3.783 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1F ZINC000475754307 883221582 /nfs/dbraw/zinc/22/15/82/883221582.db2.gz ZQZFLTXHKNDGTF-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCC1(CC)CCC(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000476858099 883250701 /nfs/dbraw/zinc/25/07/01/883250701.db2.gz QRHYWXCSAVCAPB-UHFFFAOYSA-N -1 3 396.535 3.938 20 0 GHADHM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(CN2CCCCC2)cc1 ZINC000551087670 883265009 /nfs/dbraw/zinc/26/50/09/883265009.db2.gz VTRWRSGXAXDNDN-UHFFFAOYSA-N -1 3 378.501 3.865 20 0 GHADHM CN(CCOc1ccccc1C(=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000183915708 883310483 /nfs/dbraw/zinc/31/04/83/883310483.db2.gz WTJBHJABCBCWFL-WMZOPIPTSA-N -1 3 396.270 3.661 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2)c1)c1cnc(Cl)c(F)c1 ZINC000804951206 883484238 /nfs/dbraw/zinc/48/42/38/883484238.db2.gz MEYMSIMKVJTQIF-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1sccc1Br ZINC000476981375 883497788 /nfs/dbraw/zinc/49/77/88/883497788.db2.gz PGGXICULAQYUNU-GFCCVEGCSA-N -1 3 388.308 3.539 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccc(F)cc1)c1cccc(Cl)c1F ZINC000032418787 883544542 /nfs/dbraw/zinc/54/45/42/883544542.db2.gz SQVOKIRQCQJKKA-UHFFFAOYSA-N -1 3 375.824 3.756 20 0 GHADHM CCOC(=O)[C@@H](CC)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194550046 883853209 /nfs/dbraw/zinc/85/32/09/883853209.db2.gz YUGULXMXOMRCNG-GFCCVEGCSA-N -1 3 378.475 3.820 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CC)c2)c(C)c1 ZINC000194727233 883909974 /nfs/dbraw/zinc/90/99/74/883909974.db2.gz JUELBDXOIIMXHU-UHFFFAOYSA-N -1 3 390.505 3.677 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4oc(=O)[nH]c4c3)nc(=O)c2c1C ZINC000805656876 883977476 /nfs/dbraw/zinc/97/74/76/883977476.db2.gz YBJADANERHVNSZ-MRVPVSSYSA-N -1 3 385.401 3.779 20 0 GHADHM CCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CO2 ZINC000476159366 884166055 /nfs/dbraw/zinc/16/60/55/884166055.db2.gz MYFCYEJSQAZBLS-LBPRGKRZSA-N -1 3 381.350 4.000 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000642316911 884285271 /nfs/dbraw/zinc/28/52/71/884285271.db2.gz RABCEPXFLRGNKW-UHFFFAOYSA-N -1 3 391.493 3.643 20 0 GHADHM C[C@@H]1[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)CCN1c1ccccc1 ZINC000476327858 884400975 /nfs/dbraw/zinc/40/09/75/884400975.db2.gz PNYRAMSZWOKMEG-CJNGLKHVSA-N -1 3 389.293 3.686 20 0 GHADHM COc1cc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cc(OC)c1OC ZINC000556323277 884471461 /nfs/dbraw/zinc/47/14/61/884471461.db2.gz AFGNTYBTMFKNPL-UZUQRXQVSA-N -1 3 399.487 3.925 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Br)cc3c2OCC3)C1 ZINC000322304824 884564963 /nfs/dbraw/zinc/56/49/63/884564963.db2.gz VYGAZCKITPZHMZ-AWEZNQCLSA-N -1 3 382.298 3.707 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)c2cccnc12 ZINC000556342949 884566023 /nfs/dbraw/zinc/56/60/23/884566023.db2.gz XXSLOIGNUZBTHP-UHFFFAOYSA-N -1 3 394.456 3.538 20 0 GHADHM O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210958 884633236 /nfs/dbraw/zinc/63/32/36/884633236.db2.gz LIFATVKBJPGYFX-MRVPVSSYSA-N -1 3 380.882 3.583 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263327120 884666803 /nfs/dbraw/zinc/66/68/03/884666803.db2.gz KUABNJVZZDYKGB-MDZLAQPJSA-N -1 3 383.370 3.859 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3sc4nccc(C)c4c3C)c(=O)c2c1C ZINC000914753997 884708964 /nfs/dbraw/zinc/70/89/64/884708964.db2.gz CMLPDPMUCBIWHF-UHFFFAOYSA-N -1 3 384.486 3.685 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263364793 884727636 /nfs/dbraw/zinc/72/76/36/884727636.db2.gz SVWXJACWBINTMN-IXDOHACOSA-N -1 3 382.460 3.849 20 0 GHADHM C[C@@H](OCCCNC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1 ZINC000919046308 884802548 /nfs/dbraw/zinc/80/25/48/884802548.db2.gz IMNGKMBTVMRHFB-GFCCVEGCSA-N -1 3 399.274 3.762 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)ccc1F ZINC000105591492 884817378 /nfs/dbraw/zinc/81/73/78/884817378.db2.gz QTMIQISNLAONBQ-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914891201 885117761 /nfs/dbraw/zinc/11/77/61/885117761.db2.gz ZWMRFFBKDNPEEO-UHFFFAOYSA-N -1 3 394.399 3.646 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2cn(-c3ccccc3)nn2)s1)c1ccccc1 ZINC000106686367 885136131 /nfs/dbraw/zinc/13/61/31/885136131.db2.gz YFABPWXWTCBNBK-UHFFFAOYSA-N -1 3 390.472 3.697 20 0 GHADHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795850715 912910966 /nfs/dbraw/zinc/91/09/66/912910966.db2.gz AKMQRLAQFCBKIB-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1OC ZINC000107067525 885232805 /nfs/dbraw/zinc/23/28/05/885232805.db2.gz HGVXDHZXVQGCOH-UHFFFAOYSA-N -1 3 397.321 3.802 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC1CCCC1 ZINC000795872470 912918591 /nfs/dbraw/zinc/91/85/91/912918591.db2.gz IAWCMTVADWZFIM-VIFPVBQESA-N -1 3 399.818 3.511 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000747379186 885326359 /nfs/dbraw/zinc/32/63/59/885326359.db2.gz UIVQHQPWKKIKSU-ZIAGYGMSSA-N -1 3 390.281 3.662 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)n[n-]2)o1 ZINC000919329107 885345811 /nfs/dbraw/zinc/34/58/11/885345811.db2.gz VPUJUVZSKGAECN-UHFFFAOYSA-N -1 3 393.321 3.792 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)[n-]n2)o1 ZINC000919329107 885345833 /nfs/dbraw/zinc/34/58/33/885345833.db2.gz VPUJUVZSKGAECN-UHFFFAOYSA-N -1 3 393.321 3.792 20 0 GHADHM COc1ccc([C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)c(C)c1 ZINC000154952286 885408202 /nfs/dbraw/zinc/40/82/02/885408202.db2.gz IBYAAYAMMLSTKN-QFIPXVFZSA-N -1 3 394.471 3.808 20 0 GHADHM O=C(NCc1cnn(CC(F)(F)F)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000532438333 885433801 /nfs/dbraw/zinc/43/38/01/885433801.db2.gz BGIWLAWZPWTSFF-UHFFFAOYSA-N -1 3 389.377 3.672 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3ncccc3C(=O)OC(C)(C)C)on2)c1 ZINC001130957925 885453546 /nfs/dbraw/zinc/45/35/46/885453546.db2.gz IAVMWMUWUFILFE-UHFFFAOYSA-N -1 3 395.415 3.953 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C)cc1Cl ZINC000104738199 885593852 /nfs/dbraw/zinc/59/38/52/885593852.db2.gz LBJCCXUOPQBFTL-CMPLNLGQSA-N -1 3 376.881 3.542 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000861520292 885601585 /nfs/dbraw/zinc/60/15/85/885601585.db2.gz CJFQBXPQDYXDSR-BMGDILEWSA-N -1 3 388.261 3.591 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1nc(C)cs1 ZINC000104760459 885605291 /nfs/dbraw/zinc/60/52/91/885605291.db2.gz XYVBWMUPYUPLRD-NSHDSACASA-N -1 3 393.303 3.783 20 0 GHADHM O=C(N[C@H](CCO)c1ccccc1Br)c1cc([O-])ccc1Cl ZINC000498880514 886015413 /nfs/dbraw/zinc/01/54/13/886015413.db2.gz ONLAATGIFCEQGN-OAHLLOKOSA-N -1 3 384.657 3.662 20 0 GHADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000055616624 886093410 /nfs/dbraw/zinc/09/34/10/886093410.db2.gz IKHRLXXZHLGSPA-UHFFFAOYSA-N -1 3 376.478 3.932 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(Cl)c2)c1 ZINC000193463431 886291673 /nfs/dbraw/zinc/29/16/73/886291673.db2.gz VMNPEQNASDOCSC-UHFFFAOYSA-N -1 3 385.807 3.524 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc3ccccc3nc2Br)c1 ZINC000762505995 886308223 /nfs/dbraw/zinc/30/82/23/886308223.db2.gz ZRRQLMQYVIZJPJ-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCCOc2ccccc21 ZINC000119193420 886467572 /nfs/dbraw/zinc/46/75/72/886467572.db2.gz UAFYPZSSQYCOGK-HNNXBMFYSA-N -1 3 391.265 3.868 20 0 GHADHM CC1(c2nsc([N-]C(=O)c3ccoc3COc3ccc(C=O)cc3)n2)CC1 ZINC000862610766 886491175 /nfs/dbraw/zinc/49/11/75/886491175.db2.gz XKOBZODNAUPQJF-UHFFFAOYSA-N -1 3 383.429 3.826 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)cc3C)nc21 ZINC000532621315 886524143 /nfs/dbraw/zinc/52/41/43/886524143.db2.gz PNNKEXBPEZWRDB-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000131778115 886544203 /nfs/dbraw/zinc/54/42/03/886544203.db2.gz NFXIAYHFBDYZRR-CYBMUJFWSA-N -1 3 383.286 3.520 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000323030730 886554457 /nfs/dbraw/zinc/55/44/57/886554457.db2.gz WKNWNAJSSUWAKM-UHFFFAOYSA-N -1 3 376.221 3.714 20 0 GHADHM Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000862718905 886558544 /nfs/dbraw/zinc/55/85/44/886558544.db2.gz LQRKESSVIFZSBB-UHFFFAOYSA-N -1 3 384.436 3.967 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)C[C@H](O)c1ccccc1 ZINC000762633610 886576265 /nfs/dbraw/zinc/57/62/65/886576265.db2.gz WKHWDTUBXIAITO-PXAZEXFGSA-N -1 3 377.437 3.671 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CC[C@H](C(F)(F)F)O2)nc2c1cnn2-c1ccccc1 ZINC000915418700 886598425 /nfs/dbraw/zinc/59/84/25/886598425.db2.gz LPJLCWJYPJVKPM-WCQYABFASA-N -1 3 396.394 3.723 20 0 GHADHM COc1cc(-c2nc(-c3cc(Br)cs3)no2)cc(OC)c1[O-] ZINC000131932554 886607336 /nfs/dbraw/zinc/60/73/36/886607336.db2.gz LQHCDKJZESTUPO-UHFFFAOYSA-N -1 3 383.223 3.950 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)N(Cc3ccccc3)C(C)C)n[n-]c21 ZINC000808676175 886672271 /nfs/dbraw/zinc/67/22/71/886672271.db2.gz GLLZHRZUKYNZLE-OAHLLOKOSA-N -1 3 395.459 3.554 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)N(Cc3ccccc3)C(C)C)[n-]nc21 ZINC000808676175 886672289 /nfs/dbraw/zinc/67/22/89/886672289.db2.gz GLLZHRZUKYNZLE-OAHLLOKOSA-N -1 3 395.459 3.554 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H]1c1cccs1 ZINC000640290958 886673022 /nfs/dbraw/zinc/67/30/22/886673022.db2.gz UYIYITJPRYOLJW-SNVBAGLBSA-N -1 3 378.807 3.951 20 0 GHADHM COc1cccc2c(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)n[n-]c21 ZINC000808675755 886675516 /nfs/dbraw/zinc/67/55/16/886675516.db2.gz REJRNLZFZRMJLH-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000808675755 886675528 /nfs/dbraw/zinc/67/55/28/886675528.db2.gz REJRNLZFZRMJLH-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000762725157 886752871 /nfs/dbraw/zinc/75/28/71/886752871.db2.gz BXSLFZAJTICGKC-UHFFFAOYSA-N -1 3 395.286 3.551 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cncc(C(F)(F)F)c3)c2)n1 ZINC000808988548 886966632 /nfs/dbraw/zinc/96/66/32/886966632.db2.gz SZJLFJMIILSAOX-UHFFFAOYSA-N -1 3 375.306 3.791 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1C ZINC000863428343 887100200 /nfs/dbraw/zinc/10/02/00/887100200.db2.gz ZGVZWPZCBDJVNW-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2Cl)ccc1F ZINC000809195498 887189367 /nfs/dbraw/zinc/18/93/67/887189367.db2.gz SKISGDSCRVKUIY-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2c(C[N-]C(=O)C(F)(F)C(F)F)cccc21 ZINC000809279910 887267565 /nfs/dbraw/zinc/26/75/65/887267565.db2.gz WAHXXBHUYWJZHM-UHFFFAOYSA-N -1 3 390.377 3.891 20 0 GHADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000809287796 887274527 /nfs/dbraw/zinc/27/45/27/887274527.db2.gz JDJHXHNULYKLAG-DZGCQCFKSA-N -1 3 396.528 3.553 20 0 GHADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1cccs1 ZINC000915711494 887351225 /nfs/dbraw/zinc/35/12/25/887351225.db2.gz BWMIOWDZNBSHMV-LBPRGKRZSA-N -1 3 381.491 3.785 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC001131707787 887443202 /nfs/dbraw/zinc/44/32/02/887443202.db2.gz STZVTKYWURGNJE-FRRDWIJNSA-N -1 3 395.912 3.907 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC001131707787 887443212 /nfs/dbraw/zinc/44/32/12/887443212.db2.gz STZVTKYWURGNJE-FRRDWIJNSA-N -1 3 395.912 3.907 20 0 GHADHM CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459336854 887467568 /nfs/dbraw/zinc/46/75/68/887467568.db2.gz PVXCETBDCADOBM-ZDUSSCGKSA-N -1 3 383.330 3.529 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](C)NC(=O)OC(C)(C)C ZINC001211940384 887497060 /nfs/dbraw/zinc/49/70/60/887497060.db2.gz MDRUOBIAFJJDER-NXEZZACHSA-N -1 3 397.324 3.573 20 0 GHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccsc2)no1 ZINC000864097618 887545746 /nfs/dbraw/zinc/54/57/46/887545746.db2.gz ZHFBIRHEMUOXKL-CQSZACIVSA-N -1 3 395.531 3.571 20 0 GHADHM Cc1cc(C)cc(C[C@H](NCc2nccc(C)c2Br)C(=O)[O-])c1 ZINC000864506805 887811872 /nfs/dbraw/zinc/81/18/72/887811872.db2.gz BBZPQOUZXUVTIP-HNNXBMFYSA-N -1 3 377.282 3.555 20 0 GHADHM O=C([O-])C[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC000864519980 887823605 /nfs/dbraw/zinc/82/36/05/887823605.db2.gz GTXWQBWIPLUCCK-MRXNPFEDSA-N -1 3 380.851 3.573 20 0 GHADHM CCc1cc2c(CN3CCO[C@@H](c4cccc(OC)c4)C3)cc(=O)oc2cc1[O-] ZINC000120327639 888130306 /nfs/dbraw/zinc/13/03/06/888130306.db2.gz ZNLNZTRTIQQOQX-JOCHJYFZSA-N -1 3 395.455 3.643 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810067584 888155000 /nfs/dbraw/zinc/15/50/00/888155000.db2.gz WSBQIGPNZZQJPM-HUUCEWRRSA-N -1 3 399.457 3.529 20 0 GHADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1)O[C@H](C)C2 ZINC000747599904 888313080 /nfs/dbraw/zinc/31/30/80/888313080.db2.gz AXTNUTDEQUSTCM-LJTDUEICSA-N -1 3 377.437 3.960 20 0 GHADHM O=C(Nc1ccc(NCc2cccc([O-])c2Br)cc1)[C@H]1CCCO1 ZINC000459378808 888417193 /nfs/dbraw/zinc/41/71/93/888417193.db2.gz ZGLDAKNNZDXSRI-MRXNPFEDSA-N -1 3 391.265 3.884 20 0 GHADHM CCOc1ccc(-c2nc(CNC3(C(=O)[O-])CCCC3)cs2)cc1OC ZINC000532711568 888469887 /nfs/dbraw/zinc/46/98/87/888469887.db2.gz HPRKNPHIYULGFE-UHFFFAOYSA-N -1 3 376.478 3.704 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(C(C)=O)c3)c2)n1 ZINC000193835768 888530454 /nfs/dbraw/zinc/53/04/54/888530454.db2.gz LYDWTSPTMKQZLV-UHFFFAOYSA-N -1 3 375.428 3.763 20 0 GHADHM COc1cccc([N-]S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c1 ZINC000794863374 888553870 /nfs/dbraw/zinc/55/38/70/888553870.db2.gz HMMTYWAWIFUIHL-UHFFFAOYSA-N -1 3 396.262 3.633 20 0 GHADHM CCCCc1ccc(NC(=S)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000916011408 888645769 /nfs/dbraw/zinc/64/57/69/888645769.db2.gz ONUBZZYIVBVWIK-UHFFFAOYSA-N -1 3 397.544 3.890 20 0 GHADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000747616603 888701968 /nfs/dbraw/zinc/70/19/68/888701968.db2.gz NBFRUVKRSFZXPN-KPKJPENVSA-N -1 3 389.473 3.769 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2ccccc2F)C1 ZINC000810647843 888744636 /nfs/dbraw/zinc/74/46/36/888744636.db2.gz PLJXLYSFCAUDKI-AWEZNQCLSA-N -1 3 382.357 3.919 20 0 GHADHM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000796103936 913279620 /nfs/dbraw/zinc/27/96/20/913279620.db2.gz MIFSGGCUCOMTHX-BDJLRTHQSA-N -1 3 391.386 3.553 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000810748608 888847290 /nfs/dbraw/zinc/84/72/90/888847290.db2.gz HWTQUHOWYNZFKK-WBMJQRKESA-N -1 3 382.888 3.811 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(=O)[n-]1 ZINC000287364190 913290179 /nfs/dbraw/zinc/29/01/79/913290179.db2.gz WWJWGZIRRSNCQS-UHFFFAOYSA-N -1 3 396.466 3.758 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC(F)(F)F ZINC000121135317 888960496 /nfs/dbraw/zinc/96/04/96/888960496.db2.gz WDIUYJVLOYXHNR-UHFFFAOYSA-N -1 3 391.342 3.654 20 0 GHADHM Cc1nc(-c2cc([C@H](C)NCc3nc4c(c(=O)[n-]3)COCC4)cs2)cs1 ZINC000866628958 888980647 /nfs/dbraw/zinc/98/06/47/888980647.db2.gz VENVYKXJZZKSJM-JTQLQIEISA-N -1 3 388.518 3.599 20 0 GHADHM CCOc1ccc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000016168475 889024511 /nfs/dbraw/zinc/02/45/11/889024511.db2.gz ZTVOOMVHKADLTJ-UHFFFAOYSA-N -1 3 390.486 3.771 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1cccc(C2CC2)c1 ZINC001211978159 889052825 /nfs/dbraw/zinc/05/28/25/889052825.db2.gz BEIFLRPEAYIESM-JBEBIEQOSA-N -1 3 384.567 3.890 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000532865100 889160816 /nfs/dbraw/zinc/16/08/16/889160816.db2.gz KHYJOSXEQINMKW-UHFFFAOYSA-N -1 3 398.879 3.625 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000532865100 889160826 /nfs/dbraw/zinc/16/08/26/889160826.db2.gz KHYJOSXEQINMKW-UHFFFAOYSA-N -1 3 398.879 3.625 20 0 GHADHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000123575612 889335189 /nfs/dbraw/zinc/33/51/89/889335189.db2.gz GYHIOOJROUFATL-UHFFFAOYSA-N -1 3 381.413 3.504 20 0 GHADHM CC[C@@H](C)N1C(=O)C[C@@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321613 913336641 /nfs/dbraw/zinc/33/66/41/913336641.db2.gz DYEDWVPAOYCAQI-CWTRNNRKSA-N -1 3 399.318 3.839 20 0 GHADHM CC(C)=CCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868533532 889489598 /nfs/dbraw/zinc/48/95/98/889489598.db2.gz FSTFJGIDMDZKGC-CQSZACIVSA-N -1 3 383.414 3.725 20 0 GHADHM CCc1cccc(CC)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124117295 889512202 /nfs/dbraw/zinc/51/22/02/889512202.db2.gz STIHGFCLNMRJSN-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H]2CCOc3ccccc3O2)c([O-])c1 ZINC001184714638 913378240 /nfs/dbraw/zinc/37/82/40/913378240.db2.gz HNUPLVIFZXXPFD-GOSISDBHSA-N -1 3 385.416 3.516 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000124778270 889758598 /nfs/dbraw/zinc/75/85/98/889758598.db2.gz GTIJDQINRGMKHV-UHFFFAOYSA-N -1 3 380.400 3.795 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1Cl ZINC000533179302 889917610 /nfs/dbraw/zinc/91/76/10/889917610.db2.gz GFRCOYCFXSFVID-GLQYFDAESA-N -1 3 376.305 3.619 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c(C)c1 ZINC000125580531 890043160 /nfs/dbraw/zinc/04/31/60/890043160.db2.gz PIBJMYVVHTTYCB-UHFFFAOYSA-N -1 3 386.429 3.650 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874100 890068247 /nfs/dbraw/zinc/06/82/47/890068247.db2.gz IEJLATMDMBFADO-OWCLPIDISA-N -1 3 391.478 3.691 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874098 890068639 /nfs/dbraw/zinc/06/86/39/890068639.db2.gz IEJLATMDMBFADO-HRCADAONSA-N -1 3 391.478 3.691 20 0 GHADHM CC(C)(C)[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812003478 890228030 /nfs/dbraw/zinc/22/80/30/890228030.db2.gz DZIXULIGPSXVMA-GOEBONIOSA-N -1 3 399.457 3.874 20 0 GHADHM Cc1ccc(-n2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c(C(C)(C)C)n2)cc1 ZINC000125977142 890301514 /nfs/dbraw/zinc/30/15/14/890301514.db2.gz FGPMYRDHSPCRKI-UHFFFAOYSA-N -1 3 392.385 3.867 20 0 GHADHM Cc1ccc(-n2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c(C(C)(C)C)n2)cc1 ZINC000125977142 890301530 /nfs/dbraw/zinc/30/15/30/890301530.db2.gz FGPMYRDHSPCRKI-UHFFFAOYSA-N -1 3 392.385 3.867 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)c1[O-] ZINC000445377868 890361105 /nfs/dbraw/zinc/36/11/05/890361105.db2.gz XZZKLDKRMACQKM-UHFFFAOYSA-N -1 3 394.214 3.939 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812197697 890408212 /nfs/dbraw/zinc/40/82/12/890408212.db2.gz JBQHYUOEHJPWPQ-BZUAXINKSA-N -1 3 391.478 3.691 20 0 GHADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000208285203 890431121 /nfs/dbraw/zinc/43/11/21/890431121.db2.gz MAYGMCGBHLBKOF-QXMHVHEDSA-N -1 3 385.894 3.546 20 0 GHADHM Cc1cc(C)nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000126277174 890453445 /nfs/dbraw/zinc/45/34/45/890453445.db2.gz GMLSPXODDBPYKP-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCOCCOc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126577899 890599273 /nfs/dbraw/zinc/59/92/73/890599273.db2.gz TYNDELDBROFXRF-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM Cc1ncccc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127187598 890943979 /nfs/dbraw/zinc/94/39/79/890943979.db2.gz LYJNARDCFYBQKF-UHFFFAOYSA-N -1 3 381.501 3.823 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000123813567 891038036 /nfs/dbraw/zinc/03/80/36/891038036.db2.gz DZAYTBDBNQRTED-BONVTDFDSA-N -1 3 392.279 3.923 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000542603805 891062715 /nfs/dbraw/zinc/06/27/15/891062715.db2.gz RHMGLMPOPTYLTB-INIZCTEOSA-N -1 3 399.369 3.648 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(C)c1 ZINC000533674800 891083833 /nfs/dbraw/zinc/08/38/33/891083833.db2.gz KDOUTWLSDWYESA-UHFFFAOYSA-N -1 3 376.460 3.811 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC2(C)C)cc1Cl ZINC000127657532 891192447 /nfs/dbraw/zinc/19/24/47/891192447.db2.gz YMNVCLZVJSNANI-OAHLLOKOSA-N -1 3 376.881 3.685 20 0 GHADHM COc1cc(Br)c(CO[N-]C(=O)Cc2ccc(C)cc2)cc1OC ZINC000747833955 891230507 /nfs/dbraw/zinc/23/05/07/891230507.db2.gz GQQNYPFVJQQOIK-UHFFFAOYSA-N -1 3 394.265 3.565 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000127749920 891231793 /nfs/dbraw/zinc/23/17/93/891231793.db2.gz VPXWASYORNCKDQ-QGZVFWFLSA-N -1 3 378.519 3.876 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccc(F)cc1 ZINC000872323116 891237836 /nfs/dbraw/zinc/23/78/36/891237836.db2.gz BRSXLPHGXBOXEX-JKSUJKDBSA-N -1 3 391.826 3.551 20 0 GHADHM CCCn1c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)nc2ccccc21 ZINC000872323226 891238369 /nfs/dbraw/zinc/23/83/69/891238369.db2.gz FNYUPRNNDJPJBU-MSOLQXFVSA-N -1 3 381.451 3.886 20 0 GHADHM CCOc1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c(F)cc1OC ZINC000872323786 891240037 /nfs/dbraw/zinc/24/00/37/891240037.db2.gz YHCBPVNCNANKHG-SJORKVTESA-N -1 3 391.414 3.672 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2csc(-c3ccccn3)n2)c1F ZINC000813306181 891496327 /nfs/dbraw/zinc/49/63/27/891496327.db2.gz NOZAETFYAKGDMW-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM Cc1ccc(S[C@H](C(=O)NCCCc2cc(=O)[nH][n-]2)c2ccccc2)c(C)c1 ZINC000614920324 891594695 /nfs/dbraw/zinc/59/46/95/891594695.db2.gz AGFHHZDPEBWVGK-NRFANRHFSA-N -1 3 395.528 3.909 20 0 GHADHM Cc1ccc(SCc2cccc(C(=O)NCCCc3cc(=O)[nH][n-]3)c2)c(C)c1 ZINC000614922729 891599540 /nfs/dbraw/zinc/59/95/40/891599540.db2.gz SOFPDECBYXKICO-UHFFFAOYSA-N -1 3 395.528 3.982 20 0 GHADHM CCc1ccc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)s1 ZINC000825704841 891884332 /nfs/dbraw/zinc/88/43/32/891884332.db2.gz OEFZQYOZAPOHJN-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001212088177 891964723 /nfs/dbraw/zinc/96/47/23/891964723.db2.gz IEOZDAADXFTHNA-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM Cc1cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)ccc1F ZINC001212097725 891969447 /nfs/dbraw/zinc/96/94/47/891969447.db2.gz GVAFAPSHNZNVEM-KRWDZBQOSA-N -1 3 395.390 3.629 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000874401723 892117539 /nfs/dbraw/zinc/11/75/39/892117539.db2.gz PARXZHIUMOMVPP-OAQYLSRUSA-N -1 3 397.519 3.685 20 0 GHADHM Cc1cc(Br)c(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874929676 892379236 /nfs/dbraw/zinc/37/92/36/892379236.db2.gz MBRYODYXUPAYCN-RUDMXATFSA-N -1 3 377.057 3.844 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(F)c(Br)cc1F ZINC001185083393 913655946 /nfs/dbraw/zinc/65/59/46/913655946.db2.gz IDHASCFZKCRXGV-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)cs2)o1 ZINC000497796126 892422534 /nfs/dbraw/zinc/42/25/34/892422534.db2.gz VVGQEJFQVSAGLA-UHFFFAOYSA-N -1 3 382.850 3.712 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2nc(-c3c(F)cccc3F)cs2)c[n-]1 ZINC000814530975 892830223 /nfs/dbraw/zinc/83/02/23/892830223.db2.gz MMKYHEGHNYSJSU-UHFFFAOYSA-N -1 3 378.356 3.560 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c[n-]1 ZINC000814529960 892862881 /nfs/dbraw/zinc/86/28/81/892862881.db2.gz DQYUNWHIFBSCEZ-IBGZPJMESA-N -1 3 392.411 3.647 20 0 GHADHM CN1C(=O)C[C@H](NCc2cccc([O-])c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000645169628 913723779 /nfs/dbraw/zinc/72/37/79/913723779.db2.gz CPHAPUNTIUXMLR-KSSFIOAISA-N -1 3 383.250 3.900 20 0 GHADHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])n1 ZINC001137105665 893111966 /nfs/dbraw/zinc/11/19/66/893111966.db2.gz DLHKKHKUZHYMMQ-LLVKDONJSA-N -1 3 385.445 3.664 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000562949456 893207394 /nfs/dbraw/zinc/20/73/94/893207394.db2.gz FRWCXAFNZIUARH-CQSZACIVSA-N -1 3 387.505 3.696 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccn(Cc4ccccc4)c3)nc21 ZINC001134753328 893288973 /nfs/dbraw/zinc/28/89/73/893288973.db2.gz JMRINSPYXNREAV-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccccc1 ZINC001185253408 913762420 /nfs/dbraw/zinc/76/24/20/913762420.db2.gz ZJJHMPXOAWSEHQ-CYBMUJFWSA-N -1 3 379.869 3.594 20 0 GHADHM C[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000459393195 893449389 /nfs/dbraw/zinc/44/93/89/893449389.db2.gz MHSKCCNXQSQHMO-INIZCTEOSA-N -1 3 388.471 3.827 20 0 GHADHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000187480622 893451191 /nfs/dbraw/zinc/45/11/91/893451191.db2.gz SGZYHGSVYUVLJO-HNNXBMFYSA-N -1 3 396.809 3.934 20 0 GHADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000129481443 893480256 /nfs/dbraw/zinc/48/02/56/893480256.db2.gz PYNYSYGWLKGUJR-INIZCTEOSA-N -1 3 375.490 3.513 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(=O)[nH]1 ZINC000129500325 893513053 /nfs/dbraw/zinc/51/30/53/893513053.db2.gz OSFOWIFSUXOKDM-UHFFFAOYSA-N -1 3 377.425 3.918 20 0 GHADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934361193 893571691 /nfs/dbraw/zinc/57/16/91/893571691.db2.gz AWKQFVHRLMQMAL-UWVGGRQHSA-N -1 3 388.336 3.905 20 0 GHADHM CCOc1cc(CN2CC(n3cc(-c4ccccc4)nn3)C2)cc(Cl)c1[O-] ZINC000459467336 893583994 /nfs/dbraw/zinc/58/39/94/893583994.db2.gz AZBMHHFGYCLADX-UHFFFAOYSA-N -1 3 384.867 3.760 20 0 GHADHM COc1ccccc1C1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000815303162 893700022 /nfs/dbraw/zinc/70/00/22/893700022.db2.gz WLZRNGNYWNJHTQ-UHFFFAOYSA-N -1 3 387.398 3.509 20 0 GHADHM [O-]c1cccc(CNc2cc(F)c(N3CCOCC3)cc2F)c1Br ZINC000459546223 893776222 /nfs/dbraw/zinc/77/62/22/893776222.db2.gz HLIKXMIVZUZFGK-UHFFFAOYSA-N -1 3 399.235 3.882 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000126694697 893793620 /nfs/dbraw/zinc/79/36/20/893793620.db2.gz ZJDHEZQFKDWRGL-UHFFFAOYSA-N -1 3 382.214 3.711 20 0 GHADHM CCOc1cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc(Cl)c1[O-] ZINC000459575649 893846615 /nfs/dbraw/zinc/84/66/15/893846615.db2.gz UTUYLRRAFSWCPW-OXQOHEQNSA-N -1 3 379.859 3.744 20 0 GHADHM COc1cc(CN(C)Cc2nnc(-c3ccccc3[O-])o2)ccc1OC(F)F ZINC000877940907 893905832 /nfs/dbraw/zinc/90/58/32/893905832.db2.gz LRZYPYYTKYZGAH-UHFFFAOYSA-N -1 3 391.374 3.684 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccccn2)c1 ZINC000129909229 894049320 /nfs/dbraw/zinc/04/93/20/894049320.db2.gz PWIDMZAGIAYSPN-LJQANCHMSA-N -1 3 392.402 3.875 20 0 GHADHM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878270894 894143859 /nfs/dbraw/zinc/14/38/59/894143859.db2.gz ACSHIDXCSQVRPZ-UHFFFAOYSA-N -1 3 398.438 3.821 20 0 GHADHM O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878537765 894369880 /nfs/dbraw/zinc/36/98/80/894369880.db2.gz NEXAFSINOBQWKH-SFHVURJKSA-N -1 3 393.443 3.540 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2ccc(C(F)(F)C(F)(F)F)cc2)c[n-]1 ZINC000816031395 894407540 /nfs/dbraw/zinc/40/75/40/894407540.db2.gz WEWRDCKPSVXVEG-UHFFFAOYSA-N -1 3 377.265 3.812 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@H]2c3ccccc3CC23CCOCC3)o1 ZINC000878632978 894470784 /nfs/dbraw/zinc/47/07/84/894470784.db2.gz UXGDUPLEYCKJLK-FQEVSTJZSA-N -1 3 377.444 3.626 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(F)(F)F ZINC000816309639 894684803 /nfs/dbraw/zinc/68/48/03/894684803.db2.gz AZSPIUMROJPACZ-SNVBAGLBSA-N -1 3 378.372 3.842 20 0 GHADHM O=C(Nc1c([O-])cc(Br)cc1Cl)c1nnc2ccccc2c1O ZINC000816590930 894935061 /nfs/dbraw/zinc/93/50/61/894935061.db2.gz PEHFVMIHOXDTAL-UHFFFAOYSA-N -1 3 394.612 3.709 20 0 GHADHM C[C@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000564570293 895090151 /nfs/dbraw/zinc/09/01/51/895090151.db2.gz LGMPZOVQCPHIDR-OXJNMPFZSA-N -1 3 390.499 3.530 20 0 GHADHM COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000816826836 895117647 /nfs/dbraw/zinc/11/76/47/895117647.db2.gz TYIWSMPAOUOWRD-NRFANRHFSA-N -1 3 381.453 3.564 20 0 GHADHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccc(Br)cc2)n[nH]1 ZINC000760323477 895189505 /nfs/dbraw/zinc/18/95/05/895189505.db2.gz PWYHCOCVBFKOQM-KTKRTIGZSA-N -1 3 384.299 3.927 20 0 GHADHM CCOc1cc(C(=O)N(C)CCCN(C)Cc2ccco2)cc(Cl)c1[O-] ZINC000565295989 895513483 /nfs/dbraw/zinc/51/34/83/895513483.db2.gz DRVNTPPUKDECAF-UHFFFAOYSA-N -1 3 380.872 3.631 20 0 GHADHM COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[N-]OCC2CC2)cc1 ZINC000817330280 895535067 /nfs/dbraw/zinc/53/50/67/895535067.db2.gz KFTVLBHTFXWELL-UHFFFAOYSA-N -1 3 377.444 3.548 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC001135921582 895609657 /nfs/dbraw/zinc/60/96/57/895609657.db2.gz OCKVUAQPPCJGLP-UHFFFAOYSA-N -1 3 388.467 3.726 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC000817447667 895646047 /nfs/dbraw/zinc/64/60/47/895646047.db2.gz QKCDAGXPOVXCHG-UHFFFAOYSA-N -1 3 392.337 3.650 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000826166806 895731313 /nfs/dbraw/zinc/73/13/13/895731313.db2.gz BOFYJLZZVWTVHN-GFCCVEGCSA-N -1 3 386.839 3.621 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000826166806 895731323 /nfs/dbraw/zinc/73/13/23/895731323.db2.gz BOFYJLZZVWTVHN-GFCCVEGCSA-N -1 3 386.839 3.621 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000645633757 913997999 /nfs/dbraw/zinc/99/79/99/913997999.db2.gz NLCSAAQNEZLTFV-CYBMUJFWSA-N -1 3 395.349 3.945 20 0 GHADHM COCCOc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC001135957447 895786644 /nfs/dbraw/zinc/78/66/44/895786644.db2.gz HHEJWFANZRPYSG-UHFFFAOYSA-N -1 3 394.427 3.644 20 0 GHADHM COc1cccc(C(NC(=O)c2ccc(OC)cc2[O-])c2cccc(OC)c2)c1 ZINC001137158651 895815908 /nfs/dbraw/zinc/81/59/08/895815908.db2.gz BPOZKRHJYHWINO-UHFFFAOYSA-N -1 3 393.439 3.937 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000565722085 895831373 /nfs/dbraw/zinc/83/13/73/895831373.db2.gz FLBDJIJULBEKEO-JOCHJYFZSA-N -1 3 378.497 3.962 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(N)cc2[O-])cc1Cl ZINC000817924538 895964042 /nfs/dbraw/zinc/96/40/42/895964042.db2.gz HVNBHTFQNGJHCQ-UHFFFAOYSA-N -1 3 375.856 3.799 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C2(C)CCC3(CC2)OCCO3)c([O-])c1 ZINC001185696412 914025892 /nfs/dbraw/zinc/02/58/92/914025892.db2.gz PJJLOYJOQIWCND-UHFFFAOYSA-N -1 3 391.464 3.609 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1C(F)(F)F)C1CC1)c1ccc(Cl)nc1 ZINC001185713603 914040437 /nfs/dbraw/zinc/04/04/37/914040437.db2.gz BQHAKRUYBFBZSU-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(CC(=O)OC(C)(C)C)CCC3)cc2)n1 ZINC000566256526 896202775 /nfs/dbraw/zinc/20/27/75/896202775.db2.gz DASFSCGPEZXVDJ-UHFFFAOYSA-N -1 3 397.475 3.586 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1OC ZINC000566271902 896209471 /nfs/dbraw/zinc/20/94/71/896209471.db2.gz XDKKVCPFTWQHET-HZPDHXFCSA-N -1 3 380.510 3.612 20 0 GHADHM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566453869 896321646 /nfs/dbraw/zinc/32/16/46/896321646.db2.gz NCHKTLJWUYGYQV-HNNXBMFYSA-N -1 3 376.338 3.574 20 0 GHADHM O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000566591843 896399122 /nfs/dbraw/zinc/39/91/22/896399122.db2.gz QPHYZAUEBOSTAG-NRFANRHFSA-N -1 3 388.467 3.509 20 0 GHADHM CSC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826226583 896507608 /nfs/dbraw/zinc/50/76/08/896507608.db2.gz BZZGMCJLHQTHFH-UONOGXRCSA-N -1 3 381.505 3.710 20 0 GHADHM CSC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826226583 896507619 /nfs/dbraw/zinc/50/76/19/896507619.db2.gz BZZGMCJLHQTHFH-UONOGXRCSA-N -1 3 381.505 3.710 20 0 GHADHM COc1ccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)cc1OC ZINC000566743715 896536735 /nfs/dbraw/zinc/53/67/35/896536735.db2.gz RHTIKBIBKWNAEA-UHFFFAOYSA-N -1 3 378.494 3.760 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1csc(Br)c1)C(=O)[O-] ZINC000566803995 896584273 /nfs/dbraw/zinc/58/42/73/896584273.db2.gz VXMOPDSJQVXKPJ-KRWDZBQOSA-N -1 3 396.306 3.925 20 0 GHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)c2)n1 ZINC001136214961 896643720 /nfs/dbraw/zinc/64/37/20/896643720.db2.gz UIVUVOUVRWBUAT-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM O=c1cc(CN2CCN(CCc3ccccc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000796278974 914097734 /nfs/dbraw/zinc/09/77/34/914097734.db2.gz GFLZVMKHZBRGOP-UHFFFAOYSA-N -1 3 398.890 3.512 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826284310 896883794 /nfs/dbraw/zinc/88/37/94/896883794.db2.gz PYYFVKBTZZYSPQ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826284310 896883805 /nfs/dbraw/zinc/88/38/05/896883805.db2.gz PYYFVKBTZZYSPQ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826290997 896991952 /nfs/dbraw/zinc/99/19/52/896991952.db2.gz KJVSDNNDOCQTIB-UHFFFAOYSA-N -1 3 394.826 3.658 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)N[C@H](C)CCc2ccc(Br)cc2)n1 ZINC000065512099 897157978 /nfs/dbraw/zinc/15/79/78/897157978.db2.gz CPGKXODHOPWDCU-LLVKDONJSA-N -1 3 392.301 3.503 20 0 GHADHM O=C(Nc1cncc([O-])c1)C(O)(c1ccccc1Cl)c1ccccc1Cl ZINC001185845839 914136895 /nfs/dbraw/zinc/13/68/95/914136895.db2.gz FTHSUUNGJWRVNB-UHFFFAOYSA-N -1 3 389.238 3.969 20 0 GHADHM CCN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001136361550 897445803 /nfs/dbraw/zinc/44/58/03/897445803.db2.gz DYJQGBMVZKHILM-GXTWGEPZSA-N -1 3 379.913 3.800 20 0 GHADHM Cc1ccnc(NCc2cccc(COCc3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826314351 897458032 /nfs/dbraw/zinc/45/80/32/897458032.db2.gz SKPOIEFCJPYSOM-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccnc(NCc2cccc(COCc3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826314351 897458042 /nfs/dbraw/zinc/45/80/42/897458042.db2.gz SKPOIEFCJPYSOM-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cc3c(cccc3Cl)[nH]2)ccc1F ZINC000132099531 897666949 /nfs/dbraw/zinc/66/69/49/897666949.db2.gz XGOAXWNFHQWYRB-UHFFFAOYSA-N -1 3 396.827 3.689 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C\SCc1ccco1 ZINC000821100376 897744404 /nfs/dbraw/zinc/74/44/04/897744404.db2.gz ZARMMJQKHONKRY-XFXZXTDPSA-N -1 3 383.477 3.645 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C\SCc1ccco1 ZINC000821100376 897744410 /nfs/dbraw/zinc/74/44/10/897744410.db2.gz ZARMMJQKHONKRY-XFXZXTDPSA-N -1 3 383.477 3.645 20 0 GHADHM COc1ccn2c(c1)ncc2C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000821346821 897847010 /nfs/dbraw/zinc/84/70/10/897847010.db2.gz CTKGYAWDWJLTEX-SNVBAGLBSA-N -1 3 398.444 3.588 20 0 GHADHM COCc1nc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000821696811 898033709 /nfs/dbraw/zinc/03/37/09/898033709.db2.gz QIUSLDSBOUHELE-UHFFFAOYSA-N -1 3 395.444 3.841 20 0 GHADHM COCc1nc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000821696811 898033720 /nfs/dbraw/zinc/03/37/20/898033720.db2.gz QIUSLDSBOUHELE-UHFFFAOYSA-N -1 3 395.444 3.841 20 0 GHADHM FC(F)(F)c1cc(SCc2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000826368067 898185803 /nfs/dbraw/zinc/18/58/03/898185803.db2.gz AKTODKWGESYYRI-UHFFFAOYSA-N -1 3 376.367 3.826 20 0 GHADHM FC(F)(F)c1cc(SCc2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000826368067 898185807 /nfs/dbraw/zinc/18/58/07/898185807.db2.gz AKTODKWGESYYRI-UHFFFAOYSA-N -1 3 376.367 3.826 20 0 GHADHM Cc1csc([C@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)n1 ZINC000822410177 898359118 /nfs/dbraw/zinc/35/91/18/898359118.db2.gz YQSFCQXSFINEES-AWEZNQCLSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)n1 ZINC000822410177 898359129 /nfs/dbraw/zinc/35/91/29/898359129.db2.gz YQSFCQXSFINEES-AWEZNQCLSA-N -1 3 377.477 3.564 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000826372118 898402173 /nfs/dbraw/zinc/40/21/73/898402173.db2.gz INXHRVGFJZRYAT-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Clc1ccc([C@H]2CCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822574706 898488429 /nfs/dbraw/zinc/48/84/29/898488429.db2.gz XUCVZWUDXRZYGW-MRXNPFEDSA-N -1 3 393.838 3.517 20 0 GHADHM Clc1ccc([C@H]2CCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822574706 898488434 /nfs/dbraw/zinc/48/84/34/898488434.db2.gz XUCVZWUDXRZYGW-MRXNPFEDSA-N -1 3 393.838 3.517 20 0 GHADHM Clc1cnc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000822589912 898515326 /nfs/dbraw/zinc/51/53/26/898515326.db2.gz CYJFFBWMFSQTIX-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM Clc1cnc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000822589912 898515338 /nfs/dbraw/zinc/51/53/38/898515338.db2.gz CYJFFBWMFSQTIX-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1cccc(C)c1C ZINC000800110354 898614356 /nfs/dbraw/zinc/61/43/56/898614356.db2.gz KMABMMMMQRCSBJ-SYGIOELKSA-N -1 3 391.464 3.637 20 0 GHADHM O=C(Nc1nc(Cc2ccccc2)ns1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136676819 898845513 /nfs/dbraw/zinc/84/55/13/898845513.db2.gz QIPGWKRACUHCIN-UHFFFAOYSA-N -1 3 396.859 3.876 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000646200714 914319251 /nfs/dbraw/zinc/31/92/51/914319251.db2.gz KFRQBSXCJWNXSF-CABCVRRESA-N -1 3 397.475 3.502 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1[O-] ZINC000646215767 914326407 /nfs/dbraw/zinc/32/64/07/914326407.db2.gz PZAWKTZHMXGPPH-CYBMUJFWSA-N -1 3 382.460 3.649 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4nc5ccccc5cc4-c4nnn[n-]4)C3)nc2c1 ZINC000823801824 899267642 /nfs/dbraw/zinc/26/76/42/899267642.db2.gz CHXPQGLTDIBTOX-OAHLLOKOSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4nc5ccccc5cc4-c4nn[n-]n4)C3)nc2c1 ZINC000823801824 899267657 /nfs/dbraw/zinc/26/76/57/899267657.db2.gz CHXPQGLTDIBTOX-OAHLLOKOSA-N -1 3 397.442 3.940 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000824010068 899330772 /nfs/dbraw/zinc/33/07/72/899330772.db2.gz HQWVZPGRICUOGX-UHFFFAOYSA-N -1 3 375.354 3.725 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000824010068 899330779 /nfs/dbraw/zinc/33/07/79/899330779.db2.gz HQWVZPGRICUOGX-UHFFFAOYSA-N -1 3 375.354 3.725 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2ccc(F)cc2C(F)(F)F)c1 ZINC000824015789 899333528 /nfs/dbraw/zinc/33/35/28/899333528.db2.gz ZATDRVWTQPHFCW-UHFFFAOYSA-N -1 3 379.317 3.839 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2ccc(F)cc2C(F)(F)F)c1 ZINC000824015789 899333544 /nfs/dbraw/zinc/33/35/44/899333544.db2.gz ZATDRVWTQPHFCW-UHFFFAOYSA-N -1 3 379.317 3.839 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)c1ccco1 ZINC000117915395 899397727 /nfs/dbraw/zinc/39/77/27/899397727.db2.gz XRTYDRLWROZLCI-GOSISDBHSA-N -1 3 388.489 3.661 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C=Cc2cccc(OC3CCCC3)c2)n1 ZINC000824154948 899429809 /nfs/dbraw/zinc/42/98/09/899429809.db2.gz VNLDXDZLVZDXJD-QXMHVHEDSA-N -1 3 381.476 3.877 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Sc2nc3ccccc3s2)n1 ZINC000824154032 899429873 /nfs/dbraw/zinc/42/98/73/899429873.db2.gz DDXLNWMWEBBOMX-LLVKDONJSA-N -1 3 388.518 3.632 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ccc(O)cc21 ZINC000824172721 899441856 /nfs/dbraw/zinc/44/18/56/899441856.db2.gz QHJWXUKEUDZOER-UHFFFAOYSA-N -1 3 389.415 3.522 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1F ZINC001186186356 914348436 /nfs/dbraw/zinc/34/84/36/914348436.db2.gz OIEASTMQJCVCKC-HZSPNIEDSA-N -1 3 375.481 3.960 20 0 GHADHM C[C@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480099 899624076 /nfs/dbraw/zinc/62/40/76/899624076.db2.gz SXHPNECEAUWLRF-FGLWMGOFSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480099 899624085 /nfs/dbraw/zinc/62/40/85/899624085.db2.gz SXHPNECEAUWLRF-FGLWMGOFSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470419 899649784 /nfs/dbraw/zinc/64/97/84/899649784.db2.gz IDFJJGAUEBBZKA-QRQCRPRQSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470419 899649788 /nfs/dbraw/zinc/64/97/88/899649788.db2.gz IDFJJGAUEBBZKA-QRQCRPRQSA-N -1 3 391.475 3.528 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332921822 899878994 /nfs/dbraw/zinc/87/89/94/899878994.db2.gz MKFUJTIVIYGIMW-UHFFFAOYSA-N -1 3 395.684 3.862 20 0 GHADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCC[C@H]3CC(F)(F)F)cn21 ZINC000333088372 899949982 /nfs/dbraw/zinc/94/99/82/899949982.db2.gz ALGHEFTXLVCYCC-AGIUHOORSA-N -1 3 379.448 3.570 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1[O-] ZINC000825070777 899961851 /nfs/dbraw/zinc/96/18/51/899961851.db2.gz MELQUYLKDHZTKF-SUMWQHHRSA-N -1 3 390.480 3.503 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1F)c1ccc2nsnc2c1 ZINC001186261624 914397160 /nfs/dbraw/zinc/39/71/60/914397160.db2.gz UDHMMRCRCNKHOS-UHFFFAOYSA-N -1 3 377.344 3.650 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc(C)c1OC(F)F ZINC000825304947 900080465 /nfs/dbraw/zinc/08/04/65/900080465.db2.gz OTECNHUDVDCTEH-UHFFFAOYSA-N -1 3 377.391 3.598 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304918 900080819 /nfs/dbraw/zinc/08/08/19/900080819.db2.gz NVOHQWCFNHXYBH-SNAWJCMRSA-N -1 3 383.395 3.860 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304796 900082332 /nfs/dbraw/zinc/08/23/32/900082332.db2.gz KCDIUAGTHZRRJP-JXMROGBWSA-N -1 3 392.253 3.525 20 0 GHADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385392 900115344 /nfs/dbraw/zinc/11/53/44/900115344.db2.gz DXULQOOKKIHRFA-UHFFFAOYSA-N -1 3 396.813 3.874 20 0 GHADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385392 900115352 /nfs/dbraw/zinc/11/53/52/900115352.db2.gz DXULQOOKKIHRFA-UHFFFAOYSA-N -1 3 396.813 3.874 20 0 GHADHM CC1(C)C[C@@H](C(=O)OCc2nnc(-c3ccccc3[O-])o2)c2ccccc2O1 ZINC000884551416 900167934 /nfs/dbraw/zinc/16/79/34/900167934.db2.gz ZTBBOVAYJPBLSB-OAHLLOKOSA-N -1 3 380.400 3.830 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCc1ccc(Cl)cc1 ZINC000826421102 900228417 /nfs/dbraw/zinc/22/84/17/900228417.db2.gz RZNDPCYFTFPNGW-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCc1ccc(Cl)cc1 ZINC000826421102 900228430 /nfs/dbraw/zinc/22/84/30/900228430.db2.gz RZNDPCYFTFPNGW-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)c1[O-] ZINC000843886351 900288851 /nfs/dbraw/zinc/28/88/51/900288851.db2.gz NCKGWVNZVNYWKG-UHFFFAOYSA-N -1 3 376.453 3.761 20 0 GHADHM Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(N)cc1[O-] ZINC000844168765 900562179 /nfs/dbraw/zinc/56/21/79/900562179.db2.gz VYUXGCBPINFYIH-UHFFFAOYSA-N -1 3 377.448 3.520 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000885696228 900590503 /nfs/dbraw/zinc/59/05/03/900590503.db2.gz IYULHUDTVMXPMQ-SECBINFHSA-N -1 3 377.491 3.934 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826456026 900641054 /nfs/dbraw/zinc/64/10/54/900641054.db2.gz NFXMXADNWREEDR-AWEZNQCLSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826456026 900641062 /nfs/dbraw/zinc/64/10/62/900641062.db2.gz NFXMXADNWREEDR-AWEZNQCLSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1cccc2c1OCO2)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826456936 900652056 /nfs/dbraw/zinc/65/20/56/900652056.db2.gz FMYOJVAQKBEAAV-UHFFFAOYSA-N -1 3 385.383 3.515 20 0 GHADHM O=C(Nc1cccc2c1OCO2)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826456936 900652074 /nfs/dbraw/zinc/65/20/74/900652074.db2.gz FMYOJVAQKBEAAV-UHFFFAOYSA-N -1 3 385.383 3.515 20 0 GHADHM C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CCN1Cc1ccccc1 ZINC001171121685 900797674 /nfs/dbraw/zinc/79/76/74/900797674.db2.gz XNYWBRUBBXBBHZ-OAHLLOKOSA-N -1 3 398.890 3.858 20 0 GHADHM COc1ccsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158027569 900966015 /nfs/dbraw/zinc/96/60/15/900966015.db2.gz WBWIZTRPCKYKOE-AWEZNQCLSA-N -1 3 380.897 3.510 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCN([C@H](C)c3ncc(-c4ccc(Cl)cc4)o3)CC2)n1 ZINC000886656582 901209124 /nfs/dbraw/zinc/20/91/24/901209124.db2.gz LAVYHVUJIKXYEI-CQSZACIVSA-N -1 3 399.882 3.682 20 0 GHADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000575412865 901226893 /nfs/dbraw/zinc/22/68/93/901226893.db2.gz NCKMBGMWBQCSKV-MJGOQNOKSA-N -1 3 390.867 3.697 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000575752436 901275052 /nfs/dbraw/zinc/27/50/52/901275052.db2.gz QBYIIYUCXWIIPO-SFHVURJKSA-N -1 3 398.478 3.652 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(Oc2ccccc2)c1 ZINC000826522795 901388230 /nfs/dbraw/zinc/38/82/30/901388230.db2.gz OPWHWTAVPSDZGG-UHFFFAOYSA-N -1 3 383.415 3.919 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(Oc2ccccc2)c1 ZINC000826522795 901388243 /nfs/dbraw/zinc/38/82/43/901388243.db2.gz OPWHWTAVPSDZGG-UHFFFAOYSA-N -1 3 383.415 3.919 20 0 GHADHM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(C)C ZINC001137234287 901394338 /nfs/dbraw/zinc/39/43/38/901394338.db2.gz ITJRYWRUBGWSJE-SJORKVTESA-N -1 3 392.446 3.862 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000576209561 901818494 /nfs/dbraw/zinc/81/84/94/901818494.db2.gz PYPDIXQVPXYFIC-QFIPXVFZSA-N -1 3 386.451 3.593 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000576285402 901912174 /nfs/dbraw/zinc/91/21/74/901912174.db2.gz GJSRLIPWQKWIHF-FXAWDEMLSA-N -1 3 380.488 3.659 20 0 GHADHM CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194187 901930642 /nfs/dbraw/zinc/93/06/42/901930642.db2.gz VBACTDXWOCLLIX-UHFFFAOYSA-N -1 3 376.840 3.548 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]CC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC001186496152 914579720 /nfs/dbraw/zinc/57/97/20/914579720.db2.gz MQWBOFVJWUZKIG-UHFFFAOYSA-N -1 3 390.452 3.734 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000576755224 902237666 /nfs/dbraw/zinc/23/76/66/902237666.db2.gz UILHURXXAZHYRD-QGPMSJSTSA-N -1 3 378.488 3.604 20 0 GHADHM CC(=O)c1ccc(Nc2ccccc2C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001144503462 902283819 /nfs/dbraw/zinc/28/38/19/902283819.db2.gz XIEKLOWJVNJTNZ-MRXNPFEDSA-N -1 3 390.443 3.691 20 0 GHADHM C=CCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1Cl ZINC000158922310 902312108 /nfs/dbraw/zinc/31/21/08/902312108.db2.gz JGBAAKMBWQNKKO-UHFFFAOYSA-N -1 3 396.896 3.897 20 0 GHADHM O=C([N-]c1sc2c(c1C(=O)c1ccncc1)CCC2)c1cc(C2CC2)no1 ZINC000577048149 902464266 /nfs/dbraw/zinc/46/42/66/902464266.db2.gz PRNXUNIUGCDJFW-UHFFFAOYSA-N -1 3 379.441 3.981 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](c1ccccn1)C(C)C ZINC000845862081 902466637 /nfs/dbraw/zinc/46/66/37/902466637.db2.gz LXRKNCRDHKZLGC-CYBMUJFWSA-N -1 3 389.340 3.890 20 0 GHADHM Cc1ncc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c(=O)[n-]1 ZINC001186609971 914656812 /nfs/dbraw/zinc/65/68/12/914656812.db2.gz UFCWTRSIKXVXAV-UHFFFAOYSA-N -1 3 375.837 3.612 20 0 GHADHM COc1ccc(CN(C)Cc2cc(Br)ccc2C(=O)[O-])cc1OC ZINC000846230914 902804585 /nfs/dbraw/zinc/80/45/85/902804585.db2.gz WBXXVEYTKNSXSJ-UHFFFAOYSA-N -1 3 394.265 3.797 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000846243645 902818650 /nfs/dbraw/zinc/81/86/50/902818650.db2.gz GACPRLSZWJYNDB-HIZXUYSRSA-N -1 3 381.428 3.729 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H](O)c2cccc(Cl)c2)c([O-])c1 ZINC001144834195 903002185 /nfs/dbraw/zinc/00/21/85/903002185.db2.gz YIQZKIGCUTXISF-MRXNPFEDSA-N -1 3 377.824 3.673 20 0 GHADHM CCN(CC)C(=O)c1ccc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001212826288 903072219 /nfs/dbraw/zinc/07/22/19/903072219.db2.gz DAQZQUPWYJOHGX-UHFFFAOYSA-N -1 3 382.233 3.914 20 0 GHADHM CCOc1cccc(Cl)c1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000846912476 903328764 /nfs/dbraw/zinc/32/87/64/903328764.db2.gz ZBKYEQDQOKXZDA-GFCCVEGCSA-N -1 3 378.822 3.629 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(SCC(=O)Nc2cccc([O-])c2F)CC1 ZINC000779037713 903338138 /nfs/dbraw/zinc/33/81/38/903338138.db2.gz GJMBGVMVAQASIB-UHFFFAOYSA-N -1 3 384.473 3.603 20 0 GHADHM CC(=O)c1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1[O-] ZINC001147503576 903808060 /nfs/dbraw/zinc/80/80/60/903808060.db2.gz AZCVUFLKWJOMKV-HXUWFJFHSA-N -1 3 381.472 3.767 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC001171308785 903813747 /nfs/dbraw/zinc/81/37/47/903813747.db2.gz UIHARRNKNOYVOA-OAHLLOKOSA-N -1 3 376.298 3.714 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c([O-])c1 ZINC001147586358 903828400 /nfs/dbraw/zinc/82/84/00/903828400.db2.gz QKLIOEADEDHWKD-MSOLQXFVSA-N -1 3 380.488 3.534 20 0 GHADHM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646676001 914767628 /nfs/dbraw/zinc/76/76/28/914767628.db2.gz VRJHMJXTEAPBGK-UHFFFAOYSA-N -1 3 394.271 3.677 20 0 GHADHM COC(=O)c1c(C)c(Br)ccc1NC(=O)c1cccc(OC)c1[O-] ZINC001148203188 904014806 /nfs/dbraw/zinc/01/48/06/904014806.db2.gz YWWJTGPQHBJTIW-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)ccc1[O-] ZINC001148658018 904160533 /nfs/dbraw/zinc/16/05/33/904160533.db2.gz WPPQSYGJQWJSSU-UHFFFAOYSA-N -1 3 385.420 3.613 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ncc[nH]3)cc2)c([O-])c1 ZINC001148719178 904170331 /nfs/dbraw/zinc/17/03/31/904170331.db2.gz WWHAVLBRMFRUGF-UHFFFAOYSA-N -1 3 379.416 3.990 20 0 GHADHM CCC[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290699368 914791870 /nfs/dbraw/zinc/79/18/70/914791870.db2.gz NHRRHVJOLQOCSD-ZBFHGGJFSA-N -1 3 385.430 3.628 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc([C@@](C)(O)C(F)(F)F)cc3)n[n-]2)o1 ZINC000773001985 904359045 /nfs/dbraw/zinc/35/90/45/904359045.db2.gz PDADBGCZCGRGFZ-QGZVFWFLSA-N -1 3 380.322 3.967 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc([C@@](C)(O)C(F)(F)F)cc3)[n-]n2)o1 ZINC000773001985 904359059 /nfs/dbraw/zinc/35/90/59/904359059.db2.gz PDADBGCZCGRGFZ-QGZVFWFLSA-N -1 3 380.322 3.967 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000773234048 904600298 /nfs/dbraw/zinc/60/02/98/904600298.db2.gz ZGLKDMLKRRNKOC-UHFFFAOYSA-N -1 3 378.450 3.843 20 0 GHADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)C1=Cc2ccccc2OC1 ZINC000187835894 904842812 /nfs/dbraw/zinc/84/28/12/904842812.db2.gz HAPGUVFMTRLHTJ-SFHVURJKSA-N -1 3 384.482 3.585 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)c(C(F)(F)F)c1)c1ccco1 ZINC001186883804 914853342 /nfs/dbraw/zinc/85/33/42/914853342.db2.gz JQNRLDBQIPXZFZ-UHFFFAOYSA-N -1 3 384.173 3.539 20 0 GHADHM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188333330 904904954 /nfs/dbraw/zinc/90/49/54/904904954.db2.gz KUMRLCVMZUEYEF-UHFFFAOYSA-N -1 3 396.428 3.572 20 0 GHADHM CC(C)c1nnc2n1CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])[C@@H]2C ZINC000188801496 904982893 /nfs/dbraw/zinc/98/28/93/904982893.db2.gz UZXNIEIHLJNQGQ-MRXNPFEDSA-N -1 3 390.487 3.915 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000175767354 905662062 /nfs/dbraw/zinc/66/20/62/905662062.db2.gz QGIRNNHVOUMODH-UHFFFAOYSA-N -1 3 383.231 3.783 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000176467323 905850079 /nfs/dbraw/zinc/85/00/79/905850079.db2.gz UBSQMZAAFUEBHI-UHFFFAOYSA-N -1 3 388.518 3.960 20 0 GHADHM Cc1ccsc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176627979 905899292 /nfs/dbraw/zinc/89/92/92/905899292.db2.gz ZOSXGCLVQDNICG-UHFFFAOYSA-N -1 3 378.881 3.906 20 0 GHADHM O=c1nc(CSCc2noc(C3CC3)n2)[n-]c2scc(-c3ccco3)c21 ZINC000177804353 906219481 /nfs/dbraw/zinc/21/94/81/906219481.db2.gz FGVMYHBAAWOQFO-UHFFFAOYSA-N -1 3 386.458 3.938 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(c2ccccc2)CCOCC1 ZINC000178298408 906322564 /nfs/dbraw/zinc/32/25/64/906322564.db2.gz DFZRLEWKRLJIMK-UHFFFAOYSA-N -1 3 390.277 3.519 20 0 GHADHM Cc1cnccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000179858984 906620650 /nfs/dbraw/zinc/62/06/50/906620650.db2.gz MGMBPPVNGSOVPJ-UHFFFAOYSA-N -1 3 388.855 3.632 20 0 GHADHM CC(C)(C)c1cc(Br)ccc1-c1noc(-c2cnc[n-]c2=O)n1 ZINC001212754914 906678090 /nfs/dbraw/zinc/67/80/90/906678090.db2.gz VGEUVHPXLGYGSB-UHFFFAOYSA-N -1 3 375.226 3.959 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C)c1ccc(F)cc1 ZINC000629301708 906691171 /nfs/dbraw/zinc/69/11/71/906691171.db2.gz WAZSYPBGIGSXQG-CQSZACIVSA-N -1 3 392.374 3.677 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2ccc3c(c2)CO[C@H]3c2ccc(F)cc2)no1 ZINC001212753942 906694901 /nfs/dbraw/zinc/69/49/01/906694901.db2.gz WDDIYLXODQRKNC-KRWDZBQOSA-N -1 3 376.347 3.658 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)c(C)c1C ZINC000629332032 906714349 /nfs/dbraw/zinc/71/43/49/906714349.db2.gz CAHSTUKLKJKXMM-LBPRGKRZSA-N -1 3 388.489 3.583 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629364341 906735278 /nfs/dbraw/zinc/73/52/78/906735278.db2.gz LVZVCRHVUHOKAK-KRWDZBQOSA-N -1 3 385.247 3.572 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000629373919 906746882 /nfs/dbraw/zinc/74/68/82/906746882.db2.gz QBPYYGDGZMLAGN-RBSFLKMASA-N -1 3 395.381 3.831 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299288175 921280637 /nfs/dbraw/zinc/28/06/37/921280637.db2.gz RJBQGTFZNVGVDO-INIZCTEOSA-N -1 3 390.487 3.541 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCC12CC2 ZINC000629829463 907029894 /nfs/dbraw/zinc/02/98/94/907029894.db2.gz HBGGRATVDSGEFG-CTNGQTDRSA-N -1 3 392.499 3.950 20 0 GHADHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc2ccccc2c1[O-] ZINC000182065110 907126942 /nfs/dbraw/zinc/12/69/42/907126942.db2.gz PBUZNDXHJGWNAJ-UHFFFAOYSA-N -1 3 376.456 3.754 20 0 GHADHM [O-]c1cc(F)c(Nc2cc(CO)ccc2I)c(F)c1 ZINC001175103661 907360891 /nfs/dbraw/zinc/36/08/91/907360891.db2.gz VBAHKCITWGKCBF-UHFFFAOYSA-N -1 3 377.128 3.511 20 0 GHADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001175196333 907408824 /nfs/dbraw/zinc/40/88/24/907408824.db2.gz XOHKSTYKORIDRI-STQMWFEESA-N -1 3 398.463 3.569 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC001175428853 907548781 /nfs/dbraw/zinc/54/87/81/907548781.db2.gz OAQRUXZFEQCSEN-UHFFFAOYSA-N -1 3 378.436 3.861 20 0 GHADHM CC1(c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2Br)COC1 ZINC001175432329 907550652 /nfs/dbraw/zinc/55/06/52/907550652.db2.gz ALYBLGLAMTXPHQ-UHFFFAOYSA-N -1 3 386.253 3.661 20 0 GHADHM Cc1cc(CN2CCC(Oc3cccc(F)c3)CC2)cc(C)c1OCC(=O)[O-] ZINC000901538811 921338031 /nfs/dbraw/zinc/33/80/31/921338031.db2.gz QLAYQTKBQDPNKJ-UHFFFAOYSA-N -1 3 387.451 3.949 20 0 GHADHM CCc1cccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001175553832 907634867 /nfs/dbraw/zinc/63/48/67/907634867.db2.gz WRVYZEXFTBHICX-UHFFFAOYSA-N -1 3 384.457 3.819 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(-c2cccnc2)cc1)OCC ZINC001175888569 907794229 /nfs/dbraw/zinc/79/42/29/907794229.db2.gz XGOWWVVRJLQEHK-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000631882803 907868034 /nfs/dbraw/zinc/86/80/34/907868034.db2.gz MLIVLGUJJQPBJJ-LBPRGKRZSA-N -1 3 380.413 3.543 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)c1ncc(-c2ccccc2)o1 ZINC000632017104 907896609 /nfs/dbraw/zinc/89/66/09/907896609.db2.gz NIKIVYMSALJBLJ-CQSZACIVSA-N -1 3 386.477 3.693 20 0 GHADHM Cc1nc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000187617627 908113907 /nfs/dbraw/zinc/11/39/07/908113907.db2.gz CYJBISJLJUUVNX-CQSZACIVSA-N -1 3 396.310 3.966 20 0 GHADHM O=c1cc(CN2CCc3cc(Br)c(F)cc3C2)nc(C2CC2)[n-]1 ZINC001176687739 908212979 /nfs/dbraw/zinc/21/29/79/908212979.db2.gz MCBBHRWCQVQBTN-UHFFFAOYSA-N -1 3 378.245 3.520 20 0 GHADHM CC[C@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC001177649648 908700296 /nfs/dbraw/zinc/70/02/96/908700296.db2.gz QUKVQOLCZOOFEN-HNNXBMFYSA-N -1 3 379.382 3.888 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)CC2)c1 ZINC000634522110 908747698 /nfs/dbraw/zinc/74/76/98/908747698.db2.gz AZGZZNOMTKWARQ-MRXNPFEDSA-N -1 3 397.475 3.983 20 0 GHADHM CC(C)OC(=O)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001178162831 908916907 /nfs/dbraw/zinc/91/69/07/908916907.db2.gz BLAQUSRFIONGAL-UHFFFAOYSA-N -1 3 395.499 3.981 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266195309 909033097 /nfs/dbraw/zinc/03/30/97/909033097.db2.gz FZASMFWRKKNRGD-ZBFHGGJFSA-N -1 3 399.491 3.754 20 0 GHADHM CCC(CC)(CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)SC ZINC000266287992 909065170 /nfs/dbraw/zinc/06/51/70/909065170.db2.gz AFURJJXJHDOACT-UHFFFAOYSA-N -1 3 388.537 3.523 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)[n-]n1 ZINC001179076207 909375685 /nfs/dbraw/zinc/37/56/85/909375685.db2.gz URRSYGVGIWHFGH-UHFFFAOYSA-N -1 3 384.823 3.943 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)n[n-]1 ZINC001179076207 909375703 /nfs/dbraw/zinc/37/57/03/909375703.db2.gz URRSYGVGIWHFGH-UHFFFAOYSA-N -1 3 384.823 3.943 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2ccc(-c3ccccc3F)o2)n1 ZINC000636113420 909432909 /nfs/dbraw/zinc/43/29/09/909432909.db2.gz IQFPDWUVSOCLGD-UHFFFAOYSA-N -1 3 383.423 3.874 20 0 GHADHM C[C@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000773810231 909453540 /nfs/dbraw/zinc/45/35/40/909453540.db2.gz VFYCBRQCSXDKTD-GOEBONIOSA-N -1 3 394.487 3.758 20 0 GHADHM O=c1nc(CN2CCC[C@H](c3ncc[nH]3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000267427074 909494223 /nfs/dbraw/zinc/49/42/23/909494223.db2.gz LTAXFUQAXWECOA-LBPRGKRZSA-N -1 3 381.461 3.760 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000636283797 909518653 /nfs/dbraw/zinc/51/86/53/909518653.db2.gz HTNVQLXKRGHDGV-UHFFFAOYSA-N -1 3 394.258 3.693 20 0 GHADHM O=C(CCc1ccccc1OC(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319268 909537621 /nfs/dbraw/zinc/53/76/21/909537621.db2.gz PHZHGWYALGSJHO-UHFFFAOYSA-N -1 3 395.381 3.597 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1N1CCCC1 ZINC000267517764 909539605 /nfs/dbraw/zinc/53/96/05/909539605.db2.gz MOFZVWPGJNTCED-UHFFFAOYSA-N -1 3 383.473 3.650 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c(Cl)cccc1Br ZINC000636321545 909543315 /nfs/dbraw/zinc/54/33/15/909543315.db2.gz HONVBMCPMWZMLQ-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](Cc1ccc(OC)cc1)c1ccccc1 ZINC001180011498 909882884 /nfs/dbraw/zinc/88/28/84/909882884.db2.gz ISZYFMSTLNSSFL-SFHVURJKSA-N -1 3 393.443 3.560 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](Cc1ccc(OC)cc1)c1ccccc1 ZINC001180011498 909882900 /nfs/dbraw/zinc/88/29/00/909882900.db2.gz ISZYFMSTLNSSFL-SFHVURJKSA-N -1 3 393.443 3.560 20 0 GHADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001180029085 909898688 /nfs/dbraw/zinc/89/86/88/909898688.db2.gz YKBGWLYNUPMQHT-QNOZYLDQSA-N -1 3 386.540 3.510 20 0 GHADHM O=C(CSc1ccc2ccccc2n1)Nc1ncc([O-])cc1Br ZINC001180031794 909900463 /nfs/dbraw/zinc/90/04/63/909900463.db2.gz IOOVGHWCBVVECT-UHFFFAOYSA-N -1 3 390.262 3.829 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CCC(C(C)C)CC1 ZINC000268652900 909966150 /nfs/dbraw/zinc/96/61/50/909966150.db2.gz BHRZNXJZOZXJMA-UHFFFAOYSA-N -1 3 382.508 3.816 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180221341 910021891 /nfs/dbraw/zinc/02/18/91/910021891.db2.gz FUVSIFJKNXHMSW-WKILWMFISA-N -1 3 378.432 3.602 20 0 GHADHM C[C@@H](O)c1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)ccc1F ZINC000795387042 910152354 /nfs/dbraw/zinc/15/23/54/910152354.db2.gz JWMQJJOEWFAMSP-NXEZZACHSA-N -1 3 385.844 3.657 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)ccc2OCC2CC2)c(=O)[n-]1 ZINC000795440195 910316528 /nfs/dbraw/zinc/31/65/28/910316528.db2.gz BFAKROBBZFMHID-UHFFFAOYSA-N -1 3 376.840 3.527 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181183317 910595571 /nfs/dbraw/zinc/59/55/71/910595571.db2.gz BRWAEESPRHSMST-HNNXBMFYSA-N -1 3 388.439 3.853 20 0 GHADHM O=c1nc(CN2CCC[C@H]2c2ncccn2)[n-]c2scc(-c3ccco3)c21 ZINC000639847065 910705705 /nfs/dbraw/zinc/70/57/05/910705705.db2.gz YJODVAAJLRSZAI-ZDUSSCGKSA-N -1 3 379.445 3.784 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1ccco1)C(C)C ZINC000299703814 921600102 /nfs/dbraw/zinc/60/01/02/921600102.db2.gz RNOAEWJYEHDZJQ-UHFFFAOYSA-N -1 3 380.448 3.515 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000271224009 910824580 /nfs/dbraw/zinc/82/45/80/910824580.db2.gz DMILQZWGMPFCQJ-AWEZNQCLSA-N -1 3 375.469 3.904 20 0 GHADHM COCc1cccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Br)c2)c1 ZINC000901829392 921612259 /nfs/dbraw/zinc/61/22/59/921612259.db2.gz OVOMHLNDWFBVJB-KRWDZBQOSA-N -1 3 394.265 3.520 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001181635444 910863123 /nfs/dbraw/zinc/86/31/23/910863123.db2.gz ZJLKBOMTJIBEBD-UKRRQHHQSA-N -1 3 394.443 3.519 20 0 GHADHM O=C(Cc1cccc(C(F)(F)F)c1Cl)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001181712453 910927443 /nfs/dbraw/zinc/92/74/43/910927443.db2.gz IZSIXQYJGFYLPF-UHFFFAOYSA-N -1 3 397.740 3.894 20 0 GHADHM Cc1ccncc1[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000773942021 910955052 /nfs/dbraw/zinc/95/50/52/910955052.db2.gz IKOWHCSAKYRVQW-CYBMUJFWSA-N -1 3 394.468 3.524 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640292893 910955643 /nfs/dbraw/zinc/95/56/43/910955643.db2.gz OXJVNXWYSNLIBK-GFCCVEGCSA-N -1 3 386.805 3.851 20 0 GHADHM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640314131 910965363 /nfs/dbraw/zinc/96/53/63/910965363.db2.gz CODYGPKLQMGLGZ-SWLSCSKDSA-N -1 3 377.286 3.610 20 0 GHADHM Cc1[nH]nc(NC(=O)CCCc2ccc([O-])c(F)c2)c1-c1ccc2c(c1)OCO2 ZINC001182019863 911154073 /nfs/dbraw/zinc/15/40/73/911154073.db2.gz PDOYXHNNALZDQJ-UHFFFAOYSA-N -1 3 397.406 3.920 20 0 GHADHM COc1cc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000366502484 921653484 /nfs/dbraw/zinc/65/34/84/921653484.db2.gz YFZOMTBQKOUYAX-INIZCTEOSA-N -1 3 388.851 3.606 20 0 GHADHM CCCOc1c(Cl)cc(CN2CCC[C@](COC)(C(=O)[O-])C2)cc1OCC ZINC000901865305 921657535 /nfs/dbraw/zinc/65/75/35/921657535.db2.gz OBQIOZRZKVOHMT-FQEVSTJZSA-N -1 3 399.915 3.841 20 0 GHADHM CC1(CS(=O)(=O)[N-]C2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)CCC1 ZINC000641391095 911400434 /nfs/dbraw/zinc/40/04/34/911400434.db2.gz MMOWUHXETPEUOE-HNNXBMFYSA-N -1 3 397.541 3.580 20 0 GHADHM COc1cc(C)ccc1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001182462002 911751717 /nfs/dbraw/zinc/75/17/17/911751717.db2.gz NRHSXLUTGUNLCK-INIZCTEOSA-N -1 3 378.394 3.613 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000284431929 911863356 /nfs/dbraw/zinc/86/33/56/911863356.db2.gz ATPLCQLVEMFXAI-UHFFFAOYSA-N -1 3 390.292 3.865 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000642323548 911981215 /nfs/dbraw/zinc/98/12/15/911981215.db2.gz SBTDSFJDXUXCMP-UHFFFAOYSA-N -1 3 375.222 3.682 20 0 GHADHM CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccc(C)cc1 ZINC000642323464 911981298 /nfs/dbraw/zinc/98/12/98/911981298.db2.gz AFJSKCNAFYQOQI-MRXNPFEDSA-N -1 3 391.265 3.669 20 0 GHADHM O=C(COCc1nc2ccccc2s1)Nc1ccc(Br)cc1[O-] ZINC000642323781 911982185 /nfs/dbraw/zinc/98/21/85/911982185.db2.gz RSJNBYKQBCRIHB-UHFFFAOYSA-N -1 3 393.262 3.920 20 0 GHADHM O=C([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1cc2c[nH]ccc-2n1 ZINC001299404608 912039745 /nfs/dbraw/zinc/03/97/45/912039745.db2.gz HDZHEEJFRSUZPX-UHFFFAOYSA-N -1 3 385.836 3.899 20 0 GHADHM CC[C@@](CNCc1nccc(C)c1Br)(C(=O)[O-])c1ccccc1 ZINC000901898828 921715509 /nfs/dbraw/zinc/71/55/09/921715509.db2.gz NDBXGYLEWANIBJ-SFHVURJKSA-N -1 3 377.282 3.675 20 0 GHADHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182885619 912111904 /nfs/dbraw/zinc/11/19/04/912111904.db2.gz RWPZLOUESJZJPX-GXTWGEPZSA-N -1 3 396.878 3.706 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)C(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC001182893762 912120478 /nfs/dbraw/zinc/12/04/78/912120478.db2.gz LLGSBYHSXHTJNF-UHFFFAOYSA-N -1 3 398.802 3.993 20 0 GHADHM COc1ccc([C@H](C(=O)Nc2ncc([O-])cc2Br)C(C)C)cc1 ZINC001182985781 912199149 /nfs/dbraw/zinc/19/91/49/912199149.db2.gz RJYFJSNQTUUXKK-OAHLLOKOSA-N -1 3 379.254 3.937 20 0 GHADHM O=C(Nc1cc(F)cc2c1-c1ccc(F)cc1C2)c1ccccc1-c1nnn[n-]1 ZINC001187006666 914935981 /nfs/dbraw/zinc/93/59/81/914935981.db2.gz GVHVDSGTZOWGCK-UHFFFAOYSA-N -1 3 389.365 3.968 20 0 GHADHM O=C(Nc1cc(F)cc2c1-c1ccc(F)cc1C2)c1ccccc1-c1nn[n-]n1 ZINC001187006666 914935989 /nfs/dbraw/zinc/93/59/89/914935989.db2.gz GVHVDSGTZOWGCK-UHFFFAOYSA-N -1 3 389.365 3.968 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2ccccc2-c2nnn[n-]2)c2ccccc2)cc1 ZINC001187007657 914937767 /nfs/dbraw/zinc/93/77/67/914937767.db2.gz FMAXBWWZQDKESP-NRFANRHFSA-N -1 3 383.455 3.889 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2ccccc2-c2nn[n-]n2)c2ccccc2)cc1 ZINC001187007657 914937776 /nfs/dbraw/zinc/93/77/76/914937776.db2.gz FMAXBWWZQDKESP-NRFANRHFSA-N -1 3 383.455 3.889 20 0 GHADHM O=C(NCC1c2ccccc2CCc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC001187008462 914938731 /nfs/dbraw/zinc/93/87/31/914938731.db2.gz NFGIQZGBMVDHDG-UHFFFAOYSA-N -1 3 395.466 3.527 20 0 GHADHM O=C(NCC1c2ccccc2CCc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC001187008462 914938742 /nfs/dbraw/zinc/93/87/42/914938742.db2.gz NFGIQZGBMVDHDG-UHFFFAOYSA-N -1 3 395.466 3.527 20 0 GHADHM CCc1cc2ncc([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)cn2n1 ZINC001187043142 914977277 /nfs/dbraw/zinc/97/72/77/914977277.db2.gz HQJHPSTYLIPIMJ-UHFFFAOYSA-N -1 3 385.276 3.540 20 0 GHADHM CCC1(C)CN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])C1 ZINC000291129592 914996373 /nfs/dbraw/zinc/99/63/73/914996373.db2.gz WBRLNGIEEHGHOZ-UHFFFAOYSA-N -1 3 398.459 3.534 20 0 GHADHM COCCCOc1cccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000901932284 921742898 /nfs/dbraw/zinc/74/28/98/921742898.db2.gz SBLHWRAGEWWWQE-UHFFFAOYSA-N -1 3 390.505 3.636 20 0 GHADHM O=S(=O)(CCCC1CCOCC1)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000647266210 915116056 /nfs/dbraw/zinc/11/60/56/915116056.db2.gz BBJMLFPXMKWCGU-UHFFFAOYSA-N -1 3 376.478 3.822 20 0 GHADHM COC[C@H](C)Oc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000901934900 921751999 /nfs/dbraw/zinc/75/19/99/921751999.db2.gz SFXHRGNOUNNSNO-AWEZNQCLSA-N -1 3 390.505 3.635 20 0 GHADHM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(C)c(F)cc3F)C2)cc1 ZINC001187432557 915287703 /nfs/dbraw/zinc/28/77/03/915287703.db2.gz HETZZDFIGCNCOA-OAHLLOKOSA-N -1 3 380.460 3.529 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OCCc2ccccc2)cc1 ZINC001187529896 915333075 /nfs/dbraw/zinc/33/30/75/915333075.db2.gz KYNLUDIZMUGJIA-UHFFFAOYSA-N -1 3 376.338 3.697 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OCCc2ccccc2)cc1 ZINC001187529896 915333094 /nfs/dbraw/zinc/33/30/94/915333094.db2.gz KYNLUDIZMUGJIA-UHFFFAOYSA-N -1 3 376.338 3.697 20 0 GHADHM O=C(Nc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1)c1cccs1 ZINC000647801648 915389824 /nfs/dbraw/zinc/38/98/24/915389824.db2.gz OMTCPGNNONZKCN-UHFFFAOYSA-N -1 3 378.413 3.835 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1NC(=O)OC(C)(C)C ZINC001187643035 915411255 /nfs/dbraw/zinc/41/12/55/915411255.db2.gz QCYXVUIWYAOXFU-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1NC(=O)OC(C)(C)C ZINC001187643035 915411265 /nfs/dbraw/zinc/41/12/65/915411265.db2.gz QCYXVUIWYAOXFU-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1sc(NC(=O)c2[n-]nnc2C(F)(F)F)c(C(=O)c2ccccc2)c1C ZINC001187759321 915506654 /nfs/dbraw/zinc/50/66/54/915506654.db2.gz YBPUFWRSDHEPNC-UHFFFAOYSA-N -1 3 394.378 3.985 20 0 GHADHM Cc1sc(NC(=O)c2nn[n-]c2C(F)(F)F)c(C(=O)c2ccccc2)c1C ZINC001187759321 915506667 /nfs/dbraw/zinc/50/66/67/915506667.db2.gz YBPUFWRSDHEPNC-UHFFFAOYSA-N -1 3 394.378 3.985 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000292250558 915582563 /nfs/dbraw/zinc/58/25/63/915582563.db2.gz SHWNPRJVMDWLOR-BBEJJTJUSA-N -1 3 396.468 3.659 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2c(F)cccc21)c1cnc(Cl)c(Cl)c1 ZINC001188098235 915755835 /nfs/dbraw/zinc/75/58/35/915755835.db2.gz MUCISNSLJTVXIX-AWEZNQCLSA-N -1 3 375.252 3.883 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@H](c3ccccc3)C(F)F)nc(=O)c2c1C ZINC000292708184 915808450 /nfs/dbraw/zinc/80/84/50/915808450.db2.gz LHAMMCPSRZUCTF-CYBMUJFWSA-N -1 3 393.415 3.588 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Cl)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188243182 915820720 /nfs/dbraw/zinc/82/07/20/915820720.db2.gz XTQMPDCXNWXWCU-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM Cc1cc(C)n(-c2ccccc2C(=O)Nc2ncc([O-])cc2Br)n1 ZINC001188232729 915847683 /nfs/dbraw/zinc/84/76/83/915847683.db2.gz QNHKIERKCXQJAG-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC001188255030 915856818 /nfs/dbraw/zinc/85/68/18/915856818.db2.gz VMPHFVSRELCDGQ-UHFFFAOYSA-N -1 3 378.252 3.628 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001188517293 916002276 /nfs/dbraw/zinc/00/22/76/916002276.db2.gz ZFLAFKRAHOIQNB-OAHLLOKOSA-N -1 3 389.377 3.614 20 0 GHADHM CC(C)CN1CC[C@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686933 916004770 /nfs/dbraw/zinc/00/47/70/916004770.db2.gz UUNLNGULTPKYMB-HXUWFJFHSA-N -1 3 378.900 3.546 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccc2ccccc2c1 ZINC001188507514 916022540 /nfs/dbraw/zinc/02/25/40/916022540.db2.gz JQEWOLNRARSYCM-LJQANCHMSA-N -1 3 375.490 3.554 20 0 GHADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@@H]1OC ZINC001188508679 916024077 /nfs/dbraw/zinc/02/40/77/916024077.db2.gz YYLOIIRBKJZXHH-HOTGVXAUSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)[n-]1 ZINC000649227793 916073861 /nfs/dbraw/zinc/07/38/61/916073861.db2.gz NIQJHQOUMYFNMZ-AWEZNQCLSA-N -1 3 398.894 3.540 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3nsc4ccccc34)[n-]c(=O)c12 ZINC001188678597 916103423 /nfs/dbraw/zinc/10/34/23/916103423.db2.gz ZJMXZDSSQDEURJ-UHFFFAOYSA-N -1 3 398.469 3.727 20 0 GHADHM COc1ccc(C)cc1CN1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000649383566 916133395 /nfs/dbraw/zinc/13/33/95/916133395.db2.gz CSVLWYKOBYFKTQ-UHFFFAOYSA-N -1 3 391.471 3.572 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ncc([O-])cc1Br ZINC001188726475 916158392 /nfs/dbraw/zinc/15/83/92/916158392.db2.gz OGJAGXDDGIAEBU-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001188807280 916220772 /nfs/dbraw/zinc/22/07/72/916220772.db2.gz BGQJDDZJPBWVJM-UHFFFAOYSA-N -1 3 397.866 3.694 20 0 GHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189036664 916356406 /nfs/dbraw/zinc/35/64/06/916356406.db2.gz KZXSZRNZIGFEAY-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(=O)c1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cc(C(C)=O)c1 ZINC001189109955 916384211 /nfs/dbraw/zinc/38/42/11/916384211.db2.gz FIMDFRWXZHJHCK-UHFFFAOYSA-N -1 3 379.865 3.730 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1F)c1ccc(Br)c(Cl)c1 ZINC001189163927 916409751 /nfs/dbraw/zinc/40/97/51/916409751.db2.gz DGTUQXXIZPQHKS-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC(C)(C)c1ccccc1F ZINC000294146971 916612456 /nfs/dbraw/zinc/61/24/56/916612456.db2.gz PUVPJNUEPWHHGR-UHFFFAOYSA-N -1 3 394.450 3.676 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1nc(C(F)(F)F)ccc1Cl ZINC001189652358 916814257 /nfs/dbraw/zinc/81/42/57/916814257.db2.gz BAZRKPVWDAOWSL-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM Cc1ccc(O)c([N-]C(=O)c2sc(Br)nc2C(F)(F)F)n1 ZINC001189656872 916817948 /nfs/dbraw/zinc/81/79/48/916817948.db2.gz SJQOMIBYSJDMPZ-UHFFFAOYSA-N -1 3 382.161 3.586 20 0 GHADHM COC(=O)c1cccc2c([N-]S(=O)(=O)Cc3cc(F)ccc3F)cccc12 ZINC001189697399 916838380 /nfs/dbraw/zinc/83/83/80/916838380.db2.gz SIYZLOBEKLHOAJ-UHFFFAOYSA-N -1 3 391.395 3.847 20 0 GHADHM CCOC(=O)c1c(NC(=O)c2cccc(OC(F)(F)F)c2[O-])ccn1CC ZINC001189754808 916879972 /nfs/dbraw/zinc/87/99/72/916879972.db2.gz DVCSAECTIMIPAL-UHFFFAOYSA-N -1 3 386.326 3.541 20 0 GHADHM O=S(=O)([N-]c1ccc[nH]c1=S)c1cc(Br)ccc1Cl ZINC001189727502 916887454 /nfs/dbraw/zinc/88/74/54/916887454.db2.gz XAWFKZAPOKTPPN-UHFFFAOYSA-N -1 3 379.688 3.587 20 0 GHADHM O=C(Nc1cccc(Cn2cccn2)c1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766890 916903568 /nfs/dbraw/zinc/90/35/68/916903568.db2.gz WKRDPAHNNPMQGA-UHFFFAOYSA-N -1 3 377.322 3.788 20 0 GHADHM O=S(=O)([N-]CCCCCCCCO)c1cc(Br)ccc1Cl ZINC001189772714 916908350 /nfs/dbraw/zinc/90/83/50/916908350.db2.gz YXZSWPGZTXZWEX-UHFFFAOYSA-N -1 3 398.750 3.714 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nc(C(F)(F)F)ccc1Cl ZINC001189790217 916924913 /nfs/dbraw/zinc/92/49/13/916924913.db2.gz ITZPBBSGOQCKNU-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CCc1cccc(C)c1NC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001189972745 917002538 /nfs/dbraw/zinc/00/25/38/917002538.db2.gz UURHPHDZBMNQIP-HNNXBMFYSA-N -1 3 375.469 3.605 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000650505238 917040943 /nfs/dbraw/zinc/04/09/43/917040943.db2.gz XITJFMAUWPVFOV-VGSWGCGISA-N -1 3 398.528 3.551 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F ZINC001190340546 917272168 /nfs/dbraw/zinc/27/21/68/917272168.db2.gz WQGPLXUXXNAFAG-OCCSQVGLSA-N -1 3 377.334 3.818 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)c1 ZINC001190816675 917578663 /nfs/dbraw/zinc/57/86/63/917578663.db2.gz BDEMIWCFPPPNRQ-UHFFFAOYSA-N -1 3 399.921 3.632 20 0 GHADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001190958992 917665125 /nfs/dbraw/zinc/66/51/25/917665125.db2.gz QTMQZHCBSIYYSP-PSLIRLAXSA-N -1 3 375.343 3.645 20 0 GHADHM CCc1cc(=O)[n-]c(CN(C)CCOc2ccc(OCc3ccccc3)cc2)n1 ZINC001190955047 917695263 /nfs/dbraw/zinc/69/52/63/917695263.db2.gz WFOVMSBWNCAMMI-UHFFFAOYSA-N -1 3 393.487 3.834 20 0 GHADHM Cc1cccc(CNC(=O)Nc2cc(I)ccc2[O-])c1 ZINC001191001376 917698325 /nfs/dbraw/zinc/69/83/25/917698325.db2.gz LECJWYBNWLSJGX-UHFFFAOYSA-N -1 3 382.201 3.627 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C1CCC1)c1cccc(Cl)c1Br ZINC001191037400 917720922 /nfs/dbraw/zinc/72/09/22/917720922.db2.gz YWUURCCTNBOGSL-CQSZACIVSA-N -1 3 378.719 3.960 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc(Oc2ccccc2)n1 ZINC001191142874 917810524 /nfs/dbraw/zinc/81/05/24/917810524.db2.gz QSECEPBMARAFJJ-UHFFFAOYSA-N -1 3 382.347 3.758 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3COc4ccccc4C3)c2)n1 ZINC000363195692 917897148 /nfs/dbraw/zinc/89/71/48/917897148.db2.gz HSVBLWKOAGWWOB-INIZCTEOSA-N -1 3 375.428 3.601 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1cc(Br)no1 ZINC001191328997 917937302 /nfs/dbraw/zinc/93/73/02/917937302.db2.gz NOFWDBJDIDNRPH-UHFFFAOYSA-N -1 3 392.234 3.517 20 0 GHADHM COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000652850284 918031381 /nfs/dbraw/zinc/03/13/81/918031381.db2.gz AEHPZFCHDFJHIT-SFHVURJKSA-N -1 3 382.460 3.597 20 0 GHADHM O=C(Nc1cc(F)cc(C(F)(F)F)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001191586993 918063210 /nfs/dbraw/zinc/06/32/10/918063210.db2.gz XEGFRNFRNWTLGJ-UHFFFAOYSA-N -1 3 382.273 3.843 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC3CCC2CC3)cc1Cl ZINC001191691679 918157692 /nfs/dbraw/zinc/15/76/92/918157692.db2.gz FQFOERBJKGUNJQ-WXRRBKDZSA-N -1 3 388.892 3.542 20 0 GHADHM COc1ccc(CC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000363375672 918172983 /nfs/dbraw/zinc/17/29/83/918172983.db2.gz AUWAMFPWMVKNCD-UHFFFAOYSA-N -1 3 376.456 3.632 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1Cl ZINC001191828151 918251144 /nfs/dbraw/zinc/25/11/44/918251144.db2.gz CZIVOMDOJCBYAY-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000654577304 919214153 /nfs/dbraw/zinc/21/41/53/919214153.db2.gz OYYGMJVYERZKBL-UHFFFAOYSA-N -1 3 391.353 3.849 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC000380475668 919303278 /nfs/dbraw/zinc/30/32/78/919303278.db2.gz JVJXVTDEAIGOCI-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1sc(CCNCc2ccc(Br)c(F)c2F)nc1C(=O)[O-] ZINC000900059991 919784990 /nfs/dbraw/zinc/78/49/90/919784990.db2.gz VVXRKAZFNPPDED-UHFFFAOYSA-N -1 3 391.237 3.523 20 0 GHADHM CNc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000298012326 920077461 /nfs/dbraw/zinc/07/74/61/920077461.db2.gz BGVHZMRFJRGWCR-UHFFFAOYSA-N -1 3 387.867 3.578 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(Br)c1 ZINC000800835154 920508603 /nfs/dbraw/zinc/50/86/03/920508603.db2.gz QJBYRZZAUSYJCG-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nc(C)cs1 ZINC000800910016 920590494 /nfs/dbraw/zinc/59/04/94/920590494.db2.gz HAEZSUZCVWFEAN-ZDUSSCGKSA-N -1 3 384.910 3.663 20 0 GHADHM C[C@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000902011578 921813503 /nfs/dbraw/zinc/81/35/03/921813503.db2.gz KYXLQHFOZRCHOX-JOYOIKCWSA-N -1 3 378.213 3.736 20 0 GHADHM CCOc1c(Cl)cc(CNCc2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000902138664 921906924 /nfs/dbraw/zinc/90/69/24/921906924.db2.gz JUUHJGWKPMSFQA-UHFFFAOYSA-N -1 3 379.840 3.501 20 0 GHADHM C[C@H](Oc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1)C(=O)[O-] ZINC000902154377 921933334 /nfs/dbraw/zinc/93/33/34/921933334.db2.gz OWTJSPROKYERIB-INIZCTEOSA-N -1 3 396.487 3.957 20 0 GHADHM C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902293255 922067300 /nfs/dbraw/zinc/06/73/00/922067300.db2.gz VMCSKEVVXBGWHS-UXFYUNLUSA-N -1 3 387.863 3.899 20 0 GHADHM Cc1cc(Br)c(OCC(=O)[O-])c(CN(C)CCc2cccs2)c1 ZINC000902323288 922088681 /nfs/dbraw/zinc/08/86/81/922088681.db2.gz BWXKEFUJTZUMBC-UHFFFAOYSA-N -1 3 398.322 3.957 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000902355587 922116418 /nfs/dbraw/zinc/11/64/18/922116418.db2.gz NEXRHCMVFWMXFZ-UHFFFAOYSA-N -1 3 377.435 3.632 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(Cc4ccccc4)nc3-c3ccccc3)C[C@@H]21 ZINC000902554917 922279354 /nfs/dbraw/zinc/27/93/54/922279354.db2.gz WJIXOSSUHCLIOB-BHIFYINESA-N -1 3 387.483 3.751 20 0 GHADHM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000902819319 922525121 /nfs/dbraw/zinc/52/51/21/922525121.db2.gz GKZKYLGGQUIQEF-BMFZPTHFSA-N -1 3 399.409 3.804 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000368201857 922530302 /nfs/dbraw/zinc/53/03/02/922530302.db2.gz OWZUNSSIDGOPBQ-LRTDBIEQSA-N -1 3 383.448 3.593 20 0 GHADHM C[C@@]1(CS(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)CC1(Cl)Cl ZINC000903086446 922760936 /nfs/dbraw/zinc/76/09/36/922760936.db2.gz GRGHASDNRSHNMU-AWEZNQCLSA-N -1 3 381.300 3.752 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCC[C@@H](Cc2nccs2)C1 ZINC000903631589 923139770 /nfs/dbraw/zinc/13/97/70/923139770.db2.gz OXPFBOKLPDATML-BLLLJJGKSA-N -1 3 395.322 3.986 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H]([C@H]2CCCO2)C1 ZINC000903944845 923424715 /nfs/dbraw/zinc/42/47/15/923424715.db2.gz SVBPTJQYYSEMJF-NIKGAXFTSA-N -1 3 390.867 3.839 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)c(Cl)c1)c1cccc2c1CCCC2 ZINC000748642003 923769570 /nfs/dbraw/zinc/76/95/70/923769570.db2.gz ZHOZRVOXZGEDHZ-UHFFFAOYSA-N -1 3 388.880 3.600 20 0 GHADHM Cc1cnccc1OC1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000370082330 923854981 /nfs/dbraw/zinc/85/49/81/923854981.db2.gz OBVPKGLHCJMKJJ-UHFFFAOYSA-N -1 3 391.475 3.612 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)s1 ZINC000409906071 925112290 /nfs/dbraw/zinc/11/22/90/925112290.db2.gz IXSAVBJRDOYNBZ-UHFFFAOYSA-N -1 3 388.299 3.923 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)[C@H](O)c1ccc(F)cc1 ZINC001137387171 925255889 /nfs/dbraw/zinc/25/58/89/925255889.db2.gz YLUFLPBSBNBZEA-HWPZZCPQSA-N -1 3 387.785 3.818 20 0 GHADHM O=c1[n-]c(CN2CC[C@H](Oc3cccc(F)c3)C2)nc2c3ccccc3oc21 ZINC000680113219 925369185 /nfs/dbraw/zinc/36/91/85/925369185.db2.gz PUEXPJWJGFFGLC-HNNXBMFYSA-N -1 3 379.391 3.874 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001137425918 925636203 /nfs/dbraw/zinc/63/62/03/925636203.db2.gz RVMQQAZZJQJNPH-CYBMUJFWSA-N -1 3 399.434 3.714 20 0 GHADHM O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681037784 925703438 /nfs/dbraw/zinc/70/34/38/925703438.db2.gz MCPVGYQCQGVJAX-UHFFFAOYSA-N -1 3 385.439 3.598 20 0 GHADHM COC(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC001137446044 925824562 /nfs/dbraw/zinc/82/45/62/925824562.db2.gz DIYBCPMJUPTSLA-UHFFFAOYSA-N -1 3 393.237 3.571 20 0 GHADHM O=c1[n-]c(SCC[C@@H]2CCCO2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000682447192 926118711 /nfs/dbraw/zinc/11/87/11/926118711.db2.gz VDVWWUVFHHNBMV-ZDUSSCGKSA-N -1 3 376.869 3.836 20 0 GHADHM COCC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000411206966 926197229 /nfs/dbraw/zinc/19/72/29/926197229.db2.gz FYAZGPGFHVCRMP-UHFFFAOYSA-N -1 3 390.505 3.797 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccccc1Br ZINC000682726193 926221177 /nfs/dbraw/zinc/22/11/77/926221177.db2.gz QITVGACYYHEXDZ-UHFFFAOYSA-N -1 3 376.222 3.519 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2nccn2C)c2ccccc2)sc1Cl ZINC000682730363 926222083 /nfs/dbraw/zinc/22/20/83/926222083.db2.gz ZDDJHQQLOLXBLL-AWEZNQCLSA-N -1 3 395.937 3.706 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000411288739 926284817 /nfs/dbraw/zinc/28/48/17/926284817.db2.gz DYVPRGDFQZFNGL-ZETCQYMHSA-N -1 3 382.264 3.539 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000411288739 926284826 /nfs/dbraw/zinc/28/48/26/926284826.db2.gz DYVPRGDFQZFNGL-ZETCQYMHSA-N -1 3 382.264 3.539 20 0 GHADHM COc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)cc1OC(F)F ZINC000147854639 926366777 /nfs/dbraw/zinc/36/67/77/926366777.db2.gz LBVBZQLTUHIYDC-UHFFFAOYSA-N -1 3 375.293 3.844 20 0 GHADHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c(Cl)cc([O-])cc2Cl)N1CC(F)(F)F ZINC001276164896 926402360 /nfs/dbraw/zinc/40/23/60/926402360.db2.gz KUETXNBJEDVANZ-ZIAGYGMSSA-N -1 3 397.224 3.827 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000726520705 926724104 /nfs/dbraw/zinc/72/41/04/926724104.db2.gz MCFUEBFYXXFQTA-UHFFFAOYSA-N -1 3 399.541 3.897 20 0 GHADHM COc1ccc(N[C@H]2CCC[C@H](c3cccnc3)C2)cc1[N-]S(C)(=O)=O ZINC000374316737 927014503 /nfs/dbraw/zinc/01/45/03/927014503.db2.gz PNLKNUZHCSUJTG-HOCLYGCPSA-N -1 3 375.494 3.600 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1[O-] ZINC000412197083 927197144 /nfs/dbraw/zinc/19/71/44/927197144.db2.gz DWNSGDFKFIRZCG-OAHLLOKOSA-N -1 3 384.501 3.950 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1[O-] ZINC000412214232 927216532 /nfs/dbraw/zinc/21/65/32/927216532.db2.gz LYNSUOQGIGLJSE-QGZVFWFLSA-N -1 3 377.444 3.558 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000412227363 927229099 /nfs/dbraw/zinc/22/90/99/927229099.db2.gz DKCZKSRMRYVIOF-FUHWJXTLSA-N -1 3 377.799 3.647 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000749792376 927272033 /nfs/dbraw/zinc/27/20/33/927272033.db2.gz NPNRKAMFJQFRLU-CYBMUJFWSA-N -1 3 380.366 3.631 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000750905423 927929797 /nfs/dbraw/zinc/92/97/97/927929797.db2.gz PMLFFBXLJKXVRN-UHFFFAOYSA-N -1 3 387.823 3.611 20 0 GHADHM O=C([N-]OCc1ccccc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000751303799 928118943 /nfs/dbraw/zinc/11/89/43/928118943.db2.gz WWYJXUITIZAVLT-LJQANCHMSA-N -1 3 378.394 3.689 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)c(C)o1 ZINC000751348885 928147359 /nfs/dbraw/zinc/14/73/59/928147359.db2.gz KBFXYMWVFMOXCH-UHFFFAOYSA-N -1 3 388.420 3.555 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccc(F)cc2)c1Cl ZINC000751394962 928170065 /nfs/dbraw/zinc/17/00/65/928170065.db2.gz ZTDKHDTWPLQHNV-BONVTDFDSA-N -1 3 392.279 3.841 20 0 GHADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000751403437 928174001 /nfs/dbraw/zinc/17/40/01/928174001.db2.gz DEEWTYWZWUJLIF-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM O=C(NCc1csc(CCc2ccccc2)n1)c1nnc2ccccc2c1[O-] ZINC000751429277 928188476 /nfs/dbraw/zinc/18/84/76/928188476.db2.gz DLCLNMYVTZGKBQ-UHFFFAOYSA-N -1 3 390.468 3.507 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1c(Cl)cccc1Cl)c1ccc(Cl)s1 ZINC000751434900 928190428 /nfs/dbraw/zinc/19/04/28/928190428.db2.gz AAJFYPSZRXJGFH-VIFPVBQESA-N -1 3 386.709 3.720 20 0 GHADHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)nc2c1 ZINC000466913199 928499701 /nfs/dbraw/zinc/49/97/01/928499701.db2.gz GSGWSNNWCLBEEY-UHFFFAOYSA-N -1 3 376.290 3.718 20 0 GHADHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)[nH]c2c1 ZINC000466913199 928499708 /nfs/dbraw/zinc/49/97/08/928499708.db2.gz GSGWSNNWCLBEEY-UHFFFAOYSA-N -1 3 376.290 3.718 20 0 GHADHM CCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H](CC)c1ccccc1 ZINC000752409708 928815238 /nfs/dbraw/zinc/81/52/38/928815238.db2.gz YTBMMPLYEAFKTL-GOSISDBHSA-N -1 3 392.496 3.737 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000752509436 928857170 /nfs/dbraw/zinc/85/71/70/928857170.db2.gz POOKEYUCAKYVJD-JTQLQIEISA-N -1 3 395.806 3.530 20 0 GHADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cc(Cl)ccc1Cl ZINC000752526506 928866791 /nfs/dbraw/zinc/86/67/91/928866791.db2.gz RQMODRCMFZCIIB-TVQRCGJNSA-N -1 3 382.309 3.562 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752996268 929144920 /nfs/dbraw/zinc/14/49/20/929144920.db2.gz HHVLFCOBOFILDS-JDNHERCYSA-N -1 3 387.238 3.759 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[O-] ZINC000753213759 929255114 /nfs/dbraw/zinc/25/51/14/929255114.db2.gz HQEGOPWBJINGSF-RYQLBKOJSA-N -1 3 388.508 3.720 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467714710 929329845 /nfs/dbraw/zinc/32/98/45/929329845.db2.gz JEAHYOAWEIVLBT-LLVKDONJSA-N -1 3 387.361 3.764 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)c12 ZINC000467716102 929330638 /nfs/dbraw/zinc/33/06/38/929330638.db2.gz PKMZGGXNFFFOFS-UHFFFAOYSA-N -1 3 395.369 3.751 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000467793923 929427537 /nfs/dbraw/zinc/42/75/37/929427537.db2.gz YMXSFBQOEHILLU-FUHWJXTLSA-N -1 3 383.872 3.986 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000467794068 929428727 /nfs/dbraw/zinc/42/87/27/929428727.db2.gz YMXSFBQOEHILLU-SJLPKXTDSA-N -1 3 383.872 3.986 20 0 GHADHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469400922 929850432 /nfs/dbraw/zinc/85/04/32/929850432.db2.gz AJLYYBXQWGWVGY-HKUYNNGSSA-N -1 3 391.483 3.824 20 0 GHADHM COC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000469405416 929853775 /nfs/dbraw/zinc/85/37/75/929853775.db2.gz HCPQUOCODQJSPO-KRWDZBQOSA-N -1 3 393.842 3.928 20 0 GHADHM CN1Cc2ccccc2[C@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000757925164 929857540 /nfs/dbraw/zinc/85/75/40/929857540.db2.gz MHDQRMFSUTUILO-GOSISDBHSA-N -1 3 397.475 3.656 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c(=O)[n-]1 ZINC000470151348 930410648 /nfs/dbraw/zinc/41/06/48/930410648.db2.gz HQCPFOHOUYIWAX-UHFFFAOYSA-N -1 3 399.491 3.645 20 0 GHADHM CCc1cc2c(CN3CCO[C@@](C)(c4ccccc4)C3)cc(=O)oc2cc1[O-] ZINC000759756842 930479380 /nfs/dbraw/zinc/47/93/80/930479380.db2.gz XBUTZIJUNWIJIA-HSZRJFAPSA-N -1 3 379.456 3.809 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000470266145 930498295 /nfs/dbraw/zinc/49/82/95/930498295.db2.gz YDXRUFPIVYZOBM-AWEZNQCLSA-N -1 3 391.855 3.710 20 0 GHADHM CCc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)n1 ZINC000546934291 930541489 /nfs/dbraw/zinc/54/14/89/930541489.db2.gz FNBDBHZSBBCECK-MLPAPPSSSA-N -1 3 385.445 3.612 20 0 GHADHM O=C([N-]N1CCc2ccccc2C1=O)c1cc(-c2ccccn2)ccc1Cl ZINC000780721889 930585188 /nfs/dbraw/zinc/58/51/88/930585188.db2.gz YXNRBTRWTYENRI-UHFFFAOYSA-N -1 3 377.831 3.745 20 0 GHADHM Cc1cc(C)cc(-n2ncc(C[N-]c3nnc([C@@H]4Cc5ccccc5O4)o3)n2)c1 ZINC000781103971 930700613 /nfs/dbraw/zinc/70/06/13/930700613.db2.gz HJYABZAODACQRP-IBGZPJMESA-N -1 3 388.431 3.555 20 0 GHADHM O=S(=O)([N-]CCCc1cccs1)c1ccc(Br)cc1F ZINC000547473960 931053155 /nfs/dbraw/zinc/05/31/55/931053155.db2.gz OIWVCFNEUFWNOA-UHFFFAOYSA-N -1 3 378.288 3.561 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000547504291 931077348 /nfs/dbraw/zinc/07/73/48/931077348.db2.gz JFNYJBVXFMOLCF-QAPCUYQASA-N -1 3 393.516 3.584 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cc3ccccc3c(Cl)n2)cc1 ZINC000782271918 931149477 /nfs/dbraw/zinc/14/94/77/931149477.db2.gz MLNNJKUCXGFTLW-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1N1CCNC1=O ZINC000782506913 931246639 /nfs/dbraw/zinc/24/66/39/931246639.db2.gz GIYKKPFJCNLEAD-UHFFFAOYSA-N -1 3 387.505 3.559 20 0 GHADHM Cn1c(CSCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccc(Cl)cc1 ZINC000557268148 931311368 /nfs/dbraw/zinc/31/13/68/931311368.db2.gz GQFUJLCWHIVXGV-UHFFFAOYSA-N -1 3 387.896 3.942 20 0 GHADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000557513155 931481340 /nfs/dbraw/zinc/48/13/40/931481340.db2.gz ZZNXBVYJEODYQG-UHFFFAOYSA-N -1 3 377.444 3.511 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000783394671 931535632 /nfs/dbraw/zinc/53/56/32/931535632.db2.gz UFVJSMCCSMIBSI-UHFFFAOYSA-N -1 3 392.411 3.735 20 0 GHADHM O=C(c1ccco1)c1oc2ccccc2c1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000783681807 931617085 /nfs/dbraw/zinc/61/70/85/931617085.db2.gz IQWGORKNDWRIDI-VBKFSLOCSA-N -1 3 398.374 3.980 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)cc2C1 ZINC000783859230 931695108 /nfs/dbraw/zinc/69/51/08/931695108.db2.gz KPCTVKDUPNHZGW-BZNIZROVSA-N -1 3 393.892 3.578 20 0 GHADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783888801 931705274 /nfs/dbraw/zinc/70/52/74/931705274.db2.gz VGWMSEDBCVXVSC-LBPRGKRZSA-N -1 3 384.363 3.534 20 0 GHADHM CC(C)Cn1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1C1CC1 ZINC000784482923 931910202 /nfs/dbraw/zinc/91/02/02/931910202.db2.gz TXPZTESJGQTCRB-UHFFFAOYSA-N -1 3 382.420 3.529 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1(CCOCc2ccccc2)CC1 ZINC000784784143 932002785 /nfs/dbraw/zinc/00/27/85/932002785.db2.gz REDKLNSGEIISJP-UHFFFAOYSA-N -1 3 394.427 3.873 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000784893631 932019760 /nfs/dbraw/zinc/01/97/60/932019760.db2.gz NWSRMKDVBBXZTI-ZDUSSCGKSA-N -1 3 380.437 3.562 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000777600310 932190634 /nfs/dbraw/zinc/19/06/34/932190634.db2.gz NLDPONPYHRTFQF-UHFFFAOYSA-N -1 3 390.248 3.555 20 0 GHADHM Cc1cn2ccnc(C(=O)[N-]c3nnc([C@H]4CCCc5ccccc54)s3)c2n1 ZINC000559425124 932665799 /nfs/dbraw/zinc/66/57/99/932665799.db2.gz PIXUXBBYASYWAA-HNNXBMFYSA-N -1 3 390.472 3.610 20 0 GHADHM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799024548 932854224 /nfs/dbraw/zinc/85/42/24/932854224.db2.gz UTNXGBGAFNWZNH-XFXZXTDPSA-N -1 3 388.817 3.660 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799175235 932898249 /nfs/dbraw/zinc/89/82/49/932898249.db2.gz ZUOTXTLNKAOBOD-AWEZNQCLSA-N -1 3 399.457 3.529 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000799212046 932919201 /nfs/dbraw/zinc/91/92/01/932919201.db2.gz FEUJZZDYXRNPEA-UHFFFAOYSA-N -1 3 388.424 3.530 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C)c([O-])c1 ZINC000559935484 932970352 /nfs/dbraw/zinc/97/03/52/932970352.db2.gz FNTKIFPTPIQJHH-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM COc1cc([N-]S(=O)(=O)/C=C/c2ccccc2F)c(OC)c(C)c1OC ZINC000799925832 933172606 /nfs/dbraw/zinc/17/26/06/933172606.db2.gz UBOHUJKSKQNBHM-MDZDMXLPSA-N -1 3 381.425 3.573 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001115888463 933232267 /nfs/dbraw/zinc/23/22/67/933232267.db2.gz SQEOKJMVINFJAK-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001116034100 933296199 /nfs/dbraw/zinc/29/61/99/933296199.db2.gz GXZJMMNXHXIYHI-UHFFFAOYSA-N -1 3 390.274 3.768 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001116034100 933296208 /nfs/dbraw/zinc/29/62/08/933296208.db2.gz GXZJMMNXHXIYHI-UHFFFAOYSA-N -1 3 390.274 3.768 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000560510351 933299986 /nfs/dbraw/zinc/29/99/86/933299986.db2.gz JZGHYKVEMDQUMD-IPURGOFSSA-N -1 3 395.684 3.862 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cc(C)c3ncccc23)cs1 ZINC001116147612 933362375 /nfs/dbraw/zinc/36/23/75/933362375.db2.gz LJYYYFUZSJAFGR-UHFFFAOYSA-N -1 3 396.877 3.846 20 0 GHADHM Cc1ccc(N2C(C)=C(C(=O)N(C)C)[C@@H](c3ccc([O-])c(F)c3)NC2=S)cc1 ZINC001116378897 933520160 /nfs/dbraw/zinc/52/01/60/933520160.db2.gz GKAAEINSDKGROJ-LJQANCHMSA-N -1 3 399.491 3.638 20 0 GHADHM COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2cccc([O-])c2F)cc1OC ZINC001116404115 933538155 /nfs/dbraw/zinc/53/81/55/933538155.db2.gz AJXZNXPMMXGBMI-UHFFFAOYSA-N -1 3 390.411 3.785 20 0 GHADHM COc1ccccc1C1(C(=O)OCc2noc(-c3ccccc3[O-])n2)CCC1 ZINC001116830807 933782309 /nfs/dbraw/zinc/78/23/09/933782309.db2.gz WIUMUWMZYGHKQJ-UHFFFAOYSA-N -1 3 380.400 3.616 20 0 GHADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001117489235 933944399 /nfs/dbraw/zinc/94/43/99/933944399.db2.gz MHNLOEDJMCHOFH-ZIAGYGMSSA-N -1 3 399.532 3.553 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](F)C2)cc1 ZINC000931621209 934647524 /nfs/dbraw/zinc/64/75/24/934647524.db2.gz SXHJJPNVEGPTGJ-OAHLLOKOSA-N -1 3 391.468 3.680 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC001121763805 934758579 /nfs/dbraw/zinc/75/85/79/934758579.db2.gz WTFBXMGJSMPSQK-UHFFFAOYSA-N -1 3 390.491 3.680 20 0 GHADHM Cc1ccc(-c2ccccc2NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC000932099008 934822600 /nfs/dbraw/zinc/82/26/00/934822600.db2.gz PRDATTXCTSMKMH-CQSZACIVSA-N -1 3 395.488 3.620 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1cccs1 ZINC001123025162 935058657 /nfs/dbraw/zinc/05/86/57/935058657.db2.gz CFRLVWDQUSUGOF-SNVBAGLBSA-N -1 3 399.398 3.527 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1ccc(OC2CC2)cc1 ZINC000829859628 935873462 /nfs/dbraw/zinc/87/34/62/935873462.db2.gz XAIKIOMONOZMFE-UHFFFAOYSA-N -1 3 394.443 3.609 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)c([O-])c1 ZINC001137939767 935881802 /nfs/dbraw/zinc/88/18/02/935881802.db2.gz QOKLLCUEYLCKFF-UHFFFAOYSA-N -1 3 378.384 3.575 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001138017853 935930195 /nfs/dbraw/zinc/93/01/95/935930195.db2.gz YPFUUTTYFITGKD-PBHICJAKSA-N -1 3 376.250 3.884 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])cc1C ZINC000908884808 939344990 /nfs/dbraw/zinc/34/49/90/939344990.db2.gz PSCGVAHVNYKTHF-UIFIKXQLSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(Oc2cccnc2Br)c1 ZINC001573280222 946657404 /nfs/dbraw/zinc/65/74/04/946657404.db2.gz QYVVCAKLTZCRBH-UHFFFAOYSA-N -1 3 397.030 3.579 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(Oc2cccnc2Br)c1 ZINC001573280222 946657410 /nfs/dbraw/zinc/65/74/10/946657410.db2.gz QYVVCAKLTZCRBH-UHFFFAOYSA-N -1 3 397.030 3.579 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC001573550966 946866853 /nfs/dbraw/zinc/86/68/53/946866853.db2.gz FRNXXUMVWIRPKJ-UHFFFAOYSA-N -1 3 398.426 3.747 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC001573550966 946866866 /nfs/dbraw/zinc/86/68/66/946866866.db2.gz FRNXXUMVWIRPKJ-UHFFFAOYSA-N -1 3 398.426 3.747 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)c2ccccn21 ZINC001573363500 947713674 /nfs/dbraw/zinc/71/36/74/947713674.db2.gz CYBISTAGBBDTEK-QXMHVHEDSA-N -1 3 376.395 3.609 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)c2ccccn21 ZINC001573363500 947713677 /nfs/dbraw/zinc/71/36/77/947713677.db2.gz CYBISTAGBBDTEK-QXMHVHEDSA-N -1 3 376.395 3.609 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573366452 947743553 /nfs/dbraw/zinc/74/35/53/947743553.db2.gz QOEXLBLPBAMLQE-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573366452 947743563 /nfs/dbraw/zinc/74/35/63/947743563.db2.gz QOEXLBLPBAMLQE-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C(F)(F)F)cc1Cl ZINC001535493319 948546860 /nfs/dbraw/zinc/54/68/60/948546860.db2.gz TVWCQTAOIVPGBA-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(F)(F)F)cc1Cl ZINC001535493319 948546868 /nfs/dbraw/zinc/54/68/68/948546868.db2.gz TVWCQTAOIVPGBA-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001574082234 948851572 /nfs/dbraw/zinc/85/15/72/948851572.db2.gz CLAXERDWFYLIQA-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001574082234 948851589 /nfs/dbraw/zinc/85/15/89/948851589.db2.gz CLAXERDWFYLIQA-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C1CCC1)C1CCC1 ZINC001574082469 948853808 /nfs/dbraw/zinc/85/38/08/948853808.db2.gz DQWZUPAZFOQQCP-FQEVSTJZSA-N -1 3 397.523 3.603 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C1CCC1)C1CCC1 ZINC001574082469 948853817 /nfs/dbraw/zinc/85/38/17/948853817.db2.gz DQWZUPAZFOQQCP-FQEVSTJZSA-N -1 3 397.523 3.603 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1CCCCCCC1 ZINC001574082796 948866836 /nfs/dbraw/zinc/86/68/36/948866836.db2.gz KENDTTIDANDDLO-LJQANCHMSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1CCCCCCC1 ZINC001574082796 948866853 /nfs/dbraw/zinc/86/68/53/948866853.db2.gz KENDTTIDANDDLO-LJQANCHMSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)CC1 ZINC001574091847 949032961 /nfs/dbraw/zinc/03/29/61/949032961.db2.gz PGWFKZKINJEEMJ-GFCCVEGCSA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)CC1 ZINC001574091847 949032975 /nfs/dbraw/zinc/03/29/75/949032975.db2.gz PGWFKZKINJEEMJ-GFCCVEGCSA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)C1CCC(CNc2cc(-c3nnn[n-]3)c(Br)cn2)CC1 ZINC001574092196 949050330 /nfs/dbraw/zinc/05/03/30/949050330.db2.gz QRYAEXDBVKZAIE-UHFFFAOYSA-N -1 3 379.306 3.899 20 0 GHADHM CC(C)C1CCC(CNc2cc(-c3nn[n-]n3)c(Br)cn2)CC1 ZINC001574092196 949050350 /nfs/dbraw/zinc/05/03/50/949050350.db2.gz QRYAEXDBVKZAIE-UHFFFAOYSA-N -1 3 379.306 3.899 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001574092582 949070664 /nfs/dbraw/zinc/07/06/64/949070664.db2.gz SABADQUZGRFTGG-KBXCAEBGSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001574092582 949070695 /nfs/dbraw/zinc/07/06/95/949070695.db2.gz SABADQUZGRFTGG-KBXCAEBGSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nnn[n-]2)C1 ZINC001574100697 949200202 /nfs/dbraw/zinc/20/02/02/949200202.db2.gz XMBJZDGIAJPVEV-CYBMUJFWSA-N -1 3 385.493 3.853 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nn[n-]n2)C1 ZINC001574100697 949200221 /nfs/dbraw/zinc/20/02/21/949200221.db2.gz XMBJZDGIAJPVEV-CYBMUJFWSA-N -1 3 385.493 3.853 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(Br)c2)CC1 ZINC001575860454 949304250 /nfs/dbraw/zinc/30/42/50/949304250.db2.gz IQEUXFPCVNJODU-NSHDSACASA-N -1 3 376.258 3.704 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(Br)c2)CC1 ZINC001575860454 949304272 /nfs/dbraw/zinc/30/42/72/949304272.db2.gz IQEUXFPCVNJODU-NSHDSACASA-N -1 3 376.258 3.704 20 0 GHADHM C[C@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001575264813 949437135 /nfs/dbraw/zinc/43/71/35/949437135.db2.gz QTRAMLFKTXLWRG-PORFMDCZSA-N -1 3 393.394 3.838 20 0 GHADHM C[C@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001575264813 949437147 /nfs/dbraw/zinc/43/71/47/949437147.db2.gz QTRAMLFKTXLWRG-PORFMDCZSA-N -1 3 393.394 3.838 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573826711 949909553 /nfs/dbraw/zinc/90/95/53/949909553.db2.gz IQUIMVPSJPWRGU-KBXCAEBGSA-N -1 3 398.511 3.707 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573826711 949909566 /nfs/dbraw/zinc/90/95/66/949909566.db2.gz IQUIMVPSJPWRGU-KBXCAEBGSA-N -1 3 398.511 3.707 20 0 GHADHM C[C@@H]1CCN(C(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)CC12CCCCC2 ZINC001576183577 950093469 /nfs/dbraw/zinc/09/34/69/950093469.db2.gz QFEDNLKLMQPFNW-MRXNPFEDSA-N -1 3 379.508 3.717 20 0 GHADHM C[C@@H]1CCN(C(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)CC12CCCCC2 ZINC001576183577 950093492 /nfs/dbraw/zinc/09/34/92/950093492.db2.gz QFEDNLKLMQPFNW-MRXNPFEDSA-N -1 3 379.508 3.717 20 0 GHADHM CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001573843238 950168649 /nfs/dbraw/zinc/16/86/49/950168649.db2.gz SQTSHMLMJZHVEF-LLVKDONJSA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001573843238 950168662 /nfs/dbraw/zinc/16/86/62/950168662.db2.gz SQTSHMLMJZHVEF-LLVKDONJSA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(C)CC1 ZINC001576214549 950674759 /nfs/dbraw/zinc/67/47/59/950674759.db2.gz PTVOSNWNZBUXKG-ZWKOTPCHSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(C)CC1 ZINC001576214549 950674768 /nfs/dbraw/zinc/67/47/68/950674768.db2.gz PTVOSNWNZBUXKG-ZWKOTPCHSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)cc(Cl)n1 ZINC001573879609 950727871 /nfs/dbraw/zinc/72/78/71/950727871.db2.gz HMMQKFLNUMXCHQ-UHFFFAOYSA-N -1 3 392.797 3.743 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)cc(Cl)n1 ZINC001573879609 950727888 /nfs/dbraw/zinc/72/78/88/950727888.db2.gz HMMQKFLNUMXCHQ-UHFFFAOYSA-N -1 3 392.797 3.743 20 0 GHADHM C[C@H]1CCc2c(C(=O)N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)csc2C1 ZINC001576217296 950753787 /nfs/dbraw/zinc/75/37/87/950753787.db2.gz LWLMWBVMRNKATH-SGTLLEGYSA-N -1 3 393.516 3.860 20 0 GHADHM C[C@H]1CCc2c(C(=O)N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)csc2C1 ZINC001576217296 950753803 /nfs/dbraw/zinc/75/38/03/950753803.db2.gz LWLMWBVMRNKATH-SGTLLEGYSA-N -1 3 393.516 3.860 20 0 GHADHM CC(C)(C)c1csc(NC(=O)Cc2c(F)cccc2F)c1-c1nnn[n-]1 ZINC001573884036 950783226 /nfs/dbraw/zinc/78/32/26/950783226.db2.gz DLXHQYVRIBFVAA-UHFFFAOYSA-N -1 3 377.420 3.685 20 0 GHADHM CC(C)(C)c1csc(NC(=O)Cc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC001573884036 950783243 /nfs/dbraw/zinc/78/32/43/950783243.db2.gz DLXHQYVRIBFVAA-UHFFFAOYSA-N -1 3 377.420 3.685 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001576220988 950840717 /nfs/dbraw/zinc/84/07/17/950840717.db2.gz YORPTRCSYZTAOH-DYZYQPBXSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001576220988 950840734 /nfs/dbraw/zinc/84/07/34/950840734.db2.gz YORPTRCSYZTAOH-DYZYQPBXSA-N -1 3 384.390 3.590 20 0 GHADHM CC1(C)C[C@H](CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638972 950852402 /nfs/dbraw/zinc/85/24/02/950852402.db2.gz KXJNKIOGESXPMF-KGLIPLIRSA-N -1 3 383.418 3.653 20 0 GHADHM CC1(C)C[C@H](CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638972 950852422 /nfs/dbraw/zinc/85/24/22/950852422.db2.gz KXJNKIOGESXPMF-KGLIPLIRSA-N -1 3 383.418 3.653 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001575188517 952448846 /nfs/dbraw/zinc/44/88/46/952448846.db2.gz IORJWEDBJFJXGK-LBPRGKRZSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001575188517 952448848 /nfs/dbraw/zinc/44/88/48/952448848.db2.gz IORJWEDBJFJXGK-LBPRGKRZSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001575190429 952461940 /nfs/dbraw/zinc/46/19/40/952461940.db2.gz SDBOGSVQDDFGJR-MRXNPFEDSA-N -1 3 391.519 3.702 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001575190429 952461945 /nfs/dbraw/zinc/46/19/45/952461945.db2.gz SDBOGSVQDDFGJR-MRXNPFEDSA-N -1 3 391.519 3.702 20 0 GHADHM O=C([O-])c1ccc2c(c1)OCCN(CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001352779750 962635172 /nfs/dbraw/zinc/63/51/72/962635172.db2.gz XJCKOADWSRVRFK-UHFFFAOYSA-N -1 3 381.350 3.721 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1CC(C)C ZINC001526727177 962885648 /nfs/dbraw/zinc/88/56/48/962885648.db2.gz JOYPSUMLIZIYMJ-OAHLLOKOSA-N -1 3 383.286 3.515 20 0 GHADHM O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(O)cc1[O-] ZINC001625793321 1014171556 /nfs/dbraw/zinc/17/15/56/1014171556.db2.gz VKVGRGRYCKTNLW-INIZCTEOSA-N -1 3 380.213 3.881 20 0 GHADHM CC(C)OCCOC1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001591726295 975683688 /nfs/dbraw/zinc/68/36/88/975683688.db2.gz MLMQIPJAWXIJAI-KRWDZBQOSA-N -1 3 389.414 3.737 20 0 GHADHM C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001592463642 978190538 /nfs/dbraw/zinc/19/05/38/978190538.db2.gz GCOILHPOXCGDLM-JHJVBQTASA-N -1 3 383.514 3.670 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c(I)c2)n1 ZINC001626414332 1014519079 /nfs/dbraw/zinc/51/90/79/1014519079.db2.gz OKULQHXGYVETEB-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000832056349 979038597 /nfs/dbraw/zinc/03/85/97/979038597.db2.gz CJRORUATMBXSCD-INIZCTEOSA-N -1 3 385.338 3.518 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592872349 979728724 /nfs/dbraw/zinc/72/87/24/979728724.db2.gz KFBJOAOOWIFVQM-KRWDZBQOSA-N -1 3 395.503 3.520 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595836852 982744584 /nfs/dbraw/zinc/74/45/84/982744584.db2.gz MFZSEANTKFAWMA-RCCFBDPRSA-N -1 3 380.916 3.730 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595836851 982744745 /nfs/dbraw/zinc/74/47/45/982744745.db2.gz MFZSEANTKFAWMA-KSZLIROESA-N -1 3 380.916 3.730 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001595846264 982771832 /nfs/dbraw/zinc/77/18/32/982771832.db2.gz OZUJPMGQTVSJFE-RBUKOAKNSA-N -1 3 388.508 3.773 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccco1 ZINC001594993929 982868277 /nfs/dbraw/zinc/86/82/77/982868277.db2.gz DKHSYYWLKXFJAL-XHDPSFHLSA-N -1 3 377.416 3.676 20 0 GHADHM CNC(=O)Oc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000817023078 1014952124 /nfs/dbraw/zinc/95/21/24/1014952124.db2.gz ANTPUHDJHSSTSS-UHFFFAOYSA-N -1 3 392.411 3.942 20 0 GHADHM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596150239 983509664 /nfs/dbraw/zinc/50/96/64/983509664.db2.gz FTUKIZHHGYCWCD-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001596155925 983514377 /nfs/dbraw/zinc/51/43/77/983514377.db2.gz LSXZHJAFKIGHOE-UHFFFAOYSA-N -1 3 376.497 3.915 20 0 GHADHM CCN1CC[C@@H](NCc2cc(C)c(C(=O)[O-])o2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596410600 984002353 /nfs/dbraw/zinc/00/23/53/984002353.db2.gz QJAJPGMSRDBHDA-NVXWUHKLSA-N -1 3 382.382 3.629 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1OC(C)C ZINC000544845966 1015093340 /nfs/dbraw/zinc/09/33/40/1015093340.db2.gz FUHMNQNOAHCNPP-CYBMUJFWSA-N -1 3 377.462 3.607 20 0 GHADHM Cc1ccccc1Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000544901073 1015181240 /nfs/dbraw/zinc/18/12/40/1015181240.db2.gz DCFCIPJYRKFFOC-ZDUSSCGKSA-N -1 3 391.880 3.662 20 0 GHADHM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC001589335033 986205932 /nfs/dbraw/zinc/20/59/32/986205932.db2.gz LLAIWPVOSHNWEP-WBMJQRKESA-N -1 3 387.307 3.842 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)ccc1OC ZINC001597035347 986470765 /nfs/dbraw/zinc/47/07/65/986470765.db2.gz HQJQPLLGTHNOEE-GOSISDBHSA-N -1 3 379.840 3.671 20 0 GHADHM CCOc1cc(C[NH2+]CC2(C(=O)[O-])CCCCC2)cc(Br)c1[O-] ZINC001597035651 986471964 /nfs/dbraw/zinc/47/19/64/986471964.db2.gz MIMAFJALEGCQRK-UHFFFAOYSA-N -1 3 386.286 3.678 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC001597073998 986595698 /nfs/dbraw/zinc/59/56/98/986595698.db2.gz DPPDZDVQBGITGP-LJQANCHMSA-N -1 3 375.490 3.791 20 0 GHADHM C[C@@H]1OC[C@]2(CC[C@H](CNCc3ccc(-c4ccc(C(=O)[O-])cc4)o3)O2)[C@H]1C ZINC001594639681 986780336 /nfs/dbraw/zinc/78/03/36/986780336.db2.gz IWRBXKBQYMDYPT-RMVFTWNNSA-N -1 3 385.460 3.707 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1 ZINC001597180019 987042849 /nfs/dbraw/zinc/04/28/49/987042849.db2.gz WYLVRKDUOUQFPG-PXNSSMCTSA-N -1 3 380.444 3.528 20 0 GHADHM CCS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC001597234011 987194117 /nfs/dbraw/zinc/19/41/17/987194117.db2.gz LLRBNBVXCIXOID-FQEVSTJZSA-N -1 3 383.469 3.549 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)N(C)C)cc1 ZINC001597513499 988111530 /nfs/dbraw/zinc/11/15/30/988111530.db2.gz WFRYLTMVGWSFJC-FOIQADDNSA-N -1 3 383.492 3.862 20 0 GHADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])C1 ZINC001589806485 988231656 /nfs/dbraw/zinc/23/16/56/988231656.db2.gz PPVLJZQFHHJZIC-INIZCTEOSA-N -1 3 377.243 3.843 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(C(=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001589929093 988682552 /nfs/dbraw/zinc/68/25/52/988682552.db2.gz RIEUXTOYNOPIFW-OAHLLOKOSA-N -1 3 382.888 3.773 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590004358 988941221 /nfs/dbraw/zinc/94/12/21/988941221.db2.gz PBTOISOREUXZBP-UWJYYQICSA-N -1 3 392.471 3.674 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(CNCc3ccoc3C(=O)[O-])cccc2C1 ZINC001590082901 989188203 /nfs/dbraw/zinc/18/82/03/989188203.db2.gz PTXIJPURQUZOIU-UHFFFAOYSA-N -1 3 386.448 3.561 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CCNCc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC001590124164 989346244 /nfs/dbraw/zinc/34/62/44/989346244.db2.gz HCECBNLPDPVWAW-KRWDZBQOSA-N -1 3 388.464 3.594 20 0 GHADHM CCc1oc(CN[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597799863 989387359 /nfs/dbraw/zinc/38/73/59/989387359.db2.gz UYFYJBUECCNYCT-UZLBHIALSA-N -1 3 378.469 3.562 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)C1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001590150102 989447930 /nfs/dbraw/zinc/44/79/30/989447930.db2.gz CXTFWZZAELJXQB-UHFFFAOYSA-N -1 3 391.512 3.543 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2Cc1ccsc1C(=O)[O-] ZINC001590167961 989486342 /nfs/dbraw/zinc/48/63/42/989486342.db2.gz DOYGGNRCKNVKFJ-KUHUBIRLSA-N -1 3 380.510 3.716 20 0 GHADHM CC(C)(C)OC(=O)NCCCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC001590194495 989551622 /nfs/dbraw/zinc/55/16/22/989551622.db2.gz INOSXUIJXWZJON-UHFFFAOYSA-N -1 3 387.480 3.630 20 0 GHADHM CC(C)(C)OC(=O)c1ccccc1OCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001590369630 989859104 /nfs/dbraw/zinc/85/91/04/989859104.db2.gz VKTFBPIWDTZPBK-LJQANCHMSA-N -1 3 397.471 3.705 20 0 GHADHM CCN(CC)C(=O)Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468311272 1015573571 /nfs/dbraw/zinc/57/35/71/1015573571.db2.gz IGWLLECARSMUBU-UHFFFAOYSA-N -1 3 386.467 3.904 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(Cl)cc1 ZINC001598200835 990818939 /nfs/dbraw/zinc/81/89/39/990818939.db2.gz SBUMBSRBTXZJPZ-AWEZNQCLSA-N -1 3 397.262 3.511 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001598202910 990826208 /nfs/dbraw/zinc/82/62/08/990826208.db2.gz MWOQVIHYYNSPJD-HNNXBMFYSA-N -1 3 397.809 3.741 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001590981293 991139587 /nfs/dbraw/zinc/13/95/87/991139587.db2.gz SWZNVRJDZRBTCT-LJQANCHMSA-N -1 3 387.455 3.802 20 0 GHADHM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468353821 1015617521 /nfs/dbraw/zinc/61/75/21/1015617521.db2.gz SMKJIEVWCLPSLK-UHFFFAOYSA-N -1 3 390.430 3.869 20 0 GHADHM CN(CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598492465 992317100 /nfs/dbraw/zinc/31/71/00/992317100.db2.gz MCUHJLZVRKELES-CYBMUJFWSA-N -1 3 377.268 3.576 20 0 GHADHM CN(CCOc1cccc(C(=O)[O-])c1)Cc1ccc(Br)c(F)c1 ZINC001598499868 992420106 /nfs/dbraw/zinc/42/01/06/992420106.db2.gz XIFQYQPQGWKTCZ-UHFFFAOYSA-N -1 3 382.229 3.797 20 0 GHADHM CC(C)N(CCN(C)C)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001591591347 992807220 /nfs/dbraw/zinc/80/72/20/992807220.db2.gz UESZXTNPBGSUNK-UHFFFAOYSA-N -1 3 399.491 3.768 20 0 GHADHM COc1ccc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2nccn2C)cc1 ZINC000468523359 1015774005 /nfs/dbraw/zinc/77/40/05/1015774005.db2.gz PPVMZYZYULLMLH-OAQYLSRUSA-N -1 3 397.450 3.502 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001598585370 993374223 /nfs/dbraw/zinc/37/42/23/993374223.db2.gz QULVBQKZZAZHQW-UHFFFAOYSA-N -1 3 399.466 3.581 20 0 GHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001593190873 994128844 /nfs/dbraw/zinc/12/88/44/994128844.db2.gz XYBPNYOQKDABDA-VOJFVSQTSA-N -1 3 392.377 3.701 20 0 GHADHM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC001593232993 994390266 /nfs/dbraw/zinc/39/02/66/994390266.db2.gz YMUYSUGZNFACRE-KDOFPFPSSA-N -1 3 394.496 3.590 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2cc3c(c(Cl)c2)OCO3)c1 ZINC001599655833 994577620 /nfs/dbraw/zinc/57/76/20/994577620.db2.gz ORVHKYANPVOTHX-IBGZPJMESA-N -1 3 377.824 3.557 20 0 GHADHM C[C@@](NCc1ccc2c(c1)OCCO2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593304238 994744018 /nfs/dbraw/zinc/74/40/18/994744018.db2.gz IVRXXLJHMVUXDK-SFHVURJKSA-N -1 3 382.243 3.854 20 0 GHADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(Br)c(F)c1 ZINC001593305568 994763961 /nfs/dbraw/zinc/76/39/61/994763961.db2.gz XFIBSEWQKCDGJB-LLVKDONJSA-N -1 3 382.229 3.902 20 0 GHADHM C[C@@H](Oc1ccccc1CNC[C@@H](c1ccccc1Cl)N(C)C)C(=O)[O-] ZINC001593646605 995987059 /nfs/dbraw/zinc/98/70/59/995987059.db2.gz SZJDVGJBNAUQRJ-KDOFPFPSSA-N -1 3 376.884 3.584 20 0 GHADHM C[C@H](c1ccccc1Cl)N(CCCN1C(=O)CS/C1=C\C(=O)[O-])C1CC1 ZINC001593713993 996226955 /nfs/dbraw/zinc/22/69/55/996226955.db2.gz UEZDIFUCOBFXQA-NCUBORBFSA-N -1 3 394.924 3.757 20 0 GHADHM COc1ccc([C@H](NC/C(C)=C/c2ccccc2OC(F)F)C(=O)[O-])cc1O ZINC001599529042 997615562 /nfs/dbraw/zinc/61/55/62/997615562.db2.gz GIFWFKPYLSMWFQ-PEKVBPLLSA-N -1 3 393.386 3.821 20 0 GHADHM CCC(CC)(CC)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000468959283 1016273876 /nfs/dbraw/zinc/27/38/76/1016273876.db2.gz MROONVPMFXFFCA-UHFFFAOYSA-N -1 3 395.500 3.901 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@@H](C)C(C)(C)C)no2)cc1 ZINC000545736208 1016315965 /nfs/dbraw/zinc/31/59/65/1016315965.db2.gz YYXAHJUYBFPMTB-CYBMUJFWSA-N -1 3 381.498 3.948 20 0 GHADHM CSc1ccc(-c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)c(Cl)c1 ZINC000545804351 1016413918 /nfs/dbraw/zinc/41/39/18/1016413918.db2.gz YQRUXFDHJNJWAG-UHFFFAOYSA-N -1 3 396.881 3.545 20 0 GHADHM CCOc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000545855558 1016525641 /nfs/dbraw/zinc/52/56/41/1016525641.db2.gz FMAKOEDEMJKZEQ-KRWDZBQOSA-N -1 3 388.895 3.839 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)c2c([O-])cnc3ccc(C)cc32)CC1 ZINC001154528393 1032165547 /nfs/dbraw/zinc/16/55/47/1032165547.db2.gz VJRJVYKUDSQCJM-UHFFFAOYSA-N -1 3 391.471 3.610 20 0 GHADHM O=C([N-]c1nsc2ncccc12)c1noc2cc(Br)ccc21 ZINC001154897955 1032334025 /nfs/dbraw/zinc/33/40/25/1032334025.db2.gz CSEOQOKAUMEWMC-UHFFFAOYSA-N -1 3 375.207 3.847 20 0 GHADHM CC(C)Oc1cc(COc2cccc([O-])c2I)ccn1 ZINC001227377618 1032395822 /nfs/dbraw/zinc/39/58/22/1032395822.db2.gz HZEKBFZZBULBEP-UHFFFAOYSA-N -1 3 385.201 3.758 20 0 GHADHM CN1CCOc2cc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)ccc21 ZINC001155184515 1032448301 /nfs/dbraw/zinc/44/83/01/1032448301.db2.gz XHEVYALEEPPPBL-UHFFFAOYSA-N -1 3 390.465 3.571 20 0 GHADHM O=c1cc(O[C@H]2CCCN(Cc3cnc(Cl)s3)C2)[n-]c(C(F)(F)F)c1 ZINC001227584141 1032473191 /nfs/dbraw/zinc/47/31/91/1032473191.db2.gz QKBRLXOWTOXPKD-JTQLQIEISA-N -1 3 393.818 3.959 20 0 GHADHM CN1CCC[C@H](Oc2cc([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c23)CC1 ZINC001227817090 1032626749 /nfs/dbraw/zinc/62/67/49/1032626749.db2.gz UGNIPZROFTWIFU-KRWDZBQOSA-N -1 3 381.428 3.734 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC001155675834 1032635876 /nfs/dbraw/zinc/63/58/76/1032635876.db2.gz AICGCNZFJKFQHG-AWEZNQCLSA-N -1 3 394.537 3.976 20 0 GHADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1cc(Cl)ccc1Cl ZINC000559140159 1017371007 /nfs/dbraw/zinc/37/10/07/1017371007.db2.gz FQXCLOQVAUPFDL-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)[N-]OCCC(F)(F)F ZINC000777973024 1017937786 /nfs/dbraw/zinc/93/77/86/1017937786.db2.gz BKRBLSXBESYPAX-UHFFFAOYSA-N -1 3 379.176 3.782 20 0 GHADHM CCCCCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001204313310 1032755574 /nfs/dbraw/zinc/75/55/74/1032755574.db2.gz XLSQXDDJACIUBH-UHFFFAOYSA-N -1 3 382.504 3.919 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2nccc(C)c2Br)c(C)c1C ZINC000563432209 1018913463 /nfs/dbraw/zinc/91/34/63/1018913463.db2.gz PZGAOUIKJJJHAF-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM COc1cc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc(Cl)c1[O-] ZINC000564095114 1019008966 /nfs/dbraw/zinc/00/89/66/1019008966.db2.gz QOHHPSYNQVRLMD-MRXNPFEDSA-N -1 3 394.924 3.809 20 0 GHADHM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566436622 1019227364 /nfs/dbraw/zinc/22/73/64/1019227364.db2.gz DDZWXVRWFVPHTI-SFHVURJKSA-N -1 3 389.459 3.743 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(Cl)cc1 ZINC000567116514 1019268507 /nfs/dbraw/zinc/26/85/07/1019268507.db2.gz AFOVGVCZQPWYFS-ZWKOTPCHSA-N -1 3 381.881 3.823 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1)c1ccc(C)o1 ZINC000567652440 1019325070 /nfs/dbraw/zinc/32/50/70/1019325070.db2.gz CSVDVAHDKHZWPN-CQSZACIVSA-N -1 3 377.384 3.581 20 0 GHADHM CC(C)(C)c1noc(CCCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1 ZINC000155760524 1019544523 /nfs/dbraw/zinc/54/45/23/1019544523.db2.gz VREAOLJSYIHAPN-UHFFFAOYSA-N -1 3 385.386 3.957 20 0 GHADHM Cn1nccc1[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000571347737 1019675858 /nfs/dbraw/zinc/67/58/58/1019675858.db2.gz WLVWIWMPVVSPRY-FQEVSTJZSA-N -1 3 389.499 3.931 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC001204417042 1032847057 /nfs/dbraw/zinc/84/70/57/1032847057.db2.gz QEQIANATLMNUNW-AWEZNQCLSA-N -1 3 388.386 3.601 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000575748376 1019942550 /nfs/dbraw/zinc/94/25/50/1019942550.db2.gz CKOPDUYOJFRYIO-YXMPFFBPSA-N -1 3 387.307 3.602 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cccnc1OCC(F)F ZINC001276465264 1032882460 /nfs/dbraw/zinc/88/24/60/1032882460.db2.gz DFSIAXKENWXYJW-UHFFFAOYSA-N -1 3 394.378 3.559 20 0 GHADHM Cc1cc(N2CC[C@@H](Oc3cc(-c4ccccc4)nc(=S)[n-]3)C2)nc(Cl)n1 ZINC001228346514 1032900777 /nfs/dbraw/zinc/90/07/77/1032900777.db2.gz HZPKHSLHGSANTP-CQSZACIVSA-N -1 3 399.907 3.842 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCc3ccc(C4CCC4)cc3)c(=O)c2c(OC)c1 ZINC000626660215 1020474143 /nfs/dbraw/zinc/47/41/43/1020474143.db2.gz VHCRVGDXYQICCT-UHFFFAOYSA-N -1 3 392.455 3.743 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@@H](C4CCCCC4)C3)c(=O)c2c(OC)c1 ZINC000628151832 1020670215 /nfs/dbraw/zinc/67/02/15/1020670215.db2.gz CVGIGUAODKVGLU-MRXNPFEDSA-N -1 3 398.503 3.978 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(C(F)(F)F)c2)s1)c1cn(C2CCC2)nn1 ZINC000633729942 1020933395 /nfs/dbraw/zinc/93/33/95/1020933395.db2.gz YHAIWHVITRVYJY-UHFFFAOYSA-N -1 3 394.382 3.793 20 0 GHADHM Cn1nc2c(c1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl)CCCC2 ZINC000634657826 1020954124 /nfs/dbraw/zinc/95/41/24/1020954124.db2.gz CVBJPLAFGWCGNR-UHFFFAOYSA-N -1 3 375.828 3.691 20 0 GHADHM O=S(=O)([N-]c1cscc1Cl)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000634665313 1020955392 /nfs/dbraw/zinc/95/53/92/1020955392.db2.gz CVMVDKSVYCYEAD-JTQLQIEISA-N -1 3 391.873 3.757 20 0 GHADHM Cc1ccc(C)c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1C(=O)[O-] ZINC000634818985 1020958949 /nfs/dbraw/zinc/95/89/49/1020958949.db2.gz CIMNQTIJCMKPRS-LJQANCHMSA-N -1 3 380.488 3.786 20 0 GHADHM COc1ccc([S@](C)(=O)=NC(=O)c2cccc3[n-]c(C(F)F)nc32)cc1 ZINC001156276507 1032954608 /nfs/dbraw/zinc/95/46/08/1032954608.db2.gz KAGHNRRHCGTTEJ-SANMLTNESA-N -1 3 379.388 3.806 20 0 GHADHM COc1ccc([S@](C)(=O)=NC(=O)c2cccc3nc(C(F)F)[n-]c32)cc1 ZINC001156276507 1032954614 /nfs/dbraw/zinc/95/46/14/1032954614.db2.gz KAGHNRRHCGTTEJ-SANMLTNESA-N -1 3 379.388 3.806 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2SC(F)(F)F)c(=O)[n-]1 ZINC000900862142 1021352243 /nfs/dbraw/zinc/35/22/43/1021352243.db2.gz HEIUAFZBMNAERR-UHFFFAOYSA-N -1 3 385.411 3.660 20 0 GHADHM CO[C@H](COC(=O)c1ccc(I)c([O-])c1)c1ccccc1 ZINC000801857572 1021444287 /nfs/dbraw/zinc/44/42/87/1021444287.db2.gz IFQQPWGSDUZWAY-OAHLLOKOSA-N -1 3 398.196 3.541 20 0 GHADHM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001228554523 1032984523 /nfs/dbraw/zinc/98/45/23/1032984523.db2.gz KCHYBOGJDMEMDU-INIZCTEOSA-N -1 3 375.852 3.997 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCOC1 ZINC000902920650 1021552309 /nfs/dbraw/zinc/55/23/09/1021552309.db2.gz NTHYFSMFPIZYAH-DTWKUNHWSA-N -1 3 386.748 3.777 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000903907198 1021653701 /nfs/dbraw/zinc/65/37/01/1021653701.db2.gz IKXDIVVQRCPSPI-DOTOQJQBSA-N -1 3 382.298 3.520 20 0 GHADHM Cc1c(Br)cccc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903924013 1021655536 /nfs/dbraw/zinc/65/55/36/1021655536.db2.gz GNCDHNXCRQBMHB-LBPRGKRZSA-N -1 3 381.295 3.902 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952298 1021664878 /nfs/dbraw/zinc/66/48/78/1021664878.db2.gz XIRQOMCANWBJMR-OXRQTFEDSA-N -1 3 388.489 3.858 20 0 GHADHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccccc4C(=O)[O-])C[C@H]3O2)n1 ZINC001140499160 1021874398 /nfs/dbraw/zinc/87/43/98/1021874398.db2.gz IVUHNJMNZGEAIQ-RYGJVYDSSA-N -1 3 381.476 3.650 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC001140547735 1021949099 /nfs/dbraw/zinc/94/90/99/1021949099.db2.gz LPYVVIWAMOPZED-ZDUSSCGKSA-N -1 3 385.302 3.644 20 0 GHADHM CCOC[C@@H]1CN(Cc2cccc([O-])c2Br)Cc2cnn(CC)c21 ZINC001140550751 1021952402 /nfs/dbraw/zinc/95/24/02/1021952402.db2.gz ZSOQSTFQJMJIOV-HNNXBMFYSA-N -1 3 394.313 3.507 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140550786 1021953130 /nfs/dbraw/zinc/95/31/30/1021953130.db2.gz IVVGGRZZHSTJEU-ZDUSSCGKSA-N -1 3 399.329 3.844 20 0 GHADHM CCN(Cc1cccc([O-])c1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140552224 1021955191 /nfs/dbraw/zinc/95/51/91/1021955191.db2.gz BPDVCAWLKFBFGV-AWEZNQCLSA-N -1 3 399.329 3.986 20 0 GHADHM CCCc1noc([C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC001140553022 1021955934 /nfs/dbraw/zinc/95/59/34/1021955934.db2.gz PPPSLOXACPTTJD-CYBMUJFWSA-N -1 3 380.286 3.870 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1cccc([O-])c1Br ZINC001140555767 1021959970 /nfs/dbraw/zinc/95/99/70/1021959970.db2.gz VTALZWRHFXUVHM-KBPBESRZSA-N -1 3 397.313 3.738 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]1C1CC1 ZINC000679554104 1022013185 /nfs/dbraw/zinc/01/31/85/1022013185.db2.gz VYZMUPCZCWDOQA-LEWJYISDSA-N -1 3 378.472 3.654 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cnc1N1CCCC[C@@H]1C ZINC000679583049 1022019755 /nfs/dbraw/zinc/01/97/55/1022019755.db2.gz MRYQTRGUAXUIFW-HNNXBMFYSA-N -1 3 376.460 3.863 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1Cl ZINC000680106836 1022093935 /nfs/dbraw/zinc/09/39/35/1022093935.db2.gz BWKHAIFQKOCXFW-LLVKDONJSA-N -1 3 380.199 3.684 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc(OC)c1[O-] ZINC000754275201 1022576633 /nfs/dbraw/zinc/57/66/33/1022576633.db2.gz HQYNJMIQYXWAQW-GFCCVEGCSA-N -1 3 384.388 3.686 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc(OC)c1[O-] ZINC000754281329 1022581309 /nfs/dbraw/zinc/58/13/09/1022581309.db2.gz RDZYUIOLKATBKE-LBPRGKRZSA-N -1 3 384.388 3.686 20 0 GHADHM [O-]c1c(Cl)cc(CN2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1Cl ZINC001140831810 1022653027 /nfs/dbraw/zinc/65/30/27/1022653027.db2.gz VWGTZCBDKCPPQZ-BETUJISGSA-N -1 3 384.332 3.719 20 0 GHADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000754440378 1022709514 /nfs/dbraw/zinc/70/95/14/1022709514.db2.gz GJMLUIIMMUJUNL-ZDUSSCGKSA-N -1 3 387.274 3.643 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 ZINC000754451681 1022714351 /nfs/dbraw/zinc/71/43/51/1022714351.db2.gz PTBMCUJFKZHHGC-UHFFFAOYSA-N -1 3 389.484 3.954 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000755141300 1023093450 /nfs/dbraw/zinc/09/34/50/1023093450.db2.gz HHURGDNZFAMQHX-LLVKDONJSA-N -1 3 385.445 3.802 20 0 GHADHM O=C([O-])C[C@@H](NC/C=C/c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000756378638 1023619095 /nfs/dbraw/zinc/61/90/95/1023619095.db2.gz HGACZKQMVRFERK-DPZZJQGRSA-N -1 3 383.398 3.969 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1 ZINC000756946996 1023880207 /nfs/dbraw/zinc/88/02/07/1023880207.db2.gz HYJOBQWXULJZRI-NSHDSACASA-N -1 3 396.340 3.891 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C2(C(=O)[N-]OCc3ccc(F)cc3)CC2)CC1 ZINC001138146655 1024230692 /nfs/dbraw/zinc/23/06/92/1024230692.db2.gz VRVPNUBBXWLSRG-UHFFFAOYSA-N -1 3 392.471 3.801 20 0 GHADHM O=C([O-])Cn1cc(CN2CCN(C3(c4ccccc4)CC3)CC2)c2ccccc21 ZINC001138197457 1024347605 /nfs/dbraw/zinc/34/76/05/1024347605.db2.gz VPGNSTCJMVUKGJ-UHFFFAOYSA-N -1 3 389.499 3.533 20 0 GHADHM CCc1cccc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1[O-] ZINC000837787723 1024711933 /nfs/dbraw/zinc/71/19/33/1024711933.db2.gz NVJXZKOAFYOOOL-FQEVSTJZSA-N -1 3 375.415 3.819 20 0 GHADHM O=C(COC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)[N-]C(=O)c1cccs1 ZINC000838006130 1024874733 /nfs/dbraw/zinc/87/47/33/1024874733.db2.gz KPBUBQDPRZMWDE-AAEUAGOBSA-N -1 3 395.839 3.534 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC001141437777 1025054948 /nfs/dbraw/zinc/05/49/48/1025054948.db2.gz WTOZTMVHOCKWLN-LLVKDONJSA-N -1 3 391.265 3.610 20 0 GHADHM COc1cc(OC)cc(-c2cccc(NC(=O)Cc3ccc([O-])c(F)c3)n2)c1 ZINC001141541405 1025439312 /nfs/dbraw/zinc/43/93/12/1025439312.db2.gz SSZGUFCOZUGTKI-UHFFFAOYSA-N -1 3 382.391 3.792 20 0 GHADHM CC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccnc(Cl)c1 ZINC000838913555 1025439389 /nfs/dbraw/zinc/43/93/89/1025439389.db2.gz AHDRSBZRSISSNN-CQSZACIVSA-N -1 3 386.832 3.554 20 0 GHADHM [O-]c1cccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)c1Br ZINC000838927183 1025448367 /nfs/dbraw/zinc/44/83/67/1025448367.db2.gz CTWFVCPLLKJSCK-HNNXBMFYSA-N -1 3 390.199 3.694 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3c(F)cccc3F)CCC2)c1 ZINC001161900012 1025481392 /nfs/dbraw/zinc/48/13/92/1025481392.db2.gz GVJHLPDXODBUSJ-UHFFFAOYSA-N -1 3 386.398 3.647 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)cc1 ZINC001138925652 1025593352 /nfs/dbraw/zinc/59/33/52/1025593352.db2.gz SZTKNXFBTKHHIH-FQEVSTJZSA-N -1 3 389.879 3.985 20 0 GHADHM Cc1ncc(NC(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)c(=O)[n-]1 ZINC001162302330 1025706908 /nfs/dbraw/zinc/70/69/08/1025706908.db2.gz HKNJKUDANDOMJB-CQSZACIVSA-N -1 3 380.757 3.578 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])CC(c2ccccc2)=NO1 ZINC001141622239 1025930315 /nfs/dbraw/zinc/93/03/15/1025930315.db2.gz IBQBMDQEYSDYGW-KRWDZBQOSA-N -1 3 375.222 3.677 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)[n-]n1 ZINC001162881009 1025951861 /nfs/dbraw/zinc/95/18/61/1025951861.db2.gz SBVGOGSXMYULPQ-UHFFFAOYSA-N -1 3 393.447 3.680 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)n[n-]1 ZINC001162881009 1025951864 /nfs/dbraw/zinc/95/18/64/1025951864.db2.gz SBVGOGSXMYULPQ-UHFFFAOYSA-N -1 3 393.447 3.680 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)[n-]n1 ZINC001162885078 1025953103 /nfs/dbraw/zinc/95/31/03/1025953103.db2.gz CYMNHKQBHIKVKC-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)n[n-]1 ZINC001162885078 1025953106 /nfs/dbraw/zinc/95/31/06/1025953106.db2.gz CYMNHKQBHIKVKC-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139250402 1026100524 /nfs/dbraw/zinc/10/05/24/1026100524.db2.gz SDZMGOHVUUDITP-UHFFFAOYSA-N -1 3 389.455 3.538 20 0 GHADHM COc1cccc(CN2CCC3(CCc4ccccc43)CC2)c1OCC(=O)[O-] ZINC001139267786 1026115591 /nfs/dbraw/zinc/11/55/91/1026115591.db2.gz HOHBXAWWNAQWPR-UHFFFAOYSA-N -1 3 381.472 3.639 20 0 GHADHM O=C(Nc1c[nH]nc1Br)c1cc(OCc2ccccc2)ccc1[O-] ZINC001163448554 1026199659 /nfs/dbraw/zinc/19/96/59/1026199659.db2.gz IKYYPFDLXGUSFP-UHFFFAOYSA-N -1 3 388.221 3.709 20 0 GHADHM COc1ccc(C(=O)NCCCCc2nc(-c3ccccn3)cs2)c([O-])c1 ZINC001163647004 1026266324 /nfs/dbraw/zinc/26/63/24/1026266324.db2.gz ZJRUOYDHEJCWTG-UHFFFAOYSA-N -1 3 383.473 3.672 20 0 GHADHM CC(=O)c1ccc(C(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1[O-] ZINC000839786038 1026266700 /nfs/dbraw/zinc/26/67/00/1026266700.db2.gz ULKBXLDHEOSMBO-MRXNPFEDSA-N -1 3 390.480 3.504 20 0 GHADHM Fc1ccc(N2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)cc1F ZINC001163838716 1026334866 /nfs/dbraw/zinc/33/48/66/1026334866.db2.gz UZJLZFHBUKIIFB-UHFFFAOYSA-N -1 3 392.809 3.568 20 0 GHADHM COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC001141733127 1026376288 /nfs/dbraw/zinc/37/62/88/1026376288.db2.gz DNUJUDFAUZQHJA-IBGZPJMESA-N -1 3 391.423 3.843 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001164375263 1026498465 /nfs/dbraw/zinc/49/84/65/1026498465.db2.gz SLOYYHGIUHBXAP-LBPRGKRZSA-N -1 3 384.277 3.944 20 0 GHADHM COC([O-])=NC(=S)N(c1cnc(OCC(C)C)c(C)c1)c1ccccc1N ZINC001203012410 1026982521 /nfs/dbraw/zinc/98/25/21/1026982521.db2.gz GTCKBKYOCUQEIW-UHFFFAOYSA-N -1 3 388.493 3.786 20 0 GHADHM CC(C)(C)OC(=O)NC1(c2noc(Cc3ccc([O-])c(F)c3)n2)CCCC1 ZINC000834424831 1026984092 /nfs/dbraw/zinc/98/40/92/1026984092.db2.gz DANBRTJKCOQRCN-UHFFFAOYSA-N -1 3 377.416 3.799 20 0 GHADHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCC[C@H](Cc2ccccc2)C1 ZINC001166563441 1027027977 /nfs/dbraw/zinc/02/79/77/1027027977.db2.gz HFKKXWJINBBYTE-CQSZACIVSA-N -1 3 384.867 3.857 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC001209778803 1027188087 /nfs/dbraw/zinc/18/80/87/1027188087.db2.gz CKCPBWBAXFIXQO-INIZCTEOSA-N -1 3 388.464 3.828 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)(C)C ZINC001210143874 1027357818 /nfs/dbraw/zinc/35/78/18/1027357818.db2.gz YQCJKVMHSIAFQL-CYBMUJFWSA-N -1 3 388.942 3.803 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)C2CC2)n1 ZINC001210143732 1027358538 /nfs/dbraw/zinc/35/85/38/1027358538.db2.gz WHQDTTICYMZWFW-MRXNPFEDSA-N -1 3 396.921 3.909 20 0 GHADHM COC(=O)c1nc(Br)sc1[N-]c1cccnc1C(F)(F)F ZINC001210234615 1027395183 /nfs/dbraw/zinc/39/51/83/1027395183.db2.gz YYWAKVVBVLEFSV-UHFFFAOYSA-N -1 3 382.161 3.850 20 0 GHADHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001210292316 1027429614 /nfs/dbraw/zinc/42/96/14/1027429614.db2.gz UUZHNVAVVKFIOZ-XHDPSFHLSA-N -1 3 388.942 3.679 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2C)c(C)c1Cl ZINC001210526048 1027543948 /nfs/dbraw/zinc/54/39/48/1027543948.db2.gz QOLQEXCTFBXLCM-GXSJLCMTSA-N -1 3 393.958 3.990 20 0 GHADHM COc1nccc2c(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)cccc21 ZINC001141936419 1027705818 /nfs/dbraw/zinc/70/58/18/1027705818.db2.gz MUXZUHPLMOVERC-UHFFFAOYSA-N -1 3 379.803 3.991 20 0 GHADHM COc1ccc(N[C@@H]2CCc3cccc(Cl)c3C2)cc1[N-]S(C)(=O)=O ZINC000840738947 1027779042 /nfs/dbraw/zinc/77/90/42/1027779042.db2.gz KGNRAKFJRQTOIX-CYBMUJFWSA-N -1 3 380.897 3.690 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001142037110 1027928807 /nfs/dbraw/zinc/92/88/07/1027928807.db2.gz SUCKUJIOQOMOSS-FMIVXFBMSA-N -1 3 377.301 3.835 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)ccc1Cl ZINC000840913171 1027948784 /nfs/dbraw/zinc/94/87/84/1027948784.db2.gz SSAVWGGYFCDBKU-UHFFFAOYSA-N -1 3 398.937 3.703 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(C)C ZINC001142067178 1028017617 /nfs/dbraw/zinc/01/76/17/1028017617.db2.gz IMTLVQBEGDQYMB-JKSUJKDBSA-N -1 3 378.419 3.518 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CCC2)s1 ZINC001213194902 1028038474 /nfs/dbraw/zinc/03/84/74/1028038474.db2.gz ZNJUFAOTQYWEIB-UHFFFAOYSA-N -1 3 376.425 3.828 20 0 GHADHM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(OCc2ccccc2)ccc1F ZINC001213276584 1028083284 /nfs/dbraw/zinc/08/32/84/1028083284.db2.gz AYYDDNBVMDOTNE-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CCc2ccccc2OCc2ccccc2)s1 ZINC001213319128 1028108228 /nfs/dbraw/zinc/10/82/28/1028108228.db2.gz XUIPXSRROGQIFS-UHFFFAOYSA-N -1 3 388.514 3.552 20 0 GHADHM [O-]c1c(F)cc(Nc2cc3c(cc2I)OCO3)cc1F ZINC001213388711 1028156849 /nfs/dbraw/zinc/15/68/49/1028156849.db2.gz IIEHCGNJRGYSJO-UHFFFAOYSA-N -1 3 391.111 3.747 20 0 GHADHM COc1ccc(C(=O)N2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)cc1 ZINC001142118541 1028168232 /nfs/dbraw/zinc/16/82/32/1028168232.db2.gz PMLRHQJBRWWBPY-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)c(OC(C)C)c(F)c1)OCC ZINC001213420409 1028183805 /nfs/dbraw/zinc/18/38/05/1028183805.db2.gz WMMQFARNXGUQIF-UHFFFAOYSA-N -1 3 397.422 3.933 20 0 GHADHM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1F ZINC001213421620 1028184398 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1031797723 /nfs/dbraw/zinc/79/77/23/1031797723.db2.gz WLGSVXYVYMHSFP-WDNDVIMCSA-N -1 3 377.510 3.952 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=S)ncc1C1CC1)C2 ZINC001226117813 1031797973 /nfs/dbraw/zinc/79/79/73/1031797973.db2.gz WLGSVXYVYMHSFP-BTTYYORXSA-N -1 3 377.510 3.952 20 0 GHADHM CC(=O)Nc1ccc([C@H](C)NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)cc1 ZINC001153908640 1031806372 /nfs/dbraw/zinc/80/63/72/1031806372.db2.gz UERYVMCHXOHTLR-NSHDSACASA-N -1 3 383.835 3.631 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(C)c(OC(F)F)c3)[n-]nc21 ZINC001154146935 1031950922 /nfs/dbraw/zinc/95/09/22/1031950922.db2.gz LVNCUZMMRDWLMP-UHFFFAOYSA-N -1 3 375.331 3.512 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(C)c(OC(F)F)c3)n[n-]c21 ZINC001154146935 1031950925 /nfs/dbraw/zinc/95/09/25/1031950925.db2.gz LVNCUZMMRDWLMP-UHFFFAOYSA-N -1 3 375.331 3.512 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC001226482819 1031975334 /nfs/dbraw/zinc/97/53/34/1031975334.db2.gz 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O=C(c1ccc2c(=O)[nH][n-]c(=O)c2c1)N1CCC2(CCCc3ccccc32)CC1 ZINC001154313144 1032038629 /nfs/dbraw/zinc/03/86/29/1032038629.db2.gz OTICVCPCJIESNC-UHFFFAOYSA-N -1 3 389.455 3.551 20 0 GHADHM O=C(c1ccc2c(=O)[n-][nH]c(=O)c2c1)N1CCC2(CCCc3ccccc32)CC1 ZINC001154313144 1032038643 /nfs/dbraw/zinc/03/86/43/1032038643.db2.gz OTICVCPCJIESNC-UHFFFAOYSA-N -1 3 389.455 3.551 20 0 GHADHM [O-]c1cccc(OC2CCN(c3ccc(Cl)nn3)CC2)c1Br ZINC001229140116 1033303164 /nfs/dbraw/zinc/30/31/64/1033303164.db2.gz UNDBPHPMSNFHQW-UHFFFAOYSA-N -1 3 384.661 3.646 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)[n-]n1 ZINC001157105733 1033416031 /nfs/dbraw/zinc/41/60/31/1033416031.db2.gz VYDDLEVGGFTQQD-JOCQHMNTSA-N -1 3 390.509 3.906 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)n[n-]1 ZINC001157105733 1033416036 /nfs/dbraw/zinc/41/60/36/1033416036.db2.gz VYDDLEVGGFTQQD-JOCQHMNTSA-N -1 3 390.509 3.906 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001229343419 1033426365 /nfs/dbraw/zinc/42/63/65/1033426365.db2.gz YLOINDVSMZEYMI-AWEZNQCLSA-N -1 3 376.338 3.960 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001229343419 1033426370 /nfs/dbraw/zinc/42/63/70/1033426370.db2.gz YLOINDVSMZEYMI-AWEZNQCLSA-N -1 3 376.338 3.960 20 0 GHADHM Cc1csc2[n-]c(=S)nc(O[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)c12 ZINC001229353111 1033433560 /nfs/dbraw/zinc/43/35/60/1033433560.db2.gz KWLFCLMYYIVGQT-SNVBAGLBSA-N -1 3 381.523 3.923 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c(C)n1Cc1ccccc1 ZINC001157234132 1033485758 /nfs/dbraw/zinc/48/57/58/1033485758.db2.gz NJQYVEGYYUJQQY-LBPRGKRZSA-N -1 3 391.397 3.781 20 0 GHADHM O=C1CCCC(=O)N1c1cccc(NCc2cccc([O-])c2Br)c1 ZINC001205629499 1033500786 /nfs/dbraw/zinc/50/07/86/1033500786.db2.gz WLQIVZXANZDTEI-UHFFFAOYSA-N -1 3 389.249 3.810 20 0 GHADHM Cc1c(F)ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c1F ZINC001206060291 1033703585 /nfs/dbraw/zinc/70/35/85/1033703585.db2.gz OQXWSDDNWIBYSZ-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM CCCCO[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC001229843780 1033748153 /nfs/dbraw/zinc/74/81/53/1033748153.db2.gz TWKCOPIPPYJYCK-JKSUJKDBSA-N -1 3 399.329 3.938 20 0 GHADHM Cc1ccc([C@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)cn1 ZINC001230187560 1033936266 /nfs/dbraw/zinc/93/62/66/1033936266.db2.gz AHNUFOYCDQPUBH-INIZCTEOSA-N -1 3 376.460 3.584 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC001158288903 1034006527 /nfs/dbraw/zinc/00/65/27/1034006527.db2.gz QRRWVRUTBXLKSX-GOSISDBHSA-N -1 3 390.443 3.760 20 0 GHADHM CC(C)Oc1ccc(COc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC001231075995 1034381392 /nfs/dbraw/zinc/38/13/92/1034381392.db2.gz HJCRYARLYDBSNC-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM CCCCOC[C@H](C)OC[C@@H](C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231088341 1034388927 /nfs/dbraw/zinc/38/89/27/1034388927.db2.gz NUGINKQXBJBTIM-QWHCGFSZSA-N -1 3 389.876 3.606 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CCOc3cccc(F)c3)n[n-]2)cc1 ZINC001159357079 1034560594 /nfs/dbraw/zinc/56/05/94/1034560594.db2.gz LYZHTZSFEMBNPX-UHFFFAOYSA-N -1 3 386.452 3.952 20 0 GHADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001159363763 1034564409 /nfs/dbraw/zinc/56/44/09/1034564409.db2.gz RMLHATNRXPRFTI-GFCCVEGCSA-N -1 3 384.509 3.878 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001231458678 1034602900 /nfs/dbraw/zinc/60/29/00/1034602900.db2.gz ZQLXUWFFAZOIKZ-FQEVSTJZSA-N -1 3 388.464 3.605 20 0 GHADHM Cn1cc2c(n1)CN(Cc1ccc([O-])c(C(F)(F)F)c1)C[C@@H]2COCC1CC1 ZINC001231522716 1034673630 /nfs/dbraw/zinc/67/36/30/1034673630.db2.gz RZVJMBYVYNDAHC-OAHLLOKOSA-N -1 3 395.425 3.671 20 0 GHADHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523678 1034675475 /nfs/dbraw/zinc/67/54/75/1034675475.db2.gz VCZBZBYYLDNMIW-UHFFFAOYSA-N -1 3 386.414 3.900 20 0 GHADHM Cc1[nH]c2ccccc2c1SCCNC(=O)c1nnc2ccccc2c1[O-] ZINC001159966570 1034806959 /nfs/dbraw/zinc/80/69/59/1034806959.db2.gz MHDDEFGVAPMVTH-UHFFFAOYSA-N -1 3 378.457 3.647 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001231794418 1034912231 /nfs/dbraw/zinc/91/22/31/1034912231.db2.gz AMBFRKIYWJDOAP-SFHVURJKSA-N -1 3 375.852 3.847 20 0 GHADHM CC(=O)Nc1ccc2nc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)sc2c1 ZINC001160458826 1034980894 /nfs/dbraw/zinc/98/08/94/1034980894.db2.gz PTZSWOWGGCTWKC-UHFFFAOYSA-N -1 3 392.440 3.657 20 0 GHADHM CCc1ccc(C(=O)NCc2nc3cc(Br)ccc3o2)c([O-])c1 ZINC001160490145 1034988422 /nfs/dbraw/zinc/98/84/22/1034988422.db2.gz YGZKYKRXYLDARL-UHFFFAOYSA-N -1 3 375.222 3.788 20 0 GHADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001208854256 1035059577 /nfs/dbraw/zinc/05/95/77/1035059577.db2.gz BJILRBKVBGJKPJ-LBPRGKRZSA-N -1 3 386.286 3.806 20 0 GHADHM COc1cccc(C(=O)Nc2cc(-c3ccc(Br)o3)no2)c1[O-] ZINC001160991144 1035113508 /nfs/dbraw/zinc/11/35/08/1035113508.db2.gz JOEWWXLCAZONQE-UHFFFAOYSA-N -1 3 379.166 3.664 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1(C)C ZINC001161280467 1035200232 /nfs/dbraw/zinc/20/02/32/1035200232.db2.gz NQUXTIBJFKDJNJ-NRFANRHFSA-N -1 3 396.447 3.914 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(C)c(N3CCCC3)c1)c2=O ZINC001161781012 1035299933 /nfs/dbraw/zinc/29/99/33/1035299933.db2.gz ZCWLFFQKHCDJEM-UHFFFAOYSA-N -1 3 377.444 3.698 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c(F)cc1Br ZINC001209652575 1035343161 /nfs/dbraw/zinc/34/31/61/1035343161.db2.gz PGHZNJUZLQFXDY-CYBMUJFWSA-N -1 3 398.297 3.905 20 0 GHADHM Cc1c2cccc(-c3noc([C@@H](N)Cc4ccc([O-])c(Cl)c4)n3)c2nn1C ZINC001248249295 1035696532 /nfs/dbraw/zinc/69/65/32/1035696532.db2.gz IBJZOTDMPVNZFN-HNNXBMFYSA-N -1 3 383.839 3.533 20 0 GHADHM [O-]c1ccc(CN2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1F ZINC001462017002 1069947584 /nfs/dbraw/zinc/94/75/84/1069947584.db2.gz FBHOFVUXVVALHB-UHFFFAOYSA-N -1 3 376.300 3.549 20 0 GHADHM O=C(NCc1nc(-c2ccc(-c3ccc(F)cc3)cn2)no1)c1ccccc1[O-] ZINC001248499300 1035916094 /nfs/dbraw/zinc/91/60/94/1035916094.db2.gz AHAKDPZXMXUXPL-UHFFFAOYSA-N -1 3 390.374 3.573 20 0 GHADHM Cc1ccc(-c2noc(CNC(=O)c3ccccc3[O-])n2)c(C(F)(F)F)c1 ZINC001248499408 1035917906 /nfs/dbraw/zinc/91/79/06/1035917906.db2.gz CXKCXLDPDIWQTN-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM Cc1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc([O-])c1F ZINC001244525736 1036533198 /nfs/dbraw/zinc/53/31/98/1036533198.db2.gz UYEXLGKGTVNLSP-UHFFFAOYSA-N -1 3 386.390 3.638 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001245164697 1036792747 /nfs/dbraw/zinc/79/27/47/1036792747.db2.gz OBTNJIDLEFPURC-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001245164697 1036792762 /nfs/dbraw/zinc/79/27/62/1036792762.db2.gz OBTNJIDLEFPURC-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM COc1ccc(OC)c(NC(=S)Nc2ccc([O-])c(Br)c2)c1 ZINC001245689210 1036974741 /nfs/dbraw/zinc/97/47/41/1036974741.db2.gz MQKWAVHTNMEBLG-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM COc1c(Cl)ccc(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)c1F ZINC001247265661 1038044628 /nfs/dbraw/zinc/04/46/28/1038044628.db2.gz RPTRASGUEKOXKC-UHFFFAOYSA-N -1 3 383.166 3.838 20 0 GHADHM O=C1C=C([O-])CC(c2nc(-c3ccc4c(c3)CO[C@H]4c3ccc(F)cc3)no2)C1 ZINC001247548443 1038244227 /nfs/dbraw/zinc/24/42/27/1038244227.db2.gz BPHBSPVCWPVIKP-FQEVSTJZSA-N -1 3 392.386 3.901 20 0 GHADHM O=C1C=C([O-])CC(c2nc(-c3ccc4c(c3)CO[C@@H]4c3ccc(F)cc3)no2)C1 ZINC001247548444 1038244266 /nfs/dbraw/zinc/24/42/66/1038244266.db2.gz BPHBSPVCWPVIKP-HXUWFJFHSA-N -1 3 392.386 3.901 20 0 GHADHM CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ncc1[O-] ZINC001277681104 1038325035 /nfs/dbraw/zinc/32/50/35/1038325035.db2.gz PONXRBIDTINWLV-HRCADAONSA-N -1 3 379.932 3.946 20 0 GHADHM COCc1cc(NCc2cccc([O-])c2Br)cc(C(=O)OC)c1 ZINC001462269485 1070134372 /nfs/dbraw/zinc/13/43/72/1070134372.db2.gz BAYHDSOIBLXOBQ-UHFFFAOYSA-N -1 3 380.238 3.700 20 0 GHADHM CCN(CC)C(=O)c1nc2c(s1)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001232786236 1038552239 /nfs/dbraw/zinc/55/22/39/1038552239.db2.gz SVCVTVMTVZUHDA-UHFFFAOYSA-N -1 3 393.940 3.585 20 0 GHADHM CCOC(=O)[C@H]1CCN(Cc2cc([O-])c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC001232975206 1038746529 /nfs/dbraw/zinc/74/65/29/1038746529.db2.gz HBNSFXFUESBISL-IRXDYDNUSA-N -1 3 375.415 3.839 20 0 GHADHM [O-]c1c(Br)ccc(Cl)c1NC[C@H](O)COCc1ccccc1 ZINC001252297609 1038931234 /nfs/dbraw/zinc/93/12/34/1038931234.db2.gz IZXNYDXDJIMQMY-LBPRGKRZSA-N -1 3 386.673 3.798 20 0 GHADHM CSc1cccc(Cl)c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001233353058 1039168675 /nfs/dbraw/zinc/16/86/75/1039168675.db2.gz FTOASRWPMWFKSU-UHFFFAOYSA-N -1 3 376.909 3.726 20 0 GHADHM O=S(=O)(Cc1ccccc1)[N-]c1cccc2cncc(Br)c21 ZINC001252879980 1039229331 /nfs/dbraw/zinc/22/93/31/1039229331.db2.gz GOWXAISGTHDCCB-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(Cl)c1[O-] ZINC001233397970 1039233119 /nfs/dbraw/zinc/23/31/19/1039233119.db2.gz SJGFIQQUIRPDNU-CYBMUJFWSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(Cl)c1[O-] ZINC001233401710 1039243711 /nfs/dbraw/zinc/24/37/11/1039243711.db2.gz KWNRTFVZHAZNGX-JSGCOSHPSA-N -1 3 384.904 3.932 20 0 GHADHM COc1cc(OC)cc(-c2nnc(-c3cc([O-])ccc3Br)o2)c1 ZINC001253916822 1039899011 /nfs/dbraw/zinc/89/90/11/1039899011.db2.gz AIZMEBPDPIZMHK-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(OC)c(Cl)cc1Cl ZINC001254025425 1039959919 /nfs/dbraw/zinc/95/99/19/1039959919.db2.gz OPUJFQCLOPMYOI-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(Cl)cc(F)cc1C1CC1 ZINC001254050651 1039975845 /nfs/dbraw/zinc/97/58/45/1039975845.db2.gz NJVZFWGGEVWTAM-UHFFFAOYSA-N -1 3 383.828 3.944 20 0 GHADHM O=c1c2ccccc2oc(-c2ccccc2[O-])c1OC1CCN(CCF)CC1 ZINC001234380173 1039991604 /nfs/dbraw/zinc/99/16/04/1039991604.db2.gz SPKQWNQQJOHTRZ-UHFFFAOYSA-N -1 3 383.419 3.978 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](COc1c([O-])cc(Cl)cc1F)O2 ZINC001234448995 1040040977 /nfs/dbraw/zinc/04/09/77/1040040977.db2.gz ZUTJBHMPOCQTBD-LBPRGKRZSA-N -1 3 387.835 3.732 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](Oc3c([O-])cc(Cl)cc3F)CC[C@@H]21 ZINC001234448967 1040041288 /nfs/dbraw/zinc/04/12/88/1040041288.db2.gz ZOTXGIQQFWETSF-NOLJZWGESA-N -1 3 387.835 3.730 20 0 GHADHM O=S(=O)([N-]c1ccc(F)nc1Br)c1cccc(C(F)(F)F)c1 ZINC001254213293 1040068708 /nfs/dbraw/zinc/06/87/08/1040068708.db2.gz KRXKEYSXQMFOTB-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC001254302472 1040155044 /nfs/dbraw/zinc/15/50/44/1040155044.db2.gz TWXVCLBYIACZSY-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C)CC(C)(C)OC ZINC001234609909 1040166885 /nfs/dbraw/zinc/16/68/85/1040166885.db2.gz UBZPGTAHBVMMQY-JTQLQIEISA-N -1 3 375.259 3.914 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2Cl)c1 ZINC001254430649 1040228393 /nfs/dbraw/zinc/22/83/93/1040228393.db2.gz BJDBCPUZWORGQP-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc4c(cn3)OCCC4)nc(=O)c2c1C ZINC001254459436 1040246933 /nfs/dbraw/zinc/24/69/33/1040246933.db2.gz IHHGICVBUDUHGM-SNVBAGLBSA-N -1 3 385.445 3.652 20 0 GHADHM CC(C)N1CC[C@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)C1 ZINC001234725238 1040255082 /nfs/dbraw/zinc/25/50/82/1040255082.db2.gz CEQYARYJFLCTCZ-HNNXBMFYSA-N -1 3 381.428 3.733 20 0 GHADHM COc1c([O-])cc2c(c1OC[C@@H]1CCO[C@@H]1C)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234757719 1040287259 /nfs/dbraw/zinc/28/72/59/1040287259.db2.gz AUTXHWSHUNTECM-XUWXXGDYSA-N -1 3 384.428 3.911 20 0 GHADHM COc1cc2ccccc2cc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462473598 1070282962 /nfs/dbraw/zinc/28/29/62/1070282962.db2.gz RNJYGSNKADUBTA-DYVFJYSZSA-N -1 3 380.410 3.737 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001255921140 1041408086 /nfs/dbraw/zinc/40/80/86/1041408086.db2.gz LDGBVEXUMSDZRA-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255921429 1041409720 /nfs/dbraw/zinc/40/97/20/1041409720.db2.gz QYYKNRVHWHUNIF-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1F ZINC001256103078 1041531509 /nfs/dbraw/zinc/53/15/09/1041531509.db2.gz WWJKYXCFNIHNGG-UHFFFAOYSA-N -1 3 384.791 3.752 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1)c1ccc(F)cc1F ZINC001256119531 1041552360 /nfs/dbraw/zinc/55/23/60/1041552360.db2.gz XYVDBZWWCKQAGG-SFHVURJKSA-N -1 3 381.444 3.801 20 0 GHADHM CCCOc1c(F)c(F)c(-c2ccc3c(c2)CS(=O)(=O)[N-]3)c(F)c1F ZINC001236326680 1041672225 /nfs/dbraw/zinc/67/22/25/1041672225.db2.gz JAEIUDMKIVGJMQ-UHFFFAOYSA-N -1 3 375.343 3.954 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1OC(F)(F)F)c1ccc(Cl)s1 ZINC001256387126 1041716119 /nfs/dbraw/zinc/71/61/19/1041716119.db2.gz ZLBQVSAIJGAYPB-UHFFFAOYSA-N -1 3 389.779 3.918 20 0 GHADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236697037 1041837914 /nfs/dbraw/zinc/83/79/14/1041837914.db2.gz BPUCQTBWQOKFMA-JSGCOSHPSA-N -1 3 399.329 3.890 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1sc(=O)[n-]c1Cl ZINC001237152505 1042066540 /nfs/dbraw/zinc/06/65/40/1042066540.db2.gz YYDLZLIRMHYBDT-XQQFMLRXSA-N -1 3 385.961 3.798 20 0 GHADHM O=c1[n-]c(Cl)c(CN2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)s1 ZINC001237158854 1042070518 /nfs/dbraw/zinc/07/05/18/1042070518.db2.gz OOJXIPTUJMVNTM-MVWJERBFSA-N -1 3 383.926 3.798 20 0 GHADHM CN(C[C@H]1CCCN(Cc2sc(=O)[n-]c2Cl)C1)C(=O)OC(C)(C)C ZINC001237162444 1042072822 /nfs/dbraw/zinc/07/28/22/1042072822.db2.gz URVFRFNWZGPYFH-LLVKDONJSA-N -1 3 375.922 3.581 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCN2)no1)c1ccc(Oc2ccccc2)cc1 ZINC001237549821 1042260175 /nfs/dbraw/zinc/26/01/75/1042260175.db2.gz QETZQVIFWXLODC-QGZVFWFLSA-N -1 3 385.445 3.692 20 0 GHADHM CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238234417 1042527276 /nfs/dbraw/zinc/52/72/76/1042527276.db2.gz JCIPCEITDUIUQP-HXUWFJFHSA-N -1 3 396.462 3.504 20 0 GHADHM O=S(=O)([N-][C@@H]1CNCc2ccsc21)c1cc(Cl)c(Cl)cc1Cl ZINC001238311640 1042552196 /nfs/dbraw/zinc/55/21/96/1042552196.db2.gz HSGWTHYOOSMBEC-LLVKDONJSA-N -1 3 397.736 3.831 20 0 GHADHM O=S(=O)([N-]Cc1ccc2[nH]ccc2c1)c1cccc(F)c1Br ZINC001238524263 1042628677 /nfs/dbraw/zinc/62/86/77/1042628677.db2.gz SMMGFELBUJGZFE-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccc(Br)cc2C1)c1ccc(Cl)s1 ZINC001256519381 1043444683 /nfs/dbraw/zinc/44/46/83/1043444683.db2.gz LNNQEMOGXNLELJ-LLVKDONJSA-N -1 3 392.727 3.610 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCCC2)cc1OC ZINC001257109367 1043852826 /nfs/dbraw/zinc/85/28/26/1043852826.db2.gz ALKKJTSTOBTYHZ-UHFFFAOYSA-N -1 3 394.468 3.634 20 0 GHADHM COc1cccc2sc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)nc21 ZINC001292754990 1043862837 /nfs/dbraw/zinc/86/28/37/1043862837.db2.gz VOLCQQIDTJUOJJ-UHFFFAOYSA-N -1 3 387.367 3.677 20 0 GHADHM Cc1ccc([C@H]2C[C@H]2c2nnc(C[N-]S(=O)(=O)c3cc(C)ccc3C)o2)cc1 ZINC001257269016 1043949589 /nfs/dbraw/zinc/94/95/89/1043949589.db2.gz PEJQNFGPTZLCJJ-QZTJIDSGSA-N -1 3 397.500 3.744 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC001257562381 1044045892 /nfs/dbraw/zinc/04/58/92/1044045892.db2.gz SLVYAPATRMUTMG-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2nnc(C3CCCC3)o2)c(O)c1)c1ccccc1 ZINC001257593367 1044076580 /nfs/dbraw/zinc/07/65/80/1044076580.db2.gz WDILPDUMMSKNDN-UHFFFAOYSA-N -1 3 385.445 3.901 20 0 GHADHM O=S(=O)([N-]CC1(c2ncccc2F)CC1)c1c(Cl)cccc1Cl ZINC001257791683 1044175280 /nfs/dbraw/zinc/17/52/80/1044175280.db2.gz ZYQBYZSAVZZIKA-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM COc1cccnc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC001257791498 1044175539 /nfs/dbraw/zinc/17/55/39/1044175539.db2.gz XDICTRGRDLSUBO-AWEZNQCLSA-N -1 3 387.288 3.827 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001258494540 1044581097 /nfs/dbraw/zinc/58/10/97/1044581097.db2.gz SKSFOZPIMJWIII-AWEZNQCLSA-N -1 3 388.320 3.507 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2Cl)c(OC)c1 ZINC001258958422 1044905869 /nfs/dbraw/zinc/90/58/69/1044905869.db2.gz GJLAIJPLDSHFIS-UHFFFAOYSA-N -1 3 392.260 3.820 20 0 GHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC001259051916 1044938250 /nfs/dbraw/zinc/93/82/50/1044938250.db2.gz ZAFDZGBFULGMKJ-QFIPXVFZSA-N -1 3 395.480 3.720 20 0 GHADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC001259051915 1044938287 /nfs/dbraw/zinc/93/82/87/1044938287.db2.gz ZAFDZGBFULGMKJ-JOCHJYFZSA-N -1 3 395.480 3.720 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC001259070883 1044947173 /nfs/dbraw/zinc/94/71/73/1044947173.db2.gz LWKLLYWXVNLHLW-UHFFFAOYSA-N -1 3 398.431 3.790 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)cc1 ZINC001259172637 1044992261 /nfs/dbraw/zinc/99/22/61/1044992261.db2.gz SCKPKUACLITGTD-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)c1 ZINC001259189674 1044998241 /nfs/dbraw/zinc/99/82/41/1044998241.db2.gz WQVPNTJRVCSSGN-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC001259210171 1045011625 /nfs/dbraw/zinc/01/16/25/1045011625.db2.gz YEQCVVOKLZHSGA-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(-c3ccccc3)c1)C(=O)N2 ZINC001259232205 1045028497 /nfs/dbraw/zinc/02/84/97/1045028497.db2.gz LQWMBCBTGUTFJS-FQEVSTJZSA-N -1 3 378.453 3.634 20 0 GHADHM CCOP(=O)(OCC)c1ccc([N-]S(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC001259265290 1045052262 /nfs/dbraw/zinc/05/22/62/1045052262.db2.gz KTGWRJNRPRAMAN-UHFFFAOYSA-N -1 3 397.433 3.828 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c([O-])c1 ZINC001295592542 1045061291 /nfs/dbraw/zinc/06/12/91/1045061291.db2.gz MRAWALKTDWKUCQ-KRWDZBQOSA-N -1 3 398.478 3.756 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)cc1 ZINC001259325121 1045077374 /nfs/dbraw/zinc/07/73/74/1045077374.db2.gz LTNXOWOYEGEMAR-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)(C)C)c1 ZINC001462883876 1070623865 /nfs/dbraw/zinc/62/38/65/1070623865.db2.gz AKHQKYWWMCACIW-SFHVURJKSA-N -1 3 393.480 3.986 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(C(F)(F)F)cc1F)c1ccc2c(c1)CCO2 ZINC001259356420 1045096950 /nfs/dbraw/zinc/09/69/50/1045096950.db2.gz AGUXZMFECNADDT-UHFFFAOYSA-N -1 3 379.306 3.719 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001295790447 1045139931 /nfs/dbraw/zinc/13/99/31/1045139931.db2.gz DNAMATQWIJIEPM-STQMWFEESA-N -1 3 390.505 3.982 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259430909 1045146950 /nfs/dbraw/zinc/14/69/50/1045146950.db2.gz KSYBWBLTCPDOPR-UHFFFAOYSA-N -1 3 391.779 3.529 20 0 GHADHM O=S(=O)([N-]CC1(CC2CCC2)CCOCC1)c1cccc(Cl)c1F ZINC001259473408 1045186112 /nfs/dbraw/zinc/18/61/12/1045186112.db2.gz NPJYTPQDLBISDY-UHFFFAOYSA-N -1 3 375.893 3.744 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)[n-]n1 ZINC001295912826 1045186687 /nfs/dbraw/zinc/18/66/87/1045186687.db2.gz MRTCKJDUSBTBPD-UHFFFAOYSA-N -1 3 377.444 3.627 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)n[n-]1 ZINC001295912826 1045186698 /nfs/dbraw/zinc/18/66/98/1045186698.db2.gz MRTCKJDUSBTBPD-UHFFFAOYSA-N -1 3 377.444 3.627 20 0 GHADHM COc1cccc(CC2([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)CCC2)c1 ZINC001259504842 1045209269 /nfs/dbraw/zinc/20/92/69/1045209269.db2.gz MZZJBSGWKDLTSE-UHFFFAOYSA-N -1 3 385.407 3.556 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccc(Cl)c1)c1ccc(Cl)cc1F ZINC001259513372 1045215149 /nfs/dbraw/zinc/21/51/49/1045215149.db2.gz IFYKUOIFNYDNNV-AWEZNQCLSA-N -1 3 378.252 3.535 20 0 GHADHM COc1cc(C)sc1C(=O)Nc1ccc(I)cc1[O-] ZINC001296283434 1045295764 /nfs/dbraw/zinc/29/57/64/1045295764.db2.gz PANDXRHTRPWCRG-UHFFFAOYSA-N -1 3 389.214 3.628 20 0 GHADHM Cc1ccccc1C[C@@H](CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001296455731 1045318782 /nfs/dbraw/zinc/31/87/82/1045318782.db2.gz RTFIOMUVTGOWCY-NRFANRHFSA-N -1 3 375.468 3.625 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccnnc3Cl)c1C)CC(C)(C)O2 ZINC001260244994 1045425243 /nfs/dbraw/zinc/42/52/43/1045425243.db2.gz NIRAJMAANIHMEG-UHFFFAOYSA-N -1 3 381.885 3.570 20 0 GHADHM O=c1cc(Cl)[nH]cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001260266130 1045432368 /nfs/dbraw/zinc/43/23/68/1045432368.db2.gz QRXZDPRAQTVLSF-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC001260371939 1045479256 /nfs/dbraw/zinc/47/92/56/1045479256.db2.gz BFEZQMCAIGVGHZ-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=S(=O)([N-]Cc1cnc2ccccc2c1)c1ccc(Br)cc1F ZINC001260380036 1045483371 /nfs/dbraw/zinc/48/33/71/1045483371.db2.gz JRDARXDHPDJPQY-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-]c1ccccc1Cl)c1ccccc1I ZINC001260405640 1045487727 /nfs/dbraw/zinc/48/77/27/1045487727.db2.gz NGYKQNCVUSZTDG-UHFFFAOYSA-N -1 3 393.633 3.745 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c1O ZINC001297625280 1045591559 /nfs/dbraw/zinc/59/15/59/1045591559.db2.gz CCDONRIRSBDQJJ-UHFFFAOYSA-N -1 3 390.754 3.879 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC001260653571 1045593972 /nfs/dbraw/zinc/59/39/72/1045593972.db2.gz DQLVWLIGXTVOEG-JTQLQIEISA-N -1 3 377.359 3.893 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)cc1F ZINC001260656679 1045595942 /nfs/dbraw/zinc/59/59/42/1045595942.db2.gz LVEHEAZALAEWNB-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM CCOc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1C ZINC001297771851 1045618192 /nfs/dbraw/zinc/61/81/92/1045618192.db2.gz MNSXSOWFIJHKQC-UHFFFAOYSA-N -1 3 382.869 3.671 20 0 GHADHM CCOC(=O)c1c([N-]S(=O)(=O)[C@@H](C)CC)c(C)cn1Cc1ccccc1 ZINC001260724247 1045629168 /nfs/dbraw/zinc/62/91/68/1045629168.db2.gz NQXIYNIORYPAOG-HNNXBMFYSA-N -1 3 378.494 3.562 20 0 GHADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc(C)c(NC(=O)c2ccccc2)cc1OC ZINC001260739630 1045633447 /nfs/dbraw/zinc/63/34/47/1045633447.db2.gz JYYFGGFOYGUXAE-CQSZACIVSA-N -1 3 376.478 3.796 20 0 GHADHM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001260744037 1045635990 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C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001462966077 1070696634 /nfs/dbraw/zinc/69/66/34/1070696634.db2.gz ZGGGIHNLVJWCQY-GFCCVEGCSA-N -1 3 385.316 3.723 20 0 GHADHM CC(C)c1ncc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC001261013090 1045833482 /nfs/dbraw/zinc/83/34/82/1045833482.db2.gz KAYWJCVLZPMQFM-UHFFFAOYSA-N -1 3 382.404 3.903 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cn1 ZINC001261013704 1045835151 /nfs/dbraw/zinc/83/51/51/1045835151.db2.gz GOMXCWWHTXSMRH-UHFFFAOYSA-N -1 3 394.365 3.635 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(Cl)ccc21)c1ccc(F)cc1C(F)(F)F ZINC001261014247 1045838242 /nfs/dbraw/zinc/83/82/42/1045838242.db2.gz UZRWMKCIMWUWRF-LBPRGKRZSA-N -1 3 395.761 3.910 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2ccc(C)cc21 ZINC001261065985 1045884834 /nfs/dbraw/zinc/88/48/34/1045884834.db2.gz GAKYXFPDGJIXRB-ZDUSSCGKSA-N -1 3 399.921 3.852 20 0 GHADHM CCN1Cc2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc2C1=O ZINC001261081092 1045896800 /nfs/dbraw/zinc/89/68/00/1045896800.db2.gz PNLWTNROIFVQTE-UHFFFAOYSA-N -1 3 399.299 3.911 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nc1 ZINC001300831664 1046200167 /nfs/dbraw/zinc/20/01/67/1046200167.db2.gz FCXBTNIEVIIUDM-UHFFFAOYSA-N -1 3 390.509 3.901 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)c([O-])c1 ZINC001300929795 1046248189 /nfs/dbraw/zinc/24/81/89/1046248189.db2.gz ANDOGBQBOIYFJB-UHFFFAOYSA-N -1 3 390.277 3.622 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccc(C(F)(F)F)c(Cl)n3)C2)n1 ZINC001262705786 1046311719 /nfs/dbraw/zinc/31/17/19/1046311719.db2.gz SNMIFMMGPKMPQX-SNVBAGLBSA-N -1 3 387.793 3.639 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccc(C(F)(F)F)c(Cl)n3)C2)n1 ZINC001262705785 1046311942 /nfs/dbraw/zinc/31/19/42/1046311942.db2.gz SNMIFMMGPKMPQX-JTQLQIEISA-N -1 3 387.793 3.639 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c(F)cc1Br ZINC001463062878 1070767460 /nfs/dbraw/zinc/76/74/60/1070767460.db2.gz FARVHDILQOUJFC-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CC(=O)c1ccc2c(c1)CN(c1nnc(CCc3cccc(Cl)c3[O-])n1C)C2 ZINC001262845000 1046379638 /nfs/dbraw/zinc/37/96/38/1046379638.db2.gz LTHGGRDNNAIMNL-UHFFFAOYSA-N -1 3 396.878 3.682 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cccc(OC(F)(F)F)c1F ZINC001463093255 1070787515 /nfs/dbraw/zinc/78/75/15/1070787515.db2.gz RQGRCDKADKWPFD-GFCCVEGCSA-N -1 3 389.370 3.733 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)c(-c2ccccc2)s1 ZINC001463129266 1070831393 /nfs/dbraw/zinc/83/13/93/1070831393.db2.gz AYCGESFLNRYXOR-NSHDSACASA-N -1 3 377.491 3.763 20 0 GHADHM O=C(C=C(C1CC1)C1CC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302620198 1047009183 /nfs/dbraw/zinc/00/91/83/1047009183.db2.gz GUDKKZUCKYVOHN-HNNXBMFYSA-N -1 3 392.421 3.932 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1cccc(F)c1 ZINC001264283608 1047296275 /nfs/dbraw/zinc/29/62/75/1047296275.db2.gz KGHTXBBFGILYHR-QGZVFWFLSA-N -1 3 389.377 3.565 20 0 GHADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001303558400 1047429061 /nfs/dbraw/zinc/42/90/61/1047429061.db2.gz ZIMITKDYRDEAFB-INIZCTEOSA-N -1 3 376.497 3.987 20 0 GHADHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC001264921265 1047512060 /nfs/dbraw/zinc/51/20/60/1047512060.db2.gz GKSOWXPVLIDKCV-SOFGYWHQSA-N -1 3 389.820 3.890 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[n-]n1 ZINC001304100922 1047587233 /nfs/dbraw/zinc/58/72/33/1047587233.db2.gz IPVNNWCULUBNCR-UHFFFAOYSA-N -1 3 388.424 3.574 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)n[n-]1 ZINC001304100922 1047587240 /nfs/dbraw/zinc/58/72/40/1047587240.db2.gz IPVNNWCULUBNCR-UHFFFAOYSA-N -1 3 388.424 3.574 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131549 1047595241 /nfs/dbraw/zinc/59/52/41/1047595241.db2.gz JPQRELJPPKMYOI-BXUZGUMPSA-N -1 3 382.386 3.701 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001304179663 1047607362 /nfs/dbraw/zinc/60/73/62/1047607362.db2.gz QFVYULZNYSINKO-OPAMFIHVSA-N -1 3 388.508 3.864 20 0 GHADHM O=C(Nc1c(F)cc(Br)cc1F)c1c[n-]c2ccccc2c1=O ZINC001265487295 1047617798 /nfs/dbraw/zinc/61/77/98/1047617798.db2.gz PYUBCQAQEYCKQD-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1c(F)cccc1F ZINC001304565435 1047714167 /nfs/dbraw/zinc/71/41/67/1047714167.db2.gz HNFYFRSIKGDIHU-LBPRGKRZSA-N -1 3 385.370 3.787 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1c(F)cccc1F ZINC001304565435 1047714170 /nfs/dbraw/zinc/71/41/70/1047714170.db2.gz HNFYFRSIKGDIHU-LBPRGKRZSA-N -1 3 385.370 3.787 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C2(c3ccccc3)CCC2)[n-]n1 ZINC001304565262 1047714265 /nfs/dbraw/zinc/71/42/65/1047714265.db2.gz DTSIQRYQMIRXGS-UHFFFAOYSA-N -1 3 375.428 3.827 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C2(c3ccccc3)CCC2)n[n-]1 ZINC001304565262 1047714270 /nfs/dbraw/zinc/71/42/70/1047714270.db2.gz DTSIQRYQMIRXGS-UHFFFAOYSA-N -1 3 375.428 3.827 20 0 GHADHM CC(C)NC(=O)N1CCC[C@@]2(CCCN(Cc3ccc(Cl)c([O-])c3)C2)C1 ZINC001279314632 1047764626 /nfs/dbraw/zinc/76/46/26/1047764626.db2.gz YEXDSXYCXBEKAC-HXUWFJFHSA-N -1 3 379.932 3.842 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)c(F)cc1F ZINC001463266787 1070950610 /nfs/dbraw/zinc/95/06/10/1070950610.db2.gz IKCGAYSVUZNUKZ-UHFFFAOYSA-N -1 3 384.835 3.929 20 0 GHADHM CS[C@H](C)CCN1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001280223895 1048132378 /nfs/dbraw/zinc/13/23/78/1048132378.db2.gz OAALXQSJBQLSJQ-FMTVUPSXSA-N -1 3 377.535 3.546 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3ccc(F)cc3F)nc21 ZINC001463314285 1070981940 /nfs/dbraw/zinc/98/19/40/1070981940.db2.gz PJBKCMOIOYRYBB-UHFFFAOYSA-N -1 3 387.386 3.934 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H](F)C1 ZINC001306027095 1048366406 /nfs/dbraw/zinc/36/64/06/1048366406.db2.gz IYMQRQLZIQYGAO-UONOGXRCSA-N -1 3 394.468 3.684 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC001306263912 1048525901 /nfs/dbraw/zinc/52/59/01/1048525901.db2.gz SDHYOPZSXFKHHI-UHFFFAOYSA-N -1 3 377.444 3.571 20 0 GHADHM Cc1ccc(NC(=O)c2cc(F)c[nH]2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001306282218 1048541214 /nfs/dbraw/zinc/54/12/14/1048541214.db2.gz NKXBKBOMZQYCIX-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001306878956 1048940201 /nfs/dbraw/zinc/94/02/01/1048940201.db2.gz KJPJMUKSGUYALE-ZDUSSCGKSA-N -1 3 394.290 3.867 20 0 GHADHM CCc1cc2c(nc(C)nc2N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC001307152567 1049106875 /nfs/dbraw/zinc/10/68/75/1049106875.db2.gz GEPCGBJQEHYPCS-WDEREUQCSA-N -1 3 385.493 3.738 20 0 GHADHM CC(C)c1ccc(CN2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)cc1 ZINC001307789355 1049593201 /nfs/dbraw/zinc/59/32/01/1049593201.db2.gz HGNKNRSCEMAXBX-UHFFFAOYSA-N -1 3 392.499 3.940 20 0 GHADHM COc1ccc([C@@H](CNC(=O)c2ncc3ccccc3c2[O-])N2CCCC2)cc1 ZINC001290006804 1049708010 /nfs/dbraw/zinc/70/80/10/1049708010.db2.gz ZNPCQSKMKCZCSU-HXUWFJFHSA-N -1 3 391.471 3.516 20 0 GHADHM Cc1nc2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)cc2s1 ZINC001290043033 1049717728 /nfs/dbraw/zinc/71/77/28/1049717728.db2.gz REFMSCGBFHKQCK-UHFFFAOYSA-N -1 3 395.893 3.882 20 0 GHADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)[C@H]1CCCc2ccccc21 ZINC001290595436 1049884520 /nfs/dbraw/zinc/88/45/20/1049884520.db2.gz ZKTPBBZVMFSELR-SFHVURJKSA-N -1 3 392.908 3.861 20 0 GHADHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)[C@@H]1CCCc2ccccc21 ZINC001290595435 1049884630 /nfs/dbraw/zinc/88/46/30/1049884630.db2.gz ZKTPBBZVMFSELR-GOSISDBHSA-N -1 3 392.908 3.861 20 0 GHADHM Cc1cc(CNCc2ccc([O-])c(F)c2F)ccc1I ZINC001308729090 1050073811 /nfs/dbraw/zinc/07/38/11/1050073811.db2.gz WUBBKILOLTZVAJ-UHFFFAOYSA-N -1 3 389.183 3.873 20 0 GHADHM CCN(Cc1cc(Cl)c(OC)cc1Cl)Cc1c([O-])c(C)ncc1CO ZINC001308948029 1050209007 /nfs/dbraw/zinc/20/90/07/1050209007.db2.gz CKCILFZDXOEQLM-UHFFFAOYSA-N -1 3 385.291 3.925 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2sc(C)c(CC)c2C(=O)OCC)s1 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WGCSQIKQHLCFIQ-UHFFFAOYSA-N -1 3 390.324 3.620 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)s1 ZINC001309323052 1050592096 /nfs/dbraw/zinc/59/20/96/1050592096.db2.gz WYWJQRXIAIAHNE-LBPRGKRZSA-N -1 3 392.477 3.997 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001309349750 1050623551 /nfs/dbraw/zinc/62/35/51/1050623551.db2.gz SEQVKVAZNXXOEF-LJQANCHMSA-N -1 3 389.517 3.573 20 0 GHADHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001309449307 1050727782 /nfs/dbraw/zinc/72/77/82/1050727782.db2.gz CYHSDHYECBUQJX-DZGCQCFKSA-N -1 3 387.288 3.622 20 0 GHADHM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001309456020 1050733096 /nfs/dbraw/zinc/73/30/96/1050733096.db2.gz FKOHHNHVGHNHAL-AWEZNQCLSA-N -1 3 388.514 3.728 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(OCc3ccccc3)c2)s1 ZINC001309481959 1050753490 /nfs/dbraw/zinc/75/34/90/1050753490.db2.gz ULDTXOCPZWFVHI-UHFFFAOYSA-N -1 3 388.514 3.763 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC001309494998 1050763559 /nfs/dbraw/zinc/76/35/59/1050763559.db2.gz WEYXJGPGAVDMNU-UHFFFAOYSA-N -1 3 385.308 3.779 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C)c(-c2ccccc2)s1 ZINC001309518115 1050777970 /nfs/dbraw/zinc/77/79/70/1050777970.db2.gz GQLGFHVZJNBBPW-IAGOWNOFSA-N -1 3 396.578 3.686 20 0 GHADHM CSCC1CCC([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC001309527308 1050784442 /nfs/dbraw/zinc/78/44/42/1050784442.db2.gz PXKIPGILEBVJIM-UHFFFAOYSA-N -1 3 391.971 3.545 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C)cnc2Cl)c2ccco2)cc1 ZINC001309590620 1050841547 /nfs/dbraw/zinc/84/15/47/1050841547.db2.gz IBMVRAWQGZNOBH-QGZVFWFLSA-N -1 3 392.864 3.713 20 0 GHADHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001309676601 1050914609 /nfs/dbraw/zinc/91/46/09/1050914609.db2.gz ZSJYGZPYRRDMER-JTQLQIEISA-N -1 3 384.851 3.510 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2cc(Br)ccc2C)c1 ZINC001309690885 1050922184 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GHADHM COc1ccccc1C[C@@H](C)CC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001331066433 1051182096 /nfs/dbraw/zinc/18/20/96/1051182096.db2.gz LWZWZFBJWKBDLW-CQSZACIVSA-N -1 3 382.416 3.763 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001310318289 1051286692 /nfs/dbraw/zinc/28/66/92/1051286692.db2.gz CJAFMKOIYCKBRW-SSDOTTSWSA-N -1 3 381.280 3.811 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1F ZINC001331750312 1051367592 /nfs/dbraw/zinc/36/75/92/1051367592.db2.gz YJVIFLABYKJWLM-UHFFFAOYSA-N -1 3 382.486 3.822 20 0 GHADHM C[C@H]1CCC(F)(F)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001336774089 1052328267 /nfs/dbraw/zinc/32/82/67/1052328267.db2.gz FSNXBGDKQBNQFM-VIFPVBQESA-N -1 3 385.208 3.550 20 0 GHADHM CC(C)c1oncc1[N-]C(=O)c1ncc(Br)cc1Br ZINC001337409934 1052467009 /nfs/dbraw/zinc/46/70/09/1052467009.db2.gz PCNJWEHXMBXVFM-UHFFFAOYSA-N -1 3 389.047 3.970 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001312563232 1052793144 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ZINC001340022055 1059625769 /nfs/dbraw/zinc/62/57/69/1059625769.db2.gz VVQUZXGJGRPQKA-SFHVURJKSA-N -1 3 378.480 3.727 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2csnn2)cc1 ZINC001445909642 1059652603 /nfs/dbraw/zinc/65/26/03/1059652603.db2.gz HYOQFBMQYYVNDF-UHFFFAOYSA-N -1 3 390.262 3.603 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c([O-])c1 ZINC001447441949 1059966341 /nfs/dbraw/zinc/96/63/41/1059966341.db2.gz ADHPXZRPRUKART-MRXNPFEDSA-N -1 3 380.488 3.577 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(I)cc1[O-] ZINC001447623434 1059989643 /nfs/dbraw/zinc/98/96/43/1059989643.db2.gz ARSMJUQDSQEPAU-SUMWQHHRSA-N -1 3 393.224 3.913 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H]1Oc1ccccc1 ZINC001448162965 1060123553 /nfs/dbraw/zinc/12/35/53/1060123553.db2.gz NXRORDJBOUINBB-ILZDJORESA-N -1 3 383.469 3.962 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001340890748 1060227983 /nfs/dbraw/zinc/22/79/83/1060227983.db2.gz LDCPICYSKMWLPT-INIZCTEOSA-N -1 3 384.871 3.764 20 0 GHADHM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001448615471 1060228884 /nfs/dbraw/zinc/22/88/84/1060228884.db2.gz VVTGWBBHYBOHAJ-UHFFFAOYSA-N -1 3 392.253 3.809 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1OC ZINC001452115301 1060902300 /nfs/dbraw/zinc/90/23/00/1060902300.db2.gz QEZYXQPSRLLNNX-UHFFFAOYSA-N -1 3 389.452 3.805 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1OC ZINC001452115301 1060902305 /nfs/dbraw/zinc/90/23/05/1060902305.db2.gz QEZYXQPSRLLNNX-UHFFFAOYSA-N -1 3 389.452 3.805 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001452614438 1060973832 /nfs/dbraw/zinc/97/38/32/1060973832.db2.gz PHSFTUOCIUERGO-MSOLQXFVSA-N -1 3 390.277 3.883 20 0 GHADHM CC(C)c1ccc(-c2nc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cs2)cc1 ZINC001452721863 1060992757 /nfs/dbraw/zinc/99/27/57/1060992757.db2.gz KFCRHCXYEWJFJB-UHFFFAOYSA-N -1 3 386.502 3.648 20 0 GHADHM C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001453413703 1061125147 /nfs/dbraw/zinc/12/51/47/1061125147.db2.gz FSBOKOWNXNFVIU-QMHKHESXSA-N -1 3 394.471 3.797 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3cc(NC(C)=O)c(F)cc3F)on2)c1 ZINC001434921827 1062114892 /nfs/dbraw/zinc/11/48/92/1062114892.db2.gz XSCBJEMDPNXKPW-UHFFFAOYSA-N -1 3 387.342 3.839 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001455446612 1062154012 /nfs/dbraw/zinc/15/40/12/1062154012.db2.gz HBDRSXNPLGQXGG-JOCHJYFZSA-N -1 3 390.458 3.909 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3cc(C)cc(C)c3C)nc21 ZINC001435632939 1062796764 /nfs/dbraw/zinc/79/67/64/1062796764.db2.gz RMSOUOFUWZFQIJ-UHFFFAOYSA-N -1 3 381.432 3.682 20 0 GHADHM COc1nccc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1 ZINC001348079006 1062909651 /nfs/dbraw/zinc/90/96/51/1062909651.db2.gz QEPUPBMGBXGPIU-UHFFFAOYSA-N -1 3 393.881 3.535 20 0 GHADHM O=C(N[C@H](c1ccncc1)C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001456900886 1062912913 /nfs/dbraw/zinc/91/29/13/1062912913.db2.gz OXMDLSYUFFCVJI-SFHVURJKSA-N -1 3 398.260 3.567 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc4ccccc4n3)nc21 ZINC001456992811 1062941104 /nfs/dbraw/zinc/94/11/04/1062941104.db2.gz MSFKKSPEUXQKDE-UHFFFAOYSA-N -1 3 388.427 3.859 20 0 GHADHM CC(=O)c1cccc(OCC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1 ZINC001457161673 1062993123 /nfs/dbraw/zinc/99/31/23/1062993123.db2.gz MYBOFLRMSIOLAQ-UHFFFAOYSA-N -1 3 396.472 3.626 20 0 GHADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nc(-c2cccnc2)ns1 ZINC001458070172 1063543155 /nfs/dbraw/zinc/54/31/55/1063543155.db2.gz VAPUPXJIVVQZOX-UHFFFAOYSA-N -1 3 380.458 3.679 20 0 GHADHM CC(C)c1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)nn1-c1ccccc1 ZINC001436650560 1063594259 /nfs/dbraw/zinc/59/42/59/1063594259.db2.gz YHJKFEQJHFBCMK-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)nn1-c1ccccc1 ZINC001436650560 1063594269 /nfs/dbraw/zinc/59/42/69/1063594269.db2.gz YHJKFEQJHFBCMK-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncnc(C)c3C)c2)cc1 ZINC001458181772 1063635448 /nfs/dbraw/zinc/63/54/48/1063635448.db2.gz KDPSVSHZKBRJKO-UHFFFAOYSA-N -1 3 398.488 3.515 20 0 GHADHM O=C(NCc1ccccc1)c1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001349319192 1063648918 /nfs/dbraw/zinc/64/89/18/1063648918.db2.gz WQFCXFNTHOWKTL-UHFFFAOYSA-N -1 3 397.434 3.710 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC=CCCC1)C(F)(F)F ZINC001436917077 1063706064 /nfs/dbraw/zinc/70/60/64/1063706064.db2.gz ZJPGKIUMFNWHCE-GDBMZVCRSA-N -1 3 380.410 3.759 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)c1 ZINC001349751705 1063902030 /nfs/dbraw/zinc/90/20/30/1063902030.db2.gz BCHAQEHKKKCZQN-UHFFFAOYSA-N -1 3 379.453 3.739 20 0 GHADHM COc1ccc(-n2ccnc2SCc2nnc(-c3ccccc3[O-])o2)cc1 ZINC001458856649 1063948746 /nfs/dbraw/zinc/94/87/46/1063948746.db2.gz FQTBUKORKLPTGH-UHFFFAOYSA-N -1 3 380.429 3.929 20 0 GHADHM Cc1cc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC001438033914 1063970344 /nfs/dbraw/zinc/97/03/44/1063970344.db2.gz VSYQHRCVGKKWFF-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC001438033914 1063970348 /nfs/dbraw/zinc/97/03/48/1063970348.db2.gz VSYQHRCVGKKWFF-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM COC(=O)C=Cc1ccc(OC)c(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001459065202 1063991405 /nfs/dbraw/zinc/99/14/05/1063991405.db2.gz XLHDWTRJTJMKFL-PKNBQFBNSA-N -1 3 392.411 3.623 20 0 GHADHM CCOC(=O)c1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3F)no2)oc1C ZINC001459222736 1064027129 /nfs/dbraw/zinc/02/71/29/1064027129.db2.gz DTZQNKQLKDTEKC-UHFFFAOYSA-N -1 3 393.758 3.860 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)s1 ZINC001350270940 1064042865 /nfs/dbraw/zinc/04/28/65/1064042865.db2.gz DFSOPNBFVGCMEG-UHFFFAOYSA-N -1 3 398.414 3.893 20 0 GHADHM CCCCC[C@@H](CC)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001438532660 1064064601 /nfs/dbraw/zinc/06/46/01/1064064601.db2.gz SSAHALVSZYSDIF-GFCCVEGCSA-N -1 3 375.560 3.765 20 0 GHADHM Cc1nnc([N-]C(=O)c2cnc(-c3ccccc3Br)s2)s1 ZINC001350787908 1064188829 /nfs/dbraw/zinc/18/88/29/1064188829.db2.gz XIMASDUIWVTWMP-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM CCCN(CC(=O)OC(C)(C)C)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001459916538 1064270065 /nfs/dbraw/zinc/27/00/65/1064270065.db2.gz MSZXNCBTAKZDBM-UHFFFAOYSA-N -1 3 375.465 3.615 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@H]2C)s1 ZINC001463472537 1064385114 /nfs/dbraw/zinc/38/51/14/1064385114.db2.gz NGBZNWXNBAMSOD-PXAZEXFGSA-N -1 3 379.503 3.527 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1csnc1-c1ccccc1 ZINC001463518639 1064429110 /nfs/dbraw/zinc/42/91/10/1064429110.db2.gz JTHIYVBOYVNSRL-MRXNPFEDSA-N -1 3 392.546 3.970 20 0 GHADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001463599523 1064490330 /nfs/dbraw/zinc/49/03/30/1064490330.db2.gz RJYQDIINMMBVHO-UHFFFAOYSA-N -1 3 390.814 3.978 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c(-c2ccccc2)s1 ZINC001463602656 1064492283 /nfs/dbraw/zinc/49/22/83/1064492283.db2.gz JHMGXHHFUSJIHL-HNNXBMFYSA-N -1 3 382.551 3.584 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCN1C1CCCCC1)c1c(Cl)ccc(F)c1F ZINC001463613380 1064501981 /nfs/dbraw/zinc/50/19/81/1064501981.db2.gz NPLHHLGFPZHFKX-CYBMUJFWSA-N -1 3 392.899 3.694 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1c2ncsc2ccc1Cl ZINC001463689274 1064551766 /nfs/dbraw/zinc/55/17/66/1064551766.db2.gz CUQVKNATRICLOR-UHFFFAOYSA-N -1 3 377.878 3.910 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(F)nc1F)c1cccc(C(F)(F)F)c1 ZINC001463722652 1064570889 /nfs/dbraw/zinc/57/08/89/1064570889.db2.gz JBRWNNKEZGNJJI-UHFFFAOYSA-N -1 3 380.338 3.592 20 0 GHADHM Cc1nc([C@](C)([N-]C(=O)C(F)(F)c2ccccc2OC(C)C)C2CC2)no1 ZINC000847069679 1064652936 /nfs/dbraw/zinc/65/29/36/1064652936.db2.gz NKKNHKFHEKLLBN-GOSISDBHSA-N -1 3 379.407 3.699 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c([O-])c1 ZINC001463885490 1064695441 /nfs/dbraw/zinc/69/54/41/1064695441.db2.gz JDDYXZWFLHCTAP-FQEVSTJZSA-N -1 3 388.895 3.987 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C1CCCCCC1 ZINC001463972476 1064745492 /nfs/dbraw/zinc/74/54/92/1064745492.db2.gz CWUNRJUBVNYGRE-QGZVFWFLSA-N -1 3 387.929 3.662 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C1CCCCCC1 ZINC001463972167 1064745618 /nfs/dbraw/zinc/74/56/18/1064745618.db2.gz CRLJZAPKYIGZHY-GDBMZVCRSA-N -1 3 395.512 3.633 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001464393519 1064984930 /nfs/dbraw/zinc/98/49/30/1064984930.db2.gz YYGDSAITWWPJDQ-GOSISDBHSA-N -1 3 392.908 3.997 20 0 GHADHM COc1nsc(OC)c1C(=O)[N-]c1ncc(Cc2ccc(F)cc2F)s1 ZINC001464415766 1064996086 /nfs/dbraw/zinc/99/60/86/1064996086.db2.gz IPPUXPHBDOLECU-UHFFFAOYSA-N -1 3 397.428 3.738 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C(F)(F)F)c1Cl ZINC001464620643 1065116520 /nfs/dbraw/zinc/11/65/20/1065116520.db2.gz WIMNHPGLRPDXOO-ZDUSSCGKSA-N -1 3 393.814 3.679 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001464780509 1065207483 /nfs/dbraw/zinc/20/74/83/1065207483.db2.gz POLKKTAJGSEFMX-QMMMGPOBSA-N -1 3 392.777 3.858 20 0 GHADHM CCCCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(C)(C)C ZINC001465110189 1065395646 /nfs/dbraw/zinc/39/56/46/1065395646.db2.gz SOKPGPPDJFUPLL-QGZVFWFLSA-N -1 3 389.471 3.599 20 0 GHADHM CCCCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(C)(C)C ZINC001465110189 1065395655 /nfs/dbraw/zinc/39/56/55/1065395655.db2.gz SOKPGPPDJFUPLL-QGZVFWFLSA-N -1 3 389.471 3.599 20 0 GHADHM CCCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(C)(C)C ZINC001465110188 1065396072 /nfs/dbraw/zinc/39/60/72/1065396072.db2.gz SOKPGPPDJFUPLL-KRWDZBQOSA-N -1 3 389.471 3.599 20 0 GHADHM CCCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(C)(C)C ZINC001465110188 1065396089 /nfs/dbraw/zinc/39/60/89/1065396089.db2.gz SOKPGPPDJFUPLL-KRWDZBQOSA-N -1 3 389.471 3.599 20 0 GHADHM CCc1ccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c([O-])c1 ZINC001465366906 1065569426 /nfs/dbraw/zinc/56/94/26/1065569426.db2.gz NDAAFFMIAIIPPO-UHFFFAOYSA-N -1 3 388.773 3.831 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2nc(-c3ccccc3)oc2C2CC2)n1 ZINC001300179824 1065580374 /nfs/dbraw/zinc/58/03/74/1065580374.db2.gz MSSJFANWYXPVNP-UHFFFAOYSA-N -1 3 378.432 3.688 20 0 GHADHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001300196111 1065640307 /nfs/dbraw/zinc/64/03/07/1065640307.db2.gz YJXDOAJAQXKSOG-INIZCTEOSA-N -1 3 389.455 3.593 20 0 GHADHM CCC(CC)c1cc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)on1 ZINC001465485157 1065656571 /nfs/dbraw/zinc/65/65/71/1065656571.db2.gz UXZDOLXQCFUZAC-UHFFFAOYSA-N -1 3 375.375 3.628 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001465700071 1065797190 /nfs/dbraw/zinc/79/71/90/1065797190.db2.gz LIUMMFCXHBUUMV-UHFFFAOYSA-N -1 3 392.864 3.730 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCCC(=O)OC(C)(C)C)c2)n1 ZINC000847651931 1065851027 /nfs/dbraw/zinc/85/10/27/1065851027.db2.gz IJDPDMAKIKYPHS-UHFFFAOYSA-N -1 3 386.448 3.965 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(F)ccc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001465883084 1065909027 /nfs/dbraw/zinc/90/90/27/1065909027.db2.gz JCOXXKAUYQYMEH-RXMQYKEDSA-N -1 3 396.142 3.608 20 0 GHADHM CCc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)sc1-c1ccccc1 ZINC001465978363 1065944023 /nfs/dbraw/zinc/94/40/23/1065944023.db2.gz LEIFOKXDDLPHPG-UHFFFAOYSA-N -1 3 394.496 3.843 20 0 GHADHM Cc1ccc2[nH]c(-c3ccccc3NC(=O)Cc3c(C)nc(C)[n-]c3=O)nc2c1 ZINC001300312445 1065970846 /nfs/dbraw/zinc/97/08/46/1065970846.db2.gz XAPYUYDJMGVVAJ-UHFFFAOYSA-N -1 3 387.443 3.832 20 0 GHADHM Cc1ccc2nc(-c3ccccc3NC(=O)Cc3c(C)nc(C)[n-]c3=O)[nH]c2c1 ZINC001300312445 1065970853 /nfs/dbraw/zinc/97/08/53/1065970853.db2.gz XAPYUYDJMGVVAJ-UHFFFAOYSA-N -1 3 387.443 3.832 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cc(Cl)ccc1OC(F)F ZINC001466524587 1066179375 /nfs/dbraw/zinc/17/93/75/1066179375.db2.gz XEPPGGFYZIUNFW-MRVPVSSYSA-N -1 3 385.750 3.867 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001357311404 1067041883 /nfs/dbraw/zinc/04/18/83/1067041883.db2.gz BKXQVWBHANOIEX-GOSISDBHSA-N -1 3 397.479 3.715 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOc3ccc(Br)cc3C2)c1 ZINC001467462631 1067309523 /nfs/dbraw/zinc/30/95/23/1067309523.db2.gz VVRCEBSFDFKKFN-UHFFFAOYSA-N -1 3 394.290 3.911 20 0 GHADHM COC[C@H](C)Nc1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001467615820 1067385807 /nfs/dbraw/zinc/38/58/07/1067385807.db2.gz ZODSHBQJSVCDQA-NSHDSACASA-N -1 3 379.254 3.854 20 0 GHADHM CO[C@@H]1CCOc2c(NC(=O)c3cc([O-])cc(Br)c3)cccc21 ZINC001467661745 1067405293 /nfs/dbraw/zinc/40/52/93/1067405293.db2.gz QBVFPZSCHRJHJI-OAHLLOKOSA-N -1 3 378.222 3.877 20 0 GHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001358188109 1067433334 /nfs/dbraw/zinc/43/33/34/1067433334.db2.gz OSAZHUIXQFBKCZ-QAPCUYQASA-N -1 3 398.544 3.847 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cccc(Br)n1 ZINC001468425824 1067727681 /nfs/dbraw/zinc/72/76/81/1067727681.db2.gz OPCSPOKHZYNUNR-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM CCOc1ncc(C)cc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001468450896 1067736198 /nfs/dbraw/zinc/73/61/98/1067736198.db2.gz LFTQWLUBRSCCQL-UHFFFAOYSA-N -1 3 378.454 3.845 20 0 GHADHM O=C1[N-]C(=O)C(=CNC(CCC(F)(F)F)CCC(F)(F)F)c2ccccc21 ZINC000849175040 1067753572 /nfs/dbraw/zinc/75/35/72/1067753572.db2.gz NTQROVISYHTQLE-UKTHLTGXSA-N -1 3 394.315 3.941 20 0 GHADHM CCCc1nc(C)c(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)o1 ZINC001468662081 1067812226 /nfs/dbraw/zinc/81/22/26/1067812226.db2.gz WDVHLHIDOJNROQ-UHFFFAOYSA-N -1 3 380.470 3.669 20 0 GHADHM CC(C)C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001469495500 1068191280 /nfs/dbraw/zinc/19/12/80/1068191280.db2.gz GBGVVOXTDSCXSW-USXIJHARSA-N -1 3 399.457 3.667 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC001469636094 1068274642 /nfs/dbraw/zinc/27/46/42/1068274642.db2.gz AJLDMRNWVKPDMG-UHFFFAOYSA-N -1 3 378.454 3.594 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001469718730 1068335606 /nfs/dbraw/zinc/33/56/06/1068335606.db2.gz DHSAMNSCQAPNAW-UHFFFAOYSA-N -1 3 389.839 3.860 20 0 GHADHM COCc1csc([N-]C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)n1 ZINC001360518016 1068542166 /nfs/dbraw/zinc/54/21/66/1068542166.db2.gz YIEMQPAZTSIRSF-UHFFFAOYSA-N -1 3 379.825 3.859 20 0 GHADHM O=C([N-]N1Cc2ccc(Br)cc2C1=O)c1cc(F)cc2ccoc21 ZINC001470236109 1068639894 /nfs/dbraw/zinc/63/98/94/1068639894.db2.gz FMCBIYIYVZSHQR-UHFFFAOYSA-N -1 3 389.180 3.635 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCCCC2)ccc1F ZINC001460622954 1069037652 /nfs/dbraw/zinc/03/76/52/1069037652.db2.gz JPRBPFSQSKRVHU-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc(C(=O)OC(C)(C)C)c1 ZINC001470698703 1072690804 /nfs/dbraw/zinc/69/08/04/1072690804.db2.gz ALLCQPXNSBHNRV-UHFFFAOYSA-N -1 3 397.475 3.643 20 0 GHADHM COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC001470893496 1072797187 /nfs/dbraw/zinc/79/71/87/1072797187.db2.gz MQELGWZSXGHJFC-JKSUJKDBSA-N -1 3 394.402 3.504 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCc4cc(Cl)ccc43)c(=O)c2c(OC)c1 ZINC001471050190 1072904584 /nfs/dbraw/zinc/90/45/84/1072904584.db2.gz JNVUNGBNPHEHDX-INIZCTEOSA-N -1 3 398.846 3.616 20 0 GHADHM COc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1C(=O)c1ccccc1 ZINC001471443632 1073078097 /nfs/dbraw/zinc/07/80/97/1073078097.db2.gz PNHQKDQBFTZIBM-UHFFFAOYSA-N -1 3 390.374 3.589 20 0 GHADHM CCC[C@H](C)CCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001471610971 1073157978 /nfs/dbraw/zinc/15/79/78/1073157978.db2.gz NLKJQTJZASZBRE-ZDUSSCGKSA-N -1 3 383.448 3.549 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1CC=CC1 ZINC001471761266 1073212119 /nfs/dbraw/zinc/21/21/19/1073212119.db2.gz GBADVSKVAGJQLQ-OAQYLSRUSA-N -1 3 378.472 3.726 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cs1 ZINC001472109192 1073336727 /nfs/dbraw/zinc/33/67/27/1073336727.db2.gz JDMJYPOMILJYBS-VIFPVBQESA-N -1 3 381.383 3.746 20 0 GHADHM Cc1nc(-c2ccc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)s2)cs1 ZINC001472112286 1073338013 /nfs/dbraw/zinc/33/80/13/1073338013.db2.gz ZZUCLUYLCQOHQN-ZCFIWIBFSA-N -1 3 387.412 3.808 20 0 GHADHM COC(=O)c1cc(NC(=O)CCSc2cccc(Cl)c2)c([O-])c(OC)c1 ZINC001472229191 1073376086 /nfs/dbraw/zinc/37/60/86/1073376086.db2.gz BFVSNDDQXQYRLL-UHFFFAOYSA-N -1 3 395.864 3.962 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1CCCc2c(O)cccc21 ZINC001472242316 1073381445 /nfs/dbraw/zinc/38/14/45/1073381445.db2.gz IJJPXNWALRJQPY-QGZVFWFLSA-N -1 3 391.427 3.531 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1CCCc2c(O)cccc21 ZINC001472242316 1073381447 /nfs/dbraw/zinc/38/14/47/1073381447.db2.gz IJJPXNWALRJQPY-QGZVFWFLSA-N -1 3 391.427 3.531 20 0 GHADHM O=C(Nc1cccnc1C1CC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001472281289 1073396800 /nfs/dbraw/zinc/39/68/00/1073396800.db2.gz XAYPDUBUYSVFQJ-UHFFFAOYSA-N -1 3 384.233 3.815 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001472289011 1073401146 /nfs/dbraw/zinc/40/11/46/1073401146.db2.gz VYCRJBPITQUVSU-RBSFLKMASA-N -1 3 387.505 3.514 20 0 GHADHM CCOc1ccc(C[C@@H](C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001472289170 1073401304 /nfs/dbraw/zinc/40/13/04/1073401304.db2.gz QPXOWWYCYNHGJY-KBAYOESNSA-N -1 3 383.492 3.602 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc(-c4ncon4)cc3)n[n-]2)cc1 ZINC001472355758 1073441928 /nfs/dbraw/zinc/44/19/28/1073441928.db2.gz VDQUQCNYURHUKS-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c([O-])c1 ZINC001472439912 1073490229 /nfs/dbraw/zinc/49/02/29/1073490229.db2.gz JGIFFGYRTCDCNK-CVEARBPZSA-N -1 3 380.460 3.593 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nnc(CC3CCCCC3)s1)c2=O ZINC001472508339 1073520996 /nfs/dbraw/zinc/52/09/96/1073520996.db2.gz PYWOHYRSOSINNU-UHFFFAOYSA-N -1 3 398.488 3.763 20 0 GHADHM CCCCOc1ccc(C(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC001472617743 1073578134 /nfs/dbraw/zinc/57/81/34/1073578134.db2.gz OQVORDBIEUKUPU-LRDDRELGSA-N -1 3 375.387 3.801 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCCN(c3ccccc3OC)CC2)c([O-])c1 ZINC001472632385 1073586742 /nfs/dbraw/zinc/58/67/42/1073586742.db2.gz MLQSRDBXLPUESG-UHFFFAOYSA-N -1 3 398.503 3.932 20 0 GHADHM C[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(-n2cccn2)c(F)c1 ZINC001473498580 1073990378 /nfs/dbraw/zinc/99/03/78/1073990378.db2.gz AHKRDJJGUJDJMZ-ZDUSSCGKSA-N -1 3 379.395 3.618 20 0 GHADHM COc1cc2ccccc2cc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001474383764 1074378038 /nfs/dbraw/zinc/37/80/38/1074378038.db2.gz WKMUKJCDELVUNQ-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM CCOC(=O)c1nc(CNCc2c(Cl)cccc2Oc2ccccc2)n[n-]1 ZINC001474693388 1074518479 /nfs/dbraw/zinc/51/84/79/1074518479.db2.gz RCPHGPLOJVQQMX-UHFFFAOYSA-N -1 3 386.839 3.717 20 0 GHADHM CCOC(=O)c1nnc(CNCc2c(Cl)cccc2Oc2ccccc2)[n-]1 ZINC001474693388 1074518484 /nfs/dbraw/zinc/51/84/84/1074518484.db2.gz RCPHGPLOJVQQMX-UHFFFAOYSA-N -1 3 386.839 3.717 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc(OC(F)F)cc1 ZINC001474818492 1074577273 /nfs/dbraw/zinc/57/72/73/1074577273.db2.gz XHTAKXGIBZKKGH-MRVPVSSYSA-N -1 3 380.775 3.515 20 0 GHADHM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3occc3Br)cc2c1C ZINC001474886472 1074612272 /nfs/dbraw/zinc/61/22/72/1074612272.db2.gz XGLBZANAPLZTDN-UHFFFAOYSA-N -1 3 383.267 3.619 20 0 GHADHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001474898420 1074619960 /nfs/dbraw/zinc/61/99/60/1074619960.db2.gz FZKWRDNHPQAKIN-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC001474987223 1074669723 /nfs/dbraw/zinc/66/97/23/1074669723.db2.gz SIYNXHGHNTYKLL-GFCCVEGCSA-N -1 3 386.286 3.979 20 0 GHADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001475121971 1074745996 /nfs/dbraw/zinc/74/59/96/1074745996.db2.gz BLACUAQZRYMJAI-UHFFFAOYSA-N -1 3 379.787 3.635 20 0 GHADHM CC(C)CSCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001475165829 1074766209 /nfs/dbraw/zinc/76/62/09/1074766209.db2.gz MGQFCZHQADYKKP-UHFFFAOYSA-N -1 3 386.764 3.770 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccco1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001475384690 1074855882 /nfs/dbraw/zinc/85/58/82/1074855882.db2.gz DJUBJNZHWHNPHN-CHWSQXEVSA-N -1 3 380.878 3.891 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475386627 1074857269 /nfs/dbraw/zinc/85/72/69/1074857269.db2.gz HUWIWPLZDIVGEB-GOEBONIOSA-N -1 3 392.974 3.708 20 0 GHADHM CCCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC(C)C ZINC001475465472 1074884468 /nfs/dbraw/zinc/88/44/68/1074884468.db2.gz PAYZFTQWLDSQPA-ZDUSSCGKSA-N -1 3 393.908 3.763 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)c(-c2ccccc2)s1 ZINC001475583286 1074920345 /nfs/dbraw/zinc/92/03/45/1074920345.db2.gz QFWUQVXYXXLBRB-MRXNPFEDSA-N -1 3 394.562 3.992 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2c3ccccc3CN2C)c1Cl ZINC001475595758 1074923474 /nfs/dbraw/zinc/92/34/74/1074923474.db2.gz RJTHIWCOIBYHGR-HNNXBMFYSA-N -1 3 385.316 3.767 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)cc1F ZINC001475616392 1074928482 /nfs/dbraw/zinc/92/84/82/1074928482.db2.gz TYMXLVOSVRXARQ-OAHLLOKOSA-N -1 3 391.798 3.966 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CCC1)c1cnc(Cl)c(Cl)c1 ZINC001475658598 1074994409 /nfs/dbraw/zinc/99/44/09/1074994409.db2.gz MYBBSNZNNFAALG-UHFFFAOYSA-N -1 3 389.279 3.928 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1cc2nc(Cl)ncc2s1 ZINC001475754239 1075014546 /nfs/dbraw/zinc/01/45/46/1075014546.db2.gz KMISKXQWYIJQQA-GFCCVEGCSA-N -1 3 379.894 3.701 20 0 GHADHM CNC(=O)c1cc(OC)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001546242474 1079354669 /nfs/dbraw/zinc/35/46/69/1079354669.db2.gz WSULUGIKCXDOSY-UHFFFAOYSA-N -1 3 390.439 3.604 20 0 GHADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1OC1CCCC1 ZINC000737132816 598830367 /nfs/dbraw/zinc/83/03/67/598830367.db2.gz RAXWBFUJCVYTTO-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccnc(Cl)c1 ZINC000738111839 598835123 /nfs/dbraw/zinc/83/51/23/598835123.db2.gz LXCSMAMCQGSKTN-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(Cl)s2)c1C ZINC000737502857 598840323 /nfs/dbraw/zinc/84/03/23/598840323.db2.gz CIBXRSDAFUXINW-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895464 598859021 /nfs/dbraw/zinc/85/90/21/598859021.db2.gz JTBGHFSATHSGTH-AUUYWEPGSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895464 598859022 /nfs/dbraw/zinc/85/90/22/598859022.db2.gz JTBGHFSATHSGTH-AUUYWEPGSA-N -1 3 379.464 3.555 20 0 GHADHM CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)on1 ZINC000735921550 598862300 /nfs/dbraw/zinc/86/23/00/598862300.db2.gz UJDSGLJAVLPASN-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)on1 ZINC000735921550 598862302 /nfs/dbraw/zinc/86/23/02/598862302.db2.gz UJDSGLJAVLPASN-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM Cc1noc(C)c1[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737539611 598865760 /nfs/dbraw/zinc/86/57/60/598865760.db2.gz SUJPWYWCBIUHFB-LBPRGKRZSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1noc(C)c1[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737539611 598865761 /nfs/dbraw/zinc/86/57/61/598865761.db2.gz SUJPWYWCBIUHFB-LBPRGKRZSA-N -1 3 388.431 3.630 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000738208741 598866628 /nfs/dbraw/zinc/86/66/28/598866628.db2.gz GVWQNSLRLOSULT-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738208741 598866630 /nfs/dbraw/zinc/86/66/30/598866630.db2.gz GVWQNSLRLOSULT-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895450 598878484 /nfs/dbraw/zinc/87/84/84/598878484.db2.gz JOVCRWKSZUTVCB-JLTOFOAXSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895450 598878486 /nfs/dbraw/zinc/87/84/86/598878486.db2.gz JOVCRWKSZUTVCB-JLTOFOAXSA-N -1 3 387.443 3.585 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736666149 598884141 /nfs/dbraw/zinc/88/41/41/598884141.db2.gz LRDUPDLCOUYNQT-ACJLOTCBSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666149 598884142 /nfs/dbraw/zinc/88/41/42/598884142.db2.gz LRDUPDLCOUYNQT-ACJLOTCBSA-N -1 3 397.504 3.544 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1csc2ccccc12 ZINC000736041244 598885184 /nfs/dbraw/zinc/88/51/84/598885184.db2.gz UZFWAPOVOIJJGB-ZDUSSCGKSA-N -1 3 394.456 3.635 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1csc2ccccc12 ZINC000736041244 598885185 /nfs/dbraw/zinc/88/51/85/598885185.db2.gz UZFWAPOVOIJJGB-ZDUSSCGKSA-N -1 3 394.456 3.635 20 0 GHADHM CN(CC1CCCC1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736794321 598891188 /nfs/dbraw/zinc/89/11/88/598891188.db2.gz QLNZVJFMQCLFJH-UHFFFAOYSA-N -1 3 396.520 3.927 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC(C1CC1)C1CC1 ZINC000738111759 598891194 /nfs/dbraw/zinc/89/11/94/598891194.db2.gz JYFLQLHOBJPYEJ-UHFFFAOYSA-N -1 3 394.504 3.583 20 0 GHADHM CC(C)(CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000735670166 598901499 /nfs/dbraw/zinc/90/14/99/598901499.db2.gz GZUHMNFZJMTGFH-UHFFFAOYSA-N -1 3 392.941 3.846 20 0 GHADHM CC(C)(CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000735670166 598901501 /nfs/dbraw/zinc/90/15/01/598901501.db2.gz GZUHMNFZJMTGFH-UHFFFAOYSA-N -1 3 392.941 3.846 20 0 GHADHM CN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCCC1 ZINC000736738616 598906265 /nfs/dbraw/zinc/90/62/65/598906265.db2.gz CIZUWLBLIUKBKP-UHFFFAOYSA-N -1 3 382.493 3.679 20 0 GHADHM CC1(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCCC1 ZINC000736224605 598906405 /nfs/dbraw/zinc/90/64/05/598906405.db2.gz STITXBYCWCTKFC-UHFFFAOYSA-N -1 3 382.493 3.727 20 0 GHADHM CCC[C@H](C)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736425249 598906578 /nfs/dbraw/zinc/90/65/78/598906578.db2.gz UNFRFKNGOIWACI-ZDUSSCGKSA-N -1 3 384.509 3.925 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735925045 598911250 /nfs/dbraw/zinc/91/12/50/598911250.db2.gz WPHCWVAVJAULSV-UXHICEINSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735925045 598911251 /nfs/dbraw/zinc/91/12/51/598911251.db2.gz WPHCWVAVJAULSV-UXHICEINSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000735735721 598912471 /nfs/dbraw/zinc/91/24/71/598912471.db2.gz UQJQXIYJQUWZFH-KNQAVFIVSA-N -1 3 395.507 3.619 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000735735721 598912473 /nfs/dbraw/zinc/91/24/73/598912473.db2.gz UQJQXIYJQUWZFH-KNQAVFIVSA-N -1 3 395.507 3.619 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738184011 598926946 /nfs/dbraw/zinc/92/69/46/598926946.db2.gz QPQOPZNBXCFUJN-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738184011 598926947 /nfs/dbraw/zinc/92/69/47/598926947.db2.gz QPQOPZNBXCFUJN-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(Cl)cc1 ZINC000737032045 598938413 /nfs/dbraw/zinc/93/84/13/598938413.db2.gz HDGPAOAWDWEWFZ-UHFFFAOYSA-N -1 3 376.869 3.841 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(Cl)cc1 ZINC000737032045 598938414 /nfs/dbraw/zinc/93/84/14/598938414.db2.gz HDGPAOAWDWEWFZ-UHFFFAOYSA-N -1 3 376.869 3.841 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000737301025 598947632 /nfs/dbraw/zinc/94/76/32/598947632.db2.gz GWWMRDDLQZUYDL-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000737301025 598947633 /nfs/dbraw/zinc/94/76/33/598947633.db2.gz GWWMRDDLQZUYDL-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737425616 598963676 /nfs/dbraw/zinc/96/36/76/598963676.db2.gz BYRHISYVWOAANA-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737425616 598963679 /nfs/dbraw/zinc/96/36/79/598963679.db2.gz BYRHISYVWOAANA-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM CCCCCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736447656 598978637 /nfs/dbraw/zinc/97/86/37/598978637.db2.gz SKJIBQWYXUECJB-UHFFFAOYSA-N -1 3 379.464 3.756 20 0 GHADHM Fc1cccc(CN(CCC(F)(F)F)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737662225 598983138 /nfs/dbraw/zinc/98/31/38/598983138.db2.gz SBTUIAYFUNLRII-UHFFFAOYSA-N -1 3 379.361 3.960 20 0 GHADHM CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736450578 599001330 /nfs/dbraw/zinc/00/13/30/599001330.db2.gz ANSAGDFYMKMTFS-MRXNPFEDSA-N -1 3 399.520 3.727 20 0 GHADHM CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736450578 599001332 /nfs/dbraw/zinc/00/13/32/599001332.db2.gz ANSAGDFYMKMTFS-MRXNPFEDSA-N -1 3 399.520 3.727 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000735830053 599015040 /nfs/dbraw/zinc/01/50/40/599015040.db2.gz AZYVUAKVXMSWTK-FQEVSTJZSA-N -1 3 389.503 3.971 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000735830053 599015042 /nfs/dbraw/zinc/01/50/42/599015042.db2.gz AZYVUAKVXMSWTK-FQEVSTJZSA-N -1 3 389.503 3.971 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736223194 599018041 /nfs/dbraw/zinc/01/80/41/599018041.db2.gz IHFOGTMHVWDKAS-IYBDPMFKSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736223194 599018042 /nfs/dbraw/zinc/01/80/42/599018042.db2.gz IHFOGTMHVWDKAS-IYBDPMFKSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736231864 599022393 /nfs/dbraw/zinc/02/23/93/599022393.db2.gz YHPDAGKQPMKCJM-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736231864 599022394 /nfs/dbraw/zinc/02/23/94/599022394.db2.gz YHPDAGKQPMKCJM-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM CCC1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736409735 599023338 /nfs/dbraw/zinc/02/33/38/599023338.db2.gz MXDXULBXRBQBNL-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM Fc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737648608 599043186 /nfs/dbraw/zinc/04/31/86/599043186.db2.gz IDSSAUHMYHRVTA-ZDUSSCGKSA-N -1 3 378.333 3.761 20 0 GHADHM Fc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737648608 599043189 /nfs/dbraw/zinc/04/31/89/599043189.db2.gz IDSSAUHMYHRVTA-ZDUSSCGKSA-N -1 3 378.333 3.761 20 0 GHADHM COc1c(C)cc(CN(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1C ZINC000737025125 599051563 /nfs/dbraw/zinc/05/15/63/599051563.db2.gz WMZOZAIKFSICRO-UHFFFAOYSA-N -1 3 392.385 3.542 20 0 GHADHM COc1c(C)cc(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1C ZINC000737025125 599051565 /nfs/dbraw/zinc/05/15/65/599051565.db2.gz WMZOZAIKFSICRO-UHFFFAOYSA-N -1 3 392.385 3.542 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000819933595 599056035 /nfs/dbraw/zinc/05/60/35/599056035.db2.gz XCUDSKIJPKSMTP-MRXNPFEDSA-N -1 3 398.442 3.684 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000819933595 599056038 /nfs/dbraw/zinc/05/60/38/599056038.db2.gz XCUDSKIJPKSMTP-MRXNPFEDSA-N -1 3 398.442 3.684 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737347779 599068602 /nfs/dbraw/zinc/06/86/02/599068602.db2.gz QZULJMBLYNDSIA-HNNXBMFYSA-N -1 3 378.480 3.511 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737347779 599068605 /nfs/dbraw/zinc/06/86/05/599068605.db2.gz QZULJMBLYNDSIA-HNNXBMFYSA-N -1 3 378.480 3.511 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cc(F)cc1F ZINC000735831702 599070792 /nfs/dbraw/zinc/07/07/92/599070792.db2.gz SYGXZGAOUYQEAU-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)cc(F)cc1F ZINC000735831702 599070794 /nfs/dbraw/zinc/07/07/94/599070794.db2.gz SYGXZGAOUYQEAU-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000735561099 599074224 /nfs/dbraw/zinc/07/42/24/599074224.db2.gz VOMDBYXOHGRJME-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000735561099 599074227 /nfs/dbraw/zinc/07/42/27/599074227.db2.gz VOMDBYXOHGRJME-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000736267609 599082727 /nfs/dbraw/zinc/08/27/27/599082727.db2.gz UHNZRVBPHHSWNK-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000736267609 599082731 /nfs/dbraw/zinc/08/27/31/599082731.db2.gz UHNZRVBPHHSWNK-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736245501 599086590 /nfs/dbraw/zinc/08/65/90/599086590.db2.gz SKEQYAGCESBLHF-CABCVRRESA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736245501 599086593 /nfs/dbraw/zinc/08/65/93/599086593.db2.gz SKEQYAGCESBLHF-CABCVRRESA-N -1 3 392.463 3.705 20 0 GHADHM CO[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000821677260 599090567 /nfs/dbraw/zinc/09/05/67/599090567.db2.gz SGDVDYBXJULKPT-QGZVFWFLSA-N -1 3 380.839 3.868 20 0 GHADHM CO[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000821677260 599090570 /nfs/dbraw/zinc/09/05/70/599090570.db2.gz SGDVDYBXJULKPT-QGZVFWFLSA-N -1 3 380.839 3.868 20 0 GHADHM CC[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000736360821 599102761 /nfs/dbraw/zinc/10/27/61/599102761.db2.gz AHRRYVDUWFXERA-FQEVSTJZSA-N -1 3 399.458 3.886 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735719577 599103386 /nfs/dbraw/zinc/10/33/86/599103386.db2.gz GHYGDHHZLDQGFL-KRWDZBQOSA-N -1 3 384.871 3.717 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735719577 599103388 /nfs/dbraw/zinc/10/33/88/599103388.db2.gz GHYGDHHZLDQGFL-KRWDZBQOSA-N -1 3 384.871 3.717 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737389117 599103595 /nfs/dbraw/zinc/10/35/95/599103595.db2.gz IOIVXTWCCABBLX-APWZRJJASA-N -1 3 391.475 3.615 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737389117 599103596 /nfs/dbraw/zinc/10/35/96/599103596.db2.gz IOIVXTWCCABBLX-APWZRJJASA-N -1 3 391.475 3.615 20 0 GHADHM COc1ccccc1[C@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821883200 599127858 /nfs/dbraw/zinc/12/78/58/599127858.db2.gz SBRMUQDUHSFSAY-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821883200 599127860 /nfs/dbraw/zinc/12/78/60/599127860.db2.gz SBRMUQDUHSFSAY-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1nnc(CCCc2ccccc2)o1 ZINC000822744313 599133789 /nfs/dbraw/zinc/13/37/89/599133789.db2.gz QOGFGPPBWFRIIX-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1nnc(CCCc2ccccc2)o1 ZINC000822744313 599133792 /nfs/dbraw/zinc/13/37/92/599133792.db2.gz QOGFGPPBWFRIIX-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737329322 599158545 /nfs/dbraw/zinc/15/85/45/599158545.db2.gz FZKWGWSATFJKHP-CQSZACIVSA-N -1 3 388.884 3.955 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737329322 599158548 /nfs/dbraw/zinc/15/85/48/599158548.db2.gz FZKWGWSATFJKHP-CQSZACIVSA-N -1 3 388.884 3.955 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820870657 599160010 /nfs/dbraw/zinc/16/00/10/599160010.db2.gz WWHMGIPVVCITDI-UONOGXRCSA-N -1 3 383.452 3.593 20 0 GHADHM c1ccc2sc(SCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)nc2c1 ZINC000738446220 599160899 /nfs/dbraw/zinc/16/08/99/599160899.db2.gz VMUMJRLNELTSFS-UHFFFAOYSA-N -1 3 393.457 3.819 20 0 GHADHM c1ccc2sc(SCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)nc2c1 ZINC000738446220 599160900 /nfs/dbraw/zinc/16/09/00/599160900.db2.gz VMUMJRLNELTSFS-UHFFFAOYSA-N -1 3 393.457 3.819 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251787 599176548 /nfs/dbraw/zinc/17/65/48/599176548.db2.gz RXZUVJSNWFQJJZ-CABCVRRESA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251787 599176550 /nfs/dbraw/zinc/17/65/50/599176550.db2.gz RXZUVJSNWFQJJZ-CABCVRRESA-N -1 3 375.215 3.883 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccc(F)c1 ZINC000735569831 599177717 /nfs/dbraw/zinc/17/77/17/599177717.db2.gz IQIXZTCVVVNUJZ-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccc(F)c1 ZINC000735569831 599177719 /nfs/dbraw/zinc/17/77/19/599177719.db2.gz IQIXZTCVVVNUJZ-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1c1ccco1 ZINC000735660717 599180279 /nfs/dbraw/zinc/18/02/79/599180279.db2.gz ODKWUZOQMULOLO-CQSZACIVSA-N -1 3 383.456 3.775 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1c1ccco1 ZINC000735660717 599180282 /nfs/dbraw/zinc/18/02/82/599180282.db2.gz ODKWUZOQMULOLO-CQSZACIVSA-N -1 3 383.456 3.775 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc2ccsc2c1 ZINC000736479382 599181929 /nfs/dbraw/zinc/18/19/29/599181929.db2.gz GMAXTBTVNVPKKS-UHFFFAOYSA-N -1 3 378.461 3.529 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc2ccsc2c1 ZINC000736479382 599181930 /nfs/dbraw/zinc/18/19/30/599181930.db2.gz GMAXTBTVNVPKKS-UHFFFAOYSA-N -1 3 378.461 3.529 20 0 GHADHM COc1ccc2sc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120710 599182752 /nfs/dbraw/zinc/18/27/52/599182752.db2.gz SNUQJTIKTBROPJ-UHFFFAOYSA-N -1 3 393.472 3.671 20 0 GHADHM COc1ccc2sc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120710 599182754 /nfs/dbraw/zinc/18/27/54/599182754.db2.gz SNUQJTIKTBROPJ-UHFFFAOYSA-N -1 3 393.472 3.671 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352909 599182801 /nfs/dbraw/zinc/18/28/01/599182801.db2.gz MIZDYBSTRHACHN-SCLBCKFNSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352909 599182806 /nfs/dbraw/zinc/18/28/06/599182806.db2.gz MIZDYBSTRHACHN-SCLBCKFNSA-N -1 3 398.898 3.902 20 0 GHADHM CCN(C(=O)c1cnc2ccsc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508882 599183193 /nfs/dbraw/zinc/18/31/93/599183193.db2.gz PKLNBCJHSSKZNB-GFCCVEGCSA-N -1 3 378.461 3.700 20 0 GHADHM CCN(C(=O)c1cnc2ccsc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508882 599183195 /nfs/dbraw/zinc/18/31/95/599183195.db2.gz PKLNBCJHSSKZNB-GFCCVEGCSA-N -1 3 378.461 3.700 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000737056269 599187158 /nfs/dbraw/zinc/18/71/58/599187158.db2.gz BEZPTDOAOIYXPO-JTQLQIEISA-N -1 3 391.353 3.636 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000737056269 599187160 /nfs/dbraw/zinc/18/71/60/599187160.db2.gz BEZPTDOAOIYXPO-JTQLQIEISA-N -1 3 391.353 3.636 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343608 599203028 /nfs/dbraw/zinc/20/30/28/599203028.db2.gz ZTEHSOBOMJGWAF-UHFFFAOYSA-N -1 3 398.470 3.717 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343608 599203029 /nfs/dbraw/zinc/20/30/29/599203029.db2.gz ZTEHSOBOMJGWAF-UHFFFAOYSA-N -1 3 398.470 3.717 20 0 GHADHM CSCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821961221 599220803 /nfs/dbraw/zinc/22/08/03/599220803.db2.gz IFEPQDKPCMAANS-UHFFFAOYSA-N -1 3 387.440 3.880 20 0 GHADHM CSCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821961221 599220806 /nfs/dbraw/zinc/22/08/06/599220806.db2.gz IFEPQDKPCMAANS-UHFFFAOYSA-N -1 3 387.440 3.880 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232746 599221449 /nfs/dbraw/zinc/22/14/49/599221449.db2.gz ABEHBKDXOCAXHR-RDTXWAMCSA-N -1 3 379.464 3.701 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232746 599221451 /nfs/dbraw/zinc/22/14/51/599221451.db2.gz ABEHBKDXOCAXHR-RDTXWAMCSA-N -1 3 379.464 3.701 20 0 GHADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281901 599222530 /nfs/dbraw/zinc/22/25/30/599222530.db2.gz UYBWSOICWFGTRN-KXBFYZLASA-N -1 3 393.516 3.611 20 0 GHADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281901 599222532 /nfs/dbraw/zinc/22/25/32/599222532.db2.gz UYBWSOICWFGTRN-KXBFYZLASA-N -1 3 393.516 3.611 20 0 GHADHM Cc1ccc(CN(C(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000822236313 599224300 /nfs/dbraw/zinc/22/43/00/599224300.db2.gz TZDWGWGGHZIAGQ-AWEZNQCLSA-N -1 3 397.504 3.754 20 0 GHADHM Cc1ccc(CN(C(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000822236313 599224303 /nfs/dbraw/zinc/22/43/03/599224303.db2.gz TZDWGWGGHZIAGQ-AWEZNQCLSA-N -1 3 397.504 3.754 20 0 GHADHM CCCC[C@H](CC)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736437855 599224551 /nfs/dbraw/zinc/22/45/51/599224551.db2.gz GSRZPNALECLTMB-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@H](SCCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549317 599225102 /nfs/dbraw/zinc/22/51/02/599225102.db2.gz MCNSRPRQVNHPTE-ZDUSSCGKSA-N -1 3 385.468 3.507 20 0 GHADHM C[C@H](SCCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549317 599225105 /nfs/dbraw/zinc/22/51/05/599225105.db2.gz MCNSRPRQVNHPTE-ZDUSSCGKSA-N -1 3 385.468 3.507 20 0 GHADHM CCCC[C@@H](CC)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736439360 599225426 /nfs/dbraw/zinc/22/54/26/599225426.db2.gz PIJCCCBFVSYGEK-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCCC[C@@H](CC)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736439360 599225427 /nfs/dbraw/zinc/22/54/27/599225427.db2.gz PIJCCCBFVSYGEK-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821849322 607271474 /nfs/dbraw/zinc/27/14/74/607271474.db2.gz DCUXGJRZMWZYSY-OAHLLOKOSA-N -1 3 377.448 3.632 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821849322 607271475 /nfs/dbraw/zinc/27/14/75/607271475.db2.gz DCUXGJRZMWZYSY-OAHLLOKOSA-N -1 3 377.448 3.632 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823303869 599250351 /nfs/dbraw/zinc/25/03/51/599250351.db2.gz XMSKYTPWQVULFW-CQSZACIVSA-N -1 3 382.855 3.617 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823303869 599250352 /nfs/dbraw/zinc/25/03/52/599250352.db2.gz XMSKYTPWQVULFW-CQSZACIVSA-N -1 3 382.855 3.617 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823303868 599250556 /nfs/dbraw/zinc/25/05/56/599250556.db2.gz XMSKYTPWQVULFW-AWEZNQCLSA-N -1 3 382.855 3.617 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823303868 599250558 /nfs/dbraw/zinc/25/05/58/599250558.db2.gz XMSKYTPWQVULFW-AWEZNQCLSA-N -1 3 382.855 3.617 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822085351 607280612 /nfs/dbraw/zinc/28/06/12/607280612.db2.gz YKSIUKFRUWRUHS-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822085351 607280613 /nfs/dbraw/zinc/28/06/13/607280613.db2.gz YKSIUKFRUWRUHS-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM COCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)sc2cccc(F)c21 ZINC000821695310 607293997 /nfs/dbraw/zinc/29/39/97/607293997.db2.gz RNBJXONXJLJYJT-UHFFFAOYSA-N -1 3 397.435 3.928 20 0 GHADHM COCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)sc2cccc(F)c21 ZINC000821695310 607293998 /nfs/dbraw/zinc/29/39/98/607293998.db2.gz RNBJXONXJLJYJT-UHFFFAOYSA-N -1 3 397.435 3.928 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000820174305 607308532 /nfs/dbraw/zinc/30/85/32/607308532.db2.gz RDBVJOHIGOQHHT-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000820174305 607308533 /nfs/dbraw/zinc/30/85/33/607308533.db2.gz RDBVJOHIGOQHHT-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM COc1ccc(CNc2ccc3nc(C4CC4)sc3c2)cc1-c1nnn[n-]1 ZINC000821821507 607314488 /nfs/dbraw/zinc/31/44/88/607314488.db2.gz IPQDUWCLTUKJDK-UHFFFAOYSA-N -1 3 378.461 3.975 20 0 GHADHM COc1ccc(CNc2ccc3nc(C4CC4)sc3c2)cc1-c1nn[n-]n1 ZINC000821821507 607314489 /nfs/dbraw/zinc/31/44/89/607314489.db2.gz IPQDUWCLTUKJDK-UHFFFAOYSA-N -1 3 378.461 3.975 20 0 GHADHM Clc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1N1CCSCC1 ZINC000822568291 607315121 /nfs/dbraw/zinc/31/51/21/607315121.db2.gz OYCMMZKHVIFURY-UHFFFAOYSA-N -1 3 392.941 3.747 20 0 GHADHM Clc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1N1CCSCC1 ZINC000822568291 607315122 /nfs/dbraw/zinc/31/51/22/607315122.db2.gz OYCMMZKHVIFURY-UHFFFAOYSA-N -1 3 392.941 3.747 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N(C)C2CCC2)cc1 ZINC000821702229 599274554 /nfs/dbraw/zinc/27/45/54/599274554.db2.gz MNRWSMDYPYAGTE-UHFFFAOYSA-N -1 3 394.435 3.684 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N(C)C2CCC2)cc1 ZINC000821702229 599274556 /nfs/dbraw/zinc/27/45/56/599274556.db2.gz MNRWSMDYPYAGTE-UHFFFAOYSA-N -1 3 394.435 3.684 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000736115798 599275011 /nfs/dbraw/zinc/27/50/11/599275011.db2.gz AYMLYZKWVUCGSM-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000736115798 599275012 /nfs/dbraw/zinc/27/50/12/599275012.db2.gz AYMLYZKWVUCGSM-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000736488768 599277475 /nfs/dbraw/zinc/27/74/75/599277475.db2.gz SNAFGNQWZHDDPL-CYBMUJFWSA-N -1 3 382.443 3.960 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(F)cc1 ZINC000736488418 599277501 /nfs/dbraw/zinc/27/75/01/599277501.db2.gz OWDPNSXYLJVUPM-UHFFFAOYSA-N -1 3 386.456 3.559 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000736489014 599278125 /nfs/dbraw/zinc/27/81/25/599278125.db2.gz XFWJNMGNERMOFD-UHFFFAOYSA-N -1 3 389.463 3.741 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CSc2ccccc21 ZINC000736482204 599280625 /nfs/dbraw/zinc/28/06/25/599280625.db2.gz XOFOGUWUTNXCOT-KRWDZBQOSA-N -1 3 394.504 3.635 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CSc2ccccc21 ZINC000736482204 599280629 /nfs/dbraw/zinc/28/06/29/599280629.db2.gz XOFOGUWUTNXCOT-KRWDZBQOSA-N -1 3 394.504 3.635 20 0 GHADHM C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193153 599287606 /nfs/dbraw/zinc/28/76/06/599287606.db2.gz PVIKBYWZZIJJPT-ZDUSSCGKSA-N -1 3 396.524 3.637 20 0 GHADHM C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193153 599287609 /nfs/dbraw/zinc/28/76/09/599287609.db2.gz PVIKBYWZZIJJPT-ZDUSSCGKSA-N -1 3 396.524 3.637 20 0 GHADHM CCN(C(=O)[C@@H]1CSc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502099 599291898 /nfs/dbraw/zinc/29/18/98/599291898.db2.gz JZLWNPRFEGTLSX-CXAGYDPISA-N -1 3 379.489 3.666 20 0 GHADHM CCN(C(=O)[C@@H]1CSc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502099 599291901 /nfs/dbraw/zinc/29/19/01/599291901.db2.gz JZLWNPRFEGTLSX-CXAGYDPISA-N -1 3 379.489 3.666 20 0 GHADHM CCC(=O)c1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000820841798 607325747 /nfs/dbraw/zinc/32/57/47/607325747.db2.gz DTAOZEBHAROBNC-UHFFFAOYSA-N -1 3 386.868 3.922 20 0 GHADHM CCC(=O)c1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000820841798 607325748 /nfs/dbraw/zinc/32/57/48/607325748.db2.gz DTAOZEBHAROBNC-UHFFFAOYSA-N -1 3 386.868 3.922 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821082963 607333469 /nfs/dbraw/zinc/33/34/69/607333469.db2.gz QNZXPBQCVUGMIL-UHFFFAOYSA-N -1 3 378.480 3.739 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821082963 607333470 /nfs/dbraw/zinc/33/34/70/607333470.db2.gz QNZXPBQCVUGMIL-UHFFFAOYSA-N -1 3 378.480 3.739 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000735922151 598234654 /nfs/dbraw/zinc/23/46/54/598234654.db2.gz GTKZHWAPIARTBJ-UHFFFAOYSA-N -1 3 391.475 3.674 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000735922151 598234656 /nfs/dbraw/zinc/23/46/56/598234656.db2.gz GTKZHWAPIARTBJ-UHFFFAOYSA-N -1 3 391.475 3.674 20 0 GHADHM Cc1c([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000737208762 598237315 /nfs/dbraw/zinc/23/73/15/598237315.db2.gz FRKGKDOVSPUKNB-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000737208762 598237317 /nfs/dbraw/zinc/23/73/17/598237317.db2.gz FRKGKDOVSPUKNB-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736186533 598238952 /nfs/dbraw/zinc/23/89/52/598238952.db2.gz ZGCBTEOYQOVFAZ-HNNXBMFYSA-N -1 3 393.491 3.809 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736186533 598238955 /nfs/dbraw/zinc/23/89/55/598238955.db2.gz ZGCBTEOYQOVFAZ-HNNXBMFYSA-N -1 3 393.491 3.809 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737798540 598240073 /nfs/dbraw/zinc/24/00/73/598240073.db2.gz LUYBEELSIBCTQM-QHSLDKKCSA-N -1 3 391.450 3.643 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737798540 598240075 /nfs/dbraw/zinc/24/00/75/598240075.db2.gz LUYBEELSIBCTQM-QHSLDKKCSA-N -1 3 391.450 3.643 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737798546 598240474 /nfs/dbraw/zinc/24/04/74/598240474.db2.gz LUYBEELSIBCTQM-XGCMIMOYSA-N -1 3 391.450 3.643 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737798546 598240475 /nfs/dbraw/zinc/24/04/75/598240475.db2.gz LUYBEELSIBCTQM-XGCMIMOYSA-N -1 3 391.450 3.643 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000737653240 598252917 /nfs/dbraw/zinc/25/29/17/598252917.db2.gz ZLFYJAVTIWCVQA-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000737653240 598252920 /nfs/dbraw/zinc/25/29/20/598252920.db2.gz ZLFYJAVTIWCVQA-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Cc1cc(C)cc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737251728 598264472 /nfs/dbraw/zinc/26/44/72/598264472.db2.gz VYXOEMOUDVHHHH-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1cc(C)cc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737251728 598264473 /nfs/dbraw/zinc/26/44/73/598264473.db2.gz VYXOEMOUDVHHHH-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000822727967 607347002 /nfs/dbraw/zinc/34/70/02/607347002.db2.gz CXPHOMQDOKXGJY-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000822727967 607347004 /nfs/dbraw/zinc/34/70/04/607347004.db2.gz CXPHOMQDOKXGJY-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000735661038 598278583 /nfs/dbraw/zinc/27/85/83/598278583.db2.gz PYVWLTYRDGNKTK-INIZCTEOSA-N -1 3 385.516 4.000 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000735661038 598278584 /nfs/dbraw/zinc/27/85/84/598278584.db2.gz PYVWLTYRDGNKTK-INIZCTEOSA-N -1 3 385.516 4.000 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000737033129 598281199 /nfs/dbraw/zinc/28/11/99/598281199.db2.gz TWJGHDZYFAFTMH-UHFFFAOYSA-N -1 3 394.435 3.685 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000737033129 598281200 /nfs/dbraw/zinc/28/12/00/598281200.db2.gz TWJGHDZYFAFTMH-UHFFFAOYSA-N -1 3 394.435 3.685 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736259592 598282621 /nfs/dbraw/zinc/28/26/21/598282621.db2.gz FMGYVHRLTURJJN-CJNGLKHVSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736259592 598282622 /nfs/dbraw/zinc/28/26/22/598282622.db2.gz FMGYVHRLTURJJN-CJNGLKHVSA-N -1 3 379.489 3.936 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc2nccn2c1 ZINC000738185001 598283787 /nfs/dbraw/zinc/28/37/87/598283787.db2.gz PTPITAPWVMZQGX-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000821100313 607347736 /nfs/dbraw/zinc/34/77/36/607347736.db2.gz YEMSSJJLGPODRV-KRWDZBQOSA-N -1 3 381.505 3.787 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000821100313 607347737 /nfs/dbraw/zinc/34/77/37/607347737.db2.gz YEMSSJJLGPODRV-KRWDZBQOSA-N -1 3 381.505 3.787 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000591175368 598294868 /nfs/dbraw/zinc/29/48/68/598294868.db2.gz UEZFGLOXKLHWSZ-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000591175368 598294869 /nfs/dbraw/zinc/29/48/69/598294869.db2.gz UEZFGLOXKLHWSZ-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC000738232661 598302982 /nfs/dbraw/zinc/30/29/82/598302982.db2.gz NHKBEPODYHRVGX-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC000738232661 598302983 /nfs/dbraw/zinc/30/29/83/598302983.db2.gz NHKBEPODYHRVGX-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738632 598309884 /nfs/dbraw/zinc/30/98/84/598309884.db2.gz DLYSITQCYBACAF-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738632 598309886 /nfs/dbraw/zinc/30/98/86/598309886.db2.gz DLYSITQCYBACAF-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000738099277 598316785 /nfs/dbraw/zinc/31/67/85/598316785.db2.gz FVJSAGKXZPWCTL-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000738099277 598316786 /nfs/dbraw/zinc/31/67/86/598316786.db2.gz FVJSAGKXZPWCTL-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM CCN(Cc1cccs1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736556757 598318392 /nfs/dbraw/zinc/31/83/92/598318392.db2.gz SLARAJYNTJPMTG-UHFFFAOYSA-N -1 3 378.914 3.801 20 0 GHADHM CCN(Cc1cccs1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736556757 598318393 /nfs/dbraw/zinc/31/83/93/598318393.db2.gz SLARAJYNTJPMTG-UHFFFAOYSA-N -1 3 378.914 3.801 20 0 GHADHM C[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000736026366 598322176 /nfs/dbraw/zinc/32/21/76/598322176.db2.gz RVJSIJNKOASFPQ-JTQLQIEISA-N -1 3 390.875 3.749 20 0 GHADHM C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000736026366 598322178 /nfs/dbraw/zinc/32/21/78/598322178.db2.gz RVJSIJNKOASFPQ-JTQLQIEISA-N -1 3 390.875 3.749 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000738098779 598322991 /nfs/dbraw/zinc/32/29/91/598322991.db2.gz CMFSHZDMEFMSOM-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000738098779 598322993 /nfs/dbraw/zinc/32/29/93/598322993.db2.gz CMFSHZDMEFMSOM-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM CC(C)c1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cs1 ZINC000736279757 598325791 /nfs/dbraw/zinc/32/57/91/598325791.db2.gz MFQROKSBJTXHBV-SECBINFHSA-N -1 3 388.522 3.885 20 0 GHADHM CC(C)c1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cs1 ZINC000736279757 598325792 /nfs/dbraw/zinc/32/57/92/598325792.db2.gz MFQROKSBJTXHBV-SECBINFHSA-N -1 3 388.522 3.885 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(C(F)F)cc1 ZINC000738207836 598326154 /nfs/dbraw/zinc/32/61/54/598326154.db2.gz IVNAJOYAVBWEBL-UHFFFAOYSA-N -1 3 375.404 3.997 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(C(F)F)cc1 ZINC000738207836 598326155 /nfs/dbraw/zinc/32/61/55/598326155.db2.gz IVNAJOYAVBWEBL-UHFFFAOYSA-N -1 3 375.404 3.997 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000519274946 598358072 /nfs/dbraw/zinc/35/80/72/598358072.db2.gz BBQQYYJEFMTMSX-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000519274946 598358075 /nfs/dbraw/zinc/35/80/75/598358075.db2.gz BBQQYYJEFMTMSX-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736096565 598359828 /nfs/dbraw/zinc/35/98/28/598359828.db2.gz AAOPOGBXMJWSLK-OEYXZAGESA-N -1 3 375.457 3.972 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736096565 598359829 /nfs/dbraw/zinc/35/98/29/598359829.db2.gz AAOPOGBXMJWSLK-OEYXZAGESA-N -1 3 375.457 3.972 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737546769 598371352 /nfs/dbraw/zinc/37/13/52/598371352.db2.gz HFIPBUFPLACEFX-VOTSOKGWSA-N -1 3 393.428 3.648 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737546769 598371354 /nfs/dbraw/zinc/37/13/54/598371354.db2.gz HFIPBUFPLACEFX-VOTSOKGWSA-N -1 3 393.428 3.648 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737145650 598372507 /nfs/dbraw/zinc/37/25/07/598372507.db2.gz DLCWLWNUKITKGK-KRWDZBQOSA-N -1 3 396.426 3.774 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737145650 598372509 /nfs/dbraw/zinc/37/25/09/598372509.db2.gz DLCWLWNUKITKGK-KRWDZBQOSA-N -1 3 396.426 3.774 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1c(Cl)cccc1Cl ZINC000738385380 598373220 /nfs/dbraw/zinc/37/32/20/598373220.db2.gz ICVMTCJZEMQKJU-NSHDSACASA-N -1 3 397.287 3.706 20 0 GHADHM CCn1nc(C)c(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1C ZINC000736727733 598381280 /nfs/dbraw/zinc/38/12/80/598381280.db2.gz DQODRGBNAQFLRE-UHFFFAOYSA-N -1 3 388.431 3.586 20 0 GHADHM CCn1nc(C)c(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1C ZINC000736727733 598381282 /nfs/dbraw/zinc/38/12/82/598381282.db2.gz DQODRGBNAQFLRE-UHFFFAOYSA-N -1 3 388.431 3.586 20 0 GHADHM COc1ccc2oc([C@@H](C)Nc3nc4c(cc3-c3nnn[n-]3)CCC4)c(C)c2c1 ZINC000737119519 598388292 /nfs/dbraw/zinc/38/82/92/598388292.db2.gz CNNDWGQSEKDKJM-GFCCVEGCSA-N -1 3 390.447 3.987 20 0 GHADHM COc1ccc2oc([C@@H](C)Nc3nc4c(cc3-c3nn[n-]n3)CCC4)c(C)c2c1 ZINC000737119519 598388293 /nfs/dbraw/zinc/38/82/93/598388293.db2.gz CNNDWGQSEKDKJM-GFCCVEGCSA-N -1 3 390.447 3.987 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000736480880 598392696 /nfs/dbraw/zinc/39/26/96/598392696.db2.gz NZEUVCWWJMOUIW-LJQANCHMSA-N -1 3 394.454 3.615 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000736480880 598392698 /nfs/dbraw/zinc/39/26/98/598392698.db2.gz NZEUVCWWJMOUIW-LJQANCHMSA-N -1 3 394.454 3.615 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000737955859 598416908 /nfs/dbraw/zinc/41/69/08/598416908.db2.gz NMCMUYKXTPVWDI-HNNXBMFYSA-N -1 3 396.756 3.909 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000737955859 598416910 /nfs/dbraw/zinc/41/69/10/598416910.db2.gz NMCMUYKXTPVWDI-HNNXBMFYSA-N -1 3 396.756 3.909 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736054846 598418961 /nfs/dbraw/zinc/41/89/61/598418961.db2.gz BHPGCUOQRMPDDZ-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736054846 598418963 /nfs/dbraw/zinc/41/89/63/598418963.db2.gz BHPGCUOQRMPDDZ-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736182968 598422338 /nfs/dbraw/zinc/42/23/38/598422338.db2.gz IIMSUQNJJYYVSO-CHWSQXEVSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736182968 598422339 /nfs/dbraw/zinc/42/23/39/598422339.db2.gz IIMSUQNJJYYVSO-CHWSQXEVSA-N -1 3 393.472 3.726 20 0 GHADHM CCCCCCOCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736447089 598436451 /nfs/dbraw/zinc/43/64/51/598436451.db2.gz NWGIXRIEZDOUAE-UHFFFAOYSA-N -1 3 386.481 3.526 20 0 GHADHM CCCCCCOCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736447089 598436453 /nfs/dbraw/zinc/43/64/53/598436453.db2.gz NWGIXRIEZDOUAE-UHFFFAOYSA-N -1 3 386.481 3.526 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1ccccc1Cl ZINC000736633391 598443769 /nfs/dbraw/zinc/44/37/69/598443769.db2.gz ASKGUNVITYHROD-ZRDIBKRKSA-N -1 3 383.839 3.961 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1ccccc1Cl ZINC000736633391 598443770 /nfs/dbraw/zinc/44/37/70/598443770.db2.gz ASKGUNVITYHROD-ZRDIBKRKSA-N -1 3 383.839 3.961 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741827 598444242 /nfs/dbraw/zinc/44/42/42/598444242.db2.gz UBZMPSJEJCUFNK-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741827 598444244 /nfs/dbraw/zinc/44/42/44/598444244.db2.gz UBZMPSJEJCUFNK-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1=COCCC1 ZINC000737279301 598449057 /nfs/dbraw/zinc/44/90/57/598449057.db2.gz JCGKEPBVWYOMKS-UHFFFAOYSA-N -1 3 377.404 3.600 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1=COCCC1 ZINC000737279301 598449060 /nfs/dbraw/zinc/44/90/60/598449060.db2.gz JCGKEPBVWYOMKS-UHFFFAOYSA-N -1 3 377.404 3.600 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC000736259427 598449643 /nfs/dbraw/zinc/44/96/43/598449643.db2.gz FDLLNLXTRDZWLS-RDTXWAMCSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC000736259427 598449645 /nfs/dbraw/zinc/44/96/45/598449645.db2.gz FDLLNLXTRDZWLS-RDTXWAMCSA-N -1 3 392.463 3.609 20 0 GHADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737587991 598450563 /nfs/dbraw/zinc/45/05/63/598450563.db2.gz BMBWVADLZOGSPQ-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737587991 598450566 /nfs/dbraw/zinc/45/05/66/598450566.db2.gz BMBWVADLZOGSPQ-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737464835 598458557 /nfs/dbraw/zinc/45/85/57/598458557.db2.gz ZZCHYKDUHZYZTC-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737464835 598458558 /nfs/dbraw/zinc/45/85/58/598458558.db2.gz ZZCHYKDUHZYZTC-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000738320908 598464470 /nfs/dbraw/zinc/46/44/70/598464470.db2.gz ZODNGGZDVZALGC-BQYQJAHWSA-N -1 3 397.243 3.553 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000738320908 598464472 /nfs/dbraw/zinc/46/44/72/598464472.db2.gz ZODNGGZDVZALGC-BQYQJAHWSA-N -1 3 397.243 3.553 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737797184 598476141 /nfs/dbraw/zinc/47/61/41/598476141.db2.gz DUVPLCSAASASQZ-JXMROGBWSA-N -1 3 394.866 3.772 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737797184 598476142 /nfs/dbraw/zinc/47/61/42/598476142.db2.gz DUVPLCSAASASQZ-JXMROGBWSA-N -1 3 394.866 3.772 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113682 598479253 /nfs/dbraw/zinc/47/92/53/598479253.db2.gz RPDUFRRKNDGMCD-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113682 598479254 /nfs/dbraw/zinc/47/92/54/598479254.db2.gz RPDUFRRKNDGMCD-GFCCVEGCSA-N -1 3 384.871 3.816 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000737544794 598483738 /nfs/dbraw/zinc/48/37/38/598483738.db2.gz AQJWZDFJLCSMTK-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000737544794 598483740 /nfs/dbraw/zinc/48/37/40/598483740.db2.gz AQJWZDFJLCSMTK-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736148146 598484272 /nfs/dbraw/zinc/48/42/72/598484272.db2.gz FULMYMIRKRZDEU-LBPRGKRZSA-N -1 3 388.374 3.608 20 0 GHADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736148146 598484273 /nfs/dbraw/zinc/48/42/73/598484273.db2.gz FULMYMIRKRZDEU-LBPRGKRZSA-N -1 3 388.374 3.608 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737017506 598488241 /nfs/dbraw/zinc/48/82/41/598488241.db2.gz UUGMDTNHOBDZOK-GFCCVEGCSA-N -1 3 378.388 3.677 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737017506 598488242 /nfs/dbraw/zinc/48/82/42/598488242.db2.gz UUGMDTNHOBDZOK-GFCCVEGCSA-N -1 3 378.388 3.677 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCSc1ccccc1F ZINC000735661679 598489348 /nfs/dbraw/zinc/48/93/48/598489348.db2.gz WSWNGVVUPPLGQZ-UHFFFAOYSA-N -1 3 388.472 3.683 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccccc1F ZINC000735661679 598489350 /nfs/dbraw/zinc/48/93/50/598489350.db2.gz WSWNGVVUPPLGQZ-UHFFFAOYSA-N -1 3 388.472 3.683 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736149970 598490342 /nfs/dbraw/zinc/49/03/42/598490342.db2.gz LSWZUGSCHXERFP-LBPRGKRZSA-N -1 3 384.823 3.787 20 0 GHADHM C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736149970 598490343 /nfs/dbraw/zinc/49/03/43/598490343.db2.gz LSWZUGSCHXERFP-LBPRGKRZSA-N -1 3 384.823 3.787 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736157852 598491743 /nfs/dbraw/zinc/49/17/43/598491743.db2.gz CXNLDGPNENTMIO-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1cc(Br)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736157852 598491744 /nfs/dbraw/zinc/49/17/44/598491744.db2.gz CXNLDGPNENTMIO-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000472661144 598494013 /nfs/dbraw/zinc/49/40/13/598494013.db2.gz SXIKPAUQKHSYFW-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000472661144 598494014 /nfs/dbraw/zinc/49/40/14/598494014.db2.gz SXIKPAUQKHSYFW-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000737196258 598494729 /nfs/dbraw/zinc/49/47/29/598494729.db2.gz BCXHBQKLPURXOE-RZDIXWSQSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000737196258 598494731 /nfs/dbraw/zinc/49/47/31/598494731.db2.gz BCXHBQKLPURXOE-RZDIXWSQSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(Br)c1 ZINC000737194918 598503886 /nfs/dbraw/zinc/50/38/86/598503886.db2.gz VOOCFFOIOIGNSU-SSDOTTSWSA-N -1 3 397.639 3.990 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(Br)c1 ZINC000737194918 598503888 /nfs/dbraw/zinc/50/38/88/598503888.db2.gz VOOCFFOIOIGNSU-SSDOTTSWSA-N -1 3 397.639 3.990 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1cccs1 ZINC000736120202 598538464 /nfs/dbraw/zinc/53/84/64/598538464.db2.gz VETRMRPXNKKPNR-GFCCVEGCSA-N -1 3 395.444 3.591 20 0 GHADHM C[C@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000736159085 598538600 /nfs/dbraw/zinc/53/86/00/598538600.db2.gz UJNRVLDEWPROHA-AWEZNQCLSA-N -1 3 390.399 3.957 20 0 GHADHM CCC(CC)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000736346316 598539954 /nfs/dbraw/zinc/53/99/54/598539954.db2.gz XZUUXDHIIBBRHQ-UHFFFAOYSA-N -1 3 395.463 3.832 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736271387 598540248 /nfs/dbraw/zinc/54/02/48/598540248.db2.gz MTSXIBUSNFJWBD-GOEBONIOSA-N -1 3 395.463 3.595 20 0 GHADHM O=S(=O)(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCCCC1 ZINC000738340531 598541337 /nfs/dbraw/zinc/54/13/37/598541337.db2.gz XLTOJSNXOKGZDM-UHFFFAOYSA-N -1 3 384.461 3.575 20 0 GHADHM O=S(=O)(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCCCC1 ZINC000738340531 598541338 /nfs/dbraw/zinc/54/13/38/598541338.db2.gz XLTOJSNXOKGZDM-UHFFFAOYSA-N -1 3 384.461 3.575 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736460448 598541403 /nfs/dbraw/zinc/54/14/03/598541403.db2.gz LBSZPKVXRMERGJ-OAHLLOKOSA-N -1 3 395.463 3.589 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736460448 598541405 /nfs/dbraw/zinc/54/14/05/598541405.db2.gz LBSZPKVXRMERGJ-OAHLLOKOSA-N -1 3 395.463 3.589 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CCCCC1 ZINC000738173363 598544485 /nfs/dbraw/zinc/54/44/85/598544485.db2.gz PDCVAEDTRZFSCX-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CCCCC1 ZINC000738173363 598544486 /nfs/dbraw/zinc/54/44/86/598544486.db2.gz PDCVAEDTRZFSCX-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CCN(C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C)C1CC1 ZINC000736505361 598558589 /nfs/dbraw/zinc/55/85/89/598558589.db2.gz HHJXOPJIYALTOD-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM CCN(C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C)C1CC1 ZINC000736505361 598558590 /nfs/dbraw/zinc/55/85/90/598558590.db2.gz HHJXOPJIYALTOD-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115656 598561742 /nfs/dbraw/zinc/56/17/42/598561742.db2.gz YYMRVNLXPDMXQM-CABCVRRESA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115656 598561743 /nfs/dbraw/zinc/56/17/43/598561743.db2.gz YYMRVNLXPDMXQM-CABCVRRESA-N -1 3 378.480 3.593 20 0 GHADHM CCCCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736462523 598564959 /nfs/dbraw/zinc/56/49/59/598564959.db2.gz DLYGTWDCWYRHDG-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM CCCCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736462523 598564961 /nfs/dbraw/zinc/56/49/61/598564961.db2.gz DLYGTWDCWYRHDG-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737561575 598568780 /nfs/dbraw/zinc/56/87/80/598568780.db2.gz IXENZBZUKGUCJR-QWRGUYRKSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737561575 598568781 /nfs/dbraw/zinc/56/87/81/598568781.db2.gz IXENZBZUKGUCJR-QWRGUYRKSA-N -1 3 375.404 3.565 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000738191428 598574099 /nfs/dbraw/zinc/57/40/99/598574099.db2.gz JZHPUPLXOXNAIJ-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000738191428 598574100 /nfs/dbraw/zinc/57/41/00/598574100.db2.gz JZHPUPLXOXNAIJ-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM COCCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737015409 598575206 /nfs/dbraw/zinc/57/52/06/598575206.db2.gz OSOGDZXFPSGFNP-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737015409 598575207 /nfs/dbraw/zinc/57/52/07/598575207.db2.gz OSOGDZXFPSGFNP-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM CSCc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737187724 598587725 /nfs/dbraw/zinc/58/77/25/598587725.db2.gz RZQNGUTVCDYYEX-GOSISDBHSA-N -1 3 397.504 3.772 20 0 GHADHM CSCc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737187724 598587726 /nfs/dbraw/zinc/58/77/26/598587726.db2.gz RZQNGUTVCDYYEX-GOSISDBHSA-N -1 3 397.504 3.772 20 0 GHADHM O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738216433 598608068 /nfs/dbraw/zinc/60/80/68/598608068.db2.gz ZLOFISNRLQFWHX-SFHVURJKSA-N -1 3 381.411 3.879 20 0 GHADHM O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738216433 598608070 /nfs/dbraw/zinc/60/80/70/598608070.db2.gz ZLOFISNRLQFWHX-SFHVURJKSA-N -1 3 381.411 3.879 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H](c1cncc(F)c1)C1CCCCC1 ZINC000737956474 598608244 /nfs/dbraw/zinc/60/82/44/598608244.db2.gz ZVHGDYATYXKXMK-HXUWFJFHSA-N -1 3 395.438 3.808 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H](c1cncc(F)c1)C1CCCCC1 ZINC000737956474 598608246 /nfs/dbraw/zinc/60/82/46/598608246.db2.gz ZVHGDYATYXKXMK-HXUWFJFHSA-N -1 3 395.438 3.808 20 0 GHADHM c1cc(-c2nc(C3CCCC3)no2)oc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000738413582 598610104 /nfs/dbraw/zinc/61/01/04/598610104.db2.gz XKLWAQLMCJTXKX-UHFFFAOYSA-N -1 3 378.392 3.746 20 0 GHADHM CN(Cc1csc(-c2ccccc2F)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736821862 598614376 /nfs/dbraw/zinc/61/43/76/598614376.db2.gz HDZKPGSGOLRSSL-UHFFFAOYSA-N -1 3 380.452 3.761 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000736236795 598624670 /nfs/dbraw/zinc/62/46/70/598624670.db2.gz LCVUNVYUUMUENE-ABAIWWIYSA-N -1 3 396.426 3.919 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000736236795 598624672 /nfs/dbraw/zinc/62/46/72/598624672.db2.gz LCVUNVYUUMUENE-ABAIWWIYSA-N -1 3 396.426 3.919 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198371 598628872 /nfs/dbraw/zinc/62/88/72/598628872.db2.gz SMFCNVXTWQHQLU-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198371 598628874 /nfs/dbraw/zinc/62/88/74/598628874.db2.gz SMFCNVXTWQHQLU-VIFPVBQESA-N -1 3 376.342 3.509 20 0 GHADHM COc1ccc([C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000737073924 598632414 /nfs/dbraw/zinc/63/24/14/598632414.db2.gz GEYJLWIFKIZZTN-QGZVFWFLSA-N -1 3 384.415 3.533 20 0 GHADHM COc1ccc([C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000737073924 598632416 /nfs/dbraw/zinc/63/24/16/598632416.db2.gz GEYJLWIFKIZZTN-QGZVFWFLSA-N -1 3 384.415 3.533 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737064910 598633248 /nfs/dbraw/zinc/63/32/48/598633248.db2.gz FFIFEUNFYHHCKU-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737064910 598633249 /nfs/dbraw/zinc/63/32/49/598633249.db2.gz FFIFEUNFYHHCKU-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000738166496 598635087 /nfs/dbraw/zinc/63/50/87/598635087.db2.gz JWHRPQZTODMMTD-INIZCTEOSA-N -1 3 386.818 3.932 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000738166496 598635089 /nfs/dbraw/zinc/63/50/89/598635089.db2.gz JWHRPQZTODMMTD-INIZCTEOSA-N -1 3 386.818 3.932 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@H]1C ZINC000736251959 598647763 /nfs/dbraw/zinc/64/77/63/598647763.db2.gz JMDZPCWMPBYPLP-GLJUWKHASA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@H]1C ZINC000736251959 598647765 /nfs/dbraw/zinc/64/77/65/598647765.db2.gz JMDZPCWMPBYPLP-GLJUWKHASA-N -1 3 392.463 3.609 20 0 GHADHM Cc1nc2ccc(NC(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)cc2o1 ZINC000737487833 598648747 /nfs/dbraw/zinc/64/87/47/598648747.db2.gz KABQVBCBUXCAON-UHFFFAOYSA-N -1 3 392.419 3.504 20 0 GHADHM Cc1nc2ccc(NC(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000737487833 598648749 /nfs/dbraw/zinc/64/87/49/598648749.db2.gz KABQVBCBUXCAON-UHFFFAOYSA-N -1 3 392.419 3.504 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736253686 598649551 /nfs/dbraw/zinc/64/95/51/598649551.db2.gz VLTXPJYVQWLRRE-RHSMWYFYSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736253686 598649553 /nfs/dbraw/zinc/64/95/53/598649553.db2.gz VLTXPJYVQWLRRE-RHSMWYFYSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)(CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735665692 598651156 /nfs/dbraw/zinc/65/11/56/598651156.db2.gz JTOGROVLLYYSST-UHFFFAOYSA-N -1 3 393.491 3.510 20 0 GHADHM CC(C)(CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735665692 598651157 /nfs/dbraw/zinc/65/11/57/598651157.db2.gz JTOGROVLLYYSST-UHFFFAOYSA-N -1 3 393.491 3.510 20 0 GHADHM CC(C)c1ocnc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000735953770 598652630 /nfs/dbraw/zinc/65/26/30/598652630.db2.gz KKSCXKXCYDQVTH-UHFFFAOYSA-N -1 3 380.433 3.959 20 0 GHADHM CC(C)c1ocnc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735953770 598652632 /nfs/dbraw/zinc/65/26/32/598652632.db2.gz KKSCXKXCYDQVTH-UHFFFAOYSA-N -1 3 380.433 3.959 20 0 GHADHM Clc1cc(NCc2ccc(N3CCCCCC3)nc2)ccc1-c1nnn[n-]1 ZINC000737563876 598653579 /nfs/dbraw/zinc/65/35/79/598653579.db2.gz HQJPTPVKMXLEGF-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM Clc1cc(NCc2ccc(N3CCCCCC3)nc2)ccc1-c1nn[n-]n1 ZINC000737563876 598653580 /nfs/dbraw/zinc/65/35/80/598653580.db2.gz HQJPTPVKMXLEGF-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cnn2ccccc12 ZINC000738173048 598655599 /nfs/dbraw/zinc/65/55/99/598655599.db2.gz AEVGGVDYNYBMHR-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cnn2ccccc12 ZINC000738173048 598655600 /nfs/dbraw/zinc/65/56/00/598655600.db2.gz AEVGGVDYNYBMHR-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332617 598664898 /nfs/dbraw/zinc/66/48/98/598664898.db2.gz QCEGZQNPUZLSPK-SFHVURJKSA-N -1 3 379.489 3.631 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332617 598664899 /nfs/dbraw/zinc/66/48/99/598664899.db2.gz QCEGZQNPUZLSPK-SFHVURJKSA-N -1 3 379.489 3.631 20 0 GHADHM CCC1(C)CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736395204 598686860 /nfs/dbraw/zinc/68/68/60/598686860.db2.gz HTNWASIYDHAOPG-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM CCC1(C)CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736395204 598686861 /nfs/dbraw/zinc/68/68/61/598686861.db2.gz HTNWASIYDHAOPG-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCCC1 ZINC000736222723 598724674 /nfs/dbraw/zinc/72/46/74/598724674.db2.gz JVKDIGOGJIVGRI-UHFFFAOYSA-N -1 3 379.424 3.508 20 0 GHADHM COCCCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736981525 598727533 /nfs/dbraw/zinc/72/75/33/598727533.db2.gz LUOWADSYNYFATA-UHFFFAOYSA-N -1 3 398.488 3.742 20 0 GHADHM COCCCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736981525 598727535 /nfs/dbraw/zinc/72/75/35/598727535.db2.gz LUOWADSYNYFATA-UHFFFAOYSA-N -1 3 398.488 3.742 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737795725 598753671 /nfs/dbraw/zinc/75/36/71/598753671.db2.gz LGOMCYVZCPMHAS-LAFDYMOFSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737795725 598753672 /nfs/dbraw/zinc/75/36/72/598753672.db2.gz LGOMCYVZCPMHAS-LAFDYMOFSA-N -1 3 391.431 3.580 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735920961 598770526 /nfs/dbraw/zinc/77/05/26/598770526.db2.gz CKOCORQZIXWWGU-AWEZNQCLSA-N -1 3 396.520 3.928 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735920961 598770527 /nfs/dbraw/zinc/77/05/27/598770527.db2.gz CKOCORQZIXWWGU-AWEZNQCLSA-N -1 3 396.520 3.928 20 0 GHADHM CCOc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000736644273 598781843 /nfs/dbraw/zinc/78/18/43/598781843.db2.gz WMGLNQNAEBJUMU-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000736644273 598781844 /nfs/dbraw/zinc/78/18/44/598781844.db2.gz WMGLNQNAEBJUMU-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM Fc1cc(F)c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737645415 598789611 /nfs/dbraw/zinc/78/96/11/598789611.db2.gz XICHYHHQSTUVHS-UHFFFAOYSA-N -1 3 384.774 3.746 20 0 GHADHM Fc1cc(F)c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737645415 598789613 /nfs/dbraw/zinc/78/96/13/598789613.db2.gz XICHYHHQSTUVHS-UHFFFAOYSA-N -1 3 384.774 3.746 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737523903 598791802 /nfs/dbraw/zinc/79/18/02/598791802.db2.gz VLZCMWOEPNIGBD-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737523903 598791803 /nfs/dbraw/zinc/79/18/03/598791803.db2.gz VLZCMWOEPNIGBD-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112809 598799405 /nfs/dbraw/zinc/79/94/05/598799405.db2.gz VCFWBXXIKCKHJO-KXBFYZLASA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112809 598799407 /nfs/dbraw/zinc/79/94/07/598799407.db2.gz VCFWBXXIKCKHJO-KXBFYZLASA-N -1 3 378.480 3.966 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738102858 598801788 /nfs/dbraw/zinc/80/17/88/598801788.db2.gz WJDAPDYSQFSBOH-SFHVURJKSA-N -1 3 396.882 3.861 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738102858 598801790 /nfs/dbraw/zinc/80/17/90/598801790.db2.gz WJDAPDYSQFSBOH-SFHVURJKSA-N -1 3 396.882 3.861 20 0 GHADHM CCC[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736419648 598804068 /nfs/dbraw/zinc/80/40/68/598804068.db2.gz NJNBBGDIPPFHJE-HNNXBMFYSA-N -1 3 381.455 3.971 20 0 GHADHM CCC[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736419648 598804071 /nfs/dbraw/zinc/80/40/71/598804071.db2.gz NJNBBGDIPPFHJE-HNNXBMFYSA-N -1 3 381.455 3.971 20 0 GHADHM O=C(c1ccoc1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738288975 598807673 /nfs/dbraw/zinc/80/76/73/598807673.db2.gz FKAIROBUSHOPQB-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM O=C(c1ccoc1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738288975 598807675 /nfs/dbraw/zinc/80/76/75/598807675.db2.gz FKAIROBUSHOPQB-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737823713 598816674 /nfs/dbraw/zinc/81/66/74/598816674.db2.gz ACCIYALTFOHIBX-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737823713 598816676 /nfs/dbraw/zinc/81/66/76/598816676.db2.gz ACCIYALTFOHIBX-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC000822208150 599298006 /nfs/dbraw/zinc/29/80/06/599298006.db2.gz DGXODTKGTAOXAS-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822208150 599298009 /nfs/dbraw/zinc/29/80/09/599298009.db2.gz DGXODTKGTAOXAS-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000736822696 599303256 /nfs/dbraw/zinc/30/32/56/599303256.db2.gz PZMRUNUDMSTTJG-UHFFFAOYSA-N -1 3 384.443 3.883 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000736822696 599303259 /nfs/dbraw/zinc/30/32/59/599303259.db2.gz PZMRUNUDMSTTJG-UHFFFAOYSA-N -1 3 384.443 3.883 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736329295 599309460 /nfs/dbraw/zinc/30/94/60/599309460.db2.gz SQXJTPQCSDPTCC-HNNXBMFYSA-N -1 3 379.464 3.812 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736329295 599309462 /nfs/dbraw/zinc/30/94/62/599309462.db2.gz SQXJTPQCSDPTCC-HNNXBMFYSA-N -1 3 379.464 3.812 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cc(F)cc2cccnc21 ZINC000821752367 607368262 /nfs/dbraw/zinc/36/82/62/607368262.db2.gz MFGRMPIVWZTALB-UHFFFAOYSA-N -1 3 381.436 3.996 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822115750 599323479 /nfs/dbraw/zinc/32/34/79/599323479.db2.gz IFAXKYAFYHDXFV-CQSZACIVSA-N -1 3 396.470 3.701 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822115750 599323482 /nfs/dbraw/zinc/32/34/82/599323482.db2.gz IFAXKYAFYHDXFV-CQSZACIVSA-N -1 3 396.470 3.701 20 0 GHADHM C[C@@H](SCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189578 599327949 /nfs/dbraw/zinc/32/79/49/599327949.db2.gz PVPRMGXVTMSMKD-OAHLLOKOSA-N -1 3 393.516 3.509 20 0 GHADHM C[C@@H](SCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189578 599327952 /nfs/dbraw/zinc/32/79/52/599327952.db2.gz PVPRMGXVTMSMKD-OAHLLOKOSA-N -1 3 393.516 3.509 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190435 599328476 /nfs/dbraw/zinc/32/84/76/599328476.db2.gz RZHUBDVGQBKXLZ-OAGGEKHMSA-N -1 3 395.532 3.969 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190435 599328477 /nfs/dbraw/zinc/32/84/77/599328477.db2.gz RZHUBDVGQBKXLZ-OAGGEKHMSA-N -1 3 395.532 3.969 20 0 GHADHM COc1ccc(NC(=O)CCS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737100939 599331339 /nfs/dbraw/zinc/33/13/39/599331339.db2.gz ANWRAANJVSJRQW-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccc(NC(=O)CCS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737100939 599331341 /nfs/dbraw/zinc/33/13/41/599331341.db2.gz ANWRAANJVSJRQW-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3cccs3)no2)ccc1-c1nnn[n-]1 ZINC000737632765 599331621 /nfs/dbraw/zinc/33/16/21/599331621.db2.gz MVVAWKOEKDNPEQ-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3cccs3)no2)ccc1-c1nn[n-]n1 ZINC000737632765 599331623 /nfs/dbraw/zinc/33/16/23/599331623.db2.gz MVVAWKOEKDNPEQ-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000819899543 599343803 /nfs/dbraw/zinc/34/38/03/599343803.db2.gz WNQGLMZKZFLACC-MRXNPFEDSA-N -1 3 387.534 3.924 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000819899543 599343807 /nfs/dbraw/zinc/34/38/07/599343807.db2.gz WNQGLMZKZFLACC-MRXNPFEDSA-N -1 3 387.534 3.924 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820555890 599349823 /nfs/dbraw/zinc/34/98/23/599349823.db2.gz QNUBPIFTAADKFT-ZIAGYGMSSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820555890 599349825 /nfs/dbraw/zinc/34/98/25/599349825.db2.gz QNUBPIFTAADKFT-ZIAGYGMSSA-N -1 3 379.489 3.715 20 0 GHADHM CN(C)c1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588450 599361536 /nfs/dbraw/zinc/36/15/36/599361536.db2.gz SYMXQTXPYDSUTB-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM CN(C)c1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588450 599361539 /nfs/dbraw/zinc/36/15/39/599361539.db2.gz SYMXQTXPYDSUTB-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)CNc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737379184 599366331 /nfs/dbraw/zinc/36/63/31/599366331.db2.gz DVFVOVFHQQPDIE-UHFFFAOYSA-N -1 3 398.470 3.570 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820146392 599370128 /nfs/dbraw/zinc/37/01/28/599370128.db2.gz NFJZUVFRVQMBOV-INIZCTEOSA-N -1 3 381.480 3.981 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820146392 599370130 /nfs/dbraw/zinc/37/01/30/599370130.db2.gz NFJZUVFRVQMBOV-INIZCTEOSA-N -1 3 381.480 3.981 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)n1cccc1 ZINC000735973835 599371636 /nfs/dbraw/zinc/37/16/36/599371636.db2.gz HTPRZPDYTKFPKW-KRWDZBQOSA-N -1 3 386.459 3.853 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)n1cccc1 ZINC000735973835 599371639 /nfs/dbraw/zinc/37/16/39/599371639.db2.gz HTPRZPDYTKFPKW-KRWDZBQOSA-N -1 3 386.459 3.853 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000821737692 607371800 /nfs/dbraw/zinc/37/18/00/607371800.db2.gz ZXHVPQCZUQBCCY-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000821737692 607371802 /nfs/dbraw/zinc/37/18/02/607371802.db2.gz ZXHVPQCZUQBCCY-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820359763 599408484 /nfs/dbraw/zinc/40/84/84/599408484.db2.gz VGTUNAJWXPRADN-KXBFYZLASA-N -1 3 378.480 3.667 20 0 GHADHM CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820359763 599408486 /nfs/dbraw/zinc/40/84/86/599408486.db2.gz VGTUNAJWXPRADN-KXBFYZLASA-N -1 3 378.480 3.667 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000736415663 599411300 /nfs/dbraw/zinc/41/13/00/599411300.db2.gz IMSKMDGEQNEUES-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000736415663 599411304 /nfs/dbraw/zinc/41/13/04/599411304.db2.gz IMSKMDGEQNEUES-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357964 599411808 /nfs/dbraw/zinc/41/18/08/599411808.db2.gz KZUZPSBMZSWZLX-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357964 599411810 /nfs/dbraw/zinc/41/18/10/599411810.db2.gz KZUZPSBMZSWZLX-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2nccc(C)n2)cc1 ZINC000737033237 599425230 /nfs/dbraw/zinc/42/52/30/599425230.db2.gz VIEHZMKYUWPGNK-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2nccc(C)n2)cc1 ZINC000737033237 599425233 /nfs/dbraw/zinc/42/52/33/599425233.db2.gz VIEHZMKYUWPGNK-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM C[C@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000824052350 607377337 /nfs/dbraw/zinc/37/73/37/607377337.db2.gz NOFXECUOGZODNA-AWEZNQCLSA-N -1 3 386.411 3.550 20 0 GHADHM C[C@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824052350 607377339 /nfs/dbraw/zinc/37/73/39/607377339.db2.gz NOFXECUOGZODNA-AWEZNQCLSA-N -1 3 386.411 3.550 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737054880 599439750 /nfs/dbraw/zinc/43/97/50/599439750.db2.gz YZVNVDKZNFTODM-LLVKDONJSA-N -1 3 394.410 3.744 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737054880 599439753 /nfs/dbraw/zinc/43/97/53/599439753.db2.gz YZVNVDKZNFTODM-LLVKDONJSA-N -1 3 394.410 3.744 20 0 GHADHM CC(C)CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)C ZINC000820072723 599441134 /nfs/dbraw/zinc/44/11/34/599441134.db2.gz LSEKBLAYEWPRNR-INIZCTEOSA-N -1 3 376.480 3.656 20 0 GHADHM CC(C)CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)C ZINC000820072723 599441137 /nfs/dbraw/zinc/44/11/37/599441137.db2.gz LSEKBLAYEWPRNR-INIZCTEOSA-N -1 3 376.480 3.656 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736057635 599462888 /nfs/dbraw/zinc/46/28/88/599462888.db2.gz XQJCXNYLTGVPEV-LBPRGKRZSA-N -1 3 386.912 3.780 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736057635 599462891 /nfs/dbraw/zinc/46/28/91/599462891.db2.gz XQJCXNYLTGVPEV-LBPRGKRZSA-N -1 3 386.912 3.780 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736056867 599467787 /nfs/dbraw/zinc/46/77/87/599467787.db2.gz RYEMTDXOULQAFK-AWEZNQCLSA-N -1 3 383.883 3.542 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736056867 599467789 /nfs/dbraw/zinc/46/77/89/599467789.db2.gz RYEMTDXOULQAFK-AWEZNQCLSA-N -1 3 383.883 3.542 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000735953832 599472394 /nfs/dbraw/zinc/47/23/94/599472394.db2.gz NFOATMKTXOOYRO-MRXNPFEDSA-N -1 3 388.479 3.576 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000735953832 599472398 /nfs/dbraw/zinc/47/23/98/599472398.db2.gz NFOATMKTXOOYRO-MRXNPFEDSA-N -1 3 388.479 3.576 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351201 599474241 /nfs/dbraw/zinc/47/42/41/599474241.db2.gz MYNPTCXRLYXHDO-ZHRRBRCNSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351201 599474244 /nfs/dbraw/zinc/47/42/44/599474244.db2.gz MYNPTCXRLYXHDO-ZHRRBRCNSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339507 599480296 /nfs/dbraw/zinc/48/02/96/599480296.db2.gz DDWZVBGNRAIHOT-MRXNPFEDSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339507 599480297 /nfs/dbraw/zinc/48/02/97/599480297.db2.gz DDWZVBGNRAIHOT-MRXNPFEDSA-N -1 3 390.491 3.940 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482095 599481585 /nfs/dbraw/zinc/48/15/85/599481585.db2.gz PXZFBRXAYXVSRB-GUYCJALGSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482095 599481587 /nfs/dbraw/zinc/48/15/87/599481587.db2.gz PXZFBRXAYXVSRB-GUYCJALGSA-N -1 3 380.452 3.630 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820689651 599494074 /nfs/dbraw/zinc/49/40/74/599494074.db2.gz AHJKSWFBHZCGOX-KDOFPFPSSA-N -1 3 378.432 3.787 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820689651 599494076 /nfs/dbraw/zinc/49/40/76/599494076.db2.gz AHJKSWFBHZCGOX-KDOFPFPSSA-N -1 3 378.432 3.787 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822431811 599498398 /nfs/dbraw/zinc/49/83/98/599498398.db2.gz KTKBZWCZINOSNS-LLVKDONJSA-N -1 3 382.493 3.780 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822431811 599498400 /nfs/dbraw/zinc/49/84/00/599498400.db2.gz KTKBZWCZINOSNS-LLVKDONJSA-N -1 3 382.493 3.780 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113646 599500457 /nfs/dbraw/zinc/50/04/57/599500457.db2.gz RAIQFOCGWZEXBI-WMLDXEAASA-N -1 3 380.452 3.848 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113646 599500459 /nfs/dbraw/zinc/50/04/59/599500459.db2.gz RAIQFOCGWZEXBI-WMLDXEAASA-N -1 3 380.452 3.848 20 0 GHADHM Cc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000737400512 599504200 /nfs/dbraw/zinc/50/42/00/599504200.db2.gz VABHSIKOKFSVRY-CYBMUJFWSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000737400512 599504202 /nfs/dbraw/zinc/50/42/02/599504202.db2.gz VABHSIKOKFSVRY-CYBMUJFWSA-N -1 3 396.520 3.945 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(c2ccccc2F)CC1 ZINC000738160733 599505764 /nfs/dbraw/zinc/50/57/64/599505764.db2.gz ADZXFLPKFASLFS-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2ccccc2F)CC1 ZINC000738160733 599505766 /nfs/dbraw/zinc/50/57/66/599505766.db2.gz ADZXFLPKFASLFS-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC(OC2CCCCC2)CC1 ZINC000823792587 599507540 /nfs/dbraw/zinc/50/75/40/599507540.db2.gz YKMNTYZMOGISRX-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC(OC2CCCCC2)CC1 ZINC000823792587 599507542 /nfs/dbraw/zinc/50/75/42/599507542.db2.gz YKMNTYZMOGISRX-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820536813 599509679 /nfs/dbraw/zinc/50/96/79/599509679.db2.gz XTDRWJBPUWQETH-CABCVRRESA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820536813 599509680 /nfs/dbraw/zinc/50/96/80/599509680.db2.gz XTDRWJBPUWQETH-CABCVRRESA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](NC(=O)CCSc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820328193 599511648 /nfs/dbraw/zinc/51/16/48/599511648.db2.gz NNCLQVIHARXQRO-GFCCVEGCSA-N -1 3 387.896 3.880 20 0 GHADHM C[C@@H](NC(=O)CCSc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820328193 599511649 /nfs/dbraw/zinc/51/16/49/599511649.db2.gz NNCLQVIHARXQRO-GFCCVEGCSA-N -1 3 387.896 3.880 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822229056 599513624 /nfs/dbraw/zinc/51/36/24/599513624.db2.gz LGHVSPMGJJQDSI-HZPDHXFCSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822229056 599513625 /nfs/dbraw/zinc/51/36/25/599513625.db2.gz LGHVSPMGJJQDSI-HZPDHXFCSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820235964 607381997 /nfs/dbraw/zinc/38/19/97/607381997.db2.gz VQWIYBNIHOJUKH-MEDUHNTESA-N -1 3 377.370 3.810 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820235964 607381999 /nfs/dbraw/zinc/38/19/99/607381999.db2.gz VQWIYBNIHOJUKH-MEDUHNTESA-N -1 3 377.370 3.810 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536930 599519495 /nfs/dbraw/zinc/51/94/95/599519495.db2.gz YWJQDCPQSMLVFV-LSDHHAIUSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536930 599519497 /nfs/dbraw/zinc/51/94/97/599519497.db2.gz YWJQDCPQSMLVFV-LSDHHAIUSA-N -1 3 393.491 3.809 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313688 599525543 /nfs/dbraw/zinc/52/55/43/599525543.db2.gz FPDYHNSNAKJWOE-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820313688 599525545 /nfs/dbraw/zinc/52/55/45/599525545.db2.gz FPDYHNSNAKJWOE-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737420756 599529304 /nfs/dbraw/zinc/52/93/04/599529304.db2.gz HDKXBWXYARKWLW-QWHCGFSZSA-N -1 3 388.397 3.971 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737420756 599529305 /nfs/dbraw/zinc/52/93/05/599529305.db2.gz HDKXBWXYARKWLW-QWHCGFSZSA-N -1 3 388.397 3.971 20 0 GHADHM C[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735978377 599539017 /nfs/dbraw/zinc/53/90/17/599539017.db2.gz VCHWUWOQSFVKDY-NSHDSACASA-N -1 3 376.338 3.985 20 0 GHADHM C[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735978377 599539021 /nfs/dbraw/zinc/53/90/21/599539021.db2.gz VCHWUWOQSFVKDY-NSHDSACASA-N -1 3 376.338 3.985 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737549458 599540151 /nfs/dbraw/zinc/54/01/51/599540151.db2.gz XMXZDAQYROPLLI-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737549458 599540154 /nfs/dbraw/zinc/54/01/54/599540154.db2.gz XMXZDAQYROPLLI-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735513002 599541363 /nfs/dbraw/zinc/54/13/63/599541363.db2.gz LZLGJXCGLXLFEK-CYBMUJFWSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735513002 599541365 /nfs/dbraw/zinc/54/13/65/599541365.db2.gz LZLGJXCGLXLFEK-CYBMUJFWSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314843 599543564 /nfs/dbraw/zinc/54/35/64/599543564.db2.gz KWFYLHGGKMWWHN-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314843 599543566 /nfs/dbraw/zinc/54/35/66/599543566.db2.gz KWFYLHGGKMWWHN-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736055600 599544032 /nfs/dbraw/zinc/54/40/32/599544032.db2.gz HLMAFLKLGOSWKR-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736055600 599544034 /nfs/dbraw/zinc/54/40/34/599544034.db2.gz HLMAFLKLGOSWKR-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820684554 599547791 /nfs/dbraw/zinc/54/77/91/599547791.db2.gz RFECPNFCOTYFCG-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820684554 599547793 /nfs/dbraw/zinc/54/77/93/599547793.db2.gz RFECPNFCOTYFCG-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422039 599549065 /nfs/dbraw/zinc/54/90/65/599549065.db2.gz OYEOGAOATDEBFF-WBVHZDCISA-N -1 3 393.516 3.672 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422039 599549066 /nfs/dbraw/zinc/54/90/66/599549066.db2.gz OYEOGAOATDEBFF-WBVHZDCISA-N -1 3 393.516 3.672 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H](C)c1ccc(F)cc1 ZINC000821230395 599567557 /nfs/dbraw/zinc/56/75/57/599567557.db2.gz JPEYNSBFQNPCNV-CYBMUJFWSA-N -1 3 393.426 3.639 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H](C)c1ccc(F)cc1 ZINC000821230395 599567559 /nfs/dbraw/zinc/56/75/59/599567559.db2.gz JPEYNSBFQNPCNV-CYBMUJFWSA-N -1 3 393.426 3.639 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CC/C=C\c1ccccc1 ZINC000736036797 599616892 /nfs/dbraw/zinc/61/68/92/599616892.db2.gz IDJBQSNCUONNCX-MGDKSHQASA-N -1 3 378.432 3.671 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CC/C=C\c1ccccc1 ZINC000736036797 599616893 /nfs/dbraw/zinc/61/68/93/599616893.db2.gz IDJBQSNCUONNCX-MGDKSHQASA-N -1 3 378.432 3.671 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822232794 599630003 /nfs/dbraw/zinc/63/00/03/599630003.db2.gz BDMBJHYLJLWRKG-WMZOPIPTSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822232794 599630004 /nfs/dbraw/zinc/63/00/04/599630004.db2.gz BDMBJHYLJLWRKG-WMZOPIPTSA-N -1 3 397.866 3.935 20 0 GHADHM O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823044554 599632508 /nfs/dbraw/zinc/63/25/08/599632508.db2.gz VIYNHRBDMXQSSA-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823044554 599632509 /nfs/dbraw/zinc/63/25/09/599632509.db2.gz VIYNHRBDMXQSSA-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c2ccccc2n1 ZINC000822176015 599633733 /nfs/dbraw/zinc/63/37/33/599633733.db2.gz DOVZOHPBKJCOSI-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c2ccccc2n1 ZINC000822176015 599633734 /nfs/dbraw/zinc/63/37/34/599633734.db2.gz DOVZOHPBKJCOSI-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)sc2n1 ZINC000822195454 599634796 /nfs/dbraw/zinc/63/47/96/599634796.db2.gz SBSMUILFCOXOQF-GFCCVEGCSA-N -1 3 378.461 3.584 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)sc2n1 ZINC000822195454 599634797 /nfs/dbraw/zinc/63/47/97/599634797.db2.gz SBSMUILFCOXOQF-GFCCVEGCSA-N -1 3 378.461 3.584 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000821407270 599648681 /nfs/dbraw/zinc/64/86/81/599648681.db2.gz QDTARTHSWATJBE-UHFFFAOYSA-N -1 3 390.447 3.626 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000821407270 599648682 /nfs/dbraw/zinc/64/86/82/599648682.db2.gz QDTARTHSWATJBE-UHFFFAOYSA-N -1 3 390.447 3.626 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820077071 599657196 /nfs/dbraw/zinc/65/71/96/599657196.db2.gz ZQMUHUKEIQAUOX-OAHLLOKOSA-N -1 3 395.463 3.698 20 0 GHADHM CCCCCC[C@H](C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821048947 599665186 /nfs/dbraw/zinc/66/51/86/599665186.db2.gz GYYUMWZXEMLXQE-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCCC[C@H](C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821048947 599665187 /nfs/dbraw/zinc/66/51/87/599665187.db2.gz GYYUMWZXEMLXQE-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823418699 599670038 /nfs/dbraw/zinc/67/00/38/599670038.db2.gz UPIHVMQVSNKTNW-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823418699 599670039 /nfs/dbraw/zinc/67/00/39/599670039.db2.gz UPIHVMQVSNKTNW-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820076659 599674621 /nfs/dbraw/zinc/67/46/21/599674621.db2.gz QMUDWNHPWKLRCP-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820076659 599674622 /nfs/dbraw/zinc/67/46/22/599674622.db2.gz QMUDWNHPWKLRCP-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823144926 599678320 /nfs/dbraw/zinc/67/83/20/599678320.db2.gz NAFQVTYWTSZJSM-KBAYOESNSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823144926 599678321 /nfs/dbraw/zinc/67/83/21/599678321.db2.gz NAFQVTYWTSZJSM-KBAYOESNSA-N -1 3 380.496 3.510 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820339872 599679850 /nfs/dbraw/zinc/67/98/50/599679850.db2.gz HOCUHECOTNECIO-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820339872 599679851 /nfs/dbraw/zinc/67/98/51/599679851.db2.gz HOCUHECOTNECIO-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340504 599680794 /nfs/dbraw/zinc/68/07/94/599680794.db2.gz LSGKTAJNEVLUTQ-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340504 599680795 /nfs/dbraw/zinc/68/07/95/599680795.db2.gz LSGKTAJNEVLUTQ-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340503 599680849 /nfs/dbraw/zinc/68/08/49/599680849.db2.gz LSGKTAJNEVLUTQ-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340503 599680850 /nfs/dbraw/zinc/68/08/50/599680850.db2.gz LSGKTAJNEVLUTQ-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CSc1ccc(F)cc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821983881 599686995 /nfs/dbraw/zinc/68/69/95/599686995.db2.gz KDIAFCDLBXCABL-UHFFFAOYSA-N -1 3 384.362 3.754 20 0 GHADHM CSc1ccc(F)cc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821983881 599686996 /nfs/dbraw/zinc/68/69/96/599686996.db2.gz KDIAFCDLBXCABL-UHFFFAOYSA-N -1 3 384.362 3.754 20 0 GHADHM Brc1ccc(-c2cnc(CNc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000819688129 599691450 /nfs/dbraw/zinc/69/14/50/599691450.db2.gz DLUUPKKSCLSBTL-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1ccc(-c2cnc(CNc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000819688129 599691451 /nfs/dbraw/zinc/69/14/51/599691451.db2.gz DLUUPKKSCLSBTL-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000823368337 599693893 /nfs/dbraw/zinc/69/38/93/599693893.db2.gz UYTGMKNEARENPP-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000823368337 599693894 /nfs/dbraw/zinc/69/38/94/599693894.db2.gz UYTGMKNEARENPP-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1c(C(=O)[O-])sc2[n-]c(C[NH2+][C@H]3CCCC[C@H]3C(C)(C)C)nc(=O)c12 ZINC000738291858 599712966 /nfs/dbraw/zinc/71/29/66/599712966.db2.gz RPJMNXPMCDEEIC-NEPJUHHUSA-N -1 3 377.510 3.686 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000736274060 599714083 /nfs/dbraw/zinc/71/40/83/599714083.db2.gz QJSBQDHYAHXTJA-HOTGVXAUSA-N -1 3 378.469 3.732 20 0 GHADHM Cc1c(C(=O)[O-])sc2[n-]c(C[N@H+](CC3CC3)C3CCCCC3)nc(=O)c12 ZINC000738288482 599773499 /nfs/dbraw/zinc/77/34/99/599773499.db2.gz CURZMHKLTUNGKM-UHFFFAOYSA-N -1 3 375.494 3.536 20 0 GHADHM Cc1c(C(=O)[O-])sc2[n-]c(C[N@@H+](CC3CC3)C3CCCCC3)nc(=O)c12 ZINC000738288482 599773501 /nfs/dbraw/zinc/77/35/01/599773501.db2.gz CURZMHKLTUNGKM-UHFFFAOYSA-N -1 3 375.494 3.536 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000820159835 607401382 /nfs/dbraw/zinc/40/13/82/607401382.db2.gz AJAXQBQFUVZAIY-UHFFFAOYSA-N -1 3 383.427 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000820159835 607401383 /nfs/dbraw/zinc/40/13/83/607401383.db2.gz AJAXQBQFUVZAIY-UHFFFAOYSA-N -1 3 383.427 3.709 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000826254019 607408489 /nfs/dbraw/zinc/40/84/89/607408489.db2.gz QAEKNZPMPHJKLV-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000826254019 607408490 /nfs/dbraw/zinc/40/84/90/607408490.db2.gz QAEKNZPMPHJKLV-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000736662914 600046633 /nfs/dbraw/zinc/04/66/33/600046633.db2.gz UTKKGBSMHJCAIW-OPAMFIHVSA-N -1 3 388.467 3.529 20 0 GHADHM CC(C)[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824193573 607417020 /nfs/dbraw/zinc/41/70/20/607417020.db2.gz ZWEWNKZFFQCJGT-IBGZPJMESA-N -1 3 375.476 3.802 20 0 GHADHM CC(C)[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824193573 607417021 /nfs/dbraw/zinc/41/70/21/607417021.db2.gz ZWEWNKZFFQCJGT-IBGZPJMESA-N -1 3 375.476 3.802 20 0 GHADHM Cc1ccc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)nc1 ZINC000822238387 607417112 /nfs/dbraw/zinc/41/71/12/607417112.db2.gz GEGDWTTVQFAXQL-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000822238387 607417113 /nfs/dbraw/zinc/41/71/13/607417113.db2.gz GEGDWTTVQFAXQL-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000652410044 600104635 /nfs/dbraw/zinc/10/46/35/600104635.db2.gz WEEYOLJCLWMNBO-SFHVURJKSA-N -1 3 381.407 3.881 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826407897 607424631 /nfs/dbraw/zinc/42/46/31/607424631.db2.gz GVPUPJYANJGRDM-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407897 607424633 /nfs/dbraw/zinc/42/46/33/607424633.db2.gz GVPUPJYANJGRDM-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM CN(C(=O)c1cc2c3ccccc3n(C)c2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826116 607433815 /nfs/dbraw/zinc/43/38/15/607433815.db2.gz WWNJWFMVDCJEHP-UHFFFAOYSA-N -1 3 388.456 3.850 20 0 GHADHM CN(C(=O)c1cc2c3ccccc3n(C)c2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826116 607433817 /nfs/dbraw/zinc/43/38/17/607433817.db2.gz WWNJWFMVDCJEHP-UHFFFAOYSA-N -1 3 388.456 3.850 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390435378 600379802 /nfs/dbraw/zinc/37/98/02/600379802.db2.gz RSKNPYBJULUNEM-CYBMUJFWSA-N -1 3 375.856 3.680 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1nc(-c2ccccc2)cs1 ZINC000826254558 607445489 /nfs/dbraw/zinc/44/54/89/607445489.db2.gz QUUOEJIDSWRBRO-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1nc(-c2ccccc2)cs1 ZINC000826254558 607445490 /nfs/dbraw/zinc/44/54/90/607445490.db2.gz QUUOEJIDSWRBRO-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000739405493 600508990 /nfs/dbraw/zinc/50/89/90/600508990.db2.gz UKOGWJGVWNNJKO-GOSISDBHSA-N -1 3 387.867 3.997 20 0 GHADHM Cc1cc2oc(=O)cc(CN(CCC(=O)[O-])C[C@@H]3CCCO3)c2cc1C(C)C ZINC000738487520 600511006 /nfs/dbraw/zinc/51/10/06/600511006.db2.gz YPMDOZXWFHKTCB-KRWDZBQOSA-N -1 3 387.476 3.681 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000737331388 600543142 /nfs/dbraw/zinc/54/31/42/600543142.db2.gz IQRUOABACBMXOQ-LJQANCHMSA-N -1 3 382.464 3.587 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825242077 607455287 /nfs/dbraw/zinc/45/52/87/607455287.db2.gz HTXYYEXQWJFNSE-LJQANCHMSA-N -1 3 390.491 3.566 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825242077 607455289 /nfs/dbraw/zinc/45/52/89/607455289.db2.gz HTXYYEXQWJFNSE-LJQANCHMSA-N -1 3 390.491 3.566 20 0 GHADHM COc1cccc2c1OC[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C2 ZINC000832576986 600746728 /nfs/dbraw/zinc/74/67/28/600746728.db2.gz ARMBMHUHIRBPAI-MLGOLLRUSA-N -1 3 382.243 3.721 20 0 GHADHM CCOc1ccc(-c2nc(COc3cc(-c4nnn[n-]4)ccc3C)co2)cc1 ZINC000821400983 607466459 /nfs/dbraw/zinc/46/64/59/607466459.db2.gz RLDWCXHVCCUPIX-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM CCOc1ccc(-c2nc(COc3cc(-c4nn[n-]n4)ccc3C)co2)cc1 ZINC000821400983 607466461 /nfs/dbraw/zinc/46/64/61/607466461.db2.gz RLDWCXHVCCUPIX-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM C[C@@H](CN[C@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Br)c1 ZINC000827502365 600758498 /nfs/dbraw/zinc/75/84/98/600758498.db2.gz KOFFLCQQCMDTMY-ZBEGNZNMSA-N -1 3 382.229 3.771 20 0 GHADHM COc1ccccc1[C@@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000573126992 600831553 /nfs/dbraw/zinc/83/15/53/600831553.db2.gz QOZWKQPCVSHYPR-OAHLLOKOSA-N -1 3 375.852 3.915 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830609197 601089526 /nfs/dbraw/zinc/08/95/26/601089526.db2.gz XTMXPEQBVVPKKK-UHFFFAOYSA-N -1 3 383.492 3.645 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000826054761 601205061 /nfs/dbraw/zinc/20/50/61/601205061.db2.gz QKQXEAULYUOTRN-SJKOYZFVSA-N -1 3 380.366 3.696 20 0 GHADHM COc1cccc(NC(=O)[C@H](NCC2(C(=O)[O-])CCCC2)c2ccccc2)c1 ZINC000832562667 601369015 /nfs/dbraw/zinc/36/90/15/601369015.db2.gz QCNPFFFPYSTJNV-LJQANCHMSA-N -1 3 382.460 3.610 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832890534 601650972 /nfs/dbraw/zinc/65/09/72/601650972.db2.gz HJYZCAVHYDTBRU-JTSKRJEESA-N -1 3 395.503 3.585 20 0 GHADHM Fc1ccc(NCc2cccc(COCC(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000826375159 607542819 /nfs/dbraw/zinc/54/28/19/607542819.db2.gz BOLMKLBAEOFKEV-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM Fc1ccc(NCc2cccc(COCC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000826375159 607542821 /nfs/dbraw/zinc/54/28/21/607542821.db2.gz BOLMKLBAEOFKEV-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM COc1cccc(-c2nc(CN[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)cs2)c1 ZINC000739942566 602096997 /nfs/dbraw/zinc/09/69/97/602096997.db2.gz KYMPOQCLQCTIJT-HIFRSBDPSA-N -1 3 375.494 3.687 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c(C(F)(F)F)c1 ZINC000832056467 602170235 /nfs/dbraw/zinc/17/02/35/602170235.db2.gz CXHQAHXPIHLUQZ-KRWDZBQOSA-N -1 3 399.365 3.647 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC[C@@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000833321064 602248970 /nfs/dbraw/zinc/24/89/70/602248970.db2.gz GXJDNXFBSGXYRU-GDBMZVCRSA-N -1 3 379.840 3.598 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NOCC(C)C ZINC000826271989 607560059 /nfs/dbraw/zinc/56/00/59/607560059.db2.gz QAHWPDLAWNJTGS-UHFFFAOYSA-N -1 3 382.424 3.677 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000829667037 602378720 /nfs/dbraw/zinc/37/87/20/602378720.db2.gz ZOQAMGRKIXMXPQ-MRXNPFEDSA-N -1 3 379.457 3.790 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Br)c1 ZINC000119714032 607570615 /nfs/dbraw/zinc/57/06/15/607570615.db2.gz IPFKQVKCYYGRFY-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(Br)c1 ZINC000119714032 607570617 /nfs/dbraw/zinc/57/06/17/607570617.db2.gz IPFKQVKCYYGRFY-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826441448 607578636 /nfs/dbraw/zinc/57/86/36/607578636.db2.gz FDPWFFBGBNVHFI-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826441448 607578638 /nfs/dbraw/zinc/57/86/38/607578638.db2.gz FDPWFFBGBNVHFI-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM Cc1nccn1-c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1F ZINC000830824643 603855573 /nfs/dbraw/zinc/85/55/73/603855573.db2.gz NXMGLOHSIXHOCK-UHFFFAOYSA-N -1 3 380.423 3.650 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000826246421 607670806 /nfs/dbraw/zinc/67/08/06/607670806.db2.gz CUNVQCNKHNHOQS-NSHDSACASA-N -1 3 375.354 3.685 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000826246421 607670808 /nfs/dbraw/zinc/67/08/08/607670808.db2.gz CUNVQCNKHNHOQS-NSHDSACASA-N -1 3 375.354 3.685 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000833731699 604526379 /nfs/dbraw/zinc/52/63/79/604526379.db2.gz CLYJXZFXJDYZPB-KXBFYZLASA-N -1 3 385.460 3.893 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)Cc2c(C)nn(CCC(=O)[O-])c2C)C12CCCCC2 ZINC000833661019 604664059 /nfs/dbraw/zinc/66/40/59/604664059.db2.gz RZZWNSZOGDMAFD-MOPGFXCFSA-N -1 3 377.529 3.534 20 0 GHADHM Cc1cc(COc2ccccc2-c2nnn[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267346 607708732 /nfs/dbraw/zinc/70/87/32/607708732.db2.gz BACPSQBOKAOKSR-UHFFFAOYSA-N -1 3 378.823 3.865 20 0 GHADHM Cc1cc(COc2ccccc2-c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267346 607708733 /nfs/dbraw/zinc/70/87/33/607708733.db2.gz BACPSQBOKAOKSR-UHFFFAOYSA-N -1 3 378.823 3.865 20 0 GHADHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1-c1cc(C)ccc1C ZINC000826284463 607712173 /nfs/dbraw/zinc/71/21/73/607712173.db2.gz UMRVLEIVQNHHHG-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1-c1cc(C)ccc1C ZINC000826284463 607712174 /nfs/dbraw/zinc/71/21/74/607712174.db2.gz UMRVLEIVQNHHHG-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM COc1cc(N[C@H]2CCCN(Cc3cc(C(=O)[O-])sc3C)C2)cc(OC)c1 ZINC000832025813 604799226 /nfs/dbraw/zinc/79/92/26/604799226.db2.gz DMUGWQMJMLOUMP-HNNXBMFYSA-N -1 3 390.505 3.848 20 0 GHADHM C[C@@]1(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833569211 604813461 /nfs/dbraw/zinc/81/34/61/604813461.db2.gz KKTFCBBJOYVZIK-CXAGYDPISA-N -1 3 383.370 3.879 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000827687444 605007996 /nfs/dbraw/zinc/00/79/96/605007996.db2.gz MGYLPCZWZZSJKS-KBXCAEBGSA-N -1 3 385.464 3.583 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737644671 605123019 /nfs/dbraw/zinc/12/30/19/605123019.db2.gz WOSNISKSBJXIHX-CABCVRRESA-N -1 3 378.538 3.549 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000833415677 605178585 /nfs/dbraw/zinc/17/85/85/605178585.db2.gz UXSUWHQVJYSATF-INIZCTEOSA-N -1 3 397.443 3.625 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000833415493 605178590 /nfs/dbraw/zinc/17/85/90/605178590.db2.gz WBPGTYDSUVUJPO-LJQANCHMSA-N -1 3 384.501 3.567 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824353094 607745513 /nfs/dbraw/zinc/74/55/13/607745513.db2.gz XQDAYVZCTVDZCA-OAHLLOKOSA-N -1 3 379.464 3.636 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353094 607745514 /nfs/dbraw/zinc/74/55/14/607745514.db2.gz XQDAYVZCTVDZCA-OAHLLOKOSA-N -1 3 379.464 3.636 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC000825538440 607757710 /nfs/dbraw/zinc/75/77/10/607757710.db2.gz HGLPCFWOUWVOII-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000825538440 607757711 /nfs/dbraw/zinc/75/77/11/607757711.db2.gz HGLPCFWOUWVOII-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824915014 607758337 /nfs/dbraw/zinc/75/83/37/607758337.db2.gz BEAIKYKNCHORSE-BIENJYKASA-N -1 3 376.464 3.866 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824915014 607758338 /nfs/dbraw/zinc/75/83/38/607758338.db2.gz BEAIKYKNCHORSE-BIENJYKASA-N -1 3 376.464 3.866 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2CCC(C)(C)CC2)cc1-c1nnn[n-]1 ZINC000825531391 607760971 /nfs/dbraw/zinc/76/09/71/607760971.db2.gz JRMWVBREALPNOZ-UHFFFAOYSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2CCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC000825531391 607760972 /nfs/dbraw/zinc/76/09/72/607760972.db2.gz JRMWVBREALPNOZ-UHFFFAOYSA-N -1 3 386.456 3.590 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)no1 ZINC000824129697 607769390 /nfs/dbraw/zinc/76/93/90/607769390.db2.gz DZYRPZMYNWXJQD-UHFFFAOYSA-N -1 3 395.448 3.528 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)no1 ZINC000824129697 607769391 /nfs/dbraw/zinc/76/93/91/607769391.db2.gz DZYRPZMYNWXJQD-UHFFFAOYSA-N -1 3 395.448 3.528 20 0 GHADHM C[C@@H]1CN([C@@H](CNCc2cc(C(=O)[O-])ccc2Cl)c2cccs2)CCO1 ZINC000833625845 605831970 /nfs/dbraw/zinc/83/19/70/605831970.db2.gz NIGOFFLLMPEIER-DYVFJYSZSA-N -1 3 394.924 3.651 20 0 GHADHM CCO[C@@H](CCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)C ZINC000821350630 606030400 /nfs/dbraw/zinc/03/04/00/606030400.db2.gz ADNINABWHIIITM-FQEVSTJZSA-N -1 3 393.491 3.715 20 0 GHADHM CCO[C@@H](CCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C(C)C ZINC000821350630 606030404 /nfs/dbraw/zinc/03/04/04/606030404.db2.gz ADNINABWHIIITM-FQEVSTJZSA-N -1 3 393.491 3.715 20 0 GHADHM CC[C@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)C1CCOCC1 ZINC000820926206 606041940 /nfs/dbraw/zinc/04/19/40/606041940.db2.gz QRDOWYPCAXKZAK-HNNXBMFYSA-N -1 3 391.479 3.593 20 0 GHADHM CC[C@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)C1CCOCC1 ZINC000820926206 606041944 /nfs/dbraw/zinc/04/19/44/606041944.db2.gz QRDOWYPCAXKZAK-HNNXBMFYSA-N -1 3 391.479 3.593 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821616674 606045154 /nfs/dbraw/zinc/04/51/54/606045154.db2.gz BKUXWIZPRLDTHW-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821616674 606045161 /nfs/dbraw/zinc/04/51/61/606045161.db2.gz BKUXWIZPRLDTHW-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820989481 606053373 /nfs/dbraw/zinc/05/33/73/606053373.db2.gz UIPFIRRHSRCZGL-YLJYHZDGSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820989481 606053379 /nfs/dbraw/zinc/05/33/79/606053379.db2.gz UIPFIRRHSRCZGL-YLJYHZDGSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717285 606109971 /nfs/dbraw/zinc/10/99/71/606109971.db2.gz OXRONMYWFVNSRY-ORAYPTAESA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717285 606109972 /nfs/dbraw/zinc/10/99/72/606109972.db2.gz OXRONMYWFVNSRY-ORAYPTAESA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339297 606117241 /nfs/dbraw/zinc/11/72/41/606117241.db2.gz BIYUCIRZRQFZLR-ZDUSSCGKSA-N -1 3 376.420 3.516 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339297 606117243 /nfs/dbraw/zinc/11/72/43/606117243.db2.gz BIYUCIRZRQFZLR-ZDUSSCGKSA-N -1 3 376.420 3.516 20 0 GHADHM COc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000821911513 606148223 /nfs/dbraw/zinc/14/82/23/606148223.db2.gz WAZQUODJEWSYHZ-UHFFFAOYSA-N -1 3 375.479 3.520 20 0 GHADHM COc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000821911513 606148225 /nfs/dbraw/zinc/14/82/25/606148225.db2.gz WAZQUODJEWSYHZ-UHFFFAOYSA-N -1 3 375.479 3.520 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC000820380655 606161589 /nfs/dbraw/zinc/16/15/89/606161589.db2.gz XXWQILBHOIOAQS-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC000820380655 606161591 /nfs/dbraw/zinc/16/15/91/606161591.db2.gz XXWQILBHOIOAQS-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CCc1cnc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)s1 ZINC000821496435 606164389 /nfs/dbraw/zinc/16/43/89/606164389.db2.gz GAAUQNTUGJTOAE-UHFFFAOYSA-N -1 3 385.884 3.724 20 0 GHADHM CCc1cnc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)s1 ZINC000821496435 606164391 /nfs/dbraw/zinc/16/43/91/606164391.db2.gz GAAUQNTUGJTOAE-UHFFFAOYSA-N -1 3 385.884 3.724 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000822744204 606165138 /nfs/dbraw/zinc/16/51/38/606165138.db2.gz OIHDYEOTRJVTDK-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823257154 606197411 /nfs/dbraw/zinc/19/74/11/606197411.db2.gz CCURNSKXPVVZRO-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823257154 606197412 /nfs/dbraw/zinc/19/74/12/606197412.db2.gz CCURNSKXPVVZRO-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM Cc1cn2nc(Oc3ccc(Oc4ccc(-c5nnn[n-]5)cc4)cc3)sc2n1 ZINC000822389137 606241892 /nfs/dbraw/zinc/24/18/92/606241892.db2.gz MJXQPFFTCNJCAB-UHFFFAOYSA-N -1 3 391.416 3.864 20 0 GHADHM Cc1cn2nc(Oc3ccc(Oc4ccc(-c5nn[n-]n5)cc4)cc3)sc2n1 ZINC000822389137 606241895 /nfs/dbraw/zinc/24/18/95/606241895.db2.gz MJXQPFFTCNJCAB-UHFFFAOYSA-N -1 3 391.416 3.864 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@@H](c2cc(-c3nnn[n-]3)cs2)N1CC1CC1 ZINC000823551494 606245826 /nfs/dbraw/zinc/24/58/26/606245826.db2.gz SOTLFAWHWBWYHI-MRXNPFEDSA-N -1 3 386.868 3.558 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@@H](c2cc(-c3nn[n-]n3)cs2)N1CC1CC1 ZINC000823551494 606245827 /nfs/dbraw/zinc/24/58/27/606245827.db2.gz SOTLFAWHWBWYHI-MRXNPFEDSA-N -1 3 386.868 3.558 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821717190 606269605 /nfs/dbraw/zinc/26/96/05/606269605.db2.gz KAVLMWGFZNATEY-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821717190 606269606 /nfs/dbraw/zinc/26/96/06/606269606.db2.gz KAVLMWGFZNATEY-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640233 606301186 /nfs/dbraw/zinc/30/11/86/606301186.db2.gz DGEWINZITPUVFP-IFXJQAMLSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640233 606301188 /nfs/dbraw/zinc/30/11/88/606301188.db2.gz DGEWINZITPUVFP-IFXJQAMLSA-N -1 3 393.491 3.729 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821427053 606312806 /nfs/dbraw/zinc/31/28/06/606312806.db2.gz MSSHNXYDPFHJRX-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821427053 606312807 /nfs/dbraw/zinc/31/28/07/606312807.db2.gz MSSHNXYDPFHJRX-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820678662 606344118 /nfs/dbraw/zinc/34/41/18/606344118.db2.gz WXZKEXVMBMQKNZ-SUNKGSAMSA-N -1 3 392.410 3.653 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820678662 606344120 /nfs/dbraw/zinc/34/41/20/606344120.db2.gz WXZKEXVMBMQKNZ-SUNKGSAMSA-N -1 3 392.410 3.653 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512114 606349510 /nfs/dbraw/zinc/34/95/10/606349510.db2.gz HKCYLEJBKVWVQE-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512114 606349512 /nfs/dbraw/zinc/34/95/12/606349512.db2.gz HKCYLEJBKVWVQE-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823344026 606351854 /nfs/dbraw/zinc/35/18/54/606351854.db2.gz OGEUZOCBGQKDTI-CYBMUJFWSA-N -1 3 398.467 3.652 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823344026 606351856 /nfs/dbraw/zinc/35/18/56/606351856.db2.gz OGEUZOCBGQKDTI-CYBMUJFWSA-N -1 3 398.467 3.652 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000819950734 606352046 /nfs/dbraw/zinc/35/20/46/606352046.db2.gz MFFRLPOGXDDHEO-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000819950734 606352047 /nfs/dbraw/zinc/35/20/47/606352047.db2.gz MFFRLPOGXDDHEO-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820921273 606352487 /nfs/dbraw/zinc/35/24/87/606352487.db2.gz XRXLPDGNHNMQKK-JTQLQIEISA-N -1 3 380.836 3.994 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820921273 606352489 /nfs/dbraw/zinc/35/24/89/606352489.db2.gz XRXLPDGNHNMQKK-JTQLQIEISA-N -1 3 380.836 3.994 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819950262 606357223 /nfs/dbraw/zinc/35/72/23/606357223.db2.gz GXVQQNAXTLAMNN-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819950262 606357225 /nfs/dbraw/zinc/35/72/25/606357225.db2.gz GXVQQNAXTLAMNN-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938012 606399345 /nfs/dbraw/zinc/39/93/45/606399345.db2.gz GLONUOHYYOLMAO-QGZVFWFLSA-N -1 3 381.461 3.579 20 0 GHADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938012 606399347 /nfs/dbraw/zinc/39/93/47/606399347.db2.gz GLONUOHYYOLMAO-QGZVFWFLSA-N -1 3 381.461 3.579 20 0 GHADHM CN(C(=O)c1cccc(Br)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574522 606414484 /nfs/dbraw/zinc/41/44/84/606414484.db2.gz KGIBENDZGPLCSJ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cccc(Br)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574522 606414485 /nfs/dbraw/zinc/41/44/85/606414485.db2.gz KGIBENDZGPLCSJ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821882987 606418788 /nfs/dbraw/zinc/41/87/88/606418788.db2.gz PFBCDFUZCJLNRG-IBGZPJMESA-N -1 3 377.473 3.816 20 0 GHADHM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821882987 606418790 /nfs/dbraw/zinc/41/87/90/606418790.db2.gz PFBCDFUZCJLNRG-IBGZPJMESA-N -1 3 377.473 3.816 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820494900 606436634 /nfs/dbraw/zinc/43/66/34/606436634.db2.gz CTRHPGOUOJGUCP-QWHCGFSZSA-N -1 3 393.472 3.754 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820494900 606436636 /nfs/dbraw/zinc/43/66/36/606436636.db2.gz CTRHPGOUOJGUCP-QWHCGFSZSA-N -1 3 393.472 3.754 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1cccnc1 ZINC000822204047 606444830 /nfs/dbraw/zinc/44/48/30/606444830.db2.gz BMPYXBRWTCXTHC-QGZVFWFLSA-N -1 3 375.411 3.599 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1cccnc1 ZINC000822204047 606444832 /nfs/dbraw/zinc/44/48/32/606444832.db2.gz BMPYXBRWTCXTHC-QGZVFWFLSA-N -1 3 375.411 3.599 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4c(-c5nnn[n-]5)cnc5ccccc54)C3)nc2c1 ZINC000823802064 606453589 /nfs/dbraw/zinc/45/35/89/606453589.db2.gz HGZRBSTUGFVTHS-CQSZACIVSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4c(-c5nn[n-]n5)cnc5ccccc54)C3)nc2c1 ZINC000823802064 606453590 /nfs/dbraw/zinc/45/35/90/606453590.db2.gz HGZRBSTUGFVTHS-CQSZACIVSA-N -1 3 397.442 3.940 20 0 GHADHM CCOc1ccc(Br)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821416588 606457057 /nfs/dbraw/zinc/45/70/57/606457057.db2.gz AYUIMZDTERFPNS-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1ccc(Br)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821416588 606457058 /nfs/dbraw/zinc/45/70/58/606457058.db2.gz AYUIMZDTERFPNS-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CNC(=O)c1cc(C)ccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821634980 606462984 /nfs/dbraw/zinc/46/29/84/606462984.db2.gz FEMVBEVBBGUMBE-UHFFFAOYSA-N -1 3 398.470 3.814 20 0 GHADHM CNC(=O)c1cc(C)ccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821634980 606462986 /nfs/dbraw/zinc/46/29/86/606462986.db2.gz FEMVBEVBBGUMBE-UHFFFAOYSA-N -1 3 398.470 3.814 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367007 606477603 /nfs/dbraw/zinc/47/76/03/606477603.db2.gz CUBQZPODAZAFIZ-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367007 606477605 /nfs/dbraw/zinc/47/76/05/606477605.db2.gz CUBQZPODAZAFIZ-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375866 606482671 /nfs/dbraw/zinc/48/26/71/606482671.db2.gz NETQQLLSBSMCMG-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375866 606482673 /nfs/dbraw/zinc/48/26/73/606482673.db2.gz NETQQLLSBSMCMG-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000823103771 606486113 /nfs/dbraw/zinc/48/61/13/606486113.db2.gz LCEAQAWKONBVJZ-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000823103771 606486114 /nfs/dbraw/zinc/48/61/14/606486114.db2.gz LCEAQAWKONBVJZ-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC000822214286 606495425 /nfs/dbraw/zinc/49/54/25/606495425.db2.gz YIIUVOJCEIYGAE-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC000822214286 606495427 /nfs/dbraw/zinc/49/54/27/606495427.db2.gz YIIUVOJCEIYGAE-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000823087302 606495812 /nfs/dbraw/zinc/49/58/12/606495812.db2.gz NVOXLITYBVWSAB-UHFFFAOYSA-N -1 3 393.466 3.910 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000823087302 606495814 /nfs/dbraw/zinc/49/58/14/606495814.db2.gz NVOXLITYBVWSAB-UHFFFAOYSA-N -1 3 393.466 3.910 20 0 GHADHM Cn1cccc1[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822693976 606510086 /nfs/dbraw/zinc/51/00/86/606510086.db2.gz PYFWRJYYAVEWTG-MRXNPFEDSA-N -1 3 388.422 3.534 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000823466248 606515272 /nfs/dbraw/zinc/51/52/72/606515272.db2.gz IBZRWHZWCXJTOZ-UHFFFAOYSA-N -1 3 387.896 3.677 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000823466248 606515273 /nfs/dbraw/zinc/51/52/73/606515273.db2.gz IBZRWHZWCXJTOZ-UHFFFAOYSA-N -1 3 387.896 3.677 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822945413 606523640 /nfs/dbraw/zinc/52/36/40/606523640.db2.gz DOJFDYLSBUEVHI-RQOWECAXSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822945413 606523641 /nfs/dbraw/zinc/52/36/41/606523641.db2.gz DOJFDYLSBUEVHI-RQOWECAXSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1cccs1)CC(F)(F)F ZINC000822929395 606524673 /nfs/dbraw/zinc/52/46/73/606524673.db2.gz UBQLYAHYOAFHGG-BQYQJAHWSA-N -1 3 393.394 3.533 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1cccs1)CC(F)(F)F ZINC000822929395 606524675 /nfs/dbraw/zinc/52/46/75/606524675.db2.gz UBQLYAHYOAFHGG-BQYQJAHWSA-N -1 3 393.394 3.533 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000819764150 606529833 /nfs/dbraw/zinc/52/98/33/606529833.db2.gz FXJIYTMFQGMIDJ-RAXLEYEMSA-N -1 3 381.411 3.835 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000819764150 606529835 /nfs/dbraw/zinc/52/98/35/606529835.db2.gz FXJIYTMFQGMIDJ-RAXLEYEMSA-N -1 3 381.411 3.835 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000823472505 606540713 /nfs/dbraw/zinc/54/07/13/606540713.db2.gz OXFRXNMFMUOOHJ-CYBMUJFWSA-N -1 3 393.394 3.924 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000823472505 606540714 /nfs/dbraw/zinc/54/07/14/606540714.db2.gz OXFRXNMFMUOOHJ-CYBMUJFWSA-N -1 3 393.394 3.924 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1(C)CC1 ZINC000820308125 606552303 /nfs/dbraw/zinc/55/23/03/606552303.db2.gz RLIZTXRTPOFGLC-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1(C)CC1 ZINC000820308125 606552305 /nfs/dbraw/zinc/55/23/05/606552305.db2.gz RLIZTXRTPOFGLC-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000823161613 606587613 /nfs/dbraw/zinc/58/76/13/606587613.db2.gz OWHIWOIHJMXFFY-KRWDZBQOSA-N -1 3 389.484 3.685 20 0 GHADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000823161613 606587615 /nfs/dbraw/zinc/58/76/15/606587615.db2.gz OWHIWOIHJMXFFY-KRWDZBQOSA-N -1 3 389.484 3.685 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823235519 606588413 /nfs/dbraw/zinc/58/84/13/606588413.db2.gz VXFIBIPYVKMZGU-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823235519 606588415 /nfs/dbraw/zinc/58/84/15/606588415.db2.gz VXFIBIPYVKMZGU-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2ccccc21 ZINC000822731917 606589766 /nfs/dbraw/zinc/58/97/66/606589766.db2.gz DWUBGZMONDWOCQ-UHFFFAOYSA-N -1 3 386.387 3.704 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2ccccc21 ZINC000822731917 606589769 /nfs/dbraw/zinc/58/97/69/606589769.db2.gz DWUBGZMONDWOCQ-UHFFFAOYSA-N -1 3 386.387 3.704 20 0 GHADHM CCCCC[C@@H](C)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821050960 606592512 /nfs/dbraw/zinc/59/25/12/606592512.db2.gz VXVRGALUYLZQNC-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCC[C@@H](C)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821050960 606592515 /nfs/dbraw/zinc/59/25/15/606592515.db2.gz VXVRGALUYLZQNC-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1OC(F)F ZINC000819764164 606601627 /nfs/dbraw/zinc/60/16/27/606601627.db2.gz GHLRGBCVURVQSZ-XFXZXTDPSA-N -1 3 385.374 3.819 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1OC(F)F ZINC000819764164 606601628 /nfs/dbraw/zinc/60/16/28/606601628.db2.gz GHLRGBCVURVQSZ-XFXZXTDPSA-N -1 3 385.374 3.819 20 0 GHADHM CC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819764544 606601701 /nfs/dbraw/zinc/60/17/01/606601701.db2.gz JEJPGWWXCLUDMI-ACCUITESSA-N -1 3 399.401 3.530 20 0 GHADHM CC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819764544 606601702 /nfs/dbraw/zinc/60/17/02/606601702.db2.gz JEJPGWWXCLUDMI-ACCUITESSA-N -1 3 399.401 3.530 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314006 606619992 /nfs/dbraw/zinc/61/99/92/606619992.db2.gz GSWQHVKQFHSCLZ-ZDUSSCGKSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314006 606619993 /nfs/dbraw/zinc/61/99/93/606619993.db2.gz GSWQHVKQFHSCLZ-ZDUSSCGKSA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819987846 606620140 /nfs/dbraw/zinc/62/01/40/606620140.db2.gz OHLDUAUBVHVJOX-UHFFFAOYSA-N -1 3 387.846 3.544 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819987846 606620142 /nfs/dbraw/zinc/62/01/42/606620142.db2.gz OHLDUAUBVHVJOX-UHFFFAOYSA-N -1 3 387.846 3.544 20 0 GHADHM Clc1cccc(COc2cncc(NCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000822585519 606656716 /nfs/dbraw/zinc/65/67/16/606656716.db2.gz BXNGVISRBAEFCZ-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM Clc1cccc(COc2cncc(NCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000822585519 606656717 /nfs/dbraw/zinc/65/67/17/606656717.db2.gz BXNGVISRBAEFCZ-UHFFFAOYSA-N -1 3 393.838 3.501 20 0 GHADHM O=C(Cc1cccc(F)c1F)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823111969 606664730 /nfs/dbraw/zinc/66/47/30/606664730.db2.gz PWJZZMFEACJYHK-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(Cc1cccc(F)c1F)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823111969 606664731 /nfs/dbraw/zinc/66/47/31/606664731.db2.gz PWJZZMFEACJYHK-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147912 606670354 /nfs/dbraw/zinc/67/03/54/606670354.db2.gz LAGLUXPHRYHZCZ-RYGJVYDSSA-N -1 3 375.476 3.655 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147912 606670355 /nfs/dbraw/zinc/67/03/55/606670355.db2.gz LAGLUXPHRYHZCZ-RYGJVYDSSA-N -1 3 375.476 3.655 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000821465040 606674271 /nfs/dbraw/zinc/67/42/71/606674271.db2.gz AECHGFAGNUKGBG-UHFFFAOYSA-N -1 3 396.501 3.790 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000821465040 606674272 /nfs/dbraw/zinc/67/42/72/606674272.db2.gz AECHGFAGNUKGBG-UHFFFAOYSA-N -1 3 396.501 3.790 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820589106 606675283 /nfs/dbraw/zinc/67/52/83/606675283.db2.gz ADRKMTUGMHYRRS-MRXNPFEDSA-N -1 3 383.402 3.687 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820589106 606675284 /nfs/dbraw/zinc/67/52/84/606675284.db2.gz ADRKMTUGMHYRRS-MRXNPFEDSA-N -1 3 383.402 3.687 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)ns1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823290645 606680328 /nfs/dbraw/zinc/68/03/28/606680328.db2.gz ZVROOUQUNDBUPW-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)ns1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823290645 606680329 /nfs/dbraw/zinc/68/03/29/606680329.db2.gz ZVROOUQUNDBUPW-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822234011 606681900 /nfs/dbraw/zinc/68/19/00/606681900.db2.gz ZSLKSIVPXHCYIG-OAHLLOKOSA-N -1 3 387.390 3.804 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822234011 606681901 /nfs/dbraw/zinc/68/19/01/606681901.db2.gz ZSLKSIVPXHCYIG-OAHLLOKOSA-N -1 3 387.390 3.804 20 0 GHADHM C[C@@]1(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000820570020 606682507 /nfs/dbraw/zinc/68/25/07/606682507.db2.gz BTMWAJQUOFGAIP-FQEVSTJZSA-N -1 3 397.866 3.622 20 0 GHADHM C[C@@]1(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000820570020 606682508 /nfs/dbraw/zinc/68/25/08/606682508.db2.gz BTMWAJQUOFGAIP-FQEVSTJZSA-N -1 3 397.866 3.622 20 0 GHADHM C[C@H](OC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519520 606684928 /nfs/dbraw/zinc/68/49/28/606684928.db2.gz VROPXQAEHRTQPL-ZDUSSCGKSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@H](OC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519520 606684929 /nfs/dbraw/zinc/68/49/29/606684929.db2.gz VROPXQAEHRTQPL-ZDUSSCGKSA-N -1 3 391.456 3.832 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c(C)n1 ZINC000822254692 606692889 /nfs/dbraw/zinc/69/28/89/606692889.db2.gz OXLWLWRKIIWIIV-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)n1 ZINC000822254692 606692890 /nfs/dbraw/zinc/69/28/90/606692890.db2.gz OXLWLWRKIIWIIV-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000822979061 606693918 /nfs/dbraw/zinc/69/39/18/606693918.db2.gz WBZAIIZOAROIMF-OAQYLSRUSA-N -1 3 393.466 3.986 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000822979061 606693919 /nfs/dbraw/zinc/69/39/19/606693919.db2.gz WBZAIIZOAROIMF-OAQYLSRUSA-N -1 3 393.466 3.986 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(Br)s1 ZINC000822175885 606717207 /nfs/dbraw/zinc/71/72/07/606717207.db2.gz BBTYSYOSBYGHQH-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(Br)s1 ZINC000822175885 606717209 /nfs/dbraw/zinc/71/72/09/606717209.db2.gz BBTYSYOSBYGHQH-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM CC(C)CC1(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCC1 ZINC000820061890 606754980 /nfs/dbraw/zinc/75/49/80/606754980.db2.gz HEIIONLHWYPFQA-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC(C)CC1(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCC1 ZINC000820061890 606754982 /nfs/dbraw/zinc/75/49/82/606754982.db2.gz HEIIONLHWYPFQA-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971246 606787495 /nfs/dbraw/zinc/78/74/95/606787495.db2.gz AEDUGDLPEUEYSN-MAUKXSAKSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971246 606787497 /nfs/dbraw/zinc/78/74/97/606787497.db2.gz AEDUGDLPEUEYSN-MAUKXSAKSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820973224 606790486 /nfs/dbraw/zinc/79/04/86/606790486.db2.gz VDZLECDPVIAODA-YJBOKZPZSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820973224 606790488 /nfs/dbraw/zinc/79/04/88/606790488.db2.gz VDZLECDPVIAODA-YJBOKZPZSA-N -1 3 379.420 3.555 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000822136583 606792729 /nfs/dbraw/zinc/79/27/29/606792729.db2.gz MLBZOJPAHLMAFN-FUHWJXTLSA-N -1 3 375.432 3.592 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000822136583 606792731 /nfs/dbraw/zinc/79/27/31/606792731.db2.gz MLBZOJPAHLMAFN-FUHWJXTLSA-N -1 3 375.432 3.592 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230394 606807439 /nfs/dbraw/zinc/80/74/39/606807439.db2.gz FJTOENWERLAUCJ-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230394 606807442 /nfs/dbraw/zinc/80/74/42/606807442.db2.gz FJTOENWERLAUCJ-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM O=C(NC[C@H]1CCCS1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823176695 606811923 /nfs/dbraw/zinc/81/19/23/606811923.db2.gz WUCWUIQGVCXFKQ-CYBMUJFWSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(NC[C@H]1CCCS1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823176695 606811925 /nfs/dbraw/zinc/81/19/25/606811925.db2.gz WUCWUIQGVCXFKQ-CYBMUJFWSA-N -1 3 397.529 3.643 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1F ZINC000821389339 606845047 /nfs/dbraw/zinc/84/50/47/606845047.db2.gz JNNAGVQKRNCXQB-UHFFFAOYSA-N -1 3 398.728 3.555 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(F)c(F)c1F ZINC000821389339 606845049 /nfs/dbraw/zinc/84/50/49/606845049.db2.gz JNNAGVQKRNCXQB-UHFFFAOYSA-N -1 3 398.728 3.555 20 0 GHADHM Cc1noc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)c1C ZINC000822146822 606850163 /nfs/dbraw/zinc/85/01/63/606850163.db2.gz ZWWXORVXPDIKHA-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM Cc1noc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)c1C ZINC000822146822 606850165 /nfs/dbraw/zinc/85/01/65/606850165.db2.gz ZWWXORVXPDIKHA-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000822728327 606923378 /nfs/dbraw/zinc/92/33/78/606923378.db2.gz HHTHGRPQPJIBJO-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000822728327 606923379 /nfs/dbraw/zinc/92/33/79/606923379.db2.gz HHTHGRPQPJIBJO-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Fc1ccccc1[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000822796069 606931637 /nfs/dbraw/zinc/93/16/37/606931637.db2.gz LTMSMWIVJKMAHR-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccccc1[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000822796069 606931639 /nfs/dbraw/zinc/93/16/39/606931639.db2.gz LTMSMWIVJKMAHR-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCO[C@H](c4ccsc4)C3)c2c1 ZINC000822194970 606949064 /nfs/dbraw/zinc/94/90/64/606949064.db2.gz BSGJTTKLFVVJBS-KRWDZBQOSA-N -1 3 392.488 3.671 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCO[C@H](c4ccsc4)C3)c2c1 ZINC000822194970 606949065 /nfs/dbraw/zinc/94/90/65/606949065.db2.gz BSGJTTKLFVVJBS-KRWDZBQOSA-N -1 3 392.488 3.671 20 0 GHADHM C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820495595 606951973 /nfs/dbraw/zinc/95/19/73/606951973.db2.gz IMNJNNKWZJTYHV-AWEZNQCLSA-N -1 3 395.463 3.676 20 0 GHADHM C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820495595 606951975 /nfs/dbraw/zinc/95/19/75/606951975.db2.gz IMNJNNKWZJTYHV-AWEZNQCLSA-N -1 3 395.463 3.676 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C(C)C ZINC000821762196 606953067 /nfs/dbraw/zinc/95/30/67/606953067.db2.gz IFBKIZCARBBZTF-IBGZPJMESA-N -1 3 392.463 3.663 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C(C)C ZINC000821762196 606953069 /nfs/dbraw/zinc/95/30/69/606953069.db2.gz IFBKIZCARBBZTF-IBGZPJMESA-N -1 3 392.463 3.663 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820950754 606957941 /nfs/dbraw/zinc/95/79/41/606957941.db2.gz RZOMBLVXORKKFV-OAQYLSRUSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820950754 606957942 /nfs/dbraw/zinc/95/79/42/606957942.db2.gz RZOMBLVXORKKFV-OAQYLSRUSA-N -1 3 377.448 3.921 20 0 GHADHM CSC=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000821956201 606957968 /nfs/dbraw/zinc/95/79/68/606957968.db2.gz JMNJFAMTDLCKBY-GQYWMQPJSA-N -1 3 377.539 3.894 20 0 GHADHM CS/C=C\C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000821956201 606957969 /nfs/dbraw/zinc/95/79/69/606957969.db2.gz JMNJFAMTDLCKBY-GQYWMQPJSA-N -1 3 377.539 3.894 20 0 GHADHM CN(C(=O)CSCc1ccc(F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570666 606960890 /nfs/dbraw/zinc/96/08/90/606960890.db2.gz GHEGVKZGSRZUHO-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM CN(C(=O)CSCc1ccc(F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570666 606960892 /nfs/dbraw/zinc/96/08/92/606960892.db2.gz GHEGVKZGSRZUHO-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000820197837 606962443 /nfs/dbraw/zinc/96/24/43/606962443.db2.gz NUZZUSCUAXIHKS-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000820197837 606962444 /nfs/dbraw/zinc/96/24/44/606962444.db2.gz NUZZUSCUAXIHKS-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)(C)[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000819899351 606965160 /nfs/dbraw/zinc/96/51/60/606965160.db2.gz SKEBACWGUAUJRB-GOSISDBHSA-N -1 3 385.418 3.591 20 0 GHADHM CC(C)(C)[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000819899351 606965161 /nfs/dbraw/zinc/96/51/61/606965161.db2.gz SKEBACWGUAUJRB-GOSISDBHSA-N -1 3 385.418 3.591 20 0 GHADHM CN(C(=O)c1cc(Br)ccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821573225 606971983 /nfs/dbraw/zinc/97/19/83/606971983.db2.gz GNODLHHXJOCOIU-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cc(Br)ccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821573225 606971985 /nfs/dbraw/zinc/97/19/85/606971985.db2.gz GNODLHHXJOCOIU-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820533824 606974667 /nfs/dbraw/zinc/97/46/67/606974667.db2.gz GZQMXVZFUASKQX-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820533824 606974670 /nfs/dbraw/zinc/97/46/70/606974670.db2.gz GZQMXVZFUASKQX-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822207384 606987316 /nfs/dbraw/zinc/98/73/16/606987316.db2.gz UOJLSBYHLOYXEE-INIZCTEOSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822207384 606987317 /nfs/dbraw/zinc/98/73/17/606987317.db2.gz UOJLSBYHLOYXEE-INIZCTEOSA-N -1 3 390.491 3.735 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1occc1COc1ccccc1 ZINC000823426451 606992739 /nfs/dbraw/zinc/99/27/39/606992739.db2.gz JGDHFBSIQRUHCO-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1occc1COc1ccccc1 ZINC000823426451 606992740 /nfs/dbraw/zinc/99/27/40/606992740.db2.gz JGDHFBSIQRUHCO-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000822345392 606999052 /nfs/dbraw/zinc/99/90/52/606999052.db2.gz HWSIFVWYGQPAGP-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000822345392 606999053 /nfs/dbraw/zinc/99/90/53/606999053.db2.gz HWSIFVWYGQPAGP-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555620 607011811 /nfs/dbraw/zinc/01/18/11/607011811.db2.gz OCVOEANCKTYMEQ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555620 607011812 /nfs/dbraw/zinc/01/18/12/607011812.db2.gz OCVOEANCKTYMEQ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM COc1ccccc1NC(=O)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821899451 607012042 /nfs/dbraw/zinc/01/20/42/607012042.db2.gz ZBYDLVHWHQEOAY-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821899451 607012044 /nfs/dbraw/zinc/01/20/44/607012044.db2.gz ZBYDLVHWHQEOAY-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820214535 607022365 /nfs/dbraw/zinc/02/23/65/607022365.db2.gz HKRGSSIUSJVKCB-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820112651 607023611 /nfs/dbraw/zinc/02/36/11/607023611.db2.gz ZSWCDCORAFLINX-UHFFFAOYSA-N -1 3 394.479 3.507 20 0 GHADHM C[C@H]1CC[C@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820685233 607027177 /nfs/dbraw/zinc/02/71/77/607027177.db2.gz TXNQKSGLFOPVRV-JSGCOSHPSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@H]1CC[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820685233 607027178 /nfs/dbraw/zinc/02/71/78/607027178.db2.gz TXNQKSGLFOPVRV-JSGCOSHPSA-N -1 3 381.402 3.584 20 0 GHADHM CN(Cc1cc(Br)ccc1F)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821607661 607060890 /nfs/dbraw/zinc/06/08/90/607060890.db2.gz YKVWOXJPWZQODN-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000821105193 607072716 /nfs/dbraw/zinc/07/27/16/607072716.db2.gz YGJMAYJBAKGHJU-UHFFFAOYSA-N -1 3 391.435 3.760 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000821105193 607072718 /nfs/dbraw/zinc/07/27/18/607072718.db2.gz YGJMAYJBAKGHJU-UHFFFAOYSA-N -1 3 391.435 3.760 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820914558 607094234 /nfs/dbraw/zinc/09/42/34/607094234.db2.gz OYZKOMGFXNZOHA-KRWDZBQOSA-N -1 3 394.479 3.750 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820914558 607094235 /nfs/dbraw/zinc/09/42/35/607094235.db2.gz OYZKOMGFXNZOHA-KRWDZBQOSA-N -1 3 394.479 3.750 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821393855 607095582 /nfs/dbraw/zinc/09/55/82/607095582.db2.gz DIEYTLXOSWVQDW-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821393855 607095583 /nfs/dbraw/zinc/09/55/83/607095583.db2.gz DIEYTLXOSWVQDW-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CC(C)(C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000819923285 607097575 /nfs/dbraw/zinc/09/75/75/607097575.db2.gz YMTGYBUPQCMBAJ-UHFFFAOYSA-N -1 3 382.443 3.516 20 0 GHADHM CC(C)(C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000819923285 607097577 /nfs/dbraw/zinc/09/75/77/607097577.db2.gz YMTGYBUPQCMBAJ-UHFFFAOYSA-N -1 3 382.443 3.516 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000821305140 607100991 /nfs/dbraw/zinc/10/09/91/607100991.db2.gz YWGYKCMXXMJNEB-UHFFFAOYSA-N -1 3 377.235 3.858 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000821304771 607101892 /nfs/dbraw/zinc/10/18/92/607101892.db2.gz QUZPBEQIJFPOQF-UHFFFAOYSA-N -1 3 389.463 3.741 20 0 GHADHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821614513 607124945 /nfs/dbraw/zinc/12/49/45/607124945.db2.gz JEFIDDFVVKYKGQ-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2)n1 ZINC000822402496 607138328 /nfs/dbraw/zinc/13/83/28/607138328.db2.gz BMKZUDSGSPOONL-UHFFFAOYSA-N -1 3 393.382 3.922 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2)n1 ZINC000822402496 607138330 /nfs/dbraw/zinc/13/83/30/607138330.db2.gz BMKZUDSGSPOONL-UHFFFAOYSA-N -1 3 393.382 3.922 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(C(F)(F)F)ccc1F ZINC000823308977 607151596 /nfs/dbraw/zinc/15/15/96/607151596.db2.gz OHZVJJZEMQVRIG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(C(F)(F)F)ccc1F ZINC000823308977 607151598 /nfs/dbraw/zinc/15/15/98/607151598.db2.gz OHZVJJZEMQVRIG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1sccc1-c1nnn[n-]1 ZINC000822959319 607151641 /nfs/dbraw/zinc/15/16/41/607151641.db2.gz YGVGPGJNSXPOCH-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1sccc1-c1nn[n-]n1 ZINC000822959319 607151643 /nfs/dbraw/zinc/15/16/43/607151643.db2.gz YGVGPGJNSXPOCH-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM CSc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(Cl)cc1Cl ZINC000821978846 607152502 /nfs/dbraw/zinc/15/25/02/607152502.db2.gz NESYQWBSFZAYRV-UHFFFAOYSA-N -1 3 394.287 3.825 20 0 GHADHM CSc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(Cl)cc1Cl ZINC000821978846 607152503 /nfs/dbraw/zinc/15/25/03/607152503.db2.gz NESYQWBSFZAYRV-UHFFFAOYSA-N -1 3 394.287 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Sc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000819844644 607162174 /nfs/dbraw/zinc/16/21/74/607162174.db2.gz JZMBJSJKDXNVAA-GOSISDBHSA-N -1 3 395.488 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Sc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000819844644 607162175 /nfs/dbraw/zinc/16/21/75/607162175.db2.gz JZMBJSJKDXNVAA-GOSISDBHSA-N -1 3 395.488 3.825 20 0 GHADHM Clc1ccc(-c2nnc(CNc3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000822568414 607165011 /nfs/dbraw/zinc/16/50/11/607165011.db2.gz PVPBEDIXPPSBGG-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(-c2nnc(CNc3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822568414 607165012 /nfs/dbraw/zinc/16/50/12/607165012.db2.gz PVPBEDIXPPSBGG-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)SCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821765375 607172320 /nfs/dbraw/zinc/17/23/20/607172320.db2.gz BWEVOKNUXHADFM-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)SCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765375 607172321 /nfs/dbraw/zinc/17/23/21/607172321.db2.gz BWEVOKNUXHADFM-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821456189 607198167 /nfs/dbraw/zinc/19/81/67/607198167.db2.gz OCQYQGKADMHBNL-NEPJUHHUSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821456189 607198168 /nfs/dbraw/zinc/19/81/68/607198168.db2.gz OCQYQGKADMHBNL-NEPJUHHUSA-N -1 3 380.905 3.706 20 0 GHADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(C)cs1 ZINC000820853614 607199068 /nfs/dbraw/zinc/19/90/68/607199068.db2.gz NOZJOFXKXAJKHA-INIZCTEOSA-N -1 3 391.888 3.732 20 0 GHADHM CC[C@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C)cs1 ZINC000820853614 607199069 /nfs/dbraw/zinc/19/90/69/607199069.db2.gz NOZJOFXKXAJKHA-INIZCTEOSA-N -1 3 391.888 3.732 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820667875 607199080 /nfs/dbraw/zinc/19/90/80/607199080.db2.gz OOKBXNUPZKOIIL-WFASDCNBSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820667875 607199081 /nfs/dbraw/zinc/19/90/81/607199081.db2.gz OOKBXNUPZKOIIL-WFASDCNBSA-N -1 3 382.855 3.930 20 0 GHADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821492691 607200953 /nfs/dbraw/zinc/20/09/53/607200953.db2.gz SXJIAGSCAAKCSS-OAHLLOKOSA-N -1 3 398.854 3.728 20 0 GHADHM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821492691 607200954 /nfs/dbraw/zinc/20/09/54/607200954.db2.gz SXJIAGSCAAKCSS-OAHLLOKOSA-N -1 3 398.854 3.728 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(Oc3ccc(F)cc3)c2)n1 ZINC000822214893 607228222 /nfs/dbraw/zinc/22/82/22/607228222.db2.gz CKERVAHKYUFFMW-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccnc(Oc3ccc(F)cc3)c2)n1 ZINC000822214893 607228223 /nfs/dbraw/zinc/22/82/23/607228223.db2.gz CKERVAHKYUFFMW-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Oc3cccnc3)c(F)c2)n1 ZINC000822215208 607228249 /nfs/dbraw/zinc/22/82/49/607228249.db2.gz QKPOFKDZXVXMKF-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Oc3cccnc3)c(F)c2)n1 ZINC000822215208 607228250 /nfs/dbraw/zinc/22/82/50/607228250.db2.gz QKPOFKDZXVXMKF-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823356874 607232264 /nfs/dbraw/zinc/23/22/64/607232264.db2.gz PXWXBEBAKLVLRG-UHFFFAOYSA-N -1 3 388.818 3.739 20 0 GHADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823356874 607232265 /nfs/dbraw/zinc/23/22/65/607232265.db2.gz PXWXBEBAKLVLRG-UHFFFAOYSA-N -1 3 388.818 3.739 20 0 GHADHM C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820717711 607237115 /nfs/dbraw/zinc/23/71/15/607237115.db2.gz UYZXQDMFPMGYFI-AWEZNQCLSA-N -1 3 377.448 3.565 20 0 GHADHM C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820717711 607237116 /nfs/dbraw/zinc/23/71/16/607237116.db2.gz UYZXQDMFPMGYFI-AWEZNQCLSA-N -1 3 377.448 3.565 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccc(C)cc1 ZINC000822225061 607241495 /nfs/dbraw/zinc/24/14/95/607241495.db2.gz MPXSZLUWGFGKLE-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccc(C)cc1 ZINC000822225061 607241496 /nfs/dbraw/zinc/24/14/96/607241496.db2.gz MPXSZLUWGFGKLE-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(N2CCCCCC2)nc1 ZINC000823318349 607241844 /nfs/dbraw/zinc/24/18/44/607241844.db2.gz CTXNYPOXUUBBAB-UHFFFAOYSA-N -1 3 397.870 3.548 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(N2CCCCCC2)nc1 ZINC000823318349 607241845 /nfs/dbraw/zinc/24/18/45/607241845.db2.gz CTXNYPOXUUBBAB-UHFFFAOYSA-N -1 3 397.870 3.548 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958826 607242308 /nfs/dbraw/zinc/24/23/08/607242308.db2.gz IYWIRWRXKWAFLY-UHFFFAOYSA-N -1 3 397.866 3.807 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958826 607242309 /nfs/dbraw/zinc/24/23/09/607242309.db2.gz IYWIRWRXKWAFLY-UHFFFAOYSA-N -1 3 397.866 3.807 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=S)Nc2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000825544584 607783715 /nfs/dbraw/zinc/78/37/15/607783715.db2.gz DGTAQDMHVBABRX-UHFFFAOYSA-N -1 3 397.464 3.552 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=S)Nc2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000825544584 607783716 /nfs/dbraw/zinc/78/37/16/607783716.db2.gz DGTAQDMHVBABRX-UHFFFAOYSA-N -1 3 397.464 3.552 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000825545742 607783822 /nfs/dbraw/zinc/78/38/22/607783822.db2.gz VYDOQNADONLURS-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000825545742 607783823 /nfs/dbraw/zinc/78/38/23/607783823.db2.gz VYDOQNADONLURS-SNVBAGLBSA-N -1 3 388.378 3.886 20 0 GHADHM CN(C(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000825818280 607787226 /nfs/dbraw/zinc/78/72/26/607787226.db2.gz ZREFDVMNKVQDMX-UHFFFAOYSA-N -1 3 399.454 3.636 20 0 GHADHM CN(C(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000825818280 607787227 /nfs/dbraw/zinc/78/72/27/607787227.db2.gz ZREFDVMNKVQDMX-UHFFFAOYSA-N -1 3 399.454 3.636 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826285273 607790258 /nfs/dbraw/zinc/79/02/58/607790258.db2.gz UIRMEFXISVVTMU-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826285273 607790259 /nfs/dbraw/zinc/79/02/59/607790259.db2.gz UIRMEFXISVVTMU-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824488592 607792947 /nfs/dbraw/zinc/79/29/47/607792947.db2.gz GGKCKAKMMFABET-MRXNPFEDSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488592 607792948 /nfs/dbraw/zinc/79/29/48/607792948.db2.gz GGKCKAKMMFABET-MRXNPFEDSA-N -1 3 390.491 3.691 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 ZINC000826176414 607794708 /nfs/dbraw/zinc/79/47/08/607794708.db2.gz OHJDJKASALQVBC-OAHLLOKOSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 ZINC000826176414 607794709 /nfs/dbraw/zinc/79/47/09/607794709.db2.gz OHJDJKASALQVBC-OAHLLOKOSA-N -1 3 379.420 3.652 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825043037 607795527 /nfs/dbraw/zinc/79/55/27/607795527.db2.gz CJUKJWNIMPOMRB-UHFFFAOYSA-N -1 3 393.491 3.848 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825043037 607795528 /nfs/dbraw/zinc/79/55/28/607795528.db2.gz CJUKJWNIMPOMRB-UHFFFAOYSA-N -1 3 393.491 3.848 20 0 GHADHM CC[C@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825080868 607797699 /nfs/dbraw/zinc/79/76/99/607797699.db2.gz CHOCBXXTWHFLSY-OAHLLOKOSA-N -1 3 379.464 3.812 20 0 GHADHM CC[C@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825080868 607797700 /nfs/dbraw/zinc/79/77/00/607797700.db2.gz CHOCBXXTWHFLSY-OAHLLOKOSA-N -1 3 379.464 3.812 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000826373520 607813098 /nfs/dbraw/zinc/81/30/98/607813098.db2.gz PDVJJAVWBBBATP-UHFFFAOYSA-N -1 3 385.752 3.968 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824119879 607826674 /nfs/dbraw/zinc/82/66/74/607826674.db2.gz RUWGYUVGDDWWNP-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824119879 607826675 /nfs/dbraw/zinc/82/66/75/607826675.db2.gz RUWGYUVGDDWWNP-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1noc(-c2cccs2)n1 ZINC000826350969 607844675 /nfs/dbraw/zinc/84/46/75/607844675.db2.gz RRSNPOJGWLCCNN-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1noc(-c2cccs2)n1 ZINC000826350969 607844676 /nfs/dbraw/zinc/84/46/76/607844676.db2.gz RRSNPOJGWLCCNN-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000825971412 607858108 /nfs/dbraw/zinc/85/81/08/607858108.db2.gz FTZJOIOFPGEWKC-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000825971412 607858109 /nfs/dbraw/zinc/85/81/09/607858109.db2.gz FTZJOIOFPGEWKC-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000826504219 607872828 /nfs/dbraw/zinc/87/28/28/607872828.db2.gz PXZJWRNZEJUQTB-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000826504219 607872829 /nfs/dbraw/zinc/87/28/29/607872829.db2.gz PXZJWRNZEJUQTB-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM CCN(C(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366574 607878679 /nfs/dbraw/zinc/87/86/79/607878679.db2.gz CGGZCLIATOGQLE-INIZCTEOSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366574 607878680 /nfs/dbraw/zinc/87/86/80/607878680.db2.gz CGGZCLIATOGQLE-INIZCTEOSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362914 607878766 /nfs/dbraw/zinc/87/87/66/607878766.db2.gz SPOGBHZFLKKDRT-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362914 607878767 /nfs/dbraw/zinc/87/87/67/607878767.db2.gz SPOGBHZFLKKDRT-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CC(C)CSCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000824276053 607927663 /nfs/dbraw/zinc/92/76/63/607927663.db2.gz YLGJEINUVGWZFW-UHFFFAOYSA-N -1 3 390.557 3.566 20 0 GHADHM CC(C)CSCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000824276053 607927664 /nfs/dbraw/zinc/92/76/64/607927664.db2.gz YLGJEINUVGWZFW-UHFFFAOYSA-N -1 3 390.557 3.566 20 0 GHADHM C[C@@H]1Cc2cc(-c3ccc(CNCc4ccc(-c5nnn[n-]5)o4)cc3)ccc2O1 ZINC000825014321 607938642 /nfs/dbraw/zinc/93/86/42/607938642.db2.gz VPMWESZDUKBWKD-CQSZACIVSA-N -1 3 387.443 3.740 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408829 607948996 /nfs/dbraw/zinc/94/89/96/607948996.db2.gz WUAPXICKSDRUSD-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408829 607948997 /nfs/dbraw/zinc/94/89/97/607948997.db2.gz WUAPXICKSDRUSD-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM Cc1ccc([C@H]2C[C@H](OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826284910 607950078 /nfs/dbraw/zinc/95/00/78/607950078.db2.gz JTPUVASYWFZCPK-WOJBJXKFSA-N -1 3 392.459 3.571 20 0 GHADHM Cc1ccc([C@H]2C[C@H](OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826284910 607950079 /nfs/dbraw/zinc/95/00/79/607950079.db2.gz JTPUVASYWFZCPK-WOJBJXKFSA-N -1 3 392.459 3.571 20 0 GHADHM O=C(NCc1ccnc2ccccc12)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826443218 607964619 /nfs/dbraw/zinc/96/46/19/607964619.db2.gz GOLFYTCXSPBYHY-UHFFFAOYSA-N -1 3 399.241 3.652 20 0 GHADHM O=C(NCc1ccnc2ccccc12)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826443218 607964620 /nfs/dbraw/zinc/96/46/20/607964620.db2.gz GOLFYTCXSPBYHY-UHFFFAOYSA-N -1 3 399.241 3.652 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000826207358 607983682 /nfs/dbraw/zinc/98/36/82/607983682.db2.gz LHPAEGABZILHGL-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000826207358 607983683 /nfs/dbraw/zinc/98/36/83/607983683.db2.gz LHPAEGABZILHGL-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM CCc1ccc(NC(=O)[C@H](C)SCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825712679 607984387 /nfs/dbraw/zinc/98/43/87/607984387.db2.gz UWHVFSQRGIXLDT-ZDUSSCGKSA-N -1 3 397.504 3.698 20 0 GHADHM CCc1ccc(NC(=O)[C@H](C)SCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825712679 607984388 /nfs/dbraw/zinc/98/43/88/607984388.db2.gz UWHVFSQRGIXLDT-ZDUSSCGKSA-N -1 3 397.504 3.698 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CCC(F)(F)CC1 ZINC000826460962 608000464 /nfs/dbraw/zinc/00/04/64/608000464.db2.gz ZPMSZWIKVNGDRS-UHFFFAOYSA-N -1 3 381.452 3.961 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CCC(F)(F)CC1 ZINC000826460962 608000465 /nfs/dbraw/zinc/00/04/65/608000465.db2.gz ZPMSZWIKVNGDRS-UHFFFAOYSA-N -1 3 381.452 3.961 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826273538 608007888 /nfs/dbraw/zinc/00/78/88/608007888.db2.gz ITGMVYXUNYAEFD-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826273538 608007889 /nfs/dbraw/zinc/00/78/89/608007889.db2.gz ITGMVYXUNYAEFD-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM Cn1c2ccc(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2nc1C(C)(C)C ZINC000826355058 608023069 /nfs/dbraw/zinc/02/30/69/608023069.db2.gz IDUVKJCMRNJHEC-UHFFFAOYSA-N -1 3 390.451 3.695 20 0 GHADHM Cn1c2ccc(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2nc1C(C)(C)C ZINC000826355058 608023070 /nfs/dbraw/zinc/02/30/70/608023070.db2.gz IDUVKJCMRNJHEC-UHFFFAOYSA-N -1 3 390.451 3.695 20 0 GHADHM CN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817399 608028893 /nfs/dbraw/zinc/02/88/93/608028893.db2.gz IZDPBJORRIEKBR-UHFFFAOYSA-N -1 3 394.866 3.918 20 0 GHADHM CN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817399 608028894 /nfs/dbraw/zinc/02/88/94/608028894.db2.gz IZDPBJORRIEKBR-UHFFFAOYSA-N -1 3 394.866 3.918 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392058 608051127 /nfs/dbraw/zinc/05/11/27/608051127.db2.gz LIKBWGWFCKGUOX-ZANVPECISA-N -1 3 394.298 3.615 20 0 GHADHM CCOCCC1(CNc2ccc(-c3nn[n-]n3)cc2Br)CCC1 ZINC000825590432 608051409 /nfs/dbraw/zinc/05/14/09/608051409.db2.gz UPRXYKYDEZDEOB-UHFFFAOYSA-N -1 3 380.290 3.638 20 0 GHADHM CC(C)CN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255623 608059682 /nfs/dbraw/zinc/05/96/82/608059682.db2.gz QIWURFBWAHAXJM-LJQANCHMSA-N -1 3 391.475 3.673 20 0 GHADHM CC(C)CN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255623 608059683 /nfs/dbraw/zinc/05/96/83/608059683.db2.gz QIWURFBWAHAXJM-LJQANCHMSA-N -1 3 391.475 3.673 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000824293075 608059685 /nfs/dbraw/zinc/05/96/85/608059685.db2.gz FDEOHFHRGKQXAC-UHFFFAOYSA-N -1 3 378.411 3.538 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000824293075 608059686 /nfs/dbraw/zinc/05/96/86/608059686.db2.gz FDEOHFHRGKQXAC-UHFFFAOYSA-N -1 3 378.411 3.538 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082823 608102443 /nfs/dbraw/zinc/10/24/43/608102443.db2.gz WBEKUZIOKCINMO-OEYXZAGESA-N -1 3 377.452 3.564 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082823 608102444 /nfs/dbraw/zinc/10/24/44/608102444.db2.gz WBEKUZIOKCINMO-OEYXZAGESA-N -1 3 377.452 3.564 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081855 608105725 /nfs/dbraw/zinc/10/57/25/608105725.db2.gz NXBCAHINNIJHBA-QWHCGFSZSA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081855 608105726 /nfs/dbraw/zinc/10/57/26/608105726.db2.gz NXBCAHINNIJHBA-QWHCGFSZSA-N -1 3 394.483 3.794 20 0 GHADHM CCOC(=O)C(=Cc1ccccc1-c1nnn[n-]1)c1nc(C(C)C)c(C)s1 ZINC000825486018 608109274 /nfs/dbraw/zinc/10/92/74/608109274.db2.gz LXDJSUKCQPCQNY-GDNBJRDFSA-N -1 3 383.477 3.859 20 0 GHADHM CCOC(=O)C(=Cc1ccccc1-c1nn[n-]n1)c1nc(C(C)C)c(C)s1 ZINC000825486018 608109275 /nfs/dbraw/zinc/10/92/75/608109275.db2.gz LXDJSUKCQPCQNY-GDNBJRDFSA-N -1 3 383.477 3.859 20 0 GHADHM CCCn1c(C)nnc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000825356790 608110819 /nfs/dbraw/zinc/11/08/19/608110819.db2.gz JQNQZCQKFFMBSO-UHFFFAOYSA-N -1 3 392.492 3.531 20 0 GHADHM CCCn1c(C)nnc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000825356790 608110820 /nfs/dbraw/zinc/11/08/20/608110820.db2.gz JQNQZCQKFFMBSO-UHFFFAOYSA-N -1 3 392.492 3.531 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826478206 608111310 /nfs/dbraw/zinc/11/13/10/608111310.db2.gz WWCOZYUYMGSPON-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826478206 608111311 /nfs/dbraw/zinc/11/13/11/608111311.db2.gz WWCOZYUYMGSPON-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM c1cc(COc2cccc(Nc3nc(C4CC4)ns3)c2)cc(-c2nnn[n-]2)c1 ZINC000826517485 608176561 /nfs/dbraw/zinc/17/65/61/608176561.db2.gz DVBCQAUVNDLPCB-UHFFFAOYSA-N -1 3 391.460 3.918 20 0 GHADHM c1cc(COc2cccc(Nc3nc(C4CC4)ns3)c2)cc(-c2nn[n-]n2)c1 ZINC000826517485 608176563 /nfs/dbraw/zinc/17/65/63/608176563.db2.gz DVBCQAUVNDLPCB-UHFFFAOYSA-N -1 3 391.460 3.918 20 0 GHADHM Cc1ccncc1[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826314750 608201698 /nfs/dbraw/zinc/20/16/98/608201698.db2.gz LJGRXJPOSABTEO-HNNXBMFYSA-N -1 3 399.458 3.805 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000824754567 608207272 /nfs/dbraw/zinc/20/72/72/608207272.db2.gz IOPNEQWIWZYNPX-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000824754567 608207274 /nfs/dbraw/zinc/20/72/74/608207274.db2.gz IOPNEQWIWZYNPX-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccc(Cl)cc1 ZINC000825609742 608219878 /nfs/dbraw/zinc/21/98/78/608219878.db2.gz SQKIXYDCNYMZGM-AWEZNQCLSA-N -1 3 395.246 3.685 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccc(Cl)cc1 ZINC000825609742 608219880 /nfs/dbraw/zinc/21/98/80/608219880.db2.gz SQKIXYDCNYMZGM-AWEZNQCLSA-N -1 3 395.246 3.685 20 0 GHADHM O[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2ccccc2c1 ZINC000826504352 608227465 /nfs/dbraw/zinc/22/74/65/608227465.db2.gz ULNAYAISIYMSLH-FQEVSTJZSA-N -1 3 382.427 3.714 20 0 GHADHM O[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2ccccc2c1 ZINC000826504352 608227466 /nfs/dbraw/zinc/22/74/66/608227466.db2.gz ULNAYAISIYMSLH-FQEVSTJZSA-N -1 3 382.427 3.714 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826211007 608231996 /nfs/dbraw/zinc/23/19/96/608231996.db2.gz MFQASLPVAJKNJW-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826211007 608231997 /nfs/dbraw/zinc/23/19/97/608231997.db2.gz MFQASLPVAJKNJW-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C2SCCS2)cc1 ZINC000826173322 608260647 /nfs/dbraw/zinc/26/06/47/608260647.db2.gz XWBMIJKUJDSAPW-UHFFFAOYSA-N -1 3 386.502 3.933 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C2SCCS2)cc1 ZINC000826173322 608260649 /nfs/dbraw/zinc/26/06/49/608260649.db2.gz XWBMIJKUJDSAPW-UHFFFAOYSA-N -1 3 386.502 3.933 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3sccc3-c3nnn[n-]3)c2)c1C ZINC000825688212 608265602 /nfs/dbraw/zinc/26/56/02/608265602.db2.gz SXVIGXVGUPQGSW-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3sccc3-c3nn[n-]n3)c2)c1C ZINC000825688212 608265604 /nfs/dbraw/zinc/26/56/04/608265604.db2.gz SXVIGXVGUPQGSW-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM COc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1OC(C)C ZINC000826179130 608272048 /nfs/dbraw/zinc/27/20/48/608272048.db2.gz AFXAQIDDXUFHOD-UHFFFAOYSA-N -1 3 394.479 3.548 20 0 GHADHM COc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1OC(C)C ZINC000826179130 608272049 /nfs/dbraw/zinc/27/20/49/608272049.db2.gz AFXAQIDDXUFHOD-UHFFFAOYSA-N -1 3 394.479 3.548 20 0 GHADHM COc1cc(CNc2nc(C)ccc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC000826179495 608275723 /nfs/dbraw/zinc/27/57/23/608275723.db2.gz QLHPIIOCMJJPCY-UHFFFAOYSA-N -1 3 382.468 3.616 20 0 GHADHM COc1cc(CNc2nc(C)ccc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC000826179495 608275726 /nfs/dbraw/zinc/27/57/26/608275726.db2.gz QLHPIIOCMJJPCY-UHFFFAOYSA-N -1 3 382.468 3.616 20 0 GHADHM O=C(NCc1ccccc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826442721 608292375 /nfs/dbraw/zinc/29/23/75/608292375.db2.gz IEWMNZKNNOUDCW-UHFFFAOYSA-N -1 3 384.443 3.533 20 0 GHADHM O=C(NCc1ccccc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826442721 608292376 /nfs/dbraw/zinc/29/23/76/608292376.db2.gz IEWMNZKNNOUDCW-UHFFFAOYSA-N -1 3 384.443 3.533 20 0 GHADHM c1cncc(-c2ccc(CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)cc2)c1 ZINC000826525738 608292998 /nfs/dbraw/zinc/29/29/98/608292998.db2.gz XDQZWKIBYKZGBC-UHFFFAOYSA-N -1 3 383.459 3.815 20 0 GHADHM c1cncc(-c2ccc(CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)cc2)c1 ZINC000826525738 608293000 /nfs/dbraw/zinc/29/30/00/608293000.db2.gz XDQZWKIBYKZGBC-UHFFFAOYSA-N -1 3 383.459 3.815 20 0 GHADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826278624 608294011 /nfs/dbraw/zinc/29/40/11/608294011.db2.gz LWOCAYRPMMLMTG-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826278624 608294012 /nfs/dbraw/zinc/29/40/12/608294012.db2.gz LWOCAYRPMMLMTG-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCCCn1cc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(C)n1 ZINC000825301162 608294089 /nfs/dbraw/zinc/29/40/89/608294089.db2.gz IMAZBMSWBKRTOF-UHFFFAOYSA-N -1 3 379.390 3.803 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826226365 608294104 /nfs/dbraw/zinc/29/41/04/608294104.db2.gz YGFMEIIWAMUKED-AWEZNQCLSA-N -1 3 397.504 3.916 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826226365 608294106 /nfs/dbraw/zinc/29/41/06/608294106.db2.gz YGFMEIIWAMUKED-AWEZNQCLSA-N -1 3 397.504 3.916 20 0 GHADHM CC(C)Cn1ncc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824284831 608312401 /nfs/dbraw/zinc/31/24/01/608312401.db2.gz ODUAXINYJYCVJA-UHFFFAOYSA-N -1 3 399.524 3.573 20 0 GHADHM CC(C)Cn1ncc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824284831 608312405 /nfs/dbraw/zinc/31/24/05/608312405.db2.gz ODUAXINYJYCVJA-UHFFFAOYSA-N -1 3 399.524 3.573 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(C(=O)c2ccccc2)c1 ZINC000826170898 608320487 /nfs/dbraw/zinc/32/04/87/608320487.db2.gz UEYKHERAASHXTD-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(C(=O)c2ccccc2)c1 ZINC000826170898 608320489 /nfs/dbraw/zinc/32/04/89/608320489.db2.gz UEYKHERAASHXTD-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(Br)cc1F ZINC000826170963 608321141 /nfs/dbraw/zinc/32/11/41/608321141.db2.gz WXNAPILNVJCYAL-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(Br)cc1F ZINC000826170963 608321143 /nfs/dbraw/zinc/32/11/43/608321143.db2.gz WXNAPILNVJCYAL-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM CCN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385955 608345453 /nfs/dbraw/zinc/34/54/53/608345453.db2.gz WLNAWRNDTXTGNM-UHFFFAOYSA-N -1 3 392.850 3.978 20 0 GHADHM CCN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385955 608345455 /nfs/dbraw/zinc/34/54/55/608345455.db2.gz WLNAWRNDTXTGNM-UHFFFAOYSA-N -1 3 392.850 3.978 20 0 GHADHM CCN(C(=O)CCc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371380 608346635 /nfs/dbraw/zinc/34/66/35/608346635.db2.gz FVDIROHXQSJUGK-UHFFFAOYSA-N -1 3 398.898 3.572 20 0 GHADHM CCN(C(=O)CCc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371380 608346637 /nfs/dbraw/zinc/34/66/37/608346637.db2.gz FVDIROHXQSJUGK-UHFFFAOYSA-N -1 3 398.898 3.572 20 0 GHADHM CN(CC(C)(C)C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825896991 608356416 /nfs/dbraw/zinc/35/64/16/608356416.db2.gz ALOZMYFJFXVLBB-UHFFFAOYSA-N -1 3 378.480 3.721 20 0 GHADHM CN(CC(C)(C)C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825896991 608356418 /nfs/dbraw/zinc/35/64/18/608356418.db2.gz ALOZMYFJFXVLBB-UHFFFAOYSA-N -1 3 378.480 3.721 20 0 GHADHM CC1(C)CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824806875 608358060 /nfs/dbraw/zinc/35/80/60/608358060.db2.gz DOFTVBOVVJFYPO-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CC1(C)CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824806875 608358061 /nfs/dbraw/zinc/35/80/61/608358061.db2.gz DOFTVBOVVJFYPO-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CC(C)C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000824237524 608425700 /nfs/dbraw/zinc/42/57/00/608425700.db2.gz SUBYDAPDCGJQQM-SFHVURJKSA-N -1 3 389.463 3.794 20 0 GHADHM c1ccc(-c2nnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)s2)cc1 ZINC000823868004 608441343 /nfs/dbraw/zinc/44/13/43/608441343.db2.gz MODCPYRPIQCPFB-UHFFFAOYSA-N -1 3 387.472 3.679 20 0 GHADHM c1ccc(-c2nnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)s2)cc1 ZINC000823868004 608441345 /nfs/dbraw/zinc/44/13/45/608441345.db2.gz MODCPYRPIQCPFB-UHFFFAOYSA-N -1 3 387.472 3.679 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(C(F)(F)F)ccc1F ZINC000826465879 608451820 /nfs/dbraw/zinc/45/18/20/608451820.db2.gz HHFNFFBQSPQVLW-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(C(F)(F)F)ccc1F ZINC000826465879 608451822 /nfs/dbraw/zinc/45/18/22/608451822.db2.gz HHFNFFBQSPQVLW-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(C(F)(F)F)c1F ZINC000826466619 608452627 /nfs/dbraw/zinc/45/26/27/608452627.db2.gz MBKZFNNZIQHCPX-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(C(F)(F)F)c1F ZINC000826466619 608452628 /nfs/dbraw/zinc/45/26/28/608452628.db2.gz MBKZFNNZIQHCPX-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM FC(F)(F)c1csc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826368774 608466808 /nfs/dbraw/zinc/46/68/08/608466808.db2.gz ATNNHOMPIYFEFH-UHFFFAOYSA-N -1 3 392.410 3.631 20 0 GHADHM FC(F)(F)c1csc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826368774 608466809 /nfs/dbraw/zinc/46/68/09/608466809.db2.gz ATNNHOMPIYFEFH-UHFFFAOYSA-N -1 3 392.410 3.631 20 0 GHADHM O=C([C@H]1C[C@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398515 608477263 /nfs/dbraw/zinc/47/72/63/608477263.db2.gz YMOFKDYRXXTJQB-PMACEKPBSA-N -1 3 377.492 3.699 20 0 GHADHM O=C([C@H]1C[C@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398515 608477264 /nfs/dbraw/zinc/47/72/64/608477264.db2.gz YMOFKDYRXXTJQB-PMACEKPBSA-N -1 3 377.492 3.699 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404541 608479411 /nfs/dbraw/zinc/47/94/11/608479411.db2.gz DFLRCZQCQGXPGR-OAQYLSRUSA-N -1 3 399.498 3.993 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404541 608479412 /nfs/dbraw/zinc/47/94/12/608479412.db2.gz DFLRCZQCQGXPGR-OAQYLSRUSA-N -1 3 399.498 3.993 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825603790 608480874 /nfs/dbraw/zinc/48/08/74/608480874.db2.gz COIGSWNYAQECAP-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825603790 608480876 /nfs/dbraw/zinc/48/08/76/608480876.db2.gz COIGSWNYAQECAP-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM O=C(CCSc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826407906 608481031 /nfs/dbraw/zinc/48/10/31/608481031.db2.gz HHZFOUNTPZPIBL-UHFFFAOYSA-N -1 3 391.500 3.665 20 0 GHADHM O=C(CCSc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826407906 608481033 /nfs/dbraw/zinc/48/10/33/608481033.db2.gz HHZFOUNTPZPIBL-UHFFFAOYSA-N -1 3 391.500 3.665 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826305445 608486846 /nfs/dbraw/zinc/48/68/46/608486846.db2.gz WUEFWBQAGNQGQP-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826305445 608486848 /nfs/dbraw/zinc/48/68/48/608486848.db2.gz WUEFWBQAGNQGQP-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM c1coc(-c2nc(CN[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cs2)c1 ZINC000826525989 608518700 /nfs/dbraw/zinc/51/87/00/608518700.db2.gz HERWUAQGDVVBHG-INIZCTEOSA-N -1 3 378.461 3.750 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824772165 608523964 /nfs/dbraw/zinc/52/39/64/608523964.db2.gz UQHHYFMXIHYOCF-JTQLQIEISA-N -1 3 378.299 3.884 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824772165 608523967 /nfs/dbraw/zinc/52/39/67/608523967.db2.gz UQHHYFMXIHYOCF-JTQLQIEISA-N -1 3 378.299 3.884 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)(F)F ZINC000826453578 608540659 /nfs/dbraw/zinc/54/06/59/608540659.db2.gz PWJBPOJABZDNQY-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1OC(F)(F)F ZINC000826453578 608540661 /nfs/dbraw/zinc/54/06/61/608540661.db2.gz PWJBPOJABZDNQY-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)cc1 ZINC000826288584 608546367 /nfs/dbraw/zinc/54/63/67/608546367.db2.gz OAPCBSDLUZTKFR-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)cc1 ZINC000826288584 608546368 /nfs/dbraw/zinc/54/63/68/608546368.db2.gz OAPCBSDLUZTKFR-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(c4cccnc4)CC3)c2c1 ZINC000826352711 608553916 /nfs/dbraw/zinc/55/39/16/608553916.db2.gz LJOLEZXEULLWSY-UHFFFAOYSA-N -1 3 391.866 3.847 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(c4cccnc4)CC3)c2c1 ZINC000826352711 608553917 /nfs/dbraw/zinc/55/39/17/608553917.db2.gz LJOLEZXEULLWSY-UHFFFAOYSA-N -1 3 391.866 3.847 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000824319304 608582195 /nfs/dbraw/zinc/58/21/95/608582195.db2.gz LMAZXMJJGYOVQV-HNNXBMFYSA-N -1 3 397.866 3.976 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000824319304 608582196 /nfs/dbraw/zinc/58/21/96/608582196.db2.gz LMAZXMJJGYOVQV-HNNXBMFYSA-N -1 3 397.866 3.976 20 0 GHADHM CC(C)(CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824157846 608589920 /nfs/dbraw/zinc/58/99/20/608589920.db2.gz OQBBWCSRBIOZJC-UHFFFAOYSA-N -1 3 398.470 3.636 20 0 GHADHM CC(C)(CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824157846 608589922 /nfs/dbraw/zinc/58/99/22/608589922.db2.gz OQBBWCSRBIOZJC-UHFFFAOYSA-N -1 3 398.470 3.636 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826402558 608592637 /nfs/dbraw/zinc/59/26/37/608592637.db2.gz WZQLQQWYHCXKDC-JEZWAEDTSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826402558 608592639 /nfs/dbraw/zinc/59/26/39/608592639.db2.gz WZQLQQWYHCXKDC-JEZWAEDTSA-N -1 3 395.850 3.563 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825787513 608650897 /nfs/dbraw/zinc/65/08/97/608650897.db2.gz HAFDDNPNISVYDQ-GOSISDBHSA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825787513 608650898 /nfs/dbraw/zinc/65/08/98/608650898.db2.gz HAFDDNPNISVYDQ-GOSISDBHSA-N -1 3 391.454 3.713 20 0 GHADHM Fc1c(CSc2nnc(-c3c[nH]c4ccccc43)o2)cccc1-c1nnn[n-]1 ZINC000826371487 608670140 /nfs/dbraw/zinc/67/01/40/608670140.db2.gz HVRXYBRBOKGOOL-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Fc1c(CSc2nnc(-c3c[nH]c4ccccc43)o2)cccc1-c1nn[n-]n1 ZINC000826371487 608670141 /nfs/dbraw/zinc/67/01/41/608670141.db2.gz HVRXYBRBOKGOOL-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Brc1cc(CN(Cc2cc(-c3nnn[n-]3)cs2)C2CC2)cs1 ZINC000823826544 608735056 /nfs/dbraw/zinc/73/50/56/608735056.db2.gz LAFQHAICZBMRMH-UHFFFAOYSA-N -1 3 396.339 3.917 20 0 GHADHM Brc1cc(CN(Cc2cc(-c3nn[n-]n3)cs2)C2CC2)cs1 ZINC000823826544 608735057 /nfs/dbraw/zinc/73/50/57/608735057.db2.gz LAFQHAICZBMRMH-UHFFFAOYSA-N -1 3 396.339 3.917 20 0 GHADHM Fc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nnn[n-]1 ZINC000826373074 608877436 /nfs/dbraw/zinc/87/74/36/608877436.db2.gz YKPRYMUZPYPJBE-WTKPLQERSA-N -1 3 376.729 3.897 20 0 GHADHM Fc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nn[n-]n1 ZINC000826373074 608877437 /nfs/dbraw/zinc/87/74/37/608877437.db2.gz YKPRYMUZPYPJBE-WTKPLQERSA-N -1 3 376.729 3.897 20 0 GHADHM C[C@H](NCc1sccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824634320 609150892 /nfs/dbraw/zinc/15/08/92/609150892.db2.gz VNIAAVHTNRXHPO-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@H](NCc1sccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824634320 609150894 /nfs/dbraw/zinc/15/08/94/609150894.db2.gz VNIAAVHTNRXHPO-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM CC(C)C(=O)Nc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000824184644 609161893 /nfs/dbraw/zinc/16/18/93/609161893.db2.gz HXYZTNZPDKYYOV-LJQANCHMSA-N -1 3 376.464 3.951 20 0 GHADHM CC(C)C(=O)Nc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824184644 609161894 /nfs/dbraw/zinc/16/18/94/609161894.db2.gz HXYZTNZPDKYYOV-LJQANCHMSA-N -1 3 376.464 3.951 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@H](C)n2cccc2)c1-c1nnn[n-]1 ZINC000826233799 609166377 /nfs/dbraw/zinc/16/63/77/609166377.db2.gz WIYDFFIFKVJSAS-AWEZNQCLSA-N -1 3 389.463 3.666 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@H](C)n2cccc2)c1-c1nn[n-]n1 ZINC000826233799 609166379 /nfs/dbraw/zinc/16/63/79/609166379.db2.gz WIYDFFIFKVJSAS-AWEZNQCLSA-N -1 3 389.463 3.666 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992675 609179872 /nfs/dbraw/zinc/17/98/72/609179872.db2.gz NMTUMGLFEWDPGW-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992675 609179873 /nfs/dbraw/zinc/17/98/73/609179873.db2.gz NMTUMGLFEWDPGW-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825880234 609292084 /nfs/dbraw/zinc/29/20/84/609292084.db2.gz ZUWNPBVVHSESJC-GOSISDBHSA-N -1 3 396.882 3.563 20 0 GHADHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825880234 609292085 /nfs/dbraw/zinc/29/20/85/609292085.db2.gz ZUWNPBVVHSESJC-GOSISDBHSA-N -1 3 396.882 3.563 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825981215 609302695 /nfs/dbraw/zinc/30/26/95/609302695.db2.gz QLNNFDXZGQRJCD-UHFFFAOYSA-N -1 3 385.427 3.931 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825981215 609302698 /nfs/dbraw/zinc/30/26/98/609302698.db2.gz QLNNFDXZGQRJCD-UHFFFAOYSA-N -1 3 385.427 3.931 20 0 GHADHM Cc1nnc(SCc2csc(Cc3ccccc3)n2)c(-c2nnn[n-]2)c1C ZINC000826337596 609307732 /nfs/dbraw/zinc/30/77/32/609307732.db2.gz UJFYZNOJNUVSMN-UHFFFAOYSA-N -1 3 395.517 3.613 20 0 GHADHM Cc1nnc(SCc2csc(Cc3ccccc3)n2)c(-c2nn[n-]n2)c1C ZINC000826337596 609307734 /nfs/dbraw/zinc/30/77/34/609307734.db2.gz UJFYZNOJNUVSMN-UHFFFAOYSA-N -1 3 395.517 3.613 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1Cc2ccccc2C1 ZINC000826474405 609318049 /nfs/dbraw/zinc/31/80/49/609318049.db2.gz OKUQQCOWXXWORH-UHFFFAOYSA-N -1 3 383.411 3.815 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1Cc2ccccc2C1 ZINC000826474405 609318050 /nfs/dbraw/zinc/31/80/50/609318050.db2.gz OKUQQCOWXXWORH-UHFFFAOYSA-N -1 3 383.411 3.815 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1COc1cccc2ncccc21 ZINC000823821246 609326518 /nfs/dbraw/zinc/32/65/18/609326518.db2.gz QKYVFTPYUBELIO-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1COc1cccc2ncccc21 ZINC000823821246 609326521 /nfs/dbraw/zinc/32/65/21/609326521.db2.gz QKYVFTPYUBELIO-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM CC[C@H](O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000825152493 609327297 /nfs/dbraw/zinc/32/72/97/609327297.db2.gz AEVSKKCUEDZCTM-INIZCTEOSA-N -1 3 389.253 3.652 20 0 GHADHM CC[C@H](O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000825152493 609327299 /nfs/dbraw/zinc/32/72/99/609327299.db2.gz AEVSKKCUEDZCTM-INIZCTEOSA-N -1 3 389.253 3.652 20 0 GHADHM CC(C)(C)SCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824123915 609328608 /nfs/dbraw/zinc/32/86/08/609328608.db2.gz MPXJYBYWZPBMTR-UHFFFAOYSA-N -1 3 397.504 3.921 20 0 GHADHM CC(C)(C)SCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824123915 609328610 /nfs/dbraw/zinc/32/86/10/609328610.db2.gz MPXJYBYWZPBMTR-UHFFFAOYSA-N -1 3 397.504 3.921 20 0 GHADHM Cn1cc(CNc2cc(F)cc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361510 609343223 /nfs/dbraw/zinc/34/32/23/609343223.db2.gz ACUXMTIADFWLIN-UHFFFAOYSA-N -1 3 383.818 3.672 20 0 GHADHM Cn1cc(CNc2cc(F)cc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361510 609343225 /nfs/dbraw/zinc/34/32/25/609343225.db2.gz ACUXMTIADFWLIN-UHFFFAOYSA-N -1 3 383.818 3.672 20 0 GHADHM COCCc1nc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000826163236 609347666 /nfs/dbraw/zinc/34/76/66/609347666.db2.gz LQPVBPLHJHGUQY-NSHDSACASA-N -1 3 382.399 3.509 20 0 GHADHM COCCc1nc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000826163236 609347668 /nfs/dbraw/zinc/34/76/68/609347668.db2.gz LQPVBPLHJHGUQY-NSHDSACASA-N -1 3 382.399 3.509 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824884041 609389700 /nfs/dbraw/zinc/38/97/00/609389700.db2.gz KRWFDUNDAHNBBO-CABCVRRESA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824884041 609389703 /nfs/dbraw/zinc/38/97/03/609389703.db2.gz KRWFDUNDAHNBBO-CABCVRRESA-N -1 3 394.431 3.631 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000826273815 609397919 /nfs/dbraw/zinc/39/79/19/609397919.db2.gz VNBZBLDWZWQRMN-UHFFFAOYSA-N -1 3 394.412 3.536 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826273815 609397921 /nfs/dbraw/zinc/39/79/21/609397921.db2.gz VNBZBLDWZWQRMN-UHFFFAOYSA-N -1 3 394.412 3.536 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826401635 609404988 /nfs/dbraw/zinc/40/49/88/609404988.db2.gz CULYVFIDMXIOED-YHVDPYDOSA-N -1 3 391.450 3.815 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826401635 609404991 /nfs/dbraw/zinc/40/49/91/609404991.db2.gz CULYVFIDMXIOED-YHVDPYDOSA-N -1 3 391.450 3.815 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000824019604 609421372 /nfs/dbraw/zinc/42/13/72/609421372.db2.gz IEDYEZLNTSZUDB-OAHLLOKOSA-N -1 3 388.431 3.595 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000824019604 609421375 /nfs/dbraw/zinc/42/13/75/609421375.db2.gz IEDYEZLNTSZUDB-OAHLLOKOSA-N -1 3 388.431 3.595 20 0 GHADHM CCCCCCNC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825270791 609452100 /nfs/dbraw/zinc/45/21/00/609452100.db2.gz CYXQQSSNSZAHMS-UHFFFAOYSA-N -1 3 387.431 3.674 20 0 GHADHM CCCCCCNC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825270791 609452103 /nfs/dbraw/zinc/45/21/03/609452103.db2.gz CYXQQSSNSZAHMS-UHFFFAOYSA-N -1 3 387.431 3.674 20 0 GHADHM COc1cc(C)nc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826178767 609452856 /nfs/dbraw/zinc/45/28/56/609452856.db2.gz LPENWZJYWYRYRA-UHFFFAOYSA-N -1 3 381.383 3.890 20 0 GHADHM COc1cc(C)nc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826178767 609452859 /nfs/dbraw/zinc/45/28/59/609452859.db2.gz LPENWZJYWYRYRA-UHFFFAOYSA-N -1 3 381.383 3.890 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490937 609454230 /nfs/dbraw/zinc/45/42/30/609454230.db2.gz RNUQORTVOWYEBN-OAHLLOKOSA-N -1 3 376.464 3.790 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490937 609454231 /nfs/dbraw/zinc/45/42/31/609454231.db2.gz RNUQORTVOWYEBN-OAHLLOKOSA-N -1 3 376.464 3.790 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)no1 ZINC000824358733 609474057 /nfs/dbraw/zinc/47/40/57/609474057.db2.gz PJMSIXCDZKLDJQ-OAHLLOKOSA-N -1 3 396.455 3.522 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)no1 ZINC000824358733 609474060 /nfs/dbraw/zinc/47/40/60/609474060.db2.gz PJMSIXCDZKLDJQ-OAHLLOKOSA-N -1 3 396.455 3.522 20 0 GHADHM COc1ccc(CNc2cc(F)c(OC(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC000826203279 609481735 /nfs/dbraw/zinc/48/17/35/609481735.db2.gz HLSVLLWFAWVFDU-UHFFFAOYSA-N -1 3 375.379 3.553 20 0 GHADHM COc1ccc(CNc2cc(F)c(OC(C)C)c(F)c2)cc1-c1nn[n-]n1 ZINC000826203279 609481738 /nfs/dbraw/zinc/48/17/38/609481738.db2.gz HLSVLLWFAWVFDU-UHFFFAOYSA-N -1 3 375.379 3.553 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc2ccccc2c1 ZINC000826162784 609484251 /nfs/dbraw/zinc/48/42/51/609484251.db2.gz RSNOVBODYZMZTJ-UHFFFAOYSA-N -1 3 375.432 3.657 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc2ccccc2c1 ZINC000826162784 609484253 /nfs/dbraw/zinc/48/42/53/609484253.db2.gz RSNOVBODYZMZTJ-UHFFFAOYSA-N -1 3 375.432 3.657 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000826187008 609484660 /nfs/dbraw/zinc/48/46/60/609484660.db2.gz VGLCGUVASYROSY-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000826187008 609484663 /nfs/dbraw/zinc/48/46/63/609484663.db2.gz VGLCGUVASYROSY-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CCOc1cccc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)n1 ZINC000825649773 609484822 /nfs/dbraw/zinc/48/48/22/609484822.db2.gz XLEOOOIVDQVSNR-UHFFFAOYSA-N -1 3 396.398 3.675 20 0 GHADHM c1cc(COc2ccc(NCc3ccc4c(c3)CCO4)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516436 609485297 /nfs/dbraw/zinc/48/52/97/609485297.db2.gz LDYVMXBTANKKKD-UHFFFAOYSA-N -1 3 399.454 3.993 20 0 GHADHM c1cc(COc2ccc(NCc3ccc4c(c3)CCO4)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516436 609485298 /nfs/dbraw/zinc/48/52/98/609485298.db2.gz LDYVMXBTANKKKD-UHFFFAOYSA-N -1 3 399.454 3.993 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2coc3ccccc23)cc1-c1nnn[n-]1 ZINC000825552913 609490515 /nfs/dbraw/zinc/49/05/15/609490515.db2.gz FVIKWLIJLBLILU-UHFFFAOYSA-N -1 3 378.392 3.793 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2coc3ccccc23)cc1-c1nn[n-]n1 ZINC000825552913 609490516 /nfs/dbraw/zinc/49/05/16/609490516.db2.gz FVIKWLIJLBLILU-UHFFFAOYSA-N -1 3 378.392 3.793 20 0 GHADHM Cc1cn2c(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)c(C)nc2s1 ZINC000826317213 609491243 /nfs/dbraw/zinc/49/12/43/609491243.db2.gz SNKRNLLHJGHBOL-UHFFFAOYSA-N -1 3 383.481 3.592 20 0 GHADHM Cc1cn2c(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)c(C)nc2s1 ZINC000826317213 609491244 /nfs/dbraw/zinc/49/12/44/609491244.db2.gz SNKRNLLHJGHBOL-UHFFFAOYSA-N -1 3 383.481 3.592 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(Cc2ccc(-c4nnn[n-]4)o2)C3)cs1 ZINC000826322599 609494110 /nfs/dbraw/zinc/49/41/10/609494110.db2.gz TXQXVAKXXOTCIR-UHFFFAOYSA-N -1 3 384.490 3.511 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(Cc2ccc(-c4nn[n-]n4)o2)C3)cs1 ZINC000826322599 609494112 /nfs/dbraw/zinc/49/41/12/609494112.db2.gz TXQXVAKXXOTCIR-UHFFFAOYSA-N -1 3 384.490 3.511 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C12CCC(CC1)C2 ZINC000826442446 609503132 /nfs/dbraw/zinc/50/31/32/609503132.db2.gz WNMNCLHOZIQDSJ-UHFFFAOYSA-N -1 3 379.489 3.792 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CCO1 ZINC000825255692 609508462 /nfs/dbraw/zinc/50/84/62/609508462.db2.gz YNKXWGUGLCACMP-RWMBFGLXSA-N -1 3 389.525 3.587 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CCO1 ZINC000825255692 609508463 /nfs/dbraw/zinc/50/84/63/609508463.db2.gz YNKXWGUGLCACMP-RWMBFGLXSA-N -1 3 389.525 3.587 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825252829 609508632 /nfs/dbraw/zinc/50/86/32/609508632.db2.gz KNUDNOALYLRNKN-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825252829 609508633 /nfs/dbraw/zinc/50/86/33/609508633.db2.gz KNUDNOALYLRNKN-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@H]1CC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C[C@H](C)C1 ZINC000824874287 609529811 /nfs/dbraw/zinc/52/98/11/609529811.db2.gz BTQQPZDFVUUWPG-CHWSQXEVSA-N -1 3 395.429 3.830 20 0 GHADHM C[C@H]1CC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C[C@H](C)C1 ZINC000824874287 609529812 /nfs/dbraw/zinc/52/98/12/609529812.db2.gz BTQQPZDFVUUWPG-CHWSQXEVSA-N -1 3 395.429 3.830 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)C1=CCC1 ZINC000826455084 609558689 /nfs/dbraw/zinc/55/86/89/609558689.db2.gz YKDHJSSNRSRFSC-UHFFFAOYSA-N -1 3 381.823 3.758 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)C1=CCC1 ZINC000826455084 609558691 /nfs/dbraw/zinc/55/86/91/609558691.db2.gz YKDHJSSNRSRFSC-UHFFFAOYSA-N -1 3 381.823 3.758 20 0 GHADHM Cc1c(NC(=O)c2csc(Cc3cccc(F)c3)n2)cccc1-c1nnn[n-]1 ZINC000826242420 609579111 /nfs/dbraw/zinc/57/91/11/609579111.db2.gz NZAIVPOZPWKQSI-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(NC(=O)c2csc(Cc3cccc(F)c3)n2)cccc1-c1nn[n-]n1 ZINC000826242420 609579112 /nfs/dbraw/zinc/57/91/12/609579112.db2.gz NZAIVPOZPWKQSI-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238250 609580000 /nfs/dbraw/zinc/58/00/00/609580000.db2.gz AOLGPZNZUTYYOB-CZUORRHYSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238250 609580002 /nfs/dbraw/zinc/58/00/02/609580002.db2.gz AOLGPZNZUTYYOB-CZUORRHYSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1cnc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c(C)c1 ZINC000826317660 609592147 /nfs/dbraw/zinc/59/21/47/609592147.db2.gz KLBDDXVUPPOMRX-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826452871 609596688 /nfs/dbraw/zinc/59/66/88/609596688.db2.gz MFNSTFXKUWYUCG-OAHLLOKOSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826452871 609596690 /nfs/dbraw/zinc/59/66/90/609596690.db2.gz MFNSTFXKUWYUCG-OAHLLOKOSA-N -1 3 383.839 3.666 20 0 GHADHM CC[C@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825183982 609623870 /nfs/dbraw/zinc/62/38/70/609623870.db2.gz QGSGYAWDGJMTRF-MSOLQXFVSA-N -1 3 392.459 3.782 20 0 GHADHM CC[C@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825183982 609623872 /nfs/dbraw/zinc/62/38/72/609623872.db2.gz QGSGYAWDGJMTRF-MSOLQXFVSA-N -1 3 392.459 3.782 20 0 GHADHM CCc1cc2c(CN(C)CC(=O)Nc3c(C)cccc3C)cc(=O)oc2cc1[O-] ZINC000016624748 837466899 /nfs/dbraw/zinc/46/68/99/837466899.db2.gz UPQIGZBOFCQGEZ-UHFFFAOYSA-N -1 3 394.471 3.748 20 0 GHADHM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H](CN3CCCC3)c3ccccc3)c2C)o1 ZINC000646921430 837467632 /nfs/dbraw/zinc/46/76/32/837467632.db2.gz BAVORDIQHJCBHU-GOSISDBHSA-N -1 3 378.476 3.527 20 0 GHADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)CC(C)(C)OC)cc1F ZINC000414379725 837504517 /nfs/dbraw/zinc/50/45/17/837504517.db2.gz JNLLBXCRQBYLKE-UHFFFAOYSA-N -1 3 383.441 3.793 20 0 GHADHM Cc1ccccc1CCN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000458541323 834418114 /nfs/dbraw/zinc/41/81/14/834418114.db2.gz ANTRZSUMMOZEKR-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCSC4)n3)n[n-]2)c1 ZINC000566635355 834843969 /nfs/dbraw/zinc/84/39/69/834843969.db2.gz SRJKLVVCYLBHSR-VIFPVBQESA-N -1 3 378.255 3.505 20 0 GHADHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000150130613 834862783 /nfs/dbraw/zinc/86/27/83/834862783.db2.gz JBWDKBPDXMADGJ-LBPRGKRZSA-N -1 3 385.261 3.652 20 0 GHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C(F)(F)F)[n-]3)s2)cc1 ZINC000029389271 834971578 /nfs/dbraw/zinc/97/15/78/834971578.db2.gz CWHFHBQZLVVYGY-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM COc1ccc(-c2nc(C)c(C(=O)Nc3nc(C(F)(F)F)n[n-]3)s2)cc1 ZINC000029389271 834971586 /nfs/dbraw/zinc/97/15/86/834971586.db2.gz CWHFHBQZLVVYGY-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(OCC2CC2)cc1 ZINC000511283090 834977994 /nfs/dbraw/zinc/97/79/94/834977994.db2.gz VIEIFCUCEJOYRX-UHFFFAOYSA-N -1 3 386.249 3.560 20 0 GHADHM Cc1nc(C)c(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000685562481 835175956 /nfs/dbraw/zinc/17/59/56/835175956.db2.gz KOFXYMISVNTHES-UHFFFAOYSA-N -1 3 385.489 3.724 20 0 GHADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 ZINC000536156140 835215024 /nfs/dbraw/zinc/21/50/24/835215024.db2.gz VCLRXBSAXATLGC-RDJZCZTQSA-N -1 3 385.316 3.717 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1N1CCCCC1 ZINC000511313865 835238280 /nfs/dbraw/zinc/23/82/80/835238280.db2.gz GKVIEAUBFGHWPY-UHFFFAOYSA-N -1 3 399.292 3.761 20 0 GHADHM O=C(N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc([O-])ccc1Cl ZINC000685633463 835241454 /nfs/dbraw/zinc/24/14/54/835241454.db2.gz SCKOUEBMWHTZAX-HNNXBMFYSA-N -1 3 379.847 3.790 20 0 GHADHM CCc1ccccc1NC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000161950806 835242736 /nfs/dbraw/zinc/24/27/36/835242736.db2.gz VHERUYDLYWHQPA-UHFFFAOYSA-N -1 3 377.282 3.788 20 0 GHADHM CS[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000511317203 835281312 /nfs/dbraw/zinc/28/13/12/835281312.db2.gz YPAHHPMWGPMMJH-OAHLLOKOSA-N -1 3 376.279 3.562 20 0 GHADHM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094014593 835349677 /nfs/dbraw/zinc/34/96/77/835349677.db2.gz MXTFXZKLFGHEIW-UHFFFAOYSA-N -1 3 380.444 3.559 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCC1 ZINC000472356654 835454032 /nfs/dbraw/zinc/45/40/32/835454032.db2.gz UERGFIAKNBOMIJ-UHFFFAOYSA-N -1 3 380.535 3.685 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1sccc1OC(F)F ZINC000151541652 835512114 /nfs/dbraw/zinc/51/21/14/835512114.db2.gz LHHUFODQBIKRJF-UHFFFAOYSA-N -1 3 378.194 3.748 20 0 GHADHM Cc1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000500850239 844066069 /nfs/dbraw/zinc/06/60/69/844066069.db2.gz LVHPDVVMAUPRMA-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151621931 835663236 /nfs/dbraw/zinc/66/32/36/835663236.db2.gz SRVQIBCSERALIL-UHFFFAOYSA-N -1 3 391.265 3.679 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ncccc1[O-] ZINC000471194146 835685824 /nfs/dbraw/zinc/68/58/24/835685824.db2.gz JISVUIFHIDHJBP-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000109245271 835722038 /nfs/dbraw/zinc/72/20/38/835722038.db2.gz JUELKSYCBFAWBS-UHFFFAOYSA-N -1 3 382.441 3.687 20 0 GHADHM CCCCc1nc(NC(=O)Cc2cn(C)c3ccccc23)c(C(=O)OCC)[n-]1 ZINC000584207672 835760595 /nfs/dbraw/zinc/76/05/95/835760595.db2.gz TYGATFGJBSJHMG-UHFFFAOYSA-N -1 3 382.464 3.602 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1cc(F)ccc1Cl ZINC000169095816 835834486 /nfs/dbraw/zinc/83/44/86/835834486.db2.gz BAEMSOQFUYFYCL-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([O-])ccc1Cl ZINC000685739648 835843868 /nfs/dbraw/zinc/84/38/68/835843868.db2.gz FUUYUBAIKAREOM-OAHLLOKOSA-N -1 3 398.768 3.600 20 0 GHADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000513002111 844096311 /nfs/dbraw/zinc/09/63/11/844096311.db2.gz SZKJYFVHLSUJIG-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1C ZINC000548477765 844106372 /nfs/dbraw/zinc/10/63/72/844106372.db2.gz ZFMFQIXYDKXXHJ-UHFFFAOYSA-N -1 3 375.446 3.876 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(F)s2)CC1 ZINC000612381626 836146190 /nfs/dbraw/zinc/14/61/90/836146190.db2.gz GRQDCKWHBLFUQA-UHFFFAOYSA-N -1 3 382.844 3.737 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180758611 836269491 /nfs/dbraw/zinc/26/94/91/836269491.db2.gz VVLYSLCPFIYVCJ-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM CC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000109521865 836369924 /nfs/dbraw/zinc/36/99/24/836369924.db2.gz WSURVRMRNBTFGP-UHFFFAOYSA-N -1 3 375.425 3.974 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000612702567 836622528 /nfs/dbraw/zinc/62/25/28/836622528.db2.gz OXKBUYUFQAMQSX-SNVBAGLBSA-N -1 3 396.394 3.764 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000057305201 836810971 /nfs/dbraw/zinc/81/09/71/836810971.db2.gz HIJXUXAKMGGMTL-INIZCTEOSA-N -1 3 380.275 3.600 20 0 GHADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2O1 ZINC000430374136 836858851 /nfs/dbraw/zinc/85/88/51/836858851.db2.gz JUGHDHOOKAOZCH-UHFFFAOYSA-N -1 3 379.865 3.789 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)ccc1C(F)(F)F ZINC000685900110 836876038 /nfs/dbraw/zinc/87/60/38/836876038.db2.gz HVDURBRNWCOWDV-UHFFFAOYSA-N -1 3 384.423 3.803 20 0 GHADHM CCSc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511390540 836908791 /nfs/dbraw/zinc/90/87/91/836908791.db2.gz JOHNCRYWVAEROF-UHFFFAOYSA-N -1 3 376.279 3.883 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC000430402634 837012598 /nfs/dbraw/zinc/01/25/98/837012598.db2.gz MUIALUHOLJZENM-UHFFFAOYSA-N -1 3 399.406 3.672 20 0 GHADHM O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000175898850 837058895 /nfs/dbraw/zinc/05/88/95/837058895.db2.gz SFWWSXSYJJCFSG-OAHLLOKOSA-N -1 3 378.350 3.654 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1C ZINC000176206166 837220214 /nfs/dbraw/zinc/22/02/14/837220214.db2.gz ZJJLGFYEMPZMBI-UHFFFAOYSA-N -1 3 385.445 3.732 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1Cl ZINC000110122428 844256006 /nfs/dbraw/zinc/25/60/06/844256006.db2.gz ORXKPYCBQCGTAJ-UHFFFAOYSA-N -1 3 384.860 3.889 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H](C2CC2)C1 ZINC000685857418 837369338 /nfs/dbraw/zinc/36/93/38/837369338.db2.gz AUWYTZJDGWBICT-IFMALSPDSA-N -1 3 392.499 3.902 20 0 GHADHM CCOc1ccc2cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)[nH]c2c1 ZINC000783062373 838021269 /nfs/dbraw/zinc/02/12/69/838021269.db2.gz MHZCLORVOQYULR-UHFFFAOYSA-N -1 3 379.372 3.679 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccsc1 ZINC000655860854 838089405 /nfs/dbraw/zinc/08/94/05/838089405.db2.gz IZAOZCQNLRUVCQ-QMCVQRASSA-N -1 3 395.569 3.566 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)c[n-]c12 ZINC000178140147 838276987 /nfs/dbraw/zinc/27/69/87/838276987.db2.gz BDEHBGRIFQDZQG-UHFFFAOYSA-N -1 3 390.418 3.842 20 0 GHADHM O=C(CCOc1ccc(F)c(Cl)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782920365 838396448 /nfs/dbraw/zinc/39/64/48/838396448.db2.gz PSXILYGYYWYBEU-UHFFFAOYSA-N -1 3 392.770 3.747 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)N[N-]C(=O)c3ccccc3F)cs2)cc1 ZINC000024637243 838467561 /nfs/dbraw/zinc/46/75/61/838467561.db2.gz HUMQDHBLTDBBFQ-UHFFFAOYSA-N -1 3 383.448 3.515 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000683743984 838510751 /nfs/dbraw/zinc/51/07/51/838510751.db2.gz FMRUVQIWIBUAMV-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 ZINC000179409055 838541670 /nfs/dbraw/zinc/54/16/70/838541670.db2.gz PZNYFWQHBLAOHP-LJQANCHMSA-N -1 3 391.427 3.700 20 0 GHADHM NC(=O)CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000179518870 838549234 /nfs/dbraw/zinc/54/92/34/838549234.db2.gz XOSQVKIWOHLPEG-UHFFFAOYSA-N -1 3 376.412 3.707 20 0 GHADHM C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659800192 838684814 /nfs/dbraw/zinc/68/48/14/838684814.db2.gz UPYHASJEQXJEPX-KPHUOKFYSA-N -1 3 389.883 3.952 20 0 GHADHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549405466 838692217 /nfs/dbraw/zinc/69/22/17/838692217.db2.gz SNQFNGOMKUEVIB-OAHLLOKOSA-N -1 3 391.480 3.802 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182322769 838703287 /nfs/dbraw/zinc/70/32/87/838703287.db2.gz YTQLNNLWZGZDJE-OAHLLOKOSA-N -1 3 396.340 3.793 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccccc21 ZINC000183000033 838882287 /nfs/dbraw/zinc/88/22/87/838882287.db2.gz DKIMYQJZYDZEKT-OAQYLSRUSA-N -1 3 386.451 3.843 20 0 GHADHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000893207966 838884308 /nfs/dbraw/zinc/88/43/08/838884308.db2.gz YSCRCODKXRXPFS-UHFFFAOYSA-N -1 3 397.784 3.865 20 0 GHADHM Cc1nc(CSc2ccccc2C(=O)N2CCCc3c(=O)[n-]cnc32)cs1 ZINC000893212923 838930025 /nfs/dbraw/zinc/93/00/25/838930025.db2.gz KCKGVNUOGDQGIM-UHFFFAOYSA-N -1 3 398.513 3.832 20 0 GHADHM CCC[C@@H](CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183626945 839017972 /nfs/dbraw/zinc/01/79/72/839017972.db2.gz QCWOIOFWPOCTHH-CYBMUJFWSA-N -1 3 375.494 3.647 20 0 GHADHM COC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000472682375 839103548 /nfs/dbraw/zinc/10/35/48/839103548.db2.gz IKWKNYBNRRJGGR-IBGZPJMESA-N -1 3 392.459 3.537 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000416385635 839119118 /nfs/dbraw/zinc/11/91/18/839119118.db2.gz KKMAWYNDMQJUHB-SECBINFHSA-N -1 3 393.303 3.701 20 0 GHADHM COc1cc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC(C)C ZINC000042167143 839312326 /nfs/dbraw/zinc/31/23/26/839312326.db2.gz IXMHFFYFOVXCCX-LBPRGKRZSA-N -1 3 385.432 3.800 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(C(F)(F)F)n1 ZINC000683901781 839367313 /nfs/dbraw/zinc/36/73/13/839367313.db2.gz BLCNGKJGIZHUOV-UHFFFAOYSA-N -1 3 398.765 3.843 20 0 GHADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000416577641 839452595 /nfs/dbraw/zinc/45/25/95/839452595.db2.gz AESKUCXMPOJUFZ-OTYXRUKQSA-N -1 3 396.734 3.584 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2)ccc1C)C(C)C ZINC000647124390 839486638 /nfs/dbraw/zinc/48/66/38/839486638.db2.gz CUHDEBGKALUPLG-IBGZPJMESA-N -1 3 390.505 3.660 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(C2CC2)cc1 ZINC000416663521 839515764 /nfs/dbraw/zinc/51/57/64/839515764.db2.gz MCLLVFNDRZYJCM-GFCCVEGCSA-N -1 3 377.437 3.529 20 0 GHADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000053210860 839586172 /nfs/dbraw/zinc/58/61/72/839586172.db2.gz GSDKBUKUSMEIDJ-JTQLQIEISA-N -1 3 380.433 3.635 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3ccccc3Cl)cccc21 ZINC000580510090 839712569 /nfs/dbraw/zinc/71/25/69/839712569.db2.gz YFZLTIQSYDJBBD-QGZVFWFLSA-N -1 3 380.897 3.667 20 0 GHADHM O=c1[n-]c(CN[C@@H](c2nccs2)C(F)(F)F)nc2c3ccccc3oc21 ZINC000549852237 844474909 /nfs/dbraw/zinc/47/49/09/844474909.db2.gz NJVNKUWOEKPERP-ZDUSSCGKSA-N -1 3 380.351 3.931 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@H]3CCC(C)C)nc(=O)c2c1C ZINC000472814954 839842671 /nfs/dbraw/zinc/84/26/71/839842671.db2.gz PQZZRXXLPAPUMJ-AWEZNQCLSA-N -1 3 391.537 3.870 20 0 GHADHM CCOc1ccc(-c2noc(CSCc3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000419381747 844521139 /nfs/dbraw/zinc/52/11/39/844521139.db2.gz ISUOZDIDCQTNJL-UHFFFAOYSA-N -1 3 384.461 3.942 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020499232 840352225 /nfs/dbraw/zinc/35/22/25/840352225.db2.gz SCZDUEUGJWRJFX-HNNXBMFYSA-N -1 3 385.427 3.940 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020499232 840352238 /nfs/dbraw/zinc/35/22/38/840352238.db2.gz SCZDUEUGJWRJFX-HNNXBMFYSA-N -1 3 385.427 3.940 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCC2CCCCC2)cc1OC ZINC000149817239 840748431 /nfs/dbraw/zinc/74/84/31/840748431.db2.gz JLCACEMMZKMBBX-UHFFFAOYSA-N -1 3 383.514 3.549 20 0 GHADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1noc(C(F)F)n1 ZINC000644775208 840772077 /nfs/dbraw/zinc/77/20/77/840772077.db2.gz AEDJGPOZWJTJLZ-GFCCVEGCSA-N -1 3 387.386 3.989 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 ZINC000278838343 840785421 /nfs/dbraw/zinc/78/54/21/840785421.db2.gz ZNOFSVSMJNQWGC-RUZDIDTESA-N -1 3 394.562 3.601 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccncc1OCc1ccccc1 ZINC000558139838 840808268 /nfs/dbraw/zinc/80/82/68/840808268.db2.gz GYSPUDMPVOSYPP-UHFFFAOYSA-N -1 3 381.407 3.505 20 0 GHADHM CCOc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610486449 840852238 /nfs/dbraw/zinc/85/22/38/840852238.db2.gz YAXSIZLHRHQEAS-UHFFFAOYSA-N -1 3 383.185 3.648 20 0 GHADHM O=C(CCc1ccccc1F)Nc1cc(I)ccc1[O-] ZINC000610485607 840863216 /nfs/dbraw/zinc/86/32/16/840863216.db2.gz QFTJVMYSQUECBZ-UHFFFAOYSA-N -1 3 385.176 3.707 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc3nc(C)sc3c2)cc1OC ZINC000417554009 840996544 /nfs/dbraw/zinc/99/65/44/840996544.db2.gz IPNNTEQYMKJZDJ-MRXNPFEDSA-N -1 3 386.473 3.928 20 0 GHADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1OCC1CC1)Oc1ccc(F)cc1 ZINC000417555756 840998989 /nfs/dbraw/zinc/99/89/89/840998989.db2.gz FYWURBOPSUZLGQ-IBGZPJMESA-N -1 3 393.842 3.890 20 0 GHADHM COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CCC(=O)[O-])c(Br)c1[O-] ZINC000417619562 841060416 /nfs/dbraw/zinc/06/04/16/841060416.db2.gz FJQHKFGMZTZYHD-AAEUAGOBSA-N -1 3 386.286 3.677 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cc(Br)ccc1F)C(=O)[O-] ZINC000417620108 841060807 /nfs/dbraw/zinc/06/08/07/841060807.db2.gz COXRXXMWRCXQJX-CQSZACIVSA-N -1 3 376.291 3.830 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417629311 841069087 /nfs/dbraw/zinc/06/90/87/841069087.db2.gz WXEAQUSDMCRTRV-IRLDBZIGSA-N -1 3 375.472 3.951 20 0 GHADHM COc1cc(Br)ccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417626356 841077757 /nfs/dbraw/zinc/07/77/57/841077757.db2.gz MWYWKIWKCWJRIL-JKSUJKDBSA-N -1 3 376.250 3.861 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1nc(Br)ccc1Br ZINC000189857297 841253291 /nfs/dbraw/zinc/25/32/91/841253291.db2.gz GYHQTBCKCWERCV-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044906878 841527060 /nfs/dbraw/zinc/52/70/60/841527060.db2.gz SIRAZKLJSUGZLR-OAQYLSRUSA-N -1 3 388.467 3.809 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)cc1)c1c(Cl)cccc1Cl ZINC000066871853 841547279 /nfs/dbraw/zinc/54/72/79/841547279.db2.gz IUPDBELZZLEINC-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(NC(C)=O)ccc2[O-])[C@@H](C)C2CC2)cc1 ZINC000581515739 841576079 /nfs/dbraw/zinc/57/60/79/841576079.db2.gz GEMWQRLYHOKHAL-AWEZNQCLSA-N -1 3 382.460 3.800 20 0 GHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)C[C@@H](OC)C3CCCC3)c2)n1 ZINC000656623516 841593551 /nfs/dbraw/zinc/59/35/51/841593551.db2.gz FZOYCWUUAWVSHR-QGZVFWFLSA-N -1 3 393.509 3.554 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1)C1CCCCC1 ZINC000656624440 841599120 /nfs/dbraw/zinc/59/91/20/841599120.db2.gz OWMUKRMMOXLECB-GOSISDBHSA-N -1 3 378.494 3.987 20 0 GHADHM CC(C)=CCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000191813165 841605483 /nfs/dbraw/zinc/60/54/83/841605483.db2.gz YOLKGXUWLQYIDA-UHFFFAOYSA-N -1 3 393.336 3.624 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1C)c1c(C)noc1C ZINC000119284907 841893628 /nfs/dbraw/zinc/89/36/28/841893628.db2.gz SUSFIOLAEFJTKW-SNVBAGLBSA-N -1 3 393.328 3.853 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000623632084 861255573 /nfs/dbraw/zinc/25/55/73/861255573.db2.gz JRBRHIOMGNGLSV-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(SCc3ccccc3)cn1)c2[O-] ZINC000512006560 842105067 /nfs/dbraw/zinc/10/50/67/842105067.db2.gz HAQUUYZLCJMDEJ-UHFFFAOYSA-N -1 3 391.456 3.614 20 0 GHADHM C[C@@H]1CC[C@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H](C)C1 ZINC001126304313 842209723 /nfs/dbraw/zinc/20/97/23/842209723.db2.gz PRGOBUIHEZDTNB-WWGRRREGSA-N -1 3 385.501 3.884 20 0 GHADHM CCCCN(C)C(=O)C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000613848019 842290474 /nfs/dbraw/zinc/29/04/74/842290474.db2.gz VTMDBARAPDEJLE-UHFFFAOYSA-N -1 3 396.491 3.552 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000730811278 861299128 /nfs/dbraw/zinc/29/91/28/861299128.db2.gz IMUSRONXUFOVQU-QWRGUYRKSA-N -1 3 394.306 3.701 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1)C(F)(F)F ZINC001211677548 842372848 /nfs/dbraw/zinc/37/28/48/842372848.db2.gz JXYLAHQVWJMTDN-NHYWBVRUSA-N -1 3 393.406 3.575 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1Cn1cccn1 ZINC000471774823 842457262 /nfs/dbraw/zinc/45/72/62/842457262.db2.gz UARTVPITNYMGTQ-UHFFFAOYSA-N -1 3 399.447 3.604 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)c2)n1 ZINC000049303296 842467468 /nfs/dbraw/zinc/46/74/68/842467468.db2.gz MTKMFGZAXBEASO-UHFFFAOYSA-N -1 3 399.454 3.812 20 0 GHADHM CN1CCN(Cc2cccc(Nc3ccc(F)c(Br)c3[O-])c2)CC1 ZINC001204573674 842494635 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0 GHADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000127576555 842679523 /nfs/dbraw/zinc/67/95/23/842679523.db2.gz MINDUINBOOYACT-UHFFFAOYSA-N -1 3 392.706 3.562 20 0 GHADHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000657058846 842681764 /nfs/dbraw/zinc/68/17/64/842681764.db2.gz VUTQGZHQOLGBAJ-LLVKDONJSA-N -1 3 396.734 3.586 20 0 GHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000481416057 861335203 /nfs/dbraw/zinc/33/52/03/861335203.db2.gz GZPWSBLOIPMQRG-UHFFFAOYSA-N -1 3 391.468 3.544 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000471837128 842774177 /nfs/dbraw/zinc/77/41/77/842774177.db2.gz ZBMQUMKNOHOZJX-HNNXBMFYSA-N -1 3 398.463 3.927 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)cnn1C(CC)CC ZINC000581947279 842791950 /nfs/dbraw/zinc/79/19/50/842791950.db2.gz SOAKQOHFENRLHQ-UHFFFAOYSA-N -1 3 391.537 3.726 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c(C)c1C ZINC000028258870 842876497 /nfs/dbraw/zinc/87/64/97/842876497.db2.gz PGHUWACHHWROBQ-UHFFFAOYSA-N -1 3 380.897 3.782 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c1 ZINC000187123067 842904867 /nfs/dbraw/zinc/90/48/67/842904867.db2.gz XNMCZVKUWMPNJH-UHFFFAOYSA-N -1 3 376.547 3.653 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000436538910 842954518 /nfs/dbraw/zinc/95/45/18/842954518.db2.gz XBIXMDUGAYMGEF-OAHLLOKOSA-N -1 3 393.399 3.538 20 0 GHADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CC1(O)CCCCCC1 ZINC000187355364 843001537 /nfs/dbraw/zinc/00/15/37/843001537.db2.gz USDXQHZVSVYLHH-UHFFFAOYSA-N -1 3 387.505 3.762 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1O ZINC000185835956 843034200 /nfs/dbraw/zinc/03/42/00/843034200.db2.gz SXLXPHNFSPHZML-KRWDZBQOSA-N -1 3 382.460 3.639 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3C)n2)cc1F ZINC000471867788 843046420 /nfs/dbraw/zinc/04/64/20/843046420.db2.gz CCFVEUSURUDDPP-AWEZNQCLSA-N -1 3 389.452 3.673 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC000510622981 843070338 /nfs/dbraw/zinc/07/03/38/843070338.db2.gz UHXNXVKLPVZCDY-NSHDSACASA-N -1 3 384.361 3.549 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cn(-c2ccccc2)nn1 ZINC000471894029 843299718 /nfs/dbraw/zinc/29/97/18/843299718.db2.gz WGYQGZBPUNSMEH-LLVKDONJSA-N -1 3 397.287 3.614 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000603973440 843589128 /nfs/dbraw/zinc/58/91/28/843589128.db2.gz LUCPOUUBQITJNW-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)[n-]1 ZINC000617877670 843621652 /nfs/dbraw/zinc/62/16/52/843621652.db2.gz VBBFLOJCHJVIDA-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c[n-]1 ZINC000617877670 843621658 /nfs/dbraw/zinc/62/16/58/843621658.db2.gz VBBFLOJCHJVIDA-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(OCCC)c1 ZINC000429805220 843672868 /nfs/dbraw/zinc/67/28/68/843672868.db2.gz AAYQSBPQNBBARZ-UHFFFAOYSA-N -1 3 395.463 3.620 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(OCCC)c1 ZINC000429805220 843672875 /nfs/dbraw/zinc/67/28/75/843672875.db2.gz AAYQSBPQNBBARZ-UHFFFAOYSA-N -1 3 395.463 3.620 20 0 GHADHM CC[C@@H](CNC(=O)NCc1ncccc1[O-])Cc1cccc(Br)c1 ZINC000471935898 843696274 /nfs/dbraw/zinc/69/62/74/843696274.db2.gz HRNFUMBALPUDPA-CYBMUJFWSA-N -1 3 392.297 3.618 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cc(Br)ccc1F ZINC000500606013 843728039 /nfs/dbraw/zinc/72/80/39/843728039.db2.gz UQBVYQIKVDAETE-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000092263043 843746273 /nfs/dbraw/zinc/74/62/73/843746273.db2.gz IZQZWPCSUKLFRH-CYBMUJFWSA-N -1 3 379.379 3.575 20 0 GHADHM CCOc1cc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)ccc1OC ZINC000432777152 843781111 /nfs/dbraw/zinc/78/11/11/843781111.db2.gz TVWHTYCVRZZOHM-UHFFFAOYSA-N -1 3 385.869 3.865 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccsc1 ZINC000061365516 861457220 /nfs/dbraw/zinc/45/72/20/861457220.db2.gz TZUCIQRBCTXDDD-ZETCQYMHSA-N -1 3 381.704 3.599 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCC(OCCOC)CC3)c2)n1 ZINC000279924114 843918559 /nfs/dbraw/zinc/91/85/59/843918559.db2.gz MXMZFOZBLKEKGO-UHFFFAOYSA-N -1 3 399.491 3.572 20 0 GHADHM CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cc([O-])cc(F)c1 ZINC000512584898 844662062 /nfs/dbraw/zinc/66/20/62/844662062.db2.gz AHDBGXYPIQBJBV-UHFFFAOYSA-N -1 3 396.484 3.573 20 0 GHADHM CC[C@@H]1CCCC[C@H]1OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000729082650 844713315 /nfs/dbraw/zinc/71/33/15/844713315.db2.gz XZHMXXTZKTXPDS-CRAIPNDOSA-N -1 3 383.510 3.728 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2cnc3ccccc3c2C(F)(F)F)s1 ZINC000610872013 844729356 /nfs/dbraw/zinc/72/93/56/844729356.db2.gz UATHWPUDZXSIAD-UHFFFAOYSA-N -1 3 396.350 3.534 20 0 GHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000277169470 845015416 /nfs/dbraw/zinc/01/54/16/845015416.db2.gz DQLCQCKUSRDSTO-OAHLLOKOSA-N -1 3 394.265 3.772 20 0 GHADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc2c(cc1[O-])OCO2 ZINC000436888373 845031402 /nfs/dbraw/zinc/03/14/02/845031402.db2.gz UFDDXGQNBYJFON-CQSZACIVSA-N -1 3 377.343 3.530 20 0 GHADHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)C ZINC000433678632 845185580 /nfs/dbraw/zinc/18/55/80/845185580.db2.gz QLTSNELCJUAKLP-LLVKDONJSA-N -1 3 384.361 3.549 20 0 GHADHM O=c1[n-]c(SCCO[C@@H]2CC2(F)F)nc2c1cnn2-c1cccc(Cl)c1 ZINC000657240811 845322582 /nfs/dbraw/zinc/32/25/82/845322582.db2.gz IETPTJRAHXCQOD-GFCCVEGCSA-N -1 3 398.822 3.691 20 0 GHADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ncc(Br)cc1Br ZINC000277217580 845328933 /nfs/dbraw/zinc/32/89/33/845328933.db2.gz HQKDIRVFQLAAFE-LLVKDONJSA-N -1 3 394.107 3.586 20 0 GHADHM CC1(C)C[C@@H](Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)CO1 ZINC000657241342 845340921 /nfs/dbraw/zinc/34/09/21/845340921.db2.gz MNSXKBSLZXYSIQ-GFCCVEGCSA-N -1 3 376.869 3.834 20 0 GHADHM 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ZINC000506794272 850941652 /nfs/dbraw/zinc/94/16/52/850941652.db2.gz HNHVWDVSHJYOJV-UHFFFAOYSA-N -1 3 389.395 3.617 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1OC ZINC000519363090 850982255 /nfs/dbraw/zinc/98/22/55/850982255.db2.gz IWUGESPEXJPJCW-UHFFFAOYSA-N -1 3 379.331 3.663 20 0 GHADHM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(CN2CCCC2)c1 ZINC000910103649 851000718 /nfs/dbraw/zinc/00/07/18/851000718.db2.gz SDDXWQREZJQGCM-SFTDATJTSA-N -1 3 378.472 3.713 20 0 GHADHM COc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1C=O ZINC000910177553 851047435 /nfs/dbraw/zinc/04/74/35/851047435.db2.gz RLDKBJOWXSGNMD-JTQLQIEISA-N -1 3 386.429 3.753 20 0 GHADHM COc1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc(OC)c1[O-] ZINC000513957893 851059783 /nfs/dbraw/zinc/05/97/83/851059783.db2.gz HPRBPDZADQZTAQ-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM Cc1nc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1C(=O)[O-] ZINC000910276941 851101447 /nfs/dbraw/zinc/10/14/47/851101447.db2.gz OFTDWYVLMMFABM-UHFFFAOYSA-N -1 3 393.409 3.819 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000910301209 851113302 /nfs/dbraw/zinc/11/33/02/851113302.db2.gz IOEBIXYUVIPICQ-JRGCBEDISA-N -1 3 396.462 3.865 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000436014604 851123486 /nfs/dbraw/zinc/12/34/86/851123486.db2.gz RYEVMBUKWXGCEM-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000910367406 851158165 /nfs/dbraw/zinc/15/81/65/851158165.db2.gz GSUYWOFQGVSVRX-PZJWPPBQSA-N -1 3 398.478 3.678 20 0 GHADHM Cc1csc(CC2(O)CCN(c3c(C(=O)[O-])cnc4ccc(C)cc43)CC2)n1 ZINC000910385670 851181462 /nfs/dbraw/zinc/18/14/62/851181462.db2.gz LUVNSSCATNCUCU-UHFFFAOYSA-N -1 3 397.500 3.580 20 0 GHADHM CC(=O)N(c1nc(COC(=O)c2cncc([O-])c2)cs1)c1ccc(C)cc1C ZINC000732392150 862255016 /nfs/dbraw/zinc/25/50/16/862255016.db2.gz BOXKQTMOIAVBHS-UHFFFAOYSA-N -1 3 397.456 3.902 20 0 GHADHM CCCN(C(=O)c1ccc(C(=O)[O-])c(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226428 851651109 /nfs/dbraw/zinc/65/11/09/851651109.db2.gz FAGBDDDDGIBFKL-IBGZPJMESA-N -1 3 395.503 3.605 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1sc2ccccc2c1Cl ZINC000911280154 851661281 /nfs/dbraw/zinc/66/12/81/851661281.db2.gz OWNKOGKXPLLZHB-CYBMUJFWSA-N -1 3 394.924 3.956 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000911299877 851671871 /nfs/dbraw/zinc/67/18/71/851671871.db2.gz BTPBUVFBACUMSO-UHFFFAOYSA-N -1 3 388.895 3.561 20 0 GHADHM Cc1cc(C(=O)[O-])oc1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000911300565 851672639 /nfs/dbraw/zinc/67/26/39/851672639.db2.gz PIXGHORMRJPHPR-UHFFFAOYSA-N -1 3 398.381 3.509 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cc2cc(Cl)ccc2s1 ZINC000911288857 851677905 /nfs/dbraw/zinc/67/79/05/851677905.db2.gz UTGMBGKOTXVBRY-HNNXBMFYSA-N -1 3 394.924 3.956 20 0 GHADHM CCN(c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cn1)C(C)C ZINC000488661313 851679309 /nfs/dbraw/zinc/67/93/09/851679309.db2.gz RLJUNYMXKFIGMV-UHFFFAOYSA-N -1 3 392.297 3.714 20 0 GHADHM CCCOc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488655925 851687126 /nfs/dbraw/zinc/68/71/26/851687126.db2.gz JNZQIPSWCKLTRY-UHFFFAOYSA-N -1 3 394.265 3.639 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N(C)c1ccccc1 ZINC000488968829 851901616 /nfs/dbraw/zinc/90/16/16/851901616.db2.gz GQPYGLGLBIDKJA-GFCCVEGCSA-N -1 3 390.402 3.648 20 0 GHADHM CCSCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436505126 851989827 /nfs/dbraw/zinc/98/98/27/851989827.db2.gz RPTPXJUSTOARIE-LJQANCHMSA-N -1 3 386.517 3.513 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1Cl ZINC000760633715 851996114 /nfs/dbraw/zinc/99/61/14/851996114.db2.gz OIFXQVUPQXXJBG-MRXNPFEDSA-N -1 3 394.283 3.851 20 0 GHADHM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436525789 852015282 /nfs/dbraw/zinc/01/52/82/852015282.db2.gz ORBQXLRHIQAAPK-OAHLLOKOSA-N -1 3 390.505 3.561 20 0 GHADHM NC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1Cl ZINC000436531771 852021982 /nfs/dbraw/zinc/02/19/82/852021982.db2.gz WXZZFCWKIUGBAW-UHFFFAOYSA-N -1 3 396.830 3.976 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436532524 852024067 /nfs/dbraw/zinc/02/40/67/852024067.db2.gz RSWNKFFKKOTQPL-NRFANRHFSA-N -1 3 375.472 3.792 20 0 GHADHM CCCC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436555569 852042721 /nfs/dbraw/zinc/04/27/21/852042721.db2.gz JJELUWJDTSKNGR-FQEVSTJZSA-N -1 3 380.488 3.950 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000506180341 852047826 /nfs/dbraw/zinc/04/78/26/852047826.db2.gz WIUYMXUBZHXZDE-JSGCOSHPSA-N -1 3 377.872 3.694 20 0 GHADHM COc1ccc(Cl)cc1C1(CNC(=O)c2ccc(C)cc2[O-])CCOCC1 ZINC000436537047 852048555 /nfs/dbraw/zinc/04/85/55/852048555.db2.gz XHLXSCQJEKVWPF-UHFFFAOYSA-N -1 3 389.879 3.841 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1C ZINC000436558574 852062376 /nfs/dbraw/zinc/06/23/76/852062376.db2.gz QFNWTQXZIBDLMA-GASCZTMLSA-N -1 3 382.460 3.511 20 0 GHADHM Cc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)c([O-])c1 ZINC000436561956 852065276 /nfs/dbraw/zinc/06/52/76/852065276.db2.gz HRBIJMJFHJBKGD-SFHVURJKSA-N -1 3 396.487 3.577 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)[n-]1 ZINC000550223380 852067514 /nfs/dbraw/zinc/06/75/14/852067514.db2.gz CACADQPPBRVDLN-UHFFFAOYSA-N -1 3 393.371 3.779 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c([O-])c1 ZINC000436593643 852080422 /nfs/dbraw/zinc/08/04/22/852080422.db2.gz BXFDABUHSTVYOJ-KRWDZBQOSA-N -1 3 394.450 3.658 20 0 GHADHM O=C(NCc1nccn1CC(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436599789 852085718 /nfs/dbraw/zinc/08/57/18/852085718.db2.gz DILWOMWFQVRZEM-UHFFFAOYSA-N -1 3 389.377 3.672 20 0 GHADHM C[C@H](NC(=O)c1ccccc1[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC000436587551 852095822 /nfs/dbraw/zinc/09/58/22/852095822.db2.gz XCXGDXDLZRSMLG-JTQLQIEISA-N -1 3 388.221 3.696 20 0 GHADHM CC(C)OCc1nc([C@@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000436608774 852107208 /nfs/dbraw/zinc/10/72/08/852107208.db2.gz KTCPYERZCMBZRX-OAHLLOKOSA-N -1 3 395.459 3.782 20 0 GHADHM CO[C@@H](C)CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)C ZINC000436615944 852115442 /nfs/dbraw/zinc/11/54/42/852115442.db2.gz BXELHWCSSOMXGJ-UWJYYQICSA-N -1 3 398.503 3.525 20 0 GHADHM C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436616500 852116516 /nfs/dbraw/zinc/11/65/16/852116516.db2.gz FABCLDHVDUCNLT-AWEZNQCLSA-N -1 3 389.293 3.674 20 0 GHADHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(O)cc1[O-] ZINC000436616935 852116802 /nfs/dbraw/zinc/11/68/02/852116802.db2.gz LKZKTBJGXSUVLO-UHFFFAOYSA-N -1 3 394.393 3.511 20 0 GHADHM O=C(Nc1ncccc1[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000029234889 862322650 /nfs/dbraw/zinc/32/26/50/862322650.db2.gz HQKMDZWKWGHCQV-LBPRGKRZSA-N -1 3 394.258 3.585 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCCOc2ccc(Cl)cc2)c1 ZINC000517605654 852145461 /nfs/dbraw/zinc/14/54/61/852145461.db2.gz DFZMCUIGLVZCJT-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436648472 852158550 /nfs/dbraw/zinc/15/85/50/852158550.db2.gz LZFQZRDYXSVFAS-LJQANCHMSA-N -1 3 375.428 3.631 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OCC ZINC000436662531 852159900 /nfs/dbraw/zinc/15/99/00/852159900.db2.gz JAWIKOMELMTMSY-CYBMUJFWSA-N -1 3 389.448 3.698 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1OCc1ccncc1 ZINC000426673134 852175892 /nfs/dbraw/zinc/17/58/92/852175892.db2.gz VRHIPNADRFBWLM-QFIPXVFZSA-N -1 3 392.455 3.893 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436690379 852200659 /nfs/dbraw/zinc/20/06/59/852200659.db2.gz QBFWJAIGQRPPRN-BEFAXECRSA-N -1 3 398.528 3.986 20 0 GHADHM COc1ccc(C(=O)N2CCC(F)(c3cc(OC)cc(OC)c3)CC2)c([O-])c1 ZINC000436701036 852217473 /nfs/dbraw/zinc/21/74/73/852217473.db2.gz YPWYVNSHHFMFLX-UHFFFAOYSA-N -1 3 389.423 3.519 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000436727069 852229353 /nfs/dbraw/zinc/22/93/53/852229353.db2.gz XGRKUPFSGVLNJH-IRXDYDNUSA-N -1 3 380.488 3.502 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c([O-])c1 ZINC000436726365 852230279 /nfs/dbraw/zinc/23/02/79/852230279.db2.gz UMSBRQYMKHNAFP-UHFFFAOYSA-N -1 3 392.459 3.980 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436716977 852239178 /nfs/dbraw/zinc/23/91/78/852239178.db2.gz UXHOZOCBLIWWCG-HNAYVOBHSA-N -1 3 382.460 3.813 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c([O-])c1 ZINC000436717597 852241580 /nfs/dbraw/zinc/24/15/80/852241580.db2.gz UCGJBCRMAMOTPN-UHFFFAOYSA-N -1 3 376.460 3.901 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccc(O)cc1[O-] ZINC000436740893 852258775 /nfs/dbraw/zinc/25/87/75/852258775.db2.gz AVBZIRNNMCKKBX-AWEZNQCLSA-N -1 3 380.469 3.757 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCN1CC(F)(F)F ZINC000436731894 852271410 /nfs/dbraw/zinc/27/14/10/852271410.db2.gz NYQWXWKZHZYRNF-AWEZNQCLSA-N -1 3 394.393 3.893 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506211888 852282390 /nfs/dbraw/zinc/28/23/90/852282390.db2.gz VLSAGHSYHYFCDB-UHFFFAOYSA-N -1 3 383.383 3.548 20 0 GHADHM Cc1nc2sc3c(c2c(NCCNC(=O)c2ccc([O-])cc2)n1)CCCCC3 ZINC000436751056 852291885 /nfs/dbraw/zinc/29/18/85/852291885.db2.gz ZQEHOUCXJFADHH-UHFFFAOYSA-N -1 3 396.516 3.816 20 0 GHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426722921 852308301 /nfs/dbraw/zinc/30/83/01/852308301.db2.gz XKVJJCMVPDNTNJ-QGZVFWFLSA-N -1 3 396.409 3.994 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436798733 852330794 /nfs/dbraw/zinc/33/07/94/852330794.db2.gz VLOIQGZFTUXUTJ-KRWDZBQOSA-N -1 3 380.488 3.615 20 0 GHADHM CCSc1cccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)c1 ZINC000436786431 852340486 /nfs/dbraw/zinc/34/04/86/852340486.db2.gz JAQVJAIKWHLXNY-UHFFFAOYSA-N -1 3 383.473 3.835 20 0 GHADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436787903 852341303 /nfs/dbraw/zinc/34/13/03/852341303.db2.gz RKRNRRMFHOJJKU-ZDUSSCGKSA-N -1 3 388.489 3.517 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436805751 852364931 /nfs/dbraw/zinc/36/49/31/852364931.db2.gz SGMGFTJUKYUEOT-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM O=C([O-])[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1 ZINC000426808236 852395949 /nfs/dbraw/zinc/39/59/49/852395949.db2.gz QRYGJZGKEXNLRU-QGZVFWFLSA-N -1 3 386.249 3.755 20 0 GHADHM O=C([O-])[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccc(Br)cc1 ZINC000426796194 852405146 /nfs/dbraw/zinc/40/51/46/852405146.db2.gz AVRDTWCOCJUYDY-MRXNPFEDSA-N -1 3 377.213 3.985 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1OCc1cccnc1 ZINC000426830067 852416523 /nfs/dbraw/zinc/41/65/23/852416523.db2.gz UZTBADNTFFZDOO-LJQANCHMSA-N -1 3 384.457 3.646 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[O-] ZINC000436859710 852423127 /nfs/dbraw/zinc/42/31/27/852423127.db2.gz CHJOVGVWWZRDPB-UHFFFAOYSA-N -1 3 382.397 3.699 20 0 GHADHM O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436860574 852424036 /nfs/dbraw/zinc/42/40/36/852424036.db2.gz PKMORLZPTKNKFC-FQEVSTJZSA-N -1 3 393.487 3.990 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3ccc(C(C)=O)c([O-])c3)n2)cc1OC ZINC000436863436 852427548 /nfs/dbraw/zinc/42/75/48/852427548.db2.gz UHMNFSWIAVQZBU-UHFFFAOYSA-N -1 3 398.440 3.988 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(C3(c4cc(F)ccc4C)CC3)no2)c([O-])c1 ZINC000436885543 852458699 /nfs/dbraw/zinc/45/86/99/852458699.db2.gz JYLIDNJVQYGOSJ-UHFFFAOYSA-N -1 3 395.434 3.584 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C(C)C)C3)nc(=O)c2c1C ZINC000438499028 852489813 /nfs/dbraw/zinc/48/98/13/852489813.db2.gz ZFHHTVSVJWYJPF-STQMWFEESA-N -1 3 377.510 3.509 20 0 GHADHM O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507024679 852491432 /nfs/dbraw/zinc/49/14/32/852491432.db2.gz BEYUIESOLLCVFG-UHFFFAOYSA-N -1 3 388.851 3.625 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436921006 852501481 /nfs/dbraw/zinc/50/14/81/852501481.db2.gz BJMNXZSBRBTCDS-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM COc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3[O-])c2)cn1 ZINC000436923293 852504581 /nfs/dbraw/zinc/50/45/81/852504581.db2.gz SRWNVDHFRZXPEL-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436949536 852513631 /nfs/dbraw/zinc/51/36/31/852513631.db2.gz KUWNXJUDMKMCBL-LJQANCHMSA-N -1 3 380.444 3.641 20 0 GHADHM O=C(CC/C=C/c1ccccc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436952629 852543297 /nfs/dbraw/zinc/54/32/97/852543297.db2.gz YAXUTSSIEORSII-ONNFQVAWSA-N -1 3 378.472 3.607 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCC[C@H](C)C2)c1 ZINC000436970770 852552869 /nfs/dbraw/zinc/55/28/69/852552869.db2.gz MNHYOKOEOYHMKD-DZGCQCFKSA-N -1 3 385.464 3.887 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)c([O-])c1 ZINC000436976338 852561734 /nfs/dbraw/zinc/56/17/34/852561734.db2.gz BTCFROQUHMGNAF-UHFFFAOYSA-N -1 3 384.476 3.542 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436977399 852563502 /nfs/dbraw/zinc/56/35/02/852563502.db2.gz DRWFXYVFSJAGLH-TZMCWYRMSA-N -1 3 389.521 3.893 20 0 GHADHM CCC[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436991400 852580273 /nfs/dbraw/zinc/58/02/73/852580273.db2.gz XVOGKKKKUDBDJG-ZDUSSCGKSA-N -1 3 375.494 3.599 20 0 GHADHM COc1ccc(F)cc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000426078228 852624161 /nfs/dbraw/zinc/62/41/61/852624161.db2.gz IEFCPHSHULBQGZ-UHFFFAOYSA-N -1 3 382.395 3.627 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000427083631 852701202 /nfs/dbraw/zinc/70/12/02/852701202.db2.gz BHEUYSDDKACFQW-UHFFFAOYSA-N -1 3 391.475 3.735 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427083631 852701204 /nfs/dbraw/zinc/70/12/04/852701204.db2.gz BHEUYSDDKACFQW-UHFFFAOYSA-N -1 3 391.475 3.735 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000505970205 852742814 /nfs/dbraw/zinc/74/28/14/852742814.db2.gz GOHJNPYLYVIUHP-AWEZNQCLSA-N -1 3 399.661 3.888 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)ccc2O1 ZINC000438717494 852746500 /nfs/dbraw/zinc/74/65/00/852746500.db2.gz ATPDPGZAALWPRG-SECBINFHSA-N -1 3 386.242 3.712 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000427246861 852899025 /nfs/dbraw/zinc/89/90/25/852899025.db2.gz UTHVTOFXAZRBMB-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1ccccc1C(F)F)Cc1ccc([O-])c(F)c1 ZINC000425763207 852942493 /nfs/dbraw/zinc/94/24/93/852942493.db2.gz RCWMVFIMAVFJIX-LBPRGKRZSA-N -1 3 396.365 3.622 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3csc(-c4ccc(C)o4)n3)nc21 ZINC000157765357 862416598 /nfs/dbraw/zinc/41/65/98/862416598.db2.gz OHPKGMBYOMFITJ-UHFFFAOYSA-N -1 3 396.428 3.556 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nccn2-c2ccccc2)sc1Cl ZINC000516799164 853020099 /nfs/dbraw/zinc/02/00/99/853020099.db2.gz LPOXPZZZYJFJJA-LBPRGKRZSA-N -1 3 381.910 3.935 20 0 GHADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000516818853 853037842 /nfs/dbraw/zinc/03/78/42/853037842.db2.gz FJIDDXQTUZTEPD-LLVKDONJSA-N -1 3 393.852 3.863 20 0 GHADHM CO[C@@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CCC1 ZINC000664872745 853042876 /nfs/dbraw/zinc/04/28/76/853042876.db2.gz MBHHISNIQKBTIN-GFCCVEGCSA-N -1 3 390.241 3.772 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)OC ZINC000490527391 853075254 /nfs/dbraw/zinc/07/52/54/853075254.db2.gz MTUNKLPCXAZZRZ-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NCc1cccc(Br)c1[O-] ZINC000151143563 853108738 /nfs/dbraw/zinc/10/87/38/853108738.db2.gz PGXLYXNJWPIKKZ-UHFFFAOYSA-N -1 3 391.309 3.907 20 0 GHADHM CCN(Cc1cc2c(cc1Br)OCCO2)C1CCC(C(=O)[O-])CC1 ZINC000516879291 853109588 /nfs/dbraw/zinc/10/95/88/853109588.db2.gz VJODUWCJSOERHO-UHFFFAOYSA-N -1 3 398.297 3.686 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000438951178 853124210 /nfs/dbraw/zinc/12/42/10/853124210.db2.gz UOVGHAZTNJVGGO-CQSZACIVSA-N -1 3 376.400 3.986 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)o1 ZINC000490626493 853150265 /nfs/dbraw/zinc/15/02/65/853150265.db2.gz HMXDPZZOSZOXDD-UHFFFAOYSA-N -1 3 398.912 3.856 20 0 GHADHM Cc1csc([C@@H](NCc2cc(=O)oc3c(C)c([O-])ccc23)C(F)(F)F)n1 ZINC000295534754 853256513 /nfs/dbraw/zinc/25/65/13/853256513.db2.gz VQWAWTPLVNQVNA-OAHLLOKOSA-N -1 3 384.379 3.965 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2cc(F)ccc2F)[nH][n-]1 ZINC000439159525 853348664 /nfs/dbraw/zinc/34/86/64/853348664.db2.gz JMEGQVOZIAAEEF-UHFFFAOYSA-N -1 3 377.778 3.620 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)[nH][n-]2)c1 ZINC000439153872 853362579 /nfs/dbraw/zinc/36/25/79/853362579.db2.gz FZORQPJRFDWUFL-UHFFFAOYSA-N -1 3 388.471 3.645 20 0 GHADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)no1 ZINC000163522808 862457375 /nfs/dbraw/zinc/45/73/75/862457375.db2.gz KIVMTCTVNNFVFL-UHFFFAOYSA-N -1 3 392.419 3.956 20 0 GHADHM CCn1cc(C(=O)Nc2ccc(Br)cc2[O-])c(C(F)(F)F)n1 ZINC000518471334 853386173 /nfs/dbraw/zinc/38/61/73/853386173.db2.gz NZNZURLTBIMFAC-UHFFFAOYSA-N -1 3 378.148 3.642 20 0 GHADHM O=S(=O)([N-]c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000518493357 853423889 /nfs/dbraw/zinc/42/38/89/853423889.db2.gz BLWPDAPASVUHGI-UHFFFAOYSA-N -1 3 397.431 3.853 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000604772589 862465318 /nfs/dbraw/zinc/46/53/18/862465318.db2.gz RSMCFHQXLNOJDJ-RNCFNFMXSA-N -1 3 395.324 3.957 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC001212143129 853508488 /nfs/dbraw/zinc/50/84/88/853508488.db2.gz SWQQBJMJYMOLRY-TZMCWYRMSA-N -1 3 386.926 3.810 20 0 GHADHM COc1ccc(OCc2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)cc1 ZINC000517205722 853516023 /nfs/dbraw/zinc/51/60/23/853516023.db2.gz HWMMJPASVHMGQP-UHFFFAOYSA-N -1 3 377.759 3.702 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440713058 853533924 /nfs/dbraw/zinc/53/39/24/853533924.db2.gz MPHYTCRCLALYIV-QFBILLFUSA-N -1 3 377.444 3.679 20 0 GHADHM C[C@@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC(C)(C)C ZINC000025690334 853535572 /nfs/dbraw/zinc/53/55/72/853535572.db2.gz LVCSZHGIOIVPIM-SNVBAGLBSA-N -1 3 391.518 3.781 20 0 GHADHM O=C(NNC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1[O-] ZINC000054922497 853597668 /nfs/dbraw/zinc/59/76/68/853597668.db2.gz VXVSNOQDGBVXSZ-UHFFFAOYSA-N -1 3 379.441 3.816 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000519946274 853639162 /nfs/dbraw/zinc/63/91/62/853639162.db2.gz NZXVIAGCIZCGPE-UHFFFAOYSA-N -1 3 377.404 3.760 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cccc4cccnc43)[n-]c(=O)c12 ZINC000519975878 853705413 /nfs/dbraw/zinc/70/54/13/853705413.db2.gz AABMMERDOFQSLA-UHFFFAOYSA-N -1 3 392.440 3.666 20 0 GHADHM Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000440902426 853733378 /nfs/dbraw/zinc/73/33/78/853733378.db2.gz IQCHWCMPVHMMGI-UHFFFAOYSA-N -1 3 399.882 3.650 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)c2ccccc2)s1 ZINC000519996792 853735778 /nfs/dbraw/zinc/73/57/78/853735778.db2.gz BSTXRKQCVKIUEP-ZDUSSCGKSA-N -1 3 381.519 3.569 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnn2cccnc12 ZINC000440940262 853771872 /nfs/dbraw/zinc/77/18/72/853771872.db2.gz GMJDUPIOBPBMSI-UHFFFAOYSA-N -1 3 387.424 3.964 20 0 GHADHM O=c1cc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)nc(C2CC2)[n-]1 ZINC000417002170 854062399 /nfs/dbraw/zinc/06/23/99/854062399.db2.gz AGSPZIHSCUEPPC-HNNXBMFYSA-N -1 3 375.856 3.883 20 0 GHADHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccs1 ZINC000571805965 854162309 /nfs/dbraw/zinc/16/23/09/854162309.db2.gz FYDWSDLQWHPHCE-CQSZACIVSA-N -1 3 377.890 3.579 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473900083 854182516 /nfs/dbraw/zinc/18/25/16/854182516.db2.gz FMQSFALDLFHCHH-UHFFFAOYSA-N -1 3 387.443 3.741 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473900083 854182523 /nfs/dbraw/zinc/18/25/23/854182523.db2.gz FMQSFALDLFHCHH-UHFFFAOYSA-N -1 3 387.443 3.741 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473915101 854257031 /nfs/dbraw/zinc/25/70/31/854257031.db2.gz SUHVLYAIQQAABZ-UHFFFAOYSA-N -1 3 383.455 3.951 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473915101 854257039 /nfs/dbraw/zinc/25/70/39/854257039.db2.gz SUHVLYAIQQAABZ-UHFFFAOYSA-N -1 3 383.455 3.951 20 0 GHADHM O=c1cc(CNc2nc3cc(Br)ccc3o2)nc(C2CCC2)[n-]1 ZINC000894964942 854283605 /nfs/dbraw/zinc/28/36/05/854283605.db2.gz ANNWIMQMHLWJPP-UHFFFAOYSA-N -1 3 375.226 3.966 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](c3ccccc3)C(C)C)nc(=O)c2c1C ZINC000112699316 854294419 /nfs/dbraw/zinc/29/44/19/854294419.db2.gz SYCVMLMSJYAANU-QGZVFWFLSA-N -1 3 399.516 3.909 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1cc(-c2ccccc2)on1 ZINC000588680870 854355822 /nfs/dbraw/zinc/35/58/22/854355822.db2.gz DVQOOKSPMWWFNK-UHFFFAOYSA-N -1 3 395.440 3.616 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000133504849 862576472 /nfs/dbraw/zinc/57/64/72/862576472.db2.gz DTWIGPZECYPIAK-VXGBXAGGSA-N -1 3 377.282 3.941 20 0 GHADHM CCN(C)[C@H](C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1)c1ccccc1 ZINC000068424516 854581608 /nfs/dbraw/zinc/58/16/08/854581608.db2.gz UNTQATDLRAPUJP-SFHVURJKSA-N -1 3 399.564 3.675 20 0 GHADHM CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCCCC1 ZINC000068627710 854602511 /nfs/dbraw/zinc/60/25/11/854602511.db2.gz YEXXGYRDSLDGRJ-UHFFFAOYSA-N -1 3 383.514 3.643 20 0 GHADHM C[C@@H](N[C@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nccn1C ZINC000624016099 862584352 /nfs/dbraw/zinc/58/43/52/862584352.db2.gz NPFHBJLYZULHLP-HZPDHXFCSA-N -1 3 384.505 3.633 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C4CC4)C3)nc(=O)c2c1C ZINC000588978337 854623935 /nfs/dbraw/zinc/62/39/35/854623935.db2.gz UYVUFLNUCBIPHG-OCCSQVGLSA-N -1 3 389.521 3.653 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Br)c1 ZINC000589148824 854723635 /nfs/dbraw/zinc/72/36/35/854723635.db2.gz HKPYTFFUADAMSV-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000169858236 862603685 /nfs/dbraw/zinc/60/36/85/862603685.db2.gz ZSCZBFGVVTWLPB-UHFFFAOYSA-N -1 3 396.531 3.720 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1C1CC1)c1cc(F)ccc1Br ZINC001212158296 854851277 /nfs/dbraw/zinc/85/12/77/854851277.db2.gz PCRAOXDJWWCXOR-DGCLKSJQSA-N -1 3 376.291 3.693 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000520448865 854881954 /nfs/dbraw/zinc/88/19/54/854881954.db2.gz VTSVKJXSAWIFTM-GXTWGEPZSA-N -1 3 377.872 3.694 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000589689079 855107930 /nfs/dbraw/zinc/10/79/30/855107930.db2.gz LMNGHGVUMJMPFF-KRWDZBQOSA-N -1 3 393.270 3.793 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc(Br)cn1 ZINC000589694025 855110816 /nfs/dbraw/zinc/11/08/16/855110816.db2.gz HOGLLRVWGMSBTK-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000482040766 862652807 /nfs/dbraw/zinc/65/28/07/862652807.db2.gz MFHZJVMKPMXVGD-KRWDZBQOSA-N -1 3 380.366 3.644 20 0 GHADHM CCCCc1nc(NC(=O)C(F)(F)c2ccccc2F)c(C(=O)OCC)[n-]1 ZINC001128073750 855229665 /nfs/dbraw/zinc/22/96/65/855229665.db2.gz LBPJZLGJIRLWAB-UHFFFAOYSA-N -1 3 383.370 3.799 20 0 GHADHM CCCCc1nc(C(=O)OCC)c(NC(=O)C(F)(F)c2ccccc2F)[n-]1 ZINC001128073750 855229668 /nfs/dbraw/zinc/22/96/68/855229668.db2.gz LBPJZLGJIRLWAB-UHFFFAOYSA-N -1 3 383.370 3.799 20 0 GHADHM COC(=O)c1coc(C(=O)[N-]c2c(F)cccc2C(=O)OCc2ccccc2)c1 ZINC001272829910 855478508 /nfs/dbraw/zinc/47/85/08/855478508.db2.gz QWIPNYZJBOXKLL-UHFFFAOYSA-N -1 3 397.358 3.815 20 0 GHADHM O=C(Nc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1)NC1CC1 ZINC000056511942 855561807 /nfs/dbraw/zinc/56/18/07/855561807.db2.gz XTDDIRBQLCABJS-UHFFFAOYSA-N -1 3 390.237 3.691 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H](n2ccnc2)C1 ZINC000590815832 855618827 /nfs/dbraw/zinc/61/88/27/855618827.db2.gz AYNQWMUBVKIONK-FQEVSTJZSA-N -1 3 375.472 3.851 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000057806901 855716143 /nfs/dbraw/zinc/71/61/43/855716143.db2.gz KBYHDUCTXQMODW-UHFFFAOYSA-N -1 3 387.505 3.682 20 0 GHADHM Cc1cnn(CCCCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000591038123 855732065 /nfs/dbraw/zinc/73/20/65/855732065.db2.gz QEBRHBMTNCPQBD-UHFFFAOYSA-N -1 3 394.504 3.989 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000605022190 862714281 /nfs/dbraw/zinc/71/42/81/862714281.db2.gz VSVUDTXQJHEWEB-INIZCTEOSA-N -1 3 384.867 3.990 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc3cccnc32)[nH][n-]1 ZINC000605022113 862714469 /nfs/dbraw/zinc/71/44/69/862714469.db2.gz QAOSSDJMPLTPDQ-UHFFFAOYSA-N -1 3 378.819 3.961 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C)s1 ZINC000733104322 862720101 /nfs/dbraw/zinc/72/01/01/862720101.db2.gz BWKUEANXLDOZBR-UHFFFAOYSA-N -1 3 382.488 3.737 20 0 GHADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000181035357 862726847 /nfs/dbraw/zinc/72/68/47/862726847.db2.gz PTYNWFDWUYLSDQ-PKOBYXMFSA-N -1 3 386.810 3.581 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000509220638 855991613 /nfs/dbraw/zinc/99/16/13/855991613.db2.gz YDMAPNWJCCEVLC-QWRGUYRKSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc2c(cc1Cl)OCCO2 ZINC000171179883 856013859 /nfs/dbraw/zinc/01/38/59/856013859.db2.gz ZSWBAZMTDIXUBA-UHFFFAOYSA-N -1 3 378.208 3.705 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1N1CCCC1 ZINC000171773119 862754322 /nfs/dbraw/zinc/75/43/22/862754322.db2.gz DTFOSNRSWRZILT-UHFFFAOYSA-N -1 3 399.516 3.671 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000674258999 856041065 /nfs/dbraw/zinc/04/10/65/856041065.db2.gz GMPAGXQCQNMTCR-UHFFFAOYSA-N -1 3 379.367 3.655 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OC ZINC000029388483 856043913 /nfs/dbraw/zinc/04/39/13/856043913.db2.gz NRPMCCXOGPRCSH-UHFFFAOYSA-N -1 3 378.738 3.527 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000029388483 856043928 /nfs/dbraw/zinc/04/39/28/856043928.db2.gz NRPMCCXOGPRCSH-UHFFFAOYSA-N -1 3 378.738 3.527 20 0 GHADHM Cc1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cnn1-c1ccccc1 ZINC000485107794 856119001 /nfs/dbraw/zinc/11/90/01/856119001.db2.gz SHLPVNLUHIBRBJ-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cc1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cnn1-c1ccccc1 ZINC000485107794 856119006 /nfs/dbraw/zinc/11/90/06/856119006.db2.gz SHLPVNLUHIBRBJ-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM O=C([O-])CCCCCNCc1cc(Cl)ccc1I ZINC000405290098 856231251 /nfs/dbraw/zinc/23/12/51/856231251.db2.gz GSXQMLCGDSTLBK-UHFFFAOYSA-N -1 3 381.641 3.679 20 0 GHADHM O=C(Nc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000436760282 856248122 /nfs/dbraw/zinc/24/81/22/856248122.db2.gz OQDBBVAIWFHWQG-UHFFFAOYSA-N -1 3 376.368 3.626 20 0 GHADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1c(F)cccc1OC(F)(F)F ZINC001212435050 856253528 /nfs/dbraw/zinc/25/35/28/856253528.db2.gz DICRMNARTYDRLS-UHFFFAOYSA-N -1 3 389.326 3.949 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436765126 856309148 /nfs/dbraw/zinc/30/91/48/856309148.db2.gz PECXUVDSAIPXEN-UHFFFAOYSA-N -1 3 393.443 3.510 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Cl ZINC000041800013 856326454 /nfs/dbraw/zinc/32/64/54/856326454.db2.gz NPHJRFVDDWRSRA-HXUWFJFHSA-N -1 3 397.906 3.994 20 0 GHADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc2c(cc1[O-])OCO2 ZINC000436812117 856459645 /nfs/dbraw/zinc/45/96/45/856459645.db2.gz DDORYPCQMBKZKZ-UHFFFAOYSA-N -1 3 375.340 3.576 20 0 GHADHM CCOC(=O)N1CCc2c(sc3[n-]c(-c4cc(CC)ccn4)nc(=O)c23)C1 ZINC000281008185 862800056 /nfs/dbraw/zinc/80/00/56/862800056.db2.gz OAUKQCNZNLISMP-UHFFFAOYSA-N -1 3 384.461 3.536 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F ZINC000046120975 856509101 /nfs/dbraw/zinc/50/91/01/856509101.db2.gz YZXBGUZIPADTAR-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)cc1)C(=O)[O-] ZINC000905774583 856584514 /nfs/dbraw/zinc/58/45/14/856584514.db2.gz JFDAZHKWVCYYNY-HXOBKFHXSA-N -1 3 379.456 3.979 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)cc1)C(=O)[O-] ZINC000905774584 856584676 /nfs/dbraw/zinc/58/46/76/856584676.db2.gz JFDAZHKWVCYYNY-SBUREZEXSA-N -1 3 379.456 3.979 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436844596 856597821 /nfs/dbraw/zinc/59/78/21/856597821.db2.gz GSPBQWRJUQIHAM-ZDUSSCGKSA-N -1 3 377.849 3.781 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(OC)c2o1 ZINC000129016594 856625244 /nfs/dbraw/zinc/62/52/44/856625244.db2.gz DAPKVLBMVIGDOY-CQSZACIVSA-N -1 3 378.384 3.801 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc4cc(F)ccc4o3)n[nH]2)cc1OC ZINC000605179890 862825851 /nfs/dbraw/zinc/82/58/51/862825851.db2.gz GCWWKNURXVWJRQ-UHFFFAOYSA-N -1 3 382.351 3.627 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)c(F)cc1F ZINC000674675968 856709222 /nfs/dbraw/zinc/70/92/22/856709222.db2.gz MRHVDGIUCZEULK-UHFFFAOYSA-N -1 3 390.411 3.939 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cn1 ZINC000509235601 856722827 /nfs/dbraw/zinc/72/28/27/856722827.db2.gz CIJWZLNDKSGSLK-ZDUSSCGKSA-N -1 3 382.766 3.764 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Br)c1 ZINC000007057139 856834664 /nfs/dbraw/zinc/83/46/64/856834664.db2.gz DGZHATAFAAYJCC-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000592470555 856886359 /nfs/dbraw/zinc/88/63/59/856886359.db2.gz PBWXKIXAGAUKJH-GOSISDBHSA-N -1 3 384.480 3.971 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c(C(=O)OCC)[n-]1 ZINC000485666594 856900560 /nfs/dbraw/zinc/90/05/60/856900560.db2.gz IPZKXFQDPHKAKD-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000508128702 856966066 /nfs/dbraw/zinc/96/60/66/856966066.db2.gz PVABLGPRNATUQI-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM CCCCc1nc(NC(=O)CCc2c[nH]c3ccccc23)c(C(=O)OCC)[n-]1 ZINC000485699417 856973740 /nfs/dbraw/zinc/97/37/40/856973740.db2.gz HTYUISCSUVEFEH-UHFFFAOYSA-N -1 3 382.464 3.982 20 0 GHADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056301264 857034676 /nfs/dbraw/zinc/03/46/76/857034676.db2.gz MPYRNAINLKOVDX-GFCCVEGCSA-N -1 3 390.361 3.744 20 0 GHADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000760997452 857060039 /nfs/dbraw/zinc/06/00/39/857060039.db2.gz KZRFNFWXZZXSMH-OAHLLOKOSA-N -1 3 392.411 3.638 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1cccc(Cl)c1F ZINC000592822845 857103942 /nfs/dbraw/zinc/10/39/42/857103942.db2.gz VHWYHGSUDRSTQT-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)cc1OC ZINC000508234950 857104864 /nfs/dbraw/zinc/10/48/64/857104864.db2.gz IXTGQUISAJFNPP-HUUCEWRRSA-N -1 3 397.541 3.793 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cnn[n-]1 ZINC000508288624 857133579 /nfs/dbraw/zinc/13/35/79/857133579.db2.gz NJHQIBHTCMKOOZ-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1c[n-]nn1 ZINC000508288624 857133582 /nfs/dbraw/zinc/13/35/82/857133582.db2.gz NJHQIBHTCMKOOZ-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cn[n-]n1 ZINC000508288624 857133584 /nfs/dbraw/zinc/13/35/84/857133584.db2.gz NJHQIBHTCMKOOZ-UHFFFAOYSA-N -1 3 377.173 3.751 20 0 GHADHM CCCCCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)C ZINC000057237331 857172500 /nfs/dbraw/zinc/17/25/00/857172500.db2.gz BWKMKSZCYYZJKE-UHFFFAOYSA-N -1 3 395.500 3.995 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(Oc3ccccc3)nn2)cc1[O-] ZINC000766111319 857188200 /nfs/dbraw/zinc/18/82/00/857188200.db2.gz CRMKTKVRCBDIKS-UHFFFAOYSA-N -1 3 395.371 3.510 20 0 GHADHM Cc1cccc(OCCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000057430679 857205279 /nfs/dbraw/zinc/20/52/79/857205279.db2.gz KYOFQRZOMNKHMC-UHFFFAOYSA-N -1 3 376.478 3.554 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000509244743 857261718 /nfs/dbraw/zinc/26/17/18/857261718.db2.gz BASUSWYFFMWHAU-QGZVFWFLSA-N -1 3 378.519 3.595 20 0 GHADHM Cc1cccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)c1F ZINC000485971362 857272322 /nfs/dbraw/zinc/27/23/22/857272322.db2.gz YUARVLGLFSLVJD-UHFFFAOYSA-N -1 3 391.406 3.835 20 0 GHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000919949316 881196596 /nfs/dbraw/zinc/19/65/96/881196596.db2.gz QWODDWIMEINOSG-IUCAKERBSA-N -1 3 384.723 3.824 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2cnccc21 ZINC000486006402 857341549 /nfs/dbraw/zinc/34/15/49/857341549.db2.gz RQNNFUZGJNIOGC-INIZCTEOSA-N -1 3 384.354 3.956 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)c3ccccc3OC)c2)n1 ZINC000058686655 857345429 /nfs/dbraw/zinc/34/54/29/857345429.db2.gz JRBBBJUVWVCJMT-UHFFFAOYSA-N -1 3 391.471 3.924 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1cccc(Br)c1 ZINC000465980865 857442680 /nfs/dbraw/zinc/44/26/80/857442680.db2.gz NSLIVABYBITEHJ-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Br ZINC000486130603 857445398 /nfs/dbraw/zinc/44/53/98/857445398.db2.gz RQILRFNVOJPICB-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OCC ZINC000061172655 857501522 /nfs/dbraw/zinc/50/15/22/857501522.db2.gz DXYVNPRDXYQPSF-CQSZACIVSA-N -1 3 380.444 3.817 20 0 GHADHM O=S(=O)([N-]c1cc(CCc2ccccc2)n[nH]1)c1cccc(Cl)c1F ZINC000675546115 857503696 /nfs/dbraw/zinc/50/36/96/857503696.db2.gz AARSHQCDVVWWIO-UHFFFAOYSA-N -1 3 379.844 3.788 20 0 GHADHM Cc1oc(-c2cccs2)nc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281241200 862919194 /nfs/dbraw/zinc/91/91/94/862919194.db2.gz GCIMPWATDAOKFW-UHFFFAOYSA-N -1 3 387.427 3.602 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCc3cccc(O)c32)s1 ZINC000907179285 857518442 /nfs/dbraw/zinc/51/84/42/857518442.db2.gz JQSOUQPDNVHKHN-UHFFFAOYSA-N -1 3 375.450 3.789 20 0 GHADHM Cc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c([O-])c1 ZINC000157334010 857530768 /nfs/dbraw/zinc/53/07/68/857530768.db2.gz LWLGBDPECUIZCA-HNNXBMFYSA-N -1 3 385.464 3.567 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(Cl)c(C)c3)c2)n1 ZINC000061968247 857554314 /nfs/dbraw/zinc/55/43/14/857554314.db2.gz CTVSZKPYMYSTNU-UHFFFAOYSA-N -1 3 397.862 3.979 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000593405623 857571848 /nfs/dbraw/zinc/57/18/48/857571848.db2.gz CRRAWRPUWYQGQY-HNNXBMFYSA-N -1 3 379.460 3.723 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000063442378 857618455 /nfs/dbraw/zinc/61/84/55/857618455.db2.gz FNSUPTIJWJCCCC-UHFFFAOYSA-N -1 3 387.404 3.504 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)OCCCO2 ZINC000675829308 857628490 /nfs/dbraw/zinc/62/84/90/857628490.db2.gz DNDNEMAMDDGDHD-UHFFFAOYSA-N -1 3 393.237 3.638 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001271256591 862946904 /nfs/dbraw/zinc/94/69/04/862946904.db2.gz CCZDZSHKJVSSIN-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486576698 857877725 /nfs/dbraw/zinc/87/77/25/857877725.db2.gz RBIZBAREFJZKEV-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Br)cc1[O-] ZINC000066041961 857898162 /nfs/dbraw/zinc/89/81/62/857898162.db2.gz YWSZEJZWNBPWGQ-HNNXBMFYSA-N -1 3 393.281 3.705 20 0 GHADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000486617882 857916801 /nfs/dbraw/zinc/91/68/01/857916801.db2.gz BAKDHVXNUKLVDU-YUMQZZPRSA-N -1 3 395.287 3.804 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n[nH]1 ZINC000486638627 857930157 /nfs/dbraw/zinc/93/01/57/857930157.db2.gz SDTPAJJHZVHQCZ-SCZZXKLOSA-N -1 3 391.324 3.973 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)cs1 ZINC000059009164 857958154 /nfs/dbraw/zinc/95/81/54/857958154.db2.gz XIASMJNUVMOTMH-UHFFFAOYSA-N -1 3 383.458 3.918 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC000031877622 857993336 /nfs/dbraw/zinc/99/33/36/857993336.db2.gz UPTXPCJXOVRNIB-UHFFFAOYSA-N -1 3 392.496 3.959 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000031885402 857993650 /nfs/dbraw/zinc/99/36/50/857993650.db2.gz QVAAIWLZNNJLFJ-UHFFFAOYSA-N -1 3 392.383 3.584 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000574545781 858054250 /nfs/dbraw/zinc/05/42/50/858054250.db2.gz SVONYKXIWWTMHW-HUUCEWRRSA-N -1 3 376.250 3.914 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001168403913 858100654 /nfs/dbraw/zinc/10/06/54/858100654.db2.gz JIPWIUBWBFOMEE-GFCCVEGCSA-N -1 3 389.814 3.513 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cnccc1C(F)(F)F ZINC000442749274 858109392 /nfs/dbraw/zinc/10/93/92/858109392.db2.gz MFQGHXPIXRAQEZ-UFBFGSQYSA-N -1 3 394.777 3.727 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2Br)c(C)s1 ZINC000046602448 858123943 /nfs/dbraw/zinc/12/39/43/858123943.db2.gz CIIYIUYVENDQCD-SNVBAGLBSA-N -1 3 396.310 3.833 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Cl)c1)c1cc(Cl)ccc1Br ZINC001212497637 858163401 /nfs/dbraw/zinc/16/34/01/858163401.db2.gz RJNQTOWXRPNGDX-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COc1cc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc(Cl)c1[O-] ZINC000442963816 858274022 /nfs/dbraw/zinc/27/40/22/858274022.db2.gz MWULEMSLPKEJLP-UHFFFAOYSA-N -1 3 388.895 3.791 20 0 GHADHM CSCc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000066778157 858294977 /nfs/dbraw/zinc/29/49/77/858294977.db2.gz URKMEIZIICANTE-UHFFFAOYSA-N -1 3 394.500 3.575 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(C)C)c1cccs1 ZINC000443023528 858301987 /nfs/dbraw/zinc/30/19/87/858301987.db2.gz HBQJUKREIPIPOL-CYBMUJFWSA-N -1 3 385.482 3.740 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000158109855 858313165 /nfs/dbraw/zinc/31/31/65/858313165.db2.gz JFSDDUWJWXQIJV-GXSJLCMTSA-N -1 3 380.318 3.845 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000665302823 858322448 /nfs/dbraw/zinc/32/24/48/858322448.db2.gz CSWFIFHXDLQCGH-HNNXBMFYSA-N -1 3 392.377 3.622 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCN1Cc1ccccc1 ZINC000443133707 858408442 /nfs/dbraw/zinc/40/84/42/858408442.db2.gz NGXMKQLXNJUFSH-KRWDZBQOSA-N -1 3 388.895 3.791 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000115313002 858488438 /nfs/dbraw/zinc/48/84/38/858488438.db2.gz YXXJXYPDEYAQJY-RUZDIDTESA-N -1 3 395.546 3.935 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000443269683 858516713 /nfs/dbraw/zinc/51/67/13/858516713.db2.gz WPABAQHAORPGEP-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000443331405 858560178 /nfs/dbraw/zinc/56/01/78/858560178.db2.gz DWEHQVHJPJINGF-UHFFFAOYSA-N -1 3 387.851 3.826 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000443375110 858615766 /nfs/dbraw/zinc/61/57/66/858615766.db2.gz NGXPRZKTQKSXLK-UONOGXRCSA-N -1 3 385.835 3.578 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)s1 ZINC000443401382 858641756 /nfs/dbraw/zinc/64/17/56/858641756.db2.gz UCMXPIQQLIKAMB-SECBINFHSA-N -1 3 377.263 3.843 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1C ZINC000443416902 858653892 /nfs/dbraw/zinc/65/38/92/858653892.db2.gz LEQJKEBCKBCQJO-UHFFFAOYSA-N -1 3 393.358 3.885 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Oc3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000466198872 858672813 /nfs/dbraw/zinc/67/28/13/858672813.db2.gz USJYNJUAIAHAAV-CYBMUJFWSA-N -1 3 396.422 3.886 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(OCC(F)F)cc1 ZINC000543162545 858691852 /nfs/dbraw/zinc/69/18/52/858691852.db2.gz GHPOHAHVCJMDMF-UHFFFAOYSA-N -1 3 392.221 3.894 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@H]3CC3CCC3)nc(=O)c2c1C ZINC000595869867 858720541 /nfs/dbraw/zinc/72/05/41/858720541.db2.gz CUWSDYSECQVHMX-AWEZNQCLSA-N -1 3 389.521 3.624 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000183374666 858730847 /nfs/dbraw/zinc/73/08/47/858730847.db2.gz USZYVBWZBUZLQJ-UHFFFAOYSA-N -1 3 380.379 3.571 20 0 GHADHM O=c1cc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c2ccccc2[nH]1 ZINC000443473863 858799690 /nfs/dbraw/zinc/79/96/90/858799690.db2.gz MFRYTUYWWKOIAX-UHFFFAOYSA-N -1 3 397.481 3.542 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000443484694 858801578 /nfs/dbraw/zinc/80/15/78/858801578.db2.gz FERJBHPUTSIPSM-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)c(OCc2cccnc2)c1 ZINC000665343367 858846366 /nfs/dbraw/zinc/84/63/66/858846366.db2.gz GGQYHHSWDYXUNT-UHFFFAOYSA-N -1 3 384.476 3.746 20 0 GHADHM CO[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCOC1 ZINC000596325875 858859086 /nfs/dbraw/zinc/85/90/86/858859086.db2.gz OSTFHJMBXJQOIX-SMDDNHRTSA-N -1 3 392.502 3.942 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1nc(C)cs1 ZINC000543246894 859019838 /nfs/dbraw/zinc/01/98/38/859019838.db2.gz YWEVHECTSLCODT-JTQLQIEISA-N -1 3 393.303 3.783 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482980837 859030945 /nfs/dbraw/zinc/03/09/45/859030945.db2.gz KQINXFJJFWQISM-SNVBAGLBSA-N -1 3 387.431 3.884 20 0 GHADHM O=C(c1cc(Cl)ccc1SC1CCCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC000185126168 859046725 /nfs/dbraw/zinc/04/67/25/859046725.db2.gz DFCBUDMGHGWVMA-UHFFFAOYSA-N -1 3 389.908 3.657 20 0 GHADHM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094161802 859051283 /nfs/dbraw/zinc/05/12/83/859051283.db2.gz QQROMCCRPVXWOR-UHFFFAOYSA-N -1 3 397.862 3.612 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(SC)c2)cc1OC ZINC000068578274 859102060 /nfs/dbraw/zinc/10/20/60/859102060.db2.gz LNGXFFLSEGKKHG-UHFFFAOYSA-N -1 3 395.506 3.823 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2Cl)c1 ZINC000193463375 859164347 /nfs/dbraw/zinc/16/43/47/859164347.db2.gz HCWGNWQJBCMQKL-UHFFFAOYSA-N -1 3 385.807 3.524 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Br)cc(OC(C)C)c2)c(=O)[n-]1 ZINC000487435931 859181737 /nfs/dbraw/zinc/18/17/37/859181737.db2.gz VKXPSMNADUYSJE-UHFFFAOYSA-N -1 3 394.269 3.530 20 0 GHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000194598664 859189047 /nfs/dbraw/zinc/18/90/47/859189047.db2.gz JYRDOHUILYEOPX-UHFFFAOYSA-N -1 3 398.278 3.735 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(c2cccs2)CC1 ZINC000760595095 859225896 /nfs/dbraw/zinc/22/58/96/859225896.db2.gz UQFVAZREEDRIGH-UHFFFAOYSA-N -1 3 394.493 3.889 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000068929941 859259890 /nfs/dbraw/zinc/25/98/90/859259890.db2.gz NXLBALIFTJWGPB-HNNXBMFYSA-N -1 3 388.464 3.713 20 0 GHADHM CCCN(CCC)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000060438130 859275805 /nfs/dbraw/zinc/27/58/05/859275805.db2.gz RSGFVWJWDKZYOL-UHFFFAOYSA-N -1 3 393.336 3.696 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(Cl)cc1F ZINC000069081692 859333860 /nfs/dbraw/zinc/33/38/60/859333860.db2.gz VICSVBKXMQPHEF-HNNXBMFYSA-N -1 3 386.876 3.578 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3CC)c2)cc1 ZINC000029048453 859335359 /nfs/dbraw/zinc/33/53/59/859335359.db2.gz RCLZOEBFDWLTNK-UHFFFAOYSA-N -1 3 386.477 3.555 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000543671599 859338337 /nfs/dbraw/zinc/33/83/37/859338337.db2.gz QMWXKDNFUAHDOI-LLVKDONJSA-N -1 3 379.532 3.657 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000923468376 859345359 /nfs/dbraw/zinc/34/53/59/859345359.db2.gz UIGWCLUESMVGIG-VGOFRKELSA-N -1 3 387.524 3.581 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000923468374 859345483 /nfs/dbraw/zinc/34/54/83/859345483.db2.gz UIGWCLUESMVGIG-JTSKRJEESA-N -1 3 387.524 3.581 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)c1C ZINC000117228008 859355135 /nfs/dbraw/zinc/35/51/35/859355135.db2.gz CKNUXMUAMOTBEO-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CC4CCC3CC4)cs2)c1 ZINC000483441706 859377244 /nfs/dbraw/zinc/37/72/44/859377244.db2.gz GRGCCWQLWTVBEK-KVULBXGLSA-N -1 3 399.516 3.647 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c1Cl ZINC000543676424 859379161 /nfs/dbraw/zinc/37/91/61/859379161.db2.gz VANXBWYZNOZECM-UHFFFAOYSA-N -1 3 380.337 3.913 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923528593 859396231 /nfs/dbraw/zinc/39/62/31/859396231.db2.gz GDOGWCMYAYOJDG-ONGXBYRLSA-N -1 3 394.471 3.849 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000483540969 859437100 /nfs/dbraw/zinc/43/71/00/859437100.db2.gz ITQLJDLJSNDTLX-AUECHBEKSA-N -1 3 393.413 3.991 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c([O-])c1C ZINC000113988942 859437347 /nfs/dbraw/zinc/43/73/47/859437347.db2.gz DEAIMCONUOITFN-UHFFFAOYSA-N -1 3 387.439 3.859 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483567358 859455019 /nfs/dbraw/zinc/45/50/19/859455019.db2.gz MYVAUWFPCXQRDM-UHFFFAOYSA-N -1 3 389.381 3.832 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1F ZINC000543690039 859462090 /nfs/dbraw/zinc/46/20/90/859462090.db2.gz UPAWNRHITXJQOH-DZGCQCFKSA-N -1 3 387.835 3.817 20 0 GHADHM CC(C)c1ccc(CCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673509171 859631813 /nfs/dbraw/zinc/63/18/13/859631813.db2.gz PGMMVIRHZPHIRV-CVEARBPZSA-N -1 3 383.492 3.623 20 0 GHADHM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000466473049 859652610 /nfs/dbraw/zinc/65/26/10/859652610.db2.gz JGIOUCSBGHASPI-UHFFFAOYSA-N -1 3 377.462 3.714 20 0 GHADHM C[C@@H](CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000765007805 859733939 /nfs/dbraw/zinc/73/39/39/859733939.db2.gz WFTMBESYPNQQHG-LBPRGKRZSA-N -1 3 390.402 3.947 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(Cl)c1 ZINC000474314364 859840470 /nfs/dbraw/zinc/84/04/70/859840470.db2.gz SKVLBMUXISSYAL-UHFFFAOYSA-N -1 3 376.844 3.652 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)no1 ZINC000053246868 859950164 /nfs/dbraw/zinc/95/01/64/859950164.db2.gz AHDXXQPGIXWREX-UHFFFAOYSA-N -1 3 386.433 3.736 20 0 GHADHM Cc1ccc(-c2ccccc2CNCc2nc3c(c(=O)[n-]2)COCC3)c(C)c1 ZINC000895873250 860016334 /nfs/dbraw/zinc/01/63/34/860016334.db2.gz QYBYQUTWWLOYPG-UHFFFAOYSA-N -1 3 375.472 3.829 20 0 GHADHM Cc1nn(C)c(CN[C@@H](CCc2ccc(C(F)(F)F)cc2)C(=O)[O-])c1Cl ZINC000904024547 860033141 /nfs/dbraw/zinc/03/31/41/860033141.db2.gz SUXVKFGUSGHISQ-ZDUSSCGKSA-N -1 3 389.805 3.576 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)c(F)c1F ZINC000624899140 860033916 /nfs/dbraw/zinc/03/39/16/860033916.db2.gz NUSMNTMXPKSKQM-KXBFYZLASA-N -1 3 381.444 3.719 20 0 GHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000154286821 860050787 /nfs/dbraw/zinc/05/07/87/860050787.db2.gz AMWPWZJBYCVGST-UHFFFAOYSA-N -1 3 396.534 3.646 20 0 GHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 ZINC000154286821 860050794 /nfs/dbraw/zinc/05/07/94/860050794.db2.gz AMWPWZJBYCVGST-UHFFFAOYSA-N -1 3 396.534 3.646 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)OC)c2)cc1 ZINC000727360473 860053716 /nfs/dbraw/zinc/05/37/16/860053716.db2.gz DFHSHLUEDWCKPO-UHFFFAOYSA-N -1 3 382.413 3.594 20 0 GHADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@@H]1CCO[C@](C)(C(=O)[O-])C1 ZINC000904070764 860095125 /nfs/dbraw/zinc/09/51/25/860095125.db2.gz ZNXAPECFPUPOCN-ACJLOTCBSA-N -1 3 398.290 3.599 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2ccc(OCc3ccccc3)cc2)c(=O)[n-]1 ZINC000727512778 860125728 /nfs/dbraw/zinc/12/57/28/860125728.db2.gz XOMBLYZLNHPMPI-UHFFFAOYSA-N -1 3 378.428 3.664 20 0 GHADHM CCO[C@@H](c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)C1CCCC1 ZINC000904144896 860175771 /nfs/dbraw/zinc/17/57/71/860175771.db2.gz DEYRHTKFZIEVHX-RHSMWYFYSA-N -1 3 393.509 3.685 20 0 GHADHM COc1cccc(N2CC[C@H](CNC(=O)c3cc([O-])c4ccccc4c3)C2)c1 ZINC000527449347 860179249 /nfs/dbraw/zinc/17/92/49/860179249.db2.gz GCSWFVXEMITOCL-MRXNPFEDSA-N -1 3 376.456 3.810 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1OC1CCOCC1 ZINC000154563075 860182529 /nfs/dbraw/zinc/18/25/29/860182529.db2.gz OJMHBZCIJINKIZ-UHFFFAOYSA-N -1 3 387.501 3.842 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nc(-c2ccncc2)no1 ZINC000727712736 860188832 /nfs/dbraw/zinc/18/88/32/860188832.db2.gz LDJZXOYOQKLCTB-HNNXBMFYSA-N -1 3 390.365 3.876 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1C ZINC000484637744 860189543 /nfs/dbraw/zinc/18/95/43/860189543.db2.gz HNRMTNCZPNIFQF-UHFFFAOYSA-N -1 3 386.477 3.515 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)cc1 ZINC000484630891 860205055 /nfs/dbraw/zinc/20/50/55/860205055.db2.gz HAEWMUBCUYMHNY-UHFFFAOYSA-N -1 3 386.477 3.678 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CN(C)Cc3ccccc32)c1Cl ZINC000533820527 860238042 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3.852 20 0 GHADHM Cc1cc(C)n(Cc2cccc(-c3noc(-c4cc(=O)[n-]c(C5CC5)n4)n3)c2)n1 ZINC000904525447 860494994 /nfs/dbraw/zinc/49/49/94/860494994.db2.gz RVIINZQGRKPMEN-UHFFFAOYSA-N -1 3 388.431 3.638 20 0 GHADHM CCCCc1nc(NC(=O)CCc2cc(F)ccc2F)c(C(=O)OCC)[n-]1 ZINC001127965144 860534397 /nfs/dbraw/zinc/53/43/97/860534397.db2.gz OCOCILJBNSXVMW-UHFFFAOYSA-N -1 3 379.407 3.779 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436661551 860544594 /nfs/dbraw/zinc/54/45/94/860544594.db2.gz DBEAAURLIYIKHA-GOSISDBHSA-N -1 3 397.324 3.851 20 0 GHADHM O=c1nc(CSc2nnc3ccccn32)[n-]c2scc(-c3ccco3)c21 ZINC000026041192 860595288 /nfs/dbraw/zinc/59/52/88/860595288.db2.gz ZLOMACNKMFVHET-UHFFFAOYSA-N -1 3 381.442 3.580 20 0 GHADHM [O-]c1c(Br)cccc1CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186586288 860654923 /nfs/dbraw/zinc/65/49/23/860654923.db2.gz ZPILHPVTKSPFOT-UHFFFAOYSA-N -1 3 394.284 3.863 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)on1 ZINC000625018299 860728931 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863336331 /nfs/dbraw/zinc/33/63/31/863336331.db2.gz WUHBVAVUKQMPFQ-AWEZNQCLSA-N -1 3 399.921 3.645 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 ZINC000522815272 863439464 /nfs/dbraw/zinc/43/94/64/863439464.db2.gz FLCLYTXCRGQFRR-UHFFFAOYSA-N -1 3 385.445 3.560 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc1C ZINC000444200069 863658252 /nfs/dbraw/zinc/65/82/52/863658252.db2.gz WXEPTXLPNGKEOX-QZTJIDSGSA-N -1 3 388.533 3.713 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000444233057 863715320 /nfs/dbraw/zinc/71/53/20/863715320.db2.gz CYWHGSMMBGSTMR-MJGOQNOKSA-N -1 3 383.517 3.585 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nc2ccccc2n1C(F)F ZINC000606631835 863724864 /nfs/dbraw/zinc/72/48/64/863724864.db2.gz PMLXIANOLKLSCY-JTQLQIEISA-N -1 3 378.354 3.837 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cnc(Cl)c(Cl)c1 ZINC000172600788 863773641 /nfs/dbraw/zinc/77/36/41/863773641.db2.gz OTCURPRBEOPOKO-INIZCTEOSA-N -1 3 394.283 3.851 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3ccc(C)cc3)nc(=O)c2c1C ZINC000030003362 863814613 /nfs/dbraw/zinc/81/46/13/863814613.db2.gz PDTFFTBWPJXDLF-HNNXBMFYSA-N -1 3 397.500 3.725 20 0 GHADHM O=S(=O)([N-]CCCN1CCc2ccccc21)c1c(Cl)cccc1Cl ZINC000030009317 863843417 /nfs/dbraw/zinc/84/34/17/863843417.db2.gz UIRKHZVLHDLHRC-UHFFFAOYSA-N -1 3 385.316 3.725 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)cc1 ZINC000480051374 863888123 /nfs/dbraw/zinc/88/81/23/863888123.db2.gz ORUHLNLWIDWFMN-KRWDZBQOSA-N -1 3 385.407 3.731 20 0 GHADHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)sc1C ZINC000103159565 863896839 /nfs/dbraw/zinc/89/68/39/863896839.db2.gz YUGSKVKCUIBIOO-UHFFFAOYSA-N -1 3 396.431 3.693 20 0 GHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000103160197 863896977 /nfs/dbraw/zinc/89/69/77/863896977.db2.gz FWAALRXCYYVDNZ-UHFFFAOYSA-N -1 3 396.431 3.911 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC(C2CCCC2)CC1 ZINC000640294723 881709492 /nfs/dbraw/zinc/70/94/92/881709492.db2.gz IARZXRLDZKCFIY-UHFFFAOYSA-N -1 3 378.826 3.955 20 0 GHADHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606902742 863926483 /nfs/dbraw/zinc/92/64/83/863926483.db2.gz BTSMGIDFRDJRMY-LLVKDONJSA-N -1 3 384.851 3.512 20 0 GHADHM Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000607055551 864016790 /nfs/dbraw/zinc/01/67/90/864016790.db2.gz LPLIFFNCYPATND-UHFFFAOYSA-N -1 3 391.427 3.599 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000607169710 864130620 /nfs/dbraw/zinc/13/06/20/864130620.db2.gz LXUZPJCHNBZDPS-KBPBESRZSA-N -1 3 383.514 3.547 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1C ZINC000734409879 864223266 /nfs/dbraw/zinc/22/32/66/864223266.db2.gz BYOJJNZQHZYMKP-HNNXBMFYSA-N -1 3 392.496 3.620 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480197176 864224621 /nfs/dbraw/zinc/22/46/21/864224621.db2.gz GMLPRMMAQYXZNG-LBPRGKRZSA-N -1 3 395.352 3.556 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1Cl)C(C)C ZINC000734498533 864254541 /nfs/dbraw/zinc/25/45/41/864254541.db2.gz NWPXRLYLDRUSSF-CYBMUJFWSA-N -1 3 376.309 3.711 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2ccc(Cl)c(Cl)c2)[nH][n-]1 ZINC000621654715 864350697 /nfs/dbraw/zinc/35/06/97/864350697.db2.gz VOVDLDFGYIUCOS-UHFFFAOYSA-N -1 3 376.243 3.995 20 0 GHADHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621721029 864381516 /nfs/dbraw/zinc/38/15/16/864381516.db2.gz ZZGPMPGSDCIZHW-OLZOCXBDSA-N -1 3 386.414 3.568 20 0 GHADHM O=C(N[C@@H]1CCCc2occc21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000554489866 864430378 /nfs/dbraw/zinc/43/03/78/864430378.db2.gz UQVWCNKEPZVATO-CYBMUJFWSA-N -1 3 387.233 3.691 20 0 GHADHM C[C@H](c1ccco1)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000621798080 864442476 /nfs/dbraw/zinc/44/24/76/864442476.db2.gz IIRBRDMEVYGNFT-LLVKDONJSA-N -1 3 393.440 3.697 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Cl)nc1Cl ZINC000734847479 864474031 /nfs/dbraw/zinc/47/40/31/864474031.db2.gz KOISYMNHFJEJOZ-XVKPBYJWSA-N -1 3 379.215 3.501 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nc(C)cs1 ZINC000155976856 864478192 /nfs/dbraw/zinc/47/81/92/864478192.db2.gz CLFLZVCCMZWLFT-LLVKDONJSA-N -1 3 393.303 3.783 20 0 GHADHM COc1cc(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc(OC)c1[O-] ZINC000163408869 864510105 /nfs/dbraw/zinc/51/01/05/864510105.db2.gz BBXRARLQQKTOKK-IBGZPJMESA-N -1 3 392.455 3.827 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCCNC(=O)c3cc4c(s3)CCCC4)n[n-]2)o1 ZINC000920149507 881784468 /nfs/dbraw/zinc/78/44/68/881784468.db2.gz MLAVHKHWCHOIPH-UHFFFAOYSA-N -1 3 399.472 3.505 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCCNC(=O)c3cc4c(s3)CCCC4)[n-]n2)o1 ZINC000920149507 881784485 /nfs/dbraw/zinc/78/44/85/881784485.db2.gz MLAVHKHWCHOIPH-UHFFFAOYSA-N -1 3 399.472 3.505 20 0 GHADHM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000735268694 864692884 /nfs/dbraw/zinc/69/28/84/864692884.db2.gz HDBXDGUYNXHFKT-UHFFFAOYSA-N -1 3 390.505 3.884 20 0 GHADHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000735267307 864709215 /nfs/dbraw/zinc/70/92/15/864709215.db2.gz OEESVFSZTCFUQH-JYRVWZFOSA-N -1 3 389.473 3.689 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000554698158 864737729 /nfs/dbraw/zinc/73/77/29/864737729.db2.gz KQDPUKHXYIZBGC-NRFANRHFSA-N -1 3 394.496 3.794 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444338815 864841878 /nfs/dbraw/zinc/84/18/78/864841878.db2.gz GENNVCQDPCDULD-LLVKDONJSA-N -1 3 383.311 3.504 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000735651452 864903244 /nfs/dbraw/zinc/90/32/44/864903244.db2.gz ZHJORRGFFLZQTB-UHFFFAOYSA-N -1 3 391.427 3.649 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCCc2cccc(O)c21 ZINC000444347250 865004101 /nfs/dbraw/zinc/00/41/01/865004101.db2.gz XGDLPNGWOVPLGS-UHFFFAOYSA-N -1 3 399.244 3.589 20 0 GHADHM CC[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)N1CCc2ccccc2C1 ZINC000735880004 865015330 /nfs/dbraw/zinc/01/53/30/865015330.db2.gz KTKISUOOPBHQGB-KRWDZBQOSA-N -1 3 381.501 3.683 20 0 GHADHM Cc1ccccc1[C@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000920162754 881830149 /nfs/dbraw/zinc/83/01/49/881830149.db2.gz GFGFNKZALSWWSV-INIZCTEOSA-N -1 3 391.489 3.828 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736271907 865169106 /nfs/dbraw/zinc/16/91/06/865169106.db2.gz OYUUGAJWGGWZDV-OCCSQVGLSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736271907 865169111 /nfs/dbraw/zinc/16/91/11/865169111.db2.gz OYUUGAJWGGWZDV-OCCSQVGLSA-N -1 3 389.525 3.731 20 0 GHADHM CCN(C(=O)c1ccc(OC)cc1Cl)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509641 865226718 /nfs/dbraw/zinc/22/67/18/865226718.db2.gz YPSMAQDOHHGVFB-LBPRGKRZSA-N -1 3 385.855 3.752 20 0 GHADHM CCN(C(=O)c1ccc(OC)cc1Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509641 865226735 /nfs/dbraw/zinc/22/67/35/865226735.db2.gz YPSMAQDOHHGVFB-LBPRGKRZSA-N -1 3 385.855 3.752 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000301248007 865245040 /nfs/dbraw/zinc/24/50/40/865245040.db2.gz BGQDJVNCZYTBCK-INIZCTEOSA-N -1 3 399.495 3.618 20 0 GHADHM Cc1ncc(Cl)c(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)n1 ZINC000608359933 865257401 /nfs/dbraw/zinc/25/74/01/865257401.db2.gz QGDATQKVZKTDSO-UHFFFAOYSA-N -1 3 382.638 3.810 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(Cl)c1 ZINC000737072640 865363126 /nfs/dbraw/zinc/36/31/26/865363126.db2.gz UJRUZYUMGZBWLQ-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(Cl)c1 ZINC000737072640 865363140 /nfs/dbraw/zinc/36/31/40/865363140.db2.gz UJRUZYUMGZBWLQ-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1Cl ZINC000171768713 865363540 /nfs/dbraw/zinc/36/35/40/865363540.db2.gz CRTXEHWKEZUFON-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 ZINC000480855363 865402273 /nfs/dbraw/zinc/40/22/73/865402273.db2.gz VWSKVVFSGGYSOF-UHFFFAOYSA-N -1 3 396.372 3.694 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1ccc(F)cc1C(F)(F)F ZINC000480865244 865409538 /nfs/dbraw/zinc/40/95/38/865409538.db2.gz JOMYLIGSKOVUNW-CQSZACIVSA-N -1 3 389.370 3.906 20 0 GHADHM COc1ccc(CSc2nc3n[nH]cc3c(=O)[n-]2)cc1SC(F)(F)F ZINC000174107042 865444979 /nfs/dbraw/zinc/44/49/79/865444979.db2.gz GNEWMSZXXCYTQP-UHFFFAOYSA-N -1 3 388.396 3.559 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738143455 865492007 /nfs/dbraw/zinc/49/20/07/865492007.db2.gz CUZDMKQQJKVGIX-YPMHNXCESA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738143455 865492011 /nfs/dbraw/zinc/49/20/11/865492011.db2.gz CUZDMKQQJKVGIX-YPMHNXCESA-N -1 3 375.766 3.541 20 0 GHADHM COC(=O)c1sc(NCc2ccc([O-])c(Br)c2)nc1Cl ZINC000301714550 865506569 /nfs/dbraw/zinc/50/65/69/865506569.db2.gz WPTKXEDBSAPORU-UHFFFAOYSA-N -1 3 377.647 3.663 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000899215303 865535810 /nfs/dbraw/zinc/53/58/10/865535810.db2.gz FNQDRWZCQUXAKP-IBGZPJMESA-N -1 3 381.382 3.569 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1F ZINC000172332994 865554969 /nfs/dbraw/zinc/55/49/69/865554969.db2.gz REIDMQLBAJUWGT-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM CCN(CC)C(=O)c1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC000555134824 865556090 /nfs/dbraw/zinc/55/60/90/865556090.db2.gz XHJXRRGRTYPPQN-UHFFFAOYSA-N -1 3 377.444 3.571 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000172582424 865631734 /nfs/dbraw/zinc/63/17/34/865631734.db2.gz KEFVMTOYIUVTCW-UHFFFAOYSA-N -1 3 386.423 3.571 20 0 GHADHM COc1ccc(C(C)=O)cc1CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622893563 865708630 /nfs/dbraw/zinc/70/86/30/865708630.db2.gz SNSGOPJGYVSJJR-UHFFFAOYSA-N -1 3 383.835 3.544 20 0 GHADHM Cc1ccsc1-c1nc(=NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)s[n-]1 ZINC000555333152 865910820 /nfs/dbraw/zinc/91/08/20/865910820.db2.gz HODUSPLIUDATHE-LSDHHAIUSA-N -1 3 399.545 3.564 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000185346535 866004666 /nfs/dbraw/zinc/00/46/66/866004666.db2.gz YWOYAKZPNGUYGA-UHFFFAOYSA-N -1 3 394.211 3.655 20 0 GHADHM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000029047215 866118890 /nfs/dbraw/zinc/11/88/90/866118890.db2.gz DQTOUFJMLRZCLK-UHFFFAOYSA-N -1 3 390.505 3.595 20 0 GHADHM Cc1nn(-c2ccccc2)c2nc(C(=O)[N-]c3nnc(C(F)F)s3)ccc12 ZINC000193929980 881950688 /nfs/dbraw/zinc/95/06/88/881950688.db2.gz KXDLMJSHKKCUCH-UHFFFAOYSA-N -1 3 386.387 3.770 20 0 GHADHM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000552781391 866254118 /nfs/dbraw/zinc/25/41/18/866254118.db2.gz BKQASRACYQALIB-UHFFFAOYSA-N -1 3 391.836 3.837 20 0 GHADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000534208203 866275620 /nfs/dbraw/zinc/27/56/20/866275620.db2.gz KTWSXIUTSHTUEK-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000153312171 866348821 /nfs/dbraw/zinc/34/88/21/866348821.db2.gz NASCCDYHBVMLRM-CQSZACIVSA-N -1 3 396.516 3.581 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)cc1C ZINC000614793065 866409567 /nfs/dbraw/zinc/40/95/67/866409567.db2.gz BUGWYFQEIFPXRV-UHFFFAOYSA-N -1 3 385.489 3.915 20 0 GHADHM CCC[C@]1(COC)CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000194100453 881983339 /nfs/dbraw/zinc/98/33/39/881983339.db2.gz ZKZPRDYVYVHPGR-QGZVFWFLSA-N -1 3 385.302 3.645 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F ZINC000478705477 866509998 /nfs/dbraw/zinc/50/99/98/866509998.db2.gz RSGIXDXCMZCIKZ-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1F ZINC000478697142 866529984 /nfs/dbraw/zinc/52/99/84/866529984.db2.gz GVILTXHGDMJKML-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H]2CCCO[C@H]21 ZINC000509451520 866759464 /nfs/dbraw/zinc/75/94/64/866759464.db2.gz KXIBRMHFKUEDSF-LERXQTSPSA-N -1 3 397.846 3.841 20 0 GHADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000553206643 866994276 /nfs/dbraw/zinc/99/42/76/866994276.db2.gz ULJMSLVECBPQRB-UHFFFAOYSA-N -1 3 396.422 3.678 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1 ZINC000742030210 867018789 /nfs/dbraw/zinc/01/87/89/867018789.db2.gz STNZBIHWLHLOOL-UHFFFAOYSA-N -1 3 389.445 3.831 20 0 GHADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000534570104 867066582 /nfs/dbraw/zinc/06/65/82/867066582.db2.gz AQZAUORMUSOYBM-UHFFFAOYSA-N -1 3 397.482 3.535 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(Cl)c1)c1ccc2ncsc2c1 ZINC000479083043 867106071 /nfs/dbraw/zinc/10/60/71/867106071.db2.gz UKAJFMNJKJJTIE-UHFFFAOYSA-N -1 3 390.877 3.936 20 0 GHADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCC(=O)Nc1ccccc1 ZINC000742219880 867142623 /nfs/dbraw/zinc/14/26/23/867142623.db2.gz HWQZXYJJGKGCJM-LUAWRHEFSA-N -1 3 391.427 3.769 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000153933507 867160954 /nfs/dbraw/zinc/16/09/54/867160954.db2.gz BJBVDCYXSZJERA-UHFFFAOYSA-N -1 3 382.247 3.559 20 0 GHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@H]1c1ccccc1 ZINC000534638075 867165212 /nfs/dbraw/zinc/16/52/12/867165212.db2.gz JEVTYSAMUQQOGH-BXUZGUMPSA-N -1 3 391.345 3.779 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c(C)s1 ZINC000153962904 867178034 /nfs/dbraw/zinc/17/80/34/867178034.db2.gz BIJAZMPIYCEKSR-UHFFFAOYSA-N -1 3 382.576 3.715 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000523393352 867184205 /nfs/dbraw/zinc/18/42/05/867184205.db2.gz KXHWYKNAMGVIPR-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000523393352 867184214 /nfs/dbraw/zinc/18/42/14/867184214.db2.gz KXHWYKNAMGVIPR-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Sc1ccccc1 ZINC000742332024 867211838 /nfs/dbraw/zinc/21/18/38/867211838.db2.gz BTUUEOXTYVVSPR-SNVBAGLBSA-N -1 3 377.318 3.848 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 ZINC000742344949 867242544 /nfs/dbraw/zinc/24/25/44/867242544.db2.gz DKMSSFKMCFECTB-LLVKDONJSA-N -1 3 395.695 3.708 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000742345342 867242985 /nfs/dbraw/zinc/24/29/85/867242985.db2.gz QBYLZXDDAXSTJB-ZDUSSCGKSA-N -1 3 395.695 3.708 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 ZINC000154117222 867256237 /nfs/dbraw/zinc/25/62/37/867256237.db2.gz MSWYGVAZDZSPPJ-UHFFFAOYSA-N -1 3 396.447 3.939 20 0 GHADHM COC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000154167819 867279595 /nfs/dbraw/zinc/27/95/95/867279595.db2.gz VMUKOXUPNDRKRY-UHFFFAOYSA-N -1 3 391.424 3.558 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1)O[C@@H](C)C2 ZINC000523424266 867295564 /nfs/dbraw/zinc/29/55/64/867295564.db2.gz KKUJQTDWKWHVEH-NUTKFTJISA-N -1 3 385.435 3.673 20 0 GHADHM Cc1cscc1NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000154225866 867310218 /nfs/dbraw/zinc/31/02/18/867310218.db2.gz URDSMJLVTRDGIL-UHFFFAOYSA-N -1 3 393.317 3.670 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)c1 ZINC000546558975 867336772 /nfs/dbraw/zinc/33/67/72/867336772.db2.gz CWQTVJQNMQHHRG-CYBMUJFWSA-N -1 3 388.807 3.939 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H](O)c1c(F)cccc1F ZINC000857170324 882076896 /nfs/dbraw/zinc/07/68/96/882076896.db2.gz NUMWILKZHPADHC-GDBMZVCRSA-N -1 3 389.320 3.931 20 0 GHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1NC(=O)OC(C)(C)C ZINC000742628678 867442278 /nfs/dbraw/zinc/44/22/78/867442278.db2.gz UBMSLRWLOZTEKG-UHFFFAOYSA-N -1 3 383.408 3.972 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC000620775015 867467578 /nfs/dbraw/zinc/46/75/78/867467578.db2.gz BFUFHCXKSNLUQN-MRXNPFEDSA-N -1 3 379.378 3.776 20 0 GHADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3c[nH]c4ncccc34)cc2s1 ZINC000479294704 867528651 /nfs/dbraw/zinc/52/86/51/867528651.db2.gz JFLBJTLGGTYKCD-UHFFFAOYSA-N -1 3 378.866 3.935 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1C(C)C ZINC000523575018 867553086 /nfs/dbraw/zinc/55/30/86/867553086.db2.gz KOJWMEVJHZRXEA-UHFFFAOYSA-N -1 3 388.489 3.665 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1c(Cl)cccc1Cl ZINC000523736839 867875537 /nfs/dbraw/zinc/87/55/37/867875537.db2.gz ZVEPXUPWWBSZOX-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000479524065 867920138 /nfs/dbraw/zinc/92/01/38/867920138.db2.gz GQCGBNSTHXDHOJ-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)s1 ZINC000155644707 868001127 /nfs/dbraw/zinc/00/11/27/868001127.db2.gz DEJYXJCNRQWANB-UHFFFAOYSA-N -1 3 392.531 3.994 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC3=N[C@@H](C)CS3)nc(=O)c2c1C ZINC000766301939 868231544 /nfs/dbraw/zinc/23/15/44/868231544.db2.gz UCIAPOJWLYVFGN-CBAPKCEASA-N -1 3 397.547 3.755 20 0 GHADHM CCc1cccc(CC)c1NC(=O)Cc1noc(-c2cccc(OC)c2[O-])n1 ZINC000445312913 868247653 /nfs/dbraw/zinc/24/76/53/868247653.db2.gz SPKKSKWXRVLWMY-UHFFFAOYSA-N -1 3 381.432 3.757 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000156192524 868282252 /nfs/dbraw/zinc/28/22/52/868282252.db2.gz ASRXZVLCUXNJDV-UHFFFAOYSA-N -1 3 396.896 3.610 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000156556414 868397977 /nfs/dbraw/zinc/39/79/77/868397977.db2.gz VZPRVECOTMMMNF-UHFFFAOYSA-N -1 3 381.500 3.536 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c(Cl)cc1F ZINC000156995239 868523039 /nfs/dbraw/zinc/52/30/39/868523039.db2.gz FQTHZHHKOBMGBE-UHFFFAOYSA-N -1 3 386.807 3.612 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2n[nH]cc2c1 ZINC000553969748 868539155 /nfs/dbraw/zinc/53/91/55/868539155.db2.gz MTYRMQHKTARYBF-SNVBAGLBSA-N -1 3 389.253 3.591 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1(c2ccccc2)CCCC1 ZINC000479813048 868551665 /nfs/dbraw/zinc/55/16/65/868551665.db2.gz DTOLASYHFMKACQ-AWEZNQCLSA-N -1 3 377.444 3.592 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(Cc2ccccc2F)n1 ZINC000157119050 868564051 /nfs/dbraw/zinc/56/40/51/868564051.db2.gz UJNVQCCQJRGZMP-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM COc1ccccc1OCc1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000157149417 868572847 /nfs/dbraw/zinc/57/28/47/868572847.db2.gz NLFKTTJIMCVCEY-UHFFFAOYSA-N -1 3 398.806 3.816 20 0 GHADHM CCOc1ncc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1Cl ZINC000744216020 868671452 /nfs/dbraw/zinc/67/14/52/868671452.db2.gz ATGOCTOMKLRWSV-UHFFFAOYSA-N -1 3 385.807 3.824 20 0 GHADHM CCO[C@@H](C)c1ncc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000744216489 868672850 /nfs/dbraw/zinc/67/28/50/868672850.db2.gz IJZCANVBFNYULE-LBPRGKRZSA-N -1 3 385.445 3.931 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432953 882219944 /nfs/dbraw/zinc/21/99/44/882219944.db2.gz NUXYOWDRBWDERY-VIFPVBQESA-N -1 3 393.818 3.649 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000648433374 882223610 /nfs/dbraw/zinc/22/36/10/882223610.db2.gz ZRQUVWAVHOKMGR-VHSXEESVSA-N -1 3 379.716 3.541 20 0 GHADHM Cc1sc2ncn([N-]C(=O)[C@@H](C)C(F)(F)F)c(=O)c2c1-c1ccccc1 ZINC000744353363 868776146 /nfs/dbraw/zinc/77/61/46/868776146.db2.gz WYYXLQRIMHESAC-SECBINFHSA-N -1 3 381.379 3.702 20 0 GHADHM CC(C)S(=O)(=O)CCCSc1nnc([N-]c2ccccc2F)s1 ZINC000158049365 868842762 /nfs/dbraw/zinc/84/27/62/868842762.db2.gz MMUFLRUYWNJCBS-UHFFFAOYSA-N -1 3 375.516 3.726 20 0 GHADHM CC(C)OCc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648433719 882234777 /nfs/dbraw/zinc/23/47/77/882234777.db2.gz LQMXDPKELLVKHV-UHFFFAOYSA-N -1 3 375.778 3.698 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cnn(CC(C)C)c1C(F)F)c2=O ZINC000535568184 868990476 /nfs/dbraw/zinc/99/04/76/868990476.db2.gz ZIWSCJPWWQTZTO-UHFFFAOYSA-N -1 3 390.390 3.579 20 0 GHADHM Cc1cccc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)n1 ZINC000524417939 869043245 /nfs/dbraw/zinc/04/32/45/869043245.db2.gz WFVLFHCMPHOATO-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000181955270 869250370 /nfs/dbraw/zinc/25/03/70/869250370.db2.gz FNIOIFLBSDZPSX-GHTZIAJQSA-N -1 3 392.499 3.630 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462378508 869322876 /nfs/dbraw/zinc/32/28/76/869322876.db2.gz FCSPMFZRCHJQGB-INIZCTEOSA-N -1 3 388.533 3.994 20 0 GHADHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1OCCC(C)C ZINC000122273157 869389085 /nfs/dbraw/zinc/38/90/85/869389085.db2.gz NYBLULKCFDSRHY-UHFFFAOYSA-N -1 3 388.439 3.520 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000524647072 869397126 /nfs/dbraw/zinc/39/71/26/869397126.db2.gz OSSOUEQNAZSDMM-UHFFFAOYSA-N -1 3 395.894 3.939 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000524647072 869397136 /nfs/dbraw/zinc/39/71/36/869397136.db2.gz OSSOUEQNAZSDMM-UHFFFAOYSA-N -1 3 395.894 3.939 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CCC2)c(Br)c1 ZINC000462436930 869427872 /nfs/dbraw/zinc/42/78/72/869427872.db2.gz MHHVGURFRYOOOG-UHFFFAOYSA-N -1 3 397.132 3.598 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCOc2ccccc2)s1 ZINC000462445774 869444087 /nfs/dbraw/zinc/44/40/87/869444087.db2.gz ODDBIZUYDWQVKT-UHFFFAOYSA-N -1 3 390.324 3.566 20 0 GHADHM CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857505045 882304190 /nfs/dbraw/zinc/30/41/90/882304190.db2.gz VLSZUEWSYHIDPN-LJQANCHMSA-N -1 3 396.487 3.676 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(Cc4cccc(F)c4)n3)cs2)o1 ZINC000539748888 869712475 /nfs/dbraw/zinc/71/24/75/869712475.db2.gz ZHUVWDBHKULSME-UHFFFAOYSA-N -1 3 383.408 3.812 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(Br)ccc2F)cc1[O-] ZINC000745651720 869720986 /nfs/dbraw/zinc/72/09/86/869720986.db2.gz ABMFRKMITDPSSS-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(OCC(F)(F)F)cc2)cc1[O-] ZINC000745651906 869721311 /nfs/dbraw/zinc/72/13/11/869721311.db2.gz AIQXKEHVNSZCAR-UHFFFAOYSA-N -1 3 399.321 3.869 20 0 GHADHM CCCC(=O)N1CCC[C@H]1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000446364794 869751563 /nfs/dbraw/zinc/75/15/63/869751563.db2.gz WJAABSNCBPKSRV-HNNXBMFYSA-N -1 3 395.290 3.535 20 0 GHADHM CCCC(=O)N1CCC[C@@H]1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000446364796 869751874 /nfs/dbraw/zinc/75/18/74/869751874.db2.gz WJAABSNCBPKSRV-OAHLLOKOSA-N -1 3 395.290 3.535 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC)cc2)cc1 ZINC000745976677 869922074 /nfs/dbraw/zinc/92/20/74/869922074.db2.gz JFDIBQSVZMFURT-UHFFFAOYSA-N -1 3 390.505 3.760 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1ccc(F)cc1 ZINC000462702674 869929056 /nfs/dbraw/zinc/92/90/56/869929056.db2.gz HSXPPGGBUZSPTP-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000462707171 869937597 /nfs/dbraw/zinc/93/75/97/869937597.db2.gz UMQHYALDGDMYIM-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nsnc4c3)c2)n1 ZINC000539955347 870086896 /nfs/dbraw/zinc/08/68/96/870086896.db2.gz PWUZYPLFOCRIRV-UHFFFAOYSA-N -1 3 377.429 3.669 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cnn(C(C)C)c2)s1 ZINC000525174360 870145122 /nfs/dbraw/zinc/14/51/22/870145122.db2.gz QVPJVHVEMHERRA-SNVBAGLBSA-N -1 3 392.344 3.636 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2nc(C)c(Br)c(C)n2)c1[O-] ZINC001149189909 870178058 /nfs/dbraw/zinc/17/80/58/870178058.db2.gz BTSTUDGBNPWBNE-UHFFFAOYSA-N -1 3 387.237 3.670 20 0 GHADHM Cc1nc(C)c(CC(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)c(=O)[n-]1 ZINC000920799537 882382079 /nfs/dbraw/zinc/38/20/79/882382079.db2.gz QQLDJFOKTWXAFV-UHFFFAOYSA-N -1 3 377.322 3.514 20 0 GHADHM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2)no1 ZINC000525235565 870227753 /nfs/dbraw/zinc/22/77/53/870227753.db2.gz CDSZYOSMCGCINL-UHFFFAOYSA-N -1 3 392.419 3.956 20 0 GHADHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000793735410 882396426 /nfs/dbraw/zinc/39/64/26/882396426.db2.gz MLLPCECIWXTRCI-PWSUYJOCSA-N -1 3 391.249 3.513 20 0 GHADHM COCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000793737176 882397746 /nfs/dbraw/zinc/39/77/46/882397746.db2.gz VNZJDGDMSAFIKI-UHFFFAOYSA-N -1 3 398.887 3.648 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1C ZINC000614808206 870388259 /nfs/dbraw/zinc/38/82/59/870388259.db2.gz LLMJOBGNQVNZSK-UHFFFAOYSA-N -1 3 388.489 3.851 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)ccc2Br)[n-]c1=O ZINC000193264613 870469257 /nfs/dbraw/zinc/46/92/57/870469257.db2.gz VYZLQVZIHFLJQJ-RMKNXTFCSA-N -1 3 397.656 3.923 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000193282068 870584434 /nfs/dbraw/zinc/58/44/34/870584434.db2.gz UKQWJZLYOVKQKQ-OAHLLOKOSA-N -1 3 395.242 3.648 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)CCCc3csc4ccccc34)cc2n(C)c1=O ZINC000461618426 870640636 /nfs/dbraw/zinc/64/06/36/870640636.db2.gz KCVRSOLKFSVOIK-UHFFFAOYSA-N -1 3 395.484 3.759 20 0 GHADHM COc1cccc([C@@H](C)CCCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461623979 870648065 /nfs/dbraw/zinc/64/80/65/870648065.db2.gz NSKZIXJQJSHUKQ-AWEZNQCLSA-N -1 3 397.475 3.504 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)CCCc3ccc4ccccc4c3)cc2n(C)c1=O ZINC000461627934 870654118 /nfs/dbraw/zinc/65/41/18/870654118.db2.gz FSKOWUYUNKWWAZ-UHFFFAOYSA-N -1 3 389.455 3.697 20 0 GHADHM O=C([C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccccc1)N1CCCCC1 ZINC000737782119 870661349 /nfs/dbraw/zinc/66/13/49/870661349.db2.gz LELKTMIJQOYQHK-SFHVURJKSA-N -1 3 379.489 3.713 20 0 GHADHM O=C([C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccccc1)N1CCCCC1 ZINC000737782119 870661359 /nfs/dbraw/zinc/66/13/59/870661359.db2.gz LELKTMIJQOYQHK-SFHVURJKSA-N -1 3 379.489 3.713 20 0 GHADHM CN1CCC(N(Cc2ccc(F)cc2)C(=O)c2ccc([O-])c(F)c2F)CC1 ZINC001192839112 870722362 /nfs/dbraw/zinc/72/23/62/870722362.db2.gz CTTKIVRPXDIRDO-UHFFFAOYSA-N -1 3 378.394 3.546 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCCS1)c1cc(Cl)ccc1Br ZINC001193101453 870884554 /nfs/dbraw/zinc/88/45/54/870884554.db2.gz SFLMVBGECQABSQ-SNVBAGLBSA-N -1 3 384.748 3.667 20 0 GHADHM COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000003507643 870900012 /nfs/dbraw/zinc/90/00/12/870900012.db2.gz XKCYQKUYDIKFIH-FQEVSTJZSA-N -1 3 377.396 3.938 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1cnc(Cl)c(Cl)c1 ZINC000766543208 871037477 /nfs/dbraw/zinc/03/74/77/871037477.db2.gz DWECOWFYHGJSTG-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)c1 ZINC001193390835 871072218 /nfs/dbraw/zinc/07/22/18/871072218.db2.gz DOEMTNJTOBPVHL-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM Cc1ccc(NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1-c1nnn[n-]1 ZINC001169033807 871111710 /nfs/dbraw/zinc/11/17/10/871111710.db2.gz LRHAKWADDFVJKV-UHFFFAOYSA-N -1 3 387.369 3.693 20 0 GHADHM Cc1ccc(NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1-c1nn[n-]n1 ZINC001169033807 871111723 /nfs/dbraw/zinc/11/17/23/871111723.db2.gz LRHAKWADDFVJKV-UHFFFAOYSA-N -1 3 387.369 3.693 20 0 GHADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000181515036 871126912 /nfs/dbraw/zinc/12/69/12/871126912.db2.gz AEBGVWARDYESKG-OAHLLOKOSA-N -1 3 392.431 3.815 20 0 GHADHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000181515007 871127145 /nfs/dbraw/zinc/12/71/45/871127145.db2.gz AJVAFWOIDJHXJM-AWEZNQCLSA-N -1 3 378.404 3.569 20 0 GHADHM C[C@H]1CN(CCC[N-]C(=O)C(F)(F)F)c2ccccc2N1Cc1ccccc1 ZINC001193517293 871156160 /nfs/dbraw/zinc/15/61/60/871156160.db2.gz QILGASHTHBDVJX-INIZCTEOSA-N -1 3 391.437 3.970 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1F)c1cnc(Cl)c(F)c1 ZINC001193678627 871230061 /nfs/dbraw/zinc/23/00/61/871230061.db2.gz GZBOZAMTKNZWDF-UHFFFAOYSA-N -1 3 387.622 3.799 20 0 GHADHM CCOC(=O)CN(Cc1ccsc1)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193745145 871266995 /nfs/dbraw/zinc/26/69/95/871266995.db2.gz DTQKQQQMFNMZJG-UHFFFAOYSA-N -1 3 387.379 3.678 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]OC3CCCC3)C2)c2ccccc12 ZINC000775601237 871277536 /nfs/dbraw/zinc/27/75/36/871277536.db2.gz SGIUBQOKFXVQEW-INIZCTEOSA-N -1 3 396.487 3.691 20 0 GHADHM O=C(NCC1(Cc2ccncc2)CCOCC1)c1ccc([O-])cc1C(F)(F)F ZINC001193759691 871298301 /nfs/dbraw/zinc/29/83/01/871298301.db2.gz XHGZDLNMPKVIAH-UHFFFAOYSA-N -1 3 394.393 3.575 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447275339 871342231 /nfs/dbraw/zinc/34/22/31/871342231.db2.gz SDUKUSKXFPTMDJ-UHFFFAOYSA-N -1 3 379.331 3.513 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)[n-]1 ZINC000793958839 882501482 /nfs/dbraw/zinc/50/14/82/882501482.db2.gz ITNFFMUWKVWWTI-UHFFFAOYSA-N -1 3 394.431 3.586 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)c[n-]1 ZINC000793958839 882501486 /nfs/dbraw/zinc/50/14/86/882501486.db2.gz ITNFFMUWKVWWTI-UHFFFAOYSA-N -1 3 394.431 3.586 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000525748711 871374070 /nfs/dbraw/zinc/37/40/70/871374070.db2.gz AGKAMXWZQLEFGG-UHFFFAOYSA-N -1 3 377.326 3.828 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000525748711 871374088 /nfs/dbraw/zinc/37/40/88/871374088.db2.gz AGKAMXWZQLEFGG-UHFFFAOYSA-N -1 3 377.326 3.828 20 0 GHADHM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001193937639 871380540 /nfs/dbraw/zinc/38/05/40/871380540.db2.gz DADFRKVWAHAXOQ-UHFFFAOYSA-N -1 3 398.750 3.711 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2s1 ZINC000525774433 871414771 /nfs/dbraw/zinc/41/47/71/871414771.db2.gz MCBOLCKHPKEMPH-UHFFFAOYSA-N -1 3 383.473 3.668 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921006574 882524215 /nfs/dbraw/zinc/52/42/15/882524215.db2.gz BOWIBYZRAWKRCH-MRXNPFEDSA-N -1 3 381.806 3.722 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000539223070 871536482 /nfs/dbraw/zinc/53/64/82/871536482.db2.gz TXPUOVHGJDLYMZ-GDBMZVCRSA-N -1 3 390.263 3.941 20 0 GHADHM Cc1cc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1Cl ZINC000462127942 871625813 /nfs/dbraw/zinc/62/58/13/871625813.db2.gz UKBQLNVWEXVJRO-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)nc3Br)cc2s1 ZINC000794024709 882541449 /nfs/dbraw/zinc/54/14/49/882541449.db2.gz BBPJQZLLYWWEEK-UHFFFAOYSA-N -1 3 398.307 3.871 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(=O)n(-c2ccccc2)c1 ZINC001194573581 871804263 /nfs/dbraw/zinc/80/42/63/871804263.db2.gz GLBXWZODPSIPRR-UHFFFAOYSA-N -1 3 385.217 3.558 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)c(Cl)c2)cc1F ZINC001194650747 871853569 /nfs/dbraw/zinc/85/35/69/871853569.db2.gz RBLLKTYUMFSIMN-UHFFFAOYSA-N -1 3 396.242 3.801 20 0 GHADHM O=C(N[C@@H](CC(=O)N1CCC[C@H](CCF)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000618694877 871863101 /nfs/dbraw/zinc/86/31/01/871863101.db2.gz BLBUAZDVGCRXJW-UTKZUKDTSA-N -1 3 398.478 3.852 20 0 GHADHM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000526033320 871936567 /nfs/dbraw/zinc/93/65/67/871936567.db2.gz VFGMNTWTLQQDKO-ILZDJORESA-N -1 3 396.462 3.588 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)nc(Cl)nc2Cl)c(C)c1C ZINC001194839493 871984424 /nfs/dbraw/zinc/98/44/24/871984424.db2.gz VDVHORAGZUHOJT-UHFFFAOYSA-N -1 3 390.292 3.826 20 0 GHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C1CC1 ZINC000618861695 872059918 /nfs/dbraw/zinc/05/99/18/872059918.db2.gz NLGRGEWAEVNWAP-GOSISDBHSA-N -1 3 390.480 3.853 20 0 GHADHM CC(C)N(C(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@@H](C)c1ccccc1 ZINC001194973299 872066304 /nfs/dbraw/zinc/06/63/04/872066304.db2.gz YYFSUUDPTXYUCY-AWEZNQCLSA-N -1 3 378.469 3.809 20 0 GHADHM Cc1cc(=NC(=O)c2cc3c(C)nn(C)c3s2)[n-]n1-c1cc(C)cc(C)c1 ZINC000540746175 872091719 /nfs/dbraw/zinc/09/17/19/872091719.db2.gz OVWRQOJBDDZSJN-UHFFFAOYSA-N -1 3 379.489 3.728 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001271914219 872100007 /nfs/dbraw/zinc/10/00/07/872100007.db2.gz BEBQBWCESQLKJY-HXUWFJFHSA-N -1 3 376.884 3.585 20 0 GHADHM Cc1nnc([C@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)[nH]1 ZINC000540847172 872305164 /nfs/dbraw/zinc/30/51/64/872305164.db2.gz YOTBXGZHFBNHPO-IBGZPJMESA-N -1 3 390.487 3.624 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000526959360 872360100 /nfs/dbraw/zinc/36/01/00/872360100.db2.gz LECSGBWZVXKQJP-AAJCAMDUSA-N -1 3 383.414 3.771 20 0 GHADHM CC(C)(C)n1ncc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1-c1ccccc1 ZINC000526961009 872363160 /nfs/dbraw/zinc/36/31/60/872363160.db2.gz XVGSOZXMXAKMIH-KRWDZBQOSA-N -1 3 379.464 3.554 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(C)nn1Cc1ccc(C(F)(F)F)cc1 ZINC001195457854 872402282 /nfs/dbraw/zinc/40/22/82/872402282.db2.gz GIFRAZSAJPOKNR-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM CCOC(=O)N=C([S-])Nc1cc(C)nn1Cc1ccc(C(F)(F)F)cc1 ZINC001195457854 872402289 /nfs/dbraw/zinc/40/22/89/872402289.db2.gz GIFRAZSAJPOKNR-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(C)nn1Cc1ccc(C(F)(F)F)cc1 ZINC001195457854 872402301 /nfs/dbraw/zinc/40/23/01/872402301.db2.gz GIFRAZSAJPOKNR-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ncccc12)c1cc(Br)ccc1F ZINC001195499514 872450194 /nfs/dbraw/zinc/45/01/94/872450194.db2.gz XHPXLFYHAKJZKI-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-][C@@H]1CC12CCC(F)(F)CC2)c1cc(Br)ccc1F ZINC001195506762 872456152 /nfs/dbraw/zinc/45/61/52/872456152.db2.gz YKWWDQJCZMTWTM-GFCCVEGCSA-N -1 3 398.244 3.835 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)n1 ZINC000447887652 872478316 /nfs/dbraw/zinc/47/83/16/872478316.db2.gz FNQQUYYEXACGOE-UZLBHIALSA-N -1 3 390.487 3.599 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000093924047 872483819 /nfs/dbraw/zinc/48/38/19/872483819.db2.gz PQOGSOOYGFUBGI-UHFFFAOYSA-N -1 3 378.472 3.652 20 0 GHADHM Cc1ccc(F)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767699 882624244 /nfs/dbraw/zinc/62/42/44/882624244.db2.gz FRCAOVBMIMSFFD-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(I)ccc2[O-])C1 ZINC000619441266 872631013 /nfs/dbraw/zinc/63/10/13/872631013.db2.gz JVNQTPPHXROCHI-JQWIXIFHSA-N -1 3 389.233 3.531 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000619445921 872633201 /nfs/dbraw/zinc/63/32/01/872633201.db2.gz AKCSPTLULBYLGI-GOSISDBHSA-N -1 3 377.444 3.942 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)c[n-]1 ZINC000619445921 872633206 /nfs/dbraw/zinc/63/32/06/872633206.db2.gz AKCSPTLULBYLGI-GOSISDBHSA-N -1 3 377.444 3.942 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCN(C4CCCCC4)C3=O)nc2)n1 ZINC000527200312 872798795 /nfs/dbraw/zinc/79/87/95/872798795.db2.gz FFGCDPRNFWXQEB-SFHVURJKSA-N -1 3 395.507 3.542 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1F ZINC000541076615 872862859 /nfs/dbraw/zinc/86/28/59/872862859.db2.gz ASBOXHXNKJQCQF-UHFFFAOYSA-N -1 3 389.358 3.670 20 0 GHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)cc1 ZINC000182869504 872907094 /nfs/dbraw/zinc/90/70/94/872907094.db2.gz PCJDRGKTUOBWBK-GOSISDBHSA-N -1 3 390.418 3.843 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(-c4nc([O-])n[nH]4)c3)cc12 ZINC000552624355 872917364 /nfs/dbraw/zinc/91/73/64/872917364.db2.gz GCIUJLSFAQYTKQ-UHFFFAOYSA-N -1 3 382.449 3.501 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)[n-]1 ZINC000619727798 872931735 /nfs/dbraw/zinc/93/17/35/872931735.db2.gz ZTBMOSSWCUTIIY-UHFFFAOYSA-N -1 3 399.451 3.526 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)c[n-]1 ZINC000619727798 872931742 /nfs/dbraw/zinc/93/17/42/872931742.db2.gz ZTBMOSSWCUTIIY-UHFFFAOYSA-N -1 3 399.451 3.526 20 0 GHADHM O=S(=O)([N-]Cc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cn1 ZINC001196255223 872973455 /nfs/dbraw/zinc/97/34/55/872973455.db2.gz PKCVSWIKVHHXFC-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1Cl)c1ccc(Cl)cn1 ZINC001196266484 872979124 /nfs/dbraw/zinc/97/91/24/872979124.db2.gz GVXWNGKPYOGOMA-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2Br)c(F)c1 ZINC001196380829 873063840 /nfs/dbraw/zinc/06/38/40/873063840.db2.gz ZXCYOUWFYNEMBG-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccc2n[n-]nc21 ZINC000527364233 873082330 /nfs/dbraw/zinc/08/23/30/873082330.db2.gz WBQFMEMYZCGHFB-UHFFFAOYSA-N -1 3 376.391 3.606 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(Br)c(C)c3F)n[n-]2)o1 ZINC000448252671 873094498 /nfs/dbraw/zinc/09/44/98/873094498.db2.gz QVTYKRCETYULBF-UHFFFAOYSA-N -1 3 379.189 3.835 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(I)c2)c2ccccc21 ZINC001196428661 873109125 /nfs/dbraw/zinc/10/91/25/873109125.db2.gz OPGOPQUADRPBHR-MGPLVRAMSA-N -1 3 393.224 3.975 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000176400230 882688743 /nfs/dbraw/zinc/68/87/43/882688743.db2.gz GHEGSESELOKCCG-NRFANRHFSA-N -1 3 395.499 3.783 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(F)n1 ZINC001196462033 873143961 /nfs/dbraw/zinc/14/39/61/873143961.db2.gz JIYWGCQYXNGABF-UHFFFAOYSA-N -1 3 381.429 3.677 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499907 873184526 /nfs/dbraw/zinc/18/45/26/873184526.db2.gz GQGGGAJCXHIANX-NSHDSACASA-N -1 3 394.909 3.703 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(OCC3CCOCC3)c(F)c2)o1 ZINC001196612667 873253216 /nfs/dbraw/zinc/25/32/16/873253216.db2.gz PIYRAQRXKYSZPC-UHFFFAOYSA-N -1 3 395.406 3.703 20 0 GHADHM COC(=O)c1ccc(NC(=S)Nc2ccc(Br)cc2[O-])cc1 ZINC001196755517 873354241 /nfs/dbraw/zinc/35/42/41/873354241.db2.gz GYNHGTGZVXRPRE-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1F ZINC000176627651 882720184 /nfs/dbraw/zinc/72/01/84/882720184.db2.gz AGLMPNJLJYNYQP-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cnn(Cc2ccccc2)c1 ZINC000464200312 873425876 /nfs/dbraw/zinc/42/58/76/873425876.db2.gz UQPWATHFLYUICK-ZDUSSCGKSA-N -1 3 393.871 3.763 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(-c2cccc(F)c2)c1 ZINC001197065782 873573879 /nfs/dbraw/zinc/57/38/79/873573879.db2.gz RRGLVEJMUZCYGS-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)(C(=O)OC)c1ccccc1 ZINC000768838999 873619463 /nfs/dbraw/zinc/61/94/63/873619463.db2.gz ZRRPXIDGGYSRCB-HYSAVQALSA-N -1 3 393.892 3.709 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cscc3Br)CCC2)n1 ZINC000632048180 873624754 /nfs/dbraw/zinc/62/47/54/873624754.db2.gz BTVKXDQUFLREHS-UHFFFAOYSA-N -1 3 393.353 3.633 20 0 GHADHM Cc1cccc(Oc2ccccc2NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001197360971 873736777 /nfs/dbraw/zinc/73/67/77/873736777.db2.gz YPXMXQOEFKCCNN-UHFFFAOYSA-N -1 3 382.445 3.893 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001197382835 873753687 /nfs/dbraw/zinc/75/36/87/873753687.db2.gz QANNENOFOPMBNE-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)c1 ZINC001197382861 873754155 /nfs/dbraw/zinc/75/41/55/873754155.db2.gz RJZQNADABCCPET-UHFFFAOYSA-N -1 3 379.331 3.675 20 0 GHADHM O=C(NCC1(c2ccccc2)CCOCC1)c1cc([O-])cc(Br)c1 ZINC000527937496 873777417 /nfs/dbraw/zinc/77/74/17/873777417.db2.gz CXEPIWSNQXCGHM-UHFFFAOYSA-N -1 3 390.277 3.633 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2F)c1 ZINC001197376448 873784238 /nfs/dbraw/zinc/78/42/38/873784238.db2.gz FVYRMSMCRSHFKC-UHFFFAOYSA-N -1 3 379.331 3.675 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000541572904 873886451 /nfs/dbraw/zinc/88/64/51/873886451.db2.gz OFXBSOVXVIQOQC-MEDUHNTESA-N -1 3 375.266 3.695 20 0 GHADHM C[C@H](c1ccccn1)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000541575138 873891244 /nfs/dbraw/zinc/89/12/44/873891244.db2.gz YEKFXDDUMCPJRD-LLVKDONJSA-N -1 3 391.349 3.655 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cnn(Cc2ccccc2)c1 ZINC001197642832 873942376 /nfs/dbraw/zinc/94/23/76/873942376.db2.gz KGSGNSYQXLZBTE-UHFFFAOYSA-N -1 3 379.844 3.666 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000448778877 873957225 /nfs/dbraw/zinc/95/72/25/873957225.db2.gz BGZAHPGUJVZPIP-CQSZACIVSA-N -1 3 379.815 3.924 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448816052 873987948 /nfs/dbraw/zinc/98/79/48/873987948.db2.gz LOWDJYSPKADPET-UHFFFAOYSA-N -1 3 381.451 3.566 20 0 GHADHM O=C(Nc1cnc2ccc(Cl)nn12)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197699352 873988472 /nfs/dbraw/zinc/98/84/72/873988472.db2.gz FNDCSKNXWYVMJV-UHFFFAOYSA-N -1 3 394.818 3.920 20 0 GHADHM O=C(Nc1cnn(C2CCOCC2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197705412 873992111 /nfs/dbraw/zinc/99/21/11/873992111.db2.gz HTSGIQNNSKBBRF-UHFFFAOYSA-N -1 3 393.443 3.772 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(C)c1)c1ccco1 ZINC000769447332 874078686 /nfs/dbraw/zinc/07/86/86/874078686.db2.gz OFDWTTKSOMYHBS-QGZVFWFLSA-N -1 3 392.864 3.713 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000134224321 882792662 /nfs/dbraw/zinc/79/26/62/882792662.db2.gz PXCHDJSCGPCHSS-UHFFFAOYSA-N -1 3 392.377 3.902 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H](F)c1ccccc1 ZINC000769571033 874165077 /nfs/dbraw/zinc/16/50/77/874165077.db2.gz MVOHFMTUGUEWQV-CQSZACIVSA-N -1 3 390.358 3.726 20 0 GHADHM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000464643526 874220018 /nfs/dbraw/zinc/22/00/18/874220018.db2.gz NQHKSPHRNQBPPV-IBGZPJMESA-N -1 3 390.483 3.700 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000769741301 874277363 /nfs/dbraw/zinc/27/73/63/874277363.db2.gz JGQJYPJSQYUNRP-YOEHRIQHSA-N -1 3 376.497 3.863 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1CC ZINC000541791234 874281086 /nfs/dbraw/zinc/28/10/86/874281086.db2.gz BMIIFTJNRHRZTO-UHFFFAOYSA-N -1 3 398.528 3.838 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccc(F)cc1)c1cccc(Cl)n1 ZINC001198260139 874290643 /nfs/dbraw/zinc/29/06/43/874290643.db2.gz RTARBLVUSVPWRM-MRXNPFEDSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)s1 ZINC000541812897 874304531 /nfs/dbraw/zinc/30/45/31/874304531.db2.gz OXHMDEWETDWIPE-SSDOTTSWSA-N -1 3 395.369 3.666 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccncc1OC(F)(F)F ZINC001198249499 874310757 /nfs/dbraw/zinc/31/07/57/874310757.db2.gz FNWVPHYVMLTKGL-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Br)cc2F)cn1 ZINC001198317994 874349214 /nfs/dbraw/zinc/34/92/14/874349214.db2.gz NQDUYJWPXWXJPP-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2Cl)c1 ZINC000145761226 874365126 /nfs/dbraw/zinc/36/51/26/874365126.db2.gz SZDRNFMBMQCJSS-UHFFFAOYSA-N -1 3 398.894 3.503 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000769971716 874370253 /nfs/dbraw/zinc/37/02/53/874370253.db2.gz RSTVWIFUXXIEJX-MAUKXSAKSA-N -1 3 375.490 3.542 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c(C)c1 ZINC001198722917 874581337 /nfs/dbraw/zinc/58/13/37/874581337.db2.gz OQIDXLWWAYMISR-JTQLQIEISA-N -1 3 375.277 3.745 20 0 GHADHM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc([O-])cc(Br)c1 ZINC000528461834 874592985 /nfs/dbraw/zinc/59/29/85/874592985.db2.gz CBBZXQZPNVYOPX-UHFFFAOYSA-N -1 3 394.240 3.730 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001198710634 874600808 /nfs/dbraw/zinc/60/08/08/874600808.db2.gz ZRNKHXVVCWPLPF-VIFPVBQESA-N -1 3 394.802 3.802 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1cc(Br)ccc1F ZINC000528498284 874632599 /nfs/dbraw/zinc/63/25/99/874632599.db2.gz CITVWVXMVYCLFC-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2)cc1 ZINC000134315619 882848840 /nfs/dbraw/zinc/84/88/40/882848840.db2.gz RSFZFCRBWMLGLU-UHFFFAOYSA-N -1 3 381.457 3.681 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2sccc21)c1ccc(Br)s1 ZINC000061371864 882853451 /nfs/dbraw/zinc/85/34/51/882853451.db2.gz UCPLNRJBFFMLKV-VIFPVBQESA-N -1 3 378.338 3.928 20 0 GHADHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1cnc(N2CCCCC2)s1 ZINC000775933437 874794457 /nfs/dbraw/zinc/79/44/57/874794457.db2.gz OFENVOOJUUORFM-UHFFFAOYSA-N -1 3 380.853 3.532 20 0 GHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc(OC(F)F)cc1 ZINC000775934898 874795717 /nfs/dbraw/zinc/79/57/17/874795717.db2.gz FLOFKPOSCURSOT-VIFPVBQESA-N -1 3 385.750 3.831 20 0 GHADHM COc1cc(C)c([C@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000770926401 874948276 /nfs/dbraw/zinc/94/82/76/874948276.db2.gz BTOKBKKLYDSJFQ-ZDUSSCGKSA-N -1 3 395.452 3.741 20 0 GHADHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2)c1 ZINC000130171594 874970090 /nfs/dbraw/zinc/97/00/90/874970090.db2.gz LROQJLYMCVBDQN-OAHLLOKOSA-N -1 3 382.782 3.626 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(OCC2CCC2)ccn1 ZINC001199536178 875041172 /nfs/dbraw/zinc/04/11/72/875041172.db2.gz JSCBMCANOQQHCX-UHFFFAOYSA-N -1 3 377.238 3.981 20 0 GHADHM Cc1cnccc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001201072746 875510683 /nfs/dbraw/zinc/51/06/83/875510683.db2.gz IAENUAXZAKSXAK-OAHLLOKOSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1cccnc1COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000771909952 875550838 /nfs/dbraw/zinc/55/08/38/875550838.db2.gz DCNFSCSHDWFXAY-HXUWFJFHSA-N -1 3 390.439 3.700 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)C)c2)cc1 ZINC000017172608 875700628 /nfs/dbraw/zinc/70/06/28/875700628.db2.gz SVUDWQZQKSEXSD-UHFFFAOYSA-N -1 3 390.505 3.580 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(F)c1Br ZINC001201792304 875858928 /nfs/dbraw/zinc/85/89/28/875858928.db2.gz MINOTNFEMVLPML-AAEUAGOBSA-N -1 3 388.233 3.562 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000450045234 875866146 /nfs/dbraw/zinc/86/61/46/875866146.db2.gz QHLCJWQEOCVFJX-UHFFFAOYSA-N -1 3 391.884 3.534 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cccc(F)c1Br ZINC001201787050 875882879 /nfs/dbraw/zinc/88/28/79/875882879.db2.gz IJHFKGGAJINKJB-ZDUSSCGKSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1cccc(F)c1Br ZINC001201788846 875883860 /nfs/dbraw/zinc/88/38/60/875883860.db2.gz QFQBGSNFSYWZMG-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2sccc21)c1cccc(F)c1Br ZINC001201789917 875885292 /nfs/dbraw/zinc/88/52/92/875885292.db2.gz OWKJZERPOWVUMS-JTQLQIEISA-N -1 3 376.272 3.616 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201791832 875886617 /nfs/dbraw/zinc/88/66/17/875886617.db2.gz ZVGIAQOVNFREEQ-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cccc(F)c1Br ZINC001201791513 875886886 /nfs/dbraw/zinc/88/68/86/875886886.db2.gz PYBSSJTUKGUEPM-UHFFFAOYSA-N -1 3 388.302 3.835 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1ncccc1OCc1ccccc1 ZINC001201884631 875904116 /nfs/dbraw/zinc/90/41/16/875904116.db2.gz BNHVDWFSVDFNIX-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cc([O-])cc(Br)c1 ZINC000529410516 876103359 /nfs/dbraw/zinc/10/33/59/876103359.db2.gz MLZFGIYUOLBBOT-GFCCVEGCSA-N -1 3 393.256 3.550 20 0 GHADHM C[C@H]1c2cccc(Br)c2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450352205 876316905 /nfs/dbraw/zinc/31/69/05/876316905.db2.gz BJBIAMAWBGEDMU-NSHDSACASA-N -1 3 378.241 3.982 20 0 GHADHM Cc1cc(Br)cc2c1CN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000450399497 876377295 /nfs/dbraw/zinc/37/72/95/876377295.db2.gz DHQMUMSCIVZYEL-UHFFFAOYSA-N -1 3 378.241 3.730 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cc2occc2[n-]1 ZINC000786031175 876418088 /nfs/dbraw/zinc/41/80/88/876418088.db2.gz PEPRORDSWWMYLX-UHFFFAOYSA-N -1 3 378.138 3.523 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccccc2Br)C2CC2)s1 ZINC000173488431 876418038 /nfs/dbraw/zinc/41/80/38/876418038.db2.gz GBKSXTJIGSFGBB-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccccc1C(=O)c1ccccc1 ZINC000786030984 876418169 /nfs/dbraw/zinc/41/81/69/876418169.db2.gz DVXXACGJNLVLAM-UHFFFAOYSA-N -1 3 388.379 3.787 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cnc1Cl ZINC000786098097 876443530 /nfs/dbraw/zinc/44/35/30/876443530.db2.gz GADSRJDHWCBIHE-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CCCOC(C)=O)c2)cc1C ZINC000776426394 876464823 /nfs/dbraw/zinc/46/48/23/876464823.db2.gz IVFFEVZLYIVWLZ-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1C1CCOCC1 ZINC000850011754 876596576 /nfs/dbraw/zinc/59/65/76/876596576.db2.gz WLHHRUXFTQAHRV-UHFFFAOYSA-N -1 3 397.431 3.569 20 0 GHADHM Cc1noc(C23CC(C2)CN3C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000529744051 876609920 /nfs/dbraw/zinc/60/99/20/876609920.db2.gz CDXQRTXFSPWWTM-UHFFFAOYSA-N -1 3 377.400 3.637 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475744661 883047334 /nfs/dbraw/zinc/04/73/34/883047334.db2.gz AKCMFDSHJORRPS-UHFFFAOYSA-N -1 3 391.443 3.554 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1C ZINC000174055678 876807155 /nfs/dbraw/zinc/80/71/55/876807155.db2.gz HBECEAPPPCOZHN-UHFFFAOYSA-N -1 3 381.469 3.796 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)s1 ZINC000193012367 883069770 /nfs/dbraw/zinc/06/97/70/883069770.db2.gz UHZVVEBBIYKBTL-UHFFFAOYSA-N -1 3 396.398 3.733 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1c(F)ccc(SCC2CC2)c1F ZINC000450746686 876846839 /nfs/dbraw/zinc/84/68/39/876846839.db2.gz KKHHWZBKPBQNOK-UHFFFAOYSA-N -1 3 392.353 3.534 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000529939484 876907017 /nfs/dbraw/zinc/90/70/17/876907017.db2.gz VKGBYWINVFJNKB-UHFFFAOYSA-N -1 3 392.459 3.698 20 0 GHADHM CCc1ccc([O-])c(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c1 ZINC000537669801 883079470 /nfs/dbraw/zinc/07/94/70/883079470.db2.gz CDROICDGBAPDSR-MRXNPFEDSA-N -1 3 399.491 3.821 20 0 GHADHM CN(Cc1ccccc1N1CCCC1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000008307900 877048273 /nfs/dbraw/zinc/04/82/73/877048273.db2.gz BUIAVSKLJVLEKE-UHFFFAOYSA-N -1 3 388.471 3.902 20 0 GHADHM CCc1cccc(F)c1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001129686269 883095681 /nfs/dbraw/zinc/09/56/81/883095681.db2.gz IRERZCLIODWWGD-UHFFFAOYSA-N -1 3 397.443 3.571 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC000450989047 877156989 /nfs/dbraw/zinc/15/69/89/877156989.db2.gz PWSSFICCIGYDKM-GOSISDBHSA-N -1 3 376.478 3.555 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3cc4ccccc4o3)s2)c2ccccc21 ZINC000787140542 877190065 /nfs/dbraw/zinc/19/00/65/877190065.db2.gz HOTYTLXSLCXHOU-UVTDQMKNSA-N -1 3 388.408 3.674 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000450984773 877194353 /nfs/dbraw/zinc/19/43/53/877194353.db2.gz YAUXXCHJCULGMB-UHFFFAOYSA-N -1 3 376.478 3.869 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])C12CC(C(F)(F)F)(C1)C2 ZINC000787155649 877203065 /nfs/dbraw/zinc/20/30/65/877203065.db2.gz SNRRPTFQHIJYPE-UHFFFAOYSA-N -1 3 397.134 3.668 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530156378 877219230 /nfs/dbraw/zinc/21/92/30/877219230.db2.gz ZXWCEPJJWMPPMY-UHFFFAOYSA-N -1 3 398.528 3.756 20 0 GHADHM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1-c1ccccc1F ZINC000530157616 877222683 /nfs/dbraw/zinc/22/26/83/877222683.db2.gz KYIRTYUEBHGSSC-UHFFFAOYSA-N -1 3 391.472 3.719 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000858455208 883112580 /nfs/dbraw/zinc/11/25/80/883112580.db2.gz UJASGEANWXCYOF-UHFFFAOYSA-N -1 3 399.285 3.740 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000476784207 883114401 /nfs/dbraw/zinc/11/44/01/883114401.db2.gz CFCDFYOPPUSBRP-UHFFFAOYSA-N -1 3 399.760 3.624 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000787308752 877334726 /nfs/dbraw/zinc/33/47/26/877334726.db2.gz PIFQGFAWDSBARZ-UHFFFAOYSA-N -1 3 393.405 3.642 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)CC)cc2)cc1CC ZINC000451117033 877382430 /nfs/dbraw/zinc/38/24/30/877382430.db2.gz SKEMJCAYUJYVRT-UHFFFAOYSA-N -1 3 395.546 3.547 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000851153190 877448983 /nfs/dbraw/zinc/44/89/83/877448983.db2.gz HOZLNVFDIWUYER-YPMHNXCESA-N -1 3 379.400 3.584 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000851153187 877449134 /nfs/dbraw/zinc/44/91/34/877449134.db2.gz HOZLNVFDIWUYER-DGCLKSJQSA-N -1 3 379.400 3.584 20 0 GHADHM COC1CCC(C)(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000530318952 877534898 /nfs/dbraw/zinc/53/48/98/877534898.db2.gz OKUNWUDHNQZTBN-UHFFFAOYSA-N -1 3 384.480 3.874 20 0 GHADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000515742313 877596118 /nfs/dbraw/zinc/59/61/18/877596118.db2.gz SGNDVAFPJBWRTC-UHFFFAOYSA-N -1 3 398.244 3.935 20 0 GHADHM O=S(=O)([N-]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(Cl)s1 ZINC000615288800 877600330 /nfs/dbraw/zinc/60/03/30/877600330.db2.gz LEZGOWVTPNYBJP-UHFFFAOYSA-N -1 3 393.921 3.554 20 0 GHADHM CCC(=O)Nc1ccc(C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787844465 877662077 /nfs/dbraw/zinc/66/20/77/877662077.db2.gz LFHCHDRFWKKCFL-UHFFFAOYSA-N -1 3 387.407 3.629 20 0 GHADHM CC(C)[C@H](NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787847960 877667694 /nfs/dbraw/zinc/66/76/94/877667694.db2.gz KINYFBPMBPTXRZ-QFIPXVFZSA-N -1 3 387.451 3.911 20 0 GHADHM CC(C)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000787847020 877668275 /nfs/dbraw/zinc/66/82/75/877668275.db2.gz BSRNUAJIBBHVRJ-QRWLVFNGSA-N -1 3 379.472 3.680 20 0 GHADHM C[C@@H](NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000787851349 877671845 /nfs/dbraw/zinc/67/18/45/877671845.db2.gz YBPUKGHPQMBZGW-CYBMUJFWSA-N -1 3 393.842 3.928 20 0 GHADHM C[C@H](NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000787851350 877671880 /nfs/dbraw/zinc/67/18/80/877671880.db2.gz YBPUKGHPQMBZGW-ZDUSSCGKSA-N -1 3 393.842 3.928 20 0 GHADHM [O-]c1cccc(Nc2cnn(CCO[C@H]3CCCCO3)c2)c1Br ZINC001212956788 912273470 /nfs/dbraw/zinc/27/34/70/912273470.db2.gz HMBAQALFPJWFNS-HNNXBMFYSA-N -1 3 382.258 3.638 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccn(-c2ccc(Br)cc2)n1 ZINC000551774767 877789778 /nfs/dbraw/zinc/78/97/78/877789778.db2.gz KCXWNEKIEPXDAM-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]OCC(C)(C)O)cc1 ZINC000788229442 877934161 /nfs/dbraw/zinc/93/41/61/877934161.db2.gz XILJLBPPKDOQSD-UHFFFAOYSA-N -1 3 382.460 3.595 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1[O-] ZINC000551918231 878020226 /nfs/dbraw/zinc/02/02/26/878020226.db2.gz ZBNWZOSJHNJSQU-ZDUSSCGKSA-N -1 3 381.398 3.727 20 0 GHADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000179867039 878121834 /nfs/dbraw/zinc/12/18/34/878121834.db2.gz WQKSYIFZNKJMCJ-NWDGAFQWSA-N -1 3 381.325 3.651 20 0 GHADHM C[C@H](CCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1c[nH]c2ccccc21 ZINC000774573304 912318511 /nfs/dbraw/zinc/31/85/11/912318511.db2.gz NYXJKVUZLBIUHQ-CQSZACIVSA-N -1 3 386.473 3.890 20 0 GHADHM CCOc1cccc2c1OCC(C(=O)Nc1ccc(Br)cc1[O-])=C2 ZINC000615840945 878184886 /nfs/dbraw/zinc/18/48/86/878184886.db2.gz FRGRJBFZZRWCQQ-UHFFFAOYSA-N -1 3 390.233 3.968 20 0 GHADHM O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1c([O-])cccc1O ZINC000537719994 878191125 /nfs/dbraw/zinc/19/11/25/878191125.db2.gz LKNUOADLIHWAEU-UHFFFAOYSA-N -1 3 377.422 3.633 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1(O)CCSCC1 ZINC000179935948 878224949 /nfs/dbraw/zinc/22/49/49/878224949.db2.gz CVGJRFKSTHSFMF-UHFFFAOYSA-N -1 3 386.498 3.866 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1cccc2ncccc21 ZINC000110590512 878293029 /nfs/dbraw/zinc/29/30/29/878293029.db2.gz YIKVHQZKBRYUIQ-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM O=c1nc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000451699116 878321054 /nfs/dbraw/zinc/32/10/54/878321054.db2.gz UEBDVUNZWUOLIN-MGPQQGTHSA-N -1 3 385.489 3.640 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000451728839 878364274 /nfs/dbraw/zinc/36/42/74/878364274.db2.gz HXDGRWNXOLKFNM-NSHDSACASA-N -1 3 399.843 3.822 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c([O-])c1 ZINC000537828106 878393601 /nfs/dbraw/zinc/39/36/01/878393601.db2.gz UQKUPWVSZDMCCM-UHFFFAOYSA-N -1 3 385.807 3.660 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000537867067 878419698 /nfs/dbraw/zinc/41/96/98/878419698.db2.gz GDMURVXBPDAHIA-DNVCBOLYSA-N -1 3 389.448 3.936 20 0 GHADHM CCc1ncc(C(=O)[N-]c2nc(Sc3ccc(OC)cc3)ns2)s1 ZINC000530755264 878426470 /nfs/dbraw/zinc/42/64/70/878426470.db2.gz IUEBHWOLFPKXCP-UHFFFAOYSA-N -1 3 378.504 3.969 20 0 GHADHM CCc1cc2c(CN3C[C@@H](C)O[C@H](CC(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000852740440 878569757 /nfs/dbraw/zinc/56/97/57/878569757.db2.gz BOQDEDGLKOTCCR-BXUZGUMPSA-N -1 3 385.382 3.603 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2CCCC2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000460825228 878627710 /nfs/dbraw/zinc/62/77/10/878627710.db2.gz SSABIADZASUNSB-UHFFFAOYSA-N -1 3 377.437 3.883 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(I)ccc2[O-])c1C ZINC000616406503 878810783 /nfs/dbraw/zinc/81/07/83/878810783.db2.gz PJQGGEXCKUFRSA-SECBINFHSA-N -1 3 399.232 3.725 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000538121435 878846622 /nfs/dbraw/zinc/84/66/22/878846622.db2.gz NJXLLMIIDGZFKP-NVXWUHKLSA-N -1 3 387.835 3.735 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccc2OC)s1 ZINC000460962217 878920243 /nfs/dbraw/zinc/92/02/43/878920243.db2.gz XEPPNDAGXPSBEM-IBGZPJMESA-N -1 3 388.514 3.782 20 0 GHADHM COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Br)cc1[O-])CO2 ZINC000531027662 878989838 /nfs/dbraw/zinc/98/98/38/878989838.db2.gz HIZLPAGNTAHTFM-UHFFFAOYSA-N -1 3 376.206 3.578 20 0 GHADHM C[C@@]1(F)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000452201190 879126666 /nfs/dbraw/zinc/12/66/66/879126666.db2.gz ZMUQJTHIVOMDTB-DENIHFKCSA-N -1 3 384.451 3.604 20 0 GHADHM COC(=O)C[C@@](C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(F)c1 ZINC000789716815 879224177 /nfs/dbraw/zinc/22/41/77/879224177.db2.gz NMXDWWKDUCKNCH-GOSISDBHSA-N -1 3 383.341 3.651 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1=CCCCC1 ZINC000452287662 879260755 /nfs/dbraw/zinc/26/07/55/879260755.db2.gz ARHFLMDEWIRIMM-OAQYLSRUSA-N -1 3 378.472 3.870 20 0 GHADHM CC(=O)c1c(C)oc2ncnc(NCc3ccc([O-])c(Br)c3)c21 ZINC000178909256 879277890 /nfs/dbraw/zinc/27/78/90/879277890.db2.gz MRLPNWAIACEHIS-UHFFFAOYSA-N -1 3 376.210 3.814 20 0 GHADHM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000448452719 879288220 /nfs/dbraw/zinc/28/82/20/879288220.db2.gz QQPISFBUZUHSPU-XMSQKQJNSA-N -1 3 376.456 3.957 20 0 GHADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000448452717 879288538 /nfs/dbraw/zinc/28/85/38/879288538.db2.gz QQPISFBUZUHSPU-GCJKJVERSA-N -1 3 376.456 3.957 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1)c1cccc(Cl)c1Br ZINC000493503749 879476287 /nfs/dbraw/zinc/47/62/87/879476287.db2.gz OMSDVFZTSQSDOV-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CCC1)c1cc2nc(Cl)ncc2s1 ZINC001212297235 879747333 /nfs/dbraw/zinc/74/73/33/879747333.db2.gz UPBIIXLEALIKES-UHFFFAOYSA-N -1 3 397.884 3.842 20 0 GHADHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746923291 879828482 /nfs/dbraw/zinc/82/84/82/879828482.db2.gz MZRSZYQTNMTDJO-GFCCVEGCSA-N -1 3 390.402 3.756 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Oc4ccncc4)c3)nc21 ZINC000494115744 879913611 /nfs/dbraw/zinc/91/36/11/879913611.db2.gz NJVMHBQGLYAKEX-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OCC(C)C)c(OC)c3)nc21 ZINC000494102925 879923460 /nfs/dbraw/zinc/92/34/60/879923460.db2.gz DVCCDCPULJXJTI-UHFFFAOYSA-N -1 3 397.431 3.645 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000854581706 879923569 /nfs/dbraw/zinc/92/35/69/879923569.db2.gz VMCBANNWWXVEJL-UHFFFAOYSA-N -1 3 382.420 3.797 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nnn1-c1ccc(C)cc1 ZINC000112595578 880025211 /nfs/dbraw/zinc/02/52/11/880025211.db2.gz XIDVMJGYLXHOHU-UHFFFAOYSA-N -1 3 394.435 3.794 20 0 GHADHM COc1cc(C(=O)N2CCC(c3ccnc4ccccc43)CC2)cc(OC)c1[O-] ZINC000854757251 880045275 /nfs/dbraw/zinc/04/52/75/880045275.db2.gz GLIZNVIWNUUGOP-UHFFFAOYSA-N -1 3 392.455 3.977 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2nc(Cl)cs2)c(Br)cc1F ZINC000790926726 880067700 /nfs/dbraw/zinc/06/77/00/880067700.db2.gz PQJSGAMLFBVKGW-UHFFFAOYSA-N -1 3 393.621 3.737 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183911432 880180737 /nfs/dbraw/zinc/18/07/37/880180737.db2.gz ISRFXHZEZVHJHN-MRXNPFEDSA-N -1 3 380.410 3.696 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000855042630 880239179 /nfs/dbraw/zinc/23/91/79/880239179.db2.gz RMKVDQUUPFMTQQ-GJZGRUSLSA-N -1 3 380.872 3.611 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000855123969 880285027 /nfs/dbraw/zinc/28/50/27/880285027.db2.gz YVIYZHVMMHTHSZ-JOCHJYFZSA-N -1 3 391.467 3.806 20 0 GHADHM Cc1cccc(NC(=O)N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)c1 ZINC000791345927 880343932 /nfs/dbraw/zinc/34/39/32/880343932.db2.gz RHHBRTPWBXENBB-UHFFFAOYSA-N -1 3 395.484 3.905 20 0 GHADHM COCC[S@@](=O)Cc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791363383 880373032 /nfs/dbraw/zinc/37/30/32/880373032.db2.gz DTWJPBDJNRNSBD-AREMUKBSSA-N -1 3 389.498 3.754 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCC(=O)c3ccc(C)cc3)nc21 ZINC000184747508 880373485 /nfs/dbraw/zinc/37/34/85/880373485.db2.gz XKMBMLOYOBAMNH-UHFFFAOYSA-N -1 3 379.416 3.650 20 0 GHADHM O=C([N-]c1csc(-c2ccccn2)n1)c1nc(Br)ccc1F ZINC000791699433 880630793 /nfs/dbraw/zinc/63/07/93/880630793.db2.gz QXAGONJGZCQDJJ-UHFFFAOYSA-N -1 3 379.214 3.754 20 0 GHADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000185976847 880746187 /nfs/dbraw/zinc/74/61/87/880746187.db2.gz SYHUVCIFJIVWPB-ZJUUUORDSA-N -1 3 388.695 3.754 20 0 GHADHM CCc1ccc(C(C)(C)C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)cc1 ZINC001183507245 912604565 /nfs/dbraw/zinc/60/45/65/912604565.db2.gz FWMYCIFYDZZXLP-KRWDZBQOSA-N -1 3 388.508 3.569 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186325958 880855927 /nfs/dbraw/zinc/85/59/27/880855927.db2.gz CDBUXTRAAHKMDD-CQSZACIVSA-N -1 3 389.455 3.918 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(Br)c1F ZINC000856153093 880993947 /nfs/dbraw/zinc/99/39/47/880993947.db2.gz MFAHAHNPGOAOBF-UHFFFAOYSA-N -1 3 386.196 3.907 20 0 GHADHM O=C([N-]c1cccn(Cc2ccccc2)c1=O)c1c(F)c(F)cc(F)c1F ZINC000532031423 881004376 /nfs/dbraw/zinc/00/43/76/881004376.db2.gz DUSCCVRNBGHLRP-UHFFFAOYSA-N -1 3 376.309 3.705 20 0 GHADHM Cc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(Br)n1 ZINC000792484257 881139050 /nfs/dbraw/zinc/13/90/50/881139050.db2.gz ADEKMOJLDAFWQQ-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(Br)n1 ZINC000792484257 881139052 /nfs/dbraw/zinc/13/90/52/881139052.db2.gz ADEKMOJLDAFWQQ-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc(OC)c1[O-] ZINC000119817683 881168347 /nfs/dbraw/zinc/16/83/47/881168347.db2.gz PSELCUKFZSZCLP-NSHDSACASA-N -1 3 394.265 3.533 20 0 GHADHM CCCCc1nc(NC(=O)C=Cc2ccc(Cl)nc2)c(C(=O)OCC)[n-]1 ZINC000792553185 881184023 /nfs/dbraw/zinc/18/40/23/881184023.db2.gz HSSJGAODWHNRRZ-NTMALXAHSA-N -1 3 376.844 3.629 20 0 GHADHM CC(C)(NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(F)c1 ZINC000640292918 881299177 /nfs/dbraw/zinc/29/91/77/881299177.db2.gz PMQWYKZIWYACSI-UHFFFAOYSA-N -1 3 378.757 3.717 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000792603818 881321483 /nfs/dbraw/zinc/32/14/83/881321483.db2.gz YQPBHGKEZATWEG-FQEVSTJZSA-N -1 3 399.462 3.979 20 0 GHADHM COc1ccc(-c2nnc([N-]C(=O)c3cc(C)nc(C(F)(F)F)n3)s2)cc1 ZINC000188883435 881326218 /nfs/dbraw/zinc/32/62/18/881326218.db2.gz XKOAFHDRMAOEBN-UHFFFAOYSA-N -1 3 395.366 3.583 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000476915394 883371509 /nfs/dbraw/zinc/37/15/09/883371509.db2.gz LEOSLSVDUOEEDJ-UHFFFAOYSA-N -1 3 397.378 3.819 20 0 GHADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000774659451 912705109 /nfs/dbraw/zinc/70/51/09/912705109.db2.gz VQPRYTMGZIMGBC-TVQRCGJNSA-N -1 3 382.309 3.562 20 0 GHADHM C[C@H](c1ccco1)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000542498399 883475917 /nfs/dbraw/zinc/47/59/17/883475917.db2.gz IAKYYXOLRGTXQJ-SNVBAGLBSA-N -1 3 380.322 3.853 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000476975644 883513540 /nfs/dbraw/zinc/51/35/40/883513540.db2.gz ZLXARAPREKPPOJ-UHFFFAOYSA-N -1 3 383.492 3.532 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805006949 883549340 /nfs/dbraw/zinc/54/93/40/883549340.db2.gz AFSWHOCAHLRXJP-OTYXRUKQSA-N -1 3 393.267 3.582 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccco1 ZINC000185975052 883612362 /nfs/dbraw/zinc/61/23/62/883612362.db2.gz HPMRIRGMQIIRPP-FQEVSTJZSA-N -1 3 398.440 3.638 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000609769401 883626380 /nfs/dbraw/zinc/62/63/80/883626380.db2.gz QETAJUZSADNZQJ-WDEREUQCSA-N -1 3 382.320 3.541 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3)c2)cc1F ZINC000475775636 883637950 /nfs/dbraw/zinc/63/79/50/883637950.db2.gz ULLBBGBHQREOBG-AWEZNQCLSA-N -1 3 380.460 3.913 20 0 GHADHM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)ccc2o1 ZINC000609761074 883648969 /nfs/dbraw/zinc/64/89/69/883648969.db2.gz YQFZKKFKJNVOKV-UHFFFAOYSA-N -1 3 389.429 3.646 20 0 GHADHM CCc1csc(-n2cc(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)cn2)n1 ZINC000477093601 883704118 /nfs/dbraw/zinc/70/41/18/883704118.db2.gz DSEGRJSGPVVRHS-UHFFFAOYSA-N -1 3 392.488 3.572 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H](O)Cc1c(F)cccc1Cl ZINC000477101940 883715054 /nfs/dbraw/zinc/71/50/54/883715054.db2.gz PLCMHSDJQBELCQ-CQSZACIVSA-N -1 3 377.721 3.746 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(C)C ZINC000859349407 883765358 /nfs/dbraw/zinc/76/53/58/883765358.db2.gz ZNMDIXSNHJUDLY-INIZCTEOSA-N -1 3 396.896 3.506 20 0 GHADHM CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000859786148 884060957 /nfs/dbraw/zinc/06/09/57/884060957.db2.gz YFDNKPLHYYPMQT-MRXNPFEDSA-N -1 3 384.476 3.629 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000859792754 884067064 /nfs/dbraw/zinc/06/70/64/884067064.db2.gz FXXUUAMRIOMCTH-MORSLUCNSA-N -1 3 382.803 3.725 20 0 GHADHM Cc1nc(C)c(CC(=O)NCc2ccccc2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000102650963 884081748 /nfs/dbraw/zinc/08/17/48/884081748.db2.gz UWUGVJNBDVRWQJ-UHFFFAOYSA-N -1 3 381.863 3.566 20 0 GHADHM O=C(CN1CCC(c2c[nH]c3ccc(F)cc32)CC1)[N-]OCc1ccccc1 ZINC000805838384 884110434 /nfs/dbraw/zinc/11/04/34/884110434.db2.gz SUPVZWQANVWNHL-UHFFFAOYSA-N -1 3 381.451 3.734 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3Cc4ccccc4S3)nc(=O)c2c1C ZINC000012994130 884164093 /nfs/dbraw/zinc/16/40/93/884164093.db2.gz HUCZZQHPZGJWIB-HZMBPMFUSA-N -1 3 386.498 3.923 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F ZINC000130142437 884224507 /nfs/dbraw/zinc/22/45/07/884224507.db2.gz HJNOOHMWMBKDHU-UHFFFAOYSA-N -1 3 390.358 3.858 20 0 GHADHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cc(Cl)ccc1[O-] ZINC000057289372 884386538 /nfs/dbraw/zinc/38/65/38/884386538.db2.gz VTHSRELBKZCSSA-UHFFFAOYSA-N -1 3 397.656 3.567 20 0 GHADHM COC1CCC(CCNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000542536411 884447090 /nfs/dbraw/zinc/44/70/90/884447090.db2.gz QYWWITXVKZSTKL-UHFFFAOYSA-N -1 3 385.302 3.549 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1Cl ZINC000102823547 884483738 /nfs/dbraw/zinc/48/37/38/884483738.db2.gz GVDPSKNNKBJDHT-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1Cl ZINC000102823547 884483747 /nfs/dbraw/zinc/48/37/47/884483747.db2.gz GVDPSKNNKBJDHT-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccncc2)C1)c1c(Cl)cccc1Cl ZINC000556323204 884499920 /nfs/dbraw/zinc/49/99/20/884499920.db2.gz PEFSIDYSXSMCEC-SWLSCSKDSA-N -1 3 387.288 3.587 20 0 GHADHM COCc1ccc([C@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)o1 ZINC000897964976 884530417 /nfs/dbraw/zinc/53/04/17/884530417.db2.gz LTIISQPGEVBJJR-QGZVFWFLSA-N -1 3 388.370 3.523 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1F ZINC000914713858 884590443 /nfs/dbraw/zinc/59/04/43/884590443.db2.gz VGUDEDVSJGFMFK-LBPRGKRZSA-N -1 3 398.887 3.657 20 0 GHADHM CCCCOc1cccc(CNC(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000918939691 884626273 /nfs/dbraw/zinc/62/62/73/884626273.db2.gz KLIPBRVOVILQTA-UHFFFAOYSA-N -1 3 386.473 3.882 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216343 884636248 /nfs/dbraw/zinc/63/62/48/884636248.db2.gz QGRJQDREXSGBCZ-NUBYWOLOSA-N -1 3 385.773 3.731 20 0 GHADHM CC[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(C)cc1 ZINC000130457428 884665906 /nfs/dbraw/zinc/66/59/06/884665906.db2.gz VHARYWPKHZHULV-SFHVURJKSA-N -1 3 380.488 3.569 20 0 GHADHM O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222233 884675859 /nfs/dbraw/zinc/67/58/59/884675859.db2.gz SLWFVOZWNSQSEK-LJQANCHMSA-N -1 3 375.472 3.533 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)COc2ccc(Cl)cc2C2CCCCC2)n1 ZINC000898265916 884685093 /nfs/dbraw/zinc/68/50/93/884685093.db2.gz RTUBRNRDEJXVLE-UHFFFAOYSA-N -1 3 389.883 3.887 20 0 GHADHM CCCOc1cccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000919047634 884805203 /nfs/dbraw/zinc/80/52/03/884805203.db2.gz ZBPYAKAUNQHEOF-UHFFFAOYSA-N -1 3 385.247 3.584 20 0 GHADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000806632275 884886008 /nfs/dbraw/zinc/88/60/08/884886008.db2.gz HBRYVCYILQQJPR-UHFFFAOYSA-N -1 3 396.417 3.834 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000761886846 884923464 /nfs/dbraw/zinc/92/34/64/884923464.db2.gz TZGSGFJRJQBIOU-UHFFFAOYSA-N -1 3 388.228 3.726 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000653611218 884942114 /nfs/dbraw/zinc/94/21/14/884942114.db2.gz OMVOKIKCSTYDAX-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000653611218 884942135 /nfs/dbraw/zinc/94/21/35/884942135.db2.gz OMVOKIKCSTYDAX-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000860805737 885016753 /nfs/dbraw/zinc/01/67/53/885016753.db2.gz WWZIDOQYDZUGEW-HYVNUMGLSA-N -1 3 376.225 3.722 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cccc(Cl)c1F ZINC000106446607 885054597 /nfs/dbraw/zinc/05/45/97/885054597.db2.gz CJNHRJGIIYAJHM-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000125299889 885075560 /nfs/dbraw/zinc/07/55/60/885075560.db2.gz KRHHXGLSNQEKMG-NSHDSACASA-N -1 3 399.843 3.741 20 0 GHADHM COc1cc([C@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(C)C ZINC000914877027 885096905 /nfs/dbraw/zinc/09/69/05/885096905.db2.gz NDIOBKHGRFELMD-CCRNYGKSSA-N -1 3 394.471 3.692 20 0 GHADHM COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1F ZINC000914890927 885116005 /nfs/dbraw/zinc/11/60/05/885116005.db2.gz DPDYWTIFIXSLKB-LLVKDONJSA-N -1 3 390.436 3.581 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000914891608 885117511 /nfs/dbraw/zinc/11/75/11/885117511.db2.gz NGMKBEXPWOUVRJ-SFHVURJKSA-N -1 3 382.485 3.996 20 0 GHADHM Cc1cc(Br)cc(C)c1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747370861 885214833 /nfs/dbraw/zinc/21/48/33/885214833.db2.gz KUGNATLSZJFZFJ-UHFFFAOYSA-N -1 3 392.297 3.923 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)ccc1F ZINC001130837263 885228170 /nfs/dbraw/zinc/22/81/70/885228170.db2.gz ZDPVQYQEFYKTAH-QGZVFWFLSA-N -1 3 396.528 3.555 20 0 GHADHM CSc1ccc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000914939627 885245501 /nfs/dbraw/zinc/24/55/01/885245501.db2.gz JGNUUZRDSSOBIZ-UHFFFAOYSA-N -1 3 397.493 3.591 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(Cl)c1 ZINC000476375911 885406154 /nfs/dbraw/zinc/40/61/54/885406154.db2.gz JPSSSRDIZZKDKX-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM CCCN(CC)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000302984857 885411299 /nfs/dbraw/zinc/41/12/99/885411299.db2.gz LFJMRNFPTHIUHK-UHFFFAOYSA-N -1 3 375.494 3.547 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)no1 ZINC000108251036 885618941 /nfs/dbraw/zinc/61/89/41/885618941.db2.gz XGDIDBLOBHGLKD-UHFFFAOYSA-N -1 3 393.852 3.720 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2)no1 ZINC000108251164 885619073 /nfs/dbraw/zinc/61/90/73/885619073.db2.gz JTGATVMDOJGJNI-UHFFFAOYSA-N -1 3 393.852 3.720 20 0 GHADHM CCC1(CC)[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@H]1OC ZINC000532467827 885623898 /nfs/dbraw/zinc/62/38/98/885623898.db2.gz HJSTWJLWBBVYSJ-QZTJIDSGSA-N -1 3 384.480 3.873 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2ccccc2[O-])ccc1OCc1ccncc1 ZINC000046672020 885772977 /nfs/dbraw/zinc/77/29/77/885772977.db2.gz XSCUXBUWVUBASX-OAHLLOKOSA-N -1 3 378.428 3.866 20 0 GHADHM Cc1cc2nc(C)cc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)n2n1 ZINC000919532886 885862414 /nfs/dbraw/zinc/86/24/14/885862414.db2.gz ZLIBMVXUZPEQFN-LLVKDONJSA-N -1 3 397.460 3.591 20 0 GHADHM O=C1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc21 ZINC000498858094 885924668 /nfs/dbraw/zinc/92/46/68/885924668.db2.gz UHRNIRLFSCEYPZ-ZDUSSCGKSA-N -1 3 389.782 3.965 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000861857762 885932814 /nfs/dbraw/zinc/93/28/14/885932814.db2.gz DWEZKXSAMRNCFK-DLBZAZTESA-N -1 3 382.254 3.524 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000808012170 885935043 /nfs/dbraw/zinc/93/50/43/885935043.db2.gz GKHCVDUZCAOIBZ-UHFFFAOYSA-N -1 3 397.296 3.779 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc(C)c1F ZINC000460442938 886074306 /nfs/dbraw/zinc/07/43/06/886074306.db2.gz HWRNXYODTQQALA-KRWDZBQOSA-N -1 3 379.453 3.801 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1C ZINC000055615379 886093170 /nfs/dbraw/zinc/09/31/70/886093170.db2.gz WOTBRUBEJZWNMJ-UHFFFAOYSA-N -1 3 388.367 3.653 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000118635884 886231921 /nfs/dbraw/zinc/23/19/21/886231921.db2.gz JKSUSSJWYBVTOB-UHFFFAOYSA-N -1 3 395.433 3.715 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 ZINC000808353702 886297552 /nfs/dbraw/zinc/29/75/52/886297552.db2.gz GCBBDBVGUIPPJT-LLVKDONJSA-N -1 3 395.695 3.708 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1Cl ZINC000762540239 886356617 /nfs/dbraw/zinc/35/66/17/886356617.db2.gz RDOCXLGAUKMIDX-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SC2CCCC2)co1 ZINC000119074086 886412835 /nfs/dbraw/zinc/41/28/35/886412835.db2.gz PXNUAJFVXZXJLV-UHFFFAOYSA-N -1 3 394.518 3.817 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000057019365 886482902 /nfs/dbraw/zinc/48/29/02/886482902.db2.gz OIHALXOFNJMQDE-UHFFFAOYSA-N -1 3 378.400 3.638 20 0 GHADHM COc1cc(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc(OC)c1[O-] ZINC000762598549 886498944 /nfs/dbraw/zinc/49/89/44/886498944.db2.gz QFNGIARCKTUAOR-UHFFFAOYSA-N -1 3 399.424 3.942 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc(OC)c1[O-] ZINC000762621671 886554601 /nfs/dbraw/zinc/55/46/01/886554601.db2.gz IYMYGXJJJMIIIP-CVEARBPZSA-N -1 3 389.448 3.511 20 0 GHADHM COC(=O)c1cnc(C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)s1 ZINC000862727923 886568627 /nfs/dbraw/zinc/56/86/27/886568627.db2.gz JTMHMGUDIQXBBC-UHFFFAOYSA-N -1 3 396.468 3.808 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1c(C)noc1C ZINC000119356107 886571099 /nfs/dbraw/zinc/57/10/99/886571099.db2.gz WUOIKSKQYKUEML-LBPRGKRZSA-N -1 3 391.262 3.623 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000119303749 886893762 /nfs/dbraw/zinc/89/37/62/886893762.db2.gz IRMGLCVGOSUPQM-LKFCYVNXSA-N -1 3 378.252 3.533 20 0 GHADHM O=c1[n-]c(SCC2(Br)CC2)nc2c1cnn2-c1ccccc1 ZINC000863214039 886925853 /nfs/dbraw/zinc/92/58/53/886925853.db2.gz MKCUSVGBNKNLQT-UHFFFAOYSA-N -1 3 377.267 3.541 20 0 GHADHM O=c1[n-]c(CN(CCc2ccccc2)[C@@H]2CCOC2)nc2c3ccccc3oc21 ZINC000532650497 886940698 /nfs/dbraw/zinc/94/06/98/886940698.db2.gz LCWDDLSMZPOABN-QGZVFWFLSA-N -1 3 389.455 3.915 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1ccc(C(F)(F)F)nc1Cl ZINC000863265446 886979617 /nfs/dbraw/zinc/97/96/17/886979617.db2.gz QOMVURDTQQPHPG-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863470852 887136259 /nfs/dbraw/zinc/13/62/59/887136259.db2.gz PGKORDPWNZDSMO-UHFFFAOYSA-N -1 3 385.399 3.721 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000129526978 887317869 /nfs/dbraw/zinc/31/78/69/887317869.db2.gz BYQKGVCVZOSGJR-JTQLQIEISA-N -1 3 383.206 3.830 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000129668367 887335344 /nfs/dbraw/zinc/33/53/44/887335344.db2.gz ZVLRMALDBIKNGH-CYBMUJFWSA-N -1 3 376.815 3.676 20 0 GHADHM CC(C)c1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000809391257 887365116 /nfs/dbraw/zinc/36/51/16/887365116.db2.gz RKSGNPZFBATSIX-UHFFFAOYSA-N -1 3 390.480 3.666 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000130233385 887405247 /nfs/dbraw/zinc/40/52/47/887405247.db2.gz BMXYNFHJZNAYSD-AWEZNQCLSA-N -1 3 395.484 3.873 20 0 GHADHM CC1CCN(C(=O)C2CCN(Cc3cccc([O-])c3Br)CC2)CC1 ZINC000459333699 887450227 /nfs/dbraw/zinc/45/02/27/887450227.db2.gz ZXJYZDHSNHDWGB-UHFFFAOYSA-N -1 3 395.341 3.625 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1OC ZINC000794609920 887678048 /nfs/dbraw/zinc/67/80/48/887678048.db2.gz WAQAKHRPYBQWBE-MDZDMXLPSA-N -1 3 381.837 3.548 20 0 GHADHM O=S(=O)([N-]Cc1coc2ccccc12)c1cc(Br)ccc1F ZINC001211948103 887725063 /nfs/dbraw/zinc/72/50/63/887725063.db2.gz COLCWBNNIKQADI-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c([O-])c1 ZINC000054033474 887823041 /nfs/dbraw/zinc/82/30/41/887823041.db2.gz MFDPOFWBSYRMBK-UHFFFAOYSA-N -1 3 398.478 3.823 20 0 GHADHM COc1ccc(C[C@H](CNCc2nc(C(C)(C)C)cs2)C(=O)[O-])cc1F ZINC000864531566 887834943 /nfs/dbraw/zinc/83/49/43/887834943.db2.gz GZIHAROLSWGCHV-CYBMUJFWSA-N -1 3 380.485 3.621 20 0 GHADHM COc1ccc(C[C@H](CNCc2c(F)cc(C)cc2Cl)C(=O)[O-])cc1F ZINC000864532241 887837738 /nfs/dbraw/zinc/83/77/38/887837738.db2.gz PKGJKOLOVDVAHT-CYBMUJFWSA-N -1 3 383.822 3.968 20 0 GHADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1c[n-]c2ccccc2c1=O ZINC000054079278 887850030 /nfs/dbraw/zinc/85/00/30/887850030.db2.gz HSRWAXDCRKCUDJ-UHFFFAOYSA-N -1 3 379.416 3.967 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000864571382 887865182 /nfs/dbraw/zinc/86/51/82/887865182.db2.gz BRCLRRBPKMXJOV-GFCCVEGCSA-N -1 3 387.358 3.719 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1 ZINC000614840354 887921359 /nfs/dbraw/zinc/92/13/59/887921359.db2.gz CFILEEQUVZWATK-UHFFFAOYSA-N -1 3 393.505 3.748 20 0 GHADHM COc1ccc(NCc2cscc2C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000810149017 888235351 /nfs/dbraw/zinc/23/53/51/888235351.db2.gz VHGLATRYKFDAAW-UHFFFAOYSA-N -1 3 380.413 3.759 20 0 GHADHM CCOC(=O)C(=Cc1cn(C2CC2)cn1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000865218953 888252623 /nfs/dbraw/zinc/25/26/23/888252623.db2.gz VYAVBPBKOPYHAY-AUWJEWJLSA-N -1 3 384.461 3.649 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000763210464 888303449 /nfs/dbraw/zinc/30/34/49/888303449.db2.gz ZRKYNBLRKMPFPP-SNVBAGLBSA-N -1 3 386.304 3.908 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 ZINC000614857129 888309124 /nfs/dbraw/zinc/30/91/24/888309124.db2.gz ASOQCMPJZHBZJY-UHFFFAOYSA-N -1 3 389.452 3.828 20 0 GHADHM O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000810274755 888372310 /nfs/dbraw/zinc/37/23/10/888372310.db2.gz YJWBYGDIAIKFBY-HNNXBMFYSA-N -1 3 394.176 3.879 20 0 GHADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc(C3CCCCCC3)cs2)o1 ZINC001132181043 888374716 /nfs/dbraw/zinc/37/47/16/888374716.db2.gz DDCQKMTYRIOBMS-UHFFFAOYSA-N -1 3 397.522 3.677 20 0 GHADHM COc1cccc([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2(C)C)c1 ZINC000915961406 888600680 /nfs/dbraw/zinc/60/06/80/888600680.db2.gz QDPIBEVIQYFFOD-GOSISDBHSA-N -1 3 376.456 3.945 20 0 GHADHM CCCCCC(C)(C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132322948 888637994 /nfs/dbraw/zinc/63/79/94/888637994.db2.gz HJKHAFFWRJFNJP-UHFFFAOYSA-N -1 3 375.560 3.765 20 0 GHADHM CCC1(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCCC1 ZINC000454315252 888827900 /nfs/dbraw/zinc/82/79/00/888827900.db2.gz HTNHAFHKBUPJPN-UHFFFAOYSA-N -1 3 383.514 3.691 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000121037950 888846055 /nfs/dbraw/zinc/84/60/55/888846055.db2.gz DVKGQIMSPQZSJY-UHFFFAOYSA-N -1 3 399.900 3.528 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000866596977 888958917 /nfs/dbraw/zinc/95/89/17/888958917.db2.gz MFQZDKCZZJADJR-CAPXZKIUSA-N -1 3 376.884 3.515 20 0 GHADHM CC(C)[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(C(F)(F)F)c1 ZINC000866627502 888978442 /nfs/dbraw/zinc/97/84/42/888978442.db2.gz BQYUMMPTMDUILC-KRWDZBQOSA-N -1 3 381.398 3.761 20 0 GHADHM O=c1[n-]c(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)nc2c1COCC2 ZINC000866628784 888981525 /nfs/dbraw/zinc/98/15/25/888981525.db2.gz RJBUEFDXLDERAY-INIZCTEOSA-N -1 3 394.500 3.546 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Oc2ccccc2)cc1 ZINC000866628881 888981685 /nfs/dbraw/zinc/98/16/85/888981685.db2.gz SXCYUTSMOWKTAJ-OAHLLOKOSA-N -1 3 377.444 3.898 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Br)c(Cl)c1 ZINC000866630933 888984300 /nfs/dbraw/zinc/98/43/00/888984300.db2.gz ZMDUVSPOWAIMGQ-VIFPVBQESA-N -1 3 398.688 3.522 20 0 GHADHM O=C([N-]CC1CN(C(=O)N(c2ccccc2)c2ccccc2)C1)C(F)(F)F ZINC000867902828 889213857 /nfs/dbraw/zinc/21/38/57/889213857.db2.gz RBMZFEJZKYJBNT-UHFFFAOYSA-N -1 3 377.366 3.555 20 0 GHADHM COc1ccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c(OC)c1 ZINC000811393297 889531679 /nfs/dbraw/zinc/53/16/79/889531679.db2.gz CVYVDVKDPKKBLA-UHFFFAOYSA-N -1 3 379.821 3.940 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000811393814 889534767 /nfs/dbraw/zinc/53/47/67/889534767.db2.gz FCIKNLVIAXTQFD-SECBINFHSA-N -1 3 394.802 3.841 20 0 GHADHM O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000811526776 889681736 /nfs/dbraw/zinc/68/17/36/889681736.db2.gz LTZOIZUUFRCYOG-AWEZNQCLSA-N -1 3 380.872 3.709 20 0 GHADHM CCOc1c(Cl)cccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811515392 889709956 /nfs/dbraw/zinc/70/99/56/889709956.db2.gz ZRAFKPFQOKSNGW-GFCCVEGCSA-N -1 3 378.822 3.629 20 0 GHADHM CCOc1c(Cl)cccc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811515394 889710357 /nfs/dbraw/zinc/71/03/57/889710357.db2.gz ZRAFKPFQOKSNGW-LBPRGKRZSA-N -1 3 378.822 3.629 20 0 GHADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1c[n-]c2ccccc2c1=O ZINC000125092597 889871835 /nfs/dbraw/zinc/87/18/35/889871835.db2.gz GCMCXQMGVXDQGS-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@H]1COc2ccccc21 ZINC000533178488 889914982 /nfs/dbraw/zinc/91/49/82/889914982.db2.gz NGAUEBVCRPXIPP-BLLLJJGKSA-N -1 3 375.421 3.723 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)c(=O)[n-]1 ZINC000122623222 889970265 /nfs/dbraw/zinc/97/02/65/889970265.db2.gz LBVHDJHAOPVZNX-QGZVFWFLSA-N -1 3 395.484 3.674 20 0 GHADHM Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126147845 890383198 /nfs/dbraw/zinc/38/31/98/890383198.db2.gz AOZRNASZONZGLF-INIZCTEOSA-N -1 3 392.297 3.930 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000126195983 890418924 /nfs/dbraw/zinc/41/89/24/890418924.db2.gz VWLAHSRANOQSKD-HNNXBMFYSA-N -1 3 390.281 3.551 20 0 GHADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000644693990 913458972 /nfs/dbraw/zinc/45/89/72/913458972.db2.gz SYAGCPYMEWXZDG-AWEZNQCLSA-N -1 3 381.259 3.518 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3cc(Br)c(C)nc3[nH]2)n1 ZINC000126631045 890622709 /nfs/dbraw/zinc/62/27/09/890622709.db2.gz IVNPEMOBMLYLTM-MRVPVSSYSA-N -1 3 380.271 3.686 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c(=O)[n-]1 ZINC000126756146 890680998 /nfs/dbraw/zinc/68/09/98/890680998.db2.gz BBRQAKBGNZHHPP-UHFFFAOYSA-N -1 3 383.398 3.903 20 0 GHADHM CCCc1nnc([N-]C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)s1 ZINC000126773799 890702889 /nfs/dbraw/zinc/70/28/89/890702889.db2.gz AGIRDNOKHXXDJU-UHFFFAOYSA-N -1 3 376.873 3.594 20 0 GHADHM C[C@H](CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)n1cccc1 ZINC000871312694 890745475 /nfs/dbraw/zinc/74/54/75/890745475.db2.gz BEWJNJSCBYQNAK-CABCVRRESA-N -1 3 393.409 3.638 20 0 GHADHM CC(C)c1ccc(-c2nc(CS(=O)(=O)c3nc(C4CC4)n[n-]3)cs2)cc1 ZINC000127140887 890914886 /nfs/dbraw/zinc/91/48/86/890914886.db2.gz GGIGLJLHJAJXBW-UHFFFAOYSA-N -1 3 388.518 3.903 20 0 GHADHM CC(C)c1ccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)[n-]3)cs2)cc1 ZINC000127140887 890914897 /nfs/dbraw/zinc/91/48/97/890914897.db2.gz GGIGLJLHJAJXBW-UHFFFAOYSA-N -1 3 388.518 3.903 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(C(C)C)c3C3CC3)cc2)n1 ZINC000127204099 890950625 /nfs/dbraw/zinc/95/06/25/890950625.db2.gz HATDAOOVHRVHJN-UHFFFAOYSA-N -1 3 377.448 3.652 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000533651195 891048683 /nfs/dbraw/zinc/04/86/83/891048683.db2.gz QTSYDICCTRTVPQ-GOSISDBHSA-N -1 3 378.432 3.513 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000533651195 891048695 /nfs/dbraw/zinc/04/86/95/891048695.db2.gz QTSYDICCTRTVPQ-GOSISDBHSA-N -1 3 378.432 3.513 20 0 GHADHM CCOc1cccc(F)c1CNC[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000871874256 891066406 /nfs/dbraw/zinc/06/64/06/891066406.db2.gz JJSNWCHDXHPSFS-GFCCVEGCSA-N -1 3 385.357 3.675 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(C(F)(F)F)c1)C1CC1)c1cccnc1Cl ZINC001184907396 913527323 /nfs/dbraw/zinc/52/73/23/913527323.db2.gz NPHAWHACOKSXQW-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2csc(CCC(C)C)n2)cc1OC ZINC000747835479 891230774 /nfs/dbraw/zinc/23/07/74/891230774.db2.gz GGQDDISXXMCTMB-UHFFFAOYSA-N -1 3 378.494 3.539 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000872457462 891264185 /nfs/dbraw/zinc/26/41/85/891264185.db2.gz APXZIHKVJWXSJH-DLUDVSRJSA-N -1 3 395.550 3.540 20 0 GHADHM O=C([N-]c1noc2nccnc12)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC001184924522 913539414 /nfs/dbraw/zinc/53/94/14/913539414.db2.gz NKZRGQMQPROFPP-UHFFFAOYSA-N -1 3 382.383 3.723 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC000128054822 891390026 /nfs/dbraw/zinc/39/00/26/891390026.db2.gz ILUZUWPZSAYMKB-UHFFFAOYSA-N -1 3 381.617 3.662 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000128187542 891469845 /nfs/dbraw/zinc/46/98/45/891469845.db2.gz CGHDHSLXOBZNGN-ZMZPIMSZSA-N -1 3 376.840 3.510 20 0 GHADHM CCC(CC)(C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000813283553 891469802 /nfs/dbraw/zinc/46/98/02/891469802.db2.gz VQBFZRXZHOMHMP-HNNXBMFYSA-N -1 3 384.442 3.662 20 0 GHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(OC)c(Br)s2)c1 ZINC000128351354 891729687 /nfs/dbraw/zinc/72/96/87/891729687.db2.gz LNIQLYSURPICPR-UHFFFAOYSA-N -1 3 388.214 3.697 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1N1CCSCC1 ZINC000154366084 891835565 /nfs/dbraw/zinc/83/55/65/891835565.db2.gz GWIAKTYGFMESLY-UHFFFAOYSA-N -1 3 379.485 3.642 20 0 GHADHM COc1cc(Br)c(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001133907192 891924985 /nfs/dbraw/zinc/92/49/85/891924985.db2.gz PIUZQNYMYJLCIB-UHFFFAOYSA-N -1 3 399.554 3.500 20 0 GHADHM COc1cc(Br)c(Cl)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001133907192 891924992 /nfs/dbraw/zinc/92/49/92/891924992.db2.gz PIUZQNYMYJLCIB-UHFFFAOYSA-N -1 3 399.554 3.500 20 0 GHADHM Cc1cc(C)cc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1 ZINC001212097985 891969321 /nfs/dbraw/zinc/96/93/21/891969321.db2.gz SKVDBHLIEYADNI-SFHVURJKSA-N -1 3 391.427 3.798 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(C(=O)c1ccc([O-])cc1Cl)C2 ZINC001272108364 892128339 /nfs/dbraw/zinc/12/83/39/892128339.db2.gz GQPZZUWXRYNLCN-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC(F)(F)C1 ZINC000874859133 892356302 /nfs/dbraw/zinc/35/63/02/892356302.db2.gz ZEBWVFBNZOXAKX-UHFFFAOYSA-N -1 3 398.406 3.544 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)ccc1F ZINC000917743622 892490716 /nfs/dbraw/zinc/49/07/16/892490716.db2.gz CSAYJRGHAFYBFN-GOSISDBHSA-N -1 3 396.528 3.697 20 0 GHADHM COCc1ccccc1/C=C(\C)CNc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000814293006 892499130 /nfs/dbraw/zinc/49/91/30/892499130.db2.gz QYCKJCRTPWLUOO-RVDMUPIBSA-N -1 3 390.505 3.729 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000263308973 892517663 /nfs/dbraw/zinc/51/76/63/892517663.db2.gz HSFHKEZWPIUJLV-IMFGXOCKSA-N -1 3 386.536 3.690 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCOCc3ccccc3)nc2)n1 ZINC000068695055 892570593 /nfs/dbraw/zinc/57/05/93/892570593.db2.gz BQXRZFHWEKWUNJ-UHFFFAOYSA-N -1 3 378.476 3.803 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3oc(-c4ccccc4)nc3C)nc21 ZINC000162478791 892583358 /nfs/dbraw/zinc/58/33/58/892583358.db2.gz KPULIKJPWHMLMN-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM COC(=O)c1cccc2nc(NC(=O)c3oc(-c4ccccc4)nc3C)[n-]c21 ZINC000162478791 892583373 /nfs/dbraw/zinc/58/33/73/892583373.db2.gz KPULIKJPWHMLMN-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM Cc1csc([C@@H]2CCN(C(=O)NCc3ccc([O-])c(Br)c3)C2)n1 ZINC000875390285 892586846 /nfs/dbraw/zinc/58/68/46/892586846.db2.gz AAKOOLPVYLAFJC-GFCCVEGCSA-N -1 3 396.310 3.619 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000128990924 892821553 /nfs/dbraw/zinc/82/15/53/892821553.db2.gz GYMJRHKBNWCJKH-UHFFFAOYSA-N -1 3 390.370 3.580 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000162768981 893173758 /nfs/dbraw/zinc/17/37/58/893173758.db2.gz JYKMERJQXXUXHK-AAEUAGOBSA-N -1 3 383.819 3.595 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)c3cccc(OC)c3)nc21 ZINC001134753247 893288531 /nfs/dbraw/zinc/28/85/31/893288531.db2.gz IIMHAPAUUREZCC-ZDUSSCGKSA-N -1 3 381.432 3.881 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C ZINC000918164074 893292845 /nfs/dbraw/zinc/29/28/45/893292845.db2.gz WPULCJSBMYWICK-UHFFFAOYSA-N -1 3 378.469 3.852 20 0 GHADHM CN(CC(F)F)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000747991133 893396917 /nfs/dbraw/zinc/39/69/17/893396917.db2.gz USAJWHHHXWHCLW-UHFFFAOYSA-N -1 3 388.458 3.785 20 0 GHADHM O=c1cc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC000459436206 893495056 /nfs/dbraw/zinc/49/50/56/893495056.db2.gz FMOHBMIVGMIMBN-CQSZACIVSA-N -1 3 387.789 3.555 20 0 GHADHM C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cccc([O-])c3Cl)cc2)C1=O ZINC000815138896 893513070 /nfs/dbraw/zinc/51/30/70/893513070.db2.gz KTONMGCGKRPAJW-OAQYLSRUSA-N -1 3 399.878 3.560 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000825981266 893707361 /nfs/dbraw/zinc/70/73/61/893707361.db2.gz REDSCDZHLQHAMW-GOSISDBHSA-N -1 3 388.439 3.722 20 0 GHADHM COc1ccc(CSc2ncccc2C(=O)Nc2ncccc2[O-])c(OC)c1 ZINC001185324461 913815386 /nfs/dbraw/zinc/81/53/86/913815386.db2.gz MGMMZYGMISYRKM-UHFFFAOYSA-N -1 3 397.456 3.744 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877931733 893900169 /nfs/dbraw/zinc/90/01/69/893900169.db2.gz FTSZJBOKDBFLNG-UHFFFAOYSA-N -1 3 380.448 3.601 20 0 GHADHM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000563560818 893904367 /nfs/dbraw/zinc/90/43/67/893904367.db2.gz MJNRABSYSQNGJI-ZFWWWQNUSA-N -1 3 397.272 3.824 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)Nc3cncc(Br)c3[O-])cc12 ZINC000129756028 893949202 /nfs/dbraw/zinc/94/92/02/893949202.db2.gz VTXIJHVICWDVGP-UHFFFAOYSA-N -1 3 395.282 3.874 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000536880805 894006769 /nfs/dbraw/zinc/00/67/69/894006769.db2.gz DFUIGWFCUOJUEL-SECBINFHSA-N -1 3 389.238 3.637 20 0 GHADHM O=c1[n-]c(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)nc2c1COCC2 ZINC000878389480 894252247 /nfs/dbraw/zinc/25/22/47/894252247.db2.gz JOBVEKPBUDTGIU-UHFFFAOYSA-N -1 3 393.409 3.833 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001135255318 894262673 /nfs/dbraw/zinc/26/26/73/894262673.db2.gz UFFICDNUWUAXLC-UHFFFAOYSA-N -1 3 383.398 3.967 20 0 GHADHM CN1CC[C@@H](NCc2nnc(-c3ccccc3[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000878629753 894466755 /nfs/dbraw/zinc/46/67/55/894466755.db2.gz JTNLWEZYXXHUDW-APWZRJJASA-N -1 3 384.867 3.631 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537183801 894539194 /nfs/dbraw/zinc/53/91/94/894539194.db2.gz QBIPOFMJLAPKQV-MGPLVRAMSA-N -1 3 375.824 3.673 20 0 GHADHM CCOC(=O)CC(C)(C)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000288796529 913880802 /nfs/dbraw/zinc/88/08/02/913880802.db2.gz IHTLXZUFGZKMOW-UHFFFAOYSA-N -1 3 385.464 3.720 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(c3ccc4cccnc4n3)CC2)o1 ZINC000878845873 894663171 /nfs/dbraw/zinc/66/31/71/894663171.db2.gz QCMXBAWFDGXWCP-UHFFFAOYSA-N -1 3 387.443 3.765 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCO1 ZINC000778366651 894673460 /nfs/dbraw/zinc/67/34/60/894673460.db2.gz ZSMOQXQYYVAZMF-NWDGAFQWSA-N -1 3 379.254 3.811 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000537423000 894962475 /nfs/dbraw/zinc/96/24/75/894962475.db2.gz LJWYCIQCSGZVKX-UHFFFAOYSA-N -1 3 383.407 3.655 20 0 GHADHM O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cc([O-])ccc1Cl ZINC000564462322 895011727 /nfs/dbraw/zinc/01/17/27/895011727.db2.gz LFEWQTQGJWRGGR-NSHDSACASA-N -1 3 395.684 3.817 20 0 GHADHM Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000816769164 895044365 /nfs/dbraw/zinc/04/43/65/895044365.db2.gz WQKZRRDHYVWXDS-UHFFFAOYSA-N -1 3 388.880 3.930 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000032086872 895142902 /nfs/dbraw/zinc/14/29/02/895142902.db2.gz CXSRKTBOHWTNGR-UHFFFAOYSA-N -1 3 388.533 3.753 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000826117664 895196166 /nfs/dbraw/zinc/19/61/66/895196166.db2.gz PEBZIKPFWJWSBQ-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000826117664 895196172 /nfs/dbraw/zinc/19/61/72/895196172.db2.gz PEBZIKPFWJWSBQ-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000879645314 895197703 /nfs/dbraw/zinc/19/77/03/895197703.db2.gz NYZWHCGEKZYICK-LJQANCHMSA-N -1 3 393.409 3.785 20 0 GHADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816911507 895198486 /nfs/dbraw/zinc/19/84/86/895198486.db2.gz OQOJICDWPVBDRO-UHFFFAOYSA-N -1 3 399.541 3.960 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000816980008 895236783 /nfs/dbraw/zinc/23/67/83/895236783.db2.gz CLVYIRXIKVFELL-SJORKVTESA-N -1 3 398.503 3.795 20 0 GHADHM Cc1ccc([C@@H](CNc2ncnc3sc(C(=O)[O-])c(C)c32)N2CCCC2)o1 ZINC000565035451 895360595 /nfs/dbraw/zinc/36/05/95/895360595.db2.gz IAHFKDUHQLZHFZ-CYBMUJFWSA-N -1 3 386.477 3.848 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nn(C)c(C)c3Cl)nc(=O)c2c1C ZINC000817260714 895427153 /nfs/dbraw/zinc/42/71/53/895427153.db2.gz KCVXBBWOPPASMJ-QMMMGPOBSA-N -1 3 380.857 3.627 20 0 GHADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc([O-])ccc1Cl ZINC000565154397 895427533 /nfs/dbraw/zinc/42/75/33/895427533.db2.gz IYVWFLZHVOLSEZ-MRXNPFEDSA-N -1 3 375.852 3.876 20 0 GHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645655473 914006019 /nfs/dbraw/zinc/00/60/19/914006019.db2.gz UCJVSOXIKVWELV-ZCFIWIBFSA-N -1 3 385.713 3.858 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1)C(C)C ZINC000645655636 914008359 /nfs/dbraw/zinc/00/83/59/914008359.db2.gz RVQFGYRPTMFGJO-QGZVFWFLSA-N -1 3 394.518 3.647 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000826186089 895914728 /nfs/dbraw/zinc/91/47/28/895914728.db2.gz DODFPLRGULMWIH-CQSZACIVSA-N -1 3 394.479 3.828 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000826186089 895914734 /nfs/dbraw/zinc/91/47/34/895914734.db2.gz DODFPLRGULMWIH-CQSZACIVSA-N -1 3 394.479 3.828 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ocnc2C2CC2)c(C(=O)OCC)c1C ZINC000565974171 896019431 /nfs/dbraw/zinc/01/94/31/896019431.db2.gz WCPMBKGIWRXPJG-UHFFFAOYSA-N -1 3 392.433 3.528 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(Cc2ccccc2)s1 ZINC000566029414 896057133 /nfs/dbraw/zinc/05/71/33/896057133.db2.gz GPBCWQWQUOJDEE-UHFFFAOYSA-N -1 3 386.502 3.732 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1C(F)(F)F)C1CC1)c1ccc(Cl)nc1 ZINC001185704213 914029916 /nfs/dbraw/zinc/02/99/16/914029916.db2.gz LVQQCEXCMSMHAA-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000881438587 896331406 /nfs/dbraw/zinc/33/14/06/896331406.db2.gz DQOZYYJFJKKZAU-UHFFFAOYSA-N -1 3 387.911 3.866 20 0 GHADHM COc1cccc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826213619 896355569 /nfs/dbraw/zinc/35/55/69/896355569.db2.gz DVZPHOIVCJAUDZ-UHFFFAOYSA-N -1 3 394.378 3.869 20 0 GHADHM COc1cccc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826213619 896355586 /nfs/dbraw/zinc/35/55/86/896355586.db2.gz DVZPHOIVCJAUDZ-UHFFFAOYSA-N -1 3 394.378 3.869 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCSC4)n3)n[n-]2)c1 ZINC000566635354 896439613 /nfs/dbraw/zinc/43/96/13/896439613.db2.gz SRJKLVVCYLBHSR-SECBINFHSA-N -1 3 378.255 3.505 20 0 GHADHM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3c([O-])cccc3Cl)cc21 ZINC000566636281 896439769 /nfs/dbraw/zinc/43/97/69/896439769.db2.gz LBJBGMBHYXTTOC-UHFFFAOYSA-N -1 3 376.796 3.805 20 0 GHADHM CSC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228220 896533126 /nfs/dbraw/zinc/53/31/26/896533126.db2.gz ITLDUZCHCFRCQX-KGLIPLIRSA-N -1 3 396.520 3.645 20 0 GHADHM CSC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228220 896533134 /nfs/dbraw/zinc/53/31/34/896533134.db2.gz ITLDUZCHCFRCQX-KGLIPLIRSA-N -1 3 396.520 3.645 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2c(F)cccc2I)c1[O-] ZINC000566764732 896552586 /nfs/dbraw/zinc/55/25/86/896552586.db2.gz OOZDTRZOZYZFNC-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM CSc1ccc(C)c(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000826230103 896572182 /nfs/dbraw/zinc/57/21/82/896572182.db2.gz DOQHRLGUMAAHNH-SFHVURJKSA-N -1 3 397.504 3.939 20 0 GHADHM CSc1ccc(C)c(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000826230103 896572194 /nfs/dbraw/zinc/57/21/94/896572194.db2.gz DOQHRLGUMAAHNH-SFHVURJKSA-N -1 3 397.504 3.939 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2cccc(F)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826238390 896593489 /nfs/dbraw/zinc/59/34/89/896593489.db2.gz FHTMPPJVBHRYOH-QGZVFWFLSA-N -1 3 395.829 3.959 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2cccc(F)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826238390 896593506 /nfs/dbraw/zinc/59/35/06/896593506.db2.gz FHTMPPJVBHRYOH-QGZVFWFLSA-N -1 3 395.829 3.959 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCCOc3c(Cl)cccc32)cccc1-c1nnn[n-]1 ZINC000826241763 896594487 /nfs/dbraw/zinc/59/44/87/896594487.db2.gz NESCYDNBFVGTOA-INIZCTEOSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCCOc3c(Cl)cccc32)cccc1-c1nn[n-]n1 ZINC000826241763 896594494 /nfs/dbraw/zinc/59/44/94/896594494.db2.gz NESCYDNBFVGTOA-INIZCTEOSA-N -1 3 398.854 3.864 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)NCCCSc1ccccc1 ZINC000828629520 896648095 /nfs/dbraw/zinc/64/80/95/896648095.db2.gz QAYHYHGUSCVRCA-UHFFFAOYSA-N -1 3 387.288 3.777 20 0 GHADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c(C)s1 ZINC000826260542 896748888 /nfs/dbraw/zinc/74/88/88/896748888.db2.gz TWPILNPCGOYOBT-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c1 ZINC000882709384 896919108 /nfs/dbraw/zinc/91/91/08/896919108.db2.gz JUOYZGJZEFHLPL-QHCPKHFHSA-N -1 3 392.930 3.630 20 0 GHADHM Cc1ccc(C2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CC2)cn1 ZINC000826286103 896922396 /nfs/dbraw/zinc/92/23/96/896922396.db2.gz SCJWOLMZBZYUDF-UHFFFAOYSA-N -1 3 397.870 3.635 20 0 GHADHM Cc1ccc(C2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CC2)cn1 ZINC000826286103 896922402 /nfs/dbraw/zinc/92/24/02/896922402.db2.gz SCJWOLMZBZYUDF-UHFFFAOYSA-N -1 3 397.870 3.635 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)c(C)c1 ZINC000882725974 896935579 /nfs/dbraw/zinc/93/55/79/896935579.db2.gz GKERQZDHUDUPOO-UHFFFAOYSA-N -1 3 382.507 3.554 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)cc1 ZINC000882726162 896935861 /nfs/dbraw/zinc/93/58/61/896935861.db2.gz LQLVVQIRFWKFMZ-UHFFFAOYSA-N -1 3 382.507 3.635 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)cc1C ZINC000882726137 896936093 /nfs/dbraw/zinc/93/60/93/896936093.db2.gz LDCPAAPPIWDGEE-UHFFFAOYSA-N -1 3 382.507 3.554 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCCc2ccccc2C(F)(F)F)c1 ZINC000820020546 897091338 /nfs/dbraw/zinc/09/13/38/897091338.db2.gz BUVLITKMLDMFPR-AREMUKBSSA-N -1 3 386.391 3.608 20 0 GHADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567462434 897178592 /nfs/dbraw/zinc/17/85/92/897178592.db2.gz UWGYHDQYSLGASU-VOJFVSQTSA-N -1 3 377.282 3.989 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340482 897281497 /nfs/dbraw/zinc/28/14/97/897281497.db2.gz LKDWBVULFFMDNJ-DNVCBOLYSA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340482 897281509 /nfs/dbraw/zinc/28/15/09/897281509.db2.gz LKDWBVULFFMDNJ-DNVCBOLYSA-N -1 3 378.480 3.966 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2o1)c1ccc(Cl)cc1C(F)(F)F ZINC000820716266 897491090 /nfs/dbraw/zinc/49/10/90/897491090.db2.gz FULCLQCMFVBAGV-UHFFFAOYSA-N -1 3 390.770 3.979 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(c4nnc5n4CCCC5)CC3)c2c1 ZINC000567983909 897523217 /nfs/dbraw/zinc/52/32/17/897523217.db2.gz YBZKMGMDSDGRDI-UHFFFAOYSA-N -1 3 391.475 3.553 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000883410748 897569522 /nfs/dbraw/zinc/56/95/22/897569522.db2.gz IMCRZHCCFVIAPH-QGZVFWFLSA-N -1 3 380.488 3.679 20 0 GHADHM CC=C(C=CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)CC ZINC000820833268 897573897 /nfs/dbraw/zinc/57/38/97/897573897.db2.gz VGSAWDDJHMBODF-XKVQTANESA-N -1 3 380.477 3.765 20 0 GHADHM CC=C(C=CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)CC ZINC000820833268 897573912 /nfs/dbraw/zinc/57/39/12/897573912.db2.gz VGSAWDDJHMBODF-XKVQTANESA-N -1 3 380.477 3.765 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(Br)cc1-c1nnn[n-]1)CCC2 ZINC000826327944 897641502 /nfs/dbraw/zinc/64/15/02/897641502.db2.gz AIOKIOSJPUFWPM-ZDUSSCGKSA-N -1 3 391.298 3.884 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(Br)cc1-c1nn[n-]n1)CCC2 ZINC000826327944 897641508 /nfs/dbraw/zinc/64/15/08/897641508.db2.gz AIOKIOSJPUFWPM-ZDUSSCGKSA-N -1 3 391.298 3.884 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(-c2ccccc2)s1 ZINC000826323586 897644446 /nfs/dbraw/zinc/64/44/46/897644446.db2.gz JUEZDYWNZAGGQV-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1nc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(-c2ccccc2)s1 ZINC000826323586 897644457 /nfs/dbraw/zinc/64/44/57/897644457.db2.gz JUEZDYWNZAGGQV-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccc(I)cc1 ZINC000568328811 897744055 /nfs/dbraw/zinc/74/40/55/897744055.db2.gz OWBRHDSCSHZURP-HNNXBMFYSA-N -1 3 380.229 3.729 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1ccc2ccccc2c1 ZINC000132311021 897750965 /nfs/dbraw/zinc/75/09/65/897750965.db2.gz ZUNIQRIQPYPJDK-UHFFFAOYSA-N -1 3 399.244 3.563 20 0 GHADHM CCN(C(=O)/C=C\SCc1ccco1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149330 897763851 /nfs/dbraw/zinc/76/38/51/897763851.db2.gz VOENYTWVOWRAJA-GAJOTYCWSA-N -1 3 383.477 3.816 20 0 GHADHM CCN(C(=O)/C=C\SCc1ccco1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149330 897763865 /nfs/dbraw/zinc/76/38/65/897763865.db2.gz VOENYTWVOWRAJA-GAJOTYCWSA-N -1 3 383.477 3.816 20 0 GHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000821158105 897767750 /nfs/dbraw/zinc/76/77/50/897767750.db2.gz UZULUJXUVRYKHT-GASCZTMLSA-N -1 3 390.480 3.883 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cc(C)cc(C)c1 ZINC000821230524 897795905 /nfs/dbraw/zinc/79/59/05/897795905.db2.gz MNKRSNPRSIRMKI-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cc(C)cc(C)c1 ZINC000821230524 897795909 /nfs/dbraw/zinc/79/59/09/897795909.db2.gz MNKRSNPRSIRMKI-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275483644 914209755 /nfs/dbraw/zinc/20/97/55/914209755.db2.gz POXDGIZHUALLEX-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275483644 914209764 /nfs/dbraw/zinc/20/97/64/914209764.db2.gz POXDGIZHUALLEX-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccccc1CO ZINC001185933233 914212452 /nfs/dbraw/zinc/21/24/52/914212452.db2.gz JUBJSLAPHUDLDQ-UHFFFAOYSA-N -1 3 384.476 3.594 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001136497890 898065795 /nfs/dbraw/zinc/06/57/95/898065795.db2.gz ZRDCOOVFYAHEHX-UHFFFAOYSA-N -1 3 379.464 3.828 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001136497890 898065809 /nfs/dbraw/zinc/06/58/09/898065809.db2.gz ZRDCOOVFYAHEHX-UHFFFAOYSA-N -1 3 379.464 3.828 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000821845640 898092003 /nfs/dbraw/zinc/09/20/03/898092003.db2.gz LCGGTRIQEIZOLR-UHFFFAOYSA-N -1 3 380.510 3.586 20 0 GHADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001136526158 898182308 /nfs/dbraw/zinc/18/23/08/898182308.db2.gz KREXERALZFHDSN-UHFFFAOYSA-N -1 3 385.164 3.644 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3cc(-c4nnn[n-]4)cs3)n2)c1 ZINC000826369245 898199770 /nfs/dbraw/zinc/19/97/70/898199770.db2.gz TYJCRIAAROKGNI-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3cc(-c4nn[n-]n4)cs3)n2)c1 ZINC000826369245 898199786 /nfs/dbraw/zinc/19/97/86/898199786.db2.gz TYJCRIAAROKGNI-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCCC3)c3c2cccc3F)c([O-])c1 ZINC001136546863 898236167 /nfs/dbraw/zinc/23/61/67/898236167.db2.gz AEDVJMFPRDUSEF-UHFFFAOYSA-N -1 3 396.462 3.818 20 0 GHADHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1Cl ZINC000043182678 898279126 /nfs/dbraw/zinc/27/91/26/898279126.db2.gz GVSBIUBTVDDGPH-SNVBAGLBSA-N -1 3 396.672 3.808 20 0 GHADHM Cc1cnc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000822388820 898332836 /nfs/dbraw/zinc/33/28/36/898332836.db2.gz CDPJIMJESSKAIB-AWEZNQCLSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1cnc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000822388820 898332847 /nfs/dbraw/zinc/33/28/47/898332847.db2.gz CDPJIMJESSKAIB-AWEZNQCLSA-N -1 3 399.524 3.560 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289602184 914259162 /nfs/dbraw/zinc/25/91/62/914259162.db2.gz UZQBZTUCEHZUCN-CYBMUJFWSA-N -1 3 385.430 3.907 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cc2c(cccc2Cl)[nH]1 ZINC000822978417 898735317 /nfs/dbraw/zinc/73/53/17/898735317.db2.gz KGICZFQYTAIRNO-UHFFFAOYSA-N -1 3 381.823 3.677 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1cc2c(cccc2Cl)[nH]1 ZINC000822978417 898735333 /nfs/dbraw/zinc/73/53/33/898735333.db2.gz KGICZFQYTAIRNO-UHFFFAOYSA-N -1 3 381.823 3.677 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823309455 898946135 /nfs/dbraw/zinc/94/61/35/898946135.db2.gz ZCORJLJAYREZCO-UHFFFAOYSA-N -1 3 378.411 3.717 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823309455 898946143 /nfs/dbraw/zinc/94/61/43/898946143.db2.gz ZCORJLJAYREZCO-UHFFFAOYSA-N -1 3 378.411 3.717 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(Cl)cc1 ZINC000569855869 898986890 /nfs/dbraw/zinc/98/68/90/898986890.db2.gz BLQGSFAUFVWQQG-CQSZACIVSA-N -1 3 385.869 3.766 20 0 GHADHM COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001186100615 914305213 /nfs/dbraw/zinc/30/52/13/914305213.db2.gz YEBVZSJIMKSBRA-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)n1 ZINC000331784320 899161481 /nfs/dbraw/zinc/16/14/81/899161481.db2.gz ILSFWSOVTDURMJ-KRWDZBQOSA-N -1 3 381.476 3.710 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)[C@H]1C[C@H]1C ZINC000570159484 899166515 /nfs/dbraw/zinc/16/65/15/899166515.db2.gz LERRSIVGDWMYOY-SZNDQCEHSA-N -1 3 384.501 3.737 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824024461 899370448 /nfs/dbraw/zinc/37/04/48/899370448.db2.gz GAZKTKXZMABEGY-JTQLQIEISA-N -1 3 384.827 3.605 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824024461 899370461 /nfs/dbraw/zinc/37/04/61/899370461.db2.gz GAZKTKXZMABEGY-JTQLQIEISA-N -1 3 384.827 3.605 20 0 GHADHM Cc1ccc(C=CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000824154086 899429653 /nfs/dbraw/zinc/42/96/53/899429653.db2.gz FHJOXDUAYYDBGK-BQYQJAHWSA-N -1 3 390.281 3.626 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H]3C[C@H](C)CC(C)(C)C3)CC2)n[n-]1 ZINC000332334428 899584971 /nfs/dbraw/zinc/58/49/71/899584971.db2.gz UFFCAKBPKNXVIS-GJZGRUSLSA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H]3C[C@H](C)CC(C)(C)C3)CC2)[n-]1 ZINC000332334428 899584975 /nfs/dbraw/zinc/58/49/75/899584975.db2.gz UFFCAKBPKNXVIS-GJZGRUSLSA-N -1 3 390.528 3.540 20 0 GHADHM Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3n[n-]c(=S)n3C(C)C)c12 ZINC000119332189 899590481 /nfs/dbraw/zinc/59/04/81/899590481.db2.gz DZYPZHBNIOPKST-UHFFFAOYSA-N -1 3 397.508 3.763 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000570825969 899620740 /nfs/dbraw/zinc/62/07/40/899620740.db2.gz ZYACPSWTUNIDIU-UHFFFAOYSA-N -1 3 398.246 3.644 20 0 GHADHM C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479166 899623679 /nfs/dbraw/zinc/62/36/79/899623679.db2.gz LSGLQXMPUTWYPO-FOIQADDNSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479166 899623690 /nfs/dbraw/zinc/62/36/90/899623690.db2.gz LSGLQXMPUTWYPO-FOIQADDNSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824488358 899632377 /nfs/dbraw/zinc/63/23/77/899632377.db2.gz FONQTPVOZRWSIO-XHSDSOJGSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824488358 899632378 /nfs/dbraw/zinc/63/23/78/899632378.db2.gz FONQTPVOZRWSIO-XHSDSOJGSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000570842989 899632415 /nfs/dbraw/zinc/63/24/15/899632415.db2.gz UFTDQULHRLIXHO-RXVVDRJESA-N -1 3 394.515 3.510 20 0 GHADHM C[C@H](NC(=O)NCC1CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499569 899668560 /nfs/dbraw/zinc/66/85/60/899668560.db2.gz PSJYZCOXDCBWDN-AWEZNQCLSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@H](NC(=O)NCC1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499569 899668568 /nfs/dbraw/zinc/66/85/68/899668568.db2.gz PSJYZCOXDCBWDN-AWEZNQCLSA-N -1 3 376.464 3.694 20 0 GHADHM Cc1cc(F)cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000332523672 899734022 /nfs/dbraw/zinc/73/40/22/899734022.db2.gz LRHJBXSSGQBVLC-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001136954055 899839235 /nfs/dbraw/zinc/83/92/35/899839235.db2.gz GUXOINLORVXJCO-CYBMUJFWSA-N -1 3 382.847 3.820 20 0 GHADHM C[C@H]1OCC[C@@]12CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000333096343 899956350 /nfs/dbraw/zinc/95/63/50/899956350.db2.gz UIMJXRGQDOIQMB-XCGNWRKASA-N -1 3 383.444 3.593 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000825113744 899984354 /nfs/dbraw/zinc/98/43/54/899984354.db2.gz FIINVDUYWKQUOF-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000825113744 899984360 /nfs/dbraw/zinc/98/43/60/899984360.db2.gz FIINVDUYWKQUOF-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM CC[C@H](SC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825159183 900020433 /nfs/dbraw/zinc/02/04/33/900020433.db2.gz KVQKAYUWGBXOJK-ACJLOTCBSA-N -1 3 381.505 3.853 20 0 GHADHM CC[C@H](SC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825159183 900020445 /nfs/dbraw/zinc/02/04/45/900020445.db2.gz KVQKAYUWGBXOJK-ACJLOTCBSA-N -1 3 381.505 3.853 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(SC(F)(F)F)cc1 ZINC000825297572 900077407 /nfs/dbraw/zinc/07/74/07/900077407.db2.gz ASCJCBIFWGYWSK-UHFFFAOYSA-N -1 3 383.395 3.992 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298508 900078766 /nfs/dbraw/zinc/07/87/66/900078766.db2.gz SJAIEMYDIVWDND-LLVKDONJSA-N -1 3 377.897 3.900 20 0 GHADHM CCc1sc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1Br ZINC000825305391 900081420 /nfs/dbraw/zinc/08/14/20/900081420.db2.gz ZFAFCYLWWWGLJY-UHFFFAOYSA-N -1 3 396.310 3.766 20 0 GHADHM CCCc1csc(NC(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825348655 900109761 /nfs/dbraw/zinc/10/97/61/900109761.db2.gz VDKSWXFOILEHLX-UHFFFAOYSA-N -1 3 385.497 3.720 20 0 GHADHM CCCc1csc(NC(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825348655 900109770 /nfs/dbraw/zinc/10/97/70/900109770.db2.gz VDKSWXFOILEHLX-UHFFFAOYSA-N -1 3 385.497 3.720 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccccc1F ZINC000826420417 900215785 /nfs/dbraw/zinc/21/57/85/900215785.db2.gz LWTBQEGQYKUFEN-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccccc1F ZINC000826420417 900215797 /nfs/dbraw/zinc/21/57/97/900215797.db2.gz LWTBQEGQYKUFEN-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM CC(=O)N(CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000884939889 900346731 /nfs/dbraw/zinc/34/67/31/900346731.db2.gz DBPAXJFYZAQHLF-LBPRGKRZSA-N -1 3 399.472 3.671 20 0 GHADHM C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000843934137 900377316 /nfs/dbraw/zinc/37/73/16/900377316.db2.gz JREHHFIEFWYKCM-KBPBESRZSA-N -1 3 382.476 3.662 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826442924 900471887 /nfs/dbraw/zinc/47/18/87/900471887.db2.gz QNNAMMFTUPQQNT-UHFFFAOYSA-N -1 3 383.481 3.693 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826442924 900471893 /nfs/dbraw/zinc/47/18/93/900471893.db2.gz QNNAMMFTUPQQNT-UHFFFAOYSA-N -1 3 383.481 3.693 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826452103 900608008 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20 0 GHADHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)[nH]1 ZINC000577039287 902454964 /nfs/dbraw/zinc/45/49/64/902454964.db2.gz QJBDIKVDEAVWSF-NKWVEPMBSA-N -1 3 383.326 3.726 20 0 GHADHM [O-]c1cc(F)c(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cc1F ZINC001144654382 902567096 /nfs/dbraw/zinc/56/70/96/902567096.db2.gz JORXZMRHAUQYCL-QGZVFWFLSA-N -1 3 381.463 3.716 20 0 GHADHM Cc1ccc(Cl)cc1N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000577316243 902674488 /nfs/dbraw/zinc/67/44/88/902674488.db2.gz HAPNDWUSPJIKDS-UHFFFAOYSA-N -1 3 396.878 3.698 20 0 GHADHM CCOC(=O)c1csc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000887632735 903254748 /nfs/dbraw/zinc/25/47/48/903254748.db2.gz ZMBLRZXWLFKRIX-UHFFFAOYSA-N -1 3 385.776 3.701 20 0 GHADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000577995408 903425007 /nfs/dbraw/zinc/42/50/07/903425007.db2.gz WCWPKUKHUWWJQR-LPHOPBHVSA-N -1 3 377.444 3.760 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000887685413 903457262 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20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c([O-])c1 ZINC001147586359 903829308 /nfs/dbraw/zinc/82/93/08/903829308.db2.gz QKLIOEADEDHWKD-QZTJIDSGSA-N -1 3 380.488 3.534 20 0 GHADHM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1ncc([O-])cc1Br ZINC001147892746 903894094 /nfs/dbraw/zinc/89/40/94/903894094.db2.gz YRZKECDULZFRGE-UHFFFAOYSA-N -1 3 377.025 3.812 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C)cs1 ZINC000139027923 903910767 /nfs/dbraw/zinc/91/07/67/903910767.db2.gz ILPSFRMASDFYMZ-LBPRGKRZSA-N -1 3 384.299 3.870 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccnc2Cl)c1[O-] ZINC001148196179 903998313 /nfs/dbraw/zinc/99/83/13/903998313.db2.gz UIUZDRHLMULLIK-UHFFFAOYSA-N -1 3 397.818 3.954 20 0 GHADHM CCCC1CCN(C(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)CC1 ZINC001148611417 904123597 /nfs/dbraw/zinc/12/35/97/904123597.db2.gz ZDIHQPNTLMUTEG-UHFFFAOYSA-N -1 3 395.459 3.645 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148657659 904160670 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3.568 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@H](O)c3ccccc32)s1 ZINC000889272149 904520812 /nfs/dbraw/zinc/52/08/12/904520812.db2.gz SRNDECUURCCJDM-ZDUSSCGKSA-N -1 3 375.450 3.574 20 0 GHADHM COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)sc1C ZINC000290785474 914818605 /nfs/dbraw/zinc/81/86/05/914818605.db2.gz CQZGQTJNKZIXDE-CYBMUJFWSA-N -1 3 380.853 3.574 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC(C2CC2)CC1 ZINC000646770253 914828839 /nfs/dbraw/zinc/82/88/39/914828839.db2.gz IVKAQHBBVHMTOT-UHFFFAOYSA-N -1 3 375.266 3.553 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000290818972 914831019 /nfs/dbraw/zinc/83/10/19/914831019.db2.gz WPDZNAPHARAFJL-STQMWFEESA-N -1 3 397.397 3.594 20 0 GHADHM Cn1cc(-c2nc3n(c2NC(=O)c2cc4sccc4c([O-])c2)CCCC3)cn1 ZINC000889843670 904801442 /nfs/dbraw/zinc/80/14/42/904801442.db2.gz DITFQQZAPMNCND-UHFFFAOYSA-N -1 3 393.472 3.793 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000188237108 904894870 /nfs/dbraw/zinc/89/48/70/904894870.db2.gz SCWSHEGMYJVSJU-NTEUORMPSA-N -1 3 389.224 3.560 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000176629691 905901005 /nfs/dbraw/zinc/90/10/05/905901005.db2.gz ICDOMZPPBBWLIS-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM Cc1cc(F)ccc1-c1ccc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)o1 ZINC000901525069 921202554 /nfs/dbraw/zinc/20/25/54/921202554.db2.gz SFTBPGBZVHFRHC-UHFFFAOYSA-N -1 3 384.411 3.521 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000466862952 921237164 /nfs/dbraw/zinc/23/71/64/921237164.db2.gz MESGVIUULFSEOM-AWEZNQCLSA-N -1 3 395.349 3.650 20 0 GHADHM Cc1nc2ccccc2n1CCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629219664 906601563 /nfs/dbraw/zinc/60/15/63/906601563.db2.gz GFYQWGMBULXUCT-UHFFFAOYSA-N -1 3 382.493 3.690 20 0 GHADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000629291452 906681925 /nfs/dbraw/zinc/68/19/25/906681925.db2.gz HBSSHLUPNHNHAD-ZDUSSCGKSA-N -1 3 393.814 3.757 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)c(C)c1 ZINC000629333587 906719676 /nfs/dbraw/zinc/71/96/76/906719676.db2.gz XABJEWAHLTUJMG-LBPRGKRZSA-N -1 3 388.489 3.583 20 0 GHADHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c(Br)c1OC ZINC000629374412 906746621 /nfs/dbraw/zinc/74/66/21/906746621.db2.gz RZMCHWNFYDGFAB-HZSPNIEDSA-N -1 3 398.297 3.542 20 0 GHADHM CCCOc1ccccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299252237 921268726 /nfs/dbraw/zinc/26/87/26/921268726.db2.gz HTPNOIVKOAZJBJ-UHFFFAOYSA-N -1 3 392.459 3.913 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H]3CCCC34CC4)cs2)c1 ZINC000629829174 907030178 /nfs/dbraw/zinc/03/01/78/907030178.db2.gz CWKLQLQCTZVJBE-CQSZACIVSA-N -1 3 399.516 3.648 20 0 GHADHM CCc1c(NC(=O)NN=c2ccc(Cl)n[n-]2)cnn1-c1cccc(Cl)c1 ZINC000191615026 907112360 /nfs/dbraw/zinc/11/23/60/907112360.db2.gz XPRWKJKSUYLCIF-UHFFFAOYSA-N -1 3 392.250 3.680 20 0 GHADHM [O-]c1c(Br)cccc1CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000191677139 907134670 /nfs/dbraw/zinc/13/46/70/907134670.db2.gz CEXRNIDRKKZJKO-UHFFFAOYSA-N -1 3 381.245 3.732 20 0 GHADHM Cc1c(F)cccc1Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1[O-] ZINC001174669376 907162024 /nfs/dbraw/zinc/16/20/24/907162024.db2.gz SYIJSRBRMRHHNJ-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183309043 907366729 /nfs/dbraw/zinc/36/67/29/907366729.db2.gz OKWDWTNEWUZUIN-SCLBCKFNSA-N -1 3 385.464 3.982 20 0 GHADHM COC(=O)c1cc(Br)cc(Nc2c(F)ccc([O-])c2F)c1OC ZINC001175270912 907481325 /nfs/dbraw/zinc/48/13/25/907481325.db2.gz NUYSUHZGDLMAME-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431959 907550679 /nfs/dbraw/zinc/55/06/79/907550679.db2.gz CNQAKIOPZLBBNM-UHFFFAOYSA-N -1 3 378.436 3.908 20 0 GHADHM CCN(CCc1cccs1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000299446653 921334326 /nfs/dbraw/zinc/33/43/26/921334326.db2.gz YEGUXQUOAUSLBU-UHFFFAOYSA-N -1 3 391.518 3.618 20 0 GHADHM CC(C)OCc1nc([C@H](C)N=c2nc[n-]c3c(-c4ccccc4)nsc32)no1 ZINC000631278754 907661018 /nfs/dbraw/zinc/66/10/18/907661018.db2.gz NCGHMUIOKDDWFT-LBPRGKRZSA-N -1 3 396.476 3.656 20 0 GHADHM Cc1ccccc1C(NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1C ZINC000186628308 907958377 /nfs/dbraw/zinc/95/83/77/907958377.db2.gz QKGRPIBJVKWRNY-UHFFFAOYSA-N -1 3 389.499 3.842 20 0 GHADHM CCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc1Cl ZINC001176187231 907963860 /nfs/dbraw/zinc/96/38/60/907963860.db2.gz UJPHUTDMYUNQRQ-UHFFFAOYSA-N -1 3 391.276 3.871 20 0 GHADHM O=C(c1cc(Nc2nc3c(cccc3[O-])s2)ccc1Cl)N1CCOCC1 ZINC001176527040 908154750 /nfs/dbraw/zinc/15/47/50/908154750.db2.gz BDCXUUATOOTTPX-UHFFFAOYSA-N -1 3 389.864 3.871 20 0 GHADHM COCCc1ncc(CN2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)s1 ZINC000901597653 921385130 /nfs/dbraw/zinc/38/51/30/921385130.db2.gz FFCOFFOYKLAOAO-LJQANCHMSA-N -1 3 388.533 3.803 20 0 GHADHM Cc1cc(C)n2c(CN3CCC([C@H](CC(=O)[O-])c4ccccc4)CC3)cnc2n1 ZINC000901604235 921391968 /nfs/dbraw/zinc/39/19/68/921391968.db2.gz WNWKHEZSNQYRQP-OAQYLSRUSA-N -1 3 392.503 3.817 20 0 GHADHM O=C(NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001177430495 908588048 /nfs/dbraw/zinc/58/80/48/908588048.db2.gz PGQLSCAHLSDQGV-QAPCUYQASA-N -1 3 379.378 3.823 20 0 GHADHM CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177649668 908700922 /nfs/dbraw/zinc/70/09/22/908700922.db2.gz RFJHLXFUFORGNZ-UHFFFAOYSA-N -1 3 395.381 3.552 20 0 GHADHM O=C([O-])CCN(Cc1coc(-c2ccccc2C(F)(F)F)n1)C1CCOCC1 ZINC000634691750 908802217 /nfs/dbraw/zinc/80/22/17/908802217.db2.gz NYQZNROENJJOFZ-UHFFFAOYSA-N -1 3 398.381 3.816 20 0 GHADHM Cn1ccnc1[C@@H](Cc1ccccc1)NCc1cccc([O-])c1Br ZINC001179073022 909375153 /nfs/dbraw/zinc/37/51/53/909375153.db2.gz XDKQSLHBSZYSDG-MRXNPFEDSA-N -1 3 386.293 3.962 20 0 GHADHM C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182335 909398171 /nfs/dbraw/zinc/39/81/71/909398171.db2.gz CZROTIYWJKMJPH-LURJTMIESA-N -1 3 391.275 3.815 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001179183266 909399217 /nfs/dbraw/zinc/39/92/17/909399217.db2.gz QUWNZGXBIUGAJY-LBPRGKRZSA-N -1 3 384.402 3.902 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183049 909399342 /nfs/dbraw/zinc/39/93/42/909399342.db2.gz OYUIPKYSNKDYKW-RNFRBKRXSA-N -1 3 397.184 3.775 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cncc([O-])c2)[C@H](c2ccccc2)C1 ZINC001179382307 909514419 /nfs/dbraw/zinc/51/44/19/909514419.db2.gz BNHOBKMZVDUCIK-OALUTQOASA-N -1 3 397.475 3.767 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCc3cc(C)on3)nc(=O)c2c1C ZINC000901709106 921502655 /nfs/dbraw/zinc/50/26/55/921502655.db2.gz VGZVNAKLTNCXQB-JTQLQIEISA-N -1 3 393.490 3.761 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)nn1-c1cccc(Cl)c1 ZINC000636320255 909539219 /nfs/dbraw/zinc/53/92/19/909539219.db2.gz KTURQGCCEGEIMK-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636322015 909543464 /nfs/dbraw/zinc/54/34/64/909543464.db2.gz ZPZCNTOWUWDWLB-AWEZNQCLSA-N -1 3 377.444 3.687 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1OC ZINC000267552780 909548649 /nfs/dbraw/zinc/54/86/49/909548649.db2.gz GZZKVFZROWHAGZ-JKIFEVAISA-N -1 3 395.525 3.642 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)ns2)c([O-])c(OC)c1 ZINC001179883515 909804869 /nfs/dbraw/zinc/80/48/69/909804869.db2.gz MAHISXARIAKXEW-UHFFFAOYSA-N -1 3 384.413 3.563 20 0 GHADHM CC(C)Oc1cccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001179948557 909822898 /nfs/dbraw/zinc/82/28/98/909822898.db2.gz BWDHCDHRNYLNMJ-UHFFFAOYSA-N -1 3 393.443 3.735 20 0 GHADHM CC(C)Oc1cccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001179948557 909822904 /nfs/dbraw/zinc/82/29/04/909822904.db2.gz BWDHCDHRNYLNMJ-UHFFFAOYSA-N -1 3 393.443 3.735 20 0 GHADHM CC(C)Cc1ncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)s1 ZINC001179954180 909864191 /nfs/dbraw/zinc/86/41/91/909864191.db2.gz IERBHFBBCCWFSH-UHFFFAOYSA-N -1 3 384.461 3.674 20 0 GHADHM CC(C)Cc1ncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)s1 ZINC001179954180 909864197 /nfs/dbraw/zinc/86/41/97/909864197.db2.gz IERBHFBBCCWFSH-UHFFFAOYSA-N -1 3 384.461 3.674 20 0 GHADHM O=C(Cn1c2ccccc2c2ccccc21)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001180078641 909931164 /nfs/dbraw/zinc/93/11/64/909931164.db2.gz FNHVLMRJUZTNQY-UHFFFAOYSA-N -1 3 384.395 3.788 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001180179478 909978185 /nfs/dbraw/zinc/97/81/85/909978185.db2.gz PDDCIOIEDMLAKY-OAHLLOKOSA-N -1 3 381.350 3.754 20 0 GHADHM O=C(Nc1ccnn1C1CCOCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001180189096 910000670 /nfs/dbraw/zinc/00/06/70/910000670.db2.gz JKZDZHSGTNZWDJ-UHFFFAOYSA-N -1 3 393.443 3.772 20 0 GHADHM C[C@H](O)c1cc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)ccc1F ZINC000795382878 910118717 /nfs/dbraw/zinc/11/87/17/910118717.db2.gz YSHQGWRHXOZCQX-NSHDSACASA-N -1 3 394.399 3.615 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C ZINC001180709394 910320078 /nfs/dbraw/zinc/32/00/78/910320078.db2.gz LFCVTSCVRZEQTL-KRWDZBQOSA-N -1 3 396.443 3.900 20 0 GHADHM [O-]c1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1F ZINC001181276968 910676727 /nfs/dbraw/zinc/67/67/27/910676727.db2.gz UDQFOQXNCQYZRC-ZDUSSCGKSA-N -1 3 383.236 3.801 20 0 GHADHM COc1ccc(C(N[C@@H](C)c2nc(C)cc(=O)[n-]2)c2ccc(OC)cc2)cc1 ZINC000640047674 910800245 /nfs/dbraw/zinc/80/02/45/910800245.db2.gz SBULKRFTUAPOCB-HNNXBMFYSA-N -1 3 379.460 3.948 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCC1(c2ccc(F)cc2)CC1 ZINC000640293038 910955054 /nfs/dbraw/zinc/95/50/54/910955054.db2.gz SHKHBQYDRBGKSH-UHFFFAOYSA-N -1 3 390.768 3.513 20 0 GHADHM Cc1ccc2c(CCNC(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)c[nH]c2c1 ZINC000640292515 910955453 /nfs/dbraw/zinc/95/54/53/910955453.db2.gz KWRZEZFBTIUSEI-UHFFFAOYSA-N -1 3 399.804 3.675 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCCCS2)no1 ZINC000273866868 911069894 /nfs/dbraw/zinc/06/98/94/911069894.db2.gz COPITUJJSDHMIT-GWCFXTLKSA-N -1 3 387.914 3.721 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1cc2sccc2c([O-])c1 ZINC000774039935 911315004 /nfs/dbraw/zinc/31/50/04/911315004.db2.gz IRVLBGSWPXOTRE-UHFFFAOYSA-N -1 3 396.468 3.768 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)c1nc(C(F)(F)F)cs1 ZINC000641365502 911391944 /nfs/dbraw/zinc/39/19/44/911391944.db2.gz XWBNZKGSIPXZRA-SFYZADRCSA-N -1 3 392.415 3.824 20 0 GHADHM COc1cc(F)c(-c2noc(-c3cnc(-c4ccccc4)[n-]c3=O)n2)cc1F ZINC001212895671 911399595 /nfs/dbraw/zinc/39/95/95/911399595.db2.gz VCISWMBUEDCION-UHFFFAOYSA-N -1 3 382.326 3.853 20 0 GHADHM O=S(=O)([N-]c1nn(CC(F)(F)F)cc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000641693443 911484107 /nfs/dbraw/zinc/48/41/07/911484107.db2.gz ZCJPIIUVHVVYGB-PWSUYJOCSA-N -1 3 397.781 3.536 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001182365579 911561801 /nfs/dbraw/zinc/56/18/01/911561801.db2.gz SYOBXHSODGMZBD-NWDGAFQWSA-N -1 3 389.333 3.802 20 0 GHADHM C[C@H](CN1CCC(n2cc(C(=O)[O-])cn2)CC1)c1cccc(Br)c1 ZINC000901883214 921688130 /nfs/dbraw/zinc/68/81/30/921688130.db2.gz QHJLJDIDWRLRCZ-CYBMUJFWSA-N -1 3 392.297 3.784 20 0 GHADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1 ZINC001182463494 911758272 /nfs/dbraw/zinc/75/82/72/911758272.db2.gz CZWGXSFUWFSXIW-AWEZNQCLSA-N -1 3 377.444 3.617 20 0 GHADHM CC(=O)Nc1nc2ccc(Nc3ncc(Br)cc3[O-])cc2s1 ZINC001212937801 911762667 /nfs/dbraw/zinc/76/26/67/911762667.db2.gz XQPOCAHOWKXWBV-UHFFFAOYSA-N -1 3 379.239 3.861 20 0 GHADHM COC(=O)[C@H](CC(=O)Nc1cc(Br)ccc1[O-])Cc1ccccc1 ZINC001182804905 912034183 /nfs/dbraw/zinc/03/41/83/912034183.db2.gz UOEPSWNGHNSKAR-ZDUSSCGKSA-N -1 3 392.249 3.515 20 0 GHADHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182885620 912112332 /nfs/dbraw/zinc/11/23/32/912112332.db2.gz RWPZLOUESJZJPX-JSGCOSHPSA-N -1 3 396.878 3.706 20 0 GHADHM C[C@H](N[C@H]1CCc2cccc(Br)c2C1)c1ncc(C(=O)[O-])s1 ZINC000901909353 921727048 /nfs/dbraw/zinc/72/70/48/921727048.db2.gz YNUQKCNNEZYVLW-ONGXEEELSA-N -1 3 381.295 3.812 20 0 GHADHM COc1ccc([C@@H](C(=O)Nc2ncc([O-])cc2Br)C(C)C)cc1 ZINC001182985779 912198762 /nfs/dbraw/zinc/19/87/62/912198762.db2.gz RJYFJSNQTUUXKK-HNNXBMFYSA-N -1 3 379.254 3.937 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1ncc(Br)cc1F ZINC000775060724 914890969 /nfs/dbraw/zinc/89/09/69/914890969.db2.gz MLVNXWWCUQDDDM-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775066304 914922290 /nfs/dbraw/zinc/92/22/90/914922290.db2.gz AHZSLKMBXSFCAU-OAHLLOKOSA-N -1 3 393.846 3.620 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Cl)c1ccc(F)c(Br)c1 ZINC001187002301 914969018 /nfs/dbraw/zinc/96/90/18/914969018.db2.gz UYLBGMVLNLBYJQ-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM CC(C)C[C@H](N)c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000647130610 915046532 /nfs/dbraw/zinc/04/65/32/915046532.db2.gz QJPLLCABTREBLO-KRWDZBQOSA-N -1 3 386.477 3.583 20 0 GHADHM Cc1cc(=O)cc(C)n1CCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000291302157 915088535 /nfs/dbraw/zinc/08/85/35/915088535.db2.gz NSTYPNNDKYHEIO-UHFFFAOYSA-N -1 3 382.382 3.512 20 0 GHADHM Cc1ccccc1-n1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000648000694 915470898 /nfs/dbraw/zinc/47/08/98/915470898.db2.gz ZYYYXNMFIPGLTQ-UHFFFAOYSA-N -1 3 375.472 3.981 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CC[C@@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC001187779143 915490476 /nfs/dbraw/zinc/49/04/76/915490476.db2.gz QRKKYMRWXPOCFL-SNVBAGLBSA-N -1 3 394.440 3.643 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)c2)n1 ZINC000097361732 915518132 /nfs/dbraw/zinc/51/81/32/915518132.db2.gz IBPMZHRUQXFWOZ-UHFFFAOYSA-N -1 3 377.231 3.887 20 0 GHADHM O=c1nc(CN2CCOC[C@@H](C3CCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000292105211 915520277 /nfs/dbraw/zinc/52/02/77/915520277.db2.gz IKMXHFHFXSYCOZ-AWEZNQCLSA-N -1 3 385.489 3.905 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](c1ccccc1F)C1CCCC1 ZINC001187958510 915646432 /nfs/dbraw/zinc/64/64/32/915646432.db2.gz HVVMWRRHFCFYER-MSOLQXFVSA-N -1 3 385.501 3.708 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC001187992782 915670629 /nfs/dbraw/zinc/67/06/29/915670629.db2.gz VHHNTWUAFLFMTB-WDEREUQCSA-N -1 3 377.680 3.876 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1OC)c1ccco1 ZINC001188033706 915725650 /nfs/dbraw/zinc/72/56/50/915725650.db2.gz CVAFWRBGIDUVMN-LJQANCHMSA-N -1 3 391.420 3.504 20 0 GHADHM CN1CCC[C@](C)([N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)C1 ZINC001188203974 915827381 /nfs/dbraw/zinc/82/73/81/915827381.db2.gz NTIWPFYOLLYOJR-SFHVURJKSA-N -1 3 399.944 3.541 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000649007074 915980999 /nfs/dbraw/zinc/98/09/99/915980999.db2.gz YJFNBDCOYAKQMG-NRFANRHFSA-N -1 3 394.519 3.548 20 0 GHADHM CCCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCc2ncsc2C1 ZINC000649161655 916046378 /nfs/dbraw/zinc/04/63/78/916046378.db2.gz DHWILWFKPVAZPO-CQSZACIVSA-N -1 3 381.501 3.784 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649167221 916049412 /nfs/dbraw/zinc/04/94/12/916049412.db2.gz OXZDTHJILKVAAU-XCJLJZCSSA-N -1 3 378.472 3.558 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001188669368 916131927 /nfs/dbraw/zinc/13/19/27/916131927.db2.gz IDLDHHGPXHVWFU-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1nc(Cl)ccc1C(F)(F)F ZINC001188763807 916190560 /nfs/dbraw/zinc/19/05/60/916190560.db2.gz FPPNCDUOEQGWKC-UHFFFAOYSA-N -1 3 396.550 3.869 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1F)C(C)C ZINC001189072109 916388542 /nfs/dbraw/zinc/38/85/42/916388542.db2.gz NNXGDYNJQJANOI-CVEARBPZSA-N -1 3 393.908 3.827 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cnc(Br)c(F)c1 ZINC001189074973 916391350 /nfs/dbraw/zinc/39/13/50/916391350.db2.gz KSEIQFPKVPVFOF-UHFFFAOYSA-N -1 3 393.665 3.621 20 0 GHADHM [O-]C(Nc1ccn(-c2ccccc2Cl)n1)=C(C[C@H]1CCCO1)C(F)(F)F ZINC000649846421 916471646 /nfs/dbraw/zinc/47/16/46/916471646.db2.gz HZZIXQYHHVDENN-NEPJUHHUSA-N -1 3 387.789 3.634 20 0 GHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(I)s2)CC1 ZINC001189322403 916552849 /nfs/dbraw/zinc/55/28/49/916552849.db2.gz YIGQRMASQDBRFT-ZJUUUORDSA-N -1 3 399.319 3.600 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc2nsnc2cc1Cl ZINC001189463109 916666070 /nfs/dbraw/zinc/66/60/70/916666070.db2.gz FLKQTAAAIVPMLL-UHFFFAOYSA-N -1 3 375.809 3.565 20 0 GHADHM C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000650359976 916913088 /nfs/dbraw/zinc/91/30/88/916913088.db2.gz JZPFWUFIWMZZLM-OAQYLSRUSA-N -1 3 397.862 3.853 20 0 GHADHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001189998109 917054381 /nfs/dbraw/zinc/05/43/81/917054381.db2.gz ZVEGWANWRYTBLZ-LBPRGKRZSA-N -1 3 383.316 3.531 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ncc(F)cc1F)c1ccccc1C(F)(F)F ZINC001190205313 917196808 /nfs/dbraw/zinc/19/68/08/917196808.db2.gz PSPFYHOYPCMBKB-UHFFFAOYSA-N -1 3 380.338 3.592 20 0 GHADHM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(O)ccc1Cl ZINC001190259432 917217588 /nfs/dbraw/zinc/21/75/88/917217588.db2.gz LVVLRPMFJQWDPW-UHFFFAOYSA-N -1 3 381.759 3.874 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(F)c1)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350621 917278725 /nfs/dbraw/zinc/27/87/25/917278725.db2.gz PNBYXIRLYVEUHB-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC001190447189 917350304 /nfs/dbraw/zinc/35/03/04/917350304.db2.gz KFDUEUFKVQXJSD-UHFFFAOYSA-N -1 3 375.490 3.953 20 0 GHADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000295555338 917355465 /nfs/dbraw/zinc/35/54/65/917355465.db2.gz JIYGDEPQXDIVRG-GJZGRUSLSA-N -1 3 399.491 3.706 20 0 GHADHM Cc1nc(C(F)(F)F)c(C(=O)Nc2ncc([O-])cc2Br)s1 ZINC001190493221 917389043 /nfs/dbraw/zinc/38/90/43/917389043.db2.gz KVUCGZVVWLIADE-UHFFFAOYSA-N -1 3 382.161 3.586 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC001190592789 917435916 /nfs/dbraw/zinc/43/59/16/917435916.db2.gz CAYJNNPYBFCGRR-GOSISDBHSA-N -1 3 393.892 3.946 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC001190671100 917459269 /nfs/dbraw/zinc/45/92/69/917459269.db2.gz HQCYCHLGELPVCP-INIZCTEOSA-N -1 3 394.990 3.639 20 0 GHADHM O=S(=O)([N-]Cc1cc(C2CC2)ccc1F)c1cc2nc(Cl)ncc2s1 ZINC001190680100 917509476 /nfs/dbraw/zinc/50/94/76/917509476.db2.gz PVTCZNDHMAPTQS-UHFFFAOYSA-N -1 3 397.884 3.840 20 0 GHADHM CCOC(=O)[C@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1cccc2ccccc21 ZINC001190918356 917662180 /nfs/dbraw/zinc/66/21/80/917662180.db2.gz QVVJQGZRQHGSMM-QGZVFWFLSA-N -1 3 384.819 3.628 20 0 GHADHM O=C([N-]c1ncnc2c1ncn2[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC001191038839 917721484 /nfs/dbraw/zinc/72/14/84/917721484.db2.gz GPXYNWFYYJXVPM-AWEZNQCLSA-N -1 3 392.444 3.511 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)cc1 ZINC001191445972 918007772 /nfs/dbraw/zinc/00/77/72/918007772.db2.gz QYZRRMLFICILGB-UHFFFAOYSA-N -1 3 391.342 3.822 20 0 GHADHM COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000652851352 918032234 /nfs/dbraw/zinc/03/22/34/918032234.db2.gz YBWHPNOHPIICJW-KRWDZBQOSA-N -1 3 385.460 3.655 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC001191614123 918099811 /nfs/dbraw/zinc/09/98/11/918099811.db2.gz DDRKRFZAUWHPJM-UHFFFAOYSA-N -1 3 381.947 3.828 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1Cl ZINC001191829213 918252379 /nfs/dbraw/zinc/25/23/79/918252379.db2.gz WXAYIYQSJQHLDQ-UHFFFAOYSA-N -1 3 385.869 3.865 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3cnccc3Br)ccc2c1 ZINC001191939970 918309730 /nfs/dbraw/zinc/30/97/30/918309730.db2.gz FSYAYIAAFXZPKC-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3cnnc(Cl)c3Cl)ccc2c1 ZINC001191939535 918310356 /nfs/dbraw/zinc/31/03/56/918310356.db2.gz CYTLESPWEAYZGG-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC001192082796 918379662 /nfs/dbraw/zinc/37/96/62/918379662.db2.gz AXEPZIQPLNNGSJ-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3F)cc2)cc1 ZINC001192083174 918379939 /nfs/dbraw/zinc/37/99/39/918379939.db2.gz DLWIVFZVBKYTGO-UHFFFAOYSA-N -1 3 384.432 3.701 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1ccccc1C(C)C)OCC ZINC001192226574 918552906 /nfs/dbraw/zinc/55/29/06/918552906.db2.gz WICMBSFAQCECRT-UHFFFAOYSA-N -1 3 388.468 3.891 20 0 GHADHM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(C2CC2)c1 ZINC000297224708 919160373 /nfs/dbraw/zinc/16/03/73/919160373.db2.gz PUPKHCIGVGPNDK-ZDUSSCGKSA-N -1 3 397.441 3.725 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(C2CC2)c1 ZINC000297256677 919187547 /nfs/dbraw/zinc/18/75/47/919187547.db2.gz SLQZLVRTIVMBMA-ZIAGYGMSSA-N -1 3 397.441 3.725 20 0 GHADHM CCN(c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1)C(C)C ZINC000119396960 919626981 /nfs/dbraw/zinc/62/69/81/919626981.db2.gz DQTZEXQVROPVNT-FQEVSTJZSA-N -1 3 395.503 3.870 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1Br)c1cccnc1Cl ZINC000719584674 919642260 /nfs/dbraw/zinc/64/22/60/919642260.db2.gz OLMUMBLNUPWFOU-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C([O-])C[C@@H](Cc1cc(F)c(F)cc1F)NCc1c(Cl)n[nH]c1C1CC1 ZINC000900047673 919771606 /nfs/dbraw/zinc/77/16/06/919771606.db2.gz QZXHQCUTUPBKCB-SNVBAGLBSA-N -1 3 387.789 3.533 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nc2ccccc2n1C(F)F ZINC000800258364 919796497 /nfs/dbraw/zinc/79/64/97/919796497.db2.gz ACHYPFPEGIQYBE-QMMMGPOBSA-N -1 3 375.310 3.760 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nc2ccccc2n1C(F)F ZINC000800258364 919796505 /nfs/dbraw/zinc/79/65/05/919796505.db2.gz ACHYPFPEGIQYBE-QMMMGPOBSA-N -1 3 375.310 3.760 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2n1C(F)F ZINC000800258364 919796514 /nfs/dbraw/zinc/79/65/14/919796514.db2.gz ACHYPFPEGIQYBE-QMMMGPOBSA-N -1 3 375.310 3.760 20 0 GHADHM O=C([O-])C[C@@H]1COCC[C@H]1NCc1sc(Sc2ccccc2)nc1Cl ZINC000900074558 919807476 /nfs/dbraw/zinc/80/74/76/919807476.db2.gz VOPNBLWUOUVZSR-DGCLKSJQSA-N -1 3 398.937 3.917 20 0 GHADHM O=C([O-])C1(CCCCNCc2cn(-c3ccc(F)cc3Cl)nn2)CCC1 ZINC000900080843 919816532 /nfs/dbraw/zinc/81/65/32/919816532.db2.gz OSDBCUJUQHMKNT-UHFFFAOYSA-N -1 3 380.851 3.575 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000365142594 920428461 /nfs/dbraw/zinc/42/84/61/920428461.db2.gz SBRIXYXSNYRROQ-HSZRJFAPSA-N -1 3 394.434 3.924 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c(Cl)n1 ZINC000800927548 920611398 /nfs/dbraw/zinc/61/13/98/920611398.db2.gz DXILHDDUPJZEJL-UHFFFAOYSA-N -1 3 379.913 3.748 20 0 GHADHM Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000365461981 920819084 /nfs/dbraw/zinc/81/90/84/920819084.db2.gz PPBBZBJKFVOZMG-IBGZPJMESA-N -1 3 375.472 3.736 20 0 GHADHM CCOc1ccc(CNCc2ccc(C(=O)[O-])c(Br)c2)cc1OC ZINC000902143468 921914288 /nfs/dbraw/zinc/91/42/88/921914288.db2.gz QJGMOJYDCQMJIQ-UHFFFAOYSA-N -1 3 394.265 3.844 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000902143356 921914411 /nfs/dbraw/zinc/91/44/11/921914411.db2.gz NXDHQTSAVXSAPT-LPHOPBHVSA-N -1 3 385.460 3.591 20 0 GHADHM Cc1cc(C(F)(F)F)nn1CCNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902549079 922271177 /nfs/dbraw/zinc/27/11/77/922271177.db2.gz DORWOQRNPYMPOP-UHFFFAOYSA-N -1 3 393.365 3.958 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902548372 922271289 /nfs/dbraw/zinc/27/12/89/922271289.db2.gz OLAFTWLJHCGOOL-OEIFXAAASA-N -1 3 382.460 3.504 20 0 GHADHM C[C@@H]1CN(Cc2cc(OC(F)F)ccc2Br)C[C@H]1CC(=O)[O-] ZINC000902563290 922294088 /nfs/dbraw/zinc/29/40/88/922294088.db2.gz SKLJJEYJKSVIMU-NXEZZACHSA-N -1 3 378.213 3.593 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1C[C@H]2CCCC[C@H]21 ZINC000367758326 922299538 /nfs/dbraw/zinc/29/95/38/922299538.db2.gz PARBIZQYLLUNDF-DNVCBOLYSA-N -1 3 388.464 3.641 20 0 GHADHM CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)Nc2cccc([O-])c2F)CC1 ZINC000368041361 922443696 /nfs/dbraw/zinc/44/36/96/922443696.db2.gz BHTSTEHCWOWMMJ-UONOGXRCSA-N -1 3 378.444 3.753 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@@H]3OCCc4sccc43)nc2)n1 ZINC000368304292 922585989 /nfs/dbraw/zinc/58/59/89/922585989.db2.gz LQBCMXOHAIKMOH-BLVKFPJESA-N -1 3 382.489 3.983 20 0 GHADHM Cc1n[nH]c(C)c1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902962243 922646853 /nfs/dbraw/zinc/64/68/53/922646853.db2.gz SLUGQINCAYUJHB-UHFFFAOYSA-N -1 3 396.747 3.544 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC23CCCCC3)c1 ZINC000368824347 922900040 /nfs/dbraw/zinc/90/00/40/922900040.db2.gz PEAQXNFQUGIWCF-UHFFFAOYSA-N -1 3 383.448 3.880 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@@H](C)c1ccc(Cl)c(Cl)c1)C[C@H]2C(=O)[O-] ZINC000903415630 923001165 /nfs/dbraw/zinc/00/11/65/923001165.db2.gz LJRCHXRUZXEHLL-NEXIEGCWSA-N -1 3 386.275 3.640 20 0 GHADHM CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000803650025 923122118 /nfs/dbraw/zinc/12/21/18/923122118.db2.gz WZBSJXRQQBJXRH-UHFFFAOYSA-N -1 3 384.476 3.602 20 0 GHADHM CO[C@@H]1CCN(Cc2cc(Br)c3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC000903609123 923123590 /nfs/dbraw/zinc/12/35/90/923123590.db2.gz UGTOFNPSBYNKGB-PBHICJAKSA-N -1 3 378.266 3.666 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(C2CCCC2)n1 ZINC000903619993 923131252 /nfs/dbraw/zinc/13/12/52/923131252.db2.gz YKWGPLIGACZCHX-UHFFFAOYSA-N -1 3 375.281 3.580 20 0 GHADHM O=C([N-]Cc1ccn(Cc2ccccc2)n1)C(F)(F)c1c(F)cccc1F ZINC000803667786 923134423 /nfs/dbraw/zinc/13/44/23/923134423.db2.gz WBXUFZCGHGVUPD-UHFFFAOYSA-N -1 3 377.341 3.618 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903631805 923141699 /nfs/dbraw/zinc/14/16/99/923141699.db2.gz ZOASGBMTAXXGDT-NTZNESFSSA-N -1 3 383.370 3.859 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903689261 923203979 /nfs/dbraw/zinc/20/39/79/923203979.db2.gz FDYBOJOMARALOS-LJQANCHMSA-N -1 3 375.490 3.791 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CC[C@H](Cc2nccs2)C1 ZINC000903957276 923435847 /nfs/dbraw/zinc/43/58/47/923435847.db2.gz LMQXLROBZRIUEL-LLVKDONJSA-N -1 3 381.295 3.668 20 0 GHADHM O=C([O-])c1ccc2c(c1)OCCN(CCc1cccc(OC(F)(F)F)c1)C2 ZINC000903958816 923436975 /nfs/dbraw/zinc/43/69/75/923436975.db2.gz OGJDYUCYHFYECD-UHFFFAOYSA-N -1 3 381.350 3.721 20 0 GHADHM CSc1nc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)n[n-]1 ZINC000748530245 923704530 /nfs/dbraw/zinc/70/45/30/923704530.db2.gz RVFXOEJQTJKHPO-UHFFFAOYSA-N -1 3 377.520 3.836 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc([O-])ccc1Cl ZINC000370143299 923903630 /nfs/dbraw/zinc/90/36/30/923903630.db2.gz TYJXUERVBXALNH-LLVKDONJSA-N -1 3 382.794 3.656 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1OC ZINC000749142606 924045516 /nfs/dbraw/zinc/04/55/16/924045516.db2.gz MRLLFICPWFLEJA-UHFFFAOYSA-N -1 3 395.452 3.873 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000678324954 924724915 /nfs/dbraw/zinc/72/49/15/924724915.db2.gz KQLAISMQCMCQEZ-LJQANCHMSA-N -1 3 393.443 3.738 20 0 GHADHM CCc1cccc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c1[O-] ZINC000678325664 924725007 /nfs/dbraw/zinc/72/50/07/924725007.db2.gz XDUJUTYXZGMIEC-UHFFFAOYSA-N -1 3 389.455 3.918 20 0 GHADHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000678357558 924740702 /nfs/dbraw/zinc/74/07/02/924740702.db2.gz MYVPUZFQMZDNMX-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM Cn1cc2c(n1)CCC[C@@H]2C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000409622303 924818290 /nfs/dbraw/zinc/81/82/90/924818290.db2.gz DAFIXCIEGROFLL-ZDUSSCGKSA-N -1 3 390.274 3.598 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409673399 924871679 /nfs/dbraw/zinc/87/16/79/924871679.db2.gz OOAGKNXBQDXVOD-UHFFFAOYSA-N -1 3 397.482 3.585 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409673399 924871685 /nfs/dbraw/zinc/87/16/85/924871685.db2.gz OOAGKNXBQDXVOD-UHFFFAOYSA-N -1 3 397.482 3.585 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c1 ZINC000827291924 925199591 /nfs/dbraw/zinc/19/95/91/925199591.db2.gz NLCWFHLNKNSZNL-GFCCVEGCSA-N -1 3 392.550 3.595 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cccc(-c2nc(C)cs2)c1)c1ccc(C)o1 ZINC000410156054 925358412 /nfs/dbraw/zinc/35/84/12/925358412.db2.gz DOPQHXLBJOADAQ-INIZCTEOSA-N -1 3 392.502 3.686 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680107534 925365691 /nfs/dbraw/zinc/36/56/91/925365691.db2.gz JSZUWTYRGBKVJF-CYBMUJFWSA-N -1 3 383.347 3.571 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC000680436150 925478019 /nfs/dbraw/zinc/47/80/19/925478019.db2.gz KWZKYUXLMSZVMF-LJQANCHMSA-N -1 3 391.427 3.667 20 0 GHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000680806908 925615736 /nfs/dbraw/zinc/61/57/36/925615736.db2.gz XTYWOJIGSQNIGZ-WIYYLYMNSA-N -1 3 391.471 3.959 20 0 GHADHM Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000373117039 925868645 /nfs/dbraw/zinc/86/86/45/925868645.db2.gz BNNPIVLUBKEQMR-INIZCTEOSA-N -1 3 377.444 3.938 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000682414666 926105985 /nfs/dbraw/zinc/10/59/85/926105985.db2.gz GTIFLQMYEBVTMG-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000682493321 926137714 /nfs/dbraw/zinc/13/77/14/926137714.db2.gz CAHMNNFDDGMSIN-HNNXBMFYSA-N -1 3 378.394 3.527 20 0 GHADHM Cn1ncc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1C(F)(F)F ZINC000682563009 926163417 /nfs/dbraw/zinc/16/34/17/926163417.db2.gz KBIOZLSNZGCELA-UHFFFAOYSA-N -1 3 393.350 3.956 20 0 GHADHM COc1ccc2c(ccn2CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000683049193 926337838 /nfs/dbraw/zinc/33/78/38/926337838.db2.gz PAFFSDYFBCMRQU-UHFFFAOYSA-N -1 3 387.399 3.820 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000383939452 926358759 /nfs/dbraw/zinc/35/87/59/926358759.db2.gz XMYRBPOKXJLOKW-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOc1ccc(NC(=O)C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)cc1 ZINC000150137918 926392111 /nfs/dbraw/zinc/39/21/11/926392111.db2.gz BLNSXDNDPZMDBH-UHFFFAOYSA-N -1 3 382.794 3.585 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1F ZINC000725830083 926461360 /nfs/dbraw/zinc/46/13/60/926461360.db2.gz UMICBNIISVUHBS-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)cc1 ZINC000725833005 926462390 /nfs/dbraw/zinc/46/23/90/926462390.db2.gz RNKWZIZCMXXGRO-UHFFFAOYSA-N -1 3 391.880 3.653 20 0 GHADHM CC(C)Cc1ccc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000725991170 926522927 /nfs/dbraw/zinc/52/29/27/926522927.db2.gz FJAHUZOPBSJHON-UHFFFAOYSA-N -1 3 379.453 3.753 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1[O-] ZINC000411939296 926924414 /nfs/dbraw/zinc/92/44/14/926924414.db2.gz HCFNKWKCEDGSBV-GOSISDBHSA-N -1 3 377.799 3.601 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1[O-] ZINC000412122154 927119241 /nfs/dbraw/zinc/11/92/41/927119241.db2.gz OTHFZJACODHSFL-UHFFFAOYSA-N -1 3 389.473 3.560 20 0 GHADHM Cc1nc2c(s1)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000374768203 927496764 /nfs/dbraw/zinc/49/67/64/927496764.db2.gz ZXTPOQGIDWSAQT-ZDUSSCGKSA-N -1 3 396.310 3.796 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1 ZINC000750976747 927960640 /nfs/dbraw/zinc/96/06/40/927960640.db2.gz DOWPPBMXUFRTOF-AWEZNQCLSA-N -1 3 396.896 3.587 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCC1CCCCC1 ZINC000751109559 928033356 /nfs/dbraw/zinc/03/33/56/928033356.db2.gz VHGXRJNNIHBXHN-GFCCVEGCSA-N -1 3 388.917 3.549 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCCCC1 ZINC000751192852 928070766 /nfs/dbraw/zinc/07/07/66/928070766.db2.gz VMUFPWJPOITBNX-QGZVFWFLSA-N -1 3 384.517 3.601 20 0 GHADHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc2O1 ZINC000751539373 928238367 /nfs/dbraw/zinc/23/83/67/928238367.db2.gz WIYYKPMSWVGXHM-HXUWFJFHSA-N -1 3 397.452 3.507 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)[C@@H](O)c3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000751996016 928537568 /nfs/dbraw/zinc/53/75/68/928537568.db2.gz UTEIWIRVCLKWTL-FKIZINRSSA-N -1 3 396.422 3.540 20 0 GHADHM O=C(Nc1ncccc1[O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000544023944 928698854 /nfs/dbraw/zinc/69/88/54/928698854.db2.gz JIJCZYBQEYAEGG-UHFFFAOYSA-N -1 3 389.337 3.516 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c(=O)[n-]1 ZINC000544122162 928833313 /nfs/dbraw/zinc/83/33/13/928833313.db2.gz SWEQZHACMXIHKH-CQSZACIVSA-N -1 3 378.432 3.843 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000544283414 929019093 /nfs/dbraw/zinc/01/90/93/929019093.db2.gz FUAMVOUDKYMSJZ-HOTGVXAUSA-N -1 3 394.397 3.645 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cncc(F)c3)c2)cc1 ZINC000467652206 929272603 /nfs/dbraw/zinc/27/26/03/929272603.db2.gz YKYCBIBGJHYDTQ-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CC1([C@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)OCCO1 ZINC000753332588 929306976 /nfs/dbraw/zinc/30/69/76/929306976.db2.gz HBCVLTAUPQLULE-FQEVSTJZSA-N -1 3 395.499 3.793 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)s1 ZINC000467712291 929328814 /nfs/dbraw/zinc/32/88/14/929328814.db2.gz YSTRLDAOFFCBFK-SECBINFHSA-N -1 3 378.404 3.501 20 0 GHADHM CC(C)(C)c1noc2ncc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)cc21 ZINC000467719605 929336660 /nfs/dbraw/zinc/33/66/60/929336660.db2.gz CTYOWOQAPFDTEU-UHFFFAOYSA-N -1 3 397.385 3.863 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000467762530 929384382 /nfs/dbraw/zinc/38/43/82/929384382.db2.gz BJDICRMVQMOBOS-GOSISDBHSA-N -1 3 395.459 3.878 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)c1Cl ZINC000467766843 929388308 /nfs/dbraw/zinc/38/83/08/929388308.db2.gz DXYIHOROUFFCND-UHFFFAOYSA-N -1 3 394.349 3.929 20 0 GHADHM Cc1ccccc1C1(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)CCOCC1 ZINC000467806605 929447993 /nfs/dbraw/zinc/44/79/93/929447993.db2.gz SHXBHZDYMVCNDT-UHFFFAOYSA-N -1 3 397.425 3.772 20 0 GHADHM C[C@H]1CCCC[C@H]1c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000544757847 929543675 /nfs/dbraw/zinc/54/36/75/929543675.db2.gz OCKQAVAQTJSVLW-SMDDNHRTSA-N -1 3 379.457 3.610 20 0 GHADHM O=C(Nc1ccc2cccc(Br)c2n1)c1nnc2ccccc2c1[O-] ZINC000757094428 929635901 /nfs/dbraw/zinc/63/59/01/929635901.db2.gz ASMVVBKMIMNGJY-UHFFFAOYSA-N -1 3 395.216 3.898 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000469177899 929658784 /nfs/dbraw/zinc/65/87/84/929658784.db2.gz ZPZMZMLSSXEGAA-UHFFFAOYSA-N -1 3 393.418 3.562 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@@H](OC(C)C)C3(C)C)cc2)cc(=O)[n-]1 ZINC000545913504 929668661 /nfs/dbraw/zinc/66/86/61/929668661.db2.gz FFRLQDVOLAQQSB-ZWKOTPCHSA-N -1 3 384.480 3.871 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c1 ZINC000757918096 929854104 /nfs/dbraw/zinc/85/41/04/929854104.db2.gz CFIUBYYRHADRIC-NVXWUHKLSA-N -1 3 376.497 3.720 20 0 GHADHM CCc1nnc(C)cc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000546146450 929904075 /nfs/dbraw/zinc/90/40/75/929904075.db2.gz CSVSKCXUUVFOLJ-UHFFFAOYSA-N -1 3 376.247 3.719 20 0 GHADHM CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000758297304 930004998 /nfs/dbraw/zinc/00/49/98/930004998.db2.gz RZRHYSHGUGYYIX-MRXNPFEDSA-N -1 3 397.431 3.904 20 0 GHADHM O=C(OCc1ncccc1C(F)(F)F)c1cccc(Br)c1[O-] ZINC000758454823 930051403 /nfs/dbraw/zinc/05/14/03/930051403.db2.gz NEGVAUUQKAMHRZ-UHFFFAOYSA-N -1 3 376.128 3.926 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000469722072 930109620 /nfs/dbraw/zinc/10/96/20/930109620.db2.gz VRFNMFCETUADEF-UWVGGRQHSA-N -1 3 395.684 3.816 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc([C@@H]3C[C@H]3C)no2)c1[O-] ZINC000546481182 930201274 /nfs/dbraw/zinc/20/12/74/930201274.db2.gz HCLDQONWKLFPAV-BDJLRTHQSA-N -1 3 389.411 3.670 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4cc(F)ccc4C)s3)nn2)cc1 ZINC000469882080 930232308 /nfs/dbraw/zinc/23/23/08/930232308.db2.gz CSQQFEJAMBBKPE-UHFFFAOYSA-N -1 3 394.435 3.794 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000470266146 930498223 /nfs/dbraw/zinc/49/82/23/930498223.db2.gz YDXRUFPIVYZOBM-CQSZACIVSA-N -1 3 391.855 3.710 20 0 GHADHM CC(C)(C)c1nnc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cn21 ZINC000470382695 930573878 /nfs/dbraw/zinc/57/38/78/930573878.db2.gz LJRYDRNXLHZVJO-UHFFFAOYSA-N -1 3 389.253 3.747 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)F)c1)c1nc(Cc2ccccc2)no1 ZINC000780806771 930601560 /nfs/dbraw/zinc/60/15/60/930601560.db2.gz HKCGGCCYHQBHEQ-LBPRGKRZSA-N -1 3 393.415 3.638 20 0 GHADHM CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC000780975547 930658106 /nfs/dbraw/zinc/65/81/06/930658106.db2.gz NJKSNFSFLKUIBW-VLIAUNLRSA-N -1 3 396.459 3.568 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000781043533 930681357 /nfs/dbraw/zinc/68/13/57/930681357.db2.gz LTMAYSZXZOSNBA-NSHDSACASA-N -1 3 381.398 3.994 20 0 GHADHM CCc1cnc(CC[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000470615666 930751980 /nfs/dbraw/zinc/75/19/80/930751980.db2.gz YFRNVSQGWCVCBY-UHFFFAOYSA-N -1 3 384.910 3.935 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000781584441 930895190 /nfs/dbraw/zinc/89/51/90/930895190.db2.gz URQSHHSFANTVCE-UHFFFAOYSA-N -1 3 396.399 3.547 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3CC[C@H](C)C3)c2)c1 ZINC000781608448 930903747 /nfs/dbraw/zinc/90/37/47/930903747.db2.gz QSUQYCRGWPBJBG-DZGCQCFKSA-N -1 3 398.459 3.580 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3c(Cl)n(C)nc3C(F)(F)F)n[n-]2)o1 ZINC000782317550 931173859 /nfs/dbraw/zinc/17/38/59/931173859.db2.gz LGEVJDCBXIKDJQ-UHFFFAOYSA-N -1 3 388.733 3.741 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3c(Cl)n(C)nc3C(F)(F)F)[n-]n2)o1 ZINC000782317550 931173867 /nfs/dbraw/zinc/17/38/67/931173867.db2.gz LGEVJDCBXIKDJQ-UHFFFAOYSA-N -1 3 388.733 3.741 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1nc2c(s1)CCC2 ZINC000557096019 931209039 /nfs/dbraw/zinc/20/90/39/931209039.db2.gz NMIIWCIZMDTPOK-JTQLQIEISA-N -1 3 380.466 3.865 20 0 GHADHM Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc21 ZINC000782472044 931233834 /nfs/dbraw/zinc/23/38/34/931233834.db2.gz UZUNZWGQLNBGEX-UHFFFAOYSA-N -1 3 398.484 3.661 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnc(-c2ccccc2)s1 ZINC000782914725 931364762 /nfs/dbraw/zinc/36/47/62/931364762.db2.gz WVRQPCQRORTHBJ-UHFFFAOYSA-N -1 3 379.397 3.923 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782994784 931380957 /nfs/dbraw/zinc/38/09/57/931380957.db2.gz QVTICRAYJVHZKK-UHFFFAOYSA-N -1 3 397.412 3.753 20 0 GHADHM COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000557451759 931438004 /nfs/dbraw/zinc/43/80/04/931438004.db2.gz INUNKTAADWTFIA-HSZRJFAPSA-N -1 3 375.424 3.502 20 0 GHADHM Cn1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C2CCCCC2)n1 ZINC000783387807 931532768 /nfs/dbraw/zinc/53/27/68/931532768.db2.gz DUQFWKWENACKDE-UHFFFAOYSA-N -1 3 382.420 3.580 20 0 GHADHM COc1cc(C(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc(OC)c1[O-] ZINC000557629327 931582665 /nfs/dbraw/zinc/58/26/65/931582665.db2.gz KTEROQICZMTKBC-KRWDZBQOSA-N -1 3 394.349 3.924 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783772717 931651024 /nfs/dbraw/zinc/65/10/24/931651024.db2.gz WAHSDQAXYVIIDF-GFCCVEGCSA-N -1 3 386.429 3.675 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cc2C1 ZINC000783859232 931695396 /nfs/dbraw/zinc/69/53/96/931695396.db2.gz KPCTVKDUPNHZGW-ZBEGNZNMSA-N -1 3 393.892 3.578 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(F)cc1F ZINC000557820943 931706065 /nfs/dbraw/zinc/70/60/65/931706065.db2.gz TZBRFHPXPVKKAD-LBPRGKRZSA-N -1 3 380.338 3.808 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000557862089 931728185 /nfs/dbraw/zinc/72/81/85/931728185.db2.gz KOVCUOGJPWRBJQ-AWEZNQCLSA-N -1 3 378.252 3.535 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)n[nH]2)c(C)c1 ZINC000784833434 932010838 /nfs/dbraw/zinc/01/08/38/932010838.db2.gz YIMOEMLAUCMZFK-UHFFFAOYSA-N -1 3 390.399 3.806 20 0 GHADHM COC1(CNC(=O)N=c2cc3ccccn3[n-]2)CCC(c2ccccc2)CC1 ZINC000558475117 932023342 /nfs/dbraw/zinc/02/33/42/932023342.db2.gz YADONYIBJVEIAT-UHFFFAOYSA-N -1 3 378.476 3.621 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)c3ccc4c(c3)OCO4)c2)n1 ZINC000796911987 932107605 /nfs/dbraw/zinc/10/76/05/932107605.db2.gz SEHGIIDRFIQKFV-CYBMUJFWSA-N -1 3 378.384 3.595 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(F)cc2n[n-]nc21 ZINC000558613137 932109143 /nfs/dbraw/zinc/10/91/43/932109143.db2.gz SSNKRYYBHDECMY-UHFFFAOYSA-N -1 3 393.344 3.968 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cc2ccccc2Cl)c2ccco2)nc2c1COCC2 ZINC000926813132 932316284 /nfs/dbraw/zinc/31/62/84/932316284.db2.gz NICLJHGBAOFTFS-KRWDZBQOSA-N -1 3 385.851 3.575 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)C ZINC000798411110 932636016 /nfs/dbraw/zinc/63/60/16/932636016.db2.gz MWXLGMRGAJNMDF-KRWDZBQOSA-N -1 3 399.457 3.792 20 0 GHADHM C[C@@]1([C@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)COC(=O)N1 ZINC000928025848 932769730 /nfs/dbraw/zinc/76/97/30/932769730.db2.gz OFTRCGCYCBVAIC-NYHFZMIOSA-N -1 3 396.443 3.535 20 0 GHADHM Cc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1Br ZINC000798956432 932838597 /nfs/dbraw/zinc/83/85/97/932838597.db2.gz XKURXTCJOYUIJW-UHFFFAOYSA-N -1 3 393.247 3.648 20 0 GHADHM CCC(CC)(C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799023690 932854296 /nfs/dbraw/zinc/85/42/96/932854296.db2.gz GHHKGQIDVSSNTL-UHFFFAOYSA-N -1 3 384.442 3.662 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OCc2ccccc2OC)cc1 ZINC000799092484 932875028 /nfs/dbraw/zinc/87/50/28/932875028.db2.gz RGPIIUIBEGREJM-UHFFFAOYSA-N -1 3 385.460 3.941 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000799095281 932876930 /nfs/dbraw/zinc/87/69/30/932876930.db2.gz GFSKZIYJXWLKKV-HNNXBMFYSA-N -1 3 397.500 3.769 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)c(C2CC2)n1 ZINC000799186412 932904830 /nfs/dbraw/zinc/90/48/30/932904830.db2.gz VMWHRCPGNNBHJT-HJWRWDBZSA-N -1 3 394.294 3.838 20 0 GHADHM CSC1(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000799686321 933091791 /nfs/dbraw/zinc/09/17/91/933091791.db2.gz SCDNRKCTVOWDHT-UHFFFAOYSA-N -1 3 395.477 3.679 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCSC3CCCCC3)[n-]c(=O)c12 ZINC000799883773 933151893 /nfs/dbraw/zinc/15/18/93/933151893.db2.gz PWAVENSTAISXIX-UHFFFAOYSA-N -1 3 393.534 3.983 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001115836804 933216686 /nfs/dbraw/zinc/21/66/86/933216686.db2.gz CKUPNSSTFPSLSF-UHFFFAOYSA-N -1 3 381.407 3.671 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001115888464 933232189 /nfs/dbraw/zinc/23/21/89/933232189.db2.gz SQEOKJMVINFJAK-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c1[O-] ZINC000560551730 933337086 /nfs/dbraw/zinc/33/70/86/933337086.db2.gz FNDSLMOCQNHTCW-LLVKDONJSA-N -1 3 378.222 3.763 20 0 GHADHM CC(C)c1ccc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(C(C)C)c1 ZINC000929557468 933508754 /nfs/dbraw/zinc/50/87/54/933508754.db2.gz RKUIEHRPFGIKDV-INIZCTEOSA-N -1 3 383.496 3.829 20 0 GHADHM CCCCc1nc(NC(=O)c2cnn(C3CCCCC3)c2)c(C(=O)OCC)[n-]1 ZINC001116754767 933738660 /nfs/dbraw/zinc/73/86/60/933738660.db2.gz HKFWOCINRNIQRH-UHFFFAOYSA-N -1 3 387.484 3.883 20 0 GHADHM CC(C)(C)c1ccc(OCc2nnc([C@H]([N-]S(C)(=O)=O)C(C)(C)C)o2)cc1 ZINC001117183740 933873600 /nfs/dbraw/zinc/87/36/00/933873600.db2.gz SJQCMZJRVUYSJM-INIZCTEOSA-N -1 3 395.525 3.583 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000930183221 933881349 /nfs/dbraw/zinc/88/13/49/933881349.db2.gz UCOCJTIGNNDAMD-FUHWJXTLSA-N -1 3 394.475 3.769 20 0 GHADHM C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000561293204 934027170 /nfs/dbraw/zinc/02/71/70/934027170.db2.gz YOIOCFPEZKBABO-OAHLLOKOSA-N -1 3 399.520 3.648 20 0 GHADHM C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000561293204 934027179 /nfs/dbraw/zinc/02/71/79/934027179.db2.gz YOIOCFPEZKBABO-OAHLLOKOSA-N -1 3 399.520 3.648 20 0 GHADHM CN(c1ccccc1)C1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000930410719 934033529 /nfs/dbraw/zinc/03/35/29/934033529.db2.gz OOKSDCOERIJXKW-UHFFFAOYSA-N -1 3 397.425 3.547 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2nc(C3CC3)ncc2Br)s1 ZINC000930420097 934037709 /nfs/dbraw/zinc/03/77/09/934037709.db2.gz OALRASBLACDNBX-UHFFFAOYSA-N -1 3 396.314 3.953 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1C(F)(F)F ZINC000561469681 934194080 /nfs/dbraw/zinc/19/40/80/934194080.db2.gz NVDZGYMLXLFJRJ-NXEZZACHSA-N -1 3 390.349 3.747 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC001118635193 934214520 /nfs/dbraw/zinc/21/45/20/934214520.db2.gz WRDJMAUYWBFSTE-LJQANCHMSA-N -1 3 382.485 3.702 20 0 GHADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cccnc1C(F)(F)F ZINC000561511587 934229324 /nfs/dbraw/zinc/22/93/24/934229324.db2.gz FQAFJIXISGVZCO-UHFFFAOYSA-N -1 3 388.436 3.704 20 0 GHADHM CC1(C)CC[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000561627071 934320880 /nfs/dbraw/zinc/32/08/80/934320880.db2.gz OFXDPDGNXOXCMI-HNAYVOBHSA-N -1 3 378.472 3.538 20 0 GHADHM COC(=O)c1cc(Cl)c(Cl)c([N-]C(=O)c2ncoc2[C@H]2CCCO2)c1 ZINC001119287871 934325485 /nfs/dbraw/zinc/32/54/85/934325485.db2.gz BLOCEPREAJUSMM-LLVKDONJSA-N -1 3 385.203 3.872 20 0 GHADHM Cc1nc(-c2nnc(N3CCc4cccc(Cl)c4C3)n2CC(C)C)cc(=O)[n-]1 ZINC001122743233 934969049 /nfs/dbraw/zinc/96/90/49/934969049.db2.gz ORFMOAKQMHDTOU-UHFFFAOYSA-N -1 3 398.898 3.621 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001122999698 935051318 /nfs/dbraw/zinc/05/13/18/935051318.db2.gz SXWPUIKDAUHAMY-HNNXBMFYSA-N -1 3 398.536 3.731 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2cc(C(=O)OC)co2)sc2c1CCCCC2 ZINC001125046053 935515229 /nfs/dbraw/zinc/51/52/29/935515229.db2.gz DKHOPQLWJPYCID-UHFFFAOYSA-N -1 3 391.445 3.826 20 0 GHADHM C[C@H](CO[N-]C(=O)Cc1coc2cc(Cl)ccc12)NC(=O)OC(C)(C)C ZINC001137598276 935613880 /nfs/dbraw/zinc/61/38/80/935613880.db2.gz HLXWMQRIOOZMSH-LLVKDONJSA-N -1 3 382.844 3.590 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3ccc(O)cc32)c(Cl)c1 ZINC001137700143 935731796 /nfs/dbraw/zinc/73/17/96/935731796.db2.gz GUFCEESMONHUSJ-UHFFFAOYSA-N -1 3 390.848 3.823 20 0 GHADHM CN(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000829466512 935812992 /nfs/dbraw/zinc/81/29/92/935812992.db2.gz BWSUHARJOXJFHT-KRWDZBQOSA-N -1 3 381.501 3.853 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC000829757222 935856790 /nfs/dbraw/zinc/85/67/90/935856790.db2.gz KSLQLJHSRTVPRB-KGLIPLIRSA-N -1 3 392.521 3.728 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c([O-])c1 ZINC001137938028 935880477 /nfs/dbraw/zinc/88/04/77/935880477.db2.gz RYZXPXSHDYRLDI-SIXWZSSISA-N -1 3 377.481 3.985 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)COc2c(Cl)cccc2Cl)c([O-])c1 ZINC001137937920 935880509 /nfs/dbraw/zinc/88/05/09/935880509.db2.gz ODHGPHVIHHWYFQ-UHFFFAOYSA-N -1 3 384.215 3.893 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCC1 ZINC000830245787 935920151 /nfs/dbraw/zinc/92/01/51/935920151.db2.gz UJJHXGAVYYEEPC-UHFFFAOYSA-N -1 3 397.435 3.604 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NCc2ccc(-c3c[nH]cn3)cc2)c1 ZINC001573279202 946635821 /nfs/dbraw/zinc/63/58/21/946635821.db2.gz DVISWAYQIZWADB-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NCc2ccc(-c3c[nH]cn3)cc2)c1 ZINC001573279202 946635831 /nfs/dbraw/zinc/63/58/31/946635831.db2.gz DVISWAYQIZWADB-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC001573357868 947651757 /nfs/dbraw/zinc/65/17/57/947651757.db2.gz ABFPAFDXUHIAJC-ZRDIBKRKSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001573357868 947651761 /nfs/dbraw/zinc/65/17/61/947651761.db2.gz ABFPAFDXUHIAJC-ZRDIBKRKSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001573363914 947716481 /nfs/dbraw/zinc/71/64/81/947716481.db2.gz FBMJPOLNRCDGPE-OWBHPGMISA-N -1 3 381.867 3.625 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001573363914 947716496 /nfs/dbraw/zinc/71/64/96/947716496.db2.gz FBMJPOLNRCDGPE-OWBHPGMISA-N -1 3 381.867 3.625 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001436650184 948516787 /nfs/dbraw/zinc/51/67/87/948516787.db2.gz UEZNUQUQVSLBAU-UHFFFAOYSA-N -1 3 397.454 3.957 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001436650184 948516790 /nfs/dbraw/zinc/51/67/90/948516790.db2.gz UEZNUQUQVSLBAU-UHFFFAOYSA-N -1 3 397.454 3.957 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001464621973 948531167 /nfs/dbraw/zinc/53/11/67/948531167.db2.gz MZBHKKYHOMKGJN-UHFFFAOYSA-N -1 3 392.806 3.540 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001464621973 948531171 /nfs/dbraw/zinc/53/11/71/948531171.db2.gz MZBHKKYHOMKGJN-UHFFFAOYSA-N -1 3 392.806 3.540 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1c(Cl)cccc1Cl ZINC001573731364 948591872 /nfs/dbraw/zinc/59/18/72/948591872.db2.gz WGOTWGDFRVGBNJ-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1c(Cl)cccc1Cl ZINC001573731364 948591879 /nfs/dbraw/zinc/59/18/79/948591879.db2.gz WGOTWGDFRVGBNJ-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM CC(C)c1ccc(SCC(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001574417091 948766114 /nfs/dbraw/zinc/76/61/14/948766114.db2.gz LAIFDCJVSUSNKF-UHFFFAOYSA-N -1 3 379.489 3.672 20 0 GHADHM CC(C)c1ccc(SCC(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001574417091 948766125 /nfs/dbraw/zinc/76/61/25/948766125.db2.gz LAIFDCJVSUSNKF-UHFFFAOYSA-N -1 3 379.489 3.672 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cn(C)c2ccccc12 ZINC001573756895 948824874 /nfs/dbraw/zinc/82/48/74/948824874.db2.gz VHSVETBMIXAHDW-NSHDSACASA-N -1 3 380.839 3.754 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cn(C)c2ccccc12 ZINC001573756895 948824891 /nfs/dbraw/zinc/82/48/91/948824891.db2.gz VHSVETBMIXAHDW-NSHDSACASA-N -1 3 380.839 3.754 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001574082235 948848595 /nfs/dbraw/zinc/84/85/95/948848595.db2.gz CLAXERDWFYLIQA-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001574082235 948848608 /nfs/dbraw/zinc/84/86/08/948848608.db2.gz CLAXERDWFYLIQA-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1c(F)cccc1Cl ZINC001574083444 948887809 /nfs/dbraw/zinc/88/78/09/948887809.db2.gz SULDUFHRTBJFBE-OAHLLOKOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1c(F)cccc1Cl ZINC001574083444 948887824 /nfs/dbraw/zinc/88/78/24/948887824.db2.gz SULDUFHRTBJFBE-OAHLLOKOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)C1CCC(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)CC1 ZINC001574089560 948959462 /nfs/dbraw/zinc/95/94/62/948959462.db2.gz IFUTUWYZEWAXFP-UHFFFAOYSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)C1CCC(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)CC1 ZINC001574089560 948959475 /nfs/dbraw/zinc/95/94/75/948959475.db2.gz IFUTUWYZEWAXFP-UHFFFAOYSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C(=O)NC1CCC(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573772874 948970863 /nfs/dbraw/zinc/97/08/63/948970863.db2.gz XNVUYJWIJHKWQS-UHFFFAOYSA-N -1 3 389.503 3.987 20 0 GHADHM CC(C)(C(=O)NC1CCC(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573772874 948970879 /nfs/dbraw/zinc/97/08/79/948970879.db2.gz XNVUYJWIJHKWQS-UHFFFAOYSA-N -1 3 389.503 3.987 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001574099169 949170492 /nfs/dbraw/zinc/17/04/92/949170492.db2.gz IQLKZCFSXXBDKE-QUCCMNQESA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001574099169 949170509 /nfs/dbraw/zinc/17/05/09/949170509.db2.gz IQLKZCFSXXBDKE-QUCCMNQESA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC12CCCCCC2 ZINC001574099191 949175095 /nfs/dbraw/zinc/17/50/95/949175095.db2.gz JJFXEGIFEXVFJA-INIZCTEOSA-N -1 3 388.903 3.736 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC12CCCCCC2 ZINC001574099191 949175104 /nfs/dbraw/zinc/17/51/04/949175104.db2.gz JJFXEGIFEXVFJA-INIZCTEOSA-N -1 3 388.903 3.736 20 0 GHADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001576158576 949499680 /nfs/dbraw/zinc/49/96/80/949499680.db2.gz UIVNJNCGKXLUBO-DOMZBBRYSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001576158576 949499692 /nfs/dbraw/zinc/49/96/92/949499692.db2.gz UIVNJNCGKXLUBO-DOMZBBRYSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001576170190 949707325 /nfs/dbraw/zinc/70/73/25/949707325.db2.gz KZASZBCADXEKTG-NWDGAFQWSA-N -1 3 392.301 3.575 20 0 GHADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001576170190 949707338 /nfs/dbraw/zinc/70/73/38/949707338.db2.gz KZASZBCADXEKTG-NWDGAFQWSA-N -1 3 392.301 3.575 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001573825658 949890576 /nfs/dbraw/zinc/89/05/76/949890576.db2.gz ANKCOAKBQDQDDH-KGLIPLIRSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001573825658 949890591 /nfs/dbraw/zinc/89/05/91/949890591.db2.gz ANKCOAKBQDQDDH-KGLIPLIRSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C)CCCCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001573844936 950208481 /nfs/dbraw/zinc/20/84/81/950208481.db2.gz NQUFCJAKFRXZOO-UHFFFAOYSA-N -1 3 390.557 3.616 20 0 GHADHM CC(C)(C)CCCCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001573844936 950208499 /nfs/dbraw/zinc/20/84/99/950208499.db2.gz NQUFCJAKFRXZOO-UHFFFAOYSA-N -1 3 390.557 3.616 20 0 GHADHM CCN(CCOC)c1cccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001589735075 950529779 /nfs/dbraw/zinc/52/97/79/950529779.db2.gz VTNCWFGMHFUQOF-UHFFFAOYSA-N -1 3 397.519 3.632 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC=CCC1 ZINC001575614497 950532755 /nfs/dbraw/zinc/53/27/55/950532755.db2.gz FPUNIGXJMCJWJZ-HXUWFJFHSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC=CCC1 ZINC001575614497 950532766 /nfs/dbraw/zinc/53/27/66/950532766.db2.gz FPUNIGXJMCJWJZ-HXUWFJFHSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(-c5nnn[n-]5)ccc4F)cc3c2C1 ZINC001576213547 950631031 /nfs/dbraw/zinc/63/10/31/950631031.db2.gz CLPNKFQIBAKHCF-LLVKDONJSA-N -1 3 390.422 3.864 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(-c5nn[n-]n5)ccc4F)cc3c2C1 ZINC001576213547 950631043 /nfs/dbraw/zinc/63/10/43/950631043.db2.gz CLPNKFQIBAKHCF-LLVKDONJSA-N -1 3 390.422 3.864 20 0 GHADHM CC(C)(C)OCc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001573873316 950640033 /nfs/dbraw/zinc/64/00/33/950640033.db2.gz ILPIJSAQSZQBFX-QXMHVHEDSA-N -1 3 377.448 3.834 20 0 GHADHM CC(C)(C)OCc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001573873316 950640042 /nfs/dbraw/zinc/64/00/42/950640042.db2.gz ILPIJSAQSZQBFX-QXMHVHEDSA-N -1 3 377.448 3.834 20 0 GHADHM CC(C)(C)OCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001573873344 950640526 /nfs/dbraw/zinc/64/05/26/950640526.db2.gz JWQDKIHIHHNZJV-UHFFFAOYSA-N -1 3 380.518 3.552 20 0 GHADHM CC(C)(C)OCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001573873344 950640536 /nfs/dbraw/zinc/64/05/36/950640536.db2.gz JWQDKIHIHHNZJV-UHFFFAOYSA-N -1 3 380.518 3.552 20 0 GHADHM CC(C)(C)c1ccc(Cl)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001573881327 950750268 /nfs/dbraw/zinc/75/02/68/950750268.db2.gz DCXOHMPHSRPBAN-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001574184171 950775556 /nfs/dbraw/zinc/77/55/56/950775556.db2.gz HHDAVPNJTZPFTB-FZMZJTMJSA-N -1 3 396.417 3.615 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3cncc4[nH]ccc43)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576218284 950782371 /nfs/dbraw/zinc/78/23/71/950782371.db2.gz QATMMDCAFMIIJT-UWVGGRQHSA-N -1 3 393.476 3.743 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3cncc4[nH]ccc43)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576218284 950782380 /nfs/dbraw/zinc/78/23/80/950782380.db2.gz QATMMDCAFMIIJT-UWVGGRQHSA-N -1 3 393.476 3.743 20 0 GHADHM CC(C)CCC1CCN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)CC1 ZINC001574184801 950782969 /nfs/dbraw/zinc/78/29/69/950782969.db2.gz NNJDEBMREGVFHZ-UHFFFAOYSA-N -1 3 377.439 3.633 20 0 GHADHM CC(C)CCC1CCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)CC1 ZINC001574184801 950782986 /nfs/dbraw/zinc/78/29/86/950782986.db2.gz NNJDEBMREGVFHZ-UHFFFAOYSA-N -1 3 377.439 3.633 20 0 GHADHM CN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380436727 971699520 /nfs/dbraw/zinc/69/95/20/971699520.db2.gz LFPVOGOJSOURSD-GOSISDBHSA-N -1 3 387.867 3.776 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001575188121 952446257 /nfs/dbraw/zinc/44/62/57/952446257.db2.gz HCJAMBIXYUHIPX-SNVBAGLBSA-N -1 3 376.873 3.677 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001575188121 952446264 /nfs/dbraw/zinc/44/62/64/952446264.db2.gz HCJAMBIXYUHIPX-SNVBAGLBSA-N -1 3 376.873 3.677 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC001575189818 952458901 /nfs/dbraw/zinc/45/89/01/952458901.db2.gz PZHXICXMSMBDJP-LAUBAEHRSA-N -1 3 391.519 3.676 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001575189818 952458904 /nfs/dbraw/zinc/45/89/04/952458904.db2.gz PZHXICXMSMBDJP-LAUBAEHRSA-N -1 3 391.519 3.676 20 0 GHADHM C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001575200680 952497878 /nfs/dbraw/zinc/49/78/78/952497878.db2.gz DZKQGJLPDPSLLJ-GFCCVEGCSA-N -1 3 382.493 3.901 20 0 GHADHM C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001575200680 952497884 /nfs/dbraw/zinc/49/78/84/952497884.db2.gz DZKQGJLPDPSLLJ-GFCCVEGCSA-N -1 3 382.493 3.901 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@H]3COc3ccccc3)o2)C1 ZINC001594918961 954788961 /nfs/dbraw/zinc/78/89/61/954788961.db2.gz XMJZCGKGRBDZOT-MSOLQXFVSA-N -1 3 384.476 3.624 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@H]3COc3ccccc3)o2)C1 ZINC001594918962 954789752 /nfs/dbraw/zinc/78/97/52/954789752.db2.gz XMJZCGKGRBDZOT-ROUUACIJSA-N -1 3 384.476 3.624 20 0 GHADHM Cc1cc(CN2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)cs1 ZINC001594303058 957927886 /nfs/dbraw/zinc/92/78/86/957927886.db2.gz HXOSZYSBBWNQGQ-OAHLLOKOSA-N -1 3 382.526 3.590 20 0 GHADHM C[C@@H]1[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000312648050 963580772 /nfs/dbraw/zinc/58/07/72/963580772.db2.gz KLWRJUNQBUBGRG-ACJLOTCBSA-N -1 3 387.867 3.823 20 0 GHADHM O=C(NC[C@@H](O)c1cccc(Br)c1)c1cc2sccc2c([O-])c1 ZINC001625874229 1014281258 /nfs/dbraw/zinc/28/12/58/1014281258.db2.gz JQIGKMCHFPPZJH-OAHLLOKOSA-N -1 3 392.274 3.833 20 0 GHADHM CC(C)Oc1ccc(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1Cl ZINC001591776969 975930274 /nfs/dbraw/zinc/93/02/74/975930274.db2.gz VOMSFUYSLDBDHT-HXUWFJFHSA-N -1 3 381.900 3.709 20 0 GHADHM CC(C)c1[nH]c(CN2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001591912705 976351029 /nfs/dbraw/zinc/35/10/29/976351029.db2.gz QTBRJDDLPOBJHE-CQSZACIVSA-N -1 3 379.501 3.573 20 0 GHADHM CC(C)n1ncc2cc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c(Cl)nc21 ZINC001592162895 977045881 /nfs/dbraw/zinc/04/58/81/977045881.db2.gz IRIRDBNOXWLNPR-OAHLLOKOSA-N -1 3 378.904 3.988 20 0 GHADHM C[C@](CC(=O)[O-])(NCc1ccc(Cl)c(Br)c1)c1cccnc1 ZINC001592327669 977742409 /nfs/dbraw/zinc/74/24/09/977742409.db2.gz COTVPNCASWWMSV-MRXNPFEDSA-N -1 3 383.673 3.977 20 0 GHADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000842658099 979324004 /nfs/dbraw/zinc/32/40/04/979324004.db2.gz KZQNNZKMNORTCJ-NHCUHLMSSA-N -1 3 398.547 3.925 20 0 GHADHM CC[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@H]1CCCCO1 ZINC001595287025 980366200 /nfs/dbraw/zinc/36/62/00/980366200.db2.gz KYFYVLYKCIXNOQ-UONOGXRCSA-N -1 3 389.279 3.567 20 0 GHADHM CC[C@]1(CO)CCCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001595381869 980920938 /nfs/dbraw/zinc/92/09/38/980920938.db2.gz ASRYDIRFGNFFGD-QHCPKHFHSA-N -1 3 383.488 3.948 20 0 GHADHM CC[C@@H]1CN(Cc2ccccc2O[C@@H](C)C(=O)[O-])CCN1Cc1ccccc1 ZINC001595491002 981244461 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382.888 3.701 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001589511042 987137985 /nfs/dbraw/zinc/13/79/85/987137985.db2.gz YGJYWFOWXRMYIM-JXFKEZNVSA-N -1 3 381.476 3.833 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@](C)(CC)C3)nc(=O)c2c1C ZINC000468129447 1015306655 /nfs/dbraw/zinc/30/66/55/1015306655.db2.gz BSPBONDAHQIFHH-BLVKFPJESA-N -1 3 377.510 3.653 20 0 GHADHM CCc1[nH]c(CN[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597393421 987635475 /nfs/dbraw/zinc/63/54/75/987635475.db2.gz NRKZKYGWZPUEKV-INIZCTEOSA-N -1 3 399.491 3.731 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc([C@@H]4C[C@@H]4C)no3)c2)cc1 ZINC000545057371 1015441604 /nfs/dbraw/zinc/44/16/04/1015441604.db2.gz HPDCTZSCWQSITQ-SUMWQHHRSA-N -1 3 399.472 3.978 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@]2(C)CN([C@@H](C(=O)[O-])c3ccccc3F)C[C@@]2(C)C1 ZINC001590099737 989240494 /nfs/dbraw/zinc/24/04/94/989240494.db2.gz XRKAVTBUHIIIBF-HBGVWJBISA-N -1 3 392.471 3.530 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000468244762 1015489679 /nfs/dbraw/zinc/48/96/79/1015489679.db2.gz DBKSQGCAOYVBSW-HXUWFJFHSA-N -1 3 390.480 3.889 20 0 GHADHM CC(C)(C)c1ccc(CCCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC001590485433 990083957 /nfs/dbraw/zinc/08/39/57/990083957.db2.gz WNANNRLFUXCCPX-UHFFFAOYSA-N -1 3 388.552 3.704 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(Cl)cc1 ZINC001598200836 990818394 /nfs/dbraw/zinc/81/83/94/990818394.db2.gz SBUMBSRBTXZJPZ-CQSZACIVSA-N -1 3 397.262 3.511 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001598202272 990821811 /nfs/dbraw/zinc/82/18/11/990821811.db2.gz CINBUJDLXDNPHQ-INIZCTEOSA-N -1 3 379.819 3.602 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001590993754 991215434 /nfs/dbraw/zinc/21/54/34/991215434.db2.gz RGCXPAGBRUNPFB-QGZVFWFLSA-N -1 3 383.423 3.530 20 0 GHADHM CN(CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(C)(C)CC(=O)[O-] ZINC001598387351 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20 0 GHADHM C[C@@H](Oc1ccccc1CN1CCC2(CC1)OCCc1ccsc12)C(=O)[O-] ZINC001593645386 995973878 /nfs/dbraw/zinc/97/38/78/995973878.db2.gz RWJZERBALIBZGI-OAHLLOKOSA-N -1 3 387.501 3.664 20 0 GHADHM C[C@@H](Oc1ccccc1CNC[C@H](O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001593646881 995989732 /nfs/dbraw/zinc/98/97/32/995989732.db2.gz XHIIYBPLCPJYSN-BZNIZROVSA-N -1 3 384.259 3.669 20 0 GHADHM COC(=O)[C@H]1CCN(Cc2ccc(Sc3ccccc3)cc2)[C@H](C(=O)[O-])C1 ZINC001598802151 996148201 /nfs/dbraw/zinc/14/82/01/996148201.db2.gz FEARNXDZHRKTHL-LPHOPBHVSA-N -1 3 385.485 3.676 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C4CC4)no3)c2)cc1 ZINC000545614337 1016111945 /nfs/dbraw/zinc/11/19/45/1016111945.db2.gz QPSSRBPSWHHWIO-UHFFFAOYSA-N -1 3 385.445 3.732 20 0 GHADHM CO[C@@H]1CCC[C@@H]([C@@H](NCc2csc(Nc3ccccc3)n2)C(=O)[O-])C1 ZINC001599114384 997626561 /nfs/dbraw/zinc/62/65/61/997626561.db2.gz UDSVKRSLGABKMI-KBRIMQKVSA-N -1 3 375.494 3.635 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OC)c(OC)c2C)C(=O)[O-])cc1Cl ZINC001599532882 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ZINC001155011739 1032378085 /nfs/dbraw/zinc/37/80/85/1032378085.db2.gz VONHWBKKOWMOMV-UHFFFAOYSA-N -1 3 393.440 3.533 20 0 GHADHM CC(C)C[C@@H](Oc1cccc([O-])c1I)C(=O)OC(C)C ZINC001227379738 1032395892 /nfs/dbraw/zinc/39/58/92/1032395892.db2.gz IEWPEINCJXKALV-CYBMUJFWSA-N -1 3 392.233 3.742 20 0 GHADHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317552191 1032411898 /nfs/dbraw/zinc/41/18/98/1032411898.db2.gz KSWHBNGWMODUES-GFCCVEGCSA-N -1 3 386.286 3.888 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)/C=C/[C@]3(C)CC[C@H](C)C3(C)C)C2)n1 ZINC001155148018 1032435606 /nfs/dbraw/zinc/43/56/06/1032435606.db2.gz GNJFQJLTJDKJFN-HQAWXUKWSA-N -1 3 386.540 3.594 20 0 GHADHM COc1cccc(C(=O)C(F)(F)F)c1NC(=O)c1nc2nc(Cl)ccc2[n-]1 ZINC001155186978 1032449980 /nfs/dbraw/zinc/44/99/80/1032449980.db2.gz QTVCIYABRDYSTI-UHFFFAOYSA-N -1 3 398.728 3.617 20 0 GHADHM COc1cccc(C(=O)C(F)(F)F)c1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155186978 1032449987 /nfs/dbraw/zinc/44/99/87/1032449987.db2.gz QTVCIYABRDYSTI-UHFFFAOYSA-N -1 3 398.728 3.617 20 0 GHADHM O=C(c1ccccn1)[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccn1 ZINC001227585254 1032473753 /nfs/dbraw/zinc/47/37/53/1032473753.db2.gz AWWHAUXEOXFCST-QGZVFWFLSA-N -1 3 375.306 3.599 20 0 GHADHM CCOC(=O)C[C@@H](Oc1c([O-])cc(Br)cc1F)C(F)(F)F ZINC001227589037 1032475018 /nfs/dbraw/zinc/47/50/18/1032475018.db2.gz XUMBYDKOTCUFKP-SECBINFHSA-N -1 3 375.112 3.557 20 0 GHADHM COC(=O)c1ccc(C2(NC(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)cc1 ZINC001155312215 1032498379 /nfs/dbraw/zinc/49/83/79/1032498379.db2.gz JSVNUDLLXBDTEH-UHFFFAOYSA-N -1 3 385.823 3.534 20 0 GHADHM CCN1CCC(Oc2cc([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c23)CC1 ZINC001227817757 1032626391 /nfs/dbraw/zinc/62/63/91/1032626391.db2.gz XNBMHLXWKFCTIA-UHFFFAOYSA-N -1 3 381.428 3.734 20 0 GHADHM CO[C@@H]1CCOc2c(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cccc21 ZINC000561309786 1017835725 /nfs/dbraw/zinc/83/57/25/1017835725.db2.gz VHNGUCLMAVYXST-QGZVFWFLSA-N -1 3 382.391 3.698 20 0 GHADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000562283601 1018094068 /nfs/dbraw/zinc/09/40/68/1018094068.db2.gz NKOZPBKRUOIYCW-UHFFFAOYSA-N -1 3 389.408 3.640 20 0 GHADHM CCCOc1ccc(Br)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000565100900 1019155066 /nfs/dbraw/zinc/15/50/66/1019155066.db2.gz JNGTWIAIXPINBO-HNNXBMFYSA-N -1 3 382.298 3.925 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000565293638 1019174723 /nfs/dbraw/zinc/17/47/23/1019174723.db2.gz YJTIABSSMSSFSZ-QMMMGPOBSA-N -1 3 377.318 3.978 20 0 GHADHM COc1cc(OC)cc(OCCCN(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000567633764 1019320361 /nfs/dbraw/zinc/32/03/61/1019320361.db2.gz OITRMOPQPOXVOS-UHFFFAOYSA-N -1 3 379.840 3.604 20 0 GHADHM O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1c(F)ccc([O-])c1F ZINC000572645264 1019790479 /nfs/dbraw/zinc/79/04/79/1019790479.db2.gz HRJNYQRMVSWDBN-OAHLLOKOSA-N -1 3 380.822 3.891 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1cccc(Cl)c1 ZINC000572922710 1019817640 /nfs/dbraw/zinc/81/76/40/1019817640.db2.gz YAJZJARFICQIIN-AWEZNQCLSA-N -1 3 385.869 3.766 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3COc4c(C)cccc4C3)cc2)cc(=O)[n-]1 ZINC000579294823 1020402076 /nfs/dbraw/zinc/40/20/76/1020402076.db2.gz XYTIWDVQVYJYBX-SFHVURJKSA-N -1 3 390.443 3.591 20 0 GHADHM S=c1nc(-c2ccccc2)cc(O[C@@H]2CCN(c3ccnc(Cl)n3)C2)[n-]1 ZINC001228346237 1032899835 /nfs/dbraw/zinc/89/98/35/1032899835.db2.gz BLFZJBWKUZQQAI-CYBMUJFWSA-N -1 3 385.880 3.533 20 0 GHADHM COc1cc2ncc(C(=O)Nc3nc(C4CCC4)cs3)c([O-])c2c(OC)c1 ZINC000626674656 1020478151 /nfs/dbraw/zinc/47/81/51/1020478151.db2.gz HJIICMDTNXOTRA-UHFFFAOYSA-N -1 3 385.445 3.522 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@@H](C)C1(F)F ZINC000628393404 1020699107 /nfs/dbraw/zinc/69/91/07/1020699107.db2.gz HDFMFHLDAFZWAV-NXEZZACHSA-N -1 3 399.235 3.654 20 0 GHADHM CC(C)(C)c1cnc(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)[n-]1 ZINC000630436966 1020821610 /nfs/dbraw/zinc/82/16/10/1020821610.db2.gz VJYRZDSORXIEEY-UHFFFAOYSA-N -1 3 381.404 3.614 20 0 GHADHM CC(C)(C)c1c[n-]c(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)n1 ZINC000630436966 1020821617 /nfs/dbraw/zinc/82/16/17/1020821617.db2.gz VJYRZDSORXIEEY-UHFFFAOYSA-N -1 3 381.404 3.614 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1ncc(C(C)(C)C)[n-]1 ZINC000630435707 1020821657 /nfs/dbraw/zinc/82/16/57/1020821657.db2.gz DRPSCXKOFFERGT-UHFFFAOYSA-N -1 3 377.510 3.551 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630435707 1020821665 /nfs/dbraw/zinc/82/16/65/1020821665.db2.gz DRPSCXKOFFERGT-UHFFFAOYSA-N -1 3 377.510 3.551 20 0 GHADHM Cn1nc(C(=O)[O-])cc1CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000635305527 1020979081 /nfs/dbraw/zinc/97/90/81/1020979081.db2.gz POKXENUCBSXXJE-MRXNPFEDSA-N -1 3 378.270 3.512 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC2(CC2(F)F)CC1 ZINC000652844391 1021228853 /nfs/dbraw/zinc/22/88/53/1021228853.db2.gz FHECZQJUPCADBU-UHFFFAOYSA-N -1 3 397.219 3.552 20 0 GHADHM Cc1cc(C)c(/C=C/C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1C ZINC001140270439 1021295231 /nfs/dbraw/zinc/29/52/31/1021295231.db2.gz AWZMSSISECEDAY-IBHATUTGSA-N -1 3 381.476 3.505 20 0 GHADHM C[C@@H](NC(=O)CCc1cccc2ccccc21)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273593 1021298835 /nfs/dbraw/zinc/29/88/35/1021298835.db2.gz WYSQZMWRCPBLFG-HZPDHXFCSA-N -1 3 391.471 3.653 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952297 1021664037 /nfs/dbraw/zinc/66/40/37/1021664037.db2.gz XIRQOMCANWBJMR-OVSNFEJUSA-N -1 3 388.489 3.858 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748639168 1021706766 /nfs/dbraw/zinc/70/67/66/1021706766.db2.gz AHGWVEVTMIFGGJ-UHFFFAOYSA-N -1 3 388.464 3.632 20 0 GHADHM O=C(Cc1ccccc1O[C@@H]1CCOC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000827169213 1021931369 /nfs/dbraw/zinc/93/13/69/1021931369.db2.gz ISOHGIRWNQUSNQ-QGZVFWFLSA-N -1 3 395.377 3.664 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1cccc([O-])c1Br ZINC001140547729 1021949256 /nfs/dbraw/zinc/94/92/56/1021949256.db2.gz LHDVDEIXCSVHNY-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140551235 1021953191 /nfs/dbraw/zinc/95/31/91/1021953191.db2.gz QZFMNGDVDHTJAV-KBXCAEBGSA-N -1 3 384.314 3.562 20 0 GHADHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725828985 1022386770 /nfs/dbraw/zinc/38/67/70/1022386770.db2.gz XCWONKBZCBDTBS-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1[O-] ZINC000754277608 1022578622 /nfs/dbraw/zinc/57/86/22/1022578622.db2.gz CMTAWICUHXIJJC-LLVKDONJSA-N -1 3 393.823 3.555 20 0 GHADHM [O-]c1ccc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)c(F)c1F ZINC001140889077 1022805898 /nfs/dbraw/zinc/80/58/98/1022805898.db2.gz NLMRXBLQUVAMQJ-KRWDZBQOSA-N -1 3 381.463 3.716 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)CN1c1ccc(F)c(F)c1 ZINC001140990175 1023101727 /nfs/dbraw/zinc/10/17/27/1023101727.db2.gz OTJTXHJNZRIIAZ-HXUWFJFHSA-N -1 3 394.368 3.578 20 0 GHADHM CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140993290 1023115876 /nfs/dbraw/zinc/11/58/76/1023115876.db2.gz KHGUCHGRSRSIJH-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c([O-])c(F)c1 ZINC001140994571 1023117895 /nfs/dbraw/zinc/11/78/95/1023117895.db2.gz SEBQZZSRTBMHEF-LQDVMPOASA-N -1 3 382.451 3.938 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc3c(cc2[O-])CCC3=O)C(C)(C)C1 ZINC001228853343 1033137339 /nfs/dbraw/zinc/13/73/39/1033137339.db2.gz HTRDBPMGZSSLNG-SFHVURJKSA-N -1 3 375.465 3.936 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2Oc1cc2c(cc1[O-])CCC2=O ZINC001228857058 1033138853 /nfs/dbraw/zinc/13/88/53/1033138853.db2.gz JBKKNOVBJVWZTJ-DBIVSCPCSA-N -1 3 387.476 3.936 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228856908 1033139739 /nfs/dbraw/zinc/13/97/39/1033139739.db2.gz HLNYDYVDJMNYOI-FZKQIMNGSA-N -1 3 375.465 3.936 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1 ZINC000756332985 1023593672 /nfs/dbraw/zinc/59/36/72/1023593672.db2.gz OLRQRBIFHONPMW-AWEZNQCLSA-N -1 3 398.640 3.747 20 0 GHADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cc(C(F)(F)F)ccc1F ZINC000756337431 1023595451 /nfs/dbraw/zinc/59/54/51/1023595451.db2.gz GMDDKHPVEKVXAK-INIZCTEOSA-N -1 3 399.340 3.521 20 0 GHADHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc(F)cc(Cl)c1 ZINC000756907241 1023857177 /nfs/dbraw/zinc/85/71/77/1023857177.db2.gz KYKZCUHQSZWQDL-UHFFFAOYSA-N -1 3 377.828 3.513 20 0 GHADHM CCOc1cccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1OC(F)F ZINC000756980080 1023896668 /nfs/dbraw/zinc/89/66/68/1023896668.db2.gz SPTMAFRAEUDVBC-UHFFFAOYSA-N -1 3 395.406 3.544 20 0 GHADHM CCc1cccc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c1[O-] ZINC000837156920 1024162587 /nfs/dbraw/zinc/16/25/87/1024162587.db2.gz VGHCLGHYUCLYSR-MRXNPFEDSA-N -1 3 378.266 3.523 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1[O-] ZINC001138176335 1024305984 /nfs/dbraw/zinc/30/59/84/1024305984.db2.gz BLPQSNSXOKCASR-LLVKDONJSA-N -1 3 381.213 3.814 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 ZINC001138188972 1024334410 /nfs/dbraw/zinc/33/44/10/1024334410.db2.gz RBHQNPXIDJSSBK-UHFFFAOYSA-N -1 3 394.446 3.960 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236677 1024444210 /nfs/dbraw/zinc/44/42/10/1024444210.db2.gz AIQSPHSPKDUQLL-UHFFFAOYSA-N -1 3 398.463 3.569 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cnc(Cc2ccccc2F)s1 ZINC000837650606 1024608046 /nfs/dbraw/zinc/60/80/46/1024608046.db2.gz YNSNLLLXCNIBNH-UHFFFAOYSA-N -1 3 385.420 3.603 20 0 GHADHM CCN(CC)[C@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001138325886 1024669381 /nfs/dbraw/zinc/66/93/81/1024669381.db2.gz LSSLGOQTLOGVIY-HNNXBMFYSA-N -1 3 378.270 3.571 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CC4CC3(C(=O)N3CCCC3)C4)cc2)c1 ZINC001141355527 1024677857 /nfs/dbraw/zinc/67/78/57/1024677857.db2.gz YUOLNRRRFZUZOE-UHFFFAOYSA-N -1 3 390.483 3.639 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001138368883 1024732668 /nfs/dbraw/zinc/73/26/68/1024732668.db2.gz MKBICPOOTGNPJT-OAHLLOKOSA-N -1 3 378.350 3.593 20 0 GHADHM CC(F)(F)c1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001141514570 1025351806 /nfs/dbraw/zinc/35/18/06/1025351806.db2.gz UKUWKLOCCKEMJH-UHFFFAOYSA-N -1 3 378.325 3.848 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001141518700 1025369988 /nfs/dbraw/zinc/36/99/88/1025369988.db2.gz QIKHCFXNHCDHKX-HNNXBMFYSA-N -1 3 376.497 3.616 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC000838840386 1025391044 /nfs/dbraw/zinc/39/10/44/1025391044.db2.gz YBBYXDAVUUKNGE-GXTWGEPZSA-N -1 3 399.329 3.890 20 0 GHADHM C[C@@H]1CN(c2ccc(NCc3cccc([O-])c3Br)cc2)CCO1 ZINC000838879694 1025414414 /nfs/dbraw/zinc/41/44/14/1025414414.db2.gz JUBWRFRVIMBXIY-CYBMUJFWSA-N -1 3 377.282 3.992 20 0 GHADHM [O-]c1cccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)c1Br ZINC000838927184 1025450205 /nfs/dbraw/zinc/45/02/05/1025450205.db2.gz CTWFVCPLLKJSCK-OAHLLOKOSA-N -1 3 390.199 3.694 20 0 GHADHM CCOc1cc(CNc2cc(N3CCNC3=O)ccc2C)cc(Cl)c1[O-] ZINC000839065004 1025552697 /nfs/dbraw/zinc/55/26/97/1025552697.db2.gz UMKWKLRMQYELLD-UHFFFAOYSA-N -1 3 375.856 3.894 20 0 GHADHM COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001138930091 1025599761 /nfs/dbraw/zinc/59/97/61/1025599761.db2.gz WECPZZOYZVVVLP-FQEVSTJZSA-N -1 3 383.444 3.664 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000839343090 1025823171 /nfs/dbraw/zinc/82/31/71/1025823171.db2.gz RMXFMTFPQRKNNI-UHFFFAOYSA-N -1 3 384.339 3.579 20 0 GHADHM Cc1ccc(/C=C/c2ccc(-n3c4[n-]c(=O)sc4c(=O)nc3N)cc2)cc1 ZINC001163047942 1026025394 /nfs/dbraw/zinc/02/53/94/1026025394.db2.gz HBRGENGROIIRJR-VOTSOKGWSA-N -1 3 376.441 3.851 20 0 GHADHM COc1cc(C)c(Br)cc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001141649855 1026057981 /nfs/dbraw/zinc/05/79/81/1026057981.db2.gz YKCJVPHOLLVPHM-UHFFFAOYSA-N -1 3 378.222 3.927 20 0 GHADHM CCCCOc1c(Br)cc(C)cc1NCCCc1c[n-][nH]c1=O ZINC001164393492 1026504821 /nfs/dbraw/zinc/50/48/21/1026504821.db2.gz ABVYACUFBVYKPT-ZDUSSCGKSA-N -1 3 382.302 3.860 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853369 1026668204 /nfs/dbraw/zinc/66/82/04/1026668204.db2.gz BGPKDTVRMTXJQK-VQTJNVASSA-N -1 3 391.475 3.526 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853369 1026668210 /nfs/dbraw/zinc/66/82/10/1026668210.db2.gz BGPKDTVRMTXJQK-VQTJNVASSA-N -1 3 391.475 3.526 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(F)(F)F ZINC001165515280 1026751618 /nfs/dbraw/zinc/75/16/18/1026751618.db2.gz NIDOUZQRJFLEGW-QGZVFWFLSA-N -1 3 395.377 3.597 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001166613612 1027039788 /nfs/dbraw/zinc/03/97/88/1027039788.db2.gz GDPSIIINPNENJB-QWHCGFSZSA-N -1 3 381.448 3.785 20 0 GHADHM O=C(Nc1cccc(-n2ccnc2)c1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001141768373 1027181158 /nfs/dbraw/zinc/18/11/58/1027181158.db2.gz RBQBPGGUBQIXHE-UHFFFAOYSA-N -1 3 386.411 3.810 20 0 GHADHM [O-]c1c(F)cc(Br)cc1Nc1ccccc1CN1CCOCC1 ZINC001209933166 1027285009 /nfs/dbraw/zinc/28/50/09/1027285009.db2.gz VONGIYUXQKGIDD-UHFFFAOYSA-N -1 3 381.245 3.870 20 0 GHADHM O=C(NCc1ccccc1OCc1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC001141798221 1027310899 /nfs/dbraw/zinc/31/08/99/1027310899.db2.gz DMZLAQOGSQLVMG-UHFFFAOYSA-N -1 3 377.396 3.630 20 0 GHADHM CC1(C)CC[C@@H](OC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1=O ZINC000840206393 1027346826 /nfs/dbraw/zinc/34/68/26/1027346826.db2.gz LWSLTPQCBTYDMN-RBUKOAKNSA-N -1 3 395.455 3.554 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCCC2 ZINC001210373506 1027476479 /nfs/dbraw/zinc/47/64/79/1027476479.db2.gz YFEDPEFJWCUFSE-HUUCEWRRSA-N -1 3 395.418 3.861 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Sc2ccccc2)c1)c1noc(C)n1 ZINC001210592688 1027566823 /nfs/dbraw/zinc/56/68/23/1027566823.db2.gz AKFOQYYMRIHKMI-KRWDZBQOSA-N -1 3 389.502 3.959 20 0 GHADHM C[C@H]1Cc2cccc(S(=O)(=O)[N-][C@H](CCc3ccccc3)C(F)(F)F)c2O1 ZINC001211306285 1027902445 /nfs/dbraw/zinc/90/24/45/1027902445.db2.gz QWSJPXUFGONVEB-SUMWQHHRSA-N -1 3 399.434 3.852 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)c(F)c1 ZINC001211363478 1027921211 /nfs/dbraw/zinc/92/12/11/1027921211.db2.gz LTZYZOQHTHVHCB-GOSISDBHSA-N -1 3 391.464 3.822 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(Cl)c1Br ZINC001213134896 1028011351 /nfs/dbraw/zinc/01/13/51/1028011351.db2.gz DRHQUYIIWDRMNS-VWYCJHECSA-N -1 3 378.719 3.817 20 0 GHADHM CCOc1cc(-c2noc([C@H]3C[C@@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000840994099 1028027555 /nfs/dbraw/zinc/02/75/55/1028027555.db2.gz PSZFOCOVMGZCCT-JOYOIKCWSA-N -1 3 382.258 3.664 20 0 GHADHM CC(C)N(C)C(=O)c1noc2c1CN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142109306 1028129335 /nfs/dbraw/zinc/12/93/35/1028129335.db2.gz LDXZPNUGVKXAJG-UHFFFAOYSA-N -1 3 398.290 3.726 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)c(Cl)c1 ZINC001142109304 1028130821 /nfs/dbraw/zinc/13/08/21/1028130821.db2.gz LDRVTGYSLVYQIL-IBGZPJMESA-N -1 3 393.318 3.982 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c(Cl)c1 ZINC001142111515 1028143403 /nfs/dbraw/zinc/14/34/03/1028143403.db2.gz OEXCEDYRECHYCH-LIRRHRJNSA-N -1 3 395.286 3.906 20 0 GHADHM O=S(=O)([N-][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC001213450673 1028198753 /nfs/dbraw/zinc/19/87/53/1028198753.db2.gz HCRUCLNIYFOYKF-XHDPSFHLSA-N -1 3 397.846 3.842 20 0 GHADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]CC(F)(F)c1cc(F)cc(F)c1 ZINC001213566325 1028272087 /nfs/dbraw/zinc/27/20/87/1028272087.db2.gz VVLCSMMPCBWKSG-UHFFFAOYSA-N -1 3 398.381 3.892 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC001213679736 1028326134 /nfs/dbraw/zinc/32/61/34/1028326134.db2.gz HMMPEPWDRKXZHR-HNNXBMFYSA-N -1 3 395.427 3.698 20 0 GHADHM O=S(=O)([N-]CC1(Br)CC1)c1cc2cc(Cl)ccc2s1 ZINC001213799547 1028383296 /nfs/dbraw/zinc/38/32/96/1028383296.db2.gz JKPCCCAZFAYCTR-UHFFFAOYSA-N -1 3 380.716 3.761 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(C)CCOc2ccccc21 ZINC001213834351 1028397337 /nfs/dbraw/zinc/39/73/37/1028397337.db2.gz FOTGEFAMKBXCLK-LJQANCHMSA-N -1 3 375.421 3.857 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)[C@H]2C[C@H]2C)ccc1F ZINC000841308255 1028400949 /nfs/dbraw/zinc/40/09/49/1028400949.db2.gz NWCRQPDOLWGRHA-KDOFPFPSSA-N -1 3 390.480 3.568 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCOC2)c1Cl ZINC001213929402 1028456983 /nfs/dbraw/zinc/45/69/83/1028456983.db2.gz WBOPYRIGLMMQPT-DOMZBBRYSA-N -1 3 378.321 3.785 20 0 GHADHM CC(=O)c1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c(Br)c1 ZINC001214087784 1028542598 /nfs/dbraw/zinc/54/25/98/1028542598.db2.gz PWTGRQDCGWCLMT-UHFFFAOYSA-N -1 3 378.157 3.608 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000841817069 1028964510 /nfs/dbraw/zinc/96/45/10/1028964510.db2.gz FQDSJIKFDPGRCH-LBPRGKRZSA-N -1 3 389.805 3.967 20 0 GHADHM COc1cc(I)ccc1-c1noc(-c2ccccc2[O-])n1 ZINC001215142309 1029055690 /nfs/dbraw/zinc/05/56/90/1029055690.db2.gz XACUKLIXXSNECT-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM COc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)cc(OC)c1[O-] ZINC001215210752 1029091570 /nfs/dbraw/zinc/09/15/70/1029091570.db2.gz LSWQFAMQWCZAQR-UHFFFAOYSA-N -1 3 376.372 3.583 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)ccc2I)c1 ZINC001142603974 1029135432 /nfs/dbraw/zinc/13/54/32/1029135432.db2.gz OKPGUZCACYQFMJ-UHFFFAOYSA-N -1 3 397.212 3.820 20 0 GHADHM CN(C)c1ccc(Br)cc1-c1noc(-c2c([O-])cccc2O)n1 ZINC001215301936 1029139669 /nfs/dbraw/zinc/13/96/69/1029139669.db2.gz LIRWETSCPSAUQU-UHFFFAOYSA-N -1 3 376.210 3.643 20 0 GHADHM CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc(C)cc3[O-])ccc21 ZINC001142616904 1029162221 /nfs/dbraw/zinc/16/22/21/1029162221.db2.gz DKROGGDKXPXULT-UHFFFAOYSA-N -1 3 379.460 3.776 20 0 GHADHM [O-]c1cc(F)c(Nc2cncnc2[C@H]2CN(Cc3ccccc3)CCO2)cc1F ZINC001215569656 1029287301 /nfs/dbraw/zinc/28/73/01/1029287301.db2.gz BHBBGPSVIOQPMR-HXUWFJFHSA-N -1 3 398.413 3.778 20 0 GHADHM CN1CCN(Cc2cccc(Nc3ccc(Cl)c(C(=O)[O-])c3F)c2)CC1 ZINC001215697540 1029354711 /nfs/dbraw/zinc/35/47/11/1029354711.db2.gz CKMONEAQWQSPAI-UHFFFAOYSA-N -1 3 377.847 3.668 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC)c(C(C)C)c1)OCC ZINC001216000861 1029486024 /nfs/dbraw/zinc/48/60/24/1029486024.db2.gz VIWPYAFEAISQKO-UHFFFAOYSA-N -1 3 375.469 3.999 20 0 GHADHM Clc1ccnc2c(-c3noc(-c4ccccc4-c4nnn[n-]4)n3)cccc12 ZINC001216014642 1029493065 /nfs/dbraw/zinc/49/30/65/1029493065.db2.gz RWPSISYCLQBNMF-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2c(-c3noc(-c4ccccc4-c4nn[n-]n4)n3)cccc12 ZINC001216014642 1029493073 /nfs/dbraw/zinc/49/30/73/1029493073.db2.gz RWPSISYCLQBNMF-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)c2)n1 ZINC000842724697 1029536347 /nfs/dbraw/zinc/53/63/47/1029536347.db2.gz ZDVLHECTXUFAHF-KRWDZBQOSA-N -1 3 386.448 3.677 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)CCCC1CCOCC1 ZINC000842792217 1029591709 /nfs/dbraw/zinc/59/17/09/1029591709.db2.gz AXBMLCBOFPOJFA-UHFFFAOYSA-N -1 3 398.525 3.982 20 0 GHADHM Cc1cc(-c2noc(-c3c([O-])cc(O)cc3O)n2)c(Br)cc1F ZINC001216728694 1029907330 /nfs/dbraw/zinc/90/73/30/1029907330.db2.gz HMXFWSHHYGJMEX-UHFFFAOYSA-N -1 3 381.157 3.730 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001222224792 1030017681 /nfs/dbraw/zinc/01/76/81/1030017681.db2.gz WYDWGUNUOSGXDR-AWEZNQCLSA-N -1 3 387.238 3.713 20 0 GHADHM CCOc1cccc(-c2nc(-c3ccc4c(c3)CCCN4C(C)=O)no2)c1[O-] ZINC001216957753 1030029243 /nfs/dbraw/zinc/02/92/43/1030029243.db2.gz ZXGJQXDNOVDRJC-UHFFFAOYSA-N -1 3 379.416 3.807 20 0 GHADHM COc1cc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)ccc1Cl ZINC001216961556 1030034528 /nfs/dbraw/zinc/03/45/28/1030034528.db2.gz HKZMJDATLHCKLN-UHFFFAOYSA-N -1 3 385.807 3.650 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c(F)c1F ZINC001217019086 1030096342 /nfs/dbraw/zinc/09/63/42/1030096342.db2.gz JNEJLEOTEMSMMS-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM CCOC(=O)c1sc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1C ZINC001149480501 1030188572 /nfs/dbraw/zinc/18/85/72/1030188572.db2.gz OCSVVQYVXQPMEV-UHFFFAOYSA-N -1 3 392.383 3.605 20 0 GHADHM CC(C)N1CCN(c2ccc(-c3cc(C(=O)[O-])cc(C(F)(F)F)c3)cn2)CC1 ZINC001222610597 1030233937 /nfs/dbraw/zinc/23/39/37/1030233937.db2.gz OVXYRHMHNXWALL-UHFFFAOYSA-N -1 3 393.409 3.996 20 0 GHADHM CCCCCCOc1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1OC ZINC001149672059 1030265479 /nfs/dbraw/zinc/26/54/79/1030265479.db2.gz QKDKYWRFQWLXPA-UHFFFAOYSA-N -1 3 385.464 3.614 20 0 GHADHM COc1cnc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c(Br)c1 ZINC001217322958 1030308643 /nfs/dbraw/zinc/30/86/43/1030308643.db2.gz KEWCNYWOZWLAME-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM Cc1ccc(Br)c(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)c1 ZINC001217355120 1030330899 /nfs/dbraw/zinc/33/08/99/1030330899.db2.gz POCFMIYUNVXCDB-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cccc4nccc(Cl)c43)no2)C1=O ZINC001217354299 1030332186 /nfs/dbraw/zinc/33/21/86/1030332186.db2.gz DFYNNMOIKOBTTL-UHFFFAOYSA-N -1 3 376.759 3.740 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(C)c(OC)c(C)c4)no3)c21 ZINC001217512441 1030454766 /nfs/dbraw/zinc/45/47/66/1030454766.db2.gz MQGBSDWJYSUIMS-UHFFFAOYSA-N -1 3 378.388 3.692 20 0 GHADHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)CC1=O ZINC001150365470 1030507113 /nfs/dbraw/zinc/50/71/13/1030507113.db2.gz BICVSKSXVHGGLF-ZBFHGGJFSA-N -1 3 384.451 3.714 20 0 GHADHM O=C(N[C@H]1CCCc2cccnc21)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476807 1030539538 /nfs/dbraw/zinc/53/95/38/1030539538.db2.gz IVZCEOXROBCQCE-INIZCTEOSA-N -1 3 387.361 3.749 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1c2ccccc2nc2c1CCCC2 ZINC001150703008 1030618075 /nfs/dbraw/zinc/61/80/75/1030618075.db2.gz UGBNOFZPROUWAL-UHFFFAOYSA-N -1 3 386.411 3.720 20 0 GHADHM Cc1c2occ(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c2ccc1Cl ZINC001151183946 1030796153 /nfs/dbraw/zinc/79/61/53/1030796153.db2.gz AQRKLJOTTMWTOM-NSHDSACASA-N -1 3 396.871 3.898 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccn2c(C)c(C)nc12 ZINC001151367012 1030880523 /nfs/dbraw/zinc/88/05/23/1030880523.db2.gz SODDXYAHTSDKIZ-UHFFFAOYSA-N -1 3 376.416 3.861 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc2c(c1C)OCCO2 ZINC001151374793 1030885216 /nfs/dbraw/zinc/88/52/16/1030885216.db2.gz YKGCRJUITJEULR-UHFFFAOYSA-N -1 3 380.400 3.677 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001151754262 1030992497 /nfs/dbraw/zinc/99/24/97/1030992497.db2.gz UOMANJJMNNNXBY-SECBINFHSA-N -1 3 383.206 3.830 20 0 GHADHM Cc1c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)sc2nc3n(c(=O)c12)CCC3 ZINC001152237912 1031156207 /nfs/dbraw/zinc/15/62/07/1031156207.db2.gz PSFRIEHKACGUGX-UHFFFAOYSA-N -1 3 397.353 3.521 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cc3ccccc3nc2Cl)n[n-]1)c1ccccc1 ZINC001152404638 1031221969 /nfs/dbraw/zinc/22/19/69/1031221969.db2.gz PJVYZOJZWFWNCF-UHFFFAOYSA-N -1 3 391.818 3.684 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1cccc2c1[N-]C(=O)C2=O ZINC001152450820 1031247683 /nfs/dbraw/zinc/24/76/83/1031247683.db2.gz SBUWGPGRKMPMRS-UHFFFAOYSA-N -1 3 386.411 3.662 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)CCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001219168655 1031283920 /nfs/dbraw/zinc/28/39/20/1031283920.db2.gz MHQPIGSSRSOBNO-VIFPVBQESA-N -1 3 381.358 3.615 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C(C)C)c1 ZINC001152612147 1031303099 /nfs/dbraw/zinc/30/30/99/1031303099.db2.gz IEXQBIHGBCJTIE-SFHVURJKSA-N -1 3 385.464 3.982 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1nc2c(cccc2F)s1 ZINC001152624943 1031306735 /nfs/dbraw/zinc/30/67/35/1031306735.db2.gz HPEIPFFQZXNCOB-UHFFFAOYSA-N -1 3 375.381 3.730 20 0 GHADHM CCc1nc2ccc(NC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)cc2s1 ZINC001219262632 1031332065 /nfs/dbraw/zinc/33/20/65/1031332065.db2.gz GPOSKYOODLIDKT-SSDOTTSWSA-N -1 3 384.387 3.878 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](c2noc(C)n2)c2ccc(Cl)cc2)c1 ZINC001152836129 1031373903 /nfs/dbraw/zinc/37/39/03/1031373903.db2.gz HZOIBFVEWXSEPY-INIZCTEOSA-N -1 3 389.864 3.978 20 0 GHADHM COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2OC)c(Br)c1 ZINC001152895247 1031389321 /nfs/dbraw/zinc/38/93/21/1031389321.db2.gz BWEWFAHWUJIJIY-JTQLQIEISA-N -1 3 380.238 3.663 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852783 1031653062 /nfs/dbraw/zinc/65/30/62/1031653062.db2.gz LEEONTJHIAOSSN-BBBLOLIVSA-N -1 3 391.415 3.561 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](CC)c1ccc(Br)cc1 ZINC001225899843 1031685268 /nfs/dbraw/zinc/68/52/68/1031685268.db2.gz RYJHAXSQLOLXMM-CYBMUJFWSA-N -1 3 381.226 3.652 20 0 GHADHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1cnc2cccnc2c1[O-] ZINC001153857865 1031775772 /nfs/dbraw/zinc/77/57/72/1031775772.db2.gz OQDLXEZDIYIMHL-UHFFFAOYSA-N -1 3 396.450 3.691 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2cnc3cccnc3c2[O-])c2ccccc2)cc1 ZINC001153862558 1031777722 /nfs/dbraw/zinc/77/77/22/1031777722.db2.gz YVVUXPHFVSBEBS-NRFANRHFSA-N -1 3 383.451 3.945 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3[n-]c(=S)ncc3C3CC3)[C@H]2C1 ZINC001226125849 1031801075 /nfs/dbraw/zinc/80/10/75/1031801075.db2.gz YVYSGHSNFWMMTI-AEGPPILISA-N -1 3 377.510 3.667 20 0 GHADHM Nc1cc(F)c(Br)cc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154027907 1031884758 /nfs/dbraw/zinc/88/47/58/1031884758.db2.gz HJZBWIRFGDEVOT-UHFFFAOYSA-N -1 3 391.196 3.987 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCC[C@@H]3c3cc4ccccc4[nH]3)[n-]c2c1 ZINC001154116095 1031936004 /nfs/dbraw/zinc/93/60/04/1031936004.db2.gz XFKJVVXCMCRVCK-OAQYLSRUSA-N -1 3 387.439 3.995 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ncc(-c4ccccc4)s3)[n-]nc21 ZINC001154141174 1031948077 /nfs/dbraw/zinc/94/80/77/1031948077.db2.gz ABYBBOUYHOWXBE-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ncc(-c4ccccc4)s3)n[n-]c21 ZINC001154141174 1031948087 /nfs/dbraw/zinc/94/80/87/1031948087.db2.gz ABYBBOUYHOWXBE-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)[N-]c1n[nH]c(-c2ccncc2)n1 ZINC001154189552 1031975927 /nfs/dbraw/zinc/97/59/27/1031975927.db2.gz YZHVIVGNWHGWMG-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc12 ZINC001226536629 1032001234 /nfs/dbraw/zinc/00/12/34/1032001234.db2.gz XTAMSNNXLMOFEM-KBPBESRZSA-N -1 3 389.448 3.974 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1[O-] ZINC001156956511 1033339876 /nfs/dbraw/zinc/33/98/76/1033339876.db2.gz NDCMEXCGXXMCLL-JTQLQIEISA-N -1 3 385.807 3.789 20 0 GHADHM COC[C@H](C)OC[C@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267141 1033380179 /nfs/dbraw/zinc/38/01/79/1033380179.db2.gz IZKQMDNIAANMDU-GJZGRUSLSA-N -1 3 384.428 3.984 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157232742 1033483938 /nfs/dbraw/zinc/48/39/38/1033483938.db2.gz FISYMSMMFKGWHS-VXGBXAGGSA-N -1 3 384.402 3.983 20 0 GHADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H]3C=CO[C@@H]4COC(C)(C)O[C@@H]34)c2)cc1 ZINC001229537819 1033547046 /nfs/dbraw/zinc/54/70/46/1033547046.db2.gz MZLOYXRUVNYVRJ-UZKOGDIHSA-N -1 3 396.439 3.743 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(C)(C)C1 ZINC001157477347 1033611838 /nfs/dbraw/zinc/61/18/38/1033611838.db2.gz KXCFFJAEXLGSPK-QGZVFWFLSA-N -1 3 394.487 3.616 20 0 GHADHM CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC001157492930 1033619540 /nfs/dbraw/zinc/61/95/40/1033619540.db2.gz RTCYDJHPTOXYET-HXUWFJFHSA-N -1 3 380.488 3.806 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc3occc32)no1 ZINC001206059868 1033703072 /nfs/dbraw/zinc/70/30/72/1033703072.db2.gz IDTBZFYERPFSJV-ZDUSSCGKSA-N -1 3 383.429 3.663 20 0 GHADHM Cc1cc(F)cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c1F ZINC001206059651 1033703287 /nfs/dbraw/zinc/70/32/87/1033703287.db2.gz FFSIYRUMWRROOU-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM CCC[C@H](Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1)C(=O)OCC ZINC001230128965 1033911991 /nfs/dbraw/zinc/91/19/91/1033911991.db2.gz BUBLFPCAULCJIO-HNNXBMFYSA-N -1 3 376.478 3.782 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001158103099 1033915937 /nfs/dbraw/zinc/91/59/37/1033915937.db2.gz QUAWMKUTYFLQCO-OAHLLOKOSA-N -1 3 399.390 3.777 20 0 GHADHM Cc1cnc(F)c([C@@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)c1 ZINC001230185807 1033935033 /nfs/dbraw/zinc/93/50/33/1033935033.db2.gz JADXHYLLTDMUGU-OAHLLOKOSA-N -1 3 394.450 3.723 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@H](C)Cc2cccc(Cl)c2)c([O-])c(OC)c1 ZINC001158246686 1033985399 /nfs/dbraw/zinc/98/53/99/1033985399.db2.gz WIXXVWFWFLOUJB-LLVKDONJSA-N -1 3 377.824 3.658 20 0 GHADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158345573 1034036135 /nfs/dbraw/zinc/03/61/35/1034036135.db2.gz MQNOLZDRPAAETH-DNVCBOLYSA-N -1 3 389.402 3.921 20 0 GHADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158345573 1034036152 /nfs/dbraw/zinc/03/61/52/1034036152.db2.gz MQNOLZDRPAAETH-DNVCBOLYSA-N -1 3 389.402 3.921 20 0 GHADHM CN(C)C(=O)Nc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001158352189 1034038448 /nfs/dbraw/zinc/03/84/48/1034038448.db2.gz PALUZXXIOHXZRS-UHFFFAOYSA-N -1 3 378.226 3.501 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)c2ccccn2)c1 ZINC001158364981 1034045553 /nfs/dbraw/zinc/04/55/53/1034045553.db2.gz AUXRKODZLHUGJY-FQEVSTJZSA-N -1 3 387.439 3.626 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1[n-]c(=O)nc2c1SCC2)c1ccccc1 ZINC001230789729 1034226839 /nfs/dbraw/zinc/22/68/39/1034226839.db2.gz DGFGNDWAELABEZ-KRWDZBQOSA-N -1 3 394.452 3.694 20 0 GHADHM Cc1nc2ccccc2c(C)c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158792588 1034272351 /nfs/dbraw/zinc/27/23/51/1034272351.db2.gz GMOKEJDWEBZNPC-WKILWMFISA-N -1 3 376.460 3.803 20 0 GHADHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231088337 1034389497 /nfs/dbraw/zinc/38/94/97/1034389497.db2.gz NUGINKQXBJBTIM-CHWSQXEVSA-N -1 3 389.876 3.606 20 0 GHADHM Cc1ccc(O[C@H](C)C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(Br)c1 ZINC001159063139 1034408189 /nfs/dbraw/zinc/40/81/89/1034408189.db2.gz FUCMMHPRIWBFQA-SNVBAGLBSA-N -1 3 390.237 3.745 20 0 GHADHM Cc1nc2scc(-c3cccs3)c2c(Nc2[n-]c(=O)nc3[nH]cnc32)n1 ZINC001159199396 1034478059 /nfs/dbraw/zinc/47/80/59/1034478059.db2.gz KTZGCNMNPHIDTQ-UHFFFAOYSA-N -1 3 381.446 3.844 20 0 GHADHM C[C@@H](NCc1c(F)ccc(C2OCCO2)c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001207666127 1034517942 /nfs/dbraw/zinc/51/79/42/1034517942.db2.gz UYMKZNWXAAHYQN-SSDOTTSWSA-N -1 3 394.756 3.512 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc(-n4cccc4)nc3)n[n-]2)cc1 ZINC001159363369 1034564477 /nfs/dbraw/zinc/56/44/77/1034564477.db2.gz DQZGPDATZLPGJH-UHFFFAOYSA-N -1 3 390.472 3.843 20 0 GHADHM Cc1cc2cc(NC(=O)c3cc([O-])cc(Br)c3)ccc2n(C)c1=O ZINC001159397091 1034580832 /nfs/dbraw/zinc/58/08/32/1034580832.db2.gz PKDKCVBAPOXCMH-UHFFFAOYSA-N -1 3 387.233 3.567 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc([N-]c2nc3cccc(C(F)(F)F)n3n2)cn1 ZINC001159417357 1034590164 /nfs/dbraw/zinc/59/01/64/1034590164.db2.gz XJGZQDVGARYFLL-UHFFFAOYSA-N -1 3 395.345 3.629 20 0 GHADHM [O-]c1ccc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cc1C(F)(F)F ZINC001231522692 1034673265 /nfs/dbraw/zinc/67/32/65/1034673265.db2.gz RSDYBUBLNZJVOM-INIZCTEOSA-N -1 3 395.425 3.666 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523651 1034674951 /nfs/dbraw/zinc/67/49/51/1034674951.db2.gz UBDBPGVPXJAUQV-ZFWWWQNUSA-N -1 3 386.414 3.852 20 0 GHADHM COc1cccc(O[C@@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)n1 ZINC001231525549 1034679383 /nfs/dbraw/zinc/67/93/83/1034679383.db2.gz ACFVWTZURHXQRK-CQSZACIVSA-N -1 3 382.382 3.858 20 0 GHADHM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231528022 1034681106 /nfs/dbraw/zinc/68/11/06/1034681106.db2.gz WWJPQSQGAIGIAL-QZTJIDSGSA-N -1 3 395.377 3.526 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)c1c(Cl)ccc(I)c1F ZINC001159862596 1034767003 /nfs/dbraw/zinc/76/70/03/1034767003.db2.gz YNRBYDOPWLALDA-SSDOTTSWSA-N -1 3 385.604 3.791 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)c(F)c1F ZINC001208192922 1034788633 /nfs/dbraw/zinc/78/86/33/1034788633.db2.gz FFNSRMCXNMOCAW-UHFFFAOYSA-N -1 3 381.322 3.650 20 0 GHADHM CC[C@H](C)N1CC[C@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277547331 1034816719 /nfs/dbraw/zinc/81/67/19/1034816719.db2.gz FPVAAZPNHUUECX-SCLBCKFNSA-N -1 3 381.314 3.520 20 0 GHADHM CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231679114 1034829962 /nfs/dbraw/zinc/82/99/62/1034829962.db2.gz WTHCHURZIXHKHD-NRFANRHFSA-N -1 3 380.488 3.933 20 0 GHADHM CCCCC1CCC([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1 ZINC001208490706 1034913705 /nfs/dbraw/zinc/91/37/05/1034913705.db2.gz YNMHQYXZFLVGJZ-UHFFFAOYSA-N -1 3 385.501 3.948 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(NC(=O)NC(C)C)cc3)c(=O)c2c1 ZINC001160478374 1034986591 /nfs/dbraw/zinc/98/65/91/1034986591.db2.gz BCSJRVYOVYJXOU-UHFFFAOYSA-N -1 3 378.432 3.619 20 0 GHADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)C(F)(F)c1cc(F)cc(F)c1 ZINC001160821080 1035072647 /nfs/dbraw/zinc/07/26/47/1035072647.db2.gz DOCHNCWQLCOYLI-UHFFFAOYSA-N -1 3 386.255 3.759 20 0 GHADHM CCc1ccc(CN2CCN(C(=O)NCc3ccc([O-])c(Cl)c3)CC2)s1 ZINC001248411190 1035826954 /nfs/dbraw/zinc/82/69/54/1035826954.db2.gz NBIROXNYGUXYNE-UHFFFAOYSA-N -1 3 393.940 3.697 20 0 GHADHM O=C([O-])c1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc1C(F)(F)F ZINC001243157437 1036049819 /nfs/dbraw/zinc/04/98/19/1036049819.db2.gz QXBPXMOHBDKFBI-GOSISDBHSA-N -1 3 390.361 3.984 20 0 GHADHM COC(=O)c1nc2nc(C3=CC[C@@H](OC(=O)c4ccccc4)CC3)ccc2[n-]1 ZINC001244805499 1036655256 /nfs/dbraw/zinc/65/52/56/1036655256.db2.gz QVFVJQDVKYYSBT-OAHLLOKOSA-N -1 3 377.400 3.537 20 0 GHADHM COC(=O)c1nc2ccc(C3=CC[C@@H](OC(=O)c4ccccc4)CC3)nc2[n-]1 ZINC001244805499 1036655280 /nfs/dbraw/zinc/65/52/80/1036655280.db2.gz QVFVJQDVKYYSBT-OAHLLOKOSA-N -1 3 377.400 3.537 20 0 GHADHM CCOC(=O)c1ccccc1NC(=S)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001245379935 1036902286 /nfs/dbraw/zinc/90/22/86/1036902286.db2.gz PGAWTOITWMNHRB-UHFFFAOYSA-N -1 3 382.445 3.564 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CC(C)(C)c2ccccc2)s1 ZINC001462213705 1070088250 /nfs/dbraw/zinc/08/82/50/1070088250.db2.gz ZTRGSEVHLBRYMM-UHFFFAOYSA-N -1 3 395.550 3.526 20 0 GHADHM CCOc1ccc(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)c(F)c1F ZINC001247266255 1038045984 /nfs/dbraw/zinc/04/59/84/1038045984.db2.gz WKHVQWKFAVRJOX-UHFFFAOYSA-N -1 3 380.738 3.714 20 0 GHADHM CCCCc1ccc(-c2ccc(-c3noc([C@@H](N)Cc4nnn[n-]4)n3)cc2)cc1 ZINC001247302355 1038088518 /nfs/dbraw/zinc/08/85/18/1038088518.db2.gz LMCANCIGMCDKID-SFHVURJKSA-N -1 3 389.463 3.502 20 0 GHADHM CCCCc1ccc(-c2ccc(-c3noc([C@@H](N)Cc4nn[n-]n4)n3)cc2)cc1 ZINC001247302355 1038088542 /nfs/dbraw/zinc/08/85/42/1038088542.db2.gz LMCANCIGMCDKID-SFHVURJKSA-N -1 3 389.463 3.502 20 0 GHADHM O=C(c1cscn1)N1CCC2(C1)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001232786722 1038553075 /nfs/dbraw/zinc/55/30/75/1038553075.db2.gz BQIMOIWEJXWIJE-UHFFFAOYSA-N -1 3 391.924 3.630 20 0 GHADHM [O-]c1ccc(CN2CCC(c3cccnc3)CC2)cc1I ZINC001232870074 1038636514 /nfs/dbraw/zinc/63/65/14/1038636514.db2.gz MUSNJJXEIHEGOD-UHFFFAOYSA-N -1 3 394.256 3.771 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1 ZINC001232934951 1038715052 /nfs/dbraw/zinc/71/50/52/1038715052.db2.gz AUCDOCIZACJISZ-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM CCOC(=O)[C@H]1CCN(Cc2ccc(F)c([O-])c2F)C[C@H]1c1ccccc1 ZINC001232936639 1038716700 /nfs/dbraw/zinc/71/67/00/1038716700.db2.gz FHQATHMUUHBLTH-IRXDYDNUSA-N -1 3 375.415 3.839 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232936174 1038716904 /nfs/dbraw/zinc/71/69/04/1038716904.db2.gz QUMKQSQSGVXHAP-JOCHJYFZSA-N -1 3 384.426 3.571 20 0 GHADHM CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232971502 1038743684 /nfs/dbraw/zinc/74/36/84/1038743684.db2.gz DKQZSCBZGRPNNN-MRXNPFEDSA-N -1 3 392.446 3.519 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232976601 1038746079 /nfs/dbraw/zinc/74/60/79/1038746079.db2.gz YZXQDYABMTZWCD-PKOBYXMFSA-N -1 3 375.415 3.982 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc([O-])c2F)C[C@H]1C(F)(F)F ZINC001233054117 1038813795 /nfs/dbraw/zinc/81/37/95/1038813795.db2.gz CPSHORFDJIYBAT-OLZOCXBDSA-N -1 3 392.393 3.809 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331625 1039127682 /nfs/dbraw/zinc/12/76/82/1039127682.db2.gz DNKWQZFHVFUNPJ-UHFFFAOYSA-N -1 3 386.495 3.941 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001252816008 1039185545 /nfs/dbraw/zinc/18/55/45/1039185545.db2.gz OTPRUQWZBWDOKY-UHFFFAOYSA-N -1 3 386.408 3.791 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233394888 1039226456 /nfs/dbraw/zinc/22/64/56/1039226456.db2.gz DRODZJCRLFTJSO-QFIPXVFZSA-N -1 3 384.426 3.571 20 0 GHADHM Cc1cccc(N2CCC[C@]3(CN(Cc4c(F)ccc([O-])c4F)CCO3)C2)c1 ZINC001233394306 1039227256 /nfs/dbraw/zinc/22/72/56/1039227256.db2.gz JLPFPRIQBZOQLZ-QFIPXVFZSA-N -1 3 388.458 3.850 20 0 GHADHM O=C1CCC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)N1Cc1ccccc1 ZINC001233395062 1039231348 /nfs/dbraw/zinc/23/13/48/1039231348.db2.gz KNLDJQVOSTXIGB-UHFFFAOYSA-N -1 3 386.442 3.828 20 0 GHADHM COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(Cl)c1[O-] ZINC001233400260 1039240037 /nfs/dbraw/zinc/24/00/37/1039240037.db2.gz BHJBPGCZEIZUSK-JSGCOSHPSA-N -1 3 384.904 3.932 20 0 GHADHM COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c(Cl)c1[O-] ZINC001233401048 1039240178 /nfs/dbraw/zinc/24/01/78/1039240178.db2.gz KCSPRFRVHOIERE-GXTWGEPZSA-N -1 3 384.904 3.789 20 0 GHADHM COc1ccc(CN2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(Cl)c1[O-] ZINC001233400657 1039240241 /nfs/dbraw/zinc/24/02/41/1039240241.db2.gz SEKPYSIABBUOCL-JTQLQIEISA-N -1 3 391.777 3.836 20 0 GHADHM COc1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(Cl)c1[O-] ZINC001233401786 1039243144 /nfs/dbraw/zinc/24/31/44/1039243144.db2.gz NQFQZPLMCLCJSS-MRXNPFEDSA-N -1 3 392.858 3.588 20 0 GHADHM Cc1nnc(CNC(=O)c2nc(C)c3cc(Oc4ccccc4)ccc3c2[O-])o1 ZINC001253416316 1039611256 /nfs/dbraw/zinc/61/12/56/1039611256.db2.gz VIIQMEJHKKCRCU-UHFFFAOYSA-N -1 3 390.399 3.663 20 0 GHADHM [O-]c1ccc(I)c(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253589498 1039713352 /nfs/dbraw/zinc/71/33/52/1039713352.db2.gz RHALWPBALBNACT-UHFFFAOYSA-N -1 3 378.169 3.638 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OC3COC3)c(F)c2)c1C ZINC001254160198 1040014217 /nfs/dbraw/zinc/01/42/17/1040014217.db2.gz HSGNQRBGNUGXSL-UHFFFAOYSA-N -1 3 379.453 3.638 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)C(=O)NC3)c1C ZINC001254166762 1040019804 /nfs/dbraw/zinc/01/98/04/1040019804.db2.gz KZTTXMYSNHRFRW-UHFFFAOYSA-N -1 3 386.517 3.628 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)[C@@H](F)C1 ZINC001234688032 1040219468 /nfs/dbraw/zinc/21/94/68/1040219468.db2.gz CWQCDCOFGLUAAB-GJZGRUSLSA-N -1 3 389.427 3.576 20 0 GHADHM CCOC(=O)[C@@H]1C[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)c2ccccc2O1 ZINC001234691423 1040224656 /nfs/dbraw/zinc/22/46/56/1040224656.db2.gz IONAOROSQYMEHM-MSOLQXFVSA-N -1 3 392.411 3.684 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(I)ccc1F ZINC001254619893 1040391569 /nfs/dbraw/zinc/39/15/69/1040391569.db2.gz YMKSCAUWENSUOK-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)C(F)(F)F)cc1 ZINC001255089736 1040775146 /nfs/dbraw/zinc/77/51/46/1040775146.db2.gz DQUOFGVHYWTGKA-UHFFFAOYSA-N -1 3 375.343 3.934 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC001255281108 1040937620 /nfs/dbraw/zinc/93/76/20/1040937620.db2.gz JLUOKYZBAPIUEM-UHFFFAOYSA-N -1 3 385.283 3.777 20 0 GHADHM O=S(=O)([N-]c1c(Br)ncc2ccccc21)c1ccccc1F ZINC001255410619 1041003726 /nfs/dbraw/zinc/00/37/26/1041003726.db2.gz BUFQGISRYRHFQP-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)c(I)c1 ZINC001255482889 1041079288 /nfs/dbraw/zinc/07/92/88/1041079288.db2.gz AXSBFCAWSSOAPO-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C(F)(F)F)c(C)cc1Cl ZINC001256211288 1041650332 /nfs/dbraw/zinc/65/03/32/1041650332.db2.gz IEOFNLVVACXOIH-CQSZACIVSA-N -1 3 378.803 3.934 20 0 GHADHM [O-]c1cc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)ccc1Br ZINC001236683272 1041828944 /nfs/dbraw/zinc/82/89/44/1041828944.db2.gz DONNFSBDCDMUEW-INIZCTEOSA-N -1 3 396.325 3.705 20 0 GHADHM O=C(NC1CCN(Cc2ccc(F)c([O-])c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001236713536 1041850044 /nfs/dbraw/zinc/85/00/44/1041850044.db2.gz NVOODGOYKQRKCZ-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237007179 1041987913 /nfs/dbraw/zinc/98/79/13/1041987913.db2.gz NCYVDHGZSMSQHU-IBGZPJMESA-N -1 3 399.466 3.903 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])cc(F)c2)[C@@H](C(F)(F)F)C1 ZINC001237287404 1042125150 /nfs/dbraw/zinc/12/51/50/1042125150.db2.gz RBPHOVWKEJQYHE-CQSZACIVSA-N -1 3 378.366 3.515 20 0 GHADHM O=S(=O)([N-]c1cnc2c(c1)CNCC2)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001237475623 1042225221 /nfs/dbraw/zinc/22/52/21/1042225221.db2.gz JBLAKUAMWIBVAS-UHFFFAOYSA-N -1 3 399.903 3.849 20 0 GHADHM CC[NH2+]Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001237796162 1042375106 /nfs/dbraw/zinc/37/51/06/1042375106.db2.gz UNPMPKIXLBBXGJ-UHFFFAOYSA-N -1 3 375.277 3.609 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@H]2C1 ZINC001237998671 1042451193 /nfs/dbraw/zinc/45/11/93/1042451193.db2.gz VPSPYTFZKHGTSR-KGLIPLIRSA-N -1 3 384.879 3.874 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238232252 1042527129 /nfs/dbraw/zinc/52/71/29/1042527129.db2.gz BKFSYWPRRSRIEZ-OAQYLSRUSA-N -1 3 392.471 3.889 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccc(F)cc2C(=O)[O-])C2CC2)C1 ZINC001238240050 1042529385 /nfs/dbraw/zinc/52/93/85/1042529385.db2.gz CLKAUQABSJQLKS-QGZVFWFLSA-N -1 3 392.471 3.888 20 0 GHADHM [O-]c1ccc(Br)c(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1F ZINC001238311309 1042552069 /nfs/dbraw/zinc/55/20/69/1042552069.db2.gz MDMSNIHBNSZGFJ-ZIAGYGMSSA-N -1 3 391.284 3.862 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN[C@@H]1c1ccccc1)c1cc(Cl)c(Cl)s1 ZINC001238719331 1042700439 /nfs/dbraw/zinc/70/04/39/1042700439.db2.gz IZAGZZKMTTWQHG-GXTWGEPZSA-N -1 3 391.345 3.827 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001239116357 1042767426 /nfs/dbraw/zinc/76/74/26/1042767426.db2.gz YXRWDGKEDMXLKC-UHFFFAOYSA-N -1 3 391.440 3.528 20 0 GHADHM O=C(NCc1ccco1)c1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001240034379 1042872365 /nfs/dbraw/zinc/87/23/65/1042872365.db2.gz OEQNLSVAHMCCCU-UHFFFAOYSA-N -1 3 379.363 3.974 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC(F)(F)CC1 ZINC001256554648 1043522468 /nfs/dbraw/zinc/52/24/68/1043522468.db2.gz DJZOGXYWRARKIW-UHFFFAOYSA-N -1 3 387.901 3.912 20 0 GHADHM CN(CCCCNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001291960682 1043548297 /nfs/dbraw/zinc/54/82/97/1043548297.db2.gz NFQJBWMGUJGHES-UHFFFAOYSA-N -1 3 377.282 3.801 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(CCCOCc2ccccc2)CC1 ZINC001292432611 1043731927 /nfs/dbraw/zinc/73/19/27/1043731927.db2.gz IQXVDXNQUNIOOY-UHFFFAOYSA-N -1 3 377.448 3.582 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(CCCOCc2ccccc2)CC1 ZINC001292432611 1043731939 /nfs/dbraw/zinc/73/19/39/1043731939.db2.gz IQXVDXNQUNIOOY-UHFFFAOYSA-N -1 3 377.448 3.582 20 0 GHADHM O=c1cc(-c2nnc(-c3ccc(Cn4cc(Cl)cn4)cc3)o2)nc(C2CC2)[n-]1 ZINC001257161094 1043907618 /nfs/dbraw/zinc/90/76/18/1043907618.db2.gz DGQLMZVAYSFTNE-UHFFFAOYSA-N -1 3 394.822 3.675 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)n1)c1cccc(Cl)c1Cl ZINC001257284923 1043957279 /nfs/dbraw/zinc/95/72/79/1043957279.db2.gz ZGLKALSTIJPKPF-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COc1cccc(-c2nnc(-c3cccc(Cn4nc(C)cc4C)c3)o2)c1[O-] ZINC001257410518 1043991221 /nfs/dbraw/zinc/99/12/21/1043991221.db2.gz LGMNOJGTKIJRTQ-UHFFFAOYSA-N -1 3 376.416 3.979 20 0 GHADHM COc1ncccc1[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C1CC1 ZINC001257536928 1044034729 /nfs/dbraw/zinc/03/47/29/1044034729.db2.gz WMTUAEQFLYZRMY-GFCCVEGCSA-N -1 3 393.317 3.888 20 0 GHADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC001257790312 1044174471 /nfs/dbraw/zinc/17/44/71/1044174471.db2.gz FWKUGHVGMFCIAQ-UHFFFAOYSA-N -1 3 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Cc1nc(-c2nnc(N3CC[C@H](c4ccccc4)[C@@H]3C)n2CC(C)C)cc(=O)[n-]1 ZINC001342936405 1053444452 /nfs/dbraw/zinc/44/44/52/1053444452.db2.gz LKLNFRIAJCJLSU-YJBOKZPZSA-N -1 3 392.507 3.788 20 0 GHADHM Cc1cc2oc(=O)cc(COC(=O)CCc3c(C)nc[n-]c3=O)c2cc1C(C)C ZINC001317863969 1054282866 /nfs/dbraw/zinc/28/28/66/1054282866.db2.gz WMBLUHPJSCWEKN-UHFFFAOYSA-N -1 3 396.443 3.705 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1CO ZINC001318027227 1054358728 /nfs/dbraw/zinc/35/87/28/1054358728.db2.gz YHSCVUQOJIOBRE-UHFFFAOYSA-N -1 3 377.506 3.984 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cnn(CC)c3)nc(=O)c2c1C ZINC001318425036 1054630930 /nfs/dbraw/zinc/63/09/30/1054630930.db2.gz INAFNPCSAPQBKG-WDZFZDKYSA-N -1 3 392.868 3.835 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1nnc2ccccc2c1[O-] ZINC001318452459 1054650017 /nfs/dbraw/zinc/65/00/17/1054650017.db2.gz WYRLMLNUTCTONJ-UHFFFAOYSA-N -1 3 376.347 3.914 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001318486730 1054671909 /nfs/dbraw/zinc/67/19/09/1054671909.db2.gz VUAUHSFNRCGTGJ-OLZOCXBDSA-N -1 3 389.293 3.943 20 0 GHADHM O=C1CCCN1Cc1ccccc1NCc1cccc([O-])c1Br ZINC001345076549 1054889673 /nfs/dbraw/zinc/88/96/73/1054889673.db2.gz JZIVJEKLBASQDI-UHFFFAOYSA-N -1 3 375.266 3.889 20 0 GHADHM O=C([N-]C[C@@H]1CCC[C@@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC001345110062 1054906693 /nfs/dbraw/zinc/90/66/93/1054906693.db2.gz YCDABYMTCVQCNA-PSASIEDQSA-N -1 3 386.748 3.513 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001345201057 1054938350 /nfs/dbraw/zinc/93/83/50/1054938350.db2.gz HBQJLFSFXKFNDY-SFHVURJKSA-N -1 3 376.464 3.501 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC001319757677 1055449192 /nfs/dbraw/zinc/44/91/92/1055449192.db2.gz GRAMZKIJSHJUSY-NWDGAFQWSA-N -1 3 381.398 3.750 20 0 GHADHM CC(C)(C)n1cnc([N-]C(=O)c2csc(Cc3ccc(Cl)cc3)n2)n1 ZINC001320324464 1055753876 /nfs/dbraw/zinc/75/38/76/1055753876.db2.gz DTNCOKWHEGIPJF-UHFFFAOYSA-N -1 3 375.885 3.986 20 0 GHADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320697659 1055931886 /nfs/dbraw/zinc/93/18/86/1055931886.db2.gz NFMSQWIJBQBZFR-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)ccc1F ZINC001200510400 1056176180 /nfs/dbraw/zinc/17/61/80/1056176180.db2.gz ZHAONAVLKQGLTQ-UHFFFAOYSA-N -1 3 383.294 3.673 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001322031244 1056482047 /nfs/dbraw/zinc/48/20/47/1056482047.db2.gz YIWBSDFLVZJALX-UHFFFAOYSA-N -1 3 380.452 3.505 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)CCc3c(C)nc[n-]c3=O)cn2)c1C ZINC001322135318 1056534692 /nfs/dbraw/zinc/53/46/92/1056534692.db2.gz YUSOMWDGXIIALR-UHFFFAOYSA-N -1 3 378.432 3.866 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC000848069095 1056543264 /nfs/dbraw/zinc/54/32/64/1056543264.db2.gz RARVSNGRUHKENU-UHFFFAOYSA-N -1 3 388.899 3.620 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CCc1c(C)nc[n-]c1=O ZINC001322769339 1056841827 /nfs/dbraw/zinc/84/18/27/1056841827.db2.gz OHGGPFWQFKGSDC-UKRRQHHQSA-N -1 3 385.464 3.507 20 0 GHADHM CC[C@H](C)c1nnc([C@@H](CCSC)[N-]S(=O)(=O)c2ccc(C)cc2)o1 ZINC001324083282 1057067230 /nfs/dbraw/zinc/06/72/30/1057067230.db2.gz SWGWFXWIOORJEA-DZGCQCFKSA-N -1 3 383.539 3.664 20 0 GHADHM O=C(CCc1ccc2c(c1)CCO2)[N-]OCc1ccc(F)cc1Br ZINC001324293938 1057106214 /nfs/dbraw/zinc/10/62/14/1057106214.db2.gz LYFXNCUCINSWAC-UHFFFAOYSA-N -1 3 394.240 3.704 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(C(F)(F)F)cnc1Cl ZINC001324901336 1057244115 /nfs/dbraw/zinc/24/41/15/1057244115.db2.gz ICTQICSSYSEPRC-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001475198572 1057313441 /nfs/dbraw/zinc/31/34/41/1057313441.db2.gz YEJRZOQHLKDGOG-VHSXEESVSA-N -1 3 394.440 3.531 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)c1 ZINC001356546254 1057544990 /nfs/dbraw/zinc/54/49/90/1057544990.db2.gz DLOFTIAMOOWKTR-UHFFFAOYSA-N -1 3 382.794 3.504 20 0 GHADHM C[C@@H]1Cc2c(sc([N-]C(=O)c3cnsn3)c2C(=O)OC(C)(C)C)[C@@H](C)O1 ZINC001327088119 1057595705 /nfs/dbraw/zinc/59/57/05/1057595705.db2.gz NTRDCCFQCVADBB-RKDXNWHRSA-N -1 3 395.506 3.829 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OC)c3OC(C)C)nc21 ZINC001439996174 1058379745 /nfs/dbraw/zinc/37/97/45/1058379745.db2.gz JIIHFZVEBKEBDX-UHFFFAOYSA-N -1 3 397.431 3.788 20 0 GHADHM CC(C)Oc1ccc(CCNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001440643087 1058555219 /nfs/dbraw/zinc/55/52/19/1058555219.db2.gz BTCOGSNRWXJICD-UHFFFAOYSA-N -1 3 386.398 3.566 20 0 GHADHM CC[C@@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)N1CCc2ccccc2C1 ZINC001441234216 1058728826 /nfs/dbraw/zinc/72/88/26/1058728826.db2.gz CBPLPBZYLUJPTD-KRWDZBQOSA-N -1 3 393.462 3.646 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001339150635 1058984130 /nfs/dbraw/zinc/98/41/30/1058984130.db2.gz DYWDIWCYKQYMJX-YPMHNXCESA-N -1 3 387.789 3.815 20 0 GHADHM O=C(CNC(=O)c1cc([O-])cc(Br)c1)Nc1cccc2ccccc21 ZINC001442874130 1059022660 /nfs/dbraw/zinc/02/26/60/1059022660.db2.gz FUEGULPFAUENDG-UHFFFAOYSA-N -1 3 399.244 3.676 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)cc2I)c1 ZINC001445272776 1059491305 /nfs/dbraw/zinc/49/13/05/1059491305.db2.gz NPRGNEGVZLALRZ-UHFFFAOYSA-N -1 3 385.176 3.951 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2nccn2CCCc2ccccc2)c1 ZINC001445492968 1059546096 /nfs/dbraw/zinc/54/60/96/1059546096.db2.gz JLQLLEHFDRJGNB-UHFFFAOYSA-N -1 3 381.501 3.873 20 0 GHADHM COc1cccc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1[O-] ZINC001446488634 1059781157 /nfs/dbraw/zinc/78/11/57/1059781157.db2.gz BQGKREGOZWQDSH-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001446774021 1059854023 /nfs/dbraw/zinc/85/40/23/1059854023.db2.gz XJGPYLIEJUUARW-UHFFFAOYSA-N -1 3 390.892 3.559 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2Nc2ccccc2OC)[n-]n1 ZINC001447174088 1059934638 /nfs/dbraw/zinc/93/46/38/1059934638.db2.gz JIYHKXQZLGYTFJ-UHFFFAOYSA-N -1 3 380.404 3.591 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2Nc2ccccc2OC)n[n-]1 ZINC001447174088 1059934639 /nfs/dbraw/zinc/93/46/39/1059934639.db2.gz JIYHKXQZLGYTFJ-UHFFFAOYSA-N -1 3 380.404 3.591 20 0 GHADHM CN1c2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2C(C)(C)C1=O ZINC001447279704 1059943478 /nfs/dbraw/zinc/94/34/78/1059943478.db2.gz UQMOJIHGGDZBLN-UHFFFAOYSA-N -1 3 389.249 3.661 20 0 GHADHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc(SC)ccc1[O-] ZINC001447432593 1059964251 /nfs/dbraw/zinc/96/42/51/1059964251.db2.gz CBTKJEUGMXOTPJ-KXBFYZLASA-N -1 3 399.512 3.896 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCC1 ZINC001447476275 1059970110 /nfs/dbraw/zinc/97/01/10/1059970110.db2.gz FZJPITDGENZUKM-UHFFFAOYSA-N -1 3 398.409 3.667 20 0 GHADHM CO[C@@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])Cc1ccccc1 ZINC001449898585 1060480052 /nfs/dbraw/zinc/48/00/52/1060480052.db2.gz WEBCDZDUGRJVHW-OAQYLSRUSA-N -1 3 375.468 3.971 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)Cc1ccc(-n2cccn2)cc1 ZINC001450225654 1060555618 /nfs/dbraw/zinc/55/56/18/1060555618.db2.gz AWSCKEZYSGOORG-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001451135492 1060741892 /nfs/dbraw/zinc/74/18/92/1060741892.db2.gz KUPAIBUFMQTHEV-GVDBMIGSSA-N -1 3 388.508 3.720 20 0 GHADHM COC(=O)[C@H](C)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC001451290404 1060757471 /nfs/dbraw/zinc/75/74/71/1060757471.db2.gz CNPOKPPJAQAMMZ-GFCCVEGCSA-N -1 3 382.391 3.504 20 0 GHADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001452118149 1060902777 /nfs/dbraw/zinc/90/27/77/1060902777.db2.gz YMSISPDTELXQML-LBPRGKRZSA-N -1 3 398.467 3.641 20 0 GHADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001452118149 1060902782 /nfs/dbraw/zinc/90/27/82/1060902782.db2.gz YMSISPDTELXQML-LBPRGKRZSA-N -1 3 398.467 3.641 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1Cc2ccccc2NC(=O)C1 ZINC001452401646 1060930170 /nfs/dbraw/zinc/93/01/70/1060930170.db2.gz MXJMVQQXCOFFQA-UHFFFAOYSA-N -1 3 386.451 3.772 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 ZINC001452741287 1060998787 /nfs/dbraw/zinc/99/87/87/1060998787.db2.gz WZOGUIXIARMJMR-UHFFFAOYSA-N -1 3 382.470 3.759 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc3c(cc2[O-])OCO3)c2ccccc2)cc1 ZINC001453208993 1061092901 /nfs/dbraw/zinc/09/29/01/1061092901.db2.gz BLYDFKWJPGYNEB-NRFANRHFSA-N -1 3 377.396 3.649 20 0 GHADHM CCC(C)(C)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001453323012 1061109669 /nfs/dbraw/zinc/10/96/69/1061109669.db2.gz VNGLRRSBTAFWSU-NSHDSACASA-N -1 3 395.352 3.603 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H]3CCN3C3CCCCC3)n2)cc1 ZINC001453532146 1061151643 /nfs/dbraw/zinc/15/16/43/1061151643.db2.gz KYLNDWLJKQZGLS-FQEVSTJZSA-N -1 3 396.535 3.838 20 0 GHADHM CON(C(=O)c1cc2c(cc1[O-])OCO2)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001453745907 1061198554 /nfs/dbraw/zinc/19/85/54/1061198554.db2.gz ZVYRMGDQMZCEHI-SNVBAGLBSA-N -1 3 383.322 3.905 20 0 GHADHM O=S(=O)([N-]C1CC2(CC2(F)F)C1)c1ccc(Br)cc1Cl ZINC001346704171 1061806804 /nfs/dbraw/zinc/80/68/04/1061806804.db2.gz ZRAIRHAIGDSYMH-UHFFFAOYSA-N -1 3 386.645 3.569 20 0 GHADHM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cc([O-])cc(Br)c1 ZINC001454630273 1061888949 /nfs/dbraw/zinc/88/89/49/1061888949.db2.gz WMZHDXBJVGYILH-VNQPRFMTSA-N -1 3 378.653 3.876 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(C)=O)c([O-])c3)n2)cc1 ZINC001545729398 1061973438 /nfs/dbraw/zinc/97/34/38/1061973438.db2.gz CFXGZJJJSIUMOQ-GFCCVEGCSA-N -1 3 379.416 3.698 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001545858236 1062045613 /nfs/dbraw/zinc/04/56/13/1062045613.db2.gz MVVUPIBPUTWMOX-MRXNPFEDSA-N -1 3 392.496 3.535 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545858788 1062046025 /nfs/dbraw/zinc/04/60/25/1062046025.db2.gz XJEDUNGJDPQDHN-JHJVBQTASA-N -1 3 382.423 3.706 20 0 GHADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC001545871448 1062053869 /nfs/dbraw/zinc/05/38/69/1062053869.db2.gz OPXDNISBYDSRNK-QUCCMNQESA-N -1 3 396.516 3.812 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cncc(N2CCCC2)n1 ZINC001434878354 1062071885 /nfs/dbraw/zinc/07/18/85/1062071885.db2.gz YAPUFOTZCWVFMQ-UHFFFAOYSA-N -1 3 386.868 3.501 20 0 GHADHM CC(C)c1ccc2ncnc(NCc3c(F)cccc3[N-]S(C)(=O)=O)c2c1 ZINC001347219508 1062220932 /nfs/dbraw/zinc/22/09/32/1062220932.db2.gz HXFUNRNTTTXEFN-UHFFFAOYSA-N -1 3 388.468 3.876 20 0 GHADHM COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001455611174 1062234523 /nfs/dbraw/zinc/23/45/23/1062234523.db2.gz KARIUNCCFUOEGM-GOSISDBHSA-N -1 3 399.418 3.501 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455659945 1062251429 /nfs/dbraw/zinc/25/14/29/1062251429.db2.gz FSUPHCSIBFKWIU-UHFFFAOYSA-N -1 3 381.457 3.727 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001455669064 1062253389 /nfs/dbraw/zinc/25/33/89/1062253389.db2.gz XXMVLQIVVDSYLD-UHFFFAOYSA-N -1 3 386.864 3.767 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C[C@@H](C)c3ccc(C(C)C)cc3)C2)n1 ZINC001347307134 1062286638 /nfs/dbraw/zinc/28/66/38/1062286638.db2.gz XTIOKVOOMPQKOM-BEFAXECRSA-N -1 3 382.508 3.503 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H](CC(F)(F)F)C3)n2CC(C)C)cc(=O)[n-]1 ZINC001347655815 1062554702 /nfs/dbraw/zinc/55/47/02/1062554702.db2.gz HOAFOQQIPNMWOJ-ZDUSSCGKSA-N -1 3 398.433 3.574 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)c2ccc(Br)s2)[n-]n1 ZINC001456329797 1062617857 /nfs/dbraw/zinc/61/78/57/1062617857.db2.gz JHGOZHREEGWHDN-MRVPVSSYSA-N -1 3 386.271 3.541 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)c2ccc(Br)s2)n[n-]1 ZINC001456329797 1062617863 /nfs/dbraw/zinc/61/78/63/1062617863.db2.gz JHGOZHREEGWHDN-MRVPVSSYSA-N -1 3 386.271 3.541 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)[n-]n1 ZINC001456329802 1062618258 /nfs/dbraw/zinc/61/82/58/1062618258.db2.gz JHGOZHREEGWHDN-QMMMGPOBSA-N -1 3 386.271 3.541 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)s2)n[n-]1 ZINC001456329802 1062618270 /nfs/dbraw/zinc/61/82/70/1062618270.db2.gz JHGOZHREEGWHDN-QMMMGPOBSA-N -1 3 386.271 3.541 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)cs2)cc1 ZINC001456332954 1062620790 /nfs/dbraw/zinc/62/07/90/1062620790.db2.gz NFMXJNFNSZSCMG-UHFFFAOYSA-N -1 3 384.461 3.913 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)cs2)cc1 ZINC001456332954 1062620796 /nfs/dbraw/zinc/62/07/96/1062620796.db2.gz NFMXJNFNSZSCMG-UHFFFAOYSA-N -1 3 384.461 3.913 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383684 1062650838 /nfs/dbraw/zinc/65/08/38/1062650838.db2.gz LPNLDTWOBLELTJ-SFYZADRCSA-N -1 3 378.807 3.835 20 0 GHADHM C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nc(C(F)(F)F)n[n-]1 ZINC001456388687 1062654981 /nfs/dbraw/zinc/65/49/81/1062654981.db2.gz UTPXWORHVSDZLF-SNVBAGLBSA-N -1 3 388.349 3.939 20 0 GHADHM Cc1onc(-c2ccccc2C)c1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456388928 1062655604 /nfs/dbraw/zinc/65/56/04/1062655604.db2.gz VFDRIABBMNKINV-SECBINFHSA-N -1 3 379.342 3.586 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC001435523726 1062706528 /nfs/dbraw/zinc/70/65/28/1062706528.db2.gz AHUPXCNMTMPJHZ-HNNXBMFYSA-N -1 3 380.778 3.640 20 0 GHADHM O=C(N[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456726803 1062827150 /nfs/dbraw/zinc/82/71/50/1062827150.db2.gz NJWUNKBRTPUPPI-APWZRJJASA-N -1 3 393.405 3.875 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(C)cc(Br)c2)c([O-])c(OC)c1 ZINC001456743706 1062836761 /nfs/dbraw/zinc/83/67/61/1062836761.db2.gz FGMKXHYDGZRHGI-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM CCc1ccc(CCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001456798753 1062861784 /nfs/dbraw/zinc/86/17/84/1062861784.db2.gz HQNDDALVOPERBF-UHFFFAOYSA-N -1 3 377.444 3.900 20 0 GHADHM CCc1ccc(CCC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001456798753 1062861801 /nfs/dbraw/zinc/86/18/01/1062861801.db2.gz HQNDDALVOPERBF-UHFFFAOYSA-N -1 3 377.444 3.900 20 0 GHADHM CCCCc1nc(NC(=O)c2cc3c(c(Cl)c2)OCO3)c(C(=O)OCC)[n-]1 ZINC001435886584 1062981979 /nfs/dbraw/zinc/98/19/79/1062981979.db2.gz AUXLPBVJEYKXKQ-UHFFFAOYSA-N -1 3 393.827 3.563 20 0 GHADHM CC(=O)Nc1ccc(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001457165897 1062994944 /nfs/dbraw/zinc/99/49/44/1062994944.db2.gz ZMUPLGLCKFYWFJ-UHFFFAOYSA-N -1 3 395.488 3.545 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001435934727 1063011435 /nfs/dbraw/zinc/01/14/35/1063011435.db2.gz ZCHQAQCOKSGJCR-CSKARUKUSA-N -1 3 396.374 3.532 20 0 GHADHM CCOc1ccc2cc(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)[nH]c2c1 ZINC001457660648 1063299053 /nfs/dbraw/zinc/29/90/53/1063299053.db2.gz QAWAXXMZBHUAMH-UHFFFAOYSA-N -1 3 383.358 3.882 20 0 GHADHM COc1cc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)ncc1Br ZINC001457740522 1063338339 /nfs/dbraw/zinc/33/83/39/1063338339.db2.gz DPVZFAOWPFEJQH-UHFFFAOYSA-N -1 3 388.168 3.908 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(Nc4nccs4)c3)c2c1=O ZINC001457888547 1063421779 /nfs/dbraw/zinc/42/17/79/1063421779.db2.gz QCOYQWKJZOZIRB-UHFFFAOYSA-N -1 3 394.460 3.505 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccccc3C(C)(C)C)nc21 ZINC001458171238 1063627105 /nfs/dbraw/zinc/62/71/05/1063627105.db2.gz MNIXGOJSZSXGNA-UHFFFAOYSA-N -1 3 381.432 3.665 20 0 GHADHM Cc1cc(F)ccc1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001458214631 1063664570 /nfs/dbraw/zinc/66/45/70/1063664570.db2.gz VUOSMIXEGBKGIN-UHFFFAOYSA-N -1 3 397.443 3.707 20 0 GHADHM CSc1ccccc1[N-]C(=O)c1csc(I)n1 ZINC001349513624 1063762499 /nfs/dbraw/zinc/76/24/99/1063762499.db2.gz BRAACFCICPWTPU-UHFFFAOYSA-N -1 3 376.244 3.722 20 0 GHADHM C[C@@H](Nc1cc(-c2cccc(Cl)c2)ncn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001458458819 1063822728 /nfs/dbraw/zinc/82/27/28/1063822728.db2.gz ZQACEBGQZRNVKF-CHWSQXEVSA-N -1 3 397.866 3.973 20 0 GHADHM COC(=O)C=Cc1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c(OC)c1 ZINC001458898106 1063958017 /nfs/dbraw/zinc/95/80/17/1063958017.db2.gz NKJUGINSRSWXSQ-PKNBQFBNSA-N -1 3 392.411 3.623 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@]3(C)CC[C@H](C)C3(C)C)c2)[n-]1 ZINC001459714743 1064183023 /nfs/dbraw/zinc/18/30/23/1064183023.db2.gz RYMQKZPAAYTLEC-FPTDNZKUSA-N -1 3 398.507 3.727 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@]3(C)CC[C@H](C)C3(C)C)c2)n[n-]1 ZINC001459714743 1064183024 /nfs/dbraw/zinc/18/30/24/1064183024.db2.gz RYMQKZPAAYTLEC-FPTDNZKUSA-N -1 3 398.507 3.727 20 0 GHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001351309708 1064367259 /nfs/dbraw/zinc/36/72/59/1064367259.db2.gz KJQAHCZVOWQAMV-UHFFFAOYSA-N -1 3 396.379 3.580 20 0 GHADHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001463528538 1064436767 /nfs/dbraw/zinc/43/67/67/1064436767.db2.gz OXLIXTNLJXACID-STQMWFEESA-N -1 3 386.970 3.953 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]CCc1ccc(C2CCCCC2)cc1 ZINC001464058971 1064793197 /nfs/dbraw/zinc/79/31/97/1064793197.db2.gz NYQIEOMHZCYIBN-UHFFFAOYSA-N -1 3 398.532 3.606 20 0 GHADHM CCc1ccc(CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C2CC2)cc1 ZINC001464065016 1064795940 /nfs/dbraw/zinc/79/59/40/1064795940.db2.gz GNELAIVBPOXJAS-UHFFFAOYSA-N -1 3 380.488 3.574 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1C(F)(F)F ZINC001464201842 1064904641 /nfs/dbraw/zinc/90/46/41/1064904641.db2.gz CDPBKQPCXVWKPT-UHFFFAOYSA-N -1 3 385.816 3.907 20 0 GHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC001464203622 1064905469 /nfs/dbraw/zinc/90/54/69/1064905469.db2.gz OXQMLOTZCPQKJT-LBPRGKRZSA-N -1 3 394.320 3.641 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001464278872 1064939335 /nfs/dbraw/zinc/93/93/35/1064939335.db2.gz YNFCATNEBQOLJB-KSSFIOAISA-N -1 3 396.915 3.668 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001464411224 1064994002 /nfs/dbraw/zinc/99/40/02/1064994002.db2.gz QFNRMFLNXBWYHF-UHFFFAOYSA-N -1 3 390.889 3.529 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC001464474260 1065033890 /nfs/dbraw/zinc/03/38/90/1065033890.db2.gz RAISEGYNZGUXCA-DZGCQCFKSA-N -1 3 378.394 3.976 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(C)C)c(F)c1 ZINC001464512161 1065055375 /nfs/dbraw/zinc/05/53/75/1065055375.db2.gz YRPOONLDBRLWFL-GOSISDBHSA-N -1 3 393.480 3.548 20 0 GHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCS1 ZINC001464720347 1065174707 /nfs/dbraw/zinc/17/47/07/1065174707.db2.gz KWDLVLXZYQADNF-IUCAKERBSA-N -1 3 384.748 3.665 20 0 GHADHM C/C(=C/c1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001464955055 1065289325 /nfs/dbraw/zinc/28/93/25/1065289325.db2.gz CRPWSJBYSQLEKQ-FLIBITNWSA-N -1 3 399.394 3.514 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c3ccccc31)C(=O)N2 ZINC001200151650 1065383056 /nfs/dbraw/zinc/38/30/56/1065383056.db2.gz LYBDCXGEJASIJH-SFHVURJKSA-N -1 3 386.860 3.773 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001465417418 1065598384 /nfs/dbraw/zinc/59/83/84/1065598384.db2.gz XYIBWAPXBVHXRC-GOSISDBHSA-N -1 3 388.389 3.943 20 0 GHADHM O=C(c1cc(Br)c2ccccc2c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193175 1065626379 /nfs/dbraw/zinc/62/63/79/1065626379.db2.gz DXFDSWKHDOBQHT-LBPRGKRZSA-N -1 3 386.249 3.661 20 0 GHADHM Cc1nc2scc(-c3ccccc3)c2c(N2CCC(c3nnn[n-]3)CC2)n1 ZINC001353195458 1065755505 /nfs/dbraw/zinc/75/55/05/1065755505.db2.gz XMARBYZGRQMINX-UHFFFAOYSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1nc2scc(-c3ccccc3)c2c(N2CCC(c3nn[n-]n3)CC2)n1 ZINC001353195458 1065755517 /nfs/dbraw/zinc/75/55/17/1065755517.db2.gz XMARBYZGRQMINX-UHFFFAOYSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccc(NC(=S)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC001200335125 1065944690 /nfs/dbraw/zinc/94/46/90/1065944690.db2.gz DFSUHLMFOQIPIC-UHFFFAOYSA-N -1 3 389.908 3.509 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C(C)C ZINC001353574234 1066052686 /nfs/dbraw/zinc/05/26/86/1066052686.db2.gz HKCGMDDIHKFVSW-INIZCTEOSA-N -1 3 395.912 3.542 20 0 GHADHM CCCCc1ccc(NC(=S)N2CCC([N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001200385004 1066058485 /nfs/dbraw/zinc/05/84/85/1066058485.db2.gz CNPMUWVVNWAEHV-UHFFFAOYSA-N -1 3 387.471 3.869 20 0 GHADHM C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001466257955 1066059449 /nfs/dbraw/zinc/05/94/49/1066059449.db2.gz MHJZZEVATXHFNR-JTQLQIEISA-N -1 3 389.864 3.955 20 0 GHADHM CCC1(CC)CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])c2ccccc21 ZINC001466270333 1066066368 /nfs/dbraw/zinc/06/63/68/1066066368.db2.gz SMNRMOCQCRZXHA-UHFFFAOYSA-N -1 3 380.488 3.925 20 0 GHADHM O=C(NC[C@@]1(O)CCc2ccccc21)c1cc(CCc2ccccc2)ccc1[O-] ZINC001466286924 1066075470 /nfs/dbraw/zinc/07/54/70/1066075470.db2.gz NKVSCBUPOWPFJY-VWLOTQADSA-N -1 3 387.479 3.741 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(F)(F)F ZINC001466488410 1066170511 /nfs/dbraw/zinc/17/05/11/1066170511.db2.gz GUHAVIFKPUNJBZ-LBPRGKRZSA-N -1 3 376.325 3.903 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001357926496 1067335744 /nfs/dbraw/zinc/33/57/44/1067335744.db2.gz YQVQKSICWKKIMT-QGZVFWFLSA-N -1 3 395.912 3.720 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001467594075 1067376230 /nfs/dbraw/zinc/37/62/30/1067376230.db2.gz HJQYVGGEUBMDJQ-UHFFFAOYSA-N -1 3 397.744 3.601 20 0 GHADHM Cc1ccc(C(=O)NCc2ccc(I)c(C)c2)c([O-])c1 ZINC001467628748 1067390130 /nfs/dbraw/zinc/39/01/30/1067390130.db2.gz WYJAQVWWAXSWBV-UHFFFAOYSA-N -1 3 381.213 3.544 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC001467737843 1067444425 /nfs/dbraw/zinc/44/44/25/1067444425.db2.gz CJKCIJKHDWSGDV-OAHLLOKOSA-N -1 3 395.459 3.643 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCCCOC)c2ccccc2)c1 ZINC001467781571 1067466410 /nfs/dbraw/zinc/46/64/10/1067466410.db2.gz NTWCVNFEHKDPSA-LJQANCHMSA-N -1 3 382.460 3.805 20 0 GHADHM CC[C@H](CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001467875096 1067510789 /nfs/dbraw/zinc/51/07/89/1067510789.db2.gz SLUCZVKHWAFIIR-YESZJQIVSA-N -1 3 383.492 3.759 20 0 GHADHM O=C(Nc1cc(O)cc(Br)c1)c1cc([O-])cc(Br)c1 ZINC001468024233 1067569090 /nfs/dbraw/zinc/56/90/90/1067569090.db2.gz AGGIBGFVPNIICU-UHFFFAOYSA-N -1 3 387.027 3.875 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(CNc3ccnc(C)n3)c2)c1[O-] ZINC001468602330 1067787081 /nfs/dbraw/zinc/78/70/81/1067787081.db2.gz WHBJFQDEESTUHS-UHFFFAOYSA-N -1 3 376.416 3.558 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@]1(C)CCCC[C@@H]1C ZINC001468742344 1067856585 /nfs/dbraw/zinc/85/65/85/1067856585.db2.gz WORACEFHBVVBHS-WHEQGISXSA-N -1 3 395.459 3.691 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H](c2ccccc2)C1 ZINC001468804902 1067891401 /nfs/dbraw/zinc/89/14/01/1067891401.db2.gz JBKABNVSWWCOQE-GOSISDBHSA-N -1 3 398.459 3.532 20 0 GHADHM CCc1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1[O-] ZINC000849538153 1067901018 /nfs/dbraw/zinc/90/10/18/1067901018.db2.gz JFHMVQOHMRTIIH-NRFANRHFSA-N -1 3 397.519 3.801 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001468892552 1067921164 /nfs/dbraw/zinc/92/11/64/1067921164.db2.gz KJACGTGLKKEENQ-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001468892552 1067921166 /nfs/dbraw/zinc/92/11/66/1067921166.db2.gz KJACGTGLKKEENQ-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC001469175752 1068010852 /nfs/dbraw/zinc/01/08/52/1068010852.db2.gz BYVQKSRFNBQAPP-RYUDHWBXSA-N -1 3 398.297 3.737 20 0 GHADHM CCCOc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469326472 1068104762 /nfs/dbraw/zinc/10/47/62/1068104762.db2.gz INJITSDGXMIQQQ-UHFFFAOYSA-N -1 3 396.447 3.954 20 0 GHADHM CCCOc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469326472 1068104768 /nfs/dbraw/zinc/10/47/68/1068104768.db2.gz INJITSDGXMIQQQ-UHFFFAOYSA-N -1 3 396.447 3.954 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCCCC1)c1nnc2ccccc2c1[O-] ZINC001469496618 1068191750 /nfs/dbraw/zinc/19/17/50/1068191750.db2.gz GEEFAIHBNJILGT-OAQYLSRUSA-N -1 3 391.471 3.749 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC001469751478 1068357900 /nfs/dbraw/zinc/35/79/00/1068357900.db2.gz SAQFGKYDANEOBX-AWEZNQCLSA-N -1 3 389.835 3.933 20 0 GHADHM COc1cccc(-n2cc(C(=O)[N-]c3nnc(CC4CCCCC4)s3)nn2)c1 ZINC001360185640 1068403456 /nfs/dbraw/zinc/40/34/56/1068403456.db2.gz VYOVCTSTQQQQPI-UHFFFAOYSA-N -1 3 398.492 3.503 20 0 GHADHM CC1(C)C[C@H](CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)C(C)(C)O1 ZINC001460266066 1068895511 /nfs/dbraw/zinc/89/55/11/1068895511.db2.gz PTJQMRJKILXGKT-HUUCEWRRSA-N -1 3 384.442 3.690 20 0 GHADHM NC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001460429496 1068961478 /nfs/dbraw/zinc/96/14/78/1068961478.db2.gz IIWPAGISSONGGX-ZDUSSCGKSA-N -1 3 387.213 3.818 20 0 GHADHM CCOC(=O)C(CC)(CC)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001460469679 1068972162 /nfs/dbraw/zinc/97/21/62/1068972162.db2.gz DJYRLUZYGAPWPC-UHFFFAOYSA-N -1 3 392.240 3.779 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cnc(-c2c(F)cccc2F)s1 ZINC001460811744 1069196342 /nfs/dbraw/zinc/19/63/42/1069196342.db2.gz AMAFHBOTFQOKJM-UHFFFAOYSA-N -1 3 388.399 3.715 20 0 GHADHM O=c1cc(CN2CCC[C@H](C3CCOCC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC001460833074 1069208556 /nfs/dbraw/zinc/20/85/56/1069208556.db2.gz LVDBBVUVGRHTSL-AWEZNQCLSA-N -1 3 377.868 3.791 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(F)c1Sc1ccccc1)C2 ZINC001470674781 1072682397 /nfs/dbraw/zinc/68/23/97/1072682397.db2.gz RYINWRZRFRZKRU-UHFFFAOYSA-N -1 3 381.432 3.937 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1F ZINC001470794176 1072742718 /nfs/dbraw/zinc/74/27/18/1072742718.db2.gz ASQUFPWDUSVMAN-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1F ZINC001470794176 1072742719 /nfs/dbraw/zinc/74/27/19/1072742719.db2.gz ASQUFPWDUSVMAN-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)c2)c1 ZINC001471809513 1073224388 /nfs/dbraw/zinc/22/43/88/1073224388.db2.gz DQSNLKBWQJVBGV-UHFFFAOYSA-N -1 3 389.455 3.877 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)c1 ZINC001471944129 1073274752 /nfs/dbraw/zinc/27/47/52/1073274752.db2.gz VDBHMEYSYFRKBI-OAHLLOKOSA-N -1 3 390.281 3.875 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(Oc3ccccn3)c2)c([O-])c(OC)c1 ZINC001472230112 1073376639 /nfs/dbraw/zinc/37/66/39/1073376639.db2.gz OHZGNQDUVIECHG-UHFFFAOYSA-N -1 3 394.383 3.627 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3n[nH]c4c3C[C@H](C)CC4)n[n-]2)cc1 ZINC001472357860 1073443838 /nfs/dbraw/zinc/44/38/38/1073443838.db2.gz XJSLSGBFBZAOQU-GFCCVEGCSA-N -1 3 382.493 3.506 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001472370001 1073449587 /nfs/dbraw/zinc/44/95/87/1073449587.db2.gz LKIJDGWIHHHVKK-OAHLLOKOSA-N -1 3 394.487 3.617 20 0 GHADHM Cc1noc([C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C(C)C)n1 ZINC001472447907 1073494070 /nfs/dbraw/zinc/49/40/70/1073494070.db2.gz KTYPGVZRWRYNNB-HXUWFJFHSA-N -1 3 379.460 3.996 20 0 GHADHM O=C([N-]C[C@H](NCc1ccccc1)C(F)(F)F)C(F)(F)c1ccccc1F ZINC001472566340 1073554590 /nfs/dbraw/zinc/55/45/90/1073554590.db2.gz KKFBJDGIICTEDQ-HNNXBMFYSA-N -1 3 390.327 3.754 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2F)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472617653 1073577760 /nfs/dbraw/zinc/57/77/60/1073577760.db2.gz ARAJMZXZGKRCPG-UHFFFAOYSA-N -1 3 376.343 3.754 20 0 GHADHM O=c1cc(CN(CCCO)Cc2cccc(Cl)c2)nc(-c2ccccc2)[n-]1 ZINC001473286312 1073906908 /nfs/dbraw/zinc/90/69/08/1073906908.db2.gz HUFYMFMFGHCZHF-UHFFFAOYSA-N -1 3 383.879 3.887 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C[C@H]1CCCC12CCOCC2)C(F)(F)F ZINC001473567610 1074019567 /nfs/dbraw/zinc/01/95/67/1074019567.db2.gz UCNYLWSABOCNJM-SJORKVTESA-N -1 3 396.453 3.693 20 0 GHADHM CC(F)(F)CCCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001473656351 1074070695 /nfs/dbraw/zinc/07/06/95/1074070695.db2.gz KYTNTARVCKNRSM-HUUCEWRRSA-N -1 3 378.385 3.958 20 0 GHADHM C[C@@H](c1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1)C(F)(F)F ZINC001473738013 1074116537 /nfs/dbraw/zinc/11/65/37/1074116537.db2.gz DSPIYMWUZCKTCL-NHYWBVRUSA-N -1 3 382.348 3.995 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC001474766124 1074550169 /nfs/dbraw/zinc/55/01/69/1074550169.db2.gz FMYGGPQXGNFWQQ-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)cc1F ZINC001474810328 1074574273 /nfs/dbraw/zinc/57/42/73/1074574273.db2.gz SVEYZRWXYLFSKT-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc(F)cc1 ZINC001474905489 1074625654 /nfs/dbraw/zinc/62/56/54/1074625654.db2.gz IPHBVQXWEGMVLL-SECBINFHSA-N -1 3 396.793 3.975 20 0 GHADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001475049676 1074709855 /nfs/dbraw/zinc/70/98/55/1074709855.db2.gz UVCRYGOELODFLM-QWHCGFSZSA-N -1 3 386.926 3.555 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)ccc1C ZINC001475155965 1074761269 /nfs/dbraw/zinc/76/12/69/1074761269.db2.gz FIKSGKISGVPPCR-CYBMUJFWSA-N -1 3 381.881 3.783 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cc(C)cc(C)c1 ZINC001475226629 1074795076 /nfs/dbraw/zinc/79/50/76/1074795076.db2.gz JPQUIMVRALIAQR-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001475346187 1074841970 /nfs/dbraw/zinc/84/19/70/1074841970.db2.gz FDIZCCIPAADCAL-RYUDHWBXSA-N -1 3 393.958 3.991 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001475385520 1074856501 /nfs/dbraw/zinc/85/65/01/1074856501.db2.gz KGMBCUPAWKTLJL-UHOFOFEASA-N -1 3 381.929 3.633 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001475385521 1074856592 /nfs/dbraw/zinc/85/65/92/1074856592.db2.gz KGMBCUPAWKTLJL-VBNZEHGJSA-N -1 3 381.929 3.633 20 0 GHADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OC(C)(C)C ZINC001475417777 1074867122 /nfs/dbraw/zinc/86/71/22/1074867122.db2.gz USACOUSHEMDSNS-GFCCVEGCSA-N -1 3 393.908 3.761 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2C)sc1Br ZINC001475475285 1074888711 /nfs/dbraw/zinc/88/87/11/1074888711.db2.gz CSIRASBMMIYQDI-GXFFZTMASA-N -1 3 386.336 3.826 20 0 GHADHM Cn1cc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c2ccccc21 ZINC001475504393 1074899224 /nfs/dbraw/zinc/89/92/24/1074899224.db2.gz XYBPNJDGRDLRSN-UHFFFAOYSA-N -1 3 397.525 3.823 20 0 GHADHM CCSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC001475521845 1074903772 /nfs/dbraw/zinc/90/37/72/1074903772.db2.gz BVPOFIISQQWRDU-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM O=S(=O)([N-]Cc1ccc2cccnc2c1)c1csnc1-c1ccccc1 ZINC001475572128 1074917550 /nfs/dbraw/zinc/91/75/50/1074917550.db2.gz HQFGVLUYVCURQI-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)OC1 ZINC001475626036 1074930131 /nfs/dbraw/zinc/93/01/31/1074930131.db2.gz PXZHHWRYMCCIRL-NSHDSACASA-N -1 3 396.734 3.586 20 0 GHADHM Cc1nc2c(cccc2CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)o1 ZINC001475655520 1074993906 /nfs/dbraw/zinc/99/39/06/1074993906.db2.gz BQSGQMLSQUHALD-UHFFFAOYSA-N -1 3 399.497 3.781 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1OCCc2ccccc21)c1c(Cl)cccc1Cl ZINC001475720110 1075008162 /nfs/dbraw/zinc/00/81/62/1075008162.db2.gz FNQRTBWIKJSNPH-INIZCTEOSA-N -1 3 386.300 3.976 20 0 GHADHM C[C@](Cc1ccc(F)cc1)(NCc1coc(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC001604222626 1126228453 /nfs/dbraw/zinc/22/84/53/1126228453.db2.gz HGDMITFLZVVVSY-HXUWFJFHSA-N -1 3 390.361 3.935 20 0 GHADHM CCOC(=O)CSCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000007674328 209130502 /nfs/dbraw/zinc/13/05/02/209130502.db2.gz UYFTYWZRDGNYQK-UHFFFAOYSA-N -1 3 380.516 3.818 20 0 GHADHM COC(=O)c1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c[n-]1 ZINC000497615735 564872069 /nfs/dbraw/zinc/87/20/69/564872069.db2.gz VNFCQMSGLWGLHN-UHFFFAOYSA-N -1 3 379.203 3.546 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334683 598824981 /nfs/dbraw/zinc/82/49/81/598824981.db2.gz LOIQLHBCTRGFPD-SFHVURJKSA-N -1 3 393.516 3.501 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334683 598824983 /nfs/dbraw/zinc/82/49/83/598824983.db2.gz LOIQLHBCTRGFPD-SFHVURJKSA-N -1 3 393.516 3.501 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736626321 598829258 /nfs/dbraw/zinc/82/92/58/598829258.db2.gz GJFJQCSMBVQUKA-UHFFFAOYSA-N -1 3 397.822 3.548 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736626321 598829260 /nfs/dbraw/zinc/82/92/60/598829260.db2.gz GJFJQCSMBVQUKA-UHFFFAOYSA-N -1 3 397.822 3.548 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c2)n1 ZINC000737447920 598832735 /nfs/dbraw/zinc/83/27/35/598832735.db2.gz GYHOQYQNYTXSEX-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c2)n1 ZINC000737447920 598832736 /nfs/dbraw/zinc/83/27/36/598832736.db2.gz GYHOQYQNYTXSEX-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(CCc1ccccc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737856630 598834753 /nfs/dbraw/zinc/83/47/53/598834753.db2.gz ARSFRGOCQNFEGH-UHFFFAOYSA-N -1 3 389.484 3.844 20 0 GHADHM O=C(CCc1cccs1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737860973 598835197 /nfs/dbraw/zinc/83/51/97/598835197.db2.gz QOMDEIFIYPMIGV-UHFFFAOYSA-N -1 3 395.513 3.906 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736686198 598835618 /nfs/dbraw/zinc/83/56/18/598835618.db2.gz ONRJOQBGIZMNGS-SFHVURJKSA-N -1 3 395.463 3.545 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736686198 598835620 /nfs/dbraw/zinc/83/56/20/598835620.db2.gz ONRJOQBGIZMNGS-SFHVURJKSA-N -1 3 395.463 3.545 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(C)c(C)c2)c1C ZINC000737315781 598841501 /nfs/dbraw/zinc/84/15/01/598841501.db2.gz QJTRJOWDGQVPJW-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM CCCn1ccc2cc(NC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC)ccc21 ZINC000736503273 598851916 /nfs/dbraw/zinc/85/19/16/598851916.db2.gz VADKDJUSBDUELJ-UHFFFAOYSA-N -1 3 391.435 3.884 20 0 GHADHM CCCn1ccc2cc(NC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC)ccc21 ZINC000736503273 598851917 /nfs/dbraw/zinc/85/19/17/598851917.db2.gz VADKDJUSBDUELJ-UHFFFAOYSA-N -1 3 391.435 3.884 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737853548 598865736 /nfs/dbraw/zinc/86/57/36/598865736.db2.gz MTQXAJAVXZLHSO-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737853548 598865737 /nfs/dbraw/zinc/86/57/37/598865737.db2.gz MTQXAJAVXZLHSO-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Br)c1sccc1-c1nnn[n-]1 ZINC000738232616 598879078 /nfs/dbraw/zinc/87/90/78/598879078.db2.gz UOXSPSAGQXDBMP-UHFFFAOYSA-N -1 3 399.657 3.701 20 0 GHADHM CCc1nc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cs1 ZINC000736703827 598887183 /nfs/dbraw/zinc/88/71/83/598887183.db2.gz GRZBOYZQXFVAFU-UHFFFAOYSA-N -1 3 382.518 3.904 20 0 GHADHM CCc1nc(CNCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cs1 ZINC000736703827 598887185 /nfs/dbraw/zinc/88/71/85/598887185.db2.gz GRZBOYZQXFVAFU-UHFFFAOYSA-N -1 3 382.518 3.904 20 0 GHADHM CC(C)c1nnc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000735952821 598901527 /nfs/dbraw/zinc/90/15/27/598901527.db2.gz MQKXMGKLZQLVGT-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM CC(C)c1nnc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000735952821 598901528 /nfs/dbraw/zinc/90/15/28/598901528.db2.gz MQKXMGKLZQLVGT-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000737279865 598903806 /nfs/dbraw/zinc/90/38/06/598903806.db2.gz SHUIWQBNNVCQGR-UHFFFAOYSA-N -1 3 385.783 3.744 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000737279865 598903808 /nfs/dbraw/zinc/90/38/08/598903808.db2.gz SHUIWQBNNVCQGR-UHFFFAOYSA-N -1 3 385.783 3.744 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000737291703 598905771 /nfs/dbraw/zinc/90/57/71/598905771.db2.gz NIDRXDUKDIDXCT-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000737291703 598905773 /nfs/dbraw/zinc/90/57/73/598905773.db2.gz NIDRXDUKDIDXCT-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Nc2ccccc2)c1 ZINC000737897726 598911044 /nfs/dbraw/zinc/91/10/44/598911044.db2.gz FHFHHHIVVGLOBK-UHFFFAOYSA-N -1 3 385.431 3.661 20 0 GHADHM CC(C)(C)C(=O)c1ccsc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735589533 598912004 /nfs/dbraw/zinc/91/20/04/598912004.db2.gz LZEWQWNMMRNDHX-CMDGGOBGSA-N -1 3 381.461 3.809 20 0 GHADHM CC(C)(C)C(=O)c1ccsc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735589533 598912006 /nfs/dbraw/zinc/91/20/06/598912006.db2.gz LZEWQWNMMRNDHX-CMDGGOBGSA-N -1 3 381.461 3.809 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000736366277 598924386 /nfs/dbraw/zinc/92/43/86/598924386.db2.gz ZBIRNVPSUHPUQU-CYBMUJFWSA-N -1 3 390.900 3.874 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000736366277 598924388 /nfs/dbraw/zinc/92/43/88/598924388.db2.gz ZBIRNVPSUHPUQU-CYBMUJFWSA-N -1 3 390.900 3.874 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000736364155 598924893 /nfs/dbraw/zinc/92/48/93/598924893.db2.gz RYESVRBNKOCFLT-GFCCVEGCSA-N -1 3 394.863 3.671 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000736364155 598924894 /nfs/dbraw/zinc/92/48/94/598924894.db2.gz RYESVRBNKOCFLT-GFCCVEGCSA-N -1 3 394.863 3.671 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736271026 598926023 /nfs/dbraw/zinc/92/60/23/598926023.db2.gz LXRMQJGPEQMNHH-BEFAXECRSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736271026 598926024 /nfs/dbraw/zinc/92/60/24/598926024.db2.gz LXRMQJGPEQMNHH-BEFAXECRSA-N -1 3 391.475 3.754 20 0 GHADHM CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)[C@H](C)C(C)C ZINC000736509365 598998308 /nfs/dbraw/zinc/99/83/08/598998308.db2.gz VXXUZOYNIDHNKI-MRXNPFEDSA-N -1 3 393.491 3.952 20 0 GHADHM CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)[C@H](C)C(C)C ZINC000736509365 598998310 /nfs/dbraw/zinc/99/83/10/598998310.db2.gz VXXUZOYNIDHNKI-MRXNPFEDSA-N -1 3 393.491 3.952 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738045941 598999692 /nfs/dbraw/zinc/99/96/92/598999692.db2.gz RZGZXVFPWRDNBM-MRXNPFEDSA-N -1 3 389.459 3.532 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000737196293 599004229 /nfs/dbraw/zinc/00/42/29/599004229.db2.gz DKRRIZVWSRJNQK-RHDGDCLCSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](Oc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736189005 599015498 /nfs/dbraw/zinc/01/54/98/599015498.db2.gz NRWPOZZCAKTZMY-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@@H](Oc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736189005 599015500 /nfs/dbraw/zinc/01/55/00/599015500.db2.gz NRWPOZZCAKTZMY-CQSZACIVSA-N -1 3 386.415 3.654 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737293326 599021483 /nfs/dbraw/zinc/02/14/83/599021483.db2.gz BSWBYUPXOXGCGO-ABAIWWIYSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000737293326 599021485 /nfs/dbraw/zinc/02/14/85/599021485.db2.gz BSWBYUPXOXGCGO-ABAIWWIYSA-N -1 3 386.818 3.645 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000126213910 599034139 /nfs/dbraw/zinc/03/41/39/599034139.db2.gz XPSZEKHLQLXLGL-KGLIPLIRSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000126213910 599034140 /nfs/dbraw/zinc/03/41/40/599034140.db2.gz XPSZEKHLQLXLGL-KGLIPLIRSA-N -1 3 389.337 3.508 20 0 GHADHM Cc1cccc2c(CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)c[nH]c21 ZINC000737407275 599035337 /nfs/dbraw/zinc/03/53/37/599035337.db2.gz CAWUCEDVKKMRGB-UHFFFAOYSA-N -1 3 388.475 3.636 20 0 GHADHM Cc1cccc2c(CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)c[nH]c21 ZINC000737407275 599035340 /nfs/dbraw/zinc/03/53/40/599035340.db2.gz CAWUCEDVKKMRGB-UHFFFAOYSA-N -1 3 388.475 3.636 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281963 599064943 /nfs/dbraw/zinc/06/49/43/599064943.db2.gz ZTYQCLOICAZKKG-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281963 599064946 /nfs/dbraw/zinc/06/49/46/599064946.db2.gz ZTYQCLOICAZKKG-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM Cc1ccnc(-c2cccc(NCCCOc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737438001 599066081 /nfs/dbraw/zinc/06/60/81/599066081.db2.gz XDBIHTRZUNHSGG-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000738111819 599069382 /nfs/dbraw/zinc/06/93/82/599069382.db2.gz LKXSQOKEUBASBS-UHFFFAOYSA-N -1 3 395.894 3.939 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000738111819 599069385 /nfs/dbraw/zinc/06/93/85/599069385.db2.gz LKXSQOKEUBASBS-UHFFFAOYSA-N -1 3 395.894 3.939 20 0 GHADHM Cc1c(NCC(=O)Nc2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822121252 607258147 /nfs/dbraw/zinc/25/81/47/607258147.db2.gz BZNVHHDXMXEFDD-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1c(NCC(=O)Nc2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822121252 607258148 /nfs/dbraw/zinc/25/81/48/607258148.db2.gz BZNVHHDXMXEFDD-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736267982 599082643 /nfs/dbraw/zinc/08/26/43/599082643.db2.gz VMMCVLOFPGJHPY-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736267982 599082645 /nfs/dbraw/zinc/08/26/45/599082645.db2.gz VMMCVLOFPGJHPY-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736235121 599090108 /nfs/dbraw/zinc/09/01/08/599090108.db2.gz MJAITZSWHRKYDD-ZRGWGRIASA-N -1 3 393.516 3.752 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736235121 599090111 /nfs/dbraw/zinc/09/01/11/599090111.db2.gz MJAITZSWHRKYDD-ZRGWGRIASA-N -1 3 393.516 3.752 20 0 GHADHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820995417 599102131 /nfs/dbraw/zinc/10/21/31/599102131.db2.gz RATVYVDFYQNCED-SECBINFHSA-N -1 3 378.864 3.539 20 0 GHADHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820995417 599102134 /nfs/dbraw/zinc/10/21/34/599102134.db2.gz RATVYVDFYQNCED-SECBINFHSA-N -1 3 378.864 3.539 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113012 599103080 /nfs/dbraw/zinc/10/30/80/599103080.db2.gz VZZJYSJDLWUDDM-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113012 599103081 /nfs/dbraw/zinc/10/30/81/599103081.db2.gz VZZJYSJDLWUDDM-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000738185038 599124610 /nfs/dbraw/zinc/12/46/10/599124610.db2.gz HHVMZYWUUYCRHV-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000738185038 599124612 /nfs/dbraw/zinc/12/46/12/599124612.db2.gz HHVMZYWUUYCRHV-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1Cl ZINC000821649681 599125188 /nfs/dbraw/zinc/12/51/88/599125188.db2.gz BCIZJFYDCBIJPN-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1Cl ZINC000821649681 599125190 /nfs/dbraw/zinc/12/51/90/599125190.db2.gz BCIZJFYDCBIJPN-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM Cc1csc(C(C)(C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737454665 599158450 /nfs/dbraw/zinc/15/84/50/599158450.db2.gz DGLMHTVRFDJXFT-UHFFFAOYSA-N -1 3 393.929 3.507 20 0 GHADHM Cc1csc(C(C)(C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737454665 599158452 /nfs/dbraw/zinc/15/84/52/599158452.db2.gz DGLMHTVRFDJXFT-UHFFFAOYSA-N -1 3 393.929 3.507 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818661 599159342 /nfs/dbraw/zinc/15/93/42/599159342.db2.gz QLCQOZUYMZVOTO-JKSUJKDBSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818661 599159344 /nfs/dbraw/zinc/15/93/44/599159344.db2.gz QLCQOZUYMZVOTO-JKSUJKDBSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735902991 599159826 /nfs/dbraw/zinc/15/98/26/599159826.db2.gz CCJVEMIWQICSMJ-QWHCGFSZSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735902991 599159827 /nfs/dbraw/zinc/15/98/27/599159827.db2.gz CCJVEMIWQICSMJ-QWHCGFSZSA-N -1 3 399.401 3.674 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737425089 599161620 /nfs/dbraw/zinc/16/16/20/599161620.db2.gz YTPUYRYACMIQDS-MRXNPFEDSA-N -1 3 375.476 3.860 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737425089 599161621 /nfs/dbraw/zinc/16/16/21/599161621.db2.gz YTPUYRYACMIQDS-MRXNPFEDSA-N -1 3 375.476 3.860 20 0 GHADHM CSc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nc1 ZINC000737191654 599168773 /nfs/dbraw/zinc/16/87/73/599168773.db2.gz TVXKXKKNLORFLI-UHFFFAOYSA-N -1 3 388.456 3.903 20 0 GHADHM CSc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nc1 ZINC000737191654 599168774 /nfs/dbraw/zinc/16/87/74/599168774.db2.gz TVXKXKKNLORFLI-UHFFFAOYSA-N -1 3 388.456 3.903 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822021028 599172136 /nfs/dbraw/zinc/17/21/36/599172136.db2.gz SJGAPCQOTDFPHF-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822021028 599172137 /nfs/dbraw/zinc/17/21/37/599172137.db2.gz SJGAPCQOTDFPHF-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(C(F)(F)F)c1 ZINC000737946841 599172200 /nfs/dbraw/zinc/17/22/00/599172200.db2.gz GTSSWTJANFSUCO-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(C(F)(F)F)c1 ZINC000737946841 599172201 /nfs/dbraw/zinc/17/22/01/599172201.db2.gz GTSSWTJANFSUCO-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736293861 599175858 /nfs/dbraw/zinc/17/58/58/599175858.db2.gz VLAFSBYWUJTZJM-GDBMZVCRSA-N -1 3 378.505 3.689 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736293861 599175859 /nfs/dbraw/zinc/17/58/59/599175859.db2.gz VLAFSBYWUJTZJM-GDBMZVCRSA-N -1 3 378.505 3.689 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc2ccsc2c1 ZINC000735832211 599183584 /nfs/dbraw/zinc/18/35/84/599183584.db2.gz XNMWHKUGOAHTLB-UHFFFAOYSA-N -1 3 392.488 3.775 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc2ccsc2c1 ZINC000735832211 599183588 /nfs/dbraw/zinc/18/35/88/599183588.db2.gz XNMWHKUGOAHTLB-UHFFFAOYSA-N -1 3 392.488 3.775 20 0 GHADHM COc1ccc2sc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737121427 599182646 /nfs/dbraw/zinc/18/26/46/599182646.db2.gz YMYALWTXBSNZID-UHFFFAOYSA-N -1 3 393.472 3.671 20 0 GHADHM COc1ccc2sc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737121427 599182649 /nfs/dbraw/zinc/18/26/49/599182649.db2.gz YMYALWTXBSNZID-UHFFFAOYSA-N -1 3 393.472 3.671 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736351415 599182745 /nfs/dbraw/zinc/18/27/45/599182745.db2.gz FYUQTRMPAKGKEI-SFHVURJKSA-N -1 3 398.898 3.683 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736351415 599182747 /nfs/dbraw/zinc/18/27/47/599182747.db2.gz FYUQTRMPAKGKEI-SFHVURJKSA-N -1 3 398.898 3.683 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352912 599183113 /nfs/dbraw/zinc/18/31/13/599183113.db2.gz MIZDYBSTRHACHN-UGSOOPFHSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352912 599183115 /nfs/dbraw/zinc/18/31/15/599183115.db2.gz MIZDYBSTRHACHN-UGSOOPFHSA-N -1 3 398.898 3.902 20 0 GHADHM CCN(C(=O)c1cnc2ccsc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508884 599183137 /nfs/dbraw/zinc/18/31/37/599183137.db2.gz PKLNBCJHSSKZNB-LBPRGKRZSA-N -1 3 378.461 3.700 20 0 GHADHM CCN(C(=O)c1cnc2ccsc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508884 599183139 /nfs/dbraw/zinc/18/31/39/599183139.db2.gz PKLNBCJHSSKZNB-LBPRGKRZSA-N -1 3 378.461 3.700 20 0 GHADHM CN(CC1CC1)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736792580 599195451 /nfs/dbraw/zinc/19/54/51/599195451.db2.gz FTGVVJALLCVUPM-UHFFFAOYSA-N -1 3 383.839 3.794 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737350748 599195650 /nfs/dbraw/zinc/19/56/50/599195650.db2.gz HTEHOPXJACVVNK-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737350748 599195652 /nfs/dbraw/zinc/19/56/52/599195652.db2.gz HTEHOPXJACVVNK-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736185017 599197358 /nfs/dbraw/zinc/19/73/58/599197358.db2.gz RDVMOUWJEYMSFU-MRXNPFEDSA-N -1 3 393.491 3.506 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736185017 599197360 /nfs/dbraw/zinc/19/73/60/599197360.db2.gz RDVMOUWJEYMSFU-MRXNPFEDSA-N -1 3 393.491 3.506 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736448381 599197494 /nfs/dbraw/zinc/19/74/94/599197494.db2.gz XTGRFFSYMAFBAI-LJQANCHMSA-N -1 3 398.555 3.508 20 0 GHADHM C[C@H]1C[C@@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736236474 599199220 /nfs/dbraw/zinc/19/92/20/599199220.db2.gz JWKKTXPLONCCRO-WCQYABFASA-N -1 3 383.839 3.698 20 0 GHADHM CCOCCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736611570 599209792 /nfs/dbraw/zinc/20/97/92/599209792.db2.gz SGIHUBVSSMCTLJ-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM CCOCCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736611570 599209794 /nfs/dbraw/zinc/20/97/94/599209794.db2.gz SGIHUBVSSMCTLJ-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC000819867915 599217654 /nfs/dbraw/zinc/21/76/54/599217654.db2.gz VHQAVZPEAKKHRJ-VIFPVBQESA-N -1 3 395.316 3.935 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(F)(F)F ZINC000819867915 599217656 /nfs/dbraw/zinc/21/76/56/599217656.db2.gz VHQAVZPEAKKHRJ-VIFPVBQESA-N -1 3 395.316 3.935 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821071306 599218280 /nfs/dbraw/zinc/21/82/80/599218280.db2.gz AOEZJTMMVGWTPH-CYBMUJFWSA-N -1 3 399.426 3.942 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821071306 599218282 /nfs/dbraw/zinc/21/82/82/599218282.db2.gz AOEZJTMMVGWTPH-CYBMUJFWSA-N -1 3 399.426 3.942 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821482860 599220830 /nfs/dbraw/zinc/22/08/30/599220830.db2.gz VXUDDJZFGRCCLC-KBXCAEBGSA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821482860 599220834 /nfs/dbraw/zinc/22/08/34/599220834.db2.gz VXUDDJZFGRCCLC-KBXCAEBGSA-N -1 3 379.464 3.564 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822231763 599221697 /nfs/dbraw/zinc/22/16/97/599221697.db2.gz GRQYINAKDOPPAF-SIIHOXLZSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000822232130 599221987 /nfs/dbraw/zinc/22/19/87/599221987.db2.gz UWXAYCNSVGVLBW-KMFMINBZSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000822232130 599221990 /nfs/dbraw/zinc/22/19/90/599221990.db2.gz UWXAYCNSVGVLBW-KMFMINBZSA-N -1 3 395.463 3.535 20 0 GHADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281894 599222818 /nfs/dbraw/zinc/22/28/18/599222818.db2.gz UYBWSOICWFGTRN-BEFAXECRSA-N -1 3 393.516 3.611 20 0 GHADHM C[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736281894 599222821 /nfs/dbraw/zinc/22/28/21/599222821.db2.gz UYBWSOICWFGTRN-BEFAXECRSA-N -1 3 393.516 3.611 20 0 GHADHM Fc1ccccc1-c1cnc(CSCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822791656 599224072 /nfs/dbraw/zinc/22/40/72/599224072.db2.gz KKEOBFUVYNEFED-UHFFFAOYSA-N -1 3 397.435 3.973 20 0 GHADHM Fc1ccccc1-c1cnc(CSCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822791656 599224075 /nfs/dbraw/zinc/22/40/75/599224075.db2.gz KKEOBFUVYNEFED-UHFFFAOYSA-N -1 3 397.435 3.973 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821446834 599231240 /nfs/dbraw/zinc/23/12/40/599231240.db2.gz DKTMKZMPLORUDF-NEPJUHHUSA-N -1 3 396.973 3.823 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821446834 599231243 /nfs/dbraw/zinc/23/12/43/599231243.db2.gz DKTMKZMPLORUDF-NEPJUHHUSA-N -1 3 396.973 3.823 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736350835 599232917 /nfs/dbraw/zinc/23/29/17/599232917.db2.gz CFWBXBPZQOSVHM-OAQYLSRUSA-N -1 3 391.519 3.978 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736350835 599232921 /nfs/dbraw/zinc/23/29/21/599232921.db2.gz CFWBXBPZQOSVHM-OAQYLSRUSA-N -1 3 391.519 3.978 20 0 GHADHM Fc1ccc(-n2ccc(CSCc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000822761316 599226584 /nfs/dbraw/zinc/22/65/84/599226584.db2.gz IDVMYGPWXOJKQU-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Fc1ccc(-n2ccc(CSCc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000822761316 599226587 /nfs/dbraw/zinc/22/65/87/599226587.db2.gz IDVMYGPWXOJKQU-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM CCC(CC)(CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)SC ZINC000820887785 599227240 /nfs/dbraw/zinc/22/72/40/599227240.db2.gz QRVFIOREPFVGKV-UHFFFAOYSA-N -1 3 384.962 3.728 20 0 GHADHM CCC(CC)(CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)SC ZINC000820887785 599227242 /nfs/dbraw/zinc/22/72/42/599227242.db2.gz QRVFIOREPFVGKV-UHFFFAOYSA-N -1 3 384.962 3.728 20 0 GHADHM Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cccc1-c1nnn[n-]1 ZINC000822109306 607267279 /nfs/dbraw/zinc/26/72/79/607267279.db2.gz QBKSVPVRTVTACU-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cccc1-c1nn[n-]n1 ZINC000822109306 607267280 /nfs/dbraw/zinc/26/72/80/607267280.db2.gz QBKSVPVRTVTACU-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822061716 607269634 /nfs/dbraw/zinc/26/96/34/607269634.db2.gz VRLGIFBLPUAVAR-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822061716 607269635 /nfs/dbraw/zinc/26/96/35/607269635.db2.gz VRLGIFBLPUAVAR-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(Cl)c1Cl ZINC000823238601 599244687 /nfs/dbraw/zinc/24/46/87/599244687.db2.gz QDUZLWNNPJLYRZ-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(Cl)c1Cl ZINC000823238601 599244689 /nfs/dbraw/zinc/24/46/89/599244689.db2.gz QDUZLWNNPJLYRZ-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820898201 607276552 /nfs/dbraw/zinc/27/65/52/607276552.db2.gz WJQLDJNUOAZVBY-UHFFFAOYSA-N -1 3 381.484 3.727 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820898201 607276553 /nfs/dbraw/zinc/27/65/53/607276553.db2.gz WJQLDJNUOAZVBY-UHFFFAOYSA-N -1 3 381.484 3.727 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000820198483 599244937 /nfs/dbraw/zinc/24/49/37/599244937.db2.gz XQENDPLMLHFJOZ-AWEZNQCLSA-N -1 3 397.508 3.858 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000820198483 599244938 /nfs/dbraw/zinc/24/49/38/599244938.db2.gz XQENDPLMLHFJOZ-AWEZNQCLSA-N -1 3 397.508 3.858 20 0 GHADHM COc1ccc(Cl)cc1CN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821824864 607281377 /nfs/dbraw/zinc/28/13/77/607281377.db2.gz PDRZKYAUBDGVDB-UHFFFAOYSA-N -1 3 386.843 3.501 20 0 GHADHM COc1ccc(Cl)cc1CN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821824864 607281378 /nfs/dbraw/zinc/28/13/78/607281378.db2.gz PDRZKYAUBDGVDB-UHFFFAOYSA-N -1 3 386.843 3.501 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(Cl)c2ncccc12 ZINC000823237748 599253044 /nfs/dbraw/zinc/25/30/44/599253044.db2.gz ATBCVHQCQNVTGX-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(Cl)c2ncccc12 ZINC000823237748 599253047 /nfs/dbraw/zinc/25/30/47/599253047.db2.gz ATBCVHQCQNVTGX-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM CN(CCOc1ccccc1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000736802826 599254372 /nfs/dbraw/zinc/25/43/72/599254372.db2.gz XUDOFEMRBPTIDY-UHFFFAOYSA-N -1 3 380.839 3.584 20 0 GHADHM CN(CCOc1ccccc1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000736802826 599254374 /nfs/dbraw/zinc/25/43/74/599254374.db2.gz XUDOFEMRBPTIDY-UHFFFAOYSA-N -1 3 380.839 3.584 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822092817 607284278 /nfs/dbraw/zinc/28/42/78/607284278.db2.gz ZNRQMYUDIHXSCF-MRXNPFEDSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822092817 607284279 /nfs/dbraw/zinc/28/42/79/607284279.db2.gz ZNRQMYUDIHXSCF-MRXNPFEDSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1c(NC(=O)NCCSc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822096677 607286093 /nfs/dbraw/zinc/28/60/93/607286093.db2.gz PJPCQILOCWDUBD-UHFFFAOYSA-N -1 3 388.884 3.742 20 0 GHADHM Cc1c(NC(=O)NCCSc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822096677 607286094 /nfs/dbraw/zinc/28/60/94/607286094.db2.gz PJPCQILOCWDUBD-UHFFFAOYSA-N -1 3 388.884 3.742 20 0 GHADHM Cc1c(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084244 607286443 /nfs/dbraw/zinc/28/64/43/607286443.db2.gz HPLOUMKBDQOFIJ-UHFFFAOYSA-N -1 3 398.511 3.767 20 0 GHADHM Cc1c(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084244 607286444 /nfs/dbraw/zinc/28/64/44/607286444.db2.gz HPLOUMKBDQOFIJ-UHFFFAOYSA-N -1 3 398.511 3.767 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822075373 607287196 /nfs/dbraw/zinc/28/71/96/607287196.db2.gz CUSNHBROOIEQGH-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822075373 607287197 /nfs/dbraw/zinc/28/71/97/607287197.db2.gz CUSNHBROOIEQGH-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822089500 607289977 /nfs/dbraw/zinc/28/99/77/607289977.db2.gz CXRJWEOWTHBBMA-XHDPSFHLSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822089500 607289978 /nfs/dbraw/zinc/28/99/78/607289978.db2.gz CXRJWEOWTHBBMA-XHDPSFHLSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822097034 607290395 /nfs/dbraw/zinc/29/03/95/607290395.db2.gz SIIZRUHTHOALGU-VXGBXAGGSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822097034 607290396 /nfs/dbraw/zinc/29/03/96/607290396.db2.gz SIIZRUHTHOALGU-VXGBXAGGSA-N -1 3 382.390 3.665 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820667327 599260204 /nfs/dbraw/zinc/26/02/04/599260204.db2.gz LVQJGHXMNAJGCI-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820667327 599260206 /nfs/dbraw/zinc/26/02/06/599260206.db2.gz LVQJGHXMNAJGCI-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM CC(C)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820198292 607298808 /nfs/dbraw/zinc/29/88/08/607298808.db2.gz UTGDPIAXAIYEIK-UHFFFAOYSA-N -1 3 392.463 3.738 20 0 GHADHM CC(C)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820198292 607298809 /nfs/dbraw/zinc/29/88/09/607298809.db2.gz UTGDPIAXAIYEIK-UHFFFAOYSA-N -1 3 392.463 3.738 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000822753046 607307625 /nfs/dbraw/zinc/30/76/25/607307625.db2.gz ALHARZWHFVTRHL-UHFFFAOYSA-N -1 3 396.405 3.617 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000822753046 607307626 /nfs/dbraw/zinc/30/76/26/607307626.db2.gz ALHARZWHFVTRHL-UHFFFAOYSA-N -1 3 396.405 3.617 20 0 GHADHM O=C(Nc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1)N1CCCCCC1 ZINC000823350565 607315341 /nfs/dbraw/zinc/31/53/41/607315341.db2.gz RMTYGKGSEMGPBB-UHFFFAOYSA-N -1 3 397.508 3.948 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000821505748 599268899 /nfs/dbraw/zinc/26/88/99/599268899.db2.gz SNXNOXAUPQELMF-LBPRGKRZSA-N -1 3 385.497 3.727 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000821505748 599268900 /nfs/dbraw/zinc/26/89/00/599268900.db2.gz SNXNOXAUPQELMF-LBPRGKRZSA-N -1 3 385.497 3.727 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822227603 599271014 /nfs/dbraw/zinc/27/10/14/599271014.db2.gz OWWYHNFAARGALN-UHFFFAOYSA-N -1 3 378.480 3.925 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822227603 599271016 /nfs/dbraw/zinc/27/10/16/599271016.db2.gz OWWYHNFAARGALN-UHFFFAOYSA-N -1 3 378.480 3.925 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000821757059 599271950 /nfs/dbraw/zinc/27/19/50/599271950.db2.gz UMANCOVPFMDXFU-UHFFFAOYSA-N -1 3 394.479 3.625 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000821757059 599271951 /nfs/dbraw/zinc/27/19/51/599271951.db2.gz UMANCOVPFMDXFU-UHFFFAOYSA-N -1 3 394.479 3.625 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000820596540 599276029 /nfs/dbraw/zinc/27/60/29/599276029.db2.gz QPTIYDJGWCTFHB-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000820596540 599276032 /nfs/dbraw/zinc/27/60/32/599276032.db2.gz QPTIYDJGWCTFHB-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822328273 599277751 /nfs/dbraw/zinc/27/77/51/599277751.db2.gz OAGWDBFBBNJDQS-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822328273 599277753 /nfs/dbraw/zinc/27/77/53/599277753.db2.gz OAGWDBFBBNJDQS-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820666506 599278485 /nfs/dbraw/zinc/27/84/85/599278485.db2.gz IFRSTOJKQGJWNK-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820666506 599278486 /nfs/dbraw/zinc/27/84/86/599278486.db2.gz IFRSTOJKQGJWNK-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000821104852 599286761 /nfs/dbraw/zinc/28/67/61/599286761.db2.gz TUAGLKUCYGRWST-UHFFFAOYSA-N -1 3 389.463 3.803 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000821104852 599286762 /nfs/dbraw/zinc/28/67/62/599286762.db2.gz TUAGLKUCYGRWST-UHFFFAOYSA-N -1 3 389.463 3.803 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)o1 ZINC000737331082 599288697 /nfs/dbraw/zinc/28/86/97/599288697.db2.gz OTNSWJPFBWVICU-INIZCTEOSA-N -1 3 391.435 3.545 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)o1 ZINC000737331082 599288698 /nfs/dbraw/zinc/28/86/98/599288698.db2.gz OTNSWJPFBWVICU-INIZCTEOSA-N -1 3 391.435 3.545 20 0 GHADHM C[C@@H](Sc1nnc(Cc2ccccc2F)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194103 599289638 /nfs/dbraw/zinc/28/96/38/599289638.db2.gz ZBORHHMMKGQREJ-LLVKDONJSA-N -1 3 382.424 3.833 20 0 GHADHM C[C@@H](Sc1nnc(Cc2ccccc2F)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194103 599289639 /nfs/dbraw/zinc/28/96/39/599289639.db2.gz ZBORHHMMKGQREJ-LLVKDONJSA-N -1 3 382.424 3.833 20 0 GHADHM O=C(NCc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823261734 599290069 /nfs/dbraw/zinc/29/00/69/599290069.db2.gz RLPXYZKVHSCPMA-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823261734 599290071 /nfs/dbraw/zinc/29/00/71/599290071.db2.gz RLPXYZKVHSCPMA-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM Cc1sc2nc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)nc(N)c2c1C ZINC000737563796 599290208 /nfs/dbraw/zinc/29/02/08/599290208.db2.gz QKXXPFRCXPJXIB-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)nc(N)c2c1C ZINC000737563796 599290211 /nfs/dbraw/zinc/29/02/11/599290211.db2.gz QKXXPFRCXPJXIB-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM C[C@H](C1CC1)N(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000820219639 599290799 /nfs/dbraw/zinc/29/07/99/599290799.db2.gz HMXBNHKVACARIQ-SECBINFHSA-N -1 3 380.374 3.680 20 0 GHADHM C[C@H](C1CC1)N(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000820219639 599290802 /nfs/dbraw/zinc/29/08/02/599290802.db2.gz HMXBNHKVACARIQ-SECBINFHSA-N -1 3 380.374 3.680 20 0 GHADHM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820121228 599290863 /nfs/dbraw/zinc/29/08/63/599290863.db2.gz NPVOIJFXRPIAKS-UHFFFAOYSA-N -1 3 394.357 3.921 20 0 GHADHM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820121228 599290866 /nfs/dbraw/zinc/29/08/66/599290866.db2.gz NPVOIJFXRPIAKS-UHFFFAOYSA-N -1 3 394.357 3.921 20 0 GHADHM CCCCOCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000736461600 599292012 /nfs/dbraw/zinc/29/20/12/599292012.db2.gz WVSFVTLMHJVOBG-UHFFFAOYSA-N -1 3 397.454 3.664 20 0 GHADHM CCCCOCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000736461600 599292014 /nfs/dbraw/zinc/29/20/14/599292014.db2.gz WVSFVTLMHJVOBG-UHFFFAOYSA-N -1 3 397.454 3.664 20 0 GHADHM O=C(Cc1ccccc1F)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737974393 598231508 /nfs/dbraw/zinc/23/15/08/598231508.db2.gz OHXIMZUUWDJYJI-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1ccccc1F)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737974393 598231509 /nfs/dbraw/zinc/23/15/09/598231509.db2.gz OHXIMZUUWDJYJI-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM C[C@@H](c1c(F)cccc1F)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736199137 598250371 /nfs/dbraw/zinc/25/03/71/598250371.db2.gz VUHAPFUEPAGWQP-ZDUSSCGKSA-N -1 3 385.418 3.749 20 0 GHADHM C[C@@H](c1c(F)cccc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736199137 598250373 /nfs/dbraw/zinc/25/03/73/598250373.db2.gz VUHAPFUEPAGWQP-ZDUSSCGKSA-N -1 3 385.418 3.749 20 0 GHADHM O=C(NCC1CCCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738043310 598254834 /nfs/dbraw/zinc/25/48/34/598254834.db2.gz CEFOLBHEMJOWOC-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM O=C(NCC1CCCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738043310 598254836 /nfs/dbraw/zinc/25/48/36/598254836.db2.gz CEFOLBHEMJOWOC-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C)cs1 ZINC000736363719 598263988 /nfs/dbraw/zinc/26/39/88/598263988.db2.gz OULNQNZYVGVTMJ-GFCCVEGCSA-N -1 3 377.861 3.558 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C)cs1 ZINC000736363719 598263989 /nfs/dbraw/zinc/26/39/89/598263989.db2.gz OULNQNZYVGVTMJ-GFCCVEGCSA-N -1 3 377.861 3.558 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736265693 598266960 /nfs/dbraw/zinc/26/69/60/598266960.db2.gz LFJFHGTXHBSVOY-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736265693 598266963 /nfs/dbraw/zinc/26/69/63/598266963.db2.gz LFJFHGTXHBSVOY-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM CN(C(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732509 598281207 /nfs/dbraw/zinc/28/12/07/598281207.db2.gz LVRSWIJIUWZMMB-UHFFFAOYSA-N -1 3 381.455 3.899 20 0 GHADHM CN(C(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732509 598281208 /nfs/dbraw/zinc/28/12/08/598281208.db2.gz LVRSWIJIUWZMMB-UHFFFAOYSA-N -1 3 381.455 3.899 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736653946 598283838 /nfs/dbraw/zinc/28/38/38/598283838.db2.gz NTGMVUYVHIEEBO-KDOFPFPSSA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736653946 598283839 /nfs/dbraw/zinc/28/38/39/598283839.db2.gz NTGMVUYVHIEEBO-KDOFPFPSSA-N -1 3 394.479 3.777 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737464013 598288556 /nfs/dbraw/zinc/28/85/56/598288556.db2.gz BXXZBZAXFVVXNV-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737464013 598288558 /nfs/dbraw/zinc/28/85/58/598288558.db2.gz BXXZBZAXFVVXNV-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000737061658 598296326 /nfs/dbraw/zinc/29/63/26/598296326.db2.gz CEDTXSRFYKCCKT-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737464667 598296369 /nfs/dbraw/zinc/29/63/69/598296369.db2.gz UBOPVBPDQFUVAX-UHFFFAOYSA-N -1 3 392.444 3.633 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737464667 598296371 /nfs/dbraw/zinc/29/63/71/598296371.db2.gz UBOPVBPDQFUVAX-UHFFFAOYSA-N -1 3 392.444 3.633 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735640083 598299637 /nfs/dbraw/zinc/29/96/37/598299637.db2.gz WVFSWOBGONELNG-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735640083 598299638 /nfs/dbraw/zinc/29/96/38/598299638.db2.gz WVFSWOBGONELNG-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CCCc1ccc(-c2cc(NC(=O)c3sccc3-c3nnn[n-]3)n[nH]2)cc1 ZINC000736496534 598301009 /nfs/dbraw/zinc/30/10/09/598301009.db2.gz FJKLDDQUCVQNDA-UHFFFAOYSA-N -1 3 379.449 3.523 20 0 GHADHM CCCc1ccc(-c2cc(NC(=O)c3sccc3-c3nn[n-]n3)n[nH]2)cc1 ZINC000736496534 598301010 /nfs/dbraw/zinc/30/10/10/598301010.db2.gz FJKLDDQUCVQNDA-UHFFFAOYSA-N -1 3 379.449 3.523 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737853790 598302007 /nfs/dbraw/zinc/30/20/07/598302007.db2.gz NRDVGRLPLYOJQT-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737853790 598302008 /nfs/dbraw/zinc/30/20/08/598302008.db2.gz NRDVGRLPLYOJQT-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737850851 598305172 /nfs/dbraw/zinc/30/51/72/598305172.db2.gz ALFXZIHFSNJDSN-UHFFFAOYSA-N -1 3 391.406 3.515 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737850851 598305175 /nfs/dbraw/zinc/30/51/75/598305175.db2.gz ALFXZIHFSNJDSN-UHFFFAOYSA-N -1 3 391.406 3.515 20 0 GHADHM FC(F)Oc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737639348 598317741 /nfs/dbraw/zinc/31/77/41/598317741.db2.gz RSFBGALMDPNNBO-UHFFFAOYSA-N -1 3 396.810 3.930 20 0 GHADHM FC(F)Oc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737639348 598317743 /nfs/dbraw/zinc/31/77/43/598317743.db2.gz RSFBGALMDPNNBO-UHFFFAOYSA-N -1 3 396.810 3.930 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1ccccc1)C1CC1 ZINC000738400949 598319543 /nfs/dbraw/zinc/31/95/43/598319543.db2.gz LJAWXMQZAXWIRG-UHFFFAOYSA-N -1 3 384.896 3.882 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1ccccc1)C1CC1 ZINC000738400949 598319544 /nfs/dbraw/zinc/31/95/44/598319544.db2.gz LJAWXMQZAXWIRG-UHFFFAOYSA-N -1 3 384.896 3.882 20 0 GHADHM FC(F)Oc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737639017 598320752 /nfs/dbraw/zinc/32/07/52/598320752.db2.gz JUCZQLMJIQXEGO-UHFFFAOYSA-N -1 3 396.810 3.930 20 0 GHADHM FC(F)Oc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737639017 598320753 /nfs/dbraw/zinc/32/07/53/598320753.db2.gz JUCZQLMJIQXEGO-UHFFFAOYSA-N -1 3 396.810 3.930 20 0 GHADHM Cc1ccc([C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737322312 598322670 /nfs/dbraw/zinc/32/26/70/598322670.db2.gz XWIRBAUPGDHQGX-SECBINFHSA-N -1 3 378.914 3.938 20 0 GHADHM Cc1ccc([C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737322312 598322671 /nfs/dbraw/zinc/32/26/71/598322671.db2.gz XWIRBAUPGDHQGX-SECBINFHSA-N -1 3 378.914 3.938 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)N[C@H](C)c1cccs1 ZINC000736126013 598323640 /nfs/dbraw/zinc/32/36/40/598323640.db2.gz LMSRNNLHAGUBLC-CYBMUJFWSA-N -1 3 386.550 3.774 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)N[C@H](C)c1cccs1 ZINC000736126013 598323642 /nfs/dbraw/zinc/32/36/42/598323642.db2.gz LMSRNNLHAGUBLC-CYBMUJFWSA-N -1 3 386.550 3.774 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1OC ZINC000736507485 598324105 /nfs/dbraw/zinc/32/41/05/598324105.db2.gz DJCUOWOFCCTHPB-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1OC ZINC000736507485 598324106 /nfs/dbraw/zinc/32/41/06/598324106.db2.gz DJCUOWOFCCTHPB-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CCc1ccccc1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736701901 598325635 /nfs/dbraw/zinc/32/56/35/598325635.db2.gz KPVACYSCTJLODF-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM CCc1ccccc1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736701901 598325637 /nfs/dbraw/zinc/32/56/37/598325637.db2.gz KPVACYSCTJLODF-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000735874033 598326899 /nfs/dbraw/zinc/32/68/99/598326899.db2.gz LJXGMWFOIOLKLQ-UHFFFAOYSA-N -1 3 384.509 3.672 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000735874033 598326901 /nfs/dbraw/zinc/32/69/01/598326901.db2.gz LJXGMWFOIOLKLQ-UHFFFAOYSA-N -1 3 384.509 3.672 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737334306 598327151 /nfs/dbraw/zinc/32/71/51/598327151.db2.gz ZGJRVXPUNHILNZ-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737334306 598327152 /nfs/dbraw/zinc/32/71/52/598327152.db2.gz ZGJRVXPUNHILNZ-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)c(C(F)(F)F)c1 ZINC000735915209 598353500 /nfs/dbraw/zinc/35/35/00/598353500.db2.gz LULSMHXLNFUXLW-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)c(C(F)(F)F)c1 ZINC000735915209 598353502 /nfs/dbraw/zinc/35/35/02/598353502.db2.gz LULSMHXLNFUXLW-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM COC(=O)c1sc2ccccc2c1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000736957314 598363360 /nfs/dbraw/zinc/36/33/60/598363360.db2.gz PQGLQHPMJVULKA-UHFFFAOYSA-N -1 3 383.458 3.555 20 0 GHADHM COC(=O)c1sc2ccccc2c1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000736957314 598363362 /nfs/dbraw/zinc/36/33/62/598363362.db2.gz PQGLQHPMJVULKA-UHFFFAOYSA-N -1 3 383.458 3.555 20 0 GHADHM C[C@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735974435 598364367 /nfs/dbraw/zinc/36/43/67/598364367.db2.gz HJJRRLGTGYVJRP-CQSZACIVSA-N -1 3 399.495 3.549 20 0 GHADHM C[C@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735974435 598364368 /nfs/dbraw/zinc/36/43/68/598364368.db2.gz HJJRRLGTGYVJRP-CQSZACIVSA-N -1 3 399.495 3.549 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)COc2ccccc2C(C)C)n1 ZINC000737241504 598372591 /nfs/dbraw/zinc/37/25/91/598372591.db2.gz RKVZHOKDOYYEMI-OAHLLOKOSA-N -1 3 399.520 3.534 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)COc2ccccc2C(C)C)n1 ZINC000737241504 598372593 /nfs/dbraw/zinc/37/25/93/598372593.db2.gz RKVZHOKDOYYEMI-OAHLLOKOSA-N -1 3 399.520 3.534 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000737194737 598375788 /nfs/dbraw/zinc/37/57/88/598375788.db2.gz SFJCTICVCMIHQH-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000737194737 598375789 /nfs/dbraw/zinc/37/57/89/598375789.db2.gz SFJCTICVCMIHQH-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM CCc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000736712052 598378336 /nfs/dbraw/zinc/37/83/36/598378336.db2.gz AKVIPXJEKNNJCP-WJDWOHSUSA-N -1 3 385.383 3.520 20 0 GHADHM CCc1oc2ccccc2c1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000736712052 598378338 /nfs/dbraw/zinc/37/83/38/598378338.db2.gz AKVIPXJEKNNJCP-WJDWOHSUSA-N -1 3 385.383 3.520 20 0 GHADHM Fc1ccc(N2CCCCC2)c(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737660801 598378554 /nfs/dbraw/zinc/37/85/54/598378554.db2.gz QOKCJIZYNDNPMU-UHFFFAOYSA-N -1 3 397.483 3.805 20 0 GHADHM Fc1ccc(N2CCCCC2)c(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737660801 598378557 /nfs/dbraw/zinc/37/85/57/598378557.db2.gz QOKCJIZYNDNPMU-UHFFFAOYSA-N -1 3 397.483 3.805 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)cc1 ZINC000736136074 598392056 /nfs/dbraw/zinc/39/20/56/598392056.db2.gz DSNJUHOKFKZGJM-MRVPVSSYSA-N -1 3 379.649 3.851 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)cc1 ZINC000736136074 598392058 /nfs/dbraw/zinc/39/20/58/598392058.db2.gz DSNJUHOKFKZGJM-MRVPVSSYSA-N -1 3 379.649 3.851 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735836646 598393757 /nfs/dbraw/zinc/39/37/57/598393757.db2.gz AZONUTPFABIOQE-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735836646 598393758 /nfs/dbraw/zinc/39/37/58/598393758.db2.gz AZONUTPFABIOQE-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)s1 ZINC000736679132 598395582 /nfs/dbraw/zinc/39/55/82/598395582.db2.gz LSDGHOZSHVJCFR-UHFFFAOYSA-N -1 3 389.391 3.557 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)s1 ZINC000736679132 598395583 /nfs/dbraw/zinc/39/55/83/598395583.db2.gz LSDGHOZSHVJCFR-UHFFFAOYSA-N -1 3 389.391 3.557 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417073 607354452 /nfs/dbraw/zinc/35/44/52/607354452.db2.gz IJWKYSFBOGAHAD-BHBFUXRTSA-N -1 3 389.459 3.642 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417073 607354455 /nfs/dbraw/zinc/35/44/55/607354455.db2.gz IJWKYSFBOGAHAD-BHBFUXRTSA-N -1 3 389.459 3.642 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000737023088 598415642 /nfs/dbraw/zinc/41/56/42/598415642.db2.gz ADFZPGVQDNSDTM-KRWDZBQOSA-N -1 3 384.461 3.598 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000737023088 598415643 /nfs/dbraw/zinc/41/56/43/598415643.db2.gz ADFZPGVQDNSDTM-KRWDZBQOSA-N -1 3 384.461 3.598 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736193960 598416709 /nfs/dbraw/zinc/41/67/09/598416709.db2.gz VPHPVBLGTRCPLD-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736193960 598416710 /nfs/dbraw/zinc/41/67/10/598416710.db2.gz VPHPVBLGTRCPLD-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H](C)Cc2ccccc2OC)s1 ZINC000736679265 598420614 /nfs/dbraw/zinc/42/06/14/598420614.db2.gz QHUNDOKFUPLVOS-GFCCVEGCSA-N -1 3 385.493 3.707 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H](C)Cc2ccccc2OC)s1 ZINC000736679265 598420615 /nfs/dbraw/zinc/42/06/15/598420615.db2.gz QHUNDOKFUPLVOS-GFCCVEGCSA-N -1 3 385.493 3.707 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736128475 598420973 /nfs/dbraw/zinc/42/09/73/598420973.db2.gz XJUXDEAVAOGRLW-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736128475 598420975 /nfs/dbraw/zinc/42/09/75/598420975.db2.gz XJUXDEAVAOGRLW-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738111130 598422188 /nfs/dbraw/zinc/42/21/88/598422188.db2.gz INBMIHXLHUMQSE-CABCVRRESA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738111130 598422189 /nfs/dbraw/zinc/42/21/89/598422189.db2.gz INBMIHXLHUMQSE-CABCVRRESA-N -1 3 388.258 3.593 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736162112 598426253 /nfs/dbraw/zinc/42/62/53/598426253.db2.gz AKXRYNQOGPZHDY-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736162112 598426254 /nfs/dbraw/zinc/42/62/54/598426254.db2.gz AKXRYNQOGPZHDY-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)NC1CCC1 ZINC000738171710 598432373 /nfs/dbraw/zinc/43/23/73/598432373.db2.gz JVTQEFHIYOYVSU-UHFFFAOYSA-N -1 3 398.854 3.773 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)NC1CCC1 ZINC000738171710 598432375 /nfs/dbraw/zinc/43/23/75/598432375.db2.gz JVTQEFHIYOYVSU-UHFFFAOYSA-N -1 3 398.854 3.773 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccccc2Cl)n1 ZINC000589446799 598440347 /nfs/dbraw/zinc/44/03/47/598440347.db2.gz PJXZUCNLDFBNDO-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccccc2Cl)n1 ZINC000589446799 598440348 /nfs/dbraw/zinc/44/03/48/598440348.db2.gz PJXZUCNLDFBNDO-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502983 598442431 /nfs/dbraw/zinc/44/24/31/598442431.db2.gz RNQAEYXGYODFMZ-FCFCDCELSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502983 598442432 /nfs/dbraw/zinc/44/24/32/598442432.db2.gz RNQAEYXGYODFMZ-FCFCDCELSA-N -1 3 391.475 3.888 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000738261910 598448052 /nfs/dbraw/zinc/44/80/52/598448052.db2.gz WYRDMPUQQRSNJY-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000738261910 598448053 /nfs/dbraw/zinc/44/80/53/598448053.db2.gz WYRDMPUQQRSNJY-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000737059551 598450260 /nfs/dbraw/zinc/45/02/60/598450260.db2.gz WMZWPNFJHWAJFT-ZWKOTPCHSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000737059551 598450262 /nfs/dbraw/zinc/45/02/62/598450262.db2.gz WMZWPNFJHWAJFT-ZWKOTPCHSA-N -1 3 385.427 3.771 20 0 GHADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738143425 598456174 /nfs/dbraw/zinc/45/61/74/598456174.db2.gz BNZSXWWUGGQARA-UHFFFAOYSA-N -1 3 399.389 3.801 20 0 GHADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738143425 598456175 /nfs/dbraw/zinc/45/61/75/598456175.db2.gz BNZSXWWUGGQARA-UHFFFAOYSA-N -1 3 399.389 3.801 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826474070 607358039 /nfs/dbraw/zinc/35/80/39/607358039.db2.gz ZDEAWZGGODUPBE-SFHVURJKSA-N -1 3 375.476 3.742 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826474070 607358041 /nfs/dbraw/zinc/35/80/41/607358041.db2.gz ZDEAWZGGODUPBE-SFHVURJKSA-N -1 3 375.476 3.742 20 0 GHADHM O=C(NCc1cccc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738115971 598480757 /nfs/dbraw/zinc/48/07/57/598480757.db2.gz HCOZNZKDWFFNRW-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM O=C(NCc1cccc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738115971 598480759 /nfs/dbraw/zinc/48/07/59/598480759.db2.gz HCOZNZKDWFFNRW-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826471786 607358297 /nfs/dbraw/zinc/35/82/97/607358297.db2.gz MVPPOVOCHVTPQZ-GOSISDBHSA-N -1 3 375.476 3.742 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826471786 607358299 /nfs/dbraw/zinc/35/82/99/607358299.db2.gz MVPPOVOCHVTPQZ-GOSISDBHSA-N -1 3 375.476 3.742 20 0 GHADHM CC(C)c1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000735922605 598483957 /nfs/dbraw/zinc/48/39/57/598483957.db2.gz NEFCIPXAHGQEFE-ZDUSSCGKSA-N -1 3 382.468 3.860 20 0 GHADHM CC(C)c1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000735922605 598483958 /nfs/dbraw/zinc/48/39/58/598483958.db2.gz NEFCIPXAHGQEFE-ZDUSSCGKSA-N -1 3 382.468 3.860 20 0 GHADHM C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736165408 598484556 /nfs/dbraw/zinc/48/45/56/598484556.db2.gz UVJXBSJWCSZQMH-ZDUSSCGKSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736165408 598484557 /nfs/dbraw/zinc/48/45/57/598484557.db2.gz UVJXBSJWCSZQMH-ZDUSSCGKSA-N -1 3 391.456 3.832 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114599 598485518 /nfs/dbraw/zinc/48/55/18/598485518.db2.gz HTYGQRGCPACSQP-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114599 598485520 /nfs/dbraw/zinc/48/55/20/598485520.db2.gz HTYGQRGCPACSQP-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737464743 598488849 /nfs/dbraw/zinc/48/88/49/598488849.db2.gz WUAKGFLYOPUBIO-UHFFFAOYSA-N -1 3 391.435 3.639 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737464743 598488851 /nfs/dbraw/zinc/48/88/51/598488851.db2.gz WUAKGFLYOPUBIO-UHFFFAOYSA-N -1 3 391.435 3.639 20 0 GHADHM C[C@@H](Sc1ccnc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736193855 598503451 /nfs/dbraw/zinc/50/34/51/598503451.db2.gz UNTIWNJKEMYWTE-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@@H](Sc1ccnc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736193855 598503452 /nfs/dbraw/zinc/50/34/52/598503452.db2.gz UNTIWNJKEMYWTE-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM CCCCN([C@H](C)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736452589 598506482 /nfs/dbraw/zinc/50/64/82/598506482.db2.gz YTHWCZZOROEUPX-MRXNPFEDSA-N -1 3 399.520 3.560 20 0 GHADHM CCCCN([C@H](C)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736452589 598506484 /nfs/dbraw/zinc/50/64/84/598506484.db2.gz YTHWCZZOROEUPX-MRXNPFEDSA-N -1 3 399.520 3.560 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)ccc1O ZINC000826270836 607359220 /nfs/dbraw/zinc/35/92/20/607359220.db2.gz QQUIHFHKVXJHLB-UHFFFAOYSA-N -1 3 386.415 3.877 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736352089 598513487 /nfs/dbraw/zinc/51/34/87/598513487.db2.gz SAFBEQIZETVHNV-CYBMUJFWSA-N -1 3 386.912 3.828 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736352089 598513488 /nfs/dbraw/zinc/51/34/88/598513488.db2.gz SAFBEQIZETVHNV-CYBMUJFWSA-N -1 3 386.912 3.828 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOCc2ccccc2)c1-c1nnn[n-]1 ZINC000736671225 598515835 /nfs/dbraw/zinc/51/58/35/598515835.db2.gz UXVNFHHAFNFJHQ-UHFFFAOYSA-N -1 3 385.493 3.735 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOCc2ccccc2)c1-c1nn[n-]n1 ZINC000736671225 598515837 /nfs/dbraw/zinc/51/58/37/598515837.db2.gz UXVNFHHAFNFJHQ-UHFFFAOYSA-N -1 3 385.493 3.735 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000736674229 598516810 /nfs/dbraw/zinc/51/68/10/598516810.db2.gz AXAIQIWLLSVDQR-UHFFFAOYSA-N -1 3 395.410 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000736674229 598516812 /nfs/dbraw/zinc/51/68/12/598516812.db2.gz AXAIQIWLLSVDQR-UHFFFAOYSA-N -1 3 395.410 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)CSCc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000736674239 598518606 /nfs/dbraw/zinc/51/86/06/598518606.db2.gz AZPFXBFAPUEZEG-UHFFFAOYSA-N -1 3 391.497 3.810 20 0 GHADHM CCc1c(C)sc(NC(=O)CSCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000736674239 598518607 /nfs/dbraw/zinc/51/86/07/598518607.db2.gz AZPFXBFAPUEZEG-UHFFFAOYSA-N -1 3 391.497 3.810 20 0 GHADHM Cc1csc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000737454998 598528882 /nfs/dbraw/zinc/52/88/82/598528882.db2.gz LJCHCNADHABVQB-AWEZNQCLSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1csc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000737454998 598528884 /nfs/dbraw/zinc/52/88/84/598528884.db2.gz LJCHCNADHABVQB-AWEZNQCLSA-N -1 3 399.524 3.560 20 0 GHADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741069 598533299 /nfs/dbraw/zinc/53/32/99/598533299.db2.gz MKIGOKTUDFUYLP-UHFFFAOYSA-N -1 3 381.411 3.604 20 0 GHADHM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741069 598533301 /nfs/dbraw/zinc/53/33/01/598533301.db2.gz MKIGOKTUDFUYLP-UHFFFAOYSA-N -1 3 381.411 3.604 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736820965 598533373 /nfs/dbraw/zinc/53/33/73/598533373.db2.gz SGXKIOCJMRCHBE-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736820965 598533375 /nfs/dbraw/zinc/53/33/75/598533375.db2.gz SGXKIOCJMRCHBE-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738100876 598535849 /nfs/dbraw/zinc/53/58/49/598535849.db2.gz UAEVBKIJOZJAHA-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738100876 598535851 /nfs/dbraw/zinc/53/58/51/598535851.db2.gz UAEVBKIJOZJAHA-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)[C@@H](C)C(C)C ZINC000736509658 598540712 /nfs/dbraw/zinc/54/07/12/598540712.db2.gz ZFILWPUTHGTAQM-AWEZNQCLSA-N -1 3 383.452 3.545 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1scnc1-c1ccccc1 ZINC000737852197 598541226 /nfs/dbraw/zinc/54/12/26/598541226.db2.gz DOSCBIWPRFKBLS-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1scnc1-c1ccccc1 ZINC000737852197 598541228 /nfs/dbraw/zinc/54/12/28/598541228.db2.gz DOSCBIWPRFKBLS-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM CCCCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736441522 598543538 /nfs/dbraw/zinc/54/35/38/598543538.db2.gz RICVNBFIHUFJSO-LJQANCHMSA-N -1 3 379.464 3.683 20 0 GHADHM CC(F)(F)CCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736095681 598543667 /nfs/dbraw/zinc/54/36/67/598543667.db2.gz JDZZBIJBZCRPOK-UHFFFAOYSA-N -1 3 387.390 3.820 20 0 GHADHM CC(F)(F)CCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736095681 598543668 /nfs/dbraw/zinc/54/36/68/598543668.db2.gz JDZZBIJBZCRPOK-UHFFFAOYSA-N -1 3 387.390 3.820 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737813962 598544112 /nfs/dbraw/zinc/54/41/12/598544112.db2.gz MKABZYMPFUAXEB-HNNXBMFYSA-N -1 3 375.432 3.741 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737813962 598544113 /nfs/dbraw/zinc/54/41/13/598544113.db2.gz MKABZYMPFUAXEB-HNNXBMFYSA-N -1 3 375.432 3.741 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1F ZINC000736627860 598551384 /nfs/dbraw/zinc/55/13/84/598551384.db2.gz OLLKCKQVPUDBLH-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccccc1F ZINC000736627860 598551386 /nfs/dbraw/zinc/55/13/86/598551386.db2.gz OLLKCKQVPUDBLH-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC1CCCC1 ZINC000737281463 598554390 /nfs/dbraw/zinc/55/43/90/598554390.db2.gz ZRHVKERSKJIALV-UHFFFAOYSA-N -1 3 392.463 3.818 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC1CCCC1 ZINC000737281463 598554391 /nfs/dbraw/zinc/55/43/91/598554391.db2.gz ZRHVKERSKJIALV-UHFFFAOYSA-N -1 3 392.463 3.818 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000736819593 598558714 /nfs/dbraw/zinc/55/87/14/598558714.db2.gz FEDQTPMLINDDKA-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000736819593 598558715 /nfs/dbraw/zinc/55/87/15/598558715.db2.gz FEDQTPMLINDDKA-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736264255 598565091 /nfs/dbraw/zinc/56/50/91/598565091.db2.gz CQUSJIURZFFHID-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736264255 598565092 /nfs/dbraw/zinc/56/50/92/598565092.db2.gz CQUSJIURZFFHID-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738176006 598571158 /nfs/dbraw/zinc/57/11/58/598571158.db2.gz UGVVUYGHIOQCAQ-HXUWFJFHSA-N -1 3 384.443 3.627 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2s1 ZINC000736534244 598572071 /nfs/dbraw/zinc/57/20/71/598572071.db2.gz JAPKKHGFRMWCRO-UHFFFAOYSA-N -1 3 399.505 3.636 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2s1 ZINC000736534244 598572073 /nfs/dbraw/zinc/57/20/73/598572073.db2.gz JAPKKHGFRMWCRO-UHFFFAOYSA-N -1 3 399.505 3.636 20 0 GHADHM Cc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000737308365 598574872 /nfs/dbraw/zinc/57/48/72/598574872.db2.gz LMTWFXGXMOIMDJ-UHFFFAOYSA-N -1 3 383.477 3.763 20 0 GHADHM Cc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000737308365 598574873 /nfs/dbraw/zinc/57/48/73/598574873.db2.gz LMTWFXGXMOIMDJ-UHFFFAOYSA-N -1 3 383.477 3.763 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737853492 598583770 /nfs/dbraw/zinc/58/37/70/598583770.db2.gz MHOXTWIMOPEYJT-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737853492 598583771 /nfs/dbraw/zinc/58/37/71/598583771.db2.gz MHOXTWIMOPEYJT-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737853196 598585313 /nfs/dbraw/zinc/58/53/13/598585313.db2.gz QGUVGPPLTQXKIE-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737853196 598585315 /nfs/dbraw/zinc/58/53/15/598585315.db2.gz QGUVGPPLTQXKIE-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1sccc1-c1nnn[n-]1 ZINC000738037215 598588736 /nfs/dbraw/zinc/58/87/36/598588736.db2.gz BDZVHKUIIYUILV-UHFFFAOYSA-N -1 3 385.518 3.763 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1sccc1-c1nn[n-]n1 ZINC000738037215 598588738 /nfs/dbraw/zinc/58/87/38/598588738.db2.gz BDZVHKUIIYUILV-UHFFFAOYSA-N -1 3 385.518 3.763 20 0 GHADHM CC(C)CN(Cc1nc(-c2ccsc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735832228 598593034 /nfs/dbraw/zinc/59/30/34/598593034.db2.gz XTTLGOFSBZMQIN-UHFFFAOYSA-N -1 3 381.465 3.641 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000737894150 598598137 /nfs/dbraw/zinc/59/81/37/598598137.db2.gz GOAJBKPQKQBICP-UHFFFAOYSA-N -1 3 396.882 3.518 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736605868 598603244 /nfs/dbraw/zinc/60/32/44/598603244.db2.gz RSNHHSMKLRNHBP-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736605868 598603246 /nfs/dbraw/zinc/60/32/46/598603246.db2.gz RSNHHSMKLRNHBP-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM Cc1cc(N[C@H](C)c2cccc(O)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274501 598606143 /nfs/dbraw/zinc/60/61/43/598606143.db2.gz NFRGAGBFBNEKMT-CYBMUJFWSA-N -1 3 385.431 3.855 20 0 GHADHM Cc1cc(N[C@H](C)c2cccc(O)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274501 598606145 /nfs/dbraw/zinc/60/61/45/598606145.db2.gz NFRGAGBFBNEKMT-CYBMUJFWSA-N -1 3 385.431 3.855 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccc3cccnc32)no1 ZINC000736190019 598608624 /nfs/dbraw/zinc/60/86/24/598608624.db2.gz VXOZRGJCDHKKHT-CYBMUJFWSA-N -1 3 399.414 3.529 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccc3cccnc32)no1 ZINC000736190019 598608626 /nfs/dbraw/zinc/60/86/26/598608626.db2.gz VXOZRGJCDHKKHT-CYBMUJFWSA-N -1 3 399.414 3.529 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC2(CC2)CC1 ZINC000738273785 598612994 /nfs/dbraw/zinc/61/29/94/598612994.db2.gz MXTCFIZTISTNSU-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC2(CC2)CC1 ZINC000738273785 598612996 /nfs/dbraw/zinc/61/29/96/598612996.db2.gz MXTCFIZTISTNSU-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000735639123 598628306 /nfs/dbraw/zinc/62/83/06/598628306.db2.gz BJSKOWHHRBLEEX-UHFFFAOYSA-N -1 3 384.415 3.774 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000735639123 598628309 /nfs/dbraw/zinc/62/83/09/598628309.db2.gz BJSKOWHHRBLEEX-UHFFFAOYSA-N -1 3 384.415 3.774 20 0 GHADHM Fc1ccc(CSc2n[nH]c(C=Cc3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000737647434 598645050 /nfs/dbraw/zinc/64/50/50/598645050.db2.gz DTQXDEVQJAMZTA-TWGQIWQCSA-N -1 3 379.424 3.587 20 0 GHADHM O=C(Nc1cc(F)ccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738145523 598645788 /nfs/dbraw/zinc/64/57/88/598645788.db2.gz SJVHCDMWYGDJKF-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cc(F)ccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738145523 598645789 /nfs/dbraw/zinc/64/57/89/598645789.db2.gz SJVHCDMWYGDJKF-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000736282297 598647841 /nfs/dbraw/zinc/64/78/41/598647841.db2.gz XIFVAQOABDPGCV-INIZCTEOSA-N -1 3 391.475 3.562 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000736282297 598647843 /nfs/dbraw/zinc/64/78/43/598647843.db2.gz XIFVAQOABDPGCV-INIZCTEOSA-N -1 3 391.475 3.562 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cscn3)c2-c2nnn[n-]2)C1 ZINC000735596520 598648407 /nfs/dbraw/zinc/64/84/07/598648407.db2.gz JZGFDGOCAUAIGX-SECBINFHSA-N -1 3 388.522 3.788 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cscn3)c2-c2nn[n-]n2)C1 ZINC000735596520 598648409 /nfs/dbraw/zinc/64/84/09/598648409.db2.gz JZGFDGOCAUAIGX-SECBINFHSA-N -1 3 388.522 3.788 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(Sc2ccccc2)CCCC1 ZINC000522639538 598649216 /nfs/dbraw/zinc/64/92/16/598649216.db2.gz QOICSDYWIQCQPD-UHFFFAOYSA-N -1 3 379.489 3.588 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(Sc2ccccc2)CCCC1 ZINC000522639538 598649218 /nfs/dbraw/zinc/64/92/18/598649218.db2.gz QOICSDYWIQCQPD-UHFFFAOYSA-N -1 3 379.489 3.588 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736455516 598652074 /nfs/dbraw/zinc/65/20/74/598652074.db2.gz AKPZKMGMXFUWHW-UHFFFAOYSA-N -1 3 399.495 3.927 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736455516 598652076 /nfs/dbraw/zinc/65/20/76/598652076.db2.gz AKPZKMGMXFUWHW-UHFFFAOYSA-N -1 3 399.495 3.927 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c2ccccc21 ZINC000736289584 598652500 /nfs/dbraw/zinc/65/25/00/598652500.db2.gz DUNBDIOMGDGXLU-AWEZNQCLSA-N -1 3 398.426 3.818 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c2ccccc21 ZINC000736289584 598652502 /nfs/dbraw/zinc/65/25/02/598652502.db2.gz DUNBDIOMGDGXLU-AWEZNQCLSA-N -1 3 398.426 3.818 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736278111 598652718 /nfs/dbraw/zinc/65/27/18/598652718.db2.gz FAYNSWVCICCJEP-OAHLLOKOSA-N -1 3 377.448 3.566 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736278111 598652719 /nfs/dbraw/zinc/65/27/19/598652719.db2.gz FAYNSWVCICCJEP-OAHLLOKOSA-N -1 3 377.448 3.566 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]12 ZINC000736277020 598652730 /nfs/dbraw/zinc/65/27/30/598652730.db2.gz KPQVPAZUYCZWOB-AHRSYUTCSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]12 ZINC000736277020 598652732 /nfs/dbraw/zinc/65/27/32/598652732.db2.gz KPQVPAZUYCZWOB-AHRSYUTCSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736268531 598656775 /nfs/dbraw/zinc/65/67/75/598656775.db2.gz XUJNOCIHBOEWTK-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736268531 598656777 /nfs/dbraw/zinc/65/67/77/598656777.db2.gz XUJNOCIHBOEWTK-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000737941429 598657356 /nfs/dbraw/zinc/65/73/56/598657356.db2.gz AJIPTAYZRHEPHN-RTBURBONSA-N -1 3 393.516 3.801 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000737941429 598657358 /nfs/dbraw/zinc/65/73/58/598657358.db2.gz AJIPTAYZRHEPHN-RTBURBONSA-N -1 3 393.516 3.801 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc2[nH]ccc21 ZINC000737833423 598658389 /nfs/dbraw/zinc/65/83/89/598658389.db2.gz RMIZKWGIPLNJBZ-UHFFFAOYSA-N -1 3 376.420 3.536 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc2[nH]ccc21 ZINC000737833423 598658390 /nfs/dbraw/zinc/65/83/90/598658390.db2.gz RMIZKWGIPLNJBZ-UHFFFAOYSA-N -1 3 376.420 3.536 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737809873 598660825 /nfs/dbraw/zinc/66/08/25/598660825.db2.gz UYARYOVZBSFKJW-ZDUSSCGKSA-N -1 3 379.317 3.681 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737809873 598660826 /nfs/dbraw/zinc/66/08/26/598660826.db2.gz UYARYOVZBSFKJW-ZDUSSCGKSA-N -1 3 379.317 3.681 20 0 GHADHM CCCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736439208 598661652 /nfs/dbraw/zinc/66/16/52/598661652.db2.gz SJZLCJAWXHKOME-NLBZTSMMSA-N -1 3 391.475 3.936 20 0 GHADHM CCCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736439208 598661655 /nfs/dbraw/zinc/66/16/55/598661655.db2.gz SJZLCJAWXHKOME-NLBZTSMMSA-N -1 3 391.475 3.936 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737795614 598669716 /nfs/dbraw/zinc/66/97/16/598669716.db2.gz BBMZRGJNHOCBQO-BJIFSAINSA-N -1 3 379.851 3.549 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737795614 598669718 /nfs/dbraw/zinc/66/97/18/598669718.db2.gz BBMZRGJNHOCBQO-BJIFSAINSA-N -1 3 379.851 3.549 20 0 GHADHM Fc1cccc(COc2ccc(Nc3ccc(-c4nnn[n-]4)cn3)cc2F)c1 ZINC000737661737 598673573 /nfs/dbraw/zinc/67/35/73/598673573.db2.gz PJJQYHLNGQHWMT-UHFFFAOYSA-N -1 3 380.358 3.863 20 0 GHADHM Fc1cccc(COc2ccc(Nc3ccc(-c4nn[n-]n4)cn3)cc2F)c1 ZINC000737661737 598673574 /nfs/dbraw/zinc/67/35/74/598673574.db2.gz PJJQYHLNGQHWMT-UHFFFAOYSA-N -1 3 380.358 3.863 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000736192325 598696055 /nfs/dbraw/zinc/69/60/55/598696055.db2.gz YEBCZYKVTGQMGT-CHWSQXEVSA-N -1 3 385.468 3.505 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000736192325 598696057 /nfs/dbraw/zinc/69/60/57/598696057.db2.gz YEBCZYKVTGQMGT-CHWSQXEVSA-N -1 3 385.468 3.505 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCC2(CCCCC2)C1 ZINC000737833171 598699146 /nfs/dbraw/zinc/69/91/46/598699146.db2.gz PVAHEPAPUKSXAB-UHFFFAOYSA-N -1 3 397.523 3.989 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCC2(CCCCC2)C1 ZINC000737833171 598699147 /nfs/dbraw/zinc/69/91/47/598699147.db2.gz PVAHEPAPUKSXAB-UHFFFAOYSA-N -1 3 397.523 3.989 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C(c1ccccc1)c1ccccc1 ZINC000738231367 598703689 /nfs/dbraw/zinc/70/36/89/598703689.db2.gz LTHZLIMVOXAUKH-UHFFFAOYSA-N -1 3 388.402 3.881 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C(c1ccccc1)c1ccccc1 ZINC000738231367 598703690 /nfs/dbraw/zinc/70/36/90/598703690.db2.gz LTHZLIMVOXAUKH-UHFFFAOYSA-N -1 3 388.402 3.881 20 0 GHADHM Cc1cc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)on1 ZINC000737263318 598703912 /nfs/dbraw/zinc/70/39/12/598703912.db2.gz STVJBMNZIHOQSD-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM Cc1cc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)on1 ZINC000737263318 598703913 /nfs/dbraw/zinc/70/39/13/598703913.db2.gz STVJBMNZIHOQSD-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737116620 598709780 /nfs/dbraw/zinc/70/97/80/598709780.db2.gz VEZSTNMNQXKHOU-CQSZACIVSA-N -1 3 396.422 3.568 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737116620 598709782 /nfs/dbraw/zinc/70/97/82/598709782.db2.gz VEZSTNMNQXKHOU-CQSZACIVSA-N -1 3 396.422 3.568 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1Oc1cccnc1 ZINC000738235447 598711348 /nfs/dbraw/zinc/71/13/48/598711348.db2.gz MKZLMQAKKDNKLT-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1Oc1cccnc1 ZINC000738235447 598711349 /nfs/dbraw/zinc/71/13/49/598711349.db2.gz MKZLMQAKKDNKLT-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113347 598723615 /nfs/dbraw/zinc/72/36/15/598723615.db2.gz YXRNZQNVZJVHIZ-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113347 598723617 /nfs/dbraw/zinc/72/36/17/598723617.db2.gz YXRNZQNVZJVHIZ-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM CC(C)(C)CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735604231 598735616 /nfs/dbraw/zinc/73/56/16/598735616.db2.gz SHONKWLARBFJQX-UHFFFAOYSA-N -1 3 383.418 3.974 20 0 GHADHM CC(C)(C)CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735604231 598735617 /nfs/dbraw/zinc/73/56/17/598735617.db2.gz SHONKWLARBFJQX-UHFFFAOYSA-N -1 3 383.418 3.974 20 0 GHADHM C[C@@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735986802 598739480 /nfs/dbraw/zinc/73/94/80/598739480.db2.gz URTWEMTYWXWVFG-CLVCIHKQSA-N -1 3 392.459 3.809 20 0 GHADHM C[C@@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735986802 598739481 /nfs/dbraw/zinc/73/94/81/598739481.db2.gz URTWEMTYWXWVFG-CLVCIHKQSA-N -1 3 392.459 3.809 20 0 GHADHM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736137328 598747512 /nfs/dbraw/zinc/74/75/12/598747512.db2.gz JRUZAUQYVWHJPN-SSDOTTSWSA-N -1 3 375.223 3.618 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736665504 598748577 /nfs/dbraw/zinc/74/85/77/598748577.db2.gz OWQSCSZIJUCVQC-AWEZNQCLSA-N -1 3 391.545 3.563 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736665504 598748578 /nfs/dbraw/zinc/74/85/78/598748578.db2.gz OWQSCSZIJUCVQC-AWEZNQCLSA-N -1 3 391.545 3.563 20 0 GHADHM CCN(CC1CC1)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736534188 598753141 /nfs/dbraw/zinc/75/31/41/598753141.db2.gz HMEDUWQBYXDNFP-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CCN(CC1CC1)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736534188 598753142 /nfs/dbraw/zinc/75/31/42/598753142.db2.gz HMEDUWQBYXDNFP-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000737420699 598772270 /nfs/dbraw/zinc/77/22/70/598772270.db2.gz GVYNXBQVHULEEG-CYBMUJFWSA-N -1 3 392.413 3.995 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000737420699 598772273 /nfs/dbraw/zinc/77/22/73/598772273.db2.gz GVYNXBQVHULEEG-CYBMUJFWSA-N -1 3 392.413 3.995 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737419129 598779879 /nfs/dbraw/zinc/77/98/79/598779879.db2.gz CPTUGQGOYQRCGY-AUUYWEPGSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737419129 598779880 /nfs/dbraw/zinc/77/98/80/598779880.db2.gz CPTUGQGOYQRCGY-AUUYWEPGSA-N -1 3 376.464 3.687 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000735874043 598781419 /nfs/dbraw/zinc/78/14/19/598781419.db2.gz LPPLAOGZJMLRGB-UHFFFAOYSA-N -1 3 375.436 3.791 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000735874043 598781420 /nfs/dbraw/zinc/78/14/20/598781420.db2.gz LPPLAOGZJMLRGB-UHFFFAOYSA-N -1 3 375.436 3.791 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100498 598789512 /nfs/dbraw/zinc/78/95/12/598789512.db2.gz YYUYTABCEIDWMB-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100498 598789514 /nfs/dbraw/zinc/78/95/14/598789514.db2.gz YYUYTABCEIDWMB-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM CC(C)(C)SCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735642711 598801221 /nfs/dbraw/zinc/80/12/21/598801221.db2.gz DXWBVQOVHWWRRU-UHFFFAOYSA-N -1 3 399.476 3.743 20 0 GHADHM CC(C)(C)SCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735642711 598801222 /nfs/dbraw/zinc/80/12/22/598801222.db2.gz DXWBVQOVHWWRRU-UHFFFAOYSA-N -1 3 399.476 3.743 20 0 GHADHM CCCCc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736467162 598806388 /nfs/dbraw/zinc/80/63/88/598806388.db2.gz WVDBQUXWULLVIQ-UHFFFAOYSA-N -1 3 387.447 3.647 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2OCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737632169 598817596 /nfs/dbraw/zinc/81/75/96/598817596.db2.gz KXDGCMSXXCLSBT-MRXNPFEDSA-N -1 3 375.354 3.611 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2OCCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737632169 598817599 /nfs/dbraw/zinc/81/75/99/598817599.db2.gz KXDGCMSXXCLSBT-MRXNPFEDSA-N -1 3 375.354 3.611 20 0 GHADHM COc1ccccc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737138850 598821724 /nfs/dbraw/zinc/82/17/24/598821724.db2.gz QHEBRPDPNDNJEQ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccccc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737138850 598821725 /nfs/dbraw/zinc/82/17/25/598821725.db2.gz QHEBRPDPNDNJEQ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CCC1 ZINC000821571823 599297354 /nfs/dbraw/zinc/29/73/54/599297354.db2.gz GWWBRDPGFJFVSP-UHFFFAOYSA-N -1 3 382.399 3.814 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CCC1 ZINC000821571823 599297356 /nfs/dbraw/zinc/29/73/56/599297356.db2.gz GWWBRDPGFJFVSP-UHFFFAOYSA-N -1 3 382.399 3.814 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736301056 599302958 /nfs/dbraw/zinc/30/29/58/599302958.db2.gz KFHJCEGXODWMQX-GCMKRCTNSA-N -1 3 391.500 3.585 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000736301056 599302961 /nfs/dbraw/zinc/30/29/61/599302961.db2.gz KFHJCEGXODWMQX-GCMKRCTNSA-N -1 3 391.500 3.585 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000737287409 599305926 /nfs/dbraw/zinc/30/59/26/599305926.db2.gz GORGFNCDGODDPM-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000737287409 599305928 /nfs/dbraw/zinc/30/59/28/599305928.db2.gz GORGFNCDGODDPM-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1cc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000737278238 599308578 /nfs/dbraw/zinc/30/85/78/599308578.db2.gz GZZVCUDYGJYHBO-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1cc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737278238 599308581 /nfs/dbraw/zinc/30/85/81/599308581.db2.gz GZZVCUDYGJYHBO-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM CCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505678 599311656 /nfs/dbraw/zinc/31/16/56/599311656.db2.gz QNHUTTGTXMTUIP-UHFFFAOYSA-N -1 3 375.432 3.825 20 0 GHADHM CCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505678 599311659 /nfs/dbraw/zinc/31/16/59/599311659.db2.gz QNHUTTGTXMTUIP-UHFFFAOYSA-N -1 3 375.432 3.825 20 0 GHADHM C[C@@H](NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736104432 599327745 /nfs/dbraw/zinc/32/77/45/599327745.db2.gz HKHXWNWWBOZQMQ-OLZOCXBDSA-N -1 3 385.468 3.677 20 0 GHADHM C[C@@H](NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736104432 599327747 /nfs/dbraw/zinc/32/77/47/599327747.db2.gz HKHXWNWWBOZQMQ-OLZOCXBDSA-N -1 3 385.468 3.677 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000736187416 599327967 /nfs/dbraw/zinc/32/79/67/599327967.db2.gz AGLYAWDJIZCPFZ-UONOGXRCSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000736187416 599327970 /nfs/dbraw/zinc/32/79/70/599327970.db2.gz AGLYAWDJIZCPFZ-UONOGXRCSA-N -1 3 399.495 3.547 20 0 GHADHM FC(F)(F)Sc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737626030 599331519 /nfs/dbraw/zinc/33/15/19/599331519.db2.gz GHWAYARIHALFAH-UHFFFAOYSA-N -1 3 381.383 3.970 20 0 GHADHM FC(F)(F)Sc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737626030 599331522 /nfs/dbraw/zinc/33/15/22/599331522.db2.gz GHWAYARIHALFAH-UHFFFAOYSA-N -1 3 381.383 3.970 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737380338 599344372 /nfs/dbraw/zinc/34/43/72/599344372.db2.gz NTDVVMRFNWKVEM-IBGZPJMESA-N -1 3 399.458 3.543 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737380338 599344373 /nfs/dbraw/zinc/34/43/73/599344373.db2.gz NTDVVMRFNWKVEM-IBGZPJMESA-N -1 3 399.458 3.543 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820031693 599346366 /nfs/dbraw/zinc/34/63/66/599346366.db2.gz HNTMTLXIZHEFKA-IFXJQAMLSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820031693 599346368 /nfs/dbraw/zinc/34/63/68/599346368.db2.gz HNTMTLXIZHEFKA-IFXJQAMLSA-N -1 3 393.516 3.961 20 0 GHADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCCN1c1ccccc1Cl ZINC000823514154 599346565 /nfs/dbraw/zinc/34/65/65/599346565.db2.gz XAFFAKQVYBGEBJ-MRXNPFEDSA-N -1 3 385.880 3.808 20 0 GHADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCCN1c1ccccc1Cl ZINC000823514154 599346568 /nfs/dbraw/zinc/34/65/68/599346568.db2.gz XAFFAKQVYBGEBJ-MRXNPFEDSA-N -1 3 385.880 3.808 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000820555099 599350098 /nfs/dbraw/zinc/35/00/98/599350098.db2.gz GCZBLGWKDMENDM-QWHCGFSZSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000820555099 599350101 /nfs/dbraw/zinc/35/01/01/599350101.db2.gz GCZBLGWKDMENDM-QWHCGFSZSA-N -1 3 393.472 3.971 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000823071065 599351634 /nfs/dbraw/zinc/35/16/34/599351634.db2.gz ZRTMWCMFUXWGNE-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(Cl)c(Cl)c1 ZINC000823071065 599351637 /nfs/dbraw/zinc/35/16/37/599351637.db2.gz ZRTMWCMFUXWGNE-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CN(C)c1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc2n1 ZINC000821588388 599360789 /nfs/dbraw/zinc/36/07/89/599360789.db2.gz PVTCUGSLSMHWCU-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM CN(C)c1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc2n1 ZINC000821588388 599360790 /nfs/dbraw/zinc/36/07/90/599360790.db2.gz PVTCUGSLSMHWCU-UHFFFAOYSA-N -1 3 379.855 3.746 20 0 GHADHM Brc1ccc(N2CCc3[nH]c4ccccc4c3C2)c(-c2nnn[n-]2)c1 ZINC000735368877 599361457 /nfs/dbraw/zinc/36/14/57/599361457.db2.gz OLQGKHDUFDCREL-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM Brc1ccc(N2CCc3[nH]c4ccccc4c3C2)c(-c2nn[n-]n2)c1 ZINC000735368877 599361460 /nfs/dbraw/zinc/36/14/60/599361460.db2.gz OLQGKHDUFDCREL-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM Fc1ccccc1C1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000737663075 599371008 /nfs/dbraw/zinc/37/10/08/599371008.db2.gz FKGZQWHNXGHLRU-UHFFFAOYSA-N -1 3 382.468 3.582 20 0 GHADHM Fc1ccccc1C1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000737663075 599371011 /nfs/dbraw/zinc/37/10/11/599371011.db2.gz FKGZQWHNXGHLRU-UHFFFAOYSA-N -1 3 382.468 3.582 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(c2ccccc2F)CC1 ZINC000738206654 599371107 /nfs/dbraw/zinc/37/11/07/599371107.db2.gz FZAJDVWDVILOAF-UHFFFAOYSA-N -1 3 383.452 3.616 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(c2ccccc2F)CC1 ZINC000738206654 599371110 /nfs/dbraw/zinc/37/11/10/599371110.db2.gz FZAJDVWDVILOAF-UHFFFAOYSA-N -1 3 383.452 3.616 20 0 GHADHM CCC[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)OCC ZINC000821020291 599371589 /nfs/dbraw/zinc/37/15/89/599371589.db2.gz AJYMAZPLLKYBDP-QGZVFWFLSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)OCC ZINC000821020291 599371592 /nfs/dbraw/zinc/37/15/92/599371592.db2.gz AJYMAZPLLKYBDP-QGZVFWFLSA-N -1 3 381.436 3.803 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc2occc2s1 ZINC000736627061 599371883 /nfs/dbraw/zinc/37/18/83/599371883.db2.gz IXFDFXJNIZTJQW-UHFFFAOYSA-N -1 3 390.808 3.946 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc2occc2s1 ZINC000736627061 599371885 /nfs/dbraw/zinc/37/18/85/599371885.db2.gz IXFDFXJNIZTJQW-UHFFFAOYSA-N -1 3 390.808 3.946 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415007 607372405 /nfs/dbraw/zinc/37/24/05/607372405.db2.gz ONMTXRKMMKCGSF-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415007 607372406 /nfs/dbraw/zinc/37/24/06/607372406.db2.gz ONMTXRKMMKCGSF-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820351409 599400863 /nfs/dbraw/zinc/40/08/63/599400863.db2.gz OLDGPHDOAGHZMN-HUUCEWRRSA-N -1 3 390.491 3.867 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820351409 599400866 /nfs/dbraw/zinc/40/08/66/599400866.db2.gz OLDGPHDOAGHZMN-HUUCEWRRSA-N -1 3 390.491 3.867 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736134272 599404165 /nfs/dbraw/zinc/40/41/65/599404165.db2.gz AJEWHACYSQAWEB-ZDUSSCGKSA-N -1 3 399.458 3.937 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736134272 599404167 /nfs/dbraw/zinc/40/41/67/599404167.db2.gz AJEWHACYSQAWEB-ZDUSSCGKSA-N -1 3 399.458 3.937 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000736137352 599419060 /nfs/dbraw/zinc/41/90/60/599419060.db2.gz JWCBGVCISJWBLH-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000736137352 599419063 /nfs/dbraw/zinc/41/90/63/599419063.db2.gz JWCBGVCISJWBLH-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364912 599419744 /nfs/dbraw/zinc/41/97/44/599419744.db2.gz GKJWLYCTVFVFJP-AWEZNQCLSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364912 599419746 /nfs/dbraw/zinc/41/97/46/599419746.db2.gz GKJWLYCTVFVFJP-AWEZNQCLSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820358313 599422695 /nfs/dbraw/zinc/42/26/95/599422695.db2.gz MIHJJOUBIFJPGU-APPDUMDISA-N -1 3 382.855 3.568 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820358313 599422699 /nfs/dbraw/zinc/42/26/99/599422699.db2.gz MIHJJOUBIFJPGU-APPDUMDISA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357075 599430270 /nfs/dbraw/zinc/43/02/70/599430270.db2.gz DRELELHXYVBBHX-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357075 599430274 /nfs/dbraw/zinc/43/02/74/599430274.db2.gz DRELELHXYVBBHX-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM COc1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000821803763 599434462 /nfs/dbraw/zinc/43/44/62/599434462.db2.gz HFZLTIAGXDLMTR-CYBMUJFWSA-N -1 3 392.488 3.850 20 0 GHADHM O[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc2ccccc2c1 ZINC000738385146 599434996 /nfs/dbraw/zinc/43/49/96/599434996.db2.gz WFTOZJGNVLRBHV-HXUWFJFHSA-N -1 3 382.427 3.714 20 0 GHADHM O[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc2ccccc2c1 ZINC000738385146 599434998 /nfs/dbraw/zinc/43/49/98/599434998.db2.gz WFTOZJGNVLRBHV-HXUWFJFHSA-N -1 3 382.427 3.714 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820563152 599461056 /nfs/dbraw/zinc/46/10/56/599461056.db2.gz OOVOXJDEACFPNG-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820563152 599461059 /nfs/dbraw/zinc/46/10/59/599461059.db2.gz OOVOXJDEACFPNG-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Oc2nccs2)c1 ZINC000738167760 599466895 /nfs/dbraw/zinc/46/68/95/599466895.db2.gz UHPNLSZVVPUVLD-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Oc2nccs2)c1 ZINC000738167760 599466897 /nfs/dbraw/zinc/46/68/97/599466897.db2.gz UHPNLSZVVPUVLD-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM C[C@H](NC(=O)N1CCC(C2CCCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341244 599473315 /nfs/dbraw/zinc/47/33/15/599473315.db2.gz PDAOUOQCOFIWPE-HNNXBMFYSA-N -1 3 382.512 3.930 20 0 GHADHM C[C@H](NC(=O)N1CCC(C2CCCCC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341244 599473319 /nfs/dbraw/zinc/47/33/19/599473319.db2.gz PDAOUOQCOFIWPE-HNNXBMFYSA-N -1 3 382.512 3.930 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000823363474 599478886 /nfs/dbraw/zinc/47/88/86/599478886.db2.gz FNVPWIPZYOUFAI-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000823363474 599478889 /nfs/dbraw/zinc/47/88/89/599478889.db2.gz FNVPWIPZYOUFAI-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821110016 599479893 /nfs/dbraw/zinc/47/98/93/599479893.db2.gz VPJRLTAYWDBKEW-HNNXBMFYSA-N -1 3 394.479 3.558 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821110016 599479896 /nfs/dbraw/zinc/47/98/96/599479896.db2.gz VPJRLTAYWDBKEW-HNNXBMFYSA-N -1 3 394.479 3.558 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820920372 599479993 /nfs/dbraw/zinc/47/99/93/599479993.db2.gz PJKXONLCXCTVLG-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820920372 599479996 /nfs/dbraw/zinc/47/99/96/599479996.db2.gz PJKXONLCXCTVLG-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821504780 599484005 /nfs/dbraw/zinc/48/40/05/599484005.db2.gz KLDADROEXLWUCU-AAEUAGOBSA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821504780 599484008 /nfs/dbraw/zinc/48/40/08/599484008.db2.gz KLDADROEXLWUCU-AAEUAGOBSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(OCC(C)C)CC1 ZINC000822204710 599487819 /nfs/dbraw/zinc/48/78/19/599487819.db2.gz YGPQPMGTVPGPLC-UHFFFAOYSA-N -1 3 384.459 3.504 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(OCC(C)C)CC1 ZINC000822204710 599487820 /nfs/dbraw/zinc/48/78/20/599487820.db2.gz YGPQPMGTVPGPLC-UHFFFAOYSA-N -1 3 384.459 3.504 20 0 GHADHM Clc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1 ZINC000822574681 599489026 /nfs/dbraw/zinc/48/90/26/599489026.db2.gz XLITWUAZFKFKCB-HNNXBMFYSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1 ZINC000822574681 599489029 /nfs/dbraw/zinc/48/90/29/599489029.db2.gz XLITWUAZFKFKCB-HNNXBMFYSA-N -1 3 376.247 3.751 20 0 GHADHM Fc1ccc(N[C@H]2CCOc3ccc(Br)cc32)c(-c2nnn[n-]2)c1 ZINC000822778498 599491771 /nfs/dbraw/zinc/49/17/71/599491771.db2.gz JNCKTMZJQVYYOE-AWEZNQCLSA-N -1 3 390.216 3.704 20 0 GHADHM Fc1ccc(N[C@H]2CCOc3ccc(Br)cc32)c(-c2nn[n-]n2)c1 ZINC000822778498 599491773 /nfs/dbraw/zinc/49/17/73/599491773.db2.gz JNCKTMZJQVYYOE-AWEZNQCLSA-N -1 3 390.216 3.704 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820232153 607381586 /nfs/dbraw/zinc/38/15/86/607381586.db2.gz FDDNRKIGLVPTAL-QFYYESIMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820232153 607381588 /nfs/dbraw/zinc/38/15/88/607381588.db2.gz FDDNRKIGLVPTAL-QFYYESIMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736233934 599503551 /nfs/dbraw/zinc/50/35/51/599503551.db2.gz HEXKOYGWQNNDQY-WCQYABFASA-N -1 3 384.390 3.555 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736233934 599503553 /nfs/dbraw/zinc/50/35/53/599503553.db2.gz HEXKOYGWQNNDQY-WCQYABFASA-N -1 3 384.390 3.555 20 0 GHADHM C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328107 599504318 /nfs/dbraw/zinc/50/43/18/599504318.db2.gz MIFVOYFAVXIDFS-MRXNPFEDSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328107 599504321 /nfs/dbraw/zinc/50/43/21/599504321.db2.gz MIFVOYFAVXIDFS-MRXNPFEDSA-N -1 3 399.454 3.790 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820881888 599507348 /nfs/dbraw/zinc/50/73/48/599507348.db2.gz DZIZNXGCYHOXRP-HUUCEWRRSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820881888 599507351 /nfs/dbraw/zinc/50/73/51/599507351.db2.gz DZIZNXGCYHOXRP-HUUCEWRRSA-N -1 3 379.464 3.636 20 0 GHADHM Fc1cccc(Oc2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cn2)c1 ZINC000822791015 599509493 /nfs/dbraw/zinc/50/94/93/599509493.db2.gz DLBOWKBYYLCEEH-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1cccc(Oc2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cn2)c1 ZINC000822791015 599509494 /nfs/dbraw/zinc/50/94/94/599509494.db2.gz DLBOWKBYYLCEEH-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000737360039 599509741 /nfs/dbraw/zinc/50/97/41/599509741.db2.gz JYNTWSCATDDXRC-SNVBAGLBSA-N -1 3 391.262 3.921 20 0 GHADHM Cc1ccc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000737360039 599509743 /nfs/dbraw/zinc/50/97/43/599509743.db2.gz JYNTWSCATDDXRC-SNVBAGLBSA-N -1 3 391.262 3.921 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cn2cc(Cl)ccc2n1 ZINC000737626847 599519498 /nfs/dbraw/zinc/51/94/98/599519498.db2.gz MRQABQBOGFNYGX-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM CC(C)Oc1ncccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735913630 599519510 /nfs/dbraw/zinc/51/95/10/599519510.db2.gz LLSOQNVDLIKYNK-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313075 599532935 /nfs/dbraw/zinc/53/29/35/599532935.db2.gz ACWZFGBXKHYPMP-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313075 599532938 /nfs/dbraw/zinc/53/29/38/599532938.db2.gz ACWZFGBXKHYPMP-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820555089 599534128 /nfs/dbraw/zinc/53/41/28/599534128.db2.gz FXZHUWISIRVBJD-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820555089 599534132 /nfs/dbraw/zinc/53/41/32/599534132.db2.gz FXZHUWISIRVBJD-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738408662 599538427 /nfs/dbraw/zinc/53/84/27/599538427.db2.gz NMJTZUQGGMGHGO-NVXWUHKLSA-N -1 3 378.505 3.565 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738408662 599538428 /nfs/dbraw/zinc/53/84/28/599538428.db2.gz NMJTZUQGGMGHGO-NVXWUHKLSA-N -1 3 378.505 3.565 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccsc1 ZINC000735570612 599539467 /nfs/dbraw/zinc/53/94/67/599539467.db2.gz OJZCLWILWCGYSQ-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccsc1 ZINC000735570612 599539469 /nfs/dbraw/zinc/53/94/69/599539469.db2.gz OJZCLWILWCGYSQ-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820684193 599547287 /nfs/dbraw/zinc/54/72/87/599547287.db2.gz MXAPBKDGXOHGQK-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820684193 599547290 /nfs/dbraw/zinc/54/72/90/599547290.db2.gz MXAPBKDGXOHGQK-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820686711 599547874 /nfs/dbraw/zinc/54/78/74/599547874.db2.gz ZNQUKFJZKKOZAP-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332904 599558287 /nfs/dbraw/zinc/55/82/87/599558287.db2.gz XQILGXOBZKTUJC-IIBYNOLFSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332904 599558290 /nfs/dbraw/zinc/55/82/90/599558290.db2.gz XQILGXOBZKTUJC-IIBYNOLFSA-N -1 3 375.476 3.717 20 0 GHADHM c1coc([C@H]2CCCCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823737008 599576967 /nfs/dbraw/zinc/57/69/67/599576967.db2.gz AGFPTZPLGFVHPO-MRXNPFEDSA-N -1 3 391.435 3.627 20 0 GHADHM c1coc([C@H]2CCCCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823737008 599576970 /nfs/dbraw/zinc/57/69/70/599576970.db2.gz AGFPTZPLGFVHPO-MRXNPFEDSA-N -1 3 391.435 3.627 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737320505 599614464 /nfs/dbraw/zinc/61/44/64/599614464.db2.gz LRGFUORDUUNTON-MRXNPFEDSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737320505 599614465 /nfs/dbraw/zinc/61/44/65/599614465.db2.gz LRGFUORDUUNTON-MRXNPFEDSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CC/C=C\c1ccccc1 ZINC000736036795 599617248 /nfs/dbraw/zinc/61/72/48/599617248.db2.gz IDJBQSNCUONNCX-AVFOEOQDSA-N -1 3 378.432 3.671 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CC/C=C\c1ccccc1 ZINC000736036795 599617249 /nfs/dbraw/zinc/61/72/49/599617249.db2.gz IDJBQSNCUONNCX-AVFOEOQDSA-N -1 3 378.432 3.671 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(-c2cscn2)c1 ZINC000821389196 599620722 /nfs/dbraw/zinc/62/07/22/599620722.db2.gz IJWHCBKQCJXQIR-UHFFFAOYSA-N -1 3 393.428 3.608 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(-c2cscn2)c1 ZINC000821389196 599620723 /nfs/dbraw/zinc/62/07/23/599620723.db2.gz IJWHCBKQCJXQIR-UHFFFAOYSA-N -1 3 393.428 3.608 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331345 599622379 /nfs/dbraw/zinc/62/23/79/599622379.db2.gz FQRYTNFNLVLGAO-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331345 599622380 /nfs/dbraw/zinc/62/23/80/599622380.db2.gz FQRYTNFNLVLGAO-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1csc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000822414548 599627178 /nfs/dbraw/zinc/62/71/78/599627178.db2.gz JZTNQTRMCWNBRB-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1csc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000822414548 599627179 /nfs/dbraw/zinc/62/71/79/599627179.db2.gz JZTNQTRMCWNBRB-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OC1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823413517 599628178 /nfs/dbraw/zinc/62/81/78/599628178.db2.gz IOJWGXGTCQVTKE-UHFFFAOYSA-N -1 3 399.838 3.594 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OC1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823413517 599628179 /nfs/dbraw/zinc/62/81/79/599628179.db2.gz IOJWGXGTCQVTKE-UHFFFAOYSA-N -1 3 399.838 3.594 20 0 GHADHM CSCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000821969767 599628206 /nfs/dbraw/zinc/62/82/06/599628206.db2.gz FCNJISMADOFJHS-UHFFFAOYSA-N -1 3 390.852 3.832 20 0 GHADHM CSCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000821969767 599628207 /nfs/dbraw/zinc/62/82/07/599628207.db2.gz FCNJISMADOFJHS-UHFFFAOYSA-N -1 3 390.852 3.832 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000822232767 599630055 /nfs/dbraw/zinc/63/00/55/599630055.db2.gz APQIWPGCDJXSRC-CRAIPNDOSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000822232767 599630056 /nfs/dbraw/zinc/63/00/56/599630056.db2.gz APQIWPGCDJXSRC-CRAIPNDOSA-N -1 3 397.866 3.935 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1Cl ZINC000823303551 599634409 /nfs/dbraw/zinc/63/44/09/599634409.db2.gz MKVZMKZCESIZAS-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1Cl ZINC000823303551 599634410 /nfs/dbraw/zinc/63/44/10/599634410.db2.gz MKVZMKZCESIZAS-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CC(C)CN(Cc1nnc(-c2cccc(F)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093041 599636512 /nfs/dbraw/zinc/63/65/12/599636512.db2.gz RXFLSWMKDSQFLI-UHFFFAOYSA-N -1 3 393.426 3.718 20 0 GHADHM Cc1cnc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)o1 ZINC000822388890 599638751 /nfs/dbraw/zinc/63/87/51/599638751.db2.gz FNEJYBJGPPNSJE-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM Cc1cnc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)o1 ZINC000822388890 599638752 /nfs/dbraw/zinc/63/87/52/599638752.db2.gz FNEJYBJGPPNSJE-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM O=c1[nH]c2ccc(N(Cc3ccc(-c4nnn[n-]4)cc3)[C@@H]3C=CCCC3)cc2[nH]1 ZINC000823656765 599640802 /nfs/dbraw/zinc/64/08/02/599640802.db2.gz HDTXJWOUMGOZGB-MRXNPFEDSA-N -1 3 387.447 3.564 20 0 GHADHM O=c1[nH]c2ccc(N(Cc3ccc(-c4nn[n-]n4)cc3)[C@@H]3C=CCCC3)cc2[nH]1 ZINC000823656765 599640803 /nfs/dbraw/zinc/64/08/03/599640803.db2.gz HDTXJWOUMGOZGB-MRXNPFEDSA-N -1 3 387.447 3.564 20 0 GHADHM CCC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000820833033 599647735 /nfs/dbraw/zinc/64/77/35/599647735.db2.gz QSNBNKVASQZZRU-QINSGFPZSA-N -1 3 381.867 3.972 20 0 GHADHM CCC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000820833033 599647736 /nfs/dbraw/zinc/64/77/36/599647736.db2.gz QSNBNKVASQZZRU-QINSGFPZSA-N -1 3 381.867 3.972 20 0 GHADHM CCC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820832273 599647901 /nfs/dbraw/zinc/64/79/01/599647901.db2.gz ISXBWXJGHOBOBH-NTCAYCPXSA-N -1 3 381.867 3.972 20 0 GHADHM CCC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820832273 599647902 /nfs/dbraw/zinc/64/79/02/599647902.db2.gz ISXBWXJGHOBOBH-NTCAYCPXSA-N -1 3 381.867 3.972 20 0 GHADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148341 599648571 /nfs/dbraw/zinc/64/85/71/599648571.db2.gz NVNZXONVEDDDKU-IAGOWNOFSA-N -1 3 393.491 3.881 20 0 GHADHM CCN(C(=O)[C@H](C)CCOc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148341 599648572 /nfs/dbraw/zinc/64/85/72/599648572.db2.gz NVNZXONVEDDDKU-IAGOWNOFSA-N -1 3 393.491 3.881 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821480452 599668320 /nfs/dbraw/zinc/66/83/20/599668320.db2.gz CHHRIPHRTDSFMV-KSSFIOAISA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821480452 599668321 /nfs/dbraw/zinc/66/83/21/599668321.db2.gz CHHRIPHRTDSFMV-KSSFIOAISA-N -1 3 394.479 3.705 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822355946 599674209 /nfs/dbraw/zinc/67/42/09/599674209.db2.gz CSBRXUCCERTQBN-HNNXBMFYSA-N -1 3 378.480 3.557 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822355946 599674210 /nfs/dbraw/zinc/67/42/10/599674210.db2.gz CSBRXUCCERTQBN-HNNXBMFYSA-N -1 3 378.480 3.557 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822355944 599680877 /nfs/dbraw/zinc/68/08/77/599680877.db2.gz CRUHKBKJELWPCJ-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822355944 599680878 /nfs/dbraw/zinc/68/08/78/599680878.db2.gz CRUHKBKJELWPCJ-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820506445 599684030 /nfs/dbraw/zinc/68/40/30/599684030.db2.gz ADMIUQSRTBZIKE-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820506445 599684031 /nfs/dbraw/zinc/68/40/31/599684031.db2.gz ADMIUQSRTBZIKE-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000823387725 599696283 /nfs/dbraw/zinc/69/62/83/599696283.db2.gz WAJXAQVCPRUGBD-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000823387725 599696284 /nfs/dbraw/zinc/69/62/84/599696284.db2.gz WAJXAQVCPRUGBD-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM CC(C)N(Cc1ccoc1C(=O)[O-])C[C@H](O)COc1cccc2ccccc21 ZINC000736473653 599814597 /nfs/dbraw/zinc/81/45/97/599814597.db2.gz BTIDRACIEAOINL-SFHVURJKSA-N -1 3 383.444 3.781 20 0 GHADHM CCOCCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCCC1 ZINC000821373878 607397036 /nfs/dbraw/zinc/39/70/36/607397036.db2.gz NFYPGRDYHFXPQC-UHFFFAOYSA-N -1 3 387.484 3.579 20 0 GHADHM CCOCCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCCC1 ZINC000821373878 607397038 /nfs/dbraw/zinc/39/70/38/607397038.db2.gz NFYPGRDYHFXPQC-UHFFFAOYSA-N -1 3 387.484 3.579 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(-c2cscn2)c1 ZINC000826254363 607407121 /nfs/dbraw/zinc/40/71/21/607407121.db2.gz IAFDGYZFEADKMX-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(-c2cscn2)c1 ZINC000826254363 607407123 /nfs/dbraw/zinc/40/71/23/607407123.db2.gz IAFDGYZFEADKMX-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CNC(=O)c1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC000737544439 599978023 /nfs/dbraw/zinc/97/80/23/599978023.db2.gz JEAWITBEZIIGEQ-INIZCTEOSA-N -1 3 381.259 3.611 20 0 GHADHM COc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)N2CCCC2)cc1 ZINC000737957657 600015613 /nfs/dbraw/zinc/01/56/13/600015613.db2.gz RFVOTNXSAVNVKA-HXUWFJFHSA-N -1 3 397.475 3.660 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)cc1 ZINC000738625135 600099538 /nfs/dbraw/zinc/09/95/38/600099538.db2.gz RBNIMWRNQZDUON-MRXNPFEDSA-N -1 3 399.466 3.866 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000820169608 607426201 /nfs/dbraw/zinc/42/62/01/607426201.db2.gz KOLLROGWCGPKCT-UHFFFAOYSA-N -1 3 392.419 3.722 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000820169608 607426202 /nfs/dbraw/zinc/42/62/02/607426202.db2.gz KOLLROGWCGPKCT-UHFFFAOYSA-N -1 3 392.419 3.722 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000823943958 607426330 /nfs/dbraw/zinc/42/63/30/607426330.db2.gz VYSAILBAGNSOGS-JLHYYAGUSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000823943958 607426331 /nfs/dbraw/zinc/42/63/31/607426331.db2.gz VYSAILBAGNSOGS-JLHYYAGUSA-N -1 3 379.851 3.729 20 0 GHADHM Cc1cc(CNCc2ccnc(N3CCCCCC3)c2)cc(C)c1OCC(=O)[O-] ZINC000738393541 600172163 /nfs/dbraw/zinc/17/21/63/600172163.db2.gz VXMRGQQQZBQGDR-UHFFFAOYSA-N -1 3 397.519 3.832 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820944822 607431599 /nfs/dbraw/zinc/43/15/99/607431599.db2.gz OZVMINVBYMDONH-KRWDZBQOSA-N -1 3 395.467 3.664 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820944822 607431601 /nfs/dbraw/zinc/43/16/01/607431601.db2.gz OZVMINVBYMDONH-KRWDZBQOSA-N -1 3 395.467 3.664 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826282964 607434850 /nfs/dbraw/zinc/43/48/50/607434850.db2.gz HFSHUSRBJCEBLA-OAHLLOKOSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826282964 607434852 /nfs/dbraw/zinc/43/48/52/607434852.db2.gz HFSHUSRBJCEBLA-OAHLLOKOSA-N -1 3 379.464 3.729 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CN[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000740024875 600320825 /nfs/dbraw/zinc/32/08/25/600320825.db2.gz MPKSIAPAFVLFCR-NRFANRHFSA-N -1 3 381.476 3.914 20 0 GHADHM CN(C(=O)CCCCc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817113 607438522 /nfs/dbraw/zinc/43/85/22/607438522.db2.gz BEMWCADMZZCZNZ-UHFFFAOYSA-N -1 3 392.488 3.852 20 0 GHADHM CN(C(=O)CCCCc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817113 607438523 /nfs/dbraw/zinc/43/85/23/607438523.db2.gz BEMWCADMZZCZNZ-UHFFFAOYSA-N -1 3 392.488 3.852 20 0 GHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC000737204496 600434093 /nfs/dbraw/zinc/43/40/93/600434093.db2.gz SVBNIBGVXBVYHL-INIZCTEOSA-N -1 3 382.229 3.902 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1F ZINC000740006888 600543491 /nfs/dbraw/zinc/54/34/91/600543491.db2.gz FMRRJGDNCOPZPE-INIZCTEOSA-N -1 3 386.427 3.702 20 0 GHADHM O=C(NCCc1ccc2ccccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826439899 607454337 /nfs/dbraw/zinc/45/43/37/607454337.db2.gz PQOISBDKATUDHN-UHFFFAOYSA-N -1 3 398.470 3.551 20 0 GHADHM O=C(NCCc1ccc2ccccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826439899 607454338 /nfs/dbraw/zinc/45/43/38/607454338.db2.gz PQOISBDKATUDHN-UHFFFAOYSA-N -1 3 398.470 3.551 20 0 GHADHM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C2 ZINC000740202567 600566894 /nfs/dbraw/zinc/56/68/94/600566894.db2.gz LJFDJGKZXKGTMW-OAQYLSRUSA-N -1 3 393.487 3.637 20 0 GHADHM O=C([O-])c1cccc(-c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 ZINC000833328052 600695866 /nfs/dbraw/zinc/69/58/66/600695866.db2.gz SIAREXZSCINFOX-KRWDZBQOSA-N -1 3 381.407 3.954 20 0 GHADHM O=C([O-])[C@H](NCCOc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000833167088 600739877 /nfs/dbraw/zinc/73/98/77/600739877.db2.gz XGNFBFXYSVCCBZ-MRXNPFEDSA-N -1 3 384.215 3.516 20 0 GHADHM COc1cccc(N2CC[C@H](N[C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)c1 ZINC000832563081 600746805 /nfs/dbraw/zinc/74/68/05/600746805.db2.gz VDQSJPDYCJWJPQ-SCLBCKFNSA-N -1 3 395.286 3.996 20 0 GHADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CNc2ccccn2)C1 ZINC000833171803 600994927 /nfs/dbraw/zinc/99/49/27/600994927.db2.gz QAYKIEZWDHCMTG-YVEFUNNKSA-N -1 3 380.275 3.948 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276366 601029584 /nfs/dbraw/zinc/02/95/84/601029584.db2.gz BFKBIPMOENSFSK-KRWDZBQOSA-N -1 3 396.491 3.929 20 0 GHADHM CC[C@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000829152704 601114760 /nfs/dbraw/zinc/11/47/60/601114760.db2.gz ZJVMDXPIDIVRCM-RXVVDRJESA-N -1 3 395.503 3.908 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1ccccc1 ZINC000826044800 601655373 /nfs/dbraw/zinc/65/53/73/601655373.db2.gz LQQRFUWKTIEZML-JTSKRJEESA-N -1 3 392.455 3.864 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044417 601656470 /nfs/dbraw/zinc/65/64/70/601656470.db2.gz GLWMZUXSKRMFRG-BXTJHSDWSA-N -1 3 388.895 3.911 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccccc1 ZINC000826045756 601656588 /nfs/dbraw/zinc/65/65/88/601656588.db2.gz YHUMFMGFKZNVKJ-UTKZUKDTSA-N -1 3 382.504 3.865 20 0 GHADHM COc1ccc(CSCc2nc(-c3ccccc3C)no2)cc1-c1nnn[n-]1 ZINC000826208189 607534571 /nfs/dbraw/zinc/53/45/71/607534571.db2.gz XQQCXPGKBRZPJU-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSCc2nc(-c3ccccc3C)no2)cc1-c1nn[n-]n1 ZINC000826208189 607534573 /nfs/dbraw/zinc/53/45/73/607534573.db2.gz XQQCXPGKBRZPJU-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000833170060 602039010 /nfs/dbraw/zinc/03/90/10/602039010.db2.gz FDHONOPOFYZQQN-SJCJKPOMSA-N -1 3 380.275 3.948 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000826284273 607541508 /nfs/dbraw/zinc/54/15/08/607541508.db2.gz ONUPFUGMXSUXBR-IBGZPJMESA-N -1 3 377.427 3.673 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000826284273 607541510 /nfs/dbraw/zinc/54/15/10/607541510.db2.gz ONUPFUGMXSUXBR-IBGZPJMESA-N -1 3 377.427 3.673 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2ccc(F)cc2CSC)C(=O)[O-])c1 ZINC000832056536 602176009 /nfs/dbraw/zinc/17/60/09/602176009.db2.gz FRQXFNYNHMGUDX-SFHVURJKSA-N -1 3 379.453 3.621 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739614140 602507600 /nfs/dbraw/zinc/50/76/00/602507600.db2.gz VAXSHOIDMPLJRQ-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1OCCC ZINC000825339092 607571025 /nfs/dbraw/zinc/57/10/25/607571025.db2.gz MKRLKORPIKDSEW-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1OCCC ZINC000825339092 607571026 /nfs/dbraw/zinc/57/10/26/607571026.db2.gz MKRLKORPIKDSEW-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cc2occc2[nH]1 ZINC000826455275 607571662 /nfs/dbraw/zinc/57/16/62/607571662.db2.gz HGQIMUXNIMVSGG-UHFFFAOYSA-N -1 3 386.371 3.986 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cc2occc2[nH]1 ZINC000826455275 607571664 /nfs/dbraw/zinc/57/16/64/607571664.db2.gz HGQIMUXNIMVSGG-UHFFFAOYSA-N -1 3 386.371 3.986 20 0 GHADHM O=C([O-])N1CCC[C@H]1CNCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000740470529 602594309 /nfs/dbraw/zinc/59/43/09/602594309.db2.gz PZGONUHJVACMCX-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3ccccc3)ns2)c(-c2nnn[n-]2)c1C ZINC000826349343 607575334 /nfs/dbraw/zinc/57/53/34/607575334.db2.gz FHOLSGLUJVVOHV-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3ccccc3)ns2)c(-c2nn[n-]n2)c1C ZINC000826349343 607575335 /nfs/dbraw/zinc/57/53/35/607575335.db2.gz FHOLSGLUJVVOHV-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1 ZINC000739608605 602606173 /nfs/dbraw/zinc/60/61/73/602606173.db2.gz PKTOTYZHBCQSAZ-LJQANCHMSA-N -1 3 382.464 3.542 20 0 GHADHM COc1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC000826200467 607615688 /nfs/dbraw/zinc/61/56/88/607615688.db2.gz RANISPBHCLKZAV-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC000826200467 607615689 /nfs/dbraw/zinc/61/56/89/607615689.db2.gz RANISPBHCLKZAV-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000740699872 603269533 /nfs/dbraw/zinc/26/95/33/603269533.db2.gz WTFJFOLVKYMEHX-GOSISDBHSA-N -1 3 387.867 3.997 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000826245264 607664875 /nfs/dbraw/zinc/66/48/75/607664875.db2.gz SKTWJODKGOEPHC-QGZVFWFLSA-N -1 3 386.459 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000826245264 607664877 /nfs/dbraw/zinc/66/48/77/607664877.db2.gz SKTWJODKGOEPHC-QGZVFWFLSA-N -1 3 386.459 3.676 20 0 GHADHM O=C([O-])NCCCOC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000832632527 604105304 /nfs/dbraw/zinc/10/53/04/604105304.db2.gz ITGWPBAAGUDVQY-UHFFFAOYSA-N -1 3 377.872 3.527 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Br)ccc1Cl ZINC000826249874 607681574 /nfs/dbraw/zinc/68/15/74/607681574.db2.gz ZDIBAJBELRXGLS-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Br)ccc1Cl ZINC000826249874 607681575 /nfs/dbraw/zinc/68/15/75/607681575.db2.gz ZDIBAJBELRXGLS-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n2)c(C)o1 ZINC000826243211 607685753 /nfs/dbraw/zinc/68/57/53/607685753.db2.gz YVTIJWPRFDLJEU-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)c(C)o1 ZINC000826243211 607685754 /nfs/dbraw/zinc/68/57/54/607685754.db2.gz YVTIJWPRFDLJEU-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000826249886 607702454 /nfs/dbraw/zinc/70/24/54/607702454.db2.gz ZSVSCVRBGYGCFV-UHFFFAOYSA-N -1 3 384.443 3.608 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000826249886 607702456 /nfs/dbraw/zinc/70/24/56/607702456.db2.gz ZSVSCVRBGYGCFV-UHFFFAOYSA-N -1 3 384.443 3.608 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000826246819 607703441 /nfs/dbraw/zinc/70/34/41/607703441.db2.gz MGJGENZOQMCUII-FQEVSTJZSA-N -1 3 387.418 3.834 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000826246819 607703442 /nfs/dbraw/zinc/70/34/42/607703442.db2.gz MGJGENZOQMCUII-FQEVSTJZSA-N -1 3 387.418 3.834 20 0 GHADHM Fc1ccc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cs2)cc1 ZINC000826372797 607704890 /nfs/dbraw/zinc/70/48/90/607704890.db2.gz MGOLSWVFKPBGGO-UHFFFAOYSA-N -1 3 392.463 3.908 20 0 GHADHM C[C@@H](OC[C@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000584726005 604848561 /nfs/dbraw/zinc/84/85/61/604848561.db2.gz WAUWSBANUHFOSV-JLTOFOAXSA-N -1 3 389.879 3.535 20 0 GHADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824384748 607723149 /nfs/dbraw/zinc/72/31/49/607723149.db2.gz GZPGRCQTXHCKTP-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824384748 607723151 /nfs/dbraw/zinc/72/31/51/607723151.db2.gz GZPGRCQTXHCKTP-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)C[C@H](O)COc1cccc2ccccc21 ZINC000833496304 605102121 /nfs/dbraw/zinc/10/21/21/605102121.db2.gz FNQPAWKMHIEOTK-SFHVURJKSA-N -1 3 382.460 3.516 20 0 GHADHM COc1cccc2[nH]cc(CCN[C@H](C(=O)[O-])c3c(F)cccc3Cl)c21 ZINC000833736024 605363163 /nfs/dbraw/zinc/36/31/63/605363163.db2.gz SLPXPYJLCSFUPJ-SFHVURJKSA-N -1 3 376.815 3.927 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNC2CCN(C(=O)[O-])CC2)on1 ZINC000833892152 605417558 /nfs/dbraw/zinc/41/75/58/605417558.db2.gz LDLAYLGQUPQGDF-UHFFFAOYSA-N -1 3 381.432 3.735 20 0 GHADHM CC[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(OC)cc1 ZINC000825080723 607756702 /nfs/dbraw/zinc/75/67/02/607756702.db2.gz BQMROZVHJNMRKD-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM CC[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(OC)cc1 ZINC000825080723 607756703 /nfs/dbraw/zinc/75/67/03/607756703.db2.gz BQMROZVHJNMRKD-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1)C(=O)[O-] ZINC000833543678 605491286 /nfs/dbraw/zinc/49/12/86/605491286.db2.gz UQGXWBHZQWWSNC-OAHLLOKOSA-N -1 3 387.501 3.664 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]1Cc1ccccc1 ZINC000824319540 607761409 /nfs/dbraw/zinc/76/14/09/607761409.db2.gz TYIXLKWHJJDNAL-KRWDZBQOSA-N -1 3 392.463 3.503 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]1Cc1ccccc1 ZINC000824319540 607761410 /nfs/dbraw/zinc/76/14/10/607761410.db2.gz TYIXLKWHJJDNAL-KRWDZBQOSA-N -1 3 392.463 3.503 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826225742 607763583 /nfs/dbraw/zinc/76/35/83/607763583.db2.gz JRTWNDFMLHYMQJ-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826225742 607763584 /nfs/dbraw/zinc/76/35/84/607763584.db2.gz JRTWNDFMLHYMQJ-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830445048 605589397 /nfs/dbraw/zinc/58/93/97/605589397.db2.gz DPHKPWKRDQSCAA-XLIONFOSSA-N -1 3 379.460 3.841 20 0 GHADHM CCc1oc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1C ZINC000825777283 607768675 /nfs/dbraw/zinc/76/86/75/607768675.db2.gz SCVYBGOOZVQVPY-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1oc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1C ZINC000825777283 607768676 /nfs/dbraw/zinc/76/86/76/607768676.db2.gz SCVYBGOOZVQVPY-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826283513 607768846 /nfs/dbraw/zinc/76/88/46/607768846.db2.gz SROISLITNZXVDC-LLVKDONJSA-N -1 3 380.433 3.634 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826283513 607768847 /nfs/dbraw/zinc/76/88/47/607768847.db2.gz SROISLITNZXVDC-LLVKDONJSA-N -1 3 380.433 3.634 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc2ccccc2n1 ZINC000826459332 607770724 /nfs/dbraw/zinc/77/07/24/607770724.db2.gz FWQGMHMPUJVZBX-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc2ccccc2n1 ZINC000826459332 607770725 /nfs/dbraw/zinc/77/07/25/607770725.db2.gz FWQGMHMPUJVZBX-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1nc2ccccc2cc1-c1nnn[n-]1)CC3 ZINC000822783031 606039736 /nfs/dbraw/zinc/03/97/36/606039736.db2.gz RDOIQOFBKRMHMV-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1nc2ccccc2cc1-c1nn[n-]n1)CC3 ZINC000822783031 606039739 /nfs/dbraw/zinc/03/97/39/606039739.db2.gz RDOIQOFBKRMHMV-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000819866437 606102465 /nfs/dbraw/zinc/10/24/65/606102465.db2.gz MTJOZVUXNVAWOI-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000819866437 606102467 /nfs/dbraw/zinc/10/24/67/606102467.db2.gz MTJOZVUXNVAWOI-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000822217535 606116165 /nfs/dbraw/zinc/11/61/65/606116165.db2.gz HJPLRYKJNNATEU-NVXWUHKLSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000822217535 606116166 /nfs/dbraw/zinc/11/61/66/606116166.db2.gz HJPLRYKJNNATEU-NVXWUHKLSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000822217787 606116490 /nfs/dbraw/zinc/11/64/90/606116490.db2.gz NMFUEPOMWSXQTO-UGSOOPFHSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000822217787 606116492 /nfs/dbraw/zinc/11/64/92/606116492.db2.gz NMFUEPOMWSXQTO-UGSOOPFHSA-N -1 3 380.427 3.929 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CC12CCCC2 ZINC000823350361 606148835 /nfs/dbraw/zinc/14/88/35/606148835.db2.gz KKARCEKYRBWZQE-LJQANCHMSA-N -1 3 389.459 3.965 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CC12CCCC2 ZINC000823350361 606148837 /nfs/dbraw/zinc/14/88/37/606148837.db2.gz KKARCEKYRBWZQE-LJQANCHMSA-N -1 3 389.459 3.965 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000820342116 606162884 /nfs/dbraw/zinc/16/28/84/606162884.db2.gz TZZRMLSFEOLJOQ-IRXDYDNUSA-N -1 3 392.507 3.979 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000820342116 606162885 /nfs/dbraw/zinc/16/28/85/606162885.db2.gz TZZRMLSFEOLJOQ-IRXDYDNUSA-N -1 3 392.507 3.979 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nnn[n-]1 ZINC000822791945 606164780 /nfs/dbraw/zinc/16/47/80/606164780.db2.gz ODAHNCMKCZWXCH-OAHLLOKOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nn[n-]n1 ZINC000822791945 606164782 /nfs/dbraw/zinc/16/47/82/606164782.db2.gz ODAHNCMKCZWXCH-OAHLLOKOSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822419973 606183333 /nfs/dbraw/zinc/18/33/33/606183333.db2.gz YAEWDOKNJTZCQW-UHFFFAOYSA-N -1 3 392.444 3.633 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822419973 606183335 /nfs/dbraw/zinc/18/33/35/606183335.db2.gz YAEWDOKNJTZCQW-UHFFFAOYSA-N -1 3 392.444 3.633 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821411803 606184655 /nfs/dbraw/zinc/18/46/55/606184655.db2.gz BPZXLXDLYGJLSL-UHFFFAOYSA-N -1 3 381.436 3.695 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000821411803 606184658 /nfs/dbraw/zinc/18/46/58/606184658.db2.gz BPZXLXDLYGJLSL-UHFFFAOYSA-N -1 3 381.436 3.695 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000822351581 606196836 /nfs/dbraw/zinc/19/68/36/606196836.db2.gz OTJPXKBDUVCLAM-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000822351581 606196837 /nfs/dbraw/zinc/19/68/37/606196837.db2.gz OTJPXKBDUVCLAM-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)ccc21 ZINC000821565504 606207275 /nfs/dbraw/zinc/20/72/75/606207275.db2.gz VWTQVUBDYDGCGW-UHFFFAOYSA-N -1 3 385.431 3.585 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)ccc21 ZINC000821565504 606207278 /nfs/dbraw/zinc/20/72/78/606207278.db2.gz VWTQVUBDYDGCGW-UHFFFAOYSA-N -1 3 385.431 3.585 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822211961 606236276 /nfs/dbraw/zinc/23/62/76/606236276.db2.gz VOIKRVBAMORIJB-ZWKOTPCHSA-N -1 3 375.432 3.952 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822211961 606236278 /nfs/dbraw/zinc/23/62/78/606236278.db2.gz VOIKRVBAMORIJB-ZWKOTPCHSA-N -1 3 375.432 3.952 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Oc2nccs2)c1 ZINC000823347508 606272473 /nfs/dbraw/zinc/27/24/73/606272473.db2.gz YXABZRNTRSJPLN-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Oc2nccs2)c1 ZINC000823347508 606272474 /nfs/dbraw/zinc/27/24/74/606272474.db2.gz YXABZRNTRSJPLN-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccsc2c1 ZINC000821123202 606282119 /nfs/dbraw/zinc/28/21/19/606282119.db2.gz MLRBZOWDRKBUOH-UHFFFAOYSA-N -1 3 379.449 3.551 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820868592 606300685 /nfs/dbraw/zinc/30/06/85/606300685.db2.gz AWJKRLFSXMKWSE-CQSZACIVSA-N -1 3 380.452 3.562 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820868592 606300687 /nfs/dbraw/zinc/30/06/87/606300687.db2.gz AWJKRLFSXMKWSE-CQSZACIVSA-N -1 3 380.452 3.562 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OCCC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645432 606310150 /nfs/dbraw/zinc/31/01/50/606310150.db2.gz ZKUDDQVRALIPCE-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OCCC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645432 606310151 /nfs/dbraw/zinc/31/01/51/606310151.db2.gz ZKUDDQVRALIPCE-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM C[C@@H](S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccc(F)cc1 ZINC000820550149 606310826 /nfs/dbraw/zinc/31/08/26/606310826.db2.gz VAVKZZBAVHFCJG-YGRLFVJLSA-N -1 3 389.481 3.667 20 0 GHADHM C[C@@H](S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccc(F)cc1 ZINC000820550149 606310828 /nfs/dbraw/zinc/31/08/28/606310828.db2.gz VAVKZZBAVHFCJG-YGRLFVJLSA-N -1 3 389.481 3.667 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820939046 606335746 /nfs/dbraw/zinc/33/57/46/606335746.db2.gz PFQNPAFWHTUOSA-INIZCTEOSA-N -1 3 399.426 3.589 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820939046 606335747 /nfs/dbraw/zinc/33/57/47/606335747.db2.gz PFQNPAFWHTUOSA-INIZCTEOSA-N -1 3 399.426 3.589 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821436884 606344866 /nfs/dbraw/zinc/34/48/66/606344866.db2.gz HBJKTSTZIJINBC-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821436884 606344868 /nfs/dbraw/zinc/34/48/68/606344868.db2.gz HBJKTSTZIJINBC-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000820206397 606350690 /nfs/dbraw/zinc/35/06/90/606350690.db2.gz JJNGCBGFXPUCRN-LLVKDONJSA-N -1 3 396.476 3.856 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000820206397 606350691 /nfs/dbraw/zinc/35/06/91/606350691.db2.gz JJNGCBGFXPUCRN-LLVKDONJSA-N -1 3 396.476 3.856 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000821505836 606352819 /nfs/dbraw/zinc/35/28/19/606352819.db2.gz UFSXZDHCBUEOPC-JTQLQIEISA-N -1 3 389.460 3.558 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000821505836 606352821 /nfs/dbraw/zinc/35/28/21/606352821.db2.gz UFSXZDHCBUEOPC-JTQLQIEISA-N -1 3 389.460 3.558 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351932 606353187 /nfs/dbraw/zinc/35/31/87/606353187.db2.gz RPOZPXSQVROZEJ-ZIAGYGMSSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351932 606353188 /nfs/dbraw/zinc/35/31/88/606353188.db2.gz RPOZPXSQVROZEJ-ZIAGYGMSSA-N -1 3 380.427 3.724 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc2nccn2c1 ZINC000823455138 606362289 /nfs/dbraw/zinc/36/22/89/606362289.db2.gz WWFVYEKJAFWUAG-UHFFFAOYSA-N -1 3 398.382 3.526 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939686 606362330 /nfs/dbraw/zinc/36/23/30/606362330.db2.gz XDRIPIGCIPKXOJ-BLLLJJGKSA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939686 606362331 /nfs/dbraw/zinc/36/23/31/606362331.db2.gz XDRIPIGCIPKXOJ-BLLLJJGKSA-N -1 3 385.855 3.555 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000822362584 606363250 /nfs/dbraw/zinc/36/32/50/606363250.db2.gz ZSRBJNRCGVPTPI-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000822362584 606363251 /nfs/dbraw/zinc/36/32/51/606363251.db2.gz ZSRBJNRCGVPTPI-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cnc2ccccc12 ZINC000822020877 606372650 /nfs/dbraw/zinc/37/26/50/606372650.db2.gz MEGRTYOHJGSHJI-UHFFFAOYSA-N -1 3 390.472 3.916 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cnc2ccccc12 ZINC000822020877 606372651 /nfs/dbraw/zinc/37/26/51/606372651.db2.gz MEGRTYOHJGSHJI-UHFFFAOYSA-N -1 3 390.472 3.916 20 0 GHADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570898 606412422 /nfs/dbraw/zinc/41/24/22/606412422.db2.gz PXVIOELHZQXZBI-UHFFFAOYSA-N -1 3 395.772 3.744 20 0 GHADHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570898 606412423 /nfs/dbraw/zinc/41/24/23/606412423.db2.gz PXVIOELHZQXZBI-UHFFFAOYSA-N -1 3 395.772 3.744 20 0 GHADHM CCNC(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821293385 606446535 /nfs/dbraw/zinc/44/65/35/606446535.db2.gz LBGUSEDDVOFEMS-UHFFFAOYSA-N -1 3 398.470 3.896 20 0 GHADHM CCNC(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821293385 606446537 /nfs/dbraw/zinc/44/65/37/606446537.db2.gz LBGUSEDDVOFEMS-UHFFFAOYSA-N -1 3 398.470 3.896 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000736125427 606471521 /nfs/dbraw/zinc/47/15/21/606471521.db2.gz KAMGBZDFTSBPIM-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000736125427 606471523 /nfs/dbraw/zinc/47/15/23/606471523.db2.gz KAMGBZDFTSBPIM-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM FC(F)(F)[C@H]1CCC[C@H](CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000822714143 606472713 /nfs/dbraw/zinc/47/27/13/606472713.db2.gz HGSZASVACIETTB-QWRGUYRKSA-N -1 3 384.431 3.522 20 0 GHADHM FC(F)(F)[C@H]1CCC[C@H](CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000822714143 606472715 /nfs/dbraw/zinc/47/27/15/606472715.db2.gz HGSZASVACIETTB-QWRGUYRKSA-N -1 3 384.431 3.522 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000823472436 606486501 /nfs/dbraw/zinc/48/65/01/606486501.db2.gz MINWVDWZUJQBGE-OAHLLOKOSA-N -1 3 399.526 3.839 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000823472436 606486503 /nfs/dbraw/zinc/48/65/03/606486503.db2.gz MINWVDWZUJQBGE-OAHLLOKOSA-N -1 3 399.526 3.839 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000823108447 606489853 /nfs/dbraw/zinc/48/98/53/606489853.db2.gz NNESJGHAZLJGCA-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000823108447 606489854 /nfs/dbraw/zinc/48/98/54/606489854.db2.gz NNESJGHAZLJGCA-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821614464 606498834 /nfs/dbraw/zinc/49/88/34/606498834.db2.gz HMHALMKSVGRTGC-UHFFFAOYSA-N -1 3 390.472 3.817 20 0 GHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821614464 606498836 /nfs/dbraw/zinc/49/88/36/606498836.db2.gz HMHALMKSVGRTGC-UHFFFAOYSA-N -1 3 390.472 3.817 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823379706 606513019 /nfs/dbraw/zinc/51/30/19/606513019.db2.gz FHEIBNYQEJFFSC-UHFFFAOYSA-N -1 3 382.474 3.669 20 0 GHADHM O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823379706 606513021 /nfs/dbraw/zinc/51/30/21/606513021.db2.gz FHEIBNYQEJFFSC-UHFFFAOYSA-N -1 3 382.474 3.669 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCCC1 ZINC000819876377 606526822 /nfs/dbraw/zinc/52/68/22/606526822.db2.gz GLVXZEKEOPIKNI-LBPRGKRZSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCCC1 ZINC000819876377 606526824 /nfs/dbraw/zinc/52/68/24/606526824.db2.gz GLVXZEKEOPIKNI-LBPRGKRZSA-N -1 3 382.493 3.679 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000823109038 606540857 /nfs/dbraw/zinc/54/08/57/606540857.db2.gz VYHLWDNHUWFSCG-UHFFFAOYSA-N -1 3 376.445 3.535 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000823109038 606540858 /nfs/dbraw/zinc/54/08/58/606540858.db2.gz VYHLWDNHUWFSCG-UHFFFAOYSA-N -1 3 376.445 3.535 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)O[C@H](C1CCCC1)C(F)(F)F ZINC000823066157 606549090 /nfs/dbraw/zinc/54/90/90/606549090.db2.gz NNLMRBPDXADFPN-CQSZACIVSA-N -1 3 386.399 3.623 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)O[C@H](C1CCCC1)C(F)(F)F ZINC000823066157 606549091 /nfs/dbraw/zinc/54/90/91/606549091.db2.gz NNLMRBPDXADFPN-CQSZACIVSA-N -1 3 386.399 3.623 20 0 GHADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000823027085 606562859 /nfs/dbraw/zinc/56/28/59/606562859.db2.gz LDYIUHRCIGYRTI-UHFFFAOYSA-N -1 3 390.424 3.635 20 0 GHADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000823027085 606562861 /nfs/dbraw/zinc/56/28/61/606562861.db2.gz LDYIUHRCIGYRTI-UHFFFAOYSA-N -1 3 390.424 3.635 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820742166 606572871 /nfs/dbraw/zinc/57/28/71/606572871.db2.gz HUBYXFRYCKINDO-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820742166 606572873 /nfs/dbraw/zinc/57/28/73/606572873.db2.gz HUBYXFRYCKINDO-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@@H]1C ZINC000820743038 606574323 /nfs/dbraw/zinc/57/43/23/606574323.db2.gz PRAQLHXMROQARG-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@@H]1C ZINC000820743038 606574325 /nfs/dbraw/zinc/57/43/25/606574325.db2.gz PRAQLHXMROQARG-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NC1CC(C)C1 ZINC000822211733 606574568 /nfs/dbraw/zinc/57/45/68/606574568.db2.gz MLQALHWODFDBGE-UHFFFAOYSA-N -1 3 378.436 3.887 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NC1CC(C)C1 ZINC000822211733 606574570 /nfs/dbraw/zinc/57/45/70/606574570.db2.gz MLQALHWODFDBGE-UHFFFAOYSA-N -1 3 378.436 3.887 20 0 GHADHM CC1CC(NC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)C1 ZINC000820658493 606575788 /nfs/dbraw/zinc/57/57/88/606575788.db2.gz SINHTCFWOATWEY-UHFFFAOYSA-N -1 3 396.426 3.505 20 0 GHADHM CC1CC(NC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)C1 ZINC000820658493 606575790 /nfs/dbraw/zinc/57/57/90/606575790.db2.gz SINHTCFWOATWEY-UHFFFAOYSA-N -1 3 396.426 3.505 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823093059 606576688 /nfs/dbraw/zinc/57/66/88/606576688.db2.gz SULPKDRRQZNKQI-JOCHJYFZSA-N -1 3 395.466 3.735 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823093059 606576690 /nfs/dbraw/zinc/57/66/90/606576690.db2.gz SULPKDRRQZNKQI-JOCHJYFZSA-N -1 3 395.466 3.735 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821685626 606578421 /nfs/dbraw/zinc/57/84/21/606578421.db2.gz LDEAAPPTKSYWLN-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821685626 606578423 /nfs/dbraw/zinc/57/84/23/606578423.db2.gz LDEAAPPTKSYWLN-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820901334 606592748 /nfs/dbraw/zinc/59/27/48/606592748.db2.gz BGBHXERTXRGAHD-QGZVFWFLSA-N -1 3 396.539 3.558 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820901334 606592750 /nfs/dbraw/zinc/59/27/50/606592750.db2.gz BGBHXERTXRGAHD-QGZVFWFLSA-N -1 3 396.539 3.558 20 0 GHADHM FC(F)Oc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822731900 606595396 /nfs/dbraw/zinc/59/53/96/606595396.db2.gz DQQCVQSCNFZIDV-UHFFFAOYSA-N -1 3 384.289 3.649 20 0 GHADHM FC(F)Oc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822731900 606595397 /nfs/dbraw/zinc/59/53/97/606595397.db2.gz DQQCVQSCNFZIDV-UHFFFAOYSA-N -1 3 384.289 3.649 20 0 GHADHM CN(C)C(=O)Sc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000821577954 606596593 /nfs/dbraw/zinc/59/65/93/606596593.db2.gz GFFCPIQAYXDIBY-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM CN(C)C(=O)Sc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000821577954 606596595 /nfs/dbraw/zinc/59/65/95/606596595.db2.gz GFFCPIQAYXDIBY-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823360355 606613704 /nfs/dbraw/zinc/61/37/04/606613704.db2.gz ZYDRRNYMLKZLMI-JOCHJYFZSA-N -1 3 388.475 3.769 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823360355 606613705 /nfs/dbraw/zinc/61/37/05/606613705.db2.gz ZYDRRNYMLKZLMI-JOCHJYFZSA-N -1 3 388.475 3.769 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456060 606626676 /nfs/dbraw/zinc/62/66/76/606626676.db2.gz MYMBGTNFUPCLKN-KGLIPLIRSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456060 606626678 /nfs/dbraw/zinc/62/66/78/606626678.db2.gz MYMBGTNFUPCLKN-KGLIPLIRSA-N -1 3 396.973 3.871 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000820384460 606661745 /nfs/dbraw/zinc/66/17/45/606661745.db2.gz FQNYKAMEKCQDCM-QMMMGPOBSA-N -1 3 397.307 3.655 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000820384460 606661746 /nfs/dbraw/zinc/66/17/46/606661746.db2.gz FQNYKAMEKCQDCM-QMMMGPOBSA-N -1 3 397.307 3.655 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)cs1 ZINC000822418759 606662963 /nfs/dbraw/zinc/66/29/63/606662963.db2.gz FRGRMNSGOXJJKL-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2)cs1 ZINC000822418759 606662964 /nfs/dbraw/zinc/66/29/64/606662964.db2.gz FRGRMNSGOXJJKL-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823387504 606665025 /nfs/dbraw/zinc/66/50/25/606665025.db2.gz NDSJOOXUYSKGCK-DZGCQCFKSA-N -1 3 379.489 3.624 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823387504 606665026 /nfs/dbraw/zinc/66/50/26/606665026.db2.gz NDSJOOXUYSKGCK-DZGCQCFKSA-N -1 3 379.489 3.624 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1Cl ZINC000820385178 606667690 /nfs/dbraw/zinc/66/76/90/606667690.db2.gz QKRABNZSOHBNCC-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1Cl ZINC000820385178 606667691 /nfs/dbraw/zinc/66/76/91/606667691.db2.gz QKRABNZSOHBNCC-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM O=C(Nc1cccc(-c2nccs2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823358798 606672201 /nfs/dbraw/zinc/67/22/01/606672201.db2.gz FPYYJWPEJBIADL-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cccc(-c2nccs2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823358798 606672202 /nfs/dbraw/zinc/67/22/02/606672202.db2.gz FPYYJWPEJBIADL-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CC1(C)CC[C@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000820589104 606675317 /nfs/dbraw/zinc/67/53/17/606675317.db2.gz ADRKMTUGMHYRRS-INIZCTEOSA-N -1 3 383.402 3.687 20 0 GHADHM CC1(C)CC[C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000820589104 606675318 /nfs/dbraw/zinc/67/53/18/606675318.db2.gz ADRKMTUGMHYRRS-INIZCTEOSA-N -1 3 383.402 3.687 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H](c1ccccc1)C(F)(F)F ZINC000821571731 606677653 /nfs/dbraw/zinc/67/76/53/606677653.db2.gz CGEASMNGFJADEW-CQSZACIVSA-N -1 3 397.307 3.521 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H](c1ccccc1)C(F)(F)F ZINC000821571731 606677654 /nfs/dbraw/zinc/67/76/54/606677654.db2.gz CGEASMNGFJADEW-CQSZACIVSA-N -1 3 397.307 3.521 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1csc2ccccc21 ZINC000820384768 606678142 /nfs/dbraw/zinc/67/81/42/606678142.db2.gz LLHHUGKBSIAQSN-SECBINFHSA-N -1 3 385.399 3.851 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1csc2ccccc21 ZINC000820384768 606678143 /nfs/dbraw/zinc/67/81/43/606678143.db2.gz LLHHUGKBSIAQSN-SECBINFHSA-N -1 3 385.399 3.851 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822958861 606678383 /nfs/dbraw/zinc/67/83/83/606678383.db2.gz KJUIUYISZUAJRZ-UHFFFAOYSA-N -1 3 395.463 3.860 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822958861 606678384 /nfs/dbraw/zinc/67/83/84/606678384.db2.gz KJUIUYISZUAJRZ-UHFFFAOYSA-N -1 3 395.463 3.860 20 0 GHADHM C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820497516 606686478 /nfs/dbraw/zinc/68/64/78/606686478.db2.gz SPZMKCGZXSDCEI-NSHDSACASA-N -1 3 390.415 3.683 20 0 GHADHM C[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820497516 606686479 /nfs/dbraw/zinc/68/64/79/606686479.db2.gz SPZMKCGZXSDCEI-NSHDSACASA-N -1 3 390.415 3.683 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000820989325 606689753 /nfs/dbraw/zinc/68/97/53/606689753.db2.gz QLZYAUUZFJJBLL-CQSZACIVSA-N -1 3 379.489 3.890 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000820989325 606689754 /nfs/dbraw/zinc/68/97/54/606689754.db2.gz QLZYAUUZFJJBLL-CQSZACIVSA-N -1 3 379.489 3.890 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1sccc1-c1nnn[n-]1 ZINC000823331919 606692324 /nfs/dbraw/zinc/69/23/24/606692324.db2.gz ISFGUBYMMKVBBY-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1sccc1-c1nn[n-]n1 ZINC000823331919 606692325 /nfs/dbraw/zinc/69/23/25/606692325.db2.gz ISFGUBYMMKVBBY-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc2ccncc21 ZINC000823731955 606695205 /nfs/dbraw/zinc/69/52/05/606695205.db2.gz HPUAAGQBCYUDNW-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc2ccncc21 ZINC000823731955 606695206 /nfs/dbraw/zinc/69/52/06/606695206.db2.gz HPUAAGQBCYUDNW-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820988836 606696351 /nfs/dbraw/zinc/69/63/51/606696351.db2.gz HNVXKZIGXRMWPJ-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000820988836 606696352 /nfs/dbraw/zinc/69/63/52/606696352.db2.gz HNVXKZIGXRMWPJ-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CCCCOc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821077511 606702740 /nfs/dbraw/zinc/70/27/40/606702740.db2.gz JFAYIHQMDCLLDF-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM CCCCOc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821077511 606702741 /nfs/dbraw/zinc/70/27/41/606702741.db2.gz JFAYIHQMDCLLDF-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821862425 606723358 /nfs/dbraw/zinc/72/33/58/606723358.db2.gz BIEZIZRYVLATSC-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821862425 606723360 /nfs/dbraw/zinc/72/33/60/606723360.db2.gz BIEZIZRYVLATSC-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCO[C@H](c4cccs4)C3)c2c1 ZINC000822195096 606726067 /nfs/dbraw/zinc/72/60/67/606726067.db2.gz HARGMWBWSYJBHO-INIZCTEOSA-N -1 3 392.488 3.671 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCO[C@H](c4cccs4)C3)c2c1 ZINC000822195096 606726068 /nfs/dbraw/zinc/72/60/68/606726068.db2.gz HARGMWBWSYJBHO-INIZCTEOSA-N -1 3 392.488 3.671 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000822229540 606743581 /nfs/dbraw/zinc/74/35/81/606743581.db2.gz WRTBRFWIORRPML-OAHLLOKOSA-N -1 3 396.470 3.995 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000822229540 606743582 /nfs/dbraw/zinc/74/35/82/606743582.db2.gz WRTBRFWIORRPML-OAHLLOKOSA-N -1 3 396.470 3.995 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823350379 606772819 /nfs/dbraw/zinc/77/28/19/606772819.db2.gz KZAUREJFSPIHHS-KSSFIOAISA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823350379 606772821 /nfs/dbraw/zinc/77/28/21/606772821.db2.gz KZAUREJFSPIHHS-KSSFIOAISA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000823331849 606783829 /nfs/dbraw/zinc/78/38/29/606783829.db2.gz HUSBSJAVTDKSPV-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000823331849 606783830 /nfs/dbraw/zinc/78/38/30/606783830.db2.gz HUSBSJAVTDKSPV-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM Cc1cccnc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822143732 606786115 /nfs/dbraw/zinc/78/61/15/606786115.db2.gz GSWOBFYYAZTZTR-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000822231018 606807709 /nfs/dbraw/zinc/80/77/09/606807709.db2.gz XTVWASGPNIEOSH-QFBILLFUSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000822231018 606807710 /nfs/dbraw/zinc/80/77/10/606807710.db2.gz XTVWASGPNIEOSH-QFBILLFUSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822122808 606850387 /nfs/dbraw/zinc/85/03/87/606850387.db2.gz QUFYFWTUXYAFTC-UHFFFAOYSA-N -1 3 396.470 3.702 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822122808 606850389 /nfs/dbraw/zinc/85/03/89/606850389.db2.gz QUFYFWTUXYAFTC-UHFFFAOYSA-N -1 3 396.470 3.702 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822214021 606861125 /nfs/dbraw/zinc/86/11/25/606861125.db2.gz LXNALVMHBZIRAV-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822214021 606861127 /nfs/dbraw/zinc/86/11/27/606861127.db2.gz LXNALVMHBZIRAV-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)O1 ZINC000820678768 606869794 /nfs/dbraw/zinc/86/97/94/606869794.db2.gz YCSXJEAERODHTF-APPDUMDISA-N -1 3 399.838 3.818 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)O1 ZINC000820678768 606869797 /nfs/dbraw/zinc/86/97/97/606869797.db2.gz YCSXJEAERODHTF-APPDUMDISA-N -1 3 399.838 3.818 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821449900 606869845 /nfs/dbraw/zinc/86/98/45/606869845.db2.gz YAWFXEPIWKHTMS-KGLIPLIRSA-N -1 3 391.545 3.561 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821449900 606869846 /nfs/dbraw/zinc/86/98/46/606869846.db2.gz YAWFXEPIWKHTMS-KGLIPLIRSA-N -1 3 391.545 3.561 20 0 GHADHM O[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823690666 606878309 /nfs/dbraw/zinc/87/83/09/606878309.db2.gz RBYBJBZUZRLYEI-MRXNPFEDSA-N -1 3 388.456 3.775 20 0 GHADHM O[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823690666 606878311 /nfs/dbraw/zinc/87/83/11/606878311.db2.gz RBYBJBZUZRLYEI-MRXNPFEDSA-N -1 3 388.456 3.775 20 0 GHADHM O[C@@H](CN(Cc1ccco1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823674582 606927246 /nfs/dbraw/zinc/92/72/46/606927246.db2.gz ROUUEFVQFYHEQE-IBGZPJMESA-N -1 3 395.850 3.853 20 0 GHADHM O[C@@H](CN(Cc1ccco1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823674582 606927247 /nfs/dbraw/zinc/92/72/47/606927247.db2.gz ROUUEFVQFYHEQE-IBGZPJMESA-N -1 3 395.850 3.853 20 0 GHADHM CC(C)COc1ccc([C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820103372 606933180 /nfs/dbraw/zinc/93/31/80/606933180.db2.gz WYCGXGXFNNAJDI-CQSZACIVSA-N -1 3 396.520 3.949 20 0 GHADHM CC(C)COc1ccc([C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820103372 606933182 /nfs/dbraw/zinc/93/31/82/606933182.db2.gz WYCGXGXFNNAJDI-CQSZACIVSA-N -1 3 396.520 3.949 20 0 GHADHM CN(C(=O)CSc1ccc2c(c1)CCC2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570818 606958898 /nfs/dbraw/zinc/95/88/98/606958898.db2.gz MMBGYIQSXHKPKT-UHFFFAOYSA-N -1 3 399.907 3.764 20 0 GHADHM CN(C(=O)CSc1ccc2c(c1)CCC2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570818 606958900 /nfs/dbraw/zinc/95/89/00/606958900.db2.gz MMBGYIQSXHKPKT-UHFFFAOYSA-N -1 3 399.907 3.764 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569181 606960089 /nfs/dbraw/zinc/96/00/89/606960089.db2.gz BDDVDVVAQNCBGR-NWDGAFQWSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569181 606960091 /nfs/dbraw/zinc/96/00/91/606960091.db2.gz BDDVDVVAQNCBGR-NWDGAFQWSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)/C=C/SCc1ccco1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569223 606962102 /nfs/dbraw/zinc/96/21/02/606962102.db2.gz CAVIIWIQHNEDAW-SOFGYWHQSA-N -1 3 375.841 3.523 20 0 GHADHM CN(C(=O)/C=C/SCc1ccco1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569223 606962103 /nfs/dbraw/zinc/96/21/03/606962103.db2.gz CAVIIWIQHNEDAW-SOFGYWHQSA-N -1 3 375.841 3.523 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821859922 606963275 /nfs/dbraw/zinc/96/32/75/606963275.db2.gz ULPWGDQJPUWFCM-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821859922 606963276 /nfs/dbraw/zinc/96/32/76/606963276.db2.gz ULPWGDQJPUWFCM-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821891271 606965503 /nfs/dbraw/zinc/96/55/03/606965503.db2.gz ZCGGKVZSLCZPGM-ZDUSSCGKSA-N -1 3 399.882 3.760 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821891271 606965504 /nfs/dbraw/zinc/96/55/04/606965504.db2.gz ZCGGKVZSLCZPGM-ZDUSSCGKSA-N -1 3 399.882 3.760 20 0 GHADHM CC(C)c1csc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)n1 ZINC000820197536 606967344 /nfs/dbraw/zinc/96/73/44/606967344.db2.gz LHHJWMNVARKBFL-UHFFFAOYSA-N -1 3 399.524 3.567 20 0 GHADHM CC(C)c1csc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)n1 ZINC000820197536 606967346 /nfs/dbraw/zinc/96/73/46/606967346.db2.gz LHHJWMNVARKBFL-UHFFFAOYSA-N -1 3 399.524 3.567 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820352621 606967390 /nfs/dbraw/zinc/96/73/90/606967390.db2.gz WWXVWTLKRLVZIJ-YWZLYKJASA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820352621 606967393 /nfs/dbraw/zinc/96/73/93/606967393.db2.gz WWXVWTLKRLVZIJ-YWZLYKJASA-N -1 3 390.491 3.893 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)N(C)c3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000821854466 606973624 /nfs/dbraw/zinc/97/36/24/606973624.db2.gz KOQUWBKHDUDMSD-AWEZNQCLSA-N -1 3 387.443 3.795 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)N(C)c3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000821854466 606973625 /nfs/dbraw/zinc/97/36/25/606973625.db2.gz KOQUWBKHDUDMSD-AWEZNQCLSA-N -1 3 387.443 3.795 20 0 GHADHM CN(C(=O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821569344 606982474 /nfs/dbraw/zinc/98/24/74/606982474.db2.gz GSOIUOGULJTKJG-UHFFFAOYSA-N -1 3 383.427 3.594 20 0 GHADHM CN(C(=O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821569344 606982476 /nfs/dbraw/zinc/98/24/76/606982476.db2.gz GSOIUOGULJTKJG-UHFFFAOYSA-N -1 3 383.427 3.594 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1SC(F)F ZINC000823427066 606999749 /nfs/dbraw/zinc/99/97/49/606999749.db2.gz USFGXBFFXDLJPO-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1SC(F)F ZINC000823427066 606999750 /nfs/dbraw/zinc/99/97/50/606999750.db2.gz USFGXBFFXDLJPO-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM CC(C)OCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820147017 607001766 /nfs/dbraw/zinc/00/17/66/607001766.db2.gz XOIIQGMKHKZIAH-UHFFFAOYSA-N -1 3 395.463 3.588 20 0 GHADHM CC(C)OCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820147017 607001767 /nfs/dbraw/zinc/00/17/67/607001767.db2.gz XOIIQGMKHKZIAH-UHFFFAOYSA-N -1 3 395.463 3.588 20 0 GHADHM Brc1ccc(OCc2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000819688639 607040558 /nfs/dbraw/zinc/04/05/58/607040558.db2.gz LHLXXCQIZQEKMG-UHFFFAOYSA-N -1 3 388.250 3.818 20 0 GHADHM Brc1ccc(OCc2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000819688639 607040559 /nfs/dbraw/zinc/04/05/59/607040559.db2.gz LHLXXCQIZQEKMG-UHFFFAOYSA-N -1 3 388.250 3.818 20 0 GHADHM CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821421827 607057715 /nfs/dbraw/zinc/05/77/15/607057715.db2.gz GKABEPOFXSGLCB-LLVKDONJSA-N -1 3 375.835 3.909 20 0 GHADHM CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821421827 607057717 /nfs/dbraw/zinc/05/77/17/607057717.db2.gz GKABEPOFXSGLCB-LLVKDONJSA-N -1 3 375.835 3.909 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000821798797 607061068 /nfs/dbraw/zinc/06/10/68/607061068.db2.gz OASDZJNGAPWMMJ-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000821798797 607061069 /nfs/dbraw/zinc/06/10/69/607061069.db2.gz OASDZJNGAPWMMJ-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM CCS[C@H](C)c1noc(CN(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449597 607068268 /nfs/dbraw/zinc/06/82/68/607068268.db2.gz VOKRSIGXFMYXDB-CHWSQXEVSA-N -1 3 387.513 3.647 20 0 GHADHM CCS[C@H](C)c1noc(CN(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449597 607068271 /nfs/dbraw/zinc/06/82/71/607068271.db2.gz VOKRSIGXFMYXDB-CHWSQXEVSA-N -1 3 387.513 3.647 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000821304756 607102193 /nfs/dbraw/zinc/10/21/93/607102193.db2.gz QBGAKUGHWZKWHR-UHFFFAOYSA-N -1 3 396.499 3.626 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CC12CCC2 ZINC000823368365 607120218 /nfs/dbraw/zinc/12/02/18/607120218.db2.gz VFAOIOFHYLJLDD-SFHVURJKSA-N -1 3 375.432 3.574 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1CC12CCC2 ZINC000823368365 607120220 /nfs/dbraw/zinc/12/02/20/607120220.db2.gz VFAOIOFHYLJLDD-SFHVURJKSA-N -1 3 375.432 3.574 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000823014999 607124717 /nfs/dbraw/zinc/12/47/17/607124717.db2.gz YTWFELKPNIBWRA-UHFFFAOYSA-N -1 3 397.653 3.878 20 0 GHADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000821154567 607137971 /nfs/dbraw/zinc/13/79/71/607137971.db2.gz PHFKRLWYPAYVKG-UHFFFAOYSA-N -1 3 391.406 3.591 20 0 GHADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000821154567 607137973 /nfs/dbraw/zinc/13/79/73/607137973.db2.gz PHFKRLWYPAYVKG-UHFFFAOYSA-N -1 3 391.406 3.591 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1F ZINC000822284216 607156041 /nfs/dbraw/zinc/15/60/41/607156041.db2.gz MIORTRULEBZQHW-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1F ZINC000822284216 607156042 /nfs/dbraw/zinc/15/60/42/607156042.db2.gz MIORTRULEBZQHW-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821883203 607172283 /nfs/dbraw/zinc/17/22/83/607172283.db2.gz SCYBWCPBCJPKEM-VLIAUNLRSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821883203 607172284 /nfs/dbraw/zinc/17/22/84/607172284.db2.gz SCYBWCPBCJPKEM-VLIAUNLRSA-N -1 3 375.432 3.909 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822487079 607173974 /nfs/dbraw/zinc/17/39/74/607173974.db2.gz ZZQHOSMHOOKUTI-HNNXBMFYSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822487079 607173975 /nfs/dbraw/zinc/17/39/75/607173975.db2.gz ZZQHOSMHOOKUTI-HNNXBMFYSA-N -1 3 391.401 3.577 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000821571845 607204489 /nfs/dbraw/zinc/20/44/89/607204489.db2.gz HZBKDBKAPLYZFB-OAHLLOKOSA-N -1 3 382.855 3.541 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000821571845 607204490 /nfs/dbraw/zinc/20/44/90/607204490.db2.gz HZBKDBKAPLYZFB-OAHLLOKOSA-N -1 3 382.855 3.541 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccnn3C3CCCC3)c2-c2nnn[n-]2)C1 ZINC000820733386 607235411 /nfs/dbraw/zinc/23/54/11/607235411.db2.gz FTLMKHUAQLAIBM-NSHDSACASA-N -1 3 397.508 3.617 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccnn3C3CCCC3)c2-c2nn[n-]n2)C1 ZINC000820733386 607235412 /nfs/dbraw/zinc/23/54/12/607235412.db2.gz FTLMKHUAQLAIBM-NSHDSACASA-N -1 3 397.508 3.617 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000821471249 607235527 /nfs/dbraw/zinc/23/55/27/607235527.db2.gz XKQMZTVGROABLP-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000821471249 607235528 /nfs/dbraw/zinc/23/55/28/607235528.db2.gz XKQMZTVGROABLP-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1CCC1CCCC1 ZINC000823453897 607241269 /nfs/dbraw/zinc/24/12/69/607241269.db2.gz DRJNDHMIIAJCOE-AWEZNQCLSA-N -1 3 375.423 3.720 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1CCC1CCCC1 ZINC000823453897 607241270 /nfs/dbraw/zinc/24/12/70/607241270.db2.gz DRJNDHMIIAJCOE-AWEZNQCLSA-N -1 3 375.423 3.720 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2ccc(Cl)cc2n1 ZINC000823318662 607243257 /nfs/dbraw/zinc/24/32/57/607243257.db2.gz GTFLGVQOUIIIGM-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc2ccc(Cl)cc2n1 ZINC000823318662 607243258 /nfs/dbraw/zinc/24/32/58/607243258.db2.gz GTFLGVQOUIIIGM-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1Oc1cccnc1 ZINC000823318272 607243340 /nfs/dbraw/zinc/24/33/40/607243340.db2.gz ATUPLUISPRLZCK-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1Oc1cccnc1 ZINC000823318272 607243341 /nfs/dbraw/zinc/24/33/41/607243341.db2.gz ATUPLUISPRLZCK-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000826451305 607774870 /nfs/dbraw/zinc/77/48/70/607774870.db2.gz AABHTVVXIDISFO-UHFFFAOYSA-N -1 3 391.460 3.634 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000826451305 607774871 /nfs/dbraw/zinc/77/48/71/607774871.db2.gz AABHTVVXIDISFO-UHFFFAOYSA-N -1 3 391.460 3.634 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000825608931 607776501 /nfs/dbraw/zinc/77/65/01/607776501.db2.gz FKBSZMUZCZLSQN-AWEZNQCLSA-N -1 3 396.447 3.763 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000825608931 607776502 /nfs/dbraw/zinc/77/65/02/607776502.db2.gz FKBSZMUZCZLSQN-AWEZNQCLSA-N -1 3 396.447 3.763 20 0 GHADHM COc1ccc(CNc2ncnc3oc(-c4ccccc4)cc32)cc1-c1nnn[n-]1 ZINC000826204533 607781774 /nfs/dbraw/zinc/78/17/74/607781774.db2.gz OROCGZWGZFBSQN-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM COc1ccc(CNc2ncnc3oc(-c4ccccc4)cc32)cc1-c1nn[n-]n1 ZINC000826204533 607781775 /nfs/dbraw/zinc/78/17/75/607781775.db2.gz OROCGZWGZFBSQN-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000824918447 607782289 /nfs/dbraw/zinc/78/22/89/607782289.db2.gz PZELOFJLAYYMHT-IFXJQAMLSA-N -1 3 388.475 3.794 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000824918447 607782290 /nfs/dbraw/zinc/78/22/90/607782290.db2.gz PZELOFJLAYYMHT-IFXJQAMLSA-N -1 3 388.475 3.794 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829510 607787570 /nfs/dbraw/zinc/78/75/70/607787570.db2.gz GCVPJPINIDHGQR-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829510 607787571 /nfs/dbraw/zinc/78/75/71/607787571.db2.gz GCVPJPINIDHGQR-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000825958411 607793687 /nfs/dbraw/zinc/79/36/87/607793687.db2.gz VPDRVAZGJNBABG-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000825958411 607793688 /nfs/dbraw/zinc/79/36/88/607793688.db2.gz VPDRVAZGJNBABG-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM O=C(NCCC1=CCCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826436205 607795252 /nfs/dbraw/zinc/79/52/52/607795252.db2.gz LTNOWDKGORXQEM-UHFFFAOYSA-N -1 3 389.459 3.676 20 0 GHADHM O=C(NCCC1=CCCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826436205 607795253 /nfs/dbraw/zinc/79/52/53/607795253.db2.gz LTNOWDKGORXQEM-UHFFFAOYSA-N -1 3 389.459 3.676 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824713084 607830364 /nfs/dbraw/zinc/83/03/64/607830364.db2.gz GMCURBBMEYNFES-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824713084 607830365 /nfs/dbraw/zinc/83/03/65/607830365.db2.gz GMCURBBMEYNFES-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM O=C(NCc1cc2ccccc2[nH]1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826440657 607834515 /nfs/dbraw/zinc/83/45/15/607834515.db2.gz VPUGOLZQGYBLOL-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM O=C(NCc1cc2ccccc2[nH]1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826440657 607834516 /nfs/dbraw/zinc/83/45/16/607834516.db2.gz VPUGOLZQGYBLOL-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826288090 607844870 /nfs/dbraw/zinc/84/48/70/607844870.db2.gz QMKQJOAQZNDIKN-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826288090 607844871 /nfs/dbraw/zinc/84/48/71/607844871.db2.gz QMKQJOAQZNDIKN-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cccc1-c1ccccn1 ZINC000826234564 607857129 /nfs/dbraw/zinc/85/71/29/607857129.db2.gz CRBGPQAGDQDOFD-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cccc1-c1ccccn1 ZINC000826234564 607857130 /nfs/dbraw/zinc/85/71/30/607857130.db2.gz CRBGPQAGDQDOFD-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(-c2ccccn2)ccc1Cl ZINC000826461001 607861738 /nfs/dbraw/zinc/86/17/38/607861738.db2.gz AZRZSRNCMIFOKZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(-c2ccccn2)ccc1Cl ZINC000826461001 607861739 /nfs/dbraw/zinc/86/17/39/607861739.db2.gz AZRZSRNCMIFOKZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O[C@@H](COc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504291 607869635 /nfs/dbraw/zinc/86/96/35/607869635.db2.gz SDKMOEMIQXBGQJ-ZDUSSCGKSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@@H](COc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504291 607869636 /nfs/dbraw/zinc/86/96/36/607869636.db2.gz SDKMOEMIQXBGQJ-ZDUSSCGKSA-N -1 3 385.638 3.939 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380847 607877856 /nfs/dbraw/zinc/87/78/56/607877856.db2.gz VSFSOYILHCJJAR-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380847 607877857 /nfs/dbraw/zinc/87/78/57/607877857.db2.gz VSFSOYILHCJJAR-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824456938 607881105 /nfs/dbraw/zinc/88/11/05/607881105.db2.gz BDNZQXDYSJBTRS-CQSZACIVSA-N -1 3 395.894 3.890 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824456938 607881106 /nfs/dbraw/zinc/88/11/06/607881106.db2.gz BDNZQXDYSJBTRS-CQSZACIVSA-N -1 3 395.894 3.890 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826323941 607893444 /nfs/dbraw/zinc/89/34/44/607893444.db2.gz YNXLPIIZAJLLRB-GFCCVEGCSA-N -1 3 385.497 3.980 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826323941 607893445 /nfs/dbraw/zinc/89/34/45/607893445.db2.gz YNXLPIIZAJLLRB-GFCCVEGCSA-N -1 3 385.497 3.980 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824458649 607927576 /nfs/dbraw/zinc/92/75/76/607927576.db2.gz VYCRBOWJENAYNM-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824458649 607927577 /nfs/dbraw/zinc/92/75/77/607927577.db2.gz VYCRBOWJENAYNM-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM O=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474384 607946604 /nfs/dbraw/zinc/94/66/04/607946604.db2.gz NLUMOACXVJBPFO-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM O=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474384 607946605 /nfs/dbraw/zinc/94/66/05/607946605.db2.gz NLUMOACXVJBPFO-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826284745 607947157 /nfs/dbraw/zinc/94/71/57/607947157.db2.gz DCBKKKGUTOMXEJ-ZDPBIUCKSA-N -1 3 390.443 3.652 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)cc1 ZINC000826284745 607947158 /nfs/dbraw/zinc/94/71/58/607947158.db2.gz DCBKKKGUTOMXEJ-ZDPBIUCKSA-N -1 3 390.443 3.652 20 0 GHADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1Oc1ccncc1 ZINC000826282038 607947375 /nfs/dbraw/zinc/94/73/75/607947375.db2.gz VLVWKTWTDXOGFU-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1Oc1ccncc1 ZINC000826282038 607947376 /nfs/dbraw/zinc/94/73/76/607947376.db2.gz VLVWKTWTDXOGFU-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469450 607955226 /nfs/dbraw/zinc/95/52/26/607955226.db2.gz HMIWTNZOFXXIMN-UHFFFAOYSA-N -1 3 396.863 3.780 20 0 GHADHM O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469450 607955227 /nfs/dbraw/zinc/95/52/27/607955227.db2.gz HMIWTNZOFXXIMN-UHFFFAOYSA-N -1 3 396.863 3.780 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262453 607979962 /nfs/dbraw/zinc/97/99/62/607979962.db2.gz PFJMSOJAKBNDJX-DJJJIMSYSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262453 607979963 /nfs/dbraw/zinc/97/99/63/607979963.db2.gz PFJMSOJAKBNDJX-DJJJIMSYSA-N -1 3 394.454 3.826 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826190854 607980350 /nfs/dbraw/zinc/98/03/50/607980350.db2.gz PJCBDQWBDXUJEC-MRXNPFEDSA-N -1 3 393.491 3.743 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826190854 607980351 /nfs/dbraw/zinc/98/03/51/607980351.db2.gz PJCBDQWBDXUJEC-MRXNPFEDSA-N -1 3 393.491 3.743 20 0 GHADHM C[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824477823 607986223 /nfs/dbraw/zinc/98/62/23/607986223.db2.gz CILIMCCIZASQSA-CYBMUJFWSA-N -1 3 394.866 3.742 20 0 GHADHM C[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824477823 607986224 /nfs/dbraw/zinc/98/62/24/607986224.db2.gz CILIMCCIZASQSA-CYBMUJFWSA-N -1 3 394.866 3.742 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000823826056 607988928 /nfs/dbraw/zinc/98/89/28/607988928.db2.gz BRXKYYJDBLTGQU-ZDUSSCGKSA-N -1 3 399.296 3.568 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1CCC(F)(F)CC1 ZINC000826459515 607996605 /nfs/dbraw/zinc/99/66/05/607996605.db2.gz MODMIPKQNQBOFZ-UHFFFAOYSA-N -1 3 390.419 3.754 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CCC(F)(F)CC1 ZINC000826459515 607996606 /nfs/dbraw/zinc/99/66/06/607996606.db2.gz MODMIPKQNQBOFZ-UHFFFAOYSA-N -1 3 390.419 3.754 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C1CC1 ZINC000825081088 608029575 /nfs/dbraw/zinc/02/95/75/608029575.db2.gz FUYYGVCTPZIGRJ-SNVBAGLBSA-N -1 3 385.859 3.817 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C1CC1 ZINC000825081088 608029576 /nfs/dbraw/zinc/02/95/76/608029576.db2.gz FUYYGVCTPZIGRJ-SNVBAGLBSA-N -1 3 385.859 3.817 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000130552270 608058698 /nfs/dbraw/zinc/05/86/98/608058698.db2.gz LETPOMIBOSTZSW-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000130552270 608058699 /nfs/dbraw/zinc/05/86/99/608058699.db2.gz LETPOMIBOSTZSW-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(OCCCSCc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826463730 608058701 /nfs/dbraw/zinc/05/87/01/608058701.db2.gz RTULUYFCLMPFMT-UHFFFAOYSA-N -1 3 390.415 3.625 20 0 GHADHM O=C(OCCCSCc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826463730 608058702 /nfs/dbraw/zinc/05/87/02/608058702.db2.gz RTULUYFCLMPFMT-UHFFFAOYSA-N -1 3 390.415 3.625 20 0 GHADHM O=C(CCCc1cc(F)ccc1F)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826406530 608059467 /nfs/dbraw/zinc/05/94/67/608059467.db2.gz BBRYALJEYLPOQY-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(CCCc1cc(F)ccc1F)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826406530 608059468 /nfs/dbraw/zinc/05/94/68/608059468.db2.gz BBRYALJEYLPOQY-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825080544 608106474 /nfs/dbraw/zinc/10/64/74/608106474.db2.gz AFQBVACBBXKANQ-ZDUSSCGKSA-N -1 3 394.483 3.576 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825080544 608106475 /nfs/dbraw/zinc/10/64/75/608106475.db2.gz AFQBVACBBXKANQ-ZDUSSCGKSA-N -1 3 394.483 3.576 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826401558 608128680 /nfs/dbraw/zinc/12/86/80/608128680.db2.gz BMXVWRFKNIURMN-QWGSZXSUSA-N -1 3 382.807 3.600 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826401558 608128681 /nfs/dbraw/zinc/12/86/81/608128681.db2.gz BMXVWRFKNIURMN-QWGSZXSUSA-N -1 3 382.807 3.600 20 0 GHADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000825013033 608149561 /nfs/dbraw/zinc/14/95/61/608149561.db2.gz NLAIGMAYCNBEDZ-IAQYHMDHSA-N -1 3 399.838 3.676 20 0 GHADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000825013033 608149562 /nfs/dbraw/zinc/14/95/62/608149562.db2.gz NLAIGMAYCNBEDZ-IAQYHMDHSA-N -1 3 399.838 3.676 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000824045066 608156769 /nfs/dbraw/zinc/15/67/69/608156769.db2.gz FMHRXCBWZYFJEC-QMMMGPOBSA-N -1 3 397.307 3.906 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000824045066 608156771 /nfs/dbraw/zinc/15/67/71/608156771.db2.gz FMHRXCBWZYFJEC-QMMMGPOBSA-N -1 3 397.307 3.906 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC12CCCCC2 ZINC000824255739 608164190 /nfs/dbraw/zinc/16/41/90/608164190.db2.gz VQYXHJYRMXDIAO-SFHVURJKSA-N -1 3 382.512 3.757 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC12CCCCC2 ZINC000824255739 608164192 /nfs/dbraw/zinc/16/41/92/608164192.db2.gz VQYXHJYRMXDIAO-SFHVURJKSA-N -1 3 382.512 3.757 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000825788326 608174117 /nfs/dbraw/zinc/17/41/17/608174117.db2.gz OSPUHRTVVFSADL-YVMONPNESA-N -1 3 399.867 3.603 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000825788326 608174118 /nfs/dbraw/zinc/17/41/18/608174118.db2.gz OSPUHRTVVFSADL-YVMONPNESA-N -1 3 399.867 3.603 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825653757 608184389 /nfs/dbraw/zinc/18/43/89/608184389.db2.gz JFNSZPCLMZUTNE-GFCCVEGCSA-N -1 3 388.374 3.662 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825653757 608184390 /nfs/dbraw/zinc/18/43/90/608184390.db2.gz JFNSZPCLMZUTNE-GFCCVEGCSA-N -1 3 388.374 3.662 20 0 GHADHM Cc1c(NC(=O)c2c[nH]c3cccc(Br)c23)cccc1-c1nnn[n-]1 ZINC000826242273 608194289 /nfs/dbraw/zinc/19/42/89/608194289.db2.gz HZKJAXKBHHGHGS-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1c(NC(=O)c2c[nH]c3cccc(Br)c23)cccc1-c1nn[n-]n1 ZINC000826242273 608194290 /nfs/dbraw/zinc/19/42/90/608194290.db2.gz HZKJAXKBHHGHGS-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM C[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC12CCC2 ZINC000824948686 608199914 /nfs/dbraw/zinc/19/99/14/608199914.db2.gz UWEPUBFAAGKVEK-JTQLQIEISA-N -1 3 380.279 3.826 20 0 GHADHM C[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC12CCC2 ZINC000824948686 608199915 /nfs/dbraw/zinc/19/99/15/608199915.db2.gz UWEPUBFAAGKVEK-JTQLQIEISA-N -1 3 380.279 3.826 20 0 GHADHM CCOc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825643764 608207221 /nfs/dbraw/zinc/20/72/21/608207221.db2.gz TZDOXQIOAAWSRN-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825643764 608207223 /nfs/dbraw/zinc/20/72/23/608207223.db2.gz TZDOXQIOAAWSRN-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000826297648 608209453 /nfs/dbraw/zinc/20/94/53/608209453.db2.gz NYIBXQWQHAVFAN-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000826297648 608209455 /nfs/dbraw/zinc/20/94/55/608209455.db2.gz NYIBXQWQHAVFAN-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM O[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc2ccccc2c1 ZINC000826504353 608226972 /nfs/dbraw/zinc/22/69/72/608226972.db2.gz ULNAYAISIYMSLH-HXUWFJFHSA-N -1 3 382.427 3.714 20 0 GHADHM O[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc2ccccc2c1 ZINC000826504353 608226975 /nfs/dbraw/zinc/22/69/75/608226975.db2.gz ULNAYAISIYMSLH-HXUWFJFHSA-N -1 3 382.427 3.714 20 0 GHADHM CN(c1ccccc1)C1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826010492 608232111 /nfs/dbraw/zinc/23/21/11/608232111.db2.gz KZKUOJDAJYGKGK-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM CN(c1ccccc1)C1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826010492 608232113 /nfs/dbraw/zinc/23/21/13/608232113.db2.gz KZKUOJDAJYGKGK-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM O=C(C=C1CCSCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826400023 608260561 /nfs/dbraw/zinc/26/05/61/608260561.db2.gz NAPZFUAVGVKZMX-UHFFFAOYSA-N -1 3 389.550 3.979 20 0 GHADHM O=C(C=C1CCSCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826400023 608260563 /nfs/dbraw/zinc/26/05/63/608260563.db2.gz NAPZFUAVGVKZMX-UHFFFAOYSA-N -1 3 389.550 3.979 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000826173877 608262937 /nfs/dbraw/zinc/26/29/37/608262937.db2.gz ZAVJFFGZSYXKIC-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000826173877 608262938 /nfs/dbraw/zinc/26/29/38/608262938.db2.gz ZAVJFFGZSYXKIC-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(C)ccc1OC ZINC000825153783 608272547 /nfs/dbraw/zinc/27/25/47/608272547.db2.gz JTKKRILFALWCFZ-OAHLLOKOSA-N -1 3 388.374 3.770 20 0 GHADHM CC[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(C)ccc1OC ZINC000825153783 608272548 /nfs/dbraw/zinc/27/25/48/608272548.db2.gz JTKKRILFALWCFZ-OAHLLOKOSA-N -1 3 388.374 3.770 20 0 GHADHM CCN(C(=O)C[C@H](O)c1ccc(Cl)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367967 608274166 /nfs/dbraw/zinc/27/41/66/608274166.db2.gz YPLVBDBIFJLTQE-ACJLOTCBSA-N -1 3 399.882 3.553 20 0 GHADHM CCN(C(=O)C[C@H](O)c1ccc(Cl)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367967 608274167 /nfs/dbraw/zinc/27/41/67/608274167.db2.gz YPLVBDBIFJLTQE-ACJLOTCBSA-N -1 3 399.882 3.553 20 0 GHADHM CCCCn1cc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(C)n1 ZINC000825301290 608294139 /nfs/dbraw/zinc/29/41/39/608294139.db2.gz LCJHATFHBPQZKJ-UHFFFAOYSA-N -1 3 379.390 3.803 20 0 GHADHM CCCCn1cc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(C)n1 ZINC000825301290 608294140 /nfs/dbraw/zinc/29/41/40/608294140.db2.gz LCJHATFHBPQZKJ-UHFFFAOYSA-N -1 3 379.390 3.803 20 0 GHADHM COc1c(C)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1C ZINC000826167332 608299331 /nfs/dbraw/zinc/29/93/31/608299331.db2.gz YUMRYIFOWHHOOA-UHFFFAOYSA-N -1 3 381.436 3.532 20 0 GHADHM COc1c(C)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1C ZINC000826167332 608299333 /nfs/dbraw/zinc/29/93/33/608299333.db2.gz YUMRYIFOWHHOOA-UHFFFAOYSA-N -1 3 381.436 3.532 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1-c1nnn[n-]1 ZINC000825687618 608304830 /nfs/dbraw/zinc/30/48/30/608304830.db2.gz KLVJRFIKXKUGAA-OAHLLOKOSA-N -1 3 397.504 3.945 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1-c1nn[n-]n1 ZINC000825687618 608304833 /nfs/dbraw/zinc/30/48/33/608304833.db2.gz KLVJRFIKXKUGAA-OAHLLOKOSA-N -1 3 397.504 3.945 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824285157 608310232 /nfs/dbraw/zinc/31/02/32/608310232.db2.gz ZEPNZGWAWGGXMQ-CQSZACIVSA-N -1 3 396.499 3.725 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824285157 608310234 /nfs/dbraw/zinc/31/02/34/608310234.db2.gz ZEPNZGWAWGGXMQ-CQSZACIVSA-N -1 3 396.499 3.725 20 0 GHADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824520711 608312080 /nfs/dbraw/zinc/31/20/80/608312080.db2.gz BVWDWDMJFNLGKF-VXGBXAGGSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824520711 608312081 /nfs/dbraw/zinc/31/20/81/608312081.db2.gz BVWDWDMJFNLGKF-VXGBXAGGSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C[C@H]1C ZINC000824956475 608313287 /nfs/dbraw/zinc/31/32/87/608313287.db2.gz RQDLCTVWHXIGOQ-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C[C@H]1C ZINC000824956475 608313289 /nfs/dbraw/zinc/31/32/89/608313289.db2.gz RQDLCTVWHXIGOQ-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C)n1 ZINC000826290969 608339803 /nfs/dbraw/zinc/33/98/03/608339803.db2.gz JAXXTOIPMVUPJY-UHFFFAOYSA-N -1 3 399.458 3.867 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(C)n1 ZINC000826290969 608339804 /nfs/dbraw/zinc/33/98/04/608339804.db2.gz JAXXTOIPMVUPJY-UHFFFAOYSA-N -1 3 399.458 3.867 20 0 GHADHM CCN(C(=O)Cc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376556 608342252 /nfs/dbraw/zinc/34/22/52/608342252.db2.gz JNYXLYXMUIJJMZ-UHFFFAOYSA-N -1 3 394.866 3.607 20 0 GHADHM CCN(C(=O)Cc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376556 608342253 /nfs/dbraw/zinc/34/22/53/608342253.db2.gz JNYXLYXMUIJJMZ-UHFFFAOYSA-N -1 3 394.866 3.607 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826169108 608374328 /nfs/dbraw/zinc/37/43/28/608374328.db2.gz INEBUWNPHAASDL-KRWDZBQOSA-N -1 3 390.447 3.744 20 0 GHADHM Clc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000826352420 608374805 /nfs/dbraw/zinc/37/48/05/608374805.db2.gz ZXQMZNYSPJKAKD-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nn[n-]n2)c1 ZINC000826352420 608374807 /nfs/dbraw/zinc/37/48/07/608374807.db2.gz ZXQMZNYSPJKAKD-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)c1 ZINC000826300191 608392445 /nfs/dbraw/zinc/39/24/45/608392445.db2.gz LLEFZBVSXNKUKC-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)c1 ZINC000826300191 608392446 /nfs/dbraw/zinc/39/24/46/608392446.db2.gz LLEFZBVSXNKUKC-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Fc1c(CSc2n[nH]c(C=Cc3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000826371392 608396999 /nfs/dbraw/zinc/39/69/99/608396999.db2.gz FEMJNJQDOJFABB-KTKRTIGZSA-N -1 3 379.424 3.587 20 0 GHADHM Fc1c(CSc2n[nH]c(C=Cc3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000826371392 608397000 /nfs/dbraw/zinc/39/70/00/608397000.db2.gz FEMJNJQDOJFABB-KTKRTIGZSA-N -1 3 379.424 3.587 20 0 GHADHM Cc1ccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3F)n2)cc1 ZINC000826280429 608404364 /nfs/dbraw/zinc/40/43/64/608404364.db2.gz BJPANKVHLSWQHA-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3F)n2)cc1 ZINC000826280429 608404366 /nfs/dbraw/zinc/40/43/66/608404366.db2.gz BJPANKVHLSWQHA-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CC(C)C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000824237777 608425601 /nfs/dbraw/zinc/42/56/01/608425601.db2.gz WCQFWRBGEIXJFL-GOSISDBHSA-N -1 3 389.463 3.794 20 0 GHADHM CC(C)C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000824237777 608425603 /nfs/dbraw/zinc/42/56/03/608425603.db2.gz WCQFWRBGEIXJFL-GOSISDBHSA-N -1 3 389.463 3.794 20 0 GHADHM CC[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(Cl)c1 ZINC000825149173 608434007 /nfs/dbraw/zinc/43/40/07/608434007.db2.gz WEGHOQJNGSDQSK-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(Cl)c1 ZINC000825149173 608434009 /nfs/dbraw/zinc/43/40/09/608434009.db2.gz WEGHOQJNGSDQSK-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM c1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)oc1-c1ccccc1 ZINC000823867732 608460870 /nfs/dbraw/zinc/46/08/70/608460870.db2.gz FJIWDNUBSAOAOI-UHFFFAOYSA-N -1 3 384.443 3.811 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826233389 608462380 /nfs/dbraw/zinc/46/23/80/608462380.db2.gz FRBNMVKLGGVRGO-UHFFFAOYSA-N -1 3 398.470 3.628 20 0 GHADHM c1csc(-c2nc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)co2)c1 ZINC000823867759 608465119 /nfs/dbraw/zinc/46/51/19/608465119.db2.gz HAUMENWOABQEGF-UHFFFAOYSA-N -1 3 390.472 3.873 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000825971491 608475211 /nfs/dbraw/zinc/47/52/11/608475211.db2.gz IXKSUPBDFORMER-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000825971491 608475212 /nfs/dbraw/zinc/47/52/12/608475212.db2.gz IXKSUPBDFORMER-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398516 608477458 /nfs/dbraw/zinc/47/74/58/608477458.db2.gz YMOFKDYRXXTJQB-UXHICEINSA-N -1 3 377.492 3.699 20 0 GHADHM O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398516 608477459 /nfs/dbraw/zinc/47/74/59/608477459.db2.gz YMOFKDYRXXTJQB-UXHICEINSA-N -1 3 377.492 3.699 20 0 GHADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(Cl)c1 ZINC000824040435 608479674 /nfs/dbraw/zinc/47/96/74/608479674.db2.gz PRXZYKZPJKDDCT-AWEZNQCLSA-N -1 3 393.878 3.940 20 0 GHADHM C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(Cl)c1 ZINC000824040435 608479676 /nfs/dbraw/zinc/47/96/76/608479676.db2.gz PRXZYKZPJKDDCT-AWEZNQCLSA-N -1 3 393.878 3.940 20 0 GHADHM Cc1ccc2cccc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2n1 ZINC000826295222 608480522 /nfs/dbraw/zinc/48/05/22/608480522.db2.gz XFMLKLNSGZFITB-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM Cc1ccc2cccc(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c2n1 ZINC000826295222 608480523 /nfs/dbraw/zinc/48/05/23/608480523.db2.gz XFMLKLNSGZFITB-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1(C)C ZINC000824176784 608482345 /nfs/dbraw/zinc/48/23/45/608482345.db2.gz AEVITSDHBYBZSZ-RTBURBONSA-N -1 3 377.492 3.721 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1(C)C ZINC000824176784 608482348 /nfs/dbraw/zinc/48/23/48/608482348.db2.gz AEVITSDHBYBZSZ-RTBURBONSA-N -1 3 377.492 3.721 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825705038 608485014 /nfs/dbraw/zinc/48/50/14/608485014.db2.gz UUSQRMPYQHIBEP-INIZCTEOSA-N -1 3 387.487 3.849 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825705038 608485015 /nfs/dbraw/zinc/48/50/15/608485015.db2.gz UUSQRMPYQHIBEP-INIZCTEOSA-N -1 3 387.487 3.849 20 0 GHADHM O=C(NOC1CCCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826449885 608494622 /nfs/dbraw/zinc/49/46/22/608494622.db2.gz NOZZSTMBQSDMOI-UHFFFAOYSA-N -1 3 398.398 3.794 20 0 GHADHM O=C(NOC1CCCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826449885 608494623 /nfs/dbraw/zinc/49/46/23/608494623.db2.gz NOZZSTMBQSDMOI-UHFFFAOYSA-N -1 3 398.398 3.794 20 0 GHADHM Fc1c(CN[C@H](COc2ccccc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370639 608515208 /nfs/dbraw/zinc/51/52/08/608515208.db2.gz BMMJRHGDFAVYDM-HXUWFJFHSA-N -1 3 389.434 3.916 20 0 GHADHM C[C@@H](N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547114 608517495 /nfs/dbraw/zinc/51/74/95/608517495.db2.gz MPUGTUWETJIMSS-FZKQIMNGSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547114 608517497 /nfs/dbraw/zinc/51/74/97/608517497.db2.gz MPUGTUWETJIMSS-FZKQIMNGSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCC1=O ZINC000824867733 608539198 /nfs/dbraw/zinc/53/91/98/608539198.db2.gz QWHZCBAQEBATHP-WCQYABFASA-N -1 3 381.461 3.539 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCC1=O ZINC000824867733 608539200 /nfs/dbraw/zinc/53/92/00/608539200.db2.gz QWHZCBAQEBATHP-WCQYABFASA-N -1 3 381.461 3.539 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCC1=O ZINC000824867728 608539433 /nfs/dbraw/zinc/53/94/33/608539433.db2.gz QWHZCBAQEBATHP-DGCLKSJQSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCC1=O ZINC000824867728 608539435 /nfs/dbraw/zinc/53/94/35/608539435.db2.gz QWHZCBAQEBATHP-DGCLKSJQSA-N -1 3 381.461 3.539 20 0 GHADHM CCCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1c(F)cccc1Cl ZINC000825313711 608547936 /nfs/dbraw/zinc/54/79/36/608547936.db2.gz PLIPKTRPENBNIA-UHFFFAOYSA-N -1 3 399.861 3.719 20 0 GHADHM CCCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1c(F)cccc1Cl ZINC000825313711 608547938 /nfs/dbraw/zinc/54/79/38/608547938.db2.gz PLIPKTRPENBNIA-UHFFFAOYSA-N -1 3 399.861 3.719 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824378027 608574489 /nfs/dbraw/zinc/57/44/89/608574489.db2.gz WNBWBWFKQLSZKU-ZDUSSCGKSA-N -1 3 381.867 3.961 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824378027 608574490 /nfs/dbraw/zinc/57/44/90/608574490.db2.gz WNBWBWFKQLSZKU-ZDUSSCGKSA-N -1 3 381.867 3.961 20 0 GHADHM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826442199 608575680 /nfs/dbraw/zinc/57/56/80/608575680.db2.gz MNSRYWYORSBISR-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826442199 608575681 /nfs/dbraw/zinc/57/56/81/608575681.db2.gz MNSRYWYORSBISR-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825115136 608583857 /nfs/dbraw/zinc/58/38/57/608583857.db2.gz UOVCNQVIOJYTER-UHFFFAOYSA-N -1 3 395.511 3.784 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825115136 608583860 /nfs/dbraw/zinc/58/38/60/608583860.db2.gz UOVCNQVIOJYTER-UHFFFAOYSA-N -1 3 395.511 3.784 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1F ZINC000826299663 608591535 /nfs/dbraw/zinc/59/15/35/608591535.db2.gz PAQBILAMOMDXSA-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1F ZINC000826299818 608591743 /nfs/dbraw/zinc/59/17/43/608591743.db2.gz WOWNXGWQRPXYFT-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1F ZINC000826299818 608591750 /nfs/dbraw/zinc/59/17/50/608591750.db2.gz WOWNXGWQRPXYFT-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000824907525 608596986 /nfs/dbraw/zinc/59/69/86/608596986.db2.gz IKEBAVXDBQSNPY-KGLIPLIRSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000824907524 608597002 /nfs/dbraw/zinc/59/70/02/608597002.db2.gz IKEBAVXDBQSNPY-KBPBESRZSA-N -1 3 393.451 3.706 20 0 GHADHM Cc1ncccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826330020 608612734 /nfs/dbraw/zinc/61/27/34/608612734.db2.gz BWYADZLTTIUSAO-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000824753076 608824378 /nfs/dbraw/zinc/82/43/78/608824378.db2.gz BREVFRBGBVFRCM-XHDPSFHLSA-N -1 3 398.385 3.688 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000824753076 608824381 /nfs/dbraw/zinc/82/43/81/608824381.db2.gz BREVFRBGBVFRCM-XHDPSFHLSA-N -1 3 398.385 3.688 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826427391 608826967 /nfs/dbraw/zinc/82/69/67/608826967.db2.gz NUZLGUSMCPLAQF-AWEZNQCLSA-N -1 3 393.394 3.828 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826427391 608826970 /nfs/dbraw/zinc/82/69/70/608826970.db2.gz NUZLGUSMCPLAQF-AWEZNQCLSA-N -1 3 393.394 3.828 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826334810 608868795 /nfs/dbraw/zinc/86/87/95/608868795.db2.gz KLOJOJWSWDAKHX-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826334810 608868796 /nfs/dbraw/zinc/86/87/96/608868796.db2.gz KLOJOJWSWDAKHX-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826334706 608871507 /nfs/dbraw/zinc/87/15/07/608871507.db2.gz GFAVPYMKQQABGX-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826334706 608871509 /nfs/dbraw/zinc/87/15/09/608871509.db2.gz GFAVPYMKQQABGX-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824908583 609149466 /nfs/dbraw/zinc/14/94/66/609149466.db2.gz PYUDIVKAANOIBN-CABZTGNLSA-N -1 3 391.344 3.631 20 0 GHADHM Fc1ccc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826374622 609152403 /nfs/dbraw/zinc/15/24/03/609152403.db2.gz GCNQMZRGWWLHMG-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826374622 609152405 /nfs/dbraw/zinc/15/24/05/609152405.db2.gz GCNQMZRGWWLHMG-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccnc(O[C@H](C)CC)c2)c1-c1nnn[n-]1 ZINC000825687679 609183640 /nfs/dbraw/zinc/18/36/40/609183640.db2.gz LMZMGEXVLLBIJT-SNVBAGLBSA-N -1 3 386.481 3.624 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccnc(O[C@H](C)CC)c2)c1-c1nn[n-]n1 ZINC000825687679 609183641 /nfs/dbraw/zinc/18/36/41/609183641.db2.gz LMZMGEXVLLBIJT-SNVBAGLBSA-N -1 3 386.481 3.624 20 0 GHADHM Clc1cnc(CSCCOc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826354311 609184306 /nfs/dbraw/zinc/18/43/06/609184306.db2.gz XOKZXXXSDNGKNY-UHFFFAOYSA-N -1 3 382.276 3.881 20 0 GHADHM Clc1cnc(CSCCOc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826354311 609184308 /nfs/dbraw/zinc/18/43/08/609184308.db2.gz XOKZXXXSDNGKNY-UHFFFAOYSA-N -1 3 382.276 3.881 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccc2nccn21 ZINC000826455320 609185663 /nfs/dbraw/zinc/18/56/63/609185663.db2.gz JLSMBFOCRULYKI-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccc2nccn21 ZINC000826455320 609185665 /nfs/dbraw/zinc/18/56/65/609185665.db2.gz JLSMBFOCRULYKI-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](CC)c1ccccc1 ZINC000825281655 609231372 /nfs/dbraw/zinc/23/13/72/609231372.db2.gz IPHBEZKYZPOKEC-VQTJNVASSA-N -1 3 393.491 3.680 20 0 GHADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](CC)c1ccccc1 ZINC000825281655 609231374 /nfs/dbraw/zinc/23/13/74/609231374.db2.gz IPHBEZKYZPOKEC-VQTJNVASSA-N -1 3 393.491 3.680 20 0 GHADHM COCc1c(Br)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826164433 609276787 /nfs/dbraw/zinc/27/67/87/609276787.db2.gz ZXDKRFXNSVOQGR-NSHDSACASA-N -1 3 388.269 3.949 20 0 GHADHM COCc1c(Br)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826164433 609276788 /nfs/dbraw/zinc/27/67/88/609276788.db2.gz ZXDKRFXNSVOQGR-NSHDSACASA-N -1 3 388.269 3.949 20 0 GHADHM CC1(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCCCC1 ZINC000824778493 609282018 /nfs/dbraw/zinc/28/20/18/609282018.db2.gz QCXBFWPOWGMCBH-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CC1(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCCCC1 ZINC000824778493 609282019 /nfs/dbraw/zinc/28/20/19/609282019.db2.gz QCXBFWPOWGMCBH-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM Cc1nnc(SCc2csc(Nc3ccccc3)n2)c(-c2nnn[n-]2)c1C ZINC000826337611 609306328 /nfs/dbraw/zinc/30/63/28/609306328.db2.gz UPKCRLWGEGNWLE-UHFFFAOYSA-N -1 3 396.505 3.766 20 0 GHADHM Cc1nnc(SCc2csc(Nc3ccccc3)n2)c(-c2nn[n-]n2)c1C ZINC000826337611 609306329 /nfs/dbraw/zinc/30/63/29/609306329.db2.gz UPKCRLWGEGNWLE-UHFFFAOYSA-N -1 3 396.505 3.766 20 0 GHADHM C[C@@H]1SCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000825021027 609320178 /nfs/dbraw/zinc/32/01/78/609320178.db2.gz OBESGXYLDIJVHI-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1SCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000825021027 609320180 /nfs/dbraw/zinc/32/01/80/609320180.db2.gz OBESGXYLDIJVHI-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825021028 609320537 /nfs/dbraw/zinc/32/05/37/609320537.db2.gz OBESGXYLDIJVHI-KGLIPLIRSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825021028 609320538 /nfs/dbraw/zinc/32/05/38/609320538.db2.gz OBESGXYLDIJVHI-KGLIPLIRSA-N -1 3 395.488 3.625 20 0 GHADHM CC(C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000824371714 609328659 /nfs/dbraw/zinc/32/86/59/609328659.db2.gz PCZXRNJELPHMPJ-UHFFFAOYSA-N -1 3 395.286 3.569 20 0 GHADHM CC(C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000824371714 609328661 /nfs/dbraw/zinc/32/86/61/609328661.db2.gz PCZXRNJELPHMPJ-UHFFFAOYSA-N -1 3 395.286 3.569 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826428491 609330041 /nfs/dbraw/zinc/33/00/41/609330041.db2.gz CWTVLCOEFBBRHC-LBPRGKRZSA-N -1 3 385.374 3.577 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826428491 609330043 /nfs/dbraw/zinc/33/00/43/609330043.db2.gz CWTVLCOEFBBRHC-LBPRGKRZSA-N -1 3 385.374 3.577 20 0 GHADHM O=C(NCCC1=CCCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826436129 609333161 /nfs/dbraw/zinc/33/31/61/609333161.db2.gz IUUCJCOPESYSEA-UHFFFAOYSA-N -1 3 375.432 3.889 20 0 GHADHM O=C(NCCC1=CCCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826436129 609333163 /nfs/dbraw/zinc/33/31/63/609333163.db2.gz IUUCJCOPESYSEA-UHFFFAOYSA-N -1 3 375.432 3.889 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CC[C@H](C2CC2)C1 ZINC000826474393 609333287 /nfs/dbraw/zinc/33/32/87/609333287.db2.gz NVWOEHXVMYVVOC-HNNXBMFYSA-N -1 3 375.432 3.531 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CC[C@H](C2CC2)C1 ZINC000826474393 609333288 /nfs/dbraw/zinc/33/32/88/609333288.db2.gz NVWOEHXVMYVVOC-HNNXBMFYSA-N -1 3 375.432 3.531 20 0 GHADHM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824604373 609342484 /nfs/dbraw/zinc/34/24/84/609342484.db2.gz BRADFYYIGNRMKW-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604373 609342487 /nfs/dbraw/zinc/34/24/87/609342487.db2.gz BRADFYYIGNRMKW-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663371 609346434 /nfs/dbraw/zinc/34/64/34/609346434.db2.gz YOTPOIFSDPUFNG-ZDUSSCGKSA-N -1 3 380.427 3.696 20 0 GHADHM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663371 609346436 /nfs/dbraw/zinc/34/64/36/609346436.db2.gz YOTPOIFSDPUFNG-ZDUSSCGKSA-N -1 3 380.427 3.696 20 0 GHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826429293 609350414 /nfs/dbraw/zinc/35/04/14/609350414.db2.gz ZGXIADCAPGEEGF-HNNXBMFYSA-N -1 3 399.376 3.650 20 0 GHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826429293 609350416 /nfs/dbraw/zinc/35/04/16/609350416.db2.gz ZGXIADCAPGEEGF-HNNXBMFYSA-N -1 3 399.376 3.650 20 0 GHADHM Cc1ccc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)nc1 ZINC000826288502 609352389 /nfs/dbraw/zinc/35/23/89/609352389.db2.gz JTFBZEMJLUSBRE-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)nc1 ZINC000826288502 609352391 /nfs/dbraw/zinc/35/23/91/609352391.db2.gz JTFBZEMJLUSBRE-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM CN(Cc1ccc(F)cc1F)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825966062 609356765 /nfs/dbraw/zinc/35/67/65/609356765.db2.gz MKGUQWIIDKAGBU-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CN(Cc1ccc(F)cc1F)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825966062 609356767 /nfs/dbraw/zinc/35/67/67/609356767.db2.gz MKGUQWIIDKAGBU-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000824255206 609377291 /nfs/dbraw/zinc/37/72/91/609377291.db2.gz CJMYSUARHYHXCH-QUCCMNQESA-N -1 3 399.539 3.693 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000824255206 609377293 /nfs/dbraw/zinc/37/72/93/609377293.db2.gz CJMYSUARHYHXCH-QUCCMNQESA-N -1 3 399.539 3.693 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000824883241 609387890 /nfs/dbraw/zinc/38/78/90/609387890.db2.gz FVTQXADMJWWDJG-CABCVRRESA-N -1 3 378.432 3.506 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000824883241 609387891 /nfs/dbraw/zinc/38/78/91/609387891.db2.gz FVTQXADMJWWDJG-CABCVRRESA-N -1 3 378.432 3.506 20 0 GHADHM COC1CCC(OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826145634 609388342 /nfs/dbraw/zinc/38/83/42/609388342.db2.gz KBFAWEUEVSSVAJ-UHFFFAOYSA-N -1 3 394.431 3.773 20 0 GHADHM COC1CCC(OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826145634 609388344 /nfs/dbraw/zinc/38/83/44/609388344.db2.gz KBFAWEUEVSSVAJ-UHFFFAOYSA-N -1 3 394.431 3.773 20 0 GHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826426652 609401615 /nfs/dbraw/zinc/40/16/15/609401615.db2.gz SKRHWMSOAYHFHO-MRXNPFEDSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826426652 609401617 /nfs/dbraw/zinc/40/16/17/609401617.db2.gz SKRHWMSOAYHFHO-MRXNPFEDSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826442162 609402351 /nfs/dbraw/zinc/40/23/51/609402351.db2.gz LDCCLFNBMRSIMT-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000826442162 609402354 /nfs/dbraw/zinc/40/23/54/609402354.db2.gz LDCCLFNBMRSIMT-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccn(-c2cccc(F)c2)n1 ZINC000824324789 609436481 /nfs/dbraw/zinc/43/64/81/609436481.db2.gz VLIYIWNNRQPCIQ-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2cccc(F)c2)n1 ZINC000824324789 609436483 /nfs/dbraw/zinc/43/64/83/609436483.db2.gz VLIYIWNNRQPCIQ-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM OCc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826510170 609442495 /nfs/dbraw/zinc/44/24/95/609442495.db2.gz AWXZMPOLIVHMCE-UHFFFAOYSA-N -1 3 391.294 3.555 20 0 GHADHM OCc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826510170 609442496 /nfs/dbraw/zinc/44/24/96/609442496.db2.gz AWXZMPOLIVHMCE-UHFFFAOYSA-N -1 3 391.294 3.555 20 0 GHADHM Fc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1F ZINC000826376501 609447040 /nfs/dbraw/zinc/44/70/40/609447040.db2.gz GNSWOZOVGOSPTG-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1F ZINC000826376501 609447041 /nfs/dbraw/zinc/44/70/41/609447041.db2.gz GNSWOZOVGOSPTG-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM CC(C)(C)c1nnc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000824141503 609449674 /nfs/dbraw/zinc/44/96/74/609449674.db2.gz IVEGCCIXWIDJPF-UHFFFAOYSA-N -1 3 384.387 3.858 20 0 GHADHM CC(C)(C)c1nnc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000824141503 609449676 /nfs/dbraw/zinc/44/96/76/609449676.db2.gz IVEGCCIXWIDJPF-UHFFFAOYSA-N -1 3 384.387 3.858 20 0 GHADHM CNC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826068845 609452873 /nfs/dbraw/zinc/45/28/73/609452873.db2.gz ZMOUTLGYRTYKGI-UHFFFAOYSA-N -1 3 393.394 3.537 20 0 GHADHM CNC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826068845 609452875 /nfs/dbraw/zinc/45/28/75/609452875.db2.gz ZMOUTLGYRTYKGI-UHFFFAOYSA-N -1 3 393.394 3.537 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826271923 609454447 /nfs/dbraw/zinc/45/44/47/609454447.db2.gz MXNLGHGJKCNULD-CQSZACIVSA-N -1 3 388.431 3.896 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826271923 609454450 /nfs/dbraw/zinc/45/44/50/609454450.db2.gz MXNLGHGJKCNULD-CQSZACIVSA-N -1 3 388.431 3.896 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(C)C)c(OC)c1 ZINC000825631601 609476952 /nfs/dbraw/zinc/47/69/52/609476952.db2.gz DJKZXLRTYMGWNT-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(C)C)c(OC)c1 ZINC000825631601 609476953 /nfs/dbraw/zinc/47/69/53/609476953.db2.gz DJKZXLRTYMGWNT-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM Fc1ccc(OCC(F)(F)F)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826375523 609477619 /nfs/dbraw/zinc/47/76/19/609477619.db2.gz QUNAQAKFMWXHOC-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(OCC(F)(F)F)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826375523 609477621 /nfs/dbraw/zinc/47/76/21/609477621.db2.gz QUNAQAKFMWXHOC-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1csc(COc2ccccc2)n1 ZINC000826278453 609482298 /nfs/dbraw/zinc/48/22/98/609482298.db2.gz CUMUUXVKBUXUNC-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1csc(COc2ccccc2)n1 ZINC000826278453 609482299 /nfs/dbraw/zinc/48/22/99/609482299.db2.gz CUMUUXVKBUXUNC-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC000824011073 609491759 /nfs/dbraw/zinc/49/17/59/609491759.db2.gz XHBBWWQZMAMBAW-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1cccc(-c2nn[n-]n2)c1 ZINC000824011073 609491760 /nfs/dbraw/zinc/49/17/60/609491760.db2.gz XHBBWWQZMAMBAW-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824010065 609491915 /nfs/dbraw/zinc/49/19/15/609491915.db2.gz HQSCFYFLFRPMMN-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824010065 609491916 /nfs/dbraw/zinc/49/19/16/609491916.db2.gz HQSCFYFLFRPMMN-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826315572 609493653 /nfs/dbraw/zinc/49/36/53/609493653.db2.gz MXOWKRHGXCQFFH-HJWRWDBZSA-N -1 3 394.504 3.943 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826315572 609493654 /nfs/dbraw/zinc/49/36/54/609493654.db2.gz MXOWKRHGXCQFFH-HJWRWDBZSA-N -1 3 394.504 3.943 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1OC1CCCC1 ZINC000826187239 609500352 /nfs/dbraw/zinc/50/03/52/609500352.db2.gz HCAVNDJVBASSPC-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1OC1CCCC1 ZINC000826187239 609500355 /nfs/dbraw/zinc/50/03/55/609500355.db2.gz HCAVNDJVBASSPC-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825255560 609506547 /nfs/dbraw/zinc/50/65/47/609506547.db2.gz XLBICXKURQHPJF-CABCVRRESA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825255560 609506549 /nfs/dbraw/zinc/50/65/49/609506549.db2.gz XLBICXKURQHPJF-CABCVRRESA-N -1 3 398.492 3.524 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC1CCCC1 ZINC000826187295 609508054 /nfs/dbraw/zinc/50/80/54/609508054.db2.gz KAWPLSOAVQYAIX-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC1CCCC1 ZINC000826187295 609508057 /nfs/dbraw/zinc/50/80/57/609508057.db2.gz KAWPLSOAVQYAIX-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM COc1ccc([C@H](Nc2nccc(C)c2-c2nnn[n-]2)c2ccc(F)cc2)cc1 ZINC000826188998 609539939 /nfs/dbraw/zinc/53/99/39/609539939.db2.gz LCBNBBVGFYRFBA-LJQANCHMSA-N -1 3 390.422 3.919 20 0 GHADHM COc1ccc([C@H](Nc2nccc(C)c2-c2nn[n-]n2)c2ccc(F)cc2)cc1 ZINC000826188998 609539941 /nfs/dbraw/zinc/53/99/41/609539941.db2.gz LCBNBBVGFYRFBA-LJQANCHMSA-N -1 3 390.422 3.919 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826237431 609542209 /nfs/dbraw/zinc/54/22/09/609542209.db2.gz ZJGSGMDRTCOIIF-CRAIPNDOSA-N -1 3 398.898 3.828 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826237431 609542211 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O=C(C[C@@H]1CCOc2ccccc21)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826404530 609613196 /nfs/dbraw/zinc/61/31/96/609613196.db2.gz CXXUJOYYAYCMBF-LBPRGKRZSA-N -1 3 384.823 3.520 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NC(=O)c1cccc2n[n-]nc21)c1ccco1 ZINC000187104987 837544220 /nfs/dbraw/zinc/54/42/20/837544220.db2.gz ZIVXLQOSCHQXOH-UHFFFAOYSA-N -1 3 381.779 3.709 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cnc(Cl)c(Cl)c1 ZINC000163389958 837580536 /nfs/dbraw/zinc/58/05/36/837580536.db2.gz GDSIPACKYGFIET-WFASDCNBSA-N -1 3 387.288 3.587 20 0 GHADHM CCC[C@H](OC)c1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000924080880 837593465 /nfs/dbraw/zinc/59/34/65/837593465.db2.gz CMLUOVHFSWPQOO-HOTGVXAUSA-N -1 3 381.498 3.541 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cn1)c1ccccc1 ZINC000613341012 837693753 /nfs/dbraw/zinc/69/37/53/837693753.db2.gz CXDGKWQEWHQTAZ-CYBMUJFWSA-N -1 3 375.388 3.852 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)o1 ZINC000462308716 837700833 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GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000145673225 834816593 /nfs/dbraw/zinc/81/65/93/834816593.db2.gz CQHPQWGSILSLLS-CQSZACIVSA-N -1 3 387.848 3.582 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccco1 ZINC000725830906 834821819 /nfs/dbraw/zinc/82/18/19/834821819.db2.gz IKGMVTBXIPODNE-LJQANCHMSA-N -1 3 375.490 3.900 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cnn([C@@H](C)C4CC4)c3)cc2)cc(=O)[n-]1 ZINC000547650034 834874428 /nfs/dbraw/zinc/87/44/28/834874428.db2.gz HNDOLGXXHGCWLD-LBPRGKRZSA-N -1 3 378.436 3.969 20 0 GHADHM Cc1c(Br)cc(F)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000828208985 834979297 /nfs/dbraw/zinc/97/92/97/834979297.db2.gz FDVFSCHQZLHFKI-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H](O)c1ccccc1 ZINC000728594948 835052558 /nfs/dbraw/zinc/05/25/58/835052558.db2.gz WPKQCEIZPNDEIK-GHTZIAJQSA-N -1 3 392.459 3.791 20 0 GHADHM O=C([N-]NC(=O)c1ccc(Cl)nc1)c1sccc1-c1ccc(F)cc1 ZINC000065868863 835139499 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377.441 3.564 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc21 ZINC000274809339 835564632 /nfs/dbraw/zinc/56/46/32/835564632.db2.gz UOVBAEFELVYBGK-MRXNPFEDSA-N -1 3 377.441 3.564 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151619325 835655849 /nfs/dbraw/zinc/65/58/49/835655849.db2.gz VTWJNPAYOBRATJ-JTQLQIEISA-N -1 3 384.657 3.892 20 0 GHADHM CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151623223 835663980 /nfs/dbraw/zinc/66/39/80/835663980.db2.gz ULDHZOKEYCOGIP-UHFFFAOYSA-N -1 3 382.229 3.768 20 0 GHADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1C ZINC000047268078 835680502 /nfs/dbraw/zinc/68/05/02/835680502.db2.gz ZGRPQGDFBSWDJH-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000472313038 835689561 /nfs/dbraw/zinc/68/95/61/835689561.db2.gz CWTCKBKDAFKUNO-UHFFFAOYSA-N -1 3 394.371 3.834 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000584152367 835699995 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GHADHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000047417099 836078174 /nfs/dbraw/zinc/07/81/74/836078174.db2.gz IWCCNDVHTJNQJU-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM COc1cc(Cl)c(Br)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000430298492 836122397 /nfs/dbraw/zinc/12/23/97/836122397.db2.gz MFAOMBUABSIJGE-UHFFFAOYSA-N -1 3 388.620 3.886 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(Cl)c(F)c1 ZINC000472426765 836166602 /nfs/dbraw/zinc/16/66/02/836166602.db2.gz ATTMPOHBRXCOIW-SFHVURJKSA-N -1 3 387.794 3.982 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)NC2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000065919738 836222943 /nfs/dbraw/zinc/22/29/43/836222943.db2.gz ROPWIYOKCHESTR-UHFFFAOYSA-N -1 3 389.887 3.536 20 0 GHADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 ZINC000612455464 836250350 /nfs/dbraw/zinc/25/03/50/836250350.db2.gz QYNALAAFQKMCNF-UHFFFAOYSA-N -1 3 396.398 3.823 20 0 GHADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000376294809 836414620 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O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1(CCF)CC1 ZINC000584505176 836916711 /nfs/dbraw/zinc/91/67/11/836916711.db2.gz KYHFAJYIIWHSSA-UHFFFAOYSA-N -1 3 386.652 3.993 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)[C@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc12 ZINC000177723876 837076293 /nfs/dbraw/zinc/07/62/93/837076293.db2.gz HYVNUBHLUNMBOR-ASHKIFAZSA-N -1 3 385.485 3.737 20 0 GHADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)c2)n1 ZINC000175970035 837093053 /nfs/dbraw/zinc/09/30/53/837093053.db2.gz YUDGPFQTQYLMRH-ZDUSSCGKSA-N -1 3 399.472 3.732 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000186261658 837111186 /nfs/dbraw/zinc/11/11/86/837111186.db2.gz BAWMZYWDOWQRJA-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2ccccc2o1 ZINC000048017348 844250278 /nfs/dbraw/zinc/25/02/78/844250278.db2.gz VDQHFVXSNRRBDM-YOEHRIQHSA-N -1 3 378.428 3.620 20 0 GHADHM COc1cc(C(=O)OCc2ccc(F)cc2Br)cc(OC)c1[O-] ZINC000754270183 838013243 /nfs/dbraw/zinc/01/32/43/838013243.db2.gz CBTNOOPXBWTVOA-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000426778282 844282969 /nfs/dbraw/zinc/28/29/69/844282969.db2.gz WIGHTCSJDKNLEF-JOCHJYFZSA-N -1 3 393.439 3.895 20 0 GHADHM CCN(CC)[C@H](CNC(=O)[C@H](C(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000579958074 838057277 /nfs/dbraw/zinc/05/72/77/838057277.db2.gz PUEFHQXUDRWAPQ-HZPDHXFCSA-N -1 3 388.430 3.561 20 0 GHADHM CC(C)(C)c1nnc(S(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000683688313 838297309 /nfs/dbraw/zinc/29/73/09/838297309.db2.gz JKMLLFOIALVYAV-UHFFFAOYSA-N -1 3 396.925 3.853 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(C)c1 ZINC000782917328 838378293 /nfs/dbraw/zinc/37/82/93/838378293.db2.gz KNCNOMVFENSDAA-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM [O-]C(=Cc1nc(-c2ncccc2Br)no1)c1ccccc1Cl ZINC001211647514 838562096 /nfs/dbraw/zinc/56/20/96/838562096.db2.gz SUYYTDAACMSCEO-UHFFFAOYSA-N -1 3 378.613 3.973 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C(C)=C/c2ccc(C)cc2)cc1OC ZINC000180818167 838661522 /nfs/dbraw/zinc/66/15/22/838661522.db2.gz ANMGLUGBYIZQHE-NTCAYCPXSA-N -1 3 388.489 3.807 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3(C)C)c2)n1 ZINC000275756087 838707474 /nfs/dbraw/zinc/70/74/74/838707474.db2.gz YZWNCBMKBPNBJU-GUYCJALGSA-N -1 3 381.476 3.992 20 0 GHADHM Cc1ccncc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182384817 838713879 /nfs/dbraw/zinc/71/38/79/838713879.db2.gz RUTWOUZSWGCEHK-LJQANCHMSA-N -1 3 375.428 3.596 20 0 GHADHM Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000182882764 838836447 /nfs/dbraw/zinc/83/64/47/838836447.db2.gz LVIWKYATXBGILL-QFIPXVFZSA-N -1 3 388.467 3.878 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(OC)(C(F)(F)F)CC2)c([O-])c1 ZINC000416268010 838841892 /nfs/dbraw/zinc/84/18/92/838841892.db2.gz DPKNOIROMLUXBZ-UHFFFAOYSA-N -1 3 375.387 3.755 20 0 GHADHM Cc1cccnc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182898676 838851083 /nfs/dbraw/zinc/85/10/83/838851083.db2.gz SWAXWVJPELJSHD-IBGZPJMESA-N -1 3 375.428 3.596 20 0 GHADHM Cc1csc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000182945820 838868618 /nfs/dbraw/zinc/86/86/18/838868618.db2.gz WNQIVABLDWOZBX-KRWDZBQOSA-N -1 3 381.457 3.657 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000580104205 838876354 /nfs/dbraw/zinc/87/63/54/838876354.db2.gz GZQQLJDQFUUDRW-UHFFFAOYSA-N -1 3 387.288 3.846 20 0 GHADHM CCCN(CC(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183539326 839007457 /nfs/dbraw/zinc/00/74/57/839007457.db2.gz YIMRIOWJQIMVAB-GOSISDBHSA-N -1 3 390.430 3.757 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(NC(=O)OC)c3)c2)n1 ZINC000377173540 839058718 /nfs/dbraw/zinc/05/87/18/839058718.db2.gz MWPAETNYHUJSNC-UHFFFAOYSA-N -1 3 392.415 3.842 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)C3CCCC3)cs2)c1 ZINC000183808581 839073459 /nfs/dbraw/zinc/07/34/59/839073459.db2.gz GRGLJQPAOOHQAI-ZDUSSCGKSA-N -1 3 387.505 3.647 20 0 GHADHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613705509 839089874 /nfs/dbraw/zinc/08/98/74/839089874.db2.gz NXOVHCAZJFFTQB-LLVKDONJSA-N -1 3 380.238 3.707 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000064925417 839222194 /nfs/dbraw/zinc/22/21/94/839222194.db2.gz OEZKCRXKAIHTGQ-UDWIEESQSA-N -1 3 380.897 3.742 20 0 GHADHM O=C1CCc2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CCC5)[nH]c4c3)cc21 ZINC000656182314 839323400 /nfs/dbraw/zinc/32/34/00/839323400.db2.gz ARLPMPKXAZKOJT-UHFFFAOYSA-N -1 3 381.457 3.760 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(Cl)s1 ZINC000431897014 839564206 /nfs/dbraw/zinc/56/42/06/839564206.db2.gz WNHNUIYJHSQVQV-LLVKDONJSA-N -1 3 377.318 3.612 20 0 GHADHM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000055597064 839814820 /nfs/dbraw/zinc/81/48/20/839814820.db2.gz ZOXXZYKVTKDXBR-UHFFFAOYSA-N -1 3 390.505 3.593 20 0 GHADHM O=C(NCCC1CCCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052616586 844476586 /nfs/dbraw/zinc/47/65/86/844476586.db2.gz NHKZKFSAWDKEQL-UHFFFAOYSA-N -1 3 393.484 3.655 20 0 GHADHM COc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc(OC)c1Cl ZINC000458231755 844505123 /nfs/dbraw/zinc/50/51/23/844505123.db2.gz ZYMOQHUKEKJQPU-UHFFFAOYSA-N -1 3 379.844 3.711 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1Br ZINC000160625837 840132616 /nfs/dbraw/zinc/13/26/16/840132616.db2.gz QSALTTSRSLLALE-UHFFFAOYSA-N -1 3 391.674 3.697 20 0 GHADHM O=C(c1cccc(F)c1Sc1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000511592841 840313403 /nfs/dbraw/zinc/31/34/03/840313403.db2.gz MSHAPWBZBUOLHV-UHFFFAOYSA-N -1 3 381.432 3.671 20 0 GHADHM COc1cccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1[O-] ZINC000636514880 840337121 /nfs/dbraw/zinc/33/71/21/840337121.db2.gz LMORPRMYZOUVTE-UHFFFAOYSA-N -1 3 376.384 3.979 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1csc(-c2ccccc2)n1 ZINC000500428556 840484168 /nfs/dbraw/zinc/48/41/68/840484168.db2.gz KSAOVJJDZYXTPG-UHFFFAOYSA-N -1 3 380.441 3.609 20 0 GHADHM CCCCc1noc([C@@H](C)[S@@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417151073 840508577 /nfs/dbraw/zinc/50/85/77/840508577.db2.gz QSLRAXDEDSKGLX-QWVSSGJLSA-N -1 3 386.477 3.585 20 0 GHADHM CSc1cc(C)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000417213419 840587945 /nfs/dbraw/zinc/58/79/45/840587945.db2.gz CCYVHANCSYJVFB-UHFFFAOYSA-N -1 3 399.516 3.849 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1cccnc1C(F)(F)F ZINC000581002491 840588512 /nfs/dbraw/zinc/58/85/12/840588512.db2.gz DIRIVPCDZALAKH-UHFFFAOYSA-N -1 3 398.328 3.640 20 0 GHADHM Cc1cc(O)ccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183899019 840702656 /nfs/dbraw/zinc/70/26/56/840702656.db2.gz CZGCARBYBWVSLC-NRFANRHFSA-N -1 3 390.439 3.906 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000299736609 840721002 /nfs/dbraw/zinc/72/10/02/840721002.db2.gz ZRYWFEYDJSSOCG-BSYHEUMXSA-N -1 3 377.425 3.666 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047271535 840731644 /nfs/dbraw/zinc/73/16/44/840731644.db2.gz JHZSOZFWQIWYLE-CYBMUJFWSA-N -1 3 399.447 3.546 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047297485 840742207 /nfs/dbraw/zinc/74/22/07/840742207.db2.gz HROZDSYEHVXBTH-AWEZNQCLSA-N -1 3 395.500 3.899 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000128400988 840841384 /nfs/dbraw/zinc/84/13/84/840841384.db2.gz JSLOGUVDVQQRPE-UHFFFAOYSA-N -1 3 384.264 3.522 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])C1(c2ccccc2)CC1 ZINC000610485761 840855379 /nfs/dbraw/zinc/85/53/79/840855379.db2.gz DSAVJWOKQZHWNR-UHFFFAOYSA-N -1 3 379.197 3.667 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000582107178 840862394 /nfs/dbraw/zinc/86/23/94/840862394.db2.gz QQFMTXCMKIDZAJ-JTHBVZDNSA-N -1 3 379.500 3.996 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1cccc(Cl)c1F ZINC000106300190 840883286 /nfs/dbraw/zinc/88/32/86/840883286.db2.gz RBNJIEAKTQNJSD-CQSZACIVSA-N -1 3 386.876 3.578 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc2ncccc2c1 ZINC000610490525 840965477 /nfs/dbraw/zinc/96/54/77/840965477.db2.gz CAYXFWAORDZMJT-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc2c1OCO2 ZINC000417577690 841021159 /nfs/dbraw/zinc/02/11/59/841021159.db2.gz JRRMSUDPWHSCAW-AWEZNQCLSA-N -1 3 397.349 3.748 20 0 GHADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000511861327 841038829 /nfs/dbraw/zinc/03/88/29/841038829.db2.gz VTVGVZSDJZOPNM-UHFFFAOYSA-N -1 3 394.301 3.710 20 0 GHADHM CCCCNC(=O)[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000050901464 841048579 /nfs/dbraw/zinc/04/85/79/841048579.db2.gz DNFLEKXMQUTRPT-QGZVFWFLSA-N -1 3 393.601 3.649 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417613744 841065907 /nfs/dbraw/zinc/06/59/07/841065907.db2.gz AMGCKKNSSUUZBA-LLVKDONJSA-N -1 3 380.243 3.797 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)ccc2[nH]1 ZINC000432197197 841073614 /nfs/dbraw/zinc/07/36/14/841073614.db2.gz WNUNMLVIWSBMOV-UHFFFAOYSA-N -1 3 393.424 3.516 20 0 GHADHM COc1ccc(-c2ccccc2)cc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417652481 841103858 /nfs/dbraw/zinc/10/38/58/841103858.db2.gz APIHKVSKWYZPHS-SFHVURJKSA-N -1 3 385.460 3.637 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Br)c(Cl)c1 ZINC000313196226 841200534 /nfs/dbraw/zinc/20/05/34/841200534.db2.gz XVGOIURTENFJCO-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)Cc1cccc(Cl)c1F ZINC000190845527 841420384 /nfs/dbraw/zinc/42/03/84/841420384.db2.gz MDUVHPQUTHMCKN-LLVKDONJSA-N -1 3 390.842 3.763 20 0 GHADHM CC[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000184088747 841530669 /nfs/dbraw/zinc/53/06/69/841530669.db2.gz JXTYFIKTONRQPJ-WOJBJXKFSA-N -1 3 398.528 3.607 20 0 GHADHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(C(F)(F)F)c1 ZINC000656619588 841578017 /nfs/dbraw/zinc/57/80/17/841578017.db2.gz VXPQBPXIHQSGNN-UHFFFAOYSA-N -1 3 377.359 3.838 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000651821876 841659008 /nfs/dbraw/zinc/65/90/08/841659008.db2.gz ZVOZEWYNELXVJM-HNNXBMFYSA-N -1 3 397.846 3.842 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3SC)[n-]c(=O)c12 ZINC000511889661 841702780 /nfs/dbraw/zinc/70/27/80/841702780.db2.gz JRTWLGORVVSYGT-UHFFFAOYSA-N -1 3 387.486 3.840 20 0 GHADHM O=C(NCc1ccsc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000042971543 841747583 /nfs/dbraw/zinc/74/75/83/841747583.db2.gz SSHVWEOTMIEPGJ-UHFFFAOYSA-N -1 3 390.461 3.618 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430617657 841784092 /nfs/dbraw/zinc/78/40/92/841784092.db2.gz OBAQFCQMPWWBNX-PSASIEDQSA-N -1 3 383.673 3.862 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000600199954 861242756 /nfs/dbraw/zinc/24/27/56/861242756.db2.gz CFZLFPIZLZDEOX-UHFFFAOYSA-N -1 3 384.852 3.507 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000600199954 861242769 /nfs/dbraw/zinc/24/27/69/861242769.db2.gz CFZLFPIZLZDEOX-UHFFFAOYSA-N -1 3 384.852 3.507 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000656734375 841856195 /nfs/dbraw/zinc/85/61/95/841856195.db2.gz LJYGGQNGYNUIEV-MFKMUULPSA-N -1 3 394.440 3.902 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@H]12 ZINC000656765500 841901183 /nfs/dbraw/zinc/90/11/83/841901183.db2.gz NOVUYVXWBLGKNM-BZUAXINKSA-N -1 3 375.856 3.855 20 0 GHADHM O=c1cc(-c2noc(Cn3c4ccccc4nc3C3CCCCC3)n2)nc[n-]1 ZINC000581667070 841960208 /nfs/dbraw/zinc/96/02/08/841960208.db2.gz ODSYIAPHSYXHEM-UHFFFAOYSA-N -1 3 376.420 3.678 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@@H]1c1cccc(Cl)c1 ZINC000604601048 842085129 /nfs/dbraw/zinc/08/51/29/842085129.db2.gz CUUDVBDXACRNOE-DYVFJYSZSA-N -1 3 379.243 3.857 20 0 GHADHM CC(C)N(CC(F)F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184230867 842173108 /nfs/dbraw/zinc/17/31/08/842173108.db2.gz CBVYIEIOMFVWMD-SFHVURJKSA-N -1 3 390.430 3.756 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000471710886 842220628 /nfs/dbraw/zinc/22/06/28/842220628.db2.gz DYGIEGVJRDRNMO-UHFFFAOYSA-N -1 3 385.363 3.960 20 0 GHADHM COc1ccc(OC)c(CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)C2CC2)c1 ZINC000027603945 842230462 /nfs/dbraw/zinc/23/04/62/842230462.db2.gz PNYNLDKWLSJUPH-UHFFFAOYSA-N -1 3 395.455 3.989 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)c2[O-] ZINC000512058992 842366977 /nfs/dbraw/zinc/36/69/77/842366977.db2.gz PRISNGPBTUNULJ-UHFFFAOYSA-N -1 3 380.354 3.871 20 0 GHADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000432410981 842408836 /nfs/dbraw/zinc/40/88/36/842408836.db2.gz UDVVJSLJVHGLAQ-JTQLQIEISA-N -1 3 376.463 3.709 20 0 GHADHM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1cncc(Cl)c1 ZINC000432274222 842468246 /nfs/dbraw/zinc/46/82/46/842468246.db2.gz IJHZTBLYDIWDHA-AWEZNQCLSA-N -1 3 378.803 3.750 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)n1 ZINC000279048691 842515847 /nfs/dbraw/zinc/51/58/47/842515847.db2.gz HAZANXTZTPSFCJ-ZDUSSCGKSA-N -1 3 381.398 3.554 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000467801792 842581694 /nfs/dbraw/zinc/58/16/94/842581694.db2.gz WQYGWCUCRSQBPP-WMZOPIPTSA-N -1 3 383.872 3.986 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432470077 842610444 /nfs/dbraw/zinc/61/04/44/842610444.db2.gz GUFYSNKDPNHCPR-LJQANCHMSA-N -1 3 390.505 3.661 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1ccc(Cl)cc1F ZINC000008457488 842691670 /nfs/dbraw/zinc/69/16/70/842691670.db2.gz GEDZGIXFEKYZDI-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM CCc1nc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)cn1CC1CC1 ZINC000663257931 842926984 /nfs/dbraw/zinc/92/69/84/842926984.db2.gz RUOIZFUIBSHDKM-UHFFFAOYSA-N -1 3 375.828 3.588 20 0 GHADHM CCCn1nccc1CN[C@@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000663261706 842938584 /nfs/dbraw/zinc/93/85/84/842938584.db2.gz FRIHFTKSHFMKDF-BLLLJJGKSA-N -1 3 380.286 3.607 20 0 GHADHM CC[C@H](C(=O)[O-])N(C)Cc1cccc(OCC(F)(F)F)c1Br ZINC000662215999 842940692 /nfs/dbraw/zinc/94/06/92/842940692.db2.gz YWSLBVNDWJTSBX-SNVBAGLBSA-N -1 3 384.192 3.685 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000663260992 842942334 /nfs/dbraw/zinc/94/23/34/842942334.db2.gz GGDNEEICQXEYLH-MRXNPFEDSA-N -1 3 399.365 3.647 20 0 GHADHM COc1cc(C)c(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1OC ZINC000663263318 842948840 /nfs/dbraw/zinc/94/88/40/842948840.db2.gz YDZFHPGOTHLWDH-KRWDZBQOSA-N -1 3 383.366 3.947 20 0 GHADHM COC(=O)c1cccc(OCc2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000184876263 842972103 /nfs/dbraw/zinc/97/21/03/842972103.db2.gz XTZFQEDZEANSBE-UHFFFAOYSA-N -1 3 376.368 3.961 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc(OC)c1[O-] ZINC000161582254 843108705 /nfs/dbraw/zinc/10/87/05/843108705.db2.gz OFNQPBFGMYBUQF-CYBMUJFWSA-N -1 3 382.416 3.570 20 0 GHADHM O=c1[n-]nc(SCc2ncc(Br)s2)n1CCc1ccccc1 ZINC000432554556 843124798 /nfs/dbraw/zinc/12/47/98/843124798.db2.gz CYMSVFFMEHRBSN-UHFFFAOYSA-N -1 3 397.323 3.738 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000512233254 843173112 /nfs/dbraw/zinc/17/31/12/843173112.db2.gz HEDBPPAIZDVQSL-GJZGRUSLSA-N -1 3 397.541 3.795 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512315144 843364485 /nfs/dbraw/zinc/36/44/85/843364485.db2.gz VQBWSIVOHKJHIJ-SNVBAGLBSA-N -1 3 377.231 3.606 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000510825981 843581703 /nfs/dbraw/zinc/58/17/03/843581703.db2.gz KQGJXVHJAHVSAA-OAHLLOKOSA-N -1 3 392.304 3.956 20 0 GHADHM CC1(C)CC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000512390207 843618998 /nfs/dbraw/zinc/61/89/98/843618998.db2.gz APVNBAPHJNNACX-INIZCTEOSA-N -1 3 379.888 3.594 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1c(F)cccc1F ZINC000500610117 843731434 /nfs/dbraw/zinc/73/14/34/843731434.db2.gz ZNVJMOFQWHPZFR-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1Cl ZINC000432771963 843763768 /nfs/dbraw/zinc/76/37/68/843763768.db2.gz ODQBDTXNNKDOEI-UHFFFAOYSA-N -1 3 399.896 3.608 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000429884499 843838333 /nfs/dbraw/zinc/83/83/33/843838333.db2.gz XUCXORWLNRDKAU-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429881123 843845314 /nfs/dbraw/zinc/84/53/14/843845314.db2.gz BSTWNWKNPRVNPP-GHMZBOCLSA-N -1 3 396.734 3.586 20 0 GHADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000429892233 843857286 /nfs/dbraw/zinc/85/72/86/843857286.db2.gz OJPACHOJJCRXSF-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM COc1cccc([C@H](C)C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000512843739 843866803 /nfs/dbraw/zinc/86/68/03/843866803.db2.gz DXWXMCPPASRVLA-LBPRGKRZSA-N -1 3 385.851 3.911 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000512463474 843884350 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COc1cc(C[NH2+][C@H]2CCCCCC[C@@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000277131163 844714748 /nfs/dbraw/zinc/71/47/48/844714748.db2.gz BPCCMHROIWFMAC-JSGCOSHPSA-N -1 3 386.286 3.677 20 0 GHADHM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000588482218 844931858 /nfs/dbraw/zinc/93/18/58/844931858.db2.gz CRHYJNTYEFKSJH-HGPCXVNDSA-N -1 3 379.865 3.920 20 0 GHADHM CC(C)N1C(=S)N=NC1CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000731228952 861514277 /nfs/dbraw/zinc/51/42/77/861514277.db2.gz FBDZDXWCJSCLEW-UHFFFAOYSA-N -1 3 396.516 3.569 20 0 GHADHM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ncccc2[O-])cc1 ZINC000215656567 845012217 /nfs/dbraw/zinc/01/22/17/845012217.db2.gz NCDNDXWWBIALDL-UHFFFAOYSA-N -1 3 386.411 3.901 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cncs2)cc1 ZINC000513193883 845019728 /nfs/dbraw/zinc/01/97/28/845019728.db2.gz JBDBDMARAVCGOX-UHFFFAOYSA-N -1 3 387.486 3.813 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509913701 845102780 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GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCCCO2 ZINC000472097471 845818618 /nfs/dbraw/zinc/81/86/18/845818618.db2.gz VKEHNVSMVIUWDD-UHFFFAOYSA-N -1 3 391.420 3.520 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1OC ZINC000072005635 846202293 /nfs/dbraw/zinc/20/22/93/846202293.db2.gz AHMJNGSDXKUGHV-PBHICJAKSA-N -1 3 380.510 3.634 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513667934 846215602 /nfs/dbraw/zinc/21/56/02/846215602.db2.gz XMCMNMQDDFEZPI-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000152192147 846355499 /nfs/dbraw/zinc/35/54/99/846355499.db2.gz CALBZKMKOGZHSZ-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cnccc1C(F)(F)F ZINC000684763740 846432176 /nfs/dbraw/zinc/43/21/76/846432176.db2.gz BLKOUZSDJVTJMQ-MJHDQNEOSA-N -1 3 392.349 3.603 20 0 GHADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccc(F)c1 ZINC000421684315 846465224 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CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000413458451 846630785 /nfs/dbraw/zinc/63/07/85/846630785.db2.gz MGXIROLAMPFLIS-ZIAGYGMSSA-N -1 3 381.402 3.691 20 0 GHADHM COC[C@@H](C)n1c(C)cc(C(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000419607332 846673722 /nfs/dbraw/zinc/67/37/22/846673722.db2.gz ULSOEWALPXYDQB-CYBMUJFWSA-N -1 3 389.521 3.801 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](C(C)C)CC2)cc1OC ZINC000604074019 861707743 /nfs/dbraw/zinc/70/77/43/861707743.db2.gz DQLUKFSYJIDVFM-HNNXBMFYSA-N -1 3 397.541 3.747 20 0 GHADHM CC(=O)NCCN(Cc1cc([O-])cc(F)c1)Cc1ccc(Cl)cc1Cl ZINC000503067146 846765213 /nfs/dbraw/zinc/76/52/13/846765213.db2.gz XXUSUVBAOJTCJP-UHFFFAOYSA-N -1 3 385.266 3.976 20 0 GHADHM CC(=O)c1cc(F)cc(F)c1OCc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000731566489 861715593 /nfs/dbraw/zinc/71/55/93/861715593.db2.gz MROJFFAAMJGZDG-UHFFFAOYSA-N -1 3 376.384 3.945 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2nc(-c3ccccc3)oc2C)n[nH]1 ZINC000052778664 846827436 /nfs/dbraw/zinc/82/74/36/846827436.db2.gz AJHDQMKZXVKVJZ-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM COc1ccc(CN(C)CCOc2cccc(C(=O)[O-])c2)cc1OC(F)F ZINC000582365338 846964143 /nfs/dbraw/zinc/96/41/43/846964143.db2.gz QUIAVCIIFRQRNK-UHFFFAOYSA-N -1 3 381.375 3.506 20 0 GHADHM COc1ccc(N[C@@H](C)c2cc(OC)c(OC)cc2C)cc1[N-]S(C)(=O)=O ZINC000272030289 846974105 /nfs/dbraw/zinc/97/41/05/846974105.db2.gz DIRNWQKLFWLQGT-ZDUSSCGKSA-N -1 3 394.493 3.565 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCOc2ccccc21)c1csnc1-c1ccccc1 ZINC000647898036 847059173 /nfs/dbraw/zinc/05/91/73/847059173.db2.gz RHOFBEQHJOFWNX-OAHLLOKOSA-N -1 3 386.498 3.655 20 0 GHADHM CC(C)(c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000434120795 847118682 /nfs/dbraw/zinc/11/86/82/847118682.db2.gz WPQNFLDXZLYJHN-UHFFFAOYSA-N -1 3 375.354 3.959 20 0 GHADHM CC(C)(c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000434120795 847118687 /nfs/dbraw/zinc/11/86/87/847118687.db2.gz WPQNFLDXZLYJHN-UHFFFAOYSA-N -1 3 375.354 3.959 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000158260461 847156806 /nfs/dbraw/zinc/15/68/06/847156806.db2.gz CGVAOPLPKBGPES-BXKDBHETSA-N -1 3 380.318 3.845 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000273003883 847226061 /nfs/dbraw/zinc/22/60/61/847226061.db2.gz PAHBZKODXFYEDQ-LBPRGKRZSA-N -1 3 387.509 3.547 20 0 GHADHM O=C(CCN1CCN(c2ccccc2)CC1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000501989589 847370333 /nfs/dbraw/zinc/37/03/33/847370333.db2.gz GYYYKGKPJLDMGI-UHFFFAOYSA-N -1 3 394.302 3.850 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1cccc(Cl)c1F ZINC001211548661 847568799 /nfs/dbraw/zinc/56/87/99/847568799.db2.gz CMIHOHNSNJCLSW-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC000502195357 847596664 /nfs/dbraw/zinc/59/66/64/847596664.db2.gz MSGJZQFUAJDLMB-HNNXBMFYSA-N -1 3 385.482 3.740 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc([O-])c(F)c1 ZINC000421035259 847635379 /nfs/dbraw/zinc/63/53/79/847635379.db2.gz LHXDKULSFOQAHN-MRXNPFEDSA-N -1 3 388.439 3.610 20 0 GHADHM Cc1c(CN[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)sc2c1cccc2Cl ZINC000414662713 847639600 /nfs/dbraw/zinc/63/96/00/847639600.db2.gz ROIFSYOTIRGULU-ZBFHGGJFSA-N -1 3 394.924 3.663 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ncc(F)cc2F)nc1-c1ccccc1 ZINC000192094438 861813526 /nfs/dbraw/zinc/81/35/26/861813526.db2.gz JLLYOAGLTMYQEM-UHFFFAOYSA-N -1 3 389.383 3.912 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC000481597874 861817424 /nfs/dbraw/zinc/81/74/24/861817424.db2.gz LDIKYJWREHVHMG-LOWVWBTDSA-N -1 3 390.908 3.788 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H](C)Cc3ccc(C)cc3C)c(=O)c2c(OC)c1 ZINC000625406408 861825524 /nfs/dbraw/zinc/82/55/24/861825524.db2.gz CAHVZDKAAGTGPJ-OAHLLOKOSA-N -1 3 394.471 3.523 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@H](OCc4ccncc4)C3)c2c1 ZINC000582610366 847780301 /nfs/dbraw/zinc/78/03/01/847780301.db2.gz WVEDAPHCKQGSAG-QGZVFWFLSA-N -1 3 377.444 3.740 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000421157306 847791044 /nfs/dbraw/zinc/79/10/44/847791044.db2.gz RLDVJYLWZRJCSS-INIZCTEOSA-N -1 3 396.534 3.803 20 0 GHADHM CC[C@H](CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC000899800684 861838988 /nfs/dbraw/zinc/83/89/88/861838988.db2.gz YSUANALVSLOCCA-YADHBBJMSA-N -1 3 394.515 3.506 20 0 GHADHM CC[C@@H](CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC000899800681 861839873 /nfs/dbraw/zinc/83/98/73/861839873.db2.gz YSUANALVSLOCCA-FCHUYYIVSA-N -1 3 394.515 3.506 20 0 GHADHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503694338 847895807 /nfs/dbraw/zinc/89/58/07/847895807.db2.gz GGQDYOIIXUWUMV-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](C)Oc3cccc(C)c3)nc(=O)c2c1C ZINC000006972530 847917799 /nfs/dbraw/zinc/91/77/99/847917799.db2.gz ZWRSLWZXTNFLAK-CHWSQXEVSA-N -1 3 386.473 3.982 20 0 GHADHM O=C(Nc1cccc(SC(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000171213695 861853073 /nfs/dbraw/zinc/85/30/73/861853073.db2.gz NRCDRSKGPXFLIS-OAHLLOKOSA-N -1 3 392.427 3.950 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C ZINC000685002657 848118811 /nfs/dbraw/zinc/11/88/11/848118811.db2.gz DNTDVEJDJKEKTI-UHFFFAOYSA-N -1 3 379.453 3.838 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1C ZINC000728507620 848121462 /nfs/dbraw/zinc/12/14/62/848121462.db2.gz HWHBOKBUKAQVKE-UHFFFAOYSA-N -1 3 394.518 3.968 20 0 GHADHM Cc1ccnc(Oc2cc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)ccc2C)c1 ZINC000277876231 848289339 /nfs/dbraw/zinc/28/93/39/848289339.db2.gz BFOMGQAQIKAACJ-ZDUSSCGKSA-N -1 3 379.338 3.868 20 0 GHADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)c2)n1 ZINC000548771128 848422292 /nfs/dbraw/zinc/42/22/92/848422292.db2.gz JDYWDKUTVDGDBV-UHFFFAOYSA-N -1 3 376.425 3.882 20 0 GHADHM Cc1cc(C)cc([C@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1 ZINC000426752572 849148883 /nfs/dbraw/zinc/14/88/83/849148883.db2.gz DDRVGFTXQLZMCO-INIZCTEOSA-N -1 3 392.249 3.710 20 0 GHADHM CCc1nc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000123844336 849211766 /nfs/dbraw/zinc/21/17/66/849211766.db2.gz AJPSGBLGKDUHPB-VIFPVBQESA-N -1 3 384.299 3.734 20 0 GHADHM Cc1cccc(C2(C(=O)OCC(=O)[N-]C(=O)c3cccs3)CCCCC2)c1 ZINC000061504470 862033172 /nfs/dbraw/zinc/03/31/72/862033172.db2.gz JYDRQKKZOGPLSD-UHFFFAOYSA-N -1 3 385.485 3.758 20 0 GHADHM Cc1cnc(C(C)(C)NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000126180262 849673133 /nfs/dbraw/zinc/67/31/33/849673133.db2.gz TYDQDQMXPNSRGD-UHFFFAOYSA-N -1 3 384.299 3.654 20 0 GHADHM O=C(Nc1ccccc1OCCc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503993233 849826123 /nfs/dbraw/zinc/82/61/23/849826123.db2.gz NNQPYRNJRQHGCO-UHFFFAOYSA-N -1 3 376.391 3.971 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCOCC3CC3)cc2)cc1 ZINC000434213824 849839283 /nfs/dbraw/zinc/83/92/83/849839283.db2.gz LFVDJPDLAHJKMU-UHFFFAOYSA-N -1 3 388.489 3.551 20 0 GHADHM COc1cc(C)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1C ZINC000278245594 849840939 /nfs/dbraw/zinc/84/09/39/849840939.db2.gz WRJLLVUVBMXMJQ-UHFFFAOYSA-N -1 3 392.459 3.749 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(C3CC(F)(F)C3)no2)c1 ZINC000351122520 862068408 /nfs/dbraw/zinc/06/84/08/862068408.db2.gz LYXANSIAMTXONH-UHFFFAOYSA-N -1 3 398.366 3.517 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3c2CCCC3)cc1OC ZINC000448749141 849907004 /nfs/dbraw/zinc/90/70/04/849907004.db2.gz ISMLATKAUOGABE-UHFFFAOYSA-N -1 3 388.489 3.588 20 0 GHADHM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)c2C1 ZINC000486756781 850060538 /nfs/dbraw/zinc/06/05/38/850060538.db2.gz FYKGKPKQHGQHCK-HNNXBMFYSA-N -1 3 386.517 3.782 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000664470559 850106381 /nfs/dbraw/zinc/10/63/81/850106381.db2.gz DASBEVXWYTZPQG-YOEHRIQHSA-N -1 3 397.313 3.645 20 0 GHADHM O=S(=O)([N-]c1ccc(Sc2ccncc2)cc1)c1ccc2c(c1)CCO2 ZINC000435138466 850122201 /nfs/dbraw/zinc/12/22/01/850122201.db2.gz SEYHDKKICOGPLH-UHFFFAOYSA-N -1 3 384.482 3.969 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC(c2cccc(Br)c2)CC1 ZINC000439557808 850142792 /nfs/dbraw/zinc/14/27/92/850142792.db2.gz PCGHAVZARGDTLJ-UHFFFAOYSA-N -1 3 376.250 3.880 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)[n-]1 ZINC000426438670 850184553 /nfs/dbraw/zinc/18/45/53/850184553.db2.gz FAGNIEIIYFNUIN-UHFFFAOYSA-N -1 3 381.310 3.597 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1cc(F)ccc1Br ZINC000435228169 850245438 /nfs/dbraw/zinc/24/54/38/850245438.db2.gz XUVOJDWNEMRRHW-UHFFFAOYSA-N -1 3 398.253 3.855 20 0 GHADHM Cc1ncc(CO)c(/C=N/Cc2ccccc2COCc2ccccc2)c1[O-] ZINC000031643491 850282518 /nfs/dbraw/zinc/28/25/18/850282518.db2.gz ZRTMBQUGJBGAJM-ZMOGYAJESA-N -1 3 376.456 3.924 20 0 GHADHM Cc1cccc([C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C(=O)[O-])c1C ZINC000908751747 850328692 /nfs/dbraw/zinc/32/86/92/850328692.db2.gz NBGHMJPUXSJPJN-NHCUHLMSSA-N -1 3 395.503 3.565 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@H](c4ccccc4)CO3)nc2)n1 ZINC000664383330 850333790 /nfs/dbraw/zinc/33/37/90/850333790.db2.gz OSSADOQOYOJIMN-HKUYNNGSSA-N -1 3 376.460 3.791 20 0 GHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(F)c1I ZINC000871877505 891069128 /nfs/dbraw/zinc/06/91/28/891069128.db2.gz LNIWDIBNVKZAHR-WDEREUQCSA-N -1 3 393.240 3.799 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccsc1 ZINC000908807667 850374986 /nfs/dbraw/zinc/37/49/86/850374986.db2.gz XSFRKJQFPQQBIP-INIZCTEOSA-N -1 3 381.542 3.560 20 0 GHADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000625491836 862127217 /nfs/dbraw/zinc/12/72/17/862127217.db2.gz ANMOTMSBYYSZSE-UHFFFAOYSA-N -1 3 375.359 3.777 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1c[nH]nc1-c1ccncc1 ZINC000435471764 850551002 /nfs/dbraw/zinc/55/10/02/850551002.db2.gz UMMNLBFSDLGBGV-UHFFFAOYSA-N -1 3 399.241 3.843 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc(F)cc2n[n-]nc21 ZINC000505111653 850631599 /nfs/dbraw/zinc/63/15/99/850631599.db2.gz ASKKCULGNSESLE-UHFFFAOYSA-N -1 3 376.395 3.549 20 0 GHADHM Cc1cccc(C[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])c1 ZINC000909238376 850655155 /nfs/dbraw/zinc/65/51/55/850655155.db2.gz JXUWWORIGKFXJT-QFIPXVFZSA-N -1 3 394.515 3.654 20 0 GHADHM CCCCCCN(C)CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909757367 850777343 /nfs/dbraw/zinc/77/73/43/850777343.db2.gz WPRGHLKXWYNWIP-GOSISDBHSA-N -1 3 389.323 3.922 20 0 GHADHM CCSc1cccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1 ZINC000426586260 850867513 /nfs/dbraw/zinc/86/75/13/850867513.db2.gz KQYSXKPSRYKADS-UHFFFAOYSA-N -1 3 375.475 3.887 20 0 GHADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cncnc4)cc3)ccc2O1 ZINC000440285179 851004524 /nfs/dbraw/zinc/00/45/24/851004524.db2.gz TWPRZTQBPAHAFI-UHFFFAOYSA-N -1 3 381.457 3.658 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000732292973 862195616 /nfs/dbraw/zinc/19/56/16/862195616.db2.gz WEYBFKMIGVFFKL-UHFFFAOYSA-N -1 3 394.431 3.612 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cc(OC)c1[O-] ZINC000513965359 851079619 /nfs/dbraw/zinc/07/96/19/851079619.db2.gz XPUCKJGLNXNKFQ-QRWLVFNGSA-N -1 3 385.460 3.628 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H]1c1ccccc1 ZINC000443929077 862220334 /nfs/dbraw/zinc/22/03/34/862220334.db2.gz RCKWMUHZNSCSEZ-KRWDZBQOSA-N -1 3 383.245 3.878 20 0 GHADHM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436159005 851272138 /nfs/dbraw/zinc/27/21/38/851272138.db2.gz XTWQCSIEQNWJKB-UHFFFAOYSA-N -1 3 399.896 3.953 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccc3)[C@@H](O)C(C)C)nc2)n1 ZINC000664532707 851329150 /nfs/dbraw/zinc/32/91/50/851329150.db2.gz USBCLDOEJIYGMA-RTWAWAEBSA-N -1 3 378.476 3.977 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000473642221 851348564 /nfs/dbraw/zinc/34/85/64/851348564.db2.gz WQVAUIFEPOUJRD-UHFFFAOYSA-N -1 3 394.214 3.591 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180602801 862244565 /nfs/dbraw/zinc/24/45/65/862244565.db2.gz YIHJDSWJLHQERE-AWEZNQCLSA-N -1 3 394.450 3.987 20 0 GHADHM O=c1nc(CN2C[C@@H](O)Cc3ccccc32)[n-]c2scc(-c3ccco3)c21 ZINC000434667626 851457216 /nfs/dbraw/zinc/45/72/16/851457216.db2.gz XYWGCDWRUKVUDC-ZDUSSCGKSA-N -1 3 379.441 3.581 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000732391858 862254432 /nfs/dbraw/zinc/25/44/32/862254432.db2.gz OTDDIEHIFCWJJP-HNNXBMFYSA-N -1 3 376.412 3.562 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000509175452 862256749 /nfs/dbraw/zinc/25/67/49/862256749.db2.gz MYYHPNUCSDRRQY-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000132771757 862258830 /nfs/dbraw/zinc/25/88/30/862258830.db2.gz NJOIUQUEEHQKKT-UHFFFAOYSA-N -1 3 391.240 3.942 20 0 GHADHM COc1ccc([C@H](C)NCc2ncc(Br)cc2[O-])c(C)c1OC ZINC000894515803 851582458 /nfs/dbraw/zinc/58/24/58/851582458.db2.gz UUKWNEBZXUHTDO-NSHDSACASA-N -1 3 381.270 3.726 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000101524316 851621468 /nfs/dbraw/zinc/62/14/68/851621468.db2.gz LWIXAMZFVYKLSA-CQSZACIVSA-N -1 3 377.444 3.599 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(F)ccc1Cl ZINC000488671416 851686345 /nfs/dbraw/zinc/68/63/45/851686345.db2.gz SZUNAJAPSCZYNW-DOTOQJQBSA-N -1 3 387.835 3.817 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1F ZINC000488760781 851764468 /nfs/dbraw/zinc/76/44/68/851764468.db2.gz NYRUEJGFAFHBQA-UHFFFAOYSA-N -1 3 395.349 3.513 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)s1 ZINC000911478870 851764561 /nfs/dbraw/zinc/76/45/61/851764561.db2.gz QYVBPWSAZCOJJQ-CQSZACIVSA-N -1 3 388.493 3.905 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(F)cc1OC(F)F)c2=O ZINC000550164132 851786785 /nfs/dbraw/zinc/78/67/85/851786785.db2.gz OVEOPKZCMADRDO-UHFFFAOYSA-N -1 3 396.296 3.669 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1cc(C(F)(F)F)ccc1F ZINC000488825178 851802325 /nfs/dbraw/zinc/80/23/25/851802325.db2.gz PVBRWLBJHOFSSL-UHFFFAOYSA-N -1 3 399.312 3.924 20 0 GHADHM O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(O)cc1[O-] ZINC000436503834 851985359 /nfs/dbraw/zinc/98/53/59/851985359.db2.gz NKZHRWMDRPVRJD-LJQANCHMSA-N -1 3 391.402 3.758 20 0 GHADHM CCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000436510984 851999611 /nfs/dbraw/zinc/99/96/11/851999611.db2.gz GAJBOEAXDKKYCX-UHFFFAOYSA-N -1 3 385.439 3.520 20 0 GHADHM O=C(Nc1ccccc1OCCn1ccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000436549408 852036488 /nfs/dbraw/zinc/03/64/88/852036488.db2.gz PXZBLYZSUGTALC-UHFFFAOYSA-N -1 3 377.444 3.799 20 0 GHADHM O=C(NCCCOCC1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436565262 852068899 /nfs/dbraw/zinc/06/88/99/852068899.db2.gz USOIXNOUIMFPQO-UHFFFAOYSA-N -1 3 385.460 3.748 20 0 GHADHM CC1(C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C1CC1 ZINC000436597974 852083361 /nfs/dbraw/zinc/08/33/61/852083361.db2.gz RTPJSEYAMICHND-IRLDBZIGSA-N -1 3 392.499 3.900 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H](C)CC3)cs2)c1 ZINC000436634029 852128162 /nfs/dbraw/zinc/12/81/62/852128162.db2.gz MXFNCVCUCQTFKO-CYBMUJFWSA-N -1 3 387.505 3.601 20 0 GHADHM COc1cc(CN(C)C(=O)c2c([O-])cccc2O)ccc1OCc1ccccc1 ZINC000436633557 852129324 /nfs/dbraw/zinc/12/93/24/852129324.db2.gz IEGMSUSWGGEXFA-UHFFFAOYSA-N -1 3 393.439 3.958 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c([O-])c1 ZINC000436635183 852129831 /nfs/dbraw/zinc/12/98/31/852129831.db2.gz KMFDNFVKVSGMGK-UHFFFAOYSA-N -1 3 391.471 3.750 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(N[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000436641291 852150798 /nfs/dbraw/zinc/15/07/98/852150798.db2.gz NCJHHFVBFKJGEL-GOSISDBHSA-N -1 3 378.394 3.890 20 0 GHADHM O=C(NCCc1cnc(C2CC2)nc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436669719 852167880 /nfs/dbraw/zinc/16/78/80/852167880.db2.gz MQWGKWJXBBRUJK-UHFFFAOYSA-N -1 3 375.428 3.824 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000112277148 852194120 /nfs/dbraw/zinc/19/41/20/852194120.db2.gz UZHISKVODPFHIL-SNVBAGLBSA-N -1 3 391.353 3.620 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000112277148 852194125 /nfs/dbraw/zinc/19/41/25/852194125.db2.gz UZHISKVODPFHIL-SNVBAGLBSA-N -1 3 391.353 3.620 20 0 GHADHM COc1cc(-c2nc(Cc3cccc(Br)c3)no2)cc(OC)c1[O-] ZINC000436692554 852203580 /nfs/dbraw/zinc/20/35/80/852203580.db2.gz YTWMSPPOWKGNGH-UHFFFAOYSA-N -1 3 391.221 3.813 20 0 GHADHM CCCCOc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1OC ZINC000436693825 852206880 /nfs/dbraw/zinc/20/68/80/852206880.db2.gz DKWFIPXCSUPUNI-UHFFFAOYSA-N -1 3 398.503 3.538 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c1 ZINC000112266425 852210381 /nfs/dbraw/zinc/21/03/81/852210381.db2.gz BBJZDYYXUKQDOK-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436704212 852223210 /nfs/dbraw/zinc/22/32/10/852223210.db2.gz JJNNFIPVBMWRSZ-NRFANRHFSA-N -1 3 375.468 3.659 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000732525372 862334425 /nfs/dbraw/zinc/33/44/25/862334425.db2.gz GJBNOOZPHGPMEE-UHFFFAOYSA-N -1 3 394.468 3.960 20 0 GHADHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)sc1-c1ccc(F)cc1 ZINC000436725009 852250779 /nfs/dbraw/zinc/25/07/79/852250779.db2.gz PHESAWAHXZFFIH-UHFFFAOYSA-N -1 3 398.459 3.728 20 0 GHADHM O=C(Nc1nnc(C2CCOCC2)s1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436725014 852251024 /nfs/dbraw/zinc/25/10/24/852251024.db2.gz UHHJYGZCVMOHDE-UHFFFAOYSA-N -1 3 395.484 3.981 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c([O-])c2O1 ZINC000436758112 852276221 /nfs/dbraw/zinc/27/62/21/852276221.db2.gz LKIKTZAYAZCIRH-UHFFFAOYSA-N -1 3 380.444 3.594 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ccc(O)cc2)CC1 ZINC000436747524 852288133 /nfs/dbraw/zinc/28/81/33/852288133.db2.gz NERUEHZIUYRHRI-UHFFFAOYSA-N -1 3 390.439 3.853 20 0 GHADHM Cc1ccoc1CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436747326 852288285 /nfs/dbraw/zinc/28/82/85/852288285.db2.gz LAIWGGJCMSGHLS-FQEVSTJZSA-N -1 3 392.455 3.813 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436774854 852307625 /nfs/dbraw/zinc/30/76/25/852307625.db2.gz NXRSZRMHXSCGFS-MRXNPFEDSA-N -1 3 396.487 3.604 20 0 GHADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1cc(Cl)cc2c1OCC2 ZINC000426726190 852310344 /nfs/dbraw/zinc/31/03/44/852310344.db2.gz HUYNXYKPDXANCH-SFHVURJKSA-N -1 3 391.920 3.794 20 0 GHADHM Cc1ccc(-n2cnnc2SCc2noc(-c3ccccc3[O-])n2)c(C)c1 ZINC000436776487 852311465 /nfs/dbraw/zinc/31/14/65/852311465.db2.gz JKFMNNZJQIEUCJ-UHFFFAOYSA-N -1 3 379.445 3.932 20 0 GHADHM Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436777775 852312337 /nfs/dbraw/zinc/31/23/37/852312337.db2.gz OJAFRXKPZHPWNR-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM C[C@@H]1CCc2nc(CNC[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])sc2C1 ZINC000426708738 852314871 /nfs/dbraw/zinc/31/48/71/852314871.db2.gz MLTJQZZRJCMODS-TZMCWYRMSA-N -1 3 378.925 3.954 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c([O-])c1 ZINC000436788085 852341034 /nfs/dbraw/zinc/34/10/34/852341034.db2.gz SSWJZDZOACPGBR-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM CC(C)(C)CC[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000426743251 852344697 /nfs/dbraw/zinc/34/46/97/852344697.db2.gz NLUQDHOKGXRAQR-HNNXBMFYSA-N -1 3 385.295 3.943 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1[O-] ZINC000436807582 852368083 /nfs/dbraw/zinc/36/80/83/852368083.db2.gz IXWJPMVXZYFAAN-UHFFFAOYSA-N -1 3 384.413 3.548 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([O-])c1 ZINC000436809995 852368887 /nfs/dbraw/zinc/36/88/87/852368887.db2.gz QJMWUMFNXMIFSA-GOSISDBHSA-N -1 3 381.476 3.771 20 0 GHADHM COc1cc(Cl)c(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)cc1C ZINC000426003506 852400211 /nfs/dbraw/zinc/40/02/11/852400211.db2.gz KQFPMNKVXMULEK-UHFFFAOYSA-N -1 3 390.798 3.899 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000436847398 852414212 /nfs/dbraw/zinc/41/42/12/852414212.db2.gz JXPLQTULQVWVKX-MJGOQNOKSA-N -1 3 393.405 3.705 20 0 GHADHM COCc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426808746 852418389 /nfs/dbraw/zinc/41/83/89/852418389.db2.gz SHSXOHFECAZFET-QGZVFWFLSA-N -1 3 378.266 3.901 20 0 GHADHM Cn1cnc2cc(CN[C@@H](CC(=O)[O-])c3cccc(Br)c3)ccc21 ZINC000426818186 852428916 /nfs/dbraw/zinc/42/89/16/852428916.db2.gz DOCKMLGACMKXNF-HNNXBMFYSA-N -1 3 388.265 3.641 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc(C)ccc2C)c1 ZINC000436873182 852437169 /nfs/dbraw/zinc/43/71/69/852437169.db2.gz OTDHGQYPIITKEH-UHFFFAOYSA-N -1 3 393.443 3.830 20 0 GHADHM CN(CCCNC(=O)C1CCC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436882813 852453583 /nfs/dbraw/zinc/45/35/83/852453583.db2.gz WLTNIZJNCFNPAS-UHFFFAOYSA-N -1 3 382.460 3.563 20 0 GHADHM CCCOC1(c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)CCCCC1 ZINC000436887999 852460496 /nfs/dbraw/zinc/46/04/96/852460496.db2.gz YVIFYHBAFVWMHA-UHFFFAOYSA-N -1 3 387.480 3.642 20 0 GHADHM O=C(Nc1cccc(Cl)c1F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918729 852499886 /nfs/dbraw/zinc/49/98/86/852499886.db2.gz JUEAUMNLJXZRNT-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cccc(OC(F)(F)F)c1F ZINC000489666295 852519130 /nfs/dbraw/zinc/51/91/30/852519130.db2.gz OAWKGCRRLDGYMI-UHFFFAOYSA-N -1 3 377.306 3.581 20 0 GHADHM COc1ccc(C2(CNC(=O)c3cc(NC(C)=O)ccc3[O-])CCCCC2)cc1 ZINC000436945513 852528442 /nfs/dbraw/zinc/52/84/42/852528442.db2.gz AGXOXJCDVSDSDV-UHFFFAOYSA-N -1 3 396.487 3.991 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983003 852570849 /nfs/dbraw/zinc/57/08/49/852570849.db2.gz WGVKCFLANJKOJV-UKRRQHHQSA-N -1 3 387.505 3.741 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)c([O-])c1 ZINC000436987284 852575547 /nfs/dbraw/zinc/57/55/47/852575547.db2.gz IRKRDWLFJNCITG-UHFFFAOYSA-N -1 3 391.471 3.955 20 0 GHADHM COc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nn1C ZINC000436994445 852583150 /nfs/dbraw/zinc/58/31/50/852583150.db2.gz CNAAYWGVBWMSHY-UHFFFAOYSA-N -1 3 380.429 3.663 20 0 GHADHM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C(=O)c1ccc([O-])cc1 ZINC000436995248 852585002 /nfs/dbraw/zinc/58/50/02/852585002.db2.gz QEXFLMXDUKDZPB-UHFFFAOYSA-N -1 3 399.275 3.744 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436985420 852592920 /nfs/dbraw/zinc/59/29/20/852592920.db2.gz CIOMGNXWSGEICM-UKRRQHHQSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000426991450 852595441 /nfs/dbraw/zinc/59/54/41/852595441.db2.gz NARZSBRMXPQQGJ-UHFFFAOYSA-N -1 3 394.328 3.751 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)ccc1F ZINC000031889765 852641279 /nfs/dbraw/zinc/64/12/79/852641279.db2.gz FZBCUMWGVFLZDW-LJQANCHMSA-N -1 3 392.496 3.640 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000506312412 852674169 /nfs/dbraw/zinc/67/41/69/852674169.db2.gz ZRFKVVXKJVGSFM-XJKSGUPXSA-N -1 3 399.545 3.646 20 0 GHADHM O=C(CCCc1csc2ccccc12)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427069965 852689573 /nfs/dbraw/zinc/68/95/73/852689573.db2.gz PLERUTMLLCEFPT-UHFFFAOYSA-N -1 3 377.473 3.967 20 0 GHADHM O=C(CCCc1csc2ccccc12)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427069965 852689586 /nfs/dbraw/zinc/68/95/86/852689586.db2.gz PLERUTMLLCEFPT-UHFFFAOYSA-N -1 3 377.473 3.967 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000427084647 852702986 /nfs/dbraw/zinc/70/29/86/852702986.db2.gz MSPRXEFQYYSIDM-UHFFFAOYSA-N -1 3 384.852 3.753 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000427084647 852702994 /nfs/dbraw/zinc/70/29/94/852702994.db2.gz MSPRXEFQYYSIDM-UHFFFAOYSA-N -1 3 384.852 3.753 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cn(C)nc3-c3cccs3)[nH][n-]2)c1 ZINC000507273167 852740620 /nfs/dbraw/zinc/74/06/20/852740620.db2.gz QDNNOOAPTQVTSW-UHFFFAOYSA-N -1 3 377.473 3.830 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C(F)(F)F)cc3)n[n-]2)o1 ZINC000438700409 852744047 /nfs/dbraw/zinc/74/40/47/852744047.db2.gz WEJXNRSYSAKHBH-JTQLQIEISA-N -1 3 380.326 3.798 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[nH]c(=O)c(Br)c1 ZINC000473593739 852750300 /nfs/dbraw/zinc/75/03/00/852750300.db2.gz OLCPVPBSSUKUMR-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000438731731 852769472 /nfs/dbraw/zinc/76/94/72/852769472.db2.gz UIBYUABXBOZPAT-UHFFFAOYSA-N -1 3 389.395 3.965 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)c1cn[n-]n1 ZINC000518062288 852796852 /nfs/dbraw/zinc/79/68/52/852796852.db2.gz UUQCKNBZEYPBES-UHFFFAOYSA-N -1 3 387.399 3.714 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(F)c(Br)c1 ZINC000438809213 852890149 /nfs/dbraw/zinc/89/01/49/852890149.db2.gz KXDFEEYHVUVLSH-UHFFFAOYSA-N -1 3 396.241 3.575 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000912996832 852978632 /nfs/dbraw/zinc/97/86/32/852978632.db2.gz IOULGIPXTFWVKV-HJWRWDBZSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000912996832 852978643 /nfs/dbraw/zinc/97/86/43/852978643.db2.gz IOULGIPXTFWVKV-HJWRWDBZSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000516782470 852993680 /nfs/dbraw/zinc/99/36/80/852993680.db2.gz RSNYVPIORWZGIN-UHFFFAOYSA-N -1 3 378.407 3.610 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1Br ZINC000437309738 853003745 /nfs/dbraw/zinc/00/37/45/853003745.db2.gz XADJNWATEFKSQS-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCOC)c(OC)c2)cc1 ZINC000507623409 853098219 /nfs/dbraw/zinc/09/82/19/853098219.db2.gz YVVDEKNUYMDMEW-UHFFFAOYSA-N -1 3 393.505 3.864 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1Cl ZINC000507629962 853125583 /nfs/dbraw/zinc/12/55/83/853125583.db2.gz MSAXMZOBRXJTBC-UHFFFAOYSA-N -1 3 395.864 3.893 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298742 853209340 /nfs/dbraw/zinc/20/93/40/853209340.db2.gz BUWFCVCDRKTPJY-OAHLLOKOSA-N -1 3 395.459 3.902 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298742 853209346 /nfs/dbraw/zinc/20/93/46/853209346.db2.gz BUWFCVCDRKTPJY-OAHLLOKOSA-N -1 3 395.459 3.902 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000913298818 853209605 /nfs/dbraw/zinc/20/96/05/853209605.db2.gz DJVGAJGBXVYPLT-JTQLQIEISA-N -1 3 393.321 3.873 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000913298818 853209610 /nfs/dbraw/zinc/20/96/10/853209610.db2.gz DJVGAJGBXVYPLT-JTQLQIEISA-N -1 3 393.321 3.873 20 0 GHADHM CC(C)c1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1ccccc1F ZINC000439029904 853222679 /nfs/dbraw/zinc/22/26/79/853222679.db2.gz XSZWJLPKOCZBOA-UHFFFAOYSA-N -1 3 390.422 3.594 20 0 GHADHM Cc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1OCC1CCOCC1 ZINC000669099231 853307088 /nfs/dbraw/zinc/30/70/88/853307088.db2.gz BLVGEULXCOSBBF-UHFFFAOYSA-N -1 3 381.432 3.635 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1csc(Br)c1)C1CC1 ZINC000519717112 853402367 /nfs/dbraw/zinc/40/23/67/853402367.db2.gz XFCMKKAFXFIGBG-UHFFFAOYSA-N -1 3 394.294 3.688 20 0 GHADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000604769455 862462108 /nfs/dbraw/zinc/46/21/08/862462108.db2.gz QPSHEJKMIFYMNR-ZDUSSCGKSA-N -1 3 398.450 3.608 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000437689121 853420199 /nfs/dbraw/zinc/42/01/99/853420199.db2.gz AEAYMWRQMJBGRH-AUUYWEPGSA-N -1 3 399.434 3.859 20 0 GHADHM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000519744863 853439566 /nfs/dbraw/zinc/43/95/66/853439566.db2.gz IDMJHRMUDOLGEV-QKNQBKEWSA-N -1 3 392.499 3.697 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1ccc(F)cc1C(F)(F)F ZINC000518575616 853524031 /nfs/dbraw/zinc/52/40/31/853524031.db2.gz GCHJQDQAWLSBPD-AWEZNQCLSA-N -1 3 377.334 3.949 20 0 GHADHM CCSCc1ccc(C(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000054849259 853564205 /nfs/dbraw/zinc/56/42/05/853564205.db2.gz XXEFEZQFNPRZNR-UHFFFAOYSA-N -1 3 393.306 3.777 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(C)c(C)c2)cc1OC ZINC000054984381 853624208 /nfs/dbraw/zinc/62/42/08/853624208.db2.gz LDOHJQQDZXWORQ-UHFFFAOYSA-N -1 3 393.534 3.883 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)CN(C)C4)cc2)cc(=O)[n-]1 ZINC000519946539 853638966 /nfs/dbraw/zinc/63/89/66/853638966.db2.gz VFNWILJLKBXCJY-UHFFFAOYSA-N -1 3 375.432 3.747 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000473891184 853685306 /nfs/dbraw/zinc/68/53/06/853685306.db2.gz QHIGQHOHDFKRHY-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000473891184 853685311 /nfs/dbraw/zinc/68/53/11/853685311.db2.gz QHIGQHOHDFKRHY-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000571033806 853699013 /nfs/dbraw/zinc/69/90/13/853699013.db2.gz YMPQQUJGHLHZMV-WBVHZDCISA-N -1 3 393.409 3.813 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000055600288 854019163 /nfs/dbraw/zinc/01/91/63/854019163.db2.gz KZGFQECKDGAWON-UHFFFAOYSA-N -1 3 378.450 3.681 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c2ccccc12 ZINC000481940698 862526558 /nfs/dbraw/zinc/52/65/58/862526558.db2.gz GXTZYBFOKPXNGA-UHFFFAOYSA-N -1 3 394.456 3.784 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c2ccccc12 ZINC000481940698 862526566 /nfs/dbraw/zinc/52/65/66/862526566.db2.gz GXTZYBFOKPXNGA-UHFFFAOYSA-N -1 3 394.456 3.784 20 0 GHADHM CN(CCc1ccc(Br)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163702148 862529420 /nfs/dbraw/zinc/52/94/20/862529420.db2.gz LCTKTNCLSKXSAR-UHFFFAOYSA-N -1 3 381.245 3.678 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)sc1Cl ZINC000473911232 854228484 /nfs/dbraw/zinc/22/84/84/854228484.db2.gz JKARXHFJBIMNHK-GFCCVEGCSA-N -1 3 388.917 3.654 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@H](c3ccccc3)C(C)C)nc(=O)c2c1C ZINC000112699317 854294948 /nfs/dbraw/zinc/29/49/48/854294948.db2.gz SYCVMLMSJYAANU-KRWDZBQOSA-N -1 3 399.516 3.909 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1C ZINC000481968037 862561275 /nfs/dbraw/zinc/56/12/75/862561275.db2.gz SYDROBWCIRHNMP-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM CC(C)c1nnc(CN[C@@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]1 ZINC000623992571 862570168 /nfs/dbraw/zinc/57/01/68/862570168.db2.gz SGDXIGBWNQGEKO-HNNXBMFYSA-N -1 3 399.520 3.580 20 0 GHADHM CCCC[C@@H](C(=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000572370357 854492459 /nfs/dbraw/zinc/49/24/59/854492459.db2.gz NQLIZRLDRLNSML-ZDUSSCGKSA-N -1 3 379.810 3.519 20 0 GHADHM Cn1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c(C(F)(F)F)n1 ZINC000056249245 854600487 /nfs/dbraw/zinc/60/04/87/854600487.db2.gz CLIUSKWJGQJALG-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nccn1C ZINC000624016100 862584431 /nfs/dbraw/zinc/58/44/31/862584431.db2.gz NPFHBJLYZULHLP-JKSUJKDBSA-N -1 3 384.505 3.633 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3nc4c(s3)CCCC4)nc2)n1 ZINC000068699156 854612220 /nfs/dbraw/zinc/61/22/20/854612220.db2.gz RCAVQRLNIZRSJP-UHFFFAOYSA-N -1 3 395.532 3.774 20 0 GHADHM CC1CCN(c2ccc(NC(=O)CCC(=O)[N-]OCc3ccccc3)cc2)CC1 ZINC000171673819 862622559 /nfs/dbraw/zinc/62/25/59/862622559.db2.gz MDIXZVLJJMWLRL-UHFFFAOYSA-N -1 3 395.503 3.890 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](CC4CC4)C3)nc(=O)c2c1C ZINC000550409780 855028766 /nfs/dbraw/zinc/02/87/66/855028766.db2.gz ZOXQTNWBWOSSQJ-GXTWGEPZSA-N -1 3 389.521 3.653 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001212404511 855079775 /nfs/dbraw/zinc/07/97/75/855079775.db2.gz FZMFWSFRXSVUFA-DZGCQCFKSA-N -1 3 384.270 3.731 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C[C@H](C)NC(=O)C3CCCCC3)[nH][n-]2)c1 ZINC000589695017 855111172 /nfs/dbraw/zinc/11/11/72/855111172.db2.gz UWSDGQFNVYWRGA-INIZCTEOSA-N -1 3 382.508 3.529 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000131596072 855151432 /nfs/dbraw/zinc/15/14/32/855151432.db2.gz OTHYRAHVPLHZKF-KXBFYZLASA-N -1 3 387.443 3.742 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c([O-])c1 ZINC000190010118 855257905 /nfs/dbraw/zinc/25/79/05/855257905.db2.gz SLDQUUHHHBPQDP-UHFFFAOYSA-N -1 3 384.476 3.899 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cc(F)cc(F)c1 ZINC000190077711 855266997 /nfs/dbraw/zinc/26/69/97/855266997.db2.gz WBMVXWFIOSKDRU-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1ccc(Br)o1 ZINC000590405741 855392477 /nfs/dbraw/zinc/39/24/77/855392477.db2.gz DAJZYRURAUUZDP-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(N2CCCCCC2)c1)c1ccc(Cl)s1 ZINC000107310781 855401249 /nfs/dbraw/zinc/40/12/49/855401249.db2.gz JZJGCWHXKGISCZ-UHFFFAOYSA-N -1 3 385.942 3.655 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(Cl)s1 ZINC000482084443 862680255 /nfs/dbraw/zinc/68/02/55/862680255.db2.gz PAYDVRXYBCXLPT-UHFFFAOYSA-N -1 3 385.674 3.555 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1oc2ccccc2c1C ZINC000190562744 855453523 /nfs/dbraw/zinc/45/35/23/855453523.db2.gz OPGKYFWKIYHGMG-LBPRGKRZSA-N -1 3 391.420 3.706 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCc2ccccn2)c1)c1ccc(Cl)s1 ZINC000056064048 855464309 /nfs/dbraw/zinc/46/43/09/855464309.db2.gz FBGNKYFJWPLCED-UHFFFAOYSA-N -1 3 394.905 3.854 20 0 GHADHM COc1ccc(-c2cc(C(=O)Nc3ncccc3[O-])nn2-c2ccccc2)cc1 ZINC000059289895 855503893 /nfs/dbraw/zinc/50/38/93/855503893.db2.gz IPSSWRBTUVVZQJ-UHFFFAOYSA-N -1 3 386.411 3.901 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])C1(C(F)(F)F)CCC1 ZINC000590666603 855539945 /nfs/dbraw/zinc/53/99/45/855539945.db2.gz CFUOFHMRDWSBJZ-UHFFFAOYSA-N -1 3 385.123 3.668 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])nnn1-c1ccc(C)cc1 ZINC000056512132 855561709 /nfs/dbraw/zinc/56/17/09/855561709.db2.gz ZWJBAGQEOCGYJB-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000152331675 855633088 /nfs/dbraw/zinc/63/30/88/855633088.db2.gz AIGNQIIKVKQUCJ-VIFPVBQESA-N -1 3 395.399 3.846 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000520567156 855668216 /nfs/dbraw/zinc/66/82/16/855668216.db2.gz OAOBOKPIVNNUHD-UHFFFAOYSA-N -1 3 393.786 3.663 20 0 GHADHM CCOC(=O)C(=Cc1ccc(OC)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815139 855719870 /nfs/dbraw/zinc/71/98/70/855719870.db2.gz RKLIWROFJKAQTP-XNTDXEJSSA-N -1 3 384.457 3.714 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113169 862715690 /nfs/dbraw/zinc/71/56/90/862715690.db2.gz JYKDPLLOJXYCQU-DYVFJYSZSA-N -1 3 399.292 3.929 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC[C@H](F)C3)c2)cc1 ZINC000573117484 855850153 /nfs/dbraw/zinc/85/01/53/855850153.db2.gz HQLSRMJNZHOGAG-RDJZCZTQSA-N -1 3 390.480 3.725 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000573123317 855853065 /nfs/dbraw/zinc/85/30/65/855853065.db2.gz DOULUPXSLVBYKJ-UHFFFAOYSA-N -1 3 380.419 3.646 20 0 GHADHM O=C(NCc1ccc(OCc2ccccc2)cc1)N[N-]C(=O)c1ccccc1F ZINC000045792708 855932483 /nfs/dbraw/zinc/93/24/83/855932483.db2.gz RBYHFXMRFNFHKA-UHFFFAOYSA-N -1 3 393.418 3.549 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nnn1-c1ccc(C)cc1 ZINC000152400922 855936340 /nfs/dbraw/zinc/93/63/40/855936340.db2.gz QDKANVYIEYWNAQ-MDZDMXLPSA-N -1 3 392.444 3.751 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCCC(C)(C)C)cc1OC ZINC000591401174 855982518 /nfs/dbraw/zinc/98/25/18/855982518.db2.gz CREQDNWUQHLSAK-UHFFFAOYSA-N -1 3 385.530 3.795 20 0 GHADHM Cc1cc([C@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)no1 ZINC000027886133 855983910 /nfs/dbraw/zinc/98/39/10/855983910.db2.gz HKRQCPMWEGIFGZ-CQSZACIVSA-N -1 3 382.445 3.878 20 0 GHADHM CCc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cn2)c1 ZINC000591453087 855995822 /nfs/dbraw/zinc/99/58/22/855995822.db2.gz TWWQPJDLVXYFBL-UHFFFAOYSA-N -1 3 387.395 3.572 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2ncc(-c3ccccc3)s2)n[n-]1 ZINC000895103874 856005900 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DXMMKEAIYXTNFU-UHFFFAOYSA-N -1 3 390.443 3.715 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000485964995 857258367 /nfs/dbraw/zinc/25/83/67/857258367.db2.gz GTTRHJGAQRMIOD-NSHDSACASA-N -1 3 399.365 3.842 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000733367251 862892231 /nfs/dbraw/zinc/89/22/31/862892231.db2.gz XDAXFRRCKKGFIA-UHFFFAOYSA-N -1 3 385.763 3.609 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCNc3ccccc3C)c2)n1 ZINC000058381007 857290145 /nfs/dbraw/zinc/29/01/45/857290145.db2.gz LJRKUXSUJSYNOU-UHFFFAOYSA-N -1 3 376.460 3.748 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1c[n-]c2ccccc2c1=O ZINC001128237412 857344804 /nfs/dbraw/zinc/34/48/04/857344804.db2.gz CGQXUFQXLSLQDO-ZDUSSCGKSA-N -1 3 398.846 3.849 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000486026881 857357235 /nfs/dbraw/zinc/35/72/35/857357235.db2.gz HKWMWOWXXKGEES-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000486026881 857357241 /nfs/dbraw/zinc/35/72/41/857357241.db2.gz HKWMWOWXXKGEES-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)C(=O)Nc1ccccc1 ZINC000675461167 857393329 /nfs/dbraw/zinc/39/33/29/857393329.db2.gz MBOKHOVZEQZFDR-UHFFFAOYSA-N -1 3 390.436 3.576 20 0 GHADHM CCN(CC)C(=O)c1ccc([N-]c2nnc(Br)s2)c(OC)c1 ZINC001212459935 857416408 /nfs/dbraw/zinc/41/64/08/857416408.db2.gz QAASBVJNPNBKBJ-UHFFFAOYSA-N -1 3 385.287 3.535 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1F ZINC000060336728 857425665 /nfs/dbraw/zinc/42/56/65/857425665.db2.gz ZDIPKIGNQSPYGJ-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000486101501 857427337 /nfs/dbraw/zinc/42/73/37/857427337.db2.gz AESVYXRMMDFVJO-AWEZNQCLSA-N -1 3 378.350 3.793 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000120999955 857453629 /nfs/dbraw/zinc/45/36/29/857453629.db2.gz KTWIIBNGZBMJMG-UHFFFAOYSA-N -1 3 396.443 3.937 20 0 GHADHM Cn1ccnc1-c1noc([N-]Cc2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000181527437 862913107 /nfs/dbraw/zinc/91/31/07/862913107.db2.gz FBKGQVCEIRGKCE-UHFFFAOYSA-N -1 3 378.417 3.952 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c(C)c1 ZINC000521003602 857481115 /nfs/dbraw/zinc/48/11/15/857481115.db2.gz MRZMEIJUPONUIX-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000675636444 857545542 /nfs/dbraw/zinc/54/55/42/857545542.db2.gz WUDCDRSKIHKWRL-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM O=C(NCc1ccccc1Oc1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000063320168 857608080 /nfs/dbraw/zinc/60/80/80/857608080.db2.gz AQILWBFGQRMEFM-UHFFFAOYSA-N -1 3 387.395 3.684 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)c(=O)[n-]1 ZINC000907371457 857608720 /nfs/dbraw/zinc/60/87/20/857608720.db2.gz YNHOEMFBVYBZEZ-HNNXBMFYSA-N -1 3 394.519 3.700 20 0 GHADHM C[S@@](=O)Cc1ccccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907391681 857617728 /nfs/dbraw/zinc/61/77/28/857617728.db2.gz MVQQHOCIERDEEY-AREMUKBSSA-N -1 3 395.506 3.621 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181589435 862932432 /nfs/dbraw/zinc/93/24/32/862932432.db2.gz WMTVDCCMUPSNDL-DLBZAZTESA-N -1 3 387.835 3.568 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C ZINC000442232974 857659197 /nfs/dbraw/zinc/65/91/97/857659197.db2.gz DCSVTTIFLOLLHL-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000064479345 857713046 /nfs/dbraw/zinc/71/30/46/857713046.db2.gz YHLNYESRWMUBOI-UHFFFAOYSA-N -1 3 391.489 3.727 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)OC)cc2)cc1 ZINC000064479346 857713186 /nfs/dbraw/zinc/71/31/86/857713186.db2.gz URHCUBIDZVIPKH-HNNXBMFYSA-N -1 3 391.489 3.943 20 0 GHADHM Cc1nc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)oc1C ZINC000065802142 857853623 /nfs/dbraw/zinc/85/36/23/857853623.db2.gz VZSFMRRBQNKJBS-UHFFFAOYSA-N -1 3 392.843 3.533 20 0 GHADHM CCCCc1nc(NC(=O)c2oc(=O)c3ccccc3c2C)c(C(=O)OCC)[n-]1 ZINC000594010572 857861401 /nfs/dbraw/zinc/86/14/01/857861401.db2.gz PBXXKRIMDMWHPC-UHFFFAOYSA-N -1 3 397.431 3.596 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000676416336 857872584 /nfs/dbraw/zinc/87/25/84/857872584.db2.gz LKQPKZQHKJEWNP-CVEARBPZSA-N -1 3 384.270 3.597 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cnc(C2CC2)[n-]c1=O ZINC000908015825 857886231 /nfs/dbraw/zinc/88/62/31/857886231.db2.gz HKUVZFQHOVIMBN-UHFFFAOYSA-N -1 3 387.745 3.906 20 0 GHADHM CCCOc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cn1 ZINC000594065622 857913676 /nfs/dbraw/zinc/91/36/76/857913676.db2.gz XOQVUKUMHNUEOS-UHFFFAOYSA-N -1 3 393.447 3.663 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H](c3ccncc3)C2)s1 ZINC000908187571 857985493 /nfs/dbraw/zinc/98/54/93/857985493.db2.gz RZUYZISRUZIFTN-AWEZNQCLSA-N -1 3 388.493 3.905 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594226886 858011105 /nfs/dbraw/zinc/01/11/05/858011105.db2.gz IWUDYPMSJZNPLO-AEGPPILISA-N -1 3 394.487 3.723 20 0 GHADHM CC(=O)c1cccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000908334498 858039984 /nfs/dbraw/zinc/03/99/84/858039984.db2.gz LZMPSLHDLCHVNK-UHFFFAOYSA-N -1 3 375.450 3.623 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000574634383 858124966 /nfs/dbraw/zinc/12/49/66/858124966.db2.gz QPCPRFXAMJZALO-PBHICJAKSA-N -1 3 398.507 3.611 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CC1)c1cnccc1C(F)(F)F ZINC000442765851 858126609 /nfs/dbraw/zinc/12/66/09/858126609.db2.gz NEPPFQNKCKEKKM-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)c1 ZINC000594695879 858271437 /nfs/dbraw/zinc/27/14/37/858271437.db2.gz KPNLTVAAWWCEPI-LLVKDONJSA-N -1 3 399.415 3.730 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000594816209 858285221 /nfs/dbraw/zinc/28/52/21/858285221.db2.gz SVBQFJIJXMGQBD-UHFFFAOYSA-N -1 3 384.386 3.631 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000443009849 858308894 /nfs/dbraw/zinc/30/88/94/858308894.db2.gz LLPMDJBAMAVWGN-NVXWUHKLSA-N -1 3 391.464 3.617 20 0 GHADHM O=c1[n-]nc(SCc2ncc(-c3ccc(F)cc3)o2)n1CCc1ccccc1 ZINC000010414737 858316353 /nfs/dbraw/zinc/31/63/53/858316353.db2.gz LDTUGTWVSXMTOU-UHFFFAOYSA-N -1 3 396.447 3.901 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000443083184 858357047 /nfs/dbraw/zinc/35/70/47/858357047.db2.gz UVNTXMKKXABDSF-UHFFFAOYSA-N -1 3 387.482 3.656 20 0 GHADHM CSc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)c1 ZINC000521844316 858361212 /nfs/dbraw/zinc/36/12/12/858361212.db2.gz XWPZOOCIFYAMSN-NSHDSACASA-N -1 3 376.865 3.759 20 0 GHADHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1nc(CCC2CCCC2)n[n-]1 ZINC000595031519 858373918 /nfs/dbraw/zinc/37/39/18/858373918.db2.gz XEHMOPAXAOOVTB-UHFFFAOYSA-N -1 3 387.427 3.920 20 0 GHADHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1nnc(CCC2CCCC2)[n-]1 ZINC000595031519 858373922 /nfs/dbraw/zinc/37/39/22/858373922.db2.gz XEHMOPAXAOOVTB-UHFFFAOYSA-N -1 3 387.427 3.920 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCCCC1 ZINC000443115890 858382615 /nfs/dbraw/zinc/38/26/15/858382615.db2.gz OEQGHUYVKNMDNT-UHFFFAOYSA-N -1 3 391.464 3.750 20 0 GHADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000443239802 858496310 /nfs/dbraw/zinc/49/63/10/858496310.db2.gz ZTVFYARQJDGVCE-INIZCTEOSA-N -1 3 393.480 3.692 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC000443261225 858512001 /nfs/dbraw/zinc/51/20/01/858512001.db2.gz GECLVGTWWKCXJH-HNNXBMFYSA-N -1 3 383.828 3.546 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC(OC2CCCC2)CC1 ZINC000522008484 858533519 /nfs/dbraw/zinc/53/35/19/858533519.db2.gz QWYOEVOBKMKGCB-KRWDZBQOSA-N -1 3 382.298 3.998 20 0 GHADHM CCn1nccc1C1CCN(c2c(C(=O)[O-])cnc3ccc(OC)cc32)CC1 ZINC000575126532 858573030 /nfs/dbraw/zinc/57/30/30/858573030.db2.gz ICCZNPDWQSXXLE-UHFFFAOYSA-N -1 3 380.448 3.542 20 0 GHADHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000443388443 858622250 /nfs/dbraw/zinc/62/22/50/858622250.db2.gz TVUZAXSQJDNPKV-SNVBAGLBSA-N -1 3 393.814 3.974 20 0 GHADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000443405184 858646893 /nfs/dbraw/zinc/64/68/93/858646893.db2.gz AFLSQKMDIDTFDO-UHFFFAOYSA-N -1 3 390.505 3.574 20 0 GHADHM CCCc1c([N-]S(=O)(=O)CCc2ccccc2)cnn1-c1cccc(F)c1 ZINC000543162671 858692262 /nfs/dbraw/zinc/69/22/62/858692262.db2.gz HSKGJGSUBGRDET-UHFFFAOYSA-N -1 3 387.480 3.948 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000482664033 858729990 /nfs/dbraw/zinc/72/99/90/858729990.db2.gz CNGBTXUAMPYEOG-OAHLLOKOSA-N -1 3 389.381 3.607 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C3CC3)C3CCCC3)cs2)c1 ZINC000183565947 858773443 /nfs/dbraw/zinc/77/34/43/858773443.db2.gz BKZVRZPPBCSUBT-UHFFFAOYSA-N -1 3 399.516 3.886 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]3C3CCC3)cs2)c1 ZINC000183704797 858802296 /nfs/dbraw/zinc/80/22/96/858802296.db2.gz ZTCJJYHGOVMVLQ-KRWDZBQOSA-N -1 3 399.516 3.743 20 0 GHADHM O=C([O-])CCC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000665341813 858802589 /nfs/dbraw/zinc/80/25/89/858802589.db2.gz GIUQDTATPQPEFA-UHFFFAOYSA-N -1 3 392.297 3.712 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2c(Cl)ccc(Cl)c2Cl)[n-]1 ZINC000895236464 858839698 /nfs/dbraw/zinc/83/96/98/858839698.db2.gz SKWVIAFMTIKFQE-SSDOTTSWSA-N -1 3 377.659 3.792 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC2(CC2)C1 ZINC000184110606 858875807 /nfs/dbraw/zinc/87/58/07/858875807.db2.gz JDIAYJZWXLWNLQ-HXUWFJFHSA-N -1 3 378.472 3.656 20 0 GHADHM CCc1cc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1C ZINC000482821014 858881214 /nfs/dbraw/zinc/88/12/14/858881214.db2.gz FFVCNISFKNAGBL-UHFFFAOYSA-N -1 3 390.505 3.725 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000116203482 858894646 /nfs/dbraw/zinc/89/46/46/858894646.db2.gz BALROZGZDBAMNA-MHZLTWQESA-N -1 3 382.485 3.828 20 0 GHADHM Cc1sc(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)nc1-c1ccccc1 ZINC000443536959 858915502 /nfs/dbraw/zinc/91/55/02/858915502.db2.gz HEOHHSHKXAZYDO-UHFFFAOYSA-N -1 3 389.480 3.933 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c2ccccc21 ZINC000155154959 881362382 /nfs/dbraw/zinc/36/23/82/881362382.db2.gz ADINOOOAJWNATK-ZPBCLNFZSA-N -1 3 389.842 3.725 20 0 GHADHM CNC(=O)c1ccc(OC)c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000094015297 858949666 /nfs/dbraw/zinc/94/96/66/858949666.db2.gz BVCHAEIVQXJOCC-UHFFFAOYSA-N -1 3 390.439 3.604 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(F)cc1F ZINC000466286041 858990961 /nfs/dbraw/zinc/99/09/61/858990961.db2.gz FAXWTAXJVAJWMF-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1sccc1Br ZINC000509624347 859016042 /nfs/dbraw/zinc/01/60/42/859016042.db2.gz UFGVYNBAPPHTGU-UHFFFAOYSA-N -1 3 396.328 3.850 20 0 GHADHM CCCC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(OC)cc1 ZINC000482970436 859021869 /nfs/dbraw/zinc/02/18/69/859021869.db2.gz KDSCYQQNIZFWTJ-ZDUSSCGKSA-N -1 3 385.390 3.563 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ncc(C(C)(C)C)s3)c([O-])c2c(OC)c1 ZINC000625878187 859069835 /nfs/dbraw/zinc/06/98/35/859069835.db2.gz RWVPUAFDBHDUGF-UHFFFAOYSA-N -1 3 387.461 3.552 20 0 GHADHM O=c1[n-]c(SCCCOCc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000185368818 859076406 /nfs/dbraw/zinc/07/64/06/859076406.db2.gz XYACURPWZXFCIE-UHFFFAOYSA-N -1 3 392.484 3.808 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000113415306 859108051 /nfs/dbraw/zinc/10/80/51/859108051.db2.gz GHZDVCGBGHBYIK-ZDUSSCGKSA-N -1 3 396.509 3.873 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000483096795 859134251 /nfs/dbraw/zinc/13/42/51/859134251.db2.gz KVCLFIDMUNTWTK-YDEJPDAXSA-N -1 3 387.793 3.673 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)c[n-]c12 ZINC000483122362 859149927 /nfs/dbraw/zinc/14/99/27/859149927.db2.gz RJMHQTNXZYUIFR-UHFFFAOYSA-N -1 3 389.455 3.633 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509388663 859274927 /nfs/dbraw/zinc/27/49/27/859274927.db2.gz QZPJIXVBIZQCSF-UHFFFAOYSA-N -1 3 375.368 3.853 20 0 GHADHM Cn1cnnc1-c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000194645760 859298327 /nfs/dbraw/zinc/29/83/27/859298327.db2.gz NQTLKYHGRXILSU-UHFFFAOYSA-N -1 3 397.287 3.731 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CCc2ccccc2)no1 ZINC000113745382 859345781 /nfs/dbraw/zinc/34/57/81/859345781.db2.gz KRFKTSHUIMRSLU-ZDUSSCGKSA-N -1 3 391.880 3.548 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1c(Cl)cccc1Br ZINC000509412494 859360384 /nfs/dbraw/zinc/36/03/84/859360384.db2.gz BPNINQLOUCHQAA-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000509413034 859363663 /nfs/dbraw/zinc/36/36/63/859363663.db2.gz AUOPXAIDEINPER-INIZCTEOSA-N -1 3 396.274 3.982 20 0 GHADHM CS[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000117318411 859391862 /nfs/dbraw/zinc/39/18/62/859391862.db2.gz LCOBDYCFKOGREM-RYUDHWBXSA-N -1 3 395.322 3.695 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923528591 859396699 /nfs/dbraw/zinc/39/66/99/859396699.db2.gz GDOGWCMYAYOJDG-GQWLDOHISA-N -1 3 394.471 3.849 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)C1CCC1 ZINC001211883185 859561254 /nfs/dbraw/zinc/56/12/54/859561254.db2.gz HATXUDIFLYAOGG-UHFFFAOYSA-N -1 3 381.519 3.793 20 0 GHADHM CO[C@@H](C)CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761235231 859741788 /nfs/dbraw/zinc/74/17/88/859741788.db2.gz MXMSYJBYJXIENR-AWEZNQCLSA-N -1 3 395.452 3.517 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccs1 ZINC000096585151 859885268 /nfs/dbraw/zinc/88/52/68/859885268.db2.gz VUQOEBTVDOKAPP-UHFFFAOYSA-N -1 3 380.354 3.828 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CC(C)C)CC(C)(C)C)cc1OC ZINC000474359321 859920328 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CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000484928824 860504584 /nfs/dbraw/zinc/50/45/84/860504584.db2.gz WFWJBDZSEYONPU-UHFFFAOYSA-N -1 3 396.509 3.877 20 0 GHADHM CSc1cc(C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000840497740 860610084 /nfs/dbraw/zinc/61/00/84/860610084.db2.gz CYRDSLLPPNDXMK-UHFFFAOYSA-N -1 3 396.509 3.795 20 0 GHADHM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000466972969 860634678 /nfs/dbraw/zinc/63/46/78/860634678.db2.gz BATQHAQWTXSMFS-YOEHRIQHSA-N -1 3 397.541 3.889 20 0 GHADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]2CCCC[C@@H]12 ZINC000598910874 860669158 /nfs/dbraw/zinc/66/91/58/860669158.db2.gz XUOSVJWPJUQVHB-XHSDSOJGSA-N -1 3 385.382 3.605 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(C)C)nc3)c2)n1 ZINC000494325426 881579660 /nfs/dbraw/zinc/57/96/60/881579660.db2.gz CKDPIIMSJBXGAI-UHFFFAOYSA-N -1 3 377.448 3.879 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2coc(-c3ccc(F)cc3)n2)[nH][n-]1 ZINC000603547508 860817034 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O=C(CCC(=O)c1ccccc1)[N-]OCc1ccc(F)cc1Br ZINC000186655861 860933906 /nfs/dbraw/zinc/93/39/06/860933906.db2.gz QJMUGRBDVSOVHG-UHFFFAOYSA-N -1 3 380.213 3.799 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000329044837 860974032 /nfs/dbraw/zinc/97/40/32/860974032.db2.gz FKBSDYNRKPVFPY-CQSZACIVSA-N -1 3 397.846 3.986 20 0 GHADHM CCOc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc(Cl)c1[O-] ZINC000192883749 861004201 /nfs/dbraw/zinc/00/42/01/861004201.db2.gz YZVIJHPVTXRTOC-INIZCTEOSA-N -1 3 380.847 3.616 20 0 GHADHM COc1cc(C)cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1O ZINC000730357659 861052482 /nfs/dbraw/zinc/05/24/82/861052482.db2.gz AORQTSYKJNUYDV-SNVBAGLBSA-N -1 3 388.445 3.954 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000625167307 861065744 /nfs/dbraw/zinc/06/57/44/861065744.db2.gz JHGLAHPJWKQAGC-LJQANCHMSA-N -1 3 384.863 3.942 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(F)cc3n[n-]nc32)c2ccccc2)cc1 ZINC000669694499 861069094 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ZINC000554249094 863996161 /nfs/dbraw/zinc/99/61/61/863996161.db2.gz ALAWUXKVHFVYGQ-UHFFFAOYSA-N -1 3 396.310 3.532 20 0 GHADHM COc1nc(C)cc(C)c1CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000621390997 864119895 /nfs/dbraw/zinc/11/98/95/864119895.db2.gz UEZCCKXWNRVZFJ-UHFFFAOYSA-N -1 3 378.432 3.734 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](C)[C@H]3C)c2)cc1 ZINC000480141135 864156973 /nfs/dbraw/zinc/15/69/73/864156973.db2.gz BQRROVABWSOXEM-DOTOQJQBSA-N -1 3 386.517 3.975 20 0 GHADHM O=S(=O)(C=Cc1cccc(Cl)c1)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000184213565 864241783 /nfs/dbraw/zinc/24/17/83/864241783.db2.gz QCIMKHLUMKYKKD-VOTSOKGWSA-N -1 3 377.775 3.671 20 0 GHADHM CCCc1ccc(CNCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)s1 ZINC000856795537 881747682 /nfs/dbraw/zinc/74/76/82/881747682.db2.gz GDSCTGXIGVSKBA-UHFFFAOYSA-N -1 3 392.525 3.511 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c(=O)[n-]1 ZINC000104415994 864319346 /nfs/dbraw/zinc/31/93/46/864319346.db2.gz FFMIJOLHRZNYOP-UHFFFAOYSA-N 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864633321 /nfs/dbraw/zinc/63/33/21/864633321.db2.gz CAUYRTLWBUOECF-UHFFFAOYSA-N -1 3 391.475 3.872 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(Oc2ncccc2F)CC1 ZINC000621977044 864648999 /nfs/dbraw/zinc/64/89/99/864648999.db2.gz SOXBXSBOFNQRBP-UHFFFAOYSA-N -1 3 384.329 3.629 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000554632319 864652781 /nfs/dbraw/zinc/65/27/81/864652781.db2.gz LKSDDOCUWYUFKI-SMDDNHRTSA-N -1 3 381.270 3.607 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000567409938 864700934 /nfs/dbraw/zinc/70/09/34/864700934.db2.gz HHHMWVCLUATMEG-PEGIJTEDSA-N -1 3 396.372 3.691 20 0 GHADHM CSc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n[n-]1 ZINC000480495781 864734539 /nfs/dbraw/zinc/73/45/39/864734539.db2.gz VGCMORFXHLZQMK-SJORKVTESA-N -1 3 380.473 3.848 20 0 GHADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n[n-]1 ZINC000480495775 864734723 /nfs/dbraw/zinc/73/47/23/864734723.db2.gz VGCMORFXHLZQMK-IAGOWNOFSA-N -1 3 380.473 3.848 20 0 GHADHM CCc1ccc(C(=O)NCCC(=O)Nc2cc(C)c(Cl)cc2OC)c([O-])c1 ZINC000622409913 864991322 /nfs/dbraw/zinc/99/13/22/864991322.db2.gz WNJHXJYSONNWJA-UHFFFAOYSA-N -1 3 390.867 3.684 20 0 GHADHM CC(C)(NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)NCC1CCCCC1 ZINC000622451778 865002047 /nfs/dbraw/zinc/00/20/47/865002047.db2.gz RVWGHOQGFCBUDT-UHFFFAOYSA-N -1 3 386.414 3.616 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nc(-c2ccccc2)no1 ZINC000120971014 881824898 /nfs/dbraw/zinc/82/48/98/881824898.db2.gz GMXIHJZVQRBADV-LLVKDONJSA-N -1 3 395.843 3.611 20 0 GHADHM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000184909993 865028274 /nfs/dbraw/zinc/02/82/74/865028274.db2.gz QXOFNBIHSAUVHR-NTMALXAHSA-N -1 3 394.214 3.766 20 0 GHADHM CCc1ccc([C@H]2COCCN2Cc2cc(=O)oc3cc([O-])c(CC)cc23)o1 ZINC000736319066 865175276 /nfs/dbraw/zinc/17/52/76/865175276.db2.gz UCPOMXGBVBVBNU-GOSISDBHSA-N -1 3 383.444 3.790 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)cc1[N-]S(C)(=O)=O 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COc1ccc([C@H](N/C=C2\C(=O)[N-]C(=O)c3ccccc32)c2ccc(C)cc2)cc1 ZINC000920178173 881853971 /nfs/dbraw/zinc/85/39/71/881853971.db2.gz PIOMLEMDSOZOGG-UAPYWLNTSA-N -1 3 398.462 3.994 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000737762082 865433500 /nfs/dbraw/zinc/43/35/00/865433500.db2.gz YYEMDMNIIYWIMC-AWEZNQCLSA-N -1 3 380.897 3.674 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1CC1CCCCC1 ZINC000738100977 865487170 /nfs/dbraw/zinc/48/71/70/865487170.db2.gz VNFJNMMOCPDHCG-KRWDZBQOSA-N -1 3 386.475 3.650 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1CC1CCCCC1 ZINC000738100977 865487176 /nfs/dbraw/zinc/48/71/76/865487176.db2.gz VNFJNMMOCPDHCG-KRWDZBQOSA-N -1 3 386.475 3.650 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccnc1Cl ZINC000738367861 865531313 /nfs/dbraw/zinc/53/13/13/865531313.db2.gz ZDRQBKMFCDJABU-CMPLNLGQSA-N -1 3 376.787 3.588 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc3ccccc3c2)o1 ZINC000063875320 865543976 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CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(F)(F)F ZINC000660197486 866338993 /nfs/dbraw/zinc/33/89/93/866338993.db2.gz DMDBRBWJKNRSEV-UHFFFAOYSA-N -1 3 392.212 3.845 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000179761700 866377521 /nfs/dbraw/zinc/37/75/21/866377521.db2.gz LXFIREDHCZIMNS-AWEZNQCLSA-N -1 3 389.883 3.673 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000614793078 866409380 /nfs/dbraw/zinc/40/93/80/866409380.db2.gz DBFUXYWPKHZIHN-UHFFFAOYSA-N -1 3 393.505 3.938 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC000478687189 866502074 /nfs/dbraw/zinc/50/20/74/866502074.db2.gz RNUQLCGXGARJMV-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295319 881982940 /nfs/dbraw/zinc/98/29/40/881982940.db2.gz VCTJPTPGTMZFAR-WCQYABFASA-N -1 3 386.805 3.931 20 0 GHADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3[O-])c(C)c12 ZINC000153491260 866535990 /nfs/dbraw/zinc/53/59/90/866535990.db2.gz IWDHTNNZGNKXAV-UHFFFAOYSA-N -1 3 388.855 3.524 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1 ZINC000478784791 866665887 /nfs/dbraw/zinc/66/58/87/866665887.db2.gz BTIQSYQBJRBYPI-UHFFFAOYSA-N -1 3 396.372 3.776 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)ccc1F ZINC000741654251 866695809 /nfs/dbraw/zinc/69/58/09/866695809.db2.gz MQZAIXJAFLQXDP-UHFFFAOYSA-N -1 3 395.452 3.899 20 0 GHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3ccc(C)cc3)n2)s1 ZINC000444468958 866708947 /nfs/dbraw/zinc/70/89/47/866708947.db2.gz CRCFQVPXFDZHIX-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM CN(C(=O)CSc1nnc([N-]c2ccccc2F)s1)c1nccs1 ZINC000053368874 866772828 /nfs/dbraw/zinc/77/28/28/866772828.db2.gz FFNONGGDHPSXJM-UHFFFAOYSA-N -1 3 381.483 3.632 20 0 GHADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000620494663 866791338 /nfs/dbraw/zinc/79/13/38/866791338.db2.gz CSZAXXXVLNQJOP-UHFFFAOYSA-N -1 3 393.834 3.773 20 0 GHADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640295763 882019826 /nfs/dbraw/zinc/01/98/26/882019826.db2.gz CYHXVAYJDSYHOG-ZWNOBZJWSA-N -1 3 387.793 3.531 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(C2)CCCCC3)ccc1F ZINC000741975526 866962970 /nfs/dbraw/zinc/96/29/70/866962970.db2.gz QAUHTJHWDLPIER-UHFFFAOYSA-N -1 3 396.528 3.699 20 0 GHADHM Cc1nc([C@H]2CCCN2C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cs1 ZINC000640295991 882041433 /nfs/dbraw/zinc/04/14/33/882041433.db2.gz HRXSJZOEVGFOPM-LLVKDONJSA-N -1 3 393.822 3.655 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000523321954 867068966 /nfs/dbraw/zinc/06/89/66/867068966.db2.gz PNELZDFZAKEVOM-QGZVFWFLSA-N -1 3 383.448 3.507 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000534604199 867116411 /nfs/dbraw/zinc/11/64/11/867116411.db2.gz GODONEWXAJBEOO-NSHDSACASA-N -1 3 389.370 3.784 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1OCC(C)C ZINC000553307149 867169583 /nfs/dbraw/zinc/16/95/83/867169583.db2.gz APVIGYGPMNMACF-ZDUSSCGKSA-N -1 3 385.464 3.594 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1C ZINC000153966013 867180269 /nfs/dbraw/zinc/18/02/69/867180269.db2.gz ZYUCAFDYAZMMRH-UHFFFAOYSA-N -1 3 390.574 3.961 20 0 GHADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2C1 ZINC000479133048 867198698 /nfs/dbraw/zinc/19/86/98/867198698.db2.gz BMKQNFINDAWQIJ-AWEZNQCLSA-N -1 3 388.489 3.720 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1cc(I)c(F)cc1F ZINC000154019864 867207853 /nfs/dbraw/zinc/20/78/53/867207853.db2.gz WVLAYNKYMJUWSW-UHFFFAOYSA-N -1 3 392.143 3.681 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Sc1ccccc1 ZINC000742331991 867212090 /nfs/dbraw/zinc/21/20/90/867212090.db2.gz BNUYNUFWOFJSRB-JTQLQIEISA-N -1 3 377.318 3.848 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000742320731 867226243 /nfs/dbraw/zinc/22/62/43/867226243.db2.gz ZHMINMKLRGBBPO-CUOATXAZSA-N -1 3 388.320 3.711 20 0 GHADHM CCn1c(CCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)nc2ccccc21 ZINC000742398413 867264527 /nfs/dbraw/zinc/26/45/27/867264527.db2.gz WGHDEVBECDOVGD-UHFFFAOYSA-N -1 3 388.475 3.885 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000553454179 867446619 /nfs/dbraw/zinc/44/66/19/867446619.db2.gz UZBMJGJMPIFWOO-KRWDZBQOSA-N -1 3 391.349 3.865 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000620805077 867488854 /nfs/dbraw/zinc/48/88/54/867488854.db2.gz IVOKTQMPAFVSOQ-TZMCWYRMSA-N -1 3 375.387 3.753 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c([O-])c1 ZINC000534827917 867555743 /nfs/dbraw/zinc/55/57/43/867555743.db2.gz RYQWBZWHLNRUHQ-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM Cc1ccc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000742830745 867610635 /nfs/dbraw/zinc/61/06/35/867610635.db2.gz MDNPLUDCNWUFKZ-SFHVURJKSA-N -1 3 388.508 3.952 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CC2)c(Cl)cc1Cl ZINC000920455448 882115469 /nfs/dbraw/zinc/11/54/69/882115469.db2.gz FWQKVZWFJCERHM-JTQLQIEISA-N -1 3 393.336 3.695 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155305283 867860779 /nfs/dbraw/zinc/86/07/79/867860779.db2.gz MZVIKLUHHHWDFV-HHHXNRCGSA-N -1 3 397.378 3.613 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccn(-c2ccccc2)n1 ZINC000155731245 868067354 /nfs/dbraw/zinc/06/73/54/868067354.db2.gz HELHLCPJIMZSIW-UHFFFAOYSA-N -1 3 387.237 3.662 20 0 GHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000156214987 868290172 /nfs/dbraw/zinc/29/01/72/868290172.db2.gz YYGDTWDQSOGNIS-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1cncc(F)c1 ZINC000553865326 868373861 /nfs/dbraw/zinc/37/38/61/868373861.db2.gz JRTUNIIKSRPUSI-UHFFFAOYSA-N -1 3 385.464 3.654 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1c(C)noc1C ZINC000535248299 868430885 /nfs/dbraw/zinc/43/08/85/868430885.db2.gz RELIAEOFTGRHJG-LBPRGKRZSA-N -1 3 391.262 3.623 20 0 GHADHM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000793468949 882207615 /nfs/dbraw/zinc/20/76/15/882207615.db2.gz PKIKUFHCIQVTMI-UHFFFAOYSA-N -1 3 392.477 3.646 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3cnccc32)cc1-c1nnn[n-]1 ZINC000825553001 882208630 /nfs/dbraw/zinc/20/86/30/882208630.db2.gz HLBLXKNNMMBADN-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3cnccc32)cc1-c1nn[n-]n1 ZINC000825553001 882208642 /nfs/dbraw/zinc/20/86/42/882208642.db2.gz HLBLXKNNMMBADN-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)Cc3c[nH]c4ccc(F)cc34)c2)n1 ZINC000744219175 868675588 /nfs/dbraw/zinc/67/55/88/868675588.db2.gz MXUCUNKDLIBHME-UHFFFAOYSA-N -1 3 377.375 3.926 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)s1 ZINC000428412326 868726581 /nfs/dbraw/zinc/72/65/81/868726581.db2.gz HRBRYAHBXXGADM-SECBINFHSA-N -1 3 376.297 3.564 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1SCCc2sccc21 ZINC000648433072 882221951 /nfs/dbraw/zinc/22/19/51/882221951.db2.gz RQUAKWIQPYIALU-JTQLQIEISA-N -1 3 381.832 3.551 20 0 GHADHM COc1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc(OC)c1[O-] ZINC000158270559 868913653 /nfs/dbraw/zinc/91/36/53/868913653.db2.gz MVQZZHUYAFMBGD-UHFFFAOYSA-N -1 3 382.243 3.915 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1N1CCCCC1=O ZINC000005330176 882244547 /nfs/dbraw/zinc/24/45/47/882244547.db2.gz CNPFCLOUAQDPCI-UHFFFAOYSA-N -1 3 388.489 3.630 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000462263713 869136649 /nfs/dbraw/zinc/13/66/49/869136649.db2.gz ZFCTXZCVNNWJDP-YGRLFVJLSA-N -1 3 395.324 3.957 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000462305901 869210754 /nfs/dbraw/zinc/21/07/54/869210754.db2.gz NOCHDHWSTPOYJQ-ZIAGYGMSSA-N -1 3 397.846 3.985 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COc2cccc(F)c2)c1 ZINC000445950504 869214393 /nfs/dbraw/zinc/21/43/93/869214393.db2.gz XZOMKDUNAAYKFH-HNNXBMFYSA-N -1 3 382.313 3.782 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CSc3ccccc32)s1 ZINC000462334953 869270433 /nfs/dbraw/zinc/27/04/33/869270433.db2.gz WHFJOJQJFKHVGZ-NSHDSACASA-N -1 3 390.349 3.944 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(F)c1 ZINC000524587508 869280094 /nfs/dbraw/zinc/28/00/94/869280094.db2.gz XVURBMZBXQLQHI-UHFFFAOYSA-N -1 3 394.321 3.607 20 0 GHADHM CCc1cc2c(COC(=O)[C@H](c3ccccc3)N(C)CC)cc(=O)oc2cc1[O-] ZINC000745100683 869289535 /nfs/dbraw/zinc/28/95/35/869289535.db2.gz MUPXLEUKNJWUSS-QFIPXVFZSA-N -1 3 395.455 3.797 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000524614319 869345838 /nfs/dbraw/zinc/34/58/38/869345838.db2.gz GJNCPDLFRDBATM-UHFFFAOYSA-N -1 3 391.489 3.837 20 0 GHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462394698 869346874 /nfs/dbraw/zinc/34/68/74/869346874.db2.gz NKOSQGSQOUCNDS-SECBINFHSA-N -1 3 384.723 3.584 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(CSc2cc(C)ccc2C)c1 ZINC000524646698 869397788 /nfs/dbraw/zinc/39/77/88/869397788.db2.gz ZYQHZEYUWHJLPE-IBGZPJMESA-N -1 3 395.528 3.838 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1cc(F)c(F)c(F)c1 ZINC000462424034 869418375 /nfs/dbraw/zinc/41/83/75/869418375.db2.gz WXXMVDKJDHJXNV-CYBMUJFWSA-N -1 3 377.384 3.758 20 0 GHADHM COc1ccc2nc(-c3csc(I)c3)[n-]c(=O)c2c1 ZINC000446149872 869441643 /nfs/dbraw/zinc/44/16/43/869441643.db2.gz QIBVIRRREJYTPG-UHFFFAOYSA-N -1 3 384.198 3.677 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1 ZINC000524691390 869456539 /nfs/dbraw/zinc/45/65/39/869456539.db2.gz BJKJIONLIYJJIE-UHFFFAOYSA-N -1 3 396.468 3.941 20 0 GHADHM O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000462475445 869498673 /nfs/dbraw/zinc/49/86/73/869498673.db2.gz PMRZFAGBOZKDPF-UHFFFAOYSA-N -1 3 381.828 3.828 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccccc2Cl)s1 ZINC000462510916 869603199 /nfs/dbraw/zinc/60/31/99/869603199.db2.gz HYINHNRTHGRPGQ-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCCC2 ZINC000462678298 869888630 /nfs/dbraw/zinc/88/86/30/869888630.db2.gz NGLKWURVOYZQHA-GHMZBOCLSA-N -1 3 394.356 3.527 20 0 GHADHM COc1cc(F)cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000539856182 869905196 /nfs/dbraw/zinc/90/51/96/869905196.db2.gz JGYXASPQQVBLLO-UHFFFAOYSA-N -1 3 382.395 3.627 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC001192322978 870287944 /nfs/dbraw/zinc/28/79/44/870287944.db2.gz VEYWNTFVPFUJTI-SFHVURJKSA-N -1 3 386.879 3.656 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NC[C@H]2CCC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC001192335036 870296700 /nfs/dbraw/zinc/29/67/00/870296700.db2.gz BWYVUSVYRKBJQD-GOSISDBHSA-N -1 3 394.515 3.858 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC001192354976 870313796 /nfs/dbraw/zinc/31/37/96/870313796.db2.gz DFHARLRIKTZIJZ-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001192440009 870400345 /nfs/dbraw/zinc/40/03/45/870400345.db2.gz CHUBJFBKIATUCS-GFCCVEGCSA-N -1 3 396.734 3.586 20 0 GHADHM O=C([N-]c1ncnc2c1cnn2-c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC001192449109 870410254 /nfs/dbraw/zinc/41/02/54/870410254.db2.gz ACYGWHGIZYOTIQ-UHFFFAOYSA-N -1 3 390.350 3.543 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3SCCc4ccccc43)cc2)n1 ZINC000173827157 882408238 /nfs/dbraw/zinc/40/82/38/882408238.db2.gz BEIFWLIZSDXODQ-LJQANCHMSA-N -1 3 377.469 3.714 20 0 GHADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446823769 870474716 /nfs/dbraw/zinc/47/47/16/870474716.db2.gz PBUILGLQUYTVEY-UHFFFAOYSA-N -1 3 388.251 3.961 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC=Cc4ccccc43)nc(=O)c2c1C ZINC000191290502 882411314 /nfs/dbraw/zinc/41/13/14/882411314.db2.gz QKMGPXSEQNPNTL-UHFFFAOYSA-N -1 3 381.457 3.503 20 0 GHADHM CCc1cccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1[O-] ZINC000538743378 870538193 /nfs/dbraw/zinc/53/81/93/870538193.db2.gz ZPXTZEQSMGWQIX-UHFFFAOYSA-N -1 3 379.391 3.993 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc([Si](C)(C)C)cc2)sc1Cl ZINC001192652103 870559306 /nfs/dbraw/zinc/55/93/06/870559306.db2.gz KBTHIPOEOWCIIN-UHFFFAOYSA-N -1 3 388.030 3.776 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(Cl)cc(Cl)n1 ZINC000181251345 870567070 /nfs/dbraw/zinc/56/70/70/870567070.db2.gz OWLBCVDPRRUELE-UHFFFAOYSA-N -1 3 382.638 3.934 20 0 GHADHM C[C@@](CO)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000391061616 870644766 /nfs/dbraw/zinc/64/47/66/870644766.db2.gz HWVLUPNLEYXZJU-HNNXBMFYSA-N -1 3 394.707 3.833 20 0 GHADHM CN(C)Cc1cccc(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)c1 ZINC000737953105 870711817 /nfs/dbraw/zinc/71/18/17/870711817.db2.gz BQOBBBOVLKVNLN-QFIPXVFZSA-N -1 3 394.515 3.859 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1 ZINC000540293868 870962358 /nfs/dbraw/zinc/96/23/58/870962358.db2.gz XVFJSISWCYPZCC-UHFFFAOYSA-N -1 3 391.489 3.500 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(Cl)c(OC)c1F)OCC ZINC001212583706 871054717 /nfs/dbraw/zinc/05/47/17/871054717.db2.gz VBIJXOCJFUIWFQ-UHFFFAOYSA-N -1 3 385.823 3.669 20 0 GHADHM COc1ccnc(C(=O)N2CC[C@@H](OCc3ccc(Cl)cc3Cl)C2)c1[O-] ZINC001193528003 871160206 /nfs/dbraw/zinc/16/02/06/871160206.db2.gz ITNDJQGIVANJPK-CYBMUJFWSA-N -1 3 397.258 3.534 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001169074551 871166136 /nfs/dbraw/zinc/16/61/36/871166136.db2.gz KLUCOSZXPKCZAT-UHFFFAOYSA-N -1 3 398.850 3.997 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2sc(C(F)(F)F)nc2C)n[nH]1 ZINC000461900260 871189238 /nfs/dbraw/zinc/18/92/38/871189238.db2.gz GSWAPCFTWYERBV-UHFFFAOYSA-N -1 3 383.355 3.516 20 0 GHADHM CN(C(=O)c1ccc([O-])cc1C(F)(F)F)c1ncc(C(F)(F)F)cc1N ZINC001193732681 871250067 /nfs/dbraw/zinc/25/00/67/871250067.db2.gz AGFLJXREHKLFGC-UHFFFAOYSA-N -1 3 379.260 3.684 20 0 GHADHM Cc1cc(NC(=O)c2ccc([O-])cc2C(F)(F)F)n(CC2CCOCC2)n1 ZINC001193735280 871253711 /nfs/dbraw/zinc/25/37/11/871253711.db2.gz MOXLDMRALZTFAX-UHFFFAOYSA-N -1 3 383.370 3.595 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(F)cc(Br)c1 ZINC001193792972 871286506 /nfs/dbraw/zinc/28/65/06/871286506.db2.gz PHLVRHPYQDWZLX-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1c(C)cc(O)cc1[O-] ZINC001193928439 871373188 /nfs/dbraw/zinc/37/31/88/871373188.db2.gz CLROKZSYCCVWCC-ZWKOTPCHSA-N -1 3 383.444 3.705 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc(-c2cccs2)cc1 ZINC001194160514 871518386 /nfs/dbraw/zinc/51/83/86/871518386.db2.gz KXDBSXAQQGWCAO-UHFFFAOYSA-N -1 3 382.470 3.797 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1Br ZINC000525870478 871575107 /nfs/dbraw/zinc/57/51/07/871575107.db2.gz ILSVXDGOCNVKMN-UHFFFAOYSA-N -1 3 396.093 3.682 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c([O-])c1 ZINC000618452263 871638172 /nfs/dbraw/zinc/63/81/72/871638172.db2.gz IUBFLQHYVHTLFX-AZUAARDMSA-N -1 3 383.488 3.809 20 0 GHADHM Cc1cc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1Cl ZINC000462129296 871643367 /nfs/dbraw/zinc/64/33/67/871643367.db2.gz JQHZLSCAJIJNNB-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001194392026 871667981 /nfs/dbraw/zinc/66/79/81/871667981.db2.gz USEXVGKAMYFPQF-CQSZACIVSA-N -1 3 395.443 3.665 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCCC3)cc12 ZINC001194393668 871669668 /nfs/dbraw/zinc/66/96/68/871669668.db2.gz LUTHNOISZBVFAG-UHFFFAOYSA-N -1 3 394.802 3.747 20 0 GHADHM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N-]OCC(F)(F)F ZINC000766768304 871695361 /nfs/dbraw/zinc/69/53/61/871695361.db2.gz QIEQOTOBPQKXTR-UHFFFAOYSA-N -1 3 392.333 3.838 20 0 GHADHM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001194553962 871786611 /nfs/dbraw/zinc/78/66/11/871786611.db2.gz KFUGKVIDGKFQLU-XOYHFGRZSA-N -1 3 398.937 3.699 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1OC(F)(F)F ZINC000539371502 871809283 /nfs/dbraw/zinc/80/92/83/871809283.db2.gz XNZKUEVKSWCGSU-UHFFFAOYSA-N -1 3 390.155 3.983 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Oc1ccc(Br)cc1 ZINC001194599411 871826251 /nfs/dbraw/zinc/82/62/51/871826251.db2.gz DJWRWTILTVMLBU-UHFFFAOYSA-N -1 3 384.157 3.691 20 0 GHADHM Cc1ccc(OCc2noc(-c3ccnc(NCc4ncccc4[O-])c3)n2)cc1 ZINC001169733204 871829780 /nfs/dbraw/zinc/82/97/80/871829780.db2.gz QOVQOUYHVPFHSC-UHFFFAOYSA-N -1 3 389.415 3.732 20 0 GHADHM CCOC(=O)Nc1c2cc(NCc3ncccc3[O-])ccc2oc1C(=O)OCC ZINC001169736868 871832834 /nfs/dbraw/zinc/83/28/34/871832834.db2.gz JZPLXTUQDYPIJT-UHFFFAOYSA-N -1 3 399.403 3.891 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(F)c1F ZINC000133894456 882553974 /nfs/dbraw/zinc/55/39/74/882553974.db2.gz BVHMWGVBLMPNEI-SECBINFHSA-N -1 3 385.208 3.993 20 0 GHADHM COc1cc(C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc(OC)c1[O-] ZINC000133905570 882560192 /nfs/dbraw/zinc/56/01/92/882560192.db2.gz ZKBXGBXTKCQEHR-KRWDZBQOSA-N -1 3 384.476 3.980 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175278145 882564243 /nfs/dbraw/zinc/56/42/43/882564243.db2.gz UGOZXGIBPXTZDY-NSHDSACASA-N -1 3 394.818 3.723 20 0 GHADHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1C ZINC001194863268 871994878 /nfs/dbraw/zinc/99/48/78/871994878.db2.gz DDICCKBRGQEMEA-UHFFFAOYSA-N -1 3 391.489 3.906 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1C ZINC001194864926 871997107 /nfs/dbraw/zinc/99/71/07/871997107.db2.gz UTYUJFBJTSOUAH-UHFFFAOYSA-N -1 3 385.489 3.666 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000618862238 872060996 /nfs/dbraw/zinc/06/09/96/872060996.db2.gz SMNVWMLZUKSELW-QGZVFWFLSA-N -1 3 376.453 3.545 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(cccc2NC([O-])=NO[C@H]2CCCCO2)C1 ZINC000775621646 872061684 /nfs/dbraw/zinc/06/16/84/872061684.db2.gz SZWUIDWIDQKSEK-KRWDZBQOSA-N -1 3 391.468 3.560 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000775621646 872061701 /nfs/dbraw/zinc/06/17/01/872061701.db2.gz SZWUIDWIDQKSEK-KRWDZBQOSA-N -1 3 391.468 3.560 20 0 GHADHM Cc1nc2cc(Cl)c(NC(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)cc2o1 ZINC001194981770 872084791 /nfs/dbraw/zinc/08/47/91/872084791.db2.gz NZIBIYTZSKXPRV-UHFFFAOYSA-N -1 3 397.815 3.553 20 0 GHADHM O=C([O-])c1cccc2c(CN3CCC(c4nc(C5CCC5)no4)CC3)ccnc12 ZINC000901544363 872086027 /nfs/dbraw/zinc/08/60/27/872086027.db2.gz PLNYPLFGYBRJSR-UHFFFAOYSA-N -1 3 392.459 3.963 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](CC)CC3CCCC3)c2)[n-]1 ZINC000447680187 872089019 /nfs/dbraw/zinc/08/90/19/872089019.db2.gz NFXAXOOHVIHSDW-KRWDZBQOSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](CC)CC3CCCC3)c2)n[n-]1 ZINC000447680187 872089044 /nfs/dbraw/zinc/08/90/44/872089044.db2.gz NFXAXOOHVIHSDW-KRWDZBQOSA-N -1 3 398.507 3.871 20 0 GHADHM CC1(C)CCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000526122533 872184661 /nfs/dbraw/zinc/18/46/61/872184661.db2.gz AQTPEOYFFUUZMS-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195127480 872188778 /nfs/dbraw/zinc/18/87/78/872188778.db2.gz FABFVYGVUKERQB-HNNXBMFYSA-N -1 3 387.867 3.691 20 0 GHADHM Cn1cc(-c2ccc(C3CCN(C(=O)c4ccc(Cl)[n-]c4=O)CC3)cc2)cn1 ZINC001195134940 872191761 /nfs/dbraw/zinc/19/17/61/872191761.db2.gz WADWNILKXULSDD-UHFFFAOYSA-N -1 3 396.878 3.861 20 0 GHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC001195134446 872191888 /nfs/dbraw/zinc/19/18/88/872191888.db2.gz JVJGOYAUDYWWEI-UHFFFAOYSA-N -1 3 375.787 3.741 20 0 GHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001195134939 872192228 /nfs/dbraw/zinc/19/22/28/872192228.db2.gz VZBVXMJKBVIJTA-LBPRGKRZSA-N -1 3 384.785 3.920 20 0 GHADHM O=C([N-]c1nc(C2CCC2)cs1)c1sccc1S(=O)(=O)C(F)F ZINC000767104393 872242917 /nfs/dbraw/zinc/24/29/17/872242917.db2.gz VVZHNZSAGXWLOG-UHFFFAOYSA-N -1 3 378.447 3.721 20 0 GHADHM COc1nccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1Cl ZINC001195197267 872250152 /nfs/dbraw/zinc/25/01/52/872250152.db2.gz SXNIMMIZKMAYFV-UHFFFAOYSA-N -1 3 378.812 3.657 20 0 GHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCCCCC1 ZINC001195207447 872256894 /nfs/dbraw/zinc/25/68/94/872256894.db2.gz JRVHTEWHCPGYJC-CYBMUJFWSA-N -1 3 391.892 3.517 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1c(F)cccc1Cl ZINC000463667173 872293329 /nfs/dbraw/zinc/29/33/29/872293329.db2.gz GOGYEVAFGHOJLQ-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1C ZINC000447791533 872305790 /nfs/dbraw/zinc/30/57/90/872305790.db2.gz KTHJTJFPHOHEPH-UHFFFAOYSA-N -1 3 375.368 3.853 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C[C@H]1CCCC2(CCC2)O1)C(F)(F)F ZINC001195307523 872327498 /nfs/dbraw/zinc/32/74/98/872327498.db2.gz RVGJOKGMFPDTMK-JKSUJKDBSA-N -1 3 382.426 3.588 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000619134049 872332807 /nfs/dbraw/zinc/33/28/07/872332807.db2.gz KFWPSEJMPAMIBQ-VXGBXAGGSA-N -1 3 377.282 3.941 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)c1[O-] ZINC000552286734 872353159 /nfs/dbraw/zinc/35/31/59/872353159.db2.gz XYCCSVTYZGYUHQ-UHFFFAOYSA-N -1 3 376.412 3.750 20 0 GHADHM CC1(C)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000527026639 872531490 /nfs/dbraw/zinc/53/14/90/872531490.db2.gz WSVBESRBOVYOOQ-XMMPIXPASA-N -1 3 395.499 3.588 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(F)cc1C(F)(F)F ZINC000121411479 872591534 /nfs/dbraw/zinc/59/15/34/872591534.db2.gz RQVAQABXFCQNJQ-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000540951983 872602378 /nfs/dbraw/zinc/60/23/78/872602378.db2.gz GRUDGCMZRUZPHM-CQSZACIVSA-N -1 3 384.386 3.896 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)[n-]n1 ZINC000540975958 872635814 /nfs/dbraw/zinc/63/58/14/872635814.db2.gz ASAMQAAQKXUNPT-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[n-]1 ZINC000540975958 872635820 /nfs/dbraw/zinc/63/58/20/872635820.db2.gz ASAMQAAQKXUNPT-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447998139 872668555 /nfs/dbraw/zinc/66/85/55/872668555.db2.gz GIFOXGYTXUSELU-XJKSGUPXSA-N -1 3 399.545 3.646 20 0 GHADHM CCOC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC001195795486 872669162 /nfs/dbraw/zinc/66/91/62/872669162.db2.gz CAFHOZURYFEASI-UHFFFAOYSA-N -1 3 390.244 3.677 20 0 GHADHM O=S(=O)(Nc1cc(F)cc(Br)c1Cl)c1ccc([O-])cc1 ZINC001195805856 872677108 /nfs/dbraw/zinc/67/71/08/872677108.db2.gz ILAQYHHGKODWPH-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129373549 872692630 /nfs/dbraw/zinc/69/26/30/872692630.db2.gz SZZDOFBZNRPURX-PXNSSMCTSA-N -1 3 398.469 3.809 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)cc2)n1 ZINC000176179193 882642092 /nfs/dbraw/zinc/64/20/92/882642092.db2.gz CCETVUGWHDYDHV-UHFFFAOYSA-N -1 3 398.422 3.557 20 0 GHADHM COc1ccc(C[C@H](C)CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)cc1 ZINC000121438311 872752461 /nfs/dbraw/zinc/75/24/61/872752461.db2.gz NWOIDAGRTAWEAH-HNNXBMFYSA-N -1 3 383.521 3.779 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000191879463 882653576 /nfs/dbraw/zinc/65/35/76/882653576.db2.gz HLKAIQOZFKIKPF-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CC(C)(C)Cc1ccccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129379785 872932322 /nfs/dbraw/zinc/93/23/22/872932322.db2.gz RAAGFNZPHPFLLQ-CQSZACIVSA-N -1 3 384.442 3.806 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC001196272210 872981607 /nfs/dbraw/zinc/98/16/07/872981607.db2.gz BIJRZIPYXVBZPJ-KRWDZBQOSA-N -1 3 398.887 3.710 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1 ZINC000508125352 873001821 /nfs/dbraw/zinc/00/18/21/873001821.db2.gz OAMLNWVNDXSNTE-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(Br)c3)CC2)c1 ZINC000122722927 882675818 /nfs/dbraw/zinc/67/58/18/882675818.db2.gz FEQNFSRQCXIRNV-UHFFFAOYSA-N -1 3 389.249 3.532 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(F)(F)CC1 ZINC000794294916 882676124 /nfs/dbraw/zinc/67/61/24/882676124.db2.gz FZSYPQZCVGNGHL-GOSISDBHSA-N -1 3 388.414 3.511 20 0 GHADHM O=S(=O)([N-]Cc1ccc2sccc2c1)c1cccc(Br)n1 ZINC001196326659 873032652 /nfs/dbraw/zinc/03/26/52/873032652.db2.gz GAONHGVHAUNIMZ-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)[n-]1 ZINC000191963506 882686082 /nfs/dbraw/zinc/68/60/82/882686082.db2.gz UKQYYPJSHROVET-UHFFFAOYSA-N -1 3 384.230 3.537 20 0 GHADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196434527 873084808 /nfs/dbraw/zinc/08/48/08/873084808.db2.gz DRYJQJFASQKALS-UHFFFAOYSA-N -1 3 378.812 3.532 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196422408 873106313 /nfs/dbraw/zinc/10/63/13/873106313.db2.gz TZQMALPEWQMKKL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(I)c2)c2ccccc21 ZINC001196428663 873109283 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CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000775748359 873421006 /nfs/dbraw/zinc/42/10/06/873421006.db2.gz WIXHHJZGIPBQRS-LKFCYVNXSA-N -1 3 393.267 3.582 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)=O)cc(C(C)=O)c2)c(C)c1 ZINC001196887857 873430058 /nfs/dbraw/zinc/43/00/58/873430058.db2.gz KYTJJGKUAMIQNT-UHFFFAOYSA-N -1 3 375.446 3.518 20 0 GHADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc([O-])cc(Br)c1 ZINC000527731968 873508608 /nfs/dbraw/zinc/50/86/08/873508608.db2.gz YYHXQNUKFPNYQG-UHFFFAOYSA-N -1 3 394.265 3.834 20 0 GHADHM CCN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001197096753 873566284 /nfs/dbraw/zinc/56/62/84/873566284.db2.gz KKQGXYJNCJFELE-IBGZPJMESA-N -1 3 383.517 3.678 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C[C@H](O)c2cccc(F)c2)c2ccccc21)C(F)(F)F ZINC001197060170 873569139 /nfs/dbraw/zinc/56/91/39/873569139.db2.gz QBNPEVGPKLAZQZ-KDOFPFPSSA-N -1 3 396.384 3.532 20 0 GHADHM Cc1ncc(CNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c(=O)[n-]1 ZINC000541456841 873641670 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GHADHM CCOC(=O)c1cncc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197718087 873972529 /nfs/dbraw/zinc/97/25/29/873972529.db2.gz XFJDAOLPFFVFQH-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c(Br)c1 ZINC001198045783 874175259 /nfs/dbraw/zinc/17/52/59/874175259.db2.gz MWFUCEMESWZYSR-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](c2ccccc2)O1 ZINC000528193573 874197460 /nfs/dbraw/zinc/19/74/60/874197460.db2.gz RMTWJLUAGWPKIL-YVEFUNNKSA-N -1 3 376.250 3.757 20 0 GHADHM COC(=O)CCSCc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448916389 874205543 /nfs/dbraw/zinc/20/55/43/874205543.db2.gz WKLRVBYVAMOXGE-UHFFFAOYSA-N -1 3 377.437 3.509 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2sc(C)cc2Br)s1 ZINC000541812898 874305047 /nfs/dbraw/zinc/30/50/47/874305047.db2.gz OXHMDEWETDWIPE-ZETCQYMHSA-N -1 3 395.369 3.666 20 0 GHADHM Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000104365510 874339020 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GHADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccsc1 ZINC000669918536 874526435 /nfs/dbraw/zinc/52/64/35/874526435.db2.gz JDYHGLRJNHGZAZ-SECBINFHSA-N -1 3 377.263 3.843 20 0 GHADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)OC)c1 ZINC000528449654 874596568 /nfs/dbraw/zinc/59/65/68/874596568.db2.gz PIZVSMOYQPCVQP-OAHLLOKOSA-N -1 3 390.288 3.668 20 0 GHADHM CCC[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000449233420 874622570 /nfs/dbraw/zinc/62/25/70/874622570.db2.gz LNKXFKXAEBYREV-KRWDZBQOSA-N -1 3 394.468 3.689 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)c([O-])c1 ZINC000770870761 874902276 /nfs/dbraw/zinc/90/22/76/874902276.db2.gz WUPDKQRFJTWFJB-UHFFFAOYSA-N -1 3 380.400 3.686 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)c(C)c1C ZINC000542093665 874934307 /nfs/dbraw/zinc/93/43/07/874934307.db2.gz UAPFDDQLOMDWJL-UHFFFAOYSA-N -1 3 384.505 3.825 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000542174461 875087805 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382.395 3.530 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccc1F ZINC001201059751 875467153 /nfs/dbraw/zinc/46/71/53/875467153.db2.gz SBTIGAHLSVGWBG-UHFFFAOYSA-N -1 3 390.249 3.941 20 0 GHADHM Cc1ncc(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(=O)[n-]1 ZINC000542388592 875490486 /nfs/dbraw/zinc/49/04/86/875490486.db2.gz QETRDTWNNRLDBJ-UHFFFAOYSA-N -1 3 382.470 3.759 20 0 GHADHM COCc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(Br)c2)o1 ZINC000529049324 875508930 /nfs/dbraw/zinc/50/89/30/875508930.db2.gz MEJURPPOSMPMQO-HNNXBMFYSA-N -1 3 380.238 3.871 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)n1 ZINC000542462370 875587683 /nfs/dbraw/zinc/58/76/83/875587683.db2.gz YXTMZXYQLVDYBB-IYBDPMFKSA-N -1 3 397.475 3.516 20 0 GHADHM COc1cc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC000746521687 875622636 /nfs/dbraw/zinc/62/26/36/875622636.db2.gz DTFCECJCOQAYGU-UHFFFAOYSA-N -1 3 383.366 3.903 20 0 GHADHM CCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H](O)c1ccccc1 ZINC000529225114 875858048 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Cc1ccc2[n-]cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)c(=O)c2c1 ZINC000491902562 876019128 /nfs/dbraw/zinc/01/91/28/876019128.db2.gz SUGPBVKWPAZKKR-UHFFFAOYSA-N -1 3 389.455 3.633 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H]1OCCc2sccc21 ZINC000529416856 876113188 /nfs/dbraw/zinc/11/31/88/876113188.db2.gz QKOVYVOSFIWNBG-VFZGTOFNSA-N -1 3 382.279 3.649 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000179445126 882998830 /nfs/dbraw/zinc/99/88/30/882998830.db2.gz DDGKSWFBNLODML-GOSISDBHSA-N -1 3 383.448 3.736 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)s1 ZINC000921429777 883000195 /nfs/dbraw/zinc/00/01/95/883000195.db2.gz DOQALWJPKPNBCC-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000123061246 883005137 /nfs/dbraw/zinc/00/51/37/883005137.db2.gz CBBDYXZYCHWNQC-UHFFFAOYSA-N -1 3 381.432 3.523 20 0 GHADHM O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1cc([O-])cc(Br)c1 ZINC000529517517 876259744 /nfs/dbraw/zinc/25/97/44/876259744.db2.gz HNSINVLBDHFUPT-OAHLLOKOSA-N -1 3 396.306 3.850 20 0 GHADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000537657423 883024074 /nfs/dbraw/zinc/02/40/74/883024074.db2.gz XCZVPXJCWZKCJD-UHFFFAOYSA-N -1 3 391.892 3.658 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)c1cc2occc2[n-]1 ZINC000786028990 876416772 /nfs/dbraw/zinc/41/67/72/876416772.db2.gz AZVNNYXAFYMYOY-OAHLLOKOSA-N -1 3 381.306 3.721 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786032520 876418372 /nfs/dbraw/zinc/41/83/72/876418372.db2.gz CPOTXDKNEUOKNU-UHFFFAOYSA-N -1 3 381.215 3.883 20 0 GHADHM COc1ccc(-c2ncc(C(=O)[N-]c3sccc3S(C)(=O)=O)s2)cc1 ZINC000173559212 876470902 /nfs/dbraw/zinc/47/09/02/876470902.db2.gz PPVFNXHKMILCLN-UHFFFAOYSA-N -1 3 394.499 3.536 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1cccnc1Cl ZINC000786139900 876503871 /nfs/dbraw/zinc/50/38/71/876503871.db2.gz KKHIFVNFGWSPDY-SECBINFHSA-N -1 3 376.821 3.839 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)cc1 ZINC000007109502 876528048 /nfs/dbraw/zinc/52/80/48/876528048.db2.gz ZAVBJJVPMJFMFD-QGZVFWFLSA-N -1 3 387.549 3.753 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)cc1 ZINC000007109503 876528459 /nfs/dbraw/zinc/52/84/59/876528459.db2.gz ZAVBJJVPMJFMFD-KRWDZBQOSA-N -1 3 387.549 3.753 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000786913733 877024441 /nfs/dbraw/zinc/02/44/41/877024441.db2.gz KPZSHAXDJYCCAI-UHFFFAOYSA-N -1 3 394.487 3.712 20 0 GHADHM Cc1ccc(C)c([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c1 ZINC000850575864 877042456 /nfs/dbraw/zinc/04/24/56/877042456.db2.gz DHUJOBDTWGSNRL-HNNXBMFYSA-N -1 3 386.496 3.675 20 0 GHADHM Cc1ccc2c(c1)[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)CCC2 ZINC000850576951 877047762 /nfs/dbraw/zinc/04/77/62/877047762.db2.gz URJLYXZZJLPJCO-GOSISDBHSA-N -1 3 398.507 3.683 20 0 GHADHM COc1cc(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)cc(OC)c1[O-] ZINC000530083595 877082105 /nfs/dbraw/zinc/08/21/05/877082105.db2.gz YTKDPOSTGHCJJZ-UHFFFAOYSA-N -1 3 381.350 3.627 20 0 GHADHM O=c1nc(NC2CCN(Cc3ccc(Br)cc3)CC2)cc(Cl)[n-]1 ZINC000858448300 883103583 /nfs/dbraw/zinc/10/35/83/883103583.db2.gz YXFLYFCVOFRIRX-UHFFFAOYSA-N -1 3 397.704 3.675 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000450983719 877190727 /nfs/dbraw/zinc/19/07/27/877190727.db2.gz ZJSALZFKNAMGKO-INIZCTEOSA-N -1 3 389.395 3.757 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000530284940 877410097 /nfs/dbraw/zinc/41/00/97/877410097.db2.gz GGSKJQDVBHWHQZ-UHFFFAOYSA-N -1 3 385.844 3.893 20 0 GHADHM O=C(OC/C=C\c1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787639604 877526700 /nfs/dbraw/zinc/52/67/00/877526700.db2.gz FAPRHVNCVKFNAJ-PYTPGESOSA-N -1 3 385.847 3.907 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000615282855 877592617 /nfs/dbraw/zinc/59/26/17/877592617.db2.gz URMWFIMIGAOTJL-SCZZXKLOSA-N -1 3 376.297 3.706 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000109929329 877627591 /nfs/dbraw/zinc/62/75/91/877627591.db2.gz LIAHTRPKEHEYJA-UHFFFAOYSA-N -1 3 390.468 3.553 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842482 877659006 /nfs/dbraw/zinc/65/90/06/877659006.db2.gz FBENCAKNRFWAQC-HZPDHXFCSA-N -1 3 387.451 3.972 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000787848095 877667659 /nfs/dbraw/zinc/66/76/59/877667659.db2.gz KXIZGNSTBMHARY-CYBMUJFWSA-N -1 3 377.387 3.872 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000787847137 877668463 /nfs/dbraw/zinc/66/84/63/877668463.db2.gz XZXBMCCUXPYOOH-FUHWJXTLSA-N -1 3 377.456 3.578 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(Br)n1 ZINC000179653877 877828350 /nfs/dbraw/zinc/82/83/50/877828350.db2.gz QTVXGQCDFAVYFG-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000068071630 877858205 /nfs/dbraw/zinc/85/82/05/877858205.db2.gz RBGYYQKHZPMLLA-UHFFFAOYSA-N -1 3 379.398 3.521 20 0 GHADHM Cc1cc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)nc(C(C)C)n1 ZINC000788267959 877985467 /nfs/dbraw/zinc/98/54/67/877985467.db2.gz QWHRDCIQTCSZHI-UHFFFAOYSA-N -1 3 396.516 3.791 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(OCc2ccccc2)CC1 ZINC000477636358 877987756 /nfs/dbraw/zinc/98/77/56/877987756.db2.gz IQIRXYBLIOPMID-UHFFFAOYSA-N -1 3 398.409 3.628 20 0 GHADHM O=C([N-]c1cscc1Br)c1nnn(C2CC2)c1C(F)(F)F ZINC000615730943 878050720 /nfs/dbraw/zinc/05/07/20/878050720.db2.gz GIPPZDYDUUEYCN-UHFFFAOYSA-N -1 3 381.177 3.708 20 0 GHADHM Cc1cnn(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2F)c1 ZINC000152539217 878080744 /nfs/dbraw/zinc/08/07/44/878080744.db2.gz PJMAIDZSJUPPBY-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1cccc(Cl)c1 ZINC000179875502 878134755 /nfs/dbraw/zinc/13/47/55/878134755.db2.gz TWQKZKNDOZOQGB-KRWDZBQOSA-N -1 3 378.819 3.795 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000530728934 878358244 /nfs/dbraw/zinc/35/82/44/878358244.db2.gz SRMBISNFMZCFEO-JXFKEZNVSA-N -1 3 384.480 3.730 20 0 GHADHM O=C([N-][C@H]1CN(CC2CC(F)(F)C2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC000852498249 878376590 /nfs/dbraw/zinc/37/65/90/878376590.db2.gz BQVPYDOGSOGMLU-GJZGRUSLSA-N -1 3 394.359 3.707 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2ccc(F)cc2)sc1Cl ZINC000788904884 878442194 /nfs/dbraw/zinc/44/21/94/878442194.db2.gz YUVOPOUMGWLDCL-MFKMUULPSA-N -1 3 377.890 3.640 20 0 GHADHM O=c1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000852598775 878453106 /nfs/dbraw/zinc/45/31/06/878453106.db2.gz YUMIHLSUDMTCSC-ACJLOTCBSA-N -1 3 377.868 3.933 20 0 GHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C2CC2)no1 ZINC000645731665 878501046 /nfs/dbraw/zinc/50/10/46/878501046.db2.gz XDFBTTREHNGLGC-KRWDZBQOSA-N -1 3 377.491 3.505 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000177051720 878540403 /nfs/dbraw/zinc/54/04/03/878540403.db2.gz GCBRXSIRJYCART-NEPJUHHUSA-N -1 3 385.851 3.880 20 0 GHADHM COC(=O)CN(Cc1cn(C)nc1-c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000180156241 878573986 /nfs/dbraw/zinc/57/39/86/878573986.db2.gz DTXQTZHOOIDEFP-UHFFFAOYSA-N -1 3 399.878 3.621 20 0 GHADHM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000460838675 878651533 /nfs/dbraw/zinc/65/15/33/878651533.db2.gz RYXLRQJFPHVMHE-UHFFFAOYSA-N -1 3 399.443 3.877 20 0 GHADHM CN(C(=O)c1ccc(Br)c([O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310509350 878715001 /nfs/dbraw/zinc/71/50/01/878715001.db2.gz LHQJEAKCWJDYJF-MRXNPFEDSA-N -1 3 389.293 3.501 20 0 GHADHM CCCn1nccc1C=C(C(=O)OCC)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000853002939 878746902 /nfs/dbraw/zinc/74/69/02/878746902.db2.gz ZBVIHHMRQOFSCX-UVTDQMKNSA-N -1 3 386.477 3.724 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC)Oc3ccccc3F)c2)n1 ZINC000177543457 878748269 /nfs/dbraw/zinc/74/82/69/878748269.db2.gz ACZOMOCNHKBLSU-SFHVURJKSA-N -1 3 395.434 3.935 20 0 GHADHM CCOC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCC1 ZINC000285671334 912385037 /nfs/dbraw/zinc/38/50/37/912385037.db2.gz NADALCQPNYJYFS-UHFFFAOYSA-N -1 3 394.899 3.572 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000538119514 878841513 /nfs/dbraw/zinc/84/15/13/878841513.db2.gz MRUJETHMJBXVAQ-GOEBONIOSA-N -1 3 390.263 3.941 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(C)C)c(OC)c2)s1 ZINC000460949205 878842993 /nfs/dbraw/zinc/84/29/93/878842993.db2.gz MDSPYQUGEYRBCW-LBPRGKRZSA-N -1 3 384.523 3.541 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(CN(C)C)c1 ZINC000461106419 879180844 /nfs/dbraw/zinc/18/08/44/879180844.db2.gz HYYYSSAJSMIMAA-UHFFFAOYSA-N -1 3 378.441 3.938 20 0 GHADHM COc1cc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)cc(OC)c1[O-] ZINC000616906475 879181264 /nfs/dbraw/zinc/18/12/64/879181264.db2.gz ZYWKJZXUQRTFKS-NRFANRHFSA-N -1 3 399.487 3.823 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000789759806 879240147 /nfs/dbraw/zinc/24/01/47/879240147.db2.gz WIWFDFWIXUFZRT-CQSZACIVSA-N -1 3 382.460 3.581 20 0 GHADHM O=S(=O)(/C=C/c1cccc(Br)c1)[N-]c1cnc(CC2CC2)nc1 ZINC000789739912 879256477 /nfs/dbraw/zinc/25/64/77/879256477.db2.gz YWBBYQHVLCCNJN-VOTSOKGWSA-N -1 3 394.294 3.604 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000853770701 879271966 /nfs/dbraw/zinc/27/19/66/879271966.db2.gz HEPUHOMREQLXMQ-QZTJIDSGSA-N -1 3 380.847 3.742 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000178956964 879296580 /nfs/dbraw/zinc/29/65/80/879296580.db2.gz RCWRHNIKASLACN-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c(F)cc1F ZINC000790051837 879429195 /nfs/dbraw/zinc/42/91/95/879429195.db2.gz AKXSICBQSAENQU-UHFFFAOYSA-N -1 3 393.415 3.524 20 0 GHADHM O=C([N-]CCCN(Cc1csc(Br)c1)C1CC1)C(F)(F)F ZINC000180894353 879462347 /nfs/dbraw/zinc/46/23/47/879462347.db2.gz SGLBJDJKOUWBNR-UHFFFAOYSA-N -1 3 385.249 3.544 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3CCCCCCC3)c2)[n-]1 ZINC000790160595 879498970 /nfs/dbraw/zinc/49/89/70/879498970.db2.gz SSKMLFSUHWAATR-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3CCCCCCC3)c2)n[n-]1 ZINC000790160595 879498977 /nfs/dbraw/zinc/49/89/77/879498977.db2.gz SSKMLFSUHWAATR-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000790270318 879581482 /nfs/dbraw/zinc/58/14/82/879581482.db2.gz JDGQZIOLADFPFD-RDJZCZTQSA-N -1 3 390.528 3.663 20 0 GHADHM O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c([O-])c1)c1ccccc1 ZINC001183398302 912479579 /nfs/dbraw/zinc/47/95/79/912479579.db2.gz DRXKEAZUCCIULU-IBGZPJMESA-N -1 3 396.393 3.650 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCN1Cc1ccccc1 ZINC000531394119 879730936 /nfs/dbraw/zinc/73/09/36/879730936.db2.gz WZHLTMUMDBUTFC-INIZCTEOSA-N -1 3 375.266 3.758 20 0 GHADHM C[C@H](NC1(CN=c2[n-]nc(-c3ccccc3)s2)CCOCC1)c1ccccc1 ZINC000531433619 879830304 /nfs/dbraw/zinc/83/03/04/879830304.db2.gz HPCVMYZQPASRLK-KRWDZBQOSA-N -1 3 394.544 3.939 20 0 GHADHM O=C1[N-]C(=O)/C(=C/NCc2cnc(-c3ccc(Cl)cc3)s2)c2ccccc21 ZINC000790575162 879861952 /nfs/dbraw/zinc/86/19/52/879861952.db2.gz PIRSRLFNVAJBMO-GZTJUZNOSA-N -1 3 395.871 3.864 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3c[nH]c4c3cccc4C)nc21 ZINC000494130423 879959076 /nfs/dbraw/zinc/95/90/76/879959076.db2.gz ILMPQDGVGNMUBU-UHFFFAOYSA-N -1 3 376.416 3.711 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000452747828 879968806 /nfs/dbraw/zinc/96/88/06/879968806.db2.gz IYHFZZQLLKXDKX-CYBMUJFWSA-N -1 3 375.266 3.928 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CCC(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000746946120 880035271 /nfs/dbraw/zinc/03/52/71/880035271.db2.gz QAQBAKDHMRIVPI-GOSISDBHSA-N -1 3 385.464 3.676 20 0 GHADHM CCc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)c1[O-] ZINC000791132852 880236500 /nfs/dbraw/zinc/23/65/00/880236500.db2.gz NYXKRFYWIBLPMX-OAQYLSRUSA-N -1 3 393.487 3.547 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2nc(Br)ccc2F)c(F)cc1C ZINC000791318789 880327335 /nfs/dbraw/zinc/32/73/35/880327335.db2.gz YTHVIOODOOPKFT-UHFFFAOYSA-N -1 3 399.191 3.860 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC000791323511 880331215 /nfs/dbraw/zinc/33/12/15/880331215.db2.gz RRKNGALSKWYHKT-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NCc3ncccc3[O-])ccc21 ZINC000791811575 880707810 /nfs/dbraw/zinc/70/78/10/880707810.db2.gz KKJBPNHDLLVHKA-UHFFFAOYSA-N -1 3 398.463 3.797 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Br)[n-]c1=O)c1ccc(F)c2ccccc21 ZINC001183509716 912606484 /nfs/dbraw/zinc/60/64/84/912606484.db2.gz SSGGLQDHXHRVKF-SECBINFHSA-N -1 3 390.212 3.567 20 0 GHADHM COc1ccc(-n2nnc(C(=O)[N-]c3c(C)noc3-c3ccccc3)c2C)cc1 ZINC000186728535 880970843 /nfs/dbraw/zinc/97/08/43/880970843.db2.gz QNHVZAFDOOUBPF-UHFFFAOYSA-N -1 3 389.415 3.800 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC001183563082 912631299 /nfs/dbraw/zinc/63/12/99/912631299.db2.gz RMBCPKGMDYPGHI-IRXDYDNUSA-N -1 3 397.475 3.767 20 0 GHADHM O=C(Cc1csc2ccc(Br)cc12)[N-]OCc1cccnc1 ZINC000792260933 881021228 /nfs/dbraw/zinc/02/12/28/881021228.db2.gz SKXXHRSSKIZLEZ-UHFFFAOYSA-N -1 3 377.263 3.849 20 0 GHADHM CC(C)(C)[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000119670079 881091465 /nfs/dbraw/zinc/09/14/65/881091465.db2.gz HDXLIRADCBSLIT-HXUWFJFHSA-N -1 3 395.503 3.647 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OCCC ZINC000119714156 881117303 /nfs/dbraw/zinc/11/73/03/881117303.db2.gz VMJAOMJIIJHKGD-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OCCC ZINC000119714156 881117307 /nfs/dbraw/zinc/11/73/07/881117307.db2.gz VMJAOMJIIJHKGD-UHFFFAOYSA-N -1 3 395.463 3.626 20 0 GHADHM Cc1ccc(CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C2CC2)o1 ZINC000640292005 881123312 /nfs/dbraw/zinc/12/33/12/881123312.db2.gz GQGUOIGFBSJNJZ-UHFFFAOYSA-N -1 3 376.766 3.619 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C(C)C ZINC000640291838 881155388 /nfs/dbraw/zinc/15/53/88/881155388.db2.gz FHEDICRUWRCJJM-LBPRGKRZSA-N -1 3 389.809 3.743 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)s1 ZINC000119890051 881202924 /nfs/dbraw/zinc/20/29/24/881202924.db2.gz LANHHOLPTPMWCK-UHFFFAOYSA-N -1 3 385.493 3.933 20 0 GHADHM O=C1N(C2CCCC2)CC[C@]12CCCN2Cc1cccc([O-])c1Br ZINC001275210834 912657213 /nfs/dbraw/zinc/65/72/13/912657213.db2.gz XAAHVUNFQXEQMA-LJQANCHMSA-N -1 3 393.325 3.664 20 0 GHADHM CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(F)c([O-])c2)CCc2ccccc21 ZINC001183640499 912686342 /nfs/dbraw/zinc/68/63/42/912686342.db2.gz DJBQNMXRGDXILJ-OAQYLSRUSA-N -1 3 386.423 3.836 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1F ZINC000476893226 883343875 /nfs/dbraw/zinc/34/38/75/883343875.db2.gz CLERXWGBTJWQSM-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccco1 ZINC000805039642 883553629 /nfs/dbraw/zinc/55/36/29/883553629.db2.gz INWDTABNXRPXOG-GOSISDBHSA-N -1 3 392.864 3.713 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000859047346 883557164 /nfs/dbraw/zinc/55/71/64/883557164.db2.gz SQLNMVWCLSGXQO-INIZCTEOSA-N -1 3 376.250 3.677 20 0 GHADHM C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000175317610 883602359 /nfs/dbraw/zinc/60/23/59/883602359.db2.gz XDHCYLVMCQYKSM-YLSINNKHSA-N -1 3 379.457 3.908 20 0 GHADHM CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000805288527 883744208 /nfs/dbraw/zinc/74/42/08/883744208.db2.gz RSRRETNRQIMMKG-CQSZACIVSA-N -1 3 376.478 3.690 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001183659512 912743740 /nfs/dbraw/zinc/74/37/40/912743740.db2.gz YRSCZHJTYMKVFE-OAQYLSRUSA-N -1 3 377.481 3.765 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032442217 883829902 /nfs/dbraw/zinc/82/99/02/883829902.db2.gz MNXJBAFOEOMEAI-ZDUSSCGKSA-N -1 3 399.472 3.583 20 0 GHADHM COc1cc2c(cc1OC)CN(Cc1cccc([O-])c1Br)CC2 ZINC000315230234 883839065 /nfs/dbraw/zinc/83/90/65/883839065.db2.gz GWCHAQBHBSVYII-UHFFFAOYSA-N -1 3 378.266 3.730 20 0 GHADHM CCO[C@H](COC(=O)c1n[n-]c(-c2ccccc2)c1Br)C1CC1 ZINC000859596788 883922133 /nfs/dbraw/zinc/92/21/33/883922133.db2.gz FLYWLOBAPTXNSR-CYBMUJFWSA-N -1 3 379.254 3.811 20 0 GHADHM COc1cc(C(=O)OCC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000859607951 883938862 /nfs/dbraw/zinc/93/88/62/883938862.db2.gz VCZDCHLYFFXIMD-CMPLNLGQSA-N -1 3 390.354 3.504 20 0 GHADHM CCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000102649106 884035154 /nfs/dbraw/zinc/03/51/54/884035154.db2.gz AZPCLASTIZQQFD-MRXNPFEDSA-N -1 3 381.398 3.606 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)c(C)c1 ZINC000012970378 884127726 /nfs/dbraw/zinc/12/77/26/884127726.db2.gz ZENBPPBEIKVSQX-UHFFFAOYSA-N -1 3 378.881 3.884 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C)cn4ccnc34)nc(=O)c2c1C ZINC000859933878 884183497 /nfs/dbraw/zinc/18/34/97/884183497.db2.gz LNSXVGNTQSDFLH-NSHDSACASA-N -1 3 382.445 3.888 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2)n1 ZINC000064342785 884228670 /nfs/dbraw/zinc/22/86/70/884228670.db2.gz URWNWGYFNWJSPZ-UHFFFAOYSA-N -1 3 375.215 3.699 20 0 GHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CC2(C)CCCCC2)n1 ZINC000476311145 884406840 /nfs/dbraw/zinc/40/68/40/884406840.db2.gz GAVPZTVUZFSQOU-AWEZNQCLSA-N -1 3 393.509 3.696 20 0 GHADHM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3(C)CCCCC3)n2)c1 ZINC000476314268 884410613 /nfs/dbraw/zinc/41/06/13/884410613.db2.gz NAKGZXYJPSDJAS-AWEZNQCLSA-N -1 3 393.509 3.696 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1C ZINC000032589653 884570109 /nfs/dbraw/zinc/57/01/09/884570109.db2.gz MOEZJIIPVQPWQS-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)OC)c1 ZINC000475828046 884573818 /nfs/dbraw/zinc/57/38/18/884573818.db2.gz JJAOOHOXIONFAJ-UHFFFAOYSA-N -1 3 395.864 3.829 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cc(C)cc(C)c1 ZINC000914725919 884617901 /nfs/dbraw/zinc/61/79/01/884617901.db2.gz ZATKKACWHFXRLZ-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898208067 884631565 /nfs/dbraw/zinc/63/15/65/884631565.db2.gz XNVSAADWUVYHPL-SNVBAGLBSA-N -1 3 390.237 3.562 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000465472804 884675921 /nfs/dbraw/zinc/67/59/21/884675921.db2.gz QPDGBMXLPVRZOW-NSHDSACASA-N -1 3 395.406 3.638 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000032627344 884797228 /nfs/dbraw/zinc/79/72/28/884797228.db2.gz UAKVAADNCDPGCI-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000032627344 884797256 /nfs/dbraw/zinc/79/72/56/884797256.db2.gz UAKVAADNCDPGCI-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM Cc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)n1[C@@H]1CCOC1 ZINC000860569183 884813071 /nfs/dbraw/zinc/81/30/71/884813071.db2.gz NVPUJPSETZWLCO-QGZVFWFLSA-N -1 3 393.443 3.757 20 0 GHADHM CC(C)(C)[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1cccs1 ZINC000919061932 884830956 /nfs/dbraw/zinc/83/09/56/884830956.db2.gz YYZQAVHGWGRIMT-QGZVFWFLSA-N -1 3 387.461 3.792 20 0 GHADHM CC(C)(C)[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1cccs1 ZINC000919061932 884830970 /nfs/dbraw/zinc/83/09/70/884830970.db2.gz YYZQAVHGWGRIMT-QGZVFWFLSA-N -1 3 387.461 3.792 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(NCc3ccccc3)nc3ccccc32)n1 ZINC001183877948 912868004 /nfs/dbraw/zinc/86/80/04/912868004.db2.gz BTEQYULQWDSSRC-UHFFFAOYSA-N -1 3 399.454 3.581 20 0 GHADHM CN(C)Cc1cccc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)c1 ZINC000914845481 884945290 /nfs/dbraw/zinc/94/52/90/884945290.db2.gz UNBYSXCCRBCEDU-UHFFFAOYSA-N -1 3 397.500 3.525 20 0 GHADHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000914846032 884950441 /nfs/dbraw/zinc/95/04/41/884950441.db2.gz OJYDHJIPNFZQMZ-FLIBITNWSA-N -1 3 389.473 3.689 20 0 GHADHM Cc1cc(NC(=O)c2cc([O-])cc(Br)c2)ccc1N1CCOCC1 ZINC000860734854 884956305 /nfs/dbraw/zinc/95/63/05/884956305.db2.gz YMLRZDOZLPTKEI-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000795852204 912911038 /nfs/dbraw/zinc/91/10/38/912911038.db2.gz JIBKQMUIFDOEAD-OAHLLOKOSA-N -1 3 393.814 3.545 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000747379179 885325124 /nfs/dbraw/zinc/32/51/24/885325124.db2.gz UIVQHQPWKKIKSU-KGLIPLIRSA-N -1 3 390.281 3.662 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919326769 885337894 /nfs/dbraw/zinc/33/78/94/885337894.db2.gz DCENKERYZMRKSP-HUUCEWRRSA-N -1 3 395.459 3.963 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919326769 885337913 /nfs/dbraw/zinc/33/79/13/885337913.db2.gz DCENKERYZMRKSP-HUUCEWRRSA-N -1 3 395.459 3.963 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C(=O)N4CCCCC4)c3)n[n-]2)o1 ZINC000919329063 885345691 /nfs/dbraw/zinc/34/56/91/885345691.db2.gz UHYDGHKULHPUDK-UHFFFAOYSA-N -1 3 393.443 3.961 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C(=O)N4CCCCC4)c3)[n-]n2)o1 ZINC000919329063 885345713 /nfs/dbraw/zinc/34/57/13/885345713.db2.gz UHYDGHKULHPUDK-UHFFFAOYSA-N -1 3 393.443 3.961 20 0 GHADHM CC(C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cc1 ZINC000053510986 885357121 /nfs/dbraw/zinc/35/71/21/885357121.db2.gz FSMSXWNKOKSRNH-UHFFFAOYSA-N -1 3 385.261 3.956 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2cc(I)ccc2[O-])n1 ZINC000610913361 885493366 /nfs/dbraw/zinc/49/33/66/885493366.db2.gz OKEUUEVQDJJWRP-UHFFFAOYSA-N -1 3 399.232 3.807 20 0 GHADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104735071 885592640 /nfs/dbraw/zinc/59/26/40/885592640.db2.gz PPWWONBKLMVBQM-FZMZJTMJSA-N -1 3 376.881 3.685 20 0 GHADHM C[C@@H](Oc1ccccc1NC(=O)c1nnc2ccccc2c1[O-])C(F)(F)F ZINC000807745338 885677221 /nfs/dbraw/zinc/67/72/21/885677221.db2.gz MEQGFMIZBSXGNC-SNVBAGLBSA-N -1 3 377.322 3.917 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807789267 885747454 /nfs/dbraw/zinc/74/74/54/885747454.db2.gz JBQNZTCFUDUTEY-QGZVFWFLSA-N -1 3 385.357 3.723 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1C(C)C ZINC000808126199 886003445 /nfs/dbraw/zinc/00/34/45/886003445.db2.gz VHWWYIDNXXDOLW-UHFFFAOYSA-N -1 3 375.446 3.598 20 0 GHADHM O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1ncccc1[O-] ZINC000055133916 886006930 /nfs/dbraw/zinc/00/69/30/886006930.db2.gz SIXKKFMLEFZOGY-UHFFFAOYSA-N -1 3 387.395 3.967 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3cc(Cl)n4nc(C)cc4n3)on2)c1 ZINC001131225879 886188478 /nfs/dbraw/zinc/18/84/78/886188478.db2.gz MXMHHKGMURPHLW-UHFFFAOYSA-N -1 3 383.795 3.607 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC[C@H](c2ccccc2)O1)c1cnc(Cl)c(Cl)c1 ZINC000808349344 886270412 /nfs/dbraw/zinc/27/04/12/886270412.db2.gz PHFNJYURRZNYAT-IUODEOHRSA-N -1 3 387.288 3.587 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000762583909 886461802 /nfs/dbraw/zinc/46/18/02/886461802.db2.gz PRWRKULPOOLPPO-PBHICJAKSA-N -1 3 394.487 3.616 20 0 GHADHM CC1(c2nsc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)n2)CC1 ZINC000862611251 886493049 /nfs/dbraw/zinc/49/30/49/886493049.db2.gz OTROUCHIUVUPMH-UHFFFAOYSA-N -1 3 382.445 3.527 20 0 GHADHM CC(=O)Nc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc(C(F)(F)F)c1 ZINC000556892033 886522238 /nfs/dbraw/zinc/52/22/38/886522238.db2.gz GMHPUFCBEKHJFH-UHFFFAOYSA-N -1 3 380.322 3.824 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc(OC)c1[O-] ZINC000762621672 886554782 /nfs/dbraw/zinc/55/47/82/886554782.db2.gz IYMYGXJJJMIIIP-HOTGVXAUSA-N -1 3 389.448 3.511 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1c(C)noc1C ZINC000119322544 886590958 /nfs/dbraw/zinc/59/09/58/886590958.db2.gz MRMNVESXMJIRSJ-LBPRGKRZSA-N -1 3 380.363 3.879 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000499076138 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398.637 3.844 20 0 GHADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000497357267 891201666 /nfs/dbraw/zinc/20/16/66/891201666.db2.gz GNNIFDPZNDVXEN-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cccc(F)c2OC(F)F)C[C@H]1c1ccc(F)cc1 ZINC000872323339 891237783 /nfs/dbraw/zinc/23/77/83/891237783.db2.gz HKQOXEQQJYDUTQ-LSDHHAIUSA-N -1 3 383.341 3.866 20 0 GHADHM CCCSc1cccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC001170696193 891254459 /nfs/dbraw/zinc/25/44/59/891254459.db2.gz NSHJXTVZDOGCIG-UHFFFAOYSA-N -1 3 375.400 3.956 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128113436 891422004 /nfs/dbraw/zinc/42/20/04/891422004.db2.gz FNFWADBVPXOUPP-UHFFFAOYSA-N -1 3 383.795 3.944 20 0 GHADHM CN(CCOc1ccccc1C(=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249051106 891491032 /nfs/dbraw/zinc/49/10/32/891491032.db2.gz WTJBHJABCBCWFL-AEFFLSMTSA-N -1 3 396.270 3.661 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)c(I)c1 ZINC000128336774 891697020 /nfs/dbraw/zinc/69/70/20/891697020.db2.gz UPTSPTBGBGCPCQ-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM Cc1c(Cl)c(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)nc2ccccc12 ZINC000873644493 891721941 /nfs/dbraw/zinc/72/19/41/891721941.db2.gz PJZYTSHROSDISX-LSDHHAIUSA-N -1 3 398.894 3.620 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)c(C)c2)CC1 ZINC000068037164 891822079 /nfs/dbraw/zinc/82/20/79/891822079.db2.gz SQHGYRYXGKDCRV-UHFFFAOYSA-N -1 3 399.969 3.653 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCCC(F)(F)C3)cc21 ZINC000813712949 891890055 /nfs/dbraw/zinc/89/00/55/891890055.db2.gz RTCYSRFOIKYZJU-NSHDSACASA-N -1 3 391.867 3.963 20 0 GHADHM Cc1ccc(C)n1-c1nc(CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cs1 ZINC000497571831 891911949 /nfs/dbraw/zinc/91/19/49/891911949.db2.gz UCEDSGGLBMVNSW-UHFFFAOYSA-N -1 3 377.473 3.544 20 0 GHADHM CSc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC001133907229 891925019 /nfs/dbraw/zinc/92/50/19/891925019.db2.gz QGDPAXHBCNRGBF-UHFFFAOYSA-N -1 3 381.177 3.560 20 0 GHADHM CSc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC001133907229 891925028 /nfs/dbraw/zinc/92/50/28/891925028.db2.gz QGDPAXHBCNRGBF-UHFFFAOYSA-N -1 3 381.177 3.560 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccoc3C)nc(=O)c2c1C ZINC000128476813 891985043 /nfs/dbraw/zinc/98/50/43/891985043.db2.gz SQKGQBARVDOURS-NSHDSACASA-N -1 3 389.477 3.564 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1 ZINC000068226753 892065484 /nfs/dbraw/zinc/06/54/84/892065484.db2.gz XRDWSDXCDVEYNU-UHFFFAOYSA-N -1 3 382.441 3.687 20 0 GHADHM CCc1ccccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825722913 892092898 /nfs/dbraw/zinc/09/28/98/892092898.db2.gz OBDUQEIBXJACDD-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1ccccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825722913 892092916 /nfs/dbraw/zinc/09/29/16/892092916.db2.gz OBDUQEIBXJACDD-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)OC)cc3F)c2)n1 ZINC000476005386 892098852 /nfs/dbraw/zinc/09/88/52/892098852.db2.gz DWFCYHXNADWOHR-UHFFFAOYSA-N -1 3 395.390 3.590 20 0 GHADHM O=c1[n-]c(CN2CC[C@@H](Oc3ccccc3Cl)C2)nc2c3ccccc3oc21 ZINC000128569768 892137505 /nfs/dbraw/zinc/13/75/05/892137505.db2.gz NDURCTIZIRCIAJ-CYBMUJFWSA-N -1 3 395.846 3.976 20 0 GHADHM COC(=O)CCCCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000917651796 892341847 /nfs/dbraw/zinc/34/18/47/892341847.db2.gz AXAXFQYCROIQNN-UHFFFAOYSA-N -1 3 382.309 3.704 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(Br)c(F)c1F ZINC001185134736 913689560 /nfs/dbraw/zinc/68/95/60/913689560.db2.gz BEIPTOKGLDYDSE-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000128982335 892805671 /nfs/dbraw/zinc/80/56/71/892805671.db2.gz RXLRRJQOPKOVCY-AWEZNQCLSA-N -1 3 396.871 3.675 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](CO)c3ccccc3C(F)(F)F)cc(=O)oc12 ZINC000933245704 892974675 /nfs/dbraw/zinc/97/46/75/892974675.db2.gz ITKBUUWPQDWHMR-INIZCTEOSA-N -1 3 393.361 3.649 20 0 GHADHM CCC(CC)c1cc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)on1 ZINC000933515329 893062537 /nfs/dbraw/zinc/06/25/37/893062537.db2.gz AEIACNPQJLLLMJ-UHFFFAOYSA-N -1 3 375.375 3.628 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)OCc3cccc(C)c3)nc21 ZINC001134753186 893288251 /nfs/dbraw/zinc/28/82/51/893288251.db2.gz GDYUAFZLNOQNED-AWEZNQCLSA-N -1 3 381.432 3.592 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(F)ccc(F)c3Cl)nc21 ZINC001134753680 893288380 /nfs/dbraw/zinc/28/83/80/893288380.db2.gz RTFIZBYYMKYVAT-UHFFFAOYSA-N -1 3 379.750 3.924 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000508774732 893298498 /nfs/dbraw/zinc/29/84/98/893298498.db2.gz RENCZFBZXHSJHK-GFCCVEGCSA-N -1 3 394.384 3.683 20 0 GHADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129462748 893448622 /nfs/dbraw/zinc/44/86/22/893448622.db2.gz SEYFDLWVXJRTOA-SCLBCKFNSA-N -1 3 386.879 3.984 20 0 GHADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129463203 893456630 /nfs/dbraw/zinc/45/66/30/893456630.db2.gz SEYFDLWVXJRTOA-UGSOOPFHSA-N -1 3 386.879 3.984 20 0 GHADHM [O-]c1cccc(CNCc2ccnc(N3CCCCC3)c2)c1Br ZINC000459445184 893536537 /nfs/dbraw/zinc/53/65/37/893536537.db2.gz BNXWKDCNCVTMKC-UHFFFAOYSA-N -1 3 376.298 3.830 20 0 GHADHM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1cc([O-])cc(Br)c1 ZINC001137119899 893599840 /nfs/dbraw/zinc/59/98/40/893599840.db2.gz LOXSTVWLOTWAIA-UHFFFAOYSA-N -1 3 386.286 3.785 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(C(CC)CC)n3)nc21 ZINC001134941263 893653467 /nfs/dbraw/zinc/65/34/67/893653467.db2.gz XRJIHPVAKNUHCC-UHFFFAOYSA-N -1 3 383.452 3.858 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563373928 893675202 /nfs/dbraw/zinc/67/52/02/893675202.db2.gz LGSSHRFOVJPUBN-LLVKDONJSA-N -1 3 380.473 3.983 20 0 GHADHM COCCCOc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459547350 893777752 /nfs/dbraw/zinc/77/77/52/893777752.db2.gz VREAACXBGSYHCI-UHFFFAOYSA-N -1 3 380.282 3.860 20 0 GHADHM [O-]c1cccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c1Br ZINC000459554115 893795693 /nfs/dbraw/zinc/79/56/93/893795693.db2.gz CRHSXKVVFSSWQR-FQEVSTJZSA-N -1 3 390.321 3.972 20 0 GHADHM O=C(OCC1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000918507044 893803045 /nfs/dbraw/zinc/80/30/45/893803045.db2.gz FMWIDQOUTUTOJQ-UHFFFAOYSA-N -1 3 377.437 3.974 20 0 GHADHM COc1ccc(C(=O)C2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)cc1 ZINC000877916401 893891727 /nfs/dbraw/zinc/89/17/27/893891727.db2.gz BRWXEJJWPVWILW-UHFFFAOYSA-N -1 3 393.443 3.546 20 0 GHADHM COc1ccccc1CN(Cc1nnc(-c2ccccc2[O-])o1)C[C@@H]1CCCO1 ZINC000877959876 893915072 /nfs/dbraw/zinc/91/50/72/893915072.db2.gz UASHAWQFJVEQFK-KRWDZBQOSA-N -1 3 395.459 3.632 20 0 GHADHM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000129749843 893945886 /nfs/dbraw/zinc/94/58/86/893945886.db2.gz BVHTXWLNIZMYCH-CQSZACIVSA-N -1 3 389.452 3.828 20 0 GHADHM O=c1[n-]c(CN(Cc2ccccc2)Cc2ccc(F)cc2)nc2c1COCC2 ZINC000878012808 893947584 /nfs/dbraw/zinc/94/75/84/893947584.db2.gz QCHHPVNUDBRSOM-UHFFFAOYSA-N -1 3 379.435 3.596 20 0 GHADHM CCc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1ccc(OC(C)C)cc1 ZINC000129753691 893949375 /nfs/dbraw/zinc/94/93/75/893949375.db2.gz DSXZZXMTGKVVNX-UHFFFAOYSA-N -1 3 384.411 3.714 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c(=O)[n-]1 ZINC000288611186 913820125 /nfs/dbraw/zinc/82/01/25/913820125.db2.gz OXFXCZAVYBZUNY-CQSZACIVSA-N -1 3 392.459 3.796 20 0 GHADHM O=c1[n-]c(CN[C@H](c2cccc3ccccc32)C(F)(F)F)nc2c1COCC2 ZINC000878394189 894255793 /nfs/dbraw/zinc/25/57/93/894255793.db2.gz OTNDVOUAMHXPNK-GOSISDBHSA-N -1 3 389.377 3.801 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@]1(c2ccccc2)CCCCC1=O ZINC000878476977 894322571 /nfs/dbraw/zinc/32/25/71/894322571.db2.gz SRCDACVHVPSRBI-QFIPXVFZSA-N -1 3 377.444 3.913 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000127145361 894322848 /nfs/dbraw/zinc/32/28/48/894322848.db2.gz GIVPHAHYKJSRTE-AWEZNQCLSA-N -1 3 394.487 3.821 20 0 GHADHM Cc1ccccc1C1(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000645373720 913860837 /nfs/dbraw/zinc/86/08/37/913860837.db2.gz RAXLDJNMJWYYAA-UHFFFAOYSA-N -1 3 375.266 3.952 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(I)cc2[O-])cc1 ZINC001185406153 913869157 /nfs/dbraw/zinc/86/91/57/913869157.db2.gz CASXDWLBRJQEGW-UHFFFAOYSA-N -1 3 382.201 3.627 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCCN(c3ccccc3Cl)CC2)o1 ZINC000878615027 894443381 /nfs/dbraw/zinc/44/33/81/894443381.db2.gz VMZHTNHZUDVPTB-UHFFFAOYSA-N -1 3 384.867 3.808 20 0 GHADHM CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1cccs1 ZINC001135456000 894618618 /nfs/dbraw/zinc/61/86/18/894618618.db2.gz CJHROGFHAIIQGQ-MRXNPFEDSA-N -1 3 384.457 3.559 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(c3ccc(F)cc3)CC2)[nH][n-]1 ZINC000564149160 894651070 /nfs/dbraw/zinc/65/10/70/894651070.db2.gz SIHHCEXFAMCDBN-UHFFFAOYSA-N -1 3 385.826 3.970 20 0 GHADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000878945637 894743885 /nfs/dbraw/zinc/74/38/85/894743885.db2.gz PMGUOFKEACAPTG-HOCLYGCPSA-N -1 3 376.884 3.659 20 0 GHADHM CC(C)(C)OC(=O)[C@@](C)(NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878996504 894771760 /nfs/dbraw/zinc/77/17/60/894771760.db2.gz KRKBMSNJPUDKCN-QFIPXVFZSA-N -1 3 395.459 3.789 20 0 GHADHM C[C@]1(NC(=O)c2cc([O-])ccc2Cl)CCN(C(=O)OCc2ccccc2)C1 ZINC000816547638 894917863 /nfs/dbraw/zinc/91/78/63/894917863.db2.gz CQSGOTHDTRAPPK-FQEVSTJZSA-N -1 3 388.851 3.577 20 0 GHADHM C[C@H](NC(=O)c1cc2cccc(Cl)c2o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000816611640 894974797 /nfs/dbraw/zinc/97/47/97/894974797.db2.gz UKUDSLKWFHNYBM-QWRGUYRKSA-N -1 3 387.823 3.580 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000537436390 894984327 /nfs/dbraw/zinc/98/43/27/894984327.db2.gz QHTQDTIKJYYLLE-STQMWFEESA-N -1 3 383.407 3.717 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cc([O-])ccc1Cl ZINC000564462311 895012540 /nfs/dbraw/zinc/01/25/40/895012540.db2.gz LFEWQTQGJWRGGR-LLVKDONJSA-N -1 3 395.684 3.817 20 0 GHADHM C=C/C=C/CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001135673950 895043730 /nfs/dbraw/zinc/04/37/30/895043730.db2.gz HBADLRPTZFMFGF-AATRIKPKSA-N -1 3 386.473 3.875 20 0 GHADHM COc1ccc([C@H]2COCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000879735960 895261267 /nfs/dbraw/zinc/26/12/67/895261267.db2.gz FKMNDSAQEILQPT-QGZVFWFLSA-N -1 3 391.427 3.664 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)o1 ZINC000826120262 895281277 /nfs/dbraw/zinc/28/12/77/895281277.db2.gz AMKPGFHCYVPBFS-NTMALXAHSA-N -1 3 375.450 3.692 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000565291863 895510405 /nfs/dbraw/zinc/51/04/05/895510405.db2.gz IQOCOYJAJYBPRK-GOSISDBHSA-N -1 3 393.256 3.935 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000880230663 895585069 /nfs/dbraw/zinc/58/50/69/895585069.db2.gz MSFKSNSBBLGUQW-VHSXEESVSA-N -1 3 381.420 3.803 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000880230663 895585078 /nfs/dbraw/zinc/58/50/78/895585078.db2.gz MSFKSNSBBLGUQW-VHSXEESVSA-N -1 3 381.420 3.803 20 0 GHADHM O=C([N-]OCCC1CC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000817421326 895597123 /nfs/dbraw/zinc/59/71/23/895597123.db2.gz XMLRHAJBBWUVOM-CQSZACIVSA-N -1 3 385.291 3.694 20 0 GHADHM COCc1ccsc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826165466 895729639 /nfs/dbraw/zinc/72/96/39/895729639.db2.gz WDLSYKXBIBMRQX-UHFFFAOYSA-N -1 3 395.444 3.515 20 0 GHADHM COCc1ccsc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826165466 895729652 /nfs/dbraw/zinc/72/96/52/895729652.db2.gz WDLSYKXBIBMRQX-UHFFFAOYSA-N -1 3 395.444 3.515 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826169719 895735063 /nfs/dbraw/zinc/73/50/63/895735063.db2.gz BSQGRNNIYUUITH-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826169719 895735075 /nfs/dbraw/zinc/73/50/75/895735075.db2.gz BSQGRNNIYUUITH-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C)n2)c(Br)c1 ZINC001185633594 914000270 /nfs/dbraw/zinc/00/02/70/914000270.db2.gz IFUCWFLTYWAXEC-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC001135957392 895786166 /nfs/dbraw/zinc/78/61/66/895786166.db2.gz FEXMFHIBDKJGBJ-MRXNPFEDSA-N -1 3 392.908 3.559 20 0 GHADHM CCOc1ccc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1OCC ZINC000817707628 895827619 /nfs/dbraw/zinc/82/76/19/895827619.db2.gz OMYQTHJFBZPDOE-UHFFFAOYSA-N -1 3 388.445 3.822 20 0 GHADHM CC(C)(C)C1CCC(c2cc(=NC(=O)c3cc(=O)[n-]c(C4CC4)n3)[nH][nH]2)CC1 ZINC000565901082 895967304 /nfs/dbraw/zinc/96/73/04/895967304.db2.gz FBUCPEPQUMVISJ-UHFFFAOYSA-N -1 3 383.496 3.777 20 0 GHADHM COc1ccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1Cl ZINC000826201751 896220088 /nfs/dbraw/zinc/22/00/88/896220088.db2.gz CSDMJORGRVXNIE-HNNXBMFYSA-N -1 3 397.788 3.922 20 0 GHADHM COc1ccc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1Cl ZINC000826201751 896220097 /nfs/dbraw/zinc/22/00/97/896220097.db2.gz CSDMJORGRVXNIE-HNNXBMFYSA-N -1 3 397.788 3.922 20 0 GHADHM COc1ccc(CNc2ncc(Cc3cccc(F)c3)s2)cc1-c1nnn[n-]1 ZINC000826204525 896239053 /nfs/dbraw/zinc/23/90/53/896239053.db2.gz OEQFYAAMEKWNCF-UHFFFAOYSA-N -1 3 396.451 3.674 20 0 GHADHM COc1ccc(CNc2ncc(Cc3cccc(F)c3)s2)cc1-c1nn[n-]n1 ZINC000826204525 896239066 /nfs/dbraw/zinc/23/90/66/896239066.db2.gz OEQFYAAMEKWNCF-UHFFFAOYSA-N -1 3 396.451 3.674 20 0 GHADHM CC[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1cccc(C(F)(F)F)c1 ZINC000566443539 896316386 /nfs/dbraw/zinc/31/63/86/896316386.db2.gz VKQXDMPGNPPHTB-CYBMUJFWSA-N -1 3 395.381 3.666 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)CCC2CCCC2)c2ccc(Cl)cc2)no1 ZINC000566602369 896408750 /nfs/dbraw/zinc/40/87/50/896408750.db2.gz BYGCCGNEHUHSOG-INIZCTEOSA-N -1 3 383.901 3.621 20 0 GHADHM COc1cccc([C@H]2CCN(C(=O)c3nnc4ccccc4c3[O-])C2(C)C)c1 ZINC000881655190 896440874 /nfs/dbraw/zinc/44/08/74/896440874.db2.gz IEDYTULAAKDDHF-QGZVFWFLSA-N -1 3 377.444 3.752 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(F)F ZINC000645794762 914068875 /nfs/dbraw/zinc/06/88/75/914068875.db2.gz WXJTYRGTIZCYBY-ZETCQYMHSA-N -1 3 381.750 3.808 20 0 GHADHM CSc1cccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230956 896557508 /nfs/dbraw/zinc/55/75/08/896557508.db2.gz QMYLVCQHWRBXCS-UHFFFAOYSA-N -1 3 391.504 3.626 20 0 GHADHM CSc1cccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230956 896557517 /nfs/dbraw/zinc/55/75/17/896557517.db2.gz QMYLVCQHWRBXCS-UHFFFAOYSA-N -1 3 391.504 3.626 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826256919 896744799 /nfs/dbraw/zinc/74/47/99/896744799.db2.gz GKELAHURLVTQFO-LBPRGKRZSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826256919 896744812 /nfs/dbraw/zinc/74/48/12/896744812.db2.gz GKELAHURLVTQFO-LBPRGKRZSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826265269 896764880 /nfs/dbraw/zinc/76/48/80/896764880.db2.gz SARWAKNLSLKRFQ-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826265269 896764887 /nfs/dbraw/zinc/76/48/87/896764887.db2.gz SARWAKNLSLKRFQ-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1C ZINC000826282281 896867691 /nfs/dbraw/zinc/86/76/91/896867691.db2.gz GWTZZBHABWMXKH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1C ZINC000826282281 896867700 /nfs/dbraw/zinc/86/77/00/896867700.db2.gz GWTZZBHABWMXKH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CC2)cn1 ZINC000826286307 896933753 /nfs/dbraw/zinc/93/37/53/896933753.db2.gz YDPLYAAILPXSRL-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CC2)cn1 ZINC000826286307 896933760 /nfs/dbraw/zinc/93/37/60/896933760.db2.gz YDPLYAAILPXSRL-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000567172483 896935294 /nfs/dbraw/zinc/93/52/94/896935294.db2.gz PIRAMWMBWHHPJL-NSHDSACASA-N -1 3 394.258 3.585 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1c(C)noc1C ZINC000567224777 896984711 /nfs/dbraw/zinc/98/47/11/896984711.db2.gz XQIYQENYLWUTGA-LLVKDONJSA-N -1 3 396.362 3.759 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cccc3cccnc31)CC2 ZINC000567396839 897117561 /nfs/dbraw/zinc/11/75/61/897117561.db2.gz ATJPYRFKKHBAMA-LJQANCHMSA-N -1 3 392.455 3.826 20 0 GHADHM O=C(CCc1nc(-c2cc(Br)cs2)no1)[N-]Oc1ccccc1 ZINC000820049561 897138904 /nfs/dbraw/zinc/13/89/04/897138904.db2.gz UWMANRSSBOYORF-UHFFFAOYSA-N -1 3 394.250 3.603 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000820116800 897169834 /nfs/dbraw/zinc/16/98/34/897169834.db2.gz NVSIXNOLNRZTGQ-RBUKOAKNSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000820116800 897169841 /nfs/dbraw/zinc/16/98/41/897169841.db2.gz NVSIXNOLNRZTGQ-RBUKOAKNSA-N -1 3 382.512 3.756 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220354 897246732 /nfs/dbraw/zinc/24/67/32/897246732.db2.gz RSTGSVOPOBMWSF-CYBMUJFWSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820220354 897246744 /nfs/dbraw/zinc/24/67/44/897246744.db2.gz RSTGSVOPOBMWSF-CYBMUJFWSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342928 897281328 /nfs/dbraw/zinc/28/13/28/897281328.db2.gz YTWDLNBUVDNHSF-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342928 897281340 /nfs/dbraw/zinc/28/13/40/897281340.db2.gz YTWDLNBUVDNHSF-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CN[C@@H](C)[C@H](C)C(=O)[O-])cs1 ZINC000567619995 897296875 /nfs/dbraw/zinc/29/68/75/897296875.db2.gz LHRZKCHZHTWMSQ-UWVGGRQHSA-N -1 3 399.310 3.780 20 0 GHADHM CCN(C(=O)c1s[n-]c(=O)c1Cl)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001136361551 897447298 /nfs/dbraw/zinc/44/72/98/897447298.db2.gz DYJQGBMVZKHILM-JSGCOSHPSA-N -1 3 379.913 3.800 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000826310965 897464251 /nfs/dbraw/zinc/46/42/51/897464251.db2.gz OVFHTJFWRVJNJP-JTQLQIEISA-N -1 3 391.298 3.736 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000826310965 897464263 /nfs/dbraw/zinc/46/42/63/897464263.db2.gz OVFHTJFWRVJNJP-JTQLQIEISA-N -1 3 391.298 3.736 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CC[C@@]4(C3)OCc3ccccc34)c2c1 ZINC000567979283 897519625 /nfs/dbraw/zinc/51/96/25/897519625.db2.gz GFSZQNVLJKZFIV-QFIPXVFZSA-N -1 3 376.412 3.577 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000820799365 897556483 /nfs/dbraw/zinc/55/64/83/897556483.db2.gz MHGKUHCGQHGJQO-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1ccc(OC(F)F)c(F)c1 ZINC000820799190 897557941 /nfs/dbraw/zinc/55/79/41/897557941.db2.gz CXOISMXJSFCWBD-UHFFFAOYSA-N -1 3 387.166 3.930 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826322004 897576830 /nfs/dbraw/zinc/57/68/30/897576830.db2.gz XAMUJKZEMHICSA-INIZCTEOSA-N -1 3 399.886 3.618 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826322004 897576839 /nfs/dbraw/zinc/57/68/39/897576839.db2.gz XAMUJKZEMHICSA-INIZCTEOSA-N -1 3 399.886 3.618 20 0 GHADHM CC1(C)C[C@@H](NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])CCO1 ZINC001185936630 914179335 /nfs/dbraw/zinc/17/93/35/914179335.db2.gz FENNMJXLXZQWBB-KRWDZBQOSA-N -1 3 390.524 3.536 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821002215 897662474 /nfs/dbraw/zinc/66/24/74/897662474.db2.gz VAKKBSXCZKPYSN-WBMJQRKESA-N -1 3 382.493 3.708 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821002215 897662485 /nfs/dbraw/zinc/66/24/85/897662485.db2.gz VAKKBSXCZKPYSN-WBMJQRKESA-N -1 3 382.493 3.708 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821119127 897722523 /nfs/dbraw/zinc/72/25/23/897722523.db2.gz VHIMDGNWVYBPSE-CQSZACIVSA-N -1 3 394.479 3.830 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c(OC)c1 ZINC000028752606 897884516 /nfs/dbraw/zinc/88/45/16/897884516.db2.gz CXEXMVCHXJEDMY-MRVPVSSYSA-N -1 3 387.219 3.523 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c1[O-] ZINC000303033907 914207319 /nfs/dbraw/zinc/20/73/19/914207319.db2.gz QMHOULPYSWDOIE-UHFFFAOYSA-N -1 3 378.881 3.860 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1-c1ccccc1 ZINC001275483320 914208578 /nfs/dbraw/zinc/20/85/78/914208578.db2.gz KCUHHXCLGGQPNU-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1-c1ccccc1 ZINC001275483320 914208593 /nfs/dbraw/zinc/20/85/93/914208593.db2.gz KCUHHXCLGGQPNU-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM Cc1ncc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])nc1C ZINC001185930168 914209861 /nfs/dbraw/zinc/20/98/61/914209861.db2.gz QKXZKZIULQRTBN-UHFFFAOYSA-N -1 3 384.480 3.508 20 0 GHADHM Clc1ccc(-n2ccc(NCc3cccc4cc[nH]c43)n2)c(-c2nnn[n-]2)c1 ZINC000826351718 897997135 /nfs/dbraw/zinc/99/71/35/897997135.db2.gz XLZBMPBYOYGVNQ-UHFFFAOYSA-N -1 3 390.838 3.799 20 0 GHADHM Clc1ccc(-n2ccc(NCc3cccc4cc[nH]c43)n2)c(-c2nn[n-]n2)c1 ZINC000826351718 897997140 /nfs/dbraw/zinc/99/71/40/897997140.db2.gz XLZBMPBYOYGVNQ-UHFFFAOYSA-N -1 3 390.838 3.799 20 0 GHADHM C=C/C=C/CCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000883830469 898011520 /nfs/dbraw/zinc/01/15/20/898011520.db2.gz LUVDLEKHJIYLEX-XGACYXMMSA-N -1 3 381.398 3.501 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c(F)cc1Br ZINC001185988280 914215579 /nfs/dbraw/zinc/21/55/79/914215579.db2.gz XBXCYFVJIYIFJY-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccs1 ZINC001136490846 898063138 /nfs/dbraw/zinc/06/31/38/898063138.db2.gz UDXYPDSUEQCFKZ-GOSISDBHSA-N -1 3 383.425 3.890 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cccc(Cl)c1 ZINC001170973496 898143853 /nfs/dbraw/zinc/14/38/53/898143853.db2.gz IQESJLVLAKTWEA-UHFFFAOYSA-N -1 3 384.823 3.885 20 0 GHADHM C[C@H](S[C@H]1CCCCNC1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000105623721 898214916 /nfs/dbraw/zinc/21/49/16/898214916.db2.gz ARIIVTBHKHVUDB-GWCFXTLKSA-N -1 3 389.502 3.708 20 0 GHADHM O=C(CSc1ccc2c(c1)CCC2)OCc1nnc(-c2ccccc2[O-])o1 ZINC000883941776 898217616 /nfs/dbraw/zinc/21/76/16/898217616.db2.gz HXPKUZSLLCZITB-UHFFFAOYSA-N -1 3 382.441 3.766 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000568984114 898258796 /nfs/dbraw/zinc/25/87/96/898258796.db2.gz QWHCGBVXQRSHLT-OIISXLGYSA-N -1 3 386.879 3.776 20 0 GHADHM Cc1ccc(CCCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000822235938 898262713 /nfs/dbraw/zinc/26/27/13/898262713.db2.gz CJDDEWKBRWBFBW-UHFFFAOYSA-N -1 3 381.505 3.751 20 0 GHADHM Cc1ccc(CCCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000822235938 898262728 /nfs/dbraw/zinc/26/27/28/898262728.db2.gz CJDDEWKBRWBFBW-UHFFFAOYSA-N -1 3 381.505 3.751 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1F)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000800053768 898538781 /nfs/dbraw/zinc/53/87/81/898538781.db2.gz LWSBAVOJDFBLGZ-MDZDMXLPSA-N -1 3 393.827 3.619 20 0 GHADHM COc1ccc(Br)cc1CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000569466329 898692447 /nfs/dbraw/zinc/69/24/47/898692447.db2.gz UEDPBQAOHOJLEI-IAGOWNOFSA-N -1 3 390.277 3.758 20 0 GHADHM O=C(OCc1ncc(-c2cccc(Br)c2)o1)c1cccc2nn[n-]c21 ZINC000800206898 898743266 /nfs/dbraw/zinc/74/32/66/898743266.db2.gz LQTULNLTYYEPLC-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1ncc(-c2cccc(Br)c2)o1)c1cccc2[n-]nnc21 ZINC000800206898 898743275 /nfs/dbraw/zinc/74/32/75/898743275.db2.gz LQTULNLTYYEPLC-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1ncc(-c2cccc(Br)c2)o1)c1cccc2n[n-]nc21 ZINC000800206898 898743285 /nfs/dbraw/zinc/74/32/85/898743285.db2.gz LQTULNLTYYEPLC-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM Cc1cccc(Oc2ccccc2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001136655008 898782701 /nfs/dbraw/zinc/78/27/01/898782701.db2.gz DZBNKJQFPWLFFL-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM Cc1cccc(Oc2ccccc2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001136655008 898782712 /nfs/dbraw/zinc/78/27/12/898782712.db2.gz DZBNKJQFPWLFFL-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccc3)cc2)cc1Cl ZINC001186051695 914285311 /nfs/dbraw/zinc/28/53/11/914285311.db2.gz SZPYGQWHUNKSCS-UHFFFAOYSA-N -1 3 389.864 3.890 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CCCCC1 ZINC000823257630 898923414 /nfs/dbraw/zinc/92/34/14/898923414.db2.gz QSWSVGYLXOKOGS-UHFFFAOYSA-N -1 3 390.491 3.911 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CCCCC1 ZINC000823257630 898923423 /nfs/dbraw/zinc/92/34/23/898923423.db2.gz QSWSVGYLXOKOGS-UHFFFAOYSA-N -1 3 390.491 3.911 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000331616118 899027367 /nfs/dbraw/zinc/02/73/67/899027367.db2.gz KSVAEROLXPUNDN-OAHLLOKOSA-N -1 3 393.915 3.984 20 0 GHADHM COC(=O)C[C@@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115190780 899166699 /nfs/dbraw/zinc/16/66/99/899166699.db2.gz WRUNPTXQVKTXDO-NXEZZACHSA-N -1 3 378.475 3.990 20 0 GHADHM Cc1ccc([C@H](c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)C(C)C)cc1 ZINC000570318809 899261387 /nfs/dbraw/zinc/26/13/87/899261387.db2.gz LWMYEKJGTWNHDI-QGZVFWFLSA-N -1 3 386.477 3.599 20 0 GHADHM C(=C/[C@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)\c1ccccc1 ZINC000823861328 899283581 /nfs/dbraw/zinc/28/35/81/899283581.db2.gz DTQWCOSHFSWFBO-BNOPAZPUSA-N -1 3 399.458 3.595 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN(CCC(=O)[O-])CC(C)C)cc2)cc1 ZINC000570403485 899302954 /nfs/dbraw/zinc/30/29/54/899302954.db2.gz PTPCYNAWXIPHMT-UHFFFAOYSA-N -1 3 389.517 3.761 20 0 GHADHM C[C@H](C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1cccs1 ZINC000824045095 899358892 /nfs/dbraw/zinc/35/88/92/899358892.db2.gz GERWSWMMYWWNCE-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM CCc1cc(C(=O)OC)c([N-]C(=O)c2nc(Br)cs2)s1 ZINC000824090559 899389920 /nfs/dbraw/zinc/38/99/20/899389920.db2.gz BAGOBNGHOGQXFL-UHFFFAOYSA-N -1 3 375.269 3.568 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 ZINC001136840265 899470672 /nfs/dbraw/zinc/47/06/72/899470672.db2.gz JCKNFOILGVTIIX-UHFFFAOYSA-N -1 3 396.340 3.861 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480100 899623992 /nfs/dbraw/zinc/62/39/92/899623992.db2.gz SXHPNECEAUWLRF-JQPKSGMCSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480100 899624002 /nfs/dbraw/zinc/62/40/02/899624002.db2.gz SXHPNECEAUWLRF-JQPKSGMCSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)CCc1ccncc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480266 899624451 /nfs/dbraw/zinc/62/44/51/899624451.db2.gz VCIBBRCQMKTHHC-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](NC(=O)CCc1ccncc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480266 899624456 /nfs/dbraw/zinc/62/44/56/899624456.db2.gz VCIBBRCQMKTHHC-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](NC(=O)N1C[C@H]2CCC[C@@H]21)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490447 899632535 /nfs/dbraw/zinc/63/25/35/899632535.db2.gz POKXDLWGLQQPQX-KPOBHBOGSA-N -1 3 388.475 3.789 20 0 GHADHM C[C@H](NC(=O)N1C[C@H]2CCC[C@@H]21)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490447 899632540 /nfs/dbraw/zinc/63/25/40/899632540.db2.gz POKXDLWGLQQPQX-KPOBHBOGSA-N -1 3 388.475 3.789 20 0 GHADHM C[C@@H](N[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824530633 899662774 /nfs/dbraw/zinc/66/27/74/899662774.db2.gz MLYXJKLNPINXBO-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824530633 899662778 /nfs/dbraw/zinc/66/27/78/899662778.db2.gz MLYXJKLNPINXBO-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)s1 ZINC000570881105 899663365 /nfs/dbraw/zinc/66/33/65/899663365.db2.gz RPODLQXXBORIKW-NOZJJQNGSA-N -1 3 388.308 3.620 20 0 GHADHM C[C@@H](NC(=O)NCC1(C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498595 899668079 /nfs/dbraw/zinc/66/80/79/899668079.db2.gz ITAVEQJSLZQSAS-CQSZACIVSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@@H](NC(=O)NCC1(C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498595 899668088 /nfs/dbraw/zinc/66/80/88/899668088.db2.gz ITAVEQJSLZQSAS-CQSZACIVSA-N -1 3 376.464 3.694 20 0 GHADHM O=C(Cc1ccc(-c2noc(-c3cnn[n-]3)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001212799448 899720206 /nfs/dbraw/zinc/72/02/06/899720206.db2.gz WOALUALFDMRGNG-UHFFFAOYSA-N -1 3 399.332 3.966 20 0 GHADHM O=C(Cc1ccc(-c2noc(-c3c[n-]nn3)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001212799448 899720217 /nfs/dbraw/zinc/72/02/17/899720217.db2.gz WOALUALFDMRGNG-UHFFFAOYSA-N -1 3 399.332 3.966 20 0 GHADHM C[C@@H](NCc1nccn1C(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824633860 899730051 /nfs/dbraw/zinc/73/00/51/899730051.db2.gz QWVODPIAZNPVEC-CYBMUJFWSA-N -1 3 395.417 3.976 20 0 GHADHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1F ZINC000332525734 899736522 /nfs/dbraw/zinc/73/65/22/899736522.db2.gz MWZGDVRGVOCLCX-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)[C@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186241921 914380614 /nfs/dbraw/zinc/38/06/14/914380614.db2.gz XIQFXIGWGGKLNO-NSHDSACASA-N -1 3 381.613 3.512 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC000824757591 899809734 /nfs/dbraw/zinc/80/97/34/899809734.db2.gz YCWWRGDVXQFTTJ-SECBINFHSA-N -1 3 384.852 3.760 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC000824757591 899809741 /nfs/dbraw/zinc/80/97/41/899809741.db2.gz YCWWRGDVXQFTTJ-SECBINFHSA-N -1 3 384.852 3.760 20 0 GHADHM O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333038604 899912035 /nfs/dbraw/zinc/91/20/35/899912035.db2.gz JDHJDMDCXUBJMJ-GZNCHQMQSA-N -1 3 392.499 3.839 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1csc(NC2CCCCC2)n1 ZINC000825015439 899935429 /nfs/dbraw/zinc/93/54/29/899935429.db2.gz PIWOGIRRRBOQRC-UHFFFAOYSA-N -1 3 393.538 3.886 20 0 GHADHM CC[C@@H](C)CCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825059614 899959284 /nfs/dbraw/zinc/95/92/84/899959284.db2.gz HOKHLRSWONRYSH-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@@H](C)CCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825059614 899959290 /nfs/dbraw/zinc/95/92/90/899959290.db2.gz HOKHLRSWONRYSH-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825113847 899984814 /nfs/dbraw/zinc/98/48/14/899984814.db2.gz GYLNGGBTCYAMEA-UHFFFAOYSA-N -1 3 385.497 3.535 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825113847 899984820 /nfs/dbraw/zinc/98/48/20/899984820.db2.gz GYLNGGBTCYAMEA-UHFFFAOYSA-N -1 3 385.497 3.535 20 0 GHADHM CCC1(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCOCC1 ZINC000825164569 900007287 /nfs/dbraw/zinc/00/72/87/900007287.db2.gz DCWWDGPTLTZQKE-UHFFFAOYSA-N -1 3 392.459 3.784 20 0 GHADHM CCC1(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCOCC1 ZINC000825164569 900007292 /nfs/dbraw/zinc/00/72/92/900007292.db2.gz DCWWDGPTLTZQKE-UHFFFAOYSA-N -1 3 392.459 3.784 20 0 GHADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000571962525 900021153 /nfs/dbraw/zinc/02/11/53/900021153.db2.gz VZTFLIOWGNZQSZ-HNNXBMFYSA-N -1 3 376.526 3.992 20 0 GHADHM CCCCC[C@@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825266758 900060357 /nfs/dbraw/zinc/06/03/57/900060357.db2.gz HDUXKNUZJRRUGO-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@@H](CC)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825266758 900060367 /nfs/dbraw/zinc/06/03/67/900060367.db2.gz HDUXKNUZJRRUGO-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000825297803 900077500 /nfs/dbraw/zinc/07/75/00/900077500.db2.gz FVHWUPFUMAADMY-IBGZPJMESA-N -1 3 380.492 3.510 20 0 GHADHM CCCOC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332596 900099961 /nfs/dbraw/zinc/09/99/61/900099961.db2.gz JLWIZCQWUCKTMJ-CABCVRRESA-N -1 3 379.464 3.526 20 0 GHADHM CCCOC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332596 900099969 /nfs/dbraw/zinc/09/99/69/900099969.db2.gz JLWIZCQWUCKTMJ-CABCVRRESA-N -1 3 379.464 3.526 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])C1(Cc2ccccc2)CC1 ZINC001154104480 900146929 /nfs/dbraw/zinc/14/69/29/900146929.db2.gz QLISKXHJICJRGD-UHFFFAOYSA-N -1 3 393.224 3.958 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1(c2c(F)cccc2F)CCC1 ZINC000884554497 900169022 /nfs/dbraw/zinc/16/90/22/900169022.db2.gz VQQRFWXMQCPAOX-UHFFFAOYSA-N -1 3 386.354 3.886 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000826422036 900232019 /nfs/dbraw/zinc/23/20/19/900232019.db2.gz KBVUZRHIXLXGOB-JYBLJSLWSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000826422036 900232032 /nfs/dbraw/zinc/23/20/32/900232032.db2.gz KBVUZRHIXLXGOB-JYBLJSLWSA-N -1 3 393.516 3.955 20 0 GHADHM CC[C@H]1[C@@H](C(=O)Nc2cccc(C(C)=O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000843891006 900295058 /nfs/dbraw/zinc/29/50/58/900295058.db2.gz WNKAWNNEWQFRSJ-HOCLYGCPSA-N -1 3 376.453 3.569 20 0 GHADHM CC(C)[C@@H](Cc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000778833400 900298983 /nfs/dbraw/zinc/29/89/83/900298983.db2.gz KMTXMQVECQLOQH-GOSISDBHSA-N -1 3 379.453 3.621 20 0 GHADHM O=c1[n-]cnc2c1CCN(c1nc(C3CC3)nc3sc4c(c31)CCCC4)C2 ZINC000574794944 901014202 /nfs/dbraw/zinc/01/42/02/901014202.db2.gz KDVBIVWRVPDSNT-UHFFFAOYSA-N -1 3 379.489 3.506 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(F)c1Cl)c1cncc(Br)c1 ZINC001186413091 914497811 /nfs/dbraw/zinc/49/78/11/914497811.db2.gz CPWFLVOIFPOCJI-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC(C)(C)c1coc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000574924911 901055308 /nfs/dbraw/zinc/05/53/08/901055308.db2.gz KNOLFMFQPRVSPQ-UHFFFAOYSA-N -1 3 397.332 3.963 20 0 GHADHM c1c2ccccc2oc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000826525305 901389643 /nfs/dbraw/zinc/38/96/43/901389643.db2.gz DXFNDBPFKNCGSD-OAQYLSRUSA-N -1 3 382.427 3.887 20 0 GHADHM Cc1ccc(-n2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)n2)cc1 ZINC001144260676 901475233 /nfs/dbraw/zinc/47/52/33/901475233.db2.gz SRFYAAYHSSGGEQ-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM Cc1nc([C@@H](C)S(=O)(=O)c2nc(C3CC3)n[n-]2)oc1-c1ccc(Cl)cc1 ZINC000122028658 901716739 /nfs/dbraw/zinc/71/67/39/901716739.db2.gz KZNPINUOYBUYFL-SNVBAGLBSA-N -1 3 392.868 3.834 20 0 GHADHM Cc1nc([C@@H](C)S(=O)(=O)c2nnc(C3CC3)[n-]2)oc1-c1ccc(Cl)cc1 ZINC000122028658 901716753 /nfs/dbraw/zinc/71/67/53/901716753.db2.gz KZNPINUOYBUYFL-SNVBAGLBSA-N -1 3 392.868 3.834 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H]1F)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000576257723 901875302 /nfs/dbraw/zinc/87/53/02/901875302.db2.gz ARYNLEDFIBTCNU-NWDGAFQWSA-N -1 3 387.636 3.564 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845192846 901928386 /nfs/dbraw/zinc/92/83/86/901928386.db2.gz GKZXKHBQZHTQGN-ZDUSSCGKSA-N -1 3 390.867 3.610 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(OC2CCCC2)CC1 ZINC000126169070 902293145 /nfs/dbraw/zinc/29/31/45/902293145.db2.gz IAXFIPYOFTUNQL-UHFFFAOYSA-N -1 3 397.313 3.788 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@@H](CO)Cc2ccccc21 ZINC000646528880 914617753 /nfs/dbraw/zinc/61/77/53/914617753.db2.gz CIUVUAONGAAOSZ-FQEVSTJZSA-N -1 3 387.479 3.989 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1C[C@H](CO)Cc2ccccc21 ZINC000646528392 914615005 /nfs/dbraw/zinc/61/50/05/914615005.db2.gz QJGWROFGSMLLAL-GOSISDBHSA-N -1 3 389.451 3.783 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)c1 ZINC000576915429 902353890 /nfs/dbraw/zinc/35/38/90/902353890.db2.gz PQPPAHRDRCCENV-UHFFFAOYSA-N -1 3 391.880 3.781 20 0 GHADHM CC(C)(C)c1ccc(CN2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC001144626625 902502291 /nfs/dbraw/zinc/50/22/91/902502291.db2.gz ZDHPFIPIKMSLEM-UHFFFAOYSA-N -1 3 384.495 3.716 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3cc(F)c([O-])cc3F)CC2)C1 ZINC001144648854 902552747 /nfs/dbraw/zinc/55/27/47/902552747.db2.gz ZHSZIBGOJJHJEU-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000845973798 902554149 /nfs/dbraw/zinc/55/41/49/902554149.db2.gz DBRMMPMNIWDZSX-CABCVRRESA-N -1 3 382.284 3.916 20 0 GHADHM O=C(c1cccs1)N1CCC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144651555 902559749 /nfs/dbraw/zinc/55/97/49/902559749.db2.gz VXLBDJZAOINQEC-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)C1=O ZINC001144654476 902567192 /nfs/dbraw/zinc/56/71/92/902567192.db2.gz MKPVEPGDXJFLPX-QFIPXVFZSA-N -1 3 386.442 3.817 20 0 GHADHM CCCOc1ccc(Br)cc1CN1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000846280762 902843814 /nfs/dbraw/zinc/84/38/14/902843814.db2.gz HMZVDFQKJTXLJE-RDTXWAMCSA-N -1 3 382.298 3.925 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846576174 903060502 /nfs/dbraw/zinc/06/05/02/903060502.db2.gz UWABYJNLQSWEOQ-MRXNPFEDSA-N -1 3 397.219 3.552 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000846586074 903083952 /nfs/dbraw/zinc/08/39/52/903083952.db2.gz YSNIZDXWGJRSON-MRXNPFEDSA-N -1 3 389.883 3.540 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000577746974 903151506 /nfs/dbraw/zinc/15/15/06/903151506.db2.gz NFBHNQZJXFKGSE-MRVPVSSYSA-N -1 3 380.775 3.530 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)c1cccs1 ZINC000846848038 903268115 /nfs/dbraw/zinc/26/81/15/903268115.db2.gz MHAUJIAHPZONKY-OAHLLOKOSA-N -1 3 383.416 3.658 20 0 GHADHM C[C@@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCCC1 ZINC000265123451 903646810 /nfs/dbraw/zinc/64/68/10/903646810.db2.gz DWMUINMZCJZTND-REWPJTCUSA-N -1 3 386.536 3.829 20 0 GHADHM COc1ncc(Br)cc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001147675702 903846564 /nfs/dbraw/zinc/84/65/64/903846564.db2.gz CXYJIHDTWFOASB-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@@H]2CCc3cc(Br)ccc3C2)ccc1[O-] ZINC001148669788 904165727 /nfs/dbraw/zinc/16/57/27/904165727.db2.gz COJCSHSAHVGYCC-MRXNPFEDSA-N -1 3 388.261 3.645 20 0 GHADHM O=C(c1cccc(-c2ccccc2)c1[O-])N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001148866983 904235731 /nfs/dbraw/zinc/23/57/31/904235731.db2.gz JELRCBHUIQCSBQ-XZOQPEGZSA-N -1 3 399.494 3.943 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001148940934 904251955 /nfs/dbraw/zinc/25/19/55/904251955.db2.gz VXUQUCGXFJOUNR-UHFFFAOYSA-N -1 3 383.363 3.505 20 0 GHADHM CC[C@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)Oc1cccc(F)c1 ZINC001148977490 904269745 /nfs/dbraw/zinc/26/97/45/904269745.db2.gz FOZUGDCGALYYOY-GFCCVEGCSA-N -1 3 390.361 3.533 20 0 GHADHM Cc1noc([C@@H]2CCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000579145629 904374721 /nfs/dbraw/zinc/37/47/21/904374721.db2.gz GGHRKVSPUKITBG-IBGZPJMESA-N -1 3 377.444 3.846 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)s1 ZINC000290787980 914819843 /nfs/dbraw/zinc/81/98/43/914819843.db2.gz XCNZBYZZTGMGEY-YPMHNXCESA-N -1 3 391.459 3.526 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1[O-] ZINC000579358197 904540047 /nfs/dbraw/zinc/54/00/47/904540047.db2.gz LJRKPBPKMFUPAW-HIFRSBDPSA-N -1 3 395.459 3.742 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000579451482 904619103 /nfs/dbraw/zinc/61/91/03/904619103.db2.gz WTYCZWNRHLCZMZ-XOKHGSTOSA-N -1 3 375.494 3.654 20 0 GHADHM COC(=O)CCc1csc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000889608637 904665156 /nfs/dbraw/zinc/66/51/56/904665156.db2.gz CJOGRGCMWKJWIG-UHFFFAOYSA-N -1 3 399.803 3.630 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cccc4n[n-]nc43)ccc21 ZINC000187784396 904837284 /nfs/dbraw/zinc/83/72/84/904837284.db2.gz UYNNLIKCAPBVQK-UHFFFAOYSA-N -1 3 393.447 3.898 20 0 GHADHM COc1ccc(NCc2cscc2Br)cc1[N-]S(C)(=O)=O ZINC000796333490 914861268 /nfs/dbraw/zinc/86/12/68/914861268.db2.gz XMWFGRDDLVYLBG-UHFFFAOYSA-N -1 3 391.312 3.503 20 0 GHADHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000189432761 905064254 /nfs/dbraw/zinc/06/42/54/905064254.db2.gz XYASUMXLKKQTAG-UHFFFAOYSA-N -1 3 386.267 3.527 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@@H]1CCCOC1 ZINC000174156855 905212022 /nfs/dbraw/zinc/21/20/22/905212022.db2.gz IESPYHMJQMMKGF-ZDUSSCGKSA-N -1 3 387.480 3.649 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766233 905662123 /nfs/dbraw/zinc/66/21/23/905662123.db2.gz MFICWPAABUPCED-INIZCTEOSA-N -1 3 394.899 3.572 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC4(CCCC4)[C@H]3C(C)C)c(=O)c2c(OC)c1 ZINC000627700106 905712438 /nfs/dbraw/zinc/71/24/38/905712438.db2.gz UAZNBIZIPMEARN-HXUWFJFHSA-N -1 3 384.476 3.586 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2F)n1 ZINC000176068480 905745515 /nfs/dbraw/zinc/74/55/15/905745515.db2.gz MTLHKGPOFJSXPW-UHFFFAOYSA-N -1 3 397.454 3.570 20 0 GHADHM COc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1OCc1ccccc1 ZINC000901500956 921177368 /nfs/dbraw/zinc/17/73/68/921177368.db2.gz JRMCSUSEPOYDRZ-IBGZPJMESA-N -1 3 381.472 3.961 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000176261776 905800059 /nfs/dbraw/zinc/80/00/59/905800059.db2.gz BSMWOMWWXQSWSO-UHFFFAOYSA-N -1 3 398.513 3.665 20 0 GHADHM Cc1ccc(O)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000176627908 905900551 /nfs/dbraw/zinc/90/05/51/905900551.db2.gz ZSZKCABVXPMEQA-UHFFFAOYSA-N -1 3 388.851 3.551 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@@H](C4CCCCC4)C3)c(=O)c2c(OC)c1 ZINC000628075970 905929808 /nfs/dbraw/zinc/92/98/08/905929808.db2.gz JNCIBRSDWFCKKT-OAHLLOKOSA-N -1 3 384.476 3.588 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cnc(-c3c(F)cccc3F)s2)n1 ZINC000628375039 906079403 /nfs/dbraw/zinc/07/94/03/906079403.db2.gz WFOKQQJZHHLAGT-UHFFFAOYSA-N -1 3 376.432 3.917 20 0 GHADHM CC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1OCC(=O)N(C)C ZINC000190795096 906320250 /nfs/dbraw/zinc/32/02/50/906320250.db2.gz URAHVRQDMHDQND-MRXNPFEDSA-N -1 3 394.874 3.893 20 0 GHADHM CSc1cc(C(=O)[N-]NC(=O)NCc2ccccc2)c(Cl)cc1Cl ZINC000190877838 906379298 /nfs/dbraw/zinc/37/92/98/906379298.db2.gz NIHNVDKWIFAXEW-UHFFFAOYSA-N -1 3 384.288 3.860 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000629245873 906620443 /nfs/dbraw/zinc/62/04/43/906620443.db2.gz KFFHZWMKTSZCGQ-YPMHNXCESA-N -1 3 376.250 3.879 20 0 GHADHM C[C@@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000629332759 906718562 /nfs/dbraw/zinc/71/85/62/906718562.db2.gz MELIJQUUDCNWSR-CQSZACIVSA-N -1 3 384.501 3.836 20 0 GHADHM CCOCc1nnc([N-]Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)o1 ZINC000181850164 907091110 /nfs/dbraw/zinc/09/11/10/907091110.db2.gz QQRVZCLRFPCEGS-UHFFFAOYSA-N -1 3 387.465 3.668 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC000366045463 921294379 /nfs/dbraw/zinc/29/43/79/921294379.db2.gz SLQDMOBVIDOBLV-UHFFFAOYSA-N -1 3 394.403 3.541 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)c(=O)[n-]1 ZINC000182248960 907170153 /nfs/dbraw/zinc/17/01/53/907170153.db2.gz QZJQWPTZEBLALY-SFHVURJKSA-N -1 3 379.863 3.625 20 0 GHADHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc2c(c1)CCO2 ZINC000182726976 907257699 /nfs/dbraw/zinc/25/76/99/907257699.db2.gz WVFXXOMNRJJCME-MRXNPFEDSA-N -1 3 376.478 3.565 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2nc(Br)cs2)c1 ZINC000191849307 907275784 /nfs/dbraw/zinc/27/57/84/907275784.db2.gz KIPXEXHBHZZLGA-UHFFFAOYSA-N -1 3 375.631 3.598 20 0 GHADHM Cc1cc(Br)c(CNC2([C@H](C)C(=O)[O-])CC2)cc1Br ZINC000630461534 907291935 /nfs/dbraw/zinc/29/19/35/907291935.db2.gz BQXPEYKDNAPVFI-SECBINFHSA-N -1 3 391.103 3.863 20 0 GHADHM COC(=O)c1cc(Br)c(Nc2c(F)cc([O-])cc2F)cc1OC ZINC001175100394 907358268 /nfs/dbraw/zinc/35/82/68/907358268.db2.gz RPWNNWQYBNLYHD-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM Nc1ccccc1S(=O)(=O)[N-]c1cc(F)c(OCc2ccccc2)cc1F ZINC001175155016 907381391 /nfs/dbraw/zinc/38/13/91/907381391.db2.gz HOLISOSHSRXFPT-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000630765798 907397799 /nfs/dbraw/zinc/39/77/99/907397799.db2.gz JAHUIFAIVAVKII-GASCZTMLSA-N -1 3 388.895 3.836 20 0 GHADHM NC(=O)c1sc(-c2ccc(F)cc2)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427582 907546685 /nfs/dbraw/zinc/54/66/85/907546685.db2.gz DNZJGEQPHUXMLM-UHFFFAOYSA-N -1 3 380.408 3.577 20 0 GHADHM Brc1ccc(-n2nccc2Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428296 907548693 /nfs/dbraw/zinc/54/86/93/907548693.db2.gz XAFSIKYOUBRSNU-UHFFFAOYSA-N -1 3 382.225 3.559 20 0 GHADHM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1 ZINC001175544092 907585214 /nfs/dbraw/zinc/58/52/14/907585214.db2.gz AFBRMWJUNORMLC-UHFFFAOYSA-N -1 3 382.869 3.678 20 0 GHADHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185775984 907834036 /nfs/dbraw/zinc/83/40/36/907834036.db2.gz CYLFJRBANQWRFT-UHFFFAOYSA-N -1 3 378.432 3.753 20 0 GHADHM CCOC(=O)C1CCN(Cc2cccc(Nc3csc(C(=O)[O-])c3)c2)CC1 ZINC001176438986 908092270 /nfs/dbraw/zinc/09/22/70/908092270.db2.gz JIWGFQDRZZYWHO-UHFFFAOYSA-N -1 3 388.489 3.965 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cn2)c([O-])c1 ZINC001177158587 908436663 /nfs/dbraw/zinc/43/66/63/908436663.db2.gz HCZOKJSNVCEIFU-UHFFFAOYSA-N -1 3 396.365 3.943 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)[n-]1 ZINC001177690284 908712442 /nfs/dbraw/zinc/71/24/42/908712442.db2.gz YLQOMIIBLZSNFY-GFCCVEGCSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)c[n-]1 ZINC001177690284 908712450 /nfs/dbraw/zinc/71/24/50/908712450.db2.gz YLQOMIIBLZSNFY-GFCCVEGCSA-N -1 3 397.456 3.621 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@@]1(C)C(=O)[O-] ZINC000634693609 908803044 /nfs/dbraw/zinc/80/30/44/908803044.db2.gz HKVIPFNJRVVQHN-PIGZYNQJSA-N -1 3 379.254 3.647 20 0 GHADHM COc1cc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)ccc1OCc1ccncc1 ZINC000192726206 908817363 /nfs/dbraw/zinc/81/73/63/908817363.db2.gz HEAGXSWKGMOQCK-HZPDHXFCSA-N -1 3 394.475 3.885 20 0 GHADHM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000634832424 908839956 /nfs/dbraw/zinc/83/99/56/908839956.db2.gz CWWDATTTYSIFOF-XXBNENTESA-N -1 3 388.552 3.779 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cccc(CC)c1[O-])c1ccc(F)cc1F ZINC001178026959 908878831 /nfs/dbraw/zinc/87/88/31/908878831.db2.gz GGSPYYLAZDURSV-QGZVFWFLSA-N -1 3 377.387 3.657 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000779929792 909085305 /nfs/dbraw/zinc/08/53/05/909085305.db2.gz IZTNPPXUPDVISI-HNNXBMFYSA-N -1 3 378.806 3.662 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@@H]1C(=O)Nc1ccc(F)c([O-])c1 ZINC001178685302 909184280 /nfs/dbraw/zinc/18/42/80/909184280.db2.gz KWCKLXLYRXIFGB-BXKDBHETSA-N -1 3 392.349 3.658 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)OCc3noc(-c4ccccc4[O-])n3)cc2)n1 ZINC000780005639 909267702 /nfs/dbraw/zinc/26/77/02/909267702.db2.gz VDLYOASYNOUISA-UHFFFAOYSA-N -1 3 390.399 3.602 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)n1 ZINC000636109756 909430324 /nfs/dbraw/zinc/43/03/24/909430324.db2.gz HWOWHTZMOAZFQP-WBVHZDCISA-N -1 3 377.529 3.998 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](n2ccnn2)CC1 ZINC000636190587 909487114 /nfs/dbraw/zinc/48/71/14/909487114.db2.gz SPEDSZMOCPRPFX-HXUWFJFHSA-N -1 3 390.487 3.636 20 0 GHADHM Cc1nc(CSc2ccccc2C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cs1 ZINC000636283624 909518981 /nfs/dbraw/zinc/51/89/81/909518981.db2.gz MYGOWTGIAXDELP-UHFFFAOYSA-N -1 3 398.513 3.704 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317147 909534009 /nfs/dbraw/zinc/53/40/09/909534009.db2.gz AXQKQZKOZOLJLW-JTQLQIEISA-N -1 3 396.274 3.840 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318997 909538004 /nfs/dbraw/zinc/53/80/04/909538004.db2.gz ILGSCRZLAQVTFH-HNNXBMFYSA-N -1 3 375.856 3.577 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000636318691 909538094 /nfs/dbraw/zinc/53/80/94/909538094.db2.gz DVJKTTUUNNRNED-NRFANRHFSA-N -1 3 389.455 3.886 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2cccc(Oc3ccccc3F)c2)CCOCC1 ZINC000901709777 921503938 /nfs/dbraw/zinc/50/39/38/921503938.db2.gz CAXMKEOGXRPFQN-UHFFFAOYSA-N -1 3 395.452 3.555 20 0 GHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1c(F)cccc1-n1cccn1 ZINC000795316600 909850599 /nfs/dbraw/zinc/85/05/99/909850599.db2.gz CQQYLQJWGRSZON-UHFFFAOYSA-N -1 3 379.844 3.649 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1CCC(C)C ZINC000268982660 910092554 /nfs/dbraw/zinc/09/25/54/910092554.db2.gz KJLUGLRJHFQQOJ-GOSISDBHSA-N -1 3 382.508 3.912 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)c([O-])c1 ZINC001180589954 910257802 /nfs/dbraw/zinc/25/78/02/910257802.db2.gz WNVIFBRNGNEWTN-UHFFFAOYSA-N -1 3 381.432 3.795 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[N-]OCCOc2ccccc2)cc1 ZINC001180639898 910281051 /nfs/dbraw/zinc/28/10/51/910281051.db2.gz QBIQOTMURICFNG-UHFFFAOYSA-N -1 3 386.448 3.703 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1cccc(F)c1C(F)(F)F ZINC001181678018 910918663 /nfs/dbraw/zinc/91/86/63/910918663.db2.gz CEPZMDGAYZAZOS-UHFFFAOYSA-N -1 3 389.276 3.657 20 0 GHADHM O=C(Cc1ccc(Cl)cc1C(F)(F)F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001181700557 910949227 /nfs/dbraw/zinc/94/92/27/910949227.db2.gz QSYBMASYWAWBSL-UHFFFAOYSA-N -1 3 397.740 3.894 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@H]1c1cccc(F)c1 ZINC000640295407 910957443 /nfs/dbraw/zinc/95/74/43/910957443.db2.gz VRSVWPGHRHCGGF-LBPRGKRZSA-N -1 3 376.741 3.639 20 0 GHADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297340 910958502 /nfs/dbraw/zinc/95/85/02/910958502.db2.gz CCRTUXQQWSCGRA-MRVPVSSYSA-N -1 3 392.731 3.715 20 0 GHADHM CSc1ccc(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640303351 910961948 /nfs/dbraw/zinc/96/19/48/910961948.db2.gz YFHXYKMZQDJXMW-UHFFFAOYSA-N -1 3 392.834 3.607 20 0 GHADHM O=C1C[C@@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CN1C1CC1 ZINC000273895477 911091807 /nfs/dbraw/zinc/09/18/07/911091807.db2.gz LUKOVXMKBMRGSR-MRXNPFEDSA-N -1 3 375.428 3.511 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000274150705 911242225 /nfs/dbraw/zinc/24/22/25/911242225.db2.gz FWBYEJCPAPTWFT-KRWDZBQOSA-N -1 3 377.828 3.894 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000274150705 911242237 /nfs/dbraw/zinc/24/22/37/911242237.db2.gz FWBYEJCPAPTWFT-KRWDZBQOSA-N -1 3 377.828 3.894 20 0 GHADHM COc1cc(F)c(F)cc1-c1noc(-c2cnc(-c3ccccc3)[n-]c2=O)n1 ZINC001212895027 911407223 /nfs/dbraw/zinc/40/72/23/911407223.db2.gz HCHWOHDDQFOHGA-UHFFFAOYSA-N -1 3 382.326 3.853 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000642191966 911850735 /nfs/dbraw/zinc/85/07/35/911850735.db2.gz MBULNHIOZCDOEJ-UHFFFAOYSA-N -1 3 398.488 3.658 20 0 GHADHM CC1CCC(N(C(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)C2CC2)CC1 ZINC000642328961 911985567 /nfs/dbraw/zinc/98/55/67/911985567.db2.gz JVKWILFZWUIYSZ-UHFFFAOYSA-N -1 3 398.547 3.857 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)C1(c2ccccc2)CCC(=O)CC1 ZINC001182883288 912100278 /nfs/dbraw/zinc/10/02/78/912100278.db2.gz VTZPPGCTADZGRZ-UHFFFAOYSA-N -1 3 389.249 3.569 20 0 GHADHM CN(Cc1sc2ccccc2c1Cl)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182969664 912157816 /nfs/dbraw/zinc/15/78/16/912157816.db2.gz MZMZVOQRSAZEMW-UHFFFAOYSA-N -1 3 388.876 3.649 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1F)c1ccc(F)c(Br)c1 ZINC001186973605 914927640 /nfs/dbraw/zinc/92/76/40/914927640.db2.gz DTYCSMPKIQZDCF-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)c3ccccc3-c3nnn[n-]3)C2)cc1 ZINC001187008011 914937924 /nfs/dbraw/zinc/93/79/24/914937924.db2.gz AQTISFPFZINTFU-INIZCTEOSA-N -1 3 391.475 3.674 20 0 GHADHM CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)c3ccccc3-c3nn[n-]n3)C2)cc1 ZINC001187008011 914937937 /nfs/dbraw/zinc/93/79/37/914937937.db2.gz AQTISFPFZINTFU-INIZCTEOSA-N -1 3 391.475 3.674 20 0 GHADHM COc1ccc(C=C(C)C(=O)Nc2cc(=O)[n-]c(C)n2)cc1OC1CCCC1 ZINC001187559335 915325884 /nfs/dbraw/zinc/32/58/84/915325884.db2.gz IYJAUCWAYQNHCF-JLHYYAGUSA-N -1 3 383.448 3.863 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccnc(-c4cccc(Cl)c4)n3)C2)n1 ZINC001187600774 915358597 /nfs/dbraw/zinc/35/85/97/915358597.db2.gz ZHAHBLTYVWPFNI-MRXNPFEDSA-N -1 3 396.882 3.682 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)c(C)cc3c2)ccc1OC(C)C ZINC000647919718 915439274 /nfs/dbraw/zinc/43/92/74/915439274.db2.gz OIMHFVZWPPRLPL-UHFFFAOYSA-N -1 3 386.473 3.733 20 0 GHADHM COC(=O)c1cnc(NCCc2c(F)cc([O-])cc2F)c(C(F)(F)F)c1 ZINC001187708143 915466675 /nfs/dbraw/zinc/46/66/75/915466675.db2.gz CAGJTZBHYRIBLL-UHFFFAOYSA-N -1 3 376.281 3.525 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC001187801444 915521797 /nfs/dbraw/zinc/52/17/97/915521797.db2.gz SBDHBJVIWOYWLA-UWVGGRQHSA-N -1 3 387.370 3.620 20 0 GHADHM CC(C)C1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC001188007409 915686467 /nfs/dbraw/zinc/68/64/67/915686467.db2.gz BWFFJBBZHRYMCE-UHFFFAOYSA-N -1 3 395.750 3.991 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432019 915698973 /nfs/dbraw/zinc/69/89/73/915698973.db2.gz MTVSNMCAWBMHOW-SECBINFHSA-N -1 3 380.197 3.991 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)N(C)C)cc1 ZINC000292584146 915752035 /nfs/dbraw/zinc/75/20/35/915752035.db2.gz MBJUIOIWUGOOIU-OAQYLSRUSA-N -1 3 393.487 3.760 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC001188097931 915756111 /nfs/dbraw/zinc/75/61/11/915756111.db2.gz QQSOHCMLKIOHNU-MRXNPFEDSA-N -1 3 397.283 3.554 20 0 GHADHM CCc1cc([N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)ccn1 ZINC001188176075 915795221 /nfs/dbraw/zinc/79/52/21/915795221.db2.gz ZCUOYYHBLJMRTQ-UHFFFAOYSA-N -1 3 393.896 3.959 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl)c1cncnc1 ZINC001188194164 915803858 /nfs/dbraw/zinc/80/38/58/915803858.db2.gz NSUGOGNUQHGFDP-SNVBAGLBSA-N -1 3 394.884 3.608 20 0 GHADHM COc1ccc(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000360187172 915986560 /nfs/dbraw/zinc/98/65/60/915986560.db2.gz KHXGUNDXFOVESV-UHFFFAOYSA-N -1 3 398.846 3.696 20 0 GHADHM CC[C@H](C)N1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686774 916003606 /nfs/dbraw/zinc/00/36/06/916003606.db2.gz PNIXBOCPIVFJHS-AWEZNQCLSA-N -1 3 378.900 3.689 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCC(F)CC1 ZINC000649149527 916042085 /nfs/dbraw/zinc/04/20/85/916042085.db2.gz QEEXDEPTOUNKOM-VFIGECHUSA-N -1 3 398.478 3.898 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1nccc(Cl)c1I ZINC001188638036 916095908 /nfs/dbraw/zinc/09/59/08/916095908.db2.gz GYPBCTIOEACXRG-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(Cc4cccs4)CC3)c2c1 ZINC000649383207 916131156 /nfs/dbraw/zinc/13/11/56/916131156.db2.gz CITVUVRQIZMRQE-UHFFFAOYSA-N -1 3 381.501 3.934 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188742067 916171612 /nfs/dbraw/zinc/17/16/12/916171612.db2.gz KFAOGUKOHKEBJZ-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1ccc(Oc2cccnc2)cc1 ZINC001188859726 916235612 /nfs/dbraw/zinc/23/56/12/916235612.db2.gz LLRVEMBUZGFOEA-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COc1cc(CNCc2c(F)ccc([O-])c2F)cc(Br)c1OC ZINC000293608959 916290023 /nfs/dbraw/zinc/29/00/23/916290023.db2.gz LPTIYGPXWIDXNI-UHFFFAOYSA-N -1 3 388.208 3.740 20 0 GHADHM Cc1cc(Br)cc2c1CN(C(=O)c1nnc3ccccc3c1[O-])CC2 ZINC000775210757 916309591 /nfs/dbraw/zinc/30/95/91/916309591.db2.gz NCRCTPBNBXNXBD-UHFFFAOYSA-N -1 3 398.260 3.605 20 0 GHADHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1(C)C ZINC001188970600 916318066 /nfs/dbraw/zinc/31/80/66/916318066.db2.gz YWHQDYROTPJQNQ-STQMWFEESA-N -1 3 388.942 3.820 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)c1 ZINC001189239826 916487729 /nfs/dbraw/zinc/48/77/29/916487729.db2.gz VPHCBTFCUQUDPX-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c(-n2cccc2)s1 ZINC001189301508 916519909 /nfs/dbraw/zinc/51/99/09/916519909.db2.gz CCTLWFKPPSYKDI-UHFFFAOYSA-N -1 3 391.456 3.643 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(F)c1F ZINC001189388524 916583849 /nfs/dbraw/zinc/58/38/49/916583849.db2.gz KMKKNNRALAWIKR-UHFFFAOYSA-N -1 3 395.358 3.845 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC001189532052 916727302 /nfs/dbraw/zinc/72/73/02/916727302.db2.gz VGZJXFAPBCTWSG-UHFFFAOYSA-N -1 3 375.343 3.989 20 0 GHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3F)cc21 ZINC000650217739 916808828 /nfs/dbraw/zinc/80/88/28/916808828.db2.gz UXCWFJHPEGOEEI-UHFFFAOYSA-N -1 3 398.406 3.863 20 0 GHADHM Nc1cc(Cl)nc(Cl)c1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189749798 916871301 /nfs/dbraw/zinc/87/13/01/916871301.db2.gz WVUUDIULLQRXDM-UHFFFAOYSA-N -1 3 382.125 3.827 20 0 GHADHM CN1Cc2cc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])ccc2N(C)C1=O ZINC001189766811 916904185 /nfs/dbraw/zinc/90/41/85/916904185.db2.gz SMDLLWJIOZPUHV-UHFFFAOYSA-N -1 3 395.337 3.545 20 0 GHADHM COc1cccnc1[C@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001189774856 916910237 /nfs/dbraw/zinc/91/02/37/916910237.db2.gz GPBLNNPKFIIRNQ-CQSZACIVSA-N -1 3 382.338 3.576 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(OC(F)(F)F)ccc1F ZINC001189823413 916947019 /nfs/dbraw/zinc/94/70/19/916947019.db2.gz GHBFMBFPDMHLCL-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM O=S(=O)(CCCF)[N-]c1ccc(Br)c(C(F)(F)F)c1F ZINC001189915144 916987626 /nfs/dbraw/zinc/98/76/26/916987626.db2.gz HKLWAJISQXASMG-UHFFFAOYSA-N -1 3 382.148 3.708 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CN1CCCC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000650505490 917043843 /nfs/dbraw/zinc/04/38/43/917043843.db2.gz FVSJNQKMHWNVCH-ROUUACIJSA-N -1 3 378.488 3.748 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189986864 917046347 /nfs/dbraw/zinc/04/63/47/917046347.db2.gz YTEGGIRLKCHBEV-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001190029047 917064233 /nfs/dbraw/zinc/06/42/33/917064233.db2.gz NDZOHCGOSIRPFT-UHFFFAOYSA-N -1 3 382.169 3.722 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C2CCC2)cn1 ZINC000294973430 917076547 /nfs/dbraw/zinc/07/65/47/917076547.db2.gz YZBGEFAQPDNZGP-UHFFFAOYSA-N -1 3 389.459 3.786 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1ccc(OC)nc1OC ZINC001190241393 917205204 /nfs/dbraw/zinc/20/52/04/917205204.db2.gz QFJDEFDNNDXVRS-UHFFFAOYSA-N -1 3 390.779 3.537 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Nc2cccc3nsnc32)c([O-])c1 ZINC001190311098 917235639 /nfs/dbraw/zinc/23/56/39/917235639.db2.gz QIANLJGFYULUPT-UHFFFAOYSA-N -1 3 386.433 3.996 20 0 GHADHM O=C(NCc1ncccc1[O-])c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001190439137 917339472 /nfs/dbraw/zinc/33/94/72/917339472.db2.gz LAVNLMZNBJSGML-UHFFFAOYSA-N -1 3 393.390 3.783 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(-c3ccccc3OC)s2)c(C(F)(F)F)n1 ZINC000295657678 917401511 /nfs/dbraw/zinc/40/15/11/917401511.db2.gz QIWFJJGLFBIDRR-UHFFFAOYSA-N -1 3 397.382 3.701 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC001190574468 917418111 /nfs/dbraw/zinc/41/81/11/917418111.db2.gz CMIZUTQVMGURPJ-UHFFFAOYSA-N -1 3 378.406 3.755 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](C)c2ccccc21 ZINC001190592387 917435433 /nfs/dbraw/zinc/43/54/33/917435433.db2.gz GRAGLLMIRYRNHG-ZBEGNZNMSA-N -1 3 379.865 3.653 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ncc(C(F)(F)F)cc1Cl ZINC001190637423 917468266 /nfs/dbraw/zinc/46/82/66/917468266.db2.gz ZHGITNTVXQVXLR-UHFFFAOYSA-N -1 3 396.550 3.869 20 0 GHADHM CC(C)Oc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC000651165848 917480497 /nfs/dbraw/zinc/48/04/97/917480497.db2.gz WUAKWSFHQOXJCD-UHFFFAOYSA-N -1 3 393.163 3.626 20 0 GHADHM CC(C)Oc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000651165848 917480502 /nfs/dbraw/zinc/48/05/02/917480502.db2.gz WUAKWSFHQOXJCD-UHFFFAOYSA-N -1 3 393.163 3.626 20 0 GHADHM COc1cc(C(=O)Nc2ncc([O-])cc2Br)ccc1C(F)(F)F ZINC001190795811 917570208 /nfs/dbraw/zinc/57/02/08/917570208.db2.gz HXYWRJKETRNIGX-UHFFFAOYSA-N -1 3 391.143 3.829 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910709 917660348 /nfs/dbraw/zinc/66/03/48/917660348.db2.gz WOLSLTPRIIEIES-BNOWGMLFSA-N -1 3 380.872 3.556 20 0 GHADHM CCc1c2ccccc2oc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000295968114 917674159 /nfs/dbraw/zinc/67/41/59/917674159.db2.gz IFYNTVJPGZFOQZ-LBPRGKRZSA-N -1 3 382.382 3.526 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296062038 917810042 /nfs/dbraw/zinc/81/00/42/917810042.db2.gz NONKAUUSMXRCEU-SECBINFHSA-N -1 3 380.286 3.631 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3C)cc1 ZINC001191253840 917850051 /nfs/dbraw/zinc/85/00/51/917850051.db2.gz PJBPIRZGBINWTC-UHFFFAOYSA-N -1 3 387.505 3.832 20 0 GHADHM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCCCC1CCOCC1 ZINC000652490193 917909021 /nfs/dbraw/zinc/90/90/21/917909021.db2.gz ZXHXDCANKXAPNU-GOSISDBHSA-N -1 3 396.325 3.857 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2Br)c1F ZINC001191378406 917940530 /nfs/dbraw/zinc/94/05/30/917940530.db2.gz AAFZXOYHBWRBAN-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1n[nH]cc1-c1ccccn1 ZINC001191483240 918015046 /nfs/dbraw/zinc/01/50/46/918015046.db2.gz FGDIJQFTZYHXDQ-UHFFFAOYSA-N -1 3 396.790 3.910 20 0 GHADHM O=C(NC1CC2(CCC2)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000652975030 918071388 /nfs/dbraw/zinc/07/13/88/918071388.db2.gz CTBCCHCINASKQM-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4c(s3)CCOC4)c2)n1 ZINC000363360475 918143854 /nfs/dbraw/zinc/14/38/54/918143854.db2.gz INHKFTGFLQNNMW-UHFFFAOYSA-N -1 3 381.457 3.798 20 0 GHADHM O=c1[nH]cc(-c2ccncc2)cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866342 918269539 /nfs/dbraw/zinc/26/95/39/918269539.db2.gz PTFBVMRXBQJVAF-UHFFFAOYSA-N -1 3 393.827 3.584 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1nc(F)ccc1Br ZINC001191872117 918275036 /nfs/dbraw/zinc/27/50/36/918275036.db2.gz BOIFGEABGAYBCW-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)cc3)ccc2c1 ZINC001191934208 918307609 /nfs/dbraw/zinc/30/76/09/918307609.db2.gz UIRRHLFMXXIFJM-UHFFFAOYSA-N -1 3 379.441 3.835 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000296509638 918342488 /nfs/dbraw/zinc/34/24/88/918342488.db2.gz ZGZKAKDNNDVNJD-UHFFFAOYSA-N -1 3 389.399 3.577 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000296509638 918342508 /nfs/dbraw/zinc/34/25/08/918342508.db2.gz ZGZKAKDNNDVNJD-UHFFFAOYSA-N -1 3 389.399 3.577 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000297152381 919104570 /nfs/dbraw/zinc/10/45/70/919104570.db2.gz VNVJPAKZNJOUQG-HNNXBMFYSA-N -1 3 399.491 3.850 20 0 GHADHM CCN(c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1)C(C)C ZINC000119397099 919627127 /nfs/dbraw/zinc/62/71/27/919627127.db2.gz DQTZEXQVROPVNT-HXUWFJFHSA-N -1 3 395.503 3.870 20 0 GHADHM CCc1[nH]nc(Cl)c1CN[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000900030698 919763712 /nfs/dbraw/zinc/76/37/12/919763712.db2.gz GKIVXULFGWGGHP-ZDUSSCGKSA-N -1 3 376.671 3.718 20 0 GHADHM O=C([O-])[C@@H](CNCc1cc(Br)cnc1Cl)CC1CCCC1 ZINC000900083643 919820999 /nfs/dbraw/zinc/82/09/99/919820999.db2.gz KELBXXLAVPZOHC-GFCCVEGCSA-N -1 3 375.694 3.868 20 0 GHADHM COc1cc(C[NH2+]C[C@@H](CC2CCCC2)C(=O)[O-])cc(Br)c1[O-] ZINC000900083721 919821654 /nfs/dbraw/zinc/82/16/54/919821654.db2.gz LOKGORYEXAQKFP-CYBMUJFWSA-N -1 3 386.286 3.534 20 0 GHADHM CCCN(Cc1ccccc1Br)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900132789 919896862 /nfs/dbraw/zinc/89/68/62/919896862.db2.gz DPCMYBSKXIWPFE-UHFFFAOYSA-N -1 3 390.281 3.875 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](COCc4ccccc4)C3)nc2)n1 ZINC000364828452 920058960 /nfs/dbraw/zinc/05/89/60/920058960.db2.gz DRUXEGATFSUCKV-GOSISDBHSA-N -1 3 390.487 3.850 20 0 GHADHM CSc1ccccc1[C@@H](C)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000800442009 920087464 /nfs/dbraw/zinc/08/74/64/920087464.db2.gz YGOBEIFGJCFXKM-LLVKDONJSA-N -1 3 383.466 3.837 20 0 GHADHM Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800646651 920334739 /nfs/dbraw/zinc/33/47/39/920334739.db2.gz BZPQPQWPQXEIRS-WOJGMQOQSA-N -1 3 395.438 3.761 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2ccc(CSc3nccn3C)o2)s1 ZINC000298328652 920404893 /nfs/dbraw/zinc/40/48/93/920404893.db2.gz OGGYJOXERNBBOL-UHFFFAOYSA-N -1 3 377.495 3.752 20 0 GHADHM CCN(Cc1cccc(Br)c1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000298358179 920442989 /nfs/dbraw/zinc/44/29/89/920442989.db2.gz JTQHSKVCGXIPCY-UHFFFAOYSA-N -1 3 392.297 3.543 20 0 GHADHM COc1cc([C@H](C)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc2ccccc21 ZINC000900839136 920649117 /nfs/dbraw/zinc/64/91/17/920649117.db2.gz RHCJDAWBKYOOOP-ZDUSSCGKSA-N -1 3 379.460 3.771 20 0 GHADHM C[C@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC1CC1 ZINC000298892547 921035057 /nfs/dbraw/zinc/03/50/57/921035057.db2.gz YDTYJCRIEJWRQR-VIFPVBQESA-N -1 3 375.475 3.557 20 0 GHADHM O=C([O-])c1nn(-c2ccccc2)cc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000901436450 921104319 /nfs/dbraw/zinc/10/43/19/921104319.db2.gz SPVLJOKSYYEKAD-IBGZPJMESA-N -1 3 391.471 3.609 20 0 GHADHM O=C([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(C2CC2)no1 ZINC000366936301 921826513 /nfs/dbraw/zinc/82/65/13/921826513.db2.gz NDWADMANXGSAJK-UHFFFAOYSA-N -1 3 381.411 3.928 20 0 GHADHM CCOc1cc(CN2CCCCC[C@H]2C(=O)[O-])cc(Br)c1OC ZINC000902039545 921830500 /nfs/dbraw/zinc/83/05/00/921830500.db2.gz YTYGKMWGJFKWQB-AWEZNQCLSA-N -1 3 386.286 3.686 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000902143355 921914620 /nfs/dbraw/zinc/91/46/20/921914620.db2.gz NXDHQTSAVXSAPT-APWZRJJASA-N -1 3 385.460 3.591 20 0 GHADHM C[C@@]1(c2cccc(F)c2)CCN(Cc2cn(-c3ccccc3)nc2C(=O)[O-])C1 ZINC000902347666 922109647 /nfs/dbraw/zinc/10/96/47/922109647.db2.gz GZBDRNWYKHOSIT-JOCHJYFZSA-N -1 3 379.435 3.873 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C[C@@H](C)O)c3ccccc3)nc2)n1 ZINC000368120289 922487610 /nfs/dbraw/zinc/48/76/10/922487610.db2.gz AQGQUQRHSYISKC-QAPCUYQASA-N -1 3 378.476 3.773 20 0 GHADHM CC(C)(C)OCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000802892404 922502909 /nfs/dbraw/zinc/50/29/09/922502909.db2.gz NFCZZHPFADRVER-UHFFFAOYSA-N -1 3 377.222 3.531 20 0 GHADHM CC1(O)CCC([N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000902893509 922584384 /nfs/dbraw/zinc/58/43/84/922584384.db2.gz XGWJFZJUGMXWKE-UHFFFAOYSA-N -1 3 386.748 3.655 20 0 GHADHM COCc1c(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)sc2cccc(F)c21 ZINC000368391853 922642716 /nfs/dbraw/zinc/64/27/16/922642716.db2.gz GNMPLCKVMNEYTE-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM O=C(OCc1nc2cc(Br)ccc2o1)c1cc(-c2ccco2)[n-]n1 ZINC000803271536 922843903 /nfs/dbraw/zinc/84/39/03/922843903.db2.gz ADCBVYQSYXNFBC-UHFFFAOYSA-N -1 3 388.177 3.930 20 0 GHADHM O=C(OCc1nc2cc(Br)ccc2o1)c1cc(-c2ccco2)n[n-]1 ZINC000803271536 922843911 /nfs/dbraw/zinc/84/39/11/922843911.db2.gz ADCBVYQSYXNFBC-UHFFFAOYSA-N -1 3 388.177 3.930 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903627376 923135542 /nfs/dbraw/zinc/13/55/42/923135542.db2.gz OEMMZBVPSIEQHX-INIZCTEOSA-N -1 3 384.329 3.906 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(CNC(=O)OCc3ccccc3)CC2)s1 ZINC000903684726 923199504 /nfs/dbraw/zinc/19/95/04/923199504.db2.gz HCGMZSAGCDKXSN-UHFFFAOYSA-N -1 3 388.489 3.585 20 0 GHADHM Cc1cc(Br)ccc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903926167 923402708 /nfs/dbraw/zinc/40/27/08/923402708.db2.gz YYGWSIZSODTFBO-LBPRGKRZSA-N -1 3 381.295 3.902 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903943491 923421656 /nfs/dbraw/zinc/42/16/56/923421656.db2.gz ATUIKTIFQMMYFU-FZMZJTMJSA-N -1 3 385.773 3.764 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000903957278 923435248 /nfs/dbraw/zinc/43/52/48/923435248.db2.gz LMQXLROBZRIUEL-NSHDSACASA-N -1 3 381.295 3.668 20 0 GHADHM COCCO[N-]C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000748777941 923826529 /nfs/dbraw/zinc/82/65/29/923826529.db2.gz XOBKVHSVTBHGCD-UHFFFAOYSA-N -1 3 386.879 3.970 20 0 GHADHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)C1 ZINC000749142424 924045400 /nfs/dbraw/zinc/04/54/00/924045400.db2.gz NUKSOOLFQQMDHH-UHFFFAOYSA-N -1 3 386.517 3.704 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000677147017 924259179 /nfs/dbraw/zinc/25/91/79/924259179.db2.gz AGZXMWBDPNMECA-APHBMKBZSA-N -1 3 381.881 3.631 20 0 GHADHM CCOC(=O)N1[C@@H](C(=O)Nc2cccc([O-])c2F)CC[C@H]1c1ccc(C)o1 ZINC000371305962 924516839 /nfs/dbraw/zinc/51/68/39/924516839.db2.gz QJFCZKJXENODQA-UONOGXRCSA-N -1 3 376.384 3.733 20 0 GHADHM COc1cc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000677876017 924533755 /nfs/dbraw/zinc/53/37/55/924533755.db2.gz ZMYNLLBGKZMMKL-KKSFZXQISA-N -1 3 385.460 3.649 20 0 GHADHM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1c[n-]c2ccccc2c1=O ZINC000679119339 925034271 /nfs/dbraw/zinc/03/42/71/925034271.db2.gz JFRDZKJPIHYCKL-UHFFFAOYSA-N -1 3 382.379 3.984 20 0 GHADHM O=S(=O)([N-]CCCc1c[nH]c2ccc(F)cc12)c1cc(F)c(F)c(F)c1 ZINC000409914978 925124342 /nfs/dbraw/zinc/12/43/42/925124342.db2.gz ZXBGJXKWFLNNDN-UHFFFAOYSA-N -1 3 386.370 3.635 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000410145033 925349320 /nfs/dbraw/zinc/34/93/20/925349320.db2.gz JHFZEIZJIHJWGP-OAHLLOKOSA-N -1 3 377.510 3.915 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000680503942 925498279 /nfs/dbraw/zinc/49/82/79/925498279.db2.gz MYUFAOIRGPGQOB-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)on1 ZINC000681253087 925773652 /nfs/dbraw/zinc/77/36/52/925773652.db2.gz IWZUEJWUKMQKEK-UHFFFAOYSA-N -1 3 384.457 3.508 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC001137442239 925805046 /nfs/dbraw/zinc/80/50/46/925805046.db2.gz XNVDSABTTGHOMV-HNNXBMFYSA-N -1 3 382.476 3.819 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1snc(Cl)c1Cl ZINC001137446324 925824739 /nfs/dbraw/zinc/82/47/39/925824739.db2.gz PMACEAILHGWHEU-UHFFFAOYSA-N -1 3 382.066 3.848 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2cccc3c2CN(c2ccccn2)C3)[n-]1 ZINC000373154731 925894155 /nfs/dbraw/zinc/89/41/55/925894155.db2.gz UUSJEJWPZOQEGC-UHFFFAOYSA-N -1 3 387.365 3.728 20 0 GHADHM COc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000682382465 926092718 /nfs/dbraw/zinc/09/27/18/926092718.db2.gz OOQJNDLSIPMNKV-HNNXBMFYSA-N -1 3 388.895 3.791 20 0 GHADHM CN(C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1C(F)(F)F ZINC001276162855 926373404 /nfs/dbraw/zinc/37/34/04/926373404.db2.gz LHYRLSANHWNXOL-UHFFFAOYSA-N -1 3 375.350 3.865 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc2cnccc21 ZINC000389289329 926385697 /nfs/dbraw/zinc/38/56/97/926385697.db2.gz JZLVDLWDKCMVAV-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2csc(C3CCCC3)n2)ccc1F ZINC000725993339 926523057 /nfs/dbraw/zinc/52/30/57/926523057.db2.gz NSDRGCYDHKDKQW-UHFFFAOYSA-N -1 3 398.481 3.668 20 0 GHADHM CCCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](C)C(=O)OCC ZINC000411649063 926606993 /nfs/dbraw/zinc/60/69/93/926606993.db2.gz OUMMBCGMOQEWTM-LBPRGKRZSA-N -1 3 389.477 3.821 20 0 GHADHM C[C@H](CC(F)F)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000411823842 926817590 /nfs/dbraw/zinc/81/75/90/926817590.db2.gz OTRPPTJDCQDGQH-SSDOTTSWSA-N -1 3 376.176 3.630 20 0 GHADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1ccc(Cl)nc1Cl ZINC000749300109 927042249 /nfs/dbraw/zinc/04/22/49/927042249.db2.gz NYXCDEVXQBBVTL-LBPRGKRZSA-N -1 3 389.329 3.697 20 0 GHADHM CCOc1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1OC(F)F ZINC000412173861 927173622 /nfs/dbraw/zinc/17/36/22/927173622.db2.gz ONSWBOINKARBGX-UHFFFAOYSA-N -1 3 379.359 3.525 20 0 GHADHM CC(C)[C@@H]1CCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000412382311 927394302 /nfs/dbraw/zinc/39/43/02/927394302.db2.gz CQMGGFGTMLSEND-ZDUSSCGKSA-N -1 3 383.673 3.815 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3OCCc4ccccc43)nc(=O)c2c1C ZINC000750055994 927409765 /nfs/dbraw/zinc/40/97/65/927409765.db2.gz PSYHIRYKEZDLCG-MEDUHNTESA-N -1 3 384.457 3.932 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc2ccccc2c1)c1cnc(Cl)c(Cl)c1 ZINC000751153656 928051697 /nfs/dbraw/zinc/05/16/97/928051697.db2.gz HOFNVEIGLUKIOV-INIZCTEOSA-N -1 3 397.283 3.554 20 0 GHADHM CCc1cccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000751388237 928166994 /nfs/dbraw/zinc/16/69/94/928166994.db2.gz GLQOLNHCKXUVLA-AWEZNQCLSA-N -1 3 376.497 3.720 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000751426108 928185868 /nfs/dbraw/zinc/18/58/68/928185868.db2.gz CABRVAPPACMPPB-LBPRGKRZSA-N -1 3 380.680 3.659 20 0 GHADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)o1 ZINC000751449184 928198022 /nfs/dbraw/zinc/19/80/22/928198022.db2.gz WEESKYKGBYFWPR-MRXNPFEDSA-N -1 3 392.304 3.530 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751488362 928217704 /nfs/dbraw/zinc/21/77/04/928217704.db2.gz RQTXHCXKWFCLQS-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751488364 928218033 /nfs/dbraw/zinc/21/80/33/928218033.db2.gz RQTXHCXKWFCLQS-RFAUZJTJSA-N -1 3 378.252 3.533 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000413112748 928220747 /nfs/dbraw/zinc/22/07/47/928220747.db2.gz XVJFJDCRNHAPFQ-SFHVURJKSA-N -1 3 390.505 3.978 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(Cl)c1 ZINC000543861138 928508155 /nfs/dbraw/zinc/50/81/55/928508155.db2.gz CWNXFKBGFDAHCW-UHFFFAOYSA-N -1 3 393.774 3.513 20 0 GHADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000467182708 928799024 /nfs/dbraw/zinc/79/90/24/928799024.db2.gz SGTUIUPLZKAFQB-MRVPVSSYSA-N -1 3 391.191 3.793 20 0 GHADHM CC[C@H](Cc1ccccc1Br)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000467182708 928799026 /nfs/dbraw/zinc/79/90/26/928799026.db2.gz SGTUIUPLZKAFQB-MRVPVSSYSA-N -1 3 391.191 3.793 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000467720303 929338127 /nfs/dbraw/zinc/33/81/27/929338127.db2.gz MFOPCJZYKXGXHS-UHFFFAOYSA-N -1 3 392.365 3.797 20 0 GHADHM Cc1ccc(C(=O)CCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000544718537 929492131 /nfs/dbraw/zinc/49/21/31/929492131.db2.gz IFQPUAWVMATOTO-UHFFFAOYSA-N -1 3 388.489 3.748 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1C ZINC000753725300 929500702 /nfs/dbraw/zinc/50/07/02/929500702.db2.gz LOYOMZWTRHHXPD-AWEZNQCLSA-N -1 3 378.494 3.865 20 0 GHADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)NCc1ncccc1[O-] ZINC000467923277 929593927 /nfs/dbraw/zinc/59/39/27/929593927.db2.gz RNDSBPQMTXKTCY-UHFFFAOYSA-N -1 3 379.464 3.901 20 0 GHADHM O=C(OCC[C@@H]1CCCC1=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757729748 929785223 /nfs/dbraw/zinc/78/52/23/929785223.db2.gz TXGRXGRASGXMQO-NSHDSACASA-N -1 3 377.238 3.755 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000546066735 929821410 /nfs/dbraw/zinc/82/14/10/929821410.db2.gz YARCFOWCCNZRMR-UHFFFAOYSA-N -1 3 377.448 3.803 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000546066735 929821416 /nfs/dbraw/zinc/82/14/16/929821416.db2.gz YARCFOWCCNZRMR-UHFFFAOYSA-N -1 3 377.448 3.803 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000469382021 929837286 /nfs/dbraw/zinc/83/72/86/929837286.db2.gz SKMFTDLUEKRBQB-UHFFFAOYSA-N -1 3 389.814 3.874 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000469405425 929854374 /nfs/dbraw/zinc/85/43/74/929854374.db2.gz HDWGECMUMIMCJR-QGZVFWFLSA-N -1 3 387.377 3.624 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1C ZINC000546179283 929932639 /nfs/dbraw/zinc/93/26/39/929932639.db2.gz CAUREYXJPICEGP-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(C(=O)[N-]c3nc(C4CC4)no3)s2)cc1 ZINC000758295284 930004154 /nfs/dbraw/zinc/00/41/54/930004154.db2.gz AWIKKXHUJPEDJU-UHFFFAOYSA-N -1 3 384.417 3.522 20 0 GHADHM CC(C)COc1ccc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000759266834 930324665 /nfs/dbraw/zinc/32/46/65/930324665.db2.gz FTKDPSIMKNVTNG-UHFFFAOYSA-N -1 3 395.452 3.589 20 0 GHADHM Cc1ccc(C[C@@H](OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C2CC2)cc1 ZINC000759394376 930357287 /nfs/dbraw/zinc/35/72/87/930357287.db2.gz ZXKPGLODNLEEGN-LJQANCHMSA-N -1 3 391.464 3.684 20 0 GHADHM CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000759606172 930423119 /nfs/dbraw/zinc/42/31/19/930423119.db2.gz UKCNIFZTFHVVMZ-CYBMUJFWSA-N -1 3 398.488 3.999 20 0 GHADHM O=S(=O)([N-]Nc1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1F ZINC000780402781 930507227 /nfs/dbraw/zinc/50/72/27/930507227.db2.gz JISASMAWDRAPAZ-UHFFFAOYSA-N -1 3 386.729 3.942 20 0 GHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000546885343 930509595 /nfs/dbraw/zinc/50/95/95/930509595.db2.gz VGTMTIOLPVNOHR-SSDOTTSWSA-N -1 3 378.185 3.598 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000547025840 930624434 /nfs/dbraw/zinc/62/44/34/930624434.db2.gz SKWNJIRLSHUMCS-UHFFFAOYSA-N -1 3 399.350 3.674 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000470606593 930747311 /nfs/dbraw/zinc/74/73/11/930747311.db2.gz NPMVLAMQSCIISA-WQVCFCJDSA-N -1 3 383.897 3.877 20 0 GHADHM O=C(COc1ccc(Cl)cc1Cl)OCc1noc(-c2ccccc2[O-])n1 ZINC000782006570 931057028 /nfs/dbraw/zinc/05/70/28/931057028.db2.gz LNJHZDVZBJKYGF-UHFFFAOYSA-N -1 3 395.198 3.871 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782243513 931136702 /nfs/dbraw/zinc/13/67/02/931136702.db2.gz YCYBNOICWUGWSL-VKJFTORMSA-N -1 3 388.464 3.963 20 0 GHADHM C[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1nnc2ccccn21 ZINC000557243209 931294875 /nfs/dbraw/zinc/29/48/75/931294875.db2.gz PCFXMJJBASOLQS-LLVKDONJSA-N -1 3 392.444 3.550 20 0 GHADHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000782836272 931347648 /nfs/dbraw/zinc/34/76/48/931347648.db2.gz RTGDQCXTESVODY-UHFFFAOYSA-N -1 3 395.434 3.732 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000782864634 931355550 /nfs/dbraw/zinc/35/55/50/931355550.db2.gz ZSTPYEOTWAYHHH-LZJOCLMNSA-N -1 3 397.471 3.612 20 0 GHADHM O=C(CCOc1ccc(F)cc1Cl)OCc1noc(-c2ccccc2[O-])n1 ZINC000783040929 931393268 /nfs/dbraw/zinc/39/32/68/931393268.db2.gz ZAVHIWIRAIVEQS-UHFFFAOYSA-N -1 3 392.770 3.747 20 0 GHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)ccc12 ZINC000557394370 931398253 /nfs/dbraw/zinc/39/82/53/931398253.db2.gz FZBQSPUBUXZBCV-VIFPVBQESA-N -1 3 377.853 3.649 20 0 GHADHM COc1ccccc1-c1c[nH]cc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783372133 931528105 /nfs/dbraw/zinc/52/81/05/931528105.db2.gz ARRAJIMYJOOOHY-UHFFFAOYSA-N -1 3 391.383 3.803 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1C(F)(F)F ZINC000924885743 931573210 /nfs/dbraw/zinc/57/32/10/931573210.db2.gz IBZJEBDWZHESKX-UHFFFAOYSA-N -1 3 379.791 3.835 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(C)cc1C ZINC000557653803 931594277 /nfs/dbraw/zinc/59/42/77/931594277.db2.gz ZUUJWHHJOHSXNT-UHFFFAOYSA-N -1 3 382.391 3.631 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCn3ccc4cc(Cl)ccc43)nc2)n1 ZINC000557682869 931610820 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GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1C(C)C ZINC000558792862 932236090 /nfs/dbraw/zinc/23/60/90/932236090.db2.gz FGQOTGSMVWHSKU-CQSZACIVSA-N -1 3 393.509 3.545 20 0 GHADHM O=C(Oc1ccc2c(c1)CC(=O)N2)c1n[n-]c(-c2ccccc2)c1Br ZINC000797349981 932259837 /nfs/dbraw/zinc/25/98/37/932259837.db2.gz SCJNUBFOFKZMGI-UHFFFAOYSA-N -1 3 398.216 3.553 20 0 GHADHM Cc1nc(-c2ccc(N3CCC(C)=C(Br)C3)nc2)[n-]c(=O)c1C ZINC000797438786 932285746 /nfs/dbraw/zinc/28/57/46/932285746.db2.gz IWPBFPVPQCGLCI-UHFFFAOYSA-N -1 3 375.270 3.740 20 0 GHADHM Cc1cccc(C)c1CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000559031150 932383719 /nfs/dbraw/zinc/38/37/19/932383719.db2.gz PABKAAUVTYWPDA-UHFFFAOYSA-N -1 3 391.880 3.626 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)s1 ZINC000559032426 932384132 /nfs/dbraw/zinc/38/41/32/932384132.db2.gz LQWVUXUKSQVXKU-SSDOTTSWSA-N -1 3 387.836 3.583 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2C)cc1C ZINC000797816551 932414281 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COc1cc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cc2c1OCCO2 ZINC000559989433 933001485 /nfs/dbraw/zinc/00/14/85/933001485.db2.gz KMNREPZWETUZHV-HXOBKFHXSA-N -1 3 397.471 3.679 20 0 GHADHM O=S(=O)([N-]CCc1cccs1)c1cccc(Br)c1Cl ZINC000559996529 933004731 /nfs/dbraw/zinc/00/47/31/933004731.db2.gz PONPEXJBHYAGSJ-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM CCOC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000799917576 933166431 /nfs/dbraw/zinc/16/64/31/933166431.db2.gz XURQWFXCICMJAC-UHFFFAOYSA-N -1 3 393.399 3.533 20 0 GHADHM O=S(=O)([N-]CCc1coc(-c2ccccc2)n1)c1cc(F)ccc1Cl ZINC001115981165 933268435 /nfs/dbraw/zinc/26/84/35/933268435.db2.gz WJEIZDPLVHAMJP-UHFFFAOYSA-N -1 3 380.828 3.655 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc([O-])c1F ZINC000560621080 933397799 /nfs/dbraw/zinc/39/77/99/933397799.db2.gz RSNRIKIMIQBDGI-UHFFFAOYSA-N -1 3 382.185 3.514 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001116241452 933430049 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CC(C)(C)OC(=O)Nc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC001118309696 934135127 /nfs/dbraw/zinc/13/51/27/934135127.db2.gz WCNOESZIJXHPGW-UHFFFAOYSA-N -1 3 388.399 3.798 20 0 GHADHM O=S(=O)([N-]Cc1coc2ccccc12)c1c(F)cccc1OC(F)(F)F ZINC000561513218 934230205 /nfs/dbraw/zinc/23/02/05/934230205.db2.gz XHLVKYHDYMPUQP-UHFFFAOYSA-N -1 3 389.326 3.949 20 0 GHADHM COc1ccc(NCc2csc(C(F)(F)F)c2)cc1[N-]S(C)(=O)=O ZINC001118858467 934268910 /nfs/dbraw/zinc/26/89/10/934268910.db2.gz JQDCUEFJUPRHPG-UHFFFAOYSA-N -1 3 380.413 3.759 20 0 GHADHM Cc1cc(C)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1Br ZINC001119107839 934310134 /nfs/dbraw/zinc/31/01/34/934310134.db2.gz DXSVHFIIPRWNJM-UHFFFAOYSA-N -1 3 390.281 3.759 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1[O-] ZINC000561710852 934386583 /nfs/dbraw/zinc/38/65/83/934386583.db2.gz QRCKHYWLCHUHSU-UHFFFAOYSA-N -1 3 398.484 3.562 20 0 GHADHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777992371 934525839 /nfs/dbraw/zinc/52/58/39/934525839.db2.gz POUNWCSAVKUAML-UHFFFAOYSA-N -1 3 375.277 3.611 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(Cl)n1 ZINC001121179350 934582080 /nfs/dbraw/zinc/58/20/80/934582080.db2.gz PKCRKGGGDGLIEW-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000562296159 934810066 /nfs/dbraw/zinc/81/00/66/934810066.db2.gz BYTWCMSRXJNFON-INIZCTEOSA-N -1 3 385.265 3.888 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001122156816 934834647 /nfs/dbraw/zinc/83/46/47/934834647.db2.gz QUEZRYOYZFICSO-SFHVURJKSA-N -1 3 392.507 3.670 20 0 GHADHM CC[C@H](C)CN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001122999005 935051048 /nfs/dbraw/zinc/05/10/48/935051048.db2.gz CQROGTQXUHNDTM-ZDUSSCGKSA-N -1 3 386.525 3.731 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3cccc(F)c3)n2CC2CC2)cc(=O)[n-]1 ZINC001123420191 935188982 /nfs/dbraw/zinc/18/89/82/935188982.db2.gz OGOSSXAMBVOYNL-SFHVURJKSA-N -1 3 394.454 3.640 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@@H](c4ccccc4)C[C@H]3C)n2CC2CC2)cc(=O)[n-]1 ZINC001123518359 935215247 /nfs/dbraw/zinc/21/52/47/935215247.db2.gz GVUMIZIPGVCTNF-KDOFPFPSSA-N -1 3 390.491 3.542 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC001123761255 935279916 /nfs/dbraw/zinc/27/99/16/935279916.db2.gz QRGRGKGGRBBEEW-UHFFFAOYSA-N -1 3 394.471 3.707 20 0 GHADHM CCc1cnc(C[N-]C(=O)C(F)(F)c2ccc(Br)cc2)s1 ZINC000829028237 935756390 /nfs/dbraw/zinc/75/63/90/935756390.db2.gz YWXQFJYIIHVZGN-UHFFFAOYSA-N -1 3 375.238 3.876 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CCN1Cc1ccccc1 ZINC000829244883 935784716 /nfs/dbraw/zinc/78/47/16/935784716.db2.gz IFWJUBVVRZKENO-HNNXBMFYSA-N -1 3 381.501 3.853 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000829710452 935849613 /nfs/dbraw/zinc/84/96/13/935849613.db2.gz DJGQXRQLCIVOTB-UHFFFAOYSA-N -1 3 381.501 3.853 20 0 GHADHM C/C(=C/C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccco1 ZINC000830140717 935905964 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CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001573558746 946942799 /nfs/dbraw/zinc/94/27/99/946942799.db2.gz PBFWOAMVQSXPND-UHFFFAOYSA-N -1 3 389.415 3.614 20 0 GHADHM C[C@H](C(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1c(Cl)cccc1Cl ZINC001573605285 947529839 /nfs/dbraw/zinc/52/98/39/947529839.db2.gz VABRXSQEOUJPAC-VIFPVBQESA-N -1 3 396.303 3.997 20 0 GHADHM C[C@H](C(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1c(Cl)cccc1Cl ZINC001573605285 947529845 /nfs/dbraw/zinc/52/98/45/947529845.db2.gz VABRXSQEOUJPAC-VIFPVBQESA-N -1 3 396.303 3.997 20 0 GHADHM C[C@@H](C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1)c1ccc(F)c(F)c1 ZINC001573608206 947557107 /nfs/dbraw/zinc/55/71/07/947557107.db2.gz WCQWWQWNZWIRKA-GFCCVEGCSA-N -1 3 383.402 3.834 20 0 GHADHM C[C@@H](C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1)c1ccc(F)c(F)c1 ZINC001573608206 947557111 /nfs/dbraw/zinc/55/71/11/947557111.db2.gz WCQWWQWNZWIRKA-GFCCVEGCSA-N -1 3 383.402 3.834 20 0 GHADHM C=Cc1ccc(C(=O)OCc2cc(Br)cc(-c3nnn[n-]3)c2)cc1 ZINC001573359701 947689309 /nfs/dbraw/zinc/68/93/09/947689309.db2.gz YQWRTTKMGRUDAQ-UHFFFAOYSA-N -1 3 385.221 3.629 20 0 GHADHM C=Cc1ccc(C(=O)OCc2cc(Br)cc(-c3nn[n-]n3)c2)cc1 ZINC001573359701 947689317 /nfs/dbraw/zinc/68/93/17/947689317.db2.gz YQWRTTKMGRUDAQ-UHFFFAOYSA-N -1 3 385.221 3.629 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)c1cccc(Cl)c1 ZINC001573361813 947697618 /nfs/dbraw/zinc/69/76/18/947697618.db2.gz FGTIZGFJDANFAJ-QBFSEMIESA-N -1 3 379.851 3.903 20 0 GHADHM CC(=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)c1cccc(Cl)c1 ZINC001573361813 947697625 /nfs/dbraw/zinc/69/76/25/947697625.db2.gz FGTIZGFJDANFAJ-QBFSEMIESA-N -1 3 379.851 3.903 20 0 GHADHM C[C@H](C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)c(F)c1 ZINC001573626618 947712484 /nfs/dbraw/zinc/71/24/84/947712484.db2.gz WMDVQWGVMAXFHG-ZDUSSCGKSA-N -1 3 397.429 3.655 20 0 GHADHM C[C@H](C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC001573626618 947712495 /nfs/dbraw/zinc/71/24/95/947712495.db2.gz WMDVQWGVMAXFHG-ZDUSSCGKSA-N -1 3 397.429 3.655 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1C ZINC001573364015 947715958 /nfs/dbraw/zinc/71/59/58/947715958.db2.gz FGQXTBNEBPSWRQ-CMDGGOBGSA-N -1 3 388.225 3.573 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1C ZINC001573364015 947715963 /nfs/dbraw/zinc/71/59/63/947715963.db2.gz FGQXTBNEBPSWRQ-CMDGGOBGSA-N -1 3 388.225 3.573 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001573365881 947734769 /nfs/dbraw/zinc/73/47/69/947734769.db2.gz NWPVQPWWCCEBLY-ZRDIBKRKSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001573365881 947734775 /nfs/dbraw/zinc/73/47/75/947734775.db2.gz NWPVQPWWCCEBLY-ZRDIBKRKSA-N -1 3 398.264 3.980 20 0 GHADHM C[C@H](C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001573755434 948769096 /nfs/dbraw/zinc/76/90/96/948769096.db2.gz DTFFZIMKBYKQCE-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001573755434 948769105 /nfs/dbraw/zinc/76/91/05/948769105.db2.gz DTFFZIMKBYKQCE-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001574083415 948883621 /nfs/dbraw/zinc/88/36/21/948883621.db2.gz SFMROBBYHLIVOO-KUHUBIRLSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001574083415 948883639 /nfs/dbraw/zinc/88/36/39/948883639.db2.gz SFMROBBYHLIVOO-KUHUBIRLSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1c(F)cccc1Cl ZINC001574083443 948888021 /nfs/dbraw/zinc/88/80/21/948888021.db2.gz SULDUFHRTBJFBE-HNNXBMFYSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1c(F)cccc1Cl ZINC001574083443 948888034 /nfs/dbraw/zinc/88/80/34/948888034.db2.gz SULDUFHRTBJFBE-HNNXBMFYSA-N -1 3 390.802 3.668 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001575501790 949012809 /nfs/dbraw/zinc/01/28/09/949012809.db2.gz FQHHZDLSAFSDOI-LBPRGKRZSA-N -1 3 394.866 3.764 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001575501790 949012828 /nfs/dbraw/zinc/01/28/28/949012828.db2.gz FQHHZDLSAFSDOI-LBPRGKRZSA-N -1 3 394.866 3.764 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001575502922 949031100 /nfs/dbraw/zinc/03/11/00/949031100.db2.gz LQOVAGYXESSJPE-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001575502922 949031118 /nfs/dbraw/zinc/03/11/18/949031118.db2.gz LQOVAGYXESSJPE-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575502880 949034245 /nfs/dbraw/zinc/03/42/45/949034245.db2.gz LEYCXJQYBHQAHS-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575502880 949034264 /nfs/dbraw/zinc/03/42/64/949034264.db2.gz LEYCXJQYBHQAHS-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001574092172 949051178 /nfs/dbraw/zinc/05/11/78/949051178.db2.gz QMFJPZQJTTZQQS-BJZITVGISA-N -1 3 382.512 3.758 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001574092172 949051200 /nfs/dbraw/zinc/05/12/00/949051200.db2.gz QMFJPZQJTTZQQS-BJZITVGISA-N -1 3 382.512 3.758 20 0 GHADHM C[C@H](c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1)C(F)(F)F ZINC001575503844 949053530 /nfs/dbraw/zinc/05/35/30/949053530.db2.gz MMIVWRKNZNQLKO-SECBINFHSA-N -1 3 381.383 3.524 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574694335 949072365 /nfs/dbraw/zinc/07/23/65/949072365.db2.gz NUJCJCJDJHEGES-JLTOFOAXSA-N -1 3 393.466 3.768 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574694335 949072387 /nfs/dbraw/zinc/07/23/87/949072387.db2.gz NUJCJCJDJHEGES-JLTOFOAXSA-N -1 3 393.466 3.768 20 0 GHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001575515114 949179825 /nfs/dbraw/zinc/17/98/25/949179825.db2.gz GFAOFHQMHAQUQO-FZKQIMNGSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001575515114 949179832 /nfs/dbraw/zinc/17/98/32/949179832.db2.gz GFAOFHQMHAQUQO-FZKQIMNGSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@@H]1C ZINC001576151353 949222841 /nfs/dbraw/zinc/22/28/41/949222841.db2.gz GWUPEPVWIIKYAO-CLCXKQKWSA-N -1 3 382.512 3.580 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@@H]1C ZINC001576151353 949222858 /nfs/dbraw/zinc/22/28/58/949222858.db2.gz GWUPEPVWIIKYAO-CLCXKQKWSA-N -1 3 382.512 3.580 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)C1 ZINC001576152289 949246216 /nfs/dbraw/zinc/24/62/16/949246216.db2.gz IGRPKTCDAFWOGN-VXGBXAGGSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)C1 ZINC001576152289 949246237 /nfs/dbraw/zinc/24/62/37/949246237.db2.gz IGRPKTCDAFWOGN-VXGBXAGGSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001575264812 949440121 /nfs/dbraw/zinc/44/01/21/949440121.db2.gz QTRAMLFKTXLWRG-OMMCCPJFSA-N -1 3 393.394 3.838 20 0 GHADHM C[C@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001575264812 949440150 /nfs/dbraw/zinc/44/01/50/949440150.db2.gz QTRAMLFKTXLWRG-OMMCCPJFSA-N -1 3 393.394 3.838 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001576159513 949520134 /nfs/dbraw/zinc/52/01/34/949520134.db2.gz XWVPKGDMNIMJQW-DYVFJYSZSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001576159513 949520150 /nfs/dbraw/zinc/52/01/50/949520150.db2.gz XWVPKGDMNIMJQW-DYVFJYSZSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576170758 949736153 /nfs/dbraw/zinc/73/61/53/949736153.db2.gz MSZHLOTWEKRHEC-CRAIPNDOSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576170758 949736168 /nfs/dbraw/zinc/73/61/68/949736168.db2.gz MSZHLOTWEKRHEC-CRAIPNDOSA-N -1 3 376.464 3.621 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589660060 949856893 /nfs/dbraw/zinc/85/68/93/949856893.db2.gz XVTNBZGAYNLKDE-INIZCTEOSA-N -1 3 390.871 3.638 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573825255 949869077 /nfs/dbraw/zinc/86/90/77/949869077.db2.gz OIZXYGGDKQTYHZ-FZMZJTMJSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573825255 949869094 /nfs/dbraw/zinc/86/90/94/949869094.db2.gz OIZXYGGDKQTYHZ-FZMZJTMJSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1 ZINC001573842477 950142680 /nfs/dbraw/zinc/14/26/80/950142680.db2.gz DTSTXIREYZCVMK-HNNXBMFYSA-N -1 3 384.871 3.822 20 0 GHADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCCC1 ZINC001575614499 950532345 /nfs/dbraw/zinc/53/23/45/950532345.db2.gz FSDAGTXSHFJTCQ-UHFFFAOYSA-N -1 3 378.436 3.963 20 0 GHADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCCCC1 ZINC001575614499 950532358 /nfs/dbraw/zinc/53/23/58/950532358.db2.gz FSDAGTXSHFJTCQ-UHFFFAOYSA-N -1 3 378.436 3.963 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCCO1 ZINC001575614661 950545143 /nfs/dbraw/zinc/54/51/43/950545143.db2.gz LMNBABNRLDWSEZ-HXUWFJFHSA-N -1 3 397.410 3.696 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCCO1 ZINC001575614661 950545155 /nfs/dbraw/zinc/54/51/55/950545155.db2.gz LMNBABNRLDWSEZ-HXUWFJFHSA-N -1 3 397.410 3.696 20 0 GHADHM CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001575625350 950683301 /nfs/dbraw/zinc/68/33/01/950683301.db2.gz QRLBNKMZXXGZNY-JTQLQIEISA-N -1 3 394.426 3.509 20 0 GHADHM CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001575625350 950683316 /nfs/dbraw/zinc/68/33/16/950683316.db2.gz QRLBNKMZXXGZNY-JTQLQIEISA-N -1 3 394.426 3.509 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)C3(C(C)(F)F)CC3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576217418 950765710 /nfs/dbraw/zinc/76/57/10/950765710.db2.gz NPLWXHUHLBZOTQ-DTWKUNHWSA-N -1 3 381.452 3.988 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)C3(C(C)(F)F)CC3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576217418 950765721 /nfs/dbraw/zinc/76/57/21/950765721.db2.gz NPLWXHUHLBZOTQ-DTWKUNHWSA-N -1 3 381.452 3.988 20 0 GHADHM CC(C)(C)c1nc(CC(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)cs1 ZINC001573884270 950791900 /nfs/dbraw/zinc/79/19/00/950791900.db2.gz CBKSTTHNVXJPOU-UHFFFAOYSA-N -1 3 396.520 3.749 20 0 GHADHM CC(C)(C)c1nc(CC(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)cs1 ZINC001573884270 950791923 /nfs/dbraw/zinc/79/19/23/950791923.db2.gz CBKSTTHNVXJPOU-UHFFFAOYSA-N -1 3 396.520 3.749 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001576220989 950843876 /nfs/dbraw/zinc/84/38/76/950843876.db2.gz YORPTRCSYZTAOH-QGHHPUGFSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001576220989 950843903 /nfs/dbraw/zinc/84/39/03/950843903.db2.gz YORPTRCSYZTAOH-QGHHPUGFSA-N -1 3 384.390 3.590 20 0 GHADHM CC1(C)CC(CNC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC001575639006 950849676 /nfs/dbraw/zinc/84/96/76/950849676.db2.gz MCWZPXGNMLHDHK-UHFFFAOYSA-N -1 3 384.528 3.561 20 0 GHADHM CC1(C)CC(CNC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC001575639006 950849698 /nfs/dbraw/zinc/84/96/98/950849698.db2.gz MCWZPXGNMLHDHK-UHFFFAOYSA-N -1 3 384.528 3.561 20 0 GHADHM CC1(C)C[C@@]1(CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001575641367 950919056 /nfs/dbraw/zinc/91/90/56/950919056.db2.gz ONZSLAHDXRKPNM-HXUWFJFHSA-N -1 3 381.867 3.618 20 0 GHADHM CC1(C)C[C@@]1(CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001575641367 950919066 /nfs/dbraw/zinc/91/90/66/950919066.db2.gz ONZSLAHDXRKPNM-HXUWFJFHSA-N -1 3 381.867 3.618 20 0 GHADHM CC1(C)C[C@]1(C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001575641431 950920159 /nfs/dbraw/zinc/92/01/59/950920159.db2.gz QBBZNHCYGRNDNM-AUSIDOKSSA-N -1 3 387.487 3.728 20 0 GHADHM CC1(C)C[C@]1(C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001575641431 950920175 /nfs/dbraw/zinc/92/01/75/950920175.db2.gz QBBZNHCYGRNDNM-AUSIDOKSSA-N -1 3 387.487 3.728 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC001575188131 952446050 /nfs/dbraw/zinc/44/60/50/952446050.db2.gz HFYCSGGAUADMKY-NSHDSACASA-N -1 3 389.431 3.999 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC001575188131 952446053 /nfs/dbraw/zinc/44/60/53/952446053.db2.gz HFYCSGGAUADMKY-NSHDSACASA-N -1 3 389.431 3.999 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001575188118 952446238 /nfs/dbraw/zinc/44/62/38/952446238.db2.gz HCJAMBIXYUHIPX-JTQLQIEISA-N -1 3 376.873 3.677 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001575188118 952446242 /nfs/dbraw/zinc/44/62/42/952446242.db2.gz HCJAMBIXYUHIPX-JTQLQIEISA-N -1 3 376.873 3.677 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000566219657 953621720 /nfs/dbraw/zinc/62/17/20/953621720.db2.gz GSTQBTPRHVUJBS-SUYBPPKGSA-N -1 3 399.318 3.700 20 0 GHADHM CC(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001603055979 972122799 /nfs/dbraw/zinc/12/27/99/972122799.db2.gz AENRGUBUGBCSPD-SXAWMYDMSA-N -1 3 382.460 3.503 20 0 GHADHM C[C@@H](COCC1CCCCC1)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589076087 955812525 /nfs/dbraw/zinc/81/25/25/955812525.db2.gz XIVWXOIQUQYBHT-WMZOPIPTSA-N -1 3 378.513 3.656 20 0 GHADHM CC(C)(C)c1csc(CC2(O)CCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC001588747281 961184242 /nfs/dbraw/zinc/18/42/42/961184242.db2.gz WRDWFJOYHXRUPS-UHFFFAOYSA-N -1 3 388.533 3.708 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCCN(Cc2ccccc2)C1 ZINC001517332056 962766655 /nfs/dbraw/zinc/76/66/55/962766655.db2.gz IDFULEKYZIVKRN-FBHSLPMESA-N -1 3 398.547 3.829 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398001898 973050439 /nfs/dbraw/zinc/05/04/39/973050439.db2.gz WSCFVJTYBNFMBC-ACJLOTCBSA-N -1 3 387.867 3.823 20 0 GHADHM O=C([O-])CCCNCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001606179430 973426944 /nfs/dbraw/zinc/42/69/44/973426944.db2.gz GIYNMKFMAKNEEK-UHFFFAOYSA-N -1 3 391.256 3.672 20 0 GHADHM CCCN(C)[C@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001603654731 974023275 /nfs/dbraw/zinc/02/32/75/974023275.db2.gz DLVSZSYTQJAYQZ-QGZVFWFLSA-N -1 3 390.871 3.638 20 0 GHADHM CCOc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(Cl)cccc3c1=O)CC2 ZINC001625830702 1014214079 /nfs/dbraw/zinc/21/40/79/1014214079.db2.gz KNARUUJRPHUEEL-UHFFFAOYSA-N -1 3 382.847 3.779 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(C(F)(F)F)s1 ZINC001592267379 977512820 /nfs/dbraw/zinc/51/28/20/977512820.db2.gz CQUYDMOXZNHGSN-JTQLQIEISA-N -1 3 386.395 3.972 20 0 GHADHM CCC(CC)N(CCOC)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001625960746 1014592726 /nfs/dbraw/zinc/59/27/26/1014592726.db2.gz VQWIUPXPVRWONQ-UHFFFAOYSA-N -1 3 395.297 3.568 20 0 GHADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2O[C@@H](C)C(=O)[O-])C1 ZINC001595368709 980830111 /nfs/dbraw/zinc/83/01/11/980830111.db2.gz MZOLKRXKYQDMFB-AOMKIAJQSA-N -1 3 391.508 3.872 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)ccc2NC1=O ZINC001595500387 981272081 /nfs/dbraw/zinc/27/20/81/981272081.db2.gz ZAJUVFFQZMDRKE-PBQZTSCYSA-N -1 3 388.851 3.926 20 0 GHADHM CCC(C)(C)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC001594805080 981905796 /nfs/dbraw/zinc/90/57/96/981905796.db2.gz QYIWHRXWJPVZIH-UHFFFAOYSA-N -1 3 399.491 3.641 20 0 GHADHM CCCCCC[C@@](O)(CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001595697180 982238836 /nfs/dbraw/zinc/23/88/36/982238836.db2.gz OHFNVEBMNUMIDP-DYESRHJHSA-N -1 3 396.959 3.805 20 0 GHADHM CCCN(C)[C@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001595836703 982743571 /nfs/dbraw/zinc/74/35/71/982743571.db2.gz JWUGCHRAURQXNC-QGZVFWFLSA-N -1 3 393.871 3.514 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836872 982744680 /nfs/dbraw/zinc/74/46/80/982744680.db2.gz OIXFWDZOLXIOHC-FXAWDEMLSA-N -1 3 395.931 3.619 20 0 GHADHM CCCn1nc(C)c(CN(CC(=O)[O-])Cc2cccc(Br)c2)c1C ZINC001596120968 983457101 /nfs/dbraw/zinc/45/71/01/983457101.db2.gz MSRLTIMHFZGELT-UHFFFAOYSA-N -1 3 394.313 3.759 20 0 GHADHM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001596164211 983526357 /nfs/dbraw/zinc/52/63/57/983526357.db2.gz HHPDHGPASAYOMT-YWZLYKJASA-N -1 3 384.451 3.822 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC001596254159 983661088 /nfs/dbraw/zinc/66/10/88/983661088.db2.gz CKTJMWMAJSQVCU-FQEVSTJZSA-N -1 3 399.491 3.906 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC001596593654 984534760 /nfs/dbraw/zinc/53/47/60/984534760.db2.gz AHFQJPODQVKCMD-HXUWFJFHSA-N -1 3 396.487 3.729 20 0 GHADHM C/C(=C/c1ccccc1OC(F)F)CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001589003980 984959929 /nfs/dbraw/zinc/95/99/29/984959929.db2.gz SLXHHEBWRDPSAB-SQFISAMPSA-N -1 3 395.446 3.773 20 0 GHADHM C[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001599927585 985232281 /nfs/dbraw/zinc/23/22/81/985232281.db2.gz DZZYODNEPHOLFB-DXCKQFNASA-N -1 3 399.318 3.700 20 0 GHADHM Cc1[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC001599953719 985652566 /nfs/dbraw/zinc/65/25/66/985652566.db2.gz YMFAWXBVHUICRE-SFHVURJKSA-N -1 3 383.492 3.533 20 0 GHADHM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594534931 986145330 /nfs/dbraw/zinc/14/53/30/986145330.db2.gz KZVDRIQXFWXZBR-DZGCQCFKSA-N -1 3 380.460 3.507 20 0 GHADHM CCOP(=O)(CCCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)OCC ZINC001596968432 986183102 /nfs/dbraw/zinc/18/31/02/986183102.db2.gz MMJARKUHMSXWKB-CYBMUJFWSA-N -1 3 390.442 3.943 20 0 GHADHM CCOc1cc(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc(Cl)c1[O-] ZINC001597035279 986469919 /nfs/dbraw/zinc/46/99/19/986469919.db2.gz FEEGGFMILFVWOV-BBRMVZONSA-N -1 3 377.868 3.866 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC001589468025 986928711 /nfs/dbraw/zinc/92/87/11/986928711.db2.gz FQSGBHRFPUCOFG-GTNSWQLSSA-N -1 3 388.265 3.877 20 0 GHADHM CCc1[nH]c(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C(=O)[O-] ZINC001597386425 987603973 /nfs/dbraw/zinc/60/39/73/987603973.db2.gz KBVPXWGCMSIXKY-AWEZNQCLSA-N -1 3 398.438 3.844 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001597456854 987866697 /nfs/dbraw/zinc/86/66/97/987866697.db2.gz MUYNTSUJGLITFD-JOCHJYFZSA-N -1 3 381.476 3.733 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001599815484 988415059 /nfs/dbraw/zinc/41/50/59/988415059.db2.gz BUEAHRGBVOFORU-GDIGMMSISA-N -1 3 384.501 3.536 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1csc(C(=O)[O-])c1)C2 ZINC001590003677 988934706 /nfs/dbraw/zinc/93/47/06/988934706.db2.gz LMRRQVGHCHHOQB-LJQANCHMSA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cc(C(=O)[O-])cs1)C2 ZINC001590003689 988934795 /nfs/dbraw/zinc/93/47/95/988934795.db2.gz MDVWKBNREXFSSZ-LJQANCHMSA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001590304417 989734248 /nfs/dbraw/zinc/73/42/48/989734248.db2.gz YTRKDUOTYWHUGP-NRFANRHFSA-N -1 3 385.464 3.908 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)CC1 ZINC001598066770 990353598 /nfs/dbraw/zinc/35/35/98/990353598.db2.gz OCGJEGJCDVKXEM-UHFFFAOYSA-N -1 3 388.508 3.634 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001598203411 990829729 /nfs/dbraw/zinc/82/97/29/990829729.db2.gz VHJOKUXYSBLLMI-HNNXBMFYSA-N -1 3 397.809 3.741 20 0 GHADHM COCCOc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1OC ZINC000468336985 1015597491 /nfs/dbraw/zinc/59/74/91/1015597491.db2.gz IDGVVXJTTQDIHA-UHFFFAOYSA-N -1 3 377.412 3.527 20 0 GHADHM COc1cccc(SCCN2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC001599683921 990954825 /nfs/dbraw/zinc/95/48/25/990954825.db2.gz GIUWBKFZSKTUDK-UHFFFAOYSA-N -1 3 378.519 3.822 20 0 GHADHM COc1ccccc1-c1csc([C@@H]2CCCN(Cc3oncc3C(=O)[O-])C2)n1 ZINC001599692288 991089118 /nfs/dbraw/zinc/08/91/18/991089118.db2.gz OGXNMELIJYLRFL-CYBMUJFWSA-N -1 3 399.472 3.885 20 0 GHADHM CC(C)[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1(CO)CC=CC1 ZINC001591031257 991339233 /nfs/dbraw/zinc/33/92/33/991339233.db2.gz WPHGJXOCBXISTG-SFHVURJKSA-N -1 3 386.517 3.951 20 0 GHADHM CN(CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)CC(C)(C)C ZINC001598375624 991561389 /nfs/dbraw/zinc/56/13/89/991561389.db2.gz ABCYMBVDMUUXMV-OAHLLOKOSA-N -1 3 375.296 3.555 20 0 GHADHM CN(C[C@H](O)c1ccc(F)cc1Cl)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598437594 991849457 /nfs/dbraw/zinc/84/94/57/991849457.db2.gz VLUUEYXBLVUZIG-HOCLYGCPSA-N -1 3 391.748 3.688 20 0 GHADHM O=C1CCC2(CCN(Cc3ccc(Cl)c([O-])c3)CC2)CN1CC(F)(F)F ZINC001277154357 1032124616 /nfs/dbraw/zinc/12/46/16/1032124616.db2.gz AOJPAHLHIATBTN-UHFFFAOYSA-N -1 3 390.833 3.813 20 0 GHADHM CC(C)Cc1ccc([C@@H](CN[C@H](C)c2ncc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591483369 992601845 /nfs/dbraw/zinc/60/18/45/992601845.db2.gz BRELYNFWZKTQLQ-RHSMWYFYSA-N -1 3 375.538 3.993 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)/C=C/c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001591483392 992603081 /nfs/dbraw/zinc/60/30/81/992603081.db2.gz CPFXTTMRAUWBKL-XTXLJPNXSA-N -1 3 384.476 3.609 20 0 GHADHM CN(C)c1cccc(CN(C)Cc2ccc(C(=O)[O-])c(Br)c2)c1 ZINC001598526304 992724930 /nfs/dbraw/zinc/72/49/30/992724930.db2.gz VHDCTUNQDKNVRM-UHFFFAOYSA-N -1 3 377.282 3.845 20 0 GHADHM CN(Cc1cccc2c1OCC2)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598527488 992737564 /nfs/dbraw/zinc/73/75/64/992737564.db2.gz ZIDRMECAGWGEBA-INIZCTEOSA-N -1 3 376.250 3.642 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000468515560 1015768982 /nfs/dbraw/zinc/76/89/82/1015768982.db2.gz GHKGVTMHQGHCSJ-HXUWFJFHSA-N -1 3 385.414 3.632 20 0 GHADHM C[C@H](N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccccc1OCC(=O)[O-] ZINC001593199392 994178375 /nfs/dbraw/zinc/17/83/75/994178375.db2.gz WTHWQMSEKWIRAK-SYTFOFBDSA-N -1 3 381.831 3.715 20 0 GHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001593297204 994702617 /nfs/dbraw/zinc/70/26/17/994702617.db2.gz SZYDXSOUHIGHJO-YCRPNKLZSA-N -1 3 387.451 3.939 20 0 GHADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(Br)c(F)c1 ZINC001593305569 994764503 /nfs/dbraw/zinc/76/45/03/994764503.db2.gz XFIBSEWQKCDGJB-NSHDSACASA-N -1 3 382.229 3.902 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593725435 996278204 /nfs/dbraw/zinc/27/82/04/996278204.db2.gz WAMRJESENPVJPG-DINDLPBHSA-N -1 3 383.370 3.859 20 0 GHADHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC001599406127 997306737 /nfs/dbraw/zinc/30/67/37/997306737.db2.gz TWHDODDGWDPOKS-QGZVFWFLSA-N -1 3 383.366 3.980 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(C(=O)[O-])c(Br)c2)C2CC2)cn1 ZINC001599530726 997647111 /nfs/dbraw/zinc/64/71/11/997647111.db2.gz FSHKDZCHTMGYEF-KRWDZBQOSA-N -1 3 391.265 3.792 20 0 GHADHM COc1ccc([C@H](NCc2cccc(NC(=O)OC(C)(C)C)c2)C(=O)[O-])cc1 ZINC001599532915 997690343 /nfs/dbraw/zinc/69/03/43/997690343.db2.gz XDAZYQFYMXIMKJ-SFHVURJKSA-N -1 3 386.448 3.958 20 0 GHADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)[nH]c1C(C)C ZINC001598933165 997809943 /nfs/dbraw/zinc/80/99/43/997809943.db2.gz XKBSFGQZACZXOG-HXUWFJFHSA-N -1 3 380.444 3.993 20 0 GHADHM COc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)ccc1C(=O)[O-] ZINC001599436882 997863353 /nfs/dbraw/zinc/86/33/53/997863353.db2.gz CQHSSNVQGNOHJC-IBGZPJMESA-N -1 3 397.475 3.660 20 0 GHADHM COc1cc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)ccc1C(=O)[O-] ZINC001599439158 997902563 /nfs/dbraw/zinc/90/25/63/997902563.db2.gz DTIPSKHVAFFZRE-SFHVURJKSA-N -1 3 397.475 3.570 20 0 GHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)O1 ZINC001594100508 998108916 /nfs/dbraw/zinc/10/89/16/998108916.db2.gz QVCRXKHKIMKTBM-FQEVSTJZSA-N -1 3 385.504 3.927 20 0 GHADHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c(OC)c1 ZINC001599558266 998134730 /nfs/dbraw/zinc/13/47/30/998134730.db2.gz BTMZQFSHRNWYJQ-QGZVFWFLSA-N -1 3 394.265 3.724 20 0 GHADHM COc1ccc(CN(Cc2ccc(OC)cc2)C[C@H]2[C@H](C(=O)[O-])C2(F)F)cc1 ZINC001599559787 998169347 /nfs/dbraw/zinc/16/93/47/998169347.db2.gz PXXNDVHHFUZRCW-RBUKOAKNSA-N -1 3 391.414 3.672 20 0 GHADHM COc1ccc(CN2CCCN(Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)cc1 ZINC001599562217 998219884 /nfs/dbraw/zinc/21/98/84/998219884.db2.gz WUYGWBHIIWVONF-UHFFFAOYSA-N -1 3 388.895 3.755 20 0 GHADHM COC(=O)c1ccc(Br)c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001598956316 998247943 /nfs/dbraw/zinc/24/79/43/998247943.db2.gz FTUFDKYROOFAPA-CQSZACIVSA-N -1 3 398.297 3.559 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1Br ZINC001599571907 998379708 /nfs/dbraw/zinc/37/97/08/998379708.db2.gz KBBPAEFSOXLXRP-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CCNCc1cc(C(=O)[O-])ccc1Cl ZINC001599579341 998501501 /nfs/dbraw/zinc/50/15/01/998501501.db2.gz RXZBTVREILSKRX-UHFFFAOYSA-N -1 3 397.258 3.819 20 0 GHADHM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C ZINC001598972760 998548392 /nfs/dbraw/zinc/54/83/92/998548392.db2.gz NGUXZUZHBFTDOM-MRXNPFEDSA-N -1 3 381.350 3.716 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001594297111 999145690 /nfs/dbraw/zinc/14/56/90/999145690.db2.gz RRYRUXIIFZUMLD-NNSTXHOFSA-N -1 3 389.492 3.605 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2ccsc2C(=O)[O-])[C@@H]1C ZINC001594307523 999188164 /nfs/dbraw/zinc/18/81/64/999188164.db2.gz APQAUYBHKJLFMF-UMVBOHGHSA-N -1 3 382.526 3.960 20 0 GHADHM C[C@@H]1CC[C@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])O1 ZINC001594309553 999194935 /nfs/dbraw/zinc/19/49/35/999194935.db2.gz XMYZHSXCEBJGFA-ZWNOBZJWSA-N -1 3 384.263 3.534 20 0 GHADHM COc1ccc(Br)cc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469065367 1016400499 /nfs/dbraw/zinc/40/04/99/1016400499.db2.gz ZGMDYKVMMZDHMX-UHFFFAOYSA-N -1 3 396.256 3.942 20 0 GHADHM Cc1nc(COc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)no1 ZINC000469098205 1016472486 /nfs/dbraw/zinc/47/24/86/1016472486.db2.gz YUHGGGJHGYVIJA-UHFFFAOYSA-N -1 3 385.395 3.763 20 0 GHADHM CCN(CCC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000546206071 1016579175 /nfs/dbraw/zinc/57/91/75/1016579175.db2.gz UGARWSZTODSFNK-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2c1 ZINC001154506466 1032150531 /nfs/dbraw/zinc/15/05/31/1032150531.db2.gz BVKOKXUXHKRVLL-UHFFFAOYSA-N -1 3 391.471 3.528 20 0 GHADHM FC(F)(F)c1nc(=N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s[n-]1 ZINC000557597031 1017020892 /nfs/dbraw/zinc/02/08/92/1017020892.db2.gz VHQBTAJTSIQKGF-NSHDSACASA-N -1 3 396.360 3.684 20 0 GHADHM FC(F)(F)c1nsc(=N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)[n-]1 ZINC000557597031 1017020905 /nfs/dbraw/zinc/02/09/05/1017020905.db2.gz VHQBTAJTSIQKGF-NSHDSACASA-N -1 3 396.360 3.684 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)OC(C)(C)C)c2c1 ZINC001154530331 1032166909 /nfs/dbraw/zinc/16/69/09/1032166909.db2.gz FTJNUBFQLHFWPP-AVYPCKFXSA-N -1 3 396.487 3.831 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)c([O-])c1 ZINC001154762665 1032276975 /nfs/dbraw/zinc/27/69/75/1032276975.db2.gz VYJDJGAHDLIPAN-CYBMUJFWSA-N -1 3 390.281 3.527 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)ccc1F ZINC001155185964 1032448320 /nfs/dbraw/zinc/44/83/20/1032448320.db2.gz GNFCZWAKYXVZEC-UHFFFAOYSA-N -1 3 390.802 3.958 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)ccc1F ZINC001155185964 1032448326 /nfs/dbraw/zinc/44/83/26/1032448326.db2.gz GNFCZWAKYXVZEC-UHFFFAOYSA-N -1 3 390.802 3.958 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)ccc1F ZINC001155185964 1032448330 /nfs/dbraw/zinc/44/83/30/1032448330.db2.gz GNFCZWAKYXVZEC-UHFFFAOYSA-N -1 3 390.802 3.958 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227585882 1032473708 /nfs/dbraw/zinc/47/37/08/1032473708.db2.gz GFZHXRJVCYHGOV-LBPRGKRZSA-N -1 3 376.375 3.974 20 0 GHADHM Cc1ccc(N(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C2CCC2)cc1 ZINC001155274161 1032479748 /nfs/dbraw/zinc/47/97/48/1032479748.db2.gz CGHGFMVXJPQELF-UHFFFAOYSA-N -1 3 398.937 3.574 20 0 GHADHM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(F)c(F)c(F)c(F)c1F ZINC000318943370 1032545263 /nfs/dbraw/zinc/54/52/63/1032545263.db2.gz QVLQZGISQLEOJF-UHFFFAOYSA-N -1 3 378.731 3.601 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000560934428 1017755024 /nfs/dbraw/zinc/75/50/24/1017755024.db2.gz NAWKKGFNZJORJM-UHFFFAOYSA-N -1 3 391.489 3.770 20 0 GHADHM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000930126714 1017789777 /nfs/dbraw/zinc/78/97/77/1017789777.db2.gz PVOLURWTOYYVKF-MRXNPFEDSA-N -1 3 384.867 3.949 20 0 GHADHM CC(C)c1cc(=O)[n-]c(N2CC[C@@H](NC(=O)Nc3ccccc3C(F)F)C2)n1 ZINC000931790056 1018052214 /nfs/dbraw/zinc/05/22/14/1018052214.db2.gz ZLSVGAUQJKGFFR-GFCCVEGCSA-N -1 3 391.422 3.644 20 0 GHADHM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000562219176 1018077038 /nfs/dbraw/zinc/07/70/38/1018077038.db2.gz JGXWQBVRIVJGFX-ZLGUVYLKSA-N -1 3 394.471 3.561 20 0 GHADHM CC(C)(C)OC(=O)[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(F)cc1 ZINC000932457360 1018322710 /nfs/dbraw/zinc/32/27/10/1018322710.db2.gz GRJZAPFZJPYNNS-SFHVURJKSA-N -1 3 399.422 3.754 20 0 GHADHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c3ccccc3)cn21 ZINC000562781816 1018636455 /nfs/dbraw/zinc/63/64/55/1018636455.db2.gz WWOUSSQAMBMRDS-OCCSQVGLSA-N -1 3 387.427 3.752 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@](C)(O)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000778270813 1018932325 /nfs/dbraw/zinc/93/23/25/1018932325.db2.gz IHTBHPSNCONWJL-QFIPXVFZSA-N -1 3 392.459 3.577 20 0 GHADHM COC(=O)[C@H](Cc1ccccc1)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228151710 1032809509 /nfs/dbraw/zinc/80/95/09/1032809509.db2.gz HICHOCBSKKPRNY-NRFANRHFSA-N -1 3 376.408 3.786 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cccc2n[n-]nc21 ZINC000568586116 1019426823 /nfs/dbraw/zinc/42/68/23/1019426823.db2.gz RXSZISIREWSGAX-XYPYZODXSA-N -1 3 389.228 3.536 20 0 GHADHM CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc([O-])ccc1Cl ZINC000571364837 1019680512 /nfs/dbraw/zinc/68/05/12/1019680512.db2.gz GAUCILHUIKEKSU-UHFFFAOYSA-N -1 3 397.656 3.519 20 0 GHADHM CC(C)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nnc2n1CCCC2 ZINC000574887465 1019917173 /nfs/dbraw/zinc/91/71/73/1019917173.db2.gz YSJXQEQICWFKPK-UHFFFAOYSA-N -1 3 392.459 3.777 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1Cl ZINC000575754694 1019943632 /nfs/dbraw/zinc/94/36/32/1019943632.db2.gz DFOBFJMBNSSRRJ-HIFRSBDPSA-N -1 3 387.288 3.587 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](NCc1ccccc1)C(F)(F)F ZINC000579112647 1020387150 /nfs/dbraw/zinc/38/71/50/1020387150.db2.gz JLOIINUNRKYXRJ-SFHVURJKSA-N -1 3 398.400 3.691 20 0 GHADHM O=C1O[C@@H](COc2cc(-c3ccccc3)nc(=S)[n-]2)CN1c1cccc(F)c1 ZINC001228346687 1032900968 /nfs/dbraw/zinc/90/09/68/1032900968.db2.gz LDTHDYANABNTRF-MRXNPFEDSA-N -1 3 397.431 3.976 20 0 GHADHM O=C(Nc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1)[C@@H]1CCCO1 ZINC000190868420 1020735715 /nfs/dbraw/zinc/73/57/15/1020735715.db2.gz ZQIJQAHNZWCXCX-KRWDZBQOSA-N -1 3 378.831 3.592 20 0 GHADHM Cc1cccc2c1OCC[C@H]2NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000191907313 1020829582 /nfs/dbraw/zinc/82/95/82/1020829582.db2.gz FKXXAJGYIKHRKT-OAHLLOKOSA-N -1 3 394.258 3.770 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000642376333 1021090446 /nfs/dbraw/zinc/09/04/46/1021090446.db2.gz LQMFLQOECCVZIU-NSHDSACASA-N -1 3 383.395 3.918 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001156284376 1032958838 /nfs/dbraw/zinc/95/88/38/1032958838.db2.gz HKRUIEJUKOCUTG-LBPRGKRZSA-N -1 3 396.800 3.692 20 0 GHADHM COC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001626155561 1021292738 /nfs/dbraw/zinc/29/27/38/1021292738.db2.gz YCIRBJWYPZNMQC-UHFFFAOYSA-N -1 3 393.399 3.802 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccncc2)Cc2ccncc2[O-])C1 ZINC001140281642 1021309386 /nfs/dbraw/zinc/30/93/86/1021309386.db2.gz GANPKCQKHVEUOQ-LJQANCHMSA-N -1 3 398.507 3.584 20 0 GHADHM CO[C@H](C)c1nsc([N-]C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000800990006 1021353487 /nfs/dbraw/zinc/35/34/87/1021353487.db2.gz MYUVKGXNABMMJK-SNVBAGLBSA-N -1 3 377.857 3.645 20 0 GHADHM COc1ccc(C[C@@H](C)CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1F ZINC000901551160 1021423841 /nfs/dbraw/zinc/42/38/41/1021423841.db2.gz GYMKINOLBYRNGH-CQSZACIVSA-N -1 3 387.451 3.778 20 0 GHADHM COc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000901892892 1021458255 /nfs/dbraw/zinc/45/82/55/1021458255.db2.gz YTKPZCOZCYCTQT-SFHVURJKSA-N -1 3 387.501 3.524 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccn3c2nnc3C2CC2)c([O-])c1 ZINC001156368512 1033004109 /nfs/dbraw/zinc/00/41/09/1033004109.db2.gz OZTKUVIRBXQHFA-UHFFFAOYSA-N -1 3 394.431 3.520 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2c2cccc(F)c2)c1 ZINC000680444509 1022166483 /nfs/dbraw/zinc/16/64/83/1022166483.db2.gz MJMGVQGLYPCEHK-GOSISDBHSA-N -1 3 395.390 3.667 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)[C@@H](O)c1cccc(F)c1 ZINC001137418749 1022191331 /nfs/dbraw/zinc/19/13/31/1022191331.db2.gz NWJAIZLCTBBZGP-QLJPJBMISA-N -1 3 387.785 3.818 20 0 GHADHM Cc1cc(Br)c(F)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000681201740 1022266553 /nfs/dbraw/zinc/26/65/53/1022266553.db2.gz PWMRRTVDXVXELT-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM COc1cc(C(=O)OCCOc2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000754270121 1022572676 /nfs/dbraw/zinc/57/26/76/1022572676.db2.gz ACFYVPBWWFOOTG-UHFFFAOYSA-N -1 3 386.322 3.664 20 0 GHADHM COc1cc(C(=O)OCc2ccc(OCc3ccccn3)cc2)cc(OC)c1[O-] ZINC000754270966 1022573000 /nfs/dbraw/zinc/57/30/00/1022573000.db2.gz GMNJCFLMKHZYTA-UHFFFAOYSA-N -1 3 395.411 3.740 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1OCc1c(F)cc(OC(C)C)cc1F ZINC001228717251 1033061316 /nfs/dbraw/zinc/06/13/16/1033061316.db2.gz XKWLOJBKUSRBEO-UHFFFAOYSA-N -1 3 398.431 3.515 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000836067710 1022604755 /nfs/dbraw/zinc/60/47/55/1022604755.db2.gz XTKGQIZQULLIDD-LLVKDONJSA-N -1 3 399.394 3.683 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[n-]n2)o1 ZINC000836067710 1022604764 /nfs/dbraw/zinc/60/47/64/1022604764.db2.gz XTKGQIZQULLIDD-LLVKDONJSA-N -1 3 399.394 3.683 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001140854411 1022706630 /nfs/dbraw/zinc/70/66/30/1022706630.db2.gz SRRSYTHENPYCEG-VQTJNVASSA-N -1 3 394.515 3.911 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000754439993 1022708117 /nfs/dbraw/zinc/70/81/17/1022708117.db2.gz KVOMJDMZHJPZHN-GFCCVEGCSA-N -1 3 399.285 3.883 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000754488317 1022735284 /nfs/dbraw/zinc/73/52/84/1022735284.db2.gz OHFLELHDGBUTMK-LBPRGKRZSA-N -1 3 379.243 3.686 20 0 GHADHM CC[C@H](CCOC)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000754582985 1022780836 /nfs/dbraw/zinc/78/08/36/1022780836.db2.gz QMCKKILJVPLKTH-OAHLLOKOSA-N -1 3 395.452 3.598 20 0 GHADHM Cc1cccc(CN2CC[C@]3(CCN(Cc4ccc([O-])c(F)c4F)C3)C2=O)c1 ZINC001140889348 1022806492 /nfs/dbraw/zinc/80/64/92/1022806492.db2.gz SJFHUJMGXYEGGX-QFIPXVFZSA-N -1 3 386.442 3.603 20 0 GHADHM O=C(CCc1cc(Br)c(Br)s1)[N-]OC1CCC1 ZINC001141020409 1023234064 /nfs/dbraw/zinc/23/40/64/1023234064.db2.gz HEQSDXOUFQXYAD-UHFFFAOYSA-N -1 3 383.105 3.806 20 0 GHADHM Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)[N-]OCC(N)=O ZINC000755444083 1023251692 /nfs/dbraw/zinc/25/16/92/1023251692.db2.gz LFJLTZUXAJNCNV-UHFFFAOYSA-N -1 3 398.246 3.941 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(OC)cc3OCc3ccccc3)ccc2[n-]1 ZINC001204853627 1033121143 /nfs/dbraw/zinc/12/11/43/1033121143.db2.gz QRHUGEOZCYMMIV-UHFFFAOYSA-N -1 3 389.411 3.951 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OC)cc3OCc3ccccc3)[n-]c-2n1 ZINC001204853627 1033121151 /nfs/dbraw/zinc/12/11/51/1033121151.db2.gz QRHUGEOZCYMMIV-UHFFFAOYSA-N -1 3 389.411 3.951 20 0 GHADHM O=C([N-][C@@H]1CCc2c1ccc(F)c2Br)C(F)(F)C1CCOCC1 ZINC000836883852 1023438868 /nfs/dbraw/zinc/43/88/68/1023438868.db2.gz XDYWSMIGJFGPLN-CYBMUJFWSA-N -1 3 392.215 3.754 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228857728 1033139487 /nfs/dbraw/zinc/13/94/87/1033139487.db2.gz NRKYGIMVWHUGSN-KBXCAEBGSA-N -1 3 379.428 3.638 20 0 GHADHM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000756363352 1023608213 /nfs/dbraw/zinc/60/82/13/1023608213.db2.gz PHSGSCZIKQSKSL-NSHDSACASA-N -1 3 375.158 3.562 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H](CC(C)(C)C)C(=O)[O-])cs2)cc1 ZINC000756362273 1023608499 /nfs/dbraw/zinc/60/84/99/1023608499.db2.gz PIMUFUATESWBNA-INIZCTEOSA-N -1 3 378.494 3.710 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000756786418 1023815157 /nfs/dbraw/zinc/81/51/57/1023815157.db2.gz CIAFXYRBWKUKKA-HWPZZCPQSA-N -1 3 387.785 3.818 20 0 GHADHM O=c1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c2cc(Cl)c([O-])cc2o1 ZINC000830966526 1024279171 /nfs/dbraw/zinc/27/91/71/1024279171.db2.gz ACJZMFYWTZGEEZ-XYPHTWIQSA-N -1 3 377.868 3.668 20 0 GHADHM O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC001138203575 1024358103 /nfs/dbraw/zinc/35/81/03/1024358103.db2.gz ASYDQXYEPDERGW-LJQANCHMSA-N -1 3 392.524 3.893 20 0 GHADHM Cc1nc(COc2cccc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)c2)cs1 ZINC000837398120 1024421752 /nfs/dbraw/zinc/42/17/52/1024421752.db2.gz OTYOZUULKJAILZ-UHFFFAOYSA-N -1 3 397.456 3.761 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001138262416 1024496978 /nfs/dbraw/zinc/49/69/78/1024496978.db2.gz GPDUZZRNCPPCNR-JTQLQIEISA-N -1 3 382.229 3.722 20 0 GHADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837498775 1024507704 /nfs/dbraw/zinc/50/77/04/1024507704.db2.gz YERLLTCOCJWFEL-SNVBAGLBSA-N -1 3 382.338 3.589 20 0 GHADHM O=C([N-]CC1CCN(C(=O)C2=C(c3ccccc3)CCCC2)CC1)C(F)(F)F ZINC000831723090 1024785547 /nfs/dbraw/zinc/78/55/47/1024785547.db2.gz IOHTXJBGMPMYCV-UHFFFAOYSA-N -1 3 394.437 3.931 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc([O-])ccc3Cl)C[C@@H]2C1 ZINC000838177739 1024974665 /nfs/dbraw/zinc/97/46/65/1024974665.db2.gz ZBLQYUCIKWUEBD-BFHYXJOUSA-N -1 3 394.899 3.811 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nn(C)c4c3CCCC4)nc(=O)c2c1C ZINC000838276459 1025038827 /nfs/dbraw/zinc/03/88/27/1025038827.db2.gz XUOYQGZSMUEHSQ-JTQLQIEISA-N -1 3 386.477 3.544 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001141437786 1025055427 /nfs/dbraw/zinc/05/54/27/1025055427.db2.gz XDKGZKYXUOQWLN-SECBINFHSA-N -1 3 387.274 3.705 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)CC2(Cl)Cl)c1 ZINC000832365172 1025487765 /nfs/dbraw/zinc/48/77/65/1025487765.db2.gz PUTCLXMPTJSDOB-CYBMUJFWSA-N -1 3 384.712 3.795 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 ZINC001138924945 1025592794 /nfs/dbraw/zinc/59/27/94/1025592794.db2.gz KHTBKOAFIDAYSW-OFNKIYASSA-N -1 3 381.472 3.689 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)co1 ZINC000832478516 1025593935 /nfs/dbraw/zinc/59/39/35/1025593935.db2.gz MQBIWJBSPBHRJF-UHFFFAOYSA-N -1 3 384.885 3.548 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3cccnc3)CC3(CCC3)C2)[n-]n1 ZINC001162885643 1025953755 /nfs/dbraw/zinc/95/37/55/1025953755.db2.gz XYQYICUMLCABBI-UHFFFAOYSA-N -1 3 382.464 3.601 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3cccnc3)CC3(CCC3)C2)n[n-]1 ZINC001162885643 1025953758 /nfs/dbraw/zinc/95/37/58/1025953758.db2.gz XYQYICUMLCABBI-UHFFFAOYSA-N -1 3 382.464 3.601 20 0 GHADHM CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001162960971 1025987784 /nfs/dbraw/zinc/98/77/84/1025987784.db2.gz FTKGGBSGWCGGNN-RKDXNWHRSA-N -1 3 394.875 3.503 20 0 GHADHM COc1cccc(CN2CCC(n3ccc4ccccc43)CC2)c1OCC(=O)[O-] ZINC001139270343 1026117118 /nfs/dbraw/zinc/11/71/18/1026117118.db2.gz ZEODNXKJXPKSGX-UHFFFAOYSA-N -1 3 394.471 3.950 20 0 GHADHM CSc1cccnc1[N-]C(=O)c1ccc2cncc(Br)c2n1 ZINC001164568675 1026554586 /nfs/dbraw/zinc/55/45/86/1026554586.db2.gz GYTOGOOPMCHJQJ-UHFFFAOYSA-N -1 3 375.251 3.762 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCc4ccccc4C3)CC2)c1 ZINC001164577736 1026557723 /nfs/dbraw/zinc/55/77/23/1026557723.db2.gz ZMPCSOPUCGQEEX-UHFFFAOYSA-N -1 3 390.483 3.928 20 0 GHADHM C[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)[C@H]1C ZINC001166613610 1027040180 /nfs/dbraw/zinc/04/01/80/1027040180.db2.gz GDPSIIINPNENJB-OLZOCXBDSA-N -1 3 381.448 3.785 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1ccc(Br)cc1F ZINC001209912855 1027272714 /nfs/dbraw/zinc/27/27/14/1027272714.db2.gz YZBXZVGKLXPADT-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM CCCCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(N)c2)cc1 ZINC001209918055 1027275333 /nfs/dbraw/zinc/27/53/33/1027275333.db2.gz ZVLIOFWTEVIRSZ-UHFFFAOYSA-N -1 3 377.466 3.727 20 0 GHADHM CC1(C)CC[C@H](OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1=O ZINC000840206389 1027345222 /nfs/dbraw/zinc/34/52/22/1027345222.db2.gz LWSLTPQCBTYDMN-MOPGFXCFSA-N -1 3 395.455 3.554 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)(C)C)s1 ZINC001210582726 1027564417 /nfs/dbraw/zinc/56/44/17/1027564417.db2.gz OLNMNEOESKETPB-MRXNPFEDSA-N -1 3 381.519 3.909 20 0 GHADHM COC(=O)C1CCN(c2ncc(Nc3cc(Cl)c([O-])cc3Cl)cn2)CC1 ZINC001210701116 1027609910 /nfs/dbraw/zinc/60/99/10/1027609910.db2.gz KBCWLLHNSJPLMF-UHFFFAOYSA-N -1 3 397.262 3.622 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CCCCC1 ZINC001210709815 1027615875 /nfs/dbraw/zinc/61/58/75/1027615875.db2.gz BOEXYUPAUUCSAG-AWEZNQCLSA-N -1 3 394.320 3.702 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC001210851113 1027679451 /nfs/dbraw/zinc/67/94/51/1027679451.db2.gz IKWWWYASLGGPKQ-AWEZNQCLSA-N -1 3 381.812 3.946 20 0 GHADHM CC1(NC(=S)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000840717937 1027758490 /nfs/dbraw/zinc/75/84/90/1027758490.db2.gz KFDGVAWJOHEFFD-UHFFFAOYSA-N -1 3 381.929 3.513 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001142019877 1027895668 /nfs/dbraw/zinc/89/56/68/1027895668.db2.gz QKSFVHGEAYDSPR-UHFFFAOYSA-N -1 3 381.411 3.560 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001142019877 1027895699 /nfs/dbraw/zinc/89/56/99/1027895699.db2.gz QKSFVHGEAYDSPR-UHFFFAOYSA-N -1 3 381.411 3.560 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@H](O)C(F)(F)F ZINC001211388835 1027938077 /nfs/dbraw/zinc/93/80/77/1027938077.db2.gz XYCUVYGKBYLYIU-CABZTGNLSA-N -1 3 394.242 3.590 20 0 GHADHM COc1cc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)ccc1Br ZINC001213259269 1028073133 /nfs/dbraw/zinc/07/31/33/1028073133.db2.gz RJDFFCAGIWWXKV-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCn3cc(CN4CCCC4)nc3C2)c(Cl)c1 ZINC001142109566 1028130650 /nfs/dbraw/zinc/13/06/50/1028130650.db2.gz VDWNEYGEGRXOPR-UHFFFAOYSA-N -1 3 381.307 3.507 20 0 GHADHM O=S(=O)([N-]C[C@]1(Cc2ccccc2)C=CCCC1)c1cccnc1Cl ZINC001213360937 1028135873 /nfs/dbraw/zinc/13/58/73/1028135873.db2.gz ZWXBXCAHPJGJFP-LJQANCHMSA-N -1 3 376.909 3.983 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(Cl)c1 ZINC001142111689 1028142628 /nfs/dbraw/zinc/14/26/28/1028142628.db2.gz VOUKSLWWPSQTRX-BEFAXECRSA-N -1 3 395.286 3.906 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](C(C)C)c3ccccc32)s1 ZINC001213371606 1028145562 /nfs/dbraw/zinc/14/55/62/1028145562.db2.gz RKYRZZZZZQZHLN-GJZGRUSLSA-N -1 3 379.503 3.698 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC001213391250 1028158204 /nfs/dbraw/zinc/15/82/04/1028158204.db2.gz LRYKISHVTZWLMO-LLVKDONJSA-N -1 3 392.290 3.622 20 0 GHADHM O=C1OC2(CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)c2cnccc21 ZINC001142118136 1028168127 /nfs/dbraw/zinc/16/81/27/1028168127.db2.gz BIWVJKHXJIIWKY-UHFFFAOYSA-N -1 3 379.243 3.756 20 0 GHADHM COc1cccc(C(=O)N2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)c1 ZINC001142118531 1028168357 /nfs/dbraw/zinc/16/83/57/1028168357.db2.gz PDBZVTXVQCAOIY-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001142118867 1028170178 /nfs/dbraw/zinc/17/01/78/1028170178.db2.gz CCJHHAIRFZIPMP-NRFANRHFSA-N -1 3 390.395 3.662 20 0 GHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1c(F)cccc1C1CC1 ZINC001213452073 1028199980 /nfs/dbraw/zinc/19/99/80/1028199980.db2.gz CSLBMOOXTLQKHT-UHFFFAOYSA-N -1 3 385.258 3.849 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2c2ccccc2)nc1Cl ZINC001213492821 1028224101 /nfs/dbraw/zinc/22/41/01/1028224101.db2.gz IKXDUHRRHOJTAH-GJZGRUSLSA-N -1 3 381.929 3.714 20 0 GHADHM CCOc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc(Br)c1OC ZINC001213500542 1028229379 /nfs/dbraw/zinc/22/93/79/1028229379.db2.gz JIEOBGHSQYPYMH-UHFFFAOYSA-N -1 3 399.632 3.950 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001213772734 1028372568 /nfs/dbraw/zinc/37/25/68/1028372568.db2.gz CJEUGCNJFDMBNN-INIZCTEOSA-N -1 3 387.517 3.954 20 0 GHADHM O=S(=O)([N-]CC=C(Cl)Cl)c1cc(Cl)ccc1Br ZINC001213800220 1028382602 /nfs/dbraw/zinc/38/26/02/1028382602.db2.gz XEIFFYZCWPEGNN-UHFFFAOYSA-N -1 3 379.490 3.700 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)c(F)cc1Br ZINC001213807637 1028385796 /nfs/dbraw/zinc/38/57/96/1028385796.db2.gz FZHJGWKVYLGHFT-INIZCTEOSA-N -1 3 399.285 3.721 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccccc1C(F)(F)F)c1ccc(F)cc1Cl ZINC001213831958 1028396901 /nfs/dbraw/zinc/39/69/01/1028396901.db2.gz QVEIIIFLSFSYIH-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)CCC2CCCC2)C(=O)OC(C)(C)C)c1 ZINC001213907184 1028444010 /nfs/dbraw/zinc/44/40/10/1028444010.db2.gz CXQNTNCOWNKPSK-GOSISDBHSA-N -1 3 381.538 3.878 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC001142279575 1028562154 /nfs/dbraw/zinc/56/21/54/1028562154.db2.gz BTWLGLCWOJBORB-UKRRQHHQSA-N -1 3 395.459 3.549 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)/C=C\c2ccccc2Cl)[C@@H]1O ZINC000841541643 1028723096 /nfs/dbraw/zinc/72/30/96/1028723096.db2.gz BANROSLHVILLSY-JAWCLOOUSA-N -1 3 399.921 3.565 20 0 GHADHM CC(C)=CCSC[C@H](NCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000841812543 1028959724 /nfs/dbraw/zinc/95/97/24/1028959724.db2.gz XPDLWETWUAKQGZ-KRWDZBQOSA-N -1 3 393.940 3.827 20 0 GHADHM COc1cc(-c2nc(-c3cc4c(cc3OC)C(=O)CCC4)no2)cc(OC)c1[O-] ZINC001215208329 1029090309 /nfs/dbraw/zinc/09/03/09/1029090309.db2.gz QKWWGURGIVDEEM-UHFFFAOYSA-N -1 3 396.399 3.654 20 0 GHADHM Cc1ccc(OCc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(N)c(N)c1 ZINC001215408676 1029194575 /nfs/dbraw/zinc/19/45/75/1029194575.db2.gz HATRCQSPJOTKPE-UHFFFAOYSA-N -1 3 383.473 3.539 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142660382 1029220616 /nfs/dbraw/zinc/22/06/16/1029220616.db2.gz QAEDQSNHEUPQDD-OAHLLOKOSA-N -1 3 382.888 3.917 20 0 GHADHM [O-]c1cc(F)c(Nc2ncc(Br)nc2N2CCCCC2)cc1F ZINC001215570447 1029287036 /nfs/dbraw/zinc/28/70/36/1029287036.db2.gz GGIHOCULJASNDL-UHFFFAOYSA-N -1 3 385.212 3.957 20 0 GHADHM Cc1cccc2sc(C(=O)Nc3[n-]nc4cc(C)n(C)c(=O)c43)c(Cl)c21 ZINC001142818107 1029526913 /nfs/dbraw/zinc/52/69/13/1029526913.db2.gz VQWRCZJBGNDWHJ-UHFFFAOYSA-N -1 3 386.864 3.999 20 0 GHADHM Cc1sc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)cc1-c1ccc(F)cc1 ZINC001142821589 1029532030 /nfs/dbraw/zinc/53/20/30/1029532030.db2.gz LXTMNCGEBJLOBC-UHFFFAOYSA-N -1 3 396.447 3.998 20 0 GHADHM FC(F)C1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000843011815 1029754479 /nfs/dbraw/zinc/75/44/79/1029754479.db2.gz KYTCPWHHSVIRIZ-UHFFFAOYSA-N -1 3 382.168 3.581 20 0 GHADHM C[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000843030530 1029770240 /nfs/dbraw/zinc/77/02/40/1029770240.db2.gz ZSNWHSRPQWANAL-LRDDRELGSA-N -1 3 397.435 3.602 20 0 GHADHM CCOc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[O-])n2)c(F)c1F ZINC001216743302 1029914962 /nfs/dbraw/zinc/91/49/62/1029914962.db2.gz QPWWRVAZNUTWOD-UHFFFAOYSA-N -1 3 378.331 3.803 20 0 GHADHM COc1ncc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)cc1Br ZINC001216895729 1029984968 /nfs/dbraw/zinc/98/49/68/1029984968.db2.gz ZYHNMIIYRGGKCL-UHFFFAOYSA-N -1 3 380.173 3.723 20 0 GHADHM Cc1cc(Cl)ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC001217019083 1030097764 /nfs/dbraw/zinc/09/77/64/1030097764.db2.gz JMYUMOJILLQIFH-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM Cc1cc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)ccc1Br ZINC001217354292 1030331315 /nfs/dbraw/zinc/33/13/15/1030331315.db2.gz CUUSEDGKXIFURA-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM [O-]c1cnc2ccccc2c1-c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001217441959 1030394894 /nfs/dbraw/zinc/39/48/94/1030394894.db2.gz UAPRJXGITKRVFN-UHFFFAOYSA-N -1 3 379.347 3.574 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001217470722 1030419314 /nfs/dbraw/zinc/41/93/14/1030419314.db2.gz BNXIYTDJSIUCHP-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(F)c(F)cc4Cl)no3)n[n-]c21 ZINC001217470722 1030419320 /nfs/dbraw/zinc/41/93/20/1030419320.db2.gz BNXIYTDJSIUCHP-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(C)c(OC)c(C)c2)no1 ZINC001217471585 1030420584 /nfs/dbraw/zinc/42/05/84/1030420584.db2.gz UMLPGQNKHPIHRW-UHFFFAOYSA-N -1 3 378.388 3.692 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(C)c(OC)c(C)c4)no3)n[n-]c21 ZINC001217471585 1030420592 /nfs/dbraw/zinc/42/05/92/1030420592.db2.gz UMLPGQNKHPIHRW-UHFFFAOYSA-N -1 3 378.388 3.692 20 0 GHADHM COc1cc(-c2noc(-c3ccc4[nH][n-]c(=O)c4c3)n2)ccc1Br ZINC001217474855 1030423596 /nfs/dbraw/zinc/42/35/96/1030423596.db2.gz WGTCFEPQXNCOLZ-UHFFFAOYSA-N -1 3 387.193 3.757 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cccc5c(C)n(C)nc54)no3)c2c1 ZINC001217499103 1030442070 /nfs/dbraw/zinc/44/20/70/1030442070.db2.gz DLFMGMPXJKSRLJ-UHFFFAOYSA-N -1 3 387.399 3.861 20 0 GHADHM CC(C)C(=O)N1CCCc2sc(C(=O)[N-]c3csc4cnccc34)nc21 ZINC001150335805 1030493884 /nfs/dbraw/zinc/49/38/84/1030493884.db2.gz XCPBUWXMURKGKO-UHFFFAOYSA-N -1 3 386.502 3.940 20 0 GHADHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)CC1=O ZINC001150365469 1030507057 /nfs/dbraw/zinc/50/70/57/1030507057.db2.gz BICVSKSXVHGGLF-HOCLYGCPSA-N -1 3 384.451 3.714 20 0 GHADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c2ccccc2n1 ZINC001150395235 1030515425 /nfs/dbraw/zinc/51/54/25/1030515425.db2.gz KXZUQFMRFPUVBH-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H]3COCc4ccccc43)nc21 ZINC001223401410 1030554852 /nfs/dbraw/zinc/55/48/52/1030554852.db2.gz ABNZJIAQEAGTBX-BEFAXECRSA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H]3COCc4ccccc43)[n-]c21 ZINC001223401410 1030554865 /nfs/dbraw/zinc/55/48/65/1030554865.db2.gz ABNZJIAQEAGTBX-BEFAXECRSA-N -1 3 390.798 3.956 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccccc2OC(C)C)no1 ZINC001217637950 1030562010 /nfs/dbraw/zinc/56/20/10/1030562010.db2.gz XUZMEWUXKOHHTM-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM CCC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(F)cc1F ZINC001150827830 1030676746 /nfs/dbraw/zinc/67/67/46/1030676746.db2.gz RYMJZNPMDQEHJY-GOSISDBHSA-N -1 3 390.430 3.756 20 0 GHADHM COc1ccc(F)cc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001151034025 1030750860 /nfs/dbraw/zinc/75/08/60/1030750860.db2.gz YZBYQZFLPDJSBR-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1cc(OC)ccc1[O-] ZINC001151202251 1030803745 /nfs/dbraw/zinc/80/37/45/1030803745.db2.gz SFALCSLNZFKPFH-UHFFFAOYSA-N -1 3 395.864 3.962 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001151372327 1030883114 /nfs/dbraw/zinc/88/31/14/1030883114.db2.gz HSAKDJYWXZICBD-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152459652 1031250238 /nfs/dbraw/zinc/25/02/38/1031250238.db2.gz FBZWEIPPJRYZCA-OAHLLOKOSA-N -1 3 389.455 3.834 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2cccc3c2[N-]C(=O)C3=O)c2ccccc2)cc1 ZINC001152460983 1031250286 /nfs/dbraw/zinc/25/02/86/1031250286.db2.gz WINIHNXZICHEOM-FQEVSTJZSA-N -1 3 384.435 3.844 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cc(C(F)(F)F)[n-]c(=S)n3)[C@H]1C2 ZINC001225851306 1031651562 /nfs/dbraw/zinc/65/15/62/1031651562.db2.gz VLQWZOZJLYBWRV-IVZWLZJFSA-N -1 3 391.415 3.561 20 0 GHADHM CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2cccnc2c1[O-] ZINC001153861597 1031777847 /nfs/dbraw/zinc/77/78/47/1031777847.db2.gz FXYJJFRPUPXOLB-MRXNPFEDSA-N -1 3 388.471 3.936 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c2cc[nH]c2n1 ZINC001153873914 1031785609 /nfs/dbraw/zinc/78/56/09/1031785609.db2.gz JUSPQJDORHPLSX-UHFFFAOYSA-N -1 3 397.232 3.679 20 0 GHADHM O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908199 1031804231 /nfs/dbraw/zinc/80/42/31/1031804231.db2.gz JMULIVMQXHIQNQ-HNNXBMFYSA-N -1 3 375.211 3.698 20 0 GHADHM O=C(NC1CCN(c2ncccc2Cl)CC1)c1c(O)cc2ccccc2c1[O-] ZINC001154030273 1031885903 /nfs/dbraw/zinc/88/59/03/1031885903.db2.gz ASOPDZYJXHFARB-UHFFFAOYSA-N -1 3 397.862 3.698 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC001154068303 1031908963 /nfs/dbraw/zinc/90/89/63/1031908963.db2.gz WFCCMRPZSLAPRG-HYVNUMGLSA-N -1 3 379.460 3.510 20 0 GHADHM CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC001154177622 1031969745 /nfs/dbraw/zinc/96/97/45/1031969745.db2.gz IZWGHJVBHGWWJH-OAQYLSRUSA-N -1 3 387.863 3.826 20 0 GHADHM COC(=O)C1(C)CC(Oc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC001226492455 1031981510 /nfs/dbraw/zinc/98/15/10/1031981510.db2.gz XJKPANWEFCGZNB-UHFFFAOYSA-N -1 3 380.396 3.886 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598117 1032033377 /nfs/dbraw/zinc/03/33/77/1032033377.db2.gz BDXXLAHKRPFFAC-DOMZBBRYSA-N -1 3 375.421 3.523 20 0 GHADHM O=C(CN1CCC(Oc2cccc([O-])c2Br)CC1)c1cccs1 ZINC001229140734 1033304698 /nfs/dbraw/zinc/30/46/98/1033304698.db2.gz DKKPWFBTTQQZFI-UHFFFAOYSA-N -1 3 396.306 3.942 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001156971505 1033346937 /nfs/dbraw/zinc/34/69/37/1033346937.db2.gz UOZWCOIFSVMFET-RTBURBONSA-N -1 3 380.488 3.663 20 0 GHADHM CCOc1ccc([C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2OC)c(OCC)c1 ZINC001229337305 1033421664 /nfs/dbraw/zinc/42/16/64/1033421664.db2.gz DPCOPGTZDJRIDI-CYBMUJFWSA-N -1 3 384.436 3.813 20 0 GHADHM CCOc1ccc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2OC)c(OCC)c1 ZINC001229337305 1033421671 /nfs/dbraw/zinc/42/16/71/1033421671.db2.gz DPCOPGTZDJRIDI-CYBMUJFWSA-N -1 3 384.436 3.813 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354568 1033434718 /nfs/dbraw/zinc/43/47/18/1033434718.db2.gz ZQWUGWAPELDUQL-YNEHKIRRSA-N -1 3 386.539 3.512 20 0 GHADHM Cc1ccccc1Oc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)nc1 ZINC001157232199 1033484168 /nfs/dbraw/zinc/48/41/68/1033484168.db2.gz BNXYCIIONUYTNU-LLVKDONJSA-N -1 3 391.353 3.810 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2nc(=S)[n-]c3sccc32)C1 ZINC001229569063 1033562662 /nfs/dbraw/zinc/56/26/62/1033562662.db2.gz JFOLSNMEHVNXOO-LLVKDONJSA-N -1 3 379.507 3.758 20 0 GHADHM C=Cc1cc([O-])cc2nc(-c3ccc(O[C@H]4CCS(=O)(=O)C4)c(F)c3)oc21 ZINC001229711903 1033657086 /nfs/dbraw/zinc/65/70/86/1033657086.db2.gz XWZIOVRNOGUDNW-AWEZNQCLSA-N -1 3 389.404 3.548 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cccc2c1NCCC2)C(F)(F)F ZINC001206351940 1033808655 /nfs/dbraw/zinc/80/86/55/1033808655.db2.gz ZSOIUZKXEOVFEJ-QGZVFWFLSA-N -1 3 389.421 3.655 20 0 GHADHM O=c1nc(O[C@H]2CCCc3cccnc32)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230187569 1033936012 /nfs/dbraw/zinc/93/60/12/1033936012.db2.gz ALAACOBJAMIQSB-FQEVSTJZSA-N -1 3 388.471 3.592 20 0 GHADHM CN1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC12CCCCC2 ZINC001158703861 1034240372 /nfs/dbraw/zinc/24/03/72/1034240372.db2.gz ZXTIJMZBKOWTTB-UHFFFAOYSA-N -1 3 382.460 3.555 20 0 GHADHM O=c1nc2cc(F)ccc2c(O/C(=C\[C@@H](O)C(F)(F)F)c2cccs2)[n-]1 ZINC001230885314 1034270595 /nfs/dbraw/zinc/27/05/95/1034270595.db2.gz WPBSTQDQGOTYSK-LWMSPQMPSA-N -1 3 386.326 3.879 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3cc(N(C)C)ccc3c2)c([O-])c1 ZINC001158862426 1034310690 /nfs/dbraw/zinc/31/06/90/1034310690.db2.gz YBNPTAWBAFJUOZ-UHFFFAOYSA-N -1 3 391.471 3.678 20 0 GHADHM CCN(Cc1cc(C(=O)[O-])ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231458485 1034602419 /nfs/dbraw/zinc/60/24/19/1034602419.db2.gz JWMWNJADXQYRPZ-UHFFFAOYSA-N -1 3 380.460 3.745 20 0 GHADHM CC(=O)Nc1ccc(CC(=O)Nc2c(C)c(Br)ccc2[O-])cc1 ZINC001159552308 1034661175 /nfs/dbraw/zinc/66/11/75/1034661175.db2.gz ZNDTUFKIPAWXLG-UHFFFAOYSA-N -1 3 377.238 3.603 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc2cc(F)ccc2[nH]c1=O ZINC001159557953 1034663031 /nfs/dbraw/zinc/66/30/31/1034663031.db2.gz WDADTTWIUVIZGJ-UHFFFAOYSA-N -1 3 391.196 3.696 20 0 GHADHM [O-]c1ccc(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1C(F)(F)F ZINC001231521765 1034671894 /nfs/dbraw/zinc/67/18/94/1034671894.db2.gz IJAIDXDTUIQCOX-KXBFYZLASA-N -1 3 394.393 3.618 20 0 GHADHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001208051729 1034719592 /nfs/dbraw/zinc/71/95/92/1034719592.db2.gz FPEHXXTXXHEHBU-UHFFFAOYSA-N -1 3 388.514 3.648 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1ccc(C(F)(F)F)nc1Cl ZINC001208215423 1034806235 /nfs/dbraw/zinc/80/62/35/1034806235.db2.gz FQPNXOVIBVUZJH-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM Cc1cccc2cc(CN3CCC([N-]C(=O)C(F)(F)F)CC3)c(Cl)nc12 ZINC001231652631 1034808828 /nfs/dbraw/zinc/80/88/28/1034808828.db2.gz RNLOCAQWKILVAI-UHFFFAOYSA-N -1 3 385.817 3.840 20 0 GHADHM CC(C)NC(=O)N[C@H]1CCCN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231681971 1034831068 /nfs/dbraw/zinc/83/10/68/1034831068.db2.gz MQQHNRROKKCKNP-SFHVURJKSA-N -1 3 395.503 3.724 20 0 GHADHM CC(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231683229 1034832696 /nfs/dbraw/zinc/83/26/96/1034832696.db2.gz YEWQRUSEFFBUMJ-GOSISDBHSA-N -1 3 380.488 3.788 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Br)c(Br)c1 ZINC001208443080 1034898897 /nfs/dbraw/zinc/89/88/97/1034898897.db2.gz RUXLBFJKPJJXPO-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Br)c(Br)c1 ZINC001208443080 1034898919 /nfs/dbraw/zinc/89/89/19/1034898919.db2.gz RUXLBFJKPJJXPO-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001231791408 1034911221 /nfs/dbraw/zinc/91/12/21/1034911221.db2.gz MUSLSXTYQPIZAI-FQEVSTJZSA-N -1 3 381.472 3.689 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001231791017 1034911376 /nfs/dbraw/zinc/91/13/76/1034911376.db2.gz HLVKYYULTGZGQG-OFNKIYASSA-N -1 3 381.472 3.689 20 0 GHADHM FC(F)(NCc1ccn(Cc2ccccc2)n1)c1cc(Cl)nc(=S)[n-]1 ZINC001160384618 1034962704 /nfs/dbraw/zinc/96/27/04/1034962704.db2.gz KMRMUSPKAFRNCH-UHFFFAOYSA-N -1 3 381.839 3.503 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001160588269 1035010937 /nfs/dbraw/zinc/01/09/37/1035010937.db2.gz NHRSLNCLBCSMQX-HNNXBMFYSA-N -1 3 389.320 3.656 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC001160589292 1035011240 /nfs/dbraw/zinc/01/12/40/1035011240.db2.gz ZAVKTGVINYWHEI-UHFFFAOYSA-N -1 3 393.414 3.747 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCc2ccccc21 ZINC001208846991 1035054893 /nfs/dbraw/zinc/05/48/93/1035054893.db2.gz UAFFKTNOMYRGAR-HNNXBMFYSA-N -1 3 399.541 3.540 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1ccc(C)cc1 ZINC001208976001 1035136722 /nfs/dbraw/zinc/13/67/22/1035136722.db2.gz FKDWLQVWWKANOA-GFCCVEGCSA-N -1 3 387.274 3.721 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@H](NCc2ccccc2)C(F)(F)F)c([O-])c1 ZINC001161360653 1035216551 /nfs/dbraw/zinc/21/65/51/1035216551.db2.gz RUTBEAUTPLIJRJ-SFHVURJKSA-N -1 3 380.410 3.966 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1Cl)C(C)C ZINC001209652796 1035343042 /nfs/dbraw/zinc/34/30/42/1035343042.db2.gz VPRYESLFTQNCQE-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM COc1ccc(-c2noc(Cc3ccc([O-])cc3F)n2)cc1Br ZINC001248142352 1035561887 /nfs/dbraw/zinc/56/18/87/1035561887.db2.gz MDLOCBYCTISOER-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001248249735 1035698533 /nfs/dbraw/zinc/69/85/33/1035698533.db2.gz MMTRPNCHSKRRRG-INIZCTEOSA-N -1 3 381.823 3.524 20 0 GHADHM Cc1cc(Br)ccc1NC(=S)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001248301371 1035739281 /nfs/dbraw/zinc/73/92/81/1035739281.db2.gz JKIPFDWGUPHSNS-UHFFFAOYSA-N -1 3 379.283 3.939 20 0 GHADHM O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2F)no1)c1ccccc1[O-] ZINC001248499565 1035917806 /nfs/dbraw/zinc/91/78/06/1035917806.db2.gz HDXIIUXLHMKOIM-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM O=C(NCc1nc(-c2cc(C(F)(F)F)ccc2F)no1)c1ccccc1[O-] ZINC001248499951 1035917841 /nfs/dbraw/zinc/91/78/41/1035917841.db2.gz WNVGARSDDGPNQY-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(-c2ccc(F)c([O-])c2)ncn1 ZINC001243046718 1036018869 /nfs/dbraw/zinc/01/88/69/1036018869.db2.gz HATMJNXYGPNWLL-RVDMUPIBSA-N -1 3 396.374 3.941 20 0 GHADHM Cc1scc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1C ZINC001462071402 1069979086 /nfs/dbraw/zinc/97/90/86/1069979086.db2.gz UVZDRAOAAJWFDI-UHFFFAOYSA-N -1 3 398.525 3.511 20 0 GHADHM Fc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc(F)c1N1CCOCC1 ZINC001243837184 1036295928 /nfs/dbraw/zinc/29/59/28/1036295928.db2.gz LQSOSQCGUAERMX-UHFFFAOYSA-N -1 3 377.338 3.566 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244096421 1036379415 /nfs/dbraw/zinc/37/94/15/1036379415.db2.gz LNACNOWHPKWGOP-QGZVFWFLSA-N -1 3 388.370 3.528 20 0 GHADHM COc1cccc(-n2cc(-c3ccc(OC(F)(F)F)cc3[O-])ncc2=O)c1 ZINC001244467499 1036515950 /nfs/dbraw/zinc/51/59/50/1036515950.db2.gz OPKROECTHLJUFH-UHFFFAOYSA-N -1 3 378.306 3.512 20 0 GHADHM CC(=O)NC[C@H]1CN(c2ccc(-c3cc(C)c([O-])c(Cl)c3)c(F)c2)C(=O)O1 ZINC001244546772 1036540038 /nfs/dbraw/zinc/54/00/38/1036540038.db2.gz ISLGOMBRUYSOFB-AWEZNQCLSA-N -1 3 392.814 3.621 20 0 GHADHM [O-]c1ccc(NC(=S)NCCc2ccccc2)cc1I ZINC001245320592 1036875882 /nfs/dbraw/zinc/87/58/82/1036875882.db2.gz NZRNADLBOYALCY-UHFFFAOYSA-N -1 3 398.269 3.526 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3ncc(Br)cn3)CC2)c1Cl ZINC001232788280 1038555640 /nfs/dbraw/zinc/55/56/40/1038555640.db2.gz LVRHNIHPPMWOAV-UHFFFAOYSA-N -1 3 398.688 3.642 20 0 GHADHM COC(=O)c1ccc(CN2CCN(Cc3cccc([O-])c3Cl)[C@H](C)C2)cc1 ZINC001232788320 1038556449 /nfs/dbraw/zinc/55/64/49/1038556449.db2.gz MSTCENKEUOGOQW-OAHLLOKOSA-N -1 3 388.895 3.539 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1I ZINC001232872762 1038637241 /nfs/dbraw/zinc/63/72/41/1038637241.db2.gz IUAUVUZMEHZIJC-AWEZNQCLSA-N -1 3 394.256 3.771 20 0 GHADHM [O-]c1ccc(CN2CCOC3(CCCCC3)C2)cc1I ZINC001232871376 1038642415 /nfs/dbraw/zinc/64/24/15/1038642415.db2.gz ZPEUOORKJADBIJ-UHFFFAOYSA-N -1 3 387.261 3.532 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232936807 1038718112 /nfs/dbraw/zinc/71/81/12/1038718112.db2.gz WMVNPQQIDDTPKB-HNNXBMFYSA-N -1 3 378.463 3.579 20 0 GHADHM [O-]c1cc(CN2CC(c3ncn4cc(Br)ccc34)C2)cc(F)c1F ZINC001232976034 1038746700 /nfs/dbraw/zinc/74/67/00/1038746700.db2.gz UNGFICOPBPAIST-UHFFFAOYSA-N -1 3 394.219 3.680 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233032950 1038787527 /nfs/dbraw/zinc/78/75/27/1038787527.db2.gz WNPVTQIECCOBST-LJQANCHMSA-N -1 3 381.904 3.806 20 0 GHADHM Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ncc1[O-] ZINC001233034952 1038790390 /nfs/dbraw/zinc/79/03/90/1038790390.db2.gz UEFOCMVEBPFBTC-XYPWUTKMSA-N -1 3 375.904 3.832 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001233036802 1038791640 /nfs/dbraw/zinc/79/16/40/1038791640.db2.gz WGHGTNBMECANCH-FQEVSTJZSA-N -1 3 375.875 3.820 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233038632 1038794694 /nfs/dbraw/zinc/79/46/94/1038794694.db2.gz XSFDMLKHJCGVMK-UHFFFAOYSA-N -1 3 385.917 3.505 20 0 GHADHM CC(C)NC(=O)c1ccccc1OC1CCN(Cc2cccc([O-])c2F)CC1 ZINC001233056763 1038820008 /nfs/dbraw/zinc/82/00/08/1038820008.db2.gz HUOQLNUWINVUIB-UHFFFAOYSA-N -1 3 386.467 3.713 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001462320083 1070168335 /nfs/dbraw/zinc/16/83/35/1070168335.db2.gz PRFGENASPYGVSA-UHFFFAOYSA-N -1 3 383.492 3.927 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1 ZINC001233394253 1039226745 /nfs/dbraw/zinc/22/67/45/1039226745.db2.gz GQFABDZKGPRLPW-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM [O-]c1ccc(F)c(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1F ZINC001233394384 1039227936 /nfs/dbraw/zinc/22/79/36/1039227936.db2.gz LOPOOOYTJIPXSC-WIYYLYMNSA-N -1 3 390.430 3.516 20 0 GHADHM O=C(c1ccco1)N1CCCC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394605 1039228146 /nfs/dbraw/zinc/22/81/46/1039228146.db2.gz TWYSCTWWYRMXFY-UHFFFAOYSA-N -1 3 376.403 3.534 20 0 GHADHM Cn1cnc2c1[C@@H](COCC1CCCC1)CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233394314 1039228481 /nfs/dbraw/zinc/22/84/81/1039228481.db2.gz JPUAKWCBBCKBNB-OAHLLOKOSA-N -1 3 391.462 3.710 20 0 GHADHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233395186 1039231068 /nfs/dbraw/zinc/23/10/68/1039231068.db2.gz OTCWBLDHZOHDNK-OAHLLOKOSA-N -1 3 378.463 3.579 20 0 GHADHM COc1ccc(CN2CCC(c3noc(C(F)(F)F)n3)CC2)c(Cl)c1[O-] ZINC001233400559 1039239935 /nfs/dbraw/zinc/23/99/35/1039239935.db2.gz OAEHRVCSLLUQHM-UHFFFAOYSA-N -1 3 391.777 3.836 20 0 GHADHM COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(Cl)c1[O-] ZINC001233400262 1039241753 /nfs/dbraw/zinc/24/17/53/1039241753.db2.gz BHJBPGCZEIZUSK-TZMCWYRMSA-N -1 3 384.904 3.932 20 0 GHADHM COc1cc(-c2nnc(-c3cccc(Br)c3)o2)cc(OC)c1[O-] ZINC001253158714 1039453657 /nfs/dbraw/zinc/45/36/57/1039453657.db2.gz PSBJPOCLODQIPB-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001233593025 1039465676 /nfs/dbraw/zinc/46/56/76/1039465676.db2.gz SOTVMQXYVBALGG-ZDUSSCGKSA-N -1 3 383.872 3.901 20 0 GHADHM O=C1C[C@H]2C[C@H](Oc3c(Cl)ccc([O-])c3F)[C@@H](C1)N2Cc1ccccc1 ZINC001234263378 1039943517 /nfs/dbraw/zinc/94/35/17/1039943517.db2.gz YTNHHIMBHPULAJ-XCRHUMRWSA-N -1 3 375.827 3.938 20 0 GHADHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001254215275 1040070242 /nfs/dbraw/zinc/07/02/42/1040070242.db2.gz HLLGDZHCOKUVIL-AWEZNQCLSA-N -1 3 379.382 3.831 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1OC1Cc2ccccc2C1 ZINC001234606964 1040163084 /nfs/dbraw/zinc/16/30/84/1040163084.db2.gz TYOLETQVYGAHJU-UHFFFAOYSA-N -1 3 377.234 3.878 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(OC3CCOCC3)c-2o1 ZINC001234731134 1040259552 /nfs/dbraw/zinc/25/95/52/1040259552.db2.gz BOTJQCWOVLLACR-UHFFFAOYSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1C(C)=O ZINC001234791543 1040322374 /nfs/dbraw/zinc/32/23/74/1040322374.db2.gz OGSWPKOYHYZCRF-UTKZUKDTSA-N -1 3 399.487 3.580 20 0 GHADHM CCOc1cnc(Br)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC001254711519 1040471113 /nfs/dbraw/zinc/47/11/13/1040471113.db2.gz TUFCLIRSYVPANZ-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM O=C(NCCC(F)(F)F)[C@@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001277918163 1040528942 /nfs/dbraw/zinc/52/89/42/1040528942.db2.gz BAZIEZNBBGDMFE-ZDUSSCGKSA-N -1 3 390.833 3.716 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)O1 ZINC001462531892 1070334723 /nfs/dbraw/zinc/33/47/23/1070334723.db2.gz HBMXKMGSZVMIEX-KSFYIVLOSA-N -1 3 388.458 3.536 20 0 GHADHM Cc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001255977461 1041453332 /nfs/dbraw/zinc/45/33/32/1041453332.db2.gz WZZUNZOEXKDXDJ-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256101738 1041528474 /nfs/dbraw/zinc/52/84/74/1041528474.db2.gz BISNGFWLICYQNL-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM CC(C)NC(=O)N1CCC[C@]2(CCCN(Cc3cccc([O-])c3Cl)C2)C1 ZINC001278911074 1041528917 /nfs/dbraw/zinc/52/89/17/1041528917.db2.gz VQFGMBNWVOUCOH-FQEVSTJZSA-N -1 3 379.932 3.842 20 0 GHADHM CCCOc1c(F)c(F)c(-c2cc(-c3nnn[n-]3)ccc2OC)c(F)c1F ZINC001236329881 1041674386 /nfs/dbraw/zinc/67/43/86/1041674386.db2.gz QVWBZFVJPOIABP-UHFFFAOYSA-N -1 3 382.317 3.888 20 0 GHADHM CCCOc1c(F)c(F)c(-c2cc(-c3nn[n-]n3)ccc2OC)c(F)c1F ZINC001236329881 1041674389 /nfs/dbraw/zinc/67/43/89/1041674389.db2.gz QVWBZFVJPOIABP-UHFFFAOYSA-N -1 3 382.317 3.888 20 0 GHADHM CCCCCCc1nnc(-c2cc(I)c([O-])cc2O)o1 ZINC001256400221 1041719080 /nfs/dbraw/zinc/71/90/80/1041719080.db2.gz ICZQVJISNQHGRI-UHFFFAOYSA-N -1 3 388.205 3.875 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c([O-])c2)[C@@H](C(F)(F)F)C1 ZINC001236713238 1041849312 /nfs/dbraw/zinc/84/93/12/1041849312.db2.gz NRTMPMWEDYFEBR-CQSZACIVSA-N -1 3 378.366 3.515 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)s1 ZINC001237151659 1042065706 /nfs/dbraw/zinc/06/57/06/1042065706.db2.gz YXPBXIKKEHASFB-UHFFFAOYSA-N -1 3 391.924 3.659 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCN(Cc1cc(Cl)nc(Cl)c1[O-])C2 ZINC001237518997 1042247955 /nfs/dbraw/zinc/24/79/55/1042247955.db2.gz BEOQZCNXEQOZQT-QGZVFWFLSA-N -1 3 398.315 3.785 20 0 GHADHM COC(=O)c1ccc(C2CCCCC2)c([N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC001237985183 1042444592 /nfs/dbraw/zinc/44/45/92/1042444592.db2.gz HZYWTXSBKPWWOU-UHFFFAOYSA-N -1 3 388.489 3.904 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001238237874 1042528750 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C[C@@H](Cc1cccc(O)c1)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001297827558 1045630237 /nfs/dbraw/zinc/63/02/37/1045630237.db2.gz QNEMZQTVOSMFCJ-NSHDSACASA-N -1 3 377.466 3.557 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cncc(OC(F)F)c1 ZINC001260819252 1045685668 /nfs/dbraw/zinc/68/56/68/1045685668.db2.gz VQYKHYVTJRDABL-UHFFFAOYSA-N -1 3 383.203 3.932 20 0 GHADHM COc1cc(OC)c(C[C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1 ZINC001298070056 1045693998 /nfs/dbraw/zinc/69/39/98/1045693998.db2.gz RGXHPHDGWMPOIH-CQSZACIVSA-N -1 3 387.476 3.902 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cnc(Br)c(F)c1 ZINC001260829194 1045697997 /nfs/dbraw/zinc/69/79/97/1045697997.db2.gz VKJHXJSONVQNPQ-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM Cc1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1C ZINC001260909505 1045764625 /nfs/dbraw/zinc/76/46/25/1045764625.db2.gz PMUKAZKDVXBCEM-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1Cl)c1cnc(-c2ccccc2)s1 ZINC001462951729 1070684876 /nfs/dbraw/zinc/68/48/76/1070684876.db2.gz CTMXQTZEJZODKZ-UHFFFAOYSA-N -1 3 378.906 3.985 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)cc1Cl ZINC001260975620 1045792212 /nfs/dbraw/zinc/79/22/12/1045792212.db2.gz LGPNULINRXCRRL-CQSZACIVSA-N -1 3 395.786 3.636 20 0 GHADHM O=S(=O)([N-]c1cc(Br)cnc1F)c1ccc2c(c1)CCCC2 ZINC001260977960 1045794153 /nfs/dbraw/zinc/79/41/53/1045794153.db2.gz SVYXELTTZXGPAW-UHFFFAOYSA-N -1 3 385.258 3.663 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260982376 1045797045 /nfs/dbraw/zinc/79/70/45/1045797045.db2.gz KXFDBSDAQCNLTH-UHFFFAOYSA-N -1 3 379.865 3.806 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1cc(C(F)(F)F)ccc1F ZINC000488674207 1045822054 /nfs/dbraw/zinc/82/20/54/1045822054.db2.gz PYHDCQMXOADEKS-CQSZACIVSA-N -1 3 377.334 3.949 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cnccc21)c1ccc(F)cc1C(F)(F)F ZINC001261014220 1045838939 /nfs/dbraw/zinc/83/89/39/1045838939.db2.gz SXLBEJFLDGVEAM-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=S(=O)([N-]c1cnnc(Cl)c1Cl)c1ccc(F)c(C(F)(F)F)c1 ZINC001261015507 1045839950 /nfs/dbraw/zinc/83/99/50/1045839950.db2.gz YKFJOSIPIYLPFH-UHFFFAOYSA-N -1 3 390.145 3.742 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](O)Cc1ccccc1Cl ZINC001298513172 1045844328 /nfs/dbraw/zinc/84/43/28/1045844328.db2.gz HPTJRUPSYDSTJB-AWEZNQCLSA-N -1 3 384.657 3.659 20 0 GHADHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001462976333 1070703187 /nfs/dbraw/zinc/70/31/87/1070703187.db2.gz PKKDGPBWKXWJJZ-GFCCVEGCSA-N -1 3 391.386 3.942 20 0 GHADHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1Br ZINC001261030875 1045856153 /nfs/dbraw/zinc/85/61/53/1045856153.db2.gz NRLXJGSJIHMVSD-UHFFFAOYSA-N -1 3 378.679 3.552 20 0 GHADHM O=S(=O)([N-]c1c(Cl)ncc2ccccc21)c1ccc(Cl)c2nonc21 ZINC001261066635 1045884747 /nfs/dbraw/zinc/88/47/47/1045884747.db2.gz GRUGZDDBHWNMTB-UHFFFAOYSA-N -1 3 395.227 3.879 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1cncc(OC(F)F)c1 ZINC001261078454 1045893370 /nfs/dbraw/zinc/89/33/70/1045893370.db2.gz RISZQUZOBMINKH-UHFFFAOYSA-N -1 3 383.203 3.932 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)[n-]1 ZINC001261232788 1045931269 /nfs/dbraw/zinc/93/12/69/1045931269.db2.gz UAVIRSBJYLIFEG-UHFFFAOYSA-N -1 3 380.400 3.738 20 0 GHADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3ncc(C(C)(C)O)s3)on2)c1 ZINC001298772894 1045944745 /nfs/dbraw/zinc/94/47/45/1045944745.db2.gz DFNLRARLTQKHGE-UHFFFAOYSA-N -1 3 393.852 3.940 20 0 GHADHM C[C@@H](c1ccccc1)n1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cn1 ZINC001299793908 1046041128 /nfs/dbraw/zinc/04/11/28/1046041128.db2.gz CPHLWFNHXYQYNY-LBPRGKRZSA-N -1 3 394.381 3.864 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2)[n-]n1 ZINC001299811986 1046048767 /nfs/dbraw/zinc/04/87/67/1046048767.db2.gz YKYWQHMMSWZPKP-UHFFFAOYSA-N -1 3 394.269 3.699 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2)n[n-]1 ZINC001299811986 1046048783 /nfs/dbraw/zinc/04/87/83/1046048783.db2.gz YKYWQHMMSWZPKP-UHFFFAOYSA-N -1 3 394.269 3.699 20 0 GHADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299814045 1046051506 /nfs/dbraw/zinc/05/15/06/1046051506.db2.gz SIWKPZIPPFOKPA-UHFFFAOYSA-N -1 3 376.482 3.579 20 0 GHADHM Cc1nc(C2CCC2)sc1CC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299814045 1046051518 /nfs/dbraw/zinc/05/15/18/1046051518.db2.gz SIWKPZIPPFOKPA-UHFFFAOYSA-N -1 3 376.482 3.579 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1cc2c(cc1[O-])OCO2 ZINC001299973466 1046122949 /nfs/dbraw/zinc/12/29/49/1046122949.db2.gz RLPRVSBQACLGKQ-FQEVSTJZSA-N -1 3 383.444 3.535 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001463041396 1070751514 /nfs/dbraw/zinc/75/15/14/1070751514.db2.gz PYAPNUDYGDGAOB-CQSZACIVSA-N -1 3 393.465 3.602 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(Cc2ccc(C)cc2)CC1 ZINC001263009669 1046497442 /nfs/dbraw/zinc/49/74/42/1046497442.db2.gz FLPLHKWVWWNHOW-UHFFFAOYSA-N -1 3 392.507 3.537 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC001463091749 1070786681 /nfs/dbraw/zinc/78/66/81/1070786681.db2.gz PZDIKGKWBUIMTL-LBPRGKRZSA-N -1 3 386.336 3.827 20 0 GHADHM COc1cc(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)cc(OC)c1[O-] ZINC001302034924 1046788098 /nfs/dbraw/zinc/78/80/98/1046788098.db2.gz YWMKBQQAQUYLKO-UHFFFAOYSA-N -1 3 392.814 3.656 20 0 GHADHM O=C(N[C@@H]1CCCC12CC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001302150735 1046842025 /nfs/dbraw/zinc/84/20/25/1046842025.db2.gz YQWQGTBFKPCUHC-GOSISDBHSA-N -1 3 388.464 3.689 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc[nH]c1C(C)C ZINC001302292904 1046902145 /nfs/dbraw/zinc/90/21/45/1046902145.db2.gz CJEHOSVDHIYFEL-UHFFFAOYSA-N -1 3 381.436 3.683 20 0 GHADHM CC[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1Br ZINC001263621427 1047002207 /nfs/dbraw/zinc/00/22/07/1047002207.db2.gz CCYQHKSNHKKEBW-OAHLLOKOSA-N -1 3 379.254 3.799 20 0 GHADHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1cc(-c2c(F)cccc2F)no1 ZINC001264309657 1047307799 /nfs/dbraw/zinc/30/77/99/1047307799.db2.gz GIGIPRXLEFJARP-UHFFFAOYSA-N -1 3 387.317 3.896 20 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379.359 3.598 20 0 GHADHM CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001266024941 1047702961 /nfs/dbraw/zinc/70/29/61/1047702961.db2.gz WBJPQDLAVLNFGU-WMLDXEAASA-N -1 3 384.517 3.553 20 0 GHADHM O=C(CC=Cc1ccc(F)cc1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304565604 1047715042 /nfs/dbraw/zinc/71/50/42/1047715042.db2.gz KGDSFKJIURWLDU-DAXSKMNVSA-N -1 3 379.391 3.948 20 0 GHADHM O=C(CC=Cc1ccc(F)cc1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304565604 1047715045 /nfs/dbraw/zinc/71/50/45/1047715045.db2.gz KGDSFKJIURWLDU-DAXSKMNVSA-N -1 3 379.391 3.948 20 0 GHADHM O=C(Nc1nc2c(cccc2[O-])s1)[C@H]1CC12CN(CCCC(F)(F)F)C2 ZINC001279889964 1047981735 /nfs/dbraw/zinc/98/17/35/1047981735.db2.gz XQFOQTIVWPFTRG-SNVBAGLBSA-N -1 3 385.411 3.605 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)s1 ZINC001463282024 1070960539 /nfs/dbraw/zinc/96/05/39/1070960539.db2.gz GGECGTPYCGRAMZ-QGZVFWFLSA-N -1 3 397.493 3.884 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cnc4cnccc4c3)n[n-]2)cc1 ZINC001305447544 1048059648 /nfs/dbraw/zinc/05/96/48/1048059648.db2.gz XQLYWBLYVNALPI-UHFFFAOYSA-N -1 3 376.445 3.601 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001288088443 1048980337 /nfs/dbraw/zinc/98/03/37/1048980337.db2.gz NUFNXVFSRPOMID-ZZXKWVIFSA-N -1 3 383.757 3.847 20 0 GHADHM CCc1cc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)nc(C)n1 ZINC001307189591 1049127908 /nfs/dbraw/zinc/12/79/08/1049127908.db2.gz HNVRSMVCVUQBHY-CYBMUJFWSA-N -1 3 378.398 3.651 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(F)cc1Br ZINC001307741753 1049554833 /nfs/dbraw/zinc/55/48/33/1049554833.db2.gz KKYPBGULDLPGQV-UHFFFAOYSA-N -1 3 392.228 3.976 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnc4c(F)cccc4c3)nc21 ZINC001289644721 1049574340 /nfs/dbraw/zinc/57/43/40/1049574340.db2.gz VAUPFPSRAQMNPZ-UHFFFAOYSA-N -1 3 378.363 3.679 20 0 GHADHM O=C(Nc1ccc(Br)cc1F)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001290107770 1049733497 /nfs/dbraw/zinc/73/34/97/1049733497.db2.gz SEBFCQWANDTWQB-UHFFFAOYSA-N -1 3 397.150 3.960 20 0 GHADHM CC1(C)CC[C@@H](CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)OC1 ZINC001308011965 1049761295 /nfs/dbraw/zinc/76/12/95/1049761295.db2.gz ISNCFGJNLAUHFB-GJZGRUSLSA-N -1 3 384.442 3.864 20 0 GHADHM Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nc1 ZINC001290622919 1049888408 /nfs/dbraw/zinc/88/84/08/1049888408.db2.gz PFSKSHYIIWRAQS-UHFFFAOYSA-N -1 3 397.456 3.806 20 0 GHADHM CC(C)c1ccc(OCCNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001290954366 1049959894 /nfs/dbraw/zinc/95/98/94/1049959894.db2.gz JZJCRSWGPMKJSU-UHFFFAOYSA-N -1 3 386.398 3.739 20 0 GHADHM CCN(Cc1cccc([O-])c1Br)Cc1nc2ccccc2c(=O)[nH]1 ZINC001308652289 1050048584 /nfs/dbraw/zinc/04/85/84/1050048584.db2.gz JNRFFIKZNXXZFK-UHFFFAOYSA-N -1 3 388.265 3.826 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)c1 ZINC001309051196 1050303501 /nfs/dbraw/zinc/30/35/01/1050303501.db2.gz ULSKNBLNFDCABR-KRWDZBQOSA-N -1 3 379.453 3.678 20 0 GHADHM O=S(=O)([N-]CCN1CCCc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC001309124497 1050381075 /nfs/dbraw/zinc/38/10/75/1050381075.db2.gz FFBULWUHALLLIS-UHFFFAOYSA-N -1 3 399.541 3.541 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC)c2ccc(C)cc2)c(F)c1 ZINC001309135467 1050392191 /nfs/dbraw/zinc/39/21/91/1050392191.db2.gz VAFQVLCYAUAOHX-KRWDZBQOSA-N -1 3 379.453 3.740 20 0 GHADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001309146128 1050400306 /nfs/dbraw/zinc/40/03/06/1050400306.db2.gz NRKQCFDUVHJVHK-CQSZACIVSA-N -1 3 386.286 3.888 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001309150629 1050405210 /nfs/dbraw/zinc/40/52/10/1050405210.db2.gz YTQBPFBBGYIYSZ-QWHCGFSZSA-N -1 3 375.332 3.727 20 0 GHADHM Cc1cc(C)c(CC[N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC001309336603 1050606287 /nfs/dbraw/zinc/60/62/87/1050606287.db2.gz WUQQSMXBWHKSJB-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C(C)C)c1 ZINC001309384007 1050663833 /nfs/dbraw/zinc/66/38/33/1050663833.db2.gz DYMIQZJFMRRKGQ-YJBOKZPZSA-N -1 3 393.530 3.773 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001309438327 1050719357 /nfs/dbraw/zinc/71/93/57/1050719357.db2.gz XLQZXWMBDIISFT-UHFFFAOYSA-N -1 3 392.777 3.858 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1)C(F)(F)F ZINC001309449529 1050727860 /nfs/dbraw/zinc/72/78/60/1050727860.db2.gz GJKWFPFGRYWHIO-PRHODGIISA-N -1 3 393.349 3.969 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCCC1 ZINC001309496376 1050763596 /nfs/dbraw/zinc/76/35/96/1050763596.db2.gz YSMCISSSUFLMRL-GFCCVEGCSA-N -1 3 381.723 3.745 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC001309634806 1050883714 /nfs/dbraw/zinc/88/37/14/1050883714.db2.gz USIBFZSOFIZGDK-XYPYZODXSA-N -1 3 396.734 3.727 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cnco2)c1)c1cnc(Cl)c(Cl)c1 ZINC001309641228 1050888576 /nfs/dbraw/zinc/88/85/76/1050888576.db2.gz GVLJVPZVUQBCDY-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)c2ccccc12 ZINC001309782224 1050971338 /nfs/dbraw/zinc/97/13/38/1050971338.db2.gz LSTAOZUUBGXLLR-UHFFFAOYSA-N -1 3 395.814 3.933 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccncc1)C1CC1)c1c2ncsc2ccc1Cl ZINC001309932244 1051053880 /nfs/dbraw/zinc/05/38/80/1051053880.db2.gz UGUWOMPXLDCJAF-CQSZACIVSA-N -1 3 379.894 3.774 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1CCCCN1Cc1ccccc1 ZINC001331095583 1051188607 /nfs/dbraw/zinc/18/86/07/1051188607.db2.gz URHNSFUHBXILMF-GOSISDBHSA-N -1 3 393.443 3.540 20 0 GHADHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)cc1OCc1cccnc1 ZINC001331924560 1051415084 /nfs/dbraw/zinc/41/50/84/1051415084.db2.gz KTDILEZWJJZKTH-HSZRJFAPSA-N -1 3 392.455 3.759 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)C(C)(C)C ZINC001332226797 1051487081 /nfs/dbraw/zinc/48/70/81/1051487081.db2.gz UGVGCZIFGKLLBV-GOSISDBHSA-N -1 3 385.508 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCn3nc(C)cc3C)c2)n1 ZINC001334095135 1051903307 /nfs/dbraw/zinc/90/33/07/1051903307.db2.gz VHZFJZOXGAGNFQ-UHFFFAOYSA-N -1 3 379.464 3.644 20 0 GHADHM CC(C)[C@H]1CCc2nc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)sc2C1 ZINC001311296392 1051998076 /nfs/dbraw/zinc/99/80/76/1051998076.db2.gz NEVABOIZUZYNHN-ZDUSSCGKSA-N -1 3 397.508 3.652 20 0 GHADHM CC(C)[C@H]1CCc2nc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)sc2C1 ZINC001311296392 1051998078 /nfs/dbraw/zinc/99/80/78/1051998078.db2.gz NEVABOIZUZYNHN-ZDUSSCGKSA-N -1 3 397.508 3.652 20 0 GHADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001335876804 1052195674 /nfs/dbraw/zinc/19/56/74/1052195674.db2.gz JWAKQRULPGVYSB-GFCCVEGCSA-N -1 3 398.834 3.515 20 0 GHADHM C[C@@H]1CCC(F)(F)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001336774088 1052328918 /nfs/dbraw/zinc/32/89/18/1052328918.db2.gz FSNXBGDKQBNQFM-SECBINFHSA-N -1 3 385.208 3.550 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001337339424 1052452949 /nfs/dbraw/zinc/45/29/49/1052452949.db2.gz TYHHEHKLQKKSOX-UHFFFAOYSA-N -1 3 379.382 3.633 20 0 GHADHM COC(=O)c1nc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)sc1C1CC1 ZINC001337538613 1052498714 /nfs/dbraw/zinc/49/87/14/1052498714.db2.gz VBXCDOGMZVFVQC-UHFFFAOYSA-N -1 3 383.376 3.862 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccc(F)cc1C ZINC001342563631 1053240425 /nfs/dbraw/zinc/24/04/25/1053240425.db2.gz UUUPMTLUXZMVIM-KRWDZBQOSA-N -1 3 382.443 3.558 20 0 GHADHM O=C(O[C@H]1CCO[C@H](C2CCOCC2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001343264098 1053660176 /nfs/dbraw/zinc/66/01/76/1053660176.db2.gz MQYOIOCVBNNRMQ-WFASDCNBSA-N -1 3 380.391 3.632 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC001344125629 1054266657 /nfs/dbraw/zinc/26/66/57/1054266657.db2.gz LIIIJRMIOLORLV-SSDOTTSWSA-N -1 3 385.820 3.558 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC001317860535 1054282017 /nfs/dbraw/zinc/28/20/17/1054282017.db2.gz ACMYWTOZDGDMGO-UHFFFAOYSA-N -1 3 382.460 3.897 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1csc(-c2ccc(O)cc2)n1 ZINC001319216401 1055100459 /nfs/dbraw/zinc/10/04/59/1055100459.db2.gz WEWJXGSWGLDOTR-UHFFFAOYSA-N -1 3 381.442 3.682 20 0 GHADHM COc1ccccc1-c1nnc(COC(=O)c2cc(F)cc(Cl)c2[O-])o1 ZINC001319633334 1055368384 /nfs/dbraw/zinc/36/83/84/1055368384.db2.gz UABRZJLFHNDSEX-UHFFFAOYSA-N -1 3 378.743 3.600 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H]3C=CCCC3)c2)c1 ZINC001319832402 1055496357 /nfs/dbraw/zinc/49/63/57/1055496357.db2.gz MUTXFKBQPFJBTC-HNNXBMFYSA-N -1 3 396.443 3.500 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC001319883914 1055520751 /nfs/dbraw/zinc/52/07/51/1055520751.db2.gz PQPXQFHRGXUFAP-LLVKDONJSA-N -1 3 380.275 3.876 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)c([O-])c1)N1CCc2ccccc2C1 ZINC001320675003 1055924508 /nfs/dbraw/zinc/92/45/08/1055924508.db2.gz JPWDOXSDXXDFMO-LBPRGKRZSA-N -1 3 375.266 3.540 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC001321639666 1056349140 /nfs/dbraw/zinc/34/91/40/1056349140.db2.gz KFVFCLBJBTWWGT-UHFFFAOYSA-N -1 3 388.452 3.639 20 0 GHADHM COc1ccc2c(c1)c(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c(C)n2C1CC1 ZINC001322120095 1056525220 /nfs/dbraw/zinc/52/52/20/1056525220.db2.gz FGQDEMFFYRHKKY-UHFFFAOYSA-N -1 3 379.342 3.682 20 0 GHADHM COc1ccc2c(c1)c(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c(C)n2C1CC1 ZINC001322120095 1056525236 /nfs/dbraw/zinc/52/52/36/1056525236.db2.gz FGQDEMFFYRHKKY-UHFFFAOYSA-N -1 3 379.342 3.682 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC001322818744 1056857393 /nfs/dbraw/zinc/85/73/93/1056857393.db2.gz TVQLCIUGDJVLJP-KRWDZBQOSA-N -1 3 375.472 3.760 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C)c2)c1 ZINC001323196373 1056937323 /nfs/dbraw/zinc/93/73/23/1056937323.db2.gz IFUXZWIQUIWEGU-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2cccc3ccccc32)o1 ZINC001324048857 1057061088 /nfs/dbraw/zinc/06/10/88/1057061088.db2.gz IAMNAZDRQZPQFO-LBPRGKRZSA-N -1 3 385.470 3.991 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)OCc1noc(-c3ccccc3[O-])n1)CCC2 ZINC000848850388 1057364718 /nfs/dbraw/zinc/36/47/18/1057364718.db2.gz ADPVAWAWDMWHMT-OAHLLOKOSA-N -1 3 380.400 3.614 20 0 GHADHM O=S(=O)([N-]C1CC2(CC2(F)F)C1)c1ccc(Cl)cc1Br ZINC001327055909 1057589813 /nfs/dbraw/zinc/58/98/13/1057589813.db2.gz JYRYIANOVOTSQA-UHFFFAOYSA-N -1 3 386.645 3.569 20 0 GHADHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1=O ZINC001337630656 1058194131 /nfs/dbraw/zinc/19/41/31/1058194131.db2.gz MJPHPCHIXPKPCZ-KGLIPLIRSA-N -1 3 393.447 3.570 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(OC(C)(C)C)CC1 ZINC001338007362 1058367182 /nfs/dbraw/zinc/36/71/82/1058367182.db2.gz OCPOHPGVNGLJSF-UHFFFAOYSA-N -1 3 392.931 3.743 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)c3ccccn3)cc2)cc1 ZINC001440521008 1058530310 /nfs/dbraw/zinc/53/03/10/1058530310.db2.gz SBKRVYKZKYLQCN-INIZCTEOSA-N -1 3 395.484 3.933 20 0 GHADHM CC(C)CCn1nccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001440703473 1058589729 /nfs/dbraw/zinc/58/97/29/1058589729.db2.gz HSJYXFAHKGRFJQ-UHFFFAOYSA-N -1 3 379.486 3.985 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc(C)c(Cl)c2)cc1OC ZINC001441892304 1058883564 /nfs/dbraw/zinc/88/35/64/1058883564.db2.gz OXZOFABQIQYLFO-UHFFFAOYSA-N -1 3 396.896 3.600 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC001442053772 1058907741 /nfs/dbraw/zinc/90/77/41/1058907741.db2.gz RXVCOXBNXHXWRZ-AWEZNQCLSA-N -1 3 389.293 3.719 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001442657935 1058989075 /nfs/dbraw/zinc/98/90/75/1058989075.db2.gz IZEOJXYWTBNLNE-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001442657935 1058989077 /nfs/dbraw/zinc/98/90/77/1058989077.db2.gz IZEOJXYWTBNLNE-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM NC(=O)C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCCC1 ZINC001445260870 1059488174 /nfs/dbraw/zinc/48/81/74/1059488174.db2.gz ITYMWVMIHAVMHT-OAQYLSRUSA-N -1 3 394.515 3.732 20 0 GHADHM COc1ccc(Br)cc1C1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC001446238571 1059732185 /nfs/dbraw/zinc/73/21/85/1059732185.db2.gz JMXNIKIAMMXLCY-UHFFFAOYSA-N -1 3 380.213 3.973 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2COCc2ccccc2)[n-]n1 ZINC001447174887 1059934296 /nfs/dbraw/zinc/93/42/96/1059934296.db2.gz MEFZGYLRHKPKOO-UHFFFAOYSA-N -1 3 379.416 3.556 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2COCc2ccccc2)n[n-]1 ZINC001447174887 1059934298 /nfs/dbraw/zinc/93/42/98/1059934298.db2.gz MEFZGYLRHKPKOO-UHFFFAOYSA-N -1 3 379.416 3.556 20 0 GHADHM CCc1cccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1[O-] ZINC001447434804 1059964630 /nfs/dbraw/zinc/96/46/30/1059964630.db2.gz LFCQOCVNQYWAHE-YLJYHZDGSA-N -1 3 381.472 3.736 20 0 GHADHM O=C(NC[C@H](O)CCc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001447631523 1059992057 /nfs/dbraw/zinc/99/20/57/1059992057.db2.gz NQZUHHGVARFFKX-OAQYLSRUSA-N -1 3 375.468 3.707 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001447767401 1060026652 /nfs/dbraw/zinc/02/66/52/1060026652.db2.gz ZARKZTHGVGHGKT-JTQLQIEISA-N -1 3 392.249 3.857 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001448296267 1060149649 /nfs/dbraw/zinc/14/96/49/1060149649.db2.gz NZPRDEVYEZKSHA-HXUWFJFHSA-N -1 3 390.505 3.984 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCCCCCCC1 ZINC001449693039 1060443859 /nfs/dbraw/zinc/44/38/59/1060443859.db2.gz GNAATWCKMGQUBK-UHFFFAOYSA-N -1 3 395.459 3.789 20 0 GHADHM O=C(NCc1cc(Br)no1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001449797940 1060466201 /nfs/dbraw/zinc/46/62/01/1060466201.db2.gz OQURNKDUAWXQHI-UHFFFAOYSA-N -1 3 389.205 3.865 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001450053137 1060511335 /nfs/dbraw/zinc/51/13/35/1060511335.db2.gz XVGIXILAXMSABK-UHFFFAOYSA-N -1 3 382.326 3.986 20 0 GHADHM O=C(N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001452452099 1060940996 /nfs/dbraw/zinc/94/09/96/1060940996.db2.gz XSBQTYUIZIRTMT-RTWAWAEBSA-N -1 3 397.471 3.625 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(NC(C)C)c1 ZINC001453347023 1061113350 /nfs/dbraw/zinc/11/33/50/1061113350.db2.gz NFYILFJYPZKILO-UHFFFAOYSA-N -1 3 384.432 3.844 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001453716602 1061187518 /nfs/dbraw/zinc/18/75/18/1061187518.db2.gz AGMDRBYPRRJLMM-HZPDHXFCSA-N -1 3 380.460 3.593 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCC(F)CC1 ZINC001454123232 1061614528 /nfs/dbraw/zinc/61/45/28/1061614528.db2.gz KDQUBHYNNDTYDO-XSRFYTQQSA-N -1 3 395.272 3.937 20 0 GHADHM O=C(NCc1ccc(Nc2ccncc2)cc1)c1cccc(Br)c1[O-] ZINC001454213104 1061655406 /nfs/dbraw/zinc/65/54/06/1061655406.db2.gz XFGSNSOHJIVMSR-UHFFFAOYSA-N -1 3 398.260 3.645 20 0 GHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454410519 1061768930 /nfs/dbraw/zinc/76/89/30/1061768930.db2.gz IBZGXCNTIDVMTG-WDEREUQCSA-N -1 3 378.274 3.784 20 0 GHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454410519 1061768950 /nfs/dbraw/zinc/76/89/50/1061768950.db2.gz IBZGXCNTIDVMTG-WDEREUQCSA-N -1 3 378.274 3.784 20 0 GHADHM O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cc2sccc2c([O-])c1 ZINC001455010938 1061977415 /nfs/dbraw/zinc/97/74/15/1061977415.db2.gz ZWOILTWEZPKVDE-WKILWMFISA-N -1 3 381.453 3.859 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC001455018443 1061979610 /nfs/dbraw/zinc/97/96/10/1061979610.db2.gz CQEXXMVBCHSKOI-SUMWQHHRSA-N -1 3 394.899 3.907 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1F ZINC001545775407 1061993906 /nfs/dbraw/zinc/99/39/06/1061993906.db2.gz XGXLITIPSPAPLE-FQEVSTJZSA-N -1 3 395.386 3.968 20 0 GHADHM O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC001545799467 1062005416 /nfs/dbraw/zinc/00/54/16/1062005416.db2.gz HSXIRQYTOFNSTI-UHFFFAOYSA-N -1 3 391.423 3.672 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCc1ccccc1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001545857801 1062045401 /nfs/dbraw/zinc/04/54/01/1062045401.db2.gz DJSPGDQVWMPEPN-LBPRGKRZSA-N -1 3 390.402 3.599 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545858787 1062047104 /nfs/dbraw/zinc/04/71/04/1062047104.db2.gz XJEDUNGJDPQDHN-FRRDWIJNSA-N -1 3 382.423 3.706 20 0 GHADHM C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383735 1062650625 /nfs/dbraw/zinc/65/06/25/1062650625.db2.gz LVXRPWMYXWWDLT-SECBINFHSA-N -1 3 399.373 3.662 20 0 GHADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385824 1062652558 /nfs/dbraw/zinc/65/25/58/1062652558.db2.gz QJHYACOMUPIDLT-RKDXNWHRSA-N -1 3 388.777 3.563 20 0 GHADHM CCCO[C@H](COC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(F)cc1C ZINC001347937340 1062792207 /nfs/dbraw/zinc/79/22/07/1062792207.db2.gz PGBPXOSDOZNMOS-GOSISDBHSA-N -1 3 376.428 3.500 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc(F)c1 ZINC001456803660 1062869304 /nfs/dbraw/zinc/86/93/04/1062869304.db2.gz VMZAQCJLUUGZOW-UHFFFAOYSA-N -1 3 381.407 3.822 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccc(F)c1 ZINC001456803660 1062869321 /nfs/dbraw/zinc/86/93/21/1062869321.db2.gz VMZAQCJLUUGZOW-UHFFFAOYSA-N -1 3 381.407 3.822 20 0 GHADHM O=C(c1ccccc1)N1CCC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC001348070632 1062904510 /nfs/dbraw/zinc/90/45/10/1062904510.db2.gz GSUFZSFQSNMQIF-MRXNPFEDSA-N -1 3 389.293 3.549 20 0 GHADHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2c(F)cc(Br)cc2F)o1 ZINC001456944772 1062926748 /nfs/dbraw/zinc/92/67/48/1062926748.db2.gz JSVQJDMLIPXFJD-HWKANZROSA-N -1 3 386.148 3.759 20 0 GHADHM O=C(CCc1cncc2ccccc21)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456951301 1062928109 /nfs/dbraw/zinc/92/81/09/1062928109.db2.gz YUQMZQOUAIKLJU-RZDIXWSQSA-N -1 3 376.460 3.506 20 0 GHADHM COc1cc(C)c(Br)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001435823863 1062948577 /nfs/dbraw/zinc/94/85/77/1062948577.db2.gz LUMRGRLJFWGKLM-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC2(CC1)OCCO2 ZINC001457079475 1062969793 /nfs/dbraw/zinc/96/97/93/1062969793.db2.gz JKZRDQYLYCTELK-UHFFFAOYSA-N -1 3 381.472 3.789 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)nc(CC)c2)c(C(=O)OCC)[n-]1 ZINC001435888090 1062982616 /nfs/dbraw/zinc/98/26/16/1062982616.db2.gz XDBPKCFVNJDRKD-UHFFFAOYSA-N -1 3 378.860 3.792 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(F)c3ncccc3c2)c(C(=O)OCC)[n-]1 ZINC001435888249 1062983112 /nfs/dbraw/zinc/98/31/12/1062983112.db2.gz XYVBSRNTQCVGBA-UHFFFAOYSA-N -1 3 384.411 3.869 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435896081 1062986511 /nfs/dbraw/zinc/98/65/11/1062986511.db2.gz FUAVYPRAHVSTHS-UHFFFAOYSA-N -1 3 375.331 3.811 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3COc4cc(F)ccc4C3)n[n-]2)cc1 ZINC001457162320 1062994366 /nfs/dbraw/zinc/99/43/66/1062994366.db2.gz DCCAZYNEYOYRDU-HNNXBMFYSA-N -1 3 398.463 3.734 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(Br)c2)c(OC)c1 ZINC001457189988 1063005681 /nfs/dbraw/zinc/00/56/81/1063005681.db2.gz ZXPHVHOLNJBEHF-SNVBAGLBSA-N -1 3 380.238 3.663 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC001435933657 1063009102 /nfs/dbraw/zinc/00/91/02/1063009102.db2.gz PGBZADMTCLIRNM-WAYWQWQTSA-N -1 3 384.432 3.753 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1c([O-])cnc2ccc(Cl)cc21)c1cccc(F)c1 ZINC001457463541 1063197921 /nfs/dbraw/zinc/19/79/21/1063197921.db2.gz KZWBSGHBBJKQHL-KRWDZBQOSA-N -1 3 387.842 3.766 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC001436231424 1063313350 /nfs/dbraw/zinc/31/33/50/1063313350.db2.gz RXMMXIDBYCOZRT-UHFFFAOYSA-N -1 3 390.852 3.519 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC001436231424 1063313369 /nfs/dbraw/zinc/31/33/69/1063313369.db2.gz RXMMXIDBYCOZRT-UHFFFAOYSA-N -1 3 390.852 3.519 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1C1CC1 ZINC001457734609 1063334213 /nfs/dbraw/zinc/33/42/13/1063334213.db2.gz MFLCTIJNNZTDJD-LBPRGKRZSA-N -1 3 380.448 3.834 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC001457753680 1063347042 /nfs/dbraw/zinc/34/70/42/1063347042.db2.gz JFXTXVWNJPMOFV-OAHLLOKOSA-N -1 3 380.778 3.640 20 0 GHADHM CC(C)(C)OC(=O)C1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC=CC1 ZINC001457779083 1063362203 /nfs/dbraw/zinc/36/22/03/1063362203.db2.gz LOZBNSLCMSNYNA-UHFFFAOYSA-N -1 3 394.431 3.835 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3csc(-c4ccccc4C)n3)c2c1=O ZINC001457890174 1063420670 /nfs/dbraw/zinc/42/06/70/1063420670.db2.gz UJSDUTIFEXRASI-UHFFFAOYSA-N -1 3 393.472 3.737 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC2(CC2)C1)C(F)(F)F ZINC001436917264 1063706341 /nfs/dbraw/zinc/70/63/41/1063706341.db2.gz ZZUQSAVIOCAWFF-LSDHHAIUSA-N -1 3 380.410 3.593 20 0 GHADHM CCCc1ccc(CCCC(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC001349462343 1063736729 /nfs/dbraw/zinc/73/67/29/1063736729.db2.gz XGQIQMLSKAYFJX-UHFFFAOYSA-N -1 3 396.535 3.551 20 0 GHADHM CCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1F ZINC001437705536 1063920296 /nfs/dbraw/zinc/92/02/96/1063920296.db2.gz SILULIVWNOGMCU-UHFFFAOYSA-N -1 3 396.459 3.708 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](CC)OC2CCCCC2)c(C(=O)OCC)[n-]1 ZINC001458957912 1063968166 /nfs/dbraw/zinc/96/81/66/1063968166.db2.gz XDPMZUQCUCCUIK-HNNXBMFYSA-N -1 3 379.501 3.995 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1F ZINC001438067988 1063975609 /nfs/dbraw/zinc/97/56/09/1063975609.db2.gz MGDAQNWCICGNFX-HIFRSBDPSA-N -1 3 385.501 3.884 20 0 GHADHM CCCC[C@H](CC)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001350297547 1064050347 /nfs/dbraw/zinc/05/03/47/1064050347.db2.gz BGCAEQHPTWTCBW-AWEZNQCLSA-N -1 3 386.533 3.849 20 0 GHADHM CCOC(=O)C1(N(C)Cc2cc(=O)oc3cc([O-])c(CC)cc23)CCCCC1 ZINC001459697957 1064175570 /nfs/dbraw/zinc/17/55/70/1064175570.db2.gz ZJYYCBBGVLKDNS-UHFFFAOYSA-N -1 3 387.476 3.759 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001463419111 1064332394 /nfs/dbraw/zinc/33/23/94/1064332394.db2.gz BECQYFGHWGDCAJ-DIFFPNOSSA-N -1 3 389.851 3.981 20 0 GHADHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001463528536 1064437118 /nfs/dbraw/zinc/43/71/18/1064437118.db2.gz OXLIXTNLJXACID-OLZOCXBDSA-N -1 3 386.970 3.953 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC001463606699 1064495150 /nfs/dbraw/zinc/49/51/50/1064495150.db2.gz FBMFVUFCAZGLOA-NWDGAFQWSA-N -1 3 390.299 3.793 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1c(F)cncc1F ZINC001463675207 1064544327 /nfs/dbraw/zinc/54/43/27/1064544327.db2.gz AICUVEAFZWKKKE-SSDOTTSWSA-N -1 3 389.836 3.662 20 0 GHADHM CN(CCOc1ccccc1Cl)C(=O)c1cc([O-])cc(Br)c1 ZINC001463740595 1064581278 /nfs/dbraw/zinc/58/12/78/1064581278.db2.gz CIIWKWLQGRIIDW-UHFFFAOYSA-N -1 3 384.657 3.959 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)c(F)c1 ZINC001463775456 1064606254 /nfs/dbraw/zinc/60/62/54/1064606254.db2.gz LXHMEPKPJCEQIU-CYBMUJFWSA-N -1 3 391.464 3.919 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC001463808794 1064636265 /nfs/dbraw/zinc/63/62/65/1064636265.db2.gz QOOPKKVZTNWXRP-UHFFFAOYSA-N -1 3 396.278 3.889 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Br)c(C)c2)c1 ZINC001463838542 1064661704 /nfs/dbraw/zinc/66/17/04/1064661704.db2.gz DDDBPKOWAHDWKO-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c2ccco2)cc1 ZINC001463895666 1064700499 /nfs/dbraw/zinc/70/04/99/1064700499.db2.gz WEHQVLGZFQCZNI-MRXNPFEDSA-N -1 3 396.827 3.544 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)sc1Cl ZINC001463961789 1064741613 /nfs/dbraw/zinc/74/16/13/1064741613.db2.gz RDGUKVGQYWTBBZ-GHMZBOCLSA-N -1 3 396.962 3.680 20 0 GHADHM O=S(=O)(CC[C@@H]1CCc2ccccc21)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC001463964186 1064742652 /nfs/dbraw/zinc/74/26/52/1064742652.db2.gz JQMHUSOWODKCDG-PZJWPPBQSA-N -1 3 396.512 3.998 20 0 GHADHM CC(C)CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC001464019435 1064772896 /nfs/dbraw/zinc/77/28/96/1064772896.db2.gz VOKPDDAZKRMRAA-UHFFFAOYSA-N -1 3 377.282 3.941 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c([O-])c1 ZINC001464216714 1064911666 /nfs/dbraw/zinc/91/16/66/1064911666.db2.gz NUKDSFPNKMLJKS-FQEVSTJZSA-N -1 3 386.467 3.863 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2nc3ccccc3cc2C)cc1OC ZINC001464333138 1064959262 /nfs/dbraw/zinc/95/92/62/1064959262.db2.gz BCRURKPFHCYOMT-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001352308803 1064972990 /nfs/dbraw/zinc/97/29/90/1064972990.db2.gz NPWKKSLZRCVKBK-UHFFFAOYSA-N -1 3 396.882 3.716 20 0 GHADHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464609061 1065109316 /nfs/dbraw/zinc/10/93/16/1065109316.db2.gz GMKCWBTWHPYXQJ-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464609061 1065109324 /nfs/dbraw/zinc/10/93/24/1065109324.db2.gz GMKCWBTWHPYXQJ-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1cc(F)c(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c(F)c1 ZINC001464629671 1065121374 /nfs/dbraw/zinc/12/13/74/1065121374.db2.gz CJIGNPCPXSEGSA-UHFFFAOYSA-N -1 3 385.819 3.534 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC3(CCC3)O2)sc1Br ZINC001464696002 1065160913 /nfs/dbraw/zinc/16/09/13/1065160913.db2.gz MEHHIMGPWPIEEI-NSHDSACASA-N -1 3 394.356 3.589 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001464718042 1065173988 /nfs/dbraw/zinc/17/39/88/1065173988.db2.gz DTSCSZXTDQZORU-UHFFFAOYSA-N -1 3 386.467 3.789 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC001464814631 1065226535 /nfs/dbraw/zinc/22/65/35/1065226535.db2.gz DTYMUUKHGAYGEF-KGLIPLIRSA-N -1 3 398.297 3.745 20 0 GHADHM COc1cc(F)cc2sc([N-]C(=O)c3noc(-c4ccc(F)cc4)n3)nc21 ZINC001464904970 1065266454 /nfs/dbraw/zinc/26/64/54/1065266454.db2.gz ROQJIBIFBANUNY-UHFFFAOYSA-N -1 3 388.355 3.885 20 0 GHADHM O=C([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1c(F)ccnc1F ZINC000847432299 1065278798 /nfs/dbraw/zinc/27/87/98/1065278798.db2.gz HUYWQXSOIKOZML-UHFFFAOYSA-N -1 3 387.365 3.736 20 0 GHADHM O=C(NCCCc1c[nH]c2ccccc12)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464953348 1065287896 /nfs/dbraw/zinc/28/78/96/1065287896.db2.gz KYPZAZHLYIHPIB-UHFFFAOYSA-N -1 3 381.382 3.650 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3sccc3-c3ccccc3)C2)n1 ZINC001352804719 1065325249 /nfs/dbraw/zinc/32/52/49/1065325249.db2.gz ALQJUINQKYGIKF-MRXNPFEDSA-N -1 3 394.500 3.618 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1c(C)cccc1[O-])Cc1cccc2ccccc21 ZINC001465038179 1065346038 /nfs/dbraw/zinc/34/60/38/1065346038.db2.gz OUUWUFPKBPKWEJ-GOSISDBHSA-N -1 3 377.440 3.616 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC001465237276 1065486925 /nfs/dbraw/zinc/48/69/25/1065486925.db2.gz PCJSGHQQHYYVKV-UHFFFAOYSA-N -1 3 375.837 3.748 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C)cc1OCc1ccccc1 ZINC001465306472 1065535689 /nfs/dbraw/zinc/53/56/89/1065535689.db2.gz YRDXXIYVYUEQGV-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC001465306472 1065535704 /nfs/dbraw/zinc/53/57/04/1065535704.db2.gz YRDXXIYVYUEQGV-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)cs1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001465376670 1065575406 /nfs/dbraw/zinc/57/54/06/1065575406.db2.gz PFBDYDBXDCKYPA-UHFFFAOYSA-N -1 3 387.770 3.587 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)[C@H](c2ccccc2)CO1 ZINC001465448767 1065623981 /nfs/dbraw/zinc/62/39/81/1065623981.db2.gz ZAXIADCMXBEXCE-UGSOOPFHSA-N -1 3 382.847 3.784 20 0 GHADHM O=C(NC1(C(F)(F)F)CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001465467109 1065640400 /nfs/dbraw/zinc/64/04/00/1065640400.db2.gz FEEJNYYYJOBNBY-UHFFFAOYSA-N -1 3 389.171 3.505 20 0 GHADHM COC(=O)COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1Cl ZINC001466196057 1066028663 /nfs/dbraw/zinc/02/86/63/1066028663.db2.gz PWBRTTSFFMSLNU-UHFFFAOYSA-N -1 3 389.835 3.729 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(Br)c2OC)c([O-])c1 ZINC001466544733 1066185923 /nfs/dbraw/zinc/18/59/23/1066185923.db2.gz RGWJJGIPOSNLBM-UHFFFAOYSA-N -1 3 394.221 3.592 20 0 GHADHM [O-]c1c(Br)ccc(Cl)c1NC(=S)NCCN1CCCCC1 ZINC001200434401 1066211339 /nfs/dbraw/zinc/21/13/39/1066211339.db2.gz TYYMEOOCELVFNT-UHFFFAOYSA-N -1 3 392.750 3.580 20 0 GHADHM O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(O)cc1[O-] ZINC001353872497 1066328128 /nfs/dbraw/zinc/32/81/28/1066328128.db2.gz HONHTIAPELYJSS-UHFFFAOYSA-N -1 3 392.786 3.687 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1c([O-])cccc1OC ZINC001466919652 1066388434 /nfs/dbraw/zinc/38/84/34/1066388434.db2.gz OOHDVOPMRXJKBE-JTQLQIEISA-N -1 3 380.238 3.663 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)ccc3N(C)C(C)C)nc21 ZINC001357295876 1067035298 /nfs/dbraw/zinc/03/52/98/1067035298.db2.gz OQXBBZBSZFLVGD-UHFFFAOYSA-N -1 3 380.448 3.755 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCOc2ccc(Br)cc2C1 ZINC001467460737 1067308708 /nfs/dbraw/zinc/30/87/08/1067308708.db2.gz AOUNSAARZKUSMA-UHFFFAOYSA-N -1 3 382.641 3.843 20 0 GHADHM CCn1c(CNC(=O)c2c(C)cccc2[O-])nc2cc(Br)ccc21 ZINC001467799677 1067473793 /nfs/dbraw/zinc/47/37/93/1067473793.db2.gz CSPNCWVKKOSUKC-UHFFFAOYSA-N -1 3 388.265 3.763 20 0 GHADHM CN(C)Cc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cn1 ZINC001467843394 1067492000 /nfs/dbraw/zinc/49/20/00/1067492000.db2.gz ABEAPGXFHHKKFL-UHFFFAOYSA-N -1 3 384.661 3.517 20 0 GHADHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001468344504 1067694866 /nfs/dbraw/zinc/69/48/66/1067694866.db2.gz ITCXHWRDCXGNED-AWEZNQCLSA-N -1 3 381.259 3.518 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)c1[O-] ZINC001468601113 1067786571 /nfs/dbraw/zinc/78/65/71/1067786571.db2.gz JSCOJTOGQHSOFF-INIZCTEOSA-N -1 3 380.488 3.877 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000849453935 1067849730 /nfs/dbraw/zinc/84/97/30/1067849730.db2.gz DKBYPMDSUZHLQF-UONOGXRCSA-N -1 3 391.798 3.816 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001468892732 1067921130 /nfs/dbraw/zinc/92/11/30/1067921130.db2.gz OENIEFKLFQMBFL-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001468892732 1067921134 /nfs/dbraw/zinc/92/11/34/1067921134.db2.gz OENIEFKLFQMBFL-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC001469230304 1068043578 /nfs/dbraw/zinc/04/35/78/1068043578.db2.gz LEVUCCBBIVQBRQ-INIZCTEOSA-N -1 3 381.488 3.974 20 0 GHADHM Cc1cc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)sc1-c1ccccc1 ZINC001469293177 1068084031 /nfs/dbraw/zinc/08/40/31/1068084031.db2.gz ADPOTCJYTUKNRV-UHFFFAOYSA-N -1 3 378.457 3.859 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001469719010 1068335561 /nfs/dbraw/zinc/33/55/61/1068335561.db2.gz FVXMBYKWGGKLRW-UHFFFAOYSA-N -1 3 389.521 3.552 20 0 GHADHM COc1ccc(C(=O)N[C@H]2CSCc3ccc(Br)cc32)c([O-])c1 ZINC001469901219 1068460362 /nfs/dbraw/zinc/46/03/62/1068460362.db2.gz WRFGYFRCUIMLQX-HNNXBMFYSA-N -1 3 394.290 3.881 20 0 GHADHM O=C(Nc1ccc([O-])cc1Cl)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001470054995 1068545938 /nfs/dbraw/zinc/54/59/38/1068545938.db2.gz PKTIZLOQAQCKQI-UHFFFAOYSA-N -1 3 389.766 3.969 20 0 GHADHM Cc1nc(C)c(CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)s1 ZINC001460653329 1069059920 /nfs/dbraw/zinc/05/99/20/1069059920.db2.gz SAINTTDGEYLIIS-ZDUSSCGKSA-N -1 3 383.439 3.932 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C1CCCC1 ZINC001470478608 1072580133 /nfs/dbraw/zinc/58/01/33/1072580133.db2.gz GEMUUXREOLXKDM-AEGPPILISA-N -1 3 377.451 3.586 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1s[n-]c(=O)c1Cl ZINC001471399816 1073053284 /nfs/dbraw/zinc/05/32/84/1073053284.db2.gz NLUYVYGKDXDAPG-CQSZACIVSA-N -1 3 379.913 3.629 20 0 GHADHM C[C@H]1CC[C@@](C)(CNC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)C1(C)C ZINC001478943993 1079034680 /nfs/dbraw/zinc/03/46/80/1079034680.db2.gz LVEBBBMWKJSODQ-COJSNBRMSA-N -1 3 391.478 3.547 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)c1 ZINC001471685159 1073178769 /nfs/dbraw/zinc/17/87/69/1073178769.db2.gz AIJJOLFXFVCDHY-UHFFFAOYSA-N -1 3 376.384 3.977 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1 ZINC001472091164 1073330456 /nfs/dbraw/zinc/33/04/56/1073330456.db2.gz QDMAEFRLEXQBGI-UHFFFAOYSA-N -1 3 385.464 3.919 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1 ZINC001472091164 1073330464 /nfs/dbraw/zinc/33/04/64/1073330464.db2.gz QDMAEFRLEXQBGI-UHFFFAOYSA-N -1 3 385.464 3.919 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCO1 ZINC001472241274 1073380199 /nfs/dbraw/zinc/38/01/99/1073380199.db2.gz NLOGIDHSYYXCPP-FUHWJXTLSA-N -1 3 385.464 3.547 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCO1 ZINC001472241274 1073380205 /nfs/dbraw/zinc/38/02/05/1073380205.db2.gz NLOGIDHSYYXCPP-FUHWJXTLSA-N -1 3 385.464 3.547 20 0 GHADHM CC1(c2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)no2)CCCC1 ZINC001472554113 1073548470 /nfs/dbraw/zinc/54/84/70/1073548470.db2.gz VAENZTQKDALOKD-UHFFFAOYSA-N -1 3 397.884 3.784 20 0 GHADHM CCc1cc2c(CN3CCN(CC(F)(F)F)CC3(C)C)cc(=O)oc2cc1[O-] ZINC001473317889 1073918066 /nfs/dbraw/zinc/91/80/66/1073918066.db2.gz IMJXVJOHAZCNHO-UHFFFAOYSA-N -1 3 398.425 3.520 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C[C@@H]1CCCC12CCOCC2)C(F)(F)F ZINC001473567609 1074019618 /nfs/dbraw/zinc/01/96/18/1074019618.db2.gz UCNYLWSABOCNJM-IRXDYDNUSA-N -1 3 396.453 3.693 20 0 GHADHM Cn1ccnc1[C@H](NCc1cccc([O-])c1Br)c1ccc(F)cc1 ZINC001473922801 1074204861 /nfs/dbraw/zinc/20/48/61/1074204861.db2.gz KGCDSNQSHMGQCE-QGZVFWFLSA-N -1 3 390.256 3.907 20 0 GHADHM [O-]c1cccc(CNCc2nnc(-c3ccccc3)s2)c1Br ZINC001474065928 1074252578 /nfs/dbraw/zinc/25/25/78/1074252578.db2.gz PHUXOLLKKHDXLB-UHFFFAOYSA-N -1 3 376.279 3.963 20 0 GHADHM CN(C)C[C@@H](NCc1ncc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001474475196 1074423605 /nfs/dbraw/zinc/42/36/05/1074423605.db2.gz WTCSHGXVTWYKNO-OAHLLOKOSA-N -1 3 384.705 3.596 20 0 GHADHM CC(C)N(Cc1cccc([O-])c1Br)C[C@H](O)COc1ccccc1 ZINC001474480451 1074425770 /nfs/dbraw/zinc/42/57/70/1074425770.db2.gz YOUFPGYJAYUGSS-INIZCTEOSA-N -1 3 394.309 3.805 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c(-c2ccccc2)s1 ZINC001474850877 1074592866 /nfs/dbraw/zinc/59/28/66/1074592866.db2.gz NEAZEEHBCIZNNE-UHFFFAOYSA-N -1 3 394.468 3.918 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)sc1Br ZINC001474870974 1074603784 /nfs/dbraw/zinc/60/37/84/1074603784.db2.gz JPBLJYQLWMCFFK-LBPRGKRZSA-N -1 3 390.299 3.924 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N2CCCC2)cc1 ZINC001474896616 1074618476 /nfs/dbraw/zinc/61/84/76/1074618476.db2.gz GAJHWGHVULEGRF-QGZVFWFLSA-N -1 3 396.915 3.903 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(C)C)s1 ZINC001474916851 1074630962 /nfs/dbraw/zinc/63/09/62/1074630962.db2.gz APSQNHPZLWEJRH-ZDUSSCGKSA-N -1 3 394.440 3.846 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)sc1Cl ZINC001474956339 1074651749 /nfs/dbraw/zinc/65/17/49/1074651749.db2.gz IGRYJEWFIMAKQJ-LLVKDONJSA-N -1 3 396.962 3.538 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)(C)C)c1 ZINC001475060633 1074716149 /nfs/dbraw/zinc/71/61/49/1074716149.db2.gz VUZLHEXSEROEHI-GOSISDBHSA-N -1 3 393.480 3.986 20 0 GHADHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)sc2c1)C(F)(F)F ZINC001475147586 1074757606 /nfs/dbraw/zinc/75/76/06/1074757606.db2.gz GXDYNNHUOLYQEJ-NSHDSACASA-N -1 3 382.429 3.647 20 0 GHADHM Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3cccc(Cl)c3F)C2)cc1C ZINC001475230878 1074796160 /nfs/dbraw/zinc/79/61/60/1074796160.db2.gz IDKLUYXZCSGNNN-CQSZACIVSA-N -1 3 396.871 3.567 20 0 GHADHM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C)cnc2Cl)cc1 ZINC001475367651 1074851424 /nfs/dbraw/zinc/85/14/24/1074851424.db2.gz FFGCEARWDGEVQM-ZDUSSCGKSA-N -1 3 382.913 3.599 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C1CCCCCC1 ZINC001475442156 1074876697 /nfs/dbraw/zinc/87/66/97/1074876697.db2.gz ZRWWNTDNCGUDHK-QGZVFWFLSA-N -1 3 387.929 3.662 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Oc2ccc(F)cc2)n1)c1ccc(F)cc1F ZINC001475464009 1074884006 /nfs/dbraw/zinc/88/40/06/1074884006.db2.gz VOAUZSNWQHMRSM-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)c1cc(C)ccc1C ZINC001475583750 1074920408 /nfs/dbraw/zinc/92/04/08/1074920408.db2.gz RZOAHMVGRASJSU-CQSZACIVSA-N -1 3 385.869 3.766 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)nc1 ZINC001475643582 1074991604 /nfs/dbraw/zinc/99/16/04/1074991604.db2.gz HFVKDYGVXLLJSK-ZETCQYMHSA-N -1 3 384.301 3.557 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC3(CCC3)Oc3ccccc32)c(F)cc1F ZINC001475667088 1074996260 /nfs/dbraw/zinc/99/62/60/1074996260.db2.gz AZKQSIJHMQKWFV-INIZCTEOSA-N -1 3 379.428 3.998 20 0 GHADHM CCOC(=O)[C@H](C[C@@H](C)CC)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001475680368 1074998828 /nfs/dbraw/zinc/99/88/28/1074998828.db2.gz GLGDYRAWKGPIIG-NHYWBVRUSA-N -1 3 396.336 3.781 20 0 GHADHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1ccccc1 ZINC001475696202 1075000989 /nfs/dbraw/zinc/00/09/89/1075000989.db2.gz HFPDLYUVELFGBW-OAQYLSRUSA-N -1 3 389.517 3.741 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC001475701135 1075003080 /nfs/dbraw/zinc/00/30/80/1075003080.db2.gz HXQWQXLGAGGGTL-SNVBAGLBSA-N -1 3 382.309 3.640 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)c(F)cc1F ZINC001475729084 1075010150 /nfs/dbraw/zinc/01/01/50/1075010150.db2.gz FFKTYFMGTHNRKV-KRWDZBQOSA-N -1 3 397.443 3.635 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC001475787041 1075021952 /nfs/dbraw/zinc/02/19/52/1075021952.db2.gz LUVFJQNNTVVQBT-MSOLQXFVSA-N -1 3 384.526 3.967 20 0 GHADHM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NCc1c(F)cccc1F ZINC001601658196 1126223420 /nfs/dbraw/zinc/22/34/20/1126223420.db2.gz HFGRBWXHRNZOCB-HNNXBMFYSA-N -1 3 375.293 3.649 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736123692 598827376 /nfs/dbraw/zinc/82/73/76/598827376.db2.gz BWCWFADAKYDFCX-GFCCVEGCSA-N -1 3 391.460 3.569 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736123692 598827377 /nfs/dbraw/zinc/82/73/77/598827377.db2.gz BWCWFADAKYDFCX-GFCCVEGCSA-N -1 3 391.460 3.569 20 0 GHADHM CCCCS[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736463824 598839912 /nfs/dbraw/zinc/83/99/12/598839912.db2.gz QZWBZVMWIGHQIB-AWEZNQCLSA-N -1 3 399.524 3.530 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036646 598884312 /nfs/dbraw/zinc/88/43/12/598884312.db2.gz FUJBHAAVNCXARP-BPOWMSRESA-N -1 3 390.852 3.606 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036646 598884313 /nfs/dbraw/zinc/88/43/13/598884313.db2.gz FUJBHAAVNCXARP-BPOWMSRESA-N -1 3 390.852 3.606 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000738252329 598903014 /nfs/dbraw/zinc/90/30/14/598903014.db2.gz ZZIPPNSYZBGGKH-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM CCOC(=O)c1sc(NC(=O)[C@H](C)CC2CCCC2)c(-c2nnn[n-]2)c1C ZINC000736605192 598903578 /nfs/dbraw/zinc/90/35/78/598903578.db2.gz FVZLHTOXCDMVKT-SNVBAGLBSA-N -1 3 391.497 3.568 20 0 GHADHM CCOC(=O)c1sc(NC(=O)[C@H](C)CC2CCCC2)c(-c2nn[n-]n2)c1C ZINC000736605192 598903580 /nfs/dbraw/zinc/90/35/80/598903580.db2.gz FVZLHTOXCDMVKT-SNVBAGLBSA-N -1 3 391.497 3.568 20 0 GHADHM CC1(C)CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000736210965 598908031 /nfs/dbraw/zinc/90/80/31/598908031.db2.gz KEDBWFZPWDXRHO-UHFFFAOYSA-N -1 3 396.520 3.927 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000737054264 598914123 /nfs/dbraw/zinc/91/41/23/598914123.db2.gz OVDKDMRIRSORGK-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000737054264 598914124 /nfs/dbraw/zinc/91/41/24/598914124.db2.gz OVDKDMRIRSORGK-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736125471 598926065 /nfs/dbraw/zinc/92/60/65/598926065.db2.gz KFHKXBRHPHKBJA-JTQLQIEISA-N -1 3 381.490 3.524 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736125471 598926066 /nfs/dbraw/zinc/92/60/66/598926066.db2.gz KFHKXBRHPHKBJA-JTQLQIEISA-N -1 3 381.490 3.524 20 0 GHADHM O=C(c1cccc(COc2ccccc2-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC000738272337 598926879 /nfs/dbraw/zinc/92/68/79/598926879.db2.gz AMEWIFRFSIKVFY-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM O=C(c1cccc(COc2ccccc2-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC000738272337 598926880 /nfs/dbraw/zinc/92/68/80/598926880.db2.gz AMEWIFRFSIKVFY-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736326763 598927811 /nfs/dbraw/zinc/92/78/11/598927811.db2.gz CRVZJRSXYSACNJ-HUUCEWRRSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736326763 598927812 /nfs/dbraw/zinc/92/78/12/598927812.db2.gz CRVZJRSXYSACNJ-HUUCEWRRSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736400645 598942132 /nfs/dbraw/zinc/94/21/32/598942132.db2.gz QGDSOGATYGVHLH-YOEHRIQHSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736400645 598942135 /nfs/dbraw/zinc/94/21/35/598942135.db2.gz QGDSOGATYGVHLH-YOEHRIQHSA-N -1 3 395.463 3.737 20 0 GHADHM O=C(Nc1nc2ccccc2n1C1CCCC1)c1sccc1-c1nnn[n-]1 ZINC000738213628 598946634 /nfs/dbraw/zinc/94/66/34/598946634.db2.gz ZWFNDXSJYTWHDT-UHFFFAOYSA-N -1 3 379.449 3.645 20 0 GHADHM O=C(Nc1nc2ccccc2n1C1CCCC1)c1sccc1-c1nn[n-]n1 ZINC000738213628 598946636 /nfs/dbraw/zinc/94/66/36/598946636.db2.gz ZWFNDXSJYTWHDT-UHFFFAOYSA-N -1 3 379.449 3.645 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736114598 598962827 /nfs/dbraw/zinc/96/28/27/598962827.db2.gz UXHRHARUDAVZNO-RYUDHWBXSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736114598 598962829 /nfs/dbraw/zinc/96/28/29/598962829.db2.gz UXHRHARUDAVZNO-RYUDHWBXSA-N -1 3 393.476 3.598 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735695543 599001435 /nfs/dbraw/zinc/00/14/35/599001435.db2.gz RPKAIYRLHNHKPH-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735695543 599001437 /nfs/dbraw/zinc/00/14/37/599001437.db2.gz RPKAIYRLHNHKPH-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCCC1 ZINC000736223511 599002898 /nfs/dbraw/zinc/00/28/98/599002898.db2.gz NSQKBFVFRYLQMD-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737087226 599009447 /nfs/dbraw/zinc/00/94/47/599009447.db2.gz FDEASEIFSBTDRU-UHFFFAOYSA-N -1 3 393.491 3.606 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737087226 599009448 /nfs/dbraw/zinc/00/94/48/599009448.db2.gz FDEASEIFSBTDRU-UHFFFAOYSA-N -1 3 393.491 3.606 20 0 GHADHM O=C(CSCCCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737930976 599010158 /nfs/dbraw/zinc/01/01/58/599010158.db2.gz FCFCCXQUGMAKCI-UHFFFAOYSA-N -1 3 387.896 3.825 20 0 GHADHM O=C(CSCCCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737930976 599010160 /nfs/dbraw/zinc/01/01/60/599010160.db2.gz FCFCCXQUGMAKCI-UHFFFAOYSA-N -1 3 387.896 3.825 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736204075 599011995 /nfs/dbraw/zinc/01/19/95/599011995.db2.gz PUKSBHVWQMSJKY-INIZCTEOSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736204075 599011996 /nfs/dbraw/zinc/01/19/96/599011996.db2.gz PUKSBHVWQMSJKY-INIZCTEOSA-N -1 3 390.491 3.940 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H](C)c1cccnc1 ZINC000736508036 599013830 /nfs/dbraw/zinc/01/38/30/599013830.db2.gz IKLOULOXVGJBGF-LLVKDONJSA-N -1 3 387.900 3.695 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H](C)c1cccnc1 ZINC000736508036 599013832 /nfs/dbraw/zinc/01/38/32/599013832.db2.gz IKLOULOXVGJBGF-LLVKDONJSA-N -1 3 387.900 3.695 20 0 GHADHM Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)c1C ZINC000737278796 599025790 /nfs/dbraw/zinc/02/57/90/599025790.db2.gz FOCPQIFEHMJRAM-UHFFFAOYSA-N -1 3 389.419 3.560 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000126214342 599033781 /nfs/dbraw/zinc/03/37/81/599033781.db2.gz XPSZEKHLQLXLGL-ZIAGYGMSSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000126214342 599033783 /nfs/dbraw/zinc/03/37/83/599033783.db2.gz XPSZEKHLQLXLGL-ZIAGYGMSSA-N -1 3 389.337 3.508 20 0 GHADHM Cc1cccc2c(CC(=O)N(CC(C)C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737407257 599035346 /nfs/dbraw/zinc/03/53/46/599035346.db2.gz BPSPLBMEOROINW-UHFFFAOYSA-N -1 3 388.475 3.888 20 0 GHADHM Cc1cccc2c(CC(=O)N(CC(C)C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737407257 599035348 /nfs/dbraw/zinc/03/53/48/599035348.db2.gz BPSPLBMEOROINW-UHFFFAOYSA-N -1 3 388.475 3.888 20 0 GHADHM Cc1nc(C)c(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)s1 ZINC000822432138 599045060 /nfs/dbraw/zinc/04/50/60/599045060.db2.gz YGBPUKFFAPVIDZ-UHFFFAOYSA-N -1 3 390.476 3.661 20 0 GHADHM Cc1nc(C)c(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)s1 ZINC000822432138 599045063 /nfs/dbraw/zinc/04/50/63/599045063.db2.gz YGBPUKFFAPVIDZ-UHFFFAOYSA-N -1 3 390.476 3.661 20 0 GHADHM CCN(Cc1ccccc1Cl)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736555707 599043992 /nfs/dbraw/zinc/04/39/92/599043992.db2.gz JQNLKJSHIOSPQL-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM CCN(Cc1ccccc1Cl)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736555707 599043995 /nfs/dbraw/zinc/04/39/95/599043995.db2.gz JQNLKJSHIOSPQL-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819940131 599051918 /nfs/dbraw/zinc/05/19/18/599051918.db2.gz PTPWETFUILYFTR-SWLSCSKDSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819940131 599051920 /nfs/dbraw/zinc/05/19/20/599051920.db2.gz PTPWETFUILYFTR-SWLSCSKDSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000819940299 599052535 /nfs/dbraw/zinc/05/25/35/599052535.db2.gz WDWOZDRZJKIXIP-JSGCOSHPSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000819940299 599052539 /nfs/dbraw/zinc/05/25/39/599052539.db2.gz WDWOZDRZJKIXIP-JSGCOSHPSA-N -1 3 390.463 3.501 20 0 GHADHM Cc1cccc(CN(C)C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737394840 599055163 /nfs/dbraw/zinc/05/51/63/599055163.db2.gz YGTPKOZDZRYXJU-UHFFFAOYSA-N -1 3 399.458 3.586 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736153283 599055315 /nfs/dbraw/zinc/05/53/15/599055315.db2.gz XNRMGHTVRQVRKS-AWEZNQCLSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000736153283 599055317 /nfs/dbraw/zinc/05/53/17/599055317.db2.gz XNRMGHTVRQVRKS-AWEZNQCLSA-N -1 3 389.415 3.759 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000736478938 599070786 /nfs/dbraw/zinc/07/07/86/599070786.db2.gz GSXQWCFRDQBWDO-DLBZAZTESA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000736478938 599070787 /nfs/dbraw/zinc/07/07/87/599070787.db2.gz GSXQWCFRDQBWDO-DLBZAZTESA-N -1 3 397.429 3.687 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503708 599071023 /nfs/dbraw/zinc/07/10/23/599071023.db2.gz ZZZDPQLPBCOSEU-ULFGMLNVSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503708 599071026 /nfs/dbraw/zinc/07/10/26/599071026.db2.gz ZZZDPQLPBCOSEU-ULFGMLNVSA-N -1 3 397.429 3.858 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000736672114 599072311 /nfs/dbraw/zinc/07/23/11/599072311.db2.gz YUBZQXSAQYWWEG-DGCLKSJQSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000736672114 599072314 /nfs/dbraw/zinc/07/23/14/599072314.db2.gz YUBZQXSAQYWWEG-DGCLKSJQSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000736670751 599072635 /nfs/dbraw/zinc/07/26/35/599072635.db2.gz QLMVQUYWUBQTGG-NEPJUHHUSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000736670751 599072638 /nfs/dbraw/zinc/07/26/38/599072638.db2.gz QLMVQUYWUBQTGG-NEPJUHHUSA-N -1 3 389.431 3.819 20 0 GHADHM CCSCc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000736668366 599084027 /nfs/dbraw/zinc/08/40/27/599084027.db2.gz YGVCYAGKRGRHIF-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM CCSCc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000736668366 599084029 /nfs/dbraw/zinc/08/40/29/599084029.db2.gz YGVCYAGKRGRHIF-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736244874 599086791 /nfs/dbraw/zinc/08/67/91/599086791.db2.gz OPHZVJOUPYXKTJ-CABCVRRESA-N -1 3 395.463 3.689 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000736360823 599102875 /nfs/dbraw/zinc/10/28/75/599102875.db2.gz AHRRYVDUWFXERA-HXUWFJFHSA-N -1 3 399.458 3.886 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000822233124 599108671 /nfs/dbraw/zinc/10/86/71/599108671.db2.gz IMAOINRLUQXMHJ-FXAWDEMLSA-N -1 3 390.491 3.639 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000822233124 599108672 /nfs/dbraw/zinc/10/86/72/599108672.db2.gz IMAOINRLUQXMHJ-FXAWDEMLSA-N -1 3 390.491 3.639 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)Nc1sccc1-c1nnn[n-]1 ZINC000823066296 599129339 /nfs/dbraw/zinc/12/93/39/599129339.db2.gz UANFFMJJSSMCSR-UHFFFAOYSA-N -1 3 386.289 3.966 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)Nc1sccc1-c1nn[n-]n1 ZINC000823066296 599129342 /nfs/dbraw/zinc/12/93/42/599129342.db2.gz UANFFMJJSSMCSR-UHFFFAOYSA-N -1 3 386.289 3.966 20 0 GHADHM CCC(C)(C)NC(=O)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820848532 599132783 /nfs/dbraw/zinc/13/27/83/599132783.db2.gz YITVWQZMMFBOEM-UHFFFAOYSA-N -1 3 398.442 3.515 20 0 GHADHM CCC(C)(C)NC(=O)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820848532 599132784 /nfs/dbraw/zinc/13/27/84/599132784.db2.gz YITVWQZMMFBOEM-UHFFFAOYSA-N -1 3 398.442 3.515 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)(C)C ZINC000736017527 599143918 /nfs/dbraw/zinc/14/39/18/599143918.db2.gz OHZJTVFXERJSRZ-CYBMUJFWSA-N -1 3 395.467 3.858 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)(C)C ZINC000736017527 599143919 /nfs/dbraw/zinc/14/39/19/599143919.db2.gz OHZJTVFXERJSRZ-CYBMUJFWSA-N -1 3 395.467 3.858 20 0 GHADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822950079 599145278 /nfs/dbraw/zinc/14/52/78/599145278.db2.gz DIDJTCNPSMZSAH-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822950079 599145279 /nfs/dbraw/zinc/14/52/79/599145279.db2.gz DIDJTCNPSMZSAH-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418699 599147670 /nfs/dbraw/zinc/14/76/70/599147670.db2.gz DUPJZSLFQDXJHF-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418699 599147673 /nfs/dbraw/zinc/14/76/73/599147673.db2.gz DUPJZSLFQDXJHF-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822950444 599154147 /nfs/dbraw/zinc/15/41/47/599154147.db2.gz OJXLRXHJPCEXAY-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM O=C(CCC1CCOCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822950444 599154149 /nfs/dbraw/zinc/15/41/49/599154149.db2.gz OJXLRXHJPCEXAY-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCCC2CCCC2)c1C ZINC000822482181 599154418 /nfs/dbraw/zinc/15/44/18/599154418.db2.gz LWUHVTDCKFLYRX-UHFFFAOYSA-N -1 3 393.495 3.968 20 0 GHADHM Cc1sc(NC(=O)CSc2nc(C)cc(C)c2-c2nnn[n-]2)c(C)c1C ZINC000737240436 599159092 /nfs/dbraw/zinc/15/90/92/599159092.db2.gz KHZUCRJEZDGUAF-UHFFFAOYSA-N -1 3 388.522 3.596 20 0 GHADHM Cc1sc(NC(=O)CSc2nc(C)cc(C)c2-c2nn[n-]n2)c(C)c1C ZINC000737240436 599159093 /nfs/dbraw/zinc/15/90/93/599159093.db2.gz KHZUCRJEZDGUAF-UHFFFAOYSA-N -1 3 388.522 3.596 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820868974 599159442 /nfs/dbraw/zinc/15/94/42/599159442.db2.gz DCVAKADFOAWDBX-KGLIPLIRSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820868974 599159445 /nfs/dbraw/zinc/15/94/45/599159445.db2.gz DCVAKADFOAWDBX-KGLIPLIRSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820870656 599160174 /nfs/dbraw/zinc/16/01/74/599160174.db2.gz WWHMGIPVVCITDI-KGLIPLIRSA-N -1 3 383.452 3.593 20 0 GHADHM Clc1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737576098 599160674 /nfs/dbraw/zinc/16/06/74/599160674.db2.gz UWAFJIZNESALCK-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737576098 599160676 /nfs/dbraw/zinc/16/06/76/599160676.db2.gz UWAFJIZNESALCK-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502113 599160704 /nfs/dbraw/zinc/16/07/04/599160704.db2.gz KCCMRJUSZNPORA-UHOFOFEASA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502113 599160705 /nfs/dbraw/zinc/16/07/05/599160705.db2.gz KCCMRJUSZNPORA-UHOFOFEASA-N -1 3 397.429 3.858 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596632 599161962 /nfs/dbraw/zinc/16/19/62/599161962.db2.gz LDOVXVJPRWLKQW-QGZVFWFLSA-N -1 3 387.553 3.775 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596632 599161965 /nfs/dbraw/zinc/16/19/65/599161965.db2.gz LDOVXVJPRWLKQW-QGZVFWFLSA-N -1 3 387.553 3.775 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233247 599162017 /nfs/dbraw/zinc/16/20/17/599162017.db2.gz LDTDPFJTTGLWGF-DMUFNVMESA-N -1 3 387.487 3.983 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233247 599162019 /nfs/dbraw/zinc/16/20/19/599162019.db2.gz LDTDPFJTTGLWGF-DMUFNVMESA-N -1 3 387.487 3.983 20 0 GHADHM CC(C)(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2ccccc2c1 ZINC000819892092 599165824 /nfs/dbraw/zinc/16/58/24/599165824.db2.gz UGLPJDWTECDFCQ-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM CC(C)(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2ccccc2c1 ZINC000819892092 599165827 /nfs/dbraw/zinc/16/58/27/599165827.db2.gz UGLPJDWTECDFCQ-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737348433 599166768 /nfs/dbraw/zinc/16/67/68/599166768.db2.gz YXHMSNVVRRDYCM-JTQLQIEISA-N -1 3 375.404 3.573 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737348433 599166770 /nfs/dbraw/zinc/16/67/70/599166770.db2.gz YXHMSNVVRRDYCM-JTQLQIEISA-N -1 3 375.404 3.573 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)c1ccccc1 ZINC000735734829 599169991 /nfs/dbraw/zinc/16/99/91/599169991.db2.gz JYGRPNQOFWDUTJ-KRWDZBQOSA-N -1 3 385.468 3.786 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)c1ccccc1 ZINC000735734829 599169995 /nfs/dbraw/zinc/16/99/95/599169995.db2.gz JYGRPNQOFWDUTJ-KRWDZBQOSA-N -1 3 385.468 3.786 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208061 599181219 /nfs/dbraw/zinc/18/12/19/599181219.db2.gz JYOPSKOYHDRZTB-NEPJUHHUSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208061 599181221 /nfs/dbraw/zinc/18/12/21/599181221.db2.gz JYOPSKOYHDRZTB-NEPJUHHUSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000461104513 599182295 /nfs/dbraw/zinc/18/22/95/599182295.db2.gz XIPBLNAUUNASTL-JOCHJYFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000461104513 599182299 /nfs/dbraw/zinc/18/22/99/599182299.db2.gz XIPBLNAUUNASTL-JOCHJYFZSA-N -1 3 397.482 3.900 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821948553 599186093 /nfs/dbraw/zinc/18/60/93/599186093.db2.gz CONLISPEWMBUOI-KBPBESRZSA-N -1 3 379.489 3.548 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000821948553 599186094 /nfs/dbraw/zinc/18/60/94/599186094.db2.gz CONLISPEWMBUOI-KBPBESRZSA-N -1 3 379.489 3.548 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000735905173 599187371 /nfs/dbraw/zinc/18/73/71/599187371.db2.gz GHPSLGFOLGBKMY-OAHLLOKOSA-N -1 3 382.424 3.616 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000735905173 599187372 /nfs/dbraw/zinc/18/73/72/599187372.db2.gz GHPSLGFOLGBKMY-OAHLLOKOSA-N -1 3 382.424 3.616 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666539 599190575 /nfs/dbraw/zinc/19/05/75/599190575.db2.gz IIXIRDUBBSXSRB-FZKQIMNGSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666539 599190577 /nfs/dbraw/zinc/19/05/77/599190577.db2.gz IIXIRDUBBSXSRB-FZKQIMNGSA-N -1 3 397.479 3.708 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1CCCCC1 ZINC000738279914 599198141 /nfs/dbraw/zinc/19/81/41/599198141.db2.gz YFJZDHHLFHZWPU-UHFFFAOYSA-N -1 3 383.839 3.939 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1CCCCC1 ZINC000738279914 599198144 /nfs/dbraw/zinc/19/81/44/599198144.db2.gz YFJZDHHLFHZWPU-UHFFFAOYSA-N -1 3 383.839 3.939 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000737963228 599198449 /nfs/dbraw/zinc/19/84/49/599198449.db2.gz SRZMYKSEUUDTIH-SFHVURJKSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000737963228 599198451 /nfs/dbraw/zinc/19/84/51/599198451.db2.gz SRZMYKSEUUDTIH-SFHVURJKSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(Nc1ccccn1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738195919 599201006 /nfs/dbraw/zinc/20/10/06/599201006.db2.gz JWIFMYBUAGCVOG-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccn1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738195919 599201007 /nfs/dbraw/zinc/20/10/07/599201007.db2.gz JWIFMYBUAGCVOG-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM COCCN(C(=O)C=C(C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736990116 599205033 /nfs/dbraw/zinc/20/50/33/599205033.db2.gz ZODUCMYZORHYLQ-YPKPFQOOSA-N -1 3 397.866 3.603 20 0 GHADHM COCCN(C(=O)C=C(C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736990116 599205036 /nfs/dbraw/zinc/20/50/36/599205036.db2.gz ZODUCMYZORHYLQ-YPKPFQOOSA-N -1 3 397.866 3.603 20 0 GHADHM O=[S@](Cc1cccc(Nc2ccc(-c3nnn[n-]3)cn2)c1)C1CCCCC1 ZINC000738356478 599207444 /nfs/dbraw/zinc/20/74/44/599207444.db2.gz CWGZVKMVRCABDT-HHHXNRCGSA-N -1 3 382.493 3.587 20 0 GHADHM O=[S@](Cc1cccc(Nc2ccc(-c3nn[n-]n3)cn2)c1)C1CCCCC1 ZINC000738356478 599207446 /nfs/dbraw/zinc/20/74/46/599207446.db2.gz CWGZVKMVRCABDT-HHHXNRCGSA-N -1 3 382.493 3.587 20 0 GHADHM C[C@H](COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736038747 599215524 /nfs/dbraw/zinc/21/55/24/599215524.db2.gz WTSRRWXXYQNGEF-MRXNPFEDSA-N -1 3 380.448 3.763 20 0 GHADHM C[C@H](COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736038747 599215525 /nfs/dbraw/zinc/21/55/25/599215525.db2.gz WTSRRWXXYQNGEF-MRXNPFEDSA-N -1 3 380.448 3.763 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1C ZINC000822227647 599219334 /nfs/dbraw/zinc/21/93/34/599219334.db2.gz QJBUPRVMTKLRBN-UHFFFAOYSA-N -1 3 392.394 3.697 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1C ZINC000822227647 599219336 /nfs/dbraw/zinc/21/93/36/599219336.db2.gz QJBUPRVMTKLRBN-UHFFFAOYSA-N -1 3 392.394 3.697 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821027269 599220385 /nfs/dbraw/zinc/22/03/85/599220385.db2.gz NQVARCZDKQWJCJ-NRFANRHFSA-N -1 3 385.512 3.845 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821027269 599220387 /nfs/dbraw/zinc/22/03/87/599220387.db2.gz NQVARCZDKQWJCJ-NRFANRHFSA-N -1 3 385.512 3.845 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000822978392 599221848 /nfs/dbraw/zinc/22/18/48/599221848.db2.gz JGSHYABFLMOYHO-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000822978392 599221850 /nfs/dbraw/zinc/22/18/50/599221850.db2.gz JGSHYABFLMOYHO-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H](Sc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737271517 599222312 /nfs/dbraw/zinc/22/23/12/599222312.db2.gz WHUCIYFRGYXTMD-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H](Sc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737271517 599222314 /nfs/dbraw/zinc/22/23/14/599222314.db2.gz WHUCIYFRGYXTMD-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Fc1ccc(-n2ccc(CSCCOc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000822761510 599224250 /nfs/dbraw/zinc/22/42/50/599224250.db2.gz NYVJTJRNHNFOSH-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM Fc1ccc(-n2ccc(CSCCOc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000822761510 599224253 /nfs/dbraw/zinc/22/42/53/599224253.db2.gz NYVJTJRNHNFOSH-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000737263138 599225268 /nfs/dbraw/zinc/22/52/68/599225268.db2.gz LJUAKXMWKPYZNN-UHFFFAOYSA-N -1 3 392.369 3.768 20 0 GHADHM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000737263138 599225270 /nfs/dbraw/zinc/22/52/70/599225270.db2.gz LJUAKXMWKPYZNN-UHFFFAOYSA-N -1 3 392.369 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360141 607261223 /nfs/dbraw/zinc/26/12/23/607261223.db2.gz XHTAOVMIOMOVFB-UGSOOPFHSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360141 607261224 /nfs/dbraw/zinc/26/12/24/607261224.db2.gz XHTAOVMIOMOVFB-UGSOOPFHSA-N -1 3 376.464 3.650 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000737139611 599231564 /nfs/dbraw/zinc/23/15/64/599231564.db2.gz MLPXIPKNOMSCCG-CQSZACIVSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000737139611 599231566 /nfs/dbraw/zinc/23/15/66/599231566.db2.gz MLPXIPKNOMSCCG-CQSZACIVSA-N -1 3 384.871 3.610 20 0 GHADHM CN(C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CCC1 ZINC000736740539 599228265 /nfs/dbraw/zinc/22/82/65/599228265.db2.gz AZRNGSNOSRAOBT-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)s2)cc1 ZINC000821732738 607267545 /nfs/dbraw/zinc/26/75/45/607267545.db2.gz SPHJYPMKOMBYIU-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)s2)cc1 ZINC000821732738 607267546 /nfs/dbraw/zinc/26/75/46/607267546.db2.gz SPHJYPMKOMBYIU-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OCC ZINC000821127072 607270375 /nfs/dbraw/zinc/27/03/75/607270375.db2.gz AKWFHOAJVQXQPD-UHFFFAOYSA-N -1 3 381.436 3.615 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OCC ZINC000821127072 607270376 /nfs/dbraw/zinc/27/03/76/607270376.db2.gz AKWFHOAJVQXQPD-UHFFFAOYSA-N -1 3 381.436 3.615 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823359510 599248788 /nfs/dbraw/zinc/24/87/88/599248788.db2.gz PAQVWXAYXORONS-CQSZACIVSA-N -1 3 380.477 3.513 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823359510 599248791 /nfs/dbraw/zinc/24/87/91/599248791.db2.gz PAQVWXAYXORONS-CQSZACIVSA-N -1 3 380.477 3.513 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742506 599249068 /nfs/dbraw/zinc/24/90/68/599249068.db2.gz NPXWQMWAUPIGQR-UHFFFAOYSA-N -1 3 395.438 3.994 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742506 599249069 /nfs/dbraw/zinc/24/90/69/599249069.db2.gz NPXWQMWAUPIGQR-UHFFFAOYSA-N -1 3 395.438 3.994 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084903 607280773 /nfs/dbraw/zinc/28/07/73/607280773.db2.gz RUVYPHOQABHTIC-RDJZCZTQSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084903 607280774 /nfs/dbraw/zinc/28/07/74/607280774.db2.gz RUVYPHOQABHTIC-RDJZCZTQSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC000737248000 599255220 /nfs/dbraw/zinc/25/52/20/599255220.db2.gz CQNYNZLYRBFJLS-GFCCVEGCSA-N -1 3 376.386 3.810 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC000737248000 599255221 /nfs/dbraw/zinc/25/52/21/599255221.db2.gz CQNYNZLYRBFJLS-GFCCVEGCSA-N -1 3 376.386 3.810 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000822084958 607283180 /nfs/dbraw/zinc/28/31/80/607283180.db2.gz UBYSLAROOAMHPG-KRWDZBQOSA-N -1 3 376.464 3.977 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822084958 607283181 /nfs/dbraw/zinc/28/31/81/607283181.db2.gz UBYSLAROOAMHPG-KRWDZBQOSA-N -1 3 376.464 3.977 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820915752 607285232 /nfs/dbraw/zinc/28/52/32/607285232.db2.gz XDXGVSJLJTXETD-KRWDZBQOSA-N -1 3 378.480 3.969 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820915752 607285233 /nfs/dbraw/zinc/28/52/33/607285233.db2.gz XDXGVSJLJTXETD-KRWDZBQOSA-N -1 3 378.480 3.969 20 0 GHADHM CCCCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077588 599257695 /nfs/dbraw/zinc/25/76/95/599257695.db2.gz MLUCASMILRSJDJ-CQSZACIVSA-N -1 3 380.452 3.928 20 0 GHADHM CCCCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077588 599257696 /nfs/dbraw/zinc/25/76/96/599257696.db2.gz MLUCASMILRSJDJ-CQSZACIVSA-N -1 3 380.452 3.928 20 0 GHADHM CCCCOc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821077950 599257824 /nfs/dbraw/zinc/25/78/24/599257824.db2.gz YEIHXSVURLVWFW-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCCCOc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821077950 599257826 /nfs/dbraw/zinc/25/78/26/599257826.db2.gz YEIHXSVURLVWFW-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822091906 607290881 /nfs/dbraw/zinc/29/08/81/607290881.db2.gz UVUSEOJLFROKRX-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822091906 607290882 /nfs/dbraw/zinc/29/08/82/607290882.db2.gz UVUSEOJLFROKRX-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061407 607294016 /nfs/dbraw/zinc/29/40/16/607294016.db2.gz NDWSBLXMLOPIHX-HXUWFJFHSA-N -1 3 385.427 3.934 20 0 GHADHM Cc1c(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061407 607294017 /nfs/dbraw/zinc/29/40/17/607294017.db2.gz NDWSBLXMLOPIHX-HXUWFJFHSA-N -1 3 385.427 3.934 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913641 599260103 /nfs/dbraw/zinc/26/01/03/599260103.db2.gz IJSQIASJXWYOIG-KXBFYZLASA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913641 599260105 /nfs/dbraw/zinc/26/01/05/599260105.db2.gz IJSQIASJXWYOIG-KXBFYZLASA-N -1 3 378.480 3.590 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccn(C2CCCC2)n1 ZINC000822718839 607307634 /nfs/dbraw/zinc/30/76/34/607307634.db2.gz RQWGDBZYKAZYAR-UHFFFAOYSA-N -1 3 377.374 3.809 20 0 GHADHM Fc1ccc([C@@H]2CCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000822766615 607307748 /nfs/dbraw/zinc/30/77/48/607307748.db2.gz LCBJNTAPKUNHOM-HNNXBMFYSA-N -1 3 376.798 3.925 20 0 GHADHM Fc1ccc([C@@H]2CCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822766615 607307749 /nfs/dbraw/zinc/30/77/49/607307749.db2.gz LCBJNTAPKUNHOM-HNNXBMFYSA-N -1 3 376.798 3.925 20 0 GHADHM COc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1OCc1cccnc1 ZINC000821835527 607309203 /nfs/dbraw/zinc/30/92/03/607309203.db2.gz MIYOOVYTDOBBNG-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1OCc1cccnc1 ZINC000821835527 607309204 /nfs/dbraw/zinc/30/92/04/607309204.db2.gz MIYOOVYTDOBBNG-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000821407050 599264544 /nfs/dbraw/zinc/26/45/44/599264544.db2.gz NYBAHFHRXNRJPV-KRWDZBQOSA-N -1 3 394.479 3.750 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000821407050 599264546 /nfs/dbraw/zinc/26/45/46/599264546.db2.gz NYBAHFHRXNRJPV-KRWDZBQOSA-N -1 3 394.479 3.750 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820875421 599264596 /nfs/dbraw/zinc/26/45/96/599264596.db2.gz ADZDPAGBXYCDIV-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820875421 599264599 /nfs/dbraw/zinc/26/45/99/599264599.db2.gz ADZDPAGBXYCDIV-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821943064 599265611 /nfs/dbraw/zinc/26/56/11/599265611.db2.gz SPUCXJDHEIFFNU-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821943064 599265612 /nfs/dbraw/zinc/26/56/12/599265612.db2.gz SPUCXJDHEIFFNU-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(NC2CCCC2)c1 ZINC000737947604 599276704 /nfs/dbraw/zinc/27/67/04/599276704.db2.gz MNRJFBQDWFVOES-UHFFFAOYSA-N -1 3 394.504 3.952 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(NC2CCCC2)c1 ZINC000737947604 599276705 /nfs/dbraw/zinc/27/67/05/599276705.db2.gz MNRJFBQDWFVOES-UHFFFAOYSA-N -1 3 394.504 3.952 20 0 GHADHM Cc1c2c(sc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CCCC2 ZINC000737220378 599279226 /nfs/dbraw/zinc/27/92/26/599279226.db2.gz VWYIEFSPAKPYJJ-GFCCVEGCSA-N -1 3 383.477 3.521 20 0 GHADHM Cc1c2c(sc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CCCC2 ZINC000737220378 599279229 /nfs/dbraw/zinc/27/92/29/599279229.db2.gz VWYIEFSPAKPYJJ-GFCCVEGCSA-N -1 3 383.477 3.521 20 0 GHADHM Cc1cc(C)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000822194030 607320543 /nfs/dbraw/zinc/32/05/43/607320543.db2.gz GBPWMCXRRHGIBO-FPLPWBNLSA-N -1 3 398.264 3.898 20 0 GHADHM Cc1cc(C)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000822194030 607320544 /nfs/dbraw/zinc/32/05/44/607320544.db2.gz GBPWMCXRRHGIBO-FPLPWBNLSA-N -1 3 398.264 3.898 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000822248609 599282502 /nfs/dbraw/zinc/28/25/02/599282502.db2.gz HEKODGNVONAHMN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000822248609 599282504 /nfs/dbraw/zinc/28/25/04/599282504.db2.gz HEKODGNVONAHMN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820379588 599285653 /nfs/dbraw/zinc/28/56/53/599285653.db2.gz DRRBTPIXBWTPRJ-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820379588 599285655 /nfs/dbraw/zinc/28/56/55/599285655.db2.gz DRRBTPIXBWTPRJ-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820696742 599288145 /nfs/dbraw/zinc/28/81/45/599288145.db2.gz BSRAAGOFHNNZLP-QWRGUYRKSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820696742 599288148 /nfs/dbraw/zinc/28/81/48/599288148.db2.gz BSRAAGOFHNNZLP-QWRGUYRKSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@H](Sc1nnc(NCC(F)(F)F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194006 599289567 /nfs/dbraw/zinc/28/95/67/599289567.db2.gz VYCMDYIFHKSOAG-ZETCQYMHSA-N -1 3 387.416 3.546 20 0 GHADHM Cc1c(NC(=O)COC(c2ccccc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822065921 607321204 /nfs/dbraw/zinc/32/12/04/607321204.db2.gz BSVRZBQITYHATB-UHFFFAOYSA-N -1 3 399.454 3.920 20 0 GHADHM Cc1c(NC(=O)COC(c2ccccc2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822065921 607321205 /nfs/dbraw/zinc/32/12/05/607321205.db2.gz BSVRZBQITYHATB-UHFFFAOYSA-N -1 3 399.454 3.920 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000822477197 607328960 /nfs/dbraw/zinc/32/89/60/607328960.db2.gz JDTHSTJBILZAAE-SECBINFHSA-N -1 3 386.872 3.644 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000822477197 607328961 /nfs/dbraw/zinc/32/89/61/607328961.db2.gz JDTHSTJBILZAAE-SECBINFHSA-N -1 3 386.872 3.644 20 0 GHADHM Fc1ccc(NCc2cnoc2-c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000822782974 607332046 /nfs/dbraw/zinc/33/20/46/607332046.db2.gz OALIPLKRCZDJLB-UHFFFAOYSA-N -1 3 376.804 3.988 20 0 GHADHM Fc1ccc(NCc2cnoc2-c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000822782974 607332047 /nfs/dbraw/zinc/33/20/47/607332047.db2.gz OALIPLKRCZDJLB-UHFFFAOYSA-N -1 3 376.804 3.988 20 0 GHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000820149372 598192114 /nfs/dbraw/zinc/19/21/14/598192114.db2.gz WGWMLZISWGLPLC-OAHLLOKOSA-N -1 3 387.501 3.952 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000738292266 598231069 /nfs/dbraw/zinc/23/10/69/598231069.db2.gz KYTTYSHLFNNRCC-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000738292266 598231071 /nfs/dbraw/zinc/23/10/71/598231071.db2.gz KYTTYSHLFNNRCC-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737796968 598232381 /nfs/dbraw/zinc/23/23/81/598232381.db2.gz HUXDTWWJJURFLO-XEDBTPMOSA-N -1 3 377.423 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737796968 598232383 /nfs/dbraw/zinc/23/23/83/598232383.db2.gz HUXDTWWJJURFLO-XEDBTPMOSA-N -1 3 377.423 3.677 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1sccc1-c1nnn[n-]1 ZINC000738173319 598233175 /nfs/dbraw/zinc/23/31/75/598233175.db2.gz OBTQAKAZBPVWLK-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1sccc1-c1nn[n-]n1 ZINC000738173319 598233177 /nfs/dbraw/zinc/23/31/77/598233177.db2.gz OBTQAKAZBPVWLK-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737636484 598245762 /nfs/dbraw/zinc/24/57/62/598245762.db2.gz UKDUNGJBWUBHHA-WBMJQRKESA-N -1 3 386.381 3.737 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737636484 598245764 /nfs/dbraw/zinc/24/57/64/598245764.db2.gz UKDUNGJBWUBHHA-WBMJQRKESA-N -1 3 386.381 3.737 20 0 GHADHM c1ccc2sc(CN3CCC(Oc4cccc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000738420155 598249640 /nfs/dbraw/zinc/24/96/40/598249640.db2.gz WTBBQWXIIJKOPI-UHFFFAOYSA-N -1 3 392.488 3.520 20 0 GHADHM c1ccc2sc(CN3CCC(Oc4cccc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000738420155 598249641 /nfs/dbraw/zinc/24/96/41/598249641.db2.gz WTBBQWXIIJKOPI-UHFFFAOYSA-N -1 3 392.488 3.520 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000735906324 598263353 /nfs/dbraw/zinc/26/33/53/598263353.db2.gz RNICPOCKQGZSEO-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000735906324 598263354 /nfs/dbraw/zinc/26/33/54/598263354.db2.gz RNICPOCKQGZSEO-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736263428 598267336 /nfs/dbraw/zinc/26/73/36/598267336.db2.gz QQFHHVXZPRUGOL-SCLBCKFNSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736263428 598267338 /nfs/dbraw/zinc/26/73/38/598267338.db2.gz QQFHHVXZPRUGOL-SCLBCKFNSA-N -1 3 378.436 3.969 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000738385704 598275717 /nfs/dbraw/zinc/27/57/17/598275717.db2.gz XUHWXQVLCHIRSL-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735994454 598276509 /nfs/dbraw/zinc/27/65/09/598276509.db2.gz YKJDHRDMSJWYNX-AWEZNQCLSA-N -1 3 381.484 3.566 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735994454 598276510 /nfs/dbraw/zinc/27/65/10/598276510.db2.gz YKJDHRDMSJWYNX-AWEZNQCLSA-N -1 3 381.484 3.566 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737805109 598279704 /nfs/dbraw/zinc/27/97/04/598279704.db2.gz GVSUDDDJGSOJSB-FPLPWBNLSA-N -1 3 398.467 3.773 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737805109 598279705 /nfs/dbraw/zinc/27/97/05/598279705.db2.gz GVSUDDDJGSOJSB-FPLPWBNLSA-N -1 3 398.467 3.773 20 0 GHADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736655453 598280937 /nfs/dbraw/zinc/28/09/37/598280937.db2.gz SVXPXSVNUNDPQB-ZDUSSCGKSA-N -1 3 397.483 3.705 20 0 GHADHM CCOc1ccccc1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736655453 598280938 /nfs/dbraw/zinc/28/09/38/598280938.db2.gz SVXPXSVNUNDPQB-ZDUSSCGKSA-N -1 3 397.483 3.705 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736259596 598282365 /nfs/dbraw/zinc/28/23/65/598282365.db2.gz FMGYVHRLTURJJN-XJKSGUPXSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736259596 598282366 /nfs/dbraw/zinc/28/23/66/598282366.db2.gz FMGYVHRLTURJJN-XJKSGUPXSA-N -1 3 379.489 3.936 20 0 GHADHM CC(C)[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735707204 598293880 /nfs/dbraw/zinc/29/38/80/598293880.db2.gz HGFWRERELPABKR-OAHLLOKOSA-N -1 3 396.470 3.762 20 0 GHADHM CC(C)[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735707204 598293882 /nfs/dbraw/zinc/29/38/82/598293882.db2.gz HGFWRERELPABKR-OAHLLOKOSA-N -1 3 396.470 3.762 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1sccc1-c1ccc(F)cc1 ZINC000738100962 598299843 /nfs/dbraw/zinc/29/98/43/598299843.db2.gz BUVJOIGWCMVAGO-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1sccc1-c1ccc(F)cc1 ZINC000738100962 598299845 /nfs/dbraw/zinc/29/98/45/598299845.db2.gz BUVJOIGWCMVAGO-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM CCC(CC)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736333565 598311130 /nfs/dbraw/zinc/31/11/30/598311130.db2.gz AUDLRMHIYBMKCQ-UHFFFAOYSA-N -1 3 399.882 3.731 20 0 GHADHM CC(C)N(C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000735851435 598314324 /nfs/dbraw/zinc/31/43/24/598314324.db2.gz UTUVQFPDHSKTIT-UHFFFAOYSA-N -1 3 385.468 3.681 20 0 GHADHM CC(C)N(C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000735851435 598314326 /nfs/dbraw/zinc/31/43/26/598314326.db2.gz UTUVQFPDHSKTIT-UHFFFAOYSA-N -1 3 385.468 3.681 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735992706 598316254 /nfs/dbraw/zinc/31/62/54/598316254.db2.gz LQXBWLDKSLNSOK-GFCCVEGCSA-N -1 3 386.912 3.828 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735992706 598316256 /nfs/dbraw/zinc/31/62/56/598316256.db2.gz LQXBWLDKSLNSOK-GFCCVEGCSA-N -1 3 386.912 3.828 20 0 GHADHM CCc1ccc(CN(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736693080 598317091 /nfs/dbraw/zinc/31/70/91/598317091.db2.gz WVGAJIKHFKGRKE-UHFFFAOYSA-N -1 3 386.912 3.911 20 0 GHADHM CCc1ccc(CN(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736693080 598317093 /nfs/dbraw/zinc/31/70/93/598317093.db2.gz WVGAJIKHFKGRKE-UHFFFAOYSA-N -1 3 386.912 3.911 20 0 GHADHM S=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738401290 598317464 /nfs/dbraw/zinc/31/74/64/598317464.db2.gz NHXBXWDMZXFPRG-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM S=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738401290 598317466 /nfs/dbraw/zinc/31/74/66/598317466.db2.gz NHXBXWDMZXFPRG-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM S=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400590 598317818 /nfs/dbraw/zinc/31/78/18/598317818.db2.gz HHIZZLRZVCCINV-UHFFFAOYSA-N -1 3 379.276 3.660 20 0 GHADHM S=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400590 598317820 /nfs/dbraw/zinc/31/78/20/598317820.db2.gz HHIZZLRZVCCINV-UHFFFAOYSA-N -1 3 379.276 3.660 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc21 ZINC000736289947 598318253 /nfs/dbraw/zinc/31/82/53/598318253.db2.gz FXFQXTAJSYTSIW-LLVKDONJSA-N -1 3 384.896 3.836 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc21 ZINC000736289947 598318255 /nfs/dbraw/zinc/31/82/55/598318255.db2.gz FXFQXTAJSYTSIW-LLVKDONJSA-N -1 3 384.896 3.836 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000738408470 598319590 /nfs/dbraw/zinc/31/95/90/598319590.db2.gz LRIYPCIRKBYDMO-INIZCTEOSA-N -1 3 384.896 3.958 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000738408470 598319592 /nfs/dbraw/zinc/31/95/92/598319592.db2.gz LRIYPCIRKBYDMO-INIZCTEOSA-N -1 3 384.896 3.958 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735912630 598321428 /nfs/dbraw/zinc/32/14/28/598321428.db2.gz GVDVJJNAPBDUSQ-ZDUSSCGKSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735912630 598321429 /nfs/dbraw/zinc/32/14/29/598321429.db2.gz GVDVJJNAPBDUSQ-ZDUSSCGKSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000102325204 598325010 /nfs/dbraw/zinc/32/50/10/598325010.db2.gz LYXBINCKKMVRRW-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000102325204 598325011 /nfs/dbraw/zinc/32/50/11/598325011.db2.gz LYXBINCKKMVRRW-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000736116504 598325070 /nfs/dbraw/zinc/32/50/70/598325070.db2.gz FDMHAORJHKVGKJ-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000736116504 598325073 /nfs/dbraw/zinc/32/50/73/598325073.db2.gz FDMHAORJHKVGKJ-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000104367795 598325079 /nfs/dbraw/zinc/32/50/79/598325079.db2.gz KOQBCVJJCIZLTQ-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000104367795 598325083 /nfs/dbraw/zinc/32/50/83/598325083.db2.gz KOQBCVJJCIZLTQ-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C(F)F)cc1 ZINC000737026953 598325585 /nfs/dbraw/zinc/32/55/85/598325585.db2.gz ULUZZXVTAAYVLC-UHFFFAOYSA-N -1 3 380.738 3.686 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C(F)F)cc1 ZINC000737026953 598325586 /nfs/dbraw/zinc/32/55/86/598325586.db2.gz ULUZZXVTAAYVLC-UHFFFAOYSA-N -1 3 380.738 3.686 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccc(F)c1F ZINC000738211290 598326148 /nfs/dbraw/zinc/32/61/48/598326148.db2.gz MPGWOZCRJYFATK-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccc(F)c1F ZINC000738211290 598326149 /nfs/dbraw/zinc/32/61/49/598326149.db2.gz MPGWOZCRJYFATK-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738144228 598326324 /nfs/dbraw/zinc/32/63/24/598326324.db2.gz KIXPADWHVBSAKU-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738144228 598326325 /nfs/dbraw/zinc/32/63/25/598326325.db2.gz KIXPADWHVBSAKU-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM Cc1ccc(N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737346945 598328729 /nfs/dbraw/zinc/32/87/29/598328729.db2.gz JMLIASJEIHEOIY-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM Cc1ccc(N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737346945 598328730 /nfs/dbraw/zinc/32/87/30/598328730.db2.gz JMLIASJEIHEOIY-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM CC(C)Oc1ccccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735912963 598359084 /nfs/dbraw/zinc/35/90/84/598359084.db2.gz KXYJEYCYIJTFNW-UHFFFAOYSA-N -1 3 383.477 3.847 20 0 GHADHM CC(C)Oc1ccccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735912963 598359087 /nfs/dbraw/zinc/35/90/87/598359087.db2.gz KXYJEYCYIJTFNW-UHFFFAOYSA-N -1 3 383.477 3.847 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000737194496 598376045 /nfs/dbraw/zinc/37/60/45/598376045.db2.gz MKLFAGNKBPJLMT-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000737194496 598376047 /nfs/dbraw/zinc/37/60/47/598376047.db2.gz MKLFAGNKBPJLMT-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000736815252 598379842 /nfs/dbraw/zinc/37/98/42/598379842.db2.gz XQJIXGRPJFHEBP-HXUWFJFHSA-N -1 3 391.475 3.526 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000736815252 598379843 /nfs/dbraw/zinc/37/98/43/598379843.db2.gz XQJIXGRPJFHEBP-HXUWFJFHSA-N -1 3 391.475 3.526 20 0 GHADHM Cc1c(Br)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737202129 598380215 /nfs/dbraw/zinc/38/02/15/598380215.db2.gz KOWSLYXSLMBFAO-KTKRTIGZSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1c(Br)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737202129 598380217 /nfs/dbraw/zinc/38/02/17/598380217.db2.gz KOWSLYXSLMBFAO-KTKRTIGZSA-N -1 3 384.237 3.590 20 0 GHADHM CCC(CC)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736338588 598382927 /nfs/dbraw/zinc/38/29/27/598382927.db2.gz YIDJCMFTNOXOKZ-SFHVURJKSA-N -1 3 384.509 3.634 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000737558620 598393799 /nfs/dbraw/zinc/39/37/99/598393799.db2.gz OXPJVGVZDBKFTM-YPMHNXCESA-N -1 3 391.660 3.646 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000737558620 598393801 /nfs/dbraw/zinc/39/38/01/598393801.db2.gz OXPJVGVZDBKFTM-YPMHNXCESA-N -1 3 391.660 3.646 20 0 GHADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736792365 598394008 /nfs/dbraw/zinc/39/40/08/598394008.db2.gz RCVWFESBMDMLIP-WMLDXEAASA-N -1 3 384.871 3.519 20 0 GHADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736792365 598394010 /nfs/dbraw/zinc/39/40/10/598394010.db2.gz RCVWFESBMDMLIP-WMLDXEAASA-N -1 3 384.871 3.519 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000736194194 598416818 /nfs/dbraw/zinc/41/68/18/598416818.db2.gz XLZWSZZMEHBYEP-OLZOCXBDSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000736194194 598416819 /nfs/dbraw/zinc/41/68/19/598416819.db2.gz XLZWSZZMEHBYEP-OLZOCXBDSA-N -1 3 393.472 3.971 20 0 GHADHM O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738216292 598416916 /nfs/dbraw/zinc/41/69/16/598416916.db2.gz XHTWIWBZABLYBO-CYBMUJFWSA-N -1 3 382.729 3.981 20 0 GHADHM O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738216292 598416918 /nfs/dbraw/zinc/41/69/18/598416918.db2.gz XHTWIWBZABLYBO-CYBMUJFWSA-N -1 3 382.729 3.981 20 0 GHADHM CC(C)(CNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735670131 598417951 /nfs/dbraw/zinc/41/79/51/598417951.db2.gz DYUASIFXIMGDBS-UHFFFAOYSA-N -1 3 389.381 3.593 20 0 GHADHM CC(C)(CNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735670131 598417952 /nfs/dbraw/zinc/41/79/52/598417952.db2.gz DYUASIFXIMGDBS-UHFFFAOYSA-N -1 3 389.381 3.593 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1SC(F)F ZINC000736635719 598420582 /nfs/dbraw/zinc/42/05/82/598420582.db2.gz YEOVOMMMYMMGGH-UHFFFAOYSA-N -1 3 397.432 3.894 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1SC(F)F ZINC000736635719 598420584 /nfs/dbraw/zinc/42/05/84/598420584.db2.gz YEOVOMMMYMMGGH-UHFFFAOYSA-N -1 3 397.432 3.894 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453016 598424146 /nfs/dbraw/zinc/42/41/46/598424146.db2.gz KDRGSBAHFXNQQJ-NTEUORMPSA-N -1 3 376.464 3.755 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453016 598424148 /nfs/dbraw/zinc/42/41/48/598424148.db2.gz KDRGSBAHFXNQQJ-NTEUORMPSA-N -1 3 376.464 3.755 20 0 GHADHM CCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000736656032 598426244 /nfs/dbraw/zinc/42/62/44/598426244.db2.gz WLELVSGNMUCDFH-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CCOc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000736656032 598426246 /nfs/dbraw/zinc/42/62/46/598426246.db2.gz WLELVSGNMUCDFH-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000736066576 598430050 /nfs/dbraw/zinc/43/00/50/598430050.db2.gz OUYJMZKAKDJHFD-HNNXBMFYSA-N -1 3 396.470 3.557 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000736066576 598430052 /nfs/dbraw/zinc/43/00/52/598430052.db2.gz OUYJMZKAKDJHFD-HNNXBMFYSA-N -1 3 396.470 3.557 20 0 GHADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736447200 598436594 /nfs/dbraw/zinc/43/65/94/598436594.db2.gz OPLFUFICAYDTMP-UHFFFAOYSA-N -1 3 377.514 3.733 20 0 GHADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736447200 598436595 /nfs/dbraw/zinc/43/65/95/598436595.db2.gz OPLFUFICAYDTMP-UHFFFAOYSA-N -1 3 377.514 3.733 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1 ZINC000737074949 598436802 /nfs/dbraw/zinc/43/68/02/598436802.db2.gz ZNXKGNHBSKTRHM-RYUDHWBXSA-N -1 3 397.504 3.804 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1 ZINC000737074949 598436804 /nfs/dbraw/zinc/43/68/04/598436804.db2.gz ZNXKGNHBSKTRHM-RYUDHWBXSA-N -1 3 397.504 3.804 20 0 GHADHM CC(C)C[C@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc2[nH]ccc2c1 ZINC000735762003 598450811 /nfs/dbraw/zinc/45/08/11/598450811.db2.gz TUTSXPHZOYFYMO-AWEZNQCLSA-N -1 3 389.463 3.824 20 0 GHADHM CC(C)C[C@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc2[nH]ccc2c1 ZINC000735762003 598450813 /nfs/dbraw/zinc/45/08/13/598450813.db2.gz TUTSXPHZOYFYMO-AWEZNQCLSA-N -1 3 389.463 3.824 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737570659 598457544 /nfs/dbraw/zinc/45/75/44/598457544.db2.gz JWGAKVTXSSBXCJ-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000737031840 598470322 /nfs/dbraw/zinc/47/03/22/598470322.db2.gz GTARZOGGTJSFRI-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000737031840 598470323 /nfs/dbraw/zinc/47/03/23/598470323.db2.gz GTARZOGGTJSFRI-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735733900 598472542 /nfs/dbraw/zinc/47/25/42/598472542.db2.gz CUCHCGUPGWPUFH-SFHVURJKSA-N -1 3 382.489 3.868 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735733900 598472544 /nfs/dbraw/zinc/47/25/44/598472544.db2.gz CUCHCGUPGWPUFH-SFHVURJKSA-N -1 3 382.489 3.868 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737418109 598473427 /nfs/dbraw/zinc/47/34/27/598473427.db2.gz MMNGMRMBEADDDB-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737418109 598473429 /nfs/dbraw/zinc/47/34/29/598473429.db2.gz MMNGMRMBEADDDB-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C(NCCCCc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738054160 598478916 /nfs/dbraw/zinc/47/89/16/598478916.db2.gz MPGLAEAPNFQTDW-UHFFFAOYSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCCCCc1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738054160 598478918 /nfs/dbraw/zinc/47/89/18/598478918.db2.gz MPGLAEAPNFQTDW-UHFFFAOYSA-N -1 3 390.491 3.564 20 0 GHADHM CCOCCN(CC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736619474 598483610 /nfs/dbraw/zinc/48/36/10/598483610.db2.gz PLXKJEBNHXABTD-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM CCOCCN(CC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736619474 598483611 /nfs/dbraw/zinc/48/36/11/598483611.db2.gz PLXKJEBNHXABTD-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM C[C@H](OC(=O)CCCOCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153280 598484060 /nfs/dbraw/zinc/48/40/60/598484060.db2.gz XNCAKHZLEVQYGA-INIZCTEOSA-N -1 3 380.448 3.510 20 0 GHADHM C[C@H](OC(=O)CCCOCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153280 598484062 /nfs/dbraw/zinc/48/40/62/598484062.db2.gz XNCAKHZLEVQYGA-INIZCTEOSA-N -1 3 380.448 3.510 20 0 GHADHM C[C@H](OC(=O)c1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000736162003 598489456 /nfs/dbraw/zinc/48/94/56/598489456.db2.gz YPYLQIMWTLSKEE-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000736162003 598489458 /nfs/dbraw/zinc/48/94/58/598489458.db2.gz YPYLQIMWTLSKEE-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3cccc(Cl)c3)c2-c2nnn[n-]2)C1 ZINC000736281816 598494589 /nfs/dbraw/zinc/49/45/89/598494589.db2.gz XHSMPZBODZXFNW-SNVBAGLBSA-N -1 3 387.896 3.888 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3cccc(Cl)c3)c2-c2nn[n-]n2)C1 ZINC000736281816 598494590 /nfs/dbraw/zinc/49/45/90/598494590.db2.gz XHSMPZBODZXFNW-SNVBAGLBSA-N -1 3 387.896 3.888 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1-c1ccccc1 ZINC000737062190 598495009 /nfs/dbraw/zinc/49/50/09/598495009.db2.gz IWHUISVOKJCEER-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1-c1ccccc1 ZINC000737062190 598495010 /nfs/dbraw/zinc/49/50/10/598495010.db2.gz IWHUISVOKJCEER-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM CC(C)N(Cc1csc(-c2ccoc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735875040 598504983 /nfs/dbraw/zinc/50/49/83/598504983.db2.gz YKKYCUXISXEYHJ-UHFFFAOYSA-N -1 3 380.477 3.994 20 0 GHADHM O=C(O[C@@H]1CCSC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738219457 598511441 /nfs/dbraw/zinc/51/14/41/598511441.db2.gz KSKHHQMDHLDPAZ-OAHLLOKOSA-N -1 3 398.513 3.821 20 0 GHADHM O=C(O[C@@H]1CCSC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738219457 598511444 /nfs/dbraw/zinc/51/14/44/598511444.db2.gz KSKHHQMDHLDPAZ-OAHLLOKOSA-N -1 3 398.513 3.821 20 0 GHADHM Cc1cccc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000737380002 598512169 /nfs/dbraw/zinc/51/21/69/598512169.db2.gz JSUNHBKVTZMORQ-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000737380002 598512170 /nfs/dbraw/zinc/51/21/70/598512170.db2.gz JSUNHBKVTZMORQ-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123549 598532545 /nfs/dbraw/zinc/53/25/45/598532545.db2.gz QFUDMILBHZFMCB-CQSZACIVSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123549 598532547 /nfs/dbraw/zinc/53/25/47/598532547.db2.gz QFUDMILBHZFMCB-CQSZACIVSA-N -1 3 377.448 3.679 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737058859 598533094 /nfs/dbraw/zinc/53/30/94/598533094.db2.gz PEQGZJNDLHJDEE-QZTJIDSGSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737058859 598533096 /nfs/dbraw/zinc/53/30/96/598533096.db2.gz PEQGZJNDLHJDEE-QZTJIDSGSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737058854 598533318 /nfs/dbraw/zinc/53/33/18/598533318.db2.gz PEQGZJNDLHJDEE-MSOLQXFVSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737058854 598533319 /nfs/dbraw/zinc/53/33/19/598533319.db2.gz PEQGZJNDLHJDEE-MSOLQXFVSA-N -1 3 385.427 3.771 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)s1 ZINC000735495638 598535745 /nfs/dbraw/zinc/53/57/45/598535745.db2.gz LZHAKFNTEVZEFR-QMMMGPOBSA-N -1 3 387.490 3.569 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)s1 ZINC000735495638 598535747 /nfs/dbraw/zinc/53/57/47/598535747.db2.gz LZHAKFNTEVZEFR-QMMMGPOBSA-N -1 3 387.490 3.569 20 0 GHADHM O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738185303 598538487 /nfs/dbraw/zinc/53/84/87/598538487.db2.gz VWSPCLIOLISUGH-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736244789 598538571 /nfs/dbraw/zinc/53/85/71/598538571.db2.gz NEFDHDSMWQNOJJ-ZIAGYGMSSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736271389 598539938 /nfs/dbraw/zinc/53/99/38/598539938.db2.gz MTSXIBUSNFJWBD-ZBFHGGJFSA-N -1 3 395.463 3.595 20 0 GHADHM COc1cccc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)CCCC2)c1 ZINC000737127619 598543760 /nfs/dbraw/zinc/54/37/60/598543760.db2.gz MAGUHDSGQGYMOD-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM COc1cccc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)CCCC2)c1 ZINC000737127619 598543761 /nfs/dbraw/zinc/54/37/61/598543761.db2.gz MAGUHDSGQGYMOD-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM O=C(C=Cc1ccco1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737808477 598544032 /nfs/dbraw/zinc/54/40/32/598544032.db2.gz UGNMFCACMWCPPC-ZHACJKMWSA-N -1 3 387.399 3.691 20 0 GHADHM O=C(C=Cc1ccco1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737808477 598544034 /nfs/dbraw/zinc/54/40/34/598544034.db2.gz UGNMFCACMWCPPC-ZHACJKMWSA-N -1 3 387.399 3.691 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000737023174 598557545 /nfs/dbraw/zinc/55/75/45/598557545.db2.gz DGQDXIVZJIYJJD-UHFFFAOYSA-N -1 3 396.350 3.706 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000737023174 598557547 /nfs/dbraw/zinc/55/75/47/598557547.db2.gz DGQDXIVZJIYJJD-UHFFFAOYSA-N -1 3 396.350 3.706 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736202262 598561788 /nfs/dbraw/zinc/56/17/88/598561788.db2.gz ICGBKFGAOKYXHI-VIFPVBQESA-N -1 3 394.407 3.755 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736202262 598561789 /nfs/dbraw/zinc/56/17/89/598561789.db2.gz ICGBKFGAOKYXHI-VIFPVBQESA-N -1 3 394.407 3.755 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCS1 ZINC000736278051 598565084 /nfs/dbraw/zinc/56/50/84/598565084.db2.gz DDPXPNWQLQJMNK-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCS1 ZINC000736278051 598565086 /nfs/dbraw/zinc/56/50/86/598565086.db2.gz DDPXPNWQLQJMNK-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738388040 598580770 /nfs/dbraw/zinc/58/07/70/598580770.db2.gz RUWFDVVFJAAXSW-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000737418171 598584099 /nfs/dbraw/zinc/58/40/99/598584099.db2.gz NKFXKOHDHNCRPC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000737418171 598584101 /nfs/dbraw/zinc/58/41/01/598584101.db2.gz NKFXKOHDHNCRPC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(COc2ccccc2)cc1 ZINC000738166571 598591250 /nfs/dbraw/zinc/59/12/50/598591250.db2.gz KFEXQJHKZDYHBV-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(COc2ccccc2)cc1 ZINC000738166571 598591251 /nfs/dbraw/zinc/59/12/51/598591251.db2.gz KFEXQJHKZDYHBV-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738408575 598608576 /nfs/dbraw/zinc/60/85/76/598608576.db2.gz MYSIBQHFNLBEMA-FUHWJXTLSA-N -1 3 392.532 3.955 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738408575 598608577 /nfs/dbraw/zinc/60/85/77/598608577.db2.gz MYSIBQHFNLBEMA-FUHWJXTLSA-N -1 3 392.532 3.955 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1CC(c2ccccc2)C1 ZINC000738409033 598608749 /nfs/dbraw/zinc/60/87/49/598608749.db2.gz OSFBQUNMCBOURP-UHFFFAOYSA-N -1 3 384.896 3.753 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1CC(c2ccccc2)C1 ZINC000738409033 598608751 /nfs/dbraw/zinc/60/87/51/598608751.db2.gz OSFBQUNMCBOURP-UHFFFAOYSA-N -1 3 384.896 3.753 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737639732 598614910 /nfs/dbraw/zinc/61/49/10/598614910.db2.gz RUZCBRTUMJBVCK-UHFFFAOYSA-N -1 3 377.345 3.804 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)N1CCCCC1 ZINC000738172426 598617760 /nfs/dbraw/zinc/61/77/60/598617760.db2.gz LJUJKQWZSYNYKU-UHFFFAOYSA-N -1 3 396.426 3.603 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)N1CCCCC1 ZINC000738172426 598617762 /nfs/dbraw/zinc/61/77/62/598617762.db2.gz LJUJKQWZSYNYKU-UHFFFAOYSA-N -1 3 396.426 3.603 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccccc1Oc1cccnc1 ZINC000737796433 598619412 /nfs/dbraw/zinc/61/94/12/598619412.db2.gz BECBDFDFHLJBGK-VAWYXSNFSA-N -1 3 399.410 3.811 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccccc1Oc1cccnc1 ZINC000737796433 598619414 /nfs/dbraw/zinc/61/94/14/598619414.db2.gz BECBDFDFHLJBGK-VAWYXSNFSA-N -1 3 399.410 3.811 20 0 GHADHM CCN(C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000736504541 598634324 /nfs/dbraw/zinc/63/43/24/598634324.db2.gz BNTAUZJHROGYKR-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CCN(C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000736504541 598634326 /nfs/dbraw/zinc/63/43/26/598634326.db2.gz BNTAUZJHROGYKR-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM Cc1nccn1-c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000737503343 598634629 /nfs/dbraw/zinc/63/46/29/598634629.db2.gz UPIBSEOKIDVAFU-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1nccn1-c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1F ZINC000737503343 598634630 /nfs/dbraw/zinc/63/46/30/598634630.db2.gz UPIBSEOKIDVAFU-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CCn1c(CSc2nc(C)cc(C)c2-c2nnn[n-]2)nc2c1cccc2F ZINC000736712740 598642758 /nfs/dbraw/zinc/64/27/58/598642758.db2.gz ACRRLBDIPFRCNY-UHFFFAOYSA-N -1 3 383.456 3.680 20 0 GHADHM CCn1c(CSc2nc(C)cc(C)c2-c2nn[n-]n2)nc2c1cccc2F ZINC000736712740 598642760 /nfs/dbraw/zinc/64/27/60/598642760.db2.gz ACRRLBDIPFRCNY-UHFFFAOYSA-N -1 3 383.456 3.680 20 0 GHADHM Cc1cc2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)n2c2ccccc12 ZINC000737284301 598643363 /nfs/dbraw/zinc/64/33/63/598643363.db2.gz INLBRABKTLXMSL-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM Cc1cc2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)n2c2ccccc12 ZINC000737284301 598643365 /nfs/dbraw/zinc/64/33/65/598643365.db2.gz INLBRABKTLXMSL-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM C[C@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736255877 598646265 /nfs/dbraw/zinc/64/62/65/598646265.db2.gz XBEHUAIAKCFLNO-SUMWQHHRSA-N -1 3 379.420 3.790 20 0 GHADHM C[C@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736255877 598646267 /nfs/dbraw/zinc/64/62/67/598646267.db2.gz XBEHUAIAKCFLNO-SUMWQHHRSA-N -1 3 379.420 3.790 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736501891 598648146 /nfs/dbraw/zinc/64/81/46/598648146.db2.gz HUXISHHFYABMSV-UHFFFAOYSA-N -1 3 383.427 3.608 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736501891 598648148 /nfs/dbraw/zinc/64/81/48/598648148.db2.gz HUXISHHFYABMSV-UHFFFAOYSA-N -1 3 383.427 3.608 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cscn3)c2-c2nnn[n-]2)C1 ZINC000735596522 598648361 /nfs/dbraw/zinc/64/83/61/598648361.db2.gz JZGFDGOCAUAIGX-VIFPVBQESA-N -1 3 388.522 3.788 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cscn3)c2-c2nn[n-]n2)C1 ZINC000735596522 598648362 /nfs/dbraw/zinc/64/83/62/598648362.db2.gz JZGFDGOCAUAIGX-VIFPVBQESA-N -1 3 388.522 3.788 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCc2cccc(F)c21 ZINC000737831584 598648558 /nfs/dbraw/zinc/64/85/58/598648558.db2.gz BDZGQLXHBTWFOJ-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCc2cccc(F)c21 ZINC000737831584 598648560 /nfs/dbraw/zinc/64/85/60/598648560.db2.gz BDZGQLXHBTWFOJ-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000737833626 598648959 /nfs/dbraw/zinc/64/89/59/598648959.db2.gz YSQVTRFAKWXDIM-JENIJYKNSA-N -1 3 397.523 3.891 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000737833626 598648961 /nfs/dbraw/zinc/64/89/61/598648961.db2.gz YSQVTRFAKWXDIM-JENIJYKNSA-N -1 3 397.523 3.891 20 0 GHADHM CCC1CCC(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736395596 598649996 /nfs/dbraw/zinc/64/99/96/598649996.db2.gz IPOTYTSAKZJOKV-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CCC1CCC(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736395596 598649997 /nfs/dbraw/zinc/64/99/97/598649997.db2.gz IPOTYTSAKZJOKV-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC(F)F ZINC000737095265 598650132 /nfs/dbraw/zinc/65/01/32/598650132.db2.gz GAOFDQIVQKIDJI-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC(F)F ZINC000737095265 598650134 /nfs/dbraw/zinc/65/01/34/598650134.db2.gz GAOFDQIVQKIDJI-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000737357288 598651079 /nfs/dbraw/zinc/65/10/79/598651079.db2.gz OBTHLNMTVMAUJK-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000737357288 598651081 /nfs/dbraw/zinc/65/10/81/598651081.db2.gz OBTHLNMTVMAUJK-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM O=C(NCc1cccc(F)c1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738118095 598652444 /nfs/dbraw/zinc/65/24/44/598652444.db2.gz WSSQWZDXJNKXEY-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1cccc(F)c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738118095 598652445 /nfs/dbraw/zinc/65/24/45/598652445.db2.gz WSSQWZDXJNKXEY-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM CCCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000736491691 598654842 /nfs/dbraw/zinc/65/48/42/598654842.db2.gz XDSVWDWIJRIQCE-UHFFFAOYSA-N -1 3 383.477 3.695 20 0 GHADHM CCCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000736491691 598654843 /nfs/dbraw/zinc/65/48/43/598654843.db2.gz XDSVWDWIJRIQCE-UHFFFAOYSA-N -1 3 383.477 3.695 20 0 GHADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735850985 598655463 /nfs/dbraw/zinc/65/54/63/598655463.db2.gz JCPAFJGBGLKRBR-UHFFFAOYSA-N -1 3 385.512 3.986 20 0 GHADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735850985 598655465 /nfs/dbraw/zinc/65/54/65/598655465.db2.gz JCPAFJGBGLKRBR-UHFFFAOYSA-N -1 3 385.512 3.986 20 0 GHADHM CCn1cnc2c1ncnc2Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736722334 598656443 /nfs/dbraw/zinc/65/64/43/598656443.db2.gz OCEREQWCHQQJQK-UHFFFAOYSA-N -1 3 399.418 3.562 20 0 GHADHM CCn1cnc2c1ncnc2Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736722334 598656445 /nfs/dbraw/zinc/65/64/45/598656445.db2.gz OCEREQWCHQQJQK-UHFFFAOYSA-N -1 3 399.418 3.562 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)sc1-c1ccc(F)cc1 ZINC000737236125 598657745 /nfs/dbraw/zinc/65/77/45/598657745.db2.gz BUFGVHROADVFBS-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)sc1-c1ccc(F)cc1 ZINC000737236125 598657747 /nfs/dbraw/zinc/65/77/47/598657747.db2.gz BUFGVHROADVFBS-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1scnc1-c1ccccc1 ZINC000737949054 598659028 /nfs/dbraw/zinc/65/90/28/598659028.db2.gz WAFDAJMXMRDNIV-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1scnc1-c1ccccc1 ZINC000737949054 598659030 /nfs/dbraw/zinc/65/90/30/598659030.db2.gz WAFDAJMXMRDNIV-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000738385862 598678910 /nfs/dbraw/zinc/67/89/10/598678910.db2.gz ZFQHWTJHIXZADQ-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000738385862 598678911 /nfs/dbraw/zinc/67/89/11/598678911.db2.gz ZFQHWTJHIXZADQ-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000738380125 598679307 /nfs/dbraw/zinc/67/93/07/598679307.db2.gz AFEMCTBLOVTXIR-CYBMUJFWSA-N -1 3 386.189 3.597 20 0 GHADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000738380125 598679308 /nfs/dbraw/zinc/67/93/08/598679308.db2.gz AFEMCTBLOVTXIR-CYBMUJFWSA-N -1 3 386.189 3.597 20 0 GHADHM O=C(CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000822993170 607364829 /nfs/dbraw/zinc/36/48/29/607364829.db2.gz PZZPPMMVGNPJTG-UHFFFAOYSA-N -1 3 391.519 3.617 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737347394 598698136 /nfs/dbraw/zinc/69/81/36/598698136.db2.gz PHCSAPPXMIRYHW-LLVKDONJSA-N -1 3 389.431 3.714 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737347394 598698137 /nfs/dbraw/zinc/69/81/37/598698137.db2.gz PHCSAPPXMIRYHW-LLVKDONJSA-N -1 3 389.431 3.714 20 0 GHADHM CC(C)n1nccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963505 598698240 /nfs/dbraw/zinc/69/82/40/598698240.db2.gz GAOXKLMJIMEOKH-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCC2(CCCCC2)C1 ZINC000737932206 598699217 /nfs/dbraw/zinc/69/92/17/598699217.db2.gz LAJKLAIIFZYWDW-UHFFFAOYSA-N -1 3 385.537 3.673 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(CCCCC2)C1 ZINC000737932206 598699218 /nfs/dbraw/zinc/69/92/18/598699218.db2.gz LAJKLAIIFZYWDW-UHFFFAOYSA-N -1 3 385.537 3.673 20 0 GHADHM Nc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1Oc1ccccc1 ZINC000737774573 598712665 /nfs/dbraw/zinc/71/26/65/598712665.db2.gz RSFYPVKJRLQJBJ-UHFFFAOYSA-N -1 3 387.399 3.598 20 0 GHADHM Nc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1Oc1ccccc1 ZINC000737774573 598712666 /nfs/dbraw/zinc/71/26/66/598712666.db2.gz RSFYPVKJRLQJBJ-UHFFFAOYSA-N -1 3 387.399 3.598 20 0 GHADHM O=C(OCCOC1CCCC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738222222 598727857 /nfs/dbraw/zinc/72/78/57/598727857.db2.gz BWVXZGANHZBJED-UHFFFAOYSA-N -1 3 394.431 3.775 20 0 GHADHM O=C(OCCOC1CCCC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738222222 598727858 /nfs/dbraw/zinc/72/78/58/598727858.db2.gz BWVXZGANHZBJED-UHFFFAOYSA-N -1 3 394.431 3.775 20 0 GHADHM CCc1nc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000736699239 598732458 /nfs/dbraw/zinc/73/24/58/598732458.db2.gz LZUMIEGIYGTWQP-ZDUSSCGKSA-N -1 3 399.524 3.567 20 0 GHADHM CCc1nc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000736699239 598732460 /nfs/dbraw/zinc/73/24/60/598732460.db2.gz LZUMIEGIYGTWQP-ZDUSSCGKSA-N -1 3 399.524 3.567 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000735905181 598735619 /nfs/dbraw/zinc/73/56/19/598735619.db2.gz GIYZTPBPPLJONP-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736277614 598741701 /nfs/dbraw/zinc/74/17/01/598741701.db2.gz AMOFHWWIANRPJM-CHWSQXEVSA-N -1 3 381.505 3.870 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736277614 598741703 /nfs/dbraw/zinc/74/17/03/598741703.db2.gz AMOFHWWIANRPJM-CHWSQXEVSA-N -1 3 381.505 3.870 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ncoc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000736679110 598741958 /nfs/dbraw/zinc/74/19/58/598741958.db2.gz KQNURLVCXWZCAM-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ncoc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000736679110 598741960 /nfs/dbraw/zinc/74/19/60/598741960.db2.gz KQNURLVCXWZCAM-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736664710 598745198 /nfs/dbraw/zinc/74/51/98/598745198.db2.gz CLCKVRYELMXXQB-ZIAGYGMSSA-N -1 3 397.504 3.623 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736664710 598745200 /nfs/dbraw/zinc/74/52/00/598745200.db2.gz CLCKVRYELMXXQB-ZIAGYGMSSA-N -1 3 397.504 3.623 20 0 GHADHM Cc1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC000737310412 598745927 /nfs/dbraw/zinc/74/59/27/598745927.db2.gz ZDNJSCRKOHEBNB-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737415404 598764804 /nfs/dbraw/zinc/76/48/04/598764804.db2.gz QNWYPYJZOYANPY-OXQOHEQNSA-N -1 3 393.491 3.798 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCCc4ccccc4C3)c2c1 ZINC000737644647 598773154 /nfs/dbraw/zinc/77/31/54/598773154.db2.gz JGZPDWRCDMCMNM-UHFFFAOYSA-N -1 3 378.386 3.646 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCCc4ccccc4C3)c2c1 ZINC000737644647 598773155 /nfs/dbraw/zinc/77/31/55/598773155.db2.gz JGZPDWRCDMCMNM-UHFFFAOYSA-N -1 3 378.386 3.646 20 0 GHADHM CCC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccn1 ZINC000736435975 598789165 /nfs/dbraw/zinc/78/91/65/598789165.db2.gz WVQZBQUPIBGLNS-HNNXBMFYSA-N -1 3 387.900 3.743 20 0 GHADHM CCC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccn1 ZINC000736435975 598789167 /nfs/dbraw/zinc/78/91/67/598789167.db2.gz WVQZBQUPIBGLNS-HNNXBMFYSA-N -1 3 387.900 3.743 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735735987 598790905 /nfs/dbraw/zinc/79/09/05/598790905.db2.gz RBUFBWWBFYUEBB-FQEVSTJZSA-N -1 3 395.532 3.956 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735735987 598790908 /nfs/dbraw/zinc/79/09/08/598790908.db2.gz RBUFBWWBFYUEBB-FQEVSTJZSA-N -1 3 395.532 3.956 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCSCC1 ZINC000738184293 598791890 /nfs/dbraw/zinc/79/18/90/598791890.db2.gz NZWFAICNOSGCSH-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCSCC1 ZINC000738184293 598791892 /nfs/dbraw/zinc/79/18/92/598791892.db2.gz NZWFAICNOSGCSH-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000738383763 598795372 /nfs/dbraw/zinc/79/53/72/598795372.db2.gz QDSUZNZLGSBLND-AWEZNQCLSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000738383763 598795373 /nfs/dbraw/zinc/79/53/73/598795373.db2.gz QDSUZNZLGSBLND-AWEZNQCLSA-N -1 3 399.760 3.564 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC/C=C/c1ccccc1 ZINC000736478807 598798556 /nfs/dbraw/zinc/79/85/56/598798556.db2.gz DDJXBFFENNNLIK-RMKNXTFCSA-N -1 3 376.464 3.502 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC/C=C/c1ccccc1 ZINC000736478807 598798558 /nfs/dbraw/zinc/79/85/58/598798558.db2.gz DDJXBFFENNNLIK-RMKNXTFCSA-N -1 3 376.464 3.502 20 0 GHADHM CCc1sc(=O)n(Cc2ccc(F)cc2-c2nnn[n-]2)c1-c1ccccc1 ZINC000736713034 598818643 /nfs/dbraw/zinc/81/86/43/598818643.db2.gz KTGYOBLRKQANFZ-UHFFFAOYSA-N -1 3 381.436 3.507 20 0 GHADHM CCc1sc(=O)n(Cc2ccc(F)cc2-c2nn[n-]n2)c1-c1ccccc1 ZINC000736713034 598818644 /nfs/dbraw/zinc/81/86/44/598818644.db2.gz KTGYOBLRKQANFZ-UHFFFAOYSA-N -1 3 381.436 3.507 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820067594 599293949 /nfs/dbraw/zinc/29/39/49/599293949.db2.gz LEPZQIQMGDXNJA-LBPRGKRZSA-N -1 3 382.390 3.928 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820067594 599293951 /nfs/dbraw/zinc/29/39/51/599293951.db2.gz LEPZQIQMGDXNJA-LBPRGKRZSA-N -1 3 382.390 3.928 20 0 GHADHM O=C(NCCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823198060 599295308 /nfs/dbraw/zinc/29/53/08/599295308.db2.gz XUKQKMFFCGNRBM-UHFFFAOYSA-N -1 3 390.369 3.640 20 0 GHADHM O=C(NCCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823198060 599295309 /nfs/dbraw/zinc/29/53/09/599295309.db2.gz XUKQKMFFCGNRBM-UHFFFAOYSA-N -1 3 390.369 3.640 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1F ZINC000822255108 607367977 /nfs/dbraw/zinc/36/79/77/607367977.db2.gz VUSSEPWQDOMTFD-UHFFFAOYSA-N -1 3 386.456 3.910 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1F ZINC000822255108 607367979 /nfs/dbraw/zinc/36/79/79/607367979.db2.gz VUSSEPWQDOMTFD-UHFFFAOYSA-N -1 3 386.456 3.910 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736329297 599309431 /nfs/dbraw/zinc/30/94/31/599309431.db2.gz SQXJTPQCSDPTCC-OAHLLOKOSA-N -1 3 379.464 3.812 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736329297 599309434 /nfs/dbraw/zinc/30/94/34/599309434.db2.gz SQXJTPQCSDPTCC-OAHLLOKOSA-N -1 3 379.464 3.812 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736746740 599311148 /nfs/dbraw/zinc/31/11/48/599311148.db2.gz AYKDUIXFPHNFHZ-UHFFFAOYSA-N -1 3 387.468 3.970 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736746740 599311150 /nfs/dbraw/zinc/31/11/50/599311150.db2.gz AYKDUIXFPHNFHZ-UHFFFAOYSA-N -1 3 387.468 3.970 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737338379 599314450 /nfs/dbraw/zinc/31/44/50/599314450.db2.gz SBHGCHZQZAYLJI-UHFFFAOYSA-N -1 3 393.472 3.715 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737338379 599314454 /nfs/dbraw/zinc/31/44/54/599314454.db2.gz SBHGCHZQZAYLJI-UHFFFAOYSA-N -1 3 393.472 3.715 20 0 GHADHM COc1ccc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1Br ZINC000821777899 599320043 /nfs/dbraw/zinc/32/00/43/599320043.db2.gz OAMZLLLCMUTGSC-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1Br ZINC000821777899 599320044 /nfs/dbraw/zinc/32/00/44/599320044.db2.gz OAMZLLLCMUTGSC-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737140826 599329844 /nfs/dbraw/zinc/32/98/44/599329844.db2.gz GBGMGIAICGKGAX-KBPBESRZSA-N -1 3 397.504 3.547 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737140826 599329847 /nfs/dbraw/zinc/32/98/47/599329847.db2.gz GBGMGIAICGKGAX-KBPBESRZSA-N -1 3 397.504 3.547 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820316945 599346292 /nfs/dbraw/zinc/34/62/92/599346292.db2.gz XWXMBVLRXPCSCR-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820316945 599346294 /nfs/dbraw/zinc/34/62/94/599346294.db2.gz XWXMBVLRXPCSCR-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000820211290 599357143 /nfs/dbraw/zinc/35/71/43/599357143.db2.gz GVRZWZVVHSTOGL-LBPRGKRZSA-N -1 3 376.424 3.608 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000820211290 599357148 /nfs/dbraw/zinc/35/71/48/599357148.db2.gz GVRZWZVVHSTOGL-LBPRGKRZSA-N -1 3 376.424 3.608 20 0 GHADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820727215 599359424 /nfs/dbraw/zinc/35/94/24/599359424.db2.gz IZPKYHOUFQQQSI-ZYHUDNBSSA-N -1 3 378.358 3.851 20 0 GHADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820727215 599359427 /nfs/dbraw/zinc/35/94/27/599359427.db2.gz IZPKYHOUFQQQSI-ZYHUDNBSSA-N -1 3 378.358 3.851 20 0 GHADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000822136720 599360589 /nfs/dbraw/zinc/36/05/89/599360589.db2.gz OUGNAYLKQXOGKY-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000822136720 599360592 /nfs/dbraw/zinc/36/05/92/599360592.db2.gz OUGNAYLKQXOGKY-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(NC(=O)OCC(C)C)c1 ZINC000821736976 607371983 /nfs/dbraw/zinc/37/19/83/607371983.db2.gz PPRBSJBWZNXDDS-UHFFFAOYSA-N -1 3 396.451 3.692 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(NC(=O)OCC(C)C)c1 ZINC000821736976 607371984 /nfs/dbraw/zinc/37/19/84/607371984.db2.gz PPRBSJBWZNXDDS-UHFFFAOYSA-N -1 3 396.451 3.692 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819946419 599385273 /nfs/dbraw/zinc/38/52/73/599385273.db2.gz JIFAGWDBSLERSO-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819946419 599385275 /nfs/dbraw/zinc/38/52/75/599385275.db2.gz JIFAGWDBSLERSO-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415128 607372274 /nfs/dbraw/zinc/37/22/74/607372274.db2.gz SEZGCQGXLDQWRI-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415128 607372276 /nfs/dbraw/zinc/37/22/76/607372276.db2.gz SEZGCQGXLDQWRI-VQTJNVASSA-N -1 3 398.422 3.550 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178447 599408894 /nfs/dbraw/zinc/40/88/94/599408894.db2.gz QMTFSYHSNJSLGB-GJZGRUSLSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178447 599408898 /nfs/dbraw/zinc/40/88/98/599408898.db2.gz QMTFSYHSNJSLGB-GJZGRUSLSA-N -1 3 394.479 3.775 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000737571119 599414592 /nfs/dbraw/zinc/41/45/92/599414592.db2.gz SLARWHRRGMHFCB-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000737571119 599414597 /nfs/dbraw/zinc/41/45/97/599414597.db2.gz SLARWHRRGMHFCB-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735987915 599420148 /nfs/dbraw/zinc/42/01/48/599420148.db2.gz YJJRTMWDDZCCJL-CYBMUJFWSA-N -1 3 388.431 3.577 20 0 GHADHM C[C@H](CCc1ccc2c(c1)OCO2)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735987915 599420150 /nfs/dbraw/zinc/42/01/50/599420150.db2.gz YJJRTMWDDZCCJL-CYBMUJFWSA-N -1 3 388.431 3.577 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821431253 599431433 /nfs/dbraw/zinc/43/14/33/599431433.db2.gz NPEQQAWAGKYWKD-KBXCAEBGSA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821431253 599431434 /nfs/dbraw/zinc/43/14/34/599431434.db2.gz NPEQQAWAGKYWKD-KBXCAEBGSA-N -1 3 394.479 3.777 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000822419779 599432145 /nfs/dbraw/zinc/43/21/45/599432145.db2.gz VITQURSQPARPCE-JTQLQIEISA-N -1 3 384.440 3.882 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227595 599434465 /nfs/dbraw/zinc/43/44/65/599434465.db2.gz OLLAXCALJGGUEA-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227595 599434468 /nfs/dbraw/zinc/43/44/68/599434468.db2.gz OLLAXCALJGGUEA-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736055966 599467905 /nfs/dbraw/zinc/46/79/05/599467905.db2.gz KDHGNZSTLZBGLG-TZIYXEQSSA-N -1 3 381.867 3.623 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736055966 599467908 /nfs/dbraw/zinc/46/79/08/599467908.db2.gz KDHGNZSTLZBGLG-TZIYXEQSSA-N -1 3 381.867 3.623 20 0 GHADHM CCC(CC)(CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820887662 599469127 /nfs/dbraw/zinc/46/91/27/599469127.db2.gz LDGHFUXZBZAZEO-INIZCTEOSA-N -1 3 392.507 3.985 20 0 GHADHM CCC(CC)(CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820887662 599469129 /nfs/dbraw/zinc/46/91/29/599469129.db2.gz LDGHFUXZBZAZEO-INIZCTEOSA-N -1 3 392.507 3.985 20 0 GHADHM CC(C)[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820353109 599473774 /nfs/dbraw/zinc/47/37/74/599473774.db2.gz YDUNGGCIMXWCAR-UGSOOPFHSA-N -1 3 382.443 3.763 20 0 GHADHM CC(C)[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820353109 599473775 /nfs/dbraw/zinc/47/37/75/599473775.db2.gz YDUNGGCIMXWCAR-UGSOOPFHSA-N -1 3 382.443 3.763 20 0 GHADHM C[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342890 599475701 /nfs/dbraw/zinc/47/57/01/599475701.db2.gz XWUNMZUOPDEDEU-AWEZNQCLSA-N -1 3 392.438 3.566 20 0 GHADHM C[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342890 599475702 /nfs/dbraw/zinc/47/57/02/599475702.db2.gz XWUNMZUOPDEDEU-AWEZNQCLSA-N -1 3 392.438 3.566 20 0 GHADHM COc1cccc(Oc2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cn2)c1 ZINC000821877652 599482491 /nfs/dbraw/zinc/48/24/91/599482491.db2.gz OWVYVLRBCYSVOK-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1cccc(Oc2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cn2)c1 ZINC000821877652 599482493 /nfs/dbraw/zinc/48/24/93/599482493.db2.gz OWVYVLRBCYSVOK-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1ccc(C2(CNc3c(Cl)cccc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000821782844 599493209 /nfs/dbraw/zinc/49/32/09/599493209.db2.gz PUNDCUVFHRYJFE-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM COc1ccc(C2(CNc3c(Cl)cccc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000821782844 599493212 /nfs/dbraw/zinc/49/32/12/599493212.db2.gz PUNDCUVFHRYJFE-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCS1 ZINC000822206104 599495287 /nfs/dbraw/zinc/49/52/87/599495287.db2.gz UPYCKHGOPKZPNB-SFHVURJKSA-N -1 3 397.479 3.743 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCS1 ZINC000822206104 599495290 /nfs/dbraw/zinc/49/52/90/599495290.db2.gz UPYCKHGOPKZPNB-SFHVURJKSA-N -1 3 397.479 3.743 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000823689355 599500079 /nfs/dbraw/zinc/50/00/79/599500079.db2.gz FLEOQDVTBFTZFS-ZDUSSCGKSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000823689355 599500083 /nfs/dbraw/zinc/50/00/83/599500083.db2.gz FLEOQDVTBFTZFS-ZDUSSCGKSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccccc2F)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322433 599508633 /nfs/dbraw/zinc/50/86/33/599508633.db2.gz SOEDUVONIRZYDZ-CQSZACIVSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccccc2F)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322433 599508636 /nfs/dbraw/zinc/50/86/36/599508636.db2.gz SOEDUVONIRZYDZ-CQSZACIVSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820402687 599509688 /nfs/dbraw/zinc/50/96/88/599509688.db2.gz FFVQUDXGHAAAGD-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820402687 599509690 /nfs/dbraw/zinc/50/96/90/599509690.db2.gz FFVQUDXGHAAAGD-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)sc1C ZINC000822436893 599512310 /nfs/dbraw/zinc/51/23/10/599512310.db2.gz SVVURKVMUFXJRD-CQSZACIVSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)sc1C ZINC000822436893 599512312 /nfs/dbraw/zinc/51/23/12/599512312.db2.gz SVVURKVMUFXJRD-CQSZACIVSA-N -1 3 391.504 3.872 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328866 599516995 /nfs/dbraw/zinc/51/69/95/599516995.db2.gz SBWZASCYWYSSSK-HNNXBMFYSA-N -1 3 386.459 3.672 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328866 599516998 /nfs/dbraw/zinc/51/69/98/599516998.db2.gz SBWZASCYWYSSSK-HNNXBMFYSA-N -1 3 386.459 3.672 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392565 599519418 /nfs/dbraw/zinc/51/94/18/599519418.db2.gz WAPHGVAQITZTJN-GFCCVEGCSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392565 599519419 /nfs/dbraw/zinc/51/94/19/599519419.db2.gz WAPHGVAQITZTJN-GFCCVEGCSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155282607 599538471 /nfs/dbraw/zinc/53/84/71/599538471.db2.gz JDMPBUOERSSDDI-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155282607 599538472 /nfs/dbraw/zinc/53/84/72/599538472.db2.gz JDMPBUOERSSDDI-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000736637960 599544285 /nfs/dbraw/zinc/54/42/85/599544285.db2.gz VUUMRZKERAFGQC-AWEZNQCLSA-N -1 3 379.464 3.960 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000736637960 599544286 /nfs/dbraw/zinc/54/42/86/599544286.db2.gz VUUMRZKERAFGQC-AWEZNQCLSA-N -1 3 379.464 3.960 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821061565 599545630 /nfs/dbraw/zinc/54/56/30/599545630.db2.gz QLDVFBITYWLONM-OAHLLOKOSA-N -1 3 378.480 3.594 20 0 GHADHM CCCCN(C)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821061565 599545632 /nfs/dbraw/zinc/54/56/32/599545632.db2.gz QLDVFBITYWLONM-OAHLLOKOSA-N -1 3 378.480 3.594 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736362930 599550015 /nfs/dbraw/zinc/55/00/15/599550015.db2.gz LMKQWAYQYGMQKA-MRXNPFEDSA-N -1 3 389.431 3.505 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736362930 599550018 /nfs/dbraw/zinc/55/00/18/599550018.db2.gz LMKQWAYQYGMQKA-MRXNPFEDSA-N -1 3 389.431 3.505 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332859 599558460 /nfs/dbraw/zinc/55/84/60/599558460.db2.gz WRCGBPWGYHUJOE-IIBYNOLFSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@H](C)N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000822229531 599568041 /nfs/dbraw/zinc/56/80/41/599568041.db2.gz WNYISWRVKBBIQL-HNNXBMFYSA-N -1 3 389.463 3.727 20 0 GHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736302062 599569076 /nfs/dbraw/zinc/56/90/76/599569076.db2.gz PSKLECOJFMZNKL-KGLIPLIRSA-N -1 3 394.504 3.576 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737334569 599600005 /nfs/dbraw/zinc/60/00/05/599600005.db2.gz IZIIHSLWOUXKSG-HNNXBMFYSA-N -1 3 395.511 3.827 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737334569 599600006 /nfs/dbraw/zinc/60/00/06/599600006.db2.gz IZIIHSLWOUXKSG-HNNXBMFYSA-N -1 3 395.511 3.827 20 0 GHADHM CC(C)(C)OCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735640064 599606735 /nfs/dbraw/zinc/60/67/35/599606735.db2.gz WMMHNLMMUZGZGN-UHFFFAOYSA-N -1 3 381.436 3.582 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737333959 599609067 /nfs/dbraw/zinc/60/90/67/599609067.db2.gz DCJPRDQCSLQOEY-VIFPVBQESA-N -1 3 376.873 3.643 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737333959 599609069 /nfs/dbraw/zinc/60/90/69/599609069.db2.gz DCJPRDQCSLQOEY-VIFPVBQESA-N -1 3 376.873 3.643 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3cc(F)ccc3F)c2-c2nnn[n-]2)C1 ZINC000820727401 599628406 /nfs/dbraw/zinc/62/84/06/599628406.db2.gz LLVKLJPIPAMUGR-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3cc(F)ccc3F)c2-c2nn[n-]n2)C1 ZINC000820727401 599628407 /nfs/dbraw/zinc/62/84/07/599628407.db2.gz LLVKLJPIPAMUGR-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(OC2CCC2)cc1 ZINC000823387481 599628977 /nfs/dbraw/zinc/62/89/77/599628977.db2.gz LSHRLSDDLBLGLU-UHFFFAOYSA-N -1 3 395.488 3.991 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(OC2CCC2)cc1 ZINC000823387481 599628978 /nfs/dbraw/zinc/62/89/78/599628978.db2.gz LSHRLSDDLBLGLU-UHFFFAOYSA-N -1 3 395.488 3.991 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)cc(F)c1 ZINC000821390279 599629500 /nfs/dbraw/zinc/62/95/00/599629500.db2.gz WPPBOWQVILDGFZ-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)cc(F)c1 ZINC000821390279 599629501 /nfs/dbraw/zinc/62/95/01/599629501.db2.gz WPPBOWQVILDGFZ-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC000822227723 599629734 /nfs/dbraw/zinc/62/97/34/599629734.db2.gz TWRREDBDLHGXLC-CQSZACIVSA-N -1 3 377.404 3.698 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC000822227723 599629735 /nfs/dbraw/zinc/62/97/35/599629735.db2.gz TWRREDBDLHGXLC-CQSZACIVSA-N -1 3 377.404 3.698 20 0 GHADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823074834 599632394 /nfs/dbraw/zinc/63/23/94/599632394.db2.gz YNWVABNOMMRDEC-UHFFFAOYSA-N -1 3 386.337 3.548 20 0 GHADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823074834 599632395 /nfs/dbraw/zinc/63/23/95/599632395.db2.gz YNWVABNOMMRDEC-UHFFFAOYSA-N -1 3 386.337 3.548 20 0 GHADHM Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822197748 599632775 /nfs/dbraw/zinc/63/27/75/599632775.db2.gz NQVDUUCSHRQNFW-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822197748 599632776 /nfs/dbraw/zinc/63/27/76/599632776.db2.gz NQVDUUCSHRQNFW-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822355945 599680832 /nfs/dbraw/zinc/68/08/32/599680832.db2.gz CRUHKBKJELWPCJ-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822355945 599680833 /nfs/dbraw/zinc/68/08/33/599680833.db2.gz CRUHKBKJELWPCJ-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349328 599681121 /nfs/dbraw/zinc/68/11/21/599681121.db2.gz HKPPJFVENDQBDS-PBHICJAKSA-N -1 3 380.452 3.848 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349328 599681122 /nfs/dbraw/zinc/68/11/22/599681122.db2.gz HKPPJFVENDQBDS-PBHICJAKSA-N -1 3 380.452 3.848 20 0 GHADHM O=C(OC[C@@H]1CCCS1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823400405 599685197 /nfs/dbraw/zinc/68/51/97/599685197.db2.gz COTVATXTZJPPSY-KRWDZBQOSA-N -1 3 382.445 3.711 20 0 GHADHM O=C(OC[C@@H]1CCCS1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823400405 599685198 /nfs/dbraw/zinc/68/51/98/599685198.db2.gz COTVATXTZJPPSY-KRWDZBQOSA-N -1 3 382.445 3.711 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820966401 599692505 /nfs/dbraw/zinc/69/25/05/599692505.db2.gz DVVBQFZKHJPXRT-XJKSGUPXSA-N -1 3 393.451 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820966401 599692506 /nfs/dbraw/zinc/69/25/06/599692506.db2.gz DVVBQFZKHJPXRT-XJKSGUPXSA-N -1 3 393.451 3.706 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559343 599713307 /nfs/dbraw/zinc/71/33/07/599713307.db2.gz BRFYLDYSOXYOSL-UBHSHLNASA-N -1 3 399.472 3.875 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559343 599713308 /nfs/dbraw/zinc/71/33/08/599713308.db2.gz BRFYLDYSOXYOSL-UBHSHLNASA-N -1 3 399.472 3.875 20 0 GHADHM CCc1[nH]c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737239774 599742285 /nfs/dbraw/zinc/74/22/85/599742285.db2.gz DVNMDPAKMWCTRP-SFHVURJKSA-N -1 3 383.492 3.541 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1 ZINC000426797230 599790244 /nfs/dbraw/zinc/79/02/44/599790244.db2.gz AQKCVOFEGBZVHS-CQSZACIVSA-N -1 3 386.192 3.966 20 0 GHADHM O=C([C@@H]1CCCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822916759 607404314 /nfs/dbraw/zinc/40/43/14/607404314.db2.gz CDPXUAKNKVMTKJ-SFHVURJKSA-N -1 3 397.866 3.622 20 0 GHADHM O=C([C@@H]1CCCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822916759 607404315 /nfs/dbraw/zinc/40/43/15/607404315.db2.gz CDPXUAKNKVMTKJ-SFHVURJKSA-N -1 3 397.866 3.622 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000826254409 607406029 /nfs/dbraw/zinc/40/60/29/607406029.db2.gz JSWZKCVVLXLILG-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000826254409 607406030 /nfs/dbraw/zinc/40/60/30/607406030.db2.gz JSWZKCVVLXLILG-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347768 607415630 /nfs/dbraw/zinc/41/56/30/607415630.db2.gz NCIOUWMDMHCQFS-WOJBJXKFSA-N -1 3 387.487 3.899 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347768 607415632 /nfs/dbraw/zinc/41/56/32/607415632.db2.gz NCIOUWMDMHCQFS-WOJBJXKFSA-N -1 3 387.487 3.899 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824753150 607423348 /nfs/dbraw/zinc/42/33/48/607423348.db2.gz CRBIEPLLFATJCN-LBPRGKRZSA-N -1 3 399.907 3.806 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824753150 607423350 /nfs/dbraw/zinc/42/33/50/607423350.db2.gz CRBIEPLLFATJCN-LBPRGKRZSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(CCSc1ccccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826407964 607426107 /nfs/dbraw/zinc/42/61/07/607426107.db2.gz KELQZXVRTVJKJR-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM O=C(CCSc1ccccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407964 607426108 /nfs/dbraw/zinc/42/61/08/607426108.db2.gz KELQZXVRTVJKJR-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736724478 600282549 /nfs/dbraw/zinc/28/25/49/600282549.db2.gz MBLGNAGOADPDSA-CXAGYDPISA-N -1 3 387.867 3.995 20 0 GHADHM CN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817833 607435251 /nfs/dbraw/zinc/43/52/51/607435251.db2.gz QAVXSLXYXAFWII-UHFFFAOYSA-N -1 3 398.879 3.725 20 0 GHADHM CN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817833 607435252 /nfs/dbraw/zinc/43/52/52/607435252.db2.gz QAVXSLXYXAFWII-UHFFFAOYSA-N -1 3 398.879 3.725 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000737337262 600408085 /nfs/dbraw/zinc/40/80/85/600408085.db2.gz WVDOBVFVJGYXRD-INIZCTEOSA-N -1 3 382.888 3.797 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429898 607448404 /nfs/dbraw/zinc/44/84/04/607448404.db2.gz PHIGTIFXYNQUBZ-RVKKMQEKSA-N -1 3 380.496 3.514 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429898 607448405 /nfs/dbraw/zinc/44/84/05/607448405.db2.gz PHIGTIFXYNQUBZ-RVKKMQEKSA-N -1 3 380.496 3.514 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826283174 607453685 /nfs/dbraw/zinc/45/36/85/607453685.db2.gz MFOWPFNCNHOZNQ-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826283174 607453686 /nfs/dbraw/zinc/45/36/86/607453686.db2.gz MFOWPFNCNHOZNQ-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1c2c(nc(SCc3noc(C4CCCCC4)n3)c1-c1nnn[n-]1)CCC2 ZINC000822129020 607463091 /nfs/dbraw/zinc/46/30/91/607463091.db2.gz GZTXZBPSXICLBG-UHFFFAOYSA-N -1 3 397.508 3.782 20 0 GHADHM Cc1c2c(nc(SCc3noc(C4CCCCC4)n3)c1-c1nn[n-]n1)CCC2 ZINC000822129020 607463093 /nfs/dbraw/zinc/46/30/93/607463093.db2.gz GZTXZBPSXICLBG-UHFFFAOYSA-N -1 3 397.508 3.782 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)N[C@H](C(=O)[O-])c3cccc(Cl)c3)ccc2NC1=O ZINC000829170374 600694938 /nfs/dbraw/zinc/69/49/38/600694938.db2.gz PGELXRQJPXCKOU-PBQZTSCYSA-N -1 3 388.851 3.926 20 0 GHADHM CC(C)N(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CCOCC1 ZINC000736457548 600717860 /nfs/dbraw/zinc/71/78/60/600717860.db2.gz NQVQPELTANWVTL-UHFFFAOYSA-N -1 3 389.279 3.520 20 0 GHADHM CN(C)Cc1cccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000737371142 600802040 /nfs/dbraw/zinc/80/20/40/600802040.db2.gz YOCHADANSGVBBA-JOCHJYFZSA-N -1 3 390.483 3.575 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000826053134 601202539 /nfs/dbraw/zinc/20/25/39/601202539.db2.gz IKSKKPSHYVAXNN-GTNSWQLSSA-N -1 3 381.259 3.984 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000826051054 601204748 /nfs/dbraw/zinc/20/47/48/601204748.db2.gz AACASOVMHOPPSS-GTNSWQLSSA-N -1 3 381.259 3.984 20 0 GHADHM Cc1nccn1C[C@@H]1CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833010789 601384328 /nfs/dbraw/zinc/38/43/28/601384328.db2.gz LZUWTJZUQRPEST-SFHVURJKSA-N -1 3 382.489 3.678 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000830363839 601417957 /nfs/dbraw/zinc/41/79/57/601417957.db2.gz YBFDAQHLCWQWTE-CYBMUJFWSA-N -1 3 380.485 3.665 20 0 GHADHM CCCCn1ncc(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C ZINC000821083448 607508117 /nfs/dbraw/zinc/50/81/17/607508117.db2.gz ZCEFFGOJVRFMOC-UHFFFAOYSA-N -1 3 398.471 3.603 20 0 GHADHM CCCCn1ncc(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C ZINC000821083448 607508119 /nfs/dbraw/zinc/50/81/19/607508119.db2.gz ZCEFFGOJVRFMOC-UHFFFAOYSA-N -1 3 398.471 3.603 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832890532 601650986 /nfs/dbraw/zinc/65/09/86/601650986.db2.gz HJYZCAVHYDTBRU-HTAPYJJXSA-N -1 3 395.503 3.585 20 0 GHADHM Cc1sc(NC(=O)N(CCN(C)C)Cc2cccs2)c(C(=O)[O-])c1C ZINC000833035818 601706301 /nfs/dbraw/zinc/70/63/01/601706301.db2.gz DDGVTTJOFIBBFH-UHFFFAOYSA-N -1 3 381.523 3.720 20 0 GHADHM COc1cc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)ccc1C ZINC000826176456 607530685 /nfs/dbraw/zinc/53/06/85/607530685.db2.gz QFWLKHSUBMKEQC-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1cc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)ccc1C ZINC000826176456 607530688 /nfs/dbraw/zinc/53/06/88/607530688.db2.gz QFWLKHSUBMKEQC-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM C[C@@H](CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000827449484 601917875 /nfs/dbraw/zinc/91/78/75/601917875.db2.gz LDKBSZHUNVOEHP-SJCJKPOMSA-N -1 3 399.318 3.842 20 0 GHADHM CCc1ncsc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825755104 607537308 /nfs/dbraw/zinc/53/73/08/607537308.db2.gz MZFJDPUEMJVVBD-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncsc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825755104 607537310 /nfs/dbraw/zinc/53/73/10/607537310.db2.gz MZFJDPUEMJVVBD-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](CNc2ccccn2)C1 ZINC000833170062 602038984 /nfs/dbraw/zinc/03/89/84/602038984.db2.gz FDHONOPOFYZQQN-SJKOYZFVSA-N -1 3 380.275 3.948 20 0 GHADHM COc1ccc(CNc2ccccc2N2CCCCCC2)cc1-c1nnn[n-]1 ZINC000826203735 607547199 /nfs/dbraw/zinc/54/71/99/607547199.db2.gz DIKCSJSXPNZHDQ-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM COc1ccc(CNc2ccccc2N2CCCCCC2)cc1-c1nn[n-]n1 ZINC000826203735 607547202 /nfs/dbraw/zinc/54/72/02/607547202.db2.gz DIKCSJSXPNZHDQ-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2ccc(F)cc2CSC)C(=O)[O-])c1 ZINC000832056535 602176329 /nfs/dbraw/zinc/17/63/29/602176329.db2.gz FRQXFNYNHMGUDX-GOSISDBHSA-N -1 3 379.453 3.621 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2cccc(Br)c2)no1 ZINC000828804842 602212058 /nfs/dbraw/zinc/21/20/58/602212058.db2.gz UJVFZCKIUNPOQA-UHFFFAOYSA-N -1 3 382.258 3.622 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000832925780 602330855 /nfs/dbraw/zinc/33/08/55/602330855.db2.gz CYEBOYBXBOKHOC-FQEVSTJZSA-N -1 3 381.476 3.847 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN(CC(=O)[O-])C3CCCC3)cc2)cc1 ZINC000581678320 602331985 /nfs/dbraw/zinc/33/19/85/602331985.db2.gz JLJXPTCCOMJBHS-UHFFFAOYSA-N -1 3 387.501 3.657 20 0 GHADHM Cc1sc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000380453744 602364018 /nfs/dbraw/zinc/36/40/18/602364018.db2.gz NWJYJZBERXTVAE-MRXNPFEDSA-N -1 3 387.505 3.801 20 0 GHADHM CN(Cc1ccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000830830517 602365740 /nfs/dbraw/zinc/36/57/40/602365740.db2.gz GJNJWJZTDNRXBF-FQEVSTJZSA-N -1 3 396.491 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Br)c1 ZINC000132811205 607570602 /nfs/dbraw/zinc/57/06/02/607570602.db2.gz YHSLWEDUANAABZ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Br)c1 ZINC000132811205 607570603 /nfs/dbraw/zinc/57/06/03/607570603.db2.gz YHSLWEDUANAABZ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM COc1ccc([C@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2)N2CCCC2)cc1 ZINC000739893732 602601626 /nfs/dbraw/zinc/60/16/26/602601626.db2.gz KWEYYKBYKAKXRG-IBGZPJMESA-N -1 3 398.463 3.744 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000740252705 602648856 /nfs/dbraw/zinc/64/88/56/602648856.db2.gz KVCVTGNHQFPJSK-UHFFFAOYSA-N -1 3 397.306 3.779 20 0 GHADHM O=C([O-])NC1CCC(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000740559861 603091076 /nfs/dbraw/zinc/09/10/76/603091076.db2.gz OSXSTAKVTABEGY-UHFFFAOYSA-N -1 3 393.285 3.508 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739610542 603176102 /nfs/dbraw/zinc/17/61/02/603176102.db2.gz VOFYHQWXFLDKEW-UHFFFAOYSA-N -1 3 393.443 3.783 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(Br)ccc21 ZINC000826245240 607666794 /nfs/dbraw/zinc/66/67/94/607666794.db2.gz RKRTYPXLICQWQO-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(Br)ccc21 ZINC000826245240 607666795 /nfs/dbraw/zinc/66/67/95/607666795.db2.gz RKRTYPXLICQWQO-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000826248791 607672011 /nfs/dbraw/zinc/67/20/11/607672011.db2.gz XHVLRTALRACSNZ-UHFFFAOYSA-N -1 3 389.381 3.557 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000826248791 607672013 /nfs/dbraw/zinc/67/20/13/607672013.db2.gz XHVLRTALRACSNZ-UHFFFAOYSA-N -1 3 389.381 3.557 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000831826713 604231999 /nfs/dbraw/zinc/23/19/99/604231999.db2.gz VAXMYXAEONUFOM-QGZVFWFLSA-N -1 3 386.414 3.593 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000153191339 607680665 /nfs/dbraw/zinc/68/06/65/607680665.db2.gz HNCVMDQRTYOZDB-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000153191339 607680667 /nfs/dbraw/zinc/68/06/67/607680667.db2.gz HNCVMDQRTYOZDB-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000826250084 607681001 /nfs/dbraw/zinc/68/10/01/607681001.db2.gz KDYFIIAPUXFUMF-UHFFFAOYSA-N -1 3 380.427 3.557 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000826250084 607681002 /nfs/dbraw/zinc/68/10/02/607681002.db2.gz KDYFIIAPUXFUMF-UHFFFAOYSA-N -1 3 380.427 3.557 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000826245847 607682887 /nfs/dbraw/zinc/68/28/87/607682887.db2.gz JSCVSDBQENLLEH-UHFFFAOYSA-N -1 3 389.381 3.859 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000826245847 607682889 /nfs/dbraw/zinc/68/28/89/607682889.db2.gz JSCVSDBQENLLEH-UHFFFAOYSA-N -1 3 389.381 3.859 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826298174 607683709 /nfs/dbraw/zinc/68/37/09/607683709.db2.gz HHCLZQNEABCYIF-UHFFFAOYSA-N -1 3 398.470 3.721 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826298174 607683711 /nfs/dbraw/zinc/68/37/11/607683711.db2.gz HHCLZQNEABCYIF-UHFFFAOYSA-N -1 3 398.470 3.721 20 0 GHADHM Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000829858850 604375988 /nfs/dbraw/zinc/37/59/88/604375988.db2.gz FUVJDYQYJBUSNV-RJPYNODJSA-N -1 3 389.887 3.553 20 0 GHADHM Cc1cc([C@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)oc1C(=O)[O-] ZINC000832870091 604384245 /nfs/dbraw/zinc/38/42/45/604384245.db2.gz AWVSRSPDLQKYNX-ZDUSSCGKSA-N -1 3 382.420 3.672 20 0 GHADHM CC[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082730 607693280 /nfs/dbraw/zinc/69/32/80/607693280.db2.gz VBIGAVPXIFXEEB-LSDHHAIUSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082730 607693281 /nfs/dbraw/zinc/69/32/81/607693281.db2.gz VBIGAVPXIFXEEB-LSDHHAIUSA-N -1 3 379.464 3.636 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000833544689 604520676 /nfs/dbraw/zinc/52/06/76/604520676.db2.gz ZEJHNIDDZIIPJM-BEFAXECRSA-N -1 3 383.444 3.647 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824770504 607705206 /nfs/dbraw/zinc/70/52/06/607705206.db2.gz LHSITXIBSUHJJE-JTQLQIEISA-N -1 3 390.369 3.579 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824770504 607705209 /nfs/dbraw/zinc/70/52/09/607705209.db2.gz LHSITXIBSUHJJE-JTQLQIEISA-N -1 3 390.369 3.579 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000833679230 604646970 /nfs/dbraw/zinc/64/69/70/604646970.db2.gz WXGWWASYJHPBHH-DZGCQCFKSA-N -1 3 380.485 3.665 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826316102 607711193 /nfs/dbraw/zinc/71/11/93/607711193.db2.gz CVHHCUJTVWROKU-KBPBESRZSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826316102 607711195 /nfs/dbraw/zinc/71/11/95/607711195.db2.gz CVHHCUJTVWROKU-KBPBESRZSA-N -1 3 383.477 3.766 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000833416802 604942583 /nfs/dbraw/zinc/94/25/83/604942583.db2.gz FGTWEOSGAFMFLD-RHSMWYFYSA-N -1 3 378.900 3.658 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000833411353 605184599 /nfs/dbraw/zinc/18/45/99/605184599.db2.gz AQENDIPPBJRKQF-KRWDZBQOSA-N -1 3 378.831 3.859 20 0 GHADHM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457885 607740907 /nfs/dbraw/zinc/74/09/07/607740907.db2.gz UVCJHUUZVCGQGU-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457885 607740908 /nfs/dbraw/zinc/74/09/08/607740908.db2.gz UVCJHUUZVCGQGU-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C([O-])N1CCC(CCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000834078854 605542068 /nfs/dbraw/zinc/54/20/68/605542068.db2.gz PQONLDILDNEDOY-RYUDHWBXSA-N -1 3 376.341 3.829 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826226374 607762164 /nfs/dbraw/zinc/76/21/64/607762164.db2.gz YIQQSFHKRDTBRS-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826226374 607762165 /nfs/dbraw/zinc/76/21/65/607762165.db2.gz YIQQSFHKRDTBRS-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000834261307 605595227 /nfs/dbraw/zinc/59/52/27/605595227.db2.gz BSEDGEGYGOCJOA-FQEVSTJZSA-N -1 3 379.460 3.790 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1CCc2ccccc21 ZINC000826459450 607769946 /nfs/dbraw/zinc/76/99/46/607769946.db2.gz KFSBXIJUGSHHSB-INIZCTEOSA-N -1 3 388.456 3.659 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1CCc2ccccc21 ZINC000826459450 607769947 /nfs/dbraw/zinc/76/99/47/607769947.db2.gz KFSBXIJUGSHHSB-INIZCTEOSA-N -1 3 388.456 3.659 20 0 GHADHM Cc1nccn1-c1ccc(CN[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)cc1F ZINC000833917606 605793606 /nfs/dbraw/zinc/79/36/06/605793606.db2.gz HGYZWBJYRSVDCY-MOPGFXCFSA-N -1 3 380.423 3.863 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)CC1 ZINC000833436998 605843011 /nfs/dbraw/zinc/84/30/11/605843011.db2.gz OFJBSJSHDAJPHO-UHFFFAOYSA-N -1 3 392.471 3.747 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000820321182 606029135 /nfs/dbraw/zinc/02/91/35/606029135.db2.gz CFYAMWCSGPHANA-OFAQMXQXSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccncc2)cc1 ZINC000820321182 606029139 /nfs/dbraw/zinc/02/91/39/606029139.db2.gz CFYAMWCSGPHANA-OFAQMXQXSA-N -1 3 396.454 3.819 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000823493979 606034934 /nfs/dbraw/zinc/03/49/34/606034934.db2.gz YSOVOCJCJIBPEW-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000823493979 606034938 /nfs/dbraw/zinc/03/49/38/606034938.db2.gz YSOVOCJCJIBPEW-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM Cc1nnc(NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000822515812 606042320 /nfs/dbraw/zinc/04/23/20/606042320.db2.gz PWMXJKYGHXCNKN-SNVBAGLBSA-N -1 3 391.401 3.898 20 0 GHADHM Cc1nnc(NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000822515812 606042326 /nfs/dbraw/zinc/04/23/26/606042326.db2.gz PWMXJKYGHXCNKN-SNVBAGLBSA-N -1 3 391.401 3.898 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1cccnc1 ZINC000819877052 606051284 /nfs/dbraw/zinc/05/12/84/606051284.db2.gz NSMUKXCUTOTIGO-GFCCVEGCSA-N -1 3 382.493 3.724 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1cccnc1 ZINC000819877052 606051290 /nfs/dbraw/zinc/05/12/90/606051290.db2.gz NSMUKXCUTOTIGO-GFCCVEGCSA-N -1 3 382.493 3.724 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000819857580 606051486 /nfs/dbraw/zinc/05/14/86/606051486.db2.gz SPYRDLLQBIEHDY-MRXNPFEDSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000819857580 606051492 /nfs/dbraw/zinc/05/14/92/606051492.db2.gz SPYRDLLQBIEHDY-MRXNPFEDSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000819857576 606051806 /nfs/dbraw/zinc/05/18/06/606051806.db2.gz SPYRDLLQBIEHDY-INIZCTEOSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000819857576 606051812 /nfs/dbraw/zinc/05/18/12/606051812.db2.gz SPYRDLLQBIEHDY-INIZCTEOSA-N -1 3 384.443 3.599 20 0 GHADHM Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233834 606108143 /nfs/dbraw/zinc/10/81/43/606108143.db2.gz WFMGRHYOWIULPO-MRXNPFEDSA-N -1 3 396.520 3.629 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821134452 606125944 /nfs/dbraw/zinc/12/59/44/606125944.db2.gz VLWCEVNIDZHPDE-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821134452 606125945 /nfs/dbraw/zinc/12/59/45/606125945.db2.gz VLWCEVNIDZHPDE-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCN(C(=O)c1ccc(F)c(F)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160031 606127100 /nfs/dbraw/zinc/12/71/00/606127100.db2.gz GAQHORAXAWNKME-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1ccc(F)c(F)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160031 606127101 /nfs/dbraw/zinc/12/71/01/606127101.db2.gz GAQHORAXAWNKME-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM CN(Cc1ccc[nH]1)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821612189 606149844 /nfs/dbraw/zinc/14/98/44/606149844.db2.gz MGUVHZBIVLWHER-UHFFFAOYSA-N -1 3 390.472 3.618 20 0 GHADHM CN(Cc1ccc[nH]1)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821612189 606149845 /nfs/dbraw/zinc/14/98/45/606149845.db2.gz MGUVHZBIVLWHER-UHFFFAOYSA-N -1 3 390.472 3.618 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cccc2[nH]ccc21 ZINC000823356909 606151840 /nfs/dbraw/zinc/15/18/40/606151840.db2.gz RJEBUWVXGVBMNR-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccc2[nH]ccc21 ZINC000823356909 606151842 /nfs/dbraw/zinc/15/18/42/606151842.db2.gz RJEBUWVXGVBMNR-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822946606 606152946 /nfs/dbraw/zinc/15/29/46/606152946.db2.gz YXQFNDUIJQVORC-OWOJBTEDSA-N -1 3 389.337 3.649 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822946606 606152947 /nfs/dbraw/zinc/15/29/47/606152947.db2.gz YXQFNDUIJQVORC-OWOJBTEDSA-N -1 3 389.337 3.649 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000823689347 606174917 /nfs/dbraw/zinc/17/49/17/606174917.db2.gz FGXGHHAJZWFRQR-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000823689347 606174918 /nfs/dbraw/zinc/17/49/18/606174918.db2.gz FGXGHHAJZWFRQR-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H]1CSc2ccccc2N1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820813464 606189152 /nfs/dbraw/zinc/18/91/52/606189152.db2.gz HSZQJQFTKKCQAK-ZDUSSCGKSA-N -1 3 397.529 3.627 20 0 GHADHM C[C@H]1CSc2ccccc2N1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820813464 606189154 /nfs/dbraw/zinc/18/91/54/606189154.db2.gz HSZQJQFTKKCQAK-ZDUSSCGKSA-N -1 3 397.529 3.627 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819975811 606224201 /nfs/dbraw/zinc/22/42/01/606224201.db2.gz DKGRIIAFZNRZRP-QGZVFWFLSA-N -1 3 388.479 3.856 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819975811 606224203 /nfs/dbraw/zinc/22/42/03/606224203.db2.gz DKGRIIAFZNRZRP-QGZVFWFLSA-N -1 3 388.479 3.856 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)on1 ZINC000822200915 606236696 /nfs/dbraw/zinc/23/66/96/606236696.db2.gz INLVAVPLFQCNPO-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)on1 ZINC000822200915 606236699 /nfs/dbraw/zinc/23/66/99/606236699.db2.gz INLVAVPLFQCNPO-UHFFFAOYSA-N -1 3 393.428 3.671 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000822655460 606250707 /nfs/dbraw/zinc/25/07/07/606250707.db2.gz JZSAREDFHDIOOV-UHFFFAOYSA-N -1 3 376.445 3.609 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000822655460 606250709 /nfs/dbraw/zinc/25/07/09/606250709.db2.gz JZSAREDFHDIOOV-UHFFFAOYSA-N -1 3 376.445 3.609 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC)cc1Cl ZINC000821123400 606282052 /nfs/dbraw/zinc/28/20/52/606282052.db2.gz QIWNSILWWBOTNL-UHFFFAOYSA-N -1 3 386.843 3.603 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000820555017 606323498 /nfs/dbraw/zinc/32/34/98/606323498.db2.gz DVHNIQRBYSTPRW-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000820555017 606323500 /nfs/dbraw/zinc/32/35/00/606323500.db2.gz DVHNIQRBYSTPRW-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM O=c1cc(CSc2cccc(-c3nnn[n-]3)c2)c2cc3c(cc2o1)CCC3 ZINC000823665804 606325112 /nfs/dbraw/zinc/32/51/12/606325112.db2.gz XIKROTDLGMXCJW-UHFFFAOYSA-N -1 3 376.441 3.754 20 0 GHADHM O=c1cc(CSc2cccc(-c3nn[n-]n3)c2)c2cc3c(cc2o1)CCC3 ZINC000823665804 606325114 /nfs/dbraw/zinc/32/51/14/606325114.db2.gz XIKROTDLGMXCJW-UHFFFAOYSA-N -1 3 376.441 3.754 20 0 GHADHM C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820520128 606339503 /nfs/dbraw/zinc/33/95/03/606339503.db2.gz ZPQWFYXZTJYBFH-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820520128 606339505 /nfs/dbraw/zinc/33/95/05/606339505.db2.gz ZPQWFYXZTJYBFH-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822223853 606343529 /nfs/dbraw/zinc/34/35/29/606343529.db2.gz MLSLDAZZKZNKCZ-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822223853 606343531 /nfs/dbraw/zinc/34/35/31/606343531.db2.gz MLSLDAZZKZNKCZ-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497615 606344045 /nfs/dbraw/zinc/34/40/45/606344045.db2.gz TUFCZHVYDZOTES-AWEZNQCLSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497615 606344047 /nfs/dbraw/zinc/34/40/47/606344047.db2.gz TUFCZHVYDZOTES-AWEZNQCLSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506570 606347453 /nfs/dbraw/zinc/34/74/53/606347453.db2.gz BLUCDNYDUNLUNZ-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506570 606347454 /nfs/dbraw/zinc/34/74/54/606347454.db2.gz BLUCDNYDUNLUNZ-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H]1CCc1ccccc1 ZINC000823344087 606352146 /nfs/dbraw/zinc/35/21/46/606352146.db2.gz PXWNDCVPJLYGAN-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1CCc1ccccc1 ZINC000823344087 606352148 /nfs/dbraw/zinc/35/21/48/606352148.db2.gz PXWNDCVPJLYGAN-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823343910 606356173 /nfs/dbraw/zinc/35/61/73/606356173.db2.gz KKGMLFGDPLDCJQ-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823343910 606356175 /nfs/dbraw/zinc/35/61/75/606356175.db2.gz KKGMLFGDPLDCJQ-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(/C=C/C1CCOCC1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822922541 606361604 /nfs/dbraw/zinc/36/16/04/606361604.db2.gz HFMPYUSJIMMNRD-BCTAIJSYSA-N -1 3 392.415 3.547 20 0 GHADHM O=C(/C=C/C1CCOCC1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822922541 606361607 /nfs/dbraw/zinc/36/16/07/606361607.db2.gz HFMPYUSJIMMNRD-BCTAIJSYSA-N -1 3 392.415 3.547 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1Cl ZINC000823453908 606361992 /nfs/dbraw/zinc/36/19/92/606361992.db2.gz FFHGNNLSBUOYEZ-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225500 606396285 /nfs/dbraw/zinc/39/62/85/606396285.db2.gz JYEHLXGBRVEMPT-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225500 606396287 /nfs/dbraw/zinc/39/62/87/606396287.db2.gz JYEHLXGBRVEMPT-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573544 606412489 /nfs/dbraw/zinc/41/24/89/606412489.db2.gz UXEISEKHDSGMEE-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573544 606412491 /nfs/dbraw/zinc/41/24/91/606412491.db2.gz UXEISEKHDSGMEE-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820350267 606439600 /nfs/dbraw/zinc/43/96/00/606439600.db2.gz KBEOXLLHQVFAGY-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820350267 606439602 /nfs/dbraw/zinc/43/96/02/606439602.db2.gz KBEOXLLHQVFAGY-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM Fc1cccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1F ZINC000822786315 606447532 /nfs/dbraw/zinc/44/75/32/606447532.db2.gz JILZDNFJMFQPCG-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000822974709 606450140 /nfs/dbraw/zinc/45/01/40/606450140.db2.gz ZSNGWRMEIWBYAR-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000822974709 606450142 /nfs/dbraw/zinc/45/01/42/606450142.db2.gz ZSNGWRMEIWBYAR-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM CCC[C@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821034067 606459969 /nfs/dbraw/zinc/45/99/69/606459969.db2.gz IJBFKMYOWNCMMA-XJKSGUPXSA-N -1 3 379.489 3.936 20 0 GHADHM CCC[C@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821034067 606459972 /nfs/dbraw/zinc/45/99/72/606459972.db2.gz IJBFKMYOWNCMMA-XJKSGUPXSA-N -1 3 379.489 3.936 20 0 GHADHM O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392338 606467705 /nfs/dbraw/zinc/46/77/05/606467705.db2.gz ODBLDMAHHLQPCP-INIZCTEOSA-N -1 3 387.440 3.941 20 0 GHADHM O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392338 606467706 /nfs/dbraw/zinc/46/77/06/606467706.db2.gz ODBLDMAHHLQPCP-INIZCTEOSA-N -1 3 387.440 3.941 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000736125433 606469323 /nfs/dbraw/zinc/46/93/23/606469323.db2.gz KAMGBZDFTSBPIM-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000736125433 606469327 /nfs/dbraw/zinc/46/93/27/606469327.db2.gz KAMGBZDFTSBPIM-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)c(C)c1 ZINC000822214193 606482882 /nfs/dbraw/zinc/48/28/82/606482882.db2.gz TXIVNSZBGGPNJV-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)c(C)c1 ZINC000822214193 606482883 /nfs/dbraw/zinc/48/28/83/606482883.db2.gz TXIVNSZBGGPNJV-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1Oc1cccnc1 ZINC000822208335 606497728 /nfs/dbraw/zinc/49/77/28/606497728.db2.gz NIABEDUQRTZMDI-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1Oc1cccnc1 ZINC000822208335 606497729 /nfs/dbraw/zinc/49/77/29/606497729.db2.gz NIABEDUQRTZMDI-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000821099883 606524738 /nfs/dbraw/zinc/52/47/38/606524738.db2.gz QIJUXTDEILUVQL-SQFISAMPSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000821099883 606524740 /nfs/dbraw/zinc/52/47/40/606524740.db2.gz QIJUXTDEILUVQL-SQFISAMPSA-N -1 3 379.439 3.848 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)s2)cc1 ZINC000821727309 606527582 /nfs/dbraw/zinc/52/75/82/606527582.db2.gz HFTFVAYMNAWQTD-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)s2)cc1 ZINC000821727309 606527584 /nfs/dbraw/zinc/52/75/84/606527584.db2.gz HFTFVAYMNAWQTD-UHFFFAOYSA-N -1 3 397.485 3.595 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000820717307 606533451 /nfs/dbraw/zinc/53/34/51/606533451.db2.gz PHAWRUMCXBVKKT-UONOGXRCSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000820717307 606533453 /nfs/dbraw/zinc/53/34/53/606533453.db2.gz PHAWRUMCXBVKKT-UONOGXRCSA-N -1 3 379.489 3.888 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000823092673 606535012 /nfs/dbraw/zinc/53/50/12/606535012.db2.gz HOANKIXMIJWOEK-UHFFFAOYSA-N -1 3 393.466 3.567 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000823092673 606535014 /nfs/dbraw/zinc/53/50/14/606535014.db2.gz HOANKIXMIJWOEK-UHFFFAOYSA-N -1 3 393.466 3.567 20 0 GHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820819457 606547305 /nfs/dbraw/zinc/54/73/05/606547305.db2.gz ITOFNGCWCGVISZ-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820819457 606547307 /nfs/dbraw/zinc/54/73/07/606547307.db2.gz ITOFNGCWCGVISZ-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1(C)CC1 ZINC000820308918 606552170 /nfs/dbraw/zinc/55/21/70/606552170.db2.gz ZNZYWYLIGZQCSI-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823087175 606552246 /nfs/dbraw/zinc/55/22/46/606552246.db2.gz JBAWGJYNVWGYSC-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823087175 606552248 /nfs/dbraw/zinc/55/22/48/606552248.db2.gz JBAWGJYNVWGYSC-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822034372 606573182 /nfs/dbraw/zinc/57/31/82/606573182.db2.gz AGIOXTMNVALJFF-UHFFFAOYSA-N -1 3 381.505 3.998 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822034372 606573184 /nfs/dbraw/zinc/57/31/84/606573184.db2.gz AGIOXTMNVALJFF-UHFFFAOYSA-N -1 3 381.505 3.998 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820913044 606574395 /nfs/dbraw/zinc/57/43/95/606574395.db2.gz CDMCFWGEACSZLA-HXUWFJFHSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820913044 606574398 /nfs/dbraw/zinc/57/43/98/606574398.db2.gz CDMCFWGEACSZLA-HXUWFJFHSA-N -1 3 377.492 3.587 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233362 606576440 /nfs/dbraw/zinc/57/64/40/606576440.db2.gz NDXFUHGZAQUBHG-UXHICEINSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233362 606576442 /nfs/dbraw/zinc/57/64/42/606576442.db2.gz NDXFUHGZAQUBHG-UXHICEINSA-N -1 3 375.476 3.512 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000820543023 606583910 /nfs/dbraw/zinc/58/39/10/606583910.db2.gz SVFWDWGVAXJKAE-ZDUSSCGKSA-N -1 3 393.447 3.502 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000820543023 606583912 /nfs/dbraw/zinc/58/39/12/606583912.db2.gz SVFWDWGVAXJKAE-ZDUSSCGKSA-N -1 3 393.447 3.502 20 0 GHADHM CC(=O)Nc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000819817685 606588600 /nfs/dbraw/zinc/58/86/00/606588600.db2.gz JZJAAXVIWOWULV-UHFFFAOYSA-N -1 3 391.403 3.719 20 0 GHADHM CC(=O)Nc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000819817685 606588602 /nfs/dbraw/zinc/58/86/02/606588602.db2.gz JZJAAXVIWOWULV-UHFFFAOYSA-N -1 3 391.403 3.719 20 0 GHADHM CC(C)(C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000819971062 606597651 /nfs/dbraw/zinc/59/76/51/606597651.db2.gz COMBBYNZVHEGSA-UHFFFAOYSA-N -1 3 396.423 3.582 20 0 GHADHM CC(C)(C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000819971062 606597652 /nfs/dbraw/zinc/59/76/52/606597652.db2.gz COMBBYNZVHEGSA-UHFFFAOYSA-N -1 3 396.423 3.582 20 0 GHADHM O=C1CCCc2c(OCc3ccc(-c4nnn[n-]4)cc3OC(F)F)cccc21 ZINC000823531102 606597908 /nfs/dbraw/zinc/59/79/08/606597908.db2.gz YROSEMBSVJADQA-UHFFFAOYSA-N -1 3 386.358 3.566 20 0 GHADHM O=C1CCCc2c(OCc3ccc(-c4nn[n-]n4)cc3OC(F)F)cccc21 ZINC000823531102 606597910 /nfs/dbraw/zinc/59/79/10/606597910.db2.gz YROSEMBSVJADQA-UHFFFAOYSA-N -1 3 386.358 3.566 20 0 GHADHM CC(C)n1nnnc1CSCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000820219381 606598207 /nfs/dbraw/zinc/59/82/07/606598207.db2.gz FTDFNJHSCVYEOX-UHFFFAOYSA-N -1 3 392.492 3.535 20 0 GHADHM CC(C)n1nnnc1CSCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000820219381 606598208 /nfs/dbraw/zinc/59/82/08/606598208.db2.gz FTDFNJHSCVYEOX-UHFFFAOYSA-N -1 3 392.492 3.535 20 0 GHADHM CC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819764437 606601576 /nfs/dbraw/zinc/60/15/76/606601576.db2.gz GVZZYVOCAIKAEG-RAXLEYEMSA-N -1 3 399.401 3.530 20 0 GHADHM CC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819764437 606601577 /nfs/dbraw/zinc/60/15/77/606601577.db2.gz GVZZYVOCAIKAEG-RAXLEYEMSA-N -1 3 399.401 3.530 20 0 GHADHM C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2ccccc2c1 ZINC000819867985 606603172 /nfs/dbraw/zinc/60/31/72/606603172.db2.gz WNWBYPFAVWNPCO-ZDUSSCGKSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2ccccc2c1 ZINC000819867985 606603174 /nfs/dbraw/zinc/60/31/74/606603174.db2.gz WNWBYPFAVWNPCO-ZDUSSCGKSA-N -1 3 375.407 3.579 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822983874 606603361 /nfs/dbraw/zinc/60/33/61/606603361.db2.gz VUHGTMOZUHVPCL-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822983874 606603362 /nfs/dbraw/zinc/60/33/62/606603362.db2.gz VUHGTMOZUHVPCL-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccoc1)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000822983229 606603367 /nfs/dbraw/zinc/60/33/67/606603367.db2.gz NJZYBOAOIKMVQT-UHFFFAOYSA-N -1 3 391.456 3.858 20 0 GHADHM O=C(CCc1ccoc1)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000822983229 606603368 /nfs/dbraw/zinc/60/33/68/606603368.db2.gz NJZYBOAOIKMVQT-UHFFFAOYSA-N -1 3 391.456 3.858 20 0 GHADHM Clc1ccc(O[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)cc1Cl ZINC000822578641 606610255 /nfs/dbraw/zinc/61/02/55/606610255.db2.gz MLHGOLDRPWFSMJ-LBPRGKRZSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccc(O[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)cc1Cl ZINC000822578641 606610257 /nfs/dbraw/zinc/61/02/57/606610257.db2.gz MLHGOLDRPWFSMJ-LBPRGKRZSA-N -1 3 391.262 3.616 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CC(C)C1 ZINC000822205834 606620913 /nfs/dbraw/zinc/62/09/13/606620913.db2.gz JXMJNJCAGOGBMY-UHFFFAOYSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CC(C)C1 ZINC000822205834 606620915 /nfs/dbraw/zinc/62/09/15/606620915.db2.gz JXMJNJCAGOGBMY-UHFFFAOYSA-N -1 3 379.439 3.894 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000821778189 606626326 /nfs/dbraw/zinc/62/63/26/606626326.db2.gz WQQANARSUSVVFP-HNNXBMFYSA-N -1 3 391.475 3.560 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000821778189 606626328 /nfs/dbraw/zinc/62/63/28/606626328.db2.gz WQQANARSUSVVFP-HNNXBMFYSA-N -1 3 391.475 3.560 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000821100201 606626639 /nfs/dbraw/zinc/62/66/39/606626639.db2.gz VWRFJAQYKXVRJG-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000821100201 606626641 /nfs/dbraw/zinc/62/66/41/606626641.db2.gz VWRFJAQYKXVRJG-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649021 606628444 /nfs/dbraw/zinc/62/84/44/606628444.db2.gz HLWOBKGUPOVVKR-IJLUTSLNSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000820649021 606628446 /nfs/dbraw/zinc/62/84/46/606628446.db2.gz HLWOBKGUPOVVKR-IJLUTSLNSA-N -1 3 379.917 3.505 20 0 GHADHM O=Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000823551049 606659921 /nfs/dbraw/zinc/65/99/21/606659921.db2.gz CVOGGUDYWOGHKX-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM O=Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000823551049 606659922 /nfs/dbraw/zinc/65/99/22/606659922.db2.gz CVOGGUDYWOGHKX-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000820385442 606667740 /nfs/dbraw/zinc/66/77/40/606667740.db2.gz SCIGWGFJJOWCON-LLVKDONJSA-N -1 3 385.418 3.933 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000820385442 606667741 /nfs/dbraw/zinc/66/77/41/606667741.db2.gz SCIGWGFJJOWCON-LLVKDONJSA-N -1 3 385.418 3.933 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820220353 606669330 /nfs/dbraw/zinc/66/93/30/606669330.db2.gz RRUOLIUUKOFNGX-LBPRGKRZSA-N -1 3 383.402 3.586 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820220353 606669331 /nfs/dbraw/zinc/66/93/31/606669331.db2.gz RRUOLIUUKOFNGX-LBPRGKRZSA-N -1 3 383.402 3.586 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821134207 606673614 /nfs/dbraw/zinc/67/36/14/606673614.db2.gz OAFZNESPEPAZCQ-UHFFFAOYSA-N -1 3 393.781 3.839 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821134207 606673615 /nfs/dbraw/zinc/67/36/15/606673615.db2.gz OAFZNESPEPAZCQ-UHFFFAOYSA-N -1 3 393.781 3.839 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000822940898 606674025 /nfs/dbraw/zinc/67/40/25/606674025.db2.gz IZYPGZFTSJUMNH-ZDUSSCGKSA-N -1 3 395.488 3.592 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000822940898 606674026 /nfs/dbraw/zinc/67/40/26/606674026.db2.gz IZYPGZFTSJUMNH-ZDUSSCGKSA-N -1 3 395.488 3.592 20 0 GHADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149619 606674777 /nfs/dbraw/zinc/67/47/77/606674777.db2.gz DGZLJUSPXMHBPE-RHSMWYFYSA-N -1 3 383.402 3.601 20 0 GHADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149619 606674778 /nfs/dbraw/zinc/67/47/78/606674778.db2.gz DGZLJUSPXMHBPE-RHSMWYFYSA-N -1 3 383.402 3.601 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821023111 606682329 /nfs/dbraw/zinc/68/23/29/606682329.db2.gz WRDMHOQCODHUDB-HNNXBMFYSA-N -1 3 385.418 3.676 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821023111 606682330 /nfs/dbraw/zinc/68/23/30/606682330.db2.gz WRDMHOQCODHUDB-HNNXBMFYSA-N -1 3 385.418 3.676 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821681337 606682492 /nfs/dbraw/zinc/68/24/92/606682492.db2.gz IARLUXDIGRZTDP-CQSZACIVSA-N -1 3 399.882 3.726 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821681337 606682493 /nfs/dbraw/zinc/68/24/93/606682493.db2.gz IARLUXDIGRZTDP-CQSZACIVSA-N -1 3 399.882 3.726 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000822929125 606694469 /nfs/dbraw/zinc/69/44/69/606694469.db2.gz PYMYKHZZIBSODR-KCNXZKISSA-N -1 3 399.429 3.925 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000822929125 606694470 /nfs/dbraw/zinc/69/44/70/606694470.db2.gz PYMYKHZZIBSODR-KCNXZKISSA-N -1 3 399.429 3.925 20 0 GHADHM CC(C)COc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000820102554 606698962 /nfs/dbraw/zinc/69/89/62/606698962.db2.gz AZHRLCRUPJXJGG-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)COc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000820102554 606698963 /nfs/dbraw/zinc/69/89/63/606698963.db2.gz AZHRLCRUPJXJGG-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823557894 606713224 /nfs/dbraw/zinc/71/32/24/606713224.db2.gz VBNVKKXWVKGKOZ-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823557894 606713225 /nfs/dbraw/zinc/71/32/25/606713225.db2.gz VBNVKKXWVKGKOZ-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM Cc1nc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)oc1-c1ccc(Cl)cc1 ZINC000822444268 606722087 /nfs/dbraw/zinc/72/20/87/606722087.db2.gz JOQWIVNCEQMUHB-UHFFFAOYSA-N -1 3 396.842 3.502 20 0 GHADHM Cc1nc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)oc1-c1ccc(Cl)cc1 ZINC000822444268 606722089 /nfs/dbraw/zinc/72/20/89/606722089.db2.gz JOQWIVNCEQMUHB-UHFFFAOYSA-N -1 3 396.842 3.502 20 0 GHADHM CC(C)c1cccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820196735 606737462 /nfs/dbraw/zinc/73/74/62/606737462.db2.gz BGICOIPRDYFFQK-UHFFFAOYSA-N -1 3 395.463 3.678 20 0 GHADHM CC(C)c1cccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820196735 606737464 /nfs/dbraw/zinc/73/74/64/606737464.db2.gz BGICOIPRDYFFQK-UHFFFAOYSA-N -1 3 395.463 3.678 20 0 GHADHM O=C(OCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823421665 606747140 /nfs/dbraw/zinc/74/71/40/606747140.db2.gz GCMLFDYKCCTEKU-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823421665 606747141 /nfs/dbraw/zinc/74/71/41/606747141.db2.gz GCMLFDYKCCTEKU-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1nc(-c2ccccc2)cs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440176 606748645 /nfs/dbraw/zinc/74/86/45/606748645.db2.gz GBDCDKDKZOLQRG-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1nc(-c2ccccc2)cs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440176 606748646 /nfs/dbraw/zinc/74/86/46/606748646.db2.gz GBDCDKDKZOLQRG-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(C[C@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822941175 606754154 /nfs/dbraw/zinc/75/41/54/606754154.db2.gz SHDWSYXRGDLQCG-QGZVFWFLSA-N -1 3 378.432 3.536 20 0 GHADHM O=C(C[C@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822941175 606754156 /nfs/dbraw/zinc/75/41/56/606754156.db2.gz SHDWSYXRGDLQCG-QGZVFWFLSA-N -1 3 378.432 3.536 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823350377 606772970 /nfs/dbraw/zinc/77/29/70/606772970.db2.gz KZAUREJFSPIHHS-KBXCAEBGSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823350377 606772971 /nfs/dbraw/zinc/77/29/71/606772971.db2.gz KZAUREJFSPIHHS-KBXCAEBGSA-N -1 3 376.420 3.675 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)O1 ZINC000820972982 606787402 /nfs/dbraw/zinc/78/74/02/606787402.db2.gz SNBNYEPDUDWVJJ-BEFAXECRSA-N -1 3 393.447 3.864 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)O1 ZINC000820972982 606787404 /nfs/dbraw/zinc/78/74/04/606787404.db2.gz SNBNYEPDUDWVJJ-BEFAXECRSA-N -1 3 393.447 3.864 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(C)cc1Cl ZINC000821104755 606787848 /nfs/dbraw/zinc/78/78/48/606787848.db2.gz PFAOONUEXRSPAX-UHFFFAOYSA-N -1 3 383.883 3.810 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(C)cc1Cl ZINC000821104755 606787850 /nfs/dbraw/zinc/78/78/50/606787850.db2.gz PFAOONUEXRSPAX-UHFFFAOYSA-N -1 3 383.883 3.810 20 0 GHADHM CC(C)OC(=O)O[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000820142302 606793320 /nfs/dbraw/zinc/79/33/20/606793320.db2.gz JWZMMGCKILCEKU-GFCCVEGCSA-N -1 3 385.449 3.928 20 0 GHADHM CC(C)OC(=O)O[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000820142302 606793322 /nfs/dbraw/zinc/79/33/22/606793322.db2.gz JWZMMGCKILCEKU-GFCCVEGCSA-N -1 3 385.449 3.928 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000822231019 606807685 /nfs/dbraw/zinc/80/76/85/606807685.db2.gz XTVWASGPNIEOSH-VQIMIIECSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000822231019 606807686 /nfs/dbraw/zinc/80/76/86/606807686.db2.gz XTVWASGPNIEOSH-VQIMIIECSA-N -1 3 391.475 3.615 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820428333 606821566 /nfs/dbraw/zinc/82/15/66/606821566.db2.gz WQTOWOCSZMMNBE-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820428333 606821567 /nfs/dbraw/zinc/82/15/67/606821567.db2.gz WQTOWOCSZMMNBE-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820972668 606840420 /nfs/dbraw/zinc/84/04/20/606840420.db2.gz QLOYFEASPLWPOG-KBXCAEBGSA-N -1 3 380.404 3.522 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820972668 606840421 /nfs/dbraw/zinc/84/04/21/606840421.db2.gz QLOYFEASPLWPOG-KBXCAEBGSA-N -1 3 380.404 3.522 20 0 GHADHM CCCCc1noc([C@H](C)SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821082970 606840645 /nfs/dbraw/zinc/84/06/45/606840645.db2.gz QQCUORHDEJYYNY-ZDUSSCGKSA-N -1 3 388.497 3.856 20 0 GHADHM CCCCc1noc([C@H](C)SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821082970 606840646 /nfs/dbraw/zinc/84/06/46/606840646.db2.gz QQCUORHDEJYYNY-ZDUSSCGKSA-N -1 3 388.497 3.856 20 0 GHADHM Cc1ccccc1NC(=O)CCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822361428 606843080 /nfs/dbraw/zinc/84/30/80/606843080.db2.gz APZXOBXMGDBWPB-UHFFFAOYSA-N -1 3 397.504 3.706 20 0 GHADHM Cc1ccccc1NC(=O)CCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822361428 606843081 /nfs/dbraw/zinc/84/30/81/606843081.db2.gz APZXOBXMGDBWPB-UHFFFAOYSA-N -1 3 397.504 3.706 20 0 GHADHM CCCCCc1nc2ccccc2n1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821062297 606844501 /nfs/dbraw/zinc/84/45/01/606844501.db2.gz WJOSGIYFVYPIFQ-LJQANCHMSA-N -1 3 376.464 3.683 20 0 GHADHM CCCCCc1nc2ccccc2n1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821062297 606844502 /nfs/dbraw/zinc/84/45/02/606844502.db2.gz WJOSGIYFVYPIFQ-LJQANCHMSA-N -1 3 376.464 3.683 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NCc1ccc(Cl)cc1 ZINC000823066028 606850318 /nfs/dbraw/zinc/85/03/18/606850318.db2.gz JGOALRMOXFCXOR-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NCc1ccc(Cl)cc1 ZINC000823066028 606850319 /nfs/dbraw/zinc/85/03/19/606850319.db2.gz JGOALRMOXFCXOR-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)sn1 ZINC000822209383 606850381 /nfs/dbraw/zinc/85/03/81/606850381.db2.gz GPDJIMFSKRRVDY-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)sn1 ZINC000822209383 606850383 /nfs/dbraw/zinc/85/03/83/606850383.db2.gz GPDJIMFSKRRVDY-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1cccc2c(=O)[nH]c(CSc3ccc(-c4nnn[n-]4)cc3Cl)nc12 ZINC000822331329 606851525 /nfs/dbraw/zinc/85/15/25/606851525.db2.gz DQPWJBXIHIYHIA-UHFFFAOYSA-N -1 3 384.852 3.770 20 0 GHADHM Cc1cccc2c(=O)[nH]c(CSc3ccc(-c4nn[n-]n4)cc3Cl)nc12 ZINC000822331329 606851527 /nfs/dbraw/zinc/85/15/27/606851527.db2.gz DQPWJBXIHIYHIA-UHFFFAOYSA-N -1 3 384.852 3.770 20 0 GHADHM C[C@@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358905 606863684 /nfs/dbraw/zinc/86/36/84/606863684.db2.gz QERSBPVUXGZHON-MRXNPFEDSA-N -1 3 390.491 3.640 20 0 GHADHM C[C@@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358905 606863685 /nfs/dbraw/zinc/86/36/85/606863685.db2.gz QERSBPVUXGZHON-MRXNPFEDSA-N -1 3 390.491 3.640 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821449902 606869776 /nfs/dbraw/zinc/86/97/76/606869776.db2.gz YAWFXEPIWKHTMS-ZIAGYGMSSA-N -1 3 391.545 3.561 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821449902 606869777 /nfs/dbraw/zinc/86/97/77/606869777.db2.gz YAWFXEPIWKHTMS-ZIAGYGMSSA-N -1 3 391.545 3.561 20 0 GHADHM CC(C)(C)c1cnc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)o1 ZINC000819965289 606895213 /nfs/dbraw/zinc/89/52/13/606895213.db2.gz ADJOTEVRNGNXQH-UHFFFAOYSA-N -1 3 395.341 3.528 20 0 GHADHM CC(C)(C)c1cnc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)o1 ZINC000819965289 606895214 /nfs/dbraw/zinc/89/52/14/606895214.db2.gz ADJOTEVRNGNXQH-UHFFFAOYSA-N -1 3 395.341 3.528 20 0 GHADHM Brc1ccc2ncnc(Sc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000819689077 606943932 /nfs/dbraw/zinc/94/39/32/606943932.db2.gz UAZPYWHXQKIAKJ-UHFFFAOYSA-N -1 3 385.250 3.724 20 0 GHADHM Brc1ccc2ncnc(Sc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000819689077 606943934 /nfs/dbraw/zinc/94/39/34/606943934.db2.gz UAZPYWHXQKIAKJ-UHFFFAOYSA-N -1 3 385.250 3.724 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823396256 606947094 /nfs/dbraw/zinc/94/70/94/606947094.db2.gz GYIGMFUTLVCGHC-JXMROGBWSA-N -1 3 395.202 3.515 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823396256 606947095 /nfs/dbraw/zinc/94/70/95/606947095.db2.gz GYIGMFUTLVCGHC-JXMROGBWSA-N -1 3 395.202 3.515 20 0 GHADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823400291 606947623 /nfs/dbraw/zinc/94/76/23/606947623.db2.gz ATAHLRFLLGNYML-KGLIPLIRSA-N -1 3 398.385 3.548 20 0 GHADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823400291 606947624 /nfs/dbraw/zinc/94/76/24/606947624.db2.gz ATAHLRFLLGNYML-KGLIPLIRSA-N -1 3 398.385 3.548 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349370 606953064 /nfs/dbraw/zinc/95/30/64/606953064.db2.gz HTFFNZKOXPWJFM-NWDGAFQWSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349370 606953066 /nfs/dbraw/zinc/95/30/66/606953066.db2.gz HTFFNZKOXPWJFM-NWDGAFQWSA-N -1 3 398.417 3.535 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822422649 606959567 /nfs/dbraw/zinc/95/95/67/606959567.db2.gz AZNPMLZMGYUHLA-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822422649 606959569 /nfs/dbraw/zinc/95/95/69/606959569.db2.gz AZNPMLZMGYUHLA-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM Fc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000822772009 606960262 /nfs/dbraw/zinc/96/02/62/606960262.db2.gz PBOUJGBBCLOLSJ-INIZCTEOSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000822772009 606960265 /nfs/dbraw/zinc/96/02/65/606960265.db2.gz PBOUJGBBCLOLSJ-INIZCTEOSA-N -1 3 380.452 3.953 20 0 GHADHM COc1ccc([C@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821777585 606961375 /nfs/dbraw/zinc/96/13/75/606961375.db2.gz IOJOOEPSXPRGBG-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM COc1ccc([C@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821777585 606961376 /nfs/dbraw/zinc/96/13/76/606961376.db2.gz IOJOOEPSXPRGBG-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM CC1(C)C[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820589837 606979605 /nfs/dbraw/zinc/97/96/05/606979605.db2.gz NNKYOUAXCARGPG-HNNXBMFYSA-N -1 3 398.467 3.595 20 0 GHADHM CC1(C)C[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820589837 606979607 /nfs/dbraw/zinc/97/96/07/606979607.db2.gz NNKYOUAXCARGPG-HNNXBMFYSA-N -1 3 398.467 3.595 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc3nsnc32)ccc1-c1nnn[n-]1 ZINC000822723924 606986735 /nfs/dbraw/zinc/98/67/35/606986735.db2.gz SSPOBKVKRUDJEG-UHFFFAOYSA-N -1 3 377.355 3.502 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc3nsnc32)ccc1-c1nn[n-]n1 ZINC000822723924 606986736 /nfs/dbraw/zinc/98/67/36/606986736.db2.gz SSPOBKVKRUDJEG-UHFFFAOYSA-N -1 3 377.355 3.502 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1[nH]c2ccc(F)cc2c1Cl ZINC000823421530 606995998 /nfs/dbraw/zinc/99/59/98/606995998.db2.gz BFUVKXQQYZPWBN-UHFFFAOYSA-N -1 3 389.749 3.637 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1[nH]c2ccc(F)cc2c1Cl ZINC000823421530 606996000 /nfs/dbraw/zinc/99/60/00/606996000.db2.gz BFUVKXQQYZPWBN-UHFFFAOYSA-N -1 3 389.749 3.637 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](Sc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822206097 607010341 /nfs/dbraw/zinc/01/03/41/607010341.db2.gz UNSICGONHVZTIK-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](Sc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822206097 607010343 /nfs/dbraw/zinc/01/03/43/607010343.db2.gz UNSICGONHVZTIK-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1Cl ZINC000823071057 607011114 /nfs/dbraw/zinc/01/11/14/607011114.db2.gz ZGVOCOGUDHGZIY-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1Cl ZINC000823071057 607011115 /nfs/dbraw/zinc/01/11/15/607011115.db2.gz ZGVOCOGUDHGZIY-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(SC(F)F)cc1 ZINC000823070618 607012707 /nfs/dbraw/zinc/01/27/07/607012707.db2.gz HNIPPFHOMIOECS-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(SC(F)F)cc1 ZINC000823070618 607012709 /nfs/dbraw/zinc/01/27/09/607012709.db2.gz HNIPPFHOMIOECS-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554994 607013486 /nfs/dbraw/zinc/01/34/86/607013486.db2.gz DERWULRIFQGYNK-CQSZACIVSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554994 607013488 /nfs/dbraw/zinc/01/34/88/607013488.db2.gz DERWULRIFQGYNK-CQSZACIVSA-N -1 3 394.504 3.586 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000820160442 607016688 /nfs/dbraw/zinc/01/66/88/607016688.db2.gz KBPQCWXUBUJHCV-UHFFFAOYSA-N -1 3 399.426 3.589 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000820160442 607016689 /nfs/dbraw/zinc/01/66/89/607016689.db2.gz KBPQCWXUBUJHCV-UHFFFAOYSA-N -1 3 399.426 3.589 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480383 607016884 /nfs/dbraw/zinc/01/68/84/607016884.db2.gz BSSFSBDJLPZHTE-KGLIPLIRSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480383 607016885 /nfs/dbraw/zinc/01/68/85/607016885.db2.gz BSSFSBDJLPZHTE-KGLIPLIRSA-N -1 3 381.505 3.787 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823498158 607021048 /nfs/dbraw/zinc/02/10/48/607021048.db2.gz FTLJENRHNWXRSA-UHFFFAOYSA-N -1 3 397.407 3.700 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823498158 607021050 /nfs/dbraw/zinc/02/10/50/607021050.db2.gz FTLJENRHNWXRSA-UHFFFAOYSA-N -1 3 397.407 3.700 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)o1 ZINC000821431279 607037600 /nfs/dbraw/zinc/03/76/00/607037600.db2.gz OIPNPBSNDXFFMB-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM CCOc1ccccc1-c1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)o1 ZINC000821431279 607037602 /nfs/dbraw/zinc/03/76/02/607037602.db2.gz OIPNPBSNDXFFMB-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM CN(Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821610066 607068212 /nfs/dbraw/zinc/06/82/12/607068212.db2.gz YUQCVADCGDBVTQ-UHFFFAOYSA-N -1 3 388.353 3.659 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913150 607093926 /nfs/dbraw/zinc/09/39/26/607093926.db2.gz CTFGMWGWQMTLPX-UZLBHIALSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913150 607093927 /nfs/dbraw/zinc/09/39/27/607093927.db2.gz CTFGMWGWQMTLPX-UZLBHIALSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820914608 607097131 /nfs/dbraw/zinc/09/71/31/607097131.db2.gz QASVZNGBFCGILQ-GOSISDBHSA-N -1 3 396.470 3.559 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820914608 607097132 /nfs/dbraw/zinc/09/71/32/607097132.db2.gz QASVZNGBFCGILQ-GOSISDBHSA-N -1 3 396.470 3.559 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000821304923 607102624 /nfs/dbraw/zinc/10/26/24/607102624.db2.gz UGSBMXLZGFNLDK-UHFFFAOYSA-N -1 3 395.854 3.614 20 0 GHADHM Clc1ccccc1-c1nnc(CNc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822563903 607125145 /nfs/dbraw/zinc/12/51/45/607125145.db2.gz POPKUONWNFUJBC-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820549532 607150323 /nfs/dbraw/zinc/15/03/23/607150323.db2.gz OPMFVEWBVZCHHS-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820549532 607150325 /nfs/dbraw/zinc/15/03/25/607150325.db2.gz OPMFVEWBVZCHHS-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2cccc(Br)c2)n1 ZINC000822427360 607161599 /nfs/dbraw/zinc/16/15/99/607161599.db2.gz KQWACLOLUKWZRB-VIFPVBQESA-N -1 3 391.298 3.889 20 0 GHADHM Clc1cc(Cl)cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822568415 607165032 /nfs/dbraw/zinc/16/50/32/607165032.db2.gz PVRLCCYZCOHOIM-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cc(Cl)cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822568415 607165033 /nfs/dbraw/zinc/16/50/33/607165033.db2.gz PVRLCCYZCOHOIM-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000822748072 607171425 /nfs/dbraw/zinc/17/14/25/607171425.db2.gz GDSCURDYXRJXDY-UHFFFAOYSA-N -1 3 379.273 3.745 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000822748072 607171426 /nfs/dbraw/zinc/17/14/26/607171426.db2.gz GDSCURDYXRJXDY-UHFFFAOYSA-N -1 3 379.273 3.745 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822283811 607177652 /nfs/dbraw/zinc/17/76/52/607177652.db2.gz DQWICDGMNJXCSJ-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822283811 607177653 /nfs/dbraw/zinc/17/76/53/607177653.db2.gz DQWICDGMNJXCSJ-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823350176 607197102 /nfs/dbraw/zinc/19/71/02/607197102.db2.gz BWQMSRVUFRPICE-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823350176 607197103 /nfs/dbraw/zinc/19/71/03/607197103.db2.gz BWQMSRVUFRPICE-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823318372 607199782 /nfs/dbraw/zinc/19/97/82/607199782.db2.gz DJLUFRHOGBFKKH-ZJUUUORDSA-N -1 3 388.781 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823318372 607199783 /nfs/dbraw/zinc/19/97/83/607199783.db2.gz DJLUFRHOGBFKKH-ZJUUUORDSA-N -1 3 388.781 3.763 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000820001291 607234895 /nfs/dbraw/zinc/23/48/95/607234895.db2.gz IQLMFYOJEAETRZ-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000820001291 607234896 /nfs/dbraw/zinc/23/48/96/607234896.db2.gz IQLMFYOJEAETRZ-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(=O)c1cccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000819832868 607237033 /nfs/dbraw/zinc/23/70/33/607237033.db2.gz BZDAEIQWRREIDV-UHFFFAOYSA-N -1 3 397.438 3.916 20 0 GHADHM CC(=O)c1cccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000819832868 607237034 /nfs/dbraw/zinc/23/70/34/607237034.db2.gz BZDAEIQWRREIDV-UHFFFAOYSA-N -1 3 397.438 3.916 20 0 GHADHM CN(C(=O)Cc1ccc(F)cc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570718 607238742 /nfs/dbraw/zinc/23/87/42/607238742.db2.gz IBCYDNZYXIGHNM-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)Cc1ccc(F)cc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570718 607238743 /nfs/dbraw/zinc/23/87/43/607238743.db2.gz IBCYDNZYXIGHNM-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823313880 607243266 /nfs/dbraw/zinc/24/32/66/607243266.db2.gz KXMIEOYMPYJNBW-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823313880 607243267 /nfs/dbraw/zinc/24/32/67/607243267.db2.gz KXMIEOYMPYJNBW-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CCC2)ccc1C ZINC000821712990 607243549 /nfs/dbraw/zinc/24/35/49/607243549.db2.gz PPONWGRHJCZUJI-UHFFFAOYSA-N -1 3 397.866 3.898 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CCC2)ccc1C ZINC000821712990 607243550 /nfs/dbraw/zinc/24/35/50/607243550.db2.gz PPONWGRHJCZUJI-UHFFFAOYSA-N -1 3 397.866 3.898 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000822214252 607246091 /nfs/dbraw/zinc/24/60/91/607246091.db2.gz WOXUSDVTKQFXNF-UHFFFAOYSA-N -1 3 393.378 3.507 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000822214252 607246092 /nfs/dbraw/zinc/24/60/92/607246092.db2.gz WOXUSDVTKQFXNF-UHFFFAOYSA-N -1 3 393.378 3.507 20 0 GHADHM CCOc1ccc(OCC)c(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821427266 607251994 /nfs/dbraw/zinc/25/19/94/607251994.db2.gz QHSVWRZUXGYRRX-UHFFFAOYSA-N -1 3 398.492 3.781 20 0 GHADHM CCOc1ccc(OCC)c(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821427266 607251995 /nfs/dbraw/zinc/25/19/95/607251995.db2.gz QHSVWRZUXGYRRX-UHFFFAOYSA-N -1 3 398.492 3.781 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000826249859 607774543 /nfs/dbraw/zinc/77/45/43/607774543.db2.gz YSSQWVLOAXCYTD-UHFFFAOYSA-N -1 3 399.458 3.881 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000826249859 607774544 /nfs/dbraw/zinc/77/45/44/607774544.db2.gz YSSQWVLOAXCYTD-UHFFFAOYSA-N -1 3 399.458 3.881 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000824918468 607782224 /nfs/dbraw/zinc/78/22/24/607782224.db2.gz PZELOFJLAYYMHT-LIRRHRJNSA-N -1 3 388.475 3.794 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000824918468 607782225 /nfs/dbraw/zinc/78/22/25/607782225.db2.gz PZELOFJLAYYMHT-LIRRHRJNSA-N -1 3 388.475 3.794 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824914952 607782345 /nfs/dbraw/zinc/78/23/45/607782345.db2.gz AOMHXTHAKNYIFU-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824914952 607782346 /nfs/dbraw/zinc/78/23/46/607782346.db2.gz AOMHXTHAKNYIFU-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000824918462 607782404 /nfs/dbraw/zinc/78/24/04/607782404.db2.gz PZELOFJLAYYMHT-KUHUBIRLSA-N -1 3 388.475 3.794 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000824918462 607782405 /nfs/dbraw/zinc/78/24/05/607782405.db2.gz PZELOFJLAYYMHT-KUHUBIRLSA-N -1 3 388.475 3.794 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826326137 607783438 /nfs/dbraw/zinc/78/34/38/607783438.db2.gz CDTACNPPUCNXDB-UHFFFAOYSA-N -1 3 388.884 3.806 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826326137 607783439 /nfs/dbraw/zinc/78/34/39/607783439.db2.gz CDTACNPPUCNXDB-UHFFFAOYSA-N -1 3 388.884 3.806 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1nc(C(F)(F)F)cs1 ZINC000826372486 607786022 /nfs/dbraw/zinc/78/60/22/607786022.db2.gz YQOOCABHUNRJGX-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1nc(C(F)(F)F)cs1 ZINC000826372486 607786021 /nfs/dbraw/zinc/78/60/21/607786021.db2.gz YQOOCABHUNRJGX-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824739136 607786039 /nfs/dbraw/zinc/78/60/39/607786039.db2.gz VMFTWTFYOFGPBB-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824739136 607786040 /nfs/dbraw/zinc/78/60/40/607786040.db2.gz VMFTWTFYOFGPBB-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c2)cs1 ZINC000826322569 607788681 /nfs/dbraw/zinc/78/86/81/607788681.db2.gz SAOGDUAGMLSIJN-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c2)cs1 ZINC000826322569 607788682 /nfs/dbraw/zinc/78/86/82/607788682.db2.gz SAOGDUAGMLSIJN-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826323219 607790186 /nfs/dbraw/zinc/79/01/86/607790186.db2.gz VKMCUOPXSHOHSL-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826323219 607790187 /nfs/dbraw/zinc/79/01/87/607790187.db2.gz VKMCUOPXSHOHSL-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1CC1(C)C ZINC000826272213 607793988 /nfs/dbraw/zinc/79/39/88/607793988.db2.gz YWEPXDVJQDFJNK-QGZVFWFLSA-N -1 3 377.448 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1CC1(C)C ZINC000826272213 607793989 /nfs/dbraw/zinc/79/39/89/607793989.db2.gz YWEPXDVJQDFJNK-QGZVFWFLSA-N -1 3 377.448 3.739 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1OC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379182 607799283 /nfs/dbraw/zinc/79/92/83/607799283.db2.gz BMWXDAQUGAUBQR-UHFFFAOYSA-N -1 3 385.855 3.974 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1OC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379182 607799284 /nfs/dbraw/zinc/79/92/84/607799284.db2.gz BMWXDAQUGAUBQR-UHFFFAOYSA-N -1 3 385.855 3.974 20 0 GHADHM O=C(NCCC1=CCCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826436504 607803618 /nfs/dbraw/zinc/80/36/18/607803618.db2.gz WBGXTVRGBBPKPL-UHFFFAOYSA-N -1 3 391.435 3.676 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCCC1 ZINC000824206191 607844310 /nfs/dbraw/zinc/84/43/10/607844310.db2.gz AYQBNCBYCPAYJF-HNNXBMFYSA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCCC1 ZINC000824206191 607844311 /nfs/dbraw/zinc/84/43/11/607844311.db2.gz AYQBNCBYCPAYJF-HNNXBMFYSA-N -1 3 379.917 3.696 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000122371984 607853222 /nfs/dbraw/zinc/85/32/22/607853222.db2.gz HFQMOLVRCUSPPR-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000122371984 607853223 /nfs/dbraw/zinc/85/32/23/607853223.db2.gz HFQMOLVRCUSPPR-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2ccccn2)ccc1Cl ZINC000826454210 607861894 /nfs/dbraw/zinc/86/18/94/607861894.db2.gz NGXCPXCRNPCHOT-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2ccccn2)ccc1Cl ZINC000826454210 607861895 /nfs/dbraw/zinc/86/18/95/607861895.db2.gz NGXCPXCRNPCHOT-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM CCN(C(=O)Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375950 607877766 /nfs/dbraw/zinc/87/77/66/607877766.db2.gz ALLAIOZZOZFFAC-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375950 607877767 /nfs/dbraw/zinc/87/77/67/607877767.db2.gz ALLAIOZZOZFFAC-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000824052161 607880284 /nfs/dbraw/zinc/88/02/84/607880284.db2.gz LUSAMKLOKHAQQP-AWEZNQCLSA-N -1 3 378.432 3.502 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000824052161 607880285 /nfs/dbraw/zinc/88/02/85/607880285.db2.gz LUSAMKLOKHAQQP-AWEZNQCLSA-N -1 3 378.432 3.502 20 0 GHADHM Cc1c(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nnn[n-]2)cnn1C ZINC000826235769 607884112 /nfs/dbraw/zinc/88/41/12/607884112.db2.gz QSDYICSTIIFFQH-FPLPWBNLSA-N -1 3 390.838 3.533 20 0 GHADHM Cc1c(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nn[n-]n2)cnn1C ZINC000826235769 607884113 /nfs/dbraw/zinc/88/41/13/607884113.db2.gz QSDYICSTIIFFQH-FPLPWBNLSA-N -1 3 390.838 3.533 20 0 GHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824655857 607902877 /nfs/dbraw/zinc/90/28/77/607902877.db2.gz GGYBVDCXKFJKBU-JGFSIVIASA-N -1 3 395.410 3.796 20 0 GHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824655857 607902878 /nfs/dbraw/zinc/90/28/78/607902878.db2.gz GGYBVDCXKFJKBU-JGFSIVIASA-N -1 3 395.410 3.796 20 0 GHADHM O=[S@@](Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000826495756 607910939 /nfs/dbraw/zinc/91/09/39/607910939.db2.gz AKIODYASGZYSJR-NDEPHWFRSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@@](Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000826495756 607910940 /nfs/dbraw/zinc/91/09/40/607910940.db2.gz AKIODYASGZYSJR-NDEPHWFRSA-N -1 3 389.484 3.787 20 0 GHADHM O=C(c1ccccc1SC(F)(F)F)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474532 607951847 /nfs/dbraw/zinc/95/18/47/607951847.db2.gz UNEMREMSHLKDFR-UHFFFAOYSA-N -1 3 391.378 3.682 20 0 GHADHM O=C(c1ccccc1SC(F)(F)F)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474532 607951848 /nfs/dbraw/zinc/95/18/48/607951848.db2.gz UNEMREMSHLKDFR-UHFFFAOYSA-N -1 3 391.378 3.682 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826470214 607962165 /nfs/dbraw/zinc/96/21/65/607962165.db2.gz IDKGLVUGDCUPHR-UHFFFAOYSA-N -1 3 399.410 3.568 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 ZINC000826185011 607965679 /nfs/dbraw/zinc/96/56/79/607965679.db2.gz VKPOJYBGFHCNLO-LRDDRELGSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 ZINC000826185011 607965680 /nfs/dbraw/zinc/96/56/80/607965680.db2.gz VKPOJYBGFHCNLO-LRDDRELGSA-N -1 3 399.524 3.819 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337198 607965858 /nfs/dbraw/zinc/96/58/58/607965858.db2.gz GGZMGWCXFCENQN-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337198 607965859 /nfs/dbraw/zinc/96/58/59/607965859.db2.gz GGZMGWCXFCENQN-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826207675 607983655 /nfs/dbraw/zinc/98/36/55/607983655.db2.gz XUMFMRNTKLWMHW-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826207675 607983656 /nfs/dbraw/zinc/98/36/56/607983656.db2.gz XUMFMRNTKLWMHW-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCc2[nH]c3ccccc3c2C1 ZINC000823826223 607988156 /nfs/dbraw/zinc/98/81/56/607988156.db2.gz DSOPCSYUSBLAMT-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826273856 608008646 /nfs/dbraw/zinc/00/86/46/608008646.db2.gz XDIDYLXXUHDJMF-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826273856 608008647 /nfs/dbraw/zinc/00/86/47/608008647.db2.gz XDIDYLXXUHDJMF-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cc([C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262102 608009364 /nfs/dbraw/zinc/00/93/64/608009364.db2.gz DTTVIRHMOZHDAT-YBNHLDJLSA-N -1 3 377.423 3.595 20 0 GHADHM Cc1cc([C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262102 608009365 /nfs/dbraw/zinc/00/93/65/608009365.db2.gz DTTVIRHMOZHDAT-YBNHLDJLSA-N -1 3 377.423 3.595 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081516 608024687 /nfs/dbraw/zinc/02/46/87/608024687.db2.gz KOWOBOBREFOVCI-SNVBAGLBSA-N -1 3 385.859 3.817 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081516 608024688 /nfs/dbraw/zinc/02/46/88/608024688.db2.gz KOWOBOBREFOVCI-SNVBAGLBSA-N -1 3 385.859 3.817 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000825626787 608025830 /nfs/dbraw/zinc/02/58/30/608025830.db2.gz PLUIQWNVXWGHET-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000825626787 608025831 /nfs/dbraw/zinc/02/58/31/608025831.db2.gz PLUIQWNVXWGHET-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824469838 608028702 /nfs/dbraw/zinc/02/87/02/608028702.db2.gz CYWFJURNUNBIQM-ZDUSSCGKSA-N -1 3 397.429 3.834 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824469838 608028703 /nfs/dbraw/zinc/02/87/03/608028703.db2.gz CYWFJURNUNBIQM-ZDUSSCGKSA-N -1 3 397.429 3.834 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc2c(c1)OCO2 ZINC000824651226 608046947 /nfs/dbraw/zinc/04/69/47/608046947.db2.gz XXLHTQWMXVNBCC-SECBINFHSA-N -1 3 388.225 3.531 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc2c(c1)OCO2 ZINC000824651228 608047084 /nfs/dbraw/zinc/04/70/84/608047084.db2.gz XXLHTQWMXVNBCC-VIFPVBQESA-N -1 3 388.225 3.531 20 0 GHADHM CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826093 608066628 /nfs/dbraw/zinc/06/66/28/608066628.db2.gz WCIAEWAYERQRRB-UHFFFAOYSA-N -1 3 395.369 3.898 20 0 GHADHM CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826093 608066629 /nfs/dbraw/zinc/06/66/29/608066629.db2.gz WCIAEWAYERQRRB-UHFFFAOYSA-N -1 3 395.369 3.898 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc(F)c12 ZINC000825333467 608072636 /nfs/dbraw/zinc/07/26/36/608072636.db2.gz ZLPMPVISOPXNDT-UHFFFAOYSA-N -1 3 379.399 3.561 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825225332 608222765 /nfs/dbraw/zinc/22/27/65/608222765.db2.gz RUDDOYBSWIRTIT-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825225332 608222767 /nfs/dbraw/zinc/22/27/67/608222767.db2.gz RUDDOYBSWIRTIT-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM Cc1cccc([C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c2ccccn2)c1 ZINC000826297045 608231003 /nfs/dbraw/zinc/23/10/03/608231003.db2.gz SXFROJOCMDLKLQ-HXUWFJFHSA-N -1 3 383.459 3.655 20 0 GHADHM Cc1cccc([C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c2ccccn2)c1 ZINC000826297045 608231005 /nfs/dbraw/zinc/23/10/05/608231005.db2.gz SXFROJOCMDLKLQ-HXUWFJFHSA-N -1 3 383.459 3.655 20 0 GHADHM C[C@@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)Cc1ccc(Cl)cc1 ZINC000824385074 608235842 /nfs/dbraw/zinc/23/58/42/608235842.db2.gz LDMZGIIOZVPHOH-GFCCVEGCSA-N -1 3 387.846 3.544 20 0 GHADHM C[C@@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)Cc1ccc(Cl)cc1 ZINC000824385074 608235844 /nfs/dbraw/zinc/23/58/44/608235844.db2.gz LDMZGIIOZVPHOH-GFCCVEGCSA-N -1 3 387.846 3.544 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824507841 608266443 /nfs/dbraw/zinc/26/64/43/608266443.db2.gz ZAFTZFVRQDLTGY-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824507841 608266445 /nfs/dbraw/zinc/26/64/45/608266445.db2.gz ZAFTZFVRQDLTGY-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM COc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000826204688 608283281 /nfs/dbraw/zinc/28/32/81/608283281.db2.gz VYFTXNFFSZOTGM-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM COc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000826204688 608283282 /nfs/dbraw/zinc/28/32/82/608283282.db2.gz VYFTXNFFSZOTGM-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM CCc1ncnc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1F ZINC000825754527 608294256 /nfs/dbraw/zinc/29/42/56/608294256.db2.gz BAIARKVGTCEPPX-UHFFFAOYSA-N -1 3 375.411 3.637 20 0 GHADHM CCc1ncnc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1F ZINC000825754527 608294258 /nfs/dbraw/zinc/29/42/58/608294258.db2.gz BAIARKVGTCEPPX-UHFFFAOYSA-N -1 3 375.411 3.637 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000826441204 608328650 /nfs/dbraw/zinc/32/86/50/608328650.db2.gz SYZSXRYFJXOBGP-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000826441204 608328652 /nfs/dbraw/zinc/32/86/52/608328652.db2.gz SYZSXRYFJXOBGP-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826277810 608338075 /nfs/dbraw/zinc/33/80/75/608338075.db2.gz HQSNDZZGMCXOIH-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826277810 608338077 /nfs/dbraw/zinc/33/80/77/608338077.db2.gz HQSNDZZGMCXOIH-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000825113868 608344096 /nfs/dbraw/zinc/34/40/96/608344096.db2.gz HTRRELGFAHJGEW-UHFFFAOYSA-N -1 3 387.875 3.744 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000825113868 608344097 /nfs/dbraw/zinc/34/40/97/608344097.db2.gz HTRRELGFAHJGEW-UHFFFAOYSA-N -1 3 387.875 3.744 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824192782 608355981 /nfs/dbraw/zinc/35/59/81/608355981.db2.gz MJOXGVHHZYPRDM-OAHLLOKOSA-N -1 3 378.480 3.720 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824192782 608355983 /nfs/dbraw/zinc/35/59/83/608355983.db2.gz MJOXGVHHZYPRDM-OAHLLOKOSA-N -1 3 378.480 3.720 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)c1cnccc1-c1nn[n-]n1 ZINC000825918492 608369192 /nfs/dbraw/zinc/36/91/92/608369192.db2.gz GBAIXXWQTDRCMW-UHFFFAOYSA-N -1 3 388.479 3.501 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000826169781 608370840 /nfs/dbraw/zinc/37/08/40/608370840.db2.gz DUKOFKQTHIKRKC-UHFFFAOYSA-N -1 3 390.274 3.961 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1Cl ZINC000736118143 608412662 /nfs/dbraw/zinc/41/26/62/608412662.db2.gz UBKWPEKJBKBOPI-NSHDSACASA-N -1 3 387.875 3.959 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1Cl ZINC000736118143 608412664 /nfs/dbraw/zinc/41/26/64/608412664.db2.gz UBKWPEKJBKBOPI-NSHDSACASA-N -1 3 387.875 3.959 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1-c1nnn[n-]1 ZINC000824329922 608449393 /nfs/dbraw/zinc/44/93/93/608449393.db2.gz XZWLLVDSPLYCAC-UHFFFAOYSA-N -1 3 392.394 3.594 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000824329922 608449395 /nfs/dbraw/zinc/44/93/95/608449395.db2.gz XZWLLVDSPLYCAC-UHFFFAOYSA-N -1 3 392.394 3.594 20 0 GHADHM CC(C)(C)c1nc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000824141037 608481316 /nfs/dbraw/zinc/48/13/16/608481316.db2.gz ASQXNDBFIOKPAE-UHFFFAOYSA-N -1 3 394.504 3.550 20 0 GHADHM CC(C)(C)c1nc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000824141037 608481317 /nfs/dbraw/zinc/48/13/17/608481317.db2.gz ASQXNDBFIOKPAE-UHFFFAOYSA-N -1 3 394.504 3.550 20 0 GHADHM Cc1[nH]c2ccc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2c1C ZINC000826233040 608483219 /nfs/dbraw/zinc/48/32/19/608483219.db2.gz RKPUIICCPZUOBT-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Cc1[nH]c2ccc(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cc2c1C ZINC000826233040 608483221 /nfs/dbraw/zinc/48/32/21/608483221.db2.gz RKPUIICCPZUOBT-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826283132 608491676 /nfs/dbraw/zinc/49/16/76/608491676.db2.gz LGNHSFQOQKIRQO-AWEZNQCLSA-N -1 3 394.504 3.797 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826283132 608491677 /nfs/dbraw/zinc/49/16/77/608491677.db2.gz LGNHSFQOQKIRQO-AWEZNQCLSA-N -1 3 394.504 3.797 20 0 GHADHM C[C@@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824506793 608509081 /nfs/dbraw/zinc/50/90/81/608509081.db2.gz QKRMMZYQOFGCSW-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824506793 608509082 /nfs/dbraw/zinc/50/90/82/608509082.db2.gz QKRMMZYQOFGCSW-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM Fc1cc(F)c(F)c(CN[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1F ZINC000826372785 608524076 /nfs/dbraw/zinc/52/40/76/608524076.db2.gz LPDBCGVQTCSBNW-OAHLLOKOSA-N -1 3 377.345 3.590 20 0 GHADHM C[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824712773 608550542 /nfs/dbraw/zinc/55/05/42/608550542.db2.gz CWIYOYVHAPFWDE-GFCCVEGCSA-N -1 3 395.444 3.546 20 0 GHADHM C[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824712773 608550544 /nfs/dbraw/zinc/55/05/44/608550544.db2.gz CWIYOYVHAPFWDE-GFCCVEGCSA-N -1 3 395.444 3.546 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3cc(-c4nnn[n-]4)cs3)cn2)c1 ZINC000826369248 608569220 /nfs/dbraw/zinc/56/92/20/608569220.db2.gz UBCXSZNJDOUWHZ-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3cc(-c4nn[n-]n4)cs3)cn2)c1 ZINC000826369248 608569222 /nfs/dbraw/zinc/56/92/22/608569222.db2.gz UBCXSZNJDOUWHZ-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM Cc1cc(NCc2ccc(Cl)cn2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271124 608585564 /nfs/dbraw/zinc/58/55/64/608585564.db2.gz DGPBTGFNIHLLEI-UHFFFAOYSA-N -1 3 390.838 3.637 20 0 GHADHM Cc1cc(NCc2ccc(Cl)cn2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271124 608585565 /nfs/dbraw/zinc/58/55/65/608585565.db2.gz DGPBTGFNIHLLEI-UHFFFAOYSA-N -1 3 390.838 3.637 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826339621 608601309 /nfs/dbraw/zinc/60/13/09/608601309.db2.gz LYNRSECVFCHORV-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826339621 608601311 /nfs/dbraw/zinc/60/13/11/608601311.db2.gz LYNRSECVFCHORV-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM c1sc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000826519901 608676822 /nfs/dbraw/zinc/67/68/22/608676822.db2.gz SWIGCCXBXPERBU-INIZCTEOSA-N -1 3 393.476 3.705 20 0 GHADHM c1sc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000826519901 608676824 /nfs/dbraw/zinc/67/68/24/608676824.db2.gz SWIGCCXBXPERBU-INIZCTEOSA-N -1 3 393.476 3.705 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826323903 608745868 /nfs/dbraw/zinc/74/58/68/608745868.db2.gz WTAHQQGLTNKGDX-ZDUSSCGKSA-N -1 3 396.524 3.596 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826323903 608745869 /nfs/dbraw/zinc/74/58/69/608745869.db2.gz WTAHQQGLTNKGDX-ZDUSSCGKSA-N -1 3 396.524 3.596 20 0 GHADHM FC(F)[C@H](Cc1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826369553 608757384 /nfs/dbraw/zinc/75/73/84/608757384.db2.gz HSWUUFUTDAPDIR-KRWDZBQOSA-N -1 3 389.475 3.566 20 0 GHADHM FC(F)[C@H](Cc1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826369553 608757385 /nfs/dbraw/zinc/75/73/85/608757385.db2.gz HSWUUFUTDAPDIR-KRWDZBQOSA-N -1 3 389.475 3.566 20 0 GHADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826462405 608844986 /nfs/dbraw/zinc/84/49/86/608844986.db2.gz XFCALMNWRZNJJQ-OAHLLOKOSA-N -1 3 399.382 3.548 20 0 GHADHM O=C(O[C@@H](c1nccs1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826462405 608844987 /nfs/dbraw/zinc/84/49/87/608844987.db2.gz XFCALMNWRZNJJQ-OAHLLOKOSA-N -1 3 399.382 3.548 20 0 GHADHM Clc1ccc(/C=C\CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351183 608850881 /nfs/dbraw/zinc/85/08/81/608850881.db2.gz BDICUDBSFANSOE-FFPCURRISA-N -1 3 381.867 3.607 20 0 GHADHM Clc1ccc(/C=C\CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351183 608850882 /nfs/dbraw/zinc/85/08/82/608850882.db2.gz BDICUDBSFANSOE-FFPCURRISA-N -1 3 381.867 3.607 20 0 GHADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826455364 609139781 /nfs/dbraw/zinc/13/97/81/609139781.db2.gz KWCHJFSQALTEQO-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826455364 609139782 /nfs/dbraw/zinc/13/97/82/609139782.db2.gz KWCHJFSQALTEQO-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824907748 609159299 /nfs/dbraw/zinc/15/92/99/609159299.db2.gz KADBSGKKNLVUCA-SCZZXKLOSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824907748 609159301 /nfs/dbraw/zinc/15/93/01/609159301.db2.gz KADBSGKKNLVUCA-SCZZXKLOSA-N -1 3 388.781 3.715 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ncoc2C(C)C)c1-c1nnn[n-]1 ZINC000826234168 609166233 /nfs/dbraw/zinc/16/62/33/609166233.db2.gz KPTQGLFVIJSHCF-UHFFFAOYSA-N -1 3 391.435 3.638 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ncoc2C(C)C)c1-c1nn[n-]n1 ZINC000826234168 609166235 /nfs/dbraw/zinc/16/62/35/609166235.db2.gz KPTQGLFVIJSHCF-UHFFFAOYSA-N -1 3 391.435 3.638 20 0 GHADHM COc1ccccc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826218412 609167820 /nfs/dbraw/zinc/16/78/20/609167820.db2.gz AXTQCRYBFUZVAM-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM COc1ccccc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826218412 609167821 /nfs/dbraw/zinc/16/78/21/609167821.db2.gz AXTQCRYBFUZVAM-UHFFFAOYSA-N -1 3 388.431 3.535 20 0 GHADHM CCOCCOCc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825599995 609175244 /nfs/dbraw/zinc/17/52/44/609175244.db2.gz VUKXFCJCROZDRX-OAQYLSRUSA-N -1 3 393.491 3.909 20 0 GHADHM CCOCCOCc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825599995 609175245 /nfs/dbraw/zinc/17/52/45/609175245.db2.gz VUKXFCJCROZDRX-OAQYLSRUSA-N -1 3 393.491 3.909 20 0 GHADHM CSc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826231147 609177081 /nfs/dbraw/zinc/17/70/81/609177081.db2.gz ZAQWLBSHUZCMMD-UHFFFAOYSA-N -1 3 383.477 3.557 20 0 GHADHM CSc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826231147 609177083 /nfs/dbraw/zinc/17/70/83/609177083.db2.gz ZAQWLBSHUZCMMD-UHFFFAOYSA-N -1 3 383.477 3.557 20 0 GHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC[C@H]2CCCO2)c1 ZINC000826291689 609182314 /nfs/dbraw/zinc/18/23/14/609182314.db2.gz RCYMVPBCAMYYNJ-MAUKXSAKSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@H]2CCCO2)c1 ZINC000826291689 609182315 /nfs/dbraw/zinc/18/23/15/609182315.db2.gz RCYMVPBCAMYYNJ-MAUKXSAKSA-N -1 3 379.464 3.906 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1Cl)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427362 609204289 /nfs/dbraw/zinc/20/42/89/609204289.db2.gz NJNHZLORGSGYIX-KRWDZBQOSA-N -1 3 392.850 3.562 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1Cl)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427362 609204291 /nfs/dbraw/zinc/20/42/91/609204291.db2.gz NJNHZLORGSGYIX-KRWDZBQOSA-N -1 3 392.850 3.562 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385705 609233515 /nfs/dbraw/zinc/23/35/15/609233515.db2.gz ZMETVIANBDVSTG-SNVBAGLBSA-N -1 3 387.802 3.507 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385705 609233516 /nfs/dbraw/zinc/23/35/16/609233516.db2.gz ZMETVIANBDVSTG-SNVBAGLBSA-N -1 3 387.802 3.507 20 0 GHADHM CC(C)[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824198788 609241795 /nfs/dbraw/zinc/24/17/95/609241795.db2.gz DYNXYPCQAWRLLB-NRFANRHFSA-N -1 3 392.507 3.637 20 0 GHADHM CC(C)[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824198788 609241797 /nfs/dbraw/zinc/24/17/97/609241797.db2.gz DYNXYPCQAWRLLB-NRFANRHFSA-N -1 3 392.507 3.637 20 0 GHADHM Cc1sc(NC(=O)c2cnn(C3CCCCC3)c2C)c(-c2nnn[n-]2)c1C ZINC000826350235 609269314 /nfs/dbraw/zinc/26/93/14/609269314.db2.gz NHGBQSMKFXLPTN-UHFFFAOYSA-N -1 3 385.497 3.807 20 0 GHADHM Cc1sc(NC(=O)c2cnn(C3CCCCC3)c2C)c(-c2nn[n-]n2)c1C ZINC000826350235 609269315 /nfs/dbraw/zinc/26/93/15/609269315.db2.gz NHGBQSMKFXLPTN-UHFFFAOYSA-N -1 3 385.497 3.807 20 0 GHADHM O=C(Nc1cccc(COCC2CC2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456665 609291114 /nfs/dbraw/zinc/29/11/14/609291114.db2.gz QMBPHEXTXSDGIQ-UHFFFAOYSA-N -1 3 383.839 3.699 20 0 GHADHM O=C(Nc1cccc(COCC2CC2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456665 609291116 /nfs/dbraw/zinc/29/11/16/609291116.db2.gz QMBPHEXTXSDGIQ-UHFFFAOYSA-N -1 3 383.839 3.699 20 0 GHADHM FC(F)Oc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)cc1 ZINC000826369943 609298065 /nfs/dbraw/zinc/29/80/65/609298065.db2.gz WGRUJFOOLVANQD-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)cc1 ZINC000826369943 609298066 /nfs/dbraw/zinc/29/80/66/609298066.db2.gz WGRUJFOOLVANQD-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM c1ccc(Oc2ncccc2-c2nnn[n-]2)c(NCc2ccc3c(c2)COC3)c1 ZINC000826522791 609312142 /nfs/dbraw/zinc/31/21/42/609312142.db2.gz OHQTYXOWBLRVLE-UHFFFAOYSA-N -1 3 386.415 3.696 20 0 GHADHM CC(C)OCCCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824315431 609321697 /nfs/dbraw/zinc/32/16/97/609321697.db2.gz NHRTVNAGIMXGFD-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CC(C)OCCCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824315431 609321699 /nfs/dbraw/zinc/32/16/99/609321699.db2.gz NHRTVNAGIMXGFD-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000825080647 609323837 /nfs/dbraw/zinc/32/38/37/609323837.db2.gz BHFNCTSLACZCBO-SECBINFHSA-N -1 3 393.373 3.614 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000825080647 609323839 /nfs/dbraw/zinc/32/38/39/609323839.db2.gz BHFNCTSLACZCBO-SECBINFHSA-N -1 3 393.373 3.614 20 0 GHADHM O=C(NCCCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826436554 609326376 /nfs/dbraw/zinc/32/63/76/609326376.db2.gz YCTCNBVRQIZQDP-UHFFFAOYSA-N -1 3 391.353 3.731 20 0 GHADHM O=C(NCCCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826436554 609326378 /nfs/dbraw/zinc/32/63/78/609326378.db2.gz YCTCNBVRQIZQDP-UHFFFAOYSA-N -1 3 391.353 3.731 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825050106 609341480 /nfs/dbraw/zinc/34/14/80/609341480.db2.gz GUUMFYGXFPKLLV-KGLIPLIRSA-N -1 3 396.470 3.841 20 0 GHADHM CC(C)(C)OCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824119196 609350675 /nfs/dbraw/zinc/35/06/75/609350675.db2.gz COABBXWCVXJYGI-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM CC(C)(C)OCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824119196 609350678 /nfs/dbraw/zinc/35/06/78/609350678.db2.gz COABBXWCVXJYGI-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM CC[C@@](C)(NCc1ccc(-c2nnn[n-]2)cc1Br)c1nccs1 ZINC000825044312 609366261 /nfs/dbraw/zinc/36/62/61/609366261.db2.gz OBJDIANUMNEQJA-OAHLLOKOSA-N -1 3 393.314 3.501 20 0 GHADHM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)cc1Br)c1nccs1 ZINC000825044312 609366262 /nfs/dbraw/zinc/36/62/62/609366262.db2.gz OBJDIANUMNEQJA-OAHLLOKOSA-N -1 3 393.314 3.501 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(F)c(F)c1 ZINC000824612988 609367734 /nfs/dbraw/zinc/36/77/34/609367734.db2.gz QPLQJWFIVOFXQC-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000826273687 609376992 /nfs/dbraw/zinc/37/69/92/609376992.db2.gz PQJINACRIUNVNY-LBPRGKRZSA-N -1 3 379.445 3.988 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826273687 609376995 /nfs/dbraw/zinc/37/69/95/609376995.db2.gz PQJINACRIUNVNY-LBPRGKRZSA-N -1 3 379.445 3.988 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825106592 609378813 /nfs/dbraw/zinc/37/88/13/609378813.db2.gz GCMBBEKFQXEBRP-XJKSGUPXSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825106592 609378814 /nfs/dbraw/zinc/37/88/14/609378814.db2.gz GCMBBEKFQXEBRP-XJKSGUPXSA-N -1 3 392.891 3.625 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824952776 609400688 /nfs/dbraw/zinc/40/06/88/609400688.db2.gz ASNAVOIUPMBBRH-DYVFJYSZSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824952776 609400690 /nfs/dbraw/zinc/40/06/90/609400690.db2.gz ASNAVOIUPMBBRH-DYVFJYSZSA-N -1 3 397.479 3.838 20 0 GHADHM CC(C)[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1F ZINC000824191048 609407127 /nfs/dbraw/zinc/40/71/27/609407127.db2.gz CKSAWLKHJNCYNS-SFHVURJKSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000824191048 609407128 /nfs/dbraw/zinc/40/71/28/609407128.db2.gz CKSAWLKHJNCYNS-SFHVURJKSA-N -1 3 387.846 3.715 20 0 GHADHM Clc1ccc(-n2ccc(NCc3csc(C4CC4)n3)n2)c(-c2nnn[n-]2)c1 ZINC000826351694 609447031 /nfs/dbraw/zinc/44/70/31/609447031.db2.gz WLWBYSCEOCNQEU-UHFFFAOYSA-N -1 3 398.883 3.652 20 0 GHADHM Clc1ccc(-n2ccc(NCc3csc(C4CC4)n3)n2)c(-c2nn[n-]n2)c1 ZINC000826351694 609447032 /nfs/dbraw/zinc/44/70/32/609447032.db2.gz WLWBYSCEOCNQEU-UHFFFAOYSA-N -1 3 398.883 3.652 20 0 GHADHM Fc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1F ZINC000826374817 609447071 /nfs/dbraw/zinc/44/70/71/609447071.db2.gz NMCJAOLPVHOVJU-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSc2ccc(-c3nnn[n-]3)cc2F)c1Cl ZINC000826365811 609449392 /nfs/dbraw/zinc/44/93/92/609449392.db2.gz DTHXBPBQHDDRKV-UHFFFAOYSA-N -1 3 392.769 3.704 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSc2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000826365811 609449394 /nfs/dbraw/zinc/44/93/94/609449394.db2.gz DTHXBPBQHDDRKV-UHFFFAOYSA-N -1 3 392.769 3.704 20 0 GHADHM CCc1nnc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000825762766 609450272 /nfs/dbraw/zinc/45/02/72/609450272.db2.gz IBQGMKDDDGBHAH-KBPBESRZSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1nnc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000825762766 609450274 /nfs/dbraw/zinc/45/02/74/609450274.db2.gz IBQGMKDDDGBHAH-KBPBESRZSA-N -1 3 389.463 3.891 20 0 GHADHM FC(F)(F)c1cc(SCc2cn3ccsc3n2)ccc1-c1nnn[n-]1 ZINC000826368108 609453621 /nfs/dbraw/zinc/45/36/21/609453621.db2.gz CAZZRLIBJKROLS-UHFFFAOYSA-N -1 3 382.396 3.887 20 0 GHADHM FC(F)(F)c1cc(SCc2cn3ccsc3n2)ccc1-c1nn[n-]n1 ZINC000826368108 609453624 /nfs/dbraw/zinc/45/36/24/609453624.db2.gz CAZZRLIBJKROLS-UHFFFAOYSA-N -1 3 382.396 3.887 20 0 GHADHM CCCc1c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCC1 ZINC000825348539 609478491 /nfs/dbraw/zinc/47/84/91/609478491.db2.gz PKLRBQHWVZTXQO-AWEZNQCLSA-N -1 3 393.495 3.622 20 0 GHADHM CCCc1c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCC1 ZINC000825348539 609478492 /nfs/dbraw/zinc/47/84/92/609478492.db2.gz PKLRBQHWVZTXQO-AWEZNQCLSA-N -1 3 393.495 3.622 20 0 GHADHM Fc1ccc(NCc2ccc(Br)c3cccnc23)cc1-c1nnn[n-]1 ZINC000826375468 609479183 /nfs/dbraw/zinc/47/91/83/609479183.db2.gz OYFYSQGAMJUDGN-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Fc1ccc(NCc2ccc(Br)c3cccnc23)cc1-c1nn[n-]n1 ZINC000826375468 609479184 /nfs/dbraw/zinc/47/91/84/609479184.db2.gz OYFYSQGAMJUDGN-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM O=C(Nc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F)c1cccs1 ZINC000826457942 609479774 /nfs/dbraw/zinc/47/97/74/609479774.db2.gz WHOAVNCYBANLOS-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(Nc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F)c1cccs1 ZINC000826457942 609479778 /nfs/dbraw/zinc/47/97/78/609479778.db2.gz WHOAVNCYBANLOS-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM Fc1cc(Br)c(NCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826372324 609481554 /nfs/dbraw/zinc/48/15/54/609481554.db2.gz ROMWDNIRECCVLS-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(Br)c(NCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826372324 609481555 /nfs/dbraw/zinc/48/15/55/609481555.db2.gz ROMWDNIRECCVLS-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(OC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000825553809 609490451 /nfs/dbraw/zinc/49/04/51/609490451.db2.gz XODBHNWDWHNLHP-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(OC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000825553809 609490453 /nfs/dbraw/zinc/49/04/53/609490453.db2.gz XODBHNWDWHNLHP-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM COc1cc(C)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1OC ZINC000826178482 609493469 /nfs/dbraw/zinc/49/34/69/609493469.db2.gz ZOQJSUZSKAETMQ-UHFFFAOYSA-N -1 3 383.452 3.592 20 0 GHADHM COc1cc(C)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1OC ZINC000826178482 609493472 /nfs/dbraw/zinc/49/34/72/609493472.db2.gz ZOQJSUZSKAETMQ-UHFFFAOYSA-N -1 3 383.452 3.592 20 0 GHADHM COc1cc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)ccc1OCC(C)C ZINC000826177785 609532409 /nfs/dbraw/zinc/53/24/09/609532409.db2.gz VKOAFPIUJNHBQD-CQSZACIVSA-N -1 3 382.468 3.787 20 0 GHADHM COc1cc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)ccc1OCC(C)C ZINC000826177785 609532411 /nfs/dbraw/zinc/53/24/11/609532411.db2.gz VKOAFPIUJNHBQD-CQSZACIVSA-N -1 3 382.468 3.787 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(COc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826237993 609539839 /nfs/dbraw/zinc/53/98/39/609539839.db2.gz SJXNQYBZHWOSPT-UHFFFAOYSA-N -1 3 384.871 3.519 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(COc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826237993 609539841 /nfs/dbraw/zinc/53/98/41/609539841.db2.gz SJXNQYBZHWOSPT-UHFFFAOYSA-N -1 3 384.871 3.519 20 0 GHADHM CCC(CC)N(CC(C)C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825106858 609591233 /nfs/dbraw/zinc/59/12/33/609591233.db2.gz KDLXKTLTNIQRMM-UHFFFAOYSA-N -1 3 395.511 3.648 20 0 GHADHM CCC(CC)N(CC(C)C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825106858 609591234 /nfs/dbraw/zinc/59/12/34/609591234.db2.gz KDLXKTLTNIQRMM-UHFFFAOYSA-N -1 3 395.511 3.648 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([C@H]2CCCOC2)cc1 ZINC000826452870 609596293 /nfs/dbraw/zinc/59/62/93/609596293.db2.gz MFNSTFXKUWYUCG-HNNXBMFYSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([C@H]2CCCOC2)cc1 ZINC000826452870 609596295 /nfs/dbraw/zinc/59/62/95/609596295.db2.gz MFNSTFXKUWYUCG-HNNXBMFYSA-N -1 3 383.839 3.666 20 0 GHADHM CCC(=O)c1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)ccc1F ZINC000825034404 609620301 /nfs/dbraw/zinc/62/03/01/609620301.db2.gz JRAIWPOFSBLGGU-UHFFFAOYSA-N -1 3 388.786 3.609 20 0 GHADHM CCC(=O)c1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)ccc1F ZINC000825034404 609620302 /nfs/dbraw/zinc/62/03/02/609620302.db2.gz JRAIWPOFSBLGGU-UHFFFAOYSA-N -1 3 388.786 3.609 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000824712845 609629165 /nfs/dbraw/zinc/62/91/65/609629165.db2.gz DIPSFDNIQLCBKE-RFAUZJTJSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000824712845 609629166 /nfs/dbraw/zinc/62/91/66/609629166.db2.gz DIPSFDNIQLCBKE-RFAUZJTJSA-N -1 3 393.230 3.511 20 0 GHADHM Cc1nc(-c2ccc(N3CCC(F)(c4cccnc4)CC3)nc2)[n-]c(=O)c1C ZINC000376472658 837473873 /nfs/dbraw/zinc/47/38/73/837473873.db2.gz FDHZKAVQVLKAQB-UHFFFAOYSA-N -1 3 379.439 3.721 20 0 GHADHM CCn1nc(C)c([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)c1C ZINC000255080064 837713559 /nfs/dbraw/zinc/71/35/59/837713559.db2.gz QQSYVNVTFWWYQN-HJWRWDBZSA-N -1 3 384.299 3.695 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1CCC(C(F)F)CC1 ZINC000458542997 834431100 /nfs/dbraw/zinc/43/11/00/834431100.db2.gz CFQZJPSRPRRFPC-UHFFFAOYSA-N -1 3 377.229 3.778 20 0 GHADHM CO[C@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000579735012 834493204 /nfs/dbraw/zinc/49/32/04/834493204.db2.gz RAMGYQKAYVRCQU-WMLDXEAASA-N -1 3 377.387 3.821 20 0 GHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc(C(F)(F)F)c1 ZINC000683119866 834539073 /nfs/dbraw/zinc/53/90/73/834539073.db2.gz IREMGURMNWDDNN-MRXNPFEDSA-N -1 3 392.377 3.963 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1[O-] ZINC000094084638 834722846 /nfs/dbraw/zinc/72/28/46/834722846.db2.gz XDFZASQDDBPOEZ-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccccc1OC(F)(F)F ZINC000142090120 834787264 /nfs/dbraw/zinc/78/72/64/834787264.db2.gz AZHRIWLLOHDSGY-UHFFFAOYSA-N -1 3 395.742 3.768 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 ZINC000583647287 834808027 /nfs/dbraw/zinc/80/80/27/834808027.db2.gz OCQHRKOHHFESJL-CQSZACIVSA-N -1 3 396.242 3.938 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000471128240 834833666 /nfs/dbraw/zinc/83/36/66/834833666.db2.gz XQZYZUBWVFXMNH-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(Br)c2)cc1 ZINC000683171848 834907491 /nfs/dbraw/zinc/90/74/91/834907491.db2.gz QVUFHZPSTZGIKS-MRXNPFEDSA-N -1 3 382.229 3.902 20 0 GHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000683172828 834916868 /nfs/dbraw/zinc/91/68/68/834916868.db2.gz DTHIZPKBFLHQQE-QGZVFWFLSA-N -1 3 394.265 3.772 20 0 GHADHM CC[C@@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000683174017 834917409 /nfs/dbraw/zinc/91/74/09/834917409.db2.gz PDXIXOQXTAZZLU-XCLFUZPHSA-N -1 3 391.439 3.936 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(Br)cc1)c2=O ZINC000503242526 834929620 /nfs/dbraw/zinc/92/96/20/834929620.db2.gz DFEPPUNBOJMDMB-UHFFFAOYSA-N -1 3 391.196 3.691 20 0 GHADHM CCOc1cc(CNCc2cccc(C(=O)[O-])c2)cc(Br)c1OC ZINC000683176934 834932894 /nfs/dbraw/zinc/93/28/94/834932894.db2.gz XQMJAEVHTNFFCK-UHFFFAOYSA-N -1 3 394.265 3.844 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c1 ZINC000500786785 844014077 /nfs/dbraw/zinc/01/40/77/844014077.db2.gz LMJPATAXVSCMPV-UHFFFAOYSA-N -1 3 380.897 3.795 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(Br)cn1 ZINC000462292874 835095493 /nfs/dbraw/zinc/09/54/93/835095493.db2.gz XZLANIOMBRCLGB-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM O=c1cc(C[S@@](=O)c2ccc(Br)c(Cl)c2)nc(C2CC2)[n-]1 ZINC000583859106 835156666 /nfs/dbraw/zinc/15/66/66/835156666.db2.gz FHEZULDYXIETIB-OAQYLSRUSA-N -1 3 387.686 3.783 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000280926675 835183163 /nfs/dbraw/zinc/18/31/63/835183163.db2.gz OPOLNDQWXZCNPQ-AWEZNQCLSA-N -1 3 394.500 3.780 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000066578170 835217970 /nfs/dbraw/zinc/21/79/70/835217970.db2.gz HJVKISQJZGYOCX-BQYQJAHWSA-N -1 3 395.271 3.987 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000890592278 835224393 /nfs/dbraw/zinc/22/43/93/835224393.db2.gz BQGHDFAADVFUPM-SNVBAGLBSA-N -1 3 378.523 3.682 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)C1CCC1 ZINC000131736100 835252891 /nfs/dbraw/zinc/25/28/91/835252891.db2.gz GSSIFSQHMBQPGQ-AWEZNQCLSA-N -1 3 390.480 3.853 20 0 GHADHM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCC1 ZINC000131964918 835306598 /nfs/dbraw/zinc/30/65/98/835306598.db2.gz GSRJTPYMDNSPIF-ZDUSSCGKSA-N -1 3 376.453 3.545 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccccc1OC(F)(F)F ZINC000431625851 835331724 /nfs/dbraw/zinc/33/17/24/835331724.db2.gz QWPWHOWTMAGUNM-CYBMUJFWSA-N -1 3 381.322 3.870 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cnn(-c3ccccc3)c2)no1 ZINC000685687422 835336155 /nfs/dbraw/zinc/33/61/55/835336155.db2.gz GDENRNGCCGPEPJ-UHFFFAOYSA-N -1 3 383.770 3.967 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1noc(-c2ccccc2)n1 ZINC000509861256 844044241 /nfs/dbraw/zinc/04/42/41/844044241.db2.gz BVDICAIZZQKISU-LBPRGKRZSA-N -1 3 385.470 3.991 20 0 GHADHM O=C(Cc1cccc(N2CCCC2=O)c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000785189345 835368349 /nfs/dbraw/zinc/36/83/49/835368349.db2.gz BWDLQBWGCVGTSJ-UHFFFAOYSA-N -1 3 392.377 3.623 20 0 GHADHM CN(Cc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1)C(=O)OC(C)(C)C ZINC000274800190 835383699 /nfs/dbraw/zinc/38/36/99/835383699.db2.gz QTMKNZFTOZQMIZ-MRXNPFEDSA-N -1 3 379.457 3.633 20 0 GHADHM CN(Cc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1)C(=O)OC(C)(C)C ZINC000274800190 835383707 /nfs/dbraw/zinc/38/37/07/835383707.db2.gz QTMKNZFTOZQMIZ-MRXNPFEDSA-N -1 3 379.457 3.633 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429942884 844047942 /nfs/dbraw/zinc/04/79/42/844047942.db2.gz MPTHWYAAFAHWLI-GXTWGEPZSA-N -1 3 397.342 3.705 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C)CCCCCC2)no1 ZINC000030355494 835424623 /nfs/dbraw/zinc/42/46/23/835424623.db2.gz NLQBATYSIVCVHA-UHFFFAOYSA-N -1 3 383.901 3.868 20 0 GHADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)NCc1ncccc1[O-] ZINC000471178765 835475774 /nfs/dbraw/zinc/47/57/74/835475774.db2.gz XUZRXQUFTIOGHY-UHFFFAOYSA-N -1 3 379.464 3.901 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(C)(C)CC2)ccc1F ZINC001267335699 835654254 /nfs/dbraw/zinc/65/42/54/835654254.db2.gz FQFJEQXJAIYHMB-UHFFFAOYSA-N -1 3 398.544 3.849 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1noc(Cc2ccccc2)n1 ZINC000509873892 844079076 /nfs/dbraw/zinc/07/90/76/844079076.db2.gz ZXIFSFGFHQVNON-CYBMUJFWSA-N -1 3 399.497 3.915 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000063304911 835800649 /nfs/dbraw/zinc/80/06/49/835800649.db2.gz QQOZVTKJEDMLPX-UHFFFAOYSA-N -1 3 386.395 3.995 20 0 GHADHM O=C(NC1(C2CCC2)CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001299154386 835847398 /nfs/dbraw/zinc/84/73/98/835847398.db2.gz ZONMZMUBBJPZTP-UHFFFAOYSA-N -1 3 375.266 3.743 20 0 GHADHM COc1ccc(COCCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000134596706 835865117 /nfs/dbraw/zinc/86/51/17/835865117.db2.gz KORITFVKYZWOET-UHFFFAOYSA-N -1 3 380.238 3.709 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1ccc(C)c(C)c1 ZINC001211615074 835936438 /nfs/dbraw/zinc/93/64/38/835936438.db2.gz WGKQQGXSBYTXEZ-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCCC3(F)F)s2)cs1 ZINC000650176496 836029278 /nfs/dbraw/zinc/02/92/78/836029278.db2.gz UPTZPRKPIJOEDC-SNVBAGLBSA-N -1 3 378.491 3.894 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151045361 836046378 /nfs/dbraw/zinc/04/63/78/836046378.db2.gz RTPSKEQKNIZHGB-WDEREUQCSA-N -1 3 382.844 3.593 20 0 GHADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@@H]1c1ccccc1 ZINC000429970019 844121998 /nfs/dbraw/zinc/12/19/98/844121998.db2.gz AZKXSDMXIWXATL-PXAZEXFGSA-N -1 3 385.265 3.744 20 0 GHADHM Cc1cc2c(o1)c(C(=O)Nc1ccc(-c3nnn[n-]3)cc1)ccc2Br ZINC000467942264 844137370 /nfs/dbraw/zinc/13/73/70/844137370.db2.gz IAEXYDVPPHMVLG-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc2c(o1)c(C(=O)Nc1ccc(-c3nn[n-]n3)cc1)ccc2Br ZINC000467942264 844137373 /nfs/dbraw/zinc/13/73/73/844137373.db2.gz IAEXYDVPPHMVLG-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000511497746 836240956 /nfs/dbraw/zinc/24/09/56/836240956.db2.gz ZQSVSHNOHUOBBA-CQSZACIVSA-N -1 3 377.824 3.864 20 0 GHADHM CCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000511354993 836352957 /nfs/dbraw/zinc/35/29/57/836352957.db2.gz JNBWHEORHQZIBQ-UHFFFAOYSA-N -1 3 387.436 3.769 20 0 GHADHM C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174209613 836399422 /nfs/dbraw/zinc/39/94/22/836399422.db2.gz XZZUUWGMUSEVMU-LLVKDONJSA-N -1 3 394.240 3.819 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1nc(Cl)ccc1Cl ZINC000178144734 836411520 /nfs/dbraw/zinc/41/15/20/836411520.db2.gz IHEAJOAFQNHNCR-UHFFFAOYSA-N -1 3 382.638 3.934 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4c3CCCC4)cc2)CCO1 ZINC000748094365 836460043 /nfs/dbraw/zinc/46/00/43/836460043.db2.gz BOYGABOMXJOZBT-INIZCTEOSA-N -1 3 386.517 3.591 20 0 GHADHM CS(=O)(=O)c1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCC4)s1 ZINC000414197483 836487119 /nfs/dbraw/zinc/48/71/19/836487119.db2.gz WNPPJYAKOIFDEO-UHFFFAOYSA-N -1 3 380.516 3.798 20 0 GHADHM CC1(C)CC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000570303880 836663462 /nfs/dbraw/zinc/66/34/62/836663462.db2.gz DPTZLMZCYQGLQD-QGZVFWFLSA-N -1 3 376.453 3.545 20 0 GHADHM CCOC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(F)c1 ZINC000472577857 836939798 /nfs/dbraw/zinc/93/97/98/836939798.db2.gz DASZDDMFKFXLQD-HXUWFJFHSA-N -1 3 397.402 3.727 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OCC ZINC000025869302 836952255 /nfs/dbraw/zinc/95/22/55/836952255.db2.gz LGGSYVSKEDRXBQ-AWEZNQCLSA-N -1 3 380.444 3.817 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1OC ZINC000175775925 836997567 /nfs/dbraw/zinc/99/75/67/836997567.db2.gz OBUOEQXMPJIZFA-UHFFFAOYSA-N -1 3 389.395 4.000 20 0 GHADHM CC[C@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])CC(F)(F)F ZINC000414000423 837059030 /nfs/dbraw/zinc/05/90/30/837059030.db2.gz DZVRBWUNVXTVQY-NSHDSACASA-N -1 3 399.369 3.649 20 0 GHADHM O=c1nc(CSC[C@@H]2CCNC(=O)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000419354248 844240269 /nfs/dbraw/zinc/24/02/69/844240269.db2.gz KVVYIXKLGASTGB-NSHDSACASA-N -1 3 389.502 3.806 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1c(Cl)cccc1Cl ZINC000548983860 837193166 /nfs/dbraw/zinc/19/31/66/837193166.db2.gz DZOIRKDKOYFCBX-SECBINFHSA-N -1 3 392.242 3.802 20 0 GHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000613110819 837258892 /nfs/dbraw/zinc/25/88/92/837258892.db2.gz QWQSPHULTPZDSO-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000579916047 837326137 /nfs/dbraw/zinc/32/61/37/837326137.db2.gz GWCWLVKAKHUXAZ-HXUWFJFHSA-N -1 3 377.444 3.820 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H](C2CC2)C1 ZINC000685857421 837369115 /nfs/dbraw/zinc/36/91/15/837369115.db2.gz AUWYTZJDGWBICT-IRLDBZIGSA-N -1 3 392.499 3.902 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@@H]4CCCC[C@@H]4C3)nc(=O)c2c1C ZINC000177544764 838003614 /nfs/dbraw/zinc/00/36/14/838003614.db2.gz AXZMJPQYPHNWQV-MCIONIFRSA-N -1 3 389.521 3.653 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151045499 838180610 /nfs/dbraw/zinc/18/06/10/838180610.db2.gz RTPSKEQKNIZHGB-MNOVXSKESA-N -1 3 382.844 3.593 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)n2)cc1C ZINC000031226704 838246848 /nfs/dbraw/zinc/24/68/48/838246848.db2.gz PJTDSRIWVQQLGE-UHFFFAOYSA-N -1 3 382.489 3.617 20 0 GHADHM COc1ccc(N(Cc2cccs2)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000181985952 838311314 /nfs/dbraw/zinc/31/13/14/838311314.db2.gz BWMJQUPCUJCDNG-UHFFFAOYSA-N -1 3 394.456 3.591 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1[O-] ZINC000530957677 838439299 /nfs/dbraw/zinc/43/92/99/838439299.db2.gz NPIAJASNYLSUKS-UHFFFAOYSA-N -1 3 387.439 3.805 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000031716366 838461334 /nfs/dbraw/zinc/46/13/34/838461334.db2.gz JONGONTXKYFMKP-AWEZNQCLSA-N -1 3 378.469 3.743 20 0 GHADHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3F)ccc21 ZINC000031721588 838471270 /nfs/dbraw/zinc/47/12/70/838471270.db2.gz PVEJEVBLTLUXKM-UHFFFAOYSA-N -1 3 398.415 3.738 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC000179533806 838545081 /nfs/dbraw/zinc/54/50/81/838545081.db2.gz RCYJONAEPQZQDP-KGLIPLIRSA-N -1 3 393.443 3.863 20 0 GHADHM COCCn1nc(C)c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1C ZINC000179760038 838551827 /nfs/dbraw/zinc/55/18/27/838551827.db2.gz KSHYMRFUXLDRMH-UHFFFAOYSA-N -1 3 379.460 3.695 20 0 GHADHM O=C([O-])c1cccc(Br)c1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000659796223 838679069 /nfs/dbraw/zinc/67/90/69/838679069.db2.gz GBGKIODPPGHGNS-WMLDXEAASA-N -1 3 382.298 3.520 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3csc(N4CCCCC4)n3)c2)n1 ZINC000892736338 838924983 /nfs/dbraw/zinc/92/49/83/838924983.db2.gz GEIRAAMHVPFLNY-UHFFFAOYSA-N -1 3 396.472 3.824 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)N1CCCc2c(=O)[n-]cnc21 ZINC000893212863 838929323 /nfs/dbraw/zinc/92/93/23/838929323.db2.gz IIZLAKRRPCZIID-UHFFFAOYSA-N -1 3 390.281 3.637 20 0 GHADHM C[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183504785 839001717 /nfs/dbraw/zinc/00/17/17/839001717.db2.gz QJKRHOWWHYZWLU-LAUBAEHRSA-N -1 3 380.488 3.902 20 0 GHADHM CCCN(CC(F)F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183539311 839002501 /nfs/dbraw/zinc/00/25/01/839002501.db2.gz YIMRIOWJQIMVAB-SFHVURJKSA-N -1 3 390.430 3.757 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000544101759 839095322 /nfs/dbraw/zinc/09/53/22/839095322.db2.gz YUYZZDXAGXJABC-QWRGUYRKSA-N -1 3 396.734 3.586 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000128113179 839232530 /nfs/dbraw/zinc/23/25/30/839232530.db2.gz WHCAUAXSQIRVEG-UHFFFAOYSA-N -1 3 383.795 3.944 20 0 GHADHM CCC(CC)(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(OC)c(OC)c1 ZINC000580326475 839285639 /nfs/dbraw/zinc/28/56/39/839285639.db2.gz IHRWHTUBQLBRIL-UHFFFAOYSA-N -1 3 399.491 3.565 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000613671093 839426304 /nfs/dbraw/zinc/42/63/04/839426304.db2.gz NYIDPYCBJDPEBH-BBRMVZONSA-N -1 3 393.484 3.653 20 0 GHADHM Cc1nc([N-]C(=O)c2sc(N3CCCC3)nc2Cl)nn1-c1ccccc1 ZINC000891268181 839446690 /nfs/dbraw/zinc/44/66/90/839446690.db2.gz QJMPMHMPZJVRKZ-UHFFFAOYSA-N -1 3 388.884 3.538 20 0 GHADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000416587257 839469463 /nfs/dbraw/zinc/46/94/63/839469463.db2.gz HXPLKYCWGRPBJD-XPTSAGLGSA-N -1 3 396.734 3.584 20 0 GHADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000580456911 839585082 /nfs/dbraw/zinc/58/50/82/839585082.db2.gz WXDUFVULCYIFHG-LPHOPBHVSA-N -1 3 386.879 3.636 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CCOCC1)c1cccc(Cl)c1F ZINC000580523305 839740063 /nfs/dbraw/zinc/74/00/63/839740063.db2.gz IOQUBSZCRIZMLK-UHFFFAOYSA-N -1 3 383.872 3.549 20 0 GHADHM O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001167417064 839761231 /nfs/dbraw/zinc/76/12/31/839761231.db2.gz SCUOBVQMEYOHTP-OAHLLOKOSA-N -1 3 392.308 3.845 20 0 GHADHM C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc([O-])c(Br)c2)C[C@H](C)O1 ZINC000549289215 839836337 /nfs/dbraw/zinc/83/63/37/839836337.db2.gz YTOROQFMPACKRC-CLLJXQQHSA-N -1 3 385.302 3.548 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000050363374 839939141 /nfs/dbraw/zinc/93/91/41/839939141.db2.gz RDOJCDFOMSAJSN-FQEVSTJZSA-N -1 3 383.444 3.702 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc32)c1[O-] ZINC000580648502 839955824 /nfs/dbraw/zinc/95/58/24/839955824.db2.gz ATJJCXKQYHOACV-INIZCTEOSA-N -1 3 396.472 3.515 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000193821471 840188142 /nfs/dbraw/zinc/18/81/42/840188142.db2.gz FHQACTXAVCLZBD-UHFFFAOYSA-N -1 3 389.202 3.606 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](C)c3nc(Cc4ccccc4)no3)cc(=O)oc12 ZINC000185388026 840208582 /nfs/dbraw/zinc/20/85/82/840208582.db2.gz JNAWHDHAEVSHAG-CQSZACIVSA-N -1 3 391.427 3.632 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(Cl)n1 ZINC000193980985 840219430 /nfs/dbraw/zinc/21/94/30/840219430.db2.gz HWVQHGWPNRCDDF-GFCCVEGCSA-N -1 3 378.803 3.668 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3[nH]c4ccc(Br)cc4c3C2)n1 ZINC000684093929 840325653 /nfs/dbraw/zinc/32/56/53/840325653.db2.gz BAEQTNUURBMEKA-LLVKDONJSA-N -1 3 387.281 3.854 20 0 GHADHM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000029324363 840335932 /nfs/dbraw/zinc/33/59/32/840335932.db2.gz JSNXPXBNDWBSIW-UHFFFAOYSA-N -1 3 375.494 3.781 20 0 GHADHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500418569 840452796 /nfs/dbraw/zinc/45/27/96/840452796.db2.gz CFTSQHIUMKJLFD-FZMZJTMJSA-N -1 3 386.926 3.699 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000651539442 840637929 /nfs/dbraw/zinc/63/79/29/840637929.db2.gz CSGNYRPJGVTIRM-LSDHHAIUSA-N -1 3 392.318 3.918 20 0 GHADHM Cc1cc(O)ccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183899038 840717138 /nfs/dbraw/zinc/71/71/38/840717138.db2.gz CZGCARBYBWVSLC-OAQYLSRUSA-N -1 3 390.439 3.906 20 0 GHADHM O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047268088 840724298 /nfs/dbraw/zinc/72/42/98/840724298.db2.gz JYJDTJCJLACJPS-UHFFFAOYSA-N -1 3 393.827 3.860 20 0 GHADHM CC(=O)Nc1cccc2c1CCN(Cc1cccc([O-])c1Br)C2 ZINC000656422672 840848986 /nfs/dbraw/zinc/84/89/86/840848986.db2.gz PRFFPEURQLZDBC-UHFFFAOYSA-N -1 3 375.266 3.671 20 0 GHADHM Cc1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)N2CCCC2)cc1 ZINC000176151188 844581851 /nfs/dbraw/zinc/58/18/51/844581851.db2.gz JCQNUMSBMLFIFJ-AWEZNQCLSA-N -1 3 394.591 3.555 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cccc2cc[nH]c21 ZINC000610490369 840948089 /nfs/dbraw/zinc/94/80/89/840948089.db2.gz NLSJEGXEPBBUAX-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM O=C([O-])COc1ccc(CCNCc2c(F)cccc2OC(F)(F)F)cc1 ZINC000417539864 840986394 /nfs/dbraw/zinc/98/63/94/840986394.db2.gz WBWIRUSRLRNKHN-UHFFFAOYSA-N -1 3 387.329 3.520 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3nc(C)sc3c2)cc1OC ZINC000417554008 840996280 /nfs/dbraw/zinc/99/62/80/840996280.db2.gz IPNNTEQYMKJZDJ-INIZCTEOSA-N -1 3 386.473 3.928 20 0 GHADHM COc1ccccc1C[C@H](CNCc1c(F)cccc1Br)C(=O)[O-] ZINC000417555036 840997155 /nfs/dbraw/zinc/99/71/55/840997155.db2.gz DHDIHIJXQIHSSV-CYBMUJFWSA-N -1 3 396.256 3.630 20 0 GHADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1Cl ZINC000549915140 844596655 /nfs/dbraw/zinc/59/66/55/844596655.db2.gz QJTPEDZXFZLQJQ-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM Cc1ccccc1-n1cc(CN[C@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)nn1 ZINC000417579011 841021566 /nfs/dbraw/zinc/02/15/66/841021566.db2.gz OTTNLPHRMONZSF-WWFGTJDESA-N -1 3 394.519 3.725 20 0 GHADHM CCCc1csc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])n1 ZINC000417608123 841053729 /nfs/dbraw/zinc/05/37/29/841053729.db2.gz OCDNWXCPCLVWBB-CQSZACIVSA-N -1 3 383.311 3.644 20 0 GHADHM O=C([O-])CC[C@H]1CCCC[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000417628221 841067550 /nfs/dbraw/zinc/06/75/50/841067550.db2.gz OZRMWCCOPUKANR-WBMJQRKESA-N -1 3 380.851 3.573 20 0 GHADHM O=C([O-])CC[C@@H]1CCCC[C@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417633446 841071948 /nfs/dbraw/zinc/07/19/48/841071948.db2.gz UILVIEYHHPUCQS-YVEFUNNKSA-N -1 3 380.851 3.573 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000660743434 841148136 /nfs/dbraw/zinc/14/81/36/841148136.db2.gz CGUXSSNKOGPVFY-NRFANRHFSA-N -1 3 398.551 3.952 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429844624 844615227 /nfs/dbraw/zinc/61/52/27/844615227.db2.gz LOHABLSHMRJLMW-WCQYABFASA-N -1 3 396.734 3.584 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000429840410 844622778 /nfs/dbraw/zinc/62/27/78/844622778.db2.gz BJVBLXVKNAHWBY-CYBMUJFWSA-N -1 3 378.277 3.951 20 0 GHADHM O=C(Nc1nc2cccnc2[nH]1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430592242 841300029 /nfs/dbraw/zinc/30/00/29/841300029.db2.gz MBWCUSNDZHARFC-UHFFFAOYSA-N -1 3 397.394 3.844 20 0 GHADHM C[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704775 841385904 /nfs/dbraw/zinc/38/59/04/841385904.db2.gz NJTPJZPISXXVIJ-HEZAVNPASA-N -1 3 395.503 3.841 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cn3ncc4ccccc43)nc(=O)c2c1C ZINC000730639562 861201075 /nfs/dbraw/zinc/20/10/75/861201075.db2.gz WFEVJTOMIPVAKC-LLVKDONJSA-N -1 3 382.445 3.668 20 0 GHADHM CC[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000184088710 841522241 /nfs/dbraw/zinc/52/22/41/841522241.db2.gz JXTYFIKTONRQPJ-UXHICEINSA-N -1 3 398.528 3.607 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Sc2ccccc2)c1)[C@H]1CCOC1 ZINC000656623878 841596462 /nfs/dbraw/zinc/59/64/62/841596462.db2.gz VNEYCPRWYMDVKE-KXBFYZLASA-N -1 3 393.530 3.631 20 0 GHADHM C[C@@H](N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1(C)CC1 ZINC000184153621 841853691 /nfs/dbraw/zinc/85/36/91/841853691.db2.gz DVUKZJAENKPALY-UZLBHIALSA-N -1 3 380.488 3.900 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000581638616 841860760 /nfs/dbraw/zinc/86/07/60/841860760.db2.gz BQNPZHQFLTWTOB-MRXNPFEDSA-N -1 3 383.778 3.861 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000656757425 841891224 /nfs/dbraw/zinc/89/12/24/841891224.db2.gz NPFJMTKANQMVPD-CVEARBPZSA-N -1 3 394.393 3.746 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1cscc1C ZINC000487358353 841953027 /nfs/dbraw/zinc/95/30/27/841953027.db2.gz CPPNXPMGYIRHSW-UHFFFAOYSA-N -1 3 381.500 3.536 20 0 GHADHM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000909373744 842094691 /nfs/dbraw/zinc/09/46/91/842094691.db2.gz BMOMVSJWGMMASO-NRFANRHFSA-N -1 3 380.488 3.927 20 0 GHADHM CC(C)(C)OC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000022613947 842130314 /nfs/dbraw/zinc/13/03/14/842130314.db2.gz QBPPWXJKWQWUPV-UHFFFAOYSA-N -1 3 392.868 3.608 20 0 GHADHM CCOc1ccc([C@@H](NC(=O)NCc2ncccc2[O-])c2ccccc2)cc1 ZINC000471690129 842164560 /nfs/dbraw/zinc/16/45/60/842164560.db2.gz XCPPKVXKPMVANY-NRFANRHFSA-N -1 3 377.444 3.775 20 0 GHADHM CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]c2ccnc(Cl)c2F)cs1 ZINC000891506755 842222658 /nfs/dbraw/zinc/22/26/58/842222658.db2.gz LFMUIMLRYOVBPG-UHFFFAOYSA-N -1 3 386.836 3.608 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000520912063 842306524 /nfs/dbraw/zinc/30/65/24/842306524.db2.gz SXEHNODLRXIVLT-OAHLLOKOSA-N -1 3 395.286 3.566 20 0 GHADHM CCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1ccccc1F ZINC000599543281 861308831 /nfs/dbraw/zinc/30/88/31/861308831.db2.gz OWYMAIFUQSCUMY-UHFFFAOYSA-N -1 3 389.452 3.635 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC001211681529 842489021 /nfs/dbraw/zinc/48/90/21/842489021.db2.gz IACVZJFROIODOA-LSDHHAIUSA-N -1 3 395.443 3.640 20 0 GHADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000083907744 842570878 /nfs/dbraw/zinc/57/08/78/842570878.db2.gz SGSRBEUGFYNQHF-SECBINFHSA-N -1 3 399.148 3.782 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1ccc(Br)s1 ZINC000511958814 842574547 /nfs/dbraw/zinc/57/45/47/842574547.db2.gz CFXXQNBBVGCCHU-LLVKDONJSA-N -1 3 376.272 3.616 20 0 GHADHM CC(C)C[C@H](CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)CC(=O)[O-] ZINC000663139299 842580213 /nfs/dbraw/zinc/58/02/13/842580213.db2.gz YXUGTYKWEVLVKO-NQIIRXRSSA-N -1 3 388.552 3.583 20 0 GHADHM CCCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000024234485 842586838 /nfs/dbraw/zinc/58/68/38/842586838.db2.gz PMFROGPHTPCQHN-UHFFFAOYSA-N -1 3 384.723 3.970 20 0 GHADHM O=C([O-])c1cccc2c1CN(CCOc1ccc(Br)cc1)CC2 ZINC000652488494 842625824 /nfs/dbraw/zinc/62/58/24/842625824.db2.gz UXGVGOPRRSYUGW-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H]1C1CC1 ZINC000652515308 842651159 /nfs/dbraw/zinc/65/11/59/842651159.db2.gz XSXYKRNKEMFXMR-DLBZAZTESA-N -1 3 376.909 3.930 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)N=c1cc(-c3cc(Cl)ccc3OC)[n-][nH]1)CC2 ZINC000432503179 842724615 /nfs/dbraw/zinc/72/46/15/842724615.db2.gz DQORYHUCFKEOGC-OAHLLOKOSA-N -1 3 397.862 3.838 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3OC(C)C)c2)n1 ZINC000581958627 842818084 /nfs/dbraw/zinc/81/80/84/842818084.db2.gz JIASQRIRXNDTMR-UHFFFAOYSA-N -1 3 378.432 3.846 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000512190558 842862181 /nfs/dbraw/zinc/86/21/81/842862181.db2.gz YMDPVGVBJAGXQQ-UHFFFAOYSA-N -1 3 387.443 3.921 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000510520618 842893280 /nfs/dbraw/zinc/89/32/80/842893280.db2.gz YUKGPKDSVLJZIH-CQSZACIVSA-N -1 3 396.242 3.674 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000663261530 842939624 /nfs/dbraw/zinc/93/96/24/842939624.db2.gz KKDXVCLWVMWFOR-QGZVFWFLSA-N -1 3 379.382 3.616 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(CCC(=O)[O-])CC1 ZINC000662217651 842944908 /nfs/dbraw/zinc/94/49/08/842944908.db2.gz HTACKIANJUCYOO-DLBZAZTESA-N -1 3 386.536 3.708 20 0 GHADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000186332148 843070786 /nfs/dbraw/zinc/07/07/86/843070786.db2.gz KBUHAMGKVJPOHB-UHFFFAOYSA-N -1 3 387.501 3.847 20 0 GHADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000186718190 843160548 /nfs/dbraw/zinc/16/05/48/843160548.db2.gz BXPTYDMPKFZKES-UHFFFAOYSA-N -1 3 378.444 3.514 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000535654489 843209696 /nfs/dbraw/zinc/20/96/96/843209696.db2.gz GVMSIPNHWTUVDP-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(Cn4cccn4)o3)s2)cc1 ZINC000730991492 861394089 /nfs/dbraw/zinc/39/40/89/861394089.db2.gz KRBHWFLGHHQNRK-UHFFFAOYSA-N -1 3 379.445 3.527 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C(C)=C/c2ccc(F)cc2)cc1OC ZINC000176081638 843256480 /nfs/dbraw/zinc/25/64/80/843256480.db2.gz QIEMDSOHGHFXQU-ACCUITESSA-N -1 3 392.452 3.638 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ncc(Br)s2)[n-]c1-c1ccccc1 ZINC000432649319 843360407 /nfs/dbraw/zinc/36/04/07/843360407.db2.gz OQQLRLFUNSOJJS-UHFFFAOYSA-N -1 3 398.307 3.578 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ncc(Br)s2)nc1-c1ccccc1 ZINC000432649319 843360420 /nfs/dbraw/zinc/36/04/20/843360420.db2.gz OQQLRLFUNSOJJS-UHFFFAOYSA-N -1 3 398.307 3.578 20 0 GHADHM COCc1cccc(OCC2(CSc3ncc(C(=O)OC)[n-]3)CCC2)c1 ZINC000432660057 843373101 /nfs/dbraw/zinc/37/31/01/843373101.db2.gz REQXNZMMHRUAHH-UHFFFAOYSA-N -1 3 376.478 3.684 20 0 GHADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000066753055 843377088 /nfs/dbraw/zinc/37/70/88/843377088.db2.gz IXQOQWAVQHOULI-UHFFFAOYSA-N -1 3 386.458 3.563 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000108076250 843456125 /nfs/dbraw/zinc/45/61/25/843456125.db2.gz DFTFXFUMEKJVGY-HOTGVXAUSA-N -1 3 392.496 3.857 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000091924311 843468721 /nfs/dbraw/zinc/46/87/21/843468721.db2.gz RARHUNBYNSHJJX-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2cc(=O)[nH]c3cccnc32)CC1 ZINC000663393283 843477003 /nfs/dbraw/zinc/47/70/03/843477003.db2.gz CGNQBRVYMZMTEV-UHFFFAOYSA-N -1 3 398.850 3.550 20 0 GHADHM COc1cncc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Br)c1 ZINC000500474417 843502125 /nfs/dbraw/zinc/50/21/25/843502125.db2.gz HXEZQFRGGHCWNJ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(=O)OC)cc3c2)cc1 ZINC000603976485 843596264 /nfs/dbraw/zinc/59/62/64/843596264.db2.gz CFNDOIKTHFFFQR-UHFFFAOYSA-N -1 3 389.429 3.809 20 0 GHADHM CSC[C@@H](C)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000500585539 843671293 /nfs/dbraw/zinc/67/12/93/843671293.db2.gz CHOCNYRYYLAJOG-MRVPVSSYSA-N -1 3 388.718 3.852 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000091923886 843683055 /nfs/dbraw/zinc/68/30/55/843683055.db2.gz ZCYZTCVYSDKCAV-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(N(C)C)cc3)cc2)n1 ZINC000432762774 843746302 /nfs/dbraw/zinc/74/63/02/843746302.db2.gz JYPINCYQOCHVHK-UHFFFAOYSA-N -1 3 386.477 3.727 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnn(-c3ccccc3)c2)[nH][n-]1 ZINC000512849620 843882580 /nfs/dbraw/zinc/88/25/80/843882580.db2.gz OWRUYNBSAMTPRS-UHFFFAOYSA-N -1 3 393.834 3.599 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000433229034 843891402 /nfs/dbraw/zinc/89/14/02/843891402.db2.gz QOJILDFONXXTIO-UHFFFAOYSA-N -1 3 390.378 3.993 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000599674803 861471823 /nfs/dbraw/zinc/47/18/23/861471823.db2.gz IUPIQUYKJUPGHL-LBPRGKRZSA-N -1 3 398.297 3.739 20 0 GHADHM COc1cccc(C2(NC(=O)c3cc(SC)ccc3[O-])CCOCC2)c1F ZINC000614119066 844639760 /nfs/dbraw/zinc/63/97/60/844639760.db2.gz XWZKZZAHTODKHL-UHFFFAOYSA-N -1 3 391.464 3.698 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(C)ccc(F)c2Br)c(=O)[n-]1 ZINC000411022159 844842228 /nfs/dbraw/zinc/84/22/28/844842228.db2.gz XTCGGECWEAOITL-UHFFFAOYSA-N -1 3 382.233 3.580 20 0 GHADHM O=C(NCCCCCCCc1nc(-c2ccncc2)no1)c1ccccc1[O-] ZINC001211750342 844934601 /nfs/dbraw/zinc/93/46/01/844934601.db2.gz XYWVFAONZBNEFN-UHFFFAOYSA-N -1 3 380.448 3.760 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000471991616 845071326 /nfs/dbraw/zinc/07/13/26/845071326.db2.gz JZLZASPLTQGAFU-FQEVSTJZSA-N -1 3 377.444 3.545 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000028494782 861529839 /nfs/dbraw/zinc/52/98/39/861529839.db2.gz PDIGCOBGBMWLST-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000481505384 861538852 /nfs/dbraw/zinc/53/88/52/861538852.db2.gz ZCINEIXGHHPICT-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000262058332 845223884 /nfs/dbraw/zinc/22/38/84/845223884.db2.gz BHUYKMVVPALEAH-KSFYIVLOSA-N -1 3 380.444 3.604 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1Cl)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000866855650 845420188 /nfs/dbraw/zinc/42/01/88/845420188.db2.gz RMBYNOPOVNUZHU-UHFFFAOYSA-N -1 3 388.795 3.574 20 0 GHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000433126617 845463003 /nfs/dbraw/zinc/46/30/03/845463003.db2.gz PCGXDGIYUKJHKN-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)sc1Br ZINC000433840111 845474783 /nfs/dbraw/zinc/47/47/83/845474783.db2.gz CDMWPNFGTICJGU-SNVBAGLBSA-N -1 3 390.349 3.944 20 0 GHADHM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000277273082 845484409 /nfs/dbraw/zinc/48/44/09/845484409.db2.gz BPFIFWCDVWYZRV-OAHLLOKOSA-N -1 3 389.839 3.598 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc2n[nH]cc2c1 ZINC000511014352 845574515 /nfs/dbraw/zinc/57/45/15/845574515.db2.gz MQSLXTLNIMWTRE-SSDOTTSWSA-N -1 3 376.290 3.971 20 0 GHADHM Cn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1cccs1 ZINC000179458409 861588998 /nfs/dbraw/zinc/58/89/98/861588998.db2.gz IMWOHBFYAOVJLE-UHFFFAOYSA-N -1 3 380.882 3.633 20 0 GHADHM O=c1[n-]c(SCCOCC2CCCC2)nc2c1cnn2Cc1ccccc1 ZINC000657283237 845661887 /nfs/dbraw/zinc/66/18/87/845661887.db2.gz CFBIOHALNGBJOQ-UHFFFAOYSA-N -1 3 384.505 3.879 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C2CCC1CC2 ZINC000555695025 861594872 /nfs/dbraw/zinc/59/48/72/861594872.db2.gz XBSPKLAHRZCOAM-UHFFFAOYSA-N -1 3 381.657 3.711 20 0 GHADHM Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472092216 845794132 /nfs/dbraw/zinc/79/41/32/845794132.db2.gz DWCIARVVZFLSMB-UHFFFAOYSA-N -1 3 399.447 3.853 20 0 GHADHM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NCc1ccc([O-])c(F)c1 ZINC000157225037 845887035 /nfs/dbraw/zinc/88/70/35/845887035.db2.gz DWRYRPBVCIFIEJ-UHFFFAOYSA-N -1 3 385.439 3.659 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1cc(SC)ccc1[O-])c1cccc(OC)c1 ZINC001141913632 861643640 /nfs/dbraw/zinc/64/36/40/861643640.db2.gz PROJUMUJNFSGQK-KRWDZBQOSA-N -1 3 389.473 3.547 20 0 GHADHM COC(=O)c1[n-]c(=NCc2cccc(NC(=O)c3ccc(F)cc3)c2)sc1C ZINC000434087968 846248312 /nfs/dbraw/zinc/24/83/12/846248312.db2.gz TWQJCOKKGGTFCE-UHFFFAOYSA-N -1 3 399.447 3.664 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(COCCOc3ccccc3)c2)[n-]1 ZINC000431347845 846250093 /nfs/dbraw/zinc/25/00/93/846250093.db2.gz HXNMOEMKTCJZSN-UHFFFAOYSA-N -1 3 394.427 3.649 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513751952 846387157 /nfs/dbraw/zinc/38/71/57/846387157.db2.gz LZIPHEYWRRUHRX-UHFFFAOYSA-N -1 3 397.232 3.734 20 0 GHADHM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179642285 861680011 /nfs/dbraw/zinc/68/00/11/861680011.db2.gz KNMONRILOUXGMF-SCLBCKFNSA-N -1 3 386.879 3.984 20 0 GHADHM O=c1cc(CSCCOCC(F)(F)C(F)F)nc(-c2ccccc2)[n-]1 ZINC000419460001 846579824 /nfs/dbraw/zinc/57/98/24/846579824.db2.gz FEBGLYFYIPYRCV-UHFFFAOYSA-N -1 3 376.375 3.999 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000179679786 861701516 /nfs/dbraw/zinc/70/15/16/861701516.db2.gz YQJFTSPZSLTFLK-WBVHZDCISA-N -1 3 382.794 3.653 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000472193754 846653210 /nfs/dbraw/zinc/65/32/10/846653210.db2.gz MVPCCDULTIVBAB-MRXNPFEDSA-N -1 3 394.244 3.639 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)nc(Cl)c3)cc2)n1 ZINC000161195292 846705509 /nfs/dbraw/zinc/70/55/09/846705509.db2.gz MURRBYRAUULCEB-UHFFFAOYSA-N -1 3 375.215 3.699 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCc4cccc(O)c43)c2)n1 ZINC000582278390 846765698 /nfs/dbraw/zinc/76/56/98/846765698.db2.gz FHUYEDVBWDLZQQ-QGZVFWFLSA-N -1 3 375.428 3.786 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)c[n-]c12 ZINC000525619352 846839615 /nfs/dbraw/zinc/83/96/15/846839615.db2.gz JQLUJRKVKVAUCT-UHFFFAOYSA-N -1 3 376.290 3.549 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000892258203 847007030 /nfs/dbraw/zinc/00/70/30/847007030.db2.gz QPBPKRYLBNKYRA-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)[n-]1 ZINC000179764684 861762215 /nfs/dbraw/zinc/76/22/15/861762215.db2.gz SMAJXSPNDHTOSS-NSHDSACASA-N -1 3 387.333 3.510 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000501827656 847217093 /nfs/dbraw/zinc/21/70/93/847217093.db2.gz QGMBKMCEWYATHZ-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM CCOC(=O)N1CCc2c(sc3[n-]c(-c4ccc(Cl)cn4)nc(=O)c23)C1 ZINC000273031676 847232416 /nfs/dbraw/zinc/23/24/16/847232416.db2.gz YCMDKDMOBSTBDQ-UHFFFAOYSA-N -1 3 390.852 3.627 20 0 GHADHM COc1ccc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([O-])c1 ZINC000277600060 847239902 /nfs/dbraw/zinc/23/99/02/847239902.db2.gz ONNUACKYVVETKV-UHFFFAOYSA-N -1 3 395.377 3.543 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000273114660 847254690 /nfs/dbraw/zinc/25/46/90/847254690.db2.gz BNQUASJZANDRNT-UHFFFAOYSA-N -1 3 399.491 3.707 20 0 GHADHM Cc1ccc(-c2csc3ncnc(N4CCc5c(nc[n-]c5=O)C4)c23)cc1 ZINC000582443845 847256051 /nfs/dbraw/zinc/25/60/51/847256051.db2.gz HOTJWLBMIKARPJ-UHFFFAOYSA-N -1 3 375.457 3.725 20 0 GHADHM CC(C)c1ccc(-c2nc(C(=O)N3CCc4c(=O)[n-]cnc4C3)cs2)cc1 ZINC000273216884 847274919 /nfs/dbraw/zinc/27/49/19/847274919.db2.gz KNEYJAVUIZEXTN-UHFFFAOYSA-N -1 3 380.473 3.628 20 0 GHADHM CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCc4c(nc[n-]c4=O)C3)o2)cc1 ZINC000273305123 847300908 /nfs/dbraw/zinc/30/09/08/847300908.db2.gz WVIYJLHBADEJPU-UHFFFAOYSA-N -1 3 377.444 3.938 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000420635220 847343364 /nfs/dbraw/zinc/34/33/64/847343364.db2.gz LYKFTVTWERDUQE-ZBFHGGJFSA-N -1 3 398.507 3.611 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001299812385 847425772 /nfs/dbraw/zinc/42/57/72/847425772.db2.gz AXCYGRLHGYNCEU-UHFFFAOYSA-N -1 3 385.464 3.891 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001299812385 847425776 /nfs/dbraw/zinc/42/57/76/847425776.db2.gz AXCYGRLHGYNCEU-UHFFFAOYSA-N -1 3 385.464 3.891 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2ccc(OCc3ccccn3)cc2)[nH][n-]1 ZINC000503257428 847529642 /nfs/dbraw/zinc/52/96/42/847529642.db2.gz NGEICYMZWHEYCZ-UHFFFAOYSA-N -1 3 398.466 3.962 20 0 GHADHM COC(=O)[C@H](CNC(=O)Nc1ccc(Cl)cc1C)Cc1ccc([O-])c(F)c1 ZINC000421028962 847629669 /nfs/dbraw/zinc/62/96/69/847629669.db2.gz BRUAXYKALOEPLK-ZDUSSCGKSA-N -1 3 394.830 3.647 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000503425798 847700253 /nfs/dbraw/zinc/70/02/53/847700253.db2.gz LZHKSNQXINEJNL-YVEFUNNKSA-N -1 3 395.912 3.624 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000555774698 861823607 /nfs/dbraw/zinc/82/36/07/861823607.db2.gz HGBZLEAETNCLIG-UHFFFAOYSA-N -1 3 384.443 3.512 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000555774698 861823623 /nfs/dbraw/zinc/82/36/23/861823623.db2.gz HGBZLEAETNCLIG-UHFFFAOYSA-N -1 3 384.443 3.512 20 0 GHADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000503514322 847761401 /nfs/dbraw/zinc/76/14/01/847761401.db2.gz YDGNWEPWWVOYMX-UHFFFAOYSA-N -1 3 387.418 3.764 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN([C@H](C)C(F)(F)F)CC2)c1C ZINC000582610368 847780017 /nfs/dbraw/zinc/78/00/17/847780017.db2.gz WWMMMXNDYNJLCG-CYBMUJFWSA-N -1 3 381.398 3.623 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3c(C)cccc3C(C)C)CC2)[n-]1 ZINC000277745276 847799273 /nfs/dbraw/zinc/79/92/73/847799273.db2.gz IMYAEMOGJKEAQH-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3c(C)cccc3C(C)C)CC2)n[n-]1 ZINC000277745276 847799276 /nfs/dbraw/zinc/79/92/76/847799276.db2.gz IMYAEMOGJKEAQH-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM CCCOc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1OCC ZINC000503596390 847820999 /nfs/dbraw/zinc/82/09/99/847820999.db2.gz QZJSFSHNNGTOFY-UHFFFAOYSA-N -1 3 397.431 3.789 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccco1 ZINC000503802217 847952121 /nfs/dbraw/zinc/95/21/21/847952121.db2.gz XDKJUJKZQLEAIG-LBPRGKRZSA-N -1 3 394.276 3.651 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)c1ccco1 ZINC000503853101 847968449 /nfs/dbraw/zinc/96/84/49/847968449.db2.gz GNMBVAWUDYQSFM-AWEZNQCLSA-N -1 3 378.277 3.951 20 0 GHADHM Cc1nc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)cs1 ZINC000731768377 861854071 /nfs/dbraw/zinc/85/40/71/861854071.db2.gz KZTKLGNGGFCPEK-UHFFFAOYSA-N -1 3 378.251 3.961 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)c(C)o1 ZINC000153017984 848028373 /nfs/dbraw/zinc/02/83/73/848028373.db2.gz CMYLUELGVDWUOR-GOSISDBHSA-N -1 3 390.505 3.597 20 0 GHADHM CC(=O)N(C)c1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000785148908 848267835 /nfs/dbraw/zinc/26/78/35/848267835.db2.gz XGIZASUVKFAGSW-NSHDSACASA-N -1 3 399.472 3.914 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1 ZINC000731782160 861887676 /nfs/dbraw/zinc/88/76/76/861887676.db2.gz KYRMCDHLCUMEKG-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)n1 ZINC000582809152 848436160 /nfs/dbraw/zinc/43/61/60/848436160.db2.gz IKIMDFCNPYZOMB-DOMZBBRYSA-N -1 3 383.370 3.524 20 0 GHADHM O=S(=O)([N-][C@@H](CC(F)F)c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000420728948 848786459 /nfs/dbraw/zinc/78/64/59/848786459.db2.gz BFWXOHPCKJGRIT-LBPRGKRZSA-N -1 3 380.338 3.775 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000731915877 861956723 /nfs/dbraw/zinc/95/67/23/861956723.db2.gz MDNPWGWKLYTAFD-VHSXEESVSA-N -1 3 383.231 3.517 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1OC ZINC000162284677 848887811 /nfs/dbraw/zinc/88/78/11/848887811.db2.gz HMLMGHFQZSFDDR-KBPBESRZSA-N -1 3 394.518 3.569 20 0 GHADHM O=c1[n-]c(Sc2nnc(NCCc3ccccc3)s2)nc2ccccc21 ZINC000731921517 861961343 /nfs/dbraw/zinc/96/13/43/861961343.db2.gz CSTNFHJIEKALLR-UHFFFAOYSA-N -1 3 381.486 3.993 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1c[nH]c2ncccc12 ZINC000150740272 849014821 /nfs/dbraw/zinc/01/48/21/849014821.db2.gz UPVGKNOLKNTDMK-UHFFFAOYSA-N -1 3 386.658 3.780 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n(-c2ccccc2)n1 ZINC000583110287 849081105 /nfs/dbraw/zinc/08/11/05/849081105.db2.gz WXSJVEPYUISEFY-UHFFFAOYSA-N -1 3 379.807 3.558 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000458422552 849295188 /nfs/dbraw/zinc/29/51/88/849295188.db2.gz QXROOWJVVAVBDS-UHFFFAOYSA-N -1 3 384.329 3.918 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c1 ZINC000150885085 849581597 /nfs/dbraw/zinc/58/15/97/849581597.db2.gz CWPDETPSNCIPPN-UHFFFAOYSA-N -1 3 392.459 3.590 20 0 GHADHM O=C(Cc1ccc(OCc2ccccn2)cc1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000503949440 849776553 /nfs/dbraw/zinc/77/65/53/849776553.db2.gz RAGCLBGGARHRJE-UHFFFAOYSA-N -1 3 384.439 3.654 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1ccc(F)cc1F ZINC000503952402 849796862 /nfs/dbraw/zinc/79/68/62/849796862.db2.gz ZXVJLGDNMBCJHJ-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2nc(Br)sc2C)c1F ZINC001128554167 862073371 /nfs/dbraw/zinc/07/33/71/862073371.db2.gz YOGWHHXKUGJGOH-UHFFFAOYSA-N -1 3 391.193 3.531 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1[O-] ZINC000514664916 850140043 /nfs/dbraw/zinc/14/00/43/850140043.db2.gz OBMDZROWQYGHSY-UHFFFAOYSA-N -1 3 394.452 3.839 20 0 GHADHM C[C@H](NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000424251766 850313923 /nfs/dbraw/zinc/31/39/23/850313923.db2.gz CTYFDWSNZSBGPG-GXTWGEPZSA-N -1 3 387.307 3.890 20 0 GHADHM C[C@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000424251835 850313980 /nfs/dbraw/zinc/31/39/80/850313980.db2.gz CWIAUMFAKNAJKB-JSGCOSHPSA-N -1 3 387.307 3.890 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424259320 850318887 /nfs/dbraw/zinc/31/88/87/850318887.db2.gz MYRHZOXGQINYEG-AWEZNQCLSA-N -1 3 387.307 3.671 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000908758098 850334535 /nfs/dbraw/zinc/33/45/35/850334535.db2.gz YXYNWHKCVYZIHL-RTWAWAEBSA-N -1 3 395.503 3.508 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807041 850373914 /nfs/dbraw/zinc/37/39/14/850373914.db2.gz SFQAGQRHDHQNAW-MSOLQXFVSA-N -1 3 389.521 3.598 20 0 GHADHM C[C@H](Cc1ccccc1Br)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000185843969 862124683 /nfs/dbraw/zinc/12/46/83/862124683.db2.gz XNJADSCVYGNATQ-YYTPVVGHSA-N -1 3 385.261 3.809 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)c1 ZINC000518987106 850434339 /nfs/dbraw/zinc/43/43/39/850434339.db2.gz TYWLOOWLLQPWQC-UHFFFAOYSA-N -1 3 386.407 3.710 20 0 GHADHM CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CC1 ZINC000555891005 862129226 /nfs/dbraw/zinc/12/92/26/862129226.db2.gz SNPJQDRZHNXWRD-UHFFFAOYSA-N -1 3 378.416 3.842 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000908885252 850453890 /nfs/dbraw/zinc/45/38/90/850453890.db2.gz VGHHWXBZASPRKX-UEXGIBASSA-N -1 3 395.503 3.507 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000908962230 850498375 /nfs/dbraw/zinc/49/83/75/850498375.db2.gz VFTIJBAPGQOGCW-UHFFFAOYSA-N -1 3 389.858 3.900 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccc1 ZINC000909067009 850559326 /nfs/dbraw/zinc/55/93/26/850559326.db2.gz GQRQBBFXEIOPSM-DYESRHJHSA-N -1 3 380.488 3.864 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000487300369 850663555 /nfs/dbraw/zinc/66/35/55/850663555.db2.gz QIRAWLGNZPZBPP-UHFFFAOYSA-N -1 3 391.489 3.745 20 0 GHADHM CC(C)C1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000440011656 850680030 /nfs/dbraw/zinc/68/00/30/850680030.db2.gz PDMWEKGFXRSWNZ-UHFFFAOYSA-N -1 3 390.480 3.793 20 0 GHADHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000909722895 850728400 /nfs/dbraw/zinc/72/84/00/850728400.db2.gz DLMSJPITCPBLFH-FUHWJXTLSA-N -1 3 378.900 3.580 20 0 GHADHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000440071661 850743082 /nfs/dbraw/zinc/74/30/82/850743082.db2.gz BYMBVWBTOBMJGY-LLVKDONJSA-N -1 3 384.851 3.512 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909748915 850772110 /nfs/dbraw/zinc/77/21/10/850772110.db2.gz JIFUHBHNMGSDNR-XLIONFOSSA-N -1 3 398.478 3.540 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)c1nnc2ccccc2c1[O-] ZINC000732268331 862180394 /nfs/dbraw/zinc/18/03/94/862180394.db2.gz IHRLKOBJYBMJOF-UHFFFAOYSA-N -1 3 386.249 3.760 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299288180 850936961 /nfs/dbraw/zinc/93/69/61/850936961.db2.gz RJBQGTFZNVGVDO-MRXNPFEDSA-N -1 3 390.487 3.541 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(-n4ccnc4)cc3)cc2)cc(=O)[n-]1 ZINC000426625667 851020154 /nfs/dbraw/zinc/02/01/54/851020154.db2.gz NAYVWMMKDCMBBJ-UHFFFAOYSA-N -1 3 386.415 3.987 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435953729 851021226 /nfs/dbraw/zinc/02/12/26/851021226.db2.gz NNNZSIMLJWXRFC-LBPRGKRZSA-N -1 3 395.425 3.840 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCN(c4ccccc4Cl)C3=O)n[n-]2)o1 ZINC000732326137 862201817 /nfs/dbraw/zinc/20/18/17/862201817.db2.gz REVCUOGVBBDXMB-QGZVFWFLSA-N -1 3 385.807 3.594 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCN(c4ccccc4Cl)C3=O)[n-]n2)o1 ZINC000732326137 862201828 /nfs/dbraw/zinc/20/18/28/862201828.db2.gz REVCUOGVBBDXMB-QGZVFWFLSA-N -1 3 385.807 3.594 20 0 GHADHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc2ccccc21 ZINC000910360163 851151304 /nfs/dbraw/zinc/15/13/04/851151304.db2.gz XZPWTZVKJFVAET-GOSISDBHSA-N -1 3 389.455 3.784 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2cc(C3CC3)no2)sc2c1CCSC2 ZINC000440414084 851170898 /nfs/dbraw/zinc/17/08/98/851170898.db2.gz WAJLEDUZKZQABF-UHFFFAOYSA-N -1 3 378.475 3.832 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC000894425437 851289428 /nfs/dbraw/zinc/28/94/28/851289428.db2.gz MFBOXOYTWNVGDJ-SECBINFHSA-N -1 3 377.416 3.713 20 0 GHADHM O=C(NCc1ncccc1[O-])c1csc(-c2cc(Br)cs2)n1 ZINC000473635877 851317445 /nfs/dbraw/zinc/31/74/45/851317445.db2.gz CSFMYWZAKRCVHV-UHFFFAOYSA-N -1 3 396.291 3.665 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccc3)[C@H](O)C(C)C)nc2)n1 ZINC000664532706 851328690 /nfs/dbraw/zinc/32/86/90/851328690.db2.gz USBCLDOEJIYGMA-NHCUHLMSSA-N -1 3 378.476 3.977 20 0 GHADHM CC(C)c1sc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)nc1C(=O)[O-] ZINC000910701666 851334212 /nfs/dbraw/zinc/33/42/12/851334212.db2.gz VPWBFZSHWANSMK-HNNXBMFYSA-N -1 3 387.505 3.815 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000473642247 851347922 /nfs/dbraw/zinc/34/79/22/851347922.db2.gz WYAFHAIBUCZBGQ-UHFFFAOYSA-N -1 3 376.441 3.631 20 0 GHADHM COc1cc(C(=O)NCc2ncccc2[O-])ccc1OCc1ccccc1Cl ZINC000473644492 851374326 /nfs/dbraw/zinc/37/43/26/851374326.db2.gz RSMDDFBWRWNOKB-UHFFFAOYSA-N -1 3 398.846 3.958 20 0 GHADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000505496546 851558673 /nfs/dbraw/zinc/55/86/73/851558673.db2.gz YGJDALNRWLUXMF-AWEZNQCLSA-N -1 3 382.485 3.695 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)c(=O)[n-]1 ZINC000101520693 851615044 /nfs/dbraw/zinc/61/50/44/851615044.db2.gz BMBQCLZDHXPKTO-UHFFFAOYSA-N -1 3 387.911 3.601 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccsc1 ZINC000911192266 851615158 /nfs/dbraw/zinc/61/51/58/851615158.db2.gz VMHMRKGFSTUUER-LJQANCHMSA-N -1 3 399.516 3.600 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000111329384 851626534 /nfs/dbraw/zinc/62/65/34/851626534.db2.gz LDLHKEJTEWRPSJ-OAQYLSRUSA-N -1 3 394.496 3.794 20 0 GHADHM CC1CCN([C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc2)CC1 ZINC000911245919 851641484 /nfs/dbraw/zinc/64/14/84/851641484.db2.gz FILIRPDYXDOKKY-BVVFMGSASA-N -1 3 384.520 3.611 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1oc2c(c1C)c(C)ccc2C ZINC000911281680 851675916 /nfs/dbraw/zinc/67/59/16/851675916.db2.gz HLUIBCKFBYDXQV-QGZVFWFLSA-N -1 3 386.492 3.759 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488674070 851699569 /nfs/dbraw/zinc/69/95/69/851699569.db2.gz IGAWUZNTMPHXOZ-QGZVFWFLSA-N -1 3 378.266 3.937 20 0 GHADHM CN(C)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000488679046 851702141 /nfs/dbraw/zinc/70/21/41/851702141.db2.gz UNHALKRYVYEJQB-MRXNPFEDSA-N -1 3 397.700 3.727 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Br)cc3C)ccc2n1 ZINC000471945591 851710751 /nfs/dbraw/zinc/71/07/51/851710751.db2.gz XSUAIWBNYFVWRU-UHFFFAOYSA-N -1 3 380.267 3.514 20 0 GHADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1F ZINC000488698194 851712742 /nfs/dbraw/zinc/71/27/42/851712742.db2.gz RFOMNMPZZDKBNI-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cc(F)ccc1Cl ZINC000488726547 851715527 /nfs/dbraw/zinc/71/55/27/851715527.db2.gz OOVBMJCAMWCJNW-ZDUSSCGKSA-N -1 3 376.236 3.935 20 0 GHADHM CC1(C)CN(C(=O)c2cccc(C(=O)[O-])c2)C(C)(C)CN1Cc1ccccc1 ZINC000911500398 851761529 /nfs/dbraw/zinc/76/15/29/851761529.db2.gz IRHKOQIQSXWYHL-UHFFFAOYSA-N -1 3 380.488 3.900 20 0 GHADHM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)C(C)(C)CN1Cc1ccccc1 ZINC000911501867 851762633 /nfs/dbraw/zinc/76/26/33/851762633.db2.gz YTDYMZVWGCTERS-UHFFFAOYSA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)(C)CC(C)(C)N1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000911547359 851781223 /nfs/dbraw/zinc/78/12/23/851781223.db2.gz YICPQIDLLWNCIT-UHFFFAOYSA-N -1 3 378.557 3.771 20 0 GHADHM Cc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Br)c1 ZINC000132853118 862295174 /nfs/dbraw/zinc/29/51/74/862295174.db2.gz ZHDXKQVZJRZPHM-JTQLQIEISA-N -1 3 391.225 3.542 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1C(=O)N(C)C(C)C ZINC000192548134 862300687 /nfs/dbraw/zinc/30/06/87/862300687.db2.gz DFEKTZOULYJDBR-UHFFFAOYSA-N -1 3 377.444 3.569 20 0 GHADHM C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc4ccccc4cc3[O-])c2)CCO1 ZINC000436485048 851980353 /nfs/dbraw/zinc/98/03/53/851980353.db2.gz JLFOBBPUKWDSGA-QGZVFWFLSA-N -1 3 390.483 3.696 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N(CC1CC1)CC1CC1 ZINC000436521092 852011663 /nfs/dbraw/zinc/01/16/63/852011663.db2.gz BSNPWCVMRRJZCO-QFIPXVFZSA-N -1 3 392.499 3.902 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000436551504 852039661 /nfs/dbraw/zinc/03/96/61/852039661.db2.gz ZWEKXEMUJHCECT-KRWDZBQOSA-N -1 3 394.471 3.659 20 0 GHADHM COc1cccc(Oc2ncccc2CNC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436567820 852070126 /nfs/dbraw/zinc/07/01/26/852070126.db2.gz YLNABCWPQHHEGR-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000436570208 852073512 /nfs/dbraw/zinc/07/35/12/852073512.db2.gz NTLDSKYDLQLMOS-QGZVFWFLSA-N -1 3 388.464 3.809 20 0 GHADHM CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000436571819 852073604 /nfs/dbraw/zinc/07/36/04/852073604.db2.gz WZUUASOYJMXGOA-QGZVFWFLSA-N -1 3 388.464 3.809 20 0 GHADHM CN(C)C(=O)c1cccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436594319 852081724 /nfs/dbraw/zinc/08/17/24/852081724.db2.gz ILWXKSBNIGNSNK-UHFFFAOYSA-N -1 3 388.467 3.615 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000436586545 852094622 /nfs/dbraw/zinc/09/46/22/852094622.db2.gz WBUHWCUPZVDRDX-UHFFFAOYSA-N -1 3 392.421 3.693 20 0 GHADHM Cn1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(C(F)(F)F)n1 ZINC000436603669 852103153 /nfs/dbraw/zinc/10/31/53/852103153.db2.gz MLQCGSOAQUYPTE-UHFFFAOYSA-N -1 3 375.350 3.988 20 0 GHADHM COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436603701 852103367 /nfs/dbraw/zinc/10/33/67/852103367.db2.gz MSSDNNCWIZMCKZ-UHFFFAOYSA-N -1 3 384.476 3.885 20 0 GHADHM Cn1c(=O)oc2c1cccc2NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436604170 852103983 /nfs/dbraw/zinc/10/39/83/852103983.db2.gz NBBKCFOOLKMSNH-UHFFFAOYSA-N -1 3 376.368 3.882 20 0 GHADHM CCCOc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1OCCC ZINC000438198736 852110597 /nfs/dbraw/zinc/11/05/97/852110597.db2.gz HTBLWRWJCZGUAX-UHFFFAOYSA-N -1 3 375.440 3.968 20 0 GHADHM Cc1nn(C)c(C)c1CCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436621154 852135720 /nfs/dbraw/zinc/13/57/20/852135720.db2.gz CMLFOKSAUYKCMK-UHFFFAOYSA-N -1 3 379.460 3.897 20 0 GHADHM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436623789 852137059 /nfs/dbraw/zinc/13/70/59/852137059.db2.gz HOZAQIVJRNZQLT-HXUWFJFHSA-N -1 3 394.515 3.556 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436640476 852149577 /nfs/dbraw/zinc/14/95/77/852149577.db2.gz IFTWGHJBESLUSN-INIZCTEOSA-N -1 3 398.528 3.541 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436668927 852166141 /nfs/dbraw/zinc/16/61/41/852166141.db2.gz FSNWKOKZVQZTAM-UHFFFAOYSA-N -1 3 384.201 3.953 20 0 GHADHM CC(=O)c1ccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436662842 852180723 /nfs/dbraw/zinc/18/07/23/852180723.db2.gz DHISUNWYKITQQI-UHFFFAOYSA-N -1 3 382.243 3.536 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cnn3c2nccc3-c2ccccc2)s1 ZINC000516138102 852194931 /nfs/dbraw/zinc/19/49/31/852194931.db2.gz QYCPDDGBTPGOCK-UHFFFAOYSA-N -1 3 378.461 3.798 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000516151848 852215169 /nfs/dbraw/zinc/21/51/69/852215169.db2.gz RIVTXTXQIDJVAG-MISYRCLQSA-N -1 3 396.491 3.705 20 0 GHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436716196 852240047 /nfs/dbraw/zinc/24/00/47/852240047.db2.gz OKPZFCNZGBWBGV-HXUWFJFHSA-N -1 3 394.515 3.582 20 0 GHADHM O=C(NCc1cc(Cl)sc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436717922 852241054 /nfs/dbraw/zinc/24/10/54/852241054.db2.gz INMJQBNYAMHZTE-GFCCVEGCSA-N -1 3 399.299 3.682 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OCc1cccnc1 ZINC000426701083 852284698 /nfs/dbraw/zinc/28/46/98/852284698.db2.gz XPZZTTOZRGWVTI-QFIPXVFZSA-N -1 3 392.455 3.893 20 0 GHADHM COc1c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cccc1C(N)=O ZINC000436749635 852291524 /nfs/dbraw/zinc/29/15/24/852291524.db2.gz KQYGUJNOTBJFIV-UHFFFAOYSA-N -1 3 390.439 3.537 20 0 GHADHM Cc1ncc(CO)c(/C=N/C2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[O-] ZINC000031854779 852327948 /nfs/dbraw/zinc/32/79/48/852327948.db2.gz PHAATAIVUZZJJZ-LDRLUCCOSA-N -1 3 384.320 3.916 20 0 GHADHM CCN(Cc1cccc(Br)c1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436782682 852335521 /nfs/dbraw/zinc/33/55/21/852335521.db2.gz PBIDIIOGIHNENU-UHFFFAOYSA-N -1 3 391.265 3.775 20 0 GHADHM CC1([C@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C(=O)[O-])CCCCC1 ZINC000426737891 852335535 /nfs/dbraw/zinc/33/55/35/852335535.db2.gz RBYBCXCBDCFFMN-MRXNPFEDSA-N -1 3 380.851 3.573 20 0 GHADHM COc1ccc(Br)cc1[C@H](NCc1cccc2cc[nH]c21)C(=O)[O-] ZINC000426743491 852344595 /nfs/dbraw/zinc/34/45/95/852344595.db2.gz AUHSEWSPYIJDKZ-KRWDZBQOSA-N -1 3 389.249 3.855 20 0 GHADHM C[C@H](CC(F)(F)F)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436799078 852355449 /nfs/dbraw/zinc/35/54/49/852355449.db2.gz BICJRJRHCBQALQ-DYVFJYSZSA-N -1 3 394.393 3.711 20 0 GHADHM COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C)cc1[O-] ZINC000436819194 852358574 /nfs/dbraw/zinc/35/85/74/852358574.db2.gz XKVADPLISQROOD-UHFFFAOYSA-N -1 3 384.295 3.813 20 0 GHADHM CCc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)c([O-])c1 ZINC000436833433 852384328 /nfs/dbraw/zinc/38/43/28/852384328.db2.gz LOINTQIZYLQZRZ-UHFFFAOYSA-N -1 3 375.490 3.966 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(Br)c2)c1 ZINC000426781105 852386272 /nfs/dbraw/zinc/38/62/72/852386272.db2.gz YJMWBRKEWKREBD-MRXNPFEDSA-N -1 3 382.229 3.902 20 0 GHADHM C[C@H](CCC1CC1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819716 852388188 /nfs/dbraw/zinc/38/81/88/852388188.db2.gz FDNBGCGBJBCJKE-IERDGZPVSA-N -1 3 380.488 3.948 20 0 GHADHM CCCC[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436821066 852388972 /nfs/dbraw/zinc/38/89/72/852388972.db2.gz NYYBFWGNGFXRIN-AWEZNQCLSA-N -1 3 389.521 3.989 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc1OC ZINC000489486218 852395912 /nfs/dbraw/zinc/39/59/12/852395912.db2.gz QYSHESLZWFMKNZ-JKSUJKDBSA-N -1 3 397.541 3.793 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc1OC ZINC000489486216 852396138 /nfs/dbraw/zinc/39/61/38/852396138.db2.gz QYSHESLZWFMKNZ-HZPDHXFCSA-N -1 3 397.541 3.793 20 0 GHADHM O=C([O-])[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000426802967 852413431 /nfs/dbraw/zinc/41/34/31/852413431.db2.gz ZDFHGNXZKPJVKX-MRXNPFEDSA-N -1 3 377.213 3.985 20 0 GHADHM CCc1ccc([C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426813410 852424984 /nfs/dbraw/zinc/42/49/84/852424984.db2.gz XAHSBGKJKCBJBH-SFHVURJKSA-N -1 3 375.852 3.979 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(c1ccccc1)c1ccccc1 ZINC000517798681 852436556 /nfs/dbraw/zinc/43/65/56/852436556.db2.gz QDZZKYCTYGZYFP-HNNXBMFYSA-N -1 3 384.435 3.521 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3c(F)ccc(Br)c3F)n[n-]2)o1 ZINC000507006712 852444471 /nfs/dbraw/zinc/44/44/71/852444471.db2.gz UFTNZTYJOKTHBD-UHFFFAOYSA-N -1 3 397.179 3.595 20 0 GHADHM C[C@@H]1CC[C@H](N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436876437 852446748 /nfs/dbraw/zinc/44/67/48/852446748.db2.gz IWGCWUMEVAGTLL-LKUPVBHCSA-N -1 3 380.488 3.900 20 0 GHADHM O=C(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)NCc1ccccc1 ZINC000436888435 852462776 /nfs/dbraw/zinc/46/27/76/852462776.db2.gz RYXGNSOYKYRXOM-UHFFFAOYSA-N -1 3 399.450 3.892 20 0 GHADHM CCCc1noc2nc(CC)cc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)c12 ZINC000507004759 852467740 /nfs/dbraw/zinc/46/77/40/852467740.db2.gz PGBQHVQEDMQJOT-UHFFFAOYSA-N -1 3 380.408 3.677 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000436898134 852483897 /nfs/dbraw/zinc/48/38/97/852483897.db2.gz FEFUYLLYZWOXQV-QGZVFWFLSA-N -1 3 379.416 3.905 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccnn1[C@@H](C)CC(C)C)c2=O ZINC000426892747 852496557 /nfs/dbraw/zinc/49/65/57/852496557.db2.gz AJZREOHWRKEQMB-LBPRGKRZSA-N -1 3 386.427 3.732 20 0 GHADHM COc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([O-])c1 ZINC000436918212 852496660 /nfs/dbraw/zinc/49/66/60/852496660.db2.gz FKJADRXYSXXXIS-AWEZNQCLSA-N -1 3 389.757 3.536 20 0 GHADHM C[C@@H]1COC2(CCCC2)CN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912686988 852496705 /nfs/dbraw/zinc/49/67/05/852496705.db2.gz FAYJXONHCVWWIR-GFCCVEGCSA-N -1 3 381.498 3.664 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(CCCO)Cc1ccccn1 ZINC000436929646 852512839 /nfs/dbraw/zinc/51/28/39/852512839.db2.gz FUJCPTCVPOJPIC-UHFFFAOYSA-N -1 3 390.483 3.597 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)ns1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436948375 852530152 /nfs/dbraw/zinc/53/01/52/852530152.db2.gz GVPJHWCXGCZBLP-KRWDZBQOSA-N -1 3 393.468 3.759 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2ccccc2)c1 ZINC000436964043 852535255 /nfs/dbraw/zinc/53/52/55/852535255.db2.gz QSPPOIRVLNXECQ-AWEZNQCLSA-N -1 3 393.443 3.817 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(C)ccc32)c1 ZINC000436952145 852540628 /nfs/dbraw/zinc/54/06/28/852540628.db2.gz VUTZSBIBXJPOPL-IBGZPJMESA-N -1 3 391.427 3.667 20 0 GHADHM [O-]c1ccccc1-c1nc(Cc2cccc(F)c2I)no1 ZINC000436952450 852543266 /nfs/dbraw/zinc/54/32/66/852543266.db2.gz WLWKLHFGYUAZMA-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)c([O-])c1 ZINC000436972293 852553793 /nfs/dbraw/zinc/55/37/93/852553793.db2.gz NVCAXKYYOVZQRN-DLBZAZTESA-N -1 3 390.524 3.728 20 0 GHADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c([O-])c1 ZINC000436972930 852556727 /nfs/dbraw/zinc/55/67/27/852556727.db2.gz RDEXCBCIDNODIB-UHFFFAOYSA-N -1 3 384.476 3.865 20 0 GHADHM CCCCOc1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)c([O-])c1 ZINC000436970339 852572966 /nfs/dbraw/zinc/57/29/66/852572966.db2.gz DSOPEVBIQUIPKR-UHFFFAOYSA-N -1 3 398.503 3.935 20 0 GHADHM O=C(CCc1cc(Cl)cc(Cl)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427066493 852669022 /nfs/dbraw/zinc/66/90/22/852669022.db2.gz FOFYDHJYXARNCQ-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C(CCc1cc(Cl)cc(Cl)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427066493 852669030 /nfs/dbraw/zinc/66/90/30/852669030.db2.gz FOFYDHJYXARNCQ-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489987362 852707841 /nfs/dbraw/zinc/70/78/41/852707841.db2.gz WMGCHLZXBRXOQF-LLVKDONJSA-N -1 3 395.855 3.621 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427122109 852752482 /nfs/dbraw/zinc/75/24/82/852752482.db2.gz PBNJODXWXPVEIQ-UHFFFAOYSA-N -1 3 379.438 3.503 20 0 GHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427156326 852792332 /nfs/dbraw/zinc/79/23/32/852792332.db2.gz XZLYVHVWYGWIQQ-UHFFFAOYSA-N -1 3 384.461 3.539 20 0 GHADHM CC1(C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H]1C1CC1 ZINC000427263433 852915014 /nfs/dbraw/zinc/91/50/14/852915014.db2.gz UBPCXJARXWZKSJ-INIZCTEOSA-N -1 3 375.266 3.551 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(Cl)cc1F ZINC000507581116 853066476 /nfs/dbraw/zinc/06/64/76/853066476.db2.gz FYNFBAIAXRMZGJ-UHFFFAOYSA-N -1 3 389.235 3.736 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)sc1Cl ZINC000473865364 853225601 /nfs/dbraw/zinc/22/56/01/853225601.db2.gz WPNQFGWADDVXNA-UHFFFAOYSA-N -1 3 399.969 3.964 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000439061961 853229622 /nfs/dbraw/zinc/22/96/22/853229622.db2.gz WREGHBUKQGNFNC-UHFFFAOYSA-N -1 3 380.488 3.678 20 0 GHADHM O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)[N-]C(=O)c1cccs1 ZINC000007156764 853230331 /nfs/dbraw/zinc/23/03/31/853230331.db2.gz DXHFZYXGZGYQNB-UHFFFAOYSA-N -1 3 397.836 3.869 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(O)c(COC(C)C)c3)c[n-]c12 ZINC000517062197 853319202 /nfs/dbraw/zinc/31/92/02/853319202.db2.gz LQKXLGULBMNHEC-UHFFFAOYSA-N -1 3 384.407 3.859 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000439159359 853348732 /nfs/dbraw/zinc/34/87/32/853348732.db2.gz ROUCWMOBABCADU-YGRLFVJLSA-N -1 3 396.260 3.686 20 0 GHADHM COCCOCc1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)ccc1F ZINC000439158865 853349424 /nfs/dbraw/zinc/34/94/24/853349424.db2.gz QAVZIZQUYVEBCH-UHFFFAOYSA-N -1 3 397.450 3.670 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCCC4)cc3)ccc2N1 ZINC000604738254 862457048 /nfs/dbraw/zinc/45/70/48/862457048.db2.gz RSEOSMLTTUKJKN-UHFFFAOYSA-N -1 3 386.473 3.694 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000481874929 862459050 /nfs/dbraw/zinc/45/90/50/862459050.db2.gz ZBEFSBFZNIFMNL-UHFFFAOYSA-N -1 3 398.528 3.756 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000519684987 853392300 /nfs/dbraw/zinc/39/23/00/853392300.db2.gz PFUMNKZQMCUEPF-GOEBONIOSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000519684987 853392305 /nfs/dbraw/zinc/39/23/05/853392305.db2.gz PFUMNKZQMCUEPF-GOEBONIOSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC000913510425 853421036 /nfs/dbraw/zinc/42/10/36/853421036.db2.gz DDESOEVPFOHSPX-JOCHJYFZSA-N -1 3 379.435 3.751 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1Br ZINC000518492777 853424807 /nfs/dbraw/zinc/42/48/07/853424807.db2.gz OFFRPVCUCMOSTG-LLVKDONJSA-N -1 3 382.279 3.882 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000519858162 853553087 /nfs/dbraw/zinc/55/30/87/853553087.db2.gz NZDGFBUJXRDSEC-FBBABVLZSA-N -1 3 392.499 3.710 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1OC ZINC000437833222 853562324 /nfs/dbraw/zinc/56/23/24/853562324.db2.gz AWWOLPMNJNSBBN-RDJZCZTQSA-N -1 3 395.525 3.547 20 0 GHADHM CCCN(CC(C)C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000519881626 853578532 /nfs/dbraw/zinc/57/85/32/853578532.db2.gz ITNWKESIZVZOLS-UHFFFAOYSA-N -1 3 395.352 3.556 20 0 GHADHM CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000517273158 853584712 /nfs/dbraw/zinc/58/47/12/853584712.db2.gz BMHVYEWTTYRSNA-UHFFFAOYSA-N -1 3 390.505 3.678 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000437845239 853586041 /nfs/dbraw/zinc/58/60/41/853586041.db2.gz JFMCBPUVPOOIMD-LJQANCHMSA-N -1 3 397.541 3.891 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000055007470 853627355 /nfs/dbraw/zinc/62/73/55/853627355.db2.gz JHLPSNINXXULKD-XSFVSMFZSA-N -1 3 397.434 3.970 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000426379137 853630126 /nfs/dbraw/zinc/63/01/26/853630126.db2.gz IPLLDQDPFHPFJE-PXNSSMCTSA-N -1 3 375.476 3.800 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000426379137 853630135 /nfs/dbraw/zinc/63/01/35/853630135.db2.gz IPLLDQDPFHPFJE-PXNSSMCTSA-N -1 3 375.476 3.800 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000571031856 853696864 /nfs/dbraw/zinc/69/68/64/853696864.db2.gz OTPRELDQCDLDFD-GOSISDBHSA-N -1 3 380.492 3.573 20 0 GHADHM Cc1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)cc1-c1nnn[n-]1 ZINC001168378259 853783909 /nfs/dbraw/zinc/78/39/09/853783909.db2.gz VRVBOKRPVPSNGS-UHFFFAOYSA-N -1 3 375.354 3.532 20 0 GHADHM Cc1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)cc1-c1nn[n-]n1 ZINC001168378259 853783916 /nfs/dbraw/zinc/78/39/16/853783916.db2.gz VRVBOKRPVPSNGS-UHFFFAOYSA-N -1 3 375.354 3.532 20 0 GHADHM O=C(NCCSCc1cccc2ccccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571296569 853832322 /nfs/dbraw/zinc/83/23/22/853832322.db2.gz TWRJSSVSMYFZPP-UHFFFAOYSA-N -1 3 379.485 3.876 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000571333416 853845571 /nfs/dbraw/zinc/84/55/71/853845571.db2.gz CJLDVHQXJUBDQI-CYBMUJFWSA-N -1 3 391.386 3.534 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1nc(C2CCCCC2)no1 ZINC000330019525 862511712 /nfs/dbraw/zinc/51/17/12/862511712.db2.gz VFAWFVZHNLXZFJ-NSHDSACASA-N -1 3 392.506 3.767 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(CCc1ccccc1F)C1CCCC1 ZINC000520153990 853908898 /nfs/dbraw/zinc/90/88/98/853908898.db2.gz GVOYPPGLQRGRCV-UHFFFAOYSA-N -1 3 395.434 3.729 20 0 GHADHM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000055632013 854046842 /nfs/dbraw/zinc/04/68/42/854046842.db2.gz DZBORTCSNPYXLC-UHFFFAOYSA-N -1 3 378.450 3.761 20 0 GHADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(F)(F)F ZINC000481932317 862538638 /nfs/dbraw/zinc/53/86/38/862538638.db2.gz CSOBECJAZCJDFW-QMMMGPOBSA-N -1 3 380.292 3.652 20 0 GHADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000188395955 854183342 /nfs/dbraw/zinc/18/33/42/854183342.db2.gz NKUPNVKDEGQPCI-HNNXBMFYSA-N -1 3 389.502 3.937 20 0 GHADHM Cc1cnccc1[N-]S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000112496574 854232332 /nfs/dbraw/zinc/23/23/32/854232332.db2.gz HVLXNSLOXWCPNQ-UHFFFAOYSA-N -1 3 392.374 3.608 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c(C)c1 ZINC000588632751 854319999 /nfs/dbraw/zinc/31/99/99/854319999.db2.gz MXEJUCWLWRDDGZ-UHFFFAOYSA-N -1 3 398.488 3.857 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN([C@H](C)c4cccnc4)CC3)c2c1 ZINC000572043423 854342099 /nfs/dbraw/zinc/34/20/99/854342099.db2.gz JEDDLEROIHCZNO-MRXNPFEDSA-N -1 3 376.460 3.520 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000051054670 854376483 /nfs/dbraw/zinc/37/64/83/854376483.db2.gz DZVNSUMSFDHNDR-HUUCEWRRSA-N -1 3 396.491 3.598 20 0 GHADHM Cc1ncsc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000572185018 854436149 /nfs/dbraw/zinc/43/61/49/854436149.db2.gz ZELLFBJWKWAIAS-UHFFFAOYSA-N -1 3 389.238 3.716 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCCN(Cc4cscn4)CC3)c2c1 ZINC000572366935 854489465 /nfs/dbraw/zinc/48/94/65/854489465.db2.gz DEVQQYQHPUELBE-UHFFFAOYSA-N -1 3 396.516 3.719 20 0 GHADHM CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000068117139 854551640 /nfs/dbraw/zinc/55/16/40/854551640.db2.gz KKSSUEMUBXBGSZ-INIZCTEOSA-N -1 3 382.794 3.717 20 0 GHADHM CC(=O)c1cccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1[O-] ZINC000588864714 854557009 /nfs/dbraw/zinc/55/70/09/854557009.db2.gz FAKDIVPNNZYSTQ-UHFFFAOYSA-N -1 3 377.849 3.803 20 0 GHADHM CC(C)(C)Oc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000546277422 854605780 /nfs/dbraw/zinc/60/57/80/854605780.db2.gz MGGMOZLXXIVVIS-UHFFFAOYSA-N -1 3 387.461 3.952 20 0 GHADHM C[C@@H](N[C@@H](C)c1nccn1C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000624016097 862584208 /nfs/dbraw/zinc/58/42/08/862584208.db2.gz NPFHBJLYZULHLP-CVEARBPZSA-N -1 3 384.505 3.633 20 0 GHADHM O=c1[n-]nc(SCc2csc(C3CCCCC3)n2)n1C[C@@H]1CCCO1 ZINC000125404753 854722887 /nfs/dbraw/zinc/72/28/87/854722887.db2.gz SEZQTNUQYBIDGK-AWEZNQCLSA-N -1 3 380.539 3.547 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(F)(F)F ZINC000330706043 854733284 /nfs/dbraw/zinc/73/32/84/854733284.db2.gz LIXVWLPDYHOHHD-CQSZACIVSA-N -1 3 395.834 3.581 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(C)cc2)CCC1 ZINC001212387071 854861607 /nfs/dbraw/zinc/86/16/07/854861607.db2.gz LLGHPSINGKEDEK-UHFFFAOYSA-N -1 3 393.892 3.793 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c([O-])c1 ZINC000188711478 854929198 /nfs/dbraw/zinc/92/91/98/854929198.db2.gz RHRFOWLUHQSXBF-GOSISDBHSA-N -1 3 377.387 3.770 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)c2cc(C)ccc2C)cc1OC ZINC000572732641 854957476 /nfs/dbraw/zinc/95/74/76/854957476.db2.gz KSIMMRTZCLDDGB-UHFFFAOYSA-N -1 3 391.493 3.742 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3c(cccc3C)n2)c1Cl ZINC001212402225 855063381 /nfs/dbraw/zinc/06/33/81/855063381.db2.gz FBNRUWNNEOWLOO-UHFFFAOYSA-N -1 3 398.315 3.779 20 0 GHADHM O=C([N-]c1ccsc1Cl)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000189510646 855116977 /nfs/dbraw/zinc/11/69/77/855116977.db2.gz HBYSILACGTWXLD-UHFFFAOYSA-N -1 3 390.827 3.513 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)cc3)cc2)cc(=O)[n-]1 ZINC000520470217 855122793 /nfs/dbraw/zinc/12/27/93/855122793.db2.gz RESJMYGDJXOSJF-ZDUSSCGKSA-N -1 3 378.432 3.616 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c1Cl ZINC000590057762 855267068 /nfs/dbraw/zinc/26/70/68/855267068.db2.gz VUJZJTFWLLZSOV-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(Br)c1 ZINC001211865042 855308724 /nfs/dbraw/zinc/30/87/24/855308724.db2.gz FOLGOCHKVJXZMM-LLVKDONJSA-N -1 3 396.734 3.506 20 0 GHADHM CC(C)C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)OC(C)(C)C ZINC001127130351 855355397 /nfs/dbraw/zinc/35/53/97/855355397.db2.gz XLSLHXCLAFCEPD-ZDUSSCGKSA-N -1 3 377.378 3.929 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1NC(C)=O ZINC000055616152 855359551 /nfs/dbraw/zinc/35/95/51/855359551.db2.gz DCCYPZXWASBRLT-UHFFFAOYSA-N -1 3 390.505 3.997 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000590429995 855417898 /nfs/dbraw/zinc/41/78/98/855417898.db2.gz OCZDULHBFRTQLO-OAHLLOKOSA-N -1 3 385.313 3.584 20 0 GHADHM Cc1ccc(C)c2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])nc21 ZINC000590512401 855443163 /nfs/dbraw/zinc/44/31/63/855443163.db2.gz KTSZYKIORFXOBI-HNNXBMFYSA-N -1 3 395.484 3.862 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N(C1CC1)C1CCCC1 ZINC000107593244 855489905 /nfs/dbraw/zinc/48/99/05/855489905.db2.gz STFFAVXSERTYSW-UHFFFAOYSA-N -1 3 391.468 3.502 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC2(CCCC2)CC1 ZINC000265721837 855535491 /nfs/dbraw/zinc/53/54/91/855535491.db2.gz MEDOXNCGWVUHQS-UHFFFAOYSA-N -1 3 380.492 3.668 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)NC(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000441507266 855535758 /nfs/dbraw/zinc/53/57/58/855535758.db2.gz UVOYJCDFBIIUNB-IBGZPJMESA-N -1 3 382.439 3.585 20 0 GHADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1OCCC(C)C ZINC000520506971 855561494 /nfs/dbraw/zinc/56/14/94/855561494.db2.gz RULUQKNOXMKAKL-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1OCCC(C)C ZINC000520506971 855561499 /nfs/dbraw/zinc/56/14/99/855561499.db2.gz RULUQKNOXMKAKL-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482100464 862702327 /nfs/dbraw/zinc/70/23/27/862702327.db2.gz YNJZONJFODHFEA-CYBMUJFWSA-N -1 3 377.282 3.975 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)[S@](=O)c2ccc([O-])cc2)c(Br)c1 ZINC000108084274 855700439 /nfs/dbraw/zinc/70/04/39/855700439.db2.gz VFFUTWJAPOXBSF-KPWVOAKYSA-N -1 3 382.279 3.598 20 0 GHADHM C[C@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC12CCC2 ZINC000482113531 862715377 /nfs/dbraw/zinc/71/53/77/862715377.db2.gz LFTNRPZXWKARSP-LBPRGKRZSA-N -1 3 377.286 3.563 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000614622553 855801872 /nfs/dbraw/zinc/80/18/72/855801872.db2.gz URSLSWAUAVZLKW-BXKDBHETSA-N -1 3 388.258 3.783 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3cc(C)ccc32)cc1Cl ZINC000591389156 855942522 /nfs/dbraw/zinc/94/25/22/855942522.db2.gz QBSSWXCQXBICPS-INIZCTEOSA-N -1 3 396.871 3.712 20 0 GHADHM C[C@@H](CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)n1cccc1 ZINC000591452306 855996645 /nfs/dbraw/zinc/99/66/45/855996645.db2.gz BETAAIMFTLOADX-NSHDSACASA-N -1 3 391.244 3.792 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cncc(Br)c1 ZINC000485131319 856129772 /nfs/dbraw/zinc/12/97/72/856129772.db2.gz FXQAZNFNBBETPF-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cncc(Br)c1 ZINC000485131319 856129776 /nfs/dbraw/zinc/12/97/76/856129776.db2.gz FXQAZNFNBBETPF-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc2)cc1 ZINC000032082763 856208162 /nfs/dbraw/zinc/20/81/62/856208162.db2.gz DURVHHRFQIKIEW-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000591680670 856213794 /nfs/dbraw/zinc/21/37/94/856213794.db2.gz SFAWCOIDLBCRMV-UHFFFAOYSA-N -1 3 393.439 3.958 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c(C)c1 ZINC000591683121 856214483 /nfs/dbraw/zinc/21/44/83/856214483.db2.gz MPYSHZNGTAOJMD-UHFFFAOYSA-N -1 3 384.457 3.778 20 0 GHADHM COc1ccc(C2(NC(=O)NCc3ccc([O-])c(Br)c3)CC2)cc1 ZINC000485243248 856255345 /nfs/dbraw/zinc/25/53/45/856255345.db2.gz NTPJOZWKAIOELY-UHFFFAOYSA-N -1 3 391.265 3.652 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc2ccccc2c1C(F)(F)F ZINC000640705174 856275321 /nfs/dbraw/zinc/27/53/21/856275321.db2.gz SMBZPVGKCUXCCI-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc2ccccc2c1C(F)(F)F ZINC000640705174 856275330 /nfs/dbraw/zinc/27/53/30/856275330.db2.gz SMBZPVGKCUXCCI-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905377765 856299190 /nfs/dbraw/zinc/29/91/90/856299190.db2.gz WKWBQINUUVZKDF-OXQOHEQNSA-N -1 3 389.467 3.587 20 0 GHADHM COc1ccc(OCCCN[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000905400195 856302329 /nfs/dbraw/zinc/30/23/29/856302329.db2.gz JREUVYCXEWGKJT-KRWDZBQOSA-N -1 3 394.265 3.642 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](c3ccco3)N3CCCC3)c12 ZINC000573613531 856317549 /nfs/dbraw/zinc/31/75/49/856317549.db2.gz BGZDTGSQUXABQQ-ZDUSSCGKSA-N -1 3 386.477 3.848 20 0 GHADHM C[C@H](c1ccccn1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172001401 856319858 /nfs/dbraw/zinc/31/98/58/856319858.db2.gz KGHYVIHOGOJSAK-LLVKDONJSA-N -1 3 386.249 3.519 20 0 GHADHM CO[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000181175694 862784807 /nfs/dbraw/zinc/78/48/07/862784807.db2.gz VJDUKYFGOONVJH-INIZCTEOSA-N -1 3 390.505 3.858 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000760895318 856353049 /nfs/dbraw/zinc/35/30/49/856353049.db2.gz WJVUXOKUBBUPLH-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1c(F)cccc1F ZINC000482196549 862794781 /nfs/dbraw/zinc/79/47/81/862794781.db2.gz AOEXWEWARVVWLM-VIFPVBQESA-N -1 3 395.207 3.680 20 0 GHADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485398331 856445338 /nfs/dbraw/zinc/44/53/38/856445338.db2.gz JPJIVYFXCKPWDV-UHFFFAOYSA-N -1 3 392.496 3.654 20 0 GHADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485393345 856453997 /nfs/dbraw/zinc/45/39/97/856453997.db2.gz MOCMAWHOZWSDML-CQSZACIVSA-N -1 3 379.453 3.595 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000485395028 856457377 /nfs/dbraw/zinc/45/73/77/856457377.db2.gz BPOWECAPLJUSHY-UHFFFAOYSA-N -1 3 390.480 3.869 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)[nH]c2c1 ZINC000031447659 856461162 /nfs/dbraw/zinc/46/11/62/856461162.db2.gz NXIJJHQRVDUGRU-UHFFFAOYSA-N -1 3 384.457 3.640 20 0 GHADHM O=C(Nc1ccc(F)cc1)[C@@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472025731 856465409 /nfs/dbraw/zinc/46/54/09/856465409.db2.gz CKEWKNRLECOTNX-SFHVURJKSA-N -1 3 396.443 3.838 20 0 GHADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000138275383 856469430 /nfs/dbraw/zinc/46/94/30/856469430.db2.gz IKMUXYBSMOFAPC-OKILXGFUSA-N -1 3 376.453 3.640 20 0 GHADHM O=C([O-])c1cnc([C@H]2CCN(Cc3ccccc3OCc3cccnc3)C2)s1 ZINC000905749361 856504072 /nfs/dbraw/zinc/50/40/72/856504072.db2.gz LNBYGTANDBJYLR-KRWDZBQOSA-N -1 3 395.484 3.805 20 0 GHADHM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000592006488 856532003 /nfs/dbraw/zinc/53/20/03/856532003.db2.gz DIQHDCAGSIRLCI-CQSZACIVSA-N -1 3 397.456 3.702 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000605167636 862819981 /nfs/dbraw/zinc/81/99/81/862819981.db2.gz IQGXPKAOVVOCHD-UHFFFAOYSA-N -1 3 385.423 3.867 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC000110786797 856664608 /nfs/dbraw/zinc/66/46/08/856664608.db2.gz BLKNALKIOMAFTB-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC000110786797 856664615 /nfs/dbraw/zinc/66/46/15/856664615.db2.gz BLKNALKIOMAFTB-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000487404379 856711153 /nfs/dbraw/zinc/71/11/53/856711153.db2.gz XOKJMQBIPGMKFB-UHFFFAOYSA-N -1 3 392.692 3.661 20 0 GHADHM CSc1nc2ccccc2c(C)c1[N-]C(=O)c1coc2c1C(=O)NCCC2 ZINC000906043300 856773469 /nfs/dbraw/zinc/77/34/69/856773469.db2.gz NZHRQHRFEXLVJX-UHFFFAOYSA-N -1 3 381.457 3.786 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)[nH][n-]1 ZINC000592376075 856789420 /nfs/dbraw/zinc/78/94/20/856789420.db2.gz MNXIBDBKDOOZDY-UHFFFAOYSA-N -1 3 383.358 3.573 20 0 GHADHM COCCOc1ccc(Cl)cc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436951290 856795146 /nfs/dbraw/zinc/79/51/46/856795146.db2.gz YQHFTLNQQHOQKZ-UHFFFAOYSA-N -1 3 390.779 3.517 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@@H](C)Cc3ccc(C)cc3)c(=O)c2c(OC)c1 ZINC000625735429 856800047 /nfs/dbraw/zinc/80/00/47/856800047.db2.gz BSVFKFRPUPQAOT-HNNXBMFYSA-N -1 3 394.471 3.557 20 0 GHADHM CC1(C)CN(C(=O)c2cc(F)cc3n[n-]nc32)c2ccc(Br)cc21 ZINC000672190944 856808266 /nfs/dbraw/zinc/80/82/66/856808266.db2.gz KKNUWQNEFOGJTM-UHFFFAOYSA-N -1 3 389.228 3.798 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000485641524 856851557 /nfs/dbraw/zinc/85/15/57/856851557.db2.gz GPTPZEKFXFRARI-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000485641524 856851562 /nfs/dbraw/zinc/85/15/62/856851562.db2.gz GPTPZEKFXFRARI-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM O=c1cc(-c2nc(-c3cccc(Br)c3C(F)(F)F)no2)nc[n-]1 ZINC001212360514 856862928 /nfs/dbraw/zinc/86/29/28/856862928.db2.gz GHHPKHLTMIOVDA-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM Cc1c2cc(Br)cc(C)c2oc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000427913591 856873025 /nfs/dbraw/zinc/87/30/25/856873025.db2.gz LEXPLJHURAILMZ-UHFFFAOYSA-N -1 3 390.237 3.546 20 0 GHADHM CCCSC[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000592460499 856880474 /nfs/dbraw/zinc/88/04/74/856880474.db2.gz MHUDCDCAOUEQOG-GFCCVEGCSA-N -1 3 398.269 3.737 20 0 GHADHM O=C(CSCc1ccc(Br)cc1)NCc1ccc([O-])c(F)c1 ZINC000427955530 856927996 /nfs/dbraw/zinc/92/79/96/856927996.db2.gz LGUSEMGRTKIDQY-UHFFFAOYSA-N -1 3 384.270 3.843 20 0 GHADHM CCCCc1nc(NC(=O)Cc2c[nH]c3cccc(C)c23)c(C(=O)OCC)[n-]1 ZINC000485709117 856960348 /nfs/dbraw/zinc/96/03/48/856960348.db2.gz JLAZQKIXDABNSH-UHFFFAOYSA-N -1 3 382.464 3.900 20 0 GHADHM CC(C)(C)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000047063244 856965963 /nfs/dbraw/zinc/96/59/63/856965963.db2.gz LHTNMXLCYMJXNQ-UHFFFAOYSA-N -1 3 381.904 3.842 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000592647429 856999089 /nfs/dbraw/zinc/99/90/89/856999089.db2.gz SKDKVXXAVRZBFP-JTQLQIEISA-N -1 3 377.819 3.781 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1ccc(Br)s1 ZINC000592820510 857101946 /nfs/dbraw/zinc/10/19/46/857101946.db2.gz RBDWCLKIPNXITN-NSHDSACASA-N -1 3 376.272 3.616 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)c1 ZINC000509213108 862874007 /nfs/dbraw/zinc/87/40/07/862874007.db2.gz UFVZAVNGGVWMCS-OAHLLOKOSA-N -1 3 392.546 3.603 20 0 GHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C12CCCCC2 ZINC000672389006 857233557 /nfs/dbraw/zinc/23/35/57/857233557.db2.gz GRBFXYNXOLEWGC-KGLIPLIRSA-N -1 3 392.443 3.507 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000485948383 857241505 /nfs/dbraw/zinc/24/15/05/857241505.db2.gz ACSXOUMYCDJVDS-ZDUSSCGKSA-N -1 3 393.814 3.973 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482273870 862888948 /nfs/dbraw/zinc/88/89/48/862888948.db2.gz YXMXSIUSFKHTKT-LRDDRELGSA-N -1 3 385.302 3.549 20 0 GHADHM C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482273869 862889005 /nfs/dbraw/zinc/88/90/05/862889005.db2.gz YXMXSIUSFKHTKT-BLLLJJGKSA-N -1 3 385.302 3.549 20 0 GHADHM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1F ZINC000605291618 862904884 /nfs/dbraw/zinc/90/48/84/862904884.db2.gz JBLBCDXPOMSTBD-OAHLLOKOSA-N -1 3 395.452 3.856 20 0 GHADHM O=c1cc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)nc(-c2ccncc2)[n-]1 ZINC000486055076 857388647 /nfs/dbraw/zinc/38/86/47/857388647.db2.gz XPYRXQUIFHQYIV-RJRFIUFISA-N -1 3 375.819 3.841 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1Br)C1CCCC1 ZINC000656626465 857421850 /nfs/dbraw/zinc/42/18/50/857421850.db2.gz QKTTUCLPCVRHNJ-CQSZACIVSA-N -1 3 398.269 3.674 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1F ZINC000442237029 857665089 /nfs/dbraw/zinc/66/50/89/857665089.db2.gz NIYNSKSDGSVYEP-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000063849188 857667039 /nfs/dbraw/zinc/66/70/39/857667039.db2.gz SJNHKLUIEXRPCU-UHFFFAOYSA-N -1 3 393.505 3.828 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c(C)c1C ZINC000063886524 857669799 /nfs/dbraw/zinc/66/97/99/857669799.db2.gz JNRWZTPYYQQWGJ-UHFFFAOYSA-N -1 3 395.546 3.574 20 0 GHADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730977 857734984 /nfs/dbraw/zinc/73/49/84/857734984.db2.gz WHOMXPVKRBATHV-UHFFFAOYSA-N -1 3 389.415 3.509 20 0 GHADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070730977 857734992 /nfs/dbraw/zinc/73/49/92/857734992.db2.gz WHOMXPVKRBATHV-UHFFFAOYSA-N -1 3 389.415 3.509 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)cc3)ccc2o1 ZINC000043507540 857754449 /nfs/dbraw/zinc/75/44/49/857754449.db2.gz NIYVAIYKZBLDBB-UHFFFAOYSA-N -1 3 399.346 3.535 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000064956488 857757428 /nfs/dbraw/zinc/75/74/28/857757428.db2.gz MVWJFMYXUQZALO-DZGCQCFKSA-N -1 3 382.888 3.593 20 0 GHADHM C[C@H](OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000733444837 862947513 /nfs/dbraw/zinc/94/75/13/862947513.db2.gz NQFWXBIPHQFDFN-KKSFZXQISA-N -1 3 390.439 3.953 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)c(C)c1 ZINC000521263933 857797457 /nfs/dbraw/zinc/79/74/57/857797457.db2.gz OYJFQZGSUFRBCP-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486558108 857858040 /nfs/dbraw/zinc/85/80/40/857858040.db2.gz JIEDFQJQAXCWRK-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM CCCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CCN(Cc2ccccc2)CC1 ZINC000908090861 857914218 /nfs/dbraw/zinc/91/42/18/857914218.db2.gz GPDYAXAEVSXOSM-PKNBQFBNSA-N -1 3 396.487 3.894 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCC(F)(F)C2)cc1Cl ZINC000908066200 857917086 /nfs/dbraw/zinc/91/70/86/857917086.db2.gz MPOZDYJEBOXGCJ-SNVBAGLBSA-N -1 3 398.834 3.541 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000486617880 857917258 /nfs/dbraw/zinc/91/72/58/857917258.db2.gz BAKDHVXNUKLVDU-SFYZADRCSA-N -1 3 395.287 3.804 20 0 GHADHM O=c1[n-]c(SCc2nccs2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000676560019 857942654 /nfs/dbraw/zinc/94/26/54/857942654.db2.gz FCRYMDKGLWJMJL-UHFFFAOYSA-N -1 3 375.866 3.923 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1c(F)cncc1F ZINC000908177774 857967060 /nfs/dbraw/zinc/96/70/60/857967060.db2.gz XZPPXUHMJIETOJ-MRVPVSSYSA-N -1 3 384.408 3.654 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000521414304 857971835 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Cc1cccc(C)c1C[C@H](NCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000904071432 860096026 /nfs/dbraw/zinc/09/60/26/860096026.db2.gz BUFHOVHHMFPAAR-FQEVSTJZSA-N -1 3 397.906 3.987 20 0 GHADHM COC(=O)c1cnc(SCc2csc(N(C(C)=O)c3ccccc3)n2)[n-]1 ZINC000484573384 860127926 /nfs/dbraw/zinc/12/79/26/860127926.db2.gz IYWYAEFBQYZTSY-UHFFFAOYSA-N -1 3 388.474 3.630 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1sc2ccccc2c1Cl ZINC000727541560 860129467 /nfs/dbraw/zinc/12/94/67/860129467.db2.gz JVUDXZHGHZOUGM-UHFFFAOYSA-N -1 3 375.833 3.734 20 0 GHADHM COC(=O)c1ccc(C(=O)N2CC(C)(C)c3ccc(Br)cc32)[n-]1 ZINC000598235295 860160143 /nfs/dbraw/zinc/16/01/43/860160143.db2.gz ZBCUWFVKBALDOI-UHFFFAOYSA-N -1 3 377.238 3.502 20 0 GHADHM O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)c1cc([O-])c2ccccc2c1 ZINC000527177138 860171033 /nfs/dbraw/zinc/17/10/33/860171033.db2.gz VXOQKVBAMLHIOP-CYBMUJFWSA-N -1 3 387.838 3.919 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(OCc3cccc(F)c3)c2)c(=O)[n-]1 ZINC000097206974 860179154 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CCOc1ccc(Nc2ncccc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000102889394 860616380 /nfs/dbraw/zinc/61/63/80/860616380.db2.gz TZNAJYWHQMWDIT-UHFFFAOYSA-N -1 3 392.341 3.613 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCc2c(Cl)cccc2C1 ZINC000640293671 881571791 /nfs/dbraw/zinc/57/17/91/881571791.db2.gz VCOCTSKQIKRRGK-UHFFFAOYSA-N -1 3 393.196 3.764 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000625045927 860767686 /nfs/dbraw/zinc/76/76/86/860767686.db2.gz FWNXOKJVPIWRQU-HNNXBMFYSA-N -1 3 381.407 3.910 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2csc3ccccc32)s1 ZINC000730016396 860840158 /nfs/dbraw/zinc/84/01/58/860840158.db2.gz CCRUGKCONJLTLT-JTQLQIEISA-N -1 3 381.500 3.789 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Br)cn1 ZINC000481255551 860849327 /nfs/dbraw/zinc/84/93/27/860849327.db2.gz ISOXDGZOQHOWRJ-QMMMGPOBSA-N -1 3 393.665 3.676 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000176438193 860876389 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COC(=O)c1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1C(C)(C)C ZINC000474842296 861039543 /nfs/dbraw/zinc/03/95/43/861039543.db2.gz PBAJZPXJZSXEAN-UHFFFAOYSA-N -1 3 386.433 3.530 20 0 GHADHM COc1cc(C)ccc1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364305 861073065 /nfs/dbraw/zinc/07/30/65/861073065.db2.gz JFZTYTGYEQEEMT-UHFFFAOYSA-N -1 3 379.206 3.511 20 0 GHADHM Cc1cc(C)c(NC(=O)COC(=O)c2cccc(Br)c2[O-])c(C)c1 ZINC000730365994 861075433 /nfs/dbraw/zinc/07/54/33/861075433.db2.gz ZJPCEWPOMIAWLL-UHFFFAOYSA-N -1 3 392.249 3.875 20 0 GHADHM O=C(COC(=O)c1cccc(Br)c1[O-])Nc1cccc(Cl)c1 ZINC000730366938 861076553 /nfs/dbraw/zinc/07/65/53/861076553.db2.gz YRPKCMSSVONHPH-UHFFFAOYSA-N -1 3 384.613 3.604 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ncc(-c2ccccc2)o1 ZINC000182056548 863106908 /nfs/dbraw/zinc/10/69/08/863106908.db2.gz CGCUOKWSEPIUOS-LLVKDONJSA-N -1 3 397.378 3.795 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3)cc(Cl)c2O1 ZINC000605494490 863113693 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O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccc2n[n-]nc21 ZINC000182716081 863337362 /nfs/dbraw/zinc/33/73/62/863337362.db2.gz GPLJCRXHEMGIQK-UHFFFAOYSA-N -1 3 375.413 3.758 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000120641836 881650242 /nfs/dbraw/zinc/65/02/42/881650242.db2.gz XRZUAZSTLHZCMI-GOSISDBHSA-N -1 3 377.387 3.770 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1cccc(F)c1 ZINC000482596648 863365851 /nfs/dbraw/zinc/36/58/51/863365851.db2.gz YWPUHSHQCOAVLV-LLVKDONJSA-N -1 3 397.244 3.561 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nccs1 ZINC000444089869 863368312 /nfs/dbraw/zinc/36/83/12/863368312.db2.gz YOGMYFXYBSLOGV-ZDUSSCGKSA-N -1 3 382.404 3.905 20 0 GHADHM Cc1ccccc1O[C@H](C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482615720 863385519 /nfs/dbraw/zinc/38/55/19/863385519.db2.gz CXARMSPJRAGFSN-CYBMUJFWSA-N -1 3 393.281 3.730 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC000522815274 863439207 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COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(F)c1 ZINC000480211981 864273526 /nfs/dbraw/zinc/27/35/26/864273526.db2.gz ZBZHDLIJSVYFLV-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CCCCN(C)C(=O)C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621673873 864344380 /nfs/dbraw/zinc/34/43/80/864344380.db2.gz FAIFTXVCPAFRNN-UHFFFAOYSA-N -1 3 386.414 3.522 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(OCc2cccnc2)cc1 ZINC000554442263 864351857 /nfs/dbraw/zinc/35/18/57/864351857.db2.gz VCCITZYGQSETPN-MRXNPFEDSA-N -1 3 387.443 3.613 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H](C)c2ccco2)no1 ZINC000621800314 864444108 /nfs/dbraw/zinc/44/41/08/864444108.db2.gz VVGIZGCBPYFQSV-MNOVXSKESA-N -1 3 381.841 3.507 20 0 GHADHM Cc1ccc(S[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c(C)c1 ZINC000898733981 864561259 /nfs/dbraw/zinc/56/12/59/864561259.db2.gz KAZUFJYEXHTKSC-UYAOXDASSA-N -1 3 395.528 3.765 20 0 GHADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104741643 864594377 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GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)C2CC2)s1 ZINC000608033611 864936996 /nfs/dbraw/zinc/93/69/96/864936996.db2.gz NMKXNHNSKSQHLY-KRWDZBQOSA-N -1 3 389.502 3.677 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)ccc1[O-] ZINC000622373913 864953360 /nfs/dbraw/zinc/95/33/60/864953360.db2.gz ZWULGMPRFXFXLQ-HNNXBMFYSA-N -1 3 382.357 3.554 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000154792862 864982546 /nfs/dbraw/zinc/98/25/46/864982546.db2.gz BFNTVUNMNDPJCN-AWEZNQCLSA-N -1 3 397.313 3.836 20 0 GHADHM C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736192785 865152590 /nfs/dbraw/zinc/15/25/90/865152590.db2.gz MHZLPKTVOOMDHK-JTQLQIEISA-N -1 3 399.867 3.742 20 0 GHADHM C[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736192785 865152594 /nfs/dbraw/zinc/15/25/94/865152594.db2.gz MHZLPKTVOOMDHK-JTQLQIEISA-N -1 3 399.867 3.742 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736379623 865194273 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O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(OCC4CC4)cc3)ccc2N1 ZINC000171955935 865426827 /nfs/dbraw/zinc/42/68/27/865426827.db2.gz PDNVGGHZPKAGEO-UHFFFAOYSA-N -1 3 386.473 3.551 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N4CCCC4=O)cc3)nc2)n1 ZINC000301568515 865430534 /nfs/dbraw/zinc/43/05/34/865430534.db2.gz ZTSTZXCEGLKYII-UHFFFAOYSA-N -1 3 389.459 3.546 20 0 GHADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(F)(F)F ZINC000737753407 865432467 /nfs/dbraw/zinc/43/24/67/865432467.db2.gz WOGUCPQLYBZMKP-OQLLNIDSSA-N -1 3 376.334 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](Nc4ccccc4)C3)nc2)n1 ZINC000301669082 865486170 /nfs/dbraw/zinc/48/61/70/865486170.db2.gz NLXGKMNAOYPQBA-LJQANCHMSA-N -1 3 375.476 3.888 20 0 GHADHM COc1ccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1Cl ZINC000738294813 865522674 /nfs/dbraw/zinc/52/26/74/865522674.db2.gz TZPPHXUBZJUGCR-UHFFFAOYSA-N -1 3 398.846 3.731 20 0 GHADHM COc1cccc(C2(C[N-]S(=O)(=O)c3cccnc3Cl)CCCC2)c1 ZINC000738378191 865534002 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O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000739058161 865683448 /nfs/dbraw/zinc/68/34/48/865683448.db2.gz CWKYPDVVSARGSS-HNNXBMFYSA-N -1 3 378.831 3.938 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc(-c2ccco2)[nH]c1=O ZINC000622891396 865701820 /nfs/dbraw/zinc/70/18/20/865701820.db2.gz XIFFNMUZLYLDCF-UHFFFAOYSA-N -1 3 380.791 3.765 20 0 GHADHM O=C(Cc1ccc(-n2cccn2)cc1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891387 865701949 /nfs/dbraw/zinc/70/19/49/865701949.db2.gz WQHFOVYPCWDZPT-UHFFFAOYSA-N -1 3 377.835 3.519 20 0 GHADHM CC(C)NC(=O)Nc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000622891105 865703307 /nfs/dbraw/zinc/70/33/07/865703307.db2.gz FTFPPEPRHQJHDI-UHFFFAOYSA-N -1 3 397.866 3.934 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000622892546 865705167 /nfs/dbraw/zinc/70/51/67/865705167.db2.gz WGOOIQRFVZCBTK-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM CCn1ncc(Cl)c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000856975268 881902038 /nfs/dbraw/zinc/90/20/38/881902038.db2.gz UQEFKWZTXVCRET-QMMMGPOBSA-N -1 3 380.857 3.802 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737357033 865802644 /nfs/dbraw/zinc/80/26/44/865802644.db2.gz MHLDDVGZSPKWFN-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737357033 865802660 /nfs/dbraw/zinc/80/26/60/865802660.db2.gz MHLDDVGZSPKWFN-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM CC(C)Oc1cc(Br)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000567625110 865864918 /nfs/dbraw/zinc/86/49/18/865864918.db2.gz FJJHPMIBSYJDDL-UHFFFAOYSA-N -1 3 392.253 3.862 20 0 GHADHM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CCO2)cc1 ZINC000508484422 865899613 /nfs/dbraw/zinc/89/96/13/865899613.db2.gz BNICCNOOJZWEFO-IBGZPJMESA-N -1 3 398.409 3.582 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000475486861 866015210 /nfs/dbraw/zinc/01/52/10/866015210.db2.gz NEZRMNMXNYEQAR-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000475486861 866015227 /nfs/dbraw/zinc/01/52/27/866015227.db2.gz NEZRMNMXNYEQAR-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1OC ZINC000555376447 866027962 /nfs/dbraw/zinc/02/79/62/866027962.db2.gz HAQCUWMFBLPKPP-UHFFFAOYSA-N -1 3 396.317 3.593 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)c([O-])c1 ZINC000534093978 866120493 /nfs/dbraw/zinc/12/04/93/866120493.db2.gz KJLIBIOAFZDBTD-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM CC(C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC1 ZINC000456140076 866146709 /nfs/dbraw/zinc/14/67/09/866146709.db2.gz DFFHDRDSISYGOW-FQEVSTJZSA-N -1 3 380.488 3.948 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)ccc1OC(C)C ZINC000614760880 866182467 /nfs/dbraw/zinc/18/24/67/866182467.db2.gz MUBSFKNSRNEZJY-UHFFFAOYSA-N -1 3 377.462 3.744 20 0 GHADHM CC(C)(C)CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OC(C)(C)C ZINC000456235321 866290716 /nfs/dbraw/zinc/29/07/16/866290716.db2.gz RNMVVJIBGIQHFW-MRXNPFEDSA-N -1 3 386.492 3.795 20 0 GHADHM COCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(C(F)(F)F)c1 ZINC000456279432 866302578 /nfs/dbraw/zinc/30/25/78/866302578.db2.gz DNTJWJUWMLNJTM-AWEZNQCLSA-N -1 3 396.344 3.623 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cc(N3CCOCC3)ccc2Br)c1 ZINC000456310707 866405505 /nfs/dbraw/zinc/40/55/05/866405505.db2.gz RAMIDMKCWNFDGQ-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000665847596 866549399 /nfs/dbraw/zinc/54/93/99/866549399.db2.gz XQPRZBDDAXRSLR-UHFFFAOYSA-N -1 3 397.349 3.891 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2C)c1 ZINC000534361025 866645721 /nfs/dbraw/zinc/64/57/21/866645721.db2.gz BJOGQUHEGZDSGX-GHTZIAJQSA-N -1 3 382.460 3.779 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2scnc2Cl)c(Br)cc1F ZINC000741604030 866650950 /nfs/dbraw/zinc/65/09/50/866650950.db2.gz PILMYFFSLXTKMS-UHFFFAOYSA-N -1 3 393.621 3.737 20 0 GHADHM Cc1nc2c(s1)[C@H](N(C)Cc1nc3c4ccccc4oc3c(=O)[n-]1)CCC2 ZINC000111312821 866669823 /nfs/dbraw/zinc/66/98/23/866669823.db2.gz FSOPDCLIVKVPRB-CQSZACIVSA-N -1 3 380.473 3.944 20 0 GHADHM COCCOc1ccccc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000620345009 866671925 /nfs/dbraw/zinc/67/19/25/866671925.db2.gz NIBKBWGHCBHDAZ-UHFFFAOYSA-N -1 3 394.431 3.827 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H](C1CCCC1)C(F)(F)F ZINC000640295716 882014516 /nfs/dbraw/zinc/01/45/16/882014516.db2.gz BQKDEBTZCASXCY-SECBINFHSA-N -1 3 392.731 3.763 20 0 GHADHM CC(C)N1CCN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)CC1 ZINC000183557697 866867180 /nfs/dbraw/zinc/86/71/80/866867180.db2.gz HPWBHQUKYAEVTN-LJQANCHMSA-N -1 3 388.471 3.848 20 0 GHADHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(Br)cc3[O-])cnc21 ZINC000523310598 867046769 /nfs/dbraw/zinc/04/67/69/867046769.db2.gz IMQQQXYYXOLLQF-UHFFFAOYSA-N -1 3 389.253 3.808 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccccc1[O-] ZINC000194209168 882042180 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GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000534820977 867580421 /nfs/dbraw/zinc/58/04/21/867580421.db2.gz QWJWVWAOIPCIMV-UHFFFAOYSA-N -1 3 379.851 3.921 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1cccc(C)c1C ZINC000553524063 867620597 /nfs/dbraw/zinc/62/05/97/867620597.db2.gz ZJJODFWOUCFGGI-QGZVFWFLSA-N -1 3 397.443 3.824 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)sc1Br ZINC000479373087 867646003 /nfs/dbraw/zinc/64/60/03/867646003.db2.gz GVIJBSXEUKISKP-WDEREUQCSA-N -1 3 396.372 3.691 20 0 GHADHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000190177536 882111383 /nfs/dbraw/zinc/11/13/83/882111383.db2.gz XSHNKWRKWGXEJO-UHFFFAOYSA-N -1 3 382.264 3.638 20 0 GHADHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000190177536 882111388 /nfs/dbraw/zinc/11/13/88/882111388.db2.gz XSHNKWRKWGXEJO-UHFFFAOYSA-N -1 3 382.264 3.638 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000523695399 867795621 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COc1cc2cc(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)[nH]c2cc1OC ZINC000479777297 868477283 /nfs/dbraw/zinc/47/72/83/868477283.db2.gz UPQQUZFNXCKOIW-UHFFFAOYSA-N -1 3 399.357 3.501 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)c1ccccc1Cl ZINC000524124597 868572513 /nfs/dbraw/zinc/57/25/13/868572513.db2.gz VQGFJPLSRKUMNQ-UHFFFAOYSA-N -1 3 398.894 3.912 20 0 GHADHM CCOCCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000744207865 868664446 /nfs/dbraw/zinc/66/44/46/868664446.db2.gz SWTJJAWGQAKWFX-UHFFFAOYSA-N -1 3 395.452 3.600 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000648432624 882219475 /nfs/dbraw/zinc/21/94/75/882219475.db2.gz CBCUIGSVXUTBDR-HTQZYQBOSA-N -1 3 379.716 3.541 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1N1CCCCCC1 ZINC000479935949 868751279 /nfs/dbraw/zinc/75/12/79/868751279.db2.gz YSNDUMXWEDXDIV-UHFFFAOYSA-N -1 3 382.390 3.526 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000157919150 868800875 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869418316 /nfs/dbraw/zinc/41/83/16/869418316.db2.gz XTUDUYBDPKQRBJ-UHFFFAOYSA-N -1 3 391.290 3.518 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000462455227 869485584 /nfs/dbraw/zinc/48/55/84/869485584.db2.gz ZUTASAIODZEFQM-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc[nH]c(=O)c1Br ZINC000446224870 869568724 /nfs/dbraw/zinc/56/87/24/869568724.db2.gz GSBDTWVOBRTWNR-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)s1 ZINC000462541778 869634288 /nfs/dbraw/zinc/63/42/88/869634288.db2.gz HPIVGRPKDLZWAU-MFKMUULPSA-N -1 3 396.372 3.693 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793613994 882331088 /nfs/dbraw/zinc/33/10/88/882331088.db2.gz CPCMSIBWBNXIRJ-UHFFFAOYSA-N -1 3 394.522 3.580 20 0 GHADHM CCOC(=O)c1nc(Br)cnc1Nc1c(Cl)ccc([O-])c1F ZINC001214557712 869878214 /nfs/dbraw/zinc/87/82/14/869878214.db2.gz HIKOFBFWBIUILX-UHFFFAOYSA-N -1 3 390.596 3.658 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1[O-] ZINC000539845340 869892079 /nfs/dbraw/zinc/89/20/79/869892079.db2.gz JIOPLQVRABTMST-GOSISDBHSA-N -1 3 381.476 3.771 20 0 GHADHM O=C(OC[C@H]1CCCS1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000745958502 869909573 /nfs/dbraw/zinc/90/95/73/869909573.db2.gz MEXJFUGBGQBHFZ-CQSZACIVSA-N -1 3 395.477 3.679 20 0 GHADHM COC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000539853342 869920150 /nfs/dbraw/zinc/92/01/50/869920150.db2.gz BFXSZWPXNLLDLH-LJQANCHMSA-N -1 3 378.432 3.667 20 0 GHADHM C[C@H](CN1CCOCC1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000539871970 869942309 /nfs/dbraw/zinc/94/23/09/869942309.db2.gz CFDZIROVTSSUQY-CQSZACIVSA-N -1 3 397.500 3.576 20 0 GHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000462718922 869966738 /nfs/dbraw/zinc/96/67/38/869966738.db2.gz DBJOTAVORLQSTE-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(-c2nnc(C)o2)c1 ZINC001192277910 870260733 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Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000446871505 870634894 /nfs/dbraw/zinc/63/48/94/870634894.db2.gz NOQYOBSYGWAUIX-SNVBAGLBSA-N -1 3 395.307 3.625 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461619472 870641720 /nfs/dbraw/zinc/64/17/20/870641720.db2.gz MNRQBEXSVBGMKK-IBGZPJMESA-N -1 3 397.475 3.502 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461625798 870652019 /nfs/dbraw/zinc/65/20/19/870652019.db2.gz JNGANMCPLHAMSI-UONOGXRCSA-N -1 3 379.460 3.511 20 0 GHADHM COc1ncnc([N-]C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1OC ZINC001192766978 870652983 /nfs/dbraw/zinc/65/29/83/870652983.db2.gz XRUIMFWDZBJQLB-UHFFFAOYSA-N -1 3 398.033 3.755 20 0 GHADHM Cc1ccsc1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000540201600 870717601 /nfs/dbraw/zinc/71/76/01/870717601.db2.gz PKRJVXCNIINJOT-UHFFFAOYSA-N -1 3 391.290 3.633 20 0 GHADHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001192838276 870722467 /nfs/dbraw/zinc/72/24/67/870722467.db2.gz KFEUQYORYQZBAG-LBPRGKRZSA-N -1 3 386.233 3.935 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1COc2ccccc21 ZINC000738174467 870780882 /nfs/dbraw/zinc/78/08/82/870780882.db2.gz ZNUQZRJOEIXCJB-LJQANCHMSA-N -1 3 399.410 3.774 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1COc2ccccc21 ZINC000738174467 870780897 /nfs/dbraw/zinc/78/08/97/870780897.db2.gz ZNUQZRJOEIXCJB-LJQANCHMSA-N -1 3 399.410 3.774 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1F)c1cnccc1Cl ZINC001192930000 870795623 /nfs/dbraw/zinc/79/56/23/870795623.db2.gz ODQIJYRCPWBFCT-QGZVFWFLSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1ccc2snc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)c2c1 ZINC000506114120 870869771 /nfs/dbraw/zinc/86/97/71/870869771.db2.gz XERDDVYOFZOSTG-UHFFFAOYSA-N -1 3 387.262 3.689 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1OCC(F)F ZINC000538938585 870923352 /nfs/dbraw/zinc/92/33/52/870923352.db2.gz DMRFLXDCWXOTCU-UHFFFAOYSA-N -1 3 383.416 3.765 20 0 GHADHM CC(C)(CNC(=O)c1ccc(Br)c(=O)[n-]1)c1c[nH]c2ccccc21 ZINC001193163543 870928286 /nfs/dbraw/zinc/92/82/86/870928286.db2.gz YVNWKEAISDXYSF-UHFFFAOYSA-N -1 3 388.265 3.739 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC12CC(c3ccccc3)(C1)C2 ZINC000640300741 882459157 /nfs/dbraw/zinc/45/91/57/882459157.db2.gz TXVXWLZJTZAYCP-UHFFFAOYSA-N -1 3 384.789 3.517 20 0 GHADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)cc(Cl)c1Br ZINC001193264089 870986337 /nfs/dbraw/zinc/98/63/37/870986337.db2.gz LYKAZOKIGZLNDG-QMMMGPOBSA-N -1 3 389.098 3.677 20 0 GHADHM CCc1cc2c(CN[C@@H](COC)c3ccc(F)c(F)c3)cc(=O)oc2cc1[O-] ZINC000181427870 871003173 /nfs/dbraw/zinc/00/31/73/871003173.db2.gz YGAYBSCRAOPBHK-SFHVURJKSA-N -1 3 389.398 3.817 20 0 GHADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000181517417 871127465 /nfs/dbraw/zinc/12/74/65/871127465.db2.gz XTKUOPXDSLLOIC-CYBMUJFWSA-N -1 3 379.247 3.807 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccccn4)no3)c2)n1 ZINC000461884331 871175938 /nfs/dbraw/zinc/17/59/38/871175938.db2.gz RFBCUYSXQGHEAA-UHFFFAOYSA-N -1 3 387.399 3.714 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)[C@H]1CCCCO1 ZINC001193628921 871197760 /nfs/dbraw/zinc/19/77/60/871197760.db2.gz TXGWMILTKXMDDR-LLVKDONJSA-N -1 3 396.372 3.693 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000447268651 871290269 /nfs/dbraw/zinc/29/02/69/871290269.db2.gz WISXUAYHWAMFDI-UHFFFAOYSA-N -1 3 390.244 3.574 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000857720092 882495790 /nfs/dbraw/zinc/49/57/90/882495790.db2.gz NRIDMEFKQCQRRW-ZDUSSCGKSA-N -1 3 388.468 3.634 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(F)cc(Br)c1 ZINC001193764617 871300882 /nfs/dbraw/zinc/30/08/82/871300882.db2.gz PZXNTNQYGQENEB-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC001193800310 871315625 /nfs/dbraw/zinc/31/56/25/871315625.db2.gz NNHLLOZQSHALMR-GOEBONIOSA-N -1 3 397.422 3.567 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc2ccccc2s1 ZINC001193850945 871351549 /nfs/dbraw/zinc/35/15/49/871351549.db2.gz UMEDXJSTFPEXNJ-UHFFFAOYSA-N -1 3 383.853 3.855 20 0 GHADHM COc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC001194053496 871467073 /nfs/dbraw/zinc/46/70/73/871467073.db2.gz VXLLFRAAZGIYHR-AWEZNQCLSA-N -1 3 379.787 3.772 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)Cc2noc3ccccc32)nc1C ZINC001194058970 871469471 /nfs/dbraw/zinc/46/94/71/871469471.db2.gz NBDCXHQMPJMAHL-UHFFFAOYSA-N -1 3 396.266 3.544 20 0 GHADHM COC(=O)c1ccsc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000447375513 871497681 /nfs/dbraw/zinc/49/76/81/871497681.db2.gz QTMCWCVSBSLEBI-UHFFFAOYSA-N -1 3 376.178 3.828 20 0 GHADHM Cc1ccc(OC(F)(F)F)cc1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001194095560 871502022 /nfs/dbraw/zinc/50/20/22/871502022.db2.gz YBXGVGYOEVQBIN-UHFFFAOYSA-N -1 3 386.351 3.977 20 0 GHADHM COC(=O)c1cc(F)cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1 ZINC001194136984 871535086 /nfs/dbraw/zinc/53/50/86/871535086.db2.gz LUGOWUGFJZXRAV-UHFFFAOYSA-N -1 3 389.379 3.526 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000103263437 871556639 /nfs/dbraw/zinc/55/66/39/871556639.db2.gz WCEXMQSPSCPCNY-CMDGGOBGSA-N -1 3 387.848 3.915 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c(F)c1 ZINC001194431994 871713599 /nfs/dbraw/zinc/71/35/99/871713599.db2.gz RUNTZIHFAIODFF-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1NC(=O)c1cccc(F)c1 ZINC000447550167 871779152 /nfs/dbraw/zinc/77/91/52/871779152.db2.gz HBYRGCOYPYMJCT-UHFFFAOYSA-N -1 3 396.374 3.750 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Cl)s1 ZINC000540658286 871856995 /nfs/dbraw/zinc/85/69/95/871856995.db2.gz JREZDNWJGQKUGK-NSHDSACASA-N -1 3 377.318 3.612 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@@H]1F)c1ccc2ccccc2c1F ZINC001194680324 871886657 /nfs/dbraw/zinc/88/66/57/871886657.db2.gz ATEWEZMHMJCQKK-KXBFYZLASA-N -1 3 375.396 3.729 20 0 GHADHM [O-]c1cc(Nc2cc(CO)ccc2I)ccc1Cl ZINC001212595448 871894476 /nfs/dbraw/zinc/89/44/76/871894476.db2.gz UXNTYFGFPIBROC-UHFFFAOYSA-N -1 3 375.593 3.886 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2)cc(=O)[n-]1 ZINC000552041304 871921224 /nfs/dbraw/zinc/92/12/24/871921224.db2.gz IZQYVVIIVJNRCK-GOSISDBHSA-N -1 3 378.436 3.640 20 0 GHADHM O=C(Nc1ccc2nc(-c3ccccc3F)nn2c1)c1cnc(C(F)(F)F)[n-]1 ZINC001194773465 871954500 /nfs/dbraw/zinc/95/45/00/871954500.db2.gz RSKSMVULHXAPOF-UHFFFAOYSA-N -1 3 390.300 3.530 20 0 GHADHM CC(=O)c1cc(Cl)c([N-]S(=O)(=O)C2CCC(=O)CC2)c(C(F)(F)F)c1 ZINC001194804101 871959710 /nfs/dbraw/zinc/95/97/10/871959710.db2.gz OQTURQCOHQIZBP-UHFFFAOYSA-N -1 3 397.802 3.815 20 0 GHADHM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000618780562 871976649 /nfs/dbraw/zinc/97/66/49/871976649.db2.gz KHLQTTOWHGEVEE-MRXNPFEDSA-N -1 3 387.867 3.705 20 0 GHADHM O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)[N-]OCc1ccccc1 ZINC000776995647 882566489 /nfs/dbraw/zinc/56/64/89/882566489.db2.gz FPLQJHYZVWQTRV-QGZVFWFLSA-N -1 3 381.501 3.724 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c(C)c1C ZINC001194864488 871997547 /nfs/dbraw/zinc/99/75/47/871997547.db2.gz OLUFHWLFTPVLBH-UHFFFAOYSA-N -1 3 388.489 3.548 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000509654911 872008118 /nfs/dbraw/zinc/00/81/18/872008118.db2.gz ROHQTIDPEFHBRF-SFHVURJKSA-N -1 3 384.457 3.761 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)c(OC)cc2Br)c1 ZINC000537642284 882570895 /nfs/dbraw/zinc/57/08/95/882570895.db2.gz LCLUSIARBYXJBD-UHFFFAOYSA-N -1 3 380.238 3.987 20 0 GHADHM COC(=O)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(C)c(C)c1 ZINC001194953497 872052162 /nfs/dbraw/zinc/05/21/62/872052162.db2.gz OFGIKRQLMJYLDJ-SFHVURJKSA-N -1 3 391.427 3.702 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3cc(Br)cc(C)c3o2)[n-]1 ZINC000618920109 872158851 /nfs/dbraw/zinc/15/88/51/872158851.db2.gz RPVGPLPEAQIELN-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132803 872190505 /nfs/dbraw/zinc/19/05/05/872190505.db2.gz BGEZLPCNEBDKOH-SECBINFHSA-N -1 3 381.657 3.790 20 0 GHADHM O=S(=O)([N-]CC=C(Cl)Cl)c1cc(Cl)ccc1OC(F)(F)F ZINC001195144217 872199625 /nfs/dbraw/zinc/19/96/25/872199625.db2.gz ARQDDPYLFZZQEC-UHFFFAOYSA-N -1 3 384.590 3.836 20 0 GHADHM Cc1c(Br)scc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784787072 872224805 /nfs/dbraw/zinc/22/48/05/872224805.db2.gz NYUONCDVLDYKTC-UHFFFAOYSA-N -1 3 395.234 3.932 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195276495 872301233 /nfs/dbraw/zinc/30/12/33/872301233.db2.gz JOTOPGSBILYEHA-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000463694691 872353017 /nfs/dbraw/zinc/35/30/17/872353017.db2.gz BOXJUJCVAWGXPZ-DZGCQCFKSA-N -1 3 382.888 3.593 20 0 GHADHM C[C@H](Sc1ccc(Br)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959875 872359646 /nfs/dbraw/zinc/35/96/46/872359646.db2.gz MKHMWEOZHUVEIT-IINYFYTJSA-N -1 3 396.310 3.565 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000775652072 872380761 /nfs/dbraw/zinc/38/07/61/872380761.db2.gz DVOJGBVFJGNSEI-BBRMVZONSA-N -1 3 379.457 3.852 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000775652072 872380776 /nfs/dbraw/zinc/38/07/76/872380776.db2.gz DVOJGBVFJGNSEI-BBRMVZONSA-N -1 3 379.457 3.852 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1F ZINC001195496671 872448339 /nfs/dbraw/zinc/44/83/39/872448339.db2.gz UWWUFFUKZDCUCX-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1F ZINC001195496847 872448912 /nfs/dbraw/zinc/44/89/12/872448912.db2.gz WUISUNMJBAABFG-UHFFFAOYSA-N -1 3 388.302 3.835 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](Cc3ccccc3)c3ncco3)cc(=O)oc12 ZINC001195558055 872469714 /nfs/dbraw/zinc/46/97/14/872469714.db2.gz MOMFFSMTVMVNQE-GOSISDBHSA-N -1 3 376.412 3.869 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(C(F)F)c(Br)c2)[n-]n1 ZINC001195566447 872505891 /nfs/dbraw/zinc/50/58/91/872505891.db2.gz DWEMTGDZTZZOCL-UHFFFAOYSA-N -1 3 388.168 3.539 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(C(F)F)c(Br)c2)n[n-]1 ZINC001195566447 872505896 /nfs/dbraw/zinc/50/58/96/872505896.db2.gz DWEMTGDZTZZOCL-UHFFFAOYSA-N -1 3 388.168 3.539 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccccn2)cc1Cl ZINC001195664575 872571021 /nfs/dbraw/zinc/57/10/21/872571021.db2.gz BNTZCGGELFZVHI-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccccn2)cc1Cl ZINC001195664575 872571030 /nfs/dbraw/zinc/57/10/30/872571030.db2.gz BNTZCGGELFZVHI-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3ccccc3cc2OC(F)F)[n-]1 ZINC000619448638 872630779 /nfs/dbraw/zinc/63/07/79/872630779.db2.gz ZCLSYCAGZALNOP-UHFFFAOYSA-N -1 3 375.331 3.593 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc3ccccc3cc2OC(F)F)c[n-]1 ZINC000619448638 872630785 /nfs/dbraw/zinc/63/07/85/872630785.db2.gz ZCLSYCAGZALNOP-UHFFFAOYSA-N -1 3 375.331 3.593 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(N(CC)Cc3ccccc3)cc2)[n-]1 ZINC000619448597 872649524 /nfs/dbraw/zinc/64/95/24/872649524.db2.gz XLNNWWSQPIYODE-UHFFFAOYSA-N -1 3 392.459 3.865 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(N(CC)Cc3ccccc3)cc2)c[n-]1 ZINC000619448597 872649528 /nfs/dbraw/zinc/64/95/28/872649528.db2.gz XLNNWWSQPIYODE-UHFFFAOYSA-N -1 3 392.459 3.865 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H]2CCCN(S(=O)(=O)c3ccc([O-])cc3)C2)c1 ZINC001195784588 872659499 /nfs/dbraw/zinc/65/94/99/872659499.db2.gz POAAGGQGIJKJOD-OAHLLOKOSA-N -1 3 381.881 3.586 20 0 GHADHM O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1cccc2n[n-]nc21 ZINC000527107087 872672289 /nfs/dbraw/zinc/67/22/89/872672289.db2.gz KUCLDYRREFSFLH-UHFFFAOYSA-N -1 3 385.638 3.727 20 0 GHADHM COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527108938 872673847 /nfs/dbraw/zinc/67/38/47/872673847.db2.gz RUIKWFFEEPSBMS-HXUWFJFHSA-N -1 3 390.418 3.819 20 0 GHADHM O=S(=O)(NCC1c2ccccc2CCc2ccccc21)c1ccc([O-])cc1 ZINC001195829247 872698785 /nfs/dbraw/zinc/69/87/85/872698785.db2.gz SLGPGVFWFZCXGT-UHFFFAOYSA-N -1 3 379.481 3.601 20 0 GHADHM O=S(=O)(NCc1csc(-c2ccc(Cl)cc2)n1)c1ccc([O-])cc1 ZINC001195842777 872709817 /nfs/dbraw/zinc/70/98/17/872709817.db2.gz QZNJXGIMDPGWGH-UHFFFAOYSA-N -1 3 380.878 3.648 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)c1F ZINC000541006335 872734303 /nfs/dbraw/zinc/73/43/03/872734303.db2.gz LKOIKELGWGDLRU-UHFFFAOYSA-N -1 3 394.537 3.526 20 0 GHADHM CN(C)c1cccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151257833 872736983 /nfs/dbraw/zinc/73/69/83/872736983.db2.gz YSEFKFGBMPSDRQ-UHFFFAOYSA-N -1 3 392.297 3.562 20 0 GHADHM CCOC(=O)[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)Cc1ccccc1 ZINC000527163522 872765357 /nfs/dbraw/zinc/76/53/57/872765357.db2.gz DKEMRDXNJYLMOQ-IBGZPJMESA-N -1 3 377.440 3.697 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000527279306 872890362 /nfs/dbraw/zinc/89/03/62/872890362.db2.gz HCESBGLSAMGYFF-SZVBFZGTSA-N -1 3 398.890 3.713 20 0 GHADHM O=c1cc(CN2CCOC[C@@H]2c2cc(F)cc(F)c2)nc(-c2ccccc2)[n-]1 ZINC001196142847 872894445 /nfs/dbraw/zinc/89/44/45/872894445.db2.gz UGMIXKQLQKYOFL-LJQANCHMSA-N -1 3 383.398 3.701 20 0 GHADHM O=c1[nH]c2ccccc2cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001196153700 872915992 /nfs/dbraw/zinc/91/59/92/872915992.db2.gz CAKJHYPQACEWHM-UHFFFAOYSA-N -1 3 383.256 3.726 20 0 GHADHM O=S(=O)([N-]Cc1ccc(SC(F)(F)F)cc1)c1ccc(Cl)cn1 ZINC001196253262 872971931 /nfs/dbraw/zinc/97/19/31/872971931.db2.gz PNNLOACXHUWCIL-UHFFFAOYSA-N -1 3 382.816 3.825 20 0 GHADHM CCCCc1nc(NC(=O)Cc2cnc3ccccc3c2)c(C(=O)OCC)[n-]1 ZINC000191963158 882686011 /nfs/dbraw/zinc/68/60/11/882686011.db2.gz BGPJTADVZSNYKC-UHFFFAOYSA-N -1 3 380.448 3.658 20 0 GHADHM C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000921191758 882683103 /nfs/dbraw/zinc/68/31/03/882683103.db2.gz ONVNQFCMYOCCGU-HXUWFJFHSA-N -1 3 391.393 3.714 20 0 GHADHM O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cccc2n[n-]nc21 ZINC000527355113 873072428 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CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174912374 882730341 /nfs/dbraw/zinc/73/03/41/882730341.db2.gz MOYKPXLTFHEYJL-LJQANCHMSA-N -1 3 378.419 3.572 20 0 GHADHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134095438 882731167 /nfs/dbraw/zinc/73/11/67/882731167.db2.gz ZAMDTIWJWVLYKD-UHFFFAOYSA-N -1 3 380.351 3.885 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448694272 873784562 /nfs/dbraw/zinc/78/45/62/873784562.db2.gz LGZKXNWORKBXND-GJZGRUSLSA-N -1 3 384.451 3.831 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])c(C)n1[C@@H]1CCOC1 ZINC000527929953 873805763 /nfs/dbraw/zinc/80/57/63/873805763.db2.gz IMZNSCDUBWGBLG-CYBMUJFWSA-N -1 3 379.254 3.787 20 0 GHADHM COc1cc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)ccc1OCC(C)C ZINC000448686937 873806165 /nfs/dbraw/zinc/80/61/65/873806165.db2.gz NVWQSNYYZSJIBC-AWEZNQCLSA-N -1 3 375.440 3.995 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2I)n1 ZINC000541533128 873816673 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O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(F)c1Br ZINC001197599581 873933293 /nfs/dbraw/zinc/93/32/93/873933293.db2.gz BHLGDJBRANVYSI-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM O=C(c1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1)N1CCCCC1 ZINC001197601473 873935290 /nfs/dbraw/zinc/93/52/90/873935290.db2.gz ZBRRNTBLLOWLDF-UHFFFAOYSA-N -1 3 394.443 3.533 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769309101 873956285 /nfs/dbraw/zinc/95/62/85/873956285.db2.gz BTIAFIZGBACIQW-MRXNPFEDSA-N -1 3 384.517 3.553 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(OC)cc1Cl ZINC001197897524 874095780 /nfs/dbraw/zinc/09/57/80/874095780.db2.gz CSHCIRLDWVEEMV-UHFFFAOYSA-N -1 3 398.868 3.507 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1OC(C)C ZINC000122927064 882797893 /nfs/dbraw/zinc/79/78/93/882797893.db2.gz FVADXZMSJSOWBW-UHFFFAOYSA-N -1 3 388.489 3.813 20 0 GHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000302438795 874199092 /nfs/dbraw/zinc/19/90/92/874199092.db2.gz MQYNAJGNTQTJLD-SECBINFHSA-N -1 3 386.764 3.913 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1F)c1cc(Cl)ccc1Cl ZINC000541761346 874226697 /nfs/dbraw/zinc/22/66/97/874226697.db2.gz VTEYIKHGYVBNDE-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM O=C([N-]Cc1nc2ccc(Oc3ccc(Cl)cc3)cc2c(=O)[nH]1)C(F)F ZINC000769728349 874255645 /nfs/dbraw/zinc/25/56/45/874255645.db2.gz OBUUDROUXJHKHE-UHFFFAOYSA-N -1 3 379.750 3.662 20 0 GHADHM CC[C@H](C)N(C)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769741334 874277208 /nfs/dbraw/zinc/27/72/08/874277208.db2.gz JXEXLGBDQDKOHV-ZDUSSCGKSA-N -1 3 386.448 3.532 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1Cl)c1cccc(Cl)n1 ZINC001198247322 874309506 /nfs/dbraw/zinc/30/95/06/874309506.db2.gz YHYFSSJRQUJDCI-UHFFFAOYSA-N -1 3 377.318 3.600 20 0 GHADHM O=S(=O)([N-]Nc1c(F)cccc1Cl)c1cc(F)ccc1Br ZINC000769892820 874325835 /nfs/dbraw/zinc/32/58/35/874325835.db2.gz NQALCKQYPDTGJK-UHFFFAOYSA-N -1 3 397.628 3.686 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC001198339136 874360718 /nfs/dbraw/zinc/36/07/18/874360718.db2.gz UCFUBJTXKAXGGS-UHFFFAOYSA-N -1 3 386.205 3.570 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000122471300 874502050 /nfs/dbraw/zinc/50/20/50/874502050.db2.gz HIYAOXYQKULUHV-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000122471300 874502058 /nfs/dbraw/zinc/50/20/58/874502058.db2.gz HIYAOXYQKULUHV-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C)c(C(F)(F)F)c1 ZINC001198719877 874580351 /nfs/dbraw/zinc/58/03/51/874580351.db2.gz CYOVAPKKCDNNAY-UHFFFAOYSA-N -1 3 394.802 3.549 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000528451713 874598753 /nfs/dbraw/zinc/59/87/53/874598753.db2.gz MATQMBDHCCMERQ-AWEZNQCLSA-N -1 3 395.834 3.742 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=Cc1ccc(F)cc1)c1cccs1 ZINC000775906336 874671510 /nfs/dbraw/zinc/67/15/10/874671510.db2.gz CQUPWTFGLPXPRA-WQLSENKSSA-N -1 3 396.369 3.881 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(=O)[nH]c(C4CC4)c3)nc(=O)c2c1C ZINC000770581327 874768057 /nfs/dbraw/zinc/76/80/57/874768057.db2.gz GXQHANNFMLAKSR-SECBINFHSA-N -1 3 385.445 3.910 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775934792 874795528 /nfs/dbraw/zinc/79/55/28/874795528.db2.gz QEZVUCKIUCEVLC-UHFFFAOYSA-N -1 3 398.640 3.912 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000783656273 874916812 /nfs/dbraw/zinc/91/68/12/874916812.db2.gz PBCDYLBQYQSAHV-UHFFFAOYSA-N -1 3 386.314 3.613 20 0 GHADHM CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001199814697 875197290 /nfs/dbraw/zinc/19/72/90/875197290.db2.gz NDFDWNFZEXXLCH-UHFFFAOYSA-N -1 3 397.884 3.633 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)NCCC(c1ccccc1)c1ccccc1 ZINC000005060816 875210773 /nfs/dbraw/zinc/21/07/73/875210773.db2.gz JUGRQWNDIKNAGH-UHFFFAOYSA-N -1 3 389.451 3.887 20 0 GHADHM CCCc1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000105593771 875340552 /nfs/dbraw/zinc/34/05/52/875340552.db2.gz LGWGEZJKRWFAFZ-UHFFFAOYSA-N -1 3 394.443 3.610 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000528956913 875342297 /nfs/dbraw/zinc/34/22/97/875342297.db2.gz PUHWZMWJIXEOGZ-GOSISDBHSA-N -1 3 390.277 3.568 20 0 GHADHM O=c1cc(NC(=S)Nc2ccc(-n3cccn3)cc2)[n-]n1-c1ccccc1 ZINC001200874357 875375621 /nfs/dbraw/zinc/37/56/21/875375621.db2.gz SXAHNSNVPYPYMJ-UHFFFAOYSA-N -1 3 376.445 3.573 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000529007970 875403116 /nfs/dbraw/zinc/40/31/16/875403116.db2.gz HVGLYQOLFPWESU-UHFFFAOYSA-N -1 3 392.297 3.684 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000528996160 875417621 /nfs/dbraw/zinc/41/76/21/875417621.db2.gz WSVOABQYHNBWHP-CYBMUJFWSA-N -1 3 376.250 3.696 20 0 GHADHM CCCCCCNC(=S)Nc1ccc([O-])c(I)c1 ZINC001200954075 875436992 /nfs/dbraw/zinc/43/69/92/875436992.db2.gz HIDNTPKNLOCBHC-UHFFFAOYSA-N -1 3 378.279 3.864 20 0 GHADHM O=c1[n-]c(Br)cnc1NC(=S)Nc1cccc(Cl)c1Cl ZINC001201021234 875441982 /nfs/dbraw/zinc/44/19/82/875441982.db2.gz IPWHPCCPRMXSGZ-UHFFFAOYSA-N -1 3 394.081 3.648 20 0 GHADHM COc1ccc(NC(=S)NCc2cc(Cl)c([O-])c(OC)c2)cc1OC ZINC001201069173 875473342 /nfs/dbraw/zinc/47/33/42/875473342.db2.gz CXELCOLULUMRLV-UHFFFAOYSA-N -1 3 382.869 3.558 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCC1(c2cccc(Br)c2)CC1 ZINC000449868232 875543226 /nfs/dbraw/zinc/54/32/26/875543226.db2.gz JPKQKGMWNXLFBS-UHFFFAOYSA-N -1 3 378.241 3.684 20 0 GHADHM CCCc1nc2ccc([N-]S(=O)(=O)Cc3ccc(C(=O)OC)cc3)cc2o1 ZINC001201214705 875581681 /nfs/dbraw/zinc/58/16/81/875581681.db2.gz GMGKTEHSKYOFLR-UHFFFAOYSA-N -1 3 388.445 3.509 20 0 GHADHM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000123027543 882953794 /nfs/dbraw/zinc/95/37/94/882953794.db2.gz KIYHTYCZPYXOAF-SFTDATJTSA-N -1 3 376.456 3.957 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)c1 ZINC001201598813 875749951 /nfs/dbraw/zinc/74/99/51/875749951.db2.gz 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ZINC001201899889 875915988 /nfs/dbraw/zinc/91/59/88/875915988.db2.gz AXHUQLVEYVVSPA-UHFFFAOYSA-N -1 3 398.459 3.767 20 0 GHADHM Cc1ncc(-c2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc2)o1 ZINC000172884061 875987269 /nfs/dbraw/zinc/98/72/69/875987269.db2.gz KYHWXENVMRSHFY-UHFFFAOYSA-N -1 3 376.409 3.610 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000772537916 876001935 /nfs/dbraw/zinc/00/19/35/876001935.db2.gz ONGSLVHYKAWINU-CYBMUJFWSA-N -1 3 384.301 3.929 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000772537916 876001947 /nfs/dbraw/zinc/00/19/47/876001947.db2.gz ONGSLVHYKAWINU-CYBMUJFWSA-N -1 3 384.301 3.929 20 0 GHADHM COc1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(C(F)(F)F)n1 ZINC000776311944 876240985 /nfs/dbraw/zinc/24/09/85/876240985.db2.gz XPENUEPTSCIFTO-UHFFFAOYSA-N -1 3 384.379 3.838 20 0 GHADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC000777020012 883019142 /nfs/dbraw/zinc/01/91/42/883019142.db2.gz SRBCGGQXPXELTM-ZETCQYMHSA-N -1 3 393.068 3.870 20 0 GHADHM CCN1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450405052 876386483 /nfs/dbraw/zinc/38/64/83/876386483.db2.gz OLAVGGZSDCMRIM-PXNSSMCTSA-N -1 3 394.849 3.818 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000786031440 876418219 /nfs/dbraw/zinc/41/82/19/876418219.db2.gz ARQHIQSOPCJTSN-UHFFFAOYSA-N -1 3 385.376 3.819 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CCCOC(C)=O)c2)cc1 ZINC000786097077 876441966 /nfs/dbraw/zinc/44/19/66/876441966.db2.gz RJNXWGPZEGDSBL-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C3CCCCC3)c2)c(C)o1 ZINC000529648602 876446423 /nfs/dbraw/zinc/44/64/23/876446423.db2.gz HOUATKJYKIDFBT-UHFFFAOYSA-N -1 3 376.478 3.796 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000786140572 876469468 /nfs/dbraw/zinc/46/94/68/876469468.db2.gz RKQMCLNNZPYXFY-JTQLQIEISA-N -1 3 385.397 3.520 20 0 GHADHM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2sccc2c([O-])c1 ZINC000786138858 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382.439 3.997 20 0 GHADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000477173656 877176689 /nfs/dbraw/zinc/17/66/89/877176689.db2.gz BFKZVXBHVRLEOF-LJQANCHMSA-N -1 3 398.484 3.596 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](O)c1c(F)cccc1Cl ZINC000787132231 877181308 /nfs/dbraw/zinc/18/13/08/877181308.db2.gz HOQWWOYQNNSFTG-WLRWDXFRSA-N -1 3 383.822 3.885 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(C)C ZINC000530136363 877190669 /nfs/dbraw/zinc/19/06/69/877190669.db2.gz DUHHAJTUZDIOOK-UHFFFAOYSA-N -1 3 391.489 3.666 20 0 GHADHM CCN(CC)[C@@H](CN=c1[n-]nc(COC)s1)c1ccc(C(F)(F)F)cc1 ZINC000477197994 877200937 /nfs/dbraw/zinc/20/09/37/877200937.db2.gz XHAZEBOAXQMPAX-AWEZNQCLSA-N -1 3 388.459 3.620 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)[N-]C(=O)c1cccs1 ZINC000787227248 877282717 /nfs/dbraw/zinc/28/27/17/877282717.db2.gz MNESRXNORPTWGN-UHFFFAOYSA-N -1 3 388.832 3.510 20 0 GHADHM COc1cccc(C[C@@H]2CCCCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000530277445 877433087 /nfs/dbraw/zinc/43/30/87/877433087.db2.gz UTXHDYKWPXKHBS-IBGZPJMESA-N -1 3 397.519 3.754 20 0 GHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)n1 ZINC000451171684 877513977 /nfs/dbraw/zinc/51/39/77/877513977.db2.gz KPPQOJYGIXVNPG-UHFFFAOYSA-N -1 3 376.906 3.853 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc2ccccc2[nH]1 ZINC000137427084 877545759 /nfs/dbraw/zinc/54/57/59/877545759.db2.gz BDXFBXDGCXYKGN-XIKOKIGWSA-N -1 3 383.448 3.803 20 0 GHADHM COc1cc(C(=O)OCc2ccc(Cl)nc2C(F)(F)F)cc(OC)c1[O-] ZINC000787756267 877582035 /nfs/dbraw/zinc/58/20/35/877582035.db2.gz XLYBBEGNBPQIHB-UHFFFAOYSA-N -1 3 391.729 3.834 20 0 GHADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000137831168 877620043 /nfs/dbraw/zinc/62/00/43/877620043.db2.gz MDQAESUIDQERQF-UHFFFAOYSA-N -1 3 397.390 3.555 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000615345987 877642275 /nfs/dbraw/zinc/64/22/75/877642275.db2.gz LXYLXAGBCLXYMM-UHFFFAOYSA-N -1 3 377.448 3.811 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000615345987 877642292 /nfs/dbraw/zinc/64/22/92/877642292.db2.gz LXYLXAGBCLXYMM-UHFFFAOYSA-N -1 3 377.448 3.811 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NCc1ccccc1Cl ZINC000787844813 877664539 /nfs/dbraw/zinc/66/45/39/877664539.db2.gz ONHSBNQHOVIBLX-CYBMUJFWSA-N -1 3 393.842 3.756 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849435 877669741 /nfs/dbraw/zinc/66/97/41/877669741.db2.gz WICRZYJQAKXCFJ-UHFFFAOYSA-N -1 3 379.815 3.998 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCSc2ccccc21 ZINC000787851540 877671312 /nfs/dbraw/zinc/67/13/12/877671312.db2.gz ZOSKTIRVBYZYQU-UHFFFAOYSA-N -1 3 389.448 3.536 20 0 GHADHM COc1ccc(C(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000787851328 877671340 /nfs/dbraw/zinc/67/13/40/877671340.db2.gz XVPXVSHNGGOLLP-CYBMUJFWSA-N -1 3 390.407 3.686 20 0 GHADHM C[C@@H](CNC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787849934 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CCc1cccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1[O-] ZINC000530716760 878376697 /nfs/dbraw/zinc/37/66/97/878376697.db2.gz NZQVRUBTEPRPQN-QGZVFWFLSA-N -1 3 390.277 3.931 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000177051736 878539271 /nfs/dbraw/zinc/53/92/71/878539271.db2.gz GCBRXSIRJYCART-RYUDHWBXSA-N -1 3 385.851 3.880 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1Cl ZINC000460839835 878652987 /nfs/dbraw/zinc/65/29/87/878652987.db2.gz NFLJYPLCFAMLTM-UHFFFAOYSA-N -1 3 387.860 3.922 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(F)cc1F)c1c(Cl)cccc1Cl ZINC000530903708 878719055 /nfs/dbraw/zinc/71/90/55/878719055.db2.gz HMAZGFHVZFLHJO-UHFFFAOYSA-N -1 3 382.215 3.629 20 0 GHADHM CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000852988938 878731403 /nfs/dbraw/zinc/73/14/03/878731403.db2.gz XSUQDNOAYARNIK-UHFFFAOYSA-N -1 3 395.434 3.647 20 0 GHADHM O=c1[n-]c(SCCC2SCCS2)nc2c1cnn2-c1ccccc1 ZINC000853012325 878752300 /nfs/dbraw/zinc/75/23/00/878752300.db2.gz ZNWRDWKCYDIJPP-UHFFFAOYSA-N -1 3 376.532 3.809 20 0 GHADHM CN1C(=O)CCc2cc(CN[C@@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)ccc21 ZINC000853037090 878763762 /nfs/dbraw/zinc/76/37/62/878763762.db2.gz SWAMBDCYWFVVAO-GOSISDBHSA-N -1 3 392.377 3.530 20 0 GHADHM CCc1cccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1[O-] ZINC000530955458 878838871 /nfs/dbraw/zinc/83/88/71/878838871.db2.gz LWKXFEOAOYWEEK-UHFFFAOYSA-N -1 3 385.439 3.520 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc(F)c3)nc2)s1 ZINC000460963288 878872773 /nfs/dbraw/zinc/87/27/73/878872773.db2.gz ZFLBCQPEVUFQDO-UHFFFAOYSA-N -1 3 393.465 3.510 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Br)[N-]c1cnc(CC2CC2)nc1 ZINC000789750336 879262776 /nfs/dbraw/zinc/26/27/76/879262776.db2.gz QZNXCKKKQCDHPQ-BQYQJAHWSA-N -1 3 394.294 3.604 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000111578263 879275828 /nfs/dbraw/zinc/27/58/28/879275828.db2.gz OMAHDTYPUTUCGY-GFCCVEGCSA-N -1 3 390.468 3.846 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617096165 879381125 /nfs/dbraw/zinc/38/11/25/879381125.db2.gz ISMGOGGPNGODRZ-UHFFFAOYSA-N -1 3 376.511 3.544 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1Br ZINC000493367873 879398808 /nfs/dbraw/zinc/39/88/08/879398808.db2.gz WEKNCLHOQQJKFL-AAEUAGOBSA-N -1 3 386.698 3.937 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cnn(C2CCC2)c1)c1nc(C(F)(F)F)cs1 ZINC000914210395 879407772 /nfs/dbraw/zinc/40/77/72/879407772.db2.gz FZQXPNJGEWCTHX-NSHDSACASA-N -1 3 394.444 3.513 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000031564649 879703884 /nfs/dbraw/zinc/70/38/84/879703884.db2.gz RLPZNRYVZISVIW-UHFFFAOYSA-N -1 3 387.774 3.957 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)c1F ZINC000790400304 879715275 /nfs/dbraw/zinc/71/52/75/879715275.db2.gz WHLOPBCMJDUANZ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)([N-]CC1CCSCC1)c1cccc(Cl)c1Br ZINC000493895190 879724289 /nfs/dbraw/zinc/72/42/89/879724289.db2.gz 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ZINC000531528758 880032872 /nfs/dbraw/zinc/03/28/72/880032872.db2.gz UQFNESYAUOLQCN-UHFFFAOYSA-N -1 3 380.423 3.969 20 0 GHADHM CCCOc1c(OC)cc(CCNC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000452795326 880048169 /nfs/dbraw/zinc/04/81/69/880048169.db2.gz QIUZRCAQVNBPDC-UHFFFAOYSA-N -1 3 393.867 3.824 20 0 GHADHM C[C@H](NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000112677190 880069168 /nfs/dbraw/zinc/06/91/68/880069168.db2.gz LWSFTNMGSIHNLO-HNNXBMFYSA-N -1 3 396.874 3.961 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC001183441939 912528639 /nfs/dbraw/zinc/52/86/39/912528639.db2.gz FLYDBAIWNMFSJP-WMLDXEAASA-N -1 3 389.459 3.521 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC001183441939 912528690 /nfs/dbraw/zinc/52/86/90/912528690.db2.gz FLYDBAIWNMFSJP-WMLDXEAASA-N -1 3 389.459 3.521 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000247918783 880086017 /nfs/dbraw/zinc/08/60/17/880086017.db2.gz GMXIROMLYGMWBU-UHFFFAOYSA-N 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880895089 /nfs/dbraw/zinc/89/50/89/880895089.db2.gz VXHOSHDEBABJJK-UHFFFAOYSA-N -1 3 375.350 3.801 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccn(-c3ccccc3)n2)[n-]c1-c1ccccc1 ZINC000186835841 880999250 /nfs/dbraw/zinc/99/92/50/880999250.db2.gz MCDPQBXZYXRJOS-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ccn(-c3ccccc3)n2)nc1-c1ccccc1 ZINC000186835841 880999258 /nfs/dbraw/zinc/99/92/58/880999258.db2.gz MCDPQBXZYXRJOS-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1c(COc2ccccc2)cccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286208760 912630406 /nfs/dbraw/zinc/63/04/06/912630406.db2.gz WSZPBSDYLYNPGV-HNNXBMFYSA-N -1 3 378.350 3.951 20 0 GHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cccc(C)c2C)[n-]c1-c1ccccc1 ZINC000186845092 881002382 /nfs/dbraw/zinc/00/23/82/881002382.db2.gz YYLWPUOPOURKBH-MRXNPFEDSA-N -1 3 397.500 3.803 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]OCC3CCC3)C2)c2ccccc12 ZINC000856344442 881154973 /nfs/dbraw/zinc/15/49/73/881154973.db2.gz KDWKZPAUGKLZJK-KRWDZBQOSA-N -1 3 396.487 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Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000477141146 883778670 /nfs/dbraw/zinc/77/86/70/883778670.db2.gz KTQLPUYWLGJMMT-UHFFFAOYSA-N -1 3 397.378 3.542 20 0 GHADHM CC(C)(C)CC(=O)COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000805399256 883788961 /nfs/dbraw/zinc/78/89/61/883788961.db2.gz QLSGNOZIOPHBGL-FQEVSTJZSA-N -1 3 397.471 3.802 20 0 GHADHM CCc1cc2c(CSc3nnc4[nH]c5ccccc5n43)cc(=O)oc2cc1[O-] ZINC000004268553 883823127 /nfs/dbraw/zinc/82/31/27/883823127.db2.gz TYJNELOZKHFARR-UHFFFAOYSA-N -1 3 392.440 3.877 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c(C)c1 ZINC000024427033 883831673 /nfs/dbraw/zinc/83/16/73/883831673.db2.gz QXMDKJKCHIXUIS-UHFFFAOYSA-N -1 3 375.494 3.943 20 0 GHADHM Cc1ccc2sc(COC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc2c1 ZINC000859498234 883853228 /nfs/dbraw/zinc/85/32/28/883853228.db2.gz HQAJDERGCWJQAO-MRXNPFEDSA-N -1 3 396.468 3.658 20 0 GHADHM COc1cc(C(=O)OCC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000859607954 883939246 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395.312 3.639 20 0 GHADHM CSC1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CC1 ZINC000476311637 884369560 /nfs/dbraw/zinc/36/95/60/884369560.db2.gz XZHPYLCYPPRRAS-UHFFFAOYSA-N -1 3 386.702 3.749 20 0 GHADHM C[C@@H]1[C@H](C(=O)NCc2ccc([O-])c(Br)c2)CCN1c1ccccc1 ZINC000476327859 884400884 /nfs/dbraw/zinc/40/08/84/884400884.db2.gz PNYRAMSZWOKMEG-CZUORRHYSA-N -1 3 389.293 3.686 20 0 GHADHM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3(C)CCCCC3)n2)c1 ZINC000476314269 884410826 /nfs/dbraw/zinc/41/08/26/884410826.db2.gz NAKGZXYJPSDJAS-CQSZACIVSA-N -1 3 393.509 3.696 20 0 GHADHM C[C@@H](OCCCNC(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000918939666 884626235 /nfs/dbraw/zinc/62/62/35/884626235.db2.gz IYPSQWXNBXYYPL-CQSZACIVSA-N -1 3 386.473 3.670 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211634 884635016 /nfs/dbraw/zinc/63/50/16/884635016.db2.gz RIICXNJUCWZGKZ-VIFPVBQESA-N -1 3 394.909 3.512 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000914754442 884711948 /nfs/dbraw/zinc/71/19/48/884711948.db2.gz CCOPOXZZQHPTKO-UHFFFAOYSA-N -1 3 392.496 3.565 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000263437864 884854841 /nfs/dbraw/zinc/85/48/41/884854841.db2.gz VERAPTOCWQAVIK-UHFFFAOYSA-N -1 3 379.378 3.887 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914889324 885111944 /nfs/dbraw/zinc/11/19/44/885111944.db2.gz FVPGCUYZRKUSCW-UHFFFAOYSA-N -1 3 399.472 3.507 20 0 GHADHM Cc1ccc(Oc2ccccc2CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000106660706 885130928 /nfs/dbraw/zinc/13/09/28/885130928.db2.gz UPHAKKKYIDZIAJ-UHFFFAOYSA-N -1 3 391.471 3.736 20 0 GHADHM CCCCCC(=O)NC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000498689223 885316066 /nfs/dbraw/zinc/31/60/66/885316066.db2.gz SAAPCNLGMJVUBR-UHFFFAOYSA-N -1 3 396.491 3.743 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)c(Cl)n1 ZINC000807324039 885352240 /nfs/dbraw/zinc/35/22/40/885352240.db2.gz USRBGVZHCFCXRL-UHFFFAOYSA-N -1 3 387.636 3.736 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2C(C)C)cc1 ZINC000104366108 885394354 /nfs/dbraw/zinc/39/43/54/885394354.db2.gz FCIACDQLIIIGEW-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2C(C)C)cc1 ZINC000104366108 885394370 /nfs/dbraw/zinc/39/43/70/885394370.db2.gz FCIACDQLIIIGEW-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2cccc(Br)c2C1 ZINC000747395686 885406026 /nfs/dbraw/zinc/40/60/26/885406026.db2.gz HYZMMYAKZUUFII-UHFFFAOYSA-N -1 3 390.281 3.575 20 0 GHADHM O=C(OC[C@H]1CCSC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000762139260 885474326 /nfs/dbraw/zinc/47/43/26/885474326.db2.gz QMDSSWZMZOTAOC-CYBMUJFWSA-N -1 3 395.477 3.536 20 0 GHADHM CC(C)CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000107974189 885515087 /nfs/dbraw/zinc/51/50/87/885515087.db2.gz OQEITRDTEICESU-UHFFFAOYSA-N -1 3 381.904 3.842 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)onc3-c3ccccc3C)nc21 ZINC000476413901 885677725 /nfs/dbraw/zinc/67/77/25/885677725.db2.gz KKHAJKMNPBPIKH-UHFFFAOYSA-N -1 3 390.399 3.874 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000476416385 885692161 /nfs/dbraw/zinc/69/21/61/885692161.db2.gz RHMFZRNUYUAUDR-UHFFFAOYSA-N -1 3 390.399 3.819 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Br)cc1Br ZINC000153469367 885768036 /nfs/dbraw/zinc/76/80/36/885768036.db2.gz OAXPCXPFYWYDHV-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Br)cc1Br ZINC000153469367 885768045 /nfs/dbraw/zinc/76/80/45/885768045.db2.gz OAXPCXPFYWYDHV-NSHDSACASA-N -1 3 394.063 3.791 20 0 GHADHM O=C(N[C@H](C1CC1)C1CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000556698173 885938205 /nfs/dbraw/zinc/93/82/05/885938205.db2.gz PAIQGLYKXGWEDV-KRWDZBQOSA-N -1 3 375.266 3.599 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1C ZINC000537605895 886064396 /nfs/dbraw/zinc/06/43/96/886064396.db2.gz LZXIBORVYHIHAB-UHFFFAOYSA-N -1 3 386.473 3.816 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC001184108636 913006692 /nfs/dbraw/zinc/00/66/92/913006692.db2.gz ORHBXDPLXOCXTE-CQSZACIVSA-N -1 3 388.336 3.722 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000055641699 886127043 /nfs/dbraw/zinc/12/70/43/886127043.db2.gz QSLDIUCADXMBSO-BEFAXECRSA-N -1 3 382.460 3.813 20 0 GHADHM CSc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Br ZINC001168216416 886208799 /nfs/dbraw/zinc/20/87/99/886208799.db2.gz YZFOGANEOTUOFD-UHFFFAOYSA-N -1 3 381.230 3.834 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc(OC)c1[O-] ZINC000762621674 886554383 /nfs/dbraw/zinc/55/43/83/886554383.db2.gz IYMYGXJJJMIIIP-JKSUJKDBSA-N -1 3 389.448 3.511 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)c(Cl)nc3C)nc21 ZINC000808605185 886583254 /nfs/dbraw/zinc/58/32/54/886583254.db2.gz MNBKRUUJTWPUHL-UHFFFAOYSA-N -1 3 379.203 3.612 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119414455 886669495 /nfs/dbraw/zinc/66/94/95/886669495.db2.gz JEYUNPBQVRAMMF-ZETCQYMHSA-N -1 3 393.287 3.897 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3ccccc3C(C)(C)C)n[n-]c21 ZINC000808674109 886671119 /nfs/dbraw/zinc/67/11/19/886671119.db2.gz AHWRDYLVYHHFJS-UHFFFAOYSA-N -1 3 381.432 3.665 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3ccccc3C(C)(C)C)[n-]nc21 ZINC000808674109 886671121 /nfs/dbraw/zinc/67/11/21/886671121.db2.gz AHWRDYLVYHHFJS-UHFFFAOYSA-N -1 3 381.432 3.665 20 0 GHADHM COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000132293018 886778631 /nfs/dbraw/zinc/77/86/31/886778631.db2.gz RKHRGGFEYUKSSP-SNVBAGLBSA-N -1 3 397.244 3.863 20 0 GHADHM COc1cccc([C@@H](O)C2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)c1 ZINC000863736629 887337623 /nfs/dbraw/zinc/33/76/23/887337623.db2.gz SVJLZFBYJULQTK-FQEVSTJZSA-N -1 3 387.501 3.709 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000864172081 887598554 /nfs/dbraw/zinc/59/85/54/887598554.db2.gz OLEWMPNSTCWARL-VQIMIIECSA-N -1 3 384.863 3.795 20 0 GHADHM O=C(CC1CCCC1)NC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459358867 887672809 /nfs/dbraw/zinc/67/28/09/887672809.db2.gz XIETVCPBHYAKHN-UHFFFAOYSA-N -1 3 395.341 3.816 20 0 GHADHM CCOc1cc(CNc2ccc(C)cc2OCC(=O)N(C)C)cc(Cl)c1[O-] ZINC000459366125 887736019 /nfs/dbraw/zinc/73/60/19/887736019.db2.gz MZEDRTILNNQGLB-UHFFFAOYSA-N -1 3 392.883 3.832 20 0 GHADHM O=C([O-])[C@@H](CNCc1cccnc1Br)Cc1cccc(Cl)c1 ZINC000864504387 887808348 /nfs/dbraw/zinc/80/83/48/887808348.db2.gz GFXAWYKUKXMDQU-CYBMUJFWSA-N -1 3 383.673 3.531 20 0 GHADHM Cn1ncc2cc(CN[C@@H](CCC(=O)[O-])c3ccc(Cl)c(Cl)c3)cnc21 ZINC000864507688 887813620 /nfs/dbraw/zinc/81/36/20/887813620.db2.gz OVLPZEGHDLBICQ-INIZCTEOSA-N -1 3 393.274 3.971 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2c(c1)CCCC2 ZINC000614837873 887860524 /nfs/dbraw/zinc/86/05/24/887860524.db2.gz QSHNEPPCLKYQHY-HXUWFJFHSA-N -1 3 387.501 3.924 20 0 GHADHM O=S(=O)([N-]Cc1cnc(Cl)s1)c1ccc(Cl)cc1C(F)(F)F ZINC000809848664 887863876 /nfs/dbraw/zinc/86/38/76/887863876.db2.gz MYTGOXHMSILXQU-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)ccc1OC(C)C ZINC000614840377 887920999 /nfs/dbraw/zinc/92/09/99/887920999.db2.gz FZSIHBYJGZDOPV-UHFFFAOYSA-N -1 3 385.489 3.828 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](c4cccc(OC)c4)C3)cc(=O)oc2cc1[O-] ZINC000120327455 888130522 /nfs/dbraw/zinc/13/05/22/888130522.db2.gz ZNLNZTRTIQQOQX-QFIPXVFZSA-N -1 3 395.455 3.643 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000763219573 888352321 /nfs/dbraw/zinc/35/23/21/888352321.db2.gz ZYKBZESIFXUHAC-UHFFFAOYSA-N -1 3 382.367 3.993 20 0 GHADHM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000056112607 888365129 /nfs/dbraw/zinc/36/51/29/888365129.db2.gz QNLLNEUGHXKCFD-UHFFFAOYSA-N -1 3 389.455 3.587 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000810304976 888409565 /nfs/dbraw/zinc/40/95/65/888409565.db2.gz ZWGINBSAERIJSR-OLZOCXBDSA-N -1 3 382.888 3.811 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c(C)c1 ZINC000747607494 888593744 /nfs/dbraw/zinc/59/37/44/888593744.db2.gz QTEAVHMCJQMZCL-UHFFFAOYSA-N -1 3 381.425 3.510 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CCN(c4ccccc4F)C3)c2)n1 ZINC000810596636 888645243 /nfs/dbraw/zinc/64/52/43/888645243.db2.gz NCXQAKCXTUFVFE-INIZCTEOSA-N -1 3 393.418 3.729 20 0 GHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000794884409 888670442 /nfs/dbraw/zinc/67/04/42/888670442.db2.gz QIOUJYBQLALHSQ-FPLPWBNLSA-N -1 3 384.299 3.719 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(Cl)ncc1Br ZINC000810735541 888833712 /nfs/dbraw/zinc/83/37/12/888833712.db2.gz XHZUZZGXEUOULI-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810735328 888834472 /nfs/dbraw/zinc/83/44/72/888834472.db2.gz UENJMUAQUZYILT-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000810748607 888847509 /nfs/dbraw/zinc/84/75/09/888847509.db2.gz HWTQUHOWYNZFKK-MLGOLLRUSA-N -1 3 382.888 3.811 20 0 GHADHM Cc1ncccc1COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000811083056 889150592 /nfs/dbraw/zinc/15/05/92/889150592.db2.gz PRLIYDYXKKAODI-NRFANRHFSA-N -1 3 390.439 3.700 20 0 GHADHM CC[C@H](C)N1C(=O)C[C@@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321614 913336677 /nfs/dbraw/zinc/33/66/77/913336677.db2.gz DYEDWVPAOYCAQI-HXPMCKFVSA-N -1 3 399.318 3.839 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1n1ccnc1 ZINC000123943413 889453279 /nfs/dbraw/zinc/45/32/79/889453279.db2.gz GGYCJYMPYOWWQN-DYESRHJHSA-N -1 3 375.472 3.903 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)N[C@@H]1CCOc2ccccc21 ZINC000811395133 889536469 /nfs/dbraw/zinc/53/64/69/889536469.db2.gz WKCYVQWVPMYCLX-GFCCVEGCSA-N -1 3 390.848 3.680 20 0 GHADHM COc1cc(F)c(NC(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000124424623 889628096 /nfs/dbraw/zinc/62/80/96/889628096.db2.gz KMMXWIHLTLYKBA-UHFFFAOYSA-N -1 3 399.216 3.633 20 0 GHADHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1C ZINC000533159716 889871076 /nfs/dbraw/zinc/87/10/76/889871076.db2.gz SCVKYEIGXQXXPF-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM CC(C)c1ccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000811712090 889890940 /nfs/dbraw/zinc/89/09/40/889890940.db2.gz HKNZQHJZANLKGP-CYBMUJFWSA-N -1 3 387.471 3.897 20 0 GHADHM CC1(C)CC(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC(C)(C)C1 ZINC000811901811 890102628 /nfs/dbraw/zinc/10/26/28/890102628.db2.gz GXIAKDHMDIIWPV-CYBMUJFWSA-N -1 3 391.478 3.691 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000533310751 890224614 /nfs/dbraw/zinc/22/46/14/890224614.db2.gz BCVNKVAAONICTM-IEBWSBKVSA-N -1 3 383.517 3.667 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](Cc1ccccc1)c1nccs1 ZINC001170660670 890272453 /nfs/dbraw/zinc/27/24/53/890272453.db2.gz FSMGTKXCNOYCOK-INIZCTEOSA-N -1 3 378.461 3.728 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](Cc1ccccc1)c1nccs1 ZINC001170660670 890272470 /nfs/dbraw/zinc/27/24/70/890272470.db2.gz FSMGTKXCNOYCOK-INIZCTEOSA-N -1 3 378.461 3.728 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(c3cccc(C)c3)C(C)C)nc(=O)c2c1C ZINC000533365686 890351917 /nfs/dbraw/zinc/35/19/17/890351917.db2.gz NRVIGNYARFCUEM-UHFFFAOYSA-N -1 3 385.489 3.803 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000126182329 890401484 /nfs/dbraw/zinc/40/14/84/890401484.db2.gz FFKWQYZATJPKFA-HZMBPMFUSA-N -1 3 397.219 3.788 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(F)c1F ZINC001184844900 913478558 /nfs/dbraw/zinc/47/85/58/913478558.db2.gz DAYMSEFDFUVUFJ-UHFFFAOYSA-N -1 3 375.437 3.624 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC000871312524 890745006 /nfs/dbraw/zinc/74/50/06/890745006.db2.gz LMRCILPFZFOYFS-HNNXBMFYSA-N -1 3 376.378 3.808 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(CC)ccc3[O-])CC2)cc1 ZINC000812674574 890884487 /nfs/dbraw/zinc/88/44/87/890884487.db2.gz DQXDVYBIQCNYOS-QFIPXVFZSA-N -1 3 383.488 3.939 20 0 GHADHM O=c1[n-]c(SCc2nc3c(o2)CCCC3)nc2c1cnn2-c1ccccc1 ZINC000871626981 890946079 /nfs/dbraw/zinc/94/60/79/890946079.db2.gz ZBDILYSKPVTSBS-UHFFFAOYSA-N -1 3 379.445 3.680 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000644798528 913505467 /nfs/dbraw/zinc/50/54/67/913505467.db2.gz QFWLYXJCVRGWNO-QFBILLFUSA-N -1 3 388.464 3.545 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000533618983 890946497 /nfs/dbraw/zinc/94/64/97/890946497.db2.gz UQWDNAKGWSNHEB-OAHLLOKOSA-N -1 3 376.884 3.803 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCCO2)cc1 ZINC000127451740 891066947 /nfs/dbraw/zinc/06/69/47/891066947.db2.gz DZFUBXMPVMIFLX-FQEVSTJZSA-N -1 3 388.489 3.612 20 0 GHADHM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000127506309 891102523 /nfs/dbraw/zinc/10/25/23/891102523.db2.gz VYYHHXJLYRHBIM-TZIWHRDSSA-N -1 3 376.456 3.957 20 0 GHADHM COc1ccccc1[C@H]1CSCCCN1CCOc1ccccc1C(=O)[O-] ZINC000872168296 891191969 /nfs/dbraw/zinc/19/19/69/891191969.db2.gz SBEFHLLMCYMLHG-GOSISDBHSA-N -1 3 387.501 3.952 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2sccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323553 891238115 /nfs/dbraw/zinc/23/81/15/891238115.db2.gz KKYBQKQJDCVINV-QWHCGFSZSA-N -1 3 384.270 3.950 20 0 GHADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCCCC1 ZINC000128044868 891386033 /nfs/dbraw/zinc/38/60/33/891386033.db2.gz SXVFZFCTJBVOIG-ZDUSSCGKSA-N -1 3 393.484 3.653 20 0 GHADHM O=C(Nc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1)c1cccs1 ZINC000128084511 891406083 /nfs/dbraw/zinc/40/60/83/891406083.db2.gz RXLZVEIPJYJQNU-UHFFFAOYSA-N -1 3 379.401 3.631 20 0 GHADHM CSCc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)o1 ZINC000025634315 891411081 /nfs/dbraw/zinc/41/10/81/891411081.db2.gz FHJCQOUKVMCJLU-UHFFFAOYSA-N -1 3 392.487 3.783 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000067789863 891466576 /nfs/dbraw/zinc/46/65/76/891466576.db2.gz HSRNHAMGZRWPAS-UHFFFAOYSA-N -1 3 390.505 3.863 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c(-c2ccccc2)s1 ZINC001212179984 891475229 /nfs/dbraw/zinc/47/52/29/891475229.db2.gz PUHKXRBNWSHFGK-UHFFFAOYSA-N -1 3 387.530 3.770 20 0 GHADHM Cc1c(Cl)c(CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)nc2ccccc12 ZINC000873644492 891721487 /nfs/dbraw/zinc/72/14/87/891721487.db2.gz PJZYTSHROSDISX-HUUCEWRRSA-N -1 3 398.894 3.620 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000825688404 891767255 /nfs/dbraw/zinc/76/72/55/891767255.db2.gz YQHFAMXXZSEXAP-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000825688404 891767261 /nfs/dbraw/zinc/76/72/61/891767261.db2.gz YQHFAMXXZSEXAP-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3Cl)cs2)o1 ZINC000497534790 891832906 /nfs/dbraw/zinc/83/29/06/891832906.db2.gz LVYMTEVPXWRLQL-UHFFFAOYSA-N -1 3 382.850 3.712 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2cccc(Br)c2)c1 ZINC000128409605 891864588 /nfs/dbraw/zinc/86/45/88/891864588.db2.gz XVEWUDVLQKJFMR-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CCc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)s1 ZINC000825704452 891865528 /nfs/dbraw/zinc/86/55/28/891865528.db2.gz ITPBDACYTZELHK-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM CCc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)s1 ZINC000825704452 891865544 /nfs/dbraw/zinc/86/55/44/891865544.db2.gz ITPBDACYTZELHK-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c(F)c1F ZINC001185039035 913616705 /nfs/dbraw/zinc/61/67/05/913616705.db2.gz LIUQFTAEOKGKSF-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001272112470 892156576 /nfs/dbraw/zinc/15/65/76/892156576.db2.gz CFTBGYHLVBGBDU-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000536645371 892281163 /nfs/dbraw/zinc/28/11/63/892281163.db2.gz RAAZFJBFQBKSGR-UHFFFAOYSA-N -1 3 385.533 3.854 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CC[C@](C)(C(=O)[O-])C3)ccc21 ZINC000263154811 892455823 /nfs/dbraw/zinc/45/58/23/892455823.db2.gz OCJHNCASQUXERN-WNSKOXEYSA-N -1 3 393.487 3.938 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1F ZINC000917747806 892500756 /nfs/dbraw/zinc/50/07/56/892500756.db2.gz WLXRZCRSXRIIHE-OKILXGFUSA-N -1 3 396.459 3.688 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000128836037 892511131 /nfs/dbraw/zinc/51/11/31/892511131.db2.gz LORUAWUWLPILHJ-LLVKDONJSA-N -1 3 386.477 3.683 20 0 GHADHM CCCOc1ccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cc1OC ZINC000068664200 892528609 /nfs/dbraw/zinc/52/86/09/892528609.db2.gz SEYLDIQSJIZZQA-UHFFFAOYSA-N -1 3 394.475 3.804 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(C)c(Cl)c3Cl)nc21 ZINC000162481807 892586232 /nfs/dbraw/zinc/58/62/32/892586232.db2.gz VUBDXSFLUBAPLX-UHFFFAOYSA-N -1 3 379.203 3.612 20 0 GHADHM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1 ZINC001185135217 913689192 /nfs/dbraw/zinc/68/91/92/913689192.db2.gz MPCONZRTYNGUMY-UHFFFAOYSA-N -1 3 387.379 3.531 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c(=O)[n-]1 ZINC000068807459 892786938 /nfs/dbraw/zinc/78/69/38/892786938.db2.gz PPHMJJKGKUSOQL-AUUYWEPGSA-N -1 3 383.492 3.663 20 0 GHADHM [O-]c1cccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1Cl ZINC000645150317 913708756 /nfs/dbraw/zinc/70/87/56/913708756.db2.gz QQZNPDLXOQXODH-CYBMUJFWSA-N -1 3 375.774 3.594 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1ccccc1 ZINC001134497148 892956639 /nfs/dbraw/zinc/95/66/39/892956639.db2.gz CHZRHVHLRUKZOT-CQSZACIVSA-N -1 3 398.203 3.571 20 0 GHADHM CN1CCO[C@@H]([C@@H](NCc2cccc([O-])c2Cl)c2ccc(Cl)cc2)C1 ZINC000645171242 913724865 /nfs/dbraw/zinc/72/48/65/913724865.db2.gz WFZLEKGPDVDVOW-MJGOQNOKSA-N -1 3 381.303 3.861 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000288402810 913755109 /nfs/dbraw/zinc/75/51/09/913755109.db2.gz YVSWECZFNAFESV-LBPRGKRZSA-N -1 3 395.425 3.840 20 0 GHADHM FCC1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000563122099 893377238 /nfs/dbraw/zinc/37/72/38/893377238.db2.gz FVGRBDMRJPWPAG-UHFFFAOYSA-N -1 3 378.205 3.675 20 0 GHADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3ccnc(F)c3OC)on2)c1 ZINC001134837297 893382893 /nfs/dbraw/zinc/38/28/93/893382893.db2.gz ZGNUWUZLFUMXHL-UHFFFAOYSA-N -1 3 377.759 3.799 20 0 GHADHM CC[C@@H](NCc1cccc([O-])c1Br)c1nnc2n1CCCCC2 ZINC000459410530 893469296 /nfs/dbraw/zinc/46/92/96/893469296.db2.gz ZIUFLHXFSBQNNA-CYBMUJFWSA-N -1 3 379.302 3.714 20 0 GHADHM Cc1ccc(Cl)c2sc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)nc21 ZINC000288455322 913771535 /nfs/dbraw/zinc/77/15/35/913771535.db2.gz ZEISRVXLEUDIBF-UHFFFAOYSA-N -1 3 376.869 3.942 20 0 GHADHM CCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000563211333 893484390 /nfs/dbraw/zinc/48/43/90/893484390.db2.gz KCBGKDUACKICSV-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM COC1(CCOC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000815189484 893535509 /nfs/dbraw/zinc/53/55/09/893535509.db2.gz KODQGSABIJMBAG-HXUWFJFHSA-N -1 3 397.471 3.756 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)nc1 ZINC000934345137 893561161 /nfs/dbraw/zinc/56/11/61/893561161.db2.gz MQHOIZCITNFWOM-INIZCTEOSA-N -1 3 376.416 3.822 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[n-]1 ZINC000815303637 893701431 /nfs/dbraw/zinc/70/14/31/893701431.db2.gz PZTGBIOFCVSXHI-UHFFFAOYSA-N -1 3 377.372 3.540 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nn1 ZINC000129725869 893907095 /nfs/dbraw/zinc/90/70/95/893907095.db2.gz PHOPMKPAPJYVQY-LLVKDONJSA-N -1 3 397.287 3.614 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000878112834 894028467 /nfs/dbraw/zinc/02/84/67/894028467.db2.gz PLBJKDGSUXSNNB-UHFFFAOYSA-N -1 3 381.276 3.759 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(Cl)s1 ZINC000563753109 894148504 /nfs/dbraw/zinc/14/85/04/894148504.db2.gz KZRDFYLGNQLHDK-JTQLQIEISA-N -1 3 391.898 3.828 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2sccc2F)c(C(=O)OCC)c1C ZINC000459856213 894246810 /nfs/dbraw/zinc/24/68/10/894246810.db2.gz UCKYFJOJAKLARQ-UHFFFAOYSA-N -1 3 385.438 3.863 20 0 GHADHM O=c1[n-]c(CN[C@@H](c2cccc3ccccc32)C(F)(F)F)nc2c1COCC2 ZINC000878394190 894255860 /nfs/dbraw/zinc/25/58/60/894255860.db2.gz OTNDVOUAMHXPNK-SFHVURJKSA-N -1 3 389.377 3.801 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)o1 ZINC000878667508 894498173 /nfs/dbraw/zinc/49/81/73/894498173.db2.gz RYVNSLAPSBSPRG-HNNXBMFYSA-N -1 3 393.365 3.674 20 0 GHADHM CCc1csc(CC2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)n1 ZINC000878844782 894663285 /nfs/dbraw/zinc/66/32/85/894663285.db2.gz HXWZKEVGVVNJRE-UHFFFAOYSA-N -1 3 384.505 3.916 20 0 GHADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001135638204 894960259 /nfs/dbraw/zinc/96/02/59/894960259.db2.gz IWFSVTJUBFYCJW-IBGZPJMESA-N -1 3 380.444 3.801 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000023345636 895083325 /nfs/dbraw/zinc/08/33/25/895083325.db2.gz QDVGHFLXBVHHQW-UHFFFAOYSA-N -1 3 382.485 3.868 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000564650242 895156918 /nfs/dbraw/zinc/15/69/18/895156918.db2.gz NDEOOKCWYGGYNM-SFHVURJKSA-N -1 3 388.467 3.912 20 0 GHADHM CCCCc1cc([N-]S(=O)(=O)C=Cc2cccc(Br)c2)n[nH]1 ZINC000760323571 895189306 /nfs/dbraw/zinc/18/93/06/895189306.db2.gz SOUYUNJINNPYQW-HJWRWDBZSA-N -1 3 384.299 3.927 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000816980005 895236874 /nfs/dbraw/zinc/23/68/74/895236874.db2.gz CLVYIRXIKVFELL-DLBZAZTESA-N -1 3 398.503 3.795 20 0 GHADHM CCc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC000817208309 895393480 /nfs/dbraw/zinc/39/34/80/895393480.db2.gz RSMCRTMBLVLVOW-UHFFFAOYSA-N -1 3 388.508 3.818 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)s2)cc1 ZINC000565185776 895447010 /nfs/dbraw/zinc/44/70/10/895447010.db2.gz MCADPVJTIDSPJK-UHFFFAOYSA-N -1 3 381.457 3.727 20 0 GHADHM COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001135873426 895472835 /nfs/dbraw/zinc/47/28/35/895472835.db2.gz MBQFIMLYMJEILT-UHFFFAOYSA-N -1 3 395.386 3.940 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC(C)(C)C(C)C)cs2)c1 ZINC000565274944 895494453 /nfs/dbraw/zinc/49/44/53/895494453.db2.gz GDGFFLHNSSZWTG-UHFFFAOYSA-N -1 3 375.494 3.503 20 0 GHADHM CC1(C)CCc2sc([N-]C(=O)c3sccc3S(=O)(=O)C(F)F)nc21 ZINC000817468639 895694959 /nfs/dbraw/zinc/69/49/59/895694959.db2.gz OPHSLIQIZYYWIV-UHFFFAOYSA-N -1 3 392.474 3.677 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000826166807 895732204 /nfs/dbraw/zinc/73/22/04/895732204.db2.gz BOFYJLZZVWTVHN-LBPRGKRZSA-N -1 3 386.839 3.621 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000826166807 895732221 /nfs/dbraw/zinc/73/22/21/895732221.db2.gz BOFYJLZZVWTVHN-LBPRGKRZSA-N -1 3 386.839 3.621 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000774907093 914002840 /nfs/dbraw/zinc/00/28/40/914002840.db2.gz YWKSYESCMYRFPF-GZKZCVOOSA-N -1 3 379.865 3.535 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)nc1 ZINC001185696820 914024865 /nfs/dbraw/zinc/02/48/65/914024865.db2.gz QCLCQHIUUWOOSV-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000818803983 896244122 /nfs/dbraw/zinc/24/41/22/896244122.db2.gz YVJVKFMAYSCGBR-GDBMZVCRSA-N -1 3 384.517 3.555 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(COc3ccccc3)c2)s1 ZINC001185732355 914049112 /nfs/dbraw/zinc/04/91/12/914049112.db2.gz UTYXFHZXEKWHIR-UHFFFAOYSA-N -1 3 388.514 3.763 20 0 GHADHM CSc1ccc(C)c(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000826230102 896572459 /nfs/dbraw/zinc/57/24/59/896572459.db2.gz DOQHRLGUMAAHNH-GOSISDBHSA-N -1 3 397.504 3.939 20 0 GHADHM CSc1ccc(C)c(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000826230102 896572467 /nfs/dbraw/zinc/57/24/67/896572467.db2.gz DOQHRLGUMAAHNH-GOSISDBHSA-N -1 3 397.504 3.939 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-]c2ccccc2C(F)F)CC1 ZINC001185749869 914085144 /nfs/dbraw/zinc/08/51/44/914085144.db2.gz JISJXRZONUJGKE-UHFFFAOYSA-N -1 3 390.452 3.765 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000302927290 914087002 /nfs/dbraw/zinc/08/70/02/914087002.db2.gz CKGIHROJYVAONJ-CQSZACIVSA-N -1 3 392.496 3.702 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)c(C)[nH]1 ZINC000826258665 896748146 /nfs/dbraw/zinc/74/81/46/896748146.db2.gz RKTLDJOTADCJQK-CQSZACIVSA-N -1 3 386.459 3.970 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)c(C)[nH]1 ZINC000826258665 896748154 /nfs/dbraw/zinc/74/81/54/896748154.db2.gz RKTLDJOTADCJQK-CQSZACIVSA-N -1 3 386.459 3.970 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000129666057 896807458 /nfs/dbraw/zinc/80/74/58/896807458.db2.gz BRUDVHWSOOLYFR-CQSZACIVSA-N -1 3 378.428 3.538 20 0 GHADHM COc1cc(C)c([S@](C)=O)cc1OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000819676594 896896199 /nfs/dbraw/zinc/89/61/99/896896199.db2.gz AECDAKQLCWOFLT-SANMLTNESA-N -1 3 380.437 3.514 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000645901652 914116404 /nfs/dbraw/zinc/11/64/04/914116404.db2.gz BOMNMOXWCCMJIT-IIAWOOMASA-N -1 3 391.899 3.594 20 0 GHADHM Cc1nn(C)c(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)c1C(F)F ZINC000882818570 897011838 /nfs/dbraw/zinc/01/18/38/897011838.db2.gz SHNDQDKDRKOBMK-LLVKDONJSA-N -1 3 399.797 3.604 20 0 GHADHM CC(C(=O)OCCC[N-]C(=O)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000774944299 914123017 /nfs/dbraw/zinc/12/30/17/914123017.db2.gz BJYRGVBMZMMKLR-UHFFFAOYSA-N -1 3 379.378 3.604 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1cc(-c2nnn[n-]2)cs1 ZINC000819933170 897069947 /nfs/dbraw/zinc/06/99/47/897069947.db2.gz IKEHRZBZMNNEFF-UHFFFAOYSA-N -1 3 398.492 3.838 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1cc(-c2nn[n-]n2)cs1 ZINC000819933170 897069963 /nfs/dbraw/zinc/06/99/63/897069963.db2.gz IKEHRZBZMNNEFF-UHFFFAOYSA-N -1 3 398.492 3.838 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)c1 ZINC001136339971 897328248 /nfs/dbraw/zinc/32/82/48/897328248.db2.gz ZXWLDBXULKXFFD-UHFFFAOYSA-N -1 3 379.485 3.968 20 0 GHADHM CCOC(=O)c1cccc(N(CC)C(=O)c2cc([O-])cc(Br)c2)c1 ZINC001136344902 897339546 /nfs/dbraw/zinc/33/95/46/897339546.db2.gz ZAFOLAXNQGHXKD-UHFFFAOYSA-N -1 3 392.249 3.998 20 0 GHADHM Cc1ccnc(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000826310291 897423729 /nfs/dbraw/zinc/42/37/29/897423729.db2.gz QZYDSWWLFHRZFR-LBPRGKRZSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1ccnc(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1-c1nn[n-]n1 ZINC000826310291 897423736 /nfs/dbraw/zinc/42/37/36/897423736.db2.gz QZYDSWWLFHRZFR-LBPRGKRZSA-N -1 3 391.262 3.535 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000289379815 914165889 /nfs/dbraw/zinc/16/58/89/914165889.db2.gz OGOVMGGKCOQNKC-KUHUBIRLSA-N -1 3 383.492 3.740 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C(C)(C)C1 ZINC000820743424 897529069 /nfs/dbraw/zinc/52/90/69/897529069.db2.gz UGKNBDLYDXQNLA-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C(C)(C)C1 ZINC000820743424 897529076 /nfs/dbraw/zinc/52/90/76/897529076.db2.gz UGKNBDLYDXQNLA-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C(C)(C)C1 ZINC000820740853 897529537 /nfs/dbraw/zinc/52/95/37/897529537.db2.gz ADYZQODCSQIDRZ-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccnc(-c2noc(CC3CCN(Cc4cccc(C(=O)[O-])c4)CC3)n2)c1 ZINC000883411398 897569599 /nfs/dbraw/zinc/56/95/99/897569599.db2.gz XNYRLNRLHWUKRD-UHFFFAOYSA-N -1 3 392.459 3.593 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826323599 897603387 /nfs/dbraw/zinc/60/33/87/897603387.db2.gz KFIQIDHGHMCCOW-CYBMUJFWSA-N -1 3 385.493 3.992 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826323599 897603396 /nfs/dbraw/zinc/60/33/96/897603396.db2.gz KFIQIDHGHMCCOW-CYBMUJFWSA-N -1 3 385.493 3.992 20 0 GHADHM COc1ccc(OCc2nc(CN[C@]3(C(=O)[O-])CCC[C@@H](C)C3)cs2)cc1 ZINC000568116814 897609009 /nfs/dbraw/zinc/60/90/09/897609009.db2.gz OMIBJBUUESEZRC-JLTOFOAXSA-N -1 3 390.505 3.854 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826323580 897644675 /nfs/dbraw/zinc/64/46/75/897644675.db2.gz JOMYTEISFAVWHN-ZDUSSCGKSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826323580 897644679 /nfs/dbraw/zinc/64/46/79/897644679.db2.gz JOMYTEISFAVWHN-ZDUSSCGKSA-N -1 3 399.524 3.658 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000568219063 897682534 /nfs/dbraw/zinc/68/25/34/897682534.db2.gz HALNNRQPPMRXKL-UHFFFAOYSA-N -1 3 391.496 3.931 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc2c(c1)SCC(=O)N2 ZINC000568337175 897755414 /nfs/dbraw/zinc/75/54/14/897755414.db2.gz WODXRGKJRUCXSG-UHFFFAOYSA-N -1 3 391.412 3.514 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc2c(c1)SCC(=O)N2 ZINC000568337175 897755420 /nfs/dbraw/zinc/75/54/20/897755420.db2.gz WODXRGKJRUCXSG-UHFFFAOYSA-N -1 3 391.412 3.514 20 0 GHADHM C=C/C=C\CCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000883830466 898011074 /nfs/dbraw/zinc/01/10/74/898011074.db2.gz LUVDLEKHJIYLEX-NQHOJNORSA-N -1 3 381.398 3.501 20 0 GHADHM Cn1c(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nnc1C1CCC1 ZINC000826355578 898081384 /nfs/dbraw/zinc/08/13/84/898081384.db2.gz GFGFNQMFQQXIQA-UHFFFAOYSA-N -1 3 387.447 3.509 20 0 GHADHM Cn1c(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nnc1C1CCC1 ZINC000826355578 898081392 /nfs/dbraw/zinc/08/13/92/898081392.db2.gz GFGFNQMFQQXIQA-UHFFFAOYSA-N -1 3 387.447 3.509 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001136496860 898082174 /nfs/dbraw/zinc/08/21/74/898082174.db2.gz RETMNMWQEPZEQQ-UHFFFAOYSA-N -1 3 384.173 3.904 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001136496860 898082183 /nfs/dbraw/zinc/08/21/83/898082183.db2.gz RETMNMWQEPZEQQ-UHFFFAOYSA-N -1 3 384.173 3.904 20 0 GHADHM O=S(=O)([N-]c1c(O)cc(C(F)(F)F)cc1Cl)c1ccc2n[nH]cc2c1 ZINC001185996733 914222770 /nfs/dbraw/zinc/22/27/70/914222770.db2.gz OGBRKBIFJMYUOZ-UHFFFAOYSA-N -1 3 391.758 3.742 20 0 GHADHM Cc1oc(-c2cccs2)nc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289507000 914215646 /nfs/dbraw/zinc/21/56/46/914215646.db2.gz QOMWCYNZFJMGQE-GFCCVEGCSA-N -1 3 387.427 3.602 20 0 GHADHM O=C(c1ccc(Br)cc1[O-])N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001170983493 898278959 /nfs/dbraw/zinc/27/89/59/898278959.db2.gz HLKGFCCNPLJRSG-SFHVURJKSA-N -1 3 398.260 3.666 20 0 GHADHM CC(C)n1ccnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000107299058 898322696 /nfs/dbraw/zinc/32/26/96/898322696.db2.gz RJBQKJICYLUDHN-UHFFFAOYSA-N -1 3 376.888 3.674 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1)C(F)(F)F ZINC000289606949 914261780 /nfs/dbraw/zinc/26/17/80/914261780.db2.gz VKJGUHPQOVUUGR-ZDUSSCGKSA-N -1 3 379.382 3.762 20 0 GHADHM Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826375204 898566877 /nfs/dbraw/zinc/56/68/77/898566877.db2.gz CXMFGCFFNBPTMM-UHFFFAOYSA-N -1 3 398.345 3.713 20 0 GHADHM Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826375204 898566893 /nfs/dbraw/zinc/56/68/93/898566893.db2.gz CXMFGCFFNBPTMM-UHFFFAOYSA-N -1 3 398.345 3.713 20 0 GHADHM Fc1ccc(OCCCN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826376164 898623576 /nfs/dbraw/zinc/62/35/76/898623576.db2.gz QWYWPISOPJOAKN-INIZCTEOSA-N -1 3 395.360 3.668 20 0 GHADHM Fc1ccc(OCCCN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826376164 898623580 /nfs/dbraw/zinc/62/35/80/898623580.db2.gz QWYWPISOPJOAKN-INIZCTEOSA-N -1 3 395.360 3.668 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000110619694 898732061 /nfs/dbraw/zinc/73/20/61/898732061.db2.gz POZSFVVTGKUZMX-KBPBESRZSA-N -1 3 398.406 3.819 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000822978643 898734776 /nfs/dbraw/zinc/73/47/76/898734776.db2.gz PCMDCFJUMITJKK-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000822978643 898734782 /nfs/dbraw/zinc/73/47/82/898734782.db2.gz PCMDCFJUMITJKK-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@@H]1C ZINC001136652928 898735419 /nfs/dbraw/zinc/73/54/19/898735419.db2.gz GXZVYURHYWTUBY-JKSUJKDBSA-N -1 3 382.460 3.704 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823387681 899002992 /nfs/dbraw/zinc/00/29/92/899002992.db2.gz UJKNWTCGWGMGAF-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823387681 899003008 /nfs/dbraw/zinc/00/30/08/899003008.db2.gz UJKNWTCGWGMGAF-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@@]12CN([C@H](C(=O)[O-])c3ccc(Br)cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000569943144 899034982 /nfs/dbraw/zinc/03/49/82/899034982.db2.gz UZNYRVMMAYTWRP-UQZXKNLRSA-N -1 3 380.257 3.858 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823472226 899046929 /nfs/dbraw/zinc/04/69/29/899046929.db2.gz DRXXNGBUJYGEQS-UHFFFAOYSA-N -1 3 381.439 3.681 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823472226 899046943 /nfs/dbraw/zinc/04/69/43/899046943.db2.gz DRXXNGBUJYGEQS-UHFFFAOYSA-N -1 3 381.439 3.681 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823472604 899048629 /nfs/dbraw/zinc/04/86/29/899048629.db2.gz SHJGFSXZABCRBE-INIZCTEOSA-N -1 3 378.461 3.777 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823472604 899048644 /nfs/dbraw/zinc/04/86/44/899048644.db2.gz SHJGFSXZABCRBE-INIZCTEOSA-N -1 3 378.461 3.777 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2N)n1 ZINC000155844518 899136502 /nfs/dbraw/zinc/13/65/02/899136502.db2.gz QRECUINMDPEEBA-QMMMGPOBSA-N -1 3 397.291 3.623 20 0 GHADHM O=C(C[C@H]1CCc2cc(F)ccc2C1)Nc1ncc([O-])cc1Br ZINC001186146500 914329228 /nfs/dbraw/zinc/32/92/28/914329228.db2.gz FCWKWDGGISZGEE-JTQLQIEISA-N -1 3 379.229 3.823 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc1 ZINC000116711359 899303322 /nfs/dbraw/zinc/30/33/22/899303322.db2.gz PCGJHKWRUOQYTN-CQSZACIVSA-N -1 3 395.546 3.854 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000824025140 899349265 /nfs/dbraw/zinc/34/92/65/899349265.db2.gz VRBUITYHMQCZTK-SNVBAGLBSA-N -1 3 384.827 3.605 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000824025140 899349282 /nfs/dbraw/zinc/34/92/82/899349282.db2.gz VRBUITYHMQCZTK-SNVBAGLBSA-N -1 3 384.827 3.605 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1[O-] ZINC000570536613 899369145 /nfs/dbraw/zinc/36/91/45/899369145.db2.gz RPRZNAOZORHTPK-NSHDSACASA-N -1 3 378.222 3.763 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC001136836626 899453106 /nfs/dbraw/zinc/45/31/06/899453106.db2.gz IHXWMVZVKSJJOZ-OAQYLSRUSA-N -1 3 389.451 3.670 20 0 GHADHM CCOC(=O)c1sc([C@H](C)[N-]C(=O)C(F)(F)c2ccc(OC)cc2)nc1C ZINC000156194028 899514960 /nfs/dbraw/zinc/51/49/60/899514960.db2.gz ATDLUWIHMDVIBP-NSHDSACASA-N -1 3 398.431 3.606 20 0 GHADHM CC(C)c1nc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000824358542 899553821 /nfs/dbraw/zinc/55/38/21/899553821.db2.gz MUVYYEUSWYGUMP-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1nc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000824358542 899553826 /nfs/dbraw/zinc/55/38/26/899553826.db2.gz MUVYYEUSWYGUMP-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(=O)c1ccc(C(=O)NCC2(c3ccccc3Br)CC2)cc1[O-] ZINC001136921741 899761469 /nfs/dbraw/zinc/76/14/69/899761469.db2.gz MEYVEEHSLLIZTG-UHFFFAOYSA-N -1 3 388.261 3.819 20 0 GHADHM C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712752 899781873 /nfs/dbraw/zinc/78/18/73/899781873.db2.gz CPCGVZALLIVLPQ-NSHDSACASA-N -1 3 391.353 3.602 20 0 GHADHM C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712752 899781879 /nfs/dbraw/zinc/78/18/79/899781879.db2.gz CPCGVZALLIVLPQ-NSHDSACASA-N -1 3 391.353 3.602 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)C[C@H](C)O1 ZINC000332622471 899806581 /nfs/dbraw/zinc/80/65/81/899806581.db2.gz CRMUEWLILOVYTG-PEGIJTEDSA-N -1 3 396.260 3.542 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1c(F)cccc1OC(F)(F)F ZINC000571353398 899838913 /nfs/dbraw/zinc/83/89/13/899838913.db2.gz YWKAVIMBQFFRSQ-UHFFFAOYSA-N -1 3 388.342 3.684 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000825304876 900080835 /nfs/dbraw/zinc/08/08/35/900080835.db2.gz MGCLTGBWZZISGS-HNNXBMFYSA-N -1 3 383.345 3.796 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(OC)c([O-])c(OC)c2)[C@@H](C)C2CC2)cc1 ZINC000572178594 900092035 /nfs/dbraw/zinc/09/20/35/900092035.db2.gz VVAJCRPEZZPWMD-AWEZNQCLSA-N -1 3 385.460 3.859 20 0 GHADHM CCN(C(=O)c1cc(C)c(F)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380528 900135084 /nfs/dbraw/zinc/13/50/84/900135084.db2.gz PWWZAYXCWQMPFI-UHFFFAOYSA-N -1 3 377.782 3.773 20 0 GHADHM CCN(C(=O)c1cc(C)c(F)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380528 900135088 /nfs/dbraw/zinc/13/50/88/900135088.db2.gz PWWZAYXCWQMPFI-UHFFFAOYSA-N -1 3 377.782 3.773 20 0 GHADHM CCOC(=O)[C@H](CC)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825486240 900187804 /nfs/dbraw/zinc/18/78/04/900187804.db2.gz PFHNJYHDZBGGCB-LIRRHRJNSA-N -1 3 379.464 3.526 20 0 GHADHM CCOC(=O)[C@H](CC)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825486240 900187812 /nfs/dbraw/zinc/18/78/12/900187812.db2.gz PFHNJYHDZBGGCB-LIRRHRJNSA-N -1 3 379.464 3.526 20 0 GHADHM COCCc1nc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)ccc2o1 ZINC000572509262 900208664 /nfs/dbraw/zinc/20/86/64/900208664.db2.gz XMPNLUGNHJLIFD-UHFFFAOYSA-N -1 3 398.843 3.751 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Br)n1 ZINC000135243669 900208693 /nfs/dbraw/zinc/20/86/93/900208693.db2.gz PKFRNUIUOKELMB-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM 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399.369 3.612 20 0 GHADHM COc1cccc(-c2noc([C@H](C)N[C@@H]3CCC[C@H](C(F)(F)C(=O)[O-])C3)n2)c1 ZINC000901464138 921134196 /nfs/dbraw/zinc/13/41/96/921134196.db2.gz GJHQXTSGHMEYJS-FPMFFAJLSA-N -1 3 395.406 3.675 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Br)c1C ZINC000176189892 905780883 /nfs/dbraw/zinc/78/08/83/905780883.db2.gz LUYCFGRFPNEZCD-UHFFFAOYSA-N -1 3 378.270 3.699 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000901502727 921178474 /nfs/dbraw/zinc/17/84/74/921178474.db2.gz WRMCDHXTULAUIP-GOSISDBHSA-N -1 3 387.911 3.888 20 0 GHADHM COc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176627955 905899408 /nfs/dbraw/zinc/89/94/08/905899408.db2.gz CWLOEGQSWRZUHD-UHFFFAOYSA-N -1 3 388.851 3.545 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000628366337 906072864 /nfs/dbraw/zinc/07/28/64/906072864.db2.gz KMCRVVSILCOYQC-UHFFFAOYSA-N -1 3 394.240 3.977 20 0 GHADHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000901527306 921205010 /nfs/dbraw/zinc/20/50/10/921205010.db2.gz YLXZQOHXCDLWNQ-ACJLOTCBSA-N -1 3 390.281 3.526 20 0 GHADHM [O-]c1cncc(-c2nc(-c3cc(I)ccc3Cl)no2)c1 ZINC001212708688 906236693 /nfs/dbraw/zinc/23/66/93/906236693.db2.gz OZURMZYIBGUADU-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM CCC(CC)(C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc(Cl)c(Cl)c1 ZINC000179095508 906427961 /nfs/dbraw/zinc/42/79/61/906427961.db2.gz WBELMSKRGRRZIC-UHFFFAOYSA-N -1 3 394.302 3.719 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000179527810 906522284 /nfs/dbraw/zinc/52/22/84/906522284.db2.gz VEZIVJCOXMLFJG-OAQYLSRUSA-N -1 3 385.464 3.983 20 0 GHADHM CCOC(=O)c1c([N-]c2ccc(S(C)(=O)=O)cc2)onc1-c1ccccc1 ZINC001173941030 906757017 /nfs/dbraw/zinc/75/70/17/906757017.db2.gz IASHDPPILKUFSL-UHFFFAOYSA-N -1 3 386.429 3.665 20 0 GHADHM CCOc1nnc(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)[n-]1 ZINC001174746026 907204407 /nfs/dbraw/zinc/20/44/07/907204407.db2.gz YQFGAPYHGWBTJX-UHFFFAOYSA-N -1 3 397.382 3.522 20 0 GHADHM CCOc1nc(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)n[n-]1 ZINC001174746026 907204424 /nfs/dbraw/zinc/20/44/24/907204424.db2.gz YQFGAPYHGWBTJX-UHFFFAOYSA-N -1 3 397.382 3.522 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)n1 ZINC001174746026 907204443 /nfs/dbraw/zinc/20/44/43/907204443.db2.gz YQFGAPYHGWBTJX-UHFFFAOYSA-N -1 3 397.382 3.522 20 0 GHADHM COc1ccc(N[C@H](C)c2ccccc2OC(F)F)cc1[N-]S(C)(=O)=O ZINC000182728426 907257189 /nfs/dbraw/zinc/25/71/89/907257189.db2.gz SUFIOQHAKCSUNA-LLVKDONJSA-N -1 3 386.420 3.841 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182885797 907282353 /nfs/dbraw/zinc/28/23/53/907282353.db2.gz ZGZPDXQNWTYBNV-ACJLOTCBSA-N -1 3 385.464 3.982 20 0 GHADHM COC([O-])=NC(=S)N(c1cccc(C(=O)OC(C)C)c1)c1ccccc1N ZINC001174916851 907287181 /nfs/dbraw/zinc/28/71/81/907287181.db2.gz HWYWFKQGJNWVGD-UHFFFAOYSA-N -1 3 387.461 3.613 20 0 GHADHM COC(=O)N=C([S-])N(c1cccc(C(=O)OC(C)C)c1)c1ccccc1N ZINC001174916851 907287198 /nfs/dbraw/zinc/28/71/98/907287198.db2.gz HWYWFKQGJNWVGD-UHFFFAOYSA-N -1 3 387.461 3.613 20 0 GHADHM CCOc1cc(F)c(Nc2nc[n-]c(=O)c2CC(OCC)OCC)cc1F ZINC001175056552 907335677 /nfs/dbraw/zinc/33/56/77/907335677.db2.gz XYNZPLBUSBHTJJ-UHFFFAOYSA-N -1 3 383.395 3.544 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000183482123 907397675 /nfs/dbraw/zinc/39/76/75/907397675.db2.gz GJGAOTCMVKJWAM-SNVBAGLBSA-N -1 3 392.550 3.660 20 0 GHADHM COc1ncc([N-]c2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)s1 ZINC001175387136 907531140 /nfs/dbraw/zinc/53/11/40/907531140.db2.gz MVMORZBYGMTYGQ-VIFPVBQESA-N -1 3 382.511 3.734 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000184205200 907536572 /nfs/dbraw/zinc/53/65/72/907536572.db2.gz BLYJTSOGXOVEKR-UHFFFAOYSA-N -1 3 385.493 3.654 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000184581408 907613317 /nfs/dbraw/zinc/61/33/17/907613317.db2.gz KOPQALJUPQWOEU-MRAWALMUSA-N -1 3 383.448 3.592 20 0 GHADHM COC([O-])=NC(=S)N(c1cccc(OC(F)(F)F)c1)c1ccccc1N ZINC001176540183 908164203 /nfs/dbraw/zinc/16/42/03/908164203.db2.gz QOXLXYJZTXUZRL-UHFFFAOYSA-N -1 3 385.367 3.946 20 0 GHADHM COC(=O)N=C([S-])N(c1cccc(OC(F)(F)F)c1)c1ccccc1N ZINC001176540183 908164215 /nfs/dbraw/zinc/16/42/15/908164215.db2.gz QOXLXYJZTXUZRL-UHFFFAOYSA-N -1 3 385.367 3.946 20 0 GHADHM O=C([O-])C[C@H](c1ccccc1)C1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000901599535 921385943 /nfs/dbraw/zinc/38/59/43/921385943.db2.gz QIXQRUKULWHUNX-GOSISDBHSA-N -1 3 381.428 3.857 20 0 GHADHM CCc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000189818422 908378747 /nfs/dbraw/zinc/37/87/47/908378747.db2.gz VUENXGBKHCIGMF-UHFFFAOYSA-N -1 3 385.439 3.520 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)c1 ZINC000633735458 908456545 /nfs/dbraw/zinc/45/65/45/908456545.db2.gz MBYNCPMNKRPLAM-UHFFFAOYSA-N -1 3 378.350 3.568 20 0 GHADHM CCCCS(=O)(=O)Cc1nc(=O)c2c(C)c(-c3ccccc3)sc2[n-]1 ZINC000190411245 908482181 /nfs/dbraw/zinc/48/21/81/908482181.db2.gz VRURWOIZYBFUBW-UHFFFAOYSA-N -1 3 376.503 3.675 20 0 GHADHM CC(C)C(=O)[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001177526456 908619572 /nfs/dbraw/zinc/61/95/72/908619572.db2.gz JFGBWDRHDCCHQF-KRWDZBQOSA-N -1 3 382.847 3.878 20 0 GHADHM O=c1nc(CN2CCO[C@H](C(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000634755453 908820455 /nfs/dbraw/zinc/82/04/55/908820455.db2.gz ZJVJANDPIGVQTG-LBPRGKRZSA-N -1 3 381.404 3.513 20 0 GHADHM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000773736933 908996135 /nfs/dbraw/zinc/99/61/35/908996135.db2.gz PAABFCDJFKIUBV-UHFFFAOYSA-N -1 3 381.457 3.558 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901677757 921462483 /nfs/dbraw/zinc/46/24/83/921462483.db2.gz LYLPWGFTMZXGED-IBGZPJMESA-N -1 3 385.508 3.626 20 0 GHADHM Cc1ccnc(Oc2ccc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)cc2)c1 ZINC001179183813 909400495 /nfs/dbraw/zinc/40/04/95/909400495.db2.gz WZCFGXFXSDHFQL-NSHDSACASA-N -1 3 391.353 3.810 20 0 GHADHM CCCOc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OCCC ZINC000636112698 909432735 /nfs/dbraw/zinc/43/27/35/909432735.db2.gz CLDZXPQUEAANPQ-UHFFFAOYSA-N -1 3 387.480 3.733 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCc2cccc(Br)c2)n1 ZINC000636112971 909433258 /nfs/dbraw/zinc/43/32/58/909433258.db2.gz BVFFFPWEAMHVNA-UHFFFAOYSA-N -1 3 392.297 3.627 20 0 GHADHM C[C@H](CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)C(=O)c1ccc(Cl)cc1 ZINC000636321246 909541157 /nfs/dbraw/zinc/54/11/57/909541157.db2.gz ZDEASMBQQPEMLX-GFCCVEGCSA-N -1 3 387.867 3.628 20 0 GHADHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Br)c1 ZINC000636320527 909541624 /nfs/dbraw/zinc/54/16/24/909541624.db2.gz GSTXNOSZMAXYEK-LLVKDONJSA-N -1 3 390.281 3.632 20 0 GHADHM COC(=O)c1cc(NC(=O)c2csc(C(F)(F)F)c2)c([O-])c(OC)c1 ZINC001179886015 909806072 /nfs/dbraw/zinc/80/60/72/909806072.db2.gz IHIYYZGOXBPXMG-UHFFFAOYSA-N -1 3 375.324 3.520 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(-c2ccccc2)on1 ZINC001179949070 909823942 /nfs/dbraw/zinc/82/39/42/909823942.db2.gz RCBTULYHDSLOII-UHFFFAOYSA-N -1 3 388.383 3.674 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc(-c2ccccc2)on1 ZINC001179949070 909823962 /nfs/dbraw/zinc/82/39/62/909823962.db2.gz RCBTULYHDSLOII-UHFFFAOYSA-N -1 3 388.383 3.674 20 0 GHADHM CC(C)c1coc([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000637638102 909892458 /nfs/dbraw/zinc/89/24/58/909892458.db2.gz TUWJWBRKICIQQU-UHFFFAOYSA-N -1 3 383.305 3.789 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccccc2OCCCCO)CC1 ZINC000637884906 909995458 /nfs/dbraw/zinc/99/54/58/909995458.db2.gz UYFCGLXPYAZZBB-UHFFFAOYSA-N -1 3 383.488 3.638 20 0 GHADHM CC(C)c1c([N-]S(=O)(=O)C[C@@H]2CCCOC2)cnn1-c1ccc(Cl)cc1 ZINC000795354825 910041178 /nfs/dbraw/zinc/04/11/78/910041178.db2.gz UPVJGCVJHVILMF-CQSZACIVSA-N -1 3 397.928 3.817 20 0 GHADHM COc1cc(C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc(OC)c1[O-] ZINC000801850661 921547552 /nfs/dbraw/zinc/54/75/52/921547552.db2.gz MGOAVDRCCFYPFH-UHFFFAOYSA-N -1 3 385.199 3.756 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)cc1[O-] ZINC001180371948 910129381 /nfs/dbraw/zinc/12/93/81/910129381.db2.gz PPZSTOZDTDSRAN-UHFFFAOYSA-N -1 3 392.184 3.625 20 0 GHADHM CN(CCCn1ccnc1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000269136435 910157039 /nfs/dbraw/zinc/15/70/39/910157039.db2.gz SHHLAIGYGIIXEE-UHFFFAOYSA-N -1 3 397.479 3.922 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269686741 910334924 /nfs/dbraw/zinc/33/49/24/910334924.db2.gz NFRVCNQAMPQDRE-OXJNMPFZSA-N -1 3 380.419 3.808 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H](C)Oc3ccc(C=O)cc3)n[n-]2)cc1 ZINC001180842119 910374589 /nfs/dbraw/zinc/37/45/89/910374589.db2.gz AUACSZHVEQTCFV-CQSZACIVSA-N -1 3 396.472 3.624 20 0 GHADHM CCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H](C)c1cccnc1 ZINC000640292268 910953099 /nfs/dbraw/zinc/95/30/99/910953099.db2.gz JGXXLSOBDZUABA-JTQLQIEISA-N -1 3 375.782 3.531 20 0 GHADHM CC(C)[C@H](CC(F)(F)F)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301905 910960050 /nfs/dbraw/zinc/96/00/50/910960050.db2.gz MOZCXBPNKDVOME-QMMMGPOBSA-N -1 3 380.720 3.619 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2Br)C2CC2)o1 ZINC000640307757 910961985 /nfs/dbraw/zinc/96/19/85/910961985.db2.gz HVRBMYSXDANNLY-MFKMUULPSA-N -1 3 393.285 3.517 20 0 GHADHM CCN(CC1CCN(C(=O)c2ccc(C)cc2[O-])CC1)C(=O)OC(C)(C)C ZINC000091991361 911362406 /nfs/dbraw/zinc/36/24/06/911362406.db2.gz RCKVAGLDGNQIOU-UHFFFAOYSA-N -1 3 376.497 3.810 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000641386894 911399644 /nfs/dbraw/zinc/39/96/44/911399644.db2.gz MMVCJYNQTRRLCJ-CVEARBPZSA-N -1 3 385.432 3.588 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc21 ZINC001182280496 911412997 /nfs/dbraw/zinc/41/29/97/911412997.db2.gz DIAVJXSSBJVXLC-UHFFFAOYSA-N -1 3 395.419 3.615 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@H](CNCc1ncc(Br)s1)CCC2 ZINC000901881492 921685251 /nfs/dbraw/zinc/68/52/51/921685251.db2.gz QZYBKXKVHGRBTF-LBPRGKRZSA-N -1 3 381.295 3.814 20 0 GHADHM COc1c(Br)cccc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000901891346 921703978 /nfs/dbraw/zinc/70/39/78/921703978.db2.gz RNPCUSPATAJTGM-CVEARBPZSA-N -1 3 390.277 3.758 20 0 GHADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000642443740 912079106 /nfs/dbraw/zinc/07/91/06/912079106.db2.gz YSJBKIWVAXRJMH-SFHVURJKSA-N -1 3 393.516 3.586 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC001182926946 912106085 /nfs/dbraw/zinc/10/60/85/912106085.db2.gz XZEKCHIHXTUYDV-MRVPVSSYSA-N -1 3 392.670 3.510 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c1 ZINC001187048987 914983680 /nfs/dbraw/zinc/98/36/80/914983680.db2.gz VXJDHOMJWKMKNL-KRWDZBQOSA-N -1 3 391.464 3.740 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCOc2cccc(C(C)(C)C)c2)c(F)c1F ZINC001187057677 914992943 /nfs/dbraw/zinc/99/29/43/914992943.db2.gz YNOUPKMNJAXUKF-UHFFFAOYSA-N -1 3 383.460 3.928 20 0 GHADHM CO[C@@H](CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C1CC1 ZINC000647116421 915032967 /nfs/dbraw/zinc/03/29/67/915032967.db2.gz ZESALEPACWGUTC-AWEZNQCLSA-N -1 3 376.869 3.692 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1ccno1)c1ccccc1Cl ZINC001187361659 915195467 /nfs/dbraw/zinc/19/54/67/915195467.db2.gz BCOGDHFJACEQBZ-GOSISDBHSA-N -1 3 392.864 3.546 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1ccncc1C(F)(F)F ZINC001187607895 915379573 /nfs/dbraw/zinc/37/95/73/915379573.db2.gz JTPNMRNLXRKANB-UHFFFAOYSA-N -1 3 380.391 3.660 20 0 GHADHM COC(=O)c1ccc(NC(=O)Nc2cc(Br)c(C)cc2[O-])cc1 ZINC001187794004 915515607 /nfs/dbraw/zinc/51/56/07/915515607.db2.gz WQCPJASOPFJUCP-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000292142024 915532503 /nfs/dbraw/zinc/53/25/03/915532503.db2.gz MAABZIONVXYTHJ-LBPRGKRZSA-N -1 3 381.457 3.666 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)nc1Cl ZINC001187980881 915661890 /nfs/dbraw/zinc/66/18/90/915661890.db2.gz QKCIEQWMHAWMGL-GZMMTYOYSA-N -1 3 379.215 3.501 20 0 GHADHM O=S(=O)([N-]Cc1cnc(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188084630 915744885 /nfs/dbraw/zinc/74/48/85/915744885.db2.gz MVSLZBLSYOXOLK-UHFFFAOYSA-N -1 3 387.075 3.569 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-c1cccnc1)c1cnc(Cl)c(Cl)c1 ZINC001188085210 915745140 /nfs/dbraw/zinc/74/51/40/915745140.db2.gz WUICMOGNOXRPSA-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM CC(C)CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCOCC1 ZINC001188097988 915755511 /nfs/dbraw/zinc/75/55/11/915755511.db2.gz SXZABDIMYDVSNP-UHFFFAOYSA-N -1 3 381.325 3.510 20 0 GHADHM Cc1cccc(C[N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)n1 ZINC001188167513 915789456 /nfs/dbraw/zinc/78/94/56/915789456.db2.gz KTAPBNACQOXBDC-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)OCc2ccccc2)sc1Cl ZINC001188244820 915820999 /nfs/dbraw/zinc/82/09/99/915820999.db2.gz BSQXQJPOFBKLQW-LBPRGKRZSA-N -1 3 387.910 3.510 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)c1noc(-c2ccccc2)n1 ZINC001188213468 915833822 /nfs/dbraw/zinc/83/38/22/915833822.db2.gz AHUFZLDPTWJIPC-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM Cc1c([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)n[nH]c1-c1ccccc1 ZINC000775169523 916014200 /nfs/dbraw/zinc/01/42/00/916014200.db2.gz IRIMIEILUVIDTO-UHFFFAOYSA-N -1 3 381.457 3.950 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001188562240 916031341 /nfs/dbraw/zinc/03/13/41/916031341.db2.gz HNODTHCVPMYUJI-MRXNPFEDSA-N -1 3 389.377 3.614 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c(-c2ccccc2)s1 ZINC001188607435 916053419 /nfs/dbraw/zinc/05/34/19/916053419.db2.gz NJWQDSDQMRPWMO-CVEARBPZSA-N -1 3 380.535 3.600 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)c2c1 ZINC000649396208 916138860 /nfs/dbraw/zinc/13/88/60/916138860.db2.gz QCWOFADDFSSTQJ-PONJGIIJSA-N -1 3 384.476 3.713 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c(F)c1F ZINC000775192715 916149862 /nfs/dbraw/zinc/14/98/62/916149862.db2.gz QQKYAKMWGMRMTL-UHFFFAOYSA-N -1 3 397.374 3.872 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC001188859958 916236367 /nfs/dbraw/zinc/23/63/67/916236367.db2.gz QDAYFGJGEASBCX-UHFFFAOYSA-N -1 3 391.836 3.732 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)nnc1Cl)c1ccc(Oc2cccnc2)cc1 ZINC001188857171 916260672 /nfs/dbraw/zinc/26/06/72/916260672.db2.gz FHKZSGYRRWGQDF-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1OC(F)F ZINC001188857332 916262313 /nfs/dbraw/zinc/26/23/13/916262313.db2.gz IEMJJXLBGFNYBC-SSDOTTSWSA-N -1 3 399.312 3.884 20 0 GHADHM C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000293773251 916374486 /nfs/dbraw/zinc/37/44/86/916374486.db2.gz YOMPSCUPGYKYKO-CQSZACIVSA-N -1 3 387.480 3.754 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c(F)cc1Br ZINC001189147115 916429842 /nfs/dbraw/zinc/42/98/42/916429842.db2.gz WIMOBWJLEBITLR-SNVBAGLBSA-N -1 3 388.258 3.642 20 0 GHADHM Cc1cc(NC([O-])=C(C[C@@H]2CCCO2)C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000649901069 916509843 /nfs/dbraw/zinc/50/98/43/916509843.db2.gz FTCHGHKMKQHDFT-JKSUJKDBSA-N -1 3 381.398 3.597 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189384749 916580987 /nfs/dbraw/zinc/58/09/87/916580987.db2.gz ARHXHVVSORFCLQ-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccc(OC(F)(F)F)cc1F ZINC001189453830 916657556 /nfs/dbraw/zinc/65/75/56/916657556.db2.gz VQAWCLQPPUDGOX-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC001189515355 916696133 /nfs/dbraw/zinc/69/61/33/916696133.db2.gz LASISRJCFQWQQY-SNVBAGLBSA-N -1 3 382.894 3.998 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1nc(Cl)ccc1Br ZINC001189651828 916814162 /nfs/dbraw/zinc/81/41/62/916814162.db2.gz YBITXOYPRJSUGF-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001189755214 916881145 /nfs/dbraw/zinc/88/11/45/916881145.db2.gz LNPPCQGJZMFHCW-VNQPRFMTSA-N -1 3 399.409 3.958 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N(Cc1c[nH]cn1)Cc1ccccc1 ZINC001189763681 916898852 /nfs/dbraw/zinc/89/88/52/916898852.db2.gz XKMLDPIXWIJCCU-UHFFFAOYSA-N -1 3 391.349 3.857 20 0 GHADHM COc1cc(OC)cc([C@H](C)NC(=O)c2cccc(OC(F)(F)F)c2[O-])c1 ZINC001189764460 916900153 /nfs/dbraw/zinc/90/01/53/916900153.db2.gz DGBSHBXEMKTHIC-JTQLQIEISA-N -1 3 385.338 3.799 20 0 GHADHM Cc1cnc([C@@H](C)Sc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)cn1 ZINC001189788730 916923465 /nfs/dbraw/zinc/92/34/65/916923465.db2.gz JSQUNZCJNIHLNH-CYBMUJFWSA-N -1 3 378.461 3.532 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2ccc(F)cc21)c1cc2nc(Cl)ncc2s1 ZINC001189970124 917000095 /nfs/dbraw/zinc/00/00/95/917000095.db2.gz CALUBBCUIJZZKJ-GFCCVEGCSA-N -1 3 397.884 3.840 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000650505832 917041745 /nfs/dbraw/zinc/04/17/45/917041745.db2.gz RNPRWQCULKSAHD-VQTJNVASSA-N -1 3 386.536 3.977 20 0 GHADHM CN1CCc2ccc([N-]S(=O)(=O)c3cc(F)cc(C(F)(F)F)c3)cc2C1 ZINC001189990918 917050538 /nfs/dbraw/zinc/05/05/38/917050538.db2.gz CWSHSWOCTQWXBS-UHFFFAOYSA-N -1 3 388.386 3.633 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC3(CC2)O[C@@H](C)c2ccccc23)c(OC)c1 ZINC001190137479 917122216 /nfs/dbraw/zinc/12/22/16/917122216.db2.gz LTYLHSXBRYWUMR-AWEZNQCLSA-N -1 3 383.444 3.632 20 0 GHADHM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC001190260185 917217562 /nfs/dbraw/zinc/21/75/62/917217562.db2.gz VZAKHHGZPNZYJW-UHFFFAOYSA-N -1 3 388.411 3.576 20 0 GHADHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001190273119 917224365 /nfs/dbraw/zinc/22/43/65/917224365.db2.gz BTIJOZQXHBOALB-UHFFFAOYSA-N -1 3 392.830 3.973 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1(Cl)Cl ZINC001190428724 917332874 /nfs/dbraw/zinc/33/28/74/917332874.db2.gz IXQSBSMOWJCRRS-SNVBAGLBSA-N -1 3 396.189 3.587 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1-n1cnc(C)c1 ZINC001190507724 917372827 /nfs/dbraw/zinc/37/28/27/917372827.db2.gz VWYLPLZHKQNNRJ-UHFFFAOYSA-N -1 3 383.473 3.868 20 0 GHADHM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1csc(-c2ccccc2)n1 ZINC001190620216 917425190 /nfs/dbraw/zinc/42/51/90/917425190.db2.gz CNVLXOBVGTUBQZ-AWEZNQCLSA-N -1 3 388.539 3.978 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2ccc(C)cc21 ZINC001190609939 917445932 /nfs/dbraw/zinc/44/59/32/917445932.db2.gz ZQSAFLSHWRGDCQ-KRWDZBQOSA-N -1 3 393.892 3.791 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(Br)n1 ZINC001190687916 917514113 /nfs/dbraw/zinc/51/41/13/917514113.db2.gz PJXBJJCXWIAJMC-GJZGRUSLSA-N -1 3 395.322 3.706 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(C(F)(F)F)c(OC)c1 ZINC001190807115 917576258 /nfs/dbraw/zinc/57/62/58/917576258.db2.gz KSQJYAVUNXUPLF-UHFFFAOYSA-N -1 3 387.285 3.598 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1F)c1ccncc1 ZINC001190896112 917637694 /nfs/dbraw/zinc/63/76/94/917637694.db2.gz CJJFBHVCTBNGSU-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001191053810 917727415 /nfs/dbraw/zinc/72/74/15/917727415.db2.gz JOLZULIFWYTRIK-SKDRFNHKSA-N -1 3 399.319 3.600 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC001191172127 917800436 /nfs/dbraw/zinc/80/04/36/917800436.db2.gz URXWBIFHDFKZMO-UHFFFAOYSA-N -1 3 392.290 3.598 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(CC(OC)OC)cc2)cc1 ZINC001191252421 917848371 /nfs/dbraw/zinc/84/83/71/917848371.db2.gz AYYIEGYFSXMRGO-UHFFFAOYSA-N -1 3 377.506 3.991 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3cc(F)c(Cl)cc3Cl)n[nH]2)cc(=O)[n-]1 ZINC001191268677 917881595 /nfs/dbraw/zinc/88/15/95/917881595.db2.gz GAUBFISSBXYCTJ-UHFFFAOYSA-N -1 3 382.182 3.579 20 0 GHADHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000652441278 917899196 /nfs/dbraw/zinc/89/91/96/917899196.db2.gz CMHRTSCTHJAABW-KBXCAEBGSA-N -1 3 378.428 3.864 20 0 GHADHM O=C([N-]c1cncc(Br)c1Cl)c1cc(Br)no1 ZINC001191329581 917937536 /nfs/dbraw/zinc/93/75/36/917937536.db2.gz ZQURINAZEIKSMG-UHFFFAOYSA-N -1 3 381.411 3.500 20 0 GHADHM CC(=O)c1ccc(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)cc1[O-] ZINC000653036476 918095836 /nfs/dbraw/zinc/09/58/36/918095836.db2.gz NCIUXHPHFNPPLI-UHFFFAOYSA-N -1 3 396.365 3.596 20 0 GHADHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001191738230 918188120 /nfs/dbraw/zinc/18/81/20/918188120.db2.gz NVFFNPQZERCPCM-NSHDSACASA-N -1 3 382.309 3.558 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1ccc(O)cc1)C(F)(F)F ZINC001191846485 918262625 /nfs/dbraw/zinc/26/26/25/918262625.db2.gz PEPQZGPTQLBFSQ-MRXNPFEDSA-N -1 3 389.395 3.681 20 0 GHADHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001191848482 918263271 /nfs/dbraw/zinc/26/32/71/918263271.db2.gz ONPUWXFWCABVOB-LLVKDONJSA-N -1 3 398.750 3.832 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC001192082797 918379310 /nfs/dbraw/zinc/37/93/10/918379310.db2.gz AXEPZIQPLNNGSJ-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM O=S(=O)([N-]c1cnccc1F)c1cc(C(F)(F)F)ccc1Br ZINC001192180878 918529600 /nfs/dbraw/zinc/52/96/00/918529600.db2.gz BUXVTPNWUOILQL-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CC(C)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001192249026 918536560 /nfs/dbraw/zinc/53/65/60/918536560.db2.gz VETYLNBNUUZDRP-INIZCTEOSA-N -1 3 375.469 3.858 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(C2CC2)c1 ZINC000297256668 919186763 /nfs/dbraw/zinc/18/67/63/919186763.db2.gz SLQZLVRTIVMBMA-KGLIPLIRSA-N -1 3 397.441 3.725 20 0 GHADHM O=C(N[N-]C(=O)c1cc(Br)ccc1Cl)c1cc2c(s1)CCC2 ZINC000015938831 919387207 /nfs/dbraw/zinc/38/72/07/919387207.db2.gz NWEZNDRDGWHUNU-UHFFFAOYSA-N -1 3 399.697 3.728 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)nc3c2CCCC3)cc1OC ZINC000900027093 919759739 /nfs/dbraw/zinc/75/97/39/919759739.db2.gz UVINDFUZXODVCQ-LJQANCHMSA-N -1 3 384.476 3.592 20 0 GHADHM Cc1cc(-c2noc([C@H](C)OC(=O)c3cc(F)cc4[n-]nnc43)n2)ccc1F ZINC000800261929 919800801 /nfs/dbraw/zinc/80/08/01/919800801.db2.gz BZOYEGPWUUGGLK-VIFPVBQESA-N -1 3 385.330 3.513 20 0 GHADHM Cc1cc(-c2noc([C@H](C)OC(=O)c3cc(F)cc4nn[n-]c43)n2)ccc1F ZINC000800261929 919800817 /nfs/dbraw/zinc/80/08/17/919800817.db2.gz BZOYEGPWUUGGLK-VIFPVBQESA-N -1 3 385.330 3.513 20 0 GHADHM Cc1cc(-c2noc([C@H](C)OC(=O)c3cc(F)cc4n[n-]nc43)n2)ccc1F ZINC000800261929 919800830 /nfs/dbraw/zinc/80/08/30/919800830.db2.gz BZOYEGPWUUGGLK-VIFPVBQESA-N -1 3 385.330 3.513 20 0 GHADHM O=C([O-])[C@H](CNCc1cnn(Cc2ccccc2)c1Cl)CC1CCCC1 ZINC000900083496 919821267 /nfs/dbraw/zinc/82/12/67/919821267.db2.gz HOVIJRIXZUJNNS-KRWDZBQOSA-N -1 3 375.900 3.956 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Br)c3cccnc23)c2ccccc21 ZINC000800795982 920471999 /nfs/dbraw/zinc/47/19/99/920471999.db2.gz GRYUOZCGKPBDJE-GXDHUFHOSA-N -1 3 394.228 3.720 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)C2CCCCC2)ccc1F ZINC000801094340 920775254 /nfs/dbraw/zinc/77/52/54/920775254.db2.gz RMMBUYPLABGNON-CQSZACIVSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)Oc1ccc(Br)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901145577 920867577 /nfs/dbraw/zinc/86/75/77/920867577.db2.gz CFUVBDLXXVTVKO-UHFFFAOYSA-N -1 3 392.253 3.862 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OC[C@H](OC)c2ccc(Cl)cc2)cc1[O-] ZINC000801274557 920895131 /nfs/dbraw/zinc/89/51/31/920895131.db2.gz LKTSWSIKTXYBOI-INIZCTEOSA-N -1 3 379.796 3.768 20 0 GHADHM C[C@H](Oc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000902090506 921870268 /nfs/dbraw/zinc/87/02/68/921870268.db2.gz ICKMWRSCCGPWNB-ZDUSSCGKSA-N -1 3 383.366 3.769 20 0 GHADHM COc1ccc([C@H](C)NCc2ccc(OCC(=O)[O-])cc2)cc1Br ZINC000902140502 921910227 /nfs/dbraw/zinc/91/02/27/921910227.db2.gz GKDPQGFKKRPWHK-LBPRGKRZSA-N -1 3 394.265 3.772 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc([C@H]4CCOC4)c3)cc2)n1 ZINC000367089509 921915569 /nfs/dbraw/zinc/91/55/69/921915569.db2.gz LNVFWPQIZRWGOY-SFHVURJKSA-N -1 3 375.428 3.502 20 0 GHADHM COc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(OC)c1OC ZINC000367353622 922058570 /nfs/dbraw/zinc/05/85/70/922058570.db2.gz LHRWJEXBGWTYPW-UHFFFAOYSA-N -1 3 385.460 3.513 20 0 GHADHM COc1ccccc1NC(=O)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000367997072 922414032 /nfs/dbraw/zinc/41/40/32/922414032.db2.gz PFPWVTNKUILQEY-UHFFFAOYSA-N -1 3 388.851 3.545 20 0 GHADHM CC[C@@H](C[C@@H](C)CO)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902886261 922580050 /nfs/dbraw/zinc/58/00/50/922580050.db2.gz RPAIVKGKCUFXPE-SCZZXKLOSA-N -1 3 388.764 3.759 20 0 GHADHM Cc1ccccc1-c1nnc(SCc2noc(-c3ccccc3[O-])n2)n1C ZINC000368798525 922881523 /nfs/dbraw/zinc/88/15/23/922881523.db2.gz SQHWMJIVGUUKPV-UHFFFAOYSA-N -1 3 379.445 3.838 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCCCCF)c2)cc1 ZINC000803482541 923032885 /nfs/dbraw/zinc/03/28/85/923032885.db2.gz BEINJNNCJDQXCC-UHFFFAOYSA-N -1 3 395.452 3.711 20 0 GHADHM CCSc1ccccc1CN1CCC(n2nnc(C(=O)[O-])c2C(F)F)CC1 ZINC000903606439 923122491 /nfs/dbraw/zinc/12/24/91/923122491.db2.gz BBVSRUXSBMTNDD-UHFFFAOYSA-N -1 3 396.463 3.863 20 0 GHADHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000803653917 923126280 /nfs/dbraw/zinc/12/62/80/923126280.db2.gz VIGWYNOMXHVAJN-CXAGYDPISA-N -1 3 383.469 3.757 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000903919763 923399643 /nfs/dbraw/zinc/39/96/43/923399643.db2.gz DYPOYNVWXOHBFE-UHFFFAOYSA-N -1 3 394.393 3.890 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H](C3CCOCC3)C2)c(Br)c1 ZINC000903936532 923411737 /nfs/dbraw/zinc/41/17/37/923411737.db2.gz ULLNCKSEVYUHMV-HNNXBMFYSA-N -1 3 382.298 3.786 20 0 GHADHM O=C([O-])[C@@H]1CCN(CCOc2ccc(Cl)cc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000903943227 923420166 /nfs/dbraw/zinc/42/01/66/923420166.db2.gz GXDMWCTUZWKDOZ-PVUWLOKVSA-N -1 3 388.291 3.716 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000748766647 923820262 /nfs/dbraw/zinc/82/02/62/923820262.db2.gz IISRFIZZOKFFKW-OAHLLOKOSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)n2)ccc1F ZINC000370496396 924128718 /nfs/dbraw/zinc/12/87/18/924128718.db2.gz OKZJQONMRSHLPS-LBPRGKRZSA-N -1 3 392.390 3.517 20 0 GHADHM CSc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)c1 ZINC000677211788 924285872 /nfs/dbraw/zinc/28/58/72/924285872.db2.gz KQRCCWCCHNCURJ-LLVKDONJSA-N -1 3 376.865 3.759 20 0 GHADHM CCCn1cc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)nn1 ZINC000677993672 924572870 /nfs/dbraw/zinc/57/28/70/924572870.db2.gz LYYDKECHQXPFMW-UHFFFAOYSA-N -1 3 394.913 3.738 20 0 GHADHM CCCN(C(=O)Cc1ccc([O-])c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827077370 924715148 /nfs/dbraw/zinc/71/51/48/924715148.db2.gz UFKZRHSTIYECBI-UHFFFAOYSA-N -1 3 394.487 3.712 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000678616655 924841992 /nfs/dbraw/zinc/84/19/92/924841992.db2.gz AXPGUIYYZSPXLX-SJORKVTESA-N -1 3 396.491 3.828 20 0 GHADHM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000371832615 924892106 /nfs/dbraw/zinc/89/21/06/924892106.db2.gz OQTYQRDBNPNWFR-RTWAWAEBSA-N -1 3 397.471 3.577 20 0 GHADHM Cn1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c(-c2cccs2)n1 ZINC000678813254 924935048 /nfs/dbraw/zinc/93/50/48/924935048.db2.gz NGDRJEZVZNAIIF-UHFFFAOYSA-N -1 3 381.501 3.949 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680107792 925365975 /nfs/dbraw/zinc/36/59/75/925365975.db2.gz MSFUVIYYSCXHIT-CYBMUJFWSA-N -1 3 394.226 3.825 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3cccc(OC(C)C)c3)nc2)n1 ZINC000372654241 925613006 /nfs/dbraw/zinc/61/30/06/925613006.db2.gz HRAYUJLEXZKLSQ-IBGZPJMESA-N -1 3 394.475 3.739 20 0 GHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000682725108 926220820 /nfs/dbraw/zinc/22/08/20/926220820.db2.gz JCPPHRBGRCNZED-UHFFFAOYSA-N -1 3 398.440 3.716 20 0 GHADHM C[C@@H]1CN(c2ccccc2F)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000682779593 926244511 /nfs/dbraw/zinc/24/45/11/926244511.db2.gz MFCCMRZLSLEUGG-CQSZACIVSA-N -1 3 392.434 3.931 20 0 GHADHM CC[C@H](C)N1C[C@@]2(F)CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@@]2(F)C1=O ZINC001276165034 926406759 /nfs/dbraw/zinc/40/67/59/926406759.db2.gz MOYLPBSXMPUPRA-PZDALLCQSA-N -1 3 393.261 3.572 20 0 GHADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1Cl ZINC000725817073 926456485 /nfs/dbraw/zinc/45/64/85/926456485.db2.gz IEIHEBBCBAIOFE-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM CN(Cc1noc(C2CC2)n1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000412072968 927064927 /nfs/dbraw/zinc/06/49/27/927064927.db2.gz LHSVITFVKMARRU-UHFFFAOYSA-N -1 3 383.433 3.549 20 0 GHADHM CC[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276198692 927154769 /nfs/dbraw/zinc/15/47/69/927154769.db2.gz PAAKPIZOHILLLK-CXAGYDPISA-N -1 3 378.900 3.555 20 0 GHADHM Cc1nc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)nn1-c1ccccc1C(C)C ZINC000749733448 927254628 /nfs/dbraw/zinc/25/46/28/927254628.db2.gz RKTNOERAJXJROX-UHFFFAOYSA-N -1 3 393.476 3.798 20 0 GHADHM CCc1cc2c(CSc3ccc(S(C)(=O)=O)cc3)cc(=O)oc2cc1[O-] ZINC000749752870 927260819 /nfs/dbraw/zinc/26/08/19/927260819.db2.gz XFWMIKRSRWPRSN-UHFFFAOYSA-N -1 3 390.482 3.757 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000749795521 927273577 /nfs/dbraw/zinc/27/35/77/927273577.db2.gz MEKAVCFRTDXABL-CVEARBPZSA-N -1 3 394.446 3.835 20 0 GHADHM C[C@@H](CNC(=O)[C@@H](C)O[N-]C(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000749796228 927274954 /nfs/dbraw/zinc/27/49/54/927274954.db2.gz OGSFIZSOFWRKEW-ZWKOTPCHSA-N -1 3 390.483 3.739 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)cc1 ZINC000749913478 927345485 /nfs/dbraw/zinc/34/54/85/927345485.db2.gz RVYYAQZNVLPQOC-UHFFFAOYSA-N -1 3 397.928 3.572 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374921779 927702889 /nfs/dbraw/zinc/70/28/89/927702889.db2.gz VPIUKXPQUGVKNP-QGZVFWFLSA-N -1 3 397.471 3.842 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccco1 ZINC000375192702 928025491 /nfs/dbraw/zinc/02/54/91/928025491.db2.gz PIQYMJOYJRIWBT-INIZCTEOSA-N -1 3 389.395 3.745 20 0 GHADHM Cc1ccc(N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C(C)C)cc1 ZINC000751132293 928043210 /nfs/dbraw/zinc/04/32/10/928043210.db2.gz PRKJZDFDNSAKKL-UHFFFAOYSA-N -1 3 392.496 3.876 20 0 GHADHM COc1ccc(Nc2nnc(SCc3cc(=O)[n-]c(C4CC4)n3)s2)cc1 ZINC000412982166 928068212 /nfs/dbraw/zinc/06/82/12/928068212.db2.gz XSTNOAWCNPYYMA-UHFFFAOYSA-N -1 3 387.490 3.956 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000751394871 928169979 /nfs/dbraw/zinc/16/99/79/928169979.db2.gz YQZWHOCFDAMTHL-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)c1c(F)cccc1F ZINC000751465132 928204782 /nfs/dbraw/zinc/20/47/82/928204782.db2.gz FQBVKYCNCIBJMW-CJNGLKHVSA-N -1 3 393.814 3.548 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2cccc(F)c2)c1Cl ZINC000751486448 928216613 /nfs/dbraw/zinc/21/66/13/928216613.db2.gz KOGZTQNXDFPHNP-ZUZCIYMTSA-N -1 3 392.279 3.841 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000466894733 928483402 /nfs/dbraw/zinc/48/34/02/928483402.db2.gz BRNFCALFUJMBFT-CYBMUJFWSA-N -1 3 378.252 3.799 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000751985255 928530801 /nfs/dbraw/zinc/53/08/01/928530801.db2.gz FYMQGXZVPFQKSJ-UHFFFAOYSA-N -1 3 382.707 3.580 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Br)c2)c1 ZINC000466960979 928545521 /nfs/dbraw/zinc/54/55/21/928545521.db2.gz ZSPNKKSBAJDCEM-UHFFFAOYSA-N -1 3 397.338 3.928 20 0 GHADHM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000467086342 928680975 /nfs/dbraw/zinc/68/09/75/928680975.db2.gz SZDAHTKQODWQRJ-QGZVFWFLSA-N -1 3 385.489 3.551 20 0 GHADHM COCC[C@H](Cc1ccco1)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000544048790 928733700 /nfs/dbraw/zinc/73/37/00/928733700.db2.gz UNRGVOAYKFNVQM-QGZVFWFLSA-N -1 3 396.447 3.520 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CCC(C)C)ccc1F ZINC000752408643 928815497 /nfs/dbraw/zinc/81/54/97/928815497.db2.gz MTBXAPGHBUUFIJ-UHFFFAOYSA-N -1 3 378.469 3.575 20 0 GHADHM CO[C@H]1Cc2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc2C1 ZINC000752945598 929106490 /nfs/dbraw/zinc/10/64/90/929106490.db2.gz WDFUPURBARTBFO-HNNXBMFYSA-N -1 3 391.265 3.590 20 0 GHADHM CO[C@@H]1Cc2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc2C1 ZINC000752945602 929106512 /nfs/dbraw/zinc/10/65/12/929106512.db2.gz WDFUPURBARTBFO-OAHLLOKOSA-N -1 3 391.265 3.590 20 0 GHADHM Cc1nc2c(cnn2C(C)C)cc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467724356 929343946 /nfs/dbraw/zinc/34/39/46/929343946.db2.gz SHGWTWDVJJPUQX-UHFFFAOYSA-N -1 3 396.401 3.663 20 0 GHADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1cccc(OC(F)(F)F)c1 ZINC000753563716 929420109 /nfs/dbraw/zinc/42/01/09/929420109.db2.gz MYAMXJANDLGASS-HPUUJOOBSA-N -1 3 376.334 3.547 20 0 GHADHM CCO[C@H](CC[N-]S(=O)(=O)c1sc(C)cc1Br)C(C)C ZINC000467789945 929421149 /nfs/dbraw/zinc/42/11/49/929421149.db2.gz SHEJVSKIADBCPY-GFCCVEGCSA-N -1 3 384.361 3.549 20 0 GHADHM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1OC(F)F ZINC000545916625 929672269 /nfs/dbraw/zinc/67/22/69/929672269.db2.gz GEMUKHUTQBLIKD-UHFFFAOYSA-N -1 3 395.786 3.568 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000469219873 929705179 /nfs/dbraw/zinc/70/51/79/929705179.db2.gz VNQUACLPRSSGCT-AWEZNQCLSA-N -1 3 378.394 3.527 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000469269823 929751040 /nfs/dbraw/zinc/75/10/40/929751040.db2.gz RVPCKHJFIORATK-GOSISDBHSA-N -1 3 398.478 3.523 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1 ZINC000546323483 930054353 /nfs/dbraw/zinc/05/43/53/930054353.db2.gz WLQWIBMLYTXWJL-UHFFFAOYSA-N -1 3 399.350 3.674 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000759398783 930358132 /nfs/dbraw/zinc/35/81/32/930358132.db2.gz FDDJTHMGAZFTRO-GFCCVEGCSA-N -1 3 381.407 3.754 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cc3c(cccc3Cl)[nH]2)cc1 ZINC000759418055 930362838 /nfs/dbraw/zinc/36/28/38/930362838.db2.gz LLIDPWIICLFKBL-UHFFFAOYSA-N -1 3 378.837 3.550 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(OC(C)C)c3)c2)n1 ZINC000470165285 930422177 /nfs/dbraw/zinc/42/21/77/930422177.db2.gz HRFLKLNJOQCNLP-UHFFFAOYSA-N -1 3 378.432 3.846 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000759772437 930483675 /nfs/dbraw/zinc/48/36/75/930483675.db2.gz JESRHAVGHMNDPC-HNNXBMFYSA-N -1 3 377.920 3.896 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780361430 930499272 /nfs/dbraw/zinc/49/92/72/930499272.db2.gz JJZGKKHQXRJWAH-IIBYNOLFSA-N -1 3 392.455 3.594 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)cc1F ZINC000546881691 930506460 /nfs/dbraw/zinc/50/64/60/930506460.db2.gz FATKUNOTVXFTEE-MRXNPFEDSA-N -1 3 389.370 3.517 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)c(Br)c2)[n-]c1=O ZINC000470300096 930517660 /nfs/dbraw/zinc/51/76/60/930517660.db2.gz YCCFGCPVXSFDSO-TWGQIWQCSA-N -1 3 381.201 3.821 20 0 GHADHM CSCC[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780532240 930543104 /nfs/dbraw/zinc/54/31/04/930543104.db2.gz SQLDXKIEDPHCFU-BEFAXECRSA-N -1 3 386.517 3.511 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cnc2nccnc2c1 ZINC000470637142 930773540 /nfs/dbraw/zinc/77/35/40/930773540.db2.gz YKRAUJJARLKYRP-UHFFFAOYSA-N -1 3 386.799 3.588 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000781761063 930965820 /nfs/dbraw/zinc/96/58/20/930965820.db2.gz DOURZPRAGOFBQK-ZDUSSCGKSA-N -1 3 394.299 3.850 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782022200 931063683 /nfs/dbraw/zinc/06/36/83/931063683.db2.gz HIRYQUDOIHCZBK-UHFFFAOYSA-N -1 3 388.807 3.996 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)OC(=O)c2cccc3[n-]c(C(F)F)nc32)sc1C ZINC000924085099 931189816 /nfs/dbraw/zinc/18/98/16/931189816.db2.gz ZSOSAGVIGIEIQC-QMMMGPOBSA-N -1 3 394.403 3.758 20 0 GHADHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000557178981 931248733 /nfs/dbraw/zinc/24/87/33/931248733.db2.gz PSHOPYBUELNVSS-FOIQADDNSA-N -1 3 377.440 3.696 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783644564 931606133 /nfs/dbraw/zinc/60/61/33/931606133.db2.gz DLSRMCOHDMTHIU-UHFFFAOYSA-N -1 3 382.416 3.763 20 0 GHADHM COc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1F ZINC000783677994 931615206 /nfs/dbraw/zinc/61/52/06/931615206.db2.gz AARJQDFRYOIEGK-ZROIWOOFSA-N -1 3 395.415 3.681 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000783942525 931725665 /nfs/dbraw/zinc/72/56/65/931725665.db2.gz GCCZHTBTRGOJDA-JTSKRJEESA-N -1 3 376.412 3.780 20 0 GHADHM O=C(CSc1nccc2ccccc21)OCc1noc(-c2ccccc2[O-])n1 ZINC000784189553 931810439 /nfs/dbraw/zinc/81/04/39/931810439.db2.gz RTXNFQVDEPWDSF-UHFFFAOYSA-N -1 3 393.424 3.826 20 0 GHADHM Cc1cccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1Br ZINC000784378760 931875169 /nfs/dbraw/zinc/87/51/69/931875169.db2.gz AXSPUGQPXGOVET-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM C[C@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)c1ccco1 ZINC000796799843 932072186 /nfs/dbraw/zinc/07/21/86/932072186.db2.gz CSVHARIGZNZVEU-VIFPVBQESA-N -1 3 377.340 3.588 20 0 GHADHM CS[C@@H](C)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000797214895 932223879 /nfs/dbraw/zinc/22/38/79/932223879.db2.gz UYGQIGOURMTRMF-OLZOCXBDSA-N -1 3 397.493 3.923 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC2(c3cccc(F)c3Cl)CC2)cc1 ZINC000797345531 932258359 /nfs/dbraw/zinc/25/83/59/932258359.db2.gz QLBPRIKMAGNYJV-UHFFFAOYSA-N -1 3 383.828 3.697 20 0 GHADHM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc(CN3CCCC3)cc2)s1 ZINC000558874271 932285453 /nfs/dbraw/zinc/28/54/53/932285453.db2.gz KPSJBYWEDANZOZ-UHFFFAOYSA-N -1 3 396.491 3.923 20 0 GHADHM Nc1cc(CCCNC(=O)c2cc3sccc3c([O-])c2)nn1-c1ccccc1 ZINC000798292332 932596749 /nfs/dbraw/zinc/59/67/49/932596749.db2.gz DCGZEVXVIRYEIG-UHFFFAOYSA-N -1 3 392.484 3.737 20 0 GHADHM CC(C)(C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000799021275 932853224 /nfs/dbraw/zinc/85/32/24/932853224.db2.gz TXRRUHHOBYYCRL-UHFFFAOYSA-N -1 3 390.833 3.535 20 0 GHADHM COc1ccccc1CONC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000799094442 932876507 /nfs/dbraw/zinc/87/65/07/932876507.db2.gz LWSVTTSBOVAEBD-UHFFFAOYSA-N -1 3 379.412 3.841 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C)cc2F)c(F)cc1C ZINC000559978470 932991985 /nfs/dbraw/zinc/99/19/85/932991985.db2.gz RYIROQYLGDWRHW-UHFFFAOYSA-N -1 3 383.416 3.700 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1c(C)cccc1[O-] ZINC000626393934 933226229 /nfs/dbraw/zinc/22/62/29/933226229.db2.gz MIEJVLYWIYVODD-IBGZPJMESA-N -1 3 391.471 3.717 20 0 GHADHM CC/C(=C\C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccc(C)cc1 ZINC001116241505 933429449 /nfs/dbraw/zinc/42/94/49/933429449.db2.gz YXLIEEYAIJNNGN-NTCAYCPXSA-N -1 3 390.480 3.615 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001116241049 933429931 /nfs/dbraw/zinc/42/99/31/933429931.db2.gz NDHKMCBCEKBUQQ-AWEZNQCLSA-N -1 3 392.496 3.570 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccn1 ZINC001116265799 933445419 /nfs/dbraw/zinc/44/54/19/933445419.db2.gz QLMFQIRCVOWUEO-CQSZACIVSA-N -1 3 387.274 3.803 20 0 GHADHM CNC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(C)c1 ZINC001116446092 933563337 /nfs/dbraw/zinc/56/33/37/933563337.db2.gz IBPNWEKRJYQWGQ-UHFFFAOYSA-N -1 3 390.439 3.892 20 0 GHADHM Cc1ccc(-c2nnco2)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000561058137 933828281 /nfs/dbraw/zinc/82/82/81/933828281.db2.gz UWKOOISVUHCDIP-UHFFFAOYSA-N -1 3 378.363 3.586 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC001117192482 933878354 /nfs/dbraw/zinc/87/83/54/933878354.db2.gz BXDJPZWWQOPXAQ-HDPALTEOSA-N -1 3 393.534 3.638 20 0 GHADHM O=C([O-])C[C@@H](CCNCc1cc(Br)cnc1Cl)C(F)(F)F ZINC001118261093 934121642 /nfs/dbraw/zinc/12/16/42/934121642.db2.gz SGYFLNFJFIXSKD-MRVPVSSYSA-N -1 3 389.599 3.630 20 0 GHADHM O=S(=O)([N-]CCCC(F)(F)F)c1cc(Br)cc2cccnc21 ZINC000561518081 934235368 /nfs/dbraw/zinc/23/53/68/934235368.db2.gz ONKPEJXPZIMNFH-UHFFFAOYSA-N -1 3 397.216 3.618 20 0 GHADHM COc1c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cnn1-c1ccccc1 ZINC001118785737 934241607 /nfs/dbraw/zinc/24/16/07/934241607.db2.gz PMUNWJVIZKWIKQ-KTKRTIGZSA-N -1 3 393.428 3.748 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1nccnc1SC ZINC001119496219 934360574 /nfs/dbraw/zinc/36/05/74/934360574.db2.gz IMHQDGCIKQNIJB-UHFFFAOYSA-N -1 3 397.909 3.759 20 0 GHADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120722480 934500514 /nfs/dbraw/zinc/50/05/14/934500514.db2.gz UJUOZGATVGKHNS-JOYOIKCWSA-N -1 3 398.834 3.515 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000562412155 934855407 /nfs/dbraw/zinc/85/54/07/934855407.db2.gz VSEIZDZWGUMALE-UHFFFAOYSA-N -1 3 398.912 3.528 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1-c1ccsc1 ZINC000932249133 934859798 /nfs/dbraw/zinc/85/97/98/934859798.db2.gz BQYFGUDLRHQNHG-MRXNPFEDSA-N -1 3 395.488 3.620 20 0 GHADHM [O-]c1cccnc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000562440349 934864356 /nfs/dbraw/zinc/86/43/56/934864356.db2.gz KYPMMIQTNMHEIY-UHFFFAOYSA-N -1 3 375.457 3.781 20 0 GHADHM Cc1nc(-c2nnc(N(C)Cc3cc4ccccc4[nH]3)n2CC(C)C)cc(=O)[n-]1 ZINC001122742803 934969150 /nfs/dbraw/zinc/96/91/50/934969150.db2.gz LVVFYXBYKNMKGB-UHFFFAOYSA-N -1 3 391.479 3.523 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001123669510 935248609 /nfs/dbraw/zinc/24/86/09/935248609.db2.gz PVIZGKFGRALWIN-YPMHNXCESA-N -1 3 382.798 3.895 20 0 GHADHM Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC001124403887 935384835 /nfs/dbraw/zinc/38/48/35/935384835.db2.gz QZKNODFNLJMAOL-UHFFFAOYSA-N -1 3 392.383 3.584 20 0 GHADHM Cc1cnc2nc(C(=O)[N-]c3ccccc3SCc3ccccc3)nn2c1 ZINC001124448795 935391438 /nfs/dbraw/zinc/39/14/38/935391438.db2.gz ROHVVURDWOGSMN-UHFFFAOYSA-N -1 3 375.457 3.977 20 0 GHADHM CCCc1ccc(CCCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001137598504 935613731 /nfs/dbraw/zinc/61/37/31/935613731.db2.gz MOBBSAQALSVLBL-INIZCTEOSA-N -1 3 378.513 3.923 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(C(=O)[N-]c2ncc(Cl)s2)on1 ZINC000828773361 935705247 /nfs/dbraw/zinc/70/52/47/935705247.db2.gz DMHQISJZTBCLRN-UHFFFAOYSA-N -1 3 386.861 3.797 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c1 ZINC000829120192 935770212 /nfs/dbraw/zinc/77/02/12/935770212.db2.gz QQTDFIVMLVWAJZ-HIFRSBDPSA-N -1 3 397.475 3.839 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001138047216 935951596 /nfs/dbraw/zinc/95/15/96/935951596.db2.gz JWYAYWINYKMMPB-DYVFJYSZSA-N -1 3 378.394 3.661 20 0 GHADHM Brc1cc(N2CCC(OC3CCCC3)CC2)ccc1-c1nnn[n-]1 ZINC001573279240 946635118 /nfs/dbraw/zinc/63/51/18/946635118.db2.gz FGZITHPFIWOQNU-UHFFFAOYSA-N -1 3 392.301 3.557 20 0 GHADHM Brc1cc(N2CCC(OC3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC001573279240 946635121 /nfs/dbraw/zinc/63/51/21/946635121.db2.gz FGZITHPFIWOQNU-UHFFFAOYSA-N -1 3 392.301 3.557 20 0 GHADHM CC(C)C1(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC001574088904 948939241 /nfs/dbraw/zinc/93/92/41/948939241.db2.gz HEKRBLINTJVQOR-UHFFFAOYSA-N -1 3 379.489 3.936 20 0 GHADHM CC(C)C1(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC001574088904 948939251 /nfs/dbraw/zinc/93/92/51/948939251.db2.gz HEKRBLINTJVQOR-UHFFFAOYSA-N -1 3 379.489 3.936 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001574093960 949123261 /nfs/dbraw/zinc/12/32/61/949123261.db2.gz ZUNXGTCIFBIESE-OXQOHEQNSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788641 949205214 /nfs/dbraw/zinc/20/52/14/949205214.db2.gz QICVZPPMJLQWFL-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788641 949205217 /nfs/dbraw/zinc/20/52/17/949205217.db2.gz QICVZPPMJLQWFL-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@H]1C ZINC001576151356 949221583 /nfs/dbraw/zinc/22/15/83/949221583.db2.gz GWUPEPVWIIKYAO-ZRGWGRIASA-N -1 3 382.512 3.580 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@H]1C ZINC001576151356 949221607 /nfs/dbraw/zinc/22/16/07/949221607.db2.gz GWUPEPVWIIKYAO-ZRGWGRIASA-N -1 3 382.512 3.580 20 0 GHADHM C[C@@H](c1ccccc1)n1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC001575517835 949237030 /nfs/dbraw/zinc/23/70/30/949237030.db2.gz YVSBQLNPXSQZGL-LBPRGKRZSA-N -1 3 393.838 3.578 20 0 GHADHM C[C@@H](c1ccccc1)n1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC001575517835 949237058 /nfs/dbraw/zinc/23/70/58/949237058.db2.gz YVSBQLNPXSQZGL-LBPRGKRZSA-N -1 3 393.838 3.578 20 0 GHADHM CC(C)(C)CCCOc1cc(-c2nnn[n-]2)ccc1I ZINC001573844337 950191573 /nfs/dbraw/zinc/19/15/73/950191573.db2.gz GMMQZJBZGVDMRT-UHFFFAOYSA-N -1 3 386.237 3.676 20 0 GHADHM CC(C)(C)CCCOc1cc(-c2nn[n-]n2)ccc1I ZINC001573844337 950191586 /nfs/dbraw/zinc/19/15/86/950191586.db2.gz GMMQZJBZGVDMRT-UHFFFAOYSA-N -1 3 386.237 3.676 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(Nc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001573860028 950412910 /nfs/dbraw/zinc/41/29/10/950412910.db2.gz AQOIQCUZXGKXAW-UHFFFAOYSA-N -1 3 384.415 3.774 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(Nc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001573860028 950412935 /nfs/dbraw/zinc/41/29/35/950412935.db2.gz AQOIQCUZXGKXAW-UHFFFAOYSA-N -1 3 384.415 3.774 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001575622580 950638777 /nfs/dbraw/zinc/63/87/77/950638777.db2.gz DAEJJKQQLOEIIY-QGZVFWFLSA-N -1 3 395.894 3.857 20 0 GHADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001575622580 950638790 /nfs/dbraw/zinc/63/87/90/950638790.db2.gz DAEJJKQQLOEIIY-QGZVFWFLSA-N -1 3 395.894 3.857 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCCc2ccccc2F)cc1-c1nnn[n-]1 ZINC001573876318 950670812 /nfs/dbraw/zinc/67/08/12/950670812.db2.gz KVXIXVAXUVTAMK-UHFFFAOYSA-N -1 3 398.442 3.547 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCCc2ccccc2F)cc1-c1nn[n-]n1 ZINC001573876318 950670823 /nfs/dbraw/zinc/67/08/23/950670823.db2.gz KVXIXVAXUVTAMK-UHFFFAOYSA-N -1 3 398.442 3.547 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574519736 950694549 /nfs/dbraw/zinc/69/45/49/950694549.db2.gz HVDVZMHWSQXFNR-CQSZACIVSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574519736 950694570 /nfs/dbraw/zinc/69/45/70/950694570.db2.gz HVDVZMHWSQXFNR-CQSZACIVSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574520806 950754024 /nfs/dbraw/zinc/75/40/24/950754024.db2.gz ZWPDJNZVSBIFRR-GWCFXTLKSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574520806 950754047 /nfs/dbraw/zinc/75/40/47/950754047.db2.gz ZWPDJNZVSBIFRR-GWCFXTLKSA-N -1 3 384.406 3.594 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC001573882116 950768966 /nfs/dbraw/zinc/76/89/66/950768966.db2.gz SOKXNEWKYOFNIW-UHFFFAOYSA-N -1 3 380.496 3.902 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC001573882116 950768979 /nfs/dbraw/zinc/76/89/79/950768979.db2.gz SOKXNEWKYOFNIW-UHFFFAOYSA-N -1 3 380.496 3.902 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574183959 950768945 /nfs/dbraw/zinc/76/89/45/950768945.db2.gz CIZSIVVLZLUVDU-HKUYNNGSSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574183959 950768961 /nfs/dbraw/zinc/76/89/61/950768961.db2.gz CIZSIVVLZLUVDU-HKUYNNGSSA-N -1 3 382.512 3.854 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001575185361 952433243 /nfs/dbraw/zinc/43/32/43/952433243.db2.gz PYSCWNFOTZGUJQ-HNNXBMFYSA-N -1 3 395.532 3.788 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001575185361 952433246 /nfs/dbraw/zinc/43/32/46/952433246.db2.gz PYSCWNFOTZGUJQ-HNNXBMFYSA-N -1 3 395.532 3.788 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)cc1 ZINC001575191086 952466107 /nfs/dbraw/zinc/46/61/07/952466107.db2.gz WBACEVGETUJNTM-CQSZACIVSA-N -1 3 388.475 3.832 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001575191550 952467290 /nfs/dbraw/zinc/46/72/90/952467290.db2.gz XSVAZMVCPWTBRJ-MGPUTAFESA-N -1 3 375.476 3.703 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001575191550 952467294 /nfs/dbraw/zinc/46/72/94/952467294.db2.gz XSVAZMVCPWTBRJ-MGPUTAFESA-N -1 3 375.476 3.703 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@@H](Nc4ccccc4)C3)o2)C1 ZINC001594914496 954730066 /nfs/dbraw/zinc/73/00/66/954730066.db2.gz GZRJJZJPAUEHMK-IEBWSBKVSA-N -1 3 383.492 3.657 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000388280740 972163642 /nfs/dbraw/zinc/16/36/42/972163642.db2.gz QNDINEUHHFHCLP-CYBMUJFWSA-N -1 3 375.856 3.680 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccsc1CNC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588727246 961077394 /nfs/dbraw/zinc/07/73/94/961077394.db2.gz KZDKGFCYZVNVMP-MLZJXEJWSA-N -1 3 396.509 3.597 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)c2cccc3ccsc32)CCCN(Cc2ccccc2)C1 ZINC001347534887 962391708 /nfs/dbraw/zinc/39/17/08/962391708.db2.gz LAYBAZNNMRPYPT-JOCHJYFZSA-N -1 3 394.496 3.751 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)/C=C/c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001526687525 962875655 /nfs/dbraw/zinc/87/56/55/962875655.db2.gz GEPJIEWTDFHVMI-RUCTVCJSSA-N -1 3 398.890 3.589 20 0 GHADHM C[C@H]1CCCN(Cc2cc(OC(F)F)ccc2Br)[C@@H]1C(=O)[O-] ZINC001603414948 973103453 /nfs/dbraw/zinc/10/34/53/973103453.db2.gz PMNXNXRJVKPLJH-ZANVPECISA-N -1 3 378.213 3.736 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001625798139 1014179548 /nfs/dbraw/zinc/17/95/48/1014179548.db2.gz WAOAWNGOKFWYMP-UHFFFAOYSA-N -1 3 383.517 3.753 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCOc3c2cccc3C(C)(C)C)c([O-])c1 ZINC001154419323 1032092386 /nfs/dbraw/zinc/09/23/86/1032092386.db2.gz SQRGFFQRJHHRLI-UHFFFAOYSA-N -1 3 396.487 3.544 20 0 GHADHM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000842658101 979323340 /nfs/dbraw/zinc/32/33/40/979323340.db2.gz KZQNNZKMNORTCJ-SFTDATJTSA-N -1 3 398.547 3.925 20 0 GHADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001595368193 980823647 /nfs/dbraw/zinc/82/36/47/980823647.db2.gz AJQAFZDSEYVBTA-JOCHJYFZSA-N -1 3 390.524 3.857 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000903907111 981031766 /nfs/dbraw/zinc/03/17/66/981031766.db2.gz REJKJYHFARMXGT-RHSMWYFYSA-N -1 3 382.298 3.928 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001595846263 982771478 /nfs/dbraw/zinc/77/14/78/982771478.db2.gz OZUJPMGQTVSJFE-OALUTQOASA-N -1 3 388.508 3.773 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c([O-])c1 ZINC001626088926 1014872432 /nfs/dbraw/zinc/87/24/32/1014872432.db2.gz HAZVPHNCQKVZSV-KRWDZBQOSA-N -1 3 382.504 3.693 20 0 GHADHM CCCN(CCc1cccs1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595884487 982907355 /nfs/dbraw/zinc/90/73/55/982907355.db2.gz ZUPRFLACAYBIKT-HNNXBMFYSA-N -1 3 378.519 3.568 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001596250472 983655485 /nfs/dbraw/zinc/65/54/85/983655485.db2.gz ZXVFVLVEANCLHI-CQSZACIVSA-N -1 3 386.496 3.756 20 0 GHADHM CCO[C@H]1C[C@](NCc2nc(-c3c(F)cccc3F)cs2)(C(=O)[O-])C1(C)C ZINC001596838463 985506686 /nfs/dbraw/zinc/50/66/86/985506686.db2.gz SDSVUAOIERLGGN-LIRRHRJNSA-N -1 3 396.459 3.836 20 0 GHADHM C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@@H]2CCCC[C@@H]21 ZINC001594507197 985727032 /nfs/dbraw/zinc/72/70/32/985727032.db2.gz LRKASUJNKNCEIJ-UMVBOHGHSA-N -1 3 376.522 3.774 20 0 GHADHM C[C@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594537632 986160989 /nfs/dbraw/zinc/16/09/89/986160989.db2.gz WVPIRFWDWLMNGZ-DZGCQCFKSA-N -1 3 391.512 3.573 20 0 GHADHM CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001596975273 986215485 /nfs/dbraw/zinc/21/54/85/986215485.db2.gz PYKNIUWKZSSDKW-ZIAGYGMSSA-N -1 3 389.279 3.567 20 0 GHADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC001594623741 986678828 /nfs/dbraw/zinc/67/88/28/986678828.db2.gz IRILLFRRPOEZIY-KRWDZBQOSA-N -1 3 380.488 3.566 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589431702 986731775 /nfs/dbraw/zinc/73/17/75/986731775.db2.gz KWHNOQOLYPSIFY-STQMWFEESA-N -1 3 397.313 3.599 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001589513562 987159563 /nfs/dbraw/zinc/15/95/63/987159563.db2.gz WKZIIPCTWPFFMC-JXFKEZNVSA-N -1 3 381.476 3.833 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001597457805 987877750 /nfs/dbraw/zinc/87/77/50/987877750.db2.gz XRSFNXJTYFLBLG-UHFFFAOYSA-N -1 3 381.476 3.687 20 0 GHADHM CSc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC001599818169 988463871 /nfs/dbraw/zinc/46/38/71/988463871.db2.gz PFVCUCNUPNHXMH-KSSFIOAISA-N -1 3 399.516 3.891 20 0 GHADHM CC(C)(C)OC(=O)N(CCN1CCc2ccccc2[C@H]1C(=O)[O-])C(C)(C)C ZINC001589905126 988614400 /nfs/dbraw/zinc/61/44/00/988614400.db2.gz BSKQESIKSKSXBX-KRWDZBQOSA-N -1 3 376.497 3.706 20 0 GHADHM CC1(C)Cc2ccc(-c3nc(-c4ccccc4N4CCOCC4)no3)c([O-])c2O1 ZINC000545054671 1015433799 /nfs/dbraw/zinc/43/37/99/1015433799.db2.gz MFZNOCHSUCIBPD-UHFFFAOYSA-N -1 3 393.443 3.659 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1csc(C(=O)[O-])c1)C2 ZINC001590024799 989012958 /nfs/dbraw/zinc/01/29/58/989012958.db2.gz DDFBGUNNAJQWIM-IBGZPJMESA-N -1 3 380.510 3.812 20 0 GHADHM CC(C)(CCC(=O)[O-])NCc1cc(Cl)ccc1I ZINC001590665378 990367659 /nfs/dbraw/zinc/36/76/59/990367659.db2.gz LNGJZFRYBJYOAV-UHFFFAOYSA-N -1 3 381.641 3.678 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000545148419 1015585845 /nfs/dbraw/zinc/58/58/45/1015585845.db2.gz LFBVYAWAAQCUAI-UHFFFAOYSA-N -1 3 397.287 3.824 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598228285 990920034 /nfs/dbraw/zinc/92/00/34/990920034.db2.gz BENJHQQDRRKNBU-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001599715812 991452745 /nfs/dbraw/zinc/45/27/45/991452745.db2.gz XWGLNODTOUTCDH-IMTHGLKYSA-N -1 3 397.471 3.715 20 0 GHADHM CCN(Cc1ccc(OC)cc1OC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468422394 1015692213 /nfs/dbraw/zinc/69/22/13/1015692213.db2.gz YXLGEUOEODZBMB-UHFFFAOYSA-N -1 3 375.440 3.920 20 0 GHADHM CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-])C[C@@H]1CCCOC1 ZINC001598533147 992811819 /nfs/dbraw/zinc/81/18/19/992811819.db2.gz HAAFVDOUUAUSAG-LBPRGKRZSA-N -1 3 398.290 3.736 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000468547716 1015794502 /nfs/dbraw/zinc/79/45/02/1015794502.db2.gz KIRWQZCYUMSSIN-HXUWFJFHSA-N -1 3 385.414 3.632 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001593131794 993885599 /nfs/dbraw/zinc/88/55/99/993885599.db2.gz RXRPHSONXMTKMV-OCCSQVGLSA-N -1 3 382.888 3.773 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001593132095 993887606 /nfs/dbraw/zinc/88/76/06/993887606.db2.gz VEAGCZPHMLDBIW-UKRRQHHQSA-N -1 3 391.512 3.716 20 0 GHADHM Cc1nc(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CCCCCC2)no1 ZINC000468626237 1015857033 /nfs/dbraw/zinc/85/70/33/1015857033.db2.gz BEPNVNRIOKFOKW-UHFFFAOYSA-N -1 3 375.444 3.911 20 0 GHADHM COc1cccc([C@H](C)N2CCN(Cc3c4ccccc4[nH]c3C(=O)[O-])CC2)c1 ZINC001599655730 994576040 /nfs/dbraw/zinc/57/60/40/994576040.db2.gz YGFUGWBIBOAOIR-INIZCTEOSA-N -1 3 393.487 3.754 20 0 GHADHM COc1cccc([C@H](N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC001599659436 994633393 /nfs/dbraw/zinc/63/33/93/994633393.db2.gz YBFXIWTYGKWYOE-BTYIYWSLSA-N -1 3 382.460 3.689 20 0 GHADHM C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001593288244 994653754 /nfs/dbraw/zinc/65/37/54/994653754.db2.gz FXHSTHWIQJYNAT-CQSZACIVSA-N -1 3 395.434 3.966 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593295227 994689725 /nfs/dbraw/zinc/68/97/25/994689725.db2.gz CXCWVQFNDFPCGR-OAHLLOKOSA-N -1 3 385.460 3.956 20 0 GHADHM CCN(CCC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000545501837 1015954948 /nfs/dbraw/zinc/95/49/48/1015954948.db2.gz OHYATMWRGXRQAZ-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCCC3(C)C)cs2)c1 ZINC000545506031 1015961325 /nfs/dbraw/zinc/96/13/25/1015961325.db2.gz FDHCZCVTAXYXCG-MRXNPFEDSA-N -1 3 387.505 3.647 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593698416 996164001 /nfs/dbraw/zinc/16/40/01/996164001.db2.gz JOQODAHDTVPCLY-CJNGLKHVSA-N -1 3 394.899 3.655 20 0 GHADHM CC1(C(=O)Oc2ccc(CC(=O)[O-])cc2F)CCN(Cc2ccccc2)CC1 ZINC001593815883 996552050 /nfs/dbraw/zinc/55/20/50/996552050.db2.gz GCVSWNUJRYIEPH-UHFFFAOYSA-N -1 3 385.435 3.661 20 0 GHADHM COc1ccc([C@@H](N[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C2CC2)cc1 ZINC001599527579 997588156 /nfs/dbraw/zinc/58/81/56/997588156.db2.gz JBIPQCKWYHAWCQ-PXAZEXFGSA-N -1 3 388.489 3.831 20 0 GHADHM COC(=O)COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000468908107 1016199900 /nfs/dbraw/zinc/19/99/00/1016199900.db2.gz ILJASLYUBKJCBC-UHFFFAOYSA-N -1 3 395.814 3.698 20 0 GHADHM COC(=O)c1ccc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1 ZINC001598976143 998602500 /nfs/dbraw/zinc/60/25/00/998602500.db2.gz XWNHUBJIVVJRLO-UHFFFAOYSA-N -1 3 382.441 3.585 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001594297109 999145874 /nfs/dbraw/zinc/14/58/74/999145874.db2.gz RRYRUXIIFZUMLD-ASGLRFHOSA-N -1 3 389.492 3.605 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC001594309581 999195218 /nfs/dbraw/zinc/19/52/18/999195218.db2.gz XURLSXRHVYJGNB-VNHYZAJKSA-N -1 3 382.526 3.960 20 0 GHADHM Cc1cc([C@H]2CN(C(=O)CCCc3ccc([O-])c(F)c3)CCO2)ccc1F ZINC000468977523 1016300035 /nfs/dbraw/zinc/30/00/35/1016300035.db2.gz MJTIBQZJPMAZHK-HXUWFJFHSA-N -1 3 375.415 3.902 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cn2)C[C@H](C)O1 ZINC000468998509 1016323126 /nfs/dbraw/zinc/32/31/26/1016323126.db2.gz NIDAGZIWBWKSLB-GASCZTMLSA-N -1 3 387.455 3.501 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cn2)C[C@@H](C)O1 ZINC000468998963 1016323168 /nfs/dbraw/zinc/32/31/68/1016323168.db2.gz NIDAGZIWBWKSLB-HUUCEWRRSA-N -1 3 387.455 3.501 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000469556136 1016589952 /nfs/dbraw/zinc/58/99/52/1016589952.db2.gz IKSDOJQXZQCCDQ-UHFFFAOYSA-N -1 3 398.434 3.532 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3CCc4nn(-c5ccccc5)cc4C3)c2c1 ZINC001154530302 1032167556 /nfs/dbraw/zinc/16/75/56/1032167556.db2.gz DYCJYERDIFTQBE-UHFFFAOYSA-N -1 3 384.439 3.633 20 0 GHADHM CCc1cnc(=S)[n-]c1O[C@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C ZINC001227062671 1032256401 /nfs/dbraw/zinc/25/64/01/1032256401.db2.gz YJLWMXUKOLAPEH-ZOBORPQBSA-N -1 3 383.489 3.585 20 0 GHADHM CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC001154776983 1032281007 /nfs/dbraw/zinc/28/10/07/1032281007.db2.gz OIGFCZFUOQNYGY-OAHLLOKOSA-N -1 3 379.460 3.790 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797268 1032287745 /nfs/dbraw/zinc/28/77/45/1032287745.db2.gz MBSHDSKINKHUMN-UHFFFAOYSA-N -1 3 389.455 3.877 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC001154797048 1032288800 /nfs/dbraw/zinc/28/88/00/1032288800.db2.gz CVVAWJPHPLUQNS-UHFFFAOYSA-N -1 3 375.856 3.822 20 0 GHADHM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC001154840718 1032303972 /nfs/dbraw/zinc/30/39/72/1032303972.db2.gz UZPMUVZYVUWYDV-KSFYIVLOSA-N -1 3 392.503 3.562 20 0 GHADHM CCOC(=O)[C@H](Oc1cccc([O-])c1I)c1ccccc1 ZINC001227375682 1032393887 /nfs/dbraw/zinc/39/38/87/1032393887.db2.gz KXGFEOVGPVNBQH-OAHLLOKOSA-N -1 3 398.196 3.680 20 0 GHADHM O=C(NCc1noc(-c2ccco2)n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001155052876 1032396169 /nfs/dbraw/zinc/39/61/69/1032396169.db2.gz HAJZSYFKPHRQIE-UHFFFAOYSA-N -1 3 389.411 3.750 20 0 GHADHM O=C(Nc1cc(F)c(OCC2CC2)c(F)c1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155186119 1032448460 /nfs/dbraw/zinc/44/84/60/1032448460.db2.gz JABCSKFOISLKSA-UHFFFAOYSA-N -1 3 378.766 3.931 20 0 GHADHM O=C(Nc1cc(F)c(OCC2CC2)c(F)c1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155186119 1032448465 /nfs/dbraw/zinc/44/84/65/1032448465.db2.gz JABCSKFOISLKSA-UHFFFAOYSA-N -1 3 378.766 3.931 20 0 GHADHM O=C(Nc1cc(F)c(OCC2CC2)c(F)c1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155186119 1032448470 /nfs/dbraw/zinc/44/84/70/1032448470.db2.gz JABCSKFOISLKSA-UHFFFAOYSA-N -1 3 378.766 3.931 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584095 1032472918 /nfs/dbraw/zinc/47/29/18/1032472918.db2.gz QGMJFBYIWQOVNJ-CMPLNLGQSA-N -1 3 376.375 3.830 20 0 GHADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc2c(c1)CCCO2 ZINC000777626417 1017418001 /nfs/dbraw/zinc/41/80/01/1017418001.db2.gz SFJNLGNYOAVJEP-KRWDZBQOSA-N -1 3 390.505 3.955 20 0 GHADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cnc(OCC2CC2)cn1 ZINC000560001957 1017529513 /nfs/dbraw/zinc/52/95/13/1017529513.db2.gz AXLWNBUHFVALFS-UHFFFAOYSA-N -1 3 399.501 3.662 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c([O-])c1 ZINC000928944880 1017580093 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377.510 3.519 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C[C@@](C)(O)c3ccccc3)nc(=O)c2c1C ZINC000778335997 1019000777 /nfs/dbraw/zinc/00/07/77/1019000777.db2.gz IWVJXTZPYKPJCT-MPBGBICISA-N -1 3 386.473 3.916 20 0 GHADHM O=c1[n-]c(C2CCN(Cc3cccc4c(Br)cccc34)CC2)n[nH]1 ZINC000564251316 1019042661 /nfs/dbraw/zinc/04/26/61/1019042661.db2.gz PDTHSCAUOHVKDL-UHFFFAOYSA-N -1 3 387.281 3.806 20 0 GHADHM Cc1c2ccccc2nc(NC[C@H](C)N2CCc3sccc3C2)c1C(=O)[O-] ZINC000564732418 1019104117 /nfs/dbraw/zinc/10/41/17/1019104117.db2.gz NWIDYZOGYXNEFS-ZDUSSCGKSA-N -1 3 381.501 3.584 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc(C(=O)c3ccccc3)ccc2[O-])CC1=O ZINC001228153423 1032811196 /nfs/dbraw/zinc/81/11/96/1032811196.db2.gz DPGZGOMKJFKHDU-MRXNPFEDSA-N -1 3 397.427 3.538 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000565293637 1019174898 /nfs/dbraw/zinc/17/48/98/1019174898.db2.gz YJTIABSSMSSFSZ-MRVPVSSYSA-N -1 3 377.318 3.978 20 0 GHADHM COCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000568228733 1019383204 /nfs/dbraw/zinc/38/32/04/1019383204.db2.gz IHSDKMHJURANOR-AWEZNQCLSA-N -1 3 395.381 3.586 20 0 GHADHM [O-]c1c(Br)c(F)ccc1Nc1cccc(CCN2CCOCC2)c1 ZINC001204397907 1032823953 /nfs/dbraw/zinc/82/39/53/1032823953.db2.gz RUEBPLIIVDUYMV-UHFFFAOYSA-N -1 3 395.272 3.912 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@]2(CCSC2)C1 ZINC000568637101 1019431381 /nfs/dbraw/zinc/43/13/81/1019431381.db2.gz QJBRASFMARASNQ-JOCHJYFZSA-N -1 3 383.513 3.526 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000570947166 1019656799 /nfs/dbraw/zinc/65/67/99/1019656799.db2.gz SLYLSBCXDXSGBB-CQSZACIVSA-N -1 3 393.480 3.525 20 0 GHADHM O=C([C@H](Sc1ccccc1F)c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000572521723 1019782919 /nfs/dbraw/zinc/78/29/19/1019782919.db2.gz NXZURBVKTFOWJF-LJQANCHMSA-N -1 3 395.459 3.740 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000574768876 1019908084 /nfs/dbraw/zinc/90/80/84/1019908084.db2.gz QAXNRQQTNVYZCH-UHFFFAOYSA-N -1 3 377.448 3.929 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2(C)CCCC2)no1 ZINC000577247630 1020154523 /nfs/dbraw/zinc/15/45/23/1020154523.db2.gz OVGAWTAXSYSMFG-GFCCVEGCSA-N -1 3 383.901 3.885 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000779027704 1020286351 /nfs/dbraw/zinc/28/63/51/1020286351.db2.gz SSGOUQONDBGKDR-NSHDSACASA-N -1 3 399.285 3.740 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1)C1CC1 ZINC000578070410 1020315728 /nfs/dbraw/zinc/31/57/28/1020315728.db2.gz RPXBXONYVQAKNK-HNNXBMFYSA-N -1 3 386.470 3.550 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC001156237022 1032935657 /nfs/dbraw/zinc/93/56/57/1032935657.db2.gz HZGGUINWULHTMK-HKUYNNGSSA-N -1 3 380.488 3.534 20 0 GHADHM COc1cc(/C=C2/NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000194136556 1020963068 /nfs/dbraw/zinc/96/30/68/1020963068.db2.gz DIKDUBMGFFUSRF-KPKJPENVSA-N -1 3 395.267 3.970 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](CCc2ccccc2)c2ccccn2)c(=O)[n-]1 ZINC000637738665 1021030015 /nfs/dbraw/zinc/03/00/15/1021030015.db2.gz AIUSAPRLDRSKCB-OAQYLSRUSA-N -1 3 390.487 3.617 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(COC(F)(F)F)cc1 ZINC000796248627 1021123743 /nfs/dbraw/zinc/12/37/43/1021123743.db2.gz CRGIMYADUMFVNE-UHFFFAOYSA-N -1 3 394.305 3.836 20 0 GHADHM Cc1sc2nc(-c3cccs3)nc(NCCCc3c[n-][nH]c3=O)c2c1C ZINC001156285453 1032958291 /nfs/dbraw/zinc/95/82/91/1032958291.db2.gz VRAWFWIDZYVTQE-LBPRGKRZSA-N -1 3 385.518 3.961 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001156285612 1032958350 /nfs/dbraw/zinc/95/83/50/1032958350.db2.gz XACGLJBSERVCBD-LLVKDONJSA-N -1 3 396.800 3.692 20 0 GHADHM C/C(=C\C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC001140272127 1021297580 /nfs/dbraw/zinc/29/75/80/1021297580.db2.gz NXOGQBLMAYBOEW-YVAPMFQZSA-N -1 3 387.867 3.623 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2cc3c(cc2[nH]1)OCO3 ZINC001156312776 1032973881 /nfs/dbraw/zinc/97/38/81/1032973881.db2.gz DMUHMSSGDHZAJQ-UHFFFAOYSA-N -1 3 375.178 3.617 20 0 GHADHM C/C(=C/c1ccccc1OC(F)F)CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901968911 1021470339 /nfs/dbraw/zinc/47/03/39/1021470339.db2.gz XVWRKBJAKSSYKH-STGPWXPGSA-N -1 3 379.325 3.886 20 0 GHADHM Cc1cc(F)ncc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001204601594 1032990281 /nfs/dbraw/zinc/99/02/81/1032990281.db2.gz HHUCDZAJISYRHU-UHFFFAOYSA-N -1 3 399.491 3.962 20 0 GHADHM Cc1[nH]c(CN2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)c1C(=O)[O-] ZINC001140500321 1021875744 /nfs/dbraw/zinc/87/57/44/1021875744.db2.gz ARNYHPNNQNSMTG-OAQYLSRUSA-N -1 3 391.512 3.553 20 0 GHADHM O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC001204651282 1033012963 /nfs/dbraw/zinc/01/29/63/1033012963.db2.gz ONHSWULDMPWNEZ-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C1OC2(CCN(Cc3cccc([O-])c3Br)CC2)c2ccccc21 ZINC001140548358 1021949610 /nfs/dbraw/zinc/94/96/10/1021949610.db2.gz JXJNBNXLDFKPIV-UHFFFAOYSA-N -1 3 388.261 3.816 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cccc([O-])c1Br ZINC001140550351 1021951855 /nfs/dbraw/zinc/95/18/55/1021951855.db2.gz RKCCQGPIGNGOTI-KBPBESRZSA-N -1 3 397.313 3.738 20 0 GHADHM O=C1CN(Cc2cccc([O-])c2Br)CCN1c1ccccc1Cl ZINC001140555780 1021959821 /nfs/dbraw/zinc/95/98/21/1021959821.db2.gz WDWQJUCTSLWGDO-UHFFFAOYSA-N -1 3 395.684 3.657 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000754027936 1022431686 /nfs/dbraw/zinc/43/16/86/1022431686.db2.gz KOINVTRLIBZZHQ-UHFFFAOYSA-N -1 3 399.424 3.834 20 0 GHADHM CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc([O-])c1Br ZINC001204749621 1033064512 /nfs/dbraw/zinc/06/45/12/1033064512.db2.gz CLYOHJDBYPMYFN-UHFFFAOYSA-N -1 3 385.208 3.503 20 0 GHADHM C[C@H]1CCCC(=O)CCCC=Cc2cc([O-])cc(OC3CN(C)C3)c2C(=O)O1 ZINC001228730752 1033067274 /nfs/dbraw/zinc/06/72/74/1033067274.db2.gz IZAKDCBIDLPTID-HNNXBMFYSA-N -1 3 387.476 3.567 20 0 GHADHM [O-]c1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)c(F)c1F ZINC001140889717 1022807697 /nfs/dbraw/zinc/80/76/97/1022807697.db2.gz ZGGPEQHXMGXMCZ-LJQANCHMSA-N -1 3 395.400 3.803 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140892625 1022816995 /nfs/dbraw/zinc/81/69/95/1022816995.db2.gz UQMISNGRUJPUFS-SJLPKXTDSA-N -1 3 375.415 3.982 20 0 GHADHM COc1cc(Br)ccc1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000754711450 1022851377 /nfs/dbraw/zinc/85/13/77/1022851377.db2.gz CMJLRWPSZHDDHS-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C2CCN(c3ccc(C(C)(C)C)cc3)CC2)s1 ZINC000754793012 1022899884 /nfs/dbraw/zinc/89/98/84/1022899884.db2.gz MJGBVZDCYRZKIU-UHFFFAOYSA-N -1 3 393.578 3.696 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ncccc1O[C@H](C)c1ccccc1 ZINC000836531462 1023085759 /nfs/dbraw/zinc/08/57/59/1023085759.db2.gz YARHFKSCFBUDSK-CQSZACIVSA-N -1 3 387.436 3.616 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ncccc1O[C@H](C)c1ccccc1 ZINC000836531462 1023085771 /nfs/dbraw/zinc/08/57/71/1023085771.db2.gz YARHFKSCFBUDSK-CQSZACIVSA-N -1 3 387.436 3.616 20 0 GHADHM O=C1C[C@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)CN1c1ccc(F)c(F)c1 ZINC001140990174 1023101217 /nfs/dbraw/zinc/10/12/17/1023101217.db2.gz OTJTXHJNZRIIAZ-FQEVSTJZSA-N -1 3 394.368 3.578 20 0 GHADHM CC[C@H](C)N1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277331594 1033111617 /nfs/dbraw/zinc/11/16/17/1033111617.db2.gz LXVRXUCZYUFSJT-LBPRGKRZSA-N -1 3 386.323 3.707 20 0 GHADHM CN(Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)C(=O)OC(C)(C)C ZINC000836816224 1023384987 /nfs/dbraw/zinc/38/49/87/1023384987.db2.gz GXUPQMCKOHGJAV-UHFFFAOYSA-N -1 3 399.426 3.716 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)[C@H](O)c1c(F)cccc1F ZINC000756007154 1023475987 /nfs/dbraw/zinc/47/59/87/1023475987.db2.gz HCHDUUBFLAJCAD-WBVHZDCISA-N -1 3 385.357 3.694 20 0 GHADHM CC(C)(Oc1cc2c(cc1[O-])CCC2=O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001228853749 1033137185 /nfs/dbraw/zinc/13/71/85/1033137185.db2.gz KHLBGIKGOONLBU-OAQYLSRUSA-N -1 3 392.407 3.789 20 0 GHADHM CC(C)(Oc1cc2c(cc1[O-])CCC2=O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001228853337 1033137761 /nfs/dbraw/zinc/13/77/61/1033137761.db2.gz HRAWODANYMKUKK-FQEVSTJZSA-N -1 3 392.407 3.789 20 0 GHADHM COc1ccc2c(c1)C=C(C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)CO2 ZINC000756288309 1023580099 /nfs/dbraw/zinc/58/00/99/1023580099.db2.gz BXVAEZKMRUYPGS-UHFFFAOYSA-N -1 3 390.395 3.548 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc([O-])c(F)c3F)C[C@H]21 ZINC001204953050 1033182241 /nfs/dbraw/zinc/18/22/41/1033182241.db2.gz SKEREXGVBCBAKM-BPLDGKMQSA-N -1 3 382.451 3.796 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCCN1Cc1cccnc1 ZINC000117755316 1024099819 /nfs/dbraw/zinc/09/98/19/1024099819.db2.gz NVFICXBCJHKQSJ-MRXNPFEDSA-N -1 3 390.281 3.543 20 0 GHADHM CCc1cccc(C(=O)N(C)C[C@H](O)c2ccccc2Br)c1[O-] ZINC000837156918 1024162545 /nfs/dbraw/zinc/16/25/45/1024162545.db2.gz VGHCLGHYUCLYSR-INIZCTEOSA-N -1 3 378.266 3.523 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001141250221 1024284542 /nfs/dbraw/zinc/28/45/42/1024284542.db2.gz WNVTWAADBAKPLE-NSHDSACASA-N -1 3 398.850 3.880 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2ccc(I)cc2[O-])cc1C ZINC001138176861 1024306790 /nfs/dbraw/zinc/30/67/90/1024306790.db2.gz WYCTWDLCUNBZMF-SECBINFHSA-N -1 3 399.232 3.725 20 0 GHADHM Cc1ccc(N2CCN(Cc3cn(CC(=O)[O-])c4ccccc34)CC2)c(C)c1 ZINC001138196260 1024345013 /nfs/dbraw/zinc/34/50/13/1024345013.db2.gz YRBRDBDENYKZLV-UHFFFAOYSA-N -1 3 377.488 3.665 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837349904 1024369415 /nfs/dbraw/zinc/36/94/15/1024369415.db2.gz QXVFRNWRYIOEKB-UHFFFAOYSA-N -1 3 384.823 3.564 20 0 GHADHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000831256435 1024457162 /nfs/dbraw/zinc/45/71/62/1024457162.db2.gz VTTDQPPQGVRLCP-UHFFFAOYSA-N -1 3 385.258 3.541 20 0 GHADHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837545301 1024540251 /nfs/dbraw/zinc/54/02/51/1024540251.db2.gz LGVLDULDVVWPHD-UHFFFAOYSA-N -1 3 389.839 3.665 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@@H](C(C)C)C1 ZINC001138293033 1024569113 /nfs/dbraw/zinc/56/91/13/1024569113.db2.gz LUVGKXMMSLKWDH-OAHLLOKOSA-N -1 3 395.459 3.501 20 0 GHADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000837609407 1024584213 /nfs/dbraw/zinc/58/42/13/1024584213.db2.gz BCGIIGVTFVTPSS-SNVBAGLBSA-N -1 3 377.238 3.669 20 0 GHADHM Cc1ncc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(Br)c1Cl ZINC000837612161 1024586435 /nfs/dbraw/zinc/58/64/35/1024586435.db2.gz GHDZDFHZSLPPPD-UHFFFAOYSA-N -1 3 398.644 3.536 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC[C@@H](NC(=O)C4CC4)C3)cc2)c1 ZINC001141360574 1024710336 /nfs/dbraw/zinc/71/03/36/1024710336.db2.gz BTOFHDOSJYVDRT-OAQYLSRUSA-N -1 3 378.472 3.542 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn4ccc(C)cc34)nc(=O)c2c1C ZINC000837814468 1024729363 /nfs/dbraw/zinc/72/93/63/1024729363.db2.gz ALFZCOWEXQTNGC-NSHDSACASA-N -1 3 382.445 3.888 20 0 GHADHM CCc1cccc(C(=O)N(CC(=O)OC)Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC001138501540 1024935280 /nfs/dbraw/zinc/93/52/80/1024935280.db2.gz XUQAOYMBMGPHOD-UHFFFAOYSA-N -1 3 395.377 3.789 20 0 GHADHM C[C@H](NC(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000838140818 1024942033 /nfs/dbraw/zinc/94/20/33/1024942033.db2.gz CBVJHNOYMMMEGS-RYUDHWBXSA-N -1 3 379.815 3.536 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)Cc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000838141835 1024942856 /nfs/dbraw/zinc/94/28/56/1024942856.db2.gz SIQPSQRQAYPNTA-LBPRGKRZSA-N -1 3 379.815 3.914 20 0 GHADHM COc1ccc2nc([C@@H](C)NC(=O)c3ccc(Br)cc3[O-])[nH]c2c1 ZINC001138589234 1025073115 /nfs/dbraw/zinc/07/31/15/1025073115.db2.gz QNFNVXFRQQSNBL-SECBINFHSA-N -1 3 390.237 3.531 20 0 GHADHM O=C(NCCc1cc2ccccc2s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001141444441 1025073609 /nfs/dbraw/zinc/07/36/09/1025073609.db2.gz NVFKNJFVKMBGMT-UHFFFAOYSA-N -1 3 384.407 3.994 20 0 GHADHM O=c1cc(CN2CCC(O)(c3c(F)cccc3F)CC2)nc(-c2ccccc2)[n-]1 ZINC000838939165 1025457975 /nfs/dbraw/zinc/45/79/75/1025457975.db2.gz ITYYDMLYTBCGEH-UHFFFAOYSA-N -1 3 397.425 3.611 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc2cc(OC(F)(F)F)ccc2s1 ZINC001156860692 1033285373 /nfs/dbraw/zinc/28/53/73/1033285373.db2.gz UDOILYATAXDGRW-UHFFFAOYSA-N -1 3 399.350 3.952 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc2cc(OC(F)(F)F)ccc2s1 ZINC001156860692 1033285381 /nfs/dbraw/zinc/28/53/81/1033285381.db2.gz UDOILYATAXDGRW-UHFFFAOYSA-N -1 3 399.350 3.952 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000838994743 1025507441 /nfs/dbraw/zinc/50/74/41/1025507441.db2.gz MADKQZMRZBNQHL-OLZOCXBDSA-N -1 3 399.329 3.890 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000832527544 1025653467 /nfs/dbraw/zinc/65/34/67/1025653467.db2.gz LRAKPXKKAYVWDS-UHFFFAOYSA-N -1 3 379.428 3.516 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001138961771 1025664852 /nfs/dbraw/zinc/66/48/52/1025664852.db2.gz DWLUGCNTFHSBEV-UHFFFAOYSA-N -1 3 388.895 3.791 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC001162602001 1025822750 /nfs/dbraw/zinc/82/27/50/1025822750.db2.gz ZBSQQWWHDIZCNQ-QZTJIDSGSA-N -1 3 384.476 3.967 20 0 GHADHM Cc1c([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)onc1C1CCCCC1 ZINC000839357517 1025842927 /nfs/dbraw/zinc/84/29/27/1025842927.db2.gz LNSWKRYILPIRQF-UHFFFAOYSA-N -1 3 397.522 3.595 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)c1ccsc1 ZINC001141610290 1025880778 /nfs/dbraw/zinc/88/07/78/1025880778.db2.gz IJYKNKJULLPBNU-INIZCTEOSA-N -1 3 387.480 3.954 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3ccccc3NC3CCCCC3)c2c(=O)n1C ZINC001162761384 1025909114 /nfs/dbraw/zinc/90/91/14/1025909114.db2.gz JVKQLPOIYUJUCL-UHFFFAOYSA-N -1 3 379.464 3.567 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)[n-]n1 ZINC001162880222 1025952064 /nfs/dbraw/zinc/95/20/64/1025952064.db2.gz LAURDYJMAFUIHF-UHFFFAOYSA-N -1 3 397.475 3.845 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n[n-]1 ZINC001162880222 1025952070 /nfs/dbraw/zinc/95/20/70/1025952070.db2.gz LAURDYJMAFUIHF-UHFFFAOYSA-N -1 3 397.475 3.845 20 0 GHADHM CCCCOc1ccc2cc(-n3c4[n-]c(=O)sc4c(=O)nc3N)ccc2c1 ZINC001163047991 1026025064 /nfs/dbraw/zinc/02/50/64/1026025064.db2.gz IGISVWHTRWFXCZ-UHFFFAOYSA-N -1 3 382.445 3.705 20 0 GHADHM CC[C@H](C)C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC ZINC001163176956 1026077590 /nfs/dbraw/zinc/07/75/90/1026077590.db2.gz GOZXHPOCUJEJOW-OXJNMPFZSA-N -1 3 383.488 3.885 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccc(C(C)=O)c([O-])c3)CC2)cc1 ZINC000839774242 1026258657 /nfs/dbraw/zinc/25/86/57/1026258657.db2.gz NAGNAYUFTXBCGU-QFIPXVFZSA-N -1 3 397.471 3.579 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1NCCc1cccc(OCC)c1 ZINC001163713497 1026291630 /nfs/dbraw/zinc/29/16/30/1026291630.db2.gz IDWGKDRTEKPCLK-UHFFFAOYSA-N -1 3 388.493 3.578 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCCc1cccc(OCC)c1 ZINC001163713497 1026291639 /nfs/dbraw/zinc/29/16/39/1026291639.db2.gz IDWGKDRTEKPCLK-UHFFFAOYSA-N -1 3 388.493 3.578 20 0 GHADHM COc1cccc(C)c1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001139431580 1026302491 /nfs/dbraw/zinc/30/24/91/1026302491.db2.gz PKQPCVBUMOXIBD-UHFFFAOYSA-N -1 3 392.333 3.996 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Cl)cc1Nc1ccccc1 ZINC001139541120 1026402648 /nfs/dbraw/zinc/40/26/48/1026402648.db2.gz OZAQYSLHJNHQIT-UHFFFAOYSA-N -1 3 386.795 3.546 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001139889009 1026704144 /nfs/dbraw/zinc/70/41/44/1026704144.db2.gz VFCAPBLIWARXRO-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(F)(F)F ZINC001165515279 1026751698 /nfs/dbraw/zinc/75/16/98/1026751698.db2.gz NIDOUZQRJFLEGW-KRWDZBQOSA-N -1 3 395.377 3.597 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1 ZINC001141769869 1027190395 /nfs/dbraw/zinc/19/03/95/1027190395.db2.gz CUXWNPKXUVBFPE-UHFFFAOYSA-N -1 3 379.391 3.993 20 0 GHADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC001209869670 1027254953 /nfs/dbraw/zinc/25/49/53/1027254953.db2.gz KJBQRTHURNXQQA-WDEREUQCSA-N -1 3 379.931 3.744 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(O)cc2)c(Br)c1 ZINC001210056621 1027329718 /nfs/dbraw/zinc/32/97/18/1027329718.db2.gz DGTCBLWVTMVTBS-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@@H]3CCC(F)(F)C3)n2)cc1 ZINC001210902808 1027700115 /nfs/dbraw/zinc/70/01/15/1027700115.db2.gz MVIWSRXBNTUWOS-GXTWGEPZSA-N -1 3 399.463 3.715 20 0 GHADHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)ccc1Cl ZINC001210971244 1027729095 /nfs/dbraw/zinc/72/90/95/1027729095.db2.gz JGJPRYFNYXUZMZ-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM Cc1nc(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)no1 ZINC001211173294 1027822362 /nfs/dbraw/zinc/82/23/62/1027822362.db2.gz YJSIYGWQMYOZPF-PZJWPPBQSA-N -1 3 397.500 3.659 20 0 GHADHM O=C1N(CC2CC2)CC[C@@]12CCCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142109206 1028127957 /nfs/dbraw/zinc/12/79/57/1028127957.db2.gz JBDBNMMOJRBNDB-LJQANCHMSA-N -1 3 383.319 3.924 20 0 GHADHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001142111282 1028140408 /nfs/dbraw/zinc/14/04/08/1028140408.db2.gz GQJGYIWVAMVMEU-CVEARBPZSA-N -1 3 398.315 3.645 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)sc1Br ZINC001213385766 1028154117 /nfs/dbraw/zinc/15/41/17/1028154117.db2.gz XHCRQMAHWDUVQU-VHSXEESVSA-N -1 3 378.338 3.715 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)C(C)(F)F ZINC001213412184 1028174517 /nfs/dbraw/zinc/17/45/17/1028174517.db2.gz FHIRKCNQJIUURG-UHFFFAOYSA-N -1 3 376.288 3.779 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cc(F)ccc3I)no2)n1 ZINC001213699384 1028338579 /nfs/dbraw/zinc/33/85/79/1028338579.db2.gz HAUFLWLPCJKRNL-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001213876812 1028425269 /nfs/dbraw/zinc/42/52/69/1028425269.db2.gz PRGVYDIAGXXCMJ-UMSPYCQHSA-N -1 3 383.819 3.785 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)c(F)cc3Br)no2)[n-]1 ZINC001213975063 1028483602 /nfs/dbraw/zinc/48/36/02/1028483602.db2.gz PARASKCEQZXTNG-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(F)c(Br)c3F)no2)[n-]1 ZINC001213977163 1028485170 /nfs/dbraw/zinc/48/51/70/1028485170.db2.gz PAJMMADZAKQDSL-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCCC1 ZINC001213976347 1028485419 /nfs/dbraw/zinc/48/54/19/1028485419.db2.gz WCSYRNOHMBBFQE-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(F)c3Br)no2)[n-]1 ZINC001213977330 1028486409 /nfs/dbraw/zinc/48/64/09/1028486409.db2.gz XXDXYOXRESRAGU-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)/C=C/c2ccccc2Cl)[C@@H]1O ZINC000841541641 1028722906 /nfs/dbraw/zinc/72/29/06/1028722906.db2.gz BANROSLHVILLSY-IXFUNQINSA-N -1 3 399.921 3.565 20 0 GHADHM O=C(Nc1c(Cl)ccc([O-])c1Cl)C1CCN(Cc2ccncc2)CC1 ZINC001142344691 1028727333 /nfs/dbraw/zinc/72/73/33/1028727333.db2.gz LKPTUOKXVJDKRK-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001142443751 1028930058 /nfs/dbraw/zinc/93/00/58/1028930058.db2.gz GYMJOPAWNBLHCZ-DGCLKSJQSA-N -1 3 398.297 3.595 20 0 GHADHM CN1C(=O)CCc2cc(CN[C@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)ccc21 ZINC000841795302 1028940878 /nfs/dbraw/zinc/94/08/78/1028940878.db2.gz ICQZMCATFKMILS-SFHVURJKSA-N -1 3 392.377 3.530 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000841805587 1028952474 /nfs/dbraw/zinc/95/24/74/1028952474.db2.gz PZNFHBSEIKDTDE-SFHVURJKSA-N -1 3 386.448 3.546 20 0 GHADHM CCCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@@H](C)c1ccccc1OC ZINC001142469010 1028975065 /nfs/dbraw/zinc/97/50/65/1028975065.db2.gz AGRYYTSZNBHLNL-KRWDZBQOSA-N -1 3 398.503 3.829 20 0 GHADHM COc1cccc(-c2nc(-c3ccn4c(Br)cnc4c3)no2)c1[O-] ZINC001215143774 1029057399 /nfs/dbraw/zinc/05/73/99/1029057399.db2.gz RBUNXZVOLDBJCQ-UHFFFAOYSA-N -1 3 387.193 3.528 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001142656882 1029216050 /nfs/dbraw/zinc/21/60/50/1029216050.db2.gz LQYFKJUABGJPHD-UHFFFAOYSA-N -1 3 384.863 3.914 20 0 GHADHM Nc1cncc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2Cl)c1 ZINC001215759934 1029383449 /nfs/dbraw/zinc/38/34/49/1029383449.db2.gz DGXMWEJITRHKMS-UHFFFAOYSA-N -1 3 389.864 3.697 20 0 GHADHM CSc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2N)c1F ZINC001215869307 1029432032 /nfs/dbraw/zinc/43/20/32/1029432032.db2.gz PGXRWLUXFCRBTQ-UHFFFAOYSA-N -1 3 391.287 3.693 20 0 GHADHM Cc1c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)[nH]c2ccc1Br ZINC001142790124 1029460691 /nfs/dbraw/zinc/46/06/91/1029460691.db2.gz BKZSDGRMKAYOBH-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)[nH]c2ccc1Br ZINC001142790124 1029460699 /nfs/dbraw/zinc/46/06/99/1029460699.db2.gz BKZSDGRMKAYOBH-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(-c2ccncc2)c1)OCC ZINC001216144699 1029541311 /nfs/dbraw/zinc/54/13/11/1029541311.db2.gz JLNOSQPTUWQGHH-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM CCS(=O)(=O)Nc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001216652320 1029716980 /nfs/dbraw/zinc/71/69/80/1029716980.db2.gz CGWBMRUSGFCFOS-UHFFFAOYSA-N -1 3 389.246 3.799 20 0 GHADHM Cc1nc(SC2CCCC2)sc1Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843027105 1029768832 /nfs/dbraw/zinc/76/88/32/1029768832.db2.gz VRVPKLRZOVPRAZ-UHFFFAOYSA-N -1 3 375.479 3.623 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001216958617 1030031145 /nfs/dbraw/zinc/03/11/45/1030031145.db2.gz IRYKIJRRTURLKV-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001216957881 1030031830 /nfs/dbraw/zinc/03/18/30/1030031830.db2.gz AGPXRWNHKBPMGA-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001216959817 1030033343 /nfs/dbraw/zinc/03/33/43/1030033343.db2.gz WFOKNBKCISXJIE-UHFFFAOYSA-N -1 3 385.178 3.926 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1NC(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149191721 1030085866 /nfs/dbraw/zinc/08/58/66/1030085866.db2.gz YEDCVIJOAWSADK-UHFFFAOYSA-N -1 3 381.388 3.543 20 0 GHADHM [O-]c1cc(I)cc(-c2nc(-c3ccccc3F)no2)c1 ZINC001217066143 1030138889 /nfs/dbraw/zinc/13/88/89/1030138889.db2.gz WMAKCGQWBGWAGH-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](Sc1ccccc1)c1ccccc1)C2 ZINC001149673064 1030266792 /nfs/dbraw/zinc/26/67/92/1030266792.db2.gz YSZIQQAMMRNRQN-LJQANCHMSA-N -1 3 377.469 3.866 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(c2ccc(O)cc2)CC1 ZINC001149864901 1030331754 /nfs/dbraw/zinc/33/17/54/1030331754.db2.gz SKQPAUBLIWWPTB-UHFFFAOYSA-N -1 3 382.847 3.907 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cc(F)cc(OC(F)(F)F)c3)no2)C1=O ZINC001217354989 1030331715 /nfs/dbraw/zinc/33/17/15/1030331715.db2.gz NJMFARCMPALPRH-UHFFFAOYSA-N -1 3 393.252 3.576 20 0 GHADHM COc1cc(-c2noc(-c3cc4cc(O)ccc4cc3[O-])n2)cc(OC)c1OC ZINC001217418006 1030379322 /nfs/dbraw/zinc/37/93/22/1030379322.db2.gz WVEPLLFZHXWZEP-UHFFFAOYSA-N -1 3 394.383 3.994 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3ccc([O-])c4ccccc34)n2)cc1 ZINC001217435358 1030389984 /nfs/dbraw/zinc/38/99/84/1030389984.db2.gz FTZFGAVGLIDMTB-UHFFFAOYSA-N -1 3 375.384 3.896 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3ccc([O-])c4ccccc34)n2)c1 ZINC001217435797 1030391025 /nfs/dbraw/zinc/39/10/25/1030391025.db2.gz HNTJSRZGNQPQLN-UHFFFAOYSA-N -1 3 375.384 3.896 20 0 GHADHM COc1cc(-c2noc(-c3c([O-])cnc4ccccc43)n2)cc(OC)c1OC ZINC001217441611 1030394570 /nfs/dbraw/zinc/39/45/70/1030394570.db2.gz OJIXKTBXXFBQPG-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc([O-])c(F)c2)CC1=O ZINC001150365467 1030506851 /nfs/dbraw/zinc/50/68/51/1030506851.db2.gz BICVSKSXVHGGLF-GDBMZVCRSA-N -1 3 384.451 3.714 20 0 GHADHM Cc1cccc2ncc(NC(=O)c3c[n-]c4ccc(C(F)(F)F)cc4c3=O)n21 ZINC001150464161 1030533643 /nfs/dbraw/zinc/53/36/43/1030533643.db2.gz PSVBOGREFFNICQ-UHFFFAOYSA-N -1 3 386.333 3.755 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)c2cc[nH]c2n1 ZINC001150463237 1030533746 /nfs/dbraw/zinc/53/37/46/1030533746.db2.gz ARWUQMPUSWZDFF-UHFFFAOYSA-N -1 3 386.333 3.936 20 0 GHADHM C[C@@]1(CF)CC(F)(F)CN1C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150464676 1030534550 /nfs/dbraw/zinc/53/45/50/1030534550.db2.gz VKZPPZGBROVIIL-HNNXBMFYSA-N -1 3 392.299 3.756 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H]3CCCn4cc(C)nc43)nc21 ZINC001223404869 1030558125 /nfs/dbraw/zinc/55/81/25/1030558125.db2.gz XJJCBJRDJSNZOD-FZKQIMNGSA-N -1 3 392.818 3.725 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H]3CCCn4cc(C)nc43)[n-]c21 ZINC001223404869 1030558141 /nfs/dbraw/zinc/55/81/41/1030558141.db2.gz XJJCBJRDJSNZOD-FZKQIMNGSA-N -1 3 392.818 3.725 20 0 GHADHM O=c1c(O[C@H]2CCC23CC[NH2+]CC3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218080185 1030760259 /nfs/dbraw/zinc/76/02/59/1030760259.db2.gz BWXNYLRZKKUIAC-SFHVURJKSA-N -1 3 393.439 3.782 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)Nc1nccs1 ZINC001151308080 1030856142 /nfs/dbraw/zinc/85/61/42/1030856142.db2.gz SYMGGSKAWGOBBK-OAHLLOKOSA-N -1 3 375.494 3.755 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(Br)nc1 ZINC001151364651 1030878226 /nfs/dbraw/zinc/87/82/26/1030878226.db2.gz LOEXEURRDNVFRG-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ncnc2cccc(OC)c21 ZINC001151366039 1030880473 /nfs/dbraw/zinc/88/04/73/1030880473.db2.gz CMQHWGRWQBCXIF-UHFFFAOYSA-N -1 3 390.399 3.549 20 0 GHADHM Cc1nc2sccc2c(NC(=O)c2nc3cc(Br)ccc3[n-]2)n1 ZINC001151818910 1031014998 /nfs/dbraw/zinc/01/49/98/1031014998.db2.gz APYQLYZLSBEVAV-UHFFFAOYSA-N -1 3 388.250 3.891 20 0 GHADHM Cc1nc2sccc2c(NC(=O)c2nc3ccc(Br)cc3[n-]2)n1 ZINC001151818910 1031015017 /nfs/dbraw/zinc/01/50/17/1031015017.db2.gz APYQLYZLSBEVAV-UHFFFAOYSA-N -1 3 388.250 3.891 20 0 GHADHM O=C(Nc1cccc(-c2nnco2)c1)c1nc2cc(Br)ccc2[n-]1 ZINC001151827408 1031022959 /nfs/dbraw/zinc/02/29/59/1031022959.db2.gz ZSCVZZNPSCLTJJ-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1cccc(-c2nnco2)c1)c1nc2ccc(Br)cc2[n-]1 ZINC001151827408 1031022973 /nfs/dbraw/zinc/02/29/73/1031022973.db2.gz ZSCVZZNPSCLTJJ-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C1N(CC2CCCC2)CC[C@]12CCN(Cc1cc(F)c([O-])c(Cl)c1)C2 ZINC001276998822 1031131732 /nfs/dbraw/zinc/13/17/32/1031131732.db2.gz UYXBFZXASNLAKT-FQEVSTJZSA-N -1 3 380.891 3.799 20 0 GHADHM Cc1nc(NC(=O)c2cc3cc(Br)c(Cl)cc3[nH]2)cc(=O)[n-]1 ZINC001152730316 1031338508 /nfs/dbraw/zinc/33/85/08/1031338508.db2.gz WPTRPLKXDUEHKJ-UHFFFAOYSA-N -1 3 381.617 3.640 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225580035 1031488904 /nfs/dbraw/zinc/48/89/04/1031488904.db2.gz TZFMSQPTKMHMOT-JQWIXIFHSA-N -1 3 391.390 3.615 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cc(Br)ccc1[O-] ZINC001153473542 1031607436 /nfs/dbraw/zinc/60/74/36/1031607436.db2.gz NZALJAGCKGTTFD-UHFFFAOYSA-N -1 3 399.191 3.844 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1 ZINC001153812960 1031755110 /nfs/dbraw/zinc/75/51/10/1031755110.db2.gz SIHZIFPEHRDQSR-XLIONFOSSA-N -1 3 381.472 3.736 20 0 GHADHM CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)c3cnc4cccnc4c3[O-])C2)cc1 ZINC001153858309 1031775438 /nfs/dbraw/zinc/77/54/38/1031775438.db2.gz VJWVTOFAEHINJL-INIZCTEOSA-N -1 3 391.471 3.730 20 0 GHADHM COc1nscc1[N-]C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001153903590 1031802828 /nfs/dbraw/zinc/80/28/28/1031802828.db2.gz SVCVRRNMEXVGLX-UHFFFAOYSA-N -1 3 386.330 3.748 20 0 GHADHM O=C(NCc1cccc(-c2c[nH]cn2)c1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908750 1031807119 /nfs/dbraw/zinc/80/71/19/1031807119.db2.gz YLKGAAFRUYZYFN-UHFFFAOYSA-N -1 3 378.819 3.502 20 0 GHADHM O=C(Nc1ncnc2[nH]cc(Br)c21)c1c([O-])cc2ccccc2c1O ZINC001154023082 1031881357 /nfs/dbraw/zinc/88/13/57/1031881357.db2.gz MXOJHEHZMXJPDA-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM COC(=O)c1c[nH]c2ccc(NC(=O)c3c([O-])cc4ccccc4c3O)cc21 ZINC001154028408 1031886748 /nfs/dbraw/zinc/88/67/48/1031886748.db2.gz WNVLZFGLGSSUML-UHFFFAOYSA-N -1 3 376.368 3.771 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ncn(C3CCCCC3)n2)s1 ZINC001154047447 1031900519 /nfs/dbraw/zinc/90/05/19/1031900519.db2.gz ASUMRVBGRZTJKW-UHFFFAOYSA-N -1 3 392.485 3.839 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1sc2ncccc2c1Cl ZINC001154064134 1031904976 /nfs/dbraw/zinc/90/49/76/1031904976.db2.gz VARKTQCNUFDJLH-UHFFFAOYSA-N -1 3 380.784 3.833 20 0 GHADHM CC(C)(Oc1[n-]c(=S)nc2c1CCC2)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001226300796 1031907694 /nfs/dbraw/zinc/90/76/94/1031907694.db2.gz SRCZHPYQJSPDHV-QGZVFWFLSA-N -1 3 396.468 3.522 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N(C)Cc3c[nH]c4ccc(C)cc34)[n-]c2c1 ZINC001154115541 1031936067 /nfs/dbraw/zinc/93/60/67/1031936067.db2.gz USIUXFFWBXUIOS-UHFFFAOYSA-N -1 3 375.428 3.599 20 0 GHADHM CCCC[C@H](CC)COCCCNC(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154119063 1031937554 /nfs/dbraw/zinc/93/75/54/1031937554.db2.gz DBXFJUVZHOIFMO-INIZCTEOSA-N -1 3 388.508 3.890 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc4cccc(F)c4nc3C)[n-]nc21 ZINC001154142178 1031949638 /nfs/dbraw/zinc/94/96/38/1031949638.db2.gz FRTMIQAJYCVISU-UHFFFAOYSA-N -1 3 378.363 3.598 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc4cccc(F)c4nc3C)n[n-]c21 ZINC001154142178 1031949648 /nfs/dbraw/zinc/94/96/48/1031949648.db2.gz FRTMIQAJYCVISU-UHFFFAOYSA-N -1 3 378.363 3.598 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1ccc(O)cc1 ZINC000315339332 1031953020 /nfs/dbraw/zinc/95/30/20/1031953020.db2.gz JKKDINODFYNWFC-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM CC(=O)c1ccc([O-])c(OC[C@@H]2CO[C@]3(C[C@@H](C)CC[C@H]3C(C)C)O2)c1O ZINC001226482219 1031975281 /nfs/dbraw/zinc/97/52/81/1031975281.db2.gz LAXZLFHWUUSNNL-DFIRMOIBSA-N -1 3 378.465 3.883 20 0 GHADHM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCCN(Cc4ccccc4F)C3)c12 ZINC001226484591 1031976350 /nfs/dbraw/zinc/97/63/50/1031976350.db2.gz GGFJNDFPSWMLTP-KRWDZBQOSA-N -1 3 383.419 3.990 20 0 GHADHM CC(=O)N1CCC(Oc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)CC1 ZINC001226491733 1031981270 /nfs/dbraw/zinc/98/12/70/1031981270.db2.gz OXXFNVXYLYGQIM-UHFFFAOYSA-N -1 3 379.412 3.555 20 0 GHADHM CC(C)N1CC[C@@H](Oc2cc([O-])cc3occ(-c4ccc(O)cc4)c(=O)c23)C1 ZINC001226498475 1031986079 /nfs/dbraw/zinc/98/60/79/1031986079.db2.gz XBGYHFGNJSWVJH-QGZVFWFLSA-N -1 3 381.428 3.733 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C[C@H](N(C)C(=O)OC(C)(C)C)C3)cc12 ZINC001226533175 1031999064 /nfs/dbraw/zinc/99/90/64/1031999064.db2.gz BQGMCKYUVRFRSU-JOCQHMNTSA-N -1 3 375.421 3.584 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596503 1032032734 /nfs/dbraw/zinc/03/27/34/1032032734.db2.gz LEPJPWKQECSIBR-DZGCQCFKSA-N -1 3 393.411 3.615 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597538 1032033519 /nfs/dbraw/zinc/03/35/19/1032033519.db2.gz UZNZMZGVTHYOON-CJNGLKHVSA-N -1 3 389.448 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc([O-])c2Br)C(F)(F)C1 ZINC001229140244 1033303054 /nfs/dbraw/zinc/30/30/54/1033303054.db2.gz YNRUVLNCQUHEPR-LLVKDONJSA-N -1 3 394.212 3.788 20 0 GHADHM Cc1cc(Br)cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1C ZINC001157105476 1033416152 /nfs/dbraw/zinc/41/61/52/1033416152.db2.gz KSCVZKPHZQKWIA-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM Cc1cc(Br)cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1C ZINC001157105476 1033416157 /nfs/dbraw/zinc/41/61/57/1033416157.db2.gz KSCVZKPHZQKWIA-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1cc(Br)ccc1F ZINC001229337973 1033423666 /nfs/dbraw/zinc/42/36/66/1033423666.db2.gz PWBJNIAECMWPGM-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1cc(Br)ccc1F ZINC001229337973 1033423671 /nfs/dbraw/zinc/42/36/71/1033423671.db2.gz PWBJNIAECMWPGM-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM Cc1ccccc1Oc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)nc1 ZINC001157232200 1033484044 /nfs/dbraw/zinc/48/40/44/1033484044.db2.gz BNXYCIIONUYTNU-NSHDSACASA-N -1 3 391.353 3.810 20 0 GHADHM C[C@H](NC(=O)Cc1nc(C2CCCCC2)cs1)c1nc(C(F)(F)F)n[n-]1 ZINC001157242205 1033488552 /nfs/dbraw/zinc/48/85/52/1033488552.db2.gz JEOYOWBTLMZVMI-VIFPVBQESA-N -1 3 387.431 3.748 20 0 GHADHM Cc1c2occ(CC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c2ccc1Cl ZINC001157243934 1033488611 /nfs/dbraw/zinc/48/86/11/1033488611.db2.gz SXPPROMUXCRLAF-QMMMGPOBSA-N -1 3 386.761 3.951 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC(Oc3nc(=S)[n-]c4sccc43)C2)C1 ZINC001229565332 1033560596 /nfs/dbraw/zinc/56/05/96/1033560596.db2.gz MRZMMJGDMQNISO-UHFFFAOYSA-N -1 3 379.507 3.758 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2nc(=S)[n-]c3sccc32)C1 ZINC001229569067 1033562672 /nfs/dbraw/zinc/56/26/72/1033562672.db2.gz JFOLSNMEHVNXOO-NSHDSACASA-N -1 3 379.507 3.758 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccccc2Cl)no1 ZINC001206053933 1033701364 /nfs/dbraw/zinc/70/13/64/1033701364.db2.gz OUECCXHGCMGYKV-LBPRGKRZSA-N -1 3 377.853 3.571 20 0 GHADHM Cc1cc(Cl)cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c1 ZINC001206060204 1033702868 /nfs/dbraw/zinc/70/28/68/1033702868.db2.gz NBOOHCRFDYIQKT-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM Cc1c(F)cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)cc1F ZINC001206059888 1033703454 /nfs/dbraw/zinc/70/34/54/1033703454.db2.gz JCJVVKFDZKJPHX-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM COc1ccc([C@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)cc1 ZINC001230187564 1033935949 /nfs/dbraw/zinc/93/59/49/1033935949.db2.gz AIJBMYSPYBVOCW-INIZCTEOSA-N -1 3 391.471 3.889 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c([O-])c1 ZINC001158366949 1034047262 /nfs/dbraw/zinc/04/72/62/1034047262.db2.gz LPHRAPXJITTYTP-OAHLLOKOSA-N -1 3 397.425 3.841 20 0 GHADHM Cc1c(CN2CC(C[N-]C(=O)C(F)(F)F)C2)sc2c1cccc2Cl ZINC001207262318 1034220153 /nfs/dbraw/zinc/22/01/53/1034220153.db2.gz VZKWTWRUMPRFFJ-UHFFFAOYSA-N -1 3 376.831 3.973 20 0 GHADHM O=c1nc2cc(F)ccc2c(O/C(=C\[C@H](O)C(F)(F)F)c2cccs2)[n-]1 ZINC001230885322 1034270154 /nfs/dbraw/zinc/27/01/54/1034270154.db2.gz WPBSTQDQGOTYSK-YLBKJLTLSA-N -1 3 386.326 3.879 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1ccccc1 ZINC001230886652 1034271882 /nfs/dbraw/zinc/27/18/82/1034271882.db2.gz RQWPJLIEXJTAPC-KRWDZBQOSA-N -1 3 385.851 3.977 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)c1ccc(C(=O)OC)cc1 ZINC001231089974 1034391897 /nfs/dbraw/zinc/39/18/97/1034391897.db2.gz BMNRXXORLBSTGW-JTQLQIEISA-N -1 3 379.796 3.544 20 0 GHADHM CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063152 1034407821 /nfs/dbraw/zinc/40/78/21/1034407821.db2.gz GHBWRRCALKSBMQ-XHDPSFHLSA-N -1 3 376.457 3.537 20 0 GHADHM [O-]c1cc(Br)c(O[C@H]2CCc3nccn3C2)cc1Br ZINC001231238234 1034478178 /nfs/dbraw/zinc/47/81/78/1034478178.db2.gz FBQUPDFFYXIBGQ-QMMMGPOBSA-N -1 3 388.059 3.508 20 0 GHADHM O=C([O-])c1ccc(CN2CCCN(c3ncccc3C(F)(F)F)CC2)s1 ZINC001231464752 1034610028 /nfs/dbraw/zinc/61/00/28/1034610028.db2.gz RBFLUKBEKAMBGY-UHFFFAOYSA-N -1 3 385.411 3.572 20 0 GHADHM COc1cccc(CN2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)c1 ZINC001231523107 1034675182 /nfs/dbraw/zinc/67/51/82/1034675182.db2.gz PHIYGSXTWOXKOU-UHFFFAOYSA-N -1 3 380.410 3.737 20 0 GHADHM [O-]c1ccc(CN2CCN(c3noc4ccccc43)CC2)cc1C(F)(F)F ZINC001231523630 1034675738 /nfs/dbraw/zinc/67/57/38/1034675738.db2.gz HNRLJGRQRSQMPO-UHFFFAOYSA-N -1 3 377.366 3.874 20 0 GHADHM O=C(NC1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC001231527876 1034680994 /nfs/dbraw/zinc/68/09/94/1034680994.db2.gz UKDWUYBHFPYJJN-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM CCOC(=O)C[C@H]1CC[C@H](NC(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1 ZINC001159605663 1034686844 /nfs/dbraw/zinc/68/68/44/1034686844.db2.gz MDYFHTXHYBMLRH-MGCOHNPYSA-N -1 3 379.860 3.570 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CCCN(C(=O)C2CCC2)CC1 ZINC001231677274 1034829226 /nfs/dbraw/zinc/82/92/26/1034829226.db2.gz CXLBZIQGCKFKFS-UHFFFAOYSA-N -1 3 392.499 3.886 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Br)c3)CCC2)o1 ZINC001208476798 1034909715 /nfs/dbraw/zinc/90/97/15/1034909715.db2.gz JGRYMGBZUFQDRR-UHFFFAOYSA-N -1 3 384.295 3.751 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1nccn1-c1ccccc1 ZINC001160259323 1034921454 /nfs/dbraw/zinc/92/14/54/1034921454.db2.gz NRUSFQXSSBMJBE-GFCCVEGCSA-N -1 3 386.249 3.831 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccc(Cl)c(Cl)c1 ZINC001208724378 1034991499 /nfs/dbraw/zinc/99/14/99/1034991499.db2.gz YFTMFLVJIHTCOL-UHFFFAOYSA-N -1 3 381.231 3.880 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3C[C@@]3(C)C(C)C)cs2)c1 ZINC001161141653 1035157051 /nfs/dbraw/zinc/15/70/51/1035157051.db2.gz DIYRWUBHMNWGEA-UZLBHIALSA-N -1 3 387.505 3.503 20 0 GHADHM CN(C[C@@H]1CCCN1Cc1cccc([O-])c1Br)C(=O)OC(C)(C)C ZINC001461944906 1069907068 /nfs/dbraw/zinc/90/70/68/1069907068.db2.gz XJZHDOAEZFBVBY-AWEZNQCLSA-N -1 3 399.329 3.986 20 0 GHADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001209194366 1035206218 /nfs/dbraw/zinc/20/62/18/1035206218.db2.gz IAYFMVKTLCZJJR-AWEZNQCLSA-N -1 3 383.311 3.534 20 0 GHADHM CCc1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)nn1C ZINC001161487612 1035239866 /nfs/dbraw/zinc/23/98/66/1035239866.db2.gz SNAQUGIQTDOPKA-UHFFFAOYSA-N -1 3 388.427 3.869 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccccn1 ZINC001209342306 1035246430 /nfs/dbraw/zinc/24/64/30/1035246430.db2.gz CXNOMVVRCRUXRP-LBPRGKRZSA-N -1 3 393.818 3.969 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(N2CCOC2=O)ccc1F ZINC000057122274 1035300560 /nfs/dbraw/zinc/30/05/60/1035300560.db2.gz NPYSIESRZXPBJQ-UHFFFAOYSA-N -1 3 384.816 3.545 20 0 GHADHM COc1cc(Br)ccc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248142407 1035562285 /nfs/dbraw/zinc/56/22/85/1035562285.db2.gz NPSKITYIZYLURI-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=C(NCc1nc(-c2cccc(C(F)(F)F)c2F)no1)c1ccccc1[O-] ZINC001248499588 1035917990 /nfs/dbraw/zinc/91/79/90/1035917990.db2.gz IEHGOYXUQPDBLJ-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM COc1cc2c(cc1-c1noc(C(=O)[N-]c3ccc(Cl)cn3)n1)CCCC2=O ZINC001247264337 1038042781 /nfs/dbraw/zinc/04/27/81/1038042781.db2.gz JUQJFNSUMVAQRD-UHFFFAOYSA-N -1 3 398.806 3.565 20 0 GHADHM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(Cl)c([O-])c1Cl)C2 ZINC001232629259 1038416685 /nfs/dbraw/zinc/41/66/85/1038416685.db2.gz XOFKPYFHDIEOCD-UHFFFAOYSA-N -1 3 383.323 3.752 20 0 GHADHM [O-]c1c(F)cc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1Br ZINC001232633145 1038419447 /nfs/dbraw/zinc/41/94/47/1038419447.db2.gz GGFFEBKIHRSKSG-HOTGVXAUSA-N -1 3 391.284 3.753 20 0 GHADHM CC(C)(C)OC(=O)N1CCOC2(CCN(Cc3cccc([O-])c3Cl)CC2)C1 ZINC001232783787 1038551571 /nfs/dbraw/zinc/55/15/71/1038551571.db2.gz BYBNBKPOATWTKW-UHFFFAOYSA-N -1 3 396.915 3.648 20 0 GHADHM CCCNC(=O)c1ccc(O[C@H]2CCN(Cc3cccc([O-])c3Cl)C2)cc1 ZINC001232789779 1038556315 /nfs/dbraw/zinc/55/63/15/1038556315.db2.gz SKZUOPBNSIKAEZ-SFHVURJKSA-N -1 3 388.895 3.839 20 0 GHADHM CN1C[C@H](c2ccccc2)C2(CCN(Cc3cc([O-])c(F)c(F)c3)CC2)C1=O ZINC001232969868 1038742432 /nfs/dbraw/zinc/74/24/32/1038742432.db2.gz JWECPPOXFFETKK-QGZVFWFLSA-N -1 3 386.442 3.508 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233032041 1038786377 /nfs/dbraw/zinc/78/63/77/1038786377.db2.gz CRLFESCDLRVVKT-LJQANCHMSA-N -1 3 381.904 3.664 20 0 GHADHM O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2cccc([O-])c2F)CC1 ZINC001233054492 1038815269 /nfs/dbraw/zinc/81/52/69/1038815269.db2.gz OOAGPMHVKHGYJP-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC001252237316 1038912077 /nfs/dbraw/zinc/91/20/77/1038912077.db2.gz JTQMTMKNHNVUGW-QGZVFWFLSA-N -1 3 381.398 3.956 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC001252248511 1038914641 /nfs/dbraw/zinc/91/46/41/1038914641.db2.gz QOJXXDHLLMHTCZ-UHFFFAOYSA-N -1 3 377.444 3.779 20 0 GHADHM [O-]c1ccc(F)c(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1F ZINC001233394383 1039227805 /nfs/dbraw/zinc/22/78/05/1039227805.db2.gz LOPOOOYTJIPXSC-RXVVDRJESA-N -1 3 390.430 3.516 20 0 GHADHM CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233394800 1039228573 /nfs/dbraw/zinc/22/85/73/1039228573.db2.gz ADJQCFSRNICHEE-UHFFFAOYSA-N -1 3 399.441 3.849 20 0 GHADHM O=C1OC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)c2ccc(Cl)cc21 ZINC001233396662 1039229817 /nfs/dbraw/zinc/22/98/17/1039229817.db2.gz OLRWUJSRZODRJH-UHFFFAOYSA-N -1 3 379.790 3.986 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)C[C@H]1C(F)(F)F ZINC001233397009 1039233398 /nfs/dbraw/zinc/23/33/98/1039233398.db2.gz HLACQACAWFGTCX-ZDUSSCGKSA-N -1 3 396.356 3.654 20 0 GHADHM COc1ccc(CN2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(Cl)c1[O-] ZINC001233401444 1039242987 /nfs/dbraw/zinc/24/29/87/1039242987.db2.gz ZWDDZCFSQKOOKJ-HIFRSBDPSA-N -1 3 396.915 3.886 20 0 GHADHM COC(=O)[C@H](Cc1ccc2ccccc2c1)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001253089428 1039414831 /nfs/dbraw/zinc/41/48/31/1039414831.db2.gz FUAMXZJSCLOXNF-ARKBFRDHSA-N -1 3 395.480 3.514 20 0 GHADHM Cc1ccc(OC[C@H](O)CNc2c([O-])c(Br)ccc2Cl)cc1 ZINC001253837642 1039844994 /nfs/dbraw/zinc/84/49/94/1039844994.db2.gz KJWOHEGVXCZWAC-LLVKDONJSA-N -1 3 386.673 3.968 20 0 GHADHM CC(C)Oc1ccc(COc2cccc([O-])c2C(N)=O)cc1Br ZINC001234152969 1039891704 /nfs/dbraw/zinc/89/17/04/1039891704.db2.gz KQWMLBIUXGLJNM-UHFFFAOYSA-N -1 3 380.238 3.620 20 0 GHADHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC001254160298 1040013785 /nfs/dbraw/zinc/01/37/85/1040013785.db2.gz JJGNGPMWQQRVHI-UHFFFAOYSA-N -1 3 375.490 3.827 20 0 GHADHM CC(C)N1CC[C@@H](Oc2cc(-c3cc(=O)c4ccc([O-])cc4o3)ccc2O)C1 ZINC001234497202 1040081259 /nfs/dbraw/zinc/08/12/59/1040081259.db2.gz SFWHWIJZSCLFLS-MRXNPFEDSA-N -1 3 381.428 3.733 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1OC[C@H]1Cc2ccccc2O1 ZINC001234606416 1040162961 /nfs/dbraw/zinc/16/29/61/1040162961.db2.gz BLVBQXYOTADMIA-GFCCVEGCSA-N -1 3 393.233 3.714 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC001254941262 1040680200 /nfs/dbraw/zinc/68/02/00/1040680200.db2.gz GBAFLQCLSMIPEA-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC001254967328 1040696602 /nfs/dbraw/zinc/69/66/02/1040696602.db2.gz ICWNCPSDUITWLU-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)cc1 ZINC001255022403 1040732784 /nfs/dbraw/zinc/73/27/84/1040732784.db2.gz DLTCCHPNAVCQQF-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c4ccccc4nn3C)nc(=O)c2c1C ZINC001255123386 1040815316 /nfs/dbraw/zinc/81/53/16/1040815316.db2.gz IDKCPOWBTFJKJV-JTQLQIEISA-N -1 3 382.445 3.818 20 0 GHADHM O=c1cc(-c2nnc([C@@H]3CCN(Cc4ccccc4)C3)o2)[n-]c2ccc(F)cc12 ZINC001255395353 1040983053 /nfs/dbraw/zinc/98/30/53/1040983053.db2.gz DSCBTOVMGGBJSE-OAHLLOKOSA-N -1 3 390.418 3.707 20 0 GHADHM [O-]c1cc(CN2CCN[C@H](c3cccc(Br)c3)C2)cc(F)c1F ZINC001235796689 1041298344 /nfs/dbraw/zinc/29/83/44/1041298344.db2.gz CNVGYYDXWANYCN-HNNXBMFYSA-N -1 3 383.236 3.579 20 0 GHADHM CCOC(=O)CC1CCN(c2ccc(-c3cc([O-])cc(Cl)c3)nn2)CC1 ZINC001235901147 1041420422 /nfs/dbraw/zinc/42/04/22/1041420422.db2.gz RYDISCAOOVWHPG-UHFFFAOYSA-N -1 3 375.856 3.672 20 0 GHADHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3ccc(F)cc3F)cs2)c1 ZINC001256126118 1041556980 /nfs/dbraw/zinc/55/69/80/1041556980.db2.gz RNODTBIWKXMRNW-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001256125684 1041557099 /nfs/dbraw/zinc/55/70/99/1041557099.db2.gz OJKKRMKSEHETAX-TZMCWYRMSA-N -1 3 388.233 3.562 20 0 GHADHM COC(=O)Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)ccc1C ZINC001256206041 1041648042 /nfs/dbraw/zinc/64/80/42/1041648042.db2.gz LGMPDXKTWFPMMH-UHFFFAOYSA-N -1 3 381.881 3.782 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2Cl)c(Br)n1 ZINC001256247143 1041673474 /nfs/dbraw/zinc/67/34/74/1041673474.db2.gz ZQMQTGRQQPGAPB-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CS(=O)(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1Cl ZINC001256293893 1041687389 /nfs/dbraw/zinc/68/73/89/1041687389.db2.gz VLCDMOABQHKJOH-UHFFFAOYSA-N -1 3 375.833 3.855 20 0 GHADHM COC(=O)[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)[C@H]1c1ccccc1 ZINC001236682468 1041828115 /nfs/dbraw/zinc/82/81/15/1041828115.db2.gz ATSZVBYRPIHWEV-QAPCUYQASA-N -1 3 390.277 3.891 20 0 GHADHM CCOC[C@H]1CN(Cc2ccc(Br)c([O-])c2)Cc2c1cnn2CC ZINC001236683149 1041828872 /nfs/dbraw/zinc/82/88/72/1041828872.db2.gz HGAUYXYJFHQMIG-CQSZACIVSA-N -1 3 394.313 3.507 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([O-])c1 ZINC001236693547 1041835590 /nfs/dbraw/zinc/83/55/90/1041835590.db2.gz ZFSHTWDSUOSKMH-CYBMUJFWSA-N -1 3 399.329 3.986 20 0 GHADHM COC(CN(Cc1ccccc1)Cc1ccc(Br)c([O-])c1)OC ZINC001236693439 1041835658 /nfs/dbraw/zinc/83/56/58/1041835658.db2.gz YFBGYIMRVFTWLK-UHFFFAOYSA-N -1 3 380.282 3.776 20 0 GHADHM Cc1cccnc1O[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236695850 1041836791 /nfs/dbraw/zinc/83/67/91/1041836791.db2.gz PKNPFIGTGXFSPI-HNNXBMFYSA-N -1 3 377.282 3.902 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236695412 1041837067 /nfs/dbraw/zinc/83/70/67/1041837067.db2.gz LKRRRKMSDOGHND-GOSISDBHSA-N -1 3 399.329 3.891 20 0 GHADHM Cc1cccc(O[C@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)n1 ZINC001236695899 1041838163 /nfs/dbraw/zinc/83/81/63/1041838163.db2.gz PXBWWVBBTXUBAZ-HNNXBMFYSA-N -1 3 377.282 3.902 20 0 GHADHM [O-]c1cc(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)ccc1F ZINC001236701109 1041840661 /nfs/dbraw/zinc/84/06/61/1041840661.db2.gz IHCPSXBRWPYGHM-PGRDOPGGSA-N -1 3 386.467 3.514 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3cccc(Br)c3)CC2)s1 ZINC001237152516 1042066484 /nfs/dbraw/zinc/06/64/84/1042066484.db2.gz ZPCSCFFJAWIDAE-UHFFFAOYSA-N -1 3 388.718 3.587 20 0 GHADHM FC(F)(F)c1ccc(N2CCN(Cc3occc3[S-])CC2)nc1Cl ZINC001237179404 1042080723 /nfs/dbraw/zinc/08/07/23/1042080723.db2.gz QIEZTEMAESMRQU-UHFFFAOYSA-N -1 3 377.819 3.958 20 0 GHADHM O=C1N[C@H](c2ccccc2)C12CCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001237523352 1042249262 /nfs/dbraw/zinc/24/92/62/1042249262.db2.gz SOENTOMPFFXFPM-MRXNPFEDSA-N -1 3 392.286 3.547 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CNC2)c1cc(Br)c(Cl)s1 ZINC001237602508 1042278045 /nfs/dbraw/zinc/27/80/45/1042278045.db2.gz ATSRZDFVWXHKRF-UHFFFAOYSA-N -1 3 393.715 3.568 20 0 GHADHM CCOC(=O)c1cnn2ccc(NCc3cc(Cl)c([O-])c(OCC)c3)cc12 ZINC001462605725 1070409043 /nfs/dbraw/zinc/40/90/43/1070409043.db2.gz WJXQFFVDIOEVSE-UHFFFAOYSA-N -1 3 389.839 3.881 20 0 GHADHM Cc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001237910997 1042419046 /nfs/dbraw/zinc/41/90/46/1042419046.db2.gz HNFDRGREQCAHAW-UHFFFAOYSA-N -1 3 380.775 3.930 20 0 GHADHM [O-]c1c(F)cc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001237991633 1042446736 /nfs/dbraw/zinc/44/67/36/1042446736.db2.gz KINOZUUEJSZLQX-DOTOQJQBSA-N -1 3 394.849 3.661 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001238137541 1042501154 /nfs/dbraw/zinc/50/11/54/1042501154.db2.gz WDUXPAMQSRZWNA-QXAKKESOSA-N -1 3 384.501 3.989 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238245200 1042530317 /nfs/dbraw/zinc/53/03/17/1042530317.db2.gz NRVDIOKDWJMYQG-HXUWFJFHSA-N -1 3 380.460 3.651 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCNc2ccccc21)c1cc(Br)ccc1F ZINC001238801639 1042734889 /nfs/dbraw/zinc/73/48/89/1042734889.db2.gz UTVZFOYZQQVNMO-OAHLLOKOSA-N -1 3 399.285 3.814 20 0 GHADHM Cc1ccc(-c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC001241035924 1042970907 /nfs/dbraw/zinc/97/09/07/1042970907.db2.gz KBAYEFXYJVLTLQ-UHFFFAOYSA-N -1 3 387.483 3.721 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)COC1)c1ccc(Cl)s1 ZINC001256526748 1043455315 /nfs/dbraw/zinc/45/53/15/1043455315.db2.gz ARWYIKPLFZYXNK-UHFFFAOYSA-N -1 3 397.827 3.624 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1F)C1CCOCC1)c1ccc(Cl)s1 ZINC001256541811 1043494331 /nfs/dbraw/zinc/49/43/31/1043494331.db2.gz QGGLDPXOHYYZBA-MRXNPFEDSA-N -1 3 389.901 3.987 20 0 GHADHM [O-]c1c(F)ccc(CN2CCCC3(CN(CCCC(F)(F)F)C3)C2)c1F ZINC001278952342 1043586220 /nfs/dbraw/zinc/58/62/20/1043586220.db2.gz PEUFOSZMXPFMLP-UHFFFAOYSA-N -1 3 378.385 3.911 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001292551523 1043783486 /nfs/dbraw/zinc/78/34/86/1043783486.db2.gz DQFXYANRAJFZJQ-UHFFFAOYSA-N -1 3 386.398 3.959 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ncon2)cc1)c1cccc(Cl)c1Cl ZINC001257284477 1043955923 /nfs/dbraw/zinc/95/59/23/1043955923.db2.gz IHUGMZXKTWNLKM-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM CCOC(=O)C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001257293911 1043959557 /nfs/dbraw/zinc/95/95/57/1043959557.db2.gz UYLXVRRLWYVCTL-HAQNSBGRSA-N -1 3 394.320 3.784 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(F)c1)C1CC1)c1cccc(Cl)c1Cl ZINC001257300341 1043960608 /nfs/dbraw/zinc/96/06/08/1043960608.db2.gz HRRLXNUWILQKKR-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2cccn2)c1)c1c(Cl)cccc1Cl ZINC001257770737 1044161890 /nfs/dbraw/zinc/16/18/90/1044161890.db2.gz SBNKCRIYQYHXII-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM COc1cccc2c1CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC001257776059 1044165805 /nfs/dbraw/zinc/16/58/05/1044165805.db2.gz WYXIQZBDEFPPBI-LBPRGKRZSA-N -1 3 386.300 3.838 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(F)c1)C1CC1)c1c(Cl)cccc1Cl ZINC001257791350 1044174290 /nfs/dbraw/zinc/17/42/90/1044174290.db2.gz ROHYUPFAUWXQTH-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cn1 ZINC001257791481 1044175574 /nfs/dbraw/zinc/17/55/74/1044175574.db2.gz WOJMJEIYWFVMTE-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC001462813376 1070564763 /nfs/dbraw/zinc/56/47/63/1070564763.db2.gz BZDAZKNPDKRSQH-GJZGRUSLSA-N -1 3 385.501 3.804 20 0 GHADHM O=S(=O)([N-]c1ncc(O)cc1Br)c1ccc(Cl)cc1Cl ZINC001258833450 1044778451 /nfs/dbraw/zinc/77/84/51/1044778451.db2.gz SXSFQJDIVGRKHW-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2Cl)COC1)c1ccc(Cl)cc1Cl ZINC001258906186 1044861810 /nfs/dbraw/zinc/86/18/10/1044861810.db2.gz SLVCPZABIMPDDY-UHFFFAOYSA-N -1 3 392.691 3.851 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)cc2s1 ZINC001258985572 1044918064 /nfs/dbraw/zinc/91/80/64/1044918064.db2.gz VDRQTFBBXYCHKK-KZULUSFZSA-N -1 3 378.519 3.742 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2 ZINC001259051056 1044937507 /nfs/dbraw/zinc/93/75/07/1044937507.db2.gz BHYJLFNIMBADHZ-HXUWFJFHSA-N -1 3 378.453 3.634 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1F)c1ccc(Br)s1 ZINC001259058894 1044941430 /nfs/dbraw/zinc/94/14/30/1044941430.db2.gz IYRMUTXZCHGNRS-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccncc1 ZINC001259073945 1044948529 /nfs/dbraw/zinc/94/85/29/1044948529.db2.gz VICBCRWPTAJDMT-LJQANCHMSA-N -1 3 392.402 3.875 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)c(F)c1F)c1ccc(F)c(F)c1 ZINC001259090902 1044956260 /nfs/dbraw/zinc/95/62/60/1044956260.db2.gz DSZBBNNDDAJHPR-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)cc1Cl ZINC001259137011 1044977951 /nfs/dbraw/zinc/97/79/51/1044977951.db2.gz FCCGYAQDFDVBON-CQSZACIVSA-N -1 3 379.787 3.936 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1F)c1cccc2cnccc21 ZINC001259157284 1044982520 /nfs/dbraw/zinc/98/25/20/1044982520.db2.gz UPIGQYKMWMUYAC-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@H]2CCCO2)cc1C ZINC001259168392 1044989559 /nfs/dbraw/zinc/98/95/59/1044989559.db2.gz ZSBATHRCPZUOOB-OAHLLOKOSA-N -1 3 379.453 3.801 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)cc1 ZINC001259171774 1044990951 /nfs/dbraw/zinc/99/09/51/1044990951.db2.gz IHBVKONRLOEXSC-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2Br)cc1 ZINC001259171554 1044991348 /nfs/dbraw/zinc/99/13/48/1044991348.db2.gz AXBIPWYRIBCALX-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(Cl)c1 ZINC001259177436 1044993724 /nfs/dbraw/zinc/99/37/24/1044993724.db2.gz YQXGXJQLEDUCNL-UHFFFAOYSA-N -1 3 381.837 3.520 20 0 GHADHM O=C(N[C@H](CO)c1c(F)cccc1F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001295511692 1045038480 /nfs/dbraw/zinc/03/84/80/1045038480.db2.gz BEVCQVNPKMMLEX-HXUWFJFHSA-N -1 3 397.421 3.919 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1)C(=O)OCc1ccccc1 ZINC001259266793 1045054317 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GHADHM O=S(=O)([N-]Cc1cccc(Br)c1F)c1cccc(Cl)c1F ZINC001259463209 1045177753 /nfs/dbraw/zinc/17/77/53/1045177753.db2.gz ACGWBFOTESOMQY-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1F ZINC001259472103 1045184709 /nfs/dbraw/zinc/18/47/09/1045184709.db2.gz IENBTSMYQFLMDJ-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001295912239 1045185762 /nfs/dbraw/zinc/18/57/62/1045185762.db2.gz DHWZTLPAAZNPMW-MDZDMXLPSA-N -1 3 394.431 3.575 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001295912239 1045185772 /nfs/dbraw/zinc/18/57/72/1045185772.db2.gz DHWZTLPAAZNPMW-MDZDMXLPSA-N -1 3 394.431 3.575 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2ncc(-c3cnn(C)c3)cc2c1 ZINC001259489643 1045198031 /nfs/dbraw/zinc/19/80/31/1045198031.db2.gz NFJLENLXSWRRFP-UHFFFAOYSA-N -1 3 396.447 3.884 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F ZINC001259513578 1045216158 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CCc1cc2c(CN[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)cc(=O)oc2cc1[O-] ZINC001307614298 1049451865 /nfs/dbraw/zinc/45/18/65/1049451865.db2.gz DULXLFRWJOUKDL-RBZFPXEDSA-N -1 3 389.492 3.907 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@H]3CCCC3(C)C)[n-]c2c(Br)c1 ZINC001289667986 1049582567 /nfs/dbraw/zinc/58/25/67/1049582567.db2.gz JTAQHOULJJOOPF-SNVBAGLBSA-N -1 3 394.269 3.877 20 0 GHADHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(OCC(F)(F)F)cc1 ZINC001307880766 1049663176 /nfs/dbraw/zinc/66/31/76/1049663176.db2.gz AUMRBYSUNGDCIP-FZMZJTMJSA-N -1 3 398.347 3.659 20 0 GHADHM CC(C)NC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001290502702 1049860814 /nfs/dbraw/zinc/86/08/14/1049860814.db2.gz RFPFLUBFIDGDFR-UHFFFAOYSA-N -1 3 398.850 3.964 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001290520157 1049868034 /nfs/dbraw/zinc/86/80/34/1049868034.db2.gz NHLVZJNHWYSRLI-UHFFFAOYSA-N -1 3 392.430 3.951 20 0 GHADHM C[C@@H]1CC(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3[O-])cc2N1 ZINC001290874806 1049942108 /nfs/dbraw/zinc/94/21/08/1049942108.db2.gz BTIQHUHYJOLNDJ-SECBINFHSA-N -1 3 390.237 3.550 20 0 GHADHM CC(C)N(CC(=O)Nc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC001290876745 1049942807 /nfs/dbraw/zinc/94/28/07/1049942807.db2.gz YFBQKGSSIFIZLS-UHFFFAOYSA-N -1 3 387.274 3.739 20 0 GHADHM CCCNC(=O)c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001290897353 1049947505 /nfs/dbraw/zinc/94/75/05/1049947505.db2.gz JKIWQCVOSUELJR-UHFFFAOYSA-N -1 3 383.835 3.574 20 0 GHADHM C[C@@H](NCc1cnn(Cc2ccccc2)c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001308955132 1050214518 /nfs/dbraw/zinc/21/45/18/1050214518.db2.gz NFBCEIAKMGDNKS-SNVBAGLBSA-N -1 3 384.793 3.573 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)c(F)cc1Br ZINC001309005749 1050265549 /nfs/dbraw/zinc/26/55/49/1050265549.db2.gz QGIOCHSGINAJLA-OLUVUFQESA-N -1 3 378.307 4.000 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N1CCc2ccccc2C1 ZINC001309102616 1050356079 /nfs/dbraw/zinc/35/60/79/1050356079.db2.gz GVNVDOJWIODNJI-UHFFFAOYSA-N -1 3 396.915 3.594 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCCC3)c2)c(F)c1F ZINC001309125008 1050381349 /nfs/dbraw/zinc/38/13/49/1050381349.db2.gz KOLNURBLTHWDLJ-UHFFFAOYSA-N -1 3 396.459 3.858 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1cccc(C(F)(F)F)c1 ZINC001309142903 1050397496 /nfs/dbraw/zinc/39/74/96/1050397496.db2.gz UZJUWBAHUTWXRS-GFCCVEGCSA-N -1 3 394.440 3.990 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1ccccc1F ZINC001309245605 1050514335 /nfs/dbraw/zinc/51/43/35/1050514335.db2.gz SJHLRTSOTOQEIS-XJKSGUPXSA-N -1 3 392.279 3.923 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)c1ccc(Cl)cc1 ZINC001309257351 1050527616 /nfs/dbraw/zinc/52/76/16/1050527616.db2.gz MJAHQAVYVKTSOL-ZDUSSCGKSA-N -1 3 379.334 3.636 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC(C)(C)CCc2ccccc21 ZINC001309432709 1050715369 /nfs/dbraw/zinc/71/53/69/1050715369.db2.gz CVIVTWMTXSNFKX-OAHLLOKOSA-N -1 3 381.929 3.764 20 0 GHADHM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1occc1Br ZINC001309440679 1050721228 /nfs/dbraw/zinc/72/12/28/1050721228.db2.gz DSHMWIOQCSXJCG-VIFPVBQESA-N -1 3 376.297 3.804 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cnc(Cl)c(F)c1 ZINC001309454976 1050731266 /nfs/dbraw/zinc/73/12/66/1050731266.db2.gz IZVDRUNZOHFMCC-UMSPYCQHSA-N -1 3 375.252 3.752 20 0 GHADHM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001309456719 1050734077 /nfs/dbraw/zinc/73/40/77/1050734077.db2.gz KOWRGCOOQRIIKC-AWEZNQCLSA-N -1 3 388.514 3.728 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@@H]1CC1(C)C ZINC001309599186 1050850309 /nfs/dbraw/zinc/85/03/09/1050850309.db2.gz BSRSCJAQHIDTMU-GWCFXTLKSA-N -1 3 378.307 4.000 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)[C@H]1CCCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC001309633197 1050881518 /nfs/dbraw/zinc/88/15/18/1050881518.db2.gz LHFDXIHQUGQBQO-HIFRSBDPSA-N -1 3 397.846 3.985 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC001309760147 1050959490 /nfs/dbraw/zinc/95/94/90/1050959490.db2.gz BZAWHJWNIWKACC-YMTOWFKASA-N -1 3 394.718 3.722 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2CC[C@H]1F)c1cscc1Br ZINC001309796441 1050977841 /nfs/dbraw/zinc/97/78/41/1050977841.db2.gz HRPYMTBITVAHKV-OCCSQVGLSA-N -1 3 390.299 3.815 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)(F)F)c2)s1 ZINC001309825489 1050992599 /nfs/dbraw/zinc/99/25/99/1050992599.db2.gz ROKDBMLDCYWKGV-VIFPVBQESA-N -1 3 380.413 3.644 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@H]1CCC(F)(F)C1 ZINC001309935660 1051056050 /nfs/dbraw/zinc/05/60/50/1051056050.db2.gz DXFZITPSINGDMR-SECBINFHSA-N -1 3 388.299 3.923 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Cl)c1-n1cccn1)c1nc(C(F)(F)F)n[n-]1 ZINC001310150255 1051191994 /nfs/dbraw/zinc/19/19/94/1051191994.db2.gz RFHGRLBVXVVMMZ-MRVPVSSYSA-N -1 3 399.764 3.545 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC001331221309 1051216682 /nfs/dbraw/zinc/21/66/82/1051216682.db2.gz SNGQJEXHIASARZ-LJQANCHMSA-N -1 3 377.893 3.891 20 0 GHADHM CCCCC1CCC(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001332052087 1051446833 /nfs/dbraw/zinc/44/68/33/1051446833.db2.gz FFLAHDGHJRIZMH-UHFFFAOYSA-N -1 3 384.517 3.810 20 0 GHADHM O=C(CC1CC(F)(F)C1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001333517542 1051762581 /nfs/dbraw/zinc/76/25/81/1051762581.db2.gz BCMLITPPQJETOO-LBPRGKRZSA-N -1 3 390.352 3.621 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cn(CC)cn3)nc(=O)c2c1C ZINC001333912432 1051866038 /nfs/dbraw/zinc/86/60/38/1051866038.db2.gz GBKQAYSMOOXDQD-IZZDOVSWSA-N -1 3 392.868 3.835 20 0 GHADHM O=C([O-])c1cccc2c1OCCN(CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001334763942 1051975053 /nfs/dbraw/zinc/97/50/53/1051975053.db2.gz UXDSNAQEKHXRAP-UHFFFAOYSA-N -1 3 381.350 3.721 20 0 GHADHM O=C([O-])[C@]1(F)CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC12CCC2 ZINC001334795460 1051980262 /nfs/dbraw/zinc/98/02/62/1051980262.db2.gz YTCDFPMQTNQAAL-GOSISDBHSA-N -1 3 397.372 3.670 20 0 GHADHM O=C([O-])[C@@H]1CN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1c1ccc(F)cc1F ZINC001335274764 1052062910 /nfs/dbraw/zinc/06/29/10/1052062910.db2.gz QSYHJGUBTMBHLQ-ZIEJDFEHSA-N -1 3 393.352 3.565 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC001312071623 1052557705 /nfs/dbraw/zinc/55/77/05/1052557705.db2.gz JFNWHKKYIXJKDR-LLVKDONJSA-N -1 3 381.245 3.897 20 0 GHADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)Cc2ccccc21 ZINC001312298070 1052683510 /nfs/dbraw/zinc/68/35/10/1052683510.db2.gz ZBPGSYZYMOKJIC-LBPRGKRZSA-N -1 3 375.266 3.984 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001343543738 1053859934 /nfs/dbraw/zinc/85/99/34/1053859934.db2.gz MGCKGOPHZVKPFG-CYBMUJFWSA-N -1 3 398.536 3.731 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC001317861251 1054282800 /nfs/dbraw/zinc/28/28/00/1054282800.db2.gz IGXAJUUTABEJKD-UHFFFAOYSA-N -1 3 399.491 3.852 20 0 GHADHM Cc1nc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CC(C)C)cc(=O)[n-]1 ZINC001344496925 1054521946 /nfs/dbraw/zinc/52/19/46/1054521946.db2.gz BKSLTZPJYZRIRK-UHFFFAOYSA-N -1 3 398.433 3.574 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@@H](c4ccccc4)C[C@@H]3C)n2CC(C)C)cc(=O)[n-]1 ZINC001344501977 1054527062 /nfs/dbraw/zinc/52/70/62/1054527062.db2.gz XFUKZFMDWGDOCB-YJBOKZPZSA-N -1 3 392.507 3.788 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC001318557468 1054716678 /nfs/dbraw/zinc/71/66/78/1054716678.db2.gz SWNNOTNJCVFHDW-OAQYLSRUSA-N -1 3 376.412 3.591 20 0 GHADHM CC[C@@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001344901400 1054793155 /nfs/dbraw/zinc/79/31/55/1054793155.db2.gz SJJHJKUCXUEVGF-CQSZACIVSA-N -1 3 384.509 3.628 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@H]3CCc4ccccc43)n2CC(C)C)cc(=O)[n-]1 ZINC001345132438 1054916269 /nfs/dbraw/zinc/91/62/69/1054916269.db2.gz MSDKZGCDLZYTHS-SFHVURJKSA-N -1 3 378.480 3.529 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cnc(-c3ccccc3)s2)cc1F ZINC001319170591 1055076461 /nfs/dbraw/zinc/07/64/61/1055076461.db2.gz WWLPGJVXBYAOIB-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)CCC2 ZINC001319926932 1055546572 /nfs/dbraw/zinc/54/65/72/1055546572.db2.gz FQOHZCUESWWJRB-SNVBAGLBSA-N -1 3 378.306 3.509 20 0 GHADHM CCS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)s1 ZINC001321045140 1056069033 /nfs/dbraw/zinc/06/90/33/1056069033.db2.gz YBBICBUIBQGIHB-UHFFFAOYSA-N -1 3 393.864 3.603 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2F)ccc1F ZINC001200550683 1056300418 /nfs/dbraw/zinc/30/04/18/1056300418.db2.gz CTNYBFMAEJEQJR-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nc4cc(Cl)cc(Cl)c4o3)C2)n1 ZINC001354255966 1056475312 /nfs/dbraw/zinc/47/53/12/1056475312.db2.gz HPBYBSRYCKWJDK-JTQLQIEISA-N -1 3 380.235 3.629 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)c(Cl)c1 ZINC001322053448 1056493351 /nfs/dbraw/zinc/49/33/51/1056493351.db2.gz YZNVQBZFENUKCD-UHFFFAOYSA-N -1 3 394.836 3.685 20 0 GHADHM Cn1nc(C2CC2)cc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001354278713 1056496223 /nfs/dbraw/zinc/49/62/23/1056496223.db2.gz UVBYTYUECPOYOM-UHFFFAOYSA-N -1 3 382.489 3.710 20 0 GHADHM O=C1OCCN1c1ccc(F)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC001322422141 1056695034 /nfs/dbraw/zinc/69/50/34/1056695034.db2.gz CNHHTBPDNMOWEC-UHFFFAOYSA-N -1 3 386.404 3.736 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)nc1C1CC1 ZINC001354863917 1056966823 /nfs/dbraw/zinc/96/68/23/1056966823.db2.gz ZAGPYAMYRLTFLF-UHFFFAOYSA-N -1 3 383.376 3.862 20 0 GHADHM Cc1ccc(OCCC(=O)Nc2n[n-]c(-c3ccco3)n2)c(Br)c1 ZINC001355035214 1057027392 /nfs/dbraw/zinc/02/73/92/1057027392.db2.gz WDUXQYLVGQSYGC-UHFFFAOYSA-N -1 3 391.225 3.543 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)OC(F)(F)O4)c2)n1 ZINC001355460397 1057169545 /nfs/dbraw/zinc/16/95/45/1057169545.db2.gz CFUGJAOOTXXLKR-UHFFFAOYSA-N -1 3 399.353 3.985 20 0 GHADHM CCc1ccccc1NC(=O)CN(C)Cc1cccc([O-])c1Br ZINC001325008564 1057262432 /nfs/dbraw/zinc/26/24/32/1057262432.db2.gz RFULCRVJUVILQX-UHFFFAOYSA-N -1 3 377.282 3.788 20 0 GHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nnc(CC(C)(C)C)o1 ZINC001326237411 1057439744 /nfs/dbraw/zinc/43/97/44/1057439744.db2.gz FWCIYIZKROYFKK-OAHLLOKOSA-N -1 3 397.566 3.739 20 0 GHADHM C[C@H]1Cc2c(sc([N-]C(=O)c3cnsn3)c2C(=O)OC(C)(C)C)[C@H](C)O1 ZINC001327088118 1057595981 /nfs/dbraw/zinc/59/59/81/1057595981.db2.gz NTRDCCFQCVADBB-IUCAKERBSA-N -1 3 395.506 3.829 20 0 GHADHM O=C([N-][C@@H]1CCc2cc(F)ccc21)C(F)(F)c1ncccc1Br ZINC001439861637 1058325617 /nfs/dbraw/zinc/32/56/17/1058325617.db2.gz GHDUGFCGGYXKBY-CYBMUJFWSA-N -1 3 385.183 3.879 20 0 GHADHM O=C1CCCc2cc(S(=O)(=O)[N-]c3cc(-n4cccc4)ccc3F)ccc2N1 ZINC001338182806 1058440633 /nfs/dbraw/zinc/44/06/33/1058440633.db2.gz UCZBNEGTTYVENL-UHFFFAOYSA-N -1 3 399.447 3.692 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001440749196 1058609256 /nfs/dbraw/zinc/60/92/56/1058609256.db2.gz QMWYTINCLHXHFL-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001440749196 1058609268 /nfs/dbraw/zinc/60/92/68/1058609268.db2.gz QMWYTINCLHXHFL-UHFFFAOYSA-N -1 3 398.854 3.879 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001440910351 1058657079 /nfs/dbraw/zinc/65/70/79/1058657079.db2.gz WYXAFCFKJCPJDN-DGCLKSJQSA-N -1 3 377.282 3.941 20 0 GHADHM O=C(NCc1ccnc(OC2CCCC2)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001441312000 1058747329 /nfs/dbraw/zinc/74/73/29/1058747329.db2.gz OLSKXEYQJFNQSJ-UHFFFAOYSA-N -1 3 397.862 3.828 20 0 GHADHM O=C(NCc1ccnc(OC2CCCC2)c1)c1cc([O-])cc(Br)c1 ZINC001441316479 1058747669 /nfs/dbraw/zinc/74/76/69/1058747669.db2.gz YNNGGBGFCBTCDQ-UHFFFAOYSA-N -1 3 391.265 3.801 20 0 GHADHM COCCOc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c(C)c1 ZINC001441780334 1058862222 /nfs/dbraw/zinc/86/22/22/1058862222.db2.gz DCRQEXAKDUZEJS-UHFFFAOYSA-N -1 3 386.835 3.767 20 0 GHADHM Cc1ccn(-c2cccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c2)n1 ZINC001338972868 1058909431 /nfs/dbraw/zinc/90/94/31/1058909431.db2.gz OFIXKDTYNNNDLL-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cc1ccn(-c2cccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2)n1 ZINC001338972868 1058909432 /nfs/dbraw/zinc/90/94/32/1058909432.db2.gz OFIXKDTYNNNDLL-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cn1c2ccccc2nc1[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001442332123 1058948423 /nfs/dbraw/zinc/94/84/23/1058948423.db2.gz NAYFYGGJZKTNEB-JOCHJYFZSA-N -1 3 389.430 3.866 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 ZINC001443213064 1059085829 /nfs/dbraw/zinc/08/58/29/1059085829.db2.gz ZMFBROUCAHBYEP-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001339362834 1059142662 /nfs/dbraw/zinc/14/26/62/1059142662.db2.gz GVZVRZWRSAVQGB-KRWDZBQOSA-N -1 3 378.480 3.727 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c([O-])c1 ZINC001443600883 1059158858 /nfs/dbraw/zinc/15/88/58/1059158858.db2.gz OZMQPSXHGNSHKX-OAQYLSRUSA-N -1 3 384.451 3.617 20 0 GHADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001443704680 1059179586 /nfs/dbraw/zinc/17/95/86/1059179586.db2.gz KVERFHVVASYCGH-HNNXBMFYSA-N -1 3 376.497 3.893 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC001443972781 1059243165 /nfs/dbraw/zinc/24/31/65/1059243165.db2.gz HVCUOGCAPSLBOL-MRXNPFEDSA-N -1 3 395.890 3.923 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1nc2cc(F)ccc2[nH]1 ZINC001444740554 1059372547 /nfs/dbraw/zinc/37/25/47/1059372547.db2.gz FJEMLNRWQQGAIR-UHFFFAOYSA-N -1 3 383.757 3.772 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC001445075077 1059453381 /nfs/dbraw/zinc/45/33/81/1059453381.db2.gz FONRCZOFNOZSHH-HNNXBMFYSA-N -1 3 383.395 3.991 20 0 GHADHM Cc1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)c(O[C@H](C)CC(C)C)c1 ZINC001340292472 1059831733 /nfs/dbraw/zinc/83/17/33/1059831733.db2.gz COFICPJBMATKDL-MRXNPFEDSA-N -1 3 385.508 3.861 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)c([O-])c1 ZINC001447064946 1059925029 /nfs/dbraw/zinc/92/50/29/1059925029.db2.gz WOJCFEUDHCRATG-UHFFFAOYSA-N -1 3 378.812 3.657 20 0 GHADHM O=C(NCCCCOc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC001340563395 1059977981 /nfs/dbraw/zinc/97/79/81/1059977981.db2.gz KCLRBLKEXHYFDJ-UHFFFAOYSA-N -1 3 393.281 3.813 20 0 GHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)[C@H]2C ZINC001447561733 1059982215 /nfs/dbraw/zinc/98/22/15/1059982215.db2.gz UMPRFNLJBHRWDD-RYUDHWBXSA-N -1 3 398.409 3.963 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1ncccc1[O-] ZINC001447602460 1059986078 /nfs/dbraw/zinc/98/60/78/1059986078.db2.gz HWQZZBMNHTTZFP-SQWLQELKSA-N -1 3 375.469 3.542 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)c([O-])c1 ZINC001447679684 1059998166 /nfs/dbraw/zinc/99/81/66/1059998166.db2.gz JEKUECYULCKWSC-UHFFFAOYSA-N -1 3 396.212 3.895 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC/C=C/c2ccc(Br)cc2)c1 ZINC001450109196 1060532001 /nfs/dbraw/zinc/53/20/01/1060532001.db2.gz LOGFYFZTECIVAP-NSCUHMNNSA-N -1 3 389.249 3.556 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC001450552987 1060621713 /nfs/dbraw/zinc/62/17/13/1060621713.db2.gz WOPKVEQATRBNCP-ZDUSSCGKSA-N -1 3 382.526 3.927 20 0 GHADHM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc([O-])cc(Br)c1)C2 ZINC001450755693 1060677782 /nfs/dbraw/zinc/67/77/82/1060677782.db2.gz WMSLISTXFCJMHG-UHFFFAOYSA-N -1 3 388.261 3.851 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1[O-])c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC001451746742 1060829986 /nfs/dbraw/zinc/82/99/86/1060829986.db2.gz SPAFJNWDXONCHE-UHFFFAOYSA-N -1 3 381.285 3.914 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1noc(C(F)(F)F)n1 ZINC001452060152 1060892254 /nfs/dbraw/zinc/89/22/54/1060892254.db2.gz CDRGOOJYVICJPW-NSHDSACASA-N -1 3 391.349 3.876 20 0 GHADHM CC(C)(C)OC(=O)N(CCCNC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC001452161879 1060909362 /nfs/dbraw/zinc/90/93/62/1060909362.db2.gz RBWYQWWIGBFVNF-UHFFFAOYSA-N -1 3 394.487 3.760 20 0 GHADHM COC(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])(OC)c1ccccc1 ZINC001454275043 1061689482 /nfs/dbraw/zinc/68/94/82/1061689482.db2.gz LMFMBCLVTYXMCP-UHFFFAOYSA-N -1 3 391.467 3.859 20 0 GHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454410516 1061769252 /nfs/dbraw/zinc/76/92/52/1061769252.db2.gz IBZGXCNTIDVMTG-QWRGUYRKSA-N -1 3 378.274 3.784 20 0 GHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454410516 1061769261 /nfs/dbraw/zinc/76/92/61/1061769261.db2.gz IBZGXCNTIDVMTG-QWRGUYRKSA-N -1 3 378.274 3.784 20 0 GHADHM Cn1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)nc2c1cccc2F ZINC001545781817 1061996531 /nfs/dbraw/zinc/99/65/31/1061996531.db2.gz SWUNYOBQIGZURD-UHFFFAOYSA-N -1 3 392.390 3.650 20 0 GHADHM C[C@H](CO[N-]C(=O)CCc1ccccc1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001545857800 1062044505 /nfs/dbraw/zinc/04/45/05/1062044505.db2.gz DJSPGDQVWMPEPN-GFCCVEGCSA-N -1 3 390.402 3.599 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455389985 1062122355 /nfs/dbraw/zinc/12/23/55/1062122355.db2.gz VTSGCLKIJBJWAU-UHFFFAOYSA-N -1 3 380.231 3.531 20 0 GHADHM O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001455849277 1062327239 /nfs/dbraw/zinc/32/72/39/1062327239.db2.gz INLOHNFBZJCAOP-QGZVFWFLSA-N -1 3 381.403 3.657 20 0 GHADHM CCc1cccc(C(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)c1[O-] ZINC001347420954 1062371670 /nfs/dbraw/zinc/37/16/70/1062371670.db2.gz VQLYVDUFWYLTOF-UHFFFAOYSA-N -1 3 395.503 3.658 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)C(=O)Nc1ccccc1 ZINC001456202521 1062553554 /nfs/dbraw/zinc/55/35/54/1062553554.db2.gz SAKUGYGWNDWFND-NSHDSACASA-N -1 3 382.794 3.584 20 0 GHADHM [O-]c1c(Cl)cccc1CCc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC001347756796 1062630398 /nfs/dbraw/zinc/63/03/98/1062630398.db2.gz KLYCHMQSKBSZEE-INIZCTEOSA-N -1 3 390.915 3.592 20 0 GHADHM C[C@H]1CSCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001456949448 1062927280 /nfs/dbraw/zinc/92/72/80/1062927280.db2.gz GWLVQNOYRHJHNY-JXFKEZNVSA-N -1 3 398.528 3.607 20 0 GHADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc(C2CCOCC2)cc1 ZINC001457663829 1063299768 /nfs/dbraw/zinc/29/97/68/1063299768.db2.gz KVSZSAXGMTULTF-UHFFFAOYSA-N -1 3 384.386 3.896 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001457791877 1063369063 /nfs/dbraw/zinc/36/90/63/1063369063.db2.gz QLMIFCUFKIKHJJ-INIZCTEOSA-N -1 3 398.544 3.943 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(Cl)cc(Cl)c3F)c2c1=O ZINC001457889730 1063421527 /nfs/dbraw/zinc/42/15/27/1063421527.db2.gz SMRQEXYRRFVQQA-UHFFFAOYSA-N -1 3 383.210 3.751 20 0 GHADHM Brc1ccc(CN=c2ncnc3[nH][n-]cc2-3)c(Oc2ccccc2)c1 ZINC001458180051 1063634075 /nfs/dbraw/zinc/63/40/75/1063634075.db2.gz NVBCDZPQXTVBTE-UHFFFAOYSA-N -1 3 396.248 3.893 20 0 GHADHM CCCCc1nc(NC(=O)COc2ccc(Cl)c(F)c2)c(C(=O)OCC)[n-]1 ZINC001458957056 1063968481 /nfs/dbraw/zinc/96/84/81/1063968481.db2.gz UJAKAOZNYULQGA-UHFFFAOYSA-N -1 3 397.834 3.739 20 0 GHADHM Cc1cc(C(=O)[N-]c2c(C)onc2OC(F)F)nn1-c1cccc(Cl)c1 ZINC001458993494 1063977713 /nfs/dbraw/zinc/97/77/13/1063977713.db2.gz WEGKEYOGNYZODA-UHFFFAOYSA-N -1 3 382.754 3.984 20 0 GHADHM Cc1nc(-c2nnc(N3CCCC[C@H]3c3ccc(Cl)cc3)n2C)cc(=O)[n-]1 ZINC001350481678 1064101265 /nfs/dbraw/zinc/10/12/65/1064101265.db2.gz NHHAGPRQOVUVML-INIZCTEOSA-N -1 3 384.871 3.671 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C[C@H]3C[C@H](C)c4c3cccc4C)CC2)n1 ZINC001350691544 1064165515 /nfs/dbraw/zinc/16/55/15/1064165515.db2.gz OSXULSKUDDJRHQ-DOTOQJQBSA-N -1 3 394.519 3.565 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)CC2)n1 ZINC001350691546 1064165749 /nfs/dbraw/zinc/16/57/49/1064165749.db2.gz OSXULSKUDDJRHQ-RDJZCZTQSA-N -1 3 394.519 3.565 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)s1 ZINC001463355622 1064278281 /nfs/dbraw/zinc/27/82/81/1064278281.db2.gz GHSMCOBURPXXSO-VHSXEESVSA-N -1 3 378.441 3.941 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC1CCCC1)c1ccccc1 ZINC001463379088 1064298987 /nfs/dbraw/zinc/29/89/87/1064298987.db2.gz XKIWOAPCHDPISF-MRXNPFEDSA-N -1 3 381.929 3.982 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001463458672 1064369800 /nfs/dbraw/zinc/36/98/00/1064369800.db2.gz JGIQPSMSDYQXIH-GJZGRUSLSA-N -1 3 380.535 3.682 20 0 GHADHM CCc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC001463566298 1064465847 /nfs/dbraw/zinc/46/58/47/1064465847.db2.gz IAKJKLLEVWOQPY-UHFFFAOYSA-N -1 3 378.394 3.936 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@H](C)O1 ZINC001463583460 1064480040 /nfs/dbraw/zinc/48/00/40/1064480040.db2.gz IWXRUDQMBHOWRY-QDMKHBRRSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c(-c2ccccc2)s1 ZINC001463602661 1064492712 /nfs/dbraw/zinc/49/27/12/1064492712.db2.gz JHMGXHHFUSJIHL-OAHLLOKOSA-N -1 3 382.551 3.584 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(C(F)(F)F)ncn3)s2)c(C)c1 ZINC001351549184 1064511027 /nfs/dbraw/zinc/51/10/27/1064511027.db2.gz FEXYPCYHPZMQTJ-UHFFFAOYSA-N -1 3 379.367 3.883 20 0 GHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)[C@H]1C ZINC001463627554 1064511191 /nfs/dbraw/zinc/51/11/91/1064511191.db2.gz QDAFTLYSSCJCJB-WOPDTQHZSA-N -1 3 378.307 3.939 20 0 GHADHM O=S(=O)([N-]CCOCC1CCCC1)c1cc(Cl)ccc1Br ZINC001463837626 1064660052 /nfs/dbraw/zinc/66/00/52/1064660052.db2.gz RJAONJXKDGHPGK-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC001463927336 1064723428 /nfs/dbraw/zinc/72/34/28/1064723428.db2.gz ZLDBVAHIAWNMSQ-DIYOJNKTSA-N -1 3 384.217 3.545 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 ZINC001463952045 1064737189 /nfs/dbraw/zinc/73/71/89/1064737189.db2.gz XTDYZWKJGZBVQY-MRVPVSSYSA-N -1 3 398.403 3.783 20 0 GHADHM CC(=O)CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC001463961241 1064741762 /nfs/dbraw/zinc/74/17/62/1064741762.db2.gz LUCLJZQWNXRYEG-UHFFFAOYSA-N -1 3 396.734 3.920 20 0 GHADHM O=S(=O)(c1nc[n-]c1Br)N1Cc2ccccc2-c2ccccc21 ZINC001463973485 1064746722 /nfs/dbraw/zinc/74/67/22/1064746722.db2.gz BYKRDVUSWHMKAC-UHFFFAOYSA-N -1 3 390.262 3.548 20 0 GHADHM C[C@@]1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCN(Cc2ccccc2)C1 ZINC001463984892 1064754424 /nfs/dbraw/zinc/75/44/24/1064754424.db2.gz ITNAFNXBDPJCEW-HXUWFJFHSA-N -1 3 388.464 3.515 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)c(F)c1F ZINC001464021045 1064774192 /nfs/dbraw/zinc/77/41/92/1064774192.db2.gz VZDRIQRQIWKGTR-UHFFFAOYSA-N -1 3 390.411 3.939 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001464274550 1064937680 /nfs/dbraw/zinc/93/76/80/1064937680.db2.gz QZJCLDMDSRAFGU-KBXCAEBGSA-N -1 3 396.915 3.668 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001464482600 1065039035 /nfs/dbraw/zinc/03/90/35/1065039035.db2.gz FRVBPBYLSLNXPJ-UHFFFAOYSA-N -1 3 393.340 3.595 20 0 GHADHM O=S(=O)([N-]Cc1nccc2c1CCCC2)c1c2ncsc2ccc1Cl ZINC001464499566 1065047957 /nfs/dbraw/zinc/04/79/57/1065047957.db2.gz GMNXEPDQRNBKER-UHFFFAOYSA-N -1 3 393.921 3.702 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccco1 ZINC001464551388 1065077460 /nfs/dbraw/zinc/07/74/60/1065077460.db2.gz JLEQVGOYYOMDDK-SFHVURJKSA-N -1 3 396.443 3.871 20 0 GHADHM Cc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cccc1C(=O)Nc1ccccc1 ZINC001464562204 1065082730 /nfs/dbraw/zinc/08/27/30/1065082730.db2.gz VVKCKRNDNRHXCW-UHFFFAOYSA-N -1 3 388.427 3.873 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c1 ZINC001464747482 1065188769 /nfs/dbraw/zinc/18/87/69/1065188769.db2.gz BKKORLUYHVSAIF-UHFFFAOYSA-N -1 3 393.468 3.691 20 0 GHADHM CC1(C)CCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC001464789456 1065212338 /nfs/dbraw/zinc/21/23/38/1065212338.db2.gz LFSLSXKAPPLUGT-UHFFFAOYSA-N -1 3 385.744 3.657 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC001200132571 1065305558 /nfs/dbraw/zinc/30/55/58/1065305558.db2.gz MZLXVJZNDBQZON-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cncc(N3CCCC3)n2)s1)c1ccccc1 ZINC001353300945 1065850160 /nfs/dbraw/zinc/85/01/60/1065850160.db2.gz WDHLOBPKKAZSEG-OAHLLOKOSA-N -1 3 394.504 3.723 20 0 GHADHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001465800362 1065865237 /nfs/dbraw/zinc/86/52/37/1065865237.db2.gz URFJFZDRKBGYDB-JTQLQIEISA-N -1 3 384.220 3.723 20 0 GHADHM CC(C)Cc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC001465878410 1065908354 /nfs/dbraw/zinc/90/83/54/1065908354.db2.gz MGUBBXZHHHZRLH-HNNXBMFYSA-N -1 3 385.430 3.808 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Br)cc2c1OCCO2 ZINC001466257619 1066059040 /nfs/dbraw/zinc/05/90/40/1066059040.db2.gz HJZXYFWOLRKLAZ-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001466629196 1066222496 /nfs/dbraw/zinc/22/24/96/1066222496.db2.gz AERPZZNCNGNALR-GTNSWQLSSA-N -1 3 397.233 3.996 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@@H]1Cc2ccc(Cl)cc21 ZINC001466818361 1066334825 /nfs/dbraw/zinc/33/48/25/1066334825.db2.gz IQDQCENQUORPQX-GFCCVEGCSA-N -1 3 399.615 3.929 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(C)ccc2[O-])cc(Br)c1F ZINC001466861338 1066354340 /nfs/dbraw/zinc/35/43/40/1066354340.db2.gz ZEXOYGZBNNDBCL-UHFFFAOYSA-N -1 3 382.185 3.641 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccc(OC)cc4s3)nc21 ZINC001357296427 1067036993 /nfs/dbraw/zinc/03/69/93/1067036993.db2.gz SUHHHOARMBTXCZ-UHFFFAOYSA-N -1 3 381.413 3.825 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC001467305694 1067214199 /nfs/dbraw/zinc/21/41/99/1067214199.db2.gz QDYNJINYWQCSKB-UHFFFAOYSA-N -1 3 375.837 3.749 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccsc1 ZINC001467500837 1067330579 /nfs/dbraw/zinc/33/05/79/1067330579.db2.gz MEYFVFVELKPCFA-SECBINFHSA-N -1 3 377.263 3.843 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc([O-])cc(Br)c1 ZINC001467550942 1067354351 /nfs/dbraw/zinc/35/43/51/1067354351.db2.gz XVRPUXLYJYYUEO-SMDDNHRTSA-N -1 3 386.167 3.858 20 0 GHADHM CC(C)O[N-]C(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001468459091 1067739478 /nfs/dbraw/zinc/73/94/78/1067739478.db2.gz BOAPLXAQZXHHPR-LBPRGKRZSA-N -1 3 375.250 3.706 20 0 GHADHM CCOC(=O)C(=Cc1ccnn1CC1CC1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000849243840 1067776163 /nfs/dbraw/zinc/77/61/63/1067776163.db2.gz YUJLEMNGEHNPSL-DHDCSXOGSA-N -1 3 398.488 3.724 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2nc(C)ccc2Br)cc1 ZINC000849336287 1067805347 /nfs/dbraw/zinc/80/53/47/1067805347.db2.gz WOYPAFXSQMXLFV-UHFFFAOYSA-N -1 3 385.283 3.742 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC001468752953 1067861184 /nfs/dbraw/zinc/86/11/84/1067861184.db2.gz MILPMMYMGYXIFO-UHFFFAOYSA-N -1 3 391.381 3.988 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC001468752953 1067861190 /nfs/dbraw/zinc/86/11/90/1067861190.db2.gz MILPMMYMGYXIFO-UHFFFAOYSA-N -1 3 391.381 3.988 20 0 GHADHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c([O-])c1 ZINC000849538728 1067901591 /nfs/dbraw/zinc/90/15/91/1067901591.db2.gz MZUYOYZFCPRTFQ-FQEVSTJZSA-N -1 3 383.492 3.547 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2nc(-c3ccccc3)cs2)[n-]n1 ZINC001469326372 1068104406 /nfs/dbraw/zinc/10/44/06/1068104406.db2.gz HDMUKKVNPAMJFX-UHFFFAOYSA-N -1 3 384.461 3.670 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2nc(-c3ccccc3)cs2)n[n-]1 ZINC001469326372 1068104408 /nfs/dbraw/zinc/10/44/08/1068104408.db2.gz HDMUKKVNPAMJFX-UHFFFAOYSA-N -1 3 384.461 3.670 20 0 GHADHM O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001546175522 1068268495 /nfs/dbraw/zinc/26/84/95/1068268495.db2.gz STQLQNYTNUSYSS-IBGZPJMESA-N -1 3 381.472 3.789 20 0 GHADHM CC(C)(C)c1ccc(C(C)(C)CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001469644062 1068280126 /nfs/dbraw/zinc/28/01/26/1068280126.db2.gz XBPVJBVYCRFDEA-UHFFFAOYSA-N -1 3 397.445 3.898 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Br)c(F)c1C ZINC001470015252 1068524291 /nfs/dbraw/zinc/52/42/91/1068524291.db2.gz FWSBZABCFKCXNF-UHFFFAOYSA-N -1 3 386.246 3.675 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1cc(=O)[n-]cn1 ZINC001470072183 1068556158 /nfs/dbraw/zinc/55/61/58/1068556158.db2.gz TYIKROCWOIXFNM-UHFFFAOYSA-N -1 3 376.254 3.534 20 0 GHADHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC001470195339 1068619570 /nfs/dbraw/zinc/61/95/70/1068619570.db2.gz VHMWUELBJJUMEC-GFCCVEGCSA-N -1 3 383.375 3.877 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@](C)(C(F)F)O1 ZINC001470274723 1068659442 /nfs/dbraw/zinc/65/94/42/1068659442.db2.gz HEUAKHMZXPDADG-SZNDQCEHSA-N -1 3 375.415 3.868 20 0 GHADHM COCc1cc(C(=O)[N-]c2csc(-c3ccc(Br)cc3)n2)no1 ZINC001470538662 1072615048 /nfs/dbraw/zinc/61/50/48/1072615048.db2.gz TZCHUNPIAJKZCS-UHFFFAOYSA-N -1 3 394.250 3.959 20 0 GHADHM COc1ccc(C(=O)N2CCc3cc(C)cc(Br)c3C2)c([O-])c1 ZINC001471091879 1072918448 /nfs/dbraw/zinc/91/84/48/1072918448.db2.gz RGNWVECRITVAAO-UHFFFAOYSA-N -1 3 376.250 3.670 20 0 GHADHM CCOc1nnc(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)[n-]1 ZINC001471299582 1073004987 /nfs/dbraw/zinc/00/49/87/1073004987.db2.gz AQTFOKCHIRBFIY-MRXNPFEDSA-N -1 3 386.839 3.924 20 0 GHADHM CCOc1nc(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)n[n-]1 ZINC001471299582 1073005001 /nfs/dbraw/zinc/00/50/01/1073005001.db2.gz AQTFOKCHIRBFIY-MRXNPFEDSA-N -1 3 386.839 3.924 20 0 GHADHM CCOc1n[n-]c(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)n1 ZINC001471299582 1073005011 /nfs/dbraw/zinc/00/50/11/1073005011.db2.gz AQTFOKCHIRBFIY-MRXNPFEDSA-N -1 3 386.839 3.924 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCCF)c2)cc1 ZINC001471936173 1073268796 /nfs/dbraw/zinc/26/87/96/1073268796.db2.gz BEXPSAMAWWYQBN-UHFFFAOYSA-N -1 3 378.469 3.536 20 0 GHADHM Cc1cc2c(cc1Br)CN(C(=O)c1nnc3ccccc3c1[O-])CC2 ZINC001472044423 1073316088 /nfs/dbraw/zinc/31/60/88/1073316088.db2.gz QTBADQWWLLESLP-UHFFFAOYSA-N -1 3 398.260 3.605 20 0 GHADHM COC(=O)c1cc(NC(=O)/C=C/c2ccccc2C(F)(F)F)c([O-])c(OC)c1 ZINC001472229233 1073376055 /nfs/dbraw/zinc/37/60/55/1073376055.db2.gz CSLWITCTLJZJGL-BQYQJAHWSA-N -1 3 395.333 3.858 20 0 GHADHM O=C(C=CSCc1ccco1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241914 1073380037 /nfs/dbraw/zinc/38/00/37/1073380037.db2.gz XWVWUOBOOJGHBT-CSKARUKUSA-N -1 3 383.429 3.745 20 0 GHADHM O=C(/C=C/SCc1ccco1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241914 1073380040 /nfs/dbraw/zinc/38/00/40/1073380040.db2.gz XWVWUOBOOJGHBT-CSKARUKUSA-N -1 3 383.429 3.745 20 0 GHADHM Cc1nn(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c(C)c1Cl ZINC001472355453 1073441752 /nfs/dbraw/zinc/44/17/52/1073441752.db2.gz KZXMIWPBJMXSJT-UHFFFAOYSA-N -1 3 390.900 3.511 20 0 GHADHM CC(C)(C)O[N-]C(=O)CCCCc1ccc(I)cc1 ZINC001472532138 1073535086 /nfs/dbraw/zinc/53/50/86/1073535086.db2.gz FQSYMDLCIGXTSF-UHFFFAOYSA-N -1 3 375.250 3.850 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)nn1-c1ccc(F)cc1F ZINC001472575075 1073557566 /nfs/dbraw/zinc/55/75/66/1073557566.db2.gz GOYFMFYJEBOESU-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3ccc(NC(C)=O)cc3C2)c([O-])c1 ZINC001472616663 1073578705 /nfs/dbraw/zinc/57/87/05/1073578705.db2.gz XKLVLULXARHDFJ-UHFFFAOYSA-N -1 3 382.460 3.728 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@](O)(CC)CCC(F)(F)F)c([O-])c1 ZINC001472626457 1073583858 /nfs/dbraw/zinc/58/38/58/1073583858.db2.gz SYIIZFFJKDKQFZ-KRWDZBQOSA-N -1 3 377.403 3.785 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001473164742 1073823047 /nfs/dbraw/zinc/82/30/47/1073823047.db2.gz VZCJHUQHIRJRSI-LJQANCHMSA-N -1 3 388.462 3.607 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)Cc1cccc(OC(F)(F)F)c1 ZINC001473271698 1073901148 /nfs/dbraw/zinc/90/11/48/1073901148.db2.gz BNRMHKAGYMWUJQ-UHFFFAOYSA-N -1 3 379.338 3.973 20 0 GHADHM O=C([N-]CC[C@@H]1CN(CCSc2ccncc2)c2ccccc21)C(F)(F)F ZINC001473727318 1074110923 /nfs/dbraw/zinc/11/09/23/1074110923.db2.gz DQJVUSCYFXAPSN-CQSZACIVSA-N -1 3 395.450 3.846 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC001474877683 1074608071 /nfs/dbraw/zinc/60/80/71/1074608071.db2.gz OBFDNNDZTVBUJG-BBRMVZONSA-N -1 3 382.888 3.593 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)N2CCCC2)cc1 ZINC001474896615 1074618565 /nfs/dbraw/zinc/61/85/65/1074618565.db2.gz GAJHWGHVULEGRF-KRWDZBQOSA-N -1 3 396.915 3.903 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)C2)c(C)c1Cl ZINC001474946548 1074645723 /nfs/dbraw/zinc/64/57/23/1074645723.db2.gz GMRWOWCUWBEIOZ-RYUDHWBXSA-N -1 3 393.958 3.990 20 0 GHADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001474960146 1074654114 /nfs/dbraw/zinc/65/41/14/1074654114.db2.gz ZPNHZCGLVNOFTF-GFCCVEGCSA-N -1 3 384.851 3.512 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1cccnc1 ZINC001474964714 1074655976 /nfs/dbraw/zinc/65/59/76/1074655976.db2.gz QEJXXBAMGLGIJY-JTQLQIEISA-N -1 3 381.251 3.630 20 0 GHADHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001475113778 1074742237 /nfs/dbraw/zinc/74/22/37/1074742237.db2.gz SUXOXIROGCCQJB-LLVKDONJSA-N -1 3 389.926 3.712 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@H]2C)c1 ZINC001475173967 1074769327 /nfs/dbraw/zinc/76/93/27/1074769327.db2.gz JPRHJUYLNULDTN-SJKOYZFVSA-N -1 3 379.503 3.527 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CC[C@H](Cc2ccccc2)C1)C1CCCCC1 ZINC001475212657 1074788102 /nfs/dbraw/zinc/78/81/02/1074788102.db2.gz WUSJNXOGVQDGHP-FUMQJTLXSA-N -1 3 398.594 3.663 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2(CCOCc3ccccc3)CC2)c(F)cc1F ZINC001475218403 1074790921 /nfs/dbraw/zinc/79/09/21/1074790921.db2.gz PYCPZEGKTNBESH-UHFFFAOYSA-N -1 3 395.471 3.939 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)sc1Br ZINC001475224790 1074793707 /nfs/dbraw/zinc/79/37/07/1074793707.db2.gz WPWZMLNJHOHBSP-NEPJUHHUSA-N -1 3 396.372 3.691 20 0 GHADHM CCO[C@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 ZINC001475253186 1074806257 /nfs/dbraw/zinc/80/62/57/1074806257.db2.gz HZBOAOKAKAICEA-QGZVFWFLSA-N -1 3 388.514 3.866 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)c1ccc(CC(C)C)cc1)(C(=O)OC)c1ccccc1 ZINC001475287205 1074823042 /nfs/dbraw/zinc/82/30/42/1074823042.db2.gz QHWVZTAWZMPRKT-NRFANRHFSA-N -1 3 389.517 3.642 20 0 GHADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001475453404 1074879904 /nfs/dbraw/zinc/87/99/04/1074879904.db2.gz OSLSXHCVZDVHNW-NXEZZACHSA-N -1 3 384.386 3.772 20 0 GHADHM CC1(CS(=O)(=O)[N-]C2(C(=O)OCc3ccccc3)CCC2)CCCCC1 ZINC001475374274 1074852769 /nfs/dbraw/zinc/85/27/69/1074852769.db2.gz SRJWPMLXQGVVSJ-UHFFFAOYSA-N -1 3 379.522 3.542 20 0 GHADHM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001475391646 1074858831 /nfs/dbraw/zinc/85/88/31/1074858831.db2.gz NEIPTKUBYGKNGD-GJZGRUSLSA-N -1 3 385.501 3.806 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC2CCC1CC2)c1cnc(Cl)c(Br)c1 ZINC001475425162 1074870029 /nfs/dbraw/zinc/87/00/29/1074870029.db2.gz NFCBUFDDDGMPJA-ILDUYXDCSA-N -1 3 393.734 3.602 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001475429951 1074872672 /nfs/dbraw/zinc/87/26/72/1074872672.db2.gz FGFIVKPPVBWCKJ-RYUDHWBXSA-N -1 3 390.814 3.836 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2CC3(CCC3)C2)CCCCCC1 ZINC001475457289 1074881674 /nfs/dbraw/zinc/88/16/74/1074881674.db2.gz SHRGAHLQQUQCFS-UHFFFAOYSA-N -1 3 385.570 3.921 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(Cl)c1)c1cccnc1C(F)(F)F ZINC001475502207 1074898861 /nfs/dbraw/zinc/89/88/61/1074898861.db2.gz HDQIGPMNYFLBFK-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1(F)F ZINC001475524826 1074904591 /nfs/dbraw/zinc/90/45/91/1074904591.db2.gz CJDGZEABFMFGNS-SNVBAGLBSA-N -1 3 388.661 3.672 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCCS1)c1cccc(Cl)c1Br ZINC001475541782 1074908962 /nfs/dbraw/zinc/90/89/62/1074908962.db2.gz ROGVJVOHTNPUDC-SECBINFHSA-N -1 3 384.748 3.667 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc2ccccc21 ZINC001475686992 1074999599 /nfs/dbraw/zinc/99/95/99/1074999599.db2.gz MAUOQKWDSFMNLR-SFHVURJKSA-N -1 3 377.506 3.800 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ncccc2C)c(F)cc1Br ZINC001475781435 1075020644 /nfs/dbraw/zinc/02/06/44/1075020644.db2.gz SYBRBYYEZJIZEQ-LLVKDONJSA-N -1 3 387.274 3.640 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1C1CCCC1)c1cccc(Br)c1F ZINC001475797859 1075024175 /nfs/dbraw/zinc/02/41/75/1075024175.db2.gz CQYLBOWJCWWZJY-NEPJUHHUSA-N -1 3 376.291 3.693 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001476117185 1075087837 /nfs/dbraw/zinc/08/78/37/1075087837.db2.gz NXSWDVRLTWFXKW-SSDOTTSWSA-N -1 3 379.289 3.616 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)(NCc1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001592839734 1126217319 /nfs/dbraw/zinc/21/73/19/1126217319.db2.gz HQROOFNRGSLSIJ-CQSZACIVSA-N -1 3 378.803 3.991 20 0 GHADHM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000030372063 207370676 /nfs/dbraw/zinc/37/06/76/207370676.db2.gz XOZGAVBSDRACNS-UHFFFAOYSA-N -1 3 399.148 3.926 20 0 GHADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000007377439 208724369 /nfs/dbraw/zinc/72/43/69/208724369.db2.gz KBQWEYXLBUNZMC-DMDPSCGWSA-N -1 3 376.316 3.561 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC2(CC2)c2ccccc21 ZINC000738400225 598828628 /nfs/dbraw/zinc/82/86/28/598828628.db2.gz AYIQDIWDNCCVGA-UHFFFAOYSA-N -1 3 382.880 3.769 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC2(CC2)c2ccccc21 ZINC000738400225 598828630 /nfs/dbraw/zinc/82/86/30/598828630.db2.gz AYIQDIWDNCCVGA-UHFFFAOYSA-N -1 3 382.880 3.769 20 0 GHADHM CSc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000737191274 598834541 /nfs/dbraw/zinc/83/45/41/598834541.db2.gz BPCIDHVYPSDUOJ-UHFFFAOYSA-N -1 3 397.485 3.840 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000738150856 598839541 /nfs/dbraw/zinc/83/95/41/598839541.db2.gz KEVSJBJOLPVBBT-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000738150856 598839543 /nfs/dbraw/zinc/83/95/43/598839543.db2.gz KEVSJBJOLPVBBT-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736479945 598850107 /nfs/dbraw/zinc/85/01/07/598850107.db2.gz NGILOBJQAXJNRG-UHFFFAOYSA-N -1 3 382.443 3.801 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736479945 598850109 /nfs/dbraw/zinc/85/01/09/598850109.db2.gz NGILOBJQAXJNRG-UHFFFAOYSA-N -1 3 382.443 3.801 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000738152698 598851582 /nfs/dbraw/zinc/85/15/82/598851582.db2.gz XZXBQMFIRIATPQ-HNNXBMFYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000738152698 598851584 /nfs/dbraw/zinc/85/15/84/598851584.db2.gz XZXBQMFIRIATPQ-HNNXBMFYSA-N -1 3 398.854 3.595 20 0 GHADHM c1ccc(-c2noc(-c3ccc(Oc4ccc(-c5nnn[n-]5)cn4)cc3)n2)cc1 ZINC000738427351 598859203 /nfs/dbraw/zinc/85/92/03/598859203.db2.gz VGCKQMLMMQDULD-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(-c2noc(-c3ccc(Oc4ccc(-c5nn[n-]n5)cn4)cc3)n2)cc1 ZINC000738427351 598859204 /nfs/dbraw/zinc/85/92/04/598859204.db2.gz VGCKQMLMMQDULD-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM CCSc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736664937 598865170 /nfs/dbraw/zinc/86/51/70/598865170.db2.gz AZLOKOXTRJQGKU-SFHVURJKSA-N -1 3 394.504 3.586 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898706 598880322 /nfs/dbraw/zinc/88/03/22/598880322.db2.gz RJZIVDZBQNBLAU-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898706 598880324 /nfs/dbraw/zinc/88/03/24/598880324.db2.gz RJZIVDZBQNBLAU-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](N[C@H](CC(C)C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892621 598883911 /nfs/dbraw/zinc/88/39/11/598883911.db2.gz AVVSRHMIZIHBOO-UXHICEINSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@@H](N[C@H](CC(C)C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892621 598883912 /nfs/dbraw/zinc/88/39/12/598883912.db2.gz AVVSRHMIZIHBOO-UXHICEINSA-N -1 3 393.491 3.766 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(Cl)ccc1Cl ZINC000736039398 598884496 /nfs/dbraw/zinc/88/44/96/598884496.db2.gz IYNXTOPPERJJHS-SNVBAGLBSA-N -1 3 393.230 3.798 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(Cl)ccc1Cl ZINC000736039398 598884498 /nfs/dbraw/zinc/88/44/98/598884498.db2.gz IYNXTOPPERJJHS-SNVBAGLBSA-N -1 3 393.230 3.798 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000736036634 598888606 /nfs/dbraw/zinc/88/86/06/598888606.db2.gz FRXAGGDKCCULEQ-UONOGXRCSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000736036634 598888608 /nfs/dbraw/zinc/88/86/08/598888608.db2.gz FRXAGGDKCCULEQ-UONOGXRCSA-N -1 3 384.411 3.510 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc2ccccc2c1 ZINC000737946313 598901491 /nfs/dbraw/zinc/90/14/91/598901491.db2.gz AGPTXJYBLGCISU-UHFFFAOYSA-N -1 3 376.441 3.855 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2ccccc2c1 ZINC000737946313 598901493 /nfs/dbraw/zinc/90/14/93/598901493.db2.gz AGPTXJYBLGCISU-UHFFFAOYSA-N -1 3 376.441 3.855 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC000736637051 598905373 /nfs/dbraw/zinc/90/53/73/598905373.db2.gz NZCUEGVYCNJKJS-KRWDZBQOSA-N -1 3 395.467 3.666 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC000736637051 598905375 /nfs/dbraw/zinc/90/53/75/598905375.db2.gz NZCUEGVYCNJKJS-KRWDZBQOSA-N -1 3 395.467 3.666 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924776 598910989 /nfs/dbraw/zinc/91/09/89/598910989.db2.gz UNPSBECGAQIJGY-UXHICEINSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924776 598910991 /nfs/dbraw/zinc/91/09/91/598910991.db2.gz UNPSBECGAQIJGY-UXHICEINSA-N -1 3 375.476 3.752 20 0 GHADHM CCO[C@@H](C)c1nc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cs1 ZINC000736618030 598912830 /nfs/dbraw/zinc/91/28/30/598912830.db2.gz UGRXQKWDVQFWTC-NSHDSACASA-N -1 3 376.511 3.725 20 0 GHADHM CCO[C@@H](C)c1nc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cs1 ZINC000736618030 598912832 /nfs/dbraw/zinc/91/28/32/598912832.db2.gz UGRXQKWDVQFWTC-NSHDSACASA-N -1 3 376.511 3.725 20 0 GHADHM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736565438 598931332 /nfs/dbraw/zinc/93/13/32/598931332.db2.gz XWNWSHZOVXZOJY-UHFFFAOYSA-N -1 3 393.472 3.544 20 0 GHADHM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736565438 598931334 /nfs/dbraw/zinc/93/13/34/598931334.db2.gz XWNWSHZOVXZOJY-UHFFFAOYSA-N -1 3 393.472 3.544 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735747310 598932142 /nfs/dbraw/zinc/93/21/42/598932142.db2.gz BXVRQVNWMKFNPJ-IBGZPJMESA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735747310 598932144 /nfs/dbraw/zinc/93/21/44/598932144.db2.gz BXVRQVNWMKFNPJ-IBGZPJMESA-N -1 3 391.475 3.706 20 0 GHADHM CCCCSc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000736463381 598935630 /nfs/dbraw/zinc/93/56/30/598935630.db2.gz OJXUNHLGQIBARA-UHFFFAOYSA-N -1 3 385.931 3.810 20 0 GHADHM CCCCSc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000736463381 598935632 /nfs/dbraw/zinc/93/56/32/598935632.db2.gz OJXUNHLGQIBARA-UHFFFAOYSA-N -1 3 385.931 3.810 20 0 GHADHM Fc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc(F)c1N1CCCC1 ZINC000737651518 598939140 /nfs/dbraw/zinc/93/91/40/598939140.db2.gz KYKKRSGUPPIFTF-UHFFFAOYSA-N -1 3 377.786 3.537 20 0 GHADHM Fc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc(F)c1N1CCCC1 ZINC000737651518 598939142 /nfs/dbraw/zinc/93/91/42/598939142.db2.gz KYKKRSGUPPIFTF-UHFFFAOYSA-N -1 3 377.786 3.537 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736400779 598942438 /nfs/dbraw/zinc/94/24/38/598942438.db2.gz SAACBWLBEXARQK-GOEBONIOSA-N -1 3 395.463 3.737 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1sccc1-c1nnn[n-]1 ZINC000737997493 598944553 /nfs/dbraw/zinc/94/45/53/598944553.db2.gz WIAURRNBSAAHJZ-QGZVFWFLSA-N -1 3 393.447 3.781 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1sccc1-c1nn[n-]n1 ZINC000737997493 598944554 /nfs/dbraw/zinc/94/45/54/598944554.db2.gz WIAURRNBSAAHJZ-QGZVFWFLSA-N -1 3 393.447 3.781 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736204890 598944696 /nfs/dbraw/zinc/94/46/96/598944696.db2.gz SMYUAQFIKDOFFO-INIZCTEOSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736204890 598944700 /nfs/dbraw/zinc/94/47/00/598944700.db2.gz SMYUAQFIKDOFFO-INIZCTEOSA-N -1 3 391.475 3.635 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000736469794 598945274 /nfs/dbraw/zinc/94/52/74/598945274.db2.gz DHLAJYBWBVKRSM-CABCVRRESA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000736469794 598945276 /nfs/dbraw/zinc/94/52/76/598945276.db2.gz DHLAJYBWBVKRSM-CABCVRRESA-N -1 3 389.525 3.518 20 0 GHADHM CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736451598 598959615 /nfs/dbraw/zinc/95/96/15/598959615.db2.gz NLUNYTJCNUSRRO-LJQANCHMSA-N -1 3 399.520 3.809 20 0 GHADHM CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736451598 598959616 /nfs/dbraw/zinc/95/96/16/598959616.db2.gz NLUNYTJCNUSRRO-LJQANCHMSA-N -1 3 399.520 3.809 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000736714293 598961222 /nfs/dbraw/zinc/96/12/22/598961222.db2.gz WUIGSWCLTZTQTN-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000736714293 598961224 /nfs/dbraw/zinc/96/12/24/598961224.db2.gz WUIGSWCLTZTQTN-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736473856 598987712 /nfs/dbraw/zinc/98/77/12/598987712.db2.gz TVOZYHUNZBTAJK-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000736362781 598997224 /nfs/dbraw/zinc/99/72/24/598997224.db2.gz IUDJDTQHQJHZDO-LJQANCHMSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000736362781 598997227 /nfs/dbraw/zinc/99/72/27/598997227.db2.gz IUDJDTQHQJHZDO-LJQANCHMSA-N -1 3 379.464 3.610 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CCC1CC1 ZINC000737278539 599001962 /nfs/dbraw/zinc/00/19/62/599001962.db2.gz BAUFGVSTLKACQQ-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CCC1CC1 ZINC000737278539 599001963 /nfs/dbraw/zinc/00/19/63/599001963.db2.gz BAUFGVSTLKACQQ-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CCc2ccccc21 ZINC000737024336 599015855 /nfs/dbraw/zinc/01/58/55/599015855.db2.gz GJMRFAVMPUYCTL-GFCCVEGCSA-N -1 3 384.823 3.554 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CCc2ccccc21 ZINC000737024336 599015856 /nfs/dbraw/zinc/01/58/56/599015856.db2.gz GJMRFAVMPUYCTL-GFCCVEGCSA-N -1 3 384.823 3.554 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H](C)C(C)(C)C ZINC000737279160 599016375 /nfs/dbraw/zinc/01/63/75/599016375.db2.gz HMKOGMNVURAVFQ-ZDUSSCGKSA-N -1 3 380.452 3.983 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737386215 599018319 /nfs/dbraw/zinc/01/83/19/599018319.db2.gz BFWWZJDBZFUFLO-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737386215 599018321 /nfs/dbraw/zinc/01/83/21/599018321.db2.gz BFWWZJDBZFUFLO-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736403592 599022192 /nfs/dbraw/zinc/02/21/92/599022192.db2.gz WHZJLYGTILQDIK-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2nc3ccccc3s2)n1 ZINC000737635849 599040419 /nfs/dbraw/zinc/04/04/19/599040419.db2.gz NNEOHJHKXMGCJT-UHFFFAOYSA-N -1 3 377.355 3.502 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2nc3ccccc3s2)n1 ZINC000737635849 599040420 /nfs/dbraw/zinc/04/04/20/599040420.db2.gz NNEOHJHKXMGCJT-UHFFFAOYSA-N -1 3 377.355 3.502 20 0 GHADHM COC(C)(C)C[C@@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000821672645 599045504 /nfs/dbraw/zinc/04/55/04/599045504.db2.gz SDKQPPQXZLAUDM-CYBMUJFWSA-N -1 3 379.468 3.592 20 0 GHADHM COC(C)(C)C[C@@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000821672645 599045507 /nfs/dbraw/zinc/04/55/07/599045507.db2.gz SDKQPPQXZLAUDM-CYBMUJFWSA-N -1 3 379.468 3.592 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)COCc1ccccc1 ZINC000736027036 599045597 /nfs/dbraw/zinc/04/55/97/599045597.db2.gz VSBXAJPVALWHDJ-GFCCVEGCSA-N -1 3 392.385 3.545 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)COCc1ccccc1 ZINC000736027036 599045600 /nfs/dbraw/zinc/04/56/00/599045600.db2.gz VSBXAJPVALWHDJ-GFCCVEGCSA-N -1 3 392.385 3.545 20 0 GHADHM Fc1cccc(CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)c1 ZINC000737660032 599047979 /nfs/dbraw/zinc/04/79/79/599047979.db2.gz HYKVTVXTTOXACS-UHFFFAOYSA-N -1 3 378.333 3.589 20 0 GHADHM Fc1cccc(CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)c1 ZINC000737660032 599047982 /nfs/dbraw/zinc/04/79/82/599047982.db2.gz HYKVTVXTTOXACS-UHFFFAOYSA-N -1 3 378.333 3.589 20 0 GHADHM COc1ccccc1C(C)(C)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737137049 599049794 /nfs/dbraw/zinc/04/97/94/599049794.db2.gz BOJSCFPASFSIFB-UHFFFAOYSA-N -1 3 392.385 3.679 20 0 GHADHM COc1ccccc1C(C)(C)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737137049 599049797 /nfs/dbraw/zinc/04/97/97/599049797.db2.gz BOJSCFPASFSIFB-UHFFFAOYSA-N -1 3 392.385 3.679 20 0 GHADHM Cc1ccccc1C1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737421471 599054416 /nfs/dbraw/zinc/05/44/16/599054416.db2.gz IXQBNUUKLWMFMV-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM Cc1ccccc1C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737421471 599054419 /nfs/dbraw/zinc/05/44/19/599054419.db2.gz IXQBNUUKLWMFMV-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000737639787 599061119 /nfs/dbraw/zinc/06/11/19/599061119.db2.gz FYZPYVONWZBMHD-CYBMUJFWSA-N -1 3 392.360 3.715 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCc2ccccc21 ZINC000736739018 599066392 /nfs/dbraw/zinc/06/63/92/599066392.db2.gz GXJJGRFVEMWIGY-QGZVFWFLSA-N -1 3 397.479 3.634 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCCc2ccccc21 ZINC000736739018 599066395 /nfs/dbraw/zinc/06/63/95/599066395.db2.gz GXJJGRFVEMWIGY-QGZVFWFLSA-N -1 3 397.479 3.634 20 0 GHADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736350191 599077052 /nfs/dbraw/zinc/07/70/52/599077052.db2.gz KNRQBWJQABMETP-KXBFYZLASA-N -1 3 393.491 3.507 20 0 GHADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736350191 599077053 /nfs/dbraw/zinc/07/70/53/599077053.db2.gz KNRQBWJQABMETP-KXBFYZLASA-N -1 3 393.491 3.507 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736210069 599093256 /nfs/dbraw/zinc/09/32/56/599093256.db2.gz DYOHYOJJDRDGQW-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM C[C@H](CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)(C)C ZINC000736017954 599101299 /nfs/dbraw/zinc/10/12/99/599101299.db2.gz SQKAQXTWJCARDT-GFCCVEGCSA-N -1 3 399.524 3.718 20 0 GHADHM C[C@H](CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)(C)C ZINC000736017954 599101300 /nfs/dbraw/zinc/10/13/00/599101300.db2.gz SQKAQXTWJCARDT-GFCCVEGCSA-N -1 3 399.524 3.718 20 0 GHADHM Cc1c2ccccc2oc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737212145 599102671 /nfs/dbraw/zinc/10/26/71/599102671.db2.gz POMINPKKFUNDPD-UHFFFAOYSA-N -1 3 393.451 3.800 20 0 GHADHM Cc1c2ccccc2oc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737212145 599102675 /nfs/dbraw/zinc/10/26/75/599102675.db2.gz POMINPKKFUNDPD-UHFFFAOYSA-N -1 3 393.451 3.800 20 0 GHADHM COCCN(C(=O)c1cc(Cl)sc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989208 599116013 /nfs/dbraw/zinc/11/60/13/599116013.db2.gz WZCHTEGQWWKRPI-UHFFFAOYSA-N -1 3 398.275 3.528 20 0 GHADHM COCCN(C(=O)c1cc(Cl)sc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989208 599116016 /nfs/dbraw/zinc/11/60/16/599116016.db2.gz WZCHTEGQWWKRPI-UHFFFAOYSA-N -1 3 398.275 3.528 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563008 599120576 /nfs/dbraw/zinc/12/05/76/599120576.db2.gz LDXJZQXJVOXQNH-JTQLQIEISA-N -1 3 397.287 3.850 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563008 599120579 /nfs/dbraw/zinc/12/05/79/599120579.db2.gz LDXJZQXJVOXQNH-JTQLQIEISA-N -1 3 397.287 3.850 20 0 GHADHM COc1ccccc1[C@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821882751 599128040 /nfs/dbraw/zinc/12/80/40/599128040.db2.gz JQYHRAPIRXQQTF-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821882751 599128043 /nfs/dbraw/zinc/12/80/43/599128043.db2.gz JQYHRAPIRXQQTF-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820321831 599136486 /nfs/dbraw/zinc/13/64/86/599136486.db2.gz MWYUBGBJMLTOPP-ZWLSGLHFSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820321831 599136488 /nfs/dbraw/zinc/13/64/88/599136488.db2.gz MWYUBGBJMLTOPP-ZWLSGLHFSA-N -1 3 382.493 3.511 20 0 GHADHM CCCCC[C@H](C)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821048678 599141266 /nfs/dbraw/zinc/14/12/66/599141266.db2.gz FOIHJNNUSMHHAJ-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCC[C@H](C)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821048678 599141269 /nfs/dbraw/zinc/14/12/69/599141269.db2.gz FOIHJNNUSMHHAJ-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148292 599143406 /nfs/dbraw/zinc/14/34/06/599143406.db2.gz NQZDNDCKZNQYBM-LIRRHRJNSA-N -1 3 393.516 3.807 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148292 599143409 /nfs/dbraw/zinc/14/34/09/599143409.db2.gz NQZDNDCKZNQYBM-LIRRHRJNSA-N -1 3 393.516 3.807 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000820121336 599145886 /nfs/dbraw/zinc/14/58/86/599145886.db2.gz QDOFNNYLPDFVNT-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000820121336 599145888 /nfs/dbraw/zinc/14/58/88/599145888.db2.gz QDOFNNYLPDFVNT-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Br)cn1C(C)C ZINC000822220532 599149372 /nfs/dbraw/zinc/14/93/72/599149372.db2.gz VKPZOOUDTAAZSZ-UHFFFAOYSA-N -1 3 389.257 3.572 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Br)cn1C(C)C ZINC000822220532 599149374 /nfs/dbraw/zinc/14/93/74/599149374.db2.gz VKPZOOUDTAAZSZ-UHFFFAOYSA-N -1 3 389.257 3.572 20 0 GHADHM Cc1c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)oc2c1c(C)ccc2C ZINC000822231623 599171548 /nfs/dbraw/zinc/17/15/48/599171548.db2.gz ATUAGZCBHHPBMO-UHFFFAOYSA-N -1 3 379.395 3.607 20 0 GHADHM Cc1c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)oc2c1c(C)ccc2C ZINC000822231623 599171550 /nfs/dbraw/zinc/17/15/50/599171550.db2.gz ATUAGZCBHHPBMO-UHFFFAOYSA-N -1 3 379.395 3.607 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)o2)cc1 ZINC000821475887 599176322 /nfs/dbraw/zinc/17/63/22/599176322.db2.gz BWPYQVWIDWOWIE-UHFFFAOYSA-N -1 3 391.406 3.758 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)o2)cc1 ZINC000821475887 599176325 /nfs/dbraw/zinc/17/63/25/599176325.db2.gz BWPYQVWIDWOWIE-UHFFFAOYSA-N -1 3 391.406 3.758 20 0 GHADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736125462 599181961 /nfs/dbraw/zinc/18/19/61/599181961.db2.gz KECDTITVZXBIQV-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736125462 599181962 /nfs/dbraw/zinc/18/19/62/599181962.db2.gz KECDTITVZXBIQV-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000735654120 599183782 /nfs/dbraw/zinc/18/37/82/599183782.db2.gz ACVWFEXQLFRACP-AWEZNQCLSA-N -1 3 382.493 3.641 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000735654120 599183784 /nfs/dbraw/zinc/18/37/84/599183784.db2.gz ACVWFEXQLFRACP-AWEZNQCLSA-N -1 3 382.493 3.641 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820951281 599202038 /nfs/dbraw/zinc/20/20/38/599202038.db2.gz XKTAYZHCPCJJQZ-NRFANRHFSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820951281 599202040 /nfs/dbraw/zinc/20/20/40/599202040.db2.gz XKTAYZHCPCJJQZ-NRFANRHFSA-N -1 3 395.463 3.691 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299811 599202540 /nfs/dbraw/zinc/20/25/40/599202540.db2.gz VPWKWIBMDPHPKJ-FQEVSTJZSA-N -1 3 391.475 3.616 20 0 GHADHM Cc1ocnc1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737557960 599210656 /nfs/dbraw/zinc/21/06/56/599210656.db2.gz YNXBTWIPOJDWSR-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1ocnc1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737557960 599210658 /nfs/dbraw/zinc/21/06/58/599210658.db2.gz YNXBTWIPOJDWSR-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccs1 ZINC000735904763 599218208 /nfs/dbraw/zinc/21/82/08/599218208.db2.gz AZEFIAIIJQCXPQ-UHFFFAOYSA-N -1 3 386.481 3.772 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccs1 ZINC000735904763 599218211 /nfs/dbraw/zinc/21/82/11/599218211.db2.gz AZEFIAIIJQCXPQ-UHFFFAOYSA-N -1 3 386.481 3.772 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821460756 599218682 /nfs/dbraw/zinc/21/86/82/599218682.db2.gz BPGCOBDGRBIMAW-CQSZACIVSA-N -1 3 381.505 3.795 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821460756 599218684 /nfs/dbraw/zinc/21/86/84/599218684.db2.gz BPGCOBDGRBIMAW-CQSZACIVSA-N -1 3 381.505 3.795 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821481544 599220910 /nfs/dbraw/zinc/22/09/10/599220910.db2.gz KWRSNVPTJBAJSB-HNAYVOBHSA-N -1 3 393.491 3.955 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821481544 599220913 /nfs/dbraw/zinc/22/09/13/599220913.db2.gz KWRSNVPTJBAJSB-HNAYVOBHSA-N -1 3 393.491 3.955 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000822232131 599221465 /nfs/dbraw/zinc/22/14/65/599221465.db2.gz UWXAYCNSVGVLBW-LXZKKBNFSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000822232131 599221468 /nfs/dbraw/zinc/22/14/68/599221468.db2.gz UWXAYCNSVGVLBW-LXZKKBNFSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1sc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1C ZINC000822563753 599224064 /nfs/dbraw/zinc/22/40/64/599224064.db2.gz NJDUAMCSKSEBTH-UHFFFAOYSA-N -1 3 391.497 3.864 20 0 GHADHM Cc1sc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1C ZINC000822563753 599224066 /nfs/dbraw/zinc/22/40/66/599224066.db2.gz NJDUAMCSKSEBTH-UHFFFAOYSA-N -1 3 391.497 3.864 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736350833 599232578 /nfs/dbraw/zinc/23/25/78/599232578.db2.gz CFWBXBPZQOSVHM-NRFANRHFSA-N -1 3 391.519 3.978 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736350833 599232580 /nfs/dbraw/zinc/23/25/80/599232580.db2.gz CFWBXBPZQOSVHM-NRFANRHFSA-N -1 3 391.519 3.978 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822233906 607263808 /nfs/dbraw/zinc/26/38/08/607263808.db2.gz XNMAHZLJKJOUKM-CQSZACIVSA-N -1 3 386.843 3.574 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822233906 607263809 /nfs/dbraw/zinc/26/38/09/607263809.db2.gz XNMAHZLJKJOUKM-CQSZACIVSA-N -1 3 386.843 3.574 20 0 GHADHM Cc1c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822068023 607268781 /nfs/dbraw/zinc/26/87/81/607268781.db2.gz NTPTULMLZWVYIF-CQSZACIVSA-N -1 3 375.354 3.850 20 0 GHADHM Cc1c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822068023 607268782 /nfs/dbraw/zinc/26/87/82/607268782.db2.gz NTPTULMLZWVYIF-CQSZACIVSA-N -1 3 375.354 3.850 20 0 GHADHM Cc1c(NC(=O)c2cnc(-c3ccccc3F)s2)cccc1-c1nnn[n-]1 ZINC000822116568 607267476 /nfs/dbraw/zinc/26/74/76/607267476.db2.gz UBCHMMMPNGIYAT-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1c(NC(=O)c2cnc(-c3ccccc3F)s2)cccc1-c1nn[n-]n1 ZINC000822116568 607267477 /nfs/dbraw/zinc/26/74/77/607267477.db2.gz UBCHMMMPNGIYAT-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1c(NC(=O)CCc2ccccc2Br)cccc1-c1nnn[n-]1 ZINC000822065997 607269700 /nfs/dbraw/zinc/26/97/00/607269700.db2.gz DIGDLENSLMFVNT-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1c(NC(=O)CCc2ccccc2Br)cccc1-c1nn[n-]n1 ZINC000822065997 607269701 /nfs/dbraw/zinc/26/97/01/607269701.db2.gz DIGDLENSLMFVNT-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000736194294 599245345 /nfs/dbraw/zinc/24/53/45/599245345.db2.gz ZHSXKSVBYYBTKT-VIFPVBQESA-N -1 3 385.840 3.818 20 0 GHADHM C[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000736194294 599245347 /nfs/dbraw/zinc/24/53/47/599245347.db2.gz ZHSXKSVBYYBTKT-VIFPVBQESA-N -1 3 385.840 3.818 20 0 GHADHM CCN(c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821230156 599247397 /nfs/dbraw/zinc/24/73/97/599247397.db2.gz DAOCDBCBZKTMFU-OAHLLOKOSA-N -1 3 393.495 3.984 20 0 GHADHM CCN(c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821230156 599247398 /nfs/dbraw/zinc/24/73/98/599247398.db2.gz DAOCDBCBZKTMFU-OAHLLOKOSA-N -1 3 393.495 3.984 20 0 GHADHM Cc1c(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822084457 607280197 /nfs/dbraw/zinc/28/01/97/607280197.db2.gz KNMURDUALZDZHE-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1c(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822084457 607280198 /nfs/dbraw/zinc/28/01/98/607280198.db2.gz KNMURDUALZDZHE-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379720 599256771 /nfs/dbraw/zinc/25/67/71/599256771.db2.gz FELRMBOLJPNUFV-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379720 599256772 /nfs/dbraw/zinc/25/67/72/599256772.db2.gz FELRMBOLJPNUFV-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821127231 607286102 /nfs/dbraw/zinc/28/61/02/607286102.db2.gz DGCBSRRYCBSRTL-AWEZNQCLSA-N -1 3 380.452 3.847 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821127231 607286103 /nfs/dbraw/zinc/28/61/03/607286103.db2.gz DGCBSRRYCBSRTL-AWEZNQCLSA-N -1 3 380.452 3.847 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351629 599259005 /nfs/dbraw/zinc/25/90/05/599259005.db2.gz QISZHNIMMIUAPV-LIRRHRJNSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351629 599259007 /nfs/dbraw/zinc/25/90/07/599259007.db2.gz QISZHNIMMIUAPV-LIRRHRJNSA-N -1 3 396.470 3.633 20 0 GHADHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CCCCCCC1 ZINC000821569153 607299999 /nfs/dbraw/zinc/29/99/99/607299999.db2.gz AOHRTMSWMWGLHN-UHFFFAOYSA-N -1 3 398.511 3.547 20 0 GHADHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CCCCCCC1 ZINC000821569153 607300000 /nfs/dbraw/zinc/30/00/00/607300000.db2.gz AOHRTMSWMWGLHN-UHFFFAOYSA-N -1 3 398.511 3.547 20 0 GHADHM COc1ccc(Cl)cc1CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737098815 599260978 /nfs/dbraw/zinc/26/09/78/599260978.db2.gz FQYUHXOEYGTHLO-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM COc1ccc(Cl)cc1CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737098815 599260980 /nfs/dbraw/zinc/26/09/80/599260980.db2.gz FQYUHXOEYGTHLO-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000820919449 599263207 /nfs/dbraw/zinc/26/32/07/599263207.db2.gz CBBVWFFROCXUAQ-DNVCBOLYSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000820919449 599263211 /nfs/dbraw/zinc/26/32/11/599263211.db2.gz CBBVWFFROCXUAQ-DNVCBOLYSA-N -1 3 392.507 3.983 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000821406795 599264399 /nfs/dbraw/zinc/26/43/99/599264399.db2.gz KKUJCIPYWVVJKT-UHFFFAOYSA-N -1 3 384.484 3.700 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000821406795 599264402 /nfs/dbraw/zinc/26/44/02/599264402.db2.gz KKUJCIPYWVVJKT-UHFFFAOYSA-N -1 3 384.484 3.700 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000821406448 599264462 /nfs/dbraw/zinc/26/44/62/599264462.db2.gz FFGMXJLOXQUBHP-CYBMUJFWSA-N -1 3 398.492 3.568 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000821406448 599264465 /nfs/dbraw/zinc/26/44/65/599264465.db2.gz FFGMXJLOXQUBHP-CYBMUJFWSA-N -1 3 398.492 3.568 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(C2SCCS2)c1 ZINC000823756699 607311188 /nfs/dbraw/zinc/31/11/88/607311188.db2.gz FHGKVTQPHFJFDS-UHFFFAOYSA-N -1 3 395.517 3.605 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(C2SCCS2)c1 ZINC000823756699 607311189 /nfs/dbraw/zinc/31/11/89/607311189.db2.gz FHGKVTQPHFJFDS-UHFFFAOYSA-N -1 3 395.517 3.605 20 0 GHADHM FC(F)Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(OC(F)F)c1 ZINC000822736885 607313795 /nfs/dbraw/zinc/31/37/95/607313795.db2.gz LPXXASMRPIFFQV-UHFFFAOYSA-N -1 3 389.334 3.743 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820876201 599266135 /nfs/dbraw/zinc/26/61/35/599266135.db2.gz NHIGOZJVIDVHDA-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820876201 599266137 /nfs/dbraw/zinc/26/61/37/599266137.db2.gz NHIGOZJVIDVHDA-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819951568 607316903 /nfs/dbraw/zinc/31/69/03/607316903.db2.gz SWEAYZGWWKSXKG-VWLOTQADSA-N -1 3 375.523 3.588 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819951568 607316904 /nfs/dbraw/zinc/31/69/04/607316904.db2.gz SWEAYZGWWKSXKG-VWLOTQADSA-N -1 3 375.523 3.588 20 0 GHADHM O=C(Nc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)C1CCCCC1 ZINC000823368335 607318982 /nfs/dbraw/zinc/31/89/82/607318982.db2.gz UXLOOKQFBNMMPL-UHFFFAOYSA-N -1 3 376.464 3.998 20 0 GHADHM O=C(Nc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)C1CCCCC1 ZINC000823368335 607318983 /nfs/dbraw/zinc/31/89/83/607318983.db2.gz UXLOOKQFBNMMPL-UHFFFAOYSA-N -1 3 376.464 3.998 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000736488492 599277429 /nfs/dbraw/zinc/27/74/29/599277429.db2.gz SOOLKGYQETZBDX-UHFFFAOYSA-N -1 3 389.419 3.596 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000735904759 599277616 /nfs/dbraw/zinc/27/76/16/599277616.db2.gz AYEYEQRJJXHASV-OAHLLOKOSA-N -1 3 396.476 3.622 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000735904759 599277618 /nfs/dbraw/zinc/27/76/18/599277618.db2.gz AYEYEQRJJXHASV-OAHLLOKOSA-N -1 3 396.476 3.622 20 0 GHADHM CCCOc1cccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821134457 607318142 /nfs/dbraw/zinc/31/81/42/607318142.db2.gz VVBBUYOABKHLTB-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCCOc1cccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821134457 607318143 /nfs/dbraw/zinc/31/81/43/607318143.db2.gz VVBBUYOABKHLTB-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM c1cc(CSC2CCOCC2)cc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751530 607318225 /nfs/dbraw/zinc/31/82/25/607318225.db2.gz LIFHUBMLDJKYAQ-UHFFFAOYSA-N -1 3 381.505 3.891 20 0 GHADHM c1cc(CSC2CCOCC2)cc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823751530 607318226 /nfs/dbraw/zinc/31/82/26/607318226.db2.gz LIFHUBMLDJKYAQ-UHFFFAOYSA-N -1 3 381.505 3.891 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000737221246 599282752 /nfs/dbraw/zinc/28/27/52/599282752.db2.gz HIRSJUGUIXPQNQ-LJQANCHMSA-N -1 3 397.454 3.515 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380354 599282908 /nfs/dbraw/zinc/28/29/08/599282908.db2.gz QWHBIHAIZGBJPF-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380354 599282911 /nfs/dbraw/zinc/28/29/11/599282911.db2.gz QWHBIHAIZGBJPF-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM COC(=O)c1ccc2nc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)oc2c1 ZINC000736947542 599290275 /nfs/dbraw/zinc/29/02/75/599290275.db2.gz GVTKWVKAPPCDIP-SNVBAGLBSA-N -1 3 381.417 3.648 20 0 GHADHM COC(=O)c1ccc2nc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)oc2c1 ZINC000736947542 599290277 /nfs/dbraw/zinc/29/02/77/599290277.db2.gz GVTKWVKAPPCDIP-SNVBAGLBSA-N -1 3 381.417 3.648 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)cc1OC ZINC000821821597 607344835 /nfs/dbraw/zinc/34/48/35/607344835.db2.gz MOBWSPVIXFEXDJ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1OC ZINC000821821597 607344837 /nfs/dbraw/zinc/34/48/37/607344837.db2.gz MOBWSPVIXFEXDJ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CC(C)COCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735837908 598230988 /nfs/dbraw/zinc/23/09/88/598230988.db2.gz LHWOVSOVIIDDRQ-UHFFFAOYSA-N -1 3 381.436 3.660 20 0 GHADHM CC(C)COCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735837908 598230990 /nfs/dbraw/zinc/23/09/90/598230990.db2.gz LHWOVSOVIIDDRQ-UHFFFAOYSA-N -1 3 381.436 3.660 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CC1(Cl)Cl ZINC000738186019 598232990 /nfs/dbraw/zinc/23/29/90/598232990.db2.gz WLYJRGSDTVJBHK-CQSZACIVSA-N -1 3 390.230 3.791 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CC1(Cl)Cl ZINC000738186019 598232992 /nfs/dbraw/zinc/23/29/92/598232992.db2.gz WLYJRGSDTVJBHK-CQSZACIVSA-N -1 3 390.230 3.791 20 0 GHADHM CCc1csc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736697233 598243311 /nfs/dbraw/zinc/24/33/11/598243311.db2.gz BTWBSYFCWVJVRD-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736265187 598263756 /nfs/dbraw/zinc/26/37/56/598263756.db2.gz ZCVISIGCOHOUFO-CXAGYDPISA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736265187 598263758 /nfs/dbraw/zinc/26/37/58/598263758.db2.gz ZCVISIGCOHOUFO-CXAGYDPISA-N -1 3 378.436 3.969 20 0 GHADHM CC1CCC(C)(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736235382 598264174 /nfs/dbraw/zinc/26/41/74/598264174.db2.gz ADZKSNDVEXIFJN-UHFFFAOYSA-N -1 3 380.399 3.558 20 0 GHADHM CC1CCC(C)(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736235382 598264175 /nfs/dbraw/zinc/26/41/75/598264175.db2.gz ADZKSNDVEXIFJN-UHFFFAOYSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1nc(C)cs1 ZINC000736363093 598272981 /nfs/dbraw/zinc/27/29/81/598272981.db2.gz MKBRAKFSIJUWLN-MRXNPFEDSA-N -1 3 399.524 3.703 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1nc(C)cs1 ZINC000736363093 598272983 /nfs/dbraw/zinc/27/29/83/598272983.db2.gz MKBRAKFSIJUWLN-MRXNPFEDSA-N -1 3 399.524 3.703 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733307 598279011 /nfs/dbraw/zinc/27/90/11/598279011.db2.gz SLTVTERAWCEQBP-CYBMUJFWSA-N -1 3 393.344 3.705 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733307 598279013 /nfs/dbraw/zinc/27/90/13/598279013.db2.gz SLTVTERAWCEQBP-CYBMUJFWSA-N -1 3 393.344 3.705 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737463199 598282567 /nfs/dbraw/zinc/28/25/67/598282567.db2.gz MDOGJVLXBFYSOL-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737463199 598282568 /nfs/dbraw/zinc/28/25/68/598282568.db2.gz MDOGJVLXBFYSOL-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM CC(C)(C)c1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735654946 598282585 /nfs/dbraw/zinc/28/25/85/598282585.db2.gz LQNOBVWHLRQIRJ-UHFFFAOYSA-N -1 3 391.435 3.952 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736346205 598284354 /nfs/dbraw/zinc/28/43/54/598284354.db2.gz UVQBJOLOXHOBQF-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736346205 598284356 /nfs/dbraw/zinc/28/43/56/598284356.db2.gz UVQBJOLOXHOBQF-CQSZACIVSA-N -1 3 394.479 3.764 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736654460 598284751 /nfs/dbraw/zinc/28/47/51/598284751.db2.gz UMHHHOMQZOHOBE-GOSISDBHSA-N -1 3 394.479 3.558 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736654460 598284752 /nfs/dbraw/zinc/28/47/52/598284752.db2.gz UMHHHOMQZOHOBE-GOSISDBHSA-N -1 3 394.479 3.558 20 0 GHADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000735512463 598287952 /nfs/dbraw/zinc/28/79/52/598287952.db2.gz KKISNUQHTILPEN-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000735512463 598287953 /nfs/dbraw/zinc/28/79/53/598287953.db2.gz KKISNUQHTILPEN-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000736482232 598292416 /nfs/dbraw/zinc/29/24/16/598292416.db2.gz YOADNVOVACPKEV-UHFFFAOYSA-N -1 3 392.463 3.636 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000736482232 598292417 /nfs/dbraw/zinc/29/24/17/598292417.db2.gz YOADNVOVACPKEV-UHFFFAOYSA-N -1 3 392.463 3.636 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736325582 598297089 /nfs/dbraw/zinc/29/70/89/598297089.db2.gz FTWPXYUWXXTACY-FIFPYPGSSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736325582 598297090 /nfs/dbraw/zinc/29/70/90/598297090.db2.gz FTWPXYUWXXTACY-FIFPYPGSSA-N -1 3 391.475 3.716 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000735547678 598298228 /nfs/dbraw/zinc/29/82/28/598298228.db2.gz QIDPHKDSSNCKRX-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000735547678 598298230 /nfs/dbraw/zinc/29/82/30/598298230.db2.gz QIDPHKDSSNCKRX-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM O=C1[C@@H](S[C@H]2CCCc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297661 598316530 /nfs/dbraw/zinc/31/65/30/598316530.db2.gz TXZQRCVSCWGQPU-OALUTQOASA-N -1 3 391.500 3.783 20 0 GHADHM O=C1[C@@H](S[C@H]2CCCc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297661 598316532 /nfs/dbraw/zinc/31/65/32/598316532.db2.gz TXZQRCVSCWGQPU-OALUTQOASA-N -1 3 391.500 3.783 20 0 GHADHM S=C(NCc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400489 598319769 /nfs/dbraw/zinc/31/97/69/598319769.db2.gz DLKBRHMSSZJVKJ-UHFFFAOYSA-N -1 3 385.305 3.722 20 0 GHADHM S=C(NCc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400489 598319772 /nfs/dbraw/zinc/31/97/72/598319772.db2.gz DLKBRHMSSZJVKJ-UHFFFAOYSA-N -1 3 385.305 3.722 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736324938 598321488 /nfs/dbraw/zinc/32/14/88/598321488.db2.gz DCPDMOUYHHOHRB-RUMSDORHSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736324938 598321490 /nfs/dbraw/zinc/32/14/90/598321490.db2.gz DCPDMOUYHHOHRB-RUMSDORHSA-N -1 3 378.432 3.801 20 0 GHADHM COc1ccc(Cl)c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737097103 598322543 /nfs/dbraw/zinc/32/25/43/598322543.db2.gz IHYWKWVWHNSVBX-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM COc1ccc(Cl)c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737097103 598322545 /nfs/dbraw/zinc/32/25/45/598322545.db2.gz IHYWKWVWHNSVBX-UHFFFAOYSA-N -1 3 395.275 3.991 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccc2c(c1)CCCO2 ZINC000738408569 598324990 /nfs/dbraw/zinc/32/49/90/598324990.db2.gz MXWGTIRTLJMVIN-UHFFFAOYSA-N -1 3 386.868 3.654 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccc2c(c1)CCCO2 ZINC000738408569 598324992 /nfs/dbraw/zinc/32/49/92/598324992.db2.gz MXWGTIRTLJMVIN-UHFFFAOYSA-N -1 3 386.868 3.654 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000738400531 598325099 /nfs/dbraw/zinc/32/50/99/598325099.db2.gz GECZUUCDIWELRH-KCXRBIIJSA-N -1 3 388.928 3.727 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000738400531 598325100 /nfs/dbraw/zinc/32/51/00/598325100.db2.gz GECZUUCDIWELRH-KCXRBIIJSA-N -1 3 388.928 3.727 20 0 GHADHM CC(C)C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735788434 598325363 /nfs/dbraw/zinc/32/53/63/598325363.db2.gz ODACFPYPUNFWMY-GOSISDBHSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735788434 598325364 /nfs/dbraw/zinc/32/53/64/598325364.db2.gz ODACFPYPUNFWMY-GOSISDBHSA-N -1 3 382.443 3.592 20 0 GHADHM CN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCC(C(C)(C)C)CC1 ZINC000736739368 598326211 /nfs/dbraw/zinc/32/62/11/598326211.db2.gz MITXSOPVCBWMLI-UHFFFAOYSA-N -1 3 388.491 3.752 20 0 GHADHM CN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCC(C(C)(C)C)CC1 ZINC000736739368 598326214 /nfs/dbraw/zinc/32/62/14/598326214.db2.gz MITXSOPVCBWMLI-UHFFFAOYSA-N -1 3 388.491 3.752 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736204563 598327759 /nfs/dbraw/zinc/32/77/59/598327759.db2.gz RPYUDBZQJLNCCA-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736204563 598327760 /nfs/dbraw/zinc/32/77/60/598327760.db2.gz RPYUDBZQJLNCCA-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736390117 598358615 /nfs/dbraw/zinc/35/86/15/598358615.db2.gz GUHBQMKZFCPEDA-GOSISDBHSA-N -1 3 397.454 3.603 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736390117 598358617 /nfs/dbraw/zinc/35/86/17/598358617.db2.gz GUHBQMKZFCPEDA-GOSISDBHSA-N -1 3 397.454 3.603 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(COCC)c1 ZINC000736481745 598360375 /nfs/dbraw/zinc/36/03/75/598360375.db2.gz UNUGCLWSQUEDBD-UHFFFAOYSA-N -1 3 394.479 3.847 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(COCC)c1 ZINC000736481745 598360377 /nfs/dbraw/zinc/36/03/77/598360377.db2.gz UNUGCLWSQUEDBD-UHFFFAOYSA-N -1 3 394.479 3.847 20 0 GHADHM c1ccc(-c2noc([C@@H]3CCCCN3Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738426493 598375228 /nfs/dbraw/zinc/37/52/28/598375228.db2.gz RCDZPHVSJVSOLC-SFHVURJKSA-N -1 3 387.447 3.644 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000737291427 598380425 /nfs/dbraw/zinc/38/04/25/598380425.db2.gz LDVJASYIAIPEFA-IBGZPJMESA-N -1 3 377.448 3.814 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000737291427 598380426 /nfs/dbraw/zinc/38/04/26/598380426.db2.gz LDVJASYIAIPEFA-IBGZPJMESA-N -1 3 377.448 3.814 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000737294009 598380431 /nfs/dbraw/zinc/38/04/31/598380431.db2.gz JLBDSJHCUDOHKD-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000737294009 598380432 /nfs/dbraw/zinc/38/04/32/598380432.db2.gz JLBDSJHCUDOHKD-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736199779 598382616 /nfs/dbraw/zinc/38/26/16/598382616.db2.gz AJNVSYBNLRJRLD-ZDUSSCGKSA-N -1 3 396.882 3.684 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000737062399 598384311 /nfs/dbraw/zinc/38/43/11/598384311.db2.gz KITHVEUJOXDXBI-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000737062399 598384313 /nfs/dbraw/zinc/38/43/13/598384313.db2.gz KITHVEUJOXDXBI-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM CC(C)CC(=O)Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735755163 598392129 /nfs/dbraw/zinc/39/21/29/598392129.db2.gz CKUQTTSPAHNIOI-UHFFFAOYSA-N -1 3 385.859 3.512 20 0 GHADHM CC(C)CC(=O)Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735755163 598392131 /nfs/dbraw/zinc/39/21/31/598392131.db2.gz CKUQTTSPAHNIOI-UHFFFAOYSA-N -1 3 385.859 3.512 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502607 598395287 /nfs/dbraw/zinc/39/52/87/598395287.db2.gz ORPYGIUOLDLZQB-PNHOKKKMSA-N -1 3 391.475 3.589 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502607 598395288 /nfs/dbraw/zinc/39/52/88/598395288.db2.gz ORPYGIUOLDLZQB-PNHOKKKMSA-N -1 3 391.475 3.589 20 0 GHADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1C)c1cccc2ccccc21 ZINC000736505848 598396011 /nfs/dbraw/zinc/39/60/11/598396011.db2.gz SSEUPOSMEGWEPB-UHFFFAOYSA-N -1 3 387.443 3.760 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000736170189 598422287 /nfs/dbraw/zinc/42/22/87/598422287.db2.gz OJWXEUHIEASQLW-QWHCGFSZSA-N -1 3 393.472 3.726 20 0 GHADHM CCc1ccccc1NC(=S)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736701673 598431117 /nfs/dbraw/zinc/43/11/17/598431117.db2.gz GVSNGDCAQSLBSF-UHFFFAOYSA-N -1 3 398.561 3.649 20 0 GHADHM CCc1ccccc1NC(=S)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736701673 598431119 /nfs/dbraw/zinc/43/11/19/598431119.db2.gz GVSNGDCAQSLBSF-UHFFFAOYSA-N -1 3 398.561 3.649 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737151211 598433619 /nfs/dbraw/zinc/43/36/19/598433619.db2.gz AELRDMOAVJZKDC-LSDHHAIUSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737151211 598433621 /nfs/dbraw/zinc/43/36/21/598433621.db2.gz AELRDMOAVJZKDC-LSDHHAIUSA-N -1 3 380.448 3.748 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(c1nc2ccccc2s1)c1ccccc1 ZINC000738260398 598440293 /nfs/dbraw/zinc/44/02/93/598440293.db2.gz CWUCNHGARKRJIG-UHFFFAOYSA-N -1 3 399.439 3.850 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(c1nc2ccccc2s1)c1ccccc1 ZINC000738260398 598440294 /nfs/dbraw/zinc/44/02/94/598440294.db2.gz CWUCNHGARKRJIG-UHFFFAOYSA-N -1 3 399.439 3.850 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000591176243 598440393 /nfs/dbraw/zinc/44/03/93/598440393.db2.gz JEMBITMWIAZFJL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000591176243 598440394 /nfs/dbraw/zinc/44/03/94/598440394.db2.gz JEMBITMWIAZFJL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738189625 598449293 /nfs/dbraw/zinc/44/92/93/598449293.db2.gz IUHQCWNSDNZUGF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738189625 598449294 /nfs/dbraw/zinc/44/92/94/598449294.db2.gz IUHQCWNSDNZUGF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736425584 598452768 /nfs/dbraw/zinc/45/27/68/598452768.db2.gz IWGIDKHSIQHNMY-GOSISDBHSA-N -1 3 378.480 3.525 20 0 GHADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736425584 598452769 /nfs/dbraw/zinc/45/27/69/598452769.db2.gz IWGIDKHSIQHNMY-GOSISDBHSA-N -1 3 378.480 3.525 20 0 GHADHM O=C(N[C@@H]1CCCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738024325 598477006 /nfs/dbraw/zinc/47/70/06/598477006.db2.gz KMBIPPOGGJYJOG-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(N[C@@H]1CCCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738024325 598477007 /nfs/dbraw/zinc/47/70/07/598477007.db2.gz KMBIPPOGGJYJOG-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM Cc1cccc(OCCCCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737401250 598487359 /nfs/dbraw/zinc/48/73/59/598487359.db2.gz LSXNFYZLALJNBH-UHFFFAOYSA-N -1 3 396.495 3.919 20 0 GHADHM Cc1cccc(OCCCCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737401250 598487360 /nfs/dbraw/zinc/48/73/60/598487360.db2.gz LSXNFYZLALJNBH-UHFFFAOYSA-N -1 3 396.495 3.919 20 0 GHADHM CCSCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736667965 598488393 /nfs/dbraw/zinc/48/83/93/598488393.db2.gz VFGAIIFLOYJCJO-UHFFFAOYSA-N -1 3 384.509 3.929 20 0 GHADHM CCSCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736667965 598488395 /nfs/dbraw/zinc/48/83/95/598488395.db2.gz VFGAIIFLOYJCJO-UHFFFAOYSA-N -1 3 384.509 3.929 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000737196638 598494743 /nfs/dbraw/zinc/49/47/43/598494743.db2.gz VMXRZZAWBMBFQK-RZDIXWSQSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000737196638 598494745 /nfs/dbraw/zinc/49/47/45/598494745.db2.gz VMXRZZAWBMBFQK-RZDIXWSQSA-N -1 3 391.475 3.754 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737474127 598497006 /nfs/dbraw/zinc/49/70/06/598497006.db2.gz LQHBYLHXPGKIMB-UHFFFAOYSA-N -1 3 388.522 3.633 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737474127 598497007 /nfs/dbraw/zinc/49/70/07/598497007.db2.gz LQHBYLHXPGKIMB-UHFFFAOYSA-N -1 3 388.522 3.633 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736684643 598498262 /nfs/dbraw/zinc/49/82/62/598498262.db2.gz BYZMNIZKVLSPPR-LLVKDONJSA-N -1 3 386.839 3.800 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736684643 598498265 /nfs/dbraw/zinc/49/82/65/598498265.db2.gz BYZMNIZKVLSPPR-LLVKDONJSA-N -1 3 386.839 3.800 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737310195 598507428 /nfs/dbraw/zinc/50/74/28/598507428.db2.gz ZLOAMOBTKLWVAP-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737310195 598507429 /nfs/dbraw/zinc/50/74/29/598507429.db2.gz ZLOAMOBTKLWVAP-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111699 598514320 /nfs/dbraw/zinc/51/43/20/598514320.db2.gz JFHLVVDXRZDQPV-KBPBESRZSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111699 598514322 /nfs/dbraw/zinc/51/43/22/598514322.db2.gz JFHLVVDXRZDQPV-KBPBESRZSA-N -1 3 388.258 3.593 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(C(F)(F)F)nc2C)c1-c1nnn[n-]1 ZINC000736675728 598517348 /nfs/dbraw/zinc/51/73/48/598517348.db2.gz LDAJIUVHYWMWGX-UHFFFAOYSA-N -1 3 396.398 3.774 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(C(F)(F)F)nc2C)c1-c1nn[n-]n1 ZINC000736675728 598517350 /nfs/dbraw/zinc/51/73/50/598517350.db2.gz LDAJIUVHYWMWGX-UHFFFAOYSA-N -1 3 396.398 3.774 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737023406 598533459 /nfs/dbraw/zinc/53/34/59/598533459.db2.gz DXXLKVAYAKROPA-ROUUACIJSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737023406 598533461 /nfs/dbraw/zinc/53/34/61/598533461.db2.gz DXXLKVAYAKROPA-ROUUACIJSA-N -1 3 386.411 3.738 20 0 GHADHM CC(C)[C@H](C)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000735700378 598540207 /nfs/dbraw/zinc/54/02/07/598540207.db2.gz FYFRWNXZVDWQIK-AWEZNQCLSA-N -1 3 395.463 3.688 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c(C)o1 ZINC000737238933 598543919 /nfs/dbraw/zinc/54/39/19/598543919.db2.gz VCPSBLVAFVMYGD-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c(C)o1 ZINC000737238933 598543921 /nfs/dbraw/zinc/54/39/21/598543921.db2.gz VCPSBLVAFVMYGD-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737965715 598547215 /nfs/dbraw/zinc/54/72/15/598547215.db2.gz DXPDMRUZPLIYCI-UHFFFAOYSA-N -1 3 399.401 3.528 20 0 GHADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737965715 598547216 /nfs/dbraw/zinc/54/72/16/598547216.db2.gz DXPDMRUZPLIYCI-UHFFFAOYSA-N -1 3 399.401 3.528 20 0 GHADHM O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737960576 598556092 /nfs/dbraw/zinc/55/60/92/598556092.db2.gz XIFSNFUAACTUTO-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737960576 598556094 /nfs/dbraw/zinc/55/60/94/598556094.db2.gz XIFSNFUAACTUTO-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114976 598558852 /nfs/dbraw/zinc/55/88/52/598558852.db2.gz FNEFPPKQCIVEGH-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114976 598558854 /nfs/dbraw/zinc/55/88/54/598558854.db2.gz FNEFPPKQCIVEGH-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)NC1CCCCCCC1 ZINC000738144790 598560929 /nfs/dbraw/zinc/56/09/29/598560929.db2.gz FWMHSENOQBENRD-UHFFFAOYSA-N -1 3 380.399 3.703 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)NC1CCCCCCC1 ZINC000738144790 598560931 /nfs/dbraw/zinc/56/09/31/598560931.db2.gz FWMHSENOQBENRD-UHFFFAOYSA-N -1 3 380.399 3.703 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115657 598561428 /nfs/dbraw/zinc/56/14/28/598561428.db2.gz YYMRVNLXPDMXQM-GJZGRUSLSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115657 598561430 /nfs/dbraw/zinc/56/14/30/598561430.db2.gz YYMRVNLXPDMXQM-GJZGRUSLSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735963347 598564776 /nfs/dbraw/zinc/56/47/76/598564776.db2.gz DTGUNWNFRZETDZ-ZDUSSCGKSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735963347 598564777 /nfs/dbraw/zinc/56/47/77/598564777.db2.gz DTGUNWNFRZETDZ-ZDUSSCGKSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162936 598569158 /nfs/dbraw/zinc/56/91/58/598569158.db2.gz IEIRPKHAPJGQOZ-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738162936 598569159 /nfs/dbraw/zinc/56/91/59/598569159.db2.gz IEIRPKHAPJGQOZ-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738386438 598580857 /nfs/dbraw/zinc/58/08/57/598580857.db2.gz KYIHUQPQTUYPHY-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738386438 598580858 /nfs/dbraw/zinc/58/08/58/598580858.db2.gz KYIHUQPQTUYPHY-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM COc1cc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)ccc1SC ZINC000737046929 598593911 /nfs/dbraw/zinc/59/39/11/598593911.db2.gz HOIUPSQGELITOG-UHFFFAOYSA-N -1 3 392.868 3.838 20 0 GHADHM COc1cc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)ccc1SC ZINC000737046929 598593913 /nfs/dbraw/zinc/59/39/13/598593913.db2.gz HOIUPSQGELITOG-UHFFFAOYSA-N -1 3 392.868 3.838 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)c1cccs1 ZINC000738172491 598594262 /nfs/dbraw/zinc/59/42/62/598594262.db2.gz MYBLJGYQYOCSGY-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)c1cccs1 ZINC000738172491 598594264 /nfs/dbraw/zinc/59/42/64/598594264.db2.gz MYBLJGYQYOCSGY-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(CCCc2ccccc2)no1 ZINC000736167655 598610754 /nfs/dbraw/zinc/61/07/54/598610754.db2.gz GCCQMOPKEAOJPO-AWEZNQCLSA-N -1 3 376.420 3.565 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736190018 598612510 /nfs/dbraw/zinc/61/25/10/598612510.db2.gz VWVWCYBIHQQQQC-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736190018 598612512 /nfs/dbraw/zinc/61/25/12/598612512.db2.gz VWVWCYBIHQQQQC-NSHDSACASA-N -1 3 382.811 3.634 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000738165948 598634983 /nfs/dbraw/zinc/63/49/83/598634983.db2.gz ICGOQFOWLMFPRA-CQSZACIVSA-N -1 3 388.403 3.504 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000738165948 598634985 /nfs/dbraw/zinc/63/49/85/598634985.db2.gz ICGOQFOWLMFPRA-CQSZACIVSA-N -1 3 388.403 3.504 20 0 GHADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000737616234 598637841 /nfs/dbraw/zinc/63/78/41/598637841.db2.gz QAQGHAGJVUSUBA-INIZCTEOSA-N -1 3 383.818 3.594 20 0 GHADHM Cn1ccnc1[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000737616234 598637842 /nfs/dbraw/zinc/63/78/42/598637842.db2.gz QAQGHAGJVUSUBA-INIZCTEOSA-N -1 3 383.818 3.594 20 0 GHADHM CC(C)Cn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccco1 ZINC000735851428 598642634 /nfs/dbraw/zinc/64/26/34/598642634.db2.gz UJASJQVZRCNPFX-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM CC(C)Cn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000735851428 598642636 /nfs/dbraw/zinc/64/26/36/598642636.db2.gz UJASJQVZRCNPFX-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)cc1C ZINC000737287994 598643207 /nfs/dbraw/zinc/64/32/07/598643207.db2.gz GUWBNCVVURVHBG-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)cc1C ZINC000737287994 598643209 /nfs/dbraw/zinc/64/32/09/598643209.db2.gz GUWBNCVVURVHBG-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM CSc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737191466 598643489 /nfs/dbraw/zinc/64/34/89/598643489.db2.gz MYNGZHVIPPZVAO-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM CSc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737191466 598643490 /nfs/dbraw/zinc/64/34/90/598643490.db2.gz MYNGZHVIPPZVAO-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737651449 598644029 /nfs/dbraw/zinc/64/40/29/598644029.db2.gz XAXCVEILNBWJLF-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737651449 598644031 /nfs/dbraw/zinc/64/40/31/598644031.db2.gz XAXCVEILNBWJLF-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738162390 598644599 /nfs/dbraw/zinc/64/45/99/598644599.db2.gz DFCLSIMEKKSCHL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738162390 598644601 /nfs/dbraw/zinc/64/46/01/598644601.db2.gz DFCLSIMEKKSCHL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738165660 598645518 /nfs/dbraw/zinc/64/55/18/598645518.db2.gz KXSRRRHTAQCGEY-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738165660 598645520 /nfs/dbraw/zinc/64/55/20/598645520.db2.gz KXSRRRHTAQCGEY-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736048855 598646136 /nfs/dbraw/zinc/64/61/36/598646136.db2.gz WVKNNYNKLKFPAC-LLVKDONJSA-N -1 3 385.518 3.784 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736048855 598646138 /nfs/dbraw/zinc/64/61/38/598646138.db2.gz WVKNNYNKLKFPAC-LLVKDONJSA-N -1 3 385.518 3.784 20 0 GHADHM Cc1ccc(Cl)c(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737343410 598646822 /nfs/dbraw/zinc/64/68/22/598646822.db2.gz OUKDDIPIMIRHQD-UHFFFAOYSA-N -1 3 386.839 3.983 20 0 GHADHM Cc1ccc(Cl)c(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737343410 598646824 /nfs/dbraw/zinc/64/68/24/598646824.db2.gz OUKDDIPIMIRHQD-UHFFFAOYSA-N -1 3 386.839 3.983 20 0 GHADHM CC[C@@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736352188 598648120 /nfs/dbraw/zinc/64/81/20/598648120.db2.gz XIYDGMXRPNOYFJ-KRWDZBQOSA-N -1 3 393.491 3.726 20 0 GHADHM CC[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736352188 598648122 /nfs/dbraw/zinc/64/81/22/598648122.db2.gz XIYDGMXRPNOYFJ-KRWDZBQOSA-N -1 3 393.491 3.726 20 0 GHADHM C[C@@H](c1ccco1)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736203995 598654711 /nfs/dbraw/zinc/65/47/11/598654711.db2.gz PYRZLWUMPYTTKX-HNNXBMFYSA-N -1 3 395.463 3.761 20 0 GHADHM C[C@@H](c1ccco1)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736203995 598654712 /nfs/dbraw/zinc/65/47/12/598654712.db2.gz PYRZLWUMPYTTKX-HNNXBMFYSA-N -1 3 395.463 3.761 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc2scnc2c1 ZINC000737833087 598656557 /nfs/dbraw/zinc/65/65/57/598656557.db2.gz OGNWCNZFSPOYAB-UHFFFAOYSA-N -1 3 394.460 3.664 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc2scnc2c1 ZINC000737833087 598656559 /nfs/dbraw/zinc/65/65/59/598656559.db2.gz OGNWCNZFSPOYAB-UHFFFAOYSA-N -1 3 394.460 3.664 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cscn1 ZINC000737279792 598657323 /nfs/dbraw/zinc/65/73/23/598657323.db2.gz MZAUCMSMBXCSFE-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1noc(C)c1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737535682 598657420 /nfs/dbraw/zinc/65/74/20/598657420.db2.gz WHNXBVSMEHTCBN-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1noc(C)c1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737535682 598657421 /nfs/dbraw/zinc/65/74/21/598657421.db2.gz WHNXBVSMEHTCBN-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C1CC1)C1CC1 ZINC000736742100 598658294 /nfs/dbraw/zinc/65/82/94/598658294.db2.gz XNKJKEWGXBRWAO-UHFFFAOYSA-N -1 3 389.459 3.920 20 0 GHADHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C1CC1)C1CC1 ZINC000736742100 598658296 /nfs/dbraw/zinc/65/82/96/598658296.db2.gz XNKJKEWGXBRWAO-UHFFFAOYSA-N -1 3 389.459 3.920 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737448135 598659169 /nfs/dbraw/zinc/65/91/69/598659169.db2.gz LDMUSUNSFJCQRP-UHFFFAOYSA-N -1 3 391.456 3.837 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737448135 598659171 /nfs/dbraw/zinc/65/91/71/598659171.db2.gz LDMUSUNSFJCQRP-UHFFFAOYSA-N -1 3 391.456 3.837 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@H](c1ccccc1)C(F)(F)F ZINC000736733218 598661797 /nfs/dbraw/zinc/66/17/97/598661797.db2.gz PVKHJRWTUNYLHK-FMQWLBJXSA-N -1 3 387.365 3.642 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@H](c1ccccc1)C(F)(F)F ZINC000736733218 598661798 /nfs/dbraw/zinc/66/17/98/598661798.db2.gz PVKHJRWTUNYLHK-FMQWLBJXSA-N -1 3 387.365 3.642 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000738152081 598664350 /nfs/dbraw/zinc/66/43/50/598664350.db2.gz SFDDOAUKECFNFJ-UHFFFAOYSA-N -1 3 382.855 3.756 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000738152081 598664352 /nfs/dbraw/zinc/66/43/52/598664352.db2.gz SFDDOAUKECFNFJ-UHFFFAOYSA-N -1 3 382.855 3.756 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ccccc2)cn1 ZINC000737940375 598666759 /nfs/dbraw/zinc/66/67/59/598666759.db2.gz FLHQLSZQCDAFRP-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccccc2)cn1 ZINC000737940375 598666761 /nfs/dbraw/zinc/66/67/61/598666761.db2.gz FLHQLSZQCDAFRP-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM COc1ccccc1N1CCC(Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737152108 598668613 /nfs/dbraw/zinc/66/86/13/598668613.db2.gz HZNXCKMHVCWQBO-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM COc1ccccc1N1CCC(Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737152108 598668615 /nfs/dbraw/zinc/66/86/15/598668615.db2.gz HZNXCKMHVCWQBO-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)cc1Cl ZINC000737647009 598671210 /nfs/dbraw/zinc/67/12/10/598671210.db2.gz CADXKNZHYAPYCL-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)cc1Cl ZINC000737647009 598671212 /nfs/dbraw/zinc/67/12/12/598671212.db2.gz CADXKNZHYAPYCL-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM CCN(C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736501618 598696849 /nfs/dbraw/zinc/69/68/49/598696849.db2.gz GGMIUCFCKUBXMI-CYBMUJFWSA-N -1 3 385.468 3.681 20 0 GHADHM CCN(C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736501618 598696851 /nfs/dbraw/zinc/69/68/51/598696851.db2.gz GGMIUCFCKUBXMI-CYBMUJFWSA-N -1 3 385.468 3.681 20 0 GHADHM CCCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736438220 598698987 /nfs/dbraw/zinc/69/89/87/598698987.db2.gz NCJIEXBZAYECAM-IBGZPJMESA-N -1 3 394.479 3.606 20 0 GHADHM CCCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736438220 598698988 /nfs/dbraw/zinc/69/89/88/598698988.db2.gz NCJIEXBZAYECAM-IBGZPJMESA-N -1 3 394.479 3.606 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000737803030 598699440 /nfs/dbraw/zinc/69/94/40/598699440.db2.gz ZSGOOWQOXWOTMH-MDZDMXLPSA-N -1 3 391.450 3.500 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(Cc2ccccc2F)CC1 ZINC000737803030 598699442 /nfs/dbraw/zinc/69/94/42/598699442.db2.gz ZSGOOWQOXWOTMH-MDZDMXLPSA-N -1 3 391.450 3.500 20 0 GHADHM Cc1cc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1C(C)C ZINC000737279066 598701837 /nfs/dbraw/zinc/70/18/37/598701837.db2.gz NEWWHGSVJWEKTG-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM Cc1cc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1C(C)C ZINC000737279066 598701839 /nfs/dbraw/zinc/70/18/39/598701839.db2.gz NEWWHGSVJWEKTG-UHFFFAOYSA-N -1 3 384.411 3.560 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2ccc(F)cc2)CCCC1 ZINC000738232945 598703736 /nfs/dbraw/zinc/70/37/36/598703736.db2.gz XXXVARKTXOZVOW-UHFFFAOYSA-N -1 3 384.386 3.700 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2ccc(F)cc2)CCCC1 ZINC000738232945 598703738 /nfs/dbraw/zinc/70/37/38/598703738.db2.gz XXXVARKTXOZVOW-UHFFFAOYSA-N -1 3 384.386 3.700 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112530 598716674 /nfs/dbraw/zinc/71/66/74/598716674.db2.gz IZEARTLBSRKLSO-ZOCIIQOWSA-N -1 3 376.464 3.563 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112530 598716676 /nfs/dbraw/zinc/71/66/76/598716676.db2.gz IZEARTLBSRKLSO-ZOCIIQOWSA-N -1 3 376.464 3.563 20 0 GHADHM Clc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c2ncccc12 ZINC000737578251 598723222 /nfs/dbraw/zinc/72/32/22/598723222.db2.gz ZGUHOGKMZDOBQA-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM Clc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c2ncccc12 ZINC000737578251 598723223 /nfs/dbraw/zinc/72/32/23/598723223.db2.gz ZGUHOGKMZDOBQA-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505432 598736077 /nfs/dbraw/zinc/73/60/77/598736077.db2.gz NTEGWCHZNVSYJH-HNNXBMFYSA-N -1 3 388.475 3.809 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505432 598736078 /nfs/dbraw/zinc/73/60/78/598736078.db2.gz NTEGWCHZNVSYJH-HNNXBMFYSA-N -1 3 388.475 3.809 20 0 GHADHM CCCc1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736497064 598745148 /nfs/dbraw/zinc/74/51/48/598745148.db2.gz NLSSGIVRUWDKOG-UHFFFAOYSA-N -1 3 391.475 3.503 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3sccc3-c3nnn[n-]3)sc2C)s1 ZINC000737287018 598749167 /nfs/dbraw/zinc/74/91/67/598749167.db2.gz BSODXHISVISCEW-UHFFFAOYSA-N -1 3 388.503 3.982 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3sccc3-c3nn[n-]n3)sc2C)s1 ZINC000737287018 598749169 /nfs/dbraw/zinc/74/91/69/598749169.db2.gz BSODXHISVISCEW-UHFFFAOYSA-N -1 3 388.503 3.982 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736188850 598751379 /nfs/dbraw/zinc/75/13/79/598751379.db2.gz QQJPZTWLFGAOKO-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736188850 598751381 /nfs/dbraw/zinc/75/13/81/598751381.db2.gz QQJPZTWLFGAOKO-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737418468 598754793 /nfs/dbraw/zinc/75/47/93/598754793.db2.gz BANVBVPRIVBEGG-HXUWFJFHSA-N -1 3 395.532 3.922 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737418468 598754794 /nfs/dbraw/zinc/75/47/94/598754794.db2.gz BANVBVPRIVBEGG-HXUWFJFHSA-N -1 3 395.532 3.922 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736534232 598760403 /nfs/dbraw/zinc/76/04/03/598760403.db2.gz ITMSOYOWPSCGMR-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736534232 598760404 /nfs/dbraw/zinc/76/04/04/598760404.db2.gz ITMSOYOWPSCGMR-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736354234 598762814 /nfs/dbraw/zinc/76/28/14/598762814.db2.gz SFOIGSQBDKEVKK-SFHVURJKSA-N -1 3 375.476 3.627 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736354234 598762816 /nfs/dbraw/zinc/76/28/16/598762816.db2.gz SFOIGSQBDKEVKK-SFHVURJKSA-N -1 3 375.476 3.627 20 0 GHADHM CC(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)(c1ccccc1)c1ccccc1 ZINC000736116268 598768788 /nfs/dbraw/zinc/76/87/88/598768788.db2.gz MGBLXHOPSXCFNE-UHFFFAOYSA-N -1 3 384.443 3.952 20 0 GHADHM CC(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)(c1ccccc1)c1ccccc1 ZINC000736116268 598768790 /nfs/dbraw/zinc/76/87/90/598768790.db2.gz MGBLXHOPSXCFNE-UHFFFAOYSA-N -1 3 384.443 3.952 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736665375 598772463 /nfs/dbraw/zinc/77/24/63/598772463.db2.gz HFMZBYUHAGTCBA-CYBMUJFWSA-N -1 3 382.493 3.539 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736665375 598772466 /nfs/dbraw/zinc/77/24/66/598772466.db2.gz HFMZBYUHAGTCBA-CYBMUJFWSA-N -1 3 382.493 3.539 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820174669 607366817 /nfs/dbraw/zinc/36/68/17/607366817.db2.gz VOBKUMQILDJIHO-LLVKDONJSA-N -1 3 388.522 3.763 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820174669 607366819 /nfs/dbraw/zinc/36/68/19/607366819.db2.gz VOBKUMQILDJIHO-LLVKDONJSA-N -1 3 388.522 3.763 20 0 GHADHM CCCn1ccc2cc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000736502054 598781832 /nfs/dbraw/zinc/78/18/32/598781832.db2.gz JJPPFGRFBZUHFP-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM CCCn1ccc2cc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000736502054 598781834 /nfs/dbraw/zinc/78/18/34/598781834.db2.gz JJPPFGRFBZUHFP-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281825 598788767 /nfs/dbraw/zinc/78/87/67/598788767.db2.gz XSAZIACPQCCIEQ-BXUZGUMPSA-N -1 3 379.489 3.722 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281825 598788768 /nfs/dbraw/zinc/78/87/68/598788768.db2.gz XSAZIACPQCCIEQ-BXUZGUMPSA-N -1 3 379.489 3.722 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000737640726 598789715 /nfs/dbraw/zinc/78/97/15/598789715.db2.gz NLEDLRGPUDKPAW-UHFFFAOYSA-N -1 3 378.367 3.512 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000737640726 598789717 /nfs/dbraw/zinc/78/97/17/598789717.db2.gz NLEDLRGPUDKPAW-UHFFFAOYSA-N -1 3 378.367 3.512 20 0 GHADHM O=C(NC/C=C\c1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738051588 598792140 /nfs/dbraw/zinc/79/21/40/598792140.db2.gz OYZSFIUEGPFRTI-FLIBITNWSA-N -1 3 381.439 3.977 20 0 GHADHM O=C(NC/C=C\c1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738051588 598792141 /nfs/dbraw/zinc/79/21/41/598792141.db2.gz OYZSFIUEGPFRTI-FLIBITNWSA-N -1 3 381.439 3.977 20 0 GHADHM O=C(OCc1cccnc1Cl)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738235909 598799764 /nfs/dbraw/zinc/79/97/64/598799764.db2.gz YNDUWVHVSZAVFD-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1cccnc1Cl)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738235909 598799766 /nfs/dbraw/zinc/79/97/66/598799766.db2.gz YNDUWVHVSZAVFD-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737291478 598800799 /nfs/dbraw/zinc/80/07/99/598800799.db2.gz MOLROZZYIXTAHP-QGZVFWFLSA-N -1 3 384.390 3.822 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737291478 598800800 /nfs/dbraw/zinc/80/08/00/598800800.db2.gz MOLROZZYIXTAHP-QGZVFWFLSA-N -1 3 384.390 3.822 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736374330 598803840 /nfs/dbraw/zinc/80/38/40/598803840.db2.gz FELWMAMVHUVPAQ-IBGZPJMESA-N -1 3 395.463 3.731 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736374330 598803842 /nfs/dbraw/zinc/80/38/42/598803842.db2.gz FELWMAMVHUVPAQ-IBGZPJMESA-N -1 3 395.463 3.731 20 0 GHADHM CC[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)C ZINC000736333406 598816952 /nfs/dbraw/zinc/81/69/52/598816952.db2.gz PWQCMTRSHMFHJR-AWEZNQCLSA-N -1 3 384.509 3.925 20 0 GHADHM CC[C@@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)C ZINC000736333406 598816954 /nfs/dbraw/zinc/81/69/54/598816954.db2.gz PWQCMTRSHMFHJR-AWEZNQCLSA-N -1 3 384.509 3.925 20 0 GHADHM Cc1ccccc1-c1csc(=O)n1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737419367 598818916 /nfs/dbraw/zinc/81/89/16/598818916.db2.gz VUDOZUMXQIUAKN-UHFFFAOYSA-N -1 3 393.472 3.534 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738385707 599306354 /nfs/dbraw/zinc/30/63/54/599306354.db2.gz XWJUIYZSLSDIAR-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738385707 599306357 /nfs/dbraw/zinc/30/63/57/599306357.db2.gz XWJUIYZSLSDIAR-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737463678 599306543 /nfs/dbraw/zinc/30/65/43/599306543.db2.gz ZBZHLNTUXPSNTC-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737463678 599306545 /nfs/dbraw/zinc/30/65/45/599306545.db2.gz ZBZHLNTUXPSNTC-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502472 599309422 /nfs/dbraw/zinc/30/94/22/599309422.db2.gz NJQYLOLKHZHTNB-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502472 599309425 /nfs/dbraw/zinc/30/94/25/599309425.db2.gz NJQYLOLKHZHTNB-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc(-c2ccccc2C)no1 ZINC000821752182 607368104 /nfs/dbraw/zinc/36/81/04/607368104.db2.gz IBELAGCFBJDFHV-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(-c2ccccc2C)no1 ZINC000821752182 607368106 /nfs/dbraw/zinc/36/81/06/607368106.db2.gz IBELAGCFBJDFHV-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(Br)cs1 ZINC000736634520 599327565 /nfs/dbraw/zinc/32/75/65/599327565.db2.gz JRMGDFURUVXWOK-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(Br)cs1 ZINC000736634520 599327567 /nfs/dbraw/zinc/32/75/67/599327567.db2.gz JRMGDFURUVXWOK-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM C[C@H](SCC(=O)N[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191071 599328711 /nfs/dbraw/zinc/32/87/11/599328711.db2.gz VQLZQCSQXJFKPJ-LIRRHRJNSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@H](SCC(=O)N[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191071 599328713 /nfs/dbraw/zinc/32/87/13/599328713.db2.gz VQLZQCSQXJFKPJ-LIRRHRJNSA-N -1 3 393.516 3.855 20 0 GHADHM Cc1ccsc1S(=O)(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737443955 599332676 /nfs/dbraw/zinc/33/26/76/599332676.db2.gz ZGYTVASGPKFPDB-UHFFFAOYSA-N -1 3 398.469 3.671 20 0 GHADHM Cc1ccsc1S(=O)(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737443955 599332680 /nfs/dbraw/zinc/33/26/80/599332680.db2.gz ZGYTVASGPKFPDB-UHFFFAOYSA-N -1 3 398.469 3.671 20 0 GHADHM Cc1cc(C)cc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737249917 599333313 /nfs/dbraw/zinc/33/33/13/599333313.db2.gz FSBAMIOWUUHCNO-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1cc(C)cc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737249917 599333316 /nfs/dbraw/zinc/33/33/16/599333316.db2.gz FSBAMIOWUUHCNO-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1ccc(C)c(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737325777 599333489 /nfs/dbraw/zinc/33/34/89/599333489.db2.gz HZTKUPVIFYSMQC-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1ccc(C)c(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737325777 599333491 /nfs/dbraw/zinc/33/34/91/599333491.db2.gz HZTKUPVIFYSMQC-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737801032 599346749 /nfs/dbraw/zinc/34/67/49/599346749.db2.gz LJCMXQYSSTTXPD-QXMHVHEDSA-N -1 3 377.452 3.680 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737801032 599346750 /nfs/dbraw/zinc/34/67/50/599346750.db2.gz LJCMXQYSSTTXPD-QXMHVHEDSA-N -1 3 377.452 3.680 20 0 GHADHM CCOc1ccc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000821416789 599347283 /nfs/dbraw/zinc/34/72/83/599347283.db2.gz DMVLZVFSDNRQRE-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCOc1ccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000821416789 599347284 /nfs/dbraw/zinc/34/72/84/599347284.db2.gz DMVLZVFSDNRQRE-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCN(C(=O)Cc1cnc2ccccc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504151 599359081 /nfs/dbraw/zinc/35/90/81/599359081.db2.gz AJVORQUWCULZKX-OAHLLOKOSA-N -1 3 386.459 3.567 20 0 GHADHM CCN(C(=O)Cc1cnc2ccccc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504151 599359083 /nfs/dbraw/zinc/35/90/83/599359083.db2.gz AJVORQUWCULZKX-OAHLLOKOSA-N -1 3 386.459 3.567 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc(Cl)cn1 ZINC000738251074 599370529 /nfs/dbraw/zinc/37/05/29/599370529.db2.gz MQVDGHYRKQJCRU-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(Cl)cn1 ZINC000738251074 599370531 /nfs/dbraw/zinc/37/05/31/599370531.db2.gz MQVDGHYRKQJCRU-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM CSCC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737180351 599383343 /nfs/dbraw/zinc/38/33/43/599383343.db2.gz GEIYIODPSYSIGR-ZDUSSCGKSA-N -1 3 383.477 3.530 20 0 GHADHM CSCC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737180351 599383346 /nfs/dbraw/zinc/38/33/46/599383346.db2.gz GEIYIODPSYSIGR-ZDUSSCGKSA-N -1 3 383.477 3.530 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)O1 ZINC000820691503 599384715 /nfs/dbraw/zinc/38/47/15/599384715.db2.gz YBHMUIISBBQBNE-BBRMVZONSA-N -1 3 397.504 3.559 20 0 GHADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412591 599385960 /nfs/dbraw/zinc/38/59/60/599385960.db2.gz MCFHYSOQVMKZTL-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412591 599385964 /nfs/dbraw/zinc/38/59/64/599385964.db2.gz MCFHYSOQVMKZTL-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM Fc1ccc(OCCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737656124 599403076 /nfs/dbraw/zinc/40/30/76/599403076.db2.gz JHAYROOPBSMIPH-UHFFFAOYSA-N -1 3 378.411 3.825 20 0 GHADHM Fc1ccc(OCCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737656124 599403078 /nfs/dbraw/zinc/40/30/78/599403078.db2.gz JHAYROOPBSMIPH-UHFFFAOYSA-N -1 3 378.411 3.825 20 0 GHADHM CCCn1ccc2ccc(NC(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)cc21 ZINC000821147843 599411899 /nfs/dbraw/zinc/41/18/99/599411899.db2.gz JXZSQZYDYLVEDG-AWEZNQCLSA-N -1 3 390.447 3.637 20 0 GHADHM CCCn1ccc2ccc(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)cc21 ZINC000821147843 599411902 /nfs/dbraw/zinc/41/19/02/599411902.db2.gz JXZSQZYDYLVEDG-AWEZNQCLSA-N -1 3 390.447 3.637 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736325969 599412104 /nfs/dbraw/zinc/41/21/04/599412104.db2.gz LJJPMFYFIWXMJW-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736325969 599412107 /nfs/dbraw/zinc/41/21/07/599412107.db2.gz LJJPMFYFIWXMJW-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339232 599419847 /nfs/dbraw/zinc/41/98/47/599419847.db2.gz AIWSOHOAOLZLDN-PXAZEXFGSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339232 599419849 /nfs/dbraw/zinc/41/98/49/599419849.db2.gz AIWSOHOAOLZLDN-PXAZEXFGSA-N -1 3 382.855 3.738 20 0 GHADHM O=C(COC(=O)C1CCC(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415449 607377229 /nfs/dbraw/zinc/37/72/29/607377229.db2.gz GITBLYNLBBFTQI-UHFFFAOYSA-N -1 3 390.443 3.567 20 0 GHADHM O=C(COC(=O)C1CCC(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415449 607377232 /nfs/dbraw/zinc/37/72/32/607377232.db2.gz GITBLYNLBBFTQI-UHFFFAOYSA-N -1 3 390.443 3.567 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000737571264 599430530 /nfs/dbraw/zinc/43/05/30/599430530.db2.gz YVLKLPNWFRSXLK-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000737571264 599430532 /nfs/dbraw/zinc/43/05/32/599430532.db2.gz YVLKLPNWFRSXLK-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824162814 607377480 /nfs/dbraw/zinc/37/74/80/607377480.db2.gz OYZWJLOHTKPBPE-UHFFFAOYSA-N -1 3 398.850 3.515 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824162814 607377482 /nfs/dbraw/zinc/37/74/82/607377482.db2.gz OYZWJLOHTKPBPE-UHFFFAOYSA-N -1 3 398.850 3.515 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358818 599435908 /nfs/dbraw/zinc/43/59/08/599435908.db2.gz OXWGXPBWXANCFN-ORAYPTAESA-N -1 3 394.454 3.907 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358818 599435909 /nfs/dbraw/zinc/43/59/09/599435909.db2.gz OXWGXPBWXANCFN-ORAYPTAESA-N -1 3 394.454 3.907 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822350198 599439930 /nfs/dbraw/zinc/43/99/30/599439930.db2.gz BFWOJWQJSPPHRQ-BEFAXECRSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822350198 599439931 /nfs/dbraw/zinc/43/99/31/599439931.db2.gz BFWOJWQJSPPHRQ-BEFAXECRSA-N -1 3 378.480 3.933 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913852 599442967 /nfs/dbraw/zinc/44/29/67/599442967.db2.gz KWNGIFLUEJDBLB-SCLBCKFNSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913852 599442968 /nfs/dbraw/zinc/44/29/68/599442968.db2.gz KWNGIFLUEJDBLB-SCLBCKFNSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820684536 599444118 /nfs/dbraw/zinc/44/41/18/599444118.db2.gz RACBGMFAUUWJRB-UONOGXRCSA-N -1 3 396.520 3.925 20 0 GHADHM CC(C)(NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1 ZINC000735677511 599462064 /nfs/dbraw/zinc/46/20/64/599462064.db2.gz CRTOTGAHIVJEMP-UHFFFAOYSA-N -1 3 390.875 3.881 20 0 GHADHM CC(C)(NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1 ZINC000735677511 599462065 /nfs/dbraw/zinc/46/20/65/599462065.db2.gz CRTOTGAHIVJEMP-UHFFFAOYSA-N -1 3 390.875 3.881 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(SCC(C)(C)O)n2)o1 ZINC000737286991 599464286 /nfs/dbraw/zinc/46/42/86/599464286.db2.gz CELAYNDYIFJZJL-UHFFFAOYSA-N -1 3 399.398 3.712 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233424 599482094 /nfs/dbraw/zinc/48/20/94/599482094.db2.gz OPYYETZHKSWZAN-KXBFYZLASA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233424 599482095 /nfs/dbraw/zinc/48/20/95/599482095.db2.gz OPYYETZHKSWZAN-KXBFYZLASA-N -1 3 376.464 3.783 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820232154 607381228 /nfs/dbraw/zinc/38/12/28/607381228.db2.gz FDDNRKIGLVPTAL-QLJPJBMISA-N -1 3 395.360 3.949 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820232154 607381230 /nfs/dbraw/zinc/38/12/30/607381230.db2.gz FDDNRKIGLVPTAL-QLJPJBMISA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349314 599485648 /nfs/dbraw/zinc/48/56/48/599485648.db2.gz HJIDQVNDEUBKEV-XIKOKIGWSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349314 599485650 /nfs/dbraw/zinc/48/56/50/599485650.db2.gz HJIDQVNDEUBKEV-XIKOKIGWSA-N -1 3 398.417 3.753 20 0 GHADHM O=C(CCc1cc(Cl)cs1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737854409 599499549 /nfs/dbraw/zinc/49/95/49/599499549.db2.gz ZWNBFOHPIHDUHR-UHFFFAOYSA-N -1 3 392.868 3.527 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820233544 607381649 /nfs/dbraw/zinc/38/16/49/607381649.db2.gz KXZGGDPECUFZME-MGPLVRAMSA-N -1 3 395.360 3.949 20 0 GHADHM O=C(NCCCC1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738056147 599504257 /nfs/dbraw/zinc/50/42/57/599504257.db2.gz QOOJXYPBHALXFJ-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM O=C(NCCCC1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738056147 599504260 /nfs/dbraw/zinc/50/42/60/599504260.db2.gz QOOJXYPBHALXFJ-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM CSCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737183038 599504862 /nfs/dbraw/zinc/50/48/62/599504862.db2.gz TVBQFYDGCSQAIM-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM CSCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737183038 599504864 /nfs/dbraw/zinc/50/48/64/599504864.db2.gz TVBQFYDGCSQAIM-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc(OC)c1 ZINC000737045913 599522498 /nfs/dbraw/zinc/52/24/98/599522498.db2.gz SWWMRXAUGDBEML-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM Fc1ccc2ccc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000822786081 599527340 /nfs/dbraw/zinc/52/73/40/599527340.db2.gz CNHPPFYKOBBZLY-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCCO[C@H](c2ccccc2)C1 ZINC000822332385 599528642 /nfs/dbraw/zinc/52/86/42/599528642.db2.gz PJUUJWQCSNORQM-IBGZPJMESA-N -1 3 386.459 3.691 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCCO[C@H](c2ccccc2)C1 ZINC000822332385 599528644 /nfs/dbraw/zinc/52/86/44/599528644.db2.gz PJUUJWQCSNORQM-IBGZPJMESA-N -1 3 386.459 3.691 20 0 GHADHM Cc1ccc([C@H](C)CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737318958 599537621 /nfs/dbraw/zinc/53/76/21/599537621.db2.gz BUWZDEHCGSFTSI-GFCCVEGCSA-N -1 3 386.912 3.919 20 0 GHADHM Cc1ccc([C@H](C)CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737318958 599537622 /nfs/dbraw/zinc/53/76/22/599537622.db2.gz BUWZDEHCGSFTSI-GFCCVEGCSA-N -1 3 386.912 3.919 20 0 GHADHM CCCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000821127410 599546743 /nfs/dbraw/zinc/54/67/43/599546743.db2.gz HGBLBGVIKAEYAA-HNNXBMFYSA-N -1 3 384.459 3.648 20 0 GHADHM CCCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821127410 599546745 /nfs/dbraw/zinc/54/67/45/599546745.db2.gz HGBLBGVIKAEYAA-HNNXBMFYSA-N -1 3 384.459 3.648 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820683648 599546994 /nfs/dbraw/zinc/54/69/94/599546994.db2.gz FGDDJQAVTHMLRB-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820683648 599546995 /nfs/dbraw/zinc/54/69/95/599546995.db2.gz FGDDJQAVTHMLRB-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc(C2=CCN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)cc1 ZINC000822231822 599560038 /nfs/dbraw/zinc/56/00/38/599560038.db2.gz IOWQZUFBHPVCPH-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1ccc(C2=CCN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CC2)cc1 ZINC000822231822 599560039 /nfs/dbraw/zinc/56/00/39/599560039.db2.gz IOWQZUFBHPVCPH-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000737331753 599561237 /nfs/dbraw/zinc/56/12/37/599561237.db2.gz RMRDRIQJNYHAOZ-NVXWUHKLSA-N -1 3 395.463 3.679 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000737331753 599561239 /nfs/dbraw/zinc/56/12/39/599561239.db2.gz RMRDRIQJNYHAOZ-NVXWUHKLSA-N -1 3 395.463 3.679 20 0 GHADHM COc1cccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737141777 599562996 /nfs/dbraw/zinc/56/29/96/599562996.db2.gz YUOARCVFEFCBNB-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc2ccccc21 ZINC000821618063 599568630 /nfs/dbraw/zinc/56/86/30/599568630.db2.gz OTUXTCHDRQDYDH-UHFFFAOYSA-N -1 3 383.415 3.706 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc2ccccc21 ZINC000821618063 599568633 /nfs/dbraw/zinc/56/86/33/599568633.db2.gz OTUXTCHDRQDYDH-UHFFFAOYSA-N -1 3 383.415 3.706 20 0 GHADHM CC(C)N(Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820120781 599569310 /nfs/dbraw/zinc/56/93/10/599569310.db2.gz IXUYYDDAPXKVFL-UHFFFAOYSA-N -1 3 391.454 3.602 20 0 GHADHM CC[C@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)c1ccncc1 ZINC000820927007 599573918 /nfs/dbraw/zinc/57/39/18/599573918.db2.gz YNQSXJUCUCFTJS-HNNXBMFYSA-N -1 3 384.447 3.934 20 0 GHADHM CC[C@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)c1ccncc1 ZINC000820927007 599573921 /nfs/dbraw/zinc/57/39/21/599573921.db2.gz YNQSXJUCUCFTJS-HNNXBMFYSA-N -1 3 384.447 3.934 20 0 GHADHM C[C@@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)OC(C)(C)C ZINC000736137304 599598421 /nfs/dbraw/zinc/59/84/21/599598421.db2.gz LCXOEKPZPXKNLG-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OC(C)(C)C ZINC000736137304 599598423 /nfs/dbraw/zinc/59/84/23/599598423.db2.gz LCXOEKPZPXKNLG-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000735906299 599609768 /nfs/dbraw/zinc/60/97/68/599609768.db2.gz QVANFYMMOUIVNG-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CCCC2)CC1 ZINC000735906299 599609769 /nfs/dbraw/zinc/60/97/69/599609769.db2.gz QVANFYMMOUIVNG-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000736638065 599610128 /nfs/dbraw/zinc/61/01/28/599610128.db2.gz XNJPILADBADFSW-GFCCVEGCSA-N -1 3 396.426 3.556 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000736638065 599610129 /nfs/dbraw/zinc/61/01/29/599610129.db2.gz XNJPILADBADFSW-GFCCVEGCSA-N -1 3 396.426 3.556 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738165835 599612777 /nfs/dbraw/zinc/61/27/77/599612777.db2.gz FGRUFYKZVWDMSU-KBXCAEBGSA-N -1 3 380.427 3.539 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000738165835 599612779 /nfs/dbraw/zinc/61/27/79/599612779.db2.gz FGRUFYKZVWDMSU-KBXCAEBGSA-N -1 3 380.427 3.539 20 0 GHADHM CC[C@@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913477 599625737 /nfs/dbraw/zinc/62/57/37/599625737.db2.gz GOXJGQRWZBQMGE-SFHVURJKSA-N -1 3 382.489 3.664 20 0 GHADHM CC[C@@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913477 599625738 /nfs/dbraw/zinc/62/57/38/599625738.db2.gz GOXJGQRWZBQMGE-SFHVURJKSA-N -1 3 382.489 3.664 20 0 GHADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(F)(F)F ZINC000820513085 599627862 /nfs/dbraw/zinc/62/78/62/599627862.db2.gz UFUYGKMGORNEPE-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(F)(F)F ZINC000820513085 599627863 /nfs/dbraw/zinc/62/78/63/599627863.db2.gz UFUYGKMGORNEPE-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM C[C@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000820512524 599627954 /nfs/dbraw/zinc/62/79/54/599627954.db2.gz LUKGENBODMLNEC-NSHDSACASA-N -1 3 392.337 3.553 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000821859613 599628079 /nfs/dbraw/zinc/62/80/79/599628079.db2.gz RCSKNTUDLDNLKI-AUUYWEPGSA-N -1 3 396.447 3.583 20 0 GHADHM COc1cccc([C@@H](C)OC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000821859613 599628080 /nfs/dbraw/zinc/62/80/80/599628080.db2.gz RCSKNTUDLDNLKI-AUUYWEPGSA-N -1 3 396.447 3.583 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3cc(F)ccc3F)c2-c2nnn[n-]2)C1 ZINC000820727403 599628359 /nfs/dbraw/zinc/62/83/59/599628359.db2.gz LLVKLJPIPAMUGR-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3cc(F)ccc3F)c2-c2nn[n-]n2)C1 ZINC000820727403 599628360 /nfs/dbraw/zinc/62/83/60/599628360.db2.gz LLVKLJPIPAMUGR-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820938844 599628607 /nfs/dbraw/zinc/62/86/07/599628607.db2.gz NMVGKYKDLZLECF-OBJOEFQTSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820938844 599628608 /nfs/dbraw/zinc/62/86/08/599628608.db2.gz NMVGKYKDLZLECF-OBJOEFQTSA-N -1 3 389.525 3.729 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000819971428 599630147 /nfs/dbraw/zinc/63/01/47/599630147.db2.gz KSHNTOIDSMQKDQ-VGSWGCGISA-N -1 3 390.491 3.656 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000819971428 599630148 /nfs/dbraw/zinc/63/01/48/599630148.db2.gz KSHNTOIDSMQKDQ-VGSWGCGISA-N -1 3 390.491 3.656 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2SCCc3sccc32)c1-c1nnn[n-]1 ZINC000821465292 599630381 /nfs/dbraw/zinc/63/03/81/599630381.db2.gz FBRRFGUCPXAHAV-ZDUSSCGKSA-N -1 3 391.547 3.830 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2SCCc3sccc32)c1-c1nn[n-]n1 ZINC000821465292 599630382 /nfs/dbraw/zinc/63/03/82/599630382.db2.gz FBRRFGUCPXAHAV-ZDUSSCGKSA-N -1 3 391.547 3.830 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000821465104 599630466 /nfs/dbraw/zinc/63/04/66/599630466.db2.gz BFPGSIPNFYXOMJ-OXQOHEQNSA-N -1 3 379.489 3.723 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000821465104 599630467 /nfs/dbraw/zinc/63/04/67/599630467.db2.gz BFPGSIPNFYXOMJ-OXQOHEQNSA-N -1 3 379.489 3.723 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819891808 599632633 /nfs/dbraw/zinc/63/26/33/599632633.db2.gz HFGMAVJSSCXTIE-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819891808 599632634 /nfs/dbraw/zinc/63/26/34/599632634.db2.gz HFGMAVJSSCXTIE-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391117 599634265 /nfs/dbraw/zinc/63/42/65/599634265.db2.gz NIPJUVUVVOKUCU-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391117 599634266 /nfs/dbraw/zinc/63/42/66/599634266.db2.gz NIPJUVUVVOKUCU-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1ccc(F)nc1 ZINC000823357277 599635225 /nfs/dbraw/zinc/63/52/25/599635225.db2.gz SUFJTLCHTQTDME-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1ccc(F)nc1 ZINC000823357277 599635226 /nfs/dbraw/zinc/63/52/26/599635226.db2.gz SUFJTLCHTQTDME-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CC(C)(C)[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000819899232 599636324 /nfs/dbraw/zinc/63/63/24/599636324.db2.gz PVBBPEZCYBKGAR-SFHVURJKSA-N -1 3 389.463 3.794 20 0 GHADHM CC(C)(C)[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000819899232 599636325 /nfs/dbraw/zinc/63/63/25/599636325.db2.gz PVBBPEZCYBKGAR-SFHVURJKSA-N -1 3 389.463 3.794 20 0 GHADHM c1coc(CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc2)c1 ZINC000823787999 599638198 /nfs/dbraw/zinc/63/81/98/599638198.db2.gz SNKXVKGDFOXQSQ-UHFFFAOYSA-N -1 3 399.414 3.717 20 0 GHADHM c1coc(CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc2)c1 ZINC000823787999 599638199 /nfs/dbraw/zinc/63/81/99/599638199.db2.gz SNKXVKGDFOXQSQ-UHFFFAOYSA-N -1 3 399.414 3.717 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820920090 599648067 /nfs/dbraw/zinc/64/80/67/599648067.db2.gz KIIAXQHNZRHGGL-JTQLQIEISA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820920090 599648068 /nfs/dbraw/zinc/64/80/68/599648068.db2.gz KIIAXQHNZRHGGL-JTQLQIEISA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(C(F)(F)F)cs1 ZINC000820919893 599648227 /nfs/dbraw/zinc/64/82/27/599648227.db2.gz HDLVBZFFDQMAQA-JTQLQIEISA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(C(F)(F)F)cs1 ZINC000820919893 599648228 /nfs/dbraw/zinc/64/82/28/599648228.db2.gz HDLVBZFFDQMAQA-JTQLQIEISA-N -1 3 397.386 3.615 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351460 599673815 /nfs/dbraw/zinc/67/38/15/599673815.db2.gz PHLMWTWCRSKBIV-OAHLLOKOSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351460 599673816 /nfs/dbraw/zinc/67/38/16/599673816.db2.gz PHLMWTWCRSKBIV-OAHLLOKOSA-N -1 3 378.480 3.638 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822233806 599678767 /nfs/dbraw/zinc/67/87/67/599678767.db2.gz VKOLGSBSCOOKPN-QGZVFWFLSA-N -1 3 398.442 3.734 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822233806 599678768 /nfs/dbraw/zinc/67/87/68/599678768.db2.gz VKOLGSBSCOOKPN-QGZVFWFLSA-N -1 3 398.442 3.734 20 0 GHADHM CCN(Cc1nc([C@H](C)OCC(C)C)no1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230770 599683783 /nfs/dbraw/zinc/68/37/83/599683783.db2.gz QUNWLMOAKXXLQK-GJZGRUSLSA-N -1 3 399.499 3.566 20 0 GHADHM CCN(Cc1nc([C@H](C)OCC(C)C)no1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230770 599683784 /nfs/dbraw/zinc/68/37/84/599683784.db2.gz QUNWLMOAKXXLQK-GJZGRUSLSA-N -1 3 399.499 3.566 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000822400212 607394379 /nfs/dbraw/zinc/39/43/79/607394379.db2.gz ZUOIGAMCKBCIQX-BQYQJAHWSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000822400212 607394381 /nfs/dbraw/zinc/39/43/81/607394381.db2.gz ZUOIGAMCKBCIQX-BQYQJAHWSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826252910 607401818 /nfs/dbraw/zinc/40/18/18/607401818.db2.gz XQNBHJOHRAHOHU-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826252910 607401819 /nfs/dbraw/zinc/40/18/19/607401819.db2.gz XQNBHJOHRAHOHU-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000738200730 599880864 /nfs/dbraw/zinc/88/08/64/599880864.db2.gz IOEMERFNDDVXEQ-GOSISDBHSA-N -1 3 387.505 3.808 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822010080 607404299 /nfs/dbraw/zinc/40/42/99/607404299.db2.gz MIIYTCHXKGOZER-UHFFFAOYSA-N -1 3 376.420 3.696 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822010080 607404300 /nfs/dbraw/zinc/40/43/00/607404300.db2.gz MIIYTCHXKGOZER-UHFFFAOYSA-N -1 3 376.420 3.696 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738709050 600008456 /nfs/dbraw/zinc/00/84/56/600008456.db2.gz PHBFVPORDPHSDD-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000740227100 600014578 /nfs/dbraw/zinc/01/45/78/600014578.db2.gz MWAYMJDYGVEXBU-HXUWFJFHSA-N -1 3 389.879 3.863 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824762303 607419270 /nfs/dbraw/zinc/41/92/70/607419270.db2.gz FQUYDSPFFJRDRT-GFCCVEGCSA-N -1 3 399.907 3.806 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824762303 607419271 /nfs/dbraw/zinc/41/92/71/607419271.db2.gz FQUYDSPFFJRDRT-GFCCVEGCSA-N -1 3 399.907 3.806 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1-c1nnn[n-]1 ZINC000820164916 607432564 /nfs/dbraw/zinc/43/25/64/607432564.db2.gz NFQIJYYUHMDBGV-CYBMUJFWSA-N -1 3 396.451 3.584 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1-c1nn[n-]n1 ZINC000820164916 607432566 /nfs/dbraw/zinc/43/25/66/607432566.db2.gz NFQIJYYUHMDBGV-CYBMUJFWSA-N -1 3 396.451 3.584 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000738560998 600388873 /nfs/dbraw/zinc/38/88/73/600388873.db2.gz OLSXJSNAJASCNX-LJQANCHMSA-N -1 3 385.439 3.791 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000738761280 600433909 /nfs/dbraw/zinc/43/39/09/600433909.db2.gz RVLLRAAAKYAHMJ-WMZOPIPTSA-N -1 3 381.476 3.579 20 0 GHADHM Cc1ccc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000822238905 607446549 /nfs/dbraw/zinc/44/65/49/607446549.db2.gz ZGLSSCFOMWOBAJ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000822238905 607446550 /nfs/dbraw/zinc/44/65/50/607446550.db2.gz ZGLSSCFOMWOBAJ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C([O-])c1cc2ccccc2cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000739216200 600528297 /nfs/dbraw/zinc/52/82/97/600528297.db2.gz KJONVMZAPPBALQ-UHFFFAOYSA-N -1 3 382.460 3.512 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3OC)co2)cc1 ZINC000821400124 607461237 /nfs/dbraw/zinc/46/12/37/607461237.db2.gz FGJPCTYWSRVMOM-UHFFFAOYSA-N -1 3 393.403 3.508 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3OC)co2)cc1 ZINC000821400124 607461238 /nfs/dbraw/zinc/46/12/38/607461238.db2.gz FGJPCTYWSRVMOM-UHFFFAOYSA-N -1 3 393.403 3.508 20 0 GHADHM CN([C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000830656016 601000550 /nfs/dbraw/zinc/00/05/50/601000550.db2.gz SFPCSFZSUUORQS-GUYCJALGSA-N -1 3 395.290 3.510 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000826053135 601202749 /nfs/dbraw/zinc/20/27/49/601202749.db2.gz IKSKKPSHYVAXNN-PIGZYNQJSA-N -1 3 381.259 3.984 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cnc(C(C)C)s1 ZINC000821389378 607496580 /nfs/dbraw/zinc/49/65/80/607496580.db2.gz KXTZOGKWPKJXRV-UHFFFAOYSA-N -1 3 393.856 3.718 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cnc(C(C)C)s1 ZINC000821389378 607496583 /nfs/dbraw/zinc/49/65/83/607496583.db2.gz KXTZOGKWPKJXRV-UHFFFAOYSA-N -1 3 393.856 3.718 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294574 607497862 /nfs/dbraw/zinc/49/78/62/607497862.db2.gz UXKZIPBISRBCGW-HUUCEWRRSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294574 607497864 /nfs/dbraw/zinc/49/78/64/607497864.db2.gz UXKZIPBISRBCGW-HUUCEWRRSA-N -1 3 381.505 3.613 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000820628694 607499930 /nfs/dbraw/zinc/49/99/30/607499930.db2.gz LMQLEENPABTMKK-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000820628694 607499932 /nfs/dbraw/zinc/49/99/32/607499932.db2.gz LMQLEENPABTMKK-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000823478067 607507255 /nfs/dbraw/zinc/50/72/55/607507255.db2.gz FKCVDMCVRNYEPY-UHFFFAOYSA-N -1 3 399.907 3.917 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000823478067 607507257 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3.982 20 0 GHADHM CC(=O)c1cc(Br)c(F)cc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824010432 607532193 /nfs/dbraw/zinc/53/21/93/607532193.db2.gz NHQYMNSWKBPEAS-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)c(F)cc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824010432 607532195 /nfs/dbraw/zinc/53/21/95/607532195.db2.gz NHQYMNSWKBPEAS-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM C[C@H](CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000827449483 601917836 /nfs/dbraw/zinc/91/78/36/601917836.db2.gz LDKBSZHUNVOEHP-PXAZEXFGSA-N -1 3 399.318 3.842 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(Cn2cncn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833166908 601971918 /nfs/dbraw/zinc/97/19/18/601971918.db2.gz WNSMRLSANGCYSV-QGZVFWFLSA-N -1 3 391.258 3.549 20 0 GHADHM COc1ccccc1[C@@H](CNCc1cnc(-c2ccccc2)s1)NC(=O)[O-] ZINC000739965019 602050356 /nfs/dbraw/zinc/05/03/56/602050356.db2.gz UVJWXDCECMVYNI-QGZVFWFLSA-N -1 3 383.473 3.917 20 0 GHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000828672442 602219263 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398.463 3.744 20 0 GHADHM CSc1cccc(N(C(=O)CCC(C)(C)NC(=O)[O-])C2CCN(C)CC2)c1 ZINC000740022651 602806951 /nfs/dbraw/zinc/80/69/51/602806951.db2.gz JUBYTQLFPLOXMT-UHFFFAOYSA-N -1 3 393.553 3.662 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccsc1 ZINC000827034440 603326478 /nfs/dbraw/zinc/32/64/78/603326478.db2.gz AQXHWTVJILJWEA-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(OCc2cccnc2)cc1 ZINC000825503416 603534784 /nfs/dbraw/zinc/53/47/84/603534784.db2.gz SXALVEWLUZGQND-HNNXBMFYSA-N -1 3 378.432 3.996 20 0 GHADHM OCCC[C@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826508889 607635931 /nfs/dbraw/zinc/63/59/31/607635931.db2.gz FLEQOYORJZTXIH-INIZCTEOSA-N -1 3 377.370 3.811 20 0 GHADHM OCCC[C@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826508889 607635933 /nfs/dbraw/zinc/63/59/33/607635933.db2.gz FLEQOYORJZTXIH-INIZCTEOSA-N -1 3 377.370 3.811 20 0 GHADHM CC(C)(NC(=O)c1ccccc1)c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824168118 607643778 /nfs/dbraw/zinc/64/37/78/607643778.db2.gz XTKVKKCXXHSCLO-UHFFFAOYSA-N -1 3 390.472 3.655 20 0 GHADHM CC(C)(NC(=O)c1ccccc1)c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824168118 607643780 /nfs/dbraw/zinc/64/37/80/607643780.db2.gz XTKVKKCXXHSCLO-UHFFFAOYSA-N -1 3 390.472 3.655 20 0 GHADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000827975870 603734156 /nfs/dbraw/zinc/73/41/56/603734156.db2.gz PUFJHZCVOLYDNF-WMZOPIPTSA-N -1 3 391.537 3.815 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)cs1 ZINC000826322197 607654025 /nfs/dbraw/zinc/65/40/25/607654025.db2.gz CEEOLZLERIXTOJ-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)cs1 ZINC000826322197 607654026 /nfs/dbraw/zinc/65/40/26/607654026.db2.gz CEEOLZLERIXTOJ-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1sc2nc(C)nc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)c2c1C ZINC000826327419 607655806 /nfs/dbraw/zinc/65/58/06/607655806.db2.gz GVJRNZXLACMNFM-UHFFFAOYSA-N -1 3 396.501 3.772 20 0 GHADHM Cc1sc2nc(C)nc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)c2c1C ZINC000826327419 607655809 /nfs/dbraw/zinc/65/58/09/607655809.db2.gz GVJRNZXLACMNFM-UHFFFAOYSA-N -1 3 396.501 3.772 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826250228 607675353 /nfs/dbraw/zinc/67/53/53/607675353.db2.gz QEGZRWJRAGRBQB-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826250228 607675355 /nfs/dbraw/zinc/67/53/55/607675355.db2.gz QEGZRWJRAGRBQB-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824114105 607682719 /nfs/dbraw/zinc/68/27/19/607682719.db2.gz IUCLRDPTAZFURS-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824114105 607682720 /nfs/dbraw/zinc/68/27/20/607682720.db2.gz IUCLRDPTAZFURS-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832310904 604319213 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C[C@]1(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833569213 604813379 /nfs/dbraw/zinc/81/33/79/604813379.db2.gz KKTFCBBJOYVZIK-GUYCJALGSA-N -1 3 383.370 3.879 20 0 GHADHM C[C@H]1C[C@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000833595447 604830329 /nfs/dbraw/zinc/83/03/29/604830329.db2.gz FOGDVKLQIGPINI-GXTWGEPZSA-N -1 3 379.913 3.984 20 0 GHADHM Cc1c([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000829859559 604943197 /nfs/dbraw/zinc/94/31/97/604943197.db2.gz OEQRDCPUGKEHLS-MRXNPFEDSA-N -1 3 378.476 3.842 20 0 GHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000827717750 604994552 /nfs/dbraw/zinc/99/45/52/604994552.db2.gz LQNCQADXCKOLOG-VBKZILBWSA-N -1 3 393.418 3.950 20 0 GHADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000825503363 605118516 /nfs/dbraw/zinc/11/85/16/605118516.db2.gz RNLDYLQPMKBOQQ-GJZGRUSLSA-N -1 3 383.448 3.823 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000826354197 607737444 /nfs/dbraw/zinc/73/74/44/607737444.db2.gz SQGVFDMFSLETHY-AWEZNQCLSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000826354197 607737445 /nfs/dbraw/zinc/73/74/45/607737445.db2.gz SQGVFDMFSLETHY-AWEZNQCLSA-N -1 3 392.850 3.726 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826368251 607738520 /nfs/dbraw/zinc/73/85/20/607738520.db2.gz JAHZHGNNIAULBB-UHFFFAOYSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(C3CCOCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826368251 607738521 /nfs/dbraw/zinc/73/85/21/607738521.db2.gz JAHZHGNNIAULBB-UHFFFAOYSA-N -1 3 381.402 3.529 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000833414668 605180137 /nfs/dbraw/zinc/18/01/37/605180137.db2.gz SRPXANZOFAZQRK-SXYIGIQMSA-N -1 3 384.520 3.513 20 0 GHADHM FC(F)(F)c1csc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000826368884 607739230 /nfs/dbraw/zinc/73/92/30/607739230.db2.gz DYZIUVOJVWJFCB-UHFFFAOYSA-N -1 3 380.399 3.507 20 0 GHADHM FC(F)(F)c1csc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000826368884 607739231 /nfs/dbraw/zinc/73/92/31/607739231.db2.gz DYZIUVOJVWJFCB-UHFFFAOYSA-N -1 3 380.399 3.507 20 0 GHADHM Cc1nc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(C)s1 ZINC000826323627 607741583 /nfs/dbraw/zinc/74/15/83/607741583.db2.gz LKMHVCOHBYHJIX-UHFFFAOYSA-N -1 3 396.501 3.599 20 0 GHADHM CC(=O)N1CC[C@@H](N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c2ccccc21 ZINC000833392719 605261342 /nfs/dbraw/zinc/26/13/42/605261342.db2.gz FDDFUWKRGZHDQM-AEFFLSMTSA-N -1 3 392.377 3.919 20 0 GHADHM CCCN(CC(=O)Nc1c(Cl)cccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000826896678 605478484 /nfs/dbraw/zinc/47/84/84/605478484.db2.gz ATTLGXNHVKNCFN-UHFFFAOYSA-N -1 3 388.295 3.786 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000824319415 607761513 /nfs/dbraw/zinc/76/15/13/607761513.db2.gz PCSNTGUQMYZGQZ-QGZVFWFLSA-N -1 3 396.426 3.772 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000824319415 607761514 /nfs/dbraw/zinc/76/15/14/607761514.db2.gz PCSNTGUQMYZGQZ-QGZVFWFLSA-N -1 3 396.426 3.772 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000825620500 607762014 /nfs/dbraw/zinc/76/20/14/607762014.db2.gz CHYXPKYEPMUDBI-MRXNPFEDSA-N -1 3 398.854 3.898 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000825620500 607762015 /nfs/dbraw/zinc/76/20/15/607762015.db2.gz CHYXPKYEPMUDBI-MRXNPFEDSA-N -1 3 398.854 3.898 20 0 GHADHM CCc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825733370 607768858 /nfs/dbraw/zinc/76/88/58/607768858.db2.gz DOUKXQZUIKVPMG-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825733370 607768859 /nfs/dbraw/zinc/76/88/59/607768859.db2.gz DOUKXQZUIKVPMG-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(Cl)cc1 ZINC000826459527 607770703 /nfs/dbraw/zinc/77/07/03/607770703.db2.gz NFAXZMMSLYCDBZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(Cl)cc1 ZINC000826459527 607770704 /nfs/dbraw/zinc/77/07/04/607770704.db2.gz NFAXZMMSLYCDBZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826473749 607771687 /nfs/dbraw/zinc/77/16/87/607771687.db2.gz MMMMSSNWFLZMMT-FQEVSTJZSA-N -1 3 375.476 3.884 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826473749 607771688 /nfs/dbraw/zinc/77/16/88/607771688.db2.gz MMMMSSNWFLZMMT-FQEVSTJZSA-N -1 3 375.476 3.884 20 0 GHADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3=O)cc2)c2ccccc21 ZINC000834157061 605794355 /nfs/dbraw/zinc/79/43/55/605794355.db2.gz FLJBDBYQVKVJPF-WOJBJXKFSA-N -1 3 379.460 3.747 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000833694920 605838590 /nfs/dbraw/zinc/83/85/90/605838590.db2.gz UWGKEOIBJDNONH-UHFFFAOYSA-N -1 3 382.888 3.870 20 0 GHADHM O=C(NCc1ccc[nH]1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823253877 606024503 /nfs/dbraw/zinc/02/45/03/606024503.db2.gz NQGJIZCLQWYUAE-UHFFFAOYSA-N -1 3 394.822 3.571 20 0 GHADHM O=C(NCc1ccc[nH]1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823253877 606024507 /nfs/dbraw/zinc/02/45/07/606024507.db2.gz NQGJIZCLQWYUAE-UHFFFAOYSA-N -1 3 394.822 3.571 20 0 GHADHM CCO[C@H](CCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)C ZINC000821350631 606030164 /nfs/dbraw/zinc/03/01/64/606030164.db2.gz ADNINABWHIIITM-HXUWFJFHSA-N -1 3 393.491 3.715 20 0 GHADHM CCO[C@H](CCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C(C)C ZINC000821350631 606030167 /nfs/dbraw/zinc/03/01/67/606030167.db2.gz ADNINABWHIIITM-HXUWFJFHSA-N -1 3 393.491 3.715 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821431774 606033296 /nfs/dbraw/zinc/03/32/96/606033296.db2.gz ZLADUIGAIDGWNT-IBGZPJMESA-N -1 3 393.491 3.712 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821431774 606033301 /nfs/dbraw/zinc/03/33/01/606033301.db2.gz ZLADUIGAIDGWNT-IBGZPJMESA-N -1 3 393.491 3.712 20 0 GHADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1cccnc1 ZINC000819877006 606050980 /nfs/dbraw/zinc/05/09/80/606050980.db2.gz MTCQBDVBDNHADR-GFCCVEGCSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1cccnc1 ZINC000819877006 606050986 /nfs/dbraw/zinc/05/09/86/606050986.db2.gz MTCQBDVBDNHADR-GFCCVEGCSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819854276 606102562 /nfs/dbraw/zinc/10/25/62/606102562.db2.gz BXXSRGVGGFQUSQ-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819854276 606102563 /nfs/dbraw/zinc/10/25/63/606102563.db2.gz BXXSRGVGGFQUSQ-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM Fc1ccccc1OC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000822796732 606104624 /nfs/dbraw/zinc/10/46/24/606104624.db2.gz XBXBOUVYGNVLMR-QGZVFWFLSA-N -1 3 376.395 3.633 20 0 GHADHM Fc1ccccc1OC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000822796732 606104627 /nfs/dbraw/zinc/10/46/27/606104627.db2.gz XBXBOUVYGNVLMR-QGZVFWFLSA-N -1 3 376.395 3.633 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc2n[nH]cc2c1 ZINC000823356457 606109146 /nfs/dbraw/zinc/10/91/46/606109146.db2.gz MHCMQAKYGKZULV-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc2n[nH]cc2c1 ZINC000823356457 606109149 /nfs/dbraw/zinc/10/91/49/606109149.db2.gz MHCMQAKYGKZULV-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2Cc3ccccc3[C@H]2C)c1-c1nnn[n-]1 ZINC000821990549 606110788 /nfs/dbraw/zinc/11/07/88/606110788.db2.gz UKJLQQNAIYYJLF-LLVKDONJSA-N -1 3 392.488 3.578 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823493232 606121042 /nfs/dbraw/zinc/12/10/42/606121042.db2.gz JBMPJYXXJIUIRN-QZTJIDSGSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823493232 606121043 /nfs/dbraw/zinc/12/10/43/606121043.db2.gz JBMPJYXXJIUIRN-QZTJIDSGSA-N -1 3 389.459 3.921 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822279605 606122431 /nfs/dbraw/zinc/12/24/31/606122431.db2.gz CEESCZLLWWSDKW-UHFFFAOYSA-N -1 3 398.470 3.873 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822279605 606122433 /nfs/dbraw/zinc/12/24/33/606122433.db2.gz CEESCZLLWWSDKW-UHFFFAOYSA-N -1 3 398.470 3.873 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C/C=C\c1cccc(F)c1 ZINC000821699192 606123305 /nfs/dbraw/zinc/12/33/05/606123305.db2.gz FWPAMUQPWOATDQ-HYXAFXHYSA-N -1 3 388.786 3.677 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C/C=C\c1cccc(F)c1 ZINC000821699192 606123307 /nfs/dbraw/zinc/12/33/07/606123307.db2.gz FWPAMUQPWOATDQ-HYXAFXHYSA-N -1 3 388.786 3.677 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820225413 606134262 /nfs/dbraw/zinc/13/42/62/606134262.db2.gz IHWNROLBTPRCNK-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820225413 606134264 /nfs/dbraw/zinc/13/42/64/606134264.db2.gz IHWNROLBTPRCNK-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379713 606155222 /nfs/dbraw/zinc/15/52/22/606155222.db2.gz FDPIHOATEXHQGM-CYBMUJFWSA-N -1 3 392.463 3.978 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379713 606155223 /nfs/dbraw/zinc/15/52/23/606155223.db2.gz FDPIHOATEXHQGM-CYBMUJFWSA-N -1 3 392.463 3.978 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822778931 606164656 /nfs/dbraw/zinc/16/46/56/606164656.db2.gz OQRCNCQIVQFVFK-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822778931 606164657 /nfs/dbraw/zinc/16/46/57/606164657.db2.gz OQRCNCQIVQFVFK-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000823689346 606175056 /nfs/dbraw/zinc/17/50/56/606175056.db2.gz FGXGHHAJZWFRQR-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000823689346 606175057 /nfs/dbraw/zinc/17/50/57/606175057.db2.gz FGXGHHAJZWFRQR-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)c1ccc(C)s1 ZINC000821118320 606192674 /nfs/dbraw/zinc/19/26/74/606192674.db2.gz LGPXZFJLQBNIFS-UHFFFAOYSA-N -1 3 398.492 3.660 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000823366962 606208336 /nfs/dbraw/zinc/20/83/36/606208336.db2.gz BDQNLENHMNNLPG-CCHVVGMOSA-N -1 3 391.397 3.954 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000823366962 606208338 /nfs/dbraw/zinc/20/83/38/606208338.db2.gz BDQNLENHMNNLPG-CCHVVGMOSA-N -1 3 391.397 3.954 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822206027 606223641 /nfs/dbraw/zinc/22/36/41/606223641.db2.gz RKDCPXGTQHTUAV-MOPGFXCFSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822206027 606223642 /nfs/dbraw/zinc/22/36/42/606223642.db2.gz RKDCPXGTQHTUAV-MOPGFXCFSA-N -1 3 391.450 3.894 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1csc(CCc2ccccc2)n1 ZINC000822568117 606233302 /nfs/dbraw/zinc/23/33/02/606233302.db2.gz LZVMEPPUHXWQLG-UHFFFAOYSA-N -1 3 397.895 3.769 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1csc(CCc2ccccc2)n1 ZINC000822568117 606233304 /nfs/dbraw/zinc/23/33/04/606233304.db2.gz LZVMEPPUHXWQLG-UHFFFAOYSA-N -1 3 397.895 3.769 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000822211960 606236018 /nfs/dbraw/zinc/23/60/18/606236018.db2.gz VOIKRVBAMORIJB-ROUUACIJSA-N -1 3 375.432 3.952 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000822211960 606236019 /nfs/dbraw/zinc/23/60/19/606236019.db2.gz VOIKRVBAMORIJB-ROUUACIJSA-N -1 3 375.432 3.952 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)c2)C1 ZINC000820698627 606237008 /nfs/dbraw/zinc/23/70/08/606237008.db2.gz VFAMKMKDRLDDAW-KDOFPFPSSA-N -1 3 394.479 3.553 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)c2)C1 ZINC000820698627 606237010 /nfs/dbraw/zinc/23/70/10/606237010.db2.gz VFAMKMKDRLDDAW-KDOFPFPSSA-N -1 3 394.479 3.553 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822211973 606245407 /nfs/dbraw/zinc/24/54/07/606245407.db2.gz WFEOYJWFENSEFG-RBUKOAKNSA-N -1 3 389.459 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822211973 606245408 /nfs/dbraw/zinc/24/54/08/606245408.db2.gz WFEOYJWFENSEFG-RBUKOAKNSA-N -1 3 389.459 3.739 20 0 GHADHM Clc1ncccc1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000822591122 606247409 /nfs/dbraw/zinc/24/74/09/606247409.db2.gz RHTXAVYDMCRMIP-UHFFFAOYSA-N -1 3 379.811 3.715 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@H]1C[C@H]1C1CC1 ZINC000823357702 606259817 /nfs/dbraw/zinc/25/98/17/606259817.db2.gz ZFSHHYRTZCHQAL-GJZGRUSLSA-N -1 3 379.395 3.783 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@H]1C[C@H]1C1CC1 ZINC000823357702 606259819 /nfs/dbraw/zinc/25/98/19/606259819.db2.gz ZFSHHYRTZCHQAL-GJZGRUSLSA-N -1 3 379.395 3.783 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974456 606261891 /nfs/dbraw/zinc/26/18/91/606261891.db2.gz NZHFSUMGGUGFAY-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974456 606261892 /nfs/dbraw/zinc/26/18/92/606261892.db2.gz NZHFSUMGGUGFAY-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822449833 606262142 /nfs/dbraw/zinc/26/21/42/606262142.db2.gz RFORWCYJPGCVLF-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822449833 606262144 /nfs/dbraw/zinc/26/21/44/606262144.db2.gz RFORWCYJPGCVLF-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000822418784 606263888 /nfs/dbraw/zinc/26/38/88/606263888.db2.gz GBLKXNDCDADWRB-UHFFFAOYSA-N -1 3 391.460 3.610 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000822418784 606263890 /nfs/dbraw/zinc/26/38/90/606263890.db2.gz GBLKXNDCDADWRB-UHFFFAOYSA-N -1 3 391.460 3.610 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cs2)cc1 ZINC000822213845 606272607 /nfs/dbraw/zinc/27/26/07/606272607.db2.gz CWROAYWETWDYCV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cs2)cc1 ZINC000822213845 606272609 /nfs/dbraw/zinc/27/26/09/606272609.db2.gz CWROAYWETWDYCV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820648642 606278367 /nfs/dbraw/zinc/27/83/67/606278367.db2.gz DSJBXFXCTFDSPU-KGLIPLIRSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820648642 606278369 /nfs/dbraw/zinc/27/83/69/606278369.db2.gz DSJBXFXCTFDSPU-KGLIPLIRSA-N -1 3 379.489 3.888 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OCCC(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644470 606303787 /nfs/dbraw/zinc/30/37/87/606303787.db2.gz AHBQZSZLMNQTSW-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(OCCC(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644470 606303789 /nfs/dbraw/zinc/30/37/89/606303789.db2.gz AHBQZSZLMNQTSW-IBGZPJMESA-N -1 3 395.463 3.618 20 0 GHADHM CC(C)N(C(=O)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000820111588 606306868 /nfs/dbraw/zinc/30/68/68/606306868.db2.gz BBKMGLZJKOJSER-UHFFFAOYSA-N -1 3 395.463 3.683 20 0 GHADHM CC(C)N(C(=O)COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000820111588 606306870 /nfs/dbraw/zinc/30/68/70/606306870.db2.gz BBKMGLZJKOJSER-UHFFFAOYSA-N -1 3 395.463 3.683 20 0 GHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821613586 606349573 /nfs/dbraw/zinc/34/95/73/606349573.db2.gz TXBUPSLYZVOVGD-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821613586 606349575 /nfs/dbraw/zinc/34/95/75/606349575.db2.gz TXBUPSLYZVOVGD-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000820831661 606350265 /nfs/dbraw/zinc/35/02/65/606350265.db2.gz ANSVOZOTJWNRIW-ISZGNANSSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C/c1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000820831661 606350267 /nfs/dbraw/zinc/35/02/67/606350267.db2.gz ANSVOZOTJWNRIW-ISZGNANSSA-N -1 3 394.431 3.592 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553127 606355149 /nfs/dbraw/zinc/35/51/49/606355149.db2.gz IVNVBYDFPLICEJ-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553127 606355151 /nfs/dbraw/zinc/35/51/51/606355151.db2.gz IVNVBYDFPLICEJ-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506585 606356554 /nfs/dbraw/zinc/35/65/54/606356554.db2.gz BRVYPHOWPVOTBF-LBPRGKRZSA-N -1 3 380.452 3.614 20 0 GHADHM C[C@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506585 606356556 /nfs/dbraw/zinc/35/65/56/606356556.db2.gz BRVYPHOWPVOTBF-LBPRGKRZSA-N -1 3 380.452 3.614 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488103 606357446 /nfs/dbraw/zinc/35/74/46/606357446.db2.gz LANAGASUAQQZSC-PRDAAYKISA-N -1 3 383.477 3.938 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488103 606357447 /nfs/dbraw/zinc/35/74/47/606357447.db2.gz LANAGASUAQQZSC-PRDAAYKISA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691685 606360425 /nfs/dbraw/zinc/36/04/25/606360425.db2.gz YSMDZMZSXNIDCR-GDBMZVCRSA-N -1 3 394.431 3.912 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691685 606360426 /nfs/dbraw/zinc/36/04/26/606360426.db2.gz YSMDZMZSXNIDCR-GDBMZVCRSA-N -1 3 394.431 3.912 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cnc2ccccc12 ZINC000822021349 606362999 /nfs/dbraw/zinc/36/29/99/606362999.db2.gz XPJMWMSBOFQSOD-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cnc2ccccc12 ZINC000822021349 606363000 /nfs/dbraw/zinc/36/30/00/606363000.db2.gz XPJMWMSBOFQSOD-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](CC)Oc2ccccc2Cl)s1 ZINC000821465289 606372430 /nfs/dbraw/zinc/37/24/30/606372430.db2.gz DZOIWHNDJOHPQS-CYBMUJFWSA-N -1 3 391.884 3.940 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](CC)Oc2ccccc2Cl)s1 ZINC000821465289 606372432 /nfs/dbraw/zinc/37/24/32/606372432.db2.gz DZOIWHNDJOHPQS-CYBMUJFWSA-N -1 3 391.884 3.940 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341749 606390907 /nfs/dbraw/zinc/39/09/07/606390907.db2.gz RHYFIGCZSFNFGA-OAHLLOKOSA-N -1 3 388.475 3.969 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341749 606390908 /nfs/dbraw/zinc/39/09/08/606390908.db2.gz RHYFIGCZSFNFGA-OAHLLOKOSA-N -1 3 388.475 3.969 20 0 GHADHM Fc1cccc(Oc2ncccc2CNCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822791248 606410039 /nfs/dbraw/zinc/41/00/39/606410039.db2.gz GCNCRLMGRKLKPE-UHFFFAOYSA-N -1 3 382.424 3.544 20 0 GHADHM COc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821882988 606418798 /nfs/dbraw/zinc/41/87/98/606418798.db2.gz PFBCDFUZCJLNRG-LJQANCHMSA-N -1 3 377.473 3.816 20 0 GHADHM COc1ccccc1[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821882988 606418800 /nfs/dbraw/zinc/41/88/00/606418800.db2.gz PFBCDFUZCJLNRG-LJQANCHMSA-N -1 3 377.473 3.816 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000820508795 606437251 /nfs/dbraw/zinc/43/72/51/606437251.db2.gz XTIGPGDXCXBOFZ-VXGBXAGGSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000820508795 606437253 /nfs/dbraw/zinc/43/72/53/606437253.db2.gz XTIGPGDXCXBOFZ-VXGBXAGGSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000820711438 606438494 /nfs/dbraw/zinc/43/84/94/606438494.db2.gz ZDPUBCUKEOWJQP-GFCCVEGCSA-N -1 3 383.839 3.937 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000820711438 606438496 /nfs/dbraw/zinc/43/84/96/606438496.db2.gz ZDPUBCUKEOWJQP-GFCCVEGCSA-N -1 3 383.839 3.937 20 0 GHADHM Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822167771 606448993 /nfs/dbraw/zinc/44/89/93/606448993.db2.gz IOSVPBBZWRGMKP-UHFFFAOYSA-N -1 3 390.491 3.850 20 0 GHADHM Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822167771 606448994 /nfs/dbraw/zinc/44/89/94/606448994.db2.gz IOSVPBBZWRGMKP-UHFFFAOYSA-N -1 3 390.491 3.850 20 0 GHADHM O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392339 606467639 /nfs/dbraw/zinc/46/76/39/606467639.db2.gz ODBLDMAHHLQPCP-MRXNPFEDSA-N -1 3 387.440 3.941 20 0 GHADHM O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392339 606467640 /nfs/dbraw/zinc/46/76/40/606467640.db2.gz ODBLDMAHHLQPCP-MRXNPFEDSA-N -1 3 387.440 3.941 20 0 GHADHM C[C@@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820455092 606472068 /nfs/dbraw/zinc/47/20/68/606472068.db2.gz COYLRNOYKMADCF-CQSZACIVSA-N -1 3 394.479 3.621 20 0 GHADHM C[C@@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820455092 606472070 /nfs/dbraw/zinc/47/20/70/606472070.db2.gz COYLRNOYKMADCF-CQSZACIVSA-N -1 3 394.479 3.621 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2SCCc3ccccc32)n1 ZINC000822724025 606478301 /nfs/dbraw/zinc/47/83/01/606478301.db2.gz WSNMCJOPNIXXHS-ZDUSSCGKSA-N -1 3 392.410 3.723 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2SCCc3ccccc32)n1 ZINC000822724025 606478303 /nfs/dbraw/zinc/47/83/03/606478303.db2.gz WSNMCJOPNIXXHS-ZDUSSCGKSA-N -1 3 392.410 3.723 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1coc(-c2ccccc2)n1 ZINC000820155381 606478655 /nfs/dbraw/zinc/47/86/55/606478655.db2.gz PHYWISBCIUTEQH-UHFFFAOYSA-N -1 3 376.420 3.921 20 0 GHADHM Cc1sc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)nc1-c1ccc(C)cc1 ZINC000822214100 606492331 /nfs/dbraw/zinc/49/23/31/606492331.db2.gz PLAWYYPFKBIZQJ-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1sc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)nc1-c1ccc(C)cc1 ZINC000822214100 606492332 /nfs/dbraw/zinc/49/23/32/606492332.db2.gz PLAWYYPFKBIZQJ-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000821573275 606500516 /nfs/dbraw/zinc/50/05/16/606500516.db2.gz IXEKELQUTWMIBX-UHFFFAOYSA-N -1 3 377.429 3.997 20 0 GHADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000821573275 606500518 /nfs/dbraw/zinc/50/05/18/606500518.db2.gz IXEKELQUTWMIBX-UHFFFAOYSA-N -1 3 377.429 3.997 20 0 GHADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2cc(Cl)ccc2S1 ZINC000820716536 606514749 /nfs/dbraw/zinc/51/47/49/606514749.db2.gz JHVRRYXNGORVHD-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2cc(Cl)ccc2S1 ZINC000820716536 606514750 /nfs/dbraw/zinc/51/47/50/606514750.db2.gz JHVRRYXNGORVHD-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358365 606529106 /nfs/dbraw/zinc/52/91/06/606529106.db2.gz MVAWZCYSXWXCBP-SLEUVZQESA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358365 606529107 /nfs/dbraw/zinc/52/91/07/606529107.db2.gz MVAWZCYSXWXCBP-SLEUVZQESA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000820717305 606533553 /nfs/dbraw/zinc/53/35/53/606533553.db2.gz PHAWRUMCXBVKKT-KBPBESRZSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000820717305 606533554 /nfs/dbraw/zinc/53/35/54/606533554.db2.gz PHAWRUMCXBVKKT-KBPBESRZSA-N -1 3 379.489 3.888 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822414404 606555589 /nfs/dbraw/zinc/55/55/89/606555589.db2.gz DPYGCHAZYJLFTB-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822414404 606555590 /nfs/dbraw/zinc/55/55/90/606555590.db2.gz DPYGCHAZYJLFTB-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822303843 606558551 /nfs/dbraw/zinc/55/85/51/606558551.db2.gz LWXKKVYLGHGPRK-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822303843 606558552 /nfs/dbraw/zinc/55/85/52/606558552.db2.gz LWXKKVYLGHGPRK-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(c2cccc(F)c2)CC1 ZINC000823343971 606580162 /nfs/dbraw/zinc/58/01/62/606580162.db2.gz MKODIELMAFKSIS-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(c2cccc(F)c2)CC1 ZINC000823343971 606580164 /nfs/dbraw/zinc/58/01/64/606580164.db2.gz MKODIELMAFKSIS-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000819867930 606603358 /nfs/dbraw/zinc/60/33/58/606603358.db2.gz VLLGVJZQXRNJBC-CYBMUJFWSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000819867930 606603359 /nfs/dbraw/zinc/60/33/59/606603359.db2.gz VLLGVJZQXRNJBC-CYBMUJFWSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820676916 606619331 /nfs/dbraw/zinc/61/93/31/606619331.db2.gz PFNBMAPEEVLRDN-GVIGZQTCSA-N -1 3 380.477 3.599 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820676916 606619333 /nfs/dbraw/zinc/61/93/33/606619333.db2.gz PFNBMAPEEVLRDN-GVIGZQTCSA-N -1 3 380.477 3.599 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1cccc(F)c1 ZINC000820557290 606630098 /nfs/dbraw/zinc/63/00/98/606630098.db2.gz XWAYBRJMKYHVLN-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1cccc(F)c1 ZINC000820557290 606630099 /nfs/dbraw/zinc/63/00/99/606630099.db2.gz XWAYBRJMKYHVLN-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000820380482 606630484 /nfs/dbraw/zinc/63/04/84/606630484.db2.gz UNSMRUFAQWQQRW-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000820380482 606630486 /nfs/dbraw/zinc/63/04/86/606630486.db2.gz UNSMRUFAQWQQRW-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(F)c(F)c3)c2-c2nnn[n-]2)C1 ZINC000820727729 606664183 /nfs/dbraw/zinc/66/41/83/606664183.db2.gz OHFKURVCJQKONF-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(F)c(F)c3)c2-c2nn[n-]n2)C1 ZINC000820727729 606664184 /nfs/dbraw/zinc/66/41/84/606664184.db2.gz OHFKURVCJQKONF-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000153046372 606667349 /nfs/dbraw/zinc/66/73/49/606667349.db2.gz DWOSRCMAKOZZLT-UHFFFAOYSA-N -1 3 377.473 3.721 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000153046372 606667350 /nfs/dbraw/zinc/66/73/50/606667350.db2.gz DWOSRCMAKOZZLT-UHFFFAOYSA-N -1 3 377.473 3.721 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000446053118 606667406 /nfs/dbraw/zinc/66/74/06/606667406.db2.gz OGQYPBOKEWVKAO-UHFFFAOYSA-N -1 3 396.303 3.874 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000446053118 606667407 /nfs/dbraw/zinc/66/74/07/606667407.db2.gz OGQYPBOKEWVKAO-UHFFFAOYSA-N -1 3 396.303 3.874 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139899 606667523 /nfs/dbraw/zinc/66/75/23/606667523.db2.gz NQSPJVDYRDYGHT-INIZCTEOSA-N -1 3 389.793 3.679 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139899 606667524 /nfs/dbraw/zinc/66/75/24/606667524.db2.gz NQSPJVDYRDYGHT-INIZCTEOSA-N -1 3 389.793 3.679 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000821681764 606671174 /nfs/dbraw/zinc/67/11/74/606671174.db2.gz RCGDLWPNNPSUAI-AWEZNQCLSA-N -1 3 397.454 3.520 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000821681764 606671175 /nfs/dbraw/zinc/67/11/75/606671175.db2.gz RCGDLWPNNPSUAI-AWEZNQCLSA-N -1 3 397.454 3.520 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000819975897 606673503 /nfs/dbraw/zinc/67/35/03/606673503.db2.gz FEYCTPFCEOBAGV-UHFFFAOYSA-N -1 3 388.422 3.663 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000819975897 606673504 /nfs/dbraw/zinc/67/35/04/606673504.db2.gz FEYCTPFCEOBAGV-UHFFFAOYSA-N -1 3 388.422 3.663 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000822958720 606677895 /nfs/dbraw/zinc/67/78/95/606677895.db2.gz DFSBBGMQSJXNPE-UHFFFAOYSA-N -1 3 383.264 3.591 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000822958720 606677896 /nfs/dbraw/zinc/67/78/96/606677896.db2.gz DFSBBGMQSJXNPE-UHFFFAOYSA-N -1 3 383.264 3.591 20 0 GHADHM C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519516 606684971 /nfs/dbraw/zinc/68/49/71/606684971.db2.gz VROPXQAEHRTQPL-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519516 606684972 /nfs/dbraw/zinc/68/49/72/606684972.db2.gz VROPXQAEHRTQPL-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820820946 606691905 /nfs/dbraw/zinc/69/19/05/606691905.db2.gz QQRPXJFMJXJMKL-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820820946 606691906 /nfs/dbraw/zinc/69/19/06/606691906.db2.gz QQRPXJFMJXJMKL-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820039478 606696147 /nfs/dbraw/zinc/69/61/47/606696147.db2.gz XNMYXTSMNAXWGO-OAHLLOKOSA-N -1 3 393.451 3.564 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820039478 606696148 /nfs/dbraw/zinc/69/61/48/606696148.db2.gz XNMYXTSMNAXWGO-OAHLLOKOSA-N -1 3 393.451 3.564 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1ccc(Cl)cc1 ZINC000822505199 606707793 /nfs/dbraw/zinc/70/77/93/606707793.db2.gz BWXKPYWZKCYYOJ-UHFFFAOYSA-N -1 3 379.855 3.720 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1ccc(Cl)cc1 ZINC000822505199 606707794 /nfs/dbraw/zinc/70/77/94/606707794.db2.gz BWXKPYWZKCYYOJ-UHFFFAOYSA-N -1 3 379.855 3.720 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1F ZINC000822229319 606718810 /nfs/dbraw/zinc/71/88/10/606718810.db2.gz ROHXTMWXYAYRLU-GFCCVEGCSA-N -1 3 385.447 3.753 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1F ZINC000822229319 606718812 /nfs/dbraw/zinc/71/88/12/606718812.db2.gz ROHXTMWXYAYRLU-GFCCVEGCSA-N -1 3 385.447 3.753 20 0 GHADHM Cc1ccccc1-c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)no1 ZINC000822344890 606747711 /nfs/dbraw/zinc/74/77/11/606747711.db2.gz COSUTWCHVJZURV-UHFFFAOYSA-N -1 3 389.463 3.636 20 0 GHADHM Cc1ccccc1-c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)no1 ZINC000822344890 606747713 /nfs/dbraw/zinc/74/77/13/606747713.db2.gz COSUTWCHVJZURV-UHFFFAOYSA-N -1 3 389.463 3.636 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)NC1(C2CC2)CC1 ZINC000823350734 606771598 /nfs/dbraw/zinc/77/15/98/606771598.db2.gz ZDBBTYAQXZRYEI-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)NC1(C2CC2)CC1 ZINC000823350734 606771599 /nfs/dbraw/zinc/77/15/99/606771599.db2.gz ZDBBTYAQXZRYEI-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM CC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)C1 ZINC000820989496 606797843 /nfs/dbraw/zinc/79/78/43/606797843.db2.gz UNRXBHPYDCRFDI-HNNXBMFYSA-N -1 3 377.448 3.840 20 0 GHADHM CC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)C1 ZINC000820989496 606797844 /nfs/dbraw/zinc/79/78/44/606797844.db2.gz UNRXBHPYDCRFDI-HNNXBMFYSA-N -1 3 377.448 3.840 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000822758781 606798803 /nfs/dbraw/zinc/79/88/03/606798803.db2.gz YPFXUYFRHCJBHZ-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCc2cscn2)cc1 ZINC000822143304 606830170 /nfs/dbraw/zinc/83/01/70/606830170.db2.gz BCRKEXVRTDXSPC-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2cscn2)cc1 ZINC000822143304 606830173 /nfs/dbraw/zinc/83/01/73/606830173.db2.gz BCRKEXVRTDXSPC-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823175419 606834061 /nfs/dbraw/zinc/83/40/61/606834061.db2.gz IBEWDUYUKGYPIS-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823175419 606834063 /nfs/dbraw/zinc/83/40/63/606834063.db2.gz IBEWDUYUKGYPIS-OAHLLOKOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823343978 606837006 /nfs/dbraw/zinc/83/70/06/606837006.db2.gz MPLFGNUUSZOKAB-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823343978 606837008 /nfs/dbraw/zinc/83/70/08/606837008.db2.gz MPLFGNUUSZOKAB-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820937701 606851787 /nfs/dbraw/zinc/85/17/87/606851787.db2.gz CCTSSDWWFVGYSY-HNNXBMFYSA-N -1 3 387.896 3.707 20 0 GHADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccccc1 ZINC000820937701 606851789 /nfs/dbraw/zinc/85/17/89/606851789.db2.gz CCTSSDWWFVGYSY-HNNXBMFYSA-N -1 3 387.896 3.707 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823257877 606862229 /nfs/dbraw/zinc/86/22/29/606862229.db2.gz XAAFEYHIYWLCLD-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823257877 606862231 /nfs/dbraw/zinc/86/22/31/606862231.db2.gz XAAFEYHIYWLCLD-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM c1ccc(Oc2cccc(NCCCOc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000823792613 606865824 /nfs/dbraw/zinc/86/58/24/606865824.db2.gz ZMTUEXWUMITKTQ-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM c1ccc(Oc2cccc(NCCCOc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000823792613 606865825 /nfs/dbraw/zinc/86/58/25/606865825.db2.gz ZMTUEXWUMITKTQ-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823347389 606868296 /nfs/dbraw/zinc/86/82/96/606868296.db2.gz WZUOXSFGJWYJEI-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823347389 606868297 /nfs/dbraw/zinc/86/82/97/606868297.db2.gz WZUOXSFGJWYJEI-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000821039854 606872648 /nfs/dbraw/zinc/87/26/48/606872648.db2.gz HQFAPYXZHSBTOF-HNNXBMFYSA-N -1 3 392.463 3.706 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000821039854 606872650 /nfs/dbraw/zinc/87/26/50/606872650.db2.gz HQFAPYXZHSBTOF-HNNXBMFYSA-N -1 3 392.463 3.706 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(Cl)c1F ZINC000823299168 606874093 /nfs/dbraw/zinc/87/40/93/606874093.db2.gz KXYMUGSGSLPPDF-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(Cl)c1F ZINC000823299168 606874094 /nfs/dbraw/zinc/87/40/94/606874094.db2.gz KXYMUGSGSLPPDF-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC(C)(C)C ZINC000822211996 606906401 /nfs/dbraw/zinc/90/64/01/606906401.db2.gz XOSHTVRIHLADBW-UHFFFAOYSA-N -1 3 380.452 3.674 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC(C)(C)C ZINC000822211996 606906402 /nfs/dbraw/zinc/90/64/02/606906402.db2.gz XOSHTVRIHLADBW-UHFFFAOYSA-N -1 3 380.452 3.674 20 0 GHADHM Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000822693649 606918261 /nfs/dbraw/zinc/91/82/61/606918261.db2.gz IUHPWJKQFRFGKS-MRXNPFEDSA-N -1 3 399.380 3.821 20 0 GHADHM Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000822693649 606918262 /nfs/dbraw/zinc/91/82/62/606918262.db2.gz IUHPWJKQFRFGKS-MRXNPFEDSA-N -1 3 399.380 3.821 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822241524 606925449 /nfs/dbraw/zinc/92/54/49/606925449.db2.gz YRHCQEMHKZPZSJ-NRFANRHFSA-N -1 3 389.459 3.817 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822241524 606925450 /nfs/dbraw/zinc/92/54/50/606925450.db2.gz YRHCQEMHKZPZSJ-NRFANRHFSA-N -1 3 389.459 3.817 20 0 GHADHM CC(C)COc1ccc([C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820103371 606933501 /nfs/dbraw/zinc/93/35/01/606933501.db2.gz WYCGXGXFNNAJDI-AWEZNQCLSA-N -1 3 396.520 3.949 20 0 GHADHM CC(C)COc1ccc([C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820103371 606933504 /nfs/dbraw/zinc/93/35/04/606933504.db2.gz WYCGXGXFNNAJDI-AWEZNQCLSA-N -1 3 396.520 3.949 20 0 GHADHM CCc1nnc(Oc2ccc3cc(C(C)=O)ccc3c2)c(-c2nnn[n-]2)c1CC ZINC000821547797 606942425 /nfs/dbraw/zinc/94/24/25/606942425.db2.gz CBGGOFAJFYSPBI-UHFFFAOYSA-N -1 3 388.431 3.930 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000822218181 606953731 /nfs/dbraw/zinc/95/37/31/606953731.db2.gz ZDWLVQDPLGEJEL-NSHDSACASA-N -1 3 384.390 3.605 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000822218181 606953734 /nfs/dbraw/zinc/95/37/34/606953734.db2.gz ZDWLVQDPLGEJEL-NSHDSACASA-N -1 3 384.390 3.605 20 0 GHADHM CS/C=C\C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821956846 606957889 /nfs/dbraw/zinc/95/78/89/606957889.db2.gz ZAVKKSWNMXSRLM-KTKRTIGZSA-N -1 3 385.880 3.930 20 0 GHADHM CS/C=C\C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821956846 606957891 /nfs/dbraw/zinc/95/78/91/606957891.db2.gz ZAVKKSWNMXSRLM-KTKRTIGZSA-N -1 3 385.880 3.930 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569484 606960938 /nfs/dbraw/zinc/96/09/38/606960938.db2.gz LSNCEHWVZQMQOP-STQMWFEESA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569484 606960941 /nfs/dbraw/zinc/96/09/41/606960941.db2.gz LSNCEHWVZQMQOP-STQMWFEESA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569482 606961008 /nfs/dbraw/zinc/96/10/08/606961008.db2.gz LSNCEHWVZQMQOP-OLZOCXBDSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569482 606961009 /nfs/dbraw/zinc/96/10/09/606961009.db2.gz LSNCEHWVZQMQOP-OLZOCXBDSA-N -1 3 389.793 3.565 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823379722 606970661 /nfs/dbraw/zinc/97/06/61/606970661.db2.gz GENDBESANXLMPI-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820534710 606970723 /nfs/dbraw/zinc/97/07/23/606970723.db2.gz NHGMGOKRTPLFJU-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820534710 606970724 /nfs/dbraw/zinc/97/07/24/606970724.db2.gz NHGMGOKRTPLFJU-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM Fc1ccc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1-c1nnn[n-]1 ZINC000822771969 606971179 /nfs/dbraw/zinc/97/11/79/606971179.db2.gz NJVCQPJXKCGHEI-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Fc1ccc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1-c1nn[n-]n1 ZINC000822771969 606971181 /nfs/dbraw/zinc/97/11/81/606971181.db2.gz NJVCQPJXKCGHEI-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820313677 606981524 /nfs/dbraw/zinc/98/15/24/606981524.db2.gz FMNJDTLUOLSHSH-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820313677 606981526 /nfs/dbraw/zinc/98/15/26/606981526.db2.gz FMNJDTLUOLSHSH-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)nn2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822775289 607007551 /nfs/dbraw/zinc/00/75/51/607007551.db2.gz UMLZJBGUKNJMGR-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)nn2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822775289 607007552 /nfs/dbraw/zinc/00/75/52/607007552.db2.gz UMLZJBGUKNJMGR-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823493032 607021060 /nfs/dbraw/zinc/02/10/60/607021060.db2.gz FDKDPIXXYGORKM-UHFFFAOYSA-N -1 3 391.378 3.638 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000823493032 607021062 /nfs/dbraw/zinc/02/10/62/607021062.db2.gz FDKDPIXXYGORKM-UHFFFAOYSA-N -1 3 391.378 3.638 20 0 GHADHM O=C(Cc1ccco1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823114800 607025531 /nfs/dbraw/zinc/02/55/31/607025531.db2.gz FPUCKHCKVLIWNS-UHFFFAOYSA-N -1 3 379.351 3.572 20 0 GHADHM O=C(Cc1ccco1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823114800 607025533 /nfs/dbraw/zinc/02/55/33/607025533.db2.gz FPUCKHCKVLIWNS-UHFFFAOYSA-N -1 3 379.351 3.572 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1-c1ncco1 ZINC000822248828 607028394 /nfs/dbraw/zinc/02/83/94/607028394.db2.gz PJVOQUVQSXVTND-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1-c1ncco1 ZINC000822248828 607028396 /nfs/dbraw/zinc/02/83/96/607028396.db2.gz PJVOQUVQSXVTND-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823413638 607083554 /nfs/dbraw/zinc/08/35/54/607083554.db2.gz LJQLRUDZPBCIOP-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823413638 607083557 /nfs/dbraw/zinc/08/35/57/607083557.db2.gz LJQLRUDZPBCIOP-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820819524 607085405 /nfs/dbraw/zinc/08/54/05/607085405.db2.gz JQVIODZMOASBJO-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820819524 607085407 /nfs/dbraw/zinc/08/54/07/607085407.db2.gz JQVIODZMOASBJO-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821393856 607095717 /nfs/dbraw/zinc/09/57/17/607095717.db2.gz DIEYTLXOSWVQDW-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821393856 607095718 /nfs/dbraw/zinc/09/57/18/607095718.db2.gz DIEYTLXOSWVQDW-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM O=C(Nc1ccc(F)nc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823345612 607100565 /nfs/dbraw/zinc/10/05/65/607100565.db2.gz AJUYOJPTWFBEGV-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(F)nc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823345612 607100567 /nfs/dbraw/zinc/10/05/67/607100567.db2.gz AJUYOJPTWFBEGV-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000821293254 607101533 /nfs/dbraw/zinc/10/15/33/607101533.db2.gz IZYHBHNICZJPKM-CABCVRRESA-N -1 3 382.855 3.694 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@@H]1CC12CCC2 ZINC000823357733 607129869 /nfs/dbraw/zinc/12/98/69/607129869.db2.gz ZZJCVFJGGJWCCJ-AWEZNQCLSA-N -1 3 379.395 3.927 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@@H]1CC12CCC2 ZINC000823357733 607129870 /nfs/dbraw/zinc/12/98/70/607129870.db2.gz ZZJCVFJGGJWCCJ-AWEZNQCLSA-N -1 3 379.395 3.927 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000822958757 607147969 /nfs/dbraw/zinc/14/79/69/607147969.db2.gz GGUPWAMMPVUWRM-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000822958757 607147971 /nfs/dbraw/zinc/14/79/71/607147971.db2.gz GGUPWAMMPVUWRM-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000821469334 607153213 /nfs/dbraw/zinc/15/32/13/607153213.db2.gz CTQVINXUJICXLF-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000821469334 607153215 /nfs/dbraw/zinc/15/32/15/607153215.db2.gz CTQVINXUJICXLF-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820937631 607153692 /nfs/dbraw/zinc/15/36/92/607153692.db2.gz AQVCEYRWOSXHND-BEFAXECRSA-N -1 3 385.512 3.904 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820937631 607153693 /nfs/dbraw/zinc/15/36/93/607153693.db2.gz AQVCEYRWOSXHND-BEFAXECRSA-N -1 3 385.512 3.904 20 0 GHADHM Cc1ccc(-c2cnc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)o2)cc1 ZINC000822213869 607158275 /nfs/dbraw/zinc/15/82/75/607158275.db2.gz DVZBSRNEPGCLJS-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM Cc1ccc(-c2cnc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)o2)cc1 ZINC000822213869 607158276 /nfs/dbraw/zinc/15/82/76/607158276.db2.gz DVZBSRNEPGCLJS-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM OCCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823718669 607174136 /nfs/dbraw/zinc/17/41/36/607174136.db2.gz YGZVBEFSMLMTIY-OAHLLOKOSA-N -1 3 377.370 3.811 20 0 GHADHM OCCC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823718669 607174137 /nfs/dbraw/zinc/17/41/37/607174137.db2.gz YGZVBEFSMLMTIY-OAHLLOKOSA-N -1 3 377.370 3.811 20 0 GHADHM CC(C)Oc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000820178385 607190611 /nfs/dbraw/zinc/19/06/11/607190611.db2.gz ODBNLDZBHBJHTH-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000820178385 607190612 /nfs/dbraw/zinc/19/06/12/607190612.db2.gz ODBNLDZBHBJHTH-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821849448 607190818 /nfs/dbraw/zinc/19/08/18/607190818.db2.gz IYKUWKSVVOMKOR-ZDUSSCGKSA-N -1 3 397.866 3.977 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821849448 607190819 /nfs/dbraw/zinc/19/08/19/607190819.db2.gz IYKUWKSVVOMKOR-ZDUSSCGKSA-N -1 3 397.866 3.977 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1SCCc2sccc21 ZINC000823313833 607192257 /nfs/dbraw/zinc/19/22/57/607192257.db2.gz JOAGCOVRQMMBPI-ZDUSSCGKSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1SCCc2sccc21 ZINC000823313833 607192258 /nfs/dbraw/zinc/19/22/58/607192258.db2.gz JOAGCOVRQMMBPI-ZDUSSCGKSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(NCc1ccccc1OCC1CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261100 607196907 /nfs/dbraw/zinc/19/69/07/607196907.db2.gz AEHMVAWDTAENMQ-UHFFFAOYSA-N -1 3 398.854 3.631 20 0 GHADHM O=C(NCc1ccccc1OCC1CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261100 607196908 /nfs/dbraw/zinc/19/69/08/607196908.db2.gz AEHMVAWDTAENMQ-UHFFFAOYSA-N -1 3 398.854 3.631 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823319558 607197754 /nfs/dbraw/zinc/19/77/54/607197754.db2.gz VLUFVVXRERLSQL-ZDUSSCGKSA-N -1 3 390.875 3.524 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCOC2(CCCCC2)C1 ZINC000823319558 607197755 /nfs/dbraw/zinc/19/77/55/607197755.db2.gz VLUFVVXRERLSQL-ZDUSSCGKSA-N -1 3 390.875 3.524 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821613303 607200133 /nfs/dbraw/zinc/20/01/33/607200133.db2.gz HOJKKIYYRRTFDU-UHFFFAOYSA-N -1 3 377.235 3.837 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821613303 607200134 /nfs/dbraw/zinc/20/01/34/607200134.db2.gz HOJKKIYYRRTFDU-UHFFFAOYSA-N -1 3 377.235 3.837 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(C(F)F)ccc1Cl ZINC000823239237 607204471 /nfs/dbraw/zinc/20/44/71/607204471.db2.gz YXGMEUCIPCDYQY-UHFFFAOYSA-N -1 3 396.760 3.919 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(C(F)F)ccc1Cl ZINC000823239237 607204472 /nfs/dbraw/zinc/20/44/72/607204472.db2.gz YXGMEUCIPCDYQY-UHFFFAOYSA-N -1 3 396.760 3.919 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823356044 607231903 /nfs/dbraw/zinc/23/19/03/607231903.db2.gz JCOBKSFFJATJKF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823356044 607231904 /nfs/dbraw/zinc/23/19/04/607231904.db2.gz JCOBKSFFJATJKF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820717712 607237197 /nfs/dbraw/zinc/23/71/97/607237197.db2.gz UYZXQDMFPMGYFI-CQSZACIVSA-N -1 3 377.448 3.565 20 0 GHADHM C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820717712 607237198 /nfs/dbraw/zinc/23/71/98/607237198.db2.gz UYZXQDMFPMGYFI-CQSZACIVSA-N -1 3 377.448 3.565 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820939732 607241161 /nfs/dbraw/zinc/24/11/61/607241161.db2.gz XKJHRYDYIQZWPX-CQSZACIVSA-N -1 3 392.246 3.970 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820939732 607241162 /nfs/dbraw/zinc/24/11/62/607241162.db2.gz XKJHRYDYIQZWPX-CQSZACIVSA-N -1 3 392.246 3.970 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822241101 607243890 /nfs/dbraw/zinc/24/38/90/607243890.db2.gz LAMIBPWQUWQCQD-UHFFFAOYSA-N -1 3 384.871 3.925 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822241101 607243891 /nfs/dbraw/zinc/24/38/91/607243891.db2.gz LAMIBPWQUWQCQD-UHFFFAOYSA-N -1 3 384.871 3.925 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820548624 607244443 /nfs/dbraw/zinc/24/44/43/607244443.db2.gz DFLDKATZRVFJJI-VIFPVBQESA-N -1 3 378.816 3.745 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820548624 607244444 /nfs/dbraw/zinc/24/44/44/607244444.db2.gz DFLDKATZRVFJJI-VIFPVBQESA-N -1 3 378.816 3.745 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000822345811 607247268 /nfs/dbraw/zinc/24/72/68/607247268.db2.gz SEHXMKKSJIJVID-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000822345811 607247269 /nfs/dbraw/zinc/24/72/69/607247269.db2.gz SEHXMKKSJIJVID-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2ccsc21 ZINC000824171973 607776531 /nfs/dbraw/zinc/77/65/31/607776531.db2.gz HUUVPSNBEWLZFU-UHFFFAOYSA-N -1 3 379.445 3.878 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ccsc21 ZINC000824171973 607776532 /nfs/dbraw/zinc/77/65/32/607776532.db2.gz HUUVPSNBEWLZFU-UHFFFAOYSA-N -1 3 379.445 3.878 20 0 GHADHM CCSc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000825674826 607785411 /nfs/dbraw/zinc/78/54/11/607785411.db2.gz SJJQXEUDMUSSFZ-UHFFFAOYSA-N -1 3 384.509 3.716 20 0 GHADHM CCSc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000825674826 607785412 /nfs/dbraw/zinc/78/54/12/607785412.db2.gz SJJQXEUDMUSSFZ-UHFFFAOYSA-N -1 3 384.509 3.716 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824458325 607790644 /nfs/dbraw/zinc/79/06/44/607790644.db2.gz VONSMWCOQIUNCK-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824458325 607790645 /nfs/dbraw/zinc/79/06/45/607790645.db2.gz VONSMWCOQIUNCK-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM Cc1ccc(CC(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000826286574 607817098 /nfs/dbraw/zinc/81/70/98/607817098.db2.gz HQZMMBJYEQPIJZ-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM Cc1ccc(CC(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000826286574 607817099 /nfs/dbraw/zinc/81/70/99/607817099.db2.gz HQZMMBJYEQPIJZ-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM O=C(NCCCOC1CCCCC1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826436994 607833728 /nfs/dbraw/zinc/83/37/28/607833728.db2.gz RORBUXXPHQVFHJ-UHFFFAOYSA-N -1 3 398.294 3.643 20 0 GHADHM O=C(NCCCOC1CCCCC1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826436994 607833729 /nfs/dbraw/zinc/83/37/29/607833729.db2.gz RORBUXXPHQVFHJ-UHFFFAOYSA-N -1 3 398.294 3.643 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826287283 607835391 /nfs/dbraw/zinc/83/53/91/607835391.db2.gz JKPWHAWNTTUWPX-MRVPVSSYSA-N -1 3 396.303 3.904 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826287283 607835392 /nfs/dbraw/zinc/83/53/92/607835392.db2.gz JKPWHAWNTTUWPX-MRVPVSSYSA-N -1 3 396.303 3.904 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826281275 607840662 /nfs/dbraw/zinc/84/06/62/607840662.db2.gz LJLBWPGKUURPSA-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826281275 607840663 /nfs/dbraw/zinc/84/06/63/607840663.db2.gz LJLBWPGKUURPSA-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM CCOc1ccccc1N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825654338 607842761 /nfs/dbraw/zinc/84/27/61/607842761.db2.gz XSVAZUKWEWRNDN-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CCOc1ccccc1N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825654338 607842762 /nfs/dbraw/zinc/84/27/62/607842762.db2.gz XSVAZUKWEWRNDN-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM O[C@H](COc1ccccc1Cl)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826504974 607843240 /nfs/dbraw/zinc/84/32/40/607843240.db2.gz JHRDOCFWLYMMHB-LLVKDONJSA-N -1 3 397.287 3.706 20 0 GHADHM O[C@H](COc1ccccc1Cl)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826504974 607843241 /nfs/dbraw/zinc/84/32/41/607843241.db2.gz JHRDOCFWLYMMHB-LLVKDONJSA-N -1 3 397.287 3.706 20 0 GHADHM Cc1ncsc1-c1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000826331679 607844026 /nfs/dbraw/zinc/84/40/26/607844026.db2.gz SYBBQFQCJOSYMS-UHFFFAOYSA-N -1 3 391.869 3.627 20 0 GHADHM Cc1ncsc1-c1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000826331679 607844027 /nfs/dbraw/zinc/84/40/27/607844027.db2.gz SYBBQFQCJOSYMS-UHFFFAOYSA-N -1 3 391.869 3.627 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC000826117734 607844597 /nfs/dbraw/zinc/84/45/97/607844597.db2.gz QUFFIZHPPUTAHI-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC000826117734 607844598 /nfs/dbraw/zinc/84/45/98/607844598.db2.gz QUFFIZHPPUTAHI-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM CCc1noc(C)c1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825777425 607862093 /nfs/dbraw/zinc/86/20/93/607862093.db2.gz WPIGISBNWFZTLV-UHFFFAOYSA-N -1 3 389.419 3.721 20 0 GHADHM O[C@H](COc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504332 607870355 /nfs/dbraw/zinc/87/03/55/607870355.db2.gz TZGLUPGDTQIUQW-CYBMUJFWSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@H](COc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504332 607870356 /nfs/dbraw/zinc/87/03/56/607870356.db2.gz TZGLUPGDTQIUQW-CYBMUJFWSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1C(F)(F)F ZINC000826503816 607872862 /nfs/dbraw/zinc/87/28/62/607872862.db2.gz GZRQVEDEKHZXEG-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1C(F)(F)F ZINC000826503816 607872863 /nfs/dbraw/zinc/87/28/63/607872863.db2.gz GZRQVEDEKHZXEG-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)Cc1ccccc1C(F)(F)F ZINC000826504517 607872877 /nfs/dbraw/zinc/87/28/77/607872877.db2.gz XVJRXISKLCBLKJ-LBPRGKRZSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)Cc1ccccc1C(F)(F)F ZINC000826504517 607872878 /nfs/dbraw/zinc/87/28/78/607872878.db2.gz XVJRXISKLCBLKJ-LBPRGKRZSA-N -1 3 398.772 3.521 20 0 GHADHM CCc1ccccc1OCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825728169 607878156 /nfs/dbraw/zinc/87/81/56/607878156.db2.gz JMPFLLKQIALKJL-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCc1ccccc1OCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825728169 607878157 /nfs/dbraw/zinc/87/81/57/607878157.db2.gz JMPFLLKQIALKJL-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCN(C(=O)COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372023 607878727 /nfs/dbraw/zinc/87/87/27/607878727.db2.gz QDJKLFRQPBTOAE-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372023 607878728 /nfs/dbraw/zinc/87/87/28/607878728.db2.gz QDJKLFRQPBTOAE-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824802400 607893838 /nfs/dbraw/zinc/89/38/38/607893838.db2.gz MISSIDOEUNEQAS-MRXNPFEDSA-N -1 3 397.523 3.843 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824802400 607893839 /nfs/dbraw/zinc/89/38/39/607893839.db2.gz MISSIDOEUNEQAS-MRXNPFEDSA-N -1 3 397.523 3.843 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCO1 ZINC000824852902 607906175 /nfs/dbraw/zinc/90/61/75/607906175.db2.gz SXWBQPZXFGCKNS-UHFFFAOYSA-N -1 3 395.394 3.821 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCO1 ZINC000824852902 607906176 /nfs/dbraw/zinc/90/61/76/607906176.db2.gz SXWBQPZXFGCKNS-UHFFFAOYSA-N -1 3 395.394 3.821 20 0 GHADHM O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470602 607947588 /nfs/dbraw/zinc/94/75/88/607947588.db2.gz WHDNZRKODPRBAM-UHFFFAOYSA-N -1 3 380.411 3.704 20 0 GHADHM O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470602 607947589 /nfs/dbraw/zinc/94/75/89/607947589.db2.gz WHDNZRKODPRBAM-UHFFFAOYSA-N -1 3 380.411 3.704 20 0 GHADHM O=C(Nc1ccc2ncccc2c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826456099 607964598 /nfs/dbraw/zinc/96/45/98/607964598.db2.gz QFGWFUCNOYOFHT-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc2ncccc2c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826456099 607964599 /nfs/dbraw/zinc/96/45/99/607964599.db2.gz QFGWFUCNOYOFHT-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM OC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508488 607969230 /nfs/dbraw/zinc/96/92/30/607969230.db2.gz QPTHFYIWVPMODT-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508488 607969231 /nfs/dbraw/zinc/96/92/31/607969231.db2.gz QPTHFYIWVPMODT-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508489 607969429 /nfs/dbraw/zinc/96/94/29/607969429.db2.gz QPTHFYIWVPMODT-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508489 607969430 /nfs/dbraw/zinc/96/94/30/607969430.db2.gz QPTHFYIWVPMODT-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1-c1nc2ccccc2n1CCc1ccccn1 ZINC000826371298 607976066 /nfs/dbraw/zinc/97/60/66/607976066.db2.gz APTVHNXMOVSUGN-UHFFFAOYSA-N -1 3 385.406 3.660 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1-c1nc2ccccc2n1CCc1ccccn1 ZINC000826371298 607976067 /nfs/dbraw/zinc/97/60/67/607976067.db2.gz APTVHNXMOVSUGN-UHFFFAOYSA-N -1 3 385.406 3.660 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2cccc(C)c2C)cc1-c1nnn[n-]1 ZINC000826207271 607983613 /nfs/dbraw/zinc/98/36/13/607983613.db2.gz HSJVLKNMYRSIME-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@H](C)C(=O)Nc2cccc(C)c2C)cc1-c1nn[n-]n1 ZINC000826207271 607983614 /nfs/dbraw/zinc/98/36/14/607983614.db2.gz HSJVLKNMYRSIME-CQSZACIVSA-N -1 3 397.504 3.753 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825829920 608006346 /nfs/dbraw/zinc/00/63/46/608006346.db2.gz KOFWERPUXLAMHH-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825829920 608006347 /nfs/dbraw/zinc/00/63/47/608006347.db2.gz KOFWERPUXLAMHH-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM O=C(Nc1ccccn1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826458027 608051615 /nfs/dbraw/zinc/05/16/15/608051615.db2.gz ZTAYMFAJKUQDIM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccn1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826458027 608051616 /nfs/dbraw/zinc/05/16/16/608051616.db2.gz ZTAYMFAJKUQDIM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000535615359 608053806 /nfs/dbraw/zinc/05/38/06/608053806.db2.gz CRQJJAKFAFCVSF-UHFFFAOYSA-N -1 3 395.369 3.551 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000535615359 608053807 /nfs/dbraw/zinc/05/38/07/608053807.db2.gz CRQJJAKFAFCVSF-UHFFFAOYSA-N -1 3 395.369 3.551 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280399 608053962 /nfs/dbraw/zinc/05/39/62/608053962.db2.gz MBVUTXPDVKHNRJ-MRXNPFEDSA-N -1 3 377.492 3.827 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280399 608053963 /nfs/dbraw/zinc/05/39/63/608053963.db2.gz MBVUTXPDVKHNRJ-MRXNPFEDSA-N -1 3 377.492 3.827 20 0 GHADHM CCC(CC)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000825097676 608057153 /nfs/dbraw/zinc/05/71/53/608057153.db2.gz YBONXOQRRHMVEB-LBPRGKRZSA-N -1 3 383.418 3.830 20 0 GHADHM CCC(CC)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000825097676 608057154 /nfs/dbraw/zinc/05/71/54/608057154.db2.gz YBONXOQRRHMVEB-LBPRGKRZSA-N -1 3 383.418 3.830 20 0 GHADHM CC(C)CN(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255622 608059640 /nfs/dbraw/zinc/05/96/40/608059640.db2.gz QIWURFBWAHAXJM-IBGZPJMESA-N -1 3 391.475 3.673 20 0 GHADHM CC(C)CN(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255622 608059641 /nfs/dbraw/zinc/05/96/41/608059641.db2.gz QIWURFBWAHAXJM-IBGZPJMESA-N -1 3 391.475 3.673 20 0 GHADHM CN(CC(F)F)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825902539 608062050 /nfs/dbraw/zinc/06/20/50/608062050.db2.gz UXNIMDRXHDMSRE-UHFFFAOYSA-N -1 3 393.781 3.650 20 0 GHADHM CN(CC(F)F)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825902539 608062051 /nfs/dbraw/zinc/06/20/51/608062051.db2.gz UXNIMDRXHDMSRE-UHFFFAOYSA-N -1 3 393.781 3.650 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1-c1nnn[n-]1 ZINC000826368698 608098727 /nfs/dbraw/zinc/09/87/27/608098727.db2.gz YWKJLACBBOTKFD-UPJWGTAASA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1-c1nn[n-]n1 ZINC000826368698 608098728 /nfs/dbraw/zinc/09/87/28/608098728.db2.gz YWKJLACBBOTKFD-UPJWGTAASA-N -1 3 387.456 3.677 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824489117 608100021 /nfs/dbraw/zinc/10/00/21/608100021.db2.gz JECMRAFDDGXWEH-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824489117 608100022 /nfs/dbraw/zinc/10/00/22/608100022.db2.gz JECMRAFDDGXWEH-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081853 608105894 /nfs/dbraw/zinc/10/58/94/608105894.db2.gz NXBCAHINNIJHBA-CHWSQXEVSA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081853 608105895 /nfs/dbraw/zinc/10/58/95/608105895.db2.gz NXBCAHINNIJHBA-CHWSQXEVSA-N -1 3 394.483 3.794 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1cccc(C)c1C ZINC000825796282 608109342 /nfs/dbraw/zinc/10/93/42/608109342.db2.gz BHTVVGOTNFCQEW-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1cccc(C)c1C ZINC000825796282 608109343 /nfs/dbraw/zinc/10/93/43/608109343.db2.gz BHTVVGOTNFCQEW-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1NCc1ccccc1 ZINC000825971475 608115773 /nfs/dbraw/zinc/11/57/73/608115773.db2.gz HWEGHVQNQSGCCB-UHFFFAOYSA-N -1 3 398.470 3.751 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1NCc1ccccc1 ZINC000825971475 608115774 /nfs/dbraw/zinc/11/57/74/608115774.db2.gz HWEGHVQNQSGCCB-UHFFFAOYSA-N -1 3 398.470 3.751 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(F)c(Cl)cc1F ZINC000826460954 608122936 /nfs/dbraw/zinc/12/29/36/608122936.db2.gz ZLEIJVCDCQFMBC-UHFFFAOYSA-N -1 3 381.795 3.601 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(F)c(Cl)cc1F ZINC000826460954 608122937 /nfs/dbraw/zinc/12/29/37/608122937.db2.gz ZLEIJVCDCQFMBC-UHFFFAOYSA-N -1 3 381.795 3.601 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825014511 608140980 /nfs/dbraw/zinc/14/09/80/608140980.db2.gz WQJRBTDVAQMPSJ-LLVKDONJSA-N -1 3 385.880 3.909 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825014511 608140981 /nfs/dbraw/zinc/14/09/81/608140981.db2.gz WQJRBTDVAQMPSJ-LLVKDONJSA-N -1 3 385.880 3.909 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824864363 608153931 /nfs/dbraw/zinc/15/39/31/608153931.db2.gz ASPIKHLAAYUWOM-ORAYPTAESA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824864363 608153934 /nfs/dbraw/zinc/15/39/34/608153934.db2.gz ASPIKHLAAYUWOM-ORAYPTAESA-N -1 3 391.431 3.603 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000826471847 608171551 /nfs/dbraw/zinc/17/15/51/608171551.db2.gz OQRPJBHMKASZPZ-UHFFFAOYSA-N -1 3 396.454 3.534 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000826471847 608171553 /nfs/dbraw/zinc/17/15/53/608171553.db2.gz OQRPJBHMKASZPZ-UHFFFAOYSA-N -1 3 396.454 3.534 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000826250014 608171673 /nfs/dbraw/zinc/17/16/73/608171673.db2.gz GGOBTGSEOAZANZ-UHFFFAOYSA-N -1 3 397.410 3.522 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000826250014 608171674 /nfs/dbraw/zinc/17/16/74/608171674.db2.gz GGOBTGSEOAZANZ-UHFFFAOYSA-N -1 3 397.410 3.522 20 0 GHADHM CCCc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000825348519 608184130 /nfs/dbraw/zinc/18/41/30/608184130.db2.gz OMDBYQDIPUZCPF-ZDUSSCGKSA-N -1 3 381.436 3.576 20 0 GHADHM CCCc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000825348519 608184132 /nfs/dbraw/zinc/18/41/32/608184132.db2.gz OMDBYQDIPUZCPF-ZDUSSCGKSA-N -1 3 381.436 3.576 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000824319160 608204181 /nfs/dbraw/zinc/20/41/81/608204181.db2.gz HUVUYNKJLMNVKC-CQSZACIVSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000824319160 608204182 /nfs/dbraw/zinc/20/41/82/608204182.db2.gz HUVUYNKJLMNVKC-CQSZACIVSA-N -1 3 384.484 3.698 20 0 GHADHM C[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000825000745 608230162 /nfs/dbraw/zinc/23/01/62/608230162.db2.gz UFZFCUHBXKSBBY-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000825000745 608230164 /nfs/dbraw/zinc/23/01/64/608230164.db2.gz UFZFCUHBXKSBBY-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367553 608236534 /nfs/dbraw/zinc/23/65/34/608236534.db2.gz SNCCILKYPHLVEV-RILDOFPPSA-N -1 3 386.459 3.971 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367553 608236535 /nfs/dbraw/zinc/23/65/35/608236535.db2.gz SNCCILKYPHLVEV-RILDOFPPSA-N -1 3 386.459 3.971 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825194966 608246697 /nfs/dbraw/zinc/24/66/97/608246697.db2.gz TYLGJFXDPCOZMZ-HNAYVOBHSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825194966 608246699 /nfs/dbraw/zinc/24/66/99/608246699.db2.gz TYLGJFXDPCOZMZ-HNAYVOBHSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1cccnc1COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826308144 608253450 /nfs/dbraw/zinc/25/34/50/608253450.db2.gz LJVYPVPOGQTHKW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cccnc1COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826308144 608253452 /nfs/dbraw/zinc/25/34/52/608253452.db2.gz LJVYPVPOGQTHKW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Cn1nc(C)nc1-c1ccc2ccccc2c1 ZINC000826173998 608264671 /nfs/dbraw/zinc/26/46/71/608264671.db2.gz DZVHOCRKNQHRMP-UHFFFAOYSA-N -1 3 397.442 3.644 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Cn1nc(C)nc1-c1ccc2ccccc2c1 ZINC000826173998 608264673 /nfs/dbraw/zinc/26/46/73/608264673.db2.gz DZVHOCRKNQHRMP-UHFFFAOYSA-N -1 3 397.442 3.644 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000826276742 608295871 /nfs/dbraw/zinc/29/58/71/608295871.db2.gz UNNZZQOJTLSRKG-UHFFFAOYSA-N -1 3 395.467 3.572 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000826276742 608295873 /nfs/dbraw/zinc/29/58/73/608295873.db2.gz UNNZZQOJTLSRKG-UHFFFAOYSA-N -1 3 395.467 3.572 20 0 GHADHM Cc1csc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826320716 608301871 /nfs/dbraw/zinc/30/18/71/608301871.db2.gz AZDGTXXSIPTDNU-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1csc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826320716 608301872 /nfs/dbraw/zinc/30/18/72/608301872.db2.gz AZDGTXXSIPTDNU-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823962612 608328474 /nfs/dbraw/zinc/32/84/74/608328474.db2.gz MTBAKJIAGBWQDC-UHFFFAOYSA-N -1 3 391.475 3.545 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823962612 608328475 /nfs/dbraw/zinc/32/84/75/608328475.db2.gz MTBAKJIAGBWQDC-UHFFFAOYSA-N -1 3 391.475 3.545 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390713 608344135 /nfs/dbraw/zinc/34/41/35/608344135.db2.gz LHGRWHDMLJUCNX-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390713 608344136 /nfs/dbraw/zinc/34/41/36/608344136.db2.gz LHGRWHDMLJUCNX-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCc1cccc(OCC(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825722767 608346158 /nfs/dbraw/zinc/34/61/58/608346158.db2.gz MQGBEECNCSBLKH-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCc1cccc(OCC(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825722767 608346160 /nfs/dbraw/zinc/34/61/60/608346160.db2.gz MQGBEECNCSBLKH-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccco1)Cc1cccs1 ZINC000826168602 608353181 /nfs/dbraw/zinc/35/31/81/608353181.db2.gz SFLYMRWVUYWZQY-UHFFFAOYSA-N -1 3 381.461 3.732 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccco1)Cc1cccs1 ZINC000826168602 608353182 /nfs/dbraw/zinc/35/31/82/608353182.db2.gz SFLYMRWVUYWZQY-UHFFFAOYSA-N -1 3 381.461 3.732 20 0 GHADHM CSc1cccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000826231081 608390942 /nfs/dbraw/zinc/39/09/42/608390942.db2.gz WCBHXKOXSBDZSA-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM CSc1cccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000826231081 608390944 /nfs/dbraw/zinc/39/09/44/608390944.db2.gz WCBHXKOXSBDZSA-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)c1c[nH]c2ncccc12 ZINC000824756650 608402557 /nfs/dbraw/zinc/40/25/57/608402557.db2.gz POZOYQTVBYCREF-VIFPVBQESA-N -1 3 384.852 3.760 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)c1c[nH]c2ncccc12 ZINC000824756650 608402558 /nfs/dbraw/zinc/40/25/58/608402558.db2.gz POZOYQTVBYCREF-VIFPVBQESA-N -1 3 384.852 3.760 20 0 GHADHM Clc1cnc(Br)c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826353962 608415551 /nfs/dbraw/zinc/41/55/51/608415551.db2.gz KZBVXSRYFZGVAS-UHFFFAOYSA-N -1 3 388.012 3.518 20 0 GHADHM Clc1cnc(Br)c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826353962 608415552 /nfs/dbraw/zinc/41/55/52/608415552.db2.gz KZBVXSRYFZGVAS-UHFFFAOYSA-N -1 3 388.012 3.518 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826423016 608437383 /nfs/dbraw/zinc/43/73/83/608437383.db2.gz VICCVLKWZAJYRJ-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826423016 608437384 /nfs/dbraw/zinc/43/73/84/608437384.db2.gz VICCVLKWZAJYRJ-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826403739 608447234 /nfs/dbraw/zinc/44/72/34/608447234.db2.gz AVSVSHQWVWCWMZ-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826403739 608447235 /nfs/dbraw/zinc/44/72/35/608447235.db2.gz AVSVSHQWVWCWMZ-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM c1csc(-c2cc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)no2)c1 ZINC000823867969 608465350 /nfs/dbraw/zinc/46/53/50/608465350.db2.gz LGPHRFGYQJLUBV-UHFFFAOYSA-N -1 3 390.472 3.873 20 0 GHADHM C[C@@H](NCc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633034 608469096 /nfs/dbraw/zinc/46/90/96/608469096.db2.gz GNOIKWLUSFLLCX-SNVBAGLBSA-N -1 3 388.353 3.878 20 0 GHADHM Cc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826268570 608469289 /nfs/dbraw/zinc/46/92/89/608469289.db2.gz CHMQFKCJSRJDQN-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826268570 608469290 /nfs/dbraw/zinc/46/92/90/608469290.db2.gz CHMQFKCJSRJDQN-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM O=C(NOC1CCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826450090 608479588 /nfs/dbraw/zinc/47/95/88/608479588.db2.gz WTZGZQJEVRGPBM-UHFFFAOYSA-N -1 3 380.408 3.655 20 0 GHADHM Cc1ccc2cc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)[nH]c2c1 ZINC000826295232 608483319 /nfs/dbraw/zinc/48/33/19/608483319.db2.gz XSQQWGBAWMQVCP-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM Cc1ccc2cc(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)[nH]c2c1 ZINC000826295232 608483321 /nfs/dbraw/zinc/48/33/21/608483321.db2.gz XSQQWGBAWMQVCP-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404481 608483828 /nfs/dbraw/zinc/48/38/28/608483828.db2.gz BVCFMNJATWVLLT-RQOWECAXSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404481 608483830 /nfs/dbraw/zinc/48/38/30/608483830.db2.gz BVCFMNJATWVLLT-RQOWECAXSA-N -1 3 389.434 3.725 20 0 GHADHM c1cc(-c2ccn(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cs1 ZINC000823868104 608488006 /nfs/dbraw/zinc/48/80/06/608488006.db2.gz NJCOAASLDSWCCK-UHFFFAOYSA-N -1 3 389.488 3.539 20 0 GHADHM CC[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000825153434 608499898 /nfs/dbraw/zinc/49/98/98/608499898.db2.gz HKIUENWZCWUHLT-KRWDZBQOSA-N -1 3 384.461 3.662 20 0 GHADHM CC[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000825153434 608499900 /nfs/dbraw/zinc/49/99/00/608499900.db2.gz HKIUENWZCWUHLT-KRWDZBQOSA-N -1 3 384.461 3.662 20 0 GHADHM CCc1ccnc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000825727936 608539653 /nfs/dbraw/zinc/53/96/53/608539653.db2.gz FVVSXJPDYKKNCA-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ccnc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000825727936 608539654 /nfs/dbraw/zinc/53/96/54/608539654.db2.gz FVVSXJPDYKKNCA-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826420415 608561055 /nfs/dbraw/zinc/56/10/55/608561055.db2.gz LQWUKHRXDZXUDE-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826420415 608561057 /nfs/dbraw/zinc/56/10/57/608561057.db2.gz LQWUKHRXDZXUDE-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000826368083 608568644 /nfs/dbraw/zinc/56/86/44/608568644.db2.gz BDGCABNHNQMPOX-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000826368083 608568646 /nfs/dbraw/zinc/56/86/46/608568646.db2.gz BDGCABNHNQMPOX-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM C[C@H]1CCc2sc(C(=O)Nc3nc4c(cc3-c3nnn[n-]3)CCCC4)cc2C1 ZINC000824966605 608570249 /nfs/dbraw/zinc/57/02/49/608570249.db2.gz CIKJZWPXROHXCA-NSHDSACASA-N -1 3 394.504 3.579 20 0 GHADHM C[C@H]1CCc2sc(C(=O)Nc3nc4c(cc3-c3nn[n-]n3)CCCC4)cc2C1 ZINC000824966605 608570251 /nfs/dbraw/zinc/57/02/51/608570251.db2.gz CIKJZWPXROHXCA-NSHDSACASA-N -1 3 394.504 3.579 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)cc1Cl ZINC000826460101 608571078 /nfs/dbraw/zinc/57/10/78/608571078.db2.gz MUSXUDZKLMYUBJ-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Cl)cc1Cl ZINC000826460101 608571079 /nfs/dbraw/zinc/57/10/79/608571079.db2.gz MUSXUDZKLMYUBJ-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824899648 608576684 /nfs/dbraw/zinc/57/66/84/608576684.db2.gz MLDMXOYDWPOARV-IOASZLSFSA-N -1 3 381.867 3.927 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824899648 608576685 /nfs/dbraw/zinc/57/66/85/608576685.db2.gz MLDMXOYDWPOARV-IOASZLSFSA-N -1 3 381.867 3.927 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000826472945 608577391 /nfs/dbraw/zinc/57/73/91/608577391.db2.gz DFKRXKLWNJJBEX-ZDUSSCGKSA-N -1 3 399.907 3.775 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000826472945 608577393 /nfs/dbraw/zinc/57/73/93/608577393.db2.gz DFKRXKLWNJJBEX-ZDUSSCGKSA-N -1 3 399.907 3.775 20 0 GHADHM CCOc1cccc([C@H]2C[C@@H]2Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000825649673 608588777 /nfs/dbraw/zinc/58/87/77/608588777.db2.gz UUSYSHXAIJZITE-KGLIPLIRSA-N -1 3 390.369 3.647 20 0 GHADHM CCOc1cccc([C@H]2C[C@@H]2Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000825649673 608588778 /nfs/dbraw/zinc/58/87/78/608588778.db2.gz UUSYSHXAIJZITE-KGLIPLIRSA-N -1 3 390.369 3.647 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)[C@H](C)CO2)c1 ZINC000826284805 608651302 /nfs/dbraw/zinc/65/13/02/608651302.db2.gz GTCMERPEPLXHRP-DNVCBOLYSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)[C@H](C)CO2)c1 ZINC000826284805 608651303 /nfs/dbraw/zinc/65/13/03/608651303.db2.gz GTCMERPEPLXHRP-DNVCBOLYSA-N -1 3 381.455 3.585 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825012224 608828466 /nfs/dbraw/zinc/82/84/66/608828466.db2.gz FGRSPPOXOYDVBD-OLZOCXBDSA-N -1 3 397.479 3.632 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825012224 608828469 /nfs/dbraw/zinc/82/84/69/608828469.db2.gz FGRSPPOXOYDVBD-OLZOCXBDSA-N -1 3 397.479 3.632 20 0 GHADHM Clc1ccc(/C=C/CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351185 608850889 /nfs/dbraw/zinc/85/08/89/608850889.db2.gz BDICUDBSFANSOE-PHXNAMCJSA-N -1 3 381.867 3.607 20 0 GHADHM Clc1ccc(/C=C/CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351185 608850890 /nfs/dbraw/zinc/85/08/90/608850890.db2.gz BDICUDBSFANSOE-PHXNAMCJSA-N -1 3 381.867 3.607 20 0 GHADHM Cc1cnc([C@@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000826317807 608883484 /nfs/dbraw/zinc/88/34/84/608883484.db2.gz NQXWRVVUZLEPCP-CQSZACIVSA-N -1 3 376.420 3.915 20 0 GHADHM Cc1cnc([C@@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000826317807 608883487 /nfs/dbraw/zinc/88/34/87/608883487.db2.gz NQXWRVVUZLEPCP-CQSZACIVSA-N -1 3 376.420 3.915 20 0 GHADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nc2ccccc2[nH]1 ZINC000824539168 609136378 /nfs/dbraw/zinc/13/63/78/609136378.db2.gz MENGSHMYZUWQAV-SGTLLEGYSA-N -1 3 379.443 3.930 20 0 GHADHM C[C@@H](NCc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611792 609136891 /nfs/dbraw/zinc/13/68/91/609136891.db2.gz FCLGYGRRDNUZDY-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824611792 609136893 /nfs/dbraw/zinc/13/68/93/609136893.db2.gz FCLGYGRRDNUZDY-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826373282 609151714 /nfs/dbraw/zinc/15/17/14/609151714.db2.gz GYMKIWUACILONO-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826373282 609151716 /nfs/dbraw/zinc/15/17/16/609151716.db2.gz GYMKIWUACILONO-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc(F)c1[C@H](NCc1cccc(-c2nnn[n-]2)c1F)C(F)(F)F ZINC000826377606 609152349 /nfs/dbraw/zinc/15/23/49/609152349.db2.gz YNQAKLUWPAUSGU-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc(F)c1[C@H](NCc1cccc(-c2nn[n-]n2)c1F)C(F)(F)F ZINC000826377606 609152351 /nfs/dbraw/zinc/15/23/51/609152351.db2.gz YNQAKLUWPAUSGU-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539428 609155405 /nfs/dbraw/zinc/15/54/05/609155405.db2.gz NWIGRNUOCBKXBQ-RNODOKPDSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539428 609155406 /nfs/dbraw/zinc/15/54/06/609155406.db2.gz NWIGRNUOCBKXBQ-RNODOKPDSA-N -1 3 392.413 3.980 20 0 GHADHM COCCOc1cc(C)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826161238 609158099 /nfs/dbraw/zinc/15/80/99/609158099.db2.gz YJTKQLMZNUNCMQ-GOSISDBHSA-N -1 3 379.464 3.690 20 0 GHADHM COCCOc1cc(C)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826161238 609158100 /nfs/dbraw/zinc/15/81/00/609158100.db2.gz YJTKQLMZNUNCMQ-GOSISDBHSA-N -1 3 379.464 3.690 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826269731 609158538 /nfs/dbraw/zinc/15/85/38/609158538.db2.gz VKINYZNJDNLZRA-NRFANRHFSA-N -1 3 390.491 3.501 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826269731 609158541 /nfs/dbraw/zinc/15/85/41/609158541.db2.gz VKINYZNJDNLZRA-NRFANRHFSA-N -1 3 390.491 3.501 20 0 GHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000826291690 609182412 /nfs/dbraw/zinc/18/24/12/609182412.db2.gz RCYMVPBCAMYYNJ-QAPCUYQASA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000826291690 609182414 /nfs/dbraw/zinc/18/24/14/609182414.db2.gz RCYMVPBCAMYYNJ-QAPCUYQASA-N -1 3 379.464 3.906 20 0 GHADHM COc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826216456 609199381 /nfs/dbraw/zinc/19/93/81/609199381.db2.gz ZSDLMGLZIDFNEK-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826216456 609199382 /nfs/dbraw/zinc/19/93/82/609199382.db2.gz ZSDLMGLZIDFNEK-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824385674 609233730 /nfs/dbraw/zinc/23/37/30/609233730.db2.gz YWVGZUIQYQEVRT-QWHCGFSZSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824385674 609233732 /nfs/dbraw/zinc/23/37/32/609233732.db2.gz YWVGZUIQYQEVRT-QWHCGFSZSA-N -1 3 397.866 3.606 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000826249904 609235819 /nfs/dbraw/zinc/23/58/19/609235819.db2.gz AOKIIAXUAKVCDS-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000826249904 609235820 /nfs/dbraw/zinc/23/58/20/609235820.db2.gz AOKIIAXUAKVCDS-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM COCCc1nc2cc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)ccc2o1 ZINC000826163266 609242741 /nfs/dbraw/zinc/24/27/41/609242741.db2.gz MQUAZVRZWIIXFF-KRWDZBQOSA-N -1 3 390.447 3.686 20 0 GHADHM COCCc1nc2cc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc2o1 ZINC000826163266 609242742 /nfs/dbraw/zinc/24/27/42/609242742.db2.gz MQUAZVRZWIIXFF-KRWDZBQOSA-N -1 3 390.447 3.686 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1SC ZINC000825332591 609260157 /nfs/dbraw/zinc/26/01/57/609260157.db2.gz JHFYCVICTCFNRR-UHFFFAOYSA-N -1 3 382.493 3.592 20 0 GHADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455224 609267880 /nfs/dbraw/zinc/26/78/80/609267880.db2.gz FKMFFSXOUAAQAD-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455224 609267882 /nfs/dbraw/zinc/26/78/82/609267882.db2.gz FKMFFSXOUAAQAD-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662424 609276152 /nfs/dbraw/zinc/27/61/52/609276152.db2.gz JVVPLPKAWYEBJX-AWEZNQCLSA-N -1 3 394.454 3.805 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662424 609276153 /nfs/dbraw/zinc/27/61/53/609276153.db2.gz JVVPLPKAWYEBJX-AWEZNQCLSA-N -1 3 394.454 3.805 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(C3CCCCC3)c2C)s1 ZINC000825694170 609279834 /nfs/dbraw/zinc/27/98/34/609279834.db2.gz MMQDKDFIQYBOKQ-UHFFFAOYSA-N -1 3 385.497 3.753 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(C3CCCCC3)c2C)s1 ZINC000825694170 609279836 /nfs/dbraw/zinc/27/98/36/609279836.db2.gz MMQDKDFIQYBOKQ-UHFFFAOYSA-N -1 3 385.497 3.753 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826306687 609299910 /nfs/dbraw/zinc/29/99/10/609299910.db2.gz HYFRWNIPEMDCFP-HIFRSBDPSA-N -1 3 381.867 3.847 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826306687 609299911 /nfs/dbraw/zinc/29/99/11/609299911.db2.gz HYFRWNIPEMDCFP-HIFRSBDPSA-N -1 3 381.867 3.847 20 0 GHADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(F)c1 ZINC000824029867 609310495 /nfs/dbraw/zinc/31/04/95/609310495.db2.gz RZRGTLYZRQHWCU-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(F)c1 ZINC000824029867 609310497 /nfs/dbraw/zinc/31/04/97/609310497.db2.gz RZRGTLYZRQHWCU-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826155572 609314974 /nfs/dbraw/zinc/31/49/74/609314974.db2.gz UUWQMDAUFQEBQF-GFCCVEGCSA-N -1 3 377.514 3.588 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826155572 609314975 /nfs/dbraw/zinc/31/49/75/609314975.db2.gz UUWQMDAUFQEBQF-GFCCVEGCSA-N -1 3 377.514 3.588 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2ncccc2-c2nnn[n-]2)on1 ZINC000826213592 609324758 /nfs/dbraw/zinc/32/47/58/609324758.db2.gz CWQICRHVZLATNV-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2ncccc2-c2nn[n-]n2)on1 ZINC000826213592 609324759 /nfs/dbraw/zinc/32/47/59/609324759.db2.gz CWQICRHVZLATNV-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825195926 609327186 /nfs/dbraw/zinc/32/71/86/609327186.db2.gz ZVWNWGVZALQVMZ-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825195926 609327188 /nfs/dbraw/zinc/32/71/88/609327188.db2.gz ZVWNWGVZALQVMZ-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536935 609328845 /nfs/dbraw/zinc/32/88/45/609328845.db2.gz ALMZJADLIIXMDK-XIKOKIGWSA-N -1 3 379.443 3.930 20 0 GHADHM CC(C)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536935 609328847 /nfs/dbraw/zinc/32/88/47/609328847.db2.gz ALMZJADLIIXMDK-XIKOKIGWSA-N -1 3 379.443 3.930 20 0 GHADHM CSCc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826229148 609343107 /nfs/dbraw/zinc/34/31/07/609343107.db2.gz RGOAYJWCCHFGGY-UHFFFAOYSA-N -1 3 391.504 3.742 20 0 GHADHM CSCc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826229148 609343108 /nfs/dbraw/zinc/34/31/08/609343108.db2.gz RGOAYJWCCHFGGY-UHFFFAOYSA-N -1 3 391.504 3.742 20 0 GHADHM C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658024 609347308 /nfs/dbraw/zinc/34/73/08/609347308.db2.gz UHNMYAZBDTVTJI-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658024 609347309 /nfs/dbraw/zinc/34/73/09/609347309.db2.gz UHNMYAZBDTVTJI-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000826210658 609348414 /nfs/dbraw/zinc/34/84/14/609348414.db2.gz ZOEUWTZRXJQBPK-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000826210658 609348415 /nfs/dbraw/zinc/34/84/15/609348415.db2.gz ZOEUWTZRXJQBPK-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826426570 609350726 /nfs/dbraw/zinc/35/07/26/609350726.db2.gz QLCWDLIUCZQDBI-KRWDZBQOSA-N -1 3 383.402 3.806 20 0 GHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826426570 609350728 /nfs/dbraw/zinc/35/07/28/609350728.db2.gz QLCWDLIUCZQDBI-KRWDZBQOSA-N -1 3 383.402 3.806 20 0 GHADHM CC(C)OCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824315526 609352695 /nfs/dbraw/zinc/35/26/95/609352695.db2.gz QXAAVMCQGKSTJM-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM CC(C)OCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824315526 609352697 /nfs/dbraw/zinc/35/26/97/609352697.db2.gz QXAAVMCQGKSTJM-UHFFFAOYSA-N -1 3 382.420 3.631 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824874220 609363336 /nfs/dbraw/zinc/36/33/36/609363336.db2.gz BEFPYQXYDRZIRD-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824874220 609363338 /nfs/dbraw/zinc/36/33/38/609363338.db2.gz BEFPYQXYDRZIRD-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826328356 609367098 /nfs/dbraw/zinc/36/70/98/609367098.db2.gz OJMIJMQHGCOLBO-SNVBAGLBSA-N -1 3 379.449 3.668 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826328356 609367099 /nfs/dbraw/zinc/36/70/99/609367099.db2.gz OJMIJMQHGCOLBO-SNVBAGLBSA-N -1 3 379.449 3.668 20 0 GHADHM CCC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000825200788 609376003 /nfs/dbraw/zinc/37/60/03/609376003.db2.gz CVOUFHDAIKQYDM-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CCC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000825200788 609376005 /nfs/dbraw/zinc/37/60/05/609376005.db2.gz CVOUFHDAIKQYDM-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826377348 609388446 /nfs/dbraw/zinc/38/84/46/609388446.db2.gz NWGMDWQUHQPSBY-OAHLLOKOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826377348 609388448 /nfs/dbraw/zinc/38/84/48/609388448.db2.gz NWGMDWQUHQPSBY-OAHLLOKOSA-N -1 3 393.344 3.603 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)n1 ZINC000825740693 609425294 /nfs/dbraw/zinc/42/52/94/609425294.db2.gz YQSHFEMNUPTDBJ-OAHLLOKOSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)n1 ZINC000825740693 609425295 /nfs/dbraw/zinc/42/52/95/609425295.db2.gz YQSHFEMNUPTDBJ-OAHLLOKOSA-N -1 3 391.504 3.818 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000826286735 609450797 /nfs/dbraw/zinc/45/07/97/609450797.db2.gz ODALSRGBTLXUCJ-KRWDZBQOSA-N -1 3 377.492 3.791 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000826286735 609450798 /nfs/dbraw/zinc/45/07/98/609450798.db2.gz ODALSRGBTLXUCJ-KRWDZBQOSA-N -1 3 377.492 3.791 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000826286736 609450896 /nfs/dbraw/zinc/45/08/96/609450896.db2.gz ODALSRGBTLXUCJ-QGZVFWFLSA-N -1 3 377.492 3.791 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000826286736 609450897 /nfs/dbraw/zinc/45/08/97/609450897.db2.gz ODALSRGBTLXUCJ-QGZVFWFLSA-N -1 3 377.492 3.791 20 0 GHADHM C[C@H](NC(=O)Nc1nccs1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505868 609454862 /nfs/dbraw/zinc/45/48/62/609454862.db2.gz IPQBHLMYYLJFAL-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1nccs1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505868 609454864 /nfs/dbraw/zinc/45/48/64/609454864.db2.gz IPQBHLMYYLJFAL-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM COCc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826164859 609482451 /nfs/dbraw/zinc/48/24/51/609482451.db2.gz UJTQZBIIDKNXFS-UHFFFAOYSA-N -1 3 391.431 3.797 20 0 GHADHM COCc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826164859 609482454 /nfs/dbraw/zinc/48/24/54/609482454.db2.gz UJTQZBIIDKNXFS-UHFFFAOYSA-N -1 3 391.431 3.797 20 0 GHADHM Brc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)c2ncccc12 ZINC000823827372 609487218 /nfs/dbraw/zinc/48/72/18/609487218.db2.gz ZSZJMLQTBBALKI-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Brc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)c2ncccc12 ZINC000823827372 609487219 /nfs/dbraw/zinc/48/72/19/609487219.db2.gz ZSZJMLQTBBALKI-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccccc1 ZINC000826231913 609488837 /nfs/dbraw/zinc/48/88/37/609488837.db2.gz NZFWVAAYHSPMHE-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccccc1 ZINC000826231913 609488838 /nfs/dbraw/zinc/48/88/38/609488838.db2.gz NZFWVAAYHSPMHE-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC000825348663 609499325 /nfs/dbraw/zinc/49/93/25/609499325.db2.gz VHNQPUPJHGKKMM-UHFFFAOYSA-N -1 3 383.431 3.522 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC000825348663 609499326 /nfs/dbraw/zinc/49/93/26/609499326.db2.gz VHNQPUPJHGKKMM-UHFFFAOYSA-N -1 3 383.431 3.522 20 0 GHADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826308618 609499671 /nfs/dbraw/zinc/49/96/71/609499671.db2.gz HVYKJCVPOVLVFE-UHFFFAOYSA-N -1 3 380.633 3.565 20 0 GHADHM Cc1ccnc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826308618 609499672 /nfs/dbraw/zinc/49/96/72/609499672.db2.gz HVYKJCVPOVLVFE-UHFFFAOYSA-N -1 3 380.633 3.565 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC1CCCC1 ZINC000826187174 609500021 /nfs/dbraw/zinc/50/00/21/609500021.db2.gz CZRYIHYBJIAHKH-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC1CCCC1 ZINC000826187174 609500023 /nfs/dbraw/zinc/50/00/23/609500023.db2.gz CZRYIHYBJIAHKH-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM Fc1ccc(COc2c(F)cc(F)cc2Br)c(-c2nnn[n-]2)c1 ZINC000826372590 609505048 /nfs/dbraw/zinc/50/50/48/609505048.db2.gz DNRAIDJQWGZWGJ-UHFFFAOYSA-N -1 3 385.143 3.626 20 0 GHADHM Fc1ccc(COc2c(F)cc(F)cc2Br)c(-c2nn[n-]n2)c1 ZINC000826372590 609505049 /nfs/dbraw/zinc/50/50/49/609505049.db2.gz DNRAIDJQWGZWGJ-UHFFFAOYSA-N -1 3 385.143 3.626 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc([C@H]2CCCOC2)cc1 ZINC000826460621 609509148 /nfs/dbraw/zinc/50/91/48/609509148.db2.gz KZZQVSQFMOCWQC-AWEZNQCLSA-N -1 3 395.488 3.563 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc([C@H]2CCCOC2)cc1 ZINC000826460621 609509149 /nfs/dbraw/zinc/50/91/49/609509149.db2.gz KZZQVSQFMOCWQC-AWEZNQCLSA-N -1 3 395.488 3.563 20 0 GHADHM Cc1ccnc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826311648 609531744 /nfs/dbraw/zinc/53/17/44/609531744.db2.gz KDTUKTFWLPWSCT-RKDXNWHRSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccnc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826311648 609531745 /nfs/dbraw/zinc/53/17/45/609531745.db2.gz KDTUKTFWLPWSCT-RKDXNWHRSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000826284099 609532809 /nfs/dbraw/zinc/53/28/09/609532809.db2.gz KFIBWKUVYSHWNO-UHFFFAOYSA-N -1 3 387.390 3.693 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000826284099 609532810 /nfs/dbraw/zinc/53/28/10/609532810.db2.gz KFIBWKUVYSHWNO-UHFFFAOYSA-N -1 3 387.390 3.693 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(OC3CCCC3)nc2)c1-c1nnn[n-]1 ZINC000826240296 609536047 /nfs/dbraw/zinc/53/60/47/609536047.db2.gz LWRNQRNSMJSWFA-UHFFFAOYSA-N -1 3 385.859 3.552 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(OC3CCCC3)nc2)c1-c1nn[n-]n1 ZINC000826240296 609536048 /nfs/dbraw/zinc/53/60/48/609536048.db2.gz LWRNQRNSMJSWFA-UHFFFAOYSA-N -1 3 385.859 3.552 20 0 GHADHM C[C@@H]1C[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824867265 609559230 /nfs/dbraw/zinc/55/92/30/609559230.db2.gz OTBUKCKEBLDPIJ-WBVHZDCISA-N -1 3 397.523 3.699 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1ccccn1 ZINC000683470746 837385442 /nfs/dbraw/zinc/38/54/42/837385442.db2.gz UYFLXUIDNZGZOU-QGZVFWFLSA-N -1 3 398.260 3.663 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000683475574 837387993 /nfs/dbraw/zinc/38/79/93/837387993.db2.gz XFABPXHZFROAFK-UHFFFAOYSA-N -1 3 391.187 3.705 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(N3CCCC3)cc1C)c2=O ZINC000613200657 837392464 /nfs/dbraw/zinc/39/24/64/837392464.db2.gz JODZZAKJBDHYLB-UHFFFAOYSA-N -1 3 377.444 3.698 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000176490741 837396724 /nfs/dbraw/zinc/39/67/24/837396724.db2.gz WSUDQKIWTVOMOW-UHFFFAOYSA-N -1 3 399.472 3.889 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000121398017 837430709 /nfs/dbraw/zinc/43/07/09/837430709.db2.gz MIULBVOPEHXNLF-SFHVURJKSA-N -1 3 388.489 3.612 20 0 GHADHM COCc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000549013024 837511214 /nfs/dbraw/zinc/51/12/14/837511214.db2.gz QNTODJKWSSHFKG-UHFFFAOYSA-N -1 3 378.457 3.960 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000187069768 837550700 /nfs/dbraw/zinc/55/07/00/837550700.db2.gz MHDGSGTXGUZJMD-UHFFFAOYSA-N -1 3 379.331 3.842 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)ccc1F ZINC000187074201 837551985 /nfs/dbraw/zinc/55/19/85/837551985.db2.gz RPJVKZQNNITIKB-UHFFFAOYSA-N -1 3 388.464 3.624 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2N(C)C ZINC000414387712 837585305 /nfs/dbraw/zinc/58/53/05/837585305.db2.gz ZEEDLJMMHZMYOW-INIZCTEOSA-N -1 3 380.897 3.834 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000547617644 834376669 /nfs/dbraw/zinc/37/66/69/834376669.db2.gz VFZCJWVQTUHUEF-DBVUQKKJSA-N -1 3 389.455 3.760 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)Cc3ccccc3Br)ccc2o1 ZINC000561756968 834626764 /nfs/dbraw/zinc/62/67/64/834626764.db2.gz BZINZDVGNDEAKF-UHFFFAOYSA-N -1 3 381.251 3.841 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1cccc(Cl)c1Br ZINC000683142289 834681625 /nfs/dbraw/zinc/68/16/25/834681625.db2.gz MBZJFFKGWRLQEC-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C(C)(C)C)CC2)cc1OC ZINC000530461884 834792182 /nfs/dbraw/zinc/79/21/82/834792182.db2.gz IPNNDFGOVAZPRG-UHFFFAOYSA-N -1 3 397.541 3.747 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@]2(CCSC2)C1 ZINC000579804190 834822093 /nfs/dbraw/zinc/82/20/93/834822093.db2.gz BSLAHAXWSXQSNJ-INIZCTEOSA-N -1 3 385.327 3.583 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000683171397 834910756 /nfs/dbraw/zinc/91/07/56/834910756.db2.gz JOERHAHVOJSSRE-LEWJYISDSA-N -1 3 385.460 3.559 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000655051068 835042466 /nfs/dbraw/zinc/04/24/66/835042466.db2.gz MQQBDMZCAITQNZ-UHFFFAOYSA-N -1 3 375.831 3.814 20 0 GHADHM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(Cl)sc2Cl)c1 ZINC000151171475 835138548 /nfs/dbraw/zinc/13/85/48/835138548.db2.gz RFWYMYUGZJNTOL-UHFFFAOYSA-N -1 3 397.280 3.697 20 0 GHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)s1 ZINC000683219213 835226713 /nfs/dbraw/zinc/22/67/13/835226713.db2.gz JASNJQMWKWOVKB-UHFFFAOYSA-N -1 3 389.309 3.786 20 0 GHADHM COC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC001211602938 835245178 /nfs/dbraw/zinc/24/51/78/835245178.db2.gz LYHHQUODBMYMGC-UHFFFAOYSA-N -1 3 394.320 3.785 20 0 GHADHM C[C@H]1CN(CCC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000187373326 835310938 /nfs/dbraw/zinc/31/09/38/835310938.db2.gz UTADUHVZUFZBAR-KBPBESRZSA-N -1 3 398.906 3.536 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccc(Br)cc2)C(C)C)c(=O)[n-]1 ZINC000510122558 835527809 /nfs/dbraw/zinc/52/78/09/835527809.db2.gz YOFHYOZLJOSDCW-UHFFFAOYSA-N -1 3 392.297 3.541 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151563167 835538673 /nfs/dbraw/zinc/53/86/73/835538673.db2.gz MKCHCPOQCBLCQR-UHFFFAOYSA-N -1 3 398.260 3.850 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151583241 835557782 /nfs/dbraw/zinc/55/77/82/835557782.db2.gz SEFHNMAJJRIOGR-UHFFFAOYSA-N -1 3 376.250 3.742 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000151612876 835655781 /nfs/dbraw/zinc/65/57/81/835655781.db2.gz GAAPYOQIEIQAHE-NWDGAFQWSA-N -1 3 382.204 3.853 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431627891 835670764 /nfs/dbraw/zinc/67/07/64/835670764.db2.gz KVLWWQQRGCXMNH-HNNXBMFYSA-N -1 3 375.824 3.771 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CCOCC1 ZINC000509867606 844081613 /nfs/dbraw/zinc/08/16/13/844081613.db2.gz QTHDTXSQIBJNDG-ZDUSSCGKSA-N -1 3 385.835 3.842 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ocnc3C3CC3)cc2)cc1 ZINC000584199182 835753570 /nfs/dbraw/zinc/75/35/70/835753570.db2.gz URZKVCWWHQTJMT-UHFFFAOYSA-N -1 3 397.456 3.914 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000893734946 844099372 /nfs/dbraw/zinc/09/93/72/844099372.db2.gz KTYWLQAFFJMAES-LSDHHAIUSA-N -1 3 397.313 3.503 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(Br)c2F)c([O-])c1 ZINC000430278535 835904039 /nfs/dbraw/zinc/90/40/39/835904039.db2.gz JDGZSJAHQUQAOO-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1c(F)c(F)cc(F)c1F ZINC000584368584 835931345 /nfs/dbraw/zinc/93/13/45/835931345.db2.gz XUUBNHQEAOVNKU-UHFFFAOYSA-N -1 3 390.283 3.610 20 0 GHADHM Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(Cl)cc1F ZINC000511333078 835941369 /nfs/dbraw/zinc/94/13/69/835941369.db2.gz KZEONXAIMKRCKN-UHFFFAOYSA-N -1 3 382.620 3.872 20 0 GHADHM CCSc1cc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)ccn1 ZINC001211616859 835944432 /nfs/dbraw/zinc/94/44/32/835944432.db2.gz HWEWVISNGLTMCR-UHFFFAOYSA-N -1 3 391.543 3.796 20 0 GHADHM CCCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1=O ZINC000065857377 836038888 /nfs/dbraw/zinc/03/88/88/836038888.db2.gz BEXYYQYYODGGNI-UHFFFAOYSA-N -1 3 394.802 3.731 20 0 GHADHM O=C(NC[C@H]1CC2CCC1CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584471958 836040880 /nfs/dbraw/zinc/04/08/80/836040880.db2.gz WLHODMPXFAGYFD-WXRRBKDZSA-N -1 3 389.293 3.847 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2cccc(Sc3ccccc3)c2)CCOCC1 ZINC000650177984 836069708 /nfs/dbraw/zinc/06/97/08/836069708.db2.gz XQKSHZMPVKCJNS-UHFFFAOYSA-N -1 3 393.530 3.775 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3c3ccncc3)cc2)cc(=O)[n-]1 ZINC000509889511 844125225 /nfs/dbraw/zinc/12/52/25/844125225.db2.gz FWSMIOGPKJYVKB-IBGZPJMESA-N -1 3 375.432 3.922 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000045743840 836171371 /nfs/dbraw/zinc/17/13/71/836171371.db2.gz FLJPJSDZMOESSY-CYBMUJFWSA-N -1 3 385.316 3.798 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000109432123 836185894 /nfs/dbraw/zinc/18/58/94/836185894.db2.gz OKQMFITZAHXNAF-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429977347 844154826 /nfs/dbraw/zinc/15/48/26/844154826.db2.gz APSILOUHVCUXCV-JMSVASOKSA-N -1 3 377.286 3.704 20 0 GHADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(OC)cc2[O-])cc1 ZINC000443560922 836304755 /nfs/dbraw/zinc/30/47/55/836304755.db2.gz ADPVQWHGZVSUMH-UHFFFAOYSA-N -1 3 377.396 3.893 20 0 GHADHM CCCOc1cccc(CCNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)c1 ZINC000433434539 844161256 /nfs/dbraw/zinc/16/12/56/844161256.db2.gz PEHDKTPYBXMGAJ-UHFFFAOYSA-N -1 3 378.476 3.672 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc2cnn(C)c2c1 ZINC000570137276 836450316 /nfs/dbraw/zinc/45/03/16/836450316.db2.gz ODGTWWPYNQXCAD-UHFFFAOYSA-N -1 3 389.864 3.760 20 0 GHADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(Cl)c(Br)c1 ZINC000683344072 836543008 /nfs/dbraw/zinc/54/30/08/836543008.db2.gz KNXXJCGNCZDZBN-UHFFFAOYSA-N -1 3 386.658 3.551 20 0 GHADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2cnc3c(cnn3C)c2[O-])CC1 ZINC000473316562 844178640 /nfs/dbraw/zinc/17/86/40/844178640.db2.gz QIXOSAWYXWVVSY-UHFFFAOYSA-N -1 3 398.894 3.911 20 0 GHADHM C[C@H](Oc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1)c1ccccc1 ZINC000472556940 836594632 /nfs/dbraw/zinc/59/46/32/836594632.db2.gz QBTIHKGMUCKBKN-HNNXBMFYSA-N -1 3 375.428 3.521 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC[C@@H]1C1OCCO1 ZINC000094085335 836654063 /nfs/dbraw/zinc/65/40/63/836654063.db2.gz RJJBQUHHJURBOT-HXUWFJFHSA-N -1 3 381.472 3.545 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000057305197 836810502 /nfs/dbraw/zinc/81/05/02/836810502.db2.gz HIJXUXAKMGGMTL-MRXNPFEDSA-N -1 3 380.275 3.600 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414263707 836812736 /nfs/dbraw/zinc/81/27/36/836812736.db2.gz SPMKGKZSGHRPHC-SKVICXGVSA-N -1 3 386.395 3.968 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000430366308 836817367 /nfs/dbraw/zinc/81/73/67/836817367.db2.gz IEGSXSXQXXXTLI-MRXNPFEDSA-N -1 3 392.496 3.637 20 0 GHADHM O=C([O-])c1cc(N2CCN(Cc3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000013212270 836844093 /nfs/dbraw/zinc/84/40/93/836844093.db2.gz HAFFRCUIZKPHFH-UHFFFAOYSA-N -1 3 391.427 3.768 20 0 GHADHM Fc1cccnc1[N-]c1nc(Cl)c(Br)nc1Br ZINC001209805974 836857800 /nfs/dbraw/zinc/85/78/00/836857800.db2.gz RESYCVVSMWKFRG-UHFFFAOYSA-N -1 3 382.418 3.933 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)c(F)cc1F ZINC000175789232 837005389 /nfs/dbraw/zinc/00/53/89/837005389.db2.gz WKDITHUPIXFQON-KXBFYZLASA-N -1 3 381.444 3.719 20 0 GHADHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c[n-]c2ccccc2c1=O ZINC000134256984 837054619 /nfs/dbraw/zinc/05/46/19/837054619.db2.gz SAWFWRBSVITWCG-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c(C)c1 ZINC000175915486 837073947 /nfs/dbraw/zinc/07/39/47/837073947.db2.gz BBZOMLMHPGHQNF-GFCCVEGCSA-N -1 3 396.534 3.947 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccs1 ZINC000549316221 837835175 /nfs/dbraw/zinc/83/51/75/837835175.db2.gz QBFULQOWZVTXRT-JTQLQIEISA-N -1 3 381.445 3.566 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000728260779 838068332 /nfs/dbraw/zinc/06/83/32/838068332.db2.gz OSRGJWACYHLYDD-YOEHRIQHSA-N -1 3 384.517 3.601 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@H](c2ccsc2)O1 ZINC000412183529 838330928 /nfs/dbraw/zinc/33/09/28/838330928.db2.gz HWBYZLNTKUMWKA-MEDUHNTESA-N -1 3 388.876 3.845 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)nnn1-c1ccc(C)cc1 ZINC000182142538 838334991 /nfs/dbraw/zinc/33/49/91/838334991.db2.gz VKXSVNWHPHCJRH-UHFFFAOYSA-N -1 3 382.474 3.716 20 0 GHADHM CC(C)(C)c1ccc(C(F)(F)C(=O)[N-][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC001267736987 838464157 /nfs/dbraw/zinc/46/41/57/838464157.db2.gz YGXWGEBMNUOHBG-INIZCTEOSA-N -1 3 378.394 3.558 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)sc1Cl ZINC000188102997 838521805 /nfs/dbraw/zinc/52/18/05/838521805.db2.gz YWKXYUJUXWPSFL-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM CCC[C@H](C)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240655 838660635 /nfs/dbraw/zinc/66/06/35/838660635.db2.gz YYDGKJMFXXJHOW-HNNXBMFYSA-N -1 3 390.505 3.548 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCC(OC2CCCC2)CC1 ZINC000659786994 838668744 /nfs/dbraw/zinc/66/87/44/838668744.db2.gz YRRHUGQZXPLCCE-QGZVFWFLSA-N -1 3 382.298 3.998 20 0 GHADHM COCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c(Cl)c1 ZINC000187478275 838730917 /nfs/dbraw/zinc/73/09/17/838730917.db2.gz OOYIWWGEVWFWIT-KRWDZBQOSA-N -1 3 386.835 3.635 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(Br)c1 ZINC000129501421 838793065 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3 380.223 3.822 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c(=O)[n-]1 ZINC000580245720 839108112 /nfs/dbraw/zinc/10/81/12/839108112.db2.gz AJAOSMCTTVUQOW-KRWDZBQOSA-N -1 3 392.381 3.633 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052433053 844407198 /nfs/dbraw/zinc/40/71/98/844407198.db2.gz BUFLDZBUJHKDDX-FZKQIMNGSA-N -1 3 393.484 3.605 20 0 GHADHM O=S(=O)([N-]CCCn1ccc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000325810322 839171838 /nfs/dbraw/zinc/17/18/38/839171838.db2.gz YTXDKNJFLXTQMU-UHFFFAOYSA-N -1 3 384.288 3.712 20 0 GHADHM O=C([O-])c1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c(Br)c1 ZINC000580330248 839288691 /nfs/dbraw/zinc/28/86/91/839288691.db2.gz CZGJMOKQIKMSAS-DOTOQJQBSA-N -1 3 382.298 3.520 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000184136674 839439227 /nfs/dbraw/zinc/43/92/27/839439227.db2.gz DCGBEGMGVRWOPE-HVHJFMEUSA-N -1 3 381.885 3.888 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1noc(-c2ccccc2)n1 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3 390.480 3.887 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(NC(C)=O)cc3)c2)n1 ZINC000500371068 840282376 /nfs/dbraw/zinc/28/23/76/840282376.db2.gz QPYBNRBHSFTNCW-UHFFFAOYSA-N -1 3 390.443 3.551 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431908667 840283323 /nfs/dbraw/zinc/28/33/23/840283323.db2.gz FLNZRYXZUGKVKC-UHFFFAOYSA-N -1 3 378.251 3.536 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000042390080 840366252 /nfs/dbraw/zinc/36/62/52/840366252.db2.gz LKUKBYAXUHEONJ-UHFFFAOYSA-N -1 3 376.434 3.605 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1)c1ccccc1 ZINC000473018534 840389289 /nfs/dbraw/zinc/38/92/89/840389289.db2.gz ZNSFODASKKPJHH-GFCCVEGCSA-N -1 3 390.365 3.894 20 0 GHADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160686594 840414992 /nfs/dbraw/zinc/41/49/92/840414992.db2.gz SBXDMRBZLFIWRQ-OAHLLOKOSA-N -1 3 392.377 3.844 20 0 GHADHM COc1cc(C)c([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C 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ATNONOQUYUYWJZ-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM COc1cccc(CCC(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610486152 840850561 /nfs/dbraw/zinc/85/05/61/840850561.db2.gz NHGTXGBWDPSINO-UHFFFAOYSA-N -1 3 397.212 3.577 20 0 GHADHM CCn1c(C)cc(C(=O)Nc2cc(I)ccc2[O-])c1C ZINC000610490703 840981113 /nfs/dbraw/zinc/98/11/13/840981113.db2.gz HHTDQKIFTZWHND-UHFFFAOYSA-N -1 3 384.217 3.687 20 0 GHADHM COc1ccc(CN[C@@H](CSCC=C(C)C)C(=O)[O-])c(Br)c1 ZINC000417622945 841061912 /nfs/dbraw/zinc/06/19/12/841061912.db2.gz IFLLZRLGQPPDJT-HNNXBMFYSA-N -1 3 388.327 3.700 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000417624318 841076378 /nfs/dbraw/zinc/07/63/78/841076378.db2.gz KGXZENANPNOPNF-CQSZACIVSA-N -1 3 376.291 3.830 20 0 GHADHM O=C([O-])[C@H](Cc1ccccc1Br)NCc1csc(C2CC2)n1 ZINC000417637542 841088371 /nfs/dbraw/zinc/08/83/71/841088371.db2.gz ZAXOFGSJMRWKLS-AWEZNQCLSA-N -1 3 381.295 3.569 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000068832739 841165682 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CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c1 ZINC000656631822 841626991 /nfs/dbraw/zinc/62/69/91/841626991.db2.gz QAOVHPOQUDTINR-ZDUSSCGKSA-N -1 3 394.468 3.506 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000651821877 841659366 /nfs/dbraw/zinc/65/93/66/841659366.db2.gz ZVOZEWYNELXVJM-OAHLLOKOSA-N -1 3 397.846 3.842 20 0 GHADHM CCc1cc2c(CSc3nnc(N(C)C)n3C(C)C)cc(=O)oc2cc1[O-] ZINC000728788088 841661953 /nfs/dbraw/zinc/66/19/53/841661953.db2.gz DUEXUDHAPPZOHW-UHFFFAOYSA-N -1 3 388.493 3.592 20 0 GHADHM CC(C)c1ccc(OC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000581557539 841668839 /nfs/dbraw/zinc/66/88/39/841668839.db2.gz NKBATWQINUXWHA-UHFFFAOYSA-N -1 3 381.476 3.867 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCCC[C@H]12 ZINC000656769132 841907121 /nfs/dbraw/zinc/90/71/21/841907121.db2.gz YRABIONCGYDDIP-BZUAXINKSA-N -1 3 375.856 3.855 20 0 GHADHM CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc([O-])ccc2Cl)ccn1 ZINC000581681723 842007036 /nfs/dbraw/zinc/00/70/36/842007036.db2.gz DNGDJEMWLWAGAV-UHFFFAOYSA-N -1 3 397.818 3.845 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)c(C)c1Cl ZINC000029388693 842052508 /nfs/dbraw/zinc/05/25/08/842052508.db2.gz NYNXWBYMPCUCLV-UHFFFAOYSA-N -1 3 384.749 3.532 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)c(C)c1Cl ZINC000029388693 842052518 /nfs/dbraw/zinc/05/25/18/842052518.db2.gz NYNXWBYMPCUCLV-UHFFFAOYSA-N -1 3 384.749 3.532 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1ccccc1Br ZINC000759948464 842079395 /nfs/dbraw/zinc/07/93/95/842079395.db2.gz MGJWPFTUVHTQDH-LLVKDONJSA-N -1 3 392.297 3.738 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1)C1CCCCC1 ZINC000656897469 842144020 /nfs/dbraw/zinc/14/40/20/842144020.db2.gz MIGAFJNXDZAPJY-ZWKOTPCHSA-N -1 3 394.562 3.747 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3csc(Nc4ccccn4)n3)[nH][n-]2)c1 ZINC000605882934 842206636 /nfs/dbraw/zinc/20/66/36/842206636.db2.gz QNJOXLIPCHSXNA-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cnc4c(cnn4C)c3[O-])sc2C)s1 ZINC000512032663 842213810 /nfs/dbraw/zinc/21/38/10/842213810.db2.gz ICSLVVUHEVHAIX-UHFFFAOYSA-N -1 3 385.474 3.728 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653327977 842247028 /nfs/dbraw/zinc/24/70/28/842247028.db2.gz BWUGVHJQCIFOBG-AEFFLSMTSA-N -1 3 378.428 3.537 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000178162432 842280674 /nfs/dbraw/zinc/28/06/74/842280674.db2.gz LUBUTMJGHMMOIZ-JKSUJKDBSA-N -1 3 380.444 3.597 20 0 GHADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730810161 861297559 /nfs/dbraw/zinc/29/75/59/861297559.db2.gz YORWVIAEJWFBSZ-JTQLQIEISA-N -1 3 382.295 3.844 20 0 GHADHM CCNc1cc(C)ccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000276625780 842385685 /nfs/dbraw/zinc/38/56/85/842385685.db2.gz MXDJAMPOCVFWRR-UHFFFAOYSA-N -1 3 391.475 3.864 20 0 GHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1c(Cl)cccc1Cl ZINC000432261738 842438524 /nfs/dbraw/zinc/43/85/24/842438524.db2.gz GMFLCCZDAXZGGC-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)c1ccco1 ZINC000656938465 842467723 /nfs/dbraw/zinc/46/77/23/842467723.db2.gz LJKIEGFKVFTRAO-UXHICEINSA-N -1 3 393.505 3.502 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1Cl ZINC000432489397 842665096 /nfs/dbraw/zinc/66/50/96/842665096.db2.gz KSNSNDOFJAZRRM-MRXNPFEDSA-N -1 3 396.896 3.535 20 0 GHADHM O=C(Nc1ncccc1[O-])c1csc(-c2ccc(Br)s2)n1 ZINC000606530219 842699166 /nfs/dbraw/zinc/69/91/66/842699166.db2.gz CWLSCKRUGVIVMT-UHFFFAOYSA-N -1 3 382.264 3.987 20 0 GHADHM O=S(=O)(C=Cc1cccc(Br)c1)[N-]c1cccc2n[nH]cc21 ZINC000255391477 842742955 /nfs/dbraw/zinc/74/29/55/842742955.db2.gz ABTMLKJUFJNSKK-FPLPWBNLSA-N -1 3 378.251 3.738 20 0 GHADHM O=C([O-])[C@@H]1CCCCN1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662204358 842878071 /nfs/dbraw/zinc/87/80/71/842878071.db2.gz HSZXGXKHJQWBFB-NSHDSACASA-N -1 3 396.203 3.829 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C(F)(F)F)c1 ZINC000409490852 842892712 /nfs/dbraw/zinc/89/27/12/842892712.db2.gz KNLBDCZZXMBCMG-MRXNPFEDSA-N -1 3 389.395 3.676 20 0 GHADHM Cn1nc(C(F)(F)F)cc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000663261311 842940561 /nfs/dbraw/zinc/94/05/61/842940561.db2.gz AHVPBFMTGBIWQN-SFHVURJKSA-N -1 3 381.398 3.580 20 0 GHADHM COc1ccc(-c2nc(Cc3noc(-c4cc(OC)ccc4[O-])n3)co2)cc1 ZINC000184839385 842976030 /nfs/dbraw/zinc/97/60/30/842976030.db2.gz CBHVTYOPNLIENX-UHFFFAOYSA-N -1 3 379.372 3.705 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1 ZINC000471875631 843153805 /nfs/dbraw/zinc/15/38/05/843153805.db2.gz JYOPWQBUBWXSEA-ZDUSSCGKSA-N -1 3 389.452 3.619 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c1 ZINC000150820704 843321040 /nfs/dbraw/zinc/32/10/40/843321040.db2.gz MZZKPZJJGKVQTO-UHFFFAOYSA-N -1 3 393.820 3.853 20 0 GHADHM CCOC(=O)c1cc2cc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)ccc2[nH]1 ZINC000512326577 843381306 /nfs/dbraw/zinc/38/13/06/843381306.db2.gz SWEULBIKTTXZEK-UHFFFAOYSA-N -1 3 388.427 3.717 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2F)C[C@H](C)O1 ZINC000108074111 843455255 /nfs/dbraw/zinc/45/52/55/843455255.db2.gz AFBNBKBEJPWSDD-BETUJISGSA-N -1 3 398.887 3.894 20 0 GHADHM CSCCO[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000279880838 843456225 /nfs/dbraw/zinc/45/62/25/843456225.db2.gz FCEAMZULLXLBLT-UHFFFAOYSA-N -1 3 399.310 3.756 20 0 GHADHM O=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1cccc([O-])c1F ZINC000535659350 843494117 /nfs/dbraw/zinc/49/41/17/843494117.db2.gz TVLWFXCQXQTOAP-UHFFFAOYSA-N -1 3 398.463 3.806 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(I)ccc1[O-] ZINC000610674179 843502403 /nfs/dbraw/zinc/50/24/03/843502403.db2.gz AKUCHKSBJFTIPF-LLVKDONJSA-N -1 3 391.249 3.777 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1F ZINC000474918876 861435554 /nfs/dbraw/zinc/43/55/54/861435554.db2.gz NIPCSYOYAHHRDJ-UHFFFAOYSA-N -1 3 386.383 3.513 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c(Cl)c1 ZINC000161094406 843612108 /nfs/dbraw/zinc/61/21/08/843612108.db2.gz IWSHTRAMQSWHDX-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM CCCNc1ccccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000276885507 843636992 /nfs/dbraw/zinc/63/69/92/843636992.db2.gz SYOBIDCSIHDDOO-UHFFFAOYSA-N -1 3 391.475 3.946 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cc(Br)ccc1F ZINC000500601255 843718390 /nfs/dbraw/zinc/71/83/90/843718390.db2.gz KZMKBMYPWRDGAR-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500612687 843734252 /nfs/dbraw/zinc/73/42/52/843734252.db2.gz VNGNDDKAMQNOLJ-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1Cl ZINC000431167454 843763000 /nfs/dbraw/zinc/76/30/00/843763000.db2.gz DCFYUWWKQJGKAK-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM CCn1cncc1S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000512432719 843778660 /nfs/dbraw/zinc/77/86/60/843778660.db2.gz SEKKFFSXBYREQH-INIZCTEOSA-N -1 3 383.395 3.638 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2COCc2ccccc2)c(=O)[n-]1 ZINC000614055906 843834622 /nfs/dbraw/zinc/83/46/22/843834622.db2.gz WVGPICCOQVWZKQ-UHFFFAOYSA-N -1 3 377.444 3.697 20 0 GHADHM O=C(COC(=O)CC1CCC(c2ccccc2)CC1)[N-]C(=O)c1cccs1 ZINC000731100147 861465775 /nfs/dbraw/zinc/46/57/75/861465775.db2.gz XRZFAEISMSHINL-UHFFFAOYSA-N -1 3 385.485 3.912 20 0 GHADHM COc1cccc(CCC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000512848607 843881332 /nfs/dbraw/zinc/88/13/32/843881332.db2.gz HLMVGDMWNWJSIL-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM Cc1nc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cs1 ZINC000512856738 843893382 /nfs/dbraw/zinc/89/33/82/843893382.db2.gz RWKJXWADQGTGNY-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3noc(-c4ccccc4)n3)c2)n1 ZINC000433303840 843991755 /nfs/dbraw/zinc/99/17/55/843991755.db2.gz JHFMXGYIKRUDPS-UHFFFAOYSA-N -1 3 387.399 3.714 20 0 GHADHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001211531597 844764288 /nfs/dbraw/zinc/76/42/88/844764288.db2.gz XUFGUXMGFGHWGB-WDEREUQCSA-N -1 3 383.316 3.531 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)c2ccccc2c1 ZINC000644987853 844813669 /nfs/dbraw/zinc/81/36/69/844813669.db2.gz YLSARWAFSUWMFJ-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)c2ccccc2c1 ZINC000644987853 844813675 /nfs/dbraw/zinc/81/36/75/844813675.db2.gz YLSARWAFSUWMFJ-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1Br ZINC000152146460 844862750 /nfs/dbraw/zinc/86/27/50/844862750.db2.gz FZVIDKCBXQGACA-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)Nc1nnc(C(F)F)s1 ZINC000190150353 844874011 /nfs/dbraw/zinc/87/40/11/844874011.db2.gz RHDORTDEKIGZCN-UHFFFAOYSA-N -1 3 397.176 3.631 20 0 GHADHM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000588482220 844932075 /nfs/dbraw/zinc/93/20/75/844932075.db2.gz CRHYJNTYEFKSJH-SLWQEBJJSA-N -1 3 379.865 3.920 20 0 GHADHM CCOc1nccc(C)c1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000433617596 845069664 /nfs/dbraw/zinc/06/96/64/845069664.db2.gz LKMRVDGYXDDAIF-UHFFFAOYSA-N -1 3 378.432 3.766 20 0 GHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000433610278 845086646 /nfs/dbraw/zinc/08/66/46/845086646.db2.gz PGBTYFPHOWKIKJ-UHFFFAOYSA-N -1 3 397.880 3.618 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(I)ccc2[O-])CCO1 ZINC000611556294 845235475 /nfs/dbraw/zinc/23/54/75/845235475.db2.gz LUWCVKIMTWUSLV-ZYHUDNBSSA-N -1 3 389.233 3.531 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1csc(-c2ccccc2Cl)n1 ZINC000433088881 845256638 /nfs/dbraw/zinc/25/66/38/845256638.db2.gz DRGNZEXXHWGMKJ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(F)cc1OC(F)F ZINC001267031629 845367910 /nfs/dbraw/zinc/36/79/10/845367910.db2.gz BSYFDAIUWGVOOO-SNVBAGLBSA-N -1 3 376.334 3.760 20 0 GHADHM O=c1[n-]cnc2c1CN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC000433805478 845386932 /nfs/dbraw/zinc/38/69/32/845386932.db2.gz NNJHEAHWDPJPPS-UHFFFAOYSA-N -1 3 379.420 3.556 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(Cl)ccc1Br ZINC000429854546 845393845 /nfs/dbraw/zinc/39/38/45/845393845.db2.gz QBLCGRZEUIQJPM-UHOFOFEASA-N -1 3 398.709 3.719 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000179408557 861568482 /nfs/dbraw/zinc/56/84/82/861568482.db2.gz XMWWIMYMFYBWCU-UHFFFAOYSA-N -1 3 391.427 3.746 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1C ZINC000434003216 845721183 /nfs/dbraw/zinc/72/11/83/845721183.db2.gz NGGAXRNDQKUOCT-UHFFFAOYSA-N -1 3 384.413 3.685 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000582084175 846266050 /nfs/dbraw/zinc/26/60/50/846266050.db2.gz GYNNOIXSKMMCDZ-UHFFFAOYSA-N -1 3 384.457 3.864 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000472169744 846394708 /nfs/dbraw/zinc/39/47/08/846394708.db2.gz HJNANGHWUBSRAA-ZDUSSCGKSA-N -1 3 395.290 3.562 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000502746406 846426359 /nfs/dbraw/zinc/42/63/59/846426359.db2.gz FOONVJPJVCBSHK-UHFFFAOYSA-N -1 3 382.729 3.897 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)cc1 ZINC000421738143 846533928 /nfs/dbraw/zinc/53/39/28/846533928.db2.gz PVMJUSLCFCZUSX-KRWDZBQOSA-N -1 3 380.416 3.780 20 0 GHADHM COC(=O)c1ccc(-c2nc(CSCc3cc(=O)[n-]c(C4CC4)n3)co2)cc1 ZINC000419464727 846582329 /nfs/dbraw/zinc/58/23/29/846582329.db2.gz RPHVPACJGSVHCW-UHFFFAOYSA-N -1 3 397.456 3.935 20 0 GHADHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc(=O)c2ccccc2[n-]1 ZINC000277507483 846599144 /nfs/dbraw/zinc/59/91/44/846599144.db2.gz JOTRENZSXUOEHC-JTHBVZDNSA-N -1 3 394.446 3.583 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502917517 846612213 /nfs/dbraw/zinc/61/22/13/846612213.db2.gz XUIPHVRXQJLHFJ-UHFFFAOYSA-N -1 3 395.912 3.549 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C(C)C)cc1 ZINC000501159742 846691202 /nfs/dbraw/zinc/69/12/02/846691202.db2.gz ZAMZMDWWRRDWDT-CQSZACIVSA-N -1 3 393.480 3.645 20 0 GHADHM COC(=O)[C@H](CNC(=O)[C@@H](C)c1cc2ccccc2o1)Cc1ccc([O-])c(F)c1 ZINC000422046499 846779631 /nfs/dbraw/zinc/77/96/31/846779631.db2.gz TXYLKKNAHGPMKU-BBRMVZONSA-N -1 3 399.418 3.529 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000503144167 846831899 /nfs/dbraw/zinc/83/18/99/846831899.db2.gz GJKKJADHWATDJQ-KRWDZBQOSA-N -1 3 387.553 3.822 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OCC(F)(F)F)cc1 ZINC000503153531 846847517 /nfs/dbraw/zinc/84/75/17/846847517.db2.gz XQQVLITYMSKRGN-SECBINFHSA-N -1 3 382.317 3.529 20 0 GHADHM Cc1nc(NC(=O)c2cc(F)cc3n[n-]nc32)sc1Cc1cccc(F)c1 ZINC000503164092 846850174 /nfs/dbraw/zinc/85/01/74/846850174.db2.gz FWXKSANIYZFLLF-UHFFFAOYSA-N -1 3 385.399 3.844 20 0 GHADHM CCCCc1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2)N(CC)CC)s1 ZINC000503161009 846856591 /nfs/dbraw/zinc/85/65/91/846856591.db2.gz RVVTZNBUOKGCKE-INIZCTEOSA-N -1 3 375.542 3.507 20 0 GHADHM O=C([O-])[C@@H]1CCCCCC[C@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000277547140 846871682 /nfs/dbraw/zinc/87/16/82/846871682.db2.gz ZYJXUOODJOPWCM-RHSMWYFYSA-N -1 3 380.851 3.573 20 0 GHADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000277547131 846871989 /nfs/dbraw/zinc/87/19/89/846871989.db2.gz ZYJXUOODJOPWCM-PBHICJAKSA-N -1 3 380.851 3.573 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nccn1CC(C)C ZINC000501451432 846935016 /nfs/dbraw/zinc/93/50/16/846935016.db2.gz OVWZEELXSGYKDM-UHFFFAOYSA-N -1 3 381.885 3.726 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)N(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000501555931 847017004 /nfs/dbraw/zinc/01/70/04/847017004.db2.gz YHXGXQBPWXUJKT-HNNXBMFYSA-N -1 3 391.475 3.804 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1nc(C)ccc1[O-] ZINC000501737597 847143030 /nfs/dbraw/zinc/14/30/30/847143030.db2.gz XWZGEDLSTGIFQJ-NRFANRHFSA-N -1 3 392.503 3.531 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179762348 861759255 /nfs/dbraw/zinc/75/92/55/861759255.db2.gz TWMGTEDZXVLKTD-UHFFFAOYSA-N -1 3 394.397 3.794 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000501805885 847188503 /nfs/dbraw/zinc/18/85/03/847188503.db2.gz XPHGTXMNBMFKJS-UHFFFAOYSA-N -1 3 376.478 3.933 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)[N-]c3nc(COC)ns3)s2)cc1 ZINC000273075745 847245209 /nfs/dbraw/zinc/24/52/09/847245209.db2.gz KDXILWURTLTBHH-UHFFFAOYSA-N -1 3 390.490 3.767 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875918 847260892 /nfs/dbraw/zinc/26/08/92/847260892.db2.gz MMVCCNNCHCFJKK-AWEZNQCLSA-N -1 3 378.394 3.758 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CC)ccc2C)c(C)c1 ZINC000501862806 847286485 /nfs/dbraw/zinc/28/64/85/847286485.db2.gz QFTJPHHRBJBYIA-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1cccs1 ZINC000159116036 847477093 /nfs/dbraw/zinc/47/70/93/847477093.db2.gz LRDCQFRMMAIGQK-VIFPVBQESA-N -1 3 392.424 3.881 20 0 GHADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1ccc(Cl)nc1Cl ZINC000731676677 861807872 /nfs/dbraw/zinc/80/78/72/861807872.db2.gz RLDZLKYQCOAYJU-UHFFFAOYSA-N -1 3 389.329 3.992 20 0 GHADHM CCN(CCc1nccs1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000159331275 847624471 /nfs/dbraw/zinc/62/44/71/847624471.db2.gz UTOJLLAFIPPFCK-UHFFFAOYSA-N -1 3 386.502 3.766 20 0 GHADHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000158587322 847695924 /nfs/dbraw/zinc/69/59/24/847695924.db2.gz DNHLWXLTYRTUSK-HNNXBMFYSA-N -1 3 391.874 3.819 20 0 GHADHM CC(C)C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000503426606 847700628 /nfs/dbraw/zinc/70/06/28/847700628.db2.gz MKLLWNVHCLQFAM-KRWDZBQOSA-N -1 3 395.912 3.624 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C ZINC000421143866 847780855 /nfs/dbraw/zinc/78/08/55/847780855.db2.gz AVQOOEDFOPOAHR-GOSISDBHSA-N -1 3 386.473 3.649 20 0 GHADHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)nc12 ZINC000673824741 861828979 /nfs/dbraw/zinc/82/89/79/861828979.db2.gz PWWIPIRJDQGACC-UHFFFAOYSA-N -1 3 398.315 3.779 20 0 GHADHM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000421161901 847796836 /nfs/dbraw/zinc/79/68/36/847796836.db2.gz YIXHQSHQRLHNBI-UHFFFAOYSA-N -1 3 393.452 3.908 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]cc3-c3cccc(OC)c3)nc21 ZINC000503595625 847822085 /nfs/dbraw/zinc/82/20/85/847822085.db2.gz GUBLIRINBGLMFH-UHFFFAOYSA-N -1 3 390.399 3.606 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)c1ccc(F)cn1 ZINC000503684112 847886897 /nfs/dbraw/zinc/88/68/97/847886897.db2.gz XWTHVBWKVOLMHY-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934582171 847989338 /nfs/dbraw/zinc/98/93/38/847989338.db2.gz KAJZOYBFNDSGRN-SFHVURJKSA-N -1 3 396.393 3.983 20 0 GHADHM O=c1nc(COc2cccc(C(F)(F)F)n2)[n-]c2sc3c(c21)CCCC3 ZINC000179938767 861860168 /nfs/dbraw/zinc/86/01/68/861860168.db2.gz WSFOVDFSYHLNFF-UHFFFAOYSA-N -1 3 381.379 3.856 20 0 GHADHM O=C([O-])[C@H](c1cccnc1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000582730205 848178538 /nfs/dbraw/zinc/17/85/38/848178538.db2.gz KWWYAFZXPGLRMU-UZLBHIALSA-N -1 3 398.507 3.983 20 0 GHADHM C[C@@H]1C[C@H](C)[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000582991542 848834071 /nfs/dbraw/zinc/83/40/71/848834071.db2.gz URSIAVHXJGVDSG-SBMIAAHKSA-N -1 3 390.241 3.770 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000731915350 861957133 /nfs/dbraw/zinc/95/71/33/861957133.db2.gz HUGVDVGWLILDEP-HXUWFJFHSA-N -1 3 392.411 3.641 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccccc4OC(C)(C)C3)nc2)n1 ZINC000583046242 848944446 /nfs/dbraw/zinc/94/44/46/848944446.db2.gz JFTAABGIASMEHQ-UHFFFAOYSA-N -1 3 376.460 3.984 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1Cl ZINC000192417780 861976790 /nfs/dbraw/zinc/97/67/90/861976790.db2.gz UFHKOPUXORRSJP-UHFFFAOYSA-N -1 3 382.747 3.576 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000569627758 849645239 /nfs/dbraw/zinc/64/52/39/849645239.db2.gz VBYCPWVOXVHZLF-UHFFFAOYSA-N -1 3 398.846 3.918 20 0 GHADHM O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504147994 849923750 /nfs/dbraw/zinc/92/37/50/849923750.db2.gz ADHYFBFTPZIELG-UHFFFAOYSA-N -1 3 394.481 3.719 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000486751974 850054623 /nfs/dbraw/zinc/05/46/23/850054623.db2.gz DOVHFCYXNNDEDI-PBHICJAKSA-N -1 3 397.541 3.889 20 0 GHADHM O=C(CCc1ccc2ccccc2n1)NCc1ccc([O-])c(Br)c1 ZINC000486768559 850071971 /nfs/dbraw/zinc/07/19/71/850071971.db2.gz NUIWNQCPAKUWAW-UHFFFAOYSA-N -1 3 385.261 3.952 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)[n-]1 ZINC000426420899 850076246 /nfs/dbraw/zinc/07/62/46/850076246.db2.gz NTTCJKAJQZMNBN-UHFFFAOYSA-N -1 3 399.410 3.916 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1cccs1 ZINC000435221636 850227430 /nfs/dbraw/zinc/22/74/30/850227430.db2.gz YXJCMAZEYVWNOK-UHFFFAOYSA-N -1 3 392.315 3.906 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cc(F)ccc1Br ZINC000435209664 850234244 /nfs/dbraw/zinc/23/42/44/850234244.db2.gz DBSMUYATUSNEGH-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM O=S(=O)([N-]CCOC1CCCCCC1)c1cc(F)ccc1Br ZINC000435225564 850241404 /nfs/dbraw/zinc/24/14/04/850241404.db2.gz JXQVMHWUSXXNLW-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435224746 850242238 /nfs/dbraw/zinc/24/22/38/850242238.db2.gz GCSQXZIJMSCTAI-RYUDHWBXSA-N -1 3 382.320 3.541 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc(F)ccc1Br ZINC000435228627 850245399 /nfs/dbraw/zinc/24/53/99/850245399.db2.gz BMCREVDPVOHLAC-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3cccc(OC)c3)[n-]c(=O)c21 ZINC000435228167 850246500 /nfs/dbraw/zinc/24/65/00/850246500.db2.gz XTTYWWPHLSRUFY-NSHDSACASA-N -1 3 385.445 3.687 20 0 GHADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000424261294 850322261 /nfs/dbraw/zinc/32/22/61/850322261.db2.gz OXNUBWFDRFVFSL-FCHUYYIVSA-N -1 3 394.515 3.806 20 0 GHADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000908750395 850323117 /nfs/dbraw/zinc/32/31/17/850323117.db2.gz FYURHWOUNQLZRM-VQTJNVASSA-N -1 3 387.524 3.546 20 0 GHADHM CC1(C)CCC[C@@](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)(C(=O)[O-])C1 ZINC000908751478 850329211 /nfs/dbraw/zinc/32/92/11/850329211.db2.gz MLEAWJAZSDMRFJ-AVRDEDQJSA-N -1 3 387.524 3.546 20 0 GHADHM O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc(Cl)cc1[O-] ZINC000439761430 850361167 /nfs/dbraw/zinc/36/11/67/850361167.db2.gz ZXBMFNGOIVNROG-UHFFFAOYSA-N -1 3 398.640 3.761 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccsc1 ZINC000908801539 850369318 /nfs/dbraw/zinc/36/93/18/850369318.db2.gz IEQSJLHPUUADOM-OXQOHEQNSA-N -1 3 395.569 3.854 20 0 GHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000506675030 850386978 /nfs/dbraw/zinc/38/69/78/850386978.db2.gz IZAHXRAWCYAXQR-UHFFFAOYSA-N -1 3 397.287 3.559 20 0 GHADHM Cc1nc(CN2CCC(CNC(=O)c3cc4ccccc4cc3[O-])CC2)oc1C ZINC000518985571 850456231 /nfs/dbraw/zinc/45/62/31/850456231.db2.gz MDAIEVUPIVJKCZ-UHFFFAOYSA-N -1 3 393.487 3.792 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000518989881 850472527 /nfs/dbraw/zinc/47/25/27/850472527.db2.gz ZEALYZQGAQTFHN-KGLIPLIRSA-N -1 3 393.484 3.511 20 0 GHADHM CC[C@@](NC(=O)c1cccc(CN2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000908941730 850481744 /nfs/dbraw/zinc/48/17/44/850481744.db2.gz VLXCXPLQHLNYBR-QHCPKHFHSA-N -1 3 380.488 3.792 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435431911 850490439 /nfs/dbraw/zinc/49/04/39/850490439.db2.gz KWFBDKVLIKGQIW-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000908991127 850522273 /nfs/dbraw/zinc/52/22/73/850522273.db2.gz YFQOJJYGRWKABQ-GHTZIAJQSA-N -1 3 397.519 3.754 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000908997390 850525032 /nfs/dbraw/zinc/52/50/32/850525032.db2.gz KURJBBGJWIIGCD-GHTZIAJQSA-N -1 3 395.503 3.508 20 0 GHADHM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1cccnc1Sc1ccccc1 ZINC000043767150 850525776 /nfs/dbraw/zinc/52/57/76/850525776.db2.gz KHKAXIQAUOBZQC-UHFFFAOYSA-N -1 3 397.887 3.890 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435440675 850529271 /nfs/dbraw/zinc/52/92/71/850529271.db2.gz YTMHUTFFZOPDDH-SFYZADRCSA-N -1 3 395.287 3.804 20 0 GHADHM CC(=O)CCc1ccc2oc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c(C)c2c1 ZINC000514995917 850564222 /nfs/dbraw/zinc/56/42/22/850564222.db2.gz XEFMCEDFLBZROV-UHFFFAOYSA-N -1 3 378.388 3.893 20 0 GHADHM COCCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1 ZINC000909224774 850646983 /nfs/dbraw/zinc/64/69/83/850646983.db2.gz SVXHAAMIWKPTHD-UHFFFAOYSA-N -1 3 377.466 3.783 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1cc(F)ccc1Br ZINC000435587686 850676620 /nfs/dbraw/zinc/67/66/20/850676620.db2.gz IHDDLYGMXMCBHC-MQMHXKEQSA-N -1 3 384.270 3.813 20 0 GHADHM CCC1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])CC1 ZINC000909318043 850690916 /nfs/dbraw/zinc/69/09/16/850690916.db2.gz RJGJQLHIGMCMEE-ASNBIDDJSA-N -1 3 390.499 3.578 20 0 GHADHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000732224400 862157746 /nfs/dbraw/zinc/15/77/46/862157746.db2.gz UCOQFNLCKLNVOR-NSHDSACASA-N -1 3 396.962 3.619 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(Cl)c(OC)c1 ZINC001299258340 862159275 /nfs/dbraw/zinc/15/92/75/862159275.db2.gz IZRWLNABQBKVSU-UHFFFAOYSA-N -1 3 394.761 3.729 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909748914 850772339 /nfs/dbraw/zinc/77/23/39/850772339.db2.gz JIFUHBHNMGSDNR-PXNSSMCTSA-N -1 3 398.478 3.540 20 0 GHADHM O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1[O-] ZINC000515205843 850783851 /nfs/dbraw/zinc/78/38/51/850783851.db2.gz GUOLDIZYFASYKW-UHFFFAOYSA-N -1 3 396.262 3.657 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCC1Cc2ccccc2C1)c1ccco1 ZINC000519231465 850787275 /nfs/dbraw/zinc/78/72/75/850787275.db2.gz BJSXDRVXIZQVEG-HXUWFJFHSA-N -1 3 391.533 3.718 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@H]2CCC[C@H](C)C2)cc1OC ZINC000604423877 862195855 /nfs/dbraw/zinc/19/58/55/862195855.db2.gz ISNAGMMCEJCYCX-LSDHHAIUSA-N -1 3 397.541 3.795 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)c12 ZINC000910358695 851149055 /nfs/dbraw/zinc/14/90/55/851149055.db2.gz YPBCQWPYSKSWCH-CZUORRHYSA-N -1 3 396.516 3.503 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC000894425438 851290102 /nfs/dbraw/zinc/29/01/02/851290102.db2.gz MFBOXOYTWNVGDJ-VIFPVBQESA-N -1 3 377.416 3.713 20 0 GHADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1ncccc1[O-] ZINC000473637167 851329241 /nfs/dbraw/zinc/32/92/41/851329241.db2.gz ITQCIGJGMRYCAL-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000473641518 851353531 /nfs/dbraw/zinc/35/35/31/851353531.db2.gz NUWHWAFDCPLGQQ-UHFFFAOYSA-N -1 3 378.819 3.710 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110785924 851441274 /nfs/dbraw/zinc/44/12/74/851441274.db2.gz VYWDIPRIDZMJPS-UONOGXRCSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110785924 851441283 /nfs/dbraw/zinc/44/12/83/851441283.db2.gz VYWDIPRIDZMJPS-UONOGXRCSA-N -1 3 388.258 3.593 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000732392149 862254911 /nfs/dbraw/zinc/25/49/11/862254911.db2.gz BNMWSCSLZXYCHU-OAHLLOKOSA-N -1 3 382.338 3.626 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1Br ZINC000430093131 851561964 /nfs/dbraw/zinc/56/19/64/851561964.db2.gz DZTFFKLPYYOUCN-UHFFFAOYSA-N -1 3 395.054 3.534 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000732392522 862256998 /nfs/dbraw/zinc/25/69/98/862256998.db2.gz FLKHMIXNPIORJK-MRXNPFEDSA-N -1 3 395.242 3.615 20 0 GHADHM CC1CCN([C@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)c2cccs2)CC1 ZINC000911103623 851573906 /nfs/dbraw/zinc/57/39/06/851573906.db2.gz QHWZAPAZQWJFSI-VGOKWCNXSA-N -1 3 388.489 3.642 20 0 GHADHM CC1CCN([C@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2ccccc2)CC1 ZINC000911249460 851645496 /nfs/dbraw/zinc/64/54/96/851645496.db2.gz YPYLDDXJMOCHPO-LJQANCHMSA-N -1 3 384.520 3.611 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1C ZINC000911290809 851669853 /nfs/dbraw/zinc/66/98/53/851669853.db2.gz NTALSEMYWUQAQN-HNNXBMFYSA-N -1 3 392.496 3.750 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488655080 851687833 /nfs/dbraw/zinc/68/78/33/851687833.db2.gz IEOFXKPPNUQTCY-INIZCTEOSA-N -1 3 378.266 3.937 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)Cc3ccc(OC)cc3)nc2)n1 ZINC000555964222 862286029 /nfs/dbraw/zinc/28/60/29/862286029.db2.gz CFSQFRYMLIHQCW-HNNXBMFYSA-N -1 3 378.476 3.528 20 0 GHADHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000911863163 851924404 /nfs/dbraw/zinc/92/44/04/851924404.db2.gz JYXSADNPVHITEV-UHFFFAOYSA-N -1 3 384.505 3.766 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)ccc1OC(C)C ZINC000436474208 851961953 /nfs/dbraw/zinc/96/19/53/851961953.db2.gz DEUQGARLXASMHE-UHFFFAOYSA-N -1 3 390.440 3.507 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000517466490 852004003 /nfs/dbraw/zinc/00/40/03/852004003.db2.gz NPEMMFJUSUQXQF-UHFFFAOYSA-N -1 3 395.427 3.786 20 0 GHADHM CNc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000436527660 852017635 /nfs/dbraw/zinc/01/76/35/852017635.db2.gz USIBWORERFTHHK-UHFFFAOYSA-N -1 3 376.441 3.780 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2OC(F)F)c([O-])c1 ZINC000436527021 852018165 /nfs/dbraw/zinc/01/81/65/852018165.db2.gz KJIYIXBGCNWGIQ-UHFFFAOYSA-N -1 3 398.793 3.714 20 0 GHADHM COC(=O)c1occc1CN(C(=O)c1ccccc1[O-])[C@H](C)c1ccccn1 ZINC000436536380 852029148 /nfs/dbraw/zinc/02/91/48/852029148.db2.gz PXXNNOHMLDJBFO-CQSZACIVSA-N -1 3 380.400 3.570 20 0 GHADHM CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1Cl ZINC000436552319 852041198 /nfs/dbraw/zinc/04/11/98/852041198.db2.gz VUVDILQXBHRNRJ-UHFFFAOYSA-N -1 3 388.851 3.713 20 0 GHADHM CC1(C)CCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436557872 852045528 /nfs/dbraw/zinc/04/55/28/852045528.db2.gz SUIJSUOBYSGMQA-UXHICEINSA-N -1 3 380.488 3.948 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)NC(CC)CC)Oc3ccccc32)c1 ZINC000436544288 852058023 /nfs/dbraw/zinc/05/80/23/852058023.db2.gz OKEIHKWJXPNLHK-NRFANRHFSA-N -1 3 396.487 3.667 20 0 GHADHM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436589484 852097616 /nfs/dbraw/zinc/09/76/16/852097616.db2.gz PUJWLILWNVKETA-IBGZPJMESA-N -1 3 390.487 3.963 20 0 GHADHM O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000436602089 852103597 /nfs/dbraw/zinc/10/35/97/852103597.db2.gz JSTCIKFJASDCLQ-QGZVFWFLSA-N -1 3 396.878 3.941 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)CC2CCC2)c([O-])c1 ZINC000436603327 852104603 /nfs/dbraw/zinc/10/46/03/852104603.db2.gz ARIAPMGNEDRFPJ-UHFFFAOYSA-N -1 3 385.460 3.861 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436635985 852130142 /nfs/dbraw/zinc/13/01/42/852130142.db2.gz OEKJXMBXWRCHLA-UHFFFAOYSA-N -1 3 378.875 3.821 20 0 GHADHM CCOc1ncc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1Cl ZINC000112236579 852130990 /nfs/dbraw/zinc/13/09/90/852130990.db2.gz WVBUCWUWPWWPDM-UHFFFAOYSA-N -1 3 398.850 3.699 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1[O-] ZINC000436621641 852135841 /nfs/dbraw/zinc/13/58/41/852135841.db2.gz ANNWEPYLFCWZDP-HNNXBMFYSA-N -1 3 386.879 3.813 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(Cc3c(C)cc(C)cc3C)no2)c([O-])c1 ZINC000436692556 852203522 /nfs/dbraw/zinc/20/35/22/852203522.db2.gz YVBVQBYPVSFDMH-UHFFFAOYSA-N -1 3 379.460 3.572 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)cc1F ZINC000122370257 852217793 /nfs/dbraw/zinc/21/77/93/852217793.db2.gz BUIUOBPUPIJAFE-LLVKDONJSA-N -1 3 385.436 3.743 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1[O-] ZINC000436756257 852276044 /nfs/dbraw/zinc/27/60/44/852276044.db2.gz PEFCUOCPZSVODV-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000516217794 852276478 /nfs/dbraw/zinc/27/64/78/852276478.db2.gz RQWQJGTUKSECHS-UHFFFAOYSA-N -1 3 396.786 3.687 20 0 GHADHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436757686 852276880 /nfs/dbraw/zinc/27/68/80/852276880.db2.gz WDQQRYYNQHEMNA-UHFFFAOYSA-N -1 3 389.411 3.966 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1O ZINC000436759005 852278135 /nfs/dbraw/zinc/27/81/35/852278135.db2.gz QCNYDDOWEVCDAI-UHFFFAOYSA-N -1 3 382.441 3.754 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc3sc4ccccc4n23)no1 ZINC000436774344 852308277 /nfs/dbraw/zinc/30/82/77/852308277.db2.gz AUPWZORFPYKWLO-UHFFFAOYSA-N -1 3 381.442 3.992 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436780494 852316271 /nfs/dbraw/zinc/31/62/71/852316271.db2.gz OZNSQAVPFYFURJ-UHFFFAOYSA-N -1 3 394.515 3.607 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc(Br)c1O ZINC000426736708 852334898 /nfs/dbraw/zinc/33/48/98/852334898.db2.gz YMPHTQOQYDZTNJ-INIZCTEOSA-N -1 3 394.265 3.696 20 0 GHADHM CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1cccc(Cl)c1 ZINC000436790731 852346451 /nfs/dbraw/zinc/34/64/51/852346451.db2.gz PBFUBBLIZGAQHG-OAHLLOKOSA-N -1 3 376.840 3.591 20 0 GHADHM O=C(c1ccccc1[O-])N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000436793940 852352134 /nfs/dbraw/zinc/35/21/34/852352134.db2.gz TXYUVAOAWKJOPG-UHFFFAOYSA-N -1 3 390.277 3.976 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Br ZINC000426753534 852360494 /nfs/dbraw/zinc/36/04/94/852360494.db2.gz IYNRFVSGPYZTQP-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2ccccc2F)o1 ZINC000426755873 852362334 /nfs/dbraw/zinc/36/23/34/852362334.db2.gz GNBXCFCDRBVFJR-AWEZNQCLSA-N -1 3 397.328 3.544 20 0 GHADHM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NCc1coc(-c2ccccc2)n1 ZINC000426769789 852373412 /nfs/dbraw/zinc/37/34/12/852373412.db2.gz LVQWISKWNFLEBK-LJQANCHMSA-N -1 3 379.391 3.748 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000436828958 852377136 /nfs/dbraw/zinc/37/71/36/852377136.db2.gz KNILGZPZXWTPNG-NHCUHLMSSA-N -1 3 392.499 3.924 20 0 GHADHM Cc1ccc(-c2nc(CN[C@@H](Cc3ccc4c(c3)OCO4)C(=O)[O-])cs2)cc1 ZINC000426772574 852377396 /nfs/dbraw/zinc/37/73/96/852377396.db2.gz KRCPXAKIDCXOTN-KRWDZBQOSA-N -1 3 396.468 3.633 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Cc1ccccc1 ZINC000436832299 852382289 /nfs/dbraw/zinc/38/22/89/852382289.db2.gz HPOMRYZPJUPVQW-PZJWPPBQSA-N -1 3 394.515 3.628 20 0 GHADHM CCc1ccc(C(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436836846 852387308 /nfs/dbraw/zinc/38/73/08/852387308.db2.gz FOMSDXXKUADLFS-INIZCTEOSA-N -1 3 390.365 3.611 20 0 GHADHM Cn1nnc2cc(CN[C@@H](CCC(=O)[O-])c3ccc(Cl)c(Cl)c3)ccc21 ZINC000426796669 852407122 /nfs/dbraw/zinc/40/71/22/852407122.db2.gz CWDDBEOFBVWJMM-HNNXBMFYSA-N -1 3 393.274 3.971 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000517791246 852413999 /nfs/dbraw/zinc/41/39/99/852413999.db2.gz CDDIIDONLYQGCU-UHFFFAOYSA-N -1 3 383.466 3.834 20 0 GHADHM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 ZINC000426810626 852422076 /nfs/dbraw/zinc/42/20/76/852422076.db2.gz JEPQDTXFGSHERQ-MRXNPFEDSA-N -1 3 386.249 3.755 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000506996053 852436964 /nfs/dbraw/zinc/43/69/64/852436964.db2.gz ZKFQSIKEONWAHM-UHFFFAOYSA-N -1 3 388.276 3.928 20 0 GHADHM Cc1ccc(OCc2nc(CC(=O)NCc3ccc([O-])c(F)c3)cs2)cc1 ZINC000132997347 862359466 /nfs/dbraw/zinc/35/94/66/862359466.db2.gz ASBRGNNBKZDOTB-UHFFFAOYSA-N -1 3 386.448 3.734 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3cc(Br)ccc3F)no2)c1 ZINC000436905159 852469807 /nfs/dbraw/zinc/46/98/07/852469807.db2.gz ZMVJPWYWYXDMCV-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM COc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cc(OC)c1[O-] ZINC000436907100 852472610 /nfs/dbraw/zinc/47/26/10/852472610.db2.gz DHYJMQCAZQCSEY-ADLMAVQZSA-N -1 3 379.840 3.569 20 0 GHADHM CC(C)c1ccc(-c2nc(-c3ccc(S(=O)(=O)NC4CC4)cc3)no2)c([O-])c1 ZINC000436909794 852476850 /nfs/dbraw/zinc/47/68/50/852476850.db2.gz ZKBGKXJCIFGRSI-UHFFFAOYSA-N -1 3 399.472 3.673 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H]3CC[C@H](C)C3)cs2)c1 ZINC000436913250 852478719 /nfs/dbraw/zinc/47/87/19/852478719.db2.gz ISHGPRPYCXBOKN-JSGCOSHPSA-N -1 3 387.505 3.504 20 0 GHADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1OCCC(C)C ZINC000436930235 852511535 /nfs/dbraw/zinc/51/15/35/852511535.db2.gz WEWXNBDYSQEHDG-UHFFFAOYSA-N -1 3 399.491 3.677 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Oc3ccccc3)cc2)cc(=O)[n-]1 ZINC000506284977 852571832 /nfs/dbraw/zinc/57/18/32/852571832.db2.gz MDLZACMRVOVAHP-CQSZACIVSA-N -1 3 378.432 3.747 20 0 GHADHM CCCCOc1ccc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c([O-])c1 ZINC000436985051 852593173 /nfs/dbraw/zinc/59/31/73/852593173.db2.gz GLBZTQKUGIUDJW-UHFFFAOYSA-N -1 3 383.492 3.673 20 0 GHADHM COc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc(Cl)c1OCC(C)C ZINC000473852584 852621036 /nfs/dbraw/zinc/62/10/36/852621036.db2.gz UUDHPIUBUHWUIL-OAHLLOKOSA-N -1 3 393.871 3.632 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000489903221 852634996 /nfs/dbraw/zinc/63/49/96/852634996.db2.gz YLCMZEVCBKFJQY-OAHLLOKOSA-N -1 3 399.454 3.690 20 0 GHADHM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000509555168 852909202 /nfs/dbraw/zinc/90/92/02/852909202.db2.gz LDKJWGIUIWOSNN-UHFFFAOYSA-N -1 3 399.497 3.672 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3cccn3)c2)sc1Cl ZINC000473859882 853023913 /nfs/dbraw/zinc/02/39/13/853023913.db2.gz DISYXIVRZQCPKC-LBPRGKRZSA-N -1 3 381.910 3.935 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc(N4CCCC4=O)c(F)c3)cc(=O)oc12 ZINC000732670159 862431986 /nfs/dbraw/zinc/43/19/86/862431986.db2.gz VZLGDDJUYZKQCK-UHFFFAOYSA-N -1 3 382.391 3.685 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913302120 853224792 /nfs/dbraw/zinc/22/47/92/853224792.db2.gz OESJECSFYTURPA-ZIAGYGMSSA-N -1 3 381.432 3.655 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913302120 853224803 /nfs/dbraw/zinc/22/48/03/853224803.db2.gz OESJECSFYTURPA-ZIAGYGMSSA-N -1 3 381.432 3.655 20 0 GHADHM O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCc2c(nc[n-]c2=O)C1 ZINC000516994264 853240237 /nfs/dbraw/zinc/24/02/37/853240237.db2.gz HTKGLQKPUROOMS-IBGZPJMESA-N -1 3 377.469 3.601 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000437577261 853286632 /nfs/dbraw/zinc/28/66/32/853286632.db2.gz HPRGNGMHYAYXPH-DZGCQCFKSA-N -1 3 397.500 3.978 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](F)C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000517052441 853289944 /nfs/dbraw/zinc/28/99/44/853289944.db2.gz ZLLHDSYLTNWUEU-RKDXNWHRSA-N -1 3 387.636 3.564 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000506086292 853370024 /nfs/dbraw/zinc/37/00/24/853370024.db2.gz PBTWLFTWUUICAC-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000506086292 853370032 /nfs/dbraw/zinc/37/00/32/853370032.db2.gz PBTWLFTWUUICAC-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(=O)[n-]c(CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)n1 ZINC000894377196 853378588 /nfs/dbraw/zinc/37/85/88/853378588.db2.gz MGEBTHAAEUKWMF-UHFFFAOYSA-N -1 3 390.472 3.658 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000518509044 853442703 /nfs/dbraw/zinc/44/27/03/853442703.db2.gz MDRRJDGMPACIIL-UHFFFAOYSA-N -1 3 389.411 3.880 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(Br)c1 ZINC000517169738 853459127 /nfs/dbraw/zinc/45/91/27/853459127.db2.gz FFMONHAZZFWVGO-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440713048 853533875 /nfs/dbraw/zinc/53/38/75/853533875.db2.gz MPHYTCRCLALYIV-APWZRJJASA-N -1 3 377.444 3.679 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000440702325 853543111 /nfs/dbraw/zinc/54/31/11/853543111.db2.gz DKZUAVCLYMLNBI-IGGJQXEISA-N -1 3 383.835 3.742 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCc4[nH]c5ccc(F)cc5c4C3)cc(=O)oc12 ZINC000729480641 853576400 /nfs/dbraw/zinc/57/64/00/853576400.db2.gz KSAKEPKBROUFSP-UHFFFAOYSA-N -1 3 378.403 3.986 20 0 GHADHM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000517272670 853586369 /nfs/dbraw/zinc/58/63/69/853586369.db2.gz ZILXJBIPDJEHRU-UHFFFAOYSA-N -1 3 375.472 3.788 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000518689145 853644521 /nfs/dbraw/zinc/64/45/21/853644521.db2.gz ZWYSKHGFRLIGMK-LJQANCHMSA-N -1 3 397.368 3.816 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000517390820 853734132 /nfs/dbraw/zinc/73/41/32/853734132.db2.gz HKNRMMBKMUDYBA-HNNXBMFYSA-N -1 3 388.265 3.799 20 0 GHADHM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440984817 853795032 /nfs/dbraw/zinc/79/50/32/853795032.db2.gz SHAKJJPLLYEWKO-MRXNPFEDSA-N -1 3 394.393 3.877 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1CO ZINC000520102099 853838740 /nfs/dbraw/zinc/83/87/40/853838740.db2.gz XHHOAPALHRABJI-UHFFFAOYSA-N -1 3 395.480 3.950 20 0 GHADHM CCSc1nnc([N-]C(=O)c2cc(F)c(F)cc2Br)s1 ZINC000441284932 854056625 /nfs/dbraw/zinc/05/66/25/854056625.db2.gz LCFHILNUMSXNKL-UHFFFAOYSA-N -1 3 380.239 3.943 20 0 GHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481923527 862530362 /nfs/dbraw/zinc/53/03/62/862530362.db2.gz PDAPOKVMQIMXLG-UHFFFAOYSA-N -1 3 395.410 3.802 20 0 GHADHM O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473898428 854157551 /nfs/dbraw/zinc/15/75/51/854157551.db2.gz VFSINBFDYFAAST-UHFFFAOYSA-N -1 3 387.896 3.955 20 0 GHADHM O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473898428 854157556 /nfs/dbraw/zinc/15/75/56/854157556.db2.gz VFSINBFDYFAAST-UHFFFAOYSA-N -1 3 387.896 3.955 20 0 GHADHM O=C([O-])CCN(Cc1nc(-c2ccccc2Cl)cs1)C1CCOCC1 ZINC000571799770 854159484 /nfs/dbraw/zinc/15/94/84/854159484.db2.gz KFBZVGZLKMKCTA-UHFFFAOYSA-N -1 3 380.897 3.919 20 0 GHADHM Cc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000112630057 854278589 /nfs/dbraw/zinc/27/85/89/854278589.db2.gz PTFUGJAIOMKQLA-UHFFFAOYSA-N -1 3 377.263 3.591 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)sc1Cl ZINC000473930085 854311019 /nfs/dbraw/zinc/31/10/19/854311019.db2.gz AKVXETWVOQGCPX-UHFFFAOYSA-N -1 3 381.910 3.873 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cccc(Br)c1Cl ZINC000572184994 854436252 /nfs/dbraw/zinc/43/62/52/854436252.db2.gz XXZDAWCUNPIUPD-MRVPVSSYSA-N -1 3 388.661 3.959 20 0 GHADHM CC1(C)CC(=O)c2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c(=O)[nH]c2C1 ZINC000125266961 854693923 /nfs/dbraw/zinc/69/39/23/854693923.db2.gz JRFJIMRVEGOBOR-UHFFFAOYSA-N -1 3 394.349 3.507 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000125539076 862597891 /nfs/dbraw/zinc/59/78/91/862597891.db2.gz GFPHRKXNXQBWPU-UHFFFAOYSA-N -1 3 383.351 3.572 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000127087629 854794535 /nfs/dbraw/zinc/79/45/35/854794535.db2.gz LEUINWIYCKMUEO-UHFFFAOYSA-N -1 3 388.431 3.907 20 0 GHADHM CSc1nc(C2CC2)nc(C)c1C(=O)[N-]NC(=O)CCC1CCCCC1 ZINC000073309485 862607681 /nfs/dbraw/zinc/60/76/81/862607681.db2.gz XCULNHLBSPJRBO-UHFFFAOYSA-N -1 3 376.526 3.506 20 0 GHADHM CCCOc1ccc(NC(=O)c2cnc3cc(OC)cc(OC)c3c2[O-])c(C)c1 ZINC000624490427 854844506 /nfs/dbraw/zinc/84/45/06/854844506.db2.gz CPFWQELKUHVWQY-UHFFFAOYSA-N -1 3 396.443 3.895 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1Cl ZINC000589437339 854876559 /nfs/dbraw/zinc/87/65/59/854876559.db2.gz WONZCENQRDHZSL-UHFFFAOYSA-N -1 3 398.271 3.989 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1C ZINC000589437024 854893738 /nfs/dbraw/zinc/89/37/38/854893738.db2.gz SCMYSDDWRUCGTF-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM CC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000589479837 854901275 /nfs/dbraw/zinc/90/12/75/854901275.db2.gz FRWNRHWENRZRJG-HNNXBMFYSA-N -1 3 390.505 3.675 20 0 GHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cnc(OCC2CC2)cn1 ZINC000572742194 854959093 /nfs/dbraw/zinc/95/90/93/854959093.db2.gz YHLQYLGGIJRBMC-UHFFFAOYSA-N -1 3 384.180 3.558 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(Cc2ccccc2F)CC1 ZINC000188911947 854959240 /nfs/dbraw/zinc/95/92/40/854959240.db2.gz IRIVFELVLCXJHR-UHFFFAOYSA-N -1 3 378.241 3.933 20 0 GHADHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc(F)c(F)c1 ZINC000572804939 854995344 /nfs/dbraw/zinc/99/53/44/854995344.db2.gz VZOVHWIJZJSVET-UHFFFAOYSA-N -1 3 393.187 3.845 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000055663625 855052098 /nfs/dbraw/zinc/05/20/98/855052098.db2.gz DGMXGKMDSBHQGM-UHFFFAOYSA-N -1 3 376.453 3.877 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CNC(=O)c3ccc([O-])cc3)c2)C1 ZINC000589692562 855110579 /nfs/dbraw/zinc/11/05/79/855110579.db2.gz AMUHCWQRJLQBPX-KKSFZXQISA-N -1 3 396.487 3.856 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cc(Br)ccc1Cl ZINC000589889378 855176866 /nfs/dbraw/zinc/17/68/66/855176866.db2.gz MXKJHAYDDHPODK-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1ccsc1Cl ZINC000189739943 855188712 /nfs/dbraw/zinc/18/87/12/855188712.db2.gz HXOFWDXTPVWIEV-UHFFFAOYSA-N -1 3 378.862 3.946 20 0 GHADHM COc1cc(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000189910735 855228982 /nfs/dbraw/zinc/22/89/82/855228982.db2.gz LVFZBJPCXMNRQD-NSHDSACASA-N -1 3 383.366 3.962 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cn(C(C)(C)C)nc3C)nc2)n1 ZINC000130514342 855309640 /nfs/dbraw/zinc/30/96/40/855309640.db2.gz RJVSJINUJVLSGM-CYBMUJFWSA-N -1 3 380.496 3.827 20 0 GHADHM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000055611168 855358708 /nfs/dbraw/zinc/35/87/08/855358708.db2.gz SBGMXDISYAIJFW-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM O=C(NCCCC1CCCC1)N[N-]C(=O)c1ccc(F)cc1Br ZINC000057380011 855361851 /nfs/dbraw/zinc/36/18/51/855361851.db2.gz WQLHYHOLVKZHOX-UHFFFAOYSA-N -1 3 386.265 3.503 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107546326 855472889 /nfs/dbraw/zinc/47/28/89/855472889.db2.gz RTQDXAUFVJGIHB-MSOLQXFVSA-N -1 3 380.469 3.954 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000520560250 855654375 /nfs/dbraw/zinc/65/43/75/855654375.db2.gz ALQFETVYLDEBPJ-UHFFFAOYSA-N -1 3 375.837 3.771 20 0 GHADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000573034748 855696991 /nfs/dbraw/zinc/69/69/91/855696991.db2.gz KADZGOCYPOWRJD-UHFFFAOYSA-N -1 3 399.292 3.714 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417629314 855755791 /nfs/dbraw/zinc/75/57/91/855755791.db2.gz WXEAQUSDMCRTRV-UNMCSNQZSA-N -1 3 375.472 3.951 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@@H](Cc3cc(F)c(F)c(F)c3)C(=O)[O-])sc2C1 ZINC000417640144 855786362 /nfs/dbraw/zinc/78/63/62/855786362.db2.gz WIZXZDLIOVZYRV-CMPLNLGQSA-N -1 3 398.450 3.718 20 0 GHADHM C[C@H](C1CCCCC1)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482135259 862722133 /nfs/dbraw/zinc/72/21/33/862722133.db2.gz YTWVIIMZEXAZOX-GFCCVEGCSA-N -1 3 379.302 3.951 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482141438 862727277 /nfs/dbraw/zinc/72/72/77/862727277.db2.gz MYWWVVXEXLCSPX-AWEZNQCLSA-N -1 3 389.253 3.789 20 0 GHADHM CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000426043046 855920009 /nfs/dbraw/zinc/92/00/09/855920009.db2.gz MOMCRAKPFQGELT-MRXNPFEDSA-N -1 3 390.281 3.673 20 0 GHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000028242874 855994127 /nfs/dbraw/zinc/99/41/27/855994127.db2.gz IYVNVAMLDMKFBI-UHFFFAOYSA-N -1 3 397.865 3.845 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)nc(C2CC2)n3C)cc1F ZINC000550432088 856006783 /nfs/dbraw/zinc/00/67/83/856006783.db2.gz XCRVLLMBMJLSKC-UHFFFAOYSA-N -1 3 391.443 3.516 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cnc(C3CCC3)s2)n[n-]1 ZINC000895105619 856040946 /nfs/dbraw/zinc/04/09/46/856040946.db2.gz VADQSIFUQYELDI-AWEZNQCLSA-N -1 3 377.514 3.582 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc(C3CCC3)s2)[n-]1 ZINC000895105619 856040956 /nfs/dbraw/zinc/04/09/56/856040956.db2.gz VADQSIFUQYELDI-AWEZNQCLSA-N -1 3 377.514 3.582 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cnc(C3CCC3)s2)n1 ZINC000895105619 856040966 /nfs/dbraw/zinc/04/09/66/856040966.db2.gz VADQSIFUQYELDI-AWEZNQCLSA-N -1 3 377.514 3.582 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)c(C)c1F ZINC000194781853 856066029 /nfs/dbraw/zinc/06/60/29/856066029.db2.gz FLZILMXDENITOO-UHFFFAOYSA-N -1 3 396.260 3.838 20 0 GHADHM CC(C)NC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485094404 856099535 /nfs/dbraw/zinc/09/95/35/856099535.db2.gz LKQSKZBDDJQQEL-UHFFFAOYSA-N -1 3 389.415 3.608 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccsc3[C@@H]2C)c1 ZINC000921510405 862757288 /nfs/dbraw/zinc/75/72/88/862757288.db2.gz VYFMKGKNOLMBQZ-NSHDSACASA-N -1 3 397.456 3.762 20 0 GHADHM CCOc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1OC ZINC000485131360 856129591 /nfs/dbraw/zinc/12/95/91/856129591.db2.gz IYGYBUDLYRIHSB-UHFFFAOYSA-N -1 3 378.388 3.878 20 0 GHADHM CCOc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC ZINC000485131360 856129597 /nfs/dbraw/zinc/12/95/97/856129597.db2.gz IYGYBUDLYRIHSB-UHFFFAOYSA-N -1 3 378.388 3.878 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1OC ZINC000031721513 856185273 /nfs/dbraw/zinc/18/52/73/856185273.db2.gz LVXUPOSXMHZEHF-UHFFFAOYSA-N -1 3 385.869 3.945 20 0 GHADHM O=c1nc(-c2cccc(OCCO)n2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000181152711 862774282 /nfs/dbraw/zinc/77/42/82/862774282.db2.gz SSRGWHGVGIIZRR-UHFFFAOYSA-N -1 3 399.859 3.738 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000109294844 856271818 /nfs/dbraw/zinc/27/18/18/856271818.db2.gz DFAZZGQDSYLWES-XMMPIXPASA-N -1 3 397.478 3.988 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000172000979 856319997 /nfs/dbraw/zinc/31/99/97/856319997.db2.gz USKGASVBVQRBLC-BDJLRTHQSA-N -1 3 377.282 3.941 20 0 GHADHM C[C@H]1CN(Cc2csc([N-]C(=O)c3cc(-c4ccccc4)no3)n2)C[C@H](C)O1 ZINC000041793931 856326836 /nfs/dbraw/zinc/32/68/36/856326836.db2.gz TXVDZOMZBOGKSX-KBPBESRZSA-N -1 3 398.488 3.660 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(Br)cc3)nc2)n1 ZINC000172239370 856378621 /nfs/dbraw/zinc/37/86/21/856378621.db2.gz CBNOPHXICBQNRG-UHFFFAOYSA-N -1 3 399.292 3.811 20 0 GHADHM C[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)cc1 ZINC000482196873 862796062 /nfs/dbraw/zinc/79/60/62/862796062.db2.gz BZRZLJDGBMQVFF-NSHDSACASA-N -1 3 391.244 3.583 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485398130 856444610 /nfs/dbraw/zinc/44/46/10/856444610.db2.gz GROSLDVPCNEUEU-UHFFFAOYSA-N -1 3 379.457 3.693 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000172565210 856479628 /nfs/dbraw/zinc/47/96/28/856479628.db2.gz YZULDVWJTFNZAQ-UHFFFAOYSA-N -1 3 392.858 3.732 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000485419103 856497444 /nfs/dbraw/zinc/49/74/44/856497444.db2.gz IWTFWECXMRVCTN-UHFFFAOYSA-N -1 3 384.382 3.564 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC[C@H](C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000592006225 856534799 /nfs/dbraw/zinc/53/47/99/856534799.db2.gz MZRABQKFJFFYKO-XJKSGUPXSA-N -1 3 384.480 3.729 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H](C3CCOCC3)C2)cc1Br ZINC000905755168 856557420 /nfs/dbraw/zinc/55/74/20/856557420.db2.gz GHNAQIWEZSHTHE-OAHLLOKOSA-N -1 3 382.298 3.786 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc2ccccc21 ZINC000482209357 862811226 /nfs/dbraw/zinc/81/12/26/862811226.db2.gz KPYQLLVZAWIZPR-UHFFFAOYSA-N -1 3 399.170 3.669 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)nc1 ZINC000733236920 862816364 /nfs/dbraw/zinc/81/63/64/862816364.db2.gz LDMVCUDSONVNCF-UHFFFAOYSA-N -1 3 378.432 3.866 20 0 GHADHM O=C([O-])C1(CCCCNCc2cc3c(cc2Br)OCO3)CCC1 ZINC000905811286 856612459 /nfs/dbraw/zinc/61/24/59/856612459.db2.gz VFLIHCPECPEBOS-UHFFFAOYSA-N -1 3 384.270 3.693 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000573921041 856618710 /nfs/dbraw/zinc/61/87/10/856618710.db2.gz ZHVUIXKULVEFFL-NSHDSACASA-N -1 3 388.880 3.684 20 0 GHADHM Cc1cccc([C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(=O)OC(C)(C)C)c1 ZINC000888401724 856643590 /nfs/dbraw/zinc/64/35/90/856643590.db2.gz VNFUUDSIKBPCKQ-HXUWFJFHSA-N -1 3 392.455 3.649 20 0 GHADHM CN1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000472432810 856711578 /nfs/dbraw/zinc/71/15/78/856711578.db2.gz MSTXBTDYKBAXKJ-CTNGQTDRSA-N -1 3 382.410 3.999 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000605182737 862829065 /nfs/dbraw/zinc/82/90/65/862829065.db2.gz YWWRXCTVSVACRY-GOSISDBHSA-N -1 3 382.847 3.885 20 0 GHADHM COc1ccc(Cl)cc1C1(c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)CC1 ZINC000906116899 856843988 /nfs/dbraw/zinc/84/39/88/856843988.db2.gz OLPZLZZQGZLNQY-UHFFFAOYSA-N -1 3 384.823 3.852 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cc(C)ccc1C ZINC000046213410 856849650 /nfs/dbraw/zinc/84/96/50/856849650.db2.gz FGBLCGNDYCNFOU-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM C[C@@H](CSCCNCc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000592461504 856881860 /nfs/dbraw/zinc/88/18/60/856881860.db2.gz JOGSZYOABISSRD-VIFPVBQESA-N -1 3 398.269 3.594 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000485665198 856900313 /nfs/dbraw/zinc/90/03/13/856900313.db2.gz LSIBVSMBEAVPRZ-NSHDSACASA-N -1 3 379.407 3.949 20 0 GHADHM O=S(=O)([N-][C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000508094376 856905342 /nfs/dbraw/zinc/90/53/42/856905342.db2.gz HRNXQPVBAPUWFB-HNNXBMFYSA-N -1 3 394.378 3.626 20 0 GHADHM CCCCc1nc(NC(=O)Cc2coc3cc(OC)ccc23)c(C(=O)OCC)[n-]1 ZINC000485677553 856918799 /nfs/dbraw/zinc/91/87/99/856918799.db2.gz ZPZNBEAPDRXENM-UHFFFAOYSA-N -1 3 399.447 3.865 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508115341 856943234 /nfs/dbraw/zinc/94/32/34/856943234.db2.gz HVQAKBAXAKVEKL-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(C(C)C)nn2CC)c(C(=O)OCC)[n-]1 ZINC000485702770 856952698 /nfs/dbraw/zinc/95/26/98/856952698.db2.gz SUSJVPODNMRTSI-UHFFFAOYSA-N -1 3 375.473 3.521 20 0 GHADHM O=c1[n-]nc(SCCCc2ccc(C(F)(F)F)cc2)n1C[C@@H]1CCCO1 ZINC000674045743 862856268 /nfs/dbraw/zinc/85/62/68/862856268.db2.gz MLHGWOWYSSTHFY-AWEZNQCLSA-N -1 3 387.427 3.906 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1OC ZINC000508145597 856991416 /nfs/dbraw/zinc/99/14/16/856991416.db2.gz ZMOAZEDBQZXISN-UHFFFAOYSA-N -1 3 383.844 3.604 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000508194986 857053338 /nfs/dbraw/zinc/05/33/38/857053338.db2.gz MPZHOFFCBIMSEC-INIZCTEOSA-N -1 3 395.443 3.631 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@H](C(C)C)C2)cc1OC ZINC000508234949 857104890 /nfs/dbraw/zinc/10/48/90/857104890.db2.gz IXTGQUISAJFNPP-GJZGRUSLSA-N -1 3 397.541 3.793 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000265791671 857154456 /nfs/dbraw/zinc/15/44/56/857154456.db2.gz LYBYAKUMNWVYEE-IBGZPJMESA-N -1 3 392.858 3.840 20 0 GHADHM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000508337254 857197279 /nfs/dbraw/zinc/19/72/79/857197279.db2.gz BTHFITQGVPWGKY-CQSZACIVSA-N -1 3 381.863 3.945 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000605257579 862890796 /nfs/dbraw/zinc/89/07/96/862890796.db2.gz PKZIDRDBNVZAHJ-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM CC(=O)c1sc(NC(=O)c2nnc3ccccc3c2[O-])nc1-c1ccccc1 ZINC000171861651 862894649 /nfs/dbraw/zinc/89/46/49/862894649.db2.gz WQPXGBMHJWVWIJ-UHFFFAOYSA-N -1 3 390.424 3.502 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000569233809 857301727 /nfs/dbraw/zinc/30/17/27/857301727.db2.gz FLSQEWSZYOCQFH-UHFFFAOYSA-N -1 3 386.452 3.762 20 0 GHADHM CC(C)(NC(=O)NCc1ccc([O-])c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000465978840 857405033 /nfs/dbraw/zinc/40/50/33/857405033.db2.gz JFSXEHUJLBKTEO-UHFFFAOYSA-N -1 3 377.363 3.741 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)c3ccc(F)c(Cl)c3)nc(=O)c2c1C ZINC000181509781 862907795 /nfs/dbraw/zinc/90/77/95/862907795.db2.gz RRTVVVMBWMHETM-UHFFFAOYSA-N -1 3 395.843 3.509 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C(F)F)ccc2F)c1C ZINC000593218113 857435764 /nfs/dbraw/zinc/43/57/64/857435764.db2.gz RBGFVXNLWLNBJI-UHFFFAOYSA-N -1 3 390.383 3.686 20 0 GHADHM CCc1nc2ccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)cc2nc1CC ZINC000675708525 857571410 /nfs/dbraw/zinc/57/14/10/857571410.db2.gz YIZPJBQDUPQMPK-UHFFFAOYSA-N -1 3 376.420 3.693 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(OCc4cccnc4)cc3)n[n-]2)o1 ZINC000675708440 857571735 /nfs/dbraw/zinc/57/17/35/857571735.db2.gz SEXXNPYHTFQRMR-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM CCC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000521074320 857582941 /nfs/dbraw/zinc/58/29/41/857582941.db2.gz QIBGPKAEOGGHAB-HNNXBMFYSA-N -1 3 378.469 3.935 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1 ZINC000063150358 857592562 /nfs/dbraw/zinc/59/25/62/857592562.db2.gz FODVSSDZEYZTAD-UHFFFAOYSA-N -1 3 377.466 3.547 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000063173445 857594069 /nfs/dbraw/zinc/59/40/69/857594069.db2.gz UIAHAKFUGYOZKI-UHFFFAOYSA-N -1 3 388.489 3.941 20 0 GHADHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)[nH]1 ZINC000486258957 857596573 /nfs/dbraw/zinc/59/65/73/857596573.db2.gz WUNQPXWBXOZLNS-VXGBXAGGSA-N -1 3 395.467 3.672 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)CCCC2 ZINC000922043260 857629796 /nfs/dbraw/zinc/62/97/96/857629796.db2.gz ZRNRNZKCEFBERX-SFHVURJKSA-N -1 3 392.455 3.743 20 0 GHADHM Cc1cccc(C)c1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482322616 862944821 /nfs/dbraw/zinc/94/48/21/862944821.db2.gz IRAWMAFWSWBABW-UHFFFAOYSA-N -1 3 393.281 3.650 20 0 GHADHM Cc1nc([N-]C(=O)c2nnc(C3CC3)o2)sc1Cc1ccc(F)c(F)c1F ZINC000907795626 857783164 /nfs/dbraw/zinc/78/31/64/857783164.db2.gz GMDAXDZBOQRDBM-UHFFFAOYSA-N -1 3 394.378 3.972 20 0 GHADHM O=C1[C@H](SCc2cc(=O)[n-]c(C3CC3)n2)CCN1c1ccccc1Cl ZINC000569458072 857787289 /nfs/dbraw/zinc/78/72/89/857787289.db2.gz GFJDROJRGHCSBZ-OAHLLOKOSA-N -1 3 375.881 3.752 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000676233776 857797594 /nfs/dbraw/zinc/79/75/94/857797594.db2.gz UEIZWIBWZKPUJB-YJBOKZPZSA-N -1 3 378.488 3.606 20 0 GHADHM COc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1N1CCCC1=O ZINC000065618125 857827618 /nfs/dbraw/zinc/82/76/18/857827618.db2.gz OBCPTYMUXNZVLZ-UHFFFAOYSA-N -1 3 380.444 3.659 20 0 GHADHM [O-]c1c(F)cc(F)cc1Nc1cnc2c(Cl)nc(Br)cn12 ZINC001212484118 857835848 /nfs/dbraw/zinc/83/58/48/857835848.db2.gz KXNIQQSLIIJZMD-UHFFFAOYSA-N -1 3 375.560 3.873 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1C ZINC000486577765 857878439 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O=C([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000574577886 858067360 /nfs/dbraw/zinc/06/73/60/858067360.db2.gz IOZZRBHZTNCPGN-OAHLLOKOSA-N -1 3 398.850 3.863 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000067838016 858074581 /nfs/dbraw/zinc/07/45/81/858074581.db2.gz ZFSVFAIBQZMWJR-GFCCVEGCSA-N -1 3 390.361 3.960 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2c(C)nc([C@@H](C)CC)nc2C)c([O-])c1 ZINC000594333142 858098091 /nfs/dbraw/zinc/09/80/91/858098091.db2.gz WBTGHWROJJSVQN-LBPRGKRZSA-N -1 3 385.464 3.670 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cc(F)ccc1F ZINC000442748738 858108398 /nfs/dbraw/zinc/10/83/98/858108398.db2.gz MZKFEPUZRQKVLL-CYBMUJFWSA-N -1 3 380.338 3.808 20 0 GHADHM CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000466071859 858127617 /nfs/dbraw/zinc/12/76/17/858127617.db2.gz WDYRYHKEFGIWSZ-GOSISDBHSA-N -1 3 396.447 3.822 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000066606576 858207234 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20 0 GHADHM CSc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)c1 ZINC000521844315 858361306 /nfs/dbraw/zinc/36/13/06/858361306.db2.gz XWPZOOCIFYAMSN-LLVKDONJSA-N -1 3 376.865 3.759 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c(=O)[n-]1 ZINC000521858547 858383332 /nfs/dbraw/zinc/38/33/32/858383332.db2.gz VGYDBFLIQHTBHV-UHFFFAOYSA-N -1 3 375.419 3.591 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccc(C(C)C)cc1 ZINC000443124744 858392436 /nfs/dbraw/zinc/39/24/36/858392436.db2.gz BRLUZCUPMMYYLM-UHFFFAOYSA-N -1 3 393.480 3.647 20 0 GHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000443235439 858492688 /nfs/dbraw/zinc/49/26/88/858492688.db2.gz JPGVOPRLFZADLX-KRWDZBQOSA-N -1 3 388.514 3.602 20 0 GHADHM CC(C)(CO)CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443249994 858506061 /nfs/dbraw/zinc/50/60/61/858506061.db2.gz MRZIJCYNJWMDDT-UHFFFAOYSA-N -1 3 388.942 3.541 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000443261626 858512139 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Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000544563574 858851460 /nfs/dbraw/zinc/85/14/60/858851460.db2.gz XIFZHYZBBTUSEX-CQSZACIVSA-N -1 3 379.913 3.617 20 0 GHADHM Cc1ccc(OCc2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)cc1 ZINC000183994471 858856358 /nfs/dbraw/zinc/85/63/58/858856358.db2.gz AUHFLVHEAFPQHX-UHFFFAOYSA-N -1 3 375.471 3.710 20 0 GHADHM CCCc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000443512129 858858512 /nfs/dbraw/zinc/85/85/12/858858512.db2.gz RQZPRMGICUIKDO-UHFFFAOYSA-N -1 3 384.295 3.586 20 0 GHADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000116377924 858955448 /nfs/dbraw/zinc/95/54/48/858955448.db2.gz YDCOEHLIWYDTKM-UHFFFAOYSA-N -1 3 382.404 3.823 20 0 GHADHM CC(C)c1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1-c1ccccc1Cl ZINC000184570151 858963020 /nfs/dbraw/zinc/96/30/20/858963020.db2.gz NGKPZCYFAYZACY-UHFFFAOYSA-N -1 3 385.859 3.682 20 0 GHADHM CCc1cc2c(CN(C)CC(=O)Nc3ccccc3CC)cc(=O)oc2cc1[O-] ZINC000007268177 858966821 /nfs/dbraw/zinc/96/68/21/858966821.db2.gz ASPBYEUXLTYZAZ-UHFFFAOYSA-N -1 3 394.471 3.694 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482928829 858988024 /nfs/dbraw/zinc/98/80/24/858988024.db2.gz OXUKIHKYRNSEST-ZETCQYMHSA-N -1 3 396.200 3.561 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)c(=O)c2c(OC)c1 ZINC000625856944 859038536 /nfs/dbraw/zinc/03/85/36/859038536.db2.gz UBWQUGILZXJLTQ-OAHLLOKOSA-N -1 3 394.471 3.523 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000483001136 859061326 /nfs/dbraw/zinc/06/13/26/859061326.db2.gz ZKNGBHDTOQLMJF-UHFFFAOYSA-N -1 3 376.815 3.761 20 0 GHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(C)ccc3Br)cc12 ZINC000185632165 859108028 /nfs/dbraw/zinc/10/80/28/859108028.db2.gz URCAUXPGZNWZLN-UHFFFAOYSA-N -1 3 396.266 3.657 20 0 GHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3cccc(C)c3Br)cc12 ZINC000120325616 881384015 /nfs/dbraw/zinc/38/40/15/881384015.db2.gz OUVGQSMWBPMJFI-UHFFFAOYSA-N -1 3 396.266 3.657 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(Br)c1C ZINC000187116731 859133105 /nfs/dbraw/zinc/13/31/05/859133105.db2.gz XTHDJVLUOYKBQL-JTQLQIEISA-N -1 3 393.262 3.789 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000483122037 859149915 /nfs/dbraw/zinc/14/99/15/859149915.db2.gz POTUAKRJURWSSG-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC(C)(C)CC(C)(C)C2)cc1OC ZINC000466706147 859217250 /nfs/dbraw/zinc/21/72/50/859217250.db2.gz BNBVVRLZKXNUDM-UHFFFAOYSA-N -1 3 397.541 3.747 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(-c2ccccc2)on1 ZINC000483209961 859224484 /nfs/dbraw/zinc/22/44/84/859224484.db2.gz CHPALZAJOQHBLD-UHFFFAOYSA-N -1 3 388.221 3.553 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)C1 ZINC000923472022 859342426 /nfs/dbraw/zinc/34/24/26/859342426.db2.gz SXDADJTVTATOAK-NFBKMPQASA-N -1 3 396.487 3.952 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000923472808 859356422 /nfs/dbraw/zinc/35/64/22/859356422.db2.gz ZHSPOHFPLCNYKQ-JOCHJYFZSA-N -1 3 386.536 3.582 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000509432718 859428696 /nfs/dbraw/zinc/42/86/96/859428696.db2.gz MZXRORSHDRRCFD-UHFFFAOYSA-N -1 3 387.288 3.936 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(CN(C)C)c1 ZINC000114054160 859460024 /nfs/dbraw/zinc/46/00/24/859460024.db2.gz NSFDHAMSJMMOQE-UHFFFAOYSA-N -1 3 388.411 3.756 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(CN(C)C)c1 ZINC000114054228 859460246 /nfs/dbraw/zinc/46/02/46/859460246.db2.gz VVVOBDQEHGVEJE-UHFFFAOYSA-N -1 3 389.340 3.681 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000155892389 859470752 /nfs/dbraw/zinc/47/07/52/859470752.db2.gz RVIBRSLSPAJDNN-GDLCADMTSA-N -1 3 395.830 3.595 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nn2c(c1Br)CCC2 ZINC001127779762 859508077 /nfs/dbraw/zinc/50/80/77/859508077.db2.gz ACLYKZWRLSJHOB-UHFFFAOYSA-N -1 3 387.237 3.808 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)cc1 ZINC000673489148 859556289 /nfs/dbraw/zinc/55/62/89/859556289.db2.gz GCNCMDDQRWJRMH-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc(F)c(F)c(F)c1 ZINC000611157037 859624820 /nfs/dbraw/zinc/62/48/20/859624820.db2.gz WBUQDZXBHBVULL-UHFFFAOYSA-N -1 3 393.102 3.666 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506906 859634789 /nfs/dbraw/zinc/63/47/89/859634789.db2.gz HWQPPWMRJRDHBJ-BRWVUGGUSA-N -1 3 383.492 3.526 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)n1 ZINC000895543342 859641546 /nfs/dbraw/zinc/64/15/46/859641546.db2.gz ZWAJWLZKUVJLQF-UHFFFAOYSA-N -1 3 386.496 3.540 20 0 GHADHM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@H](C)CO1 ZINC000895544036 859642459 /nfs/dbraw/zinc/64/24/59/859642459.db2.gz ZZGBVGDBDMKXDD-XCLFUZPHSA-N -1 3 398.409 3.717 20 0 GHADHM Cc1ccc(NC(=O)CC2CSC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000895598656 859696510 /nfs/dbraw/zinc/69/65/10/859696510.db2.gz SLZOBGQMTUARJZ-UHFFFAOYSA-N 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860067371 /nfs/dbraw/zinc/06/73/71/860067371.db2.gz GTYBRVFJORNYRL-HNNXBMFYSA-N -1 3 383.414 3.930 20 0 GHADHM COC1([C@@H](NCc2cc(C(F)(F)F)ccc2Br)C(=O)[O-])CCC1 ZINC000904049969 860069376 /nfs/dbraw/zinc/06/93/76/860069376.db2.gz JOFBKGCNJQBNQT-LBPRGKRZSA-N -1 3 396.203 3.580 20 0 GHADHM CCOCC[C@H](NCc1c(Cl)n(-c2ccccc2)nc1C(C)C)C(=O)[O-] ZINC000904067918 860091422 /nfs/dbraw/zinc/09/14/22/860091422.db2.gz PKFHEHSWUAAFRW-INIZCTEOSA-N -1 3 379.888 3.619 20 0 GHADHM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000904072670 860098637 /nfs/dbraw/zinc/09/86/37/860098637.db2.gz TVDPKVOATLDOLY-HNNXBMFYSA-N -1 3 379.254 3.548 20 0 GHADHM CCc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1C(C)(C)C ZINC000428869110 860105339 /nfs/dbraw/zinc/10/53/39/860105339.db2.gz AJXVJXUVEWARFK-UHFFFAOYSA-N -1 3 380.286 3.599 20 0 GHADHM O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474441147 860106985 /nfs/dbraw/zinc/10/69/85/860106985.db2.gz YIUUBRDHDWUFJX-UHFFFAOYSA-N -1 3 391.874 3.726 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCC3(Sc4ccccc4)CC3)o2)CC1 ZINC000904216332 860235992 /nfs/dbraw/zinc/23/59/92/860235992.db2.gz QSYIDXSIEZNJHB-UHFFFAOYSA-N -1 3 386.517 3.995 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CC[C@@H](C(F)(F)F)O3)nc2)n1 ZINC000896010518 860237144 /nfs/dbraw/zinc/23/71/44/860237144.db2.gz ITKLNFSMRPGDGC-KBPBESRZSA-N -1 3 382.386 3.719 20 0 GHADHM CCCCO[C@@H]1C[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC000904223654 860247118 /nfs/dbraw/zinc/24/71/18/860247118.db2.gz KLWYATZJOKCYCU-ZWKOTPCHSA-N -1 3 378.513 3.654 20 0 GHADHM Cc1c(NC(=O)NCc2ccc([O-])c(Br)c2)cnn1CC(C)C ZINC000499958443 860292625 /nfs/dbraw/zinc/29/26/25/860292625.db2.gz BJBPUSIYYCRBFL-UHFFFAOYSA-N -1 3 381.274 3.637 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC000023648878 860299118 /nfs/dbraw/zinc/29/91/18/860299118.db2.gz QGSWXNPWBNQBBH-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2C)cc1Cl ZINC000484782732 860346699 /nfs/dbraw/zinc/34/66/99/860346699.db2.gz KDTCDPZXITWAGU-QMTHXVAHSA-N -1 3 390.908 3.931 20 0 GHADHM Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000484847752 860403743 /nfs/dbraw/zinc/40/37/43/860403743.db2.gz JWFBARVKTCEHKY-UHFFFAOYSA-N -1 3 395.846 3.671 20 0 GHADHM COC(=O)c1sc2[n-]c(CSC[C@@H]3CC[C@@H]4C[C@@H]4C3)nc(=O)c2c1C ZINC000598715343 860524585 /nfs/dbraw/zinc/52/45/85/860524585.db2.gz BGKMRHIEAWVRIE-UTUOFQBUSA-N -1 3 378.519 3.749 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000158822945 860750177 /nfs/dbraw/zinc/75/01/77/860750177.db2.gz XYSUOEPNQLWVHK-HXUWFJFHSA-N -1 3 392.499 3.577 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3OCCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000603520852 860788906 /nfs/dbraw/zinc/78/89/06/860788906.db2.gz OKQZGQUKSNGPQT-FQEVSTJZSA-N -1 3 390.443 3.593 20 0 GHADHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cc(Br)ccc1[O-] ZINC000176432531 860873263 /nfs/dbraw/zinc/87/32/63/860873263.db2.gz WUWXWGGQSDNTGH-GFCCVEGCSA-N -1 3 389.249 3.684 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000474825491 860887612 /nfs/dbraw/zinc/88/76/12/860887612.db2.gz LSTFUNCEZUKIDX-UHFFFAOYSA-N -1 3 387.490 3.600 20 0 GHADHM Cn1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c(C(F)(F)F)n1 ZINC000730189654 860933714 /nfs/dbraw/zinc/93/37/14/860933714.db2.gz JZQONPDNJZEFCZ-UHFFFAOYSA-N -1 3 395.410 3.869 20 0 GHADHM CC(C)Oc1ccccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000061217265 861041615 /nfs/dbraw/zinc/04/16/15/861041615.db2.gz UHAIVZCOFPEEGY-SFHVURJKSA-N -1 3 383.444 3.527 20 0 GHADHM CCN(C(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000730364299 861073950 /nfs/dbraw/zinc/07/39/50/861073950.db2.gz JCPNIPVCXZIQLP-LBPRGKRZSA-N -1 3 392.249 3.753 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OCc2ccccc2)c1 ZINC000733798822 863191946 /nfs/dbraw/zinc/19/19/46/863191946.db2.gz FHCOIXURRRAUDK-FQEVSTJZSA-N -1 3 389.517 3.573 20 0 GHADHM O=C(CCCOc1ccc2c(c1)OCO2)Nc1cc(Br)ccc1[O-] ZINC000532267346 881636876 /nfs/dbraw/zinc/63/68/76/881636876.db2.gz HUKKGSMLQYAGOX-UHFFFAOYSA-N -1 3 394.221 3.681 20 0 GHADHM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909554118 863213583 /nfs/dbraw/zinc/21/35/83/863213583.db2.gz UUBWDONUXMNFLU-UWJYYQICSA-N -1 3 380.488 3.670 20 0 GHADHM O=C(CCc1ccc2ccccc2c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281739500 863355406 /nfs/dbraw/zinc/35/54/06/863355406.db2.gz OPOSCSMUNKUUGE-UHFFFAOYSA-N -1 3 392.421 3.690 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482593884 863358569 /nfs/dbraw/zinc/35/85/69/863358569.db2.gz SILKBGARUSQBHK-XJKSGUPXSA-N -1 3 399.329 3.795 20 0 GHADHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC001212191617 863425961 /nfs/dbraw/zinc/42/59/61/863425961.db2.gz VXXXWKIIGKPAOW-OCCSQVGLSA-N -1 3 392.329 3.787 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1NC(=O)c1cccs1 ZINC000158659010 863903610 /nfs/dbraw/zinc/90/36/10/863903610.db2.gz IOELTRPBDPIHRL-UHFFFAOYSA-N -1 3 395.366 3.698 20 0 GHADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1NC(=O)c1cccs1 ZINC000158659010 863903618 /nfs/dbraw/zinc/90/36/18/863903618.db2.gz IOELTRPBDPIHRL-UHFFFAOYSA-N -1 3 395.366 3.698 20 0 GHADHM CC(C)[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000606871182 863908836 /nfs/dbraw/zinc/90/88/36/863908836.db2.gz NPHFNULGSISGGF-AWEZNQCLSA-N -1 3 378.469 3.648 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000606904123 863928371 /nfs/dbraw/zinc/92/83/71/863928371.db2.gz UMRWJVUZXGNIPL-NWDGAFQWSA-N -1 3 398.878 3.900 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1 ZINC000621231894 863929631 /nfs/dbraw/zinc/92/96/31/863929631.db2.gz RCPDJLNNVOQNLC-UHFFFAOYSA-N -1 3 381.407 3.557 20 0 GHADHM CCc1ccccc1NC(=O)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621248217 863962480 /nfs/dbraw/zinc/96/24/80/863962480.db2.gz ZJKQDUSCCUJXNH-UHFFFAOYSA-N -1 3 380.366 3.684 20 0 GHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000042415378 863966753 /nfs/dbraw/zinc/96/67/53/863966753.db2.gz OXUUQSLVYFNNAH-DTWKUNHWSA-N -1 3 399.148 3.925 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC1(Cl)Cl)c1cc(Cl)ccc1OC(F)F ZINC000856752151 881720561 /nfs/dbraw/zinc/72/05/61/881720561.db2.gz IGBXAPYPFZJEHL-SSDOTTSWSA-N -1 3 394.654 3.804 20 0 GHADHM CSC(C)(C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184100016 864083912 /nfs/dbraw/zinc/08/39/12/864083912.db2.gz LEFCBYGBFNOHCE-GOSISDBHSA-N -1 3 386.517 3.511 20 0 GHADHM CSCCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000567245332 864107084 /nfs/dbraw/zinc/10/70/84/864107084.db2.gz YUTLKZJTFSERJZ-UHFFFAOYSA-N -1 3 394.298 3.970 20 0 GHADHM CCCCOc1ccc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1OC ZINC000621530485 864228003 /nfs/dbraw/zinc/22/80/03/864228003.db2.gz OHYCXWNEOXSBGE-UHFFFAOYSA-N -1 3 395.459 3.947 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480212276 864273560 /nfs/dbraw/zinc/27/35/60/864273560.db2.gz GBQZGTHBFFZGOD-UHFFFAOYSA-N -1 3 390.358 3.690 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCC2CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000480222798 864291621 /nfs/dbraw/zinc/29/16/21/864291621.db2.gz JWZKCWQIYJTHSL-UHFFFAOYSA-N -1 3 387.427 3.995 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC3CCOCC3)c2)cc1 ZINC000607331664 864307232 /nfs/dbraw/zinc/30/72/32/864307232.db2.gz SEKLJDSOXONPBB-UHFFFAOYSA-N -1 3 391.489 3.610 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000192754713 864483854 /nfs/dbraw/zinc/48/38/54/864483854.db2.gz AXIMWVLRUQAOHX-UHFFFAOYSA-N -1 3 388.467 3.645 20 0 GHADHM COc1ccc(F)c2[nH]c(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc21 ZINC000475194472 864530537 /nfs/dbraw/zinc/53/05/37/864530537.db2.gz VXNCBGAFIZDYPU-UHFFFAOYSA-N -1 3 392.390 3.627 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C4CCOCC4)CC3)cc2)cc(=O)[n-]1 ZINC000554562526 864555785 /nfs/dbraw/zinc/55/57/85/864555785.db2.gz BTEKQEWOOMPBRA-UHFFFAOYSA-N -1 3 396.491 3.828 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)cc1 ZINC000607616788 864562491 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C[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1Cc1ccccc1 ZINC000173458733 864738464 /nfs/dbraw/zinc/73/84/64/864738464.db2.gz BFASAUQAMCFFHQ-OAHLLOKOSA-N -1 3 381.501 3.853 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000607929907 864869073 /nfs/dbraw/zinc/86/90/73/864869073.db2.gz PVIQBKLDPNZUDV-ZBEGNZNMSA-N -1 3 375.266 3.695 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c1Cl ZINC000671185288 864903476 /nfs/dbraw/zinc/90/34/76/864903476.db2.gz OQUGMKGNKPXZNX-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622321687 864931944 /nfs/dbraw/zinc/93/19/44/864931944.db2.gz LFPPIBNBHBESIW-UHFFFAOYSA-N -1 3 385.414 3.694 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)cs1 ZINC000173663949 864981762 /nfs/dbraw/zinc/98/17/62/864981762.db2.gz KNBKVFRZVZQRKN-CYBMUJFWSA-N -1 3 388.489 3.993 20 0 GHADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c([O-])c1 ZINC000622430989 864995779 /nfs/dbraw/zinc/99/57/79/864995779.db2.gz PZZWVOTVWNRIJO-LBPRGKRZSA-N -1 3 399.800 3.777 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2OC2CCCC2)c(=O)[n-]1 ZINC000189353174 881828056 /nfs/dbraw/zinc/82/80/56/881828056.db2.gz KHSAVMKNJLMCGB-UHFFFAOYSA-N -1 3 389.883 3.933 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000736063762 865118563 /nfs/dbraw/zinc/11/85/63/865118563.db2.gz UJEHJIASPXKJPN-UHFFFAOYSA-N -1 3 392.496 3.588 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736244505 865159445 /nfs/dbraw/zinc/15/94/45/865159445.db2.gz JGMWIFFTKRJZJY-DOMZBBRYSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736244505 865159452 /nfs/dbraw/zinc/15/94/52/865159452.db2.gz JGMWIFFTKRJZJY-DOMZBBRYSA-N -1 3 382.493 3.679 20 0 GHADHM O=C(NC1(CCOCc2ccccc2)CC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899048209 865181390 /nfs/dbraw/zinc/18/13/90/865181390.db2.gz SHSQMTZTQYLLNR-UHFFFAOYSA-N -1 3 398.409 3.676 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCOc2ccc3c(c2)CCCC3)n1 ZINC000622739636 865189824 /nfs/dbraw/zinc/18/98/24/865189824.db2.gz SKJYTUORQLLKMM-UHFFFAOYSA-N -1 3 383.492 3.580 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3ccc(C(=O)C(C)C)cc3)nc21 ZINC000554962768 865221307 /nfs/dbraw/zinc/22/13/07/865221307.db2.gz YEBIKUPANUPRQM-CYBMUJFWSA-N -1 3 393.443 3.930 20 0 GHADHM CCN(C(=O)c1csc(-c2ccoc2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509175 865225534 /nfs/dbraw/zinc/22/55/34/865225534.db2.gz UDAGOURCZGAGPG-GFCCVEGCSA-N -1 3 394.460 3.807 20 0 GHADHM CCN(C(=O)c1csc(-c2ccoc2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509175 865225548 /nfs/dbraw/zinc/22/55/48/865225548.db2.gz UDAGOURCZGAGPG-GFCCVEGCSA-N -1 3 394.460 3.807 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000736543245 865236254 /nfs/dbraw/zinc/23/62/54/865236254.db2.gz CCTVCBDOWGOJHN-CYBMUJFWSA-N -1 3 380.897 3.674 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1ccc(F)cc1C(F)(F)F ZINC000171423887 865246661 /nfs/dbraw/zinc/24/66/61/865246661.db2.gz SYAOPCIXJOWVBT-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2c[nH]cc2-c2ccc(F)cc2)[nH][n-]1 ZINC000608358236 865254557 /nfs/dbraw/zinc/25/45/57/865254557.db2.gz YRIJWGFSFULXPE-UHFFFAOYSA-N -1 3 376.391 3.894 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccn2)C(C)C)cc1Cl ZINC000736634286 865260843 /nfs/dbraw/zinc/26/08/43/865260843.db2.gz GVWGJTHBCNGTDA-QGZVFWFLSA-N -1 3 399.875 3.508 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCO4)nc2)n1 ZINC000301304145 865273449 /nfs/dbraw/zinc/27/34/49/865273449.db2.gz XDOFVZCNNZDQHM-QGZVFWFLSA-N -1 3 390.443 3.877 20 0 GHADHM C[C@H](O)CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000171668166 865324637 /nfs/dbraw/zinc/32/46/37/865324637.db2.gz WZOAFBYCISFULB-ZDUSSCGKSA-N -1 3 381.457 3.632 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)c1 ZINC000629297813 865336744 /nfs/dbraw/zinc/33/67/44/865336744.db2.gz ZMRVUGKUUHLJAR-MRXNPFEDSA-N -1 3 388.917 3.635 20 0 GHADHM Cc1oc(C(N)=O)cc1-c1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000480823770 865355945 /nfs/dbraw/zinc/35/59/45/865355945.db2.gz AUQMSBIHGCFJTI-UHFFFAOYSA-N -1 3 399.325 3.619 20 0 GHADHM COc1cc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCCC2)ccc1C ZINC000737042683 865357995 /nfs/dbraw/zinc/35/79/95/865357995.db2.gz RHQZIEGQIRUOMY-UHFFFAOYSA-N -1 3 391.475 3.943 20 0 GHADHM COc1cc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCCC2)ccc1C ZINC000737042683 865358011 /nfs/dbraw/zinc/35/80/11/865358011.db2.gz RHQZIEGQIRUOMY-UHFFFAOYSA-N -1 3 391.475 3.943 20 0 GHADHM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cncc([O-])c1 ZINC000171865333 865397237 /nfs/dbraw/zinc/39/72/37/865397237.db2.gz WHPNVRXQPFYPFV-UHFFFAOYSA-N -1 3 382.439 3.801 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCc1ccc(Cl)cc1 ZINC000738294765 865522758 /nfs/dbraw/zinc/52/27/58/865522758.db2.gz RTAUOLVLDCJSIM-HNNXBMFYSA-N -1 3 396.874 3.788 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(-n4ccnn4)cc3)nc2)n1 ZINC000301812283 865547493 /nfs/dbraw/zinc/54/74/93/865547493.db2.gz BSVOORCSQMAVRR-AWEZNQCLSA-N -1 3 387.447 3.560 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000737343768 865584556 /nfs/dbraw/zinc/58/45/56/865584556.db2.gz AZISIQQADMJGKF-RKVPGOIHSA-N -1 3 383.510 3.583 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C4CC4)C3)c2)cc1 ZINC000480973303 865617965 /nfs/dbraw/zinc/61/79/65/865617965.db2.gz RVPZBLSBQGUWIK-GOSISDBHSA-N -1 3 398.528 3.976 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](COC)c3ccc(F)c(F)c3)nc2)n1 ZINC000302003565 865661988 /nfs/dbraw/zinc/66/19/88/865661988.db2.gz YIXNWGKHKQXHHF-QGZVFWFLSA-N -1 3 386.402 3.884 20 0 GHADHM O=c1nc(CSCc2nnc(C3CC3)[nH]2)[n-]c2scc(-c3ccco3)c21 ZINC000193577630 881894680 /nfs/dbraw/zinc/89/46/80/881894680.db2.gz DPKLTMNBWLRIIR-UHFFFAOYSA-N -1 3 385.474 3.674 20 0 GHADHM COC(=O)c1ccc2c(=O)[nH]c(C=Cc3cc(Cl)c([O-])c(OC)c3)nc2c1 ZINC000608801163 865703483 /nfs/dbraw/zinc/70/34/83/865703483.db2.gz LPOVXHNHWMQLSX-ZZXKWVIFSA-N -1 3 386.791 3.660 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000739977595 865818049 /nfs/dbraw/zinc/81/80/49/865818049.db2.gz RTUDQMWDEYGZGP-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000533994876 865972592 /nfs/dbraw/zinc/97/25/92/865972592.db2.gz AAGPIEWOXPRGTE-OAHLLOKOSA-N -1 3 393.846 3.791 20 0 GHADHM C[C@H]1CC[C@@H](CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000475481758 866011192 /nfs/dbraw/zinc/01/11/92/866011192.db2.gz YJXSGYCQIATHBG-UONOGXRCSA-N -1 3 393.915 3.842 20 0 GHADHM CSCCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000609899143 866112852 /nfs/dbraw/zinc/11/28/52/866112852.db2.gz CERJKRQZTFAPFA-UHFFFAOYSA-N -1 3 376.956 3.885 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c2cccnc12 ZINC000614761279 866175223 /nfs/dbraw/zinc/17/52/23/866175223.db2.gz LXEVEPJXWVNTHQ-UHFFFAOYSA-N -1 3 397.500 3.953 20 0 GHADHM CCC(CC)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303449179 866197563 /nfs/dbraw/zinc/19/75/63/866197563.db2.gz HXHSGKXZGRIFRO-UHFFFAOYSA-N -1 3 396.962 3.763 20 0 GHADHM O=C([N-]c1nnc(C(F)F)s1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000193928467 881950905 /nfs/dbraw/zinc/95/09/05/881950905.db2.gz VCIZQEXHMCZXPM-UHFFFAOYSA-N -1 3 389.309 3.933 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000153187924 866240502 /nfs/dbraw/zinc/24/05/02/866240502.db2.gz DMTZJLMCOBKRKM-QGZVFWFLSA-N -1 3 381.432 3.875 20 0 GHADHM CC(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)(C1CC1)C1CC1 ZINC000620025839 866281522 /nfs/dbraw/zinc/28/15/22/866281522.db2.gz DABNKOJTHALVTP-NRFANRHFSA-N -1 3 392.499 3.948 20 0 GHADHM CCCn1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1=O ZINC000920244216 881970409 /nfs/dbraw/zinc/97/04/09/881970409.db2.gz HMPIHEZOLIFUCR-UHFFFAOYSA-N -1 3 389.304 3.983 20 0 GHADHM COc1ccc(-c2nc(C)c(C(=O)N=c3cc4ccccn4[n-]3)s2)c(F)c1 ZINC000552990015 866568633 /nfs/dbraw/zinc/56/86/33/866568633.db2.gz KUBWLCUFKGKJNH-UHFFFAOYSA-N -1 3 382.420 3.588 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2)n1 ZINC000620261521 866623710 /nfs/dbraw/zinc/62/37/10/866623710.db2.gz VMWWNBIJKZVPKU-UHFFFAOYSA-N -1 3 398.426 3.531 20 0 GHADHM CC(C)CC1(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000620283301 866636791 /nfs/dbraw/zinc/63/67/91/866636791.db2.gz DPLARSCWDIMSLV-HXUWFJFHSA-N -1 3 380.488 3.948 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C)CCC(C)CC2)cc1OC ZINC000478907464 866857849 /nfs/dbraw/zinc/85/78/49/866857849.db2.gz DASLCNDPOLLBRX-UHFFFAOYSA-N -1 3 397.541 3.795 20 0 GHADHM COc1cc(C(=O)N2Cc3ccc(C)c(Br)c3C2)cc(OC)c1[O-] ZINC000620653431 866919439 /nfs/dbraw/zinc/91/94/39/866919439.db2.gz MXKBTOVCSIPZQX-UHFFFAOYSA-N -1 3 392.249 3.636 20 0 GHADHM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153563872 866954733 /nfs/dbraw/zinc/95/47/33/866954733.db2.gz JPERZXIGEPPIMM-UHFFFAOYSA-N -1 3 384.823 3.523 20 0 GHADHM CCc1nc(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cs1 ZINC000523296049 867009332 /nfs/dbraw/zinc/00/93/32/867009332.db2.gz UOYFDFIGVMRYAL-UHFFFAOYSA-N -1 3 379.334 3.842 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(NC(C)=O)ccc2C)[nH][n-]1 ZINC000444689366 867069718 /nfs/dbraw/zinc/06/97/18/867069718.db2.gz FNNZQMVQGOJPMO-UHFFFAOYSA-N -1 3 398.850 3.680 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccc(C)n3C)n2)c(F)cc1F ZINC000121391112 882052556 /nfs/dbraw/zinc/05/25/56/882052556.db2.gz VCQVRYCOHIZMBE-UHFFFAOYSA-N -1 3 391.399 3.774 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](CC)C3CCC(C)CC3)CC2)n[n-]1 ZINC000444765918 867197773 /nfs/dbraw/zinc/19/77/73/867197773.db2.gz MAOIIIOBRQYKQR-DQPZFDDXSA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](CC)C3CCC(C)CC3)CC2)[n-]1 ZINC000444765918 867197786 /nfs/dbraw/zinc/19/77/86/867197786.db2.gz MAOIIIOBRQYKQR-DQPZFDDXSA-N -1 3 390.528 3.540 20 0 GHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000154031021 867213613 /nfs/dbraw/zinc/21/36/13/867213613.db2.gz DZPUHSDUUAFFEG-UHFFFAOYSA-N -1 3 389.340 3.681 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000154040305 867219273 /nfs/dbraw/zinc/21/92/73/867219273.db2.gz CREVKHWNHMZNKW-UHFFFAOYSA-N -1 3 396.868 4.000 20 0 GHADHM CC1(C)CC(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000620739284 867225398 /nfs/dbraw/zinc/22/53/98/867225398.db2.gz PQFWAEKNUGKVDE-UHFFFAOYSA-N -1 3 383.673 3.862 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000154067024 867233227 /nfs/dbraw/zinc/23/32/27/867233227.db2.gz ZGIMXWKITBKUEH-UHFFFAOYSA-N -1 3 382.404 3.903 20 0 GHADHM CSC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000189989115 882062603 /nfs/dbraw/zinc/06/26/03/882062603.db2.gz LBTIYZCZKSEPAA-UHFFFAOYSA-N -1 3 376.503 3.630 20 0 GHADHM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000509717169 867337452 /nfs/dbraw/zinc/33/74/52/867337452.db2.gz FZMABYMGOXLFBO-UHFFFAOYSA-N -1 3 397.846 3.580 20 0 GHADHM CC(C)[C@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000523516909 867441687 /nfs/dbraw/zinc/44/16/87/867441687.db2.gz CRTAOKSHKZXIHY-CQSZACIVSA-N -1 3 378.469 3.648 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000553479511 867487690 /nfs/dbraw/zinc/48/76/90/867487690.db2.gz WQSMGDIKJHEGAA-UHFFFAOYSA-N -1 3 399.925 3.503 20 0 GHADHM CC(C)(C)c1nnc2n1CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C2 ZINC000620815716 867566736 /nfs/dbraw/zinc/56/67/36/867566736.db2.gz CUQQHZLBBWRVKN-UHFFFAOYSA-N -1 3 392.459 3.730 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)sc1Br ZINC000479373085 867646392 /nfs/dbraw/zinc/64/63/92/867646392.db2.gz GVIJBSXEUKISKP-MNOVXSKESA-N -1 3 396.372 3.691 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000534877089 867653042 /nfs/dbraw/zinc/65/30/42/867653042.db2.gz KLBXGKHRQSXBRQ-UHFFFAOYSA-N -1 3 380.839 3.894 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000534877089 867653050 /nfs/dbraw/zinc/65/30/50/867653050.db2.gz KLBXGKHRQSXBRQ-UHFFFAOYSA-N -1 3 380.839 3.894 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)cc1 ZINC000448555847 867682347 /nfs/dbraw/zinc/68/23/47/867682347.db2.gz VQFYIFHDUOEOOR-HZPDHXFCSA-N -1 3 398.406 3.933 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)n[n-]2)o1 ZINC000479448956 867778919 /nfs/dbraw/zinc/77/89/19/867778919.db2.gz SZARFKARNJYXRZ-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c(Cl)c1Cl ZINC000743046666 867781083 /nfs/dbraw/zinc/78/10/83/867781083.db2.gz JMEDYVGZZDEABT-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)n[n-]2)o1 ZINC000479463490 867806445 /nfs/dbraw/zinc/80/64/45/867806445.db2.gz GEENZWWRFKUECV-QWHCGFSZSA-N -1 3 387.237 3.878 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(Br)c3)n[n-]2)o1 ZINC000479444975 867813934 /nfs/dbraw/zinc/81/39/34/867813934.db2.gz LDCCCIUMVPFRGO-JTQLQIEISA-N -1 3 391.225 3.542 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000457205712 867849384 /nfs/dbraw/zinc/84/93/84/867849384.db2.gz CCKJOLYZZIQBEC-LBPRGKRZSA-N -1 3 381.473 3.509 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(Cc3cccc(Cl)c3)s2)c2ccccc21 ZINC000743248115 868014162 /nfs/dbraw/zinc/01/41/62/868014162.db2.gz YIRZEVRRCMUUOQ-XNTDXEJSSA-N -1 3 396.859 3.505 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000535119336 868204485 /nfs/dbraw/zinc/20/44/85/868204485.db2.gz BMLUOOJSOMCWTO-JTQLQIEISA-N -1 3 377.231 3.606 20 0 GHADHM Cc1ncsc1-c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000667531914 868261916 /nfs/dbraw/zinc/26/19/16/868261916.db2.gz VMRZRQGRJAPHMQ-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM CN1c2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)c3cccc(c23)C1=O ZINC000156329291 868326004 /nfs/dbraw/zinc/32/60/04/868326004.db2.gz YQNYUGFFPMLPPY-UHFFFAOYSA-N -1 3 392.358 3.648 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000121690597 882179477 /nfs/dbraw/zinc/17/94/77/882179477.db2.gz VLKSVZHNKFMWEA-LJQANCHMSA-N -1 3 376.412 3.873 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000156417179 868359925 /nfs/dbraw/zinc/35/99/25/868359925.db2.gz FSTKPNDTYFPFGX-UHFFFAOYSA-N -1 3 375.472 3.645 20 0 GHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN(C4CCC4)C[C@H](C)C3)n2)c1 ZINC000553865686 868372953 /nfs/dbraw/zinc/37/29/53/868372953.db2.gz ZKTZPOFTMQZYMX-KRWDZBQOSA-N -1 3 396.535 3.648 20 0 GHADHM Cc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)nc2ccccc12 ZINC000445406381 868388817 /nfs/dbraw/zinc/38/88/17/868388817.db2.gz WCOGKMLJIWSGIR-UHFFFAOYSA-N -1 3 380.429 3.632 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737509703 868423827 /nfs/dbraw/zinc/42/38/27/868423827.db2.gz IKQYUIIPGRKKJT-HNNXBMFYSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737509703 868423840 /nfs/dbraw/zinc/42/38/40/868423840.db2.gz IKQYUIIPGRKKJT-HNNXBMFYSA-N -1 3 391.401 3.577 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1cnc(C(F)(F)F)nc1 ZINC000156662779 868430499 /nfs/dbraw/zinc/43/04/99/868430499.db2.gz ZOXZRBYCOKVDJM-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)C[C@@H](C)O1 ZINC000445456511 868490942 /nfs/dbraw/zinc/49/09/42/868490942.db2.gz ONILVYAXMQVRPT-ZIAGYGMSSA-N -1 3 383.423 3.858 20 0 GHADHM CCN1CCN(c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2F)CC1 ZINC000445482552 868508314 /nfs/dbraw/zinc/50/83/14/868508314.db2.gz SJXMDKBWLDRVNT-UHFFFAOYSA-N -1 3 386.402 3.529 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c(F)cc2N1 ZINC000156957807 868513471 /nfs/dbraw/zinc/51/34/71/868513471.db2.gz YREGCCWRXJDJLI-UHFFFAOYSA-N -1 3 388.342 3.530 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H]3OCCc4ccccc43)c2)n1 ZINC000744216465 868672425 /nfs/dbraw/zinc/67/24/25/868672425.db2.gz HRADJBXOHIDWIE-LJQANCHMSA-N -1 3 376.412 3.767 20 0 GHADHM CCOc1ccc(OCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000744217211 868674126 /nfs/dbraw/zinc/67/41/26/868674126.db2.gz IWXOBIKWNIDXCZ-UHFFFAOYSA-N -1 3 380.400 3.541 20 0 GHADHM Cc1nc(C)c(CC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)c(=O)[n-]1 ZINC000857348209 882216358 /nfs/dbraw/zinc/21/63/58/882216358.db2.gz MGCZCFRYWQWBCK-UHFFFAOYSA-N -1 3 379.382 3.556 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1C1CCCCC1 ZINC000621120364 868754511 /nfs/dbraw/zinc/75/45/11/868754511.db2.gz JRDSNQPDSACKST-UHFFFAOYSA-N -1 3 378.480 3.720 20 0 GHADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)n1C1CCCCC1 ZINC000621120364 868754518 /nfs/dbraw/zinc/75/45/18/868754518.db2.gz JRDSNQPDSACKST-UHFFFAOYSA-N -1 3 378.480 3.720 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000648433322 882223507 /nfs/dbraw/zinc/22/35/07/882223507.db2.gz XSEVXVYCFNQRPQ-WCBMZHEXSA-N -1 3 379.716 3.541 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1c2c(nc3ccccc31)CCC2 ZINC000648433872 882229538 /nfs/dbraw/zinc/22/95/38/882229538.db2.gz RUKPOIMBGFNUHG-UHFFFAOYSA-N -1 3 394.784 3.810 20 0 GHADHM COCc1cc(NC(=O)c2cccc(CN3CCCCC3)c2)cc(C(=O)[O-])c1 ZINC000909627185 868824894 /nfs/dbraw/zinc/82/48/94/868824894.db2.gz PSNWHXZXTGOXKG-UHFFFAOYSA-N -1 3 382.460 3.769 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(C)o1 ZINC000480023474 868892334 /nfs/dbraw/zinc/89/23/34/868892334.db2.gz SBANLJZHSZVPOO-CYBMUJFWSA-N -1 3 395.374 3.802 20 0 GHADHM NC(=O)[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(Br)cc1F ZINC000744541145 868922040 /nfs/dbraw/zinc/92/20/40/868922040.db2.gz DSGMLXSWLNNFDJ-GFCCVEGCSA-N -1 3 397.225 3.514 20 0 GHADHM CCCCn1ccnc1-c1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000445938697 869181088 /nfs/dbraw/zinc/18/10/88/869181088.db2.gz QHYFEAPISWYCHG-CQSZACIVSA-N -1 3 380.370 3.727 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000445947471 869192572 /nfs/dbraw/zinc/19/25/72/869192572.db2.gz VARZJIXCPVXWQA-ZDUSSCGKSA-N -1 3 399.756 3.691 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1 ZINC000462318606 869231415 /nfs/dbraw/zinc/23/14/15/869231415.db2.gz UBFHAYYAMMDHAB-QGZVFWFLSA-N -1 3 381.494 3.604 20 0 GHADHM CCc1nc(C(=O)Nc2ccc(Br)cc2[O-])nn1-c1ccccc1 ZINC000524555033 869262718 /nfs/dbraw/zinc/26/27/18/869262718.db2.gz UGNRGXFHKKNQTP-UHFFFAOYSA-N -1 3 387.237 3.550 20 0 GHADHM O=C([N-]Cc1ccc2c(c1)C(=O)NCC2)C(F)(F)c1cccc(Cl)c1Cl ZINC000857484446 882293130 /nfs/dbraw/zinc/29/31/30/882293130.db2.gz HEFYKFVULLFXQM-UHFFFAOYSA-N -1 3 399.224 3.688 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(F)(F)C3)c2)cc1 ZINC000539579021 869392861 /nfs/dbraw/zinc/39/28/61/869392861.db2.gz WZODMNWCPZNGCZ-UHFFFAOYSA-N -1 3 394.443 3.585 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1cc(F)c(F)c(F)c1 ZINC000462424035 869418149 /nfs/dbraw/zinc/41/81/49/869418149.db2.gz WXXMVDKJDHJXNV-ZDUSSCGKSA-N -1 3 377.384 3.758 20 0 GHADHM O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857496605 882298988 /nfs/dbraw/zinc/29/89/88/882298988.db2.gz CELUDMCRXVQPMF-AWEZNQCLSA-N -1 3 377.721 3.667 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)s1 ZINC000462447383 869450253 /nfs/dbraw/zinc/45/02/53/869450253.db2.gz NVIDXJHKBVHQHJ-UHFFFAOYSA-N -1 3 378.288 3.745 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000446173158 869468145 /nfs/dbraw/zinc/46/81/45/869468145.db2.gz QNOQTZGBJXUSIP-CQSZACIVSA-N -1 3 389.333 3.796 20 0 GHADHM COc1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)c(OC)n1 ZINC000857510708 882313708 /nfs/dbraw/zinc/31/37/08/882313708.db2.gz URMZQKFZYJYPHU-UHFFFAOYSA-N -1 3 391.201 3.814 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000446282067 869635757 /nfs/dbraw/zinc/63/57/57/869635757.db2.gz FEOZLRVKBHCGRJ-QPUJVOFHSA-N -1 3 383.208 3.931 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(O)(C(F)(F)F)CC1 ZINC000121942030 882327030 /nfs/dbraw/zinc/32/70/30/882327030.db2.gz VOTSMTCLUHKBKP-UHFFFAOYSA-N -1 3 393.405 3.707 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)cc1[O-] ZINC000745650303 869720114 /nfs/dbraw/zinc/72/01/14/869720114.db2.gz AISWDYAVUAVXTN-UHFFFAOYSA-N -1 3 385.416 3.844 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000121892915 882335869 /nfs/dbraw/zinc/33/58/69/882335869.db2.gz RBPQYRWGVXRGEB-LBPRGKRZSA-N -1 3 394.443 3.661 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000462682477 869893163 /nfs/dbraw/zinc/89/31/63/869893163.db2.gz LIFZCHPZERCBAI-AWEZNQCLSA-N -1 3 395.443 3.635 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1ccc(F)cc1 ZINC000462702673 869929115 /nfs/dbraw/zinc/92/91/15/869929115.db2.gz HSXPPGGBUZSPTP-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCC1(C(F)(F)F)CCCC1 ZINC000640299021 882354015 /nfs/dbraw/zinc/35/40/15/882354015.db2.gz JNLBLQNQDJOUBF-UHFFFAOYSA-N -1 3 392.731 3.765 20 0 GHADHM O=C(COC1CCOCC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000539872892 869942594 /nfs/dbraw/zinc/94/25/94/869942594.db2.gz MBWARHLRSANPBQ-UHFFFAOYSA-N -1 3 384.457 3.803 20 0 GHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000462725319 869951635 /nfs/dbraw/zinc/95/16/35/869951635.db2.gz GBIJTBLOZBJIBE-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM CCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C(F)(F)F)c1 ZINC000920757846 882360660 /nfs/dbraw/zinc/36/06/60/882360660.db2.gz QCXDGYXHACETSX-UVTDQMKNSA-N -1 3 376.334 3.827 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011810232 882377697 /nfs/dbraw/zinc/37/76/97/882377697.db2.gz REOVDFQZMZKJCL-UHFFFAOYSA-N -1 3 383.231 3.956 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(F)cc1C(F)(F)F ZINC000173542949 882378214 /nfs/dbraw/zinc/37/82/14/882378214.db2.gz VKSFVXWILCEKFS-KGLIPLIRSA-N -1 3 391.390 3.503 20 0 GHADHM O=C(Cc1cccc(OCc2cccnc2)c1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000539994176 870176922 /nfs/dbraw/zinc/17/69/22/870176922.db2.gz DKWQHCKFCYMAPF-UHFFFAOYSA-N -1 3 384.439 3.654 20 0 GHADHM O=C([N-]NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000016240333 870232465 /nfs/dbraw/zinc/23/24/65/870232465.db2.gz ZQPCDOFFWHETMJ-UHFFFAOYSA-N -1 3 385.232 3.533 20 0 GHADHM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540039234 870281978 /nfs/dbraw/zinc/28/19/78/870281978.db2.gz JQXVOFYHUTVMCR-UHFFFAOYSA-N -1 3 382.279 3.883 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ncc(Br)s1 ZINC000189479231 870299684 /nfs/dbraw/zinc/29/96/84/870299684.db2.gz CIWLPNFXRICSRH-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc([C@@H](C)O)cc3)cc2)cc(=O)[n-]1 ZINC000920837311 882402937 /nfs/dbraw/zinc/40/29/37/882402937.db2.gz XKHVUQVEFDOWFG-CYBMUJFWSA-N -1 3 378.432 3.533 20 0 GHADHM CCOC(=O)C1=C([N-]C(=O)c2c(Cl)nc(SC)nc2Cl)CCCC1 ZINC001192629014 870576454 /nfs/dbraw/zinc/57/64/54/870576454.db2.gz HHRRROQMLGQFGA-UHFFFAOYSA-N -1 3 390.292 3.626 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1cccnc1Oc1ccccc1 ZINC001192691346 870602173 /nfs/dbraw/zinc/60/21/73/870602173.db2.gz NEAGRTWZYZCXPY-UHFFFAOYSA-N -1 3 377.223 3.740 20 0 GHADHM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001192664499 870613996 /nfs/dbraw/zinc/61/39/96/870613996.db2.gz NGSPCGPVURZBIN-NRFANRHFSA-N -1 3 390.405 3.690 20 0 GHADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000746401350 870615472 /nfs/dbraw/zinc/61/54/72/870615472.db2.gz ODLNSVLRKBXSBB-LLVKDONJSA-N -1 3 392.868 3.801 20 0 GHADHM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000746401350 870615479 /nfs/dbraw/zinc/61/54/79/870615479.db2.gz ODLNSVLRKBXSBB-LLVKDONJSA-N -1 3 392.868 3.801 20 0 GHADHM CN1CCC(N(Cc2ccc(F)cc2)C(=O)c2c(F)ccc(F)c2[O-])CC1 ZINC001192705657 870629404 /nfs/dbraw/zinc/62/94/04/870629404.db2.gz CKTVSCNFQGKCHH-UHFFFAOYSA-N -1 3 378.394 3.546 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc2ccccc2cc1[O-] ZINC001192758390 870673671 /nfs/dbraw/zinc/67/36/71/870673671.db2.gz ILHATFBWYCECEY-LJQANCHMSA-N -1 3 378.428 3.841 20 0 GHADHM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cnc4c(cnn4C)c3[O-])C2)cc1 ZINC000461709036 870782515 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GHADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c[n-]1 ZINC000617872318 870985100 /nfs/dbraw/zinc/98/51/00/870985100.db2.gz ROLQJDRWGOGZFG-CHWSQXEVSA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)CN(Cc1cc(=O)oc2c(C)c([O-])ccc12)[C@H](C)c1ccccc1 ZINC001168902496 870985901 /nfs/dbraw/zinc/98/59/01/870985901.db2.gz JWCXPLIFLWSHSW-MRXNPFEDSA-N -1 3 395.455 3.933 20 0 GHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2oc(-c3ccccc3)nc2C)c1 ZINC000181413426 870988228 /nfs/dbraw/zinc/98/82/28/870988228.db2.gz BDYPKHCSMYQCFC-QGZVFWFLSA-N -1 3 375.384 3.620 20 0 GHADHM Cc1cccnc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000538967016 870989407 /nfs/dbraw/zinc/98/94/07/870989407.db2.gz SLBTWLIGGSXILP-UHFFFAOYSA-N -1 3 381.501 3.823 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1Cl ZINC001193275472 870998621 /nfs/dbraw/zinc/99/86/21/870998621.db2.gz UDUCHUOCRDZCBA-LBPRGKRZSA-N -1 3 390.889 3.608 20 0 GHADHM CC(C)[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000263129456 882470833 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GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1 ZINC001193710974 871267140 /nfs/dbraw/zinc/26/71/40/871267140.db2.gz YIGAVDXMGQVJBE-UHFFFAOYSA-N -1 3 385.342 3.645 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1 ZINC001193710974 871267160 /nfs/dbraw/zinc/26/71/60/871267160.db2.gz YIGAVDXMGQVJBE-UHFFFAOYSA-N -1 3 385.342 3.645 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000542624374 871317216 /nfs/dbraw/zinc/31/72/16/871317216.db2.gz KBJOHBYPXNACMP-XHDPSFHLSA-N -1 3 395.415 3.587 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001193818948 871325215 /nfs/dbraw/zinc/32/52/15/871325215.db2.gz FTVQVANQWLRSJO-AAEUAGOBSA-N -1 3 397.846 3.700 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1([C@H](C)CCO)CCC1 ZINC000540484173 871371487 /nfs/dbraw/zinc/37/14/87/871371487.db2.gz ZGNWQRIPIFWZRK-GFCCVEGCSA-N -1 3 385.913 3.862 20 0 GHADHM Cc1nc(NC(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)cc(=O)[n-]1 ZINC001194025942 871441401 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COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1C)c1cccc2ccccc21 ZINC001194658936 871874740 /nfs/dbraw/zinc/87/47/40/871874740.db2.gz LKKYCBYJRRSHFC-LJQANCHMSA-N -1 3 383.469 3.649 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@H](C)[C@@H](C)C3)nc(=O)c2c1C ZINC000253556552 871880792 /nfs/dbraw/zinc/88/07/92/871880792.db2.gz UYEVVKDKTVWHNV-MDZLAQPJSA-N -1 3 377.510 3.921 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000618762064 871960783 /nfs/dbraw/zinc/96/07/83/871960783.db2.gz CCQYFIVMBDDWFV-SFHVURJKSA-N -1 3 379.378 3.732 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1[O-] ZINC000552069647 871974632 /nfs/dbraw/zinc/97/46/32/871974632.db2.gz AVMPANSOZUCSQR-SECBINFHSA-N -1 3 383.370 3.713 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC001194862981 871993083 /nfs/dbraw/zinc/99/30/83/871993083.db2.gz ATTQMWXZYKBQQR-UHFFFAOYSA-N -1 3 392.477 3.990 20 0 GHADHM CCOC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1noc2c1COCC2 ZINC000857843966 882582265 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Cc1cc(C)c([N-]S(=O)(=O)c2cncc(Br)c2)c(Cl)c1 ZINC000763510850 872151464 /nfs/dbraw/zinc/15/14/64/872151464.db2.gz SKKGDLKBDYPNGK-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC[C@](C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000618960377 872175461 /nfs/dbraw/zinc/17/54/61/872175461.db2.gz JMZZKGMHLXUHLQ-REWPJTCUSA-N -1 3 380.488 3.948 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)c1ccc(Cl)[n-]c1=O ZINC001195139986 872196122 /nfs/dbraw/zinc/19/61/22/872196122.db2.gz CSPSNLZMTUDWGL-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM Cc1nnc([C@@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)[nH]1 ZINC000540847173 872305670 /nfs/dbraw/zinc/30/56/70/872305670.db2.gz YOTBXGZHFBNHPO-LJQANCHMSA-N -1 3 390.487 3.624 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000552287458 872354545 /nfs/dbraw/zinc/35/45/45/872354545.db2.gz SLHALVMQOKSQIP-NXEZZACHSA-N -1 3 375.053 3.643 20 0 GHADHM CCOC([O-])=NC(=S)Nc1c(C)cnn1Cc1ccc(C(F)(F)F)cc1 ZINC001195458695 872402235 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CCOC(=O)c1ncc(NC(=O)c2ccccc2OCc2ccccc2C)[n-]1 ZINC000619448845 872642601 /nfs/dbraw/zinc/64/26/01/872642601.db2.gz ISRJNNSSORIHLF-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2OCc2ccccc2C)c[n-]1 ZINC000619448845 872642612 /nfs/dbraw/zinc/64/26/12/872642612.db2.gz ISRJNNSSORIHLF-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM Cc1ccc(Cl)c(O[C@H]2CCCN(S(=O)(=O)c3ccc([O-])cc3)C2)c1 ZINC001195784587 872659258 /nfs/dbraw/zinc/65/92/58/872659258.db2.gz POAAGGQGIJKJOD-HNNXBMFYSA-N -1 3 381.881 3.586 20 0 GHADHM O=S(=O)(Nc1c(Br)cccc1C(F)(F)F)c1ccc([O-])cc1 ZINC001195808378 872678587 /nfs/dbraw/zinc/67/85/87/872678587.db2.gz YFZSBQAIKVQUFF-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc([O-])cc1 ZINC001195825599 872697033 /nfs/dbraw/zinc/69/70/33/872697033.db2.gz VDUFNRWYYMQXTO-CYBMUJFWSA-N -1 3 399.312 3.993 20 0 GHADHM CC(C)(CNS(=O)(=O)c1ccc([O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC001195835965 872703977 /nfs/dbraw/zinc/70/39/77/872703977.db2.gz RAONJFKIGJAOMT-UHFFFAOYSA-N -1 3 387.423 3.958 20 0 GHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000619528165 872712277 /nfs/dbraw/zinc/71/22/77/872712277.db2.gz BVRXSKJXIZZZBZ-NSHDSACASA-N -1 3 394.301 3.638 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)[nH][n-]1 ZINC000541025611 872745561 /nfs/dbraw/zinc/74/55/61/872745561.db2.gz ZFPXECPPPDGJGK-SCLBCKFNSA-N -1 3 391.899 3.940 20 0 GHADHM CCOC(=O)[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)Cc1ccccc1 ZINC000527163523 872765581 /nfs/dbraw/zinc/76/55/81/872765581.db2.gz DKEMRDXNJYLMOQ-LJQANCHMSA-N -1 3 377.440 3.697 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(N2CCCCC2=O)cc1 ZINC000794217741 882658452 /nfs/dbraw/zinc/65/84/52/882658452.db2.gz CLACERLSGRXSIG-OAHLLOKOSA-N -1 3 389.455 3.536 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000619664452 872876046 /nfs/dbraw/zinc/87/60/46/872876046.db2.gz NCYOFOYNUDDTCC-MRVPVSSYSA-N -1 3 386.233 3.792 20 0 GHADHM C[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000151601944 872948259 /nfs/dbraw/zinc/94/82/59/872948259.db2.gz ZNPLJACNWWMSOK-KGLIPLIRSA-N -1 3 389.452 3.660 20 0 GHADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000448152471 872963404 /nfs/dbraw/zinc/96/34/04/872963404.db2.gz ZOTSUASQPJHCHP-OAQYLSRUSA-N -1 3 387.487 3.524 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2OC(F)(F)F)c1ccc(Cl)cn1 ZINC001196257919 872974586 /nfs/dbraw/zinc/97/45/86/872974586.db2.gz HRUQJPVHCGULRK-GFCCVEGCSA-N -1 3 392.786 3.599 20 0 GHADHM CCCc1csc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000768015145 873026703 /nfs/dbraw/zinc/02/67/03/873026703.db2.gz CDTWVILTWBPHQP-UHFFFAOYSA-N -1 3 399.513 3.564 20 0 GHADHM C[C@@H](CNc1cc(=NC[C@@H](C)CC(F)(F)F)nc2nc[n-]n21)CC(F)(F)F ZINC000413542256 873079328 /nfs/dbraw/zinc/07/93/28/873079328.db2.gz WPJRPFWDVQVUHQ-VHSXEESVSA-N -1 3 398.355 3.547 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](OCCC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000530729445 873097518 /nfs/dbraw/zinc/09/75/18/873097518.db2.gz PQCFYIGKGQFJLI-GOSISDBHSA-N -1 3 384.480 3.827 20 0 GHADHM Cc1cccc(NC(=S)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1C ZINC001196413064 873099157 /nfs/dbraw/zinc/09/91/57/873099157.db2.gz OPROAPHCXSPGMI-HNNXBMFYSA-N -1 3 377.510 3.516 20 0 GHADHM COCCC1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CC1 ZINC000448244072 873114895 /nfs/dbraw/zinc/11/48/95/873114895.db2.gz XRWKWJZZHIWSKH-UHFFFAOYSA-N -1 3 398.688 3.670 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc2c(cn1)CCCC2 ZINC000464069261 873146036 /nfs/dbraw/zinc/14/60/36/873146036.db2.gz NSFGHTJDFWSYCZ-UHFFFAOYSA-N -1 3 376.254 3.750 20 0 GHADHM Nc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000262421215 873148609 /nfs/dbraw/zinc/14/86/09/873148609.db2.gz DZGXVMSSAIUEIT-NSHDSACASA-N -1 3 377.318 3.993 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1csc(-c2ccc(Cl)s2)n1 ZINC000527499967 873184245 /nfs/dbraw/zinc/18/42/45/873184245.db2.gz LDEUXSMSAWUCJQ-SNVBAGLBSA-N -1 3 380.882 3.774 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(CCO)Cc1cccnc1Cl ZINC000794331155 882700602 /nfs/dbraw/zinc/70/06/02/882700602.db2.gz ZATULKFNRKANMX-UHFFFAOYSA-N -1 3 398.846 3.868 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)cc2)n1 ZINC000116004686 873257676 /nfs/dbraw/zinc/25/76/76/873257676.db2.gz FBJBWBRORRXNHI-GJZGRUSLSA-N -1 3 381.382 3.766 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Oc3ccccn3)cc2)c1 ZINC001196798101 873367107 /nfs/dbraw/zinc/36/71/07/873367107.db2.gz UXQJAGYRADJVCG-UHFFFAOYSA-N -1 3 388.420 3.500 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(F)c(OC(C)C)c1F ZINC001196921236 873452139 /nfs/dbraw/zinc/45/21/39/873452139.db2.gz SNFTZGZQAYQWDF-UHFFFAOYSA-N -1 3 383.322 3.636 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000127454314 882728473 /nfs/dbraw/zinc/72/84/73/882728473.db2.gz DDBPHECCEQKCSW-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000127454314 882728483 /nfs/dbraw/zinc/72/84/83/882728483.db2.gz DDBPHECCEQKCSW-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM Cc1nc(-c2noc3ccccc32)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001197078904 873584648 /nfs/dbraw/zinc/58/46/48/873584648.db2.gz NEWKFGIOLGZGPW-UHFFFAOYSA-N -1 3 394.338 3.649 20 0 GHADHM Cc1nc(-c2noc3ccccc32)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001197078904 873584653 /nfs/dbraw/zinc/58/46/53/873584653.db2.gz NEWKFGIOLGZGPW-UHFFFAOYSA-N -1 3 394.338 3.649 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)c1 ZINC001197110755 873605700 /nfs/dbraw/zinc/60/57/00/873605700.db2.gz VRCOPDHNBBZAMS-VMPITWQZSA-N -1 3 387.791 3.605 20 0 GHADHM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768880240 873643240 /nfs/dbraw/zinc/64/32/40/873643240.db2.gz ARZOQLWQNXVEKF-MDZDMXLPSA-N -1 3 389.864 3.952 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000541489379 873685488 /nfs/dbraw/zinc/68/54/88/873685488.db2.gz VSPFYUBBCRSXTJ-LLVKDONJSA-N -1 3 377.282 3.799 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000527888970 873719603 /nfs/dbraw/zinc/71/96/03/873719603.db2.gz VHZPGYPXOYDMHI-GOSISDBHSA-N -1 3 390.277 3.741 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ncc(Cl)cc1Br ZINC001197556349 873897439 /nfs/dbraw/zinc/89/74/39/873897439.db2.gz HIOINXCKGONXCQ-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528102798 874020218 /nfs/dbraw/zinc/02/02/18/874020218.db2.gz MSTUFOGEWKFXOA-SJORKVTESA-N -1 3 394.240 3.944 20 0 GHADHM COC(=O)c1ccc([O-])cc1NC(=S)Nc1ccccc1Br ZINC001197792420 874050986 /nfs/dbraw/zinc/05/09/86/874050986.db2.gz UBAAIQHUTUBZPX-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC(C)C3)ccc2C)c(C)c1 ZINC000669910439 874153970 /nfs/dbraw/zinc/15/39/70/874153970.db2.gz HSNWVNVMCXOVGY-UHFFFAOYSA-N -1 3 386.517 3.813 20 0 GHADHM CSc1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000775808653 874169638 /nfs/dbraw/zinc/16/96/38/874169638.db2.gz HSKMHJLVUGLVNR-UHFFFAOYSA-N -1 3 396.509 3.795 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3CCC[C@@H]3C)c2)c1 ZINC000769780708 874286116 /nfs/dbraw/zinc/28/61/16/874286116.db2.gz WTYDONRENQLTQE-ORAYPTAESA-N -1 3 398.459 3.580 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CC1)c1cccc(Cl)n1 ZINC001198253685 874313483 /nfs/dbraw/zinc/31/34/83/874313483.db2.gz RZIWVGNICAEZRQ-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM C[C@@H](CC[N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000769907369 874334074 /nfs/dbraw/zinc/33/40/74/874334074.db2.gz PSGPYBFTRAGNFW-JTQLQIEISA-N -1 3 395.834 3.564 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2F)cn1 ZINC001198318042 874349016 /nfs/dbraw/zinc/34/90/16/874349016.db2.gz PCJIBBPMTVBDHG-UHFFFAOYSA-N -1 3 381.429 3.677 20 0 GHADHM COC(=O)CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ccccc1 ZINC000769884025 874350234 /nfs/dbraw/zinc/35/02/34/874350234.db2.gz SGJDOIIPACMGFM-UHFFFAOYSA-N -1 3 391.423 3.791 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000541830144 874352361 /nfs/dbraw/zinc/35/23/61/874352361.db2.gz PZXVSMNUOVIVIU-WMLDXEAASA-N -1 3 385.407 3.611 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]c2cc(OC(C)C)c(Cl)cc2Cl)n1C ZINC001198404678 874394187 /nfs/dbraw/zinc/39/41/87/874394187.db2.gz VJEJGPRZIVQPHD-UHFFFAOYSA-N -1 3 378.281 3.623 20 0 GHADHM CC(C)(C)c1ccc(NC(=S)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001198485953 874457146 /nfs/dbraw/zinc/45/71/46/874457146.db2.gz AGTQCYNTZUHMEY-UHFFFAOYSA-N -1 3 397.544 3.845 20 0 GHADHM CCc1cc2c(CN3CCC[C@H]3c3ccc(OC)cn3)cc(=O)oc2cc1[O-] ZINC001198597629 874508276 /nfs/dbraw/zinc/50/82/76/874508276.db2.gz VVBPYDPWHXMVKU-IBGZPJMESA-N -1 3 380.444 3.802 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)O1 ZINC000464851799 874639220 /nfs/dbraw/zinc/63/92/20/874639220.db2.gz AXBGJELOHLAXNH-MJGOQNOKSA-N -1 3 388.489 3.692 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000775907068 874674141 /nfs/dbraw/zinc/67/41/41/874674141.db2.gz DUZJAAYIZKBSIN-UHFFFAOYSA-N -1 3 382.292 3.699 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccco2)nc2ccccc21 ZINC000775910218 874676763 /nfs/dbraw/zinc/67/67/63/874676763.db2.gz JHBLZYVXTYBNOM-UHFFFAOYSA-N -1 3 387.321 3.562 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775912112 874677415 /nfs/dbraw/zinc/67/74/15/874677415.db2.gz XAQSWTXZRGDCDM-FNORWQNLSA-N -1 3 379.169 3.850 20 0 GHADHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000775911402 874677678 /nfs/dbraw/zinc/67/76/78/874677678.db2.gz OZMDKSVRDMUAKR-VURMDHGXSA-N -1 3 378.276 3.562 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc21)c1cccnc1C(F)(F)F ZINC000528536145 874682456 /nfs/dbraw/zinc/68/24/56/874682456.db2.gz ZLDOJOAIHCCCIY-GFCCVEGCSA-N -1 3 376.787 3.720 20 0 GHADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000542016466 874743790 /nfs/dbraw/zinc/74/37/90/874743790.db2.gz GCWVJNPIUXFPHS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000542016466 874743994 /nfs/dbraw/zinc/74/39/94/874743994.db2.gz GCWVJNPIUXFPHS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)c1ccco1 ZINC000542050066 874855518 /nfs/dbraw/zinc/85/55/18/874855518.db2.gz SBETWPGGRLURDJ-MRXNPFEDSA-N -1 3 390.461 3.627 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001199316744 874921665 /nfs/dbraw/zinc/92/16/65/874921665.db2.gz GHGGRMMTNINYLP-UHFFFAOYSA-N -1 3 390.754 3.879 20 0 GHADHM COc1cccc(-n2cncc2C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001199387588 874935576 /nfs/dbraw/zinc/93/55/76/874935576.db2.gz FEURQJQMVWMZBE-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM O=C(C[C@@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1)c1ccco1 ZINC000528821280 875122829 /nfs/dbraw/zinc/12/28/29/875122829.db2.gz RNXUZAZWVAAEAF-ZDUSSCGKSA-N -1 3 378.222 3.625 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000771714865 875409729 /nfs/dbraw/zinc/40/97/29/875409729.db2.gz RCGCHWGEPBUCRO-BMIGLBTASA-N -1 3 398.290 3.773 20 0 GHADHM O=c1[n-]c(Br)cnc1NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001201001054 875455714 /nfs/dbraw/zinc/45/57/14/875455714.db2.gz AMXAQPHZYGEGKV-UHFFFAOYSA-N -1 3 394.081 3.648 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465291219 875458392 /nfs/dbraw/zinc/45/83/92/875458392.db2.gz UGNGKEUHOWRPAB-GOEBONIOSA-N -1 3 390.480 3.887 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CC2)c1ccc(Oc2ccncc2)cc1 ZINC001201628308 875803024 /nfs/dbraw/zinc/80/30/24/875803024.db2.gz WULVFGNLPNWLGT-HXUWFJFHSA-N -1 3 382.441 3.654 20 0 GHADHM COc1ccc([C@H](NCC(=O)[N-]OCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000772202637 875803205 /nfs/dbraw/zinc/80/32/05/875803205.db2.gz UYJMFCOXLCWVMS-HSZRJFAPSA-N -1 3 394.446 3.761 20 0 GHADHM COC(=O)Cc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799789 875867104 /nfs/dbraw/zinc/86/71/04/875867104.db2.gz OOFDFQSNRGFGLH-UHFFFAOYSA-N -1 3 375.490 3.745 20 0 GHADHM O=S(=O)([N-]C1CC2(C1)CC(F)(F)C2)c1ncccc1OCc1ccccc1 ZINC001201898508 875914329 /nfs/dbraw/zinc/91/43/29/875914329.db2.gz ABRLHFQSCWDSQR-UHFFFAOYSA-N -1 3 394.443 3.517 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000450183816 876063392 /nfs/dbraw/zinc/06/33/92/876063392.db2.gz DURFIQFKGPLSOC-IVZQSRNASA-N -1 3 387.451 3.515 20 0 GHADHM COc1cccc(NC(=O)Nc2cc(I)ccc2[O-])c1 ZINC001202278714 876100708 /nfs/dbraw/zinc/10/07/08/876100708.db2.gz VLIDSKTVUHYWHG-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1 ZINC000303974441 876152607 /nfs/dbraw/zinc/15/26/07/876152607.db2.gz UZXRDXAKNNVZLJ-UHFFFAOYSA-N -1 3 383.469 3.768 20 0 GHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000173312464 876309951 /nfs/dbraw/zinc/30/99/51/876309951.db2.gz SWSCLCAHXANCCR-UHFFFAOYSA-N -1 3 395.834 3.622 20 0 GHADHM Cc1cc2c(o1)c(C(=O)[N-]n1cnc3ccccc3c1=O)ccc2Br ZINC000785865505 876311309 /nfs/dbraw/zinc/31/13/09/876311309.db2.gz UVOPAXYMNLYOIF-UHFFFAOYSA-N -1 3 398.216 3.598 20 0 GHADHM CCN1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450405053 876385885 /nfs/dbraw/zinc/38/58/85/876385885.db2.gz OLAVGGZSDCMRIM-XLIONFOSSA-N -1 3 394.849 3.818 20 0 GHADHM CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc3occc3[n-]2)cc1 ZINC000786032004 876419384 /nfs/dbraw/zinc/41/93/84/876419384.db2.gz XBLWDFKMFDEMFM-LBPRGKRZSA-N -1 3 384.388 3.510 20 0 GHADHM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000786099015 876443490 /nfs/dbraw/zinc/44/34/90/876443490.db2.gz GOZBENKEXZVFIB-UHFFFAOYSA-N -1 3 375.490 3.998 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000786142009 876472032 /nfs/dbraw/zinc/47/20/32/876472032.db2.gz RSMMGQDQSVHXDS-LLVKDONJSA-N -1 3 376.455 3.928 20 0 GHADHM Cn1ncc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)(F)F)n1 ZINC000786212731 876533615 /nfs/dbraw/zinc/53/36/15/876533615.db2.gz RGWABJRDUGAKMR-UHFFFAOYSA-N -1 3 384.305 3.741 20 0 GHADHM CO[C@@]1(C)C[C@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000174018638 876781677 /nfs/dbraw/zinc/78/16/77/876781677.db2.gz IYAOVOFWIAJLIE-XOBRGWDASA-N -1 3 387.505 3.880 20 0 GHADHM Cc1oc2ccccc2c1CNCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000850415220 876895802 /nfs/dbraw/zinc/89/58/02/876895802.db2.gz AHBGQSVRFPXWDG-UHFFFAOYSA-N -1 3 398.463 3.551 20 0 GHADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cc(F)c(C)cc3F)co2)cc1 ZINC000475747288 883077866 /nfs/dbraw/zinc/07/78/66/883077866.db2.gz IQBPVZMBYNSIFI-UHFFFAOYSA-N -1 3 392.427 3.758 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786834930 876953408 /nfs/dbraw/zinc/95/34/08/876953408.db2.gz UZDYLFRJRDLKKR-MRXNPFEDSA-N -1 3 394.487 3.760 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786834929 876953473 /nfs/dbraw/zinc/95/34/73/876953473.db2.gz UZDYLFRJRDLKKR-INIZCTEOSA-N -1 3 394.487 3.760 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CCCCC3(F)F)[n-]c(=O)c12 ZINC000450820729 876955717 /nfs/dbraw/zinc/95/57/17/876955717.db2.gz OUYINMCPFAMUDG-SNVBAGLBSA-N -1 3 383.420 3.743 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000450989280 877157264 /nfs/dbraw/zinc/15/72/64/877157264.db2.gz QDOSCSLUSRNHJF-HNNXBMFYSA-N -1 3 375.368 3.557 20 0 GHADHM Cc1nc(-c2ccc(NC[C@@H](c3ccccc3Cl)N(C)C)nc2)[n-]c(=O)c1C ZINC000174672305 877161386 /nfs/dbraw/zinc/16/13/86/877161386.db2.gz GGMMFYJJDPIFEJ-SFHVURJKSA-N -1 3 397.910 3.817 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000858455470 883112644 /nfs/dbraw/zinc/11/26/44/883112644.db2.gz YRJHPZXUBPDFMY-LBPRGKRZSA-N -1 3 397.269 3.707 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787244695 877262071 /nfs/dbraw/zinc/26/20/71/877262071.db2.gz BAJUVFFIYTTXFF-HOCLYGCPSA-N -1 3 394.487 3.616 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000610058069 877340219 /nfs/dbraw/zinc/34/02/19/877340219.db2.gz DJLXLCNCHSWIGM-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787314262 877340394 /nfs/dbraw/zinc/34/03/94/877340394.db2.gz GMJQHFMVIFXWQY-CVEARBPZSA-N -1 3 394.487 3.806 20 0 GHADHM O=S(=O)([N-]c1cccc(NCC(F)(F)F)c1)c1ccc2c(c1)CCCO2 ZINC000451087192 877344636 /nfs/dbraw/zinc/34/46/36/877344636.db2.gz HHDIPEKQMQTRCP-UHFFFAOYSA-N -1 3 386.395 3.787 20 0 GHADHM Cn1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c(C(F)(F)F)n1 ZINC000787469810 877439586 /nfs/dbraw/zinc/43/95/86/877439586.db2.gz PDEBQJYRZPRJNL-UHFFFAOYSA-N -1 3 393.350 3.956 20 0 GHADHM O=S(=O)([N-]Cc1ccc(N2CCCCCC2)nc1)c1cccc(Cl)c1F ZINC000615247422 877547090 /nfs/dbraw/zinc/54/70/90/877547090.db2.gz XMMACMFALKMAQJ-UHFFFAOYSA-N -1 3 397.903 3.733 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000615299072 877623020 /nfs/dbraw/zinc/62/30/20/877623020.db2.gz AVIZIHUDKIIHIF-HNNXBMFYSA-N -1 3 399.310 3.874 20 0 GHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000615298967 877623328 /nfs/dbraw/zinc/62/33/28/877623328.db2.gz ABVBYWLPFGORFF-LLVKDONJSA-N -1 3 375.799 3.977 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N(Cc1ccccc1)C1CC1 ZINC000787844810 877664194 /nfs/dbraw/zinc/66/41/94/877664194.db2.gz OHAHFKFCLZHEJO-UHFFFAOYSA-N -1 3 385.435 3.588 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c(F)c1 ZINC000787845798 877666095 /nfs/dbraw/zinc/66/60/95/877666095.db2.gz PKOWKFZJQVMSLP-ZDUSSCGKSA-N -1 3 377.387 3.872 20 0 GHADHM CC(C)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@@H]1C ZINC000787847072 877666283 /nfs/dbraw/zinc/66/62/83/877666283.db2.gz ZLNCRAFDPKCNKN-MGPUTAFESA-N -1 3 379.472 3.823 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc2ncccc21 ZINC000787847846 877669615 /nfs/dbraw/zinc/66/96/15/877669615.db2.gz HOFGZQAWZMXKRC-AWEZNQCLSA-N -1 3 396.418 3.973 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001212268884 877732917 /nfs/dbraw/zinc/73/29/17/877732917.db2.gz ZOFPBFMGOKVNNT-UHFFFAOYSA-N -1 3 382.420 3.699 20 0 GHADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000175746572 877882813 /nfs/dbraw/zinc/88/28/13/877882813.db2.gz KCRSNNSTJXVOLY-UHFFFAOYSA-N -1 3 381.734 3.552 20 0 GHADHM CCOc1cc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)on1 ZINC000451372102 877892728 /nfs/dbraw/zinc/89/27/28/877892728.db2.gz XGBGDQCJCDAJLE-UHFFFAOYSA-N -1 3 398.444 3.642 20 0 GHADHM O=S(=O)([N-]CCC1SCCS1)c1ccc(Cl)cc1C(F)(F)F ZINC000851844744 877939559 /nfs/dbraw/zinc/93/95/59/877939559.db2.gz BWIRXTTWWPROSM-UHFFFAOYSA-N -1 3 391.889 3.833 20 0 GHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC000788276955 877988800 /nfs/dbraw/zinc/98/88/00/877988800.db2.gz UHLVSNAPOLYJIE-UHFFFAOYSA-N -1 3 394.496 3.768 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000788491579 878100671 /nfs/dbraw/zinc/10/06/71/878100671.db2.gz DYVWCQZIGKGDJQ-UHFFFAOYSA-N -1 3 391.493 3.900 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000615797931 878120185 /nfs/dbraw/zinc/12/01/85/878120185.db2.gz HWUYPXIOCBEZTH-UHFFFAOYSA-N -1 3 390.480 3.887 20 0 GHADHM COCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)cc21 ZINC000537741033 878228553 /nfs/dbraw/zinc/22/85/53/878228553.db2.gz XGNGLWGWQKYISJ-UHFFFAOYSA-N -1 3 388.489 3.714 20 0 GHADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])c2cnn(Cc3cccs3)c2n1 ZINC000530657500 878275530 /nfs/dbraw/zinc/27/55/30/878275530.db2.gz KKJKFTSNXJDAGX-UHFFFAOYSA-N -1 3 382.420 3.947 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc2c(c1)N(Cc1ccc([O-])c(F)c1)CCO2 ZINC001183171299 912329601 /nfs/dbraw/zinc/32/96/01/912329601.db2.gz RHPKHHVEEGEGRC-UHFFFAOYSA-N -1 3 388.439 3.955 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2[nH]1 ZINC000530714415 878330952 /nfs/dbraw/zinc/33/09/52/878330952.db2.gz RWNFJKZFOYTUAR-UHFFFAOYSA-N -1 3 384.457 3.650 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Cl)cc1F ZINC000616021530 878397853 /nfs/dbraw/zinc/39/78/53/878397853.db2.gz KONIMXZAQJYJPJ-SFHVURJKSA-N -1 3 397.855 3.680 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000537867064 878419361 /nfs/dbraw/zinc/41/93/61/878419361.db2.gz GDMURVXBPDAHIA-BEFAXECRSA-N -1 3 389.448 3.936 20 0 GHADHM CSc1nc(C(=O)Nc2cc(Br)ccc2[O-])c2ccccn12 ZINC000530777011 878475462 /nfs/dbraw/zinc/47/54/62/878475462.db2.gz DHILORMDYFEWMH-UHFFFAOYSA-N -1 3 378.251 3.777 20 0 GHADHM CCc1cc2c(CN[C@H](CC)c3nnc4n3CCCCC4)cc(=O)oc2cc1[O-] ZINC000852628125 878478756 /nfs/dbraw/zinc/47/87/56/878478756.db2.gz KXNRGSAGSHIOOI-QGZVFWFLSA-N -1 3 396.491 3.620 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1ccc(Cl)cc1Br ZINC000451826639 878536971 /nfs/dbraw/zinc/53/69/71/878536971.db2.gz SNECONNWSFDVMQ-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000538009639 878667023 /nfs/dbraw/zinc/66/70/23/878667023.db2.gz CFJFAQUHGSBRNM-UHFFFAOYSA-N -1 3 375.425 3.599 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)c(F)cc(F)c3F)c2)n1 ZINC000177543422 878747374 /nfs/dbraw/zinc/74/73/74/878747374.db2.gz UKKDMMOOKQTFTA-UHFFFAOYSA-N -1 3 391.324 3.808 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(OC)c2)c(C)c1 ZINC000853041503 878767201 /nfs/dbraw/zinc/76/72/01/878767201.db2.gz JQEGBOKOGIXMNB-UHFFFAOYSA-N -1 3 387.404 3.805 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3CC(=O)c4ccccc43)nc(=O)c2c1C ZINC000789301664 878818520 /nfs/dbraw/zinc/81/85/20/878818520.db2.gz BNAWSVGYMOPQDU-YGRLFVJLSA-N -1 3 382.441 3.988 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000460926424 878831968 /nfs/dbraw/zinc/83/19/68/878831968.db2.gz KMRQSZWYSXQGIS-KRWDZBQOSA-N -1 3 393.921 3.822 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2sc(-c3ccccc3)nc2C)s1 ZINC000460943364 878863389 /nfs/dbraw/zinc/86/33/89/878863389.db2.gz KWZDLEJXWMXANI-UHFFFAOYSA-N -1 3 379.532 3.616 20 0 GHADHM O=c1cc(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)nc2cc[n-]n21 ZINC000177862703 878892250 /nfs/dbraw/zinc/89/22/50/878892250.db2.gz UDVJKAWAGQFQGB-UHFFFAOYSA-N -1 3 391.302 3.784 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CSc2ccccc2O1)c1ccc(Cl)s1 ZINC001212284416 878931460 /nfs/dbraw/zinc/93/14/60/878931460.db2.gz YPRSQPZSQKGGPW-JTQLQIEISA-N -1 3 375.924 3.623 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000531010154 878942051 /nfs/dbraw/zinc/94/20/51/878942051.db2.gz YDJXKDHYKZSZBV-INIZCTEOSA-N -1 3 378.881 3.667 20 0 GHADHM CCO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C)C1CC1 ZINC000629304057 878943559 /nfs/dbraw/zinc/94/35/59/878943559.db2.gz QLBBZURAOWJKSD-CQSZACIVSA-N -1 3 396.734 3.968 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000130083838 879051715 /nfs/dbraw/zinc/05/17/15/879051715.db2.gz GZWBYYCGEVLORW-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000130083838 879051728 /nfs/dbraw/zinc/05/17/28/879051728.db2.gz GZWBYYCGEVLORW-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N1CCc2ccccc2C1 ZINC000531155915 879217527 /nfs/dbraw/zinc/21/75/27/879217527.db2.gz YSLGAKLQAFOGTD-LBPRGKRZSA-N -1 3 375.266 3.540 20 0 GHADHM O=S(=O)(/C=C\c1cccc(Br)c1)[N-]c1cnc(CC2CC2)nc1 ZINC000789739879 879255633 /nfs/dbraw/zinc/25/56/33/879255633.db2.gz YWBBYQHVLCCNJN-SREVYHEPSA-N -1 3 394.294 3.604 20 0 GHADHM Cc1ccc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])c(CN(C)C)c1 ZINC000538323029 879256786 /nfs/dbraw/zinc/25/67/86/879256786.db2.gz FCMYWFMRQPJLCF-UHFFFAOYSA-N -1 3 382.439 3.648 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000789742171 879257780 /nfs/dbraw/zinc/25/77/80/879257780.db2.gz LSHJKXDHOKWQGA-UHFFFAOYSA-N -1 3 392.496 3.654 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111568981 879274855 /nfs/dbraw/zinc/27/48/55/879274855.db2.gz IBPGRLMBOQGXCG-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000180793585 879329071 /nfs/dbraw/zinc/32/90/71/879329071.db2.gz FMLWKDVOIOXHOA-GFCCVEGCSA-N -1 3 393.256 3.536 20 0 GHADHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000493246069 879349125 /nfs/dbraw/zinc/34/91/25/879349125.db2.gz HENPJYGQUNYCPO-UHFFFAOYSA-N -1 3 381.375 3.744 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCC12CCCCC2 ZINC000617105714 879447031 /nfs/dbraw/zinc/44/70/31/879447031.db2.gz QAGUBMLQSMWVTA-LJQANCHMSA-N -1 3 394.519 3.692 20 0 GHADHM Cc1nn(-c2ccccc2C)c2sc(C(=O)[N-]c3nc4ccccn4n3)cc12 ZINC000538411172 879451113 /nfs/dbraw/zinc/45/11/13/879451113.db2.gz VNZHVDOGMWYSFZ-UHFFFAOYSA-N -1 3 388.456 3.999 20 0 GHADHM C[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000790097204 879462094 /nfs/dbraw/zinc/46/20/94/879462094.db2.gz QPHSDSQHHCFKOM-OKHBPPCESA-N -1 3 376.334 3.547 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1ccc(F)c(F)c1 ZINC000914327789 879646685 /nfs/dbraw/zinc/64/66/85/879646685.db2.gz XRLYVZUNWOVIGK-LBPRGKRZSA-N -1 3 383.388 3.630 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000538539295 879678255 /nfs/dbraw/zinc/67/82/55/879678255.db2.gz SDBORJNBUIYQOI-HOTGVXAUSA-N -1 3 380.535 3.682 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1c3c(ccc1OC)CCC3)CC2 ZINC000790409030 879685618 /nfs/dbraw/zinc/68/56/18/879685618.db2.gz KWWNPYCIPWZJMO-UHFFFAOYSA-N -1 3 385.485 3.922 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493907646 879709219 /nfs/dbraw/zinc/70/92/19/879709219.db2.gz PCDGYGNBEIRVNH-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(F)(F)F ZINC000493928853 879739869 /nfs/dbraw/zinc/73/98/69/879739869.db2.gz VLWCQKLOEGATLQ-SNVBAGLBSA-N -1 3 385.835 3.996 20 0 GHADHM Cc1cc(=NC(=O)c2cc3c(C)nn(C)c3s2)[n-]n1-c1cccc(Cl)c1 ZINC000538588836 879803846 /nfs/dbraw/zinc/80/38/46/879803846.db2.gz AYLYJMYXLLFJMK-UHFFFAOYSA-N -1 3 385.880 3.765 20 0 GHADHM Cc1cc(C(=O)CO[N-]C(=O)CCCc2ccccc2)c(C)n1-c1nccs1 ZINC000112335387 879893214 /nfs/dbraw/zinc/89/32/14/879893214.db2.gz DMDCEIDVWGVBJR-UHFFFAOYSA-N -1 3 397.500 3.804 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC000854603457 879942711 /nfs/dbraw/zinc/94/27/11/879942711.db2.gz IXJXBLXQDOCQTE-CZUORRHYSA-N -1 3 392.521 3.586 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000452758477 879994044 /nfs/dbraw/zinc/99/40/44/879994044.db2.gz RQCIVZSUYDYFNI-NSHDSACASA-N -1 3 397.313 3.877 20 0 GHADHM Cc1ncsc1CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([S-])cc1)C2 ZINC001272016921 880037775 /nfs/dbraw/zinc/03/77/75/880037775.db2.gz JVXWWFUTHQTIAL-HXUWFJFHSA-N -1 3 387.574 3.869 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)c(F)c1 ZINC000112627764 880051997 /nfs/dbraw/zinc/05/19/97/880051997.db2.gz FVJLGNUEJTWLCJ-OAHLLOKOSA-N -1 3 380.419 3.905 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CC3CCCC3)cs2)c1 ZINC000183509269 880116919 /nfs/dbraw/zinc/11/69/19/880116919.db2.gz ALBXRUDUYRBGAD-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM COc1ccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000452837310 880126716 /nfs/dbraw/zinc/12/67/16/880126716.db2.gz BIVRPYITBOTFIO-ZDUSSCGKSA-N -1 3 376.250 3.793 20 0 GHADHM CC(C)(C)OC(=O)CC1(NC(=O)c2cc([O-])c3ccccc3c2)CCOCC1 ZINC000854929973 880154958 /nfs/dbraw/zinc/15/49/58/880154958.db2.gz JCTJPFLFAFHKQX-UHFFFAOYSA-N -1 3 385.460 3.556 20 0 GHADHM CCc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cn2)c1 ZINC000286026530 912541114 /nfs/dbraw/zinc/54/11/14/912541114.db2.gz QCEJJBNGFNCVLH-CQSZACIVSA-N -1 3 379.338 3.814 20 0 GHADHM CSCC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1nnc2ccccn21 ZINC000791308251 880345295 /nfs/dbraw/zinc/34/52/95/880345295.db2.gz SEGIDBQBSFICPL-CQSZACIVSA-N -1 3 398.513 3.874 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000855198466 880346833 /nfs/dbraw/zinc/34/68/33/880346833.db2.gz FTNPFVVTMIBRGD-UHFFFAOYSA-N -1 3 399.447 3.628 20 0 GHADHM C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000747026584 880578721 /nfs/dbraw/zinc/57/87/21/880578721.db2.gz VPSVBUUGYLDFKM-SECBINFHSA-N -1 3 386.256 3.658 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nnc(C(C)C)s1 ZINC000531851351 880606081 /nfs/dbraw/zinc/60/60/81/880606081.db2.gz JNGHRMOJVZJPEI-UHFFFAOYSA-N -1 3 385.898 3.848 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1c(C)noc1C ZINC000185524267 880608771 /nfs/dbraw/zinc/60/87/71/880608771.db2.gz VPHJQFOLXHCIDP-GFCCVEGCSA-N -1 3 391.262 3.623 20 0 GHADHM CC(C)(C)OC(=O)NC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000855632546 880647401 /nfs/dbraw/zinc/64/74/01/880647401.db2.gz QVCCPZZEYGEHSJ-UHFFFAOYSA-N -1 3 394.487 3.808 20 0 GHADHM Cc1cc(Br)c(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)s1 ZINC000855805211 880769286 /nfs/dbraw/zinc/76/92/86/880769286.db2.gz FAKKBQIFUBBOAM-UHFFFAOYSA-N -1 3 384.299 3.676 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000186264066 880834683 /nfs/dbraw/zinc/83/46/83/880834683.db2.gz HWIOYBXOOPSZMO-HOCLYGCPSA-N -1 3 385.302 3.548 20 0 GHADHM Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1Br ZINC000186476365 880896560 /nfs/dbraw/zinc/89/65/60/880896560.db2.gz GVVLQZAXCXXQNC-UHFFFAOYSA-N -1 3 388.221 3.594 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792146250 880940041 /nfs/dbraw/zinc/94/00/41/880940041.db2.gz BUCVXPAWMPYVEN-HNNXBMFYSA-N -1 3 384.476 3.922 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792120463 880953018 /nfs/dbraw/zinc/95/30/18/880953018.db2.gz QQXVUQKZTZAKGO-UHFFFAOYSA-N -1 3 384.476 3.922 20 0 GHADHM CCOC(=O)c1sc([C@H]2CCN(Cc3cccc([O-])c3Cl)C2)nc1C ZINC001183560629 912629196 /nfs/dbraw/zinc/62/91/96/912629196.db2.gz DCBGQKGSVZQFAL-ZDUSSCGKSA-N -1 3 380.897 3.977 20 0 GHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2ccccc2C(C)C)[n-]c1-c1ccccc1 ZINC000186837846 881001475 /nfs/dbraw/zinc/00/14/75/881001475.db2.gz DMBOUXCXTBXUFZ-UHFFFAOYSA-N -1 3 397.500 3.921 20 0 GHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2C(C)C)nc1-c1ccccc1 ZINC000186837846 881001492 /nfs/dbraw/zinc/00/14/92/881001492.db2.gz DMBOUXCXTBXUFZ-UHFFFAOYSA-N -1 3 397.500 3.921 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc([O-])c1F)c1ccc(F)cc1 ZINC000792280667 881010521 /nfs/dbraw/zinc/01/05/21/881010521.db2.gz GQKSPPMFKCFWMN-AWEZNQCLSA-N -1 3 392.402 3.917 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000856260871 881074532 /nfs/dbraw/zinc/07/45/32/881074532.db2.gz XSWTZOICINRGSX-GFCCVEGCSA-N -1 3 395.425 3.840 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000792530708 881160639 /nfs/dbraw/zinc/16/06/39/881160639.db2.gz LGDITPLOXBPIBC-QWRGUYRKSA-N -1 3 393.336 3.551 20 0 GHADHM CN(C(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1)C1CCCCC1 ZINC000187408017 881181125 /nfs/dbraw/zinc/18/11/25/881181125.db2.gz PUPUIWODVHLDQB-UHFFFAOYSA-N -1 3 377.448 3.615 20 0 GHADHM CN1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2cc(F)ccc21 ZINC000119885266 881201764 /nfs/dbraw/zinc/20/17/64/881201764.db2.gz VOJZJQLUQCRZIX-UHFFFAOYSA-N -1 3 378.407 3.655 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(Br)c(F)c1 ZINC000323227912 881283910 /nfs/dbraw/zinc/28/39/10/881283910.db2.gz XFPZVGTZTBOLFO-UHFFFAOYSA-N -1 3 399.285 3.989 20 0 GHADHM CC(C)(Sc1ccc(Br)cc1)C(=O)NCc1ncccc1[O-] ZINC000792614666 881309050 /nfs/dbraw/zinc/30/90/50/881309050.db2.gz WXJRQLOQZAKUAI-UHFFFAOYSA-N -1 3 381.295 3.737 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1cccc([O-])c1 ZINC000183993597 883295224 /nfs/dbraw/zinc/29/52/24/883295224.db2.gz MNPHLDNDFVPCPH-JTQLQIEISA-N -1 3 398.362 3.996 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000135332371 883308028 /nfs/dbraw/zinc/30/80/28/883308028.db2.gz OQCVWLCFEJTKBA-UHFFFAOYSA-N -1 3 379.453 3.740 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1cc(F)ccc1Cl ZINC000314826556 883431610 /nfs/dbraw/zinc/43/16/10/883431610.db2.gz FCOOFPMXNAOAOT-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)no1 ZINC000551209611 883488041 /nfs/dbraw/zinc/48/80/41/883488041.db2.gz UXWBGKCLGAKPGK-AWEZNQCLSA-N -1 3 390.427 3.738 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000064478302 883502061 /nfs/dbraw/zinc/50/20/61/883502061.db2.gz WUAOOYCHKSMUMM-KBPBESRZSA-N -1 3 380.897 3.754 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000805110577 883584907 /nfs/dbraw/zinc/58/49/07/883584907.db2.gz ZKJHXHJXVYHSQD-NSHDSACASA-N -1 3 382.707 3.578 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000805120692 883592719 /nfs/dbraw/zinc/59/27/19/883592719.db2.gz CBFBTKYGKPWRMX-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(Cl)cc21)c1cnccc1C(F)(F)F ZINC000859404284 883797804 /nfs/dbraw/zinc/79/78/04/883797804.db2.gz LZWIAFIJAGENTG-ZDUSSCGKSA-N -1 3 376.787 3.720 20 0 GHADHM COc1ccc(CC[C@@](C)(NCc2csc(-c3ccccn3)n2)C(=O)[O-])cc1 ZINC000551420443 883845537 /nfs/dbraw/zinc/84/55/37/883845537.db2.gz BJPPYPXRJZSVBY-OAQYLSRUSA-N -1 3 397.500 3.779 20 0 GHADHM COc1ccc([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)c(Br)c1[O-] ZINC000666182236 883862209 /nfs/dbraw/zinc/86/22/09/883862209.db2.gz OJRTWDDFAVEWOY-MRXNPFEDSA-N -1 3 391.265 3.577 20 0 GHADHM C[C@@H](OC(=O)c1cnn[n-]1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000805607866 883965923 /nfs/dbraw/zinc/96/59/23/883965923.db2.gz SRLKCGQVBLXETP-GFCCVEGCSA-N -1 3 381.823 3.774 20 0 GHADHM C[C@@H](OC(=O)c1c[n-]nn1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000805607866 883965931 /nfs/dbraw/zinc/96/59/31/883965931.db2.gz SRLKCGQVBLXETP-GFCCVEGCSA-N -1 3 381.823 3.774 20 0 GHADHM C[C@H](OC(=O)c1cnn[n-]1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000805607867 883966130 /nfs/dbraw/zinc/96/61/30/883966130.db2.gz SRLKCGQVBLXETP-LBPRGKRZSA-N -1 3 381.823 3.774 20 0 GHADHM C[C@H](OC(=O)c1c[n-]nn1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000805607867 883966139 /nfs/dbraw/zinc/96/61/39/883966139.db2.gz SRLKCGQVBLXETP-LBPRGKRZSA-N -1 3 381.823 3.774 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(CN3CCCCC3=O)CC2)o1 ZINC000859788669 884063337 /nfs/dbraw/zinc/06/33/37/884063337.db2.gz SRCNXTXMYPHAGR-UHFFFAOYSA-N -1 3 396.487 3.869 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000024890709 884085765 /nfs/dbraw/zinc/08/57/65/884085765.db2.gz SJFYMFGVNXSWAA-UHFFFAOYSA-N -1 3 396.468 3.813 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H](C)CC ZINC000914612289 884344294 /nfs/dbraw/zinc/34/42/94/884344294.db2.gz ZXNGAFPQRUUZRB-CQSZACIVSA-N -1 3 386.533 3.943 20 0 GHADHM Cc1nc(NC(=O)CC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc(=O)[n-]1 ZINC001183792263 912820033 /nfs/dbraw/zinc/82/00/33/912820033.db2.gz HTVVCCAFPVWVHL-UHFFFAOYSA-N -1 3 395.381 3.586 20 0 GHADHM CC(C)(C)C(=O)N1CCC(COC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000860201961 884413977 /nfs/dbraw/zinc/41/39/77/884413977.db2.gz NMHFTFXHZPKOAL-UHFFFAOYSA-N -1 3 398.297 3.596 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000229172396 884526214 /nfs/dbraw/zinc/52/62/14/884526214.db2.gz FQKDZXWPQNTBPG-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn4cc(C)ccc4n3)nc(=O)c2c1C ZINC000860300519 884543876 /nfs/dbraw/zinc/54/38/76/884543876.db2.gz XLZUYTUMHBODCL-NSHDSACASA-N -1 3 382.445 3.888 20 0 GHADHM COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000860474820 884715575 /nfs/dbraw/zinc/71/55/75/884715575.db2.gz QGIUQDCGKJOBNF-KRWDZBQOSA-N -1 3 390.411 3.744 20 0 GHADHM C[C@H](OCCCNC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1 ZINC000919046309 884802297 /nfs/dbraw/zinc/80/22/97/884802297.db2.gz IMNGKMBTVMRHFB-LBPRGKRZSA-N -1 3 399.274 3.762 20 0 GHADHM CCCOc1ccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000919046816 884804211 /nfs/dbraw/zinc/80/42/11/884804211.db2.gz OBFZNVSOJGEOHP-UHFFFAOYSA-N -1 3 385.247 3.584 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1NC(=O)OC(C)(C)C ZINC000154890527 884896044 /nfs/dbraw/zinc/89/60/44/884896044.db2.gz YPYYKBNTEZFCEX-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1NC(=O)OC(C)(C)C ZINC000154890527 884896065 /nfs/dbraw/zinc/89/60/65/884896065.db2.gz YPYYKBNTEZFCEX-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000424266530 884985722 /nfs/dbraw/zinc/98/57/22/884985722.db2.gz WTNUIWYDMCATPI-HXUWFJFHSA-N -1 3 386.536 3.724 20 0 GHADHM COc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1OC1CCCC1 ZINC000747354375 884993020 /nfs/dbraw/zinc/99/30/20/884993020.db2.gz ABTOLSCSRDBKQO-UHFFFAOYSA-N -1 3 389.477 3.795 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)N1CCCCC1 ZINC000008181124 885032061 /nfs/dbraw/zinc/03/20/61/885032061.db2.gz LSPKFIHEJZWLSF-UHFFFAOYSA-N -1 3 396.871 3.906 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000053233387 885121808 /nfs/dbraw/zinc/12/18/08/885121808.db2.gz BTQCQMBJTIVRBZ-SFHVURJKSA-N -1 3 378.428 3.523 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000747366607 885163562 /nfs/dbraw/zinc/16/35/62/885163562.db2.gz XUBAYRBQQWKFBH-UHFFFAOYSA-N -1 3 390.465 3.669 20 0 GHADHM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000795852202 912910493 /nfs/dbraw/zinc/91/04/93/912910493.db2.gz JIBKQMUIFDOEAD-HNNXBMFYSA-N -1 3 393.814 3.545 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc21 ZINC001127331777 885226231 /nfs/dbraw/zinc/22/62/31/885226231.db2.gz SCVREHOXJDFBQP-JJRVBVJISA-N -1 3 387.480 3.765 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000107130777 885293092 /nfs/dbraw/zinc/29/30/92/885293092.db2.gz FRTOXGMVUUQELO-OAHLLOKOSA-N -1 3 391.471 3.961 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000861183737 885304883 /nfs/dbraw/zinc/30/48/83/885304883.db2.gz QEYDYFOQJXKHAY-HYVNUMGLSA-N -1 3 376.225 3.722 20 0 GHADHM CCc1c([N-]C(=O)c2nc(Br)ccc2F)onc1C(F)(F)F ZINC000807271521 885333762 /nfs/dbraw/zinc/33/37/62/885333762.db2.gz XPKQHXCTNXLVLZ-UHFFFAOYSA-N -1 3 382.111 3.805 20 0 GHADHM COc1ccc(-c2nc(COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)co2)cc1 ZINC000919329777 885349790 /nfs/dbraw/zinc/34/97/90/885349790.db2.gz UPFHPYKRRMZXCA-UHFFFAOYSA-N -1 3 379.372 3.999 20 0 GHADHM COc1ccc(-c2nc(COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)co2)cc1 ZINC000919329777 885349812 /nfs/dbraw/zinc/34/98/12/885349812.db2.gz UPFHPYKRRMZXCA-UHFFFAOYSA-N -1 3 379.372 3.999 20 0 GHADHM O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cc([O-])ccc1Cl ZINC000556545853 885362227 /nfs/dbraw/zinc/36/22/27/885362227.db2.gz WYHJHITZZQQTCK-NSHDSACASA-N -1 3 398.768 3.600 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104366596 885381112 /nfs/dbraw/zinc/38/11/12/885381112.db2.gz LZRCVNGXVPKJQG-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104366596 885381128 /nfs/dbraw/zinc/38/11/28/885381128.db2.gz LZRCVNGXVPKJQG-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM CCC1(CC)CCc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000648511725 885406159 /nfs/dbraw/zinc/40/61/59/885406159.db2.gz SNCURAICDRMRFQ-UHFFFAOYSA-N -1 3 382.507 3.687 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)s1 ZINC000046067431 885481656 /nfs/dbraw/zinc/48/16/56/885481656.db2.gz QINNDMJUSZVSDS-UHFFFAOYSA-N -1 3 382.489 3.969 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC[C@H]3CCCO3)cc2)cc1 ZINC000046304269 885539650 /nfs/dbraw/zinc/53/96/50/885539650.db2.gz FAHPLZZTYUZAOO-GOSISDBHSA-N -1 3 388.489 3.694 20 0 GHADHM CCCCN1C(=O)CC[C@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccccc1OC ZINC000476410026 885621801 /nfs/dbraw/zinc/62/18/01/885621801.db2.gz OUNKIZOELJZBPK-OXJNMPFZSA-N -1 3 397.475 3.514 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000476411244 885660055 /nfs/dbraw/zinc/66/00/55/885660055.db2.gz YVFHNSFBJJXBOO-UHFFFAOYSA-N -1 3 390.848 3.769 20 0 GHADHM CN1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131224593 885682011 /nfs/dbraw/zinc/68/20/11/885682011.db2.gz JITGDPXIDBFOLS-AEFFLSMTSA-N -1 3 395.837 3.568 20 0 GHADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1nnc2ccccc2c1[O-] ZINC000807801009 885769782 /nfs/dbraw/zinc/76/97/82/885769782.db2.gz OATOMOGXPBEGMX-UHFFFAOYSA-N -1 3 383.276 3.562 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccc(Br)cc2)o1 ZINC000536897665 886048881 /nfs/dbraw/zinc/04/88/81/886048881.db2.gz WBFUYNKAJXYZNR-NSHDSACASA-N -1 3 390.324 3.810 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccc(Br)cc2)o1 ZINC000536897652 886049373 /nfs/dbraw/zinc/04/93/73/886049373.db2.gz WBFUYNKAJXYZNR-LLVKDONJSA-N -1 3 390.324 3.810 20 0 GHADHM COc1cc(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000476489143 886062934 /nfs/dbraw/zinc/06/29/34/886062934.db2.gz VSTPIPIYCXPKNL-UHFFFAOYSA-N -1 3 399.365 3.973 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000118435631 886192919 /nfs/dbraw/zinc/19/29/19/886192919.db2.gz LIKPTTGBVZTZBU-OAHLLOKOSA-N -1 3 375.343 3.610 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000808340769 886244496 /nfs/dbraw/zinc/24/44/96/886244496.db2.gz SBRHUTLGHVDJGL-BMIGLBTASA-N -1 3 393.814 3.759 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000808339530 886275256 /nfs/dbraw/zinc/27/52/56/886275256.db2.gz UPAGSBJCIXPVLH-BONVTDFDSA-N -1 3 393.814 3.759 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@H]23)c1Cl ZINC000762528138 886343949 /nfs/dbraw/zinc/34/39/49/886343949.db2.gz OPEJCTHRQWADBE-NTZNESFSSA-N -1 3 398.402 3.960 20 0 GHADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000118974249 886418567 /nfs/dbraw/zinc/41/85/67/886418567.db2.gz MMTYGRKTUQJGEA-OAHLLOKOSA-N -1 3 381.432 3.681 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000057123635 886472367 /nfs/dbraw/zinc/47/23/67/886472367.db2.gz PCOZDVGUVYMVAG-CQSZACIVSA-N -1 3 388.489 3.940 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(I)c2C)c1[O-] ZINC000556893718 886523563 /nfs/dbraw/zinc/52/35/63/886523563.db2.gz ZDXGWOVQCKYDKE-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000862676970 886526801 /nfs/dbraw/zinc/52/68/01/886526801.db2.gz LHKBVJAGMCRZFS-HNNXBMFYSA-N -1 3 380.872 3.708 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000762633289 886572403 /nfs/dbraw/zinc/57/24/03/886572403.db2.gz UGAGHIMDWQHKNH-ABAIWWIYSA-N -1 3 391.386 3.635 20 0 GHADHM CCOCCC1(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)CCCC1 ZINC000132169467 886715209 /nfs/dbraw/zinc/71/52/09/886715209.db2.gz YNTKJWHSJPJUPT-UHFFFAOYSA-N -1 3 383.492 3.925 20 0 GHADHM CCOCCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1CCc2ccccc21 ZINC000863001872 886804866 /nfs/dbraw/zinc/80/48/66/886804866.db2.gz GPMGMCZBLPDZAH-LJQANCHMSA-N -1 3 377.444 3.502 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]1 ZINC000863299046 887011428 /nfs/dbraw/zinc/01/14/28/887011428.db2.gz TYWFOIMGSPNMPV-KRWDZBQOSA-N -1 3 384.867 3.670 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Br ZINC000315683017 887061728 /nfs/dbraw/zinc/06/17/28/887061728.db2.gz HYDUWHCPWOODSV-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=C(COC(=O)C1(c2ccc(F)cc2)CCCCC1)[N-]C(=O)c1cccs1 ZINC000064217800 887079984 /nfs/dbraw/zinc/07/99/84/887079984.db2.gz MJKCJYKMTADCMT-UHFFFAOYSA-N -1 3 389.448 3.589 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1C ZINC000863409104 887092185 /nfs/dbraw/zinc/09/21/85/887092185.db2.gz XAFMQWZSZNBECR-UHFFFAOYSA-N -1 3 378.450 3.600 20 0 GHADHM Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc([O-])c1Br ZINC000459294479 887114522 /nfs/dbraw/zinc/11/45/22/887114522.db2.gz PIRHSJYGNBFEID-UHFFFAOYSA-N -1 3 377.282 3.842 20 0 GHADHM O=C(Nc1ccc(F)c(Br)c1F)c1c[n-]c2ccccc2c1=O ZINC001131591360 887134833 /nfs/dbraw/zinc/13/48/33/887134833.db2.gz ONQRGZRDXXFVKN-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM COc1ccc([C@H]2CCN(CCOc3ccc(/C=C\C(=O)[O-])cc3)C2)cc1F ZINC000863476473 887141017 /nfs/dbraw/zinc/14/10/17/887141017.db2.gz FVYVFNZNJWSKSR-ASMLLPBJSA-N -1 3 385.435 3.800 20 0 GHADHM CSc1nc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)n[n-]1 ZINC000266061755 887378496 /nfs/dbraw/zinc/37/84/96/887378496.db2.gz CJFGYFXDIIFNBF-UHFFFAOYSA-N -1 3 381.889 3.807 20 0 GHADHM O=C(C[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2)Nc1cc(Br)ccc1[O-] ZINC001184291890 913141619 /nfs/dbraw/zinc/14/16/19/913141619.db2.gz XKBXPYSWRQRAHA-HVUCWBCSSA-N -1 3 380.282 3.815 20 0 GHADHM COc1cc(C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)cc(OC)c1[O-] ZINC000130639677 887459387 /nfs/dbraw/zinc/45/93/87/887459387.db2.gz WIDDZJPZTCKGQT-HXUWFJFHSA-N -1 3 378.428 3.632 20 0 GHADHM O=c1cc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)nc(C2CC2)[n-]1 ZINC000459343920 887523743 /nfs/dbraw/zinc/52/37/43/887523743.db2.gz UBFSVVHBBRUUPW-QGZVFWFLSA-N -1 3 377.448 3.837 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c1 ZINC000532670934 887530761 /nfs/dbraw/zinc/53/07/61/887530761.db2.gz CVPYLWUSIHLTCW-INIZCTEOSA-N -1 3 384.476 3.689 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000666698381 887612181 /nfs/dbraw/zinc/61/21/81/887612181.db2.gz LJWCLQHSIQVZTA-UHFFFAOYSA-N -1 3 398.315 3.778 20 0 GHADHM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000794607794 887674144 /nfs/dbraw/zinc/67/41/44/887674144.db2.gz LODIJXKCDGYYCM-UHFFFAOYSA-N -1 3 375.494 3.578 20 0 GHADHM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000532681088 887700174 /nfs/dbraw/zinc/70/01/74/887700174.db2.gz HEPIOCZZDONLBC-YCRPNKLZSA-N -1 3 385.485 3.969 20 0 GHADHM Cc1ccc(C[C@H](NCc2nccc(C)c2Br)C(=O)[O-])cc1C ZINC000864516667 887820283 /nfs/dbraw/zinc/82/02/83/887820283.db2.gz OXDTXIRQJVNHKE-HNNXBMFYSA-N -1 3 377.282 3.555 20 0 GHADHM CC(C)OC[C@H](NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C)C(=O)[O-] ZINC000864517624 887822155 /nfs/dbraw/zinc/82/21/55/887822155.db2.gz IOQSONYRDPTVQJ-INIZCTEOSA-N -1 3 393.915 3.791 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000614841753 887924684 /nfs/dbraw/zinc/92/46/84/887924684.db2.gz GTAVJIWAULKRHB-GOEBONIOSA-N -1 3 389.477 3.716 20 0 GHADHM COc1ccc(CCC2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)cc1 ZINC000055159759 888097594 /nfs/dbraw/zinc/09/75/94/888097594.db2.gz XBTVYCXJSMEEDW-UHFFFAOYSA-N -1 3 396.487 3.844 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1)C(F)(F)F ZINC000810065910 888151876 /nfs/dbraw/zinc/15/18/76/888151876.db2.gz FMBZBTJXGUBGDS-NSHDSACASA-N -1 3 399.240 3.763 20 0 GHADHM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000055596947 888211013 /nfs/dbraw/zinc/21/10/13/888211013.db2.gz OUHBZMVPYZWGOL-UHFFFAOYSA-N -1 3 390.505 3.532 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1)C(F)(F)F ZINC000810202186 888287590 /nfs/dbraw/zinc/28/75/90/888287590.db2.gz UADMLIZTFLPBGN-CYBMUJFWSA-N -1 3 394.397 3.604 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c(C)c1 ZINC000032630325 888526690 /nfs/dbraw/zinc/52/66/90/888526690.db2.gz LKOREIDNMDNFMO-UHFFFAOYSA-N -1 3 380.897 3.768 20 0 GHADHM Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)o1 ZINC000194044269 888549560 /nfs/dbraw/zinc/54/95/60/888549560.db2.gz HZPUAYBABALWLL-SFHVURJKSA-N -1 3 391.427 3.599 20 0 GHADHM CCc1ccc(-c2cc(C(=O)[N-]c3cc(C(=O)OC)cnc3Cl)no2)cc1 ZINC001132297293 888562494 /nfs/dbraw/zinc/56/24/94/888562494.db2.gz HRILJTRERUKDEY-UHFFFAOYSA-N -1 3 385.807 3.991 20 0 GHADHM COc1cccc([C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])C2(C)C)c1 ZINC000915937638 888578572 /nfs/dbraw/zinc/57/85/72/888578572.db2.gz ACJAPSZJLAVSIM-IBGZPJMESA-N -1 3 382.460 3.768 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1Cc1ccccc1 ZINC000195488858 888670357 /nfs/dbraw/zinc/67/03/57/888670357.db2.gz DRNXSNKUVVDTRH-UHFFFAOYSA-N -1 3 399.454 3.551 20 0 GHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCCc1ccccc1 ZINC000810825429 888911852 /nfs/dbraw/zinc/91/18/52/888911852.db2.gz FCWNTVUCFFUXRA-LLVKDONJSA-N -1 3 376.865 3.787 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCCCCCF)cc(C(F)(F)F)c1 ZINC000810910969 888978912 /nfs/dbraw/zinc/97/89/12/888978912.db2.gz HMYABNXDRXKDKL-UHFFFAOYSA-N -1 3 385.379 3.764 20 0 GHADHM Cc1cccc([C@H](NCc2nc3c(c(=O)[n-]2)COCC3)c2cccc(F)c2)c1 ZINC000866628662 888980452 /nfs/dbraw/zinc/98/04/52/888980452.db2.gz LRANMLAWAFJXKR-NRFANRHFSA-N -1 3 379.435 3.582 20 0 GHADHM O=c1[n-]c(CN[C@@H]2CCCSc3ccc(Cl)cc32)nc2c1COCC2 ZINC000866630243 888984278 /nfs/dbraw/zinc/98/42/78/888984278.db2.gz ZXUKYRPBNNSFJN-CQSZACIVSA-N -1 3 377.897 3.625 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Br)c(Cl)c1 ZINC000866630932 888984992 /nfs/dbraw/zinc/98/49/92/888984992.db2.gz ZMDUVSPOWAIMGQ-SECBINFHSA-N -1 3 398.688 3.522 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810906352 889013422 /nfs/dbraw/zinc/01/34/22/889013422.db2.gz SCRJEOJKZOZIRK-PMPSAXMXSA-N -1 3 396.453 3.893 20 0 GHADHM O=C(OC1CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000916552594 889115448 /nfs/dbraw/zinc/11/54/48/889115448.db2.gz VYEGYFNYEDXMEO-UHFFFAOYSA-N -1 3 378.277 3.534 20 0 GHADHM Cc1ccc(Oc2ccccc2CC(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC001132573439 889123655 /nfs/dbraw/zinc/12/36/55/889123655.db2.gz TVMQEXJAIBZBHR-UHFFFAOYSA-N -1 3 375.428 3.805 20 0 GHADHM O=c1[n-]c(SC[C@H]2C[C@]23CCOC3)nc2c1cnn2-c1cccc(Cl)c1 ZINC000916563032 889129163 /nfs/dbraw/zinc/12/91/63/889129163.db2.gz OEJXIQWTBIBKEL-ZMZPIMSZSA-N -1 3 388.880 3.693 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000123730657 889380360 /nfs/dbraw/zinc/38/03/60/889380360.db2.gz RTAVDIBWIYKQBL-CQSZACIVSA-N -1 3 393.406 3.650 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)NCCCc1ccccc1 ZINC000811394518 889535704 /nfs/dbraw/zinc/53/57/04/889535704.db2.gz UBBOECCTVUIVAA-UHFFFAOYSA-N -1 3 376.865 3.789 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000064373963 889921170 /nfs/dbraw/zinc/92/11/70/889921170.db2.gz SMXXEOCIKWEZLR-ZDUSSCGKSA-N -1 3 396.534 3.681 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@@H]1CCSC1 ZINC000869600693 890004224 /nfs/dbraw/zinc/00/42/24/890004224.db2.gz NQAPVNARAXXSBN-OXQOHEQNSA-N -1 3 398.528 3.513 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000811838223 890023701 /nfs/dbraw/zinc/02/37/01/890023701.db2.gz ABGJKDIUXVDMGW-FMIVXFBMSA-N -1 3 395.477 3.925 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(Cc3ccccc3)CC(C)C)nc(=O)c2c1C ZINC000533254154 890101607 /nfs/dbraw/zinc/10/16/07/890101607.db2.gz MAXYFKPIZCAMCS-UHFFFAOYSA-N -1 3 399.516 3.738 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(C)cc2Br)n1 ZINC000125772496 890137376 /nfs/dbraw/zinc/13/73/76/890137376.db2.gz QEIFQSVMGVEQTM-UHFFFAOYSA-N -1 3 396.310 3.687 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(Cl)c(F)c3)nc21 ZINC001127418808 890215267 /nfs/dbraw/zinc/21/52/67/890215267.db2.gz LRZGRCZIYQWEGK-UHFFFAOYSA-N -1 3 375.787 3.713 20 0 GHADHM CN(CCOc1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126218249 890432107 /nfs/dbraw/zinc/43/21/07/890432107.db2.gz QQZZISHGHUPJMO-UHFFFAOYSA-N -1 3 397.244 3.514 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)CCc1ccco1 ZINC001184820216 913460596 /nfs/dbraw/zinc/46/05/96/913460596.db2.gz BLPOYDYHWYJEAQ-JTQLQIEISA-N -1 3 378.313 3.712 20 0 GHADHM Cc1ccc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC000812351414 890554696 /nfs/dbraw/zinc/55/46/96/890554696.db2.gz LLDXSYJRMKEYQA-KRWDZBQOSA-N -1 3 388.508 3.810 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc2o1 ZINC000065789325 890652559 /nfs/dbraw/zinc/65/25/59/890652559.db2.gz KYXFMEKAKQYZNG-UHFFFAOYSA-N -1 3 378.388 3.653 20 0 GHADHM CC(=O)CC(C)(C)CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316827 890751521 /nfs/dbraw/zinc/75/15/21/890751521.db2.gz ZBAULWOAAQJXRF-AWEZNQCLSA-N -1 3 398.425 3.581 20 0 GHADHM CC(C)CCn1nc(CNC(=O)NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000455389467 890872846 /nfs/dbraw/zinc/87/28/46/890872846.db2.gz RSZORAQHNLWNOB-UHFFFAOYSA-N -1 3 384.455 3.927 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3C[C@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000871880233 891070103 /nfs/dbraw/zinc/07/01/03/891070103.db2.gz PRCLFOBMUIOVOV-HBUWYVDXSA-N -1 3 390.505 3.710 20 0 GHADHM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000533690514 891130726 /nfs/dbraw/zinc/13/07/26/891130726.db2.gz ZUFZIGPUCQUXTF-UHFFFAOYSA-N -1 3 379.503 3.759 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c(C)n1 ZINC000127613497 891165807 /nfs/dbraw/zinc/16/58/07/891165807.db2.gz AILYSWSIGLYJDP-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCOc1ccc(OCCN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)cc1 ZINC000872165309 891190797 /nfs/dbraw/zinc/19/07/97/891190797.db2.gz SBRDRFVVXJUNFG-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM CC(C)NC(=O)c1cc(Br)cnc1Nc1ccc([O-])c(F)c1F ZINC001212003240 891278916 /nfs/dbraw/zinc/27/89/16/891278916.db2.gz UQMRJEMOQZVHEU-UHFFFAOYSA-N -1 3 386.196 3.710 20 0 GHADHM CCOc1ccccc1NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825653624 891468428 /nfs/dbraw/zinc/46/84/28/891468428.db2.gz GRPSKDALOLVXEH-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccccc1NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825653624 891468436 /nfs/dbraw/zinc/46/84/36/891468436.db2.gz GRPSKDALOLVXEH-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000128217458 891486489 /nfs/dbraw/zinc/48/64/89/891486489.db2.gz HXIPTNNQZKUMGS-UHFFFAOYSA-N -1 3 392.843 3.805 20 0 GHADHM CC[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)OCCc2ccccc21 ZINC001212065050 891489219 /nfs/dbraw/zinc/48/92/19/891489219.db2.gz VPAMAONSSKKKFE-GOSISDBHSA-N -1 3 383.872 3.636 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1cccc(Cl)c1 ZINC001212067618 891504673 /nfs/dbraw/zinc/50/46/73/891504673.db2.gz ULICGRRBEUPLAM-ZDUSSCGKSA-N -1 3 375.824 3.593 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c(C)c1 ZINC000614883303 891534475 /nfs/dbraw/zinc/53/44/75/891534475.db2.gz MRXVNOYYAVCXGT-UHFFFAOYSA-N -1 3 379.478 3.910 20 0 GHADHM CCc1nc([C@@H]2CCCCN2Cc2cc(=O)oc3cc([O-])c(CC)cc23)no1 ZINC000917184405 891541875 /nfs/dbraw/zinc/54/18/75/891541875.db2.gz NABMQGBQRMIILB-INIZCTEOSA-N -1 3 383.448 3.734 20 0 GHADHM Cc1cc(Cl)ccc1O[C@H](C(=O)NCCCc1cc(=O)[nH][n-]1)c1ccccc1 ZINC000614921570 891598085 /nfs/dbraw/zinc/59/80/85/891598085.db2.gz RSHHFTSFAIFQNK-FQEVSTJZSA-N -1 3 399.878 3.541 20 0 GHADHM Cc1nc(C)c(CCC(=O)N=S(=O)(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC001133802686 891695812 /nfs/dbraw/zinc/69/58/12/891695812.db2.gz YPBNXHHORMAETA-UHFFFAOYSA-N -1 3 395.484 3.844 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3cc(C)ccc3Br)c(=O)c2c1C ZINC000124874224 892024554 /nfs/dbraw/zinc/02/45/54/892024554.db2.gz MEUZHZAILUCHHK-UHFFFAOYSA-N -1 3 392.278 3.530 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)[n-]1 ZINC000813890197 892073769 /nfs/dbraw/zinc/07/37/69/892073769.db2.gz BHQDKUQLCLNJDE-UHFFFAOYSA-N -1 3 398.419 3.543 20 0 GHADHM CCc1cnccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825734268 892120419 /nfs/dbraw/zinc/12/04/19/892120419.db2.gz KYYFGTKORMDPKY-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM O=C(c1cccc(Cl)c1[O-])N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001272106641 892135912 /nfs/dbraw/zinc/13/59/12/892135912.db2.gz XSGMBZNPBNQFSO-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)Nc1cc(I)ccc1[O-] ZINC001185097456 913636382 /nfs/dbraw/zinc/63/63/82/913636382.db2.gz FNMKJAFNWAAVEJ-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000263090389 892429200 /nfs/dbraw/zinc/42/92/00/892429200.db2.gz AFOWCZKLXIGBJT-AAEUAGOBSA-N -1 3 379.254 3.647 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F ZINC000917747805 892500517 /nfs/dbraw/zinc/50/05/17/892500517.db2.gz WLXRZCRSXRIIHE-KBPBESRZSA-N -1 3 396.459 3.688 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C[C@H]1C ZINC000421679625 892578173 /nfs/dbraw/zinc/57/81/73/892578173.db2.gz MKBRRZGABMAEDH-OPRDCNLKSA-N -1 3 382.224 3.641 20 0 GHADHM CCCc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)cc1 ZINC000421679963 892580070 /nfs/dbraw/zinc/58/00/70/892580070.db2.gz ALKHYOWLEXDYKQ-UHFFFAOYSA-N -1 3 390.203 3.835 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000875391419 892588073 /nfs/dbraw/zinc/58/80/73/892588073.db2.gz QAZIACYTINYDNJ-HNNXBMFYSA-N -1 3 397.313 3.788 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(-c4ccccn4)c3C)nc21 ZINC000162514791 892641731 /nfs/dbraw/zinc/64/17/31/892641731.db2.gz NGCUQPVPKSXPRJ-UHFFFAOYSA-N -1 3 386.411 3.972 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c(=O)[n-]1 ZINC000068807454 892786741 /nfs/dbraw/zinc/78/67/41/892786741.db2.gz PPHMJJKGKUSOQL-LIRRHRJNSA-N -1 3 383.492 3.663 20 0 GHADHM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc([O-])c1F ZINC000129022971 892890769 /nfs/dbraw/zinc/89/07/69/892890769.db2.gz GKUFXQFFRFWTQE-JRUMVTRASA-N -1 3 388.483 3.827 20 0 GHADHM CN(C(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825833944 892894227 /nfs/dbraw/zinc/89/42/27/892894227.db2.gz OWFLOUGTJIFDDS-UHFFFAOYSA-N -1 3 386.456 3.568 20 0 GHADHM CN(C(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825833944 892894239 /nfs/dbraw/zinc/89/42/39/892894239.db2.gz OWFLOUGTJIFDDS-UHFFFAOYSA-N -1 3 386.456 3.568 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000129069763 892980123 /nfs/dbraw/zinc/98/01/23/892980123.db2.gz ZHFJSOJMQMTNEF-UHFFFAOYSA-N -1 3 380.354 3.899 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c(Cl)c1Cl ZINC000498021974 892986598 /nfs/dbraw/zinc/98/65/98/892986598.db2.gz IJMAXHDSAUDXQZ-UHFFFAOYSA-N -1 3 399.259 3.588 20 0 GHADHM O=C(Nc1ccc(NC2CCOCC2)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000508729151 893010611 /nfs/dbraw/zinc/01/06/11/893010611.db2.gz DCGLCLZVINQJQC-UHFFFAOYSA-N -1 3 399.397 3.650 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1c(C)noc1C ZINC000533801516 893018586 /nfs/dbraw/zinc/01/85/86/893018586.db2.gz HEQJEYPKVRUDGW-LLVKDONJSA-N -1 3 393.328 3.853 20 0 GHADHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000562921645 893158229 /nfs/dbraw/zinc/15/82/29/893158229.db2.gz WMHGFLLRCMQRDI-UHFFFAOYSA-N -1 3 385.383 3.653 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCc3c[nH]c4ccccc34)nc21 ZINC001134751448 893269199 /nfs/dbraw/zinc/26/91/99/893269199.db2.gz PXXFQVJRHWOSID-UHFFFAOYSA-N -1 3 376.416 3.792 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)OCc3cccc(C)c3)nc21 ZINC001134753187 893289019 /nfs/dbraw/zinc/28/90/19/893289019.db2.gz GDYUAFZLNOQNED-CQSZACIVSA-N -1 3 381.432 3.592 20 0 GHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000933987453 893340283 /nfs/dbraw/zinc/34/02/83/893340283.db2.gz PZJWXCGHXYLTMO-ZFWWWQNUSA-N -1 3 382.410 3.900 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c(C)c1Cl ZINC000815074394 893418689 /nfs/dbraw/zinc/41/86/89/893418689.db2.gz RJEZFWMANJOWKC-STQMWFEESA-N -1 3 399.921 3.579 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2)cc1C ZINC000187479594 893441749 /nfs/dbraw/zinc/44/17/49/893441749.db2.gz NBTMZTTVRSUZEF-QGZVFWFLSA-N -1 3 388.427 3.541 20 0 GHADHM CCc1nc(C(C)C)ccc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000815200724 893551988 /nfs/dbraw/zinc/55/19/88/893551988.db2.gz LCFANZKENUZKPM-UHFFFAOYSA-N -1 3 394.468 3.635 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCCc3cc(F)ccc3F)nc21 ZINC001134940354 893645328 /nfs/dbraw/zinc/64/53/28/893645328.db2.gz CNMNBLDBOYGONJ-UHFFFAOYSA-N -1 3 387.386 3.979 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc21 ZINC001134937834 893645363 /nfs/dbraw/zinc/64/53/63/893645363.db2.gz XNWKAXBYVAOXGV-UHFFFAOYSA-N -1 3 385.395 3.675 20 0 GHADHM C[C@H](CCO)N(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000536741974 893675333 /nfs/dbraw/zinc/67/53/33/893675333.db2.gz LARPKZZJSNERQY-OAHLLOKOSA-N -1 3 377.444 3.855 20 0 GHADHM CCC(C)(C)c1cc(NCc2cccc([O-])c2Br)n(CCO)n1 ZINC000459533265 893751141 /nfs/dbraw/zinc/75/11/41/893751141.db2.gz SGZGOPTYNMNRFP-UHFFFAOYSA-N -1 3 382.302 3.643 20 0 GHADHM COc1cccc(CN(Cc2nnc(-c3ccccc3[O-])o2)C[C@@H]2CCCO2)c1 ZINC000877994885 893935460 /nfs/dbraw/zinc/93/54/60/893935460.db2.gz OKTBFJGVRMMQSF-SFHVURJKSA-N -1 3 395.459 3.632 20 0 GHADHM Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)ccc1Br ZINC000022474968 893978618 /nfs/dbraw/zinc/97/86/18/893978618.db2.gz PETMMEDRPQSJKV-LLVKDONJSA-N -1 3 378.222 3.647 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc([O-])cc3)ccc2c1 ZINC000022475470 893978746 /nfs/dbraw/zinc/97/87/46/893978746.db2.gz YDYZNUVOVXVLRI-OAHLLOKOSA-N -1 3 393.439 3.758 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000536883117 894013658 /nfs/dbraw/zinc/01/36/58/894013658.db2.gz OUZQWAXGFOROBS-NSHDSACASA-N -1 3 393.270 3.575 20 0 GHADHM COC(=O)[C@]1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CC[C@@H](C)c2ccccc21 ZINC001135173405 894155891 /nfs/dbraw/zinc/15/58/91/894155891.db2.gz FHINXAQIWASOCS-XCLFUZPHSA-N -1 3 391.389 4.000 20 0 GHADHM COc1ccccc1COC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878338001 894203555 /nfs/dbraw/zinc/20/35/55/894203555.db2.gz LJIWKMRPKANJKA-UHFFFAOYSA-N -1 3 395.459 3.632 20 0 GHADHM CC1(C)C[C@H](N(Cc2ccccc2)Cc2nc3c(c(=O)[n-]2)COCC3)C(C)(C)O1 ZINC000878382730 894247386 /nfs/dbraw/zinc/24/73/86/894247386.db2.gz UDENKPNYFVULKU-IBGZPJMESA-N -1 3 397.519 3.603 20 0 GHADHM COC(=O)[C@H](C)Sc1ccccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537121712 894343309 /nfs/dbraw/zinc/34/33/09/894343309.db2.gz JGMCVZPOCJMLPT-AWEZNQCLSA-N -1 3 395.484 3.713 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564224461 894739595 /nfs/dbraw/zinc/73/95/95/894739595.db2.gz VJZSOPNGIODMQR-AWEZNQCLSA-N -1 3 394.475 3.635 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C)CCCCCC2)cc1OC ZINC000537331086 894783436 /nfs/dbraw/zinc/78/34/36/894783436.db2.gz QWFKNROLFKDIRO-UHFFFAOYSA-N -1 3 397.541 3.939 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(Br)sc2C2CC2)c1[O-] ZINC000816620746 894980392 /nfs/dbraw/zinc/98/03/92/894980392.db2.gz JRDZRTUMEGPHMZ-UHFFFAOYSA-N -1 3 381.251 3.944 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(C(F)(F)F)nc1Cl ZINC000816761376 895054281 /nfs/dbraw/zinc/05/42/81/895054281.db2.gz ARYPSWVZQYTQJY-SSDOTTSWSA-N -1 3 388.729 3.679 20 0 GHADHM COCCC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826154970 895656835 /nfs/dbraw/zinc/65/68/35/895656835.db2.gz BKBVNQSLEMPWAE-JKSUJKDBSA-N -1 3 393.491 3.774 20 0 GHADHM COCCC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826154970 895656841 /nfs/dbraw/zinc/65/68/41/895656841.db2.gz BKBVNQSLEMPWAE-JKSUJKDBSA-N -1 3 393.491 3.774 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000826161891 895687150 /nfs/dbraw/zinc/68/71/50/895687150.db2.gz DFNAKMOIBAENFD-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000826161891 895687157 /nfs/dbraw/zinc/68/71/57/895687157.db2.gz DFNAKMOIBAENFD-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COCc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826164348 895726377 /nfs/dbraw/zinc/72/63/77/895726377.db2.gz SROINPUHZJPQLQ-UHFFFAOYSA-N -1 3 399.454 3.610 20 0 GHADHM COCc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826164348 895726388 /nfs/dbraw/zinc/72/63/88/895726388.db2.gz SROINPUHZJPQLQ-UHFFFAOYSA-N -1 3 399.454 3.610 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826171445 895752858 /nfs/dbraw/zinc/75/28/58/895752858.db2.gz NZVSNZWWOKHYRN-UHFFFAOYSA-N -1 3 398.385 3.677 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826171445 895752868 /nfs/dbraw/zinc/75/28/68/895752868.db2.gz NZVSNZWWOKHYRN-UHFFFAOYSA-N -1 3 398.385 3.677 20 0 GHADHM Cc1cc(CN(C)C(=O)c2ccc(N)cc2[O-])cc(C)c1OCC(F)(F)F ZINC000817923862 895962724 /nfs/dbraw/zinc/96/27/24/895962724.db2.gz BHXBBAQBJITBIP-UHFFFAOYSA-N -1 3 382.382 3.805 20 0 GHADHM CC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC001136073121 895976635 /nfs/dbraw/zinc/97/66/35/895976635.db2.gz SRDWDVYFTMWOOU-HNNXBMFYSA-N -1 3 386.253 3.762 20 0 GHADHM CC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC001136073121 895976644 /nfs/dbraw/zinc/97/66/44/895976644.db2.gz SRDWDVYFTMWOOU-HNNXBMFYSA-N -1 3 386.253 3.762 20 0 GHADHM Nc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c([O-])c1 ZINC000817997420 895982801 /nfs/dbraw/zinc/98/28/01/895982801.db2.gz PCFFDAMRLKXTJM-UHFFFAOYSA-N -1 3 394.302 3.676 20 0 GHADHM Cc1cccc(-c2nsc(NCc3c(F)cccc3[N-]S(C)(=O)=O)n2)c1 ZINC001185692228 914022571 /nfs/dbraw/zinc/02/25/71/914022571.db2.gz FFSVQDYLAFUPDC-UHFFFAOYSA-N -1 3 392.481 3.636 20 0 GHADHM CCCO[C@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000566813886 896593431 /nfs/dbraw/zinc/59/34/31/896593431.db2.gz JSEZEGMWWZLUAP-SFHVURJKSA-N -1 3 384.480 3.971 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2cccc(F)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826238389 896593731 /nfs/dbraw/zinc/59/37/31/896593731.db2.gz FHTMPPJVBHRYOH-KRWDZBQOSA-N -1 3 395.829 3.959 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2cccc(F)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826238389 896593743 /nfs/dbraw/zinc/59/37/43/896593743.db2.gz FHTMPPJVBHRYOH-KRWDZBQOSA-N -1 3 395.829 3.959 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000826250080 896684068 /nfs/dbraw/zinc/68/40/68/896684068.db2.gz JTLHCHPKPXFPBE-UHFFFAOYSA-N -1 3 393.394 3.924 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000826250080 896684078 /nfs/dbraw/zinc/68/40/78/896684078.db2.gz JTLHCHPKPXFPBE-UHFFFAOYSA-N -1 3 393.394 3.924 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000826272244 896824387 /nfs/dbraw/zinc/82/43/87/896824387.db2.gz ZYTLTTCCMYRXCK-OCCSQVGLSA-N -1 3 378.436 3.737 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000826271658 896826122 /nfs/dbraw/zinc/82/61/22/896826122.db2.gz AWTUYIKWVGSCOY-ZBFHGGJFSA-N -1 3 393.447 3.721 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000826271658 896826132 /nfs/dbraw/zinc/82/61/32/896826132.db2.gz AWTUYIKWVGSCOY-ZBFHGGJFSA-N -1 3 393.447 3.721 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)nc12 ZINC000826289170 896942151 /nfs/dbraw/zinc/94/21/51/896942151.db2.gz NGDKNXOBQQQWEX-UHFFFAOYSA-N -1 3 378.823 3.558 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)nc12 ZINC000826289170 896942155 /nfs/dbraw/zinc/94/21/55/896942155.db2.gz NGDKNXOBQQQWEX-UHFFFAOYSA-N -1 3 378.823 3.558 20 0 GHADHM CC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185837324 914114659 /nfs/dbraw/zinc/11/46/59/914114659.db2.gz WRDFLFMVRIMWNM-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)c3ccccc32)ccc1F ZINC000041968610 896990693 /nfs/dbraw/zinc/99/06/93/896990693.db2.gz HAAARFBPRUXLON-AWEZNQCLSA-N -1 3 390.480 3.666 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826291253 896991429 /nfs/dbraw/zinc/99/14/29/896991429.db2.gz WQBACSSPHXPXCZ-UHFFFAOYSA-N -1 3 394.826 3.658 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000826291253 896991444 /nfs/dbraw/zinc/99/14/44/896991444.db2.gz WQBACSSPHXPXCZ-UHFFFAOYSA-N -1 3 394.826 3.658 20 0 GHADHM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC001136271236 896998414 /nfs/dbraw/zinc/99/84/14/896998414.db2.gz RHGNLPROCKVOIJ-SFHVURJKSA-N -1 3 394.381 3.786 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1ccccc1-c1nnn[n-]1 ZINC000819933294 897070266 /nfs/dbraw/zinc/07/02/66/897070266.db2.gz MQGPMSVAGFFWOB-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1ccccc1-c1nn[n-]n1 ZINC000819933294 897070279 /nfs/dbraw/zinc/07/02/79/897070279.db2.gz MQGPMSVAGFFWOB-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM COc1cc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1C ZINC000026249853 897125192 /nfs/dbraw/zinc/12/51/92/897125192.db2.gz WIYJBNQYGUMCBF-GFCCVEGCSA-N -1 3 386.473 3.765 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1ccc(Cl)cc1 ZINC000567408575 897130765 /nfs/dbraw/zinc/13/07/65/897130765.db2.gz VCPHMFITFVUCNL-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000567422421 897141015 /nfs/dbraw/zinc/14/10/15/897141015.db2.gz CLZDRSDREJXTHE-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCCc2ccc(C(F)(F)F)cc2)c1 ZINC000820117822 897171338 /nfs/dbraw/zinc/17/13/38/897171338.db2.gz FTTFQNZTGRHJLC-SANMLTNESA-N -1 3 386.391 3.608 20 0 GHADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1[n-]cnc1C(F)(F)F ZINC000820176199 897215410 /nfs/dbraw/zinc/21/54/10/897215410.db2.gz BTVSWFURLOYMNU-UHFFFAOYSA-N -1 3 381.383 3.891 20 0 GHADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1nc[n-]c1C(F)(F)F ZINC000820176199 897215428 /nfs/dbraw/zinc/21/54/28/897215428.db2.gz BTVSWFURLOYMNU-UHFFFAOYSA-N -1 3 381.383 3.891 20 0 GHADHM C[C@H](N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1(C)CC1 ZINC000820306894 897259723 /nfs/dbraw/zinc/25/97/23/897259723.db2.gz GXHFXYLTJLGOTM-ZDUSSCGKSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H](N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1(C)CC1 ZINC000820306894 897259742 /nfs/dbraw/zinc/25/97/42/897259742.db2.gz GXHFXYLTJLGOTM-ZDUSSCGKSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339220 897279415 /nfs/dbraw/zinc/27/94/15/897279415.db2.gz ACELZYXMSARCGD-FTRWYGJKSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339220 897279424 /nfs/dbraw/zinc/27/94/24/897279424.db2.gz ACELZYXMSARCGD-FTRWYGJKSA-N -1 3 390.491 3.590 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340483 897280748 /nfs/dbraw/zinc/28/07/48/897280748.db2.gz LKDWBVULFFMDNJ-HNAYVOBHSA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340483 897280757 /nfs/dbraw/zinc/28/07/57/897280757.db2.gz LKDWBVULFFMDNJ-HNAYVOBHSA-N -1 3 378.480 3.966 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])cs1 ZINC000567619997 897296965 /nfs/dbraw/zinc/29/69/65/897296965.db2.gz LHRZKCHZHTWMSQ-ZJUUUORDSA-N -1 3 399.310 3.780 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820561815 897395087 /nfs/dbraw/zinc/39/50/87/897395087.db2.gz AMUAUHWTCGQUJX-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820561815 897395100 /nfs/dbraw/zinc/39/51/00/897395100.db2.gz AMUAUHWTCGQUJX-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM COc1cccc(S([O-])=CC(=O)O[C@@H](COC(C)C)c2cccc(F)c2)c1 ZINC000820627912 897421679 /nfs/dbraw/zinc/42/16/79/897421679.db2.gz VCLLSFYLFNDEON-UZTOHYMASA-N -1 3 394.464 3.651 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(F)cc1Br ZINC001185892567 914161138 /nfs/dbraw/zinc/16/11/38/914161138.db2.gz LZYBZEXQQVOYIS-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2ccc(Br)cc2)c1-c1nnn[n-]1 ZINC000826310730 897466453 /nfs/dbraw/zinc/46/64/53/897466453.db2.gz GGNXPGLPGZEHMU-AWEZNQCLSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000826310730 897466462 /nfs/dbraw/zinc/46/64/62/897466462.db2.gz GGNXPGLPGZEHMU-AWEZNQCLSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826322005 897577095 /nfs/dbraw/zinc/57/70/95/897577095.db2.gz XAMUJKZEMHICSA-MRXNPFEDSA-N -1 3 399.886 3.618 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826322005 897577100 /nfs/dbraw/zinc/57/71/00/897577100.db2.gz XAMUJKZEMHICSA-MRXNPFEDSA-N -1 3 399.886 3.618 20 0 GHADHM Cc1nc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323713 897604984 /nfs/dbraw/zinc/60/49/84/897604984.db2.gz OQWLYGRTSAMCID-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323713 897604990 /nfs/dbraw/zinc/60/49/90/897604990.db2.gz OQWLYGRTSAMCID-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)ccc1F ZINC000132264748 897738217 /nfs/dbraw/zinc/73/82/17/897738217.db2.gz YKIPPGOFJQGGFJ-UHFFFAOYSA-N -1 3 397.447 3.569 20 0 GHADHM Cc1nnc(SCCOc2cccc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826336501 897782150 /nfs/dbraw/zinc/78/21/50/897782150.db2.gz AIVMLACLUNRVGD-UHFFFAOYSA-N -1 3 378.461 3.598 20 0 GHADHM Cc1nnc(SCCOc2cccc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826336501 897782162 /nfs/dbraw/zinc/78/21/62/897782162.db2.gz AIVMLACLUNRVGD-UHFFFAOYSA-N -1 3 378.461 3.598 20 0 GHADHM O=C(Nc1cccc([O-])c1Br)c1ccc(CN2CCCCC2)o1 ZINC000821374945 897836296 /nfs/dbraw/zinc/83/62/96/897836296.db2.gz KMEKAFNSVNCYGK-UHFFFAOYSA-N -1 3 379.254 3.986 20 0 GHADHM CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(C)ccc3[O-])ccc21 ZINC001136462999 897960143 /nfs/dbraw/zinc/96/01/43/897960143.db2.gz CTWJOOCJWFHSHB-UHFFFAOYSA-N -1 3 379.460 3.776 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1[O-] ZINC000568808455 898118879 /nfs/dbraw/zinc/11/88/79/898118879.db2.gz VXLQNXDVXKSHQZ-UHFFFAOYSA-N -1 3 384.823 3.698 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233872 898261686 /nfs/dbraw/zinc/26/16/86/898261686.db2.gz XASWYPZONJRAOT-LJQANCHMSA-N -1 3 376.464 3.612 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233872 898261700 /nfs/dbraw/zinc/26/17/00/898261700.db2.gz XASWYPZONJRAOT-LJQANCHMSA-N -1 3 376.464 3.612 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000883975613 898299612 /nfs/dbraw/zinc/29/96/12/898299612.db2.gz XYMBWJDBTKLVGY-UHFFFAOYSA-N -1 3 388.855 3.647 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)cc2)n1 ZINC000822408753 898358762 /nfs/dbraw/zinc/35/87/62/898358762.db2.gz HUYCGWKMDKKQGL-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)cc2)n1 ZINC000822408753 898358774 /nfs/dbraw/zinc/35/87/74/898358774.db2.gz HUYCGWKMDKKQGL-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Clc1ccc2c(c1)CCCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822581250 898450239 /nfs/dbraw/zinc/45/02/39/898450239.db2.gz FVWGTHBLWQWMFO-UHFFFAOYSA-N -1 3 393.838 3.523 20 0 GHADHM Clc1ccc2c(c1)CCCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822581250 898450254 /nfs/dbraw/zinc/45/02/54/898450254.db2.gz FVWGTHBLWQWMFO-UHFFFAOYSA-N -1 3 393.838 3.523 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OC[C@H](F)C(F)(F)F ZINC000800135750 898646004 /nfs/dbraw/zinc/64/60/04/898646004.db2.gz GNMLTOAFLMRJOR-HOTGVXAUSA-N -1 3 399.340 3.697 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc2nn[n-]c21 ZINC000800205238 898740111 /nfs/dbraw/zinc/74/01/11/898740111.db2.gz FEWCWFMOWQRUNI-UHFFFAOYSA-N -1 3 381.823 3.522 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc2[n-]nnc21 ZINC000800205238 898740124 /nfs/dbraw/zinc/74/01/24/898740124.db2.gz FEWCWFMOWQRUNI-UHFFFAOYSA-N -1 3 381.823 3.522 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc2n[n-]nc21 ZINC000800205238 898740134 /nfs/dbraw/zinc/74/01/34/898740134.db2.gz FEWCWFMOWQRUNI-UHFFFAOYSA-N -1 3 381.823 3.522 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001136653723 898775700 /nfs/dbraw/zinc/77/57/00/898775700.db2.gz FWUJMOQYGRJQFR-GSXXRBPTSA-N -1 3 381.863 3.648 20 0 GHADHM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000823025252 898820575 /nfs/dbraw/zinc/82/05/75/898820575.db2.gz NNVXUHDJKLEYEW-CQSZACIVSA-N -1 3 378.432 3.792 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823070639 898834491 /nfs/dbraw/zinc/83/44/91/898834491.db2.gz IUEHTWLHJGEPMG-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823070639 898834503 /nfs/dbraw/zinc/83/45/03/898834503.db2.gz IUEHTWLHJGEPMG-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM COCCN(CCCOc1ccc(F)cc1)C(=O)c1cc([O-])ccc1Cl ZINC001136688396 898907825 /nfs/dbraw/zinc/90/78/25/898907825.db2.gz XVHZCVLIEDBHMH-UHFFFAOYSA-N -1 3 381.831 3.742 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C[C@@H]1CCc2cc(F)ccc2C1 ZINC001186162268 914315737 /nfs/dbraw/zinc/31/57/37/914315737.db2.gz WQIDKIBFLYFNBK-LLVKDONJSA-N -1 3 375.371 3.591 20 0 GHADHM c1ccc(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C2CCCC2)cc1 ZINC000823787026 899262314 /nfs/dbraw/zinc/26/23/14/899262314.db2.gz HXDORPLDMRMFME-UHFFFAOYSA-N -1 3 387.447 3.866 20 0 GHADHM c1ccc(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CCCC2)cc1 ZINC000823787026 899262326 /nfs/dbraw/zinc/26/23/26/899262326.db2.gz HXDORPLDMRMFME-UHFFFAOYSA-N -1 3 387.447 3.866 20 0 GHADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1ccsc1 ZINC000824045203 899359227 /nfs/dbraw/zinc/35/92/27/899359227.db2.gz IXNVMWZBTYYUSX-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1ccsc1 ZINC000824045203 899359240 /nfs/dbraw/zinc/35/92/40/899359240.db2.gz IXNVMWZBTYYUSX-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cccs1 ZINC000824047166 899360200 /nfs/dbraw/zinc/36/02/00/899360200.db2.gz YOGRXKOFWFHFFJ-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cccs1 ZINC000824047166 899360208 /nfs/dbraw/zinc/36/02/08/899360208.db2.gz YOGRXKOFWFHFFJ-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]3CF)c2)cc1 ZINC000570542514 899374148 /nfs/dbraw/zinc/37/41/48/899374148.db2.gz QAMMRZFQEMXMAY-QGZVFWFLSA-N -1 3 390.480 3.678 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000824104471 899375793 /nfs/dbraw/zinc/37/57/93/899375793.db2.gz UEULVFQLXIAJHN-LLVKDONJSA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000824104471 899375805 /nfs/dbraw/zinc/37/58/05/899375805.db2.gz UEULVFQLXIAJHN-LLVKDONJSA-N -1 3 395.916 3.869 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)c1 ZINC000117727738 899391015 /nfs/dbraw/zinc/39/10/15/899391015.db2.gz BDRCTVFYJGJQFF-UHFFFAOYSA-N -1 3 375.472 3.611 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824319292 899524807 /nfs/dbraw/zinc/52/48/07/899524807.db2.gz LBXRXABQUMEFJQ-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824319292 899524818 /nfs/dbraw/zinc/52/48/18/899524818.db2.gz LBXRXABQUMEFJQ-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824319365 899526440 /nfs/dbraw/zinc/52/64/40/899526440.db2.gz NKLQFMOIHVUGSA-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824319365 899526447 /nfs/dbraw/zinc/52/64/47/899526447.db2.gz NKLQFMOIHVUGSA-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM Nc1nc(CSc2ccc(-c3nnn[n-]3)cc2)nc2sc3c(c21)CCCC3 ZINC000826396296 899557440 /nfs/dbraw/zinc/55/74/40/899557440.db2.gz QKKYBARNZXTIAH-UHFFFAOYSA-N -1 3 395.517 3.625 20 0 GHADHM Nc1nc(CSc2ccc(-c3nn[n-]n3)cc2)nc2sc3c(c21)CCCC3 ZINC000826396296 899557445 /nfs/dbraw/zinc/55/74/45/899557445.db2.gz QKKYBARNZXTIAH-UHFFFAOYSA-N -1 3 395.517 3.625 20 0 GHADHM C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478571 899622286 /nfs/dbraw/zinc/62/22/86/899622286.db2.gz HZZJADPUCPENAE-BZUNDVKYSA-N -1 3 381.402 3.803 20 0 GHADHM C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478571 899622297 /nfs/dbraw/zinc/62/22/97/899622297.db2.gz HZZJADPUCPENAE-BZUNDVKYSA-N -1 3 381.402 3.803 20 0 GHADHM C[C@H](NC(=O)c1ccncc1F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824521912 899657134 /nfs/dbraw/zinc/65/71/34/899657134.db2.gz OIJZKLZAAKYZIS-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccncc1F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824521912 899657137 /nfs/dbraw/zinc/65/71/37/899657137.db2.gz OIJZKLZAAKYZIS-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM O=C([C@@H]1CCCCS1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826398805 899679285 /nfs/dbraw/zinc/67/92/85/899679285.db2.gz GILRGYRPIXNHAS-SFHVURJKSA-N -1 3 379.489 3.686 20 0 GHADHM O=C([C@@H]1CCCCS1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826398805 899679286 /nfs/dbraw/zinc/67/92/86/899679286.db2.gz GILRGYRPIXNHAS-SFHVURJKSA-N -1 3 379.489 3.686 20 0 GHADHM NC(=O)c1cc(Br)ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001136888941 899680056 /nfs/dbraw/zinc/68/00/56/899680056.db2.gz RJFWXHDJMYPWTC-UHFFFAOYSA-N -1 3 391.246 3.721 20 0 GHADHM C[C@@H](Nc1ccc(Br)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000824656174 899740227 /nfs/dbraw/zinc/74/02/27/899740227.db2.gz IPUUYNVGSMXHKB-SECBINFHSA-N -1 3 384.241 3.679 20 0 GHADHM C[C@@H](Nc1ccc(Br)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000824656174 899740231 /nfs/dbraw/zinc/74/02/31/899740231.db2.gz IPUUYNVGSMXHKB-SECBINFHSA-N -1 3 384.241 3.679 20 0 GHADHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000571108589 899741524 /nfs/dbraw/zinc/74/15/24/899741524.db2.gz GWABRBWQUVZSRR-CYBMUJFWSA-N -1 3 388.320 3.607 20 0 GHADHM O=C(NC[C@H](CO)Cc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136960485 899887427 /nfs/dbraw/zinc/88/74/27/899887427.db2.gz WWYWCMFKBYLWJB-GOSISDBHSA-N -1 3 377.440 3.766 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824926382 899892367 /nfs/dbraw/zinc/89/23/67/899892367.db2.gz JWVARTXCUDYGJU-QWRGUYRKSA-N -1 3 399.442 3.767 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824926382 899892374 /nfs/dbraw/zinc/89/23/74/899892374.db2.gz JWVARTXCUDYGJU-QWRGUYRKSA-N -1 3 399.442 3.767 20 0 GHADHM CCC(CC)(CNC(=O)c1cc(SC)ccc1[O-])NC(=O)OC(C)(C)C ZINC001136965401 899896615 /nfs/dbraw/zinc/89/66/15/899896615.db2.gz SSNLPEAUKQKHSC-UHFFFAOYSA-N -1 3 382.526 3.927 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1nc(C2CCCCC2)no1 ZINC000333068193 899935037 /nfs/dbraw/zinc/93/50/37/899935037.db2.gz CBCKDRBULAZJCP-CYBMUJFWSA-N -1 3 386.477 3.705 20 0 GHADHM CC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000333094543 899955120 /nfs/dbraw/zinc/95/51/20/899955120.db2.gz UDRYTZKRRXILGF-JOCHJYFZSA-N -1 3 383.444 3.595 20 0 GHADHM CC[C@@H](SC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825159185 900020977 /nfs/dbraw/zinc/02/09/77/900020977.db2.gz KVQKAYUWGBXOJK-SCLBCKFNSA-N -1 3 381.505 3.853 20 0 GHADHM CC[C@@H](SC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825159185 900020987 /nfs/dbraw/zinc/02/09/87/900020987.db2.gz KVQKAYUWGBXOJK-SCLBCKFNSA-N -1 3 381.505 3.853 20 0 GHADHM CCCCC[C@H](CC)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825265757 900061193 /nfs/dbraw/zinc/06/11/93/900061193.db2.gz AZAVYUBCFQCINM-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCC[C@H](CC)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825265757 900061201 /nfs/dbraw/zinc/06/12/01/900061201.db2.gz AZAVYUBCFQCINM-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCC[C@H](CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825268578 900062994 /nfs/dbraw/zinc/06/29/94/900062994.db2.gz VGUSZPWBFRNXPE-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCC[C@H](CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825268578 900063003 /nfs/dbraw/zinc/06/30/03/900063003.db2.gz VGUSZPWBFRNXPE-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCOc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1OC ZINC000825291107 900072590 /nfs/dbraw/zinc/07/25/90/900072590.db2.gz MIFKYKRGBQKGAN-AWEZNQCLSA-N -1 3 382.468 3.931 20 0 GHADHM CCCCOc1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1OC ZINC000825291107 900072603 /nfs/dbraw/zinc/07/26/03/900072603.db2.gz MIFKYKRGBQKGAN-AWEZNQCLSA-N -1 3 382.468 3.931 20 0 GHADHM CCCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291227 900073162 /nfs/dbraw/zinc/07/31/62/900073162.db2.gz OLMZJPZLWGIDAE-JKSUJKDBSA-N -1 3 393.491 3.916 20 0 GHADHM CCCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291227 900073172 /nfs/dbraw/zinc/07/31/72/900073172.db2.gz OLMZJPZLWGIDAE-JKSUJKDBSA-N -1 3 393.491 3.916 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1ccc2nsnc2c1 ZINC001186270600 914410706 /nfs/dbraw/zinc/41/07/06/914410706.db2.gz AYGGJTUKCPUDNS-UHFFFAOYSA-N -1 3 378.237 3.938 20 0 GHADHM CCCc1csc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825348719 900110049 /nfs/dbraw/zinc/11/00/49/900110049.db2.gz XRDLGZZHVVLHEO-UHFFFAOYSA-N -1 3 395.492 3.597 20 0 GHADHM CCCc1csc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825348719 900110056 /nfs/dbraw/zinc/11/00/56/900110056.db2.gz XRDLGZZHVVLHEO-UHFFFAOYSA-N -1 3 395.492 3.597 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000772893546 900160238 /nfs/dbraw/zinc/16/02/38/900160238.db2.gz QPNWJQXGCOSYPP-UHFFFAOYSA-N -1 3 378.819 3.600 20 0 GHADHM CC(C)CNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000025690350 900234834 /nfs/dbraw/zinc/23/48/34/900234834.db2.gz UTUQPAMKOMFWDD-LLVKDONJSA-N -1 3 391.518 3.639 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000572839774 900288576 /nfs/dbraw/zinc/28/85/76/900288576.db2.gz NRENZYDJLNRUFY-PMXSJFBMSA-N -1 3 378.472 3.558 20 0 GHADHM Cc1c2ccccc2nc(N2CCN(C)[C@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC000572884552 900300081 /nfs/dbraw/zinc/30/00/81/900300081.db2.gz KLRDBSXQEMYKEC-GOSISDBHSA-N -1 3 375.472 3.605 20 0 GHADHM Cc1c(Br)cccc1C[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000573091812 900376411 /nfs/dbraw/zinc/37/64/11/900376411.db2.gz DNPIRHBAQOMYNV-JOCHJYFZSA-N -1 3 381.295 3.579 20 0 GHADHM CCCCc1ncc(CN2CCC[C@@H](C)[C@H]2CO)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747893 900473736 /nfs/dbraw/zinc/47/37/36/900473736.db2.gz CEPSAPMMQXYJPC-DYESRHJHSA-N -1 3 399.535 3.565 20 0 GHADHM Cc1cc(C)c(Br)c(C(=O)[N-]n2c(C)nc3sccc3c2=O)c1 ZINC000157424014 900520876 /nfs/dbraw/zinc/52/08/76/900520876.db2.gz PHALORBQPBXJLY-UHFFFAOYSA-N -1 3 392.278 3.530 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc4c3OC(C)(C)C[C@H]4O)c[n-]c12 ZINC000885654408 900569561 /nfs/dbraw/zinc/56/95/61/900569561.db2.gz OKWUCQXFCKJMLJ-QGZVFWFLSA-N -1 3 396.418 3.822 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(N(C)CC(F)F)CC3)c2c1 ZINC000844212050 900605849 /nfs/dbraw/zinc/60/58/49/900605849.db2.gz PHURBSNODYHFMV-UHFFFAOYSA-N -1 3 377.435 3.716 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc(-c2ccccc2)on1 ZINC000826460479 900673758 /nfs/dbraw/zinc/67/37/58/900673758.db2.gz FEDBPLJXNRINRD-UHFFFAOYSA-N -1 3 392.444 3.714 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc(-c2ccccc2)on1 ZINC000826460479 900673765 /nfs/dbraw/zinc/67/37/65/900673765.db2.gz FEDBPLJXNRINRD-UHFFFAOYSA-N -1 3 392.444 3.714 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](C2CCCC2)C1 ZINC000574308138 900846528 /nfs/dbraw/zinc/84/65/28/900846528.db2.gz YXWFBUKOULACSP-CYBMUJFWSA-N -1 3 389.293 3.943 20 0 GHADHM Cc1ccc2c(c1)CN(C(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)C2 ZINC000574509495 900913896 /nfs/dbraw/zinc/91/38/96/900913896.db2.gz FJXFPKDEODLOSW-UHFFFAOYSA-N -1 3 383.245 3.755 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN([C@H](C)c4cccnc4)CC3)c2c1 ZINC000575409337 901226098 /nfs/dbraw/zinc/22/60/98/901226098.db2.gz HQNQKMSDLSSPAJ-QGZVFWFLSA-N -1 3 390.487 3.828 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c(=O)[n-]1 ZINC000290149498 914547574 /nfs/dbraw/zinc/54/75/74/914547574.db2.gz PUZSKPUVYOOUCD-LLVKDONJSA-N -1 3 383.370 3.700 20 0 GHADHM C[C@]1(CCNC(=O)NCc2ccc([O-])c(Br)c2)C[C@]1(F)Cl ZINC000845065933 901762681 /nfs/dbraw/zinc/76/26/81/901762681.db2.gz XQUHZQJCLQNWED-UONOGXRCSA-N -1 3 379.657 3.659 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1F ZINC001186479984 914566082 /nfs/dbraw/zinc/56/60/82/914566082.db2.gz HXQMWPUQRVPWIM-UHFFFAOYSA-N -1 3 393.239 3.867 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845192912 901926593 /nfs/dbraw/zinc/92/65/93/901926593.db2.gz IFPOVCMGXAISQY-UHFFFAOYSA-N -1 3 376.840 3.721 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845193816 901928927 /nfs/dbraw/zinc/92/89/27/901928927.db2.gz LIZPFBNNKLYDCG-LLVKDONJSA-N -1 3 390.867 3.937 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C[C@@H]3CCCO3)C(F)(F)F)c2)n1 ZINC000845475072 902191888 /nfs/dbraw/zinc/19/18/88/902191888.db2.gz DHUUCAMVVRJFDM-ZFWWWQNUSA-N -1 3 396.365 3.811 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000263670385 902376736 /nfs/dbraw/zinc/37/67/36/902376736.db2.gz FFUXOTSZHWOWIJ-CABCVRRESA-N -1 3 399.491 3.706 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1nc2ccccc2n1Cc1ccccc1 ZINC001144633259 902540644 /nfs/dbraw/zinc/54/06/44/902540644.db2.gz NBNFMRSHOFMTDG-UHFFFAOYSA-N -1 3 389.430 3.788 20 0 GHADHM O=C(CN1CCCCC1=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129494898 902817700 /nfs/dbraw/zinc/81/77/00/902817700.db2.gz JIGCNCYUYONOIG-UHFFFAOYSA-N -1 3 381.457 3.620 20 0 GHADHM O=C(CCCc1ccccc1Cl)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290400819 914665629 /nfs/dbraw/zinc/66/56/29/914665629.db2.gz PUCFWIFYRKYGFI-CYBMUJFWSA-N -1 3 390.833 3.580 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(C)o1 ZINC000264211032 902927704 /nfs/dbraw/zinc/92/77/04/902927704.db2.gz FXTJJSFDXFTMJJ-UHFFFAOYSA-N -1 3 376.356 3.539 20 0 GHADHM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Cl ZINC000048201534 903072788 /nfs/dbraw/zinc/07/27/88/903072788.db2.gz ZJLQLGNYRLIUIH-UHFFFAOYSA-N -1 3 388.048 3.831 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1Cl ZINC000048230924 903160859 /nfs/dbraw/zinc/16/08/59/903160859.db2.gz VJUCGFNLRYHWOJ-UHFFFAOYSA-N -1 3 384.860 3.889 20 0 GHADHM CCCN1CCN(c2ccccc2CN=c2[n-]nc(-c3cc(C)oc3C)o2)CC1 ZINC000577801726 903212024 /nfs/dbraw/zinc/21/20/24/903212024.db2.gz RYVTZARXVKACDM-UHFFFAOYSA-N -1 3 395.507 3.512 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(F)cn1 ZINC001186635547 914696843 /nfs/dbraw/zinc/69/68/43/914696843.db2.gz NMLVMAVBAMFIKA-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(F)cc(Br)c2)C[C@H]1c1ccccc1 ZINC000577952272 903380026 /nfs/dbraw/zinc/38/00/26/903380026.db2.gz BDTJPOQWANWJNE-DLBZAZTESA-N -1 3 378.241 3.888 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2NC[C@@H](C)N1CCc2sccc2C1 ZINC000577955526 903381231 /nfs/dbraw/zinc/38/12/31/903381231.db2.gz WSMDUDJAURJEGY-CYBMUJFWSA-N -1 3 397.500 3.862 20 0 GHADHM Cc1cc(C)c(NC(=O)CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000646637198 914742151 /nfs/dbraw/zinc/74/21/51/914742151.db2.gz HMACXJDIBXBNLE-UHFFFAOYSA-N -1 3 380.366 3.705 20 0 GHADHM C[C@H]1CC(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H](C)C1 ZINC001147331502 903758101 /nfs/dbraw/zinc/75/81/01/903758101.db2.gz KUIKGSRQHLFCCM-GHMZBOCLSA-N -1 3 377.282 3.845 20 0 GHADHM COc1cccc(Oc2ccc(NC(=O)NCc3cnc(C)[n-]c3=O)cc2)c1 ZINC000578397773 903801826 /nfs/dbraw/zinc/80/18/26/903801826.db2.gz JWUIKKCURKRQGN-UHFFFAOYSA-N -1 3 380.404 3.613 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1C(F)(F)F ZINC000578407748 903812871 /nfs/dbraw/zinc/81/28/71/903812871.db2.gz UHCIZMPSBVGDSU-UHFFFAOYSA-N -1 3 387.379 3.592 20 0 GHADHM C[C@H](c1ccccc1Br)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799170945 903876155 /nfs/dbraw/zinc/87/61/55/903876155.db2.gz BWEBNQRFYFETTQ-LLVKDONJSA-N -1 3 393.247 3.901 20 0 GHADHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 ZINC001186741772 914758123 /nfs/dbraw/zinc/75/81/23/914758123.db2.gz IEGAGXCXMYTSRK-SHACYNPGSA-N -1 3 398.575 3.851 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)Oc1ccc(Cl)cc1 ZINC001147910119 903917466 /nfs/dbraw/zinc/91/74/66/903917466.db2.gz KYKHTOYBHREYNK-SNVBAGLBSA-N -1 3 392.789 3.657 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1cccc(CSC2CCCC2)c1 ZINC000887812639 903942627 /nfs/dbraw/zinc/94/26/27/903942627.db2.gz VPNMLHYVPKOSHZ-UHFFFAOYSA-N -1 3 390.534 3.968 20 0 GHADHM O=S(=O)([N-]c1ccc(F)nc1F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186757485 914768992 /nfs/dbraw/zinc/76/89/92/914768992.db2.gz CBRXGDSHMBQFOA-UHFFFAOYSA-N -1 3 388.701 3.713 20 0 GHADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186758427 914769526 /nfs/dbraw/zinc/76/95/26/914769526.db2.gz UKKJWIBKXVUZEO-UHFFFAOYSA-N -1 3 391.758 3.687 20 0 GHADHM CC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)ccc1[O-] ZINC001148656864 904160640 /nfs/dbraw/zinc/16/06/40/904160640.db2.gz BEVQDHBKQRILTI-GDIGMMSISA-N -1 3 398.484 3.531 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001148959089 904258233 /nfs/dbraw/zinc/25/82/33/904258233.db2.gz BTRRMZFKFMAEFX-UHFFFAOYSA-N -1 3 397.243 3.879 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000579186837 904407870 /nfs/dbraw/zinc/40/78/70/904407870.db2.gz UIWAFIYXMHLFFC-UHFFFAOYSA-N -1 3 377.437 3.647 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000889081735 904426123 /nfs/dbraw/zinc/42/61/23/904426123.db2.gz VDVXCNAIJHXHMJ-AULYBMBSSA-N -1 3 375.419 3.742 20 0 GHADHM O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646756534 914816970 /nfs/dbraw/zinc/81/69/70/914816970.db2.gz YCSBWQOEOMVFOR-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)c1snnc1C1CC1 ZINC000290834421 914837482 /nfs/dbraw/zinc/83/74/82/914837482.db2.gz NDVDJMWFHUWAGM-UHFFFAOYSA-N -1 3 378.360 3.924 20 0 GHADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000188362797 904911833 /nfs/dbraw/zinc/91/18/33/904911833.db2.gz MVOLLYQGMDCZIU-RMFUMNGISA-N -1 3 395.890 3.904 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)sc1Cl ZINC001186887085 914854406 /nfs/dbraw/zinc/85/44/06/914854406.db2.gz YGAQQZHFLYGDFV-ZDUSSCGKSA-N -1 3 388.917 3.796 20 0 GHADHM O=C([N-]c1nc2c(cccc2OCC(F)(F)F)s1)c1nnc(C2CC2)o1 ZINC000890388469 905025892 /nfs/dbraw/zinc/02/58/92/905025892.db2.gz RYLPHGBYMZUOTJ-UHFFFAOYSA-N -1 3 384.339 3.750 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000626501871 905073266 /nfs/dbraw/zinc/07/32/66/905073266.db2.gz NREVSEYZZKIPMR-MRXNPFEDSA-N -1 3 394.240 3.816 20 0 GHADHM O=C(C[C@H]1C=CCCC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171916216 905146539 /nfs/dbraw/zinc/14/65/39/905146539.db2.gz YOWLLLPXPSJNQS-LSDHHAIUSA-N -1 3 380.410 3.932 20 0 GHADHM Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)c(C)c1 ZINC001171949832 905154657 /nfs/dbraw/zinc/15/46/57/905154657.db2.gz KUPLBDLGZAQXRM-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)c(C)c1 ZINC001171949832 905154670 /nfs/dbraw/zinc/15/46/70/905154670.db2.gz KUPLBDLGZAQXRM-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CCSc1ccc(CC(=O)NCc2ncccc2[O-])c(Br)c1 ZINC000626738522 905248872 /nfs/dbraw/zinc/24/88/72/905248872.db2.gz VTROPAMDELMLMC-UHFFFAOYSA-N -1 3 381.295 3.521 20 0 GHADHM Cc1cscc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175400139 905557295 /nfs/dbraw/zinc/55/72/95/905557295.db2.gz QYQRBFXGBUWVPL-UHFFFAOYSA-N -1 3 378.881 3.906 20 0 GHADHM CCOC1(CS(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)CCOCC1 ZINC000629282002 906671807 /nfs/dbraw/zinc/67/18/07/906671807.db2.gz GMRBAWZQTDLBQD-UHFFFAOYSA-N -1 3 391.489 3.806 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2cc(Br)ccc2C(F)(F)F)no1 ZINC001212754524 906676097 /nfs/dbraw/zinc/67/60/97/906676097.db2.gz BATDDBJURSCYDG-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629363211 906735865 /nfs/dbraw/zinc/73/58/65/906735865.db2.gz GJWYFOQQKUKOAS-ZDUSSCGKSA-N -1 3 377.872 3.537 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cc(F)cc(F)c3)c2)ccc1O ZINC001173913759 906738157 /nfs/dbraw/zinc/73/81/57/906738157.db2.gz AUBQZXNULCLXHJ-UHFFFAOYSA-N -1 3 392.383 3.535 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000629388816 906759696 /nfs/dbraw/zinc/75/96/96/906759696.db2.gz QNOFACLNLRUUHF-UHFFFAOYSA-N -1 3 381.501 3.553 20 0 GHADHM Cc1ccccc1C(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191229832 906767839 /nfs/dbraw/zinc/76/78/39/906767839.db2.gz MYIWDGQEWOHDES-UHFFFAOYSA-N -1 3 376.859 3.888 20 0 GHADHM CC1(C)CCC[C@@]2(C1)NC(=O)N(Cc1ccc([O-])c(Br)c1)C2=O ZINC000629462110 906806503 /nfs/dbraw/zinc/80/65/03/906806503.db2.gz FTMQSRPLLGPZMW-KRWDZBQOSA-N -1 3 381.270 3.546 20 0 GHADHM O=C(Nc1ccccc1)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191272261 906823359 /nfs/dbraw/zinc/82/33/59/906823359.db2.gz VOBYPUCIRIWXQE-UHFFFAOYSA-N -1 3 377.847 3.971 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299265550 921273804 /nfs/dbraw/zinc/27/38/04/921273804.db2.gz WLSQVCDLSQNAOE-UHFFFAOYSA-N -1 3 390.487 3.924 20 0 GHADHM O=C(NC1CCCC1)c1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001174194746 906887245 /nfs/dbraw/zinc/88/72/45/906887245.db2.gz JDBKBGNGXNIPDA-UHFFFAOYSA-N -1 3 376.254 3.966 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCC12CC2 ZINC000629829464 907029597 /nfs/dbraw/zinc/02/95/97/907029597.db2.gz HBGGRATVDSGEFG-FPOVZHCZSA-N -1 3 392.499 3.950 20 0 GHADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)[N-]OC[C@@H]1CCOC1 ZINC000191816259 907265112 /nfs/dbraw/zinc/26/51/12/907265112.db2.gz SBCPICVPGCZIDI-QGZVFWFLSA-N -1 3 375.852 3.546 20 0 GHADHM COc1cc(F)cc(OC)c1CNC[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000630450815 907286283 /nfs/dbraw/zinc/28/62/83/907286283.db2.gz KJMLCZPNWNIEAB-CYBMUJFWSA-N -1 3 381.831 3.529 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C2CCC(C)(C)CC2)c1 ZINC000183106587 907328287 /nfs/dbraw/zinc/32/82/87/907328287.db2.gz JFQVCZYTZPCPSH-UHFFFAOYSA-N -1 3 385.464 3.982 20 0 GHADHM CCOc1ccc(N(C([S-])=NC(=O)OC)c2ccccc2N)c(F)c1F ZINC001175153560 907381330 /nfs/dbraw/zinc/38/13/30/907381330.db2.gz QGROZIGEJKCVLT-UHFFFAOYSA-N -1 3 381.404 3.725 20 0 GHADHM [O-]c1ccc(F)c(Nc2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)c1F ZINC001175262936 907474187 /nfs/dbraw/zinc/47/41/87/907474187.db2.gz DTHLAGATISOPKZ-JTQLQIEISA-N -1 3 381.770 3.906 20 0 GHADHM Cc1nc(Cl)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000192516961 907708807 /nfs/dbraw/zinc/70/88/07/907708807.db2.gz WSTPGVBDJXBZDN-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM Cc1nc([N-]C(=O)c2cccc[n+]2[O-])sc1Cc1ccc(Cl)cc1F ZINC000773517866 907710024 /nfs/dbraw/zinc/71/00/24/907710024.db2.gz YGFWSNLKLCJHGW-UHFFFAOYSA-N -1 3 377.828 3.721 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)nc2)n1 ZINC000631494039 907731663 /nfs/dbraw/zinc/73/16/63/907731663.db2.gz BYYOIVMUBXKRCT-KCUHQSDYSA-N -1 3 396.535 3.963 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(-c2ccccc2)nc1)OCC ZINC001175833127 907753598 /nfs/dbraw/zinc/75/35/98/907753598.db2.gz QHXZJMNFOGBCOC-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM CCN(CC1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1)C(=O)OC(C)(C)C ZINC000192608674 907781515 /nfs/dbraw/zinc/78/15/15/907781515.db2.gz NKPKBANGVQMKOX-OAHLLOKOSA-N -1 3 378.517 3.521 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000631882587 907867282 /nfs/dbraw/zinc/86/72/82/907867282.db2.gz GUGNKWQQGBKBRS-NSHDSACASA-N -1 3 380.413 3.687 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cnc(Cl)cn1 ZINC000192741426 907874144 /nfs/dbraw/zinc/87/41/44/907874144.db2.gz XDQHIMHGRGTRNT-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)C)CC2)c1 ZINC000186389623 907918660 /nfs/dbraw/zinc/91/86/60/907918660.db2.gz SEPQHIWUHLKLSQ-OAHLLOKOSA-N -1 3 385.464 3.839 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001176257609 908026403 /nfs/dbraw/zinc/02/64/03/908026403.db2.gz DXFNOOMVQSHVSZ-UHFFFAOYSA-N -1 3 382.476 3.664 20 0 GHADHM Cc1ccc(C=CNc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])cc1 ZINC001176422279 908111188 /nfs/dbraw/zinc/11/11/88/908111188.db2.gz HZKQKDZVZXHWPB-ZHACJKMWSA-N -1 3 396.468 3.904 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NOC2CCCCC2)CC1 ZINC000779692507 908177299 /nfs/dbraw/zinc/17/72/99/908177299.db2.gz DCQHNLFCDGPVKH-UHFFFAOYSA-N -1 3 395.887 3.670 20 0 GHADHM Cc1ccc(S(=O)(=O)N2CC=C(Nc3cccc(Cl)c3[O-])CC2)cc1 ZINC001176646624 908195711 /nfs/dbraw/zinc/19/57/11/908195711.db2.gz BFWUKZHESUSLRS-UHFFFAOYSA-N -1 3 378.881 3.744 20 0 GHADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000188444475 908212795 /nfs/dbraw/zinc/21/27/95/908212795.db2.gz NTALMXMABBERAK-QGZVFWFLSA-N -1 3 376.456 3.837 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ncc([O-])cc1Br ZINC001177024135 908368946 /nfs/dbraw/zinc/36/89/46/908368946.db2.gz MVRHVAFBGIPIMJ-UHFFFAOYSA-N -1 3 388.221 3.776 20 0 GHADHM CCc1cccc(C(=O)N[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)c1[O-] ZINC001177046310 908381715 /nfs/dbraw/zinc/38/17/15/908381715.db2.gz QABHXHJFCZNSHT-OAHLLOKOSA-N -1 3 381.350 3.618 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(-c3ccc(C(F)(F)F)cc3)s2)nn1 ZINC000633729603 908450382 /nfs/dbraw/zinc/45/03/82/908450382.db2.gz QHYOLABYGOIFLC-UHFFFAOYSA-N -1 3 396.398 3.823 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1csc(-c2ccccc2Cl)n1 ZINC001177644858 908699238 /nfs/dbraw/zinc/69/92/38/908699238.db2.gz JAPZUPNWHKTUQR-UHFFFAOYSA-N -1 3 386.864 3.767 20 0 GHADHM CC(C)c1oncc1[N-]C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001177843407 908777201 /nfs/dbraw/zinc/77/72/01/908777201.db2.gz DAPXHNCJVBQMNK-UHFFFAOYSA-N -1 3 399.900 3.781 20 0 GHADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192532393 908795764 /nfs/dbraw/zinc/79/57/64/908795764.db2.gz CPGRXVFSBMWQDU-LBPRGKRZSA-N -1 3 382.386 3.531 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3ccccc3F)CC2)c1 ZINC000634695881 908807804 /nfs/dbraw/zinc/80/78/04/908807804.db2.gz AOZYGVMXNWEQNR-HXUWFJFHSA-N -1 3 389.423 3.512 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CCCc1ccccc1 ZINC000299567869 921456122 /nfs/dbraw/zinc/45/61/22/921456122.db2.gz ZCZSGCMFMNBVAW-UHFFFAOYSA-N -1 3 390.487 3.576 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nccn1C ZINC000366306389 921481588 /nfs/dbraw/zinc/48/15/88/921481588.db2.gz UPYGYRNGTJABMR-OAQYLSRUSA-N -1 3 387.439 3.807 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000795236527 909410846 /nfs/dbraw/zinc/41/08/46/909410846.db2.gz ODVXEBLHIMQRCA-CABCVRRESA-N -1 3 389.304 3.569 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179177150 909415237 /nfs/dbraw/zinc/41/52/37/909415237.db2.gz QXFYHUMBENUOPU-MRVPVSSYSA-N -1 3 376.766 3.757 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636114322 909435381 /nfs/dbraw/zinc/43/53/81/909435381.db2.gz HXVPQBHBGAAHOS-UHFFFAOYSA-N -1 3 382.489 3.511 20 0 GHADHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001179356137 909481696 /nfs/dbraw/zinc/48/16/96/909481696.db2.gz OIPXMHUCBDDOKG-UHFFFAOYSA-N -1 3 398.459 3.972 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317881 909535474 /nfs/dbraw/zinc/53/54/74/909535474.db2.gz NQQXIIORJACPDR-UHFFFAOYSA-N -1 3 389.455 3.812 20 0 GHADHM O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320164 909539249 /nfs/dbraw/zinc/53/92/49/909539249.db2.gz HUNGCSAPHTYEMU-UHFFFAOYSA-N -1 3 398.463 3.571 20 0 GHADHM Cc1c(Br)scc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320171 909540049 /nfs/dbraw/zinc/54/00/49/909540049.db2.gz ICMQNWGROGYCQH-UHFFFAOYSA-N -1 3 382.283 3.512 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1OC ZINC000267552775 909548400 /nfs/dbraw/zinc/54/84/00/909548400.db2.gz GZZKVFZROWHAGZ-CPUCHLNUSA-N -1 3 395.525 3.642 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1OC ZINC000267552771 909548457 /nfs/dbraw/zinc/54/84/57/909548457.db2.gz GZZKVFZROWHAGZ-CKEIUWERSA-N -1 3 395.525 3.642 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000795281546 909695697 /nfs/dbraw/zinc/69/56/97/909695697.db2.gz GJSAMPKHFIUEBO-DZGCQCFKSA-N -1 3 389.370 3.688 20 0 GHADHM Cc1cc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cnc1F ZINC001180088055 909939439 /nfs/dbraw/zinc/93/94/39/909939439.db2.gz WDEKXCDKZUEHOB-UHFFFAOYSA-N -1 3 399.491 3.962 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC001180221190 910020643 /nfs/dbraw/zinc/02/06/43/910020643.db2.gz CXAWNMVDNOKXLI-KOMQPUFPSA-N -1 3 380.423 3.773 20 0 GHADHM COc1ccc2cccc(CC(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)c2c1 ZINC001180221929 910022490 /nfs/dbraw/zinc/02/24/90/910022490.db2.gz NQFSELAUYVYMCM-SAABIXHNSA-N -1 3 391.471 3.729 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccccc1NCC(F)(F)F ZINC001180225462 910023310 /nfs/dbraw/zinc/02/33/10/910023310.db2.gz CEENQBCIUXVMCB-JOCQHMNTSA-N -1 3 394.397 3.613 20 0 GHADHM Cc1cc(CN[C@H](CCOC(C)(C)C)C(=O)[O-])c(Br)cc1F ZINC000901761399 921542897 /nfs/dbraw/zinc/54/28/97/921542897.db2.gz WWKUKANEUZJEDJ-CQSZACIVSA-N -1 3 376.266 3.645 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C[C@@](C)(O)c3ccccc3)n[n-]2)cc1 ZINC001180844032 910374383 /nfs/dbraw/zinc/37/43/83/910374383.db2.gz SANIMYPBGCQMRX-HXUWFJFHSA-N -1 3 382.489 3.642 20 0 GHADHM CC[C@@]1(C(=O)Nc2c([O-])cccc2C(C)=O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001180885843 910389587 /nfs/dbraw/zinc/38/95/87/910389587.db2.gz VFDKDACJSPIDAT-OAQYLSRUSA-N -1 3 390.480 3.961 20 0 GHADHM O=C(OC[C@@H]1CCC[C@H](O)C1)c1n[n-]c(-c2ccccc2)c1Br ZINC000795477366 910583377 /nfs/dbraw/zinc/58/33/77/910583377.db2.gz UHXSKDYPHQUKAC-YPMHNXCESA-N -1 3 379.254 3.547 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000270705316 910669133 /nfs/dbraw/zinc/66/91/33/910669133.db2.gz YZHKQQYXWBUCGE-WFASDCNBSA-N -1 3 385.302 3.548 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000901821985 921596060 /nfs/dbraw/zinc/59/60/60/921596060.db2.gz ICXXMSSCOHEHPX-SFHVURJKSA-N -1 3 383.341 3.953 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CCCc1ccccc1)C(=O)Nc1cncc([O-])c1 ZINC001181326916 910713017 /nfs/dbraw/zinc/71/30/17/910713017.db2.gz GKYXNGHXAVCEOT-SFHVURJKSA-N -1 3 385.464 3.642 20 0 GHADHM O=C(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1-c1nnn[n-]1 ZINC001181697266 910947517 /nfs/dbraw/zinc/94/75/17/910947517.db2.gz VXIJPFKIAQSVRN-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1-c1nn[n-]n1 ZINC001181697266 910947527 /nfs/dbraw/zinc/94/75/27/910947527.db2.gz VXIJPFKIAQSVRN-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC2CC1(c1ccccc1)C2 ZINC000640302040 910960400 /nfs/dbraw/zinc/96/04/00/910960400.db2.gz IGYLFCQVNDFVNP-UHFFFAOYSA-N -1 3 384.789 3.674 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ncc(Br)[n-]c3=O)CCCCC2)cc1 ZINC001181873091 911053077 /nfs/dbraw/zinc/05/30/77/911053077.db2.gz CPMBTHCAKDFBHD-UHFFFAOYSA-N -1 3 390.281 3.681 20 0 GHADHM CCN(C)C(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000273960173 911140089 /nfs/dbraw/zinc/14/00/89/911140089.db2.gz PYVQQFOGBMWDTP-JTQLQIEISA-N -1 3 377.491 3.929 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](CO)C(C)C)cc1 ZINC000274074061 911212154 /nfs/dbraw/zinc/21/21/54/911212154.db2.gz VHKIGYGYPPDXMB-OAQYLSRUSA-N -1 3 394.471 3.608 20 0 GHADHM COC(=O)c1ncc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1Cl ZINC000795615428 911446387 /nfs/dbraw/zinc/44/63/87/911446387.db2.gz JISDBXKOBMGMEU-VOTSOKGWSA-N -1 3 387.244 3.588 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901871369 921667260 /nfs/dbraw/zinc/66/72/60/921667260.db2.gz FHTNGHMRWUTHAP-BXUZGUMPSA-N -1 3 397.700 3.919 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000641719370 911494801 /nfs/dbraw/zinc/49/48/01/911494801.db2.gz QXAIMMQAFWRONF-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000641719370 911494805 /nfs/dbraw/zinc/49/48/05/911494805.db2.gz QXAIMMQAFWRONF-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3n[nH]cc3C(F)(F)F)n2)cc1 ZINC001182808807 912058473 /nfs/dbraw/zinc/05/84/73/912058473.db2.gz BLDQNSAONBONRB-UHFFFAOYSA-N -1 3 385.396 3.921 20 0 GHADHM CC(=O)c1ncc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)s1 ZINC001182809590 912060992 /nfs/dbraw/zinc/06/09/92/912060992.db2.gz QRMHAFXNIZXSKQ-UHFFFAOYSA-N -1 3 379.344 3.854 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)N3CCc4cc(Br)ccc43)c[n-]c12 ZINC001183040732 912210714 /nfs/dbraw/zinc/21/07/14/912210714.db2.gz NUYQVDICHMQUOJ-UHFFFAOYSA-N -1 3 383.245 3.802 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1ccccc1-c1nnn[n-]1 ZINC001186991666 914960738 /nfs/dbraw/zinc/96/07/38/914960738.db2.gz OSIBUPMFRKJDDV-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1ccccc1-c1nn[n-]n1 ZINC001186991666 914960745 /nfs/dbraw/zinc/96/07/45/914960745.db2.gz OSIBUPMFRKJDDV-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C([O-])c1cnc(C2CCN(Cc3ccc(OCC(F)F)cc3)CC2)s1 ZINC000901933964 921747123 /nfs/dbraw/zinc/74/71/23/921747123.db2.gz GUTQHWCJGDLZNT-UHFFFAOYSA-N -1 3 382.432 3.865 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]CC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001187413590 915231392 /nfs/dbraw/zinc/23/13/92/915231392.db2.gz CZSJUEDQXHEZQJ-UHFFFAOYSA-N -1 3 376.400 3.549 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001187392296 915246101 /nfs/dbraw/zinc/24/61/01/915246101.db2.gz YXYHZPNEXFEFLB-UHFFFAOYSA-N -1 3 378.837 3.907 20 0 GHADHM C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)c1nc(C2CCCCC2)no1 ZINC001187453849 915260307 /nfs/dbraw/zinc/26/03/07/915260307.db2.gz MPBSXWHVYPWQQF-JCURWCKSSA-N -1 3 393.484 3.793 20 0 GHADHM COc1cc(C(=O)Nc2ncc([O-])cc2Br)ccc1OC(C)C ZINC001187558233 915324363 /nfs/dbraw/zinc/32/43/63/915324363.db2.gz IUWYTOISUDXNNS-UHFFFAOYSA-N -1 3 381.226 3.598 20 0 GHADHM Cc1ccc(OCCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(Br)c1 ZINC000647802815 915391678 /nfs/dbraw/zinc/39/16/78/915391678.db2.gz UYHHJYSQLOBJIH-UHFFFAOYSA-N -1 3 390.237 3.747 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1SC[C@@H](O)C(F)(F)F ZINC001187802844 915523020 /nfs/dbraw/zinc/52/30/20/915523020.db2.gz KCAKDVPVNMZHFJ-OAHLLOKOSA-N -1 3 399.390 3.862 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187982174 915663327 /nfs/dbraw/zinc/66/33/27/915663327.db2.gz VHFXHDQZGSONGD-SECBINFHSA-N -1 3 379.696 3.951 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](COc2c(C)cccc2C)c2ccccc2)nn1 ZINC001187990586 915668478 /nfs/dbraw/zinc/66/84/78/915668478.db2.gz PYMOTXFSYPCIAO-LJQANCHMSA-N -1 3 397.500 3.500 20 0 GHADHM O=C([O-])C[C@@H]1CSCCN1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000901983217 921789781 /nfs/dbraw/zinc/78/97/81/921789781.db2.gz CZEFOCWWHCEDBK-GOSISDBHSA-N -1 3 375.465 3.797 20 0 GHADHM Cc1ccnc(C[N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)c1 ZINC001188167788 915789165 /nfs/dbraw/zinc/78/91/65/915789165.db2.gz OWQSENIKNXAAIB-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)cc1F ZINC001188205484 915828342 /nfs/dbraw/zinc/82/83/42/915828342.db2.gz VSIKYYRRINVKQR-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)c1[O-] ZINC000648904315 915932101 /nfs/dbraw/zinc/93/21/01/915932101.db2.gz GLDGQAHXQBCPMB-OAHLLOKOSA-N -1 3 394.880 3.703 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001188596852 916072972 /nfs/dbraw/zinc/07/29/72/916072972.db2.gz VBKSGZLJRYTRLW-HZPDHXFCSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCc1cn(Cc2ccccc2C(F)(F)F)cn1 ZINC001188658206 916082776 /nfs/dbraw/zinc/08/27/76/916082776.db2.gz AFDAMBJBDKBBBH-UHFFFAOYSA-N -1 3 389.377 3.894 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001188619548 916086925 /nfs/dbraw/zinc/08/69/25/916086925.db2.gz BTOKNYLKFMAPSV-UHFFFAOYSA-N -1 3 382.347 3.758 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001188640081 916096707 /nfs/dbraw/zinc/09/67/07/916096707.db2.gz DZLYJWZICXTCEG-UHFFFAOYSA-N -1 3 377.419 3.538 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCCC2)O1 ZINC001188689763 916114028 /nfs/dbraw/zinc/11/40/28/916114028.db2.gz PWDNJKIUUMRNKY-OAHLLOKOSA-N -1 3 397.468 3.625 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C2CCN(C(C)=O)CC2)cc1 ZINC001188762835 916189229 /nfs/dbraw/zinc/18/92/29/916189229.db2.gz RUPYILPGQUSKGO-UHFFFAOYSA-N -1 3 380.444 3.573 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1nc(Cl)ccc1C(F)(F)F ZINC001188773203 916198007 /nfs/dbraw/zinc/19/80/07/916198007.db2.gz OWFGTLAOPYXWFI-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)c(C(F)(F)F)n1 ZINC000649602449 916251739 /nfs/dbraw/zinc/25/17/39/916251739.db2.gz UYRVNDQIVKRHDD-UHFFFAOYSA-N -1 3 396.337 3.989 20 0 GHADHM O=S(=O)(Nc1cc([O-])c(F)cc1F)c1ccc(Oc2cccnc2)cc1 ZINC001188886243 916276022 /nfs/dbraw/zinc/27/60/22/916276022.db2.gz PIKVTVYHVIOZHH-UHFFFAOYSA-N -1 3 378.356 3.659 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1cccc2ccccc21)OCC ZINC001188909816 916292717 /nfs/dbraw/zinc/29/27/17/916292717.db2.gz GZVJBKOVOBQMPB-UHFFFAOYSA-N -1 3 396.447 3.921 20 0 GHADHM CC1(C)CCC(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC001188910355 916293852 /nfs/dbraw/zinc/29/38/52/916293852.db2.gz VTWDQBPRFJQSOZ-UHFFFAOYSA-N -1 3 395.750 3.992 20 0 GHADHM CC(C)(C)c1cc2ncc([N-]S(=O)(=O)CCc3ccc(Cl)cc3)cn2n1 ZINC001189076271 916392370 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CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3F)cc2C[C@H]1C ZINC000650218043 916807727 /nfs/dbraw/zinc/80/77/27/916807727.db2.gz MKWPQIONIJNOLX-SNVBAGLBSA-N -1 3 398.406 3.862 20 0 GHADHM CC(C)(C)c1cnn2cc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cnc12 ZINC001189755342 916881006 /nfs/dbraw/zinc/88/10/06/916881006.db2.gz LUNWJYBAOBAIPW-UHFFFAOYSA-N -1 3 394.353 3.883 20 0 GHADHM COc1cnccc1[C@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001189775254 916910178 /nfs/dbraw/zinc/91/01/78/916910178.db2.gz XPIHWJMGWMBSBH-OAHLLOKOSA-N -1 3 382.338 3.576 20 0 GHADHM CN(C(=O)CN1CCCC[C@@H]1CC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000650505008 917040478 /nfs/dbraw/zinc/04/04/78/917040478.db2.gz MWCVCANMZXFLKK-NFBKMPQASA-N -1 3 398.478 3.703 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC[C@@]3(CCc4c3cccc4F)C2)c(OC)c1 ZINC001190137971 917122522 /nfs/dbraw/zinc/12/25/22/917122522.db2.gz PBQJBACCXULAFF-JOCHJYFZSA-N -1 3 385.435 3.669 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1F)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350627 917278358 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3.618 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910132 917658254 /nfs/dbraw/zinc/65/82/54/917658254.db2.gz MGIQCYWBLMKALZ-HZPDHXFCSA-N -1 3 388.851 3.740 20 0 GHADHM O=C(N[C@@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(=O)[n-]c1Cl ZINC001190918250 917661645 /nfs/dbraw/zinc/66/16/45/917661645.db2.gz NZQLFDBGGXIVGG-INIZCTEOSA-N -1 3 378.831 3.868 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(SCC)c2)c1 ZINC001190984489 917686235 /nfs/dbraw/zinc/68/62/35/917686235.db2.gz QQFBZJHYQWLTLH-UHFFFAOYSA-N -1 3 397.493 3.593 20 0 GHADHM O=C(NCCCc1ccccc1)Nc1cc(I)ccc1[O-] ZINC001191209982 917825599 /nfs/dbraw/zinc/82/55/99/917825599.db2.gz DEMRFUHXNGHKOF-UHFFFAOYSA-N -1 3 396.228 3.751 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3COc4ccccc4C3)c2)n1 ZINC000363195693 917896996 /nfs/dbraw/zinc/89/69/96/917896996.db2.gz HSVBLWKOAGWWOB-MRXNPFEDSA-N -1 3 375.428 3.601 20 0 GHADHM Cc1ccc(-c2noc(CCCN3Cc4ccccc4[C@H](C(=O)[O-])C3)n2)cc1F ZINC000652470843 917905752 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O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccc(Br)nc1 ZINC001191867079 918271215 /nfs/dbraw/zinc/27/12/15/918271215.db2.gz UFMLRAKYPGSMPP-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3cc(OC(C)=O)ccc3F)ccc2c1 ZINC001191971765 918345034 /nfs/dbraw/zinc/34/50/34/918345034.db2.gz CDUJFZSPFCOPLR-UHFFFAOYSA-N -1 3 389.404 3.714 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1OC ZINC000296662296 918557433 /nfs/dbraw/zinc/55/74/33/918557433.db2.gz VCPZNAHTLUEEKA-UHFFFAOYSA-N -1 3 395.525 3.501 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000296930041 918913765 /nfs/dbraw/zinc/91/37/65/918913765.db2.gz GJFGKDSLSOOLNR-UHFFFAOYSA-N -1 3 390.292 3.865 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000296930041 918913774 /nfs/dbraw/zinc/91/37/74/918913774.db2.gz GJFGKDSLSOOLNR-UHFFFAOYSA-N -1 3 390.292 3.865 20 0 GHADHM CCOc1ccc(C(=O)N[N-]C(=O)c2cc(SC)ccc2Cl)cc1OC ZINC000015476096 919376537 /nfs/dbraw/zinc/37/65/37/919376537.db2.gz OMGYKAVKHOFPIC-UHFFFAOYSA-N -1 3 394.880 3.544 20 0 GHADHM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NCc1ccc(F)cc1Cl ZINC000900058327 919782036 /nfs/dbraw/zinc/78/20/36/919782036.db2.gz YDYFXZLLICZXDB-KRWDZBQOSA-N -1 3 379.815 3.546 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](NCc2c(F)ccc(C(F)(F)F)c2Br)[C@H]2C[C@H]21 ZINC000900059082 919783793 /nfs/dbraw/zinc/78/37/93/919783793.db2.gz LEKJVUIXHLTZRH-ZWADGADFSA-N -1 3 396.178 3.806 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc(F)cc4[n-]nnc43)n2)ccc1F ZINC000800261928 919801984 /nfs/dbraw/zinc/80/19/84/919801984.db2.gz BZOYEGPWUUGGLK-SECBINFHSA-N -1 3 385.330 3.513 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc(F)cc4nn[n-]c43)n2)ccc1F ZINC000800261928 919802000 /nfs/dbraw/zinc/80/20/00/919802000.db2.gz BZOYEGPWUUGGLK-SECBINFHSA-N -1 3 385.330 3.513 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)OC(=O)c3cc(F)cc4n[n-]nc43)n2)ccc1F ZINC000800261928 919802009 /nfs/dbraw/zinc/80/20/09/919802009.db2.gz BZOYEGPWUUGGLK-SECBINFHSA-N -1 3 385.330 3.513 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)c3cc(F)cc4[n-]nnc43)cs2)cc1 ZINC000800263454 919809879 /nfs/dbraw/zinc/80/98/79/919809879.db2.gz IWMYCUFWWLNDEZ-UHFFFAOYSA-N -1 3 398.419 3.798 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)c3cc(F)cc4nn[n-]c43)cs2)cc1 ZINC000800263454 919809917 /nfs/dbraw/zinc/80/99/17/919809917.db2.gz IWMYCUFWWLNDEZ-UHFFFAOYSA-N -1 3 398.419 3.798 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)c3cc(F)cc4n[n-]nc43)cs2)cc1 ZINC000800263454 919809932 /nfs/dbraw/zinc/80/99/32/919809932.db2.gz IWMYCUFWWLNDEZ-UHFFFAOYSA-N -1 3 398.419 3.798 20 0 GHADHM CC[C@](O)(C(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000800519152 920235650 /nfs/dbraw/zinc/23/56/50/920235650.db2.gz MHRSRNPWNPGVRZ-QGZVFWFLSA-N -1 3 398.684 3.722 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000900728922 920554721 /nfs/dbraw/zinc/55/47/21/920554721.db2.gz CYEIHKIYFXOCSV-UHFFFAOYSA-N -1 3 392.496 3.501 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000365251709 920571072 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GHADHM C[C@@H](Oc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000902360421 922122350 /nfs/dbraw/zinc/12/23/50/922122350.db2.gz TZOVWSUBMOKWNE-QGZVFWFLSA-N -1 3 399.487 3.524 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1occ2c1CCOC2 ZINC000367611340 922228855 /nfs/dbraw/zinc/22/88/55/922228855.db2.gz BSLJODLFYCUTHU-UHFFFAOYSA-N -1 3 375.837 3.700 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ncccc4C)CC3)nc2)n1 ZINC000368170231 922514353 /nfs/dbraw/zinc/51/43/53/922514353.db2.gz BPOUXUWFHZXUIV-UHFFFAOYSA-N -1 3 391.475 3.558 20 0 GHADHM Cc1ccc(CC[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000902857349 922561714 /nfs/dbraw/zinc/56/17/14/922561714.db2.gz JWMBNTUVEYJOKT-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM CCOC1CC(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000803282188 922850879 /nfs/dbraw/zinc/85/08/79/922850879.db2.gz HIDNTMKAXHLQRZ-LFNLJPBCSA-N -1 3 397.471 3.612 20 0 GHADHM CC(C)SCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000803484521 923033483 /nfs/dbraw/zinc/03/34/83/923033483.db2.gz VKWJFPUKRSZQEJ-UHFFFAOYSA-N -1 3 397.493 3.925 20 0 GHADHM C[C@@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC000903631258 923140239 /nfs/dbraw/zinc/14/02/39/923140239.db2.gz PBNAQAZQDVXQOT-XFQXTVEOSA-N -1 3 377.444 3.869 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@@H](Cc2nccs2)C1 ZINC000903632548 923141514 /nfs/dbraw/zinc/14/15/14/923141514.db2.gz ZLXMIEKAAAVLOF-AWEZNQCLSA-N -1 3 383.473 3.951 20 0 GHADHM O=C([O-])[C@@H](CCc1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000903898348 923378343 /nfs/dbraw/zinc/37/83/43/923378343.db2.gz PHEYWNLNODVSAM-RTBURBONSA-N -1 3 391.414 3.747 20 0 GHADHM O=C([O-])c1ccoc1CN1CCC[C@H]1COc1ccc(Br)cc1 ZINC000903934127 923407756 /nfs/dbraw/zinc/40/77/56/923407756.db2.gz JPKKECCVLSOMOX-ZDUSSCGKSA-N -1 3 380.238 3.784 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@H](C3CCOCC3)C2)c1 ZINC000903936851 923411162 /nfs/dbraw/zinc/41/11/62/923411162.db2.gz XTQHGJWZQOZTOO-HNNXBMFYSA-N -1 3 382.298 3.786 20 0 GHADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c(Br)c1 ZINC000903941508 923417878 /nfs/dbraw/zinc/41/78/78/923417878.db2.gz PMFHQJJZIHDBGY-RRQGHBQHSA-N -1 3 382.298 3.602 20 0 GHADHM Cn1c(Cl)nc(Cl)c1CNC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000903990876 923452778 /nfs/dbraw/zinc/45/27/78/923452778.db2.gz DBWBCUKAWFZZPV-JTQLQIEISA-N -1 3 376.671 3.728 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-]c1cnc(Cl)c(Br)c1 ZINC000396542687 923457284 /nfs/dbraw/zinc/45/72/84/923457284.db2.gz PFVMMWFMDZHZOS-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CCOC(=O)N1[C@@H](C(=O)Nc2cc(F)ccc2[O-])CC[C@@H]1c1ccc(C)o1 ZINC000748859630 923867600 /nfs/dbraw/zinc/86/76/00/923867600.db2.gz YBYNHFPEUKZSEL-HUUCEWRRSA-N -1 3 376.384 3.733 20 0 GHADHM COc1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c([O-])c1 ZINC000370188799 923940362 /nfs/dbraw/zinc/94/03/62/923940362.db2.gz JCURQKICJVYUAE-IBGZPJMESA-N -1 3 383.835 3.706 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370367061 924057883 /nfs/dbraw/zinc/05/78/83/924057883.db2.gz SHQFFBCKPMNVJX-SFHVURJKSA-N -1 3 391.427 3.599 20 0 GHADHM COc1cc(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)ccc1O ZINC000676844716 924107523 /nfs/dbraw/zinc/10/75/23/924107523.db2.gz YFHSPQGFLIKFDF-UHFFFAOYSA-N -1 3 390.288 3.537 20 0 GHADHM COc1cc2cc(C(=O)Nc3ccc(Cl)cc3[O-])[nH]c2c(OC)c1OC ZINC000677211634 924286009 /nfs/dbraw/zinc/28/60/09/924286009.db2.gz DNWDIOKKMNIQCE-UHFFFAOYSA-N -1 3 376.796 3.805 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cc(Cl)ccc1OC(F)(F)F ZINC000826968326 924443955 /nfs/dbraw/zinc/44/39/55/924443955.db2.gz MFZVUJIZLPUTDK-ZCFIWIBFSA-N -1 3 398.617 3.711 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3cc(C)cc(C)c3)CCCCCC2)no1 ZINC000409555432 924757511 /nfs/dbraw/zinc/75/75/11/924757511.db2.gz IGYUEMGCFBVLHG-UHFFFAOYSA-N -1 3 377.510 3.664 20 0 GHADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000371832613 924891867 /nfs/dbraw/zinc/89/18/67/924891867.db2.gz OQTYQRDBNPNWFR-LEWJYISDSA-N -1 3 397.471 3.577 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cc(Br)ccc1F ZINC000409887798 925106361 /nfs/dbraw/zinc/10/63/61/925106361.db2.gz SWRHZAMEWQRBKB-UHFFFAOYSA-N -1 3 386.233 3.692 20 0 GHADHM Cc1ccc(-c2csc3[n-]c(-c4cccc(OCCO)n4)nc(=O)c23)s1 ZINC000679923149 925308198 /nfs/dbraw/zinc/30/81/98/925308198.db2.gz FDNOHMYVXSFXSC-UHFFFAOYSA-N -1 3 385.470 3.867 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3COc4cc(F)cc(F)c43)cc2)cc(=O)[n-]1 ZINC000680028912 925335796 /nfs/dbraw/zinc/33/57/96/925335796.db2.gz OGUFSYHDRHOQBL-MRXNPFEDSA-N -1 3 398.369 3.691 20 0 GHADHM CC1([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC(F)(F)CC1 ZINC000680095043 925360179 /nfs/dbraw/zinc/36/01/79/925360179.db2.gz MVSKURWZZKBCKN-UHFFFAOYSA-N -1 3 386.233 3.835 20 0 GHADHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C(C1CC1)C1CC1 ZINC000680356631 925453973 /nfs/dbraw/zinc/45/39/73/925453973.db2.gz MWYNPZJXPJPPIR-UHFFFAOYSA-N -1 3 375.266 3.551 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3ccc(C)cc32)c1 ZINC000680436149 925477986 /nfs/dbraw/zinc/47/79/86/925477986.db2.gz KWZKYUXLMSZVMF-IBGZPJMESA-N -1 3 391.427 3.667 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000680503943 925497998 /nfs/dbraw/zinc/49/79/98/925497998.db2.gz MYUFAOIRGPGQOB-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)c1Cl ZINC000680541038 925509544 /nfs/dbraw/zinc/50/95/44/925509544.db2.gz ICUSQVJFNQTNNW-UHFFFAOYSA-N -1 3 384.288 3.667 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)cc1C ZINC000410417340 925619865 /nfs/dbraw/zinc/61/98/65/925619865.db2.gz KFVMLMLDKSCRHC-UHFFFAOYSA-N -1 3 385.489 3.822 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000372862618 925748652 /nfs/dbraw/zinc/74/86/52/925748652.db2.gz PGTRLQRSEWZQCM-UHFFFAOYSA-N -1 3 377.831 3.792 20 0 GHADHM O=C([N-]c1nn2cnnc2s1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000682028833 925985163 /nfs/dbraw/zinc/98/51/63/925985163.db2.gz FNCXQDPEMBFNKY-UHFFFAOYSA-N -1 3 395.322 3.597 20 0 GHADHM O=C([O-])c1ccccc1C1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000682185424 926038248 /nfs/dbraw/zinc/03/82/48/926038248.db2.gz ZEWFMLRETCGHRC-UHFFFAOYSA-N -1 3 379.460 3.710 20 0 GHADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000071211045 926385284 /nfs/dbraw/zinc/38/52/84/926385284.db2.gz VHXQMRPBTYUXHC-KCJUWKMLSA-N -1 3 397.132 3.679 20 0 GHADHM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276164900 926401787 /nfs/dbraw/zinc/40/17/87/926401787.db2.gz KUPSUZPWTKFOQT-CWTRNNRKSA-N -1 3 399.318 3.634 20 0 GHADHM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276165121 926410626 /nfs/dbraw/zinc/41/06/26/926410626.db2.gz OREGGZLOBPYBDY-OAHLLOKOSA-N -1 3 397.224 3.828 20 0 GHADHM CC(C)CN1C(=O)C[C@@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276172935 926576837 /nfs/dbraw/zinc/57/68/37/926576837.db2.gz RMZYIMHVHMPRFN-LJQANCHMSA-N -1 3 399.318 3.696 20 0 GHADHM Cc1ccc(-c2nc(COC(=O)CCNC(=O)c3ccc(C)cc3[O-])co2)cc1 ZINC000726207412 926588307 /nfs/dbraw/zinc/58/83/07/926588307.db2.gz VFVQRUYDUREADY-UHFFFAOYSA-N -1 3 394.427 3.527 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000726951287 926953072 /nfs/dbraw/zinc/95/30/72/926953072.db2.gz PHODBNMVIWEIMU-UHFFFAOYSA-N -1 3 393.336 3.552 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC(C)(C)C[C@@H]3C)nc(=O)c2c1C ZINC000412035572 927029801 /nfs/dbraw/zinc/02/98/01/927029801.db2.gz GBEXQGJNWZPERN-CMPLNLGQSA-N -1 3 377.510 3.651 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1)O[C@H](C)C2 ZINC000412057715 927061099 /nfs/dbraw/zinc/06/10/99/927061099.db2.gz RWJKKCBGHBKEKV-LWLIDHTLSA-N -1 3 395.455 3.603 20 0 GHADHM O=c1nc(CN2CC[C@@H]([C@H]3CCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000374408258 927103731 /nfs/dbraw/zinc/10/37/31/927103731.db2.gz YXIBQFNTKROLIY-CABCVRRESA-N -1 3 399.491 3.649 20 0 GHADHM O=c1nc(CN2CCC([C@H]3CCOC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000374598357 927325192 /nfs/dbraw/zinc/32/51/92/927325192.db2.gz WXOGRXJARLSOCI-AWEZNQCLSA-N -1 3 385.489 3.905 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000749959754 927371329 /nfs/dbraw/zinc/37/13/29/927371329.db2.gz PKZKIOHHKDPUJC-FUHWJXTLSA-N -1 3 388.508 3.952 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)s1 ZINC000750166571 927460998 /nfs/dbraw/zinc/46/09/98/927460998.db2.gz YTQWLCFAWIMFNY-UHFFFAOYSA-N -1 3 385.873 3.525 20 0 GHADHM O=C(C(=Cc1ccc(F)cc1)c1cccs1)N1CCc2nc[n-]c(=O)c2C1 ZINC000750712303 927809407 /nfs/dbraw/zinc/80/94/07/927809407.db2.gz AFCBEUFKRAMZFI-GDNBJRDFSA-N -1 3 381.432 3.508 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1csc(-c3ccccn3)n1)OCCO2 ZINC000751203627 928073517 /nfs/dbraw/zinc/07/35/17/928073517.db2.gz XUYIGJUFFMAFOL-UHFFFAOYSA-N -1 3 385.470 3.951 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1c(F)cccc1Cl ZINC000751468722 928207055 /nfs/dbraw/zinc/20/70/55/928207055.db2.gz SXVIFFUWKAOWPS-FUXBKTLASA-N -1 3 384.281 3.594 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1cccc(F)c1 ZINC000751485637 928216912 /nfs/dbraw/zinc/21/69/12/928216912.db2.gz IFMUCEDGPSGHFE-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM O=C(c1ccccc1[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000375425810 928291151 /nfs/dbraw/zinc/29/11/51/928291151.db2.gz HLRCWJPZFKIAQJ-OPAMFIHVSA-N -1 3 375.428 3.636 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)[C@H](O)c3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000751996025 928537161 /nfs/dbraw/zinc/53/71/61/928537161.db2.gz UTEIWIRVCLKWTL-YUNKPMOVSA-N -1 3 396.422 3.540 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1OC ZINC000467075697 928668138 /nfs/dbraw/zinc/66/81/38/928668138.db2.gz PVIQDLJTBGXPEA-UHFFFAOYSA-N -1 3 379.478 3.930 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000752348246 928783368 /nfs/dbraw/zinc/78/33/68/928783368.db2.gz PKHMIMVHRKNFCW-ZDUSSCGKSA-N -1 3 387.361 3.984 20 0 GHADHM CCC(CC)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1cccs1 ZINC000752405101 928813904 /nfs/dbraw/zinc/81/39/04/928813904.db2.gz PEKVUOBLMHFGSC-QGZVFWFLSA-N -1 3 398.525 3.703 20 0 GHADHM CC[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000752572274 928900562 /nfs/dbraw/zinc/90/05/62/928900562.db2.gz BRKXQOPLLDETGY-ZDUSSCGKSA-N -1 3 399.390 3.760 20 0 GHADHM Cc1ncc(CNC(=O)CC(Cc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000544266382 929000573 /nfs/dbraw/zinc/00/05/73/929000573.db2.gz TYUBWXMUGFNIAG-UHFFFAOYSA-N -1 3 375.472 3.599 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000467400485 929036526 /nfs/dbraw/zinc/03/65/26/929036526.db2.gz KRFYULOAICSCOX-UHFFFAOYSA-N -1 3 385.489 3.820 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)c(C)c1 ZINC000753021386 929161427 /nfs/dbraw/zinc/16/14/27/929161427.db2.gz VNWNVQLSSAQVPD-OAQYLSRUSA-N -1 3 382.485 3.889 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000753232232 929264160 /nfs/dbraw/zinc/26/41/60/929264160.db2.gz XKTXXZXCECUAMG-CGTJXYLNSA-N -1 3 388.508 3.720 20 0 GHADHM CN(C)CCN(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1CCCC1 ZINC000544636675 929373596 /nfs/dbraw/zinc/37/35/96/929373596.db2.gz VNJVLZZJYYXFKJ-UHFFFAOYSA-N -1 3 393.944 3.619 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cn2ccnc2s1 ZINC000467897809 929562582 /nfs/dbraw/zinc/56/25/82/929562582.db2.gz IIOAFLKTMXDGER-UHFFFAOYSA-N -1 3 379.829 3.959 20 0 GHADHM COc1cc(C(=O)NC(Cc2ccccc2)Cc2ccccc2)cc(OC)c1[O-] ZINC000545876448 929633605 /nfs/dbraw/zinc/63/36/05/929633605.db2.gz NQJPIPUUOHLIQZ-UHFFFAOYSA-N -1 3 391.467 3.993 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccncc1)Cc1cccnc1 ZINC000469192680 929673914 /nfs/dbraw/zinc/67/39/14/929673914.db2.gz PSQNFWROPVEKLQ-UHFFFAOYSA-N -1 3 379.435 3.873 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccn(Cc2ccccc2)c1=O ZINC000469246369 929729661 /nfs/dbraw/zinc/72/96/61/929729661.db2.gz QSNPOPGHLDUMHY-UHFFFAOYSA-N -1 3 380.419 3.703 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000757605221 929741018 /nfs/dbraw/zinc/74/10/18/929741018.db2.gz VGJILVKJGGHFHH-HNNXBMFYSA-N -1 3 385.464 3.900 20 0 GHADHM C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000757686372 929770964 /nfs/dbraw/zinc/77/09/64/929770964.db2.gz CLJLPUBRGVHTFI-IIBYNOLFSA-N -1 3 390.439 3.953 20 0 GHADHM COc1cccc(N2CCC[C@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000469372420 929828599 /nfs/dbraw/zinc/82/85/99/929828599.db2.gz AOBCTFKUQFDIQM-KRWDZBQOSA-N -1 3 386.467 3.648 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469421622 929871213 /nfs/dbraw/zinc/87/12/13/929871213.db2.gz FCDNAQNSJTUYIQ-AWEZNQCLSA-N -1 3 393.459 3.629 20 0 GHADHM CCCc1c([N-]S(=O)(=O)CCc2ccccc2)cnn1-c1cc(C)ccn1 ZINC000546181022 929933663 /nfs/dbraw/zinc/93/36/63/929933663.db2.gz QEUXJAFGYJYHNM-UHFFFAOYSA-N -1 3 384.505 3.513 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000546228364 929975003 /nfs/dbraw/zinc/97/50/03/929975003.db2.gz ZQYHUYXGBIJYQZ-UHFFFAOYSA-N -1 3 394.250 3.538 20 0 GHADHM CC(C)c1ccc(-c2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)c([O-])c1 ZINC000758296795 930004145 /nfs/dbraw/zinc/00/41/45/930004145.db2.gz GFJKLPBQPQCEBF-OAHLLOKOSA-N -1 3 389.452 3.874 20 0 GHADHM COc1ccc(NCc2ccc(C(F)(F)F)s2)cc1[N-]S(C)(=O)=O ZINC000758385512 930028783 /nfs/dbraw/zinc/02/87/83/930028783.db2.gz YURYTHWSDQADLW-UHFFFAOYSA-N -1 3 380.413 3.759 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)C[C@@H](O)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000758483904 930058913 /nfs/dbraw/zinc/05/89/13/930058913.db2.gz SQZYZZYEFUWRLS-JLTOFOAXSA-N -1 3 392.459 3.791 20 0 GHADHM O=C(Nc1cc(Br)ccc1NC1CC1)c1nnc2ccccc2c1[O-] ZINC000759227192 930314217 /nfs/dbraw/zinc/31/42/17/930314217.db2.gz PJYPVPDDYQGOHZ-UHFFFAOYSA-N -1 3 399.248 3.925 20 0 GHADHM C[C@H](Cc1ccc(Cl)s1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759505146 930388945 /nfs/dbraw/zinc/38/89/45/930388945.db2.gz NEQADYNJUIGHIE-SECBINFHSA-N -1 3 391.873 3.700 20 0 GHADHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cnc2nccnc2c1 ZINC000546751818 930402031 /nfs/dbraw/zinc/40/20/31/930402031.db2.gz VRLVPLAPNOANQX-UHFFFAOYSA-N -1 3 392.488 3.596 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc(Cl)c(Cl)[nH]1 ZINC000759709114 930460926 /nfs/dbraw/zinc/46/09/26/930460926.db2.gz IYLGTUGNUXYWDQ-UHFFFAOYSA-N -1 3 396.999 3.884 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000780445560 930521619 /nfs/dbraw/zinc/52/16/19/930521619.db2.gz NJIOJGQCZFKNRW-OAHLLOKOSA-N -1 3 389.320 3.835 20 0 GHADHM COC(=O)c1cc(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)oc1C ZINC000470555548 930709352 /nfs/dbraw/zinc/70/93/52/930709352.db2.gz IKLBUQHOUAEULS-UHFFFAOYSA-N -1 3 397.836 3.561 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nc2ccccc2n1C ZINC000470563745 930715547 /nfs/dbraw/zinc/71/55/47/930715547.db2.gz NLIGIJTURWKJBY-UHFFFAOYSA-N -1 3 389.864 3.760 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000470606592 930747221 /nfs/dbraw/zinc/74/72/21/930747221.db2.gz NPMVLAMQSCIISA-MAZHCROVSA-N -1 3 383.897 3.877 20 0 GHADHM Cc1cc(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1C(C)C ZINC000781936207 931036537 /nfs/dbraw/zinc/03/65/37/931036537.db2.gz SEPPEDCJWIYAFR-UHFFFAOYSA-N -1 3 382.416 3.996 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCCc2ccccc2)c1 ZINC000557428435 931421733 /nfs/dbraw/zinc/42/17/33/931421733.db2.gz RCPHMXCKCITUEF-MRXNPFEDSA-N -1 3 378.350 3.685 20 0 GHADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783642064 931604703 /nfs/dbraw/zinc/60/47/03/931604703.db2.gz MYJALPNRHLDFNM-UHFFFAOYSA-N -1 3 395.415 3.784 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)cc2C1 ZINC000783862743 931696500 /nfs/dbraw/zinc/69/65/00/931696500.db2.gz OFBZVSWAKCGKJM-GOSISDBHSA-N -1 3 375.490 3.697 20 0 GHADHM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1 ZINC000783868041 931699068 /nfs/dbraw/zinc/69/90/68/931699068.db2.gz ZWJBPJBBLPIMKK-IBGZPJMESA-N -1 3 375.490 3.636 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783902602 931710045 /nfs/dbraw/zinc/71/00/45/931710045.db2.gz IBONMHGGZFYFEA-LBPRGKRZSA-N -1 3 384.363 3.534 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc(OC)c1[O-] ZINC000784360520 931867781 /nfs/dbraw/zinc/86/77/81/931867781.db2.gz LGRDSTUJXLJSMB-JTQLQIEISA-N -1 3 388.351 3.517 20 0 GHADHM O=C(CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1)[N-]OCc1ccccc1 ZINC000784481930 931909633 /nfs/dbraw/zinc/90/96/33/931909633.db2.gz FVDWDOKVXNIQMD-KRWDZBQOSA-N -1 3 378.394 3.743 20 0 GHADHM CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000796704841 932036611 /nfs/dbraw/zinc/03/66/11/932036611.db2.gz BVHQQNWYUGPEFL-AWEZNQCLSA-N -1 3 398.463 3.571 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cc(Cl)ccc1Br ZINC000797441651 932286841 /nfs/dbraw/zinc/28/68/41/932286841.db2.gz AODSTBAXJNBVNC-LURJTMIESA-N -1 3 393.517 3.575 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(Cc4cccs4)C3)cc2)cc(=O)[n-]1 ZINC000626293430 932292074 /nfs/dbraw/zinc/29/20/74/932292074.db2.gz CNCFKTRUJJYBGG-UHFFFAOYSA-N -1 3 380.473 3.926 20 0 GHADHM CCCC[C@@H](CCC)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798434519 932646181 /nfs/dbraw/zinc/64/61/81/932646181.db2.gz VLADAMYPXVCCQM-CQSZACIVSA-N -1 3 379.467 3.693 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(F)c1Br ZINC000559489642 932703127 /nfs/dbraw/zinc/70/31/27/932703127.db2.gz JTJPGDYNPUPRPK-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(F)c1Br ZINC000559489642 932703133 /nfs/dbraw/zinc/70/31/33/932703133.db2.gz JTJPGDYNPUPRPK-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000560518724 933308028 /nfs/dbraw/zinc/30/80/28/933308028.db2.gz WMCONZWUOWPVRY-QGZVFWFLSA-N -1 3 388.458 3.774 20 0 GHADHM COC(=O)[C@@H](OC(=O)c1cccc(Br)c1[O-])c1ccccc1Cl ZINC001116092113 933330598 /nfs/dbraw/zinc/33/05/98/933330598.db2.gz AIPIRPWDOMNPMT-AWEZNQCLSA-N -1 3 399.624 3.879 20 0 GHADHM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1ccc(Br)s1 ZINC001116225236 933416104 /nfs/dbraw/zinc/41/61/04/933416104.db2.gz AJCJBUASUGBZIB-UHFFFAOYSA-N -1 3 394.356 3.528 20 0 GHADHM CC[C@@H](OC(=O)CCc1c(C)nc[n-]c1=O)c1ccc(Br)cc1 ZINC001116275527 933451641 /nfs/dbraw/zinc/45/16/41/933451641.db2.gz USOWJDCSBWGCEK-OAHLLOKOSA-N -1 3 379.254 3.880 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000777816786 933613861 /nfs/dbraw/zinc/61/38/61/933613861.db2.gz VAVRUNBWEAEQAC-AWEZNQCLSA-N -1 3 382.851 3.851 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001116567252 933637841 /nfs/dbraw/zinc/63/78/41/933637841.db2.gz CGJMSUPWOYKAIK-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(OCC(F)(F)F)n1 ZINC001116831240 933782701 /nfs/dbraw/zinc/78/27/01/933782701.db2.gz RKSUTBUKZFGDPE-UHFFFAOYSA-N -1 3 386.345 3.507 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1C(F)(F)F ZINC000561469684 934193921 /nfs/dbraw/zinc/19/39/21/934193921.db2.gz NVDZGYMLXLFJRJ-ZJUUUORDSA-N -1 3 390.349 3.747 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC001118635191 934214254 /nfs/dbraw/zinc/21/42/54/934214254.db2.gz WRDJMAUYWBFSTE-IBGZPJMESA-N -1 3 382.485 3.702 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC(C)C)cc2)s1 ZINC000561505318 934221722 /nfs/dbraw/zinc/22/17/22/934221722.db2.gz MUYVTVUEECVUNY-NSHDSACASA-N -1 3 399.563 3.642 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC1(Cl)Cl)c1ccc(C(F)(F)F)nc1Cl ZINC001118804948 934251895 /nfs/dbraw/zinc/25/18/95/934251895.db2.gz KBGLLVSHYSMNEF-LURJTMIESA-N -1 3 397.633 3.616 20 0 GHADHM C[C@H]1CCc2c(sc3nc(CCC(=O)[N-]OC4CCCCC4)[nH]c(=O)c23)C1 ZINC000777949446 934323572 /nfs/dbraw/zinc/32/35/72/934323572.db2.gz MEFHTRBRQYZGIR-LBPRGKRZSA-N -1 3 389.521 3.835 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccn1 ZINC001119599958 934372043 /nfs/dbraw/zinc/37/20/43/934372043.db2.gz PVDUYMBDUHQYJG-AWEZNQCLSA-N -1 3 387.274 3.659 20 0 GHADHM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777977030 934439946 /nfs/dbraw/zinc/43/99/46/934439946.db2.gz DLNYNKHVUKLMAH-SNVBAGLBSA-N -1 3 375.277 3.827 20 0 GHADHM CCC(CC)(C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(OC)c(OC)c1 ZINC001121237406 934598149 /nfs/dbraw/zinc/59/81/49/934598149.db2.gz MIGMXIFSPGABJD-UHFFFAOYSA-N -1 3 384.436 3.778 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N(C)C(C)C)cc1 ZINC000931617728 934646710 /nfs/dbraw/zinc/64/67/10/934646710.db2.gz NBACKWHOBUMZTC-UHFFFAOYSA-N -1 3 375.494 3.976 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccco1)Cc1cccs1 ZINC001121666169 934732444 /nfs/dbraw/zinc/73/24/44/934732444.db2.gz LGIYAKFAWRWJNZ-UHFFFAOYSA-N -1 3 396.476 3.630 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@@H](c4ccccc4)C[C@@H]3C)n2CC2CC2)cc(=O)[n-]1 ZINC001123518360 935215456 /nfs/dbraw/zinc/21/54/56/935215456.db2.gz GVUMIZIPGVCTNF-KSSFIOAISA-N -1 3 390.491 3.542 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)C2)n1 ZINC001123913868 935319154 /nfs/dbraw/zinc/31/91/54/935319154.db2.gz MEKQXLPFHNKTTN-RBUPGGENSA-N -1 3 398.551 3.572 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H](C)c3ccc4ccccc4c3)C2)n1 ZINC001123998542 935328224 /nfs/dbraw/zinc/32/82/24/935328224.db2.gz CTQFUSXNEOJNMJ-UZLBHIALSA-N -1 3 390.487 3.533 20 0 GHADHM CCC1(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCCC1 ZINC001137539361 935569738 /nfs/dbraw/zinc/56/97/38/935569738.db2.gz YQZALZJWXKKNMD-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM CCCc1ccc(CCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001137598505 935613575 /nfs/dbraw/zinc/61/35/75/935613575.db2.gz MOBBSAQALSVLBL-MRXNPFEDSA-N -1 3 378.513 3.923 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000829767274 935858230 /nfs/dbraw/zinc/85/82/30/935858230.db2.gz GJFOWJYUHYAFCC-CYBMUJFWSA-N -1 3 387.386 3.638 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)[N-]OCC(F)(F)F)c1Cl ZINC000830447592 935947259 /nfs/dbraw/zinc/94/72/59/935947259.db2.gz CZHNAAKBNCXUHB-UHFFFAOYSA-N -1 3 382.766 3.840 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])cc1C ZINC000908884810 939345075 /nfs/dbraw/zinc/34/50/75/939345075.db2.gz PSCGVAHVNYKTHF-WMQCIHAUSA-N -1 3 395.503 3.564 20 0 GHADHM CCC1CCC(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908885527 939345689 /nfs/dbraw/zinc/34/56/89/939345689.db2.gz ZWXQNFNXPGZADC-JPNCZVRGSA-N -1 3 387.524 3.545 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)NC2(C(=O)[O-])CCCCCC2)N2CCCC2)cc1 ZINC000908898246 939347393 /nfs/dbraw/zinc/34/73/93/939347393.db2.gz FINLPDJTCXWWBP-LJQANCHMSA-N -1 3 387.524 3.609 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(Cl)sc1Cl ZINC001573551033 946867068 /nfs/dbraw/zinc/86/70/68/946867068.db2.gz GHYLBEGCOSDOGQ-UHFFFAOYSA-N -1 3 382.232 3.690 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(Cl)sc1Cl ZINC001573551033 946867079 /nfs/dbraw/zinc/86/70/79/946867079.db2.gz GHYLBEGCOSDOGQ-UHFFFAOYSA-N -1 3 382.232 3.690 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573364690 947724495 /nfs/dbraw/zinc/72/44/95/947724495.db2.gz IRRTZFGOFGWRJM-RAXLEYEMSA-N -1 3 388.387 3.689 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573364690 947724504 /nfs/dbraw/zinc/72/45/04/947724504.db2.gz IRRTZFGOFGWRJM-RAXLEYEMSA-N -1 3 388.387 3.689 20 0 GHADHM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573365124 947729631 /nfs/dbraw/zinc/72/96/31/947729631.db2.gz LEGJLPXGMRLZFZ-QBFSEMIESA-N -1 3 378.436 3.985 20 0 GHADHM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573365124 947729637 /nfs/dbraw/zinc/72/96/37/947729637.db2.gz LEGJLPXGMRLZFZ-QBFSEMIESA-N -1 3 378.436 3.985 20 0 GHADHM CC(=O)CCCC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573384460 947904807 /nfs/dbraw/zinc/90/48/07/947904807.db2.gz NUXQYIBZXRZTOA-UHFFFAOYSA-N -1 3 381.461 3.716 20 0 GHADHM CC(=O)CCCC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573384460 947904817 /nfs/dbraw/zinc/90/48/17/947904817.db2.gz NUXQYIBZXRZTOA-UHFFFAOYSA-N -1 3 381.461 3.716 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1Br)c1cccc(F)c1 ZINC001573756176 948801824 /nfs/dbraw/zinc/80/18/24/948801824.db2.gz MZKIIOVELNIVHW-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1Br)c1cccc(F)c1 ZINC001573756176 948801839 /nfs/dbraw/zinc/80/18/39/948801839.db2.gz MZKIIOVELNIVHW-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1cn(C)c2ccccc12 ZINC001573757214 948830626 /nfs/dbraw/zinc/83/06/26/948830626.db2.gz YSCTYWBEEXMHLG-CYBMUJFWSA-N -1 3 386.459 3.978 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1cn(C)c2ccccc12 ZINC001573757214 948830638 /nfs/dbraw/zinc/83/06/38/948830638.db2.gz YSCTYWBEEXMHLG-CYBMUJFWSA-N -1 3 386.459 3.978 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091454 949013752 /nfs/dbraw/zinc/01/37/52/949013752.db2.gz NJIQQUBCZMBGAX-UWVAXJGDSA-N -1 3 399.539 3.991 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091454 949013769 /nfs/dbraw/zinc/01/37/69/949013769.db2.gz NJIQQUBCZMBGAX-UWVAXJGDSA-N -1 3 399.539 3.991 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001575502193 949018585 /nfs/dbraw/zinc/01/85/85/949018585.db2.gz IITSWEMIQKOTEX-ZDUSSCGKSA-N -1 3 397.479 3.678 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001575502193 949018608 /nfs/dbraw/zinc/01/86/08/949018608.db2.gz IITSWEMIQKOTEX-ZDUSSCGKSA-N -1 3 397.479 3.678 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001575504885 949094310 /nfs/dbraw/zinc/09/43/10/949094310.db2.gz WAMUUHQKQINJLO-QKYXUNIQSA-N -1 3 375.476 3.970 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001575504885 949094334 /nfs/dbraw/zinc/09/43/34/949094334.db2.gz WAMUUHQKQINJLO-QKYXUNIQSA-N -1 3 375.476 3.970 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575512835 949140892 /nfs/dbraw/zinc/14/08/92/949140892.db2.gz PNVWOPKRFLNKRJ-LLVKDONJSA-N -1 3 391.809 3.832 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575512835 949140906 /nfs/dbraw/zinc/14/09/06/949140906.db2.gz PNVWOPKRFLNKRJ-LLVKDONJSA-N -1 3 391.809 3.832 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001575512538 949143828 /nfs/dbraw/zinc/14/38/28/949143828.db2.gz OBBQSIGIFSSMTO-SNVBAGLBSA-N -1 3 375.354 3.777 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001575512538 949143841 /nfs/dbraw/zinc/14/38/41/949143841.db2.gz OBBQSIGIFSSMTO-SNVBAGLBSA-N -1 3 375.354 3.777 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001575856531 949249360 /nfs/dbraw/zinc/24/93/60/949249360.db2.gz GRDBEICENJBMOC-UHFFFAOYSA-N -1 3 379.439 3.636 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001575856531 949249383 /nfs/dbraw/zinc/24/93/83/949249383.db2.gz GRDBEICENJBMOC-UHFFFAOYSA-N -1 3 379.439 3.636 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001575857866 949276664 /nfs/dbraw/zinc/27/66/64/949276664.db2.gz WZEBMGDKBNKRTO-CXAGYDPISA-N -1 3 388.244 3.910 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001575857866 949276680 /nfs/dbraw/zinc/27/66/80/949276680.db2.gz WZEBMGDKBNKRTO-CXAGYDPISA-N -1 3 388.244 3.910 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589612531 949335357 /nfs/dbraw/zinc/33/53/57/949335357.db2.gz RQWILZRVGHLKKY-CGTJXYLNSA-N -1 3 378.513 3.606 20 0 GHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001576173790 949845573 /nfs/dbraw/zinc/84/55/73/949845573.db2.gz YZCXDVKPUAQTJT-CXAGYDPISA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001576173790 949845603 /nfs/dbraw/zinc/84/56/03/949845603.db2.gz YZCXDVKPUAQTJT-CXAGYDPISA-N -1 3 378.436 3.819 20 0 GHADHM CC(C)(C)C1CC(C(=O)OCc2cc(Br)cc(-c3nnn[n-]3)c2)C1 ZINC001573825295 949872931 /nfs/dbraw/zinc/87/29/31/949872931.db2.gz QODNMVLNRNAQNP-UHFFFAOYSA-N -1 3 393.285 3.745 20 0 GHADHM CC(C)(C)C1CC(C(=O)OCc2cc(Br)cc(-c3nn[n-]n3)c2)C1 ZINC001573825295 949872952 /nfs/dbraw/zinc/87/29/52/949872952.db2.gz QODNMVLNRNAQNP-UHFFFAOYSA-N -1 3 393.285 3.745 20 0 GHADHM CC(C)(C)CN1CCC[C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC001573846268 950243709 /nfs/dbraw/zinc/24/37/09/950243709.db2.gz PYQDAMZDXNJQNY-AWEZNQCLSA-N -1 3 379.917 3.649 20 0 GHADHM CC(C)(C)CN1CCC[C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC001573846268 950243727 /nfs/dbraw/zinc/24/37/27/950243727.db2.gz PYQDAMZDXNJQNY-AWEZNQCLSA-N -1 3 379.917 3.649 20 0 GHADHM CC(C)C[C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC001574168156 950507782 /nfs/dbraw/zinc/50/77/82/950507782.db2.gz QITXMQXDUJTGKN-APWZRJJASA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)C[C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC001574168156 950507798 /nfs/dbraw/zinc/50/77/98/950507798.db2.gz QITXMQXDUJTGKN-APWZRJJASA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2ccccc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573880415 950744913 /nfs/dbraw/zinc/74/49/13/950744913.db2.gz ZVOWCMVXEKKNTG-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC001573883981 950775955 /nfs/dbraw/zinc/77/59/55/950775955.db2.gz AAQSDUJEIUMLAL-UHFFFAOYSA-N -1 3 392.435 3.826 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC001573883981 950775968 /nfs/dbraw/zinc/77/59/68/950775968.db2.gz AAQSDUJEIUMLAL-UHFFFAOYSA-N -1 3 392.435 3.826 20 0 GHADHM CC1(C)CC(C)(C)c2cc(NC(=O)COc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC001575632014 950784587 /nfs/dbraw/zinc/78/45/87/950784587.db2.gz YFNJYZPPAQEKTR-UHFFFAOYSA-N -1 3 391.475 3.843 20 0 GHADHM CC1(C)CC(C)(C)c2cc(NC(=O)COc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC001575632014 950784604 /nfs/dbraw/zinc/78/46/04/950784604.db2.gz YFNJYZPPAQEKTR-UHFFFAOYSA-N -1 3 391.475 3.843 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cn4ccccc4n3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576220296 950830038 /nfs/dbraw/zinc/83/00/38/950830038.db2.gz WZWNZZJDXFRVFN-GHMZBOCLSA-N -1 3 393.476 3.514 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cn4ccccc4n3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576220296 950830061 /nfs/dbraw/zinc/83/00/61/950830061.db2.gz WZWNZZJDXFRVFN-GHMZBOCLSA-N -1 3 393.476 3.514 20 0 GHADHM CC1(C)C[C@@H](CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638971 950848705 /nfs/dbraw/zinc/84/87/05/950848705.db2.gz KXJNKIOGESXPMF-KBPBESRZSA-N -1 3 383.418 3.653 20 0 GHADHM CC1(C)C[C@@H](CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638971 950848723 /nfs/dbraw/zinc/84/87/23/950848723.db2.gz KXJNKIOGESXPMF-KBPBESRZSA-N -1 3 383.418 3.653 20 0 GHADHM C[C@@H](CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1)c1ccc(F)cc1 ZINC001575164459 952294028 /nfs/dbraw/zinc/29/40/28/952294028.db2.gz LMTVIYJEPVTRBO-ZDUSSCGKSA-N -1 3 391.410 3.804 20 0 GHADHM C[C@@H](CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1)c1ccc(F)cc1 ZINC001575164459 952294036 /nfs/dbraw/zinc/29/40/36/952294036.db2.gz LMTVIYJEPVTRBO-ZDUSSCGKSA-N -1 3 391.410 3.804 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001575185492 952432944 /nfs/dbraw/zinc/43/29/44/952432944.db2.gz RGBGGXAYRPJJRW-INIZCTEOSA-N -1 3 387.487 3.904 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001575185492 952432945 /nfs/dbraw/zinc/43/29/45/952432945.db2.gz RGBGGXAYRPJJRW-INIZCTEOSA-N -1 3 387.487 3.904 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001575185556 952433945 /nfs/dbraw/zinc/43/39/45/952433945.db2.gz SIDQACZQEWPQFD-ZIAGYGMSSA-N -1 3 383.883 3.918 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001575185556 952433949 /nfs/dbraw/zinc/43/39/49/952433949.db2.gz SIDQACZQEWPQFD-ZIAGYGMSSA-N -1 3 383.883 3.918 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575185555 952433993 /nfs/dbraw/zinc/43/39/93/952433993.db2.gz SIDQACZQEWPQFD-UONOGXRCSA-N -1 3 383.883 3.918 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575185555 952433998 /nfs/dbraw/zinc/43/39/98/952433998.db2.gz SIDQACZQEWPQFD-UONOGXRCSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC001575189737 952458934 /nfs/dbraw/zinc/45/89/34/952458934.db2.gz PZHXICXMSMBDJP-DYESRHJHSA-N -1 3 391.519 3.676 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001575189737 952458937 /nfs/dbraw/zinc/45/89/37/952458937.db2.gz PZHXICXMSMBDJP-DYESRHJHSA-N -1 3 391.519 3.676 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 ZINC001575190105 952461568 /nfs/dbraw/zinc/46/15/68/952461568.db2.gz RAZDGNIRSWRRCW-LIRRHRJNSA-N -1 3 392.459 3.891 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 ZINC001575190105 952461571 /nfs/dbraw/zinc/46/15/71/952461571.db2.gz RAZDGNIRSWRRCW-LIRRHRJNSA-N -1 3 392.459 3.891 20 0 GHADHM C/C(Cl)=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001575207177 952531768 /nfs/dbraw/zinc/53/17/68/952531768.db2.gz OJGWOVUJIMNBQL-LCYFTJDESA-N -1 3 383.839 3.835 20 0 GHADHM C/C(Cl)=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001575207177 952531773 /nfs/dbraw/zinc/53/17/73/952531773.db2.gz OJGWOVUJIMNBQL-LCYFTJDESA-N -1 3 383.839 3.835 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000389806197 972247391 /nfs/dbraw/zinc/24/73/91/972247391.db2.gz BZQZNUIYBUPAQV-FZKQIMNGSA-N -1 3 387.867 3.680 20 0 GHADHM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001349876078 962486524 /nfs/dbraw/zinc/48/65/24/962486524.db2.gz VYQXXPCCERDERP-SBUREZEXSA-N -1 3 398.478 3.555 20 0 GHADHM C[C@@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314850255 963820539 /nfs/dbraw/zinc/82/05/39/963820539.db2.gz WRNFPTWDHUUCGS-XIKOKIGWSA-N -1 3 383.514 3.529 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)CN3CC[C@](C)(C(=O)[O-])C3)ccc21 ZINC001604006977 974512682 /nfs/dbraw/zinc/51/26/82/974512682.db2.gz WZXBUAPIMOGCOF-QFIPXVFZSA-N -1 3 379.460 3.550 20 0 GHADHM O=C([N-]OC1CCCC1)c1c(Cl)ccc(I)c1F ZINC001152463764 1031251166 /nfs/dbraw/zinc/25/11/66/1031251166.db2.gz BCOINUBAPZNXRE-UHFFFAOYSA-N -1 3 383.588 3.688 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC001595057146 979296423 /nfs/dbraw/zinc/29/64/23/979296423.db2.gz WPWGWFXHGYPKME-UHFFFAOYSA-N -1 3 389.521 3.756 20 0 GHADHM CC[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595301373 980437534 /nfs/dbraw/zinc/43/75/34/980437534.db2.gz YHACACQKFZIMFX-GQIGUUNPSA-N -1 3 383.492 3.634 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)c1nc(-c2cccnc2)no1 ZINC000914040708 1014755840 /nfs/dbraw/zinc/75/58/40/1014755840.db2.gz MUTDABGQAZCSGN-INIZCTEOSA-N -1 3 392.525 3.574 20 0 GHADHM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596150509 983510159 /nfs/dbraw/zinc/51/01/59/983510159.db2.gz JLESXIBBACSVKK-MRXNPFEDSA-N -1 3 387.505 3.883 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1C)c1cccc(OC)c1 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FESSGAANIPFPLL-NWLLBJEDSA-N -1 3 384.520 3.535 20 0 GHADHM CCOc1cc(CN2CC[C@@H](CF)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030592 986445735 /nfs/dbraw/zinc/44/57/35/986445735.db2.gz FYUHZEGZIDAEFD-HNNXBMFYSA-N -1 3 377.412 3.747 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2c(C)cc(C(C)(C)C)cc2C)no1 ZINC000544937743 1015241856 /nfs/dbraw/zinc/24/18/56/1015241856.db2.gz SIOOYSDHKBRKSV-UHFFFAOYSA-N -1 3 393.553 3.794 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C)CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001589854937 988394451 /nfs/dbraw/zinc/39/44/51/988394451.db2.gz KTUNWSRCEQOQOK-KSSFIOAISA-N -1 3 387.398 3.885 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C)CCN([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001589855562 988400268 /nfs/dbraw/zinc/40/02/68/988400268.db2.gz VPMAFMMBVVGPQX-KDOFPFPSSA-N -1 3 398.297 3.629 20 0 GHADHM CSc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1C(=O)[O-] ZINC001599817107 988445972 /nfs/dbraw/zinc/44/59/72/988445972.db2.gz QQJJVZCSJHHPTN-UHFFFAOYSA-N -1 3 387.505 3.702 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001589973859 988821375 /nfs/dbraw/zinc/82/13/75/988821375.db2.gz LHVIVZDJCVVZRE-LJQANCHMSA-N -1 3 388.508 3.708 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001597762654 989198700 /nfs/dbraw/zinc/19/87/00/989198700.db2.gz IHZRXUKYJZFCRX-HIFRSBDPSA-N -1 3 380.485 3.523 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598228606 990922429 /nfs/dbraw/zinc/92/24/29/990922429.db2.gz LUQSQQCWJXIPFA-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM CC(C)[C@](C)(NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-])C(N)=O ZINC001590967296 991077795 /nfs/dbraw/zinc/07/77/95/991077795.db2.gz QSQWRXSJHHIDKS-QHCPKHFHSA-N -1 3 391.471 3.590 20 0 GHADHM CN(C)c1cc(NCc2c3ccccc3[nH]c2C(=O)[O-])ncc1Br ZINC001598307883 991278757 /nfs/dbraw/zinc/27/87/57/991278757.db2.gz OXVJRBIDBLZJCV-UHFFFAOYSA-N -1 3 389.253 3.702 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001598482741 992177213 /nfs/dbraw/zinc/17/72/13/992177213.db2.gz ABKSKFMBTPPKFG-QXMHVHEDSA-N -1 3 397.450 3.982 20 0 GHADHM CN(CCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598491066 992292915 /nfs/dbraw/zinc/29/29/15/992292915.db2.gz PQYVVMQVMDQRRG-UHFFFAOYSA-N -1 3 377.444 3.792 20 0 GHADHM CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598555775 993054961 /nfs/dbraw/zinc/05/49/61/993054961.db2.gz BNNIMYUYNCXGJJ-LJQANCHMSA-N -1 3 376.412 3.561 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000468519816 1015772177 /nfs/dbraw/zinc/77/21/77/1015772177.db2.gz UUUXQOGORGWKRR-UHFFFAOYSA-N -1 3 399.466 3.667 20 0 GHADHM CN1CCN(C(=O)Nc2cccc([C@@H]3CCCC(C)(C)C3)c2)C[C@H](C(=O)[O-])C1 ZINC001598609291 993735934 /nfs/dbraw/zinc/73/59/34/993735934.db2.gz RQFVLQAILZAXNP-QZTJIDSGSA-N -1 3 387.524 3.851 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC001593118074 993823245 /nfs/dbraw/zinc/82/32/45/993823245.db2.gz ZXCIBCYAONJQEZ-KXBFYZLASA-N -1 3 383.492 3.862 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(I)cc1[O-] ZINC001138175066 1015829225 /nfs/dbraw/zinc/82/92/25/1015829225.db2.gz GAYJDQCBZLABHV-UHFFFAOYSA-N -1 3 393.180 3.924 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC001599655344 994569092 /nfs/dbraw/zinc/56/90/92/994569092.db2.gz KCMFESXHJMCXOV-QHCPKHFHSA-N -1 3 395.455 3.898 20 0 GHADHM C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cc(C(=O)[O-])cs1 ZINC001593299789 994724682 /nfs/dbraw/zinc/72/46/82/994724682.db2.gz WFBFBYQCAPNMJI-ZDUSSCGKSA-N -1 3 381.457 3.944 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1)C(=O)[O-] ZINC001593617452 995851894 /nfs/dbraw/zinc/85/18/94/995851894.db2.gz IQIGFFSBEZPMST-KDOFPFPSSA-N -1 3 375.490 3.594 20 0 GHADHM C[C@H](Oc1ccccc1CN1CCC2(CC1)OCCc1ccsc12)C(=O)[O-] ZINC001593645385 995973726 /nfs/dbraw/zinc/97/37/26/995973726.db2.gz RWJZERBALIBZGI-HNNXBMFYSA-N -1 3 387.501 3.664 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CCCO)Cc1cccc(Cl)c1 ZINC000468754877 1015997724 /nfs/dbraw/zinc/99/77/24/1015997724.db2.gz AGWGDUSMHFJBRQ-UHFFFAOYSA-N -1 3 379.859 3.919 20 0 GHADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001593699564 996170996 /nfs/dbraw/zinc/17/09/96/996170996.db2.gz OCEWFGREBPDELR-PWFNWSNSSA-N -1 3 382.485 3.863 20 0 GHADHM C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001593714093 996227751 /nfs/dbraw/zinc/22/77/51/996227751.db2.gz SPEYDTZHUSGSKA-QGZVFWFLSA-N -1 3 375.472 3.812 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)cc1 ZINC000545551157 1016025129 /nfs/dbraw/zinc/02/51/29/1016025129.db2.gz TXHCHVTUHSPLII-UHFFFAOYSA-N -1 3 397.378 3.718 20 0 GHADHM CC1(C)CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001593939863 996939002 /nfs/dbraw/zinc/93/90/02/996939002.db2.gz ZSZWNGLGYYJDHE-RAXLEYEMSA-N -1 3 394.515 3.760 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(n2c(C)nc3ccccc32)CC1 ZINC001599499682 997092026 /nfs/dbraw/zinc/09/20/26/997092026.db2.gz GAVKVTRVZHJNKE-UHFFFAOYSA-N -1 3 379.460 3.889 20 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/nfs/dbraw/zinc/54/81/58/998548158.db2.gz MEZNXPMJHFFZLW-UHFFFAOYSA-N -1 3 398.297 3.751 20 0 GHADHM COC(=O)c1cccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)c1 ZINC001598991090 998738079 /nfs/dbraw/zinc/73/80/79/998738079.db2.gz ASJYALKRDUTSNZ-UHFFFAOYSA-N -1 3 376.478 3.529 20 0 GHADHM C[C@H]1[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001594190665 998741722 /nfs/dbraw/zinc/74/17/22/998741722.db2.gz LCVNEQXQILCUOK-LIRRHRJNSA-N -1 3 392.459 3.651 20 0 GHADHM COC(=O)c1cccc([C@H](N[C@H]2CCCc3c(F)cc(F)cc32)C(=O)[O-])c1 ZINC001598996452 998784281 /nfs/dbraw/zinc/78/42/81/998784281.db2.gz RNUZYLVUUCAVMO-ROUUACIJSA-N -1 3 375.371 3.544 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@H](C)C(C)(C)C)no2)cc1 ZINC000545736209 1016316340 /nfs/dbraw/zinc/31/63/40/1016316340.db2.gz YYXAHJUYBFPMTB-ZDUSSCGKSA-N -1 3 381.498 3.948 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC000468993718 1016317999 /nfs/dbraw/zinc/31/79/99/1016317999.db2.gz QPLYOYITMHVPGJ-GOSISDBHSA-N -1 3 393.480 3.637 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2cccs2)CC1 ZINC001594421785 999570617 /nfs/dbraw/zinc/57/06/17/999570617.db2.gz BNBQWSIONQXHEM-GVDBMIGSSA-N -1 3 378.538 3.528 20 0 GHADHM C[C@H](c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1)N1CCOCC1 ZINC000469026913 1016350999 /nfs/dbraw/zinc/35/09/99/1016350999.db2.gz UATRPXBRILIAFK-MRXNPFEDSA-N -1 3 386.467 3.886 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001226901320 1032185215 /nfs/dbraw/zinc/18/52/15/1032185215.db2.gz FNKISHJWYHVZHH-UONOGXRCSA-N -1 3 381.402 3.739 20 0 GHADHM COc1ccc2cc([O-])c(C(=O)N3CCN4CCc5ccccc5[C@H]4C3)cc2c1 ZINC001154753645 1032270838 /nfs/dbraw/zinc/27/08/38/1032270838.db2.gz QAMCWMLPDANTMJ-JOCHJYFZSA-N -1 3 388.467 3.609 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001154809171 1032292353 /nfs/dbraw/zinc/29/23/53/1032292353.db2.gz RMPRJGSAYDCSGF-INIZCTEOSA-N -1 3 398.203 3.647 20 0 GHADHM CC(C)(C)OC(=O)n1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc2ccccc21 ZINC001154882772 1032325917 /nfs/dbraw/zinc/32/59/17/1032325917.db2.gz FICMGMXKZPAHQE-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM CC(C)(C)OC(=O)n1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC001154882772 1032325927 /nfs/dbraw/zinc/32/59/27/1032325927.db2.gz FICMGMXKZPAHQE-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM [O-]c1cccc(OC[C@@H]2CCc3ccccc3O2)c1I ZINC001227376175 1032395047 /nfs/dbraw/zinc/39/50/47/1032395047.db2.gz QSAISZUZPHRSBC-LBPRGKRZSA-N -1 3 382.197 3.769 20 0 GHADHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1c([O-])cc(Br)cc1F ZINC001227586613 1032474737 /nfs/dbraw/zinc/47/47/37/1032474737.db2.gz BTHHQKOFGMNVPI-CQSZACIVSA-N -1 3 397.244 3.635 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1c([O-])cc(Br)cc1F ZINC001227583504 1032472984 /nfs/dbraw/zinc/47/29/84/1032472984.db2.gz MFUAWQKGIRWSOW-NOZJJQNGSA-N -1 3 390.249 3.928 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3[nH]c(=S)nc4nc[n-]c43)CC2)cc1 ZINC001227613516 1032486048 /nfs/dbraw/zinc/48/60/48/1032486048.db2.gz WATOPMSUYGLWBF-UHFFFAOYSA-N -1 3 395.410 3.708 20 0 GHADHM CCc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c([O-])c1 ZINC001155325073 1032504846 /nfs/dbraw/zinc/50/48/46/1032504846.db2.gz GITCIOXZWJBMAS-AWEZNQCLSA-N -1 3 398.450 3.577 20 0 GHADHM O=C(Nc1cc2ccccc2cc1[O-])c1nnc2ccc(Br)cn21 ZINC001155687787 1032640430 /nfs/dbraw/zinc/64/04/30/1032640430.db2.gz ZGKVPTJKHOUNCZ-UHFFFAOYSA-N -1 3 383.205 3.603 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)OCCc2sccc21 ZINC000558484233 1017211374 /nfs/dbraw/zinc/21/13/74/1017211374.db2.gz UYUGQZPCBHXKLV-HNNXBMFYSA-N -1 3 392.329 3.821 20 0 GHADHM COc1cc([C@H](NC(=O)c2c(C)cccc2[O-])C(F)(F)F)cc(OC)c1OC ZINC000626390312 1017583532 /nfs/dbraw/zinc/58/35/32/1017583532.db2.gz DPZKMBQYPZCJJM-KRWDZBQOSA-N -1 3 399.365 3.760 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(c3nc4c(s3)CCC4)CC2)o1 ZINC000932617656 1018532371 /nfs/dbraw/zinc/53/23/71/1018532371.db2.gz RZILFNIPFFBNAH-UHFFFAOYSA-N -1 3 382.489 3.767 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cc(OCC(F)F)ccn2)no1 ZINC000567654014 1019325379 /nfs/dbraw/zinc/32/53/79/1019325379.db2.gz QZRLZMWCBAPGMS-UHFFFAOYSA-N -1 3 398.728 3.820 20 0 GHADHM O=C(CCSc1ccccc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000570333829 1019585697 /nfs/dbraw/zinc/58/56/97/1019585697.db2.gz YGKBXKADHWFNIY-CYBMUJFWSA-N -1 3 396.310 3.567 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)CCCCC2=O ZINC000578927184 1020372188 /nfs/dbraw/zinc/37/21/88/1020372188.db2.gz SCSHOJCNTMFIKT-UHFFFAOYSA-N -1 3 388.261 3.994 20 0 GHADHM O=S(=O)([N-]CCCc1cccs1)c1c(F)cccc1OC(F)(F)F ZINC000579267832 1020398437 /nfs/dbraw/zinc/39/84/37/1020398437.db2.gz YZIMPWUIQFGKPH-UHFFFAOYSA-N -1 3 383.388 3.697 20 0 GHADHM COc1cc(CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C2CC2)ccc1O ZINC000191511606 1020778409 /nfs/dbraw/zinc/77/84/09/1020778409.db2.gz FZOPZSUUNHQLFD-UHFFFAOYSA-N -1 3 378.812 3.833 20 0 GHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000630026510 1020792644 /nfs/dbraw/zinc/79/26/44/1020792644.db2.gz GWOIGZIXGJYUST-UHFFFAOYSA-N -1 3 394.393 3.578 20 0 GHADHM CN1CCC[C@@H](CNc2ncc(C(=O)[O-])s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000630459095 1020824912 /nfs/dbraw/zinc/82/49/12/1020824912.db2.gz YNCKQVSIOVMLHL-WFASDCNBSA-N -1 3 399.438 3.777 20 0 GHADHM CCc1c(=O)n(C2=N[C@@H]3CCCC[C@H]3N2)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634635728 1020954006 /nfs/dbraw/zinc/95/40/06/1020954006.db2.gz LTFUEWHGCVYKGX-RRFJBIMHSA-N -1 3 378.398 3.548 20 0 GHADHM CCCc1sc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1CC ZINC001140273294 1021298477 /nfs/dbraw/zinc/29/84/77/1021298477.db2.gz VZGNAVMDLLKZQY-STQMWFEESA-N -1 3 389.521 3.757 20 0 GHADHM CCc1nc2cc(CNC(=O)c3nnc4ccccc4c3[O-])ccc2n1C1CC1 ZINC000802185559 1021480462 /nfs/dbraw/zinc/48/04/62/1021480462.db2.gz PFHKFVCRXILYAZ-UHFFFAOYSA-N -1 3 387.443 3.512 20 0 GHADHM C[C@@H]1CC[C@](CNCc2ncc(Br)cc2Cl)(CC(=O)[O-])C1 ZINC000903993301 1021667475 /nfs/dbraw/zinc/66/74/75/1021667475.db2.gz PNBBGMREKFEHTM-MEBBXXQBSA-N -1 3 375.694 3.868 20 0 GHADHM CN1CCN(C(=O)c2cc([O-])ccc2Cl)c2ccc(Br)cc21 ZINC001140458438 1021748112 /nfs/dbraw/zinc/74/81/12/1021748112.db2.gz XOKRNVDNDPTINK-UHFFFAOYSA-N -1 3 381.657 3.905 20 0 GHADHM Cc1cc(Br)c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000835057029 1021825941 /nfs/dbraw/zinc/82/59/41/1021825941.db2.gz XMVKSEIXDUWCRX-SNVBAGLBSA-N -1 3 399.276 3.710 20 0 GHADHM COC(=O)c1ccc(CC2CCN(Cc3[nH]c(C)c(C(=O)[O-])c3C)CC2)cc1 ZINC001140498047 1021872775 /nfs/dbraw/zinc/87/27/75/1021872775.db2.gz GMAYMFPDZWMDOI-UHFFFAOYSA-N -1 3 384.476 3.571 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001228628209 1033018037 /nfs/dbraw/zinc/01/80/37/1033018037.db2.gz JNSDAQFFZFUEGR-UKRRQHHQSA-N -1 3 393.411 3.533 20 0 GHADHM C[C@@H]1CCN(Cc2cccc([O-])c2Br)CCN1C(=O)OC(C)(C)C ZINC001140547266 1021948406 /nfs/dbraw/zinc/94/84/06/1021948406.db2.gz FFTPGCQHYURZPX-CYBMUJFWSA-N -1 3 399.329 3.986 20 0 GHADHM CCOCc1nc(C)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000835184282 1021948559 /nfs/dbraw/zinc/94/85/59/1021948559.db2.gz JBAITBYMSFBPRK-UHFFFAOYSA-N -1 3 385.445 3.678 20 0 GHADHM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC001140547763 1021949070 /nfs/dbraw/zinc/94/90/70/1021949070.db2.gz NKFRJHKAZANJJO-INIZCTEOSA-N -1 3 390.277 3.863 20 0 GHADHM CCOC[C@H]1CN(Cc2cccc([O-])c2Br)Cc2c1cnn2CC ZINC001140549527 1021950715 /nfs/dbraw/zinc/95/07/15/1021950715.db2.gz KGTBMCYEURXTTM-CQSZACIVSA-N -1 3 394.313 3.507 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1cccc([O-])c1Br ZINC001140550354 1021951415 /nfs/dbraw/zinc/95/14/15/1021951415.db2.gz RKCCQGPIGNGOTI-ZIAGYGMSSA-N -1 3 397.313 3.738 20 0 GHADHM Cc1cccc(OC2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC001140555371 1021958974 /nfs/dbraw/zinc/95/89/74/1021958974.db2.gz GGISXDXOVXJRPC-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CC2(CCN2C(=O)OC(C)(C)C)C1 ZINC001228629849 1033019623 /nfs/dbraw/zinc/01/96/23/1033019623.db2.gz NXXJJIUTZYAADA-UHFFFAOYSA-N -1 3 387.432 3.728 20 0 GHADHM O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000680224870 1022118093 /nfs/dbraw/zinc/11/80/93/1022118093.db2.gz NBCYASRFBJLGFV-UHFFFAOYSA-N -1 3 381.819 3.826 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)cc(OC)c1[O-] ZINC000754272707 1022575291 /nfs/dbraw/zinc/57/52/91/1022575291.db2.gz UYWJOLKJPAGKEK-ZDUSSCGKSA-N -1 3 395.411 3.747 20 0 GHADHM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[O-] ZINC000754488734 1022735370 /nfs/dbraw/zinc/73/53/70/1022735370.db2.gz SQNRDPMOAOQWFL-UHFFFAOYSA-N -1 3 395.271 3.885 20 0 GHADHM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000754495521 1022739773 /nfs/dbraw/zinc/73/97/73/1022739773.db2.gz GTVPUUODXZDBTA-KRWDZBQOSA-N -1 3 376.840 3.935 20 0 GHADHM Cc1ncc(CO)c(CN2CCC[C@@H]2c2cccc(Br)c2)c1[O-] ZINC001140868626 1022746560 /nfs/dbraw/zinc/74/65/60/1022746560.db2.gz BPZRYUJHDUUVTA-QGZVFWFLSA-N -1 3 377.282 3.688 20 0 GHADHM [O-]c1ccc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1F ZINC001140889517 1022807643 /nfs/dbraw/zinc/80/76/43/1022807643.db2.gz UOUHUCRWEJRQOK-DYESRHJHSA-N -1 3 390.430 3.516 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140891350 1022812460 /nfs/dbraw/zinc/81/24/60/1022812460.db2.gz XGVHWOVOWZGITE-HNNXBMFYSA-N -1 3 378.463 3.579 20 0 GHADHM CCOC(=O)[C@H]1CCN(Cc2ccc([O-])c(F)c2F)C[C@H]1c1ccccc1 ZINC001140893659 1022819029 /nfs/dbraw/zinc/81/90/29/1022819029.db2.gz XUHDHAIRWJJWNG-IRXDYDNUSA-N -1 3 375.415 3.839 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@H]1CCCCO1 ZINC000754796749 1022902165 /nfs/dbraw/zinc/90/21/65/1022902165.db2.gz DQECCTRSARSOJG-NHCUHLMSSA-N -1 3 397.471 3.756 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CCn4c(-c5ccccc5)cnc43)CC2)o1 ZINC001140946173 1022953205 /nfs/dbraw/zinc/95/32/05/1022953205.db2.gz VBCPPXWCPMFKOI-UHFFFAOYSA-N -1 3 377.444 3.779 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)C1 ZINC001140989086 1023094354 /nfs/dbraw/zinc/09/43/54/1023094354.db2.gz UGISMPCUBOAOBJ-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1I ZINC000836696366 1023266219 /nfs/dbraw/zinc/26/62/19/1023266219.db2.gz IUTKABKEKNCLGZ-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1I ZINC000836696366 1023266227 /nfs/dbraw/zinc/26/62/27/1023266227.db2.gz IUTKABKEKNCLGZ-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM Cc1cccc([C@@H](NCc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])c1C ZINC000756383718 1023621474 /nfs/dbraw/zinc/62/14/74/1023621474.db2.gz NCBZBVBKHCIRFL-GOSISDBHSA-N -1 3 385.464 3.961 20 0 GHADHM Cc1ccc2cc(C(=O)N3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)cc(C)c2n1 ZINC001156645507 1033152886 /nfs/dbraw/zinc/15/28/86/1033152886.db2.gz PIXNFMIXZQGOQP-KRWDZBQOSA-N -1 3 397.475 3.508 20 0 GHADHM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2nccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000756530937 1023700738 /nfs/dbraw/zinc/70/07/38/1023700738.db2.gz VDWUQVOGYJFWJR-CHWSQXEVSA-N -1 3 389.830 3.589 20 0 GHADHM Cc1c([C@H](C)[N-]C(=O)C(F)(F)c2nccs2)cnn1-c1ccc(F)cc1 ZINC000756645450 1023751143 /nfs/dbraw/zinc/75/11/43/1023751143.db2.gz KYHNEBIVJVBKJI-JTQLQIEISA-N -1 3 380.395 3.746 20 0 GHADHM CC(C)([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cn(-c2ccccc2)nn1 ZINC000757052045 1023920502 /nfs/dbraw/zinc/92/05/02/1023920502.db2.gz JUDRUJJANGHZES-UHFFFAOYSA-N -1 3 392.356 3.689 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000837123014 1024082104 /nfs/dbraw/zinc/08/21/04/1024082104.db2.gz KXVYUCOJDYLMGD-HOTGVXAUSA-N -1 3 394.487 3.664 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000837239044 1024268870 /nfs/dbraw/zinc/26/88/70/1024268870.db2.gz JHOGVZGMRIDSHK-ZBFHGGJFSA-N -1 3 376.497 3.578 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228956285 1033198244 /nfs/dbraw/zinc/19/82/44/1033198244.db2.gz NBNSTQRVCFXCKU-HNNXBMFYSA-N -1 3 379.254 3.538 20 0 GHADHM Cc1ccc(N2CCN(Cc3cn(CC(=O)[O-])c4ccccc34)CC2)cc1C ZINC001138187486 1024329989 /nfs/dbraw/zinc/32/99/89/1024329989.db2.gz LVHBUBLPDLXLFZ-UHFFFAOYSA-N -1 3 377.488 3.665 20 0 GHADHM C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cn(CC(=O)[O-])c2ccccc12 ZINC001138189050 1024334300 /nfs/dbraw/zinc/33/43/00/1024334300.db2.gz UPJXHDQAUQNQGD-QGZVFWFLSA-N -1 3 395.478 3.571 20 0 GHADHM Cc1cc2n[nH]cc2cc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001138212345 1024373827 /nfs/dbraw/zinc/37/38/27/1024373827.db2.gz SHMBYSNZLKUILV-UHFFFAOYSA-N -1 3 397.232 3.728 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC1(Br)Br ZINC000831249953 1024451928 /nfs/dbraw/zinc/45/19/28/1024451928.db2.gz KKKCLDFHZNHKNU-SNVBAGLBSA-N -1 3 383.467 3.880 20 0 GHADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H]1OCCc2sccc21 ZINC000837740746 1024674460 /nfs/dbraw/zinc/67/44/60/1024674460.db2.gz AZJXRHRXAKMZNZ-BFUOFWGJSA-N -1 3 396.468 3.904 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000837786722 1024709945 /nfs/dbraw/zinc/70/99/45/1024709945.db2.gz DOQXXIGAQTYIJL-FQEVSTJZSA-N -1 3 375.415 3.819 20 0 GHADHM CO[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000837841924 1024747804 /nfs/dbraw/zinc/74/78/04/1024747804.db2.gz QOTQQDVHIABEKR-WFASDCNBSA-N -1 3 386.473 3.876 20 0 GHADHM O=C(Nc1ccc2n[nH]cc2c1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001141385046 1024820820 /nfs/dbraw/zinc/82/08/20/1024820820.db2.gz IBYFFVLLZTYQTL-UHFFFAOYSA-N -1 3 388.305 3.555 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCCC3(F)F)cc21 ZINC000831764639 1024830321 /nfs/dbraw/zinc/83/03/21/1024830321.db2.gz YQSYLWGWRVQSND-LLVKDONJSA-N -1 3 377.840 3.573 20 0 GHADHM CCc1ccc(-c2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)no2)cc1 ZINC001141399322 1024884625 /nfs/dbraw/zinc/88/46/25/1024884625.db2.gz TVXCAGLROLUMOQ-UHFFFAOYSA-N -1 3 385.445 3.528 20 0 GHADHM CCc1sc(-c2nnc(COC(=O)Cc3ccc([O-])c(F)c3)o2)cc1C ZINC000838142079 1024942869 /nfs/dbraw/zinc/94/28/69/1024942869.db2.gz UXGJBNAPPFEJGV-UHFFFAOYSA-N -1 3 376.409 3.800 20 0 GHADHM Cc1cc(C(=O)[C@@H](C)OC(=O)Cc2ccc([O-])c(F)c2)c(C)n1Cc1ccco1 ZINC000838142170 1024943771 /nfs/dbraw/zinc/94/37/71/1024943771.db2.gz WBWOEXOIXBHPEC-OAHLLOKOSA-N -1 3 399.418 3.948 20 0 GHADHM CCOc1cc(CN2CCOC[C@H]2C[C@H](O)c2ccccc2)cc(Cl)c1[O-] ZINC000838859847 1025401108 /nfs/dbraw/zinc/40/11/08/1025401108.db2.gz OEHIIKPVDLQJFQ-MJGOQNOKSA-N -1 3 391.895 3.769 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(c3noc4ccc(F)cc43)CC2)cc1 ZINC001138927729 1025594738 /nfs/dbraw/zinc/59/47/38/1025594738.db2.gz YQCSBABKKKYFGW-UHFFFAOYSA-N -1 3 384.407 3.810 20 0 GHADHM Cc1ncc(NC(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)c(=O)[n-]1 ZINC001162303767 1025708363 /nfs/dbraw/zinc/70/83/63/1025708363.db2.gz WXOKXEQYWVVKHR-CQSZACIVSA-N -1 3 380.757 3.578 20 0 GHADHM Cc1cccc(-c2cc(C(F)(F)Nc3cnc(C)[n-]c3=O)cnc2Cl)c1 ZINC001162305385 1025708590 /nfs/dbraw/zinc/70/85/90/1025708590.db2.gz FOPVMXBQQZDOLN-OAHLLOKOSA-N -1 3 376.794 3.747 20 0 GHADHM CC[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001461028403 1069346188 /nfs/dbraw/zinc/34/61/88/1069346188.db2.gz YQCSRZKGFHYCCX-FVQBIDKESA-N -1 3 382.426 3.839 20 0 GHADHM CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000839380314 1025860517 /nfs/dbraw/zinc/86/05/17/1025860517.db2.gz YWTBBOGTHBRLGE-GFCCVEGCSA-N -1 3 396.871 3.904 20 0 GHADHM COc1cccc([C@@H]2CCCN(Cc3cccc(OC)c3OCC(=O)[O-])C2)c1 ZINC001139270850 1026116985 /nfs/dbraw/zinc/11/69/85/1026116985.db2.gz KGYIHYZIIKHYNZ-QGZVFWFLSA-N -1 3 385.460 3.547 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc1[O-] ZINC000839746967 1026244475 /nfs/dbraw/zinc/24/44/75/1026244475.db2.gz OLBMDCHCDBCKTM-UHFFFAOYSA-N -1 3 388.851 3.574 20 0 GHADHM CC(C)(CNC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1 ZINC001141743768 1026405090 /nfs/dbraw/zinc/40/50/90/1026405090.db2.gz IUAXEENBNRCIFH-UHFFFAOYSA-N -1 3 391.244 3.567 20 0 GHADHM COc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1 ZINC001164406950 1026507848 /nfs/dbraw/zinc/50/78/48/1026507848.db2.gz ZUMHEHZWMJNROT-ROUUACIJSA-N -1 3 383.444 3.701 20 0 GHADHM CCC(C)(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC001139994851 1026783031 /nfs/dbraw/zinc/78/30/31/1026783031.db2.gz KYUWQHNZJJQFHB-UHFFFAOYSA-N -1 3 378.469 3.674 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)[C@H](C)c3ccccc3F)c2)n1 ZINC001141770669 1027194169 /nfs/dbraw/zinc/19/41/69/1027194169.db2.gz WUPWJCQLEHXFAD-ZUOKHONESA-N -1 3 395.434 3.654 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)o1 ZINC001209824662 1027222961 /nfs/dbraw/zinc/22/29/61/1027222961.db2.gz VKFOEWHEZNDEDN-HNNXBMFYSA-N -1 3 391.411 3.835 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Oc1cccc(F)c1 ZINC001210250216 1027404288 /nfs/dbraw/zinc/40/42/88/1027404288.db2.gz YBOFVPZGSLVJKV-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCCC2 ZINC001210373504 1027476087 /nfs/dbraw/zinc/47/60/87/1027476087.db2.gz YFEDPEFJWCUFSE-GJZGRUSLSA-N -1 3 395.418 3.861 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H](c2ccccc2)C1 ZINC000840354473 1027476432 /nfs/dbraw/zinc/47/64/32/1027476432.db2.gz MMYDZWIHJNCZOA-FPMFFAJLSA-N -1 3 381.402 3.595 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCC1 ZINC001210637858 1027583506 /nfs/dbraw/zinc/58/35/06/1027583506.db2.gz XNANPCSQGQIFLS-UHFFFAOYSA-N -1 3 380.535 3.685 20 0 GHADHM Cc1ccccc1CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001210778754 1027648376 /nfs/dbraw/zinc/64/83/76/1027648376.db2.gz HJVJJPDPTGMIRI-UHFFFAOYSA-N -1 3 377.359 3.554 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)c3ccccc32)s1 ZINC001211011685 1027751066 /nfs/dbraw/zinc/75/10/66/1027751066.db2.gz XMUXRTUNBVDNRS-CYBMUJFWSA-N -1 3 393.530 3.668 20 0 GHADHM CS(C)(=O)=Nc1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001142024931 1027910193 /nfs/dbraw/zinc/91/01/93/1027910193.db2.gz XEGLMDQZRHMAJG-UHFFFAOYSA-N -1 3 389.864 3.793 20 0 GHADHM COc1c(Br)cccc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001213259147 1028074073 /nfs/dbraw/zinc/07/40/73/1028074073.db2.gz QFAHTDZMOSVVSO-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC12CC2)c1cc(Br)ccc1Cl ZINC001213306703 1028100458 /nfs/dbraw/zinc/10/04/58/1028100458.db2.gz OFEIZKFUUUSFQK-JTQLQIEISA-N -1 3 378.719 3.961 20 0 GHADHM CCN(C)c1ncnc2c1CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142108966 1028127388 /nfs/dbraw/zinc/12/73/88/1028127388.db2.gz FQHZOKSSHIXSAD-UHFFFAOYSA-N -1 3 381.307 3.546 20 0 GHADHM Cn1cc([C@H]2COC3(C2)CCN(Cc2c(Cl)cc([O-])cc2Cl)CC3)cn1 ZINC001142109597 1028132842 /nfs/dbraw/zinc/13/28/42/1028132842.db2.gz WGKFYCYJJYVIIF-CYBMUJFWSA-N -1 3 396.318 3.971 20 0 GHADHM O=c1ccc2c(n1CC1CC1)CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142111801 1028142697 /nfs/dbraw/zinc/14/26/97/1028142697.db2.gz ZBJBBYRPCJOGBM-UHFFFAOYSA-N -1 3 393.314 3.872 20 0 GHADHM O=S(=O)([N-]Cc1noc2ccc(F)cc21)c1cnc(-c2ccccc2)s1 ZINC001213450573 1028199026 /nfs/dbraw/zinc/19/90/26/1028199026.db2.gz CZBBTQUJNAOTKB-UHFFFAOYSA-N -1 3 389.433 3.569 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC001213663968 1028315910 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/nfs/dbraw/zinc/80/42/83/1028804283.db2.gz DMFJSEUMYCQFJG-HSZRJFAPSA-N -1 3 381.472 3.593 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001142654004 1029212857 /nfs/dbraw/zinc/21/28/57/1029212857.db2.gz SXSMOGZQMZMCPR-PBHICJAKSA-N -1 3 391.924 3.591 20 0 GHADHM Cc1c([C@H](C)NCc2cc(=O)oc3cc([O-])ccc23)cnn1-c1ccc(F)cc1 ZINC000182996878 1029222118 /nfs/dbraw/zinc/22/21/18/1029222118.db2.gz WNNXYVOVVYLSIG-ZDUSSCGKSA-N -1 3 393.418 3.983 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)c(SC)cc1F)OCC ZINC001215966442 1029473768 /nfs/dbraw/zinc/47/37/68/1029473768.db2.gz PNUBKPDQQXYGGV-UHFFFAOYSA-N -1 3 385.436 3.868 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2ccccc2-c2nnn[n-]2)n1 ZINC001216014437 1029492665 /nfs/dbraw/zinc/49/26/65/1029492665.db2.gz NACUVIGBOXUFLA-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2ccccc2-c2nn[n-]n2)n1 ZINC001216014437 1029492669 /nfs/dbraw/zinc/49/26/69/1029492669.db2.gz NACUVIGBOXUFLA-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)ccc1Br ZINC001216014905 1029493175 /nfs/dbraw/zinc/49/31/75/1029493175.db2.gz YUYNGFOQKRPMQM-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)ccc1Br ZINC001216014905 1029493183 /nfs/dbraw/zinc/49/31/83/1029493183.db2.gz YUYNGFOQKRPMQM-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(Br)cc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC001216108183 1029526484 /nfs/dbraw/zinc/52/64/84/1029526484.db2.gz RBGZSPXPHQMWHE-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(Br)cc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC001216108183 1029526496 /nfs/dbraw/zinc/52/64/96/1029526496.db2.gz RBGZSPXPHQMWHE-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c(Br)c1 ZINC001216122142 1029533119 /nfs/dbraw/zinc/53/31/19/1029533119.db2.gz ZZHIZLQWQAXTGJ-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c(Br)c1 ZINC001216122142 1029533124 /nfs/dbraw/zinc/53/31/24/1029533124.db2.gz ZZHIZLQWQAXTGJ-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=S(=O)(CCCC1CCOCC1)[N-]c1ccc(Oc2ccc(F)cc2)cn1 ZINC000842791130 1029592241 /nfs/dbraw/zinc/59/22/41/1029592241.db2.gz SBCFUNGVWRBHDE-UHFFFAOYSA-N -1 3 394.468 3.962 20 0 GHADHM [O-]c1cc(Br)cc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1 ZINC001216382985 1029620543 /nfs/dbraw/zinc/62/05/43/1029620543.db2.gz IPZPZWOOMJIARG-UHFFFAOYSA-N -1 3 389.205 3.917 20 0 GHADHM Cc1cc(C)cc(C[C@H](NCc2cc(Br)cnc2Cl)C(=O)[O-])c1 ZINC000843303840 1029900826 /nfs/dbraw/zinc/90/08/26/1029900826.db2.gz IWRSDLMLRIUYQH-HNNXBMFYSA-N -1 3 397.700 3.900 20 0 GHADHM CS(=O)(=O)c1cccc(-c2noc(-c3ccc([O-])cc3C(F)(F)F)n2)c1 ZINC001216982646 1030050788 /nfs/dbraw/zinc/05/07/88/1030050788.db2.gz KTAJUFUFVMURPR-UHFFFAOYSA-N -1 3 384.335 3.532 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)c1 ZINC001216986099 1030053172 /nfs/dbraw/zinc/05/31/72/1030053172.db2.gz JLIYRBDMCVHIAR-UHFFFAOYSA-N -1 3 390.399 3.511 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2nnc3c[nH]cc(Br)c2-3)c1[O-] ZINC001149190983 1030085403 /nfs/dbraw/zinc/08/54/03/1030085403.db2.gz QPZUOQRQGCCLJX-UHFFFAOYSA-N -1 3 398.220 3.535 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N(C)Cc2ncccc2C(F)(F)F)c1[O-] ZINC001149198772 1030088012 /nfs/dbraw/zinc/08/80/12/1030088012.db2.gz HATFNQJGRIARJD-UHFFFAOYSA-N -1 3 375.350 3.935 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc1F ZINC001217019506 1030097860 /nfs/dbraw/zinc/09/78/60/1030097860.db2.gz VBLCCADCAGVNNZ-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM Ic1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1 ZINC001217136823 1030188917 /nfs/dbraw/zinc/18/89/17/1030188917.db2.gz IWCXENGWTFZXFH-UHFFFAOYSA-N -1 3 388.168 3.885 20 0 GHADHM O=C([N-]CC1CN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1)C(F)(F)F ZINC001222605948 1030229553 /nfs/dbraw/zinc/22/95/53/1030229553.db2.gz BTOHJCBKWGBNEY-KRWDZBQOSA-N -1 3 397.441 3.628 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(O[C@@H](C)c3ccccc3)cc1)C2 ZINC001149672673 1030267382 /nfs/dbraw/zinc/26/73/82/1030267382.db2.gz WLKTWHNWBBYJER-AWEZNQCLSA-N -1 3 375.428 3.787 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(O[C@H](C)c3ccccc3)cc1)C2 ZINC001149672674 1030267721 /nfs/dbraw/zinc/26/77/21/1030267721.db2.gz WLKTWHNWBBYJER-CQSZACIVSA-N -1 3 375.428 3.787 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc2c(c1)C[C@@H](COCc1ccc(F)cc1)O2 ZINC001149773130 1030297917 /nfs/dbraw/zinc/29/79/17/1030297917.db2.gz WDWAVAKJZLGYSA-SFHVURJKSA-N -1 3 394.402 3.699 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001217470586 1030418680 /nfs/dbraw/zinc/41/86/80/1030418680.db2.gz LMOSLTYEZKKLPG-UHFFFAOYSA-N -1 3 377.404 3.759 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(C(C)(C)C)ccn4)no3)n[n-]c21 ZINC001217470586 1030418691 /nfs/dbraw/zinc/41/86/91/1030418691.db2.gz LMOSLTYEZKKLPG-UHFFFAOYSA-N -1 3 377.404 3.759 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001217471469 1030420822 /nfs/dbraw/zinc/42/08/22/1030420822.db2.gz SRWJTQIDHYBOND-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(F)c(Cl)cc4F)no3)n[n-]c21 ZINC001217471469 1030420828 /nfs/dbraw/zinc/42/08/28/1030420828.db2.gz SRWJTQIDHYBOND-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccccc4-c4cnco4)no3)c21 ZINC001217513412 1030455734 /nfs/dbraw/zinc/45/57/34/1030455734.db2.gz YTELBSNVZXADHF-UHFFFAOYSA-N -1 3 387.355 3.722 20 0 GHADHM COc1cc2c(cc1-c1noc(-c3nc4nc(Cl)ccc4[n-]3)n1)CCCC2=O ZINC001217552899 1030486487 /nfs/dbraw/zinc/48/64/87/1030486487.db2.gz SFCZXVGESLBMQI-UHFFFAOYSA-N -1 3 395.806 3.856 20 0 GHADHM COc1cc2c(cc1-c1noc(-c3nc4ccc(Cl)[n-]c-4n3)n1)CCCC2=O ZINC001217552899 1030486502 /nfs/dbraw/zinc/48/65/02/1030486502.db2.gz SFCZXVGESLBMQI-UHFFFAOYSA-N -1 3 395.806 3.856 20 0 GHADHM COc1cc2c(cc1-c1noc(-c3nc4ccc(Cl)nc4[n-]3)n1)CCCC2=O ZINC001217552899 1030486515 /nfs/dbraw/zinc/48/65/15/1030486515.db2.gz SFCZXVGESLBMQI-UHFFFAOYSA-N -1 3 395.806 3.856 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(C)=Cc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC001150416050 1030523664 /nfs/dbraw/zinc/52/36/64/1030523664.db2.gz KMPDHRFCDWDKKD-NTMALXAHSA-N -1 3 383.326 3.527 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(C)=Cc2ccc(OC(F)(F)F)cc2)c[n-]1 ZINC001150416050 1030523672 /nfs/dbraw/zinc/52/36/72/1030523672.db2.gz KMPDHRFCDWDKKD-NTMALXAHSA-N -1 3 383.326 3.527 20 0 GHADHM Cc1cccc2[nH]c(NC(=O)c3c[n-]c4ccc(C(F)(F)F)cc4c3=O)nc21 ZINC001150465922 1030535659 /nfs/dbraw/zinc/53/56/59/1030535659.db2.gz OJIYAWANLVHWMT-UHFFFAOYSA-N -1 3 386.333 3.984 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3CCc4cccnc43)nc21 ZINC001223402627 1030556919 /nfs/dbraw/zinc/55/69/19/1030556919.db2.gz FORCSODLTXMWJL-SCLBCKFNSA-N -1 3 375.787 3.767 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3CCc4cccnc43)[n-]c21 ZINC001223402627 1030556934 /nfs/dbraw/zinc/55/69/34/1030556934.db2.gz FORCSODLTXMWJL-SCLBCKFNSA-N -1 3 375.787 3.767 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001217637045 1030559624 /nfs/dbraw/zinc/55/96/24/1030559624.db2.gz VKTUNQYGLXZTOX-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cc2nc(C)cc(C)n2n1 ZINC001150582564 1030578642 /nfs/dbraw/zinc/57/86/42/1030578642.db2.gz IHZRKOJWGAXBBN-UHFFFAOYSA-N -1 3 398.806 3.785 20 0 GHADHM CCc1ccc(-c2nnc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)o2)cc1 ZINC001217752681 1030642458 /nfs/dbraw/zinc/64/24/58/1030642458.db2.gz XSRNPWFCZCXMPJ-SFHVURJKSA-N -1 3 391.427 3.744 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3c(cccc3Br)s2)[n-]n1 ZINC001151176246 1030793664 /nfs/dbraw/zinc/79/36/64/1030793664.db2.gz GIWLLFRUNAUVTR-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3c(cccc3Br)s2)n[n-]1 ZINC001151176246 1030793681 /nfs/dbraw/zinc/79/36/81/1030793681.db2.gz GIWLLFRUNAUVTR-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc2ccccc2oc1=O ZINC001151365093 1030879839 /nfs/dbraw/zinc/87/98/39/1030879839.db2.gz SBRITNSXTCNVAR-UHFFFAOYSA-N -1 3 376.368 3.703 20 0 GHADHM COc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c3cc(F)c(F)cc3c1=O)CCC2 ZINC001151513481 1030930063 /nfs/dbraw/zinc/93/00/63/1030930063.db2.gz GTGFWQKHIRTRSD-SFHVURJKSA-N -1 3 384.382 3.622 20 0 GHADHM COc1ccc(C(=O)c2ccccc2[O-])c(O[C@@H]2CNCc3ccccc32)c1 ZINC001218489720 1030959395 /nfs/dbraw/zinc/95/93/95/1030959395.db2.gz UUHFCQJABDFMLY-JOCHJYFZSA-N -1 3 375.424 3.855 20 0 GHADHM O=C(Nc1cc(-c2ccccc2O)no1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821923 1031017696 /nfs/dbraw/zinc/01/76/96/1031017696.db2.gz YVCHFLNYXOLLII-UHFFFAOYSA-N -1 3 399.204 3.938 20 0 GHADHM O=C(NC[C@H]1CC(=O)c2ccccc2O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001151945182 1031056175 /nfs/dbraw/zinc/05/61/75/1031056175.db2.gz AFYUFVUZCXICML-GOSISDBHSA-N -1 3 387.435 3.747 20 0 GHADHM O=C(NC[C@@H]1CC(=O)c2ccccc2O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001151945183 1031056838 /nfs/dbraw/zinc/05/68/38/1031056838.db2.gz AFYUFVUZCXICML-SFHVURJKSA-N -1 3 387.435 3.747 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nn1 ZINC001461739031 1069715382 /nfs/dbraw/zinc/71/53/82/1069715382.db2.gz PKYKSILSSSCFJV-KTKRTIGZSA-N -1 3 392.444 3.697 20 0 GHADHM CN(Cc1ccccc1Oc1ccccc1)C(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152452689 1031247552 /nfs/dbraw/zinc/24/75/52/1031247552.db2.gz PPGUEMMSHDWVNC-UHFFFAOYSA-N -1 3 386.407 3.886 20 0 GHADHM CCOC(=O)[C@H](CC=C(C)C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001152514033 1031264915 /nfs/dbraw/zinc/26/49/15/1031264915.db2.gz SBOCLSDIACLBSQ-AWEZNQCLSA-N -1 3 389.826 3.845 20 0 GHADHM N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001219310511 1031351343 /nfs/dbraw/zinc/35/13/43/1031351343.db2.gz HHFGBCSEWCZQSA-GFCCVEGCSA-N -1 3 392.299 3.938 20 0 GHADHM CC(C)=CCN1CCC2(CCN(Cc3cc(Cl)c([O-])cc3F)CC2)C1=O ZINC001277056140 1031489232 /nfs/dbraw/zinc/48/92/32/1031489232.db2.gz CAMDSPMZUCWBMX-UHFFFAOYSA-N -1 3 380.891 3.965 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)c1 ZINC001153389833 1031571855 /nfs/dbraw/zinc/57/18/55/1031571855.db2.gz UTEMXJWVAUXJAB-UHFFFAOYSA-N -1 3 399.422 3.766 20 0 GHADHM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001153473715 1031606757 /nfs/dbraw/zinc/60/67/57/1031606757.db2.gz QMWHSMWEGBZOKT-JTQLQIEISA-N -1 3 387.274 3.739 20 0 GHADHM C[C@@H]1C[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CCN1C(=O)OC(C)(C)C ZINC001225850781 1031651503 /nfs/dbraw/zinc/65/15/03/1031651503.db2.gz NSPOPXYUSZYDTK-NXEZZACHSA-N -1 3 393.431 3.951 20 0 GHADHM CC1(C)C[C@@]1(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001153666496 1031696436 /nfs/dbraw/zinc/69/64/36/1031696436.db2.gz JVYQFAPVJSWZBM-FQEVSTJZSA-N -1 3 390.480 3.793 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153909244 1031805649 /nfs/dbraw/zinc/80/56/49/1031805649.db2.gz SZONKFSSNNDESU-FOIQADDNSA-N -1 3 382.847 3.832 20 0 GHADHM COc1ccc(-c2cc(NC(=O)c3c([O-])cc4ccccc4c3O)n(C)n2)cc1 ZINC001154023058 1031880094 /nfs/dbraw/zinc/88/00/94/1031880094.db2.gz LXPVBBLBKGQBBW-UHFFFAOYSA-N -1 3 389.411 3.912 20 0 GHADHM CCOC(=O)CCN(Cc1ccccc1)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154024479 1031882205 /nfs/dbraw/zinc/88/22/05/1031882205.db2.gz HQNXQLFUVWUXNS-UHFFFAOYSA-N -1 3 393.439 3.847 20 0 GHADHM Cc1cc(C)n(-c2ccc(CNC(=O)c3c(O)cc4ccccc4c3[O-])cc2)n1 ZINC001154030316 1031886585 /nfs/dbraw/zinc/88/65/85/1031886585.db2.gz BSRXAPDRPXPMPV-UHFFFAOYSA-N -1 3 387.439 3.984 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1O ZINC001226477917 1031973404 /nfs/dbraw/zinc/97/34/04/1031973404.db2.gz AGXZADJTXSVXMZ-MLGOLLRUSA-N -1 3 379.453 3.715 20 0 GHADHM CC(=O)c1ccc([O-])c(OC2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1O ZINC001226479934 1031973933 /nfs/dbraw/zinc/97/39/33/1031973933.db2.gz WGSYOCVSTYVFMU-UHFFFAOYSA-N -1 3 391.464 3.859 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2c1cccc2NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209483 1031986143 /nfs/dbraw/zinc/98/61/43/1031986143.db2.gz DENKRFMJHLLJOX-UHFFFAOYSA-N -1 3 393.403 3.654 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCC34CN(C(=O)OC(C)(C)C)C4)cc12 ZINC001226533114 1031998590 /nfs/dbraw/zinc/99/85/90/1031998590.db2.gz ZGWQNSMKAQGLPX-KRWDZBQOSA-N -1 3 387.432 3.585 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc12 ZINC001226537679 1032000713 /nfs/dbraw/zinc/00/07/13/1032000713.db2.gz KYRSBGUQCDVDMP-DXCKQFNASA-N -1 3 387.432 3.726 20 0 GHADHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC001154271601 1032015446 /nfs/dbraw/zinc/01/54/46/1032015446.db2.gz NBWITJGEFMXCJV-UHFFFAOYSA-N -1 3 387.530 3.995 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226600004 1032035544 /nfs/dbraw/zinc/03/55/44/1032035544.db2.gz RZQVQYJVXAGPFZ-SFHVURJKSA-N -1 3 390.338 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226600164 1032036432 /nfs/dbraw/zinc/03/64/32/1032036432.db2.gz UYJWSVPIAUZQTP-CYBMUJFWSA-N -1 3 397.374 3.522 20 0 GHADHM O=C(c1ccccn1)[C@H](Oc1cccc([O-])c1Br)c1ccccn1 ZINC001229139155 1033302857 /nfs/dbraw/zinc/30/28/57/1033302857.db2.gz FOTOCSATEXLRTQ-GOSISDBHSA-N -1 3 385.217 3.948 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC001157151931 1033435771 /nfs/dbraw/zinc/43/57/71/1033435771.db2.gz ZCVGDHMOHFLGDV-UHFFFAOYSA-N -1 3 397.475 3.684 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC001157221179 1033478812 /nfs/dbraw/zinc/47/88/12/1033478812.db2.gz FVALHVVVGMFDLZ-IXDOHACOSA-N -1 3 397.519 3.869 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc(C(=O)OC(C)(C)C)c1 ZINC001157233113 1033485490 /nfs/dbraw/zinc/48/54/90/1033485490.db2.gz ILJRBFDUXBKXDE-JTQLQIEISA-N -1 3 398.385 3.578 20 0 GHADHM C[C@H](NC(=O)CCCOc1ccccc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001157233041 1033485685 /nfs/dbraw/zinc/48/56/85/1033485685.db2.gz GYGGXPZYLVSZER-VIFPVBQESA-N -1 3 376.766 3.513 20 0 GHADHM COc1ccc([C@@H]2CC(=O)c3c(O[C@H]4CN5CCC4CC5)cc([O-])cc3O2)cc1 ZINC001229463656 1033497385 /nfs/dbraw/zinc/49/73/85/1033497385.db2.gz IXPPFKITDFAAPC-UGKGYDQZSA-N -1 3 395.455 3.580 20 0 GHADHM CCN1CC[C@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(OC)cc2)O3)C1 ZINC001229464462 1033498285 /nfs/dbraw/zinc/49/82/85/1033498285.db2.gz SVQZXJVPRCOLSJ-HKUYNNGSSA-N -1 3 383.444 3.580 20 0 GHADHM CN1CCC[C@@H](Oc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O)CC1 ZINC001229749498 1033683180 /nfs/dbraw/zinc/68/31/80/1033683180.db2.gz CWWRRPWCCYDPBF-MRXNPFEDSA-N -1 3 381.428 3.734 20 0 GHADHM Cc1cc(CNC(F)(F)c2cc(Cl)nc(=S)[n-]2)ncc1Br ZINC001158320404 1034021287 /nfs/dbraw/zinc/02/12/87/1034021287.db2.gz BNDMFBASMZNPOE-UHFFFAOYSA-N -1 3 395.660 3.724 20 0 GHADHM O=C(NCC[C@H]1CCC(F)(F)C1)NCc1ccc([O-])c(Br)c1 ZINC001230418598 1034043435 /nfs/dbraw/zinc/04/34/35/1034043435.db2.gz OUUJSFPGHFOTSU-SNVBAGLBSA-N -1 3 377.229 3.779 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c([O-])c1 ZINC001158552831 1034151162 /nfs/dbraw/zinc/15/11/62/1034151162.db2.gz QHMUZTWXCDWLHV-UHFFFAOYSA-N -1 3 384.819 3.517 20 0 GHADHM CC[C@@H]1c2ccccc2CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001158651695 1034216639 /nfs/dbraw/zinc/21/66/39/1034216639.db2.gz FCDONVUDKOAUDL-QGZVFWFLSA-N -1 3 378.881 3.819 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(Br)ccc1F ZINC001158782833 1034269383 /nfs/dbraw/zinc/26/93/83/1034269383.db2.gz BDIAJEDVTXYKPY-UMSPYCQHSA-N -1 3 394.244 3.540 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2cccnc2-n2cnc3ccccc32)c1 ZINC001158809614 1034281705 /nfs/dbraw/zinc/28/17/05/1034281705.db2.gz OSJGDYBFQRKAAY-UHFFFAOYSA-N -1 3 390.468 3.778 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001231073242 1034378394 /nfs/dbraw/zinc/37/83/94/1034378394.db2.gz KCAZCPDJORQUEB-FQEVSTJZSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231073242 1034378411 /nfs/dbraw/zinc/37/84/11/1034378411.db2.gz KCAZCPDJORQUEB-FQEVSTJZSA-N -1 3 386.411 3.730 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)c1 ZINC001231077357 1034381472 /nfs/dbraw/zinc/38/14/72/1034381472.db2.gz SOOQRIQMAZKTPV-OAHLLOKOSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)c1 ZINC001231077357 1034381499 /nfs/dbraw/zinc/38/14/99/1034381499.db2.gz SOOQRIQMAZKTPV-OAHLLOKOSA-N -1 3 392.337 3.726 20 0 GHADHM O=C1Nc2ncccc2C2(CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)O1 ZINC001231522468 1034671529 /nfs/dbraw/zinc/67/15/29/1034671529.db2.gz GSXLQLUCZPAKQA-UHFFFAOYSA-N -1 3 393.365 3.859 20 0 GHADHM CC(=O)c1ccc(N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)cc1 ZINC001231522980 1034673488 /nfs/dbraw/zinc/67/34/88/1034673488.db2.gz NQOKFEHQYIBDSN-UHFFFAOYSA-N -1 3 378.394 3.936 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231527781 1034680016 /nfs/dbraw/zinc/68/00/16/1034680016.db2.gz RLOMJARIEAJDAK-CQSZACIVSA-N -1 3 378.394 3.758 20 0 GHADHM CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277548969 1034825872 /nfs/dbraw/zinc/82/58/72/1034825872.db2.gz VFKMDLFLLZHQMS-LJQANCHMSA-N -1 3 395.341 3.912 20 0 GHADHM CCOC(=O)[C@H]1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])CCS1 ZINC001231683052 1034833216 /nfs/dbraw/zinc/83/32/16/1034833216.db2.gz VSGNHQQIUOOZIQ-LJQANCHMSA-N -1 3 385.485 3.532 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(OC(F)F)cc1 ZINC001208285239 1034846837 /nfs/dbraw/zinc/84/68/37/1034846837.db2.gz JRXGXDZZIMGGLT-QMMMGPOBSA-N -1 3 396.209 3.683 20 0 GHADHM O=C(c1cscn1)N1CCC2(C1)CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001231732172 1034869148 /nfs/dbraw/zinc/86/91/48/1034869148.db2.gz ZBAHJBMEBVPRME-UHFFFAOYSA-N -1 3 391.924 3.630 20 0 GHADHM O=C1CC[C@@]2(CCCN(Cc3ccc(Cl)c([O-])c3)C2)N1Cc1ccncc1 ZINC001231731429 1034869413 /nfs/dbraw/zinc/86/94/13/1034869413.db2.gz PPGDBIXXPAAVAI-OAQYLSRUSA-N -1 3 385.895 3.598 20 0 GHADHM COc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)c([O-])c3)CC2)cc1 ZINC001231735181 1034870268 /nfs/dbraw/zinc/87/02/68/1034870268.db2.gz LGVOVUQPBWBFFR-UHFFFAOYSA-N -1 3 389.883 3.840 20 0 GHADHM COC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC001231754890 1034884569 /nfs/dbraw/zinc/88/45/69/1034884569.db2.gz LMQRKHSUYBQZOR-LJQANCHMSA-N -1 3 383.444 3.907 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001231792570 1034912078 /nfs/dbraw/zinc/91/20/78/1034912078.db2.gz FTQGUGYTPQJPCG-LJQANCHMSA-N -1 3 389.879 3.985 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)c1ccccc1 ZINC001208876031 1035072803 /nfs/dbraw/zinc/07/28/03/1035072803.db2.gz UXLFWUMYNPSBOI-NSHDSACASA-N -1 3 381.910 3.817 20 0 GHADHM Fc1ccccc1CN1CCC(CNc2nc[n-]c3nc(=S)sc2-3)CC1 ZINC001161194494 1035175941 /nfs/dbraw/zinc/17/59/41/1035175941.db2.gz QBKCRZVHMLUWDV-UHFFFAOYSA-N -1 3 389.525 3.838 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001161505602 1035244524 /nfs/dbraw/zinc/24/45/24/1035244524.db2.gz IPWWHCYFKDUUAN-LSDHHAIUSA-N -1 3 394.512 3.993 20 0 GHADHM O=C(Nc1cccc2c1CCNC2=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001161756907 1035295903 /nfs/dbraw/zinc/29/59/03/1035295903.db2.gz VFZOCTSMDPFMAF-UHFFFAOYSA-N -1 3 388.423 3.509 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)N2CCCCC2)cc1Cl ZINC001243516197 1036187585 /nfs/dbraw/zinc/18/75/85/1036187585.db2.gz TYVDVROYEYWCQQ-UHFFFAOYSA-N -1 3 397.866 3.822 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)N2CCCCC2)cc1Cl ZINC001243516197 1036187595 /nfs/dbraw/zinc/18/75/95/1036187595.db2.gz TYVDVROYEYWCQQ-UHFFFAOYSA-N -1 3 397.866 3.822 20 0 GHADHM COc1cc(OC)c(C2OCCO2)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001245190112 1036811261 /nfs/dbraw/zinc/81/12/61/1036811261.db2.gz QATPGLTVQAZECF-UHFFFAOYSA-N -1 3 388.367 3.514 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2cccc(Br)c2F)no1 ZINC001247264631 1038043972 /nfs/dbraw/zinc/04/39/72/1038043972.db2.gz YTFORZZTSJTINR-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1Cl ZINC001232786391 1038552724 /nfs/dbraw/zinc/55/27/24/1038552724.db2.gz WLJVABYRPQBKEW-NQIIRXRSSA-N -1 3 388.895 3.891 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232968484 1038741547 /nfs/dbraw/zinc/74/15/47/1038741547.db2.gz CHWZQSCPOBKYHA-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)CN1c2ccccc2[C@]2(CCN(Cc3cc([O-])c(F)c(F)c3)C2)C1=O ZINC001232971900 1038744136 /nfs/dbraw/zinc/74/41/36/1038744136.db2.gz RPOJSDDHUAIVHE-JOCHJYFZSA-N -1 3 386.442 3.817 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001233033110 1038788152 /nfs/dbraw/zinc/78/81/52/1038788152.db2.gz BECSTVQMPAGCIE-UHFFFAOYSA-N -1 3 386.805 3.567 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncc(-c4cnn(C)c4)cc3c2)cc1 ZINC001252178841 1038899817 /nfs/dbraw/zinc/89/98/17/1038899817.db2.gz ZAHBFERWIQNMOD-UHFFFAOYSA-N -1 3 378.457 3.745 20 0 GHADHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4c(F)ccc([O-])c4F)C[C@H]3O2)n1 ZINC001233393789 1039227080 /nfs/dbraw/zinc/22/70/80/1039227080.db2.gz MOJYVCFPEYZKCQ-FASAQXTFSA-N -1 3 389.446 3.936 20 0 GHADHM O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395390 1039230035 /nfs/dbraw/zinc/23/00/35/1039230035.db2.gz VWACVFRVGACXID-IBGZPJMESA-N -1 3 378.444 3.751 20 0 GHADHM COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(Cl)c1[O-] ZINC001233398603 1039236162 /nfs/dbraw/zinc/23/61/62/1039236162.db2.gz RKBSHEZZKCRQBG-UHFFFAOYSA-N -1 3 387.867 3.947 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(Cl)c1[O-] ZINC001233401188 1039241500 /nfs/dbraw/zinc/24/15/00/1039241500.db2.gz POESXZDNKUFCKF-UHFFFAOYSA-N -1 3 382.888 3.640 20 0 GHADHM COc1ccc(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(Cl)c1[O-] ZINC001233401553 1039243241 /nfs/dbraw/zinc/24/32/41/1039243241.db2.gz FHOHIZGKDRNJBK-MRXNPFEDSA-N -1 3 392.858 3.588 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233591940 1039464318 /nfs/dbraw/zinc/46/43/18/1039464318.db2.gz IKKYFKZCULZWGH-QFBILLFUSA-N -1 3 383.872 3.901 20 0 GHADHM CCOC(=O)c1cc([O-])c(Br)c(O[C@H]2CCCN(C(C)C)C2)c1 ZINC001234061303 1039795134 /nfs/dbraw/zinc/79/51/34/1039795134.db2.gz SXRNEUCRMPXXHO-ZDUSSCGKSA-N -1 3 386.286 3.583 20 0 GHADHM [O-]c1ccc(Cl)c(O[C@@H]2CCN(c3ccc(Br)cn3)C2)c1F ZINC001234265488 1039944421 /nfs/dbraw/zinc/94/44/21/1039944421.db2.gz WFQBHQYQYJEFJY-SNVBAGLBSA-N -1 3 387.636 4.000 20 0 GHADHM COC(=O)C1(C)CC(Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234380644 1039991810 /nfs/dbraw/zinc/99/18/10/1039991810.db2.gz IFMZXHKLLVZVJE-UHFFFAOYSA-N -1 3 380.396 3.886 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234690143 1040222543 /nfs/dbraw/zinc/22/25/43/1040222543.db2.gz YOQADGPQDLDQAB-GJZGRUSLSA-N -1 3 389.427 3.576 20 0 GHADHM COC[C@H](C)Oc1c(OC)cc(=O)c2c([O-])cc(-c3ccccc3OC)oc1-2 ZINC001234733290 1040259962 /nfs/dbraw/zinc/25/99/62/1040259962.db2.gz MRZLZTPUWNFOKY-LBPRGKRZSA-N -1 3 386.400 3.597 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1C(C)=O ZINC001234791541 1040323317 /nfs/dbraw/zinc/32/33/17/1040323317.db2.gz OGSWPKOYHYZCRF-DYESRHJHSA-N -1 3 399.487 3.580 20 0 GHADHM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C)c1ccc(OC)c(F)c1 ZINC001255225222 1040916046 /nfs/dbraw/zinc/91/60/46/1040916046.db2.gz XXSKBLCGJNVNGW-QGZVFWFLSA-N -1 3 395.377 3.655 20 0 GHADHM [O-]c1cc(Cl)cc(-c2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)c1 ZINC001235898652 1041418763 /nfs/dbraw/zinc/41/87/63/1041418763.db2.gz ANMPTPKNPMTXNO-UHFFFAOYSA-N -1 3 384.842 3.968 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCOCC1)c1ccc(F)cc1F ZINC001256098256 1041525536 /nfs/dbraw/zinc/52/55/36/1041525536.db2.gz KBSGHNMGRSPHJO-GOSISDBHSA-N -1 3 385.407 3.550 20 0 GHADHM O=S(=O)([N-]CCCc1cncc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC001256387076 1041715379 /nfs/dbraw/zinc/71/53/79/1041715379.db2.gz XGUMLGLIZBSOOG-UHFFFAOYSA-N -1 3 384.832 3.726 20 0 GHADHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1ccc(Br)c([O-])c1 ZINC001236684615 1041830360 /nfs/dbraw/zinc/83/03/60/1041830360.db2.gz UVHWEBBPGBXJJL-UHFFFAOYSA-N -1 3 397.313 3.644 20 0 GHADHM COc1ccc(OC2CCN(Cc3ccc(Br)c([O-])c3)CC2)nc1 ZINC001236685036 1041830687 /nfs/dbraw/zinc/83/06/87/1041830687.db2.gz AZHMOPOIEZADTD-UHFFFAOYSA-N -1 3 393.281 3.602 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236687776 1041832562 /nfs/dbraw/zinc/83/25/62/1041832562.db2.gz ONRNZAKAFXNGNP-CYBMUJFWSA-N -1 3 385.302 3.596 20 0 GHADHM COc1cccc(O[C@@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)n1 ZINC001236694798 1041836942 /nfs/dbraw/zinc/83/69/42/1041836942.db2.gz IHPBURPWJASHHQ-CQSZACIVSA-N -1 3 393.281 3.602 20 0 GHADHM [O-]c1cc(CN2CCN(Cc3ccc(Br)cc3)CC2)ccc1F ZINC001236706126 1041844290 /nfs/dbraw/zinc/84/42/90/1041844290.db2.gz SPKQXNYOZKBZBM-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)s1 ZINC001237149485 1042065519 /nfs/dbraw/zinc/06/55/19/1042065519.db2.gz IBOJLXNNJIYAAB-UHFFFAOYSA-N -1 3 390.871 3.699 20 0 GHADHM CN(CC1CCN(Cc2sc(=O)[n-]c2Cl)CC1)C(=O)OC(C)(C)C ZINC001237152194 1042066557 /nfs/dbraw/zinc/06/65/57/1042066557.db2.gz SKTQRSDZNPXZII-UHFFFAOYSA-N -1 3 375.922 3.581 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001237161949 1042071987 /nfs/dbraw/zinc/07/19/87/1042071987.db2.gz RFBRWIZGWJFTHJ-UHFFFAOYSA-N -1 3 391.846 3.839 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])cc(F)c2)[C@H](C(F)(F)F)C1 ZINC001237287401 1042124962 /nfs/dbraw/zinc/12/49/62/1042124962.db2.gz RBPHOVWKEJQYHE-AWEZNQCLSA-N -1 3 378.366 3.515 20 0 GHADHM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cnc4c(c3)CNCC4)cc2)cc1 ZINC001237475999 1042225276 /nfs/dbraw/zinc/22/52/76/1042225276.db2.gz MAJZLXVVBWKUNX-UHFFFAOYSA-N -1 3 379.485 3.504 20 0 GHADHM CCN(Cc1cc(F)ccc1Br)Cc1c([O-])c(C)ncc1CO ZINC001462598217 1070403337 /nfs/dbraw/zinc/40/33/37/1070403337.db2.gz WWWLCVYSDIIWLV-UHFFFAOYSA-N -1 3 383.261 3.512 20 0 GHADHM Nc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001237670432 1042315440 /nfs/dbraw/zinc/31/54/40/1042315440.db2.gz QPCDXDVJRBHDBN-UHFFFAOYSA-N -1 3 397.628 3.764 20 0 GHADHM O=S(=O)([N-]c1ccc([C@@H]2CC[NH2+]C2)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001237721273 1042341735 /nfs/dbraw/zinc/34/17/35/1042341735.db2.gz VWSUCFQVKZBCLA-LLVKDONJSA-N -1 3 387.288 3.577 20 0 GHADHM CC(C)c1nsc([N-]C(=O)c2cnn(-c3ccccc3)c2Br)n1 ZINC001462612202 1070413790 /nfs/dbraw/zinc/41/37/90/1070413790.db2.gz YIOWJMMRWAOODZ-UHFFFAOYSA-N -1 3 392.282 3.862 20 0 GHADHM [O-]c1c(F)cc(CN2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc1Cl ZINC001237987882 1042445529 /nfs/dbraw/zinc/44/55/29/1042445529.db2.gz FOFHWHNGOQNNLQ-OXQOHEQNSA-N -1 3 383.891 3.840 20 0 GHADHM O=C1N(c2cccc(F)c2)CC12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001237989424 1042446297 /nfs/dbraw/zinc/44/62/97/1042446297.db2.gz LAELOPXWASXZMF-UHFFFAOYSA-N -1 3 392.833 3.953 20 0 GHADHM Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Br ZINC001237995140 1042449138 /nfs/dbraw/zinc/44/91/38/1042449138.db2.gz VZUCSGBOYXXDCX-UHFFFAOYSA-N -1 3 395.200 3.851 20 0 GHADHM O=C1NCc2ccccc2CC12CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001238146632 1042504126 /nfs/dbraw/zinc/50/41/26/1042504126.db2.gz IXJUAIZENLQYLD-UHFFFAOYSA-N -1 3 388.870 3.639 20 0 GHADHM Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(Cl)c([O-])cc4F)CCN3C2)cc1 ZINC001238147785 1042504203 /nfs/dbraw/zinc/50/42/03/1042504203.db2.gz LSEWHMJYAXBSIA-SJLPKXTDSA-N -1 3 390.886 3.831 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2ccccc2c1 ZINC001256534207 1043469190 /nfs/dbraw/zinc/46/91/90/1043469190.db2.gz XAWYNXDXXZWLEI-NSHDSACASA-N -1 3 394.905 3.860 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCOCC1)c1ccc(Cl)s1 ZINC001256541473 1043494378 /nfs/dbraw/zinc/49/43/78/1043494378.db2.gz MLDRXNAGOSXDNV-INIZCTEOSA-N -1 3 389.901 3.987 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC001292432847 1043731796 /nfs/dbraw/zinc/73/17/96/1043731796.db2.gz KVOPBTFJZLTJPG-HNNXBMFYSA-N -1 3 386.253 3.762 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC001292432847 1043731809 /nfs/dbraw/zinc/73/18/09/1043731809.db2.gz KVOPBTFJZLTJPG-HNNXBMFYSA-N -1 3 386.253 3.762 20 0 GHADHM C[C@H](Nc1nc(C(F)F)nc2ccccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001307153712 1043932436 /nfs/dbraw/zinc/93/24/36/1043932436.db2.gz OPYXLQHQCYZFAZ-QWRGUYRKSA-N -1 3 387.390 3.743 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(O)CCC1)c1cccc(Cl)c1Cl ZINC001257293081 1043959514 /nfs/dbraw/zinc/95/95/14/1043959514.db2.gz GBUHZWJTMWZARP-MRXNPFEDSA-N -1 3 386.300 3.928 20 0 GHADHM O=S(=O)([N-]Cc1cc(OC2CCC2)ccn1)c1cccc(Cl)c1Cl ZINC001257300616 1043960451 /nfs/dbraw/zinc/96/04/51/1043960451.db2.gz MOVWYOKCKSXCGR-UHFFFAOYSA-N -1 3 387.288 3.798 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ncccc1F ZINC001257300886 1043961115 /nfs/dbraw/zinc/96/11/15/1043961115.db2.gz UIVKVIQJQPXRMC-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CCC1)c1ccc(Br)cc1F ZINC001462780769 1070541608 /nfs/dbraw/zinc/54/16/08/1070541608.db2.gz XEYDGTLGKANQBP-UHFFFAOYSA-N -1 3 398.297 3.988 20 0 GHADHM CC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257779942 1044167222 /nfs/dbraw/zinc/16/72/22/1044167222.db2.gz AHTVUWBHHROLIU-JTQLQIEISA-N -1 3 397.324 3.575 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1Br)c1c(Cl)cccc1Cl ZINC001257785214 1044170113 /nfs/dbraw/zinc/17/01/13/1044170113.db2.gz AFAZCWBWABNYLR-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]Cc1cn(Cc2ccccc2)cn1)c1c(Cl)cccc1Cl ZINC001257791418 1044173948 /nfs/dbraw/zinc/17/39/48/1044173948.db2.gz UITIBZCBUMZMCH-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1F)C1CC1)c1c(Cl)cccc1Cl ZINC001257791504 1044175512 /nfs/dbraw/zinc/17/55/12/1044175512.db2.gz XJNFVWFWXYNQDW-CYBMUJFWSA-N -1 3 375.252 3.957 20 0 GHADHM CCc1cccc2c(CCNC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)c[nH]c21 ZINC001293448478 1044186558 /nfs/dbraw/zinc/18/65/58/1044186558.db2.gz QRWGYRIJPKCTEL-UHFFFAOYSA-N -1 3 395.409 3.823 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c(Cl)c1 ZINC001279084333 1044478634 /nfs/dbraw/zinc/47/86/34/1044478634.db2.gz QPSCLWZOQUQTFQ-UHFFFAOYSA-N -1 3 381.307 3.520 20 0 GHADHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1(CC)CC ZINC001294130869 1044486841 /nfs/dbraw/zinc/48/68/41/1044486841.db2.gz PJANYCNXERXBRI-HOTGVXAUSA-N -1 3 376.884 3.895 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2cccs2)c1 ZINC001294427495 1044620617 /nfs/dbraw/zinc/62/06/17/1044620617.db2.gz HLWUOYXDJBOQKD-GFCCVEGCSA-N -1 3 399.472 3.706 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](O)c1ccc(F)cc1 ZINC001294752841 1044783187 /nfs/dbraw/zinc/78/31/87/1044783187.db2.gz CODONGAYQFMCAW-IVZQSRNASA-N -1 3 379.431 3.974 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccccc1-c1cccnc1)C(=O)C2 ZINC001258974015 1044914152 /nfs/dbraw/zinc/91/41/52/1044914152.db2.gz KUYYYBMMUMEJTD-KKSFZXQISA-N -1 3 384.501 3.886 20 0 GHADHM COc1cccc2c([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cccc12 ZINC001258973853 1044914418 /nfs/dbraw/zinc/91/44/18/1044914418.db2.gz BKVXCDZGLKPJNM-QKKBWIMNSA-N -1 3 387.501 3.986 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccccc2-c2nc[nH]n2)s1 ZINC001295212184 1044951944 /nfs/dbraw/zinc/95/19/44/1044951944.db2.gz SDYUVDONVIGACK-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM COC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC001259101081 1044962042 /nfs/dbraw/zinc/96/20/42/1044962042.db2.gz ZZZFGUYUKPFNTG-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1ccc(S(=O)(=O)Nc2cccc([O-])c2Br)cc1Cl ZINC001259136850 1044977965 /nfs/dbraw/zinc/97/79/65/1044977965.db2.gz WGTSRMSPXATRFC-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001295489612 1045032853 /nfs/dbraw/zinc/03/28/53/1045032853.db2.gz NMBIKKJSJSNFAI-LBPRGKRZSA-N -1 3 390.249 3.761 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2cccnc2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369891 1045106223 /nfs/dbraw/zinc/10/62/23/1045106223.db2.gz ZWFDKLDDMHZYGV-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC001295973288 1045204279 /nfs/dbraw/zinc/20/42/79/1045204279.db2.gz YXSJEBNXYNITHM-CQSZACIVSA-N -1 3 392.246 3.942 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1)N1CCCCC1 ZINC001259541565 1045226517 /nfs/dbraw/zinc/22/65/17/1045226517.db2.gz BMGJXLHYKSSMFZ-UHFFFAOYSA-N -1 3 394.884 3.554 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1 ZINC001259648129 1045258548 /nfs/dbraw/zinc/25/85/48/1045258548.db2.gz CURMEOJJVZRJGQ-UHFFFAOYSA-N -1 3 398.484 3.968 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1cc(OC(F)(F)F)ccc1F ZINC001259785932 1045303339 /nfs/dbraw/zinc/30/33/39/1045303339.db2.gz UQTCWWVCPKSDTP-UHFFFAOYSA-N -1 3 381.322 3.848 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1ccc2nc(Br)sc2c1 ZINC001259872057 1045326018 /nfs/dbraw/zinc/32/60/18/1045326018.db2.gz AMFXRWHBGPDKMV-UHFFFAOYSA-N -1 3 389.218 3.753 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccn(C(C)C)c(=O)c3)s2)cs1 ZINC001259986897 1045343404 /nfs/dbraw/zinc/34/34/04/1045343404.db2.gz VQKQLAGKBDANAE-UHFFFAOYSA-N -1 3 395.531 3.723 20 0 GHADHM Cc1c2c(c(C)c(C)c1S(=O)(=O)[N-]c1cc(F)ncc1F)OC(C)(C)C2 ZINC001260244657 1045425296 /nfs/dbraw/zinc/42/52/96/1045425296.db2.gz FPYZCUKLKNIORI-UHFFFAOYSA-N -1 3 382.432 3.799 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1cccnc1 ZINC001260255433 1045430035 /nfs/dbraw/zinc/43/00/35/1045430035.db2.gz HUQGOKMBBXESMS-ZDUSSCGKSA-N -1 3 391.237 3.552 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1)c1ccccc1 ZINC000556503300 1045431041 /nfs/dbraw/zinc/43/10/41/1045431041.db2.gz SXYICPAXUNQEFV-HXUWFJFHSA-N -1 3 395.436 3.779 20 0 GHADHM O=c1[nH]cc(Cl)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001260266397 1045433120 /nfs/dbraw/zinc/43/31/20/1045433120.db2.gz SWOFUZIJHCBTMK-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=S(=O)([N-]c1cccnc1Cl)c1cc(Br)c(F)cc1F ZINC001260325576 1045463050 /nfs/dbraw/zinc/46/30/50/1045463050.db2.gz QIOGRYBBSCHNAU-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1F ZINC001260372071 1045479362 /nfs/dbraw/zinc/47/93/62/1045479362.db2.gz HKGKSVLRDMKERO-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM NC(=O)[C@H]([N-]c1nc(-c2cc(F)cc(F)c2)ns1)c1ccc(Cl)cc1 ZINC001307230951 1045490795 /nfs/dbraw/zinc/49/07/95/1045490795.db2.gz BNOMMKWTOQRXMY-CYBMUJFWSA-N -1 3 380.807 3.775 20 0 GHADHM O=S(=O)([N-]Cc1ccc2nccn2c1)c1ccc(Cl)c(Cl)c1Cl ZINC001260434775 1045495811 /nfs/dbraw/zinc/49/58/11/1045495811.db2.gz QAOWCQVSJFRWRR-UHFFFAOYSA-N -1 3 390.679 3.773 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2F)cc1 ZINC001260569628 1045554698 /nfs/dbraw/zinc/55/46/98/1045554698.db2.gz JTQUCKDGULFDAD-UHFFFAOYSA-N -1 3 378.469 3.719 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)OC)cc2)cc1 ZINC001260577513 1045565070 /nfs/dbraw/zinc/56/50/70/1045565070.db2.gz PXTIRLGCYPHDEQ-HNNXBMFYSA-N -1 3 391.489 3.943 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C(F)(F)F)c2)cc1C ZINC001260637466 1045584363 /nfs/dbraw/zinc/58/43/63/1045584363.db2.gz ADXNMUAZGSEHGT-UHFFFAOYSA-N -1 3 375.368 3.832 20 0 GHADHM C[C@H](NC(=O)C(C)(C)CCCc1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297608302 1045587147 /nfs/dbraw/zinc/58/71/47/1045587147.db2.gz ACUQBMNDTHUDIS-IRXDYDNUSA-N -1 3 397.519 3.916 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ncccc2C(F)(F)F)C2CC2)s1 ZINC001260687125 1045607149 /nfs/dbraw/zinc/60/71/49/1045607149.db2.gz HDVSUSKIRRJSSP-ZDUSSCGKSA-N -1 3 376.425 3.900 20 0 GHADHM O=C([N-]c1cccc2cc(Br)cnc21)c1nnc(-c2ccco2)o1 ZINC001297705132 1045608268 /nfs/dbraw/zinc/60/82/68/1045608268.db2.gz BTGKNEGSRHSMNR-UHFFFAOYSA-N -1 3 385.177 3.893 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1F ZINC001260854958 1045713660 /nfs/dbraw/zinc/71/36/60/1045713660.db2.gz CEZZMKFGADTZPB-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC001298318168 1045771839 /nfs/dbraw/zinc/77/18/39/1045771839.db2.gz MRZIOTSGFZBANL-UHFFFAOYSA-N -1 3 396.447 3.588 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC001261012586 1045833422 /nfs/dbraw/zinc/83/34/22/1045833422.db2.gz ZOKYMVILJFVBIX-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC001261013093 1045833919 /nfs/dbraw/zinc/83/39/19/1045833919.db2.gz KGFCNGJVAXRAIV-UHFFFAOYSA-N -1 3 395.349 3.513 20 0 GHADHM CC(C)(Cc1cccnc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261013783 1045835466 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ZINC001317827525 1054270505 /nfs/dbraw/zinc/27/05/05/1054270505.db2.gz QYMSUPDTPPDQDG-VIFPVBQESA-N -1 3 378.222 3.739 20 0 GHADHM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC001344474581 1054506467 /nfs/dbraw/zinc/50/64/67/1054506467.db2.gz XKYKMHRHOUOCKE-HXOBKFHXSA-N -1 3 398.478 3.555 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC001345560231 1055108197 /nfs/dbraw/zinc/10/81/97/1055108197.db2.gz FPANUCSHQUWKTN-KRWDZBQOSA-N -1 3 396.443 3.511 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2F)ccc1F ZINC001200510378 1056176472 /nfs/dbraw/zinc/17/64/72/1056176472.db2.gz XOWXELGMFFWZPN-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COc1cccc(CNC(=S)Nc2c([O-])cccc2Br)c1OC ZINC001200517795 1056201164 /nfs/dbraw/zinc/20/11/64/1056201164.db2.gz LBROTFNAYGAYEQ-UHFFFAOYSA-N -1 3 397.294 3.659 20 0 GHADHM Cc1n[n-]c(S(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC001321870285 1056425888 /nfs/dbraw/zinc/42/58/88/1056425888.db2.gz AYYUMACJWTXPOO-UHFFFAOYSA-N -1 3 382.272 3.983 20 0 GHADHM Cc1nnc(S(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[n-]1 ZINC001321870285 1056425891 /nfs/dbraw/zinc/42/58/91/1056425891.db2.gz AYYUMACJWTXPOO-UHFFFAOYSA-N -1 3 382.272 3.983 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cncc(Br)c2Cl)c1F ZINC001200675803 1056701282 /nfs/dbraw/zinc/70/12/82/1056701282.db2.gz JAJNSZLSWVWSBM-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1cc(F)c([O-])c(F)c1 ZINC001323928929 1057038373 /nfs/dbraw/zinc/03/83/73/1057038373.db2.gz PRVMFGIRVHEJPD-UHFFFAOYSA-N -1 3 386.402 3.785 20 0 GHADHM O=S(=O)([N-][C@@]1(C(F)(F)F)CCc2ccccc21)c1c[nH]c(C(F)(F)F)c1 ZINC001324000731 1057052668 /nfs/dbraw/zinc/05/26/68/1057052668.db2.gz KCSZKVIZQMXPOV-ZDUSSCGKSA-N -1 3 398.328 3.716 20 0 GHADHM Cc1nc(-c2nnc(N([C@H](C)c3ccccc3Cl)C3CC3)n2C)cc(=O)[n-]1 ZINC001355360440 1057131251 /nfs/dbraw/zinc/13/12/51/1057131251.db2.gz UVKCQEJNGJOYEK-LLVKDONJSA-N -1 3 384.871 3.670 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001324712503 1057209157 /nfs/dbraw/zinc/20/91/57/1057209157.db2.gz WOZGTFXQNNKTKF-LJQANCHMSA-N -1 3 396.878 3.572 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCCCC1)C(F)(F)F)c1cccc2c1OCCC2 ZINC001475183885 1057260586 /nfs/dbraw/zinc/26/05/86/1057260586.db2.gz FPTOTDRESZDASR-INIZCTEOSA-N -1 3 377.428 3.801 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)[n-]n1 ZINC001325109128 1057277040 /nfs/dbraw/zinc/27/70/40/1057277040.db2.gz XTOMGXDMPFTALU-UHFFFAOYSA-N -1 3 390.852 3.539 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)n[n-]1 ZINC001325109128 1057277044 /nfs/dbraw/zinc/27/70/44/1057277044.db2.gz XTOMGXDMPFTALU-UHFFFAOYSA-N -1 3 390.852 3.539 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1nc(-c2ccccc2Cl)cs1 ZINC001325774064 1057362098 /nfs/dbraw/zinc/36/20/98/1057362098.db2.gz PFDZQMRHPDEERX-UHFFFAOYSA-N -1 3 389.864 3.944 20 0 GHADHM O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC001338276416 1058492612 /nfs/dbraw/zinc/49/26/12/1058492612.db2.gz GFOHWWLFKBFLQP-UHFFFAOYSA-N -1 3 398.426 3.644 20 0 GHADHM Cc1cccc(Oc2ccccc2CNC(=O)CCc2c(C)nc[n-]c2=O)c1 ZINC001338670676 1058721243 /nfs/dbraw/zinc/72/12/43/1058721243.db2.gz NSOCCPIBHSRAEA-UHFFFAOYSA-N -1 3 377.444 3.840 20 0 GHADHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001441830117 1058871490 /nfs/dbraw/zinc/87/14/90/1058871490.db2.gz ZLFYTJWGWNPTOT-UHFFFAOYSA-N -1 3 387.361 3.798 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C3CCC3)cn2)c(Cl)c1 ZINC001339013476 1058924643 /nfs/dbraw/zinc/92/46/43/1058924643.db2.gz YWXLEOWFLCDKPZ-UHFFFAOYSA-N -1 3 379.869 3.626 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001442563622 1058976484 /nfs/dbraw/zinc/97/64/84/1058976484.db2.gz SUIPSMKZTLXMON-UHFFFAOYSA-N -1 3 387.779 3.594 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cccc3cccnc32)s1 ZINC001442575917 1058978741 /nfs/dbraw/zinc/97/87/41/1058978741.db2.gz PJKRYDCGNBKYHJ-UHFFFAOYSA-N -1 3 384.461 3.968 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccs1 ZINC001442644255 1058988056 /nfs/dbraw/zinc/98/80/56/1058988056.db2.gz AZBYQPSXGWYXFW-LJQANCHMSA-N -1 3 381.453 3.689 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001442934031 1059031859 /nfs/dbraw/zinc/03/18/59/1059031859.db2.gz PWOACPYFQNLMTJ-NSHDSACASA-N -1 3 382.869 3.671 20 0 GHADHM Cc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)c([O-])c1 ZINC001442934688 1059032795 /nfs/dbraw/zinc/03/27/95/1059032795.db2.gz FIECKHPKHWWTKS-UHFFFAOYSA-N -1 3 386.192 3.995 20 0 GHADHM COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)cn1 ZINC001443057482 1059053775 /nfs/dbraw/zinc/05/37/75/1059053775.db2.gz YIWQYRDVNOWFGN-UHFFFAOYSA-N -1 3 391.427 3.917 20 0 GHADHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC001443744729 1059190491 /nfs/dbraw/zinc/19/04/91/1059190491.db2.gz OVBLQGAUBBRGCT-UHFFFAOYSA-N -1 3 379.416 3.624 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC001339464099 1059234037 /nfs/dbraw/zinc/23/40/37/1059234037.db2.gz CSHCNHAHYYSXNI-UHFFFAOYSA-N -1 3 378.450 3.974 20 0 GHADHM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001444102715 1059265852 /nfs/dbraw/zinc/26/58/52/1059265852.db2.gz RGEUSWFIVZOHSD-JOCHJYFZSA-N -1 3 382.279 3.594 20 0 GHADHM O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001444958414 1059422292 /nfs/dbraw/zinc/42/22/92/1059422292.db2.gz VMUATPCOWFQQKE-UHFFFAOYSA-N -1 3 394.471 3.753 20 0 GHADHM O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001445526850 1059554646 /nfs/dbraw/zinc/55/46/46/1059554646.db2.gz MVEKHBNYSBJWEM-SFTDATJTSA-N -1 3 396.487 3.558 20 0 GHADHM Cc1ccc(F)c(-n2nc(C(=O)NCc3ccc([O-])c(F)c3)c3c2CCC3)c1 ZINC001445893900 1059649845 /nfs/dbraw/zinc/64/98/45/1059649845.db2.gz QMOCPEMUOHOLRJ-UHFFFAOYSA-N -1 3 383.398 3.583 20 0 GHADHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001445927013 1059655984 /nfs/dbraw/zinc/65/59/84/1059655984.db2.gz GGLOERQYJVDGQM-JTQLQIEISA-N -1 3 399.422 3.777 20 0 GHADHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447276320 1059943713 /nfs/dbraw/zinc/94/37/13/1059943713.db2.gz IHQPSCCFOVPBQB-ZDUSSCGKSA-N -1 3 385.302 3.670 20 0 GHADHM C[C@H](CCc1ccc(I)cc1)CC(=O)[N-]OCC(F)F ZINC001447568054 1059983968 /nfs/dbraw/zinc/98/39/68/1059983968.db2.gz KRECIKDHOYMQBI-SNVBAGLBSA-N -1 3 397.203 3.563 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1F)c1cc(F)ccc1Br ZINC001340765434 1060105124 /nfs/dbraw/zinc/10/51/24/1060105124.db2.gz GIVFJAWHIUIVST-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001448132502 1060116521 /nfs/dbraw/zinc/11/65/21/1060116521.db2.gz JCXOTZARFWSNIC-UHFFFAOYSA-N -1 3 398.291 3.824 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)c([O-])c1 ZINC001448923312 1060299455 /nfs/dbraw/zinc/29/94/55/1060299455.db2.gz PXXDJSWBULAXFD-UHFFFAOYSA-N -1 3 376.806 3.581 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC001449261911 1060364910 /nfs/dbraw/zinc/36/49/10/1060364910.db2.gz GINYEYOFKYNQGM-INIZCTEOSA-N -1 3 399.299 3.952 20 0 GHADHM CC(=O)c1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)ccc1F ZINC001449267367 1060369292 /nfs/dbraw/zinc/36/92/92/1060369292.db2.gz OKMKGSFSEOBHHV-UHFFFAOYSA-N -1 3 380.375 3.966 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H](CCCc4ccccc4)C3)n2C)cc(=O)[n-]1 ZINC001341290103 1060555271 /nfs/dbraw/zinc/55/52/71/1060555271.db2.gz KZBQTPNWJXJSSP-GOSISDBHSA-N -1 3 392.507 3.525 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001450230447 1060558094 /nfs/dbraw/zinc/55/80/94/1060558094.db2.gz XMQLUZQVZOKQFB-LDYMZIIASA-N -1 3 382.176 3.902 20 0 GHADHM COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1c([O-])cccc1Cl ZINC001450264870 1060566384 /nfs/dbraw/zinc/56/63/84/1060566384.db2.gz YKZLFTIZQUGETM-UHFFFAOYSA-N -1 3 387.823 3.509 20 0 GHADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450797654 1060691854 /nfs/dbraw/zinc/69/18/54/1060691854.db2.gz RHFXFCHNWUODFN-AWEZNQCLSA-N -1 3 384.863 3.907 20 0 GHADHM CC[C@@](CNC(=O)c1cc([O-])c2ccccc2c1)(C(=O)OC)c1ccccc1 ZINC001451305537 1060761095 /nfs/dbraw/zinc/76/10/95/1060761095.db2.gz CLUIFIYGBBKDPN-QHCPKHFHSA-N -1 3 377.440 3.796 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001451594240 1060801127 /nfs/dbraw/zinc/80/11/27/1060801127.db2.gz AMMQBCQDXNRHNZ-AWEZNQCLSA-N -1 3 390.402 3.530 20 0 GHADHM CC[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccccn1 ZINC001451787213 1060834458 /nfs/dbraw/zinc/83/44/58/1060834458.db2.gz FLTMDLFYLPDXNX-CQSZACIVSA-N -1 3 386.249 3.567 20 0 GHADHM O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Br)cc1[O-] ZINC001452752082 1061001975 /nfs/dbraw/zinc/00/19/75/1061001975.db2.gz XJISJFQAWZAVSB-UHFFFAOYSA-N -1 3 384.233 3.968 20 0 GHADHM C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001453413696 1061124974 /nfs/dbraw/zinc/12/49/74/1061124974.db2.gz FSBOKOWNXNFVIU-MWTRTKDXSA-N -1 3 394.471 3.797 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)[n-]1 ZINC001454461064 1061789073 /nfs/dbraw/zinc/78/90/73/1061789073.db2.gz LUPLLBUIBIYDIS-UHFFFAOYSA-N -1 3 375.494 3.756 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)c[n-]1 ZINC001454461064 1061789095 /nfs/dbraw/zinc/78/90/95/1061789095.db2.gz LUPLLBUIBIYDIS-UHFFFAOYSA-N -1 3 375.494 3.756 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Br)cc12)[N-]OCCCC(F)(F)F ZINC001455079415 1061995824 /nfs/dbraw/zinc/99/58/24/1061995824.db2.gz MVDGISBUYAYNAG-UHFFFAOYSA-N -1 3 379.176 3.863 20 0 GHADHM O=C(c1ccc(Cl)c(Br)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455387250 1062119864 /nfs/dbraw/zinc/11/98/64/1062119864.db2.gz JFOUEYRWTPXQHL-UHFFFAOYSA-N -1 3 394.656 3.632 20 0 GHADHM Cc1cc(OCCCC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1Cl ZINC001455461981 1062165147 /nfs/dbraw/zinc/16/51/47/1062165147.db2.gz NLYBNCPFONJVAJ-UHFFFAOYSA-N -1 3 387.867 3.723 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)[N-]c2c3nsnc3ccc2Cl)nc1 ZINC001435254314 1062428093 /nfs/dbraw/zinc/42/80/93/1062428093.db2.gz PZFSCCNZXQQMPZ-UHFFFAOYSA-N -1 3 390.852 3.947 20 0 GHADHM O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)c1ccccc1[O-] ZINC001456183152 1062536921 /nfs/dbraw/zinc/53/69/21/1062536921.db2.gz SGAZKBIXAKLIOF-UHFFFAOYSA-N -1 3 379.366 3.915 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)ccc1NC(=O)CC(C)C ZINC001456339128 1062622710 /nfs/dbraw/zinc/62/27/10/1062622710.db2.gz WBIXTFFCWHUCRO-UHFFFAOYSA-N -1 3 386.452 3.520 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)ccc1NC(=O)CC(C)C ZINC001456339128 1062622719 /nfs/dbraw/zinc/62/27/19/1062622719.db2.gz WBIXTFFCWHUCRO-UHFFFAOYSA-N -1 3 386.452 3.520 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1C(=O)c1cccs1)c1nc(C(F)(F)F)n[n-]1 ZINC001456388666 1062655190 /nfs/dbraw/zinc/65/51/90/1062655190.db2.gz UMZTVBQQTLVPIX-SECBINFHSA-N -1 3 394.378 3.607 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456639723 1062794962 /nfs/dbraw/zinc/79/49/62/1062794962.db2.gz ZLXNQCGSQDGODP-BXUZGUMPSA-N -1 3 376.478 3.592 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)s1 ZINC001456803917 1062867961 /nfs/dbraw/zinc/86/79/61/1062867961.db2.gz YTEJUCYYERSWQI-UHFFFAOYSA-N -1 3 384.461 3.736 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)s1 ZINC001456803917 1062867980 /nfs/dbraw/zinc/86/79/80/1062867980.db2.gz YTEJUCYYERSWQI-UHFFFAOYSA-N -1 3 384.461 3.736 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC001456923704 1062919357 /nfs/dbraw/zinc/91/93/57/1062919357.db2.gz IXIYYFKSTPZRGU-INIZCTEOSA-N -1 3 377.778 3.577 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccccc1Oc1ccncc1 ZINC001456951160 1062928536 /nfs/dbraw/zinc/92/85/36/1062928536.db2.gz WWUYAOFKAHILLE-WKILWMFISA-N -1 3 390.443 3.826 20 0 GHADHM CC(=O)Nc1cccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1C ZINC001457163394 1062993988 /nfs/dbraw/zinc/99/39/88/1062993988.db2.gz GDQBZGTUSLAIAP-UHFFFAOYSA-N -1 3 395.488 3.925 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001435934643 1063011136 /nfs/dbraw/zinc/01/11/36/1063011136.db2.gz XCAGDJIKCABZAU-QMMMGPOBSA-N -1 3 399.230 3.637 20 0 GHADHM COC(=O)c1c(F)cc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)cc1F ZINC001436044008 1063120390 /nfs/dbraw/zinc/12/03/90/1063120390.db2.gz JTJFCYIVNSCFIV-UHFFFAOYSA-N -1 3 394.280 3.937 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001457652468 1063295915 /nfs/dbraw/zinc/29/59/15/1063295915.db2.gz JYHBMCNUUZTADO-OAHLLOKOSA-N -1 3 392.496 3.700 20 0 GHADHM Cc1cccn2cc(CCNC(=O)c3c([O-])cnc4ccc(Cl)cc43)nc12 ZINC001457680814 1063307838 /nfs/dbraw/zinc/30/78/38/1063307838.db2.gz KWCIXWHSZCIOST-UHFFFAOYSA-N -1 3 380.835 3.522 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1)c2=O ZINC001457732489 1063332905 /nfs/dbraw/zinc/33/29/05/1063332905.db2.gz RDLUKVFXOPITML-UHFFFAOYSA-N -1 3 396.443 3.930 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC001457746413 1063342716 /nfs/dbraw/zinc/34/27/16/1063342716.db2.gz PSTRXTJCOQBDKA-UGKGYDQZSA-N -1 3 387.451 3.606 20 0 GHADHM Cn1cncc1C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001348854086 1063356332 /nfs/dbraw/zinc/35/63/32/1063356332.db2.gz JOGPYJXDSKUORO-UHFFFAOYSA-N -1 3 375.472 3.736 20 0 GHADHM O=C([N-]c1ccnc(Cl)c1F)c1occc1CS(=O)(=O)c1ccccc1 ZINC001436653936 1063597851 /nfs/dbraw/zinc/59/78/51/1063597851.db2.gz RYHQXYSIPMQACY-UHFFFAOYSA-N -1 3 394.811 3.693 20 0 GHADHM CCc1cc(OCC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)ccc1Cl ZINC001458174010 1063630445 /nfs/dbraw/zinc/63/04/45/1063630445.db2.gz XUACLYFRWQNASP-UHFFFAOYSA-N -1 3 387.823 3.583 20 0 GHADHM O=C(c1ccc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nc1)N1CCCC1 ZINC001458894888 1063957115 /nfs/dbraw/zinc/95/71/15/1063957115.db2.gz DSYBXIJYMSPHDQ-UHFFFAOYSA-N -1 3 392.484 3.773 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(N3CCCC3)c2)c(C(=O)OCC)[n-]1 ZINC001458950871 1063966668 /nfs/dbraw/zinc/96/66/68/1063966668.db2.gz CUTYMJAZSZOOMS-UHFFFAOYSA-N -1 3 384.480 3.782 20 0 GHADHM COc1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)cc1 ZINC001459180908 1064016333 /nfs/dbraw/zinc/01/63/33/1064016333.db2.gz QJMXJNFIDJYRRL-UHFFFAOYSA-N -1 3 378.457 3.881 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@@H](C)c3cccc(C(F)(F)F)c3)n2C)cc(=O)[n-]1 ZINC001350482209 1064101977 /nfs/dbraw/zinc/10/19/77/1064101977.db2.gz SFOFTLBPZGZJJI-JTQLQIEISA-N -1 3 392.385 3.502 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3)s2)nc1 ZINC001350569742 1064127278 /nfs/dbraw/zinc/12/72/78/1064127278.db2.gz OJVORZRPBFPNPK-UHFFFAOYSA-N -1 3 382.445 3.808 20 0 GHADHM CCN(CCOc1ccc(Br)cc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC001459581901 1064134029 /nfs/dbraw/zinc/13/40/29/1064134029.db2.gz WZDSPUIQUZQLDH-ZDUSSCGKSA-N -1 3 380.286 3.715 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(NC(C)=O)c3)c2)n1 ZINC001350607514 1064139478 /nfs/dbraw/zinc/13/94/78/1064139478.db2.gz UWHYDZMGBWZRKA-UHFFFAOYSA-N -1 3 390.443 3.551 20 0 GHADHM C[C@H](CC1CCCCC1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001459618294 1064145078 /nfs/dbraw/zinc/14/50/78/1064145078.db2.gz KLTBXMKPPAZLHB-CQSZACIVSA-N -1 3 398.544 3.991 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC001350751302 1064180606 /nfs/dbraw/zinc/18/06/06/1064180606.db2.gz QHOSXHXAPLJELK-LJQANCHMSA-N -1 3 375.465 3.839 20 0 GHADHM Cc1c(Br)cccc1CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC001439178281 1064195478 /nfs/dbraw/zinc/19/54/78/1064195478.db2.gz SESBAGGXIVCISW-UHFFFAOYSA-N -1 3 385.261 3.572 20 0 GHADHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC001463541852 1064449116 /nfs/dbraw/zinc/44/91/16/1064449116.db2.gz QYAJNLRLEHOFKR-SECBINFHSA-N -1 3 381.723 3.745 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1cc(C)cc(C)c1 ZINC001463577909 1064475752 /nfs/dbraw/zinc/47/57/52/1064475752.db2.gz PHSIXAKSNMOAMM-GFOMBABLSA-N -1 3 393.892 3.761 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001463603062 1064492257 /nfs/dbraw/zinc/49/22/57/1064492257.db2.gz GTODYDOIXOSDDU-UHFFFAOYSA-N -1 3 384.260 3.957 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1ccc(Cl)cc1)c1cnn(C2CCCC2)c1 ZINC001463663482 1064537689 /nfs/dbraw/zinc/53/76/89/1064537689.db2.gz BQAPEMXCFMXVLF-UHFFFAOYSA-N -1 3 389.855 3.722 20 0 GHADHM O=S(=O)([N-]C/C=C\c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001463765180 1064597573 /nfs/dbraw/zinc/59/75/73/1064597573.db2.gz UIRCMDYWGGYKSV-UPHRSURJSA-N -1 3 388.233 3.719 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2s1)c1cccc(Br)n1 ZINC001463776999 1064607389 /nfs/dbraw/zinc/60/73/89/1064607389.db2.gz SUNUTRFBDLDNLI-UHFFFAOYSA-N -1 3 397.319 3.580 20 0 GHADHM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC001463787940 1064619482 /nfs/dbraw/zinc/61/94/82/1064619482.db2.gz ZAVQLONGEUELGW-UHFFFAOYSA-N -1 3 381.231 3.979 20 0 GHADHM CN(CCOc1cccc(Cl)c1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001463824766 1064651349 /nfs/dbraw/zinc/65/13/49/1064651349.db2.gz OSGGJDLZBAPNTI-UHFFFAOYSA-N -1 3 391.254 3.986 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cnc3ccccc3c2)c(Cl)c1 ZINC001463875698 1064687452 /nfs/dbraw/zinc/68/74/52/1064687452.db2.gz WELUBWSXKMEJCD-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM CC1([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCC(F)(F)CC1 ZINC001464080563 1064805316 /nfs/dbraw/zinc/80/53/16/1064805316.db2.gz AQAVIQRFCDRFRI-UHFFFAOYSA-N -1 3 381.857 3.591 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccsc2C(F)(F)F)c1 ZINC001464207714 1064907620 /nfs/dbraw/zinc/90/76/20/1064907620.db2.gz UPTWKZJFJDQMGJ-UHFFFAOYSA-N -1 3 385.816 3.907 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)cc1F ZINC001464292396 1064944525 /nfs/dbraw/zinc/94/45/25/1064944525.db2.gz NHAFMLBQVHRHQD-KRWDZBQOSA-N -1 3 396.915 3.812 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC001464327056 1064956961 /nfs/dbraw/zinc/95/69/61/1064956961.db2.gz LFBUIYVUZWZDNS-VXGBXAGGSA-N -1 3 383.819 3.748 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(F)c1 ZINC000847258101 1064961934 /nfs/dbraw/zinc/96/19/34/1064961934.db2.gz QNWCAKCPKWEEFW-UHFFFAOYSA-N -1 3 389.353 3.709 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)CC1=CCSC1 ZINC001352283554 1064964892 /nfs/dbraw/zinc/96/48/92/1064964892.db2.gz PJQQJHSIVJEUKY-UHFFFAOYSA-N -1 3 378.929 3.552 20 0 GHADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]Cc1nc2cnccc2s1 ZINC001464527834 1065064806 /nfs/dbraw/zinc/06/48/06/1065064806.db2.gz DYCCPRSEMIKMIS-UHFFFAOYSA-N -1 3 394.330 3.679 20 0 GHADHM O=c1[nH]cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c2ccccc12 ZINC001464567663 1065085943 /nfs/dbraw/zinc/08/59/43/1065085943.db2.gz QPILMBXBQNDQBZ-UHFFFAOYSA-N -1 3 383.256 3.726 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C(C)(C)O1 ZINC001464628211 1065120407 /nfs/dbraw/zinc/12/04/07/1065120407.db2.gz JQXLUVNDNKLHNH-JTQLQIEISA-N -1 3 399.406 3.596 20 0 GHADHM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001464753016 1065191880 /nfs/dbraw/zinc/19/18/80/1065191880.db2.gz PGFYSSCATUQLNY-UHFFFAOYSA-N -1 3 392.249 3.635 20 0 GHADHM CC(C)c1nc(C[N-]c2nnc([C@H]3CCN(C(=O)OC(C)(C)C)C3)o2)cs1 ZINC001352760915 1065288328 /nfs/dbraw/zinc/28/83/28/1065288328.db2.gz MRBFTTMWSUZZIW-LBPRGKRZSA-N -1 3 393.513 3.986 20 0 GHADHM CSc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)co1 ZINC001464956515 1065290184 /nfs/dbraw/zinc/29/01/84/1065290184.db2.gz IHNKRFSLDNROGV-UHFFFAOYSA-N -1 3 394.396 3.644 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)n(-c2ccc(C)cc2)n1 ZINC001465066961 1065368309 /nfs/dbraw/zinc/36/83/09/1065368309.db2.gz XVLCORZLSLNLFK-LLVKDONJSA-N -1 3 393.373 3.509 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)cc1OC ZINC001465356827 1065563178 /nfs/dbraw/zinc/56/31/78/1065563178.db2.gz YBWQYHVHPDJFDW-LPMFXHHGSA-N -1 3 395.525 3.547 20 0 GHADHM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC001465359515 1065565612 /nfs/dbraw/zinc/56/56/12/1065565612.db2.gz RKWQFLPNFWPYBZ-AEFFLSMTSA-N -1 3 376.250 3.623 20 0 GHADHM NC(=O)C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCCC1 ZINC001465643757 1065765064 /nfs/dbraw/zinc/76/50/64/1065765064.db2.gz BJFQIYHPAQFCHK-HXUWFJFHSA-N -1 3 380.488 3.537 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)c1 ZINC001465733934 1065817547 /nfs/dbraw/zinc/81/75/47/1065817547.db2.gz HVZZGBKUAIIWFV-SFHVURJKSA-N 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ZINC001466589589 1066201266 /nfs/dbraw/zinc/20/12/66/1066201266.db2.gz BOLBIPIXBGGJDX-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CC[C@@H](C)CC[C@H](O)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001466940334 1066402873 /nfs/dbraw/zinc/40/28/73/1066402873.db2.gz QWAHFPIEIAWPRO-RISCZKNCSA-N -1 3 376.266 3.713 20 0 GHADHM CN1C(=O)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1c1ccccc1 ZINC001467249180 1067177539 /nfs/dbraw/zinc/17/75/39/1067177539.db2.gz BDRZEFFDQSTHHN-HSZRJFAPSA-N -1 3 386.451 3.596 20 0 GHADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc(C)c1Cl ZINC001467409837 1067281957 /nfs/dbraw/zinc/28/19/57/1067281957.db2.gz NOAOIPGTQYMSBF-UHFFFAOYSA-N -1 3 396.871 3.789 20 0 GHADHM CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001467555847 1067356557 /nfs/dbraw/zinc/35/65/57/1067356557.db2.gz CBFGNLIYANXVOC-UHFFFAOYSA-N -1 3 377.400 3.642 20 0 GHADHM O=C([N-]c1nc2c(s1)COCC2)c1cc(-c2cccc(Cl)c2F)no1 ZINC001358293492 1067469461 /nfs/dbraw/zinc/46/94/61/1067469461.db2.gz ZVJUWJYVSPZAAR-UHFFFAOYSA-N -1 3 379.800 3.916 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1C(F)(F)F ZINC000849453479 1067848860 /nfs/dbraw/zinc/84/88/60/1067848860.db2.gz FGOYYBRRUPARFA-UONOGXRCSA-N -1 3 391.798 3.816 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccnc2SC(F)(F)F)[n-]n1 ZINC001469324037 1068102955 /nfs/dbraw/zinc/10/29/55/1068102955.db2.gz SFDNITUXLZXDTP-UHFFFAOYSA-N -1 3 388.371 3.624 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccnc2SC(F)(F)F)n[n-]1 ZINC001469324037 1068102962 /nfs/dbraw/zinc/10/29/62/1068102962.db2.gz SFDNITUXLZXDTP-UHFFFAOYSA-N -1 3 388.371 3.624 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)[n-]n1 ZINC001469324024 1068103008 /nfs/dbraw/zinc/10/30/08/1068103008.db2.gz RPMRZSWMFJSULD-UHFFFAOYSA-N -1 3 387.770 3.872 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)n[n-]1 ZINC001469324024 1068103013 /nfs/dbraw/zinc/10/30/13/1068103013.db2.gz RPMRZSWMFJSULD-UHFFFAOYSA-N -1 3 387.770 3.872 20 0 GHADHM CCCO[N-]C(=O)CCCCCc1ccc(I)cc1 ZINC001469426472 1068158627 /nfs/dbraw/zinc/15/86/27/1068158627.db2.gz YRPMQQBBXJHOEJ-UHFFFAOYSA-N -1 3 375.250 3.852 20 0 GHADHM CC(C)CNC(=O)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001469549585 1068218270 /nfs/dbraw/zinc/21/82/70/1068218270.db2.gz SNYBIVRVEBSNMU-UHFFFAOYSA-N -1 3 397.862 3.820 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c(=O)[n-]1 ZINC001469557824 1068223330 /nfs/dbraw/zinc/22/33/30/1068223330.db2.gz SKORGMXBBIIMAK-HXUWFJFHSA-N -1 3 397.862 3.715 20 0 GHADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccnc(-c2ccccn2)n1 ZINC001360000088 1068306254 /nfs/dbraw/zinc/30/62/54/1068306254.db2.gz HFAULXKJEIUTFH-UHFFFAOYSA-N -1 3 380.477 3.765 20 0 GHADHM CC1(C)CC(CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001469825072 1068410462 /nfs/dbraw/zinc/41/04/62/1068410462.db2.gz LFCRSVNZRDAVNX-AWEZNQCLSA-N -1 3 397.441 3.805 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC(C2CCC2)CC1 ZINC001469917219 1068468262 /nfs/dbraw/zinc/46/82/62/1068468262.db2.gz HRSHTHWHAHGVDH-UHFFFAOYSA-N -1 3 389.293 3.943 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cc(C(F)(F)F)n(C)n3)n2)cc1 ZINC001360702184 1068603513 /nfs/dbraw/zinc/60/35/13/1068603513.db2.gz YLXFHFZFZDFXKV-UHFFFAOYSA-N -1 3 399.423 3.932 20 0 GHADHM CC1(C)CC[C@@H]1NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478609843 1078933166 /nfs/dbraw/zinc/93/31/66/1078933166.db2.gz HBOJSQOBKJOKEM-WFASDCNBSA-N -1 3 383.414 3.557 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001470788497 1072740425 /nfs/dbraw/zinc/74/04/25/1072740425.db2.gz CBTUOROSLBPUTQ-RDTXWAMCSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001470788497 1072740432 /nfs/dbraw/zinc/74/04/32/1072740432.db2.gz CBTUOROSLBPUTQ-RDTXWAMCSA-N -1 3 398.264 3.546 20 0 GHADHM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001470793207 1072742911 /nfs/dbraw/zinc/74/29/11/1072742911.db2.gz YNZNDVPRMMRJRC-LLYBFZRZSA-N -1 3 396.528 3.721 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](CC)c2sc(SCC)nc2C)[n-]1 ZINC001470840410 1072766526 /nfs/dbraw/zinc/76/65/26/1072766526.db2.gz AVRKLVACRWLRLT-SNVBAGLBSA-N -1 3 382.511 3.596 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](CC)c2sc(SCC)nc2C)c[n-]1 ZINC001470840410 1072766534 /nfs/dbraw/zinc/76/65/34/1072766534.db2.gz AVRKLVACRWLRLT-SNVBAGLBSA-N -1 3 382.511 3.596 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)c([O-])c1 ZINC001471571137 1073140830 /nfs/dbraw/zinc/14/08/30/1073140830.db2.gz UXJKNZDJRCQMOW-MRXNPFEDSA-N -1 3 378.266 3.742 20 0 GHADHM O=C(NCc1nc(Cc2ccccc2F)no1)c1cc2sccc2c([O-])c1 ZINC001471804009 1073222287 /nfs/dbraw/zinc/22/22/87/1073222287.db2.gz JWIWTTBCGMMOPX-UHFFFAOYSA-N -1 3 383.404 3.650 20 0 GHADHM O=C(Nc1cnn(C2CCCC2)c1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001471957801 1073282028 /nfs/dbraw/zinc/28/20/28/1073282028.db2.gz ADYBTSCRMFZWJL-UHFFFAOYSA-N -1 3 378.432 3.936 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)ccc2c1 ZINC001472093098 1073331514 /nfs/dbraw/zinc/33/15/14/1073331514.db2.gz LGWIUEPSCHPKIM-WEVVVXLNSA-N -1 3 379.416 3.789 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)ccc2c1 ZINC001472093098 1073331519 /nfs/dbraw/zinc/33/15/19/1073331519.db2.gz LGWIUEPSCHPKIM-WEVVVXLNSA-N -1 3 379.416 3.789 20 0 GHADHM C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109605 1073336279 /nfs/dbraw/zinc/33/62/79/1073336279.db2.gz RUTBUVLRQKYGSG-SNVBAGLBSA-N -1 3 393.394 3.861 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109764 1073336971 /nfs/dbraw/zinc/33/69/71/1073336971.db2.gz WFYKIQSUEDYDSY-MRVPVSSYSA-N -1 3 392.303 3.751 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001472153244 1073348943 /nfs/dbraw/zinc/34/89/43/1073348943.db2.gz JWRWSVAAQDCBIA-FUHWJXTLSA-N -1 3 383.444 3.595 20 0 GHADHM COC(=O)c1cc(NC(=O)CCCc2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001472228011 1073375990 /nfs/dbraw/zinc/37/59/90/1073375990.db2.gz AFEGKUPHNIZWCW-UHFFFAOYSA-N -1 3 377.824 3.802 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001472289010 1073401598 /nfs/dbraw/zinc/40/15/98/1073401598.db2.gz VYCRJBPITQUVSU-KKUMJFAQSA-N -1 3 387.505 3.514 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(Br)cc1F ZINC001472288242 1073401622 /nfs/dbraw/zinc/40/16/22/1073401622.db2.gz GOCOLKKQQIEUSA-UMSPYCQHSA-N -1 3 394.244 3.540 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H](C)Sc3ccccn3)n[n-]2)cc1 ZINC001472357747 1073443739 /nfs/dbraw/zinc/44/37/39/1073443739.db2.gz SVHVDLUIIAKNAJ-CYBMUJFWSA-N -1 3 385.518 3.920 20 0 GHADHM CCc1cccc(C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001472438630 1073489573 /nfs/dbraw/zinc/48/95/73/1073489573.db2.gz WCKAEASXQWBQLA-MRXNPFEDSA-N -1 3 376.497 3.816 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)n[n-]2)o1 ZINC001472525747 1073531450 /nfs/dbraw/zinc/53/14/50/1073531450.db2.gz DMJHEWSNISZJIC-GOSISDBHSA-N -1 3 385.811 3.548 20 0 GHADHM Cc1nsc(C)c1CN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001473727693 1074112161 /nfs/dbraw/zinc/11/21/61/1074112161.db2.gz MISMOEIUANPHNF-ZDUSSCGKSA-N -1 3 383.439 3.932 20 0 GHADHM CCN(Cc1cccc(Br)c1F)Cc1c([O-])c(C)ncc1CO ZINC001474717751 1074531867 /nfs/dbraw/zinc/53/18/67/1074531867.db2.gz RQQKKWAISODZCU-UHFFFAOYSA-N -1 3 383.261 3.512 20 0 GHADHM O=S(=O)([N-]C1CCC(c2ccccc2)CC1)c1cccc(Br)n1 ZINC001474829013 1074582318 /nfs/dbraw/zinc/58/23/18/1074582318.db2.gz UWFMFBVVEBMBAJ-UHFFFAOYSA-N -1 3 395.322 3.849 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(COC(C)(C)C)c2)cc1F ZINC001474910265 1074628139 /nfs/dbraw/zinc/62/81/39/1074628139.db2.gz WRMMMCYUHDSJAI-UHFFFAOYSA-N -1 3 399.459 3.767 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCC(C)C)c1 ZINC001474927483 1074635765 /nfs/dbraw/zinc/63/57/65/1074635765.db2.gz KDVBMSAUBNFOLR-YOEHRIQHSA-N -1 3 385.501 3.886 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ccccc21)c1cc2nc(Cl)ncc2s1 ZINC001474946831 1074645226 /nfs/dbraw/zinc/64/52/26/1074645226.db2.gz PFPJHPRQDXJPFV-UHFFFAOYSA-N -1 3 389.889 3.976 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c(F)cc1Br ZINC001474981447 1074665969 /nfs/dbraw/zinc/66/59/69/1074665969.db2.gz OUDBMPFLTYAJSU-BBRMVZONSA-N -1 3 398.297 3.806 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccns1)c1ccccc1Cl ZINC001475012095 1074682485 /nfs/dbraw/zinc/68/24/85/1074682485.db2.gz CBCBGKBHYMVLRW-KRWDZBQOSA-N -1 3 394.905 3.873 20 0 GHADHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001475049674 1074709888 /nfs/dbraw/zinc/70/98/88/1074709888.db2.gz UVCRYGOELODFLM-CHWSQXEVSA-N -1 3 386.926 3.555 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C)c1Cl ZINC001475075155 1074725499 /nfs/dbraw/zinc/72/54/99/1074725499.db2.gz DUUWIQXCJYXHEF-CYBMUJFWSA-N -1 3 396.336 3.946 20 0 GHADHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001475076013 1074726034 /nfs/dbraw/zinc/72/60/34/1074726034.db2.gz HHLVOEMMCJPPEU-UHFFFAOYSA-N -1 3 391.386 3.862 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Sc2ccc(F)cc2)cc1)c1cscn1 ZINC001475134556 1074751872 /nfs/dbraw/zinc/75/18/72/1074751872.db2.gz GLEDLYLQHATBNV-UHFFFAOYSA-N -1 3 380.491 3.912 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2c2ccccc2)s1 ZINC001475300213 1074826958 /nfs/dbraw/zinc/82/69/58/1074826958.db2.gz AYTAZZJXPAONBN-HOTGVXAUSA-N -1 3 393.530 3.787 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1cc(C(F)(F)F)ccc1F ZINC001475375653 1074853480 /nfs/dbraw/zinc/85/34/80/1074853480.db2.gz MYPPOQWWNJUBRT-SMDDNHRTSA-N -1 3 377.334 3.818 20 0 GHADHM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001475484530 1074891631 /nfs/dbraw/zinc/89/16/31/1074891631.db2.gz ADUXTUNAAFQHPV-GFCCVEGCSA-N -1 3 377.268 3.827 20 0 GHADHM CCC([N-]S(=O)(=O)c1cc(Br)ccc1F)(C1CC1)C1CC1 ZINC001475497014 1074895662 /nfs/dbraw/zinc/89/56/62/1074895662.db2.gz VETNKAWCDLPYBE-UHFFFAOYSA-N -1 3 376.291 3.835 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCc2ccc(Cl)c(Cl)c2)c1 ZINC001475664881 1074995715 /nfs/dbraw/zinc/99/57/15/1074995715.db2.gz HHVVCLXRZPFGDB-UHFFFAOYSA-N -1 3 379.696 3.871 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1(C)CC1 ZINC001475752815 1075014622 /nfs/dbraw/zinc/01/46/22/1075014622.db2.gz NWIHCXDKTKHVRQ-QMMMGPOBSA-N -1 3 386.233 3.935 20 0 GHADHM CCc1cccc(Oc2ccc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cn2)c1 ZINC001475977327 1075061650 /nfs/dbraw/zinc/06/16/50/1075061650.db2.gz GQNHJMUMPVPNDK-UHFFFAOYSA-N -1 3 397.460 3.542 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1nc(C(F)(F)F)n[n-]1 ZINC001476076212 1075080412 /nfs/dbraw/zinc/08/04/12/1075080412.db2.gz HIAAYPXDECFOLC-ZETCQYMHSA-N -1 3 384.749 3.908 20 0 GHADHM O=C(Nc1ccccc1O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000022024266 207245344 /nfs/dbraw/zinc/24/53/44/207245344.db2.gz FWKCMMMYZJFSER-UHFFFAOYSA-N -1 3 386.404 3.584 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737449364 598829885 /nfs/dbraw/zinc/82/98/85/598829885.db2.gz WMSZPXIULPPWAM-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737449364 598829887 /nfs/dbraw/zinc/82/98/87/598829887.db2.gz WMSZPXIULPPWAM-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(CC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000737330754 598834381 /nfs/dbraw/zinc/83/43/81/598834381.db2.gz SLYMQUPAOJESHY-UHFFFAOYSA-N -1 3 395.513 3.824 20 0 GHADHM COc1ccccc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737137418 598834535 /nfs/dbraw/zinc/83/45/35/598834535.db2.gz HPFNMJWTBQCBDV-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM CC(=CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735449249 598839607 /nfs/dbraw/zinc/83/96/07/598839607.db2.gz NUXCVKXUWHCLAG-BUHFOSPRSA-N -1 3 399.458 3.711 20 0 GHADHM CCc1ccsc1C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736701625 598849608 /nfs/dbraw/zinc/84/96/08/598849608.db2.gz GDPGLBNNNGRREI-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036649 598884253 /nfs/dbraw/zinc/88/42/53/598884253.db2.gz FUJBHAAVNCXARP-LXSSAFMLSA-N -1 3 390.852 3.606 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036649 598884254 /nfs/dbraw/zinc/88/42/54/598884254.db2.gz FUJBHAAVNCXARP-LXSSAFMLSA-N -1 3 390.852 3.606 20 0 GHADHM COC(=O)c1ccc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000736947040 598902262 /nfs/dbraw/zinc/90/22/62/598902262.db2.gz BEQAACUYDVTNLP-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM COC(=O)c1ccc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000736947040 598902264 /nfs/dbraw/zinc/90/22/64/598902264.db2.gz BEQAACUYDVTNLP-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923574 598911050 /nfs/dbraw/zinc/91/10/50/598911050.db2.gz MWUHALGLPDGTLK-GKCIPKSASA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923574 598911052 /nfs/dbraw/zinc/91/10/52/598911052.db2.gz MWUHALGLPDGTLK-GKCIPKSASA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735925047 598911080 /nfs/dbraw/zinc/91/10/80/598911080.db2.gz WPHCWVAVJAULSV-WOJBJXKFSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735925047 598911082 /nfs/dbraw/zinc/91/10/82/598911082.db2.gz WPHCWVAVJAULSV-WOJBJXKFSA-N -1 3 375.476 3.752 20 0 GHADHM Cc1cc(NCc2cc(C(C)C)no2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737281222 598915397 /nfs/dbraw/zinc/91/53/97/598915397.db2.gz RQZLSLINSMDJBE-UHFFFAOYSA-N -1 3 388.435 3.700 20 0 GHADHM Cc1cc(NCc2cc(C(C)C)no2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737281222 598915398 /nfs/dbraw/zinc/91/53/98/598915398.db2.gz RQZLSLINSMDJBE-UHFFFAOYSA-N -1 3 388.435 3.700 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccc(Cl)s1 ZINC000736362974 598923241 /nfs/dbraw/zinc/92/32/41/598923241.db2.gz LOZUBRJBKHQZFZ-SNVBAGLBSA-N -1 3 392.872 3.863 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccc(Cl)s1 ZINC000736362974 598923242 /nfs/dbraw/zinc/92/32/42/598923242.db2.gz LOZUBRJBKHQZFZ-SNVBAGLBSA-N -1 3 392.872 3.863 20 0 GHADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000735670172 598923904 /nfs/dbraw/zinc/92/39/04/598923904.db2.gz HDSLRFKUWODKRO-UHFFFAOYSA-N -1 3 396.520 3.580 20 0 GHADHM CC(C)(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000735670172 598923906 /nfs/dbraw/zinc/92/39/06/598923906.db2.gz HDSLRFKUWODKRO-UHFFFAOYSA-N -1 3 396.520 3.580 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736421358 598927643 /nfs/dbraw/zinc/92/76/43/598927643.db2.gz AVVWHXONXDWTIE-OAHLLOKOSA-N -1 3 379.464 3.706 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736421358 598927644 /nfs/dbraw/zinc/92/76/44/598927644.db2.gz AVVWHXONXDWTIE-OAHLLOKOSA-N -1 3 379.464 3.706 20 0 GHADHM CC1(CNC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCCC1 ZINC000736217128 598927702 /nfs/dbraw/zinc/92/77/02/598927702.db2.gz RTWDPRZZBAUMQD-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM CC1(CNC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCCC1 ZINC000736217128 598927704 /nfs/dbraw/zinc/92/77/04/598927704.db2.gz RTWDPRZZBAUMQD-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738044841 598928509 /nfs/dbraw/zinc/92/85/09/598928509.db2.gz LZWHJKGOIAVUIA-MRXNPFEDSA-N -1 3 389.459 3.532 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738044841 598928510 /nfs/dbraw/zinc/92/85/10/598928510.db2.gz LZWHJKGOIAVUIA-MRXNPFEDSA-N -1 3 389.459 3.532 20 0 GHADHM O=C(Nc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1)c1ccco1 ZINC000738173799 598935292 /nfs/dbraw/zinc/93/52/92/598935292.db2.gz FWZMMXSCLSUNTR-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM O=C(Nc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1)c1ccco1 ZINC000738173799 598935294 /nfs/dbraw/zinc/93/52/94/598935294.db2.gz FWZMMXSCLSUNTR-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1cccc2cccnc21 ZINC000737031947 598938246 /nfs/dbraw/zinc/93/82/46/598938246.db2.gz GAANSDDMNMFNTR-UHFFFAOYSA-N -1 3 379.445 3.595 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1cccc2cccnc21 ZINC000737031947 598938248 /nfs/dbraw/zinc/93/82/48/598938248.db2.gz GAANSDDMNMFNTR-UHFFFAOYSA-N -1 3 379.445 3.595 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1cccc(OCc2ccccn2)c1 ZINC000737558960 598937422 /nfs/dbraw/zinc/93/74/22/598937422.db2.gz UDMJVOIWWSSMLH-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1cccc(OCc2ccccn2)c1 ZINC000737558960 598937423 /nfs/dbraw/zinc/93/74/23/598937423.db2.gz UDMJVOIWWSSMLH-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CC=CC1 ZINC000737270204 598940220 /nfs/dbraw/zinc/94/02/20/598940220.db2.gz LIAADHFYDMMMSX-UHFFFAOYSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CC=CC1 ZINC000737270204 598940221 /nfs/dbraw/zinc/94/02/21/598940221.db2.gz LIAADHFYDMMMSX-UHFFFAOYSA-N -1 3 377.423 3.814 20 0 GHADHM CCCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736451059 598959725 /nfs/dbraw/zinc/95/97/25/598959725.db2.gz GIFOWFDIWGYHFS-IBGZPJMESA-N -1 3 399.520 3.809 20 0 GHADHM CCCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736451059 598959727 /nfs/dbraw/zinc/95/97/27/598959727.db2.gz GIFOWFDIWGYHFS-IBGZPJMESA-N -1 3 399.520 3.809 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737427519 598966942 /nfs/dbraw/zinc/96/69/42/598966942.db2.gz RQJPXKBWBVSQMC-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737427519 598966943 /nfs/dbraw/zinc/96/69/43/598966943.db2.gz RQJPXKBWBVSQMC-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736268974 598998396 /nfs/dbraw/zinc/99/83/96/598998396.db2.gz YRHNKEGFRCWENO-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000737196462 599004556 /nfs/dbraw/zinc/00/45/56/599004556.db2.gz KEACUMGOQKUKDJ-RHDGDCLCSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000737196462 599004558 /nfs/dbraw/zinc/00/45/58/599004558.db2.gz KEACUMGOQKUKDJ-RHDGDCLCSA-N -1 3 391.475 3.754 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736323774 599005884 /nfs/dbraw/zinc/00/58/84/599005884.db2.gz YPXMXLBDOUVEBU-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736323774 599005885 /nfs/dbraw/zinc/00/58/85/599005885.db2.gz YPXMXLBDOUVEBU-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736322915 599005942 /nfs/dbraw/zinc/00/59/42/599005942.db2.gz RBPNICHRGBHNEC-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CC(C)[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735723501 599006613 /nfs/dbraw/zinc/00/66/13/599006613.db2.gz YWZRJIPGUHGODC-LJQANCHMSA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735723501 599006615 /nfs/dbraw/zinc/00/66/15/599006615.db2.gz YWZRJIPGUHGODC-LJQANCHMSA-N -1 3 383.883 3.966 20 0 GHADHM c1cncc(-c2noc(-c3cccc(COc4cccc(-c5nnn[n-]5)c4)c3)n2)c1 ZINC000738445613 599010929 /nfs/dbraw/zinc/01/09/29/599010929.db2.gz KMWHTLDRGPRPCB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cncc(-c2noc(-c3cccc(COc4cccc(-c5nn[n-]n5)c4)c3)n2)c1 ZINC000738445613 599010931 /nfs/dbraw/zinc/01/09/31/599010931.db2.gz KMWHTLDRGPRPCB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H](C)c1cccnc1 ZINC000736508039 599013675 /nfs/dbraw/zinc/01/36/75/599013675.db2.gz IKLOULOXVGJBGF-NSHDSACASA-N -1 3 387.900 3.695 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H](C)c1cccnc1 ZINC000736508039 599013677 /nfs/dbraw/zinc/01/36/77/599013677.db2.gz IKLOULOXVGJBGF-NSHDSACASA-N -1 3 387.900 3.695 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502583 599015787 /nfs/dbraw/zinc/01/57/87/599015787.db2.gz OENBJTROIQGTNR-HNAYVOBHSA-N -1 3 375.476 3.896 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502583 599015788 /nfs/dbraw/zinc/01/57/88/599015788.db2.gz OENBJTROIQGTNR-HNAYVOBHSA-N -1 3 375.476 3.896 20 0 GHADHM Cc1cccc([C@H](C)CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737391243 599040661 /nfs/dbraw/zinc/04/06/61/599040661.db2.gz YRGKJIYCPWFZGR-QGZVFWFLSA-N -1 3 393.491 3.644 20 0 GHADHM Cc1cccc([C@H](C)CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737391243 599040663 /nfs/dbraw/zinc/04/06/63/599040663.db2.gz YRGKJIYCPWFZGR-QGZVFWFLSA-N -1 3 393.491 3.644 20 0 GHADHM CO[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000821676883 599046072 /nfs/dbraw/zinc/04/60/72/599046072.db2.gz JKKLUCSIRMNBDL-KRWDZBQOSA-N -1 3 380.839 3.868 20 0 GHADHM CO[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000821676883 599046075 /nfs/dbraw/zinc/04/60/75/599046075.db2.gz JKKLUCSIRMNBDL-KRWDZBQOSA-N -1 3 380.839 3.868 20 0 GHADHM CN(CCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736792771 599046831 /nfs/dbraw/zinc/04/68/31/599046831.db2.gz NZIQPFWGSULZCM-UHFFFAOYSA-N -1 3 391.401 3.609 20 0 GHADHM CN(CCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736792771 599046834 /nfs/dbraw/zinc/04/68/34/599046834.db2.gz NZIQPFWGSULZCM-UHFFFAOYSA-N -1 3 391.401 3.609 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1OCC1CCOCC1 ZINC000737362517 599050327 /nfs/dbraw/zinc/05/03/27/599050327.db2.gz SEKBLADCVKSCRZ-UHFFFAOYSA-N -1 3 379.464 3.593 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1OCC1CCOCC1 ZINC000737362517 599050330 /nfs/dbraw/zinc/05/03/30/599050330.db2.gz SEKBLADCVKSCRZ-UHFFFAOYSA-N -1 3 379.464 3.593 20 0 GHADHM CC(C)COC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000735838420 599050564 /nfs/dbraw/zinc/05/05/64/599050564.db2.gz PSACDVBKABWHER-LBPRGKRZSA-N -1 3 396.373 3.699 20 0 GHADHM CC(C)COC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000735838420 599050567 /nfs/dbraw/zinc/05/05/67/599050567.db2.gz PSACDVBKABWHER-LBPRGKRZSA-N -1 3 396.373 3.699 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000737631471 599053039 /nfs/dbraw/zinc/05/30/39/599053039.db2.gz DHUPBSOQNAAWNK-UKRRQHHQSA-N -1 3 390.369 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000737631471 599053042 /nfs/dbraw/zinc/05/30/42/599053042.db2.gz DHUPBSOQNAAWNK-UKRRQHHQSA-N -1 3 390.369 3.613 20 0 GHADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccccn2)n1 ZINC000821475935 599057370 /nfs/dbraw/zinc/05/73/70/599057370.db2.gz DOCOUAIZQNSSRJ-UHFFFAOYSA-N -1 3 379.424 3.571 20 0 GHADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccccn2)n1 ZINC000821475935 599057373 /nfs/dbraw/zinc/05/73/73/599057373.db2.gz DOCOUAIZQNSSRJ-UHFFFAOYSA-N -1 3 379.424 3.571 20 0 GHADHM CN(C)[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736760204 599058805 /nfs/dbraw/zinc/05/88/05/599058805.db2.gz QJZBHSGBWZPIIC-OAHLLOKOSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736760204 599058807 /nfs/dbraw/zinc/05/88/07/599058807.db2.gz QJZBHSGBWZPIIC-OAHLLOKOSA-N -1 3 378.814 3.513 20 0 GHADHM Cc1cccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737390369 599061436 /nfs/dbraw/zinc/06/14/36/599061436.db2.gz SQVOMVCTNJTCPV-MRXNPFEDSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1cccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737390369 599061439 /nfs/dbraw/zinc/06/14/39/599061439.db2.gz SQVOMVCTNJTCPV-MRXNPFEDSA-N -1 3 390.491 3.653 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCCc2ccccc21 ZINC000736739016 599066362 /nfs/dbraw/zinc/06/63/62/599066362.db2.gz GXJJGRFVEMWIGY-KRWDZBQOSA-N -1 3 397.479 3.634 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCCc2ccccc21 ZINC000736739016 599066366 /nfs/dbraw/zinc/06/63/66/599066366.db2.gz GXJJGRFVEMWIGY-KRWDZBQOSA-N -1 3 397.479 3.634 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)s1 ZINC000736678278 599071032 /nfs/dbraw/zinc/07/10/32/599071032.db2.gz BDUMOYORGHASAV-MNOVXSKESA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)s1 ZINC000736678278 599071035 /nfs/dbraw/zinc/07/10/35/599071035.db2.gz BDUMOYORGHASAV-MNOVXSKESA-N -1 3 375.404 3.511 20 0 GHADHM CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736351638 599076873 /nfs/dbraw/zinc/07/68/73/599076873.db2.gz QDRWMCUMFLVWOM-KXBFYZLASA-N -1 3 393.491 3.507 20 0 GHADHM CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736358239 599076948 /nfs/dbraw/zinc/07/69/48/599076948.db2.gz RVJVEMISYVEOBQ-IBGZPJMESA-N -1 3 377.492 3.672 20 0 GHADHM CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736358239 599076951 /nfs/dbraw/zinc/07/69/51/599076951.db2.gz RVJVEMISYVEOBQ-IBGZPJMESA-N -1 3 377.492 3.672 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)[C@@H]1C ZINC000736264235 599081914 /nfs/dbraw/zinc/08/19/14/599081914.db2.gz CKKZUICDCFHOFX-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)[C@@H]1C ZINC000736264235 599081917 /nfs/dbraw/zinc/08/19/17/599081917.db2.gz CKKZUICDCFHOFX-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000737941480 599086190 /nfs/dbraw/zinc/08/61/90/599086190.db2.gz CNKXEXHXGZTDEJ-UHFFFAOYSA-N -1 3 397.504 3.913 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000737941480 599086193 /nfs/dbraw/zinc/08/61/93/599086193.db2.gz CNKXEXHXGZTDEJ-UHFFFAOYSA-N -1 3 397.504 3.913 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736232336 599101286 /nfs/dbraw/zinc/10/12/86/599101286.db2.gz CPFHZSYZGBQHMO-GDBMZVCRSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736232336 599101287 /nfs/dbraw/zinc/10/12/87/599101287.db2.gz CPFHZSYZGBQHMO-GDBMZVCRSA-N -1 3 393.495 3.833 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC000737336146 599104967 /nfs/dbraw/zinc/10/49/67/599104967.db2.gz XXVZCRIUBOLLBP-HXUWFJFHSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC000737336146 599104969 /nfs/dbraw/zinc/10/49/69/599104969.db2.gz XXVZCRIUBOLLBP-HXUWFJFHSA-N -1 3 399.458 3.676 20 0 GHADHM Ic1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822796682 599126046 /nfs/dbraw/zinc/12/60/46/599126046.db2.gz VPVIRTONAMWVJM-UHFFFAOYSA-N -1 3 394.241 3.764 20 0 GHADHM Ic1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822796682 599126047 /nfs/dbraw/zinc/12/60/47/599126047.db2.gz VPVIRTONAMWVJM-UHFFFAOYSA-N -1 3 394.241 3.764 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821399805 599144407 /nfs/dbraw/zinc/14/44/07/599144407.db2.gz BUKKLEAYCVTUFR-CYBMUJFWSA-N -1 3 383.427 3.612 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000821399805 599144410 /nfs/dbraw/zinc/14/44/10/599144410.db2.gz BUKKLEAYCVTUFR-CYBMUJFWSA-N -1 3 383.427 3.612 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822232941 599149309 /nfs/dbraw/zinc/14/93/09/599149309.db2.gz FDFORDDSGQJNJG-PKOBYXMFSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822232941 599149310 /nfs/dbraw/zinc/14/93/10/599149310.db2.gz FDFORDDSGQJNJG-PKOBYXMFSA-N -1 3 377.448 3.590 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000819864979 599152502 /nfs/dbraw/zinc/15/25/02/599152502.db2.gz BDPVKZGQDQGPHF-JTQLQIEISA-N -1 3 377.326 3.796 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000819864979 599152504 /nfs/dbraw/zinc/15/25/04/599152504.db2.gz BDPVKZGQDQGPHF-JTQLQIEISA-N -1 3 377.326 3.796 20 0 GHADHM Clc1cc(Cl)cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737566478 599158184 /nfs/dbraw/zinc/15/81/84/599158184.db2.gz TXSZKTNIKYGMDU-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cc(Cl)cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737566478 599158185 /nfs/dbraw/zinc/15/81/85/599158185.db2.gz TXSZKTNIKYGMDU-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820870655 599160106 /nfs/dbraw/zinc/16/01/06/599160106.db2.gz WWHMGIPVVCITDI-KBPBESRZSA-N -1 3 383.452 3.593 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233230 599162302 /nfs/dbraw/zinc/16/23/02/599162302.db2.gz KWLCMFBCJVNXLL-VQTJNVASSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233230 599162305 /nfs/dbraw/zinc/16/23/05/599162305.db2.gz KWLCMFBCJVNXLL-VQTJNVASSA-N -1 3 375.476 3.512 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737919703 599162903 /nfs/dbraw/zinc/16/29/03/599162903.db2.gz XMRXJJAOOBXKTH-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM CSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737193113 599166983 /nfs/dbraw/zinc/16/69/83/599166983.db2.gz WWCZLYMXFXLOPK-SNVBAGLBSA-N -1 3 389.481 3.847 20 0 GHADHM CSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737193113 599166984 /nfs/dbraw/zinc/16/69/84/599166984.db2.gz WWCZLYMXFXLOPK-SNVBAGLBSA-N -1 3 389.481 3.847 20 0 GHADHM CCc1sc(=O)n(Cc2cc(-c3nnn[n-]3)ccc2F)c1-c1ccccc1 ZINC000736712329 599173202 /nfs/dbraw/zinc/17/32/02/599173202.db2.gz DAVUXDHXQMSHKD-UHFFFAOYSA-N -1 3 381.436 3.507 20 0 GHADHM CCc1sc(=O)n(Cc2cc(-c3nn[n-]n3)ccc2F)c1-c1ccccc1 ZINC000736712329 599173203 /nfs/dbraw/zinc/17/32/03/599173203.db2.gz DAVUXDHXQMSHKD-UHFFFAOYSA-N -1 3 381.436 3.507 20 0 GHADHM Cc1sc2nc(CSc3ccc(-c4nnn[n-]4)cc3F)nc(N)c2c1C ZINC000737563696 599174042 /nfs/dbraw/zinc/17/40/42/599174042.db2.gz PBSNHJRRKHQLMK-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM Cc1sc2nc(CSc3ccc(-c4nn[n-]n4)cc3F)nc(N)c2c1C ZINC000737563696 599174043 /nfs/dbraw/zinc/17/40/43/599174043.db2.gz PBSNHJRRKHQLMK-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192419 599177995 /nfs/dbraw/zinc/17/79/95/599177995.db2.gz NDQRTVULSUNNDP-MSOLQXFVSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192419 599177996 /nfs/dbraw/zinc/17/79/96/599177996.db2.gz NDQRTVULSUNNDP-MSOLQXFVSA-N -1 3 379.439 3.549 20 0 GHADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)s1 ZINC000736495807 599178201 /nfs/dbraw/zinc/17/82/01/599178201.db2.gz QVJWDGPGKDCNKQ-SECBINFHSA-N -1 3 388.522 3.714 20 0 GHADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)s1 ZINC000736495807 599178203 /nfs/dbraw/zinc/17/82/03/599178203.db2.gz QVJWDGPGKDCNKQ-SECBINFHSA-N -1 3 388.522 3.714 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Sc1ccccc1 ZINC000738116818 599180786 /nfs/dbraw/zinc/18/07/86/599180786.db2.gz LORLHDFZYPZODI-UHFFFAOYSA-N -1 3 387.468 3.948 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Sc1ccccc1 ZINC000738116818 599180790 /nfs/dbraw/zinc/18/07/90/599180790.db2.gz LORLHDFZYPZODI-UHFFFAOYSA-N -1 3 387.468 3.948 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192266 599180921 /nfs/dbraw/zinc/18/09/21/599180921.db2.gz HHZDSCSRQDWORB-CQSZACIVSA-N -1 3 381.455 3.939 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192266 599180924 /nfs/dbraw/zinc/18/09/24/599180924.db2.gz HHZDSCSRQDWORB-CQSZACIVSA-N -1 3 381.455 3.939 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095257 599182256 /nfs/dbraw/zinc/18/22/56/599182256.db2.gz DCMHKAXUQOGTDY-VXGBXAGGSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095257 599182257 /nfs/dbraw/zinc/18/22/57/599182257.db2.gz DCMHKAXUQOGTDY-VXGBXAGGSA-N -1 3 389.381 3.866 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823350298 599189559 /nfs/dbraw/zinc/18/95/59/599189559.db2.gz HYUBLPRNWPWPBE-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823350298 599189562 /nfs/dbraw/zinc/18/95/62/599189562.db2.gz HYUBLPRNWPWPBE-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736171432 599196735 /nfs/dbraw/zinc/19/67/35/599196735.db2.gz VZLSCXHLDUWTLD-INIZCTEOSA-N -1 3 393.491 3.506 20 0 GHADHM Cc1cc(F)cc2[nH]c(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc21 ZINC000737261897 599199751 /nfs/dbraw/zinc/19/97/51/599199751.db2.gz CKCUKRZKLLRUBV-UHFFFAOYSA-N -1 3 390.422 3.600 20 0 GHADHM Cc1cc(F)cc2[nH]c(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cc21 ZINC000737261897 599199754 /nfs/dbraw/zinc/19/97/54/599199754.db2.gz CKCUKRZKLLRUBV-UHFFFAOYSA-N -1 3 390.422 3.600 20 0 GHADHM O=[S@@](Cc1cccc(Nc2ccc(-c3nnn[n-]3)cn2)c1)C1CCCCC1 ZINC000738356479 599207511 /nfs/dbraw/zinc/20/75/11/599207511.db2.gz CWGZVKMVRCABDT-MHZLTWQESA-N -1 3 382.493 3.587 20 0 GHADHM O=[S@@](Cc1cccc(Nc2ccc(-c3nn[n-]n3)cn2)c1)C1CCCCC1 ZINC000738356479 599207514 /nfs/dbraw/zinc/20/75/14/599207514.db2.gz CWGZVKMVRCABDT-MHZLTWQESA-N -1 3 382.493 3.587 20 0 GHADHM O=C(c1cccnc1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738286506 599211518 /nfs/dbraw/zinc/21/15/18/599211518.db2.gz PUOMEOXAQMPYGD-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1cccnc1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738286506 599211520 /nfs/dbraw/zinc/21/15/20/599211520.db2.gz PUOMEOXAQMPYGD-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821460755 599218173 /nfs/dbraw/zinc/21/81/73/599218173.db2.gz BPGCOBDGRBIMAW-AWEZNQCLSA-N -1 3 381.505 3.795 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821460755 599218176 /nfs/dbraw/zinc/21/81/76/599218176.db2.gz BPGCOBDGRBIMAW-AWEZNQCLSA-N -1 3 381.505 3.795 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821461731 599218368 /nfs/dbraw/zinc/21/83/68/599218368.db2.gz RQQJNBGNSLKEJQ-CQSZACIVSA-N -1 3 397.504 3.921 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461731 599218369 /nfs/dbraw/zinc/21/83/69/599218369.db2.gz RQQJNBGNSLKEJQ-CQSZACIVSA-N -1 3 397.504 3.921 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822950008 599219342 /nfs/dbraw/zinc/21/93/42/599219342.db2.gz BTHZBEGPSJADBX-AWEZNQCLSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822950008 599219344 /nfs/dbraw/zinc/21/93/44/599219344.db2.gz BTHZBEGPSJADBX-AWEZNQCLSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Oc2ccccn2)c1 ZINC000822935254 599221359 /nfs/dbraw/zinc/22/13/59/599221359.db2.gz IQTNLUJUJHYAAI-VAWYXSNFSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(Oc2ccccn2)c1 ZINC000822935254 599221361 /nfs/dbraw/zinc/22/13/61/599221361.db2.gz IQTNLUJUJHYAAI-VAWYXSNFSA-N -1 3 384.399 3.706 20 0 GHADHM Cc1cncc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)c1 ZINC000822399197 599221725 /nfs/dbraw/zinc/22/17/25/599221725.db2.gz CATHWHBWNPFAEE-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cncc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)c1 ZINC000822399197 599221727 /nfs/dbraw/zinc/22/17/27/599221727.db2.gz CATHWHBWNPFAEE-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822231765 599221945 /nfs/dbraw/zinc/22/19/45/599221945.db2.gz GRQYINAKDOPPAF-YEWWUXTCSA-N -1 3 395.463 3.535 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1nc(Cc2ccccc2)no1 ZINC000820548475 599222334 /nfs/dbraw/zinc/22/23/34/599222334.db2.gz AOFYDYSIZLNLDC-GFCCVEGCSA-N -1 3 396.451 3.974 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1nc(Cc2ccccc2)no1 ZINC000820548475 599222336 /nfs/dbraw/zinc/22/23/36/599222336.db2.gz AOFYDYSIZLNLDC-GFCCVEGCSA-N -1 3 396.451 3.974 20 0 GHADHM CCOc1cccc(NC(=S)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821430710 599226171 /nfs/dbraw/zinc/22/61/71/599226171.db2.gz FESUJJIEANRHDP-UHFFFAOYSA-N -1 3 396.520 3.873 20 0 GHADHM CCOc1cccc(NC(=S)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821430710 599226174 /nfs/dbraw/zinc/22/61/74/599226174.db2.gz FESUJJIEANRHDP-UHFFFAOYSA-N -1 3 396.520 3.873 20 0 GHADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738207556 599231703 /nfs/dbraw/zinc/23/17/03/599231703.db2.gz DKKSJERYTCPZKM-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM O=C(Nc1nc2ccccc2n1-c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738207556 599231704 /nfs/dbraw/zinc/23/17/04/599231704.db2.gz DKKSJERYTCPZKM-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736353633 599232838 /nfs/dbraw/zinc/23/28/38/599232838.db2.gz OYVLZWLBUJQSEF-GOSISDBHSA-N -1 3 395.532 3.747 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736353633 599232840 /nfs/dbraw/zinc/23/28/40/599232840.db2.gz OYVLZWLBUJQSEF-GOSISDBHSA-N -1 3 395.532 3.747 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821825369 599226963 /nfs/dbraw/zinc/22/69/63/599226963.db2.gz YRYNVVOSDHNNOR-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821825369 599226966 /nfs/dbraw/zinc/22/69/66/599226966.db2.gz YRYNVVOSDHNNOR-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1CC(F)(F)F ZINC000737853375 599227723 /nfs/dbraw/zinc/22/77/23/599227723.db2.gz LAAKFOPVSVKAEB-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CC(F)(F)F ZINC000737853375 599227725 /nfs/dbraw/zinc/22/77/25/599227725.db2.gz LAAKFOPVSVKAEB-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1sccc1-c1nnn[n-]1 ZINC000738212529 599228057 /nfs/dbraw/zinc/22/80/57/599228057.db2.gz QZLNJRVKNDKIJS-SREVYHEPSA-N -1 3 380.458 3.807 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1sccc1-c1nn[n-]n1 ZINC000738212529 599228058 /nfs/dbraw/zinc/22/80/58/599228058.db2.gz QZLNJRVKNDKIJS-SREVYHEPSA-N -1 3 380.458 3.807 20 0 GHADHM Cc1cccc(C)c1NCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737390383 599239500 /nfs/dbraw/zinc/23/95/00/599239500.db2.gz PRQDMEGVDNUQAT-UHFFFAOYSA-N -1 3 392.507 3.580 20 0 GHADHM Cc1cccc(C)c1NCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737390383 599239501 /nfs/dbraw/zinc/23/95/01/599239501.db2.gz PRQDMEGVDNUQAT-UHFFFAOYSA-N -1 3 392.507 3.580 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737796509 599235048 /nfs/dbraw/zinc/23/50/48/599235048.db2.gz BXKLPZXIHXMIKS-XFXZXTDPSA-N -1 3 393.422 3.979 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000737796509 599235051 /nfs/dbraw/zinc/23/50/51/599235051.db2.gz BXKLPZXIHXMIKS-XFXZXTDPSA-N -1 3 393.422 3.979 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000820197601 599239996 /nfs/dbraw/zinc/23/99/96/599239996.db2.gz MPNVGILPGIEZIL-AWEZNQCLSA-N -1 3 397.508 3.858 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000820197601 599240000 /nfs/dbraw/zinc/24/00/00/599240000.db2.gz MPNVGILPGIEZIL-AWEZNQCLSA-N -1 3 397.508 3.858 20 0 GHADHM Cc1nc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)oc1-c1ccccc1 ZINC000822436580 607269443 /nfs/dbraw/zinc/26/94/43/607269443.db2.gz OAQNKHBFYWDBLH-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1nc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)oc1-c1ccccc1 ZINC000822436580 607269444 /nfs/dbraw/zinc/26/94/44/607269444.db2.gz OAQNKHBFYWDBLH-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1sc(NC(=O)C=Cc2ccnc3ccccc23)c(-c2nnn[n-]2)c1C ZINC000737562482 599246058 /nfs/dbraw/zinc/24/60/58/599246058.db2.gz NDSAKDABDJDMAN-FPLPWBNLSA-N -1 3 376.445 3.745 20 0 GHADHM Cc1sc(NC(=O)C=Cc2ccnc3ccccc23)c(-c2nn[n-]n2)c1C ZINC000737562482 599246061 /nfs/dbraw/zinc/24/60/61/599246061.db2.gz NDSAKDABDJDMAN-FPLPWBNLSA-N -1 3 376.445 3.745 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822207288 599250823 /nfs/dbraw/zinc/25/08/23/599250823.db2.gz QOUZBVVIMNHEGQ-OAHLLOKOSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822207288 599250826 /nfs/dbraw/zinc/25/08/26/599250826.db2.gz QOUZBVVIMNHEGQ-OAHLLOKOSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1c(NC(=O)N2CC(Cc3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000822084325 607282205 /nfs/dbraw/zinc/28/22/05/607282205.db2.gz ITUNAHPYWNOJRR-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1c(NC(=O)N2CC(Cc3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000822084325 607282206 /nfs/dbraw/zinc/28/22/06/607282206.db2.gz ITUNAHPYWNOJRR-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1c(NC(=O)c2cc3c(cccc3Br)[nH]2)cccc1-c1nnn[n-]1 ZINC000822110042 607295212 /nfs/dbraw/zinc/29/52/12/607295212.db2.gz UNKBYJYXHXGEMT-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1c(NC(=O)c2cc3c(cccc3Br)[nH]2)cccc1-c1nn[n-]n1 ZINC000822110042 607295213 /nfs/dbraw/zinc/29/52/13/607295213.db2.gz UNKBYJYXHXGEMT-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM CC(C)Nc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735891919 599274458 /nfs/dbraw/zinc/27/44/58/599274458.db2.gz AECLFIMCBROZMO-UHFFFAOYSA-N -1 3 386.456 3.557 20 0 GHADHM CC(C)Nc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735891919 599274459 /nfs/dbraw/zinc/27/44/59/599274459.db2.gz AECLFIMCBROZMO-UHFFFAOYSA-N -1 3 386.456 3.557 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(CCC)nc1C ZINC000736487912 599278739 /nfs/dbraw/zinc/27/87/39/599278739.db2.gz JSZMPQBBKUOSQG-UHFFFAOYSA-N -1 3 385.497 3.658 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823220159 599283122 /nfs/dbraw/zinc/28/31/22/599283122.db2.gz ZRRRQNLYBODBHI-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823220159 599283124 /nfs/dbraw/zinc/28/31/24/599283124.db2.gz ZRRRQNLYBODBHI-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccccc1 ZINC000736712802 599286105 /nfs/dbraw/zinc/28/61/05/599286105.db2.gz COSRFIORQZVJEH-ZDUSSCGKSA-N -1 3 377.477 3.998 20 0 GHADHM CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccc1 ZINC000736712802 599286106 /nfs/dbraw/zinc/28/61/06/599286106.db2.gz COSRFIORQZVJEH-ZDUSSCGKSA-N -1 3 377.477 3.998 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822061347 607321171 /nfs/dbraw/zinc/32/11/71/607321171.db2.gz MRXSQXGXSJURLI-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822061347 607321172 /nfs/dbraw/zinc/32/11/72/607321172.db2.gz MRXSQXGXSJURLI-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820373952 599290870 /nfs/dbraw/zinc/29/08/70/599290870.db2.gz LUZYOYUFKWTGGE-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820373952 599290873 /nfs/dbraw/zinc/29/08/73/599290873.db2.gz LUZYOYUFKWTGGE-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000820766264 607345995 /nfs/dbraw/zinc/34/59/95/607345995.db2.gz AXNADQLOPROUQY-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC000820766264 607345997 /nfs/dbraw/zinc/34/59/97/607345997.db2.gz AXNADQLOPROUQY-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccnc(OCc2ccccc2)c1 ZINC000737645015 598238616 /nfs/dbraw/zinc/23/86/16/598238616.db2.gz NRMYIUZXGIKXMB-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Clc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000737575492 598250857 /nfs/dbraw/zinc/25/08/57/598250857.db2.gz KYSJEEWKPLOZNP-UHFFFAOYSA-N -1 3 375.885 3.625 20 0 GHADHM CC(C)Cc1ccc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735850038 598272898 /nfs/dbraw/zinc/27/28/98/598272898.db2.gz NJQGTYAOPQPKNF-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM CC(C)Cc1ccc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735850038 598272900 /nfs/dbraw/zinc/27/29/00/598272900.db2.gz NJQGTYAOPQPKNF-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737408666 598273277 /nfs/dbraw/zinc/27/32/77/598273277.db2.gz JOMFRTCVPPWDEX-FQEVSTJZSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737408666 598273279 /nfs/dbraw/zinc/27/32/79/598273279.db2.gz JOMFRTCVPPWDEX-FQEVSTJZSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CC2)c1 ZINC000737400602 598275578 /nfs/dbraw/zinc/27/55/78/598275578.db2.gz UMGRTBWRUUCDEQ-UHFFFAOYSA-N -1 3 388.397 3.521 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735915918 598278283 /nfs/dbraw/zinc/27/82/83/598278283.db2.gz VUTFOUIOCACSGM-UHFFFAOYSA-N -1 3 397.483 3.532 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735915918 598278285 /nfs/dbraw/zinc/27/82/85/598278285.db2.gz VUTFOUIOCACSGM-UHFFFAOYSA-N -1 3 397.483 3.532 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cc(F)ccc1F ZINC000736115800 598278391 /nfs/dbraw/zinc/27/83/91/598278391.db2.gz JQZXDOXZGMUVRY-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cc(F)ccc1F ZINC000736115800 598278396 /nfs/dbraw/zinc/27/83/96/598278396.db2.gz JQZXDOXZGMUVRY-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM COc1ccc([C@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737072606 598278810 /nfs/dbraw/zinc/27/88/10/598278810.db2.gz NPXJPFGGNNVHSH-ZDUSSCGKSA-N -1 3 397.483 3.657 20 0 GHADHM COc1ccc([C@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737072606 598278812 /nfs/dbraw/zinc/27/88/12/598278812.db2.gz NPXJPFGGNNVHSH-ZDUSSCGKSA-N -1 3 397.483 3.657 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cc2ccccc2s1 ZINC000735661607 598280557 /nfs/dbraw/zinc/28/05/57/598280557.db2.gz OPYRSLLOMUPANB-UHFFFAOYSA-N -1 3 395.492 3.960 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cc2ccccc2s1 ZINC000735661607 598280559 /nfs/dbraw/zinc/28/05/59/598280559.db2.gz OPYRSLLOMUPANB-UHFFFAOYSA-N -1 3 395.492 3.960 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)sc2nccc(C)c12 ZINC000737446474 598280628 /nfs/dbraw/zinc/28/06/28/598280628.db2.gz XLTMFLDWORRXJE-UHFFFAOYSA-N -1 3 382.424 3.509 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)sc2nccc(C)c12 ZINC000737446474 598280631 /nfs/dbraw/zinc/28/06/31/598280631.db2.gz XLTMFLDWORRXJE-UHFFFAOYSA-N -1 3 382.424 3.509 20 0 GHADHM CCN(Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736554738 598281156 /nfs/dbraw/zinc/28/11/56/598281156.db2.gz BVXRLFOKJNMQDT-UHFFFAOYSA-N -1 3 381.484 3.786 20 0 GHADHM CCN(Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736554738 598281157 /nfs/dbraw/zinc/28/11/57/598281157.db2.gz BVXRLFOKJNMQDT-UHFFFAOYSA-N -1 3 381.484 3.786 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113405 598283402 /nfs/dbraw/zinc/28/34/02/598283402.db2.gz NEEAXNVHTFALMM-LIRRHRJNSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113405 598283403 /nfs/dbraw/zinc/28/34/03/598283403.db2.gz NEEAXNVHTFALMM-LIRRHRJNSA-N -1 3 376.464 3.695 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735874058 598293625 /nfs/dbraw/zinc/29/36/25/598293625.db2.gz LUNGNRVHYHWARA-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735874058 598293626 /nfs/dbraw/zinc/29/36/26/598293626.db2.gz LUNGNRVHYHWARA-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737317811 598300274 /nfs/dbraw/zinc/30/02/74/598300274.db2.gz NMQNANQUYRTMTR-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737317811 598300276 /nfs/dbraw/zinc/30/02/76/598300276.db2.gz NMQNANQUYRTMTR-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740058 598310057 /nfs/dbraw/zinc/31/00/57/598310057.db2.gz YVSZGNPLYKQFPG-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740058 598310058 /nfs/dbraw/zinc/31/00/58/598310058.db2.gz YVSZGNPLYKQFPG-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000736740541 598318727 /nfs/dbraw/zinc/31/87/27/598318727.db2.gz BALVXARCBVLRAT-INIZCTEOSA-N -1 3 384.896 3.836 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000736740541 598318729 /nfs/dbraw/zinc/31/87/29/598318729.db2.gz BALVXARCBVLRAT-INIZCTEOSA-N -1 3 384.896 3.836 20 0 GHADHM CCn1c2ccccc2nc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736714902 598319049 /nfs/dbraw/zinc/31/90/49/598319049.db2.gz VTOITRGEOPEZFO-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CCn1c2ccccc2nc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736714902 598319050 /nfs/dbraw/zinc/31/90/50/598319050.db2.gz VTOITRGEOPEZFO-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736327518 598321503 /nfs/dbraw/zinc/32/15/03/598321503.db2.gz MEABULHBYNZCHV-LHNRBYRGSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736327518 598321505 /nfs/dbraw/zinc/32/15/05/598321505.db2.gz MEABULHBYNZCHV-LHNRBYRGSA-N -1 3 378.432 3.801 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737377164 598322788 /nfs/dbraw/zinc/32/27/88/598322788.db2.gz LDLVWWFYABOGBU-MRXNPFEDSA-N -1 3 384.896 3.802 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737377164 598322790 /nfs/dbraw/zinc/32/27/90/598322790.db2.gz LDLVWWFYABOGBU-MRXNPFEDSA-N -1 3 384.896 3.802 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(Cl)cc2cccnc21 ZINC000738100757 598323535 /nfs/dbraw/zinc/32/35/35/598323535.db2.gz SLWTWXXKUMSEGL-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(Cl)cc2cccnc21 ZINC000738100757 598323536 /nfs/dbraw/zinc/32/35/36/598323536.db2.gz SLWTWXXKUMSEGL-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737334304 598327160 /nfs/dbraw/zinc/32/71/60/598327160.db2.gz ZGJRVXPUNHILNZ-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737334304 598327161 /nfs/dbraw/zinc/32/71/61/598327161.db2.gz ZGJRVXPUNHILNZ-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736271857 598327310 /nfs/dbraw/zinc/32/73/10/598327310.db2.gz OWCXMNGYBBCLEY-HOCLYGCPSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736271857 598327312 /nfs/dbraw/zinc/32/73/12/598327312.db2.gz OWCXMNGYBBCLEY-HOCLYGCPSA-N -1 3 395.463 3.595 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736793910 598330358 /nfs/dbraw/zinc/33/03/58/598330358.db2.gz OEEJQXCYUNVIFS-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736793910 598330360 /nfs/dbraw/zinc/33/03/60/598330360.db2.gz OEEJQXCYUNVIFS-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736391331 598358799 /nfs/dbraw/zinc/35/87/99/598358799.db2.gz MQSAJRVUELYVDA-INIZCTEOSA-N -1 3 396.447 3.762 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736391331 598358801 /nfs/dbraw/zinc/35/88/01/598358801.db2.gz MQSAJRVUELYVDA-INIZCTEOSA-N -1 3 396.447 3.762 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113473 598361865 /nfs/dbraw/zinc/36/18/65/598361865.db2.gz OLXLADWLORGKMU-UZLBHIALSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113473 598361867 /nfs/dbraw/zinc/36/18/67/598361867.db2.gz OLXLADWLORGKMU-UZLBHIALSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737389694 598365017 /nfs/dbraw/zinc/36/50/17/598365017.db2.gz NKGAYRSBMXTTAA-MRXNPFEDSA-N -1 3 375.476 3.864 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737389694 598365019 /nfs/dbraw/zinc/36/50/19/598365019.db2.gz NKGAYRSBMXTTAA-MRXNPFEDSA-N -1 3 375.476 3.864 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736111736 598370643 /nfs/dbraw/zinc/37/06/43/598370643.db2.gz NWDAHKCJZREBMK-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736111736 598370645 /nfs/dbraw/zinc/37/06/45/598370645.db2.gz NWDAHKCJZREBMK-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096138 598379553 /nfs/dbraw/zinc/37/95/53/598379553.db2.gz AJWXTCPBCBCVJE-FOIQADDNSA-N -1 3 391.475 3.744 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096138 598379555 /nfs/dbraw/zinc/37/95/55/598379555.db2.gz AJWXTCPBCBCVJE-FOIQADDNSA-N -1 3 391.475 3.744 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000737558619 598393891 /nfs/dbraw/zinc/39/38/91/598393891.db2.gz OXPJVGVZDBKFTM-WCQYABFASA-N -1 3 391.660 3.646 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000737558619 598393893 /nfs/dbraw/zinc/39/38/93/598393893.db2.gz OXPJVGVZDBKFTM-WCQYABFASA-N -1 3 391.660 3.646 20 0 GHADHM c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccc3c(c2)CCCO3)cc1 ZINC000738428613 598426954 /nfs/dbraw/zinc/42/69/54/598426954.db2.gz PNLNNDXZVBYWCB-NRFANRHFSA-N -1 3 384.443 3.788 20 0 GHADHM c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccc3c(c2)CCCO3)cc1 ZINC000738428613 598426956 /nfs/dbraw/zinc/42/69/56/598426956.db2.gz PNLNNDXZVBYWCB-NRFANRHFSA-N -1 3 384.443 3.788 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)c1ccccc1 ZINC000736016843 598428146 /nfs/dbraw/zinc/42/81/46/598428146.db2.gz DUVCYQSFCMXYGP-INIZCTEOSA-N -1 3 378.480 3.590 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)c1ccccc1 ZINC000736016843 598428147 /nfs/dbraw/zinc/42/81/47/598428147.db2.gz DUVCYQSFCMXYGP-INIZCTEOSA-N -1 3 378.480 3.590 20 0 GHADHM CCCCN(C)c1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453116 598428573 /nfs/dbraw/zinc/42/85/73/598428573.db2.gz MGBSPQPSDTXRSC-OAHLLOKOSA-N -1 3 393.495 3.542 20 0 GHADHM CCCCN(C)c1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453116 598428575 /nfs/dbraw/zinc/42/85/75/598428575.db2.gz MGBSPQPSDTXRSC-OAHLLOKOSA-N -1 3 393.495 3.542 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(OC)cc1C ZINC000736480899 598428830 /nfs/dbraw/zinc/42/88/30/598428830.db2.gz OOUFAQRRBNJZEA-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(OC)cc1C ZINC000736480899 598428832 /nfs/dbraw/zinc/42/88/32/598428832.db2.gz OOUFAQRRBNJZEA-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccccc1Cl ZINC000735874462 598429384 /nfs/dbraw/zinc/42/93/84/598429384.db2.gz PFRVWMNDDPLNDR-UHFFFAOYSA-N -1 3 398.898 3.683 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccccc1Cl ZINC000735874462 598429386 /nfs/dbraw/zinc/42/93/86/598429386.db2.gz PFRVWMNDDPLNDR-UHFFFAOYSA-N -1 3 398.898 3.683 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735839409 598465148 /nfs/dbraw/zinc/46/51/48/598465148.db2.gz SYJOQUWRAJGWPD-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735839409 598465150 /nfs/dbraw/zinc/46/51/50/598465150.db2.gz SYJOQUWRAJGWPD-UHFFFAOYSA-N -1 3 399.495 3.825 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116214 598469452 /nfs/dbraw/zinc/46/94/52/598469452.db2.gz DWEJFTVHCHMSBU-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116214 598469453 /nfs/dbraw/zinc/46/94/53/598469453.db2.gz DWEJFTVHCHMSBU-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738000082 598478870 /nfs/dbraw/zinc/47/88/70/598478870.db2.gz FEXYLSYUSJYWNT-FQEVSTJZSA-N -1 3 388.475 3.692 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738000082 598478872 /nfs/dbraw/zinc/47/88/72/598478872.db2.gz FEXYLSYUSJYWNT-FQEVSTJZSA-N -1 3 388.475 3.692 20 0 GHADHM C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158880 598491797 /nfs/dbraw/zinc/49/17/97/598491797.db2.gz JYDKGTYCWWZTAR-GFCCVEGCSA-N -1 3 380.452 3.614 20 0 GHADHM C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158880 598491798 /nfs/dbraw/zinc/49/17/98/598491798.db2.gz JYDKGTYCWWZTAR-GFCCVEGCSA-N -1 3 380.452 3.614 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(-c2ccoc2)n1 ZINC000735874055 598493107 /nfs/dbraw/zinc/49/31/07/598493107.db2.gz LUIXUCPTFFSUMA-UHFFFAOYSA-N -1 3 394.460 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(-c2ccoc2)n1 ZINC000735874055 598493109 /nfs/dbraw/zinc/49/31/09/598493109.db2.gz LUIXUCPTFFSUMA-UHFFFAOYSA-N -1 3 394.460 3.634 20 0 GHADHM CC(C)C[C@@H](C)CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735760303 598494342 /nfs/dbraw/zinc/49/43/42/598494342.db2.gz AMRSTBYTZMEWMT-CYBMUJFWSA-N -1 3 384.509 3.925 20 0 GHADHM CC(C)C[C@@H](C)CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735760303 598494345 /nfs/dbraw/zinc/49/43/45/598494345.db2.gz AMRSTBYTZMEWMT-CYBMUJFWSA-N -1 3 384.509 3.925 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000738288271 598497075 /nfs/dbraw/zinc/49/70/75/598497075.db2.gz BICXPEQIBALDFU-INIZCTEOSA-N -1 3 378.461 3.777 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000738288271 598497077 /nfs/dbraw/zinc/49/70/77/598497077.db2.gz BICXPEQIBALDFU-INIZCTEOSA-N -1 3 378.461 3.777 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000736685015 598497997 /nfs/dbraw/zinc/49/79/97/598497997.db2.gz CVJQPZPAGVBFQL-HNNXBMFYSA-N -1 3 375.476 3.724 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000736685015 598497999 /nfs/dbraw/zinc/49/79/99/598497999.db2.gz CVJQPZPAGVBFQL-HNNXBMFYSA-N -1 3 375.476 3.724 20 0 GHADHM Clc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737573602 598506812 /nfs/dbraw/zinc/50/68/12/598506812.db2.gz ACRWHCHGYCMKBA-HNNXBMFYSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737573602 598506813 /nfs/dbraw/zinc/50/68/13/598506813.db2.gz ACRWHCHGYCMKBA-HNNXBMFYSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737565749 598506901 /nfs/dbraw/zinc/50/69/01/598506901.db2.gz PXFWVQLXXXCOKO-MRXNPFEDSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737565749 598506903 /nfs/dbraw/zinc/50/69/03/598506903.db2.gz PXFWVQLXXXCOKO-MRXNPFEDSA-N -1 3 383.839 3.633 20 0 GHADHM CCCCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736440544 598508233 /nfs/dbraw/zinc/50/82/33/598508233.db2.gz DEGULRDKJPESJW-LJQANCHMSA-N -1 3 399.520 3.608 20 0 GHADHM CCCCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736440544 598508234 /nfs/dbraw/zinc/50/82/34/598508234.db2.gz DEGULRDKJPESJW-LJQANCHMSA-N -1 3 399.520 3.608 20 0 GHADHM Cn1ccc(CSCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1=O ZINC000737611712 598512069 /nfs/dbraw/zinc/51/20/69/598512069.db2.gz GFHVQEYLRNMPCA-UHFFFAOYSA-N -1 3 389.484 3.666 20 0 GHADHM Cn1ccc(CSCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1=O ZINC000737611712 598512071 /nfs/dbraw/zinc/51/20/71/598512071.db2.gz GFHVQEYLRNMPCA-UHFFFAOYSA-N -1 3 389.484 3.666 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000736670302 598515071 /nfs/dbraw/zinc/51/50/71/598515071.db2.gz MMKDNWFEECONES-UHFFFAOYSA-N -1 3 389.456 3.736 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000736670302 598515073 /nfs/dbraw/zinc/51/50/73/598515073.db2.gz MMKDNWFEECONES-UHFFFAOYSA-N -1 3 389.456 3.736 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc3cc(OC)ccc3n2)c1-c1nnn[n-]1 ZINC000736675761 598517340 /nfs/dbraw/zinc/51/73/40/598517340.db2.gz MEJLIKZLFQLFTH-UHFFFAOYSA-N -1 3 394.460 3.608 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc3cc(OC)ccc3n2)c1-c1nn[n-]n1 ZINC000736675761 598517341 /nfs/dbraw/zinc/51/73/41/598517341.db2.gz MEJLIKZLFQLFTH-UHFFFAOYSA-N -1 3 394.460 3.608 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2c(C)cc(C)cc2C)c1-c1nnn[n-]1 ZINC000736675311 598518544 /nfs/dbraw/zinc/51/85/44/598518544.db2.gz KBSKHEVCRCMSTG-UHFFFAOYSA-N -1 3 385.493 3.742 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000736675311 598518545 /nfs/dbraw/zinc/51/85/45/598518545.db2.gz KBSKHEVCRCMSTG-UHFFFAOYSA-N -1 3 385.493 3.742 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1CCc2c1cccc2Br ZINC000737557603 598523181 /nfs/dbraw/zinc/52/31/81/598523181.db2.gz GGBVYPLDVHOHPH-ZDUSSCGKSA-N -1 3 391.660 3.777 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1CCc2c1cccc2Br ZINC000737557603 598523182 /nfs/dbraw/zinc/52/31/82/598523182.db2.gz GGBVYPLDVHOHPH-ZDUSSCGKSA-N -1 3 391.660 3.777 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736813339 598533240 /nfs/dbraw/zinc/53/32/40/598533240.db2.gz JMODKEUGLFEDOZ-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736813339 598533242 /nfs/dbraw/zinc/53/32/42/598533242.db2.gz JMODKEUGLFEDOZ-NHCUHLMSSA-N -1 3 383.455 3.782 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CC)Cc1ccccc1 ZINC000736479316 598534481 /nfs/dbraw/zinc/53/44/81/598534481.db2.gz DYWYMIDLDDQLBL-FQEVSTJZSA-N -1 3 392.507 3.810 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC)Cc1ccccc1 ZINC000736479316 598534483 /nfs/dbraw/zinc/53/44/83/598534483.db2.gz DYWYMIDLDDQLBL-FQEVSTJZSA-N -1 3 392.507 3.810 20 0 GHADHM COc1cccc(C2(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)CCCC2)c1 ZINC000737128540 598543916 /nfs/dbraw/zinc/54/39/16/598543916.db2.gz OMQMUVXMEDLGBS-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM COc1cccc(C2(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)CCCC2)c1 ZINC000737128540 598543917 /nfs/dbraw/zinc/54/39/17/598543917.db2.gz OMQMUVXMEDLGBS-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000738144696 598547534 /nfs/dbraw/zinc/54/75/34/598547534.db2.gz DAGSKLIWKMBVOR-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000738144696 598547535 /nfs/dbraw/zinc/54/75/35/598547535.db2.gz DAGSKLIWKMBVOR-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM COC(=O)c1sc2ccccc2c1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736955969 598549395 /nfs/dbraw/zinc/54/93/95/598549395.db2.gz CWTCVBGRVAMECY-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM COC(=O)c1sc2ccccc2c1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736955969 598549396 /nfs/dbraw/zinc/54/93/96/598549396.db2.gz CWTCVBGRVAMECY-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM CSC[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000737180997 598553502 /nfs/dbraw/zinc/55/35/02/598553502.db2.gz VHUIXMZTQYBXSN-CQSZACIVSA-N -1 3 399.495 3.847 20 0 GHADHM CSC[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000737180997 598553504 /nfs/dbraw/zinc/55/35/04/598553504.db2.gz VHUIXMZTQYBXSN-CQSZACIVSA-N -1 3 399.495 3.847 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826234896 607360554 /nfs/dbraw/zinc/36/05/54/607360554.db2.gz SQSLYAXQHXWFAY-UHFFFAOYSA-N -1 3 396.790 3.614 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826234896 607360556 /nfs/dbraw/zinc/36/05/56/607360556.db2.gz SQSLYAXQHXWFAY-UHFFFAOYSA-N -1 3 396.790 3.614 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CC1(Cl)Cl ZINC000738171169 598556205 /nfs/dbraw/zinc/55/62/05/598556205.db2.gz DMVFXTZCDZAKBG-AWEZNQCLSA-N -1 3 390.230 3.791 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CC1(Cl)Cl ZINC000738171169 598556206 /nfs/dbraw/zinc/55/62/06/598556206.db2.gz DMVFXTZCDZAKBG-AWEZNQCLSA-N -1 3 390.230 3.791 20 0 GHADHM O=C(NCC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000738045415 598559842 /nfs/dbraw/zinc/55/98/42/598559842.db2.gz PIXFEVCROFNAPC-UHFFFAOYSA-N -1 3 398.854 3.631 20 0 GHADHM O=C(NCC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000738045415 598559843 /nfs/dbraw/zinc/55/98/43/598559843.db2.gz PIXFEVCROFNAPC-UHFFFAOYSA-N -1 3 398.854 3.631 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735874611 598568012 /nfs/dbraw/zinc/56/80/12/598568012.db2.gz KFUBXDVPXUHPIH-IAGOWNOFSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735874611 598568014 /nfs/dbraw/zinc/56/80/14/598568014.db2.gz KFUBXDVPXUHPIH-IAGOWNOFSA-N -1 3 397.429 3.686 20 0 GHADHM Fc1cc(Br)ccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737645051 598568235 /nfs/dbraw/zinc/56/82/35/598568235.db2.gz OVVYZPSYPHKCAB-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1cc(Br)ccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737645051 598568237 /nfs/dbraw/zinc/56/82/37/598568237.db2.gz OVVYZPSYPHKCAB-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccccc3-c3nnn[n-]3)s2)c(C)c1 ZINC000737286888 598572006 /nfs/dbraw/zinc/57/20/06/598572006.db2.gz AUEROSRQOHHGSW-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccccc3-c3nn[n-]n3)s2)c(C)c1 ZINC000737286888 598572007 /nfs/dbraw/zinc/57/20/07/598572007.db2.gz AUEROSRQOHHGSW-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3ccccc3-c3nnn[n-]3)cs2)cc1 ZINC000736634479 598574615 /nfs/dbraw/zinc/57/46/15/598574615.db2.gz HPIIFTAQIXRTTQ-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3ccccc3-c3nn[n-]n3)cs2)cc1 ZINC000736634479 598574617 /nfs/dbraw/zinc/57/46/17/598574617.db2.gz HPIIFTAQIXRTTQ-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1CCOc2ccccc21 ZINC000738208184 598582465 /nfs/dbraw/zinc/58/24/65/598582465.db2.gz KFYLWMKEWNPPKJ-ZDUSSCGKSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1CCOc2ccccc21 ZINC000738208184 598582466 /nfs/dbraw/zinc/58/24/66/598582466.db2.gz KFYLWMKEWNPPKJ-ZDUSSCGKSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000738167713 598599593 /nfs/dbraw/zinc/59/95/93/598599593.db2.gz RQSNIRIXJWSCGU-UHFFFAOYSA-N -1 3 388.815 3.968 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000738167713 598599595 /nfs/dbraw/zinc/59/95/95/598599595.db2.gz RQSNIRIXJWSCGU-UHFFFAOYSA-N -1 3 388.815 3.968 20 0 GHADHM O=C(C=Cc1ccccc1OC(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737797680 598600769 /nfs/dbraw/zinc/60/07/69/598600769.db2.gz DWLPDYHGYTXBAU-YVMONPNESA-N -1 3 393.300 3.556 20 0 GHADHM O=C(C=Cc1ccccc1OC(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737797680 598600771 /nfs/dbraw/zinc/60/07/71/598600771.db2.gz DWLPDYHGYTXBAU-YVMONPNESA-N -1 3 393.300 3.556 20 0 GHADHM CCOc1ccc2ccccc2c1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000736650274 598607557 /nfs/dbraw/zinc/60/75/57/598607557.db2.gz DUJMXPZIANCRFH-UHFFFAOYSA-N -1 3 380.429 3.837 20 0 GHADHM O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738213258 598608042 /nfs/dbraw/zinc/60/80/42/598608042.db2.gz GSTGCOBGRNHPAR-SFHVURJKSA-N -1 3 381.411 3.879 20 0 GHADHM O=C(O[C@H](c1cncc(F)c1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738213258 598608044 /nfs/dbraw/zinc/60/80/44/598608044.db2.gz GSTGCOBGRNHPAR-SFHVURJKSA-N -1 3 381.411 3.879 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738408583 598608482 /nfs/dbraw/zinc/60/84/82/598608482.db2.gz MYSIBQHFNLBEMA-WMZOPIPTSA-N -1 3 392.532 3.955 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000738408583 598608484 /nfs/dbraw/zinc/60/84/84/598608484.db2.gz MYSIBQHFNLBEMA-WMZOPIPTSA-N -1 3 392.532 3.955 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000738432057 598611663 /nfs/dbraw/zinc/61/16/63/598611663.db2.gz DCVRGUKWPTVKCR-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738432057 598611664 /nfs/dbraw/zinc/61/16/64/598611664.db2.gz DCVRGUKWPTVKCR-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM CCc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000736683249 598624770 /nfs/dbraw/zinc/62/47/70/598624770.db2.gz OPJZSEXVKSXUGH-UHFFFAOYSA-N -1 3 380.427 3.765 20 0 GHADHM CCc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000736683249 598624773 /nfs/dbraw/zinc/62/47/73/598624773.db2.gz OPJZSEXVKSXUGH-UHFFFAOYSA-N -1 3 380.427 3.765 20 0 GHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736821253 598627321 /nfs/dbraw/zinc/62/73/21/598627321.db2.gz BASHNQDWHZNEIU-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736821253 598627322 /nfs/dbraw/zinc/62/73/22/598627322.db2.gz BASHNQDWHZNEIU-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM O=C(NCc1cccc(Cl)c1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738117385 598627913 /nfs/dbraw/zinc/62/79/13/598627913.db2.gz QBPDBDZNSGBWQZ-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1cccc(Cl)c1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738117385 598627914 /nfs/dbraw/zinc/62/79/14/598627914.db2.gz QBPDBDZNSGBWQZ-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198368 598628720 /nfs/dbraw/zinc/62/87/20/598628720.db2.gz SMFCNVXTWQHQLU-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198368 598628722 /nfs/dbraw/zinc/62/87/22/598628722.db2.gz SMFCNVXTWQHQLU-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM CCCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000736470561 598628887 /nfs/dbraw/zinc/62/88/87/598628887.db2.gz RSYGEIMOGKOMFW-SFHVURJKSA-N -1 3 380.427 3.937 20 0 GHADHM CCCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000736470561 598628889 /nfs/dbraw/zinc/62/88/89/598628889.db2.gz RSYGEIMOGKOMFW-SFHVURJKSA-N -1 3 380.427 3.937 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000737573923 598630502 /nfs/dbraw/zinc/63/05/02/598630502.db2.gz HAKQBAMZAISSLZ-OAHLLOKOSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000737573923 598630504 /nfs/dbraw/zinc/63/05/04/598630504.db2.gz HAKQBAMZAISSLZ-OAHLLOKOSA-N -1 3 383.839 3.633 20 0 GHADHM CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736327593 598633955 /nfs/dbraw/zinc/63/39/55/598633955.db2.gz RCAHIZNDYLABNU-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736327593 598633956 /nfs/dbraw/zinc/63/39/56/598633956.db2.gz RCAHIZNDYLABNU-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737803884 598641831 /nfs/dbraw/zinc/64/18/31/598641831.db2.gz WIHLZRBFWKFEEH-IWGBCORSSA-N -1 3 383.411 3.608 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737803884 598641833 /nfs/dbraw/zinc/64/18/33/598641833.db2.gz WIHLZRBFWKFEEH-IWGBCORSSA-N -1 3 383.411 3.608 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cc(F)c(F)c(F)c1 ZINC000738212699 598647917 /nfs/dbraw/zinc/64/79/17/598647917.db2.gz YSTXFDKISYECPZ-UHFFFAOYSA-N -1 3 393.394 3.867 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cc(F)c(F)c(F)c1 ZINC000738212699 598647919 /nfs/dbraw/zinc/64/79/19/598647919.db2.gz YSTXFDKISYECPZ-UHFFFAOYSA-N -1 3 393.394 3.867 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000737332390 598648735 /nfs/dbraw/zinc/64/87/35/598648735.db2.gz UKWXZXVDPQFHJY-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000737332390 598648736 /nfs/dbraw/zinc/64/87/36/598648736.db2.gz UKWXZXVDPQFHJY-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736201791 598650005 /nfs/dbraw/zinc/65/00/05/598650005.db2.gz ICVGGDYCAZFLPA-OAHLLOKOSA-N -1 3 397.454 3.775 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736201791 598650006 /nfs/dbraw/zinc/65/00/06/598650006.db2.gz ICVGGDYCAZFLPA-OAHLLOKOSA-N -1 3 397.454 3.775 20 0 GHADHM Cc1nc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000737478526 598650912 /nfs/dbraw/zinc/65/09/12/598650912.db2.gz VMZFGRKYHDKYBQ-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1nc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000737478526 598650914 /nfs/dbraw/zinc/65/09/14/598650914.db2.gz VMZFGRKYHDKYBQ-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM COc1cccc(N(CC(C)C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737140156 598652936 /nfs/dbraw/zinc/65/29/36/598652936.db2.gz POOWBXXKNKWGTR-UHFFFAOYSA-N -1 3 397.504 3.657 20 0 GHADHM COc1cccc(N(CC(C)C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737140156 598652937 /nfs/dbraw/zinc/65/29/37/598652937.db2.gz POOWBXXKNKWGTR-UHFFFAOYSA-N -1 3 397.504 3.657 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737143561 598652947 /nfs/dbraw/zinc/65/29/47/598652947.db2.gz VZDWXPCCFLVJBP-HNNXBMFYSA-N -1 3 391.475 3.560 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737143561 598652950 /nfs/dbraw/zinc/65/29/50/598652950.db2.gz VZDWXPCCFLVJBP-HNNXBMFYSA-N -1 3 391.475 3.560 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCc2ccc(F)cc21 ZINC000737833512 598653874 /nfs/dbraw/zinc/65/38/74/598653874.db2.gz UZJBVGDWUPILDY-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCc2ccc(F)cc21 ZINC000737833512 598653875 /nfs/dbraw/zinc/65/38/75/598653875.db2.gz UZJBVGDWUPILDY-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000736738674 598654956 /nfs/dbraw/zinc/65/49/56/598654956.db2.gz GIDGLTIAAYALQH-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000736738674 598654958 /nfs/dbraw/zinc/65/49/58/598654958.db2.gz GIDGLTIAAYALQH-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CCCCOc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736464267 598655093 /nfs/dbraw/zinc/65/50/93/598655093.db2.gz XIMYWGPLQCGABG-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM CCCCOc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736464267 598655095 /nfs/dbraw/zinc/65/50/95/598655095.db2.gz XIMYWGPLQCGABG-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737329390 598657127 /nfs/dbraw/zinc/65/71/27/598657127.db2.gz GITSJIIARBHLPP-LJQANCHMSA-N -1 3 393.516 3.939 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737329390 598657129 /nfs/dbraw/zinc/65/71/29/598657129.db2.gz GITSJIIARBHLPP-LJQANCHMSA-N -1 3 393.516 3.939 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000737942419 598661201 /nfs/dbraw/zinc/66/12/01/598661201.db2.gz ZWZVMPICASIAEP-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000737942419 598661202 /nfs/dbraw/zinc/66/12/02/598661202.db2.gz ZWZVMPICASIAEP-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM CC[C@@H](C)[C@H](C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736327814 598664978 /nfs/dbraw/zinc/66/49/78/598664978.db2.gz GHFMNUQVNFWYRD-CVEARBPZSA-N -1 3 385.512 3.841 20 0 GHADHM CC[C@@H](C)[C@H](C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736327814 598664980 /nfs/dbraw/zinc/66/49/80/598664980.db2.gz GHFMNUQVNFWYRD-CVEARBPZSA-N -1 3 385.512 3.841 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000735625440 598673267 /nfs/dbraw/zinc/67/32/67/598673267.db2.gz FWUPVGBHPSROFQ-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000735625440 598673268 /nfs/dbraw/zinc/67/32/68/598673268.db2.gz FWUPVGBHPSROFQ-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccco2)C1 ZINC000738278496 598695332 /nfs/dbraw/zinc/69/53/32/598695332.db2.gz LUXGJFSJYXQHPA-OAHLLOKOSA-N -1 3 385.427 3.756 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccco2)C1 ZINC000738278496 598695334 /nfs/dbraw/zinc/69/53/34/598695334.db2.gz LUXGJFSJYXQHPA-OAHLLOKOSA-N -1 3 385.427 3.756 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737319700 598697861 /nfs/dbraw/zinc/69/78/61/598697861.db2.gz GCUHDKBWUPJTCY-AWEZNQCLSA-N -1 3 399.495 3.733 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737319700 598697862 /nfs/dbraw/zinc/69/78/62/598697862.db2.gz GCUHDKBWUPJTCY-AWEZNQCLSA-N -1 3 399.495 3.733 20 0 GHADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000737358154 598698097 /nfs/dbraw/zinc/69/80/97/598698097.db2.gz YJFUDESNZZTORC-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000737358154 598698098 /nfs/dbraw/zinc/69/80/98/598698098.db2.gz YJFUDESNZZTORC-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1ccc(-c2cc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)on2)cc1 ZINC000737286883 598722701 /nfs/dbraw/zinc/72/27/01/598722701.db2.gz APGWZPIYSDMLSX-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM Cc1ccc(-c2cc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)on2)cc1 ZINC000737286883 598722702 /nfs/dbraw/zinc/72/27/02/598722702.db2.gz APGWZPIYSDMLSX-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM Cc1oc(-c2ccsc2)nc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737545997 598723263 /nfs/dbraw/zinc/72/32/63/598723263.db2.gz AVTQGUDEPPZOLO-UHFFFAOYSA-N -1 3 389.444 3.803 20 0 GHADHM Cc1oc(-c2ccsc2)nc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737545997 598723264 /nfs/dbraw/zinc/72/32/64/598723264.db2.gz AVTQGUDEPPZOLO-UHFFFAOYSA-N -1 3 389.444 3.803 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738161628 598731344 /nfs/dbraw/zinc/73/13/44/598731344.db2.gz HCRGKJWTMGBFQR-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738161628 598731345 /nfs/dbraw/zinc/73/13/45/598731345.db2.gz HCRGKJWTMGBFQR-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735920926 598743923 /nfs/dbraw/zinc/74/39/23/598743923.db2.gz ATJLFRIPFYKRKA-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735920926 598743924 /nfs/dbraw/zinc/74/39/24/598743924.db2.gz ATJLFRIPFYKRKA-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736668429 598745756 /nfs/dbraw/zinc/74/57/56/598745756.db2.gz YZVOUHSNFPLNFL-JWAFFJSPSA-N -1 3 379.489 3.869 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736668429 598745757 /nfs/dbraw/zinc/74/57/57/598745757.db2.gz YZVOUHSNFPLNFL-JWAFFJSPSA-N -1 3 379.489 3.869 20 0 GHADHM COCCSc1ccc([C@@H](C)Nc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000737014090 598755680 /nfs/dbraw/zinc/75/56/80/598755680.db2.gz NENGTSQRAGPSIU-CQSZACIVSA-N -1 3 384.509 3.790 20 0 GHADHM COCCSc1ccc([C@@H](C)Nc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000737014090 598755681 /nfs/dbraw/zinc/75/56/81/598755681.db2.gz NENGTSQRAGPSIU-CQSZACIVSA-N -1 3 384.509 3.790 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000738152609 598765222 /nfs/dbraw/zinc/76/52/22/598765222.db2.gz YIVDJELEIWHIQC-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000738152609 598765223 /nfs/dbraw/zinc/76/52/23/598765223.db2.gz YIVDJELEIWHIQC-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736209580 598768289 /nfs/dbraw/zinc/76/82/89/598768289.db2.gz AMRPQDGVJPTMSC-ZDUSSCGKSA-N -1 3 379.489 3.794 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736209580 598768291 /nfs/dbraw/zinc/76/82/91/598768291.db2.gz AMRPQDGVJPTMSC-ZDUSSCGKSA-N -1 3 379.489 3.794 20 0 GHADHM O=C(Nc1ccccc1Cl)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738191684 598770600 /nfs/dbraw/zinc/77/06/00/598770600.db2.gz UCYINGCGRDZQAW-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)CCCc1ccccc1 ZINC000736815440 598790350 /nfs/dbraw/zinc/79/03/50/598790350.db2.gz ZPVVPBBLPSFBGL-UHFFFAOYSA-N -1 3 377.492 3.874 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)CCCc1ccccc1 ZINC000736815440 598790351 /nfs/dbraw/zinc/79/03/51/598790351.db2.gz ZPVVPBBLPSFBGL-UHFFFAOYSA-N -1 3 377.492 3.874 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737801099 598794223 /nfs/dbraw/zinc/79/42/23/598794223.db2.gz RUHPKYMITTYSGE-XSFOEPMVSA-N -1 3 381.386 3.522 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000737801099 598794226 /nfs/dbraw/zinc/79/42/26/598794226.db2.gz RUHPKYMITTYSGE-XSFOEPMVSA-N -1 3 381.386 3.522 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737652455 598795856 /nfs/dbraw/zinc/79/58/56/598795856.db2.gz XPYHLFVAZZHGGH-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737652455 598795858 /nfs/dbraw/zinc/79/58/58/598795858.db2.gz XPYHLFVAZZHGGH-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM CCC[C@@H](NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431768 598802113 /nfs/dbraw/zinc/80/21/13/598802113.db2.gz SSRBKADSXDRMCL-LJQANCHMSA-N -1 3 393.495 3.725 20 0 GHADHM CCC[C@@H](NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431768 598802114 /nfs/dbraw/zinc/80/21/14/598802114.db2.gz SSRBKADSXDRMCL-LJQANCHMSA-N -1 3 393.495 3.725 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736176545 598802595 /nfs/dbraw/zinc/80/25/95/598802595.db2.gz SYVIXJJLQLATQX-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736176545 598802596 /nfs/dbraw/zinc/80/25/96/598802596.db2.gz SYVIXJJLQLATQX-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736269551 598803649 /nfs/dbraw/zinc/80/36/49/598803649.db2.gz HFGKJNGKXXKKBR-KXBFYZLASA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736269551 598803650 /nfs/dbraw/zinc/80/36/50/598803650.db2.gz HFGKJNGKXXKKBR-KXBFYZLASA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)C ZINC000736333048 598816963 /nfs/dbraw/zinc/81/69/63/598816963.db2.gz PGIRBPXXSWLPOG-CQSZACIVSA-N -1 3 383.418 3.830 20 0 GHADHM CC[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)C ZINC000736333048 598816965 /nfs/dbraw/zinc/81/69/65/598816965.db2.gz PGIRBPXXSWLPOG-CQSZACIVSA-N -1 3 383.418 3.830 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000736198778 599314030 /nfs/dbraw/zinc/31/40/30/599314030.db2.gz KSFISFYILUSZNO-CJNGLKHVSA-N -1 3 398.536 3.755 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000736198776 599314129 /nfs/dbraw/zinc/31/41/29/599314129.db2.gz KSFISFYILUSZNO-BBRMVZONSA-N -1 3 398.536 3.755 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1CCCS1 ZINC000822211950 599320224 /nfs/dbraw/zinc/32/02/24/599320224.db2.gz VIFWJBUDXJONIZ-GOSISDBHSA-N -1 3 395.488 3.588 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1CCCS1 ZINC000822211950 599320228 /nfs/dbraw/zinc/32/02/28/599320228.db2.gz VIFWJBUDXJONIZ-GOSISDBHSA-N -1 3 395.488 3.588 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CCCS2)cc1 ZINC000821702551 599320339 /nfs/dbraw/zinc/32/03/39/599320339.db2.gz XFMDPQUHILYEAM-KRWDZBQOSA-N -1 3 397.460 3.502 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCCS2)cc1 ZINC000821702551 599320341 /nfs/dbraw/zinc/32/03/41/599320341.db2.gz XFMDPQUHILYEAM-KRWDZBQOSA-N -1 3 397.460 3.502 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000736187442 599328031 /nfs/dbraw/zinc/32/80/31/599328031.db2.gz ASSMVOLHUUPASX-HUUCEWRRSA-N -1 3 393.516 3.634 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000736187442 599328033 /nfs/dbraw/zinc/32/80/33/599328033.db2.gz ASSMVOLHUUPASX-HUUCEWRRSA-N -1 3 393.516 3.634 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736190440 599328681 /nfs/dbraw/zinc/32/86/81/599328681.db2.gz RZHUBDVGQBKXLZ-XHSDSOJGSA-N -1 3 395.532 3.969 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736190440 599328684 /nfs/dbraw/zinc/32/86/84/599328684.db2.gz RZHUBDVGQBKXLZ-XHSDSOJGSA-N -1 3 395.532 3.969 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191079 599330474 /nfs/dbraw/zinc/33/04/74/599330474.db2.gz VRUTUELJQRZNHV-KDOFPFPSSA-N -1 3 379.489 3.857 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191079 599330476 /nfs/dbraw/zinc/33/04/76/599330476.db2.gz VRUTUELJQRZNHV-KDOFPFPSSA-N -1 3 379.489 3.857 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188545 599330480 /nfs/dbraw/zinc/33/04/80/599330480.db2.gz KZNWCRFGCURWGE-CABCVRRESA-N -1 3 381.505 3.708 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188545 599330482 /nfs/dbraw/zinc/33/04/82/599330482.db2.gz KZNWCRFGCURWGE-CABCVRRESA-N -1 3 381.505 3.708 20 0 GHADHM C[C@H](SCC(=O)Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187994 599332948 /nfs/dbraw/zinc/33/29/48/599332948.db2.gz GFRJOZDYZFHDIT-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@H](SCC(=O)Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187994 599332951 /nfs/dbraw/zinc/33/29/51/599332951.db2.gz GFRJOZDYZFHDIT-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188283 599333092 /nfs/dbraw/zinc/33/30/92/599333092.db2.gz KCCDACWQNWLKMM-FZKQIMNGSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188283 599333094 /nfs/dbraw/zinc/33/30/94/599333094.db2.gz KCCDACWQNWLKMM-FZKQIMNGSA-N -1 3 397.479 3.996 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821482804 599345267 /nfs/dbraw/zinc/34/52/67/599345267.db2.gz VEBWNPAIZJCYSQ-UONOGXRCSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821482804 599345268 /nfs/dbraw/zinc/34/52/68/599345268.db2.gz VEBWNPAIZJCYSQ-UONOGXRCSA-N -1 3 381.505 3.787 20 0 GHADHM COc1ccccc1CSCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000737153592 599370001 /nfs/dbraw/zinc/37/00/01/599370001.db2.gz TZWLSDFTJKRNIW-UHFFFAOYSA-N -1 3 392.488 3.803 20 0 GHADHM Cc1cccc(C(C)(C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737386604 599379143 /nfs/dbraw/zinc/37/91/43/599379143.db2.gz XWDIJOFQZMRUQG-UHFFFAOYSA-N -1 3 393.491 3.776 20 0 GHADHM Cc1cccc(C(C)(C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737386604 599379149 /nfs/dbraw/zinc/37/91/49/599379149.db2.gz XWDIJOFQZMRUQG-UHFFFAOYSA-N -1 3 393.491 3.776 20 0 GHADHM CC(C)Oc1ccc(NCc2nccn2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820174783 607372899 /nfs/dbraw/zinc/37/28/99/607372899.db2.gz XPFQQGVTWKWGKQ-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM CC(C)Oc1ccc(NCc2nccn2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000820174783 607372901 /nfs/dbraw/zinc/37/29/01/607372901.db2.gz XPFQQGVTWKWGKQ-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357966 599401022 /nfs/dbraw/zinc/40/10/22/599401022.db2.gz LANAZZTUZMGICS-BDJLRTHQSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357966 599401024 /nfs/dbraw/zinc/40/10/24/599401024.db2.gz LANAZZTUZMGICS-BDJLRTHQSA-N -1 3 398.467 3.603 20 0 GHADHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC(F)F ZINC000737096802 599406831 /nfs/dbraw/zinc/40/68/31/599406831.db2.gz YVLWOYOCFGTZCG-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC(F)F ZINC000737096802 599406834 /nfs/dbraw/zinc/40/68/34/599406834.db2.gz YVLWOYOCFGTZCG-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000820365166 599411473 /nfs/dbraw/zinc/41/14/73/599411473.db2.gz HWGSBROCZSGDGB-ZDUSSCGKSA-N -1 3 396.470 3.864 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000820365166 599411476 /nfs/dbraw/zinc/41/14/76/599411476.db2.gz HWGSBROCZSGDGB-ZDUSSCGKSA-N -1 3 396.470 3.864 20 0 GHADHM COc1ccc(C2(CNc3cc(Cl)ccc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737075877 599417137 /nfs/dbraw/zinc/41/71/37/599417137.db2.gz FZKPDHKDDFIRDQ-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM COc1ccc(C2(CNc3cc(Cl)ccc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737075877 599417138 /nfs/dbraw/zinc/41/71/38/599417138.db2.gz FZKPDHKDDFIRDQ-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccccc2C)o1 ZINC000821752473 607376348 /nfs/dbraw/zinc/37/63/48/607376348.db2.gz NDDZPWINWPFNGH-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccccc2C)o1 ZINC000821752473 607376350 /nfs/dbraw/zinc/37/63/50/607376350.db2.gz NDDZPWINWPFNGH-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737216810 599424744 /nfs/dbraw/zinc/42/47/44/599424744.db2.gz YXRXRCBSIDVZOP-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737216810 599424745 /nfs/dbraw/zinc/42/47/45/599424745.db2.gz YXRXRCBSIDVZOP-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824161962 607377770 /nfs/dbraw/zinc/37/77/70/607377770.db2.gz AYOVAXOHLKDWMX-UHFFFAOYSA-N -1 3 398.850 3.515 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824161962 607377771 /nfs/dbraw/zinc/37/77/71/607377771.db2.gz AYOVAXOHLKDWMX-UHFFFAOYSA-N -1 3 398.850 3.515 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000735648835 599438352 /nfs/dbraw/zinc/43/83/52/599438352.db2.gz HXRQCSCSHSPHFU-IBGZPJMESA-N -1 3 388.475 3.858 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000735648835 599438354 /nfs/dbraw/zinc/43/83/54/599438354.db2.gz HXRQCSCSHSPHFU-IBGZPJMESA-N -1 3 388.475 3.858 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000821104651 599448120 /nfs/dbraw/zinc/44/81/20/599448120.db2.gz LNSHQYLUAQJQKQ-RTBURBONSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000821104651 599448122 /nfs/dbraw/zinc/44/81/22/599448122.db2.gz LNSHQYLUAQJQKQ-RTBURBONSA-N -1 3 382.512 3.757 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000821608883 599450583 /nfs/dbraw/zinc/45/05/83/599450583.db2.gz YMZOVNKZXVSPRZ-UHFFFAOYSA-N -1 3 396.882 3.608 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000821608883 599450586 /nfs/dbraw/zinc/45/05/86/599450586.db2.gz YMZOVNKZXVSPRZ-UHFFFAOYSA-N -1 3 396.882 3.608 20 0 GHADHM COc1cc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821717306 599465855 /nfs/dbraw/zinc/46/58/55/599465855.db2.gz NGNDNQQSOQBKAL-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1cc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821717306 599465856 /nfs/dbraw/zinc/46/58/56/599465856.db2.gz NGNDNQQSOQBKAL-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342064 599473026 /nfs/dbraw/zinc/47/30/26/599473026.db2.gz SSIQKIOQISDXCB-GLJUWKHASA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342064 599473028 /nfs/dbraw/zinc/47/30/28/599473028.db2.gz SSIQKIOQISDXCB-GLJUWKHASA-N -1 3 394.454 3.654 20 0 GHADHM C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339941 599473342 /nfs/dbraw/zinc/47/33/42/599473342.db2.gz IAXYCYZVAVJDBF-MRXNPFEDSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339941 599473344 /nfs/dbraw/zinc/47/33/44/599473344.db2.gz IAXYCYZVAVJDBF-MRXNPFEDSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913665 599476527 /nfs/dbraw/zinc/47/65/27/599476527.db2.gz IQHUUXKPZZTUOU-KXBFYZLASA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913665 599476529 /nfs/dbraw/zinc/47/65/29/599476529.db2.gz IQHUUXKPZZTUOU-KXBFYZLASA-N -1 3 378.480 3.590 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821071496 599477721 /nfs/dbraw/zinc/47/77/21/599477721.db2.gz GEQONLRXCUBENR-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821071496 599477722 /nfs/dbraw/zinc/47/77/22/599477722.db2.gz GEQONLRXCUBENR-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352119 599478720 /nfs/dbraw/zinc/47/87/20/599478720.db2.gz SFEKMACZRLPUTE-SCLBCKFNSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352119 599478723 /nfs/dbraw/zinc/47/87/23/599478723.db2.gz SFEKMACZRLPUTE-SCLBCKFNSA-N -1 3 380.427 3.614 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820876200 599479802 /nfs/dbraw/zinc/47/98/02/599479802.db2.gz NFYUSJPCEIBKHA-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820876200 599479805 /nfs/dbraw/zinc/47/98/05/599479805.db2.gz NFYUSJPCEIBKHA-LBPRGKRZSA-N -1 3 384.871 3.661 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350462 599482378 /nfs/dbraw/zinc/48/23/78/599482378.db2.gz DAJYUKGUXRZBHD-TXPKVOOTSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350462 599482380 /nfs/dbraw/zinc/48/23/80/599482380.db2.gz DAJYUKGUXRZBHD-TXPKVOOTSA-N -1 3 390.491 3.824 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000823689354 599499667 /nfs/dbraw/zinc/49/96/67/599499667.db2.gz FLEOQDVTBFTZFS-CYBMUJFWSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000823689354 599499669 /nfs/dbraw/zinc/49/96/69/599499669.db2.gz FLEOQDVTBFTZFS-CYBMUJFWSA-N -1 3 383.761 3.684 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](c2ccccc2)C1 ZINC000822774203 599504786 /nfs/dbraw/zinc/50/47/86/599504786.db2.gz HCIVFRRFORZRAK-CYBMUJFWSA-N -1 3 378.386 3.687 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](c2ccccc2)C1 ZINC000822774203 599504789 /nfs/dbraw/zinc/50/47/89/599504789.db2.gz HCIVFRRFORZRAK-CYBMUJFWSA-N -1 3 378.386 3.687 20 0 GHADHM Cc1csc([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000822409641 599509112 /nfs/dbraw/zinc/50/91/12/599509112.db2.gz TUPWOTCBEWYREC-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)n1 ZINC000822409641 599509115 /nfs/dbraw/zinc/50/91/15/599509115.db2.gz TUPWOTCBEWYREC-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536927 599519405 /nfs/dbraw/zinc/51/94/05/599519405.db2.gz YWJQDCPQSMLVFV-HUUCEWRRSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536927 599519407 /nfs/dbraw/zinc/51/94/07/599519407.db2.gz YWJQDCPQSMLVFV-HUUCEWRRSA-N -1 3 393.491 3.809 20 0 GHADHM Cc1cc2occ(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2cc1C ZINC000822213019 599520191 /nfs/dbraw/zinc/52/01/91/599520191.db2.gz QXSYHGYNSYYAQE-CQSZACIVSA-N -1 3 375.432 3.650 20 0 GHADHM Cc1cc2occ(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2cc1C ZINC000822213019 599520194 /nfs/dbraw/zinc/52/01/94/599520194.db2.gz QXSYHGYNSYYAQE-CQSZACIVSA-N -1 3 375.432 3.650 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@@H](CC)c2ccc(F)cc2)n1 ZINC000736604314 599520389 /nfs/dbraw/zinc/52/03/89/599520389.db2.gz VZAGQSXNPCSNPW-HNNXBMFYSA-N -1 3 387.440 3.821 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@@H](CC)c2ccc(F)cc2)n1 ZINC000736604314 599520390 /nfs/dbraw/zinc/52/03/90/599520390.db2.gz VZAGQSXNPCSNPW-HNNXBMFYSA-N -1 3 387.440 3.821 20 0 GHADHM C[C@@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314140 599520785 /nfs/dbraw/zinc/52/07/85/599520785.db2.gz HZRURYUQCLHFKP-IIBYNOLFSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314140 599520787 /nfs/dbraw/zinc/52/07/87/599520787.db2.gz HZRURYUQCLHFKP-IIBYNOLFSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736194124 599521808 /nfs/dbraw/zinc/52/18/08/599521808.db2.gz ZQAUDKCPDKJTJO-LBPRGKRZSA-N -1 3 383.477 3.751 20 0 GHADHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736194124 599521811 /nfs/dbraw/zinc/52/18/11/599521811.db2.gz ZQAUDKCPDKJTJO-LBPRGKRZSA-N -1 3 383.477 3.751 20 0 GHADHM COc1ccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C2)cc1 ZINC000737074419 599523005 /nfs/dbraw/zinc/52/30/05/599523005.db2.gz FVORAIGMEKHDAK-CQSZACIVSA-N -1 3 389.381 3.888 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737420760 599529241 /nfs/dbraw/zinc/52/92/41/599529241.db2.gz HDKXBWXYARKWLW-STQMWFEESA-N -1 3 388.397 3.971 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737420760 599529242 /nfs/dbraw/zinc/52/92/42/599529242.db2.gz HDKXBWXYARKWLW-STQMWFEESA-N -1 3 388.397 3.971 20 0 GHADHM C[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391110 599531273 /nfs/dbraw/zinc/53/12/73/599531273.db2.gz NFOCBPYNWKDNNZ-ZDUSSCGKSA-N -1 3 382.427 3.992 20 0 GHADHM C[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391110 599531275 /nfs/dbraw/zinc/53/12/75/599531275.db2.gz NFOCBPYNWKDNNZ-ZDUSSCGKSA-N -1 3 382.427 3.992 20 0 GHADHM C[C@@H](NC(=O)c1sccc1SC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820403775 599531279 /nfs/dbraw/zinc/53/12/79/599531279.db2.gz MIRPQVKLAGWYJJ-MRVPVSSYSA-N -1 3 381.433 3.734 20 0 GHADHM C[C@@H](NC(=O)c1sccc1SC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820403775 599531281 /nfs/dbraw/zinc/53/12/81/599531281.db2.gz MIRPQVKLAGWYJJ-MRVPVSSYSA-N -1 3 381.433 3.734 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1cccs1 ZINC000735570602 599540875 /nfs/dbraw/zinc/54/08/75/599540875.db2.gz OIZIITRYHHNXIM-LLVKDONJSA-N -1 3 396.501 3.718 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1cccs1 ZINC000735570602 599540879 /nfs/dbraw/zinc/54/08/79/599540879.db2.gz OIZIITRYHHNXIM-LLVKDONJSA-N -1 3 396.501 3.718 20 0 GHADHM Cc1cc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210784 599541037 /nfs/dbraw/zinc/54/10/37/599541037.db2.gz QXFWSDRWUWCWTK-AWEZNQCLSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1cc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210784 599541038 /nfs/dbraw/zinc/54/10/38/599541038.db2.gz QXFWSDRWUWCWTK-AWEZNQCLSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1cc(OCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822210785 599541051 /nfs/dbraw/zinc/54/10/51/599541051.db2.gz QXFWSDRWUWCWTK-CQSZACIVSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1cc(OCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822210785 599541053 /nfs/dbraw/zinc/54/10/53/599541053.db2.gz QXFWSDRWUWCWTK-CQSZACIVSA-N -1 3 399.882 3.865 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccs1 ZINC000735561097 599541088 /nfs/dbraw/zinc/54/10/88/599541088.db2.gz VMXLTRHWHGIRIP-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820684186 599546939 /nfs/dbraw/zinc/54/69/39/599546939.db2.gz MXAPBKDGXOHGQK-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820684186 599546940 /nfs/dbraw/zinc/54/69/40/599546940.db2.gz MXAPBKDGXOHGQK-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422626 599549334 /nfs/dbraw/zinc/54/93/34/599549334.db2.gz QQLDDQLVKCYLIF-APWZRJJASA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422626 599549336 /nfs/dbraw/zinc/54/93/36/599549336.db2.gz QQLDDQLVKCYLIF-APWZRJJASA-N -1 3 375.476 3.512 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820717889 599550431 /nfs/dbraw/zinc/55/04/31/599550431.db2.gz YGEXLSDDVUPYBM-CJNGLKHVSA-N -1 3 383.477 3.552 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820717889 599550434 /nfs/dbraw/zinc/55/04/34/599550434.db2.gz YGEXLSDDVUPYBM-CJNGLKHVSA-N -1 3 383.477 3.552 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000737331756 599561428 /nfs/dbraw/zinc/56/14/28/599561428.db2.gz RMRDRIQJNYHAOZ-RDJZCZTQSA-N -1 3 395.463 3.679 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000737331756 599561431 /nfs/dbraw/zinc/56/14/31/599561431.db2.gz RMRDRIQJNYHAOZ-RDJZCZTQSA-N -1 3 395.463 3.679 20 0 GHADHM CCN(Cc1ccncc1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736557166 599567054 /nfs/dbraw/zinc/56/70/54/599567054.db2.gz XYPOYQBWCCVTOQ-UHFFFAOYSA-N -1 3 399.458 3.668 20 0 GHADHM Cc1ccc(CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C(C)C)s1 ZINC000822237520 599568601 /nfs/dbraw/zinc/56/86/01/599568601.db2.gz XRPVQYQDIHYSIC-UHFFFAOYSA-N -1 3 395.492 3.697 20 0 GHADHM O=C(CC/C=C\c1ccccc1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737825665 599606451 /nfs/dbraw/zinc/60/64/51/599606451.db2.gz NNNUTLUPHXSAKX-WTKPLQERSA-N -1 3 378.432 3.672 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737333958 599609370 /nfs/dbraw/zinc/60/93/70/599609370.db2.gz DCJPRDQCSLQOEY-SECBINFHSA-N -1 3 376.873 3.643 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737333958 599609372 /nfs/dbraw/zinc/60/93/72/599609372.db2.gz DCJPRDQCSLQOEY-SECBINFHSA-N -1 3 376.873 3.643 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000736637523 599610198 /nfs/dbraw/zinc/61/01/98/599610198.db2.gz RJLLQMVMBMPOOU-HNNXBMFYSA-N -1 3 394.479 3.669 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000736637523 599610200 /nfs/dbraw/zinc/61/02/00/599610200.db2.gz RJLLQMVMBMPOOU-HNNXBMFYSA-N -1 3 394.479 3.669 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737290123 599610758 /nfs/dbraw/zinc/61/07/58/599610758.db2.gz BPODDNQWNJIGQG-WBVHZDCISA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737290123 599610759 /nfs/dbraw/zinc/61/07/59/599610759.db2.gz BPODDNQWNJIGQG-WBVHZDCISA-N -1 3 376.464 3.893 20 0 GHADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2OCC)cc1 ZINC000821133839 599620778 /nfs/dbraw/zinc/62/07/78/599620778.db2.gz GZSTYKWLCYLNFK-UHFFFAOYSA-N -1 3 396.447 3.592 20 0 GHADHM CCCOc1ccc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2OCC)cc1 ZINC000821133839 599620779 /nfs/dbraw/zinc/62/07/79/599620779.db2.gz GZSTYKWLCYLNFK-UHFFFAOYSA-N -1 3 396.447 3.592 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1Cl ZINC000823429778 599624190 /nfs/dbraw/zinc/62/41/90/599624190.db2.gz BGWWKTWYDKVNJD-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1Cl ZINC000823429778 599624191 /nfs/dbraw/zinc/62/41/91/599624191.db2.gz BGWWKTWYDKVNJD-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM CCOCCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821379030 599625590 /nfs/dbraw/zinc/62/55/90/599625590.db2.gz ZRLGKBQNVTXQBE-UHFFFAOYSA-N -1 3 381.436 3.584 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820939060 599629341 /nfs/dbraw/zinc/62/93/41/599629341.db2.gz PNOHCMCYHRJZFF-YSGRDPCXSA-N -1 3 397.523 3.732 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820939060 599629342 /nfs/dbraw/zinc/62/93/42/599629342.db2.gz PNOHCMCYHRJZFF-YSGRDPCXSA-N -1 3 397.523 3.732 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)s1 ZINC000821466782 599630566 /nfs/dbraw/zinc/63/05/66/599630566.db2.gz ZOHDRNNWLCOGHO-JMSVASOKSA-N -1 3 377.514 3.803 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)s1 ZINC000821466782 599630567 /nfs/dbraw/zinc/63/05/67/599630567.db2.gz ZOHDRNNWLCOGHO-JMSVASOKSA-N -1 3 377.514 3.803 20 0 GHADHM CC(C)Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000820108531 599631744 /nfs/dbraw/zinc/63/17/44/599631744.db2.gz MCOUTZHIUZJSRC-UHFFFAOYSA-N -1 3 396.398 3.793 20 0 GHADHM CC(C)Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000820108531 599631745 /nfs/dbraw/zinc/63/17/45/599631745.db2.gz MCOUTZHIUZJSRC-UHFFFAOYSA-N -1 3 396.398 3.793 20 0 GHADHM O=C(CSc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823070746 599632490 /nfs/dbraw/zinc/63/24/90/599632490.db2.gz MCDDBBCEKROOHF-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823070746 599632491 /nfs/dbraw/zinc/63/24/91/599632491.db2.gz MCDDBBCEKROOHF-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823111772 599633979 /nfs/dbraw/zinc/63/39/79/599633979.db2.gz NBOJFQBHEVDDMG-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823111772 599633980 /nfs/dbraw/zinc/63/39/80/599633980.db2.gz NBOJFQBHEVDDMG-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(Cl)ccc1F ZINC000823303597 599634369 /nfs/dbraw/zinc/63/43/69/599634369.db2.gz OAGCMJUXLIMBNC-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(Cl)ccc1F ZINC000823303597 599634370 /nfs/dbraw/zinc/63/43/70/599634370.db2.gz OAGCMJUXLIMBNC-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820966616 599655853 /nfs/dbraw/zinc/65/58/53/599655853.db2.gz FPNYJGDDHVNXLA-DNVCBOLYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819884424 599665635 /nfs/dbraw/zinc/66/56/35/599665635.db2.gz WPABYTBOJVBPSE-GFCCVEGCSA-N -1 3 381.823 3.620 20 0 GHADHM C[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819884424 599665636 /nfs/dbraw/zinc/66/56/36/599665636.db2.gz WPABYTBOJVBPSE-GFCCVEGCSA-N -1 3 381.823 3.620 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)C1CCCCC1 ZINC000823246289 599668561 /nfs/dbraw/zinc/66/85/61/599668561.db2.gz JVBBTARJLFYAQS-UHFFFAOYSA-N -1 3 390.491 3.911 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)C1CCCCC1 ZINC000823246289 599668562 /nfs/dbraw/zinc/66/85/62/599668562.db2.gz JVBBTARJLFYAQS-UHFFFAOYSA-N -1 3 390.491 3.911 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000820920553 599675787 /nfs/dbraw/zinc/67/57/87/599675787.db2.gz QXJKOVVCINVNTF-IBGZPJMESA-N -1 3 392.507 3.765 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000820920553 599675788 /nfs/dbraw/zinc/67/57/88/599675788.db2.gz QXJKOVVCINVNTF-IBGZPJMESA-N -1 3 392.507 3.765 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000822193151 599689265 /nfs/dbraw/zinc/68/92/65/599689265.db2.gz MXGFHOGMXXJKAP-UHFFFAOYSA-N -1 3 380.786 3.745 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000822193151 599689266 /nfs/dbraw/zinc/68/92/66/599689266.db2.gz MXGFHOGMXXJKAP-UHFFFAOYSA-N -1 3 380.786 3.745 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121125880 599693000 /nfs/dbraw/zinc/69/30/00/599693000.db2.gz AXYKVZWLEYOKMF-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121125880 599693001 /nfs/dbraw/zinc/69/30/01/599693001.db2.gz AXYKVZWLEYOKMF-UHFFFAOYSA-N -1 3 392.282 3.652 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C1=CCCCO1 ZINC000823350195 599697642 /nfs/dbraw/zinc/69/76/42/599697642.db2.gz CYKZHPOOMIQMDI-UHFFFAOYSA-N -1 3 397.822 3.945 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C1=CCCCO1 ZINC000823350195 599697643 /nfs/dbraw/zinc/69/76/43/599697643.db2.gz CYKZHPOOMIQMDI-UHFFFAOYSA-N -1 3 397.822 3.945 20 0 GHADHM CC(C)[C@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)N1CCCCC1 ZINC000736349187 599754355 /nfs/dbraw/zinc/75/43/55/599754355.db2.gz IINKYYBZKNSHKI-LJQANCHMSA-N -1 3 378.538 3.844 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822427770 607399538 /nfs/dbraw/zinc/39/95/38/607399538.db2.gz UKQMYYRDOHQZHQ-UHFFFAOYSA-N -1 3 386.481 3.795 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822427770 607399540 /nfs/dbraw/zinc/39/95/40/607399540.db2.gz UKQMYYRDOHQZHQ-UHFFFAOYSA-N -1 3 386.481 3.795 20 0 GHADHM Cc1cc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)oc1C(=O)[O-] ZINC000576830256 599850128 /nfs/dbraw/zinc/85/01/28/599850128.db2.gz QWQQSQSLPJHDQM-CQSZACIVSA-N -1 3 385.395 3.855 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000826253145 607408052 /nfs/dbraw/zinc/40/80/52/607408052.db2.gz GODODSHIXFUPRO-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000826253145 607408054 /nfs/dbraw/zinc/40/80/54/607408054.db2.gz GODODSHIXFUPRO-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000736281026 600092544 /nfs/dbraw/zinc/09/25/44/600092544.db2.gz KEAMOTYNABTSHU-LBPRGKRZSA-N -1 3 376.478 3.699 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)ccc1F ZINC000740005643 600122174 /nfs/dbraw/zinc/12/21/74/600122174.db2.gz JQHRKQWBGAFXEW-CQSZACIVSA-N -1 3 389.402 3.905 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000824737126 607421630 /nfs/dbraw/zinc/42/16/30/607421630.db2.gz BZMJMKPMCZWMGT-HNNXBMFYSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000824737126 607421632 /nfs/dbraw/zinc/42/16/32/607421632.db2.gz BZMJMKPMCZWMGT-HNNXBMFYSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3c2cccc3F)cc1-c1nnn[n-]1 ZINC000820166677 607427977 /nfs/dbraw/zinc/42/79/77/607427977.db2.gz ZSKZMCAVRAFHGH-KRWDZBQOSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3c2cccc3F)cc1-c1nn[n-]n1 ZINC000820166677 607427978 /nfs/dbraw/zinc/42/79/78/607427978.db2.gz ZSKZMCAVRAFHGH-KRWDZBQOSA-N -1 3 396.426 3.602 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821882720 607428550 /nfs/dbraw/zinc/42/85/50/607428550.db2.gz JARHQVDBAIRSIJ-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821882720 607428552 /nfs/dbraw/zinc/42/85/52/607428552.db2.gz JARHQVDBAIRSIJ-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000826244194 607430599 /nfs/dbraw/zinc/43/05/99/607430599.db2.gz JVDGKAXFFJXBFA-UHFFFAOYSA-N -1 3 388.406 3.556 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000826244194 607430600 /nfs/dbraw/zinc/43/06/00/607430600.db2.gz JVDGKAXFFJXBFA-UHFFFAOYSA-N -1 3 388.406 3.556 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000820166235 607431015 /nfs/dbraw/zinc/43/10/15/607431015.db2.gz USYHYNRDRUCALL-INIZCTEOSA-N -1 3 392.463 3.675 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000820166235 607431017 /nfs/dbraw/zinc/43/10/17/607431017.db2.gz USYHYNRDRUCALL-INIZCTEOSA-N -1 3 392.463 3.675 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323307 607439452 /nfs/dbraw/zinc/43/94/52/607439452.db2.gz ZCAOTQFYCQZMLE-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826323307 607439454 /nfs/dbraw/zinc/43/94/54/607439454.db2.gz ZCAOTQFYCQZMLE-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1conc1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000822408299 607441626 /nfs/dbraw/zinc/44/16/26/607441626.db2.gz AFGRRAFFULTKQI-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1conc1NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000822408299 607441628 /nfs/dbraw/zinc/44/16/28/607441628.db2.gz AFGRRAFFULTKQI-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000736466234 600445588 /nfs/dbraw/zinc/44/55/88/600445588.db2.gz SYUPPYFMWDXQOW-INIZCTEOSA-N -1 3 387.307 3.842 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737371135 600508713 /nfs/dbraw/zinc/50/87/13/600508713.db2.gz ZXKILUSVONVVOJ-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000739405498 600509147 /nfs/dbraw/zinc/50/91/47/600509147.db2.gz UKOGWJGVWNNJKO-SFHVURJKSA-N -1 3 387.867 3.997 20 0 GHADHM O=C([O-])[C@H](NCCN1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000833166656 600737254 /nfs/dbraw/zinc/73/72/54/600737254.db2.gz SNRMMUCLIXTNJA-GOSISDBHSA-N -1 3 379.287 3.767 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736815668 600743215 /nfs/dbraw/zinc/74/32/15/600743215.db2.gz VQGFDOQBZNFEQS-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)ccc1C(=O)[O-] ZINC000738437774 600745638 /nfs/dbraw/zinc/74/56/38/600745638.db2.gz PUGGAADRWIXRIN-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000832982276 600797818 /nfs/dbraw/zinc/79/78/18/600797818.db2.gz RBEJIJZMHMKEIM-HDMKZQKVSA-N -1 3 384.501 3.738 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1csc(CCc2ccccc2)n1 ZINC000822744646 607487825 /nfs/dbraw/zinc/48/78/25/607487825.db2.gz YUAYMYYSUQFVIH-UHFFFAOYSA-N -1 3 394.479 3.537 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1csc(CCc2ccccc2)n1 ZINC000822744646 607487827 /nfs/dbraw/zinc/48/78/27/607487827.db2.gz YUAYMYYSUQFVIH-UHFFFAOYSA-N -1 3 394.479 3.537 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000822743910 607489670 /nfs/dbraw/zinc/48/96/70/607489670.db2.gz INLIJIKVLXGXTF-UHFFFAOYSA-N -1 3 389.438 3.818 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000822743910 607489672 /nfs/dbraw/zinc/48/96/72/607489672.db2.gz INLIJIKVLXGXTF-UHFFFAOYSA-N -1 3 389.438 3.818 20 0 GHADHM COc1ccc(CN(C)[C@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826192147 607495045 /nfs/dbraw/zinc/49/50/45/607495045.db2.gz AXEQJECYJFCKGJ-MRXNPFEDSA-N -1 3 377.370 3.611 20 0 GHADHM COc1ccc(CN(C)[C@H](c2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826192147 607495046 /nfs/dbraw/zinc/49/50/46/607495046.db2.gz AXEQJECYJFCKGJ-MRXNPFEDSA-N -1 3 377.370 3.611 20 0 GHADHM CC(C)(C)c1csc([C@@H]2CCCCN2Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824135266 607491834 /nfs/dbraw/zinc/49/18/34/607491834.db2.gz DBMVRNUMMPPQCL-HNNXBMFYSA-N -1 3 383.525 3.743 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000826183462 607513815 /nfs/dbraw/zinc/51/38/15/607513815.db2.gz PUQLCYFJHKIHTG-MRXNPFEDSA-N -1 3 392.488 3.822 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1ccccc1 ZINC000826044802 601655285 /nfs/dbraw/zinc/65/52/85/601655285.db2.gz LQQRFUWKTIEZML-VGOFRKELSA-N -1 3 392.455 3.864 20 0 GHADHM O=C([O-])NCCc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000740672492 602003714 /nfs/dbraw/zinc/00/37/14/602003714.db2.gz GTAROYXYMXJXPV-UHFFFAOYSA-N -1 3 390.867 3.601 20 0 GHADHM COc1cc(C(C)=O)ccc1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826177586 607541222 /nfs/dbraw/zinc/54/12/22/607541222.db2.gz NUGGDURHIFNVMH-UHFFFAOYSA-N -1 3 379.445 3.623 20 0 GHADHM COc1cc(C(C)=O)ccc1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826177586 607541223 /nfs/dbraw/zinc/54/12/23/607541223.db2.gz NUGGDURHIFNVMH-UHFFFAOYSA-N -1 3 379.445 3.623 20 0 GHADHM Fc1ccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2Cl)cc1 ZINC000826373692 607549607 /nfs/dbraw/zinc/54/96/07/607549607.db2.gz WHOFMXRPXLKLMO-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc([C@@H](NCc2ccnc(-c3nn[n-]n3)c2)c2ccccc2Cl)cc1 ZINC000826373692 607549609 /nfs/dbraw/zinc/54/96/09/607549609.db2.gz WHOFMXRPXLKLMO-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824651270 607562628 /nfs/dbraw/zinc/56/26/28/607562628.db2.gz YIVIPWVEROZTQK-QRWLVFNGSA-N -1 3 379.464 3.604 20 0 GHADHM O=C([O-])N1CCc2ccc(NC(=O)c3cccc(CN4CCCC4)c3)cc2C1 ZINC000740465802 602543684 /nfs/dbraw/zinc/54/36/84/602543684.db2.gz LDGMSNOHRAOBOO-UHFFFAOYSA-N -1 3 379.460 3.571 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825830549 607580741 /nfs/dbraw/zinc/58/07/41/607580741.db2.gz VSUSHTUHZIPOMW-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825830549 607580743 /nfs/dbraw/zinc/58/07/43/607580743.db2.gz VSUSHTUHZIPOMW-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CC[C@H](SC)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000825159732 607577821 /nfs/dbraw/zinc/57/78/21/607577821.db2.gz RVWJSHPLYGXKSD-SFHVURJKSA-N -1 3 399.495 3.989 20 0 GHADHM CC[C@H](SC)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000825159732 607577823 /nfs/dbraw/zinc/57/78/23/607577823.db2.gz RVWJSHPLYGXKSD-SFHVURJKSA-N -1 3 399.495 3.989 20 0 GHADHM O=C(OCc1nccs1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826467842 607596596 /nfs/dbraw/zinc/59/65/96/607596596.db2.gz ODBYEZOGLWGTPT-UHFFFAOYSA-N -1 3 395.469 3.831 20 0 GHADHM O=C(OCc1nccs1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826467842 607596597 /nfs/dbraw/zinc/59/65/97/607596597.db2.gz ODBYEZOGLWGTPT-UHFFFAOYSA-N -1 3 395.469 3.831 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739059416 603033854 /nfs/dbraw/zinc/03/38/54/603033854.db2.gz OVLGSKLAVGXDIH-CZUORRHYSA-N -1 3 386.427 3.873 20 0 GHADHM CC(C)c1ccc([C@H](CNC(=O)c2cccc(CN(C)C)c2)NC(=O)[O-])cc1 ZINC000738881136 603102104 /nfs/dbraw/zinc/10/21/04/603102104.db2.gz DDYSMFFRPVMDPD-FQEVSTJZSA-N -1 3 383.492 3.610 20 0 GHADHM CCN(Cc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccccc1)C(=O)[O-] ZINC000739448316 603354893 /nfs/dbraw/zinc/35/48/93/603354893.db2.gz RURWPOALDNJVIH-IBGZPJMESA-N -1 3 384.480 3.611 20 0 GHADHM CCN(CC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1)C(=O)[O-] ZINC000827100075 603515915 /nfs/dbraw/zinc/51/59/15/603515915.db2.gz UMAVDAUHLGFSDX-UHFFFAOYSA-N -1 3 383.492 3.873 20 0 GHADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(OCc2cccnc2)cc1 ZINC000825503417 603534853 /nfs/dbraw/zinc/53/48/53/603534853.db2.gz SXALVEWLUZGQND-OAHLLOKOSA-N -1 3 378.432 3.996 20 0 GHADHM OCCC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826508890 607636051 /nfs/dbraw/zinc/63/60/51/607636051.db2.gz FLEQOYORJZTXIH-MRXNPFEDSA-N -1 3 377.370 3.811 20 0 GHADHM OCCC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826508890 607636053 /nfs/dbraw/zinc/63/60/53/607636053.db2.gz FLEQOYORJZTXIH-MRXNPFEDSA-N -1 3 377.370 3.811 20 0 GHADHM CC[C@@H](NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccs1 ZINC000825139732 607647433 /nfs/dbraw/zinc/64/74/33/607647433.db2.gz HJWMTQNIVGIWML-CQSZACIVSA-N -1 3 384.534 3.533 20 0 GHADHM CC[C@@H](NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccs1 ZINC000825139732 607647434 /nfs/dbraw/zinc/64/74/34/607647434.db2.gz HJWMTQNIVGIWML-CQSZACIVSA-N -1 3 384.534 3.533 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367264 607669654 /nfs/dbraw/zinc/66/96/54/607669654.db2.gz MJLXARNQFPPJBD-IAOVAPTHSA-N -1 3 381.505 3.950 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367264 607669656 /nfs/dbraw/zinc/66/96/56/607669656.db2.gz MJLXARNQFPPJBD-IAOVAPTHSA-N -1 3 381.505 3.950 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000826251651 607671264 /nfs/dbraw/zinc/67/12/64/607671264.db2.gz WXZJYYHYAXLGRZ-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000826251651 607671266 /nfs/dbraw/zinc/67/12/66/607671266.db2.gz WXZJYYHYAXLGRZ-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825296623 607687181 /nfs/dbraw/zinc/68/71/81/607687181.db2.gz QQMTVAABTQIEMI-UHFFFAOYSA-N -1 3 378.436 3.556 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825296623 607687182 /nfs/dbraw/zinc/68/71/82/607687182.db2.gz QQMTVAABTQIEMI-UHFFFAOYSA-N -1 3 378.436 3.556 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826423968 607694424 /nfs/dbraw/zinc/69/44/24/607694424.db2.gz PUKFIECAYSQEPV-UHFFFAOYSA-N -1 3 383.864 3.594 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826423968 607694425 /nfs/dbraw/zinc/69/44/25/607694425.db2.gz PUKFIECAYSQEPV-UHFFFAOYSA-N -1 3 383.864 3.594 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833544480 604637336 /nfs/dbraw/zinc/63/73/36/604637336.db2.gz YMWYOPKGKGRPHZ-QVKFZJNVSA-N -1 3 387.451 3.623 20 0 GHADHM O=C([O-])[C@@H](O)C1CCN(Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000833770826 604763250 /nfs/dbraw/zinc/76/32/50/604763250.db2.gz OFPQJFQNZNXYCW-FQEVSTJZSA-N -1 3 389.879 3.577 20 0 GHADHM C[C@H](OC[C@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000584726008 604848833 /nfs/dbraw/zinc/84/88/33/604848833.db2.gz WAUWSBANUHFOSV-VBKZILBWSA-N -1 3 389.879 3.535 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824801080 607726671 /nfs/dbraw/zinc/72/66/71/607726671.db2.gz ACPXUBBNKGKHKQ-OAHLLOKOSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824801080 607726673 /nfs/dbraw/zinc/72/66/73/607726673.db2.gz ACPXUBBNKGKHKQ-OAHLLOKOSA-N -1 3 396.451 3.566 20 0 GHADHM O=C([O-])[C@@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1cccnc1 ZINC000833170454 605000402 /nfs/dbraw/zinc/00/04/02/605000402.db2.gz WBHFIEWXJAJQPA-QHCPKHFHSA-N -1 3 398.466 3.909 20 0 GHADHM COc1cc(C)cc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000826178177 607731473 /nfs/dbraw/zinc/73/14/73/607731473.db2.gz MZNAXEWHZXNVKO-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM COc1cc(C)cc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000826178177 607731475 /nfs/dbraw/zinc/73/14/75/607731475.db2.gz MZNAXEWHZXNVKO-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833497856 605178496 /nfs/dbraw/zinc/17/84/96/605178496.db2.gz KKUUETRTEITRCE-NRFANRHFSA-N -1 3 382.504 3.865 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000833412260 605182252 /nfs/dbraw/zinc/18/22/52/605182252.db2.gz JLDYREFRKQSNAB-QGZVFWFLSA-N -1 3 392.402 3.668 20 0 GHADHM CC[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825082038 607745823 /nfs/dbraw/zinc/74/58/23/607745823.db2.gz PETKPFZFIFQXGR-HUUCEWRRSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825082038 607745824 /nfs/dbraw/zinc/74/58/24/607745824.db2.gz PETKPFZFIFQXGR-HUUCEWRRSA-N -1 3 379.464 3.636 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000833538987 605310977 /nfs/dbraw/zinc/31/09/77/605310977.db2.gz FITWXIUBJCUCEY-DZGCQCFKSA-N -1 3 397.397 3.591 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826277787 607763101 /nfs/dbraw/zinc/76/31/01/607763101.db2.gz GRAOTGWBGBJWHP-AWEZNQCLSA-N -1 3 398.854 3.514 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826277787 607763102 /nfs/dbraw/zinc/76/31/02/607763102.db2.gz GRAOTGWBGBJWHP-AWEZNQCLSA-N -1 3 398.854 3.514 20 0 GHADHM CCCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825265726 607765790 /nfs/dbraw/zinc/76/57/90/607765790.db2.gz AGDWSWNEBYIDPY-GFCCVEGCSA-N -1 3 389.460 3.525 20 0 GHADHM CCCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825265726 607765791 /nfs/dbraw/zinc/76/57/91/607765791.db2.gz AGDWSWNEBYIDPY-GFCCVEGCSA-N -1 3 389.460 3.525 20 0 GHADHM CSc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826230609 607768716 /nfs/dbraw/zinc/76/87/16/607768716.db2.gz BGEVDCCATVVQDG-UHFFFAOYSA-N -1 3 394.485 3.964 20 0 GHADHM CSc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826230609 607768717 /nfs/dbraw/zinc/76/87/17/607768717.db2.gz BGEVDCCATVVQDG-UHFFFAOYSA-N -1 3 394.485 3.964 20 0 GHADHM COc1cc(C)sc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826178995 607770677 /nfs/dbraw/zinc/77/06/77/607770677.db2.gz UCOSNLVHKKMWJZ-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM COc1cc(C)sc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826178995 607770678 /nfs/dbraw/zinc/77/06/78/607770678.db2.gz UCOSNLVHKKMWJZ-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM O=C(C=Cc1ccsc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826402960 607768970 /nfs/dbraw/zinc/76/89/70/607768970.db2.gz GRVXBBDQUHAYBE-SNAWJCMRSA-N -1 3 380.458 3.704 20 0 GHADHM O=C(C=Cc1ccsc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826402960 607768971 /nfs/dbraw/zinc/76/89/71/607768971.db2.gz GRVXBBDQUHAYBE-SNAWJCMRSA-N -1 3 380.458 3.704 20 0 GHADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(N3CCCCC3=O)cc2)c2ccccc21 ZINC000834157059 605794499 /nfs/dbraw/zinc/79/44/99/605794499.db2.gz FLJBDBYQVKVJPF-VQTJNVASSA-N -1 3 379.460 3.747 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820329560 606029106 /nfs/dbraw/zinc/02/91/06/606029106.db2.gz XUWRTJPRGNXTPM-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820329560 606029108 /nfs/dbraw/zinc/02/91/08/606029108.db2.gz XUWRTJPRGNXTPM-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c2c1 ZINC000822275620 606055729 /nfs/dbraw/zinc/05/57/29/606055729.db2.gz XGPJWHSCXBCLHV-UHFFFAOYSA-N -1 3 391.479 3.784 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c2c1 ZINC000822275620 606055734 /nfs/dbraw/zinc/05/57/34/606055734.db2.gz XGPJWHSCXBCLHV-UHFFFAOYSA-N -1 3 391.479 3.784 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc2n[nH]cc2c1 ZINC000823366965 606109120 /nfs/dbraw/zinc/10/91/20/606109120.db2.gz BDVMMWHWFJUACL-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822945617 606122271 /nfs/dbraw/zinc/12/22/71/606122271.db2.gz LNLPBAHGWBHAQB-XQRVVYSFSA-N -1 3 383.452 3.988 20 0 GHADHM O=C(C/C=C\c1cccc(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822945617 606122272 /nfs/dbraw/zinc/12/22/72/606122272.db2.gz LNLPBAHGWBHAQB-XQRVVYSFSA-N -1 3 383.452 3.988 20 0 GHADHM COc1csc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000821911462 606123877 /nfs/dbraw/zinc/12/38/77/606123877.db2.gz TZUPBJXEWJDVET-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1csc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000821911462 606123878 /nfs/dbraw/zinc/12/38/78/606123878.db2.gz TZUPBJXEWJDVET-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1csc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000821911586 606123955 /nfs/dbraw/zinc/12/39/55/606123955.db2.gz ZKNPGJQYIPNSKY-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1csc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000821911586 606123956 /nfs/dbraw/zinc/12/39/56/606123956.db2.gz ZKNPGJQYIPNSKY-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM Cc1ncoc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822481700 606150793 /nfs/dbraw/zinc/15/07/93/606150793.db2.gz BNUOMEKGDGJDTR-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1ncoc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822481700 606150794 /nfs/dbraw/zinc/15/07/94/606150794.db2.gz BNUOMEKGDGJDTR-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000821699522 606174395 /nfs/dbraw/zinc/17/43/95/606174395.db2.gz SYFUHLLAXSTXFY-IHWYPQMZSA-N -1 3 388.786 3.677 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000821699522 606174396 /nfs/dbraw/zinc/17/43/96/606174396.db2.gz SYFUHLLAXSTXFY-IHWYPQMZSA-N -1 3 388.786 3.677 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000822351580 606196874 /nfs/dbraw/zinc/19/68/74/606196874.db2.gz OTJPXKBDUVCLAM-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000822351580 606196876 /nfs/dbraw/zinc/19/68/76/606196876.db2.gz OTJPXKBDUVCLAM-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM O=C(NCCc1ccco1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823223808 606246002 /nfs/dbraw/zinc/24/60/02/606246002.db2.gz KFDMTRKLZMIISC-UHFFFAOYSA-N -1 3 391.456 3.583 20 0 GHADHM O=C(NCCc1ccco1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823223808 606246004 /nfs/dbraw/zinc/24/60/04/606246004.db2.gz KFDMTRKLZMIISC-UHFFFAOYSA-N -1 3 391.456 3.583 20 0 GHADHM C[C@@H](Oc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1 ZINC000820550613 606254354 /nfs/dbraw/zinc/25/43/54/606254354.db2.gz XPHSHLSZCYJSBR-CQSZACIVSA-N -1 3 388.431 3.598 20 0 GHADHM C[C@@H](Oc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1 ZINC000820550613 606254357 /nfs/dbraw/zinc/25/43/57/606254357.db2.gz XPHSHLSZCYJSBR-CQSZACIVSA-N -1 3 388.431 3.598 20 0 GHADHM CCOCCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821378991 606258815 /nfs/dbraw/zinc/25/88/15/606258815.db2.gz ZFBUWBONVMVYJY-UHFFFAOYSA-N -1 3 397.504 3.564 20 0 GHADHM CCOCCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821378991 606258817 /nfs/dbraw/zinc/25/88/17/606258817.db2.gz ZFBUWBONVMVYJY-UHFFFAOYSA-N -1 3 397.504 3.564 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823357701 606259827 /nfs/dbraw/zinc/25/98/27/606259827.db2.gz ZFSHHYRTZCHQAL-CABCVRRESA-N -1 3 379.395 3.783 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823357701 606259828 /nfs/dbraw/zinc/25/98/28/606259828.db2.gz ZFSHHYRTZCHQAL-CABCVRRESA-N -1 3 379.395 3.783 20 0 GHADHM O=C(NCc1ccoc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823265661 606262443 /nfs/dbraw/zinc/26/24/43/606262443.db2.gz DCGBGIBLZWNMFA-UHFFFAOYSA-N -1 3 377.429 3.541 20 0 GHADHM O=C(NCc1ccoc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823265661 606262445 /nfs/dbraw/zinc/26/24/45/606262445.db2.gz DCGBGIBLZWNMFA-UHFFFAOYSA-N -1 3 377.429 3.541 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2ccc(F)cc2)n1 ZINC000823346423 606269480 /nfs/dbraw/zinc/26/94/80/606269480.db2.gz NNBNLXRKSBGPIF-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2ccc(F)cc2)n1 ZINC000823346423 606269482 /nfs/dbraw/zinc/26/94/82/606269482.db2.gz NNBNLXRKSBGPIF-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM COC(=O)[C@H](Nc1cccc(SC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644732 606304984 /nfs/dbraw/zinc/30/49/84/606304984.db2.gz HRRRCIXIULUGAC-CQSZACIVSA-N -1 3 391.403 3.508 20 0 GHADHM COC(=O)[C@H](Nc1cccc(SC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644732 606304986 /nfs/dbraw/zinc/30/49/86/606304986.db2.gz HRRRCIXIULUGAC-CQSZACIVSA-N -1 3 391.403 3.508 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820556404 606325897 /nfs/dbraw/zinc/32/58/97/606325897.db2.gz SYZWRWWFJFYLEK-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820556404 606325898 /nfs/dbraw/zinc/32/58/98/606325898.db2.gz SYZWRWWFJFYLEK-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM Nc1nc(CSc2cccc(-c3nnn[n-]3)c2)nc2sc3c(c21)CCCC3 ZINC000822907498 606328087 /nfs/dbraw/zinc/32/80/87/606328087.db2.gz POQZFDJVZNVGHE-UHFFFAOYSA-N -1 3 395.517 3.625 20 0 GHADHM Nc1nc(CSc2cccc(-c3nn[n-]n3)c2)nc2sc3c(c21)CCCC3 ZINC000822907498 606328089 /nfs/dbraw/zinc/32/80/89/606328089.db2.gz POQZFDJVZNVGHE-UHFFFAOYSA-N -1 3 395.517 3.625 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507697 606351227 /nfs/dbraw/zinc/35/12/27/606351227.db2.gz JOTAESPWIJEYEV-SSDOTTSWSA-N -1 3 382.182 3.626 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507697 606351228 /nfs/dbraw/zinc/35/12/28/606351228.db2.gz JOTAESPWIJEYEV-SSDOTTSWSA-N -1 3 382.182 3.626 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000822351087 606351762 /nfs/dbraw/zinc/35/17/62/606351762.db2.gz KLTOZXOTHZBDJP-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000822351087 606351763 /nfs/dbraw/zinc/35/17/63/606351763.db2.gz KLTOZXOTHZBDJP-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM C[C@H](OC(=O)c1ccc(Cl)c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512449 606352735 /nfs/dbraw/zinc/35/27/35/606352735.db2.gz KPXPIUDQXPGKGJ-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1ccc(Cl)c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512449 606352737 /nfs/dbraw/zinc/35/27/37/606352737.db2.gz KPXPIUDQXPGKGJ-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(c2ccccc2F)CC1 ZINC000823344085 606353380 /nfs/dbraw/zinc/35/33/80/606353380.db2.gz PVINPTPEQHTJLL-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(c2ccccc2F)CC1 ZINC000823344085 606353382 /nfs/dbraw/zinc/35/33/82/606353382.db2.gz PVINPTPEQHTJLL-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM C[C@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820499987 606356084 /nfs/dbraw/zinc/35/60/84/606356084.db2.gz BERQPZNSOVJTBG-LBPRGKRZSA-N -1 3 393.378 3.508 20 0 GHADHM C[C@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820499987 606356085 /nfs/dbraw/zinc/35/60/85/606356085.db2.gz BERQPZNSOVJTBG-LBPRGKRZSA-N -1 3 393.378 3.508 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822424197 606360684 /nfs/dbraw/zinc/36/06/84/606360684.db2.gz SXUOAJSBQBYHGG-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822424197 606360685 /nfs/dbraw/zinc/36/06/85/606360685.db2.gz SXUOAJSBQBYHGG-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(CC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cn1 ZINC000822234729 606361077 /nfs/dbraw/zinc/36/10/77/606361077.db2.gz FYJZUYAQRQCJMS-UHFFFAOYSA-N -1 3 387.399 3.511 20 0 GHADHM Cc1ccc(CC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000822234729 606361078 /nfs/dbraw/zinc/36/10/78/606361078.db2.gz FYJZUYAQRQCJMS-UHFFFAOYSA-N -1 3 387.399 3.511 20 0 GHADHM CS/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821956141 606361358 /nfs/dbraw/zinc/36/13/58/606361358.db2.gz HZCVDDHTGJWJGT-HJWRWDBZSA-N -1 3 381.461 3.569 20 0 GHADHM CS/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821956141 606361360 /nfs/dbraw/zinc/36/13/60/606361360.db2.gz HZCVDDHTGJWJGT-HJWRWDBZSA-N -1 3 381.461 3.569 20 0 GHADHM O=C(N[C@@H]1CCCSC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823149418 606365387 /nfs/dbraw/zinc/36/53/87/606365387.db2.gz BAAZPABNVJCZAZ-CQSZACIVSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(N[C@@H]1CCCSC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823149418 606365389 /nfs/dbraw/zinc/36/53/89/606365389.db2.gz BAAZPABNVJCZAZ-CQSZACIVSA-N -1 3 397.529 3.643 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225502 606396134 /nfs/dbraw/zinc/39/61/34/606396134.db2.gz JYEHLXGBRVEMPT-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225502 606396135 /nfs/dbraw/zinc/39/61/35/606396135.db2.gz JYEHLXGBRVEMPT-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM O=[S@](Cc1cccc(Nc2ncccc2-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823612587 606432934 /nfs/dbraw/zinc/43/29/34/606432934.db2.gz BSSFOORWUAQKBI-HHHXNRCGSA-N -1 3 382.493 3.587 20 0 GHADHM O=[S@](Cc1cccc(Nc2ncccc2-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823612587 606432936 /nfs/dbraw/zinc/43/29/36/606432936.db2.gz BSSFOORWUAQKBI-HHHXNRCGSA-N -1 3 382.493 3.587 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820717851 606440127 /nfs/dbraw/zinc/44/01/27/606440127.db2.gz XWANUAOMHKXGMC-QWHCGFSZSA-N -1 3 382.493 3.535 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000822761282 606450626 /nfs/dbraw/zinc/45/06/26/606450626.db2.gz GRISBDZESMAFMF-INIZCTEOSA-N -1 3 383.427 3.566 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000822761282 606450628 /nfs/dbraw/zinc/45/06/28/606450628.db2.gz GRISBDZESMAFMF-INIZCTEOSA-N -1 3 383.427 3.566 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455715 606455012 /nfs/dbraw/zinc/45/50/12/606455012.db2.gz MLEIPOLDKVBBKN-QMMMGPOBSA-N -1 3 389.341 3.641 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455715 606455013 /nfs/dbraw/zinc/45/50/13/606455013.db2.gz MLEIPOLDKVBBKN-QMMMGPOBSA-N -1 3 389.341 3.641 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821644574 606472771 /nfs/dbraw/zinc/47/27/71/606472771.db2.gz CZFNSCOCMGMUKM-SFHVURJKSA-N -1 3 395.463 3.508 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821644574 606472772 /nfs/dbraw/zinc/47/27/72/606472772.db2.gz CZFNSCOCMGMUKM-SFHVURJKSA-N -1 3 395.463 3.508 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000819975771 606479138 /nfs/dbraw/zinc/47/91/38/606479138.db2.gz BYZPEOXNVASNQR-UHFFFAOYSA-N -1 3 399.421 3.620 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000819975771 606479141 /nfs/dbraw/zinc/47/91/41/606479141.db2.gz BYZPEOXNVASNQR-UHFFFAOYSA-N -1 3 399.421 3.620 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821782934 606485828 /nfs/dbraw/zinc/48/58/28/606485828.db2.gz STUWIVVUVMOUKL-MRXNPFEDSA-N -1 3 383.477 3.694 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821782934 606485830 /nfs/dbraw/zinc/48/58/30/606485830.db2.gz STUWIVVUVMOUKL-MRXNPFEDSA-N -1 3 383.477 3.694 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Cc2ccccc2)CC1 ZINC000820152090 606496585 /nfs/dbraw/zinc/49/65/85/606496585.db2.gz SLXWGDAFLVYHAL-UHFFFAOYSA-N -1 3 377.448 3.615 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Cc2ccccc2)CC1 ZINC000820152090 606496586 /nfs/dbraw/zinc/49/65/86/606496586.db2.gz SLXWGDAFLVYHAL-UHFFFAOYSA-N -1 3 377.448 3.615 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358364 606529060 /nfs/dbraw/zinc/52/90/60/606529060.db2.gz MVAWZCYSXWXCBP-HUBLWGQQSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358364 606529061 /nfs/dbraw/zinc/52/90/61/606529061.db2.gz MVAWZCYSXWXCBP-HUBLWGQQSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000820542499 606535154 /nfs/dbraw/zinc/53/51/54/606535154.db2.gz OOWVZMWRNVRUJG-KSSFIOAISA-N -1 3 395.438 3.527 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000820542499 606535156 /nfs/dbraw/zinc/53/51/56/606535156.db2.gz OOWVZMWRNVRUJG-KSSFIOAISA-N -1 3 395.438 3.527 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCSc2ccc(Cl)cc21 ZINC000823472665 606546702 /nfs/dbraw/zinc/54/67/02/606546702.db2.gz UQCMQLGWZGYVFW-UHFFFAOYSA-N -1 3 377.882 3.724 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCSc2ccc(Cl)cc21 ZINC000823472665 606546704 /nfs/dbraw/zinc/54/67/04/606546704.db2.gz UQCMQLGWZGYVFW-UHFFFAOYSA-N -1 3 377.882 3.724 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1F)C1CCCCC1 ZINC000823087298 606552680 /nfs/dbraw/zinc/55/26/80/606552680.db2.gz NSWJGOFWLHJWIJ-UHFFFAOYSA-N -1 3 393.466 3.910 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CCCCC1 ZINC000823087298 606552681 /nfs/dbraw/zinc/55/26/81/606552681.db2.gz NSWJGOFWLHJWIJ-UHFFFAOYSA-N -1 3 393.466 3.910 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000822217319 606574704 /nfs/dbraw/zinc/57/47/04/606574704.db2.gz AXRBIKUWRORVAQ-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000822217319 606574705 /nfs/dbraw/zinc/57/47/05/606574705.db2.gz AXRBIKUWRORVAQ-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000822217788 606575071 /nfs/dbraw/zinc/57/50/71/606575071.db2.gz NMHDVHVVUZLTRP-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000822217788 606575072 /nfs/dbraw/zinc/57/50/72/606575072.db2.gz NMHDVHVVUZLTRP-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000821763068 606576535 /nfs/dbraw/zinc/57/65/35/606576535.db2.gz UXFORNJVYQJIHI-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000821763068 606576537 /nfs/dbraw/zinc/57/65/37/606576537.db2.gz UXFORNJVYQJIHI-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@@H]1C ZINC000820743098 606577450 /nfs/dbraw/zinc/57/74/50/606577450.db2.gz QHTWNTUPCPUWBP-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1C ZINC000820743098 606577451 /nfs/dbraw/zinc/57/74/51/606577451.db2.gz QHTWNTUPCPUWBP-KBPBESRZSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)[C@@H]1C ZINC000820717368 606577622 /nfs/dbraw/zinc/57/76/22/606577622.db2.gz QEIOYARJAYOCJF-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)[C@@H]1C ZINC000820717368 606577623 /nfs/dbraw/zinc/57/76/23/606577623.db2.gz QEIOYARJAYOCJF-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822929269 606578892 /nfs/dbraw/zinc/57/88/92/606578892.db2.gz RLBGUTOKMHNIEV-ZHACJKMWSA-N -1 3 397.438 3.725 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000822929269 606578894 /nfs/dbraw/zinc/57/88/94/606578894.db2.gz RLBGUTOKMHNIEV-ZHACJKMWSA-N -1 3 397.438 3.725 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000820530242 606602088 /nfs/dbraw/zinc/60/20/88/606602088.db2.gz YPAHKKYGGMSUBR-LIRRHRJNSA-N -1 3 395.438 3.527 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821859194 606602678 /nfs/dbraw/zinc/60/26/78/606602678.db2.gz MBBNFFKDLGCIIQ-INIZCTEOSA-N -1 3 393.491 3.806 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821859194 606602680 /nfs/dbraw/zinc/60/26/80/606602680.db2.gz MBBNFFKDLGCIIQ-INIZCTEOSA-N -1 3 393.491 3.806 20 0 GHADHM Clc1ccc(O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1Cl ZINC000822578668 606610145 /nfs/dbraw/zinc/61/01/45/606610145.db2.gz NOMCDXKUQRIJTL-CYBMUJFWSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccc(O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1Cl ZINC000822578668 606610147 /nfs/dbraw/zinc/61/01/47/606610147.db2.gz NOMCDXKUQRIJTL-CYBMUJFWSA-N -1 3 391.262 3.616 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000819899151 606618268 /nfs/dbraw/zinc/61/82/68/606618268.db2.gz OFMUNXMKCIVPAW-UHFFFAOYSA-N -1 3 380.477 3.904 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000819899151 606618269 /nfs/dbraw/zinc/61/82/69/606618269.db2.gz OFMUNXMKCIVPAW-UHFFFAOYSA-N -1 3 380.477 3.904 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000820877052 606626772 /nfs/dbraw/zinc/62/67/72/606626772.db2.gz YVFMDQQLGRPULZ-HNNXBMFYSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000820877052 606626774 /nfs/dbraw/zinc/62/67/74/606626774.db2.gz YVFMDQQLGRPULZ-HNNXBMFYSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c(OC(C)(C)C)c1 ZINC000822238803 606633106 /nfs/dbraw/zinc/63/31/06/606633106.db2.gz VPBSGUXBIOIVHD-UHFFFAOYSA-N -1 3 396.520 3.839 20 0 GHADHM Cc1ccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c(OC(C)(C)C)c1 ZINC000822238803 606633107 /nfs/dbraw/zinc/63/31/07/606633107.db2.gz VPBSGUXBIOIVHD-UHFFFAOYSA-N -1 3 396.520 3.839 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000820462236 606634662 /nfs/dbraw/zinc/63/46/62/606634662.db2.gz WCXQAOWGKAGLSQ-MRVPVSSYSA-N -1 3 384.749 3.987 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000820462236 606634663 /nfs/dbraw/zinc/63/46/63/606634663.db2.gz WCXQAOWGKAGLSQ-MRVPVSSYSA-N -1 3 384.749 3.987 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139900 606667302 /nfs/dbraw/zinc/66/73/02/606667302.db2.gz NQSPJVDYRDYGHT-MRXNPFEDSA-N -1 3 389.793 3.679 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139900 606667303 /nfs/dbraw/zinc/66/73/03/606667303.db2.gz NQSPJVDYRDYGHT-MRXNPFEDSA-N -1 3 389.793 3.679 20 0 GHADHM CC(C)(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000819981176 606675008 /nfs/dbraw/zinc/67/50/08/606675008.db2.gz PEKDYMNOOGCCRD-UHFFFAOYSA-N -1 3 391.809 3.506 20 0 GHADHM CC(C)(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000819981176 606675009 /nfs/dbraw/zinc/67/50/09/606675009.db2.gz PEKDYMNOOGCCRD-UHFFFAOYSA-N -1 3 391.809 3.506 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822940946 606678568 /nfs/dbraw/zinc/67/85/68/606678568.db2.gz KTMCYADHFWYZEC-KRWDZBQOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822940946 606678569 /nfs/dbraw/zinc/67/85/69/606678569.db2.gz KTMCYADHFWYZEC-KRWDZBQOSA-N -1 3 379.420 3.557 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000822350707 606686133 /nfs/dbraw/zinc/68/61/33/606686133.db2.gz GDJFABOUYGKYGB-KRWDZBQOSA-N -1 3 385.418 3.971 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000822350707 606686134 /nfs/dbraw/zinc/68/61/34/606686134.db2.gz GDJFABOUYGKYGB-KRWDZBQOSA-N -1 3 385.418 3.971 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820037529 606689249 /nfs/dbraw/zinc/68/92/49/606689249.db2.gz CWASVSKZVPVVKY-LJQANCHMSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820633434 606695676 /nfs/dbraw/zinc/69/56/76/606695676.db2.gz BJSVUJQHWHJSOX-IBGZPJMESA-N -1 3 382.855 3.716 20 0 GHADHM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820633434 606695677 /nfs/dbraw/zinc/69/56/77/606695677.db2.gz BJSVUJQHWHJSOX-IBGZPJMESA-N -1 3 382.855 3.716 20 0 GHADHM CCOc1cc(Cl)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821394028 606706767 /nfs/dbraw/zinc/70/67/67/606706767.db2.gz FFAGTBIAIHWNFA-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1cc(Cl)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821394028 606706768 /nfs/dbraw/zinc/70/67/68/606706768.db2.gz FFAGTBIAIHWNFA-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM Cc1cccc(C(C)C)c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822288920 606706822 /nfs/dbraw/zinc/70/68/22/606706822.db2.gz NFRBMKGKGMBOKL-UHFFFAOYSA-N -1 3 375.436 3.961 20 0 GHADHM Cc1cccc(C(C)C)c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822288920 606706823 /nfs/dbraw/zinc/70/68/23/606706823.db2.gz NFRBMKGKGMBOKL-UHFFFAOYSA-N -1 3 375.436 3.961 20 0 GHADHM COc1cccc(C=C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000821864298 606725077 /nfs/dbraw/zinc/72/50/77/606725077.db2.gz WBYFUWBBNRYRES-UHFFFAOYSA-N -1 3 382.855 3.608 20 0 GHADHM COc1cccc(C=C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000821864298 606725078 /nfs/dbraw/zinc/72/50/78/606725078.db2.gz WBYFUWBBNRYRES-UHFFFAOYSA-N -1 3 382.855 3.608 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC[C@H]2CCOC2)c1 ZINC000822238926 606726965 /nfs/dbraw/zinc/72/69/65/606726965.db2.gz ZWZHFWFUJWSDAU-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC[C@H]2CCOC2)c1 ZINC000822238926 606726967 /nfs/dbraw/zinc/72/69/67/606726967.db2.gz ZWZHFWFUJWSDAU-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1=CCCC1 ZINC000823350445 606727769 /nfs/dbraw/zinc/72/77/69/606727769.db2.gz NGVRNOVNYBTXMS-UHFFFAOYSA-N -1 3 379.395 3.634 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1=CCCC1 ZINC000823350445 606727771 /nfs/dbraw/zinc/72/77/71/606727771.db2.gz NGVRNOVNYBTXMS-UHFFFAOYSA-N -1 3 379.395 3.634 20 0 GHADHM CCO[C@H](CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(C)C ZINC000821350633 606733084 /nfs/dbraw/zinc/73/30/84/606733084.db2.gz ADYWOMCJQWTOEF-MRXNPFEDSA-N -1 3 399.520 3.663 20 0 GHADHM C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820391957 606733958 /nfs/dbraw/zinc/73/39/58/606733958.db2.gz SDSGDTPDSREBHP-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820391957 606733960 /nfs/dbraw/zinc/73/39/60/606733960.db2.gz SDSGDTPDSREBHP-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(=O)CC)cc1 ZINC000821123402 606739070 /nfs/dbraw/zinc/73/90/70/606739070.db2.gz QMBYIBPNHORKJG-UHFFFAOYSA-N -1 3 378.436 3.534 20 0 GHADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1sccc1-c1nnn[n-]1 ZINC000823223821 606744784 /nfs/dbraw/zinc/74/47/84/606744784.db2.gz KRNFSDDEGLJADN-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1sccc1-c1nn[n-]n1 ZINC000823223821 606744786 /nfs/dbraw/zinc/74/47/86/606744786.db2.gz KRNFSDDEGLJADN-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358406 606745238 /nfs/dbraw/zinc/74/52/38/606745238.db2.gz NJBMATKHRYGEPY-GUYCJALGSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358406 606745240 /nfs/dbraw/zinc/74/52/40/606745240.db2.gz NJBMATKHRYGEPY-GUYCJALGSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000820503238 606747829 /nfs/dbraw/zinc/74/78/29/606747829.db2.gz ZCEKUKZQRXLPFY-ZETCQYMHSA-N -1 3 382.729 3.855 20 0 GHADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000820503238 606747831 /nfs/dbraw/zinc/74/78/31/606747831.db2.gz ZCEKUKZQRXLPFY-ZETCQYMHSA-N -1 3 382.729 3.855 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)O1 ZINC000820972984 606787105 /nfs/dbraw/zinc/78/71/05/606787105.db2.gz SNBNYEPDUDWVJJ-HNAYVOBHSA-N -1 3 393.447 3.864 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)O1 ZINC000820972984 606787107 /nfs/dbraw/zinc/78/71/07/606787107.db2.gz SNBNYEPDUDWVJJ-HNAYVOBHSA-N -1 3 393.447 3.864 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccc2cccc(Br)c2n1 ZINC000822761663 606788633 /nfs/dbraw/zinc/78/86/33/606788633.db2.gz QRVFNKIAWKUCBG-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccc2cccc(Br)c2n1 ZINC000822761663 606788635 /nfs/dbraw/zinc/78/86/35/606788635.db2.gz QRVFNKIAWKUCBG-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820971742 606790508 /nfs/dbraw/zinc/79/05/08/606790508.db2.gz FJTUVUBBWJHPQP-MAUKXSAKSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820971742 606790509 /nfs/dbraw/zinc/79/05/09/606790509.db2.gz FJTUVUBBWJHPQP-MAUKXSAKSA-N -1 3 379.420 3.555 20 0 GHADHM Cc1ccncc1COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822378626 606801328 /nfs/dbraw/zinc/80/13/28/606801328.db2.gz CBAYOEYNLQZJBQ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccncc1COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822378626 606801330 /nfs/dbraw/zinc/80/13/30/606801330.db2.gz CBAYOEYNLQZJBQ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C(CC1CCSCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822945487 606810003 /nfs/dbraw/zinc/81/00/03/606810003.db2.gz HEIQWINATKFLBI-UHFFFAOYSA-N -1 3 377.539 3.669 20 0 GHADHM O=C(CC1CCSCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822945487 606810005 /nfs/dbraw/zinc/81/00/05/606810005.db2.gz HEIQWINATKFLBI-UHFFFAOYSA-N -1 3 377.539 3.669 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(=Cc2ccccc2F)CC1 ZINC000823454773 606812929 /nfs/dbraw/zinc/81/29/29/606812929.db2.gz UBQJDGOQNWVSOG-UHFFFAOYSA-N -1 3 399.376 3.604 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(=Cc2ccccc2F)CC1 ZINC000823454773 606812932 /nfs/dbraw/zinc/81/29/32/606812932.db2.gz UBQJDGOQNWVSOG-UHFFFAOYSA-N -1 3 399.376 3.604 20 0 GHADHM CN(c1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000821619392 606814390 /nfs/dbraw/zinc/81/43/90/606814390.db2.gz VDOFVJJZXRQPMU-UHFFFAOYSA-N -1 3 398.417 3.776 20 0 GHADHM CN(c1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000821619392 606814392 /nfs/dbraw/zinc/81/43/92/606814392.db2.gz VDOFVJJZXRQPMU-UHFFFAOYSA-N -1 3 398.417 3.776 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCc2ccccn2)cc1 ZINC000822143585 606830290 /nfs/dbraw/zinc/83/02/90/606830290.db2.gz DFITVGFWPWUVCG-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2ccccn2)cc1 ZINC000822143585 606830292 /nfs/dbraw/zinc/83/02/92/606830292.db2.gz DFITVGFWPWUVCG-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H](C)[C@@H]2CCOC2)cc1 ZINC000822143867 606841095 /nfs/dbraw/zinc/84/10/95/606841095.db2.gz HSFUROOUASLMOR-WMLDXEAASA-N -1 3 394.431 3.549 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H](C)[C@@H]2CCOC2)cc1 ZINC000822143867 606841097 /nfs/dbraw/zinc/84/10/97/606841097.db2.gz HSFUROOUASLMOR-WMLDXEAASA-N -1 3 394.431 3.549 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC000820548556 606850950 /nfs/dbraw/zinc/85/09/50/606850950.db2.gz CAVGAAZQBFIKRH-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC000820548556 606850951 /nfs/dbraw/zinc/85/09/51/606850951.db2.gz CAVGAAZQBFIKRH-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(c1ccc(F)cc1)C1CCCC1 ZINC000823455047 606856191 /nfs/dbraw/zinc/85/61/91/606856191.db2.gz VVUAMBQBXFAAKV-UHFFFAOYSA-N -1 3 387.365 3.873 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(c1ccc(F)cc1)C1CCCC1 ZINC000823455047 606856192 /nfs/dbraw/zinc/85/61/92/606856192.db2.gz VVUAMBQBXFAAKV-UHFFFAOYSA-N -1 3 387.365 3.873 20 0 GHADHM CCc1noc(C)c1CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821554673 606860016 /nfs/dbraw/zinc/86/00/16/606860016.db2.gz QJHIUZCXZHDHIV-UHFFFAOYSA-N -1 3 390.447 3.917 20 0 GHADHM CCc1noc(C)c1CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821554673 606860018 /nfs/dbraw/zinc/86/00/18/606860018.db2.gz QJHIUZCXZHDHIV-UHFFFAOYSA-N -1 3 390.447 3.917 20 0 GHADHM C[C@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358904 606863629 /nfs/dbraw/zinc/86/36/29/606863629.db2.gz QERSBPVUXGZHON-INIZCTEOSA-N -1 3 390.491 3.640 20 0 GHADHM C[C@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358904 606863631 /nfs/dbraw/zinc/86/36/31/606863631.db2.gz QERSBPVUXGZHON-INIZCTEOSA-N -1 3 390.491 3.640 20 0 GHADHM CC1(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000820618502 606870752 /nfs/dbraw/zinc/87/07/52/606870752.db2.gz GNYBHAZRBZENHH-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM CC1(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000820618502 606870753 /nfs/dbraw/zinc/87/07/53/606870753.db2.gz GNYBHAZRBZENHH-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM Cc1cc(C)n(-c2ccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)cc2F)n1 ZINC000822197940 606928353 /nfs/dbraw/zinc/92/83/53/606928353.db2.gz VMXONBHESNDNKG-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM Cc1cc(C)n(-c2ccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)cc2F)n1 ZINC000822197940 606928355 /nfs/dbraw/zinc/92/83/55/606928355.db2.gz VMXONBHESNDNKG-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM FC(F)(F)c1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822724132 606933647 /nfs/dbraw/zinc/93/36/47/606933647.db2.gz ZVIKIBBDAAVMMY-QGZVFWFLSA-N -1 3 389.381 3.854 20 0 GHADHM FC(F)(F)c1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822724132 606933649 /nfs/dbraw/zinc/93/36/49/606933649.db2.gz ZVIKIBBDAAVMMY-QGZVFWFLSA-N -1 3 389.381 3.854 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821082981 606935984 /nfs/dbraw/zinc/93/59/84/606935984.db2.gz RAEXMXWACDIICL-UHFFFAOYSA-N -1 3 393.476 3.844 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821082981 606935986 /nfs/dbraw/zinc/93/59/86/606935986.db2.gz RAEXMXWACDIICL-UHFFFAOYSA-N -1 3 393.476 3.844 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H]2CCC(F)(F)C2)cc1 ZINC000822136601 606940363 /nfs/dbraw/zinc/94/03/63/606940363.db2.gz MPWSMONQAFXDBT-HNNXBMFYSA-N -1 3 399.401 3.885 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H]2CCC(F)(F)C2)cc1 ZINC000822136601 606940365 /nfs/dbraw/zinc/94/03/65/606940365.db2.gz MPWSMONQAFXDBT-HNNXBMFYSA-N -1 3 399.401 3.885 20 0 GHADHM C[C@]1(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCCS1 ZINC000820618684 606954462 /nfs/dbraw/zinc/95/44/62/606954462.db2.gz LUNPKNWLNNUDEV-HXUWFJFHSA-N -1 3 394.504 3.626 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820950934 606957904 /nfs/dbraw/zinc/95/79/04/606957904.db2.gz SSDZOWOVTCKUOJ-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820950934 606957906 /nfs/dbraw/zinc/95/79/06/606957906.db2.gz SSDZOWOVTCKUOJ-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@H]1CCc2c(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)csc2C1 ZINC000820728063 606958420 /nfs/dbraw/zinc/95/84/20/606958420.db2.gz RYLQFCWJZOXMTM-JTQLQIEISA-N -1 3 387.896 3.983 20 0 GHADHM C[C@H]1CCc2c(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)csc2C1 ZINC000820728063 606958422 /nfs/dbraw/zinc/95/84/22/606958422.db2.gz RYLQFCWJZOXMTM-JTQLQIEISA-N -1 3 387.896 3.983 20 0 GHADHM Cc1cccc(C)c1OCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822299573 606961290 /nfs/dbraw/zinc/96/12/90/606961290.db2.gz NLEFGBALTVTDQK-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Cc1cccc(C)c1OCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822299573 606961293 /nfs/dbraw/zinc/96/12/93/606961293.db2.gz NLEFGBALTVTDQK-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CN(C(=O)[C@@H]1SCCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569239 606962562 /nfs/dbraw/zinc/96/25/62/606962562.db2.gz CLLIDSKOVWZXAZ-MRXNPFEDSA-N -1 3 385.880 3.514 20 0 GHADHM CN(C(=O)[C@@H]1SCCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569239 606962565 /nfs/dbraw/zinc/96/25/65/606962565.db2.gz CLLIDSKOVWZXAZ-MRXNPFEDSA-N -1 3 385.880 3.514 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574521 606963782 /nfs/dbraw/zinc/96/37/82/606963782.db2.gz KFZWVSPOBIUOMX-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574521 606963784 /nfs/dbraw/zinc/96/37/84/606963784.db2.gz KFZWVSPOBIUOMX-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000819899045 606964954 /nfs/dbraw/zinc/96/49/54/606964954.db2.gz MPONYBHWICLELN-AWEZNQCLSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000819899045 606964956 /nfs/dbraw/zinc/96/49/56/606964956.db2.gz MPONYBHWICLELN-AWEZNQCLSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820111626 606965860 /nfs/dbraw/zinc/96/58/60/606965860.db2.gz CTULXBZYUWRVIR-UHFFFAOYSA-N -1 3 389.381 3.870 20 0 GHADHM CC(C)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820111626 606965862 /nfs/dbraw/zinc/96/58/62/606965862.db2.gz CTULXBZYUWRVIR-UHFFFAOYSA-N -1 3 389.381 3.870 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820534711 606970711 /nfs/dbraw/zinc/97/07/11/606970711.db2.gz NHGMGOKRTPLFJU-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820534711 606970712 /nfs/dbraw/zinc/97/07/12/606970712.db2.gz NHGMGOKRTPLFJU-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000819832955 606972262 /nfs/dbraw/zinc/97/22/62/606972262.db2.gz DHHHLNIBOPLLEE-UHFFFAOYSA-N -1 3 387.399 3.606 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000819832955 606972264 /nfs/dbraw/zinc/97/22/64/606972264.db2.gz DHHHLNIBOPLLEE-UHFFFAOYSA-N -1 3 387.399 3.606 20 0 GHADHM CN(C(=O)CSc1ccc2ccccc2c1)c1ccccc1-c1nnn[n-]1 ZINC000821570972 606973210 /nfs/dbraw/zinc/97/32/10/606973210.db2.gz UCPBAULFCYPERR-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CN(C(=O)CSc1ccc2ccccc2c1)c1ccccc1-c1nn[n-]n1 ZINC000821570972 606973213 /nfs/dbraw/zinc/97/32/13/606973213.db2.gz UCPBAULFCYPERR-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CC(C)C(=O)Nc1cccc(F)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820012321 606974553 /nfs/dbraw/zinc/97/45/53/606974553.db2.gz ZDYHXQLHPGOFTD-LBPRGKRZSA-N -1 3 397.410 3.518 20 0 GHADHM CC(C)C(=O)Nc1cccc(F)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820012321 606974555 /nfs/dbraw/zinc/97/45/55/606974555.db2.gz ZDYHXQLHPGOFTD-LBPRGKRZSA-N -1 3 397.410 3.518 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CCC2(CCC2)C1 ZINC000823254606 606984264 /nfs/dbraw/zinc/98/42/64/606984264.db2.gz ZCPRZXDGBOQZAB-UHFFFAOYSA-N -1 3 394.504 3.681 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC000822242665 606989302 /nfs/dbraw/zinc/98/93/02/606989302.db2.gz SUIJTXHVKBZBCO-UHFFFAOYSA-N -1 3 388.431 3.519 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)cc2cccnc21 ZINC000823422550 607000936 /nfs/dbraw/zinc/00/09/36/607000936.db2.gz WAYWRBWCVZRNAP-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)cc2cccnc21 ZINC000823422550 607000938 /nfs/dbraw/zinc/00/09/38/607000938.db2.gz WAYWRBWCVZRNAP-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc2ccccc2s1 ZINC000819996861 607001403 /nfs/dbraw/zinc/00/14/03/607001403.db2.gz LGNYDHIVFNBZSH-UHFFFAOYSA-N -1 3 393.472 3.555 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc2ccccc2s1 ZINC000819996861 607001404 /nfs/dbraw/zinc/00/14/04/607001404.db2.gz LGNYDHIVFNBZSH-UHFFFAOYSA-N -1 3 393.472 3.555 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820554848 607013381 /nfs/dbraw/zinc/01/33/81/607013381.db2.gz AIKOAFGJGXRBSO-IUODEOHRSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820554848 607013383 /nfs/dbraw/zinc/01/33/83/607013383.db2.gz AIKOAFGJGXRBSO-IUODEOHRSA-N -1 3 385.518 3.773 20 0 GHADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2F)nnc1-c1ccc(F)cc1 ZINC000821565445 607016035 /nfs/dbraw/zinc/01/60/35/607016035.db2.gz TXBLAJLFDNLRMY-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCn1c(SCc2ccc(-c3nn[n-]n3)cc2F)nnc1-c1ccc(F)cc1 ZINC000821565445 607016037 /nfs/dbraw/zinc/01/60/37/607016037.db2.gz TXBLAJLFDNLRMY-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480390 607017000 /nfs/dbraw/zinc/01/70/00/607017000.db2.gz BSSFSBDJLPZHTE-ZIAGYGMSSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480390 607017002 /nfs/dbraw/zinc/01/70/02/607017002.db2.gz BSSFSBDJLPZHTE-ZIAGYGMSSA-N -1 3 381.505 3.787 20 0 GHADHM C[C@@H]1CC[C@@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820685237 607027344 /nfs/dbraw/zinc/02/73/44/607027344.db2.gz TXNQKSGLFOPVRV-TZMCWYRMSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@@H]1CC[C@@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820685237 607027347 /nfs/dbraw/zinc/02/73/47/607027347.db2.gz TXNQKSGLFOPVRV-TZMCWYRMSA-N -1 3 381.402 3.584 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000822221216 607029652 /nfs/dbraw/zinc/02/96/52/607029652.db2.gz FWFWGKKHXKALET-UHFFFAOYSA-N -1 3 385.427 3.860 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000822221216 607029653 /nfs/dbraw/zinc/02/96/53/607029653.db2.gz FWFWGKKHXKALET-UHFFFAOYSA-N -1 3 385.427 3.860 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cncc(F)c1 ZINC000822211782 607033091 /nfs/dbraw/zinc/03/30/91/607033091.db2.gz OHTLCIKCBFUMIC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM COc1ccccc1-c1nc(COc2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000821877684 607041641 /nfs/dbraw/zinc/04/16/41/607041641.db2.gz PZLFIPAMSCIWRD-UHFFFAOYSA-N -1 3 379.445 3.886 20 0 GHADHM COc1ccccc1-c1nc(COc2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000821877684 607041642 /nfs/dbraw/zinc/04/16/42/607041642.db2.gz PZLFIPAMSCIWRD-UHFFFAOYSA-N -1 3 379.445 3.886 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822299428 607061649 /nfs/dbraw/zinc/06/16/49/607061649.db2.gz IRKAQIJHZJZHMJ-INIZCTEOSA-N -1 3 383.843 3.593 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822299428 607061650 /nfs/dbraw/zinc/06/16/50/607061650.db2.gz IRKAQIJHZJZHMJ-INIZCTEOSA-N -1 3 383.843 3.593 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822596914 607066209 /nfs/dbraw/zinc/06/62/09/607066209.db2.gz YYTFUIJCJMNQOC-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822596914 607066210 /nfs/dbraw/zinc/06/62/10/607066210.db2.gz YYTFUIJCJMNQOC-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000822217988 607067322 /nfs/dbraw/zinc/06/73/22/607067322.db2.gz VCWKTRORVCKDFU-INIZCTEOSA-N -1 3 396.426 3.738 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000822217988 607067324 /nfs/dbraw/zinc/06/73/24/607067324.db2.gz VCWKTRORVCKDFU-INIZCTEOSA-N -1 3 396.426 3.738 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821393831 607095504 /nfs/dbraw/zinc/09/55/04/607095504.db2.gz CNESIMKLUDVYAJ-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821393831 607095506 /nfs/dbraw/zinc/09/55/06/607095506.db2.gz CNESIMKLUDVYAJ-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000821305022 607101277 /nfs/dbraw/zinc/10/12/77/607101277.db2.gz VIUFJGKNVVHAIQ-UHFFFAOYSA-N -1 3 377.235 3.858 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000822332066 607116729 /nfs/dbraw/zinc/11/67/29/607116729.db2.gz MDCXTNQXNVBQAU-CXAGYDPISA-N -1 3 392.488 3.751 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000822332066 607116731 /nfs/dbraw/zinc/11/67/31/607116731.db2.gz MDCXTNQXNVBQAU-CXAGYDPISA-N -1 3 392.488 3.751 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(F)cc1Cl ZINC000821412250 607122680 /nfs/dbraw/zinc/12/26/80/607122680.db2.gz JJPFMIVIVWQDDF-UHFFFAOYSA-N -1 3 375.791 3.619 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(F)cc1Cl ZINC000821412250 607122681 /nfs/dbraw/zinc/12/26/81/607122681.db2.gz JJPFMIVIVWQDDF-UHFFFAOYSA-N -1 3 375.791 3.619 20 0 GHADHM O=C(NC1CC=CC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823144806 607133591 /nfs/dbraw/zinc/13/35/91/607133591.db2.gz MFCUDNFHTUVIJF-UHFFFAOYSA-N -1 3 381.823 3.761 20 0 GHADHM C[C@@H](SCc1cc(-c2nnn[n-]2)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000820548637 607149703 /nfs/dbraw/zinc/14/97/03/607149703.db2.gz DHOUXOYXZMZKDW-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@@H](SCc1cc(-c2nn[n-]n2)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000820548637 607149704 /nfs/dbraw/zinc/14/97/04/607149704.db2.gz DHOUXOYXZMZKDW-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM CCO[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C(C)C ZINC000821351872 607150126 /nfs/dbraw/zinc/15/01/26/607150126.db2.gz WESFOFPCEYLJHG-CYBMUJFWSA-N -1 3 377.514 3.587 20 0 GHADHM CCO[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C(C)C ZINC000821351872 607150128 /nfs/dbraw/zinc/15/01/28/607150128.db2.gz WESFOFPCEYLJHG-CYBMUJFWSA-N -1 3 377.514 3.587 20 0 GHADHM Cc1sc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000822563164 607151437 /nfs/dbraw/zinc/15/14/37/607151437.db2.gz FUJABNITTJWXDE-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM Cc1sc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(-c2nn[n-]n2)c1C ZINC000822563164 607151438 /nfs/dbraw/zinc/15/14/38/607151438.db2.gz FUJABNITTJWXDE-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820937742 607153731 /nfs/dbraw/zinc/15/37/31/607153731.db2.gz CNEZJCKXBRRJBE-IBGZPJMESA-N -1 3 385.512 3.732 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820937742 607153732 /nfs/dbraw/zinc/15/37/32/607153732.db2.gz CNEZJCKXBRRJBE-IBGZPJMESA-N -1 3 385.512 3.732 20 0 GHADHM FC(F)(F)c1ccc2oc(CSc3ccc(-c4nnn[n-]4)cn3)nc2c1 ZINC000822729240 607161523 /nfs/dbraw/zinc/16/15/23/607161523.db2.gz XEPKPZSUWWTVMD-UHFFFAOYSA-N -1 3 378.339 3.714 20 0 GHADHM FC(F)(F)c1ccc2oc(CSc3ccc(-c4nn[n-]n4)cn3)nc2c1 ZINC000822729240 607161525 /nfs/dbraw/zinc/16/15/25/607161525.db2.gz XEPKPZSUWWTVMD-UHFFFAOYSA-N -1 3 378.339 3.714 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314470 607162464 /nfs/dbraw/zinc/16/24/64/607162464.db2.gz JMFQLBJKUHPGLU-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314470 607162466 /nfs/dbraw/zinc/16/24/66/607162466.db2.gz JMFQLBJKUHPGLU-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM Clc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1Cl ZINC000822586021 607166270 /nfs/dbraw/zinc/16/62/70/607166270.db2.gz QVCJCNVLFPQEPK-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1Cl ZINC000822586021 607166272 /nfs/dbraw/zinc/16/62/72/607166272.db2.gz QVCJCNVLFPQEPK-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cccc(-c2nnc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822582421 607167989 /nfs/dbraw/zinc/16/79/89/607167989.db2.gz SQIUFZIHWVHBHB-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cccc(-c2nnc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)o2)c1 ZINC000822582421 607167991 /nfs/dbraw/zinc/16/79/91/607167991.db2.gz SQIUFZIHWVHBHB-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821883204 607172185 /nfs/dbraw/zinc/17/21/85/607172185.db2.gz SCYBWCPBCJPKEM-XOBRGWDASA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821883204 607172186 /nfs/dbraw/zinc/17/21/86/607172186.db2.gz SCYBWCPBCJPKEM-XOBRGWDASA-N -1 3 375.432 3.909 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821982809 607189150 /nfs/dbraw/zinc/18/91/50/607189150.db2.gz BDMWPFMKBINDRB-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821982809 607189151 /nfs/dbraw/zinc/18/91/51/607189151.db2.gz BDMWPFMKBINDRB-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000820526051 607192613 /nfs/dbraw/zinc/19/26/13/607192613.db2.gz HYJALGWIJKKGSH-SECBINFHSA-N -1 3 393.781 3.864 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821016422 607193938 /nfs/dbraw/zinc/19/39/38/607193938.db2.gz WORUIRMGEAOYNL-BXUZGUMPSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821016422 607193939 /nfs/dbraw/zinc/19/39/39/607193939.db2.gz WORUIRMGEAOYNL-BXUZGUMPSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(F)cc1Cl ZINC000820151050 607210085 /nfs/dbraw/zinc/21/00/85/607210085.db2.gz BKYQQWCRMCWAHM-UHFFFAOYSA-N -1 3 389.818 3.628 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(F)cc1Cl ZINC000820151050 607210086 /nfs/dbraw/zinc/21/00/86/607210086.db2.gz BKYQQWCRMCWAHM-UHFFFAOYSA-N -1 3 389.818 3.628 20 0 GHADHM CC(=O)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000819832894 607237144 /nfs/dbraw/zinc/23/71/44/607237144.db2.gz CHUDBSKAXYHJCY-UHFFFAOYSA-N -1 3 387.399 3.509 20 0 GHADHM CC(=O)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000819832894 607237145 /nfs/dbraw/zinc/23/71/45/607237145.db2.gz CHUDBSKAXYHJCY-UHFFFAOYSA-N -1 3 387.399 3.509 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(C(F)(F)F)ccc1F ZINC000823319734 607241823 /nfs/dbraw/zinc/24/18/23/607241823.db2.gz YCDSVDDUTBMVDH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(C(F)(F)F)ccc1F ZINC000823319734 607241824 /nfs/dbraw/zinc/24/18/24/607241824.db2.gz YCDSVDDUTBMVDH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822436250 607242980 /nfs/dbraw/zinc/24/29/80/607242980.db2.gz JWFXMAANYDYMAJ-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822436250 607242981 /nfs/dbraw/zinc/24/29/81/607242981.db2.gz JWFXMAANYDYMAJ-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(-c2ccc(F)cc2)on1 ZINC000823319605 607243236 /nfs/dbraw/zinc/24/32/36/607243236.db2.gz VTESEDDYHHCWIL-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(-c2ccc(F)cc2)on1 ZINC000823319605 607243237 /nfs/dbraw/zinc/24/32/37/607243237.db2.gz VTESEDDYHHCWIL-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1NC(=O)CC(C)C ZINC000822183496 607247244 /nfs/dbraw/zinc/24/72/44/607247244.db2.gz GXEUGAUFVZJXDP-UHFFFAOYSA-N -1 3 397.410 3.518 20 0 GHADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1NC(=O)CC(C)C ZINC000822183496 607247245 /nfs/dbraw/zinc/24/72/45/607247245.db2.gz GXEUGAUFVZJXDP-UHFFFAOYSA-N -1 3 397.410 3.518 20 0 GHADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000826261125 607783429 /nfs/dbraw/zinc/78/34/29/607783429.db2.gz RWBYBVAPLCXIDG-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000826261125 607783430 /nfs/dbraw/zinc/78/34/30/607783430.db2.gz RWBYBVAPLCXIDG-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825160039 607786458 /nfs/dbraw/zinc/78/64/58/607786458.db2.gz WSVTYULLWKOAIS-GOSISDBHSA-N -1 3 379.464 3.811 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825160039 607786459 /nfs/dbraw/zinc/78/64/59/607786459.db2.gz WSVTYULLWKOAIS-GOSISDBHSA-N -1 3 379.464 3.811 20 0 GHADHM CCN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377140 607795482 /nfs/dbraw/zinc/79/54/82/607795482.db2.gz VABOTWNFWBNEGS-UHFFFAOYSA-N -1 3 390.472 3.586 20 0 GHADHM CCN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377140 607795483 /nfs/dbraw/zinc/79/54/83/607795483.db2.gz VABOTWNFWBNEGS-UHFFFAOYSA-N -1 3 390.472 3.586 20 0 GHADHM CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385891 607799989 /nfs/dbraw/zinc/79/99/89/607799989.db2.gz UWYNQVYUXSKRDO-UHFFFAOYSA-N -1 3 378.480 3.768 20 0 GHADHM CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385891 607799990 /nfs/dbraw/zinc/79/99/90/607799990.db2.gz UWYNQVYUXSKRDO-UHFFFAOYSA-N -1 3 378.480 3.768 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000820502409 607801051 /nfs/dbraw/zinc/80/10/51/607801051.db2.gz QZFJWBFJBGKEOA-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000820502409 607801052 /nfs/dbraw/zinc/80/10/52/607801052.db2.gz QZFJWBFJBGKEOA-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM O=C(NCCC1=CCCC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826436000 607803594 /nfs/dbraw/zinc/80/35/94/607803594.db2.gz DTUVZVCIXIUGKM-UHFFFAOYSA-N -1 3 395.492 3.536 20 0 GHADHM O=C(NCCC1=CCCC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826436000 607803595 /nfs/dbraw/zinc/80/35/95/607803595.db2.gz DTUVZVCIXIUGKM-UHFFFAOYSA-N -1 3 395.492 3.536 20 0 GHADHM Cc1cc2c(cc1Br)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826273035 607825028 /nfs/dbraw/zinc/82/50/28/607825028.db2.gz MVZGVDDRTNHRIQ-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1cc2c(cc1Br)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826273035 607825029 /nfs/dbraw/zinc/82/50/29/607825029.db2.gz MVZGVDDRTNHRIQ-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM O=C(NCCc1ccc(Cl)cc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439051 607832608 /nfs/dbraw/zinc/83/26/08/607832608.db2.gz CMBHTBRURVOIQE-UHFFFAOYSA-N -1 3 396.665 3.799 20 0 GHADHM O=C(NCCc1ccc(Cl)cc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439051 607832609 /nfs/dbraw/zinc/83/26/09/607832609.db2.gz CMBHTBRURVOIQE-UHFFFAOYSA-N -1 3 396.665 3.799 20 0 GHADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1cc(F)cc(F)c1 ZINC000826407987 607843160 /nfs/dbraw/zinc/84/31/60/607843160.db2.gz LJHJTSKFNIOXHN-UHFFFAOYSA-N -1 3 395.822 3.919 20 0 GHADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cc(F)cc(F)c1 ZINC000826407987 607843161 /nfs/dbraw/zinc/84/31/61/607843161.db2.gz LJHJTSKFNIOXHN-UHFFFAOYSA-N -1 3 395.822 3.919 20 0 GHADHM O=C(Oc1cc(Br)ccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000826467626 607866491 /nfs/dbraw/zinc/86/64/91/607866491.db2.gz FORAWDXNKIJSIO-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM O=C(Oc1cc(Br)ccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000826467626 607866492 /nfs/dbraw/zinc/86/64/92/607866492.db2.gz FORAWDXNKIJSIO-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824333144 607911734 /nfs/dbraw/zinc/91/17/34/607911734.db2.gz FLZBCLTXHUJBOH-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824333144 607911735 /nfs/dbraw/zinc/91/17/35/607911735.db2.gz FLZBCLTXHUJBOH-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000825820724 607917537 /nfs/dbraw/zinc/91/75/37/607917537.db2.gz QMQRIHWORSRECS-AWEZNQCLSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000825820724 607917538 /nfs/dbraw/zinc/91/75/38/607917538.db2.gz QMQRIHWORSRECS-AWEZNQCLSA-N -1 3 396.476 3.628 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C(C)(C)C2CCCC2)cc1-c1nnn[n-]1 ZINC000825523281 607942948 /nfs/dbraw/zinc/94/29/48/607942948.db2.gz PHAPIRSVVRIBEB-UHFFFAOYSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C(C)(C)C2CCCC2)cc1-c1nn[n-]n1 ZINC000825523281 607942949 /nfs/dbraw/zinc/94/29/49/607942949.db2.gz PHAPIRSVVRIBEB-UHFFFAOYSA-N -1 3 386.456 3.590 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)[nH]c2c1 ZINC000824136630 607950381 /nfs/dbraw/zinc/95/03/81/607950381.db2.gz SFNAJAAQGORSSP-UHFFFAOYSA-N -1 3 386.459 3.848 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)[nH]c2c1 ZINC000824136630 607950382 /nfs/dbraw/zinc/95/03/82/607950382.db2.gz SFNAJAAQGORSSP-UHFFFAOYSA-N -1 3 386.459 3.848 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(Cl)c(Cl)c1 ZINC000824039311 607950462 /nfs/dbraw/zinc/95/04/62/607950462.db2.gz DDPXWSXDFQNMSM-SNVBAGLBSA-N -1 3 388.258 3.866 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(Cl)c(Cl)c1 ZINC000824039311 607950463 /nfs/dbraw/zinc/95/04/63/607950463.db2.gz DDPXWSXDFQNMSM-SNVBAGLBSA-N -1 3 388.258 3.866 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826242658 607950917 /nfs/dbraw/zinc/95/09/17/607950917.db2.gz ZVPSNPQRKYAHFB-HNNXBMFYSA-N -1 3 390.491 3.834 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826242658 607950918 /nfs/dbraw/zinc/95/09/18/607950918.db2.gz ZVPSNPQRKYAHFB-HNNXBMFYSA-N -1 3 390.491 3.834 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824761919 607954654 /nfs/dbraw/zinc/95/46/54/607954654.db2.gz CZVHAEJICYGWMX-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824761919 607954655 /nfs/dbraw/zinc/95/46/55/607954655.db2.gz CZVHAEJICYGWMX-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC000825134409 607961611 /nfs/dbraw/zinc/96/16/11/607961611.db2.gz UFEGNFXOFARBDK-HNNXBMFYSA-N -1 3 399.455 3.532 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC000825134409 607961612 /nfs/dbraw/zinc/96/16/12/607961612.db2.gz UFEGNFXOFARBDK-HNNXBMFYSA-N -1 3 399.455 3.532 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826273819 607968473 /nfs/dbraw/zinc/96/84/73/607968473.db2.gz VSIWXHQVQVWXNI-UHFFFAOYSA-N -1 3 377.433 3.639 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000826273819 607968474 /nfs/dbraw/zinc/96/84/74/607968474.db2.gz VSIWXHQVQVWXNI-UHFFFAOYSA-N -1 3 377.433 3.639 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000824292792 607979327 /nfs/dbraw/zinc/97/93/27/607979327.db2.gz ABXLJVUDQKQHLU-UHFFFAOYSA-N -1 3 393.495 3.688 20 0 GHADHM COc1ccc(CSCC(=O)Nc2c(C)cc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826207500 607984486 /nfs/dbraw/zinc/98/44/86/607984486.db2.gz QIOXGIJJLVVRTL-UHFFFAOYSA-N -1 3 397.504 3.672 20 0 GHADHM COc1ccc(CSCC(=O)Nc2c(C)cc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826207500 607984487 /nfs/dbraw/zinc/98/44/87/607984487.db2.gz QIOXGIJJLVVRTL-UHFFFAOYSA-N -1 3 397.504 3.672 20 0 GHADHM OCCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826508832 607991439 /nfs/dbraw/zinc/99/14/39/607991439.db2.gz CSSJGZHRKUKTST-HNNXBMFYSA-N -1 3 388.269 3.555 20 0 GHADHM Cc1cc([C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262101 608009297 /nfs/dbraw/zinc/00/92/97/608009297.db2.gz DTTVIRHMOZHDAT-XADARROHSA-N -1 3 377.423 3.595 20 0 GHADHM Cc1cc([C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262101 608009298 /nfs/dbraw/zinc/00/92/98/608009298.db2.gz DTTVIRHMOZHDAT-XADARROHSA-N -1 3 377.423 3.595 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1C1CC1 ZINC000825081421 608024094 /nfs/dbraw/zinc/02/40/94/608024094.db2.gz IVLBLQPKEWKTPI-VIFPVBQESA-N -1 3 385.497 3.842 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1C1CC1 ZINC000825081421 608024095 /nfs/dbraw/zinc/02/40/95/608024095.db2.gz IVLBLQPKEWKTPI-VIFPVBQESA-N -1 3 385.497 3.842 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C1CC1 ZINC000825082704 608024198 /nfs/dbraw/zinc/02/41/98/608024198.db2.gz UWWBFPXSFZOHRF-SNVBAGLBSA-N -1 3 385.859 3.817 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C1CC1 ZINC000825082704 608024199 /nfs/dbraw/zinc/02/41/99/608024199.db2.gz UWWBFPXSFZOHRF-SNVBAGLBSA-N -1 3 385.859 3.817 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000826185350 608060240 /nfs/dbraw/zinc/06/02/40/608060240.db2.gz HQUAFJZJOMZOQK-AWEZNQCLSA-N -1 3 379.464 3.816 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000826185350 608060241 /nfs/dbraw/zinc/06/02/41/608060241.db2.gz HQUAFJZJOMZOQK-AWEZNQCLSA-N -1 3 379.464 3.816 20 0 GHADHM CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000825826153 608062014 /nfs/dbraw/zinc/06/20/14/608062014.db2.gz ZCGGJQWWESNNOK-UHFFFAOYSA-N -1 3 395.369 3.898 20 0 GHADHM CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000825826153 608062015 /nfs/dbraw/zinc/06/20/15/608062015.db2.gz ZCGGJQWWESNNOK-UHFFFAOYSA-N -1 3 395.369 3.898 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1sc(-c2ccccc2)nc1C(F)F ZINC000826453051 608063396 /nfs/dbraw/zinc/06/33/96/608063396.db2.gz TWSMEQPNCXURDE-UHFFFAOYSA-N -1 3 399.386 3.575 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1sc(-c2ccccc2)nc1C(F)F ZINC000826453051 608063397 /nfs/dbraw/zinc/06/33/97/608063397.db2.gz TWSMEQPNCXURDE-UHFFFAOYSA-N -1 3 399.386 3.575 20 0 GHADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000824206981 608072155 /nfs/dbraw/zinc/07/21/55/608072155.db2.gz NCXNORCIOIMHLO-OAHLLOKOSA-N -1 3 391.353 3.835 20 0 GHADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000824206981 608072156 /nfs/dbraw/zinc/07/21/56/608072156.db2.gz NCXNORCIOIMHLO-OAHLLOKOSA-N -1 3 391.353 3.835 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826350910 608077318 /nfs/dbraw/zinc/07/73/18/608077318.db2.gz PTWCVHFSFZSCBZ-CQSZACIVSA-N -1 3 381.827 3.788 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826350910 608077319 /nfs/dbraw/zinc/07/73/19/608077319.db2.gz PTWCVHFSFZSCBZ-CQSZACIVSA-N -1 3 381.827 3.788 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824498195 608100265 /nfs/dbraw/zinc/10/02/65/608100265.db2.gz DFZGTKUAIHLDOP-CKFHNAJUSA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824498195 608100266 /nfs/dbraw/zinc/10/02/66/608100266.db2.gz DFZGTKUAIHLDOP-CKFHNAJUSA-N -1 3 376.464 3.551 20 0 GHADHM CCOC(=O)C(=Cc1cc(-c2nnn[n-]2)cs1)c1nc(C(C)C)c(C)s1 ZINC000825486679 608109389 /nfs/dbraw/zinc/10/93/89/608109389.db2.gz VUAPGJNUFZBQEJ-NTUHNPAUSA-N -1 3 389.506 3.920 20 0 GHADHM CCOC(=O)C(=Cc1cc(-c2nn[n-]n2)cs1)c1nc(C(C)C)c(C)s1 ZINC000825486679 608109390 /nfs/dbraw/zinc/10/93/90/608109390.db2.gz VUAPGJNUFZBQEJ-NTUHNPAUSA-N -1 3 389.506 3.920 20 0 GHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825435273 608116325 /nfs/dbraw/zinc/11/63/25/608116325.db2.gz RSIAZIFBIQPXKW-UHFFFAOYSA-N -1 3 392.850 3.731 20 0 GHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825435273 608116326 /nfs/dbraw/zinc/11/63/26/608116326.db2.gz RSIAZIFBIQPXKW-UHFFFAOYSA-N -1 3 392.850 3.731 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824078898 608131203 /nfs/dbraw/zinc/13/12/03/608131203.db2.gz LFZHIXBWYFIIJA-MRXNPFEDSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824078898 608131204 /nfs/dbraw/zinc/13/12/04/608131204.db2.gz LFZHIXBWYFIIJA-MRXNPFEDSA-N -1 3 395.463 3.547 20 0 GHADHM CCc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc2n1 ZINC000825700350 608153276 /nfs/dbraw/zinc/15/32/76/608153276.db2.gz CCWDQQJDFPJLDB-UHFFFAOYSA-N -1 3 399.414 3.606 20 0 GHADHM CCc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc2n1 ZINC000825700350 608153278 /nfs/dbraw/zinc/15/32/78/608153278.db2.gz CCWDQQJDFPJLDB-UHFFFAOYSA-N -1 3 399.414 3.606 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(Oc2nccs2)cc1 ZINC000826184789 608154241 /nfs/dbraw/zinc/15/42/41/608154241.db2.gz KWDJPFDQVVBBLP-UHFFFAOYSA-N -1 3 381.417 3.703 20 0 GHADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824040691 608159261 /nfs/dbraw/zinc/15/92/61/608159261.db2.gz SYAZGEVJWBRULI-VIFPVBQESA-N -1 3 377.782 3.565 20 0 GHADHM C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824040691 608159263 /nfs/dbraw/zinc/15/92/63/608159263.db2.gz SYAZGEVJWBRULI-VIFPVBQESA-N -1 3 377.782 3.565 20 0 GHADHM O=C(CCCC(F)(F)F)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826405820 608161269 /nfs/dbraw/zinc/16/12/69/608161269.db2.gz VGNWELGCWPUYRM-UHFFFAOYSA-N -1 3 395.410 3.944 20 0 GHADHM COc1ccc(CNC(=O)C/C=C\c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826196512 608164932 /nfs/dbraw/zinc/16/49/32/608164932.db2.gz FCJQNGWVILCTFQ-PLNGDYQASA-N -1 3 391.475 3.718 20 0 GHADHM COc1ccc(CNC(=O)C/C=C\c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826196512 608164933 /nfs/dbraw/zinc/16/49/33/608164933.db2.gz FCJQNGWVILCTFQ-PLNGDYQASA-N -1 3 391.475 3.718 20 0 GHADHM CC1CCC(N(C)C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824919711 608205906 /nfs/dbraw/zinc/20/59/06/608205906.db2.gz XGSVWGQZRNJXSG-UHFFFAOYSA-N -1 3 379.917 3.649 20 0 GHADHM CC1CCC(N(C)C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824919711 608205907 /nfs/dbraw/zinc/20/59/07/608205907.db2.gz XGSVWGQZRNJXSG-UHFFFAOYSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824384356 608219599 /nfs/dbraw/zinc/21/95/99/608219599.db2.gz BAESQHBHGNRYJC-CQSZACIVSA-N -1 3 383.883 3.747 20 0 GHADHM C[C@@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384356 608219601 /nfs/dbraw/zinc/21/96/01/608219601.db2.gz BAESQHBHGNRYJC-CQSZACIVSA-N -1 3 383.883 3.747 20 0 GHADHM CC(C)(CO)[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000824162892 608232997 /nfs/dbraw/zinc/23/29/97/608232997.db2.gz SWULJTHYDIEIFG-GOSISDBHSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000824162892 608232999 /nfs/dbraw/zinc/23/29/99/608232999.db2.gz SWULJTHYDIEIFG-GOSISDBHSA-N -1 3 388.475 3.629 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1-n1cccn1 ZINC000824662629 608233290 /nfs/dbraw/zinc/23/32/90/608233290.db2.gz OLPVIDJKSFLRBS-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1-n1cccn1 ZINC000824662629 608233291 /nfs/dbraw/zinc/23/32/91/608233291.db2.gz OLPVIDJKSFLRBS-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1cnc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826318363 608236850 /nfs/dbraw/zinc/23/68/50/608236850.db2.gz FNWZJGXYUBYJQG-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1cnc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826318363 608236852 /nfs/dbraw/zinc/23/68/52/608236852.db2.gz FNWZJGXYUBYJQG-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000826274920 608272304 /nfs/dbraw/zinc/27/23/04/608272304.db2.gz IYDAANLCMNKPNC-MYJAWHEDSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000826274920 608272306 /nfs/dbraw/zinc/27/23/06/608272306.db2.gz IYDAANLCMNKPNC-MYJAWHEDSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccnc2Oc2cccc(F)c2)n1 ZINC000826277549 608274618 /nfs/dbraw/zinc/27/46/18/608274618.db2.gz XUQGCCQZNYDRMT-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccnc2Oc2cccc(F)c2)n1 ZINC000826277549 608274620 /nfs/dbraw/zinc/27/46/20/608274620.db2.gz XUQGCCQZNYDRMT-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM CCOc1ccc(Cl)cc1[C@@H](C)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825638469 608284605 /nfs/dbraw/zinc/28/46/05/608284605.db2.gz LNLBWLIGURHHAG-LLVKDONJSA-N -1 3 375.835 3.909 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826263918 608298298 /nfs/dbraw/zinc/29/82/98/608298298.db2.gz VVHDEJGBSSUJKP-SJORKVTESA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826263918 608298301 /nfs/dbraw/zinc/29/83/01/608298301.db2.gz VVHDEJGBSSUJKP-SJORKVTESA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826263916 608298317 /nfs/dbraw/zinc/29/83/17/608298317.db2.gz VVHDEJGBSSUJKP-IAGOWNOFSA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826263916 608298320 /nfs/dbraw/zinc/29/83/20/608298320.db2.gz VVHDEJGBSSUJKP-IAGOWNOFSA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cnc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826319094 608301913 /nfs/dbraw/zinc/30/19/13/608301913.db2.gz OBANOMKRSRIZOX-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1cnc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826319094 608301915 /nfs/dbraw/zinc/30/19/15/608301915.db2.gz OBANOMKRSRIZOX-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824929458 608309018 /nfs/dbraw/zinc/30/90/18/608309018.db2.gz XPIMEXPIGZLGLO-VQIMIIECSA-N -1 3 397.523 3.912 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824929458 608309020 /nfs/dbraw/zinc/30/90/20/608309020.db2.gz XPIMEXPIGZLGLO-VQIMIIECSA-N -1 3 397.523 3.912 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1F ZINC000826289185 608313849 /nfs/dbraw/zinc/31/38/49/608313849.db2.gz OGPUCWMNVCHELD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1F ZINC000826289185 608313850 /nfs/dbraw/zinc/31/38/50/608313850.db2.gz OGPUCWMNVCHELD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000826170444 608319983 /nfs/dbraw/zinc/31/99/83/608319983.db2.gz ZYTKWCVVBMPKAS-OAQYLSRUSA-N -1 3 389.434 3.894 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000826170444 608319985 /nfs/dbraw/zinc/31/99/85/608319985.db2.gz ZYTKWCVVBMPKAS-OAQYLSRUSA-N -1 3 389.434 3.894 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(C(F)(F)F)cs1 ZINC000826173451 608322626 /nfs/dbraw/zinc/32/26/26/608322626.db2.gz DXPXHQQJBBYHFK-UHFFFAOYSA-N -1 3 387.412 3.784 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(C(F)(F)F)cs1 ZINC000826173451 608322627 /nfs/dbraw/zinc/32/26/27/608322627.db2.gz DXPXHQQJBBYHFK-UHFFFAOYSA-N -1 3 387.412 3.784 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000824343112 608327559 /nfs/dbraw/zinc/32/75/59/608327559.db2.gz XDWOVNDSANGSBM-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000824343112 608327560 /nfs/dbraw/zinc/32/75/60/608327560.db2.gz XDWOVNDSANGSBM-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367806 608341728 /nfs/dbraw/zinc/34/17/28/608341728.db2.gz XEIZQPLHSOIIOS-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367806 608341729 /nfs/dbraw/zinc/34/17/29/608341729.db2.gz XEIZQPLHSOIIOS-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825152525 608342990 /nfs/dbraw/zinc/34/29/90/608342990.db2.gz AXIDFKCGARGQHU-INIZCTEOSA-N -1 3 377.876 3.611 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825152525 608342992 /nfs/dbraw/zinc/34/29/92/608342992.db2.gz AXIDFKCGARGQHU-INIZCTEOSA-N -1 3 377.876 3.611 20 0 GHADHM CCN(C(=O)[C@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367059 608344715 /nfs/dbraw/zinc/34/47/15/608344715.db2.gz IOANXKOWDMAFCA-IRXDYDNUSA-N -1 3 397.866 3.685 20 0 GHADHM CCN(C(=O)[C@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367059 608344716 /nfs/dbraw/zinc/34/47/16/608344716.db2.gz IOANXKOWDMAFCA-IRXDYDNUSA-N -1 3 397.866 3.685 20 0 GHADHM CCC[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825233067 608356467 /nfs/dbraw/zinc/35/64/67/608356467.db2.gz MOLZKYSCAQYTKP-HNNXBMFYSA-N -1 3 378.480 3.864 20 0 GHADHM CCC[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825233067 608356469 /nfs/dbraw/zinc/35/64/69/608356469.db2.gz MOLZKYSCAQYTKP-HNNXBMFYSA-N -1 3 378.480 3.864 20 0 GHADHM CN(CC1CCCC1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825909221 608356846 /nfs/dbraw/zinc/35/68/46/608356846.db2.gz UKCHROJIPIMMPP-UHFFFAOYSA-N -1 3 390.491 3.865 20 0 GHADHM CN(CC1CCCC1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825909221 608356847 /nfs/dbraw/zinc/35/68/47/608356847.db2.gz UKCHROJIPIMMPP-UHFFFAOYSA-N -1 3 390.491 3.865 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000825668966 608404036 /nfs/dbraw/zinc/40/40/36/608404036.db2.gz NGHMKODLMHGRMH-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000825668966 608404038 /nfs/dbraw/zinc/40/40/38/608404038.db2.gz NGHMKODLMHGRMH-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM CC(C)CN(C(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255191 608447454 /nfs/dbraw/zinc/44/74/54/608447454.db2.gz BYZUMVSCJIJKCY-UHFFFAOYSA-N -1 3 390.422 3.857 20 0 GHADHM CC(C)CN(C(=O)c1cc(F)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255191 608447456 /nfs/dbraw/zinc/44/74/56/608447456.db2.gz BYZUMVSCJIJKCY-UHFFFAOYSA-N -1 3 390.422 3.857 20 0 GHADHM Cc1ccc(F)cc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826289747 608469374 /nfs/dbraw/zinc/46/93/74/608469374.db2.gz LGIAPTYMHQAZRN-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1ccc(F)cc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826289747 608469375 /nfs/dbraw/zinc/46/93/75/608469375.db2.gz LGIAPTYMHQAZRN-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398518 608477451 /nfs/dbraw/zinc/47/74/51/608477451.db2.gz YMOFKDYRXXTJQB-WOJBJXKFSA-N -1 3 377.492 3.699 20 0 GHADHM O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398518 608477452 /nfs/dbraw/zinc/47/74/52/608477452.db2.gz YMOFKDYRXXTJQB-WOJBJXKFSA-N -1 3 377.492 3.699 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825126831 608478346 /nfs/dbraw/zinc/47/83/46/608478346.db2.gz JQBTYIGUPVUDGW-AWEZNQCLSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825126831 608478348 /nfs/dbraw/zinc/47/83/48/608478348.db2.gz JQBTYIGUPVUDGW-AWEZNQCLSA-N -1 3 398.492 3.922 20 0 GHADHM O=C([C@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398620 608480383 /nfs/dbraw/zinc/48/03/83/608480383.db2.gz AGLAQIUORCSSLX-NRFANRHFSA-N -1 3 385.471 3.603 20 0 GHADHM O=C([C@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398620 608480385 /nfs/dbraw/zinc/48/03/85/608480385.db2.gz AGLAQIUORCSSLX-NRFANRHFSA-N -1 3 385.471 3.603 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)n1C(C)C ZINC000826257656 608480506 /nfs/dbraw/zinc/48/05/06/608480506.db2.gz KWJCVVSNLNPARZ-UHFFFAOYSA-N -1 3 390.491 3.795 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)n1C(C)C ZINC000826257656 608480508 /nfs/dbraw/zinc/48/05/08/608480508.db2.gz KWJCVVSNLNPARZ-UHFFFAOYSA-N -1 3 390.491 3.795 20 0 GHADHM Cc1c2ccccc2oc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826234243 608483290 /nfs/dbraw/zinc/48/32/90/608483290.db2.gz NXDYOYLNSZZPKB-UHFFFAOYSA-N -1 3 385.427 3.851 20 0 GHADHM Cc1c2ccccc2oc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826234243 608483292 /nfs/dbraw/zinc/48/32/92/608483292.db2.gz NXDYOYLNSZZPKB-UHFFFAOYSA-N -1 3 385.427 3.851 20 0 GHADHM O=C(/C=C\Sc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399759 608483659 /nfs/dbraw/zinc/48/36/59/608483659.db2.gz FJYBZLCPDNZPCP-QINSGFPZSA-N -1 3 389.484 3.788 20 0 GHADHM O=C(/C=C\Sc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399759 608483661 /nfs/dbraw/zinc/48/36/61/608483661.db2.gz FJYBZLCPDNZPCP-QINSGFPZSA-N -1 3 389.484 3.788 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000824342765 608484345 /nfs/dbraw/zinc/48/43/45/608484345.db2.gz UBBODUHUFBHNDH-UKIBZPOASA-N -1 3 379.508 3.945 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000824342765 608484347 /nfs/dbraw/zinc/48/43/47/608484347.db2.gz UBBODUHUFBHNDH-UKIBZPOASA-N -1 3 379.508 3.945 20 0 GHADHM O=C(CC/C=C/c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405397 608485334 /nfs/dbraw/zinc/48/53/34/608485334.db2.gz DJZGUBRBSPLUID-XBXARRHUSA-N -1 3 385.471 3.976 20 0 GHADHM O=C(CC/C=C/c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405397 608485336 /nfs/dbraw/zinc/48/53/36/608485336.db2.gz DJZGUBRBSPLUID-XBXARRHUSA-N -1 3 385.471 3.976 20 0 GHADHM Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826287587 608486677 /nfs/dbraw/zinc/48/66/77/608486677.db2.gz UZJQTAOWMTXRJC-UHFFFAOYSA-N -1 3 387.487 3.732 20 0 GHADHM Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1 ZINC000826287587 608486679 /nfs/dbraw/zinc/48/66/79/608486679.db2.gz UZJQTAOWMTXRJC-UHFFFAOYSA-N -1 3 387.487 3.732 20 0 GHADHM Cc1c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cnc2ccccc12 ZINC000826234133 608486773 /nfs/dbraw/zinc/48/67/73/608486773.db2.gz JFDCNZURTAZMAK-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM Cc1c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cnc2ccccc12 ZINC000826234133 608486775 /nfs/dbraw/zinc/48/67/75/608486775.db2.gz JFDCNZURTAZMAK-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM CCCc1csc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)n1 ZINC000825353330 608490225 /nfs/dbraw/zinc/49/02/25/608490225.db2.gz VPBKSWUKOWJTHV-UHFFFAOYSA-N -1 3 383.264 3.835 20 0 GHADHM CCCc1csc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825353330 608490226 /nfs/dbraw/zinc/49/02/26/608490226.db2.gz VPBKSWUKOWJTHV-UHFFFAOYSA-N -1 3 383.264 3.835 20 0 GHADHM C[C@@H](N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547109 608517355 /nfs/dbraw/zinc/51/73/55/608517355.db2.gz MPUGTUWETJIMSS-ACJLOTCBSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547109 608517358 /nfs/dbraw/zinc/51/73/58/608517358.db2.gz MPUGTUWETJIMSS-ACJLOTCBSA-N -1 3 387.447 3.645 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)c1cccc(OC)c1 ZINC000825379949 608575345 /nfs/dbraw/zinc/57/53/45/608575345.db2.gz MTWXBSGVUHILIE-GFCCVEGCSA-N -1 3 385.855 3.752 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)c1cccc(OC)c1 ZINC000825379949 608575346 /nfs/dbraw/zinc/57/53/46/608575346.db2.gz MTWXBSGVUHILIE-GFCCVEGCSA-N -1 3 385.855 3.752 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cnc(-c2ccccc2)s1 ZINC000826408541 608585087 /nfs/dbraw/zinc/58/50/87/608585087.db2.gz KZLMCBUVUZRKOT-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cnc(-c2ccccc2)s1 ZINC000826408541 608585089 /nfs/dbraw/zinc/58/50/89/608585089.db2.gz KZLMCBUVUZRKOT-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CN1Cc2ccccc2-c2ccccc2C1 ZINC000826523386 608676140 /nfs/dbraw/zinc/67/61/40/608676140.db2.gz LABJGTWGTQQOON-UHFFFAOYSA-N -1 3 393.454 3.697 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CN1Cc2ccccc2-c2ccccc2C1 ZINC000826523386 608676141 /nfs/dbraw/zinc/67/61/41/608676141.db2.gz LABJGTWGTQQOON-UHFFFAOYSA-N -1 3 393.454 3.697 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427122 608827566 /nfs/dbraw/zinc/82/75/66/608827566.db2.gz GTFYLFUWTFHQAO-MRXNPFEDSA-N -1 3 387.365 3.767 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427122 608827567 /nfs/dbraw/zinc/82/75/67/608827567.db2.gz GTFYLFUWTFHQAO-MRXNPFEDSA-N -1 3 387.365 3.767 20 0 GHADHM c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2Nc1ccc(N2CCCCC2)cn1 ZINC000826518607 609179594 /nfs/dbraw/zinc/17/95/94/609179594.db2.gz SSUNCGXXDQKMSS-LJQANCHMSA-N -1 3 375.480 3.742 20 0 GHADHM O=C(Nc1ccccc1SC1CCCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457419 609197188 /nfs/dbraw/zinc/19/71/88/609197188.db2.gz AHECTYWIDVDTJU-GOSISDBHSA-N -1 3 395.488 3.574 20 0 GHADHM O=C(Nc1ccccc1SC1CCCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457419 609197189 /nfs/dbraw/zinc/19/71/89/609197189.db2.gz AHECTYWIDVDTJU-GOSISDBHSA-N -1 3 395.488 3.574 20 0 GHADHM c1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC[C@H]2CCCO2)c1 ZINC000826517262 609238070 /nfs/dbraw/zinc/23/80/70/609238070.db2.gz WPISWSFIPNPCQV-CTNGQTDRSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC[C@H]2CCCO2)c1 ZINC000826517262 609238071 /nfs/dbraw/zinc/23/80/71/609238071.db2.gz WPISWSFIPNPCQV-CTNGQTDRSA-N -1 3 391.475 3.914 20 0 GHADHM CCCC[C@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825267324 609240577 /nfs/dbraw/zinc/24/05/77/609240577.db2.gz KQHAAGQXZFPWKA-HNAYVOBHSA-N -1 3 384.528 3.599 20 0 GHADHM CCCC[C@H]1CCC[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825267324 609240579 /nfs/dbraw/zinc/24/05/79/609240579.db2.gz KQHAAGQXZFPWKA-HNAYVOBHSA-N -1 3 384.528 3.599 20 0 GHADHM Cc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1C ZINC000826283618 609242847 /nfs/dbraw/zinc/24/28/47/609242847.db2.gz WCZPREVVJPVPQS-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1C ZINC000826283618 609242848 /nfs/dbraw/zinc/24/28/48/609242848.db2.gz WCZPREVVJPVPQS-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1Nc1ccc(F)cc1 ZINC000826423595 609264484 /nfs/dbraw/zinc/26/44/84/609264484.db2.gz XFKWJHBKALYROE-UHFFFAOYSA-N -1 3 388.406 3.931 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1Nc1ccc(F)cc1 ZINC000826423595 609264486 /nfs/dbraw/zinc/26/44/86/609264486.db2.gz XFKWJHBKALYROE-UHFFFAOYSA-N -1 3 388.406 3.931 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662690 609276565 /nfs/dbraw/zinc/27/65/65/609276565.db2.gz PMLWGWFDMXNNIW-QAPCUYQASA-N -1 3 379.464 3.988 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662690 609276567 /nfs/dbraw/zinc/27/65/67/609276567.db2.gz PMLWGWFDMXNNIW-QAPCUYQASA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H]1CN(c2ccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CCO1 ZINC000824991477 609279802 /nfs/dbraw/zinc/27/98/02/609279802.db2.gz BLAPLQYAYRBMSS-YCRPNKLZSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@H]1CN(c2ccc(N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)CCO1 ZINC000824991477 609279803 /nfs/dbraw/zinc/27/98/03/609279803.db2.gz BLAPLQYAYRBMSS-YCRPNKLZSA-N -1 3 390.491 3.581 20 0 GHADHM COc1cc(Br)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826177192 609281642 /nfs/dbraw/zinc/28/16/42/609281642.db2.gz WAUWSOVZGQZGQO-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(Br)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826177192 609281643 /nfs/dbraw/zinc/28/16/43/609281643.db2.gz WAUWSOVZGQZGQO-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455290 609298742 /nfs/dbraw/zinc/29/87/42/609298742.db2.gz HYGNHCDEUXHTRZ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455290 609298743 /nfs/dbraw/zinc/29/87/43/609298743.db2.gz HYGNHCDEUXHTRZ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1C ZINC000825081711 609303819 /nfs/dbraw/zinc/30/38/19/609303819.db2.gz MNSVEWCELKLBAN-QWRGUYRKSA-N -1 3 399.524 3.781 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1C ZINC000825081711 609303821 /nfs/dbraw/zinc/30/38/21/609303821.db2.gz MNSVEWCELKLBAN-QWRGUYRKSA-N -1 3 399.524 3.781 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@@H](F)Cc1ccccc1 ZINC000826459732 609304839 /nfs/dbraw/zinc/30/48/39/609304839.db2.gz XKUXAUWHNLKAQC-HNNXBMFYSA-N -1 3 394.435 3.510 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@@H](F)Cc1ccccc1 ZINC000826459732 609304841 /nfs/dbraw/zinc/30/48/41/609304841.db2.gz XKUXAUWHNLKAQC-HNNXBMFYSA-N -1 3 394.435 3.510 20 0 GHADHM CN(Cc1cccs1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825986157 609305527 /nfs/dbraw/zinc/30/55/27/609305527.db2.gz RHDDOZBULVNPPO-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM CN(Cc1cccs1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825986157 609305528 /nfs/dbraw/zinc/30/55/28/609305528.db2.gz RHDDOZBULVNPPO-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C2CC2)s1 ZINC000823821569 609310460 /nfs/dbraw/zinc/31/04/60/609310460.db2.gz WTTDGEYRGYDXEN-UHFFFAOYSA-N -1 3 395.311 3.650 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C2CC2)s1 ZINC000823821569 609310461 /nfs/dbraw/zinc/31/04/61/609310461.db2.gz WTTDGEYRGYDXEN-UHFFFAOYSA-N -1 3 395.311 3.650 20 0 GHADHM CC(C)CCn1cccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824249154 609319805 /nfs/dbraw/zinc/31/98/05/609319805.db2.gz IOLIAVXZBOHPDE-UHFFFAOYSA-N -1 3 394.458 3.651 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826227767 609324660 /nfs/dbraw/zinc/32/46/60/609324660.db2.gz XKZWEIUVTOGJTG-UONOGXRCSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826227767 609324662 /nfs/dbraw/zinc/32/46/62/609324662.db2.gz XKZWEIUVTOGJTG-UONOGXRCSA-N -1 3 395.488 3.673 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2ccc(-c3nnn[n-]3)cn2)on1 ZINC000826213595 609324830 /nfs/dbraw/zinc/32/48/30/609324830.db2.gz CXMACGPREXEBBR-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CNc2ccc(-c3nn[n-]n3)cn2)on1 ZINC000826213595 609324832 /nfs/dbraw/zinc/32/48/32/609324832.db2.gz CXMACGPREXEBBR-UHFFFAOYSA-N -1 3 399.414 3.691 20 0 GHADHM Cc1nc(C)c(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826324507 609327501 /nfs/dbraw/zinc/32/75/01/609327501.db2.gz USWLOYNJKOVZGR-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(C)c(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826324507 609327503 /nfs/dbraw/zinc/32/75/03/609327503.db2.gz USWLOYNJKOVZGR-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824647662 609347408 /nfs/dbraw/zinc/34/74/08/609347408.db2.gz BBHYOQVPTSEIJT-VIFPVBQESA-N -1 3 375.791 3.604 20 0 GHADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824647662 609347411 /nfs/dbraw/zinc/34/74/11/609347411.db2.gz BBHYOQVPTSEIJT-VIFPVBQESA-N -1 3 375.791 3.604 20 0 GHADHM CC(C)(C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1cccnc1 ZINC000824065173 609366442 /nfs/dbraw/zinc/36/64/42/609366442.db2.gz VANVWQUWSMDQHY-UHFFFAOYSA-N -1 3 385.427 3.812 20 0 GHADHM CC(C)(C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1 ZINC000824065173 609366445 /nfs/dbraw/zinc/36/64/45/609366445.db2.gz VANVWQUWSMDQHY-UHFFFAOYSA-N -1 3 385.427 3.812 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1c(F)cccc1F ZINC000824613561 609367569 /nfs/dbraw/zinc/36/75/69/609367569.db2.gz VDVPADWYOTZYPS-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1c(F)cccc1F ZINC000824613561 609367571 /nfs/dbraw/zinc/36/75/71/609367571.db2.gz VDVPADWYOTZYPS-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184490 609378070 /nfs/dbraw/zinc/37/80/70/609378070.db2.gz VGONOKZEHPAJEC-CVEARBPZSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184490 609378072 /nfs/dbraw/zinc/37/80/72/609378072.db2.gz VGONOKZEHPAJEC-CVEARBPZSA-N -1 3 395.463 3.588 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825106591 609378605 /nfs/dbraw/zinc/37/86/05/609378605.db2.gz GCMBBEKFQXEBRP-CZUORRHYSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825106591 609378608 /nfs/dbraw/zinc/37/86/08/609378608.db2.gz GCMBBEKFQXEBRP-CZUORRHYSA-N -1 3 392.891 3.625 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824723367 609385331 /nfs/dbraw/zinc/38/53/31/609385331.db2.gz QMQBCRFGSZRTGV-CQSZACIVSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824723367 609385336 /nfs/dbraw/zinc/38/53/36/609385336.db2.gz QMQBCRFGSZRTGV-CQSZACIVSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000824953170 609394938 /nfs/dbraw/zinc/39/49/38/609394938.db2.gz CKDVBKVVEXOOKI-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000824953170 609394940 /nfs/dbraw/zinc/39/49/40/609394940.db2.gz CKDVBKVVEXOOKI-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826286920 609425834 /nfs/dbraw/zinc/42/58/34/609425834.db2.gz VTXURUVQKGJDDT-INIZCTEOSA-N -1 3 375.476 3.545 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826286920 609425835 /nfs/dbraw/zinc/42/58/35/609425835.db2.gz VTXURUVQKGJDDT-INIZCTEOSA-N -1 3 375.476 3.545 20 0 GHADHM CC(C)CNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266443 609442834 /nfs/dbraw/zinc/44/28/34/609442834.db2.gz LQHIYSYRGHQILF-CQSZACIVSA-N -1 3 380.521 3.715 20 0 GHADHM CC(C)CNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266443 609442837 /nfs/dbraw/zinc/44/28/37/609442837.db2.gz LQHIYSYRGHQILF-CQSZACIVSA-N -1 3 380.521 3.715 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824499629 609451978 /nfs/dbraw/zinc/45/19/78/609451978.db2.gz QEGISWWOJMWCFK-MFKMUULPSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824499629 609451980 /nfs/dbraw/zinc/45/19/80/609451980.db2.gz QEGISWWOJMWCFK-MFKMUULPSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000826232020 609469332 /nfs/dbraw/zinc/46/93/32/609469332.db2.gz DSCGQPPVGWAEGF-ZDUSSCGKSA-N -1 3 390.472 3.656 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000826232020 609469334 /nfs/dbraw/zinc/46/93/34/609469334.db2.gz DSCGQPPVGWAEGF-ZDUSSCGKSA-N -1 3 390.472 3.656 20 0 GHADHM C[C@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824892116 609483090 /nfs/dbraw/zinc/48/30/90/609483090.db2.gz DQXMPMCANFWCPD-SUMWQHHRSA-N -1 3 383.427 3.564 20 0 GHADHM C[C@H]1C[C@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824892116 609483092 /nfs/dbraw/zinc/48/30/92/609483092.db2.gz DQXMPMCANFWCPD-SUMWQHHRSA-N -1 3 383.427 3.564 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc(C)c(OC)c(C)c2)cc1-c1nnn[n-]1 ZINC000825552670 609487766 /nfs/dbraw/zinc/48/77/66/609487766.db2.gz CXGCFDAYXMSMCY-UHFFFAOYSA-N -1 3 396.451 3.673 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc(C)c(OC)c(C)c2)cc1-c1nn[n-]n1 ZINC000825552670 609487767 /nfs/dbraw/zinc/48/77/67/609487767.db2.gz CXGCFDAYXMSMCY-UHFFFAOYSA-N -1 3 396.451 3.673 20 0 GHADHM Cc1cccc([C@@H]2CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)c1 ZINC000826297809 609496291 /nfs/dbraw/zinc/49/62/91/609496291.db2.gz SZPJRIIWTUGOAX-MRXNPFEDSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1cccc([C@@H]2CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)c1 ZINC000826297809 609496295 /nfs/dbraw/zinc/49/62/95/609496295.db2.gz SZPJRIIWTUGOAX-MRXNPFEDSA-N -1 3 393.495 3.753 20 0 GHADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824925763 609499209 /nfs/dbraw/zinc/49/92/09/609499209.db2.gz GSVGQFHZXWSVBF-IFXJQAMLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824925763 609499210 /nfs/dbraw/zinc/49/92/10/609499210.db2.gz GSVGQFHZXWSVBF-IFXJQAMLSA-N -1 3 377.448 3.820 20 0 GHADHM CCCc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cnn1-c1ccccc1 ZINC000825348653 609499509 /nfs/dbraw/zinc/49/95/09/609499509.db2.gz UZOQGCCWHDLRNZ-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cnn1-c1ccccc1 ZINC000825348653 609499513 /nfs/dbraw/zinc/49/95/13/609499513.db2.gz UZOQGCCWHDLRNZ-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826267523 609504864 /nfs/dbraw/zinc/50/48/64/609504864.db2.gz JLFGUBDEVOFUNO-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826267523 609504865 /nfs/dbraw/zinc/50/48/65/609504865.db2.gz JLFGUBDEVOFUNO-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000826232036 609510604 /nfs/dbraw/zinc/51/06/04/609510604.db2.gz GJHMPSAAOMMRFA-LBPRGKRZSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1 ZINC000826232036 609510606 /nfs/dbraw/zinc/51/06/06/609510606.db2.gz GJHMPSAAOMMRFA-LBPRGKRZSA-N -1 3 376.445 3.732 20 0 GHADHM Cc1ccnc(N2CCC[C@H](c3nc4ccccc4s3)C2)c1-c1nnn[n-]1 ZINC000826309928 609520934 /nfs/dbraw/zinc/52/09/34/609520934.db2.gz GSODODMPHZLAMW-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccnc(N2CCC[C@H](c3nc4ccccc4s3)C2)c1-c1nn[n-]n1 ZINC000826309928 609520936 /nfs/dbraw/zinc/52/09/36/609520936.db2.gz GSODODMPHZLAMW-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccnc(NCc2ccc(Oc3cccnc3)c(F)c2)c1-c1nnn[n-]1 ZINC000826314134 609540588 /nfs/dbraw/zinc/54/05/88/609540588.db2.gz IFALBBZENNZSPO-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccnc(NCc2ccc(Oc3cccnc3)c(F)c2)c1-c1nn[n-]n1 ZINC000826314134 609540589 /nfs/dbraw/zinc/54/05/89/609540589.db2.gz IFALBBZENNZSPO-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1-c1nn[n-]n1 ZINC000826238909 609551563 /nfs/dbraw/zinc/55/15/63/609551563.db2.gz SJNOAPZYRDNPJG-MRVPVSSYSA-N -1 3 389.250 3.926 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824867259 609559693 /nfs/dbraw/zinc/55/96/93/609559693.db2.gz OTBUKCKEBLDPIJ-NVXWUHKLSA-N -1 3 397.523 3.699 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](COc2ccccc2)C1 ZINC000826304635 609572821 /nfs/dbraw/zinc/57/28/21/609572821.db2.gz SLUNDTBHSKIDPL-INIZCTEOSA-N -1 3 386.459 3.629 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](COc2ccccc2)C1 ZINC000826304635 609572823 /nfs/dbraw/zinc/57/28/23/609572823.db2.gz SLUNDTBHSKIDPL-INIZCTEOSA-N -1 3 386.459 3.629 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825251870 609599277 /nfs/dbraw/zinc/59/92/77/609599277.db2.gz FFEGRUPDFCWEGI-CABCVRRESA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825251870 609599280 /nfs/dbraw/zinc/59/92/80/609599280.db2.gz FFEGRUPDFCWEGI-CABCVRRESA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824492478 609606747 /nfs/dbraw/zinc/60/67/47/609606747.db2.gz ZJUAZQJLSAQYJZ-WZLNFYFKSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824492478 609606748 /nfs/dbraw/zinc/60/67/48/609606748.db2.gz ZJUAZQJLSAQYJZ-WZLNFYFKSA-N -1 3 388.475 3.815 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826456281 609607821 /nfs/dbraw/zinc/60/78/21/609607821.db2.gz XHVUAMXTTSUMCH-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826456281 609607822 /nfs/dbraw/zinc/60/78/22/609607822.db2.gz XHVUAMXTTSUMCH-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM CCc1nnc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000825767031 609607899 /nfs/dbraw/zinc/60/78/99/609607899.db2.gz GMBMATHLJTYGQG-CYBMUJFWSA-N -1 3 391.504 3.798 20 0 GHADHM CCc1nnc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000825767031 609607901 /nfs/dbraw/zinc/60/79/01/609607901.db2.gz GMBMATHLJTYGQG-CYBMUJFWSA-N -1 3 391.504 3.798 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826264541 609609456 /nfs/dbraw/zinc/60/94/56/609609456.db2.gz RRGGLRQWHORUPN-QFBILLFUSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826264541 609609457 /nfs/dbraw/zinc/60/94/57/609609457.db2.gz RRGGLRQWHORUPN-QFBILLFUSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)c21 ZINC000826304382 609616215 /nfs/dbraw/zinc/61/62/15/609616215.db2.gz JHLPIDGCGNVBDI-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)c21 ZINC000826304382 609616217 /nfs/dbraw/zinc/61/62/17/609616217.db2.gz JHLPIDGCGNVBDI-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM CC(C)(C)C(=O)N1CCC(COC(=O)c2cccc3[n-]c(C(F)F)nc32)CC1 ZINC000924080555 837418610 /nfs/dbraw/zinc/41/86/10/837418610.db2.gz ZLWREOZQNWSZDB-UHFFFAOYSA-N -1 3 393.434 3.942 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)c(F)c1 ZINC000414393074 837663766 /nfs/dbraw/zinc/66/37/66/837663766.db2.gz CWNWVGDXHCPAON-UHFFFAOYSA-N -1 3 389.832 3.696 20 0 GHADHM C[C@](CO)(NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000616812265 837707942 /nfs/dbraw/zinc/70/79/42/837707942.db2.gz DTOGBFYGIRNERH-LJQANCHMSA-N -1 3 399.384 3.897 20 0 GHADHM O=C(c1cc(F)ccc1[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176988532 837714137 /nfs/dbraw/zinc/71/41/37/837714137.db2.gz DBUNGJATEOSVQZ-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM COc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc(Br)c1[O-] ZINC000093903083 834709570 /nfs/dbraw/zinc/70/95/70/834709570.db2.gz AEPPNBXWYXXZJH-ONEGZZNKSA-N -1 3 387.237 3.524 20 0 GHADHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2C1 ZINC000579783542 834710897 /nfs/dbraw/zinc/71/08/97/834710897.db2.gz YTCUOMXSAOBUOT-UHFFFAOYSA-N -1 3 390.505 3.620 20 0 GHADHM CCc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c1[O-] ZINC000094106244 834724694 /nfs/dbraw/zinc/72/46/94/834724694.db2.gz OKDRUKKTTWPZPM-GOSISDBHSA-N -1 3 384.501 3.725 20 0 GHADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000510063953 834769233 /nfs/dbraw/zinc/76/92/33/834769233.db2.gz BZAYSTALKNAPDQ-NSHDSACASA-N -1 3 399.862 3.826 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)CCC(C)(C)C ZINC001211592532 834827895 /nfs/dbraw/zinc/82/78/95/834827895.db2.gz SINXGFIGJHCIFV-IBGZPJMESA-N -1 3 391.533 3.670 20 0 GHADHM COc1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c([O-])c1 ZINC000171226807 834874421 /nfs/dbraw/zinc/87/44/21/834874421.db2.gz IFTNOSIHKZCSRP-UHFFFAOYSA-N -1 3 380.419 3.820 20 0 GHADHM O=C([O-])[C@H](CNCc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000683170759 834904582 /nfs/dbraw/zinc/90/45/82/834904582.db2.gz CEQWFVCGUOSYET-KRWDZBQOSA-N -1 3 382.485 3.755 20 0 GHADHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c([O-])cc(F)cc1F ZINC000061637073 834910839 /nfs/dbraw/zinc/91/08/39/834910839.db2.gz KEVVZIUNXRVSDH-UHFFFAOYSA-N -1 3 378.444 3.514 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000610192047 834957544 /nfs/dbraw/zinc/95/75/44/834957544.db2.gz UBYSGDZEBPZGRT-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM CCC(CC)(CNCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000263074001 834990431 /nfs/dbraw/zinc/99/04/31/834990431.db2.gz QFIDLPSNPXDVRZ-UHFFFAOYSA-N -1 3 394.107 3.587 20 0 GHADHM COc1cccc(C(C)=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000176900337 835030450 /nfs/dbraw/zinc/03/04/50/835030450.db2.gz MHDHOVGFWJIBON-SDNWHVSQSA-N -1 3 375.428 3.796 20 0 GHADHM CSc1cccc(F)c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511302671 835111128 /nfs/dbraw/zinc/11/11/28/835111128.db2.gz SZMYLTIOQZWRGS-UHFFFAOYSA-N -1 3 380.242 3.632 20 0 GHADHM CSc1ccc(C)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511307681 835163792 /nfs/dbraw/zinc/16/37/92/835163792.db2.gz SANXMCYIQIESAV-UHFFFAOYSA-N -1 3 376.279 3.801 20 0 GHADHM CO[C@@H](c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1)c1ccc(F)cc1 ZINC000685684670 835333898 /nfs/dbraw/zinc/33/38/98/835333898.db2.gz BUBOIEVLCOZVOW-CQSZACIVSA-N -1 3 379.750 3.989 20 0 GHADHM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000254975751 835471483 /nfs/dbraw/zinc/47/14/83/835471483.db2.gz RZWCUKNJLUXSNZ-KHPPLWFESA-N -1 3 390.465 3.518 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000471183084 835501712 /nfs/dbraw/zinc/50/17/12/835501712.db2.gz PRSWDWQBJXAMEB-UHFFFAOYSA-N -1 3 377.404 3.753 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1cc(C(F)(F)F)ccc1F ZINC000547715536 835666997 /nfs/dbraw/zinc/66/69/97/835666997.db2.gz CBKSCYXMIBBDFH-ZDUSSCGKSA-N -1 3 393.333 3.786 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429946027 844083282 /nfs/dbraw/zinc/08/32/82/844083282.db2.gz JBAGOCIHILIITN-UHFFFAOYSA-N -1 3 387.281 3.963 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc2n[n-]nc21 ZINC000548881971 835772602 /nfs/dbraw/zinc/77/26/02/835772602.db2.gz CYJSHWGXSPSNOX-MJHDQNEOSA-N -1 3 378.329 3.792 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@@H]1C1CC1 ZINC000683262802 835789378 /nfs/dbraw/zinc/78/93/78/835789378.db2.gz YVZLFWUXRARUNI-CQSZACIVSA-N -1 3 395.684 3.959 20 0 GHADHM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000172649294 835972051 /nfs/dbraw/zinc/97/20/51/835972051.db2.gz JCKCWALEDRVOJS-QGZVFWFLSA-N -1 3 394.471 3.563 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CCC[C@H](F)C2)CC1 ZINC000584466614 836028453 /nfs/dbraw/zinc/02/84/53/836028453.db2.gz DQQPNURDPANJDX-LSDHHAIUSA-N -1 3 397.878 3.686 20 0 GHADHM CC(C)C[C@H](C(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000413660869 836032771 /nfs/dbraw/zinc/03/27/71/836032771.db2.gz WRSVJOGXVVMRHE-CQSZACIVSA-N -1 3 383.473 3.755 20 0 GHADHM CCCN(C(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)C(C)C ZINC000255028834 836046836 /nfs/dbraw/zinc/04/68/36/836046836.db2.gz BOYKAVJKFVIXAE-RGEXLXHISA-N -1 3 391.471 3.670 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000180284822 836119693 /nfs/dbraw/zinc/11/96/93/836119693.db2.gz RUTFWLWJDDJEMC-UHFFFAOYSA-N -1 3 391.276 3.605 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000154884318 836126180 /nfs/dbraw/zinc/12/61/80/836126180.db2.gz GJWHDTOBLUEBNB-UHFFFAOYSA-N -1 3 375.885 3.892 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000612381328 836142935 /nfs/dbraw/zinc/14/29/35/836142935.db2.gz BXTASESGFGGXFE-BMFZPTHFSA-N -1 3 376.884 3.659 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccsc3)no2)ccc1F ZINC000109475672 836326701 /nfs/dbraw/zinc/32/67/01/836326701.db2.gz VCPNBAHAJJATQI-UHFFFAOYSA-N -1 3 381.454 3.681 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC3CC3)ccc2C)cc1 ZINC000120059497 836383292 /nfs/dbraw/zinc/38/32/92/836383292.db2.gz GNOFZXBTNXCQSC-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1[O-] ZINC000584491778 836481897 /nfs/dbraw/zinc/48/18/97/836481897.db2.gz ZZCXIQCEXXOMLC-UHFFFAOYSA-N -1 3 396.424 3.628 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409715047 836533040 /nfs/dbraw/zinc/53/30/40/836533040.db2.gz ZCILOCBHKIRSRR-BEFAXECRSA-N -1 3 390.252 3.814 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)c(Cl)cc1F)c1cnccc1C(F)(F)F ZINC000433442583 844175273 /nfs/dbraw/zinc/17/52/73/844175273.db2.gz IABBIGJAKPFZNM-UHFFFAOYSA-N -1 3 386.729 3.511 20 0 GHADHM COc1cc(C(=O)N2CCC(c3c(F)cccc3F)CC2)cc(OC)c1[O-] ZINC000376331941 836604812 /nfs/dbraw/zinc/60/48/12/836604812.db2.gz AIPKQKDEMLMRFP-UHFFFAOYSA-N -1 3 377.387 3.707 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4oc(=O)[nH]c4c3)c2)n1 ZINC000376338857 836621828 /nfs/dbraw/zinc/62/18/28/836621828.db2.gz RTJHPTJLLQDINQ-UHFFFAOYSA-N -1 3 376.372 3.511 20 0 GHADHM CCOCCS(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000513059999 844192061 /nfs/dbraw/zinc/19/20/61/844192061.db2.gz XQFXMIKESRQNQK-UHFFFAOYSA-N -1 3 399.557 3.623 20 0 GHADHM CC(C)n1ncc2cc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)cnc21 ZINC000154802097 836827684 /nfs/dbraw/zinc/82/76/84/836827684.db2.gz MUWIURATIBOGJV-UHFFFAOYSA-N -1 3 378.476 3.813 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)c(C)o1 ZINC000175587596 836901191 /nfs/dbraw/zinc/90/11/91/836901191.db2.gz UDVLWJXOQUIMBI-UHFFFAOYSA-N -1 3 378.494 3.995 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1OC2CCC1CC2 ZINC000636405261 836935532 /nfs/dbraw/zinc/93/55/32/836935532.db2.gz UIVZMXANFKTGFA-UHFFFAOYSA-N -1 3 397.656 3.643 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(F)cc1F ZINC000175763646 836989471 /nfs/dbraw/zinc/98/94/71/836989471.db2.gz DZZJSNFIJXCVOZ-UHFFFAOYSA-N -1 3 389.807 3.889 20 0 GHADHM Cc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1C1CC1 ZINC000547815354 836990511 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Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1Cl ZINC000328662568 837269293 /nfs/dbraw/zinc/26/92/93/837269293.db2.gz AUCZDYINQLQSIN-VQISRLSMSA-N -1 3 376.305 3.538 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n[n-]2)o1 ZINC000177825429 837270041 /nfs/dbraw/zinc/27/00/41/837270041.db2.gz VRNHJFTXDDBOKQ-UHFFFAOYSA-N -1 3 383.408 3.972 20 0 GHADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000549778945 844261884 /nfs/dbraw/zinc/26/18/84/844261884.db2.gz CPLJREBDBFQXNH-OAHLLOKOSA-N -1 3 377.510 3.915 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncnc3sccc32)CC1 ZINC000052427567 844260848 /nfs/dbraw/zinc/26/08/48/844260848.db2.gz CRSXETFPBFPVBS-UHFFFAOYSA-N -1 3 388.880 3.905 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@H](C2CC2)C1 ZINC000685857423 837369487 /nfs/dbraw/zinc/36/94/87/837369487.db2.gz AUWYTZJDGWBICT-RBBKRZOGSA-N -1 3 392.499 3.902 20 0 GHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1NC(=O)c1ccccc1 ZINC000127886828 837936102 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Cn1cnnc1-c1cncc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000179984729 838553263 /nfs/dbraw/zinc/55/32/63/838553263.db2.gz OAJOTRHCXFUIPA-UHFFFAOYSA-N -1 3 387.399 3.627 20 0 GHADHM [O-]C(=Cc1nc(-c2ccc(OC3COC3)c(F)c2)no1)c1ccccc1Cl ZINC001211647569 838573646 /nfs/dbraw/zinc/57/36/46/838573646.db2.gz WBQPIRXYRLEZOZ-UHFFFAOYSA-N -1 3 388.782 3.732 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cccc3c2OC(F)(F)O3)C[C@H]1c1ccc(Cl)cc1 ZINC000659796890 838680640 /nfs/dbraw/zinc/68/06/40/838680640.db2.gz NUOVZZQSBXGCIE-LSDHHAIUSA-N -1 3 395.789 3.962 20 0 GHADHM O=C(Nc1ncccc1[O-])c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000180992880 838694833 /nfs/dbraw/zinc/69/48/33/838694833.db2.gz FBHFGHWDSUQEPW-UHFFFAOYSA-N -1 3 394.456 3.627 20 0 GHADHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000110229364 844356863 /nfs/dbraw/zinc/35/68/63/844356863.db2.gz GVPUIUISDQQATA-FQEVSTJZSA-N -1 3 394.515 3.752 20 0 GHADHM COc1ccccc1-c1noc(C2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)n1 ZINC000414640736 838725632 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GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(C)cc2)cc1Cl ZINC000580439992 839564780 /nfs/dbraw/zinc/56/47/80/839564780.db2.gz APSOFQRUNSDUFF-XJKSGUPXSA-N -1 3 396.871 3.580 20 0 GHADHM Cc1ccc(-c2csc(C[S@@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000580539603 839772746 /nfs/dbraw/zinc/77/27/46/839772746.db2.gz VTBCRFMMMJPQAS-SANMLTNESA-N -1 3 385.514 3.940 20 0 GHADHM O=C(NCc1cccc(COCc2ccccc2)c1)NN=c1ccc(Cl)n[n-]1 ZINC000125904624 839794336 /nfs/dbraw/zinc/79/43/36/839794336.db2.gz JYXDZJNLRKLHET-UHFFFAOYSA-N -1 3 397.866 3.673 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](CO)CC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000416780747 840150574 /nfs/dbraw/zinc/15/05/74/840150574.db2.gz RYYAVBQGHNSLQJ-GOSISDBHSA-N -1 3 384.480 3.610 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(C(C)(C)C)CC2)ccc1F ZINC000759854306 840206341 /nfs/dbraw/zinc/20/63/41/840206341.db2.gz GGWNHUHXKGLANS-UHFFFAOYSA-N -1 3 396.528 3.721 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 ZINC000500865952 844522366 /nfs/dbraw/zinc/52/23/66/844522366.db2.gz GBKJPKRVMGILEB-UHFFFAOYSA-N -1 3 395.503 3.940 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417019876 840373629 /nfs/dbraw/zinc/37/36/29/840373629.db2.gz RNHLIKIGWFTKLR-HNNXBMFYSA-N -1 3 380.492 3.995 20 0 GHADHM COc1cccc(C(NCc2cc(=O)[n-]c(C3CC3)n2)c2cccc(OC)c2)c1 ZINC000417025530 840383030 /nfs/dbraw/zinc/38/30/30/840383030.db2.gz RKPAVSKQOHNBLO-UHFFFAOYSA-N -1 3 391.471 3.956 20 0 GHADHM CN(C)c1ccc(CCC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000781882671 840485462 /nfs/dbraw/zinc/48/54/62/840485462.db2.gz WRZOHTNYDCYVFK-UHFFFAOYSA-N -1 3 395.272 3.835 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000660163829 840529907 /nfs/dbraw/zinc/52/99/07/840529907.db2.gz WPSFKQYPFNCNIW-IINYFYTJSA-N -1 3 393.814 3.759 20 0 GHADHM CC(C)(CO)[C@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000626226947 840608799 /nfs/dbraw/zinc/60/87/99/840608799.db2.gz DNESBAOXUZODAP-QGZVFWFLSA-N -1 3 392.293 3.687 20 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ZINC000660747416 841158108 /nfs/dbraw/zinc/15/81/08/841158108.db2.gz IHMSSVGLKWRYQJ-OAQYLSRUSA-N -1 3 396.535 3.753 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nnc(-c3cc4c(s3)CCCC4)o2)n1 ZINC000660747376 841158184 /nfs/dbraw/zinc/15/81/84/841158184.db2.gz QACJEIYCMDGCKD-UHFFFAOYSA-N -1 3 385.493 3.506 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2cc(Br)cnc2Cl)s1 ZINC000119864874 841231925 /nfs/dbraw/zinc/23/19/25/841231925.db2.gz VBNWPRNSILPYNE-UHFFFAOYSA-N -1 3 375.679 3.800 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1nc(Br)ccc1Br ZINC000189798392 841245483 /nfs/dbraw/zinc/24/54/83/841245483.db2.gz LMJXIUHVLCIRFR-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC2CC3(CCC3)C2)CC1 ZINC000651453126 841250986 /nfs/dbraw/zinc/25/09/86/841250986.db2.gz KJMLGVJGNOQNSN-UHFFFAOYSA-N -1 3 391.899 3.738 20 0 GHADHM C[C@H](F)CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000549523925 841267794 /nfs/dbraw/zinc/26/77/94/841267794.db2.gz BWKKXLZWXWCJCQ-VIFPVBQESA-N -1 3 393.303 3.599 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C ZINC000599446812 861195285 /nfs/dbraw/zinc/19/52/85/861195285.db2.gz FDEZZQFCAJSBAJ-UHFFFAOYSA-N -1 3 375.425 3.519 20 0 GHADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]Cc1noc2c1CCCC2 ZINC000651707221 841402648 /nfs/dbraw/zinc/40/26/48/841402648.db2.gz COTAZPDBTBRKSY-UHFFFAOYSA-N -1 3 381.306 3.541 20 0 GHADHM COCC[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000581471924 841459572 /nfs/dbraw/zinc/45/95/72/841459572.db2.gz MAUHHXNETDUOLP-INIZCTEOSA-N -1 3 392.381 3.674 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCCC(F)(F)CC1 ZINC000628634583 841531504 /nfs/dbraw/zinc/53/15/04/841531504.db2.gz AWTZUHKOPMEDDN-UHFFFAOYSA-N -1 3 385.208 3.552 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129420042 841656937 /nfs/dbraw/zinc/65/69/37/841656937.db2.gz BQZGYBMHVUNTQX-GOSISDBHSA-N -1 3 378.403 3.511 20 0 GHADHM C[C@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430612340 841697013 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O=C(NN=c1ccc(Cl)n[n-]1)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000156013013 842194138 /nfs/dbraw/zinc/19/41/38/842194138.db2.gz BKLMJQBCMFHDGA-KRWDZBQOSA-N -1 3 397.866 3.714 20 0 GHADHM O=C([N-]Nc1ccc(Br)cc1F)c1c(F)c(F)cc(F)c1F ZINC000156672149 842376102 /nfs/dbraw/zinc/37/61/02/842376102.db2.gz APOFFEMSULHXGL-UHFFFAOYSA-N -1 3 381.098 3.902 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000185756716 861304230 /nfs/dbraw/zinc/30/42/30/861304230.db2.gz JWQHWXRUMJJXEX-CXUHLZMHSA-N -1 3 378.819 3.836 20 0 GHADHM CN(C[C@@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652374350 842393378 /nfs/dbraw/zinc/39/33/78/842393378.db2.gz OSZACAYOEPQNRI-SJKOYZFVSA-N -1 3 381.350 3.603 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c(Cl)c1 ZINC000548282980 842398188 /nfs/dbraw/zinc/39/81/88/842398188.db2.gz GIYLJCZBBKBZTI-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM O=C([O-])CCN(Cc1ncc(-c2cccc(Br)c2)o1)CC1CC1 ZINC000652467026 842588424 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Cc1nc(S(=O)(=O)Cc2nc(-c3ccccc3F)no2)[n-]c1-c1ccccc1 ZINC000187115379 842899977 /nfs/dbraw/zinc/89/99/77/842899977.db2.gz CDGQGHWUQLNXJE-UHFFFAOYSA-N -1 3 398.419 3.548 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccccc3F)no2)nc1-c1ccccc1 ZINC000187115379 842899983 /nfs/dbraw/zinc/89/99/83/842899983.db2.gz CDGQGHWUQLNXJE-UHFFFAOYSA-N -1 3 398.419 3.548 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(C)cc2C)c1 ZINC000185446287 843015635 /nfs/dbraw/zinc/01/56/35/843015635.db2.gz BZCDSXDUNFHGKS-UHFFFAOYSA-N -1 3 393.443 3.530 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3C)n2)cc1F ZINC000471880599 843205810 /nfs/dbraw/zinc/20/58/10/843205810.db2.gz ASTAJBQZWDZTJC-CYBMUJFWSA-N -1 3 375.425 3.532 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000473244462 843239644 /nfs/dbraw/zinc/23/96/44/843239644.db2.gz RBWBEOOHTIKDKP-UHFFFAOYSA-N -1 3 390.362 3.578 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(F)c3C)n2)ccc1F ZINC000471896184 843303101 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COC(=O)C[C@@](C)(NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(OC)c1 ZINC000473190520 843478233 /nfs/dbraw/zinc/47/82/33/843478233.db2.gz URBYWIPZFUOLDI-HSZRJFAPSA-N -1 3 393.439 3.762 20 0 GHADHM CCC1CCC2(CC1)NC(=O)N(c1ccc(-c3cc(=O)[n-]c(C)n3)cc1)C2=O ZINC000349300031 861427931 /nfs/dbraw/zinc/42/79/31/861427931.db2.gz NDHKPYXIXMDNAE-UHFFFAOYSA-N -1 3 380.448 3.553 20 0 GHADHM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(F)c(Cl)cc1F ZINC001213939353 843548343 /nfs/dbraw/zinc/54/83/43/843548343.db2.gz LWNBDPFQMUVMCC-UHFFFAOYSA-N -1 3 397.628 3.764 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000603983708 843599876 /nfs/dbraw/zinc/59/98/76/843599876.db2.gz PVTBECOOZPAALB-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccccc3C(F)(F)F)CCC2)n1 ZINC000673697000 861435242 /nfs/dbraw/zinc/43/52/42/861435242.db2.gz NEZZCNITNCBXEK-UHFFFAOYSA-N -1 3 376.425 3.828 20 0 GHADHM O=C(CCC(=O)Nc1cccc([O-])c1F)Nc1nnc(C2CCCCC2)s1 ZINC000555617157 861435454 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C[C@@H]1CN(C(=O)c2ccc(NCc3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000513435995 845435051 /nfs/dbraw/zinc/43/50/51/845435051.db2.gz ZTBWHYDTQNIANG-BETUJISGSA-N -1 3 376.403 3.532 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000178748936 845468484 /nfs/dbraw/zinc/46/84/84/845468484.db2.gz PDLZQMRVGLQUDC-LBPRGKRZSA-N -1 3 384.320 3.528 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000431278840 845490310 /nfs/dbraw/zinc/49/03/10/845490310.db2.gz IEKODCLFGASRQF-BBRMVZONSA-N -1 3 391.464 3.713 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(-c3ccccc3C)nc2C)s1 ZINC000614276697 845502440 /nfs/dbraw/zinc/50/24/40/845502440.db2.gz PTCMKBLQDGGTRC-UHFFFAOYSA-N -1 3 388.474 3.707 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cc(Cl)ccc1Br ZINC000429872625 845613838 /nfs/dbraw/zinc/61/38/38/845613838.db2.gz OJEXFLKUFGKPIQ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000472141287 846119364 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393.274 3.994 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000731781298 861886147 /nfs/dbraw/zinc/88/61/47/861886147.db2.gz LTYIREOBCYTLHL-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM Cc1oc(CN(C)CCCc2nc(-c3ccc(C)c(F)c3)no2)cc1C(=O)[O-] ZINC000582790861 848382260 /nfs/dbraw/zinc/38/22/60/848382260.db2.gz ISFPMKQXUZYNMX-UHFFFAOYSA-N -1 3 387.411 3.848 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCC1=CCCCC1 ZINC000509162240 861927493 /nfs/dbraw/zinc/92/74/93/861927493.db2.gz CAVDOOHMEDYVHF-UHFFFAOYSA-N -1 3 393.443 3.613 20 0 GHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000511213340 848667784 /nfs/dbraw/zinc/66/77/84/848667784.db2.gz ACHVIGOWGUTYTC-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000582910947 848682989 /nfs/dbraw/zinc/68/29/89/848682989.db2.gz XURLNSFLEKIPII-HUUCEWRRSA-N -1 3 375.387 3.740 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3scnc3C)nc(=O)c2c1C ZINC000255565055 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398.438 3.918 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000504005335 849836752 /nfs/dbraw/zinc/83/67/52/849836752.db2.gz ZZAQPLCKDNLJDW-UHFFFAOYSA-N -1 3 389.390 3.910 20 0 GHADHM COc1ccc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cn2)cc1 ZINC000607571563 849879089 /nfs/dbraw/zinc/87/90/89/849879089.db2.gz OSIDEUXROHGOQN-UHFFFAOYSA-N -1 3 394.431 3.566 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c(=O)[n-]1 ZINC000504270247 849991295 /nfs/dbraw/zinc/99/12/95/849991295.db2.gz GGHJADZQDUKGED-UHFFFAOYSA-N -1 3 389.761 3.575 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(F)(F)F)cc1 ZINC000509599103 850094079 /nfs/dbraw/zinc/09/40/79/850094079.db2.gz FOAVIRHEVCXZMW-QGZVFWFLSA-N -1 3 376.334 3.570 20 0 GHADHM O=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000486796041 850103924 /nfs/dbraw/zinc/10/39/24/850103924.db2.gz JKXMJHSHMDBJED-UHFFFAOYSA-N -1 3 387.592 3.524 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Cl)c1 ZINC000439572621 850135162 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GHADHM Cc1ccc([C@H](CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908898623 850464320 /nfs/dbraw/zinc/46/43/20/850464320.db2.gz MFOWICQYGSQYHS-SFTDATJTSA-N -1 3 395.503 3.599 20 0 GHADHM COc1cc(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc(OC)c1[O-] ZINC000487230310 850584227 /nfs/dbraw/zinc/58/42/27/850584227.db2.gz MLCQVOYYXKDZSZ-NSHDSACASA-N -1 3 384.215 3.580 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cc(F)cc2n[n-]nc21 ZINC000505101376 850609558 /nfs/dbraw/zinc/60/95/58/850609558.db2.gz UDTCEPPNPGJHTC-UHFFFAOYSA-N -1 3 385.305 3.815 20 0 GHADHM CC(C)C1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000439990404 850670469 /nfs/dbraw/zinc/67/04/69/850670469.db2.gz PHLHAOAXLBSKNC-UHFFFAOYSA-N -1 3 390.480 3.793 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)CCC1Cc2ccccc2C1)c1ccco1 ZINC000519231463 850787123 /nfs/dbraw/zinc/78/71/23/850787123.db2.gz BJSXDRVXIZQVEG-FQEVSTJZSA-N -1 3 391.533 3.718 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1 ZINC000909791215 850791171 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CNC(=O)c1cccc(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436560554 852063100 /nfs/dbraw/zinc/06/31/00/852063100.db2.gz BZRIVAPVFSRRQQ-UHFFFAOYSA-N -1 3 390.439 3.517 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c([O-])c1 ZINC000436595053 852080670 /nfs/dbraw/zinc/08/06/70/852080670.db2.gz KDZFZNPVCVZZAE-OEIFXAAASA-N -1 3 378.472 3.525 20 0 GHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C1CC1 ZINC000436597979 852083244 /nfs/dbraw/zinc/08/32/44/852083244.db2.gz RTPJSEYAMICHND-UNMCSNQZSA-N -1 3 392.499 3.900 20 0 GHADHM CCCCn1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C(C)C ZINC000436596331 852083341 /nfs/dbraw/zinc/08/33/41/852083341.db2.gz PZOROKINDJFNHA-GOSISDBHSA-N -1 3 398.507 3.756 20 0 GHADHM Cc1nn(C)c(C)c1CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436598387 852086115 /nfs/dbraw/zinc/08/61/15/852086115.db2.gz TVLGQFHHOXEWRU-UHFFFAOYSA-N -1 3 377.488 3.500 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000436584980 852092943 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20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000517634416 852187462 /nfs/dbraw/zinc/18/74/62/852187462.db2.gz WYYKJVZGRBKBAK-UHFFFAOYSA-N -1 3 387.468 3.624 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000517634416 852187470 /nfs/dbraw/zinc/18/74/70/852187470.db2.gz WYYKJVZGRBKBAK-UHFFFAOYSA-N -1 3 387.468 3.624 20 0 GHADHM CN1C(=O)C[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489285125 852187505 /nfs/dbraw/zinc/18/75/05/852187505.db2.gz BSZGXHHCCPDTLJ-DOTOQJQBSA-N -1 3 397.233 3.540 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c([O-])c2O1 ZINC000436679724 852187766 /nfs/dbraw/zinc/18/77/66/852187766.db2.gz GWLPINLWGWEHOR-QGZVFWFLSA-N -1 3 383.444 3.916 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(OC(C)C)cc3)no2)c([O-])c1 ZINC000436690458 852201765 /nfs/dbraw/zinc/20/17/65/852201765.db2.gz QOIDJQIKGFJIKD-UHFFFAOYSA-N -1 3 381.432 3.510 20 0 GHADHM COc1cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc(OC)c1[O-] ZINC000436692997 852202357 /nfs/dbraw/zinc/20/23/57/852202357.db2.gz ZQPATDGAKBQKEZ-UHFFFAOYSA-N -1 3 398.415 3.684 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000426673305 852202614 /nfs/dbraw/zinc/20/26/14/852202614.db2.gz FLILVJMABGRGDM-KRWDZBQOSA-N -1 3 382.485 3.852 20 0 GHADHM COc1cc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)ccc1OC(C)C ZINC000436691271 852202801 /nfs/dbraw/zinc/20/28/01/852202801.db2.gz SKKYUVUXTCTXKC-UHFFFAOYSA-N -1 3 386.404 3.922 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c([O-])c1 ZINC000180779502 862335377 /nfs/dbraw/zinc/33/53/77/862335377.db2.gz JQYWZLWXCXVABU-UHFFFAOYSA-N -1 3 381.379 3.611 20 0 GHADHM CCCCC1CCC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436723803 852249543 /nfs/dbraw/zinc/24/95/43/852249543.db2.gz PDNIJFDOQHTAOZ-UHFFFAOYSA-N -1 3 387.524 3.609 20 0 GHADHM CC(C)Oc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436738042 852254989 /nfs/dbraw/zinc/25/49/89/852254989.db2.gz KQPZFUZCGVCBMA-UHFFFAOYSA-N -1 3 388.895 3.791 20 0 GHADHM CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436757983 852276329 /nfs/dbraw/zinc/27/63/29/852276329.db2.gz JZZBNWASJCSZLJ-UHFFFAOYSA-N -1 3 398.440 3.808 20 0 GHADHM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436746728 852285843 /nfs/dbraw/zinc/28/58/43/852285843.db2.gz ZKQJQVQEXYFRES-UHFFFAOYSA-N -1 3 383.423 3.582 20 0 GHADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436772577 852305607 /nfs/dbraw/zinc/30/56/07/852305607.db2.gz OGQSSJCNPPYJJR-CYBMUJFWSA-N -1 3 391.489 3.639 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(OC)cc3c2O[C@H](C)C3)cc1 ZINC000426734901 852330910 /nfs/dbraw/zinc/33/09/10/852330910.db2.gz BWBVCYVSDWYDKJ-VLIAUNLRSA-N -1 3 385.460 3.723 20 0 GHADHM COc1cccc(C2(CNC(=O)c3cc(NC(C)=O)ccc3[O-])CCCC2)c1 ZINC000436788184 852341378 /nfs/dbraw/zinc/34/13/78/852341378.db2.gz UVVVIWTVCKXZAQ-UHFFFAOYSA-N -1 3 382.460 3.601 20 0 GHADHM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436798886 852355515 /nfs/dbraw/zinc/35/55/15/852355515.db2.gz NEKTZHQEWMXVSA-WOJBJXKFSA-N -1 3 394.515 3.796 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCCC(F)(F)F)c1 ZINC000436820083 852359854 /nfs/dbraw/zinc/35/98/54/852359854.db2.gz FYBOMXDXAAKYMU-SNVBAGLBSA-N -1 3 399.369 3.792 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c([O-])c1 ZINC000436802100 852360622 /nfs/dbraw/zinc/36/06/22/852360622.db2.gz GSXKTEQBNXHKCQ-KRWDZBQOSA-N -1 3 383.448 3.507 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000436808098 852367129 /nfs/dbraw/zinc/36/71/29/852367129.db2.gz KPDACQCEUYUUPD-AWEZNQCLSA-N -1 3 391.265 3.577 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c([O-])c1 ZINC000436811824 852371433 /nfs/dbraw/zinc/37/14/33/852371433.db2.gz KMIRLLWXUDBJAO-FQEVSTJZSA-N -1 3 394.515 3.698 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000436828960 852377162 /nfs/dbraw/zinc/37/71/62/852377162.db2.gz KNILGZPZXWTPNG-SFTDATJTSA-N -1 3 392.499 3.924 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Oc3cnccn3)cc2)c1 ZINC000426776577 852382012 /nfs/dbraw/zinc/38/20/12/852382012.db2.gz YZCRJWKFSCCRKU-IBGZPJMESA-N -1 3 379.416 3.583 20 0 GHADHM C[C@@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1 ZINC000473849465 852384728 /nfs/dbraw/zinc/38/47/28/852384728.db2.gz KHDGBBKPWPBXSG-NHYWBVRUSA-N -1 3 378.270 3.578 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000466567748 862351483 /nfs/dbraw/zinc/35/14/83/862351483.db2.gz QKOZRTAGSXAKBW-AEFFLSMTSA-N -1 3 383.897 3.878 20 0 GHADHM CCOc1cc2c(cc1NC(=O)c1ccc3c(c1[O-])OC(C)(C)C3)OCCO2 ZINC000436823588 852392381 /nfs/dbraw/zinc/39/23/81/852392381.db2.gz VTKKAZBNOUMURW-UHFFFAOYSA-N -1 3 385.416 3.528 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[O-] ZINC000436854338 852400725 /nfs/dbraw/zinc/40/07/25/852400725.db2.gz UITIRELKNKOHOC-UHFFFAOYSA-N -1 3 392.377 3.576 20 0 GHADHM COc1cc(C[C@@H](NCc2csc(-c3ccccc3)n2)C(=O)[O-])cc(OC)c1 ZINC000426792672 852402441 /nfs/dbraw/zinc/40/24/41/852402441.db2.gz KDAZMAYSMQMUEM-LJQANCHMSA-N -1 3 398.484 3.613 20 0 GHADHM Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cn1 ZINC000436909188 852474060 /nfs/dbraw/zinc/47/40/60/852474060.db2.gz OVZIJRRYFZWDTQ-UHFFFAOYSA-N -1 3 381.407 3.898 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c1 ZINC000436896472 852482616 /nfs/dbraw/zinc/48/26/16/852482616.db2.gz YYFWLMGXRIPRKQ-UHFFFAOYSA-N -1 3 377.356 3.963 20 0 GHADHM O=C(Nc1cccc2c1OCC(=O)N2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436929996 852511644 /nfs/dbraw/zinc/51/16/44/852511644.db2.gz GMJLVTHTNMHEAH-UHFFFAOYSA-N -1 3 388.423 3.761 20 0 GHADHM Cc1cc(C)c(C[C@@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)C(F)(F)F)c(C)c1 ZINC000473850333 852517205 /nfs/dbraw/zinc/51/72/05/852517205.db2.gz OAQXOAYVCLCGRE-RDJZCZTQSA-N -1 3 395.425 3.968 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436960684 852531650 /nfs/dbraw/zinc/53/16/50/852531650.db2.gz HUKUCUHOIGFJOV-IBGZPJMESA-N -1 3 384.451 3.713 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4ccc(Cl)cc4C(=O)[O-])C3)CC2=O)cc1 ZINC001142657114 862366930 /nfs/dbraw/zinc/36/69/30/862366930.db2.gz PGDGBUICPDJJRW-JOCHJYFZSA-N -1 3 398.890 3.976 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000436969342 852540044 /nfs/dbraw/zinc/54/00/44/852540044.db2.gz ZLTKEAPEERCKAI-FKIZINRSSA-N -1 3 391.427 3.604 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1Cl ZINC000516417903 852540852 /nfs/dbraw/zinc/54/08/52/852540852.db2.gz LPRZDPWSNILQGA-UHFFFAOYSA-N -1 3 399.896 3.791 20 0 GHADHM Cc1nc(-c2ccccc2)c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])s1 ZINC000436955309 852544409 /nfs/dbraw/zinc/54/44/09/852544409.db2.gz DJHCVTODOUPHSV-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2cc(F)cc3c2OCOC3)c([O-])c1 ZINC000436971191 852552093 /nfs/dbraw/zinc/55/20/93/852552093.db2.gz IRPMAEGPYBWGIF-UHFFFAOYSA-N -1 3 389.423 3.549 20 0 GHADHM COCCN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(OC)c(OC)c1 ZINC000436972773 852556462 /nfs/dbraw/zinc/55/64/62/852556462.db2.gz UZUIAVSMIBBVHN-UHFFFAOYSA-N -1 3 385.460 3.581 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(CC(C)C)CCC2)c1 ZINC000436976319 852561688 /nfs/dbraw/zinc/56/16/88/852561688.db2.gz PENYJRROFLDFCO-UHFFFAOYSA-N -1 3 385.464 3.887 20 0 GHADHM CCN(CCC1CC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436976068 852562320 /nfs/dbraw/zinc/56/23/20/852562320.db2.gz ANNRGFBKSOHQMN-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM CC[C@]1(C)CCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436992201 852581121 /nfs/dbraw/zinc/58/11/21/852581121.db2.gz XZJIDRBLBJDTKN-HXUWFJFHSA-N -1 3 387.505 3.601 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccc(O)cc1[O-] ZINC000437006552 852604335 /nfs/dbraw/zinc/60/43/35/852604335.db2.gz YBFWXECZRPJEMQ-XYPYZODXSA-N -1 3 380.213 3.675 20 0 GHADHM CCc1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C ZINC000437007828 852604473 /nfs/dbraw/zinc/60/44/73/852604473.db2.gz XCPMAMWBMPKWTH-UHFFFAOYSA-N -1 3 381.476 3.689 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000506311387 852670788 /nfs/dbraw/zinc/67/07/88/852670788.db2.gz DFXXQLDEQHBRAE-RDJZCZTQSA-N -1 3 387.553 3.650 20 0 GHADHM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000438753948 852820900 /nfs/dbraw/zinc/82/09/00/852820900.db2.gz JTWUVYXMHKWOEI-UHFFFAOYSA-N -1 3 383.469 3.867 20 0 GHADHM O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1cn[n-]n1 ZINC000518160999 852951047 /nfs/dbraw/zinc/95/10/47/852951047.db2.gz GDUQFWYHHOJZDZ-HNNXBMFYSA-N -1 3 379.222 3.964 20 0 GHADHM Cc1ccc(-c2cnc(CN3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)o2)cc1 ZINC000289391604 852997228 /nfs/dbraw/zinc/99/72/28/852997228.db2.gz DPFDKRXSSYILQV-AWEZNQCLSA-N -1 3 381.398 3.541 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3occc3C(C)C)no2)ccc1F ZINC000426203200 853008500 /nfs/dbraw/zinc/00/85/00/853008500.db2.gz YPCWXIJJRMEFCH-UHFFFAOYSA-N -1 3 393.440 3.946 20 0 GHADHM CCc1ccc(CC)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000438849896 853008695 /nfs/dbraw/zinc/00/86/95/853008695.db2.gz LAIFMJUVFCSOJY-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1 ZINC000507583992 853070861 /nfs/dbraw/zinc/07/08/61/853070861.db2.gz QJANQTIMAOBZDF-UHFFFAOYSA-N -1 3 375.446 3.548 20 0 GHADHM O=S(=O)([N-]c1ccc(OCCCO)cc1)c1ccc(-c2ccccc2)cc1 ZINC000507628898 853124623 /nfs/dbraw/zinc/12/46/23/853124623.db2.gz HHIFEKUJNIRUGN-UHFFFAOYSA-N -1 3 383.469 3.916 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCS2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000438981699 853157458 /nfs/dbraw/zinc/15/74/58/853157458.db2.gz CFLBIMSACHEUCV-MRXNPFEDSA-N -1 3 394.493 3.769 20 0 GHADHM C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc2c(c1)CCCC2 ZINC000913297945 853208554 /nfs/dbraw/zinc/20/85/54/853208554.db2.gz AZUCRCGGHSZRHI-AWEZNQCLSA-N -1 3 393.443 3.583 20 0 GHADHM C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000913297945 853208564 /nfs/dbraw/zinc/20/85/64/853208564.db2.gz AZUCRCGGHSZRHI-AWEZNQCLSA-N -1 3 393.443 3.583 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccc(OC(F)F)cc1 ZINC000913299303 853209887 /nfs/dbraw/zinc/20/98/87/853209887.db2.gz ZGSZRJYOYYIJQE-JTQLQIEISA-N -1 3 376.315 3.699 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccc(OC(F)F)cc1 ZINC000913299303 853209893 /nfs/dbraw/zinc/20/98/93/853209893.db2.gz ZGSZRJYOYYIJQE-JTQLQIEISA-N -1 3 376.315 3.699 20 0 GHADHM CSc1ccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000437538688 853241721 /nfs/dbraw/zinc/24/17/21/853241721.db2.gz RRMHIMRIEMNVRS-UHFFFAOYSA-N -1 3 395.322 3.919 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439127816 853321913 /nfs/dbraw/zinc/32/19/13/853321913.db2.gz LEFBMXZUHZZUEC-QGZVFWFLSA-N -1 3 391.471 3.837 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nn1 ZINC000517068115 853328102 /nfs/dbraw/zinc/32/81/02/853328102.db2.gz JODHINDWWUHEGM-CQSZACIVSA-N -1 3 382.493 3.605 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC000519701313 853384749 /nfs/dbraw/zinc/38/47/49/853384749.db2.gz HVLYQBLGXGEGHU-QFIPXVFZSA-N -1 3 399.487 3.990 20 0 GHADHM Cc1cc(Br)c(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1Cl ZINC000491004929 853385797 /nfs/dbraw/zinc/38/57/97/853385797.db2.gz JZTPQMBLNGIGRF-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cc(Cl)cc(F)c1Br ZINC000491016985 853398132 /nfs/dbraw/zinc/39/81/32/853398132.db2.gz DEAPJNQKFIJPCT-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000437702435 853438666 /nfs/dbraw/zinc/43/86/66/853438666.db2.gz ICXJWXPILGTQSO-VIFPVBQESA-N -1 3 386.764 3.913 20 0 GHADHM CCc1nccn1[C@@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000518521487 853464897 /nfs/dbraw/zinc/46/48/97/853464897.db2.gz COHDIWBZKWDLLO-PKOBYXMFSA-N -1 3 376.508 3.672 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000506552794 853572032 /nfs/dbraw/zinc/57/20/32/853572032.db2.gz OHJBPZPANWWMSQ-UHFFFAOYSA-N -1 3 376.261 3.949 20 0 GHADHM CCC1CCC(NCc2nc3c4ccccc4oc3c(=O)[n-]2)(C(=O)OC)CC1 ZINC000440913261 853741535 /nfs/dbraw/zinc/74/15/35/853741535.db2.gz QBKVXOAYIAWPKO-UHFFFAOYSA-N -1 3 383.448 3.683 20 0 GHADHM CN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163666369 862515477 /nfs/dbraw/zinc/51/54/77/862515477.db2.gz HVBNWXCNXQTJQK-UHFFFAOYSA-N -1 3 385.208 3.775 20 0 GHADHM CC(C)n1ccc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000520241686 853985234 /nfs/dbraw/zinc/98/52/34/853985234.db2.gz HDAQRANWUZBTJA-DLBZAZTESA-N -1 3 392.297 3.527 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1cc(Br)ccc1F ZINC000520388254 854159764 /nfs/dbraw/zinc/15/97/64/854159764.db2.gz KFOBIIWDIMQJAX-GFCCVEGCSA-N -1 3 384.270 3.597 20 0 GHADHM C[C@@H](c1cccnc1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112632185 854279041 /nfs/dbraw/zinc/27/90/41/854279041.db2.gz WZGHURLFBVNTFJ-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM CC1CCC(C)(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000112633103 854280075 /nfs/dbraw/zinc/28/00/75/854280075.db2.gz NVZIUDINSDQDPF-UHFFFAOYSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)sc1Cl ZINC000473923453 854282540 /nfs/dbraw/zinc/28/25/40/854282540.db2.gz ZHRDQVAWFCGEOP-UHFFFAOYSA-N -1 3 385.938 3.737 20 0 GHADHM CC(C)[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000045150571 854344366 /nfs/dbraw/zinc/34/43/66/854344366.db2.gz CPWHPJBCGCFHKN-MRXNPFEDSA-N -1 3 390.281 3.790 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(-c3cnn(C)c3)c2)sc1Cl ZINC000473946062 854371443 /nfs/dbraw/zinc/37/14/43/854371443.db2.gz BXLMUVHKEVAWEE-UHFFFAOYSA-N -1 3 381.910 3.589 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1Br)N[C@H](c1ccccc1)C1CC1 ZINC000045348398 854515036 /nfs/dbraw/zinc/51/50/36/854515036.db2.gz CRCUZVCZKPOIBO-MRXNPFEDSA-N -1 3 388.265 3.544 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000068578919 854600656 /nfs/dbraw/zinc/60/06/56/854600656.db2.gz JTWFYIBNDIJFNK-KRWDZBQOSA-N -1 3 395.415 3.682 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1noc2c1CCCC2 ZINC000589165882 854710977 /nfs/dbraw/zinc/71/09/77/854710977.db2.gz JUPZYKIVUPKARB-UHFFFAOYSA-N -1 3 377.231 3.925 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1Cl ZINC000330807876 854755191 /nfs/dbraw/zinc/75/51/91/854755191.db2.gz AOGGHQIXVXQYIQ-AWEZNQCLSA-N -1 3 398.834 3.698 20 0 GHADHM CN(Cc1ccccc1F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112626110 854763968 /nfs/dbraw/zinc/76/39/68/854763968.db2.gz MCQCEHFJGIFSPN-UHFFFAOYSA-N -1 3 389.224 3.702 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCOCC1 ZINC000330978924 854789221 /nfs/dbraw/zinc/78/92/21/854789221.db2.gz INKVJQMGUNUIGZ-ZDUSSCGKSA-N -1 3 396.734 3.586 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000520448867 854881652 /nfs/dbraw/zinc/88/16/52/854881652.db2.gz VTSVKJXSAWIFTM-OCCSQVGLSA-N -1 3 377.872 3.694 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000624066650 862621086 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COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c(C)c1C ZINC000604971473 862648440 /nfs/dbraw/zinc/64/84/40/862648440.db2.gz RIWPTEHLZUABNZ-UHFFFAOYSA-N -1 3 391.493 3.643 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CCCC1)c1cc(F)ccc1OC(F)F ZINC000625622942 862649134 /nfs/dbraw/zinc/64/91/34/862649134.db2.gz SNJBPCUFQIDDEV-UHFFFAOYSA-N -1 3 391.333 3.828 20 0 GHADHM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000004879141 855188183 /nfs/dbraw/zinc/18/81/83/855188183.db2.gz GEEVLBVQLHHXSK-UHFFFAOYSA-N -1 3 390.505 3.724 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1cnc(-c3cccnc3)s1)OCCO2 ZINC000536380230 855208544 /nfs/dbraw/zinc/20/85/44/855208544.db2.gz XGKXGJXADLNNES-UHFFFAOYSA-N -1 3 385.470 3.951 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N(C1CC1)C1CC1 ZINC000628815028 855240575 /nfs/dbraw/zinc/24/05/75/855240575.db2.gz PFJUOFJDLBHXJS-UHFFFAOYSA-N -1 3 381.657 3.711 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590614265 855508850 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Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2F)c1Cl ZINC000614606332 855743154 /nfs/dbraw/zinc/74/31/54/855743154.db2.gz LFSKFLBIFLIXRG-UHFFFAOYSA-N -1 3 378.252 3.798 20 0 GHADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1CNC1(c2nn[n-]n2)CCCC1 ZINC000542782590 855775331 /nfs/dbraw/zinc/77/53/31/855775331.db2.gz HNNLUQMJZAQWPF-UHFFFAOYSA-N -1 3 399.502 3.920 20 0 GHADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1CNC1(c2nnn[n-]2)CCCC1 ZINC000542782590 855775337 /nfs/dbraw/zinc/77/53/37/855775337.db2.gz HNNLUQMJZAQWPF-UHFFFAOYSA-N -1 3 399.502 3.920 20 0 GHADHM CCOC(=O)c1sc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)nc1C ZINC000765860827 855819830 /nfs/dbraw/zinc/81/98/30/855819830.db2.gz QMFKESCPUPFBJM-JTQLQIEISA-N -1 3 386.395 3.737 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000181035333 862726912 /nfs/dbraw/zinc/72/69/12/862726912.db2.gz PTYNWFDWUYLSDQ-IEBWSBKVSA-N -1 3 386.810 3.581 20 0 GHADHM O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591423810 855970781 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Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190799006 856212866 /nfs/dbraw/zinc/21/28/66/856212866.db2.gz HKCJXWOGDRCZKR-UHFFFAOYSA-N -1 3 389.446 3.762 20 0 GHADHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc([O-])cc(Br)c1 ZINC000624302696 856245916 /nfs/dbraw/zinc/24/59/16/856245916.db2.gz HFIYEQQLHZMNSM-KRWDZBQOSA-N -1 3 392.249 3.965 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c([O-])c1 ZINC000032675725 856249038 /nfs/dbraw/zinc/24/90/38/856249038.db2.gz ACVANLKPALBZNC-HNNXBMFYSA-N -1 3 378.428 3.866 20 0 GHADHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1cc(-c2ccccc2)no1 ZINC000033159045 856279995 /nfs/dbraw/zinc/27/99/95/856279995.db2.gz JDTHBTXREULLHH-UHFFFAOYSA-N -1 3 379.397 3.975 20 0 GHADHM Cc1cccc(CN2CCN(Cn3c(=S)[n-]nc3Cc3cccs3)CC2)c1 ZINC000058205054 856281591 /nfs/dbraw/zinc/28/15/91/856281591.db2.gz CKWDZBSTJYNFHU-UHFFFAOYSA-N -1 3 399.589 3.677 20 0 GHADHM CS[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000033245827 856287808 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GHADHM CCOC(=O)COc1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1 ZINC000485354738 856405700 /nfs/dbraw/zinc/40/57/00/856405700.db2.gz HXELVBQMAVCCFY-UHFFFAOYSA-N -1 3 393.226 3.839 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4ccccn43)cc2)c(C)c1 ZINC000110095661 856446539 /nfs/dbraw/zinc/44/65/39/856446539.db2.gz YGKDCBLLIVEUHK-UHFFFAOYSA-N -1 3 392.484 3.738 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000195538069 856453282 /nfs/dbraw/zinc/45/32/82/856453282.db2.gz FGHXUGSSJUQJDN-OAHLLOKOSA-N -1 3 379.243 3.942 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000485394286 856454861 /nfs/dbraw/zinc/45/48/61/856454861.db2.gz UYYCOPKZMVERQB-UHFFFAOYSA-N -1 3 379.457 3.773 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000128766016 856506281 /nfs/dbraw/zinc/50/62/81/856506281.db2.gz UYGAFKGGBDWBTB-UHFFFAOYSA-N -1 3 383.411 3.658 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000128766016 856506292 /nfs/dbraw/zinc/50/62/92/856506292.db2.gz UYGAFKGGBDWBTB-UHFFFAOYSA-N -1 3 383.411 3.658 20 0 GHADHM CCCOc1cc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC ZINC000905751327 856508555 /nfs/dbraw/zinc/50/85/55/856508555.db2.gz VNSGGLZNBYADRE-AWEZNQCLSA-N -1 3 376.478 3.628 20 0 GHADHM Cn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1C(F)F ZINC000181259860 862814564 /nfs/dbraw/zinc/81/45/64/862814564.db2.gz XINHHTHNVDZNTE-UHFFFAOYSA-N -1 3 395.416 3.603 20 0 GHADHM O=S(=O)([N-]c1cc(I)ccc1Cl)c1ccsc1 ZINC000507938221 856690082 /nfs/dbraw/zinc/69/00/82/856690082.db2.gz VEQZEQZWEOVJMB-UHFFFAOYSA-N -1 3 399.662 3.807 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(OC(F)(F)F)cc1)c2=O ZINC000507971814 856751670 /nfs/dbraw/zinc/75/16/70/856751670.db2.gz SWZBYUQQIKRWAQ-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C2)C1 ZINC000542915788 856782014 /nfs/dbraw/zinc/78/20/14/856782014.db2.gz RYXSOUYEOJGTEI-CWTRNNRKSA-N -1 3 389.293 3.943 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(SCC)nc2)c(C(=O)OCC)[n-]1 ZINC000485714094 856981002 /nfs/dbraw/zinc/98/10/02/856981002.db2.gz XWKBJWGEALMYQR-UHFFFAOYSA-N -1 3 376.482 3.688 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccsc1 ZINC000508206852 857043163 /nfs/dbraw/zinc/04/31/63/857043163.db2.gz QFVWLADLWNQXQM-LLVKDONJSA-N -1 3 387.351 3.931 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(F)ccc2N2CCC(C)CC2)c(=O)[n-]1 ZINC000906386364 857071549 /nfs/dbraw/zinc/07/15/49/857071549.db2.gz WBNVAXOJIZHKNR-UHFFFAOYSA-N -1 3 386.471 3.746 20 0 GHADHM CCc1cc(=O)[n-]c(CN(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1 ZINC000675182862 857076689 /nfs/dbraw/zinc/07/66/89/857076689.db2.gz XPXCKBFLOBVWCF-UHFFFAOYSA-N -1 3 393.487 3.964 20 0 GHADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592815505 857098874 /nfs/dbraw/zinc/09/88/74/857098874.db2.gz BCVKSXBODYYBAN-HOCLYGCPSA-N -1 3 379.472 3.680 20 0 GHADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCC1 ZINC001128971928 857123244 /nfs/dbraw/zinc/12/32/44/857123244.db2.gz WLAIFWLAIQCGHX-INIZCTEOSA-N -1 3 384.517 3.601 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cc3n(n2)CCCC3=O)s1)c1ccccc1 ZINC000906606718 857196573 /nfs/dbraw/zinc/19/65/73/857196573.db2.gz QAJKJNZFGQCOFX-ZDUSSCGKSA-N -1 3 381.461 3.505 20 0 GHADHM O=S(=O)([N-]C/C=C\c1cccnc1)c1ccc(Cl)cc1C(F)(F)F ZINC001212449980 857237493 /nfs/dbraw/zinc/23/74/93/857237493.db2.gz GIQBCRRDWOZPLH-RQOWECAXSA-N -1 3 376.787 3.746 20 0 GHADHM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000671711152 857248022 /nfs/dbraw/zinc/24/80/22/857248022.db2.gz VIIGZYWPAQPTKB-JOYOIKCWSA-N -1 3 399.394 3.809 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000058348547 857287742 /nfs/dbraw/zinc/28/77/42/857287742.db2.gz NOMOJGSGSYSPSE-AWEZNQCLSA-N -1 3 380.444 3.817 20 0 GHADHM COc1ccc2c(c1)N(C(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CCCC2 ZINC000520859627 857311637 /nfs/dbraw/zinc/31/16/37/857311637.db2.gz ABLCAMRCVCQGBX-UHFFFAOYSA-N -1 3 380.419 3.967 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC3CCC(C)(C)CC3)c2)[n-]1 ZINC001270989793 857322269 /nfs/dbraw/zinc/32/22/69/857322269.db2.gz GKVHZEMMNDPWRI-UHFFFAOYSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC3CCC(C)(C)CC3)c2)n[n-]1 ZINC001270989793 857322274 /nfs/dbraw/zinc/32/22/74/857322274.db2.gz GKVHZEMMNDPWRI-UHFFFAOYSA-N -1 3 398.507 3.871 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000672428687 857329154 /nfs/dbraw/zinc/32/91/54/857329154.db2.gz WWOWDTZWHAMEPC-NSHDSACASA-N -1 3 394.707 3.701 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOC[C@@H]2c2ccccc2)s1 ZINC000906855934 857351093 /nfs/dbraw/zinc/35/10/93/857351093.db2.gz OPRRZHGYDVBTCH-CQSZACIVSA-N -1 3 389.477 3.704 20 0 GHADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1F ZINC000605291799 862902966 /nfs/dbraw/zinc/90/29/66/862902966.db2.gz WJNKFQYPJSPTLD-AWEZNQCLSA-N -1 3 381.425 3.547 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccnc1OC(C)C ZINC000675453069 857382884 /nfs/dbraw/zinc/38/28/84/857382884.db2.gz DWKMGINDBWRFHJ-UHFFFAOYSA-N -1 3 378.425 3.541 20 0 GHADHM O=C(N[C@@H]1CCCC1(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000672495313 857403928 /nfs/dbraw/zinc/40/39/28/857403928.db2.gz MQRHBEDHPNYRED-MRXNPFEDSA-N -1 3 398.406 3.544 20 0 GHADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000542984714 857445863 /nfs/dbraw/zinc/44/58/63/857445863.db2.gz NILRBVZNAPJICD-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c2cccc(Br)c2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000542984714 857445869 /nfs/dbraw/zinc/44/58/69/857445869.db2.gz NILRBVZNAPJICD-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc(-c3ccco3)cs1)c2=O ZINC000486237645 857577448 /nfs/dbraw/zinc/57/74/48/857577448.db2.gz YKKQAUKAOKBNJM-UHFFFAOYSA-N -1 3 385.376 3.645 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/C(=O)OCC)cc2)cc1 ZINC000029047628 857585109 /nfs/dbraw/zinc/58/51/09/857585109.db2.gz LKZJGDBZDGOXJB-VGOFMYFVSA-N -1 3 389.473 3.853 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000486269763 857607916 /nfs/dbraw/zinc/60/79/16/857607916.db2.gz VSHWYVASIDENOC-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM CCC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccn1 ZINC000675816841 857623335 /nfs/dbraw/zinc/62/33/35/857623335.db2.gz LVLBINDUPADGNF-OAHLLOKOSA-N -1 3 378.270 3.890 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2nc3cc(Br)ccn3n2)c(Cl)c1 ZINC001129121733 857662840 /nfs/dbraw/zinc/66/28/40/857662840.db2.gz UUBYTCALXXPVBR-UHFFFAOYSA-N -1 3 399.607 3.545 20 0 GHADHM COC(C)(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000486367134 857683479 /nfs/dbraw/zinc/68/34/79/857683479.db2.gz PRCSXOBQAQLHII-UHFFFAOYSA-N -1 3 394.468 3.689 20 0 GHADHM [O-]c1c(F)cc(F)cc1Nc1ncc(Br)nc1N1CCCCC1 ZINC001212479939 857755032 /nfs/dbraw/zinc/75/50/32/857755032.db2.gz ZYSYGQRKJAWDKF-UHFFFAOYSA-N -1 3 385.212 3.957 20 0 GHADHM C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000733444836 862947218 /nfs/dbraw/zinc/94/72/18/862947218.db2.gz NQFWXBIPHQFDFN-IIBYNOLFSA-N -1 3 390.439 3.953 20 0 GHADHM Cc1nc([N-]C(=O)c2nnc(C3CC3)o2)sc1Cc1c(F)cccc1F ZINC000907796366 857783202 /nfs/dbraw/zinc/78/32/02/857783202.db2.gz LRQGCHKISYJGSE-UHFFFAOYSA-N -1 3 376.388 3.833 20 0 GHADHM CCC1CCC(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000065819276 857806535 /nfs/dbraw/zinc/80/65/35/857806535.db2.gz HDTTYLGCFOJXRD-UHFFFAOYSA-N -1 3 397.541 3.795 20 0 GHADHM COc1cccc(C[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482332035 862955203 /nfs/dbraw/zinc/95/52/03/862955203.db2.gz KXYCRQSMGMSGEB-LBPRGKRZSA-N -1 3 393.281 3.594 20 0 GHADHM CCN(Cc1cccs1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000065753173 857845142 /nfs/dbraw/zinc/84/51/42/857845142.db2.gz OYXBWFQHNSMBFT-UHFFFAOYSA-N -1 3 397.522 3.572 20 0 GHADHM Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(C)c1Cl ZINC000442440028 857849361 /nfs/dbraw/zinc/84/93/61/857849361.db2.gz JZUKYLHQPAIGEM-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1cccc(Cl)c1Cl ZINC000065795956 857851926 /nfs/dbraw/zinc/85/19/26/857851926.db2.gz VBBFVNLBCROMOJ-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccccc1COc1ccccc1 ZINC000065817723 857858250 /nfs/dbraw/zinc/85/82/50/857858250.db2.gz TVBBDVPQINJERX-UHFFFAOYSA-N -1 3 387.395 3.793 20 0 GHADHM COc1cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)ccc1C ZINC000521405266 857940946 /nfs/dbraw/zinc/94/09/46/857940946.db2.gz XUJJCZGLVIQTKW-UHFFFAOYSA-N -1 3 378.432 3.796 20 0 GHADHM Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cc(Cl)ccc3[O-])c2)cc1 ZINC000521381600 857944757 /nfs/dbraw/zinc/94/47/57/857944757.db2.gz JSCPNRPOVNCQEM-UHFFFAOYSA-N -1 3 390.848 3.645 20 0 GHADHM CN(Cc1ccc(F)cc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486653997 857947283 /nfs/dbraw/zinc/94/72/83/857947283.db2.gz QPLQMGMJWTVFMY-UHFFFAOYSA-N -1 3 385.208 3.775 20 0 GHADHM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3cc(Cl)ccc3[O-])cc21 ZINC000067145481 858004111 /nfs/dbraw/zinc/00/41/11/858004111.db2.gz WYNWMOYFCIKLML-UHFFFAOYSA-N -1 3 376.796 3.805 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c([O-])c1 ZINC000067178927 858006676 /nfs/dbraw/zinc/00/66/76/858006676.db2.gz QFQFODIFNRHGDL-UHFFFAOYSA-N -1 3 382.460 3.909 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594226887 858010813 /nfs/dbraw/zinc/01/08/13/858010813.db2.gz IWUDYPMSJZNPLO-VHDGCEQUSA-N -1 3 394.487 3.723 20 0 GHADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442737162 858082350 /nfs/dbraw/zinc/08/23/50/858082350.db2.gz MWQYOQFBXDPOQA-LBPRGKRZSA-N -1 3 390.452 3.950 20 0 GHADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cnccc1C(F)(F)F ZINC000442743396 858105126 /nfs/dbraw/zinc/10/51/26/858105126.db2.gz KGUZEVFUVWAXEI-UHFFFAOYSA-N -1 3 388.436 3.704 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCC1)c1cnccc1C(F)(F)F ZINC000442746339 858106887 /nfs/dbraw/zinc/10/68/87/858106887.db2.gz ZEYCIQUREIJTHO-UHFFFAOYSA-N -1 3 388.386 3.683 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1c(C)noc1C ZINC000544348593 858115907 /nfs/dbraw/zinc/11/59/07/858115907.db2.gz JDTAJPICVAZKDF-LLVKDONJSA-N -1 3 391.262 3.623 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N[N-]C(=O)c2ccccc2Br)c(C)s1 ZINC000046602450 858124029 /nfs/dbraw/zinc/12/40/29/858124029.db2.gz CIIYIUYVENDQCD-JTQLQIEISA-N -1 3 396.310 3.833 20 0 GHADHM O=C(CC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1)NC1CCCC1 ZINC000682475136 858330143 /nfs/dbraw/zinc/33/01/43/858330143.db2.gz PVDJRKRCVFTIQN-UHFFFAOYSA-N -1 3 390.499 3.542 20 0 GHADHM COc1ccc2c(c1)CCN2C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000521826044 858345118 /nfs/dbraw/zinc/34/51/18/858345118.db2.gz LOZGTQDTSSZIPR-UHFFFAOYSA-N -1 3 376.416 3.761 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000682528976 858349654 /nfs/dbraw/zinc/34/96/54/858349654.db2.gz QMMCVQMXNKDZNU-GOSISDBHSA-N -1 3 399.384 3.806 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000521850945 858368770 /nfs/dbraw/zinc/36/87/70/858368770.db2.gz DDWFVEDACIWXBQ-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1Cl ZINC000443094487 858372165 /nfs/dbraw/zinc/37/21/65/858372165.db2.gz CPSDPLSPCLJYMA-SNVBAGLBSA-N -1 3 388.272 3.820 20 0 GHADHM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)N1CCC(Cc2ccccc2)CC1 ZINC000248513171 858484634 /nfs/dbraw/zinc/48/46/34/858484634.db2.gz CWFWPRBXQPWPPI-GFRNBQLOSA-N -1 3 398.547 3.574 20 0 GHADHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574952887 858495064 /nfs/dbraw/zinc/49/50/64/858495064.db2.gz WDUJMDHUISWNLO-MLCYQJTMSA-N -1 3 399.244 3.543 20 0 GHADHM C/C=C\c1ccc(OC=C([O-])Nc2nc(-c3ccccc3)ns2)c(OC)c1 ZINC000614688385 858600854 /nfs/dbraw/zinc/60/08/54/858600854.db2.gz INZGWZFWRGJCAP-CLTKARDFSA-N -1 3 381.457 3.686 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1C)C(C)(C)C ZINC000443365105 858609690 /nfs/dbraw/zinc/60/96/90/858609690.db2.gz CEVNIRQUTJLIIF-GOSISDBHSA-N -1 3 393.480 3.986 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000443407231 858631523 /nfs/dbraw/zinc/63/15/23/858631523.db2.gz HPTWDOBBJJWZQY-UHFFFAOYSA-N -1 3 379.331 3.766 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c(C)c1 ZINC000443417161 858653833 /nfs/dbraw/zinc/65/38/33/858653833.db2.gz OYYIIVLFTNLJGC-UHFFFAOYSA-N -1 3 393.358 3.885 20 0 GHADHM COC(=O)[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]2CCCC[C@@H]12 ZINC000595729350 858666375 /nfs/dbraw/zinc/66/63/75/858666375.db2.gz DPGKIAJCSXASJO-SQWLQELKSA-N -1 3 395.459 3.635 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000191230254 858670280 /nfs/dbraw/zinc/67/02/80/858670280.db2.gz CNGKJADTQUXQAH-UHFFFAOYSA-N -1 3 386.256 3.932 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C(\C)c2cccc(F)c2)cc1OC ZINC000171965939 863049937 /nfs/dbraw/zinc/04/99/37/863049937.db2.gz FVNCHLBGWJIBDA-JLHYYAGUSA-N -1 3 392.452 3.638 20 0 GHADHM CCC1(C)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000522153218 858675265 /nfs/dbraw/zinc/67/52/65/858675265.db2.gz FFWUHFOGDMZHNY-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM Cc1[nH]c2ccc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1C ZINC000522170037 858692199 /nfs/dbraw/zinc/69/21/99/858692199.db2.gz IWRNGKICXHWPPG-UHFFFAOYSA-N -1 3 391.471 3.525 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1-n1nnnc1C(C)C ZINC000543165295 858720436 /nfs/dbraw/zinc/72/04/36/858720436.db2.gz AJTJMLZTRDDJKW-UHFFFAOYSA-N -1 3 391.884 3.548 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1cccc(-c2nnn[n-]2)c1 ZINC000160345882 858816504 /nfs/dbraw/zinc/81/65/04/858816504.db2.gz WOOFBEGCRAZXGH-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1cccc(-c2nn[n-]n2)c1 ZINC000160345882 858816508 /nfs/dbraw/zinc/81/65/08/858816508.db2.gz WOOFBEGCRAZXGH-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000482756296 858829751 /nfs/dbraw/zinc/82/97/51/858829751.db2.gz OQCPCBBKKXZZJJ-GFCCVEGCSA-N -1 3 387.381 3.939 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2ccc(-c3ccccc3)cc2OC)n[n-]1 ZINC000895235969 858839083 /nfs/dbraw/zinc/83/90/83/858839083.db2.gz ZYNDUDDQQHLTFF-AWEZNQCLSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(-c3ccccc3)cc2OC)[n-]1 ZINC000895235969 858839093 /nfs/dbraw/zinc/83/90/93/858839093.db2.gz ZYNDUDDQQHLTFF-AWEZNQCLSA-N -1 3 380.448 3.508 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2ccc(-c3ccccc3)cc2OC)n1 ZINC000895235969 858839105 /nfs/dbraw/zinc/83/91/05/858839105.db2.gz ZYNDUDDQQHLTFF-AWEZNQCLSA-N -1 3 380.448 3.508 20 0 GHADHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1c[n-]c2ccccc2c1=O ZINC000068131494 858901917 /nfs/dbraw/zinc/90/19/17/858901917.db2.gz MWXBWZAXGSWKMR-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000184599906 858968379 /nfs/dbraw/zinc/96/83/79/858968379.db2.gz VFKSVQZFUYBOOD-UHFFFAOYSA-N -1 3 387.440 3.808 20 0 GHADHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2C1 ZINC000184960094 859025929 /nfs/dbraw/zinc/02/59/29/859025929.db2.gz MXVVQHCIOKQSAN-CQSZACIVSA-N -1 3 388.489 3.576 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)c(=O)c2c(OC)c1 ZINC000625856943 859038433 /nfs/dbraw/zinc/03/84/33/859038433.db2.gz UBWQUGILZXJLTQ-HNNXBMFYSA-N -1 3 394.471 3.523 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483024302 859082409 /nfs/dbraw/zinc/08/24/09/859082409.db2.gz MGRYWUSKQIVOFY-UHFFFAOYSA-N -1 3 399.417 3.593 20 0 GHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000194591699 859131627 /nfs/dbraw/zinc/13/16/27/859131627.db2.gz YWBIIYNBTDGWSM-AWEZNQCLSA-N -1 3 376.412 3.841 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(Oc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000550555272 859171621 /nfs/dbraw/zinc/17/16/21/859171621.db2.gz BCSZRFMBXBTTRD-UHFFFAOYSA-N -1 3 395.846 3.949 20 0 GHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000120336598 881395922 /nfs/dbraw/zinc/39/59/22/881395922.db2.gz RUHHPPYXZPYOMU-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(OCCC(C)C)c1 ZINC000483209766 859223739 /nfs/dbraw/zinc/22/37/39/859223739.db2.gz ZPJBASMFSFRZDE-UHFFFAOYSA-N -1 3 399.417 3.556 20 0 GHADHM Cc1ncc(CNC(=O)c2ccccc2OCc2ccccc2Cl)c(=O)[n-]1 ZINC000543312188 859226890 /nfs/dbraw/zinc/22/68/90/859226890.db2.gz YMFMNZPPDKVNOF-UHFFFAOYSA-N -1 3 383.835 3.653 20 0 GHADHM CS/C=C\C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000764243392 859307720 /nfs/dbraw/zinc/30/77/20/859307720.db2.gz QOYQPPRVKXRYDB-QXMHVHEDSA-N -1 3 376.503 3.919 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000923471526 859341634 /nfs/dbraw/zinc/34/16/34/859341634.db2.gz QTYYSTYDUPJEHA-AVRDEDQJSA-N -1 3 392.515 3.996 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923471674 859341726 /nfs/dbraw/zinc/34/17/26/859341726.db2.gz YEBMBWBUFDXVAW-QAPCUYQASA-N -1 3 385.291 3.676 20 0 GHADHM CC[C@@H](CC(F)(F)F)N=c1cc(N[C@@H](CC)CC(F)(F)F)n2[n-]cnc2n1 ZINC000480118232 859383308 /nfs/dbraw/zinc/38/33/08/859383308.db2.gz OBLHBCZREVWVTK-UWVGGRQHSA-N -1 3 398.355 3.832 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483544969 859440585 /nfs/dbraw/zinc/44/05/85/859440585.db2.gz QJOOPJHQUALLBT-VHSXEESVSA-N -1 3 389.809 3.811 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1cccc(F)c1 ZINC000543372091 859440783 /nfs/dbraw/zinc/44/07/83/859440783.db2.gz LCENPMJEOGKOSB-UHFFFAOYSA-N -1 3 394.410 3.903 20 0 GHADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000764433787 859448316 /nfs/dbraw/zinc/44/83/16/859448316.db2.gz FRKFUHRIBGUGPP-WEVVVXLNSA-N -1 3 396.399 3.710 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483562692 859452313 /nfs/dbraw/zinc/45/23/13/859452313.db2.gz SLFHBGZLCUKUGU-GFCCVEGCSA-N -1 3 381.402 3.896 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483564899 859453158 /nfs/dbraw/zinc/45/31/58/859453158.db2.gz DYYDXOGLPLRIRO-AWEZNQCLSA-N -1 3 381.402 3.994 20 0 GHADHM Cc1cc([C@@H]2CN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CCO2)ccc1F ZINC000764495111 859467297 /nfs/dbraw/zinc/46/72/97/859467297.db2.gz QQVXKVMLOPKJFO-FQEVSTJZSA-N -1 3 383.419 3.828 20 0 GHADHM CCc1cc2c(CSc3n[nH]c(-c4cccnc4)n3)cc(=O)oc2cc1[O-] ZINC000060530856 859480750 /nfs/dbraw/zinc/48/07/50/859480750.db2.gz VMWANRSJNQUTAA-UHFFFAOYSA-N -1 3 380.429 3.533 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000135615275 859500634 /nfs/dbraw/zinc/50/06/34/859500634.db2.gz ZUUNONSNHYLROS-UHFFFAOYSA-N -1 3 394.302 3.881 20 0 GHADHM Cc1ccc([O-])c(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)n1 ZINC000483643420 859505397 /nfs/dbraw/zinc/50/53/97/859505397.db2.gz XSSLETMOVWBVIH-NSHDSACASA-N -1 3 389.253 3.759 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)cc2)cc(=O)[n-]1 ZINC000466444849 859516723 /nfs/dbraw/zinc/51/67/23/859516723.db2.gz ZPZDFZYNXMPPCZ-NSHDSACASA-N -1 3 396.451 3.721 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(C3CCOCC3)c2C)c([O-])c1 ZINC000597442292 859552985 /nfs/dbraw/zinc/55/29/85/859552985.db2.gz UAJMKBLXGKKUJJ-UHFFFAOYSA-N -1 3 386.448 3.591 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])s2)o1 ZINC000673506060 859614652 /nfs/dbraw/zinc/61/46/52/859614652.db2.gz ZLEJTKQEAXTYQZ-QWHCGFSZSA-N -1 3 399.472 3.810 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000125986290 859626542 /nfs/dbraw/zinc/62/65/42/859626542.db2.gz OUYUIUFEGRHQQM-UHFFFAOYSA-N -1 3 380.286 3.805 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503952 859627286 /nfs/dbraw/zinc/62/72/86/859627286.db2.gz MGVQGKSYJUCSSS-STQMWFEESA-N -1 3 397.406 3.579 20 0 GHADHM CC(C)c1ccc(CCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673509172 859631635 /nfs/dbraw/zinc/63/16/35/859631635.db2.gz PGMMVIRHZPHIRV-HOTGVXAUSA-N -1 3 383.492 3.623 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(C4CCCC4)c3)CC2)n[n-]1 ZINC000597573295 859647923 /nfs/dbraw/zinc/64/79/23/859647923.db2.gz CTHBZMHHJUUKPW-UHFFFAOYSA-N -1 3 396.491 3.659 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(C4CCCC4)c3)CC2)[n-]1 ZINC000597573295 859647928 /nfs/dbraw/zinc/64/79/28/859647928.db2.gz CTHBZMHHJUUKPW-UHFFFAOYSA-N -1 3 396.491 3.659 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncoc1-c1ccc(F)cc1 ZINC000474247014 859687523 /nfs/dbraw/zinc/68/75/23/859687523.db2.gz HIKBVLSNFUEIOZ-UHFFFAOYSA-N -1 3 391.196 3.879 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)ccc1Br ZINC000383798559 859702255 /nfs/dbraw/zinc/70/22/55/859702255.db2.gz IGZLYHLIYFGYQA-UHFFFAOYSA-N -1 3 382.279 3.883 20 0 GHADHM CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000052799832 859776582 /nfs/dbraw/zinc/77/65/82/859776582.db2.gz ALZGWYJXSSOZEQ-PMACEKPBSA-N -1 3 380.488 3.553 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484089546 859799935 /nfs/dbraw/zinc/79/99/35/859799935.db2.gz QQSKKFMLLHVCEQ-UHFFFAOYSA-N -1 3 382.420 3.873 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)n1 ZINC000602173040 859824007 /nfs/dbraw/zinc/82/40/07/859824007.db2.gz UTCDBHCLBLHTQY-INIZCTEOSA-N -1 3 391.471 3.976 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)ccc1F ZINC001299298286 859840873 /nfs/dbraw/zinc/84/08/73/859840873.db2.gz NBJGXWAQACCSST-GOSISDBHSA-N -1 3 396.528 3.553 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000765227066 859855476 /nfs/dbraw/zinc/85/54/76/859855476.db2.gz INSPQKXVCIHADX-GTNSWQLSSA-N -1 3 395.427 3.810 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000765244361 859863767 /nfs/dbraw/zinc/86/37/67/859863767.db2.gz UJWCXFQHISBNPS-ZUZCIYMTSA-N -1 3 392.279 3.923 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(C)C)ccc1F ZINC000032287402 859883293 /nfs/dbraw/zinc/88/32/93/859883293.db2.gz NVMRSCJVDNCNND-UHFFFAOYSA-N -1 3 394.468 3.552 20 0 GHADHM CC(C)c1nc(Cn2cc(C(=O)Nc3cc(F)ccc3[O-])ccc2=O)cs1 ZINC000474370846 859942058 /nfs/dbraw/zinc/94/20/58/859942058.db2.gz NTRPZRRUKZVUJB-UHFFFAOYSA-N -1 3 387.436 3.574 20 0 GHADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc2c(cc1[O-])OCO2 ZINC000436526818 860015387 /nfs/dbraw/zinc/01/53/87/860015387.db2.gz GOIUFTSQQHGABE-UHFFFAOYSA-N -1 3 389.257 3.576 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCSC2(CCC2)C1 ZINC000921525871 860019193 /nfs/dbraw/zinc/01/91/93/860019193.db2.gz AMWDDLOUGKEFRJ-LBPRGKRZSA-N -1 3 385.327 3.772 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c2ccco2)cc1 ZINC001212185457 860025516 /nfs/dbraw/zinc/02/55/16/860025516.db2.gz WBKCXWZAHANHIY-LJQANCHMSA-N -1 3 393.411 3.943 20 0 GHADHM C[C@@H](c1ccccc1)[C@H](NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000904022890 860034035 /nfs/dbraw/zinc/03/40/35/860034035.db2.gz DKDAUAHXKVDHIX-BONVTDFDSA-N -1 3 383.673 3.844 20 0 GHADHM O=C(Nc1nnc(SCc2cccs2)s1)c1cc2c(cc1[O-])OCO2 ZINC000436556488 860055401 /nfs/dbraw/zinc/05/54/01/860055401.db2.gz QCOVOVKKXKKSMX-UHFFFAOYSA-N -1 3 393.471 3.579 20 0 GHADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)cc(Br)c1O ZINC000904042347 860061091 /nfs/dbraw/zinc/06/10/91/860061091.db2.gz CXTMKMSLQQCLDM-OAHLLOKOSA-N -1 3 394.265 3.777 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cc2sc3ccccc3c2s1 ZINC000053741902 860074067 /nfs/dbraw/zinc/07/40/67/860074067.db2.gz YIJIDEPANRQKNL-UHFFFAOYSA-N -1 3 396.493 3.981 20 0 GHADHM CC1(C)CC[C@H](OC(=O)c2n[n-]c(-c3ccccc3)c2Br)C1=O ZINC000840325841 860094536 /nfs/dbraw/zinc/09/45/36/860094536.db2.gz BNTPZDBGLMICDU-NSHDSACASA-N -1 3 377.238 3.754 20 0 GHADHM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000526825425 860160144 /nfs/dbraw/zinc/16/01/44/860160144.db2.gz JKAIGWNHFXVDLF-UHFFFAOYSA-N -1 3 396.468 3.582 20 0 GHADHM O=C(NC[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000527177010 860171005 /nfs/dbraw/zinc/17/10/05/860171005.db2.gz DEBQUZULCZARKQ-HXUWFJFHSA-N -1 3 388.467 3.970 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000921527367 860186039 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COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000480050040 863927249 /nfs/dbraw/zinc/92/72/49/863927249.db2.gz IEXUALFZWLHYBK-HNNXBMFYSA-N -1 3 395.477 3.588 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000606931330 863955198 /nfs/dbraw/zinc/95/51/98/863955198.db2.gz QFGHDEYYQRUAQF-UHFFFAOYSA-N -1 3 382.782 3.797 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-c2ccccc2)nn1 ZINC000158827096 863961082 /nfs/dbraw/zinc/96/10/82/863961082.db2.gz SOMPHCXAZCCQPO-UHFFFAOYSA-N -1 3 399.248 3.933 20 0 GHADHM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)sn1 ZINC000480096481 864026041 /nfs/dbraw/zinc/02/60/41/864026041.db2.gz VAILIHAGSHJRJB-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)N(C)C)cc1 ZINC000071891435 864098341 /nfs/dbraw/zinc/09/83/41/864098341.db2.gz SGWXHZZTBAZHIO-GOSISDBHSA-N -1 3 396.516 3.593 20 0 GHADHM O=C(Cc1c[nH]c2cc(Br)ccc12)[N-]OCc1ccc(F)cc1 ZINC000184170224 864165086 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O=C(Nc1nnc(SCc2cccs2)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000621706329 864361459 /nfs/dbraw/zinc/36/14/59/864361459.db2.gz QBVOTPDDSSDFLA-UHFFFAOYSA-N -1 3 391.503 3.517 20 0 GHADHM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621724227 864382272 /nfs/dbraw/zinc/38/22/72/864382272.db2.gz CGBHQNZWJWOXJQ-UHFFFAOYSA-N -1 3 377.366 3.992 20 0 GHADHM CC[C@H]1CCC[C@H](OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)C1 ZINC000734720411 864405153 /nfs/dbraw/zinc/40/51/53/864405153.db2.gz RALFWEYFZFNRAF-YJBOKZPZSA-N -1 3 383.510 3.728 20 0 GHADHM O=C(Nc1cccc(Cl)c1)c1ccc(NCc2nc(C(F)(F)F)n[n-]2)nc1 ZINC000480311282 864458705 /nfs/dbraw/zinc/45/87/05/864458705.db2.gz ARZGRBFWRTVQMW-UHFFFAOYSA-N -1 3 396.760 3.736 20 0 GHADHM CCc1noc(C)c1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000163448953 864515980 /nfs/dbraw/zinc/51/59/80/864515980.db2.gz AOJHZWACAYAQKV-UHFFFAOYSA-N -1 3 399.516 3.978 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000189252309 881777011 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O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000622104104 864765414 /nfs/dbraw/zinc/76/54/14/864765414.db2.gz NQPRLTITEIXADD-IBGZPJMESA-N -1 3 391.345 3.661 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cccc(Br)c1Cl ZINC000671176967 864813500 /nfs/dbraw/zinc/81/35/00/864813500.db2.gz HPDZDILVVGVGLX-DIOULYMOSA-N -1 3 398.709 3.719 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000622161093 864816808 /nfs/dbraw/zinc/81/68/08/864816808.db2.gz IGNNFMVBHOVLHU-INIZCTEOSA-N -1 3 381.350 3.998 20 0 GHADHM Cc1cc2c(cc1C)[C@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)CO2 ZINC000184750982 864909807 /nfs/dbraw/zinc/90/98/07/864909807.db2.gz VHMRVDGMGVSDDI-CQSZACIVSA-N -1 3 379.243 3.547 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(-n4cccn4)cc3)nc2)n1 ZINC000301189480 865215616 /nfs/dbraw/zinc/21/56/16/865215616.db2.gz VGRHPKDWMBKNAU-UHFFFAOYSA-N -1 3 386.459 3.647 20 0 GHADHM Cc1nc(-c2ccc(NCc3ccnc(N4CCCCC4)c3)nc2)[n-]c(=O)c1C ZINC000301352872 865306587 /nfs/dbraw/zinc/30/65/87/865306587.db2.gz JKUCEFAOODOKMF-UHFFFAOYSA-N -1 3 390.491 3.858 20 0 GHADHM COC(=O)c1ccoc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736958042 865331427 /nfs/dbraw/zinc/33/14/27/865331427.db2.gz XVWNQLSWCKOORY-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM COC(=O)c1ccoc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736958042 865331435 /nfs/dbraw/zinc/33/14/35/865331435.db2.gz XVWNQLSWCKOORY-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(C)CCC2)c(Br)c1 ZINC000178975088 865382334 /nfs/dbraw/zinc/38/23/34/865382334.db2.gz QOVCIPNTRPMSGV-UHFFFAOYSA-N -1 3 397.132 3.741 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCc3nc4ccccc4n3C)nc2)n1 ZINC000301537790 865411051 /nfs/dbraw/zinc/41/10/51/865411051.db2.gz AYLRYISAPFFKLJ-UHFFFAOYSA-N -1 3 388.475 3.738 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000480866940 865413968 /nfs/dbraw/zinc/41/39/68/865413968.db2.gz FZOKALSOYSFPKA-MRXNPFEDSA-N -1 3 375.421 3.942 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000481016032 865672987 /nfs/dbraw/zinc/67/29/87/865672987.db2.gz JIMJEHNJGYDAGI-MWLCHTKSSA-N -1 3 390.349 3.747 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000555202680 865699204 /nfs/dbraw/zinc/69/92/04/865699204.db2.gz GIINWMDIQYJCHS-UHFFFAOYSA-N -1 3 384.439 3.931 20 0 GHADHM O=C(CCc1nnc(-c2ccccc2)o1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622893503 865709361 /nfs/dbraw/zinc/70/93/61/865709361.db2.gz IZVHNHUZLKSNBO-UHFFFAOYSA-N -1 3 393.834 3.773 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c(F)c1 ZINC000481049870 865744136 /nfs/dbraw/zinc/74/41/36/865744136.db2.gz ANRQSOUVXGCMPB-SNVBAGLBSA-N -1 3 377.359 3.893 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnc(-c2ccncc2)s1 ZINC000172931621 865748176 /nfs/dbraw/zinc/74/81/76/865748176.db2.gz JTUSVYWOVGSKEW-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000739625670 865770836 /nfs/dbraw/zinc/77/08/36/865770836.db2.gz BHBNCWHGGWDAFZ-HNNXBMFYSA-N -1 3 384.517 3.697 20 0 GHADHM Cc1cccc(C)c1CS(=O)(=O)[N-]C1(c2noc(C(C)C)n2)CCCC1 ZINC000555327817 865900758 /nfs/dbraw/zinc/90/07/58/865900758.db2.gz RNMZLSVHWHMYKO-UHFFFAOYSA-N -1 3 377.510 3.699 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c(=O)[n-]1 ZINC000523055610 866022333 /nfs/dbraw/zinc/02/23/33/866022333.db2.gz UVYMMEUJXJXHQH-FQEVSTJZSA-N -1 3 389.455 3.649 20 0 GHADHM COc1cc(C(=O)Nc2n[n-]c(SC)n2)cc(Cl)c1OCCC(C)C ZINC000623199684 866079353 /nfs/dbraw/zinc/07/93/53/866079353.db2.gz WTCIMHKKUPKMLS-UHFFFAOYSA-N -1 3 384.889 3.866 20 0 GHADHM COCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000456262935 866322468 /nfs/dbraw/zinc/32/24/68/866322468.db2.gz NTAOKPLRUQPHQI-MRXNPFEDSA-N -1 3 385.357 3.987 20 0 GHADHM CC1(C)C[C@@]1(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000620085679 866368038 /nfs/dbraw/zinc/36/80/38/866368038.db2.gz VOLSGEAIJBNQDW-LJQANCHMSA-N -1 3 376.453 3.545 20 0 GHADHM COCCOc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000163156991 866457426 /nfs/dbraw/zinc/45/74/26/866457426.db2.gz GTPSQZSRXTYXMC-UHFFFAOYSA-N -1 3 395.253 3.502 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000534310624 866528133 /nfs/dbraw/zinc/52/81/33/866528133.db2.gz LMTBXGBXYHXBJM-IBGZPJMESA-N -1 3 387.505 3.505 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1csc(NC2CC2)n1 ZINC000478788126 866633106 /nfs/dbraw/zinc/63/31/06/866633106.db2.gz MTMPFPLVSIBGNI-UHFFFAOYSA-N -1 3 395.872 3.703 20 0 GHADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000032659217 866698439 /nfs/dbraw/zinc/69/84/39/866698439.db2.gz YXRUXTCJODKCLG-GMSGAONNSA-N -1 3 388.695 3.754 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)OC)c2)cc1 ZINC000534401187 866719103 /nfs/dbraw/zinc/71/91/03/866719103.db2.gz OENWFSVOUNCVTQ-UHFFFAOYSA-N -1 3 395.502 3.541 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(c1ccccc1)c1ccccc1 ZINC000620421281 866733746 /nfs/dbraw/zinc/73/37/46/866733746.db2.gz OJPJPTBQFNGHLI-HNNXBMFYSA-N -1 3 399.450 3.912 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000620494735 866791198 /nfs/dbraw/zinc/79/11/98/866791198.db2.gz VUPYDUITHVMTPW-UHFFFAOYSA-N -1 3 389.434 3.621 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000857103615 882019172 /nfs/dbraw/zinc/01/91/72/882019172.db2.gz LOHLTGJVNMOLSS-MRXNPFEDSA-N -1 3 387.304 3.903 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456727732 867070953 /nfs/dbraw/zinc/07/09/53/867070953.db2.gz ZVQKMFXUSDHSNS-SJKOYZFVSA-N -1 3 381.350 3.570 20 0 GHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@@H]1c1ccccc1 ZINC000534638077 867165724 /nfs/dbraw/zinc/16/57/24/867165724.db2.gz JEVTYSAMUQQOGH-RISCZKNCSA-N -1 3 391.345 3.779 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](c3cccnc3)C3CC3)cc2)cc(=O)[n-]1 ZINC000534643060 867174929 /nfs/dbraw/zinc/17/49/29/867174929.db2.gz CQRWUPSNKZITDY-FQEVSTJZSA-N 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867336333 /nfs/dbraw/zinc/33/63/33/867336333.db2.gz VQCJZLHEIRLYNS-SJKOYZFVSA-N -1 3 376.250 3.757 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[C@H]1c1cccnc1 ZINC000640296828 882078484 /nfs/dbraw/zinc/07/84/84/882078484.db2.gz FDFJWKONLGCROO-LBPRGKRZSA-N -1 3 387.793 3.531 20 0 GHADHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1NC(=O)OC(C)(C)C ZINC000742572341 867380676 /nfs/dbraw/zinc/38/06/76/867380676.db2.gz CMCNTKTZJKZTFC-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1NC(=O)OC(C)(C)C ZINC000742572341 867380694 /nfs/dbraw/zinc/38/06/94/867380694.db2.gz CMCNTKTZJKZTFC-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3ccco3)cc1F)OCO2 ZINC000479251682 867428259 /nfs/dbraw/zinc/42/82/59/867428259.db2.gz UBTZLQVRXHMYBL-UHFFFAOYSA-N -1 3 375.377 3.924 20 0 GHADHM Cn1ncc(C(=O)Nc2cc(Br)ccc2[O-])c1Cc1ccccc1 ZINC000445003478 867626152 /nfs/dbraw/zinc/62/61/52/867626152.db2.gz IECREIMYNHIQJN-UHFFFAOYSA-N -1 3 386.249 3.731 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000154853871 867630753 /nfs/dbraw/zinc/63/07/53/867630753.db2.gz QNOVBOQHVVHOOR-AWEZNQCLSA-N -1 3 378.519 3.876 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCc2nc(C(C)C)no2)c1Cl ZINC000523674351 867755446 /nfs/dbraw/zinc/75/54/46/867755446.db2.gz GQEOOYDZVUXDKV-UHFFFAOYSA-N -1 3 392.308 3.719 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1ccc(Cl)nc1Cl ZINC000743051004 867788002 /nfs/dbraw/zinc/78/80/02/867788002.db2.gz GSMXWOQBXHVCDR-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000857221696 882121740 /nfs/dbraw/zinc/12/17/40/882121740.db2.gz MBSYTGGBNAJIKO-MRXNPFEDSA-N -1 3 392.496 3.670 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc(C[S@@](C)=O)c3)cc2)cc(=O)[n-]1 ZINC000523736029 867871740 /nfs/dbraw/zinc/87/17/40/867871740.db2.gz LDDFBTXUICGUJL-MUUNZHRXSA-N -1 3 396.472 3.680 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)n1 ZINC000155917535 868182169 /nfs/dbraw/zinc/18/21/69/868182169.db2.gz SXLFOUKRWBBGAU-JTQLQIEISA-N -1 3 377.470 3.947 20 0 GHADHM Cc1cc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)s1 ZINC000920520726 882162450 /nfs/dbraw/zinc/16/24/50/882162450.db2.gz CUBISCFHAXCZOQ-UHFFFAOYSA-N -1 3 385.482 3.548 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000156002278 868214749 /nfs/dbraw/zinc/21/47/49/868214749.db2.gz NRQTWCHVRZEHDK-UHFFFAOYSA-N -1 3 393.292 3.593 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cn1 ZINC000154749265 868224999 /nfs/dbraw/zinc/22/49/99/868224999.db2.gz WBCLEEDHFRCRSN-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000793390244 882166954 /nfs/dbraw/zinc/16/69/54/882166954.db2.gz NMGREBWGISEGRD-UHFFFAOYSA-N -1 3 383.408 3.972 20 0 GHADHM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000190390103 882174184 /nfs/dbraw/zinc/17/41/84/882174184.db2.gz GYYYSFGSFABWRU-UHFFFAOYSA-N -1 3 393.415 3.625 20 0 GHADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000163251108 868308299 /nfs/dbraw/zinc/30/82/99/868308299.db2.gz JKUYTZZFSVGNBN-UHFFFAOYSA-N -1 3 399.672 3.816 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1cc(F)c(Br)cc1F ZINC000156381778 868346479 /nfs/dbraw/zinc/34/64/79/868346479.db2.gz SDSBJJHYTXVUAR-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CCCCCNC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000445440352 868450593 /nfs/dbraw/zinc/45/05/93/868450593.db2.gz PEOKTUGYCVJXJL-UHFFFAOYSA-N -1 3 395.459 3.870 20 0 GHADHM C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)C[C@H](C)O1 ZINC000445469561 868474355 /nfs/dbraw/zinc/47/43/55/868474355.db2.gz BNYNFCXHIJWJGO-OKILXGFUSA-N -1 3 383.423 3.858 20 0 GHADHM CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000857342636 882212366 /nfs/dbraw/zinc/21/23/66/882212366.db2.gz RLHSFFDJHQEXKV-UHFFFAOYSA-N -1 3 377.444 3.508 20 0 GHADHM Cn1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(C2CCCCC2)n1 ZINC000648432728 882220616 /nfs/dbraw/zinc/22/06/16/882220616.db2.gz GHVIEWFSHIJHBU-UHFFFAOYSA-N -1 3 389.809 3.554 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000648432883 882220953 /nfs/dbraw/zinc/22/09/53/882220953.db2.gz LCPSJWMKUUKHPG-GUYCJALGSA-N -1 3 383.801 3.753 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(C(C)(C)c3cccc(F)c3)no2)c([O-])c1 ZINC000445646008 868772281 /nfs/dbraw/zinc/77/22/81/868772281.db2.gz ABPRAJSHKTUZTD-UHFFFAOYSA-N -1 3 383.423 3.521 20 0 GHADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479981973 868856489 /nfs/dbraw/zinc/85/64/89/868856489.db2.gz OHOVPVCKMOFTJK-VXGBXAGGSA-N -1 3 396.372 3.773 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000621175234 868871570 /nfs/dbraw/zinc/87/15/70/868871570.db2.gz LBVPRPWAPNEKHG-GOSISDBHSA-N -1 3 379.435 3.843 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000524420225 869044282 /nfs/dbraw/zinc/04/42/82/869044282.db2.gz WZOWCYIXPFYDAF-UHFFFAOYSA-N -1 3 385.427 3.898 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1)c1ccco1 ZINC000462259143 869110353 /nfs/dbraw/zinc/11/03/53/869110353.db2.gz CVZURJHHIMULNE-SFHVURJKSA-N -1 3 393.505 3.811 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(CSc2ccccn2)c1 ZINC000445938086 869178643 /nfs/dbraw/zinc/17/86/43/869178643.db2.gz OCBHRSWFCULKEK-ZDUSSCGKSA-N -1 3 381.379 3.751 20 0 GHADHM CC(C)CO[C@H](C)c1noc(COC(=O)c2cccc(Br)c2[O-])n1 ZINC000744975502 869204640 /nfs/dbraw/zinc/20/46/40/869204640.db2.gz FUXSVUXWACOQMA-SNVBAGLBSA-N -1 3 399.241 3.628 20 0 GHADHM O=C(OCc1ncc(-c2ccccc2Br)o1)c1cncc([O-])c1 ZINC000745001896 869225583 /nfs/dbraw/zinc/22/55/83/869225583.db2.gz HCOZFXHTXPKUFM-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCOC2CCCCCC2)s1 ZINC000462360368 869290744 /nfs/dbraw/zinc/29/07/44/869290744.db2.gz QJTFXOIHMSPJEM-UHFFFAOYSA-N -1 3 396.372 3.837 20 0 GHADHM C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1C(F)(F)F ZINC000745223693 869392877 /nfs/dbraw/zinc/39/28/77/869392877.db2.gz SLHOTYOQPHSOCC-NSHDSACASA-N -1 3 399.390 3.760 20 0 GHADHM Cc1csc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1Br ZINC000190899713 882300233 /nfs/dbraw/zinc/30/02/33/882300233.db2.gz NQBJTUDBNGBLNL-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)Cc1cccs1 ZINC000462495288 869559903 /nfs/dbraw/zinc/55/99/03/869559903.db2.gz KMBRODVKTUTGAT-SNVBAGLBSA-N -1 3 392.315 3.807 20 0 GHADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)s1 ZINC000462497127 869563930 /nfs/dbraw/zinc/56/39/30/869563930.db2.gz VWBIJJCKHXPWOG-UHFFFAOYSA-N -1 3 384.832 3.911 20 0 GHADHM O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000446239742 869591799 /nfs/dbraw/zinc/59/17/99/869591799.db2.gz AMHYJYCMKCMXFF-UHFFFAOYSA-N -1 3 392.858 3.641 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)s1 ZINC000462517922 869594951 /nfs/dbraw/zinc/59/49/51/869594951.db2.gz NXNWJKCEJKZVSO-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1cccc(Cl)c1F ZINC000462575340 869701393 /nfs/dbraw/zinc/70/13/93/869701393.db2.gz KNEPJVJVYDLLTI-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cccc(OCC(F)(F)F)c2)cc1[O-] ZINC000745652298 869721279 /nfs/dbraw/zinc/72/12/79/869721279.db2.gz HWVXHVOWOXMHLN-UHFFFAOYSA-N -1 3 399.321 3.869 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000508625633 882330968 /nfs/dbraw/zinc/33/09/68/882330968.db2.gz OVDKLVDGDOTHJH-MRXNPFEDSA-N -1 3 376.403 3.591 20 0 GHADHM CCn1nc(C)c(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1C ZINC000446373045 869795550 /nfs/dbraw/zinc/79/55/50/869795550.db2.gz ZLUYNEYLGZWTNY-UHFFFAOYSA-N -1 3 378.263 3.891 20 0 GHADHM CN1CCC[C@H](SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1=O ZINC000539804983 869815978 /nfs/dbraw/zinc/81/59/78/869815978.db2.gz HWNSHBCEHUTFIA-LBPRGKRZSA-N -1 3 375.475 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cnn(CC4CCC4)c3)nc2)n1 ZINC000897375424 882341637 /nfs/dbraw/zinc/34/16/37/882341637.db2.gz SRACTGDZINUNRY-CQSZACIVSA-N -1 3 378.480 3.976 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1F ZINC000462662965 869863838 /nfs/dbraw/zinc/86/38/38/869863838.db2.gz PRIJWEHXGAMTTF-MRVPVSSYSA-N -1 3 396.278 3.871 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)co2)cc1 ZINC000745944449 869910672 /nfs/dbraw/zinc/91/06/72/869910672.db2.gz QANQWWNFDGHRDJ-UHFFFAOYSA-N -1 3 398.271 3.830 20 0 GHADHM O=C(OC[C@@H]1CCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000745961043 869913516 /nfs/dbraw/zinc/91/35/16/869913516.db2.gz RORHLRNMKVKNLY-AWEZNQCLSA-N -1 3 395.477 3.679 20 0 GHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)ccc12 ZINC000539852858 869918931 /nfs/dbraw/zinc/91/89/31/869918931.db2.gz WXCJNXYSVIHXCV-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000525156754 870083849 /nfs/dbraw/zinc/08/38/49/870083849.db2.gz RUNQUBIKCINDLP-UHFFFAOYSA-N -1 3 376.478 3.566 20 0 GHADHM CC(=O)Nc1ccc2nc([N-]C(=O)c3c(C)noc3C(F)(F)F)sc2c1 ZINC000746215822 870123193 /nfs/dbraw/zinc/12/31/93/870123193.db2.gz RNHVGNCFTDJFMX-UHFFFAOYSA-N -1 3 384.339 3.822 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000184904108 870199973 /nfs/dbraw/zinc/19/99/73/870199973.db2.gz YDYMBVVBXVINQT-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccncc2)c([O-])c1 ZINC000540026617 870238394 /nfs/dbraw/zinc/23/83/94/870238394.db2.gz APZWXIUMRARFFS-UHFFFAOYSA-N -1 3 392.411 3.795 20 0 GHADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1cc(Br)ccc1F ZINC001192294600 870271650 /nfs/dbraw/zinc/27/16/50/870271650.db2.gz NIVTXFHCMHHADO-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC001192309286 870275886 /nfs/dbraw/zinc/27/58/86/870275886.db2.gz ZEHMFXRIBMCERY-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2Cc3nccn3C[C@H](COCC3CC3)C2)c([O-])c1 ZINC001192327172 870292346 /nfs/dbraw/zinc/29/23/46/870292346.db2.gz RAGSKRQUTLADMJ-KRWDZBQOSA-N -1 3 397.519 3.585 20 0 GHADHM COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192336163 870298120 /nfs/dbraw/zinc/29/81/20/870298120.db2.gz SCSDVCCJDPRIQX-CYBMUJFWSA-N -1 3 382.460 3.554 20 0 GHADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540050120 870306882 /nfs/dbraw/zinc/30/68/82/870306882.db2.gz KGCXIWJEYVWNRJ-UHFFFAOYSA-N -1 3 382.279 3.883 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1ccn(-c2ccncc2)n1 ZINC000446791411 870372093 /nfs/dbraw/zinc/37/20/93/870372093.db2.gz TZQMSBDCJXLGQB-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2Br)cnc1Cl ZINC001192529341 870491183 /nfs/dbraw/zinc/49/11/83/870491183.db2.gz IGJHWUGPKSZHJI-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCCC1 ZINC001212329682 870576884 /nfs/dbraw/zinc/57/68/84/870576884.db2.gz YKSXKQOAYBJOQW-INIZCTEOSA-N -1 3 391.892 3.660 20 0 GHADHM Cc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(C)n1C1CCCCC1 ZINC000461610940 870584293 /nfs/dbraw/zinc/58/42/93/870584293.db2.gz RHIUKJMJOHCTQX-UHFFFAOYSA-N -1 3 396.491 3.758 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c2ccccc21 ZINC000461615989 870594253 /nfs/dbraw/zinc/59/42/53/870594253.db2.gz BLLUIQSGHSBOLR-YOEHRIQHSA-N -1 3 393.487 3.838 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC000122115742 882423108 /nfs/dbraw/zinc/42/31/08/882423108.db2.gz WZSZKGCENVEWAT-UHFFFAOYSA-N -1 3 389.455 3.631 20 0 GHADHM O=c1[n-]nc(SCc2ccc(OC(F)F)cc2)n1CCc1ccccc1 ZINC000060427118 882448014 /nfs/dbraw/zinc/44/80/14/882448014.db2.gz DJQZSQRAFNLWAP-UHFFFAOYSA-N -1 3 377.416 3.708 20 0 GHADHM O=S(=O)([N-]CC1CCC2(CC2)CC1)c1ccc(Br)cc1F ZINC001193163201 870927873 /nfs/dbraw/zinc/92/78/73/870927873.db2.gz VZJDZKKKHGBZGE-UHFFFAOYSA-N -1 3 376.291 3.837 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2cccc(F)c2)C(C)C)ccc1F ZINC000857672614 882458557 /nfs/dbraw/zinc/45/85/57/882458557.db2.gz CANPVPWRVKJJBO-UHFFFAOYSA-N -1 3 396.459 3.707 20 0 GHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(-c3ccccc3)nc2C)cc1 ZINC000181421614 870993918 /nfs/dbraw/zinc/99/39/18/870993918.db2.gz ISMOSOUWAUTXIL-QGZVFWFLSA-N -1 3 375.384 3.620 20 0 GHADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1nccs1 ZINC000538984391 871050852 /nfs/dbraw/zinc/05/08/52/871050852.db2.gz IURPPWKFXAJMBI-CYBMUJFWSA-N -1 3 391.493 3.934 20 0 GHADHM COCCCOc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000122210396 882476237 /nfs/dbraw/zinc/47/62/37/882476237.db2.gz VEGNAYDKLPRRRC-UHFFFAOYSA-N -1 3 384.407 3.643 20 0 GHADHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000447153920 871112174 /nfs/dbraw/zinc/11/21/74/871112174.db2.gz RGHIUGVRWNPORH-UHFFFAOYSA-N -1 3 379.400 3.585 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)c(=O)[n-]1 ZINC000447184723 871153201 /nfs/dbraw/zinc/15/32/01/871153201.db2.gz OIFQFBZMAMDFHC-UHFFFAOYSA-N -1 3 394.302 3.886 20 0 GHADHM COc1ccnc(C(=O)N2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC001193527500 871160509 /nfs/dbraw/zinc/16/05/09/871160509.db2.gz CPKVFZWHWJAASK-ZDUSSCGKSA-N -1 3 382.338 3.672 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cnn(-c3ccccn3)c2C(C)C)[nH][n-]1 ZINC000540419007 871231248 /nfs/dbraw/zinc/23/12/48/871231248.db2.gz DNCKQYIHFHNSIN-UHFFFAOYSA-N -1 3 386.459 3.763 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000461913229 871257814 /nfs/dbraw/zinc/25/78/14/871257814.db2.gz MZLWZWBKTRZRDT-UHFFFAOYSA-N -1 3 379.460 3.514 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(F)cc(Br)c1 ZINC001193792290 871285537 /nfs/dbraw/zinc/28/55/37/871285537.db2.gz CWOQIERZDCGKHW-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H](NC(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193759223 871299311 /nfs/dbraw/zinc/29/93/11/871299311.db2.gz RAPLQYOTHHVRQQ-RKQQLJTISA-N -1 3 388.386 3.587 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc(F)cc(Br)c1)CC(F)(F)F ZINC001193823134 871328489 /nfs/dbraw/zinc/32/84/89/871328489.db2.gz GVOIOZLVKWCPHF-UHFFFAOYSA-N -1 3 392.212 3.845 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1F ZINC000447274376 871340685 /nfs/dbraw/zinc/34/06/85/871340685.db2.gz LFGPYTRUMCAMBZ-UHFFFAOYSA-N -1 3 383.294 3.515 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(=Cc2ccc(F)cc2)c2cccs2)[n-]1 ZINC000793959519 882501398 /nfs/dbraw/zinc/50/13/98/882501398.db2.gz LMLIOSGYDALAID-UVTDQMKNSA-N -1 3 385.420 3.966 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(=Cc2ccc(F)cc2)c2cccs2)c[n-]1 ZINC000793959519 882501410 /nfs/dbraw/zinc/50/14/10/882501410.db2.gz LMLIOSGYDALAID-UVTDQMKNSA-N -1 3 385.420 3.966 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)c1c(C)cc(O)cc1[O-] ZINC001193928437 871373752 /nfs/dbraw/zinc/37/37/52/871373752.db2.gz CLROKZSYCCVWCC-QZTJIDSGSA-N -1 3 383.444 3.705 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)[n-]1 ZINC000793963985 882504708 /nfs/dbraw/zinc/50/47/08/882504708.db2.gz OYWSPZHTRLXOIW-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c[n-]1 ZINC000793963985 882504721 /nfs/dbraw/zinc/50/47/21/882504721.db2.gz OYWSPZHTRLXOIW-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCCc1ccc(CCC(=O)OC(C)(C)C)cc1 ZINC001193952123 871396077 /nfs/dbraw/zinc/39/60/77/871396077.db2.gz CUDJFIZMFFQTDN-UHFFFAOYSA-N -1 3 399.487 3.653 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@H]1CCCC1(F)F ZINC001194109077 871481307 /nfs/dbraw/zinc/48/13/07/871481307.db2.gz KBWVQYSPPAVVDA-SECBINFHSA-N -1 3 388.299 3.923 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2nc(-c3ccccc3)cs2)cc1OC ZINC000766710515 871509655 /nfs/dbraw/zinc/50/96/55/871509655.db2.gz GBTQVNFEECVPNY-UHFFFAOYSA-N -1 3 384.457 3.618 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1 ZINC000539191759 871509718 /nfs/dbraw/zinc/50/97/18/871509718.db2.gz RMTPVEPOYJMLAD-UHFFFAOYSA-N -1 3 395.452 3.728 20 0 GHADHM CCOC(=O)[C@H](Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC001169505446 871568752 /nfs/dbraw/zinc/56/87/52/871568752.db2.gz WWEITMZYUVDNJE-LJQANCHMSA-N -1 3 391.406 3.875 20 0 GHADHM CCOC(=O)[C@H](Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC001169505446 871568768 /nfs/dbraw/zinc/56/87/68/871568768.db2.gz WWEITMZYUVDNJE-LJQANCHMSA-N -1 3 391.406 3.875 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001169621872 871683400 /nfs/dbraw/zinc/68/34/00/871683400.db2.gz JXROXMBAPIRMEN-GXSJLCMTSA-N -1 3 378.274 3.640 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001169621872 871683415 /nfs/dbraw/zinc/68/34/15/871683415.db2.gz JXROXMBAPIRMEN-GXSJLCMTSA-N -1 3 378.274 3.640 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1cccc2c(Cl)nccc21 ZINC001194512352 871762024 /nfs/dbraw/zinc/76/20/24/871762024.db2.gz VOETWNQRMJITSE-ZDUSSCGKSA-N -1 3 378.803 3.898 20 0 GHADHM CN(CC[C@@H]1CCCO1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000525971768 871825080 /nfs/dbraw/zinc/82/50/80/871825080.db2.gz JXYLNTVFFKXKMI-HNNXBMFYSA-N -1 3 387.480 3.792 20 0 GHADHM COC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194638693 871844931 /nfs/dbraw/zinc/84/49/31/871844931.db2.gz LTQHCCZFQUVCJD-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(F)cccc1OC1CCOCC1 ZINC001194643354 871848772 /nfs/dbraw/zinc/84/87/72/871848772.db2.gz UHAMSXXLNGIRCT-UHFFFAOYSA-N -1 3 379.453 3.801 20 0 GHADHM CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@@H]1CCCO1 ZINC000234347072 871864820 /nfs/dbraw/zinc/86/48/20/871864820.db2.gz OBFARJOLTZCXOM-JTQLQIEISA-N -1 3 379.092 3.528 20 0 GHADHM C=Cc1ccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000463490965 871882225 /nfs/dbraw/zinc/88/22/25/871882225.db2.gz OEHUTJOYHHHDMR-UHFFFAOYSA-N -1 3 375.266 3.840 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253559032 871882946 /nfs/dbraw/zinc/88/29/46/871882946.db2.gz PREVGRCUCYBONS-WCFLWFBJSA-N -1 3 375.494 3.502 20 0 GHADHM CCC[C@]1(C(=O)OCC)CCCN1Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001169880348 871954118 /nfs/dbraw/zinc/95/41/18/871954118.db2.gz MTCRYYYTYNORDV-JOCHJYFZSA-N -1 3 387.476 3.759 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cc2)c(C)c1C ZINC001194865034 871996900 /nfs/dbraw/zinc/99/69/00/871996900.db2.gz XBGVMQZVFUYQBV-UHFFFAOYSA-N -1 3 385.489 3.666 20 0 GHADHM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194864994 871997184 /nfs/dbraw/zinc/99/71/84/871997184.db2.gz WETVUNSHACFFJO-UHFFFAOYSA-N -1 3 391.489 3.906 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCO[C@H](CC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000540723306 872003257 /nfs/dbraw/zinc/00/32/57/872003257.db2.gz KSSBVVQXSJQOMR-ZWKOTPCHSA-N -1 3 384.480 3.873 20 0 GHADHM CN(Cc1ccccc1NC([O-])=NO[C@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000775625992 872057442 /nfs/dbraw/zinc/05/74/42/872057442.db2.gz UMRPELAGKYDCPD-INIZCTEOSA-N -1 3 379.457 3.633 20 0 GHADHM CN(Cc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000775625992 872057460 /nfs/dbraw/zinc/05/74/60/872057460.db2.gz UMRPELAGKYDCPD-INIZCTEOSA-N -1 3 379.457 3.633 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3sc(Cl)nc3c2)cc1F ZINC001194982302 872087547 /nfs/dbraw/zinc/08/75/47/872087547.db2.gz YAUDWLSWWYOJNO-UHFFFAOYSA-N -1 3 399.856 3.713 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1CCC(OC(F)F)CC1 ZINC000552128739 872108023 /nfs/dbraw/zinc/10/80/23/872108023.db2.gz RLDRQEOAPNZLLT-UHFFFAOYSA-N -1 3 378.213 3.569 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OC(C)(C)C ZINC001195087001 872165123 /nfs/dbraw/zinc/16/51/23/872165123.db2.gz VTEZBVTUSLPFCP-GFCCVEGCSA-N -1 3 385.457 3.527 20 0 GHADHM CC[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC001127680004 872166472 /nfs/dbraw/zinc/16/64/72/872166472.db2.gz KTMTWGDMHFCSHX-KRWDZBQOSA-N -1 3 379.453 3.821 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1F ZINC000447783982 872291683 /nfs/dbraw/zinc/29/16/83/872291683.db2.gz XHKXPQJVUWCCRY-UHFFFAOYSA-N -1 3 383.294 3.515 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2cc(I)ccc2[O-])ccc1C ZINC000619123081 872320626 /nfs/dbraw/zinc/32/06/26/872320626.db2.gz GRMVGBKSZNSNMW-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000526952239 872324733 /nfs/dbraw/zinc/32/47/33/872324733.db2.gz MFGAKUHWKIXMEY-YPMHNXCESA-N -1 3 377.282 3.989 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)c(C)c1 ZINC000767249240 872359194 /nfs/dbraw/zinc/35/91/94/872359194.db2.gz LRNGZQYSPMHNGB-FVNWOWOISA-N -1 3 397.855 3.592 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1cc(-c2ccccn2)ccc1Cl ZINC000552274228 872370171 /nfs/dbraw/zinc/37/01/71/872370171.db2.gz HTXZEGIWNQLIJF-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000447871582 872401987 /nfs/dbraw/zinc/40/19/87/872401987.db2.gz LFARIJVXBQTVGM-HQJQHLMTSA-N -1 3 379.322 3.682 20 0 GHADHM COc1cccc(F)c1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001195462722 872405782 /nfs/dbraw/zinc/40/57/82/872405782.db2.gz NOORWNBXJLEWNL-UHFFFAOYSA-N -1 3 378.252 3.928 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sc(C)cc2OC(F)F)c1F ZINC000478090111 872497646 /nfs/dbraw/zinc/49/76/46/872497646.db2.gz VOLSOGSNCCEQCH-UHFFFAOYSA-N -1 3 377.315 3.975 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000094156163 872561076 /nfs/dbraw/zinc/56/10/76/872561076.db2.gz OHYGMGCUCKPMND-SFHVURJKSA-N -1 3 382.460 3.515 20 0 GHADHM O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cccc2n[n-]nc21 ZINC000527112433 872691538 /nfs/dbraw/zinc/69/15/38/872691538.db2.gz XUCZQIXBKPYRRP-SFHVURJKSA-N -1 3 377.835 3.720 20 0 GHADHM O=S(=O)(NC1(c2cccc(Br)c2)CCC1)c1ccc([O-])cc1 ZINC001195821389 872693898 /nfs/dbraw/zinc/69/38/98/872693898.db2.gz YUMZZPNRIONZPG-UHFFFAOYSA-N -1 3 382.279 3.512 20 0 GHADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448011170 872703298 /nfs/dbraw/zinc/70/32/98/872703298.db2.gz PAUVMCSXEBBFOE-MRXNPFEDSA-N -1 3 399.545 3.647 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2F)CC1 ZINC000182875172 872891813 /nfs/dbraw/zinc/89/18/13/872891813.db2.gz QVGFOTVSOMANNM-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](C)c3ccsc3)nc(=O)c2c1C ZINC000619782833 872996629 /nfs/dbraw/zinc/99/66/29/872996629.db2.gz LOONGFXVKPZTAK-WDEREUQCSA-N -1 3 391.518 3.943 20 0 GHADHM Nc1c(F)cnc(Br)c1[N-]C(=O)c1snc(Cl)c1Cl ZINC001196333263 873038702 /nfs/dbraw/zinc/03/87/02/873038702.db2.gz CNYYBSXMLMDCGF-UHFFFAOYSA-N -1 3 386.033 3.581 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1cccc(F)c1)c1cccc(Br)n1 ZINC001196340710 873042915 /nfs/dbraw/zinc/04/29/15/873042915.db2.gz DYLVRBVNDCTHNW-AWEZNQCLSA-N -1 3 399.285 3.803 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(Br)c1 ZINC001196383317 873065925 /nfs/dbraw/zinc/06/59/25/873065925.db2.gz PCUZRXZHLGXKFT-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)n1 ZINC001196438046 873087412 /nfs/dbraw/zinc/08/74/12/873087412.db2.gz MAUSYAUMXAMBQK-UHFFFAOYSA-N -1 3 383.411 3.867 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C2CC2)c(Br)c1 ZINC001196428759 873110679 /nfs/dbraw/zinc/11/06/79/873110679.db2.gz YQKPYQCAVPVXOG-UHFFFAOYSA-N -1 3 375.148 3.716 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C2CC2)c(Br)c1 ZINC001196428759 873110681 /nfs/dbraw/zinc/11/06/81/873110681.db2.gz YQKPYQCAVPVXOG-UHFFFAOYSA-N -1 3 375.148 3.716 20 0 GHADHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000541309176 873333713 /nfs/dbraw/zinc/33/37/13/873333713.db2.gz XJVFRNGBFPUOOW-NSHDSACASA-N -1 3 388.942 3.539 20 0 GHADHM CC(C)c1ccc(-c2cc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)no2)cc1 ZINC001196751974 873351360 /nfs/dbraw/zinc/35/13/60/873351360.db2.gz WBWYFUNFKDSPNX-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM CC(C)c1ccc(-c2cc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)no2)cc1 ZINC001196751974 873351374 /nfs/dbraw/zinc/35/13/74/873351374.db2.gz WBWYFUNFKDSPNX-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001196787584 873359925 /nfs/dbraw/zinc/35/99/25/873359925.db2.gz AGLNMYMPFPHUGO-UHFFFAOYSA-N -1 3 389.370 3.821 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC001196777986 873384358 /nfs/dbraw/zinc/38/43/58/873384358.db2.gz WYTUKWMASGBPHJ-JTQLQIEISA-N -1 3 377.359 3.893 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768628627 873432800 /nfs/dbraw/zinc/43/28/00/873432800.db2.gz ZJARSGTXQGSYAS-GFCCVEGCSA-N -1 3 379.334 3.769 20 0 GHADHM CN(CCc1cccc(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000464244391 873481825 /nfs/dbraw/zinc/48/18/25/873481825.db2.gz DIPBESKNSJQNTL-UHFFFAOYSA-N -1 3 381.245 3.678 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)cc1Cl ZINC001197076453 873582219 /nfs/dbraw/zinc/58/22/19/873582219.db2.gz DMKVDYNSOWALHM-UHFFFAOYSA-N -1 3 396.922 3.608 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1[O-] ZINC000858021391 882739407 /nfs/dbraw/zinc/73/94/07/882739407.db2.gz AUMLJLCNANPCEI-SFHVURJKSA-N -1 3 380.444 3.551 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1Br ZINC000768888751 873648943 /nfs/dbraw/zinc/64/89/43/873648943.db2.gz VTQDLLCLTIXNPX-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768889036 873650130 /nfs/dbraw/zinc/65/01/30/873650130.db2.gz MYXDMIBMQPGJGZ-BQYQJAHWSA-N -1 3 383.853 3.778 20 0 GHADHM Clc1cccc(-c2csc(CN3CC[C@@H](c4nn[n-]n4)C3)n2)c1Cl ZINC001197304434 873694033 /nfs/dbraw/zinc/69/40/33/873694033.db2.gz MLYKYGBEVYHBPI-SECBINFHSA-N -1 3 381.292 3.620 20 0 GHADHM O=C(OCc1nnsc1Cl)c1n[n-]c(-c2ccccc2)c1Br ZINC000769050851 873758365 /nfs/dbraw/zinc/75/83/65/873758365.db2.gz BOWKIIWHCWSONQ-UHFFFAOYSA-N -1 3 399.657 3.701 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1[O-] ZINC000122899846 882756392 /nfs/dbraw/zinc/75/63/92/882756392.db2.gz DABOMCFFFPJDNU-UHFFFAOYSA-N -1 3 384.363 3.946 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(Cl)nc(C(F)(F)F)c1 ZINC001197566242 873905351 /nfs/dbraw/zinc/90/53/51/873905351.db2.gz BOEYVWFQFDEAAP-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CC(C)(C)c1cc2ncc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cn2n1 ZINC001197650079 873947510 /nfs/dbraw/zinc/94/75/10/873947510.db2.gz ZRXWACSRBNFSET-UHFFFAOYSA-N -1 3 396.875 3.761 20 0 GHADHM CCCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 ZINC001197684531 873978718 /nfs/dbraw/zinc/97/87/18/873978718.db2.gz BLEYZKPNUANZHU-UHFFFAOYSA-N -1 3 385.844 3.988 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccncc1C(F)(F)F ZINC001197715390 873998299 /nfs/dbraw/zinc/99/82/99/873998299.db2.gz APVSXEDRTKWGAB-UHFFFAOYSA-N -1 3 385.194 3.771 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(OC)c1Cl ZINC001197896059 874095438 /nfs/dbraw/zinc/09/54/38/874095438.db2.gz HAHYBZPXAJBRKM-UHFFFAOYSA-N -1 3 398.868 3.507 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1Cl ZINC001197897561 874095676 /nfs/dbraw/zinc/09/56/76/874095676.db2.gz FMQWWZZZNIDVAJ-UHFFFAOYSA-N -1 3 398.868 3.512 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000769559851 874158809 /nfs/dbraw/zinc/15/88/09/874158809.db2.gz CPYALRFEAWNQSN-OIISXLGYSA-N -1 3 392.471 3.716 20 0 GHADHM COc1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)c(Br)c1 ZINC001198073453 874197480 /nfs/dbraw/zinc/19/74/80/874197480.db2.gz KYCUFRBXEFBBDG-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC3(C)CCCC3)c2)c1 ZINC000769726890 874255108 /nfs/dbraw/zinc/25/51/08/874255108.db2.gz KOOUGMBNFIHJPG-UHFFFAOYSA-N -1 3 398.459 3.724 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1cccc(Cl)n1 ZINC001198260145 874291771 /nfs/dbraw/zinc/29/17/71/874291771.db2.gz RVSNNLUEUJJZJB-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM C[C@H]1c2ccccc2OCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640304041 882815881 /nfs/dbraw/zinc/81/58/81/882815881.db2.gz YZNIHHHRBCFLBO-JTQLQIEISA-N -1 3 388.777 3.508 20 0 GHADHM COc1cccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1OC ZINC000004485770 874457138 /nfs/dbraw/zinc/45/71/38/874457138.db2.gz LEHGHRNNKFHNHU-SNVBAGLBSA-N -1 3 388.445 3.537 20 0 GHADHM O=C(CCC1(CC(=O)Nc2ncccc2[O-])CCCCC1)Nc1ncccc1O ZINC000449107784 874482356 /nfs/dbraw/zinc/48/23/56/874482356.db2.gz NWFANQJJVYXQNK-UHFFFAOYSA-N -1 3 398.463 3.586 20 0 GHADHM O=C(CCC1(CC(=O)Nc2ncccc2O)CCCCC1)Nc1ncccc1[O-] ZINC000449107784 874482363 /nfs/dbraw/zinc/48/23/63/874482363.db2.gz NWFANQJJVYXQNK-UHFFFAOYSA-N -1 3 398.463 3.586 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(C)cc(Cl)nc1Cl ZINC001198659971 874548868 /nfs/dbraw/zinc/54/88/68/874548868.db2.gz QQHAYGBCMKJYEQ-UHFFFAOYSA-N -1 3 382.656 3.555 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001198710430 874600820 /nfs/dbraw/zinc/60/08/20/874600820.db2.gz RABSLVKPNJJJRR-VIFPVBQESA-N -1 3 394.802 3.802 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC(C)(C)C)c2)c(C)c1 ZINC001198941547 874720424 /nfs/dbraw/zinc/72/04/24/874720424.db2.gz FYPSZTORYIEIOC-UHFFFAOYSA-N -1 3 377.462 3.760 20 0 GHADHM CCCC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCC1 ZINC000464912227 874767458 /nfs/dbraw/zinc/76/74/58/874767458.db2.gz USYSWYYKAILXOA-INIZCTEOSA-N -1 3 397.541 3.937 20 0 GHADHM O=S(=O)([N-]Cc1cc(C(F)F)on1)c1cc(Cl)ccc1C(F)(F)F ZINC000921336213 882868020 /nfs/dbraw/zinc/86/80/20/882868020.db2.gz GBTVUDLBKYVDNE-UHFFFAOYSA-N -1 3 390.717 3.763 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000770708314 874845040 /nfs/dbraw/zinc/84/50/40/874845040.db2.gz FAOXOGRKAATRBE-YMTOWFKASA-N -1 3 393.267 3.582 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cncc(OC(F)F)c2)c([O-])c1 ZINC001199298121 874894243 /nfs/dbraw/zinc/89/42/43/874894243.db2.gz KGHCSKQUKBJHOG-UHFFFAOYSA-N -1 3 380.347 3.596 20 0 GHADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465029391 874971408 /nfs/dbraw/zinc/97/14/08/874971408.db2.gz QLVJKZZDBGHDHU-KDOFPFPSSA-N -1 3 390.480 3.935 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000115910261 882883801 /nfs/dbraw/zinc/88/38/01/882883801.db2.gz NLKCXPHSIWBFLV-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1nccc(-c2cccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2)n1 ZINC000178486261 882896465 /nfs/dbraw/zinc/89/64/65/882896465.db2.gz AFWZZZGOWVXDNY-UHFFFAOYSA-N -1 3 388.402 3.993 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(C(F)(F)F)cs1 ZINC000465190484 875276265 /nfs/dbraw/zinc/27/62/65/875276265.db2.gz AAZCEGSCDUHFKF-JTQLQIEISA-N -1 3 381.379 3.885 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(Cc2cccnc2)CC1 ZINC000528953578 875328440 /nfs/dbraw/zinc/32/84/40/875328440.db2.gz LYTHSBGKSCBAHV-UHFFFAOYSA-N -1 3 375.266 3.645 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1)C(F)(F)F ZINC000771603761 875341191 /nfs/dbraw/zinc/34/11/91/875341191.db2.gz FQQLNEKFDIYMLW-UHFFFAOYSA-N -1 3 384.379 3.866 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccccc2)CCCCC1 ZINC000776117424 875362215 /nfs/dbraw/zinc/36/22/15/875362215.db2.gz NSDKMSCIUFTHNV-UHFFFAOYSA-N -1 3 381.402 3.525 20 0 GHADHM Cc1cnccc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001201072745 875510796 /nfs/dbraw/zinc/51/07/96/875510796.db2.gz IAENUAXZAKSXAK-HNNXBMFYSA-N -1 3 399.285 3.721 20 0 GHADHM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1OC ZINC001201244874 875575912 /nfs/dbraw/zinc/57/59/12/875575912.db2.gz ZWSRXMWZIMDAAZ-UHFFFAOYSA-N -1 3 394.251 3.628 20 0 GHADHM Cc1ncc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000771972836 875585800 /nfs/dbraw/zinc/58/58/00/875585800.db2.gz ZJFZLLYHUWNCPO-UHFFFAOYSA-N -1 3 384.832 3.645 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3cc(Br)cn3C)cc(=O)oc12 ZINC000151585892 875630743 /nfs/dbraw/zinc/63/07/43/875630743.db2.gz JUIRHJKOYKCXEI-UHFFFAOYSA-N -1 3 391.265 3.540 20 0 GHADHM Cc1scnc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000529144417 875688191 /nfs/dbraw/zinc/68/81/91/875688191.db2.gz OCTDWBHRFZTQIA-UHFFFAOYSA-N -1 3 394.884 3.693 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCCCCCC2)c(F)c1 ZINC000772112313 875704194 /nfs/dbraw/zinc/70/41/94/875704194.db2.gz KZVUREZKRADWKE-AWEZNQCLSA-N -1 3 387.377 3.973 20 0 GHADHM CS(=O)(=O)c1ccc([O-])c(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201478053 875731537 /nfs/dbraw/zinc/73/15/37/875731537.db2.gz SQJCSIZNVZTNSP-MSOLQXFVSA-N -1 3 384.501 3.528 20 0 GHADHM O=S(=O)([N-]Cc1sccc1Cl)c1cccc(F)c1Br ZINC001201790323 875885342 /nfs/dbraw/zinc/88/53/42/875885342.db2.gz QQSFLRRCQJOIHV-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1Br)c1c(F)cccc1F ZINC001201792960 875860503 /nfs/dbraw/zinc/86/05/03/875860503.db2.gz WHTACXNYVYNZDJ-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1cccc(F)c1Br ZINC001201782628 875880011 /nfs/dbraw/zinc/88/00/11/875880011.db2.gz KMWBWAGMOPPGNG-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccccc21)c1ncccc1OCc1ccccc1 ZINC001201898159 875912939 /nfs/dbraw/zinc/91/29/39/875912939.db2.gz LFDOCGAHMXUSRG-IBGZPJMESA-N -1 3 380.469 3.626 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cs1 ZINC000172777853 875914662 /nfs/dbraw/zinc/91/46/62/875914662.db2.gz AXNWIASDPAQQPF-ZDUSSCGKSA-N -1 3 399.520 3.585 20 0 GHADHM COc1ccc2oc(C(=O)OCc3noc(-c4ccccc4[O-])n3)c(C)c2c1 ZINC000776242741 876006466 /nfs/dbraw/zinc/00/64/66/876006466.db2.gz LLBIEQZWHWYHMK-UHFFFAOYSA-N -1 3 380.356 3.862 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000529405509 876085378 /nfs/dbraw/zinc/08/53/78/876085378.db2.gz YGYPPGXORRHWKJ-INIZCTEOSA-N -1 3 380.238 3.569 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000173086688 876158793 /nfs/dbraw/zinc/15/87/93/876158793.db2.gz OCQKNVZNKHKZHZ-UHFFFAOYSA-N -1 3 390.358 3.777 20 0 GHADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179654419 883016334 /nfs/dbraw/zinc/01/63/34/883016334.db2.gz SQLZILFNESCPAS-CYBMUJFWSA-N -1 3 383.286 3.520 20 0 GHADHM O=C(OCc1nc(-c2cc(Br)cs2)no1)c1cc2occc2[n-]1 ZINC000786033316 876420034 /nfs/dbraw/zinc/42/00/34/876420034.db2.gz ZQHHTCXDIOPPKR-UHFFFAOYSA-N -1 3 394.206 3.992 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1C(C)C ZINC000193446142 876546401 /nfs/dbraw/zinc/54/64/01/876546401.db2.gz XQDAEMVGBFCESI-DEOSSOPVSA-N -1 3 381.519 3.665 20 0 GHADHM CSCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000109234684 876789217 /nfs/dbraw/zinc/78/92/17/876789217.db2.gz DNGXYFLBXVJZGX-UHFFFAOYSA-N -1 3 396.509 3.628 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000786863101 876989449 /nfs/dbraw/zinc/98/94/49/876989449.db2.gz PPWZRMFFZKHFRR-WMLDXEAASA-N -1 3 376.497 3.863 20 0 GHADHM CCc1nc(CN[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)co1 ZINC000858423459 883085712 /nfs/dbraw/zinc/08/57/12/883085712.db2.gz HPQRFCLYDDOICL-OAHLLOKOSA-N -1 3 385.489 3.889 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@H]2NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000850576232 877044258 /nfs/dbraw/zinc/04/42/58/877044258.db2.gz JMVTVRJOWMEBSW-WMLDXEAASA-N -1 3 398.507 3.853 20 0 GHADHM O=c1[n-]c(CN2CCC(F)(c3cccnc3)CC2)nc2c3ccccc3oc21 ZINC000551443876 877208384 /nfs/dbraw/zinc/20/83/84/877208384.db2.gz WCCVLXIUHOTNKR-UHFFFAOYSA-N -1 3 378.407 3.937 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1)c1ccc(C)o1 ZINC000746671933 877320146 /nfs/dbraw/zinc/32/01/46/877320146.db2.gz NGXHAQNBVMMLJH-LBPRGKRZSA-N -1 3 386.882 3.517 20 0 GHADHM NC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000175026334 877412428 /nfs/dbraw/zinc/41/24/28/877412428.db2.gz OKDBSJHIDXYKCT-UHFFFAOYSA-N -1 3 386.404 3.518 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(CSC2CCCC2)c1 ZINC000610140158 877426092 /nfs/dbraw/zinc/42/60/92/877426092.db2.gz OHEGRGNQNSOTRL-UHFFFAOYSA-N -1 3 384.501 3.937 20 0 GHADHM COC(=O)C12CCC(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)(CC1)CC2 ZINC000451128024 877429682 /nfs/dbraw/zinc/42/96/82/877429682.db2.gz WDIIUHFAVLXEAZ-UHFFFAOYSA-N -1 3 394.431 3.670 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000136993899 877481075 /nfs/dbraw/zinc/48/10/75/877481075.db2.gz RFISNPVSNXBVCH-NRFANRHFSA-N -1 3 385.427 3.549 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000136993899 877481081 /nfs/dbraw/zinc/48/10/81/877481081.db2.gz RFISNPVSNXBVCH-NRFANRHFSA-N -1 3 385.427 3.549 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2OC(C)C)c1Cl ZINC000615238889 877496359 /nfs/dbraw/zinc/49/63/59/877496359.db2.gz FBGIQEMGGZANLD-UHFFFAOYSA-N -1 3 389.304 3.963 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000137057207 877497736 /nfs/dbraw/zinc/49/77/36/877497736.db2.gz VAJNHXCCQKURQE-AWEZNQCLSA-N -1 3 393.484 3.607 20 0 GHADHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)[N-]OC1CCOCC1 ZINC000772704393 877513195 /nfs/dbraw/zinc/51/31/95/877513195.db2.gz ALCVJJZVTSQWMJ-UHFFFAOYSA-N -1 3 375.852 3.688 20 0 GHADHM O=C(OCC[C@@H]1CC1(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000851375301 877632379 /nfs/dbraw/zinc/63/23/79/877632379.db2.gz HYCJCSRGFWYFBN-CYBMUJFWSA-N -1 3 399.390 3.829 20 0 GHADHM O=[S@@](Cc1cccc(NCc2c(F)ccc([O-])c2F)c1)C1CCOCC1 ZINC000509471471 877638302 /nfs/dbraw/zinc/63/83/02/877638302.db2.gz PPDRRLONQUQGOT-SANMLTNESA-N -1 3 381.444 3.710 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1noc(-c2ccc(F)cc2F)n1 ZINC000787842872 877662458 /nfs/dbraw/zinc/66/24/58/877662458.db2.gz DNTVXVLMZVMULU-UHFFFAOYSA-N -1 3 392.333 3.926 20 0 GHADHM O=C([N-]c1cc(Br)cnc1Cl)c1cc(-c2ccccn2)no1 ZINC000787952612 877731226 /nfs/dbraw/zinc/73/12/26/877731226.db2.gz NPMMBNFHCIMCAT-UHFFFAOYSA-N -1 3 379.601 3.800 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000788204728 877911708 /nfs/dbraw/zinc/91/17/08/877911708.db2.gz IVCOULKXQBJFME-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Br)cnc1Cl ZINC000110230856 877922337 /nfs/dbraw/zinc/92/23/37/877922337.db2.gz IDFMQCIHGWYNNZ-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788290448 877998475 /nfs/dbraw/zinc/99/84/75/877998475.db2.gz NCTROKBTFVHYKV-UHFFFAOYSA-N -1 3 376.478 3.690 20 0 GHADHM 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GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccnc(Br)c1 ZINC000792484277 881140456 /nfs/dbraw/zinc/14/04/56/881140456.db2.gz AVZNFCPSRATDEY-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccnc(Br)c1 ZINC000792484277 881140461 /nfs/dbraw/zinc/14/04/61/881140461.db2.gz AVZNFCPSRATDEY-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)sc1Cc1ccccc1 ZINC000612663338 881149834 /nfs/dbraw/zinc/14/98/34/881149834.db2.gz OEUQNIWOAABCRB-UHFFFAOYSA-N -1 3 382.489 3.726 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1)C1CC1 ZINC001183598742 912674444 /nfs/dbraw/zinc/67/44/44/912674444.db2.gz BXSXRNRDHZXWBG-UHFFFAOYSA-N -1 3 375.428 3.604 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757245 883157363 /nfs/dbraw/zinc/15/73/63/883157363.db2.gz ALTNHVKZYUQZBQ-VIFPVBQESA-N -1 3 382.247 3.774 20 0 GHADHM COc1cccc(-c2nsc([N-]C(=O)c3ncccc3Br)n2)c1 ZINC000193216703 883169005 /nfs/dbraw/zinc/16/90/05/883169005.db2.gz 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3 385.817 3.779 20 0 GHADHM CCCS(=O)(=O)Nc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459358700 887660469 /nfs/dbraw/zinc/66/04/69/887660469.db2.gz SVIWRIRZQATCGO-UHFFFAOYSA-N -1 3 399.310 3.919 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000459366995 887746551 /nfs/dbraw/zinc/74/65/51/887746551.db2.gz URIFWPWEQWAJAF-HNNXBMFYSA-N -1 3 397.479 3.598 20 0 GHADHM Cc1nc2ccc(CN3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)cc2s1 ZINC000809770150 887758967 /nfs/dbraw/zinc/75/89/67/887758967.db2.gz ZZUQBLLSMCBFAK-MMPTUQATSA-N -1 3 385.455 3.882 20 0 GHADHM COc1ccc(C[C@@H](CNCc2nc(C(C)(C)C)cs2)C(=O)[O-])cc1F ZINC000864531567 887834489 /nfs/dbraw/zinc/83/44/89/887834489.db2.gz GZIHAROLSWGCHV-ZDUSSCGKSA-N -1 3 380.485 3.621 20 0 GHADHM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc21 ZINC000134446052 887874656 /nfs/dbraw/zinc/87/46/56/887874656.db2.gz PPCXCJCYLYBWTL-UHFFFAOYSA-N -1 3 382.844 3.579 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)c1 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20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001184529111 913263033 /nfs/dbraw/zinc/26/30/33/913263033.db2.gz OKDWOHJHMYYYNZ-UHFFFAOYSA-N -1 3 382.309 3.533 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000866596978 888958731 /nfs/dbraw/zinc/95/87/31/888958731.db2.gz MFQZDKCZZJADJR-IPOQPSJVSA-N -1 3 376.884 3.515 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000532800782 888969751 /nfs/dbraw/zinc/96/97/51/888969751.db2.gz FCKUALFNTYLYQX-UHFFFAOYSA-N -1 3 384.457 3.878 20 0 GHADHM O=c1[n-]c(CN[C@@H](c2ccc3ccccc3c2)C(F)(F)F)nc2c1COCC2 ZINC000866630427 888984888 /nfs/dbraw/zinc/98/48/88/888984888.db2.gz PNUXDNQAMBFVJA-SFHVURJKSA-N -1 3 389.377 3.801 20 0 GHADHM O=C(CCCc1ccc(Cl)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810897640 889006645 /nfs/dbraw/zinc/00/66/45/889006645.db2.gz LDHJHUMJGNOCKK-CQSZACIVSA-N -1 3 390.833 3.580 20 0 GHADHM CC(=O)c1sc(NC=C2C(=O)[N-]C(=O)c3ccccc32)nc1-c1ccccc1 ZINC000016719999 889133704 /nfs/dbraw/zinc/13/37/04/889133704.db2.gz HFXBKYXDNQAPDA-LFIBNONCSA-N -1 3 389.436 3.736 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000124012272 889481021 /nfs/dbraw/zinc/48/10/21/889481021.db2.gz FMEZABKWIMZWHR-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)Nc1cccc2nsnc21 ZINC000811394319 889533206 /nfs/dbraw/zinc/53/32/06/889533206.db2.gz AUHLYKMJOYOLJJ-UHFFFAOYSA-N -1 3 392.849 3.683 20 0 GHADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000811393683 889534404 /nfs/dbraw/zinc/53/44/04/889534404.db2.gz CNFXKUVCNOEIRE-VIFPVBQESA-N -1 3 380.828 3.884 20 0 GHADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC(=O)Nc1ccccc1 ZINC000811393912 889534530 /nfs/dbraw/zinc/53/45/30/889534530.db2.gz HNKYQZXHTLOFDR-VIFPVBQESA-N -1 3 391.836 3.776 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000811393817 889534627 /nfs/dbraw/zinc/53/46/27/889534627.db2.gz FCIKNLVIAXTQFD-VIFPVBQESA-N -1 3 394.802 3.841 20 0 GHADHM CCOC(=O)[C@]1(CCOC(=O)c2cc3cc(Cl)sc3[n-]2)CCCC1=O ZINC000811394670 889536341 /nfs/dbraw/zinc/53/63/41/889536341.db2.gz XJHOUUBQHZZXRF-KRWDZBQOSA-N -1 3 383.853 3.732 20 0 GHADHM COc1ccccc1N1CC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1=O ZINC000811396215 889537569 /nfs/dbraw/zinc/53/75/69/889537569.db2.gz MVOLGRYGHCSGQZ-CQSZACIVSA-N -1 3 390.848 3.854 20 0 GHADHM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000533119278 889817770 /nfs/dbraw/zinc/81/77/70/889817770.db2.gz FVFNEOKMWYBIIE-PXAZEXFGSA-N -1 3 385.407 3.550 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2NCc2ccccc2)c(=O)[n-]1 ZINC000125054779 889860698 /nfs/dbraw/zinc/86/06/98/889860698.db2.gz POBNOTHUMXJSAK-UHFFFAOYSA-N -1 3 396.878 3.833 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)s1 ZINC000125118860 889881249 /nfs/dbraw/zinc/88/12/49/889881249.db2.gz BRIIQFBJOXCDCO-UHFFFAOYSA-N -1 3 390.900 3.984 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)n1 ZINC000125262337 889928687 /nfs/dbraw/zinc/92/86/87/889928687.db2.gz HMKIXXWFLKERBA-UHFFFAOYSA-N -1 3 376.338 3.861 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOC4(CCSCC4)C3)nc2)n1 ZINC000533228540 890064227 /nfs/dbraw/zinc/06/42/27/890064227.db2.gz VPMRGFRGSMKTOU-MRXNPFEDSA-N -1 3 386.521 3.663 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)C1)C(F)(F)F ZINC000811874793 890068685 /nfs/dbraw/zinc/06/86/85/890068685.db2.gz PINXIOKOMBYFQD-PBHICJAKSA-N -1 3 397.441 3.628 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000916832212 890249865 /nfs/dbraw/zinc/24/98/65/890249865.db2.gz MJIRAFXSBAVVCS-OTWHNJEPSA-N -1 3 386.448 3.573 20 0 GHADHM O=S(=O)([N-]CC[C@@H](O)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000123155676 890370901 /nfs/dbraw/zinc/37/09/01/890370901.db2.gz FDACVCPGADEWCO-CQSZACIVSA-N -1 3 393.814 3.761 20 0 GHADHM CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000126235805 890438520 /nfs/dbraw/zinc/43/85/20/890438520.db2.gz QTNWCQQTLZADCT-HOTGVXAUSA-N -1 3 397.313 3.644 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126292495 890459010 /nfs/dbraw/zinc/45/90/10/890459010.db2.gz BVJFSWXAUIWSAE-CHWSQXEVSA-N -1 3 387.343 3.970 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1F ZINC000126450507 890540936 /nfs/dbraw/zinc/54/09/36/890540936.db2.gz GELMFAYHTSXZFV-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1cc(Br)ccc1[O-] ZINC000126478447 890554893 /nfs/dbraw/zinc/55/48/93/890554893.db2.gz UPMSSAKCKJCHLO-UHFFFAOYSA-N -1 3 389.249 3.684 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)ccc2F)c1 ZINC000065636198 890576631 /nfs/dbraw/zinc/57/66/31/890576631.db2.gz MULQFSNWZASDCB-UHFFFAOYSA-N -1 3 395.228 3.524 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(N2CCCC2=O)ccc1F ZINC000126578922 890598642 /nfs/dbraw/zinc/59/86/42/890598642.db2.gz QRWAWMDAGFONJO-UHFFFAOYSA-N -1 3 393.212 3.673 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(C)C)c1 ZINC000065737147 890624296 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GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cncc(Br)c1 ZINC000127147825 890917870 /nfs/dbraw/zinc/91/78/70/890917870.db2.gz ALARVAJNCCPMRB-UHFFFAOYSA-N -1 3 395.200 3.805 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2nc(C)c(-c3ccc(Cl)cc3)o2)s1 ZINC000533635063 891000156 /nfs/dbraw/zinc/00/01/56/891000156.db2.gz HRMUHZIHTZVFPO-UHFFFAOYSA-N -1 3 383.882 3.547 20 0 GHADHM COc1ccc(CCC(=O)[N-]OCc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000871797941 891017569 /nfs/dbraw/zinc/01/75/69/891017569.db2.gz KDNSHUBKLWLWMX-UHFFFAOYSA-N -1 3 396.487 3.502 20 0 GHADHM C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([O-])c1F ZINC000872019375 891117774 /nfs/dbraw/zinc/11/77/74/891117774.db2.gz VYHSJVASXNHGCY-OAHLLOKOSA-N -1 3 392.496 3.557 20 0 GHADHM CCO[C@H](CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825576635 891155295 /nfs/dbraw/zinc/15/52/95/891155295.db2.gz MHHJCLZZPFQAIF-IFXJQAMLSA-N -1 3 379.464 3.526 20 0 GHADHM CCO[C@H](CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825576635 891155302 /nfs/dbraw/zinc/15/53/02/891155302.db2.gz MHHJCLZZPFQAIF-IFXJQAMLSA-N -1 3 379.464 3.526 20 0 GHADHM O=C([O-])[C@@H]1CN(CCCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872167985 891192384 /nfs/dbraw/zinc/19/23/84/891192384.db2.gz KVKFLEJMCHITDG-VXGBXAGGSA-N -1 3 380.204 3.577 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000872988313 891411877 /nfs/dbraw/zinc/41/18/77/891411877.db2.gz OAULBZHXNZAXHY-UYAOXDASSA-N -1 3 384.520 3.945 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)c3ccc(Cl)cc3)c2)n1 ZINC000813414008 891592270 /nfs/dbraw/zinc/59/22/70/891592270.db2.gz RGYOLYJFSPYQGH-GOSISDBHSA-N -1 3 383.835 3.737 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C)cc1F)Cc1ccccc1 ZINC001185010177 913575714 /nfs/dbraw/zinc/57/57/14/913575714.db2.gz FOSRJTPFILIUNF-QGZVFWFLSA-N -1 3 396.503 3.505 20 0 GHADHM Cn1cc(-c2nc3ccccn3c2NC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC000813478640 891679130 /nfs/dbraw/zinc/67/91/30/891679130.db2.gz JMHUQZFZGJOWFF-UHFFFAOYSA-N -1 3 389.440 3.907 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)n1 ZINC001185021917 913583268 /nfs/dbraw/zinc/58/32/68/913583268.db2.gz OEPKAHXAOGPMLN-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM Cc1c(Cl)c(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)nc2ccccc12 ZINC000873644490 891721750 /nfs/dbraw/zinc/72/17/50/891721750.db2.gz PJZYTSHROSDISX-CABCVRRESA-N -1 3 398.894 3.620 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873645109 891723298 /nfs/dbraw/zinc/72/32/98/891723298.db2.gz UBXPHQLSZDGYCK-FRRDWIJNSA-N -1 3 382.291 3.978 20 0 GHADHM COc1cc(C(=O)NCC(c2ccccc2)c2ccccc2)cc(OC)c1[O-] ZINC000161639524 891767392 /nfs/dbraw/zinc/76/73/92/891767392.db2.gz ZILOYGQHGCPFAF-UHFFFAOYSA-N -1 3 377.440 3.971 20 0 GHADHM COc1cc(C(C)=O)ccc1OCCCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497570622 891911491 /nfs/dbraw/zinc/91/14/91/891911491.db2.gz GHHNRLJQBUXLIB-UHFFFAOYSA-N -1 3 393.443 3.508 20 0 GHADHM CC(C)NC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000162004290 891917669 /nfs/dbraw/zinc/91/76/69/891917669.db2.gz BTKJOLFWWAFOFU-UHFFFAOYSA-N -1 3 377.238 3.545 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)cc1F ZINC000813745727 891949108 /nfs/dbraw/zinc/94/91/08/891949108.db2.gz HVSALOWSKAIDRA-UHFFFAOYSA-N -1 3 393.871 3.667 20 0 GHADHM Cc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)cc1F ZINC001212098119 891970290 /nfs/dbraw/zinc/97/02/90/891970290.db2.gz ZFZJYPJXJOYKEG-KRWDZBQOSA-N -1 3 395.390 3.629 20 0 GHADHM CCc1cccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1 ZINC001212098040 891971204 /nfs/dbraw/zinc/97/12/04/891971204.db2.gz VOTWYAVZOISNPI-SFHVURJKSA-N -1 3 391.427 3.744 20 0 GHADHM CCc1ccsc1C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825734842 892122412 /nfs/dbraw/zinc/12/24/12/892122412.db2.gz NLDBDFWZMJSFPX-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM O=C(c1ccc([O-])cc1Cl)N1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001272108686 892159677 /nfs/dbraw/zinc/15/96/77/892159677.db2.gz UEPPRSCEZMKEQN-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(Br)cc4cccnc43)n[n-]2)o1 ZINC000497736629 892290819 /nfs/dbraw/zinc/29/08/19/892290819.db2.gz QHDHLILEGWWKEX-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000875166294 892475741 /nfs/dbraw/zinc/47/57/41/892475741.db2.gz UNOUURVSFQZVKT-FPLPWBNLSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000875166294 892475749 /nfs/dbraw/zinc/47/57/49/892475749.db2.gz UNOUURVSFQZVKT-FPLPWBNLSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1cc(Br)cn2c(CN3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cnc12 ZINC000263512348 892583289 /nfs/dbraw/zinc/58/32/89/892583289.db2.gz NTGCACUDSYRQON-WQVCFCJDSA-N -1 3 392.297 3.623 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(COc3ccccc3)c2)c(=O)[n-]1 ZINC000917854323 892695163 /nfs/dbraw/zinc/69/51/63/892695163.db2.gz FRZZBPSLGISPGS-UHFFFAOYSA-N -1 3 377.444 3.949 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-][C@@H](Cc1ccccc1)c1nccs1 ZINC001185171114 913700256 /nfs/dbraw/zinc/70/02/56/913700256.db2.gz YCZMPFGKZPCFAI-KRWDZBQOSA-N -1 3 394.468 3.825 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c[n-]1 ZINC000814530676 892832127 /nfs/dbraw/zinc/83/21/27/892832127.db2.gz XOTVVFNTZHXEBT-UHFFFAOYSA-N -1 3 394.305 3.832 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](C)CC3)nc(=O)c2c1C ZINC000068838059 892832395 /nfs/dbraw/zinc/83/23/95/892832395.db2.gz GZGQYTCGPUCKAK-AAEUAGOBSA-N -1 3 377.510 3.653 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCCC1 ZINC000825820966 892835878 /nfs/dbraw/zinc/83/58/78/892835878.db2.gz ZFHSHMMKRJRMTQ-UHFFFAOYSA-N -1 3 399.442 3.769 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCCC1 ZINC000825820966 892835898 /nfs/dbraw/zinc/83/58/98/892835898.db2.gz ZFHSHMMKRJRMTQ-UHFFFAOYSA-N -1 3 399.442 3.769 20 0 GHADHM C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cccc([O-])c3Cl)c2)C1=O ZINC000645178653 913731473 /nfs/dbraw/zinc/73/14/73/913731473.db2.gz XFVJEKOPIULQSD-OAQYLSRUSA-N -1 3 399.878 3.560 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1ccc(-c2cnco2)cc1 ZINC001185221181 913738229 /nfs/dbraw/zinc/73/82/29/913738229.db2.gz KEBVRPVHJJQULT-UHFFFAOYSA-N -1 3 395.234 3.611 20 0 GHADHM COc1cnc([C@H]2CCCN2CCCC(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000934272305 893513005 /nfs/dbraw/zinc/51/30/05/893513005.db2.gz CHRGNOKAIUQFJY-QGZVFWFLSA-N -1 3 398.507 3.672 20 0 GHADHM CC(C)C[C@@H](NCc1cccc([O-])c1Br)C(=O)Nc1nccs1 ZINC000459448405 893540364 /nfs/dbraw/zinc/54/03/64/893540364.db2.gz XXPAMHYVJQCOSD-GFCCVEGCSA-N -1 3 398.326 3.754 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@@H]1c1ccccc1 ZINC000563288950 893566095 /nfs/dbraw/zinc/56/60/95/893566095.db2.gz ADENHYUMCSGCFA-HZPDHXFCSA-N -1 3 378.241 3.888 20 0 GHADHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934361192 893572081 /nfs/dbraw/zinc/57/20/81/893572081.db2.gz AWKQFVHRLMQMAL-NXEZZACHSA-N -1 3 388.336 3.905 20 0 GHADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459478721 893588646 /nfs/dbraw/zinc/58/86/46/893588646.db2.gz KQCBYZGMGLKAPL-OAHLLOKOSA-N -1 3 390.491 3.675 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1=O ZINC000815231424 893590122 /nfs/dbraw/zinc/59/01/22/893590122.db2.gz ZESPQSZHSLCTDB-BDJLRTHQSA-N -1 3 377.799 3.704 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000129579078 893663953 /nfs/dbraw/zinc/66/39/53/893663953.db2.gz APBUEEOZWYWKDB-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM CN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1Cl ZINC000825981064 893709114 /nfs/dbraw/zinc/70/91/14/893709114.db2.gz NOBUUVZYRSODHY-UHFFFAOYSA-N -1 3 393.882 3.553 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2cccc([O-])c2Br)[C@@H]1n1cccn1 ZINC000459573513 893842959 /nfs/dbraw/zinc/84/29/59/893842959.db2.gz RAIDQFPKNYORRL-LXZKKBNFSA-N -1 3 394.313 3.638 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccsc1 ZINC001185345322 913826533 /nfs/dbraw/zinc/82/65/33/913826533.db2.gz MLSNKQCLAAWYEK-GFCCVEGCSA-N -1 3 378.466 3.640 20 0 GHADHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c2ccccn2)c1 ZINC000129909084 894048723 /nfs/dbraw/zinc/04/87/23/894048723.db2.gz PWIDMZAGIAYSPN-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NOC1CCCC1 ZINC000774866202 913832556 /nfs/dbraw/zinc/83/25/56/913832556.db2.gz RYRZYARBRXAJHI-UHFFFAOYSA-N -1 3 392.452 3.539 20 0 GHADHM COC[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1cccc(C(F)(F)F)c1 ZINC000878365806 894230233 /nfs/dbraw/zinc/23/02/33/894230233.db2.gz SLRYYLCYYBGQAZ-HNNXBMFYSA-N -1 3 393.365 3.938 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1cc([O-])ccc1Cl ZINC000815831665 894243495 /nfs/dbraw/zinc/24/34/95/894243495.db2.gz PCRTULBJHGOJFA-IBGZPJMESA-N -1 3 387.863 3.873 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OC(F)(F)F)nc21 ZINC000537123838 894345535 /nfs/dbraw/zinc/34/55/35/894345535.db2.gz KXWIZPJIRJHOSM-UHFFFAOYSA-N -1 3 379.294 3.500 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)c[n-]1 ZINC000815950495 894354546 /nfs/dbraw/zinc/35/45/46/894354546.db2.gz YZVDYBNKXCXSIY-ZDUSSCGKSA-N -1 3 375.730 3.785 20 0 GHADHM Cc1ccc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC000816425544 894801745 /nfs/dbraw/zinc/80/17/45/894801745.db2.gz CUJUUJGVAUGFFU-UHFFFAOYSA-N -1 3 389.404 3.885 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c([O-])c1 ZINC001135585506 894824038 /nfs/dbraw/zinc/82/40/38/894824038.db2.gz TUDKVYFNDJQDGV-UHFFFAOYSA-N -1 3 396.468 3.778 20 0 GHADHM C[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCO1 ZINC000537388042 894878973 /nfs/dbraw/zinc/87/89/73/894878973.db2.gz ATDYDYWIFBIFPO-VHSXEESVSA-N -1 3 398.688 3.668 20 0 GHADHM COc1ccc(OC)c(-c2csc([N-]C(=O)c3c(F)ccnc3F)n2)c1 ZINC000816832639 895093100 /nfs/dbraw/zinc/09/31/00/895093100.db2.gz IBCKCXQOLVSJQZ-UHFFFAOYSA-N -1 3 377.372 3.753 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)s1 ZINC001185533476 913938025 /nfs/dbraw/zinc/93/80/25/913938025.db2.gz WCERGAKJKFPRMH-UHFFFAOYSA-N -1 3 388.514 3.763 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(Cl)n1 ZINC000760325422 895199976 /nfs/dbraw/zinc/19/99/76/895199976.db2.gz MYNWLDZIHGGSTQ-UHFFFAOYSA-N -1 3 397.667 3.860 20 0 GHADHM CC(C)Oc1ccc([C@H](O)CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000816927318 895219072 /nfs/dbraw/zinc/21/90/72/895219072.db2.gz VNIHMGQLVGYWEF-QGZVFWFLSA-N -1 3 383.366 3.662 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OCCC3CC3)C2)c2ccccc12 ZINC000817446159 895642336 /nfs/dbraw/zinc/64/23/36/895642336.db2.gz IQBVCSSOZOJJNW-QGZVFWFLSA-N -1 3 396.487 3.549 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2csc(Cc3ccccc3)n2)C1 ZINC000565722086 895831568 /nfs/dbraw/zinc/83/15/68/895831568.db2.gz FLBDJIJULBEKEO-QFIPXVFZSA-N -1 3 378.497 3.962 20 0 GHADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(N)cc2[O-])cc1Cl ZINC000817913833 895959057 /nfs/dbraw/zinc/95/90/57/895959057.db2.gz MOSNQYXJIRFOET-GFCCVEGCSA-N -1 3 387.867 3.895 20 0 GHADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826191277 896012535 /nfs/dbraw/zinc/01/25/35/896012535.db2.gz BMFDYXSZYWNNMS-CQSZACIVSA-N -1 3 394.479 3.526 20 0 GHADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826191277 896012548 /nfs/dbraw/zinc/01/25/48/896012548.db2.gz BMFDYXSZYWNNMS-CQSZACIVSA-N -1 3 394.479 3.526 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H]1CCC[C@H](C)C1 ZINC000818803985 896244490 /nfs/dbraw/zinc/24/44/90/896244490.db2.gz YVJVKFMAYSCGBR-HOCLYGCPSA-N -1 3 384.517 3.555 20 0 GHADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826215382 896384036 /nfs/dbraw/zinc/38/40/36/896384036.db2.gz NJFROBMMIVUQJP-ACJLOTCBSA-N -1 3 394.504 3.655 20 0 GHADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826215382 896384048 /nfs/dbraw/zinc/38/40/48/896384048.db2.gz NJFROBMMIVUQJP-ACJLOTCBSA-N -1 3 394.504 3.655 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000826218581 896395131 /nfs/dbraw/zinc/39/51/31/896395131.db2.gz GUHIDAOOHATTHV-QVKFZJNVSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000826218581 896395148 /nfs/dbraw/zinc/39/51/48/896395148.db2.gz GUHIDAOOHATTHV-QVKFZJNVSA-N -1 3 386.459 3.711 20 0 GHADHM CSc1ccc(C)c(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230269 896556129 /nfs/dbraw/zinc/55/61/29/896556129.db2.gz LXFPSBUQBSLXPM-GOSISDBHSA-N -1 3 394.504 3.505 20 0 GHADHM CC(=O)Nc1ccc(Cl)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000129360271 896590911 /nfs/dbraw/zinc/59/09/11/896590911.db2.gz QXZFAEJIWWEPGY-UHFFFAOYSA-N -1 3 397.818 3.576 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826238284 896592391 /nfs/dbraw/zinc/59/23/91/896592391.db2.gz BYMHTGQGLDHPRD-LBPRGKRZSA-N -1 3 394.870 3.891 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826238284 896592399 /nfs/dbraw/zinc/59/23/99/896592399.db2.gz BYMHTGQGLDHPRD-LBPRGKRZSA-N -1 3 394.870 3.891 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccnc(OC3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826240408 896594785 /nfs/dbraw/zinc/59/47/85/896594785.db2.gz QXESAGAYBCXAOZ-UHFFFAOYSA-N -1 3 385.859 3.552 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccnc(OC3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826240408 896594789 /nfs/dbraw/zinc/59/47/89/896594789.db2.gz QXESAGAYBCXAOZ-UHFFFAOYSA-N -1 3 385.859 3.552 20 0 GHADHM CCCCC1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1 ZINC001185794575 914088763 /nfs/dbraw/zinc/08/87/63/914088763.db2.gz OEXOGTLWRXWGSW-UHFFFAOYSA-N -1 3 389.464 3.779 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000882217837 896710887 /nfs/dbraw/zinc/71/08/87/896710887.db2.gz DMECZIDLZOTMTA-UHFFFAOYSA-N -1 3 381.398 3.802 20 0 GHADHM Cc1cc(C(=O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(C)s1 ZINC000826257356 896746585 /nfs/dbraw/zinc/74/65/85/896746585.db2.gz YSPPJXHGGFQWML-UHFFFAOYSA-N -1 3 384.461 3.560 20 0 GHADHM Cc1cc(C(=O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(C)s1 ZINC000826257356 896746590 /nfs/dbraw/zinc/74/65/90/896746590.db2.gz YSPPJXHGGFQWML-UHFFFAOYSA-N -1 3 384.461 3.560 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)C[C@@H](C)c1nccs1 ZINC000826268316 896802180 /nfs/dbraw/zinc/80/21/80/896802180.db2.gz SGFPGYXXEBTTJS-LLVKDONJSA-N -1 3 383.456 3.559 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)C[C@@H](C)c1nccs1 ZINC000826268316 896802191 /nfs/dbraw/zinc/80/21/91/896802191.db2.gz SGFPGYXXEBTTJS-LLVKDONJSA-N -1 3 383.456 3.559 20 0 GHADHM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC001136271235 896998651 /nfs/dbraw/zinc/99/86/51/896998651.db2.gz RHGNLPROCKVOIJ-GOSISDBHSA-N -1 3 394.381 3.786 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001185839925 914121605 /nfs/dbraw/zinc/12/16/05/914121605.db2.gz UEMJMCJQBOZSCX-UHFFFAOYSA-N -1 3 388.395 3.555 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000819975987 897067382 /nfs/dbraw/zinc/06/73/82/897067382.db2.gz GYIMLLCGIKXDPT-UHFFFAOYSA-N -1 3 395.854 3.877 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000819975987 897067393 /nfs/dbraw/zinc/06/73/93/897067393.db2.gz GYIMLLCGIKXDPT-UHFFFAOYSA-N -1 3 395.854 3.877 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)s1 ZINC000567409937 897130563 /nfs/dbraw/zinc/13/05/63/897130563.db2.gz HHHMWVCLUATMEG-NXEZZACHSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826295764 897166469 /nfs/dbraw/zinc/16/64/69/897166469.db2.gz WYPYAUXDZSJYIQ-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826295764 897166487 /nfs/dbraw/zinc/16/64/87/897166487.db2.gz WYPYAUXDZSJYIQ-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567462435 897178074 /nfs/dbraw/zinc/17/80/74/897178074.db2.gz UWGYHDQYSLGASU-ZMZPIMSZSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820561816 897394854 /nfs/dbraw/zinc/39/48/54/897394854.db2.gz AMUAUHWTCGQUJX-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820561816 897394866 /nfs/dbraw/zinc/39/48/66/897394866.db2.gz AMUAUHWTCGQUJX-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM Cc1ccncc1[C@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000826315907 897508088 /nfs/dbraw/zinc/50/80/88/897508088.db2.gz YGXUWKRDXDUAJR-AWEZNQCLSA-N -1 3 384.447 3.853 20 0 GHADHM Cc1ccncc1[C@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000826315907 897508103 /nfs/dbraw/zinc/50/81/03/897508103.db2.gz YGXUWKRDXDUAJR-AWEZNQCLSA-N -1 3 384.447 3.853 20 0 GHADHM Cc1csc([C@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826320673 897575602 /nfs/dbraw/zinc/57/56/02/897575602.db2.gz ZIHOSVFCSHACEV-GFCCVEGCSA-N -1 3 375.889 3.720 20 0 GHADHM Cc1csc([C@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826320673 897575612 /nfs/dbraw/zinc/57/56/12/897575612.db2.gz ZIHOSVFCSHACEV-GFCCVEGCSA-N -1 3 375.889 3.720 20 0 GHADHM [O-]c1cccnc1CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 ZINC000568269203 897705205 /nfs/dbraw/zinc/70/52/05/897705205.db2.gz BRDVFKSATWKXDG-UHFFFAOYSA-N -1 3 399.495 3.785 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)c(F)c1 ZINC000821124182 897725780 /nfs/dbraw/zinc/72/57/80/897725780.db2.gz QIZANVQAFJDNPU-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000821366071 897854918 /nfs/dbraw/zinc/85/49/18/897854918.db2.gz XRAAJZRGYDDAFZ-MHZLTWQESA-N -1 3 388.485 3.674 20 0 GHADHM COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC001136452976 897921481 /nfs/dbraw/zinc/92/14/81/897921481.db2.gz PDXWWNLTJQUJJX-HXUWFJFHSA-N -1 3 381.403 3.959 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000132823031 897923257 /nfs/dbraw/zinc/92/32/57/897923257.db2.gz PPMYFYUBNHSQAS-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM Clc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000826351705 897978128 /nfs/dbraw/zinc/97/81/28/897978128.db2.gz XACMEJKSXXSZMA-UHFFFAOYSA-N -1 3 376.207 3.564 20 0 GHADHM Clc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000826351705 897978140 /nfs/dbraw/zinc/97/81/40/897978140.db2.gz XACMEJKSXXSZMA-UHFFFAOYSA-N -1 3 376.207 3.564 20 0 GHADHM C[C@H]1C[C@H](C)CN(c2nnc(SCc3ncccc3[O-])n2Cc2ccco2)C1 ZINC000568710148 898052211 /nfs/dbraw/zinc/05/22/11/898052211.db2.gz RBZPYSMSAKLQNN-GJZGRUSLSA-N -1 3 399.520 3.795 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1n[nH]cc1Br ZINC000111606561 898058392 /nfs/dbraw/zinc/05/83/92/898058392.db2.gz ZWZPKCVNXYJCHM-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM FC(F)(F)[C@@H](NCCCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367158 898151026 /nfs/dbraw/zinc/15/10/26/898151026.db2.gz OGVJLCXSAGOXMC-INIZCTEOSA-N -1 3 377.370 3.529 20 0 GHADHM FC(F)(F)[C@@H](NCCCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367158 898151039 /nfs/dbraw/zinc/15/10/39/898151039.db2.gz OGVJLCXSAGOXMC-INIZCTEOSA-N -1 3 377.370 3.529 20 0 GHADHM CCC(F)(F)C(=O)[N-][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000822121539 898215860 /nfs/dbraw/zinc/21/58/60/898215860.db2.gz CNFPOZOQYMZDMU-CYBMUJFWSA-N -1 3 378.341 3.530 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cc1F ZINC000822202259 898252422 /nfs/dbraw/zinc/25/24/22/898252422.db2.gz SNCKSMHWNVQNTF-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cc1F ZINC000822202259 898252436 /nfs/dbraw/zinc/25/24/36/898252436.db2.gz SNCKSMHWNVQNTF-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822274570 898281992 /nfs/dbraw/zinc/28/19/92/898281992.db2.gz BHBIQVRBZRBBJF-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822274570 898282005 /nfs/dbraw/zinc/28/20/05/898282005.db2.gz BHBIQVRBZRBBJF-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1O ZINC000822323822 898300428 /nfs/dbraw/zinc/30/04/28/898300428.db2.gz OMVWKEYYSNRKJO-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000569068520 898318324 /nfs/dbraw/zinc/31/83/24/898318324.db2.gz QGCMESMSCJWLRW-KSSFIOAISA-N -1 3 376.451 3.599 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccc1-n1ccnc1 ZINC001136624789 898608445 /nfs/dbraw/zinc/60/84/45/898608445.db2.gz JNDCLOHRLZRGNE-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM O=C(OC[C@H](F)C(F)(F)F)c1n[n-]c(-c2ccccc2)c1Br ZINC000800185291 898718949 /nfs/dbraw/zinc/71/89/49/898718949.db2.gz TXKOGSNAGVAZCA-QMMMGPOBSA-N -1 3 381.123 3.896 20 0 GHADHM COc1ccc(C)c(F)c1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001214631068 898906041 /nfs/dbraw/zinc/90/60/41/898906041.db2.gz OBMWEUQBNBMVBF-UHFFFAOYSA-N -1 3 379.240 3.833 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1[n-]cnc1C(F)(F)F ZINC000823317146 898947266 /nfs/dbraw/zinc/94/72/66/898947266.db2.gz KSZIESCVTDOXAV-UHFFFAOYSA-N -1 3 380.370 3.743 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1nc[n-]c1C(F)(F)F ZINC000823317146 898947275 /nfs/dbraw/zinc/94/72/75/898947275.db2.gz KSZIESCVTDOXAV-UHFFFAOYSA-N -1 3 380.370 3.743 20 0 GHADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570047839 899091209 /nfs/dbraw/zinc/09/12/09/899091209.db2.gz WOTDOYUTFGNGGL-NEPJUHHUSA-N -1 3 377.282 3.847 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823557974 899111422 /nfs/dbraw/zinc/11/14/22/899111422.db2.gz XMQLJHQAULBDCQ-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1C ZINC000116159834 899252408 /nfs/dbraw/zinc/25/24/08/899252408.db2.gz WIMWTVADVVCOAN-RUZDIDTESA-N -1 3 395.546 3.852 20 0 GHADHM Brc1ccc(NC2CCN(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823832467 899271219 /nfs/dbraw/zinc/27/12/19/899271219.db2.gz PAAOGHZCUKDRKW-UHFFFAOYSA-N -1 3 399.296 3.710 20 0 GHADHM Brc1ccc(NC2CCN(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823832467 899271229 /nfs/dbraw/zinc/27/12/29/899271229.db2.gz PAAOGHZCUKDRKW-UHFFFAOYSA-N -1 3 399.296 3.710 20 0 GHADHM CN(CCCN(C)C(=O)c1c([O-])cc(Cl)cc1Cl)Cc1ccncc1 ZINC000646240365 914345548 /nfs/dbraw/zinc/34/55/48/914345548.db2.gz MJXWDQVHFPWPCY-UHFFFAOYSA-N -1 3 382.291 3.688 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC[C@H]2C2CCC2)cc1OC ZINC000646240564 914345663 /nfs/dbraw/zinc/34/56/63/914345663.db2.gz JEBQMYAUUGSWHE-KRWDZBQOSA-N -1 3 395.525 3.643 20 0 GHADHM CC(C)(CO)[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000824162945 899435603 /nfs/dbraw/zinc/43/56/03/899435603.db2.gz VQGNNGXUINSZHL-SFHVURJKSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000824162945 899435614 /nfs/dbraw/zinc/43/56/14/899435614.db2.gz VQGNNGXUINSZHL-SFHVURJKSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824255663 899496935 /nfs/dbraw/zinc/49/69/35/899496935.db2.gz SJODTQCBELGOTP-HNNXBMFYSA-N -1 3 378.480 3.892 20 0 GHADHM CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824255663 899496939 /nfs/dbraw/zinc/49/69/39/899496939.db2.gz SJODTQCBELGOTP-HNNXBMFYSA-N -1 3 378.480 3.892 20 0 GHADHM CC(C)n1cc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cn1 ZINC000332227208 899498712 /nfs/dbraw/zinc/49/87/12/899498712.db2.gz KSYRLDCSFKTRAY-UHFFFAOYSA-N -1 3 384.299 3.516 20 0 GHADHM CC(C)OCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309273 899517935 /nfs/dbraw/zinc/51/79/35/899517935.db2.gz JJTMHEZUVRNXJR-OAHLLOKOSA-N -1 3 379.464 3.526 20 0 GHADHM CC(C)OCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309273 899517942 /nfs/dbraw/zinc/51/79/42/899517942.db2.gz JJTMHEZUVRNXJR-OAHLLOKOSA-N -1 3 379.464 3.526 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000332265886 899529863 /nfs/dbraw/zinc/52/98/63/899529863.db2.gz OQRBEVHAFLANOM-LLVKDONJSA-N -1 3 396.274 3.958 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000824471236 899616729 /nfs/dbraw/zinc/61/67/29/899616729.db2.gz PXDWISKKAGDCQH-NEPJUHHUSA-N -1 3 389.381 3.909 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000824471236 899616736 /nfs/dbraw/zinc/61/67/36/899616736.db2.gz PXDWISKKAGDCQH-NEPJUHHUSA-N -1 3 389.381 3.909 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000332549299 899755825 /nfs/dbraw/zinc/75/58/25/899755825.db2.gz OVUUJSKWKUGOBS-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(-c3nc(-c4cc(=O)[n-]cn4)no3)c12 ZINC000571208207 899785829 /nfs/dbraw/zinc/78/58/29/899785829.db2.gz KLEBWMXCHWEKAT-UHFFFAOYSA-N -1 3 391.435 3.585 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000826404256 899831991 /nfs/dbraw/zinc/83/19/91/899831991.db2.gz ULGUXZPKNVSMIH-UHFFFAOYSA-N -1 3 398.385 3.548 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000826404256 899832000 /nfs/dbraw/zinc/83/20/00/899832000.db2.gz ULGUXZPKNVSMIH-UHFFFAOYSA-N -1 3 398.385 3.548 20 0 GHADHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1F)c1ccc2nsnc2c1 ZINC001186261847 914396854 /nfs/dbraw/zinc/39/68/54/914396854.db2.gz XXJZAQZZASVGEK-UHFFFAOYSA-N -1 3 377.344 3.650 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)c2cccc(Cl)c2O1 ZINC000825200337 900042187 /nfs/dbraw/zinc/04/21/87/900042187.db2.gz ALTWABZOEQGQBN-ZDUSSCGKSA-N -1 3 383.839 3.646 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)c2cccc(Cl)c2O1 ZINC000825200337 900042195 /nfs/dbraw/zinc/04/21/95/900042195.db2.gz ALTWABZOEQGQBN-ZDUSSCGKSA-N -1 3 383.839 3.646 20 0 GHADHM CCCCc1nc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000825296693 900077030 /nfs/dbraw/zinc/07/70/30/900077030.db2.gz SPHWCGKRERAXTJ-UHFFFAOYSA-N -1 3 384.387 3.903 20 0 GHADHM CCCCc1nc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000825296693 900077040 /nfs/dbraw/zinc/07/70/40/900077040.db2.gz SPHWCGKRERAXTJ-UHFFFAOYSA-N -1 3 384.387 3.903 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825348561 900111828 /nfs/dbraw/zinc/11/18/28/900111828.db2.gz PZCRJORJIMQFHZ-UHFFFAOYSA-N -1 3 378.432 3.526 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825348561 900111837 /nfs/dbraw/zinc/11/18/37/900111837.db2.gz PZCRJORJIMQFHZ-UHFFFAOYSA-N -1 3 378.432 3.526 20 0 GHADHM C[C@@](O)(C1CCN(Cc2cccc([O-])c2Br)CC1)C(F)(F)F ZINC000572580043 900226846 /nfs/dbraw/zinc/22/68/46/900226846.db2.gz JLDJHRBAZQQDNL-CQSZACIVSA-N -1 3 382.220 3.680 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N[C@H](c1ccccc1)C1CC1 ZINC000826420753 900231791 /nfs/dbraw/zinc/23/17/91/900231791.db2.gz ARFZYORYWUVQJK-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N[C@H](c1ccccc1)C1CC1 ZINC000826420753 900231805 /nfs/dbraw/zinc/23/18/05/900231805.db2.gz ARFZYORYWUVQJK-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000572889646 900300400 /nfs/dbraw/zinc/30/04/00/900300400.db2.gz VRNLOLBIUVATJE-UHFFFAOYSA-N -1 3 392.459 3.914 20 0 GHADHM O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1ncc([O-])cc1Br ZINC001143685017 900383555 /nfs/dbraw/zinc/38/35/55/900383555.db2.gz SRDOJOMEJGZLGT-UHFFFAOYSA-N -1 3 393.134 3.889 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC(F)(F)c1ccccc1 ZINC000573175212 900406271 /nfs/dbraw/zinc/40/62/71/900406271.db2.gz XHEVAMPMNKMLPZ-UHFFFAOYSA-N -1 3 385.208 3.746 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1C1CC1 ZINC000826440848 900426676 /nfs/dbraw/zinc/42/66/76/900426676.db2.gz CRUXTCZSRGQJSV-UHFFFAOYSA-N -1 3 396.454 3.736 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1C1CC1 ZINC000826440848 900426683 /nfs/dbraw/zinc/42/66/83/900426683.db2.gz CRUXTCZSRGQJSV-UHFFFAOYSA-N -1 3 396.454 3.736 20 0 GHADHM CCCCc1ncc(CN2CCC[C@H](OC)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143751986 900482343 /nfs/dbraw/zinc/48/23/43/900482343.db2.gz FGUCBGNCHLEXRM-NRFANRHFSA-N -1 3 399.535 3.973 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(OC[C@H]4CCCO4)CC3)c2c1 ZINC000844209316 900603945 /nfs/dbraw/zinc/60/39/45/900603945.db2.gz QOJOLNWEJMFQOK-QGZVFWFLSA-N -1 3 384.476 3.714 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccnc(C2CC2)c1 ZINC000826460561 900678712 /nfs/dbraw/zinc/67/87/12/900678712.db2.gz ICWDHCPMISYXGC-UHFFFAOYSA-N -1 3 380.477 3.722 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccnc(C2CC2)c1 ZINC000826460561 900678716 /nfs/dbraw/zinc/67/87/16/900678716.db2.gz ICWDHCPMISYXGC-UHFFFAOYSA-N -1 3 380.477 3.722 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc2ncccc2c1 ZINC000574133438 900790957 /nfs/dbraw/zinc/79/09/57/900790957.db2.gz XOXQYNGPIOYJQM-LEWJYISDSA-N -1 3 398.484 3.718 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2sccc2F)CC1 ZINC000574224023 900822702 /nfs/dbraw/zinc/82/27/02/900822702.db2.gz LJTGEVUHOBVFFH-UHFFFAOYSA-N -1 3 382.844 3.737 20 0 GHADHM Cc1csc(C[C@H]2CCN(C(=O)c3cc([O-])cc(Br)c3)C2)n1 ZINC000886217428 900892003 /nfs/dbraw/zinc/89/20/03/900892003.db2.gz YZBFMJIGWLGXOB-LLVKDONJSA-N -1 3 381.295 3.624 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000574762986 900999014 /nfs/dbraw/zinc/99/90/14/900999014.db2.gz CYBHMDUFPSMAOR-FUHIMQAGSA-N -1 3 380.488 3.576 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc3ccccc32)c1F ZINC000574851108 901037267 /nfs/dbraw/zinc/03/72/67/901037267.db2.gz WGJZEHJMHDFXEV-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN([C@H](C)c4nccs4)CC3)c2c1 ZINC000574919000 901052934 /nfs/dbraw/zinc/05/29/34/901052934.db2.gz GZKBYBBBLGIAKI-CQSZACIVSA-N -1 3 382.489 3.581 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001186379486 914517235 /nfs/dbraw/zinc/51/72/35/914517235.db2.gz SCPJIKJLUFOCJM-DOMZBBRYSA-N -1 3 376.453 3.569 20 0 GHADHM CCOc1ccc2c(c1)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCO2 ZINC000187552190 901350459 /nfs/dbraw/zinc/35/04/59/901350459.db2.gz RUECFRPKTGEODT-HNNXBMFYSA-N -1 3 378.812 3.966 20 0 GHADHM CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nc2sc(C)c(C)c2c1=O ZINC000575892629 901439023 /nfs/dbraw/zinc/43/90/23/901439023.db2.gz HYRHFDRFCIUWIL-UHFFFAOYSA-N -1 3 388.518 3.760 20 0 GHADHM O=C(NCCC[C@H]1CC1(Cl)Cl)NCc1ccc([O-])c(Br)c1 ZINC000845065576 901761966 /nfs/dbraw/zinc/76/19/66/901761966.db2.gz WOAYXAFYEWKCDC-JTQLQIEISA-N -1 3 396.112 3.928 20 0 GHADHM CC[C@H](OCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000845110395 901792759 /nfs/dbraw/zinc/79/27/59/901792759.db2.gz YCASFINZWIPOEP-SFHVURJKSA-N -1 3 395.452 3.522 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1C ZINC000576394660 901997893 /nfs/dbraw/zinc/99/78/93/901997893.db2.gz KXUXFWCMMOLEIO-UHFFFAOYSA-N -1 3 396.459 3.694 20 0 GHADHM O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502976 902283495 /nfs/dbraw/zinc/28/34/95/902283495.db2.gz QEMGBLCLEJNNAE-ZDUSSCGKSA-N -1 3 384.823 3.586 20 0 GHADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000576844519 902296793 /nfs/dbraw/zinc/29/67/93/902296793.db2.gz WCQYOQVAKKFHCZ-UHFFFAOYSA-N -1 3 381.807 3.615 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3c(F)cc([O-])cc3F)CC2)C1 ZINC001144545277 902329144 /nfs/dbraw/zinc/32/91/44/902329144.db2.gz ZKIUNTDANBEXLP-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3c(F)cc([O-])cc3F)C2)C1=O ZINC001144553671 902368934 /nfs/dbraw/zinc/36/89/34/902368934.db2.gz MGQQANPRRUBFQY-QFIPXVFZSA-N -1 3 386.442 3.817 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144553712 902369009 /nfs/dbraw/zinc/36/90/09/902369009.db2.gz NUAGHRGFEXYCJQ-HNNXBMFYSA-N -1 3 378.463 3.579 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001144625312 902501214 /nfs/dbraw/zinc/50/12/14/902501214.db2.gz CCMQIPGSUUOXKM-RBBKRZOGSA-N -1 3 383.463 3.713 20 0 GHADHM Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000577134490 902528524 /nfs/dbraw/zinc/52/85/24/902528524.db2.gz QHBSUNCJIVOQDC-UHFFFAOYSA-N -1 3 399.502 3.920 20 0 GHADHM Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000577134490 902528527 /nfs/dbraw/zinc/52/85/27/902528527.db2.gz QHBSUNCJIVOQDC-UHFFFAOYSA-N -1 3 399.502 3.920 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001144629022 902533479 /nfs/dbraw/zinc/53/34/79/902533479.db2.gz QOYKUZNDBLATHT-UHFFFAOYSA-N -1 3 375.827 3.775 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144648476 902552930 /nfs/dbraw/zinc/55/29/30/902552930.db2.gz VEJUYKVPXDZMQU-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000845973801 902554354 /nfs/dbraw/zinc/55/43/54/902554354.db2.gz DBRMMPMNIWDZSX-LSDHHAIUSA-N -1 3 382.284 3.916 20 0 GHADHM O=S(=O)([N-]C[C@H](NCc1ccccc1)c1ccco1)c1cc2ccccc2o1 ZINC000577209565 902592342 /nfs/dbraw/zinc/59/23/42/902592342.db2.gz GLMJOYSNKBIIMK-SFHVURJKSA-N -1 3 396.468 3.835 20 0 GHADHM CC(C)(C)OC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccoc2)c1Cl ZINC000600665474 902797764 /nfs/dbraw/zinc/79/77/64/902797764.db2.gz SNEQBUUVTIKDIG-UHFFFAOYSA-N -1 3 375.805 3.828 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000846243216 902818804 /nfs/dbraw/zinc/81/88/04/902818804.db2.gz DPTGMDRGELMRBP-GIVJRHHMSA-N -1 3 399.462 3.984 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N(C)Cc1ccccc1 ZINC000600771145 902891798 /nfs/dbraw/zinc/89/17/98/902891798.db2.gz ZYWBAHRHFIRFHZ-CYBMUJFWSA-N -1 3 387.332 3.792 20 0 GHADHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000577687085 903050982 /nfs/dbraw/zinc/05/09/82/903050982.db2.gz JWUIZEIFLQYYSZ-UHFFFAOYSA-N -1 3 389.473 3.524 20 0 GHADHM CC(C)[C@@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290460387 914689407 /nfs/dbraw/zinc/68/94/07/914689407.db2.gz VHEYEQLTBNAOJP-DOTOQJQBSA-N -1 3 384.442 3.733 20 0 GHADHM Cc1cc(C(=O)Nc2cc(I)ccc2[O-])cc(Cl)n1 ZINC000779030212 903212087 /nfs/dbraw/zinc/21/20/87/903212087.db2.gz NXPNQYKJUHLVNY-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM CCCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1cccc(C)c1 ZINC000578024973 903454321 /nfs/dbraw/zinc/45/43/21/903454321.db2.gz LVECSHBLOMLHOB-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM C[C@](CC(=O)[O-])(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCCCC1 ZINC000265123448 903646860 /nfs/dbraw/zinc/64/68/60/903646860.db2.gz DWMUINMZCJZTND-NFBKMPQASA-N -1 3 386.536 3.829 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001147050455 903675977 /nfs/dbraw/zinc/67/59/77/903675977.db2.gz LHNMCLVIOULOFD-NEPJUHHUSA-N -1 3 377.282 3.941 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(CC3(C)CCCC3)no2)cc1 ZINC000578369029 903773225 /nfs/dbraw/zinc/77/32/25/903773225.db2.gz QVHDERYURYILON-UHFFFAOYSA-N -1 3 393.509 3.922 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c([O-])c1 ZINC001147586366 903829275 /nfs/dbraw/zinc/82/92/75/903829275.db2.gz QKLIOEADEDHWKD-ZWKOTPCHSA-N -1 3 380.488 3.534 20 0 GHADHM CC(C)n1cc2cc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)ccc2n1 ZINC001147685400 903849415 /nfs/dbraw/zinc/84/94/15/903849415.db2.gz YEWOUCOOSLTYIY-UHFFFAOYSA-N -1 3 382.370 3.989 20 0 GHADHM Cc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1OCCC(C)C ZINC000887807132 903934092 /nfs/dbraw/zinc/93/40/92/903934092.db2.gz QYBHLMJOTAVCPM-UHFFFAOYSA-N -1 3 376.482 3.526 20 0 GHADHM CC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cc(F)cc(Br)c1 ZINC000578548206 903951227 /nfs/dbraw/zinc/95/12/27/903951227.db2.gz PFJUENVNICAYBZ-CYBMUJFWSA-N -1 3 394.244 3.842 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC001148112609 903978141 /nfs/dbraw/zinc/97/81/41/903978141.db2.gz ILFGUAQSZARXRC-VGOFRKELSA-N -1 3 394.471 3.723 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1cccnc1C(F)(F)F ZINC000578630672 904018170 /nfs/dbraw/zinc/01/81/70/904018170.db2.gz SJOAHGLZPWVGGS-UHFFFAOYSA-N -1 3 382.363 3.839 20 0 GHADHM CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)c1ccc(C)cc1[O-] ZINC001148504164 904099483 /nfs/dbraw/zinc/09/94/83/904099483.db2.gz KKIMYOSLQJUETQ-CVAIRZPRSA-N -1 3 393.524 3.934 20 0 GHADHM CC(=O)c1cc(C(=O)NCc2ccc3ncc(Br)cc3c2)ccc1[O-] ZINC001148671003 904165474 /nfs/dbraw/zinc/16/54/74/904165474.db2.gz QRWDWSRZLVANQE-UHFFFAOYSA-N -1 3 399.244 3.836 20 0 GHADHM CC(=O)c1cc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)N(C)C)ccc1[O-] ZINC001148668393 904165742 /nfs/dbraw/zinc/16/57/42/904165742.db2.gz CFUXPQMQPBYTIM-QGZVFWFLSA-N -1 3 395.286 3.934 20 0 GHADHM O=C(NCC(Cc1ccccc1)Cc1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579000436 904284319 /nfs/dbraw/zinc/28/43/19/904284319.db2.gz CXZBCUUIMOVUKD-UHFFFAOYSA-N -1 3 387.483 3.891 20 0 GHADHM COC(=O)c1c([N-]C(=O)c2ncsc2C(F)(F)F)sc2c1CCC2 ZINC000282726335 904291966 /nfs/dbraw/zinc/29/19/66/904291966.db2.gz WWWRHVHLJRKQAV-UHFFFAOYSA-N -1 3 376.381 3.751 20 0 GHADHM O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000579037094 904305660 /nfs/dbraw/zinc/30/56/60/904305660.db2.gz PTSLKFCMCZLNIP-UHFFFAOYSA-N -1 3 395.846 3.613 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1nc2ccccc2cc1Br ZINC000579175664 904395263 /nfs/dbraw/zinc/39/52/63/904395263.db2.gz XJRRNGYZYHOFJI-UHFFFAOYSA-N -1 3 375.197 3.772 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccccc2OC1)c1ccc(F)cc1C(F)(F)F ZINC000510407864 904484816 /nfs/dbraw/zinc/48/48/16/904484816.db2.gz NXTBPGUIYXBSGC-ZDUSSCGKSA-N -1 3 389.370 3.517 20 0 GHADHM O=c1cc(CS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000579328111 904522355 /nfs/dbraw/zinc/52/23/55/904522355.db2.gz BSJLUUVWWJQHIX-UHFFFAOYSA-N -1 3 392.786 3.706 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000773232387 904597799 /nfs/dbraw/zinc/59/77/99/904597799.db2.gz RJBVOJRKNZSHBF-UHFFFAOYSA-N -1 3 383.882 3.933 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(OC(C)C)cc2)sc1Cl ZINC000188041016 904863165 /nfs/dbraw/zinc/86/31/65/904863165.db2.gz USVSKNSYHMFOAC-CQSZACIVSA-N -1 3 389.926 3.509 20 0 GHADHM C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)C(=O)[O-])C1)c1nc(-c2cccc(F)c2)no1 ZINC000901457954 921126824 /nfs/dbraw/zinc/12/68/24/921126824.db2.gz XDZLZYHZRDSIPK-ZKYQVNSYSA-N -1 3 383.370 3.805 20 0 GHADHM CC[C@@H](C)n1c2ccc(NC(=O)c3cc(=O)[n-]cn3)cc2nc1C(F)(F)F ZINC000627600450 905640483 /nfs/dbraw/zinc/64/04/83/905640483.db2.gz VLQCZTKODQPTEB-SECBINFHSA-N -1 3 379.342 3.774 20 0 GHADHM CCOc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000901499652 921174797 /nfs/dbraw/zinc/17/47/97/921174797.db2.gz ODFHBCWTFKMSBB-AWEZNQCLSA-N -1 3 387.398 3.713 20 0 GHADHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1ccc(OC(F)F)c(Br)c1)C2 ZINC000901524453 921201386 /nfs/dbraw/zinc/20/13/86/921201386.db2.gz RSXKYWPBQMNKFZ-BDJLRTHQSA-N -1 3 390.224 3.737 20 0 GHADHM O=C([O-])c1cn(C2CCN(Cc3ccc(Sc4ccccc4)cc3)CC2)nn1 ZINC000901524540 921202462 /nfs/dbraw/zinc/20/24/62/921202462.db2.gz PCGFACAZGNUWCG-UHFFFAOYSA-N -1 3 394.500 3.965 20 0 GHADHM CCOCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000628953415 906385026 /nfs/dbraw/zinc/38/50/26/906385026.db2.gz YMZZVSLEOHJMHG-HXUWFJFHSA-N -1 3 382.460 3.517 20 0 GHADHM CCCCOc1ccc(C(=O)NC2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000191041369 906568504 /nfs/dbraw/zinc/56/85/04/906568504.db2.gz JLHHJZIEDBRZFR-UHFFFAOYSA-N -1 3 384.476 3.526 20 0 GHADHM CCCNC(=O)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Cl ZINC000179761689 906588594 /nfs/dbraw/zinc/58/85/94/906588594.db2.gz XOCJTDADBRHZFH-UHFFFAOYSA-N -1 3 388.777 3.606 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Sc3nc4c(cnn4C)c(=O)[n-]3)o2)cc1C ZINC000629218447 906600206 /nfs/dbraw/zinc/60/02/06/906600206.db2.gz NNVAMMARXVAINF-NSHDSACASA-N -1 3 382.449 3.589 20 0 GHADHM CC(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179936848 906638075 /nfs/dbraw/zinc/63/80/75/906638075.db2.gz SUJGTJZEBJQLBP-CQSZACIVSA-N -1 3 395.484 3.866 20 0 GHADHM Cc1cc(C)cc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001173831132 906727916 /nfs/dbraw/zinc/72/79/16/906727916.db2.gz UWKBDZPWWCLWOV-UHFFFAOYSA-N -1 3 384.457 3.873 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000629498481 906832889 /nfs/dbraw/zinc/83/28/89/906832889.db2.gz LXOHJTQWHFNFRA-ZJQBRPOHSA-N -1 3 387.307 3.602 20 0 GHADHM O=S(=O)(c1ccc(Nc2cccc([O-])c2Br)cc1)N1CCCC1 ZINC001174255471 906912796 /nfs/dbraw/zinc/91/27/96/906912796.db2.gz YKAIFKVYUCZNML-UHFFFAOYSA-N -1 3 397.294 3.683 20 0 GHADHM COc1cc(COc2ccc(Nc3ccc(C(N)=O)c([O-])c3)cc2)cc(OC)c1 ZINC001174224215 906920189 /nfs/dbraw/zinc/92/01/89/906920189.db2.gz RXHIVHBDAKBUCL-UHFFFAOYSA-N -1 3 394.427 3.831 20 0 GHADHM Cc1cc(C2(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])CCOCC2)on1 ZINC000629726410 906991052 /nfs/dbraw/zinc/99/10/52/906991052.db2.gz HDLWITZTDLKDML-UHFFFAOYSA-N -1 3 392.455 3.715 20 0 GHADHM Cc1cc(=O)[n-]c(CN2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC001174818344 907218875 /nfs/dbraw/zinc/21/88/75/907218875.db2.gz CXDQMZHHDWALCS-AWEZNQCLSA-N -1 3 380.311 3.620 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1nc(Cc2ccccc2Cl)no1 ZINC000779517004 907358225 /nfs/dbraw/zinc/35/82/25/907358225.db2.gz SNSVXFKOWNJMKZ-INIZCTEOSA-N -1 3 383.835 3.997 20 0 GHADHM Cc1csc([C@H](C)CNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000183943680 907481771 /nfs/dbraw/zinc/48/17/71/907481771.db2.gz UJUSTJOURLXKOU-SECBINFHSA-N -1 3 384.299 3.523 20 0 GHADHM FC(F)(F)c1cnc(Br)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428276 907549271 /nfs/dbraw/zinc/54/92/71/907549271.db2.gz WIBJLNQZOQYGLS-UHFFFAOYSA-N -1 3 385.147 3.787 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC001175432335 907550312 /nfs/dbraw/zinc/55/03/12/907550312.db2.gz ASLMIUWHCBFASM-SFHVURJKSA-N -1 3 392.463 3.602 20 0 GHADHM CCOC(=O)c1csc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001175431763 907550574 /nfs/dbraw/zinc/55/05/74/907550574.db2.gz MGMQLMYEIXRYBX-UHFFFAOYSA-N -1 3 392.444 3.911 20 0 GHADHM COc1ccc(C(C)=O)c(Nc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC001175432897 907552461 /nfs/dbraw/zinc/55/24/61/907552461.db2.gz NTPGTEIZFMHVRW-UHFFFAOYSA-N -1 3 388.225 3.584 20 0 GHADHM C[C@@H](CCC(=O)Nc1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000192440166 907657280 /nfs/dbraw/zinc/65/72/80/907657280.db2.gz BBMVMIKGPPPGME-JTQLQIEISA-N -1 3 387.274 3.787 20 0 GHADHM COc1ccc(OCc2ccccn2)c(CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000901553543 921353662 /nfs/dbraw/zinc/35/36/62/921353662.db2.gz LZAMNCAJPPWQMO-QGZVFWFLSA-N -1 3 384.476 3.746 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1nc(C(F)(F)F)cs1 ZINC000632286269 908006168 /nfs/dbraw/zinc/00/61/68/908006168.db2.gz NADYUNKPOYCNHD-YFKPBYRVSA-N -1 3 376.328 3.732 20 0 GHADHM COC([O-])=NC(=S)N(c1cc(F)cc(N2CCCC2)c1)c1ccccc1N ZINC001176424147 908112397 /nfs/dbraw/zinc/11/23/97/908112397.db2.gz LFHNOEUWSGISSE-UHFFFAOYSA-N -1 3 388.468 3.787 20 0 GHADHM CCCCS(=O)(=O)Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000190409661 908481147 /nfs/dbraw/zinc/48/11/47/908481147.db2.gz FUGCCBFNJXDYPY-UHFFFAOYSA-N -1 3 376.503 3.675 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1nc(C)cs1 ZINC000192818398 908827373 /nfs/dbraw/zinc/82/73/73/908827373.db2.gz GLZTVDMFUXLZGH-NSHDSACASA-N -1 3 390.914 3.552 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1ccc(-c2ccnc(C)c2)cc1 ZINC001178379968 909023803 /nfs/dbraw/zinc/02/38/03/909023803.db2.gz SKRQYCOLNDAETQ-UHFFFAOYSA-N -1 3 394.402 3.870 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc2c(c1)CCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001179183375 909399526 /nfs/dbraw/zinc/39/95/26/909399526.db2.gz RZYYQCMDZGPNHE-GFCCVEGCSA-N -1 3 380.414 3.902 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC001179177677 909415363 /nfs/dbraw/zinc/41/53/63/909415363.db2.gz YJNFHAKITWEQAJ-SNVBAGLBSA-N -1 3 395.410 3.675 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)c2)c1C ZINC000636109747 909431177 /nfs/dbraw/zinc/43/11/77/909431177.db2.gz HVTNZQHVYAUDHW-UHFFFAOYSA-N -1 3 393.491 3.521 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)s1 ZINC000636112366 909433238 /nfs/dbraw/zinc/43/32/38/909433238.db2.gz PNRKCALJTZITJG-UHFFFAOYSA-N -1 3 388.518 3.578 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2csc(-c3ccc(Cl)s3)n2)n1 ZINC000636115393 909437596 /nfs/dbraw/zinc/43/75/96/909437596.db2.gz PAWGQDZYDHEVPO-UHFFFAOYSA-N -1 3 394.909 3.994 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1[O-] ZINC001179351726 909479320 /nfs/dbraw/zinc/47/93/20/909479320.db2.gz HEKQQUXUTGNXQU-AOMKIAJQSA-N -1 3 388.508 3.864 20 0 GHADHM O=C(CCc1cc(Br)cs1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318987 909535530 /nfs/dbraw/zinc/53/55/30/909535530.db2.gz IAJRHDWBPGICGA-UHFFFAOYSA-N -1 3 396.310 3.523 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)NCC1(NC(=O)[O-])CCCCC1 ZINC000739542413 909535687 /nfs/dbraw/zinc/53/56/87/909535687.db2.gz QTHBMHMJWWYWQJ-HNNXBMFYSA-N -1 3 375.513 3.699 20 0 GHADHM O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318552 909537250 /nfs/dbraw/zinc/53/72/50/909537250.db2.gz YFNWWFWEDFHIHK-UHFFFAOYSA-N -1 3 377.444 3.544 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Br)c1Cl ZINC000636320081 909539944 /nfs/dbraw/zinc/53/99/44/909539944.db2.gz DDIAMVBBEXQSMT-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319700 909539979 /nfs/dbraw/zinc/53/99/79/909539979.db2.gz XDACFBFDCPNUNG-JTQLQIEISA-N -1 3 396.274 3.840 20 0 GHADHM Cc1cc(Br)cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1C ZINC000636323065 909543565 /nfs/dbraw/zinc/54/35/65/909543565.db2.gz XTEYGQCJVQUDIE-UHFFFAOYSA-N -1 3 390.281 3.759 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000637376227 909798132 /nfs/dbraw/zinc/79/81/32/909798132.db2.gz JEOYZDBIVQPDRV-CYZMBNFOSA-N -1 3 390.192 3.699 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCc2ccsc2C1 ZINC001179975509 909843707 /nfs/dbraw/zinc/84/37/07/909843707.db2.gz XROZQEOVESAWOH-UHFFFAOYSA-N -1 3 394.374 3.687 20 0 GHADHM O=C(Cc1cc(F)cc2c1OCOC2)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000269479299 910283078 /nfs/dbraw/zinc/28/30/78/910283078.db2.gz OBLFIVXIAJDRTI-UHFFFAOYSA-N -1 3 385.313 3.502 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1cncc(F)c1 ZINC000795441659 910325819 /nfs/dbraw/zinc/32/58/19/910325819.db2.gz QRTVVIVEPCPHOA-FQEVSTJZSA-N -1 3 394.402 3.531 20 0 GHADHM COc1ccc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c(Br)c1[O-] ZINC000639423639 910426859 /nfs/dbraw/zinc/42/68/59/910426859.db2.gz HQLWRUANZLOSOB-INIZCTEOSA-N -1 3 397.313 3.563 20 0 GHADHM O=C(CCc1ccc(Oc2ccccc2)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC001180929994 910432926 /nfs/dbraw/zinc/43/29/26/910432926.db2.gz FNHDRBDVVYDQTC-UHFFFAOYSA-N -1 3 399.454 3.908 20 0 GHADHM O=C(CCc1ccc(Oc2ccccc2)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001180929994 910432938 /nfs/dbraw/zinc/43/29/38/910432938.db2.gz FNHDRBDVVYDQTC-UHFFFAOYSA-N -1 3 399.454 3.908 20 0 GHADHM CSCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nnc2ccccn21 ZINC000270306865 910510895 /nfs/dbraw/zinc/51/08/95/910510895.db2.gz DGRNUVZXAOOBRE-CQSZACIVSA-N -1 3 394.422 3.571 20 0 GHADHM Cc1csc(C(=O)[N-]c2c(F)ccnc2F)c1I ZINC001274533290 910683072 /nfs/dbraw/zinc/68/30/72/910683072.db2.gz WXJWPIJYSWIDTK-UHFFFAOYSA-N -1 3 380.157 3.587 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)c1 ZINC000270842980 910716525 /nfs/dbraw/zinc/71/65/25/910716525.db2.gz IIIZOLRZMLOJEA-UHFFFAOYSA-N -1 3 383.444 3.738 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001181408071 910763965 /nfs/dbraw/zinc/76/39/65/910763965.db2.gz KQCFZEHFHINODR-GRYCIOLGSA-N -1 3 390.406 3.546 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001181408071 910763974 /nfs/dbraw/zinc/76/39/74/910763974.db2.gz KQCFZEHFHINODR-GRYCIOLGSA-N -1 3 390.406 3.546 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ncc([O-])cc2Br)c1 ZINC001181470376 910782327 /nfs/dbraw/zinc/78/23/27/910782327.db2.gz USCUGXWUTBTSKJ-UHFFFAOYSA-N -1 3 377.238 3.768 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271232320 910826182 /nfs/dbraw/zinc/82/61/82/910826182.db2.gz BMEXFTNTBHANMA-GFCCVEGCSA-N -1 3 391.493 3.545 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)sc1C ZINC000271413583 910894110 /nfs/dbraw/zinc/89/41/10/910894110.db2.gz ZBNPXDYHJPFWMN-UHFFFAOYSA-N -1 3 385.820 3.738 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)[n-]1 ZINC000640310925 910963789 /nfs/dbraw/zinc/96/37/89/910963789.db2.gz WOSBYGRGVAQXQG-AWEZNQCLSA-N -1 3 381.249 3.503 20 0 GHADHM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NCc1ccn(-c2ccccc2)n1 ZINC000901842835 921628725 /nfs/dbraw/zinc/62/87/25/921628725.db2.gz LUBNAIBKUBKURT-PGRDOPGGSA-N -1 3 375.472 3.925 20 0 GHADHM CN(Cc1ccccc1)[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001182243145 911324322 /nfs/dbraw/zinc/32/43/22/911324322.db2.gz CFORKFIUQWGHAJ-OAQYLSRUSA-N -1 3 398.470 3.679 20 0 GHADHM CN(Cc1ccccc1)[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001182243145 911324339 /nfs/dbraw/zinc/32/43/39/911324339.db2.gz CFORKFIUQWGHAJ-OAQYLSRUSA-N -1 3 398.470 3.679 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000641386895 911399124 /nfs/dbraw/zinc/39/91/24/911399124.db2.gz MMVCJYNQTRRLCJ-HOTGVXAUSA-N -1 3 385.432 3.588 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@H](CNCc1c(F)cncc1Br)CCC2 ZINC000901878424 921678768 /nfs/dbraw/zinc/67/87/68/921678768.db2.gz FWGTWSLVKVZBRO-ZDUSSCGKSA-N -1 3 393.256 3.891 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)c(F)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC001182690777 911973901 /nfs/dbraw/zinc/97/39/01/911973901.db2.gz PNIWGTBQYUJITM-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)c(F)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001182690777 911973910 /nfs/dbraw/zinc/97/39/10/911973910.db2.gz PNIWGTBQYUJITM-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM CSc1[n-]nc(NC(=O)[C@@H](C)c2cccc(Oc3ccccc3)c2)c1C(N)=O ZINC001182737976 912017146 /nfs/dbraw/zinc/01/71/46/912017146.db2.gz WFGLXQQWCJMMBE-LBPRGKRZSA-N -1 3 396.472 3.765 20 0 GHADHM CN(Cc1ccccc1Oc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182970585 912159523 /nfs/dbraw/zinc/15/95/23/912159523.db2.gz YTTLSUYBUSEUOO-UHFFFAOYSA-N -1 3 390.439 3.573 20 0 GHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)C1 ZINC001187137498 915049878 /nfs/dbraw/zinc/04/98/78/915049878.db2.gz CEERJBLWUMTLSI-MNOVXSKESA-N -1 3 394.306 3.844 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1Cl ZINC001187148618 915060575 /nfs/dbraw/zinc/06/05/75/915060575.db2.gz KKSBXXXGUFIYAH-UHFFFAOYSA-N -1 3 394.280 3.629 20 0 GHADHM C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1)c1nc(C2CCCCC2)no1 ZINC001187453848 915260847 /nfs/dbraw/zinc/26/08/47/915260847.db2.gz MPBSXWHVYPWQQF-AFAVFJNCSA-N -1 3 393.484 3.793 20 0 GHADHM O=C([N-]CC1CCN(C(=O)Nc2cccc(C3CCC3)c2)CC1)C(F)(F)F ZINC000291958212 915440312 /nfs/dbraw/zinc/44/03/12/915440312.db2.gz CFAQTVNMHBPNID-UHFFFAOYSA-N -1 3 383.414 3.877 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)c1 ZINC001187907484 915589247 /nfs/dbraw/zinc/58/92/47/915589247.db2.gz UJULARCPTCMXQN-LLVKDONJSA-N -1 3 381.910 3.563 20 0 GHADHM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CCCC1 ZINC001187958511 915646623 /nfs/dbraw/zinc/64/66/23/915646623.db2.gz HVVMWRRHFCFYER-QZTJIDSGSA-N -1 3 385.501 3.708 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC001187992780 915670275 /nfs/dbraw/zinc/67/02/75/915670275.db2.gz VHHNTWUAFLFMTB-MNOVXSKESA-N -1 3 377.680 3.876 20 0 GHADHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000901983637 921790013 /nfs/dbraw/zinc/79/00/13/921790013.db2.gz SLJWFHXMEPHLNT-GOSISDBHSA-N -1 3 375.465 3.797 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)C1(Cc2ccc(F)cc2)CC1 ZINC000648432052 915698684 /nfs/dbraw/zinc/69/86/84/915698684.db2.gz NYKZWGGXUCQQDX-UHFFFAOYSA-N -1 3 375.753 3.621 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccccn2)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188084402 915745359 /nfs/dbraw/zinc/74/53/59/915745359.db2.gz KUQOMJRZKBONKP-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CC1)c1cnc(Cl)c(Cl)c1 ZINC001188098185 915756330 /nfs/dbraw/zinc/75/63/30/915756330.db2.gz LLFXMDUYWTZJQG-UHFFFAOYSA-N -1 3 375.252 3.581 20 0 GHADHM CCCCN1CC[C@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686896 916004406 /nfs/dbraw/zinc/00/44/06/916004406.db2.gz SYITUCDXVASRRR-HXUWFJFHSA-N -1 3 378.900 3.691 20 0 GHADHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001188504048 916020325 /nfs/dbraw/zinc/02/03/25/916020325.db2.gz HEBHKFWZQUCPKZ-UHFFFAOYSA-N -1 3 383.333 3.665 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccc2ccccc2c1 ZINC001188507513 916022651 /nfs/dbraw/zinc/02/26/51/916022651.db2.gz JQEWOLNRARSYCM-IBGZPJMESA-N -1 3 375.490 3.554 20 0 GHADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001188616213 916058611 /nfs/dbraw/zinc/05/86/11/916058611.db2.gz QEDQHQZZXJYNOU-UHFFFAOYSA-N -1 3 392.315 3.788 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2C[C@@H](c3ccnc(C(C)C)n3)O[C@@H]2C1 ZINC001188640664 916099080 /nfs/dbraw/zinc/09/90/80/916099080.db2.gz UYSOZLHSBCTNNV-ZYSHUDEJSA-N -1 3 381.476 3.606 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC001188680994 916104869 /nfs/dbraw/zinc/10/48/69/916104869.db2.gz IGESMAYHNIBVQF-UHFFFAOYSA-N -1 3 398.278 3.568 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CCN([C@H](C)c4ccsc4)CC3)c2c1 ZINC000649394627 916139163 /nfs/dbraw/zinc/13/91/63/916139163.db2.gz ULMXRUMVEQUYCV-CQSZACIVSA-N -1 3 397.500 3.886 20 0 GHADHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)C(F)(F)F ZINC000775208130 916294764 /nfs/dbraw/zinc/29/47/64/916294764.db2.gz JVAJDWRMOUHLQP-SNVBAGLBSA-N -1 3 397.362 3.544 20 0 GHADHM Cc1nc(CCC(=O)[N-]OCC2CC2)oc1-c1ccc(Br)cc1 ZINC000293739299 916354402 /nfs/dbraw/zinc/35/44/02/916354402.db2.gz ITOUQIVZIWXOFW-UHFFFAOYSA-N -1 3 379.254 3.803 20 0 GHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c1 ZINC001189043307 916363284 /nfs/dbraw/zinc/36/32/84/916363284.db2.gz TVQLASYRXLMHDE-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC001189050163 916370358 /nfs/dbraw/zinc/37/03/58/916370358.db2.gz ZWOYYCKWACZLCR-UHFFFAOYSA-N -1 3 399.871 3.570 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1C ZINC001189079596 916394118 /nfs/dbraw/zinc/39/41/18/916394118.db2.gz GKMADRGMNOMMON-OAHLLOKOSA-N -1 3 393.427 3.571 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(OC)c3cccnc32)on1 ZINC000649804106 916433616 /nfs/dbraw/zinc/43/36/16/916433616.db2.gz PPJAETGYBQJREB-UHFFFAOYSA-N -1 3 389.477 3.614 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2Br)c1 ZINC001189191472 916450251 /nfs/dbraw/zinc/45/02/51/916450251.db2.gz JBSIVTFSRBMCIC-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(F)c2ccccc21 ZINC001189347536 916543962 /nfs/dbraw/zinc/54/39/62/916543962.db2.gz JNZITADQDADPAO-UHFFFAOYSA-N -1 3 386.448 3.616 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cncc(OCc2ccccc2)c1 ZINC001189425936 916628787 /nfs/dbraw/zinc/62/87/87/916628787.db2.gz KOHCHTYNXKAGMN-UHFFFAOYSA-N -1 3 390.411 3.881 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000294193192 916641842 /nfs/dbraw/zinc/64/18/42/916641842.db2.gz NMOXBADTSZECSW-KZULUSFZSA-N -1 3 390.842 3.667 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000294369889 916769219 /nfs/dbraw/zinc/76/92/19/916769219.db2.gz ZKIAARUFLQAPFG-GFCCVEGCSA-N -1 3 397.454 3.604 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c(F)c3)cccc21 ZINC000650199572 916791951 /nfs/dbraw/zinc/79/19/51/916791951.db2.gz WNSAOSCDZQNWHS-MRXNPFEDSA-N -1 3 384.860 3.665 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000650204692 916797732 /nfs/dbraw/zinc/79/77/32/916797732.db2.gz HFENAZRGMYYOER-UHFFFAOYSA-N -1 3 397.443 3.569 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189689571 916830319 /nfs/dbraw/zinc/83/03/19/916830319.db2.gz CHYWWUWQJLLKHY-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000294625190 916896019 /nfs/dbraw/zinc/89/60/19/916896019.db2.gz HFWINYWWGNNTHB-ROUUACIJSA-N -1 3 380.492 3.522 20 0 GHADHM COc1cc2c(cc1Cl)CN(C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)CC2 ZINC000294634526 916903857 /nfs/dbraw/zinc/90/38/57/916903857.db2.gz SGQYZJIXYZXJDP-UHFFFAOYSA-N -1 3 389.883 3.649 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1cc2nc(Cl)ncc2s1 ZINC001189794576 916929323 /nfs/dbraw/zinc/92/93/23/916929323.db2.gz QYTPNYBABCBXQS-MGCOHNPYSA-N -1 3 397.884 3.708 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000650505070 917040728 /nfs/dbraw/zinc/04/07/28/917040728.db2.gz PKERBIAMDKHTAN-QGZVFWFLSA-N -1 3 398.425 3.526 20 0 GHADHM COc1cc([O-])c(C(=O)NCCSCc2ccccc2Cl)c(OC)c1 ZINC001190144870 917125905 /nfs/dbraw/zinc/12/59/05/917125905.db2.gz GXUXCANBWPTEKV-UHFFFAOYSA-N -1 3 381.881 3.726 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(F)c1)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350603 917278855 /nfs/dbraw/zinc/27/88/55/917278855.db2.gz PEHXQONRGRECJR-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM COc1ccc(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c([O-])c1 ZINC000295594908 917372871 /nfs/dbraw/zinc/37/28/71/917372871.db2.gz KVMAMAHNQIXPLT-UHFFFAOYSA-N -1 3 386.395 3.896 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1cnn(C(C)C)c1 ZINC000651558463 917658255 /nfs/dbraw/zinc/65/82/55/917658255.db2.gz RBIYUVJBANCPDY-SNVBAGLBSA-N -1 3 392.344 3.636 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1c(F)cncc1F ZINC000651704399 917700162 /nfs/dbraw/zinc/70/01/62/917700162.db2.gz HSWDXEYGNCRNTL-ZCFIWIBFSA-N -1 3 387.260 3.909 20 0 GHADHM O=C(NCCCc1ccccc1)Nc1ccc(I)cc1[O-] ZINC001191209942 917825445 /nfs/dbraw/zinc/82/54/45/917825445.db2.gz CQYWZZVWLACNJB-UHFFFAOYSA-N -1 3 396.228 3.751 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc(C3CC3)n2Cc2ccco2)no1 ZINC000363180677 917872718 /nfs/dbraw/zinc/87/27/18/917872718.db2.gz JIKOYFLQJCIJGL-UHFFFAOYSA-N -1 3 395.444 3.845 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1Br ZINC001309691200 917909155 /nfs/dbraw/zinc/90/91/55/917909155.db2.gz ABFGWKPWKRYJIJ-LLVKDONJSA-N -1 3 388.299 3.841 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC001191370837 917972464 /nfs/dbraw/zinc/97/24/64/917972464.db2.gz DXHKSPOEXOANDO-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2F)cc1 ZINC001191450694 917981406 /nfs/dbraw/zinc/98/14/06/917981406.db2.gz DNMJAFIZUCRIMT-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000652713566 917988803 /nfs/dbraw/zinc/98/88/03/917988803.db2.gz RHFQOZWRDQPDSL-RCCFBDPRSA-N -1 3 389.499 3.652 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3)c2)n1 ZINC000363290218 918037144 /nfs/dbraw/zinc/03/71/44/918037144.db2.gz XOCDGGHUULCDAK-UHFFFAOYSA-N -1 3 385.427 3.850 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnc3n2[C@H](C)CCC3)[nH][n-]1 ZINC000653018952 918088559 /nfs/dbraw/zinc/08/85/59/918088559.db2.gz YJTNFILEJSLOFZ-LLVKDONJSA-N -1 3 385.855 3.507 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccco1 ZINC000296299568 918103823 /nfs/dbraw/zinc/10/38/23/918103823.db2.gz NNMKEKVHRKCXJG-DYVFJYSZSA-N -1 3 385.432 3.732 20 0 GHADHM COc1cc(C(=O)Nc2c([O-])cccc2C(C)=O)c(OC)cc1Br ZINC001191736969 918188258 /nfs/dbraw/zinc/18/82/58/918188258.db2.gz DTKBCCUWCZLWLO-UHFFFAOYSA-N -1 3 394.221 3.627 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191894388 918284674 /nfs/dbraw/zinc/28/46/74/918284674.db2.gz SVWBIMCPSLYAIL-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOc4c(OC)cccc43)nc2)n1 ZINC000363510522 918350443 /nfs/dbraw/zinc/35/04/43/918350443.db2.gz KOFIASDQZVSATQ-MRXNPFEDSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)o1 ZINC001192177589 918527883 /nfs/dbraw/zinc/52/78/83/918527883.db2.gz GBUYHZUMGQPXOJ-UHFFFAOYSA-N -1 3 398.200 3.848 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1CN(CC(=O)N1c3ccccc3CCc3ccccc31)C2 ZINC000297123202 919078226 /nfs/dbraw/zinc/07/82/26/919078226.db2.gz YBYQZZAVRVKWKI-CYFREDJKSA-N -1 3 390.483 3.637 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000115646938 919461077 /nfs/dbraw/zinc/46/10/77/919461077.db2.gz VHIYNSGVOFFEBP-SNVBAGLBSA-N -1 3 393.321 3.873 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000115646938 919461083 /nfs/dbraw/zinc/46/10/83/919461083.db2.gz VHIYNSGVOFFEBP-SNVBAGLBSA-N -1 3 393.321 3.873 20 0 GHADHM C[C@H]1CCN(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c2ccccc2S1 ZINC000115646887 919461225 /nfs/dbraw/zinc/46/12/25/919461225.db2.gz ZGCOPSDHVAAGDG-ZDUSSCGKSA-N -1 3 397.456 3.744 20 0 GHADHM C[C@H]1CCN(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c2ccccc2S1 ZINC000115646887 919461230 /nfs/dbraw/zinc/46/12/30/919461230.db2.gz ZGCOPSDHVAAGDG-ZDUSSCGKSA-N -1 3 397.456 3.744 20 0 GHADHM Cc1ccnc(CNC[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1Br ZINC000900079055 919812872 /nfs/dbraw/zinc/81/28/72/919812872.db2.gz LHLALHIGTXKFJO-CYBMUJFWSA-N -1 3 381.245 3.640 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2scnc2C(F)(F)F)nc1C1CC1 ZINC000297982404 920047947 /nfs/dbraw/zinc/04/79/47/920047947.db2.gz YACZLMQEZTYJFF-UHFFFAOYSA-N -1 3 377.369 3.535 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000800493322 920179848 /nfs/dbraw/zinc/17/98/48/920179848.db2.gz WBVNFVYHEGPHMU-UHFFFAOYSA-N -1 3 384.758 3.585 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2nc3ccccc3s2)C2CC2)c(=O)[n-]1 ZINC000900669809 920501585 /nfs/dbraw/zinc/50/15/85/920501585.db2.gz PYWFDPQSMCVSMA-UHFFFAOYSA-N -1 3 382.489 3.533 20 0 GHADHM COc1ccc([C@@H](CNc2nc(C)c(C(=O)[O-])s2)N2CCCCC2)cc1 ZINC000900935628 920745476 /nfs/dbraw/zinc/74/54/76/920745476.db2.gz ZABZKRZFZFMDSH-MRXNPFEDSA-N -1 3 375.494 3.797 20 0 GHADHM COc1ncccc1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000801288768 920907316 /nfs/dbraw/zinc/90/73/16/920907316.db2.gz JYKGRJSGNOFGLO-UHFFFAOYSA-N -1 3 388.221 3.600 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Cl ZINC000901322964 921016340 /nfs/dbraw/zinc/01/63/40/921016340.db2.gz NDAVIWAAFANOPO-UHFFFAOYSA-N -1 3 398.246 3.644 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000801447789 921033208 /nfs/dbraw/zinc/03/32/08/921033208.db2.gz JTMYABNYFLXPJP-JOCHJYFZSA-N -1 3 384.476 3.922 20 0 GHADHM Cn1ccnc1SCc1ccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)o1 ZINC000298898452 921039133 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GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(OC)cc2)s1 ZINC000680858776 925636110 /nfs/dbraw/zinc/63/61/10/925636110.db2.gz CXVBBGKLVHNXHB-LJQANCHMSA-N -1 3 388.514 3.782 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(Cl)nc3C)c2)n1 ZINC000373088163 925853331 /nfs/dbraw/zinc/85/33/31/925853331.db2.gz ADIFFTUTFRFYEQ-UHFFFAOYSA-N -1 3 382.851 3.950 20 0 GHADHM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276164898 926402051 /nfs/dbraw/zinc/40/20/51/926402051.db2.gz KUPSUZPWTKFOQT-BLVKFPJESA-N -1 3 399.318 3.634 20 0 GHADHM CCOC(=O)[C@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)CC ZINC000411479356 926444067 /nfs/dbraw/zinc/44/40/67/926444067.db2.gz LXGPYQAIXZKRRS-BDJLRTHQSA-N -1 3 389.477 3.724 20 0 GHADHM O=C1OCCN1CCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000725842323 926465134 /nfs/dbraw/zinc/46/51/34/926465134.db2.gz FYINUMVEEAUOSE-UHFFFAOYSA-N -1 3 391.474 3.732 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000726846299 926890570 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GHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1[O-] ZINC000412346855 927360758 /nfs/dbraw/zinc/36/07/58/927360758.db2.gz VGRUWQMFWNYMEP-QGZVFWFLSA-N -1 3 389.249 3.633 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000374754816 927485894 /nfs/dbraw/zinc/48/58/94/927485894.db2.gz XZQZWBLSSLUZPS-HXUWFJFHSA-N -1 3 375.419 3.638 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1Cl ZINC000751156446 928053303 /nfs/dbraw/zinc/05/33/03/928053303.db2.gz VGLLUZUREACRHU-KRWDZBQOSA-N -1 3 379.840 3.644 20 0 GHADHM CCCCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1[C@H](CC)N(C)C ZINC000412988268 928078215 /nfs/dbraw/zinc/07/82/15/928078215.db2.gz XRUUKZRJJPULSU-HNNXBMFYSA-N -1 3 390.557 3.756 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/SC)ccc2C)cc1 ZINC000751458303 928203300 /nfs/dbraw/zinc/20/33/00/928203300.db2.gz QWUTWJFTTYGNQG-ZHACJKMWSA-N -1 3 392.502 3.620 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1c(F)cccc1F ZINC000751469347 928207360 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GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000753203760 929250950 /nfs/dbraw/zinc/25/09/50/929250950.db2.gz JHMSWAJNFRHYSP-CQSZACIVSA-N -1 3 392.377 3.999 20 0 GHADHM CC1([C@@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)OCCO1 ZINC000753332590 929306773 /nfs/dbraw/zinc/30/67/73/929306773.db2.gz HBCVLTAUPQLULE-HXUWFJFHSA-N -1 3 395.499 3.793 20 0 GHADHM CCc1noc(-c2ccc(NC(=O)c3nnc4ccccc4c3[O-])c(Cl)c2)n1 ZINC000753657590 929466713 /nfs/dbraw/zinc/46/67/13/929466713.db2.gz KAZOMLITRMZMBZ-UHFFFAOYSA-N -1 3 395.806 3.854 20 0 GHADHM COCCOc1cc(C)ccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469252629 929736184 /nfs/dbraw/zinc/73/61/84/929736184.db2.gz RMCRBNCQMNJYKJ-UHFFFAOYSA-N -1 3 375.440 3.504 20 0 GHADHM CCCc1nc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)no1 ZINC000757727596 929784658 /nfs/dbraw/zinc/78/46/58/929784658.db2.gz HZBRUIUREKFYAU-UHFFFAOYSA-N -1 3 391.225 3.532 20 0 GHADHM COc1cccc(N2CCC[C@@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000469372421 929828857 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3.908 20 0 GHADHM Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000759658083 930442093 /nfs/dbraw/zinc/44/20/93/930442093.db2.gz BRLFTUXLXLSOTF-WOJGMQOQSA-N -1 3 395.438 3.761 20 0 GHADHM CCc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)n1 ZINC000546934290 930541787 /nfs/dbraw/zinc/54/17/87/930541787.db2.gz FNBDBHZSBBCECK-AWNIVKPZSA-N -1 3 385.445 3.612 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCC(C)(C)C)cs2)c1 ZINC000546935649 930543130 /nfs/dbraw/zinc/54/31/30/930543130.db2.gz JUPLYQZWSPSOBR-UHFFFAOYSA-N -1 3 389.521 3.894 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)F)c1)c1noc(Cc2ccccc2)n1 ZINC000780810468 930602653 /nfs/dbraw/zinc/60/26/53/930602653.db2.gz PPHDMGFTSWNVAX-LBPRGKRZSA-N -1 3 393.415 3.638 20 0 GHADHM CCOc1cc(/C=C/C(=O)Nc2cc(Br)ccc2[O-])ccc1O ZINC000780994975 930665214 /nfs/dbraw/zinc/66/52/14/930665214.db2.gz XCNFBJFBVOUQAP-XBXARRHUSA-N -1 3 378.222 3.911 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000781063628 930690569 /nfs/dbraw/zinc/69/05/69/930690569.db2.gz QABXRZCNMOBZRS-UHFFFAOYSA-N -1 3 388.471 3.513 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)COCC(F)(F)F ZINC000470617737 930753765 /nfs/dbraw/zinc/75/37/65/930753765.db2.gz IOTLGRPZEMFXLF-QMMMGPOBSA-N -1 3 385.791 3.640 20 0 GHADHM Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2s1 ZINC000781408048 930833353 /nfs/dbraw/zinc/83/33/53/930833353.db2.gz FLLNZEGEDLTENL-MRXNPFEDSA-N -1 3 381.457 3.554 20 0 GHADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1nnc2ccccc2c1[O-] ZINC000781745602 930959833 /nfs/dbraw/zinc/95/98/33/930959833.db2.gz HOCKFLVVCGJWDF-UHFFFAOYSA-N -1 3 387.361 3.816 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC000782035993 931067989 /nfs/dbraw/zinc/06/79/89/931067989.db2.gz NREGWEVBEISRKE-UHFFFAOYSA-N -1 3 380.278 3.698 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)c12 ZINC000782629081 931286195 /nfs/dbraw/zinc/28/61/95/931286195.db2.gz RJDGRCQHXQZCTH-UHFFFAOYSA-N -1 3 392.371 3.521 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc4c(cc3Cl)OCCO4)c[n-]c12 ZINC000557395697 931399855 /nfs/dbraw/zinc/39/98/55/931399855.db2.gz FXRGBMVWQKUGLV-UHFFFAOYSA-N -1 3 388.782 3.653 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783397890 931536829 /nfs/dbraw/zinc/53/68/29/931536829.db2.gz UXXBAOBLXQICOP-UHFFFAOYSA-N -1 3 397.412 3.753 20 0 GHADHM C[C@@H](CO[N-]C(=O)C1(Cc2ccc(Cl)cc2)CC1)NC(=O)OC(C)(C)C ZINC000783665263 931612329 /nfs/dbraw/zinc/61/23/29/931612329.db2.gz YZXZFVQHMOGXCV-ZDUSSCGKSA-N -1 3 382.888 3.624 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Br)cc2Cl)c2ccccc21 ZINC000783678128 931615365 /nfs/dbraw/zinc/61/53/65/931615365.db2.gz DTCODWQBAWPFCC-XYOKQWHBSA-N -1 3 377.625 3.826 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783888800 931705422 /nfs/dbraw/zinc/70/54/22/931705422.db2.gz VGWMSEDBCVXVSC-GFCCVEGCSA-N -1 3 384.363 3.534 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](F)C(C)C)ccc2C)cc1 ZINC000784144890 931797500 /nfs/dbraw/zinc/79/75/00/931797500.db2.gz LMTSFIDAKWMWPO-GOSISDBHSA-N -1 3 394.468 3.737 20 0 GHADHM Cc1nnc([C@@H](C)OC(=O)c2n[n-]c(-c3ccccc3)c2Br)s1 ZINC000784232237 931827753 /nfs/dbraw/zinc/82/77/53/931827753.db2.gz XQTHKLPJNPFNRV-MRVPVSSYSA-N -1 3 393.266 3.917 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000558091376 931836814 /nfs/dbraw/zinc/83/68/14/931836814.db2.gz JNRXCHJGGOSHEP-SNVBAGLBSA-N -1 3 379.734 3.561 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(C(F)(F)F)cc1O ZINC000784562720 931939739 /nfs/dbraw/zinc/93/97/39/931939739.db2.gz MVOLCDPLEUTMDI-UHFFFAOYSA-N -1 3 380.278 3.524 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)N=c2cc4ccccn4[n-]2)C3)cs1 ZINC000558464406 932017064 /nfs/dbraw/zinc/01/70/64/932017064.db2.gz YDAZJNYNTMMIKT-UHFFFAOYSA-N -1 3 395.513 3.840 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000797748446 932393600 /nfs/dbraw/zinc/39/36/00/932393600.db2.gz KWHRADRXZQMSHL-UHFFFAOYSA-N -1 3 381.400 3.639 20 0 GHADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1 ZINC000559198269 932507024 /nfs/dbraw/zinc/50/70/24/932507024.db2.gz RZIASWQDYHAKAW-ZDUSSCGKSA-N -1 3 390.983 3.705 20 0 GHADHM Cc1c(Cl)cccc1NC(=S)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798373459 932619438 /nfs/dbraw/zinc/61/94/38/932619438.db2.gz BHXVNVNJKYJRCL-UHFFFAOYSA-N -1 3 393.862 3.736 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F ZINC000559743986 932833481 /nfs/dbraw/zinc/83/34/81/932833481.db2.gz DIIRIHYFUNBBIO-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](c4ccccn4)C3)cc2)cc(=O)[n-]1 ZINC000799181312 932901645 /nfs/dbraw/zinc/90/16/45/932901645.db2.gz HEEFBXHYVCIJIT-INIZCTEOSA-N -1 3 375.432 3.574 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000559933593 932968455 /nfs/dbraw/zinc/96/84/55/932968455.db2.gz BXTITMYOCKOAKJ-GFCCVEGCSA-N -1 3 399.472 3.878 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1nc(-c2ccncc2)no1 ZINC000560270960 933175434 /nfs/dbraw/zinc/17/54/34/933175434.db2.gz HYVMCQZJXKYIPH-SFHVURJKSA-N -1 3 398.488 3.685 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCCOC(c1ccccc1)c1ccccc1 ZINC001115841063 933218482 /nfs/dbraw/zinc/21/84/82/933218482.db2.gz OSWCIAZREKFGMZ-UHFFFAOYSA-N -1 3 392.455 3.773 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1[O-] ZINC000560551198 933334949 /nfs/dbraw/zinc/33/49/49/933334949.db2.gz TUKVUHVUQJOKCL-UHFFFAOYSA-N -1 3 381.407 3.718 20 0 GHADHM CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1F ZINC000777786696 933462876 /nfs/dbraw/zinc/46/28/76/933462876.db2.gz AVJJICFVMTUKJY-GOSISDBHSA-N -1 3 395.434 3.586 20 0 GHADHM Cc1cc(CN(C)C)cc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC001137562549 933528803 /nfs/dbraw/zinc/52/88/03/933528803.db2.gz DDNBBSIRNIXBBD-UHFFFAOYSA-N -1 3 384.867 3.854 20 0 GHADHM O=S(=O)([N-]Cc1cc(OCC(F)F)ccn1)c1c(Cl)cccc1Cl ZINC001116490410 933588678 /nfs/dbraw/zinc/58/86/78/933588678.db2.gz FDBXYRKRGJOJRR-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM Cc1nc(NC(=O)c2cc([O-])ccc2Cl)ccc1I ZINC000560919617 933689442 /nfs/dbraw/zinc/68/94/42/933689442.db2.gz YVNLBJCPJMDVHE-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc(-c4cccs4)s3)cc2n(C)c1=O ZINC001117691214 933984510 /nfs/dbraw/zinc/98/45/10/933984510.db2.gz KFMZSCCSQWLAFV-UHFFFAOYSA-N -1 3 385.470 3.625 20 0 GHADHM CC[C@]1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC001118280721 934127075 /nfs/dbraw/zinc/12/70/75/934127075.db2.gz QTOSCISRCKSLCW-FQEVSTJZSA-N -1 3 376.453 3.571 20 0 GHADHM CCC(C)(C)[C@@H]1CCc2nc([N-]C(=O)c3cc(C(=O)OC)on3)sc2C1 ZINC000561641873 934331840 /nfs/dbraw/zinc/33/18/40/934331840.db2.gz ZWHWBCAIHXHSJI-SNVBAGLBSA-N -1 3 377.466 3.711 20 0 GHADHM CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC[C@H]1c1ccccc1 ZINC001149085442 934347462 /nfs/dbraw/zinc/34/74/62/934347462.db2.gz ACNONASPZRJHBP-UYAOXDASSA-N -1 3 394.515 3.863 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC=CCC2)cc1 ZINC000931618220 934646474 /nfs/dbraw/zinc/64/64/74/934646474.db2.gz VMDJPIJPWGVQBO-UHFFFAOYSA-N -1 3 385.489 3.898 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC(C)(F)C2)cc1 ZINC000931622527 934648076 /nfs/dbraw/zinc/64/80/76/934648076.db2.gz QTMGZULNXYXBLQ-UHFFFAOYSA-N -1 3 391.468 3.680 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000562249421 934786926 /nfs/dbraw/zinc/78/69/26/934786926.db2.gz VMBYBQNMKVWMIT-HNNXBMFYSA-N -1 3 397.500 3.807 20 0 GHADHM C/C(=C\c1ccc(C)cc1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123378437 935174678 /nfs/dbraw/zinc/17/46/78/935174678.db2.gz GSIWEKVLOAXKIN-SIAYCOCNSA-N -1 3 392.499 3.634 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829640820 935838035 /nfs/dbraw/zinc/83/80/35/935838035.db2.gz VTXQBRMMKXSWJE-QGZVFWFLSA-N -1 3 394.487 3.616 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)c(OC)c2)c([O-])c1 ZINC001137939936 935882018 /nfs/dbraw/zinc/88/20/18/935882018.db2.gz XRHCTMWBZHYGCQ-UHFFFAOYSA-N -1 3 383.322 3.849 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(OC)c2[O-])c1 ZINC000829974908 935887062 /nfs/dbraw/zinc/88/70/62/935887062.db2.gz LXXJGGFPQPAYOD-UHFFFAOYSA-N -1 3 392.411 3.914 20 0 GHADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])c1C ZINC000908881117 939343549 /nfs/dbraw/zinc/34/35/49/939343549.db2.gz BYZNOADGKJTDEL-DSKINZAPSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1cc(N(Cc2cccs2)C2CC2)ccc1-c1nnn[n-]1 ZINC001573280671 946665432 /nfs/dbraw/zinc/66/54/32/946665432.db2.gz VZAMMAMQSAYIKG-UHFFFAOYSA-N -1 3 376.283 3.860 20 0 GHADHM Brc1cc(N(Cc2cccs2)C2CC2)ccc1-c1nn[n-]n1 ZINC001573280671 946665436 /nfs/dbraw/zinc/66/54/36/946665436.db2.gz VZAMMAMQSAYIKG-UHFFFAOYSA-N -1 3 376.283 3.860 20 0 GHADHM C/C(=C(\F)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CC1 ZINC001573358979 947674759 /nfs/dbraw/zinc/67/47/59/947674759.db2.gz SQDMRKOKWQNGDP-GZTJUZNOSA-N -1 3 380.383 3.646 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001573364153 947721209 /nfs/dbraw/zinc/72/12/09/947721209.db2.gz GWISZLTZDWWEIO-ZRDIBKRKSA-N -1 3 394.866 3.836 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001573364153 947721217 /nfs/dbraw/zinc/72/12/17/947721217.db2.gz GWISZLTZDWWEIO-ZRDIBKRKSA-N -1 3 394.866 3.836 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001573364620 947722378 /nfs/dbraw/zinc/72/23/78/947722378.db2.gz IAPQWUGVMODHIV-SSZFMOIBSA-N -1 3 393.516 3.628 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001573364620 947722392 /nfs/dbraw/zinc/72/23/92/947722392.db2.gz IAPQWUGVMODHIV-SSZFMOIBSA-N -1 3 393.516 3.628 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528516433 948544868 /nfs/dbraw/zinc/54/48/68/948544868.db2.gz RPIVLMGCPDOZRQ-UHFFFAOYSA-N -1 3 391.353 3.524 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528516433 948544874 /nfs/dbraw/zinc/54/48/74/948544874.db2.gz RPIVLMGCPDOZRQ-UHFFFAOYSA-N -1 3 391.353 3.524 20 0 GHADHM CC(C)[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccc(F)cc1 ZINC001574079971 948778517 /nfs/dbraw/zinc/77/85/17/948778517.db2.gz MMBKMUZALLLJRE-INIZCTEOSA-N -1 3 390.369 3.803 20 0 GHADHM CC(C)[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccc(F)cc1 ZINC001574079971 948778526 /nfs/dbraw/zinc/77/85/26/948778526.db2.gz MMBKMUZALLLJRE-INIZCTEOSA-N -1 3 390.369 3.803 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(F)cc(Cl)c1 ZINC001574082092 948847787 /nfs/dbraw/zinc/84/77/87/948847787.db2.gz AFCXSFKMMSDOAQ-INIZCTEOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(F)cc(Cl)c1 ZINC001574082092 948847803 /nfs/dbraw/zinc/84/78/03/948847803.db2.gz AFCXSFKMMSDOAQ-INIZCTEOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C1CCC1)C1CCC1 ZINC001574082471 948856777 /nfs/dbraw/zinc/85/67/77/948856777.db2.gz DQWZUPAZFOQQCP-HXUWFJFHSA-N -1 3 397.523 3.603 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C1CCC1)C1CCC1 ZINC001574082471 948856793 /nfs/dbraw/zinc/85/67/93/948856793.db2.gz DQWZUPAZFOQQCP-HXUWFJFHSA-N -1 3 397.523 3.603 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2cc(Cl)ccc21 ZINC001574082740 948865426 /nfs/dbraw/zinc/86/54/26/948865426.db2.gz IKPLQFOKXDMXQX-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2cc(Cl)ccc21 ZINC001574082740 948865439 /nfs/dbraw/zinc/86/54/39/948865439.db2.gz IKPLQFOKXDMXQX-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001574083238 948883406 /nfs/dbraw/zinc/88/34/06/948883406.db2.gz QULVGZCKZGBZJL-JZXOWHBKSA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001574083238 948883426 /nfs/dbraw/zinc/88/34/26/948883426.db2.gz QULVGZCKZGBZJL-JZXOWHBKSA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC001574089943 948972471 /nfs/dbraw/zinc/97/24/71/948972471.db2.gz JLJCUYUCKBLXFL-QFBILLFUSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC001574089943 948972480 /nfs/dbraw/zinc/97/24/80/948972480.db2.gz JLJCUYUCKBLXFL-QFBILLFUSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001574092059 949039256 /nfs/dbraw/zinc/03/92/56/949039256.db2.gz RBPYQEYWTWKACV-SIKLNZKXSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001574092059 949039281 /nfs/dbraw/zinc/03/92/81/949039281.db2.gz RBPYQEYWTWKACV-SIKLNZKXSA-N -1 3 391.475 3.610 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1F ZINC001575503250 949043608 /nfs/dbraw/zinc/04/36/08/949043608.db2.gz NUVNHPORVLBIHD-FZKQIMNGSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1F ZINC001575503250 949043622 /nfs/dbraw/zinc/04/36/22/949043622.db2.gz NUVNHPORVLBIHD-FZKQIMNGSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)c1c[nH]c2ncccc12 ZINC001575504963 949097873 /nfs/dbraw/zinc/09/78/73/949097873.db2.gz ZZSCNNIBAOVJCK-SECBINFHSA-N -1 3 384.852 3.760 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)c1c[nH]c2ncccc12 ZINC001575504963 949097892 /nfs/dbraw/zinc/09/78/92/949097892.db2.gz ZZSCNNIBAOVJCK-SECBINFHSA-N -1 3 384.852 3.760 20 0 GHADHM CC(C)(C(=O)NCc1c(Cl)oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001573783210 949147115 /nfs/dbraw/zinc/14/71/15/949147115.db2.gz YLNZDBFSOKOKRP-UHFFFAOYSA-N -1 3 395.850 3.860 20 0 GHADHM CC(C)(C(=O)NCc1c(Cl)oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001573783210 949147121 /nfs/dbraw/zinc/14/71/21/949147121.db2.gz YLNZDBFSOKOKRP-UHFFFAOYSA-N -1 3 395.850 3.860 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CC12CCCCC2 ZINC001574098803 949164118 /nfs/dbraw/zinc/16/41/18/949164118.db2.gz FUSQAPNUYYVMBH-SFHVURJKSA-N -1 3 378.480 3.779 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CC12CCCCC2 ZINC001574098803 949164139 /nfs/dbraw/zinc/16/41/39/949164139.db2.gz FUSQAPNUYYVMBH-SFHVURJKSA-N -1 3 378.480 3.779 20 0 GHADHM CC(C)[C@H]1N(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC12CCCCC2 ZINC001574099173 949170880 /nfs/dbraw/zinc/17/08/80/949170880.db2.gz ISNGGFSZQFWDRG-GOSISDBHSA-N -1 3 397.498 3.855 20 0 GHADHM CC(C)[C@H]1N(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC12CCCCC2 ZINC001574099173 949170895 /nfs/dbraw/zinc/17/08/95/949170895.db2.gz ISNGGFSZQFWDRG-GOSISDBHSA-N -1 3 397.498 3.855 20 0 GHADHM CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001574099198 949172793 /nfs/dbraw/zinc/17/27/93/949172793.db2.gz JJVBIACAYNXCTD-GOSISDBHSA-N -1 3 375.476 3.931 20 0 GHADHM CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001574099198 949172806 /nfs/dbraw/zinc/17/28/06/949172806.db2.gz JJVBIACAYNXCTD-GOSISDBHSA-N -1 3 375.476 3.931 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)c1cscc1-c1nnn[n-]1)c1ccccn1 ZINC001575515001 949176288 /nfs/dbraw/zinc/17/62/88/949176288.db2.gz DYDVTGUTRFTGHJ-CYBMUJFWSA-N -1 3 376.445 3.731 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)c1cscc1-c1nn[n-]n1)c1ccccn1 ZINC001575515001 949176296 /nfs/dbraw/zinc/17/62/96/949176296.db2.gz DYDVTGUTRFTGHJ-CYBMUJFWSA-N -1 3 376.445 3.731 20 0 GHADHM CC1=C(C)C[C@H](C(=O)N(Cc2ccccc2)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575861900 949337806 /nfs/dbraw/zinc/33/78/06/949337806.db2.gz WSUXWBDBSWIPFD-GOSISDBHSA-N -1 3 388.475 3.931 20 0 GHADHM CC1=C(C)C[C@H](C(=O)N(Cc2ccccc2)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575861900 949337829 /nfs/dbraw/zinc/33/78/29/949337829.db2.gz WSUXWBDBSWIPFD-GOSISDBHSA-N -1 3 388.475 3.931 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576158812 949505202 /nfs/dbraw/zinc/50/52/02/949505202.db2.gz URCXDZZNOFFUFK-GJZGRUSLSA-N -1 3 377.448 3.825 20 0 GHADHM C[C@H]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576158812 949505209 /nfs/dbraw/zinc/50/52/09/949505209.db2.gz URCXDZZNOFFUFK-GJZGRUSLSA-N -1 3 377.448 3.825 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001576159517 949519705 /nfs/dbraw/zinc/51/97/05/949519705.db2.gz XWVPKGDMNIMJQW-SUMWQHHRSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001576159517 949519714 /nfs/dbraw/zinc/51/97/14/949519714.db2.gz XWVPKGDMNIMJQW-SUMWQHHRSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1ccc(F)cc1F ZINC001574950481 949537274 /nfs/dbraw/zinc/53/72/74/949537274.db2.gz POBTWBUBLHTWQH-LLVKDONJSA-N -1 3 398.417 3.948 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1ccc(F)cc1F ZINC001574950481 949537289 /nfs/dbraw/zinc/53/72/89/949537289.db2.gz POBTWBUBLHTWQH-LLVKDONJSA-N -1 3 398.417 3.948 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573825254 949867329 /nfs/dbraw/zinc/86/73/29/949867329.db2.gz OIZXYGGDKQTYHZ-BXUZGUMPSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573825254 949867349 /nfs/dbraw/zinc/86/73/49/949867349.db2.gz OIZXYGGDKQTYHZ-BXUZGUMPSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001573843239 950168226 /nfs/dbraw/zinc/16/82/26/950168226.db2.gz SQTSHMLMJZHVEF-NSHDSACASA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001573843239 950168244 /nfs/dbraw/zinc/16/82/44/950168244.db2.gz SQTSHMLMJZHVEF-NSHDSACASA-N -1 3 392.301 3.528 20 0 GHADHM CC(C)(C)CCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001573844638 950203366 /nfs/dbraw/zinc/20/33/66/950203366.db2.gz KZKJOFZHUIZWCY-UHFFFAOYSA-N -1 3 387.875 3.861 20 0 GHADHM CC(C)(C)CCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001573844638 950203383 /nfs/dbraw/zinc/20/33/83/950203383.db2.gz KZKJOFZHUIZWCY-UHFFFAOYSA-N -1 3 387.875 3.861 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(Br)cc2-c2nnn[n-]2)CCC1 ZINC001574167959 950498734 /nfs/dbraw/zinc/49/87/34/950498734.db2.gz MDTCAPWIXFRMEK-UHFFFAOYSA-N -1 3 392.301 3.575 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(Br)cc2-c2nn[n-]n2)CCC1 ZINC001574167959 950498741 /nfs/dbraw/zinc/49/87/41/950498741.db2.gz MDTCAPWIXFRMEK-UHFFFAOYSA-N -1 3 392.301 3.575 20 0 GHADHM CC1CCN(c2ccc(F)cc2NC(=O)c2csc(-c3nnn[n-]3)c2)CC1 ZINC001576213868 950650534 /nfs/dbraw/zinc/65/05/34/950650534.db2.gz JVTCHKSQNXHFJF-UHFFFAOYSA-N -1 3 386.456 3.556 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573882064 950767949 /nfs/dbraw/zinc/76/79/49/950767949.db2.gz QHSGHAPYSLVDAV-KRWDZBQOSA-N -1 3 391.479 3.928 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573882064 950767967 /nfs/dbraw/zinc/76/79/67/950767967.db2.gz QHSGHAPYSLVDAV-KRWDZBQOSA-N -1 3 391.479 3.928 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574183960 950771248 /nfs/dbraw/zinc/77/12/48/950771248.db2.gz CIZSIVVLZLUVDU-IEBWSBKVSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574183960 950771261 /nfs/dbraw/zinc/77/12/61/950771261.db2.gz CIZSIVVLZLUVDU-IEBWSBKVSA-N -1 3 382.512 3.854 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576221005 950843472 /nfs/dbraw/zinc/84/34/72/950843472.db2.gz YTERVQXYEFXQCX-FPNIURKZSA-N -1 3 398.467 3.800 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576221005 950843486 /nfs/dbraw/zinc/84/34/86/950843486.db2.gz YTERVQXYEFXQCX-FPNIURKZSA-N -1 3 398.467 3.800 20 0 GHADHM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001575640586 950896687 /nfs/dbraw/zinc/89/66/87/950896687.db2.gz IXPFPMMIDUTCLN-MRXNPFEDSA-N -1 3 383.402 3.758 20 0 GHADHM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001575640586 950896700 /nfs/dbraw/zinc/89/67/00/950896700.db2.gz IXPFPMMIDUTCLN-MRXNPFEDSA-N -1 3 383.402 3.758 20 0 GHADHM CC(C)CCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CC1CCC1 ZINC001574195665 951001252 /nfs/dbraw/zinc/00/12/52/951001252.db2.gz WRFBOBPZJOTYIL-UHFFFAOYSA-N -1 3 394.527 3.798 20 0 GHADHM CC(C)CCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CC1CCC1 ZINC001574195665 951001273 /nfs/dbraw/zinc/00/12/73/951001273.db2.gz WRFBOBPZJOTYIL-UHFFFAOYSA-N -1 3 394.527 3.798 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575184870 952425732 /nfs/dbraw/zinc/42/57/32/952425732.db2.gz FVYUELJJOUUAIS-ZDUSSCGKSA-N -1 3 397.479 3.713 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575184870 952425734 /nfs/dbraw/zinc/42/57/34/952425734.db2.gz FVYUELJJOUUAIS-ZDUSSCGKSA-N -1 3 397.479 3.713 20 0 GHADHM CC(Cl)(Cl)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575207605 952534376 /nfs/dbraw/zinc/53/43/76/952534376.db2.gz RSKWXRRSPUXJED-UHFFFAOYSA-N -1 3 378.219 3.791 20 0 GHADHM CC(Cl)(Cl)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575207605 952534377 /nfs/dbraw/zinc/53/43/77/952534377.db2.gz RSKWXRRSPUXJED-UHFFFAOYSA-N -1 3 378.219 3.791 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccsc1 ZINC001341345572 957978300 /nfs/dbraw/zinc/97/83/00/957978300.db2.gz VHPPGZRRTKLVNK-IAGOWNOFSA-N -1 3 381.542 3.560 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001357165124 958188550 /nfs/dbraw/zinc/18/85/50/958188550.db2.gz CMSIVNCXYRQCNV-SIKLNZKXSA-N -1 3 387.524 3.500 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC001588658389 960426130 /nfs/dbraw/zinc/42/61/30/960426130.db2.gz FXGFECOHGUWYKL-UHFFFAOYSA-N -1 3 378.488 3.720 20 0 GHADHM CCOC(=O)c1sc(NC(=O)CN(C(C)C)C2CCCC2)c(C(=O)[O-])c1C ZINC001573905304 961447069 /nfs/dbraw/zinc/44/70/69/961447069.db2.gz HBNFSTJROMXORS-UHFFFAOYSA-N -1 3 396.509 3.523 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)cs2)c(OC)c1 ZINC001549899565 962972774 /nfs/dbraw/zinc/97/27/74/962972774.db2.gz GTNYOEIDZBGYNM-XLIONFOSSA-N -1 3 388.489 3.657 20 0 GHADHM Cc1ccc(C(=O)[C@H](Oc2[n-]c(=O)nc3cnncc32)c2ccc(C)cc2)cc1 ZINC001226688438 1032077278 /nfs/dbraw/zinc/07/72/78/1032077278.db2.gz RMIVRAJPRQBPSM-HXUWFJFHSA-N -1 3 386.411 3.745 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@H]3CCC4(CCCCC4)O3)o2)C1 ZINC001605997228 973064161 /nfs/dbraw/zinc/06/41/61/973064161.db2.gz ACGFMSVYKXLZHH-FUHWJXTLSA-N -1 3 376.497 3.552 20 0 GHADHM CC(C)Oc1ccc(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc1Cl ZINC001591776968 975930729 /nfs/dbraw/zinc/93/07/29/975930729.db2.gz VOMSFUYSLDBDHT-FQEVSTJZSA-N -1 3 381.900 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC001591781000 975949270 /nfs/dbraw/zinc/94/92/70/975949270.db2.gz PNUQUTJBQKOHRT-RISCZKNCSA-N -1 3 389.370 3.858 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC001591780998 975949780 /nfs/dbraw/zinc/94/97/80/975949780.db2.gz PNUQUTJBQKOHRT-BXUZGUMPSA-N -1 3 389.370 3.858 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(OC(F)F)cc1F ZINC001592269329 977527498 /nfs/dbraw/zinc/52/74/98/977527498.db2.gz QISPSRGMEJLALC-LLVKDONJSA-N -1 3 396.365 3.632 20 0 GHADHM C[C@@](CC(=O)[O-])(NCc1ccc(Cl)c(Br)c1)c1cccnc1 ZINC001592327667 977742289 /nfs/dbraw/zinc/74/22/89/977742289.db2.gz COTVPNCASWWMSV-INIZCTEOSA-N -1 3 383.673 3.977 20 0 GHADHM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(NC2=NCCC2)cc1)C(=O)[O-] ZINC001592605538 978551819 /nfs/dbraw/zinc/55/18/19/978551819.db2.gz MGXADBLIVFGUNS-INIZCTEOSA-N -1 3 379.460 3.654 20 0 GHADHM C[C@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccccc1Br ZINC001592709849 979195767 /nfs/dbraw/zinc/19/57/67/979195767.db2.gz PFOQKOCSLWGWMQ-LLVKDONJSA-N -1 3 382.229 3.844 20 0 GHADHM C[C@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)N1CCc2ccccc2C1 ZINC001592729620 979244883 /nfs/dbraw/zinc/24/48/83/979244883.db2.gz OETMUPIBEUCSQT-GFCCVEGCSA-N -1 3 379.382 3.657 20 0 GHADHM CC[C@](NCc1cnc(-c2ccccc2OC)nc1)(C(=O)[O-])c1ccccc1 ZINC001595305694 980449817 /nfs/dbraw/zinc/44/98/17/980449817.db2.gz UETWIQCPFGYUDN-JOCHJYFZSA-N -1 3 377.444 3.632 20 0 GHADHM O=C([O-])[C@H]1CCCCCN1Cc1cc(OC(F)F)ccc1Br ZINC000902036816 980708695 /nfs/dbraw/zinc/70/86/95/980708695.db2.gz VXXKEXREGREZRV-CYBMUJFWSA-N -1 3 378.213 3.880 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccco1 ZINC001594995364 982892499 /nfs/dbraw/zinc/89/24/99/982892499.db2.gz WBMXRZYUHWHGMC-SJCJKPOMSA-N -1 3 384.436 3.710 20 0 GHADHM CCN(C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@H](C)c1ccc(F)cc1 ZINC001596142736 983494982 /nfs/dbraw/zinc/49/49/82/983494982.db2.gz DPUISODVOUVUQK-TYCQWZJGSA-N -1 3 398.478 3.535 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000467997274 1015119076 /nfs/dbraw/zinc/11/90/76/1015119076.db2.gz ZLNCKHFNKDKQME-ZDUSSCGKSA-N -1 3 393.287 3.909 20 0 GHADHM CCO[C@H]1C[C@@](NCc2nc3ccccc3c(C)c2Cl)(C(=O)[O-])C1(C)C ZINC001596839071 985515540 /nfs/dbraw/zinc/51/55/40/985515540.db2.gz YAOFHQVSJSTHRK-OXJNMPFZSA-N -1 3 376.884 3.945 20 0 GHADHM C[C@@H](c1cccs1)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545028916 1015382751 /nfs/dbraw/zinc/38/27/51/1015382751.db2.gz DTPYLCMQKDVXKU-QWRGUYRKSA-N -1 3 397.909 3.976 20 0 GHADHM CC(C)(C)OC(=O)N1CC2CC1(CNCc1cc(C(=O)[O-])ccc1Cl)C2 ZINC001589957999 988770729 /nfs/dbraw/zinc/77/07/29/988770729.db2.gz VCBYITSNVIAQRV-UHFFFAOYSA-N -1 3 380.872 3.527 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CN2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001590013035 988973631 /nfs/dbraw/zinc/97/36/31/988973631.db2.gz RWHYAGNUHRBPGG-CQSZACIVSA-N -1 3 392.471 3.529 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001590163248 989473009 /nfs/dbraw/zinc/47/30/09/989473009.db2.gz SEULEFYHMQUWEB-OAQYLSRUSA-N -1 3 391.512 3.543 20 0 GHADHM CN(C(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1)c1ccccc1 ZINC001598004966 990154559 /nfs/dbraw/zinc/15/45/59/990154559.db2.gz ZRYXPVKDVTYIRQ-FZKQIMNGSA-N -1 3 390.842 3.590 20 0 GHADHM CN(C)[C@H](CNC(=O)CSc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC001598170802 990703539 /nfs/dbraw/zinc/70/35/39/990703539.db2.gz SGEFHJFRRQQBRM-MRXNPFEDSA-N -1 3 392.908 3.549 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC001598203093 990827371 /nfs/dbraw/zinc/82/73/71/990827371.db2.gz PPLBGIASWLBDGA-INIZCTEOSA-N -1 3 379.819 3.602 20 0 GHADHM CC(C)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccc(F)cc1 ZINC001591024414 991314911 /nfs/dbraw/zinc/31/49/11/991314911.db2.gz BUXYAAQHQVIVKD-GOSISDBHSA-N -1 3 390.480 4.000 20 0 GHADHM CC(C)[C@H](O)[C@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1 ZINC001591035684 991354113 /nfs/dbraw/zinc/35/41/13/991354113.db2.gz FGZSSUZNQALYDW-MSOLQXFVSA-N -1 3 392.293 3.995 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598503049 992461552 /nfs/dbraw/zinc/46/15/52/992461552.db2.gz ACOOOVACVXGNGB-IYPOZPNPSA-N -1 3 382.460 3.504 20 0 GHADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC001591431437 992522870 /nfs/dbraw/zinc/52/28/70/992522870.db2.gz BQZFLDPKQWAAFB-HNNXBMFYSA-N -1 3 385.489 3.995 20 0 GHADHM CC(C)N(C(=O)CCc1ccccc1C(=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001591538389 992715968 /nfs/dbraw/zinc/71/59/68/992715968.db2.gz FUFDTUJNZSQSIT-NRFANRHFSA-N -1 3 394.515 3.829 20 0 GHADHM CN(Cc1ccsc1C(=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598533565 992819001 /nfs/dbraw/zinc/81/90/01/992819001.db2.gz IITJTHIZOCCXEX-ZDUSSCGKSA-N -1 3 390.288 3.625 20 0 GHADHM CN(Cc1ccsc1C(=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598533564 992819592 /nfs/dbraw/zinc/81/95/92/992819592.db2.gz IITJTHIZOCCXEX-CYBMUJFWSA-N -1 3 390.288 3.625 20 0 GHADHM O=C(NCCC(F)(F)F)[C@H]1CC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001277154790 1032125904 /nfs/dbraw/zinc/12/59/04/1032125904.db2.gz HIEZZSBJZUGYGI-CYBMUJFWSA-N -1 3 390.833 3.716 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)[C@@H](c1ccccc1)N(C)C ZINC001593115240 993799388 /nfs/dbraw/zinc/79/93/88/993799388.db2.gz MBJHAZNCGHDXIO-YJYMSZOUSA-N -1 3 380.448 3.679 20 0 GHADHM C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593208752 994229602 /nfs/dbraw/zinc/22/96/02/994229602.db2.gz FTOBRIVTSGNDKQ-PIAMENMFSA-N -1 3 396.871 3.861 20 0 GHADHM COc1ccc2oc([C@@H](C)NC[C@H](O)COc3ccc(C(=O)[O-])cc3)c(C)c2c1 ZINC001599638155 994318850 /nfs/dbraw/zinc/31/88/50/994318850.db2.gz WQDGYXAIVSCSDQ-ZBFHGGJFSA-N -1 3 399.443 3.539 20 0 GHADHM C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(C(=O)[O-])cs1 ZINC001593222933 994337848 /nfs/dbraw/zinc/33/78/48/994337848.db2.gz MJBQCFDWIXVVTL-SMDDNHRTSA-N -1 3 378.881 3.946 20 0 GHADHM C[C@H](NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ncc(C(=O)[O-])s1 ZINC001593245708 994439358 /nfs/dbraw/zinc/43/93/58/994439358.db2.gz AWUYKWMNMSRVGT-GWCFXTLKSA-N -1 3 387.427 3.814 20 0 GHADHM C[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1OCC(=O)[O-] ZINC001593246728 994456863 /nfs/dbraw/zinc/45/68/63/994456863.db2.gz OHPYFPIZODOXRL-BLLLJJGKSA-N -1 3 383.366 3.553 20 0 GHADHM C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593257526 994530222 /nfs/dbraw/zinc/53/02/22/994530222.db2.gz PJZVMEVORHICHU-OLZOCXBDSA-N -1 3 383.514 3.529 20 0 GHADHM C[C@@](NCC[S@@](=O)c1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593271234 994601381 /nfs/dbraw/zinc/60/13/81/994601381.db2.gz GEEJPIRCRKLDOC-BXKMTCNYSA-N -1 3 386.300 3.691 20 0 GHADHM C[C@](NCc1ccc(OCc2ccncc2)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298537 994715273 /nfs/dbraw/zinc/71/52/73/994715273.db2.gz KTEUDSFOYHBTNA-JOCHJYFZSA-N -1 3 380.419 3.889 20 0 GHADHM C[C@](NCc1ccc(OCc2ccccn2)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298505 994715429 /nfs/dbraw/zinc/71/54/29/994715429.db2.gz JZNHBICUNYGWGA-JOCHJYFZSA-N -1 3 380.419 3.889 20 0 GHADHM Cc1cccc(C)c1[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000545507764 1015964196 /nfs/dbraw/zinc/96/41/96/1015964196.db2.gz UFYNIIRLOGHGRS-KRWDZBQOSA-N -1 3 390.487 3.567 20 0 GHADHM C[C@H](Oc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1)C(=O)[O-] ZINC001593617083 995848742 /nfs/dbraw/zinc/84/87/42/995848742.db2.gz AOOHYAOJSUXTLC-UWJYYQICSA-N -1 3 383.488 3.922 20 0 GHADHM C[C@H](Oc1ccccc1CN1CC[C@H](Oc2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001593644201 995958290 /nfs/dbraw/zinc/95/82/90/995958290.db2.gz FJPQDGUXDUEVNT-KSSFIOAISA-N -1 3 375.852 3.845 20 0 GHADHM C[C@H](c1ccccc1F)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001593716701 996232515 /nfs/dbraw/zinc/23/25/15/996232515.db2.gz AIBHVVAFZDJFAV-SIIDASKGSA-N -1 3 377.456 3.641 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1nc(-c2ccncc2)cs1 ZINC000468797613 1016044512 /nfs/dbraw/zinc/04/45/12/1016044512.db2.gz COBUIPVIWIOXGC-UHFFFAOYSA-N -1 3 385.464 3.731 20 0 GHADHM CC1(C)CCC[C@@H]1[C@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001593898193 996759918 /nfs/dbraw/zinc/75/99/18/996759918.db2.gz TXDCLYICASJIIB-NUEKZKHPSA-N -1 3 376.522 3.700 20 0 GHADHM COc1cc(CN(CC(=O)[O-])Cc2cccc(Br)c2)ccc1F ZINC001599406011 997301824 /nfs/dbraw/zinc/30/18/24/997301824.db2.gz QMHLMMNZRQFUFP-UHFFFAOYSA-N -1 3 382.229 3.684 20 0 GHADHM COc1c(Br)cccc1CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599328912 997714346 /nfs/dbraw/zinc/71/43/46/997714346.db2.gz RNPCUSPATAJTGM-HZPDHXFCSA-N -1 3 390.277 3.758 20 0 GHADHM COC(=O)c1cc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc(C(=O)[O-])c1 ZINC001598932132 997780739 /nfs/dbraw/zinc/78/07/39/997780739.db2.gz RYYQELLIJPPNQI-UHFFFAOYSA-N -1 3 393.439 3.612 20 0 GHADHM COC(=O)c1cc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cc(C(=O)[O-])c1 ZINC001598932211 997784224 /nfs/dbraw/zinc/78/42/24/997784224.db2.gz NCIIEAXHHICYMT-CQSZACIVSA-N -1 3 393.443 3.516 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2cc(Br)ccc2C)C(=O)[O-])c1 ZINC001599452077 998122024 /nfs/dbraw/zinc/12/20/24/998122024.db2.gz DKRMOKAKRALFDJ-QGZVFWFLSA-N -1 3 394.265 3.690 20 0 GHADHM COc1ccc(CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC(F)F ZINC001599557874 998126558 /nfs/dbraw/zinc/12/65/58/998126558.db2.gz BQUGZDDMWHDXJO-ZDUSSCGKSA-N -1 3 395.402 3.781 20 0 GHADHM COc1cc(OC)cc(Oc2cccc(CN[C@@H](C(=O)[O-])c3cccnc3)c2)c1 ZINC001599454166 998159583 /nfs/dbraw/zinc/15/95/83/998159583.db2.gz ZWTXDGAHBKYWFL-OAQYLSRUSA-N -1 3 394.427 3.807 20 0 GHADHM COc1ccc(CN(Cc2ccc(OC)cc2)C[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1 ZINC001599559788 998168692 /nfs/dbraw/zinc/16/86/92/998168692.db2.gz PXXNDVHHFUZRCW-RTBURBONSA-N -1 3 391.414 3.672 20 0 GHADHM COc1ccc(CN2CCCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)cc1 ZINC001599562199 998219794 /nfs/dbraw/zinc/21/97/94/998219794.db2.gz WPSOVMCQNJXOSO-UHFFFAOYSA-N -1 3 388.895 3.755 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468913156 1016206942 /nfs/dbraw/zinc/20/69/42/1016206942.db2.gz IQXOQHJQDWPETM-OAHLLOKOSA-N -1 3 386.467 3.699 20 0 GHADHM COc1cc2c(cc1OC)[C@H](C1CC1)N(CCOc1cccc(C(=O)[O-])c1)CC2 ZINC001599464851 998341926 /nfs/dbraw/zinc/34/19/26/998341926.db2.gz JBPRFGPJTZOOOE-QFIPXVFZSA-N -1 3 397.471 3.790 20 0 GHADHM COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001599578258 998482712 /nfs/dbraw/zinc/48/27/12/998482712.db2.gz SNJYPEPRQUELIK-UGSOOPFHSA-N -1 3 395.286 3.996 20 0 GHADHM COC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001598971273 998519066 /nfs/dbraw/zinc/51/90/66/998519066.db2.gz ADNKLLKBYCCFFH-MRXNPFEDSA-N -1 3 381.350 3.750 20 0 GHADHM COC[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001599172536 998625904 /nfs/dbraw/zinc/62/59/04/998625904.db2.gz FGLWUQYNEKYAMY-SCLBCKFNSA-N -1 3 390.867 3.733 20 0 GHADHM COc1cc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000468948536 1016261347 /nfs/dbraw/zinc/26/13/47/1016261347.db2.gz KLVDHFSPYXTFOR-ZDUSSCGKSA-N -1 3 391.439 3.757 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2csc(C(=O)[O-])c2)[C@@H]1C ZINC001594307542 999188273 /nfs/dbraw/zinc/18/82/73/999188273.db2.gz BAGIZWIIDIHTLM-NFAWXSAZSA-N -1 3 382.526 3.960 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)CC2)CC1 ZINC001594317477 999224451 /nfs/dbraw/zinc/22/44/51/999224451.db2.gz BEZDESYZHAHQIU-UHFFFAOYSA-N -1 3 379.888 3.766 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc([C@@H]4C[C@H]4C(=O)[O-])cc3)CC2)CC1 ZINC001594317835 999225118 /nfs/dbraw/zinc/22/51/18/999225118.db2.gz CGVBKICXEDAKMI-OSXBXZONSA-N -1 3 385.508 3.603 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000469021956 1016347051 /nfs/dbraw/zinc/34/70/51/1016347051.db2.gz OEQRYDOCMVMLGZ-UHFFFAOYSA-N -1 3 386.345 3.507 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCOC[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC001154510860 1032152993 /nfs/dbraw/zinc/15/29/93/1032152993.db2.gz OMESHQZMOIHTDX-GOSISDBHSA-N -1 3 398.846 3.816 20 0 GHADHM COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001154571644 1032189764 /nfs/dbraw/zinc/18/97/64/1032189764.db2.gz UKKMEQMOPKKXRE-IBGZPJMESA-N -1 3 389.407 3.806 20 0 GHADHM CC(C)Oc1ccc(COc2cccc([O-])c2I)cn1 ZINC001227379126 1032396108 /nfs/dbraw/zinc/39/61/08/1032396108.db2.gz BSWCHMSBLCIILJ-UHFFFAOYSA-N -1 3 385.201 3.758 20 0 GHADHM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155187336 1032449639 /nfs/dbraw/zinc/44/96/39/1032449639.db2.gz YOJIOWDQJFUXNX-UHFFFAOYSA-N -1 3 389.806 3.802 20 0 GHADHM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155187336 1032449646 /nfs/dbraw/zinc/44/96/46/1032449646.db2.gz YOJIOWDQJFUXNX-UHFFFAOYSA-N -1 3 389.806 3.802 20 0 GHADHM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155187336 1032449651 /nfs/dbraw/zinc/44/96/51/1032449651.db2.gz YOJIOWDQJFUXNX-UHFFFAOYSA-N -1 3 389.806 3.802 20 0 GHADHM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001227716646 1032527952 /nfs/dbraw/zinc/52/79/52/1032527952.db2.gz TXLNCKHUTACYJP-CMPLNLGQSA-N -1 3 396.274 3.734 20 0 GHADHM COc1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000777626153 1017418186 /nfs/dbraw/zinc/41/81/86/1017418186.db2.gz QBQGGTFHKABMKZ-CRAIPNDOSA-N -1 3 390.505 3.647 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC000559581843 1017472223 /nfs/dbraw/zinc/47/22/23/1017472223.db2.gz LNHCDEZVRMPTIT-GCZXYKMCSA-N -1 3 390.427 3.842 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2[n-]c(=O)nc3cccnc32)C(F)(F)F)c1 ZINC001228005363 1032734454 /nfs/dbraw/zinc/73/44/54/1032734454.db2.gz PRLYTBXEJKVAAE-AWEZNQCLSA-N -1 3 393.321 3.590 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1 ZINC001228008562 1032735822 /nfs/dbraw/zinc/73/58/22/1032735822.db2.gz PDOFVGQDPFHCAN-LJQANCHMSA-N -1 3 387.395 3.594 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000563522995 1018925107 /nfs/dbraw/zinc/92/51/07/1018925107.db2.gz NWFUQRSCFFBPBN-UHFFFAOYSA-N -1 3 376.859 3.921 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(F)c(N3CCCCC3)c(F)c2)c2ccccc21 ZINC000778517941 1019215463 /nfs/dbraw/zinc/21/54/63/1019215463.db2.gz NEGNKNDFYGFNDO-FOWTUZBSSA-N -1 3 383.398 3.678 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)cc1Cl ZINC000567552459 1019311472 /nfs/dbraw/zinc/31/14/72/1019311472.db2.gz PMSZDGCUPOWYRC-HDJSIYSDSA-N -1 3 396.871 3.662 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1 ZINC000568456363 1019409756 /nfs/dbraw/zinc/40/97/56/1019409756.db2.gz DGMMCJPOTXXPIU-UHFFFAOYSA-N -1 3 396.459 3.857 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000569895883 1019533511 /nfs/dbraw/zinc/53/35/11/1019533511.db2.gz UWTBDJOSZPXQOU-UHFFFAOYSA-N -1 3 383.466 3.666 20 0 GHADHM Cc1csc(C(=O)[N-]c2nnc(C3CC3)s2)c1I ZINC000572061941 1019735942 /nfs/dbraw/zinc/73/59/42/1019735942.db2.gz DGZRWWODCDPYAF-UHFFFAOYSA-N -1 3 391.259 3.642 20 0 GHADHM O=C([O-])[C@H](CCSc1ccccc1)NCc1ncc(Br)cc1F ZINC000630458492 1020824401 /nfs/dbraw/zinc/82/44/01/1020824401.db2.gz AEBWSWYADQODTJ-AWEZNQCLSA-N -1 3 399.285 3.708 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC001156279973 1032955853 /nfs/dbraw/zinc/95/58/53/1032955853.db2.gz WUDSRQJHTFIWMY-CQSZACIVSA-N -1 3 379.851 3.874 20 0 GHADHM Cc1cccc(-c2cc(C(F)(F)NCCCc3c[n-][nH]c3=O)cnc2Cl)c1 ZINC001156284957 1032958844 /nfs/dbraw/zinc/95/88/44/1032958844.db2.gz AECFYCXXBQCCBE-AWEZNQCLSA-N -1 3 392.837 3.861 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1nc[n-]c1C(F)(F)F ZINC000834539258 1021255792 /nfs/dbraw/zinc/25/57/92/1021255792.db2.gz QUCKNFNSSWNPOZ-UHFFFAOYSA-N -1 3 375.354 3.881 20 0 GHADHM Cc1cc(C)c(/C=C\C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1C ZINC001140270440 1021295148 /nfs/dbraw/zinc/29/51/48/1021295148.db2.gz AWZMSSISECEDAY-LZDOZHLXSA-N -1 3 381.476 3.505 20 0 GHADHM Cc1cccc(NC(=O)[C@H](OC(=O)c2cc(F)cc3[n-]nnc32)C(C)C)c1C ZINC000800259511 1021299735 /nfs/dbraw/zinc/29/97/35/1021299735.db2.gz OKVSHUFBCBBIPX-GOSISDBHSA-N -1 3 384.411 3.534 20 0 GHADHM Cc1cccc(NC(=O)[C@H](OC(=O)c2cc(F)cc3nn[n-]c32)C(C)C)c1C ZINC000800259511 1021299742 /nfs/dbraw/zinc/29/97/42/1021299742.db2.gz OKVSHUFBCBBIPX-GOSISDBHSA-N -1 3 384.411 3.534 20 0 GHADHM Cc1cccc(NC(=O)[C@H](OC(=O)c2cc(F)cc3n[n-]nc32)C(C)C)c1C ZINC000800259511 1021299747 /nfs/dbraw/zinc/29/97/47/1021299747.db2.gz OKVSHUFBCBBIPX-GOSISDBHSA-N -1 3 384.411 3.534 20 0 GHADHM COCCOc1cc(C)ccc1CNCc1ccnc2c(C(=O)[O-])cccc12 ZINC000902345232 1021504387 /nfs/dbraw/zinc/50/43/87/1021504387.db2.gz OVVRFDDFJUXKQH-UHFFFAOYSA-N -1 3 380.444 3.556 20 0 GHADHM Cc1nn(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1Cl ZINC000903164543 1021580677 /nfs/dbraw/zinc/58/06/77/1021580677.db2.gz BKTLZRMMWHIXPL-UHFFFAOYSA-N -1 3 388.198 3.855 20 0 GHADHM Cc1[nH]c(CN(C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001140496347 1021864684 /nfs/dbraw/zinc/86/46/84/1021864684.db2.gz BSZJMPCRSFOJCI-GDBMZVCRSA-N -1 3 379.501 3.597 20 0 GHADHM CN(Cc1cncc(Br)c1)Cc1cccc([O-])c1Br ZINC001140549995 1021951820 /nfs/dbraw/zinc/95/18/20/1021951820.db2.gz OYKLALOSYJDACZ-UHFFFAOYSA-N -1 3 386.087 3.944 20 0 GHADHM COc1ccc(O[C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)nc1 ZINC001140555494 1021959026 /nfs/dbraw/zinc/95/90/26/1021959026.db2.gz LCLKIEJCKABJGI-OAHLLOKOSA-N -1 3 393.281 3.602 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2csc3ccccc23)ccc1F ZINC000725995527 1022399802 /nfs/dbraw/zinc/39/98/02/1022399802.db2.gz GQAQOKXHUKOAJJ-UHFFFAOYSA-N -1 3 379.434 3.769 20 0 GHADHM CC(C)Oc1ccc(COc2n[n-]c(-c3ccncc3)n2)cc1Br ZINC001228699553 1033052630 /nfs/dbraw/zinc/05/26/30/1033052630.db2.gz HBDSYBZGRJRNQN-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001228716608 1033060472 /nfs/dbraw/zinc/06/04/72/1033060472.db2.gz SGBVYDHQYGBMCY-AWEZNQCLSA-N -1 3 398.406 3.956 20 0 GHADHM Cc1ncc(CO)c(CN2CCC(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1[O-] ZINC001140872292 1022757657 /nfs/dbraw/zinc/75/76/57/1022757657.db2.gz YABUNJZGOFQJNQ-UHFFFAOYSA-N -1 3 396.531 3.980 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000836319176 1022866451 /nfs/dbraw/zinc/86/64/51/1022866451.db2.gz RILWXVDUEIYITH-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000836319176 1022866469 /nfs/dbraw/zinc/86/64/69/1022866469.db2.gz RILWXVDUEIYITH-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000836342674 1022900097 /nfs/dbraw/zinc/90/00/97/1022900097.db2.gz YLJNZDDYSJERIR-UHFFFAOYSA-N -1 3 383.876 3.725 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000836342674 1022900101 /nfs/dbraw/zinc/90/01/01/1022900101.db2.gz YLJNZDDYSJERIR-UHFFFAOYSA-N -1 3 383.876 3.725 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000836433128 1022966646 /nfs/dbraw/zinc/96/66/46/1022966646.db2.gz JAFUAUIIWAJKSS-UHFFFAOYSA-N -1 3 379.482 3.989 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000836433128 1022966652 /nfs/dbraw/zinc/96/66/52/1022966652.db2.gz JAFUAUIIWAJKSS-UHFFFAOYSA-N -1 3 379.482 3.989 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cccc(Cl)c1Br ZINC000755071756 1023060544 /nfs/dbraw/zinc/06/05/44/1023060544.db2.gz WYHVLMJLXZWVTD-ZCFIWIBFSA-N -1 3 393.517 3.575 20 0 GHADHM CC[C@@H]1N(Cc2cc(F)c([O-])c(F)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140993051 1023115796 /nfs/dbraw/zinc/11/57/96/1023115796.db2.gz FCOGEYFWIQAAJN-RXVVDRJESA-N -1 3 378.463 3.816 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000755974310 1023459848 /nfs/dbraw/zinc/45/98/48/1023459848.db2.gz OHVYRRJABNBQKY-HNNXBMFYSA-N -1 3 389.320 3.656 20 0 GHADHM COc1nccc2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)ccc21 ZINC001141161874 1023987074 /nfs/dbraw/zinc/98/70/74/1023987074.db2.gz RIDLVJNJIJIGFS-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc([O-])c(F)c3F)cc2)C[C@H](C)O1 ZINC000837087178 1024006441 /nfs/dbraw/zinc/00/64/41/1024006441.db2.gz IARYMDGDWWSCTO-STQMWFEESA-N -1 3 376.403 3.532 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000830598753 1024010501 /nfs/dbraw/zinc/01/05/01/1024010501.db2.gz NDEDQTKZWLJGBK-QLJPJBMISA-N -1 3 387.785 3.818 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc([O-])cc(Br)c1 ZINC001156714914 1033201899 /nfs/dbraw/zinc/20/18/99/1033201899.db2.gz KHJBGSQUJWSERF-ZWKOTPCHSA-N -1 3 398.260 3.626 20 0 GHADHM COc1ccc(NC(=O)c2c(C)cccc2[O-])c(I)c1 ZINC001138210409 1024369380 /nfs/dbraw/zinc/36/93/80/1024369380.db2.gz JOGNKCWLCDNYFU-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM O=C([N-]CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1)C(F)(F)F ZINC000831153584 1024387669 /nfs/dbraw/zinc/38/76/69/1024387669.db2.gz MACIPFIZWPGPBM-QZTJIDSGSA-N -1 3 396.453 3.878 20 0 GHADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837728228 1024668006 /nfs/dbraw/zinc/66/80/06/1024668006.db2.gz BEYHTEBVXNMLGG-UHFFFAOYSA-N -1 3 380.400 3.603 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cc([O-])ccc3Cl)C[C@H]2C1 ZINC000838177741 1024974767 /nfs/dbraw/zinc/97/47/67/1024974767.db2.gz ZBLQYUCIKWUEBD-IHRRRGAJSA-N -1 3 394.899 3.811 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC001141435699 1025045748 /nfs/dbraw/zinc/04/57/48/1025045748.db2.gz USPBJDGXCBBSAC-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000838558438 1025208117 /nfs/dbraw/zinc/20/81/17/1025208117.db2.gz CYPNNVWVJXASAB-PWSUYJOCSA-N -1 3 387.793 3.612 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000832122569 1025235783 /nfs/dbraw/zinc/23/57/83/1025235783.db2.gz QLLRPBMYIAOEDI-UHFFFAOYSA-N -1 3 384.738 3.633 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000832122569 1025235795 /nfs/dbraw/zinc/23/57/95/1025235795.db2.gz QLLRPBMYIAOEDI-UHFFFAOYSA-N -1 3 384.738 3.633 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000832141205 1025254041 /nfs/dbraw/zinc/25/40/41/1025254041.db2.gz DOQAHAAVTVLFOP-CYBMUJFWSA-N -1 3 384.712 3.795 20 0 GHADHM [O-]c1cc(O)cc(O[C@H]2CCCN(Cc3ccccc3)C2)c1Br ZINC001229098640 1033278902 /nfs/dbraw/zinc/27/89/02/1033278902.db2.gz GLQMAFJJBMAKJF-HNNXBMFYSA-N -1 3 378.266 3.904 20 0 GHADHM [O-]c1cccc(CNc2ccc(N3CCC(O)CC3)cc2)c1Br ZINC000838867272 1025405717 /nfs/dbraw/zinc/40/57/17/1025405717.db2.gz ZNUJUQLINVOLOA-UHFFFAOYSA-N -1 3 377.282 3.728 20 0 GHADHM C[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838895470 1025423846 /nfs/dbraw/zinc/42/38/46/1025423846.db2.gz QPCNYERVOISPKP-YJBOKZPZSA-N -1 3 398.507 3.584 20 0 GHADHM COC(=O)c1ccc2c(c1)[C@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)CCC2 ZINC001161931139 1025501387 /nfs/dbraw/zinc/50/13/87/1025501387.db2.gz DBWCGMSHAMNASI-GFCCVEGCSA-N -1 3 399.850 3.922 20 0 GHADHM FC(F)(N[C@@H](c1ccccc1)c1cccnn1)c1cc(Cl)nc(=S)[n-]1 ZINC001163109320 1026047870 /nfs/dbraw/zinc/04/78/70/1026047870.db2.gz WVQJCUREGZGYJT-AWEZNQCLSA-N -1 3 379.823 3.637 20 0 GHADHM COc1ccc(C2CCN(Cc3cccc(OC)c3OCC(=O)[O-])CC2)cc1 ZINC001139268272 1026115431 /nfs/dbraw/zinc/11/54/31/1026115431.db2.gz RYDVAOWZSRLZQC-UHFFFAOYSA-N -1 3 385.460 3.547 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc(-c3c[nH]cn3)cc2)s1 ZINC001163307799 1026134560 /nfs/dbraw/zinc/13/45/60/1026134560.db2.gz OJWJCYLIXXCYBW-UHFFFAOYSA-N -1 3 399.476 3.810 20 0 GHADHM O=C([N-]Cc1nc2ccc(Br)cc2o1)C(F)(F)c1ccccc1 ZINC001163806844 1026319913 /nfs/dbraw/zinc/31/99/13/1026319913.db2.gz ULNQCIVZGNUTHE-UHFFFAOYSA-N -1 3 381.176 3.999 20 0 GHADHM O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164322039 1026484419 /nfs/dbraw/zinc/48/44/19/1026484419.db2.gz MHMPPAFQAMLAOZ-CYBMUJFWSA-N -1 3 385.370 3.816 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1 ZINC001164370937 1026497239 /nfs/dbraw/zinc/49/72/39/1026497239.db2.gz PTSFNKZBMMZHKC-CQSZACIVSA-N -1 3 378.354 3.571 20 0 GHADHM COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1 ZINC001164406955 1026507742 /nfs/dbraw/zinc/50/77/42/1026507742.db2.gz ZUMHEHZWMJNROT-ZWKOTPCHSA-N -1 3 383.444 3.701 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1CCCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165187302 1026653997 /nfs/dbraw/zinc/65/39/97/1026653997.db2.gz VXQNTPBTEIIYBZ-SECBINFHSA-N -1 3 379.860 3.664 20 0 GHADHM C[C@H]1Cc2cc(Br)ccc2CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139857283 1026670957 /nfs/dbraw/zinc/67/09/57/1026670957.db2.gz HFTUKZHPVYASLO-LBPRGKRZSA-N -1 3 384.281 3.576 20 0 GHADHM O=C(OCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C1CCC1 ZINC001165470833 1026735786 /nfs/dbraw/zinc/73/57/86/1026735786.db2.gz DPWXQRPLKGFQSR-UHFFFAOYSA-N -1 3 390.852 3.567 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)c1 ZINC001165689556 1026796392 /nfs/dbraw/zinc/79/63/92/1026796392.db2.gz VCZKFTPHGSOTIB-KRWDZBQOSA-N -1 3 384.407 3.642 20 0 GHADHM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC001165908081 1026865782 /nfs/dbraw/zinc/86/57/82/1026865782.db2.gz UDRNJQCGXVVKJW-QGZVFWFLSA-N -1 3 385.464 3.624 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2NC(C)C)c([O-])c1 ZINC001166241557 1026950848 /nfs/dbraw/zinc/95/08/48/1026950848.db2.gz QUJWLKICPFJLSP-UHFFFAOYSA-N -1 3 389.883 3.933 20 0 GHADHM O=c1cc(CS(=O)(=O)c2ccc(F)cc2Cl)nc(-c2ccccc2)[n-]1 ZINC001166754163 1027075234 /nfs/dbraw/zinc/07/52/34/1027075234.db2.gz UFVXGVMJXGAPGJ-UHFFFAOYSA-N -1 3 378.812 3.616 20 0 GHADHM O=C(N[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc([O-])cc(Br)c1 ZINC001166925022 1027156778 /nfs/dbraw/zinc/15/67/78/1027156778.db2.gz CJXXNFUZTUJOTL-HNNXBMFYSA-N -1 3 390.212 3.536 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1cccc(OC(F)(F)F)c1F ZINC001209813903 1027210401 /nfs/dbraw/zinc/21/04/01/1027210401.db2.gz ZCTOLKAOLBQYKS-OLZOCXBDSA-N -1 3 389.370 3.634 20 0 GHADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001210131749 1027351490 /nfs/dbraw/zinc/35/14/90/1027351490.db2.gz QNHHJMLFYHJUQJ-ZJUUUORDSA-N -1 3 382.295 3.700 20 0 GHADHM CC1CC([N-]S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC001210574750 1027562118 /nfs/dbraw/zinc/56/21/18/1027562118.db2.gz FSANXAYQUBALCU-UHFFFAOYSA-N -1 3 376.425 3.906 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCC1 ZINC001210696195 1027608983 /nfs/dbraw/zinc/60/89/83/1027608983.db2.gz LQLKQEKGUIASNK-UHFFFAOYSA-N -1 3 388.942 3.825 20 0 GHADHM CCOC(=O)c1cc(C(=O)[N-]c2cccnc2Oc2cccc(C)c2C)on1 ZINC001141959292 1027747877 /nfs/dbraw/zinc/74/78/77/1027747877.db2.gz RTHDMMVTVMXAII-UHFFFAOYSA-N -1 3 381.388 3.908 20 0 GHADHM C[C@@H]1Cc2cccc(S(=O)(=O)[N-][C@H](CCc3ccccc3)C(F)(F)F)c2O1 ZINC001211306282 1027902391 /nfs/dbraw/zinc/90/23/91/1027902391.db2.gz QWSJPXUFGONVEB-CXAGYDPISA-N -1 3 399.434 3.852 20 0 GHADHM CCCCCc1nnc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC001142059369 1027975621 /nfs/dbraw/zinc/97/56/21/1027975621.db2.gz LCCKSRIWGHTXTO-UHFFFAOYSA-N -1 3 378.404 3.643 20 0 GHADHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1ccccc1 ZINC001213228924 1028057392 /nfs/dbraw/zinc/05/73/92/1028057392.db2.gz QIJNOMPNTPOBOP-LSDHHAIUSA-N -1 3 375.462 3.722 20 0 GHADHM Cc1c(Br)ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c1F ZINC001213259263 1028073096 /nfs/dbraw/zinc/07/30/96/1028073096.db2.gz RCVYJKDWQBEGEG-UHFFFAOYSA-N -1 3 391.200 3.987 20 0 GHADHM O=c1cc(-c2nc(-c3cc(F)cc(Br)c3F)no2)nc(C2CC2)[n-]1 ZINC001213258673 1028074188 /nfs/dbraw/zinc/07/41/88/1028074188.db2.gz AZCBZTPIFWIZEJ-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM COc1ccc(C(F)(F)F)cc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001213259068 1028074322 /nfs/dbraw/zinc/07/43/22/1028074322.db2.gz NGJLJYHDCMCLQE-UHFFFAOYSA-N -1 3 378.310 3.804 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)o1 ZINC001213261738 1028074928 /nfs/dbraw/zinc/07/49/28/1028074928.db2.gz IEPNWMRWUSABKS-UHFFFAOYSA-N -1 3 378.675 3.791 20 0 GHADHM CCOC(=O)c1cnn(-c2ccccc2F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213374832 1028147018 /nfs/dbraw/zinc/14/70/18/1028147018.db2.gz BJCPEJBDEDILHV-UHFFFAOYSA-N -1 3 377.322 3.916 20 0 GHADHM C[C@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)Cc2nnc(C(F)(F)F)n21 ZINC001142118565 1028170340 /nfs/dbraw/zinc/17/03/40/1028170340.db2.gz QSOZPBFVYBMDHG-ZETCQYMHSA-N -1 3 381.185 3.886 20 0 GHADHM FC(F)(F)c1ncc(-c2nc(-c3ccn4c(Br)cnc4c3)no2)[n-]1 ZINC001213591620 1028283360 /nfs/dbraw/zinc/28/33/60/1028283360.db2.gz ISWNJAVLTUTWJD-UHFFFAOYSA-N -1 3 399.130 3.556 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1F)c1ccc(Cl)c(Cl)c1 ZINC001213677478 1028324881 /nfs/dbraw/zinc/32/48/81/1028324881.db2.gz NQLQIXKEQMARKE-HIFRSBDPSA-N -1 3 376.236 3.744 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ncccc2c1)c1ccc(Br)s1 ZINC001213695781 1028335723 /nfs/dbraw/zinc/33/57/23/1028335723.db2.gz OAZJLWDLWNIMJB-UHFFFAOYSA-N -1 3 397.319 3.580 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)no2)n1 ZINC001213699568 1028340136 /nfs/dbraw/zinc/34/01/36/1028340136.db2.gz QJMCLPFAGGSRKM-UHFFFAOYSA-N -1 3 393.424 3.645 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC2(CCC2)O1)c1c2ncsc2ccc1Cl ZINC001213824291 1028391813 /nfs/dbraw/zinc/39/18/13/1028391813.db2.gz NVEOMGRFFHXNPB-LLVKDONJSA-N -1 3 386.926 3.720 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cccc(Br)c1F ZINC001213939595 1028462091 /nfs/dbraw/zinc/46/20/91/1028462091.db2.gz OLIRTBORCNNUKC-CYBMUJFWSA-N -1 3 388.233 3.693 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3F)no2)[n-]1 ZINC001213974841 1028483520 /nfs/dbraw/zinc/48/35/20/1028483520.db2.gz DAYFFYQPQXKXED-UHFFFAOYSA-N -1 3 385.273 3.946 20 0 GHADHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142258508 1028508521 /nfs/dbraw/zinc/50/85/21/1028508521.db2.gz HSIYOUFKKJKOOG-SZNDQCEHSA-N -1 3 398.409 3.704 20 0 GHADHM O=S(=O)([N-]CCCc1ccsc1)c1cc(F)ccc1Br ZINC001214078261 1028538307 /nfs/dbraw/zinc/53/83/07/1028538307.db2.gz QFNVHXZVYKIVMJ-UHFFFAOYSA-N -1 3 378.288 3.561 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC001142279576 1028561810 /nfs/dbraw/zinc/56/18/10/1028561810.db2.gz BTWLGLCWOJBORB-ZFWWWQNUSA-N -1 3 395.459 3.549 20 0 GHADHM COc1c(C)ccc(F)c1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001214536826 1028781331 /nfs/dbraw/zinc/78/13/31/1028781331.db2.gz SIWLQSGSXWBGSS-UHFFFAOYSA-N -1 3 379.240 3.833 20 0 GHADHM COc1ccc(Cl)cc1CN[C@H](CSCCc1ccccc1)C(=O)[O-] ZINC000841800228 1028945771 /nfs/dbraw/zinc/94/57/71/1028945771.db2.gz JMPYEDURADESNX-QGZVFWFLSA-N -1 3 379.909 3.867 20 0 GHADHM COC([O-])=NC(=S)N(c1cc(F)c(OC)c(Cl)c1)c1ccccc1N ZINC001214976867 1028983251 /nfs/dbraw/zinc/98/32/51/1028983251.db2.gz NBOFUDKXKTVXKL-UHFFFAOYSA-N -1 3 383.832 3.849 20 0 GHADHM COC(=O)N=C([S-])N(c1cc(F)c(OC)c(Cl)c1)c1ccccc1N ZINC001214976867 1028983257 /nfs/dbraw/zinc/98/32/57/1028983257.db2.gz NBOFUDKXKTVXKL-UHFFFAOYSA-N -1 3 383.832 3.849 20 0 GHADHM COc1cc(Br)c(-c2noc(-c3ccccc3[O-])n2)cc1OC ZINC001215141864 1029056027 /nfs/dbraw/zinc/05/60/27/1029056027.db2.gz DWIGWWASGBIPPK-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c2ccccc12 ZINC001215448211 1029214046 /nfs/dbraw/zinc/21/40/46/1029214046.db2.gz YBGYQOYSAONBQG-UHFFFAOYSA-N -1 3 395.440 3.937 20 0 GHADHM COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc2sccc2c([O-])c1 ZINC001142671461 1029237346 /nfs/dbraw/zinc/23/73/46/1029237346.db2.gz HVAWPDXFCLINHV-RUZDIDTESA-N -1 3 376.455 3.881 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(F)c(OC(C)C)c1)OCC ZINC001215496226 1029239802 /nfs/dbraw/zinc/23/98/02/1029239802.db2.gz SXWMQMGNNMKYRM-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001216515407 1029668754 /nfs/dbraw/zinc/66/87/54/1029668754.db2.gz JXDYERAMGWJDRD-UHFFFAOYSA-N -1 3 385.464 3.818 20 0 GHADHM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2F)cc1 ZINC001216658901 1029719982 /nfs/dbraw/zinc/71/99/82/1029719982.db2.gz QHUAHXBDZLYUTA-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM COc1ccc(-c2nc(-c3ncc(Br)cc3C)no2)c([O-])c1OC ZINC001216765333 1029924280 /nfs/dbraw/zinc/92/42/80/1029924280.db2.gz HEFOAUVAKONICT-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COc1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc1C(F)(F)F ZINC001216958343 1030031295 /nfs/dbraw/zinc/03/12/95/1030031295.db2.gz GCOKWSYRLKNAOL-UHFFFAOYSA-N -1 3 396.321 3.508 20 0 GHADHM Cc1nc2ccccc2c(C(=O)NC2CCN(c3ncccc3Cl)CC2)c1[O-] ZINC001149206195 1030091215 /nfs/dbraw/zinc/09/12/15/1030091215.db2.gz NCGWKJJWEBVXRS-UHFFFAOYSA-N -1 3 396.878 3.696 20 0 GHADHM CC(C)(C)c1ccnc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1 ZINC001217017887 1030093404 /nfs/dbraw/zinc/09/34/04/1030093404.db2.gz GVXKLUGYQHOVST-UHFFFAOYSA-N -1 3 390.440 3.607 20 0 GHADHM Cc1cc(Cl)cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1 ZINC001217017580 1030094342 /nfs/dbraw/zinc/09/43/42/1030094342.db2.gz CHEHNLXWEWUCCX-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM [O-]c1cc(I)cc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC001217065255 1030138552 /nfs/dbraw/zinc/13/85/52/1030138552.db2.gz AHMHYPVREQNLKS-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001217297713 1030290862 /nfs/dbraw/zinc/29/08/62/1030290862.db2.gz MERDTYFEDPJMRW-UHFFFAOYSA-N -1 3 391.383 3.833 20 0 GHADHM O=C(Nc1cncc([O-])c1)c1ccc2c(c1)C[C@@H](COCc1ccc(F)cc1)O2 ZINC001149771519 1030297752 /nfs/dbraw/zinc/29/77/52/1030297752.db2.gz MOVSGTULELRJKY-FQEVSTJZSA-N -1 3 394.402 3.699 20 0 GHADHM Cc1ccc(C)n1-c1sccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001149789149 1030305456 /nfs/dbraw/zinc/30/54/56/1030305456.db2.gz IBTJZVDIDRVSJY-UHFFFAOYSA-N -1 3 382.489 3.849 20 0 GHADHM O=C(NCC1CCC2(CC2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001149948064 1030359519 /nfs/dbraw/zinc/35/95/19/1030359519.db2.gz CRWBTCBPTQDAGV-UHFFFAOYSA-N -1 3 389.293 3.991 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001150206621 1030449848 /nfs/dbraw/zinc/44/98/48/1030449848.db2.gz BKTWGGMXZRZUMK-LUAWRHEFSA-N -1 3 384.237 3.671 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001150206621 1030449859 /nfs/dbraw/zinc/44/98/59/1030449859.db2.gz BKTWGGMXZRZUMK-LUAWRHEFSA-N -1 3 384.237 3.671 20 0 GHADHM CCCc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC001150208109 1030451396 /nfs/dbraw/zinc/45/13/96/1030451396.db2.gz WLJQYTAZMUUBQB-UHFFFAOYSA-N -1 3 386.253 3.834 20 0 GHADHM CCCc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC001150208109 1030451405 /nfs/dbraw/zinc/45/14/05/1030451405.db2.gz WLJQYTAZMUUBQB-UHFFFAOYSA-N -1 3 386.253 3.834 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(Cl)c(OC)c4)no3)c21 ZINC001217512939 1030456285 /nfs/dbraw/zinc/45/62/85/1030456285.db2.gz UHVXXCZSVSENRG-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(cc1O)CCCC2 ZINC001150394762 1030515244 /nfs/dbraw/zinc/51/52/44/1030515244.db2.gz CKUBUBWYFDATBT-UHFFFAOYSA-N -1 3 376.250 3.669 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2c(F)cc(Br)cc2C1 ZINC001150468770 1030535628 /nfs/dbraw/zinc/53/56/28/1030535628.db2.gz QGSISDVRBCUDLH-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(OC)cc2Cl)no1 ZINC001217636400 1030560793 /nfs/dbraw/zinc/56/07/93/1030560793.db2.gz BPWHNNMJMBTPKV-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC001151219357 1030812651 /nfs/dbraw/zinc/81/26/51/1030812651.db2.gz SCIBJJZDYOGQKT-UHFFFAOYSA-N -1 3 380.341 3.933 20 0 GHADHM COc1c([O-])cc2c(c1OC1CCC(O)CC1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001218369593 1030912054 /nfs/dbraw/zinc/91/20/54/1030912054.db2.gz GMIBQHWHGDAVJC-JMLCCBQJSA-N -1 3 384.428 3.790 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3c2ncnc3Cl)c([O-])c1 ZINC001152945446 1031404516 /nfs/dbraw/zinc/40/45/16/1031404516.db2.gz IEQLASDRWIWFIC-UHFFFAOYSA-N -1 3 388.811 3.525 20 0 GHADHM COc1cc2cc(C(=O)Nc3cc([O-])cc(Cl)c3)[nH]c2c(OC)c1OC ZINC001153386622 1031568167 /nfs/dbraw/zinc/56/81/67/1031568167.db2.gz KRDBOCSETGLHBI-UHFFFAOYSA-N -1 3 376.796 3.805 20 0 GHADHM CCCc1nc2cc(C(=O)Nc3ncc([O-])cc3Br)cc(C)c2[nH]1 ZINC001153448678 1031596598 /nfs/dbraw/zinc/59/65/98/1031596598.db2.gz HHLVQVIWDMMOFV-UHFFFAOYSA-N -1 3 389.253 3.939 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cc(Br)ccc2[O-])CC1(C)C ZINC001153473546 1031607341 /nfs/dbraw/zinc/60/73/41/1031607341.db2.gz NZRAQPGJQYTKBA-QGZVFWFLSA-N -1 3 384.270 3.851 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)[C@@H](F)C1 ZINC001225853898 1031652942 /nfs/dbraw/zinc/65/29/42/1031652942.db2.gz SPGUMGANTFZMTQ-IUCAKERBSA-N -1 3 397.394 3.510 20 0 GHADHM CN(CCc1cccs1)C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153876967 1031787977 /nfs/dbraw/zinc/78/79/77/1031787977.db2.gz SKSGBLFPBHYPIF-UHFFFAOYSA-N -1 3 391.290 3.667 20 0 GHADHM Cc1cc(C)cc(OC[C@H](C)NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c1 ZINC001153906394 1031804718 /nfs/dbraw/zinc/80/47/18/1031804718.db2.gz VICJICJQFQNAGD-AWEZNQCLSA-N -1 3 384.863 3.996 20 0 GHADHM COc1cccc(NC2CCN(C(=O)c3c(O)cc4ccccc4c3[O-])CC2)c1 ZINC001154026339 1031882429 /nfs/dbraw/zinc/88/24/29/1031882429.db2.gz LHQBGIBFWSLRLW-UHFFFAOYSA-N -1 3 392.455 3.976 20 0 GHADHM O=C(NCc1cc(-c2ccccc2F)no1)c1c(O)cc2ccccc2c1[O-] ZINC001154030371 1031888354 /nfs/dbraw/zinc/88/83/54/1031888354.db2.gz PUFIORKULOHIHA-UHFFFAOYSA-N -1 3 378.359 3.975 20 0 GHADHM CC(C)[C@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccc(C(C)(C)C)cc1 ZINC001220383477 1031919908 /nfs/dbraw/zinc/91/99/08/1031919908.db2.gz PWJOURANTCGIBW-INIZCTEOSA-N -1 3 398.511 3.513 20 0 GHADHM CCCc1ncc(C(=O)Nc2ccc(I)cc2[O-])s1 ZINC001154104569 1031928428 /nfs/dbraw/zinc/92/84/28/1031928428.db2.gz SKPQRRADBYXHFT-UHFFFAOYSA-N -1 3 388.230 3.658 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC001154146908 1031951145 /nfs/dbraw/zinc/95/11/45/1031951145.db2.gz KQHQNMAORJCPLE-UHFFFAOYSA-N -1 3 393.321 3.543 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(OCC(F)(F)F)cc3)n[n-]c21 ZINC001154146908 1031951155 /nfs/dbraw/zinc/95/11/55/1031951155.db2.gz KQHQNMAORJCPLE-UHFFFAOYSA-N -1 3 393.321 3.543 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1cccc(F)c1N1CCCCC1 ZINC001154146793 1031951224 /nfs/dbraw/zinc/95/12/24/1031951224.db2.gz IORDKGRAPLGBCR-UHFFFAOYSA-N -1 3 396.422 3.731 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc(F)c3N3CCCCC3)n[n-]c21 ZINC001154146793 1031951234 /nfs/dbraw/zinc/95/12/34/1031951234.db2.gz IORDKGRAPLGBCR-UHFFFAOYSA-N -1 3 396.422 3.731 20 0 GHADHM CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC001154177621 1031969918 /nfs/dbraw/zinc/96/99/18/1031969918.db2.gz IZWGHJVBHGWWJH-NRFANRHFSA-N -1 3 387.863 3.826 20 0 GHADHM CCc1ccc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001461827947 1069775818 /nfs/dbraw/zinc/77/58/18/1069775818.db2.gz QFHDDFKIPNHRNY-UHFFFAOYSA-N -1 3 389.864 3.711 20 0 GHADHM CCc1ccc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001461827947 1069775829 /nfs/dbraw/zinc/77/58/29/1069775829.db2.gz QFHDDFKIPNHRNY-UHFFFAOYSA-N -1 3 389.864 3.711 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC34CN(C(=O)OC(C)(C)C)C4)cc12 ZINC001226533115 1031998982 /nfs/dbraw/zinc/99/89/82/1031998982.db2.gz ZGWQNSMKAQGLPX-QGZVFWFLSA-N -1 3 387.432 3.585 20 0 GHADHM CCOC(=O)[C@@H]1C[C@@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])c2ccccc2O1 ZINC001226537275 1032001093 /nfs/dbraw/zinc/00/10/93/1032001093.db2.gz GWHNKQJYROEHBU-QUCCMNQESA-N -1 3 396.395 3.641 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc12 ZINC001226536630 1032001430 /nfs/dbraw/zinc/00/14/30/1032001430.db2.gz XTAMSNNXLMOFEM-UONOGXRCSA-N -1 3 389.448 3.974 20 0 GHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC001154268269 1032013161 /nfs/dbraw/zinc/01/31/61/1032013161.db2.gz YGRLKMWVTRAYMY-UHFFFAOYSA-N -1 3 391.814 3.997 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3c([O-])ccc4ccc(=O)oc43)C[C@@H]21 ZINC001226596048 1032031246 /nfs/dbraw/zinc/03/12/46/1032031246.db2.gz IIJZSDJUCXKOFF-KFWWJZLASA-N -1 3 387.432 3.665 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1)c1ccccc1C(F)(F)F ZINC001154318843 1032040171 /nfs/dbraw/zinc/04/01/71/1032040171.db2.gz QBRZITBUQWQYTF-VIFPVBQESA-N -1 3 377.322 3.551 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1)c1ccccc1C(F)(F)F ZINC001154318843 1032040186 /nfs/dbraw/zinc/04/01/86/1032040186.db2.gz QBRZITBUQWQYTF-VIFPVBQESA-N -1 3 377.322 3.551 20 0 GHADHM COc1cc2ccc(=O)oc2c(O[C@H]2CCCN([C@H](C)c3ccccn3)C2)c1[O-] ZINC001229215861 1033348291 /nfs/dbraw/zinc/34/82/91/1033348291.db2.gz MLKYUEDZRMWGSR-ZBFHGGJFSA-N -1 3 396.443 3.507 20 0 GHADHM CCOC(=O)COc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC001205311738 1033353310 /nfs/dbraw/zinc/35/33/10/1033353310.db2.gz HUXIHDUOJCYUNW-UHFFFAOYSA-N -1 3 380.238 3.709 20 0 GHADHM COc1ccc(COc2ccc(-c3nnn[n-]3)cc2OC)cc1OC1CCCC1 ZINC001229337859 1033423199 /nfs/dbraw/zinc/42/31/99/1033423199.db2.gz MRGANMHKZDTKGE-UHFFFAOYSA-N -1 3 396.447 3.784 20 0 GHADHM COc1ccc(COc2ccc(-c3nn[n-]n3)cc2OC)cc1OC1CCCC1 ZINC001229337859 1033423205 /nfs/dbraw/zinc/42/32/05/1033423205.db2.gz MRGANMHKZDTKGE-UHFFFAOYSA-N -1 3 396.447 3.784 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1c(F)cc(OC(C)C)cc1F ZINC001229341946 1033424528 /nfs/dbraw/zinc/42/45/28/1033424528.db2.gz OFUVLHCNSNWOEV-UHFFFAOYSA-N -1 3 376.363 3.520 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1c(F)cc(OC(C)C)cc1F ZINC001229341946 1033424538 /nfs/dbraw/zinc/42/45/38/1033424538.db2.gz OFUVLHCNSNWOEV-UHFFFAOYSA-N -1 3 376.363 3.520 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCN(c3ccccc3Cl)CC2)c1 ZINC001157212106 1033473917 /nfs/dbraw/zinc/47/39/17/1033473917.db2.gz GGQRVFMYYBQLLU-UHFFFAOYSA-N -1 3 399.878 3.523 20 0 GHADHM C[C@H](NC(=O)C1=C(c2ccccc2)CCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001157222208 1033479185 /nfs/dbraw/zinc/47/91/85/1033479185.db2.gz MASUVMLVBYQIFB-HOTGVXAUSA-N -1 3 393.487 3.894 20 0 GHADHM COC(=O)c1cnc(=O)[n-]c1O[C@@H]1CCN(c2ccccc2)c2ccccc21 ZINC001229871134 1033763141 /nfs/dbraw/zinc/76/31/41/1033763141.db2.gz QQOGQRBWFCXDDK-GOSISDBHSA-N -1 3 377.400 3.631 20 0 GHADHM [O-]c1cc(Br)cnc1CN(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001206429902 1033839926 /nfs/dbraw/zinc/83/99/26/1033839926.db2.gz MFQBJQSRFOEFSC-SFHVURJKSA-N -1 3 391.309 3.713 20 0 GHADHM O=c1nc(OC2CCC(F)(F)CC2)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230188828 1033936144 /nfs/dbraw/zinc/93/61/44/1033936144.db2.gz NSPFIHVVMDWCQW-UHFFFAOYSA-N -1 3 375.419 3.697 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c([O-])c(OC)c1 ZINC001158240564 1033982862 /nfs/dbraw/zinc/98/28/62/1033982862.db2.gz ZDTQTQREKFQWMP-UHFFFAOYSA-N -1 3 399.443 3.647 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](/C=C/c1ccccc1)c1ccccc1 ZINC001230501811 1034093590 /nfs/dbraw/zinc/09/35/90/1034093590.db2.gz KLSUSUNQHNZAIQ-HYSAVQALSA-N -1 3 376.412 3.731 20 0 GHADHM CSCC(C)(C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001158482997 1034102029 /nfs/dbraw/zinc/10/20/29/1034102029.db2.gz BQYVELPXYUYTHL-SFHVURJKSA-N -1 3 386.517 3.511 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001207429633 1034366107 /nfs/dbraw/zinc/36/61/07/1034366107.db2.gz FWAKAIXOPLPJLK-VIFPVBQESA-N -1 3 399.373 3.662 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C(F)(F)c1ccc(Br)cc1 ZINC001159063409 1034408038 /nfs/dbraw/zinc/40/80/38/1034408038.db2.gz MMEPIUHTZXJNDD-UHFFFAOYSA-N -1 3 382.164 3.762 20 0 GHADHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063787 1034408116 /nfs/dbraw/zinc/40/81/16/1034408116.db2.gz VWTVLZYYDYXECH-UHFFFAOYSA-N -1 3 385.221 3.694 20 0 GHADHM Clc1ccc(CN2CC[C@H](Oc3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC001231122561 1034412017 /nfs/dbraw/zinc/41/20/17/1034412017.db2.gz UHJXNMPDPBGXDP-HNNXBMFYSA-N -1 3 390.274 3.827 20 0 GHADHM Oc1nc2nc[nH]c2c([N-]C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)n1 ZINC001159205176 1034480850 /nfs/dbraw/zinc/48/08/50/1034480850.db2.gz VDPDFNWSCUOPPM-UHFFFAOYSA-N -1 3 378.726 3.528 20 0 GHADHM Cc1nn(C)c2sc(C(=O)Nc3n[n-]c(SCc4ccc(C)cc4)n3)cc12 ZINC001159364388 1034565785 /nfs/dbraw/zinc/56/57/85/1034565785.db2.gz YWMNNSZQEOEXNE-UHFFFAOYSA-N -1 3 398.517 3.914 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C[C@@H](F)C1 ZINC001231522373 1034673187 /nfs/dbraw/zinc/67/31/87/1034673187.db2.gz GDSVEMSUNXHLHV-CYBMUJFWSA-N -1 3 392.393 3.802 20 0 GHADHM [O-]c1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1C(F)(F)F ZINC001231522885 1034673819 /nfs/dbraw/zinc/67/38/19/1034673819.db2.gz LDBWXAWJJDEQRU-KVSKMBFKSA-N -1 3 394.393 3.617 20 0 GHADHM CC(C)COC[C@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2ncn(C)c21 ZINC001231523082 1034675156 /nfs/dbraw/zinc/67/51/56/1034675156.db2.gz OFCQUFPKXFBCMC-OAHLLOKOSA-N -1 3 397.441 3.917 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523650 1034675277 /nfs/dbraw/zinc/67/52/77/1034675277.db2.gz UBDBPGVPXJAUQV-UKRRQHHQSA-N -1 3 386.414 3.852 20 0 GHADHM O=S(=O)([N-]Cc1csc2ccccc12)c1ccc(Cl)c2nonc21 ZINC001208366564 1034871716 /nfs/dbraw/zinc/87/17/16/1034871716.db2.gz WSQXXYMXPLPUOV-UHFFFAOYSA-N -1 3 379.850 3.569 20 0 GHADHM O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2Cc1ccc(Cl)c([O-])c1 ZINC001231738527 1034872542 /nfs/dbraw/zinc/87/25/42/1034872542.db2.gz QESYARWEFAEOFH-OAQYLSRUSA-N -1 3 385.895 3.598 20 0 GHADHM COC(=O)c1ccc(C(=O)N2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)[n-]1 ZINC001160167354 1034886985 /nfs/dbraw/zinc/88/69/85/1034886985.db2.gz DRRCQQMKIYYVMN-UHFFFAOYSA-N -1 3 399.447 3.741 20 0 GHADHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001208465007 1034905575 /nfs/dbraw/zinc/90/55/75/1034905575.db2.gz BXYPMCZURMGMEJ-UHFFFAOYSA-N -1 3 375.277 3.654 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001208476690 1034909560 /nfs/dbraw/zinc/90/95/60/1034909560.db2.gz GCKGBKNVPCFUHZ-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM CCc1[nH]nc(NC(=O)c2cccc(CC)c2[O-])c1-c1ccc2c(c1)OCO2 ZINC001160282140 1034927303 /nfs/dbraw/zinc/92/73/03/1034927303.db2.gz BTKVYHQQBQYUMY-UHFFFAOYSA-N -1 3 379.416 3.888 20 0 GHADHM CN(C)c1ccccc1CN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001160801658 1035069881 /nfs/dbraw/zinc/06/98/81/1035069881.db2.gz ODXKEPYKNOHQRG-UHFFFAOYSA-N -1 3 390.509 3.828 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001161356778 1035214703 /nfs/dbraw/zinc/21/47/03/1035214703.db2.gz CHGCKWWDKQRTBF-ICSRJNTNSA-N -1 3 380.488 3.615 20 0 GHADHM CSc1ccc([C@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])N(C)C)cc1 ZINC001161378594 1035219291 /nfs/dbraw/zinc/21/92/91/1035219291.db2.gz YRUFJYBYOCYBNW-INIZCTEOSA-N -1 3 382.888 3.939 20 0 GHADHM CCCn1c(C(=O)Nc2[n-]nc3cc(C)n(CC)c(=O)c32)cc2ccccc21 ZINC001161522057 1035249265 /nfs/dbraw/zinc/24/92/65/1035249265.db2.gz ZIOMVKWNDYWVQX-UHFFFAOYSA-N -1 3 377.448 3.670 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241271254 1035547160 /nfs/dbraw/zinc/54/71/60/1035547160.db2.gz OJDBFURTBDLLGW-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444505 1035582033 /nfs/dbraw/zinc/58/20/33/1035582033.db2.gz DWUXEVVXSGFVMN-UHFFFAOYSA-N -1 3 382.420 3.506 20 0 GHADHM COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444505 1035582040 /nfs/dbraw/zinc/58/20/40/1035582040.db2.gz DWUXEVVXSGFVMN-UHFFFAOYSA-N -1 3 382.420 3.506 20 0 GHADHM COC(=O)c1cc(-c2ccc([O-])c(C(F)(F)F)c2)c(NC(C)=O)cc1OC ZINC001242158404 1035835964 /nfs/dbraw/zinc/83/59/64/1035835964.db2.gz WRNDDVVZVDDFAT-UHFFFAOYSA-N -1 3 383.322 3.832 20 0 GHADHM CCOC(=O)c1cc(-c2ccccc2-c2nnn[n-]2)ccc1OC(F)(F)F ZINC001243257216 1036082985 /nfs/dbraw/zinc/08/29/85/1036082985.db2.gz CTFDEAAXLAWBFH-UHFFFAOYSA-N -1 3 378.310 3.609 20 0 GHADHM CCOC(=O)c1cc(-c2ccccc2-c2nn[n-]n2)ccc1OC(F)(F)F ZINC001243257216 1036083006 /nfs/dbraw/zinc/08/30/06/1036083006.db2.gz CTFDEAAXLAWBFH-UHFFFAOYSA-N -1 3 378.310 3.609 20 0 GHADHM CCOC(=O)c1nc2cc(C(F)(F)F)c(-c3cc(Cl)ccc3[O-])cn2n1 ZINC001245057257 1036751484 /nfs/dbraw/zinc/75/14/84/1036751484.db2.gz LFKBOCRRIMUXPI-UHFFFAOYSA-N -1 3 385.729 3.951 20 0 GHADHM COc1cc(Br)ccc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247563948 1038250397 /nfs/dbraw/zinc/25/03/97/1038250397.db2.gz BBSOSVXXEWMSRI-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccc([O-])c3Cl)C[C@H]12 ZINC001232787292 1038552868 /nfs/dbraw/zinc/55/28/68/1038552868.db2.gz KXHXGPCNWKGRRA-RBBKRZOGSA-N -1 3 384.907 3.810 20 0 GHADHM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc([O-])c(I)c1 ZINC001232868920 1038636481 /nfs/dbraw/zinc/63/64/81/1038636481.db2.gz XJNYMHOGBOYGIA-LBPRGKRZSA-N -1 3 385.167 3.566 20 0 GHADHM Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(Cc3ccc(F)c([O-])c3F)C[C@H]21 ZINC001232934949 1038715685 /nfs/dbraw/zinc/71/56/85/1038715685.db2.gz YZUICQMZQGXXCU-ZBFHGGJFSA-N -1 3 399.416 3.982 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232968483 1038741609 /nfs/dbraw/zinc/74/16/09/1038741609.db2.gz CHWZQSCPOBKYHA-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001233036405 1038790636 /nfs/dbraw/zinc/79/06/36/1038790636.db2.gz OJKVXCMWIUZTAR-UHFFFAOYSA-N -1 3 397.700 3.687 20 0 GHADHM Cc1cc(Br)ccc1N1CCN(Cc2cccc([O-])c2F)CC1 ZINC001233054459 1038814834 /nfs/dbraw/zinc/81/48/34/1038814834.db2.gz NFJYZJPLQJGWDK-UHFFFAOYSA-N -1 3 379.273 3.924 20 0 GHADHM [S-]c1ccc(CN2CCC(Oc3ncc(Br)cn3)CC2)cc1 ZINC001233261569 1039029749 /nfs/dbraw/zinc/02/97/49/1039029749.db2.gz UQDJDPIHVNCPJM-UHFFFAOYSA-N -1 3 380.311 3.571 20 0 GHADHM O=C(c1ccsc1)N1CCC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233393895 1039227200 /nfs/dbraw/zinc/22/72/00/1039227200.db2.gz QMQOXVOMMFFGEC-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM COc1ccc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(Cl)c1[O-] ZINC001233398218 1039233201 /nfs/dbraw/zinc/23/32/01/1039233201.db2.gz CNMAOAIUMVKOTA-OLZOCXBDSA-N -1 3 384.904 3.884 20 0 GHADHM COc1ccc(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398757 1039234789 /nfs/dbraw/zinc/23/47/89/1039234789.db2.gz XWFCFQXKWNSQNJ-KBPBESRZSA-N -1 3 382.888 3.638 20 0 GHADHM COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CCC2)c(Cl)c1[O-] ZINC001233402010 1039244961 /nfs/dbraw/zinc/24/49/61/1039244961.db2.gz XZIFDXJMXZLJLL-UHFFFAOYSA-N -1 3 384.904 3.887 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]21 ZINC001233592372 1039465493 /nfs/dbraw/zinc/46/54/93/1039465493.db2.gz MEWWOBUVAXZQIB-COXVUDFISA-N -1 3 383.872 3.900 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cccc(OC3CC3)c2F)n[n-]1 ZINC001462389841 1070220646 /nfs/dbraw/zinc/22/06/46/1070220646.db2.gz FLXFLBVRTFQGPV-HNNXBMFYSA-N -1 3 390.459 3.539 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cccc(OC3CC3)c2F)[n-]1 ZINC001462389841 1070220655 /nfs/dbraw/zinc/22/06/55/1070220655.db2.gz FLXFLBVRTFQGPV-HNNXBMFYSA-N -1 3 390.459 3.539 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cccc(OC3CC3)c2F)n1 ZINC001462389841 1070220663 /nfs/dbraw/zinc/22/06/63/1070220663.db2.gz FLXFLBVRTFQGPV-HNNXBMFYSA-N -1 3 390.459 3.539 20 0 GHADHM NC(=O)c1c([O-])cccc1OC1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001234147574 1039885641 /nfs/dbraw/zinc/88/56/41/1039885641.db2.gz SZEFEYKVUCNCHP-UHFFFAOYSA-N -1 3 380.366 3.558 20 0 GHADHM [O-]c1ccc(Cl)c(OC[C@H]2OCCc3cn(Cc4ccncc4)nc32)c1F ZINC001234266142 1039945558 /nfs/dbraw/zinc/94/55/58/1039945558.db2.gz YYEQDWFHGGZZCW-MRXNPFEDSA-N -1 3 389.814 3.517 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F ZINC001254166769 1040019196 /nfs/dbraw/zinc/01/91/96/1040019196.db2.gz LKSRCYGKOWHTED-UHFFFAOYSA-N -1 3 383.416 3.786 20 0 GHADHM [O-]c1cc(Cl)cc(F)c1OC[C@@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001234448919 1040041391 /nfs/dbraw/zinc/04/13/91/1040041391.db2.gz YRSGGGOOVOHXKU-KRWDZBQOSA-N -1 3 389.814 3.517 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)c(C)nc1Cl ZINC001254527220 1040299455 /nfs/dbraw/zinc/29/94/55/1040299455.db2.gz WBIIBSHHHJEFIY-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234789714 1040320568 /nfs/dbraw/zinc/32/05/68/1040320568.db2.gz BQSDGQAHMKRKIX-MRXNPFEDSA-N -1 3 391.464 3.690 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1C(C)=O ZINC001234791704 1040323095 /nfs/dbraw/zinc/32/30/95/1040323095.db2.gz QPKBJSXBKNBMBP-IJEWVQPXSA-N -1 3 391.464 3.546 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1C(C)=O ZINC001234792098 1040323481 /nfs/dbraw/zinc/32/34/81/1040323481.db2.gz WGXAPSPVBXAGIU-ZDUSSCGKSA-N -1 3 379.453 3.546 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1C(C)=O ZINC001234793183 1040323961 /nfs/dbraw/zinc/32/39/61/1040323961.db2.gz MVAPJBDZLYUYCQ-PXAZEXFGSA-N -1 3 393.480 3.936 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccnc2)CCC(F)(F)CC1)c1ccccc1F ZINC001255545352 1041123166 /nfs/dbraw/zinc/12/31/66/1041123166.db2.gz ZGOBCGGCJCLIAE-UHFFFAOYSA-N -1 3 384.423 3.690 20 0 GHADHM O=c1cccc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc(Cl)c([O-])c2Cl)[nH]1 ZINC001278879251 1041211706 /nfs/dbraw/zinc/21/17/06/1041211706.db2.gz ICWAOELNHILGCE-HOTGVXAUSA-N -1 3 394.302 3.648 20 0 GHADHM O=C1Nc2cnc(-c3cc([O-])cc(Cl)c3)nc2N(C2CCCC2)CC1(F)F ZINC001235898434 1041418179 /nfs/dbraw/zinc/41/81/79/1041418179.db2.gz HMTWKBQSTDJNLM-UHFFFAOYSA-N -1 3 394.809 3.839 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OCc1ccccc1)c1ccc(F)cc1F ZINC001255977297 1041452380 /nfs/dbraw/zinc/45/23/80/1041452380.db2.gz PPRXANWGRLKUNH-QZTJIDSGSA-N -1 3 381.444 3.771 20 0 GHADHM O=C(c1c(F)cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1F)N1CCCC1 ZINC001235969038 1041473986 /nfs/dbraw/zinc/47/39/86/1041473986.db2.gz HDUQTJLZNAMHAZ-UHFFFAOYSA-N -1 3 389.349 3.965 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC001256119172 1041553111 /nfs/dbraw/zinc/55/31/11/1041553111.db2.gz UPFGDWZJJXHCPF-SFHVURJKSA-N -1 3 399.434 3.940 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC001256306916 1041694621 /nfs/dbraw/zinc/69/46/21/1041694621.db2.gz QVSZBVNECJXJBQ-UHFFFAOYSA-N -1 3 394.924 3.788 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC001256323377 1041703060 /nfs/dbraw/zinc/70/30/60/1041703060.db2.gz YHKYDOXBZCAYBF-UHFFFAOYSA-N -1 3 388.272 3.900 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc(Br)c([O-])c2)Cc2c1cnn2CC ZINC001236683147 1041829358 /nfs/dbraw/zinc/82/93/58/1041829358.db2.gz HGAUYXYJFHQMIG-AWEZNQCLSA-N -1 3 394.313 3.507 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc(Br)c([O-])c2)Cc2cnn(CC)c21 ZINC001236683733 1041829501 /nfs/dbraw/zinc/82/95/01/1041829501.db2.gz HKEVPDVAUUQZBS-HNNXBMFYSA-N -1 3 394.313 3.507 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(Br)c([O-])c3)C[C@H]21 ZINC001236684110 1041830664 /nfs/dbraw/zinc/83/06/64/1041830664.db2.gz NUCWWKGOYVCLIH-DZGCQCFKSA-N -1 3 397.313 3.596 20 0 GHADHM CCOC[C@@H]1COCCC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236686138 1041831558 /nfs/dbraw/zinc/83/15/58/1041831558.db2.gz UDSSVFMSEQANIL-MRXNPFEDSA-N -1 3 398.341 3.810 20 0 GHADHM [O-]c1cc(CN2CCC(O)(Cc3ccccc3)CC2)ccc1Br ZINC001236688977 1041833184 /nfs/dbraw/zinc/83/31/84/1041833184.db2.gz FYHZXDJJYIKTTC-UHFFFAOYSA-N -1 3 376.294 3.724 20 0 GHADHM C[C@H]1CN(Cc2ccc(Br)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC001236693585 1041835493 /nfs/dbraw/zinc/83/54/93/1041835493.db2.gz ZMOIVCZRJYWPPW-LBPRGKRZSA-N -1 3 385.302 3.596 20 0 GHADHM C[C@@](O)(C1CCN(Cc2ccc(Br)c([O-])c2)CC1)C(F)(F)F ZINC001236697563 1041838987 /nfs/dbraw/zinc/83/89/87/1041838987.db2.gz FUZWTKGKOIEOPU-CQSZACIVSA-N -1 3 382.220 3.680 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)ccc1F ZINC001236705805 1041843965 /nfs/dbraw/zinc/84/39/65/1041843965.db2.gz OUZRTCQXZVUKDV-LJQANCHMSA-N -1 3 395.400 3.803 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccnc3c(Cl)cccc23)CC1 ZINC001237152946 1042066479 /nfs/dbraw/zinc/06/64/79/1042066479.db2.gz HFWGDENJJDTXTJ-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM Cn1cnc2c1[C@@H](COCC1CCCC1)CN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237157470 1042068983 /nfs/dbraw/zinc/06/89/83/1042068983.db2.gz GTAHTEOCHQNUPM-CYBMUJFWSA-N -1 3 396.944 3.542 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237157298 1042069012 /nfs/dbraw/zinc/06/90/12/1042069012.db2.gz CYNNGKURQZLAFM-QGZVFWFLSA-N -1 3 387.933 3.725 20 0 GHADHM Nc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)cc1Cl ZINC001237904701 1042417383 /nfs/dbraw/zinc/41/73/83/1042417383.db2.gz CRFBJZYIQGULLI-UHFFFAOYSA-N -1 3 384.244 3.630 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C4CC4)[nH]c3=O)c2)n1 ZINC001291587727 1043351524 /nfs/dbraw/zinc/35/15/24/1043351524.db2.gz WVXOXQUCEZMENV-UHFFFAOYSA-N -1 3 376.416 3.642 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001256518909 1043445325 /nfs/dbraw/zinc/44/53/25/1043445325.db2.gz AKGHBDFEEYWFKL-XYPYZODXSA-N -1 3 394.946 3.516 20 0 GHADHM CC(C)Cc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)n(C)n1 ZINC001292286547 1043666446 /nfs/dbraw/zinc/66/64/46/1043666446.db2.gz QZTIHFHDZHACNL-UHFFFAOYSA-N -1 3 380.448 3.556 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1cc(=O)[n-]cn1 ZINC001292715987 1043845741 /nfs/dbraw/zinc/84/57/41/1043845741.db2.gz OVNRFKNDCSXDSK-UHFFFAOYSA-N -1 3 376.347 3.914 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc3cccnc32)cc1OC ZINC001257098129 1043846584 /nfs/dbraw/zinc/84/65/84/1043846584.db2.gz UKLWNZWCOULQPK-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc2sccc2c([O-])c1 ZINC001292737585 1043854315 /nfs/dbraw/zinc/85/43/15/1043854315.db2.gz WSALSJYNFWGBGA-UHFFFAOYSA-N -1 3 376.384 3.596 20 0 GHADHM COc1ccc2cc(CC[C@H](C)n3c4[n-]c(=O)sc4c(=O)nc3N)ccc2c1 ZINC001257271592 1043950489 /nfs/dbraw/zinc/95/04/89/1043950489.db2.gz VRPBDUCQIAEAPM-NSHDSACASA-N -1 3 396.472 3.739 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1F)C1CC1)c1cccc(Cl)c1Cl ZINC001257305887 1043961483 /nfs/dbraw/zinc/96/14/83/1043961483.db2.gz FGBFQPAHUNFDNV-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1[O-] ZINC001293506215 1044219865 /nfs/dbraw/zinc/21/98/65/1044219865.db2.gz ZKXSPZJHGDABQI-AWEZNQCLSA-N -1 3 382.357 3.554 20 0 GHADHM CCC[C@@H]1SCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001293577373 1044247419 /nfs/dbraw/zinc/24/74/19/1044247419.db2.gz KYWWLEXSEPLDLF-CTNGQTDRSA-N -1 3 398.528 3.955 20 0 GHADHM CCC[C@H]1SCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001293577377 1044247618 /nfs/dbraw/zinc/24/76/18/1044247618.db2.gz KYWWLEXSEPLDLF-PZJWPPBQSA-N -1 3 398.528 3.955 20 0 GHADHM COc1cccc(-c2nnc(-c3ccc(Cn4nc(C)cc4C)cc3)o2)c1[O-] ZINC001257922729 1044260211 /nfs/dbraw/zinc/26/02/11/1044260211.db2.gz WFEDVZYGAGQRLG-UHFFFAOYSA-N -1 3 376.416 3.979 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1c(Cl)cccc1Cl ZINC001258464955 1044572883 /nfs/dbraw/zinc/57/28/83/1044572883.db2.gz FXLDJNYYKODFPJ-ZETCQYMHSA-N -1 3 382.700 3.728 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1OCCCC ZINC001294367430 1044591446 /nfs/dbraw/zinc/59/14/46/1044591446.db2.gz QBTVYGATRGLMBN-UHFFFAOYSA-N -1 3 389.452 3.806 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2Cl)c1 ZINC001462842994 1070589942 /nfs/dbraw/zinc/58/99/42/1070589942.db2.gz XPZFDTPCVPUOCN-LBPRGKRZSA-N -1 3 399.871 3.565 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(Cc2ccccc2C(F)(F)F)CCC1 ZINC001258804398 1044770613 /nfs/dbraw/zinc/77/06/13/1044770613.db2.gz DDTGXIUIZGGPCQ-UHFFFAOYSA-N -1 3 388.411 3.754 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)Cc1cccc(C(F)(F)F)c1 ZINC001258805586 1044772637 /nfs/dbraw/zinc/77/26/37/1044772637.db2.gz WLFMKWIFRJREPV-UHFFFAOYSA-N -1 3 390.427 3.857 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](O)c1ccc(F)cc1 ZINC001294752842 1044782944 /nfs/dbraw/zinc/78/29/44/1044782944.db2.gz CODONGAYQFMCAW-NYHFZMIOSA-N -1 3 379.431 3.974 20 0 GHADHM Cc1cccc(C)c1OC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(C)(C)C ZINC001295060429 1044903318 /nfs/dbraw/zinc/90/33/18/1044903318.db2.gz OCNQXQDMEUGHNN-KRWDZBQOSA-N -1 3 384.455 3.937 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(-c3nccs3)cc1)C(=O)C2 ZINC001258973144 1044913424 /nfs/dbraw/zinc/91/34/24/1044913424.db2.gz WGHHBWCAHWQLTA-LIRRHRJNSA-N -1 3 390.530 3.947 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc2C1)c1ccc(Br)s1 ZINC001259062703 1044943844 /nfs/dbraw/zinc/94/38/44/1044943844.db2.gz BYJWXHZBQQZSMO-SNVBAGLBSA-N -1 3 390.349 3.506 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001259103838 1044963082 /nfs/dbraw/zinc/96/30/82/1044963082.db2.gz ZNALYCIBQIVVNN-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Br)cc1Cl ZINC001259135858 1044977376 /nfs/dbraw/zinc/97/73/76/1044977376.db2.gz FLYZLSPHPFCHNB-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)cc1Cl ZINC001259137010 1044977810 /nfs/dbraw/zinc/97/78/10/1044977810.db2.gz FCCGYAQDFDVBON-AWEZNQCLSA-N -1 3 379.787 3.936 20 0 GHADHM C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295401752 1044999953 /nfs/dbraw/zinc/99/99/53/1044999953.db2.gz XOIBZOGGROKJHL-MRXNPFEDSA-N -1 3 398.503 3.874 20 0 GHADHM COc1cc(Br)cc(C)c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC001259253397 1045043736 /nfs/dbraw/zinc/04/37/36/1045043736.db2.gz VHWVFWNDZKFLMQ-UHFFFAOYSA-N -1 3 388.258 3.847 20 0 GHADHM CC[C@H](C)Oc1cc(CNC(=O)c2cc([O-])cc(Br)c2)ccn1 ZINC001295607436 1045069073 /nfs/dbraw/zinc/06/90/73/1045069073.db2.gz HAUVFRRHOWXNOQ-NSHDSACASA-N -1 3 379.254 3.657 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC001259335775 1045086099 /nfs/dbraw/zinc/08/60/99/1045086099.db2.gz CPGNCZAMGIQDRN-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)cc1 ZINC001259401814 1045125455 /nfs/dbraw/zinc/12/54/55/1045125455.db2.gz BAQVONMTPDMWAC-UHFFFAOYSA-N -1 3 389.246 3.571 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c(Br)c1 ZINC001259422499 1045140950 /nfs/dbraw/zinc/14/09/50/1045140950.db2.gz CJTLTNQQPDPYLO-UHFFFAOYSA-N -1 3 393.209 3.555 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1OC[C@H]1CCCO1 ZINC001259490799 1045199340 /nfs/dbraw/zinc/19/93/40/1045199340.db2.gz QIBFQYODJSOJBO-CQSZACIVSA-N -1 3 383.416 3.632 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Cl)c1cc(F)c(F)c(F)c1 ZINC001259495079 1045203273 /nfs/dbraw/zinc/20/32/73/1045203273.db2.gz AFZOZDPPFGVWJH-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2cccc3ncc(F)cc23)cc1 ZINC001259649839 1045259703 /nfs/dbraw/zinc/25/97/03/1045259703.db2.gz UOVDLBOZGJEBQZ-UHFFFAOYSA-N -1 3 390.436 3.593 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001296138319 1045260751 /nfs/dbraw/zinc/26/07/51/1045260751.db2.gz XWQKLDYWLMNJAC-CYBMUJFWSA-N -1 3 398.409 3.665 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)nc1Cl)c1ccc2c(c1)CCC2 ZINC001259855764 1045320476 /nfs/dbraw/zinc/32/04/76/1045320476.db2.gz QFVINQUSZJXUDT-UHFFFAOYSA-N -1 3 387.686 3.787 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(F)(F)F)c1cnc2ccccc2c1 ZINC001260013640 1045355688 /nfs/dbraw/zinc/35/56/88/1045355688.db2.gz FTPUIBSLRNMHQH-MRXNPFEDSA-N -1 3 382.363 3.522 20 0 GHADHM Cc1nc2c([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)cccn2c1C ZINC001260029570 1045362705 /nfs/dbraw/zinc/36/27/05/1045362705.db2.gz QFFBLTRPBDUNNA-UHFFFAOYSA-N -1 3 383.395 3.912 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c2ccncc12 ZINC001260095673 1045382594 /nfs/dbraw/zinc/38/25/94/1045382594.db2.gz YLBFMZCLMLZYOG-LJQANCHMSA-N -1 3 397.500 3.729 20 0 GHADHM CN(C)C[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(Cl)cc1 ZINC001296983621 1045418025 /nfs/dbraw/zinc/41/80/25/1045418025.db2.gz IZCAPCFSGSJOOW-HNNXBMFYSA-N -1 3 397.700 3.841 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccc1F ZINC001260256017 1045430053 /nfs/dbraw/zinc/43/00/53/1045430053.db2.gz MJRIXXUXIAFKIN-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2cn1)c1ccc(Br)cc1F ZINC001260381496 1045483837 /nfs/dbraw/zinc/48/38/37/1045483837.db2.gz GEKVQTSELTVBQH-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)n(C2CCCC2)[n-]1 ZINC001260527467 1045524971 /nfs/dbraw/zinc/52/49/71/1045524971.db2.gz QSXLMGAKHUYVMC-UHFFFAOYSA-N -1 3 390.490 3.628 20 0 GHADHM O=S(=O)(Cc1ccccc1Cl)[N-]c1nc(F)ccc1Br ZINC001260690144 1045609425 /nfs/dbraw/zinc/60/94/25/1045609425.db2.gz MQPOASUKMPJBOR-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=C(NCc1c(F)cccc1N1CCCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001297739076 1045613097 /nfs/dbraw/zinc/61/30/97/1045613097.db2.gz LDORLHICTSHAQN-UHFFFAOYSA-N -1 3 399.853 3.851 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)ccc2O1 ZINC001260717935 1045623422 /nfs/dbraw/zinc/62/34/22/1045623422.db2.gz OBMQLFONLPNPNY-UHFFFAOYSA-N -1 3 383.473 3.777 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2F)c1 ZINC001260811601 1045678919 /nfs/dbraw/zinc/67/89/19/1045678919.db2.gz ZQZIQKVDHHFZSL-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM CCCCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001260826957 1045694845 /nfs/dbraw/zinc/69/48/45/1045694845.db2.gz HFOFDVZDVBEKTK-AWEZNQCLSA-N -1 3 382.309 3.535 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1ccc(Br)c(F)c1 ZINC001260854590 1045714641 /nfs/dbraw/zinc/71/46/41/1045714641.db2.gz AYDPFAIOZSRMSZ-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM CC(C)c1cc2ncc([N-]S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cn2n1 ZINC001260891038 1045747258 /nfs/dbraw/zinc/74/72/58/1045747258.db2.gz TWEJDWZBYMQYEK-UHFFFAOYSA-N -1 3 398.410 3.813 20 0 GHADHM Cc1cc(C)cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC001260909515 1045764140 /nfs/dbraw/zinc/76/41/40/1045764140.db2.gz QEFOJMHQJAWICM-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001298307203 1045768459 /nfs/dbraw/zinc/76/84/59/1045768459.db2.gz XSZOZMIRPGXDAF-UHFFFAOYSA-N -1 3 393.472 3.802 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC001260978358 1045794569 /nfs/dbraw/zinc/79/45/69/1045794569.db2.gz OJKJHKDYLLRFTE-UHFFFAOYSA-N -1 3 397.294 3.532 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2F)cn1 ZINC001260982987 1045798143 /nfs/dbraw/zinc/79/81/43/1045798143.db2.gz SVGXHNLQHDJAKU-UHFFFAOYSA-N -1 3 385.464 3.999 20 0 GHADHM CCOC(=O)CCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261011074 1045830108 /nfs/dbraw/zinc/83/01/08/1045830108.db2.gz GKTOMJFQAOKBDY-UHFFFAOYSA-N -1 3 399.406 3.636 20 0 GHADHM O=C(Cc1ccc(Br)c(Br)c1)[N-]OCCC1CC1 ZINC001298486553 1045831405 /nfs/dbraw/zinc/83/14/05/1045831405.db2.gz KLNPVIQFIOLPEW-UHFFFAOYSA-N -1 3 377.076 3.602 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261015044 1045838502 /nfs/dbraw/zinc/83/85/02/1045838502.db2.gz XIEKZTQKTLTULT-CYBMUJFWSA-N -1 3 393.789 3.944 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCCc2ccccc21 ZINC001261066265 1045884275 /nfs/dbraw/zinc/88/42/75/1045884275.db2.gz OKAFOHYVMCJPRV-CYBMUJFWSA-N -1 3 399.921 3.934 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(CC(C)C)cc2)C2CC2)s1 ZINC001462983803 1070708293 /nfs/dbraw/zinc/70/82/93/1070708293.db2.gz NAEPOYBYPVSDFP-KRWDZBQOSA-N -1 3 380.535 3.780 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]CC1(c2ccccc2C)CCCCC1 ZINC001462984618 1070709298 /nfs/dbraw/zinc/70/92/98/1070709298.db2.gz OCROROIMVWWHHM-UHFFFAOYSA-N -1 3 398.532 3.527 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(OCc2ccccc2)cs1 ZINC001298996146 1045995701 /nfs/dbraw/zinc/99/57/01/1045995701.db2.gz YSXPHYDUEKRMJO-UHFFFAOYSA-N -1 3 391.456 3.683 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(OCc2ccccc2)cs1 ZINC001298996146 1045995705 /nfs/dbraw/zinc/99/57/05/1045995705.db2.gz YSXPHYDUEKRMJO-UHFFFAOYSA-N -1 3 391.456 3.683 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)[n-]n1 ZINC001299812042 1046050302 /nfs/dbraw/zinc/05/03/02/1046050302.db2.gz ZSUNSIGVDJIMCT-UHFFFAOYSA-N -1 3 382.420 3.591 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)n[n-]1 ZINC001299812042 1046050319 /nfs/dbraw/zinc/05/03/19/1046050319.db2.gz ZSUNSIGVDJIMCT-UHFFFAOYSA-N -1 3 382.420 3.591 20 0 GHADHM O=C(NCc1ccc(-c2cnco2)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299934652 1046098728 /nfs/dbraw/zinc/09/87/28/1046098728.db2.gz FLUUSIGMXCGKHY-UHFFFAOYSA-N -1 3 379.803 3.767 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001301110534 1046346492 /nfs/dbraw/zinc/34/64/92/1046346492.db2.gz BWCURNVBWCKGQC-FQEVSTJZSA-N -1 3 385.435 3.542 20 0 GHADHM CCCO[C@@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)CC1 ZINC001262845270 1046379425 /nfs/dbraw/zinc/37/94/25/1046379425.db2.gz UQALNEBZJOQHBP-MRXNPFEDSA-N -1 3 392.931 3.745 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1Cl)c1cc2c(cc1[O-])OCO2 ZINC001301200355 1046400260 /nfs/dbraw/zinc/40/02/60/1046400260.db2.gz CFKUBIGAQTWCRB-UHFFFAOYSA-N -1 3 375.686 3.925 20 0 GHADHM COCC1(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCCCC1 ZINC001301418421 1046533905 /nfs/dbraw/zinc/53/39/05/1046533905.db2.gz FWIBXKNDSFOCPY-UHFFFAOYSA-N -1 3 398.381 3.506 20 0 GHADHM O=C(NCCc1nsc2ccccc21)c1cc([O-])cc(Br)c1 ZINC001301434087 1046543613 /nfs/dbraw/zinc/54/36/13/1046543613.db2.gz IFYDEPXZFPLMRQ-UHFFFAOYSA-N -1 3 377.263 3.737 20 0 GHADHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC001463122586 1070821177 /nfs/dbraw/zinc/82/11/77/1070821177.db2.gz DWHPVENVFRDRPY-UHFFFAOYSA-N -1 3 391.386 3.862 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000380364413 1046867723 /nfs/dbraw/zinc/86/77/23/1046867723.db2.gz OQEQVRCGBGWHCG-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)C2CCC=CCC2)c2ccccc21)C(F)(F)F ZINC001302618316 1047008803 /nfs/dbraw/zinc/00/88/03/1047008803.db2.gz QOEJVMNUINSKFA-HNNXBMFYSA-N -1 3 380.410 3.932 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2c(F)ccc(Br)c2F)o1 ZINC001463158148 1070863902 /nfs/dbraw/zinc/86/39/02/1070863902.db2.gz PNDZSTICGVUHNM-CLTKARDFSA-N -1 3 386.148 3.759 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001303294576 1047346014 /nfs/dbraw/zinc/34/60/14/1047346014.db2.gz NNTIKVPXQOKILZ-LLVKDONJSA-N -1 3 396.871 3.610 20 0 GHADHM O=Cc1ccc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)cc2)s1 ZINC001303521636 1047411885 /nfs/dbraw/zinc/41/18/85/1047411885.db2.gz QJAZNXCQZDYHCO-UHFFFAOYSA-N -1 3 379.441 3.531 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC1(C)C ZINC001303640641 1047462931 /nfs/dbraw/zinc/46/29/31/1047462931.db2.gz KZQPZPSJJHCZMB-SFHVURJKSA-N -1 3 384.476 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380.441 3.684 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC001309138179 1050393069 /nfs/dbraw/zinc/39/30/69/1050393069.db2.gz IIIVINQOKSMNQL-UHFFFAOYSA-N -1 3 398.297 3.907 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1cccc(C(F)(F)F)c1 ZINC001309142904 1050397467 /nfs/dbraw/zinc/39/74/67/1050397467.db2.gz UZJUWBAHUTWXRS-LBPRGKRZSA-N -1 3 394.440 3.990 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)c1 ZINC001309353585 1050627572 /nfs/dbraw/zinc/62/75/72/1050627572.db2.gz NUAHUCXESFIVMF-QGZVFWFLSA-N -1 3 387.423 3.927 20 0 GHADHM COc1c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cnn1-c1ccccc1 ZINC001328759220 1050628066 /nfs/dbraw/zinc/62/80/66/1050628066.db2.gz YKDUQXSXTMVRSV-UHFFFAOYSA-N -1 3 391.456 3.576 20 0 GHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC001309407246 1050689213 /nfs/dbraw/zinc/68/92/13/1050689213.db2.gz FJXGLVYOZPTOKW-UHFFFAOYSA-N -1 3 392.212 3.906 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)CC2)c(C)c1Cl ZINC001309410963 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GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC001309793816 1050976733 /nfs/dbraw/zinc/97/67/33/1050976733.db2.gz CXINAPKMKIKZNZ-WMZOPIPTSA-N -1 3 381.856 3.847 20 0 GHADHM CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1F ZINC001309796814 1050977486 /nfs/dbraw/zinc/97/74/86/1050977486.db2.gz RYMOMYZJJNTHKI-MHTWAQMVSA-N -1 3 389.492 3.634 20 0 GHADHM CSc1c(F)cc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1F ZINC001310550980 1051440639 /nfs/dbraw/zinc/44/06/39/1051440639.db2.gz YYZCKXNRDIZBMJ-RXMQYKEDSA-N -1 3 381.330 3.706 20 0 GHADHM Cc1cccc(C)c1OC[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)C(C)(C)C ZINC001332226798 1051487715 /nfs/dbraw/zinc/48/77/15/1051487715.db2.gz UGVGCZIFGKLLBV-SFHVURJKSA-N -1 3 385.508 3.650 20 0 GHADHM O=C([O-])[C@@H](CCCNCc1ccncc1Br)Cc1ccccc1 ZINC001334840729 1051989207 /nfs/dbraw/zinc/98/92/07/1051989207.db2.gz FFOGBHCPKKUYCQ-HNNXBMFYSA-N -1 3 377.282 3.657 20 0 GHADHM Cc1ccccc1C1(C(=O)OCc2nnc(-c3ccccc3[O-])o2)CCOCC1 ZINC001337220214 1052427474 /nfs/dbraw/zinc/42/74/74/1052427474.db2.gz ZHCGHLXRUDVWKJ-UHFFFAOYSA-N -1 3 394.427 3.542 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001312090316 1052567605 /nfs/dbraw/zinc/56/76/05/1052567605.db2.gz PNGBCNZIICOHJS-YDHLFZDLSA-N -1 3 385.430 3.631 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001312864636 1052897180 /nfs/dbraw/zinc/89/71/80/1052897180.db2.gz DIZCWJWPJRCMGS-HUUCEWRRSA-N -1 3 399.532 3.603 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001318026490 1054357374 /nfs/dbraw/zinc/35/73/74/1054357374.db2.gz BLQDDLYXFVZUOA-CYBMUJFWSA-N -1 3 382.489 3.733 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001318476865 1054665631 /nfs/dbraw/zinc/66/56/31/1054665631.db2.gz UENJZWPFIXYJQL-JTQLQIEISA-N -1 3 395.349 3.729 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1OC)c1ccc(F)cc1F ZINC001319004928 1054986447 /nfs/dbraw/zinc/98/64/47/1054986447.db2.gz IOUJSQQTGOVNRP-CQSZACIVSA-N -1 3 377.359 3.681 20 0 GHADHM CC[C@H](C)[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001319052871 1055012214 /nfs/dbraw/zinc/01/22/14/1055012214.db2.gz KSLNIRIDUZZDFT-LIRRHRJNSA-N -1 3 392.496 3.643 20 0 GHADHM CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001320417998 1055794291 /nfs/dbraw/zinc/79/42/91/1055794291.db2.gz QMURNGXLMHGPGA-UHFFFAOYSA-N -1 3 381.185 3.724 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001320911141 1056011565 /nfs/dbraw/zinc/01/15/65/1056011565.db2.gz WWFMRNUNMNGJPP-UHFFFAOYSA-N -1 3 382.291 3.824 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cc(Cl)ccc1OCC1CC1 ZINC001321232755 1056175426 /nfs/dbraw/zinc/17/54/26/1056175426.db2.gz KVBYPVBPEUEKBU-UHFFFAOYSA-N -1 3 376.840 3.609 20 0 GHADHM NC(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)nc1Cl ZINC001354166457 1056389011 /nfs/dbraw/zinc/38/90/11/1056389011.db2.gz VVPSPJHZYLOETM-UHFFFAOYSA-N -1 3 389.786 3.583 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)s1 ZINC001322085775 1056511338 /nfs/dbraw/zinc/51/13/38/1056511338.db2.gz ZYYXDURUXKENSF-UHFFFAOYSA-N -1 3 386.336 3.786 20 0 GHADHM CCOC(=O)[C@@]1(F)CN(C(=O)c2cc3sccc3c([O-])c2)CC12CCC2 ZINC001300673910 1056828998 /nfs/dbraw/zinc/82/89/98/1056828998.db2.gz CDTLYWAPPXOUTI-IBGZPJMESA-N -1 3 377.437 3.504 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001322982253 1056901695 /nfs/dbraw/zinc/90/16/95/1056901695.db2.gz HYJSKQWRQQBASG-UHFFFAOYSA-N -1 3 386.452 3.717 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001324143267 1057078232 /nfs/dbraw/zinc/07/82/32/1057078232.db2.gz KHMQUMGMXFHDNZ-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC[C@H]3C(=O)OC(C)(C)C)c2)n1 ZINC001355460827 1057170030 /nfs/dbraw/zinc/17/00/30/1057170030.db2.gz IKQWPWIDWHGHLN-IAGOWNOFSA-N -1 3 397.475 3.718 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cccc(Br)c2[O-])cc1)C1CC1 ZINC001324762406 1057221046 /nfs/dbraw/zinc/22/10/46/1057221046.db2.gz CJADMXQNGDCXAA-UHFFFAOYSA-N -1 3 376.206 3.722 20 0 GHADHM O=c1cc(CN2CCC(O)(Cc3ccccc3F)CC2)nc(-c2ccccc2)[n-]1 ZINC001325014583 1057263597 /nfs/dbraw/zinc/26/35/97/1057263597.db2.gz WQOXTWQOFULDOJ-UHFFFAOYSA-N -1 3 393.462 3.558 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CC1(Cl)Cl ZINC001326515340 1057502473 /nfs/dbraw/zinc/50/24/73/1057502473.db2.gz GGTCXSIKZJLYIJ-SECBINFHSA-N -1 3 397.633 3.616 20 0 GHADHM CCc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)c([O-])c1 ZINC001440530856 1058532062 /nfs/dbraw/zinc/53/20/62/1058532062.db2.gz FVLZUJBTKYPZAR-UHFFFAOYSA-N -1 3 378.266 3.868 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H](c3ccccc3)N(C)C)n2)cc1 ZINC001440586315 1058540748 /nfs/dbraw/zinc/54/07/48/1058540748.db2.gz IFHDTCLSXPJPBL-FQEVSTJZSA-N -1 3 392.503 3.734 20 0 GHADHM COc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1OCc1ccncc1 ZINC001440801869 1058623522 /nfs/dbraw/zinc/62/35/22/1058623522.db2.gz CNJPTZIDWIMFPP-UHFFFAOYSA-N -1 3 382.391 3.695 20 0 GHADHM Cc1csc(C(=O)[N-]c2nnc(-c3ccncc3)s2)c1Br ZINC001338998960 1058919655 /nfs/dbraw/zinc/91/96/55/1058919655.db2.gz OFCHKAKZJIBNSZ-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001443298771 1059100535 /nfs/dbraw/zinc/10/05/35/1059100535.db2.gz CTDWVCZBNYUWCB-CTNGQTDRSA-N -1 3 394.515 3.738 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001444249479 1059289355 /nfs/dbraw/zinc/28/93/55/1059289355.db2.gz SDXUZPNYTYMYTF-RDJZCZTQSA-N -1 3 376.497 3.768 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3c2cccc3Cl)c(Cl)c1 ZINC001446141523 1059709341 /nfs/dbraw/zinc/70/93/41/1059709341.db2.gz QZPRDQYUQNCUCQ-UHFFFAOYSA-N -1 3 385.272 3.568 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c([O-])c1 ZINC001446278349 1059742188 /nfs/dbraw/zinc/74/21/88/1059742188.db2.gz SLCCXMCKTPHTOA-ZDUSSCGKSA-N -1 3 390.842 3.843 20 0 GHADHM O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001446847690 1059882939 /nfs/dbraw/zinc/88/29/39/1059882939.db2.gz IYASBXPWDOMNHA-LJQANCHMSA-N -1 3 381.472 3.593 20 0 GHADHM CCc1cccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1[O-] ZINC001447434801 1059964397 /nfs/dbraw/zinc/96/43/97/1059964397.db2.gz LFCQOCVNQYWAHE-XLIONFOSSA-N -1 3 381.472 3.736 20 0 GHADHM CC(C)([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC001448966055 1060307900 /nfs/dbraw/zinc/30/79/00/1060307900.db2.gz STLNVTFSXKQZHN-UHFFFAOYSA-N -1 3 381.341 3.877 20 0 GHADHM CSc1cc(O)ccc1[N-]C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001449028983 1060319900 /nfs/dbraw/zinc/31/99/00/1060319900.db2.gz OLSNUCAEZAKBLR-UHFFFAOYSA-N -1 3 376.388 3.885 20 0 GHADHM O=C(Nc1nc2c(s1)CSCC2)c1c[n-]c2c(Cl)cccc2c1=O ZINC001449335247 1060385502 /nfs/dbraw/zinc/38/55/02/1060385502.db2.gz MYCCDTVFHKZTAY-UHFFFAOYSA-N -1 3 377.878 3.680 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC2(CC2(F)F)CC1 ZINC001341189856 1060482014 /nfs/dbraw/zinc/48/20/14/1060482014.db2.gz KGISSFQWSOWXOI-UHFFFAOYSA-N -1 3 382.842 3.585 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(Cn2cccn2)cc1 ZINC001450231153 1060557968 /nfs/dbraw/zinc/55/79/68/1060557968.db2.gz PABZBZICVHIHSR-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)s1 ZINC001452717470 1060992726 /nfs/dbraw/zinc/99/27/26/1060992726.db2.gz CDLLFPHPRUVLMV-HNNXBMFYSA-N -1 3 383.473 3.694 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cc(-c2cccs2)nc2ccccc21 ZINC001452728926 1060994647 /nfs/dbraw/zinc/99/46/47/1060994647.db2.gz ZJGPAYJCCNUNJZ-UHFFFAOYSA-N -1 3 394.481 3.678 20 0 GHADHM O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452731444 1060995679 /nfs/dbraw/zinc/99/56/79/1060995679.db2.gz YVPPUDWIKPULEP-FOIQADDNSA-N -1 3 397.862 3.905 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454414025 1061773437 /nfs/dbraw/zinc/77/34/37/1061773437.db2.gz QXMTYMWJULMMKQ-XFXZXTDPSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454414025 1061773456 /nfs/dbraw/zinc/77/34/56/1061773456.db2.gz QXMTYMWJULMMKQ-XFXZXTDPSA-N -1 3 398.264 3.980 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001346735579 1061836992 /nfs/dbraw/zinc/83/69/92/1061836992.db2.gz NDNKRQBVILLFKT-LJQANCHMSA-N -1 3 375.419 3.512 20 0 GHADHM CC(C)n1cc2c(n1)[C@H](NC(=O)c1c[n-]c3c(Cl)cccc3c1=O)CCC2 ZINC001546072069 1062120458 /nfs/dbraw/zinc/12/04/58/1062120458.db2.gz YBINMMXRZPJSAL-MRXNPFEDSA-N -1 3 384.867 3.766 20 0 GHADHM COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001455611175 1062233885 /nfs/dbraw/zinc/23/38/85/1062233885.db2.gz KARIUNCCFUOEGM-SFHVURJKSA-N -1 3 399.418 3.501 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1F ZINC001347884201 1062754912 /nfs/dbraw/zinc/75/49/12/1062754912.db2.gz VRSIYMCMAPFMKE-UHFFFAOYSA-N -1 3 376.453 3.790 20 0 GHADHM O=C(N[C@H]([C@@H]1CCOC1)C(F)(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456726821 1062827610 /nfs/dbraw/zinc/82/76/10/1062827610.db2.gz NJWUNKBRTPUPPI-VQIMIIECSA-N -1 3 393.405 3.875 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1F ZINC001435772577 1062921770 /nfs/dbraw/zinc/92/17/70/1062921770.db2.gz NFHKXNSQQXKYKK-GFCCVEGCSA-N -1 3 397.443 3.960 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(O[C@H](C)C(F)(F)F)nc3C)n[n-]2)o1 ZINC001457693233 1063316726 /nfs/dbraw/zinc/31/67/26/1063316726.db2.gz WPVYZEQQNXCFMQ-SNVBAGLBSA-N -1 3 395.341 3.658 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(C(C)C)CC2)ccc1F ZINC001457716301 1063326711 /nfs/dbraw/zinc/32/67/11/1063326711.db2.gz HRIKLUCGTDEDBF-UHFFFAOYSA-N -1 3 398.544 3.705 20 0 GHADHM O=C([N-]c1nccc(Br)c1Cl)c1cc(-c2cccnc2)on1 ZINC001437282848 1063806618 /nfs/dbraw/zinc/80/66/18/1063806618.db2.gz CWRGNAQJTMXHFH-UHFFFAOYSA-N -1 3 379.601 3.800 20 0 GHADHM CCOC(=O)c1nc([N-]C(=O)c2c(C)noc2C(F)F)sc1C(F)(F)F ZINC001350146737 1064003421 /nfs/dbraw/zinc/00/34/21/1064003421.db2.gz BIMLYBDHRHZTMP-UHFFFAOYSA-N -1 3 399.297 3.825 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)CC2)n1 ZINC001350691545 1064165658 /nfs/dbraw/zinc/16/56/58/1064165658.db2.gz OSXULSKUDDJRHQ-NVXWUHKLSA-N -1 3 394.519 3.565 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCc2ccc(OC(C)(C)C)cc2)c1 ZINC001463376639 1064295348 /nfs/dbraw/zinc/29/53/48/1064295348.db2.gz RCUFBBOZKJGKIM-UHFFFAOYSA-N -1 3 382.913 3.742 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C)CC1)c1ccc2ccccc2c1 ZINC001463399019 1064312628 /nfs/dbraw/zinc/31/26/28/1064312628.db2.gz UJZPMZRUVSBBTN-DNOPENIRSA-N -1 3 375.490 3.552 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463580302 1064477601 /nfs/dbraw/zinc/47/76/01/1064477601.db2.gz QYYOIAPGTHZUTF-STQMWFEESA-N -1 3 388.942 3.822 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCC(C)CC1 ZINC001463643436 1064522393 /nfs/dbraw/zinc/52/23/93/1064522393.db2.gz WVDOZTKGEPMJJW-UHFFFAOYSA-N -1 3 380.535 3.684 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001463654448 1064529654 /nfs/dbraw/zinc/52/96/54/1064529654.db2.gz BTLHETZDLJIKRB-KBPBESRZSA-N -1 3 391.880 3.881 20 0 GHADHM O=S(=O)([N-]C/C=C/C1CC1)c1csc(-c2cccc(Br)c2)n1 ZINC001463747191 1064584099 /nfs/dbraw/zinc/58/40/99/1064584099.db2.gz KMKRVUHTYQTOLU-NSCUHMNNSA-N -1 3 399.335 3.817 20 0 GHADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CC1 ZINC001463885800 1064694975 /nfs/dbraw/zinc/69/49/75/1064694975.db2.gz XEWXIUFTHAUIFV-XIKOKIGWSA-N -1 3 380.535 3.600 20 0 GHADHM CN(C)c1ccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)cc1 ZINC001463942275 1064731252 /nfs/dbraw/zinc/73/12/52/1064731252.db2.gz JMOLLQIQQQPOEF-UHFFFAOYSA-N -1 3 391.349 3.745 20 0 GHADHM O=S(=O)([N-]CC1CC=CC1)c1ccc(Br)cc1C(F)(F)F ZINC001464090897 1064814519 /nfs/dbraw/zinc/81/45/19/1064814519.db2.gz KHWONPJDFYAMPO-UHFFFAOYSA-N -1 3 384.217 3.712 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c(F)cc1Br ZINC001464255819 1064928733 /nfs/dbraw/zinc/92/87/33/1064928733.db2.gz ONEVRWMBJJLGOR-LBPRGKRZSA-N -1 3 376.291 3.921 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)OCCc2ccccc21 ZINC001464369823 1064974943 /nfs/dbraw/zinc/97/49/43/1064974943.db2.gz XQAYUTKVDCXXTH-KRWDZBQOSA-N -1 3 386.300 3.760 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC3(CCC3)O2)sc1Br ZINC001464695995 1065160889 /nfs/dbraw/zinc/16/08/89/1065160889.db2.gz MEHHIMGPWPIEEI-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)cccc21)c1cnc(-c2ccccc2)s1 ZINC001464697102 1065161797 /nfs/dbraw/zinc/16/17/97/1065161797.db2.gz VCBSGOHKBXNCNL-OAHLLOKOSA-N -1 3 390.461 3.751 20 0 GHADHM COc1cccc2c1CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C2 ZINC001464806378 1065222379 /nfs/dbraw/zinc/22/23/79/1065222379.db2.gz NBLMGRHBWPFARU-AWEZNQCLSA-N -1 3 381.444 3.508 20 0 GHADHM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCc2cccc(Cl)c2C1 ZINC001352857991 1065379337 /nfs/dbraw/zinc/37/93/37/1065379337.db2.gz ZMZGTFSJRFDQBV-UHFFFAOYSA-N -1 3 396.882 3.554 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 ZINC001465269352 1065513332 /nfs/dbraw/zinc/51/33/32/1065513332.db2.gz QDSRTWNOAAKVJT-AWEZNQCLSA-N -1 3 392.459 3.938 20 0 GHADHM CCOc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(C(N)=O)c1 ZINC001465286750 1065527106 /nfs/dbraw/zinc/52/71/06/1065527106.db2.gz WTSAFXZUBVQEGM-UHFFFAOYSA-N -1 3 390.439 3.733 20 0 GHADHM Cn1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)nc2cc(F)ccc21 ZINC001465443581 1065618575 /nfs/dbraw/zinc/61/85/75/1065618575.db2.gz XETICLMYDOXMQV-UHFFFAOYSA-N -1 3 392.390 3.650 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001465444867 1065621171 /nfs/dbraw/zinc/62/11/71/1065621171.db2.gz MYXGJPPVSGCYJQ-ZDUSSCGKSA-N -1 3 376.478 3.688 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc(-n2cccn2)cc1 ZINC001465450178 1065625792 /nfs/dbraw/zinc/62/57/92/1065625792.db2.gz XFYFUSRFVMBDQA-LBPRGKRZSA-N -1 3 386.249 3.831 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300196251 1065639652 /nfs/dbraw/zinc/63/96/52/1065639652.db2.gz UYOWQLUWJDALDE-ZDUSSCGKSA-N -1 3 386.452 3.624 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1F ZINC001465698275 1065796303 /nfs/dbraw/zinc/79/63/03/1065796303.db2.gz ODJOUGJTDQZROT-SFHVURJKSA-N -1 3 392.496 3.559 20 0 GHADHM Cc1cccc(N2CCN(CCC(=O)Nc3ccc4[n-]c(=S)oc4c3)CC2)c1 ZINC001465828837 1065885391 /nfs/dbraw/zinc/88/53/91/1065885391.db2.gz LOCPAKFXUZREPK-UHFFFAOYSA-N -1 3 396.516 3.576 20 0 GHADHM CCc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC001465881102 1065907989 /nfs/dbraw/zinc/90/79/89/1065907989.db2.gz XOWWLKHKIYBMMT-AWEZNQCLSA-N -1 3 381.394 3.554 20 0 GHADHM CCc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC001465881103 1065908303 /nfs/dbraw/zinc/90/83/03/1065908303.db2.gz XOWWLKHKIYBMMT-CQSZACIVSA-N -1 3 381.394 3.554 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001465991176 1065948336 /nfs/dbraw/zinc/94/83/36/1065948336.db2.gz BIDVUGWPDONXAM-KRWDZBQOSA-N -1 3 398.846 3.606 20 0 GHADHM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466215711 1066040390 /nfs/dbraw/zinc/04/03/90/1066040390.db2.gz ADYJIWHKIBLQDU-UHFFFAOYSA-N -1 3 387.439 3.757 20 0 GHADHM COC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1F ZINC001466380945 1066124830 /nfs/dbraw/zinc/12/48/30/1066124830.db2.gz PDGNPXZXTVTDAX-UHFFFAOYSA-N -1 3 389.770 3.751 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(-c3c[nH]c4ccccc43)[nH]n2)c([O-])c1 ZINC001466542237 1066185278 /nfs/dbraw/zinc/18/52/78/1066185278.db2.gz QMHJPTNMZGIGEY-UHFFFAOYSA-N -1 3 390.399 3.693 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(c3cccnc3)CC3(CCC3)C2)c([O-])c1 ZINC001466544367 1066185960 /nfs/dbraw/zinc/18/59/60/1066185960.db2.gz MWVQCTSRKUDZCZ-UHFFFAOYSA-N -1 3 380.444 3.805 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccc(C)c(C)c3)nc21 ZINC001357296740 1067037063 /nfs/dbraw/zinc/03/70/63/1067037063.db2.gz WYUPTRZLEUGXGQ-UHFFFAOYSA-N -1 3 381.432 3.764 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c(C)o1 ZINC001358025635 1067368802 /nfs/dbraw/zinc/36/88/02/1067368802.db2.gz FJVVSZRTSOTNRJ-UHFFFAOYSA-N -1 3 377.809 3.799 20 0 GHADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001467610396 1067384494 /nfs/dbraw/zinc/38/44/94/1067384494.db2.gz KEGKJHMYYONKAV-SFHVURJKSA-N -1 3 396.882 3.919 20 0 GHADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001467610396 1067384502 /nfs/dbraw/zinc/38/45/02/1067384502.db2.gz KEGKJHMYYONKAV-SFHVURJKSA-N -1 3 396.882 3.919 20 0 GHADHM Cc1cc(I)cc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001467822442 1067482480 /nfs/dbraw/zinc/48/24/80/1067482480.db2.gz NAWCYDYYTLBGGO-UHFFFAOYSA-N -1 3 395.122 3.594 20 0 GHADHM Cc1cc(I)cc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001467822442 1067482487 /nfs/dbraw/zinc/48/24/87/1067482487.db2.gz NAWCYDYYTLBGGO-UHFFFAOYSA-N -1 3 395.122 3.594 20 0 GHADHM CC(C)OCCO[N-]C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001468347983 1067696512 /nfs/dbraw/zinc/69/65/12/1067696512.db2.gz OPQWNDOPFSVYBR-INIZCTEOSA-N -1 3 392.496 3.778 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001468455600 1067737608 /nfs/dbraw/zinc/73/76/08/1067737608.db2.gz PDIJCSZZEQXTNM-UHFFFAOYSA-N -1 3 385.729 3.916 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC001469175750 1068011354 /nfs/dbraw/zinc/01/13/54/1068011354.db2.gz BYVQKSRFNBQAPP-NWDGAFQWSA-N -1 3 398.297 3.737 20 0 GHADHM O=C(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1c(F)cccc1F ZINC001469242979 1068052946 /nfs/dbraw/zinc/05/29/46/1068052946.db2.gz AMDJQAHTHHYBFL-UHFFFAOYSA-N -1 3 381.378 3.874 20 0 GHADHM CCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1OC ZINC001469322781 1068102059 /nfs/dbraw/zinc/10/20/59/1068102059.db2.gz GBXKZXGSLCNLHX-UHFFFAOYSA-N -1 3 395.843 3.678 20 0 GHADHM CCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1OC ZINC001469322781 1068102062 /nfs/dbraw/zinc/10/20/62/1068102062.db2.gz GBXKZXGSLCNLHX-UHFFFAOYSA-N -1 3 395.843 3.678 20 0 GHADHM Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(C(N)=O)c1 ZINC001469367405 1068126422 /nfs/dbraw/zinc/12/64/22/1068126422.db2.gz KTTOABGZJIXCMM-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM C[C@H]1C[C@@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC(C)(C)C1 ZINC001469557148 1068222372 /nfs/dbraw/zinc/22/23/72/1068222372.db2.gz FGNMWTYWSBDAPF-AJNGGQMLSA-N -1 3 376.463 3.897 20 0 GHADHM COc1ccccc1C=C(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC001469714313 1068331662 /nfs/dbraw/zinc/33/16/62/1068331662.db2.gz IKLZGIXDBUESEX-UZNZLNSGSA-N -1 3 389.455 3.681 20 0 GHADHM O=C(NCC1(c2ccccc2F)CCC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001469780487 1068383309 /nfs/dbraw/zinc/38/33/09/1068383309.db2.gz MPRSGZPRNBWLHX-UHFFFAOYSA-N -1 3 386.373 3.797 20 0 GHADHM COc1ccc(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)c([O-])c1 ZINC001469901222 1068460173 /nfs/dbraw/zinc/46/01/73/1068460173.db2.gz WRFGYFRCUIMLQX-OAHLLOKOSA-N -1 3 394.290 3.881 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(Br)c(F)cc2F)nn1-c1ccccc1 ZINC001460277150 1068902836 /nfs/dbraw/zinc/90/28/36/1068902836.db2.gz ZEPZTVLZAYKFHX-UHFFFAOYSA-N -1 3 393.191 3.869 20 0 GHADHM Cc1ccccc1C(F)(F)CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001470492357 1072589206 /nfs/dbraw/zinc/58/92/06/1072589206.db2.gz GMQZSMPUYHVEJM-UHFFFAOYSA-N -1 3 378.325 3.637 20 0 GHADHM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001470500546 1072595094 /nfs/dbraw/zinc/59/50/94/1072595094.db2.gz ZIVNBENPWZKPCT-CWTRNNRKSA-N -1 3 380.872 3.565 20 0 GHADHM Cc1sccc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001471086454 1072916873 /nfs/dbraw/zinc/91/68/73/1072916873.db2.gz VAYNTPPXPIRNNA-UHFFFAOYSA-N -1 3 387.486 3.961 20 0 GHADHM CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@@H]1O ZINC001471092941 1072919143 /nfs/dbraw/zinc/91/91/43/1072919143.db2.gz TVANGMAMEHCZIS-BWAGFHJFSA-N -1 3 379.500 3.799 20 0 GHADHM C[C@@H]1C[C@]2(CC[C@H](CNC(=O)c3cc(CCc4ccccc4)ccc3[O-])O2)CO1 ZINC001471921153 1073261312 /nfs/dbraw/zinc/26/13/12/1073261312.db2.gz XAJYURBOBCDQCE-WSCWJOSJSA-N -1 3 395.499 3.634 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC001471996610 1073297394 /nfs/dbraw/zinc/29/73/94/1073297394.db2.gz LSILAGHQCDRVIP-XLIONFOSSA-N -1 3 380.488 3.615 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)[n-]n1 ZINC001472091108 1073330387 /nfs/dbraw/zinc/33/03/87/1073330387.db2.gz OBPOWYJBMCPPCY-NWDGAFQWSA-N -1 3 397.353 3.616 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)n[n-]1 ZINC001472091108 1073330395 /nfs/dbraw/zinc/33/03/95/1073330395.db2.gz OBPOWYJBMCPPCY-NWDGAFQWSA-N -1 3 397.353 3.616 20 0 GHADHM C[C@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472111991 1073338110 /nfs/dbraw/zinc/33/81/10/1073338110.db2.gz VEMTXVALVZDBPY-FZMZJTMJSA-N -1 3 381.402 3.760 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(OC2CCCC2)cc1 ZINC001472288901 1073401270 /nfs/dbraw/zinc/40/12/70/1073401270.db2.gz SOICCBCFYYXCCJ-JCNLHEQBSA-N -1 3 381.476 3.960 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccc(OCC)cc4[nH]3)nc21 ZINC001472300293 1073406948 /nfs/dbraw/zinc/40/69/48/1073406948.db2.gz DXQLRZQKXYXLGK-UHFFFAOYSA-N -1 3 392.415 3.872 20 0 GHADHM Cc1[nH]nc2nc(C)cc(C(=O)Nc3n[n-]c(SCc4ccc(C)cc4)n3)c12 ZINC001472355402 1073441809 /nfs/dbraw/zinc/44/18/09/1073441809.db2.gz JEDNSJVJGAMSLK-UHFFFAOYSA-N -1 3 393.476 3.546 20 0 GHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1 ZINC001472357385 1073442860 /nfs/dbraw/zinc/44/28/60/1073442860.db2.gz KKYDPHGESIMDAT-UHFFFAOYSA-N -1 3 395.488 3.925 20 0 GHADHM O=C(NCCNc1ncnc2scc(-c3cccs3)c21)c1ccc([O-])cc1 ZINC001472658935 1073601530 /nfs/dbraw/zinc/60/15/30/1073601530.db2.gz HCHDNMYKRREMEK-UHFFFAOYSA-N -1 3 396.497 3.967 20 0 GHADHM CCOc1cc(CN2CCC[C@H](NC(=O)c3ccccc3)C2)cc(Cl)c1[O-] ZINC001474349882 1074356920 /nfs/dbraw/zinc/35/69/20/1074356920.db2.gz DRIHZSGANWNEBO-KRWDZBQOSA-N -1 3 388.895 3.839 20 0 GHADHM COC(C)(C)C[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001475012664 1074682464 /nfs/dbraw/zinc/68/24/64/1074682464.db2.gz BLTFGOIKJJPUDL-UHFFFAOYSA-N -1 3 394.440 3.532 20 0 GHADHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475135330 1074752700 /nfs/dbraw/zinc/75/27/00/1074752700.db2.gz ZVJSYNZMODJGCN-AQUOVQTQSA-N -1 3 385.835 3.697 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)c2ccc(Cl)cc2)no1 ZINC001475147762 1074757649 /nfs/dbraw/zinc/75/76/49/1074757649.db2.gz RGINNYUXRMZEBG-HNNXBMFYSA-N -1 3 385.917 3.722 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2cn3cccc(C)c3n2)c(-c2ccccc2)s1 ZINC001475161120 1074763735 /nfs/dbraw/zinc/76/37/35/1074763735.db2.gz AFEGCEGIBOOPBG-UHFFFAOYSA-N -1 3 398.513 3.553 20 0 GHADHM O=C1CCc2ccc(S(=O)(=O)[N-][C@@H](C3CCCCC3)C(F)(F)F)cc21 ZINC001475185237 1074775491 /nfs/dbraw/zinc/77/54/91/1074775491.db2.gz NCXPRHJZWJMWJU-INIZCTEOSA-N -1 3 375.412 3.605 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001475210880 1074787590 /nfs/dbraw/zinc/78/75/90/1074787590.db2.gz AAKYLJNEJHUKSR-LSDHHAIUSA-N -1 3 381.444 3.663 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)cc1F ZINC001475272118 1074816061 /nfs/dbraw/zinc/81/60/61/1074816061.db2.gz MONDNLYQNJSISV-LSDHHAIUSA-N -1 3 381.444 3.978 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1F ZINC001475272117 1074816293 /nfs/dbraw/zinc/81/62/93/1074816293.db2.gz MONDNLYQNJSISV-HUUCEWRRSA-N -1 3 381.444 3.978 20 0 GHADHM CC[C@]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)(C(=O)OC)c1ccccc1 ZINC001475286991 1074823054 /nfs/dbraw/zinc/82/30/54/1074823054.db2.gz JZDFJBWWMGENFY-OAQYLSRUSA-N -1 3 389.517 3.741 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1ccc(C(F)(F)F)nc1Cl ZINC001475329612 1074836004 /nfs/dbraw/zinc/83/60/04/1074836004.db2.gz MWGDXLXZEFQDBI-MRVPVSSYSA-N -1 3 392.777 3.858 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1ccc(C(F)(F)F)nc1Cl ZINC001475329613 1074836188 /nfs/dbraw/zinc/83/61/88/1074836188.db2.gz MWGDXLXZEFQDBI-QMMMGPOBSA-N -1 3 392.777 3.858 20 0 GHADHM O=S(=O)([N-]CCCSc1ccccn1)c1cnc(-c2ccccc2)s1 ZINC001475449708 1074878788 /nfs/dbraw/zinc/87/87/88/1074878788.db2.gz FONOEJDEDPPDAJ-UHFFFAOYSA-N -1 3 391.543 3.666 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cnco2)c1)c1csnc1-c1ccccc1 ZINC001475450001 1074878878 /nfs/dbraw/zinc/87/88/78/1074878878.db2.gz JHCBSTSPSGVHSW-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001475730102 1075010128 /nfs/dbraw/zinc/01/01/28/1075010128.db2.gz XWAIFSZNBIIKIP-AVCMKVNGSA-N -1 3 387.501 3.968 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)s1 ZINC001475748901 1075013781 /nfs/dbraw/zinc/01/37/81/1075013781.db2.gz CNAGTQKFUDYIDQ-AEFFLSMTSA-N -1 3 386.498 3.995 20 0 GHADHM COc1cc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc2ccccc21 ZINC001475758702 1075015837 /nfs/dbraw/zinc/01/58/37/1075015837.db2.gz XTZRUPVDMSCLCF-CANCMXDXSA-N -1 3 398.550 3.640 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001475798618 1075024210 /nfs/dbraw/zinc/02/42/10/1075024210.db2.gz LWNBOPVWRUOHAQ-QWRGUYRKSA-N -1 3 382.835 3.858 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(N)ccc2Cl)ccc1Br ZINC000038033750 207259134 /nfs/dbraw/zinc/25/91/34/207259134.db2.gz CXLVWOOUZCNVCL-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM Cc1nnc([N-]C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)s1 ZINC000024134098 207287433 /nfs/dbraw/zinc/28/74/33/207287433.db2.gz UMWYLFCEXYLWCE-UHFFFAOYSA-N -1 3 387.774 3.957 20 0 GHADHM CCCCSCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736463884 598830765 /nfs/dbraw/zinc/83/07/65/598830765.db2.gz RSLDXBJZUJPURG-UHFFFAOYSA-N -1 3 385.493 3.916 20 0 GHADHM CCCCSCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736463884 598830766 /nfs/dbraw/zinc/83/07/66/598830766.db2.gz RSLDXBJZUJPURG-UHFFFAOYSA-N -1 3 385.493 3.916 20 0 GHADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737824511 598831721 /nfs/dbraw/zinc/83/17/21/598831721.db2.gz WPHBDCKSUFPABC-LBPRGKRZSA-N -1 3 399.838 3.678 20 0 GHADHM O=C(C[C@@H]1CCOC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737824511 598831723 /nfs/dbraw/zinc/83/17/23/598831723.db2.gz WPHBDCKSUFPABC-LBPRGKRZSA-N -1 3 399.838 3.678 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccccc1F ZINC000738111651 598834703 /nfs/dbraw/zinc/83/47/03/598834703.db2.gz IVMJLVDNKKFQNI-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM CC1CCN(c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736279858 598835423 /nfs/dbraw/zinc/83/54/23/598835423.db2.gz NUDWUOCAXXJCGE-KTKRTIGZSA-N -1 3 388.475 3.755 20 0 GHADHM CC1CCN(c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736279858 598835424 /nfs/dbraw/zinc/83/54/24/598835424.db2.gz NUDWUOCAXXJCGE-KTKRTIGZSA-N -1 3 388.475 3.755 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737047684 598852505 /nfs/dbraw/zinc/85/25/05/598852505.db2.gz PPYQTIJLBTVKJP-UHFFFAOYSA-N -1 3 376.779 3.620 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737047684 598852507 /nfs/dbraw/zinc/85/25/07/598852507.db2.gz PPYQTIJLBTVKJP-UHFFFAOYSA-N -1 3 376.779 3.620 20 0 GHADHM Clc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)c(Br)c1 ZINC000737575566 598861777 /nfs/dbraw/zinc/86/17/77/598861777.db2.gz MVYPAPLHDUQJSK-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)c(Br)c1 ZINC000737575566 598861779 /nfs/dbraw/zinc/86/17/79/598861779.db2.gz MVYPAPLHDUQJSK-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCCC1 ZINC000736118969 598879692 /nfs/dbraw/zinc/87/96/92/598879692.db2.gz WQHAZSSZTWQTPD-CYBMUJFWSA-N -1 3 393.451 3.754 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCCC1 ZINC000736118969 598879693 /nfs/dbraw/zinc/87/96/93/598879693.db2.gz WQHAZSSZTWQTPD-CYBMUJFWSA-N -1 3 393.451 3.754 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736666151 598883768 /nfs/dbraw/zinc/88/37/68/598883768.db2.gz LRDUPDLCOUYNQT-FZKQIMNGSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666151 598883770 /nfs/dbraw/zinc/88/37/70/598883770.db2.gz LRDUPDLCOUYNQT-FZKQIMNGSA-N -1 3 397.504 3.544 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NCC1(c2cccs2)CCCCC1 ZINC000738117849 598889397 /nfs/dbraw/zinc/88/93/97/598889397.db2.gz WXVOICZFZIIOFY-UHFFFAOYSA-N -1 3 396.520 3.630 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NCC1(c2cccs2)CCCCC1 ZINC000738117849 598889398 /nfs/dbraw/zinc/88/93/98/598889398.db2.gz WXVOICZFZIIOFY-UHFFFAOYSA-N -1 3 396.520 3.630 20 0 GHADHM CC[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736403370 598890048 /nfs/dbraw/zinc/89/00/48/598890048.db2.gz UWVYMVNOCQHRSB-AWEZNQCLSA-N -1 3 396.520 3.927 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ncc(-c2ccccc2)o1 ZINC000736116258 598904823 /nfs/dbraw/zinc/90/48/23/598904823.db2.gz MDWGJWBWTWYCAG-LLVKDONJSA-N -1 3 393.382 3.544 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ncc(-c2ccccc2)o1 ZINC000736116258 598904825 /nfs/dbraw/zinc/90/48/25/598904825.db2.gz MDWGJWBWTWYCAG-LLVKDONJSA-N -1 3 393.382 3.544 20 0 GHADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000736353343 598907224 /nfs/dbraw/zinc/90/72/24/598907224.db2.gz WVVKJNIVMSKLRG-JQWIXIFHSA-N -1 3 391.884 3.616 20 0 GHADHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000736353343 598907227 /nfs/dbraw/zinc/90/72/27/598907227.db2.gz WVVKJNIVMSKLRG-JQWIXIFHSA-N -1 3 391.884 3.616 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N[C@H]1CC=CCC1 ZINC000738113185 598907397 /nfs/dbraw/zinc/90/73/97/598907397.db2.gz WDJFFAOQQLZNQM-HNNXBMFYSA-N -1 3 380.477 3.503 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736269873 598908390 /nfs/dbraw/zinc/90/83/90/598908390.db2.gz YOYYZQTZDSEETO-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736269873 598908391 /nfs/dbraw/zinc/90/83/91/598908391.db2.gz YOYYZQTZDSEETO-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738213082 598909761 /nfs/dbraw/zinc/90/97/61/598909761.db2.gz FAQNFWFFIRYKMQ-AWEZNQCLSA-N -1 3 396.756 3.851 20 0 GHADHM O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738213082 598909764 /nfs/dbraw/zinc/90/97/64/598909764.db2.gz FAQNFWFFIRYKMQ-AWEZNQCLSA-N -1 3 396.756 3.851 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737058403 598912890 /nfs/dbraw/zinc/91/28/90/598912890.db2.gz LBGSOXBQJSALBX-SJORKVTESA-N -1 3 377.448 3.741 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737058403 598912891 /nfs/dbraw/zinc/91/28/91/598912891.db2.gz LBGSOXBQJSALBX-SJORKVTESA-N -1 3 377.448 3.741 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737831828 598913655 /nfs/dbraw/zinc/91/36/55/598913655.db2.gz FFYGUKHNXAUJOJ-QFIPXVFZSA-N -1 3 395.507 3.765 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000737831828 598913657 /nfs/dbraw/zinc/91/36/57/598913657.db2.gz FFYGUKHNXAUJOJ-QFIPXVFZSA-N -1 3 395.507 3.765 20 0 GHADHM Fc1cccc(Cl)c1C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737661145 598939103 /nfs/dbraw/zinc/93/91/03/598939103.db2.gz NESDKCXLCKOPFP-NSHDSACASA-N -1 3 393.253 3.919 20 0 GHADHM Fc1cccc(Cl)c1C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737661145 598939104 /nfs/dbraw/zinc/93/91/04/598939104.db2.gz NESDKCXLCKOPFP-NSHDSACASA-N -1 3 393.253 3.919 20 0 GHADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736586262 598960870 /nfs/dbraw/zinc/96/08/70/598960870.db2.gz NBJUJQHNZBQQQP-LLVKDONJSA-N -1 3 387.827 3.676 20 0 GHADHM CCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736586262 598960872 /nfs/dbraw/zinc/96/08/72/598960872.db2.gz NBJUJQHNZBQQQP-LLVKDONJSA-N -1 3 387.827 3.676 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000737357721 598966969 /nfs/dbraw/zinc/96/69/69/598966969.db2.gz SOUYEPLWOKSWKX-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737357721 598966970 /nfs/dbraw/zinc/96/69/70/598966970.db2.gz SOUYEPLWOKSWKX-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736399418 598977333 /nfs/dbraw/zinc/97/73/33/598977333.db2.gz GISSKFDTPKROQR-LJQANCHMSA-N -1 3 391.475 3.850 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736399418 598977335 /nfs/dbraw/zinc/97/73/35/598977335.db2.gz GISSKFDTPKROQR-LJQANCHMSA-N -1 3 391.475 3.850 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738182454 598980040 /nfs/dbraw/zinc/98/00/40/598980040.db2.gz FJAZYEMYUMRQHL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000736741123 598983596 /nfs/dbraw/zinc/98/35/96/598983596.db2.gz AMMMEPOHNNRZJU-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735859270 598990549 /nfs/dbraw/zinc/99/05/49/598990549.db2.gz QJAJAXNETXHHBD-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736424803 598992667 /nfs/dbraw/zinc/99/26/67/598992667.db2.gz STYVLVROYRAXAD-OAHLLOKOSA-N -1 3 379.464 3.706 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736423169 598992973 /nfs/dbraw/zinc/99/29/73/598992973.db2.gz LMSFJXOTVCSBDT-OAHLLOKOSA-N -1 3 379.464 3.706 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736423169 598992975 /nfs/dbraw/zinc/99/29/75/598992975.db2.gz LMSFJXOTVCSBDT-OAHLLOKOSA-N -1 3 379.464 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736267665 598998411 /nfs/dbraw/zinc/99/84/11/598998411.db2.gz UOROKUFISBWHBH-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736267665 598998413 /nfs/dbraw/zinc/99/84/13/598998413.db2.gz UOROKUFISBWHBH-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737944256 599016302 /nfs/dbraw/zinc/01/63/02/599016302.db2.gz ZIYGMFLWXXJDAA-UHFFFAOYSA-N -1 3 397.479 3.537 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737944256 599016304 /nfs/dbraw/zinc/01/63/04/599016304.db2.gz ZIYGMFLWXXJDAA-UHFFFAOYSA-N -1 3 397.479 3.537 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cn2)c1C ZINC000737411903 599016344 /nfs/dbraw/zinc/01/63/44/599016344.db2.gz RHCSWQMQNIVWLL-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cn2)c1C ZINC000737411903 599016345 /nfs/dbraw/zinc/01/63/45/599016345.db2.gz RHCSWQMQNIVWLL-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110871 599018859 /nfs/dbraw/zinc/01/88/59/599018859.db2.gz CMPPWVVLPPXQID-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110871 599018860 /nfs/dbraw/zinc/01/88/60/599018860.db2.gz CMPPWVVLPPXQID-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM Fc1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(F)c1F ZINC000737654050 599033673 /nfs/dbraw/zinc/03/36/73/599033673.db2.gz XOQTZAYHFDAWGB-UHFFFAOYSA-N -1 3 384.774 3.746 20 0 GHADHM Fc1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(F)c1F ZINC000737654050 599033675 /nfs/dbraw/zinc/03/36/75/599033675.db2.gz XOQTZAYHFDAWGB-UHFFFAOYSA-N -1 3 384.774 3.746 20 0 GHADHM CCCc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736496282 599034916 /nfs/dbraw/zinc/03/49/16/599034916.db2.gz CMZYWNJYFVJEMD-LBPRGKRZSA-N -1 3 384.871 3.912 20 0 GHADHM CCCc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736496282 599034919 /nfs/dbraw/zinc/03/49/19/599034919.db2.gz CMZYWNJYFVJEMD-LBPRGKRZSA-N -1 3 384.871 3.912 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737077264 599039543 /nfs/dbraw/zinc/03/95/43/599039543.db2.gz VHICYYDEUZNXMW-SNVBAGLBSA-N -1 3 378.358 3.771 20 0 GHADHM COc1ccc(C)cc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737077264 599039546 /nfs/dbraw/zinc/03/95/46/599039546.db2.gz VHICYYDEUZNXMW-SNVBAGLBSA-N -1 3 378.358 3.771 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000737633432 599042160 /nfs/dbraw/zinc/04/21/60/599042160.db2.gz RDKPCPOGCREFFT-JGVFFNPUSA-N -1 3 380.296 3.814 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000737633432 599042162 /nfs/dbraw/zinc/04/21/62/599042162.db2.gz RDKPCPOGCREFFT-JGVFFNPUSA-N -1 3 380.296 3.814 20 0 GHADHM Cc1ccc(OCCCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737364915 599046611 /nfs/dbraw/zinc/04/66/11/599046611.db2.gz HSLUEXDTGLHTCS-UHFFFAOYSA-N -1 3 392.385 3.860 20 0 GHADHM Cc1ccc(OCCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737364915 599046614 /nfs/dbraw/zinc/04/66/14/599046614.db2.gz HSLUEXDTGLHTCS-UHFFFAOYSA-N -1 3 392.385 3.860 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737390365 599061709 /nfs/dbraw/zinc/06/17/09/599061709.db2.gz SQVOMVCTNJTCPV-INIZCTEOSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737390365 599061712 /nfs/dbraw/zinc/06/17/12/599061712.db2.gz SQVOMVCTNJTCPV-INIZCTEOSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(NCc4cc(-c5nnn[n-]5)ccc4F)c23)C1 ZINC000820735345 599068992 /nfs/dbraw/zinc/06/89/92/599068992.db2.gz RJKATUWVXBRLTB-SNVBAGLBSA-N -1 3 395.467 3.747 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(NCc4cc(-c5nn[n-]n5)ccc4F)c23)C1 ZINC000820735345 599068994 /nfs/dbraw/zinc/06/89/94/599068994.db2.gz RJKATUWVXBRLTB-SNVBAGLBSA-N -1 3 395.467 3.747 20 0 GHADHM C[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccco1 ZINC000735546622 599075962 /nfs/dbraw/zinc/07/59/62/599075962.db2.gz FRJLQGSLXHFEEX-GFCCVEGCSA-N -1 3 379.445 3.608 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000736685039 599085133 /nfs/dbraw/zinc/08/51/33/599085133.db2.gz JZJWEIZIEXZUBJ-PBHICJAKSA-N -1 3 395.463 3.543 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000736685039 599085135 /nfs/dbraw/zinc/08/51/35/599085135.db2.gz JZJWEIZIEXZUBJ-PBHICJAKSA-N -1 3 395.463 3.543 20 0 GHADHM CC(C)C[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735784327 599109509 /nfs/dbraw/zinc/10/95/09/599109509.db2.gz UIJUERHUQSPVQK-KRWDZBQOSA-N -1 3 381.505 3.862 20 0 GHADHM CC(C)C[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735784327 599109511 /nfs/dbraw/zinc/10/95/11/599109511.db2.gz UIJUERHUQSPVQK-KRWDZBQOSA-N -1 3 381.505 3.862 20 0 GHADHM COc1ccc(NC(=O)[C@H](Sc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737102972 599111685 /nfs/dbraw/zinc/11/16/85/599111685.db2.gz PVUXWNHHNBWYSR-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccc(NC(=O)[C@H](Sc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737102972 599111687 /nfs/dbraw/zinc/11/16/87/599111687.db2.gz PVUXWNHHNBWYSR-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COc1cccc(-c2nnn[n-]2)c1 ZINC000737520315 599111774 /nfs/dbraw/zinc/11/17/74/599111774.db2.gz DOPZGKJMNQZFCM-UHFFFAOYSA-N -1 3 394.866 3.961 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COc1cccc(-c2nn[n-]n2)c1 ZINC000737520315 599111777 /nfs/dbraw/zinc/11/17/77/599111777.db2.gz DOPZGKJMNQZFCM-UHFFFAOYSA-N -1 3 394.866 3.961 20 0 GHADHM Brc1ccccc1-c1cnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735368207 599158305 /nfs/dbraw/zinc/15/83/05/599158305.db2.gz HRGLNNKYIMEEMM-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000736480573 599160460 /nfs/dbraw/zinc/16/04/60/599160460.db2.gz RRUDWDOMEWCNFI-HNNXBMFYSA-N -1 3 381.455 3.938 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000736480573 599160463 /nfs/dbraw/zinc/16/04/63/599160463.db2.gz RRUDWDOMEWCNFI-HNNXBMFYSA-N -1 3 381.455 3.938 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1 ZINC000735977807 599160804 /nfs/dbraw/zinc/16/08/04/599160804.db2.gz XYFHKJCWUUTTJS-AWEZNQCLSA-N -1 3 379.439 3.691 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1 ZINC000735977807 599160806 /nfs/dbraw/zinc/16/08/06/599160806.db2.gz XYFHKJCWUUTTJS-AWEZNQCLSA-N -1 3 379.439 3.691 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597692 599161906 /nfs/dbraw/zinc/16/19/06/599161906.db2.gz SJRAEDSXNTUSQG-IEBWSBKVSA-N -1 3 396.539 3.510 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735839449 599170408 /nfs/dbraw/zinc/17/04/08/599170408.db2.gz VENVORPLLDYGLR-UHFFFAOYSA-N -1 3 385.468 3.684 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735839449 599170409 /nfs/dbraw/zinc/17/04/09/599170409.db2.gz VENVORPLLDYGLR-UHFFFAOYSA-N -1 3 385.468 3.684 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCc1nc(-c2ccccc2)no1 ZINC000737643858 599171930 /nfs/dbraw/zinc/17/19/30/599171930.db2.gz GREIXHCCQYTBJU-UHFFFAOYSA-N -1 3 382.424 3.781 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCc1nc(-c2ccccc2)no1 ZINC000737643858 599171933 /nfs/dbraw/zinc/17/19/33/599171933.db2.gz GREIXHCCQYTBJU-UHFFFAOYSA-N -1 3 382.424 3.781 20 0 GHADHM Cc1sc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c(C)c1C ZINC000737564611 599172081 /nfs/dbraw/zinc/17/20/81/599172081.db2.gz ROGGFYGOXPMMME-UHFFFAOYSA-N -1 3 377.470 3.723 20 0 GHADHM Cc1sc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c(C)c1C ZINC000737564611 599172083 /nfs/dbraw/zinc/17/20/83/599172083.db2.gz ROGGFYGOXPMMME-UHFFFAOYSA-N -1 3 377.470 3.723 20 0 GHADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736125466 599181855 /nfs/dbraw/zinc/18/18/55/599181855.db2.gz KECDTITVZXBIQV-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736125466 599181858 /nfs/dbraw/zinc/18/18/58/599181858.db2.gz KECDTITVZXBIQV-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3ccccc3)n2C)s1 ZINC000736679093 599184645 /nfs/dbraw/zinc/18/46/45/599184645.db2.gz KHPHAIYGWJXDIY-UHFFFAOYSA-N -1 3 378.461 3.748 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3ccccc3)n2C)s1 ZINC000736679093 599184647 /nfs/dbraw/zinc/18/46/47/599184647.db2.gz KHPHAIYGWJXDIY-UHFFFAOYSA-N -1 3 378.461 3.748 20 0 GHADHM COCc1noc(-c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)n1 ZINC000737022635 599192365 /nfs/dbraw/zinc/19/23/65/599192365.db2.gz YUFAHVKDFBLCAD-UHFFFAOYSA-N -1 3 384.783 3.509 20 0 GHADHM COCc1noc(-c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)n1 ZINC000737022635 599192368 /nfs/dbraw/zinc/19/23/68/599192368.db2.gz YUFAHVKDFBLCAD-UHFFFAOYSA-N -1 3 384.783 3.509 20 0 GHADHM CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000819965481 599194371 /nfs/dbraw/zinc/19/43/71/599194371.db2.gz IHUXSUYEJCONSG-HNNXBMFYSA-N -1 3 396.520 3.988 20 0 GHADHM CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000819965481 599194374 /nfs/dbraw/zinc/19/43/74/599194374.db2.gz IHUXSUYEJCONSG-HNNXBMFYSA-N -1 3 396.520 3.988 20 0 GHADHM C[C@H]1C[C@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736239676 599198864 /nfs/dbraw/zinc/19/88/64/599198864.db2.gz TUEUVMZTKWWOLQ-AAEUAGOBSA-N -1 3 383.839 3.698 20 0 GHADHM C[C@H]1C[C@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736239676 599198867 /nfs/dbraw/zinc/19/88/67/599198867.db2.gz TUEUVMZTKWWOLQ-AAEUAGOBSA-N -1 3 383.839 3.698 20 0 GHADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)cc21 ZINC000737263053 599200958 /nfs/dbraw/zinc/20/09/58/599200958.db2.gz JRCNXFXKZXLXME-UHFFFAOYSA-N -1 3 394.410 3.835 20 0 GHADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)cc21 ZINC000737263053 599200959 /nfs/dbraw/zinc/20/09/59/599200959.db2.gz JRCNXFXKZXLXME-UHFFFAOYSA-N -1 3 394.410 3.835 20 0 GHADHM COCCN(C(=O)C=C(C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736990115 599204489 /nfs/dbraw/zinc/20/44/89/599204489.db2.gz ZODUCMYZORHYLQ-BUHFOSPRSA-N -1 3 397.866 3.603 20 0 GHADHM COCCN(C(=O)C=C(C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736990115 599204491 /nfs/dbraw/zinc/20/44/91/599204491.db2.gz ZODUCMYZORHYLQ-BUHFOSPRSA-N -1 3 397.866 3.603 20 0 GHADHM Fc1ccc2[nH]cc(CCNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)c2c1 ZINC000737656361 599206650 /nfs/dbraw/zinc/20/66/50/599206650.db2.gz LCJWJYUAEQGBGC-UHFFFAOYSA-N -1 3 391.332 3.556 20 0 GHADHM Fc1ccc2[nH]cc(CCNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)c2c1 ZINC000737656361 599206651 /nfs/dbraw/zinc/20/66/51/599206651.db2.gz LCJWJYUAEQGBGC-UHFFFAOYSA-N -1 3 391.332 3.556 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737216234 599209127 /nfs/dbraw/zinc/20/91/27/599209127.db2.gz PUFDBZXEBMDLGQ-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737216234 599209129 /nfs/dbraw/zinc/20/91/29/599209129.db2.gz PUFDBZXEBMDLGQ-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Oc2ccccn2)c1 ZINC000822935253 599221588 /nfs/dbraw/zinc/22/15/88/599221588.db2.gz IQTNLUJUJHYAAI-QXMHVHEDSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(Oc2ccccn2)c1 ZINC000822935253 599221590 /nfs/dbraw/zinc/22/15/90/599221590.db2.gz IQTNLUJUJHYAAI-QXMHVHEDSA-N -1 3 384.399 3.706 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736236591 599226519 /nfs/dbraw/zinc/22/65/19/599226519.db2.gz SEHURNZCJQPPDX-YHBQJITHSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736236591 599226522 /nfs/dbraw/zinc/22/65/22/599226522.db2.gz SEHURNZCJQPPDX-YHBQJITHSA-N -1 3 395.894 3.966 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000822233619 599230959 /nfs/dbraw/zinc/23/09/59/599230959.db2.gz SBUQOALZCKKPIW-BLLLJJGKSA-N -1 3 382.493 3.938 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000822233619 599230960 /nfs/dbraw/zinc/23/09/60/599230960.db2.gz SBUQOALZCKKPIW-BLLLJJGKSA-N -1 3 382.493 3.938 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000820401993 607262718 /nfs/dbraw/zinc/26/27/18/607262718.db2.gz BALVFPOWMNPEHT-ZETCQYMHSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000820401993 607262719 /nfs/dbraw/zinc/26/27/19/607262719.db2.gz BALVFPOWMNPEHT-ZETCQYMHSA-N -1 3 397.653 3.713 20 0 GHADHM Fc1cccc([C@H]2CCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822787095 599229083 /nfs/dbraw/zinc/22/90/83/599229083.db2.gz VGVMFHVDXXYGCC-OAHLLOKOSA-N -1 3 388.859 3.803 20 0 GHADHM Fc1cccc([C@H]2CCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822787095 599229085 /nfs/dbraw/zinc/22/90/85/599229085.db2.gz VGVMFHVDXXYGCC-OAHLLOKOSA-N -1 3 388.859 3.803 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373868 599235246 /nfs/dbraw/zinc/23/52/46/599235246.db2.gz KKUYBOBBUVRRAV-JTQLQIEISA-N -1 3 387.241 3.512 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373868 599235248 /nfs/dbraw/zinc/23/52/48/599235248.db2.gz KKUYBOBBUVRRAV-JTQLQIEISA-N -1 3 387.241 3.512 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379605 599243099 /nfs/dbraw/zinc/24/30/99/599243099.db2.gz FAPMGPVPVGMARM-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379605 599243101 /nfs/dbraw/zinc/24/31/01/599243101.db2.gz FAPMGPVPVGMARM-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736481143 599247714 /nfs/dbraw/zinc/24/77/14/599247714.db2.gz UTCBPWQYELPXEU-QXMHVHEDSA-N -1 3 398.470 3.867 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc2ccccc12 ZINC000736481143 599247716 /nfs/dbraw/zinc/24/77/16/599247716.db2.gz UTCBPWQYELPXEU-QXMHVHEDSA-N -1 3 398.470 3.867 20 0 GHADHM Cc1c(NC(=O)N2CCC(c3ccccc3F)CC2)cccc1-c1nnn[n-]1 ZINC000822084797 607280557 /nfs/dbraw/zinc/28/05/57/607280557.db2.gz POSJJMZGGPUMRJ-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1c(NC(=O)N2CCC(c3ccccc3F)CC2)cccc1-c1nn[n-]n1 ZINC000822084797 607280558 /nfs/dbraw/zinc/28/05/58/607280558.db2.gz POSJJMZGGPUMRJ-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM FC(F)(F)[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000737627866 599256619 /nfs/dbraw/zinc/25/66/19/599256619.db2.gz RHGXRDNRQJELSU-VIFPVBQESA-N -1 3 382.777 3.847 20 0 GHADHM FC(F)(F)[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000737627866 599256621 /nfs/dbraw/zinc/25/66/21/599256621.db2.gz RHGXRDNRQJELSU-VIFPVBQESA-N -1 3 382.777 3.847 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821127362 599257872 /nfs/dbraw/zinc/25/78/72/599257872.db2.gz GJZAARQWBLLKMW-AWEZNQCLSA-N -1 3 380.452 3.847 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821127362 599257874 /nfs/dbraw/zinc/25/78/74/599257874.db2.gz GJZAARQWBLLKMW-AWEZNQCLSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822083543 607292212 /nfs/dbraw/zinc/29/22/12/607292212.db2.gz CAQRJHDLBCEJNR-LJQANCHMSA-N -1 3 391.479 3.610 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822083543 607292213 /nfs/dbraw/zinc/29/22/13/607292213.db2.gz CAQRJHDLBCEJNR-LJQANCHMSA-N -1 3 391.479 3.610 20 0 GHADHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822207143 607295983 /nfs/dbraw/zinc/29/59/83/607295983.db2.gz MILBAPWPERUYMU-UHFFFAOYSA-N -1 3 398.492 3.782 20 0 GHADHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822207143 607295984 /nfs/dbraw/zinc/29/59/84/607295984.db2.gz MILBAPWPERUYMU-UHFFFAOYSA-N -1 3 398.492 3.782 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822552969 607296118 /nfs/dbraw/zinc/29/61/18/607296118.db2.gz GTQSMFSVZMHCGX-UHFFFAOYSA-N -1 3 378.367 3.530 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822552969 607296119 /nfs/dbraw/zinc/29/61/19/607296119.db2.gz GTQSMFSVZMHCGX-UHFFFAOYSA-N -1 3 378.367 3.530 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736686605 599259886 /nfs/dbraw/zinc/25/98/86/599259886.db2.gz POBDHUUTMGLSGI-KRWDZBQOSA-N -1 3 397.504 3.619 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736686605 599259887 /nfs/dbraw/zinc/25/98/87/599259887.db2.gz POBDHUUTMGLSGI-KRWDZBQOSA-N -1 3 397.504 3.619 20 0 GHADHM O=C(Nc1cccc(Nc2ccccc2)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823367303 607301114 /nfs/dbraw/zinc/30/11/14/607301114.db2.gz ISPSPXHQNNSGSR-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM O=C(Nc1cccc(Nc2ccccc2)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823367303 607301115 /nfs/dbraw/zinc/30/11/15/607301115.db2.gz ISPSPXHQNNSGSR-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM CN(Cc1ccc(F)cc1F)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736820284 599264673 /nfs/dbraw/zinc/26/46/73/599264673.db2.gz UOHWHHUJDQEQBJ-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CN(Cc1ccc(F)cc1F)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736820284 599264674 /nfs/dbraw/zinc/26/46/74/599264674.db2.gz UOHWHHUJDQEQBJ-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000820898140 607317053 /nfs/dbraw/zinc/31/70/53/607317053.db2.gz VBSBZSDBYACSSP-UHFFFAOYSA-N -1 3 393.373 3.695 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000820898140 607317054 /nfs/dbraw/zinc/31/70/54/607317054.db2.gz VBSBZSDBYACSSP-UHFFFAOYSA-N -1 3 393.373 3.695 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821763222 599275551 /nfs/dbraw/zinc/27/55/51/599275551.db2.gz WDIVNBZVQPASRQ-SJKOYZFVSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821763222 599275553 /nfs/dbraw/zinc/27/55/53/599275553.db2.gz WDIVNBZVQPASRQ-SJKOYZFVSA-N -1 3 396.426 3.629 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820690525 599275966 /nfs/dbraw/zinc/27/59/66/599275966.db2.gz NFYJMAHGYIQDOO-WDEREUQCSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820690525 599275969 /nfs/dbraw/zinc/27/59/69/599275969.db2.gz NFYJMAHGYIQDOO-WDEREUQCSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820741569 599276081 /nfs/dbraw/zinc/27/60/81/599276081.db2.gz DKCOICXUSHBMTE-CJNGLKHVSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820741569 599276084 /nfs/dbraw/zinc/27/60/84/599276084.db2.gz DKCOICXUSHBMTE-CJNGLKHVSA-N -1 3 380.427 3.663 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823299087 599278167 /nfs/dbraw/zinc/27/81/67/599278167.db2.gz HBPOZBBFFBPLPA-DMDPSCGWSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823299087 599278169 /nfs/dbraw/zinc/27/81/69/599278169.db2.gz HBPOZBBFFBPLPA-DMDPSCGWSA-N -1 3 392.410 3.558 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000821148205 599283738 /nfs/dbraw/zinc/28/37/38/599283738.db2.gz MLSDQZHFAYTDLU-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000821148205 599283741 /nfs/dbraw/zinc/28/37/41/599283741.db2.gz MLSDQZHFAYTDLU-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380682 599283813 /nfs/dbraw/zinc/28/38/13/599283813.db2.gz YMKFMEYSNMERIF-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380682 599283816 /nfs/dbraw/zinc/28/38/16/599283816.db2.gz YMKFMEYSNMERIF-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000821608705 599284156 /nfs/dbraw/zinc/28/41/56/599284156.db2.gz QYDAFILPFDPCTC-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000821608705 599284157 /nfs/dbraw/zinc/28/41/57/599284157.db2.gz QYDAFILPFDPCTC-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CCN(C(=O)[C@H]1CSc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502101 599292167 /nfs/dbraw/zinc/29/21/67/599292167.db2.gz JZLWNPRFEGTLSX-GUYCJALGSA-N -1 3 379.489 3.666 20 0 GHADHM CCN(C(=O)[C@H]1CSc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502101 599292168 /nfs/dbraw/zinc/29/21/68/599292168.db2.gz JZLWNPRFEGTLSX-GUYCJALGSA-N -1 3 379.489 3.666 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000822198007 607328598 /nfs/dbraw/zinc/32/85/98/607328598.db2.gz YRBADXCFFDPIOV-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(F)cc3-c3nnn[n-]3)cc2)n1 ZINC000822197746 607328781 /nfs/dbraw/zinc/32/87/81/607328781.db2.gz NOWNEXGXQRIKFU-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(F)cc3-c3nn[n-]n3)cc2)n1 ZINC000822197746 607328782 /nfs/dbraw/zinc/32/87/82/607328782.db2.gz NOWNEXGXQRIKFU-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736279769 598230989 /nfs/dbraw/zinc/23/09/89/598230989.db2.gz ZVZOQZPQQUUBHH-CQSZACIVSA-N -1 3 379.489 3.641 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736279769 598230991 /nfs/dbraw/zinc/23/09/91/598230991.db2.gz ZVZOQZPQQUUBHH-CQSZACIVSA-N -1 3 379.489 3.641 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737796972 598232121 /nfs/dbraw/zinc/23/21/21/598232121.db2.gz HUXDTWWJJURFLO-YPNIWSFNSA-N -1 3 377.423 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737796972 598232122 /nfs/dbraw/zinc/23/21/22/598232122.db2.gz HUXDTWWJJURFLO-YPNIWSFNSA-N -1 3 377.423 3.677 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(COCC(F)(F)F)cc1 ZINC000737643969 598236348 /nfs/dbraw/zinc/23/63/48/598236348.db2.gz IMQMHEDJVIVZHR-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM CCOc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000736624848 598236580 /nfs/dbraw/zinc/23/65/80/598236580.db2.gz IPOZELKCFFYQQW-UHFFFAOYSA-N -1 3 393.369 3.642 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738110451 598264448 /nfs/dbraw/zinc/26/44/48/598264448.db2.gz CDHVDSWJQIBNQK-UHFFFAOYSA-N -1 3 378.823 3.995 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738110451 598264449 /nfs/dbraw/zinc/26/44/49/598264449.db2.gz CDHVDSWJQIBNQK-UHFFFAOYSA-N -1 3 378.823 3.995 20 0 GHADHM CN(Cc1ccoc1)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736829428 598267343 /nfs/dbraw/zinc/26/73/43/598267343.db2.gz CTGWNFNMVAVRSS-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM CN(Cc1ccoc1)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736829428 598267346 /nfs/dbraw/zinc/26/73/46/598267346.db2.gz CTGWNFNMVAVRSS-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC1CCSCC1 ZINC000738182271 598268474 /nfs/dbraw/zinc/26/84/74/598268474.db2.gz AXWSCTWIXYAKHL-UHFFFAOYSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC1CCSCC1 ZINC000738182271 598268475 /nfs/dbraw/zinc/26/84/75/598268475.db2.gz AXWSCTWIXYAKHL-UHFFFAOYSA-N -1 3 396.476 3.676 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000737357231 598271558 /nfs/dbraw/zinc/27/15/58/598271558.db2.gz WWCZAAQLSBCWBJ-CQSZACIVSA-N -1 3 382.493 3.615 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000737357231 598271560 /nfs/dbraw/zinc/27/15/60/598271560.db2.gz WWCZAAQLSBCWBJ-CQSZACIVSA-N -1 3 382.493 3.615 20 0 GHADHM FC(F)(F)c1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nnn[n-]1 ZINC000737632878 598275896 /nfs/dbraw/zinc/27/58/96/598275896.db2.gz NYUOATIVLLGTLS-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nn[n-]n1 ZINC000737632878 598275897 /nfs/dbraw/zinc/27/58/97/598275897.db2.gz NYUOATIVLLGTLS-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736425245 598284814 /nfs/dbraw/zinc/28/48/14/598284814.db2.gz UJJXZSXZZHGAON-LSDHHAIUSA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736425245 598284816 /nfs/dbraw/zinc/28/48/16/598284816.db2.gz UJJXZSXZZHGAON-LSDHHAIUSA-N -1 3 394.479 3.764 20 0 GHADHM CC(C(=O)OCc1ccccc1-c1nnn[n-]1)(c1ccccc1)c1ccccc1 ZINC000735571307 598288692 /nfs/dbraw/zinc/28/86/92/598288692.db2.gz BMKCVELEMDMWCN-UHFFFAOYSA-N -1 3 384.439 3.916 20 0 GHADHM CC(C(=O)OCc1ccccc1-c1nn[n-]n1)(c1ccccc1)c1ccccc1 ZINC000735571307 598288693 /nfs/dbraw/zinc/28/86/93/598288693.db2.gz BMKCVELEMDMWCN-UHFFFAOYSA-N -1 3 384.439 3.916 20 0 GHADHM O=C(CSc1cccc(Cl)c1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737946117 598294921 /nfs/dbraw/zinc/29/49/21/598294921.db2.gz AUULDVYUZZJHCO-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(Cl)c1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737946117 598294923 /nfs/dbraw/zinc/29/49/23/598294923.db2.gz AUULDVYUZZJHCO-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737463944 598295889 /nfs/dbraw/zinc/29/58/89/598295889.db2.gz AULGCOYWDUATKW-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737463944 598295890 /nfs/dbraw/zinc/29/58/90/598295890.db2.gz AULGCOYWDUATKW-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM C[C@@H](CNC(=O)c1sccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000736026642 598296645 /nfs/dbraw/zinc/29/66/45/598296645.db2.gz WDYLQNYOOUGWPL-QMMMGPOBSA-N -1 3 382.276 3.769 20 0 GHADHM C[C@@H](CNC(=O)c1sccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000736026642 598296647 /nfs/dbraw/zinc/29/66/47/598296647.db2.gz WDYLQNYOOUGWPL-QMMMGPOBSA-N -1 3 382.276 3.769 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736330403 598297417 /nfs/dbraw/zinc/29/74/17/598297417.db2.gz XKZHICMRXMITSY-BFFYNSAMSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736330403 598297419 /nfs/dbraw/zinc/29/74/19/598297419.db2.gz XKZHICMRXMITSY-BFFYNSAMSA-N -1 3 391.475 3.716 20 0 GHADHM C[C@@H](O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736147277 598301797 /nfs/dbraw/zinc/30/17/97/598301797.db2.gz LWXRWCJLFKMYTR-OAHLLOKOSA-N -1 3 399.454 3.517 20 0 GHADHM C[C@@H](O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736147277 598301799 /nfs/dbraw/zinc/30/17/99/598301799.db2.gz LWXRWCJLFKMYTR-OAHLLOKOSA-N -1 3 399.454 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735627083 598315455 /nfs/dbraw/zinc/31/54/55/598315455.db2.gz MMGAYYLUMAEPRO-UHFFFAOYSA-N -1 3 375.498 3.606 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735627083 598315456 /nfs/dbraw/zinc/31/54/56/598315456.db2.gz MMGAYYLUMAEPRO-UHFFFAOYSA-N -1 3 375.498 3.606 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(OC(C)C)cc2)n1 ZINC000736602258 598315569 /nfs/dbraw/zinc/31/55/69/598315569.db2.gz GGRSKFQTZMTDNM-UHFFFAOYSA-N -1 3 399.476 3.518 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(OC(C)C)cc2)n1 ZINC000736602258 598315571 /nfs/dbraw/zinc/31/55/71/598315571.db2.gz GGRSKFQTZMTDNM-UHFFFAOYSA-N -1 3 399.476 3.518 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737209735 598319063 /nfs/dbraw/zinc/31/90/63/598319063.db2.gz UPRPDSXTPMNEGJ-LBPRGKRZSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737209735 598319066 /nfs/dbraw/zinc/31/90/66/598319066.db2.gz UPRPDSXTPMNEGJ-LBPRGKRZSA-N -1 3 394.410 3.621 20 0 GHADHM CCCCC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736441293 598325582 /nfs/dbraw/zinc/32/55/82/598325582.db2.gz OZDPOXDEVJVTPD-AWEZNQCLSA-N -1 3 383.452 3.737 20 0 GHADHM CCCCC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736441293 598325583 /nfs/dbraw/zinc/32/55/83/598325583.db2.gz OZDPOXDEVJVTPD-AWEZNQCLSA-N -1 3 383.452 3.737 20 0 GHADHM CC(C)c1nc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cs1 ZINC000735938918 598326764 /nfs/dbraw/zinc/32/67/64/598326764.db2.gz IGTIYLLLYXCECL-UHFFFAOYSA-N -1 3 394.460 3.887 20 0 GHADHM CC(C)c1nc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)cs1 ZINC000735938918 598326765 /nfs/dbraw/zinc/32/67/65/598326765.db2.gz IGTIYLLLYXCECL-UHFFFAOYSA-N -1 3 394.460 3.887 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247142 598326840 /nfs/dbraw/zinc/32/68/40/598326840.db2.gz AIPMRJIFERMDRH-YOEHRIQHSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247142 598326841 /nfs/dbraw/zinc/32/68/41/598326841.db2.gz AIPMRJIFERMDRH-YOEHRIQHSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736112092 598370609 /nfs/dbraw/zinc/37/06/09/598370609.db2.gz POLMWLKQBQCMTF-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736112092 598370611 /nfs/dbraw/zinc/37/06/11/598370611.db2.gz POLMWLKQBQCMTF-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000736480801 598392305 /nfs/dbraw/zinc/39/23/05/598392305.db2.gz NKPIZAZUSKSNQG-FQEVSTJZSA-N -1 3 390.491 3.784 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000736480801 598392307 /nfs/dbraw/zinc/39/23/07/598392307.db2.gz NKPIZAZUSKSNQG-FQEVSTJZSA-N -1 3 390.491 3.784 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736162617 598413839 /nfs/dbraw/zinc/41/38/39/598413839.db2.gz DCUGBDNOXRQFBD-SECBINFHSA-N -1 3 379.203 3.546 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736162617 598413840 /nfs/dbraw/zinc/41/38/40/598413840.db2.gz DCUGBDNOXRQFBD-SECBINFHSA-N -1 3 379.203 3.546 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccccc1-c1nnn[n-]1 ZINC000737860499 598420443 /nfs/dbraw/zinc/42/04/43/598420443.db2.gz RWDMRUSVKSUJOZ-UHFFFAOYSA-N -1 3 384.852 3.701 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccccc1-c1nn[n-]n1 ZINC000737860499 598420444 /nfs/dbraw/zinc/42/04/44/598420444.db2.gz RWDMRUSVKSUJOZ-UHFFFAOYSA-N -1 3 384.852 3.701 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736182971 598422679 /nfs/dbraw/zinc/42/26/79/598422679.db2.gz IIMSUQNJJYYVSO-OLZOCXBDSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736182971 598422682 /nfs/dbraw/zinc/42/26/82/598422682.db2.gz IIMSUQNJJYYVSO-OLZOCXBDSA-N -1 3 393.472 3.726 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000736016845 598427967 /nfs/dbraw/zinc/42/79/67/598427967.db2.gz DUVCYQSFCMXYGP-MRXNPFEDSA-N -1 3 378.480 3.590 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000736016845 598427969 /nfs/dbraw/zinc/42/79/69/598427969.db2.gz DUVCYQSFCMXYGP-MRXNPFEDSA-N -1 3 378.480 3.590 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737087853 598444959 /nfs/dbraw/zinc/44/49/59/598444959.db2.gz JMWXSDHXUJWJTQ-UHFFFAOYSA-N -1 3 379.464 3.925 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737087853 598444961 /nfs/dbraw/zinc/44/49/61/598444961.db2.gz JMWXSDHXUJWJTQ-UHFFFAOYSA-N -1 3 379.464 3.925 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n(C(C)(C)C)n1 ZINC000735647838 598453115 /nfs/dbraw/zinc/45/31/15/598453115.db2.gz DVHDPGAMQMGYFZ-UHFFFAOYSA-N -1 3 395.511 3.687 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n(C(C)(C)C)n1 ZINC000735647838 598453117 /nfs/dbraw/zinc/45/31/17/598453117.db2.gz DVHDPGAMQMGYFZ-UHFFFAOYSA-N -1 3 395.511 3.687 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826471787 607358099 /nfs/dbraw/zinc/35/80/99/607358099.db2.gz MVPPOVOCHVTPQZ-SFHVURJKSA-N -1 3 375.476 3.742 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826471787 607358101 /nfs/dbraw/zinc/35/81/01/607358101.db2.gz MVPPOVOCHVTPQZ-SFHVURJKSA-N -1 3 375.476 3.742 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737421948 598477217 /nfs/dbraw/zinc/47/72/17/598477217.db2.gz NTTYIJMOEHANMO-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737421948 598477218 /nfs/dbraw/zinc/47/72/18/598477218.db2.gz NTTYIJMOEHANMO-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162040 598486277 /nfs/dbraw/zinc/48/62/77/598486277.db2.gz FPBCHWLDLORKDB-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162040 598486278 /nfs/dbraw/zinc/48/62/78/598486278.db2.gz FPBCHWLDLORKDB-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155057 598488936 /nfs/dbraw/zinc/48/89/36/598488936.db2.gz GLBHTLWGPYLUSF-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155057 598488938 /nfs/dbraw/zinc/48/89/38/598488938.db2.gz GLBHTLWGPYLUSF-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000735659588 598493161 /nfs/dbraw/zinc/49/31/61/598493161.db2.gz DJAOJLNFHVQYBH-OAHLLOKOSA-N -1 3 378.480 3.872 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000735659588 598493162 /nfs/dbraw/zinc/49/31/62/598493162.db2.gz DJAOJLNFHVQYBH-OAHLLOKOSA-N -1 3 378.480 3.872 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1sc(CC(C)C)nc1C ZINC000736480234 598498348 /nfs/dbraw/zinc/49/83/48/598498348.db2.gz MKHNDZLJDQRMGQ-UHFFFAOYSA-N -1 3 398.536 3.883 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1sc(CC(C)C)nc1C ZINC000736480234 598498349 /nfs/dbraw/zinc/49/83/49/598498349.db2.gz MKHNDZLJDQRMGQ-UHFFFAOYSA-N -1 3 398.536 3.883 20 0 GHADHM Clc1ccc(CN2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)s1 ZINC000737575528 598506788 /nfs/dbraw/zinc/50/67/88/598506788.db2.gz LYLUULQLORXOHV-UHFFFAOYSA-N -1 3 395.319 3.557 20 0 GHADHM Clc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)s1 ZINC000737575528 598506789 /nfs/dbraw/zinc/50/67/89/598506789.db2.gz LYLUULQLORXOHV-UHFFFAOYSA-N -1 3 395.319 3.557 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000736674303 598516947 /nfs/dbraw/zinc/51/69/47/598516947.db2.gz BOOYULNMUODUFH-UHFFFAOYSA-N -1 3 393.472 3.970 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000736674303 598516949 /nfs/dbraw/zinc/51/69/49/598516949.db2.gz BOOYULNMUODUFH-UHFFFAOYSA-N -1 3 393.472 3.970 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2C)c1-c1nnn[n-]1 ZINC000736675774 598517643 /nfs/dbraw/zinc/51/76/43/598517643.db2.gz MTGZYNGPAVEXEL-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2C)c1-c1nn[n-]n1 ZINC000736675774 598517646 /nfs/dbraw/zinc/51/76/46/598517646.db2.gz MTGZYNGPAVEXEL-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736155768 598537512 /nfs/dbraw/zinc/53/75/12/598537512.db2.gz QKTIOBIVGCJBSI-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736155768 598537514 /nfs/dbraw/zinc/53/75/14/598537514.db2.gz QKTIOBIVGCJBSI-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM O=C(OCc1ccc(F)cc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738232088 598539797 /nfs/dbraw/zinc/53/97/97/598539797.db2.gz PAQAVRKAAHVQDF-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM CC(C)[C@@H](C)N(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000735700380 598540014 /nfs/dbraw/zinc/54/00/14/598540014.db2.gz FYFRWNXZVDWQIK-CQSZACIVSA-N -1 3 395.463 3.688 20 0 GHADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236539 598541652 /nfs/dbraw/zinc/54/16/52/598541652.db2.gz RYRSDYUETKLOME-XHDPSFHLSA-N -1 3 383.839 3.694 20 0 GHADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236539 598541654 /nfs/dbraw/zinc/54/16/54/598541654.db2.gz RYRSDYUETKLOME-XHDPSFHLSA-N -1 3 383.839 3.694 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736460441 598541846 /nfs/dbraw/zinc/54/18/46/598541846.db2.gz LBSZPKVXRMERGJ-HNNXBMFYSA-N -1 3 395.463 3.589 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736460441 598541847 /nfs/dbraw/zinc/54/18/47/598541847.db2.gz LBSZPKVXRMERGJ-HNNXBMFYSA-N -1 3 395.463 3.589 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1ccco1 ZINC000737280784 598542197 /nfs/dbraw/zinc/54/21/97/598542197.db2.gz SQRKCWMZOVZVQQ-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1ccco1 ZINC000737280784 598542199 /nfs/dbraw/zinc/54/21/99/598542199.db2.gz SQRKCWMZOVZVQQ-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM O=C1Nc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738317307 598546812 /nfs/dbraw/zinc/54/68/12/598546812.db2.gz BVIHTODQNQXXBA-DEDYPNTBSA-N -1 3 395.422 3.938 20 0 GHADHM O=C1Nc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738317307 598546814 /nfs/dbraw/zinc/54/68/14/598546814.db2.gz BVIHTODQNQXXBA-DEDYPNTBSA-N -1 3 395.422 3.938 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000738192804 598550959 /nfs/dbraw/zinc/55/09/59/598550959.db2.gz WRMMDROEJNQJED-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000738192804 598550960 /nfs/dbraw/zinc/55/09/60/598550960.db2.gz WRMMDROEJNQJED-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cc1noc(C)c1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737537351 598553528 /nfs/dbraw/zinc/55/35/28/598553528.db2.gz OCFRLTOTXHNLRN-UHFFFAOYSA-N -1 3 376.420 3.663 20 0 GHADHM Cc1noc(C)c1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737537351 598553530 /nfs/dbraw/zinc/55/35/30/598553530.db2.gz OCFRLTOTXHNLRN-UHFFFAOYSA-N -1 3 376.420 3.663 20 0 GHADHM Cc1nc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000737473634 598555461 /nfs/dbraw/zinc/55/54/61/598555461.db2.gz FIHQBYCBEDXYRV-UHFFFAOYSA-N -1 3 392.444 3.605 20 0 GHADHM Cc1nc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000737473634 598555463 /nfs/dbraw/zinc/55/54/63/598555463.db2.gz FIHQBYCBEDXYRV-UHFFFAOYSA-N -1 3 392.444 3.605 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115658 598561708 /nfs/dbraw/zinc/56/17/08/598561708.db2.gz YYMRVNLXPDMXQM-HUUCEWRRSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)C(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115658 598561710 /nfs/dbraw/zinc/56/17/10/598561710.db2.gz YYMRVNLXPDMXQM-HUUCEWRRSA-N -1 3 378.480 3.593 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735904132 598569058 /nfs/dbraw/zinc/56/90/58/598569058.db2.gz LOMFZWZSKJUQOW-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735904132 598569060 /nfs/dbraw/zinc/56/90/60/598569060.db2.gz LOMFZWZSKJUQOW-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc(OC)c1 ZINC000737045786 598577657 /nfs/dbraw/zinc/57/76/57/598577657.db2.gz NCLVQBOXFMHJMT-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc(OC)c1 ZINC000737045786 598577658 /nfs/dbraw/zinc/57/76/58/598577658.db2.gz NCLVQBOXFMHJMT-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736190017 598612206 /nfs/dbraw/zinc/61/22/06/598612206.db2.gz VWVWCYBIHQQQQC-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736190017 598612208 /nfs/dbraw/zinc/61/22/08/598612208.db2.gz VWVWCYBIHQQQQC-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM CC(C)c1ocnc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735954186 598626265 /nfs/dbraw/zinc/62/62/65/598626265.db2.gz UQZYKQRSNBSSHW-UHFFFAOYSA-N -1 3 375.388 3.864 20 0 GHADHM CC(C)c1ocnc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735954186 598626267 /nfs/dbraw/zinc/62/62/67/598626267.db2.gz UQZYKQRSNBSSHW-UHFFFAOYSA-N -1 3 375.388 3.864 20 0 GHADHM CC(C)CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735798402 598644289 /nfs/dbraw/zinc/64/42/89/598644289.db2.gz WIOSBQLSOKAFHY-AWEZNQCLSA-N -1 3 380.452 3.609 20 0 GHADHM CC(C)CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735798402 598644291 /nfs/dbraw/zinc/64/42/91/598644291.db2.gz WIOSBQLSOKAFHY-AWEZNQCLSA-N -1 3 380.452 3.609 20 0 GHADHM S=C(Nc1ccccc1Oc1ccncc1)Nc1ccccc1-c1nnn[n-]1 ZINC000738408127 598644370 /nfs/dbraw/zinc/64/43/70/598644370.db2.gz LCAFUJOEHPOWDF-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM S=C(Nc1ccccc1Oc1ccncc1)Nc1ccccc1-c1nn[n-]n1 ZINC000738408127 598644372 /nfs/dbraw/zinc/64/43/72/598644372.db2.gz LCAFUJOEHPOWDF-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737143322 598647055 /nfs/dbraw/zinc/64/70/55/598647055.db2.gz UGNHWJVKLWAINV-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737143322 598647056 /nfs/dbraw/zinc/64/70/56/598647056.db2.gz UGNHWJVKLWAINV-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737073055 598647397 /nfs/dbraw/zinc/64/73/97/598647397.db2.gz YOKICGDVMPDRQD-UHFFFAOYSA-N -1 3 397.504 3.904 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737073055 598647399 /nfs/dbraw/zinc/64/73/99/598647399.db2.gz YOKICGDVMPDRQD-UHFFFAOYSA-N -1 3 397.504 3.904 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(F)c(F)c(F)c1 ZINC000736625606 598648303 /nfs/dbraw/zinc/64/83/03/598648303.db2.gz CYEDPPQHXVQERI-UHFFFAOYSA-N -1 3 398.728 3.555 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(F)c(F)c(F)c1 ZINC000736625606 598648304 /nfs/dbraw/zinc/64/83/04/598648304.db2.gz CYEDPPQHXVQERI-UHFFFAOYSA-N -1 3 398.728 3.555 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cc2ccccc2o1 ZINC000737840666 598649047 /nfs/dbraw/zinc/64/90/47/598649047.db2.gz BZEKKODNQZXQGS-UHFFFAOYSA-N -1 3 392.415 3.905 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1cc2ccccc2o1 ZINC000737840666 598649049 /nfs/dbraw/zinc/64/90/49/598649049.db2.gz BZEKKODNQZXQGS-UHFFFAOYSA-N -1 3 392.415 3.905 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000736110075 598649463 /nfs/dbraw/zinc/64/94/63/598649463.db2.gz DXKYMDIRDOQEQL-GFCCVEGCSA-N -1 3 379.445 3.582 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000736110075 598649465 /nfs/dbraw/zinc/64/94/65/598649465.db2.gz DXKYMDIRDOQEQL-GFCCVEGCSA-N -1 3 379.445 3.582 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737319144 598650385 /nfs/dbraw/zinc/65/03/85/598650385.db2.gz CWFYAGSXMUXUQJ-MRXNPFEDSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737319144 598650387 /nfs/dbraw/zinc/65/03/87/598650387.db2.gz CWFYAGSXMUXUQJ-MRXNPFEDSA-N -1 3 379.464 3.602 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c2ccccc21 ZINC000736289585 598652460 /nfs/dbraw/zinc/65/24/60/598652460.db2.gz DUNBDIOMGDGXLU-CQSZACIVSA-N -1 3 398.426 3.818 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c2ccccc21 ZINC000736289585 598652462 /nfs/dbraw/zinc/65/24/62/598652462.db2.gz DUNBDIOMGDGXLU-CQSZACIVSA-N -1 3 398.426 3.818 20 0 GHADHM Cc1csc(N(C)C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737451988 598653697 /nfs/dbraw/zinc/65/36/97/598653697.db2.gz IHWCQJGRNPWSDC-UHFFFAOYSA-N -1 3 392.444 3.701 20 0 GHADHM Cc1csc(N(C)C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737451988 598653698 /nfs/dbraw/zinc/65/36/98/598653698.db2.gz IHWCQJGRNPWSDC-UHFFFAOYSA-N -1 3 392.444 3.701 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(CC1CCCCC1)C1CC1 ZINC000737833652 598653955 /nfs/dbraw/zinc/65/39/55/598653955.db2.gz ZIGNWPTULNZXKX-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(CC1CCCCC1)C1CC1 ZINC000737833652 598653956 /nfs/dbraw/zinc/65/39/56/598653956.db2.gz ZIGNWPTULNZXKX-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-n3cccc3)c(F)c2)s1 ZINC000736679503 598654591 /nfs/dbraw/zinc/65/45/91/598654591.db2.gz WAGJELNYZOADQO-UHFFFAOYSA-N -1 3 382.424 3.673 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-n3cccc3)c(F)c2)s1 ZINC000736679503 598654593 /nfs/dbraw/zinc/65/45/93/598654593.db2.gz WAGJELNYZOADQO-UHFFFAOYSA-N -1 3 382.424 3.673 20 0 GHADHM C[C@@H](CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735986623 598655891 /nfs/dbraw/zinc/65/58/91/598655891.db2.gz OSSMTAFINALTFX-KRWDZBQOSA-N -1 3 393.491 3.726 20 0 GHADHM C[C@@H](CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735986623 598655892 /nfs/dbraw/zinc/65/58/92/598655892.db2.gz OSSMTAFINALTFX-KRWDZBQOSA-N -1 3 393.491 3.726 20 0 GHADHM CC(C)OCc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735904852 598656320 /nfs/dbraw/zinc/65/63/20/598656320.db2.gz UECALIQLCXRLIK-UHFFFAOYSA-N -1 3 383.477 3.523 20 0 GHADHM CC(C)OCc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735904852 598656322 /nfs/dbraw/zinc/65/63/22/598656322.db2.gz UECALIQLCXRLIK-UHFFFAOYSA-N -1 3 383.477 3.523 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735915951 598657834 /nfs/dbraw/zinc/65/78/34/598657834.db2.gz VZTCALQSVGUCPA-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735915951 598657836 /nfs/dbraw/zinc/65/78/36/598657836.db2.gz VZTCALQSVGUCPA-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252574 598665120 /nfs/dbraw/zinc/66/51/20/598665120.db2.gz JITLWXQCMUEZOE-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252574 598665122 /nfs/dbraw/zinc/66/51/22/598665122.db2.gz JITLWXQCMUEZOE-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737943258 598670362 /nfs/dbraw/zinc/67/03/62/598670362.db2.gz RGKKVWAQKYIGTR-OAHLLOKOSA-N -1 3 399.907 3.628 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737943258 598670364 /nfs/dbraw/zinc/67/03/64/598670364.db2.gz RGKKVWAQKYIGTR-OAHLLOKOSA-N -1 3 399.907 3.628 20 0 GHADHM Fc1ccc(CSCc2csc(-c3ccccn3)n2)c(-c2nnn[n-]2)c1 ZINC000737651936 598697264 /nfs/dbraw/zinc/69/72/64/598697264.db2.gz ZIJMCZNZILZIIQ-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM Fc1ccc(CSCc2csc(-c3ccccn3)n2)c(-c2nn[n-]n2)c1 ZINC000737651936 598697265 /nfs/dbraw/zinc/69/72/65/598697265.db2.gz ZIJMCZNZILZIIQ-UHFFFAOYSA-N -1 3 384.465 3.958 20 0 GHADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000737356488 598697823 /nfs/dbraw/zinc/69/78/23/598697823.db2.gz HCJXNDWLLUOFSP-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000737356488 598697825 /nfs/dbraw/zinc/69/78/25/598697825.db2.gz HCJXNDWLLUOFSP-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736497550 598701919 /nfs/dbraw/zinc/70/19/19/598701919.db2.gz SODJIPCDLNVVEP-UHFFFAOYSA-N -1 3 396.422 3.665 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736497550 598701921 /nfs/dbraw/zinc/70/19/21/598701921.db2.gz SODJIPCDLNVVEP-UHFFFAOYSA-N -1 3 396.422 3.665 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000737416608 598711019 /nfs/dbraw/zinc/71/10/19/598711019.db2.gz DFOJNIXTFQSELK-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000737416608 598711021 /nfs/dbraw/zinc/71/10/21/598711021.db2.gz DFOJNIXTFQSELK-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000737090298 598717031 /nfs/dbraw/zinc/71/70/31/598717031.db2.gz MDKQXXRUYFGGHM-UHFFFAOYSA-N -1 3 386.843 3.501 20 0 GHADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000737090298 598717032 /nfs/dbraw/zinc/71/70/32/598717032.db2.gz MDKQXXRUYFGGHM-UHFFFAOYSA-N -1 3 386.843 3.501 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000738269614 598722498 /nfs/dbraw/zinc/72/24/98/598722498.db2.gz POTOWHXCUQWOET-KRWDZBQOSA-N -1 3 393.497 3.778 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000738269614 598722500 /nfs/dbraw/zinc/72/25/00/598722500.db2.gz POTOWHXCUQWOET-KRWDZBQOSA-N -1 3 393.497 3.778 20 0 GHADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736148706 598726019 /nfs/dbraw/zinc/72/60/19/598726019.db2.gz HUAYGVPWYGAKLX-AWEZNQCLSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736148706 598726020 /nfs/dbraw/zinc/72/60/20/598726020.db2.gz HUAYGVPWYGAKLX-AWEZNQCLSA-N -1 3 384.411 3.859 20 0 GHADHM O=C(OCCC1CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738220464 598735894 /nfs/dbraw/zinc/73/58/94/598735894.db2.gz IDOCHLUUDRFTTB-UHFFFAOYSA-N -1 3 379.420 3.791 20 0 GHADHM O=C(OCCC1CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738220464 598735895 /nfs/dbraw/zinc/73/58/95/598735895.db2.gz IDOCHLUUDRFTTB-UHFFFAOYSA-N -1 3 379.420 3.791 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCc2ccccc2C1 ZINC000737840977 598740577 /nfs/dbraw/zinc/74/05/77/598740577.db2.gz HGZKCRJLZAQMRK-FQEVSTJZSA-N -1 3 392.459 3.517 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCc2ccccc2C1 ZINC000737840977 598740578 /nfs/dbraw/zinc/74/05/78/598740578.db2.gz HGZKCRJLZAQMRK-FQEVSTJZSA-N -1 3 392.459 3.517 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000735659758 598740969 /nfs/dbraw/zinc/74/09/69/598740969.db2.gz FBFSPXMWQXYTTE-AWEZNQCLSA-N -1 3 378.480 3.557 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000735659758 598740971 /nfs/dbraw/zinc/74/09/71/598740971.db2.gz FBFSPXMWQXYTTE-AWEZNQCLSA-N -1 3 378.480 3.557 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735659762 598741259 /nfs/dbraw/zinc/74/12/59/598741259.db2.gz FBFSPXMWQXYTTE-CQSZACIVSA-N -1 3 378.480 3.557 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735659762 598741260 /nfs/dbraw/zinc/74/12/60/598741260.db2.gz FBFSPXMWQXYTTE-CQSZACIVSA-N -1 3 378.480 3.557 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737821030 598742159 /nfs/dbraw/zinc/74/21/59/598742159.db2.gz USZFEJHXMVVUGU-GFCCVEGCSA-N -1 3 399.401 3.602 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737821030 598742161 /nfs/dbraw/zinc/74/21/61/598742161.db2.gz USZFEJHXMVVUGU-GFCCVEGCSA-N -1 3 399.401 3.602 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2cccc(F)c21 ZINC000735831776 598746665 /nfs/dbraw/zinc/74/66/65/598746665.db2.gz VMLVITXKKUNZRY-UHFFFAOYSA-N -1 3 377.427 3.612 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2cccc(F)c21 ZINC000735831776 598746667 /nfs/dbraw/zinc/74/66/67/598746667.db2.gz VMLVITXKKUNZRY-UHFFFAOYSA-N -1 3 377.427 3.612 20 0 GHADHM CC(C)CC(CC(C)C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735760347 598748366 /nfs/dbraw/zinc/74/83/66/598748366.db2.gz AUVSBEROBNUODX-UHFFFAOYSA-N -1 3 375.542 3.677 20 0 GHADHM CC(C)CC(CC(C)C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735760347 598748367 /nfs/dbraw/zinc/74/83/67/598748367.db2.gz AUVSBEROBNUODX-UHFFFAOYSA-N -1 3 375.542 3.677 20 0 GHADHM C[C@H](Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)N1CCCCCC1 ZINC000736164803 598753912 /nfs/dbraw/zinc/75/39/12/598753912.db2.gz PDLIVXMCSGGARB-INIZCTEOSA-N -1 3 391.475 3.704 20 0 GHADHM C[C@H](Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)N1CCCCCC1 ZINC000736164803 598753913 /nfs/dbraw/zinc/75/39/13/598753913.db2.gz PDLIVXMCSGGARB-INIZCTEOSA-N -1 3 391.475 3.704 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000820173611 607366792 /nfs/dbraw/zinc/36/67/92/607366792.db2.gz JQBXBDYPLUGMBC-UHFFFAOYSA-N -1 3 389.872 3.511 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000820173611 607366795 /nfs/dbraw/zinc/36/67/95/607366795.db2.gz JQBXBDYPLUGMBC-UHFFFAOYSA-N -1 3 389.872 3.511 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000737291737 598782434 /nfs/dbraw/zinc/78/24/34/598782434.db2.gz OGLUSAHVMPLNBO-MRXNPFEDSA-N -1 3 391.460 3.543 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000737291737 598782435 /nfs/dbraw/zinc/78/24/35/598782435.db2.gz OGLUSAHVMPLNBO-MRXNPFEDSA-N -1 3 391.460 3.543 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281826 598789136 /nfs/dbraw/zinc/78/91/36/598789136.db2.gz XSAZIACPQCCIEQ-FZMZJTMJSA-N -1 3 379.489 3.722 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281826 598789137 /nfs/dbraw/zinc/78/91/37/598789137.db2.gz XSAZIACPQCCIEQ-FZMZJTMJSA-N -1 3 379.489 3.722 20 0 GHADHM Cc1ccc2c(Cl)c(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000600201165 598789541 /nfs/dbraw/zinc/78/95/41/598789541.db2.gz AHQUNSGQLYYOED-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM Cc1ccc2c(Cl)c(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000600201165 598789543 /nfs/dbraw/zinc/78/95/43/598789543.db2.gz AHQUNSGQLYYOED-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM Fc1ccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000737651346 598790435 /nfs/dbraw/zinc/79/04/35/598790435.db2.gz RRYKZYCDDCGBBD-MRXNPFEDSA-N -1 3 386.431 3.679 20 0 GHADHM Fc1ccc([C@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000737651346 598790436 /nfs/dbraw/zinc/79/04/36/598790436.db2.gz RRYKZYCDDCGBBD-MRXNPFEDSA-N -1 3 386.431 3.679 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCCC4)cc2n1 ZINC000737380816 598790805 /nfs/dbraw/zinc/79/08/05/598790805.db2.gz RWANJUHZPXXEFA-UHFFFAOYSA-N -1 3 394.460 3.899 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCCC4)cc2n1 ZINC000737380816 598790807 /nfs/dbraw/zinc/79/08/07/598790807.db2.gz RWANJUHZPXXEFA-UHFFFAOYSA-N -1 3 394.460 3.899 20 0 GHADHM COc1ccc(Br)c(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737065794 598792938 /nfs/dbraw/zinc/79/29/38/598792938.db2.gz OMBHKOAJFVFJDI-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(Br)c(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737065794 598792939 /nfs/dbraw/zinc/79/29/39/598792939.db2.gz OMBHKOAJFVFJDI-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H](C)C(C)C ZINC000737279751 598805827 /nfs/dbraw/zinc/80/58/27/598805827.db2.gz MDRRYGHMMBSKCU-OAHLLOKOSA-N -1 3 379.464 3.985 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H](C)C(C)C ZINC000737279751 598805828 /nfs/dbraw/zinc/80/58/28/598805828.db2.gz MDRRYGHMMBSKCU-OAHLLOKOSA-N -1 3 379.464 3.985 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c(C)n1C ZINC000737238783 598821890 /nfs/dbraw/zinc/82/18/90/598821890.db2.gz TWFHVECHABDULA-UHFFFAOYSA-N -1 3 388.431 3.867 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)n1C ZINC000737238783 598821892 /nfs/dbraw/zinc/82/18/92/598821892.db2.gz TWFHVECHABDULA-UHFFFAOYSA-N -1 3 388.431 3.867 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737120862 598821973 /nfs/dbraw/zinc/82/19/73/598821973.db2.gz IECPPQSHRNKALG-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737120862 598821974 /nfs/dbraw/zinc/82/19/74/598821974.db2.gz IECPPQSHRNKALG-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1C(F)(F)F ZINC000822208590 599297899 /nfs/dbraw/zinc/29/78/99/599297899.db2.gz YWCINPVPTLLROD-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1C(F)(F)F ZINC000822208590 599297901 /nfs/dbraw/zinc/29/79/01/599297901.db2.gz YWCINPVPTLLROD-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM C[C@H]1SCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@H]1C ZINC000736305577 599301448 /nfs/dbraw/zinc/30/14/48/599301448.db2.gz XSVDVSCNKKXINH-UONOGXRCSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1SCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736305577 599301451 /nfs/dbraw/zinc/30/14/51/599301451.db2.gz XSVDVSCNKKXINH-UONOGXRCSA-N -1 3 395.488 3.625 20 0 GHADHM CN(C(=O)c1ccc(COc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742079 599305040 /nfs/dbraw/zinc/30/50/40/599305040.db2.gz LKLCZNKHMXHANX-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CN(C(=O)c1ccc(COc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742079 599305043 /nfs/dbraw/zinc/30/50/43/599305043.db2.gz LKLCZNKHMXHANX-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM Clc1cc(N2CCc3cccc(Br)c3C2)ccc1-c1nnn[n-]1 ZINC000737563832 599305908 /nfs/dbraw/zinc/30/59/08/599305908.db2.gz GUNWONQOKHGUIZ-UHFFFAOYSA-N -1 3 390.672 3.845 20 0 GHADHM Clc1cc(N2CCc3cccc(Br)c3C2)ccc1-c1nn[n-]n1 ZINC000737563832 599305911 /nfs/dbraw/zinc/30/59/11/599305911.db2.gz GUNWONQOKHGUIZ-UHFFFAOYSA-N -1 3 390.672 3.845 20 0 GHADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738383132 599306711 /nfs/dbraw/zinc/30/67/11/599306711.db2.gz OVARFVHDJPNLTN-CYBMUJFWSA-N -1 3 386.189 3.597 20 0 GHADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738383132 599306714 /nfs/dbraw/zinc/30/67/14/599306714.db2.gz OVARFVHDJPNLTN-CYBMUJFWSA-N -1 3 386.189 3.597 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821482801 599345404 /nfs/dbraw/zinc/34/54/04/599345404.db2.gz VEBWNPAIZJCYSQ-KBPBESRZSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821482801 599345405 /nfs/dbraw/zinc/34/54/05/599345405.db2.gz VEBWNPAIZJCYSQ-KBPBESRZSA-N -1 3 381.505 3.787 20 0 GHADHM C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460726 599356585 /nfs/dbraw/zinc/35/65/85/599356585.db2.gz APEGILFOAGICEP-GFCCVEGCSA-N -1 3 388.460 3.811 20 0 GHADHM C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460726 599356588 /nfs/dbraw/zinc/35/65/88/599356588.db2.gz APEGILFOAGICEP-GFCCVEGCSA-N -1 3 388.460 3.811 20 0 GHADHM CCN(C(=O)Cc1cnc2ccccc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504150 599359155 /nfs/dbraw/zinc/35/91/55/599359155.db2.gz AJVORQUWCULZKX-HNNXBMFYSA-N -1 3 386.459 3.567 20 0 GHADHM CCN(C(=O)Cc1cnc2ccccc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504150 599359157 /nfs/dbraw/zinc/35/91/57/599359157.db2.gz AJVORQUWCULZKX-HNNXBMFYSA-N -1 3 386.459 3.567 20 0 GHADHM Brc1cccnc1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735374926 599369376 /nfs/dbraw/zinc/36/93/76/599369376.db2.gz GHFBEYRBJHLJLE-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1cccnc1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735374926 599369379 /nfs/dbraw/zinc/36/93/79/599369379.db2.gz GHFBEYRBJHLJLE-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735984360 599379371 /nfs/dbraw/zinc/37/93/71/599379371.db2.gz CXJPYYCLIOLMFH-CQSZACIVSA-N -1 3 397.479 3.983 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735984360 599379374 /nfs/dbraw/zinc/37/93/74/599379374.db2.gz CXJPYYCLIOLMFH-CQSZACIVSA-N -1 3 397.479 3.983 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735984353 599379526 /nfs/dbraw/zinc/37/95/26/599379526.db2.gz CSOGIFJFFDQBQB-AWEZNQCLSA-N -1 3 397.479 3.983 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735984353 599379529 /nfs/dbraw/zinc/37/95/29/599379529.db2.gz CSOGIFJFFDQBQB-AWEZNQCLSA-N -1 3 397.479 3.983 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000737944191 599380019 /nfs/dbraw/zinc/38/00/19/599380019.db2.gz WTASDBXILLBZGA-UHFFFAOYSA-N -1 3 397.479 3.504 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccccc2F)CC1 ZINC000737944191 599380022 /nfs/dbraw/zinc/38/00/22/599380022.db2.gz WTASDBXILLBZGA-UHFFFAOYSA-N -1 3 397.479 3.504 20 0 GHADHM CCSCc1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461173 599380663 /nfs/dbraw/zinc/38/06/63/599380663.db2.gz LDGUDUFLAFULRG-ZDUSSCGKSA-N -1 3 382.493 3.559 20 0 GHADHM CCSCc1cccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461173 599380665 /nfs/dbraw/zinc/38/06/65/599380665.db2.gz LDGUDUFLAFULRG-ZDUSSCGKSA-N -1 3 382.493 3.559 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820225806 599424271 /nfs/dbraw/zinc/42/42/71/599424271.db2.gz POGOTQGUXULZBX-AWEZNQCLSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820225806 599424276 /nfs/dbraw/zinc/42/42/76/599424276.db2.gz POGOTQGUXULZBX-AWEZNQCLSA-N -1 3 396.470 3.561 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149319 599455771 /nfs/dbraw/zinc/45/57/71/599455771.db2.gz VILRKZLBYZODIX-RSDPBLMXSA-N -1 3 387.487 3.680 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149319 599455773 /nfs/dbraw/zinc/45/57/73/599455773.db2.gz VILRKZLBYZODIX-RSDPBLMXSA-N -1 3 387.487 3.680 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC1CCC(c2ccccc2)CC1 ZINC000823235162 599462514 /nfs/dbraw/zinc/46/25/14/599462514.db2.gz SDUZPJLRMCLZNQ-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC1CCC(c2ccccc2)CC1 ZINC000823235162 599462515 /nfs/dbraw/zinc/46/25/15/599462515.db2.gz SDUZPJLRMCLZNQ-UHFFFAOYSA-N -1 3 394.454 3.531 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822229587 599464614 /nfs/dbraw/zinc/46/46/14/599464614.db2.gz XQOXTZVMFNCQPJ-CQSZACIVSA-N -1 3 382.443 3.525 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822229587 599464616 /nfs/dbraw/zinc/46/46/16/599464616.db2.gz XQOXTZVMFNCQPJ-CQSZACIVSA-N -1 3 382.443 3.525 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000737294425 599465972 /nfs/dbraw/zinc/46/59/72/599465972.db2.gz NQZKHODAHXTVHU-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000737294425 599465974 /nfs/dbraw/zinc/46/59/74/599465974.db2.gz NQZKHODAHXTVHU-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(CCc1cc(Cl)cs1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737853705 599466840 /nfs/dbraw/zinc/46/68/40/599466840.db2.gz SWBDIZBQWNZZRE-UHFFFAOYSA-N -1 3 387.896 3.705 20 0 GHADHM O=C(CCc1cc(Cl)cs1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737853705 599466841 /nfs/dbraw/zinc/46/68/41/599466841.db2.gz SWBDIZBQWNZZRE-UHFFFAOYSA-N -1 3 387.896 3.705 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000735953811 599472018 /nfs/dbraw/zinc/47/20/18/599472018.db2.gz MBHWDWOETLURNA-OAHLLOKOSA-N -1 3 388.479 3.576 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000735953811 599472020 /nfs/dbraw/zinc/47/20/20/599472020.db2.gz MBHWDWOETLURNA-OAHLLOKOSA-N -1 3 388.479 3.576 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340879 599472866 /nfs/dbraw/zinc/47/28/66/599472866.db2.gz NHRMTKLPLORTGA-NWDGAFQWSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340879 599472868 /nfs/dbraw/zinc/47/28/68/599472868.db2.gz NHRMTKLPLORTGA-NWDGAFQWSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342069 599473364 /nfs/dbraw/zinc/47/33/64/599473364.db2.gz STEDFKAUOPIVOF-HNNXBMFYSA-N -1 3 386.459 3.923 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342069 599473367 /nfs/dbraw/zinc/47/33/67/599473367.db2.gz STEDFKAUOPIVOF-HNNXBMFYSA-N -1 3 386.459 3.923 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820339591 599475942 /nfs/dbraw/zinc/47/59/42/599475942.db2.gz DMKUIMOAQGIHNV-OLZOCXBDSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820339591 599475945 /nfs/dbraw/zinc/47/59/45/599475945.db2.gz DMKUIMOAQGIHNV-OLZOCXBDSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353344 599478709 /nfs/dbraw/zinc/47/87/09/599478709.db2.gz YWECQWAWKWIRPX-SJLPKXTDSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353344 599478712 /nfs/dbraw/zinc/47/87/12/599478712.db2.gz YWECQWAWKWIRPX-SJLPKXTDSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820343068 599480605 /nfs/dbraw/zinc/48/06/05/599480605.db2.gz ZQNQSWBGYKHJFM-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820343068 599480608 /nfs/dbraw/zinc/48/06/08/599480608.db2.gz ZQNQSWBGYKHJFM-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM CC(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820092533 599482158 /nfs/dbraw/zinc/48/21/58/599482158.db2.gz NLPJHVQBEPQIHV-MRXNPFEDSA-N -1 3 378.480 3.796 20 0 GHADHM CC(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820092533 599482160 /nfs/dbraw/zinc/48/21/60/599482160.db2.gz NLPJHVQBEPQIHV-MRXNPFEDSA-N -1 3 378.480 3.796 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109280 599484238 /nfs/dbraw/zinc/48/42/38/599484238.db2.gz FPOKPUKZPVWCHT-CQSZACIVSA-N -1 3 382.443 3.689 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109280 599484240 /nfs/dbraw/zinc/48/42/40/599484240.db2.gz FPOKPUKZPVWCHT-CQSZACIVSA-N -1 3 382.443 3.689 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820232152 607381431 /nfs/dbraw/zinc/38/14/31/607381431.db2.gz FDDNRKIGLVPTAL-MGPLVRAMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820232152 607381433 /nfs/dbraw/zinc/38/14/33/607381433.db2.gz FDDNRKIGLVPTAL-MGPLVRAMSA-N -1 3 395.360 3.949 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000820116570 599493834 /nfs/dbraw/zinc/49/38/34/599493834.db2.gz KFFUQRKMTWQVRW-OFNKIYASSA-N -1 3 387.487 3.508 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000820116570 599493837 /nfs/dbraw/zinc/49/38/37/599493837.db2.gz KFFUQRKMTWQVRW-OFNKIYASSA-N -1 3 387.487 3.508 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396852 599499828 /nfs/dbraw/zinc/49/98/28/599499828.db2.gz ITOLKHCZGIEMIX-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396852 599499831 /nfs/dbraw/zinc/49/98/31/599499831.db2.gz ITOLKHCZGIEMIX-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737177965 599502024 /nfs/dbraw/zinc/50/20/24/599502024.db2.gz WPTPTVYEXHTZFA-CYBMUJFWSA-N -1 3 398.492 3.840 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737177965 599502026 /nfs/dbraw/zinc/50/20/26/599502026.db2.gz WPTPTVYEXHTZFA-CYBMUJFWSA-N -1 3 398.492 3.840 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)C2)n1 ZINC000822409365 599508990 /nfs/dbraw/zinc/50/89/90/599508990.db2.gz RFACENUYSKGJQO-CQSZACIVSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)C2)n1 ZINC000822409365 599508993 /nfs/dbraw/zinc/50/89/93/599508993.db2.gz RFACENUYSKGJQO-CQSZACIVSA-N -1 3 391.504 3.872 20 0 GHADHM C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322684 599511476 /nfs/dbraw/zinc/51/14/76/599511476.db2.gz UDHWZCFHWSDIHC-CYBMUJFWSA-N -1 3 381.867 3.819 20 0 GHADHM C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322684 599511478 /nfs/dbraw/zinc/51/14/78/599511478.db2.gz UDHWZCFHWSDIHC-CYBMUJFWSA-N -1 3 381.867 3.819 20 0 GHADHM C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820396602 599512146 /nfs/dbraw/zinc/51/21/46/599512146.db2.gz HDCUXWIURNECSZ-CYBMUJFWSA-N -1 3 386.459 3.718 20 0 GHADHM C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820396602 599512150 /nfs/dbraw/zinc/51/21/50/599512150.db2.gz HDCUXWIURNECSZ-CYBMUJFWSA-N -1 3 386.459 3.718 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820329690 599516782 /nfs/dbraw/zinc/51/67/82/599516782.db2.gz YOMOBEDHEIOMJU-NSHDSACASA-N -1 3 390.274 3.984 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820329690 599516784 /nfs/dbraw/zinc/51/67/84/599516784.db2.gz YOMOBEDHEIOMJU-NSHDSACASA-N -1 3 390.274 3.984 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000735820499 599519456 /nfs/dbraw/zinc/51/94/56/599519456.db2.gz UCHDFIWWBIVHLB-UHFFFAOYSA-N -1 3 383.418 3.917 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820234699 607382174 /nfs/dbraw/zinc/38/21/74/607382174.db2.gz PDSQUAKZZXTNLA-BZNIZROVSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820234699 607382177 /nfs/dbraw/zinc/38/21/77/607382177.db2.gz PDSQUAKZZXTNLA-BZNIZROVSA-N -1 3 377.370 3.810 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821853789 599524194 /nfs/dbraw/zinc/52/41/94/599524194.db2.gz AAYVIPMGSCDVKA-XKOZXHHJSA-N -1 3 399.454 3.919 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821853789 599524196 /nfs/dbraw/zinc/52/41/96/599524196.db2.gz AAYVIPMGSCDVKA-XKOZXHHJSA-N -1 3 399.454 3.919 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234000 599526866 /nfs/dbraw/zinc/52/68/66/599526866.db2.gz ZMWSMORHIJFVDJ-BEVDRBHNSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234000 599526869 /nfs/dbraw/zinc/52/68/69/599526869.db2.gz ZMWSMORHIJFVDJ-BEVDRBHNSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1cc(Oc2cncc(Cl)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737279292 599528335 /nfs/dbraw/zinc/52/83/35/599528335.db2.gz IUXRBCXUWHDPGE-UHFFFAOYSA-N -1 3 377.795 3.817 20 0 GHADHM Cc1cc(Oc2cncc(Cl)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737279292 599528336 /nfs/dbraw/zinc/52/83/36/599528336.db2.gz IUXRBCXUWHDPGE-UHFFFAOYSA-N -1 3 377.795 3.817 20 0 GHADHM CC[C@@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)c1nccs1 ZINC000736369888 599530332 /nfs/dbraw/zinc/53/03/32/599530332.db2.gz OIYYGJNYWJLRCY-GFCCVEGCSA-N -1 3 390.476 3.996 20 0 GHADHM CC[C@@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)c1nccs1 ZINC000736369888 599530333 /nfs/dbraw/zinc/53/03/33/599530333.db2.gz OIYYGJNYWJLRCY-GFCCVEGCSA-N -1 3 390.476 3.996 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818283 599541153 /nfs/dbraw/zinc/54/11/53/599541153.db2.gz LILLXDMPXNYPHN-HNNXBMFYSA-N -1 3 381.455 3.874 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818283 599541155 /nfs/dbraw/zinc/54/11/55/599541155.db2.gz LILLXDMPXNYPHN-HNNXBMFYSA-N -1 3 381.455 3.874 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1ccsc1 ZINC000735514506 599541258 /nfs/dbraw/zinc/54/12/58/599541258.db2.gz UKBKIQNGGPLLNA-LLVKDONJSA-N -1 3 395.410 3.623 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1ccsc1 ZINC000735514506 599541259 /nfs/dbraw/zinc/54/12/59/599541259.db2.gz UKBKIQNGGPLLNA-LLVKDONJSA-N -1 3 395.410 3.623 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056506 599543899 /nfs/dbraw/zinc/54/38/99/599543899.db2.gz NQQBNHHPHKMKCU-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056506 599543901 /nfs/dbraw/zinc/54/39/01/599543901.db2.gz NQQBNHHPHKMKCU-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM CN(CCc1ccccc1F)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821604954 599547588 /nfs/dbraw/zinc/54/75/88/599547588.db2.gz OQCAWMOUFDOBLY-UHFFFAOYSA-N -1 3 384.365 3.511 20 0 GHADHM CN(CCc1ccccc1F)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821604954 599547589 /nfs/dbraw/zinc/54/75/89/599547589.db2.gz OQCAWMOUFDOBLY-UHFFFAOYSA-N -1 3 384.365 3.511 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC(c1cccs1)c1cccs1 ZINC000737797501 599549210 /nfs/dbraw/zinc/54/92/10/599549210.db2.gz JENCFDLMITUTBY-MDZDMXLPSA-N -1 3 393.497 3.909 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC(c1cccs1)c1cccs1 ZINC000737797501 599549211 /nfs/dbraw/zinc/54/92/11/599549211.db2.gz JENCFDLMITUTBY-MDZDMXLPSA-N -1 3 393.497 3.909 20 0 GHADHM CCS[C@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000821457616 599553315 /nfs/dbraw/zinc/55/33/15/599553315.db2.gz YAVRAPIVOKRGOI-NSHDSACASA-N -1 3 390.463 3.805 20 0 GHADHM CCS[C@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000821457616 599553318 /nfs/dbraw/zinc/55/33/18/599553318.db2.gz YAVRAPIVOKRGOI-NSHDSACASA-N -1 3 390.463 3.805 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)Nc1ccccn1 ZINC000823356904 599556372 /nfs/dbraw/zinc/55/63/72/599556372.db2.gz RAQFOZDYELVCDW-UHFFFAOYSA-N -1 3 391.366 3.837 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)Nc1ccccn1 ZINC000823356904 599556374 /nfs/dbraw/zinc/55/63/74/599556374.db2.gz RAQFOZDYELVCDW-UHFFFAOYSA-N -1 3 391.366 3.837 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332860 599558108 /nfs/dbraw/zinc/55/81/08/599558108.db2.gz WRCGBPWGYHUJOE-KKSFZXQISA-N -1 3 391.475 3.554 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735747695 599566207 /nfs/dbraw/zinc/56/62/07/599566207.db2.gz GFEGLEIDRNKLKM-IBGZPJMESA-N -1 3 376.464 3.871 20 0 GHADHM CCCC[C@@H](COC)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736439803 599569020 /nfs/dbraw/zinc/56/90/20/599569020.db2.gz ZBRHXXCWTHHLTL-IBGZPJMESA-N -1 3 394.479 3.545 20 0 GHADHM Cc1nnc(Nc2ccc(COCc3ccccc3)cc2)c(-c2nnn[n-]2)c1C ZINC000822516105 599588511 /nfs/dbraw/zinc/58/85/11/599588511.db2.gz VBLVYWIPASDVKP-UHFFFAOYSA-N -1 3 387.447 3.734 20 0 GHADHM Cc1nnc(Nc2ccc(COCc3ccccc3)cc2)c(-c2nn[n-]n2)c1C ZINC000822516105 599588513 /nfs/dbraw/zinc/58/85/13/599588513.db2.gz VBLVYWIPASDVKP-UHFFFAOYSA-N -1 3 387.447 3.734 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737329795 599592336 /nfs/dbraw/zinc/59/23/36/599592336.db2.gz LBCLFMQVQOHWDI-RDTXWAMCSA-N -1 3 396.520 3.648 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)OC(C)(C)C ZINC000736140632 599598140 /nfs/dbraw/zinc/59/81/40/599598140.db2.gz YEEDDFOEIRONAL-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)OC(C)(C)C ZINC000736140632 599598142 /nfs/dbraw/zinc/59/81/42/599598142.db2.gz YEEDDFOEIRONAL-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737334815 599614461 /nfs/dbraw/zinc/61/44/61/599614461.db2.gz MOYFHBANVBETPK-AWEZNQCLSA-N -1 3 398.536 3.788 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737334815 599614462 /nfs/dbraw/zinc/61/44/62/599614462.db2.gz MOYFHBANVBETPK-AWEZNQCLSA-N -1 3 398.536 3.788 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822431782 599623871 /nfs/dbraw/zinc/62/38/71/599623871.db2.gz JLRZYKMQRPGEKN-UHFFFAOYSA-N -1 3 399.476 3.525 20 0 GHADHM CCOCCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821378697 599625663 /nfs/dbraw/zinc/62/56/63/599625663.db2.gz SJLHZNFWBQBALX-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM CCOCCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821378697 599625664 /nfs/dbraw/zinc/62/56/64/599625664.db2.gz SJLHZNFWBQBALX-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cccc2[nH]ccc21 ZINC000822954783 599626467 /nfs/dbraw/zinc/62/64/67/599626467.db2.gz CWBZNOJVNACZHD-UHFFFAOYSA-N -1 3 377.404 3.503 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cccc2[nH]ccc21 ZINC000822954783 599626468 /nfs/dbraw/zinc/62/64/68/599626468.db2.gz CWBZNOJVNACZHD-UHFFFAOYSA-N -1 3 377.404 3.503 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000821134592 599628560 /nfs/dbraw/zinc/62/85/60/599628560.db2.gz ZEUXGZJJEWCBAY-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000821134592 599628561 /nfs/dbraw/zinc/62/85/61/599628561.db2.gz ZEUXGZJJEWCBAY-UHFFFAOYSA-N -1 3 385.493 3.905 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000821401322 599630560 /nfs/dbraw/zinc/63/05/60/599630560.db2.gz VXFYNQVBXSEMSC-UNEWFSDZSA-N -1 3 387.484 3.578 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000821401322 599630561 /nfs/dbraw/zinc/63/05/61/599630561.db2.gz VXFYNQVBXSEMSC-UNEWFSDZSA-N -1 3 387.484 3.578 20 0 GHADHM O=C(CCC(F)(F)F)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000822950331 599630696 /nfs/dbraw/zinc/63/06/96/599630696.db2.gz KEUZRQQPIQSKAK-UHFFFAOYSA-N -1 3 393.394 3.975 20 0 GHADHM O=C(CCC(F)(F)F)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000822950331 599630697 /nfs/dbraw/zinc/63/06/97/599630697.db2.gz KEUZRQQPIQSKAK-UHFFFAOYSA-N -1 3 393.394 3.975 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000822351765 599633252 /nfs/dbraw/zinc/63/32/52/599633252.db2.gz QFQZHPLKWDKMSQ-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000822351765 599633253 /nfs/dbraw/zinc/63/32/53/599633253.db2.gz QFQZHPLKWDKMSQ-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1Cl ZINC000823303660 599633427 /nfs/dbraw/zinc/63/34/27/599633427.db2.gz PZDOBGSSPOGRPG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1Cl ZINC000823303660 599633428 /nfs/dbraw/zinc/63/34/28/599633428.db2.gz PZDOBGSSPOGRPG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM c1ccc([C@@H](NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CCC2)cc1 ZINC000823772015 599638202 /nfs/dbraw/zinc/63/82/02/599638202.db2.gz HJKDNHZBSPBITP-LJQANCHMSA-N -1 3 387.447 3.548 20 0 GHADHM Cc1ccccc1-c1cnc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822345626 599651164 /nfs/dbraw/zinc/65/11/64/599651164.db2.gz NFFRPVGDDAWRLA-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1ccccc1-c1cnc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822345626 599651165 /nfs/dbraw/zinc/65/11/65/599651165.db2.gz NFFRPVGDDAWRLA-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820076529 599656603 /nfs/dbraw/zinc/65/66/03/599656603.db2.gz KYHMCMRFLLWKEW-HNNXBMFYSA-N -1 3 395.463 3.698 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820076529 599656604 /nfs/dbraw/zinc/65/66/04/599656604.db2.gz KYHMCMRFLLWKEW-HNNXBMFYSA-N -1 3 395.463 3.698 20 0 GHADHM C[C@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819883964 599665516 /nfs/dbraw/zinc/66/55/16/599665516.db2.gz PHFVITWMBWJJLV-ZDUSSCGKSA-N -1 3 386.839 3.636 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690494 599671987 /nfs/dbraw/zinc/67/19/87/599671987.db2.gz MYXDXVAWTRHULF-YJBOKZPZSA-N -1 3 392.459 3.925 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690494 599671988 /nfs/dbraw/zinc/67/19/88/599671988.db2.gz MYXDXVAWTRHULF-YJBOKZPZSA-N -1 3 392.459 3.925 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349330 599681138 /nfs/dbraw/zinc/68/11/38/599681138.db2.gz HKPPJFVENDQBDS-WMLDXEAASA-N -1 3 380.452 3.848 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349330 599681139 /nfs/dbraw/zinc/68/11/39/599681139.db2.gz HKPPJFVENDQBDS-WMLDXEAASA-N -1 3 380.452 3.848 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096673 599690296 /nfs/dbraw/zinc/69/02/96/599690296.db2.gz FDQXDEANHZHHJU-OAHLLOKOSA-N -1 3 399.499 3.646 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000740006903 599717226 /nfs/dbraw/zinc/71/72/26/599717226.db2.gz YDYQDKABTWYROH-INIZCTEOSA-N -1 3 386.427 3.702 20 0 GHADHM CC[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000736905943 599829548 /nfs/dbraw/zinc/82/95/48/599829548.db2.gz VUUOLZTWANEZIJ-OAQYLSRUSA-N -1 3 395.503 3.662 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826251672 607399819 /nfs/dbraw/zinc/39/98/19/607399819.db2.gz XJDAKIPYTINASN-IBGZPJMESA-N -1 3 389.390 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826251672 607399821 /nfs/dbraw/zinc/39/98/21/607399821.db2.gz XJDAKIPYTINASN-IBGZPJMESA-N -1 3 389.390 3.656 20 0 GHADHM Cc1cc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)oc1C(=O)[O-] ZINC000571097372 599851812 /nfs/dbraw/zinc/85/18/12/599851812.db2.gz UCPCTVJIKHWPDV-CQSZACIVSA-N -1 3 385.395 3.855 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1-c1nnn[n-]1 ZINC000820168791 607402107 /nfs/dbraw/zinc/40/21/07/607402107.db2.gz APMPLXZMTYGRPP-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1-c1nn[n-]n1 ZINC000820168791 607402108 /nfs/dbraw/zinc/40/21/08/607402108.db2.gz APMPLXZMTYGRPP-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM O=C([O-])N1CCC[C@H](NCc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000739925463 599859957 /nfs/dbraw/zinc/85/99/57/599859957.db2.gz AYLVLZMZEMKJER-AWEZNQCLSA-N -1 3 379.254 3.941 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000820187869 607403209 /nfs/dbraw/zinc/40/32/09/607403209.db2.gz XCEWUCCTFYRIES-UHFFFAOYSA-N -1 3 376.342 3.656 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000820187869 607403211 /nfs/dbraw/zinc/40/32/11/607403211.db2.gz XCEWUCCTFYRIES-UHFFFAOYSA-N -1 3 376.342 3.656 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1csc(-c2ccccc2)n1 ZINC000826254704 607412020 /nfs/dbraw/zinc/41/20/20/607412020.db2.gz XJQQWGQQTYKPHY-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1csc(-c2ccccc2)n1 ZINC000826254704 607412021 /nfs/dbraw/zinc/41/20/21/607412021.db2.gz XJQQWGQQTYKPHY-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000736662510 600048170 /nfs/dbraw/zinc/04/81/70/600048170.db2.gz PRSZZGHRIFSQIA-ZHRRBRCNSA-N -1 3 388.467 3.529 20 0 GHADHM Cc1csc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)c2ccccc2)n1 ZINC000826320846 607428800 /nfs/dbraw/zinc/42/88/00/607428800.db2.gz HJGURZJSXLTHAI-UHFFFAOYSA-N -1 3 376.445 3.919 20 0 GHADHM Cc1csc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)c2ccccc2)n1 ZINC000826320846 607428801 /nfs/dbraw/zinc/42/88/01/607428801.db2.gz HJGURZJSXLTHAI-UHFFFAOYSA-N -1 3 376.445 3.919 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000736465855 600221591 /nfs/dbraw/zinc/22/15/91/600221591.db2.gz MBPVJJIQEZNNLA-UHFFFAOYSA-N -1 3 378.488 3.672 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820944827 607431222 /nfs/dbraw/zinc/43/12/22/607431222.db2.gz OZVMINVBYMDONH-QGZVFWFLSA-N -1 3 395.467 3.664 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820944827 607431223 /nfs/dbraw/zinc/43/12/23/607431223.db2.gz OZVMINVBYMDONH-QGZVFWFLSA-N -1 3 395.467 3.664 20 0 GHADHM CN(C(=O)CCOc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817793 607433741 /nfs/dbraw/zinc/43/37/41/607433741.db2.gz PJSCQWKHODAYKM-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CN(C(=O)CCOc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817793 607433743 /nfs/dbraw/zinc/43/37/43/607433743.db2.gz PJSCQWKHODAYKM-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737369891 600283658 /nfs/dbraw/zinc/28/36/58/600283658.db2.gz MBIWEZWEGGTXQS-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737370799 600400232 /nfs/dbraw/zinc/40/02/32/600400232.db2.gz UUFLGUDATXRZOJ-UHFFFAOYSA-N -1 3 387.455 3.552 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cccc(Cl)c1 ZINC000739469259 600432688 /nfs/dbraw/zinc/43/26/88/600432688.db2.gz ZWDNINWVMMYXDE-IBGZPJMESA-N -1 3 395.846 3.903 20 0 GHADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000738715982 600500415 /nfs/dbraw/zinc/50/04/15/600500415.db2.gz ZIWKBADJCFLIFJ-ZDUSSCGKSA-N -1 3 390.480 3.716 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736490658 600522482 /nfs/dbraw/zinc/52/24/82/600522482.db2.gz ANDDVMFUWGLKTP-HZPDHXFCSA-N -1 3 384.476 3.528 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825242076 607454993 /nfs/dbraw/zinc/45/49/93/607454993.db2.gz HTXYYEXQWJFNSE-IBGZPJMESA-N -1 3 390.491 3.566 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825242076 607454994 /nfs/dbraw/zinc/45/49/94/607454994.db2.gz HTXYYEXQWJFNSE-IBGZPJMESA-N -1 3 390.491 3.566 20 0 GHADHM COc1ccc(OCc2nc(CNC3(CC(=O)[O-])CCCCC3)cs2)cc1 ZINC000832444280 601562025 /nfs/dbraw/zinc/56/20/25/601562025.db2.gz LJVFHCPBBLGYAT-UHFFFAOYSA-N -1 3 390.505 3.998 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccnc(-c3nnn[n-]3)c1)[C@H](c1ccccc1)C2 ZINC000826213411 607516202 /nfs/dbraw/zinc/51/62/02/607516202.db2.gz WEYDMHSIFRMBDU-QFIPXVFZSA-N -1 3 398.470 3.570 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccnc(-c3nn[n-]n3)c1)[C@H](c1ccccc1)C2 ZINC000826213411 607516203 /nfs/dbraw/zinc/51/62/03/607516203.db2.gz WEYDMHSIFRMBDU-QFIPXVFZSA-N -1 3 398.470 3.570 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccccc1 ZINC000828277092 601654612 /nfs/dbraw/zinc/65/46/12/601654612.db2.gz IFKIILLRXJECJM-WHSLLNHNSA-N -1 3 398.528 3.956 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000826052628 601655220 /nfs/dbraw/zinc/65/52/20/601655220.db2.gz GZRFALFJPVPUMZ-PXAZEXFGSA-N -1 3 394.443 3.991 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000830609240 601693263 /nfs/dbraw/zinc/69/32/63/601693263.db2.gz ZHPSELQLRASNRQ-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000826283941 607541947 /nfs/dbraw/zinc/54/19/47/607541947.db2.gz FYQQDIMCGSCUFP-KRWDZBQOSA-N -1 3 394.870 3.582 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000826283941 607541949 /nfs/dbraw/zinc/54/19/49/607541949.db2.gz FYQQDIMCGSCUFP-KRWDZBQOSA-N -1 3 394.870 3.582 20 0 GHADHM Fc1cccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2cccc(Cl)c2)c1 ZINC000826376487 607552380 /nfs/dbraw/zinc/55/23/80/607552380.db2.gz GFPASDZEAXRIKJ-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1cccc([C@@H](NCc2ccnc(-c3nn[n-]n3)c2)c2cccc(Cl)c2)c1 ZINC000826376487 607552382 /nfs/dbraw/zinc/55/23/82/607552382.db2.gz GFPASDZEAXRIKJ-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM COc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000826200194 607553378 /nfs/dbraw/zinc/55/33/78/607553378.db2.gz CIQPADWJTYZISB-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000826200194 607553381 /nfs/dbraw/zinc/55/33/81/607553381.db2.gz CIQPADWJTYZISB-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)ccc21 ZINC000740471709 602252870 /nfs/dbraw/zinc/25/28/70/602252870.db2.gz HZDVOOZLFKHTLK-KRWDZBQOSA-N -1 3 397.450 3.717 20 0 GHADHM CN(CCC1CC1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825918213 607565893 /nfs/dbraw/zinc/56/58/93/607565893.db2.gz AXBNIFPHEVYKOQ-UHFFFAOYSA-N -1 3 382.493 3.537 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825028882 607577334 /nfs/dbraw/zinc/57/73/34/607577334.db2.gz LBMMSNWCKNSYGD-MRPLLJTBSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825028882 607577337 /nfs/dbraw/zinc/57/73/37/607577337.db2.gz LBMMSNWCKNSYGD-MRPLLJTBSA-N -1 3 377.448 3.546 20 0 GHADHM COc1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1-c1nnn[n-]1 ZINC000826201772 607580386 /nfs/dbraw/zinc/58/03/86/607580386.db2.gz DHKKJQNEPSSMRU-UHFFFAOYSA-N -1 3 399.863 3.673 20 0 GHADHM COc1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1-c1nn[n-]n1 ZINC000826201772 607580389 /nfs/dbraw/zinc/58/03/89/607580389.db2.gz DHKKJQNEPSSMRU-UHFFFAOYSA-N -1 3 399.863 3.673 20 0 GHADHM CC[C@H](SC)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000825160406 607577802 /nfs/dbraw/zinc/57/78/02/607577802.db2.gz ZTPXQXWNIPSJEL-SFHVURJKSA-N -1 3 399.495 3.676 20 0 GHADHM CC[C@H](SC)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000825160406 607577805 /nfs/dbraw/zinc/57/78/05/607577805.db2.gz ZTPXQXWNIPSJEL-SFHVURJKSA-N -1 3 399.495 3.676 20 0 GHADHM COc1ccc(COC(=O)c2sccc2SC(F)F)cc1-c1nnn[n-]1 ZINC000826206627 607605751 /nfs/dbraw/zinc/60/57/51/607605751.db2.gz FDKALILZVYZVPQ-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM COc1ccc(COC(=O)c2sccc2SC(F)F)cc1-c1nn[n-]n1 ZINC000826206627 607605753 /nfs/dbraw/zinc/60/57/53/607605753.db2.gz FDKALILZVYZVPQ-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])N(C)C)cc1 ZINC000740117203 603142171 /nfs/dbraw/zinc/14/21/71/603142171.db2.gz IEVDNDKEXXUFJM-LJQANCHMSA-N -1 3 384.480 3.529 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000825423377 603367448 /nfs/dbraw/zinc/36/74/48/603367448.db2.gz PMIYYXGNXZDFQT-MRXNPFEDSA-N -1 3 384.480 3.611 20 0 GHADHM O=C([O-])N1CCc2cccc(CNC[C@H](O)c3cccc(C(F)(F)F)c3)c21 ZINC000832087341 603861100 /nfs/dbraw/zinc/86/11/00/603861100.db2.gz QWZIOVIHQDYTHG-INIZCTEOSA-N -1 3 380.366 3.569 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccc(F)cc1)CC(C)C ZINC000826244529 607661994 /nfs/dbraw/zinc/66/19/94/607661994.db2.gz WCRSTSYKLLHWNN-UHFFFAOYSA-N -1 3 381.455 3.655 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccc(F)cc1)CC(C)C ZINC000826244529 607661995 /nfs/dbraw/zinc/66/19/95/607661995.db2.gz WCRSTSYKLLHWNN-UHFFFAOYSA-N -1 3 381.455 3.655 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1ccc(Br)cc1C ZINC000826243287 607670242 /nfs/dbraw/zinc/67/02/42/607670242.db2.gz BRVDNVRXBUSULX-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1ccc(Br)cc1C ZINC000826243287 607670244 /nfs/dbraw/zinc/67/02/44/607670244.db2.gz BRVDNVRXBUSULX-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000443398454 607680544 /nfs/dbraw/zinc/68/05/44/607680544.db2.gz MWBWRRVTGSRKFX-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000443398454 607680546 /nfs/dbraw/zinc/68/05/46/607680546.db2.gz MWBWRRVTGSRKFX-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1ccsc1CCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826316406 607684117 /nfs/dbraw/zinc/68/41/17/607684117.db2.gz MZZQGWUFNKJDCX-UHFFFAOYSA-N -1 3 393.419 3.799 20 0 GHADHM Cc1ccsc1CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826316406 607684119 /nfs/dbraw/zinc/68/41/19/607684119.db2.gz MZZQGWUFNKJDCX-UHFFFAOYSA-N -1 3 393.419 3.799 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(C3CCCC3)no2)ccc1-c1nnn[n-]1 ZINC000826368229 607685904 /nfs/dbraw/zinc/68/59/04/607685904.db2.gz HYNROCGJVQRGFU-UHFFFAOYSA-N -1 3 379.346 3.538 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(C3CCCC3)no2)ccc1-c1nn[n-]n1 ZINC000826368229 607685906 /nfs/dbraw/zinc/68/59/06/607685906.db2.gz HYNROCGJVQRGFU-UHFFFAOYSA-N -1 3 379.346 3.538 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000826246142 607692257 /nfs/dbraw/zinc/69/22/57/607692257.db2.gz SXFSJSCRFZCNDD-QGZVFWFLSA-N -1 3 399.907 3.759 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000826246142 607692258 /nfs/dbraw/zinc/69/22/58/607692258.db2.gz SXFSJSCRFZCNDD-QGZVFWFLSA-N -1 3 399.907 3.759 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830608977 604492537 /nfs/dbraw/zinc/49/25/37/604492537.db2.gz NZRPBQDDFHFJHY-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc(C(F)(F)F)cs1 ZINC000825132573 607697684 /nfs/dbraw/zinc/69/76/84/607697684.db2.gz BCANHDHKHHEYOO-NSHDSACASA-N -1 3 396.398 3.532 20 0 GHADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc(C(F)(F)F)cs1 ZINC000825132573 607697685 /nfs/dbraw/zinc/69/76/85/607697685.db2.gz BCANHDHKHHEYOO-NSHDSACASA-N -1 3 396.398 3.532 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC[C@@H]1c1ccccc1 ZINC000825202390 607697876 /nfs/dbraw/zinc/69/78/76/607697876.db2.gz KBPJRHXIUYFVEG-JXFKEZNVSA-N -1 3 375.476 3.831 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC[C@@H]1c1ccccc1 ZINC000825202390 607697877 /nfs/dbraw/zinc/69/78/77/607697877.db2.gz KBPJRHXIUYFVEG-JXFKEZNVSA-N -1 3 375.476 3.831 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C)s1 ZINC000826323520 607713771 /nfs/dbraw/zinc/71/37/71/607713771.db2.gz HNNFBZSRHLIRBN-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323520 607713773 /nfs/dbraw/zinc/71/37/73/607713773.db2.gz HNNFBZSRHLIRBN-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM C[C@]1(NCc2nc(-c3cccc(Br)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833568677 604815061 /nfs/dbraw/zinc/81/50/61/604815061.db2.gz HETIHMROUTTZAG-GUYCJALGSA-N -1 3 394.269 3.622 20 0 GHADHM CN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000827805603 604860106 /nfs/dbraw/zinc/86/01/06/604860106.db2.gz BDDBWFSQIWZCAD-INIZCTEOSA-N -1 3 386.427 3.654 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824803345 607726241 /nfs/dbraw/zinc/72/62/41/607726241.db2.gz UCTUAPRDBNTTED-KRWDZBQOSA-N -1 3 397.523 3.843 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824803345 607726242 /nfs/dbraw/zinc/72/62/42/607726242.db2.gz UCTUAPRDBNTTED-KRWDZBQOSA-N -1 3 397.523 3.843 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824801309 607726693 /nfs/dbraw/zinc/72/66/93/607726693.db2.gz DAWWVXCIDIGTIO-HNNXBMFYSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824801309 607726696 /nfs/dbraw/zinc/72/66/96/607726696.db2.gz DAWWVXCIDIGTIO-HNNXBMFYSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000827717752 604994467 /nfs/dbraw/zinc/99/44/67/604994467.db2.gz LQNCQADXCKOLOG-VLIAUNLRSA-N -1 3 393.418 3.950 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824394882 607732789 /nfs/dbraw/zinc/73/27/89/607732789.db2.gz ZOHXCPFLWCVOLN-RNCFNFMXSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824394882 607732790 /nfs/dbraw/zinc/73/27/90/607732790.db2.gz ZOHXCPFLWCVOLN-RNCFNFMXSA-N -1 3 383.399 3.871 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000825067445 607734903 /nfs/dbraw/zinc/73/49/03/607734903.db2.gz JZXWTIDBLXZVFW-HNNXBMFYSA-N -1 3 397.454 3.663 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000825067445 607734904 /nfs/dbraw/zinc/73/49/04/607734904.db2.gz JZXWTIDBLXZVFW-HNNXBMFYSA-N -1 3 397.454 3.663 20 0 GHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000825501044 605117737 /nfs/dbraw/zinc/11/77/37/605117737.db2.gz AZTOMZYXEGQUFV-CABCVRRESA-N -1 3 383.448 3.823 20 0 GHADHM COc1cccc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1OC ZINC000833735281 605201896 /nfs/dbraw/zinc/20/18/96/605201896.db2.gz IVLASQSPCNUDEU-INIZCTEOSA-N -1 3 394.265 3.724 20 0 GHADHM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825290687 607743304 /nfs/dbraw/zinc/74/33/04/607743304.db2.gz FIUFSOMJSLYQIG-UHFFFAOYSA-N -1 3 393.373 3.678 20 0 GHADHM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825290687 607743305 /nfs/dbraw/zinc/74/33/05/607743305.db2.gz FIUFSOMJSLYQIG-UHFFFAOYSA-N -1 3 393.373 3.678 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccnc2ccccc21 ZINC000826460172 607769342 /nfs/dbraw/zinc/76/93/42/607769342.db2.gz PXAAXJXJENCLQQ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccnc2ccccc21 ZINC000826460172 607769343 /nfs/dbraw/zinc/76/93/43/607769343.db2.gz PXAAXJXJENCLQQ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000821389369 606052809 /nfs/dbraw/zinc/05/28/09/606052809.db2.gz KKWSJYVTIPSBCK-UHFFFAOYSA-N -1 3 391.431 3.593 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000821389369 606052814 /nfs/dbraw/zinc/05/28/14/606052814.db2.gz KKWSJYVTIPSBCK-UHFFFAOYSA-N -1 3 391.431 3.593 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820938884 606126248 /nfs/dbraw/zinc/12/62/48/606126248.db2.gz ODVJXJDAFUOHQV-KRWDZBQOSA-N -1 3 395.463 3.758 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820938884 606126249 /nfs/dbraw/zinc/12/62/49/606126249.db2.gz ODVJXJDAFUOHQV-KRWDZBQOSA-N -1 3 395.463 3.758 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000823109096 606129148 /nfs/dbraw/zinc/12/91/48/606129148.db2.gz XWKFFUDHRQKRDO-OAHLLOKOSA-N -1 3 396.756 3.909 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000823109096 606129149 /nfs/dbraw/zinc/12/91/49/606129149.db2.gz XWKFFUDHRQKRDO-OAHLLOKOSA-N -1 3 396.756 3.909 20 0 GHADHM C[C@@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820716628 606167613 /nfs/dbraw/zinc/16/76/13/606167613.db2.gz KANMUWVDPRCEIZ-PXAZEXFGSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820716628 606167614 /nfs/dbraw/zinc/16/76/14/606167614.db2.gz KANMUWVDPRCEIZ-PXAZEXFGSA-N -1 3 382.468 3.786 20 0 GHADHM O=C(CSCCc1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823061169 606180250 /nfs/dbraw/zinc/18/02/50/606180250.db2.gz YMOXTSRALZAPCL-UHFFFAOYSA-N -1 3 391.859 3.574 20 0 GHADHM O=C(CSCCc1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823061169 606180252 /nfs/dbraw/zinc/18/02/52/606180252.db2.gz YMOXTSRALZAPCL-UHFFFAOYSA-N -1 3 391.859 3.574 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CC[C@H]1CCOC1 ZINC000822211650 606236341 /nfs/dbraw/zinc/23/63/41/606236341.db2.gz IXEWRMGFUDWKRK-HNNXBMFYSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CC[C@H]1CCOC1 ZINC000822211650 606236343 /nfs/dbraw/zinc/23/63/43/606236343.db2.gz IXEWRMGFUDWKRK-HNNXBMFYSA-N -1 3 393.447 3.723 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000823323543 606248020 /nfs/dbraw/zinc/24/80/20/606248020.db2.gz SAOBNRLJUAKQAP-UHFFFAOYSA-N -1 3 391.822 3.593 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000823323543 606248022 /nfs/dbraw/zinc/24/80/22/606248022.db2.gz SAOBNRLJUAKQAP-UHFFFAOYSA-N -1 3 391.822 3.593 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)C1 ZINC000820696704 606263005 /nfs/dbraw/zinc/26/30/05/606263005.db2.gz BHNZTXWXFVZBFT-CXAGYDPISA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)C1 ZINC000820696704 606263007 /nfs/dbraw/zinc/26/30/07/606263007.db2.gz BHNZTXWXFVZBFT-CXAGYDPISA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CSCCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820813556 606278436 /nfs/dbraw/zinc/27/84/36/606278436.db2.gz JMWOTGJGHGOVQJ-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@H]1CSCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820813556 606278439 /nfs/dbraw/zinc/27/84/39/606278439.db2.gz JMWOTGJGHGOVQJ-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641062 606298124 /nfs/dbraw/zinc/29/81/24/606298124.db2.gz VNBUZJUHWOSSQU-JLTOFOAXSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641062 606298125 /nfs/dbraw/zinc/29/81/25/606298125.db2.gz VNBUZJUHWOSSQU-JLTOFOAXSA-N -1 3 387.443 3.585 20 0 GHADHM O=C1[C@@H](S[C@@H]2CCCc3ccccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511967 606311450 /nfs/dbraw/zinc/31/14/50/606311450.db2.gz JSPIHRYSQFHECW-CVEARBPZSA-N -1 3 397.529 3.844 20 0 GHADHM O=C1[C@@H](S[C@@H]2CCCc3ccccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511967 606311452 /nfs/dbraw/zinc/31/14/52/606311452.db2.gz JSPIHRYSQFHECW-CVEARBPZSA-N -1 3 397.529 3.844 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821695277 606341419 /nfs/dbraw/zinc/34/14/19/606341419.db2.gz QHBCNLPLQKXSJQ-GFCCVEGCSA-N -1 3 378.388 3.677 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821695277 606341420 /nfs/dbraw/zinc/34/14/20/606341420.db2.gz QHBCNLPLQKXSJQ-GFCCVEGCSA-N -1 3 378.388 3.677 20 0 GHADHM C[C@H](OC(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519168 606344555 /nfs/dbraw/zinc/34/45/55/606344555.db2.gz QAXWNJYXQAHOHL-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519168 606344557 /nfs/dbraw/zinc/34/45/57/606344557.db2.gz QAXWNJYXQAHOHL-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c12 ZINC000822530561 606353662 /nfs/dbraw/zinc/35/36/62/606353662.db2.gz HHTUERTYVGCBCA-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c12 ZINC000822530561 606353664 /nfs/dbraw/zinc/35/36/64/606353664.db2.gz HHTUERTYVGCBCA-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM CCCCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821071918 606361022 /nfs/dbraw/zinc/36/10/22/606361022.db2.gz NMOLXVRSRMEZQC-AWEZNQCLSA-N -1 3 382.420 3.770 20 0 GHADHM CCCCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821071918 606361024 /nfs/dbraw/zinc/36/10/24/606361024.db2.gz NMOLXVRSRMEZQC-AWEZNQCLSA-N -1 3 382.420 3.770 20 0 GHADHM O=C(COC1CCCC1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823027191 606361646 /nfs/dbraw/zinc/36/16/46/606361646.db2.gz PIOSJZAAMOSACW-UHFFFAOYSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(COC1CCCC1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823027191 606361647 /nfs/dbraw/zinc/36/16/47/606361647.db2.gz PIOSJZAAMOSACW-UHFFFAOYSA-N -1 3 380.404 3.524 20 0 GHADHM CCOc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000821436816 606372332 /nfs/dbraw/zinc/37/23/32/606372332.db2.gz FWXALXFKSTULDB-UHFFFAOYSA-N -1 3 398.492 3.633 20 0 GHADHM CCOc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000821436816 606372334 /nfs/dbraw/zinc/37/23/34/606372334.db2.gz FWXALXFKSTULDB-UHFFFAOYSA-N -1 3 398.492 3.633 20 0 GHADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000820456822 606428466 /nfs/dbraw/zinc/42/84/66/606428466.db2.gz WDDIVOJHAAFLCS-ZDUSSCGKSA-N -1 3 398.898 3.654 20 0 GHADHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000820456822 606428469 /nfs/dbraw/zinc/42/84/69/606428469.db2.gz WDDIVOJHAAFLCS-ZDUSSCGKSA-N -1 3 398.898 3.654 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCc1ccc2ccccc2c1 ZINC000822505539 606429099 /nfs/dbraw/zinc/42/90/99/606429099.db2.gz NCPQRPDRVGWOSD-UHFFFAOYSA-N -1 3 381.443 3.830 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCc1ccc2ccccc2c1 ZINC000822505539 606429101 /nfs/dbraw/zinc/42/91/01/606429101.db2.gz NCPQRPDRVGWOSD-UHFFFAOYSA-N -1 3 381.443 3.830 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000822737209 606452585 /nfs/dbraw/zinc/45/25/85/606452585.db2.gz QHIFPSNQHQWDLH-NSHDSACASA-N -1 3 382.374 3.670 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000822737209 606452586 /nfs/dbraw/zinc/45/25/86/606452586.db2.gz QHIFPSNQHQWDLH-NSHDSACASA-N -1 3 382.374 3.670 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]3c3ccccn3)c2c1 ZINC000822581252 606459402 /nfs/dbraw/zinc/45/94/02/606459402.db2.gz FXZTXLSRBWEXDB-QGZVFWFLSA-N -1 3 377.839 3.805 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]3c3ccccn3)c2c1 ZINC000822581252 606459403 /nfs/dbraw/zinc/45/94/03/606459403.db2.gz FXZTXLSRBWEXDB-QGZVFWFLSA-N -1 3 377.839 3.805 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822424185 606464844 /nfs/dbraw/zinc/46/48/44/606464844.db2.gz SUTUJFRQUAPCMX-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM Cc1nc(-c2ccccc2)sc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822424185 606464846 /nfs/dbraw/zinc/46/48/46/606464846.db2.gz SUTUJFRQUAPCMX-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823379696 606488213 /nfs/dbraw/zinc/48/82/13/606488213.db2.gz DTEUTJOGYCYOAF-UHFFFAOYSA-N -1 3 396.379 3.809 20 0 GHADHM O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823379696 606488215 /nfs/dbraw/zinc/48/82/15/606488215.db2.gz DTEUTJOGYCYOAF-UHFFFAOYSA-N -1 3 396.379 3.809 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000820117066 606491748 /nfs/dbraw/zinc/49/17/48/606491748.db2.gz SSTDGXHFHJAQGY-UHFFFAOYSA-N -1 3 375.476 3.627 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000820117066 606491750 /nfs/dbraw/zinc/49/17/50/606491750.db2.gz SSTDGXHFHJAQGY-UHFFFAOYSA-N -1 3 375.476 3.627 20 0 GHADHM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376214 606493769 /nfs/dbraw/zinc/49/37/69/606493769.db2.gz ZTVPTAHUWRSDAX-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376214 606493770 /nfs/dbraw/zinc/49/37/70/606493770.db2.gz ZTVPTAHUWRSDAX-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821782662 606498627 /nfs/dbraw/zinc/49/86/27/606498627.db2.gz JMTBXPVEJYHXHG-HXUWFJFHSA-N -1 3 391.475 3.562 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821782662 606498629 /nfs/dbraw/zinc/49/86/29/606498629.db2.gz JMTBXPVEJYHXHG-HXUWFJFHSA-N -1 3 391.475 3.562 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350352 606501404 /nfs/dbraw/zinc/50/14/04/606501404.db2.gz KEWIQOVOKQTAIH-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350352 606501405 /nfs/dbraw/zinc/50/14/05/606501405.db2.gz KEWIQOVOKQTAIH-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000820548885 606516958 /nfs/dbraw/zinc/51/69/58/606516958.db2.gz HMKDERGCSJCWAJ-LLVKDONJSA-N -1 3 397.822 3.512 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000820548885 606516960 /nfs/dbraw/zinc/51/69/60/606516960.db2.gz HMKDERGCSJCWAJ-LLVKDONJSA-N -1 3 397.822 3.512 20 0 GHADHM C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820241940 606523405 /nfs/dbraw/zinc/52/34/05/606523405.db2.gz KIRUBZAPEBTMGE-SNVBAGLBSA-N -1 3 395.410 3.871 20 0 GHADHM C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820241940 606523407 /nfs/dbraw/zinc/52/34/07/606523407.db2.gz KIRUBZAPEBTMGE-SNVBAGLBSA-N -1 3 395.410 3.871 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCCC1 ZINC000819867983 606524228 /nfs/dbraw/zinc/52/42/28/606524228.db2.gz WNIHLFPOJBLFOW-ZDUSSCGKSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCCC1 ZINC000819867983 606524230 /nfs/dbraw/zinc/52/42/30/606524230.db2.gz WNIHLFPOJBLFOW-ZDUSSCGKSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820564299 606526916 /nfs/dbraw/zinc/52/69/16/606526916.db2.gz ZIRMMRBSOQTVLX-GHMZBOCLSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820564299 606526917 /nfs/dbraw/zinc/52/69/17/606526917.db2.gz ZIRMMRBSOQTVLX-GHMZBOCLSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)[C@H]1C ZINC000820717917 606574144 /nfs/dbraw/zinc/57/41/44/606574144.db2.gz YSWZTJYZIPUNPU-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)[C@H]1C ZINC000820717917 606574146 /nfs/dbraw/zinc/57/41/46/606574146.db2.gz YSWZTJYZIPUNPU-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000819987814 606577062 /nfs/dbraw/zinc/57/70/62/606577062.db2.gz MZJBLPSQQXIFTK-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000819987814 606577064 /nfs/dbraw/zinc/57/70/64/606577064.db2.gz MZJBLPSQQXIFTK-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM c1c(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc2ccccn12 ZINC000823757023 606597782 /nfs/dbraw/zinc/59/77/82/606597782.db2.gz JOPXGFYZRFWKDO-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1c(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc2ccccn12 ZINC000823757023 606597783 /nfs/dbraw/zinc/59/77/83/606597783.db2.gz JOPXGFYZRFWKDO-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000821309718 606600001 /nfs/dbraw/zinc/60/00/01/606600001.db2.gz REJDCRKZMOJUPM-UHFFFAOYSA-N -1 3 396.842 3.614 20 0 GHADHM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819763739 606612063 /nfs/dbraw/zinc/61/20/63/606612063.db2.gz BQVYDOGKPKSWQY-ZRDIBKRKSA-N -1 3 386.358 3.615 20 0 GHADHM CC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819763739 606612065 /nfs/dbraw/zinc/61/20/65/606612065.db2.gz BQVYDOGKPKSWQY-ZRDIBKRKSA-N -1 3 386.358 3.615 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N(C)Cc1ccccc1 ZINC000820550601 606628627 /nfs/dbraw/zinc/62/86/27/606628627.db2.gz XIOARGORCXJNCM-LBPRGKRZSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N(C)Cc1ccccc1 ZINC000820550601 606628629 /nfs/dbraw/zinc/62/86/29/606628629.db2.gz XIOARGORCXJNCM-LBPRGKRZSA-N -1 3 387.896 3.659 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820919253 606668479 /nfs/dbraw/zinc/66/84/79/606668479.db2.gz AKSFVCVWDGTYHW-CQSZACIVSA-N -1 3 377.782 3.679 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820919253 606668480 /nfs/dbraw/zinc/66/84/80/606668480.db2.gz AKSFVCVWDGTYHW-CQSZACIVSA-N -1 3 377.782 3.679 20 0 GHADHM O=C(Cc1ccc(F)c(F)c1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823083142 606671156 /nfs/dbraw/zinc/67/11/56/606671156.db2.gz YMNZKSOPWFJIIU-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM O=C(Cc1ccc(F)c(F)c1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823083142 606671157 /nfs/dbraw/zinc/67/11/57/606671157.db2.gz YMNZKSOPWFJIIU-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822345787 606679372 /nfs/dbraw/zinc/67/93/72/606679372.db2.gz RLSLODBMMRYOFX-GOSISDBHSA-N -1 3 385.418 3.923 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822345787 606679373 /nfs/dbraw/zinc/67/93/73/606679373.db2.gz RLSLODBMMRYOFX-GOSISDBHSA-N -1 3 385.418 3.923 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822233662 606683682 /nfs/dbraw/zinc/68/36/82/606683682.db2.gz SOFHWIFXPKAWHP-BMIGLBTASA-N -1 3 387.390 3.660 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822233662 606683683 /nfs/dbraw/zinc/68/36/83/606683683.db2.gz SOFHWIFXPKAWHP-BMIGLBTASA-N -1 3 387.390 3.660 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820293252 606683883 /nfs/dbraw/zinc/68/38/83/606683883.db2.gz JQXJOCJWZNQMBS-OLZOCXBDSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820293252 606683884 /nfs/dbraw/zinc/68/38/84/606683884.db2.gz JQXJOCJWZNQMBS-OLZOCXBDSA-N -1 3 385.468 3.611 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000822350709 606686184 /nfs/dbraw/zinc/68/61/84/606686184.db2.gz GDJFABOUYGKYGB-QGZVFWFLSA-N -1 3 385.418 3.971 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000822350709 606686185 /nfs/dbraw/zinc/68/61/85/606686185.db2.gz GDJFABOUYGKYGB-QGZVFWFLSA-N -1 3 385.418 3.971 20 0 GHADHM FC(F)(F)c1cc(NCc2nnc(-c3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000822723639 606705642 /nfs/dbraw/zinc/70/56/42/606705642.db2.gz IXVAPJHOVPWKAS-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1cc(NCc2nnc(-c3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000822723639 606705643 /nfs/dbraw/zinc/70/56/43/606705643.db2.gz IXVAPJHOVPWKAS-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360319 606743370 /nfs/dbraw/zinc/74/33/70/606743370.db2.gz YDGFFOJEMGENBT-DYVFJYSZSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360319 606743371 /nfs/dbraw/zinc/74/33/71/606743371.db2.gz YDGFFOJEMGENBT-DYVFJYSZSA-N -1 3 392.463 3.529 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Br)s1 ZINC000822183989 606760617 /nfs/dbraw/zinc/76/06/17/606760617.db2.gz NCWXYTNNJHJALU-SECBINFHSA-N -1 3 393.266 3.917 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Br)s1 ZINC000822183989 606760619 /nfs/dbraw/zinc/76/06/19/606760619.db2.gz NCWXYTNNJHJALU-SECBINFHSA-N -1 3 393.266 3.917 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCSC[C@@H]2C)cc1 ZINC000822135536 606792852 /nfs/dbraw/zinc/79/28/52/606792852.db2.gz DFHZSYZTAUZVTG-AWEZNQCLSA-N -1 3 395.488 3.545 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCSC[C@@H]2C)cc1 ZINC000822135536 606792853 /nfs/dbraw/zinc/79/28/53/606792853.db2.gz DFHZSYZTAUZVTG-AWEZNQCLSA-N -1 3 395.488 3.545 20 0 GHADHM COCCC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821686037 606796682 /nfs/dbraw/zinc/79/66/82/606796682.db2.gz YNSNFQAVUOTZES-UHFFFAOYSA-N -1 3 395.463 3.512 20 0 GHADHM COCCC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821686037 606796683 /nfs/dbraw/zinc/79/66/83/606796683.db2.gz YNSNFQAVUOTZES-UHFFFAOYSA-N -1 3 395.463 3.512 20 0 GHADHM CSc1cc(C)ccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821979619 606800758 /nfs/dbraw/zinc/80/07/58/606800758.db2.gz UNNJWHLSCSDSDY-UHFFFAOYSA-N -1 3 380.399 3.923 20 0 GHADHM CSc1cc(C)ccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821979619 606800759 /nfs/dbraw/zinc/80/07/59/606800759.db2.gz UNNJWHLSCSDSDY-UHFFFAOYSA-N -1 3 380.399 3.923 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000822135919 606825359 /nfs/dbraw/zinc/82/53/59/606825359.db2.gz GWCKKMUQKBMPQL-KRWDZBQOSA-N -1 3 385.493 3.519 20 0 GHADHM CC(=O)CCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819782804 606829608 /nfs/dbraw/zinc/82/96/08/606829608.db2.gz PTKNTVYRVBKDRY-UHFFFAOYSA-N -1 3 380.404 3.575 20 0 GHADHM CC(=O)CCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819782804 606829610 /nfs/dbraw/zinc/82/96/10/606829610.db2.gz PTKNTVYRVBKDRY-UHFFFAOYSA-N -1 3 380.404 3.575 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000466311178 606859205 /nfs/dbraw/zinc/85/92/05/606859205.db2.gz HIVKUGLPAZOWBC-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000466311178 606859208 /nfs/dbraw/zinc/85/92/08/606859208.db2.gz HIVKUGLPAZOWBC-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM CCN(C(=O)COC/C=C/c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154737 606871474 /nfs/dbraw/zinc/87/14/74/606871474.db2.gz QULVWJAEAVPMLW-PYUISTEWSA-N -1 3 391.475 3.506 20 0 GHADHM CCN(C(=O)COC/C=C/c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154737 606871475 /nfs/dbraw/zinc/87/14/75/606871475.db2.gz QULVWJAEAVPMLW-PYUISTEWSA-N -1 3 391.475 3.506 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000823690578 606921459 /nfs/dbraw/zinc/92/14/59/606921459.db2.gz PRAZIVZGOHRKPU-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000823690578 606921460 /nfs/dbraw/zinc/92/14/60/606921460.db2.gz PRAZIVZGOHRKPU-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CC(C)n1ccnc1CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820215722 606926812 /nfs/dbraw/zinc/92/68/12/606926812.db2.gz YQPWKJBVWHGUGE-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM CC(C)n1ccnc1CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820215722 606926813 /nfs/dbraw/zinc/92/68/13/606926813.db2.gz YQPWKJBVWHGUGE-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM Fc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(OCC(F)(F)F)c1 ZINC000822782787 606929813 /nfs/dbraw/zinc/92/98/13/606929813.db2.gz GUGWTBPDHTZUNF-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(OCC(F)(F)F)c1 ZINC000822782787 606929814 /nfs/dbraw/zinc/92/98/14/606929814.db2.gz GUGWTBPDHTZUNF-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM FC(F)(F)c1ccc(NC[C@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822728941 606936508 /nfs/dbraw/zinc/93/65/08/606936508.db2.gz NJUFSXJWHOQIBE-MRXNPFEDSA-N -1 3 375.354 3.611 20 0 GHADHM FC(F)(F)c1ccc(NC[C@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822728941 606936509 /nfs/dbraw/zinc/93/65/09/606936509.db2.gz NJUFSXJWHOQIBE-MRXNPFEDSA-N -1 3 375.354 3.611 20 0 GHADHM Cc1coc(-c2cc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2C)n1 ZINC000822403089 606945381 /nfs/dbraw/zinc/94/53/81/606945381.db2.gz LBFHECSXDMDHIV-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM Cc1coc(-c2cc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2C)n1 ZINC000822403089 606945382 /nfs/dbraw/zinc/94/53/82/606945382.db2.gz LBFHECSXDMDHIV-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140191 606951587 /nfs/dbraw/zinc/95/15/87/606951587.db2.gz RDMMDVWARIVKAY-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140191 606951589 /nfs/dbraw/zinc/95/15/89/606951589.db2.gz RDMMDVWARIVKAY-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CCC2 ZINC000821509332 606953176 /nfs/dbraw/zinc/95/31/76/606953176.db2.gz GCBFKYFDHIKDBB-OAHLLOKOSA-N -1 3 397.508 3.735 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CCC2 ZINC000821509332 606953178 /nfs/dbraw/zinc/95/31/78/606953178.db2.gz GCBFKYFDHIKDBB-OAHLLOKOSA-N -1 3 397.508 3.735 20 0 GHADHM CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572314 606960784 /nfs/dbraw/zinc/96/07/84/606960784.db2.gz ZKSQIWCDZDQVDO-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572314 606960785 /nfs/dbraw/zinc/96/07/85/606960785.db2.gz ZKSQIWCDZDQVDO-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574343 606962537 /nfs/dbraw/zinc/96/25/37/606962537.db2.gz CGKFJPKPAMQJRM-UHFFFAOYSA-N -1 3 399.241 3.998 20 0 GHADHM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574343 606962539 /nfs/dbraw/zinc/96/25/39/606962539.db2.gz CGKFJPKPAMQJRM-UHFFFAOYSA-N -1 3 399.241 3.998 20 0 GHADHM Cc1ccc(SCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822266568 606963427 /nfs/dbraw/zinc/96/34/27/606963427.db2.gz CPYRJDKQYOQXBK-UHFFFAOYSA-N -1 3 387.896 3.892 20 0 GHADHM Cc1ccc(SCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822266568 606963429 /nfs/dbraw/zinc/96/34/29/606963429.db2.gz CPYRJDKQYOQXBK-UHFFFAOYSA-N -1 3 387.896 3.892 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820938680 606964463 /nfs/dbraw/zinc/96/44/63/606964463.db2.gz LPATZJOSLSSBHR-INIZCTEOSA-N -1 3 385.855 3.649 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820938680 606964465 /nfs/dbraw/zinc/96/44/65/606964465.db2.gz LPATZJOSLSSBHR-INIZCTEOSA-N -1 3 385.855 3.649 20 0 GHADHM CC(C)N(C(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820112115 606965974 /nfs/dbraw/zinc/96/59/74/606965974.db2.gz KBEZUOCPLDNAJJ-UHFFFAOYSA-N -1 3 375.354 3.941 20 0 GHADHM CC(C)N(C(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820112115 606965976 /nfs/dbraw/zinc/96/59/76/606965976.db2.gz KBEZUOCPLDNAJJ-UHFFFAOYSA-N -1 3 375.354 3.941 20 0 GHADHM CCC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020593 606981830 /nfs/dbraw/zinc/98/18/30/606981830.db2.gz FWCXDYYXDXNCJZ-SFHVURJKSA-N -1 3 385.418 3.735 20 0 GHADHM CCC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020593 606981832 /nfs/dbraw/zinc/98/18/32/606981832.db2.gz FWCXDYYXDXNCJZ-SFHVURJKSA-N -1 3 385.418 3.735 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822207385 606987628 /nfs/dbraw/zinc/98/76/28/606987628.db2.gz UOJLSBYHLOYXEE-MRXNPFEDSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822207385 606987630 /nfs/dbraw/zinc/98/76/30/606987630.db2.gz UOJLSBYHLOYXEE-MRXNPFEDSA-N -1 3 390.491 3.735 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000821446854 606988872 /nfs/dbraw/zinc/98/88/72/606988872.db2.gz DSQUNJCJLIGULA-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000821446854 606988873 /nfs/dbraw/zinc/98/88/73/606988873.db2.gz DSQUNJCJLIGULA-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822773936 607007357 /nfs/dbraw/zinc/00/73/57/607007357.db2.gz BSLCDODBHRFBNH-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822773936 607007359 /nfs/dbraw/zinc/00/73/59/607007359.db2.gz BSLCDODBHRFBNH-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM COCc1ccc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000821695415 607008117 /nfs/dbraw/zinc/00/81/17/607008117.db2.gz YGFRQKRVLFCNMJ-UHFFFAOYSA-N -1 3 381.461 3.624 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820557431 607011829 /nfs/dbraw/zinc/01/18/29/607011829.db2.gz ZGBUFCKWZPNSLS-CYBMUJFWSA-N -1 3 393.472 3.925 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820557431 607011830 /nfs/dbraw/zinc/01/18/30/607011830.db2.gz ZGBUFCKWZPNSLS-CYBMUJFWSA-N -1 3 393.472 3.925 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820220346 607018112 /nfs/dbraw/zinc/01/81/12/607018112.db2.gz RMWUQBWYBJHSDV-HNNXBMFYSA-N -1 3 388.431 3.582 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820220346 607018114 /nfs/dbraw/zinc/01/81/14/607018114.db2.gz RMWUQBWYBJHSDV-HNNXBMFYSA-N -1 3 388.431 3.582 20 0 GHADHM CCC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000821020874 607020127 /nfs/dbraw/zinc/02/01/27/607020127.db2.gz IVUDYDDHVITOIR-HNNXBMFYSA-N -1 3 393.344 3.694 20 0 GHADHM CCC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000821020874 607020129 /nfs/dbraw/zinc/02/01/29/607020129.db2.gz IVUDYDDHVITOIR-HNNXBMFYSA-N -1 3 393.344 3.694 20 0 GHADHM Cn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1cccc(Cl)c1 ZINC000822605037 607020681 /nfs/dbraw/zinc/02/06/81/607020681.db2.gz VUZYXZFKACANJO-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1cccc(Cl)c1 ZINC000822605037 607020683 /nfs/dbraw/zinc/02/06/83/607020683.db2.gz VUZYXZFKACANJO-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000822741588 607056650 /nfs/dbraw/zinc/05/66/50/607056650.db2.gz ZYKYYKMTFIPOJS-CQSZACIVSA-N -1 3 394.237 3.926 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000822741588 607056651 /nfs/dbraw/zinc/05/66/51/607056651.db2.gz ZYKYYKMTFIPOJS-CQSZACIVSA-N -1 3 394.237 3.926 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000820481004 607082717 /nfs/dbraw/zinc/08/27/17/607082717.db2.gz RILHUIHKKBPKKN-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000820481004 607082719 /nfs/dbraw/zinc/08/27/19/607082719.db2.gz RILHUIHKKBPKKN-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000821304520 607100650 /nfs/dbraw/zinc/10/06/50/607100650.db2.gz IRJNHBYIZAHNDB-UHFFFAOYSA-N -1 3 376.342 3.570 20 0 GHADHM CCS[C@H](C)c1noc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449721 607101192 /nfs/dbraw/zinc/10/11/92/607101192.db2.gz WZDBNEFOXYCEGC-CYBMUJFWSA-N -1 3 387.513 3.726 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000821293353 607101564 /nfs/dbraw/zinc/10/15/64/607101564.db2.gz KOMJQDHDCILASG-CYBMUJFWSA-N -1 3 382.493 3.559 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)Cc1ccccc1OC ZINC000821293600 607101719 /nfs/dbraw/zinc/10/17/19/607101719.db2.gz LQYIBFANOJTMNG-AWEZNQCLSA-N -1 3 394.479 3.515 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823246126 607102518 /nfs/dbraw/zinc/10/25/18/607102518.db2.gz CIKRSFPXPPSWME-UHFFFAOYSA-N -1 3 396.454 3.806 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823246126 607102519 /nfs/dbraw/zinc/10/25/19/607102519.db2.gz CIKRSFPXPPSWME-UHFFFAOYSA-N -1 3 396.454 3.806 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820481756 607118287 /nfs/dbraw/zinc/11/82/87/607118287.db2.gz ZYAKMFAZEWIVDV-GFCCVEGCSA-N -1 3 399.451 3.614 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820481756 607118289 /nfs/dbraw/zinc/11/82/89/607118289.db2.gz ZYAKMFAZEWIVDV-GFCCVEGCSA-N -1 3 399.451 3.614 20 0 GHADHM Clc1cc(C=Cc2cncs2)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000822568477 607123051 /nfs/dbraw/zinc/12/30/51/607123051.db2.gz RYHWTVJYRURINY-AATRIKPKSA-N -1 3 379.836 3.948 20 0 GHADHM Clc1cc(C=Cc2cncs2)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000822568477 607123052 /nfs/dbraw/zinc/12/30/52/607123052.db2.gz RYHWTVJYRURINY-AATRIKPKSA-N -1 3 379.836 3.948 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1CC12CCC2 ZINC000822211853 607125644 /nfs/dbraw/zinc/12/56/44/607125644.db2.gz QKPJWHACMHQIOE-GOSISDBHSA-N -1 3 389.459 3.883 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1CC12CCC2 ZINC000822211853 607125646 /nfs/dbraw/zinc/12/56/46/607125646.db2.gz QKPJWHACMHQIOE-GOSISDBHSA-N -1 3 389.459 3.883 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@H]1CC12CCC2 ZINC000823357735 607129878 /nfs/dbraw/zinc/12/98/78/607129878.db2.gz ZZJCVFJGGJWCCJ-CQSZACIVSA-N -1 3 379.395 3.927 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@H]1CC12CCC2 ZINC000823357735 607129879 /nfs/dbraw/zinc/12/98/79/607129879.db2.gz ZZJCVFJGGJWCCJ-CQSZACIVSA-N -1 3 379.395 3.927 20 0 GHADHM CC(C)c1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000820187844 607139165 /nfs/dbraw/zinc/13/91/65/607139165.db2.gz VRGZHKDWAHNJLM-UHFFFAOYSA-N -1 3 380.383 3.758 20 0 GHADHM CC(C)c1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000820187844 607139167 /nfs/dbraw/zinc/13/91/67/607139167.db2.gz VRGZHKDWAHNJLM-UHFFFAOYSA-N -1 3 380.383 3.758 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1F ZINC000820508883 607158083 /nfs/dbraw/zinc/15/80/83/607158083.db2.gz ZRKAHZBWZLOFSF-ZETCQYMHSA-N -1 3 397.229 3.748 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1F ZINC000820508883 607158085 /nfs/dbraw/zinc/15/80/85/607158085.db2.gz ZRKAHZBWZLOFSF-ZETCQYMHSA-N -1 3 397.229 3.748 20 0 GHADHM CCCCC[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821050948 607165110 /nfs/dbraw/zinc/16/51/10/607165110.db2.gz VUCWPFTXABTEDW-GOSISDBHSA-N -1 3 385.512 3.987 20 0 GHADHM CCCCC[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821050948 607165111 /nfs/dbraw/zinc/16/51/11/607165111.db2.gz VUCWPFTXABTEDW-GOSISDBHSA-N -1 3 385.512 3.987 20 0 GHADHM Fc1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)cc1F ZINC000822761927 607168881 /nfs/dbraw/zinc/16/88/81/607168881.db2.gz WFTGGQUGPQKNNM-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)cc1F ZINC000822761927 607168882 /nfs/dbraw/zinc/16/88/82/607168882.db2.gz WFTGGQUGPQKNNM-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820103062 607188798 /nfs/dbraw/zinc/18/87/98/607188798.db2.gz OLZAJMAISIJAQG-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820103062 607188799 /nfs/dbraw/zinc/18/87/99/607188799.db2.gz OLZAJMAISIJAQG-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)s1 ZINC000823319099 607189375 /nfs/dbraw/zinc/18/93/75/607189375.db2.gz RAGHUWKZMYSNQR-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)s1 ZINC000823319099 607189376 /nfs/dbraw/zinc/18/93/76/607189376.db2.gz RAGHUWKZMYSNQR-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082398 607189384 /nfs/dbraw/zinc/18/93/84/607189384.db2.gz GZXONDYDWWKPIU-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082398 607189385 /nfs/dbraw/zinc/18/93/85/607189385.db2.gz GZXONDYDWWKPIU-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823313480 607190333 /nfs/dbraw/zinc/19/03/33/607190333.db2.gz CGFAMHYFJTZDPS-NXEZZACHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823313480 607190334 /nfs/dbraw/zinc/19/03/34/607190334.db2.gz CGFAMHYFJTZDPS-NXEZZACHSA-N -1 3 375.766 3.541 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820534552 607191486 /nfs/dbraw/zinc/19/14/86/607191486.db2.gz LLASQZDWQUAKJZ-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820534552 607191487 /nfs/dbraw/zinc/19/14/87/607191487.db2.gz LLASQZDWQUAKJZ-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)cc1Cl ZINC000820116841 607192077 /nfs/dbraw/zinc/19/20/77/607192077.db2.gz PRJADUIXDQNXIM-UHFFFAOYSA-N -1 3 387.846 3.639 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)cc1Cl ZINC000820116841 607192078 /nfs/dbraw/zinc/19/20/78/607192078.db2.gz PRJADUIXDQNXIM-UHFFFAOYSA-N -1 3 387.846 3.639 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000823488316 607193790 /nfs/dbraw/zinc/19/37/90/607193790.db2.gz LIPPYYXEJSVXKW-UHFFFAOYSA-N -1 3 396.454 3.734 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000823488316 607193791 /nfs/dbraw/zinc/19/37/91/607193791.db2.gz LIPPYYXEJSVXKW-UHFFFAOYSA-N -1 3 396.454 3.734 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1CCCC(F)(F)C1 ZINC000823303616 607195235 /nfs/dbraw/zinc/19/52/35/607195235.db2.gz ORXOJTWXURAOKU-VIFPVBQESA-N -1 3 390.316 3.585 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1CCCC(F)(F)C1 ZINC000823303616 607195236 /nfs/dbraw/zinc/19/52/36/607195236.db2.gz ORXOJTWXURAOKU-VIFPVBQESA-N -1 3 390.316 3.585 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000819981160 607196071 /nfs/dbraw/zinc/19/60/71/607196071.db2.gz NXGLUWXTHQZJAM-UHFFFAOYSA-N -1 3 376.873 3.681 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000819981160 607196072 /nfs/dbraw/zinc/19/60/72/607196072.db2.gz NXGLUWXTHQZJAM-UHFFFAOYSA-N -1 3 376.873 3.681 20 0 GHADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000822350414 607201086 /nfs/dbraw/zinc/20/10/86/607201086.db2.gz CVKZYAYSHPXGNN-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822350414 607201087 /nfs/dbraw/zinc/20/10/87/607201087.db2.gz CVKZYAYSHPXGNN-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821449435 607202324 /nfs/dbraw/zinc/20/23/24/607202324.db2.gz TZISHSHBRMKALC-VXGBXAGGSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821449435 607202325 /nfs/dbraw/zinc/20/23/25/607202325.db2.gz TZISHSHBRMKALC-VXGBXAGGSA-N -1 3 380.905 3.658 20 0 GHADHM O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823258056 607202822 /nfs/dbraw/zinc/20/28/22/607202822.db2.gz ZSFJLMZAMNUVII-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823258056 607202823 /nfs/dbraw/zinc/20/28/23/607202823.db2.gz ZSFJLMZAMNUVII-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](Cc2ccccc2)C1 ZINC000823315490 607203953 /nfs/dbraw/zinc/20/39/53/607203953.db2.gz YMJFYCJJJWKIED-CQSZACIVSA-N -1 3 382.855 3.617 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](Cc2ccccc2)C1 ZINC000823315490 607203954 /nfs/dbraw/zinc/20/39/54/607203954.db2.gz YMJFYCJJJWKIED-CQSZACIVSA-N -1 3 382.855 3.617 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC000822352019 607234516 /nfs/dbraw/zinc/23/45/16/607234516.db2.gz UENVPQGGTFUGEN-MRXNPFEDSA-N -1 3 384.871 3.741 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(C)(C)C ZINC000822352019 607234517 /nfs/dbraw/zinc/23/45/17/607234517.db2.gz UENVPQGGTFUGEN-MRXNPFEDSA-N -1 3 384.871 3.741 20 0 GHADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000819844654 607235301 /nfs/dbraw/zinc/23/53/01/607235301.db2.gz KFLQENUTPHXPIE-SNVBAGLBSA-N -1 3 381.461 3.508 20 0 GHADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000819844654 607235302 /nfs/dbraw/zinc/23/53/02/607235302.db2.gz KFLQENUTPHXPIE-SNVBAGLBSA-N -1 3 381.461 3.508 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3ccccc3-c3nnn[n-]3)c2)n1 ZINC000826320001 607786926 /nfs/dbraw/zinc/78/69/26/607786926.db2.gz CCVSMJRFDYWQSG-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3ccccc3-c3nn[n-]n3)c2)n1 ZINC000826320001 607786927 /nfs/dbraw/zinc/78/69/27/607786927.db2.gz CCVSMJRFDYWQSG-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829559 607789423 /nfs/dbraw/zinc/78/94/23/607789423.db2.gz GPUFLIXDAMDQOB-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829559 607789424 /nfs/dbraw/zinc/78/94/24/607789424.db2.gz GPUFLIXDAMDQOB-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825812654 607789756 /nfs/dbraw/zinc/78/97/56/607789756.db2.gz QGTUDNNERYREND-KBPBESRZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825812654 607789757 /nfs/dbraw/zinc/78/97/57/607789757.db2.gz QGTUDNNERYREND-KBPBESRZSA-N -1 3 388.258 3.940 20 0 GHADHM CCN(C(=O)CCCOc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372307 607797391 /nfs/dbraw/zinc/79/73/91/607797391.db2.gz VIHYPWQGPQZANW-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM CCN(C(=O)CCCOc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372307 607797392 /nfs/dbraw/zinc/79/73/92/607797392.db2.gz VIHYPWQGPQZANW-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736154732 607800899 /nfs/dbraw/zinc/80/08/99/607800899.db2.gz BEYQFHDKUBTGTK-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000824223385 607802937 /nfs/dbraw/zinc/80/29/37/607802937.db2.gz HNQWZTCIVMJPMM-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000824223385 607802938 /nfs/dbraw/zinc/80/29/38/607802938.db2.gz HNQWZTCIVMJPMM-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824119826 607826717 /nfs/dbraw/zinc/82/67/17/607826717.db2.gz RGNLYBYLGWBIDO-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824119826 607826718 /nfs/dbraw/zinc/82/67/18/607826718.db2.gz RGNLYBYLGWBIDO-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM Cc1nc2cc(NC(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)ccc2o1 ZINC000826328514 607833308 /nfs/dbraw/zinc/83/33/08/607833308.db2.gz UITYOEKQDZCFLC-UHFFFAOYSA-N -1 3 389.202 3.875 20 0 GHADHM Cc1nc2cc(NC(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)ccc2o1 ZINC000826328514 607833309 /nfs/dbraw/zinc/83/33/09/607833309.db2.gz UITYOEKQDZCFLC-UHFFFAOYSA-N -1 3 389.202 3.875 20 0 GHADHM Cc1ccccc1CN(C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826306983 607833392 /nfs/dbraw/zinc/83/33/92/607833392.db2.gz SBGBDMUDUGSTTK-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1ccccc1CN(C)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826306983 607833393 /nfs/dbraw/zinc/83/33/93/607833393.db2.gz SBGBDMUDUGSTTK-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM c1ccc(C2(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)CCOCC2)cc1 ZINC000826520424 607840826 /nfs/dbraw/zinc/84/08/26/607840826.db2.gz IVAYMOLSFKYEJZ-UHFFFAOYSA-N -1 3 386.459 3.575 20 0 GHADHM c1ccc(C2(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)CCOCC2)cc1 ZINC000826520424 607840827 /nfs/dbraw/zinc/84/08/27/607840827.db2.gz IVAYMOLSFKYEJZ-UHFFFAOYSA-N -1 3 386.459 3.575 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCCCCNc1ccccn1 ZINC000826368666 607841516 /nfs/dbraw/zinc/84/15/16/607841516.db2.gz YEGGHNYRBSIAKA-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCCCCNc1ccccn1 ZINC000826368666 607841517 /nfs/dbraw/zinc/84/15/17/607841517.db2.gz YEGGHNYRBSIAKA-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(-n2cccn2)c1 ZINC000824662742 607842825 /nfs/dbraw/zinc/84/28/25/607842825.db2.gz QQTMEPDNDDVNOB-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(-n2cccn2)c1 ZINC000824662742 607842826 /nfs/dbraw/zinc/84/28/26/607842826.db2.gz QQTMEPDNDDVNOB-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826307483 607843839 /nfs/dbraw/zinc/84/38/39/607843839.db2.gz KDHBHLNYQFWCOQ-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826307483 607843840 /nfs/dbraw/zinc/84/38/40/607843840.db2.gz KDHBHLNYQFWCOQ-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826291223 607843986 /nfs/dbraw/zinc/84/39/86/607843986.db2.gz VDDWZSODSIYPRA-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826291223 607843987 /nfs/dbraw/zinc/84/39/87/607843987.db2.gz VDDWZSODSIYPRA-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1cccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1Cl ZINC000826295875 607854937 /nfs/dbraw/zinc/85/49/37/607854937.db2.gz BNZWFXDPXNYYCO-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1Cl ZINC000826295875 607854938 /nfs/dbraw/zinc/85/49/38/607854938.db2.gz BNZWFXDPXNYYCO-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NC2(C)CCC2)cc1 ZINC000826176383 607856574 /nfs/dbraw/zinc/85/65/74/607856574.db2.gz MUMGYZGXJPDNPG-UHFFFAOYSA-N -1 3 394.435 3.732 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NC2(C)CCC2)cc1 ZINC000826176383 607856575 /nfs/dbraw/zinc/85/65/75/607856575.db2.gz MUMGYZGXJPDNPG-UHFFFAOYSA-N -1 3 394.435 3.732 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824507014 607857962 /nfs/dbraw/zinc/85/79/62/607857962.db2.gz RULOXFQGROCUDK-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824507014 607857963 /nfs/dbraw/zinc/85/79/63/607857963.db2.gz RULOXFQGROCUDK-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM O[C@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000826503966 607872822 /nfs/dbraw/zinc/87/28/22/607872822.db2.gz KNDCHGINZIDVIY-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000826503966 607872823 /nfs/dbraw/zinc/87/28/23/607872823.db2.gz KNDCHGINZIDVIY-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1F ZINC000826505538 607878415 /nfs/dbraw/zinc/87/84/15/607878415.db2.gz YGGUQJADJALRNO-FQEVSTJZSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@@H](COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1F ZINC000826505538 607878416 /nfs/dbraw/zinc/87/84/16/607878416.db2.gz YGGUQJADJALRNO-FQEVSTJZSA-N -1 3 392.390 3.911 20 0 GHADHM CCOc1ccc(CC(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825638514 607879285 /nfs/dbraw/zinc/87/92/85/607879285.db2.gz MNDMCVSEOSWKHW-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCOc1ccc(CC(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825638514 607879286 /nfs/dbraw/zinc/87/92/86/607879286.db2.gz MNDMCVSEOSWKHW-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824458650 607927628 /nfs/dbraw/zinc/92/76/28/607927628.db2.gz VYCRBOWJENAYNM-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824458650 607927629 /nfs/dbraw/zinc/92/76/29/607927629.db2.gz VYCRBOWJENAYNM-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826416812 607950144 /nfs/dbraw/zinc/95/01/44/607950144.db2.gz QYWUDMYJUDUXAO-UHFFFAOYSA-N -1 3 397.438 3.502 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826416812 607950145 /nfs/dbraw/zinc/95/01/45/607950145.db2.gz QYWUDMYJUDUXAO-UHFFFAOYSA-N -1 3 397.438 3.502 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c2c1 ZINC000826295621 607952580 /nfs/dbraw/zinc/95/25/80/607952580.db2.gz PXBMKGPDPYRDTH-UHFFFAOYSA-N -1 3 396.454 3.804 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c2c1 ZINC000826295621 607952581 /nfs/dbraw/zinc/95/25/81/607952581.db2.gz PXBMKGPDPYRDTH-UHFFFAOYSA-N -1 3 396.454 3.804 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nnn[n-]3)c2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826336692 607965911 /nfs/dbraw/zinc/96/59/11/607965911.db2.gz JQONXQQKOTXWNF-CJNGLKHVSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nn[n-]n3)c2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826336692 607965912 /nfs/dbraw/zinc/96/59/12/607965912.db2.gz JQONXQQKOTXWNF-CJNGLKHVSA-N -1 3 399.524 3.689 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(Oc2cnccn2)cc1 ZINC000825353166 607975087 /nfs/dbraw/zinc/97/50/87/607975087.db2.gz SLOKDSRQMPPSMH-UHFFFAOYSA-N -1 3 398.430 3.876 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(Oc2cnccn2)cc1 ZINC000825353166 607975088 /nfs/dbraw/zinc/97/50/88/607975088.db2.gz SLOKDSRQMPPSMH-UHFFFAOYSA-N -1 3 398.430 3.876 20 0 GHADHM COC1CCC(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000826144826 608000115 /nfs/dbraw/zinc/00/01/15/608000115.db2.gz SYNIMTFTRWTEFI-UHFFFAOYSA-N -1 3 389.525 3.731 20 0 GHADHM COC1CCC(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000826144826 608000116 /nfs/dbraw/zinc/00/01/16/608000116.db2.gz SYNIMTFTRWTEFI-UHFFFAOYSA-N -1 3 389.525 3.731 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cc(-c2ncco2)ccc1C ZINC000826278265 608007467 /nfs/dbraw/zinc/00/74/67/608007467.db2.gz WFBBIMMDUOVBBW-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cc(-c2ncco2)ccc1C ZINC000826278265 608007468 /nfs/dbraw/zinc/00/74/68/608007468.db2.gz WFBBIMMDUOVBBW-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM CCc1onc(C)c1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825782782 608010110 /nfs/dbraw/zinc/01/01/10/608010110.db2.gz PDWFUGJCIXEJRA-UHFFFAOYSA-N -1 3 389.419 3.721 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCC(=O)C2CCCCC2)n1 ZINC000826262283 608021687 /nfs/dbraw/zinc/02/16/87/608021687.db2.gz KMIIWZWJFIRCAI-UHFFFAOYSA-N -1 3 385.415 3.830 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824520677 608030351 /nfs/dbraw/zinc/03/03/51/608030351.db2.gz BGHCQARZONDQLA-ZDUSSCGKSA-N -1 3 390.472 3.837 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824520677 608030352 /nfs/dbraw/zinc/03/03/52/608030352.db2.gz BGHCQARZONDQLA-ZDUSSCGKSA-N -1 3 390.472 3.837 20 0 GHADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000119635817 608046940 /nfs/dbraw/zinc/04/69/40/608046940.db2.gz XPMYVWCMDNTSOW-HNNXBMFYSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000119635817 608046941 /nfs/dbraw/zinc/04/69/41/608046941.db2.gz XPMYVWCMDNTSOW-HNNXBMFYSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392057 608051238 /nfs/dbraw/zinc/05/12/38/608051238.db2.gz LIKBWGWFCKGUOX-TVQRCGJNSA-N -1 3 394.298 3.615 20 0 GHADHM c1nc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)sc1-c1ccccc1 ZINC000826519132 608052798 /nfs/dbraw/zinc/05/27/98/608052798.db2.gz LLMQDZNBBDYVDD-KRWDZBQOSA-N -1 3 390.472 3.568 20 0 GHADHM c1nc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)sc1-c1ccccc1 ZINC000826519132 608052799 /nfs/dbraw/zinc/05/27/99/608052799.db2.gz LLMQDZNBBDYVDD-KRWDZBQOSA-N -1 3 390.472 3.568 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000824052979 608058810 /nfs/dbraw/zinc/05/88/10/608058810.db2.gz ULTZPUDESDMERW-OAHLLOKOSA-N -1 3 398.422 3.807 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826427736 608071931 /nfs/dbraw/zinc/07/19/31/608071931.db2.gz YVDGMETUHUFPEF-UHFFFAOYSA-N -1 3 395.850 3.985 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826427736 608071932 /nfs/dbraw/zinc/07/19/32/608071932.db2.gz YVDGMETUHUFPEF-UHFFFAOYSA-N -1 3 395.850 3.985 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc(F)c(Cl)cc1F ZINC000826460580 608122572 /nfs/dbraw/zinc/12/25/72/608122572.db2.gz JCVFSRRAZQXMQY-UHFFFAOYSA-N -1 3 395.822 3.991 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc(F)c(Cl)cc1F ZINC000826460580 608122573 /nfs/dbraw/zinc/12/25/73/608122573.db2.gz JCVFSRRAZQXMQY-UHFFFAOYSA-N -1 3 395.822 3.991 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824347808 608155524 /nfs/dbraw/zinc/15/55/24/608155524.db2.gz ONWAIMMJFWSAKP-ARJAWSKDSA-N -1 3 379.439 3.849 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824347808 608155526 /nfs/dbraw/zinc/15/55/26/608155526.db2.gz ONWAIMMJFWSAKP-ARJAWSKDSA-N -1 3 379.439 3.849 20 0 GHADHM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347552 608159173 /nfs/dbraw/zinc/15/91/73/608159173.db2.gz CXLVWDKGBNCSFO-LJQANCHMSA-N -1 3 376.464 3.753 20 0 GHADHM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347552 608159174 /nfs/dbraw/zinc/15/91/74/608159174.db2.gz CXLVWDKGBNCSFO-LJQANCHMSA-N -1 3 376.464 3.753 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824722494 608183581 /nfs/dbraw/zinc/18/35/81/608183581.db2.gz JBLVUYSBGMGSBJ-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824722494 608183583 /nfs/dbraw/zinc/18/35/83/608183583.db2.gz JBLVUYSBGMGSBJ-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722609 608183649 /nfs/dbraw/zinc/18/36/49/608183649.db2.gz JQLJTMKXRGZISS-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722609 608183652 /nfs/dbraw/zinc/18/36/52/608183652.db2.gz JQLJTMKXRGZISS-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cccc(F)c1 ZINC000824757644 608207070 /nfs/dbraw/zinc/20/70/70/608207070.db2.gz ZIAJLJFVXWSHQJ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cccc(F)c1 ZINC000824757644 608207073 /nfs/dbraw/zinc/20/70/73/608207073.db2.gz ZIAJLJFVXWSHQJ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC12CCC2 ZINC000824947473 608207120 /nfs/dbraw/zinc/20/71/20/608207120.db2.gz NUTDKURBOGFGLN-NSHDSACASA-N -1 3 392.410 3.512 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC12CCC2 ZINC000824947473 608207121 /nfs/dbraw/zinc/20/71/21/608207121.db2.gz NUTDKURBOGFGLN-NSHDSACASA-N -1 3 392.410 3.512 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc1-c1nnn[n-]1 ZINC000824328949 608208392 /nfs/dbraw/zinc/20/83/92/608208392.db2.gz FLYATXSZRRPWFW-AWEZNQCLSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000824328949 608208393 /nfs/dbraw/zinc/20/83/93/608208393.db2.gz FLYATXSZRRPWFW-AWEZNQCLSA-N -1 3 384.484 3.698 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)n1 ZINC000826320441 608225589 /nfs/dbraw/zinc/22/55/89/608225589.db2.gz QWFUJDGNKKSDRF-OAHLLOKOSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)n1 ZINC000826320441 608225590 /nfs/dbraw/zinc/22/55/90/608225590.db2.gz QWFUJDGNKKSDRF-OAHLLOKOSA-N -1 3 377.477 3.564 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000826422736 608250371 /nfs/dbraw/zinc/25/03/71/608250371.db2.gz KEHZCBOYKDRNJO-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000826422736 608250373 /nfs/dbraw/zinc/25/03/73/608250373.db2.gz KEHZCBOYKDRNJO-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825194207 608260107 /nfs/dbraw/zinc/26/01/07/608260107.db2.gz PNHCVTWEVLFNRB-BBRMVZONSA-N -1 3 393.451 3.849 20 0 GHADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2OC)nnc1-c1cccs1 ZINC000825797141 608260458 /nfs/dbraw/zinc/26/04/58/608260458.db2.gz VQNNDHUSJBZDTA-UHFFFAOYSA-N -1 3 399.505 3.508 20 0 GHADHM CCn1c(SCc2ccc(-c3nn[n-]n3)cc2OC)nnc1-c1cccs1 ZINC000825797141 608260460 /nfs/dbraw/zinc/26/04/60/608260460.db2.gz VQNNDHUSJBZDTA-UHFFFAOYSA-N -1 3 399.505 3.508 20 0 GHADHM O=C(C=C1CCSCC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826400182 608260940 /nfs/dbraw/zinc/26/09/40/608260940.db2.gz RJTCJEXPYWFZDV-UHFFFAOYSA-N -1 3 383.502 3.987 20 0 GHADHM O=C(C=C1CCSCC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826400182 608260941 /nfs/dbraw/zinc/26/09/41/608260941.db2.gz RJTCJEXPYWFZDV-UHFFFAOYSA-N -1 3 383.502 3.987 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncc(-c2ccc(F)cc2)o1 ZINC000826173380 608262746 /nfs/dbraw/zinc/26/27/46/608262746.db2.gz AXSWBTCOTPOYCD-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncc(-c2ccc(F)cc2)o1 ZINC000826173380 608262748 /nfs/dbraw/zinc/26/27/48/608262748.db2.gz AXSWBTCOTPOYCD-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM COc1ccc([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1Br ZINC000826189100 608270575 /nfs/dbraw/zinc/27/05/75/608270575.db2.gz NEQSHKYMZQGYBT-SNVBAGLBSA-N -1 3 389.257 3.514 20 0 GHADHM COc1ccc([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1Br ZINC000826189100 608270576 /nfs/dbraw/zinc/27/05/76/608270576.db2.gz NEQSHKYMZQGYBT-SNVBAGLBSA-N -1 3 389.257 3.514 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000824384857 608303741 /nfs/dbraw/zinc/30/37/41/608303741.db2.gz IFSXKEWSFPTZHL-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824384857 608303743 /nfs/dbraw/zinc/30/37/43/608303743.db2.gz IFSXKEWSFPTZHL-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824516978 608310597 /nfs/dbraw/zinc/31/05/97/608310597.db2.gz ZIEGCICILANFPU-NWDGAFQWSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824516978 608310598 /nfs/dbraw/zinc/31/05/98/608310598.db2.gz ZIEGCICILANFPU-NWDGAFQWSA-N -1 3 389.381 3.808 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825733601 608330823 /nfs/dbraw/zinc/33/08/23/608330823.db2.gz FOXPUMFENDGDJL-HNNXBMFYSA-N -1 3 398.470 3.982 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825733601 608330825 /nfs/dbraw/zinc/33/08/25/608330825.db2.gz FOXPUMFENDGDJL-HNNXBMFYSA-N -1 3 398.470 3.982 20 0 GHADHM Cc1c(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cccc1-c1nnn[n-]1 ZINC000826242066 608338952 /nfs/dbraw/zinc/33/89/52/608338952.db2.gz YIBQTCQCIVAFQP-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM Cc1c(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cccc1-c1nn[n-]n1 ZINC000826242066 608338953 /nfs/dbraw/zinc/33/89/53/608338953.db2.gz YIBQTCQCIVAFQP-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM CCN(C(=O)c1ccc(OC(C)C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385462 608345560 /nfs/dbraw/zinc/34/55/60/608345560.db2.gz GWQLMIKIMWYMDO-UHFFFAOYSA-N -1 3 385.855 3.974 20 0 GHADHM CCN(C(=O)c1ccc(OC(C)C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385462 608345562 /nfs/dbraw/zinc/34/55/62/608345562.db2.gz GWQLMIKIMWYMDO-UHFFFAOYSA-N -1 3 385.855 3.974 20 0 GHADHM CCN(C(=O)c1cnc(C(C)C)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385477 608345730 /nfs/dbraw/zinc/34/57/30/608345730.db2.gz HGIQHHZDMSIVDF-UHFFFAOYSA-N -1 3 376.873 3.767 20 0 GHADHM CCN(C(=O)c1cnc(C(C)C)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385477 608345732 /nfs/dbraw/zinc/34/57/32/608345732.db2.gz HGIQHHZDMSIVDF-UHFFFAOYSA-N -1 3 376.873 3.767 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)sc1Cl ZINC000826171875 608347510 /nfs/dbraw/zinc/34/75/10/608347510.db2.gz BVXFSHLKFZFCCJ-UHFFFAOYSA-N -1 3 385.232 3.601 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)sc1Cl ZINC000826171875 608347512 /nfs/dbraw/zinc/34/75/12/608347512.db2.gz BVXFSHLKFZFCCJ-UHFFFAOYSA-N -1 3 385.232 3.601 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000825577604 608404075 /nfs/dbraw/zinc/40/40/75/608404075.db2.gz YADNCFGJLSAWML-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cccc(-c3nn[n-]n3)c2F)cs1 ZINC000825577604 608404076 /nfs/dbraw/zinc/40/40/76/608404076.db2.gz YADNCFGJLSAWML-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1[nH]c2ccc(F)cc2c1Cl ZINC000826466279 608443863 /nfs/dbraw/zinc/44/38/63/608443863.db2.gz WBMUWNPBPFYWOD-UHFFFAOYSA-N -1 3 389.749 3.637 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1[nH]c2ccc(F)cc2c1Cl ZINC000826466279 608443864 /nfs/dbraw/zinc/44/38/64/608443864.db2.gz WBMUWNPBPFYWOD-UHFFFAOYSA-N -1 3 389.749 3.637 20 0 GHADHM CCN(C(=O)c1cc(F)cc2cccnc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379629 608446117 /nfs/dbraw/zinc/44/61/17/608446117.db2.gz IZWQICDVHOKECV-CYBMUJFWSA-N -1 3 390.422 3.777 20 0 GHADHM CCN(C(=O)c1cc(F)cc2cccnc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379629 608446118 /nfs/dbraw/zinc/44/61/18/608446118.db2.gz IZWQICDVHOKECV-CYBMUJFWSA-N -1 3 390.422 3.777 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826305429 608464444 /nfs/dbraw/zinc/46/44/44/608464444.db2.gz WLFMCEOARZUREJ-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826305429 608464446 /nfs/dbraw/zinc/46/44/46/608464446.db2.gz WLFMCEOARZUREJ-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM Fc1ccc(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826375478 608476025 /nfs/dbraw/zinc/47/60/25/608476025.db2.gz PEIRVUUDAUYXAH-UHFFFAOYSA-N -1 3 398.442 3.631 20 0 GHADHM Fc1ccc(NC(=S)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826375478 608476027 /nfs/dbraw/zinc/47/60/27/608476027.db2.gz PEIRVUUDAUYXAH-UHFFFAOYSA-N -1 3 398.442 3.631 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316372 608478424 /nfs/dbraw/zinc/47/84/24/608478424.db2.gz LZRRPVZTFAHWJV-ZWKOTPCHSA-N -1 3 391.500 3.656 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826316372 608478426 /nfs/dbraw/zinc/47/84/26/608478426.db2.gz LZRRPVZTFAHWJV-ZWKOTPCHSA-N -1 3 391.500 3.656 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826233771 608482099 /nfs/dbraw/zinc/48/20/99/608482099.db2.gz VOEZMTXKRFKBGX-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM Cc1[nH]c2ccccc2c1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826233771 608482100 /nfs/dbraw/zinc/48/21/00/608482100.db2.gz VOEZMTXKRFKBGX-UHFFFAOYSA-N -1 3 384.443 3.586 20 0 GHADHM Cc1ccc2c(CC(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)coc2c1 ZINC000826293539 608483284 /nfs/dbraw/zinc/48/32/84/608483284.db2.gz SRDAABGWUSRDLR-UHFFFAOYSA-N -1 3 399.454 3.780 20 0 GHADHM Cc1ccc2c(CC(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)coc2c1 ZINC000826293539 608483286 /nfs/dbraw/zinc/48/32/86/608483286.db2.gz SRDAABGWUSRDLR-UHFFFAOYSA-N -1 3 399.454 3.780 20 0 GHADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC000826281579 608486784 /nfs/dbraw/zinc/48/67/84/608486784.db2.gz AEDZSGOMIZALTE-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC000826281579 608486785 /nfs/dbraw/zinc/48/67/85/608486785.db2.gz AEDZSGOMIZALTE-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404835 608487197 /nfs/dbraw/zinc/48/71/97/608487197.db2.gz MPYCIKXXQIBWLJ-OWOJBTEDSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404835 608487198 /nfs/dbraw/zinc/48/71/98/608487198.db2.gz MPYCIKXXQIBWLJ-OWOJBTEDSA-N -1 3 389.434 3.725 20 0 GHADHM CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000825132862 608491748 /nfs/dbraw/zinc/49/17/48/608491748.db2.gz DVDXNFXCEVGKDU-HXUWFJFHSA-N -1 3 388.475 3.817 20 0 GHADHM CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000825132862 608491749 /nfs/dbraw/zinc/49/17/49/608491749.db2.gz DVDXNFXCEVGKDU-HXUWFJFHSA-N -1 3 388.475 3.817 20 0 GHADHM C[C@H](NCc1nc2cc(C(F)(F)F)ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635086 608493934 /nfs/dbraw/zinc/49/39/34/608493934.db2.gz YPGPIWDFEKJEHD-JTQLQIEISA-N -1 3 388.353 3.878 20 0 GHADHM CC[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825154879 608499621 /nfs/dbraw/zinc/49/96/21/608499621.db2.gz VMRWDXZLGCUKPH-KRWDZBQOSA-N -1 3 384.461 3.662 20 0 GHADHM CC[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825154879 608499622 /nfs/dbraw/zinc/49/96/22/608499622.db2.gz VMRWDXZLGCUKPH-KRWDZBQOSA-N -1 3 384.461 3.662 20 0 GHADHM CCCCn1nc(C)c(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1Cl ZINC000825301871 608519525 /nfs/dbraw/zinc/51/95/25/608519525.db2.gz RCVCMTKKFXHKRK-UHFFFAOYSA-N -1 3 399.930 3.990 20 0 GHADHM CCCCn1nc(C)c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1Cl ZINC000825301871 608519526 /nfs/dbraw/zinc/51/95/26/608519526.db2.gz RCVCMTKKFXHKRK-UHFFFAOYSA-N -1 3 399.930 3.990 20 0 GHADHM COc1cc(Cl)c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826180100 608526885 /nfs/dbraw/zinc/52/68/85/608526885.db2.gz RWERZJMGQVUPCN-UHFFFAOYSA-N -1 3 378.263 3.814 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(F)cc1F ZINC000824614135 608527552 /nfs/dbraw/zinc/52/75/52/608527552.db2.gz YWKUTBJRXAXYSO-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1F ZINC000824614135 608527553 /nfs/dbraw/zinc/52/75/53/608527553.db2.gz YWKUTBJRXAXYSO-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000826280669 608544662 /nfs/dbraw/zinc/54/46/62/608544662.db2.gz LKMFCXUHSNJHPU-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1Br ZINC000825322477 608547399 /nfs/dbraw/zinc/54/73/99/608547399.db2.gz FGXCZRFQYJHUIS-UHFFFAOYSA-N -1 3 376.258 3.634 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1Br ZINC000825322477 608547401 /nfs/dbraw/zinc/54/74/01/608547401.db2.gz FGXCZRFQYJHUIS-UHFFFAOYSA-N -1 3 376.258 3.634 20 0 GHADHM CCN(Cc1occc1Br)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443949 608550859 /nfs/dbraw/zinc/55/08/59/608550859.db2.gz HLIZDNGRHLCSKT-LLVKDONJSA-N -1 3 376.258 3.805 20 0 GHADHM CCN(Cc1occc1Br)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443949 608550860 /nfs/dbraw/zinc/55/08/60/608550860.db2.gz HLIZDNGRHLCSKT-LLVKDONJSA-N -1 3 376.258 3.805 20 0 GHADHM Cc1ccc2oc(NC3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)nc2c1 ZINC000826295416 608556511 /nfs/dbraw/zinc/55/65/11/608556511.db2.gz GKORNAFHXFQLED-UHFFFAOYSA-N -1 3 391.435 3.513 20 0 GHADHM Cc1ccc2oc(NC3CCC(Oc4ccc(-c5nn[n-]n5)cn4)CC3)nc2c1 ZINC000826295416 608556512 /nfs/dbraw/zinc/55/65/12/608556512.db2.gz GKORNAFHXFQLED-UHFFFAOYSA-N -1 3 391.435 3.513 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1Cl ZINC000820432051 608562911 /nfs/dbraw/zinc/56/29/11/608562911.db2.gz LKAMTWHAXOLHIJ-JTQLQIEISA-N -1 3 379.798 3.972 20 0 GHADHM O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826450611 608575659 /nfs/dbraw/zinc/57/56/59/608575659.db2.gz ULLJNVBFKWNPGT-UHFFFAOYSA-N -1 3 386.818 3.512 20 0 GHADHM O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826450611 608575660 /nfs/dbraw/zinc/57/56/60/608575660.db2.gz ULLJNVBFKWNPGT-UHFFFAOYSA-N -1 3 386.818 3.512 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826402556 608593143 /nfs/dbraw/zinc/59/31/43/608593143.db2.gz WZQLQQWYHCXKDC-CGQZWFTASA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826402556 608593148 /nfs/dbraw/zinc/59/31/48/608593148.db2.gz WZQLQQWYHCXKDC-CGQZWFTASA-N -1 3 395.850 3.563 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000826295638 608717236 /nfs/dbraw/zinc/71/72/36/608717236.db2.gz QQQWXCRSZMANKQ-QGZVFWFLSA-N -1 3 391.504 3.964 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000826295638 608717238 /nfs/dbraw/zinc/71/72/38/608717238.db2.gz QQQWXCRSZMANKQ-QGZVFWFLSA-N -1 3 391.504 3.964 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)o1)[C@@H](c1ccccc1)C2 ZINC000826213114 608740988 /nfs/dbraw/zinc/74/09/88/608740988.db2.gz LKXWQCUNNZQLTA-HXUWFJFHSA-N -1 3 387.443 3.768 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)o1)[C@@H](c1ccccc1)C2 ZINC000826213114 608740990 /nfs/dbraw/zinc/74/09/90/608740990.db2.gz LKXWQCUNNZQLTA-HXUWFJFHSA-N -1 3 387.443 3.768 20 0 GHADHM C[C@@H](CNc1cnccc1-c1nnn[n-]1)Sc1ccc(Br)cc1 ZINC000824433780 608783388 /nfs/dbraw/zinc/78/33/88/608783388.db2.gz HNVHXMZKANSKGF-JTQLQIEISA-N -1 3 391.298 3.617 20 0 GHADHM C[C@@H](CNc1cnccc1-c1nn[n-]n1)Sc1ccc(Br)cc1 ZINC000824433780 608783389 /nfs/dbraw/zinc/78/33/89/608783389.db2.gz HNVHXMZKANSKGF-JTQLQIEISA-N -1 3 391.298 3.617 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H](c1nccs1)c1ccccc1 ZINC000826402105 608822177 /nfs/dbraw/zinc/82/21/77/608822177.db2.gz MYRNLQWOKGDABX-LENZSSGSSA-N -1 3 389.440 3.669 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H](c1nccs1)c1ccccc1 ZINC000826402105 608822179 /nfs/dbraw/zinc/82/21/79/608822179.db2.gz MYRNLQWOKGDABX-LENZSSGSSA-N -1 3 389.440 3.669 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000824753072 608824279 /nfs/dbraw/zinc/82/42/79/608824279.db2.gz BREVFRBGBVFRCM-IAQYHMDHSA-N -1 3 398.385 3.688 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000824753072 608824281 /nfs/dbraw/zinc/82/42/81/608824281.db2.gz BREVFRBGBVFRCM-IAQYHMDHSA-N -1 3 398.385 3.688 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826427121 608827443 /nfs/dbraw/zinc/82/74/43/608827443.db2.gz GTFYLFUWTFHQAO-INIZCTEOSA-N -1 3 387.365 3.767 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826427121 608827445 /nfs/dbraw/zinc/82/74/45/608827445.db2.gz GTFYLFUWTFHQAO-INIZCTEOSA-N -1 3 387.365 3.767 20 0 GHADHM Brc1cccc(-c2c[nH]c(CNc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000823831787 608867633 /nfs/dbraw/zinc/86/76/33/608867633.db2.gz CUMGJMMVMPQNBX-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM c1nc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nn1-c1ccccc1 ZINC000826519590 608886214 /nfs/dbraw/zinc/88/62/14/608886214.db2.gz FURVWBQPIMPJCO-UHFFFAOYSA-N -1 3 395.426 3.693 20 0 GHADHM c1nc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nn1-c1ccccc1 ZINC000826519590 608886217 /nfs/dbraw/zinc/88/62/17/608886217.db2.gz FURVWBQPIMPJCO-UHFFFAOYSA-N -1 3 395.426 3.693 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c(F)c1 ZINC000824019894 609141837 /nfs/dbraw/zinc/14/18/37/609141837.db2.gz SVTNHZCCNVLXRJ-VIFPVBQESA-N -1 3 399.451 3.647 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c(F)c1 ZINC000824019894 609141839 /nfs/dbraw/zinc/14/18/39/609141839.db2.gz SVTNHZCCNVLXRJ-VIFPVBQESA-N -1 3 399.451 3.647 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826183919 609151058 /nfs/dbraw/zinc/15/10/58/609151058.db2.gz FLGWSUWFFATLKF-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826183919 609151059 /nfs/dbraw/zinc/15/10/59/609151059.db2.gz FLGWSUWFFATLKF-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824606981 609151620 /nfs/dbraw/zinc/15/16/20/609151620.db2.gz UUBRQXWEOHYGGN-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824606981 609151621 /nfs/dbraw/zinc/15/16/21/609151621.db2.gz UUBRQXWEOHYGGN-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825076266 609162623 /nfs/dbraw/zinc/16/26/23/609162623.db2.gz UXIHUYHUTAPCQT-OAHLLOKOSA-N -1 3 394.479 3.742 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825076266 609162624 /nfs/dbraw/zinc/16/26/24/609162624.db2.gz UXIHUYHUTAPCQT-OAHLLOKOSA-N -1 3 394.479 3.742 20 0 GHADHM CC(=O)Nc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1Cl ZINC000824000198 609164095 /nfs/dbraw/zinc/16/40/95/609164095.db2.gz YXOPYPMIHKFSPU-QGZVFWFLSA-N -1 3 382.855 3.968 20 0 GHADHM CC(=O)Nc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1Cl ZINC000824000198 609164097 /nfs/dbraw/zinc/16/40/97/609164097.db2.gz YXOPYPMIHKFSPU-QGZVFWFLSA-N -1 3 382.855 3.968 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)o2)c1-c1nnn[n-]1 ZINC000826234494 609165015 /nfs/dbraw/zinc/16/50/15/609165015.db2.gz YZMCQBDOJUFZAT-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)o2)c1-c1nn[n-]n1 ZINC000826234494 609165016 /nfs/dbraw/zinc/16/50/16/609165016.db2.gz YZMCQBDOJUFZAT-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000824347962 609188949 /nfs/dbraw/zinc/18/89/49/609188949.db2.gz UXPPVJGPWLBYHB-WOJBJXKFSA-N -1 3 393.491 3.537 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000824347962 609188951 /nfs/dbraw/zinc/18/89/51/609188951.db2.gz UXPPVJGPWLBYHB-WOJBJXKFSA-N -1 3 393.491 3.537 20 0 GHADHM O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427620 609201598 /nfs/dbraw/zinc/20/15/98/609201598.db2.gz VOLBMFVWLGURGK-KRWDZBQOSA-N -1 3 392.850 3.562 20 0 GHADHM O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427620 609201599 /nfs/dbraw/zinc/20/15/99/609201599.db2.gz VOLBMFVWLGURGK-KRWDZBQOSA-N -1 3 392.850 3.562 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825076922 609215829 /nfs/dbraw/zinc/21/58/29/609215829.db2.gz YZIWUDOYHTUOQI-SCLBCKFNSA-N -1 3 397.504 3.738 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825076922 609215830 /nfs/dbraw/zinc/21/58/30/609215830.db2.gz YZIWUDOYHTUOQI-SCLBCKFNSA-N -1 3 397.504 3.738 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)c2)n1 ZINC000826264953 609276975 /nfs/dbraw/zinc/27/69/75/609276975.db2.gz HINVSNAFSQKRAZ-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)c2)n1 ZINC000826264953 609276976 /nfs/dbraw/zinc/27/69/76/609276976.db2.gz HINVSNAFSQKRAZ-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2(C)CCCCCC2)cc1-c1nnn[n-]1 ZINC000825531212 609283578 /nfs/dbraw/zinc/28/35/78/609283578.db2.gz HOQPXUJANWUAQY-UHFFFAOYSA-N -1 3 386.456 3.734 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C2(C)CCCCCC2)cc1-c1nn[n-]n1 ZINC000825531212 609283579 /nfs/dbraw/zinc/28/35/79/609283579.db2.gz HOQPXUJANWUAQY-UHFFFAOYSA-N -1 3 386.456 3.734 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1csc(-c2cccc3ccccc32)n1 ZINC000826453087 609317142 /nfs/dbraw/zinc/31/71/42/609317142.db2.gz VGUWYWUQYUYOCJ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1csc(-c2cccc3ccccc32)n1 ZINC000826453087 609317144 /nfs/dbraw/zinc/31/71/44/609317144.db2.gz VGUWYWUQYUYOCJ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCC2(CCC2)C1 ZINC000826474186 609330073 /nfs/dbraw/zinc/33/00/73/609330073.db2.gz FDASRQWTZSMHCW-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCC2(CCC2)C1 ZINC000826474186 609330074 /nfs/dbraw/zinc/33/00/74/609330074.db2.gz FDASRQWTZSMHCW-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824087335 609347448 /nfs/dbraw/zinc/34/74/48/609347448.db2.gz SYZBPURVWBYHRZ-ZDUSSCGKSA-N -1 3 399.417 3.507 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824087335 609347450 /nfs/dbraw/zinc/34/74/50/609347450.db2.gz SYZBPURVWBYHRZ-ZDUSSCGKSA-N -1 3 399.417 3.507 20 0 GHADHM COCCC[C@@H](C)C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826156167 609353746 /nfs/dbraw/zinc/35/37/46/609353746.db2.gz RUPOZAZHRWCRPH-OAHLLOKOSA-N -1 3 380.448 3.640 20 0 GHADHM COCCC[C@@H](C)C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826156167 609353748 /nfs/dbraw/zinc/35/37/48/609353748.db2.gz RUPOZAZHRWCRPH-OAHLLOKOSA-N -1 3 380.448 3.640 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826286058 609356107 /nfs/dbraw/zinc/35/61/07/609356107.db2.gz RDDGNAJNZMEUDQ-BEVDRBHNSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826286058 609356110 /nfs/dbraw/zinc/35/61/10/609356110.db2.gz RDDGNAJNZMEUDQ-BEVDRBHNSA-N -1 3 392.459 3.947 20 0 GHADHM Fc1ccc(C2(NCc3ccc(-c4nn[n-]n4)cc3Br)CC2)cc1 ZINC000826374001 609365568 /nfs/dbraw/zinc/36/55/68/609365568.db2.gz HRPCUZLKFXSKIW-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM COC(=O)[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1cccc(Cl)c1Cl ZINC000826117196 609376692 /nfs/dbraw/zinc/37/66/92/609376692.db2.gz JAZBPVUNDNPKPK-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1cccc(Cl)c1Cl ZINC000826117196 609376694 /nfs/dbraw/zinc/37/66/94/609376694.db2.gz JAZBPVUNDNPKPK-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826454476 609381895 /nfs/dbraw/zinc/38/18/95/609381895.db2.gz YDMKWSUZXLESGO-ZDUSSCGKSA-N -1 3 398.417 3.947 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826454476 609381897 /nfs/dbraw/zinc/38/18/97/609381897.db2.gz YDMKWSUZXLESGO-ZDUSSCGKSA-N -1 3 398.417 3.947 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824883634 609387869 /nfs/dbraw/zinc/38/78/69/609387869.db2.gz IECAFOARBUDOPS-LSDHHAIUSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824883634 609387871 /nfs/dbraw/zinc/38/78/71/609387871.db2.gz IECAFOARBUDOPS-LSDHHAIUSA-N -1 3 394.431 3.631 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000826375153 609388234 /nfs/dbraw/zinc/38/82/34/609388234.db2.gz BLCYDJMVSMQROC-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000826375153 609388236 /nfs/dbraw/zinc/38/82/36/609388236.db2.gz BLCYDJMVSMQROC-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1O ZINC000826299455 609393004 /nfs/dbraw/zinc/39/30/04/609393004.db2.gz GFRSMMUZDHVPNG-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1O ZINC000826299455 609393006 /nfs/dbraw/zinc/39/30/06/609393006.db2.gz GFRSMMUZDHVPNG-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825184253 609396775 /nfs/dbraw/zinc/39/67/75/609396775.db2.gz ROWYPOLXERAWEI-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825184253 609396778 /nfs/dbraw/zinc/39/67/78/609396778.db2.gz ROWYPOLXERAWEI-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@@H](C)NC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825068451 609443388 /nfs/dbraw/zinc/44/33/88/609443388.db2.gz RWJYYCBIHQBUDW-KGLIPLIRSA-N -1 3 380.521 3.857 20 0 GHADHM CC[C@@H](C)NC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825068451 609443392 /nfs/dbraw/zinc/44/33/92/609443392.db2.gz RWJYYCBIHQBUDW-KGLIPLIRSA-N -1 3 380.521 3.857 20 0 GHADHM CCc1noc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825771750 609450718 /nfs/dbraw/zinc/45/07/18/609450718.db2.gz PLTZGVPVRJBNKU-KGLIPLIRSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1noc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825771750 609450720 /nfs/dbraw/zinc/45/07/20/609450720.db2.gz PLTZGVPVRJBNKU-KGLIPLIRSA-N -1 3 389.463 3.891 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@H](CC1CCC1)c1ccccc1 ZINC000826440494 609453304 /nfs/dbraw/zinc/45/33/04/609453304.db2.gz OGSDIDVAKORCMZ-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@H](CC1CCC1)c1ccccc1 ZINC000826440494 609453306 /nfs/dbraw/zinc/45/33/06/609453306.db2.gz OGSDIDVAKORCMZ-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM Cc1ccnn1-c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826315440 609484040 /nfs/dbraw/zinc/48/40/40/609484040.db2.gz JURADHVSHAYHEA-UHFFFAOYSA-N -1 3 397.389 3.574 20 0 GHADHM Cc1ccnn1-c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826315440 609484041 /nfs/dbraw/zinc/48/40/41/609484041.db2.gz JURADHVSHAYHEA-UHFFFAOYSA-N -1 3 397.389 3.574 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@H]3C[C@H]3C)o2)cc1-c1nnn[n-]1 ZINC000825552571 609489667 /nfs/dbraw/zinc/48/96/67/609489667.db2.gz AGIREHZGSNJFPN-RISCZKNCSA-N -1 3 382.424 3.764 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@H]3C[C@H]3C)o2)cc1-c1nn[n-]n1 ZINC000825552571 609489668 /nfs/dbraw/zinc/48/96/68/609489668.db2.gz AGIREHZGSNJFPN-RISCZKNCSA-N -1 3 382.424 3.764 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCc1cccc(F)c1F ZINC000826176394 609490260 /nfs/dbraw/zinc/49/02/60/609490260.db2.gz NKGQUPDKRIGKPG-UHFFFAOYSA-N -1 3 392.431 3.508 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCc1cccc(F)c1F ZINC000826176394 609490262 /nfs/dbraw/zinc/49/02/62/609490262.db2.gz NKGQUPDKRIGKPG-UHFFFAOYSA-N -1 3 392.431 3.508 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1ccccc1-c1nnn[n-]1 ZINC000824010345 609491877 /nfs/dbraw/zinc/49/18/77/609491877.db2.gz JXQMJOZNBCFREG-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)cc(F)c1OCc1ccccc1-c1nn[n-]n1 ZINC000824010345 609491878 /nfs/dbraw/zinc/49/18/78/609491878.db2.gz JXQMJOZNBCFREG-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(C)Oc1ccc(NC2CCN(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000824329929 609492034 /nfs/dbraw/zinc/49/20/34/609492034.db2.gz YFCUHDMZHUCSCO-UHFFFAOYSA-N -1 3 378.480 3.735 20 0 GHADHM CC(C)Oc1ccc(NC2CCN(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000824329929 609492036 /nfs/dbraw/zinc/49/20/36/609492036.db2.gz YFCUHDMZHUCSCO-UHFFFAOYSA-N -1 3 378.480 3.735 20 0 GHADHM Cc1cc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)nn1[C@@H](C)C1CC1 ZINC000826270140 609492909 /nfs/dbraw/zinc/49/29/09/609492909.db2.gz MVBQTGLZLXUGQV-LBPRGKRZSA-N -1 3 397.487 3.543 20 0 GHADHM Cc1cc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)nn1[C@@H](C)C1CC1 ZINC000826270140 609492912 /nfs/dbraw/zinc/49/29/12/609492912.db2.gz MVBQTGLZLXUGQV-LBPRGKRZSA-N -1 3 397.487 3.543 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826452595 609509372 /nfs/dbraw/zinc/50/93/72/609509372.db2.gz YVUIGQSXDVGIMA-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826452595 609509373 /nfs/dbraw/zinc/50/93/73/609509373.db2.gz YVUIGQSXDVGIMA-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@@H](C)[C@H](C)CC ZINC000825604682 609510090 /nfs/dbraw/zinc/51/00/90/609510090.db2.gz JOVWTSZUHDCSMY-ZJUUUORDSA-N -1 3 397.273 3.616 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H](C)[C@@H](C)CC ZINC000825604681 609510043 /nfs/dbraw/zinc/51/00/43/609510043.db2.gz JOVWTSZUHDCSMY-VHSXEESVSA-N -1 3 397.273 3.616 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H](C)[C@@H](C)CC ZINC000825604681 609510044 /nfs/dbraw/zinc/51/00/44/609510044.db2.gz JOVWTSZUHDCSMY-VHSXEESVSA-N -1 3 397.273 3.616 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@@H](C)[C@H](C)CC ZINC000825604682 609510088 /nfs/dbraw/zinc/51/00/88/609510088.db2.gz JOVWTSZUHDCSMY-ZJUUUORDSA-N -1 3 397.273 3.616 20 0 GHADHM CCOc1ccc([C@H]2CCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000825638438 609524287 /nfs/dbraw/zinc/52/42/87/609524287.db2.gz LJMQEOIDHVOYHU-MRXNPFEDSA-N -1 3 384.871 3.964 20 0 GHADHM CCOc1ccc([C@H]2CCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000825638438 609524289 /nfs/dbraw/zinc/52/42/89/609524289.db2.gz LJMQEOIDHVOYHU-MRXNPFEDSA-N -1 3 384.871 3.964 20 0 GHADHM Cc1c(Cl)cnc(NCc2csc(Br)c2)c1-c1nnn[n-]1 ZINC000826240360 609535349 /nfs/dbraw/zinc/53/53/49/609535349.db2.gz OWJGDZFBLVPDMO-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM Cc1c(Cl)cnc(NCc2csc(Br)c2)c1-c1nn[n-]n1 ZINC000826240360 609535350 /nfs/dbraw/zinc/53/53/50/609535350.db2.gz OWJGDZFBLVPDMO-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM CN(C(=O)c1cccc(Br)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000825829380 609536728 /nfs/dbraw/zinc/53/67/28/609536728.db2.gz DJBHUERTTSBERU-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cccc(Br)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000825829380 609536731 /nfs/dbraw/zinc/53/67/31/609536731.db2.gz DJBHUERTTSBERU-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Cc1cc(C(=O)N(C)C2CCCCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256797 609543726 /nfs/dbraw/zinc/54/37/26/609543726.db2.gz ALAYSIULGGBPNJ-UHFFFAOYSA-N -1 3 393.495 3.546 20 0 GHADHM Cc1cc(C(=O)N(C)C2CCCCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256797 609543728 /nfs/dbraw/zinc/54/37/28/609543728.db2.gz ALAYSIULGGBPNJ-UHFFFAOYSA-N -1 3 393.495 3.546 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826237688 609553051 /nfs/dbraw/zinc/55/30/51/609553051.db2.gz IOACHNZTSFOABF-AWEZNQCLSA-N -1 3 376.798 3.843 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826237688 609553054 /nfs/dbraw/zinc/55/30/54/609553054.db2.gz IOACHNZTSFOABF-AWEZNQCLSA-N -1 3 376.798 3.843 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1-c1nnn[n-]1 ZINC000825688238 609555700 /nfs/dbraw/zinc/55/57/00/609555700.db2.gz ULAIBGKPFDYVLM-HNNXBMFYSA-N -1 3 397.504 3.945 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1-c1nn[n-]n1 ZINC000825688238 609555703 /nfs/dbraw/zinc/55/57/03/609555703.db2.gz ULAIBGKPFDYVLM-HNNXBMFYSA-N -1 3 397.504 3.945 20 0 GHADHM Cc1ccnc(N2CC=C(c3ccccc3C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000826309996 609577286 /nfs/dbraw/zinc/57/72/86/609577286.db2.gz IPAWMVGQADNQLI-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM Cc1ccnc(N2CC=C(c3ccccc3C(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000826309996 609577288 /nfs/dbraw/zinc/57/72/88/609577288.db2.gz IPAWMVGQADNQLI-UHFFFAOYSA-N -1 3 386.381 3.883 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2CC(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000826237471 609585699 /nfs/dbraw/zinc/58/56/99/609585699.db2.gz AZGFYJIHAMUMTQ-LLVKDONJSA-N -1 3 388.884 3.527 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2CC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000826237471 609585701 /nfs/dbraw/zinc/58/57/01/609585701.db2.gz AZGFYJIHAMUMTQ-LLVKDONJSA-N -1 3 388.884 3.527 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)nc1Cl ZINC000826465331 609613668 /nfs/dbraw/zinc/61/36/68/609613668.db2.gz IFZZDPKGBLKXCE-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)nc1Cl ZINC000826465331 609613669 /nfs/dbraw/zinc/61/36/69/609613669.db2.gz IFZZDPKGBLKXCE-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164901873 721498466 /nfs/dbraw/zinc/49/84/66/721498466.db2.gz WSWVBGRAHMUGOM-YNEHKIRRSA-N -1 3 389.899 3.995 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]2CCCO[C@H]21 ZINC000462497205 837464079 /nfs/dbraw/zinc/46/40/79/837464079.db2.gz WFVWIQRNVKXSFD-ZLKJLUDKSA-N -1 3 397.846 3.841 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCCO[C@H]21 ZINC000462497197 837464107 /nfs/dbraw/zinc/46/41/07/837464107.db2.gz WFVWIQRNVKXSFD-LERXQTSPSA-N -1 3 397.846 3.841 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(C)o2)C(F)(F)F)c1 ZINC000655659940 837552986 /nfs/dbraw/zinc/55/29/86/837552986.db2.gz FKICOGFLYNJQQP-HNNXBMFYSA-N -1 3 375.368 3.763 20 0 GHADHM O=C(CCc1cccc(C(F)(F)F)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320691 837682573 /nfs/dbraw/zinc/68/25/73/837682573.db2.gz RHLGULYRPSNJRN-UHFFFAOYSA-N -1 3 379.382 3.718 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)OC)c2)cc1 ZINC000414398038 837727091 /nfs/dbraw/zinc/72/70/91/837727091.db2.gz STRALKIGEDLKEP-AWEZNQCLSA-N -1 3 377.462 3.553 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc(C(F)(F)F)ccc1F ZINC000605590323 837732687 /nfs/dbraw/zinc/73/26/87/837732687.db2.gz YHJGFLNWKDHDLE-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000583449545 834398831 /nfs/dbraw/zinc/39/88/31/834398831.db2.gz OINTXROYGJMJKO-HNNXBMFYSA-N -1 3 375.881 3.643 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000531125916 834442699 /nfs/dbraw/zinc/44/26/99/834442699.db2.gz HACGFPIWHYHWSC-UHFFFAOYSA-N -1 3 381.413 3.826 20 0 GHADHM O=c1[n-]c([C@@H]2CCCN(CCCCOc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000583529055 834574482 /nfs/dbraw/zinc/57/44/82/834574482.db2.gz WUVDYHWCFNSNGE-CYBMUJFWSA-N -1 3 384.402 3.568 20 0 GHADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000093944520 834711548 /nfs/dbraw/zinc/71/15/48/834711548.db2.gz IRFAYQBDKOZSEY-UHFFFAOYSA-N -1 3 379.931 3.580 20 0 GHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000536086543 834752593 /nfs/dbraw/zinc/75/25/93/834752593.db2.gz QJKKLJNBIXOIGJ-GFCCVEGCSA-N -1 3 392.527 3.811 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C(F)(F)c1ccccc1OCC ZINC000181041945 837804986 /nfs/dbraw/zinc/80/49/86/837804986.db2.gz IVYWEQIKDHVKDL-UHFFFAOYSA-N -1 3 382.363 3.543 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000177171649 837816904 /nfs/dbraw/zinc/81/69/04/837816904.db2.gz IKPYYECANTWUMZ-AWEZNQCLSA-N -1 3 376.859 3.921 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2)cc(=O)[n-]1 ZINC000547650033 834874549 /nfs/dbraw/zinc/87/45/49/834874549.db2.gz HNDOLGXXHGCWLD-GFCCVEGCSA-N -1 3 378.436 3.969 20 0 GHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472325908 834893947 /nfs/dbraw/zinc/89/39/47/834893947.db2.gz KPHBRWIVKSWYSG-GFCCVEGCSA-N -1 3 393.436 3.635 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000683172364 834915124 /nfs/dbraw/zinc/91/51/24/834915124.db2.gz XFHDGWIYHVBMNR-KRWDZBQOSA-N -1 3 383.366 3.942 20 0 GHADHM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000431831686 837834888 /nfs/dbraw/zinc/83/48/88/837834888.db2.gz DAVFZGBQPITGSV-UHFFFAOYSA-N -1 3 396.896 3.635 20 0 GHADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000685512738 835053192 /nfs/dbraw/zinc/05/31/92/835053192.db2.gz ICVKZRDZWCCZST-AWEZNQCLSA-N -1 3 377.890 3.579 20 0 GHADHM O=C(OCC[C@H]1CCCCO1)c1n[n-]c(-c2ccccc2)c1Br ZINC000784935685 835071490 /nfs/dbraw/zinc/07/14/90/835071490.db2.gz FLPSIGXPNPAXLC-CYBMUJFWSA-N -1 3 379.254 3.955 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1nc(C(F)(F)F)cs1 ZINC000278462090 835144747 /nfs/dbraw/zinc/14/47/47/835144747.db2.gz XYZKOYCEVKRRGG-SSDOTTSWSA-N -1 3 386.367 3.621 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN4C[C@@H]5CCC[C@@H]5C4)nc(=O)c3s2)cc1 ZINC000152837071 835163288 /nfs/dbraw/zinc/16/32/88/835163288.db2.gz PHUWJJIVGMFORB-GASCZTMLSA-N -1 3 381.501 3.892 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cnn1-c1ccccc1F ZINC000254927750 835234993 /nfs/dbraw/zinc/23/49/93/835234993.db2.gz JCGHPPDAWGWWJX-KHPPLWFESA-N -1 3 375.400 3.872 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(-c2ccccc2)n1)N1CCc2sccc2C1 ZINC000583921854 835256755 /nfs/dbraw/zinc/25/67/55/835256755.db2.gz DFTWBMCEJHBSQM-UHFFFAOYSA-N -1 3 397.525 3.729 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000611798757 835358541 /nfs/dbraw/zinc/35/85/41/835358541.db2.gz VPTLYTOFWNNETO-MRXNPFEDSA-N -1 3 384.501 3.539 20 0 GHADHM CC(C)(C)c1cc(NC(=O)NCc2ncccc2[O-])n(Cc2ccccc2)n1 ZINC000471171711 835399924 /nfs/dbraw/zinc/39/99/24/835399924.db2.gz AETDBBJVFMZRNX-UHFFFAOYSA-N -1 3 379.464 3.651 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151522779 835486985 /nfs/dbraw/zinc/48/69/85/835486985.db2.gz SSQBVVWUPGOVFP-GFCCVEGCSA-N -1 3 378.266 3.973 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)C1 ZINC000448158876 835505556 /nfs/dbraw/zinc/50/55/56/835505556.db2.gz WATMCMOBQJFKIB-XLIONFOSSA-N -1 3 387.487 3.523 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)c([O-])c1 ZINC000536203711 835510458 /nfs/dbraw/zinc/51/04/58/835510458.db2.gz IGCFFNRAWDLVIS-KRWDZBQOSA-N -1 3 394.830 3.603 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Br)cs1 ZINC000151573457 835543458 /nfs/dbraw/zinc/54/34/58/835543458.db2.gz SNARATUOBIAPQQ-UHFFFAOYSA-N -1 3 391.084 3.909 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC([O-])=NO[C@H]3CCCCO3)ccc21 ZINC000274809338 835564188 /nfs/dbraw/zinc/56/41/88/835564188.db2.gz UOVBAEFELVYBGK-INIZCTEOSA-N -1 3 377.441 3.564 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[N-]O[C@H]3CCCCO3)ccc21 ZINC000274809338 835564195 /nfs/dbraw/zinc/56/41/95/835564195.db2.gz UOVBAEFELVYBGK-INIZCTEOSA-N -1 3 377.441 3.564 20 0 GHADHM CC(C)c1noc2ncc(C(=O)NCc3ccc([O-])c(Br)c3)cc21 ZINC000151637886 835671599 /nfs/dbraw/zinc/67/15/99/835671599.db2.gz YSLFRBZQKYMNQB-UHFFFAOYSA-N -1 3 390.237 3.744 20 0 GHADHM CCOc1ccc(-c2noc(CO[N-]C(=O)CCCc3ccccc3)n2)cc1 ZINC000177057925 835677547 /nfs/dbraw/zinc/67/75/47/835677547.db2.gz YTCOXRKVADTLDT-UHFFFAOYSA-N -1 3 381.432 3.706 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(C)CCCC3)cs2)c1 ZINC000509874580 844079655 /nfs/dbraw/zinc/07/96/55/844079655.db2.gz NXFTVQCALYCPEY-UHFFFAOYSA-N -1 3 387.505 3.648 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)nc1 ZINC000683260904 835780316 /nfs/dbraw/zinc/78/03/16/835780316.db2.gz GEKSEOJCAPEMRQ-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)n2)cc1 ZINC000472410113 836056901 /nfs/dbraw/zinc/05/69/01/836056901.db2.gz XLZVGCWVYMTGDA-CYBMUJFWSA-N -1 3 388.427 3.632 20 0 GHADHM Cc1cc(Br)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Cl ZINC000569955946 836194809 /nfs/dbraw/zinc/19/48/09/836194809.db2.gz GVTLLCWJVITCKE-ZDUSSCGKSA-N -1 3 384.661 3.660 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000548931322 836251738 /nfs/dbraw/zinc/25/17/38/836251738.db2.gz LQEWKVVVRNIKSW-UHFFFAOYSA-N -1 3 380.473 3.759 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)cc1OC ZINC000180818129 836273343 /nfs/dbraw/zinc/27/33/43/836273343.db2.gz GBLUTGSVRFJJAY-HNNXBMFYSA-N -1 3 390.505 3.583 20 0 GHADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000376294807 836414685 /nfs/dbraw/zinc/41/46/85/836414685.db2.gz VLQDIHMNBGCRBD-GTCCEBARSA-N -1 3 376.456 3.609 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(-c3nnc(C)o3)c1)c2=O ZINC000174331922 836438667 /nfs/dbraw/zinc/43/86/67/836438667.db2.gz FNIFCRMOPUDFJW-UHFFFAOYSA-N -1 3 376.372 3.560 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Cl)cc1Br ZINC000473327072 844200302 /nfs/dbraw/zinc/20/03/02/844200302.db2.gz ZPKPZJLSNHCWSG-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM CCN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000613517131 836884601 /nfs/dbraw/zinc/88/46/01/836884601.db2.gz ZIRPCHINEYOAME-LJQANCHMSA-N -1 3 375.472 3.677 20 0 GHADHM COc1cc2c(cc1OC)CCN(Cc1cccc(C(=O)[O-])c1Cl)CC2 ZINC000570457028 836895207 /nfs/dbraw/zinc/89/52/07/836895207.db2.gz VZEHNUACBZNKOT-UHFFFAOYSA-N -1 3 375.852 3.656 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1nc(Cc2ccccc2)no1 ZINC000175706448 836968003 /nfs/dbraw/zinc/96/80/03/836968003.db2.gz UEFKSNSFGPKOIV-HNNXBMFYSA-N -1 3 393.468 3.853 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)c(C)c3)c2)[n-]1 ZINC000432884388 844223369 /nfs/dbraw/zinc/22/33/69/844223369.db2.gz NPUPWTIOFCMYKZ-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)c(C)c3)c2)n[n-]1 ZINC000432884388 844223373 /nfs/dbraw/zinc/22/33/73/844223373.db2.gz NPUPWTIOFCMYKZ-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)ccc1F ZINC000549058210 837009480 /nfs/dbraw/zinc/00/94/80/837009480.db2.gz WXKYKHGCORTRBC-JKSUJKDBSA-N -1 3 399.447 3.588 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c(Cl)c1Cl ZINC000548979819 837139694 /nfs/dbraw/zinc/13/96/94/837139694.db2.gz MUMPWTQCKNHQFH-UHFFFAOYSA-N -1 3 380.215 3.869 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3F)cc2C[C@@H]1C ZINC000650218042 837161936 /nfs/dbraw/zinc/16/19/36/837161936.db2.gz MKWPQIONIJNOLX-JTQLQIEISA-N -1 3 398.406 3.862 20 0 GHADHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000782793496 837205436 /nfs/dbraw/zinc/20/54/36/837205436.db2.gz RVUMVFUKQZXKGD-SJCJKPOMSA-N -1 3 375.371 3.579 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(F)cc3-c3cnn(C)c3)c[n-]c12 ZINC000376438522 837239148 /nfs/dbraw/zinc/23/91/48/837239148.db2.gz ZCQAPUCBBVMCOZ-UHFFFAOYSA-N -1 3 394.381 3.768 20 0 GHADHM NS(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)s1 ZINC000500953151 844267029 /nfs/dbraw/zinc/26/70/29/844267029.db2.gz IAXPMRCUXMXCKS-UHFFFAOYSA-N -1 3 392.433 3.579 20 0 GHADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000579962097 838082180 /nfs/dbraw/zinc/08/21/80/838082180.db2.gz VDVJQAZJUPKDHP-SFHVURJKSA-N -1 3 387.863 3.555 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000024537130 838343519 /nfs/dbraw/zinc/34/35/19/838343519.db2.gz GUBDWJWVWIJTSL-UHFFFAOYSA-N -1 3 390.480 3.816 20 0 GHADHM CC[C@@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 ZINC000179566037 838389777 /nfs/dbraw/zinc/38/97/77/838389777.db2.gz QBDHRHMYLIVCEG-CQSZACIVSA-N -1 3 381.259 3.957 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)c2cc(C3CC3)no2)sc2c1CCOC2 ZINC000416026164 838414751 /nfs/dbraw/zinc/41/47/51/838414751.db2.gz WGXIUGXMKDHRBB-UHFFFAOYSA-N -1 3 390.461 3.894 20 0 GHADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1 ZINC000031721601 838471211 /nfs/dbraw/zinc/47/12/11/838471211.db2.gz UYTPNXBIDKDTBR-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2F)ccc1Br ZINC000180020021 838495467 /nfs/dbraw/zinc/49/54/67/838495467.db2.gz VBIZADBDISEBNS-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccco1 ZINC000178918983 838496646 /nfs/dbraw/zinc/49/66/46/838496646.db2.gz FAZCVXBXAQPMCA-NRFANRHFSA-N -1 3 394.452 3.904 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)cc1C ZINC000610336262 838533713 /nfs/dbraw/zinc/53/37/13/838533713.db2.gz LLYVESHBQWBSDV-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c12 ZINC000119278024 838540280 /nfs/dbraw/zinc/54/02/80/838540280.db2.gz VUNNRQGXDZGVMU-UHFFFAOYSA-N -1 3 399.414 3.574 20 0 GHADHM CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179406080 838542077 /nfs/dbraw/zinc/54/20/77/838542077.db2.gz GMRRJDDGNXFQJI-UHFFFAOYSA-N -1 3 379.416 3.603 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2SC)c1C ZINC000548042407 838669010 /nfs/dbraw/zinc/66/90/10/838669010.db2.gz ASTIWFUVCWNMMS-UHFFFAOYSA-N -1 3 385.894 3.958 20 0 GHADHM CC1(C)CN(CC[C@@H](C(=O)[O-])c2ccccc2)C[C@@H](COc2ccccc2)O1 ZINC000659796016 838681986 /nfs/dbraw/zinc/68/19/86/838681986.db2.gz YOOLJGSEOBXXJN-LEWJYISDSA-N -1 3 383.488 3.803 20 0 GHADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)c1 ZINC000580043749 838687359 /nfs/dbraw/zinc/68/73/59/838687359.db2.gz DTZXALYZCAPCMZ-CTYIDZIISA-N -1 3 398.409 3.833 20 0 GHADHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549412928 838788271 /nfs/dbraw/zinc/78/82/71/838788271.db2.gz FPXRTUQHMJCMMC-INIZCTEOSA-N -1 3 389.464 3.556 20 0 GHADHM C[C@H](C(=O)Nc1cccc2ccccc21)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000580073206 838810246 /nfs/dbraw/zinc/81/02/46/838810246.db2.gz CGUXQQJIPAXAPA-HBGVWJBISA-N -1 3 388.467 3.967 20 0 GHADHM COc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182874531 838836876 /nfs/dbraw/zinc/83/68/76/838836876.db2.gz BRKVCSJKAQUAAB-OAQYLSRUSA-N -1 3 390.439 3.901 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3ccco3)no2)c1 ZINC000580091251 838849374 /nfs/dbraw/zinc/84/93/74/838849374.db2.gz UMCNXVPYWDRCNH-UHFFFAOYSA-N -1 3 385.376 3.937 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416284959 838891287 /nfs/dbraw/zinc/89/12/87/838891287.db2.gz GNPVNDFZBSOOAH-OALUTQOASA-N -1 3 396.535 3.746 20 0 GHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212118 838912696 /nfs/dbraw/zinc/91/26/96/838912696.db2.gz VOFQLTSJPZMJSQ-UHFFFAOYSA-N -1 3 394.500 3.866 20 0 GHADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213119 838920384 /nfs/dbraw/zinc/92/03/84/838920384.db2.gz PFPUQKQPNBFEPX-UHFFFAOYSA-N -1 3 392.893 3.922 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3CC(C)C3)c2)cc1 ZINC001167735642 838943236 /nfs/dbraw/zinc/94/32/36/838943236.db2.gz IWPSMOMBQMUUMS-UHFFFAOYSA-N -1 3 386.517 3.880 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(SC(F)F)cc2)cc1 ZINC000049996045 839003023 /nfs/dbraw/zinc/00/30/23/839003023.db2.gz XWBPBHLJHWARDI-UHFFFAOYSA-N -1 3 387.429 3.730 20 0 GHADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000183788468 839079012 /nfs/dbraw/zinc/07/90/12/839079012.db2.gz KDVMCPKZABIQNC-KKSFZXQISA-N -1 3 380.488 3.948 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(Cl)nc1 ZINC000183069761 839215777 /nfs/dbraw/zinc/21/57/77/839215777.db2.gz JMQPDHYDZDOVKW-GOSISDBHSA-N -1 3 395.846 3.941 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000466927113 839303025 /nfs/dbraw/zinc/30/30/25/839303025.db2.gz OXLQWZKJQMBVDC-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM COc1cc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC(C)C ZINC000042167141 839312431 /nfs/dbraw/zinc/31/24/31/839312431.db2.gz IXMHFFYFOVXCCX-GFCCVEGCSA-N -1 3 385.432 3.800 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)OC)cc2)cc1 ZINC000545366696 839314319 /nfs/dbraw/zinc/31/43/19/839314319.db2.gz YGBOXTMAYHBZRJ-HNNXBMFYSA-N -1 3 391.489 3.628 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnc2n1CCCC2 ZINC000580388797 839456877 /nfs/dbraw/zinc/45/68/77/839456877.db2.gz HOHDPWAHYSTZCC-UHFFFAOYSA-N -1 3 376.247 3.591 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000783028879 839652342 /nfs/dbraw/zinc/65/23/42/839652342.db2.gz PSCPLENMYHELEJ-HNNXBMFYSA-N -1 3 381.432 3.572 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000783028879 839652353 /nfs/dbraw/zinc/65/23/53/839652353.db2.gz PSCPLENMYHELEJ-HNNXBMFYSA-N -1 3 381.432 3.572 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000255626116 839862099 /nfs/dbraw/zinc/86/20/99/839862099.db2.gz IFARXSOESSLGES-WAYWQWQTSA-N -1 3 398.473 3.719 20 0 GHADHM COc1cccc(CO[C@H](C)C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000512550127 844501284 /nfs/dbraw/zinc/50/12/84/844501284.db2.gz CJCJURDTAXBBJM-MRXNPFEDSA-N -1 3 379.460 3.668 20 0 GHADHM COc1ccc([C@H](NCc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2OC)cc1 ZINC000417028988 840386658 /nfs/dbraw/zinc/38/66/58/840386658.db2.gz NEDMHAUTPNLKFV-QFIPXVFZSA-N -1 3 391.471 3.956 20 0 GHADHM O=S(=O)([N-][C@H](CCc1ccccc1)C(F)F)c1ccccc1OC(F)F ZINC000625424183 840416537 /nfs/dbraw/zinc/41/65/37/840416537.db2.gz SDYIQLGSMBHZOY-CYBMUJFWSA-N -1 3 391.386 3.833 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2OCC2CCC2)c(=O)[n-]1 ZINC000188177867 840490741 /nfs/dbraw/zinc/49/07/41/840490741.db2.gz CJBPACSKJNFLOG-UHFFFAOYSA-N -1 3 389.883 3.790 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([O-])c1 ZINC000364052095 840587854 /nfs/dbraw/zinc/58/78/54/840587854.db2.gz NZMXTMBTDKNLIP-AWEZNQCLSA-N -1 3 397.406 3.610 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1 ZINC000549864214 844558298 /nfs/dbraw/zinc/55/82/98/844558298.db2.gz BQWASUOXYPRUEX-HNNXBMFYSA-N -1 3 393.892 3.524 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000462173155 840767338 /nfs/dbraw/zinc/76/73/38/840767338.db2.gz CESODMJPBSDFMR-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000188130275 840872525 /nfs/dbraw/zinc/87/25/25/840872525.db2.gz IRJWLHPLYJYRSS-UHFFFAOYSA-N -1 3 397.258 3.896 20 0 GHADHM Cc1ncc(CO)c(/C=N/Cc2ccc(OCc3cccc(F)c3)cc2)c1[O-] ZINC000026431717 840995444 /nfs/dbraw/zinc/99/54/44/840995444.db2.gz NBVLDJYCAFTYLV-WYMPLXKRSA-N -1 3 380.419 3.925 20 0 GHADHM COc1cc(C[C@@H](NCc2cc(Cl)sc2Cl)C(=O)[O-])cc(OC)c1 ZINC000417577928 841020068 /nfs/dbraw/zinc/02/00/68/841020068.db2.gz XLYCHAHDHRXTKW-CYBMUJFWSA-N -1 3 390.288 3.858 20 0 GHADHM CCOc1ccc(-c2nc(CO[N-]C(=O)CCOc3ccccc3)co2)cc1 ZINC000160844976 841038043 /nfs/dbraw/zinc/03/80/43/841038043.db2.gz IJSSGCOWEBEQJE-UHFFFAOYSA-N -1 3 382.416 3.757 20 0 GHADHM O=C([O-])C[C@H](CNCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(F)(F)F ZINC000417630786 841069155 /nfs/dbraw/zinc/06/91/55/841069155.db2.gz RKZGQSDEIVKQDM-TZMCWYRMSA-N -1 3 395.805 3.641 20 0 GHADHM O=C([O-])C[C@H](CNCc1cc(Br)c(Cl)s1)C(F)(F)F ZINC000417634796 841072861 /nfs/dbraw/zinc/07/28/61/841072861.db2.gz VURVVBIWGWTWAJ-RXMQYKEDSA-N -1 3 380.613 3.907 20 0 GHADHM O=C([N-]c1ccc2c(n1)CCCC2=O)c1sc(Cl)nc1C(F)(F)F ZINC000891370699 841112275 /nfs/dbraw/zinc/11/22/75/841112275.db2.gz FNPYFXWUVKYZEF-UHFFFAOYSA-N -1 3 375.759 3.982 20 0 GHADHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000188434001 841236364 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388.917 3.635 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1nc(Cl)ccc1F ZINC000759816874 841818230 /nfs/dbraw/zinc/81/82/30/841818230.db2.gz BIORIKDKOLXFJM-UHFFFAOYSA-N -1 3 384.816 3.876 20 0 GHADHM C[C@]1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCS1 ZINC000184184837 841901198 /nfs/dbraw/zinc/90/11/98/841901198.db2.gz HFFRAYKMGUBISZ-DENIHFKCSA-N -1 3 398.528 3.655 20 0 GHADHM CNC(=O)[C@@H]1CCCc2sc(/C=C\c3cc(Cl)c([O-])c(OC)c3)nc21 ZINC000549617594 841981324 /nfs/dbraw/zinc/98/13/24/841981324.db2.gz LAIBSLYDCKNJFI-JMEBYUIHSA-N -1 3 378.881 3.847 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)cc2)c(F)cc1C ZINC000585730947 842228024 /nfs/dbraw/zinc/22/80/24/842228024.db2.gz RKOBUUSFDHOCFT-UHFFFAOYSA-N -1 3 383.466 3.834 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC000626234274 842247599 /nfs/dbraw/zinc/24/75/99/842247599.db2.gz RSBAUXCKZRWGHM-HNNXBMFYSA-N -1 3 385.464 3.567 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)nc1C ZINC000033154411 842285340 /nfs/dbraw/zinc/28/53/40/842285340.db2.gz DOLDLYYFSNTOAS-UHFFFAOYSA-N -1 3 375.381 3.675 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000661913375 842317872 /nfs/dbraw/zinc/31/78/72/842317872.db2.gz SZAFSLXCFALJHG-GDBMZVCRSA-N -1 3 375.266 3.900 20 0 GHADHM CCc1cccc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cn2)c1 ZINC000131275546 861296774 /nfs/dbraw/zinc/29/67/74/861296774.db2.gz FSMQNLJLGIVZLQ-UHFFFAOYSA-N -1 3 392.459 3.708 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000247472520 842338453 /nfs/dbraw/zinc/33/84/53/842338453.db2.gz FWAGRTVYZRWTPH-UHFFFAOYSA-N -1 3 388.309 3.522 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000247472520 842338465 /nfs/dbraw/zinc/33/84/65/842338465.db2.gz FWAGRTVYZRWTPH-UHFFFAOYSA-N -1 3 388.309 3.522 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cc(Cl)cn3C)cc2)cc(=O)[n-]1 ZINC000466972909 861302085 /nfs/dbraw/zinc/30/20/85/861302085.db2.gz JSIOUBOIZBTWPT-UHFFFAOYSA-N -1 3 385.855 3.813 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(Br)c(F)cc1F ZINC000430669101 842428476 /nfs/dbraw/zinc/42/84/76/842428476.db2.gz ZKXHXPPFEYFNME-UHFFFAOYSA-N -1 3 378.176 3.792 20 0 GHADHM CCc1noc(C)c1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184335940 842506369 /nfs/dbraw/zinc/50/63/69/842506369.db2.gz CTKWOUUVKSYWOC-LJQANCHMSA-N -1 3 393.443 3.751 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC(F)(F)CC3)nc(=O)c2c1C ZINC000599552548 861324044 /nfs/dbraw/zinc/32/40/44/861324044.db2.gz KMNLBFWASZHMPU-LLVKDONJSA-N -1 3 399.463 3.652 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000603886809 861329530 /nfs/dbraw/zinc/32/95/30/861329530.db2.gz KFINGLMRFMCRNX-ZDUSSCGKSA-N -1 3 396.299 3.964 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(C(C)C)no3)c2)cc1 ZINC000130856577 842699450 /nfs/dbraw/zinc/69/94/50/842699450.db2.gz CZPIPJIFDGQMKI-UHFFFAOYSA-N -1 3 387.461 3.978 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512172093 842725147 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GHADHM COc1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)ccc1OC(F)F ZINC000663260800 842943006 /nfs/dbraw/zinc/94/30/06/842943006.db2.gz FCSAJXAFOBQHQT-UHFFFAOYSA-N -1 3 387.404 3.723 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000730938174 861362146 /nfs/dbraw/zinc/36/21/46/861362146.db2.gz XKKUNGTVOGFOEQ-IBGZPJMESA-N -1 3 399.466 3.619 20 0 GHADHM COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Br)c1[O-] ZINC000254744403 842975564 /nfs/dbraw/zinc/97/55/64/842975564.db2.gz WQPRYDZZIVRMPW-UHFFFAOYSA-N -1 3 383.629 3.581 20 0 GHADHM CC[C@@](NCc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)OC)c1ccccc1 ZINC000512291495 843327142 /nfs/dbraw/zinc/32/71/42/843327142.db2.gz ANINWRSPQCTDDM-QFIPXVFZSA-N -1 3 391.427 3.650 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2C ZINC000432636769 843332129 /nfs/dbraw/zinc/33/21/29/843332129.db2.gz YIPXWIIFKZDCSN-UHFFFAOYSA-N -1 3 386.517 3.921 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1 ZINC000037133022 843441710 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CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000512463475 843884545 /nfs/dbraw/zinc/88/45/45/843884545.db2.gz ORHNMPHCZKFTKU-XJKSGUPXSA-N -1 3 378.350 3.655 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccccc2Cl)[nH][n-]1 ZINC000512858248 843895506 /nfs/dbraw/zinc/89/55/06/843895506.db2.gz YHGFHUISCUDNKL-UHFFFAOYSA-N -1 3 376.243 3.995 20 0 GHADHM C[C@]1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC=CCC1 ZINC000458326441 845008726 /nfs/dbraw/zinc/00/87/26/845008726.db2.gz ZXJSBUUOJHXRLM-FQEVSTJZSA-N -1 3 388.464 3.855 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc([S@@](C)=O)cc3)nc2)n1 ZINC000535889477 845038947 /nfs/dbraw/zinc/03/89/47/845038947.db2.gz XDCJLSKYAQXGME-JGTBNHKDSA-N -1 3 382.489 3.717 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)c1nc(C(F)(F)F)cs1 ZINC000433668679 845174664 /nfs/dbraw/zinc/17/46/64/845174664.db2.gz ZHFCXEMCTCYAIJ-QMMMGPOBSA-N -1 3 385.458 3.665 20 0 GHADHM Cc1cccc(Oc2cc(CNC(=O)NCc3ncccc3[O-])ccn2)c1C ZINC000471999927 845209425 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2cccc(F)c2)c1 ZINC000179508868 861608397 /nfs/dbraw/zinc/60/83/97/861608397.db2.gz XRESRCZLNKJXID-UHFFFAOYSA-N -1 3 397.406 3.745 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)CC3(O)CCCCCC3)cc2)cc(=O)[n-]1 ZINC000548630619 845946079 /nfs/dbraw/zinc/94/60/79/845946079.db2.gz BRTHJAPKWIOUIH-UHFFFAOYSA-N -1 3 384.480 3.707 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000157629158 846019014 /nfs/dbraw/zinc/01/90/14/846019014.db2.gz XRBGRNKBMFVQEN-CQSZACIVSA-N -1 3 378.519 3.566 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1cccc(OC)c1 ZINC001141913633 861644512 /nfs/dbraw/zinc/64/45/12/861644512.db2.gz PROJUMUJNFSGQK-QGZVFWFLSA-N -1 3 389.473 3.547 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 ZINC000648169914 846177751 /nfs/dbraw/zinc/17/77/51/846177751.db2.gz QGRMZHGBCQBVEY-UHFFFAOYSA-N -1 3 386.429 3.794 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)OC2CCCCCC2)c(C(=O)OCC)[n-]1 ZINC001269123965 846184185 /nfs/dbraw/zinc/18/41/85/846184185.db2.gz OTTHHDCDZIBIFL-CQSZACIVSA-N -1 3 379.501 3.995 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000280695187 846493857 /nfs/dbraw/zinc/49/38/57/846493857.db2.gz WZCWIRWXEAKFNN-CQSZACIVSA-N -1 3 385.464 3.839 20 0 GHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1c(Cl)oc2ccccc21 ZINC000277498525 846507865 /nfs/dbraw/zinc/50/78/65/846507865.db2.gz XNJYICYAOCUQEO-LLVKDONJSA-N -1 3 387.745 3.545 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccccc2F)C1)c1cnccc1C(F)(F)F ZINC000481563653 861693536 /nfs/dbraw/zinc/69/35/36/861693536.db2.gz DBZDSCOVGCNZMF-NWDGAFQWSA-N -1 3 388.386 3.854 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccnc(OC(C)C)c3)cc2)cc(=O)[n-]1 ZINC000502864237 846571830 /nfs/dbraw/zinc/57/18/30/846571830.db2.gz SRKJCUALBNEAIM-UHFFFAOYSA-N -1 3 393.447 3.662 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419593183 846680439 /nfs/dbraw/zinc/68/04/39/846680439.db2.gz XDNYTWFIHSWJKO-NSHDSACASA-N -1 3 393.459 3.791 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N2CCCC2)s1 ZINC000503003953 846704490 /nfs/dbraw/zinc/70/44/90/846704490.db2.gz HNIYVNQAIRJEOK-QGZVFWFLSA-N -1 3 387.553 3.651 20 0 GHADHM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000503006393 846708817 /nfs/dbraw/zinc/70/88/17/846708817.db2.gz UAFKCZKPEVEMEJ-MRXNPFEDSA-N -1 3 399.545 3.647 20 0 GHADHM CCCc1n[n-]c(=NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000503158048 846851677 /nfs/dbraw/zinc/85/16/77/846851677.db2.gz BCWMMGPPDIPGJA-CQSZACIVSA-N -1 3 393.582 3.569 20 0 GHADHM COc1ccc2c(c1)[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)CCC2 ZINC000272060073 846981854 /nfs/dbraw/zinc/98/18/54/846981854.db2.gz ITEGSWOLIDXPOH-KRWDZBQOSA-N -1 3 376.478 3.565 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600358150 861741279 /nfs/dbraw/zinc/74/12/79/861741279.db2.gz APJSVXWNHJAKOP-NHYWBVRUSA-N -1 3 398.297 3.595 20 0 GHADHM Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1nc(C)ccc1[O-] ZINC000501777502 847177914 /nfs/dbraw/zinc/17/79/14/847177914.db2.gz ZWTCVXORKCUBRY-HXUWFJFHSA-N -1 3 396.466 3.611 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)[n-]1 ZINC000277615807 847288904 /nfs/dbraw/zinc/28/89/04/847288904.db2.gz GBUAFFKSEAYXFH-GOSISDBHSA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)n[n-]1 ZINC000277615807 847288917 /nfs/dbraw/zinc/28/89/17/847288917.db2.gz GBUAFFKSEAYXFH-GOSISDBHSA-N -1 3 398.507 3.517 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(Cl)ccc1OC(F)F ZINC000420704849 847385019 /nfs/dbraw/zinc/38/50/19/847385019.db2.gz IGEZJYPIRJAPNR-UHFFFAOYSA-N -1 3 379.734 3.562 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC001167580147 847443267 /nfs/dbraw/zinc/44/32/67/847443267.db2.gz BMYFIBIDEXYCFG-QGZVFWFLSA-N -1 3 393.405 3.971 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)c1 ZINC000502175784 847558653 /nfs/dbraw/zinc/55/86/53/847558653.db2.gz NEITVEOSEXKBCG-LBPRGKRZSA-N -1 3 375.471 3.727 20 0 GHADHM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[N-]c1nc2ccccn2n1 ZINC000132853051 847564665 /nfs/dbraw/zinc/56/46/65/847564665.db2.gz HEHLTOJKWZDSOX-UHFFFAOYSA-N -1 3 399.863 3.979 20 0 GHADHM CCCc1ccccc1NC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000421077181 847694969 /nfs/dbraw/zinc/69/49/69/847694969.db2.gz BVVZYRUBCZLOEC-MRXNPFEDSA-N -1 3 388.439 3.637 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(F)cc(Br)cc1F ZINC000421161690 847798186 /nfs/dbraw/zinc/79/81/86/847798186.db2.gz XWXWDIIFLVSMNP-SNVBAGLBSA-N -1 3 386.258 3.530 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccc(C)o1 ZINC000673825615 861833373 /nfs/dbraw/zinc/83/33/73/861833373.db2.gz ZVZGLFKPDKASOW-SFHVURJKSA-N -1 3 398.484 3.899 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1 ZINC000421245673 847904662 /nfs/dbraw/zinc/90/46/62/847904662.db2.gz GZZSZORTGAYJAG-LJQANCHMSA-N -1 3 391.537 3.689 20 0 GHADHM CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000503737712 847928215 /nfs/dbraw/zinc/92/82/15/847928215.db2.gz PJTHMZZTONRQEL-UHFFFAOYSA-N -1 3 399.834 3.725 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)c(C)o1 ZINC000153018085 848028591 /nfs/dbraw/zinc/02/85/91/848028591.db2.gz CMYLUELGVDWUOR-SFHVURJKSA-N -1 3 390.505 3.597 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)c(C)c1 ZINC000728508278 848118724 /nfs/dbraw/zinc/11/87/24/848118724.db2.gz NWNCKUAIKZIETF-UHFFFAOYSA-N -1 3 394.518 3.968 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)c(C)c1 ZINC000731782690 861890742 /nfs/dbraw/zinc/89/07/42/861890742.db2.gz DUDRUQJOAADGBD-UHFFFAOYSA-N -1 3 396.459 3.991 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1 ZINC000582884629 848635619 /nfs/dbraw/zinc/63/56/19/848635619.db2.gz BCPRSPBRQKJFRS-UHFFFAOYSA-N -1 3 383.835 3.615 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000582946250 848737720 /nfs/dbraw/zinc/73/77/20/848737720.db2.gz OWWMPBJKOHMQMJ-LLVKDONJSA-N -1 3 397.846 3.986 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(CSC)cc2)cc1OC ZINC000604187098 861948670 /nfs/dbraw/zinc/94/86/70/861948670.db2.gz FRKIRNMBQSEZOG-UHFFFAOYSA-N -1 3 394.518 3.572 20 0 GHADHM CCc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000192417782 861977467 /nfs/dbraw/zinc/97/74/67/861977467.db2.gz HXYVVGDNSJYAJZ-UHFFFAOYSA-N -1 3 386.395 3.892 20 0 GHADHM C[C@H](c1ncc(-c2ccccc2)o1)[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155257392 849488800 /nfs/dbraw/zinc/48/88/00/849488800.db2.gz OMMWLJSUJKMFQP-GFVXYOJSSA-N -1 3 397.378 3.866 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1CC ZINC000535988702 849557400 /nfs/dbraw/zinc/55/74/00/849557400.db2.gz HWMSHQZQESTJPP-UHFFFAOYSA-N -1 3 387.505 3.896 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1c1ccncc1 ZINC000126304080 849700964 /nfs/dbraw/zinc/70/09/64/849700964.db2.gz IVVCVIGFIWIOAP-HNNXBMFYSA-N -1 3 376.254 3.596 20 0 GHADHM O=C(NCc1ccccc1COCc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503992947 849824606 /nfs/dbraw/zinc/82/46/06/849824606.db2.gz WSQPEGFORSBQBZ-UHFFFAOYSA-N -1 3 390.418 3.744 20 0 GHADHM CC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000583418093 849847067 /nfs/dbraw/zinc/84/70/67/849847067.db2.gz ZINUSNRUROIELW-UHFFFAOYSA-N -1 3 383.673 3.864 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001269486363 849869474 /nfs/dbraw/zinc/86/94/74/849869474.db2.gz LFNIEJQAGTXDAO-UHFFFAOYSA-N -1 3 378.812 3.617 20 0 GHADHM Cc1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1ccccc1C(C)C ZINC000504074426 849880926 /nfs/dbraw/zinc/88/09/26/849880926.db2.gz DQWURBSATTWWFP-UHFFFAOYSA-N -1 3 386.459 3.763 20 0 GHADHM O=C(c1ccccc1SCc1cccs1)N1CCc2c(=O)[n-]cnc2C1 ZINC000504139423 849932329 /nfs/dbraw/zinc/93/23/29/849932329.db2.gz UYSGYYXPSZBROH-UHFFFAOYSA-N -1 3 383.498 3.735 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccco3)s2)nnn1-c1ccccc1Cl ZINC000504376605 850043089 /nfs/dbraw/zinc/04/30/89/850043089.db2.gz NZAVCXRYCYFLDQ-UHFFFAOYSA-N -1 3 386.824 3.593 20 0 GHADHM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(C(F)(F)F)nc1Cl ZINC000908407963 850082694 /nfs/dbraw/zinc/08/26/94/850082694.db2.gz YYCABQSWSOHWIV-SSDOTTSWSA-N -1 3 386.761 3.618 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3c[nH]nc3-c3ccccn3)cc2)cc(=O)[n-]1 ZINC000504482402 850093696 /nfs/dbraw/zinc/09/36/96/850093696.db2.gz QMXHHAQSGMIDMI-UHFFFAOYSA-N -1 3 387.403 3.587 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000509598718 850095623 /nfs/dbraw/zinc/09/56/23/850095623.db2.gz DOWCOLWVNUPNQO-OAHLLOKOSA-N -1 3 388.292 3.662 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000664470590 850107394 /nfs/dbraw/zinc/10/73/94/850107394.db2.gz DTWFGLGYEKFNNX-KRWDZBQOSA-N -1 3 397.313 3.645 20 0 GHADHM O=C(Nc1ccc(Sc2ccncc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000435144017 850144326 /nfs/dbraw/zinc/14/43/26/850144326.db2.gz YURZQLGZYHCLRS-UHFFFAOYSA-N -1 3 390.424 3.760 20 0 GHADHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510021092 850171016 /nfs/dbraw/zinc/17/10/16/850171016.db2.gz QKMQWEPPQWEZSZ-ZDUSSCGKSA-N -1 3 387.851 3.680 20 0 GHADHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000424062131 850197813 /nfs/dbraw/zinc/19/78/13/850197813.db2.gz GIHOIQGCHWMEEJ-UHFFFAOYSA-N -1 3 379.453 3.573 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000514708960 850198003 /nfs/dbraw/zinc/19/80/03/850198003.db2.gz IAXCWOCDCLVMIH-ICSRJNTNSA-N -1 3 378.472 3.783 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000435214198 850219847 /nfs/dbraw/zinc/21/98/47/850219847.db2.gz RCDLWFCVTWWIOQ-SNVBAGLBSA-N -1 3 390.249 3.809 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435220587 850227080 /nfs/dbraw/zinc/22/70/80/850227080.db2.gz QCIRGZBGMHIFDL-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1cc(F)ccc1Br ZINC000435228449 850245314 /nfs/dbraw/zinc/24/53/14/850245314.db2.gz ZNDMGHGPJVFMKM-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908705867 850293958 /nfs/dbraw/zinc/29/39/58/850293958.db2.gz YELQXRKSTZVUES-MRXNPFEDSA-N -1 3 386.492 3.530 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000908741137 850314914 /nfs/dbraw/zinc/31/49/14/850314914.db2.gz XFHAKZREIVNUKC-PMACEKPBSA-N -1 3 383.492 3.537 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC000514820248 850325385 /nfs/dbraw/zinc/32/53/85/850325385.db2.gz BLAQVVDQGLHPPJ-SNVBAGLBSA-N -1 3 382.641 3.998 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000514820247 850325489 /nfs/dbraw/zinc/32/54/89/850325489.db2.gz BLAQVVDQGLHPPJ-JTQLQIEISA-N -1 3 382.641 3.998 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000908752586 850330166 /nfs/dbraw/zinc/33/01/66/850330166.db2.gz KOOVIRFYSDKYNJ-OFNKIYASSA-N -1 3 397.519 3.541 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908754879 850332986 /nfs/dbraw/zinc/33/29/86/850332986.db2.gz WFIMCJUNRZUXDO-RTWAWAEBSA-N -1 3 397.519 3.594 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(-c2ccncc2)cs1 ZINC000518938392 850362754 /nfs/dbraw/zinc/36/27/54/850362754.db2.gz QDFXYHOWVDJCEX-GFCCVEGCSA-N -1 3 376.441 3.538 20 0 GHADHM CC[C@@](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000908942222 850481823 /nfs/dbraw/zinc/48/18/23/850481823.db2.gz FNCQWOUOULQMFD-MBSDFSHPSA-N -1 3 398.478 3.544 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000435401625 850484481 /nfs/dbraw/zinc/48/44/81/850484481.db2.gz LMLFMGIUEQJZJZ-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000435401625 850484492 /nfs/dbraw/zinc/48/44/92/850484492.db2.gz LMLFMGIUEQJZJZ-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM COC[C@]1(C(=O)[O-])CCCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000514945951 850493063 /nfs/dbraw/zinc/49/30/63/850493063.db2.gz JNMCPGSPAXUDHI-DJJJIMSYSA-N -1 3 378.856 3.869 20 0 GHADHM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000909000105 850525749 /nfs/dbraw/zinc/52/57/49/850525749.db2.gz DYJRUSIQQGRBOD-AVRDEDQJSA-N -1 3 394.515 3.614 20 0 GHADHM CC[C@@H](CNC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000043793305 850580084 /nfs/dbraw/zinc/58/00/84/850580084.db2.gz CVHWPFLJEWEVKO-ZDUSSCGKSA-N -1 3 390.281 3.587 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000909748663 850772204 /nfs/dbraw/zinc/77/22/04/850772204.db2.gz ICQUVRIOGUVVNA-GOSISDBHSA-N -1 3 380.488 3.788 20 0 GHADHM O=[S@@](Cc1ccc(I)c(Cl)c1)c1ccc([O-])cc1 ZINC000435722729 850807656 /nfs/dbraw/zinc/80/76/56/850807656.db2.gz KZVIJMIKPNJCCM-SFHVURJKSA-N -1 3 392.645 3.958 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424970505 850809502 /nfs/dbraw/zinc/80/95/02/850809502.db2.gz MZFAFBSXVSVMPY-PWRODBHTSA-N -1 3 378.472 3.558 20 0 GHADHM CCCN(CCc1cccs1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000505306621 850817488 /nfs/dbraw/zinc/81/74/88/850817488.db2.gz VPSBJGDEOPFMBD-UHFFFAOYSA-N -1 3 376.428 3.963 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1c(Cl)cccc1Cl ZINC000519268719 850825902 /nfs/dbraw/zinc/82/59/02/850825902.db2.gz ZSPZGTHVBHCOGI-UHFFFAOYSA-N -1 3 387.288 3.656 20 0 GHADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1nnc2ccccc2c1[O-] ZINC000732279172 862173761 /nfs/dbraw/zinc/17/37/61/862173761.db2.gz IYBAANSRLQXLMD-OAHLLOKOSA-N -1 3 385.370 3.744 20 0 GHADHM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(CN3CCCC3)c1)CCC2 ZINC000909950172 850865759 /nfs/dbraw/zinc/86/57/59/850865759.db2.gz BGBCVNIBOGDZQS-OAQYLSRUSA-N -1 3 392.499 3.831 20 0 GHADHM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)[C@H]2CCCC[C@@H]12 ZINC000909957504 850870660 /nfs/dbraw/zinc/87/06/60/850870660.db2.gz DAMSJFPPFNQDIG-HBMCJLEFSA-N -1 3 384.520 3.778 20 0 GHADHM CCN(Cc1cccc(Br)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000732268007 862179110 /nfs/dbraw/zinc/17/91/10/862179110.db2.gz BOKWNHHNQUVOMM-UHFFFAOYSA-N -1 3 386.249 3.760 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000673936836 862184021 /nfs/dbraw/zinc/18/40/21/862184021.db2.gz VBQMFTOYMVNDLT-SFHVURJKSA-N -1 3 398.890 3.953 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c([O-])c1 ZINC000732305716 862185700 /nfs/dbraw/zinc/18/57/00/862185700.db2.gz QINNWWJGGWLVFZ-HNNXBMFYSA-N -1 3 388.537 3.997 20 0 GHADHM CCc1ccc([C@@H](CO)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000513848527 850947932 /nfs/dbraw/zinc/94/79/32/850947932.db2.gz IWNRTWSXZHVYIK-HXUWFJFHSA-N -1 3 392.459 3.575 20 0 GHADHM COc1ccc(CCN(CC(C)C)C(=O)c2ccc(C(C)=O)c([O-])c2)cc1OC ZINC000668809833 851020198 /nfs/dbraw/zinc/02/01/98/851020198.db2.gz NCNSDAZXHRMXOX-UHFFFAOYSA-N -1 3 399.487 3.953 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OCC(F)(F)F)cn1 ZINC000434360797 851031265 /nfs/dbraw/zinc/03/12/65/851031265.db2.gz SGZBFOKCVASTHU-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@](C)(C(F)(F)F)O1 ZINC000505741387 851086207 /nfs/dbraw/zinc/08/62/07/851086207.db2.gz DTJIPKWJKDDXOB-QGZVFWFLSA-N -1 3 377.378 3.812 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426643398 851102705 /nfs/dbraw/zinc/10/27/05/851102705.db2.gz OXGWJKJJNPAEAY-FQEVSTJZSA-N -1 3 397.450 3.757 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@]2(C)C[C@@H]2F)cc1 ZINC000425444969 851106556 /nfs/dbraw/zinc/10/65/56/851106556.db2.gz CKSOCZDFMHTMMN-QFBILLFUSA-N -1 3 376.453 3.791 20 0 GHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 ZINC000440386583 851131859 /nfs/dbraw/zinc/13/18/59/851131859.db2.gz YSJAWOGPTZXZOL-UHFFFAOYSA-N -1 3 390.292 3.690 20 0 GHADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cc(C)c(F)cc3F)co2)cc1 ZINC000440414916 851172113 /nfs/dbraw/zinc/17/21/13/851172113.db2.gz LJIQTIKERTXDHS-UHFFFAOYSA-N -1 3 392.427 3.758 20 0 GHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CC1 ZINC000729440937 851198072 /nfs/dbraw/zinc/19/80/72/851198072.db2.gz UOPQKMVHBBZEQZ-UONOGXRCSA-N -1 3 384.517 3.552 20 0 GHADHM Cc1cc(I)cc(C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000488217225 851274569 /nfs/dbraw/zinc/27/45/69/851274569.db2.gz YUWZTRRMMVRNII-UHFFFAOYSA-N -1 3 399.203 3.683 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 ZINC000436193910 851326452 /nfs/dbraw/zinc/32/64/52/851326452.db2.gz ZNYBLLIBUSVKST-CQSZACIVSA-N -1 3 395.349 3.650 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000488315416 851388431 /nfs/dbraw/zinc/38/84/31/851388431.db2.gz ZSSMOVOAEUHIHY-UHFFFAOYSA-N -1 3 396.468 3.941 20 0 GHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000515761078 851444358 /nfs/dbraw/zinc/44/43/58/851444358.db2.gz FQBWJDGJIOAYKW-NRFANRHFSA-N -1 3 394.496 3.529 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)C(F)(F)F ZINC000443940299 862250999 /nfs/dbraw/zinc/25/09/99/862250999.db2.gz YLULIAPCANLSMB-SDBXPKJASA-N -1 3 386.823 3.554 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2)s1 ZINC000443938507 862249535 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GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1sc(C2CCCC2)nc1C ZINC000911282253 851675949 /nfs/dbraw/zinc/67/59/49/851675949.db2.gz KHLNVEZCWQHXEV-INIZCTEOSA-N -1 3 393.553 3.510 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1C(=O)[O-] ZINC000911322245 851691248 /nfs/dbraw/zinc/69/12/48/851691248.db2.gz IEIJIHNPYRAZBC-UHFFFAOYSA-N -1 3 384.501 3.537 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488725028 851714773 /nfs/dbraw/zinc/71/47/73/851714773.db2.gz MFYACJZGLFXCJB-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000911431439 851729566 /nfs/dbraw/zinc/72/95/66/851729566.db2.gz UXLJZSZNVKNHIO-TXPKVOOTSA-N -1 3 398.528 3.502 20 0 GHADHM O=C([N-]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)c1ccccc1 ZINC000061636513 862283632 /nfs/dbraw/zinc/28/36/32/862283632.db2.gz IPLGXPNXBNNDBG-CQSZACIVSA-N -1 3 375.293 3.527 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488944290 851879498 /nfs/dbraw/zinc/87/94/98/851879498.db2.gz SJWDDDPHCNFPCM-XJKSGUPXSA-N -1 3 382.888 3.593 20 0 GHADHM Cc1ccoc1C(=O)NCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436527654 852017215 /nfs/dbraw/zinc/01/72/15/852017215.db2.gz ITHUKGMPQYSIBK-UHFFFAOYSA-N -1 3 394.427 3.636 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1Cl ZINC000180747713 862312945 /nfs/dbraw/zinc/31/29/45/862312945.db2.gz UWXRSXNZRXGADV-HOCLYGCPSA-N -1 3 391.798 3.566 20 0 GHADHM CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560047 852064127 /nfs/dbraw/zinc/06/41/27/852064127.db2.gz ZXSWIIMIMBQCDY-CZAAIQMYSA-N -1 3 380.488 3.948 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@](O)(C(F)(F)F)C1 ZINC000436570748 852072424 /nfs/dbraw/zinc/07/24/24/852072424.db2.gz ASXDQLFOHRKYNL-GOSISDBHSA-N -1 3 381.350 3.714 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000436578524 852087035 /nfs/dbraw/zinc/08/70/35/852087035.db2.gz RGMKTTAUDZWYHS-QGZVFWFLSA-N -1 3 380.488 3.798 20 0 GHADHM CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436589471 852097490 /nfs/dbraw/zinc/09/74/90/852097490.db2.gz KUYHNZQRCYMYEP-AWEZNQCLSA-N -1 3 397.431 3.937 20 0 GHADHM CCN(CC(F)(F)F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436624307 852118530 /nfs/dbraw/zinc/11/85/30/852118530.db2.gz JIDIBIIFFXEVHE-KRWDZBQOSA-N -1 3 394.393 3.664 20 0 GHADHM Cc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436626073 852119427 /nfs/dbraw/zinc/11/94/27/852119427.db2.gz HOSFDIODADGWDY-UHFFFAOYSA-N -1 3 381.457 3.899 20 0 GHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc(O)cc2[O-])cn1 ZINC000436627297 852121944 /nfs/dbraw/zinc/12/19/44/852121944.db2.gz VRYRRAZBFNGXSP-UHFFFAOYSA-N -1 3 380.400 3.614 20 0 GHADHM COc1cccc(C(NC(=O)c2ccc(O)cc2[O-])c2cccc(OC)c2)c1 ZINC000436628332 852123976 /nfs/dbraw/zinc/12/39/76/852123976.db2.gz YPNQUNHCOMMJIZ-UHFFFAOYSA-N -1 3 379.412 3.634 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000436619239 852133725 /nfs/dbraw/zinc/13/37/25/852133725.db2.gz QKVPYOLBWKRZEZ-UHFFFAOYSA-N -1 3 398.409 3.888 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)cc1F ZINC000329791755 862324764 /nfs/dbraw/zinc/32/47/64/862324764.db2.gz USROESWZUVYPTA-LJQANCHMSA-N -1 3 393.455 3.646 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000436656264 852147385 /nfs/dbraw/zinc/14/73/85/852147385.db2.gz MDIDNAOREDLJCY-HSZRJFAPSA-N -1 3 383.488 3.737 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000436668900 852166279 /nfs/dbraw/zinc/16/62/79/852166279.db2.gz ZZRLYKMYPZAHHX-UHFFFAOYSA-N -1 3 396.462 3.666 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436688951 852198982 /nfs/dbraw/zinc/19/89/82/852198982.db2.gz CXDBZHNYLTWGIR-HXUWFJFHSA-N -1 3 380.488 3.779 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436688763 852199074 /nfs/dbraw/zinc/19/90/74/852199074.db2.gz LSRYRFFWQKSSRU-MRXNPFEDSA-N -1 3 382.416 3.936 20 0 GHADHM COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])cc1OC ZINC000436689509 852199747 /nfs/dbraw/zinc/19/97/47/852199747.db2.gz RRIFTNYRYPRDKS-MRXNPFEDSA-N -1 3 385.460 3.743 20 0 GHADHM COc1cc(-c2nc(Cc3ccccc3Br)no2)cc(OC)c1[O-] ZINC000436690423 852200514 /nfs/dbraw/zinc/20/05/14/852200514.db2.gz QHIIHJGWZCMFFF-UHFFFAOYSA-N -1 3 391.221 3.813 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1 ZINC000436708358 852204594 /nfs/dbraw/zinc/20/45/94/852204594.db2.gz JLYDPKLOVWGGCB-UHFFFAOYSA-N -1 3 383.448 3.617 20 0 GHADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436701029 852217042 /nfs/dbraw/zinc/21/70/42/852217042.db2.gz BKAKBOYFLKVJTI-UXHICEINSA-N -1 3 394.515 3.554 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2cccc(C(=O)Nc3ccncc3)c2)c([O-])c1 ZINC000436703033 852219735 /nfs/dbraw/zinc/21/97/35/852219735.db2.gz HFHNIODRHLSKJE-UHFFFAOYSA-N -1 3 389.455 3.515 20 0 GHADHM O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc2c(c1[O-])CCCC2 ZINC000436711378 852233481 /nfs/dbraw/zinc/23/34/81/852233481.db2.gz HGIQJXCJXRAVCF-UHFFFAOYSA-N -1 3 388.414 3.638 20 0 GHADHM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436720949 852245132 /nfs/dbraw/zinc/24/51/32/852245132.db2.gz KNRQTPJRCPVOQX-IBGZPJMESA-N -1 3 380.488 3.504 20 0 GHADHM CCCCOc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000436739200 852255470 /nfs/dbraw/zinc/25/54/70/852255470.db2.gz NTYSOKBZNZUERV-UHFFFAOYSA-N -1 3 389.448 3.527 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000516195310 852255776 /nfs/dbraw/zinc/25/57/76/852255776.db2.gz RNTZXRBDCDENRT-LBPRGKRZSA-N -1 3 385.361 3.656 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436745287 852267322 /nfs/dbraw/zinc/26/73/22/852267322.db2.gz BLFAWFUWSKHPQN-UHFFFAOYSA-N -1 3 394.265 3.834 20 0 GHADHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cncs1 ZINC000436731267 852272952 /nfs/dbraw/zinc/27/29/52/852272952.db2.gz BXWUASRZQIAHAD-KSSFIOAISA-N -1 3 395.484 3.587 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1OCC(F)(F)F ZINC000426704029 852288492 /nfs/dbraw/zinc/28/84/92/852288492.db2.gz OVXLVGPOLRYNFN-KRWDZBQOSA-N -1 3 383.366 3.860 20 0 GHADHM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912510557 852314233 /nfs/dbraw/zinc/31/42/33/852314233.db2.gz JFFWJKPNLVTDAE-INIZCTEOSA-N -1 3 387.867 3.705 20 0 GHADHM CCNc1nc(SCc2noc(-c3ccccc3[O-])n2)nc2ccccc21 ZINC000436778321 852314560 /nfs/dbraw/zinc/31/45/60/852314560.db2.gz QQGBJAJZJLATAO-UHFFFAOYSA-N -1 3 379.445 3.531 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000436784097 852335349 /nfs/dbraw/zinc/33/53/49/852335349.db2.gz ORWDHRVCGHONQK-JTQLQIEISA-N -1 3 388.374 3.586 20 0 GHADHM COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c(OC2CCCC2)c1 ZINC000436788139 852341245 /nfs/dbraw/zinc/34/12/45/852341245.db2.gz UDUAREJIFTYCSH-UHFFFAOYSA-N -1 3 398.459 3.611 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(-c2cccs2)o1 ZINC000436792252 852347441 /nfs/dbraw/zinc/34/74/41/852347441.db2.gz MSMGYQQDDPQGSM-UHFFFAOYSA-N -1 3 396.468 3.748 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc(-n2cncn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000426749234 852354995 /nfs/dbraw/zinc/35/49/95/852354995.db2.gz DOUTVQWAKIUBPL-KRWDZBQOSA-N -1 3 391.258 3.880 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)c([O-])c1 ZINC000436804364 852365119 /nfs/dbraw/zinc/36/51/19/852365119.db2.gz ANAFKZBDJZSNHZ-INIZCTEOSA-N -1 3 388.439 3.789 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000436808099 852366818 /nfs/dbraw/zinc/36/68/18/852366818.db2.gz KPDACQCEUYUUPD-CQSZACIVSA-N -1 3 391.265 3.577 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000426774538 852380178 /nfs/dbraw/zinc/38/01/78/852380178.db2.gz PCSYCUJARXCFJD-SFTDATJTSA-N -1 3 385.460 3.559 20 0 GHADHM CCc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c([O-])c1 ZINC000436834246 852383730 /nfs/dbraw/zinc/38/37/30/852383730.db2.gz LMUVYRTWJQUXIY-INIZCTEOSA-N -1 3 399.491 3.821 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc1OC ZINC000489486213 852395794 /nfs/dbraw/zinc/39/57/94/852395794.db2.gz QYSHESLZWFMKNZ-CVEARBPZSA-N -1 3 397.541 3.793 20 0 GHADHM CCCC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(OC)cc1 ZINC000489493048 852399952 /nfs/dbraw/zinc/39/99/52/852399952.db2.gz ZCXRZXRNVMXROI-SFHVURJKSA-N -1 3 381.432 3.632 20 0 GHADHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1OC ZINC000426800911 852410700 /nfs/dbraw/zinc/41/07/00/852410700.db2.gz RAIPJZDBQWGHFL-SFHVURJKSA-N -1 3 393.867 3.980 20 0 GHADHM O=S(=O)([N-]CCCO[C@H]1CCCc2ccccc21)c1ccc(F)cc1F ZINC000506243091 852438629 /nfs/dbraw/zinc/43/86/29/852438629.db2.gz WVYPZVKCPRALSZ-SFHVURJKSA-N -1 3 381.444 3.727 20 0 GHADHM O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517798956 852438651 /nfs/dbraw/zinc/43/86/51/852438651.db2.gz VBOVBBAGGJUEAS-OAQYLSRUSA-N -1 3 384.435 3.674 20 0 GHADHM COc1cc(CN(C)C(=O)c2ccc(O)cc2[O-])ccc1OCc1ccccc1 ZINC000436879109 852448791 /nfs/dbraw/zinc/44/87/91/852448791.db2.gz FELYBDJCSZOCIA-UHFFFAOYSA-N -1 3 393.439 3.958 20 0 GHADHM Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000517832995 852475321 /nfs/dbraw/zinc/47/53/21/852475321.db2.gz OFSGBFZRXOTISR-UHFFFAOYSA-N -1 3 386.395 3.567 20 0 GHADHM CN(CCC(F)(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436915262 852493196 /nfs/dbraw/zinc/49/31/96/852493196.db2.gz PPJYQWAOIAPJCC-QGZVFWFLSA-N -1 3 394.393 3.664 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc2n(n1)CCCO2 ZINC000436924239 852505618 /nfs/dbraw/zinc/50/56/18/852505618.db2.gz BUVDQIYSLLFNRU-UHFFFAOYSA-N -1 3 392.440 3.900 20 0 GHADHM CN(CC1CCCC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436934513 852517203 /nfs/dbraw/zinc/51/72/03/852517203.db2.gz SWJQXBIACWFCKB-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2cc(F)ccc2s1 ZINC000436945275 852526497 /nfs/dbraw/zinc/52/64/97/852526497.db2.gz OXYJXTYSBSGOFN-UHFFFAOYSA-N -1 3 398.459 3.781 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)c1[O-] ZINC000436949004 852530709 /nfs/dbraw/zinc/53/07/09/852530709.db2.gz LEKDMYFGDUZRLQ-CYBMUJFWSA-N -1 3 379.416 3.742 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1cccc(OC(F)(F)F)c1F ZINC000489695609 852530885 /nfs/dbraw/zinc/53/08/85/852530885.db2.gz LFRDVIOBNZADNB-HNNXBMFYSA-N -1 3 390.358 3.549 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1C ZINC000489696643 852531812 /nfs/dbraw/zinc/53/18/12/852531812.db2.gz JRUYJMJWABJBRR-UHFFFAOYSA-N -1 3 398.456 3.535 20 0 GHADHM CSCc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436956482 852547515 /nfs/dbraw/zinc/54/75/15/852547515.db2.gz RPXSPTSTJCLKJG-UHFFFAOYSA-N -1 3 399.516 3.682 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000436970952 852553109 /nfs/dbraw/zinc/55/31/09/852553109.db2.gz HWPZNWNYPMWSKI-HNNXBMFYSA-N -1 3 380.448 3.643 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CC[C@H](C)CC3)cs2)c1 ZINC000436976164 852561412 /nfs/dbraw/zinc/56/14/12/852561412.db2.gz AUUIKJLIFVGVJV-MQMHXKEQSA-N -1 3 387.505 3.647 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436977853 852565015 /nfs/dbraw/zinc/56/50/15/852565015.db2.gz SWXOTQDRFAELDJ-UHFFFAOYSA-N -1 3 376.840 3.511 20 0 GHADHM CC[C@@H]1CCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436989945 852579245 /nfs/dbraw/zinc/57/92/45/852579245.db2.gz PVBGPOHGMNHSPV-CJNGLKHVSA-N -1 3 387.505 3.647 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000437007007 852603582 /nfs/dbraw/zinc/60/35/82/852603582.db2.gz ZHEUTIPTQQWZGN-ZDUSSCGKSA-N -1 3 376.250 3.565 20 0 GHADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(C)cc1 ZINC000031883265 852610369 /nfs/dbraw/zinc/61/03/69/852610369.db2.gz XPQTZWGQUNILQW-SFHVURJKSA-N -1 3 392.496 3.702 20 0 GHADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)s1 ZINC000519592488 852614514 /nfs/dbraw/zinc/61/45/14/852614514.db2.gz HIUMQRDBYKGNEY-UHFFFAOYSA-N -1 3 395.893 3.771 20 0 GHADHM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)CCC2 ZINC000517924933 852626639 /nfs/dbraw/zinc/62/66/39/852626639.db2.gz MTPLGKXGBOFJTI-UHFFFAOYSA-N -1 3 380.469 3.950 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3COc4ccc(Cl)cc43)cc2)n1 ZINC000489935943 852656355 /nfs/dbraw/zinc/65/63/55/852656355.db2.gz WURJYOLPCNLTRL-INIZCTEOSA-N -1 3 381.819 3.513 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000427064953 852668828 /nfs/dbraw/zinc/66/88/28/852668828.db2.gz PTGVCZCWMMCOHZ-CABCVRRESA-N -1 3 382.204 3.820 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc(-c2ncccc2F)n1 ZINC000507267387 852736117 /nfs/dbraw/zinc/73/61/17/852736117.db2.gz LVSIWQBMLMZGHB-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sc(C(C)(C)OC)nc2C)c1F ZINC000518020199 852740351 /nfs/dbraw/zinc/74/03/51/852740351.db2.gz YNODTUJBXZNYEB-UHFFFAOYSA-N -1 3 384.404 3.650 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(C)c(Br)c3)n[n-]2)o1 ZINC000438700002 852742136 /nfs/dbraw/zinc/74/21/36/852742136.db2.gz UXESCVTYUXMLDS-UHFFFAOYSA-N -1 3 375.226 3.625 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2C(C)C)cc1 ZINC000473855940 852783950 /nfs/dbraw/zinc/78/39/50/852783950.db2.gz NYMXGMZZOUHTJU-GOSISDBHSA-N -1 3 379.464 3.553 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2OCC(F)F)c(=O)[n-]1 ZINC000288976335 852853482 /nfs/dbraw/zinc/85/34/82/852853482.db2.gz MGWCNDPUTBNCJX-UHFFFAOYSA-N -1 3 385.798 3.668 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sc(Cl)cc32)s1 ZINC000490450960 853016630 /nfs/dbraw/zinc/01/66/30/853016630.db2.gz BXEHIKMDEXBPRT-VIFPVBQESA-N -1 3 391.923 3.606 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1C(C)C ZINC000507632917 853129346 /nfs/dbraw/zinc/12/93/46/853129346.db2.gz COAANYOWCHQYIE-UHFFFAOYSA-N -1 3 393.505 3.689 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(NC(C)C)nc2)[nH][n-]1 ZINC000438941446 853132268 /nfs/dbraw/zinc/13/22/68/853132268.db2.gz FJUAUXCTRIVQFP-UHFFFAOYSA-N -1 3 385.855 3.628 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(-c4ccccc4)o3)nc21 ZINC000157776219 862433368 /nfs/dbraw/zinc/43/33/68/862433368.db2.gz GEQUEOWAVLEMRE-UHFFFAOYSA-N -1 3 390.399 3.576 20 0 GHADHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000180972096 862435095 /nfs/dbraw/zinc/43/50/95/862435095.db2.gz WKGRCIRMNFWLSC-UHFFFAOYSA-N -1 3 396.965 3.998 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(CC3CCC3)c3ccccc3)nc(=O)c2c1C ZINC000437497749 853200579 /nfs/dbraw/zinc/20/05/79/853200579.db2.gz PBHBDDYKKIBEDC-UHFFFAOYSA-N -1 3 397.500 3.886 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000133198287 862445915 /nfs/dbraw/zinc/44/59/15/862445915.db2.gz MLNHEHWIBNBYIA-UHFFFAOYSA-N -1 3 387.842 3.846 20 0 GHADHM C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccccc3-c3nnn[n-]3)cs2)CC1 ZINC000913357658 853282598 /nfs/dbraw/zinc/28/25/98/853282598.db2.gz NLZJIABVULQJTM-JOCQHMNTSA-N -1 3 382.493 3.798 20 0 GHADHM C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccccc3-c3nn[n-]n3)cs2)CC1 ZINC000913357658 853282606 /nfs/dbraw/zinc/28/26/06/853282606.db2.gz NLZJIABVULQJTM-JOCQHMNTSA-N -1 3 382.493 3.798 20 0 GHADHM O=C(CCCOc1cccnc1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000439152402 853325959 /nfs/dbraw/zinc/32/59/59/853325959.db2.gz JYVKKWSMQXNQNH-UHFFFAOYSA-N -1 3 391.258 3.998 20 0 GHADHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000519699149 853383593 /nfs/dbraw/zinc/38/35/93/853383593.db2.gz BDPKSZSZTRWIGT-HXUWFJFHSA-N -1 3 388.423 3.541 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000151459302 853457213 /nfs/dbraw/zinc/45/72/13/853457213.db2.gz KJEVUHAIPIBSTI-HNNXBMFYSA-N -1 3 390.430 3.555 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000044539252 853489812 /nfs/dbraw/zinc/48/98/12/853489812.db2.gz YNZJOYWCCVIEHB-INIZCTEOSA-N -1 3 396.509 3.551 20 0 GHADHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000586752328 853521240 /nfs/dbraw/zinc/52/12/40/853521240.db2.gz AMBZCGWWKJDBRP-HXUWFJFHSA-N -1 3 391.471 3.805 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC4(CCC4)CC3)nc(=O)c2c1C ZINC000586783238 853543883 /nfs/dbraw/zinc/54/38/83/853543883.db2.gz MAUWTNPTALQRBX-CYBMUJFWSA-N -1 3 389.521 3.797 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1C ZINC000481885857 862483885 /nfs/dbraw/zinc/48/38/85/862483885.db2.gz UKDBKLUHOOVMBU-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1c(Cl)cccc1Cl ZINC000520134465 853886717 /nfs/dbraw/zinc/88/67/17/853886717.db2.gz OVEOUMNDQYSVIR-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM Cc1ncc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000520149780 853903686 /nfs/dbraw/zinc/90/36/86/853903686.db2.gz CXNBJGFBMBZULM-UHFFFAOYSA-N -1 3 387.486 3.813 20 0 GHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000520153842 853909000 /nfs/dbraw/zinc/90/90/00/853909000.db2.gz ZGCQPEDEYYLPAL-UHFFFAOYSA-N -1 3 378.215 3.541 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC000481921846 862519661 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O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2cccc(Cl)c2)CCCC1 ZINC000473944672 854393371 /nfs/dbraw/zinc/39/33/71/854393371.db2.gz YCUQYNHNVUJDSZ-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2cccc(Cl)c2)CCCC1 ZINC000473944672 854393377 /nfs/dbraw/zinc/39/33/77/854393377.db2.gz YCUQYNHNVUJDSZ-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000481965441 862574007 /nfs/dbraw/zinc/57/40/07/862574007.db2.gz NIFPKYNRODNAHS-UHFFFAOYSA-N -1 3 382.441 3.687 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000572454896 854529299 /nfs/dbraw/zinc/52/92/99/854529299.db2.gz JPENLCBYMXPNRV-CYBMUJFWSA-N -1 3 392.337 3.609 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2)cc(=O)[n-]1 ZINC000328842077 854571484 /nfs/dbraw/zinc/57/14/84/854571484.db2.gz PAXTUFDTQCHUDF-QGZVFWFLSA-N -1 3 378.436 3.640 20 0 GHADHM O=C(Cc1ccc2c(c1)CCCC2)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000032898179 854581580 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C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000590506990 855440261 /nfs/dbraw/zinc/44/02/61/855440261.db2.gz SWMDJUDRCLADKW-KRWDZBQOSA-N -1 3 398.466 3.890 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1Cl ZINC000509614898 855515125 /nfs/dbraw/zinc/51/51/25/855515125.db2.gz BMORVLLPSQHSTH-UHFFFAOYSA-N -1 3 382.851 3.608 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1Cl ZINC000509614898 855515132 /nfs/dbraw/zinc/51/51/32/855515132.db2.gz BMORVLLPSQHSTH-UHFFFAOYSA-N -1 3 382.851 3.608 20 0 GHADHM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1ncnc2sc3c(c21)CCC3 ZINC000057780086 855674700 /nfs/dbraw/zinc/67/47/00/855674700.db2.gz WXPVIVSPRYCXJJ-UHFFFAOYSA-N -1 3 383.864 3.910 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)cc1C ZINC000591094246 855758958 /nfs/dbraw/zinc/75/89/58/855758958.db2.gz DMNLWDTXPUCWFX-UHFFFAOYSA-N -1 3 377.425 3.563 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)sc2C)s1 ZINC000134991671 855762043 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384.348 3.757 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2csc(-c3ccc(F)cc3)n2)nc(C2CC2)[n-]1 ZINC000591345053 855900168 /nfs/dbraw/zinc/90/01/68/855900168.db2.gz BMLJEXGZYRRSPO-AREMUKBSSA-N -1 3 389.477 3.771 20 0 GHADHM O=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1c[n-]c2ccccc2c1=O ZINC000573205169 855929085 /nfs/dbraw/zinc/92/90/85/855929085.db2.gz YCGGYLIRSNBDDW-UHFFFAOYSA-N -1 3 395.484 3.522 20 0 GHADHM Cc1cc(C2([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)CCOCC2)on1 ZINC000625652105 862737288 /nfs/dbraw/zinc/73/72/88/862737288.db2.gz HFKWUBZVBLJXTD-UHFFFAOYSA-N -1 3 398.484 3.634 20 0 GHADHM O=C(CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)Nc1cccc(Oc2ccccc2)c1 ZINC000280892360 862748473 /nfs/dbraw/zinc/74/84/73/862748473.db2.gz BVMRQPDRSWZMEN-AOMKIAJQSA-N -1 3 380.444 3.604 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)[n-]1 ZINC000591532882 856093724 /nfs/dbraw/zinc/09/37/24/856093724.db2.gz FMQJZVVEMSHOBJ-UHFFFAOYSA-N -1 3 393.447 3.817 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c[n-]1 ZINC000591532882 856093732 /nfs/dbraw/zinc/09/37/32/856093732.db2.gz FMQJZVVEMSHOBJ-UHFFFAOYSA-N -1 3 393.447 3.817 20 0 GHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)ccn2)C1 ZINC000485137317 856148064 /nfs/dbraw/zinc/14/80/64/856148064.db2.gz WHMCZUFDALEBAB-CYBMUJFWSA-N -1 3 388.431 3.711 20 0 GHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)ccn2)C1 ZINC000485137317 856148068 /nfs/dbraw/zinc/14/80/68/856148068.db2.gz WHMCZUFDALEBAB-CYBMUJFWSA-N -1 3 388.431 3.711 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1OC ZINC000905067597 856152476 /nfs/dbraw/zinc/15/24/76/856152476.db2.gz KTAZPAURRXZTDO-UHFFFAOYSA-N -1 3 379.438 3.760 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1cc(Cl)ccc1Cl ZINC000031559960 856174707 /nfs/dbraw/zinc/17/47/07/856174707.db2.gz GRZHDNQGWNPKJF-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)c1ccc[nH]1 ZINC000760853616 856185991 /nfs/dbraw/zinc/18/59/91/856185991.db2.gz LMCBXHSVBHJCCP-MRVPVSSYSA-N 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GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)s1)c1nccs1 ZINC000151456820 856667883 /nfs/dbraw/zinc/66/78/83/856667883.db2.gz IGRMPQZFJVPVCF-LLVKDONJSA-N -1 3 381.342 3.571 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000482230919 862831079 /nfs/dbraw/zinc/83/10/79/862831079.db2.gz USRTUHZMDHSGKK-UHFFFAOYSA-N -1 3 398.291 3.824 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000625731300 856751928 /nfs/dbraw/zinc/75/19/28/856751928.db2.gz JTMVGGKOAAFBLM-CQSZACIVSA-N -1 3 392.253 3.783 20 0 GHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cnn(-c2ccccc2F)c1 ZINC000507983790 856768106 /nfs/dbraw/zinc/76/81/06/856768106.db2.gz JXISFGLFPREMDE-UHFFFAOYSA-N -1 3 379.844 3.649 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000427821528 856768462 /nfs/dbraw/zinc/76/84/62/856768462.db2.gz BUCHBLFWBYMTRJ-HNNXBMFYSA-N -1 3 393.892 3.839 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2cnc(Br)s2)c(F)cc1C ZINC001128829712 856803136 /nfs/dbraw/zinc/80/31/36/856803136.db2.gz XDLNYQMYXKKISI-UHFFFAOYSA-N -1 3 387.230 3.782 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(F)c1F ZINC000482234613 862838207 /nfs/dbraw/zinc/83/82/07/862838207.db2.gz YJPJGDOBFSRRPC-SECBINFHSA-N -1 3 395.207 3.680 20 0 GHADHM O=c1cc(-c2nc(-c3ccc4c(c3)CO[C@H]4c3ccc(F)cc3)no2)nc[n-]1 ZINC001212360406 856863375 /nfs/dbraw/zinc/86/33/75/856863375.db2.gz CZRAYGLFLCFOKW-SFHVURJKSA-N -1 3 376.347 3.658 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC000508111320 856900043 /nfs/dbraw/zinc/90/00/43/856900043.db2.gz IPHMIVGVZMXKAP-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM CCCCc1nc(NC(=O)C[C@@H]2OCCc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485664802 856924617 /nfs/dbraw/zinc/92/46/17/856924617.db2.gz CZNYJBPTYCAVCS-INIZCTEOSA-N -1 3 385.464 3.572 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508114560 856941926 /nfs/dbraw/zinc/94/19/26/856941926.db2.gz DNOYZZXPRVSNJO-UHFFFAOYSA-N -1 3 391.674 3.697 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCSc1cccc(Cl)c1 ZINC000485685290 856949712 /nfs/dbraw/zinc/94/97/12/856949712.db2.gz PLTQIQGTRZCDCF-UHFFFAOYSA-N -1 3 384.910 3.832 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C(=O)OCC)[n-]1 ZINC000485702261 856952577 /nfs/dbraw/zinc/95/25/77/856952577.db2.gz ROPFZGIQOKFYCV-UHFFFAOYSA-N -1 3 398.463 3.530 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000281146434 862855654 /nfs/dbraw/zinc/85/56/54/862855654.db2.gz AZQPODBCIQQXPZ-KRWDZBQOSA-N -1 3 387.480 3.610 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(C2CCC2)cc1 ZINC000427986026 856978156 /nfs/dbraw/zinc/97/81/56/856978156.db2.gz UWOKBAQRBSEGAG-UHFFFAOYSA-N -1 3 384.910 3.586 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000057009664 857135256 /nfs/dbraw/zinc/13/52/56/857135256.db2.gz GGIRIJCYFCTRRW-UHFFFAOYSA-N -1 3 397.909 3.855 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)nc1 ZINC000057203341 857166583 /nfs/dbraw/zinc/16/65/83/857166583.db2.gz CIUXKBWLUBYVOK-QGZVFWFLSA-N -1 3 381.476 3.710 20 0 GHADHM COc1cc(F)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1OC ZINC000906608846 857197351 /nfs/dbraw/zinc/19/73/51/857197351.db2.gz XAFCPHGEQKDFJX-UHFFFAOYSA-N -1 3 397.428 3.899 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOc3cc(F)ccc32)s1 ZINC000906739320 857255060 /nfs/dbraw/zinc/25/50/60/857255060.db2.gz XSIFWCTWYHWTPT-UHFFFAOYSA-N -1 3 379.413 3.668 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000485978305 857288182 /nfs/dbraw/zinc/28/81/82/857288182.db2.gz BUHPDDTZPBVRTP-RMKNXTFCSA-N -1 3 375.428 3.958 20 0 GHADHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3cccc(Cl)c3C)on2)cc1 ZINC001212455710 857333719 /nfs/dbraw/zinc/33/37/19/857333719.db2.gz APXYWQGVTRJINW-UHFFFAOYSA-N -1 3 392.864 3.791 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ccc(Cl)o2)c(C(=O)OCC)c1C ZINC000060528139 857451401 /nfs/dbraw/zinc/45/14/01/857451401.db2.gz HYGGOZXWYYBKBS-UHFFFAOYSA-N -1 3 385.825 3.909 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cncc(Br)c2)s1 ZINC000907137446 857490530 /nfs/dbraw/zinc/49/05/30/857490530.db2.gz QWODYHSQKDIERX-UHFFFAOYSA-N -1 3 399.270 3.900 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)NC)c2)cc1 ZINC000063150444 857592730 /nfs/dbraw/zinc/59/27/30/857592730.db2.gz ARLBBQALLSFEND-UHFFFAOYSA-N -1 3 391.493 3.808 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccc(Br)cc1 ZINC000465991284 857600743 /nfs/dbraw/zinc/60/07/43/857600743.db2.gz ZNAGDKMMXVYBOF-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000907432853 857640420 /nfs/dbraw/zinc/64/04/20/857640420.db2.gz NJVVQRXVOMGNQY-XYPYZODXSA-N -1 3 394.718 3.529 20 0 GHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)CC)ccc1Cl ZINC000442244457 857649260 /nfs/dbraw/zinc/64/92/60/857649260.db2.gz YRKHCTAYUYZPAR-UHFFFAOYSA-N -1 3 395.864 3.910 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000907586736 857699414 /nfs/dbraw/zinc/69/94/14/857699414.db2.gz ZCYHMADWYDSTFU-IBGZPJMESA-N -1 3 387.501 3.537 20 0 GHADHM Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(Br)cc3[O-])c2)cn1 ZINC000543003841 857734053 /nfs/dbraw/zinc/73/40/53/857734053.db2.gz AWXWDBHWIKPODB-UHFFFAOYSA-N -1 3 390.212 3.947 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CN1CCC[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000676233775 857797680 /nfs/dbraw/zinc/79/76/80/857797680.db2.gz UEIZWIBWZKPUJB-QAPCUYQASA-N -1 3 378.488 3.606 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281312894 862954916 /nfs/dbraw/zinc/95/49/16/862954916.db2.gz IFEMHDCEYUSURV-NXEZZACHSA-N -1 3 391.827 3.665 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cnc(C2CC2)[n-]c1=O ZINC000907893210 857828760 /nfs/dbraw/zinc/82/87/60/857828760.db2.gz VSLBHAWQSDEADL-UHFFFAOYSA-N -1 3 389.280 3.932 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000676489840 857916783 /nfs/dbraw/zinc/91/67/83/857916783.db2.gz UNNQMQTWIMDSLT-UHFFFAOYSA-N -1 3 383.473 3.883 20 0 GHADHM CCN(CCc1cccs1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486633805 857924697 /nfs/dbraw/zinc/92/46/97/857924697.db2.gz VTXFFDJGTCQVTQ-UHFFFAOYSA-N -1 3 383.311 3.990 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000486636788 857927891 /nfs/dbraw/zinc/92/78/91/857927891.db2.gz GQALJYGPZJUQOS-BDAKNGLRSA-N -1 3 377.297 3.665 20 0 GHADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n[nH]1 ZINC000486638629 857930458 /nfs/dbraw/zinc/93/04/58/857930458.db2.gz SDTPAJJHZVHQCZ-WPRPVWTQSA-N -1 3 391.324 3.973 20 0 GHADHM COc1cc(C(=O)NCc2c(C)cc(Br)cc2C)cc(OC)c1[O-] ZINC000486650525 857944359 /nfs/dbraw/zinc/94/43/59/857944359.db2.gz JTVBWCOVIRZXGR-UHFFFAOYSA-N -1 3 394.265 3.719 20 0 GHADHM O=c1[n-]c(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)nc2c3ccccc3oc21 ZINC000066850426 857975818 /nfs/dbraw/zinc/97/58/18/857975818.db2.gz MMWAIDNXEFARTN-QGZVFWFLSA-N -1 3 397.381 3.521 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(Cl)s1 ZINC000442774216 858115209 /nfs/dbraw/zinc/11/52/09/858115209.db2.gz ZXZOECCRHYRHPN-SECBINFHSA-N -1 3 393.939 3.988 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ccccc2n1)c1ccc(Br)s1 ZINC000521567989 858121208 /nfs/dbraw/zinc/12/12/08/858121208.db2.gz SLBXWMWWENCBLY-UHFFFAOYSA-N -1 3 397.319 3.580 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccncc1 ZINC000674084878 862988377 /nfs/dbraw/zinc/98/83/77/862988377.db2.gz IZGBYAUMDFCYKK-SNVBAGLBSA-N -1 3 389.702 3.580 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccncc1 ZINC000674084874 862988821 /nfs/dbraw/zinc/98/88/21/862988821.db2.gz IZGBYAUMDFCYKK-JTQLQIEISA-N -1 3 389.702 3.580 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594397738 858148811 /nfs/dbraw/zinc/14/88/11/858148811.db2.gz ABZRAQPURRPDJM-VNQPRFMTSA-N -1 3 398.503 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCOCc3ccccc3)nc2)n1 ZINC000543065205 858158366 /nfs/dbraw/zinc/15/83/66/858158366.db2.gz BEUTWNVWYSPPOX-UHFFFAOYSA-N -1 3 378.476 3.850 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ncc(-c2ccccc2)o1 ZINC000151560676 858195348 /nfs/dbraw/zinc/19/53/48/858195348.db2.gz TUSVILDNRGBECH-HNNXBMFYSA-N -1 3 394.456 3.567 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cnccc1C(F)(F)F ZINC000442913926 858219697 /nfs/dbraw/zinc/21/96/97/858219697.db2.gz SKQGLMWQOBPCCO-MRXNPFEDSA-N -1 3 382.363 3.761 20 0 GHADHM CCn1cnnc1-c1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000574815882 858327168 /nfs/dbraw/zinc/32/71/68/858327168.db2.gz AMGMFBIPAFEVDF-UHFFFAOYSA-N -1 3 391.406 3.506 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C(C)C ZINC000443083007 858357833 /nfs/dbraw/zinc/35/78/33/858357833.db2.gz ZTONAPMOCCUXII-GOSISDBHSA-N -1 3 379.453 3.596 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2cccc([O-])c2F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000574857422 858394815 /nfs/dbraw/zinc/39/48/15/858394815.db2.gz MACDPXFUWDWQHL-BTDLBPIBSA-N -1 3 397.233 3.996 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c1Cl ZINC000443270476 858518156 /nfs/dbraw/zinc/51/81/56/858518156.db2.gz NGKHXLYQUAELJC-GFCCVEGCSA-N -1 3 396.242 3.592 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(Cl)c(Br)c1 ZINC000191182335 858642630 /nfs/dbraw/zinc/64/26/30/858642630.db2.gz MUMLRCATYMNSMH-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM COc1cc([C@@H](C)/N=C\c2cc(Br)ccc2[O-])ccc1OCCO ZINC000126947211 858683989 /nfs/dbraw/zinc/68/39/89/858683989.db2.gz SNMNNQMQFZQYGW-WXYNYTDUSA-N -1 3 394.265 3.715 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@H]1CCSC1 ZINC000761145339 858727970 /nfs/dbraw/zinc/72/79/70/858727970.db2.gz WYHSPARFRLRCTA-ZDUSSCGKSA-N -1 3 395.477 3.597 20 0 GHADHM COc1cc(C(=O)[N-]c2ncc(Cc3ccc(Br)cc3)s2)on1 ZINC000183494544 858759584 /nfs/dbraw/zinc/75/95/84/858759584.db2.gz AVCPPCWOQIUWAT-UHFFFAOYSA-N -1 3 394.250 3.745 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2-c2ccccc2)c1 ZINC000115987484 858770619 /nfs/dbraw/zinc/77/06/19/858770619.db2.gz KZCUKSRDOYUFKV-UHFFFAOYSA-N -1 3 390.439 3.826 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(OCc3ccc(C)cc3)cc2)[n-]1 ZINC000895236211 858839289 /nfs/dbraw/zinc/83/92/89/858839289.db2.gz MANGLJOMMXTHMZ-INIZCTEOSA-N -1 3 394.475 3.720 20 0 GHADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000668121862 858842939 /nfs/dbraw/zinc/84/29/39/858842939.db2.gz VXZWXLARSAQWDN-VIFPVBQESA-N -1 3 391.262 3.541 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(F)(F)F ZINC000673400283 858959648 /nfs/dbraw/zinc/95/96/48/858959648.db2.gz KZFLYIFJYWUNBP-YFKPBYRVSA-N -1 3 397.578 3.625 20 0 GHADHM CCCc1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1-c1ccccc1Cl ZINC000184571928 858963053 /nfs/dbraw/zinc/96/30/53/858963053.db2.gz VGGHCVAOEJVRJI-UHFFFAOYSA-N -1 3 385.859 3.511 20 0 GHADHM Cc1ccc([C@H](C)c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000544571642 859040001 /nfs/dbraw/zinc/04/00/01/859040001.db2.gz REEONLGDWILZMA-HOTGVXAUSA-N -1 3 385.489 3.878 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1ncc(Br)cc1Br ZINC000185255012 859064068 /nfs/dbraw/zinc/06/40/68/859064068.db2.gz UVELQZLZULMWDP-UHFFFAOYSA-N -1 3 389.047 3.718 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2cc(F)ccc2F)c2ccccc2)c(=O)[n-]1 ZINC000116658333 859083764 /nfs/dbraw/zinc/08/37/64/859083764.db2.gz LKPBPTUUODSVLA-UHFFFAOYSA-N -1 3 397.425 3.831 20 0 GHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(Br)c2C)cc1 ZINC000187120391 859136971 /nfs/dbraw/zinc/13/69/71/859136971.db2.gz IQELSJCKZUPPCP-GFCCVEGCSA-N -1 3 393.262 3.789 20 0 GHADHM CCc1csc(CC2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)n1 ZINC000654454444 859207070 /nfs/dbraw/zinc/20/70/70/859207070.db2.gz WZQLXLJTEZZBQE-UHFFFAOYSA-N -1 3 377.485 3.715 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000738401868 859233367 /nfs/dbraw/zinc/23/33/67/859233367.db2.gz VFMYKEWZOOZPRJ-AWEZNQCLSA-N -1 3 398.923 3.782 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000738401868 859233378 /nfs/dbraw/zinc/23/33/78/859233378.db2.gz VFMYKEWZOOZPRJ-AWEZNQCLSA-N -1 3 398.923 3.782 20 0 GHADHM Cc1ncc(CNC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c(=O)[n-]1 ZINC000543317899 859252778 /nfs/dbraw/zinc/25/27/78/859252778.db2.gz QYDHXKDVXBDXML-UHFFFAOYSA-N -1 3 399.882 3.693 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cn2ccnc2s1 ZINC000443675346 859282535 /nfs/dbraw/zinc/28/25/35/859282535.db2.gz NBXMITMKWQITCC-UHFFFAOYSA-N -1 3 379.232 3.740 20 0 GHADHM CCOCCO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000187160291 859291848 /nfs/dbraw/zinc/29/18/48/859291848.db2.gz LDODYJZSFQCCIH-UHFFFAOYSA-N -1 3 382.460 3.860 20 0 GHADHM CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@](CC)(C(=O)[O-])C1 ZINC000923471573 859341429 /nfs/dbraw/zinc/34/14/29/859341429.db2.gz XCUZLOWJLMOPCC-NRFANRHFSA-N -1 3 386.448 3.595 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CC4CCC3CC4)cs2)c1 ZINC000483441709 859377076 /nfs/dbraw/zinc/37/70/76/859377076.db2.gz GRGCCWQLWTVBEK-MQBCKMQZSA-N -1 3 399.516 3.647 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738429079 859401949 /nfs/dbraw/zinc/40/19/49/859401949.db2.gz SSPQRADMEONUSM-HRAATJIYSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738429079 859401951 /nfs/dbraw/zinc/40/19/51/859401951.db2.gz SSPQRADMEONUSM-HRAATJIYSA-N -1 3 386.459 3.995 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)c(C)o1 ZINC000673460945 859411006 /nfs/dbraw/zinc/41/10/06/859411006.db2.gz HACZGGSKVVSCOS-OAHLLOKOSA-N -1 3 392.521 3.664 20 0 GHADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000194624941 859418816 /nfs/dbraw/zinc/41/88/16/859418816.db2.gz YJJCRMDMZDVKGR-UHFFFAOYSA-N -1 3 397.287 3.824 20 0 GHADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509434426 859435736 /nfs/dbraw/zinc/43/57/36/859435736.db2.gz YJWQKZCMSZAAQV-MRVPVSSYSA-N -1 3 396.818 3.873 20 0 GHADHM CSC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000601691523 859441910 /nfs/dbraw/zinc/44/19/10/859441910.db2.gz LJUFYHCCYUPMJN-HXUWFJFHSA-N -1 3 398.528 3.607 20 0 GHADHM CC(C)c1ccc(C[C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000483539958 859449149 /nfs/dbraw/zinc/44/91/49/859449149.db2.gz GJKDMDJCGNYZBM-CQSZACIVSA-N -1 3 395.429 3.721 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)cc1F ZINC000543688395 859451196 /nfs/dbraw/zinc/45/11/96/859451196.db2.gz XPQQRKQFIMHRBG-PBHICJAKSA-N -1 3 385.407 3.611 20 0 GHADHM CCCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1cccc(F)c1 ZINC000543382877 859481955 /nfs/dbraw/zinc/48/19/55/859481955.db2.gz KKGUBOACXZCETP-UHFFFAOYSA-N -1 3 397.454 3.648 20 0 GHADHM CC(=O)Nc1cccc(NC(=S)NCc2ccc([O-])c(Br)c2)c1 ZINC000764526658 859486403 /nfs/dbraw/zinc/48/64/03/859486403.db2.gz YPPDCPPROKZTLJ-UHFFFAOYSA-N -1 3 394.294 3.600 20 0 GHADHM Cc1ccc(OCc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)cn1 ZINC000114327770 859547044 /nfs/dbraw/zinc/54/70/44/859547044.db2.gz RWYWSPDXEFSEQV-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](NCC2CCN(C(=O)[O-])CC2)c2ccccc2)cc1 ZINC000740132581 859576688 /nfs/dbraw/zinc/57/66/88/859576688.db2.gz CLBDCUUKLPZLRS-FQEVSTJZSA-N -1 3 381.476 3.654 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(Cl)s1 ZINC000611107124 859605949 /nfs/dbraw/zinc/60/59/49/859605949.db2.gz CZJCUIUXHSLGRL-VIFPVBQESA-N -1 3 377.871 3.519 20 0 GHADHM CC(C)c1ccc(CCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673509173 859631441 /nfs/dbraw/zinc/63/14/41/859631441.db2.gz PGMMVIRHZPHIRV-HZPDHXFCSA-N -1 3 383.492 3.623 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1F ZINC000466473136 859653468 /nfs/dbraw/zinc/65/34/68/859653468.db2.gz KFADOPSYSAKUOW-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cnc(Cl)c(Br)c1 ZINC000765985279 859756454 /nfs/dbraw/zinc/75/64/54/859756454.db2.gz AZAUWPYUNQQRJM-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000765168188 859816615 /nfs/dbraw/zinc/81/66/15/859816615.db2.gz QSCWFRUSIQZODZ-OAHLLOKOSA-N -1 3 394.707 3.833 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1Cl ZINC000165263699 859975528 /nfs/dbraw/zinc/97/55/28/859975528.db2.gz HOHSYXFZBWMMAM-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cc2cccc(F)c2o1 ZINC000474391586 859981707 /nfs/dbraw/zinc/98/17/07/859981707.db2.gz JCWRVBWYPIGZEY-JTQLQIEISA-N -1 3 395.383 3.537 20 0 GHADHM CN(C(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1)C1CCCCC1 ZINC000436560483 860089806 /nfs/dbraw/zinc/08/98/06/860089806.db2.gz FXLKMSUNIIHGPH-UHFFFAOYSA-N -1 3 396.443 3.778 20 0 GHADHM Cc1nn(-c2ccccn2)c(Cl)c1CN[C@@H](Cc1c(C)cccc1C)C(=O)[O-] ZINC000904071615 860096091 /nfs/dbraw/zinc/09/60/91/860096091.db2.gz GCTZVBQXXUPGCV-SFHVURJKSA-N -1 3 398.894 3.631 20 0 GHADHM O=C([O-])CC[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000904072556 860097264 /nfs/dbraw/zinc/09/72/64/860097264.db2.gz NVFJYJACDQOYPQ-MRXNPFEDSA-N -1 3 390.281 3.812 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(c2ncnc3sccc32)CC1 ZINC000525924574 860134886 /nfs/dbraw/zinc/13/48/86/860134886.db2.gz KIONNJGXBFCXGT-UHFFFAOYSA-N -1 3 390.468 3.513 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cn2)C[C@@H](C)O1 ZINC000526031326 860142767 /nfs/dbraw/zinc/14/27/67/860142767.db2.gz UBMSOVKWXSLDBV-HUUCEWRRSA-N -1 3 377.444 3.806 20 0 GHADHM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000154492355 860144822 /nfs/dbraw/zinc/14/48/22/860144822.db2.gz FVBWZCGVEWIBEI-UHFFFAOYSA-N -1 3 396.534 3.564 20 0 GHADHM COc1ccccc1N1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527162572 860169983 /nfs/dbraw/zinc/16/99/83/860169983.db2.gz MISXSPIIDFVRQT-UHFFFAOYSA-N -1 3 376.456 3.953 20 0 GHADHM O=C(NCCOc1cccc(C(F)(F)F)n1)c1cc([O-])c2ccccc2c1 ZINC000527460951 860180483 /nfs/dbraw/zinc/18/04/83/860180483.db2.gz FVPYQMBQVWWEJU-UHFFFAOYSA-N -1 3 376.334 3.768 20 0 GHADHM CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000904194125 860220156 /nfs/dbraw/zinc/22/01/56/860220156.db2.gz USIGZTCJECYQAM-FQEVSTJZSA-N -1 3 397.519 3.681 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000602745528 860235169 /nfs/dbraw/zinc/23/51/69/860235169.db2.gz HNJSEYVSICTNPE-YPMHNXCESA-N -1 3 377.282 3.941 20 0 GHADHM CCO[C@@H]1C[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(CC)CC ZINC000904220252 860242655 /nfs/dbraw/zinc/24/26/55/860242655.db2.gz OOFUACPSMVMOCP-ZWKOTPCHSA-N -1 3 378.513 3.654 20 0 GHADHM CCCCO[C@H]1C[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC000904223653 860246982 /nfs/dbraw/zinc/24/69/82/860246982.db2.gz KLWYATZJOKCYCU-ROUUACIJSA-N -1 3 378.513 3.654 20 0 GHADHM CN(CCCOCc1ccccc1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904237528 860275561 /nfs/dbraw/zinc/27/55/61/860275561.db2.gz OILWAOGQEWVAFJ-UHFFFAOYSA-N -1 3 386.492 3.619 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000484754619 860323542 /nfs/dbraw/zinc/32/35/42/860323542.db2.gz SCEXDWQGLRRGIO-CJNGLKHVSA-N -1 3 387.427 3.519 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000484754618 860323738 /nfs/dbraw/zinc/32/37/38/860323738.db2.gz SCEXDWQGLRRGIO-BBRMVZONSA-N -1 3 387.427 3.519 20 0 GHADHM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000728015894 860353296 /nfs/dbraw/zinc/35/32/96/860353296.db2.gz RZMDRKYIISJGRE-KHPPLWFESA-N -1 3 389.864 3.952 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)C)s1 ZINC000484796460 860355809 /nfs/dbraw/zinc/35/58/09/860355809.db2.gz ZASVSQIUNHZUPN-MRXNPFEDSA-N -1 3 397.518 3.527 20 0 GHADHM CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000598507197 860368337 /nfs/dbraw/zinc/36/83/37/860368337.db2.gz RVWBFEGMIABFEJ-QHCPKHFHSA-N -1 3 392.455 3.515 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21 ZINC000624940611 860368967 /nfs/dbraw/zinc/36/89/67/860368967.db2.gz CQGHVCMHOQFISG-UHFFFAOYSA-N -1 3 398.475 3.769 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000474574590 860370434 /nfs/dbraw/zinc/37/04/34/860370434.db2.gz JMIPLWJZOFPZQZ-WBMJQRKESA-N -1 3 387.332 3.963 20 0 GHADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000474583672 860391998 /nfs/dbraw/zinc/39/19/98/860391998.db2.gz HVOGSWQSIFCAOO-NSHDSACASA-N -1 3 384.851 3.510 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc2ncccc21 ZINC000170664040 860533233 /nfs/dbraw/zinc/53/32/33/860533233.db2.gz MNIOWIIKIJYXOH-GOSISDBHSA-N -1 3 394.456 3.763 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(C3CCCCCC3)no2)ccc1F ZINC000904680561 860547809 /nfs/dbraw/zinc/54/78/09/860547809.db2.gz XKVGLCHXOGNFSC-UHFFFAOYSA-N -1 3 379.457 3.754 20 0 GHADHM O=C([N-][C@H](c1ccccn1)C1CC1)C(F)(F)c1ncccc1Br ZINC000928608821 860561292 /nfs/dbraw/zinc/56/12/92/860561292.db2.gz VQFUZMMOZZAUOL-ZDUSSCGKSA-N -1 3 382.208 3.598 20 0 GHADHM COc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C)c1OC ZINC000509064788 860770494 /nfs/dbraw/zinc/77/04/94/860770494.db2.gz KSENMWORGMXULJ-UHFFFAOYSA-N -1 3 378.388 3.796 20 0 GHADHM COc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C)c1OC ZINC000509064788 860770500 /nfs/dbraw/zinc/77/05/00/860770500.db2.gz KSENMWORGMXULJ-UHFFFAOYSA-N -1 3 378.388 3.796 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2csc3ccccc32)c1 ZINC000730018226 860841546 /nfs/dbraw/zinc/84/15/46/860841546.db2.gz QXQUGRRSEXDZHG-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM O=C(Nc1ccc2c(c1)C=CCCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000667857315 860899066 /nfs/dbraw/zinc/89/90/66/860899066.db2.gz ICESAJHLNBKZCD-UHFFFAOYSA-N -1 3 391.471 3.732 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cnc2ccccc2c1 ZINC000509090653 860948875 /nfs/dbraw/zinc/94/88/75/860948875.db2.gz RYPLFLWVUYBIQE-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(-c2nc(C)no2)c(Cl)cc1Cl ZINC000603641240 860970171 /nfs/dbraw/zinc/97/01/71/860970171.db2.gz YCVMJJHTVZPTMZ-QMMMGPOBSA-N -1 3 378.281 3.819 20 0 GHADHM Cc1ccc2c(COC(=O)c3cccc(Br)c3[O-])cc(=O)oc2c1 ZINC000730364590 861074663 /nfs/dbraw/zinc/07/46/63/861074663.db2.gz OROGZOUTJOXHPV-UHFFFAOYSA-N -1 3 389.201 3.927 20 0 GHADHM 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CC[C@@](C)([N-]S(=O)(=O)c1sccc1Br)c1nc(C)cs1 ZINC000173373983 882357228 /nfs/dbraw/zinc/35/72/28/882357228.db2.gz WJWGDKIBDJLRPB-GFCCVEGCSA-N -1 3 395.369 3.879 20 0 GHADHM CCc1ccc(N(CC)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000746169006 870101784 /nfs/dbraw/zinc/10/17/84/870101784.db2.gz SPSODXOOXDZADD-UHFFFAOYSA-N -1 3 385.489 3.669 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c([O-])c1 ZINC000540027651 870239387 /nfs/dbraw/zinc/23/93/87/870239387.db2.gz PDPDNYGOWBRASX-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001192265278 870248430 /nfs/dbraw/zinc/24/84/30/870248430.db2.gz MLDWBCJQALNQRK-UHFFFAOYSA-N -1 3 379.787 3.558 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC(C)(C)C1 ZINC000173679415 882391078 /nfs/dbraw/zinc/39/10/78/882391078.db2.gz LKPJXPNHOMQCGL-UHFFFAOYSA-N -1 3 390.480 3.807 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc(OCc2ccccc2)n1 ZINC001192351114 870311749 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Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461625797 870651804 /nfs/dbraw/zinc/65/18/04/870651804.db2.gz JNGANMCPLHAMSI-KGLIPLIRSA-N -1 3 379.460 3.511 20 0 GHADHM O=S(=O)([N-]c1cnn(C(F)F)c1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000766376941 870685577 /nfs/dbraw/zinc/68/55/77/870685577.db2.gz VMZSRNFPIZLHAS-UHFFFAOYSA-N -1 3 391.346 3.609 20 0 GHADHM CN1CCN(Cn2c(=S)[n-]nc2Cc2cccs2)[C@H](c2ccccc2)C1 ZINC000069375399 870708371 /nfs/dbraw/zinc/70/83/71/870708371.db2.gz LGTPEJLSFVAGNR-KRWDZBQOSA-N -1 3 385.562 3.539 20 0 GHADHM CN1CCC(N(Cc2ccc(F)cc2)C(=O)c2cc(F)c([O-])cc2F)CC1 ZINC001192872690 870713362 /nfs/dbraw/zinc/71/33/62/870713362.db2.gz RJZTWGSHKXWEJU-UHFFFAOYSA-N -1 3 378.394 3.546 20 0 GHADHM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1C ZINC000525460433 870725420 /nfs/dbraw/zinc/72/54/20/870725420.db2.gz AOAYHSAZVOXPRG-UHFFFAOYSA-N -1 3 391.386 3.683 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540219460 870798635 /nfs/dbraw/zinc/79/86/35/870798635.db2.gz GGQJGDIEAXLUCR-VIFPVBQESA-N -1 3 384.445 3.547 20 0 GHADHM CCCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1cccc(C)c1 ZINC000446977820 870798961 /nfs/dbraw/zinc/79/89/61/870798961.db2.gz RYGKHYCRXWLWGY-UHFFFAOYSA-N -1 3 393.491 3.817 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)c[n-]c12 ZINC000804289110 870802868 /nfs/dbraw/zinc/80/28/68/870802868.db2.gz NXCOMKRFSHJIKE-UHFFFAOYSA-N -1 3 395.434 3.756 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2F)n1 ZINC000525534814 870877357 /nfs/dbraw/zinc/87/73/57/870877357.db2.gz RVLLBUROFSXFFD-UHFFFAOYSA-N -1 3 396.447 3.977 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2cccc(C)c2)cc1 ZINC001193059121 870881451 /nfs/dbraw/zinc/88/14/51/870881451.db2.gz OOSYJGBWORPIOR-UHFFFAOYSA-N -1 3 377.462 3.871 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)cc1F ZINC000122161922 882454098 /nfs/dbraw/zinc/45/40/98/882454098.db2.gz VREDPLWMDBNBSH-MRXNPFEDSA-N -1 3 380.441 3.798 20 0 GHADHM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(Br)c(=O)[n-]1 ZINC001193152618 870921538 /nfs/dbraw/zinc/92/15/38/870921538.db2.gz BUVATBYOZLGCQD-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM C[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(-c2cccc(F)c2)no1 ZINC001193155267 870924696 /nfs/dbraw/zinc/92/46/96/870924696.db2.gz UPSGHTSAWYCMLN-CYBMUJFWSA-N -1 3 391.406 3.889 20 0 GHADHM COc1ccc(CNC(=O)c2ccc(Br)c(=O)[n-]2)c2ccccc12 ZINC001193163332 870928311 /nfs/dbraw/zinc/92/83/11/870928311.db2.gz UXCKFBYPSZUJLC-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM Cc1c(C(F)(F)F)cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C(F)(F)F ZINC001193278773 871000063 /nfs/dbraw/zinc/00/00/63/871000063.db2.gz BKDCYSZSWZFNOK-SNVBAGLBSA-N -1 3 391.333 3.953 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(Cl)c1 ZINC001193350711 871036240 /nfs/dbraw/zinc/03/62/40/871036240.db2.gz RTGQGBGWODIDJF-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1ccc(Cl)nc1Cl ZINC000766543968 871041324 /nfs/dbraw/zinc/04/13/24/871041324.db2.gz KFQZFVDWGBUFHY-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000509641594 871056104 /nfs/dbraw/zinc/05/61/04/871056104.db2.gz YAPRIJADAXIJJR-GJZGRUSLSA-N -1 3 379.382 3.942 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(c3ccc(F)cc3)CCOCC2)[nH][n-]1 ZINC000540418842 871230959 /nfs/dbraw/zinc/23/09/59/871230959.db2.gz APINHBQMRFZNCG-UHFFFAOYSA-N -1 3 379.435 3.633 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001193733087 871249997 /nfs/dbraw/zinc/24/99/97/871249997.db2.gz DYPILFDVXXIBJU-UHFFFAOYSA-N -1 3 386.320 3.652 20 0 GHADHM COc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C)o3)CCCCC2)cc1OC ZINC000539106488 871279376 /nfs/dbraw/zinc/27/93/76/871279376.db2.gz ZZFADAABNOPZJM-UHFFFAOYSA-N -1 3 393.505 3.786 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc(F)cc(Br)c1 ZINC001193823356 871327985 /nfs/dbraw/zinc/32/79/85/871327985.db2.gz QHTDMXVHFHBDHH-SECBINFHSA-N -1 3 386.233 3.692 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)[n-]1 ZINC000793961422 882502560 /nfs/dbraw/zinc/50/25/60/882502560.db2.gz ZXMJHRKJNZOVIE-UHFFFAOYSA-N -1 3 383.379 3.653 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c[n-]1 ZINC000793961422 882502570 /nfs/dbraw/zinc/50/25/70/882502570.db2.gz ZXMJHRKJNZOVIE-UHFFFAOYSA-N -1 3 383.379 3.653 20 0 GHADHM CCOC(=O)[C@H](NC(=O)c1c(C)cc(O)cc1[O-])c1cccc2ccccc21 ZINC001193945690 871422960 /nfs/dbraw/zinc/42/29/60/871422960.db2.gz IALUNQLVMPZDQJ-HXUWFJFHSA-N -1 3 379.412 3.594 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](CCO)c1cccc2ccccc21 ZINC001169423644 871479789 /nfs/dbraw/zinc/47/97/89/871479789.db2.gz HKVLSVINYCAORW-SFHVURJKSA-N -1 3 375.432 3.564 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](CCO)c1cccc2ccccc21 ZINC001169423644 871479796 /nfs/dbraw/zinc/47/97/96/871479796.db2.gz HKVLSVINYCAORW-SFHVURJKSA-N -1 3 375.432 3.564 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1 ZINC000539195135 871512836 /nfs/dbraw/zinc/51/28/36/871512836.db2.gz ROQMIHCZVMEVND-UHFFFAOYSA-N -1 3 389.395 3.883 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000539223073 871536616 /nfs/dbraw/zinc/53/66/16/871536616.db2.gz TXPUOVHGJDLYMZ-ZBFHGGJFSA-N -1 3 390.263 3.941 20 0 GHADHM Cc1cc(C(=O)NN=c2ccc(Cl)n[n-]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181891477 871591133 /nfs/dbraw/zinc/59/11/33/871591133.db2.gz ONRJDOGKWJWJDT-UHFFFAOYSA-N -1 3 397.653 3.688 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC001194283174 871624818 /nfs/dbraw/zinc/62/48/18/871624818.db2.gz OCKOZWDZFHGPLJ-GFCCVEGCSA-N -1 3 394.509 3.503 20 0 GHADHM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)cc1 ZINC001194381032 871659570 /nfs/dbraw/zinc/65/95/70/871659570.db2.gz RWFFMFCKNACXFD-UHFFFAOYSA-N -1 3 391.880 3.851 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1oc2ccccc2c1Br ZINC001169581527 871674977 /nfs/dbraw/zinc/67/49/77/871674977.db2.gz QMBSJRHOQVZRJV-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1oc2ccccc2c1Br ZINC001169581527 871674985 /nfs/dbraw/zinc/67/49/85/871674985.db2.gz QMBSJRHOQVZRJV-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001169581419 871675295 /nfs/dbraw/zinc/67/52/95/871675295.db2.gz QFBZTGDKOTUYIK-UHFFFAOYSA-N -1 3 392.806 3.540 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001169581419 871675302 /nfs/dbraw/zinc/67/53/02/871675302.db2.gz QFBZTGDKOTUYIK-UHFFFAOYSA-N -1 3 392.806 3.540 20 0 GHADHM O=C1C(N2CCOCC2)=CCCN1c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593661 871791511 /nfs/dbraw/zinc/79/15/11/871791511.db2.gz CRSABECFERNEBZ-UHFFFAOYSA-N -1 3 399.878 3.742 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Oc1ccc2ccccc2c1)OCC ZINC001194632024 871838043 /nfs/dbraw/zinc/83/80/43/871838043.db2.gz LTYPKUMFZYIJLZ-UHFFFAOYSA-N -1 3 397.431 3.888 20 0 GHADHM Cc1noc([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000552057421 871948609 /nfs/dbraw/zinc/94/86/09/871948609.db2.gz UCVGDTCXXVNHIT-LBPRGKRZSA-N -1 3 383.433 3.685 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc(OC)c1[O-] ZINC000618791070 871995662 /nfs/dbraw/zinc/99/56/62/871995662.db2.gz OIFOGLQRNFGQHV-SFHVURJKSA-N -1 3 389.423 3.541 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(C)c(CC)s3)c2)[n-]1 ZINC000447688936 872121506 /nfs/dbraw/zinc/12/15/06/872121506.db2.gz ZMGGWWUVUOCGSO-UHFFFAOYSA-N -1 3 398.488 3.511 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(C)c(CC)s3)c2)n[n-]1 ZINC000447688936 872121513 /nfs/dbraw/zinc/12/15/13/872121513.db2.gz ZMGGWWUVUOCGSO-UHFFFAOYSA-N -1 3 398.488 3.511 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1Br)c1ccc(Cl)s1 ZINC000507296964 872146899 /nfs/dbraw/zinc/14/68/99/872146899.db2.gz YHNMKICWHDWDSI-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)[n-]1 ZINC000618920577 872158541 /nfs/dbraw/zinc/15/85/41/872158541.db2.gz YGXCFHSDGWSTEX-UHFFFAOYSA-N -1 3 398.366 3.776 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c[n-]1 ZINC000618920577 872158554 /nfs/dbraw/zinc/15/85/54/872158554.db2.gz YGXCFHSDGWSTEX-UHFFFAOYSA-N -1 3 398.366 3.776 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1cccc(-n2cccn2)c1 ZINC000767086663 872255126 /nfs/dbraw/zinc/25/51/26/872255126.db2.gz IFACDAZDTWSVBO-LLVKDONJSA-N -1 3 397.287 3.614 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1OC ZINC000447775494 872262753 /nfs/dbraw/zinc/26/27/53/872262753.db2.gz DPMKAXUUXPZWLD-UHFFFAOYSA-N -1 3 397.321 3.802 20 0 GHADHM CS(=O)(=O)c1cc(F)c([N-]C(=O)c2sccc2C(F)(F)F)cc1F ZINC001195217539 872264231 /nfs/dbraw/zinc/26/42/31/872264231.db2.gz JHKQSTOCMKGHRD-UHFFFAOYSA-N -1 3 385.335 3.701 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000094098762 872539205 /nfs/dbraw/zinc/53/92/05/872539205.db2.gz MVDYHKKTCBJLOT-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000494613652 882626639 /nfs/dbraw/zinc/62/66/39/882626639.db2.gz GCGHPKDFTKPTLI-MRXNPFEDSA-N -1 3 383.778 3.861 20 0 GHADHM O=S(=O)([N-]c1ccc2nccc(Br)c2c1)c1ccc(O)cc1 ZINC001195754967 872610727 /nfs/dbraw/zinc/61/07/27/872610727.db2.gz FWPKACGXHOKKCQ-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)[n-]1 ZINC000619446215 872633590 /nfs/dbraw/zinc/63/35/90/872633590.db2.gz ACVVBKJFZZTIQE-UHFFFAOYSA-N -1 3 375.856 3.981 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)c[n-]1 ZINC000619446215 872633593 /nfs/dbraw/zinc/63/35/93/872633593.db2.gz ACVVBKJFZZTIQE-UHFFFAOYSA-N -1 3 375.856 3.981 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)[n-]1 ZINC000619449620 872666134 /nfs/dbraw/zinc/66/61/34/872666134.db2.gz OWQKBJKMCQMBIU-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c[n-]1 ZINC000619449620 872666145 /nfs/dbraw/zinc/66/61/45/872666145.db2.gz OWQKBJKMCQMBIU-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c1 ZINC000122622792 882638976 /nfs/dbraw/zinc/63/89/76/882638976.db2.gz HBGZCJSODZJKKW-CYBMUJFWSA-N -1 3 380.448 3.772 20 0 GHADHM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667303822 872682565 /nfs/dbraw/zinc/68/25/65/872682565.db2.gz DLUZBKUHDNCCKW-UHFFFAOYSA-N -1 3 392.459 3.717 20 0 GHADHM O=S(=O)(NCc1cc(C(F)(F)F)cc(Cl)c1F)c1ccc([O-])cc1 ZINC001195829810 872699006 /nfs/dbraw/zinc/69/90/06/872699006.db2.gz VIMQLKYXJRQTJC-UHFFFAOYSA-N -1 3 383.750 3.682 20 0 GHADHM O=S(=O)(NC1(Cc2ccc(C(F)(F)F)cc2)CCC1)c1ccc([O-])cc1 ZINC001195835935 872703688 /nfs/dbraw/zinc/70/36/88/872703688.db2.gz PVGJOUSECKNTAW-UHFFFAOYSA-N -1 3 385.407 3.855 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000521951830 882645375 /nfs/dbraw/zinc/64/53/75/882645375.db2.gz RWGKEYWUYFBBNJ-UHFFFAOYSA-N -1 3 399.428 3.738 20 0 GHADHM O=C(CCCC1CCOCC1)Nc1cc(I)ccc1[O-] ZINC000619615048 872785498 /nfs/dbraw/zinc/78/54/98/872785498.db2.gz NXYHLNGOULNYGI-UHFFFAOYSA-N -1 3 389.233 3.532 20 0 GHADHM CCc1nn(C)c(Cl)c1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000767839187 872885047 /nfs/dbraw/zinc/88/50/47/872885047.db2.gz CCHRPKCFXRZNAS-MRVPVSSYSA-N -1 3 394.884 3.881 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)C1CCC1)c1ccc(Br)cn1 ZINC001196183007 872937993 /nfs/dbraw/zinc/93/79/93/872937993.db2.gz URQWCIIOVLMSSY-INIZCTEOSA-N -1 3 399.285 3.803 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1Cl)c1cccc(Br)n1 ZINC001196324448 873033260 /nfs/dbraw/zinc/03/32/60/873033260.db2.gz ZGSFWJRHFDJBGA-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Cc1cnc(Cl)c(NC(=O)c2cc([O-])cc(I)c2)c1 ZINC001196398612 873074625 /nfs/dbraw/zinc/07/46/25/873074625.db2.gz GNUWUNLZSGKUKN-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM CCCCc1nc(NC(=O)C[C@@H](C)c2c(C)noc2C)c(C(=O)OCC)[n-]1 ZINC000191962671 882684511 /nfs/dbraw/zinc/68/45/11/882684511.db2.gz AXOLDLHURGHRSA-LLVKDONJSA-N -1 3 376.457 3.666 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2F)cc1 ZINC001196462369 873144395 /nfs/dbraw/zinc/14/43/95/873144395.db2.gz KBQWWYXNWWLUSB-UHFFFAOYSA-N -1 3 385.392 3.508 20 0 GHADHM CC1(C)CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000527486856 873157573 /nfs/dbraw/zinc/15/75/73/873157573.db2.gz ZEICXAYQSKIFNK-LBPRGKRZSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC001196522294 873160702 /nfs/dbraw/zinc/16/07/02/873160702.db2.gz FLSQGPHVZQUIQV-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000768287760 873210905 /nfs/dbraw/zinc/21/09/05/873210905.db2.gz RNDYCGQLJUZJLR-VAWYXSNFSA-N -1 3 393.270 3.649 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196576595 873236196 /nfs/dbraw/zinc/23/61/96/873236196.db2.gz IKOCNELHQMWOQX-UHFFFAOYSA-N -1 3 390.209 3.762 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)cc2)n1 ZINC000116004692 873257840 /nfs/dbraw/zinc/25/78/40/873257840.db2.gz FBJBWBRORRXNHI-CABCVRRESA-N -1 3 381.382 3.766 20 0 GHADHM Cc1nc(NC(=O)c2cccc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)cc(=O)[n-]1 ZINC001196684306 873283944 /nfs/dbraw/zinc/28/39/44/873283944.db2.gz KZRMUHCVEFOEEH-MRXNPFEDSA-N -1 3 398.463 3.815 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(SC(F)(F)F)cc2)c1 ZINC001196777450 873384642 /nfs/dbraw/zinc/38/46/42/873384642.db2.gz MOJNOGDJMPDQFW-UHFFFAOYSA-N -1 3 395.399 3.925 20 0 GHADHM O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000768558612 873387054 /nfs/dbraw/zinc/38/70/54/873387054.db2.gz SNCYFBXQJZBMTP-HSZRJFAPSA-N -1 3 384.435 3.659 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)nc(Cl)nc2Cl)c(C)c1 ZINC001196849359 873407125 /nfs/dbraw/zinc/40/71/25/873407125.db2.gz WRQNUFDVPIYBCY-UHFFFAOYSA-N -1 3 376.265 3.518 20 0 GHADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000541431902 873569294 /nfs/dbraw/zinc/56/92/94/873569294.db2.gz CZSWICZKZGMLFL-UHFFFAOYSA-N -1 3 394.479 3.604 20 0 GHADHM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768880238 873643523 /nfs/dbraw/zinc/64/35/23/873643523.db2.gz ARZOQLWQNXVEKF-KTKRTIGZSA-N -1 3 389.864 3.952 20 0 GHADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000541483282 873665518 /nfs/dbraw/zinc/66/55/18/873665518.db2.gz QWGYDKVBRMRYOI-MRXNPFEDSA-N -1 3 392.887 3.739 20 0 GHADHM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134122874 882746933 /nfs/dbraw/zinc/74/69/33/882746933.db2.gz BNJQRHYEVHNHIM-AWEZNQCLSA-N -1 3 398.406 3.645 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000527888971 873719901 /nfs/dbraw/zinc/71/99/01/873719901.db2.gz VHZPGYPXOYDMHI-SFHVURJKSA-N -1 3 390.277 3.741 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000134148532 882757712 /nfs/dbraw/zinc/75/77/12/882757712.db2.gz JHAUXIAQRDYWGI-AWEZNQCLSA-N -1 3 392.377 3.902 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2ccccc2NC(=O)OC(C)(C)C)c1 ZINC001197380615 873788120 /nfs/dbraw/zinc/78/81/20/873788120.db2.gz NJQUWMRHXBMXKU-UHFFFAOYSA-N -1 3 392.477 3.984 20 0 GHADHM O=S(=O)(Cc1cccnc1)[N-]c1c(Br)cccc1C(F)(F)F ZINC001197464774 873819616 /nfs/dbraw/zinc/81/96/16/873819616.db2.gz OCOLYOKVGDTYCS-UHFFFAOYSA-N -1 3 395.200 3.805 20 0 GHADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000464408742 873826312 /nfs/dbraw/zinc/82/63/12/873826312.db2.gz RWXBAOHIKVGORQ-CQSZACIVSA-N -1 3 396.915 3.983 20 0 GHADHM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cc1 ZINC001197527318 873856433 /nfs/dbraw/zinc/85/64/33/873856433.db2.gz WDIMFURPJKBUQE-UHFFFAOYSA-N -1 3 399.299 3.828 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)c1cc(F)cc(F)c1 ZINC001197556744 873896731 /nfs/dbraw/zinc/89/67/31/873896731.db2.gz SWUZWCLWFZIOMM-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000769469674 874091136 /nfs/dbraw/zinc/09/11/36/874091136.db2.gz OWMVPXUUHPGOOT-UHFFFAOYSA-N -1 3 381.382 3.933 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000541724925 874172144 /nfs/dbraw/zinc/17/21/44/874172144.db2.gz NDRQCOMGCNRISY-RYUDHWBXSA-N -1 3 381.457 3.522 20 0 GHADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1nnc2ccccc2c1[O-] ZINC000775820693 874197617 /nfs/dbraw/zinc/19/76/17/874197617.db2.gz SGFPUQBSWWJPHB-UHFFFAOYSA-N -1 3 381.395 3.927 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)C(F)(F)F ZINC000769662217 874219243 /nfs/dbraw/zinc/21/92/43/874219243.db2.gz LYLKBCJXEMRJLI-SFHVURJKSA-N -1 3 395.381 3.551 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000769847625 874323519 /nfs/dbraw/zinc/32/35/19/874323519.db2.gz WYSLIADICJOHNB-CYBMUJFWSA-N -1 3 383.395 3.548 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H](C)C[C@H]3C)c2)c1 ZINC000769910435 874336384 /nfs/dbraw/zinc/33/63/84/874336384.db2.gz LEMOKEQYXLQIQE-UONOGXRCSA-N -1 3 398.459 3.532 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])cc(Br)c2)N2CCCC2)o1 ZINC000528345136 874400184 /nfs/dbraw/zinc/40/01/84/874400184.db2.gz PEPQJQJNWDMSEL-MRXNPFEDSA-N -1 3 393.281 3.623 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000858082323 882827639 /nfs/dbraw/zinc/82/76/39/882827639.db2.gz SJDSGVIMTHCWRH-VIFPVBQESA-N -1 3 399.230 3.667 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C1CC1 ZINC000541888544 874466736 /nfs/dbraw/zinc/46/67/36/874466736.db2.gz BVVCKQDHVGBDOD-RDTXWAMCSA-N -1 3 396.491 3.680 20 0 GHADHM COc1ccccc1-n1nc(C)c(C(=O)Nc2c([O-])cccc2C(C)=O)c1C ZINC001198615999 874523059 /nfs/dbraw/zinc/52/30/59/874523059.db2.gz QCTLPGXOCHOAIU-UHFFFAOYSA-N -1 3 379.416 3.658 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC001198651353 874546103 /nfs/dbraw/zinc/54/61/03/874546103.db2.gz YIOJWCODNBLBKY-UHFFFAOYSA-N -1 3 388.876 3.812 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000770405853 874651761 /nfs/dbraw/zinc/65/17/61/874651761.db2.gz LRITUFAOUUBZJH-ZDUSSCGKSA-N -1 3 386.448 3.614 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775916679 874682652 /nfs/dbraw/zinc/68/26/52/874682652.db2.gz IRBUZYCMJDGBHZ-DAFODLJHSA-N -1 3 398.694 3.825 20 0 GHADHM Cc1nc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1[C@H](C)O ZINC000770539155 874751102 /nfs/dbraw/zinc/75/11/02/874751102.db2.gz SCDFZFQRQLROIV-INIZCTEOSA-N -1 3 376.456 3.670 20 0 GHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccccc1OC(F)F ZINC000775934708 874794537 /nfs/dbraw/zinc/79/45/37/874794537.db2.gz CPYONADUSXHQOW-VIFPVBQESA-N -1 3 385.750 3.831 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1c(F)ccnc1F ZINC001129484305 882878225 /nfs/dbraw/zinc/87/82/25/882878225.db2.gz SVKFUSHLNOJTPD-UHFFFAOYSA-N -1 3 380.757 3.958 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2Cc3ccccc3[C@@H]2C)cc1OC ZINC000542108080 874975223 /nfs/dbraw/zinc/97/52/23/874975223.db2.gz RAKMBXLCPBGBIV-ZDUSSCGKSA-N -1 3 389.477 3.566 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(SC2CC2)cc1 ZINC000542162273 875093651 /nfs/dbraw/zinc/09/36/51/875093651.db2.gz HBNDZLCVENGRTO-UHFFFAOYSA-N -1 3 396.512 3.681 20 0 GHADHM Cc1ccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c(=O)n1C ZINC000771249658 875122275 /nfs/dbraw/zinc/12/22/75/875122275.db2.gz PNTCDJFIRADHKG-UHFFFAOYSA-N -1 3 389.411 3.695 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000005061211 875212294 /nfs/dbraw/zinc/21/22/94/875212294.db2.gz JBZDWVCSVMCUSO-UHFFFAOYSA-N -1 3 389.451 3.821 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000542240345 875232779 /nfs/dbraw/zinc/23/27/79/875232779.db2.gz AFAJETFFWXCFBC-HNNXBMFYSA-N -1 3 395.349 3.693 20 0 GHADHM [O-]c1ccc(NC(=S)NCC2CCCCC2)cc1I ZINC001199922858 875241505 /nfs/dbraw/zinc/24/15/05/875241505.db2.gz LTLJIRQSDCDXRI-UHFFFAOYSA-N -1 3 390.290 3.864 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000542254240 875257686 /nfs/dbraw/zinc/25/76/86/875257686.db2.gz QSPLDJQPJDQIMO-CQSZACIVSA-N -1 3 378.432 3.843 20 0 GHADHM CCCCCn1cc(CNC(=O)c2cc([O-])cc(Br)c2)c(C)n1 ZINC000528945282 875320377 /nfs/dbraw/zinc/32/03/77/875320377.db2.gz RQNUHMQSBFKJLE-UHFFFAOYSA-N -1 3 380.286 3.780 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(Cl)ccc3O)nc(=O)c2c1C ZINC000005360164 875351024 /nfs/dbraw/zinc/35/10/24/875351024.db2.gz BCOCEKNESZMNGT-QMMMGPOBSA-N -1 3 378.837 3.878 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCOCC1 ZINC000475737502 882935319 /nfs/dbraw/zinc/93/53/19/882935319.db2.gz DMPZOBXZMBJBQV-UHFFFAOYSA-N -1 3 395.471 3.608 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)c(=O)[n-]1 ZINC000542413406 875520786 /nfs/dbraw/zinc/52/07/86/875520786.db2.gz NETPGWHONQJWCL-ZDUSSCGKSA-N -1 3 380.423 3.857 20 0 GHADHM CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC001201401561 875658089 /nfs/dbraw/zinc/65/80/89/875658089.db2.gz HUJAFOROWCCYMT-UHFFFAOYSA-N -1 3 397.884 3.599 20 0 GHADHM CO[C@@H](C)c1nsc([N-]C(=O)c2cnn(-c3ccccc3C)c2C(F)F)n1 ZINC000653793732 875751827 /nfs/dbraw/zinc/75/18/27/875751827.db2.gz CAJRJFLDIDZTBU-JTQLQIEISA-N -1 3 393.419 3.930 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)nc1Cl)c1ccc(Oc2ccncc2)cc1 ZINC001201593913 875772984 /nfs/dbraw/zinc/77/29/84/875772984.db2.gz BSWHMNKFTDGMQK-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1cccc(F)c1Br ZINC001201781069 875878756 /nfs/dbraw/zinc/87/87/56/875878756.db2.gz HNXQIHYWLRVTKP-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2Br)cc1C ZINC001201787525 875883820 /nfs/dbraw/zinc/88/38/20/875883820.db2.gz DBNCLZJLULYWJL-UHFFFAOYSA-N -1 3 386.286 3.726 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C2CC2)c1)c1cccc(F)c1Br ZINC001201790100 875885644 /nfs/dbraw/zinc/88/56/44/875885644.db2.gz NGUFBWBENINTKP-UHFFFAOYSA-N -1 3 384.270 3.944 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])Nc1c(F)cccc1F ZINC001202044311 875977269 /nfs/dbraw/zinc/97/72/69/875977269.db2.gz SJUQMKHVOMBHNR-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000492070069 876168442 /nfs/dbraw/zinc/16/84/42/876168442.db2.gz RJJFAHSCTNTVSC-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=[S@@](Cc1nnc(-c2ccccc2Br)o1)c1ccc([O-])cc1 ZINC000173154056 876213641 /nfs/dbraw/zinc/21/36/41/876213641.db2.gz LWNJGLPGVYTHGU-QFIPXVFZSA-N -1 3 379.235 3.513 20 0 GHADHM Cc1cc(Br)c(C(=O)[N-]N2Cc3ccccc3C2=O)cc1Cl ZINC000804547323 883007007 /nfs/dbraw/zinc/00/70/07/883007007.db2.gz VBUQCCKJBXWDIJ-UHFFFAOYSA-N -1 3 379.641 3.712 20 0 GHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000786031238 876418334 /nfs/dbraw/zinc/41/83/34/876418334.db2.gz KHTSVZZMNWUBKI-RXMQYKEDSA-N -1 3 388.248 3.640 20 0 GHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000786032899 876419294 /nfs/dbraw/zinc/41/92/94/876419294.db2.gz FVVXUPIQHIGYEJ-SECBINFHSA-N -1 3 382.294 3.844 20 0 GHADHM COCCn1c(C)cc(C(=O)COC(=O)c2cc3sccc3c([O-])c2)c1C ZINC000786139466 876467808 /nfs/dbraw/zinc/46/78/08/876467808.db2.gz IBEWXYMMZVVAAT-UHFFFAOYSA-N -1 3 387.457 3.711 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000450524264 876568388 /nfs/dbraw/zinc/56/83/88/876568388.db2.gz BVFDEMTYYMOUCV-KRWDZBQOSA-N -1 3 383.341 3.693 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000492288655 876581654 /nfs/dbraw/zinc/58/16/54/876581654.db2.gz HRUHBCZHVBJZQR-MRXNPFEDSA-N -1 3 384.439 3.967 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(C3CCCC3)nc2C)s1 ZINC000173702630 876583106 /nfs/dbraw/zinc/58/31/06/876583106.db2.gz HHNLTRASWZXBFK-UHFFFAOYSA-N -1 3 394.522 3.709 20 0 GHADHM CCCOc1ccc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1OCCC ZINC000492351376 876666836 /nfs/dbraw/zinc/66/68/36/876666836.db2.gz LUHZJDQNXIHGAR-UHFFFAOYSA-N -1 3 380.448 3.724 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc3c(c2)CCCO3)cc1[N-]S(C)(=O)=O ZINC000850455677 876938589 /nfs/dbraw/zinc/93/85/89/876938589.db2.gz NUDBDVYMROFWPE-CYBMUJFWSA-N -1 3 376.478 3.565 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000787011989 877082004 /nfs/dbraw/zinc/08/20/04/877082004.db2.gz YWWHKTMBTNNCQD-JOCHJYFZSA-N -1 3 389.442 3.965 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1)c1ccc(F)cc1 ZINC000530133487 877180577 /nfs/dbraw/zinc/18/05/77/877180577.db2.gz FQMNVLVBWJCLEI-SFHVURJKSA-N -1 3 394.468 3.550 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(C)C ZINC000530134698 877185203 /nfs/dbraw/zinc/18/52/03/877185203.db2.gz RFXMLLCOIHFGKO-UHFFFAOYSA-N -1 3 385.432 3.914 20 0 GHADHM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787194763 877242425 /nfs/dbraw/zinc/24/24/25/877242425.db2.gz IACCCAVXAUABQV-UHFFFAOYSA-N -1 3 399.466 3.582 20 0 GHADHM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000609985968 877251793 /nfs/dbraw/zinc/25/17/93/877251793.db2.gz WTVXVMFNLKCNMT-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c1Cl ZINC000551486270 877293038 /nfs/dbraw/zinc/29/30/38/877293038.db2.gz JICCEUNCCHMWFF-UHFFFAOYSA-N -1 3 397.230 3.777 20 0 GHADHM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000787266224 877304711 /nfs/dbraw/zinc/30/47/11/877304711.db2.gz ZIDRWMKSBUBQME-JQHSSLGASA-N -1 3 388.508 3.720 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C)(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787306499 877332333 /nfs/dbraw/zinc/33/23/33/877332333.db2.gz GAUTYRLUXVXWRZ-UHFFFAOYSA-N -1 3 394.487 3.760 20 0 GHADHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000530262594 877374144 /nfs/dbraw/zinc/37/41/44/877374144.db2.gz USRZEAHNDANXCK-SECBINFHSA-N -1 3 397.184 3.829 20 0 GHADHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000530262594 877374153 /nfs/dbraw/zinc/37/41/53/877374153.db2.gz USRZEAHNDANXCK-SECBINFHSA-N -1 3 397.184 3.829 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000776517088 877416221 /nfs/dbraw/zinc/41/62/21/877416221.db2.gz YNCYVQPRKAWQLV-CJNGLKHVSA-N -1 3 395.475 3.509 20 0 GHADHM COC(C)(C)CCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000787644646 877527556 /nfs/dbraw/zinc/52/75/56/877527556.db2.gz OINADLPGNZFLAJ-IBGZPJMESA-N -1 3 385.460 3.612 20 0 GHADHM C[C@H](Oc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1)c1ccccc1 ZINC000615345898 877642870 /nfs/dbraw/zinc/64/28/70/877642870.db2.gz BVIDILPAJZYNQZ-AWEZNQCLSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@H](Oc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1)c1ccccc1 ZINC000615345898 877642875 /nfs/dbraw/zinc/64/28/75/877642875.db2.gz BVIDILPAJZYNQZ-AWEZNQCLSA-N -1 3 386.415 3.654 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000787846650 877667622 /nfs/dbraw/zinc/66/76/22/877667622.db2.gz XXDDCRGBTVVBLF-FQEVSTJZSA-N -1 3 385.435 3.588 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)cc1Cl ZINC000175413775 877690008 /nfs/dbraw/zinc/69/00/08/877690008.db2.gz XODRXTPULDQKPH-VXGBXAGGSA-N -1 3 398.887 3.908 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)c([O-])c1 ZINC000530406764 877736353 /nfs/dbraw/zinc/73/63/53/877736353.db2.gz XTPKVGXILNCNEY-SFHVURJKSA-N -1 3 389.414 3.737 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000788206239 877914736 /nfs/dbraw/zinc/91/47/36/877914736.db2.gz WCYOZZOAKADIBY-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1c(Cl)cccc1Cl)c1cc(F)ccc1Cl ZINC000751438106 877957329 /nfs/dbraw/zinc/95/73/29/877957329.db2.gz QMPDVSSVWYECSJ-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc2sccc2c([O-])c1 ZINC000788291532 877998463 /nfs/dbraw/zinc/99/84/63/877998463.db2.gz VHAJVCANTOVQFL-UHFFFAOYSA-N -1 3 382.485 3.734 20 0 GHADHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2)c1)N1CCCCC1 ZINC000551934260 878016898 /nfs/dbraw/zinc/01/68/98/878016898.db2.gz CGMNBUDMFXAMMQ-UHFFFAOYSA-N -1 3 384.910 3.828 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000176190189 878137038 /nfs/dbraw/zinc/13/70/38/878137038.db2.gz GNNLLLIZDZHFMA-GOSISDBHSA-N -1 3 377.444 3.850 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000530649336 878240659 /nfs/dbraw/zinc/24/06/59/878240659.db2.gz QRSMWJNRGXDNFT-MSOLQXFVSA-N -1 3 384.480 3.825 20 0 GHADHM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1CCC[N-]C(=O)C(F)(F)F ZINC000852543835 878413871 /nfs/dbraw/zinc/41/38/71/878413871.db2.gz CYCNYZWHCCUMGC-CQSZACIVSA-N -1 3 378.822 3.561 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2Cl)sc1Cl ZINC000788898853 878435232 /nfs/dbraw/zinc/43/52/32/878435232.db2.gz JFUDANWEHSPTAJ-SNVBAGLBSA-N -1 3 384.281 3.514 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccccc2Cl)sc1Cl ZINC000788903318 878439080 /nfs/dbraw/zinc/43/90/80/878439080.db2.gz BDNAHSNYRBHNLX-AWEZNQCLSA-N -1 3 380.318 3.549 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccc(F)cc2)sc1Cl ZINC000788904885 878442532 /nfs/dbraw/zinc/44/25/32/878442532.db2.gz YUVOPOUMGWLDCL-ZWNOBZJWSA-N -1 3 377.890 3.640 20 0 GHADHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000451818599 878525291 /nfs/dbraw/zinc/52/52/91/878525291.db2.gz QBRPTKAYXRGYRU-RISCZKNCSA-N -1 3 383.407 3.574 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000451878345 878613941 /nfs/dbraw/zinc/61/39/41/878613941.db2.gz GTLGPLRSLIRHSR-CTYIDZIISA-N -1 3 378.241 3.899 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(C)o1 ZINC000530857224 878626332 /nfs/dbraw/zinc/62/63/32/878626332.db2.gz MAQWUZVISUVAAV-HXUWFJFHSA-N -1 3 383.469 3.825 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1Cl ZINC000460812379 878646980 /nfs/dbraw/zinc/64/69/80/878646980.db2.gz CKRXWYDRSIXGTR-UHFFFAOYSA-N -1 3 396.896 3.912 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000538017121 878720808 /nfs/dbraw/zinc/72/08/08/878720808.db2.gz XLVZWIOTCMTGMF-HNNXBMFYSA-N -1 3 393.814 3.732 20 0 GHADHM CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000852987438 878725756 /nfs/dbraw/zinc/72/57/56/878725756.db2.gz LPEWPRZXNUUXRC-UHFFFAOYSA-N -1 3 393.462 3.871 20 0 GHADHM Cc1ccc(NC(=O)c2cncs2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000616540506 878956681 /nfs/dbraw/zinc/95/66/81/878956681.db2.gz YMWVPUITUBMBAI-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM COC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000531094816 879121619 /nfs/dbraw/zinc/12/16/19/879121619.db2.gz ODLAKLFKXFNGRU-UHFFFAOYSA-N -1 3 380.293 3.538 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000616823400 879129234 /nfs/dbraw/zinc/12/92/34/879129234.db2.gz NBTQAYMZFPVIFQ-HNNXBMFYSA-N -1 3 379.382 3.762 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-n3nccc3C)cc2)c(C(=O)OCC)[n-]1 ZINC000616915026 879262743 /nfs/dbraw/zinc/26/27/43/879262743.db2.gz GXFHUXJXCFDWDN-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCCO4)c2n1 ZINC000531248723 879427511 /nfs/dbraw/zinc/42/75/11/879427511.db2.gz TYQKTVRDWRQMLQ-UHFFFAOYSA-N -1 3 390.848 3.769 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1OC ZINC000617214920 879485663 /nfs/dbraw/zinc/48/56/63/879485663.db2.gz AAAMFDSVXXYJNK-AWEZNQCLSA-N -1 3 376.478 3.589 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1OC ZINC000617218309 879488735 /nfs/dbraw/zinc/48/87/35/879488735.db2.gz PEGRXNWHKAIRFA-QGZVFWFLSA-N -1 3 388.489 3.515 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)cc(OC)c1[O-] ZINC000493540023 879527234 /nfs/dbraw/zinc/52/72/34/879527234.db2.gz QJTDENMGVDPFHM-QZTJIDSGSA-N -1 3 385.460 3.838 20 0 GHADHM CCCCOCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493607155 879560555 /nfs/dbraw/zinc/56/05/55/879560555.db2.gz UPTNLBWOJKITPD-UHFFFAOYSA-N -1 3 384.723 3.588 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1scnc1COC ZINC000790233036 879561209 /nfs/dbraw/zinc/56/12/09/879561209.db2.gz ARQVRSPNRCEHPO-UHFFFAOYSA-N -1 3 376.459 3.933 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000069128773 879580684 /nfs/dbraw/zinc/58/06/84/879580684.db2.gz XDHIRULOUPUPJS-BOLDSZDNSA-N -1 3 381.885 3.888 20 0 GHADHM COc1cc(C)ccc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461340787 879644012 /nfs/dbraw/zinc/64/40/12/879644012.db2.gz NXGUECZSOWXEPG-UHFFFAOYSA-N -1 3 384.295 3.751 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)s1 ZINC000538541599 879649636 /nfs/dbraw/zinc/64/96/36/879649636.db2.gz XVXKAAGWHOFIIY-NWDGAFQWSA-N -1 3 396.372 3.691 20 0 GHADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)c1C ZINC000790418058 879698432 /nfs/dbraw/zinc/69/84/32/879698432.db2.gz RDJBYCHTXOTAHB-CYBMUJFWSA-N -1 3 375.494 3.900 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ccc(Br)cc2)c1 ZINC000531373228 879721139 /nfs/dbraw/zinc/72/11/39/879721139.db2.gz GRAZWSGYIJSTBI-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc(OC)c1[O-] ZINC000493973696 879792184 /nfs/dbraw/zinc/79/21/84/879792184.db2.gz YIIOVGQLDNHYLF-CQSZACIVSA-N -1 3 375.396 3.581 20 0 GHADHM CC(C)c1ccc(C[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000461430427 879797848 /nfs/dbraw/zinc/79/78/48/879797848.db2.gz QJBXIKUKGOTFHV-INIZCTEOSA-N -1 3 391.471 3.790 20 0 GHADHM CCCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000461431021 879844376 /nfs/dbraw/zinc/84/43/76/879844376.db2.gz UWGQNQPDRKQSBR-CYBMUJFWSA-N -1 3 381.473 3.605 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(Cl)c3cccnc23)cc1OC ZINC000112336315 879893791 /nfs/dbraw/zinc/89/37/91/879893791.db2.gz BGQPBSWEOXTRSP-UHFFFAOYSA-N -1 3 386.835 3.696 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)nc21 ZINC000494121669 879918840 /nfs/dbraw/zinc/91/88/40/879918840.db2.gz JBUSHPNRPQMLPW-QGZVFWFLSA-N -1 3 381.432 3.844 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000452747829 879968231 /nfs/dbraw/zinc/96/82/31/879968231.db2.gz IYHFZZQLLKXDKX-ZDUSSCGKSA-N -1 3 375.266 3.928 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc([S-])cc1 ZINC001272016694 880013588 /nfs/dbraw/zinc/01/35/88/880013588.db2.gz FNYFQMXQWWCLSZ-QRQLOZEOSA-N -1 3 376.566 3.717 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccc(Br)cc2n1 ZINC000613341773 880074015 /nfs/dbraw/zinc/07/40/15/880074015.db2.gz ZWGDXNXPBQSTCK-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)c3ccccc3)cs2)c1 ZINC000183290337 880085226 /nfs/dbraw/zinc/08/52/26/880085226.db2.gz BNVYQJCSJVCMAD-UHFFFAOYSA-N -1 3 381.457 3.615 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000854900907 880130403 /nfs/dbraw/zinc/13/04/03/880130403.db2.gz AHOPKEXTJUAVSG-KGLIPLIRSA-N -1 3 394.537 3.737 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4cccc(Cl)c4n3C)c[n-]c12 ZINC000183845647 880164500 /nfs/dbraw/zinc/16/45/00/880164500.db2.gz BCHULOGCUVOFHE-UHFFFAOYSA-N -1 3 384.798 3.768 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)ccc1N1CCCCC1 ZINC000854954664 880174136 /nfs/dbraw/zinc/17/41/36/880174136.db2.gz IUHAKQQLGOKZCL-UHFFFAOYSA-N -1 3 396.443 3.624 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286038789 912544553 /nfs/dbraw/zinc/54/45/53/912544553.db2.gz BNDNJHRMROCNAQ-FUHWJXTLSA-N -1 3 393.405 3.616 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286038803 912545329 /nfs/dbraw/zinc/54/53/29/912545329.db2.gz BNDNJHRMROCNAQ-WMZOPIPTSA-N -1 3 393.405 3.616 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000855132740 880294955 /nfs/dbraw/zinc/29/49/55/880294955.db2.gz UQSBNRAZDVDKQS-ZIAGYGMSSA-N -1 3 388.489 3.736 20 0 GHADHM O=C(c1ccsc1)N1CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000791330763 880335897 /nfs/dbraw/zinc/33/58/97/880335897.db2.gz YILUXHMUJIRWQE-UHFFFAOYSA-N -1 3 386.498 3.657 20 0 GHADHM O=C(Nc1cccc(OCCn2cncn2)c1)c1cc2sccc2c([O-])c1 ZINC000791331760 880336211 /nfs/dbraw/zinc/33/62/11/880336211.db2.gz WWPBGESOIVFNGD-UHFFFAOYSA-N -1 3 380.429 3.530 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)n[n-]2)cc1)c1ccsc1 ZINC000791353310 880365301 /nfs/dbraw/zinc/36/53/01/880365301.db2.gz QMZHSFMKCWVPPS-UHFFFAOYSA-N -1 3 392.234 3.705 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)[n-]n2)cc1)c1ccsc1 ZINC000791353310 880365311 /nfs/dbraw/zinc/36/53/11/880365311.db2.gz QMZHSFMKCWVPPS-UHFFFAOYSA-N -1 3 392.234 3.705 20 0 GHADHM CCN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000791358837 880368634 /nfs/dbraw/zinc/36/86/34/880368634.db2.gz IESOBPFOCIIIFZ-KRWDZBQOSA-N -1 3 380.469 3.875 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc2sccc2c([O-])c1 ZINC000791365469 880374563 /nfs/dbraw/zinc/37/45/63/880374563.db2.gz ABIKOIMHUVUQHY-OAHLLOKOSA-N -1 3 386.860 3.796 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H](C)c1ccc(F)c2ccccc21 ZINC001183499288 912594353 /nfs/dbraw/zinc/59/43/53/912594353.db2.gz CBLAJZDELUQDJT-LLVKDONJSA-N -1 3 398.390 3.622 20 0 GHADHM CC(C)Cc1nsc([N-]C(=O)c2cnn(Cc3ccccc3)c2Cl)n1 ZINC000855707041 880689311 /nfs/dbraw/zinc/68/93/11/880689311.db2.gz HQIXQULETXMBHN-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000186416010 880880710 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384.476 3.921 20 0 GHADHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792485933 881141810 /nfs/dbraw/zinc/14/18/10/881141810.db2.gz HSDMFVAWWTYTOG-CYBMUJFWSA-N -1 3 399.410 3.672 20 0 GHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000919949314 881197261 /nfs/dbraw/zinc/19/72/61/881197261.db2.gz QWODDWIMEINOSG-BDAKNGLRSA-N -1 3 384.723 3.824 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](OCc2ccccn2)C1 ZINC000532135662 881214201 /nfs/dbraw/zinc/21/42/01/881214201.db2.gz OTQFMBVNJMEICG-NRFANRHFSA-N -1 3 388.467 3.809 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187522671 881221012 /nfs/dbraw/zinc/22/10/12/881221012.db2.gz MPNHLRNKCZJVTN-AWEZNQCLSA-N -1 3 377.448 3.533 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)ccc2o1 ZINC000919958033 881264423 /nfs/dbraw/zinc/26/44/23/881264423.db2.gz PROFYGMQIVHCJM-UHFFFAOYSA-N -1 3 385.441 3.915 20 0 GHADHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O 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3.991 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)C1 ZINC000078520312 883491143 /nfs/dbraw/zinc/49/11/43/883491143.db2.gz XQWVLFMLVGORSE-KDOFPFPSSA-N -1 3 392.455 3.918 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000064478230 883502034 /nfs/dbraw/zinc/50/20/34/883502034.db2.gz UENQSEXOSLUPAL-GJZGRUSLSA-N -1 3 392.546 3.823 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1F ZINC000476985203 883539664 /nfs/dbraw/zinc/53/96/64/883539664.db2.gz WMOWOAMIIBUBGL-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM CCCCc1nc(NC(=O)c2csc(C(F)(F)F)n2)c(C(=O)OCC)[n-]1 ZINC000551285749 883600887 /nfs/dbraw/zinc/60/08/87/883600887.db2.gz PKHOMAGLXNLYFW-UHFFFAOYSA-N -1 3 390.387 3.657 20 0 GHADHM Cc1ccc([C@@H](CNc2nc3ccccc3c(C)c2C(=O)[O-])N2CCCC2)o1 ZINC000514674834 883665845 /nfs/dbraw/zinc/66/58/45/883665845.db2.gz JHFNSKFYOUFNKG-GOSISDBHSA-N -1 3 379.460 3.814 20 0 GHADHM COC(=O)CCc1nnc([N-]C(=O)c2oc3ccccc3c2CSC)s1 ZINC000609872172 883758624 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O=C([O-])c1ccccc1-c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)o1 ZINC000859779552 884056998 /nfs/dbraw/zinc/05/69/98/884056998.db2.gz JGQUKUAHIFFKDQ-UHFFFAOYSA-N -1 3 396.487 3.869 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4[N-]S(C)(=O)=O)cc3c2C1 ZINC000024884401 884084560 /nfs/dbraw/zinc/08/45/60/884084560.db2.gz CNSGEWUZXHZDHP-ZDUSSCGKSA-N -1 3 397.500 3.917 20 0 GHADHM CN1C(=O)CC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000476173890 884198293 /nfs/dbraw/zinc/19/82/93/884198293.db2.gz UDEZQUQRZVFCQW-RDTXWAMCSA-N -1 3 392.377 3.959 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263172646 884360752 /nfs/dbraw/zinc/36/07/52/884360752.db2.gz SGZCJUHAOKHOJQ-CYBMUJFWSA-N -1 3 387.307 3.529 20 0 GHADHM COc1ccc(CN(C)C(=O)c2cc(SC)ccc2[O-])cc1OC(F)F ZINC000666242660 884374369 /nfs/dbraw/zinc/37/43/69/884374369.db2.gz RYXYSCOUDNJEAW-UHFFFAOYSA-N -1 3 383.416 3.996 20 0 GHADHM Cc1nscc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556329755 884489969 /nfs/dbraw/zinc/48/99/69/884489969.db2.gz CODNWRYVQJTMEL-UHFFFAOYSA-N -1 3 389.238 3.716 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1F ZINC000914706410 884571534 /nfs/dbraw/zinc/57/15/34/884571534.db2.gz DZQONEFITDSMJJ-UHFFFAOYSA-N -1 3 386.448 3.918 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3c(C)nn(C)c3C)c2)n1 ZINC000498500838 884641921 /nfs/dbraw/zinc/64/19/21/884641921.db2.gz LJNSRXXWBHAMIQ-GFCCVEGCSA-N -1 3 379.464 3.504 20 0 GHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000263372531 884745226 /nfs/dbraw/zinc/74/52/26/884745226.db2.gz VUPVHDUOJZZATR-RYUDHWBXSA-N -1 3 379.254 3.647 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cccc(Br)c1Cl ZINC000556395438 884767549 /nfs/dbraw/zinc/76/75/49/884767549.db2.gz NKNGRHCPRJYQOE-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046864 884803390 /nfs/dbraw/zinc/80/33/90/884803390.db2.gz QDPMGUMLUWQAFT-MRVPVSSYSA-N -1 3 391.201 3.976 20 0 GHADHM CC(C)c1ccc(OCCNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000919047636 884804946 /nfs/dbraw/zinc/80/49/46/884804946.db2.gz ZDGHUCSUZPHWSU-UHFFFAOYSA-N -1 3 399.274 3.797 20 0 GHADHM COC[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1Cl ZINC000861059406 885208510 /nfs/dbraw/zinc/20/85/10/885208510.db2.gz LIZUDRZZVDKPJB-HNNXBMFYSA-N -1 3 385.247 3.579 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1C(F)(F)F ZINC000795856365 912915094 /nfs/dbraw/zinc/91/50/94/912915094.db2.gz PEVUGCCZGLERHE-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CCC[C@@H](NC(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1ccccc1 ZINC000919325593 885334255 /nfs/dbraw/zinc/33/42/55/885334255.db2.gz MHNLKPIQSDYORK-MRXNPFEDSA-N -1 3 381.432 3.793 20 0 GHADHM CCC[C@@H](NC(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000919325593 885334276 /nfs/dbraw/zinc/33/42/76/885334276.db2.gz MHNLKPIQSDYORK-MRXNPFEDSA-N -1 3 381.432 3.793 20 0 GHADHM CCOC(=O)CC(C)(C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000807322586 885352955 /nfs/dbraw/zinc/35/29/55/885352955.db2.gz GIZKTGBPUFPOSD-UHFFFAOYSA-N -1 3 390.249 3.506 20 0 GHADHM O=C(OC[C@@H]1CCSC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000762139261 885474863 /nfs/dbraw/zinc/47/48/63/885474863.db2.gz QMDSSWZMZOTAOC-ZDUSSCGKSA-N -1 3 395.477 3.536 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC000747407814 885560234 /nfs/dbraw/zinc/56/02/34/885560234.db2.gz VDWCASTXGJHQNS-CHWSQXEVSA-N -1 3 398.887 3.894 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000747408711 885570806 /nfs/dbraw/zinc/57/08/06/885570806.db2.gz UENQSEXOSLUPAL-GASCZTMLSA-N -1 3 392.546 3.823 20 0 GHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000104756485 885603194 /nfs/dbraw/zinc/60/31/94/885603194.db2.gz GPALDNGFJCODOL-UHFFFAOYSA-N -1 3 389.340 3.682 20 0 GHADHM CN1CCN(c2ccc(-c3nc4ccc(-c5ccccc5)cc4c(=O)[n-]3)cn2)CC1 ZINC000498760120 885625606 /nfs/dbraw/zinc/62/56/06/885625606.db2.gz ADGDGXIRUWIYLL-UHFFFAOYSA-N -1 3 397.482 3.816 20 0 GHADHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000795887817 912956392 /nfs/dbraw/zinc/95/63/92/912956392.db2.gz FIRCCUDLDHLAMN-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM O=C(Nc1cncc([O-])c1)C1(Cc2cccc(Br)c2)CCOCC1 ZINC001184005426 912966404 /nfs/dbraw/zinc/96/64/04/912966404.db2.gz KGGPFIRMIGRXPY-UHFFFAOYSA-N -1 3 391.265 3.528 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C(C)(C)C)nn3C)nc(=O)c2c1C ZINC000919498571 885810212 /nfs/dbraw/zinc/81/02/12/885810212.db2.gz AATAOLLSMVSWKM-SNVBAGLBSA-N -1 3 388.493 3.963 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000495451330 885824271 /nfs/dbraw/zinc/82/42/71/885824271.db2.gz FCGGMDPNLHWTMS-AWEZNQCLSA-N -1 3 391.851 3.746 20 0 GHADHM Cc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cnn1[C@H]1CCOC1 ZINC000556679010 885875032 /nfs/dbraw/zinc/87/50/32/885875032.db2.gz KGBCSQOGJCVAIY-KRWDZBQOSA-N -1 3 393.443 3.690 20 0 GHADHM Cc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cnn1[C@@H]1CCOC1 ZINC000556679011 885875572 /nfs/dbraw/zinc/87/55/72/885875572.db2.gz KGBCSQOGJCVAIY-QGZVFWFLSA-N -1 3 393.443 3.690 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000762313707 886001106 /nfs/dbraw/zinc/00/11/06/886001106.db2.gz UUJONOGDWCZSFO-QGZVFWFLSA-N -1 3 390.411 3.744 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(=O)[n-]1 ZINC000108285231 886068681 /nfs/dbraw/zinc/06/86/81/886068681.db2.gz RBRPEESFSTVIFZ-FQEVSTJZSA-N -1 3 378.476 3.554 20 0 GHADHM COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(C)=O)c3[O-])c(=O)oc2c1 ZINC000808187492 886082176 /nfs/dbraw/zinc/08/21/76/886082176.db2.gz FWRLSAWMJVLLLC-UHFFFAOYSA-N -1 3 395.411 3.590 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000808189641 886085487 /nfs/dbraw/zinc/08/54/87/886085487.db2.gz WJZDTEZAYSTPHD-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM O=C(C=Cc1ccc(-c2ccccc2Cl)s1)NCCCc1cc(=O)[nH][n-]1 ZINC000808257536 886172159 /nfs/dbraw/zinc/17/21/59/886172159.db2.gz FCRSGAHPVARTOF-CSKARUKUSA-N -1 3 387.892 3.854 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000808340772 886245487 /nfs/dbraw/zinc/24/54/87/886245487.db2.gz SBRHUTLGHVDJGL-ZUZCIYMTSA-N -1 3 393.814 3.759 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000919747358 886276641 /nfs/dbraw/zinc/27/66/41/886276641.db2.gz LXYACKBWTQLBER-ZDUSSCGKSA-N -1 3 375.469 3.566 20 0 GHADHM O=S(=O)([N-]c1cc2ccccc2nc1Br)c1cccc(F)c1 ZINC000762501942 886297793 /nfs/dbraw/zinc/29/77/93/886297793.db2.gz CQFMGRIBHJSHDK-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM O=c1[n-]c(SC[C@H]2CCC[C@@H](O)C2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000644101501 913038404 /nfs/dbraw/zinc/03/84/04/913038404.db2.gz MJDZOLFSEPSDHF-SMDDNHRTSA-N -1 3 390.896 3.818 20 0 GHADHM COC(=O)c1cccc(NC2CCN(Cc3c(F)ccc([O-])c3F)CC2)c1 ZINC000556867963 886419864 /nfs/dbraw/zinc/41/98/64/886419864.db2.gz DBWGKTLOVDRHTL-UHFFFAOYSA-N -1 3 376.403 3.534 20 0 GHADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(OCC(F)F)ccn2)n1 ZINC000131784709 886549266 /nfs/dbraw/zinc/54/92/66/886549266.db2.gz DFBLNRQJGCJREF-UHFFFAOYSA-N -1 3 382.417 3.866 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)cc(F)c1 ZINC000131975693 886625256 /nfs/dbraw/zinc/62/52/56/886625256.db2.gz RVMGLVXMEJSGSJ-GOSISDBHSA-N -1 3 378.375 3.567 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000499076139 886635261 /nfs/dbraw/zinc/63/52/61/886635261.db2.gz KHHOANTZOKLOCL-SFHVURJKSA-N -1 3 377.387 3.770 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)c(F)cc1F ZINC000132011698 886639600 /nfs/dbraw/zinc/63/96/00/886639600.db2.gz FWXYCIVJQVAYEH-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM CCCOc1cccc(CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132009593 886639817 /nfs/dbraw/zinc/63/98/17/886639817.db2.gz AZTHMPIEVBYVMG-UHFFFAOYSA-N -1 3 378.266 3.802 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)c3nnc(-c4ccc(F)cc4)o3)n[n-]c21 ZINC000808675513 886670310 /nfs/dbraw/zinc/67/03/10/886670310.db2.gz JJHKIFCHINEVSH-SNVBAGLBSA-N -1 3 382.351 3.679 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)c3nnc(-c4ccc(F)cc4)o3)[n-]nc21 ZINC000808675513 886670323 /nfs/dbraw/zinc/67/03/23/886670323.db2.gz JJHKIFCHINEVSH-SNVBAGLBSA-N -1 3 382.351 3.679 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)n[n-]c21 ZINC000808676483 886672717 /nfs/dbraw/zinc/67/27/17/886672717.db2.gz NKQPPDSATIPPER-UHFFFAOYSA-N -1 3 375.384 3.520 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)[n-]nc21 ZINC000808676483 886672722 /nfs/dbraw/zinc/67/27/22/886672722.db2.gz NKQPPDSATIPPER-UHFFFAOYSA-N -1 3 375.384 3.520 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1n[n-]c2c1cccc2OC ZINC000808677061 886677513 /nfs/dbraw/zinc/67/75/13/886677513.db2.gz XEZYCZQQXAKDCV-CYBMUJFWSA-N -1 3 395.459 3.880 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1[n-]nc2c1cccc2OC ZINC000808677061 886677520 /nfs/dbraw/zinc/67/75/20/886677520.db2.gz XEZYCZQQXAKDCV-CYBMUJFWSA-N -1 3 395.459 3.880 20 0 GHADHM CSc1cc([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)ncn1 ZINC001131435739 886756733 /nfs/dbraw/zinc/75/67/33/886756733.db2.gz DBBURXBCNINZOO-UHFFFAOYSA-N -1 3 391.250 3.868 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000119578417 886763979 /nfs/dbraw/zinc/76/39/79/886763979.db2.gz MMVQJFFYNSBBGR-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000119578417 886763994 /nfs/dbraw/zinc/76/39/94/886763994.db2.gz MMVQJFFYNSBBGR-GFCCVEGCSA-N -1 3 389.381 3.696 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC000640291666 886812388 /nfs/dbraw/zinc/81/23/88/886812388.db2.gz DKQGAQSMALRKRO-JTQLQIEISA-N -1 3 390.768 3.681 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000119343163 886929594 /nfs/dbraw/zinc/92/95/94/886929594.db2.gz NUPXKQUIQXHILU-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045020748 887021457 /nfs/dbraw/zinc/02/14/57/887021457.db2.gz LFFDCZMFXQCFEI-HXUWFJFHSA-N -1 3 393.487 3.544 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)cc1 ZINC000863400507 887085418 /nfs/dbraw/zinc/08/54/18/887085418.db2.gz OZRGXVPGBZFKSB-KRWDZBQOSA-N -1 3 396.440 3.524 20 0 GHADHM CCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000863529487 887194661 /nfs/dbraw/zinc/19/46/61/887194661.db2.gz LJABQKFNAAAXTB-GOSISDBHSA-N -1 3 382.460 3.733 20 0 GHADHM O=C(NC1CCN(Cc2cccc([O-])c2Br)CC1)c1ccccc1 ZINC000459302395 887197350 /nfs/dbraw/zinc/19/73/50/887197350.db2.gz KHIMIHFAPXSBEW-UHFFFAOYSA-N -1 3 389.293 3.549 20 0 GHADHM [O-]c1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1Br ZINC000459308859 887246512 /nfs/dbraw/zinc/24/65/12/887246512.db2.gz URGPFYPFOJSEMG-UHFFFAOYSA-N -1 3 382.689 3.525 20 0 GHADHM COc1cccc([C@H](O)C2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)c1 ZINC000863736631 887337320 /nfs/dbraw/zinc/33/73/20/887337320.db2.gz SVJLZFBYJULQTK-HXUWFJFHSA-N -1 3 387.501 3.709 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N(CCN(C)C)Cc2ccsc2)s1 ZINC000459322883 887387295 /nfs/dbraw/zinc/38/72/95/887387295.db2.gz IMDDSCZIKSBGOV-UHFFFAOYSA-N -1 3 381.571 3.521 20 0 GHADHM O=C(NC1CCN(Cc2cccc([O-])c2Br)CC1)c1ccsc1 ZINC000459332112 887446215 /nfs/dbraw/zinc/44/62/15/887446215.db2.gz XCUYLHFOVGWVDW-UHFFFAOYSA-N -1 3 395.322 3.611 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c([O-])c1 ZINC000536627521 887750453 /nfs/dbraw/zinc/75/04/53/887750453.db2.gz WWHCXRLPZSCKHG-UHFFFAOYSA-N -1 3 394.431 3.525 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000614837869 887860611 /nfs/dbraw/zinc/86/06/11/887860611.db2.gz QDUFTUUPLFPTGB-LJQANCHMSA-N -1 3 391.489 3.834 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]C(c2cccs2)c2cccs2)CCCC1 ZINC000809819003 887873117 /nfs/dbraw/zinc/87/31/17/887873117.db2.gz UCKYTWGUFJWFJL-UHFFFAOYSA-N -1 3 399.559 3.552 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000242966055 887994374 /nfs/dbraw/zinc/99/43/74/887994374.db2.gz HLSKZAGBBMMBPF-UHFFFAOYSA-N -1 3 392.315 3.906 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000054884863 888059330 /nfs/dbraw/zinc/05/93/30/888059330.db2.gz BPPXZQNFHWTRHC-UHFFFAOYSA-N -1 3 376.873 3.531 20 0 GHADHM CCCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000055221501 888117118 /nfs/dbraw/zinc/11/71/18/888117118.db2.gz HRDFPVVCKBXMRO-UHFFFAOYSA-N -1 3 385.744 3.800 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 ZINC000055250290 888122591 /nfs/dbraw/zinc/12/25/91/888122591.db2.gz CBUQPMOSTFTSAP-UHFFFAOYSA-N -1 3 395.390 3.607 20 0 GHADHM C[C@@H](c1cccc(Br)c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068263 888155143 /nfs/dbraw/zinc/15/51/43/888155143.db2.gz LXFUKVGLDUUWQD-NWDGAFQWSA-N -1 3 393.247 3.901 20 0 GHADHM Cc1cc(=O)[n-]c(CSCCC(=O)Nc2cccc(Br)c2)n1 ZINC000763208645 888291532 /nfs/dbraw/zinc/29/15/32/888291532.db2.gz MCNIGSHYQRHJSN-UHFFFAOYSA-N -1 3 382.283 3.515 20 0 GHADHM O=c1[n-]c(CSc2ccc(Br)c(Cl)c2)nc2c1COCC2 ZINC000865369062 888316083 /nfs/dbraw/zinc/31/60/83/888316083.db2.gz IEDVFDVOUZDWQK-UHFFFAOYSA-N -1 3 387.686 3.963 20 0 GHADHM CSCC1CCC([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC001211965384 888317962 /nfs/dbraw/zinc/31/79/62/888317962.db2.gz BOQWMEKPIDSSKX-UHFFFAOYSA-N -1 3 396.347 3.788 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000794843593 888361167 /nfs/dbraw/zinc/36/11/67/888361167.db2.gz SIZLRJPTXMPORZ-NSHDSACASA-N -1 3 384.402 3.539 20 0 GHADHM CC(C)(C)c1nsc([N-]C(=O)c2cnn(Cc3ccccc3)c2Cl)n1 ZINC000796075289 913244061 /nfs/dbraw/zinc/24/40/61/913244061.db2.gz YZOQCSYMLJEVHR-UHFFFAOYSA-N -1 3 375.885 3.986 20 0 GHADHM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000810414353 888480155 /nfs/dbraw/zinc/48/01/55/888480155.db2.gz QMVLVXWMLHURSG-ABAIWWIYSA-N -1 3 398.887 3.536 20 0 GHADHM CC1(c2ccc(CNCc3cccc([O-])c3Br)cc2)OCCO1 ZINC000865668240 888506892 /nfs/dbraw/zinc/50/68/92/888506892.db2.gz HZJIQMUXVIQMHQ-UHFFFAOYSA-N -1 3 378.266 3.664 20 0 GHADHM COc1cccc([C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2(C)C)c1 ZINC000915961407 888601030 /nfs/dbraw/zinc/60/10/30/888601030.db2.gz QDPIBEVIQYFFOD-SFHVURJKSA-N -1 3 376.456 3.945 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1CNC(=O)OC(C)(C)C ZINC000810555137 888615834 /nfs/dbraw/zinc/61/58/34/888615834.db2.gz VYZDRWJCTKLUHD-LRDDRELGSA-N -1 3 382.888 3.811 20 0 GHADHM COc1ccc(-c2ccccc2C)cc1CNCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865865911 888620486 /nfs/dbraw/zinc/62/04/86/888620486.db2.gz ASOZEDFOWGPXCT-UHFFFAOYSA-N -1 3 391.471 3.529 20 0 GHADHM Cc1cccc(CN(Cc2cccc(C)n2)Cc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000459383477 888716859 /nfs/dbraw/zinc/71/68/59/888716859.db2.gz FSTORXSWUSYNLR-UHFFFAOYSA-N -1 3 375.476 3.669 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2CCCCCC2)cc1OC ZINC000454309500 888813805 /nfs/dbraw/zinc/81/38/05/888813805.db2.gz FKVUXVMNWMBDFM-UHFFFAOYSA-N -1 3 383.514 3.549 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000866597197 888958953 /nfs/dbraw/zinc/95/89/53/888958953.db2.gz YLKLTMZKEFOMRS-XOBRGWDASA-N -1 3 376.884 3.803 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000866597194 888959279 /nfs/dbraw/zinc/95/92/79/888959279.db2.gz YLKLTMZKEFOMRS-JLTOFOAXSA-N -1 3 376.884 3.803 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1cccc(Cl)c1C)OCC ZINC001184654979 913344927 /nfs/dbraw/zinc/34/49/27/913344927.db2.gz IAJPKEHPQVVLMB-UHFFFAOYSA-N -1 3 394.859 3.730 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)NCCCOC1CCCCC1 ZINC000811393249 889531816 /nfs/dbraw/zinc/53/18/16/889531816.db2.gz ATXKLZJVUNUNCB-UHFFFAOYSA-N -1 3 398.912 3.895 20 0 GHADHM CC(=O)NCc1ccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000811396892 889537481 /nfs/dbraw/zinc/53/74/81/889537481.db2.gz UEYFVWGXWAZCCL-UHFFFAOYSA-N -1 3 396.877 3.620 20 0 GHADHM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000811396419 889537585 /nfs/dbraw/zinc/53/75/85/889537585.db2.gz OURIKXXFHRCLQC-MRVPVSSYSA-N -1 3 394.836 3.540 20 0 GHADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc([O-])ccc2Cl)cn1 ZINC000811435133 889562019 /nfs/dbraw/zinc/56/20/19/889562019.db2.gz ADBZSRNACFOGKR-FQEVSTJZSA-N -1 3 399.878 3.638 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000811415374 889572099 /nfs/dbraw/zinc/57/20/99/889572099.db2.gz SJSFMRUCQYGKNK-CYBMUJFWSA-N -1 3 399.834 3.665 20 0 GHADHM CC[C@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC000868778366 889591995 /nfs/dbraw/zinc/59/19/95/889591995.db2.gz WENQPXXFTGNCQM-HIFRSBDPSA-N -1 3 383.414 3.557 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3C)cc2s1 ZINC000644617758 913403500 /nfs/dbraw/zinc/40/35/00/913403500.db2.gz FXIVVCLDWDZUPE-UHFFFAOYSA-N -1 3 384.486 3.900 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Br)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811831530 890016596 /nfs/dbraw/zinc/01/65/96/890016596.db2.gz AFGHUJAMAVONIA-WAYWQWQTSA-N -1 3 396.188 3.604 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000811838915 890025199 /nfs/dbraw/zinc/02/51/99/890025199.db2.gz ZHYXZMSQSYOSTA-UHFFFAOYSA-N -1 3 387.429 3.664 20 0 GHADHM CC1(C)CC(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC(C)(C)C1 ZINC000811901812 890102458 /nfs/dbraw/zinc/10/24/58/890102458.db2.gz GXIAKDHMDIIWPV-ZDUSSCGKSA-N -1 3 391.478 3.691 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1 ZINC000916729941 890140718 /nfs/dbraw/zinc/14/07/18/890140718.db2.gz KPKOYKCEYARSMS-IYBDPMFKSA-N -1 3 392.496 3.857 20 0 GHADHM CC(C)CCCCCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811991153 890157340 /nfs/dbraw/zinc/15/73/40/890157340.db2.gz VWHCPPZZLKJFKY-HNNXBMFYSA-N -1 3 379.467 3.693 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1COc2ccccc21 ZINC000126628331 890621011 /nfs/dbraw/zinc/62/10/11/890621011.db2.gz AXCNFQJJVLHAMT-SMDDNHRTSA-N -1 3 391.265 3.519 20 0 GHADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1cc2ccccc2o1 ZINC000065820864 890668807 /nfs/dbraw/zinc/66/88/07/890668807.db2.gz SZLLIHWPYKOISJ-LBPRGKRZSA-N -1 3 377.400 3.931 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC=C(c2ccccc2)C1 ZINC000444359137 890745161 /nfs/dbraw/zinc/74/51/61/890745161.db2.gz VPQQRGCFAZOQBQ-UHFFFAOYSA-N -1 3 395.256 3.830 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Cl ZINC001184887988 913484176 /nfs/dbraw/zinc/48/41/76/913484176.db2.gz FARLSWXKKIISQT-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM C[C@@H](CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)n1cccc1 ZINC000533615805 890979753 /nfs/dbraw/zinc/97/97/53/890979753.db2.gz NYVWRQYVPKSNNZ-AWEZNQCLSA-N -1 3 389.883 3.676 20 0 GHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cccc(F)c1I ZINC000871877502 891069112 /nfs/dbraw/zinc/06/91/12/891069112.db2.gz LNIWDIBNVKZAHR-GHMZBOCLSA-N -1 3 393.240 3.799 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)N[C@H]2CCCCC23CCCC3)C1)C(F)(F)F ZINC000812930739 891136495 /nfs/dbraw/zinc/13/64/95/891136495.db2.gz UXCTXUXGTKTSNK-CABCVRRESA-N -1 3 389.462 3.590 20 0 GHADHM COc1cc(OC)c(C2CCN(Cc3cc(C(=O)[O-])cs3)CC2)c(OC)c1 ZINC000872160944 891185470 /nfs/dbraw/zinc/18/54/70/891185470.db2.gz NEYKFZXXYOYBKP-UHFFFAOYSA-N -1 3 391.489 3.852 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000747834786 891260735 /nfs/dbraw/zinc/26/07/35/891260735.db2.gz ZXACGZMTNPMJGF-UHFFFAOYSA-N -1 3 395.286 3.551 20 0 GHADHM COc1cc(NC([O-])=NO[C@H]2CCCCO2)c(Cl)cc1Br ZINC000825634503 891366264 /nfs/dbraw/zinc/36/62/64/891366264.db2.gz NRLKADCBTYEPDX-LBPRGKRZSA-N -1 3 379.638 3.691 20 0 GHADHM COc1cc(NC(=O)[N-]O[C@H]2CCCCO2)c(Cl)cc1Br ZINC000825634503 891366273 /nfs/dbraw/zinc/36/62/73/891366273.db2.gz NRLKADCBTYEPDX-LBPRGKRZSA-N -1 3 379.638 3.691 20 0 GHADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCCCC1 ZINC000128045062 891385968 /nfs/dbraw/zinc/38/59/68/891385968.db2.gz SXVFZFCTJBVOIG-CYBMUJFWSA-N -1 3 393.484 3.653 20 0 GHADHM CCN(CC)[C@H](CN=c1[n-]nc(C(F)F)o1)c1ccc(C(F)(F)F)cc1 ZINC000644935277 913553666 /nfs/dbraw/zinc/55/36/66/913553666.db2.gz MIZZSKQDMHEIEA-GFCCVEGCSA-N -1 3 378.345 3.943 20 0 GHADHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000497405448 891518697 /nfs/dbraw/zinc/51/86/97/891518697.db2.gz ACUGLCQGEGMCGX-CQSZACIVSA-N -1 3 388.514 3.728 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(NC(=O)NC4CC4)cc3)c[n-]c12 ZINC000161767234 891812539 /nfs/dbraw/zinc/81/25/39/891812539.db2.gz LLKAAZAUQFSEFY-UHFFFAOYSA-N -1 3 394.406 3.512 20 0 GHADHM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001272101565 891890505 /nfs/dbraw/zinc/89/05/05/891890505.db2.gz CSKSZKKDFQZISQ-KBPBESRZSA-N -1 3 376.806 3.677 20 0 GHADHM C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c([N-]C(=O)c2cc(Cl)no2)c1 ZINC000874085632 891985382 /nfs/dbraw/zinc/98/53/82/891985382.db2.gz AOSJIKXWXLOSNI-LLVKDONJSA-N -1 3 394.834 3.532 20 0 GHADHM O=C(c1cccc(Cl)c1[O-])N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001272106604 892135952 /nfs/dbraw/zinc/13/59/52/892135952.db2.gz XGODEKWIUNSACU-UHFFFAOYSA-N -1 3 376.806 3.536 20 0 GHADHM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000263088099 892428914 /nfs/dbraw/zinc/42/89/14/892428914.db2.gz HODXJOIOYJSHLS-WIYYLYMNSA-N -1 3 386.536 3.576 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263174183 892463294 /nfs/dbraw/zinc/46/32/94/892463294.db2.gz SLHAEUJZSKVVGH-RCCFBDPRSA-N -1 3 382.504 3.982 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cnc(Cl)c(Cl)c1 ZINC000814283184 892487368 /nfs/dbraw/zinc/48/73/68/892487368.db2.gz BXZFJZRRGXPLFR-UMSPYCQHSA-N -1 3 375.252 3.752 20 0 GHADHM CCc1ocnc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825777162 892520913 /nfs/dbraw/zinc/52/09/13/892520913.db2.gz PKXKTSWXJZBOEO-ZDUSSCGKSA-N -1 3 388.431 3.575 20 0 GHADHM CCc1ocnc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825777162 892520938 /nfs/dbraw/zinc/52/09/38/892520938.db2.gz PKXKTSWXJZBOEO-ZDUSSCGKSA-N -1 3 388.431 3.575 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc(CC)c[nH]3)nc(=O)c2c1C ZINC000128854535 892541245 /nfs/dbraw/zinc/54/12/45/892541245.db2.gz QREKPUXSNIDKSO-SECBINFHSA-N -1 3 392.506 3.609 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C(F)(F)F)ccc3F)nc21 ZINC000162467509 892543265 /nfs/dbraw/zinc/54/32/65/892543265.db2.gz WBNZKGZCAGLSIS-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM CCC[C@@H](NCc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263442885 892560880 /nfs/dbraw/zinc/56/08/80/892560880.db2.gz XBICKGLHSJDRHQ-OAQYLSRUSA-N -1 3 395.503 3.882 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C[C@@H]1C ZINC000421679626 892578315 /nfs/dbraw/zinc/57/83/15/892578315.db2.gz MKBRRZGABMAEDH-UTLUCORTSA-N -1 3 382.224 3.641 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1nc2ccccc2s1 ZINC000814382377 892619172 /nfs/dbraw/zinc/61/91/72/892619172.db2.gz MOBDTQGGHQUWKZ-MRVPVSSYSA-N -1 3 394.865 3.525 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCCC1 ZINC000917895525 892755050 /nfs/dbraw/zinc/75/50/50/892755050.db2.gz IDOIXRAZWYLGEC-MRXNPFEDSA-N -1 3 381.929 3.982 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000825820653 892834966 /nfs/dbraw/zinc/83/49/66/892834966.db2.gz OAWUPOAGMHDHMK-UHFFFAOYSA-N -1 3 393.394 3.641 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000825820653 892834984 /nfs/dbraw/zinc/83/49/84/892834984.db2.gz OAWUPOAGMHDHMK-UHFFFAOYSA-N -1 3 393.394 3.641 20 0 GHADHM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000444659537 892852838 /nfs/dbraw/zinc/85/28/38/892852838.db2.gz DNMXCUIFKGPVJB-HXUWFJFHSA-N -1 3 389.499 3.931 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)oc3C(F)(F)F)nc21 ZINC001134753278 893288221 /nfs/dbraw/zinc/28/82/21/893288221.db2.gz IYLIVEVECGTVPR-UHFFFAOYSA-N -1 3 381.310 3.912 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)nc21 ZINC001134753756 893288298 /nfs/dbraw/zinc/28/82/98/893288298.db2.gz VVUZMAIBIKPSNC-MRXNPFEDSA-N -1 3 399.834 3.993 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@]3(C)CCC[C@H]3C)[n-]c2c(Br)c1 ZINC001134788491 893305343 /nfs/dbraw/zinc/30/53/43/893305343.db2.gz DEBLJALGBCIFCW-VVVCHXIZSA-N -1 3 394.269 3.877 20 0 GHADHM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1cccc([O-])c1F ZINC000129426621 893391105 /nfs/dbraw/zinc/39/11/05/893391105.db2.gz FEHHDFYIUNTRRJ-UHFFFAOYSA-N -1 3 392.386 3.699 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N)cc1[O-] ZINC000877068066 893466994 /nfs/dbraw/zinc/46/69/94/893466994.db2.gz PWAVQTUQDMJCSK-DGCLKSJQSA-N -1 3 375.266 3.755 20 0 GHADHM CCN(C[C@@H]1CCN(c2c(C(=O)[O-])cnc3ccccc32)C1)CC(F)(F)F ZINC000563205550 893477780 /nfs/dbraw/zinc/47/77/80/893477780.db2.gz CSEIFEUUXGXTIE-ZDUSSCGKSA-N -1 3 381.398 3.644 20 0 GHADHM Cc1cnccc1OC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459420896 893500970 /nfs/dbraw/zinc/50/09/70/893500970.db2.gz GUUHTLCZTGILAD-UHFFFAOYSA-N -1 3 376.460 3.596 20 0 GHADHM Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000459433924 893525067 /nfs/dbraw/zinc/52/50/67/893525067.db2.gz BZQCWMWDYJYDDW-UHFFFAOYSA-N -1 3 383.883 3.649 20 0 GHADHM Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c([O-])c1 ZINC000536685712 893532741 /nfs/dbraw/zinc/53/27/41/893532741.db2.gz HMPXSFSTSBBMOH-UHFFFAOYSA-N -1 3 390.277 3.899 20 0 GHADHM CN(Cc1ncc(Cl)n1C)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825957923 893564470 /nfs/dbraw/zinc/56/44/70/893564470.db2.gz JUSLKYWWWNBTBZ-UHFFFAOYSA-N -1 3 393.882 3.553 20 0 GHADHM CN(Cc1ncc(Cl)n1C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825957923 893564482 /nfs/dbraw/zinc/56/44/82/893564482.db2.gz JUSLKYWWWNBTBZ-UHFFFAOYSA-N -1 3 393.882 3.553 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1cccnc1C(F)(F)F ZINC000563315427 893616974 /nfs/dbraw/zinc/61/69/74/893616974.db2.gz GOEHKBXWDDQXDQ-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(I)c(F)c1 ZINC000129553638 893618682 /nfs/dbraw/zinc/61/86/82/893618682.db2.gz ULCCWFMZBBSTOK-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM [O-]c1cccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)c1Br ZINC000459532550 893747763 /nfs/dbraw/zinc/74/77/63/893747763.db2.gz UHNGMLSDQXDCSJ-UHFFFAOYSA-N -1 3 399.292 3.895 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)NCc2cccc([O-])c2Br)cc1 ZINC000459534213 893753915 /nfs/dbraw/zinc/75/39/15/893753915.db2.gz YRVNYVRVGJDVCE-GFCCVEGCSA-N -1 3 398.322 3.799 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000459584191 893817365 /nfs/dbraw/zinc/81/73/65/893817365.db2.gz OJCQIPPNZQIZGA-NRFANRHFSA-N -1 3 383.448 3.635 20 0 GHADHM CCOc1cc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000459573468 893843406 /nfs/dbraw/zinc/84/34/06/893843406.db2.gz QNXRMZRCTZQZQP-LBPRGKRZSA-N -1 3 380.838 3.760 20 0 GHADHM CCOCCC1(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCCC1 ZINC000934729451 893854840 /nfs/dbraw/zinc/85/48/40/893854840.db2.gz ZGSQBSFRRQOIEO-UHFFFAOYSA-N -1 3 378.419 3.523 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(OC(F)F)c(F)c1 ZINC000815484936 893909041 /nfs/dbraw/zinc/90/90/41/893909041.db2.gz IBBLMHXKKJWGSA-UHFFFAOYSA-N -1 3 380.278 3.540 20 0 GHADHM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccccn2)c1 ZINC000129834684 894005287 /nfs/dbraw/zinc/00/52/87/894005287.db2.gz WSRLZGJNVDVKAA-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccsc2)c(Br)cc1Cl ZINC001185390107 913833662 /nfs/dbraw/zinc/83/36/62/913833662.db2.gz CLRSBZRJEHCVQX-UHFFFAOYSA-N -1 3 382.688 3.973 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1F ZINC000536903505 894075937 /nfs/dbraw/zinc/07/59/37/894075937.db2.gz FRXQZUVDOCQSIE-HOCLYGCPSA-N -1 3 391.798 3.566 20 0 GHADHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)ccc21 ZINC000536906557 894082798 /nfs/dbraw/zinc/08/27/98/894082798.db2.gz VWGXCECNLNZHHU-UHFFFAOYSA-N -1 3 390.480 3.933 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(CCC(F)(F)F)s3)nc21 ZINC000934998997 894102070 /nfs/dbraw/zinc/10/20/70/894102070.db2.gz ADIXIZGWDNLWTC-UHFFFAOYSA-N -1 3 398.366 3.553 20 0 GHADHM CC[C@@](C)(COc1ncccc1Cl)NCc1nnc(-c2ccccc2[O-])o1 ZINC000878287868 894163470 /nfs/dbraw/zinc/16/34/70/894163470.db2.gz ZADGMUFJQDXINL-IBGZPJMESA-N -1 3 388.855 3.828 20 0 GHADHM CCc1cc([N-]C(=O)c2c(Cl)ccc(S(=O)(=O)CC)c2Cl)no1 ZINC001135191821 894173840 /nfs/dbraw/zinc/17/38/40/894173840.db2.gz IYXRENVZLYHZPG-UHFFFAOYSA-N -1 3 377.249 3.590 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ncoc2C2CC2)c(C(=O)OCC)c1C ZINC000459853757 894275618 /nfs/dbraw/zinc/27/56/18/894275618.db2.gz PACLXYGXUWCQKK-UHFFFAOYSA-N -1 3 392.433 3.528 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c(=O)[n-]1 ZINC000563890834 894300622 /nfs/dbraw/zinc/30/06/22/894300622.db2.gz UHODJHGPORUSAX-UHFFFAOYSA-N -1 3 389.761 3.922 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)[nH][n-]1 ZINC000537120172 894341759 /nfs/dbraw/zinc/34/17/59/894341759.db2.gz BHINEEBAPBJHNW-QGZVFWFLSA-N -1 3 394.500 3.502 20 0 GHADHM CN1CC[C@@H](NCc2nnc(-c3ccccc3[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000878629756 894466993 /nfs/dbraw/zinc/46/69/93/894466993.db2.gz JTNLWEZYXXHUDW-VQIMIIECSA-N -1 3 384.867 3.631 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185454020 913878460 /nfs/dbraw/zinc/87/84/60/913878460.db2.gz RJKCWWZCZJEFMN-UHFFFAOYSA-N -1 3 391.381 3.916 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185454020 913878473 /nfs/dbraw/zinc/87/84/73/913878473.db2.gz RJKCWWZCZJEFMN-UHFFFAOYSA-N -1 3 391.381 3.916 20 0 GHADHM COc1cc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc(OC)c1[O-] ZINC000127309669 894543577 /nfs/dbraw/zinc/54/35/77/894543577.db2.gz KNYBHNBIXYOMCV-UHFFFAOYSA-N -1 3 379.412 3.868 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H](C(F)F)CC1 ZINC001170816563 894630915 /nfs/dbraw/zinc/63/09/15/894630915.db2.gz XBXMHTUDVZRXQA-LJQANCHMSA-N -1 3 375.415 3.674 20 0 GHADHM CC(C)(C)OC(=O)CC1(NCc2nnc(-c3ccccc3[O-])o2)CCCCC1 ZINC000878860238 894676043 /nfs/dbraw/zinc/67/60/43/894676043.db2.gz CUZRICWARITUSD-UHFFFAOYSA-N -1 3 387.480 3.967 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCN(c2ccccc2F)C1 ZINC000564412027 894949647 /nfs/dbraw/zinc/94/96/47/894949647.db2.gz QYHXUNFPKQCZAH-NSHDSACASA-N -1 3 379.229 3.759 20 0 GHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000816777151 895064833 /nfs/dbraw/zinc/06/48/33/895064833.db2.gz SZIKCVIMFDQICK-ZWKOTPCHSA-N -1 3 398.469 3.809 20 0 GHADHM O=C([N-]c1nc(-c2ccc3c(c2)OCCO3)cs1)c1c(F)ccnc1F ZINC000816832847 895093638 /nfs/dbraw/zinc/09/36/38/895093638.db2.gz OXBCMRFMUAAHCF-UHFFFAOYSA-N -1 3 375.356 3.507 20 0 GHADHM CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1cccc(F)c1 ZINC001135714287 895147911 /nfs/dbraw/zinc/14/79/11/895147911.db2.gz FNJHFJSMOWDZLK-LJQANCHMSA-N -1 3 396.418 3.637 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000816976688 895234810 /nfs/dbraw/zinc/23/48/10/895234810.db2.gz IKWXGSQIYONFNN-MRVPVSSYSA-N -1 3 387.661 3.652 20 0 GHADHM CC[C@@H](C)CONC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000816976688 895234820 /nfs/dbraw/zinc/23/48/20/895234820.db2.gz IKWXGSQIYONFNN-MRVPVSSYSA-N -1 3 387.661 3.652 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@@H](C(F)(F)F)O1 ZINC000880056825 895483403 /nfs/dbraw/zinc/48/34/03/895483403.db2.gz LAKRAIZCCCUOQR-MFKMUULPSA-N -1 3 381.354 3.623 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000565291864 895510531 /nfs/dbraw/zinc/51/05/31/895510531.db2.gz IQOCOYJAJYBPRK-SFHVURJKSA-N -1 3 393.256 3.935 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000880275423 895607416 /nfs/dbraw/zinc/60/74/16/895607416.db2.gz PQRWVVAYYOCVQG-HNNXBMFYSA-N -1 3 388.873 3.575 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000880275423 895607420 /nfs/dbraw/zinc/60/74/20/895607420.db2.gz PQRWVVAYYOCVQG-HNNXBMFYSA-N -1 3 388.873 3.575 20 0 GHADHM CCc1cccc(OCCN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1 ZINC000565542463 895711939 /nfs/dbraw/zinc/71/19/39/895711939.db2.gz CEMCHHHLUBULPO-HXUWFJFHSA-N -1 3 399.487 3.719 20 0 GHADHM CCOCCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H](C)C(=O)[O-] ZINC000565600524 895753558 /nfs/dbraw/zinc/75/35/58/895753558.db2.gz ONEUCYRCEDJCCQ-GFCCVEGCSA-N -1 3 388.295 3.590 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1nc(C)sc1-c1ccccc1 ZINC000826174411 895760839 /nfs/dbraw/zinc/76/08/39/895760839.db2.gz VRJKFSBSQDMICX-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1nc(C)sc1-c1ccccc1 ZINC000826174411 895760861 /nfs/dbraw/zinc/76/08/61/895760861.db2.gz VRJKFSBSQDMICX-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM Nc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000818001291 895985107 /nfs/dbraw/zinc/98/51/07/895985107.db2.gz ZTVVYJLIXLHXGZ-QGZVFWFLSA-N -1 3 378.432 3.782 20 0 GHADHM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000880975490 896042161 /nfs/dbraw/zinc/04/21/61/896042161.db2.gz OMNACXGHTHEDTK-UHFFFAOYSA-N -1 3 381.280 3.781 20 0 GHADHM O=c1nc(Cn2cc([C@H]3CCCCO3)nn2)[n-]c2scc(-c3ccccc3)c21 ZINC000880993319 896051510 /nfs/dbraw/zinc/05/15/10/896051510.db2.gz VBUSJONCVFCLIU-MRXNPFEDSA-N -1 3 393.472 3.945 20 0 GHADHM CCC(CC)(CNCc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC000818629965 896221905 /nfs/dbraw/zinc/22/19/05/896221905.db2.gz JXNAHRPIPOVGAN-UHFFFAOYSA-N -1 3 392.931 3.881 20 0 GHADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(CCCc2ccccc2Br)CC1 ZINC000566368761 896261529 /nfs/dbraw/zinc/26/15/29/896261529.db2.gz QNTYEDUBWUTMHJ-WMZOPIPTSA-N -1 3 396.325 3.583 20 0 GHADHM CSc1ccncc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137168765 896539500 /nfs/dbraw/zinc/53/95/00/896539500.db2.gz KTJIVDKZJUEKAX-UHFFFAOYSA-N -1 3 390.262 3.660 20 0 GHADHM O=c1[n-]cnc2c1CCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)C2 ZINC000566759956 896548237 /nfs/dbraw/zinc/54/82/37/896548237.db2.gz DAROTUVVRHVEKD-UHFFFAOYSA-N -1 3 393.878 3.734 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000826247079 896617661 /nfs/dbraw/zinc/61/76/61/896617661.db2.gz SQSRUZFXLFCBAA-AWEZNQCLSA-N -1 3 395.772 3.862 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000826247079 896617668 /nfs/dbraw/zinc/61/76/68/896617668.db2.gz SQSRUZFXLFCBAA-AWEZNQCLSA-N -1 3 395.772 3.862 20 0 GHADHM C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC001136220153 896716498 /nfs/dbraw/zinc/71/64/98/896716498.db2.gz RUGUUVYXQMDYOX-GMXVVIOVSA-N -1 3 393.285 3.761 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCCc2cccc(C(F)(F)F)c2)c1 ZINC000820042476 897133787 /nfs/dbraw/zinc/13/37/87/897133787.db2.gz IYLVJMZBPFBXIR-SANMLTNESA-N -1 3 386.391 3.608 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567750657 897378468 /nfs/dbraw/zinc/37/84/68/897378468.db2.gz FEAJTAWCNDVARW-MQMHXKEQSA-N -1 3 377.366 3.754 20 0 GHADHM Cc1ccnc(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1-c1nnn[n-]1 ZINC000826309903 897439702 /nfs/dbraw/zinc/43/97/02/897439702.db2.gz FZWLZCRYQRHIJQ-UHFFFAOYSA-N -1 3 378.480 3.741 20 0 GHADHM Cc1ccnc(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1-c1nn[n-]n1 ZINC000826309903 897439716 /nfs/dbraw/zinc/43/97/16/897439716.db2.gz FZWLZCRYQRHIJQ-UHFFFAOYSA-N -1 3 378.480 3.741 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000820707038 897480791 /nfs/dbraw/zinc/48/07/91/897480791.db2.gz ZXXHYGWNKMMNQF-SFHVURJKSA-N -1 3 388.467 3.592 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(c4nncn4C4CC4)CC3)c2c1 ZINC000567978408 897518871 /nfs/dbraw/zinc/51/88/71/897518871.db2.gz DNBOKECWASEWMR-UHFFFAOYSA-N -1 3 391.475 3.860 20 0 GHADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)cc(Br)c1OC(F)F ZINC000131746389 897567247 /nfs/dbraw/zinc/56/72/47/897567247.db2.gz CHMMAKCNLYISPF-ONEGZZNKSA-N -1 3 387.180 3.703 20 0 GHADHM Cc1nc(CCNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000826325701 897629466 /nfs/dbraw/zinc/62/94/66/897629466.db2.gz ISZJMIJZSYRLBD-UHFFFAOYSA-N -1 3 392.488 3.865 20 0 GHADHM Cc1nc(CCNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000826325701 897629470 /nfs/dbraw/zinc/62/94/70/897629470.db2.gz ISZJMIJZSYRLBD-UHFFFAOYSA-N -1 3 392.488 3.865 20 0 GHADHM Cc1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826329474 897693941 /nfs/dbraw/zinc/69/39/41/897693941.db2.gz FKOBVPDHMGGKOJ-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826329474 897693953 /nfs/dbraw/zinc/69/39/53/897693953.db2.gz FKOBVPDHMGGKOJ-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000821158108 897767594 /nfs/dbraw/zinc/76/75/94/897767594.db2.gz UZULUJXUVRYKHT-GJZGRUSLSA-N -1 3 390.480 3.883 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000821413014 897868530 /nfs/dbraw/zinc/86/85/30/897868530.db2.gz WJXSVPBRBGNXOA-UHFFFAOYSA-N -1 3 376.420 3.841 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000821413014 897868540 /nfs/dbraw/zinc/86/85/40/897868540.db2.gz WJXSVPBRBGNXOA-UHFFFAOYSA-N -1 3 376.420 3.841 20 0 GHADHM C[C@@H](c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1)C(F)(F)F ZINC001275483007 914198642 /nfs/dbraw/zinc/19/86/42/914198642.db2.gz DWJIYVKHZFVWAJ-VIFPVBQESA-N -1 3 379.317 3.924 20 0 GHADHM C[C@@H](c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1)C(F)(F)F ZINC001275483007 914198655 /nfs/dbraw/zinc/19/86/55/914198655.db2.gz DWJIYVKHZFVWAJ-VIFPVBQESA-N -1 3 379.317 3.924 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000028752652 897884114 /nfs/dbraw/zinc/88/41/14/897884114.db2.gz KLTOXHPWQPAAMD-BXKDBHETSA-N -1 3 383.231 3.507 20 0 GHADHM Cc1sc(NC(=O)CN(C)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1C ZINC000826349362 897917577 /nfs/dbraw/zinc/91/75/77/897917577.db2.gz FSAZABPRKFQNDF-UHFFFAOYSA-N -1 3 392.488 3.773 20 0 GHADHM Cc1sc(NC(=O)CN(C)c2ccc3ccccc3c2)c(-c2nn[n-]n2)c1C ZINC000826349362 897917591 /nfs/dbraw/zinc/91/75/91/897917591.db2.gz FSAZABPRKFQNDF-UHFFFAOYSA-N -1 3 392.488 3.773 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1noc2cccnc21 ZINC001185929335 914207590 /nfs/dbraw/zinc/20/75/90/914207590.db2.gz FGKZDZNSGNQRJI-UHFFFAOYSA-N -1 3 396.447 3.638 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccc2c(c1)OCO2 ZINC001185929631 914208925 /nfs/dbraw/zinc/20/89/25/914208925.db2.gz JBIXKRZYOMVVNA-UHFFFAOYSA-N -1 3 398.459 3.830 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)no2)c2ccccc2n1 ZINC000821645564 898002223 /nfs/dbraw/zinc/00/22/23/898002223.db2.gz DWGJSRGVOUHXQH-UHFFFAOYSA-N -1 3 387.395 3.741 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821755546 898053813 /nfs/dbraw/zinc/05/38/13/898053813.db2.gz HGRVWQUODKGSAE-VIFPVBQESA-N -1 3 392.246 3.924 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821755546 898053825 /nfs/dbraw/zinc/05/38/25/898053825.db2.gz HGRVWQUODKGSAE-VIFPVBQESA-N -1 3 392.246 3.924 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1Cl ZINC000821822124 898106400 /nfs/dbraw/zinc/10/64/00/898106400.db2.gz KOLWGZNCLSZYCW-UHFFFAOYSA-N -1 3 388.777 3.816 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1Cl ZINC000821822124 898106404 /nfs/dbraw/zinc/10/64/04/898106404.db2.gz KOLWGZNCLSZYCW-UHFFFAOYSA-N -1 3 388.777 3.816 20 0 GHADHM FC(F)Oc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000826370063 898244764 /nfs/dbraw/zinc/24/47/64/898244764.db2.gz BSNFINHMIFWRRE-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826370063 898244780 /nfs/dbraw/zinc/24/47/80/898244780.db2.gz BSNFINHMIFWRRE-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233670 898261860 /nfs/dbraw/zinc/26/18/60/898261860.db2.gz SPENSIBEHRTTFR-PMACEKPBSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233670 898261876 /nfs/dbraw/zinc/26/18/76/898261876.db2.gz SPENSIBEHRTTFR-PMACEKPBSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(C)cc2C)sc1Br ZINC001185975399 914238538 /nfs/dbraw/zinc/23/85/38/914238538.db2.gz ZEMVBNBVIDCSJE-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC1c2ccccc2CCc2ccccc21 ZINC000826371630 898354995 /nfs/dbraw/zinc/35/49/95/898354995.db2.gz NDLRVYMOCNWMRK-UHFFFAOYSA-N -1 3 385.446 3.984 20 0 GHADHM Cc1nc(-c2ccc(C)c(NC(=O)c3cc([O-])cc(Br)c3)c2)n[nH]1 ZINC001149051406 898364445 /nfs/dbraw/zinc/36/44/45/898364445.db2.gz DILFTPIWJONXNS-UHFFFAOYSA-N -1 3 387.237 3.809 20 0 GHADHM Cc1sc(NC(=O)CN([C@H](C)c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557540 898473967 /nfs/dbraw/zinc/47/39/67/898473967.db2.gz IWNUGRXRQOJSBL-CYBMUJFWSA-N -1 3 396.520 3.709 20 0 GHADHM Cc1sc(NC(=O)CN([C@H](C)c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000822557540 898473973 /nfs/dbraw/zinc/47/39/73/898473973.db2.gz IWNUGRXRQOJSBL-CYBMUJFWSA-N -1 3 396.520 3.709 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000289594803 914255809 /nfs/dbraw/zinc/25/58/09/914255809.db2.gz XJAJFSCJIGTLHK-NSHDSACASA-N -1 3 389.468 3.762 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1)C(F)(F)F ZINC000289605717 914259963 /nfs/dbraw/zinc/25/99/63/914259963.db2.gz YASBXXWLLWXBBB-LLVKDONJSA-N -1 3 389.468 3.762 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ncc(Br)cc1F ZINC000800042811 898530299 /nfs/dbraw/zinc/53/02/99/898530299.db2.gz ZQKZODLTBOPTFM-AATRIKPKSA-N -1 3 375.194 3.535 20 0 GHADHM O=C([N-][C@H]1CCOc2c(Br)cccc21)C(F)(F)c1nccs1 ZINC000800078875 898567084 /nfs/dbraw/zinc/56/70/84/898567084.db2.gz INDBDLYETNFBPA-JTQLQIEISA-N -1 3 389.221 3.637 20 0 GHADHM Fc1cccc(F)c1CCN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826377172 898656816 /nfs/dbraw/zinc/65/68/16/898656816.db2.gz HTNFSNYGNTULAS-OAHLLOKOSA-N -1 3 383.324 3.581 20 0 GHADHM Fc1cccc(F)c1CCN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826377172 898656824 /nfs/dbraw/zinc/65/68/24/898656824.db2.gz HTNFSNYGNTULAS-OAHLLOKOSA-N -1 3 383.324 3.581 20 0 GHADHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000800153051 898672344 /nfs/dbraw/zinc/67/23/44/898672344.db2.gz RFYGXBMXOBEWMC-UHFFFAOYSA-N -1 3 383.659 3.968 20 0 GHADHM COCc1cccc(OCC2(COC(=O)c3cccc4nn[n-]c43)CCC2)c1 ZINC000800206680 898741742 /nfs/dbraw/zinc/74/17/42/898741742.db2.gz GWOKICZXIJPRLR-UHFFFAOYSA-N -1 3 381.432 3.510 20 0 GHADHM COCc1cccc(OCC2(COC(=O)c3cccc4[n-]nnc43)CCC2)c1 ZINC000800206680 898741746 /nfs/dbraw/zinc/74/17/46/898741746.db2.gz GWOKICZXIJPRLR-UHFFFAOYSA-N -1 3 381.432 3.510 20 0 GHADHM COCc1cccc(OCC2(COC(=O)c3cccc4n[n-]nc43)CCC2)c1 ZINC000800206680 898741752 /nfs/dbraw/zinc/74/17/52/898741752.db2.gz GWOKICZXIJPRLR-UHFFFAOYSA-N -1 3 381.432 3.510 20 0 GHADHM O=C(Nc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000823323553 898951269 /nfs/dbraw/zinc/95/12/69/898951269.db2.gz SLPKJXCCJVMUBD-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(Nc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000823323553 898951276 /nfs/dbraw/zinc/95/12/76/898951276.db2.gz SLPKJXCCJVMUBD-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM COc1cc(OC)c(CCNC(=O)c2cc3sccc3c([O-])c2)c(OC)c1 ZINC001136730290 899067008 /nfs/dbraw/zinc/06/70/08/899067008.db2.gz KACKTHYSJKROAL-UHFFFAOYSA-N -1 3 387.457 3.605 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1[O-] ZINC000823848607 899277781 /nfs/dbraw/zinc/27/77/81/899277781.db2.gz YWSLOFVDLUMECO-UHFFFAOYSA-N -1 3 395.484 3.913 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823943110 899324983 /nfs/dbraw/zinc/32/49/83/899324983.db2.gz NITMJLLTYKXHMD-ICFOKQHNSA-N -1 3 385.471 3.894 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823943110 899324996 /nfs/dbraw/zinc/32/49/96/899324996.db2.gz NITMJLLTYKXHMD-ICFOKQHNSA-N -1 3 385.471 3.894 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000824053385 899363261 /nfs/dbraw/zinc/36/32/61/899363261.db2.gz XXLYECIHSVYPQD-CQSZACIVSA-N -1 3 394.431 3.627 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000824053385 899363274 /nfs/dbraw/zinc/36/32/74/899363274.db2.gz XXLYECIHSVYPQD-CQSZACIVSA-N -1 3 394.431 3.627 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824114328 899415930 /nfs/dbraw/zinc/41/59/30/899415930.db2.gz OMZDMCKCROQPEG-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824114328 899415935 /nfs/dbraw/zinc/41/59/35/899415935.db2.gz OMZDMCKCROQPEG-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)Oc1ccc(CNc2cnccc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824324077 899528821 /nfs/dbraw/zinc/52/88/21/899528821.db2.gz GESUSWPVYXAGPL-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2cnccc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824324077 899528834 /nfs/dbraw/zinc/52/88/34/899528834.db2.gz GESUSWPVYXAGPL-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000824381711 899574768 /nfs/dbraw/zinc/57/47/68/899574768.db2.gz YWHKNKLCNYAHFA-UHFFFAOYSA-N -1 3 391.443 3.599 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472418 899617878 /nfs/dbraw/zinc/61/78/78/899617878.db2.gz WBGOXHSDXJNIOS-ACJLOTCBSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472418 899617889 /nfs/dbraw/zinc/61/78/89/899617889.db2.gz WBGOXHSDXJNIOS-ACJLOTCBSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@@H](NC(=O)C1(C)CCOCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471524 899617950 /nfs/dbraw/zinc/61/79/50/899617950.db2.gz REDLXPPIACKHTG-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)C1(C)CCOCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471524 899617956 /nfs/dbraw/zinc/61/79/56/899617956.db2.gz REDLXPPIACKHTG-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Cl)c1ccc2nsnc2c1 ZINC001186225257 914370077 /nfs/dbraw/zinc/37/00/77/914370077.db2.gz JTMLPCWGGGWATO-UHFFFAOYSA-N -1 3 394.787 3.559 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000332541705 899749952 /nfs/dbraw/zinc/74/99/52/899749952.db2.gz XIJHUCLIDSLKTO-LSDHHAIUSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(NC1CCN(Cc2ccccc2C(F)(F)F)CC1)c1ccc([O-])c(F)c1 ZINC001186243068 914381267 /nfs/dbraw/zinc/38/12/67/914381267.db2.gz WWPNBWXRQIJPQY-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc(CN4CCCC4=O)cc3)cc(=O)oc12 ZINC000120433562 899814581 /nfs/dbraw/zinc/81/45/81/899814581.db2.gz MSABIBXHHNNZFK-UHFFFAOYSA-N -1 3 378.428 3.542 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C)c(C)c1Cl ZINC001186249277 914385356 /nfs/dbraw/zinc/38/53/56/914385356.db2.gz SMVJWLQUFMLPQI-MWLCHTKSSA-N -1 3 379.931 3.601 20 0 GHADHM C[C@H](NC(=O)NC1CC(C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824894273 899864717 /nfs/dbraw/zinc/86/47/17/899864717.db2.gz XLIUQBSQBBWLCE-BIWSTMPVSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@H](NC(=O)NC1CC(C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824894273 899864723 /nfs/dbraw/zinc/86/47/23/899864723.db2.gz XLIUQBSQBBWLCE-BIWSTMPVSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824869195 899877297 /nfs/dbraw/zinc/87/72/97/899877297.db2.gz YZGGFVZAPUYYFE-QEEYODRMSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824869195 899877299 /nfs/dbraw/zinc/87/72/99/899877299.db2.gz YZGGFVZAPUYYFE-QEEYODRMSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938072 899897659 /nfs/dbraw/zinc/89/76/59/899897659.db2.gz SHNMLUQRZCSMEM-YPMHNXCESA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938072 899897666 /nfs/dbraw/zinc/89/76/66/899897666.db2.gz SHNMLUQRZCSMEM-YPMHNXCESA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000121177372 899972749 /nfs/dbraw/zinc/97/27/49/899972749.db2.gz IZDABZSMOYGOHH-GFCCVEGCSA-N -1 3 377.847 3.535 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(C(F)(F)F)cc1F)c1ccc2nsnc2c1 ZINC001186263563 914399703 /nfs/dbraw/zinc/39/97/03/914399703.db2.gz WQGOGQKKXVOGJU-UHFFFAOYSA-N -1 3 395.334 3.789 20 0 GHADHM CCCCC[C@@H](CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825268579 900063154 /nfs/dbraw/zinc/06/31/54/900063154.db2.gz VGUSZPWBFRNXPE-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCC[C@@H](CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825268579 900063158 /nfs/dbraw/zinc/06/31/58/900063158.db2.gz VGUSZPWBFRNXPE-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCC[C@@H](CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825268613 900063224 /nfs/dbraw/zinc/06/32/24/900063224.db2.gz WGGPEFDHUMWHPY-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCC[C@@H](CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825268613 900063233 /nfs/dbraw/zinc/06/32/33/900063233.db2.gz WGGPEFDHUMWHPY-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM COc1ccc2cc(C=CC(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)ccc2c1 ZINC000825298287 900079058 /nfs/dbraw/zinc/07/90/58/900079058.db2.gz NBXNBFVWVOZMST-UXBLZVDNSA-N -1 3 389.455 3.941 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001137040807 900181206 /nfs/dbraw/zinc/18/12/06/900181206.db2.gz XBCYKZSTWUTNQL-INIZCTEOSA-N -1 3 376.497 3.987 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000843891456 900294848 /nfs/dbraw/zinc/29/48/48/900294848.db2.gz YVCUHABQJSYWMM-CQSZACIVSA-N -1 3 376.453 3.571 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)c1cccc(C)c1 ZINC001143662504 900306660 /nfs/dbraw/zinc/30/66/60/900306660.db2.gz BVCFJUGRVYBQSF-UHFFFAOYSA-N -1 3 389.411 3.578 20 0 GHADHM CC[C@H](c1ccccc1)N(CCCS(=O)(=O)c1cccc(C)c1)CC(=O)[O-] ZINC000573221931 900419803 /nfs/dbraw/zinc/41/98/03/900419803.db2.gz VYRTWVKKTUFBMF-HXUWFJFHSA-N -1 3 389.517 3.697 20 0 GHADHM CCCONC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000844079695 900486878 /nfs/dbraw/zinc/48/68/78/900486878.db2.gz HXCQJYMZUQVIIX-UHFFFAOYSA-N -1 3 390.505 3.792 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(OC[C@H]3CCCO3)CC2)c1C ZINC000844207756 900602121 /nfs/dbraw/zinc/60/21/21/900602121.db2.gz FFDAHCIAMYXJBP-QGZVFWFLSA-N -1 3 384.476 3.714 20 0 GHADHM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000573945583 900713846 /nfs/dbraw/zinc/71/38/46/900713846.db2.gz FUYQEBMYUBMLCB-AWEZNQCLSA-N -1 3 390.842 3.605 20 0 GHADHM O=c1[n-]c(SCc2cscn2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000844383833 900782183 /nfs/dbraw/zinc/78/21/83/900782183.db2.gz OVKNSJKFEBQBDV-UHFFFAOYSA-N -1 3 375.866 3.923 20 0 GHADHM O=C(c1csc(-c2cccc3ccccc32)n1)N1CCc2nc[n-]c(=O)c2C1 ZINC000574349716 900855577 /nfs/dbraw/zinc/85/55/77/900855577.db2.gz VLIZGTFDISOPNG-UHFFFAOYSA-N -1 3 388.452 3.657 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000068834368 901098442 /nfs/dbraw/zinc/09/84/42/901098442.db2.gz YSFMALCKHRXVGA-VQIMIIECSA-N -1 3 382.508 3.548 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000575188249 901153779 /nfs/dbraw/zinc/15/37/79/901153779.db2.gz QCJUZPHQROZASZ-NQIIRXRSSA-N -1 3 394.515 3.653 20 0 GHADHM Cc1ccc2[nH]c(-c3ccccc3[N-]S(=O)(=O)C[C@H]3CCCOC3)nc2c1 ZINC000844667042 901155879 /nfs/dbraw/zinc/15/58/79/901155879.db2.gz IELGSNUFCGFODX-HNNXBMFYSA-N -1 3 385.489 3.707 20 0 GHADHM Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)C[C@H]3CCCOC3)[nH]c2c1 ZINC000844667042 901155885 /nfs/dbraw/zinc/15/58/85/901155885.db2.gz IELGSNUFCGFODX-HNNXBMFYSA-N -1 3 385.489 3.707 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000575929058 901484682 /nfs/dbraw/zinc/48/46/82/901484682.db2.gz MHBOJXUPGOGRMM-GOSISDBHSA-N -1 3 380.897 3.777 20 0 GHADHM C[C@@]1(CCNC(=O)NCc2ccc([O-])c(Br)c2)C[C@]1(F)Cl ZINC000845065934 901762531 /nfs/dbraw/zinc/76/25/31/901762531.db2.gz XQUHZQJCLQNWED-ZIAGYGMSSA-N -1 3 379.657 3.659 20 0 GHADHM COc1cc(CN(CC(=O)[O-])Cc2ccc(SC)c(OC)c2)cc(OC)c1 ZINC000576285468 901912799 /nfs/dbraw/zinc/91/27/99/901912799.db2.gz JELFNTILSNXOMJ-UHFFFAOYSA-N -1 3 391.489 3.521 20 0 GHADHM [O-]c1coc2cc(OC[C@@H](O)COc3ccc(-c4ccccc4)cc3)ccc12 ZINC000576295712 901918966 /nfs/dbraw/zinc/91/89/66/901918966.db2.gz SKZFNLUCNSPTSG-SFHVURJKSA-N -1 3 376.408 3.747 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c1Cl ZINC000333706711 902281848 /nfs/dbraw/zinc/28/18/48/902281848.db2.gz PBQDTJISJVUWNF-GFCCVEGCSA-N -1 3 378.321 3.929 20 0 GHADHM CCCCc1nc(NC(=O)c2ncsc2C(F)(F)F)c(C(=O)OCC)[n-]1 ZINC000282991238 902442018 /nfs/dbraw/zinc/44/20/18/902442018.db2.gz CFKLKBTWZSQCDW-UHFFFAOYSA-N -1 3 390.387 3.657 20 0 GHADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)c(C)o1 ZINC000845874996 902479205 /nfs/dbraw/zinc/47/92/05/902479205.db2.gz NBOFYXREXKQYTQ-AWEZNQCLSA-N -1 3 398.333 3.592 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3c[nH]c4ccc(F)cc34)nc2)n1 ZINC000577095829 902498993 /nfs/dbraw/zinc/49/89/93/902498993.db2.gz FTEVLSTZWWQXQJ-UHFFFAOYSA-N -1 3 377.423 3.504 20 0 GHADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000577135677 902528483 /nfs/dbraw/zinc/52/84/83/902528483.db2.gz RMMQSRMMSXCNMV-SGTLLEGYSA-N -1 3 385.851 3.896 20 0 GHADHM C/C=C1\[C@H]2C=C(C)C[C@]1(NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(=O)[nH]c1C2 ZINC001144633022 902540070 /nfs/dbraw/zinc/54/00/70/902540070.db2.gz AMLWPGOUEHIGEZ-VWVNXAJRSA-N -1 3 394.446 3.655 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000577469413 902798061 /nfs/dbraw/zinc/79/80/61/902798061.db2.gz MAJHSLYCOQKIIX-CQSZACIVSA-N -1 3 392.249 3.883 20 0 GHADHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)CCOc1ccccc1Cl ZINC000846233208 902807425 /nfs/dbraw/zinc/80/74/25/902807425.db2.gz BRHRLALFDFMMOK-FLIBITNWSA-N -1 3 375.852 3.827 20 0 GHADHM Cc1noc(C)c1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000264126378 902859616 /nfs/dbraw/zinc/85/96/16/902859616.db2.gz XTPRLRADEZFSMA-UHFFFAOYSA-N -1 3 392.843 3.533 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3ncc(C(C)(C)C)o3)nc(=O)c2c1C ZINC000130089101 902894087 /nfs/dbraw/zinc/89/40/87/902894087.db2.gz BBJSUCHRZXSHLE-UHFFFAOYSA-N -1 3 393.490 3.657 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846580468 903062767 /nfs/dbraw/zinc/06/27/67/903062767.db2.gz VTEHMVZJYONKFP-MRXNPFEDSA-N -1 3 397.219 3.552 20 0 GHADHM CC(C)[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290460392 914690997 /nfs/dbraw/zinc/69/09/97/914690997.db2.gz VHEYEQLTBNAOJP-RDJZCZTQSA-N -1 3 384.442 3.733 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN[C@@H](CCF)C(=O)[O-] ZINC000846782393 903199543 /nfs/dbraw/zinc/19/95/43/903199543.db2.gz HZNLXBGSQYYDSC-ZDUSSCGKSA-N -1 3 393.768 3.755 20 0 GHADHM Cc1cccc(COc2cccc(NC(=O)CNC(=O)c3ccc([O-])cc3)c2)c1 ZINC000601037445 903257255 /nfs/dbraw/zinc/25/72/55/903257255.db2.gz DWSFFXGZNJMKNL-UHFFFAOYSA-N -1 3 390.439 3.648 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c([O-])c1 ZINC001146578723 903567742 /nfs/dbraw/zinc/56/77/42/903567742.db2.gz IHCAQGMZAGNYML-UHFFFAOYSA-N -1 3 395.503 3.696 20 0 GHADHM COc1ccccc1C1(NC(=O)c2cc([O-])cc(Br)c2)CCC1 ZINC001146821611 903606945 /nfs/dbraw/zinc/60/69/45/903606945.db2.gz FQFPXOHQAUYUHP-UHFFFAOYSA-N -1 3 376.250 3.973 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@@H](C)C1 ZINC001147331503 903758506 /nfs/dbraw/zinc/75/85/06/903758506.db2.gz KUIKGSRQHLFCCM-PJXYFTJBSA-N -1 3 377.282 3.845 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](CCc2ccccc2)C(F)F)cc1 ZINC001147486827 903815420 /nfs/dbraw/zinc/81/54/20/903815420.db2.gz YIZPIBJNEGYNSE-MRXNPFEDSA-N -1 3 383.341 3.853 20 0 GHADHM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001147553040 903818131 /nfs/dbraw/zinc/81/81/31/903818131.db2.gz HYJZAROLUNOKGG-QWHCGFSZSA-N -1 3 389.477 3.785 20 0 GHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000265382652 903854896 /nfs/dbraw/zinc/85/48/96/903854896.db2.gz ZCSTXGNTFLKZTB-CQSZACIVSA-N -1 3 383.514 3.501 20 0 GHADHM Cn1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c(-c2ccco2)n1 ZINC001147911613 903917248 /nfs/dbraw/zinc/91/72/48/903917248.db2.gz BDYFZSYWVNOOER-UHFFFAOYSA-N -1 3 389.437 3.736 20 0 GHADHM C[C@]12CN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887876345 903972787 /nfs/dbraw/zinc/97/27/87/903972787.db2.gz BYDVLTSHEPRYRS-RCJHKNESSA-N -1 3 399.288 3.575 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cn1 ZINC000775048174 914773278 /nfs/dbraw/zinc/77/32/78/914773278.db2.gz GPICPFDZZMZPNN-UHFFFAOYSA-N -1 3 399.419 3.649 20 0 GHADHM Cc1ccc(C(=O)NCc2cn(Cc3ccccc3C(F)(F)F)cn2)c([O-])c1 ZINC001148506873 904100769 /nfs/dbraw/zinc/10/07/69/904100769.db2.gz DBMZCRNTVNSUPD-UHFFFAOYSA-N -1 3 389.377 3.894 20 0 GHADHM CC(=O)c1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2c(C)cccc2C)ccc1[O-] ZINC001148655407 904138322 /nfs/dbraw/zinc/13/83/22/904138322.db2.gz BQLIONDKVUNRBE-IBGZPJMESA-N -1 3 394.471 3.845 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1[O-] ZINC000578872711 904198805 /nfs/dbraw/zinc/19/88/05/904198805.db2.gz XBPGODRLIMFHPV-UHFFFAOYSA-N -1 3 386.492 3.789 20 0 GHADHM CC[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)Oc1cccc(F)c1 ZINC001148979870 904270791 /nfs/dbraw/zinc/27/07/91/904270791.db2.gz WSNCOBRTAGDGKQ-HNNXBMFYSA-N -1 3 382.229 3.881 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c2ccccc2n1C ZINC000579094160 904345011 /nfs/dbraw/zinc/34/50/11/904345011.db2.gz RSHLUNQSYUBCOW-SFHVURJKSA-N -1 3 399.516 3.673 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]1C1CC1 ZINC000579186591 904408030 /nfs/dbraw/zinc/40/80/30/904408030.db2.gz OVXMEHCEHOLPFR-INIZCTEOSA-N -1 3 375.266 3.551 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1)c1ccsc1 ZINC000646752402 914816401 /nfs/dbraw/zinc/81/64/01/914816401.db2.gz BJGUVZUYILBJDK-UHFFFAOYSA-N -1 3 398.406 3.507 20 0 GHADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccccc1I ZINC000579407995 904572589 /nfs/dbraw/zinc/57/25/89/904572589.db2.gz SQRDTBJNIRJGJZ-OAHLLOKOSA-N -1 3 380.229 3.729 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C(=O)Nc1ccccc1 ZINC001186810616 914826448 /nfs/dbraw/zinc/82/64/48/914826448.db2.gz LLCDUKKGLMJOQU-VIFPVBQESA-N -1 3 393.317 3.502 20 0 GHADHM Cc1noc([C@@H]2CC[C@H](CNC(=O)c3cc(Oc4ccccc4)ccc3[O-])O2)n1 ZINC000579551903 904694603 /nfs/dbraw/zinc/69/46/03/904694603.db2.gz XXMMSMMZBXNHOF-APWZRJJASA-N -1 3 395.415 3.526 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](c4nnc5ccccn54)C3)c2c1 ZINC000579597471 904729482 /nfs/dbraw/zinc/72/94/82/904729482.db2.gz PFQQAQGCKXTOPA-OAHLLOKOSA-N -1 3 387.443 3.668 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2C)c1 ZINC001186900750 914843717 /nfs/dbraw/zinc/84/37/17/914843717.db2.gz ILCQGCSVJMVQHZ-GOSISDBHSA-N -1 3 393.480 3.986 20 0 GHADHM O=C(NCC[C@@H]1CC=CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001171556683 904826693 /nfs/dbraw/zinc/82/66/93/904826693.db2.gz HHNBAFAATFESNG-GFCCVEGCSA-N -1 3 375.266 3.767 20 0 GHADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccco1)C(O)(c1ccccc1)c1ccccc1 ZINC001186875372 914847758 /nfs/dbraw/zinc/84/77/58/914847758.db2.gz WTEFHZHEKMRMAF-FQEVSTJZSA-N -1 3 399.512 3.909 20 0 GHADHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc2ccc(Cl)cc2n1 ZINC001171607418 904868599 /nfs/dbraw/zinc/86/85/99/904868599.db2.gz IMQRSFUEYVRNHJ-NHYWBVRUSA-N -1 3 385.817 3.920 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CC2CC2)c2cccc(F)c2)c(Cl)c1 ZINC001171644122 904933409 /nfs/dbraw/zinc/93/34/09/904933409.db2.gz ONBKFMOCIRPBRB-UHFFFAOYSA-N -1 3 396.871 3.907 20 0 GHADHM O=C(C[C@@H]1C=CCCC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171916209 905146790 /nfs/dbraw/zinc/14/67/90/905146790.db2.gz YOWLLLPXPSJNQS-CABCVRRESA-N -1 3 380.410 3.932 20 0 GHADHM C[C@H](N[C@@H]1CCC[C@H](C(F)(F)C(=O)[O-])C1)c1nc(-c2cccc(F)c2)no1 ZINC000901457953 921126777 /nfs/dbraw/zinc/12/67/77/921126777.db2.gz XDZLZYHZRDSIPK-VHRBIJSZSA-N -1 3 383.370 3.805 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2F)C[C@H](C)O1 ZINC000299039759 921147834 /nfs/dbraw/zinc/14/78/34/921147834.db2.gz NVNDQFPJYHIJAL-OKILXGFUSA-N -1 3 395.434 3.945 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000190241928 905878903 /nfs/dbraw/zinc/87/89/03/905878903.db2.gz CSLFMKMCSHJCHC-UHFFFAOYSA-N -1 3 392.864 3.864 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000628072124 905925323 /nfs/dbraw/zinc/92/53/23/905925323.db2.gz CIZZJVHDJDUYHY-MRXNPFEDSA-N -1 3 392.249 3.742 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001172871295 905941077 /nfs/dbraw/zinc/94/10/77/905941077.db2.gz JSZUTAWRYPSTGR-AWEZNQCLSA-N -1 3 376.859 3.574 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000299125225 921211829 /nfs/dbraw/zinc/21/18/29/921211829.db2.gz MSJNPICQFCHVEQ-UHFFFAOYSA-N -1 3 394.450 3.671 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3ccc4ccccc4n3)cc2)n1 ZINC000365867587 921223427 /nfs/dbraw/zinc/22/34/27/921223427.db2.gz UQAUOWYSXFXQLW-UHFFFAOYSA-N -1 3 384.439 3.865 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C[C@@H](C)C1CCCCC1 ZINC000628982301 906410759 /nfs/dbraw/zinc/41/07/59/906410759.db2.gz HDBRICMRFZIZQI-MRXNPFEDSA-N -1 3 396.535 3.748 20 0 GHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(CN2CCOCC2)cc1 ZINC000773382360 906511505 /nfs/dbraw/zinc/51/15/05/906511505.db2.gz JTMVFNFQLPJMMQ-UHFFFAOYSA-N -1 3 388.533 3.617 20 0 GHADHM CCc1cc2c(CN[C@H](c3nc(C4CC4)no3)C(C)C)cc(=O)oc2cc1[O-] ZINC000179820811 906609581 /nfs/dbraw/zinc/60/95/81/906609581.db2.gz ANDCZXNDUNEDIL-IBGZPJMESA-N -1 3 383.448 3.808 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000629496877 906831748 /nfs/dbraw/zinc/83/17/48/906831748.db2.gz YNYXCSSYIYECGG-UXPWSPDFSA-N -1 3 386.536 3.690 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2)ccc1N ZINC001174207013 906868735 /nfs/dbraw/zinc/86/87/35/906868735.db2.gz BVARIMBVSQHGAF-UHFFFAOYSA-N -1 3 381.457 3.630 20 0 GHADHM O=C(c1cccc(Nc2cc(Br)cc(F)c2[O-])c1)N1CCOCC1 ZINC001174179735 906871951 /nfs/dbraw/zinc/87/19/51/906871951.db2.gz NFESOAVKJHYHJK-UHFFFAOYSA-N -1 3 395.228 3.510 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000299275455 921276804 /nfs/dbraw/zinc/27/68/04/921276804.db2.gz KMKURRPLCOTNKV-UHFFFAOYSA-N -1 3 376.815 3.676 20 0 GHADHM COC[C@@H](C)N(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000629749506 907009482 /nfs/dbraw/zinc/00/94/82/907009482.db2.gz WSQWIIRPZFJJKI-VLIAUNLRSA-N -1 3 382.460 3.515 20 0 GHADHM COc1ccc(Cn2cc(Nc3ncc(Br)cc3[O-])c(C)n2)cc1 ZINC001174577238 907094742 /nfs/dbraw/zinc/09/47/42/907094742.db2.gz UYRADMBSLOYWQA-UHFFFAOYSA-N -1 3 389.253 3.855 20 0 GHADHM O=C([O-])CC1(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCCC1 ZINC000299357589 921302001 /nfs/dbraw/zinc/30/20/01/921302001.db2.gz UBJGUKQPAHPVRI-FQEVSTJZSA-N -1 3 386.536 3.973 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(Cl)c2Cl)ccc1F ZINC000773408877 907239913 /nfs/dbraw/zinc/23/99/13/907239913.db2.gz MAVYEESJBOJRFV-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM O=C([O-])C[C@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC000630472627 907299473 /nfs/dbraw/zinc/29/94/73/907299473.db2.gz MORGVBWLHYCCCR-CQSZACIVSA-N -1 3 394.878 3.821 20 0 GHADHM [O-]c1ccc(F)c(Nc2cc3c(cc2I)OCO3)c1F ZINC001175270481 907481950 /nfs/dbraw/zinc/48/19/50/907481950.db2.gz BDJVTWWSKFVUTC-UHFFFAOYSA-N -1 3 391.111 3.747 20 0 GHADHM Nc1ccccc1OCCOc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428443 907548526 /nfs/dbraw/zinc/54/85/26/907548526.db2.gz JNBUOEDFEXQSCL-UHFFFAOYSA-N -1 3 388.431 3.650 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C3CCC3)[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000631513534 907738825 /nfs/dbraw/zinc/73/88/25/907738825.db2.gz UBYWGHOXAVPDSH-UYAOXDASSA-N -1 3 382.464 3.627 20 0 GHADHM C[C@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000632051529 907910980 /nfs/dbraw/zinc/91/09/80/907910980.db2.gz OWSOCWOETMVBTF-STQMWFEESA-N -1 3 391.484 3.923 20 0 GHADHM CCN(CC)C(=O)c1cc(F)cc(Nc2ncc(Br)cc2[O-])c1 ZINC001176295197 908018292 /nfs/dbraw/zinc/01/82/92/908018292.db2.gz HURQJWLGBCCLEE-UHFFFAOYSA-N -1 3 382.233 3.914 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2N)c(F)cc1Cl ZINC001176526849 908154634 /nfs/dbraw/zinc/15/46/34/908154634.db2.gz WQSYTJCSFAKIQK-UHFFFAOYSA-N -1 3 393.665 3.933 20 0 GHADHM O=c1cc(CN2CCC(Oc3ccc(F)cc3F)CC2)c2ccc([O-])cc2o1 ZINC000193345260 908281094 /nfs/dbraw/zinc/28/10/94/908281094.db2.gz QXGQYCVEBKBPQM-UHFFFAOYSA-N -1 3 387.382 3.820 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC001177128450 908401716 /nfs/dbraw/zinc/40/17/16/908401716.db2.gz MIPKUKZTDKXEIQ-UHFFFAOYSA-N -1 3 380.470 3.840 20 0 GHADHM O=C(NC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001177430493 908587626 /nfs/dbraw/zinc/58/76/26/908587626.db2.gz PGQLSCAHLSDQGV-CRAIPNDOSA-N -1 3 379.378 3.823 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000194756956 908920767 /nfs/dbraw/zinc/92/07/67/908920767.db2.gz DAAVWLIHMWJGJK-GFCCVEGCSA-N -1 3 375.202 3.638 20 0 GHADHM Cn1cc(Cl)c([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)n1 ZINC001178465894 909067084 /nfs/dbraw/zinc/06/70/84/909067084.db2.gz OAXWKLQKBKVHQV-UHFFFAOYSA-N -1 3 386.530 3.645 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901681701 921467179 /nfs/dbraw/zinc/46/71/79/921467179.db2.gz MUJJFOFJPZOVMS-SFHVURJKSA-N -1 3 391.899 3.598 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001178637864 909160482 /nfs/dbraw/zinc/16/04/82/909160482.db2.gz QJDCKOMAKIBCJD-LBEPJEHYSA-N -1 3 396.487 3.747 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1 ZINC000266583301 909222596 /nfs/dbraw/zinc/22/25/96/909222596.db2.gz PUZNZMKVIVZTHS-AWEZNQCLSA-N -1 3 387.505 3.950 20 0 GHADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000901695231 921487565 /nfs/dbraw/zinc/48/75/65/921487565.db2.gz JIAMABICCMEDRC-OAHLLOKOSA-N -1 3 378.213 3.737 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000266987954 909358576 /nfs/dbraw/zinc/35/85/76/909358576.db2.gz TYAHROWYHWPMDC-UHFFFAOYSA-N -1 3 397.504 3.833 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1[C@H](C)CCCN1C(=O)OC(C)(C)C ZINC001179101341 909371652 /nfs/dbraw/zinc/37/16/52/909371652.db2.gz UTVPXXXQUNYICQ-PXAZEXFGSA-N -1 3 376.453 3.569 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000267070369 909381107 /nfs/dbraw/zinc/38/11/07/909381107.db2.gz YYGNXJVMKLSFPP-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM Cc1ccc2cc(Cl)cc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c2n1 ZINC001179182738 909397822 /nfs/dbraw/zinc/39/78/22/909397822.db2.gz ITULKTNZRAXVBW-MRVPVSSYSA-N -1 3 383.761 3.825 20 0 GHADHM CSc1cc(Br)ccc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636111842 909430640 /nfs/dbraw/zinc/43/06/40/909430640.db2.gz MGGFWGXVWUPHMY-UHFFFAOYSA-N -1 3 396.310 3.640 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)n1 ZINC000636109755 909430683 /nfs/dbraw/zinc/43/06/83/909430683.db2.gz HWOWHTZMOAZFQP-RDJZCZTQSA-N -1 3 377.529 3.998 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)o2)c(C)c1 ZINC000636114260 909435421 /nfs/dbraw/zinc/43/54/21/909435421.db2.gz HHEFYJVCIIVQHO-UHFFFAOYSA-N -1 3 395.459 3.945 20 0 GHADHM Cc1cc(OCCCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1Cl ZINC000636317938 909536010 /nfs/dbraw/zinc/53/60/10/909536010.db2.gz MRMLVJVSNITQCO-UHFFFAOYSA-N -1 3 389.883 3.887 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636318811 909537473 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O=C(Cc1ccccc1Oc1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001179878751 909801417 /nfs/dbraw/zinc/80/14/17/909801417.db2.gz SZWWPTDNFHMFBQ-UHFFFAOYSA-N -1 3 385.427 3.518 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954131 909863591 /nfs/dbraw/zinc/86/35/91/909863591.db2.gz FUNLNWDAVYNXJS-UHFFFAOYSA-N -1 3 399.834 3.746 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954131 909863604 /nfs/dbraw/zinc/86/36/04/909863604.db2.gz FUNLNWDAVYNXJS-UHFFFAOYSA-N -1 3 399.834 3.746 20 0 GHADHM CCO[C@@H]1C[C@@H](N[C@H](C(=O)[O-])c2ccccc2F)[C@H]1Sc1ccccc1 ZINC000901750236 921533823 /nfs/dbraw/zinc/53/38/23/921533823.db2.gz RASMDZDAFWUBLH-AKHDSKFASA-N -1 3 375.465 3.879 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)s1 ZINC000268811502 910029489 /nfs/dbraw/zinc/02/94/89/910029489.db2.gz UJEYJYCAQFYLAO-UHFFFAOYSA-N -1 3 393.353 3.631 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(C)nn(C(C)(C)C)c3C)nc21 ZINC001180282495 910072505 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CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2sc3ccccc3c2Cl)n[nH]1 ZINC000649877708 916496534 /nfs/dbraw/zinc/49/65/34/916496534.db2.gz UBIUNQAKKIGBOQ-SECBINFHSA-N -1 3 384.914 3.836 20 0 GHADHM COc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccc(F)c(F)c2)nc1 ZINC001189318992 916549807 /nfs/dbraw/zinc/54/98/07/916549807.db2.gz KHBGQSOHUXSWLB-UHFFFAOYSA-N -1 3 390.411 3.977 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001189383216 916580230 /nfs/dbraw/zinc/58/02/30/916580230.db2.gz INNGMVGXKVPAFI-ZIAGYGMSSA-N -1 3 391.880 3.566 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ncc(Br)cc1Cl ZINC001189644210 916768899 /nfs/dbraw/zinc/76/88/99/916768899.db2.gz PCZXWHQBXFIJGG-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1CC[C@H]1COCc1ccccc1 ZINC001189763228 916898823 /nfs/dbraw/zinc/89/88/23/916898823.db2.gz RDRLDLDSCRKZKE-AWEZNQCLSA-N -1 3 381.350 3.722 20 0 GHADHM Cc1ccc([C@@]2(C)CN(C(=O)c3cccc(OC(F)(F)F)c3[O-])CCO2)cc1 ZINC001189763805 916900025 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C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000294890479 917035300 /nfs/dbraw/zinc/03/53/00/917035300.db2.gz UYRYBUHOAUGOLH-CABCVRRESA-N -1 3 399.491 3.706 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000650504679 917042612 /nfs/dbraw/zinc/04/26/12/917042612.db2.gz XWZRFSYWPPRGHB-HXUWFJFHSA-N -1 3 390.499 3.816 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1c(F)cncc1F ZINC001190109135 917110685 /nfs/dbraw/zinc/11/06/85/917110685.db2.gz VBYBZZSULNPBPL-ZETCQYMHSA-N -1 3 398.765 3.654 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(Cl)cc1 ZINC001190328531 917262483 /nfs/dbraw/zinc/26/24/83/917262483.db2.gz OCIICIJNLNHKCM-UHFFFAOYSA-N -1 3 395.761 3.659 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2cccn2)c1)c1cc(C(F)(F)F)ccc1F ZINC001190328553 917263165 /nfs/dbraw/zinc/26/31/65/917263165.db2.gz OVYKOXMDAFKFBV-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM CC(C)CC1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC001190350565 917278597 /nfs/dbraw/zinc/27/85/97/917278597.db2.gz NDEVLTLVWZEWNA-UHFFFAOYSA-N -1 3 383.407 3.718 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1F)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350368 917278891 /nfs/dbraw/zinc/27/88/91/917278891.db2.gz GOXHNQQBCXUKKE-CQSZACIVSA-N -1 3 392.349 3.808 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000295555335 917355515 /nfs/dbraw/zinc/35/55/15/917355515.db2.gz JIYGDEPQXDIVRG-CABCVRRESA-N -1 3 399.491 3.706 20 0 GHADHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000295555343 917355928 /nfs/dbraw/zinc/35/59/28/917355928.db2.gz JIYGDEPQXDIVRG-LSDHHAIUSA-N -1 3 399.491 3.706 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccn1 ZINC001190601433 917441082 /nfs/dbraw/zinc/44/10/82/917441082.db2.gz ZXTIETWJDNJWNZ-INIZCTEOSA-N -1 3 396.896 3.587 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC001190602712 917443019 /nfs/dbraw/zinc/44/30/19/917443019.db2.gz WNJBIUZWBUEXHX-INIZCTEOSA-N -1 3 397.855 3.622 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651592346 917672795 /nfs/dbraw/zinc/67/27/95/917672795.db2.gz WPTXJCGUABTHJY-SECBINFHSA-N -1 3 386.347 3.578 20 0 GHADHM Cc1cccc(CNC(=O)Nc2ccc([O-])c(I)c2)c1 ZINC001190994408 917722889 /nfs/dbraw/zinc/72/28/89/917722889.db2.gz DXOCMXMDSXPWMJ-UHFFFAOYSA-N -1 3 382.201 3.627 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(OC[C@H]2CCCO2)CC1 ZINC000363126649 917808638 /nfs/dbraw/zinc/80/86/38/917808638.db2.gz MBDJYWSJRAVMPX-HXUWFJFHSA-N -1 3 397.471 3.985 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363170051 917859722 /nfs/dbraw/zinc/85/97/22/917859722.db2.gz BTRUEORPOYUZLQ-LLVKDONJSA-N -1 3 395.912 3.717 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(O)ccc1Br ZINC001191821380 918245632 /nfs/dbraw/zinc/24/56/32/918245632.db2.gz OIBQIGLLAAMJPS-UHFFFAOYSA-N -1 3 386.267 3.663 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ncco1)C1=Cc2ccccc2OCC1 ZINC001191827389 918250626 /nfs/dbraw/zinc/25/06/26/918250626.db2.gz AHQBEQPZFSYRIO-IBGZPJMESA-N -1 3 396.468 3.701 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866155 918269415 /nfs/dbraw/zinc/26/94/15/918269415.db2.gz NGDVWAUNNZQVLO-UHFFFAOYSA-N -1 3 377.224 3.672 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 ZINC000297017366 918982864 /nfs/dbraw/zinc/98/28/64/918982864.db2.gz QEHUIPDDZMIFAF-NBCNXNJRSA-N -1 3 382.435 3.692 20 0 GHADHM O=C([O-])[C@@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCCCCC1 ZINC000900049685 919775631 /nfs/dbraw/zinc/77/56/31/919775631.db2.gz QFQWCDUFEPACJA-INIZCTEOSA-N -1 3 394.878 3.821 20 0 GHADHM Cc1nn2c(CNCCc3cc4ccc(C(=O)[O-])cc4o3)c(C(C)C)nc2s1 ZINC000900074996 919807896 /nfs/dbraw/zinc/80/78/96/919807896.db2.gz HDYBUXQWCHASTA-UHFFFAOYSA-N -1 3 398.488 3.999 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cc(OC(F)F)n(C)n3)n2)cc1 ZINC000466859065 920282840 /nfs/dbraw/zinc/28/28/40/920282840.db2.gz MNYZTKRFEASBIT-UHFFFAOYSA-N -1 3 397.432 3.514 20 0 GHADHM CCOc1cc(CNc2ccc(CCS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000298380807 920471670 /nfs/dbraw/zinc/47/16/70/920471670.db2.gz LADLIHNNZFPQCY-UHFFFAOYSA-N -1 3 383.897 3.644 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000900652392 920487379 /nfs/dbraw/zinc/48/73/79/920487379.db2.gz MQHBVWJSDHWDHY-UHFFFAOYSA-N -1 3 395.484 3.939 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)o1 ZINC000800901515 920582224 /nfs/dbraw/zinc/58/22/24/920582224.db2.gz UUJIWGSMXOWBTC-ZWNOBZJWSA-N -1 3 379.865 3.664 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000801315013 920923362 /nfs/dbraw/zinc/92/33/62/920923362.db2.gz QPXRGUDNPYUREN-QGZVFWFLSA-N -1 3 385.435 3.560 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2c([O-])cccc2OC)CC1 ZINC000901312706 921007979 /nfs/dbraw/zinc/00/79/79/921007979.db2.gz HEABJIFGSGDRLQ-UHFFFAOYSA-N -1 3 379.460 3.790 20 0 GHADHM C[C@H]1CCN(Cc2cc(OC(F)F)ccc2Br)[C@@H](C(=O)[O-])C1 ZINC000902013699 921815286 /nfs/dbraw/zinc/81/52/86/921815286.db2.gz XWSZZHLRHQMJOA-TVQRCGJNSA-N -1 3 378.213 3.736 20 0 GHADHM Cc1oc(C(=O)[O-])cc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000902175555 921953334 /nfs/dbraw/zinc/95/33/34/921953334.db2.gz HTDIUXDHDUJVIR-UHFFFAOYSA-N -1 3 394.265 3.844 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](c3ccccc3)N(C)C)nc(=O)c2c1C ZINC000780087485 921959359 /nfs/dbraw/zinc/95/93/59/921959359.db2.gz CHRCRWJDJHWXPW-MLGOLLRUSA-N -1 3 385.489 3.921 20 0 GHADHM C[C@H]1CN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)CCc2ccccc21 ZINC000902324178 922088923 /nfs/dbraw/zinc/08/89/23/922088923.db2.gz CLGCIRGMARSKJJ-KRWDZBQOSA-N -1 3 375.472 3.797 20 0 GHADHM COc1ccccc1C[C@H](C)N(C)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902518003 922251962 /nfs/dbraw/zinc/25/19/62/922251962.db2.gz YPYWMTHRIOLJTQ-INIZCTEOSA-N -1 3 379.460 3.642 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC3C[C@H]4CC[C@@H](C3)S4)cc2)cc(=O)[n-]1 ZINC000902865657 922570299 /nfs/dbraw/zinc/57/02/99/922570299.db2.gz OFYQAEIHFGRKBE-FUCXHRTASA-N -1 3 384.505 3.953 20 0 GHADHM O=C([N-]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902969743 922663964 /nfs/dbraw/zinc/66/39/64/922663964.db2.gz IFRMGGCCJGAYBU-NGZCFLSTSA-N -1 3 396.743 3.553 20 0 GHADHM Cc1cccc2nc(C3CCN(C(=O)c4cc(=O)c5ccccc5[n-]4)CC3)oc21 ZINC000368822808 922896951 /nfs/dbraw/zinc/89/69/51/922896951.db2.gz GPZOWHJHYWKVQP-UHFFFAOYSA-N -1 3 387.439 3.998 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN(Cc3ccc(C(=O)[O-])s3)CC2)c1 ZINC000903686796 923201051 /nfs/dbraw/zinc/20/10/51/923201051.db2.gz SZJRWKIMYNRUSR-UHFFFAOYSA-N -1 3 379.453 3.924 20 0 GHADHM COc1cc(CN(C)C2CCC(OC)CC2)c(Br)cc1C(=O)[O-] ZINC000903891860 923373620 /nfs/dbraw/zinc/37/36/20/923373620.db2.gz TVMMEWMMZCJLRN-UHFFFAOYSA-N -1 3 386.286 3.545 20 0 GHADHM Cc1csc(C[C@H]2CCN(Cc3ccc(C(=O)[O-])cc3Br)C2)n1 ZINC000903935756 923411985 /nfs/dbraw/zinc/41/19/85/923411985.db2.gz NQRHSFBIPVALSI-GFCCVEGCSA-N -1 3 395.322 3.977 20 0 GHADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000677912054 924545292 /nfs/dbraw/zinc/54/52/92/924545292.db2.gz LYUZFJMDULPGNK-UHFFFAOYSA-N -1 3 390.852 3.587 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000678172803 924647622 /nfs/dbraw/zinc/64/76/22/924647622.db2.gz KXYDOXAKINQSAF-UHFFFAOYSA-N -1 3 396.821 3.605 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000679631973 925203184 /nfs/dbraw/zinc/20/31/84/925203184.db2.gz NQLCQZWLVAHLMB-UHFFFAOYSA-N -1 3 387.233 3.540 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)cc2)c(C)c1F ZINC000679924647 925309348 /nfs/dbraw/zinc/30/93/48/925309348.db2.gz SGAPZSNWRJZXIG-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000680502042 925496796 /nfs/dbraw/zinc/49/67/96/925496796.db2.gz DBEDQKGEZWPHRU-CQSZACIVSA-N -1 3 379.787 3.931 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C4CCCC3CCC4)cs2)c1 ZINC000680637329 925548625 /nfs/dbraw/zinc/54/86/25/925548625.db2.gz XCCQLSFQIOTZEL-UHFFFAOYSA-N -1 3 399.516 3.886 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000410718789 925803257 /nfs/dbraw/zinc/80/32/57/925803257.db2.gz MHUXJZOEEUNZQQ-VIFPVBQESA-N -1 3 398.337 3.506 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1nc(Cl)sc1Cl ZINC001137446096 925824430 /nfs/dbraw/zinc/82/44/30/925824430.db2.gz FZMKLYHAMVHDFO-UHFFFAOYSA-N -1 3 382.066 3.848 20 0 GHADHM O=c1[n-]c(SCCc2cccnc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000681646840 925866778 /nfs/dbraw/zinc/86/67/78/925866778.db2.gz NIPJQBGSODVFOP-UHFFFAOYSA-N -1 3 383.864 3.904 20 0 GHADHM CCN1C[C@H](CN(C)C(=O)CCCc2ccc([O-])c(F)c2)Oc2ccccc21 ZINC000682446488 926118433 /nfs/dbraw/zinc/11/84/33/926118433.db2.gz XRTPOIPFPKVFBD-KRWDZBQOSA-N -1 3 386.467 3.600 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000411289889 926283904 /nfs/dbraw/zinc/28/39/04/926283904.db2.gz HQGMCNASSQBBID-UHFFFAOYSA-N -1 3 391.353 3.936 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(F)(F)c3ccc(F)cc3)c2)n1 ZINC000148052817 926369143 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CCCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)C(=O)OCC ZINC000411649061 926606535 /nfs/dbraw/zinc/60/65/35/926606535.db2.gz OUMMBCGMOQEWTM-GFCCVEGCSA-N -1 3 389.477 3.821 20 0 GHADHM Cc1ccc(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000726377669 926645556 /nfs/dbraw/zinc/64/55/56/926645556.db2.gz ARXXSXNDKHUDBL-UHFFFAOYSA-N -1 3 382.847 3.996 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)N[C@@H](C)c2cccs2)cc1OC ZINC000726471505 926690586 /nfs/dbraw/zinc/69/05/86/926690586.db2.gz OLDQTEBBIJXBBZ-NSHDSACASA-N -1 3 399.563 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc4c(cc3[O-])OCO4)ccc21 ZINC000726623429 926770120 /nfs/dbraw/zinc/77/01/20/926770120.db2.gz DKZPUXJAOKJHGO-UHFFFAOYSA-N -1 3 398.415 3.671 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3OCCc4ccccc43)nc(=O)c2c1C ZINC000750055991 927409339 /nfs/dbraw/zinc/40/93/39/927409339.db2.gz PSYHIRYKEZDLCG-BZNIZROVSA-N -1 3 384.457 3.932 20 0 GHADHM O=c1cc(CSc2nc(O)cc(=O)n2C2CCCC2)nc(-c2ccccc2)[n-]1 ZINC000412989481 928079238 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GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccco2)n1 ZINC000469805672 930172969 /nfs/dbraw/zinc/17/29/69/930172969.db2.gz FEEJRNDZYTVLAU-ZDUSSCGKSA-N -1 3 394.456 3.695 20 0 GHADHM C[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000759115738 930279061 /nfs/dbraw/zinc/27/90/61/930279061.db2.gz HCOKWXLDRHTDKP-FHNWIRHTSA-N -1 3 380.419 3.576 20 0 GHADHM CC1CCN([C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)c2cccs2)CC1 ZINC000780344968 930487987 /nfs/dbraw/zinc/48/79/87/930487987.db2.gz AQRNIXFRSPUTHM-MRXNPFEDSA-N -1 3 393.553 3.608 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(O)c(C)c3)cs2)c1 ZINC000546871457 930501638 /nfs/dbraw/zinc/50/16/38/930501638.db2.gz JZHRIVJSJRAFCI-UHFFFAOYSA-N -1 3 397.456 3.605 20 0 GHADHM COc1cc(C(=O)NCCn2c3ccccc3c3ccccc32)cc(OC)c1[O-] ZINC000547262356 930859411 /nfs/dbraw/zinc/85/94/11/930859411.db2.gz TVUOTTKUBDSXQF-UHFFFAOYSA-N -1 3 390.439 3.947 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3c[nH]nc3-c3ccsc3)c2)n1 ZINC000781490029 930866876 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20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000560283859 933183827 /nfs/dbraw/zinc/18/38/27/933183827.db2.gz YCAREEPMUMLUHB-UHFFFAOYSA-N -1 3 382.407 3.890 20 0 GHADHM Cc1cc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)o1 ZINC001115905501 933238702 /nfs/dbraw/zinc/23/87/02/933238702.db2.gz XHGLXSLASLJBHH-LBPRGKRZSA-N -1 3 396.484 3.603 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001115905428 933238930 /nfs/dbraw/zinc/23/89/30/933238930.db2.gz UEMTXTQDYRJHJB-OAHLLOKOSA-N -1 3 394.500 3.791 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000560439954 933260094 /nfs/dbraw/zinc/26/00/94/933260094.db2.gz RKJHEYRKYGMSNC-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1cccc(O)c1 ZINC001116386997 933528284 /nfs/dbraw/zinc/52/82/84/933528284.db2.gz SRJRHWSBIXPHHD-OAHLLOKOSA-N -1 3 383.778 3.558 20 0 GHADHM CCc1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000561091335 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3 392.499 3.634 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(C)cc1 ZINC001124707609 935450009 /nfs/dbraw/zinc/45/00/09/935450009.db2.gz JVCIBDNSAHNMMD-INIZCTEOSA-N -1 3 383.341 3.786 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cn2cc(Br)cn2)s1 ZINC001137581777 935600831 /nfs/dbraw/zinc/60/08/31/935600831.db2.gz DVXKQMIUFKTLJH-UHFFFAOYSA-N -1 3 396.241 3.852 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cc(Br)n[n-]2)cc1 ZINC000828752091 935701940 /nfs/dbraw/zinc/70/19/40/935701940.db2.gz UTKBLHJRAJQGDG-UHFFFAOYSA-N -1 3 382.214 3.738 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cc(Br)[n-]n2)cc1 ZINC000828752091 935701944 /nfs/dbraw/zinc/70/19/44/935701944.db2.gz UTKBLHJRAJQGDG-UHFFFAOYSA-N -1 3 382.214 3.738 20 0 GHADHM CC(C)Oc1cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccn1 ZINC001137722041 935748070 /nfs/dbraw/zinc/74/80/70/935748070.db2.gz UQTXCNWMCMFIQT-UHFFFAOYSA-N -1 3 392.481 3.602 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c1 ZINC000829120194 935770143 /nfs/dbraw/zinc/77/01/43/935770143.db2.gz QQTDFIVMLVWAJZ-UKRRQHHQSA-N -1 3 397.475 3.839 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3cnn4ccccc34)nc(=O)c2c1C ZINC000829548587 935825904 /nfs/dbraw/zinc/82/59/04/935825904.db2.gz JYJFMNGYTHCLCX-NSHDSACASA-N -1 3 382.445 3.508 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c([O-])c1 ZINC001137937596 935880383 /nfs/dbraw/zinc/88/03/83/935880383.db2.gz AMZNYASYTKFWKB-UHFFFAOYSA-N -1 3 391.427 3.984 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)c([O-])c1 ZINC001137938145 935880522 /nfs/dbraw/zinc/88/05/22/935880522.db2.gz XEFHTIZYZOHJGP-UHFFFAOYSA-N -1 3 391.383 3.958 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000830051257 935894287 /nfs/dbraw/zinc/89/42/87/935894287.db2.gz DDAXWQTXQFZLSS-UONOGXRCSA-N -1 3 394.537 3.880 20 0 GHADHM O=C([N-][C@@H](c1ncccn1)C1CC1)C(F)(F)c1cccc(Br)c1 ZINC000830142800 935906077 /nfs/dbraw/zinc/90/60/77/935906077.db2.gz ZIWPHWBZPIYQSG-CYBMUJFWSA-N -1 3 382.208 3.598 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N2CCc3c4ccccc4[nH]c3C2)c1 ZINC001573281122 946673374 /nfs/dbraw/zinc/67/33/74/946673374.db2.gz ZVJFVAHBUQGXDJ-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N2CCc3c4ccccc4[nH]c3C2)c1 ZINC001573281122 946673382 /nfs/dbraw/zinc/67/33/82/946673382.db2.gz ZVJFVAHBUQGXDJ-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM CC(=O)c1cc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001573552674 946878370 /nfs/dbraw/zinc/87/83/70/946878370.db2.gz AEYIFXUMQOQDSL-UHFFFAOYSA-N -1 3 380.301 3.806 20 0 GHADHM CC(=O)c1cc(F)ccc1OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001573552674 946878382 /nfs/dbraw/zinc/87/83/82/946878382.db2.gz AEYIFXUMQOQDSL-UHFFFAOYSA-N -1 3 380.301 3.806 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(Br)cc1C ZINC001573556105 946922726 /nfs/dbraw/zinc/92/27/26/946922726.db2.gz WDSBTBDXEVMQBN-UHFFFAOYSA-N -1 3 387.237 3.719 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(Br)cc1C ZINC001573556105 946922728 /nfs/dbraw/zinc/92/27/28/946922728.db2.gz WDSBTBDXEVMQBN-UHFFFAOYSA-N -1 3 387.237 3.719 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573363037 947707863 /nfs/dbraw/zinc/70/78/63/947707863.db2.gz ATSXKDVNUJTIKM-AAXJRCCMSA-N -1 3 395.507 3.539 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573363037 947707880 /nfs/dbraw/zinc/70/78/80/947707880.db2.gz ATSXKDVNUJTIKM-AAXJRCCMSA-N -1 3 395.507 3.539 20 0 GHADHM CC(C)(C)Sc1c(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1F ZINC001158711553 948485684 /nfs/dbraw/zinc/48/56/84/948485684.db2.gz QKKWMZJWLFGPCC-UHFFFAOYSA-N -1 3 390.419 3.683 20 0 GHADHM CC(C)(C)Sc1c(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1F ZINC001158711553 948485691 /nfs/dbraw/zinc/48/56/91/948485691.db2.gz QKKWMZJWLFGPCC-UHFFFAOYSA-N -1 3 390.419 3.683 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cc(F)cc1Br ZINC001442662086 948520362 /nfs/dbraw/zinc/52/03/62/948520362.db2.gz XNXXWOVERWMCHH-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cc(F)cc1Br ZINC001442662086 948520368 /nfs/dbraw/zinc/52/03/68/948520368.db2.gz XNXXWOVERWMCHH-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC001574089945 948972309 /nfs/dbraw/zinc/97/23/09/948972309.db2.gz JLJCUYUCKBLXFL-VQIMIIECSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC001574089945 948972320 /nfs/dbraw/zinc/97/23/20/948972320.db2.gz JLJCUYUCKBLXFL-VQIMIIECSA-N -1 3 385.512 3.555 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001575501794 949013930 /nfs/dbraw/zinc/01/39/30/949013930.db2.gz FUIWCKZECUJKPO-OCBCSQNSSA-N -1 3 381.867 3.843 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001575501794 949013952 /nfs/dbraw/zinc/01/39/52/949013952.db2.gz FUIWCKZECUJKPO-OCBCSQNSSA-N -1 3 381.867 3.843 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2ccc(Br)cc2C1 ZINC001575510207 949126181 /nfs/dbraw/zinc/12/61/81/949126181.db2.gz GXBDVOAPNQMRKO-GFCCVEGCSA-N -1 3 384.281 3.749 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001575512866 949145373 /nfs/dbraw/zinc/14/53/73/949145373.db2.gz PQZKTLWYTNQBLE-SNVBAGLBSA-N -1 3 393.344 3.858 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001575512866 949145390 /nfs/dbraw/zinc/14/53/90/949145390.db2.gz PQZKTLWYTNQBLE-SNVBAGLBSA-N -1 3 393.344 3.858 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC001575515024 949181088 /nfs/dbraw/zinc/18/10/88/949181088.db2.gz FEYDHQVZEVENOJ-INIZCTEOSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001575515024 949181092 /nfs/dbraw/zinc/18/10/92/949181092.db2.gz FEYDHQVZEVENOJ-INIZCTEOSA-N -1 3 384.443 3.599 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573788491 949194938 /nfs/dbraw/zinc/19/49/38/949194938.db2.gz JSRWJBFSNXWPDL-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573788491 949194953 /nfs/dbraw/zinc/19/49/53/949194953.db2.gz JSRWJBFSNXWPDL-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001575857881 949276440 /nfs/dbraw/zinc/27/64/40/949276440.db2.gz WZEBMGDKBNKRTO-DYVFJYSZSA-N -1 3 388.244 3.910 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001575857881 949276463 /nfs/dbraw/zinc/27/64/63/949276463.db2.gz WZEBMGDKBNKRTO-DYVFJYSZSA-N -1 3 388.244 3.910 20 0 GHADHM CC1=C(C)C[C@](C)(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1 ZINC001575860032 949285267 /nfs/dbraw/zinc/28/52/67/949285267.db2.gz BGPHEELYTQAXOQ-HXUWFJFHSA-N -1 3 385.537 3.743 20 0 GHADHM CC1=C(C)C[C@](C)(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC001575860032 949285291 /nfs/dbraw/zinc/28/52/91/949285291.db2.gz BGPHEELYTQAXOQ-HXUWFJFHSA-N -1 3 385.537 3.743 20 0 GHADHM CC1=C(C)C[C@@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001575860009 949285705 /nfs/dbraw/zinc/28/57/05/949285705.db2.gz ANOWQCGCDTUUBU-NRFANRHFSA-N -1 3 391.479 3.577 20 0 GHADHM CC1=C(C)C[C@@](C)(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001575860009 949285730 /nfs/dbraw/zinc/28/57/30/949285730.db2.gz ANOWQCGCDTUUBU-NRFANRHFSA-N -1 3 391.479 3.577 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001576157194 949474069 /nfs/dbraw/zinc/47/40/69/949474069.db2.gz ZCMURTGEZIQGKA-KDOFPFPSSA-N -1 3 376.464 3.919 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1cscc1-c1nnn[n-]1 ZINC001575626029 950706193 /nfs/dbraw/zinc/70/61/93/950706193.db2.gz WHDRRMKEFKXUCW-AWEZNQCLSA-N -1 3 387.896 3.990 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1cscc1-c1nn[n-]n1 ZINC001575626029 950706205 /nfs/dbraw/zinc/70/62/05/950706205.db2.gz WHDRRMKEFKXUCW-AWEZNQCLSA-N -1 3 387.896 3.990 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)C3Cc4ccccc4C3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576216875 950746259 /nfs/dbraw/zinc/74/62/59/950746259.db2.gz JUPOQOFRLJSCKJ-NWDGAFQWSA-N -1 3 393.516 3.968 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)C3Cc4ccccc4C3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576216875 950746280 /nfs/dbraw/zinc/74/62/80/950746280.db2.gz JUPOQOFRLJSCKJ-NWDGAFQWSA-N -1 3 393.516 3.968 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576216938 950746545 /nfs/dbraw/zinc/74/65/45/950746545.db2.gz KFNRQAFKJSOEMQ-UVLXDEKHSA-N -1 3 394.504 3.751 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576216938 950746554 /nfs/dbraw/zinc/74/65/54/950746554.db2.gz KFNRQAFKJSOEMQ-UVLXDEKHSA-N -1 3 394.504 3.751 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC001573881224 950747704 /nfs/dbraw/zinc/74/77/04/950747704.db2.gz ADFGAIOGILBRBP-UHFFFAOYSA-N -1 3 382.443 3.668 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001573881224 950747719 /nfs/dbraw/zinc/74/77/19/950747719.db2.gz ADFGAIOGILBRBP-UHFFFAOYSA-N -1 3 382.443 3.668 20 0 GHADHM CC1(C)CC(C)(C)c2cc(NC(=O)COc3ccccc3-c3nnn[n-]3)ccc21 ZINC001575631036 950770716 /nfs/dbraw/zinc/77/07/16/950770716.db2.gz ISJBZYVVKGSCIF-UHFFFAOYSA-N -1 3 391.475 3.843 20 0 GHADHM CC1(C)CC(C)(C)c2cc(NC(=O)COc3ccccc3-c3nn[n-]n3)ccc21 ZINC001575631036 950770729 /nfs/dbraw/zinc/77/07/29/950770729.db2.gz ISJBZYVVKGSCIF-UHFFFAOYSA-N -1 3 391.475 3.843 20 0 GHADHM CC(C)CCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574195267 950974813 /nfs/dbraw/zinc/97/48/13/950974813.db2.gz LOTRHZUZFMZUOU-UHFFFAOYSA-N -1 3 380.452 3.610 20 0 GHADHM CC(C)CCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574195267 950974830 /nfs/dbraw/zinc/97/48/30/950974830.db2.gz LOTRHZUZFMZUOU-UHFFFAOYSA-N -1 3 380.452 3.610 20 0 GHADHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001575019173 951035136 /nfs/dbraw/zinc/03/51/36/951035136.db2.gz SNHNBZXBHVCRAS-CYBMUJFWSA-N -1 3 399.882 3.841 20 0 GHADHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001575019173 951035152 /nfs/dbraw/zinc/03/51/52/951035152.db2.gz SNHNBZXBHVCRAS-CYBMUJFWSA-N -1 3 399.882 3.841 20 0 GHADHM CCOc1ccc([C@@H]2C[C@H]2NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001592816025 951369227 /nfs/dbraw/zinc/36/92/27/951369227.db2.gz QTTGSKKZAYUKTM-FFZOFVMBSA-N -1 3 384.476 3.625 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001575185144 952429091 /nfs/dbraw/zinc/42/90/91/952429091.db2.gz LUHSRWCJMYXMSR-SNVBAGLBSA-N -1 3 391.262 3.926 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001575185144 952429092 /nfs/dbraw/zinc/42/90/92/952429092.db2.gz LUHSRWCJMYXMSR-SNVBAGLBSA-N -1 3 391.262 3.926 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575185747 952435414 /nfs/dbraw/zinc/43/54/14/952435414.db2.gz VLXZHMGSALWAAR-HNNXBMFYSA-N -1 3 395.532 3.732 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575185747 952435419 /nfs/dbraw/zinc/43/54/19/952435419.db2.gz VLXZHMGSALWAAR-HNNXBMFYSA-N -1 3 395.532 3.732 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(OC(F)(F)F)c1 ZINC001575187382 952440800 /nfs/dbraw/zinc/44/08/00/952440800.db2.gz BYHJWBYOYJYOTI-NSHDSACASA-N -1 3 392.337 3.550 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(OC(F)(F)F)c1 ZINC001575187382 952440801 /nfs/dbraw/zinc/44/08/01/952440801.db2.gz BYHJWBYOYJYOTI-NSHDSACASA-N -1 3 392.337 3.550 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC001575188128 952446353 /nfs/dbraw/zinc/44/63/53/952446353.db2.gz HFYCSGGAUADMKY-LLVKDONJSA-N -1 3 389.431 3.999 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC001575188128 952446357 /nfs/dbraw/zinc/44/63/57/952446357.db2.gz HFYCSGGAUADMKY-LLVKDONJSA-N -1 3 389.431 3.999 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001575191545 952467554 /nfs/dbraw/zinc/46/75/54/952467554.db2.gz XSVAZMVCPWTBRJ-FOIQADDNSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001575191545 952467556 /nfs/dbraw/zinc/46/75/56/952467556.db2.gz XSVAZMVCPWTBRJ-FOIQADDNSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573362831 958601625 /nfs/dbraw/zinc/60/16/25/958601625.db2.gz GAMVPDFNJXMWCT-GDAAHCPNSA-N -1 3 398.528 3.600 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573539533 959185957 /nfs/dbraw/zinc/18/59/57/959185957.db2.gz QGWHVDMHAQVGJY-FMAYLGMYSA-N -1 3 384.476 3.609 20 0 GHADHM O=C(CCCC1CCCCC1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001345729980 962275527 /nfs/dbraw/zinc/27/55/27/962275527.db2.gz RTUGNHVFDNUJHM-QHCPKHFHSA-N -1 3 386.536 3.973 20 0 GHADHM O=C([O-])CC[C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001356625916 962744536 /nfs/dbraw/zinc/74/45/36/962744536.db2.gz BDCWZZJNMWWKDD-QUCCMNQESA-N -1 3 387.524 3.500 20 0 GHADHM O=C([O-])[C@]1(NC(=O)/C=C\c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001526687526 962876147 /nfs/dbraw/zinc/87/61/47/962876147.db2.gz GEPJIEWTDFHVMI-RYGYDFEPSA-N -1 3 398.890 3.589 20 0 GHADHM C[C@H](N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314840790 963819647 /nfs/dbraw/zinc/81/96/47/963819647.db2.gz VGWKTMUEDJUKHY-RWMBFGLXSA-N -1 3 383.514 3.575 20 0 GHADHM COc1ccc2cc(CC[C@@H](C)Oc3[n-]c(=O)nc4cnncc43)ccc2c1 ZINC001226691455 1032079096 /nfs/dbraw/zinc/07/90/96/1032079096.db2.gz YYDYHRZXANSDJV-CYBMUJFWSA-N -1 3 376.416 3.687 20 0 GHADHM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1oncc1C(=O)[O-] ZINC000569818180 974700237 /nfs/dbraw/zinc/70/02/37/974700237.db2.gz NHNKXDZEBALLTA-UHFFFAOYSA-N -1 3 386.427 3.747 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001591747624 975795002 /nfs/dbraw/zinc/79/50/02/975795002.db2.gz UMXUJHCORJJCGN-KRWDZBQOSA-N -1 3 397.475 3.568 20 0 GHADHM CC(C)c1[nH]c(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1C(=O)[O-] ZINC001591913034 976355868 /nfs/dbraw/zinc/35/58/68/976355868.db2.gz WXCLIWVTGKGBFF-CABCVRRESA-N -1 3 393.528 3.819 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001625915893 1014372551 /nfs/dbraw/zinc/37/25/51/1014372551.db2.gz HWHYOFQZNDVCFZ-OAQYLSRUSA-N -1 3 391.475 3.677 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001625915893 1014372561 /nfs/dbraw/zinc/37/25/61/1014372561.db2.gz HWHYOFQZNDVCFZ-OAQYLSRUSA-N -1 3 391.475 3.677 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625912278 1014369819 /nfs/dbraw/zinc/36/98/19/1014369819.db2.gz ZNLFKHOUSADZDU-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625912278 1014369832 /nfs/dbraw/zinc/36/98/32/1014369832.db2.gz ZNLFKHOUSADZDU-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC000739483311 978642780 /nfs/dbraw/zinc/64/27/80/978642780.db2.gz DCSXQMJEFCZNRU-FQEVSTJZSA-N -1 3 378.403 3.994 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC000739483312 978642858 /nfs/dbraw/zinc/64/28/58/978642858.db2.gz DCSXQMJEFCZNRU-HXUWFJFHSA-N -1 3 378.403 3.994 20 0 GHADHM C[C@](Cc1ccc(F)cc1)(NCc1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC001592853729 979646653 /nfs/dbraw/zinc/64/66/53/979646653.db2.gz IKLAIDYUVXUDDY-HSZRJFAPSA-N -1 3 393.462 3.676 20 0 GHADHM CCN(CC)c1ccc2cc(C(=O)Nc3cc([O-])c(Cl)cn3)c(=O)oc2c1 ZINC001625977938 1014612733 /nfs/dbraw/zinc/61/27/33/1014612733.db2.gz UFULGCYEZGARLQ-UHFFFAOYSA-N -1 3 387.823 3.646 20 0 GHADHM C[C@@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001593025782 980283899 /nfs/dbraw/zinc/28/38/99/980283899.db2.gz JQAAPCYCHCKIDI-UZLBHIALSA-N -1 3 382.504 3.840 20 0 GHADHM CC[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(Cl)c1 ZINC001595284281 980354990 /nfs/dbraw/zinc/35/49/90/980354990.db2.gz RPXFIIBCDPXLQO-HUUCEWRRSA-N -1 3 378.881 3.946 20 0 GHADHM CC[C@H](c1ccc(Br)cc1)N1CCN(CC2(CC(=O)[O-])CC2)CC1 ZINC001595359448 980741550 /nfs/dbraw/zinc/74/15/50/980741550.db2.gz AYLQLCSTNXAUJB-QGZVFWFLSA-N -1 3 395.341 3.773 20 0 GHADHM CC[C@H](c1ccc(Br)cc1)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001595360105 980748004 /nfs/dbraw/zinc/74/80/04/980748004.db2.gz PXGSRSVRRIYZKD-OAHLLOKOSA-N -1 3 381.270 3.596 20 0 GHADHM CC[C@H](c1ccccc1)N1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001595364617 980796117 /nfs/dbraw/zinc/79/61/17/980796117.db2.gz UJQJJSKPHLAMLZ-HXUWFJFHSA-N -1 3 378.476 3.530 20 0 GHADHM Cc1cc(C)c(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)c1Br ZINC001626458152 1014768401 /nfs/dbraw/zinc/76/84/01/1014768401.db2.gz NZOWISNMVSIRGH-UHFFFAOYSA-N -1 3 389.253 3.934 20 0 GHADHM CCCCCC[C@](O)(CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001595697184 982238033 /nfs/dbraw/zinc/23/80/33/982238033.db2.gz OHFNVEBMNUMIDP-UTKZUKDTSA-N -1 3 396.959 3.805 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001595830860 982719226 /nfs/dbraw/zinc/71/92/26/982719226.db2.gz RDQXSGPFNFVEIW-KRWDZBQOSA-N -1 3 392.546 3.952 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001595837030 982745626 /nfs/dbraw/zinc/74/56/26/982745626.db2.gz QUVPWYYJCAYSSU-JFIYKMOQSA-N -1 3 380.916 3.730 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccco1 ZINC001594994314 982872978 /nfs/dbraw/zinc/87/29/78/982872978.db2.gz LBCNMDBMSOUFJQ-SWLSCSKDSA-N -1 3 391.493 3.951 20 0 GHADHM CCN(C(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC001596142723 983494803 /nfs/dbraw/zinc/49/48/03/983494803.db2.gz DPUISODVOUVUQK-MAODMQOUSA-N -1 3 398.478 3.535 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001596254100 983660662 /nfs/dbraw/zinc/66/06/62/983660662.db2.gz APPRKMCTIDZHPD-AWEZNQCLSA-N -1 3 398.381 3.810 20 0 GHADHM COc1cccc(OC)c1Oc1ccc(CNC(=O)c2c(C)cccc2[O-])cn1 ZINC001626125079 1015020567 /nfs/dbraw/zinc/02/05/67/1015020567.db2.gz UNTZGCBYIDZHKW-UHFFFAOYSA-N -1 3 394.427 3.835 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001588956513 984705786 /nfs/dbraw/zinc/70/57/86/984705786.db2.gz RKUCHNMQJMQEFR-DPEOBCRWSA-N -1 3 398.547 3.995 20 0 GHADHM C[C@@H]1CN(Cc2ccc(CN(C)Cc3cc(C(=O)[O-])cs3)cc2)C[C@H](C)O1 ZINC001599929514 985282278 /nfs/dbraw/zinc/28/22/78/985282278.db2.gz ZWAUTOGXDROKMH-IYBDPMFKSA-N -1 3 388.533 3.688 20 0 GHADHM CC(=O)Nc1ccc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1 ZINC001589191224 985598045 /nfs/dbraw/zinc/59/80/45/985598045.db2.gz BWRXVFKXENIQOF-UHFFFAOYSA-N -1 3 381.457 3.757 20 0 GHADHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594508401 985748128 /nfs/dbraw/zinc/74/81/28/985748128.db2.gz QXJJYMNNBZJRFZ-XHDPSFHLSA-N -1 3 397.928 3.511 20 0 GHADHM Cc1c(Br)cccc1CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001599972373 986029069 /nfs/dbraw/zinc/02/90/69/986029069.db2.gz KSDWTXHMSDVYGZ-QGZVFWFLSA-N -1 3 376.250 3.608 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001594546047 986214779 /nfs/dbraw/zinc/21/47/79/986214779.db2.gz YERQJMHTCAWRCM-ROUUACIJSA-N -1 3 395.503 3.861 20 0 GHADHM CCOc1cc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c(F)cc1OC ZINC001597035560 986471838 /nfs/dbraw/zinc/47/18/38/986471838.db2.gz KCWGJKTZBSTTBT-QGZVFWFLSA-N -1 3 387.407 3.765 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589431700 986732382 /nfs/dbraw/zinc/73/23/82/986732382.db2.gz KWHNOQOLYPSIFY-OLZOCXBDSA-N -1 3 397.313 3.599 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCC1 ZINC001589486657 987032290 /nfs/dbraw/zinc/03/22/90/987032290.db2.gz IZQHZBJNJRUUBG-GFCCVEGCSA-N -1 3 383.473 3.892 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)CN1CCC[C@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745389 988037891 /nfs/dbraw/zinc/03/78/91/988037891.db2.gz IBDBADYEKJZNPI-UWJYYQICSA-N -1 3 378.488 3.606 20 0 GHADHM CCc1ccc2c(c1)[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CCO2 ZINC001597569159 988330749 /nfs/dbraw/zinc/33/07/49/988330749.db2.gz RFEPGHMGVUYDMP-IFXJQAMLSA-N -1 3 382.460 3.778 20 0 GHADHM CCc1ccc2c(CN[C@H](C)c3ccc(OCC(=O)[O-])cc3)cc(=O)oc2c1 ZINC001597569377 988334158 /nfs/dbraw/zinc/33/41/58/988334158.db2.gz QFSBFLHVFKHDBX-CQSZACIVSA-N -1 3 381.428 3.670 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CN(C/C=C/c2ccc(F)cc2)CC12CC(C(=O)[O-])C2 ZINC001589865819 988462233 /nfs/dbraw/zinc/46/22/33/988462233.db2.gz HIDXQOJSXDSZNG-LYTFXEBLSA-N -1 3 389.467 3.593 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(C(=O)[O-])c2Cl)C1(C)C ZINC001589985716 988885022 /nfs/dbraw/zinc/88/50/22/988885022.db2.gz UXFNVKMJQQQANY-CQSZACIVSA-N -1 3 382.888 3.916 20 0 GHADHM CCc1oc(CN2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597797328 989359110 /nfs/dbraw/zinc/35/91/10/989359110.db2.gz XOJVGRQBTJFHDY-KGLIPLIRSA-N -1 3 380.485 3.523 20 0 GHADHM CCc1oc(CN(Cc2cccc(OC)c2)C2CCC(O)CC2)cc1C(=O)[O-] ZINC001597797353 989361957 /nfs/dbraw/zinc/36/19/57/989361957.db2.gz ZACRPRWZAUADSF-UHFFFAOYSA-N -1 3 387.476 3.855 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H](NCc2oc(Br)cc2C(=O)[O-])C12CCC2 ZINC001590379375 989887982 /nfs/dbraw/zinc/88/79/82/989887982.db2.gz QCKLAGJYFLRPDK-OLZOCXBDSA-N -1 3 386.286 3.956 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC001598067489 990359726 /nfs/dbraw/zinc/35/97/26/990359726.db2.gz XHVWGYIGKMMCHY-GOSISDBHSA-N -1 3 388.508 3.634 20 0 GHADHM CCCOc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000468319353 1015582167 /nfs/dbraw/zinc/58/21/67/1015582167.db2.gz JUHANFISDLOBCV-UHFFFAOYSA-N -1 3 375.440 3.968 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001590981619 991143324 /nfs/dbraw/zinc/14/33/24/991143324.db2.gz YYSOYXJVDMFSEX-OAQYLSRUSA-N -1 3 395.503 3.567 20 0 GHADHM CN(C[C@@H](O)c1ccc(F)cc1Cl)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598437592 991850244 /nfs/dbraw/zinc/85/02/44/991850244.db2.gz VLUUEYXBLVUZIG-GDBMZVCRSA-N -1 3 391.748 3.688 20 0 GHADHM CC(C)C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccs1 ZINC001591182811 991980404 /nfs/dbraw/zinc/98/04/04/991980404.db2.gz ACDXLCHQCDUBDD-ZIAGYGMSSA-N -1 3 378.519 3.990 20 0 GHADHM CN(CCC1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1)C(=O)OC(C)(C)C ZINC001598472852 992054343 /nfs/dbraw/zinc/05/43/43/992054343.db2.gz WGOAFIFILWXWNM-FPLPWBNLSA-N -1 3 392.496 3.846 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000468412206 1015683327 /nfs/dbraw/zinc/68/33/27/1015683327.db2.gz MJZCNBNMZOSGKG-UHFFFAOYSA-N -1 3 398.356 3.785 20 0 GHADHM CN(CCCN(C)[C@H](C(=O)[O-])c1ccccc1Br)Cc1ccco1 ZINC001598479224 992121295 /nfs/dbraw/zinc/12/12/95/992121295.db2.gz VESGWNCDNWHYBC-KRWDZBQOSA-N -1 3 395.297 3.622 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])c(Br)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001598509392 992550002 /nfs/dbraw/zinc/55/00/02/992550002.db2.gz WDBDLFKLPYRXTG-MRXNPFEDSA-N -1 3 398.684 3.966 20 0 GHADHM CN(c1ccccc1)[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001598544163 992928483 /nfs/dbraw/zinc/92/84/83/992928483.db2.gz GCGBDBWUSYGMAR-KRWDZBQOSA-N -1 3 389.293 3.858 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001593131795 993885778 /nfs/dbraw/zinc/88/57/78/993885778.db2.gz RXRPHSONXMTKMV-TZMCWYRMSA-N -1 3 382.888 3.773 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000545380326 1015824559 /nfs/dbraw/zinc/82/45/59/1015824559.db2.gz WBOVTSMZBANYIV-UHFFFAOYSA-N -1 3 377.448 3.803 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000545380326 1015824567 /nfs/dbraw/zinc/82/45/67/1015824567.db2.gz WBOVTSMZBANYIV-UHFFFAOYSA-N -1 3 377.448 3.803 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000468606679 1015838834 /nfs/dbraw/zinc/83/88/34/1015838834.db2.gz AITXFPKBDSCYHZ-UHFFFAOYSA-N -1 3 389.442 3.858 20 0 GHADHM C[C@@H](N[C@H](C)c1ccc(Cl)c2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593198927 994176817 /nfs/dbraw/zinc/17/68/17/994176817.db2.gz VTXYQYGQZUBPDO-ZIAGYGMSSA-N -1 3 388.895 3.856 20 0 GHADHM COc1ccc2oc([C@H](C)NC[C@H](O)COc3ccc(C(=O)[O-])cc3)c(C)c2c1 ZINC001599638153 994318830 /nfs/dbraw/zinc/31/88/30/994318830.db2.gz WQDGYXAIVSCSDQ-HOCLYGCPSA-N -1 3 399.443 3.539 20 0 GHADHM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(F)c2ccccc21 ZINC001593230403 994362359 /nfs/dbraw/zinc/36/23/59/994362359.db2.gz IBHAIMFBBMNJJO-AWEZNQCLSA-N -1 3 380.419 3.991 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000468647445 1015871723 /nfs/dbraw/zinc/87/17/23/1015871723.db2.gz JJLNMZCYTBWXKP-UHFFFAOYSA-N -1 3 393.462 3.845 20 0 GHADHM C[C@@H](NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(Br)cn1 ZINC001593272111 994609591 /nfs/dbraw/zinc/60/95/91/994609591.db2.gz PEDGINPEGXUUBG-QGQQYVBWSA-N -1 3 391.265 3.672 20 0 GHADHM CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c([O-])c1Br ZINC000545502136 1015953683 /nfs/dbraw/zinc/95/36/83/1015953683.db2.gz ZLCNLEBMFVROJQ-MRXNPFEDSA-N -1 3 377.238 3.750 20 0 GHADHM C[C@@H](Oc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1)C(=O)[O-] ZINC001593614720 995826019 /nfs/dbraw/zinc/82/60/19/995826019.db2.gz DBQQMIJALYYISO-UTKZUKDTSA-N -1 3 395.455 3.867 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1)C(=O)[O-] ZINC001593615969 995841343 /nfs/dbraw/zinc/84/13/43/995841343.db2.gz VCDOGCGSGOOOEL-KRWDZBQOSA-N -1 3 380.488 3.566 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(I)cc1[O-] ZINC001138176441 1016019417 /nfs/dbraw/zinc/01/94/17/1016019417.db2.gz GLSAAPRVRBNRBB-JTQLQIEISA-N -1 3 399.203 3.953 20 0 GHADHM O=C(/C=C/COc1ccccc1)Nc1ccc(I)cc1[O-] ZINC001138176877 1016091662 /nfs/dbraw/zinc/09/16/62/1016091662.db2.gz XFCZDNVYQWJHGM-QPJJXVBHSA-N -1 3 395.196 3.571 20 0 GHADHM CO[C@@H]1CCC[C@@H]([C@H](NCc2cc(-c3ccccc3Cl)on2)C(=O)[O-])C1 ZINC001599108863 997529752 /nfs/dbraw/zinc/52/97/52/997529752.db2.gz MCRGRRSTFASBDV-DFHBCGBQSA-N -1 3 378.856 3.743 20 0 GHADHM CO[C@@H]1CCC[C@@H]([C@@H](NCc2cc(-c3ccccc3Cl)on2)C(=O)[O-])C1 ZINC001599108864 997530009 /nfs/dbraw/zinc/53/00/09/997530009.db2.gz MCRGRRSTFASBDV-RVZJWNSFSA-N -1 3 378.856 3.743 20 0 GHADHM COc1cc(F)c([C@@H](C)NCCOc2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC001599426491 997684813 /nfs/dbraw/zinc/68/48/13/997684813.db2.gz XUUDKBXLGMJYIR-LLVKDONJSA-N -1 3 397.830 3.924 20 0 GHADHM Cn1ccnc1COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468870665 1016146150 /nfs/dbraw/zinc/14/61/50/1016146150.db2.gz FRRLLBFRKOEDKF-UHFFFAOYSA-N -1 3 383.423 3.805 20 0 GHADHM COC(=O)c1cc(CN2CCCSC[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001598932536 997793504 /nfs/dbraw/zinc/79/35/04/997793504.db2.gz KNXJVCIDMZVVHA-LJQANCHMSA-N -1 3 385.485 3.852 20 0 GHADHM C[C@@]1(NCc2ccc(C(=O)[O-])c(Br)c2)CCOc2ccccc21 ZINC001594060153 997829093 /nfs/dbraw/zinc/82/90/93/997829093.db2.gz KVSQKFIAUWVASA-GOSISDBHSA-N -1 3 376.250 3.935 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cc(C)sc1C)CC2 ZINC001599464031 998326991 /nfs/dbraw/zinc/32/69/91/998326991.db2.gz WVWWAWUBTZXBLH-QGZVFWFLSA-N -1 3 375.490 3.956 20 0 GHADHM COC[C@H](N[C@@H](C(=O)[O-])c1ccccc1C)c1cccc(Br)c1 ZINC001599173878 998640399 /nfs/dbraw/zinc/64/03/99/998640399.db2.gz SNDOWNHMOWBFKD-DLBZAZTESA-N -1 3 378.266 3.861 20 0 GHADHM COC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1C)c1cccc(Br)c1 ZINC001599173879 998641387 /nfs/dbraw/zinc/64/13/87/998641387.db2.gz SNDOWNHMOWBFKD-IAGOWNOFSA-N -1 3 378.266 3.861 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001594275194 999064439 /nfs/dbraw/zinc/06/44/39/999064439.db2.gz OXDUVPBNVHBCKP-QBIMZIAESA-N -1 3 378.900 3.530 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2ccsc2C(=O)[O-])[C@H]1C ZINC001594307525 999188252 /nfs/dbraw/zinc/18/82/52/999188252.db2.gz APQAUYBHKJLFMF-VNHYZAJKSA-N -1 3 382.526 3.960 20 0 GHADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ccc(Nc2ccncc2)cc1 ZINC000469042572 1016366232 /nfs/dbraw/zinc/36/62/32/1016366232.db2.gz SMZTXUTYCVAQML-UHFFFAOYSA-N -1 3 379.470 3.501 20 0 GHADHM CCCc1cc(O[C@H]2COCc3cc(Br)cnc32)[n-]c(=S)n1 ZINC001227421675 1032414624 /nfs/dbraw/zinc/41/46/24/1032414624.db2.gz HXKVEIJTALCNRN-LBPRGKRZSA-N -1 3 382.283 3.526 20 0 GHADHM CCOC(=O)[C@@H]1C[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)c2ccccc2O1 ZINC001227582618 1032472107 /nfs/dbraw/zinc/47/21/07/1032472107.db2.gz BWFWYVYCPJIHHF-KBPBESRZSA-N -1 3 383.322 3.640 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2OC2CCN(C(C)C)CC2)c([O-])c1 ZINC001228115494 1032790262 /nfs/dbraw/zinc/79/02/62/1032790262.db2.gz KQCKOUPEQGTTBE-UHFFFAOYSA-N -1 3 399.487 3.892 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[O-] ZINC000569124942 1019467278 /nfs/dbraw/zinc/46/72/78/1019467278.db2.gz ZFXMVAICTOFYCB-GOEBONIOSA-N -1 3 377.444 3.927 20 0 GHADHM Cc1cnn([C@H]2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)c1 ZINC000576996136 1020099694 /nfs/dbraw/zinc/09/96/94/1020099694.db2.gz KZTJQGHCQCHZFI-FQEVSTJZSA-N -1 3 375.472 3.770 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)C1=Cc2ccccc2OC1 ZINC000190320187 1020663819 /nfs/dbraw/zinc/66/38/19/1020663819.db2.gz FZKBYLNYBROWMW-UHFFFAOYSA-N -1 3 395.440 3.789 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000628292362 1020688475 /nfs/dbraw/zinc/68/84/75/1020688475.db2.gz ZKQHOJGCXWAKLT-QEMXTEJRSA-N -1 3 392.499 3.806 20 0 GHADHM CC[C@@H](c1ccc(F)cc1)N1CCC(n2nnc(C(=O)[O-])c2C(F)F)CC1 ZINC000634696354 1020955935 /nfs/dbraw/zinc/95/59/35/1020955935.db2.gz UTNXNXOKBJAQLI-AWEZNQCLSA-N -1 3 382.386 3.841 20 0 GHADHM O=C([O-])CCN(Cc1nc(-c2cccc(Br)c2)c[nH]1)CC1CC1 ZINC000901613110 1021431230 /nfs/dbraw/zinc/43/12/30/1021431230.db2.gz OPSKZBMBFUEQOM-UHFFFAOYSA-N -1 3 378.270 3.526 20 0 GHADHM COc1cccc([O-])c1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001140522320 1021913914 /nfs/dbraw/zinc/91/39/14/1021913914.db2.gz FQNAKQVKNNKUSJ-FQEVSTJZSA-N -1 3 377.440 3.777 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3ccccc3F)CC2)c1Br ZINC001140548083 1021949884 /nfs/dbraw/zinc/94/98/84/1021949884.db2.gz DCSGJKMIHLYCLS-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2Cc1cccc([O-])c1Br ZINC001140550518 1021951893 /nfs/dbraw/zinc/95/18/93/1021951893.db2.gz UWACEBBSYDFCIL-IHRRRGAJSA-N -1 3 397.313 3.642 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2cccc([O-])c2Br)C1 ZINC001140550667 1021952648 /nfs/dbraw/zinc/95/26/48/1021952648.db2.gz XZUWGPYTWBKMTJ-KBPBESRZSA-N -1 3 397.313 3.596 20 0 GHADHM [O-]c1cccc(CN2Cc3cc(Br)cnc3C2)c1Br ZINC001140550842 1021953145 /nfs/dbraw/zinc/95/31/45/1021953145.db2.gz LQQNIDNMVCMAPC-UHFFFAOYSA-N -1 3 384.071 3.828 20 0 GHADHM [O-]c1cccc(CN2CCN(c3ccc(F)cc3F)CC2)c1Br ZINC001140550775 1021953216 /nfs/dbraw/zinc/95/32/16/1021953216.db2.gz HQZIDSNWWJTWBC-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(C)CCC(F)(F)CC2)c1 ZINC000680457730 1022172875 /nfs/dbraw/zinc/17/28/75/1022172875.db2.gz KDKWYRPVWXNUAD-UHFFFAOYSA-N -1 3 393.390 3.639 20 0 GHADHM C[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000681351602 1022279270 /nfs/dbraw/zinc/27/92/70/1022279270.db2.gz ZTPJNWMEZBJQCX-HNNXBMFYSA-N -1 3 390.480 3.889 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000682476006 1022360594 /nfs/dbraw/zinc/36/05/94/1022360594.db2.gz DYKHFLLWNYKXDK-OAHLLOKOSA-N -1 3 392.421 3.775 20 0 GHADHM Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000754439595 1022708208 /nfs/dbraw/zinc/70/82/08/1022708208.db2.gz FIBUULZUSKIXBP-UHFFFAOYSA-N -1 3 388.221 3.607 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(N2CCOC2=O)ccc1F ZINC000754442095 1022709703 /nfs/dbraw/zinc/70/97/03/1022709703.db2.gz REXAQOIRQFMFOT-UHFFFAOYSA-N -1 3 395.184 3.503 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 ZINC000754456339 1022717633 /nfs/dbraw/zinc/71/76/33/1022717633.db2.gz CYMQWDWWOXCKET-UHFFFAOYSA-N -1 3 390.896 3.802 20 0 GHADHM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1nnc2ccccc2c1[O-] ZINC000754479590 1022729914 /nfs/dbraw/zinc/72/99/14/1022729914.db2.gz KPUPUSSLYHGZQH-GFCCVEGCSA-N -1 3 390.226 3.896 20 0 GHADHM [O-]c1ccc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c(F)c1F ZINC001140889078 1022807863 /nfs/dbraw/zinc/80/78/63/1022807863.db2.gz NLMRXBLQUVAMQJ-QGZVFWFLSA-N -1 3 381.463 3.716 20 0 GHADHM CN1C[C@H](c2ccccc2)C2(CCN(Cc3ccc([O-])c(F)c3F)CC2)C1=O ZINC001140890970 1022811195 /nfs/dbraw/zinc/81/11/95/1022811195.db2.gz PXFNTJOWHMETOZ-QGZVFWFLSA-N -1 3 386.442 3.508 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1ccc([O-])c(F)c1F ZINC001140895265 1022822063 /nfs/dbraw/zinc/82/20/63/1022822063.db2.gz OADVQNHXVGWRCL-LQDVMPOASA-N -1 3 382.451 3.938 20 0 GHADHM O=C(CCc1nnc(-c2cc3ccccc3o2)o1)[N-]OCc1ccc(F)cc1 ZINC000754714689 1022853831 /nfs/dbraw/zinc/85/38/31/1022853831.db2.gz UYQXCDIZICTXCY-UHFFFAOYSA-N -1 3 381.363 3.803 20 0 GHADHM CSc1ccccc1CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001156528289 1033085462 /nfs/dbraw/zinc/08/54/62/1033085462.db2.gz FPEQRLQWKXBIJW-UHFFFAOYSA-N -1 3 398.937 3.706 20 0 GHADHM O=C1N(C2CCCC2)CCC12CCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001277331291 1033111316 /nfs/dbraw/zinc/11/13/16/1033111316.db2.gz DSRGWIDKRILFGC-UHFFFAOYSA-N -1 3 398.334 3.851 20 0 GHADHM CCC(CC)(CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])SC ZINC000755428249 1023244431 /nfs/dbraw/zinc/24/44/31/1023244431.db2.gz NQAGSINSGZYNNJ-UHFFFAOYSA-N -1 3 391.493 3.593 20 0 GHADHM Cc1ccc(Sc2ccc(Cl)cc2NC(=O)[N-]OCC(N)=O)c(C)c1 ZINC000755434721 1023247647 /nfs/dbraw/zinc/24/76/47/1023247647.db2.gz OMOOJCHJNKKTCI-UHFFFAOYSA-N -1 3 379.869 3.646 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NC/C=C/c2ccc(F)cc2F)c1OC ZINC000756336764 1023595442 /nfs/dbraw/zinc/59/54/42/1023595442.db2.gz KLFHZANHRVTZLT-LAQIPUCWSA-N -1 3 377.387 3.801 20 0 GHADHM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000756530938 1023701165 /nfs/dbraw/zinc/70/11/65/1023701165.db2.gz VDWUQVOGYJFWJR-OLZOCXBDSA-N -1 3 389.830 3.589 20 0 GHADHM O=C([N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)(F)c1nccs1 ZINC000756537314 1023703325 /nfs/dbraw/zinc/70/33/25/1023703325.db2.gz POLPXCWWLZORGF-SECBINFHSA-N -1 3 392.258 3.937 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000756786423 1023814979 /nfs/dbraw/zinc/81/49/79/1023814979.db2.gz CIAFXYRBWKUKKA-MGPLVRAMSA-N -1 3 387.785 3.818 20 0 GHADHM CCOc1ccc(CC(=O)Nc2ccc(I)cc2[O-])cc1 ZINC001138175453 1024303044 /nfs/dbraw/zinc/30/30/44/1024303044.db2.gz RQHAHSIGXWAYMI-UHFFFAOYSA-N -1 3 397.212 3.577 20 0 GHADHM COC(=O)c1ccc(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC001141255340 1024303817 /nfs/dbraw/zinc/30/38/17/1024303817.db2.gz HKIHFJDVYRCQGQ-UHFFFAOYSA-N -1 3 391.423 3.944 20 0 GHADHM CSc1ccccc1C(=O)Nc1ccc(I)cc1[O-] ZINC001138175603 1024304147 /nfs/dbraw/zinc/30/41/47/1024304147.db2.gz YPNIDWDUCXNALS-UHFFFAOYSA-N -1 3 385.226 3.971 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(I)cc1[O-])c1ccncc1 ZINC001138176668 1024307376 /nfs/dbraw/zinc/30/73/76/1024307376.db2.gz ONPUEGFIPOAGIK-JTQLQIEISA-N -1 3 382.201 3.524 20 0 GHADHM O=C(CCCc1ncc(-c2ccccc2)o1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837432833 1024452969 /nfs/dbraw/zinc/45/29/69/1024452969.db2.gz WTLXNXOPFUFJSV-UHFFFAOYSA-N -1 3 379.416 3.781 20 0 GHADHM CN(C(=O)c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1)c1ccccc1 ZINC001141302250 1024463711 /nfs/dbraw/zinc/46/37/11/1024463711.db2.gz WDVZZDOYZBWMAL-UHFFFAOYSA-N -1 3 386.411 3.797 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001138296251 1024574975 /nfs/dbraw/zinc/57/49/75/1024574975.db2.gz WEOUBEPWYAISNF-AAEUAGOBSA-N -1 3 377.282 3.989 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)C1(c2cccnc2)CCCC1 ZINC000837732718 1024670235 /nfs/dbraw/zinc/67/02/35/1024670235.db2.gz PSXABGCWUAMJKE-UHFFFAOYSA-N -1 3 375.428 3.799 20 0 GHADHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Br)c1 ZINC000837739015 1024673068 /nfs/dbraw/zinc/67/30/68/1024673068.db2.gz QYIUSUYKQIKFFJ-SNVBAGLBSA-N -1 3 377.238 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cccnc2)Cc2ncccc2[O-])C1 ZINC001138395584 1024772549 /nfs/dbraw/zinc/77/25/49/1024772549.db2.gz ACYBGTJRJWSTCX-SFHVURJKSA-N -1 3 398.507 3.584 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC[C@](C)(O)c2ccccc2)s1 ZINC001138625988 1025124386 /nfs/dbraw/zinc/12/43/86/1025124386.db2.gz NTFIOAGCJUTFKF-IBGZPJMESA-N -1 3 391.493 3.518 20 0 GHADHM [O-]c1cc(O)cc(OC[C@@H]2CCC(c3ccccc3)=NO2)c1Br ZINC001229096554 1033275171 /nfs/dbraw/zinc/27/51/71/1033275171.db2.gz FHJLMLVAWFJZLH-ZDUSSCGKSA-N -1 3 378.222 3.822 20 0 GHADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838895469 1025423943 /nfs/dbraw/zinc/42/39/43/1025423943.db2.gz QPCNYERVOISPKP-QAPCUYQASA-N -1 3 398.507 3.584 20 0 GHADHM Cc1cccc([C@@H](CNC(=O)c2cc3sccc3c([O-])c2)N2CCOCC2)c1 ZINC001141611263 1025882695 /nfs/dbraw/zinc/88/26/95/1025882695.db2.gz YRDQUZKIQFRPPN-LJQANCHMSA-N -1 3 396.512 3.719 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000832755613 1025922435 /nfs/dbraw/zinc/92/24/35/1025922435.db2.gz APRBKVKYOKGZIK-GXTWGEPZSA-N -1 3 388.320 3.650 20 0 GHADHM O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)Nc1ccc(Br)cc1[O-] ZINC001141623189 1025932115 /nfs/dbraw/zinc/93/21/15/1025932115.db2.gz YDNZLTNIUUUPMG-BXKDBHETSA-N -1 3 382.176 3.983 20 0 GHADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC001139131999 1025944615 /nfs/dbraw/zinc/94/46/15/1025944615.db2.gz HQOVEXIJSABSRD-UHFFFAOYSA-N -1 3 376.391 3.971 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)[n-]n1 ZINC001162880980 1025951809 /nfs/dbraw/zinc/95/18/09/1025951809.db2.gz RCBBGIHJFAKQEV-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)n[n-]1 ZINC001162880980 1025951812 /nfs/dbraw/zinc/95/18/12/1025951812.db2.gz RCBBGIHJFAKQEV-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CCc1c(C(=O)Nc2cccc(C(C)=O)c2[O-])cnn1-c1ccc(OC)cc1 ZINC001141649202 1026055981 /nfs/dbraw/zinc/05/59/81/1026055981.db2.gz GRBKEGNNLBUAKA-UHFFFAOYSA-N -1 3 379.416 3.604 20 0 GHADHM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001163162902 1026072415 /nfs/dbraw/zinc/07/24/15/1026072415.db2.gz MJNRABSYSQNGJI-UKRRQHHQSA-N -1 3 397.272 3.824 20 0 GHADHM Cc1ccc(CCN(C)Cc2cc(Br)ccc2OCC(=O)[O-])cc1 ZINC001139239843 1026087600 /nfs/dbraw/zinc/08/76/00/1026087600.db2.gz FHGYQYMXZBMEQQ-UHFFFAOYSA-N -1 3 392.293 3.895 20 0 GHADHM COc1ccc(Br)cc1-c1ncc(C(=O)[N-]c2ccon2)s1 ZINC001461078027 1069377933 /nfs/dbraw/zinc/37/79/33/1069377933.db2.gz FAVZVSKVSRXGJP-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(F)(F)F ZINC001165515934 1026751842 /nfs/dbraw/zinc/75/18/42/1026751842.db2.gz XXADIMZSLRVWCI-INIZCTEOSA-N -1 3 397.349 3.798 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC001461168156 1069423579 /nfs/dbraw/zinc/42/35/79/1069423579.db2.gz VBNSUMUVNKVFJC-AWEZNQCLSA-N -1 3 393.261 3.848 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1csnc1-c1ccccc1 ZINC001209780131 1027187949 /nfs/dbraw/zinc/18/79/49/1027187949.db2.gz PVRYSQDCWYHMHK-QGZVFWFLSA-N -1 3 399.541 3.757 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1csc(-c2ccccc2)n1 ZINC001209899981 1027267845 /nfs/dbraw/zinc/26/78/45/1027267845.db2.gz KZBKMSYRNONHBW-UHFFFAOYSA-N -1 3 388.489 3.959 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)c(F)c1 ZINC001209980419 1027299771 /nfs/dbraw/zinc/29/97/71/1027299771.db2.gz YPTOMLHPNNNXDQ-UHFFFAOYSA-N -1 3 399.871 3.869 20 0 GHADHM COC(=O)c1scc(S(=O)(=O)C(C)C)c1Nc1cccc(Cl)c1[O-] ZINC001210216593 1027388220 /nfs/dbraw/zinc/38/82/20/1027388220.db2.gz YGJWIEWHKWDZGT-UHFFFAOYSA-N -1 3 389.882 3.819 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc1OCc1ccccc1 ZINC001210256732 1027406597 /nfs/dbraw/zinc/40/65/97/1027406597.db2.gz MERVWBKNJZIZQJ-UHFFFAOYSA-N -1 3 384.457 3.663 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141843762 1027414345 /nfs/dbraw/zinc/41/43/45/1027414345.db2.gz VLALFLJWPYSXJD-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141843762 1027414357 /nfs/dbraw/zinc/41/43/57/1027414357.db2.gz VLALFLJWPYSXJD-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC001141843609 1027414702 /nfs/dbraw/zinc/41/47/02/1027414702.db2.gz OHHPXPHXCYCOAT-SNVBAGLBSA-N -1 3 376.247 3.840 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC001141843609 1027414711 /nfs/dbraw/zinc/41/47/11/1027414711.db2.gz OHHPXPHXCYCOAT-SNVBAGLBSA-N -1 3 376.247 3.840 20 0 GHADHM Cn1ccnc1-c1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC001210435151 1027511031 /nfs/dbraw/zinc/51/10/31/1027511031.db2.gz FZRJFXNSLAPFOR-UHFFFAOYSA-N -1 3 397.287 3.777 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)c(F)cc1F ZINC001210663800 1027594504 /nfs/dbraw/zinc/59/45/04/1027594504.db2.gz JLOYNCLSOLMIIC-UHFFFAOYSA-N -1 3 384.835 3.929 20 0 GHADHM O=C1C(N2CCOCC2)=CCCN1c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210860264 1027683133 /nfs/dbraw/zinc/68/31/33/1027683133.db2.gz STUFBZJQTFXFIM-UHFFFAOYSA-N -1 3 399.878 3.742 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c(Br)c1 ZINC001210893851 1027698002 /nfs/dbraw/zinc/69/80/02/1027698002.db2.gz KARSEWHFWSOMBA-CYBMUJFWSA-N -1 3 398.775 3.975 20 0 GHADHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001211045073 1027766214 /nfs/dbraw/zinc/76/62/14/1027766214.db2.gz WKBALJRUVLERCD-UHFFFAOYSA-N -1 3 389.851 3.846 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1Cl)c1csc(-c2ccccc2)n1 ZINC001211171198 1027819542 /nfs/dbraw/zinc/81/95/42/1027819542.db2.gz BRIALZNOSUQHOP-UHFFFAOYSA-N -1 3 394.905 3.821 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001211179756 1027824977 /nfs/dbraw/zinc/82/49/77/1027824977.db2.gz QMSAPHSBMSSPFQ-JKSUJKDBSA-N -1 3 394.562 3.991 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCc3ccccc32)c1 ZINC001211201543 1027836411 /nfs/dbraw/zinc/83/64/11/1027836411.db2.gz FFCCBAQQGBTGFA-FQEVSTJZSA-N -1 3 391.464 3.532 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cc4ccccc4[nH]3)c2)ccc1O ZINC001211309125 1027903844 /nfs/dbraw/zinc/90/38/44/1027903844.db2.gz XUEJRSKZHZZFQE-UHFFFAOYSA-N -1 3 395.440 3.738 20 0 GHADHM O=C([N-]c1cc(N2CCOC2=O)ccc1F)c1nc(Cl)sc1Cl ZINC001142039576 1027931197 /nfs/dbraw/zinc/93/11/97/1027931197.db2.gz PKIUMPAEGIYMGC-UHFFFAOYSA-N -1 3 376.196 3.798 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001211409779 1027946709 /nfs/dbraw/zinc/94/67/09/1027946709.db2.gz PNVGYQMDSPMDFI-WFASDCNBSA-N -1 3 375.918 3.516 20 0 GHADHM COc1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c(Br)c1 ZINC001213259364 1028076197 /nfs/dbraw/zinc/07/61/97/1028076197.db2.gz XPMYWUJTXGTUHV-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM O=C(c1ccccc1F)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142111250 1028140473 /nfs/dbraw/zinc/14/04/73/1028140473.db2.gz FHUWLYPFSYYJMR-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM Clc1cc(-c2nc(-c3cccc(-c4nc(-c5cccnc5)no4)c3)no2)[n-]n1 ZINC001213500228 1028229140 /nfs/dbraw/zinc/22/91/40/1028229140.db2.gz COHLIOIHIWXUKV-UHFFFAOYSA-N -1 3 391.778 3.892 20 0 GHADHM CC1CCC(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001213774118 1028374115 /nfs/dbraw/zinc/37/41/15/1028374115.db2.gz WMNFQQCYKLUUOH-IMRCBTMISA-N -1 3 385.501 3.707 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC)c(OC)c3Cl)no2)[n-]1 ZINC001213975271 1028485389 /nfs/dbraw/zinc/48/53/89/1028485389.db2.gz ZVPRBWRJTAEYAH-UHFFFAOYSA-N -1 3 377.784 3.579 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2csc3ccccc32)c(F)c1 ZINC001213984087 1028491411 /nfs/dbraw/zinc/49/14/11/1028491411.db2.gz KBHOUSAIWUFEMU-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(OC(F)(F)F)c2)c(F)cc1F ZINC001214046048 1028521702 /nfs/dbraw/zinc/52/17/02/1028521702.db2.gz XIIKECRLIDPUAJ-UHFFFAOYSA-N -1 3 381.322 3.650 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001214056963 1028528320 /nfs/dbraw/zinc/52/83/20/1028528320.db2.gz PVLATFQZKNYNLZ-FOIQADDNSA-N -1 3 381.538 3.698 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000841388295 1028550731 /nfs/dbraw/zinc/55/07/31/1028550731.db2.gz DDIHSDKRJHSOHN-LBPRGKRZSA-N -1 3 397.435 3.903 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)C(=O)c2ccco2)onc1-c1ccccc1 ZINC001142280565 1028563307 /nfs/dbraw/zinc/56/33/07/1028563307.db2.gz HWSIGKGBLCVJFC-UHFFFAOYSA-N -1 3 382.372 3.711 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c(C)c1OC ZINC000841796616 1028941979 /nfs/dbraw/zinc/94/19/79/1028941979.db2.gz RIPLQURHALEFJU-MRXNPFEDSA-N -1 3 383.366 3.947 20 0 GHADHM Cc1ccccc1COc1c(C)cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1C ZINC000841806483 1028953099 /nfs/dbraw/zinc/95/30/99/1028953099.db2.gz ITSFSBQQFCGDEI-OAQYLSRUSA-N -1 3 393.487 3.840 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c(F)c1F ZINC001214987769 1028985957 /nfs/dbraw/zinc/98/59/57/1028985957.db2.gz UGBLGZPHADCQGN-UHFFFAOYSA-N -1 3 395.214 3.857 20 0 GHADHM CC(C)OCc1ccccc1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142489460 1028992268 /nfs/dbraw/zinc/99/22/68/1028992268.db2.gz ZXCKIQVPEVTHSM-UHFFFAOYSA-N -1 3 386.398 3.661 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2ccc(I)c(F)c2)no1 ZINC001215139658 1029054539 /nfs/dbraw/zinc/05/45/39/1029054539.db2.gz JXKLXQXOHRBHFE-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001142558463 1029060313 /nfs/dbraw/zinc/06/03/13/1029060313.db2.gz XWBCXSUYNKTQNV-QGZVFWFLSA-N -1 3 380.485 3.726 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cccc(F)c2I)no1 ZINC001215301919 1029139857 /nfs/dbraw/zinc/13/98/57/1029139857.db2.gz LAAMDEUQCIGGDH-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CCc1cccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)c1[O-] ZINC001142631282 1029182888 /nfs/dbraw/zinc/18/28/88/1029182888.db2.gz NGKKOCXPBKZWQF-VYDXJSESSA-N -1 3 390.524 3.966 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)no2)cc1 ZINC001215447674 1029212973 /nfs/dbraw/zinc/21/29/73/1029212973.db2.gz BOEKNQRMCQPVLU-UHFFFAOYSA-N -1 3 392.440 3.837 20 0 GHADHM C[C@H](COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)CC(F)F ZINC000842442201 1029277996 /nfs/dbraw/zinc/27/79/96/1029277996.db2.gz HNHOWCFJVISYKG-QMMMGPOBSA-N -1 3 389.342 3.525 20 0 GHADHM [O-]c1cc(F)c(Nc2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)cc1F ZINC001215572349 1029288492 /nfs/dbraw/zinc/28/84/92/1029288492.db2.gz UODULGHQHFRDHY-GFCCVEGCSA-N -1 3 381.770 3.906 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](n2cc(Nc3cc(F)c([O-])cc3F)cn2)C1 ZINC001215572603 1029288530 /nfs/dbraw/zinc/28/85/30/1029288530.db2.gz MTGQXMPZKINASG-LBPRGKRZSA-N -1 3 380.395 3.792 20 0 GHADHM CN1CCN(Cc2ccc(Nc3ccc(Cl)c(C(=O)[O-])c3F)cc2)CC1 ZINC001215697723 1029354847 /nfs/dbraw/zinc/35/48/47/1029354847.db2.gz DVAZRTCVVOROIM-UHFFFAOYSA-N -1 3 377.847 3.668 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(C)cc1OC(C)C)OCC ZINC001215877389 1029435659 /nfs/dbraw/zinc/43/56/59/1029435659.db2.gz FZWICCKOOQIIDT-UHFFFAOYSA-N -1 3 375.469 3.963 20 0 GHADHM Cc1cccc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)c1Br ZINC001216014872 1029493154 /nfs/dbraw/zinc/49/31/54/1029493154.db2.gz XGSKLHSNDWCJTE-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cccc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)c1Br ZINC001216014872 1029493159 /nfs/dbraw/zinc/49/31/59/1029493159.db2.gz XGSKLHSNDWCJTE-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Nc1cncc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2Cl)c1 ZINC001216237620 1029579139 /nfs/dbraw/zinc/57/91/39/1029579139.db2.gz YDNSGAVMUZBAKP-UHFFFAOYSA-N -1 3 375.837 3.910 20 0 GHADHM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000842793145 1029593304 /nfs/dbraw/zinc/59/33/04/1029593304.db2.gz IWPZEXAWXMXYEF-UHFFFAOYSA-N -1 3 376.522 3.855 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cccc(Br)c2Cl)no1 ZINC001216727117 1029907618 /nfs/dbraw/zinc/90/76/18/1029907618.db2.gz OYOKFQYTTPYSGL-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM COc1cccc(NC2CCN(C(=O)c3c([O-])c(C)nc4ccccc43)CC2)c1 ZINC001149198839 1030089018 /nfs/dbraw/zinc/08/90/18/1030089018.db2.gz VXPZLWDUCILYIS-UHFFFAOYSA-N -1 3 391.471 3.974 20 0 GHADHM CCc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)ccc1F ZINC001217018556 1030095261 /nfs/dbraw/zinc/09/52/61/1030095261.db2.gz RSVNNBWLHGBTGS-UHFFFAOYSA-N -1 3 379.388 3.616 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1F ZINC001217019241 1030097394 /nfs/dbraw/zinc/09/73/94/1030097394.db2.gz LXMRTAVRFSXOHY-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM O=C([O-])c1cc(-c2cncc([C@H]3CN4CCC3CC4)n2)cc(C(F)(F)F)c1 ZINC001222603875 1030229907 /nfs/dbraw/zinc/22/99/07/1030229907.db2.gz FEOROXIXLAFOCU-HNNXBMFYSA-N -1 3 377.366 3.670 20 0 GHADHM Cn1nc2c(c1NC(=O)c1cc(OCc3ccccc3)ccc1[O-])CCCC2 ZINC001149743584 1030289698 /nfs/dbraw/zinc/28/96/98/1030289698.db2.gz AVMVTVUCXFJMFX-UHFFFAOYSA-N -1 3 377.444 3.836 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2cnc(OC)c(C)c2)no1 ZINC001217299346 1030292411 /nfs/dbraw/zinc/29/24/11/1030292411.db2.gz WVIUJEFHSNBLHT-UHFFFAOYSA-N -1 3 378.388 3.774 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc2c(c1)C[C@H](COCc1ccc(F)cc1)O2 ZINC001149773127 1030297457 /nfs/dbraw/zinc/29/74/57/1030297457.db2.gz WDWAVAKJZLGYSA-GOSISDBHSA-N -1 3 394.402 3.699 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001149982009 1030368726 /nfs/dbraw/zinc/36/87/26/1030368726.db2.gz HBUPMABIKMYLEL-JOCHJYFZSA-N -1 3 395.430 3.503 20 0 GHADHM CC(=O)N1CCCc2cc(-c3noc(-c4c([O-])cnc5ccccc54)n3)ccc21 ZINC001217441934 1030395099 /nfs/dbraw/zinc/39/50/99/1030395099.db2.gz SHMMSLCFDBAMPV-UHFFFAOYSA-N -1 3 386.411 3.957 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001217471664 1030420961 /nfs/dbraw/zinc/42/09/61/1030420961.db2.gz ZESHVPWPCDIWJJ-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc(F)c(Cl)c4F)no3)n[n-]c21 ZINC001217471664 1030420966 /nfs/dbraw/zinc/42/09/66/1030420966.db2.gz ZESHVPWPCDIWJJ-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(OC(F)F)cc4)no3)c21 ZINC001217511599 1030454428 /nfs/dbraw/zinc/45/44/28/1030454428.db2.gz AWSLCMSFPZXMKJ-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM COc1ccc(-c2noc(-c3nc4nc(Cl)ccc4[n-]3)n2)c(Cl)c1OC ZINC001217551730 1030486302 /nfs/dbraw/zinc/48/63/02/1030486302.db2.gz PYBAQOMWZIKKNS-UHFFFAOYSA-N -1 3 392.202 3.999 20 0 GHADHM COc1ccc(-c2noc(-c3nc4ccc(Cl)[n-]c-4n3)n2)c(Cl)c1OC ZINC001217551730 1030486311 /nfs/dbraw/zinc/48/63/11/1030486311.db2.gz PYBAQOMWZIKKNS-UHFFFAOYSA-N -1 3 392.202 3.999 20 0 GHADHM COc1ccc(-c2noc(-c3nc4ccc(Cl)nc4[n-]3)n2)c(Cl)c1OC ZINC001217551730 1030486319 /nfs/dbraw/zinc/48/63/19/1030486319.db2.gz PYBAQOMWZIKKNS-UHFFFAOYSA-N -1 3 392.202 3.999 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)[n-]1 ZINC001150417222 1030524180 /nfs/dbraw/zinc/52/41/80/1030524180.db2.gz YUWKYVDCOCCZRI-UHFFFAOYSA-N -1 3 388.424 3.718 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)c[n-]1 ZINC001150417222 1030524198 /nfs/dbraw/zinc/52/41/98/1030524198.db2.gz YUWKYVDCOCCZRI-UHFFFAOYSA-N -1 3 388.424 3.718 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N1CCC[C@@H]1c1ccccn1 ZINC001150470519 1030536650 /nfs/dbraw/zinc/53/66/50/1030536650.db2.gz MADQMPSFULKBRW-QGZVFWFLSA-N -1 3 387.361 3.919 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc3nc(N)sc3c2)c([O-])c1 ZINC001150509969 1030549028 /nfs/dbraw/zinc/54/90/28/1030549028.db2.gz OEZXPOOUXUEJSF-UHFFFAOYSA-N -1 3 385.445 3.792 20 0 GHADHM Cc1ccc(SCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001151185026 1030798273 /nfs/dbraw/zinc/79/82/73/1030798273.db2.gz MFQFXRMSHQTNHH-OAHLLOKOSA-N -1 3 382.526 3.747 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(Cl)c1[O-] ZINC001276944793 1030874301 /nfs/dbraw/zinc/87/43/01/1030874301.db2.gz XXUFPMKXDIWZLE-OAGGEKHMSA-N -1 3 379.932 3.946 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cnc2ccc(O)cc2c1 ZINC001151364632 1030878406 /nfs/dbraw/zinc/87/84/06/1030878406.db2.gz KROHXNLUVVSQRQ-UHFFFAOYSA-N -1 3 375.384 3.851 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cncc(OC(F)(F)F)c1 ZINC001151367036 1030881234 /nfs/dbraw/zinc/88/12/34/1030881234.db2.gz UAWGYKFMJWDMQJ-UHFFFAOYSA-N -1 3 393.321 3.891 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001151373560 1030885624 /nfs/dbraw/zinc/88/56/24/1030885624.db2.gz YFEJNBPQLUJGQS-UHFFFAOYSA-N -1 3 391.427 3.724 20 0 GHADHM C[C@H]1CCCC(=O)CCCC=Cc2cc([O-])cc(O[C@H]3C[C@@H](O)C3)c2C(=O)O1 ZINC001218416805 1030930779 /nfs/dbraw/zinc/93/07/79/1030930779.db2.gz FVWBOKJUAVQESW-ZOCIIQOWSA-N -1 3 388.460 3.776 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001151717060 1030981061 /nfs/dbraw/zinc/98/10/61/1030981061.db2.gz NJSCYSHBFNZKKH-MRXNPFEDSA-N -1 3 385.357 3.723 20 0 GHADHM COc1cc(Cl)ncc1NC(=O)c1nc2cc(Br)ccc2[n-]1 ZINC001151821189 1031018621 /nfs/dbraw/zinc/01/86/21/1031018621.db2.gz IQRMHQJQUNPOFA-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM COc1cc(Cl)ncc1NC(=O)c1nc2ccc(Br)cc2[n-]1 ZINC001151821189 1031018636 /nfs/dbraw/zinc/01/86/36/1031018636.db2.gz IQRMHQJQUNPOFA-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM Cc1c(NC(=O)c2nc3cc(Br)ccc3[n-]2)ccc2c1OCCO2 ZINC001151826791 1031022671 /nfs/dbraw/zinc/02/26/71/1031022671.db2.gz NOSSWOJOABPCTC-UHFFFAOYSA-N -1 3 388.221 3.657 20 0 GHADHM Cc1c(NC(=O)c2nc3ccc(Br)cc3[n-]2)ccc2c1OCCO2 ZINC001151826791 1031022693 /nfs/dbraw/zinc/02/26/93/1031022693.db2.gz NOSSWOJOABPCTC-UHFFFAOYSA-N -1 3 388.221 3.657 20 0 GHADHM CN[C@@H](COCc1ccccc1)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001219012776 1031212922 /nfs/dbraw/zinc/21/29/22/1031212922.db2.gz HBDZNCPOPFXUKC-HNNXBMFYSA-N -1 3 383.275 3.751 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc(CC(C)(C)C)cs2)c([O-])c1 ZINC001152679123 1031321795 /nfs/dbraw/zinc/32/17/95/1031321795.db2.gz DCSJMVOYDRUWIZ-UHFFFAOYSA-N -1 3 375.494 3.504 20 0 GHADHM Cc1cc([O-])c(I)c(O[C@@H](C)C(=O)OCCC(C)C)c1 ZINC001225511856 1031447544 /nfs/dbraw/zinc/44/75/44/1031447544.db2.gz WJFYMMBOEJOKFC-NSHDSACASA-N -1 3 392.233 3.662 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC001153427304 1031585612 /nfs/dbraw/zinc/58/56/12/1031585612.db2.gz BEVJLMDZGBAFTC-HNNXBMFYSA-N -1 3 389.320 3.656 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(Cl)ccc3cc(Cl)cnc32)[n-]n1 ZINC001153470517 1031607309 /nfs/dbraw/zinc/60/73/09/1031607309.db2.gz JKSPLDFSNAMNAJ-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(Cl)ccc3cc(Cl)cnc32)n[n-]1 ZINC001153470517 1031607320 /nfs/dbraw/zinc/60/73/20/1031607320.db2.gz JKSPLDFSNAMNAJ-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c2n[nH]cc21 ZINC001153878276 1031788593 /nfs/dbraw/zinc/78/85/93/1031788593.db2.gz RUNMEZAGQQERRK-UHFFFAOYSA-N -1 3 397.232 3.728 20 0 GHADHM CCCC1CCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)CC1 ZINC001153876992 1031789187 /nfs/dbraw/zinc/78/91/87/1031789187.db2.gz SVJLENPYFWYVKN-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM CN(Cc1ncccc1C(F)(F)F)C(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153901516 1031801521 /nfs/dbraw/zinc/80/15/21/1031801521.db2.gz NXSAUWMLZYPSFD-UHFFFAOYSA-N -1 3 395.768 3.868 20 0 GHADHM O=C(N[C@@H]1CCOc2c(F)cc(F)cc21)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908693 1031805967 /nfs/dbraw/zinc/80/59/67/1031805967.db2.gz VXNXOXOBWQOETA-OAHLLOKOSA-N -1 3 390.773 3.713 20 0 GHADHM CN1c2cc(NC(=O)c3c([O-])cc4ccccc4c3O)ccc2C(C)(C)C1=O ZINC001154027861 1031884291 /nfs/dbraw/zinc/88/42/91/1031884291.db2.gz FMVOLKBFRVJJFK-UHFFFAOYSA-N -1 3 376.412 3.757 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCC[C@H]3c3ccc(F)cc3F)[n-]c2c1 ZINC001154114677 1031936178 /nfs/dbraw/zinc/93/61/78/1031936178.db2.gz IEGJLDLXSVZHCO-IBGZPJMESA-N -1 3 384.382 3.792 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC001226482823 1031975682 /nfs/dbraw/zinc/97/56/82/1031975682.db2.gz QYYOEUDRFYAAII-OAHLLOKOSA-N -1 3 379.453 3.715 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(OC3CC(C(=O)OCc4ccccc4)C3)cc12 ZINC001226533124 1031999164 /nfs/dbraw/zinc/99/91/64/1031999164.db2.gz ZLYBIZDGZMFNOV-UHFFFAOYSA-N -1 3 380.396 3.708 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])ccc3ccc(=O)oc31)C2 ZINC001226594749 1032031192 /nfs/dbraw/zinc/03/11/92/1032031192.db2.gz AFTZCNIKBBPBFH-FICVDOATSA-N -1 3 387.432 3.808 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1N1CCCC1 ZINC001154300236 1032031195 /nfs/dbraw/zinc/03/11/95/1032031195.db2.gz VZWWXSGLQJUJHJ-UHFFFAOYSA-N -1 3 383.398 3.967 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3c([O-])ccc4ccc(=O)oc43)[C@@H]2C1 ZINC001226598079 1032033554 /nfs/dbraw/zinc/03/35/54/1032033554.db2.gz ADRLRRABJKWGFG-SQWLQELKSA-N -1 3 387.432 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cccc([O-])c3Br)[C@@H]2C1 ZINC001229142559 1033304655 /nfs/dbraw/zinc/30/46/55/1033304655.db2.gz PZYSBSPLKMJUGB-MISXGVKJSA-N -1 3 384.270 3.789 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(C)(C)C ZINC001156969363 1033345126 /nfs/dbraw/zinc/34/51/26/1033345126.db2.gz HXUTXTXXSHFPDO-FQEVSTJZSA-N -1 3 383.488 3.885 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C(C)C)C(C)(C)COC(=O)C(C)C ZINC001229338469 1033423477 /nfs/dbraw/zinc/42/34/77/1033423477.db2.gz ZQOVQYWIWYGTMJ-KRWDZBQOSA-N -1 3 390.484 3.504 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C(C)C)C(C)(C)COC(=O)C(C)C ZINC001229338469 1033423481 /nfs/dbraw/zinc/42/34/81/1033423481.db2.gz ZQOVQYWIWYGTMJ-KRWDZBQOSA-N -1 3 390.484 3.504 20 0 GHADHM Cc1csc2[n-]c(=S)nc(OC3CCN(c4ccc(Cl)nn4)CC3)c12 ZINC001229353121 1033433429 /nfs/dbraw/zinc/43/34/29/1033433429.db2.gz LERBBSNILGGFHO-UHFFFAOYSA-N -1 3 393.925 3.780 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157234459 1033485616 /nfs/dbraw/zinc/48/56/16/1033485616.db2.gz QIADBAMRAXYIDG-VXGBXAGGSA-N -1 3 384.402 3.900 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001157241505 1033487229 /nfs/dbraw/zinc/48/72/29/1033487229.db2.gz AQSWMJLBGNIXSQ-SECBINFHSA-N -1 3 396.398 3.823 20 0 GHADHM Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157243874 1033488981 /nfs/dbraw/zinc/48/89/81/1033488981.db2.gz SLSVTBNIOCRHIW-LURJTMIESA-N -1 3 395.154 3.525 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(=S)[n-]c3sccc32)[C@@H](F)C1 ZINC001229564534 1033560559 /nfs/dbraw/zinc/56/05/59/1033560559.db2.gz FYAINPYZOHYTFN-QWRGUYRKSA-N -1 3 385.486 3.706 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(OC)c(Br)c3)no2)c1 ZINC000324138853 1033658557 /nfs/dbraw/zinc/65/85/57/1033658557.db2.gz XHBFNSXYPPLEGP-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Clc1ccc(CN2CC[C@@H](Oc3ccccc3-c3nnn[n-]3)C2)cc1Cl ZINC001229950158 1033811316 /nfs/dbraw/zinc/81/13/16/1033811316.db2.gz IFRKUVLEODUCIN-CYBMUJFWSA-N -1 3 390.274 3.827 20 0 GHADHM Clc1ccc(CN2CC[C@@H](Oc3ccccc3-c3nn[n-]n3)C2)cc1Cl ZINC001229950158 1033811321 /nfs/dbraw/zinc/81/13/21/1033811321.db2.gz IFRKUVLEODUCIN-CYBMUJFWSA-N -1 3 390.274 3.827 20 0 GHADHM [O-]c1cc(Br)cnc1CN(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001206429901 1033840251 /nfs/dbraw/zinc/84/02/51/1033840251.db2.gz MFQBJQSRFOEFSC-GOSISDBHSA-N -1 3 391.309 3.713 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)c([O-])c(OC)c1 ZINC001158238484 1033981006 /nfs/dbraw/zinc/98/10/06/1033981006.db2.gz HSDLXGNOMJTHOG-UHFFFAOYSA-N -1 3 383.444 3.946 20 0 GHADHM O=C(c1ccc([O-])cc1)c1ccccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001231232185 1034475565 /nfs/dbraw/zinc/47/55/65/1034475565.db2.gz YXKLIELMCMBKFE-KESTWPANSA-N -1 3 381.472 3.645 20 0 GHADHM [O-]c1cc(Br)c(O[C@@H]2CCc3nccn3C2)cc1Br ZINC001231238232 1034477785 /nfs/dbraw/zinc/47/77/85/1034477785.db2.gz FBQUPDFFYXIBGQ-MRVPVSSYSA-N -1 3 388.059 3.508 20 0 GHADHM Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1F ZINC001231458145 1034602371 /nfs/dbraw/zinc/60/23/71/1034602371.db2.gz FQZZQHCZJPAPKW-JWTNVVGKSA-N -1 3 386.471 3.915 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001231458553 1034602505 /nfs/dbraw/zinc/60/25/05/1034602505.db2.gz ZVAIDCLQSBPAFC-QFIPXVFZSA-N -1 3 386.442 3.904 20 0 GHADHM Cc1ccc([O-])c(CN(Cc2ccncc2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001231675477 1034827670 /nfs/dbraw/zinc/82/76/70/1034827670.db2.gz QVJKHZDSMDERAH-GOSISDBHSA-N -1 3 398.507 3.502 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(F)c2)cc1Cl ZINC001213019998 1034829351 /nfs/dbraw/zinc/82/93/51/1034829351.db2.gz DHHSTRVYVPUSFS-UHFFFAOYSA-N -1 3 384.738 3.761 20 0 GHADHM [O-]c1cc(CN2CCC3(CC2)CN(Cc2ccoc2)CCO3)ccc1Cl ZINC001231732181 1034868816 /nfs/dbraw/zinc/86/88/16/1034868816.db2.gz VULLCDYJCVGPBA-UHFFFAOYSA-N -1 3 376.884 3.506 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001208386146 1034878749 /nfs/dbraw/zinc/87/87/49/1034878749.db2.gz XJKFXJUGDWPBFH-NEPJUHHUSA-N -1 3 399.406 3.598 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC001208515940 1034920523 /nfs/dbraw/zinc/92/05/23/1034920523.db2.gz KOWUTTCAVPBNFP-UHFFFAOYSA-N -1 3 383.882 3.547 20 0 GHADHM C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001208756580 1035002598 /nfs/dbraw/zinc/00/25/98/1035002598.db2.gz AERKTRGVDLODOW-OAHLLOKOSA-N -1 3 399.541 3.540 20 0 GHADHM COC(=O)C[C@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C1CCCCC1 ZINC001160561908 1035003437 /nfs/dbraw/zinc/00/34/37/1035003437.db2.gz NDCBYFVTHWWERX-JTQLQIEISA-N -1 3 379.860 3.570 20 0 GHADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)Sc1ccc(Br)cc1 ZINC001160747417 1035053822 /nfs/dbraw/zinc/05/38/22/1035053822.db2.gz PFPJMVJSVDMQTE-JTQLQIEISA-N -1 3 382.279 3.771 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948820 1035102347 /nfs/dbraw/zinc/10/23/47/1035102347.db2.gz PHETVUBNWOOKPH-HOTGVXAUSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948820 1035102349 /nfs/dbraw/zinc/10/23/49/1035102349.db2.gz PHETVUBNWOOKPH-HOTGVXAUSA-N -1 3 388.258 3.840 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160948477 1035102368 /nfs/dbraw/zinc/10/23/68/1035102368.db2.gz LHJVDHOBHTXSQC-GFCCVEGCSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160948477 1035102374 /nfs/dbraw/zinc/10/23/74/1035102374.db2.gz LHJVDHOBHTXSQC-GFCCVEGCSA-N -1 3 389.381 3.627 20 0 GHADHM O=C(Nc1csc(-c2ccncc2)n1)c1cc([O-])cc(Br)c1 ZINC001161136269 1035154670 /nfs/dbraw/zinc/15/46/70/1035154670.db2.gz STAWAOWWEQVMKI-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC001161281381 1035200812 /nfs/dbraw/zinc/20/08/12/1035200812.db2.gz ZYTNYXIGTPQVQP-UONOGXRCSA-N -1 3 396.447 3.914 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001161505601 1035244595 /nfs/dbraw/zinc/24/45/95/1035244595.db2.gz IPWWHCYFKDUUAN-HUUCEWRRSA-N -1 3 394.512 3.993 20 0 GHADHM O=C1Nc2cnc(-c3ccc([O-])cc3Cl)nc2N(C2CCCC2)CC1(F)F ZINC001245078348 1036757442 /nfs/dbraw/zinc/75/74/42/1036757442.db2.gz GHXNERHRDNZIBL-UHFFFAOYSA-N -1 3 394.809 3.839 20 0 GHADHM CCc1ccc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)cc1CC ZINC001462214558 1070089573 /nfs/dbraw/zinc/08/95/73/1070089573.db2.gz FOGNMBJKLSZCNX-UHFFFAOYSA-N -1 3 395.550 3.597 20 0 GHADHM N[C@@H](CCCC[N-]C(=O)C(F)(F)F)c1nc(-c2ccc3sccc3c2)no1 ZINC001247691054 1038329667 /nfs/dbraw/zinc/32/96/67/1038329667.db2.gz QBXBZFWNUTUXAV-LBPRGKRZSA-N -1 3 398.410 3.800 20 0 GHADHM COc1ccc(CN(C)Cc2cc(F)c([O-])c(Br)c2)cc1OC ZINC001232640324 1038428022 /nfs/dbraw/zinc/42/80/22/1038428022.db2.gz NZJOPPARIACACT-UHFFFAOYSA-N -1 3 384.245 3.943 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)c1Cl ZINC001232787679 1038555340 /nfs/dbraw/zinc/55/53/40/1038555340.db2.gz QPAKIQCDSLHLOH-GOSISDBHSA-N -1 3 394.853 3.573 20 0 GHADHM COc1ccc(NC(=O)NC2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC001232789682 1038557251 /nfs/dbraw/zinc/55/72/51/1038557251.db2.gz NLACPDXGIQFROF-UHFFFAOYSA-N -1 3 389.883 3.840 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc([O-])c(F)c(F)c3)CC[C@@H]2C1 ZINC001232970272 1038742329 /nfs/dbraw/zinc/74/23/29/1038742329.db2.gz ICWXURIGLCWESJ-GASCZTMLSA-N -1 3 382.451 3.749 20 0 GHADHM CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232970451 1038743647 /nfs/dbraw/zinc/74/36/47/1038743647.db2.gz SPHXPLMWBJELIJ-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC001233033640 1038788363 /nfs/dbraw/zinc/78/83/63/1038788363.db2.gz RGXDUFOOUFJJNW-UHFFFAOYSA-N -1 3 386.801 3.943 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1F ZINC001233051816 1038809374 /nfs/dbraw/zinc/80/93/74/1038809374.db2.gz UUPKGUQOQUDFMP-UHFFFAOYSA-N -1 3 380.257 3.777 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC001278674555 1039050605 /nfs/dbraw/zinc/05/06/05/1039050605.db2.gz NLORBDITZKAVQA-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM CC(C)CN1c2ccccc2[C@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1=O ZINC001233395200 1039229357 /nfs/dbraw/zinc/22/93/57/1039229357.db2.gz PNGNFWUAKFBMPK-JOCHJYFZSA-N -1 3 386.442 3.817 20 0 GHADHM COc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)c(Cl)c1[O-] ZINC001233399974 1039237499 /nfs/dbraw/zinc/23/74/99/1039237499.db2.gz QMOQVXRDIOWPEF-UHFFFAOYSA-N -1 3 379.888 3.582 20 0 GHADHM COc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c(Cl)c1[O-] ZINC001233401924 1039246541 /nfs/dbraw/zinc/24/65/41/1039246541.db2.gz UFBFNKLCVJEMRM-UHFFFAOYSA-N -1 3 380.916 3.715 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nnc(-c2cccc(Br)c2)o1 ZINC001253177685 1039463050 /nfs/dbraw/zinc/46/30/50/1039463050.db2.gz FHDPNGOTEAEHSW-UHFFFAOYSA-N -1 3 379.601 3.800 20 0 GHADHM CC(C)(C)OC(=O)N1CCCO[C@H](COc2c([O-])cc(Cl)cc2F)C1 ZINC001234446462 1040038961 /nfs/dbraw/zinc/03/89/61/1040038961.db2.gz FQHCKQNQAQKOSD-LBPRGKRZSA-N -1 3 375.824 3.590 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])cc(Cl)cc2F)[C@H]2OCC[C@@H]21 ZINC001234448308 1040040496 /nfs/dbraw/zinc/04/04/96/1040040496.db2.gz QUTIPRAULICRJH-BJJXKVORSA-N -1 3 387.835 3.730 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)[C@@H](F)C1 ZINC001234688037 1040219244 /nfs/dbraw/zinc/21/92/44/1040219244.db2.gz CWQCDCOFGLUAAB-LSDHHAIUSA-N -1 3 389.427 3.576 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(OC[C@@H]3CCCO3)c-2o1 ZINC001234734864 1040261230 /nfs/dbraw/zinc/26/12/30/1040261230.db2.gz WTSLILZTXLNIKX-ZDUSSCGKSA-N -1 3 398.411 3.741 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCOCC2)cc1 ZINC001255336091 1040949660 /nfs/dbraw/zinc/94/96/60/1040949660.db2.gz YNCBDUYMORVYNB-UHFFFAOYSA-N -1 3 378.469 3.587 20 0 GHADHM [O-]c1cc(F)c(CN2CCN[C@H](c3cccc(Br)c3)C2)c(F)c1 ZINC001235797635 1041298011 /nfs/dbraw/zinc/29/80/11/1041298011.db2.gz GLFGSLCRHZDXBS-KRWDZBQOSA-N -1 3 383.236 3.579 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)c1ccc(F)cc1F ZINC001256117481 1041550203 /nfs/dbraw/zinc/55/02/03/1041550203.db2.gz FVTCZAYWAWHXKV-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Br)c([O-])c3)[C@@H]2C1 ZINC001236684741 1041830307 /nfs/dbraw/zinc/83/03/07/1041830307.db2.gz WKOLTCUCTDHQIK-UKRRQHHQSA-N -1 3 397.313 3.596 20 0 GHADHM COC(=O)[C@@H]1CN(Cc2ccc(Br)c([O-])c2)C[C@@H]1c1ccccc1 ZINC001236684989 1041830419 /nfs/dbraw/zinc/83/04/19/1041830419.db2.gz AOQLNKLDTOBWIW-HZPDHXFCSA-N -1 3 390.277 3.543 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)ccc1Br ZINC001236685402 1041831619 /nfs/dbraw/zinc/83/16/19/1041831619.db2.gz WJRQILXLMXFZEQ-SZVBFZGTSA-N -1 3 396.325 3.703 20 0 GHADHM C[C@@H]1c2ncc(COCC3CCCC3)n2CCN1Cc1sc(=O)[n-]c1Cl ZINC001237151070 1042066005 /nfs/dbraw/zinc/06/60/05/1042066005.db2.gz VIJBHHHAZAVUDK-GFCCVEGCSA-N -1 3 396.944 3.982 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CNC2)c1cc(Br)ccc1Cl ZINC001237605523 1042278747 /nfs/dbraw/zinc/27/87/47/1042278747.db2.gz ZZDZQLJFAGPXNH-UHFFFAOYSA-N -1 3 387.686 3.507 20 0 GHADHM COc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(N)cc3)c2)cc1 ZINC001237698515 1042330341 /nfs/dbraw/zinc/33/03/41/1042330341.db2.gz CWBYIQFVIYFRGW-UHFFFAOYSA-N -1 3 384.457 3.657 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N)c(Br)c2)ccc1Cl ZINC001238001586 1042453005 /nfs/dbraw/zinc/45/30/05/1042453005.db2.gz DYROERYEVULSLW-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM CCC[C@H](COC)N(CCC(=O)OCC)Cc1cc(Cl)c([O-])cc1F ZINC001238153870 1042505993 /nfs/dbraw/zinc/50/59/93/1042505993.db2.gz HGXWCLKYFGXBAI-CQSZACIVSA-N -1 3 375.868 3.755 20 0 GHADHM COc1ccc(Oc2cc(CNC(=O)c3c([O-])cccc3OC)ccn2)cc1 ZINC001291662006 1043380629 /nfs/dbraw/zinc/38/06/29/1043380629.db2.gz WPTKNRGIAHTCBT-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM COc1ccccc1CN(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC001291786969 1043465690 /nfs/dbraw/zinc/46/56/90/1043465690.db2.gz YJJZYHGEATXVOV-UHFFFAOYSA-N -1 3 376.250 3.968 20 0 GHADHM CCOc1ccc(Oc2cc(CNC(=O)c3c([O-])cccc3OC)ccn2)cc1 ZINC001291789256 1043468095 /nfs/dbraw/zinc/46/80/95/1043468095.db2.gz SFJJRWZQHONIAL-UHFFFAOYSA-N -1 3 394.427 3.917 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1 ZINC001256541943 1043494180 /nfs/dbraw/zinc/49/41/80/1043494180.db2.gz RNTAXKUUHCPOEC-SNVBAGLBSA-N -1 3 386.709 3.720 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432047 1043730991 /nfs/dbraw/zinc/73/09/91/1043730991.db2.gz BATAFYINLBOJOK-MAUKXSAKSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432047 1043731005 /nfs/dbraw/zinc/73/10/05/1043731005.db2.gz BATAFYINLBOJOK-MAUKXSAKSA-N -1 3 398.264 3.546 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c(C)c1 ZINC001292450350 1043740013 /nfs/dbraw/zinc/74/00/13/1043740013.db2.gz IGYPYXWUDJVJRX-UHFFFAOYSA-N -1 3 392.411 3.719 20 0 GHADHM O=S(=O)([N-]Cc1cncc(Br)c1)c1c(Cl)cccc1Cl ZINC001257776055 1044166315 /nfs/dbraw/zinc/16/63/15/1044166315.db2.gz WVAGZNAHMGJPIV-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001462817631 1070569119 /nfs/dbraw/zinc/56/91/19/1070569119.db2.gz RESHBFBRTAEQCE-WDEREUQCSA-N -1 3 379.931 3.744 20 0 GHADHM CCc1ccc(N2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)cc1 ZINC001294211306 1044526770 /nfs/dbraw/zinc/52/67/70/1044526770.db2.gz FQHOINUJBYBZFU-UHFFFAOYSA-N -1 3 389.293 3.680 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCCC[C@H]1C ZINC001462836151 1070584807 /nfs/dbraw/zinc/58/48/07/1070584807.db2.gz QVRQXANMUCMGGD-GHMZBOCLSA-N -1 3 383.316 3.674 20 0 GHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294440945 1044632112 /nfs/dbraw/zinc/63/21/12/1044632112.db2.gz PKGKKSZBQIHHBF-UKRRQHHQSA-N -1 3 382.410 3.900 20 0 GHADHM O=C(NC[C@@H](O)c1ccccc1F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001294562572 1044705724 /nfs/dbraw/zinc/70/57/24/1044705724.db2.gz MODDPKHQVCZCRD-JOCHJYFZSA-N -1 3 379.431 3.780 20 0 GHADHM CN(C)c1nc2cc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccc2o1 ZINC001294630760 1044737300 /nfs/dbraw/zinc/73/73/00/1044737300.db2.gz AXZJQNPPYFSQLT-UHFFFAOYSA-N -1 3 382.807 3.641 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)nc1Cl ZINC001258921163 1044879289 /nfs/dbraw/zinc/87/92/89/1044879289.db2.gz HLLNGMSVVWJIHT-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc3ncccc32)c(OC)c1 ZINC001258959726 1044907059 /nfs/dbraw/zinc/90/70/59/1044907059.db2.gz KXJVOXGVKUQIKE-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)C(F)(F)F)c(OC)c1 ZINC001258963120 1044908710 /nfs/dbraw/zinc/90/87/10/1044908710.db2.gz DEZBAPXTBFAISI-MRXNPFEDSA-N -1 3 389.395 3.594 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cnc3c(ccc(F)c3F)c1)C(=O)C2 ZINC001258968132 1044911406 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GHADHM CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC001295351650 1044986766 /nfs/dbraw/zinc/98/67/66/1044986766.db2.gz XKPPKWHHOUPMQC-CQSZACIVSA-N -1 3 392.246 3.942 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](c3ccncc3)C3CCCC3)nc21 ZINC001295453729 1045022988 /nfs/dbraw/zinc/02/29/88/1045022988.db2.gz LOZINCCNBDHONF-QGZVFWFLSA-N -1 3 378.432 3.657 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c([O-])c1 ZINC001295592543 1045061870 /nfs/dbraw/zinc/06/18/70/1045061870.db2.gz MRAWALKTDWKUCQ-QGZVFWFLSA-N -1 3 398.478 3.756 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc2cnccc2c1Br ZINC001259301330 1045065399 /nfs/dbraw/zinc/06/53/99/1045065399.db2.gz ZLQDOFAMGXZNHN-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM Cc1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259344970 1045091813 /nfs/dbraw/zinc/09/18/13/1045091813.db2.gz HGZITLSTKMCUIM-UHFFFAOYSA-N -1 3 388.489 3.557 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1Cl ZINC001259397200 1045121977 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C[C@](O)(C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC001296044593 1045232015 /nfs/dbraw/zinc/23/20/15/1045232015.db2.gz OLKMDQKVZTWBLJ-INIZCTEOSA-N -1 3 375.749 3.734 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)c(F)cc1Br)c1cccnc1 ZINC001259607937 1045242090 /nfs/dbraw/zinc/24/20/90/1045242090.db2.gz NERBHAHCUPSTKX-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=C(Cc1ccccc1Cl)Nc1ccc(I)cc1[O-] ZINC001296281552 1045294764 /nfs/dbraw/zinc/29/47/64/1045294764.db2.gz CAFFAQPPWCCTLH-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1cc(OC(F)(F)F)ccc1F ZINC001259773846 1045297289 /nfs/dbraw/zinc/29/72/89/1045297289.db2.gz RFUXOXJICFLMNT-UHFFFAOYSA-N -1 3 381.322 3.848 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1cc(Br)ccc1F ZINC001259785727 1045303301 /nfs/dbraw/zinc/30/33/01/1045303301.db2.gz MJQKHOFJBJETIS-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c(Cl)s1 ZINC001260087474 1045378331 /nfs/dbraw/zinc/37/83/31/1045378331.db2.gz ZLOUBMZRHGPZIO-UHFFFAOYSA-N -1 3 396.877 3.846 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC001260239033 1045422443 /nfs/dbraw/zinc/42/24/43/1045422443.db2.gz CDCCURAZPDQNOG-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(CO)cc3)c1C)CC(C)(C)O2 ZINC001260246567 1045426923 /nfs/dbraw/zinc/42/69/23/1045426923.db2.gz CMPYWFDTOJJUJR-UHFFFAOYSA-N -1 3 375.490 3.618 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1F ZINC001260381248 1045484016 /nfs/dbraw/zinc/48/40/16/1045484016.db2.gz STNPNJBDOIXYPB-GXTWGEPZSA-N -1 3 388.233 3.562 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)Nc1cc([O-])c(F)cc1F ZINC001260460994 1045502346 /nfs/dbraw/zinc/50/23/46/1045502346.db2.gz HCFUMVSZKMYTQV-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1 ZINC001260569900 1045555472 /nfs/dbraw/zinc/55/54/72/1045555472.db2.gz JMSDNKXFCIAFAP-UHFFFAOYSA-N -1 3 388.533 3.851 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(OC)OC)cc2)cc1 ZINC001260577643 1045564078 /nfs/dbraw/zinc/56/40/78/1045564078.db2.gz SZTRKCCQDROKKG-UHFFFAOYSA-N -1 3 393.505 3.828 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC001260577417 1045564679 /nfs/dbraw/zinc/56/46/79/1045564679.db2.gz NOOKVLLMCLXZKF-UHFFFAOYSA-N -1 3 388.489 3.941 20 0 GHADHM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC001260626855 1045577793 /nfs/dbraw/zinc/57/77/93/1045577793.db2.gz GNBKVPGUAGBTBG-UHFFFAOYSA-N -1 3 398.459 3.698 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001297605940 1045585623 /nfs/dbraw/zinc/58/56/23/1045585623.db2.gz DZABJNVQEGUABD-GHMZBOCLSA-N -1 3 387.436 3.534 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)c1 ZINC001260811770 1045679476 /nfs/dbraw/zinc/67/94/76/1045679476.db2.gz HAIGZCOANUSWSD-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)c1 ZINC001260845034 1045708540 /nfs/dbraw/zinc/70/85/40/1045708540.db2.gz PSGVJSZIPUUYLH-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC001260888144 1045742846 /nfs/dbraw/zinc/74/28/46/1045742846.db2.gz MJKVLQXSJFOOCQ-SNVBAGLBSA-N -1 3 384.217 3.855 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001260896647 1045752318 /nfs/dbraw/zinc/75/23/18/1045752318.db2.gz PXIHTPKECJMJLL-UHFFFAOYSA-N -1 3 387.379 3.824 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001260897236 1045752907 /nfs/dbraw/zinc/75/29/07/1045752907.db2.gz HVYOTJMOYJVQLJ-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)ccc1F ZINC001260908951 1045763941 /nfs/dbraw/zinc/76/39/41/1045763941.db2.gz FXOHGQMBIRAMCA-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC001261020140 1045845907 /nfs/dbraw/zinc/84/59/07/1045845907.db2.gz UXTRRUVXVKSASI-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC001463040113 1070750718 /nfs/dbraw/zinc/75/07/18/1070750718.db2.gz LDLPKUQRXLJSOO-SFHVURJKSA-N -1 3 395.427 3.571 20 0 GHADHM O=C(CSCc1ccc(Br)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC001262806788 1046353907 /nfs/dbraw/zinc/35/39/07/1046353907.db2.gz OCMXFNMWXCMCMH-UHFFFAOYSA-N -1 3 393.266 3.699 20 0 GHADHM CC(C)(C)C(F)(F)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001301319234 1046483471 /nfs/dbraw/zinc/48/34/71/1046483471.db2.gz XMWANDVLZARVLA-UHFFFAOYSA-N -1 3 387.224 3.702 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC001463099603 1070793094 /nfs/dbraw/zinc/79/30/94/1070793094.db2.gz LJWJYFJWOLEKTM-GIPNMCIBSA-N -1 3 394.306 3.700 20 0 GHADHM Cc1cccc(CO[N-]C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001301635811 1046634123 /nfs/dbraw/zinc/63/41/23/1046634123.db2.gz TXZPNHBREQWBQE-NVXWUHKLSA-N -1 3 391.512 3.611 20 0 GHADHM Cc1cc2c(CCNC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)c[nH]c2cc1F ZINC001301678540 1046654431 /nfs/dbraw/zinc/65/44/31/1046654431.db2.gz LQQXBHTUNWICAF-UHFFFAOYSA-N -1 3 399.372 3.708 20 0 GHADHM Cc1nc(-c2nnc(N3CCCCCCC3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001263488093 1046884000 /nfs/dbraw/zinc/88/40/00/1046884000.db2.gz ZFJUCKZTQKUCNV-UHFFFAOYSA-N -1 3 384.509 3.629 20 0 GHADHM CCC(C)(C)CCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001302252052 1046888081 /nfs/dbraw/zinc/88/80/81/1046888081.db2.gz YTXRMLWMGSDOPO-UHFFFAOYSA-N -1 3 383.448 3.549 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1F ZINC000385879165 1047258678 /nfs/dbraw/zinc/25/86/78/1047258678.db2.gz LDDBFJBMGDLUIJ-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](c1nccn1C)c1ccc(F)cc1 ZINC001264287023 1047297493 /nfs/dbraw/zinc/29/74/93/1047297493.db2.gz HMGMRIPNJZXSSY-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001463185233 1070890951 /nfs/dbraw/zinc/89/09/51/1070890951.db2.gz IYXPQPVFQUHNNL-JTQLQIEISA-N -1 3 384.336 3.707 20 0 GHADHM 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CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001309150628 1050404811 /nfs/dbraw/zinc/40/48/11/1050404811.db2.gz YTQBPFBBGYIYSZ-OLZOCXBDSA-N -1 3 375.332 3.727 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)CCC2CCCCC2)s1 ZINC001309182504 1050441114 /nfs/dbraw/zinc/44/11/14/1050441114.db2.gz ODVFPEVSTSHYHH-LBPRGKRZSA-N -1 3 389.539 3.571 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)c(C)c1Cl ZINC001309190898 1050450884 /nfs/dbraw/zinc/45/08/84/1050450884.db2.gz ZGHCCCOFPNVLKV-FXPVBKGRSA-N -1 3 379.931 3.600 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCOc2cccc(C(C)(C)C)c2)c1 ZINC001309198837 1050461839 /nfs/dbraw/zinc/46/18/39/1050461839.db2.gz DYUBHUAGGRIXOJ-UHFFFAOYSA-N -1 3 382.913 3.698 20 0 GHADHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309238432 1050505657 /nfs/dbraw/zinc/50/56/57/1050505657.db2.gz QPMOLULLJQSLRT-HNNXBMFYSA-N -1 3 388.514 3.864 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2)c(F)cc1Br ZINC001309247805 1050516577 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384.517 3.666 20 0 GHADHM CC1(C)CC(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC(C)(C)C1 ZINC001320095999 1055652615 /nfs/dbraw/zinc/65/26/15/1055652615.db2.gz XINHUDYKFPONDH-UHFFFAOYSA-N -1 3 399.532 3.601 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001320782058 1055959275 /nfs/dbraw/zinc/95/92/75/1055959275.db2.gz HEUWNPZHZANDSA-UHFFFAOYSA-N -1 3 391.874 3.844 20 0 GHADHM CCOC(=O)c1c2c(sc1NC(=O)c1c[n-]c3ccccc3c1=O)CCCC2 ZINC001353913688 1056124962 /nfs/dbraw/zinc/12/49/62/1056124962.db2.gz ANNBGKYTPHOJQS-UHFFFAOYSA-N -1 3 396.468 3.897 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)n(-c2ccc(Cl)cc2)n1 ZINC001354001871 1056233602 /nfs/dbraw/zinc/23/36/02/1056233602.db2.gz CPNQNNHCHNVIDL-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC001321716279 1056370397 /nfs/dbraw/zinc/37/03/97/1056370397.db2.gz DLDMYDYALYHBPX-UHFFFAOYSA-N -1 3 377.444 3.683 20 0 GHADHM CCN(CC)c1ccc2nc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)sc2c1 ZINC000848092010 1056602293 /nfs/dbraw/zinc/60/22/93/1056602293.db2.gz GSKHBNMGVOGGPM-UHFFFAOYSA-N -1 3 383.477 3.768 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC001323263822 1056946416 /nfs/dbraw/zinc/94/64/16/1056946416.db2.gz NMTOMPRGGHBOIN-QMMMGPOBSA-N -1 3 377.894 3.668 20 0 GHADHM O=S(=O)([N-][C@]1(C(F)(F)F)CCc2ccccc21)c1c[nH]c(C(F)(F)F)c1 ZINC001324000729 1057052767 /nfs/dbraw/zinc/05/27/67/1057052767.db2.gz KCSZKVIZQMXPOV-CYBMUJFWSA-N -1 3 398.328 3.716 20 0 GHADHM COc1cccc(C[C@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001355254454 1057097088 /nfs/dbraw/zinc/09/70/88/1057097088.db2.gz JTPSDXSGGUEMPX-CQSZACIVSA-N -1 3 398.409 3.662 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c(C)c1 ZINC001325831967 1057370863 /nfs/dbraw/zinc/37/08/63/1057370863.db2.gz FGARWYHFOANJOG-UHFFFAOYSA-N -1 3 388.420 3.512 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1c(C)noc1C ZINC001326516631 1057502423 /nfs/dbraw/zinc/50/24/23/1057502423.db2.gz JIXNTGSZGLDUFL-VIFPVBQESA-N -1 3 397.806 3.788 20 0 GHADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2c(Cl)cc(Cl)cc2Cl)o1 ZINC001356554011 1057546778 /nfs/dbraw/zinc/54/67/78/1057546778.db2.gz MMOQHXDCNZSFLJ-UHFFFAOYSA-N -1 3 397.667 3.742 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C=Cc3cccc(OCC)c3)nc21 ZINC001439999739 1058382728 /nfs/dbraw/zinc/38/27/28/1058382728.db2.gz UFDVSYBDIJNCAU-VAWYXSNFSA-N -1 3 379.416 3.790 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)c3cc(C)cs3)[n-]c2c(Br)c1 ZINC001440031311 1058394562 /nfs/dbraw/zinc/39/45/62/1058394562.db2.gz ZUPQHKMBEYDUAT-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)nn1-c1ccccc1 ZINC001338207737 1058451721 /nfs/dbraw/zinc/45/17/21/1058451721.db2.gz HWVPXNRKQVTWQC-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1 ZINC001338363944 1058530618 /nfs/dbraw/zinc/53/06/18/1058530618.db2.gz FHBKYAZKWIOAFC-UHFFFAOYSA-N -1 3 388.420 3.594 20 0 GHADHM O=C(c1ccc(F)c([O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440722703 1058599810 /nfs/dbraw/zinc/59/98/10/1058599810.db2.gz NJOHNRILLILKIR-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM CC(C)N(C)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001338994848 1058918209 /nfs/dbraw/zinc/91/82/09/1058918209.db2.gz CCHZSIJVHGMNTI-UHFFFAOYSA-N -1 3 395.912 3.808 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cc(-c2ccccc2)nn1CC(C)C ZINC001339032300 1058931889 /nfs/dbraw/zinc/93/18/89/1058931889.db2.gz IVMFZTSSBXDUDG-UHFFFAOYSA-N -1 3 379.464 3.581 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001442934028 1059031764 /nfs/dbraw/zinc/03/17/64/1059031764.db2.gz PWOACPYFQNLMTJ-LLVKDONJSA-N -1 3 382.869 3.671 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001443454905 1059134711 /nfs/dbraw/zinc/13/47/11/1059134711.db2.gz YOTKTPQJXZQKIA-PKNBQFBNSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001443454905 1059134716 /nfs/dbraw/zinc/13/47/16/1059134716.db2.gz YOTKTPQJXZQKIA-PKNBQFBNSA-N -1 3 388.258 3.893 20 0 GHADHM CCCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC001443978626 1059243555 /nfs/dbraw/zinc/24/35/55/1059243555.db2.gz OQAQPNCWFOKFAL-GFCCVEGCSA-N -1 3 394.990 3.791 20 0 GHADHM COCCCOc1cc(C)ccc1CNC(=O)c1cc(SC)ccc1[O-] ZINC001445571721 1059565695 /nfs/dbraw/zinc/56/56/95/1059565695.db2.gz OFBJCKUOVBTPKR-UHFFFAOYSA-N -1 3 375.490 3.768 20 0 GHADHM O=C(Cc1ccc(C2CCCCC2)cc1)NCCNC(=O)c1ccc([O-])cc1 ZINC001445944587 1059662265 /nfs/dbraw/zinc/66/22/65/1059662265.db2.gz SIMVAUAOJGVGAG-UHFFFAOYSA-N -1 3 380.488 3.529 20 0 GHADHM O=C(NC[C@H]1COC2(CCCC2)O1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001446847689 1059883095 /nfs/dbraw/zinc/88/30/95/1059883095.db2.gz IYASBXPWDOMNHA-IBGZPJMESA-N -1 3 381.472 3.593 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCO1 ZINC001446979524 1059911510 /nfs/dbraw/zinc/91/15/10/1059911510.db2.gz GPHMHOYZDMOREP-CXAGYDPISA-N -1 3 378.419 3.520 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C1CCCCCC1 ZINC001447506602 1059973487 /nfs/dbraw/zinc/97/34/87/1059973487.db2.gz MGHYTUJWFMWKMF-HNNXBMFYSA-N -1 3 382.508 3.548 20 0 GHADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1cc2ccccc2o1 ZINC001447719041 1060006919 /nfs/dbraw/zinc/00/69/19/1060006919.db2.gz OPMPYONFQFHHOW-LLVKDONJSA-N -1 3 392.864 3.949 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001447767403 1060026083 /nfs/dbraw/zinc/02/60/83/1060026083.db2.gz ZARKZTHGVGHGKT-SNVBAGLBSA-N -1 3 392.249 3.857 20 0 GHADHM O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1cc(Cl)ccc1[O-] ZINC001546000266 1060026358 /nfs/dbraw/zinc/02/63/58/1060026358.db2.gz ILBIMHLVRGBGPF-LLVKDONJSA-N -1 3 395.640 3.873 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001447971720 1060075988 /nfs/dbraw/zinc/07/59/88/1060075988.db2.gz YOMICUKHHVSQDH-OLZOCXBDSA-N -1 3 380.510 3.680 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC001448179277 1060127427 /nfs/dbraw/zinc/12/74/27/1060127427.db2.gz TUFBGAUPOGQSJM-LJQANCHMSA-N -1 3 377.893 3.899 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001448538553 1060212344 /nfs/dbraw/zinc/21/23/44/1060212344.db2.gz KLPLCQJLXMIKFO-BJOHPYRUSA-N -1 3 394.299 3.510 20 0 GHADHM COCOc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1 ZINC001448684106 1060245795 /nfs/dbraw/zinc/24/57/95/1060245795.db2.gz IHKGPLUNUIUWHN-UHFFFAOYSA-N -1 3 380.400 3.607 20 0 GHADHM O=C(Nc1cccc2c1CCO2)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001448874072 1060287293 /nfs/dbraw/zinc/28/72/93/1060287293.db2.gz PVINBWZAHZFQLM-UHFFFAOYSA-N -1 3 390.317 3.614 20 0 GHADHM C[C@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)N(C)C ZINC001449132716 1060335657 /nfs/dbraw/zinc/33/56/57/1060335657.db2.gz MWASTAVFGPWBCH-SNVBAGLBSA-N -1 3 396.274 3.840 20 0 GHADHM C[C@@H](O)c1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccc1F ZINC001449170290 1060345622 /nfs/dbraw/zinc/34/56/22/1060345622.db2.gz SIENZJZISDVBFQ-SECBINFHSA-N -1 3 381.429 3.935 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001449183204 1060349499 /nfs/dbraw/zinc/34/94/99/1060349499.db2.gz ASLYPSVSWINVAD-LMMKCTJWSA-N -1 3 397.519 3.772 20 0 GHADHM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001449267077 1060369178 /nfs/dbraw/zinc/36/91/78/1060369178.db2.gz UAQFXWVJNGZBEY-LIRRHRJNSA-N -1 3 393.405 3.969 20 0 GHADHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001450105533 1060529666 /nfs/dbraw/zinc/52/96/66/1060529666.db2.gz YBNYBYXWQPVACK-HXUWFJFHSA-N -1 3 384.451 3.971 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC001450225721 1060554842 /nfs/dbraw/zinc/55/48/42/1060554842.db2.gz IRBCLMGVLXXGLA-GOSISDBHSA-N -1 3 380.831 3.728 20 0 GHADHM Cc1cc(CC(C)(C)NC(=O)c2ccc(O)cc2[O-])ccc1Br ZINC001450554823 1060622164 /nfs/dbraw/zinc/62/21/64/1060622164.db2.gz ORBBACUYVJMOEJ-UHFFFAOYSA-N -1 3 378.266 3.920 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCCCC(=O)[N-]OCc2ccccn2)CC1 ZINC001451088838 1060735535 /nfs/dbraw/zinc/73/55/35/1060735535.db2.gz GGRRARIADMSADL-UHFFFAOYSA-N -1 3 391.512 3.837 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3nc(-c4ccccc4)oc3C(C)C)c2c(=O)n1C ZINC001452053794 1060892395 /nfs/dbraw/zinc/89/23/95/1060892395.db2.gz VHKFMKCZQHOJGE-UHFFFAOYSA-N -1 3 391.431 3.601 20 0 GHADHM CCc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c([O-])c1 ZINC001452982602 1061056759 /nfs/dbraw/zinc/05/67/59/1061056759.db2.gz DPZNBVUNJOSZOF-QGZVFWFLSA-N -1 3 390.277 3.931 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001453156426 1061082860 /nfs/dbraw/zinc/08/28/60/1061082860.db2.gz FGCXIOFVKWVZLK-CYBMUJFWSA-N -1 3 398.260 3.728 20 0 GHADHM O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001453773872 1061203177 /nfs/dbraw/zinc/20/31/77/1061203177.db2.gz HNQMYVQORGWXPC-UHFFFAOYSA-N -1 3 389.337 3.721 20 0 GHADHM O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001454255580 1061670511 /nfs/dbraw/zinc/67/05/11/1061670511.db2.gz OHMRGJJHRDLKLF-UHFFFAOYSA-N -1 3 377.396 3.630 20 0 GHADHM CCCc1sc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1Br ZINC001454406553 1061765018 /nfs/dbraw/zinc/76/50/18/1061765018.db2.gz GWWIECQRXGFJRX-UHFFFAOYSA-N -1 3 392.282 3.896 20 0 GHADHM CCCc1sc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1Br ZINC001454406553 1061765029 /nfs/dbraw/zinc/76/50/29/1061765029.db2.gz GWWIECQRXGFJRX-UHFFFAOYSA-N -1 3 392.282 3.896 20 0 GHADHM O=C([N-]Cc1cccc(Cl)c1F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001361267174 1061775349 /nfs/dbraw/zinc/77/53/49/1061775349.db2.gz FRHIFFGZOSJXFB-UHFFFAOYSA-N -1 3 380.757 3.603 20 0 GHADHM C[C@@H](C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 ZINC001454923465 1061956530 /nfs/dbraw/zinc/95/65/30/1061956530.db2.gz PIDWTJNXVOKYGR-ZBFHGGJFSA-N -1 3 390.405 3.989 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c(Cl)c1 ZINC001347067871 1062086486 /nfs/dbraw/zinc/08/64/86/1062086486.db2.gz DZQIIFXGIGNWHV-UHFFFAOYSA-N -1 3 398.834 3.516 20 0 GHADHM COc1ccc(C2CC2)cc1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001455285191 1062091033 /nfs/dbraw/zinc/09/10/33/1062091033.db2.gz RXXOGCMVENVHBT-UHFFFAOYSA-N -1 3 382.847 3.998 20 0 GHADHM COc1ccccc1C(C)(C)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001435057193 1062252240 /nfs/dbraw/zinc/25/22/40/1062252240.db2.gz YJCMDZCDCOGIPF-UHFFFAOYSA-N -1 3 399.235 3.996 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C[C@H](C)c3ccc(C(C)C)cc3)C2)n1 ZINC001347307142 1062285758 /nfs/dbraw/zinc/28/57/58/1062285758.db2.gz XTIOKVOOMPQKOM-KXBFYZLASA-N -1 3 382.508 3.503 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC1CCCC1 ZINC001435370253 1062549302 /nfs/dbraw/zinc/54/93/02/1062549302.db2.gz ZWSWCUDEUXZRKW-JTQLQIEISA-N -1 3 390.224 3.531 20 0 GHADHM O=C([N-]c1nc2c(s1)CCCC2=O)c1nc(Br)sc1Cl ZINC001347683278 1062570391 /nfs/dbraw/zinc/57/03/91/1062570391.db2.gz PVJPTSOJUVHALH-UHFFFAOYSA-N -1 3 392.687 3.787 20 0 GHADHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)o1 ZINC001456246753 1062574887 /nfs/dbraw/zinc/57/48/87/1062574887.db2.gz GJRMWHXMJIBERN-FNORWQNLSA-N -1 3 383.429 3.853 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385990 1062653029 /nfs/dbraw/zinc/65/30/29/1062653029.db2.gz AARGEYNBSYHZRU-QMZLHQMTSA-N -1 3 382.386 3.891 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385666 1062653478 /nfs/dbraw/zinc/65/34/78/1062653478.db2.gz PRVCAYLDRXILOX-CABZTGNLSA-N -1 3 390.793 3.758 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001348178551 1062946746 /nfs/dbraw/zinc/94/67/46/1062946746.db2.gz KCEUXTISTVZMIH-LJQANCHMSA-N -1 3 390.491 3.809 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc3c2OCC3(C)C)c(C(=O)OCC)[n-]1 ZINC001435887197 1062981822 /nfs/dbraw/zinc/98/18/22/1062981822.db2.gz OVUMOHZIBQTTBI-UHFFFAOYSA-N -1 3 385.464 3.851 20 0 GHADHM CCCCc1nc(NC(=O)C=C(C)c2ccccc2OC)c(C(=O)OCC)[n-]1 ZINC001435886652 1062982172 /nfs/dbraw/zinc/98/21/72/1062982172.db2.gz FBULYMTWXZHSAR-BUHFOSPRSA-N -1 3 385.464 3.980 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3COc4cc(F)ccc4C3)n[n-]2)cc1 ZINC001457162323 1062994507 /nfs/dbraw/zinc/99/45/07/1062994507.db2.gz DCCAZYNEYOYRDU-OAHLLOKOSA-N -1 3 398.463 3.734 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001457968290 1063473983 /nfs/dbraw/zinc/47/39/83/1063473983.db2.gz LYFLJMTYESOSIF-HXUWFJFHSA-N -1 3 386.451 3.691 20 0 GHADHM O=C([N-]c1cc(-c2nn[nH]n2)ccc1F)c1cc(-c2ccccc2Cl)on1 ZINC001436649444 1063594000 /nfs/dbraw/zinc/59/40/00/1063594000.db2.gz NYTKJURTYYXADW-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(Cl)ccnc1Br ZINC001349423087 1063712369 /nfs/dbraw/zinc/71/23/69/1063712369.db2.gz JMZLCBOFCLSKGQ-UHFFFAOYSA-N -1 3 384.665 3.847 20 0 GHADHM O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1c[n-]c2ccccc2c1=O ZINC001349519697 1063766724 /nfs/dbraw/zinc/76/67/24/1063766724.db2.gz VRJAQXOMRDROGW-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(CN2CCCCC2)o1 ZINC001437470994 1063867315 /nfs/dbraw/zinc/86/73/15/1063867315.db2.gz SJFUAOCROBAWEC-UHFFFAOYSA-N -1 3 382.489 3.960 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001349909243 1063940155 /nfs/dbraw/zinc/94/01/55/1063940155.db2.gz SZPIXFDKRMNPCS-NZQKXSOJSA-N -1 3 386.536 3.829 20 0 GHADHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3c4c(ccc3F)OCO4)no2)c1 ZINC001438700156 1064100181 /nfs/dbraw/zinc/10/01/81/1064100181.db2.gz DRLSAVGKZPUIPH-UHFFFAOYSA-N -1 3 398.346 3.576 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@@H]2C)s1 ZINC001463472543 1064385319 /nfs/dbraw/zinc/38/53/19/1064385319.db2.gz NGBZNWXNBAMSOD-YVEFUNNKSA-N -1 3 379.503 3.527 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2csnc2-c2ccccc2)s1 ZINC001463483468 1064393873 /nfs/dbraw/zinc/39/38/73/1064393873.db2.gz MFMUQJDOUVHXEQ-NSHDSACASA-N -1 3 379.532 3.657 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](OCc3ccccc3)C2(C)C)c(F)cc1F ZINC001463559700 1064460196 /nfs/dbraw/zinc/46/01/96/1064460196.db2.gz BXVJJXPOALMOGE-OALUTQOASA-N -1 3 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COC(=O)c1ccc(C(=O)Nc2ccc(Sc3cccc(OC)c3)cn2)[n-]1 ZINC001469759052 1068365990 /nfs/dbraw/zinc/36/59/90/1068365990.db2.gz NEGNMFIECSSMNS-UHFFFAOYSA-N -1 3 383.429 3.608 20 0 GHADHM COc1ccc(Br)c2sc([N-]C(=O)c3cc(Cl)no3)nc21 ZINC001470065549 1068551929 /nfs/dbraw/zinc/55/19/29/1068551929.db2.gz LCWWGFOJYKXEFL-UHFFFAOYSA-N -1 3 388.630 3.961 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)c(OCC(F)F)c1 ZINC001470256816 1068649197 /nfs/dbraw/zinc/64/91/97/1068649197.db2.gz APXDOIPTFLULBF-UHFFFAOYSA-N -1 3 385.750 3.728 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC001460133488 1068800727 /nfs/dbraw/zinc/80/07/27/1068800727.db2.gz LUOUPQWIRRAJSF-NEPJUHHUSA-N -1 3 394.368 3.539 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(F)c(Br)cc2F)nn1-c1ccccc1 ZINC001460273909 1068901076 /nfs/dbraw/zinc/90/10/76/1068901076.db2.gz ZPRKFVVVBSAHSB-UHFFFAOYSA-N -1 3 393.191 3.869 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC001460560339 1068996385 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COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cccn1C(C)C ZINC001471033188 1072893642 /nfs/dbraw/zinc/89/36/42/1072893642.db2.gz ARLMYBQVVTYLJH-UHFFFAOYSA-N -1 3 381.436 3.614 20 0 GHADHM O=C([N-]c1ccc(F)c(C(=O)c2ccccc2)c1)c1nnc(-c2ccco2)o1 ZINC001471284172 1072998191 /nfs/dbraw/zinc/99/81/91/1072998191.db2.gz JQGCOKFXDDGHPX-UHFFFAOYSA-N -1 3 377.331 3.952 20 0 GHADHM CCOc1nnc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[n-]1 ZINC001471297337 1073003569 /nfs/dbraw/zinc/00/35/69/1073003569.db2.gz MMMNKLOPMRPZPO-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM CCOc1nc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n[n-]1 ZINC001471297337 1073003575 /nfs/dbraw/zinc/00/35/75/1073003575.db2.gz MMMNKLOPMRPZPO-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM CCOc1n[n-]c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 ZINC001471297337 1073003582 /nfs/dbraw/zinc/00/35/82/1073003582.db2.gz MMMNKLOPMRPZPO-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001471298811 1073004052 /nfs/dbraw/zinc/00/40/52/1073004052.db2.gz XLPRWWGWBUINOC-FQEVSTJZSA-N -1 3 382.504 3.725 20 0 GHADHM CCOC(=O)/C=C\c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001471398339 1073052358 /nfs/dbraw/zinc/05/23/58/1073052358.db2.gz MUDOYPSUVVHLLR-YVMONPNESA-N -1 3 390.233 3.983 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471810947 1073224414 /nfs/dbraw/zinc/22/44/14/1073224414.db2.gz JDKCRHBONFAHBG-HNNXBMFYSA-N -1 3 376.460 3.595 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001471909986 1073256164 /nfs/dbraw/zinc/25/61/64/1073256164.db2.gz AILFAZNKVOVQDP-XYZCENFISA-N -1 3 386.320 3.611 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC001472109662 1073336373 /nfs/dbraw/zinc/33/63/73/1073336373.db2.gz TWJSXVJMFPDPHX-BDAKNGLRSA-N -1 3 388.777 3.563 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1OC1CCCC1 ZINC001472109700 1073336907 /nfs/dbraw/zinc/33/69/07/1073336907.db2.gz USHWRPLIJZOFGV-JTQLQIEISA-N -1 3 398.385 3.645 20 0 GHADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241608 1073379982 /nfs/dbraw/zinc/37/99/82/1073379982.db2.gz UBZGSRGTASVBPG-UHFFFAOYSA-N -1 3 393.230 3.664 20 0 GHADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241608 1073379986 /nfs/dbraw/zinc/37/99/86/1073379986.db2.gz UBZGSRGTASVBPG-UHFFFAOYSA-N -1 3 393.230 3.664 20 0 GHADHM Cc1nc(C2CCC2)sc1CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288832 1073401803 /nfs/dbraw/zinc/40/18/03/1073401803.db2.gz LVWNMSBASOMYJU-CTYIDZIISA-N -1 3 386.521 3.600 20 0 GHADHM C[S@@](=O)(=NC(=O)c1cc(F)cc2[nH]c(=S)[n-]c21)c1cccc(Cl)c1 ZINC001472337348 1073432442 /nfs/dbraw/zinc/43/24/42/1073432442.db2.gz ODPAJTNUZWWRIO-DEOSSOPVSA-N -1 3 383.857 3.941 20 0 GHADHM Cc1ncc(NC(=O)c2cc([O-])cc(Br)c2)cc1Br ZINC001472419610 1073477878 /nfs/dbraw/zinc/47/78/78/1073477878.db2.gz RDTAMUUNCXTLRV-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM Cc1noc([C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C(C)C)n1 ZINC001472447906 1073494196 /nfs/dbraw/zinc/49/41/96/1073494196.db2.gz KTYPGVZRWRYNNB-FQEVSTJZSA-N -1 3 379.460 3.996 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c(=O)c2c1 ZINC001472487915 1073507864 /nfs/dbraw/zinc/50/78/64/1073507864.db2.gz UGGFPPRAIINLOP-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3csc(-c4ccc(F)cc4)n3)c2c1=O ZINC001472584962 1073561349 /nfs/dbraw/zinc/56/13/49/1073561349.db2.gz HQNRUSXJCYBCFE-UHFFFAOYSA-N -1 3 397.435 3.568 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1cc(F)ccc1OC ZINC001472622993 1073582272 /nfs/dbraw/zinc/58/22/72/1073582272.db2.gz RNJWPENCDIMSGD-INIZCTEOSA-N -1 3 390.361 3.835 20 0 GHADHM CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001472622757 1073582500 /nfs/dbraw/zinc/58/25/00/1073582500.db2.gz NRYSMQJNIZPGLK-GOSISDBHSA-N -1 3 386.879 3.570 20 0 GHADHM Fc1cc(Br)cc([C@@H](CC2CC2)N=c2ncnc3[nH][n-]cc2-3)c1 ZINC001472762619 1073654523 /nfs/dbraw/zinc/65/45/23/1073654523.db2.gz HOSZIADLZJJZCF-CQSZACIVSA-N -1 3 376.233 3.581 20 0 GHADHM COC(=O)c1cnc(SCCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[n-]1 ZINC001473019274 1073752328 /nfs/dbraw/zinc/75/23/28/1073752328.db2.gz OISKJBUSRVBJSP-AGUYFDCRSA-N -1 3 395.525 3.857 20 0 GHADHM CCOC(=O)[C@@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c2ccccc21 ZINC001473390803 1073947020 /nfs/dbraw/zinc/94/70/20/1073947020.db2.gz HADYHMTXTCDGPC-LJQANCHMSA-N -1 3 389.455 3.906 20 0 GHADHM O=C([N-][C@@H]1CN(CCc2cccc(F)c2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001473656872 1074070899 /nfs/dbraw/zinc/07/08/99/1074070899.db2.gz ZZCJKTJVGGXCQT-RTBURBONSA-N -1 3 394.412 3.905 20 0 GHADHM CCOc1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC001474452140 1074412664 /nfs/dbraw/zinc/41/26/64/1074412664.db2.gz HRYQHDVJVPOZEF-CQSZACIVSA-N -1 3 384.904 3.933 20 0 GHADHM CC(C)N(Cc1cccc([O-])c1Br)C[C@@H](O)COc1ccccc1 ZINC001474480454 1074425432 /nfs/dbraw/zinc/42/54/32/1074425432.db2.gz YOUFPGYJAYUGSS-MRXNPFEDSA-N -1 3 394.309 3.805 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)c2ccccc2N(C)C1=O ZINC001474557570 1074462489 /nfs/dbraw/zinc/46/24/89/1074462489.db2.gz KOZQTOSYVIGUBT-LBPRGKRZSA-N -1 3 375.266 3.774 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCCC1)c1cccc(Br)c1F ZINC001474794898 1074567821 /nfs/dbraw/zinc/56/78/21/1074567821.db2.gz DIUQETBHTVJNSZ-UHFFFAOYSA-N -1 3 394.306 3.606 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)c(F)c1F ZINC001474810360 1074574233 /nfs/dbraw/zinc/57/42/33/1074574233.db2.gz UTVYOBHXBZGQGQ-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC001474978496 1074664591 /nfs/dbraw/zinc/66/45/91/1074664591.db2.gz JPJCXOWWMSZYPP-QGZVFWFLSA-N -1 3 399.541 3.757 20 0 GHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCC1 ZINC001475179827 1074772521 /nfs/dbraw/zinc/77/25/21/1074772521.db2.gz NEQKLVSDQUUXHF-UHFFFAOYSA-N -1 3 381.444 3.682 20 0 GHADHM COC1CCC([N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)CC1 ZINC001475378304 1074853850 /nfs/dbraw/zinc/85/38/50/1074853850.db2.gz LKTRCJDCANQJLW-UHFFFAOYSA-N -1 3 396.734 3.647 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC001475457370 1074881838 /nfs/dbraw/zinc/88/18/38/1074881838.db2.gz UXCQUEILUHXAQX-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cc(Cl)ccc1F ZINC001475584901 1074920824 /nfs/dbraw/zinc/92/08/24/1074920824.db2.gz SZEDJXJSASZYKR-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM CC1(C)CO[C@@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC001475667083 1074996343 /nfs/dbraw/zinc/99/63/43/1074996343.db2.gz AQHQJVUYGWEGDQ-JTQLQIEISA-N -1 3 396.734 3.586 20 0 GHADHM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3cc(C)sc3C)on2)c1 ZINC001475719968 1075008014 /nfs/dbraw/zinc/00/80/14/1075008014.db2.gz GMVKFRNCQOVNSC-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM COC(=O)C[C@@H](O)CSc1nnc([N-]c2c(C)cc(C)cc2Cl)s1 ZINC000610509979 566084873 /nfs/dbraw/zinc/08/48/73/566084873.db2.gz BQEVNJRBCCEUNI-SNVBAGLBSA-N -1 3 387.914 3.568 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736480510 598823228 /nfs/dbraw/zinc/82/32/28/598823228.db2.gz QSESSBAMPGAQCN-ZHACJKMWSA-N -1 3 379.439 3.500 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736480510 598823229 /nfs/dbraw/zinc/82/32/29/598823229.db2.gz QSESSBAMPGAQCN-ZHACJKMWSA-N -1 3 379.439 3.500 20 0 GHADHM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1sccc1-c1nn[n-]n1 ZINC000738035123 598823833 /nfs/dbraw/zinc/82/38/33/598823833.db2.gz JNYDIBHTIBQEDP-LLVKDONJSA-N -1 3 380.260 3.652 20 0 GHADHM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1sccc1-c1nnn[n-]1 ZINC000738035123 598823832 /nfs/dbraw/zinc/82/38/32/598823832.db2.gz JNYDIBHTIBQEDP-LLVKDONJSA-N -1 3 380.260 3.652 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1csc(C2CCCC2)n1 ZINC000737523069 598824943 /nfs/dbraw/zinc/82/49/43/598824943.db2.gz GOAVNYSIDCFJOK-UHFFFAOYSA-N -1 3 392.492 3.596 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1csc(C2CCCC2)n1 ZINC000737523069 598824944 /nfs/dbraw/zinc/82/49/44/598824944.db2.gz GOAVNYSIDCFJOK-UHFFFAOYSA-N -1 3 392.492 3.596 20 0 GHADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000737312243 598834016 /nfs/dbraw/zinc/83/40/16/598834016.db2.gz HCDLRAUWIOQCFZ-UHFFFAOYSA-N -1 3 381.486 3.895 20 0 GHADHM Cc1ccc(CC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000737330641 598834288 /nfs/dbraw/zinc/83/42/88/598834288.db2.gz RQXKJWKQGJQUJO-UHFFFAOYSA-N -1 3 389.484 3.763 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000735830095 598839276 /nfs/dbraw/zinc/83/92/76/598839276.db2.gz CXRHRADHVFJKJS-FRQCXROJSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000735830095 598839278 /nfs/dbraw/zinc/83/92/78/598839278.db2.gz CXRHRADHVFJKJS-FRQCXROJSA-N -1 3 384.528 3.859 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2coc3ccccc23)c1C ZINC000737503253 598840317 /nfs/dbraw/zinc/84/03/17/598840317.db2.gz FUFXXKYWVGKYHR-UHFFFAOYSA-N -1 3 399.414 3.668 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H]2CCCC[C@@H]2C)c1C ZINC000737502647 598840384 /nfs/dbraw/zinc/84/03/84/598840384.db2.gz GRXUWVPQWGCUBF-GUYCJALGSA-N -1 3 393.495 3.824 20 0 GHADHM CC(C)[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000735734501 598855278 /nfs/dbraw/zinc/85/52/78/598855278.db2.gz MHASNCLPQQTJPR-HXUWFJFHSA-N -1 3 395.463 3.751 20 0 GHADHM CC(C)[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000735734501 598855279 /nfs/dbraw/zinc/85/52/79/598855279.db2.gz MHASNCLPQQTJPR-HXUWFJFHSA-N -1 3 395.463 3.751 20 0 GHADHM Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OCCC(C)C ZINC000737360839 598887591 /nfs/dbraw/zinc/88/75/91/598887591.db2.gz CPKWGBTVMRMCKD-UHFFFAOYSA-N -1 3 391.479 3.860 20 0 GHADHM Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OCCC(C)C ZINC000737360839 598887593 /nfs/dbraw/zinc/88/75/93/598887593.db2.gz CPKWGBTVMRMCKD-UHFFFAOYSA-N -1 3 391.479 3.860 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735750172 598889981 /nfs/dbraw/zinc/88/99/81/598889981.db2.gz QDSJOBIPDUZOKN-MRXNPFEDSA-N -1 3 396.520 3.925 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)c1ccccc1F ZINC000738385955 598902624 /nfs/dbraw/zinc/90/26/24/598902624.db2.gz JTRJCQXTBXMHPO-GOSISDBHSA-N -1 3 393.447 3.894 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)c1ccccc1F ZINC000738385955 598902626 /nfs/dbraw/zinc/90/26/26/598902626.db2.gz JTRJCQXTBXMHPO-GOSISDBHSA-N -1 3 393.447 3.894 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736686170 598906167 /nfs/dbraw/zinc/90/61/67/598906167.db2.gz OGJFGSWZLXWDRR-SFHVURJKSA-N -1 3 394.479 3.849 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736686170 598906169 /nfs/dbraw/zinc/90/61/69/598906169.db2.gz OGJFGSWZLXWDRR-SFHVURJKSA-N -1 3 394.479 3.849 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924778 598911197 /nfs/dbraw/zinc/91/11/97/598911197.db2.gz UNPSBECGAQIJGY-WOJBJXKFSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924778 598911199 /nfs/dbraw/zinc/91/11/99/598911199.db2.gz UNPSBECGAQIJGY-WOJBJXKFSA-N -1 3 375.476 3.752 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736404803 598923005 /nfs/dbraw/zinc/92/30/05/598923005.db2.gz BEMVKCXWMADPOE-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736404803 598923008 /nfs/dbraw/zinc/92/30/08/598923008.db2.gz BEMVKCXWMADPOE-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM CC(C)CCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735797396 598926068 /nfs/dbraw/zinc/92/60/68/598926068.db2.gz OMACHPSNAFIRAJ-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC(C)CCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735797396 598926069 /nfs/dbraw/zinc/92/60/69/598926069.db2.gz OMACHPSNAFIRAJ-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736787792 598928439 /nfs/dbraw/zinc/92/84/39/598928439.db2.gz FLQVVLIHOONNPR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736787792 598928440 /nfs/dbraw/zinc/92/84/40/598928440.db2.gz FLQVVLIHOONNPR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM O=C(c1cccc(COc2ccccc2-c2nnn[n-]2)c1)N1Cc2ccccc2C1 ZINC000738274270 598928816 /nfs/dbraw/zinc/92/88/16/598928816.db2.gz RELVKGMCUUTQIC-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM O=C(c1cccc(COc2ccccc2-c2nn[n-]n2)c1)N1Cc2ccccc2C1 ZINC000738274270 598928817 /nfs/dbraw/zinc/92/88/17/598928817.db2.gz RELVKGMCUUTQIC-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nc2ccccc2s1 ZINC000737032320 598938383 /nfs/dbraw/zinc/93/83/83/598938383.db2.gz KRALIIZPZLLHEJ-UHFFFAOYSA-N -1 3 385.474 3.656 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nc2ccccc2s1 ZINC000737032320 598938384 /nfs/dbraw/zinc/93/83/84/598938384.db2.gz KRALIIZPZLLHEJ-UHFFFAOYSA-N -1 3 385.474 3.656 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736401478 598942513 /nfs/dbraw/zinc/94/25/13/598942513.db2.gz XPWRWVSECQWACL-HUUCEWRRSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736401478 598942514 /nfs/dbraw/zinc/94/25/14/598942514.db2.gz XPWRWVSECQWACL-HUUCEWRRSA-N -1 3 395.463 3.737 20 0 GHADHM CC(C)C[C@@H]1CCCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735795947 598943627 /nfs/dbraw/zinc/94/36/27/598943627.db2.gz PRAFDGDHLFMJRS-SFHVURJKSA-N -1 3 387.553 3.917 20 0 GHADHM CC(C)C[C@@H]1CCCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735795947 598943628 /nfs/dbraw/zinc/94/36/28/598943628.db2.gz PRAFDGDHLFMJRS-SFHVURJKSA-N -1 3 387.553 3.917 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736202675 598944526 /nfs/dbraw/zinc/94/45/26/598944526.db2.gz KOHZAFADWIHXQI-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736202675 598944527 /nfs/dbraw/zinc/94/45/27/598944527.db2.gz KOHZAFADWIHXQI-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc2ccccc2n1C1CCCC1 ZINC000737802099 598946054 /nfs/dbraw/zinc/94/60/54/598946054.db2.gz OOYZFYFNLLBEEI-BUHFOSPRSA-N -1 3 399.458 3.983 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc2ccccc2n1C1CCCC1 ZINC000737802099 598946055 /nfs/dbraw/zinc/94/60/55/598946055.db2.gz OOYZFYFNLLBEEI-BUHFOSPRSA-N -1 3 399.458 3.983 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114594 598962768 /nfs/dbraw/zinc/96/27/68/598962768.db2.gz UXHRHARUDAVZNO-NEPJUHHUSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114594 598962769 /nfs/dbraw/zinc/96/27/69/598962769.db2.gz UXHRHARUDAVZNO-NEPJUHHUSA-N -1 3 393.476 3.598 20 0 GHADHM N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000115323634 598980133 /nfs/dbraw/zinc/98/01/33/598980133.db2.gz QKJFVAHBEPPKTD-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000115323634 598980134 /nfs/dbraw/zinc/98/01/34/598980134.db2.gz QKJFVAHBEPPKTD-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736257023 598987739 /nfs/dbraw/zinc/98/77/39/598987739.db2.gz ZSTHFBJFYNVBKS-DNVCBOLYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736257023 598987741 /nfs/dbraw/zinc/98/77/41/598987741.db2.gz ZSTHFBJFYNVBKS-DNVCBOLYSA-N -1 3 391.475 3.754 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736326031 598997027 /nfs/dbraw/zinc/99/70/27/598997027.db2.gz BASLRRNVWGRHEC-GJZGRUSLSA-N -1 3 379.464 3.610 20 0 GHADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1Oc1ccncc1 ZINC000737309589 598997824 /nfs/dbraw/zinc/99/78/24/598997824.db2.gz SVNVHERINGFPSN-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM Cc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1Oc1ccncc1 ZINC000737309589 598997826 /nfs/dbraw/zinc/99/78/26/598997826.db2.gz SVNVHERINGFPSN-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM CC(C)[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736184556 599007459 /nfs/dbraw/zinc/00/74/59/599007459.db2.gz LSWGWIADESOZIM-UGSOOPFHSA-N -1 3 399.882 3.801 20 0 GHADHM CC(C)[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736184556 599007462 /nfs/dbraw/zinc/00/74/62/599007462.db2.gz LSWGWIADESOZIM-UGSOOPFHSA-N -1 3 399.882 3.801 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000735830054 599014833 /nfs/dbraw/zinc/01/48/33/599014833.db2.gz AZYVUAKVXMSWTK-HXUWFJFHSA-N -1 3 389.503 3.971 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000735830054 599014835 /nfs/dbraw/zinc/01/48/35/599014835.db2.gz AZYVUAKVXMSWTK-HXUWFJFHSA-N -1 3 389.503 3.971 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737819140 599016088 /nfs/dbraw/zinc/01/60/88/599016088.db2.gz NEAGPOITOKLRFL-ZDUSSCGKSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737819140 599016091 /nfs/dbraw/zinc/01/60/91/599016091.db2.gz NEAGPOITOKLRFL-ZDUSSCGKSA-N -1 3 379.489 3.866 20 0 GHADHM CCc1ccccc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736694691 599023608 /nfs/dbraw/zinc/02/36/08/599023608.db2.gz ADXDCDPVIMTMGY-UHFFFAOYSA-N -1 3 378.480 3.549 20 0 GHADHM CCc1ccccc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736694691 599023610 /nfs/dbraw/zinc/02/36/10/599023610.db2.gz ADXDCDPVIMTMGY-UHFFFAOYSA-N -1 3 378.480 3.549 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735750689 599024731 /nfs/dbraw/zinc/02/47/31/599024731.db2.gz RZILBPSPMIWTNP-FQEVSTJZSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735750689 599024733 /nfs/dbraw/zinc/02/47/33/599024733.db2.gz RZILBPSPMIWTNP-FQEVSTJZSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)c2n1 ZINC000737374602 599035550 /nfs/dbraw/zinc/03/55/50/599035550.db2.gz OVIBDPYWOQBDME-UHFFFAOYSA-N -1 3 390.472 3.916 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)c2n1 ZINC000737374602 599035553 /nfs/dbraw/zinc/03/55/53/599035553.db2.gz OVIBDPYWOQBDME-UHFFFAOYSA-N -1 3 390.472 3.916 20 0 GHADHM COc1ccc(Cl)cc1CN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737098349 599038834 /nfs/dbraw/zinc/03/88/34/599038834.db2.gz BVVMDQRMBFQEJQ-UHFFFAOYSA-N -1 3 398.776 3.579 20 0 GHADHM COc1ccc(Cl)cc1CN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737098349 599038837 /nfs/dbraw/zinc/03/88/37/599038837.db2.gz BVVMDQRMBFQEJQ-UHFFFAOYSA-N -1 3 398.776 3.579 20 0 GHADHM CC(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Nc1ccccc1 ZINC000735709915 599040717 /nfs/dbraw/zinc/04/07/17/599040717.db2.gz TVKYQVCSWMVZTN-CQSZACIVSA-N -1 3 391.401 3.829 20 0 GHADHM CC(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Nc1ccccc1 ZINC000735709915 599040720 /nfs/dbraw/zinc/04/07/20/599040720.db2.gz TVKYQVCSWMVZTN-CQSZACIVSA-N -1 3 391.401 3.829 20 0 GHADHM CC(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Nc1ccccc1 ZINC000735709913 599041073 /nfs/dbraw/zinc/04/10/73/599041073.db2.gz TVKYQVCSWMVZTN-AWEZNQCLSA-N -1 3 391.401 3.829 20 0 GHADHM CC(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Nc1ccccc1 ZINC000735709913 599041076 /nfs/dbraw/zinc/04/10/76/599041076.db2.gz TVKYQVCSWMVZTN-AWEZNQCLSA-N -1 3 391.401 3.829 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819940130 599052368 /nfs/dbraw/zinc/05/23/68/599052368.db2.gz PTPWETFUILYFTR-IUODEOHRSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819940130 599052371 /nfs/dbraw/zinc/05/23/71/599052371.db2.gz PTPWETFUILYFTR-IUODEOHRSA-N -1 3 390.463 3.501 20 0 GHADHM CCO[C@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC000736613206 599067575 /nfs/dbraw/zinc/06/75/75/599067575.db2.gz RPDWNFSQSLBOHG-SJORKVTESA-N -1 3 396.520 3.791 20 0 GHADHM CCO[C@H]1C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC000736613206 599067578 /nfs/dbraw/zinc/06/75/78/599067578.db2.gz RPDWNFSQSLBOHG-SJORKVTESA-N -1 3 396.520 3.791 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000735904142 599070932 /nfs/dbraw/zinc/07/09/32/599070932.db2.gz LUNPQXXXMXIVQE-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000735904142 599070935 /nfs/dbraw/zinc/07/09/35/599070935.db2.gz LUNPQXXXMXIVQE-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM Cc1c(NCC(=O)Nc2ccccc2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822122410 607258273 /nfs/dbraw/zinc/25/82/73/607258273.db2.gz LRVUYYNGLXPTLG-UHFFFAOYSA-N -1 3 398.470 3.817 20 0 GHADHM Cc1c(NCC(=O)Nc2ccccc2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822122410 607258274 /nfs/dbraw/zinc/25/82/74/607258274.db2.gz LRVUYYNGLXPTLG-UHFFFAOYSA-N -1 3 398.470 3.817 20 0 GHADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736358428 599077026 /nfs/dbraw/zinc/07/70/26/599077026.db2.gz UJPZDQIRMYVBQM-AVCMKVNGSA-N -1 3 375.476 3.753 20 0 GHADHM CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736358428 599077029 /nfs/dbraw/zinc/07/70/29/599077029.db2.gz UJPZDQIRMYVBQM-AVCMKVNGSA-N -1 3 375.476 3.753 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737329519 599082545 /nfs/dbraw/zinc/08/25/45/599082545.db2.gz KHDSLSXHRPMQET-LPHOPBHVSA-N -1 3 391.475 3.696 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737329519 599082547 /nfs/dbraw/zinc/08/25/47/599082547.db2.gz KHDSLSXHRPMQET-LPHOPBHVSA-N -1 3 391.475 3.696 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736425594 599084563 /nfs/dbraw/zinc/08/45/63/599084563.db2.gz JIKBDZUACZSSDD-SFHVURJKSA-N -1 3 395.532 3.877 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736425594 599084565 /nfs/dbraw/zinc/08/45/65/599084565.db2.gz JIKBDZUACZSSDD-SFHVURJKSA-N -1 3 395.532 3.877 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736245646 599087112 /nfs/dbraw/zinc/08/71/12/599087112.db2.gz UEULPQRJCHWZQB-CABCVRRESA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736245646 599087115 /nfs/dbraw/zinc/08/71/15/599087115.db2.gz UEULPQRJCHWZQB-CABCVRRESA-N -1 3 395.463 3.689 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000737275760 599091968 /nfs/dbraw/zinc/09/19/68/599091968.db2.gz WAKANUQVJGWIAV-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000737275760 599091969 /nfs/dbraw/zinc/09/19/69/599091969.db2.gz WAKANUQVJGWIAV-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM COCCN(C(=O)c1cc2c(cccc2F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987938 599115288 /nfs/dbraw/zinc/11/52/88/599115288.db2.gz HITQFWOGHKXHJV-UHFFFAOYSA-N -1 3 397.435 3.514 20 0 GHADHM COCCN(C(=O)c1cc2c(cccc2F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987938 599115291 /nfs/dbraw/zinc/11/52/91/599115291.db2.gz HITQFWOGHKXHJV-UHFFFAOYSA-N -1 3 397.435 3.514 20 0 GHADHM COC[C@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000821682684 599127653 /nfs/dbraw/zinc/12/76/53/599127653.db2.gz LPUCVQLFCJYCGF-VIFPVBQESA-N -1 3 399.398 3.976 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823336961 599152725 /nfs/dbraw/zinc/15/27/25/599152725.db2.gz DHUHSXRSLKJVFP-UHFFFAOYSA-N -1 3 392.369 3.823 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823336961 599152729 /nfs/dbraw/zinc/15/27/29/599152729.db2.gz DHUHSXRSLKJVFP-UHFFFAOYSA-N -1 3 392.369 3.823 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1c(F)c(F)c(F)c(F)c1F ZINC000737644812 599167374 /nfs/dbraw/zinc/16/73/74/599167374.db2.gz MXEHTSJODNXOCS-UHFFFAOYSA-N -1 3 376.285 3.994 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1c(F)c(F)c(F)c(F)c1F ZINC000737644812 599167376 /nfs/dbraw/zinc/16/73/76/599167376.db2.gz MXEHTSJODNXOCS-UHFFFAOYSA-N -1 3 376.285 3.994 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000735735968 599168345 /nfs/dbraw/zinc/16/83/45/599168345.db2.gz RALNWEGCJXCHMH-NUTKFTJISA-N -1 3 391.516 3.817 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000735735968 599168347 /nfs/dbraw/zinc/16/83/47/599168347.db2.gz RALNWEGCJXCHMH-NUTKFTJISA-N -1 3 391.516 3.817 20 0 GHADHM CC(C)[C@@H](CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735707635 599168633 /nfs/dbraw/zinc/16/86/33/599168633.db2.gz JMROEYHJRJYGPQ-MRXNPFEDSA-N -1 3 399.495 3.654 20 0 GHADHM CC(C)[C@@H](CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735707635 599168634 /nfs/dbraw/zinc/16/86/34/599168634.db2.gz JMROEYHJRJYGPQ-MRXNPFEDSA-N -1 3 399.495 3.654 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCCC[C@@H]1C ZINC000735734270 599170468 /nfs/dbraw/zinc/17/04/68/599170468.db2.gz GGVGSVNZKVHTPL-LRDDRELGSA-N -1 3 377.489 3.524 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCCC[C@@H]1C ZINC000735734270 599170469 /nfs/dbraw/zinc/17/04/69/599170469.db2.gz GGVGSVNZKVHTPL-LRDDRELGSA-N -1 3 377.489 3.524 20 0 GHADHM CCOc1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000736633644 599171391 /nfs/dbraw/zinc/17/13/91/599171391.db2.gz DASAFWZTXHACTQ-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM CCOc1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000736633644 599171392 /nfs/dbraw/zinc/17/13/92/599171392.db2.gz DASAFWZTXHACTQ-UHFFFAOYSA-N -1 3 398.423 3.747 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1cccc(F)c1 ZINC000736280888 599177387 /nfs/dbraw/zinc/17/73/87/599177387.db2.gz QYTBCKUBLCFLGK-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1cccc(F)c1 ZINC000736280888 599177391 /nfs/dbraw/zinc/17/73/91/599177391.db2.gz QYTBCKUBLCFLGK-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H](CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735976382 599184563 /nfs/dbraw/zinc/18/45/63/599184563.db2.gz MXZNMQPYRZOBML-AWEZNQCLSA-N -1 3 384.411 3.512 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000821949067 599185669 /nfs/dbraw/zinc/18/56/69/599185669.db2.gz FJPCYICKTAGZEJ-MAUKXSAKSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821949067 599185672 /nfs/dbraw/zinc/18/56/72/599185672.db2.gz FJPCYICKTAGZEJ-MAUKXSAKSA-N -1 3 395.488 3.673 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Nc1ccccc1 ZINC000823242272 599182472 /nfs/dbraw/zinc/18/24/72/599182472.db2.gz SQLTWFWVKVOOED-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Nc1ccccc1 ZINC000823242272 599182473 /nfs/dbraw/zinc/18/24/73/599182473.db2.gz SQLTWFWVKVOOED-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823078438 599191176 /nfs/dbraw/zinc/19/11/76/599191176.db2.gz NACPUSFWEKHXJU-JOCHJYFZSA-N -1 3 395.466 3.735 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823078438 599191179 /nfs/dbraw/zinc/19/11/79/599191179.db2.gz NACPUSFWEKHXJU-JOCHJYFZSA-N -1 3 395.466 3.735 20 0 GHADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000737336792 599191432 /nfs/dbraw/zinc/19/14/32/599191432.db2.gz GRMQFHPRYIYQIA-UHFFFAOYSA-N -1 3 392.507 3.585 20 0 GHADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000737336792 599191434 /nfs/dbraw/zinc/19/14/34/599191434.db2.gz GRMQFHPRYIYQIA-UHFFFAOYSA-N -1 3 392.507 3.585 20 0 GHADHM COCCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736988492 599216479 /nfs/dbraw/zinc/21/64/79/599216479.db2.gz RQLBKYWTWABDAO-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM COCCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736988492 599216482 /nfs/dbraw/zinc/21/64/82/599216482.db2.gz RQLBKYWTWABDAO-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736328312 599218363 /nfs/dbraw/zinc/21/83/63/599218363.db2.gz WELYXJOMAUWITG-AWEZNQCLSA-N -1 3 380.452 3.708 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736328312 599218365 /nfs/dbraw/zinc/21/83/65/599218365.db2.gz WELYXJOMAUWITG-AWEZNQCLSA-N -1 3 380.452 3.708 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821027270 599220088 /nfs/dbraw/zinc/22/00/88/599220088.db2.gz NQVARCZDKQWJCJ-OAQYLSRUSA-N -1 3 385.512 3.845 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821027270 599220091 /nfs/dbraw/zinc/22/00/91/599220091.db2.gz NQVARCZDKQWJCJ-OAQYLSRUSA-N -1 3 385.512 3.845 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735747078 599225636 /nfs/dbraw/zinc/22/56/36/599225636.db2.gz AVMBESZDXYPFHH-QGZVFWFLSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735747078 599225639 /nfs/dbraw/zinc/22/56/39/599225639.db2.gz AVMBESZDXYPFHH-QGZVFWFLSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360139 607260896 /nfs/dbraw/zinc/26/08/96/607260896.db2.gz XHTAOVMIOMOVFB-FZKQIMNGSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360139 607260897 /nfs/dbraw/zinc/26/08/97/607260897.db2.gz XHTAOVMIOMOVFB-FZKQIMNGSA-N -1 3 376.464 3.650 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820875667 599230628 /nfs/dbraw/zinc/23/06/28/599230628.db2.gz CFGLCEGZJXIZOW-LLVKDONJSA-N -1 3 386.456 3.883 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820875667 599230631 /nfs/dbraw/zinc/23/06/31/599230631.db2.gz CFGLCEGZJXIZOW-LLVKDONJSA-N -1 3 386.456 3.883 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736235901 599226945 /nfs/dbraw/zinc/22/69/45/599226945.db2.gz PTBWTZXLIARNQA-QHLBDZCJSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736235901 599226948 /nfs/dbraw/zinc/22/69/48/599226948.db2.gz PTBWTZXLIARNQA-QHLBDZCJSA-N -1 3 381.867 3.576 20 0 GHADHM Cc1c(NC(=O)COc2ccccc2-c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822077784 607270041 /nfs/dbraw/zinc/27/00/41/607270041.db2.gz XSRISSRFVDTNRI-UHFFFAOYSA-N -1 3 385.427 3.860 20 0 GHADHM Cc1c(NC(=O)COc2ccccc2-c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822077784 607270042 /nfs/dbraw/zinc/27/00/42/607270042.db2.gz XSRISSRFVDTNRI-UHFFFAOYSA-N -1 3 385.427 3.860 20 0 GHADHM CCCC[C@@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736438604 599241760 /nfs/dbraw/zinc/24/17/60/599241760.db2.gz OFXUPKQBEGZBRT-GFCCVEGCSA-N -1 3 393.875 3.608 20 0 GHADHM CCCC[C@@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736438604 599241763 /nfs/dbraw/zinc/24/17/63/599241763.db2.gz OFXUPKQBEGZBRT-GFCCVEGCSA-N -1 3 393.875 3.608 20 0 GHADHM COC(C)(C)C[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736957545 599243468 /nfs/dbraw/zinc/24/34/68/599243468.db2.gz IJCNGOJZEIZCBP-AWEZNQCLSA-N -1 3 394.479 3.544 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000736117454 599243775 /nfs/dbraw/zinc/24/37/75/599243775.db2.gz PJYFRRSYODMGLV-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000736117454 599243776 /nfs/dbraw/zinc/24/37/76/599243776.db2.gz PJYFRRSYODMGLV-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM O=C(/C=C/C1CCCCC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737798738 599247273 /nfs/dbraw/zinc/24/72/73/599247273.db2.gz UXGUIWFAAGUBLD-DHZHZOJOSA-N -1 3 394.504 3.989 20 0 GHADHM O=C(/C=C/C1CCCCC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737798738 599247274 /nfs/dbraw/zinc/24/72/74/599247274.db2.gz UXGUIWFAAGUBLD-DHZHZOJOSA-N -1 3 394.504 3.989 20 0 GHADHM Cc1c(NC(=O)NCCCSc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000822097035 607280220 /nfs/dbraw/zinc/28/02/20/607280220.db2.gz SJVIVZKZQUKFDV-UHFFFAOYSA-N -1 3 386.456 3.618 20 0 GHADHM Cc1c(NC(=O)NCCCSc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000822097035 607280221 /nfs/dbraw/zinc/28/02/21/607280221.db2.gz SJVIVZKZQUKFDV-UHFFFAOYSA-N -1 3 386.456 3.618 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820869329 599252369 /nfs/dbraw/zinc/25/23/69/599252369.db2.gz GPRGSVLQKNMVCT-OLZOCXBDSA-N -1 3 399.524 3.860 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820869329 599252371 /nfs/dbraw/zinc/25/23/71/599252371.db2.gz GPRGSVLQKNMVCT-OLZOCXBDSA-N -1 3 399.524 3.860 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)cccc1-c1nnn[n-]1 ZINC000822091877 607289053 /nfs/dbraw/zinc/28/90/53/607289053.db2.gz UINATVAAYWLITE-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)cccc1-c1nn[n-]n1 ZINC000822091877 607289054 /nfs/dbraw/zinc/28/90/54/607289054.db2.gz UINATVAAYWLITE-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822061683 607294060 /nfs/dbraw/zinc/29/40/60/607294060.db2.gz UVRJKYFDUUXJMY-LLVKDONJSA-N -1 3 375.354 3.936 20 0 GHADHM Cc1c(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822061683 607294061 /nfs/dbraw/zinc/29/40/61/607294061.db2.gz UVRJKYFDUUXJMY-LLVKDONJSA-N -1 3 375.354 3.936 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820145635 607301078 /nfs/dbraw/zinc/30/10/78/607301078.db2.gz COHVFXSUUOHMFM-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820145635 607301079 /nfs/dbraw/zinc/30/10/79/607301079.db2.gz COHVFXSUUOHMFM-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CN(Cc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000821615900 607313031 /nfs/dbraw/zinc/31/30/31/607313031.db2.gz UDGSSMMFNKJBDH-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(Cc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000821615900 607313032 /nfs/dbraw/zinc/31/30/32/607313032.db2.gz UDGSSMMFNKJBDH-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822578645 607313722 /nfs/dbraw/zinc/31/37/22/607313722.db2.gz MRVJTGSJIFSVAZ-GFCCVEGCSA-N -1 3 391.884 3.752 20 0 GHADHM COc1ccc(CNc2cc(Cl)c(OC)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821824 607316111 /nfs/dbraw/zinc/31/61/11/607316111.db2.gz YXQQMPFKAQYJCP-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM COc1ccc(CNc2cc(Cl)c(OC)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821824 607316112 /nfs/dbraw/zinc/31/61/12/607316112.db2.gz YXQQMPFKAQYJCP-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000736487581 599276855 /nfs/dbraw/zinc/27/68/55/599276855.db2.gz ITNBROPLRTYFKW-UHFFFAOYSA-N -1 3 389.419 3.596 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1cccc(C)c1 ZINC000736488441 599277550 /nfs/dbraw/zinc/27/75/50/599277550.db2.gz QFYKFHMNRVGSID-UHFFFAOYSA-N -1 3 394.479 3.795 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000736482205 599280489 /nfs/dbraw/zinc/28/04/89/599280489.db2.gz XOFOGUWUTNXCOT-QGZVFWFLSA-N -1 3 394.504 3.635 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000736482205 599280492 /nfs/dbraw/zinc/28/04/92/599280492.db2.gz XOFOGUWUTNXCOT-QGZVFWFLSA-N -1 3 394.504 3.635 20 0 GHADHM O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823257720 599287181 /nfs/dbraw/zinc/28/71/81/599287181.db2.gz SYBGVWROWALFFU-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823257720 599287184 /nfs/dbraw/zinc/28/71/84/599287184.db2.gz SYBGVWROWALFFU-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820698947 599288496 /nfs/dbraw/zinc/28/84/96/599288496.db2.gz WUUSOTJFCLCNOZ-CMPLNLGQSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820698947 599288498 /nfs/dbraw/zinc/28/84/98/599288498.db2.gz WUUSOTJFCLCNOZ-CMPLNLGQSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820571490 599288580 /nfs/dbraw/zinc/28/85/80/599288580.db2.gz ZSSSHXCVLVVOHI-JTQLQIEISA-N -1 3 391.357 3.505 20 0 GHADHM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820571490 599288584 /nfs/dbraw/zinc/28/85/84/599288584.db2.gz ZSSSHXCVLVVOHI-JTQLQIEISA-N -1 3 391.357 3.505 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1Oc1ccncc1 ZINC000822227234 607321360 /nfs/dbraw/zinc/32/13/60/607321360.db2.gz ANHWXDISGBYSMK-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1Oc1ccncc1 ZINC000822227234 607321361 /nfs/dbraw/zinc/32/13/61/607321361.db2.gz ANHWXDISGBYSMK-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CSc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736278568 599290999 /nfs/dbraw/zinc/29/09/99/599290999.db2.gz HITAIFSVUYMEQU-GXFFZTMASA-N -1 3 397.529 3.881 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CSc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736278568 599291002 /nfs/dbraw/zinc/29/10/02/599291002.db2.gz HITAIFSVUYMEQU-GXFFZTMASA-N -1 3 397.529 3.881 20 0 GHADHM COC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000821683612 607326349 /nfs/dbraw/zinc/32/63/49/607326349.db2.gz FZXBTYHYEGJIGS-HNNXBMFYSA-N -1 3 381.333 3.824 20 0 GHADHM COC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000821683612 607326350 /nfs/dbraw/zinc/32/63/50/607326350.db2.gz FZXBTYHYEGJIGS-HNNXBMFYSA-N -1 3 381.333 3.824 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1Cc2ccccc2O1 ZINC000738183677 598231144 /nfs/dbraw/zinc/23/11/44/598231144.db2.gz MAXJMPNULOOMJC-FQEVSTJZSA-N -1 3 399.410 3.601 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1Cc2ccccc2O1 ZINC000738183677 598231146 /nfs/dbraw/zinc/23/11/46/598231146.db2.gz MAXJMPNULOOMJC-FQEVSTJZSA-N -1 3 399.410 3.601 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736186536 598239414 /nfs/dbraw/zinc/23/94/14/598239414.db2.gz ZGCBTEOYQOVFAZ-OAHLLOKOSA-N -1 3 393.491 3.809 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736186536 598239416 /nfs/dbraw/zinc/23/94/16/598239416.db2.gz ZGCBTEOYQOVFAZ-OAHLLOKOSA-N -1 3 393.491 3.809 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737636482 598245974 /nfs/dbraw/zinc/24/59/74/598245974.db2.gz UKDUNGJBWUBHHA-LRDDRELGSA-N -1 3 386.381 3.737 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737636482 598245976 /nfs/dbraw/zinc/24/59/76/598245976.db2.gz UKDUNGJBWUBHHA-LRDDRELGSA-N -1 3 386.381 3.737 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cn1 ZINC000736791235 598246506 /nfs/dbraw/zinc/24/65/06/598246506.db2.gz BJVRQJJHWNUNNQ-UHFFFAOYSA-N -1 3 389.463 3.766 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cn1 ZINC000736791235 598246508 /nfs/dbraw/zinc/24/65/08/598246508.db2.gz BJVRQJJHWNUNNQ-UHFFFAOYSA-N -1 3 389.463 3.766 20 0 GHADHM CCC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccn1 ZINC000736431648 598263591 /nfs/dbraw/zinc/26/35/91/598263591.db2.gz PVXULRMRKQXOOF-MRXNPFEDSA-N -1 3 395.467 3.712 20 0 GHADHM CCC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccn1 ZINC000736431648 598263593 /nfs/dbraw/zinc/26/35/93/598263593.db2.gz PVXULRMRKQXOOF-MRXNPFEDSA-N -1 3 395.467 3.712 20 0 GHADHM C[C@H](Nc1ccc2scnc2c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736135603 598273416 /nfs/dbraw/zinc/27/34/16/598273416.db2.gz CIFDOFHQWZXSOU-VIFPVBQESA-N -1 3 399.867 3.569 20 0 GHADHM C[C@H](Nc1ccc2scnc2c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736135603 598273417 /nfs/dbraw/zinc/27/34/17/598273417.db2.gz CIFDOFHQWZXSOU-VIFPVBQESA-N -1 3 399.867 3.569 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1csc2ccccc12 ZINC000735662130 598277333 /nfs/dbraw/zinc/27/73/33/598277333.db2.gz QQTGGLRTALHXIK-UHFFFAOYSA-N -1 3 395.492 3.960 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1csc2ccccc12 ZINC000735662130 598277334 /nfs/dbraw/zinc/27/73/34/598277334.db2.gz QQTGGLRTALHXIK-UHFFFAOYSA-N -1 3 395.492 3.960 20 0 GHADHM CC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C)cs1 ZINC000736368240 598277799 /nfs/dbraw/zinc/27/77/99/598277799.db2.gz BJPLUMFQRFSJSH-LBPRGKRZSA-N -1 3 393.929 3.723 20 0 GHADHM CC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C)cs1 ZINC000736368240 598277800 /nfs/dbraw/zinc/27/78/00/598277800.db2.gz BJPLUMFQRFSJSH-LBPRGKRZSA-N -1 3 393.929 3.723 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737974617 598278233 /nfs/dbraw/zinc/27/82/33/598278233.db2.gz PYOAYXCCWNHQAF-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737974617 598278235 /nfs/dbraw/zinc/27/82/35/598278235.db2.gz PYOAYXCCWNHQAF-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740510 598281840 /nfs/dbraw/zinc/28/18/40/598281840.db2.gz AFMZDOAPBODKBU-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740510 598281842 /nfs/dbraw/zinc/28/18/42/598281842.db2.gz AFMZDOAPBODKBU-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1ccc(Cl)cc1Cl ZINC000737639769 598297876 /nfs/dbraw/zinc/29/78/76/598297876.db2.gz SFBZBRGIPTXOQV-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1ccc(Cl)cc1Cl ZINC000737639769 598297877 /nfs/dbraw/zinc/29/78/77/598297877.db2.gz SFBZBRGIPTXOQV-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000738271607 598307763 /nfs/dbraw/zinc/30/77/63/598307763.db2.gz ZFGJVXFMUWNIPF-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000738271607 598307765 /nfs/dbraw/zinc/30/77/65/598307765.db2.gz ZFGJVXFMUWNIPF-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735796905 598314848 /nfs/dbraw/zinc/31/48/48/598314848.db2.gz JRJDHCFKARTFHC-ZDUSSCGKSA-N -1 3 379.505 3.570 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735796905 598314850 /nfs/dbraw/zinc/31/48/50/598314850.db2.gz JRJDHCFKARTFHC-ZDUSSCGKSA-N -1 3 379.505 3.570 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736301420 598318528 /nfs/dbraw/zinc/31/85/28/598318528.db2.gz BHIRNTYWWPHAMX-VIFPVBQESA-N -1 3 390.925 3.898 20 0 GHADHM C[C@H]1c2ccsc2CCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736301420 598318530 /nfs/dbraw/zinc/31/85/30/598318530.db2.gz BHIRNTYWWPHAMX-VIFPVBQESA-N -1 3 390.925 3.898 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736242074 598320345 /nfs/dbraw/zinc/32/03/45/598320345.db2.gz YWTYEJOFTABSQR-ZANVPECISA-N -1 3 388.884 3.723 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736242074 598320347 /nfs/dbraw/zinc/32/03/47/598320347.db2.gz YWTYEJOFTABSQR-ZANVPECISA-N -1 3 388.884 3.723 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737426445 598321024 /nfs/dbraw/zinc/32/10/24/598321024.db2.gz MJRZZEHNJJPNHV-LBPRGKRZSA-N -1 3 386.912 3.746 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737426445 598321026 /nfs/dbraw/zinc/32/10/26/598321026.db2.gz MJRZZEHNJJPNHV-LBPRGKRZSA-N -1 3 386.912 3.746 20 0 GHADHM S=C(Nc1ccc2ncsc2c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738408018 598321166 /nfs/dbraw/zinc/32/11/66/598321166.db2.gz JDZGCUOVEBDCOQ-UHFFFAOYSA-N -1 3 387.881 3.939 20 0 GHADHM S=C(Nc1ccc2ncsc2c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738408018 598321168 /nfs/dbraw/zinc/32/11/68/598321168.db2.gz JDZGCUOVEBDCOQ-UHFFFAOYSA-N -1 3 387.881 3.939 20 0 GHADHM Cc1cc(F)ccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822204651 607351587 /nfs/dbraw/zinc/35/15/87/607351587.db2.gz WEAHWFWKTVKSJZ-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1cc(F)ccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822204651 607351588 /nfs/dbraw/zinc/35/15/88/607351588.db2.gz WEAHWFWKTVKSJZ-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000735633005 598353505 /nfs/dbraw/zinc/35/35/05/598353505.db2.gz KTWZIBQMOGBJKQ-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000735633005 598353507 /nfs/dbraw/zinc/35/35/07/598353507.db2.gz KTWZIBQMOGBJKQ-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736187925 598357711 /nfs/dbraw/zinc/35/77/11/598357711.db2.gz DGKDPOQOAKBJFF-LLVKDONJSA-N -1 3 396.501 3.861 20 0 GHADHM C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736187925 598357713 /nfs/dbraw/zinc/35/77/13/598357713.db2.gz DGKDPOQOAKBJFF-LLVKDONJSA-N -1 3 396.501 3.861 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736184793 598359977 /nfs/dbraw/zinc/35/99/77/598359977.db2.gz NSLHYSDFTHQNKU-OLZOCXBDSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736184793 598359979 /nfs/dbraw/zinc/35/99/79/598359979.db2.gz NSLHYSDFTHQNKU-OLZOCXBDSA-N -1 3 393.472 3.726 20 0 GHADHM COc1ccc(C(C)(C)CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1OC ZINC000737074297 598363584 /nfs/dbraw/zinc/36/35/84/598363584.db2.gz XGEIDACKKQHZAG-UHFFFAOYSA-N -1 3 389.406 3.552 20 0 GHADHM COc1ccc(C(C)(C)CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737074297 598363586 /nfs/dbraw/zinc/36/35/86/598363586.db2.gz XGEIDACKKQHZAG-UHFFFAOYSA-N -1 3 389.406 3.552 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1ccccc1F ZINC000736479369 598365100 /nfs/dbraw/zinc/36/51/00/598365100.db2.gz JLTUKTCDSJEPKF-OAHLLOKOSA-N -1 3 381.455 3.938 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1ccccc1F ZINC000736479369 598365102 /nfs/dbraw/zinc/36/51/02/598365102.db2.gz JLTUKTCDSJEPKF-OAHLLOKOSA-N -1 3 381.455 3.938 20 0 GHADHM CCC(CC)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736333626 598365263 /nfs/dbraw/zinc/36/52/63/598365263.db2.gz BGOKXUVWZWJJBE-UHFFFAOYSA-N -1 3 383.883 3.894 20 0 GHADHM CCC(CC)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736333626 598365265 /nfs/dbraw/zinc/36/52/65/598365265.db2.gz BGOKXUVWZWJJBE-UHFFFAOYSA-N -1 3 383.883 3.894 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC000737064177 598372667 /nfs/dbraw/zinc/37/26/67/598372667.db2.gz VKFXFWOEKYAZIX-NSHDSACASA-N -1 3 394.460 3.973 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC000737064177 598372668 /nfs/dbraw/zinc/37/26/68/598372668.db2.gz VKFXFWOEKYAZIX-NSHDSACASA-N -1 3 394.460 3.973 20 0 GHADHM Cc1cccc(C2(CNC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737388615 598381829 /nfs/dbraw/zinc/38/18/29/598381829.db2.gz GJLOWDQPQDUWKC-UHFFFAOYSA-N -1 3 389.503 3.736 20 0 GHADHM Cc1cccc(C2(CNC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737388615 598381831 /nfs/dbraw/zinc/38/18/31/598381831.db2.gz GJLOWDQPQDUWKC-UHFFFAOYSA-N -1 3 389.503 3.736 20 0 GHADHM COc1ccc2cc(CN(C)c3ncc(-c4nnn[n-]4)cc3Cl)ccc2c1 ZINC000737119003 598386693 /nfs/dbraw/zinc/38/66/93/598386693.db2.gz JUNOFDABFLCEIC-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM COc1ccc2cc(CN(C)c3ncc(-c4nn[n-]n4)cc3Cl)ccc2c1 ZINC000737119003 598386695 /nfs/dbraw/zinc/38/66/95/598386695.db2.gz JUNOFDABFLCEIC-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM Clc1ccc2[nH]c3c(c2c1)CN(c1ncc(-c2nnn[n-]2)cc1Cl)CC3 ZINC000737575588 598391629 /nfs/dbraw/zinc/39/16/29/598391629.db2.gz YIBSEFXBZWYVIG-UHFFFAOYSA-N -1 3 386.246 3.613 20 0 GHADHM Clc1ccc2[nH]c3c(c2c1)CN(c1ncc(-c2nn[n-]n2)cc1Cl)CC3 ZINC000737575588 598391631 /nfs/dbraw/zinc/39/16/31/598391631.db2.gz YIBSEFXBZWYVIG-UHFFFAOYSA-N -1 3 386.246 3.613 20 0 GHADHM FC(F)(F)c1cccc(CCCNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737635503 598392491 /nfs/dbraw/zinc/39/24/91/598392491.db2.gz IGOWCRYRBSJXSV-UHFFFAOYSA-N -1 3 382.777 3.979 20 0 GHADHM FC(F)(F)c1cccc(CCCNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737635503 598392492 /nfs/dbraw/zinc/39/24/92/598392492.db2.gz IGOWCRYRBSJXSV-UHFFFAOYSA-N -1 3 382.777 3.979 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c(F)c2)cc1 ZINC000737289655 598395927 /nfs/dbraw/zinc/39/59/27/598395927.db2.gz WMPQUBVHYMJPBQ-UHFFFAOYSA-N -1 3 387.418 3.911 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c(F)c2)cc1 ZINC000737289655 598395929 /nfs/dbraw/zinc/39/59/29/598395929.db2.gz WMPQUBVHYMJPBQ-UHFFFAOYSA-N -1 3 387.418 3.911 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000736189069 598416812 /nfs/dbraw/zinc/41/68/12/598416812.db2.gz ADSIJJZTRGKOMV-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000736189069 598416813 /nfs/dbraw/zinc/41/68/13/598416813.db2.gz ADSIJJZTRGKOMV-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1sccc1SC ZINC000736627745 598419100 /nfs/dbraw/zinc/41/91/00/598419100.db2.gz MRTFUQNDLYWQDD-UHFFFAOYSA-N -1 3 396.881 3.921 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1sccc1SC ZINC000736627745 598419102 /nfs/dbraw/zinc/41/91/02/598419102.db2.gz MRTFUQNDLYWQDD-UHFFFAOYSA-N -1 3 396.881 3.921 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736056515 598420906 /nfs/dbraw/zinc/42/09/06/598420906.db2.gz OFTIHEDRNYTGTG-LLVKDONJSA-N -1 3 390.274 3.669 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736056515 598420907 /nfs/dbraw/zinc/42/09/07/598420907.db2.gz OFTIHEDRNYTGTG-LLVKDONJSA-N -1 3 390.274 3.669 20 0 GHADHM CSc1ccsc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737193134 598421411 /nfs/dbraw/zinc/42/14/11/598421411.db2.gz XLNCOOKQKWNTGB-UHFFFAOYSA-N -1 3 387.534 3.949 20 0 GHADHM CSc1ccsc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737193134 598421413 /nfs/dbraw/zinc/42/14/13/598421413.db2.gz XLNCOOKQKWNTGB-UHFFFAOYSA-N -1 3 387.534 3.949 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453018 598424172 /nfs/dbraw/zinc/42/41/72/598424172.db2.gz KDRGSBAHFXNQQJ-ZROIWOOFSA-N -1 3 376.464 3.755 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453018 598424175 /nfs/dbraw/zinc/42/41/75/598424175.db2.gz KDRGSBAHFXNQQJ-ZROIWOOFSA-N -1 3 376.464 3.755 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000736633834 598431321 /nfs/dbraw/zinc/43/13/21/598431321.db2.gz FPGLWNKPMAFAOV-AWEZNQCLSA-N -1 3 380.452 3.765 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000736633834 598431322 /nfs/dbraw/zinc/43/13/22/598431322.db2.gz FPGLWNKPMAFAOV-AWEZNQCLSA-N -1 3 380.452 3.765 20 0 GHADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501212 598442940 /nfs/dbraw/zinc/44/29/40/598442940.db2.gz APQSRKPCTSGZRG-HUUCEWRRSA-N -1 3 379.464 3.589 20 0 GHADHM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501212 598442942 /nfs/dbraw/zinc/44/29/42/598442942.db2.gz APQSRKPCTSGZRG-HUUCEWRRSA-N -1 3 379.464 3.589 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](SCc1ccccc1)C(C)C ZINC000737056242 598444378 /nfs/dbraw/zinc/44/43/78/598444378.db2.gz APDRHMGPWAJSEX-GOSISDBHSA-N -1 3 397.504 3.772 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](SCc1ccccc1)C(C)C ZINC000737056242 598444380 /nfs/dbraw/zinc/44/43/80/598444380.db2.gz APDRHMGPWAJSEX-GOSISDBHSA-N -1 3 397.504 3.772 20 0 GHADHM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000735856558 598450974 /nfs/dbraw/zinc/45/09/74/598450974.db2.gz KPFQQDWQFUHKAW-UHFFFAOYSA-N -1 3 377.235 3.624 20 0 GHADHM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000735856558 598450975 /nfs/dbraw/zinc/45/09/75/598450975.db2.gz KPFQQDWQFUHKAW-UHFFFAOYSA-N -1 3 377.235 3.624 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1Cl ZINC000737571266 598461686 /nfs/dbraw/zinc/46/16/86/598461686.db2.gz YYKKELLKFPGSGN-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737571266 598461688 /nfs/dbraw/zinc/46/16/88/598461688.db2.gz YYKKELLKFPGSGN-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCSC(C)(C)C ZINC000735831719 598468909 /nfs/dbraw/zinc/46/89/09/598468909.db2.gz UDXMYBIDPOHACT-UHFFFAOYSA-N -1 3 390.557 3.566 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCSC(C)(C)C ZINC000735831719 598468911 /nfs/dbraw/zinc/46/89/11/598468911.db2.gz UDXMYBIDPOHACT-UHFFFAOYSA-N -1 3 390.557 3.566 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112978 598469540 /nfs/dbraw/zinc/46/95/40/598469540.db2.gz LLFRRZBTSQIRCO-QFBILLFUSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112978 598469543 /nfs/dbraw/zinc/46/95/43/598469543.db2.gz LLFRRZBTSQIRCO-QFBILLFUSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000736109880 598475686 /nfs/dbraw/zinc/47/56/86/598475686.db2.gz BKAIUTSWGMOQKT-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000736109880 598475688 /nfs/dbraw/zinc/47/56/88/598475688.db2.gz BKAIUTSWGMOQKT-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM O=C(N[C@H]1CCCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738024321 598477302 /nfs/dbraw/zinc/47/73/02/598477302.db2.gz KMBIPPOGGJYJOG-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(N[C@H]1CCCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738024321 598477304 /nfs/dbraw/zinc/47/73/04/598477304.db2.gz KMBIPPOGGJYJOG-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160046 598485887 /nfs/dbraw/zinc/48/58/87/598485887.db2.gz PAFLYEKGKYQORS-LLVKDONJSA-N -1 3 397.485 3.899 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160046 598485889 /nfs/dbraw/zinc/48/58/89/598485889.db2.gz PAFLYEKGKYQORS-LLVKDONJSA-N -1 3 397.485 3.899 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737307847 598486280 /nfs/dbraw/zinc/48/62/80/598486280.db2.gz IFJAGUNHCZPOQP-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737307847 598486281 /nfs/dbraw/zinc/48/62/81/598486281.db2.gz IFJAGUNHCZPOQP-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736150477 598487149 /nfs/dbraw/zinc/48/71/49/598487149.db2.gz OBRBHSUWHAGQSD-LLVKDONJSA-N -1 3 390.802 3.733 20 0 GHADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736150477 598487151 /nfs/dbraw/zinc/48/71/51/598487151.db2.gz OBRBHSUWHAGQSD-LLVKDONJSA-N -1 3 390.802 3.733 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000735662802 598488544 /nfs/dbraw/zinc/48/85/44/598488544.db2.gz XZKQDOVPCJFBPQ-UHFFFAOYSA-N -1 3 399.505 3.861 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000735662802 598488546 /nfs/dbraw/zinc/48/85/46/598488546.db2.gz XZKQDOVPCJFBPQ-UHFFFAOYSA-N -1 3 399.505 3.861 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737824523 598495513 /nfs/dbraw/zinc/49/55/13/598495513.db2.gz WWJHFXGITFWFBV-ZDUSSCGKSA-N -1 3 399.401 3.917 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737824523 598495514 /nfs/dbraw/zinc/49/55/14/598495514.db2.gz WWJHFXGITFWFBV-ZDUSSCGKSA-N -1 3 399.401 3.917 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000736629609 598497872 /nfs/dbraw/zinc/49/78/72/598497872.db2.gz XXFVYHNRUHCOBM-UHFFFAOYSA-N -1 3 397.822 3.548 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000736629609 598497874 /nfs/dbraw/zinc/49/78/74/598497874.db2.gz XXFVYHNRUHCOBM-UHFFFAOYSA-N -1 3 397.822 3.548 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737474927 598498467 /nfs/dbraw/zinc/49/84/67/598498467.db2.gz UDEBBPOVDITVCZ-UHFFFAOYSA-N -1 3 398.536 3.881 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737474927 598498469 /nfs/dbraw/zinc/49/84/69/598498469.db2.gz UDEBBPOVDITVCZ-UHFFFAOYSA-N -1 3 398.536 3.881 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737065480 598507740 /nfs/dbraw/zinc/50/77/40/598507740.db2.gz MQZCVTRKPAVQLS-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737065480 598507742 /nfs/dbraw/zinc/50/77/42/598507742.db2.gz MQZCVTRKPAVQLS-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(-c3ccccn3)n2)c1-c1nnn[n-]1 ZINC000736678747 598514193 /nfs/dbraw/zinc/51/41/93/598514193.db2.gz HLXKQCVGLZVSLM-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(-c3ccccn3)n2)c1-c1nn[n-]n1 ZINC000736678747 598514194 /nfs/dbraw/zinc/51/41/94/598514194.db2.gz HLXKQCVGLZVSLM-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1-c1nnn[n-]1 ZINC000736675752 598515552 /nfs/dbraw/zinc/51/55/52/598515552.db2.gz LVCWERWQRVGRFI-UHFFFAOYSA-N -1 3 398.492 3.646 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1-c1nn[n-]n1 ZINC000736675752 598515554 /nfs/dbraw/zinc/51/55/54/598515554.db2.gz LVCWERWQRVGRFI-UHFFFAOYSA-N -1 3 398.492 3.646 20 0 GHADHM COc1cccc(C2(C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737127043 598533233 /nfs/dbraw/zinc/53/32/33/598533233.db2.gz JJBLAQMUSBOSER-UHFFFAOYSA-N -1 3 397.866 3.979 20 0 GHADHM COc1cccc(C2(C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737127043 598533235 /nfs/dbraw/zinc/53/32/35/598533235.db2.gz JJBLAQMUSBOSER-UHFFFAOYSA-N -1 3 397.866 3.979 20 0 GHADHM O=C(NCCCC1CCCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738056180 598539619 /nfs/dbraw/zinc/53/96/19/598539619.db2.gz SANIEUAJJBGOJT-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110629 598543317 /nfs/dbraw/zinc/54/33/17/598543317.db2.gz IOKWABMQOLAIAV-CVEARBPZSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110629 598543319 /nfs/dbraw/zinc/54/33/19/598543319.db2.gz IOKWABMQOLAIAV-CVEARBPZSA-N -1 3 390.491 3.938 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735448131 598544718 /nfs/dbraw/zinc/54/47/18/598544718.db2.gz PXSOIJWDUORTIE-CSKARUKUSA-N -1 3 389.337 3.649 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735448131 598544719 /nfs/dbraw/zinc/54/47/19/598544719.db2.gz PXSOIJWDUORTIE-CSKARUKUSA-N -1 3 389.337 3.649 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737794012 598545972 /nfs/dbraw/zinc/54/59/72/598545972.db2.gz ARCZXGWQOZYMTE-UTCJRWHESA-N -1 3 397.794 3.835 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737794012 598545973 /nfs/dbraw/zinc/54/59/73/598545973.db2.gz ARCZXGWQOZYMTE-UTCJRWHESA-N -1 3 397.794 3.835 20 0 GHADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236187 598558664 /nfs/dbraw/zinc/55/86/64/598558664.db2.gz ILSOEGIXNFAYMF-MEDUHNTESA-N -1 3 398.854 3.629 20 0 GHADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236187 598558665 /nfs/dbraw/zinc/55/86/65/598558665.db2.gz ILSOEGIXNFAYMF-MEDUHNTESA-N -1 3 398.854 3.629 20 0 GHADHM C[C@H](c1cccs1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736202261 598561532 /nfs/dbraw/zinc/56/15/32/598561532.db2.gz ICGBKFGAOKYXHI-SECBINFHSA-N -1 3 394.407 3.755 20 0 GHADHM C[C@H](c1cccs1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736202261 598561534 /nfs/dbraw/zinc/56/15/34/598561534.db2.gz ICGBKFGAOKYXHI-SECBINFHSA-N -1 3 394.407 3.755 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1csc(-c2ccccc2F)n1 ZINC000737032123 598580933 /nfs/dbraw/zinc/58/09/33/598580933.db2.gz JYXYGNYUJHQVID-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1csc(-c2ccccc2F)n1 ZINC000737032123 598580935 /nfs/dbraw/zinc/58/09/35/598580935.db2.gz JYXYGNYUJHQVID-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737918526 598589688 /nfs/dbraw/zinc/58/96/88/598589688.db2.gz IYSUROOJFDAOET-UHFFFAOYSA-N -1 3 397.797 3.830 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737918526 598589690 /nfs/dbraw/zinc/58/96/90/598589690.db2.gz IYSUROOJFDAOET-UHFFFAOYSA-N -1 3 397.797 3.830 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737815684 598594201 /nfs/dbraw/zinc/59/42/01/598594201.db2.gz ZYSVSSOCPISZTB-CQSZACIVSA-N -1 3 393.422 3.880 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737815684 598594203 /nfs/dbraw/zinc/59/42/03/598594203.db2.gz ZYSVSSOCPISZTB-CQSZACIVSA-N -1 3 393.422 3.880 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736804615 598627405 /nfs/dbraw/zinc/62/74/05/598627405.db2.gz SGVVHJROMXNTRV-UHFFFAOYSA-N -1 3 390.422 3.865 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736804615 598627407 /nfs/dbraw/zinc/62/74/07/598627407.db2.gz SGVVHJROMXNTRV-UHFFFAOYSA-N -1 3 390.422 3.865 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)/C=C/C(C)(C)C ZINC000737278719 598627588 /nfs/dbraw/zinc/62/75/88/598627588.db2.gz DAVGTDQDXSNIKG-MDZDMXLPSA-N -1 3 378.436 3.903 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000738162683 598630113 /nfs/dbraw/zinc/63/01/13/598630113.db2.gz LEDUHJMNUBPJFN-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000738162683 598630115 /nfs/dbraw/zinc/63/01/15/598630115.db2.gz LEDUHJMNUBPJFN-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCc2cc(F)ccc21 ZINC000737833650 598652038 /nfs/dbraw/zinc/65/20/38/598652038.db2.gz ZHNUMNUAMOOMEZ-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCc2cc(F)ccc21 ZINC000737833650 598652040 /nfs/dbraw/zinc/65/20/40/598652040.db2.gz ZHNUMNUAMOOMEZ-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000735954026 598652900 /nfs/dbraw/zinc/65/29/00/598652900.db2.gz QWUGCQIYTPSWEK-UHFFFAOYSA-N -1 3 386.481 3.951 20 0 GHADHM CC(C)c1ocnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000735954026 598652903 /nfs/dbraw/zinc/65/29/03/598652903.db2.gz QWUGCQIYTPSWEK-UHFFFAOYSA-N -1 3 386.481 3.951 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738185948 598658514 /nfs/dbraw/zinc/65/85/14/598658514.db2.gz UZUHYGCTAWWFLC-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738185948 598658516 /nfs/dbraw/zinc/65/85/16/598658516.db2.gz UZUHYGCTAWWFLC-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000736140658 598665007 /nfs/dbraw/zinc/66/50/07/598665007.db2.gz YWCAMGNKMSVAEY-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000736140658 598665009 /nfs/dbraw/zinc/66/50/09/598665009.db2.gz YWCAMGNKMSVAEY-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000737943663 598666753 /nfs/dbraw/zinc/66/67/53/598666753.db2.gz UGAQKPIRXZSZPX-GOSISDBHSA-N -1 3 393.516 3.583 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000737943663 598666754 /nfs/dbraw/zinc/66/67/54/598666754.db2.gz UGAQKPIRXZSZPX-GOSISDBHSA-N -1 3 393.516 3.583 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CC1CCCCC1 ZINC000737941440 598668087 /nfs/dbraw/zinc/66/80/87/598668087.db2.gz ATSDDMSCWUGZJY-QGZVFWFLSA-N -1 3 385.537 3.920 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CC1CCCCC1 ZINC000737941440 598668089 /nfs/dbraw/zinc/66/80/89/598668089.db2.gz ATSDDMSCWUGZJY-QGZVFWFLSA-N -1 3 385.537 3.920 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000735627042 598669349 /nfs/dbraw/zinc/66/93/49/598669349.db2.gz MBGNAAMNWMVEPF-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000735627042 598669350 /nfs/dbraw/zinc/66/93/50/598669350.db2.gz MBGNAAMNWMVEPF-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737942476 598669367 /nfs/dbraw/zinc/66/93/67/598669367.db2.gz LCLHBICPEUCIMM-QGZVFWFLSA-N -1 3 393.516 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737942476 598669368 /nfs/dbraw/zinc/66/93/68/598669368.db2.gz LCLHBICPEUCIMM-QGZVFWFLSA-N -1 3 393.516 3.755 20 0 GHADHM Cc1cc(Br)ccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737230857 598675753 /nfs/dbraw/zinc/67/57/53/598675753.db2.gz ITPLTXAPERRTKZ-UHFFFAOYSA-N -1 3 379.649 3.598 20 0 GHADHM Cc1cc(Br)ccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737230857 598675755 /nfs/dbraw/zinc/67/57/55/598675755.db2.gz ITPLTXAPERRTKZ-UHFFFAOYSA-N -1 3 379.649 3.598 20 0 GHADHM CCCc1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000736498295 598691664 /nfs/dbraw/zinc/69/16/64/598691664.db2.gz YEXBEWDJFJXTQZ-UHFFFAOYSA-N -1 3 389.419 3.587 20 0 GHADHM Cc1cc(C)cc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737249708 598696534 /nfs/dbraw/zinc/69/65/34/598696534.db2.gz BUGUCJNFUGMOBM-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cc(C)cc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737249708 598696536 /nfs/dbraw/zinc/69/65/36/598696536.db2.gz BUGUCJNFUGMOBM-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737322219 598696569 /nfs/dbraw/zinc/69/65/69/598696569.db2.gz KGHLYNXIGOLTMD-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737322219 598696571 /nfs/dbraw/zinc/69/65/71/598696571.db2.gz KGHLYNXIGOLTMD-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191481 598697060 /nfs/dbraw/zinc/69/70/60/598697060.db2.gz JGSYPAOBJIFFIE-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191481 598697061 /nfs/dbraw/zinc/69/70/61/598697061.db2.gz JGSYPAOBJIFFIE-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccccc1-c1nn[n-]n1 ZINC000736214266 598707066 /nfs/dbraw/zinc/70/70/66/598707066.db2.gz MBYXTTHAHLMQGL-SFHVURJKSA-N -1 3 383.883 3.872 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737853865 598709575 /nfs/dbraw/zinc/70/95/75/598709575.db2.gz WFUBFLZPMXHOGL-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737853865 598709576 /nfs/dbraw/zinc/70/95/76/598709576.db2.gz WFUBFLZPMXHOGL-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000738232878 598711405 /nfs/dbraw/zinc/71/14/05/598711405.db2.gz WNZSUXIVUDEEJR-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000738232878 598711406 /nfs/dbraw/zinc/71/14/06/598711406.db2.gz WNZSUXIVUDEEJR-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM c1cn(CCOc2ccc3ccccc3c2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738442617 598723682 /nfs/dbraw/zinc/72/36/82/598723682.db2.gz QHQONINWUVGAKY-UHFFFAOYSA-N -1 3 382.427 3.962 20 0 GHADHM c1cn(CCOc2ccc3ccccc3c2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738442617 598723684 /nfs/dbraw/zinc/72/36/84/598723684.db2.gz QHQONINWUVGAKY-UHFFFAOYSA-N -1 3 382.427 3.962 20 0 GHADHM CCN(Cc1csc(-c2ccccn2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557100 598727845 /nfs/dbraw/zinc/72/78/45/598727845.db2.gz WOZLOSRIBKXLTM-CQSZACIVSA-N -1 3 391.504 3.968 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000736479953 598741848 /nfs/dbraw/zinc/74/18/48/598741848.db2.gz NQJKEGVHCWDLQV-GOSISDBHSA-N -1 3 389.503 3.801 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000736479953 598741849 /nfs/dbraw/zinc/74/18/49/598741849.db2.gz NQJKEGVHCWDLQV-GOSISDBHSA-N -1 3 389.503 3.801 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737794710 598753937 /nfs/dbraw/zinc/75/39/37/598753937.db2.gz GUNCXYRNRVMLCA-BJMVGYQFSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737794710 598753939 /nfs/dbraw/zinc/75/39/39/598753939.db2.gz GUNCXYRNRVMLCA-BJMVGYQFSA-N -1 3 391.431 3.580 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737418473 598758914 /nfs/dbraw/zinc/75/89/14/598758914.db2.gz BBZFDPGPDXTUOR-IBGZPJMESA-N -1 3 378.480 3.714 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737418473 598758915 /nfs/dbraw/zinc/75/89/15/598758915.db2.gz BBZFDPGPDXTUOR-IBGZPJMESA-N -1 3 378.480 3.714 20 0 GHADHM CCOc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000736644309 598770010 /nfs/dbraw/zinc/77/00/10/598770010.db2.gz XQPBCXWYKUXZRQ-UHFFFAOYSA-N -1 3 396.401 3.728 20 0 GHADHM CCOc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000736644309 598770012 /nfs/dbraw/zinc/77/00/12/598770012.db2.gz XQPBCXWYKUXZRQ-UHFFFAOYSA-N -1 3 396.401 3.728 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@H]3CCOc4ccccc43)c2c1 ZINC000737644684 598773174 /nfs/dbraw/zinc/77/31/74/598773174.db2.gz JZTXUJSCHCUOHP-LLVKDONJSA-N -1 3 394.385 3.671 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@H]3CCOc4ccccc43)c2c1 ZINC000737644684 598773176 /nfs/dbraw/zinc/77/31/76/598773176.db2.gz JZTXUJSCHCUOHP-LLVKDONJSA-N -1 3 394.385 3.671 20 0 GHADHM Cc1cc(C)cc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737252269 598780764 /nfs/dbraw/zinc/78/07/64/598780764.db2.gz YEBFOOFDLIRSSJ-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Fc1ccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1F ZINC000737648761 598798171 /nfs/dbraw/zinc/79/81/71/598798171.db2.gz IVKZILQSHCEEGK-UHFFFAOYSA-N -1 3 376.798 3.577 20 0 GHADHM Fc1ccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1F ZINC000737648761 598798172 /nfs/dbraw/zinc/79/81/72/598798172.db2.gz IVKZILQSHCEEGK-UHFFFAOYSA-N -1 3 376.798 3.577 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112804 598799538 /nfs/dbraw/zinc/79/95/38/598799538.db2.gz VCFWBXXIKCKHJO-BEFAXECRSA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112804 598799539 /nfs/dbraw/zinc/79/95/39/598799539.db2.gz VCFWBXXIKCKHJO-BEFAXECRSA-N -1 3 378.480 3.966 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736369006 598812185 /nfs/dbraw/zinc/81/21/85/598812185.db2.gz JOXUXFXGKNSAIK-FQEVSTJZSA-N -1 3 392.507 3.742 20 0 GHADHM CC[C@H](Nc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736369006 598812187 /nfs/dbraw/zinc/81/21/87/598812187.db2.gz JOXUXFXGKNSAIK-FQEVSTJZSA-N -1 3 392.507 3.742 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccc(Br)cc21 ZINC000737221106 598816442 /nfs/dbraw/zinc/81/64/42/598816442.db2.gz IRROIQBPGRGVHG-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ncc(C(C)C)o2)n1 ZINC000737243590 598820898 /nfs/dbraw/zinc/82/08/98/598820898.db2.gz ALTLQECYUPCQNJ-UHFFFAOYSA-N -1 3 384.387 3.993 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736229539 598821604 /nfs/dbraw/zinc/82/16/04/598821604.db2.gz MPTULBHYFVVVIE-HXUWFJFHSA-N -1 3 378.505 3.617 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736229539 598821606 /nfs/dbraw/zinc/82/16/06/598821606.db2.gz MPTULBHYFVVVIE-HXUWFJFHSA-N -1 3 378.505 3.617 20 0 GHADHM CCOc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000736628937 598822633 /nfs/dbraw/zinc/82/26/33/598822633.db2.gz ZFWNSGOKIGNFID-UHFFFAOYSA-N -1 3 379.464 3.877 20 0 GHADHM CCOc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000736628937 598822634 /nfs/dbraw/zinc/82/26/34/598822634.db2.gz ZFWNSGOKIGNFID-UHFFFAOYSA-N -1 3 379.464 3.877 20 0 GHADHM CC(C)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820076714 599296388 /nfs/dbraw/zinc/29/63/88/599296388.db2.gz SBCWILSRZIJJDY-UHFFFAOYSA-N -1 3 384.415 3.966 20 0 GHADHM CC(C)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820076714 599296391 /nfs/dbraw/zinc/29/63/91/599296391.db2.gz SBCWILSRZIJJDY-UHFFFAOYSA-N -1 3 384.415 3.966 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1C(F)(F)F ZINC000822208309 599298449 /nfs/dbraw/zinc/29/84/49/599298449.db2.gz LSDDTXLOTARJTA-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1C(F)(F)F ZINC000822208309 599298451 /nfs/dbraw/zinc/29/84/51/599298451.db2.gz LSDDTXLOTARJTA-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2cccc(Br)c2C1 ZINC000736201901 599321440 /nfs/dbraw/zinc/32/14/40/599321440.db2.gz YGCOOXQVKWRGJR-LBPRGKRZSA-N -1 3 384.281 3.749 20 0 GHADHM Cc1cc(-c2cccc(F)c2)nnc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737220418 599323760 /nfs/dbraw/zinc/32/37/60/599323760.db2.gz XLGPMKTWAUEYCK-CYBMUJFWSA-N -1 3 375.411 3.944 20 0 GHADHM Cc1cc(-c2cccc(F)c2)nnc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737220418 599323762 /nfs/dbraw/zinc/32/37/62/599323762.db2.gz XLGPMKTWAUEYCK-CYBMUJFWSA-N -1 3 375.411 3.944 20 0 GHADHM Cc1cc(-c2cccc(F)c2)nnc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737220419 599324077 /nfs/dbraw/zinc/32/40/77/599324077.db2.gz XLGPMKTWAUEYCK-ZDUSSCGKSA-N -1 3 375.411 3.944 20 0 GHADHM Cc1cc(-c2cccc(F)c2)nnc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737220419 599324080 /nfs/dbraw/zinc/32/40/80/599324080.db2.gz XLGPMKTWAUEYCK-ZDUSSCGKSA-N -1 3 375.411 3.944 20 0 GHADHM C[C@@H](SCCCOc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191798 599326232 /nfs/dbraw/zinc/32/62/32/599326232.db2.gz WZXCIQOXPORTKL-CYBMUJFWSA-N -1 3 384.461 3.859 20 0 GHADHM C[C@@H](SCCCOc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191798 599326234 /nfs/dbraw/zinc/32/62/34/599326234.db2.gz WZXCIQOXPORTKL-CYBMUJFWSA-N -1 3 384.461 3.859 20 0 GHADHM COC(=O)c1ccc(OC(C)C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736948111 599327084 /nfs/dbraw/zinc/32/70/84/599327084.db2.gz GVBTYIVPFLALAS-ZDUSSCGKSA-N -1 3 381.436 3.614 20 0 GHADHM COC(=O)c1ccc(OC(C)C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736948111 599327087 /nfs/dbraw/zinc/32/70/87/599327087.db2.gz GVBTYIVPFLALAS-ZDUSSCGKSA-N -1 3 381.436 3.614 20 0 GHADHM C[C@H](S[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187508 599327407 /nfs/dbraw/zinc/32/74/07/599327407.db2.gz BHMDLRPOPRQXPG-SJCJKPOMSA-N -1 3 383.452 3.606 20 0 GHADHM C[C@H](S[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187508 599327410 /nfs/dbraw/zinc/32/74/10/599327410.db2.gz BHMDLRPOPRQXPG-SJCJKPOMSA-N -1 3 383.452 3.606 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736188978 599329991 /nfs/dbraw/zinc/32/99/91/599329991.db2.gz NEIIRFGBBQDEOI-KFWWJZLASA-N -1 3 381.505 3.927 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736188978 599329993 /nfs/dbraw/zinc/32/99/93/599329993.db2.gz NEIIRFGBBQDEOI-KFWWJZLASA-N -1 3 381.505 3.927 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)nn1 ZINC000737366602 599330081 /nfs/dbraw/zinc/33/00/81/599330081.db2.gz UMANZYGHMGGCCL-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2)nn1 ZINC000737366602 599330083 /nfs/dbraw/zinc/33/00/83/599330083.db2.gz UMANZYGHMGGCCL-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000820555001 599344819 /nfs/dbraw/zinc/34/48/19/599344819.db2.gz DKJKSEOZSWSFQY-HNNXBMFYSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000820555001 599344821 /nfs/dbraw/zinc/34/48/21/599344821.db2.gz DKJKSEOZSWSFQY-HNNXBMFYSA-N -1 3 381.505 3.785 20 0 GHADHM Brc1ccc(NCCc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000735368878 599360965 /nfs/dbraw/zinc/36/09/65/599360965.db2.gz OMQXHHILLZOQFY-UHFFFAOYSA-N -1 3 383.253 3.765 20 0 GHADHM Brc1ccc(NCCc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000735368878 599360967 /nfs/dbraw/zinc/36/09/67/599360967.db2.gz OMQXHHILLZOQFY-UHFFFAOYSA-N -1 3 383.253 3.765 20 0 GHADHM Brc1ccc(NC[C@H]2CCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735369446 599361224 /nfs/dbraw/zinc/36/12/24/599361224.db2.gz UPVSMSDPUXZWIR-CYBMUJFWSA-N -1 3 399.296 3.568 20 0 GHADHM Brc1ccc(NC[C@H]2CCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735369446 599361227 /nfs/dbraw/zinc/36/12/27/599361227.db2.gz UPVSMSDPUXZWIR-CYBMUJFWSA-N -1 3 399.296 3.568 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1N1CCCCC1=O ZINC000821836011 599368188 /nfs/dbraw/zinc/36/81/88/599368188.db2.gz XQEUSXLQFFMAIQ-CQSZACIVSA-N -1 3 392.463 3.565 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1N1CCCCC1=O ZINC000821836011 599368191 /nfs/dbraw/zinc/36/81/91/599368191.db2.gz XQEUSXLQFFMAIQ-CQSZACIVSA-N -1 3 392.463 3.565 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456566 599378017 /nfs/dbraw/zinc/37/80/17/599378017.db2.gz VILSATWQDQBIJB-HNNXBMFYSA-N -1 3 379.464 3.845 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456566 599378020 /nfs/dbraw/zinc/37/80/20/599378020.db2.gz VILSATWQDQBIJB-HNNXBMFYSA-N -1 3 379.464 3.845 20 0 GHADHM COc1ccc(NCc2cc(-c3nnn[n-]3)ccc2OC)c(C(F)(F)F)c1 ZINC000821835602 607371679 /nfs/dbraw/zinc/37/16/79/607371679.db2.gz NVJMJKPTGVMWQX-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(NCc2cc(-c3nn[n-]n3)ccc2OC)c(C(F)(F)F)c1 ZINC000821835602 607371681 /nfs/dbraw/zinc/37/16/81/607371681.db2.gz NVJMJKPTGVMWQX-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(=O)NC(C)(C)C ZINC000820456313 599386704 /nfs/dbraw/zinc/38/67/04/599386704.db2.gz SGXCZOSRNLSGSB-GFCCVEGCSA-N -1 3 398.442 3.513 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(=O)NC(C)(C)C ZINC000820456313 599386706 /nfs/dbraw/zinc/38/67/06/599386706.db2.gz SGXCZOSRNLSGSB-GFCCVEGCSA-N -1 3 398.442 3.513 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000821518448 599387474 /nfs/dbraw/zinc/38/74/74/599387474.db2.gz UVJFJSMZEROPOA-NSHDSACASA-N -1 3 395.398 3.917 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000821518448 599387476 /nfs/dbraw/zinc/38/74/76/599387476.db2.gz UVJFJSMZEROPOA-NSHDSACASA-N -1 3 395.398 3.917 20 0 GHADHM C[C@H](N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404477 599388019 /nfs/dbraw/zinc/38/80/19/599388019.db2.gz WHCHEBYSTXCNPP-HRAATJIYSA-N -1 3 398.470 3.897 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738018416 599391776 /nfs/dbraw/zinc/39/17/76/599391776.db2.gz AGZHWLXZKSQCFP-QGZVFWFLSA-N -1 3 391.500 3.998 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738018416 599391777 /nfs/dbraw/zinc/39/17/77/599391777.db2.gz AGZHWLXZKSQCFP-QGZVFWFLSA-N -1 3 391.500 3.998 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820178446 599408854 /nfs/dbraw/zinc/40/88/54/599408854.db2.gz QMTFSYHSNJSLGB-CABCVRRESA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820178446 599408859 /nfs/dbraw/zinc/40/88/59/599408859.db2.gz QMTFSYHSNJSLGB-CABCVRRESA-N -1 3 394.479 3.775 20 0 GHADHM Fc1ccc(Br)c(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737652483 599415026 /nfs/dbraw/zinc/41/50/26/599415026.db2.gz UTEXZSFIUIZOTF-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Fc1ccc(Br)c(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737652483 599415027 /nfs/dbraw/zinc/41/50/27/599415027.db2.gz UTEXZSFIUIZOTF-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821128711 599425002 /nfs/dbraw/zinc/42/50/02/599425002.db2.gz ZYKXKPNXSCHKOA-HUUCEWRRSA-N -1 3 394.479 3.777 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821128711 599425004 /nfs/dbraw/zinc/42/50/04/599425004.db2.gz ZYKXKPNXSCHKOA-HUUCEWRRSA-N -1 3 394.479 3.777 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000822010026 599426473 /nfs/dbraw/zinc/42/64/73/599426473.db2.gz KOKQQEDUXRTHIN-CQSZACIVSA-N -1 3 389.463 3.525 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000822010026 599426477 /nfs/dbraw/zinc/42/64/77/599426477.db2.gz KOKQQEDUXRTHIN-CQSZACIVSA-N -1 3 389.463 3.525 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000821752348 607377635 /nfs/dbraw/zinc/37/76/35/607377635.db2.gz LGNRSPRKMIFFFR-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000821752348 607377637 /nfs/dbraw/zinc/37/76/37/607377637.db2.gz LGNRSPRKMIFFFR-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccccc2)s1 ZINC000821752678 607379254 /nfs/dbraw/zinc/37/92/54/607379254.db2.gz QQHKRUKTOFUHJS-UHFFFAOYSA-N -1 3 382.474 3.686 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccccc2)s1 ZINC000821752678 607379256 /nfs/dbraw/zinc/37/92/56/607379256.db2.gz QQHKRUKTOFUHJS-UHFFFAOYSA-N -1 3 382.474 3.686 20 0 GHADHM CCO[C@H](C)c1noc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000736616294 599463315 /nfs/dbraw/zinc/46/33/15/599463315.db2.gz NJSFWOAQVLNHSN-CYBMUJFWSA-N -1 3 392.419 3.593 20 0 GHADHM CCO[C@H](C)c1noc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000736616294 599463317 /nfs/dbraw/zinc/46/33/17/599463317.db2.gz NJSFWOAQVLNHSN-CYBMUJFWSA-N -1 3 392.419 3.593 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340251 599475680 /nfs/dbraw/zinc/47/56/80/599475680.db2.gz JCGSSCVXSYEJHP-QWHCGFSZSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340251 599475681 /nfs/dbraw/zinc/47/56/81/599475681.db2.gz JCGSSCVXSYEJHP-QWHCGFSZSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340252 599475879 /nfs/dbraw/zinc/47/58/79/599475879.db2.gz JCGSSCVXSYEJHP-STQMWFEESA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340252 599475880 /nfs/dbraw/zinc/47/58/80/599475880.db2.gz JCGSSCVXSYEJHP-STQMWFEESA-N -1 3 384.871 3.984 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913662 599477017 /nfs/dbraw/zinc/47/70/17/599477017.db2.gz IQHUUXKPZZTUOU-BEFAXECRSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913662 599477020 /nfs/dbraw/zinc/47/70/20/599477020.db2.gz IQHUUXKPZZTUOU-BEFAXECRSA-N -1 3 378.480 3.590 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(OCCC(C)C)CC1 ZINC000822204352 599480518 /nfs/dbraw/zinc/48/05/18/599480518.db2.gz MLJFDUODFLYDPJ-UHFFFAOYSA-N -1 3 398.486 3.894 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(OCCC(C)C)CC1 ZINC000822204352 599480521 /nfs/dbraw/zinc/48/05/21/599480521.db2.gz MLJFDUODFLYDPJ-UHFFFAOYSA-N -1 3 398.486 3.894 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482082 599481617 /nfs/dbraw/zinc/48/16/17/599481617.db2.gz PXZFBRXAYXVSRB-CXAGYDPISA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482082 599481620 /nfs/dbraw/zinc/48/16/20/599481620.db2.gz PXZFBRXAYXVSRB-CXAGYDPISA-N -1 3 380.452 3.630 20 0 GHADHM CCc1nc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)cs1 ZINC000821508787 599495261 /nfs/dbraw/zinc/49/52/61/599495261.db2.gz BBZOFMINDOBCBO-UHFFFAOYSA-N -1 3 383.456 3.518 20 0 GHADHM CCc1nc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)cs1 ZINC000821508787 599495264 /nfs/dbraw/zinc/49/52/64/599495264.db2.gz BBZOFMINDOBCBO-UHFFFAOYSA-N -1 3 383.456 3.518 20 0 GHADHM CCc1nc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)cs1 ZINC000821510105 599495446 /nfs/dbraw/zinc/49/54/46/599495446.db2.gz WXKBKEQGVFVKOJ-UHFFFAOYSA-N -1 3 379.493 3.687 20 0 GHADHM CCc1nc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)cs1 ZINC000821510105 599495447 /nfs/dbraw/zinc/49/54/47/599495447.db2.gz WXKBKEQGVFVKOJ-UHFFFAOYSA-N -1 3 379.493 3.687 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737183202 599504934 /nfs/dbraw/zinc/50/49/34/599504934.db2.gz VURJHOWZETYKJL-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737183202 599504935 /nfs/dbraw/zinc/50/49/35/599504935.db2.gz VURJHOWZETYKJL-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820536818 599509589 /nfs/dbraw/zinc/50/95/89/599509589.db2.gz XTDRWJBPUWQETH-LSDHHAIUSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820536818 599509591 /nfs/dbraw/zinc/50/95/91/599509591.db2.gz XTDRWJBPUWQETH-LSDHHAIUSA-N -1 3 393.491 3.809 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822231976 599510607 /nfs/dbraw/zinc/51/06/07/599510607.db2.gz OXQBTEYSEFPIIK-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822231976 599510608 /nfs/dbraw/zinc/51/06/08/599510608.db2.gz OXQBTEYSEFPIIK-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822229057 599513182 /nfs/dbraw/zinc/51/31/82/599513182.db2.gz LGHVSPMGJJQDSI-JKSUJKDBSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822229057 599513185 /nfs/dbraw/zinc/51/31/85/599513185.db2.gz LGHVSPMGJJQDSI-JKSUJKDBSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820536923 599519206 /nfs/dbraw/zinc/51/92/06/599519206.db2.gz YWJQDCPQSMLVFV-CABCVRRESA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820536923 599519209 /nfs/dbraw/zinc/51/92/09/599519209.db2.gz YWJQDCPQSMLVFV-CABCVRRESA-N -1 3 393.491 3.809 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313686 599525242 /nfs/dbraw/zinc/52/52/42/599525242.db2.gz FPDYHNSNAKJWOE-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820313686 599525244 /nfs/dbraw/zinc/52/52/44/599525244.db2.gz FPDYHNSNAKJWOE-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820321676 599527744 /nfs/dbraw/zinc/52/77/44/599527744.db2.gz KWHPMWRCDYAUJM-CYBMUJFWSA-N -1 3 385.855 3.557 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820321676 599527746 /nfs/dbraw/zinc/52/77/46/599527746.db2.gz KWHPMWRCDYAUJM-CYBMUJFWSA-N -1 3 385.855 3.557 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735513005 599541159 /nfs/dbraw/zinc/54/11/59/599541159.db2.gz LZLGJXCGLXLFEK-ZDUSSCGKSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735513005 599541161 /nfs/dbraw/zinc/54/11/61/599541161.db2.gz LZLGJXCGLXLFEK-ZDUSSCGKSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@@H](NC(=O)Cc1cc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333837 599541339 /nfs/dbraw/zinc/54/13/39/599541339.db2.gz HEEZSVIPTXFGDH-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333837 599541342 /nfs/dbraw/zinc/54/13/42/599541342.db2.gz HEEZSVIPTXFGDH-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccsc1 ZINC000735560296 599541507 /nfs/dbraw/zinc/54/15/07/599541507.db2.gz PRJAELCOVOSLQZ-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccsc1 ZINC000735560296 599541509 /nfs/dbraw/zinc/54/15/09/599541509.db2.gz PRJAELCOVOSLQZ-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000736481679 599542373 /nfs/dbraw/zinc/54/23/73/599542373.db2.gz ZIYOXYZAGWZSQZ-HNNXBMFYSA-N -1 3 381.455 3.623 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000736481679 599542375 /nfs/dbraw/zinc/54/23/75/599542375.db2.gz ZIYOXYZAGWZSQZ-HNNXBMFYSA-N -1 3 381.455 3.623 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820683647 599547384 /nfs/dbraw/zinc/54/73/84/599547384.db2.gz FGDDJQAVTHMLRB-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820683647 599547387 /nfs/dbraw/zinc/54/73/87/599547387.db2.gz FGDDJQAVTHMLRB-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820916100 599550864 /nfs/dbraw/zinc/55/08/64/599550864.db2.gz YTDVUPIWHBMNCW-QGZVFWFLSA-N -1 3 395.511 3.908 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820916100 599550867 /nfs/dbraw/zinc/55/08/67/599550867.db2.gz YTDVUPIWHBMNCW-QGZVFWFLSA-N -1 3 395.511 3.908 20 0 GHADHM C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321377 599552331 /nfs/dbraw/zinc/55/23/31/599552331.db2.gz DQSIZIMIQMZLHB-CQSZACIVSA-N -1 3 397.438 3.982 20 0 GHADHM C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321377 599552333 /nfs/dbraw/zinc/55/23/33/599552333.db2.gz DQSIZIMIQMZLHB-CQSZACIVSA-N -1 3 397.438 3.982 20 0 GHADHM Cc1c(Br)cccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822016307 599558671 /nfs/dbraw/zinc/55/86/71/599558671.db2.gz XCIWLUYHHLIQRJ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(Br)cccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822016307 599558673 /nfs/dbraw/zinc/55/86/73/599558673.db2.gz XCIWLUYHHLIQRJ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM C[C@H](c1cccnc1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736205700 599567398 /nfs/dbraw/zinc/56/73/98/599567398.db2.gz XVBUYIWOHWPTLK-OAHLLOKOSA-N -1 3 399.458 3.839 20 0 GHADHM CC[C@@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)c1ccncc1 ZINC000820927012 599573604 /nfs/dbraw/zinc/57/36/04/599573604.db2.gz YNQSXJUCUCFTJS-OAHLLOKOSA-N -1 3 384.447 3.934 20 0 GHADHM CC[C@@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)c1ccncc1 ZINC000820927012 599573605 /nfs/dbraw/zinc/57/36/05/599573605.db2.gz YNQSXJUCUCFTJS-OAHLLOKOSA-N -1 3 384.447 3.934 20 0 GHADHM Cc1ccc(CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)cc1 ZINC000822236076 599584092 /nfs/dbraw/zinc/58/40/92/599584092.db2.gz IUYXTUHRDVFANH-UHFFFAOYSA-N -1 3 375.398 3.782 20 0 GHADHM Cc1ccc(CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)cc1 ZINC000822236076 599584094 /nfs/dbraw/zinc/58/40/94/599584094.db2.gz IUYXTUHRDVFANH-UHFFFAOYSA-N -1 3 375.398 3.782 20 0 GHADHM CC[C@@H](SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736393320 599598753 /nfs/dbraw/zinc/59/87/53/599598753.db2.gz WRTVPWXAKSZGNU-MRXNPFEDSA-N -1 3 389.431 3.968 20 0 GHADHM CC[C@@H](SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736393320 599598755 /nfs/dbraw/zinc/59/87/55/599598755.db2.gz WRTVPWXAKSZGNU-MRXNPFEDSA-N -1 3 389.431 3.968 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000736478770 599614570 /nfs/dbraw/zinc/61/45/70/599614570.db2.gz BYLKXQCSICJEOP-KRWDZBQOSA-N -1 3 392.507 3.900 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000736478770 599614572 /nfs/dbraw/zinc/61/45/72/599614572.db2.gz BYLKXQCSICJEOP-KRWDZBQOSA-N -1 3 392.507 3.900 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820254720 599630221 /nfs/dbraw/zinc/63/02/21/599630221.db2.gz VPQMPBYWJMNTBP-CYBMUJFWSA-N -1 3 384.459 3.770 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820254720 599630222 /nfs/dbraw/zinc/63/02/22/599630222.db2.gz VPQMPBYWJMNTBP-CYBMUJFWSA-N -1 3 384.459 3.770 20 0 GHADHM CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000820155968 599631738 /nfs/dbraw/zinc/63/17/38/599631738.db2.gz XIVCMZHAVUMZOM-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000820155968 599631739 /nfs/dbraw/zinc/63/17/39/599631739.db2.gz XIVCMZHAVUMZOM-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM O=C([C@@H]1CCCS1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822917103 599632333 /nfs/dbraw/zinc/63/23/33/599632333.db2.gz NNFHAWVPVXXYJA-KRWDZBQOSA-N -1 3 399.907 3.949 20 0 GHADHM O=C([C@@H]1CCCS1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822917103 599632334 /nfs/dbraw/zinc/63/23/34/599632334.db2.gz NNFHAWVPVXXYJA-KRWDZBQOSA-N -1 3 399.907 3.949 20 0 GHADHM CCSc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccn1 ZINC000821461161 599632700 /nfs/dbraw/zinc/63/27/00/599632700.db2.gz KXWAOASHTPGLPS-UHFFFAOYSA-N -1 3 394.382 3.645 20 0 GHADHM CCSc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccn1 ZINC000821461161 599632701 /nfs/dbraw/zinc/63/27/01/599632701.db2.gz KXWAOASHTPGLPS-UHFFFAOYSA-N -1 3 394.382 3.645 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819866601 599633394 /nfs/dbraw/zinc/63/33/94/599633394.db2.gz OIWBNCIJDJTJPK-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819866601 599633395 /nfs/dbraw/zinc/63/33/95/599633395.db2.gz OIWBNCIJDJTJPK-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1C ZINC000821393845 599634612 /nfs/dbraw/zinc/63/46/12/599634612.db2.gz DCSRXUCSOHFKBF-UHFFFAOYSA-N -1 3 391.353 3.845 20 0 GHADHM CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1C ZINC000821393845 599634613 /nfs/dbraw/zinc/63/46/13/599634613.db2.gz DCSRXUCSOHFKBF-UHFFFAOYSA-N -1 3 391.353 3.845 20 0 GHADHM CCc1ccc(N(CC)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821487498 599636743 /nfs/dbraw/zinc/63/67/43/599636743.db2.gz VBDLJTYHHZWUKG-UHFFFAOYSA-N -1 3 375.436 3.506 20 0 GHADHM CCc1ccc(N(CC)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821487498 599636744 /nfs/dbraw/zinc/63/67/44/599636744.db2.gz VBDLJTYHHZWUKG-UHFFFAOYSA-N -1 3 375.436 3.506 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000820151809 599647685 /nfs/dbraw/zinc/64/76/85/599647685.db2.gz NEQAZMAKWVFVLP-HNNXBMFYSA-N -1 3 395.463 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000820151809 599647686 /nfs/dbraw/zinc/64/76/86/599647686.db2.gz NEQAZMAKWVFVLP-HNNXBMFYSA-N -1 3 395.463 3.698 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000822213972 599652027 /nfs/dbraw/zinc/65/20/27/599652027.db2.gz JTGUGJXXKYLBPR-ZHACJKMWSA-N -1 3 387.399 3.587 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000822213972 599652028 /nfs/dbraw/zinc/65/20/28/599652028.db2.gz JTGUGJXXKYLBPR-ZHACJKMWSA-N -1 3 387.399 3.587 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820966617 599655693 /nfs/dbraw/zinc/65/56/93/599655693.db2.gz FPNYJGDDHVNXLA-HNAYVOBHSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc2ccccc21 ZINC000820364501 599665094 /nfs/dbraw/zinc/66/50/94/599665094.db2.gz BUMNYGKYXFDHLB-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc2ccccc21 ZINC000820364501 599665095 /nfs/dbraw/zinc/66/50/95/599665095.db2.gz BUMNYGKYXFDHLB-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233550 599669263 /nfs/dbraw/zinc/66/92/63/599669263.db2.gz REKMRJQAPLVEDV-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233550 599669264 /nfs/dbraw/zinc/66/92/64/599669264.db2.gz REKMRJQAPLVEDV-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820921538 599675942 /nfs/dbraw/zinc/67/59/42/599675942.db2.gz ZFLOSKHXMMOPLH-HNAYVOBHSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820921538 599675943 /nfs/dbraw/zinc/67/59/43/599675943.db2.gz ZFLOSKHXMMOPLH-HNAYVOBHSA-N -1 3 392.507 3.983 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821608276 599678037 /nfs/dbraw/zinc/67/80/37/599678037.db2.gz ABZSEXDKEIBAEK-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821608276 599678038 /nfs/dbraw/zinc/67/80/38/599678038.db2.gz ABZSEXDKEIBAEK-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1C ZINC000822235925 599682572 /nfs/dbraw/zinc/68/25/72/599682572.db2.gz BYWIGZHIFIPTBB-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1C ZINC000822235925 599682573 /nfs/dbraw/zinc/68/25/73/599682573.db2.gz BYWIGZHIFIPTBB-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820076905 599693371 /nfs/dbraw/zinc/69/33/71/599693371.db2.gz WEOSTWBAMYICQE-UHFFFAOYSA-N -1 3 394.479 3.956 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820076905 599693372 /nfs/dbraw/zinc/69/33/72/599693372.db2.gz WEOSTWBAMYICQE-UHFFFAOYSA-N -1 3 394.479 3.956 20 0 GHADHM COc1cccc(OC)c1OC1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000575065603 599710362 /nfs/dbraw/zinc/71/03/62/599710362.db2.gz RVWHKJAANITEMC-LJQANCHMSA-N -1 3 389.423 3.512 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)N(C)C)cc1 ZINC000737259559 599716868 /nfs/dbraw/zinc/71/68/68/599716868.db2.gz SFIMBBDMRNGUHX-SFHVURJKSA-N -1 3 388.443 3.902 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCO3)c2-c2nnn[n-]2)C1 ZINC000819907741 607391466 /nfs/dbraw/zinc/39/14/66/607391466.db2.gz RAXFOQKMMZZXBG-AAEUAGOBSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCO3)c2-c2nn[n-]n2)C1 ZINC000819907741 607391468 /nfs/dbraw/zinc/39/14/68/607391468.db2.gz RAXFOQKMMZZXBG-AAEUAGOBSA-N -1 3 389.525 3.587 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000822399423 607392752 /nfs/dbraw/zinc/39/27/52/607392752.db2.gz HOEKJTBRJWVKQT-BQYQJAHWSA-N -1 3 380.477 3.552 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000822399423 607392754 /nfs/dbraw/zinc/39/27/54/607392754.db2.gz HOEKJTBRJWVKQT-BQYQJAHWSA-N -1 3 380.477 3.552 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)[C@@H]1CCCCO1 ZINC000823350643 607394601 /nfs/dbraw/zinc/39/46/01/607394601.db2.gz VMRZKUCWPWDANL-KRWDZBQOSA-N -1 3 399.838 3.820 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)[C@@H]1CCCCO1 ZINC000823350643 607394602 /nfs/dbraw/zinc/39/46/02/607394602.db2.gz VMRZKUCWPWDANL-KRWDZBQOSA-N -1 3 399.838 3.820 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821772723 607398050 /nfs/dbraw/zinc/39/80/50/607398050.db2.gz NCZVQWXFMSWPHD-UHFFFAOYSA-N -1 3 395.463 3.579 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821772723 607398051 /nfs/dbraw/zinc/39/80/51/607398051.db2.gz NCZVQWXFMSWPHD-UHFFFAOYSA-N -1 3 395.463 3.579 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736723519 599830826 /nfs/dbraw/zinc/83/08/26/599830826.db2.gz GUVFQRCRRISWSR-JXFKEZNVSA-N -1 3 381.476 3.661 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1-c1nnn[n-]1 ZINC000820170119 607399963 /nfs/dbraw/zinc/39/99/63/607399963.db2.gz QXIQWQCNRIKGRJ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1-c1nn[n-]n1 ZINC000820170119 607399965 /nfs/dbraw/zinc/39/99/65/607399965.db2.gz QXIQWQCNRIKGRJ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000820161655 607399976 /nfs/dbraw/zinc/39/99/76/607399976.db2.gz ZJJZAPUBHALKMB-NEPJUHHUSA-N -1 3 397.401 3.961 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000820161655 607399978 /nfs/dbraw/zinc/39/99/78/607399978.db2.gz ZJJZAPUBHALKMB-NEPJUHHUSA-N -1 3 397.401 3.961 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820161332 607402052 /nfs/dbraw/zinc/40/20/52/607402052.db2.gz VMLZPORAXMFETH-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820161332 607402053 /nfs/dbraw/zinc/40/20/53/607402053.db2.gz VMLZPORAXMFETH-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000826253785 607403166 /nfs/dbraw/zinc/40/31/66/607403166.db2.gz DKBROKHDMXZFFE-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000826253785 607403167 /nfs/dbraw/zinc/40/31/67/607403167.db2.gz DKBROKHDMXZFFE-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM COc1cccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)N2CCCC2)c1 ZINC000738090055 600017761 /nfs/dbraw/zinc/01/77/61/600017761.db2.gz FUOHIUBBWAWEHH-HXUWFJFHSA-N -1 3 397.475 3.660 20 0 GHADHM O=C([O-])c1ccc(-c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)cc1 ZINC000740101689 600111753 /nfs/dbraw/zinc/11/17/53/600111753.db2.gz ROMHGLTXKLRQPQ-KRWDZBQOSA-N -1 3 381.407 3.954 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3c2cccc3F)cc1-c1nnn[n-]1 ZINC000820166678 607427891 /nfs/dbraw/zinc/42/78/91/607427891.db2.gz ZSKZMCAVRAFHGH-QGZVFWFLSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3c2cccc3F)cc1-c1nn[n-]n1 ZINC000820166678 607427892 /nfs/dbraw/zinc/42/78/92/607427892.db2.gz ZSKZMCAVRAFHGH-QGZVFWFLSA-N -1 3 396.426 3.602 20 0 GHADHM CCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC000821021817 607428224 /nfs/dbraw/zinc/42/82/24/607428224.db2.gz PFAAXGKBXBOKFN-QGZVFWFLSA-N -1 3 395.467 3.712 20 0 GHADHM CCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC000821021817 607428226 /nfs/dbraw/zinc/42/82/26/607428226.db2.gz PFAAXGKBXBOKFN-QGZVFWFLSA-N -1 3 395.467 3.712 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826322963 607432441 /nfs/dbraw/zinc/43/24/41/607432441.db2.gz JHNCWVMBNUMQIA-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826322963 607432443 /nfs/dbraw/zinc/43/24/43/607432443.db2.gz JHNCWVMBNUMQIA-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CN(C(=O)c1cc2cc(Br)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825319 607434228 /nfs/dbraw/zinc/43/42/28/607434228.db2.gz AFNUSRBFHLNLPS-UHFFFAOYSA-N -1 3 398.220 3.652 20 0 GHADHM CN(C(=O)c1cc2cc(Br)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825319 607434231 /nfs/dbraw/zinc/43/42/31/607434231.db2.gz AFNUSRBFHLNLPS-UHFFFAOYSA-N -1 3 398.220 3.652 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000739489981 600398391 /nfs/dbraw/zinc/39/83/91/600398391.db2.gz XWGMDQXUHRJVRU-GOSISDBHSA-N -1 3 387.867 3.752 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000739383158 600398690 /nfs/dbraw/zinc/39/86/90/600398690.db2.gz VMPCFFSOCRZMIX-SFHVURJKSA-N -1 3 393.915 3.562 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 ZINC000738509497 600426827 /nfs/dbraw/zinc/42/68/27/600426827.db2.gz GSBLLIXNZGSICX-HXUWFJFHSA-N -1 3 378.403 3.994 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 ZINC000738509495 600427026 /nfs/dbraw/zinc/42/70/26/600427026.db2.gz GSBLLIXNZGSICX-FQEVSTJZSA-N -1 3 378.403 3.994 20 0 GHADHM Cc1cc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(Br)c1 ZINC000826263862 607444257 /nfs/dbraw/zinc/44/42/57/607444257.db2.gz SXXLKWLXTZDEOP-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM Cc1cc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(Br)c1 ZINC000826263862 607444258 /nfs/dbraw/zinc/44/42/58/607444258.db2.gz SXXLKWLXTZDEOP-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826423342 607444382 /nfs/dbraw/zinc/44/43/82/607444382.db2.gz KSLNMABNGWTVAB-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826423342 607444383 /nfs/dbraw/zinc/44/43/83/607444383.db2.gz KSLNMABNGWTVAB-UHFFFAOYSA-N -1 3 397.744 3.600 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824135883 607467651 /nfs/dbraw/zinc/46/76/51/607467651.db2.gz JMYXBOAAZIZBGJ-WDZFZDKYSA-N -1 3 399.458 3.759 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824135883 607467652 /nfs/dbraw/zinc/46/76/52/607467652.db2.gz JMYXBOAAZIZBGJ-WDZFZDKYSA-N -1 3 399.458 3.759 20 0 GHADHM CN(C)Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000737370644 600801949 /nfs/dbraw/zinc/80/19/49/600801949.db2.gz OHXLNRALLWGGHE-HXUWFJFHSA-N -1 3 382.504 3.992 20 0 GHADHM CN(Cc1ccc(I)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000115902281 600985606 /nfs/dbraw/zinc/98/56/06/600985606.db2.gz ZCXQJFXMNMOLRY-UHFFFAOYSA-N -1 3 381.213 3.621 20 0 GHADHM CN(CCCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830773362 601014440 /nfs/dbraw/zinc/01/44/40/601014440.db2.gz VHPHJVVRJAIUJA-CQSZACIVSA-N -1 3 391.295 3.966 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(Oc2ccccn2)cc1 ZINC000821749570 607490207 /nfs/dbraw/zinc/49/02/07/607490207.db2.gz SDOWIYCYQGLJNZ-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823323318 607503291 /nfs/dbraw/zinc/50/32/91/607503291.db2.gz KOAWIIPGKOGANG-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823323318 607503292 /nfs/dbraw/zinc/50/32/92/607503292.db2.gz KOAWIIPGKOGANG-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819946756 607501596 /nfs/dbraw/zinc/50/15/96/607501596.db2.gz PDWOWCWRKFRXBA-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819946756 607501597 /nfs/dbraw/zinc/50/15/97/607501597.db2.gz PDWOWCWRKFRXBA-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000832914161 601500148 /nfs/dbraw/zinc/50/01/48/601500148.db2.gz BQXCSIHBJSOPFZ-SJORKVTESA-N -1 3 395.503 3.971 20 0 GHADHM O=C([O-])CC1(NCc2nnc(-c3ccccc3Br)o2)CCCCC1 ZINC000833205833 601554421 /nfs/dbraw/zinc/55/44/21/601554421.db2.gz OIKFMZHRRGIPNP-UHFFFAOYSA-N -1 3 394.269 3.766 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccccc1 ZINC000826045757 601656421 /nfs/dbraw/zinc/65/64/21/601656421.db2.gz YHUMFMGFKZNVKJ-UWJYYQICSA-N -1 3 382.504 3.865 20 0 GHADHM COc1cc([C@H](C)NCc2c[nH]c(C(=O)[O-])c2)ccc1OCc1ccncc1 ZINC000831955395 601831621 /nfs/dbraw/zinc/83/16/21/601831621.db2.gz KADZMJCVRZXHKG-AWEZNQCLSA-N -1 3 381.432 3.546 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000662218494 601845542 /nfs/dbraw/zinc/84/55/42/601845542.db2.gz PFJWJZYYFJGBKS-IAGOWNOFSA-N -1 3 382.504 3.982 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000662218495 601845556 /nfs/dbraw/zinc/84/55/56/601845556.db2.gz PFJWJZYYFJGBKS-IRXDYDNUSA-N -1 3 382.504 3.982 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000832914112 601854368 /nfs/dbraw/zinc/85/43/68/601854368.db2.gz AOXHPIHDOKMBAR-HZPDHXFCSA-N -1 3 392.459 3.557 20 0 GHADHM COc1cc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)ccc1C ZINC000826176151 607530975 /nfs/dbraw/zinc/53/09/75/607530975.db2.gz DHUKRCRUAWZJEG-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1cc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)ccc1C ZINC000826176151 607530976 /nfs/dbraw/zinc/53/09/76/607530976.db2.gz DHUKRCRUAWZJEG-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSCc2ncc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826207764 607534633 /nfs/dbraw/zinc/53/46/33/607534633.db2.gz CDQRWQRSLYMFBB-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1ccc(CSCc2ncc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000826207764 607534634 /nfs/dbraw/zinc/53/46/34/607534634.db2.gz CDQRWQRSLYMFBB-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM CN(C)[C@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000830581383 601954345 /nfs/dbraw/zinc/95/43/45/601954345.db2.gz NOOWUXOKZSEAIT-MRXNPFEDSA-N -1 3 395.381 3.828 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833166906 601971626 /nfs/dbraw/zinc/97/16/26/601971626.db2.gz WNSMRLSANGCYSV-KRWDZBQOSA-N -1 3 391.258 3.549 20 0 GHADHM Cc1cccc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)c1-c1nnn[n-]1 ZINC000826303723 607538306 /nfs/dbraw/zinc/53/83/06/607538306.db2.gz BNARFFNLDDVRSN-UHFFFAOYSA-N -1 3 399.810 3.567 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000740705720 602026383 /nfs/dbraw/zinc/02/63/83/602026383.db2.gz UEIFEKABGRFYGV-CQSZACIVSA-N -1 3 389.402 3.905 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC000832049032 602166457 /nfs/dbraw/zinc/16/64/57/602166457.db2.gz DIBYGJXUVVMUTE-ZUOKHONESA-N -1 3 389.448 3.506 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739055794 602276733 /nfs/dbraw/zinc/27/67/33/602276733.db2.gz CGLKMISFOGMPNA-KXBFYZLASA-N -1 3 394.475 3.684 20 0 GHADHM CN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830500881 602364376 /nfs/dbraw/zinc/36/43/76/602364376.db2.gz XGGMRBOVARPVGY-INIZCTEOSA-N -1 3 386.427 3.654 20 0 GHADHM CN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830500818 602366636 /nfs/dbraw/zinc/36/66/36/602366636.db2.gz WKWFDVXNPYIANF-FQEVSTJZSA-N -1 3 395.503 3.787 20 0 GHADHM C[C@H](NC(=O)[O-])C1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000739013803 602446714 /nfs/dbraw/zinc/44/67/14/602446714.db2.gz FYODZBCUQQZICJ-INIZCTEOSA-N -1 3 381.476 3.807 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825158914 607573379 /nfs/dbraw/zinc/57/33/79/607573379.db2.gz DQCJZXNHTBFHPF-SFHVURJKSA-N -1 3 394.479 3.558 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825158914 607573382 /nfs/dbraw/zinc/57/33/82/607573382.db2.gz DQCJZXNHTBFHPF-SFHVURJKSA-N -1 3 394.479 3.558 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)N(C)C)cc1 ZINC000740119040 603289382 /nfs/dbraw/zinc/28/93/82/603289382.db2.gz TVCSZVVYTZATAB-QGZVFWFLSA-N -1 3 375.856 3.771 20 0 GHADHM CCN(Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000739449527 603352235 /nfs/dbraw/zinc/35/22/35/603352235.db2.gz XLNYIYBVCOFWRK-IBGZPJMESA-N -1 3 384.480 3.611 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826298360 607660759 /nfs/dbraw/zinc/66/07/59/607660759.db2.gz PFFYWQLVKKVWLT-UHFFFAOYSA-N -1 3 387.443 3.919 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826298360 607660760 /nfs/dbraw/zinc/66/07/60/607660760.db2.gz PFFYWQLVKKVWLT-UHFFFAOYSA-N -1 3 387.443 3.919 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000826250728 607667190 /nfs/dbraw/zinc/66/71/90/607667190.db2.gz PGDLKXCQMLJAAE-UHFFFAOYSA-N -1 3 389.415 3.737 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000826250728 607667192 /nfs/dbraw/zinc/66/71/92/607667192.db2.gz PGDLKXCQMLJAAE-UHFFFAOYSA-N -1 3 389.415 3.737 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H]1CCc2ccccc2C1 ZINC000825302045 607669480 /nfs/dbraw/zinc/66/94/80/607669480.db2.gz UIAGRQSJYJUFSB-LJQANCHMSA-N -1 3 375.476 3.585 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H]1CCc2ccccc2C1 ZINC000825302045 607669482 /nfs/dbraw/zinc/66/94/82/607669482.db2.gz UIAGRQSJYJUFSB-LJQANCHMSA-N -1 3 375.476 3.585 20 0 GHADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825639206 607669911 /nfs/dbraw/zinc/66/99/11/607669911.db2.gz UYLHCAUVIKZPRK-UHFFFAOYSA-N -1 3 391.353 3.845 20 0 GHADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825639206 607669912 /nfs/dbraw/zinc/66/99/12/607669912.db2.gz UYLHCAUVIKZPRK-UHFFFAOYSA-N -1 3 391.353 3.845 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000830308728 604084098 /nfs/dbraw/zinc/08/40/98/604084098.db2.gz MCQAHRRECZGGIS-KRWDZBQOSA-N -1 3 375.856 3.657 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826316727 607671514 /nfs/dbraw/zinc/67/15/14/607671514.db2.gz WVGDGLHZNDCCAD-ZIAGYGMSSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826316727 607671515 /nfs/dbraw/zinc/67/15/15/607671515.db2.gz WVGDGLHZNDCCAD-ZIAGYGMSSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)n1 ZINC000826320209 607680698 /nfs/dbraw/zinc/68/06/98/607680698.db2.gz JORMYDAUWQVGMG-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000826320209 607680700 /nfs/dbraw/zinc/68/07/00/607680700.db2.gz JORMYDAUWQVGMG-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCOc1cc(C)ccc1C(C)C ZINC000826174132 607687100 /nfs/dbraw/zinc/68/71/00/607687100.db2.gz JNYHWJWFFCLPHM-UHFFFAOYSA-N -1 3 396.447 3.682 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCOc1cc(C)ccc1C(C)C ZINC000826174132 607687103 /nfs/dbraw/zinc/68/71/03/607687103.db2.gz JNYHWJWFFCLPHM-UHFFFAOYSA-N -1 3 396.447 3.682 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826233402 607693932 /nfs/dbraw/zinc/69/39/32/607693932.db2.gz GCLJQPBTIJRIJO-JTQLQIEISA-N -1 3 380.839 3.801 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826233402 607693934 /nfs/dbraw/zinc/69/39/34/607693934.db2.gz GCLJQPBTIJRIJO-JTQLQIEISA-N -1 3 380.839 3.801 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000826250745 607703764 /nfs/dbraw/zinc/70/37/64/607703764.db2.gz PXHNBOITTRCRFI-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000826250745 607703766 /nfs/dbraw/zinc/70/37/66/607703766.db2.gz PXHNBOITTRCRFI-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c(C)s1 ZINC000826323746 607706032 /nfs/dbraw/zinc/70/60/32/607706032.db2.gz PTXAONUZRDOZGC-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323746 607706034 /nfs/dbraw/zinc/70/60/34/607706034.db2.gz PTXAONUZRDOZGC-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM COc1cc(N[C@@H]2CCCN([C@H](C(=O)[O-])c3ccccc3F)C2)cc(OC)c1 ZINC000832026285 604801338 /nfs/dbraw/zinc/80/13/38/604801338.db2.gz KVRJCXNGYQRCOA-VLIAUNLRSA-N -1 3 388.439 3.545 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 ZINC000826176413 607719558 /nfs/dbraw/zinc/71/95/58/607719558.db2.gz OHJDJKASALQVBC-HNNXBMFYSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 ZINC000826176413 607719560 /nfs/dbraw/zinc/71/95/60/607719560.db2.gz OHJDJKASALQVBC-HNNXBMFYSA-N -1 3 379.420 3.652 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825076510 607723556 /nfs/dbraw/zinc/72/35/56/607723556.db2.gz VZFYSNPUTQRGII-HNNXBMFYSA-N -1 3 395.463 3.508 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825076510 607723559 /nfs/dbraw/zinc/72/35/59/607723559.db2.gz VZFYSNPUTQRGII-HNNXBMFYSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826271721 607724426 /nfs/dbraw/zinc/72/44/26/607724426.db2.gz DTZCKYCXVIHUTD-CQSZACIVSA-N -1 3 388.431 3.896 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826271721 607724428 /nfs/dbraw/zinc/72/44/28/607724428.db2.gz DTZCKYCXVIHUTD-CQSZACIVSA-N -1 3 388.431 3.896 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410465 604945692 /nfs/dbraw/zinc/94/56/92/604945692.db2.gz XYTMHYLRDMGTPY-CHWSQXEVSA-N -1 3 397.313 3.599 20 0 GHADHM O=C([O-])[C@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1cccnc1 ZINC000833170452 605000602 /nfs/dbraw/zinc/00/06/02/605000602.db2.gz WBHFIEWXJAJQPA-HSZRJFAPSA-N -1 3 398.466 3.909 20 0 GHADHM CC(C)NC(=O)Nc1ccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000833502653 605002160 /nfs/dbraw/zinc/00/21/60/605002160.db2.gz FVRDCXBHTWKARY-HNNXBMFYSA-N -1 3 385.464 3.531 20 0 GHADHM CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000833502655 605002551 /nfs/dbraw/zinc/00/25/51/605002551.db2.gz FVRDCXBHTWKARY-OAHLLOKOSA-N -1 3 385.464 3.531 20 0 GHADHM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000263484520 605076969 /nfs/dbraw/zinc/07/69/69/605076969.db2.gz OZQYEGIGJALVIM-HXUWFJFHSA-N -1 3 396.487 3.627 20 0 GHADHM O[C@H](c1ccccc1)C1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000826504659 607735344 /nfs/dbraw/zinc/73/53/44/607735344.db2.gz AQIYXHMHGFBWDP-MRXNPFEDSA-N -1 3 389.381 3.811 20 0 GHADHM O[C@H](c1ccccc1)C1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000826504659 607735345 /nfs/dbraw/zinc/73/53/45/607735345.db2.gz AQIYXHMHGFBWDP-MRXNPFEDSA-N -1 3 389.381 3.811 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000825532658 607761102 /nfs/dbraw/zinc/76/11/02/607761102.db2.gz WQWHBLXWLJAZDG-CABCVRRESA-N -1 3 398.467 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000825532658 607761103 /nfs/dbraw/zinc/76/11/03/607761103.db2.gz WQWHBLXWLJAZDG-CABCVRRESA-N -1 3 398.467 3.590 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000833420232 605553083 /nfs/dbraw/zinc/55/30/83/605553083.db2.gz PFBBGDVEMFUVSA-ZDUSSCGKSA-N -1 3 398.297 3.543 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826433453 607763871 /nfs/dbraw/zinc/76/38/71/607763871.db2.gz GVCBRJJYKHEJDX-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826433453 607763872 /nfs/dbraw/zinc/76/38/72/607763872.db2.gz GVCBRJJYKHEJDX-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)NC(CC)(CC)CC)cc1-c1nnn[n-]1 ZINC000825539094 607767448 /nfs/dbraw/zinc/76/74/48/607767448.db2.gz MJMMHYUHIFTZRQ-UHFFFAOYSA-N -1 3 389.460 3.525 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)NC(CC)(CC)CC)cc1-c1nn[n-]n1 ZINC000825539094 607767449 /nfs/dbraw/zinc/76/74/49/607767449.db2.gz MJMMHYUHIFTZRQ-UHFFFAOYSA-N -1 3 389.460 3.525 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826268448 607768768 /nfs/dbraw/zinc/76/87/68/607768768.db2.gz XRRVKKRAASPJPT-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826268448 607768769 /nfs/dbraw/zinc/76/87/69/607768769.db2.gz XRRVKKRAASPJPT-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CSc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826230370 607768799 /nfs/dbraw/zinc/76/87/99/607768799.db2.gz PVLNMJUOHXQEQT-UHFFFAOYSA-N -1 3 394.485 3.964 20 0 GHADHM CSc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826230370 607768800 /nfs/dbraw/zinc/76/88/00/607768800.db2.gz PVLNMJUOHXQEQT-UHFFFAOYSA-N -1 3 394.485 3.964 20 0 GHADHM CC(C)c1nc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cs1 ZINC000824358525 607770299 /nfs/dbraw/zinc/77/02/99/607770299.db2.gz MLQZNVWIAHQQIQ-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM CC(C)c1nc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cs1 ZINC000824358525 607770300 /nfs/dbraw/zinc/77/03/00/607770300.db2.gz MLQZNVWIAHQQIQ-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1Cl ZINC000826459537 607771750 /nfs/dbraw/zinc/77/17/50/607771750.db2.gz NZBIELSBSQNQOZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1Cl ZINC000826459537 607771751 /nfs/dbraw/zinc/77/17/51/607771751.db2.gz NZBIELSBSQNQOZ-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1NCc1nccn1CCc1ccccc1 ZINC000834109727 605990828 /nfs/dbraw/zinc/99/08/28/605990828.db2.gz UVVZLJZPCIARAF-VAMGGRTRSA-N -1 3 382.508 3.527 20 0 GHADHM O=C([O-])Nc1ccccc1CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000834270794 606057586 /nfs/dbraw/zinc/05/75/86/606057586.db2.gz CEXRAMAIHJDIAM-FQEVSTJZSA-N -1 3 381.476 3.662 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)ccc1NC1CC1 ZINC000822978444 606068898 /nfs/dbraw/zinc/06/88/98/606068898.db2.gz LCTUMMXZGHYUQA-UHFFFAOYSA-N -1 3 382.855 3.666 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1NC1CC1 ZINC000822978444 606068902 /nfs/dbraw/zinc/06/89/02/606068902.db2.gz LCTUMMXZGHYUQA-UHFFFAOYSA-N -1 3 382.855 3.666 20 0 GHADHM C[C@@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774357 606091381 /nfs/dbraw/zinc/09/13/81/606091381.db2.gz BHNGXUWGTBOPTF-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774357 606091383 /nfs/dbraw/zinc/09/13/83/606091383.db2.gz BHNGXUWGTBOPTF-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000531310626 606098906 /nfs/dbraw/zinc/09/89/06/606098906.db2.gz VDBPNYMHSFPBBV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000531310626 606098908 /nfs/dbraw/zinc/09/89/08/606098908.db2.gz VDBPNYMHSFPBBV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CC12CCCC2 ZINC000823367570 606148518 /nfs/dbraw/zinc/14/85/18/606148518.db2.gz LABKBBHREYJBID-IBGZPJMESA-N -1 3 389.459 3.965 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1CC12CCCC2 ZINC000823367570 606148519 /nfs/dbraw/zinc/14/85/19/606148519.db2.gz LABKBBHREYJBID-IBGZPJMESA-N -1 3 389.459 3.965 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562145 606149426 /nfs/dbraw/zinc/14/94/26/606149426.db2.gz DNSMTIQTHSTBMG-KGLIPLIRSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562145 606149428 /nfs/dbraw/zinc/14/94/28/606149428.db2.gz DNSMTIQTHSTBMG-KGLIPLIRSA-N -1 3 383.883 3.713 20 0 GHADHM CSc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821983935 606151147 /nfs/dbraw/zinc/15/11/47/606151147.db2.gz KWPNGKATTMDNMG-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CSc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821983935 606151148 /nfs/dbraw/zinc/15/11/48/606151148.db2.gz KWPNGKATTMDNMG-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820373853 606153812 /nfs/dbraw/zinc/15/38/12/606153812.db2.gz JXJGSDGHOMYVSA-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820373853 606153813 /nfs/dbraw/zinc/15/38/13/606153813.db2.gz JXJGSDGHOMYVSA-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380660 606155055 /nfs/dbraw/zinc/15/50/55/606155055.db2.gz XYVFGBUMKCPCQG-CYBMUJFWSA-N -1 3 392.463 3.978 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380660 606155057 /nfs/dbraw/zinc/15/50/57/606155057.db2.gz XYVFGBUMKCPCQG-CYBMUJFWSA-N -1 3 392.463 3.978 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2cccc(F)c2)o1 ZINC000821412935 606155877 /nfs/dbraw/zinc/15/58/77/606155877.db2.gz UUFZCLZILJCAEZ-UHFFFAOYSA-N -1 3 380.383 3.672 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2cccc(F)c2)o1 ZINC000821412935 606155878 /nfs/dbraw/zinc/15/58/78/606155878.db2.gz UUFZCLZILJCAEZ-UHFFFAOYSA-N -1 3 380.383 3.672 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822941286 606206712 /nfs/dbraw/zinc/20/67/12/606206712.db2.gz SYDDNPRNJQRRHR-IBGZPJMESA-N -1 3 389.459 3.525 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822941286 606206714 /nfs/dbraw/zinc/20/67/14/606206714.db2.gz SYDDNPRNJQRRHR-IBGZPJMESA-N -1 3 389.459 3.525 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820570412 606222597 /nfs/dbraw/zinc/22/25/97/606222597.db2.gz JISJSXSHXLLFOV-CQSZACIVSA-N -1 3 392.488 3.670 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820570412 606222599 /nfs/dbraw/zinc/22/25/99/606222599.db2.gz JISJSXSHXLLFOV-CQSZACIVSA-N -1 3 392.488 3.670 20 0 GHADHM CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820919959 606249666 /nfs/dbraw/zinc/24/96/66/606249666.db2.gz IDOXZAYVDUXKKB-MRXNPFEDSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820919959 606249668 /nfs/dbraw/zinc/24/96/68/606249668.db2.gz IDOXZAYVDUXKKB-MRXNPFEDSA-N -1 3 390.472 3.871 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)C1 ZINC000820696706 606263393 /nfs/dbraw/zinc/26/33/93/606263393.db2.gz BHNZTXWXFVZBFT-GUYCJALGSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)C1 ZINC000820696706 606263396 /nfs/dbraw/zinc/26/33/96/606263396.db2.gz BHNZTXWXFVZBFT-GUYCJALGSA-N -1 3 380.452 3.542 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823355958 606274671 /nfs/dbraw/zinc/27/46/71/606274671.db2.gz HDTAQJRYWNYUFD-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823355958 606274673 /nfs/dbraw/zinc/27/46/73/606274673.db2.gz HDTAQJRYWNYUFD-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000823323443 606290971 /nfs/dbraw/zinc/29/09/71/606290971.db2.gz OEYKOUJWVQIWPH-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1sccc1-c1nn[n-]n1 ZINC000823323443 606290973 /nfs/dbraw/zinc/29/09/73/606290973.db2.gz OEYKOUJWVQIWPH-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM C[C@@H](S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccs1 ZINC000820548867 606312405 /nfs/dbraw/zinc/31/24/05/606312405.db2.gz GZARKTBUVCIAGS-SKDRFNHKSA-N -1 3 377.520 3.589 20 0 GHADHM C[C@@H](S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1cccs1 ZINC000820548867 606312406 /nfs/dbraw/zinc/31/24/06/606312406.db2.gz GZARKTBUVCIAGS-SKDRFNHKSA-N -1 3 377.520 3.589 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1-c1cccc(Cl)c1 ZINC000822563396 606315517 /nfs/dbraw/zinc/31/55/17/606315517.db2.gz HSWSCTXOIXGRTJ-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1-c1cccc(Cl)c1 ZINC000822563396 606315519 /nfs/dbraw/zinc/31/55/19/606315519.db2.gz HSWSCTXOIXGRTJ-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820556407 606325818 /nfs/dbraw/zinc/32/58/18/606325818.db2.gz SYZWRWWFJFYLEK-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000820556407 606325819 /nfs/dbraw/zinc/32/58/19/606325819.db2.gz SYZWRWWFJFYLEK-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000820335173 606328533 /nfs/dbraw/zinc/32/85/33/606328533.db2.gz VEEUESOZQRQXHI-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000820335173 606328535 /nfs/dbraw/zinc/32/85/35/606328535.db2.gz VEEUESOZQRQXHI-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM CC[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820913514 606328773 /nfs/dbraw/zinc/32/87/73/606328773.db2.gz HNUYLQCKBUMZOB-INIZCTEOSA-N -1 3 387.896 3.880 20 0 GHADHM CC[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820913514 606328775 /nfs/dbraw/zinc/32/87/75/606328775.db2.gz HNUYLQCKBUMZOB-INIZCTEOSA-N -1 3 387.896 3.880 20 0 GHADHM CC(C)[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820028408 606328779 /nfs/dbraw/zinc/32/87/79/606328779.db2.gz YRWLFDZXHXXVDI-SFHVURJKSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820028408 606328781 /nfs/dbraw/zinc/32/87/81/606328781.db2.gz YRWLFDZXHXXVDI-SFHVURJKSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820666736 606348728 /nfs/dbraw/zinc/34/87/28/606348728.db2.gz JHBVGHXRHSPQBG-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820666736 606348730 /nfs/dbraw/zinc/34/87/30/606348730.db2.gz JHBVGHXRHSPQBG-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820742433 606357063 /nfs/dbraw/zinc/35/70/63/606357063.db2.gz JUOOKMSVTSOBNW-XJKSGUPXSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820742433 606357065 /nfs/dbraw/zinc/35/70/65/606357065.db2.gz JUOOKMSVTSOBNW-XJKSGUPXSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497481 606357347 /nfs/dbraw/zinc/35/73/47/606357347.db2.gz SBKCPSNNUBXRPH-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497481 606357348 /nfs/dbraw/zinc/35/73/48/606357348.db2.gz SBKCPSNNUBXRPH-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM CCc1onc(C)c1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821564011 606360151 /nfs/dbraw/zinc/36/01/51/606360151.db2.gz PPIJIVWRYOQNTQ-UHFFFAOYSA-N -1 3 391.387 3.737 20 0 GHADHM CCc1onc(C)c1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821564011 606360154 /nfs/dbraw/zinc/36/01/54/606360154.db2.gz PPIJIVWRYOQNTQ-UHFFFAOYSA-N -1 3 391.387 3.737 20 0 GHADHM O=C(CCc1ccco1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822982670 606361726 /nfs/dbraw/zinc/36/17/26/606361726.db2.gz GINUIRMYJSSGTH-UHFFFAOYSA-N -1 3 376.372 3.790 20 0 GHADHM O=C(CCc1ccco1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822982670 606361727 /nfs/dbraw/zinc/36/17/27/606361727.db2.gz GINUIRMYJSSGTH-UHFFFAOYSA-N -1 3 376.372 3.790 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487811 606397611 /nfs/dbraw/zinc/39/76/11/606397611.db2.gz JIFVKBUEFBNFRL-GFCCVEGCSA-N -1 3 384.823 3.787 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487811 606397613 /nfs/dbraw/zinc/39/76/13/606397613.db2.gz JIFVKBUEFBNFRL-GFCCVEGCSA-N -1 3 384.823 3.787 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000821703215 606398490 /nfs/dbraw/zinc/39/84/90/606398490.db2.gz UVRRNOXBZKDRDS-CYBMUJFWSA-N -1 3 382.420 3.581 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000821703215 606398493 /nfs/dbraw/zinc/39/84/93/606398493.db2.gz UVRRNOXBZKDRDS-CYBMUJFWSA-N -1 3 382.420 3.581 20 0 GHADHM COc1cccc(C[C@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821862480 606399639 /nfs/dbraw/zinc/39/96/39/606399639.db2.gz BSZKEWBJDCMTIQ-MRXNPFEDSA-N -1 3 386.459 3.635 20 0 GHADHM COc1cccc(C[C@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821862480 606399641 /nfs/dbraw/zinc/39/96/41/606399641.db2.gz BSZKEWBJDCMTIQ-MRXNPFEDSA-N -1 3 386.459 3.635 20 0 GHADHM COc1ccccc1C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821891107 606401114 /nfs/dbraw/zinc/40/11/14/606401114.db2.gz VRRIEYTXZDAPAH-INIZCTEOSA-N -1 3 386.459 3.635 20 0 GHADHM COc1ccccc1C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821891107 606401116 /nfs/dbraw/zinc/40/11/16/606401116.db2.gz VRRIEYTXZDAPAH-INIZCTEOSA-N -1 3 386.459 3.635 20 0 GHADHM Cc1ccccc1OCCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822366327 606413537 /nfs/dbraw/zinc/41/35/37/606413537.db2.gz HYQPDRZPAPZACE-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccccc1OCCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822366327 606413538 /nfs/dbraw/zinc/41/35/38/606413538.db2.gz HYQPDRZPAPZACE-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820741055 606422514 /nfs/dbraw/zinc/42/25/14/606422514.db2.gz BCGQJEIMRFMHNP-OKILXGFUSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820741055 606422515 /nfs/dbraw/zinc/42/25/15/606422515.db2.gz BCGQJEIMRFMHNP-OKILXGFUSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000820511667 606436931 /nfs/dbraw/zinc/43/69/31/606436931.db2.gz ASNFDKFOWXVCQM-NWDGAFQWSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000820511667 606436932 /nfs/dbraw/zinc/43/69/32/606436932.db2.gz ASNFDKFOWXVCQM-NWDGAFQWSA-N -1 3 379.445 3.825 20 0 GHADHM COc1ccc(OC)c([C@@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821841120 606443619 /nfs/dbraw/zinc/44/36/19/606443619.db2.gz CHAVPHZBCTYSQY-INIZCTEOSA-N -1 3 387.390 3.504 20 0 GHADHM COc1ccc(OC)c([C@@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821841120 606443621 /nfs/dbraw/zinc/44/36/21/606443621.db2.gz CHAVPHZBCTYSQY-INIZCTEOSA-N -1 3 387.390 3.504 20 0 GHADHM CC1(CNC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CC1 ZINC000820618983 606446262 /nfs/dbraw/zinc/44/62/62/606446262.db2.gz VHGXOVXLOHTMSV-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM CN(C(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000821574745 606448679 /nfs/dbraw/zinc/44/86/79/606448679.db2.gz VPRMHYZYJIQLEQ-UHFFFAOYSA-N -1 3 390.491 3.884 20 0 GHADHM CN(C(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000821574745 606448681 /nfs/dbraw/zinc/44/86/81/606448681.db2.gz VPRMHYZYJIQLEQ-UHFFFAOYSA-N -1 3 390.491 3.884 20 0 GHADHM CC(C)OCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000820146026 606457061 /nfs/dbraw/zinc/45/70/61/606457061.db2.gz IXPVNWRWNFUJHI-UHFFFAOYSA-N -1 3 387.871 3.936 20 0 GHADHM CC(C)OCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000820146026 606457062 /nfs/dbraw/zinc/45/70/62/606457062.db2.gz IXPVNWRWNFUJHI-UHFFFAOYSA-N -1 3 387.871 3.936 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823181972 606479177 /nfs/dbraw/zinc/47/91/77/606479177.db2.gz GTWKRDTWASVVRZ-UHFFFAOYSA-N -1 3 389.484 3.880 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823181972 606479179 /nfs/dbraw/zinc/47/91/79/606479179.db2.gz GTWKRDTWASVVRZ-UHFFFAOYSA-N -1 3 389.484 3.880 20 0 GHADHM O=C(Nc1nc2c(ccc3ccccc23)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823379971 606479538 /nfs/dbraw/zinc/47/95/38/606479538.db2.gz NAUXSDQAEQQUKV-UHFFFAOYSA-N -1 3 378.442 3.943 20 0 GHADHM O=C(Nc1nc2c(ccc3ccccc23)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823379971 606479540 /nfs/dbraw/zinc/47/95/40/606479540.db2.gz NAUXSDQAEQQUKV-UHFFFAOYSA-N -1 3 378.442 3.943 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563727 606504557 /nfs/dbraw/zinc/50/45/57/606504557.db2.gz UMDLSMKREDKWTR-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563727 606504560 /nfs/dbraw/zinc/50/45/60/606504560.db2.gz UMDLSMKREDKWTR-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819908159 606513124 /nfs/dbraw/zinc/51/31/24/606513124.db2.gz WXHUEUDAHNFZOX-SFHVURJKSA-N -1 3 381.455 3.842 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819908159 606513127 /nfs/dbraw/zinc/51/31/27/606513127.db2.gz WXHUEUDAHNFZOX-SFHVURJKSA-N -1 3 381.455 3.842 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000823472191 606515140 /nfs/dbraw/zinc/51/51/40/606515140.db2.gz DANSJZQHMBITPC-CYBMUJFWSA-N -1 3 391.909 3.512 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000823472191 606515141 /nfs/dbraw/zinc/51/51/41/606515141.db2.gz DANSJZQHMBITPC-CYBMUJFWSA-N -1 3 391.909 3.512 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2C)c1 ZINC000822378831 606519801 /nfs/dbraw/zinc/51/98/01/606519801.db2.gz FRSWORKFJYPTJF-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2C)c1 ZINC000822378831 606519803 /nfs/dbraw/zinc/51/98/03/606519803.db2.gz FRSWORKFJYPTJF-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000821564058 606520442 /nfs/dbraw/zinc/52/04/42/606520442.db2.gz RNHIVKWLNXKGDE-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000821564058 606520443 /nfs/dbraw/zinc/52/04/43/606520443.db2.gz RNHIVKWLNXKGDE-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000822928498 606537688 /nfs/dbraw/zinc/53/76/88/606537688.db2.gz IQMGJLRBTRDJNR-QHSLDKKCSA-N -1 3 377.423 3.773 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000822928498 606537690 /nfs/dbraw/zinc/53/76/90/606537690.db2.gz IQMGJLRBTRDJNR-QHSLDKKCSA-N -1 3 377.423 3.773 20 0 GHADHM CCC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CC1 ZINC000820943960 606548867 /nfs/dbraw/zinc/54/88/67/606548867.db2.gz FEBAVHMTVHBGHA-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM CCC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CC1 ZINC000820943960 606548869 /nfs/dbraw/zinc/54/88/69/606548869.db2.gz FEBAVHMTVHBGHA-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cc(Cl)ccc1F ZINC000823421498 606557401 /nfs/dbraw/zinc/55/74/01/606557401.db2.gz AKTCGBNBYJVNFO-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cc(Cl)ccc1F ZINC000823421498 606557403 /nfs/dbraw/zinc/55/74/03/606557403.db2.gz AKTCGBNBYJVNFO-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000823092694 606565838 /nfs/dbraw/zinc/56/58/38/606565838.db2.gz ICUUYFFIYKTYGR-GOSISDBHSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000823092694 606565840 /nfs/dbraw/zinc/56/58/40/606565840.db2.gz ICUUYFFIYKTYGR-GOSISDBHSA-N -1 3 389.484 3.571 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820882382 606567258 /nfs/dbraw/zinc/56/72/58/606567258.db2.gz QHZXTFXSIXWNGU-NWDGAFQWSA-N -1 3 399.476 3.626 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820882382 606567260 /nfs/dbraw/zinc/56/72/60/606567260.db2.gz QHZXTFXSIXWNGU-NWDGAFQWSA-N -1 3 399.476 3.626 20 0 GHADHM CCN(Cc1ccccn1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821230903 606582351 /nfs/dbraw/zinc/58/23/51/606582351.db2.gz ULOFNPLIBVVXAX-UHFFFAOYSA-N -1 3 399.458 3.668 20 0 GHADHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1c2ccccc2-c2ccccc21 ZINC000821571700 606582825 /nfs/dbraw/zinc/58/28/25/606582825.db2.gz BDIYETWHFHXJJR-UHFFFAOYSA-N -1 3 381.439 3.638 20 0 GHADHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1c2ccccc2-c2ccccc21 ZINC000821571700 606582827 /nfs/dbraw/zinc/58/28/27/606582827.db2.gz BDIYETWHFHXJJR-UHFFFAOYSA-N -1 3 381.439 3.638 20 0 GHADHM CC(=O)CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000819782019 606594287 /nfs/dbraw/zinc/59/42/87/606594287.db2.gz HSZZFBZUHCVTRM-UHFFFAOYSA-N -1 3 388.374 3.569 20 0 GHADHM CC(=O)CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000819782019 606594288 /nfs/dbraw/zinc/59/42/88/606594288.db2.gz HSZZFBZUHCVTRM-UHFFFAOYSA-N -1 3 388.374 3.569 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cccc(Cl)c2o1 ZINC000821412055 606602332 /nfs/dbraw/zinc/60/23/32/606602332.db2.gz HBNMAXBBMCYGJR-UHFFFAOYSA-N -1 3 383.795 3.917 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(Cl)c2o1 ZINC000821412055 606602333 /nfs/dbraw/zinc/60/23/33/606602333.db2.gz HBNMAXBBMCYGJR-UHFFFAOYSA-N -1 3 383.795 3.917 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000819867931 606603167 /nfs/dbraw/zinc/60/31/67/606603167.db2.gz VLLGVJZQXRNJBC-ZDUSSCGKSA-N -1 3 375.407 3.579 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000819867931 606603168 /nfs/dbraw/zinc/60/31/68/606603168.db2.gz VLLGVJZQXRNJBC-ZDUSSCGKSA-N -1 3 375.407 3.579 20 0 GHADHM Cc1noc(C2CCC(Nc3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CC2)n1 ZINC000822528055 606610165 /nfs/dbraw/zinc/61/01/65/606610165.db2.gz QULJEFMQPQWFQV-UHFFFAOYSA-N -1 3 393.373 3.715 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(Cl)s1 ZINC000819858029 606625983 /nfs/dbraw/zinc/62/59/83/606625983.db2.gz YDRUDBDFHMUVMF-LLVKDONJSA-N -1 3 387.896 3.876 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(Cl)s1 ZINC000819858029 606625985 /nfs/dbraw/zinc/62/59/85/606625985.db2.gz YDRUDBDFHMUVMF-LLVKDONJSA-N -1 3 387.896 3.876 20 0 GHADHM C[C@H](Sc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820555360 606626403 /nfs/dbraw/zinc/62/64/03/606626403.db2.gz JVRMQXAENLZTJE-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820555360 606626405 /nfs/dbraw/zinc/62/64/05/606626405.db2.gz JVRMQXAENLZTJE-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N(C)C1CCCCC1 ZINC000820549812 606630264 /nfs/dbraw/zinc/63/02/64/606630264.db2.gz RWCSMCUCBDGKGP-LLVKDONJSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N(C)C1CCCCC1 ZINC000820549812 606630266 /nfs/dbraw/zinc/63/02/66/606630266.db2.gz RWCSMCUCBDGKGP-LLVKDONJSA-N -1 3 379.917 3.792 20 0 GHADHM Cc1cc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822128461 606633086 /nfs/dbraw/zinc/63/30/86/606633086.db2.gz CJQZIBIUIOUDRO-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1cc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822128461 606633087 /nfs/dbraw/zinc/63/30/87/606633087.db2.gz CJQZIBIUIOUDRO-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Fc1ccccc1-c1cnc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)o1 ZINC000822792168 606638057 /nfs/dbraw/zinc/63/80/57/606638057.db2.gz QAAHCFFIPGHUAA-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM Fc1ccccc1-c1cnc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)o1 ZINC000822792168 606638058 /nfs/dbraw/zinc/63/80/58/606638058.db2.gz QAAHCFFIPGHUAA-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM CCN(CC(=O)c1cc(C)n(CC)c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821171006 606646339 /nfs/dbraw/zinc/64/63/39/606646339.db2.gz ZORMOKAEPYIWRX-HNNXBMFYSA-N -1 3 380.496 3.571 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000820534647 606646754 /nfs/dbraw/zinc/64/67/54/606646754.db2.gz MLXGNVPEQCKNPB-LLVKDONJSA-N -1 3 397.822 3.512 20 0 GHADHM C[C@H](c1ccco1)N(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CC1 ZINC000820570886 606657386 /nfs/dbraw/zinc/65/73/86/606657386.db2.gz SRPYNYRKYHYYLQ-LLVKDONJSA-N -1 3 375.379 3.787 20 0 GHADHM C[C@H](c1ccco1)N(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CC1 ZINC000820570886 606657387 /nfs/dbraw/zinc/65/73/87/606657387.db2.gz SRPYNYRKYHYYLQ-LLVKDONJSA-N -1 3 375.379 3.787 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823350697 606660947 /nfs/dbraw/zinc/66/09/47/606660947.db2.gz XVCFPZFEOKINEU-KDOFPFPSSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823350697 606660948 /nfs/dbraw/zinc/66/09/48/606660948.db2.gz XVCFPZFEOKINEU-KDOFPFPSSA-N -1 3 376.420 3.675 20 0 GHADHM CC1CCN(c2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC000820727827 606662673 /nfs/dbraw/zinc/66/26/73/606662673.db2.gz PLEUSHNAKLHWKS-UHFFFAOYSA-N -1 3 398.417 3.634 20 0 GHADHM CC1CCN(c2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2)CC1 ZINC000820727827 606662674 /nfs/dbraw/zinc/66/26/74/606662674.db2.gz PLEUSHNAKLHWKS-UHFFFAOYSA-N -1 3 398.417 3.634 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3c(F)cccc3F)c2-c2nnn[n-]2)C1 ZINC000820728097 606664116 /nfs/dbraw/zinc/66/41/16/606664116.db2.gz SPAVPDPURUAARD-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3c(F)cccc3F)c2-c2nn[n-]n2)C1 ZINC000820728097 606664117 /nfs/dbraw/zinc/66/41/17/606664117.db2.gz SPAVPDPURUAARD-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM CC(C)[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820026946 606668295 /nfs/dbraw/zinc/66/82/95/606668295.db2.gz NHSKBPOVNIPVDL-INIZCTEOSA-N -1 3 391.809 3.925 20 0 GHADHM CC(C)[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820026946 606668296 /nfs/dbraw/zinc/66/82/96/606668296.db2.gz NHSKBPOVNIPVDL-INIZCTEOSA-N -1 3 391.809 3.925 20 0 GHADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820026947 606668420 /nfs/dbraw/zinc/66/84/20/606668420.db2.gz NHSKBPOVNIPVDL-MRXNPFEDSA-N -1 3 391.809 3.925 20 0 GHADHM CC(C)[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820026947 606668421 /nfs/dbraw/zinc/66/84/21/606668421.db2.gz NHSKBPOVNIPVDL-MRXNPFEDSA-N -1 3 391.809 3.925 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820563733 606669351 /nfs/dbraw/zinc/66/93/51/606669351.db2.gz URANLWWMPUPHBE-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820563733 606669352 /nfs/dbraw/zinc/66/93/52/606669352.db2.gz URANLWWMPUPHBE-SECBINFHSA-N -1 3 377.782 3.632 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000820386128 606672517 /nfs/dbraw/zinc/67/25/17/606672517.db2.gz WADGILLELUXOLU-MRVPVSSYSA-N -1 3 397.307 3.655 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000820386128 606672518 /nfs/dbraw/zinc/67/25/18/606672518.db2.gz WADGILLELUXOLU-MRVPVSSYSA-N -1 3 397.307 3.655 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCCC[C@@H]1c1ccccc1 ZINC000823454034 606673045 /nfs/dbraw/zinc/67/30/45/606673045.db2.gz JIYDOBGBEKBAMF-QGZVFWFLSA-N -1 3 383.402 3.902 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCC[C@@H]1c1ccccc1 ZINC000823454034 606673046 /nfs/dbraw/zinc/67/30/46/606673046.db2.gz JIYDOBGBEKBAMF-QGZVFWFLSA-N -1 3 383.402 3.902 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000822940897 606673906 /nfs/dbraw/zinc/67/39/06/606673906.db2.gz IZYPGZFTSJUMNH-CYBMUJFWSA-N -1 3 395.488 3.592 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000822940897 606673907 /nfs/dbraw/zinc/67/39/07/606673907.db2.gz IZYPGZFTSJUMNH-CYBMUJFWSA-N -1 3 395.488 3.592 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)s1 ZINC000821465171 606674361 /nfs/dbraw/zinc/67/43/61/606674361.db2.gz CUHPGNTZIFLNSY-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)s1 ZINC000821465171 606674362 /nfs/dbraw/zinc/67/43/62/606674362.db2.gz CUHPGNTZIFLNSY-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM O=C(Nc1ccccc1CC(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823373029 606683133 /nfs/dbraw/zinc/68/31/33/606683133.db2.gz OXMNCIQSGPBYRC-UHFFFAOYSA-N -1 3 383.280 3.502 20 0 GHADHM O=C(Nc1ccccc1CC(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823373029 606683134 /nfs/dbraw/zinc/68/31/34/606683134.db2.gz OXMNCIQSGPBYRC-UHFFFAOYSA-N -1 3 383.280 3.502 20 0 GHADHM Cc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1C(F)(F)F ZINC000822208120 606683614 /nfs/dbraw/zinc/68/36/14/606683614.db2.gz BTGLHHJIJVCLPY-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM Cc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1C(F)(F)F ZINC000822208120 606683615 /nfs/dbraw/zinc/68/36/15/606683615.db2.gz BTGLHHJIJVCLPY-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM CC[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC[C@H]1c1ccccc1 ZINC000820987688 606684347 /nfs/dbraw/zinc/68/43/47/606684347.db2.gz ATRDYEZZQSRNPJ-XJKSGUPXSA-N -1 3 397.429 3.801 20 0 GHADHM CC[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC[C@H]1c1ccccc1 ZINC000820987688 606684348 /nfs/dbraw/zinc/68/43/48/606684348.db2.gz ATRDYEZZQSRNPJ-XJKSGUPXSA-N -1 3 397.429 3.801 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820404360 606694644 /nfs/dbraw/zinc/69/46/44/606694644.db2.gz TXWNQVJKUMZLNB-CQSZACIVSA-N -1 3 393.520 3.515 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820404360 606694645 /nfs/dbraw/zinc/69/46/45/606694645.db2.gz TXWNQVJKUMZLNB-CQSZACIVSA-N -1 3 393.520 3.515 20 0 GHADHM Cc1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)sc1C ZINC000822444118 606694967 /nfs/dbraw/zinc/69/49/67/606694967.db2.gz BWFLAAKYJWTCTF-UHFFFAOYSA-N -1 3 383.449 3.975 20 0 GHADHM Cc1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)sc1C ZINC000822444118 606694968 /nfs/dbraw/zinc/69/49/68/606694968.db2.gz BWFLAAKYJWTCTF-UHFFFAOYSA-N -1 3 383.449 3.975 20 0 GHADHM CCCCOc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000821077678 606701348 /nfs/dbraw/zinc/70/13/48/606701348.db2.gz PVADFOQOUIQUMT-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM CCCCOc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000821077678 606701349 /nfs/dbraw/zinc/70/13/49/606701349.db2.gz PVADFOQOUIQUMT-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM Cc1c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cccc1C(F)(F)F ZINC000822068838 606739640 /nfs/dbraw/zinc/73/96/40/606739640.db2.gz VRWBVDAOEOIQHR-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822068838 606739642 /nfs/dbraw/zinc/73/96/42/606739642.db2.gz VRWBVDAOEOIQHR-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823397537 606750122 /nfs/dbraw/zinc/75/01/22/606750122.db2.gz XCFZXXLGEPKFJT-AWEZNQCLSA-N -1 3 376.750 3.643 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823397537 606750124 /nfs/dbraw/zinc/75/01/24/606750124.db2.gz XCFZXXLGEPKFJT-AWEZNQCLSA-N -1 3 376.750 3.643 20 0 GHADHM Fc1ccccc1C=C1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000822796114 606765178 /nfs/dbraw/zinc/76/51/78/606765178.db2.gz MEJXABAHFYGMGQ-UHFFFAOYSA-N -1 3 394.479 3.882 20 0 GHADHM Fc1ccccc1C=C1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000822796114 606765180 /nfs/dbraw/zinc/76/51/80/606765180.db2.gz MEJXABAHFYGMGQ-UHFFFAOYSA-N -1 3 394.479 3.882 20 0 GHADHM Clc1cccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)c1 ZINC000822581424 606783031 /nfs/dbraw/zinc/78/30/31/606783031.db2.gz IEJCWGGUYGATIL-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)c1 ZINC000822581424 606783034 /nfs/dbraw/zinc/78/30/34/606783034.db2.gz IEJCWGGUYGATIL-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCCOC(C)(C)C)n1 ZINC000822191004 606793621 /nfs/dbraw/zinc/79/36/21/606793621.db2.gz DSZPNBXEKMKMMM-UHFFFAOYSA-N -1 3 375.420 3.886 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000822135514 606796429 /nfs/dbraw/zinc/79/64/29/606796429.db2.gz CUWYXVIONCLFKM-HUUCEWRRSA-N -1 3 377.448 3.695 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000822135514 606796430 /nfs/dbraw/zinc/79/64/30/606796430.db2.gz CUWYXVIONCLFKM-HUUCEWRRSA-N -1 3 377.448 3.695 20 0 GHADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412198 606821683 /nfs/dbraw/zinc/82/16/83/606821683.db2.gz KVSVCKLDSFOKLX-RYUDHWBXSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412198 606821684 /nfs/dbraw/zinc/82/16/84/606821684.db2.gz KVSVCKLDSFOKLX-RYUDHWBXSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](SCCOc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000820549036 606827958 /nfs/dbraw/zinc/82/79/58/606827958.db2.gz JIDJIHHYGFCELK-CYBMUJFWSA-N -1 3 394.460 3.790 20 0 GHADHM C[C@@H](SCCOc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000820549036 606827960 /nfs/dbraw/zinc/82/79/60/606827960.db2.gz JIDJIHHYGFCELK-CYBMUJFWSA-N -1 3 394.460 3.790 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(F)=C1CCCC1 ZINC000823350242 606835281 /nfs/dbraw/zinc/83/52/81/606835281.db2.gz FTQJAXXTCHRPJA-UHFFFAOYSA-N -1 3 380.383 3.790 20 0 GHADHM Brc1ccc(OCc2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000819688343 606838459 /nfs/dbraw/zinc/83/84/59/606838459.db2.gz HBZJWXWXQWXRHI-UHFFFAOYSA-N -1 3 389.257 3.520 20 0 GHADHM Brc1ccc(OCc2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000819688343 606838461 /nfs/dbraw/zinc/83/84/61/606838461.db2.gz HBZJWXWXQWXRHI-UHFFFAOYSA-N -1 3 389.257 3.520 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3F)c2-c2nnn[n-]2)C1 ZINC000820735675 606842004 /nfs/dbraw/zinc/84/20/04/606842004.db2.gz USXRIIGXNKDGBA-ZETCQYMHSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3F)c2-c2nn[n-]n2)C1 ZINC000820735675 606842005 /nfs/dbraw/zinc/84/20/05/606842005.db2.gz USXRIIGXNKDGBA-ZETCQYMHSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000820550844 606850998 /nfs/dbraw/zinc/85/09/98/606850998.db2.gz ZZQZNDMXOLJZRS-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000820550844 606850999 /nfs/dbraw/zinc/85/09/99/606850999.db2.gz ZZQZNDMXOLJZRS-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000820550845 606851046 /nfs/dbraw/zinc/85/10/46/606851046.db2.gz ZZQZNDMXOLJZRS-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000820550845 606851047 /nfs/dbraw/zinc/85/10/47/606851047.db2.gz ZZQZNDMXOLJZRS-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822356080 606851782 /nfs/dbraw/zinc/85/17/82/606851782.db2.gz IPMVOIKQZCYXGT-UHFFFAOYSA-N -1 3 387.896 3.579 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822356080 606851783 /nfs/dbraw/zinc/85/17/83/606851783.db2.gz IPMVOIKQZCYXGT-UHFFFAOYSA-N -1 3 387.896 3.579 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823732706 606860731 /nfs/dbraw/zinc/86/07/31/606860731.db2.gz ONYFMCLHUDWPSR-MRXNPFEDSA-N -1 3 392.488 3.600 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823732706 606860733 /nfs/dbraw/zinc/86/07/33/606860733.db2.gz ONYFMCLHUDWPSR-MRXNPFEDSA-N -1 3 392.488 3.600 20 0 GHADHM CC1(C)CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820596084 606873803 /nfs/dbraw/zinc/87/38/03/606873803.db2.gz NNBYWDXKHGXFNS-QGZVFWFLSA-N -1 3 392.463 3.753 20 0 GHADHM CC1(C)CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820596084 606873805 /nfs/dbraw/zinc/87/38/05/606873805.db2.gz NNBYWDXKHGXFNS-QGZVFWFLSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@@H](S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1 ZINC000820937693 606874036 /nfs/dbraw/zinc/87/40/36/606874036.db2.gz CAJDFXZKAXQBQA-CABCVRRESA-N -1 3 385.518 3.918 20 0 GHADHM CC[C@@H](S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1 ZINC000820937693 606874038 /nfs/dbraw/zinc/87/40/38/606874038.db2.gz CAJDFXZKAXQBQA-CABCVRRESA-N -1 3 385.518 3.918 20 0 GHADHM O=C(OC[C@@H]1CC12CCOCC2)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823397293 606900058 /nfs/dbraw/zinc/90/00/58/606900058.db2.gz VANVWGHGFHRLEY-HNNXBMFYSA-N -1 3 390.443 3.507 20 0 GHADHM O=C(OC[C@@H]1CC12CCOCC2)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823397293 606900059 /nfs/dbraw/zinc/90/00/59/606900059.db2.gz VANVWGHGFHRLEY-HNNXBMFYSA-N -1 3 390.443 3.507 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cn1 ZINC000820155251 606922083 /nfs/dbraw/zinc/92/20/83/606922083.db2.gz MJGZJNGXUBYIHS-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cn1 ZINC000820155251 606922085 /nfs/dbraw/zinc/92/20/85/606922085.db2.gz MJGZJNGXUBYIHS-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CCOc1cc(Br)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821393780 606922930 /nfs/dbraw/zinc/92/29/30/606922930.db2.gz AMIAGCDDMHBEJU-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM CCOc1cc(Br)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821393780 606922931 /nfs/dbraw/zinc/92/29/31/606922931.db2.gz AMIAGCDDMHBEJU-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM Fc1cccc([C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCO2)c1 ZINC000822787056 606931762 /nfs/dbraw/zinc/93/17/62/606931762.db2.gz TYHWPAKNCKEUES-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc([C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCO2)c1 ZINC000822787056 606931763 /nfs/dbraw/zinc/93/17/63/606931763.db2.gz TYHWPAKNCKEUES-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1coc(-c2cc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2C)n1 ZINC000822403502 606938504 /nfs/dbraw/zinc/93/85/04/606938504.db2.gz PZVGJUYUBJHTAF-CSKARUKUSA-N -1 3 386.415 3.790 20 0 GHADHM Cc1coc(-c2cc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2C)n1 ZINC000822403502 606938505 /nfs/dbraw/zinc/93/85/05/606938505.db2.gz PZVGJUYUBJHTAF-CSKARUKUSA-N -1 3 386.415 3.790 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000822941552 606953529 /nfs/dbraw/zinc/95/35/29/606953529.db2.gz ZMMSFWNWJJJHHC-MRXNPFEDSA-N -1 3 395.488 3.586 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000822941552 606953531 /nfs/dbraw/zinc/95/35/31/606953531.db2.gz ZMMSFWNWJJJHHC-MRXNPFEDSA-N -1 3 395.488 3.586 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000822941551 606953648 /nfs/dbraw/zinc/95/36/48/606953648.db2.gz ZMMSFWNWJJJHHC-INIZCTEOSA-N -1 3 395.488 3.586 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000822941551 606953649 /nfs/dbraw/zinc/95/36/49/606953649.db2.gz ZMMSFWNWJJJHHC-INIZCTEOSA-N -1 3 395.488 3.586 20 0 GHADHM CC(C)N(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820112058 606966149 /nfs/dbraw/zinc/96/61/49/606966149.db2.gz HXUANPYDGIFKDQ-UHFFFAOYSA-N -1 3 389.381 3.870 20 0 GHADHM CC(C)N(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820112058 606966151 /nfs/dbraw/zinc/96/61/51/606966151.db2.gz HXUANPYDGIFKDQ-UHFFFAOYSA-N -1 3 389.381 3.870 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820533827 606974757 /nfs/dbraw/zinc/97/47/57/606974757.db2.gz GZQMXVZFUASKQX-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820533827 606974759 /nfs/dbraw/zinc/97/47/59/606974759.db2.gz GZQMXVZFUASKQX-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000820315180 606981497 /nfs/dbraw/zinc/98/14/97/606981497.db2.gz LXIIJVKHKSXJMP-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000820315180 606981499 /nfs/dbraw/zinc/98/14/99/606981499.db2.gz LXIIJVKHKSXJMP-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000821449747 606987266 /nfs/dbraw/zinc/98/72/66/606987266.db2.gz XEUGLSJILFFODC-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000821449747 606987267 /nfs/dbraw/zinc/98/72/67/606987267.db2.gz XEUGLSJILFFODC-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822958733 606997218 /nfs/dbraw/zinc/99/72/18/606997218.db2.gz DSPGNAODBJQHEA-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822958733 606997220 /nfs/dbraw/zinc/99/72/20/606997220.db2.gz DSPGNAODBJQHEA-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000822215358 607008510 /nfs/dbraw/zinc/00/85/10/607008510.db2.gz XLAGBZGXFIRVQB-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)o2)c(C)c1 ZINC000822215358 607008512 /nfs/dbraw/zinc/00/85/12/607008512.db2.gz XLAGBZGXFIRVQB-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555621 607011862 /nfs/dbraw/zinc/01/18/62/607011862.db2.gz OCVOEANCKTYMEQ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000820555621 607011863 /nfs/dbraw/zinc/01/18/63/607011863.db2.gz OCVOEANCKTYMEQ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccco1 ZINC000822205755 607024707 /nfs/dbraw/zinc/02/47/07/607024707.db2.gz HLVZPGNYGUXXBB-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccco1 ZINC000822205755 607024709 /nfs/dbraw/zinc/02/47/09/607024709.db2.gz HLVZPGNYGUXXBB-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Br)ccc1F ZINC000820427163 607058668 /nfs/dbraw/zinc/05/86/68/607058668.db2.gz PPIGRLIBZLJJQO-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Br)ccc1F ZINC000820427163 607058670 /nfs/dbraw/zinc/05/86/70/607058670.db2.gz PPIGRLIBZLJJQO-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1-c1ncco1 ZINC000822248903 607074811 /nfs/dbraw/zinc/07/48/11/607074811.db2.gz SQJUBEVUGZFSCF-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1-c1ncco1 ZINC000822248903 607074813 /nfs/dbraw/zinc/07/48/13/607074813.db2.gz SQJUBEVUGZFSCF-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000820481002 607082545 /nfs/dbraw/zinc/08/25/45/607082545.db2.gz RILHUIHKKBPKKN-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000820481002 607082546 /nfs/dbraw/zinc/08/25/46/607082546.db2.gz RILHUIHKKBPKKN-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820481727 607092079 /nfs/dbraw/zinc/09/20/79/607092079.db2.gz ZEMIIBDTMNECFH-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820481727 607092081 /nfs/dbraw/zinc/09/20/81/607092081.db2.gz ZEMIIBDTMNECFH-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000821693670 607094722 /nfs/dbraw/zinc/09/47/22/607094722.db2.gz IURUPSWKKCEBDM-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000821693670 607094723 /nfs/dbraw/zinc/09/47/23/607094723.db2.gz IURUPSWKKCEBDM-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)sc1Cl ZINC000821305071 607099824 /nfs/dbraw/zinc/09/98/24/607099824.db2.gz WEUSUGFPKLTEIN-UHFFFAOYSA-N -1 3 383.264 3.919 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000821305160 607102246 /nfs/dbraw/zinc/10/22/46/607102246.db2.gz ZSLQBVPASKVTBT-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM FCCOc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822736315 607111735 /nfs/dbraw/zinc/11/17/35/607111735.db2.gz DHEIBYVWHPOBNN-UHFFFAOYSA-N -1 3 392.847 3.677 20 0 GHADHM FCCOc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822736315 607111736 /nfs/dbraw/zinc/11/17/36/607111736.db2.gz DHEIBYVWHPOBNN-UHFFFAOYSA-N -1 3 392.847 3.677 20 0 GHADHM O=C([C@H]1CC12CCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822916753 607121159 /nfs/dbraw/zinc/12/11/59/607121159.db2.gz CCHGNVOWFJSEEY-LJQANCHMSA-N -1 3 391.450 3.725 20 0 GHADHM O=C([C@H]1CC12CCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822916753 607121161 /nfs/dbraw/zinc/12/11/61/607121161.db2.gz CCHGNVOWFJSEEY-LJQANCHMSA-N -1 3 391.450 3.725 20 0 GHADHM O=C(NC1CC=CC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823144355 607133399 /nfs/dbraw/zinc/13/33/99/607133399.db2.gz FNRCXMJSTRERQH-UHFFFAOYSA-N -1 3 381.823 3.761 20 0 GHADHM O=C(NC1CC=CC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823144355 607133400 /nfs/dbraw/zinc/13/34/00/607133400.db2.gz FNRCXMJSTRERQH-UHFFFAOYSA-N -1 3 381.823 3.761 20 0 GHADHM FC(F)(F)c1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822728777 607164750 /nfs/dbraw/zinc/16/47/50/607164750.db2.gz MPTMKHDWTYJZSK-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822728777 607164751 /nfs/dbraw/zinc/16/47/51/607164751.db2.gz MPTMKHDWTYJZSK-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822729248 607164796 /nfs/dbraw/zinc/16/47/96/607164796.db2.gz XQXXYHMHWVTTSV-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822729248 607164797 /nfs/dbraw/zinc/16/47/97/607164797.db2.gz XQXXYHMHWVTTSV-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM CC(C)c1nnc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000820206446 607172567 /nfs/dbraw/zinc/17/25/67/607172567.db2.gz KZSKLRJRZPBKLN-UHFFFAOYSA-N -1 3 378.392 3.744 20 0 GHADHM CC(C)c1nnc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000820206446 607172568 /nfs/dbraw/zinc/17/25/68/607172568.db2.gz KZSKLRJRZPBKLN-UHFFFAOYSA-N -1 3 378.392 3.744 20 0 GHADHM Fc1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(-c2nnn[n-]2)c1 ZINC000822778028 607174788 /nfs/dbraw/zinc/17/47/88/607174788.db2.gz ATUBERZEPISVQG-GFCCVEGCSA-N -1 3 384.484 3.725 20 0 GHADHM Fc1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(-c2nn[n-]n2)c1 ZINC000822778028 607174789 /nfs/dbraw/zinc/17/47/89/607174789.db2.gz ATUBERZEPISVQG-GFCCVEGCSA-N -1 3 384.484 3.725 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823313548 607190368 /nfs/dbraw/zinc/19/03/68/607190368.db2.gz DZDJKOAUMOULHO-FOIQADDNSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823313548 607190369 /nfs/dbraw/zinc/19/03/69/607190369.db2.gz DZDJKOAUMOULHO-FOIQADDNSA-N -1 3 379.851 3.753 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cc2)n1 ZINC000822197691 607191848 /nfs/dbraw/zinc/19/18/48/607191848.db2.gz LGHPQROVAYLLTM-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc2)n1 ZINC000822197691 607191849 /nfs/dbraw/zinc/19/18/49/607191849.db2.gz LGHPQROVAYLLTM-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821427486 607195913 /nfs/dbraw/zinc/19/59/13/607195913.db2.gz UCJNYQIORFLHPC-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821427486 607195914 /nfs/dbraw/zinc/19/59/14/607195914.db2.gz UCJNYQIORFLHPC-NSHDSACASA-N -1 3 386.843 3.802 20 0 GHADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821604836 607196730 /nfs/dbraw/zinc/19/67/30/607196730.db2.gz JDJMDERQJDRTNY-UHFFFAOYSA-N -1 3 391.262 3.880 20 0 GHADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821604836 607196731 /nfs/dbraw/zinc/19/67/31/607196731.db2.gz JDJMDERQJDRTNY-UHFFFAOYSA-N -1 3 391.262 3.880 20 0 GHADHM Cc1csc([C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)n1 ZINC000822408898 607197476 /nfs/dbraw/zinc/19/74/76/607197476.db2.gz IJGSWDFPXLOCLC-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1csc([C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)n1 ZINC000822408898 607197477 /nfs/dbraw/zinc/19/74/77/607197477.db2.gz IJGSWDFPXLOCLC-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000820743015 607200017 /nfs/dbraw/zinc/20/00/17/607200017.db2.gz PGBRZGCCWFDLFL-PXAZEXFGSA-N -1 3 398.854 3.514 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000820743015 607200018 /nfs/dbraw/zinc/20/00/18/607200018.db2.gz PGBRZGCCWFDLFL-PXAZEXFGSA-N -1 3 398.854 3.514 20 0 GHADHM O[C@H](CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000823690800 607227890 /nfs/dbraw/zinc/22/78/90/607227890.db2.gz UYIQHDRIWSGRNS-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000823690800 607227891 /nfs/dbraw/zinc/22/78/91/607227891.db2.gz UYIQHDRIWSGRNS-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822210474 607237431 /nfs/dbraw/zinc/23/74/31/607237431.db2.gz DETYJVDXXGCDDS-UHFFFAOYSA-N -1 3 395.463 3.758 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822210474 607237432 /nfs/dbraw/zinc/23/74/32/607237432.db2.gz DETYJVDXXGCDDS-UHFFFAOYSA-N -1 3 395.463 3.758 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c12 ZINC000822530467 607241448 /nfs/dbraw/zinc/24/14/48/607241448.db2.gz CJTCMIGWXSFUEN-UHFFFAOYSA-N -1 3 397.826 3.740 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c12 ZINC000822530467 607241449 /nfs/dbraw/zinc/24/14/49/607241449.db2.gz CJTCMIGWXSFUEN-UHFFFAOYSA-N -1 3 397.826 3.740 20 0 GHADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823060522 607241788 /nfs/dbraw/zinc/24/17/88/607241788.db2.gz GCADUCFAPPDENF-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823060522 607241789 /nfs/dbraw/zinc/24/17/89/607241789.db2.gz GCADUCFAPPDENF-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000819884176 607244033 /nfs/dbraw/zinc/24/40/33/607244033.db2.gz SRHIXBVQWNEBMM-SECBINFHSA-N -1 3 380.301 3.734 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000819884176 607244034 /nfs/dbraw/zinc/24/40/34/607244034.db2.gz SRHIXBVQWNEBMM-SECBINFHSA-N -1 3 380.301 3.734 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)ccc2c1 ZINC000821854824 607249570 /nfs/dbraw/zinc/24/95/70/607249570.db2.gz WSWGUHDOUJSUQX-LBPRGKRZSA-N -1 3 392.390 3.877 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)ccc2c1 ZINC000821854824 607249571 /nfs/dbraw/zinc/24/95/71/607249571.db2.gz WSWGUHDOUJSUQX-LBPRGKRZSA-N -1 3 392.390 3.877 20 0 GHADHM Cc1ncc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000826330440 607774048 /nfs/dbraw/zinc/77/40/48/607774048.db2.gz UQPQWLXTXUNOSF-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM CC[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825082092 607785450 /nfs/dbraw/zinc/78/54/50/607785450.db2.gz QERRTZITVFXWAU-CYBMUJFWSA-N -1 3 383.427 3.561 20 0 GHADHM CC[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825082092 607785451 /nfs/dbraw/zinc/78/54/51/607785451.db2.gz QERRTZITVFXWAU-CYBMUJFWSA-N -1 3 383.427 3.561 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812942 607787124 /nfs/dbraw/zinc/78/71/24/607787124.db2.gz YGCZDXCKLRUFKO-OLZOCXBDSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812942 607787125 /nfs/dbraw/zinc/78/71/25/607787125.db2.gz YGCZDXCKLRUFKO-OLZOCXBDSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccc1-c1nnn[n-]1 ZINC000825817514 607789831 /nfs/dbraw/zinc/78/98/31/607789831.db2.gz JZYLILHXJKCCPR-UHFFFAOYSA-N -1 3 398.879 3.725 20 0 GHADHM CN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccc1-c1nn[n-]n1 ZINC000825817514 607789832 /nfs/dbraw/zinc/78/98/32/607789832.db2.gz JZYLILHXJKCCPR-UHFFFAOYSA-N -1 3 398.879 3.725 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825811952 607790617 /nfs/dbraw/zinc/79/06/17/607790617.db2.gz DNVKIELKTQMBNS-AWEZNQCLSA-N -1 3 375.354 3.566 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825811952 607790618 /nfs/dbraw/zinc/79/06/18/607790618.db2.gz DNVKIELKTQMBNS-AWEZNQCLSA-N -1 3 375.354 3.566 20 0 GHADHM CCN(C(=O)[C@H](C)CSCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362557 607798564 /nfs/dbraw/zinc/79/85/64/607798564.db2.gz OOMBIHWHKHSFCM-OAHLLOKOSA-N -1 3 381.505 3.789 20 0 GHADHM CCN(C(=O)[C@H](C)CSCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362557 607798565 /nfs/dbraw/zinc/79/85/65/607798565.db2.gz OOMBIHWHKHSFCM-OAHLLOKOSA-N -1 3 381.505 3.789 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376414 607799257 /nfs/dbraw/zinc/79/92/57/607799257.db2.gz GPEBYEOUUYBEKK-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376414 607799258 /nfs/dbraw/zinc/79/92/58/607799258.db2.gz GPEBYEOUUYBEKK-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC(C(C)C)C2)cc1 ZINC000826254803 607808824 /nfs/dbraw/zinc/80/88/24/607808824.db2.gz AXZGKUCXOJEIRO-UHFFFAOYSA-N -1 3 377.448 3.695 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC(C(C)C)C2)cc1 ZINC000826254803 607808825 /nfs/dbraw/zinc/80/88/25/607808825.db2.gz AXZGKUCXOJEIRO-UHFFFAOYSA-N -1 3 377.448 3.695 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1cccc(Cl)c1 ZINC000825609303 607872419 /nfs/dbraw/zinc/87/24/19/607872419.db2.gz JKYSHTYSHWRWJE-AWEZNQCLSA-N -1 3 395.246 3.685 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1cccc(Cl)c1 ZINC000825609303 607872420 /nfs/dbraw/zinc/87/24/20/607872420.db2.gz JKYSHTYSHWRWJE-AWEZNQCLSA-N -1 3 395.246 3.685 20 0 GHADHM CCN(C(=O)Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376655 607877769 /nfs/dbraw/zinc/87/77/69/607877769.db2.gz KQKUQYSCQGTSSI-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376655 607877770 /nfs/dbraw/zinc/87/77/70/607877770.db2.gz KQKUQYSCQGTSSI-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377170 607879070 /nfs/dbraw/zinc/87/90/70/607879070.db2.gz VZTIHZFEYOAHCP-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377170 607879071 /nfs/dbraw/zinc/87/90/71/607879071.db2.gz VZTIHZFEYOAHCP-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CCSC2)cc1 ZINC000826255469 607918455 /nfs/dbraw/zinc/91/84/55/607918455.db2.gz YWYGQCWWORQDBK-MRXNPFEDSA-N -1 3 395.488 3.545 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CCSC2)cc1 ZINC000826255469 607918456 /nfs/dbraw/zinc/91/84/56/607918456.db2.gz YWYGQCWWORQDBK-MRXNPFEDSA-N -1 3 395.488 3.545 20 0 GHADHM CC1=C(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000824853270 607919814 /nfs/dbraw/zinc/91/98/14/607919814.db2.gz ZYVTXQDFELYCDH-UHFFFAOYSA-N -1 3 376.416 3.661 20 0 GHADHM CC1=C(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000824853270 607919815 /nfs/dbraw/zinc/91/98/15/607919815.db2.gz ZYVTXQDFELYCDH-UHFFFAOYSA-N -1 3 376.416 3.661 20 0 GHADHM O=C(c1ccc(OCc2ccccc2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473005 607945866 /nfs/dbraw/zinc/94/58/66/607945866.db2.gz GNQGYBXFTWECGP-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM O=C(c1ccc(OCc2ccccc2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473005 607945867 /nfs/dbraw/zinc/94/58/67/607945867.db2.gz GNQGYBXFTWECGP-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826273688 607982693 /nfs/dbraw/zinc/98/26/93/607982693.db2.gz PQMZHOBFLGOKJC-UHFFFAOYSA-N -1 3 376.420 3.711 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826273688 607982694 /nfs/dbraw/zinc/98/26/94/607982694.db2.gz PQMZHOBFLGOKJC-UHFFFAOYSA-N -1 3 376.420 3.711 20 0 GHADHM Cc1cc([C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262096 607996293 /nfs/dbraw/zinc/99/62/93/607996293.db2.gz DSQDGOMCVQUPDP-IBGZPJMESA-N -1 3 394.454 3.607 20 0 GHADHM Cc1cc([C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262096 607996294 /nfs/dbraw/zinc/99/62/94/607996294.db2.gz DSQDGOMCVQUPDP-IBGZPJMESA-N -1 3 394.454 3.607 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2csc(-c3ccc(C)n3C)n2)s1 ZINC000825694626 608003927 /nfs/dbraw/zinc/00/39/27/608003927.db2.gz XBQCUOWBOWGGOY-UHFFFAOYSA-N -1 3 399.505 3.513 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2csc(-c3ccc(C)n3C)n2)s1 ZINC000825694626 608003928 /nfs/dbraw/zinc/00/39/28/608003928.db2.gz XBQCUOWBOWGGOY-UHFFFAOYSA-N -1 3 399.505 3.513 20 0 GHADHM Cc1cc([C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)ccc1F ZINC000826262129 608007867 /nfs/dbraw/zinc/00/78/67/608007867.db2.gz FJQBFYWCLWMDHJ-GOSISDBHSA-N -1 3 380.427 3.895 20 0 GHADHM Cc1cc([C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)ccc1F ZINC000826262129 608007868 /nfs/dbraw/zinc/00/78/68/608007868.db2.gz FJQBFYWCLWMDHJ-GOSISDBHSA-N -1 3 380.427 3.895 20 0 GHADHM Cc1cc([C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262099 608009321 /nfs/dbraw/zinc/00/93/21/608009321.db2.gz DTTVIRHMOZHDAT-BQYDLMEBSA-N -1 3 377.423 3.595 20 0 GHADHM Cc1cc([C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262099 608009322 /nfs/dbraw/zinc/00/93/22/608009322.db2.gz DTTVIRHMOZHDAT-BQYDLMEBSA-N -1 3 377.423 3.595 20 0 GHADHM Cc1cc2c(ncnc2Oc2ccc(Br)cc2-c2nnn[n-]2)s1 ZINC000826272853 608051417 /nfs/dbraw/zinc/05/14/17/608051417.db2.gz DVMBGBUSGIRQQI-UHFFFAOYSA-N -1 3 389.238 3.735 20 0 GHADHM Cc1cc2c(ncnc2Oc2ccc(Br)cc2-c2nn[n-]n2)s1 ZINC000826272853 608051418 /nfs/dbraw/zinc/05/14/18/608051418.db2.gz DVMBGBUSGIRQQI-UHFFFAOYSA-N -1 3 389.238 3.735 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1-c1nnn[n-]1 ZINC000825688374 608062668 /nfs/dbraw/zinc/06/26/68/608062668.db2.gz WUZIRBMYTJMKBC-AWEZNQCLSA-N -1 3 383.477 3.555 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1-c1nn[n-]n1 ZINC000825688374 608062669 /nfs/dbraw/zinc/06/26/69/608062669.db2.gz WUZIRBMYTJMKBC-AWEZNQCLSA-N -1 3 383.477 3.555 20 0 GHADHM CCC(CC)[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825095109 608065606 /nfs/dbraw/zinc/06/56/06/608065606.db2.gz DFWMCDPBHNCZCZ-CYBMUJFWSA-N -1 3 381.484 3.680 20 0 GHADHM Clc1cccc2c1CC[C@@H]2N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353369 608071032 /nfs/dbraw/zinc/07/10/32/608071032.db2.gz MNNRTUIFNOIEGR-OALUTQOASA-N -1 3 381.867 3.581 20 0 GHADHM CN(C(=O)CCCc1cc(F)ccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825817443 608071716 /nfs/dbraw/zinc/07/17/16/608071716.db2.gz JOJWTDWOXDJBMN-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CN(C(=O)CCCc1cc(F)ccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825817443 608071717 /nfs/dbraw/zinc/07/17/17/608071717.db2.gz JOJWTDWOXDJBMN-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1F ZINC000826236342 608074205 /nfs/dbraw/zinc/07/42/05/608074205.db2.gz HZBVIBDOBRNCNR-VIFPVBQESA-N -1 3 393.781 3.513 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1F ZINC000826236342 608074206 /nfs/dbraw/zinc/07/42/06/608074206.db2.gz HZBVIBDOBRNCNR-VIFPVBQESA-N -1 3 393.781 3.513 20 0 GHADHM Cc1conc1NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826320216 608074737 /nfs/dbraw/zinc/07/47/37/608074737.db2.gz JSJAQXNBFYCTHU-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1conc1NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826320216 608074738 /nfs/dbraw/zinc/07/47/38/608074738.db2.gz JSJAQXNBFYCTHU-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825114120 608084056 /nfs/dbraw/zinc/08/40/56/608084056.db2.gz JURIRGVBHWQPMH-PXNSSMCTSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825114120 608084057 /nfs/dbraw/zinc/08/40/57/608084057.db2.gz JURIRGVBHWQPMH-PXNSSMCTSA-N -1 3 397.523 3.763 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826455467 608119298 /nfs/dbraw/zinc/11/92/98/608119298.db2.gz PNOIPHNLCAJDAD-MRXNPFEDSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826455467 608119299 /nfs/dbraw/zinc/11/92/99/608119299.db2.gz PNOIPHNLCAJDAD-MRXNPFEDSA-N -1 3 390.447 3.923 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824864532 608119445 /nfs/dbraw/zinc/11/94/45/608119445.db2.gz BPXDQBISQAFXLF-UONOGXRCSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824864532 608119446 /nfs/dbraw/zinc/11/94/46/608119446.db2.gz BPXDQBISQAFXLF-UONOGXRCSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824866232 608119476 /nfs/dbraw/zinc/11/94/76/608119476.db2.gz LSJMZTIGMKTAHG-GUYCJALGSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824866232 608119477 /nfs/dbraw/zinc/11/94/77/608119477.db2.gz LSJMZTIGMKTAHG-GUYCJALGSA-N -1 3 391.431 3.603 20 0 GHADHM COc1ccccc1-c1cc(CN[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)on1 ZINC000826218215 608132530 /nfs/dbraw/zinc/13/25/30/608132530.db2.gz TYCHAHGCFQQARL-GFCCVEGCSA-N -1 3 394.410 3.520 20 0 GHADHM COc1ccccc1-c1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)on1 ZINC000826218215 608132531 /nfs/dbraw/zinc/13/25/31/608132531.db2.gz TYCHAHGCFQQARL-GFCCVEGCSA-N -1 3 394.410 3.520 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC(C)(C)C1 ZINC000824974595 608139542 /nfs/dbraw/zinc/13/95/42/608139542.db2.gz BSZFCMHMSFPJLS-CQSZACIVSA-N -1 3 392.463 3.562 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC(C)(C)C1 ZINC000824974595 608139543 /nfs/dbraw/zinc/13/95/43/608139543.db2.gz BSZFCMHMSFPJLS-CQSZACIVSA-N -1 3 392.463 3.562 20 0 GHADHM C[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824974666 608139603 /nfs/dbraw/zinc/13/96/03/608139603.db2.gz CWXKVDFXHKTEGS-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824974666 608139604 /nfs/dbraw/zinc/13/96/04/608139604.db2.gz CWXKVDFXHKTEGS-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1=O ZINC000824866486 608152597 /nfs/dbraw/zinc/15/25/97/608152597.db2.gz LWFRDMBDJXFMTQ-ZFWWWQNUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1=O ZINC000824866486 608152598 /nfs/dbraw/zinc/15/25/98/608152598.db2.gz LWFRDMBDJXFMTQ-ZFWWWQNUSA-N -1 3 391.431 3.603 20 0 GHADHM Clc1nsc(Nc2ccc3c(c2)nc2n3CCCCC2)c1-c1nnn[n-]1 ZINC000826354375 608171047 /nfs/dbraw/zinc/17/10/47/608171047.db2.gz AAXQNTAASSQJMI-UHFFFAOYSA-N -1 3 386.872 3.796 20 0 GHADHM Clc1nsc(Nc2ccc3c(c2)nc2n3CCCCC2)c1-c1nn[n-]n1 ZINC000826354375 608171050 /nfs/dbraw/zinc/17/10/50/608171050.db2.gz AAXQNTAASSQJMI-UHFFFAOYSA-N -1 3 386.872 3.796 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC12CCC2 ZINC000824948681 608207140 /nfs/dbraw/zinc/20/71/40/608207140.db2.gz UUAMYTRDWGBIRY-NSHDSACASA-N -1 3 394.401 3.930 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC12CCC2 ZINC000824948681 608207142 /nfs/dbraw/zinc/20/71/42/608207142.db2.gz UUAMYTRDWGBIRY-NSHDSACASA-N -1 3 394.401 3.930 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCC1CCCCC1 ZINC000824756487 608207149 /nfs/dbraw/zinc/20/71/49/608207149.db2.gz OGLDBCNXXCECHC-LLVKDONJSA-N -1 3 379.917 3.697 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCC1CCCCC1 ZINC000824756487 608207151 /nfs/dbraw/zinc/20/71/51/608207151.db2.gz OGLDBCNXXCECHC-LLVKDONJSA-N -1 3 379.917 3.697 20 0 GHADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)Cc1ccc(Cl)cc1 ZINC000824384966 608240411 /nfs/dbraw/zinc/24/04/11/608240411.db2.gz IUCQWZLBIDXOQY-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)Cc1ccc(Cl)cc1 ZINC000824384966 608240412 /nfs/dbraw/zinc/24/04/12/608240412.db2.gz IUCQWZLBIDXOQY-CYBMUJFWSA-N -1 3 381.867 3.678 20 0 GHADHM CCc1ccc(C2=CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000825704629 608246340 /nfs/dbraw/zinc/24/63/40/608246340.db2.gz KXLYURUDVXAOKL-UHFFFAOYSA-N -1 3 395.413 3.637 20 0 GHADHM CCc1ccc(C2=CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000825704629 608246341 /nfs/dbraw/zinc/24/63/41/608246341.db2.gz KXLYURUDVXAOKL-UHFFFAOYSA-N -1 3 395.413 3.637 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccc(C)cc2C)o1 ZINC000826173469 608264422 /nfs/dbraw/zinc/26/44/22/608264422.db2.gz FQCPVXHPCIGKSR-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccc(C)cc2C)o1 ZINC000826173469 608264423 /nfs/dbraw/zinc/26/44/23/608264423.db2.gz FQCPVXHPCIGKSR-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826400838 608265197 /nfs/dbraw/zinc/26/51/97/608265197.db2.gz JMVCRJLVPASYDU-SOFGYWHQSA-N -1 3 390.472 3.940 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826400838 608265198 /nfs/dbraw/zinc/26/51/98/608265198.db2.gz JMVCRJLVPASYDU-SOFGYWHQSA-N -1 3 390.472 3.940 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000826274142 608270493 /nfs/dbraw/zinc/27/04/93/608270493.db2.gz IBBGHHYNTRRJJG-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000826274142 608270494 /nfs/dbraw/zinc/27/04/94/608270494.db2.gz IBBGHHYNTRRJJG-ZDUSSCGKSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000826274919 608272426 /nfs/dbraw/zinc/27/24/26/608272426.db2.gz IYDAANLCMNKPNC-IUCAKERBSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000826274919 608272428 /nfs/dbraw/zinc/27/24/28/608272428.db2.gz IYDAANLCMNKPNC-IUCAKERBSA-N -1 3 394.323 3.892 20 0 GHADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C(C)C ZINC000824284131 608282833 /nfs/dbraw/zinc/28/28/33/608282833.db2.gz CAMWBIMDIWKXBZ-UHFFFAOYSA-N -1 3 386.435 3.626 20 0 GHADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C(C)C ZINC000824284131 608282834 /nfs/dbraw/zinc/28/28/34/608282834.db2.gz CAMWBIMDIWKXBZ-UHFFFAOYSA-N -1 3 386.435 3.626 20 0 GHADHM O=C(NCc1cccs1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826440867 608292056 /nfs/dbraw/zinc/29/20/56/608292056.db2.gz DLBAOXAOBLMVMZ-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM O=C(NCc1cccs1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826440867 608292058 /nfs/dbraw/zinc/29/20/58/608292058.db2.gz DLBAOXAOBLMVMZ-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM c1ccc(-c2ccc(CNc3nnc(C4CC4)s3)cc2)c(-c2nnn[n-]2)c1 ZINC000143454352 608293555 /nfs/dbraw/zinc/29/35/55/608293555.db2.gz RXPPJIFCDWZEKW-UHFFFAOYSA-N -1 3 375.461 3.875 20 0 GHADHM c1ccc(-c2ccc(CNc3nnc(C4CC4)s3)cc2)c(-c2nn[n-]n2)c1 ZINC000143454352 608293556 /nfs/dbraw/zinc/29/35/56/608293556.db2.gz RXPPJIFCDWZEKW-UHFFFAOYSA-N -1 3 375.461 3.875 20 0 GHADHM FC(F)c1nnc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826370121 608294542 /nfs/dbraw/zinc/29/45/42/608294542.db2.gz FDLXLCXDORQPGX-UHFFFAOYSA-N -1 3 385.403 3.935 20 0 GHADHM FC(F)c1nnc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826370121 608294543 /nfs/dbraw/zinc/29/45/43/608294543.db2.gz FDLXLCXDORQPGX-UHFFFAOYSA-N -1 3 385.403 3.935 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826226130 608296115 /nfs/dbraw/zinc/29/61/15/608296115.db2.gz SNMJRBIQEIGVJN-LBPRGKRZSA-N -1 3 384.465 3.524 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826368277 608298101 /nfs/dbraw/zinc/29/81/01/608298101.db2.gz JQTYECGBOJXYHR-STQMWFEESA-N -1 3 381.402 3.529 20 0 GHADHM CCN(C(=O)Cc1c(C)cc(C)cc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376251 608299017 /nfs/dbraw/zinc/29/90/17/608299017.db2.gz DVGSCNURWSRFSC-KRWDZBQOSA-N -1 3 377.492 3.944 20 0 GHADHM CCN(C(=O)Cc1c(C)cc(C)cc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376251 608299019 /nfs/dbraw/zinc/29/90/19/608299019.db2.gz DVGSCNURWSRFSC-KRWDZBQOSA-N -1 3 377.492 3.944 20 0 GHADHM CCc1c(C)sc(NC(=O)C(F)(F)c2ccccc2F)c1-c1nnn[n-]1 ZINC000825687386 608305202 /nfs/dbraw/zinc/30/52/02/608305202.db2.gz IMTGKWDCEJQDIO-UHFFFAOYSA-N -1 3 381.383 3.669 20 0 GHADHM CCc1c(C)sc(NC(=O)C(F)(F)c2ccccc2F)c1-c1nn[n-]n1 ZINC000825687386 608305203 /nfs/dbraw/zinc/30/52/03/608305203.db2.gz IMTGKWDCEJQDIO-UHFFFAOYSA-N -1 3 381.383 3.669 20 0 GHADHM Cc1c(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)cccc1-c1nnn[n-]1 ZINC000826242185 608308064 /nfs/dbraw/zinc/30/80/64/608308064.db2.gz DNFGURCRWUQZCI-UHFFFAOYSA-N -1 3 382.472 3.795 20 0 GHADHM Cc1c(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)cccc1-c1nn[n-]n1 ZINC000826242185 608308066 /nfs/dbraw/zinc/30/80/66/608308066.db2.gz DNFGURCRWUQZCI-UHFFFAOYSA-N -1 3 382.472 3.795 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC(F)(F)F)c(C)c1 ZINC000826170677 608320493 /nfs/dbraw/zinc/32/04/93/608320493.db2.gz KTTYSJNVFKYMOZ-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC(F)(F)F)c(C)c1 ZINC000826170677 608320495 /nfs/dbraw/zinc/32/04/95/608320495.db2.gz KTTYSJNVFKYMOZ-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM CSc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)ccn1 ZINC000826230035 608326002 /nfs/dbraw/zinc/32/60/02/608326002.db2.gz BIJURAYKKSKAFA-UHFFFAOYSA-N -1 3 388.456 3.903 20 0 GHADHM CSc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)ccn1 ZINC000826230035 608326004 /nfs/dbraw/zinc/32/60/04/608326004.db2.gz BIJURAYKKSKAFA-UHFFFAOYSA-N -1 3 388.456 3.903 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825120793 608335799 /nfs/dbraw/zinc/33/57/99/608335799.db2.gz NNKOGWFYVUYMBC-GOSISDBHSA-N -1 3 396.520 3.824 20 0 GHADHM CCN(C(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385691 608345264 /nfs/dbraw/zinc/34/52/64/608345264.db2.gz QXIDFAHTAMSPHJ-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385691 608345265 /nfs/dbraw/zinc/34/52/65/608345265.db2.gz QXIDFAHTAMSPHJ-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CC(C)CN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824249153 608356128 /nfs/dbraw/zinc/35/61/28/608356128.db2.gz ILOZJYJLHOJRBA-UHFFFAOYSA-N -1 3 390.491 3.864 20 0 GHADHM CC(C)CN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824249153 608356130 /nfs/dbraw/zinc/35/61/30/608356130.db2.gz ILOZJYJLHOJRBA-UHFFFAOYSA-N -1 3 390.491 3.864 20 0 GHADHM CCCN(CC1CC1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825307688 608356667 /nfs/dbraw/zinc/35/66/67/608356667.db2.gz LXIPTCJHYGKTJL-UHFFFAOYSA-N -1 3 390.491 3.865 20 0 GHADHM CCCN(CC1CC1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825307688 608356668 /nfs/dbraw/zinc/35/66/68/608356668.db2.gz LXIPTCJHYGKTJL-UHFFFAOYSA-N -1 3 390.491 3.865 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000826167655 608373779 /nfs/dbraw/zinc/37/37/79/608373779.db2.gz MGIIJRBIPAFJNV-CYBMUJFWSA-N -1 3 386.525 3.957 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccs1)CC(F)(F)F ZINC000826168475 608375833 /nfs/dbraw/zinc/37/58/33/608375833.db2.gz OEHQJQSUBUSBTL-UHFFFAOYSA-N -1 3 383.399 3.501 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccs1)CC(F)(F)F ZINC000826168475 608375836 /nfs/dbraw/zinc/37/58/36/608375836.db2.gz OEHQJQSUBUSBTL-UHFFFAOYSA-N -1 3 383.399 3.501 20 0 GHADHM Fc1c(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)cccc1-c1nnn[n-]1 ZINC000826371159 608404541 /nfs/dbraw/zinc/40/45/41/608404541.db2.gz VMEVQSPDZSWRCQ-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Fc1c(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)cccc1-c1nn[n-]n1 ZINC000826371159 608404544 /nfs/dbraw/zinc/40/45/44/608404544.db2.gz VMEVQSPDZSWRCQ-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Cc1cc(Br)cnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826256271 608441796 /nfs/dbraw/zinc/44/17/96/608441796.db2.gz AUKWRUIXTYUIFG-UHFFFAOYSA-N -1 3 397.280 3.626 20 0 GHADHM Cc1cc(Br)cnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826256271 608441797 /nfs/dbraw/zinc/44/17/97/608441797.db2.gz AUKWRUIXTYUIFG-UHFFFAOYSA-N -1 3 397.280 3.626 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cnc(-c2ccccc2F)s1 ZINC000826466548 608446106 /nfs/dbraw/zinc/44/61/06/608446106.db2.gz IHJNKCIJYDGOMP-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cnc(-c2ccccc2F)s1 ZINC000826466548 608446108 /nfs/dbraw/zinc/44/61/08/608446108.db2.gz IHJNKCIJYDGOMP-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Cc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cccc1-c1ccccn1 ZINC000826234706 608454607 /nfs/dbraw/zinc/45/46/07/608454607.db2.gz KASFXLVAFSUOJR-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cccc1-c1ccccn1 ZINC000826234706 608454609 /nfs/dbraw/zinc/45/46/09/608454609.db2.gz KASFXLVAFSUOJR-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000826422330 608457618 /nfs/dbraw/zinc/45/76/18/608457618.db2.gz VBOYVWSBEIWDKM-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000826422330 608457619 /nfs/dbraw/zinc/45/76/19/608457619.db2.gz VBOYVWSBEIWDKM-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826305431 608464407 /nfs/dbraw/zinc/46/44/07/608464407.db2.gz WLFMCEOARZUREJ-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826305431 608464409 /nfs/dbraw/zinc/46/44/09/608464409.db2.gz WLFMCEOARZUREJ-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM O=C(Nc1ccc(F)c(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826453968 608470019 /nfs/dbraw/zinc/47/00/19/608470019.db2.gz FURNHJIDGASHLM-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(F)c(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826453968 608470021 /nfs/dbraw/zinc/47/00/21/608470021.db2.gz FURNHJIDGASHLM-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM CCCOc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825341436 608477856 /nfs/dbraw/zinc/47/78/56/608477856.db2.gz DELUIMAZHJKAJB-UHFFFAOYSA-N -1 3 389.459 3.585 20 0 GHADHM CCCOc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825341436 608477858 /nfs/dbraw/zinc/47/78/58/608477858.db2.gz DELUIMAZHJKAJB-UHFFFAOYSA-N -1 3 389.459 3.585 20 0 GHADHM O=C(c1csc2c1CCCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474815 608480709 /nfs/dbraw/zinc/48/07/09/608480709.db2.gz GTTURFJFEFYVML-UHFFFAOYSA-N -1 3 391.500 3.737 20 0 GHADHM O=C(c1csc2c1CCCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474815 608480711 /nfs/dbraw/zinc/48/07/11/608480711.db2.gz GTTURFJFEFYVML-UHFFFAOYSA-N -1 3 391.500 3.737 20 0 GHADHM O=C(c1cc2occc2s1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826471220 608485432 /nfs/dbraw/zinc/48/54/32/608485432.db2.gz RJCRXEKHBAQTSW-UHFFFAOYSA-N -1 3 377.429 3.604 20 0 GHADHM O=C(c1cc2occc2s1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826471220 608485433 /nfs/dbraw/zinc/48/54/33/608485433.db2.gz RJCRXEKHBAQTSW-UHFFFAOYSA-N -1 3 377.429 3.604 20 0 GHADHM Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826295725 608491260 /nfs/dbraw/zinc/49/12/60/608491260.db2.gz VFXBSDMQNDBZID-ZIAGYGMSSA-N -1 3 375.436 3.637 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(F)cc1F ZINC000824614137 608527694 /nfs/dbraw/zinc/52/76/94/608527694.db2.gz YWKUTBJRXAXYSO-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1F ZINC000824614137 608527695 /nfs/dbraw/zinc/52/76/95/608527695.db2.gz YWKUTBJRXAXYSO-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM Clc1ccc(-c2cc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)on2)cc1 ZINC000826351387 608534370 /nfs/dbraw/zinc/53/43/70/608534370.db2.gz KPEJSWIWHZSMGN-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)c2n1 ZINC000826294984 608540137 /nfs/dbraw/zinc/54/01/37/608540137.db2.gz MDVSIEGLWIPRBB-UHFFFAOYSA-N -1 3 376.445 3.526 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)c2n1 ZINC000826294984 608540138 /nfs/dbraw/zinc/54/01/38/608540138.db2.gz MDVSIEGLWIPRBB-UHFFFAOYSA-N -1 3 376.445 3.526 20 0 GHADHM CC[C@H](CSC)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825126025 608547037 /nfs/dbraw/zinc/54/70/37/608547037.db2.gz GTVRXKYPPOYOOZ-CQSZACIVSA-N -1 3 399.545 3.889 20 0 GHADHM CC[C@H](CSC)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825126025 608547039 /nfs/dbraw/zinc/54/70/39/608547039.db2.gz GTVRXKYPPOYOOZ-CQSZACIVSA-N -1 3 399.545 3.889 20 0 GHADHM CCN(Cc1occc1Br)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443951 608550628 /nfs/dbraw/zinc/55/06/28/608550628.db2.gz HLIZDNGRHLCSKT-NSHDSACASA-N -1 3 376.258 3.805 20 0 GHADHM CCN(Cc1occc1Br)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443951 608550630 /nfs/dbraw/zinc/55/06/30/608550630.db2.gz HLIZDNGRHLCSKT-NSHDSACASA-N -1 3 376.258 3.805 20 0 GHADHM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451587 608574056 /nfs/dbraw/zinc/57/40/56/608574056.db2.gz NEKMGDSSZYHCCX-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451587 608574057 /nfs/dbraw/zinc/57/40/57/608574057.db2.gz NEKMGDSSZYHCCX-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM COc1ccc(CN[C@H](CCc2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826202187 608581381 /nfs/dbraw/zinc/58/13/81/608581381.db2.gz QVQJEGXJIGPUFK-QGZVFWFLSA-N -1 3 391.397 3.529 20 0 GHADHM COc1ccc(CN[C@H](CCc2ccccc2)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826202187 608581383 /nfs/dbraw/zinc/58/13/83/608581383.db2.gz QVQJEGXJIGPUFK-QGZVFWFLSA-N -1 3 391.397 3.529 20 0 GHADHM O=C(CCCc1ccc2ccccc2c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826406645 608589934 /nfs/dbraw/zinc/58/99/34/608589934.db2.gz GVUSIWFKWJXCDU-UHFFFAOYSA-N -1 3 389.434 3.798 20 0 GHADHM O=C(CCCc1ccc2ccccc2c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826406645 608589935 /nfs/dbraw/zinc/58/99/35/608589935.db2.gz GVUSIWFKWJXCDU-UHFFFAOYSA-N -1 3 389.434 3.798 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000826288842 608671877 /nfs/dbraw/zinc/67/18/77/608671877.db2.gz YWSRPRGZQHLJDT-UHFFFAOYSA-N -1 3 395.419 3.581 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000826288842 608671878 /nfs/dbraw/zinc/67/18/78/608671878.db2.gz YWSRPRGZQHLJDT-UHFFFAOYSA-N -1 3 395.419 3.581 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)c(C)c1 ZINC000826273791 608672466 /nfs/dbraw/zinc/67/24/66/608672466.db2.gz UNIYQYTWKGYOAS-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)c(C)c1 ZINC000826273791 608672468 /nfs/dbraw/zinc/67/24/68/608672468.db2.gz UNIYQYTWKGYOAS-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM O=C(NCCCc1cccs1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826437418 608823404 /nfs/dbraw/zinc/82/34/04/608823404.db2.gz KRBZRNIRBXDKNQ-UHFFFAOYSA-N -1 3 389.484 3.958 20 0 GHADHM O=C(NCCCc1cccs1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826437418 608823408 /nfs/dbraw/zinc/82/34/08/608823408.db2.gz KRBZRNIRBXDKNQ-UHFFFAOYSA-N -1 3 389.484 3.958 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000826408779 608826391 /nfs/dbraw/zinc/82/63/91/608826391.db2.gz UXNLIPWVYDGVLY-INIZCTEOSA-N -1 3 382.386 3.854 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000826408779 608826394 /nfs/dbraw/zinc/82/63/94/608826394.db2.gz UXNLIPWVYDGVLY-INIZCTEOSA-N -1 3 382.386 3.854 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826420378 609139988 /nfs/dbraw/zinc/13/99/88/609139988.db2.gz KCXPZXDHZLHVKM-IBWPDUFMSA-N -1 3 391.500 3.663 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826420378 609139989 /nfs/dbraw/zinc/13/99/89/609139989.db2.gz KCXPZXDHZLHVKM-IBWPDUFMSA-N -1 3 391.500 3.663 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826170194 609151078 /nfs/dbraw/zinc/15/10/78/609151078.db2.gz RGHZGIJWFVSEHF-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826170194 609151079 /nfs/dbraw/zinc/15/10/79/609151079.db2.gz RGHZGIJWFVSEHF-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM Fc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826374621 609152532 /nfs/dbraw/zinc/15/25/32/609152532.db2.gz GCNQMZRGWWLHMG-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826374621 609152534 /nfs/dbraw/zinc/15/25/34/609152534.db2.gz GCNQMZRGWWLHMG-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826234172 609166417 /nfs/dbraw/zinc/16/64/17/609166417.db2.gz KXHOYELHQWLFIC-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826234172 609166419 /nfs/dbraw/zinc/16/64/19/609166419.db2.gz KXHOYELHQWLFIC-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM CCOCCOCc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825599994 609175579 /nfs/dbraw/zinc/17/55/79/609175579.db2.gz VUKXFCJCROZDRX-NRFANRHFSA-N -1 3 393.491 3.909 20 0 GHADHM CCOCCOCc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825599994 609175581 /nfs/dbraw/zinc/17/55/81/609175581.db2.gz VUKXFCJCROZDRX-NRFANRHFSA-N -1 3 393.491 3.909 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662284 609236989 /nfs/dbraw/zinc/23/69/89/609236989.db2.gz HMUVEUHBRKQMQV-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662284 609236990 /nfs/dbraw/zinc/23/69/90/609236990.db2.gz HMUVEUHBRKQMQV-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1ccc(C)c([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000826284350 609242925 /nfs/dbraw/zinc/24/29/25/609242925.db2.gz QUMIQYCYNKKUKY-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc(C)c([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000826284350 609242927 /nfs/dbraw/zinc/24/29/27/609242927.db2.gz QUMIQYCYNKKUKY-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824648932 609254011 /nfs/dbraw/zinc/25/40/11/609254011.db2.gz JOLDWPBQVROVRR-VIFPVBQESA-N -1 3 375.791 3.604 20 0 GHADHM C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824648932 609254012 /nfs/dbraw/zinc/25/40/12/609254012.db2.gz JOLDWPBQVROVRR-VIFPVBQESA-N -1 3 375.791 3.604 20 0 GHADHM O=C1CCCN1c1ccc(F)c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826480394 609255687 /nfs/dbraw/zinc/25/56/87/609255687.db2.gz ACKIOHGMVMHQSG-GOSISDBHSA-N -1 3 392.438 3.622 20 0 GHADHM O=C1CCCN1c1ccc(F)c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826480394 609255688 /nfs/dbraw/zinc/25/56/88/609255688.db2.gz ACKIOHGMVMHQSG-GOSISDBHSA-N -1 3 392.438 3.622 20 0 GHADHM CC(C)(c1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1)c1ccccc1 ZINC000824178307 609265785 /nfs/dbraw/zinc/26/57/85/609265785.db2.gz PILINAHUMHSCQC-UHFFFAOYSA-N -1 3 383.506 3.718 20 0 GHADHM CC(C)(c1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1)c1ccccc1 ZINC000824178307 609265787 /nfs/dbraw/zinc/26/57/87/609265787.db2.gz PILINAHUMHSCQC-UHFFFAOYSA-N -1 3 383.506 3.718 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824991836 609276119 /nfs/dbraw/zinc/27/61/19/609276119.db2.gz HOHQUWSFGVKUBP-BZUAXINKSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824991836 609276120 /nfs/dbraw/zinc/27/61/20/609276120.db2.gz HOHQUWSFGVKUBP-BZUAXINKSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662691 609276174 /nfs/dbraw/zinc/27/61/74/609276174.db2.gz PMLWGWFDMXNNIW-YJBOKZPZSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662691 609276175 /nfs/dbraw/zinc/27/61/75/609276175.db2.gz PMLWGWFDMXNNIW-YJBOKZPZSA-N -1 3 379.464 3.988 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cccc1C(=O)N1CCCC1 ZINC000826242197 609277039 /nfs/dbraw/zinc/27/70/39/609277039.db2.gz DXQCJKLBAOFJII-AWEZNQCLSA-N -1 3 394.454 3.723 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cccc1C(=O)N1CCCC1 ZINC000826242197 609277040 /nfs/dbraw/zinc/27/70/40/609277040.db2.gz DXQCJKLBAOFJII-AWEZNQCLSA-N -1 3 394.454 3.723 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824649920 609277564 /nfs/dbraw/zinc/27/75/64/609277564.db2.gz OIIXZJLIINUDEH-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824649920 609277566 /nfs/dbraw/zinc/27/75/66/609277566.db2.gz OIIXZJLIINUDEH-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658560 609279189 /nfs/dbraw/zinc/27/91/89/609279189.db2.gz YLPCYVYLGKQYAN-CYBMUJFWSA-N -1 3 384.484 3.732 20 0 GHADHM C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658560 609279191 /nfs/dbraw/zinc/27/91/91/609279191.db2.gz YLPCYVYLGKQYAN-CYBMUJFWSA-N -1 3 384.484 3.732 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC)cc1Cl ZINC000826180700 609280097 /nfs/dbraw/zinc/28/00/97/609280097.db2.gz SVAJEGIDCACQBO-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC)cc1Cl ZINC000826180700 609280099 /nfs/dbraw/zinc/28/00/99/609280099.db2.gz SVAJEGIDCACQBO-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826441242 609301999 /nfs/dbraw/zinc/30/19/99/609301999.db2.gz VTJUJIQQROYNDL-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826441242 609302001 /nfs/dbraw/zinc/30/20/01/609302001.db2.gz VTJUJIQQROYNDL-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O[C@H](CSCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000826505451 609310078 /nfs/dbraw/zinc/31/00/78/609310078.db2.gz VYXPHSJSJJUFFV-OAHLLOKOSA-N -1 3 391.294 3.596 20 0 GHADHM O[C@H](CSCc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000826505451 609310080 /nfs/dbraw/zinc/31/00/80/609310080.db2.gz VYXPHSJSJJUFFV-OAHLLOKOSA-N -1 3 391.294 3.596 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825076111 609312914 /nfs/dbraw/zinc/31/29/14/609312914.db2.gz SVSXTEDCAVILRT-UKRRQHHQSA-N -1 3 381.484 3.566 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825076111 609312917 /nfs/dbraw/zinc/31/29/17/609312917.db2.gz SVSXTEDCAVILRT-UKRRQHHQSA-N -1 3 381.484 3.566 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000824936064 609315813 /nfs/dbraw/zinc/31/58/13/609315813.db2.gz DRFJMDUVJIDVSR-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000824936064 609315816 /nfs/dbraw/zinc/31/58/16/609315816.db2.gz DRFJMDUVJIDVSR-HNNXBMFYSA-N -1 3 377.448 3.921 20 0 GHADHM O=C(NCC1CCSCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435074 609319687 /nfs/dbraw/zinc/31/96/87/609319687.db2.gz GBGNJCMYOYJTMK-UHFFFAOYSA-N -1 3 395.488 3.532 20 0 GHADHM O=C(NCC1CCSCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826435074 609319690 /nfs/dbraw/zinc/31/96/90/609319690.db2.gz GBGNJCMYOYJTMK-UHFFFAOYSA-N -1 3 395.488 3.532 20 0 GHADHM COc1cc(C)ccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826178145 609325833 /nfs/dbraw/zinc/32/58/33/609325833.db2.gz LREOIQXPUXGPTG-UHFFFAOYSA-N -1 3 375.226 3.525 20 0 GHADHM COc1cc(C)ccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826178145 609325835 /nfs/dbraw/zinc/32/58/35/609325835.db2.gz LREOIQXPUXGPTG-UHFFFAOYSA-N -1 3 375.226 3.525 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2ccsc2)n1 ZINC000823820749 609326536 /nfs/dbraw/zinc/32/65/36/609326536.db2.gz KCLPBHKDESQNHM-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2ccsc2)n1 ZINC000823820749 609326538 /nfs/dbraw/zinc/32/65/38/609326538.db2.gz KCLPBHKDESQNHM-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM CCCC(=O)Nc1cccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825224975 609328248 /nfs/dbraw/zinc/32/82/48/609328248.db2.gz IPKYKQIAJVTLQE-CYBMUJFWSA-N -1 3 382.443 3.595 20 0 GHADHM C[C@H](NCc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613891 609331023 /nfs/dbraw/zinc/33/10/23/609331023.db2.gz XTESQQPGDQOITB-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613891 609331025 /nfs/dbraw/zinc/33/10/25/609331025.db2.gz XTESQQPGDQOITB-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429862 609333242 /nfs/dbraw/zinc/33/32/42/609333242.db2.gz OQGAUTKVARZUEA-UHFFFAOYSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429862 609333243 /nfs/dbraw/zinc/33/32/43/609333243.db2.gz OQGAUTKVARZUEA-UHFFFAOYSA-N -1 3 399.401 3.967 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825782849 609342718 /nfs/dbraw/zinc/34/27/18/609342718.db2.gz ROVPVNYHHSBPCU-QWHCGFSZSA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825782849 609342720 /nfs/dbraw/zinc/34/27/20/609342720.db2.gz ROVPVNYHHSBPCU-QWHCGFSZSA-N -1 3 379.443 3.787 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)c1ccsc1 ZINC000824051766 609345709 /nfs/dbraw/zinc/34/57/09/609345709.db2.gz DIJDRRKCPIVGQI-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)c1ccsc1 ZINC000824051766 609345711 /nfs/dbraw/zinc/34/57/11/609345711.db2.gz DIJDRRKCPIVGQI-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826162435 609346355 /nfs/dbraw/zinc/34/63/55/609346355.db2.gz BYVVLHLOCCWRQK-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826162435 609346357 /nfs/dbraw/zinc/34/63/57/609346357.db2.gz BYVVLHLOCCWRQK-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826181279 609346683 /nfs/dbraw/zinc/34/66/83/609346683.db2.gz SMPIKAWUCOWBRN-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(OC)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826181279 609346684 /nfs/dbraw/zinc/34/66/84/609346684.db2.gz SMPIKAWUCOWBRN-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824992591 609348882 /nfs/dbraw/zinc/34/88/82/609348882.db2.gz MZOOGULOHRSNLM-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824992591 609348884 /nfs/dbraw/zinc/34/88/84/609348884.db2.gz MZOOGULOHRSNLM-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663010 609348913 /nfs/dbraw/zinc/34/89/13/609348913.db2.gz ULRLTJSFDYCRTN-AWEZNQCLSA-N -1 3 394.454 3.805 20 0 GHADHM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663010 609348916 /nfs/dbraw/zinc/34/89/16/609348916.db2.gz ULRLTJSFDYCRTN-AWEZNQCLSA-N -1 3 394.454 3.805 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824655910 609349100 /nfs/dbraw/zinc/34/91/00/609349100.db2.gz GTMQACQZBHXSCR-CJMONDIMSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824655910 609349101 /nfs/dbraw/zinc/34/91/01/609349101.db2.gz GTMQACQZBHXSCR-CJMONDIMSA-N -1 3 397.454 3.861 20 0 GHADHM COCCC[C@H](C)C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826156166 609354045 /nfs/dbraw/zinc/35/40/45/609354045.db2.gz RUPOZAZHRWCRPH-HNNXBMFYSA-N -1 3 380.448 3.640 20 0 GHADHM COCCC[C@H](C)C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826156166 609354048 /nfs/dbraw/zinc/35/40/48/609354048.db2.gz RUPOZAZHRWCRPH-HNNXBMFYSA-N -1 3 380.448 3.640 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234986 609356546 /nfs/dbraw/zinc/35/65/46/609356546.db2.gz YBRHMEMTSRZILN-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234986 609356550 /nfs/dbraw/zinc/35/65/50/609356550.db2.gz YBRHMEMTSRZILN-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM CN(Cc1ccc(Cl)s1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825966151 609356630 /nfs/dbraw/zinc/35/66/30/609356630.db2.gz QGCJKBUPSMVFFC-UHFFFAOYSA-N -1 3 398.717 3.976 20 0 GHADHM CN(Cc1ccc(Cl)s1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825966151 609356632 /nfs/dbraw/zinc/35/66/32/609356632.db2.gz QGCJKBUPSMVFFC-UHFFFAOYSA-N -1 3 398.717 3.976 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)C1 ZINC000824917114 609367511 /nfs/dbraw/zinc/36/75/11/609367511.db2.gz MAWZRQQWGABSEG-PIGZYNQJSA-N -1 3 376.917 3.729 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)C1 ZINC000824917114 609367513 /nfs/dbraw/zinc/36/75/13/609367513.db2.gz MAWZRQQWGABSEG-PIGZYNQJSA-N -1 3 376.917 3.729 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826455521 609370349 /nfs/dbraw/zinc/37/03/49/609370349.db2.gz RVXPQMGHKUZKQM-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826455521 609370352 /nfs/dbraw/zinc/37/03/52/609370352.db2.gz RVXPQMGHKUZKQM-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824216214 609370756 /nfs/dbraw/zinc/37/07/56/609370756.db2.gz PEASKQAMJNUBPK-GXTWGEPZSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824216214 609370760 /nfs/dbraw/zinc/37/07/60/609370760.db2.gz PEASKQAMJNUBPK-GXTWGEPZSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cn1 ZINC000824280304 609379997 /nfs/dbraw/zinc/37/99/97/609379997.db2.gz JGYKCGHESAQFGW-UHFFFAOYSA-N -1 3 393.476 3.700 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cn1 ZINC000824280304 609379998 /nfs/dbraw/zinc/37/99/98/609379998.db2.gz JGYKCGHESAQFGW-UHFFFAOYSA-N -1 3 393.476 3.700 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825107265 609383081 /nfs/dbraw/zinc/38/30/81/609383081.db2.gz NTCXTQMMWWKNNT-BBRMVZONSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825107265 609383082 /nfs/dbraw/zinc/38/30/82/609383082.db2.gz NTCXTQMMWWKNNT-BBRMVZONSA-N -1 3 392.891 3.625 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826408419 609404764 /nfs/dbraw/zinc/40/47/64/609404764.db2.gz FHGPOUREWCJWCN-KRWDZBQOSA-N -1 3 393.466 3.735 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826408419 609404767 /nfs/dbraw/zinc/40/47/67/609404767.db2.gz FHGPOUREWCJWCN-KRWDZBQOSA-N -1 3 393.466 3.735 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000826368953 609410855 /nfs/dbraw/zinc/41/08/55/609410855.db2.gz HNPHPIJGNYEBSD-AWEZNQCLSA-N -1 3 395.410 3.521 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826371735 609446641 /nfs/dbraw/zinc/44/66/41/609446641.db2.gz RUUBWQQGVQSIOE-UHFFFAOYSA-N -1 3 388.397 3.886 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826371735 609446642 /nfs/dbraw/zinc/44/66/42/609446642.db2.gz RUUBWQQGVQSIOE-UHFFFAOYSA-N -1 3 388.397 3.886 20 0 GHADHM C[C@@H](NC(=O)OCC(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824506722 609454530 /nfs/dbraw/zinc/45/45/30/609454530.db2.gz PYQAGQHCGCIBFB-LLVKDONJSA-N -1 3 391.353 3.883 20 0 GHADHM C[C@@H](NC(=O)OCC(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824506722 609454533 /nfs/dbraw/zinc/45/45/33/609454533.db2.gz PYQAGQHCGCIBFB-LLVKDONJSA-N -1 3 391.353 3.883 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000826270235 609455304 /nfs/dbraw/zinc/45/53/04/609455304.db2.gz RJYUYRDUFJINMA-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000826270235 609455305 /nfs/dbraw/zinc/45/53/05/609455305.db2.gz RJYUYRDUFJINMA-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccc(F)cc2)n1 ZINC000826186727 609481250 /nfs/dbraw/zinc/48/12/50/609481250.db2.gz IJGJDPPGJZKYPQ-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000826272036 609488732 /nfs/dbraw/zinc/48/87/32/609488732.db2.gz RNZGIZUTFUDAEV-SWLSCSKDSA-N -1 3 378.436 3.737 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C12CCC(CC1)C2 ZINC000826271851 609488775 /nfs/dbraw/zinc/48/87/75/609488775.db2.gz KHKAIIVZMLCSJW-UHFFFAOYSA-N -1 3 390.447 3.881 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1Br ZINC000826420704 609489267 /nfs/dbraw/zinc/48/92/67/609489267.db2.gz YJDLOTFRGIDMEL-UHFFFAOYSA-N -1 3 389.278 3.533 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1Br ZINC000826420704 609489269 /nfs/dbraw/zinc/48/92/69/609489269.db2.gz YJDLOTFRGIDMEL-UHFFFAOYSA-N -1 3 389.278 3.533 20 0 GHADHM COC(=O)[C@H](Cc1ccc(F)cc1)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826104324 609490010 /nfs/dbraw/zinc/49/00/10/609490010.db2.gz UPSMMBUBHMPHSP-AWEZNQCLSA-N -1 3 392.843 3.536 20 0 GHADHM COC(=O)[C@H](Cc1ccc(F)cc1)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826104324 609490012 /nfs/dbraw/zinc/49/00/12/609490012.db2.gz UPSMMBUBHMPHSP-AWEZNQCLSA-N -1 3 392.843 3.536 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1-c1nnn[n-]1 ZINC000825552577 609490529 /nfs/dbraw/zinc/49/05/29/609490529.db2.gz AGIREHZGSNJFPN-SMDDNHRTSA-N -1 3 382.424 3.764 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1-c1nn[n-]n1 ZINC000825552577 609490531 /nfs/dbraw/zinc/49/05/31/609490531.db2.gz AGIREHZGSNJFPN-SMDDNHRTSA-N -1 3 382.424 3.764 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(OCc4ccc(-c5nnn[n-]5)cc4)c23)C1 ZINC000824970443 609499543 /nfs/dbraw/zinc/49/95/43/609499543.db2.gz XFONIHRFDLDABS-LLVKDONJSA-N -1 3 378.461 3.575 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(OCc4ccc(-c5nn[n-]n5)cc4)c23)C1 ZINC000824970443 609499546 /nfs/dbraw/zinc/49/95/46/609499546.db2.gz XFONIHRFDLDABS-LLVKDONJSA-N -1 3 378.461 3.575 20 0 GHADHM Cc1c(Cl)cnc(N(Cc2ccco2)Cc2ccc(O)cc2)c1-c1nnn[n-]1 ZINC000826236898 609582540 /nfs/dbraw/zinc/58/25/40/609582540.db2.gz GMLVOJZHUKUTCA-UHFFFAOYSA-N -1 3 396.838 3.729 20 0 GHADHM Cc1c(Cl)cnc(N(Cc2ccco2)Cc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC000826236898 609582543 /nfs/dbraw/zinc/58/25/43/609582543.db2.gz GMLVOJZHUKUTCA-UHFFFAOYSA-N -1 3 396.838 3.729 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825251872 609599339 /nfs/dbraw/zinc/59/93/39/609599339.db2.gz FFEGRUPDFCWEGI-HUUCEWRRSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825251872 609599342 /nfs/dbraw/zinc/59/93/42/609599342.db2.gz FFEGRUPDFCWEGI-HUUCEWRRSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825251871 609599638 /nfs/dbraw/zinc/59/96/38/609599638.db2.gz FFEGRUPDFCWEGI-GJZGRUSLSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825251871 609599640 /nfs/dbraw/zinc/59/96/40/609599640.db2.gz FFEGRUPDFCWEGI-GJZGRUSLSA-N -1 3 398.492 3.524 20 0 GHADHM Fc1cccc([C@H](NCc2cccc(-c3nnn[n-]3)c2F)C(F)(F)F)c1F ZINC000826376677 609608857 /nfs/dbraw/zinc/60/88/57/609608857.db2.gz NPZLPNOGCAERJA-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc([C@H](NCc2cccc(-c3nn[n-]n3)c2F)C(F)(F)F)c1F ZINC000826376677 609608858 /nfs/dbraw/zinc/60/88/58/609608858.db2.gz NPZLPNOGCAERJA-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826428367 609609683 /nfs/dbraw/zinc/60/96/83/609609683.db2.gz ACRNAGNTQATUDT-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826429088 609609795 /nfs/dbraw/zinc/60/97/95/609609795.db2.gz UFJUECPNTZYJPV-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826429088 609609797 /nfs/dbraw/zinc/60/97/97/609609797.db2.gz UFJUECPNTZYJPV-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001165052231 721993190 /nfs/dbraw/zinc/99/31/90/721993190.db2.gz VFSZWVWNYZWMMK-VIFPVBQESA-N -1 3 379.860 3.522 20 0 GHADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431765739 837394814 /nfs/dbraw/zinc/39/48/14/837394814.db2.gz NOKKQFGLQAVXPL-SNVBAGLBSA-N -1 3 391.244 3.611 20 0 GHADHM C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000636433018 837398423 /nfs/dbraw/zinc/39/84/23/837398423.db2.gz KUHWRNBQIVHASW-ZDUSSCGKSA-N -1 3 395.500 3.709 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[N-]OCCC(F)(F)F ZINC000162762258 837413894 /nfs/dbraw/zinc/41/38/94/837413894.db2.gz YHELXCXULFGPOM-UHFFFAOYSA-N -1 3 375.778 3.685 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCN(C)c4cc(F)ccc43)c[n-]c12 ZINC000376227600 837448819 /nfs/dbraw/zinc/44/88/19/837448819.db2.gz JRCSEEFVCIRPDM-UHFFFAOYSA-N -1 3 383.398 3.601 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3[N-]S(C)(=O)=O)o2)cc1 ZINC000024893469 837540198 /nfs/dbraw/zinc/54/01/98/837540198.db2.gz GLZPGMPEHYBDGP-UHFFFAOYSA-N -1 3 399.472 3.593 20 0 GHADHM O=S(=O)([N-]Cc1nccn1C(F)F)c1cc2cc(Cl)ccc2s1 ZINC000176947122 837677596 /nfs/dbraw/zinc/67/75/96/837677596.db2.gz IMSRNPKKXVRPNY-UHFFFAOYSA-N -1 3 377.825 3.625 20 0 GHADHM C[S@](=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000175279789 834541122 /nfs/dbraw/zinc/54/11/22/834541122.db2.gz COASCFJWARYQKD-MHZLTWQESA-N -1 3 381.453 3.852 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170810884 834638053 /nfs/dbraw/zinc/63/80/53/834638053.db2.gz FBBMQBBKEHAKRI-UYAOXDASSA-N -1 3 380.488 3.524 20 0 GHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)ccc12 ZINC000093909544 834709350 /nfs/dbraw/zinc/70/93/50/834709350.db2.gz UEYNKSJUQLMQQQ-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000583596265 834717551 /nfs/dbraw/zinc/71/75/51/834717551.db2.gz DGKMXFMRBQZOOU-ZDUSSCGKSA-N -1 3 389.411 3.551 20 0 GHADHM CCC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC1 ZINC000579805876 834831520 /nfs/dbraw/zinc/83/15/20/834831520.db2.gz RPYBDIMREWRORG-AWEZNQCLSA-N -1 3 377.282 3.989 20 0 GHADHM COc1nnc(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)[n-]1 ZINC000536105638 834887791 /nfs/dbraw/zinc/88/77/91/834887791.db2.gz DOWATFIDMCAQNU-UHFFFAOYSA-N -1 3 391.431 3.542 20 0 GHADHM COc1nc(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)n[n-]1 ZINC000536105638 834887807 /nfs/dbraw/zinc/88/78/07/834887807.db2.gz DOWATFIDMCAQNU-UHFFFAOYSA-N -1 3 391.431 3.542 20 0 GHADHM COc1n[n-]c(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)n1 ZINC000536105638 834887819 /nfs/dbraw/zinc/88/78/19/834887819.db2.gz DOWATFIDMCAQNU-UHFFFAOYSA-N -1 3 391.431 3.542 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000472299181 834919574 /nfs/dbraw/zinc/91/95/74/834919574.db2.gz KBXPAGZHZZZVGX-GUYCJALGSA-N -1 3 383.485 4.000 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(OC2CCC2)cc1 ZINC000511284229 834988725 /nfs/dbraw/zinc/98/87/25/834988725.db2.gz YBPWXFYPJSYXDK-UHFFFAOYSA-N -1 3 386.249 3.702 20 0 GHADHM CCSc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511309207 835166916 /nfs/dbraw/zinc/16/69/16/835166916.db2.gz XGAQWZHRBQISMW-UHFFFAOYSA-N -1 3 376.279 3.883 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNCc3c(F)cccc3Cl)c2)[n-]1 ZINC000583875863 835178576 /nfs/dbraw/zinc/17/85/76/835178576.db2.gz WQEACJRIQDHUTF-UHFFFAOYSA-N -1 3 388.830 3.731 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNCc3c(F)cccc3Cl)c2)n[n-]1 ZINC000583875863 835178580 /nfs/dbraw/zinc/17/85/80/835178580.db2.gz WQEACJRIQDHUTF-UHFFFAOYSA-N -1 3 388.830 3.731 20 0 GHADHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3c(F)cccc3Cl)c2)n1 ZINC000583875863 835178581 /nfs/dbraw/zinc/17/85/81/835178581.db2.gz WQEACJRIQDHUTF-UHFFFAOYSA-N -1 3 388.830 3.731 20 0 GHADHM Cc1cc(Br)cn2cc(CNCc3c(F)ccc([O-])c3F)nc12 ZINC000512501513 844036385 /nfs/dbraw/zinc/03/63/85/844036385.db2.gz KNGAWKMENWEIKR-UHFFFAOYSA-N -1 3 382.208 3.679 20 0 GHADHM O=C([N-]c1cc(F)c(Br)cc1F)c1cnc(-c2ncccn2)s1 ZINC000160981400 844040094 /nfs/dbraw/zinc/04/00/94/844040094.db2.gz LQGAICMJHUVIQT-UHFFFAOYSA-N -1 3 397.204 3.893 20 0 GHADHM O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655159594 835321305 /nfs/dbraw/zinc/32/13/05/835321305.db2.gz JMSZLXHYKLTKHQ-OAHLLOKOSA-N -1 3 394.328 3.713 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccccc1OC(F)(F)F ZINC000431625852 835331943 /nfs/dbraw/zinc/33/19/43/835331943.db2.gz QWPWHOWTMAGUNM-ZDUSSCGKSA-N -1 3 381.322 3.870 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000047214987 835397905 /nfs/dbraw/zinc/39/79/05/835397905.db2.gz RYSADPSPOGCSHW-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000500933114 844062935 /nfs/dbraw/zinc/06/29/35/844062935.db2.gz FVXSYEWRGJTQBA-CYBMUJFWSA-N -1 3 394.226 3.825 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ncccc1[O-] ZINC000471188029 835572274 /nfs/dbraw/zinc/57/22/74/835572274.db2.gz ULDALOQYZHKBBM-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM COc1ccc(CCC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000151621208 835663478 /nfs/dbraw/zinc/66/34/78/835663478.db2.gz VAVTZCMHOWUWIO-UHFFFAOYSA-N -1 3 382.229 3.551 20 0 GHADHM CCO[C@@H](C)c1nc(CC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000151628942 835666461 /nfs/dbraw/zinc/66/64/61/835666461.db2.gz DFRPEKTUQGDLOL-JTQLQIEISA-N -1 3 399.310 3.568 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151631773 835676853 /nfs/dbraw/zinc/67/68/53/835676853.db2.gz CDJSCANCYUBIKS-OAHLLOKOSA-N -1 3 382.229 3.768 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(F)c(Cl)c1 ZINC000429952494 844087166 /nfs/dbraw/zinc/08/71/66/844087166.db2.gz STDQBEMVPCFWGB-UHFFFAOYSA-N -1 3 397.635 3.633 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)nnn1-c1ccc(C)cc1 ZINC000512536973 844091352 /nfs/dbraw/zinc/09/13/52/844091352.db2.gz XQVANRKMSDZSEG-UHFFFAOYSA-N -1 3 386.459 3.565 20 0 GHADHM COc1cc(-c2nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)no2)cc(OC)c1[O-] ZINC000274944160 835848910 /nfs/dbraw/zinc/84/89/10/835848910.db2.gz CBBIGDRYAUSAKR-AWEZNQCLSA-N -1 3 393.440 3.681 20 0 GHADHM COc1cc(-c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)cc(OC)c1[O-] ZINC000274970727 835857006 /nfs/dbraw/zinc/85/70/06/835857006.db2.gz IEDDPYPLLATSKX-UHFFFAOYSA-N -1 3 383.404 3.721 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccco1 ZINC000109361238 835886833 /nfs/dbraw/zinc/88/68/33/835886833.db2.gz UPNLVHPJKHFRTB-AWEZNQCLSA-N -1 3 381.270 3.561 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)n2)cc1 ZINC000472410114 836057056 /nfs/dbraw/zinc/05/70/56/836057056.db2.gz XLZVGCWVYMTGDA-ZDUSSCGKSA-N -1 3 388.427 3.632 20 0 GHADHM O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1ncccc1[O-] ZINC000132863474 844124446 /nfs/dbraw/zinc/12/44/46/844124446.db2.gz CKTBGUIOIWQCLI-UHFFFAOYSA-N -1 3 399.476 3.875 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880084 836098711 /nfs/dbraw/zinc/09/87/11/836098711.db2.gz XSRJZKPKKPDHHF-QPJJXVBHSA-N -1 3 393.756 3.613 20 0 GHADHM O=C(c1cccc(C2CCCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000612381237 836144058 /nfs/dbraw/zinc/14/40/58/836144058.db2.gz ACKFSFXURVNUSR-UHFFFAOYSA-N -1 3 378.472 3.648 20 0 GHADHM CC1(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000473283103 844135294 /nfs/dbraw/zinc/13/52/94/844135294.db2.gz PBVKHRKQPUZSHD-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000109604809 836419698 /nfs/dbraw/zinc/41/96/98/836419698.db2.gz IFORRGWONBAUAF-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000174985473 836631372 /nfs/dbraw/zinc/63/13/72/836631372.db2.gz WUXNLOAUNURYEY-QGZVFWFLSA-N -1 3 381.350 3.633 20 0 GHADHM [O-]c1ccc(F)c(CNC[C@@H](O)COc2cccc(Cl)c2Cl)c1F ZINC000510184140 836664145 /nfs/dbraw/zinc/66/41/45/836664145.db2.gz IZKCSRMQSANOND-SECBINFHSA-N -1 3 378.202 3.507 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(N)nc(Cl)c3)nc(=O)c2c1C ZINC000728627251 836767233 /nfs/dbraw/zinc/76/72/33/836767233.db2.gz VGSJCVCXYAVVDK-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc2ccccc2c1 ZINC000175534814 836868567 /nfs/dbraw/zinc/86/85/67/836868567.db2.gz OTWWEXQQQFRKNN-KRWDZBQOSA-N -1 3 388.467 3.634 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000175631553 836911527 /nfs/dbraw/zinc/91/15/27/836911527.db2.gz VQLUWPGDSOANOJ-SSDOTTSWSA-N -1 3 397.266 3.532 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1 ZINC000685901932 836932077 /nfs/dbraw/zinc/93/20/77/836932077.db2.gz HTXMETVOVTVLNG-UHFFFAOYSA-N -1 3 391.880 3.781 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1nc(Cc2ccccc2)no1 ZINC000175706467 836967968 /nfs/dbraw/zinc/96/79/68/836967968.db2.gz UEFKSNSFGPKOIV-OAHLLOKOSA-N -1 3 393.468 3.853 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](CC(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000683405873 837004510 /nfs/dbraw/zinc/00/45/10/837004510.db2.gz HDQUMFKCHNRDIC-GFCCVEGCSA-N -1 3 380.370 3.964 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)NC(=O)NCc3ccc([O-])c(F)c3)n2)cc1F ZINC000472492573 837144028 /nfs/dbraw/zinc/14/40/28/837144028.db2.gz BZOWCSYMKLDXAV-LLVKDONJSA-N -1 3 388.374 3.589 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1N1CCCC1 ZINC000177765800 837159006 /nfs/dbraw/zinc/15/90/06/837159006.db2.gz MPIKABIBZUSRQZ-UHFFFAOYSA-N -1 3 399.516 3.626 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1Cl ZINC000685912808 837162791 /nfs/dbraw/zinc/16/27/91/837162791.db2.gz NBULNFXGCFXZEU-UHFFFAOYSA-N -1 3 396.093 3.682 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(-c2ccccc2)no1 ZINC000120995429 837245010 /nfs/dbraw/zinc/24/50/10/837245010.db2.gz FQVCRPIEFZXVJB-LLVKDONJSA-N -1 3 395.843 3.611 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@](C)(Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000414052099 837266310 /nfs/dbraw/zinc/26/63/10/837266310.db2.gz KPQSUACTQFXUMC-HSZRJFAPSA-N -1 3 375.472 3.616 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1coc(C2CCC2)n1 ZINC000683439566 837286541 /nfs/dbraw/zinc/28/65/41/837286541.db2.gz TVMAVNPHMJTVCV-UHFFFAOYSA-N -1 3 388.225 3.742 20 0 GHADHM CC(C)c1c[nH]c(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000893961291 844276217 /nfs/dbraw/zinc/27/62/17/844276217.db2.gz DWMHYZYQHOONRK-UHFFFAOYSA-N -1 3 376.888 3.743 20 0 GHADHM COC[C@H](COc1ccc2c([O-])coc2c1)c1ccc(Br)cc1 ZINC000664135454 844273705 /nfs/dbraw/zinc/27/37/05/844273705.db2.gz LUDIPASSFNFHAO-CYBMUJFWSA-N -1 3 377.234 3.833 20 0 GHADHM O=S(=O)([N-][C@H]1CC=CCC1)c1csc(-c2cccc(Br)c2)n1 ZINC000605593841 837977267 /nfs/dbraw/zinc/97/72/67/837977267.db2.gz ZSQNQIMHXICARM-ZDUSSCGKSA-N -1 3 399.335 3.960 20 0 GHADHM O=C(Nc1ccncc1[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000109891302 838175108 /nfs/dbraw/zinc/17/51/08/838175108.db2.gz FJBMIUUQXSDBNU-GFCCVEGCSA-N -1 3 394.258 3.585 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@H]1C(F)(F)F ZINC000655929601 838235370 /nfs/dbraw/zinc/23/53/70/838235370.db2.gz VPUYFAWMSHHRSI-IAGOWNOFSA-N -1 3 379.378 3.961 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@]4(C3)CCc3ccccc3O4)nc2)n1 ZINC000377990205 838257098 /nfs/dbraw/zinc/25/70/98/838257098.db2.gz OTQHGLBUEOCARV-HSZRJFAPSA-N -1 3 388.471 3.781 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CO)c3cccc(Cl)c3F)nc2)n1 ZINC000513069910 844312557 /nfs/dbraw/zinc/31/25/57/844312557.db2.gz PNRCJKTWPKITFO-HNNXBMFYSA-N -1 3 388.830 3.745 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC[C@H](C)C3)nc(=O)c2c1C ZINC000187969588 838290926 /nfs/dbraw/zinc/29/09/26/838290926.db2.gz RHWJFRVGIJMVJR-AAEUAGOBSA-N -1 3 377.510 3.653 20 0 GHADHM COc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)[n-]1 ZINC001137568024 838292455 /nfs/dbraw/zinc/29/24/55/838292455.db2.gz WWOMLDAXKVLNOH-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM COc1nc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)n[n-]1 ZINC001137568024 838292459 /nfs/dbraw/zinc/29/24/59/838292459.db2.gz WWOMLDAXKVLNOH-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM COc1n[n-]c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)n1 ZINC001137568024 838292464 /nfs/dbraw/zinc/29/24/64/838292464.db2.gz WWOMLDAXKVLNOH-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM COc1ccc(C(F)(F)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000160329484 838303017 /nfs/dbraw/zinc/30/30/17/838303017.db2.gz QUSFOHKKTMGROI-UHFFFAOYSA-N -1 3 386.192 3.572 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3c(F)cccc3N3CCCC3)no2)c1 ZINC000471467600 838319360 /nfs/dbraw/zinc/31/93/60/838319360.db2.gz NAEATDVNZSZBHB-UHFFFAOYSA-N -1 3 382.395 3.737 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ncccc1OCC(F)(F)F ZINC000182127285 838331837 /nfs/dbraw/zinc/33/18/37/838331837.db2.gz PKDKUMXIYWBXPW-UHFFFAOYSA-N -1 3 386.380 3.855 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)N2CCCC2)cc1 ZINC000659394983 838352560 /nfs/dbraw/zinc/35/25/60/838352560.db2.gz BLBMSKTZWNRJRK-AZUAARDMSA-N -1 3 389.540 3.568 20 0 GHADHM CC1CCN([C@H](CN=c2[n-]nc(C3CCOCC3)s2)c2cccs2)CC1 ZINC000549111643 838522404 /nfs/dbraw/zinc/52/24/04/838522404.db2.gz WGUVULIRLQZFGW-MRXNPFEDSA-N -1 3 392.594 3.801 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000179400630 838541898 /nfs/dbraw/zinc/54/18/98/838541898.db2.gz AMBDNDGYMWXGME-LBPRGKRZSA-N -1 3 397.406 3.913 20 0 GHADHM CCCCCC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240642 838660416 /nfs/dbraw/zinc/66/04/16/838660416.db2.gz PBZVUIUBFGIPDA-UHFFFAOYSA-N -1 3 390.505 3.693 20 0 GHADHM CN(C)c1nc(Cl)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)s1 ZINC001125412669 838688001 /nfs/dbraw/zinc/68/80/01/838688001.db2.gz MIGGBNNGZZHTFY-UHFFFAOYSA-N -1 3 383.264 3.553 20 0 GHADHM Cc1ccncc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182384800 838714063 /nfs/dbraw/zinc/71/40/63/838714063.db2.gz RUTWOUZSWGCEHK-IBGZPJMESA-N -1 3 375.428 3.596 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccccc1F ZINC000182895577 838850499 /nfs/dbraw/zinc/85/04/99/838850499.db2.gz QUSRGFQAHDZABF-OAQYLSRUSA-N -1 3 392.430 3.709 20 0 GHADHM CCCCCCOc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1OC ZINC000893213945 838934769 /nfs/dbraw/zinc/93/47/69/838934769.db2.gz FWPMNTKZBTYEFL-UHFFFAOYSA-N -1 3 385.464 3.743 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1OCC ZINC000893214132 838936479 /nfs/dbraw/zinc/93/64/79/838936479.db2.gz JIXBJJQYVHZIKU-UHFFFAOYSA-N -1 3 391.855 3.616 20 0 GHADHM Cc1cccc([C@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)c1C ZINC000431863793 838975341 /nfs/dbraw/zinc/97/53/41/838975341.db2.gz HJLCAQRLPTYDCC-MRXNPFEDSA-N -1 3 389.249 3.565 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000893219741 839005057 /nfs/dbraw/zinc/00/50/57/839005057.db2.gz ILTQWJFDJIUIQG-XJKSGUPXSA-N -1 3 377.282 3.807 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000313836218 839266663 /nfs/dbraw/zinc/26/66/63/839266663.db2.gz DAHPKSADFPUYCN-SNVBAGLBSA-N -1 3 392.702 3.995 20 0 GHADHM COc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)CCO2 ZINC001267765815 839282742 /nfs/dbraw/zinc/28/27/42/839282742.db2.gz RITKXNNCRSTARS-AWEZNQCLSA-N -1 3 382.794 3.784 20 0 GHADHM Cc1ncsc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000110415529 844422660 /nfs/dbraw/zinc/42/26/60/844422660.db2.gz HDQJJKVFKHEQTN-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM Cc1csc(-c2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCC3)cc2)n1 ZINC000656183951 839322229 /nfs/dbraw/zinc/32/22/29/839322229.db2.gz VEGBCZZKHHNNGG-UHFFFAOYSA-N -1 3 376.425 3.882 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000189353019 839341884 /nfs/dbraw/zinc/34/18/84/839341884.db2.gz GMSFUGJQBZIHSV-ZVDOUQERSA-N -1 3 392.499 3.524 20 0 GHADHM O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc([O-])ccc1Cl ZINC000431894860 839526265 /nfs/dbraw/zinc/52/62/65/839526265.db2.gz VKRDZJOKXUDTSC-SFHVURJKSA-N -1 3 395.286 3.502 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1cccc(F)c1 ZINC000462709495 839552316 /nfs/dbraw/zinc/55/23/16/839552316.db2.gz UISIXNCCJAFPLK-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CCCCNC(=O)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000055492007 839802936 /nfs/dbraw/zinc/80/29/36/839802936.db2.gz NLWCJXGWZDOSLV-UHFFFAOYSA-N -1 3 375.881 3.764 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc3ccc(=O)[nH]c32)[nH][n-]1 ZINC000580637185 839937372 /nfs/dbraw/zinc/93/73/72/839937372.db2.gz XEICTNWSFBMEBI-UHFFFAOYSA-N -1 3 394.818 3.667 20 0 GHADHM O=C(NCc1ccc(COCc2ccccc2)cc1)NCc1ncccc1[O-] ZINC000471606594 839969249 /nfs/dbraw/zinc/96/92/49/839969249.db2.gz OGRJDDMKGBZJSY-UHFFFAOYSA-N -1 3 377.444 3.503 20 0 GHADHM Cc1ccc2nc(CNC(=O)NN=c3[n-]c(Cl)c(Cl)cc3Cl)cn2c1 ZINC000057229271 840006828 /nfs/dbraw/zinc/00/68/28/840006828.db2.gz ZEXPEKVRNRTODZ-UHFFFAOYSA-N -1 3 399.669 3.824 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000053698488 840305617 /nfs/dbraw/zinc/30/56/17/840305617.db2.gz MAZGVBGXQFPIEE-UHFFFAOYSA-N -1 3 391.537 3.536 20 0 GHADHM COc1ccc(N[C@H]2CCCc3c(OC)cccc32)cc1[N-]S(C)(=O)=O ZINC000194952323 840379217 /nfs/dbraw/zinc/37/92/17/840379217.db2.gz YFUYNWRQNOSFEX-INIZCTEOSA-N -1 3 376.478 3.565 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3CCCOC3)cc2)cc1 ZINC000194966302 840381960 /nfs/dbraw/zinc/38/19/60/840381960.db2.gz QMCNQLHQXITDMH-INIZCTEOSA-N -1 3 388.489 3.551 20 0 GHADHM CC[C@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)CC(F)(F)F ZINC000417048304 840406565 /nfs/dbraw/zinc/40/65/65/840406565.db2.gz WJCYGGSRZAAQPO-VIFPVBQESA-N -1 3 393.207 3.619 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052509662 844537374 /nfs/dbraw/zinc/53/73/74/844537374.db2.gz PUTSDRHXDZEAKF-OXJNMPFZSA-N -1 3 396.487 3.661 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCO[C@H](c4ccc(F)c(F)c4)C3)cc(=O)oc12 ZINC000066850496 840457714 /nfs/dbraw/zinc/45/77/14/840457714.db2.gz KLNDFJSJEPXIRA-IBGZPJMESA-N -1 3 387.382 3.659 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1C ZINC000187075571 840584011 /nfs/dbraw/zinc/58/40/11/840584011.db2.gz RTPLSNMPAHKWOR-UHFFFAOYSA-N -1 3 384.501 3.793 20 0 GHADHM COc1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c([O-])c1 ZINC000109921017 840591456 /nfs/dbraw/zinc/59/14/56/840591456.db2.gz NSHOKXIFIUUDSG-UHFFFAOYSA-N -1 3 395.484 3.939 20 0 GHADHM CCOc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)cc(Cl)c1[O-] ZINC000581026416 840602166 /nfs/dbraw/zinc/60/21/66/840602166.db2.gz BYTZQMTYHCSUES-KRWDZBQOSA-N -1 3 395.286 3.771 20 0 GHADHM CC(C)(C)c1ccc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000155990145 840663071 /nfs/dbraw/zinc/66/30/71/840663071.db2.gz YICOJOBZNRASIF-UHFFFAOYSA-N -1 3 388.411 3.614 20 0 GHADHM Cc1nc(CCNCc2cc(Br)ccc2Cl)sc1C(=O)[O-] ZINC000277020791 844570134 /nfs/dbraw/zinc/57/01/34/844570134.db2.gz OHYHOKMEQWVJGV-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM CCN(Cc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1)C(=O)C(F)(F)F ZINC000124067825 840750331 /nfs/dbraw/zinc/75/03/31/840750331.db2.gz WVVNDRGTLBHZKP-UHFFFAOYSA-N -1 3 396.365 3.564 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(C)n([C@H](C)CC)n2)c(C(=O)OCC)[n-]1 ZINC000581167026 840815535 /nfs/dbraw/zinc/81/55/35/840815535.db2.gz BMNAMZIKORIZIB-GFCCVEGCSA-N -1 3 375.473 3.657 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H](CN3CCCC3)c3ccccc3)c12 ZINC000581192514 840837881 /nfs/dbraw/zinc/83/78/81/840837881.db2.gz DWYUOMKMRUJGJF-INIZCTEOSA-N -1 3 396.516 3.677 20 0 GHADHM O=C(CCOCc1ccccc1)Nc1cc(I)ccc1[O-] ZINC000610486457 840843412 /nfs/dbraw/zinc/84/34/12/840843412.db2.gz YFDPMYQQEGELOO-UHFFFAOYSA-N -1 3 397.212 3.542 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(I)ccc2[O-])C1 ZINC000610485542 840843845 /nfs/dbraw/zinc/84/38/45/840843845.db2.gz JXYPRNARCQUWHF-PWSUYJOCSA-N -1 3 389.233 3.531 20 0 GHADHM COc1ccc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000584780689 840845940 /nfs/dbraw/zinc/84/59/40/840845940.db2.gz GPEJKLDANZLUTO-MOPGFXCFSA-N -1 3 397.471 3.598 20 0 GHADHM COc1ccc(OCCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000511820334 840856936 /nfs/dbraw/zinc/85/69/36/840856936.db2.gz AKCGUFYPFHJVTF-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1nccc2ccccc21 ZINC000610485915 840858631 /nfs/dbraw/zinc/85/86/31/840858631.db2.gz HZYAVSMRJKBLDM-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM CSc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610485746 840860882 /nfs/dbraw/zinc/86/08/82/840860882.db2.gz CNXMXQBWKCSFER-UHFFFAOYSA-N -1 3 385.226 3.971 20 0 GHADHM COc1ccc(OCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000511821575 840864611 /nfs/dbraw/zinc/86/46/11/840864611.db2.gz LRFRJPQDTKBXEL-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1C ZINC000124561701 840992877 /nfs/dbraw/zinc/99/28/77/840992877.db2.gz DYSBHOSDUPAATB-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM O=C([O-])[C@@H](Cc1ccco1)NCc1cc(C(F)(F)F)ccc1Br ZINC000417575853 841032279 /nfs/dbraw/zinc/03/22/79/841032279.db2.gz TZXGFTCWRDWRNO-CYBMUJFWSA-N -1 3 392.171 3.846 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000026874810 841036940 /nfs/dbraw/zinc/03/69/40/841036940.db2.gz UOWIHWCADMJSPA-MWLCHTKSSA-N -1 3 396.734 3.968 20 0 GHADHM COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(Br)c1[O-] ZINC000417619564 841060124 /nfs/dbraw/zinc/06/01/24/841060124.db2.gz FJQHKFGMZTZYHD-DGCLKSJQSA-N -1 3 386.286 3.677 20 0 GHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(Br)cnc2Cl)n1 ZINC000068071628 841076623 /nfs/dbraw/zinc/07/66/23/841076623.db2.gz CXZDIYOOGTXLBI-UHFFFAOYSA-N -1 3 375.679 3.899 20 0 GHADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000417645382 841080413 /nfs/dbraw/zinc/08/04/13/841080413.db2.gz GUKBOGYVCMZCIP-MLGOLLRUSA-N -1 3 380.897 3.966 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429844622 844615475 /nfs/dbraw/zinc/61/54/75/844615475.db2.gz LOHABLSHMRJLMW-AAEUAGOBSA-N -1 3 396.734 3.584 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(I)ccc1Cl ZINC000162481668 841201776 /nfs/dbraw/zinc/20/17/76/841201776.db2.gz AOGWDRLTJFKSFZ-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(I)ccc1Cl ZINC000162481668 841201781 /nfs/dbraw/zinc/20/17/81/841201781.db2.gz AOGWDRLTJFKSFZ-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000471647220 841239622 /nfs/dbraw/zinc/23/96/22/841239622.db2.gz ZTGNKIVJRSPRRB-AWEZNQCLSA-N -1 3 384.457 3.617 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000467079649 841319359 /nfs/dbraw/zinc/31/93/59/841319359.db2.gz PHJLSSQOAKMOSE-AWEZNQCLSA-N -1 3 377.462 3.760 20 0 GHADHM CN(CCC1CC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430598857 841357016 /nfs/dbraw/zinc/35/70/16/841357016.db2.gz ULYSXIJDQYYGDV-UHFFFAOYSA-N -1 3 383.673 3.816 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Cl)c(F)c1 ZINC000656573881 841450909 /nfs/dbraw/zinc/45/09/09/841450909.db2.gz QNAWDJFIHYVTSL-CRAIPNDOSA-N -1 3 379.815 3.562 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000500148051 841514796 /nfs/dbraw/zinc/51/47/96/841514796.db2.gz ORVJUBSFXKGXAE-FVMDXXJSSA-N -1 3 395.228 3.615 20 0 GHADHM CCc1nn(C)c(OC)c1C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843569447 841550420 /nfs/dbraw/zinc/55/04/20/841550420.db2.gz SWBISOUJDWPHQC-UHFFFAOYSA-N -1 3 392.233 3.706 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc[nH]3)c2)cc1 ZINC000474865112 861215431 /nfs/dbraw/zinc/21/54/31/861215431.db2.gz VBVBPPNAOPAIMI-UHFFFAOYSA-N -1 3 397.500 3.705 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1)C1CCCC1 ZINC000656624800 841604980 /nfs/dbraw/zinc/60/49/80/841604980.db2.gz RFAVSOKWYJNCEF-GOSISDBHSA-N -1 3 376.478 3.821 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C)C1CCCCC1 ZINC000656626273 841607329 /nfs/dbraw/zinc/60/73/29/841607329.db2.gz NARZLINZYQUZAG-GOSISDBHSA-N -1 3 378.494 3.987 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)OCc3ccccc3)c2)n1 ZINC000049304637 841639456 /nfs/dbraw/zinc/63/94/56/841639456.db2.gz GCIFXKBLXFALDA-OAHLLOKOSA-N -1 3 377.444 3.543 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C1CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000651819052 841646751 /nfs/dbraw/zinc/64/67/51/841646751.db2.gz NZZWKTLKIOEFPX-HNNXBMFYSA-N -1 3 397.846 3.842 20 0 GHADHM CO[C@@](C)(C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1F ZINC000430615654 841743141 /nfs/dbraw/zinc/74/31/41/841743141.db2.gz CWOPYXYWLHQAJH-HXUWFJFHSA-N -1 3 380.379 3.857 20 0 GHADHM CO[C@@](C)(C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1F ZINC000430615654 841743145 /nfs/dbraw/zinc/74/31/45/841743145.db2.gz CWOPYXYWLHQAJH-HXUWFJFHSA-N -1 3 380.379 3.857 20 0 GHADHM Cc1nc2ccc(C(=O)Nc3cc(I)ccc3[O-])cc2o1 ZINC000619383793 841797023 /nfs/dbraw/zinc/79/70/23/841797023.db2.gz LGMUWPQMCYRSIZ-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM CC(C)Oc1cccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000051117806 841823089 /nfs/dbraw/zinc/82/30/89/841823089.db2.gz AOZXTBZFOXFBFK-IBGZPJMESA-N -1 3 383.444 3.527 20 0 GHADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000162644779 841823643 /nfs/dbraw/zinc/82/36/43/841823643.db2.gz XTSDMPMQECVTTJ-CHWSQXEVSA-N -1 3 382.423 3.660 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000509726052 841864121 /nfs/dbraw/zinc/86/41/21/841864121.db2.gz HHCHJBFLAAQICP-FZMZJTMJSA-N -1 3 377.334 3.818 20 0 GHADHM O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032541 842076327 /nfs/dbraw/zinc/07/63/27/842076327.db2.gz PXFGSOOASUCUKO-FQEVSTJZSA-N -1 3 394.471 3.957 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCOCC4)[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000581713742 842082167 /nfs/dbraw/zinc/08/21/67/842082167.db2.gz YFPWXCXHIXHPHY-FQEVSTJZSA-N -1 3 396.491 3.827 20 0 GHADHM CSC[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184226333 842170048 /nfs/dbraw/zinc/17/00/48/842170048.db2.gz VHJACOFIENIIOC-UYAOXDASSA-N -1 3 398.528 3.607 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c(C)c1C ZINC000604971552 842272589 /nfs/dbraw/zinc/27/25/89/842272589.db2.gz ZNASRAWOOWPMJB-SFHVURJKSA-N -1 3 391.489 3.671 20 0 GHADHM [O-]c1ccc(F)c(CNCc2ccc(N3CCc4ccccc4C3)nc2)c1F ZINC000512049830 842329274 /nfs/dbraw/zinc/32/92/74/842329274.db2.gz AAMIPPMHYAAUOQ-UHFFFAOYSA-N -1 3 381.426 3.918 20 0 GHADHM O=S(=O)(NCc1ncccc1[O-])c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000581877245 842361990 /nfs/dbraw/zinc/36/19/90/842361990.db2.gz UXUAUFXPKIJWMP-UHFFFAOYSA-N -1 3 390.848 3.711 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(Cl)cc1 ZINC000487368064 842390895 /nfs/dbraw/zinc/39/08/95/842390895.db2.gz NNRQFCNNHPMVBB-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1(CO)CCC1)c1cc(F)ccc1Cl ZINC000432273674 842470932 /nfs/dbraw/zinc/47/09/32/842470932.db2.gz CIRPKIIIKMOAAU-KRWDZBQOSA-N -1 3 383.872 3.661 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCOc1ccc(Br)cc1 ZINC000468938812 842488320 /nfs/dbraw/zinc/48/83/20/842488320.db2.gz KOTDOZCAQBZNLJ-UHFFFAOYSA-N -1 3 396.256 3.812 20 0 GHADHM C[C@@H]1CC2(CN1[C@@H](C(=O)[O-])c1ccc(Br)cc1F)CCOCC2 ZINC000652449955 842570903 /nfs/dbraw/zinc/57/09/03/842570903.db2.gz XIBSWVDRAMETHG-IAQYHMDHSA-N -1 3 386.261 3.605 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1ccc(Br)s1 ZINC000511958815 842574922 /nfs/dbraw/zinc/57/49/22/842574922.db2.gz CFXXQNBBVGCCHU-NSHDSACASA-N -1 3 376.272 3.616 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000432299240 842583222 /nfs/dbraw/zinc/58/32/22/842583222.db2.gz AEOJEYIRMUCXPG-CQSZACIVSA-N -1 3 391.386 3.849 20 0 GHADHM O=C([O-])CCN(Cc1ncc(-c2ccc(Br)cc2)o1)CC1CC1 ZINC000652467147 842589019 /nfs/dbraw/zinc/58/90/19/842589019.db2.gz MGFRAOJVPQKIQP-UHFFFAOYSA-N -1 3 379.254 3.791 20 0 GHADHM COc1ccc(-n2c(CN(CCC(=O)[O-])CC3CC3)nc3ccccc32)cc1 ZINC000652468975 842591845 /nfs/dbraw/zinc/59/18/45/842591845.db2.gz YKLPRMCFMIKFDZ-UHFFFAOYSA-N -1 3 379.460 3.721 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)[N-]C(=O)c1cccs1 ZINC000730877227 861325922 /nfs/dbraw/zinc/32/59/22/861325922.db2.gz QRABANCBSRBNHX-IRXDYDNUSA-N -1 3 379.437 3.505 20 0 GHADHM O=C([O-])[C@H]1c2ccccc2CCN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000652486137 842617359 /nfs/dbraw/zinc/61/73/59/842617359.db2.gz GYCNKOSIJMNZMG-LJQANCHMSA-N -1 3 387.863 3.728 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488129 842620583 /nfs/dbraw/zinc/62/05/83/842620583.db2.gz GLAUMEWWHZHONQ-LJQANCHMSA-N -1 3 397.515 3.789 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)NCc2ncccc2[O-])c(C(F)(F)F)c1 ZINC000471806427 842625911 /nfs/dbraw/zinc/62/59/11/842625911.db2.gz WTYMVEVPBCQZTM-UHFFFAOYSA-N -1 3 383.370 3.593 20 0 GHADHM O=c1[n-]c(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)nc2c3ccccc3oc21 ZINC000613964037 842745445 /nfs/dbraw/zinc/74/54/45/842745445.db2.gz INOMBXFUIWPMOQ-IYBDPMFKSA-N -1 3 386.455 3.650 20 0 GHADHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000007674673 842788419 /nfs/dbraw/zinc/78/84/19/842788419.db2.gz NPKAFMDAWZPFOU-UHFFFAOYSA-N -1 3 384.288 3.630 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(Cl)c1Cl ZINC000510506234 842866660 /nfs/dbraw/zinc/86/66/60/842866660.db2.gz OBXLQTKEYZXWKX-UHFFFAOYSA-N -1 3 378.199 3.623 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1c(F)ccc([O-])c1F ZINC000510522807 842895304 /nfs/dbraw/zinc/89/53/04/842895304.db2.gz JHFAMESWTRUXNV-AWEZNQCLSA-N -1 3 389.446 3.778 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)cc1F ZINC000471870767 843062951 /nfs/dbraw/zinc/06/29/51/843062951.db2.gz KGSSATJGZLQVGY-ZDUSSCGKSA-N -1 3 381.473 3.745 20 0 GHADHM COc1ccc2oc(C)c(C(=O)[N-]n3cnc4sc(C)c(C)c4c3=O)c2c1 ZINC000121582869 843225311 /nfs/dbraw/zinc/22/53/11/843225311.db2.gz SAUJKIOAQNEBMK-UHFFFAOYSA-N -1 3 383.429 3.522 20 0 GHADHM Cc1c([O-])ccc2c(CNc3cccc(CN4CCCCC4=O)c3)cc(=O)oc12 ZINC000051165078 843255932 /nfs/dbraw/zinc/25/59/32/843255932.db2.gz KGTUVGANGSJHFB-UHFFFAOYSA-N -1 3 392.455 3.932 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(C)ccc3C)n2)cc1 ZINC000471887711 843255949 /nfs/dbraw/zinc/25/59/49/843255949.db2.gz XBXNUQOKEYQTEI-OAHLLOKOSA-N -1 3 385.489 3.955 20 0 GHADHM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)ccn1 ZINC000010165140 843261314 /nfs/dbraw/zinc/26/13/14/843261314.db2.gz GQMUZZZGJRBKDF-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512265675 843267493 /nfs/dbraw/zinc/26/74/93/843267493.db2.gz IROJNHVYCVOEGY-UHFFFAOYSA-N -1 3 379.272 3.931 20 0 GHADHM Cc1ccsc1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000471896763 843313742 /nfs/dbraw/zinc/31/37/42/843313742.db2.gz PNZOUKJOAZPTKM-LLVKDONJSA-N -1 3 381.454 3.594 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)ccc1F ZINC000471897563 843325651 /nfs/dbraw/zinc/32/56/51/843325651.db2.gz HJEKMESGQNUQQA-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(F)ccc1I ZINC000535658276 843400060 /nfs/dbraw/zinc/40/00/60/843400060.db2.gz JGKJNLKZBASEEZ-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CCc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1 ZINC000128652783 843495407 /nfs/dbraw/zinc/49/54/07/843495407.db2.gz CLDYKKOFIQUQTM-UHFFFAOYSA-N -1 3 398.887 3.521 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc(Cl)c1F ZINC000276891538 843645721 /nfs/dbraw/zinc/64/57/21/843645721.db2.gz QRMRIWXESPJRQF-UHFFFAOYSA-N -1 3 395.818 3.620 20 0 GHADHM O=c1[n-]nc(SCc2csc(-c3ccccn3)n2)n1CCc1ccccc1 ZINC000011222193 843676719 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COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2c(C)noc2Cl)[nH][n-]1 ZINC000512843675 843866779 /nfs/dbraw/zinc/86/67/79/843866779.db2.gz DHKHFRAHWWLONY-UHFFFAOYSA-N -1 3 395.246 3.682 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429829920 843941203 /nfs/dbraw/zinc/94/12/03/843941203.db2.gz RCJNXOCUWWLFQI-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000067145459 845042816 /nfs/dbraw/zinc/04/28/16/845042816.db2.gz OWSOQWWQSIGDNX-RMKNXTFCSA-N -1 3 384.863 3.936 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3coc(-c4ccccc4)n3)c2)n1 ZINC000152188837 845075457 /nfs/dbraw/zinc/07/54/57/845075457.db2.gz IUKJYAYBMDQGOL-UHFFFAOYSA-N -1 3 386.411 3.907 20 0 GHADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000129325380 845156605 /nfs/dbraw/zinc/15/66/05/845156605.db2.gz GXDPOCJEPKFAMW-CQSZACIVSA-N -1 3 381.407 3.510 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[N-]C(=O)c1cccs1 ZINC000731268422 861545272 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C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000133625523 846775322 /nfs/dbraw/zinc/77/53/22/846775322.db2.gz UEKPINWEDZDSER-UONOGXRCSA-N -1 3 393.484 3.605 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)cc2)n1 ZINC000152378747 846827361 /nfs/dbraw/zinc/82/73/61/846827361.db2.gz LAVZJYOLQOVSDV-DOTOQJQBSA-N -1 3 381.382 3.766 20 0 GHADHM O=C(NCc1cccc(COc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503127995 846831727 /nfs/dbraw/zinc/83/17/27/846831727.db2.gz WMMHTAAEIKKJHB-UHFFFAOYSA-N -1 3 376.391 3.606 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000582369239 846974363 /nfs/dbraw/zinc/97/43/63/846974363.db2.gz GBGUTBQFGYXOBI-LBPRGKRZSA-N -1 3 394.258 3.660 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)nn1C(C)(C)C ZINC000051635129 846985874 /nfs/dbraw/zinc/98/58/74/846985874.db2.gz SZZDOACDEBDPRV-LLVKDONJSA-N -1 3 388.493 3.779 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 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ZINC000582594982 847710431 /nfs/dbraw/zinc/71/04/31/847710431.db2.gz FOMUNSGQCQDALO-AUUYWEPGSA-N -1 3 385.460 3.723 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000503572386 847807742 /nfs/dbraw/zinc/80/77/42/847807742.db2.gz OJUPZVMQQVGBGV-ZCPJJFRWSA-N -1 3 399.516 3.551 20 0 GHADHM Cc1nc2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)ccc2n1-c1ccccc1 ZINC000128056234 847961966 /nfs/dbraw/zinc/96/19/66/847961966.db2.gz DZBNVNIQFZORGO-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000157468136 861861121 /nfs/dbraw/zinc/86/11/21/861861121.db2.gz MVZYEAIHZNMXHY-QGZVFWFLSA-N -1 3 396.487 3.953 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc1 ZINC000728514444 848175579 /nfs/dbraw/zinc/17/55/79/848175579.db2.gz MKAXENZAWGMUQW-UHFFFAOYSA-N -1 3 398.484 3.650 20 0 GHADHM Cc1cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)nc(C(F)(F)F)n1 ZINC000187766843 848247373 /nfs/dbraw/zinc/24/73/73/848247373.db2.gz CVRVMZCYRBRWKL-UHFFFAOYSA-N -1 3 397.357 3.638 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cc4ccccc4)[nH]n3)c2)n1 ZINC000582791849 848385753 /nfs/dbraw/zinc/38/57/53/848385753.db2.gz HJEYYFQSSNSRMR-UHFFFAOYSA-N -1 3 399.454 3.978 20 0 GHADHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000548773022 848451938 /nfs/dbraw/zinc/45/19/38/848451938.db2.gz RLXUNGYIDRSUME-CQSZACIVSA-N -1 3 399.292 3.888 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)o1 ZINC000466540054 861919294 /nfs/dbraw/zinc/91/92/94/861919294.db2.gz DDJUBZRZNDCNBR-OAHLLOKOSA-N -1 3 388.514 3.796 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2n[n-]c3ccccc3c2=O)c2cccs2)CC1 ZINC000731863923 861937306 /nfs/dbraw/zinc/93/73/06/861937306.db2.gz KDGHMAWQCZPADL-KRWDZBQOSA-N -1 3 396.516 3.600 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ccc(Cl)o3)no2)cc1 ZINC000350911991 861937749 /nfs/dbraw/zinc/93/77/49/861937749.db2.gz TZGIBJVKTZFFLO-UHFFFAOYSA-N -1 3 397.840 3.712 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]4CCC[C@H]43)cs2)c1 ZINC000180074726 861938586 /nfs/dbraw/zinc/93/85/86/861938586.db2.gz NUGYSKHXMGECLW-RHSMWYFYSA-N -1 3 399.516 3.743 20 0 GHADHM O=C(NCc1ccc(Br)cc1Cl)c1nnc2ccccc2c1[O-] ZINC000731871290 861940185 /nfs/dbraw/zinc/94/01/85/861940185.db2.gz IYUSYHNVXDLQBO-UHFFFAOYSA-N -1 3 392.640 3.681 20 0 GHADHM O=c1nc(CN2CCC(C3CCOCC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000153673288 848889553 /nfs/dbraw/zinc/88/95/53/848889553.db2.gz CZRARQHMKUGRPO-UHFFFAOYSA-N -1 3 399.516 3.883 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc([O-])ccc1Cl ZINC000555841943 861974155 /nfs/dbraw/zinc/97/41/55/861974155.db2.gz USVGNTDDMRUPOJ-LBPRGKRZSA-N -1 3 395.684 3.817 20 0 GHADHM O=C(Nc1cccc(-n2c(=O)[nH]c(CC(F)(F)F)c2[O-])c1)C1CCCCC1 ZINC000278126994 849312447 /nfs/dbraw/zinc/31/24/47/849312447.db2.gz MGHKMDJKGWIFLK-CQSZACIVSA-N -1 3 383.370 3.583 20 0 GHADHM [O-]c1ccc(CNc2cc(-c3ccccc3)nc3ncnn32)cc1Br ZINC000155614509 849569181 /nfs/dbraw/zinc/56/91/81/849569181.db2.gz NIVRBQIBLSQGFH-UHFFFAOYSA-N -1 3 396.248 3.872 20 0 GHADHM COc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1OC ZINC000504467773 850082297 /nfs/dbraw/zinc/08/22/97/850082297.db2.gz PPUYVMXVKANXSD-UHFFFAOYSA-N -1 3 379.185 3.509 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000486821238 850143349 /nfs/dbraw/zinc/14/33/49/850143349.db2.gz LVPKEDIRRPBRFI-RXMQYKEDSA-N -1 3 390.330 3.619 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(C(=O)OC)[n-]3)n2)cc1 ZINC000426447641 850206422 /nfs/dbraw/zinc/20/64/22/850206422.db2.gz MBDXNVCCEIRLBC-GFCCVEGCSA-N -1 3 382.420 3.546 20 0 GHADHM CSc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908617208 850238705 /nfs/dbraw/zinc/23/87/05/850238705.db2.gz HJAUJHYAMUCZJN-OAQYLSRUSA-N -1 3 399.516 3.649 20 0 GHADHM C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CCC1 ZINC000908749349 850320858 /nfs/dbraw/zinc/32/08/58/850320858.db2.gz RPYRGUWFPZQYPS-RDJZCZTQSA-N -1 3 393.553 3.558 20 0 GHADHM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000908748863 850321323 /nfs/dbraw/zinc/32/13/23/850321323.db2.gz IZBTUWVISUTXOT-IAGOWNOFSA-N -1 3 395.569 3.662 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000487001481 850343207 /nfs/dbraw/zinc/34/32/07/850343207.db2.gz ULJMOGPYZCNCRJ-LBPRGKRZSA-N -1 3 375.416 3.597 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000518954074 850388227 /nfs/dbraw/zinc/38/82/27/850388227.db2.gz KJEJUEWWPSJUKM-UHFFFAOYSA-N -1 3 385.423 3.920 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(=O)[n-]1 ZINC000514858510 850394852 /nfs/dbraw/zinc/39/48/52/850394852.db2.gz GYIGMJCSFYJBQY-HNNXBMFYSA-N -1 3 396.516 3.748 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000908847905 850423654 /nfs/dbraw/zinc/42/36/54/850423654.db2.gz VUOLDISLMRTWJZ-GHTZIAJQSA-N -1 3 395.503 3.508 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)s1 ZINC000487139747 850484993 /nfs/dbraw/zinc/48/49/93/850484993.db2.gz WFKFBNDDLKRSGL-DGCLKSJQSA-N -1 3 396.372 3.549 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)cc1 ZINC000505018071 850526981 /nfs/dbraw/zinc/52/69/81/850526981.db2.gz FFWVRBYEYMWIJA-UHFFFAOYSA-N -1 3 375.425 3.538 20 0 GHADHM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(CN3CCCCC3)c2)c1OC ZINC000909045212 850549326 /nfs/dbraw/zinc/54/93/26/850549326.db2.gz NGCLVMSROFYTDW-UHFFFAOYSA-N -1 3 398.459 3.640 20 0 GHADHM CC[C@@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000424666269 850612558 /nfs/dbraw/zinc/61/25/58/850612558.db2.gz NAPKUIUOYORHHO-SFHVURJKSA-N -1 3 394.515 3.690 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2s1 ZINC000519168154 850714826 /nfs/dbraw/zinc/71/48/26/850714826.db2.gz LPORHPSYCFPXAS-UHFFFAOYSA-N -1 3 380.429 3.947 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1F)c1ccc(Cl)s1 ZINC000732228778 862160146 /nfs/dbraw/zinc/16/01/46/862160146.db2.gz ZAGHDUZTARUXEZ-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909748916 850772313 /nfs/dbraw/zinc/77/23/13/850772313.db2.gz JIFUHBHNMGSDNR-YLJYHZDGSA-N -1 3 398.478 3.540 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000732276649 862171159 /nfs/dbraw/zinc/17/11/59/862171159.db2.gz OIHZWLUDQLIFRM-DTORHVGOSA-N -1 3 393.287 3.538 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@](C)(O)c3ccc(F)cc3)nc(=O)c2c1C ZINC000909883015 850833877 /nfs/dbraw/zinc/83/38/77/850833877.db2.gz GIFHPTWUEADQPW-OVWNDWIMSA-N -1 3 390.436 3.665 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2csc(-c3ccccc3F)n2)nc(C2CC2)[n-]1 ZINC000519357747 850949522 /nfs/dbraw/zinc/94/95/22/850949522.db2.gz PSORJERFFPGKDH-AREMUKBSSA-N -1 3 389.477 3.771 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CCCC1 ZINC000522617496 862190055 /nfs/dbraw/zinc/19/00/55/862190055.db2.gz DBOLWMWAJRRRCV-UHFFFAOYSA-N -1 3 399.310 3.802 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000434326633 850992577 /nfs/dbraw/zinc/99/25/77/850992577.db2.gz UDVINNSYUOMSNA-OAHLLOKOSA-N -1 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ZINC000664420475 851146909 /nfs/dbraw/zinc/14/69/09/851146909.db2.gz BKQFBFFDPMSHNC-HSZRJFAPSA-N -1 3 390.487 3.983 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(F)cc1F ZINC000440395191 851154660 /nfs/dbraw/zinc/15/46/60/851154660.db2.gz BYCKWFYFZITKDI-AEFFLSMTSA-N -1 3 385.407 3.611 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1[O-] ZINC000163865226 851183158 /nfs/dbraw/zinc/18/31/58/851183158.db2.gz LWCBNJYAIPCVSS-AWEZNQCLSA-N -1 3 378.428 3.962 20 0 GHADHM CC[C@H](C)c1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000434516656 851210529 /nfs/dbraw/zinc/21/05/29/851210529.db2.gz ILOFDKVVGHAECC-JTQLQIEISA-N -1 3 379.258 3.780 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)c2ccccc21 ZINC000910475466 851223171 /nfs/dbraw/zinc/22/31/71/851223171.db2.gz BMWLNFFVPRALNS-RTWAWAEBSA-N -1 3 378.472 3.716 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(Cl)c3Cl)nc21 ZINC000515591007 851239063 /nfs/dbraw/zinc/23/90/63/851239063.db2.gz FOHXLPKRQUGBAN-UHFFFAOYSA-N -1 3 378.215 3.838 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)c3cccc1c23 ZINC000515621578 851259049 /nfs/dbraw/zinc/25/90/49/851259049.db2.gz RMVSCQJFGRDHKK-UHFFFAOYSA-N -1 3 376.796 3.999 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000436185154 851292026 /nfs/dbraw/zinc/29/20/26/851292026.db2.gz WAKOPMCHRQCGPC-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1c(F)cccc1F ZINC000048445578 851407969 /nfs/dbraw/zinc/40/79/69/851407969.db2.gz CWTDZVUBBGSEGU-SSDOTTSWSA-N -1 3 382.251 3.828 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc2cccnc21)c1ccc(Cl)s1 ZINC000111049893 851516560 /nfs/dbraw/zinc/51/65/60/851516560.db2.gz JTPROVWCEYMVEW-UHFFFAOYSA-N -1 3 382.894 3.697 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000732394526 862258637 /nfs/dbraw/zinc/25/86/37/862258637.db2.gz OXKMSNJCBPCCRT-VIFPVBQESA-N -1 3 379.294 3.774 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 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391.295 3.714 20 0 GHADHM O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852796 851934025 /nfs/dbraw/zinc/93/40/25/851934025.db2.gz QNRSOQDVNKPDFR-RRFJBIMHSA-N -1 3 394.500 3.791 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccnc2n[nH]nc21 ZINC000436520823 852010080 /nfs/dbraw/zinc/01/00/80/852010080.db2.gz JMXSLMIHUHHWHS-UHFFFAOYSA-N -1 3 388.412 3.588 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)Cc3cscn3)c2)cc1 ZINC000111996026 852015144 /nfs/dbraw/zinc/01/51/44/852015144.db2.gz MTIYHYOMZWJGIE-UHFFFAOYSA-N -1 3 387.530 3.884 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436532347 852023578 /nfs/dbraw/zinc/02/35/78/852023578.db2.gz XMWHBTFSJNTRMI-LDQXTDLNSA-N -1 3 380.488 3.900 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1cc2n(n1)CCCC2 ZINC000912034648 852028803 /nfs/dbraw/zinc/02/88/03/852028803.db2.gz DBIWNHABUYKEDB-NSHDSACASA-N -1 3 391.497 3.514 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000436551505 852040002 /nfs/dbraw/zinc/04/00/02/852040002.db2.gz ZWEKXEMUJHCECT-QGZVFWFLSA-N -1 3 394.471 3.659 20 0 GHADHM CCc1cccnc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555422 852044200 /nfs/dbraw/zinc/04/42/00/852044200.db2.gz IXUNBXIKWSKMML-HXUWFJFHSA-N -1 3 389.455 3.850 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(O[C@@H]2CCOC2)CC1 ZINC000436573382 852077755 /nfs/dbraw/zinc/07/77/55/852077755.db2.gz HLMFQNSWYSABLG-LJQANCHMSA-N -1 3 383.444 3.595 20 0 GHADHM C[S@](=O)C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436586636 852094665 /nfs/dbraw/zinc/09/46/65/852094665.db2.gz BZCQLPQVZRNHFH-PIKZIKFNSA-N -1 3 393.508 3.833 20 0 GHADHM CN(C(=O)c1cnc2c(cnn2C)c1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000187922586 852102089 /nfs/dbraw/zinc/10/20/89/852102089.db2.gz ZDKNUYOZBQGPKY-UHFFFAOYSA-N -1 3 388.427 3.530 20 0 GHADHM CCc1nc(-c2ccccc2NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)n[nH]1 ZINC000436604073 852104465 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CCCCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000436696260 852211746 /nfs/dbraw/zinc/21/17/46/852211746.db2.gz NWVOOUOJFVKASE-UHFFFAOYSA-N -1 3 398.503 3.538 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000436698928 852213564 /nfs/dbraw/zinc/21/35/64/852213564.db2.gz RHHLHCNBTAIZFU-UHFFFAOYSA-N -1 3 380.488 3.672 20 0 GHADHM CCN(CC(=O)N1CCCCCC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436701141 852217406 /nfs/dbraw/zinc/21/74/06/852217406.db2.gz ZDKBWOQKALMGKX-UHFFFAOYSA-N -1 3 394.515 3.848 20 0 GHADHM Cc1ccc(C=Cc2nc(SCc3noc(-c4ccccc4[O-])n3)n[nH]2)o1 ZINC000436702457 852221304 /nfs/dbraw/zinc/22/13/04/852221304.db2.gz CYDRYCVIVSEDGP-HJWRWDBZSA-N -1 3 381.417 3.924 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)c1cc(F)cc(Br)c1[O-])c1ccco1 ZINC000436716353 852240392 /nfs/dbraw/zinc/24/03/92/852240392.db2.gz TUXYICCLGDPFMF-HZMBPMFUSA-N -1 3 399.260 3.746 20 0 GHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436740554 852259598 /nfs/dbraw/zinc/25/95/98/852259598.db2.gz 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BZHRECDSNRVXAR-MRXNPFEDSA-N -1 3 394.265 3.696 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2Br)c([O-])c1 ZINC000436810148 852368612 /nfs/dbraw/zinc/36/86/12/852368612.db2.gz WVIXAUUEPGGJIZ-UHFFFAOYSA-N -1 3 380.238 3.987 20 0 GHADHM CCc1nc(C(C)C)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436808552 852368634 /nfs/dbraw/zinc/36/86/34/852368634.db2.gz LTHGYPIPUPPBRC-UHFFFAOYSA-N -1 3 395.503 3.508 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436815100 852375505 /nfs/dbraw/zinc/37/55/05/852375505.db2.gz UOKFBRBAMJFPJM-GOSISDBHSA-N -1 3 390.277 3.931 20 0 GHADHM COc1cccc(C[C@H](NCc2csc(-c3ccc(F)cc3)n2)C(=O)[O-])c1 ZINC000426784928 852389546 /nfs/dbraw/zinc/38/95/46/852389546.db2.gz OBANFMIRHBOBME-SFHVURJKSA-N -1 3 386.448 3.743 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000426785266 852390636 /nfs/dbraw/zinc/39/06/36/852390636.db2.gz PANSLUAORGABRX-KRWDZBQOSA-N -1 3 391.851 3.816 20 0 GHADHM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000436856088 852401085 /nfs/dbraw/zinc/40/10/85/852401085.db2.gz RCJCXOFLPSMQSQ-DIFFPNOSSA-N -1 3 381.350 3.719 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436847280 852411826 /nfs/dbraw/zinc/41/18/26/852411826.db2.gz PQSPKLNGYAPEDQ-CQSZACIVSA-N -1 3 394.393 3.810 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OC(C)C)c(OC)c2)C(=O)[O-])cc1F ZINC000426821517 852433210 /nfs/dbraw/zinc/43/32/10/852433210.db2.gz UBCGUFUFSYNFGL-IBGZPJMESA-N -1 3 377.412 3.546 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1ccc(Cl)cc1F ZINC000329832124 862356401 /nfs/dbraw/zinc/35/64/01/862356401.db2.gz KGVUXOOVKIKQQJ-SFHVURJKSA-N -1 3 395.883 3.852 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OC)c(OCC(C)C)c2)C(=O)[O-])cc1F ZINC000426830666 852464751 /nfs/dbraw/zinc/46/47/51/852464751.db2.gz ZWWKDKWMFJJZEG-HXUWFJFHSA-N -1 3 391.439 3.793 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436903737 852469649 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20 0 GHADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCc1ncccc1[O-] ZINC000437195759 852869391 /nfs/dbraw/zinc/86/93/91/852869391.db2.gz FUCAWBGLTMIEEU-UHFFFAOYSA-N -1 3 378.215 3.987 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)[n-]n1 ZINC000180922340 862409428 /nfs/dbraw/zinc/40/94/28/862409428.db2.gz HXONHCXUTKEJRP-UHFFFAOYSA-N -1 3 382.401 3.708 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n[n-]1 ZINC000180922340 862409438 /nfs/dbraw/zinc/40/94/38/862409438.db2.gz HXONHCXUTKEJRP-UHFFFAOYSA-N -1 3 382.401 3.708 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C)c(Cl)c1 ZINC000481862249 862416678 /nfs/dbraw/zinc/41/66/78/862416678.db2.gz KTELCMOVRCEQBM-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)cccc21 ZINC000516841027 853075790 /nfs/dbraw/zinc/07/57/90/853075790.db2.gz SHVSARFYIXDKFL-KRWDZBQOSA-N -1 3 398.887 3.806 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@H]1OCCc2sccc21 ZINC000490577512 853101597 /nfs/dbraw/zinc/10/15/97/853101597.db2.gz GOFDQZJKTQLCMP-APPDUMDISA-N -1 3 395.477 3.923 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481865563 862428550 /nfs/dbraw/zinc/42/85/50/862428550.db2.gz LPBLXEVLQHKBHW-UHFFFAOYSA-N -1 3 382.913 3.990 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1OCCc2sccc21 ZINC000490614980 853138249 /nfs/dbraw/zinc/13/82/49/853138249.db2.gz CXIURUCPUKIIGL-RFAUZJTJSA-N -1 3 375.874 3.521 20 0 GHADHM Cc1ccncc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000438988299 853163669 /nfs/dbraw/zinc/16/36/69/853163669.db2.gz VYKVLMLJPXKEPY-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(F)c(Br)c1 ZINC000507722523 853204775 /nfs/dbraw/zinc/20/47/75/853204775.db2.gz TZMJAZIAIOGBSV-SNVBAGLBSA-N -1 3 389.224 3.921 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000913297965 853208141 /nfs/dbraw/zinc/20/81/41/853208141.db2.gz BVGLOSYZYCMSID-SNVBAGLBSA-N -1 3 393.321 3.873 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000913297965 853208143 /nfs/dbraw/zinc/20/81/43/853208143.db2.gz BVGLOSYZYCMSID-SNVBAGLBSA-N -1 3 393.321 3.873 20 0 GHADHM CCN(c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1)C(C)C ZINC000913300016 853211135 /nfs/dbraw/zinc/21/11/35/853211135.db2.gz WOLMNPBRPPLAJT-UHFFFAOYSA-N -1 3 396.447 3.700 20 0 GHADHM CCN(c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1)C(C)C ZINC000913300016 853211145 /nfs/dbraw/zinc/21/11/45/853211145.db2.gz WOLMNPBRPPLAJT-UHFFFAOYSA-N -1 3 396.447 3.700 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000913302150 853224871 /nfs/dbraw/zinc/22/48/71/853224871.db2.gz PHXWWFFPCFUKSS-RYUDHWBXSA-N -1 3 387.823 3.746 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000913302150 853224880 /nfs/dbraw/zinc/22/48/80/853224880.db2.gz PHXWWFFPCFUKSS-RYUDHWBXSA-N -1 3 387.823 3.746 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)s1 ZINC000913340663 853259956 /nfs/dbraw/zinc/25/99/56/853259956.db2.gz JQBGBNACHFIRDE-ZDUSSCGKSA-N -1 3 389.477 3.825 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000437577266 853286764 /nfs/dbraw/zinc/28/67/64/853286764.db2.gz HPRGNGMHYAYXPH-HIFRSBDPSA-N -1 3 397.500 3.978 20 0 GHADHM Cc1oc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1S(=O)(=O)N(C)C ZINC000466576629 862454176 /nfs/dbraw/zinc/45/41/76/862454176.db2.gz WMRMVXQNGOVXCW-UHFFFAOYSA-N -1 3 395.239 3.537 20 0 GHADHM CSc1cc(C(=O)[N-]NC(=O)CCOc2ccccc2)c(Cl)cc1Cl ZINC000151353067 853358314 /nfs/dbraw/zinc/35/83/14/853358314.db2.gz KOGCTSWNHHUJOF-UHFFFAOYSA-N -1 3 399.299 3.945 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cc(F)c(Br)c(Cl)c1 ZINC000490946766 853361861 /nfs/dbraw/zinc/36/18/61/853361861.db2.gz CVOOFHSDQJMRHJ-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM CCN(C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000519708389 853417569 /nfs/dbraw/zinc/41/75/69/853417569.db2.gz DPUISODVOUVUQK-DQLDELGASA-N -1 3 398.478 3.535 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000519789546 853471830 /nfs/dbraw/zinc/47/18/30/853471830.db2.gz ZVCLEBCAFCFBBP-MOPGFXCFSA-N -1 3 375.490 3.787 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1Cl ZINC000481881959 862469487 /nfs/dbraw/zinc/46/94/87/862469487.db2.gz KFVPYMVRRBOYER-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000519861682 853559691 /nfs/dbraw/zinc/55/96/91/853559691.db2.gz TXNVHYKWYNYHLE-UHFFFAOYSA-N -1 3 379.865 3.895 20 0 GHADHM C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000519890113 853587505 /nfs/dbraw/zinc/58/75/05/853587505.db2.gz ICXFXSWJEDBLDR-NSHDSACASA-N -1 3 385.844 3.507 20 0 GHADHM CCc1cccc(NC(=S)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000054959991 853616382 /nfs/dbraw/zinc/61/63/82/853616382.db2.gz UKSHNABPIFVSSM-UHFFFAOYSA-N -1 3 396.285 3.782 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC=C(C)C3)c2)cc1 ZINC000437948780 853716108 /nfs/dbraw/zinc/71/61/08/853716108.db2.gz RFVCROMTCLASQT-UHFFFAOYSA-N -1 3 384.501 3.896 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000732804637 862503714 /nfs/dbraw/zinc/50/37/14/862503714.db2.gz ULDAPAXLRGNVLZ-UHFFFAOYSA-N -1 3 394.515 3.538 20 0 GHADHM Cc1csc([C@@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n1 ZINC000112634546 854280303 /nfs/dbraw/zinc/28/03/03/854280303.db2.gz MDEZAMNEGBBDME-SECBINFHSA-N -1 3 392.278 3.547 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000163773085 862556781 /nfs/dbraw/zinc/55/67/81/862556781.db2.gz XISOSPIQACDCRR-KRWDZBQOSA-N -1 3 382.794 3.607 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000588781687 854417007 /nfs/dbraw/zinc/41/70/07/854417007.db2.gz IFACFRDUEUUMSC-UHFFFAOYSA-N -1 3 382.460 3.503 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000588765628 854428789 /nfs/dbraw/zinc/42/87/89/854428789.db2.gz AAMWNJYWRRYMNX-UHFFFAOYSA-N -1 3 383.857 3.754 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000045269285 854459714 /nfs/dbraw/zinc/45/97/14/854459714.db2.gz XZVFHQCUSRVNAY-AWEZNQCLSA-N -1 3 379.844 3.660 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(OC)ccc2[O-])c(C)cc1Br ZINC000588862677 854555968 /nfs/dbraw/zinc/55/59/68/854555968.db2.gz ALDQKDGUCTYLIG-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](C4CC4)C3)nc(=O)c2c1C ZINC000588978286 854623839 /nfs/dbraw/zinc/62/38/39/854623839.db2.gz UYVUFLNUCBIPHG-GXTWGEPZSA-N -1 3 389.521 3.653 20 0 GHADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000589052949 854648907 /nfs/dbraw/zinc/64/89/07/854648907.db2.gz KWKMLPRUPIGTTL-UHFFFAOYSA-N -1 3 384.457 3.512 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC[C@H](c3ccccc3)C(C)C)c(=O)c2c(OC)c1 ZINC000624037755 862600876 /nfs/dbraw/zinc/60/08/76/862600876.db2.gz GXVWLKZHUZSDBS-KRWDZBQOSA-N -1 3 394.471 3.715 20 0 GHADHM CCc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)C[C@@H](C)O3)no2)c([O-])c1 ZINC000665009066 854763165 /nfs/dbraw/zinc/76/31/65/854763165.db2.gz FJKCFJSVLGGFBX-QRWLVFNGSA-N -1 3 379.460 3.967 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1C ZINC000589437059 854893701 /nfs/dbraw/zinc/89/37/01/854893701.db2.gz SVRBDHRVCKOSHV-UHFFFAOYSA-N -1 3 391.880 3.952 20 0 GHADHM CC(C)CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000589478335 854900786 /nfs/dbraw/zinc/90/07/86/854900786.db2.gz AZABCZOPWMVPBT-UHFFFAOYSA-N -1 3 395.352 3.555 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000572648551 854917062 /nfs/dbraw/zinc/91/70/62/854917062.db2.gz IMORAUMUOHTMGX-HNNXBMFYSA-N -1 3 376.460 3.850 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2ccccc2Br)CC1 ZINC000188871709 854965841 /nfs/dbraw/zinc/96/58/41/854965841.db2.gz ANGRGKDZYTYDGH-UHFFFAOYSA-N -1 3 376.250 3.880 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC1(Cl)Cl)c1csnc1-c1ccccc1 ZINC001213208584 854990990 /nfs/dbraw/zinc/99/09/90/854990990.db2.gz DKFPRIDHECCCCH-NSHDSACASA-N -1 3 377.318 3.672 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000589685998 855107204 /nfs/dbraw/zinc/10/72/04/855107204.db2.gz JSXGRTJDNQXLCE-OAQYLSRUSA-N -1 3 394.858 3.681 20 0 GHADHM CSc1nc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n[n-]1 ZINC000589692005 855110019 /nfs/dbraw/zinc/11/00/19/855110019.db2.gz MFYUNHATRUHTKO-UHFFFAOYSA-N -1 3 399.423 3.850 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000589695863 855112350 /nfs/dbraw/zinc/11/23/50/855112350.db2.gz SUYJKSPDFCXNQN-OAQYLSRUSA-N -1 3 380.488 3.950 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCS[C@H](CC)C3)nc(=O)c2c1C ZINC000253550076 855222091 /nfs/dbraw/zinc/22/20/91/855222091.db2.gz PKNIKPNYCHRVDP-VXGBXAGGSA-N -1 3 395.550 3.770 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000055584349 855351975 /nfs/dbraw/zinc/35/19/75/855351975.db2.gz FQXXFWVMAMLVRB-INIZCTEOSA-N -1 3 394.880 3.567 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC[C@@H]1C ZINC000131461555 855366684 /nfs/dbraw/zinc/36/66/84/855366684.db2.gz HDFMPEAGURTDJE-GJZGRUSLSA-N -1 3 390.480 3.745 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc(C=Cc3ccccc3)cs2)c(=O)[n-]1 ZINC000522683481 862677764 /nfs/dbraw/zinc/67/77/64/862677764.db2.gz JXDSFZKEHCXXCP-HJWRWDBZSA-N -1 3 380.473 3.997 20 0 GHADHM COc1ccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)cc1OC ZINC000542690909 855456067 /nfs/dbraw/zinc/45/60/67/855456067.db2.gz LZBDFABQFMFLQQ-UHFFFAOYSA-N -1 3 391.470 3.507 20 0 GHADHM COC(=O)C(C)(C)[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1 ZINC000590955347 855672863 /nfs/dbraw/zinc/67/28/63/855672863.db2.gz KWDKHMQTYFSGQG-HXUWFJFHSA-N -1 3 391.471 3.879 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000520570515 855677195 /nfs/dbraw/zinc/67/71/95/855677195.db2.gz OQANFCWEEIEBHA-UHFFFAOYSA-N -1 3 384.435 3.743 20 0 GHADHM COc1cccc(Cl)c1CNC[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000417634521 855764691 /nfs/dbraw/zinc/76/46/91/855764691.db2.gz IQZJXAORGNGVKB-LLVKDONJSA-N -1 3 387.785 3.799 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)n[n-]1 ZINC000591166540 855805445 /nfs/dbraw/zinc/80/54/45/855805445.db2.gz JNXOVVNWEGSBHP-UHFFFAOYSA-N -1 3 392.444 3.804 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC(c2ccccc2)CC1 ZINC000482140461 862725764 /nfs/dbraw/zinc/72/57/64/862725764.db2.gz KMICPNVSEKEINP-UHFFFAOYSA-N -1 3 399.292 3.930 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591440112 855988558 /nfs/dbraw/zinc/98/85/58/855988558.db2.gz ISAOLTNXRYYTGR-UHFFFAOYSA-N -1 3 376.343 3.754 20 0 GHADHM CCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H](CC)c1ccccc1 ZINC000591448590 855993476 /nfs/dbraw/zinc/99/34/76/855993476.db2.gz SUCOGHLKOUIVSF-LJQANCHMSA-N -1 3 380.492 3.984 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2Br)C1 ZINC000573259399 856030800 /nfs/dbraw/zinc/03/08/00/856030800.db2.gz VXTNECJHWLHNHZ-SFHVURJKSA-N -1 3 378.241 3.817 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1Cl ZINC000280933331 862756845 /nfs/dbraw/zinc/75/68/45/862756845.db2.gz GDTZGWKLSJYJMO-LLVKDONJSA-N -1 3 391.821 3.501 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000485129549 856128463 /nfs/dbraw/zinc/12/84/63/856128463.db2.gz FCEZCDSUXBHESK-UHFFFAOYSA-N -1 3 389.346 3.863 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000485129549 856128468 /nfs/dbraw/zinc/12/84/68/856128468.db2.gz FCEZCDSUXBHESK-UHFFFAOYSA-N -1 3 389.346 3.863 20 0 GHADHM COc1cccc(CN(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000905139767 856182761 /nfs/dbraw/zinc/18/27/61/856182761.db2.gz WYUYYPUZLJSDAC-UHFFFAOYSA-N -1 3 377.466 3.771 20 0 GHADHM COc1ccccc1CN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905142259 856183857 /nfs/dbraw/zinc/18/38/57/856183857.db2.gz CYNCOBWJRQXFOZ-UHFFFAOYSA-N -1 3 377.466 3.771 20 0 GHADHM O=C(NCC1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000033054032 856271441 /nfs/dbraw/zinc/27/14/41/856271441.db2.gz LBGNEBUFRDYNBH-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1OC ZINC000171965941 856315612 /nfs/dbraw/zinc/31/56/12/856315612.db2.gz OYISJMCMCHTKAR-UHFFFAOYSA-N -1 3 399.472 3.704 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482181599 862781450 /nfs/dbraw/zinc/78/14/50/862781450.db2.gz DTTHLLZXXNAPFI-GFCCVEGCSA-N -1 3 385.265 3.670 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427641079 856323843 /nfs/dbraw/zinc/32/38/43/856323843.db2.gz DIICXUYLERARKL-CQSZACIVSA-N -1 3 393.283 3.972 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000436785220 856326248 /nfs/dbraw/zinc/32/62/48/856326248.db2.gz SRAZPCNPHBFEKS-KRWDZBQOSA-N -1 3 396.226 3.641 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3c[n-]c4ccccc4c3=O)cc2)cs1 ZINC000042024524 856341920 /nfs/dbraw/zinc/34/19/20/856341920.db2.gz VNIDCKWDXDBMIC-UHFFFAOYSA-N -1 3 389.480 3.933 20 0 GHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485396431 856458853 /nfs/dbraw/zinc/45/88/53/856458853.db2.gz VTPNWDRVHKKGFJ-UHFFFAOYSA-N -1 3 393.679 3.807 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCSC[C@@H]1c1ccccc1 ZINC000485425134 856484299 /nfs/dbraw/zinc/48/42/99/856484299.db2.gz AUHJXDXJOHYJCQ-QGZVFWFLSA-N -1 3 386.423 3.737 20 0 GHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000186486866 856497920 /nfs/dbraw/zinc/49/79/20/856497920.db2.gz NQSMYTAGMLVDDH-QMMMGPOBSA-N -1 3 395.369 3.666 20 0 GHADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cc21 ZINC000472212711 856563867 /nfs/dbraw/zinc/56/38/67/856563867.db2.gz MSDLSOSXTXMNLN-UHFFFAOYSA-N -1 3 375.428 3.890 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1F ZINC000046149367 856580065 /nfs/dbraw/zinc/58/00/65/856580065.db2.gz QCBTXZKKMICWAH-HNNXBMFYSA-N -1 3 396.509 3.551 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1 ZINC000674648982 856584500 /nfs/dbraw/zinc/58/45/00/856584500.db2.gz ZSQCNMMIJZSCCN-UHFFFAOYSA-N -1 3 393.505 3.828 20 0 GHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000172812428 856622084 /nfs/dbraw/zinc/62/20/84/856622084.db2.gz JKNIJPUIBJAYNE-UHFFFAOYSA-N -1 3 388.489 3.940 20 0 GHADHM Cc1ccc(SC2(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CCCC2)cc1 ZINC000482220957 862820995 /nfs/dbraw/zinc/82/09/95/862820995.db2.gz OMUFSUJZTPPTFW-UHFFFAOYSA-N -1 3 384.427 3.853 20 0 GHADHM Cc1cc([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)ccc1-c1ccncc1 ZINC000906066795 856789439 /nfs/dbraw/zinc/78/94/39/856789439.db2.gz MJNYYUOXVVJHFN-XMMPIXPASA-N -1 3 381.523 3.610 20 0 GHADHM COCCCOc1cc(C)ccc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436949975 856822450 /nfs/dbraw/zinc/82/24/50/856822450.db2.gz UJPGWRNRHTXPBH-UHFFFAOYSA-N -1 3 384.388 3.562 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000573965356 856830324 /nfs/dbraw/zinc/83/03/24/856830324.db2.gz RBDNDLOTRAHDJW-UHFFFAOYSA-N -1 3 376.456 3.558 20 0 GHADHM COc1cc(Br)ccc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906106246 856832546 /nfs/dbraw/zinc/83/25/46/856832546.db2.gz IEUSMKOOKZRPMC-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000173291568 856833057 /nfs/dbraw/zinc/83/30/57/856833057.db2.gz AZHJGPXCXLEDDU-JTQLQIEISA-N -1 3 383.311 3.552 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000063273874 856919165 /nfs/dbraw/zinc/91/91/65/856919165.db2.gz JDKPMPPUVQYPLT-HNNXBMFYSA-N -1 3 390.480 3.889 20 0 GHADHM CCCCc1nc(NC(=O)C[C@H]2CCOc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485705966 856956610 /nfs/dbraw/zinc/95/66/10/856956610.db2.gz AAYDXDCNTQWLRH-CQSZACIVSA-N -1 3 385.464 3.824 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cncc([O-])c1 ZINC000111608245 856959499 /nfs/dbraw/zinc/95/94/99/856959499.db2.gz OQRZZAWICVCSGZ-UHFFFAOYSA-N -1 3 384.439 3.629 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC2(CCC2)CC1 ZINC000672256194 856998951 /nfs/dbraw/zinc/99/89/51/856998951.db2.gz QGKCLGBFYOSTQJ-UHFFFAOYSA-N -1 3 375.266 3.697 20 0 GHADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000760997451 857059960 /nfs/dbraw/zinc/05/99/60/857059960.db2.gz KZRFNFWXZZXSMH-HNNXBMFYSA-N -1 3 392.411 3.638 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1nccs1 ZINC000151483157 857112371 /nfs/dbraw/zinc/11/23/71/857112371.db2.gz XUJJFOXNMDDYRA-ZDUSSCGKSA-N -1 3 382.404 3.905 20 0 GHADHM Cc1cccc(Oc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000592877448 857119827 /nfs/dbraw/zinc/11/98/27/857119827.db2.gz UHXAVPOLCCPZCO-UHFFFAOYSA-N -1 3 386.407 3.601 20 0 GHADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2cccc(Br)c2F)C[C@@H](C)C1 ZINC001212450376 857240819 /nfs/dbraw/zinc/24/08/19/857240819.db2.gz PORJUYZUVOQVPY-QWRGUYRKSA-N -1 3 378.307 3.939 20 0 GHADHM COc1ccc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)c(Br)c1[O-] ZINC000761008890 857257858 /nfs/dbraw/zinc/25/78/58/857257858.db2.gz BOOWAMHFBGMPNP-AWEZNQCLSA-N -1 3 383.629 3.671 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1 ZINC000672428168 857327143 /nfs/dbraw/zinc/32/71/43/857327143.db2.gz IGYKSMIMPWVSRT-CYBMUJFWSA-N -1 3 397.855 3.588 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CC1 ZINC001212456110 857342806 /nfs/dbraw/zinc/34/28/06/857342806.db2.gz MJOZTPVGXHCQNY-UHFFFAOYSA-N -1 3 376.956 3.761 20 0 GHADHM COc1cccc(C[C@@H](CNCc2c(Cl)cccc2OC(F)F)C(=O)[O-])c1 ZINC000669481995 857466417 /nfs/dbraw/zinc/46/64/17/857466417.db2.gz CDCZYPYPHGZCOS-ZDUSSCGKSA-N -1 3 399.821 3.983 20 0 GHADHM COc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c(Br)c1[O-] ZINC000761016149 857472596 /nfs/dbraw/zinc/47/25/96/857472596.db2.gz UJNJCQVGAGSHRQ-WQLSENKSSA-N -1 3 392.180 3.647 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000108144974 857473365 /nfs/dbraw/zinc/47/33/65/857473365.db2.gz QEWZJIFNSIDNRU-ZDUSSCGKSA-N -1 3 385.489 3.581 20 0 GHADHM Cc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c([O-])c1 ZINC000157333852 857530255 /nfs/dbraw/zinc/53/02/55/857530255.db2.gz LWLGBDPECUIZCA-OAHLLOKOSA-N -1 3 385.464 3.567 20 0 GHADHM CC[C@@H]1CN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)CCN1CC(F)F ZINC000521050415 857544625 /nfs/dbraw/zinc/54/46/25/857544625.db2.gz NFCDXIWBTJGLDJ-CQSZACIVSA-N -1 3 377.435 3.716 20 0 GHADHM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OCCOC)cc3)ccc21 ZINC000063476097 857621415 /nfs/dbraw/zinc/62/14/15/857621415.db2.gz DVXWEVMQOYAUMY-UHFFFAOYSA-N -1 3 388.489 3.877 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181589454 862932493 /nfs/dbraw/zinc/93/24/93/862932493.db2.gz WMTVDCCMUPSNDL-SJORKVTESA-N -1 3 387.835 3.568 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001168402582 857625746 /nfs/dbraw/zinc/62/57/46/857625746.db2.gz DXCFRKDNQGYALD-DSQDWWTGSA-N -1 3 387.892 3.570 20 0 GHADHM CC(C)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000521182623 857719526 /nfs/dbraw/zinc/71/95/26/857719526.db2.gz RAFRIQMVYGXPJQ-CYBMUJFWSA-N -1 3 393.484 3.604 20 0 GHADHM Cc1ccc(C)n1C1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000672820609 857728823 /nfs/dbraw/zinc/72/88/23/857728823.db2.gz GLYFUZSYGDDKCA-UHFFFAOYSA-N -1 3 385.414 3.702 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000065056169 857768209 /nfs/dbraw/zinc/76/82/09/857768209.db2.gz HAQUMJWEHOHMLS-UHFFFAOYSA-N -1 3 398.459 3.653 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C(C)(C)O1 ZINC000509218718 862948444 /nfs/dbraw/zinc/94/84/44/862948444.db2.gz PLBMTIIREZAXCI-NSHDSACASA-N -1 3 396.734 3.727 20 0 GHADHM CCCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1OCCC ZINC000065774158 857848118 /nfs/dbraw/zinc/84/81/18/857848118.db2.gz ZVYDBMPXVORIIH-UHFFFAOYSA-N -1 3 397.431 3.792 20 0 GHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486553167 857853332 /nfs/dbraw/zinc/85/33/32/857853332.db2.gz YNQWYOYBUFOHFK-UHFFFAOYSA-N -1 3 391.237 3.594 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1C ZINC000065832804 857860907 /nfs/dbraw/zinc/86/09/07/857860907.db2.gz MWTXVGLRHHGHHV-UHFFFAOYSA-N -1 3 393.505 3.746 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1F ZINC000065857427 857866107 /nfs/dbraw/zinc/86/61/07/857866107.db2.gz KKYUVQLXIWCNRB-QGZVFWFLSA-N -1 3 375.425 3.663 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1OC ZINC000574478370 857875241 /nfs/dbraw/zinc/87/52/41/857875241.db2.gz YBBGWBTXCZVLAX-UHFFFAOYSA-N -1 3 386.429 3.692 20 0 GHADHM O=C(CCc1ccc2ccccc2n1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000486634883 857926499 /nfs/dbraw/zinc/92/64/99/857926499.db2.gz JLDDJXGWUSXFSH-UHFFFAOYSA-N -1 3 378.382 3.896 20 0 GHADHM O=C(Nc1nc(Sc2ccccc2)ns1)c1c[n-]c2ccccc2c1=O ZINC000109865358 858005111 /nfs/dbraw/zinc/00/51/11/858005111.db2.gz ZEBVEAXOMZKILY-UHFFFAOYSA-N -1 3 380.454 3.783 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Oc1ccccc1C ZINC000442765002 858107527 /nfs/dbraw/zinc/10/75/27/858107527.db2.gz LRASEQRYQSKWHE-CYBMUJFWSA-N -1 3 388.411 3.545 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)ccc2O1 ZINC000521566993 858120416 /nfs/dbraw/zinc/12/04/16/858120416.db2.gz KFEUOWYVVJUMOP-AWEZNQCLSA-N -1 3 382.441 3.998 20 0 GHADHM O=C(Nc1ccc(F)c(C2CC2)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000521604999 858150872 /nfs/dbraw/zinc/15/08/72/858150872.db2.gz GLKDWXQQEGWNLW-UHFFFAOYSA-N -1 3 397.450 3.835 20 0 GHADHM COCC[C@H]1CCCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000574697650 858167814 /nfs/dbraw/zinc/16/78/14/858167814.db2.gz WGJMFFHTGNLQJZ-MLGOLLRUSA-N -1 3 388.277 3.853 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cnccc1C(F)(F)F ZINC000442916412 858223352 /nfs/dbraw/zinc/22/33/52/858223352.db2.gz BCPBCUUOSNQZHE-QGZVFWFLSA-N -1 3 393.390 3.563 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3cc(C)sc3C)nc21 ZINC000158413120 863006598 /nfs/dbraw/zinc/00/65/98/863006598.db2.gz WDTYSGABIHBWMG-UHFFFAOYSA-N -1 3 385.445 3.629 20 0 GHADHM C[C@H](c1nnc(SCc2ncccc2[O-])n1-c1ccc(Cl)cc1)N(C)C ZINC000574771086 858313828 /nfs/dbraw/zinc/31/38/28/858313828.db2.gz QQVBVUXVVKHGGJ-GFCCVEGCSA-N -1 3 389.912 3.936 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1Cl ZINC000443085208 858344867 /nfs/dbraw/zinc/34/48/67/858344867.db2.gz JXOMRLUOALBVBF-UHFFFAOYSA-N -1 3 399.871 3.565 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000443082651 858358034 /nfs/dbraw/zinc/35/80/34/858358034.db2.gz AOLJEZDIFKISLC-KRWDZBQOSA-N -1 3 397.855 3.695 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1 ZINC000443098374 858375795 /nfs/dbraw/zinc/37/57/95/858375795.db2.gz ZTVQIBHWZQVXIA-INIZCTEOSA-N -1 3 379.453 3.678 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000121065531 858436624 /nfs/dbraw/zinc/43/66/24/858436624.db2.gz VBRCAWWAAOGHCN-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000121065531 858436630 /nfs/dbraw/zinc/43/66/30/858436630.db2.gz VBRCAWWAAOGHCN-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Oc3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000466145260 858466346 /nfs/dbraw/zinc/46/63/46/858466346.db2.gz UIKYJQOVDACMCQ-CYBMUJFWSA-N -1 3 396.422 3.886 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1O)c1ccc(Cl)cc1C(F)(F)F ZINC000443200012 858469651 /nfs/dbraw/zinc/46/96/51/858469651.db2.gz SKZFMONZZPAJQJ-UHFFFAOYSA-N -1 3 379.787 3.585 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000521992470 858516102 /nfs/dbraw/zinc/51/61/02/858516102.db2.gz FYEDALSLGKJBAU-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000521992470 858516105 /nfs/dbraw/zinc/51/61/05/858516105.db2.gz FYEDALSLGKJBAU-UHFFFAOYSA-N -1 3 387.230 3.585 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cn2ccnc2s1 ZINC000443289466 858537827 /nfs/dbraw/zinc/53/78/27/858537827.db2.gz CTDXKECWAAKTGM-UHFFFAOYSA-N -1 3 378.244 3.767 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cccc(Cl)c3)o[n-]2)nnn1CC1CCCC1 ZINC000575129027 858574456 /nfs/dbraw/zinc/57/44/56/858574456.db2.gz IQMBYPWVAJEPAY-UHFFFAOYSA-N -1 3 385.855 3.759 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)Oc3ccccc3F)cc2)cc(=O)[n-]1 ZINC000466178322 858601242 /nfs/dbraw/zinc/60/12/42/858601242.db2.gz MPTVEPRVAZNJNQ-CYBMUJFWSA-N -1 3 396.422 3.886 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3nnnc3C(C)C)c(C)c2)c1 ZINC000543162920 858690175 /nfs/dbraw/zinc/69/01/75/858690175.db2.gz POFLBZSFCSMKKL-UHFFFAOYSA-N -1 3 385.493 3.512 20 0 GHADHM CS[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C ZINC000543166802 858721659 /nfs/dbraw/zinc/72/16/59/858721659.db2.gz MYYPJVIWWFRUDH-GFCCVEGCSA-N -1 3 384.336 3.644 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cccc2cccnc21 ZINC000033534723 858783194 /nfs/dbraw/zinc/78/31/94/858783194.db2.gz MFLHWJOSJHWJIV-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(OCc3ccc(C)cc3)cc2)[n-]1 ZINC000895236214 858839043 /nfs/dbraw/zinc/83/90/43/858839043.db2.gz MANGLJOMMXTHMZ-MRXNPFEDSA-N -1 3 394.475 3.720 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2c(Cl)cccc2SC(C)C)n[n-]1 ZINC000895239186 858849356 /nfs/dbraw/zinc/84/93/56/858849356.db2.gz MRSOOVZLQZPERU-NSHDSACASA-N -1 3 382.917 3.986 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2c(Cl)cccc2SC(C)C)[n-]1 ZINC000895239186 858849361 /nfs/dbraw/zinc/84/93/61/858849361.db2.gz MRSOOVZLQZPERU-NSHDSACASA-N -1 3 382.917 3.986 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2c(Cl)cccc2SC(C)C)n1 ZINC000895239186 858849377 /nfs/dbraw/zinc/84/93/77/858849377.db2.gz MRSOOVZLQZPERU-NSHDSACASA-N -1 3 382.917 3.986 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCSCC(C)C)[n-]c(=O)c12 ZINC000443514412 858866958 /nfs/dbraw/zinc/86/69/58/858866958.db2.gz GJGPTKPOUGKALQ-UHFFFAOYSA-N -1 3 381.523 3.697 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113365013 859039862 /nfs/dbraw/zinc/03/98/62/859039862.db2.gz UYJLUHMGXLOBCE-AWEZNQCLSA-N -1 3 390.226 3.686 20 0 GHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CCCC2)O1 ZINC000443626997 859075924 /nfs/dbraw/zinc/07/59/24/859075924.db2.gz WZGPBEDBZUORMM-UHFFFAOYSA-N -1 3 397.313 3.788 20 0 GHADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909513890 859084835 /nfs/dbraw/zinc/08/48/35/859084835.db2.gz WCUGNMQEHCJMOP-KRWDZBQOSA-N -1 3 384.451 3.991 20 0 GHADHM COc1cccc(C(=O)Nc2cc(I)ccc2C)c1[O-] ZINC000380235111 859148565 /nfs/dbraw/zinc/14/85/65/859148565.db2.gz MIYIQYYNPFKOKU-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1F ZINC000466358018 859237684 /nfs/dbraw/zinc/23/76/84/859237684.db2.gz SJHNIXVUTSDYAO-UHFFFAOYSA-N -1 3 393.415 3.658 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1)C(=O)[O-] ZINC000909519020 859249723 /nfs/dbraw/zinc/24/97/23/859249723.db2.gz GWJUCTKZUQCNIG-VQIMIIECSA-N -1 3 398.478 3.940 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000068929942 859260151 /nfs/dbraw/zinc/26/01/51/859260151.db2.gz NXLBALIFTJWGPB-OAHLLOKOSA-N -1 3 388.464 3.713 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000483274931 859263187 /nfs/dbraw/zinc/26/31/87/859263187.db2.gz BSFWAIPIDNIYTB-UHFFFAOYSA-N -1 3 399.332 3.820 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccccc1-c1ccno1 ZINC000509391816 859282520 /nfs/dbraw/zinc/28/25/20/859282520.db2.gz LVBPBCPZEPKMRT-UHFFFAOYSA-N -1 3 384.335 3.883 20 0 GHADHM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000187166427 859325084 /nfs/dbraw/zinc/32/50/84/859325084.db2.gz FJFDIDNLKUTEAP-UHFFFAOYSA-N -1 3 389.202 3.606 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000923472782 859356906 /nfs/dbraw/zinc/35/69/06/859356906.db2.gz YWAGJDIUCHGDCZ-HXUWFJFHSA-N -1 3 375.900 3.970 20 0 GHADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)s1 ZINC000509430527 859423106 /nfs/dbraw/zinc/42/31/06/859423106.db2.gz KWBKEQZNOHRGLN-UHFFFAOYSA-N -1 3 398.859 3.953 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000483569041 859466410 /nfs/dbraw/zinc/46/64/10/859466410.db2.gz SJRMYFFAVMBUGQ-JQWIXIFHSA-N -1 3 385.390 3.662 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000016470357 859526215 /nfs/dbraw/zinc/52/62/15/859526215.db2.gz ZSBJBADKWGYLEX-OAQYLSRUSA-N -1 3 395.890 3.879 20 0 GHADHM CSc1ccc(Cl)c(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000673504947 859612717 /nfs/dbraw/zinc/61/27/17/859612717.db2.gz UNDOGMPWUGNNPF-GHMZBOCLSA-N -1 3 393.896 3.556 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccccc2F)CCCC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504488 859613414 /nfs/dbraw/zinc/61/34/14/859613414.db2.gz PLUSUHBCNNYHRJ-HUUCEWRRSA-N -1 3 399.466 3.518 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509162 859631819 /nfs/dbraw/zinc/63/18/19/859631819.db2.gz PCGQPIZPBKYOLT-LSDHHAIUSA-N -1 3 399.466 3.518 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000163317408 859692631 /nfs/dbraw/zinc/69/26/31/859692631.db2.gz DDDSZVXSKHCBTF-KRWDZBQOSA-N -1 3 393.468 3.759 20 0 GHADHM CCc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1CC ZINC000489534347 859704585 /nfs/dbraw/zinc/70/45/85/859704585.db2.gz UBMWNLBHVKAUKQ-UHFFFAOYSA-N -1 3 390.487 3.836 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1C ZINC000484051162 859783815 /nfs/dbraw/zinc/78/38/15/859783815.db2.gz HTOOYDQTUPXMHM-LLVKDONJSA-N -1 3 387.871 3.889 20 0 GHADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484085325 859808859 /nfs/dbraw/zinc/80/88/59/859808859.db2.gz SJUQRFFHXVCJKH-UHFFFAOYSA-N -1 3 394.324 3.680 20 0 GHADHM COc1cc(C(=O)NCc2cccc(COc3ccccc3)c2)cc(OC)c1[O-] ZINC000484191985 859874695 /nfs/dbraw/zinc/87/46/95/859874695.db2.gz SDNUYVUXTHQDMM-UHFFFAOYSA-N -1 3 393.439 3.918 20 0 GHADHM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765312404 859901200 /nfs/dbraw/zinc/90/12/00/859901200.db2.gz XGEVXUJFSAGQLS-SJORKVTESA-N -1 3 384.348 3.757 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000597915964 859924755 /nfs/dbraw/zinc/92/47/55/859924755.db2.gz XXFNNIQGNXBXCR-KRWDZBQOSA-N -1 3 385.435 3.542 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1OC(F)F ZINC000114800677 859929950 /nfs/dbraw/zinc/92/99/50/859929950.db2.gz KMDWEIXVJHAJGR-OAHLLOKOSA-N -1 3 390.386 3.545 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCO[C@@H](c4ccccc4)C3)nc2)n1 ZINC000597941630 859945868 /nfs/dbraw/zinc/94/58/68/859945868.db2.gz AXTOVORKCZOJSB-LJQANCHMSA-N -1 3 376.460 3.775 20 0 GHADHM CCOC[C@@H](NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000904016490 860027032 /nfs/dbraw/zinc/02/70/32/860027032.db2.gz BRFMUUQUHYCBSY-MRXNPFEDSA-N -1 3 385.794 3.990 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@@H]1CCCC[C@H]1C ZINC000727320108 860044741 /nfs/dbraw/zinc/04/47/41/860044741.db2.gz JLLSXIQVSXAEMB-RHSMWYFYSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436537416 860045359 /nfs/dbraw/zinc/04/53/59/860045359.db2.gz GVSAJOCGEHHKBF-UHFFFAOYSA-N -1 3 381.413 3.623 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc2c(cc1[O-])OCO2 ZINC000436552002 860052198 /nfs/dbraw/zinc/05/21/98/860052198.db2.gz SSMDFYYPKNIKIU-LBPRGKRZSA-N -1 3 391.807 3.584 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)n1cc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000598117032 860062545 /nfs/dbraw/zinc/06/25/45/860062545.db2.gz LWQCVKKZTFJEPI-UHFFFAOYSA-N -1 3 379.844 3.571 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436549370 860067991 /nfs/dbraw/zinc/06/79/91/860067991.db2.gz PHGGWYCBVXBUGU-ZDUSSCGKSA-N -1 3 396.443 3.554 20 0 GHADHM Cc1cccc(OCCC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000428875336 860128640 /nfs/dbraw/zinc/12/86/40/860128640.db2.gz TZEXVGGLRMQISV-UHFFFAOYSA-N -1 3 378.266 3.857 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cc([O-])c3ccccc3c2)N2CCOCC2)cc1 ZINC000526869400 860161595 /nfs/dbraw/zinc/16/15/95/860161595.db2.gz UURUFXWQDVXRAF-QFIPXVFZSA-N -1 3 390.483 3.657 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000484614371 860164809 /nfs/dbraw/zinc/16/48/09/860164809.db2.gz ICIOKMFAMLOZCM-RBUKOAKNSA-N -1 3 393.530 3.892 20 0 GHADHM CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527452755 860179395 /nfs/dbraw/zinc/17/93/95/860179395.db2.gz FQIGPCSFBMQBSK-UHFFFAOYSA-N -1 3 376.456 3.654 20 0 GHADHM O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527454657 860180358 /nfs/dbraw/zinc/18/03/58/860180358.db2.gz UGQLNNOPCSFWAA-UHFFFAOYSA-N -1 3 394.858 3.797 20 0 GHADHM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1cccnc1 ZINC000017801874 860188012 /nfs/dbraw/zinc/18/80/12/860188012.db2.gz YNFRRYJQPBAHQX-AWEZNQCLSA-N -1 3 399.447 3.513 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)C2CCCCC2)ccc1F ZINC000727713354 860188957 /nfs/dbraw/zinc/18/89/57/860188957.db2.gz HKFVINYYHSCIKN-UHFFFAOYSA-N -1 3 396.528 3.697 20 0 GHADHM CCO[C@H]1C[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(CC)CC ZINC000904220251 860242495 /nfs/dbraw/zinc/24/24/95/860242495.db2.gz OOFUACPSMVMOCP-ROUUACIJSA-N -1 3 378.513 3.654 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@@H](C[C@@H]3CCOC3)c3ccccc3)o2)CC1 ZINC000904226154 860250683 /nfs/dbraw/zinc/25/06/83/860250683.db2.gz RPRQVUWHGQCYLX-UWJYYQICSA-N -1 3 398.503 3.838 20 0 GHADHM CCC[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H](O)c1ccccc1 ZINC000904235190 860273189 /nfs/dbraw/zinc/27/31/89/860273189.db2.gz FLWFVHFODMACCE-PZJWPPBQSA-N -1 3 386.492 3.573 20 0 GHADHM Cc1cc(NC(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)cs1 ZINC001168730394 860340484 /nfs/dbraw/zinc/34/04/84/860340484.db2.gz NJHXSQXRHZINTK-UHFFFAOYSA-N -1 3 381.413 3.615 20 0 GHADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nc(-c2cccnc2)no1 ZINC000727994646 860341186 /nfs/dbraw/zinc/34/11/86/860341186.db2.gz LJQAPLZHIKFZKE-OAHLLOKOSA-N -1 3 390.365 3.876 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000024887405 860354583 /nfs/dbraw/zinc/35/45/83/860354583.db2.gz HTEPLAQMXHVOSH-UHFFFAOYSA-N -1 3 384.457 3.889 20 0 GHADHM C[C@H](NCc1nc(=O)n(C)[n-]1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000484800270 860359132 /nfs/dbraw/zinc/35/91/32/860359132.db2.gz VHMQBEYEXLAGSR-JTQLQIEISA-N -1 3 382.411 3.707 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)C(C)(C)Oc2cccc(Cl)c2)[nH][n-]1 ZINC000602940928 860375226 /nfs/dbraw/zinc/37/52/26/860375226.db2.gz NKNGKJWFPMDWJG-UHFFFAOYSA-N -1 3 385.851 3.957 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603043764 860454554 /nfs/dbraw/zinc/45/45/54/860454554.db2.gz PHIVWFSMSWQWRP-ZJUUUORDSA-N -1 3 384.855 3.707 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cccc(F)c3F)c2)n1 ZINC000116453311 860628748 /nfs/dbraw/zinc/62/87/48/860628748.db2.gz XVKUWULZQLOFHZ-UHFFFAOYSA-N -1 3 383.398 3.849 20 0 GHADHM O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000061142298 860798692 /nfs/dbraw/zinc/79/86/92/860798692.db2.gz GVLAKFJXXSGGMR-UHFFFAOYSA-N -1 3 379.416 3.653 20 0 GHADHM O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000061142298 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GHADHM CCOc1ccccc1CN1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H](C)C1 ZINC000622581813 865085268 /nfs/dbraw/zinc/08/52/68/865085268.db2.gz CSMBSSRFEBGFEL-OAHLLOKOSA-N -1 3 388.895 3.791 20 0 GHADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000622670602 865135473 /nfs/dbraw/zinc/13/54/73/865135473.db2.gz BIYFDWIWKDPMCK-UHFFFAOYSA-N -1 3 384.320 3.510 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000736117988 865139426 /nfs/dbraw/zinc/13/94/26/865139426.db2.gz PPIKNKPYUGATLN-CPUCHLNUSA-N -1 3 396.528 3.696 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(Cn4ccnc4)c3)nc2)n1 ZINC000301185008 865211553 /nfs/dbraw/zinc/21/15/53/865211553.db2.gz RKCIFNIGPDFFHE-UHFFFAOYSA-N -1 3 386.459 3.664 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccccc4C)C3)nc2)n1 ZINC000301404029 865341296 /nfs/dbraw/zinc/34/12/96/865341296.db2.gz FHMMXOOHSKUXHI-IBGZPJMESA-N -1 3 376.460 3.693 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480915289 865499566 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GHADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000183666208 867136789 /nfs/dbraw/zinc/13/67/89/867136789.db2.gz OJTAOWFVCUXHBX-UHFFFAOYSA-N -1 3 389.886 3.535 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1C ZINC000153964231 867180367 /nfs/dbraw/zinc/18/03/67/867180367.db2.gz BJAHLSHQRGKLRZ-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)n[n-]1 ZINC000444764127 867194610 /nfs/dbraw/zinc/19/46/10/867194610.db2.gz XNOSRIMNVCTBRZ-QAPCUYQASA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)[n-]1 ZINC000444764127 867194620 /nfs/dbraw/zinc/19/46/20/867194620.db2.gz XNOSRIMNVCTBRZ-QAPCUYQASA-N -1 3 398.507 3.517 20 0 GHADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000742325674 867207040 /nfs/dbraw/zinc/20/70/40/867207040.db2.gz GXQTXCGOBABRCM-NXEZZACHSA-N -1 3 382.295 3.700 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000523424211 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GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000743047446 867781353 /nfs/dbraw/zinc/78/13/53/867781353.db2.gz VGRLQQXURVGNFP-UHFFFAOYSA-N -1 3 389.521 3.706 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)c2ccccc2Oc2ccccc2)c(=O)[n-]1 ZINC000155201566 867801926 /nfs/dbraw/zinc/80/19/26/867801926.db2.gz QPZHLIGOATWDIL-UHFFFAOYSA-N -1 3 377.444 3.775 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000534944976 867809170 /nfs/dbraw/zinc/80/91/70/867809170.db2.gz PQIIWBMBCPETRD-UHFFFAOYSA-N -1 3 382.729 3.955 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C3CC3)C3CCC3)cs2)c1 ZINC000457235518 867920663 /nfs/dbraw/zinc/92/06/63/867920663.db2.gz IHHDKLCLCGKWAD-IBGZPJMESA-N -1 3 399.516 3.647 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000190284000 882141210 /nfs/dbraw/zinc/14/12/10/882141210.db2.gz SXIPIKQVOOAGSP-UHFFFAOYSA-N -1 3 382.420 3.845 20 0 GHADHM COc1cc(Cl)c(Cl)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000479550620 868010001 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379.716 3.541 20 0 GHADHM Cc1cscc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000445634146 868787420 /nfs/dbraw/zinc/78/74/20/868787420.db2.gz DXXKDXGEIQDWMZ-JTQLQIEISA-N -1 3 383.882 3.799 20 0 GHADHM N=c1[n-]nc([C@H]2CCCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C2)o1 ZINC000639820309 868854885 /nfs/dbraw/zinc/85/48/85/868854885.db2.gz GUMRCSZXGXYUIG-KRWDZBQOSA-N -1 3 382.439 3.580 20 0 GHADHM CCCCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000524313304 868893299 /nfs/dbraw/zinc/89/32/99/868893299.db2.gz MXQMHLJHJFRVCE-UHFFFAOYSA-N -1 3 384.723 3.588 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(N)=O)cc2)c(C)c1C ZINC000158227622 868901959 /nfs/dbraw/zinc/90/19/59/868901959.db2.gz PWVFKUFJLLRFNF-UHFFFAOYSA-N -1 3 388.533 3.792 20 0 GHADHM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cc(F)ccc1F ZINC000744727193 869030756 /nfs/dbraw/zinc/03/07/56/869030756.db2.gz YJTPAIWCLQKSRF-PXAZEXFGSA-N -1 3 375.371 3.579 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccncc2)cc1)c1cc(F)c(F)c(F)c1 ZINC000462343741 869260932 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CCOC(=O)c1ccc(NC(=O)c2scc(C)c2Br)c([O-])c1 ZINC000190937996 882314950 /nfs/dbraw/zinc/31/49/50/882314950.db2.gz HMANIHQCHDBQNH-UHFFFAOYSA-N -1 3 384.251 3.954 20 0 GHADHM CC1(C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@](C)(C(F)(F)F)O1 ZINC000857512682 882317041 /nfs/dbraw/zinc/31/70/41/882317041.db2.gz QHASIPADRIPIAN-CQSZACIVSA-N -1 3 385.304 3.983 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ncc(-c3ccc(OC)cc3)o2)cc1[O-] ZINC000745654719 869723678 /nfs/dbraw/zinc/72/36/78/869723678.db2.gz DWFUPXOZHHBQQA-UHFFFAOYSA-N -1 3 398.371 3.591 20 0 GHADHM CC(C)c1nn(C)cc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000446364886 869752894 /nfs/dbraw/zinc/75/28/94/869752894.db2.gz WXCIETZOZPGONI-UHFFFAOYSA-N -1 3 378.263 3.915 20 0 GHADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000462605890 869755754 /nfs/dbraw/zinc/75/57/54/869755754.db2.gz WENCGWRWOJRGIS-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM CC/C(=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(Cl)c1 ZINC000745759859 869788108 /nfs/dbraw/zinc/78/81/08/869788108.db2.gz UVVCAGIQBDNLHX-BENRWUELSA-N -1 3 377.849 3.695 20 0 GHADHM Cc1cc(-c2ncccc2NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000446468564 869896912 /nfs/dbraw/zinc/89/69/12/869896912.db2.gz MLDDRTQDIURROX-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccccc1N1CCCCC1)c2=O ZINC000539876051 869921442 /nfs/dbraw/zinc/92/14/42/869921442.db2.gz DBEPOZQGUMWDKR-UHFFFAOYSA-N -1 3 395.434 3.918 20 0 GHADHM CCc1cccc(C(=O)Nc2c(C)cnn2Cc2ccc(OC)c(OC)c2)c1[O-] ZINC000539889739 869951539 /nfs/dbraw/zinc/95/15/39/869951539.db2.gz LCUQFUQGWOCITN-UHFFFAOYSA-N -1 3 395.459 3.777 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])NCc1ccco1 ZINC000746080366 869998687 /nfs/dbraw/zinc/99/86/87/869998687.db2.gz WQHWCFGCTVWFOU-UHFFFAOYSA-N -1 3 385.803 3.779 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)c1 ZINC000446605060 870077952 /nfs/dbraw/zinc/07/79/52/870077952.db2.gz OEUYBOJOAGKYOU-INIZCTEOSA-N -1 3 375.472 3.854 20 0 GHADHM CC(C)n1cc2cc([N-]S(=O)(=O)CCOc3ccc(F)cc3)ccc2n1 ZINC000525238820 870231220 /nfs/dbraw/zinc/23/12/20/870231220.db2.gz LFIXNBPPDRSKDM-UHFFFAOYSA-N -1 3 377.441 3.577 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3Cl)c2)o1 ZINC001192265827 870251066 /nfs/dbraw/zinc/25/10/66/870251066.db2.gz JGADRONVHCJWOU-UHFFFAOYSA-N -1 3 385.779 3.777 20 0 GHADHM O=C([O-])[C@@]12CCC[C@H]1CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 ZINC000263576244 870311870 /nfs/dbraw/zinc/31/18/70/870311870.db2.gz QEHUIPDDZMIFAF-DKZVUGQWSA-N -1 3 382.435 3.692 20 0 GHADHM COc1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2Cl)c(C)c1 ZINC000462939903 870464597 /nfs/dbraw/zinc/46/45/97/870464597.db2.gz GZUNYTLBGOPUMC-SFHVURJKSA-N -1 3 379.851 3.898 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(CCCc3ccccc3)cc2)c(=O)[n-]1 ZINC000102380567 882413574 /nfs/dbraw/zinc/41/35/74/882413574.db2.gz NFMUKHGAUSYYGU-UHFFFAOYSA-N -1 3 375.472 3.743 20 0 GHADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1F ZINC000525366978 870510436 /nfs/dbraw/zinc/51/04/36/870510436.db2.gz COHXZFZMGISMGS-HNNXBMFYSA-N -1 3 395.452 3.937 20 0 GHADHM CC(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000617607991 870517084 /nfs/dbraw/zinc/51/70/84/870517084.db2.gz GYXMMOMKYKGICB-OAQYLSRUSA-N -1 3 392.499 3.705 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000248613526 870538202 /nfs/dbraw/zinc/53/82/02/870538202.db2.gz WQUXQKSJHQTCQF-CBGDNZLLSA-N -1 3 380.488 3.758 20 0 GHADHM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1c[n-]c2ccccc2c1=O ZINC000540118989 870540107 /nfs/dbraw/zinc/54/01/07/870540107.db2.gz AFNZWAWDQXNNHU-UHFFFAOYSA-N -1 3 399.237 3.695 20 0 GHADHM CSc1nc(Cl)c(C(=O)[N-]c2cc(-c3ccccn3)no2)c(Cl)n1 ZINC001192617867 870565873 /nfs/dbraw/zinc/56/58/73/870565873.db2.gz GARXHAPQROWYQM-UHFFFAOYSA-N -1 3 382.232 3.808 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1[O-] ZINC000193354364 870597532 /nfs/dbraw/zinc/59/75/32/870597532.db2.gz CXHSAHBNZFJRNW-UHFFFAOYSA-N -1 3 382.460 3.834 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)sc1C ZINC001192662277 870611256 /nfs/dbraw/zinc/61/12/56/870611256.db2.gz GRGFOULOZPWBGD-IUODEOHRSA-N -1 3 391.436 3.578 20 0 GHADHM CCc1nc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)nn1-c1ccccc1Cl ZINC000461627490 870655688 /nfs/dbraw/zinc/65/56/88/870655688.db2.gz DMUIKFWYAUAOFQ-UHFFFAOYSA-N -1 3 393.834 3.812 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000747150011 882451385 /nfs/dbraw/zinc/45/13/85/882451385.db2.gz NUFLLARFWOWMPN-UHFFFAOYSA-N -1 3 380.297 3.960 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1ccc(Cl)cc1F ZINC001193322179 871021074 /nfs/dbraw/zinc/02/10/74/871021074.db2.gz CGTVULBHAVLELP-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)c(Cl)c2)c1 ZINC000181486786 871084955 /nfs/dbraw/zinc/08/49/55/871084955.db2.gz BNLHSQDSSRRXMU-MRXNPFEDSA-N -1 3 383.835 3.793 20 0 GHADHM C[C@@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001193453743 871093929 /nfs/dbraw/zinc/09/39/29/871093929.db2.gz MUHBAKLKISYZMS-GFCCVEGCSA-N -1 3 381.432 3.966 20 0 GHADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1c[n-]c2ccccc2c1=O ZINC000618030034 871151516 /nfs/dbraw/zinc/15/15/16/871151516.db2.gz RGAXTKUPEWINOU-UHFFFAOYSA-N -1 3 384.439 3.980 20 0 GHADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]Cc1nc2c(s1)CCC2 ZINC000920981312 882498245 /nfs/dbraw/zinc/49/82/45/882498245.db2.gz DDPSMIFEPYWAFK-UHFFFAOYSA-N -1 3 383.347 3.620 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(OCc2ccccc2)cc1F ZINC001193826732 871328913 /nfs/dbraw/zinc/32/89/13/871328913.db2.gz OOWSJSUCTPUVGV-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(OCc2ccccc2)cc1F ZINC001193826732 871328933 /nfs/dbraw/zinc/32/89/33/871328933.db2.gz OOWSJSUCTPUVGV-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)cc2)o1 ZINC000525751167 871380839 /nfs/dbraw/zinc/38/08/39/871380839.db2.gz MJRQWMZTXQTDSK-UHFFFAOYSA-N -1 3 387.461 3.725 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000618183866 871401083 /nfs/dbraw/zinc/40/10/83/871401083.db2.gz MJGBEGSNSPORMP-IBGZPJMESA-N -1 3 394.519 3.502 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N(C)C ZINC001193946069 871422272 /nfs/dbraw/zinc/42/22/72/871422272.db2.gz NNVIJUMCUIIFAP-HNNXBMFYSA-N -1 3 383.275 3.746 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@@H]1CCCC1(F)F ZINC001194109082 871480370 /nfs/dbraw/zinc/48/03/70/871480370.db2.gz KBWVQYSPPAVVDA-VIFPVBQESA-N -1 3 388.299 3.923 20 0 GHADHM CCC[C@H](C)CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001194233636 871543207 /nfs/dbraw/zinc/54/32/07/871543207.db2.gz INMVYSJGIZJFEN-JTQLQIEISA-N -1 3 382.295 3.701 20 0 GHADHM O=S(=O)([N-]CCCCF)c1csc(-c2ccc(Br)cc2)n1 ZINC000462109419 871606274 /nfs/dbraw/zinc/60/62/74/871606274.db2.gz AEUFGHHJRRZLIZ-UHFFFAOYSA-N -1 3 393.303 3.601 20 0 GHADHM O=C([O-])c1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000766739453 871623040 /nfs/dbraw/zinc/62/30/40/871623040.db2.gz UWAWTQHMTRAKDX-IBGZPJMESA-N -1 3 392.377 3.778 20 0 GHADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1 ZINC000462140886 871671634 /nfs/dbraw/zinc/67/16/34/871671634.db2.gz QFMNWXSSQVSGKL-UHFFFAOYSA-N -1 3 396.871 3.602 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)s1 ZINC001169611323 871705573 /nfs/dbraw/zinc/70/55/73/871705573.db2.gz LCINLKWBCHEFKB-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)s1 ZINC001169611323 871705594 /nfs/dbraw/zinc/70/55/94/871705594.db2.gz LCINLKWBCHEFKB-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1F ZINC001194432218 871714013 /nfs/dbraw/zinc/71/40/13/871714013.db2.gz WTVSBTIPUKINIC-UHFFFAOYSA-N -1 3 378.812 3.532 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc3cccnc32)s1 ZINC000462162896 871719208 /nfs/dbraw/zinc/71/92/08/871719208.db2.gz HUQYCSFAAMXWJA-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM CN(C[C@H]1CCc2ccccc21)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640302032 882541923 /nfs/dbraw/zinc/54/19/23/882541923.db2.gz IDDPREAEVLOCQB-GFCCVEGCSA-N -1 3 386.805 3.714 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1c(F)cccc1Cl ZINC001194585395 871813634 /nfs/dbraw/zinc/81/36/34/871813634.db2.gz HSQWYTHHRNIXPC-QMMMGPOBSA-N -1 3 382.766 3.932 20 0 GHADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000539386110 871876987 /nfs/dbraw/zinc/87/69/87/871876987.db2.gz BDIMPXQYSOGDFZ-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(C)C)c2)cc1F ZINC001194750929 871905713 /nfs/dbraw/zinc/90/57/13/871905713.db2.gz FNNDNGIWGNEATF-LBPRGKRZSA-N -1 3 385.432 3.800 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000766852448 871927548 /nfs/dbraw/zinc/92/75/48/871927548.db2.gz ZHSWSEICACRVPJ-ZJUUUORDSA-N -1 3 395.834 3.563 20 0 GHADHM O=C(Nc1ccc2cnccc2c1Br)c1cnc(C(F)(F)F)[n-]1 ZINC001194783488 871930031 /nfs/dbraw/zinc/93/00/31/871930031.db2.gz OMCOUKMZPJIEBC-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc(O)c3F)ccc2s1 ZINC000526004759 871930366 /nfs/dbraw/zinc/93/03/66/871930366.db2.gz CERMSQTUZMZOQA-UHFFFAOYSA-N -1 3 395.433 3.724 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1Cl ZINC000463523670 871932601 /nfs/dbraw/zinc/93/26/01/871932601.db2.gz OHIYFRMJWUTDPW-UHFFFAOYSA-N -1 3 388.873 3.960 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc3nsnc3cc2C)c(C)c1C ZINC001194864968 871996758 /nfs/dbraw/zinc/99/67/58/871996758.db2.gz VFWBLNYSOGVOKX-UHFFFAOYSA-N -1 3 377.491 3.734 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3ccnc3C)cc2)c(C)c1C ZINC001194864510 871996961 /nfs/dbraw/zinc/99/69/61/871996961.db2.gz OUYQQHVCVJXWFS-UHFFFAOYSA-N -1 3 399.516 3.974 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H]3C[C@@H]32)c(F)cc1Br ZINC001194917473 872031960 /nfs/dbraw/zinc/03/19/60/872031960.db2.gz QJCNONWYGMOZLM-QJPTWQEYSA-N -1 3 376.291 3.611 20 0 GHADHM O=c1cc(CN2CCC[C@@H]2c2cccc3c2OCCO3)c2ccc([O-])cc2o1 ZINC000182210922 872033624 /nfs/dbraw/zinc/03/36/24/872033624.db2.gz OZPCMCGPNZUIGV-GOSISDBHSA-N -1 3 379.412 3.607 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194978734 872080551 /nfs/dbraw/zinc/08/05/51/872080551.db2.gz LAKBDLZRTLPGAU-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCOC2(CCC2)C1 ZINC001194999440 872096692 /nfs/dbraw/zinc/09/66/92/872096692.db2.gz FXARGWYKPCPZAW-GOSISDBHSA-N -1 3 392.546 3.828 20 0 GHADHM COc1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)cc(OC)c1[O-] ZINC000618982061 872209862 /nfs/dbraw/zinc/20/98/62/872209862.db2.gz RWGOLCFROMNZBM-BLVKFPJESA-N -1 3 391.851 3.665 20 0 GHADHM COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000552234849 872281991 /nfs/dbraw/zinc/28/19/91/872281991.db2.gz QXOWYAXQNCFBON-SCLBCKFNSA-N -1 3 393.443 3.584 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cncc(Br)c1Br ZINC001195290517 872316028 /nfs/dbraw/zinc/31/60/28/872316028.db2.gz ODRDOBUAIUNZST-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(O)cc1C ZINC001195337738 872335952 /nfs/dbraw/zinc/33/59/52/872335952.db2.gz DRWHASXIOOAIST-LBPRGKRZSA-N -1 3 377.462 3.802 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(I)c2)c1[O-] ZINC000552286505 872353427 /nfs/dbraw/zinc/35/34/27/872353427.db2.gz RQLUKDQOONPVJE-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sc(-c3ccccn3)nc2C)c1F ZINC000478062682 872404101 /nfs/dbraw/zinc/40/41/01/872404101.db2.gz FEDNAOVGAAZKQM-UHFFFAOYSA-N -1 3 389.383 3.831 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000619185713 872407855 /nfs/dbraw/zinc/40/78/55/872407855.db2.gz WWAQGSISUGQAQV-UHFFFAOYSA-N -1 3 389.455 3.843 20 0 GHADHM O=S(=O)([N-]Cc1cncc2ccccc21)c1cc(Br)ccc1F ZINC001195511127 872462469 /nfs/dbraw/zinc/46/24/69/872462469.db2.gz KMQBFPMATLZMGW-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1nn(CC(F)(F)F)c(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC001195582752 872485820 /nfs/dbraw/zinc/48/58/20/872485820.db2.gz DHRYUIMCVMPLRB-UHFFFAOYSA-N -1 3 392.175 3.783 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC([O-])=NO[C@@H]1CCCCO1 ZINC000775666323 872531015 /nfs/dbraw/zinc/53/10/15/872531015.db2.gz IFUYOGMMIREVPP-MRXNPFEDSA-N -1 3 377.441 3.564 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775666323 872531019 /nfs/dbraw/zinc/53/10/19/872531019.db2.gz IFUYOGMMIREVPP-MRXNPFEDSA-N -1 3 377.441 3.564 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)[n-]1 ZINC000619448341 872635153 /nfs/dbraw/zinc/63/51/53/872635153.db2.gz NFAXXRHLXYHUPK-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c[n-]1 ZINC000619448341 872635158 /nfs/dbraw/zinc/63/51/58/872635158.db2.gz NFAXXRHLXYHUPK-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)[n-]1 ZINC000619447560 872635274 /nfs/dbraw/zinc/63/52/74/872635274.db2.gz GAYNVKBPZVHGND-AWEZNQCLSA-N -1 3 391.427 3.560 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c[n-]1 ZINC000619447560 872635292 /nfs/dbraw/zinc/63/52/92/872635292.db2.gz GAYNVKBPZVHGND-AWEZNQCLSA-N -1 3 391.427 3.560 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1cccc2cccnc21 ZINC000552432535 872639047 /nfs/dbraw/zinc/63/90/47/872639047.db2.gz OZXGOJBVWNZQRB-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM Cn1ncc2c1ncnc2[N-]c1nc(-c2cccc(Br)c2)cs1 ZINC000163093792 872642828 /nfs/dbraw/zinc/64/28/28/872642828.db2.gz VKQDIXMBABPDOI-UHFFFAOYSA-N -1 3 387.266 3.993 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1Br ZINC000775672261 872660587 /nfs/dbraw/zinc/66/05/87/872660587.db2.gz IGNHQZNAYSATNB-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1F ZINC000552488275 872719106 /nfs/dbraw/zinc/71/91/06/872719106.db2.gz YHDIOPNAEFDVMF-UHFFFAOYSA-N -1 3 394.321 3.607 20 0 GHADHM C[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000151251904 872734980 /nfs/dbraw/zinc/73/49/80/872734980.db2.gz ZGTVZGIYTDYEGK-ZDUSSCGKSA-N -1 3 391.880 3.613 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000182755123 872756800 /nfs/dbraw/zinc/75/68/00/872756800.db2.gz DPQVRYXBIYATMD-UHFFFAOYSA-N -1 3 399.278 3.895 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000070731342 872800851 /nfs/dbraw/zinc/80/08/51/872800851.db2.gz JKYBBECEZRSCQH-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000070731342 872800863 /nfs/dbraw/zinc/80/08/63/872800863.db2.gz JKYBBECEZRSCQH-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=S(=O)([N-]Cc1ncccc1Br)c1cccc(Cl)c1Cl ZINC001196010463 872808855 /nfs/dbraw/zinc/80/88/55/872808855.db2.gz AMRSHBPTUAJRCH-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1Cl)c1ccc(Br)cn1 ZINC001196174059 872930242 /nfs/dbraw/zinc/93/02/42/872930242.db2.gz HWDGIQKXEWDZEK-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000151602018 872948002 /nfs/dbraw/zinc/94/80/02/872948002.db2.gz ZNPLJACNWWMSOK-UONOGXRCSA-N -1 3 389.452 3.660 20 0 GHADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)n1 ZINC000767906035 872951844 /nfs/dbraw/zinc/95/18/44/872951844.db2.gz SIMQAMSYLOJIIZ-OAQYLSRUSA-N -1 3 377.488 3.789 20 0 GHADHM O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cccc2n[n-]nc21 ZINC000527356950 873075044 /nfs/dbraw/zinc/07/50/44/873075044.db2.gz FCEUMUHBDJDLLW-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c(=O)[n-]1 ZINC000552716445 873078877 /nfs/dbraw/zinc/07/88/77/873078877.db2.gz QDXBVEHYDPMSAB-UHFFFAOYSA-N -1 3 377.847 3.573 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)nc(C2CC2)[n-]1 ZINC001196414932 873099938 /nfs/dbraw/zinc/09/99/38/873099938.db2.gz WENUOQDRCKUDRM-UHFFFAOYSA-N -1 3 375.837 3.667 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C ZINC001196552560 873206552 /nfs/dbraw/zinc/20/65/52/873206552.db2.gz XJFNGKUXYFTPSD-UHFFFAOYSA-N -1 3 381.295 3.551 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000464120863 873262893 /nfs/dbraw/zinc/26/28/93/873262893.db2.gz VSCLFSZAERHKFM-UHFFFAOYSA-N -1 3 376.460 3.862 20 0 GHADHM Cc1ccc(-n2c(SCc3nc(C)cc(=O)[n-]3)nnc2-c2ccccn2)cc1 ZINC000768401342 873271247 /nfs/dbraw/zinc/27/12/47/873271247.db2.gz BWPJGEUEEBSPCJ-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM Cc1cc(OC(C)C)ccc1C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001196754312 873352644 /nfs/dbraw/zinc/35/26/44/873352644.db2.gz JFZRMUFVLKCVQH-UHFFFAOYSA-N -1 3 378.432 3.578 20 0 GHADHM COCc1nc2scc(-c3ccccc3)c2c(NCc2cnc(C)[n-]c2=O)n1 ZINC000541331089 873380559 /nfs/dbraw/zinc/38/05/59/873380559.db2.gz DHPZUBDCUUGEHL-UHFFFAOYSA-N -1 3 393.472 3.921 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1C ZINC001196886312 873428186 /nfs/dbraw/zinc/42/81/86/873428186.db2.gz RZHFPFKCTFLBEG-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cncc(-c2ccccc2F)c1 ZINC001196867599 873444490 /nfs/dbraw/zinc/44/44/90/873444490.db2.gz JLDHZTMLYWGSOH-UHFFFAOYSA-N -1 3 384.338 3.771 20 0 GHADHM COc1cc(C)c(CN(C)C(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC000527701029 873471542 /nfs/dbraw/zinc/47/15/42/873471542.db2.gz PXJPHXUAIGSZTJ-UHFFFAOYSA-N -1 3 394.265 3.753 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1 ZINC000102748114 873527625 /nfs/dbraw/zinc/52/76/25/873527625.db2.gz XWVOCGQKTNDMTG-UHFFFAOYSA-N -1 3 386.448 3.616 20 0 GHADHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1csc(-c2ncccc2F)n1 ZINC000448537707 873531722 /nfs/dbraw/zinc/53/17/22/873531722.db2.gz JXGDGYHWIRRIED-UHFFFAOYSA-N -1 3 384.367 3.813 20 0 GHADHM COc1ccc(Br)c(F)c1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001197033431 873556682 /nfs/dbraw/zinc/55/66/82/873556682.db2.gz XCMWDTNDEWCSRP-UHFFFAOYSA-N -1 3 382.185 3.757 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)nc1C ZINC001197504401 873874677 /nfs/dbraw/zinc/87/46/77/873874677.db2.gz HAGIJQFEQLXEBF-UHFFFAOYSA-N -1 3 380.684 3.996 20 0 GHADHM O=C(Nc1ccc2[nH]c(CO)nc2c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197722409 874007725 /nfs/dbraw/zinc/00/77/25/874007725.db2.gz CPIOOTIJNAEVLZ-UHFFFAOYSA-N -1 3 389.411 3.592 20 0 GHADHM O=C(Nc1cccc2c1NC(=O)NC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197724812 874009034 /nfs/dbraw/zinc/00/90/34/874009034.db2.gz WQPJUEVDFWDTDP-UHFFFAOYSA-N -1 3 389.411 3.859 20 0 GHADHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cnc(Cl)cn1 ZINC000769475473 874097165 /nfs/dbraw/zinc/09/71/65/874097165.db2.gz SQJHLBPGTXCYRX-UHFFFAOYSA-N -1 3 375.885 3.702 20 0 GHADHM CC(C)c1ccc(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)c([O-])c1 ZINC000769633055 874178262 /nfs/dbraw/zinc/17/82/62/874178262.db2.gz HOUABDNXDSSOIS-UHFFFAOYSA-N -1 3 383.473 3.550 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2F)c(Br)c1 ZINC001198077174 874201119 /nfs/dbraw/zinc/20/11/19/874201119.db2.gz RPAAEVZFZURXCU-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000448925529 874214335 /nfs/dbraw/zinc/21/43/35/874214335.db2.gz PJTDJEADNVKAOD-UHFFFAOYSA-N -1 3 390.842 3.992 20 0 GHADHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000769807612 874299576 /nfs/dbraw/zinc/29/95/76/874299576.db2.gz FEGNUNXXFITIIP-INIZCTEOSA-N -1 3 398.503 3.968 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1cccc(Cl)n1 ZINC001198259230 874318130 /nfs/dbraw/zinc/31/81/30/874318130.db2.gz ABWJGTDNBUDHMG-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000769971727 874382507 /nfs/dbraw/zinc/38/25/07/874382507.db2.gz RSTVWIFUXXIEJX-YJBOKZPZSA-N -1 3 375.490 3.542 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1cccc(C)c1C ZINC000770293804 874582097 /nfs/dbraw/zinc/58/20/97/874582097.db2.gz UANKXKICZPGNNG-HYSAVQALSA-N -1 3 391.464 3.637 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000528451718 874598386 /nfs/dbraw/zinc/59/83/86/874598386.db2.gz MATQMBDHCCMERQ-CQSZACIVSA-N -1 3 395.834 3.742 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1cccc(Br)c1F ZINC000528500639 874638543 /nfs/dbraw/zinc/63/85/43/874638543.db2.gz IVKLAAJNJOLVFZ-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)O1 ZINC000464851797 874639089 /nfs/dbraw/zinc/63/90/89/874639089.db2.gz AXBGJELOHLAXNH-HKUYNNGSSA-N -1 3 388.489 3.692 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)c(F)c2)c(C)c1 ZINC001198939554 874719334 /nfs/dbraw/zinc/71/93/34/874719334.db2.gz JGZNNNNSCCAKCQ-MRXNPFEDSA-N -1 3 395.452 3.501 20 0 GHADHM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc2s1 ZINC001198941922 874720363 /nfs/dbraw/zinc/72/03/63/874720363.db2.gz OKKABODAORDLQY-UHFFFAOYSA-N -1 3 391.470 3.806 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccncc1OCC(F)(F)F ZINC001199134816 874816482 /nfs/dbraw/zinc/81/64/82/874816482.db2.gz LWIYBEKULCEKLC-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM Cc1c(Cl)onc1C(=O)[N-]c1cc([C@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC001199670682 875113786 /nfs/dbraw/zinc/11/37/86/875113786.db2.gz HKGSIHRQRRJIQV-LLVKDONJSA-N -1 3 396.831 3.949 20 0 GHADHM Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CC3)c1 ZINC000449817548 875434735 /nfs/dbraw/zinc/43/47/35/875434735.db2.gz ATOYNEFRUHFJFY-CQSZACIVSA-N -1 3 382.851 3.814 20 0 GHADHM Cc1c(F)ccc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c1F ZINC001201046389 875488434 /nfs/dbraw/zinc/48/84/34/875488434.db2.gz LFYDKCPBERJPIV-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CN(C[C@H]1CC=CCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000542428904 875557359 /nfs/dbraw/zinc/55/73/59/875557359.db2.gz UPRRSILRMYHGEP-LBPRGKRZSA-N -1 3 375.266 3.719 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Cl)c3ncccc23)cc1 ZINC001201216625 875582668 /nfs/dbraw/zinc/58/26/68/875582668.db2.gz RPLZEYZIVQECFI-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM CC(C)(O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)c1ccccc1 ZINC001201282337 875589384 /nfs/dbraw/zinc/58/93/84/875589384.db2.gz CNPCHSSLFLTILT-HNNXBMFYSA-N -1 3 392.279 3.923 20 0 GHADHM Cc1ncc(CNC(=O)c2ccccc2NCc2ccccc2Cl)c(=O)[n-]1 ZINC000542458121 875610303 /nfs/dbraw/zinc/61/03/03/875610303.db2.gz GFFYIXMKSIYAFN-UHFFFAOYSA-N -1 3 382.851 3.686 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000491345956 875621678 /nfs/dbraw/zinc/62/16/78/875621678.db2.gz KCCZGLLLYGUYCD-UHFFFAOYSA-N -1 3 399.439 3.562 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1csc2ccccc12 ZINC000491457642 875740489 /nfs/dbraw/zinc/74/04/89/875740489.db2.gz PTRSYRLWJVGOPB-UHFFFAOYSA-N -1 3 390.468 3.926 20 0 GHADHM CCSc1nnc([N-]C(=O)c2cnn3c2nccc3-c2ccccc2)s1 ZINC000491501717 875747291 /nfs/dbraw/zinc/74/72/91/875747291.db2.gz AGPOWLITVLGGTN-UHFFFAOYSA-N -1 3 382.474 3.612 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCCC2)c1)c1ccc(Oc2ccncc2)cc1 ZINC001201598503 875750810 /nfs/dbraw/zinc/75/08/10/875750810.db2.gz GTYPRBPGYPQFQN-UHFFFAOYSA-N -1 3 396.472 3.670 20 0 GHADHM O=C(CN1CCCCC[C@H]1C[C@H](O)c1cccs1)[N-]OCc1ccccc1 ZINC000772202002 875801312 /nfs/dbraw/zinc/80/13/12/875801312.db2.gz AHGFGMWXJGWNFV-OALUTQOASA-N -1 3 388.533 3.664 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529233291 875887775 /nfs/dbraw/zinc/88/77/75/875887775.db2.gz NLRZWRNBQRVZQB-IEGACIPQSA-N -1 3 396.325 3.947 20 0 GHADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2Cl)c1 ZINC001201857291 875889530 /nfs/dbraw/zinc/88/95/30/875889530.db2.gz BINJIQFRDMGEDO-UHFFFAOYSA-N -1 3 382.869 3.620 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccn1)C1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000921416495 882977567 /nfs/dbraw/zinc/97/75/67/882977567.db2.gz JUSKMMKDKJUZDM-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccn1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000921420199 882980873 /nfs/dbraw/zinc/98/08/73/882980873.db2.gz XMYPADWPGYYBJS-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])Nc1ccc(F)cc1F ZINC001202023518 875967083 /nfs/dbraw/zinc/96/70/83/875967083.db2.gz FDOUNJIUSVGOKN-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=C(CCCC(=O)c1ccc(Br)cc1)[N-]OCCC(F)(F)F ZINC000772615307 876034426 /nfs/dbraw/zinc/03/44/26/876034426.db2.gz PXIJXNZAQYSSGK-UHFFFAOYSA-N -1 3 382.176 3.802 20 0 GHADHM Nc1c(Cl)ccc(Cl)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000785619146 876152884 /nfs/dbraw/zinc/15/28/84/876152884.db2.gz RVPGCAJPWJOTRF-UHFFFAOYSA-N -1 3 380.187 3.688 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000786027932 876396978 /nfs/dbraw/zinc/39/69/78/876396978.db2.gz GEZSRKMGZJHKBF-UHFFFAOYSA-N -1 3 384.722 3.811 20 0 GHADHM COc1ccc(-c2csc(NC(=O)COC(=O)c3cc4occc4[n-]3)n2)cc1 ZINC000786030187 876416616 /nfs/dbraw/zinc/41/66/16/876416616.db2.gz MHDVZFQWBDWFGS-UHFFFAOYSA-N -1 3 397.412 3.689 20 0 GHADHM O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc2occc2[n-]1 ZINC000786030725 876416735 /nfs/dbraw/zinc/41/67/35/876416735.db2.gz XYAIZXUQKHKTAK-UHFFFAOYSA-N -1 3 388.177 3.930 20 0 GHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc(Br)cc1 ZINC000786029997 876416861 /nfs/dbraw/zinc/41/68/61/876416861.db2.gz KSPNZWAOJTXMGK-SECBINFHSA-N -1 3 377.194 3.707 20 0 GHADHM O=C(NC1CC1)[C@@H](OC(=O)c1cc2sccc2c([O-])c1)c1ccc(F)cc1 ZINC000786139960 876470603 /nfs/dbraw/zinc/47/06/03/876470603.db2.gz LNZKKIRSBNNMHJ-SFHVURJKSA-N -1 3 385.416 3.923 20 0 GHADHM COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786135342 876500775 /nfs/dbraw/zinc/50/07/75/876500775.db2.gz AGHBNSNPDLEMJU-ZDUSSCGKSA-N -1 3 399.468 3.992 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786138128 876503669 /nfs/dbraw/zinc/50/36/69/876503669.db2.gz RJFPKWGIQFVVMO-LLVKDONJSA-N -1 3 398.440 3.749 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007099442 876526099 /nfs/dbraw/zinc/52/60/99/876526099.db2.gz CPDODEVHEKOKPL-LJQANCHMSA-N -1 3 385.416 3.655 20 0 GHADHM COc1cc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)CCCC2)ccc1C ZINC001129613343 883038021 /nfs/dbraw/zinc/03/80/21/883038021.db2.gz QOEURTKJJMFLLM-UHFFFAOYSA-N -1 3 395.438 3.773 20 0 GHADHM COc1cc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)CCCC2)ccc1C ZINC001129613343 883038035 /nfs/dbraw/zinc/03/80/35/883038035.db2.gz QOEURTKJJMFLLM-UHFFFAOYSA-N -1 3 395.438 3.773 20 0 GHADHM COc1ccc(C)cc1CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000007121898 876537024 /nfs/dbraw/zinc/53/70/24/876537024.db2.gz FRXOEMTYUCUAHM-LBPRGKRZSA-N -1 3 386.473 3.765 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000173836906 876674882 /nfs/dbraw/zinc/67/48/82/876674882.db2.gz XINRZAPNXAAUQK-SNVBAGLBSA-N -1 3 398.403 3.739 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c2ccccc2n1C ZINC000551019247 883068733 /nfs/dbraw/zinc/06/87/33/883068733.db2.gz BHIDEOMUBQRODV-UHFFFAOYSA-N -1 3 376.865 3.876 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000786723101 876912099 /nfs/dbraw/zinc/91/20/99/876912099.db2.gz FIOQXHXGURIOQI-UHFFFAOYSA-N -1 3 398.356 3.785 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1 ZINC000174328293 876967718 /nfs/dbraw/zinc/96/77/18/876967718.db2.gz FIXVHUVZGNOSKV-HNNXBMFYSA-N -1 3 389.521 3.501 20 0 GHADHM CN(C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000786897764 877016086 /nfs/dbraw/zinc/01/60/86/877016086.db2.gz ZVCDWZUAEUFYNG-INIZCTEOSA-N -1 3 394.487 3.569 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C(C)(C)C1 ZINC000787069824 877127763 /nfs/dbraw/zinc/12/77/63/877127763.db2.gz SIEDOLDFNCOLAE-UHFFFAOYSA-N -1 3 394.487 3.712 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c2ccccc12 ZINC000477219874 877247520 /nfs/dbraw/zinc/24/75/20/877247520.db2.gz HPYJLNCGYIXPSV-UHFFFAOYSA-N -1 3 376.384 3.877 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OCCOC)c1 ZINC000451093688 877361435 /nfs/dbraw/zinc/36/14/35/877361435.db2.gz OJFIBQBOLSMIHR-UHFFFAOYSA-N -1 3 385.869 3.565 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C(N)=O)cc2)cc1 ZINC000175025634 877412639 /nfs/dbraw/zinc/41/26/39/877412639.db2.gz XFKSTHNCBPDCHE-UHFFFAOYSA-N -1 3 382.441 3.687 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000776517087 877416068 /nfs/dbraw/zinc/41/60/68/877416068.db2.gz YNCYVQPRKAWQLV-BBRMVZONSA-N -1 3 395.475 3.509 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000175044019 877428364 /nfs/dbraw/zinc/42/83/64/877428364.db2.gz FBVSIYPNNVYBPH-UHFFFAOYSA-N -1 3 390.465 3.624 20 0 GHADHM CCc1cc(=O)[n-]c(CSCc2ccc(OC)c(OC)c2Br)n1 ZINC000477353143 877475643 /nfs/dbraw/zinc/47/56/43/877475643.db2.gz NMOWXHXBYJJVSQ-UHFFFAOYSA-N -1 3 399.310 3.958 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CCCC2)C1 ZINC000530305605 877502205 /nfs/dbraw/zinc/50/22/05/877502205.db2.gz MRTCSMNGOLXXRK-JOCHJYFZSA-N -1 3 392.499 3.902 20 0 GHADHM O=C(NCC1(Cc2ccccc2)CCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000137351886 877536003 /nfs/dbraw/zinc/53/60/03/877536003.db2.gz UTVVRXXDMBXOTH-FQEVSTJZSA-N -1 3 392.499 3.526 20 0 GHADHM O=C(OC[C@H]1CCC1(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000851310708 877586592 /nfs/dbraw/zinc/58/65/92/877586592.db2.gz AJKHUJHDXVZUDU-CYBMUJFWSA-N -1 3 399.390 3.829 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000615282860 877592681 /nfs/dbraw/zinc/59/26/81/877592681.db2.gz URMWFIMIGAOTJL-WPRPVWTQSA-N -1 3 376.297 3.706 20 0 GHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000451231516 877626692 /nfs/dbraw/zinc/62/66/92/877626692.db2.gz PVOARDFSUXOPDS-HNNXBMFYSA-N -1 3 394.240 3.819 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000787847164 877667796 /nfs/dbraw/zinc/66/77/96/877667796.db2.gz YNKSXXIEGPQRPT-FQEVSTJZSA-N -1 3 389.398 3.556 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848456 877667837 /nfs/dbraw/zinc/66/78/37/877667837.db2.gz OEKLFLXMAPYNBU-UHFFFAOYSA-N -1 3 395.814 3.698 20 0 GHADHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)Nc1ccc(OC(F)F)cc1 ZINC000787847836 877669539 /nfs/dbraw/zinc/66/95/39/877669539.db2.gz HAADYVGFUSWMEK-UHFFFAOYSA-N -1 3 397.349 3.637 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1cc(Br)ccc1Cl ZINC000067949933 877694409 /nfs/dbraw/zinc/69/44/09/877694409.db2.gz MZWORMPNERZFPZ-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000067952296 877696761 /nfs/dbraw/zinc/69/67/61/877696761.db2.gz WPTJWRLVILDNGZ-YXHQGMJNSA-N -1 3 390.361 3.589 20 0 GHADHM C[C@@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1OCCc2sccc21 ZINC000551823740 877863555 /nfs/dbraw/zinc/86/35/55/877863555.db2.gz UQMWABRTSTZFFA-MLCYQJTMSA-N -1 3 389.427 3.727 20 0 GHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)N1CCN(c2ccccc2)CC1 ZINC000788281299 877991286 /nfs/dbraw/zinc/99/12/86/877991286.db2.gz MFZADLDNYJCOHG-MRXNPFEDSA-N -1 3 395.528 3.547 20 0 GHADHM Cc1ccc(-c2csc(CS(=O)(=O)c3nnc(C(C)(C)C)[n-]3)n2)cc1 ZINC000551936994 878068721 /nfs/dbraw/zinc/06/87/21/878068721.db2.gz GELMTCOZPHDDGH-UHFFFAOYSA-N -1 3 376.507 3.508 20 0 GHADHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000537723147 878197774 /nfs/dbraw/zinc/19/77/74/878197774.db2.gz CKTAHMVBVZGZGN-OAHLLOKOSA-N -1 3 392.430 3.806 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCSc2ccc(OC)cc2)c([O-])c1 ZINC000537769491 878270808 /nfs/dbraw/zinc/27/08/08/878270808.db2.gz WOTBHFZJARVJSB-UHFFFAOYSA-N -1 3 375.446 3.698 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](c3cnn(C)c3)C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000530729063 878358027 /nfs/dbraw/zinc/35/80/27/878358027.db2.gz QTVHAXVZZXVCRN-LJQANCHMSA-N -1 3 394.479 3.800 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000537839213 878368380 /nfs/dbraw/zinc/36/83/80/878368380.db2.gz ANVWAJMSYZGMAH-UHFFFAOYSA-N -1 3 399.406 3.816 20 0 GHADHM O=C([N-]c1nc2c(s1)CC1(CCOCC1)CC2)c1ncoc1C(F)(F)F ZINC000615983087 878377226 /nfs/dbraw/zinc/37/72/26/878377226.db2.gz UYNCASMAZRUEOO-UHFFFAOYSA-N -1 3 387.383 3.688 20 0 GHADHM CCc1cccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1[O-] ZINC000530719731 878382625 /nfs/dbraw/zinc/38/26/25/878382625.db2.gz YSYDYGOFPAOXJL-UHFFFAOYSA-N -1 3 379.359 3.557 20 0 GHADHM CCc1cc2c(CN[C@@H](CC)c3nnc4n3CCCCC4)cc(=O)oc2cc1[O-] ZINC000852628123 878478564 /nfs/dbraw/zinc/47/85/64/878478564.db2.gz KXNRGSAGSHIOOI-KRWDZBQOSA-N -1 3 396.491 3.620 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cccc(Br)c1Cl ZINC000451830895 878540068 /nfs/dbraw/zinc/54/00/68/878540068.db2.gz YVXXMFWZSGFNMA-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM CCc1cc2c(CN3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000852740449 878569964 /nfs/dbraw/zinc/56/99/64/878569964.db2.gz BOQDEDGLKOTCCR-SMDDNHRTSA-N -1 3 385.382 3.603 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000177180985 878587919 /nfs/dbraw/zinc/58/79/19/878587919.db2.gz GCDJWXGZUPBRNA-UHFFFAOYSA-N -1 3 394.456 3.572 20 0 GHADHM CC[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)Oc1ccccc1Cl ZINC000177381925 878680838 /nfs/dbraw/zinc/68/08/38/878680838.db2.gz NEKUPAAENJLGKK-ZDUSSCGKSA-N -1 3 391.899 3.617 20 0 GHADHM O=c1[n-]c(SCCC2SCCS2)nc2c1cnn2Cc1ccccc1 ZINC000853022449 878756547 /nfs/dbraw/zinc/75/65/47/878756547.db2.gz OMMJWYFHIKPCSW-UHFFFAOYSA-N -1 3 390.559 3.869 20 0 GHADHM CCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)o1 ZINC000451955499 878766306 /nfs/dbraw/zinc/76/63/06/878766306.db2.gz DWDVXXYFVUGGKR-UHFFFAOYSA-N -1 3 384.885 3.548 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)o1 ZINC000451958310 878766907 /nfs/dbraw/zinc/76/69/07/878766907.db2.gz LJAIENFVWCMRQN-UHFFFAOYSA-N -1 3 398.912 3.938 20 0 GHADHM Cc1c(CC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)sc2ccccc12 ZINC001183243460 912383364 /nfs/dbraw/zinc/38/33/64/912383364.db2.gz PXCDOWQVCJAQFC-UHFFFAOYSA-N -1 3 390.468 3.934 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1[O-] ZINC000530955258 878839263 /nfs/dbraw/zinc/83/92/63/878839263.db2.gz YTCBQVQVPZDHNY-UHFFFAOYSA-N -1 3 375.490 3.920 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000461006608 878988986 /nfs/dbraw/zinc/98/89/86/878988986.db2.gz WJXLFOJOVKYWOA-BZNIZROVSA-N -1 3 398.406 3.775 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOc2ccc(F)cc21 ZINC000178106333 879003521 /nfs/dbraw/zinc/00/35/21/879003521.db2.gz YIYDXCDTXXYAJK-AWEZNQCLSA-N -1 3 395.228 3.617 20 0 GHADHM Cc1nc(NC(=O)[C@H](c2ccc(Br)cc2)C2CCC2)cc(=O)[n-]1 ZINC001183314637 912418222 /nfs/dbraw/zinc/41/82/22/912418222.db2.gz JZJNRFBUCLAPGU-INIZCTEOSA-N -1 3 376.254 3.776 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnc2ccccc2c1C(F)(F)F ZINC000616826528 879130938 /nfs/dbraw/zinc/13/09/38/879130938.db2.gz OMFCMVLPKHAWGI-CQSZACIVSA-N -1 3 376.338 3.502 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000616826401 879132812 /nfs/dbraw/zinc/13/28/12/879132812.db2.gz NCCNYFOMZNBIMS-KEYYUXOJSA-N -1 3 394.500 3.981 20 0 GHADHM CCOc1ccc(-c2csc(NC(=O)c3nnc4ccccc4c3[O-])n2)cc1 ZINC000111569529 879275728 /nfs/dbraw/zinc/27/57/28/879275728.db2.gz FQOLQRICSZRBIQ-UHFFFAOYSA-N -1 3 392.440 3.698 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc(-c2ccccc2)cs1 ZINC000111616244 879303299 /nfs/dbraw/zinc/30/32/99/879303299.db2.gz XVYOQVNSMGLBND-LBPRGKRZSA-N -1 3 376.441 3.538 20 0 GHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000493283318 879364410 /nfs/dbraw/zinc/36/44/10/879364410.db2.gz VRPLOWARTCHUMI-UHFFFAOYSA-N -1 3 391.237 3.594 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)c1 ZINC000461222964 879420046 /nfs/dbraw/zinc/42/00/46/879420046.db2.gz WGJIMHMVYFCZSU-UHFFFAOYSA-N -1 3 383.473 3.883 20 0 GHADHM CCOC(=O)N(C)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000746882791 879483105 /nfs/dbraw/zinc/48/31/05/879483105.db2.gz NNKXTFOXCWQELP-UHFFFAOYSA-N -1 3 398.459 3.877 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000007121760 879487372 /nfs/dbraw/zinc/48/73/72/879487372.db2.gz OLRAAVKGYSHGDR-UHFFFAOYSA-N -1 3 382.413 3.650 20 0 GHADHM CN(Cc1cccc(C(N)=O)c1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746885473 879501629 /nfs/dbraw/zinc/50/16/29/879501629.db2.gz ZBVVTMSCNZRACJ-UHFFFAOYSA-N -1 3 376.412 3.556 20 0 GHADHM CC(C)c1noc(CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)n1 ZINC000531275229 879504055 /nfs/dbraw/zinc/50/40/55/879504055.db2.gz IOMVLSVKJCDACS-UHFFFAOYSA-N -1 3 394.262 3.883 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cccc(Cl)c1Br ZINC000493889699 879703539 /nfs/dbraw/zinc/70/35/39/879703539.db2.gz XMHSSQGNHGFGCA-DIOULYMOSA-N -1 3 398.709 3.719 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000493890451 879705345 /nfs/dbraw/zinc/70/53/45/879705345.db2.gz DQHZPEYOPYLZLD-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCN1Cc1ccccc1 ZINC000531394122 879731113 /nfs/dbraw/zinc/73/11/13/879731113.db2.gz WZHLTMUMDBUTFC-MRXNPFEDSA-N -1 3 375.266 3.758 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2)cc1F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000493978350 879763080 /nfs/dbraw/zinc/76/30/80/879763080.db2.gz RVKYKYWLZDYVEZ-UHFFFAOYSA-N -1 3 389.386 3.698 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493953062 879769345 /nfs/dbraw/zinc/76/93/45/879769345.db2.gz QLJRAVNMFWPPJJ-ZYHUDNBSSA-N -1 3 396.734 3.584 20 0 GHADHM CN1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H]1Cc1ccccc1 ZINC001183415490 912501965 /nfs/dbraw/zinc/50/19/65/912501965.db2.gz MZRVASYPEZVLAI-KRWDZBQOSA-N -1 3 395.890 3.593 20 0 GHADHM O=C(NCC[C@H]1CCCC1(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000914419196 879871341 /nfs/dbraw/zinc/87/13/41/879871341.db2.gz JIOFTKZUBWHRHM-SNVBAGLBSA-N -1 3 399.235 3.846 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Br)cn1 ZINC000477775512 879873915 /nfs/dbraw/zinc/87/39/15/879873915.db2.gz TXACRWGVLMGSEB-NSHDSACASA-N -1 3 381.245 3.889 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(OC)c(Cl)c3)nc21 ZINC000494073578 879895236 /nfs/dbraw/zinc/89/52/36/879895236.db2.gz RMXAUUSNCMLRSJ-UHFFFAOYSA-N -1 3 387.823 3.583 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC000494128222 879955836 /nfs/dbraw/zinc/95/58/36/879955836.db2.gz VXPZLJCVIBMNKQ-UHFFFAOYSA-N -1 3 379.416 3.514 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(-c2ccccc2Cl)nn1 ZINC000531492689 879964197 /nfs/dbraw/zinc/96/41/97/879964197.db2.gz NUERBNBXJWXXPH-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000452761039 879996866 /nfs/dbraw/zinc/99/68/66/879996866.db2.gz XDYAWTRXLQPWFD-UHFFFAOYSA-N -1 3 395.253 3.837 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCc1ccccc1Cl ZINC000112676180 880069425 /nfs/dbraw/zinc/06/94/25/880069425.db2.gz PZTMEBRMFILUHY-HNNXBMFYSA-N -1 3 396.874 3.788 20 0 GHADHM Cc1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)o1 ZINC000183309349 880088035 /nfs/dbraw/zinc/08/80/35/880088035.db2.gz ZYSCNGNFBVPDKV-UHFFFAOYSA-N -1 3 399.472 3.512 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N2CCCC2)cc1 ZINC000183512392 880118022 /nfs/dbraw/zinc/11/80/22/880118022.db2.gz STTRIIKBFLDTKM-INIZCTEOSA-N -1 3 378.394 3.685 20 0 GHADHM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000531582607 880157977 /nfs/dbraw/zinc/15/79/77/880157977.db2.gz RPDQAJCBZDTETP-UHFFFAOYSA-N -1 3 395.322 3.859 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](CC(=O)OC(C)(C)C)C3)nc2)n1 ZINC000531600897 880201697 /nfs/dbraw/zinc/20/16/97/880201697.db2.gz AZSDXPXYIWWOAF-HNNXBMFYSA-N -1 3 398.507 3.755 20 0 GHADHM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc2sccc2c([O-])c1 ZINC000791338513 880340990 /nfs/dbraw/zinc/34/09/90/880340990.db2.gz ZEKUUQRWQTYVMB-KRWDZBQOSA-N -1 3 380.469 3.700 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(Br)c3C)nc21 ZINC000185302210 880536180 /nfs/dbraw/zinc/53/61/80/880536180.db2.gz QVZANAMIKQZTFU-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185695697 880663559 /nfs/dbraw/zinc/66/35/59/880663559.db2.gz ZOCPYCZMLYUXQC-UHFFFAOYSA-N -1 3 383.835 3.635 20 0 GHADHM COC1(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CCCCC1 ZINC000453244721 880675698 /nfs/dbraw/zinc/67/56/98/880675698.db2.gz FFOCDOOZLTYMNF-LBPRGKRZSA-N -1 3 399.900 3.568 20 0 GHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1c(Cl)cccc1Cl ZINC000186178171 880812913 /nfs/dbraw/zinc/81/29/13/880812913.db2.gz XGZQFHVGLOGTOD-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186290048 880844005 /nfs/dbraw/zinc/84/40/05/880844005.db2.gz OPOIUZFNIAINOK-ZDUSSCGKSA-N -1 3 397.372 3.628 20 0 GHADHM CC(=O)c1ccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c(F)c1 ZINC000792032719 880868086 /nfs/dbraw/zinc/86/80/86/880868086.db2.gz GGJQJZXMSNRNFZ-UHFFFAOYSA-N -1 3 392.430 3.850 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1OCC(=O)NC ZINC000792066715 880878303 /nfs/dbraw/zinc/87/83/03/880878303.db2.gz QQZWYYUZJFQOSE-LJQANCHMSA-N -1 3 392.455 3.551 20 0 GHADHM O=C(CC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)NC1CCCC1 ZINC000792086269 880917395 /nfs/dbraw/zinc/91/73/95/880917395.db2.gz TUYKLVVATYICET-UHFFFAOYSA-N -1 3 380.488 3.847 20 0 GHADHM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)C(F)(F)C1CCOCC1 ZINC000792360229 881054870 /nfs/dbraw/zinc/05/48/70/881054870.db2.gz PYYNJVAUIGMVAI-UHFFFAOYSA-N -1 3 388.317 3.943 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000119766021 881142269 /nfs/dbraw/zinc/14/22/69/881142269.db2.gz HWXJBVIXXWIBRY-AWEZNQCLSA-N -1 3 399.882 3.828 20 0 GHADHM CC[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(OC)cc1 ZINC000640291826 881150736 /nfs/dbraw/zinc/15/07/36/881150736.db2.gz DIBKSQNTKLYKRT-ZDUSSCGKSA-N -1 3 390.793 3.802 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291860 881161283 /nfs/dbraw/zinc/16/12/83/881161283.db2.gz FWBHHEOCZILTLI-ZDUSSCGKSA-N -1 3 389.809 3.921 20 0 GHADHM CN(C(=O)c1cccc(Br)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000532149504 881244923 /nfs/dbraw/zinc/24/49/23/881244923.db2.gz NRJQXUABTJZMGV-HNNXBMFYSA-N -1 3 389.293 3.501 20 0 GHADHM Cc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nc(C(F)(F)F)n1 ZINC000188896970 881334700 /nfs/dbraw/zinc/33/47/00/881334700.db2.gz OKIQJTQMQZNDIZ-SNAWJCMRSA-N -1 3 381.339 3.671 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)s1 ZINC000532166607 881336971 /nfs/dbraw/zinc/33/69/71/881336971.db2.gz FGDCYJJHWMSDQO-LBPRGKRZSA-N -1 3 388.308 3.539 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Br)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757352 883157493 /nfs/dbraw/zinc/15/74/93/883157493.db2.gz DNWQCXCBQULKTL-UHFFFAOYSA-N -1 3 396.672 3.658 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000153171761 883193086 /nfs/dbraw/zinc/19/30/86/883193086.db2.gz CLAOJCWLCIKWER-IRXDYDNUSA-N -1 3 398.425 3.682 20 0 GHADHM COc1ccc2c(c1)CCC[C@]2(NCc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC000551071041 883230910 /nfs/dbraw/zinc/23/09/10/883230910.db2.gz GTLPBMWDGPYEDE-OAQYLSRUSA-N -1 3 387.863 3.690 20 0 GHADHM CCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C(F)(F)F)c1 ZINC000064372529 883235964 /nfs/dbraw/zinc/23/59/64/883235964.db2.gz QCXDGYXHACETSX-GXDHUFHOSA-N -1 3 376.334 3.827 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000123216918 883243326 /nfs/dbraw/zinc/24/33/26/883243326.db2.gz LDFGBWHKYOEBGX-HXUWFJFHSA-N -1 3 399.853 3.628 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(N2CCCCCC2)c1)c1cc(Cl)ccc1F ZINC000551147537 883359571 /nfs/dbraw/zinc/35/95/71/883359571.db2.gz WNOCHZKELHTQNQ-UHFFFAOYSA-N -1 3 397.903 3.733 20 0 GHADHM CCCCCNC(=O)Cc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000055491171 883392488 /nfs/dbraw/zinc/39/24/88/883392488.db2.gz DJUOLELNEHERSG-UHFFFAOYSA-N -1 3 375.519 3.870 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805056652 883565073 /nfs/dbraw/zinc/56/50/73/883565073.db2.gz FFZGSIHTOMKXAJ-YMTOWFKASA-N -1 3 393.267 3.582 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2cn(C3CCCC3)nc21)c1cnc(Cl)c(F)c1 ZINC000805058153 883567525 /nfs/dbraw/zinc/56/75/25/883567525.db2.gz OPXSCDYQKYXGFG-OAHLLOKOSA-N -1 3 398.891 3.542 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286394734 912726474 /nfs/dbraw/zinc/72/64/74/912726474.db2.gz LEMUOQXCAZKYHU-LPMFXHHGSA-N -1 3 399.491 3.704 20 0 GHADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914488952 883672540 /nfs/dbraw/zinc/67/25/40/883672540.db2.gz HSWURKNLKFZMIZ-WBVHZDCISA-N -1 3 396.528 3.601 20 0 GHADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)o2)cs1 ZINC000477149996 883804636 /nfs/dbraw/zinc/80/46/36/883804636.db2.gz LYTLQJZXBJXVKF-UHFFFAOYSA-N -1 3 386.857 3.983 20 0 GHADHM C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476125365 883996045 /nfs/dbraw/zinc/99/60/45/883996045.db2.gz AFHRDBYYYJMMCB-TZMCWYRMSA-N -1 3 392.377 3.959 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)c(=O)[n-]1 ZINC000760368377 884008501 /nfs/dbraw/zinc/00/85/01/884008501.db2.gz XBDITONZABLUQP-ZDUSSCGKSA-N -1 3 383.231 3.715 20 0 GHADHM CCCNC(=O)OC[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000805776045 884059345 /nfs/dbraw/zinc/05/93/45/884059345.db2.gz LQRJXDFSDSXKAD-CQSZACIVSA-N -1 3 398.463 3.572 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)o1 ZINC000859785037 884060753 /nfs/dbraw/zinc/06/07/53/884060753.db2.gz NHHXSDCSDJLMSD-GOSISDBHSA-N -1 3 385.460 3.805 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3ccc(Cl)nc3)cc2)cc(=O)[n-]1 ZINC000760477549 884143501 /nfs/dbraw/zinc/14/35/01/884143501.db2.gz ALFHIINYRROPJX-UHFFFAOYSA-N -1 3 383.839 3.570 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000476164769 884180800 /nfs/dbraw/zinc/18/08/00/884180800.db2.gz QTGDAYGNJJHWCH-AWEZNQCLSA-N -1 3 396.390 3.565 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000747294222 884282589 /nfs/dbraw/zinc/28/25/89/884282589.db2.gz DFGHXDGBEVNSFA-UHFFFAOYSA-N -1 3 390.424 3.816 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1F ZINC000729836473 884297510 /nfs/dbraw/zinc/29/75/10/884297510.db2.gz NYZMRWQKNBBQFT-GASCZTMLSA-N -1 3 378.469 3.549 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000914603474 884297458 /nfs/dbraw/zinc/29/74/58/884297458.db2.gz OQMDXJYRKRAKIK-UHFFFAOYSA-N -1 3 378.469 3.772 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nn(C)c4ccccc34)nc(=O)c2c1C ZINC000860131753 884351776 /nfs/dbraw/zinc/35/17/76/884351776.db2.gz YUQAQAFREMLKKC-JTQLQIEISA-N -1 3 382.445 3.818 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(Nc2ncccn2)c1 ZINC000642323527 884527263 /nfs/dbraw/zinc/52/72/63/884527263.db2.gz RAOAELIBGBNUMJ-UHFFFAOYSA-N -1 3 385.221 3.941 20 0 GHADHM CCCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C ZINC000914726359 884619437 /nfs/dbraw/zinc/61/94/37/884619437.db2.gz GKEQYXZPBIBWBR-UHFFFAOYSA-N -1 3 386.533 3.943 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)oc21 ZINC000898218049 884635900 /nfs/dbraw/zinc/63/59/00/884635900.db2.gz XKVBTFRQAMCPGK-SNVBAGLBSA-N -1 3 390.237 3.562 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263364791 884728410 /nfs/dbraw/zinc/72/84/10/884728410.db2.gz SVWXJACWBINTMN-BRWVUGGUSA-N -1 3 382.460 3.849 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000475829456 884771776 /nfs/dbraw/zinc/77/17/76/884771776.db2.gz ICGCVCREDMPLIA-UHFFFAOYSA-N -1 3 397.880 3.762 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000919061887 884831123 /nfs/dbraw/zinc/83/11/23/884831123.db2.gz VDGCEIVNAWLHSS-CYBMUJFWSA-N -1 3 393.399 3.792 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000919061887 884831137 /nfs/dbraw/zinc/83/11/37/884831137.db2.gz VDGCEIVNAWLHSS-CYBMUJFWSA-N -1 3 393.399 3.792 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000919061883 884831197 /nfs/dbraw/zinc/83/11/97/884831197.db2.gz VCDXTKLQRPFPDW-ZDUSSCGKSA-N -1 3 385.395 3.575 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000919061883 884831213 /nfs/dbraw/zinc/83/12/13/884831213.db2.gz VCDXTKLQRPFPDW-ZDUSSCGKSA-N -1 3 385.395 3.575 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3ccccc3c(=O)n2C2CCCCC2)n1 ZINC000761862572 884892751 /nfs/dbraw/zinc/89/27/51/884892751.db2.gz YMZSXNSYUNXOHG-UHFFFAOYSA-N -1 3 382.489 3.998 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ncnc2sc(C)cc21 ZINC001151364925 912875389 /nfs/dbraw/zinc/87/53/89/912875389.db2.gz OZHJACNNRPSQTN-UHFFFAOYSA-N -1 3 380.429 3.910 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1Cl ZINC000106301152 885030528 /nfs/dbraw/zinc/03/05/28/885030528.db2.gz IWVFMCKTGMBUFD-CQSZACIVSA-N -1 3 391.295 3.714 20 0 GHADHM CN(C)c1ccc(C2CCN(Cn3[n-]c(-c4ccccn4)nc3=S)CC2)cc1 ZINC000774695157 912898380 /nfs/dbraw/zinc/89/83/80/912898380.db2.gz SDKOBDQQCGMLJI-UHFFFAOYSA-N -1 3 394.548 3.906 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000666478505 885167880 /nfs/dbraw/zinc/16/78/80/885167880.db2.gz ZKOMAALQMKSSDY-LBPRGKRZSA-N -1 3 385.489 3.889 20 0 GHADHM Cc1cc(C)n2nc(C(=O)[N-]c3c(F)cccc3Oc3ccccc3)nc2n1 ZINC000107166671 885251437 /nfs/dbraw/zinc/25/14/37/885251437.db2.gz XWQYDGCPYQSYQH-UHFFFAOYSA-N -1 3 377.379 3.925 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccc(C)c(C)c3)n[n-]2)o1 ZINC000919324896 885333505 /nfs/dbraw/zinc/33/35/05/885333505.db2.gz JAAHPMYUPHHKEV-OAHLLOKOSA-N -1 3 381.432 3.629 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccc(C)c(C)c3)[n-]n2)o1 ZINC000919324896 885333521 /nfs/dbraw/zinc/33/35/21/885333521.db2.gz JAAHPMYUPHHKEV-OAHLLOKOSA-N -1 3 381.432 3.629 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)N3CCCCC3)c3ccccc3)n[n-]2)o1 ZINC000919325041 885334983 /nfs/dbraw/zinc/33/49/83/885334983.db2.gz KWVBPSCCMPWWNC-HXUWFJFHSA-N -1 3 393.443 3.889 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)N3CCCCC3)c3ccccc3)[n-]n2)o1 ZINC000919325041 885335006 /nfs/dbraw/zinc/33/50/06/885335006.db2.gz KWVBPSCCMPWWNC-HXUWFJFHSA-N -1 3 393.443 3.889 20 0 GHADHM Cc1cnccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000107292245 885335443 /nfs/dbraw/zinc/33/54/43/885335443.db2.gz FMKZUEZUBFRQQV-UHFFFAOYSA-N -1 3 399.447 3.511 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCC[C@H]3c3cccs3)n[n-]2)o1 ZINC000919326676 885335843 /nfs/dbraw/zinc/33/58/43/885335843.db2.gz AYNKEXMBLSBJCH-CJNGLKHVSA-N -1 3 399.472 3.949 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCC[C@H]3c3cccs3)[n-]n2)o1 ZINC000919326676 885335868 /nfs/dbraw/zinc/33/58/68/885335868.db2.gz AYNKEXMBLSBJCH-CJNGLKHVSA-N -1 3 399.472 3.949 20 0 GHADHM COc1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)cc2c1OCCO2 ZINC000666586180 885377653 /nfs/dbraw/zinc/37/76/53/885377653.db2.gz MJTABRNCLFFISF-UHFFFAOYSA-N -1 3 383.444 3.544 20 0 GHADHM CN1CC[C@H](CNC(=O)c2c([O-])cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000130960209 885381643 /nfs/dbraw/zinc/38/16/43/885381643.db2.gz MRKRKEVASPIOJI-XIKOKIGWSA-N -1 3 380.822 3.747 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)CCC2 ZINC000104634094 885505162 /nfs/dbraw/zinc/50/51/62/885505162.db2.gz RDXAFTRMVRVWDH-UHFFFAOYSA-N -1 3 398.406 3.818 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)cc1Cl ZINC000104731904 885591952 /nfs/dbraw/zinc/59/19/52/885591952.db2.gz ZQOUYICXCLJZOR-UHFFFAOYSA-N -1 3 391.251 3.569 20 0 GHADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)s1 ZINC001131036494 885657919 /nfs/dbraw/zinc/65/79/19/885657919.db2.gz YNNJAUHXVZAFLW-UHFFFAOYSA-N -1 3 399.284 3.925 20 0 GHADHM C[C@H]1COCCN1c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000861766963 885838609 /nfs/dbraw/zinc/83/86/09/885838609.db2.gz KYATVHOWIAXBND-LBPRGKRZSA-N -1 3 391.265 3.632 20 0 GHADHM CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000861796357 885868524 /nfs/dbraw/zinc/86/85/24/885868524.db2.gz DPULYXTWNWDKHK-QGZVFWFLSA-N -1 3 396.447 3.548 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1nccnc1-c1nc2ccccc2s1 ZINC000532521165 885920088 /nfs/dbraw/zinc/92/00/88/885920088.db2.gz UEWJNHFEZAVPLW-UHFFFAOYSA-N -1 3 398.451 3.818 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000808126705 886003034 /nfs/dbraw/zinc/00/30/34/886003034.db2.gz VUKKXHQABOOMCT-UHFFFAOYSA-N -1 3 399.428 3.853 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(SC(C)(C)C)cc2)no1 ZINC000762346860 886054302 /nfs/dbraw/zinc/05/43/02/886054302.db2.gz MHLYGCLHUPYUMF-UHFFFAOYSA-N -1 3 383.539 3.847 20 0 GHADHM CCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000131435019 886072408 /nfs/dbraw/zinc/07/24/08/886072408.db2.gz LECNHMHRWTZDDD-UHFFFAOYSA-N -1 3 377.238 3.547 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)c1[O-] ZINC000808187478 886081706 /nfs/dbraw/zinc/08/17/06/886081706.db2.gz FJWZOKOPHPFUTM-UHFFFAOYSA-N -1 3 389.411 3.803 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000055687791 886110584 /nfs/dbraw/zinc/11/05/84/886110584.db2.gz WIAXFWVPVKDSRT-UHFFFAOYSA-N -1 3 388.489 3.711 20 0 GHADHM O=C(C=Cc1ccc(-c2ccccc2Cl)s1)NCCCc1cc(=O)[nH][n-]1 ZINC000808257537 886171945 /nfs/dbraw/zinc/17/19/45/886171945.db2.gz FCRSGAHPVARTOF-NTMALXAHSA-N -1 3 387.892 3.854 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000808339535 886274441 /nfs/dbraw/zinc/27/44/41/886274441.db2.gz UPAGSBJCIXPVLH-ZUZCIYMTSA-N -1 3 393.814 3.759 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000919747793 886275841 /nfs/dbraw/zinc/27/58/41/886275841.db2.gz SHPRLMUMPUYRFQ-HNNXBMFYSA-N -1 3 394.244 3.736 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000777254752 886312164 /nfs/dbraw/zinc/31/21/64/886312164.db2.gz LPMCFPRJKVZFCS-KFWWJZLASA-N -1 3 393.413 3.691 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000777254753 886313076 /nfs/dbraw/zinc/31/30/76/886313076.db2.gz LPMCFPRJKVZFCS-RBSFLKMASA-N -1 3 393.413 3.691 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762530337 886349984 /nfs/dbraw/zinc/34/99/84/886349984.db2.gz SQHHISUEBCHOMT-YUELXQCFSA-N -1 3 387.523 3.538 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000862442348 886385532 /nfs/dbraw/zinc/38/55/32/886385532.db2.gz YWJNMONVSBQSDN-AWEZNQCLSA-N -1 3 375.419 3.912 20 0 GHADHM O=c1[n-]c(SCc2nc3cc(F)ccc3o2)nc2c1cnn2-c1ccccc1 ZINC000119156409 886443342 /nfs/dbraw/zinc/44/33/42/886443342.db2.gz XYBPPNOQIZUFAE-UHFFFAOYSA-N -1 3 393.403 3.681 20 0 GHADHM O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000119197789 886472632 /nfs/dbraw/zinc/47/26/32/886472632.db2.gz YXZYUCDCKBPQNO-AWEZNQCLSA-N -1 3 396.756 3.702 20 0 GHADHM O=S(=O)([N-]CCCOc1ccccc1F)c1c(Cl)cccc1Cl ZINC000032442792 886490095 /nfs/dbraw/zinc/49/00/95/886490095.db2.gz NGBHNWNPFAKWAB-UHFFFAOYSA-N -1 3 378.252 3.880 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000057200303 886499461 /nfs/dbraw/zinc/49/94/61/886499461.db2.gz BUIQAKQSJPJGRT-HNNXBMFYSA-N -1 3 388.489 3.515 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H](CCCc3ccccc3)C1)c2[O-] ZINC000119414236 886669746 /nfs/dbraw/zinc/66/97/46/886669746.db2.gz OIRLEDXKEPKGGE-QGZVFWFLSA-N -1 3 378.476 3.549 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C(=O)Nc3ccccc3F)C(C)C)n[n-]c21 ZINC000808672789 886669876 /nfs/dbraw/zinc/66/98/76/886669876.db2.gz FXJPLLBGOKIILZ-SFHVURJKSA-N -1 3 385.395 3.531 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C(=O)Nc3ccccc3F)C(C)C)[n-]nc21 ZINC000808672789 886669885 /nfs/dbraw/zinc/66/98/85/886669885.db2.gz FXJPLLBGOKIILZ-SFHVURJKSA-N -1 3 385.395 3.531 20 0 GHADHM O=C([N-]c1ccnc(F)c1F)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001131428388 886706026 /nfs/dbraw/zinc/70/60/26/886706026.db2.gz AJPDQKHTWFOZTG-UHFFFAOYSA-N -1 3 383.383 3.921 20 0 GHADHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1OC ZINC000132265731 886766857 /nfs/dbraw/zinc/76/68/57/886766857.db2.gz VACFKCYUJPBWFL-VIFPVBQESA-N -1 3 391.823 3.675 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000862954442 886781036 /nfs/dbraw/zinc/78/10/36/886781036.db2.gz WNBGYLSTCLVZMY-UHFFFAOYSA-N -1 3 379.382 3.831 20 0 GHADHM CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000670202038 886850502 /nfs/dbraw/zinc/85/05/02/886850502.db2.gz WURLPSUKQCDTAQ-UHFFFAOYSA-N -1 3 378.831 3.737 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cc(-c4ccccc4)on3)cc2)n1 ZINC000119344031 886930698 /nfs/dbraw/zinc/93/06/98/886930698.db2.gz OMHDPLZAJNYXRC-UHFFFAOYSA-N -1 3 386.411 3.582 20 0 GHADHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cccc([O-])c1Br ZINC000459285875 887034900 /nfs/dbraw/zinc/03/49/00/887034900.db2.gz GTUVRVOEOUHVLG-UHFFFAOYSA-N -1 3 393.281 3.624 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 ZINC000863579140 887219060 /nfs/dbraw/zinc/21/90/60/887219060.db2.gz GQRMVSVZTRWNHG-QZTJIDSGSA-N -1 3 390.277 3.665 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c(C)c1 ZINC000459314531 887285967 /nfs/dbraw/zinc/28/59/67/887285967.db2.gz ZUTSJXBBGFPYNR-UHFFFAOYSA-N -1 3 390.487 3.845 20 0 GHADHM CCCCNC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000171250608 887369986 /nfs/dbraw/zinc/36/99/86/887369986.db2.gz YCYPMLZVBAUNRX-UHFFFAOYSA-N -1 3 394.515 3.752 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000863887172 887430322 /nfs/dbraw/zinc/43/03/22/887430322.db2.gz VRMOSEGWSDSMRG-HUUCEWRRSA-N -1 3 388.851 3.619 20 0 GHADHM CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc([O-])c1Br ZINC000459341648 887505783 /nfs/dbraw/zinc/50/57/83/887505783.db2.gz QDEKACYBXVBSAN-UHFFFAOYSA-N -1 3 391.309 3.879 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C(C)C)C3(CO)CCCC3)cc2)cc(=O)[n-]1 ZINC000459348551 887542220 /nfs/dbraw/zinc/54/22/20/887542220.db2.gz DOVCVSXLUARSTA-HXUWFJFHSA-N -1 3 398.507 3.856 20 0 GHADHM [O-]c1cccc(CNc2ccccc2CN2CCOCC2)c1Br ZINC000459347787 887557391 /nfs/dbraw/zinc/55/73/91/887557391.db2.gz LFBKDFRFFIVUDV-UHFFFAOYSA-N -1 3 377.282 3.599 20 0 GHADHM [O-]c1cccc(CNc2ccc(CCN3CCOCC3)cc2)c1Br ZINC000459352513 887572213 /nfs/dbraw/zinc/57/22/13/887572213.db2.gz YAOYYUQFBIBDET-UHFFFAOYSA-N -1 3 391.309 3.642 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N4CCSCC4)cc3)c[n-]c12 ZINC000153742333 887593728 /nfs/dbraw/zinc/59/37/28/887593728.db2.gz UVMMUFYQPMRYHJ-UHFFFAOYSA-N -1 3 397.475 3.781 20 0 GHADHM CCC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCC1 ZINC000459361773 887650747 /nfs/dbraw/zinc/65/07/47/887650747.db2.gz WDWQUJXLSPYZBH-OAHLLOKOSA-N -1 3 383.514 3.547 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC000864280609 887668524 /nfs/dbraw/zinc/66/85/24/887668524.db2.gz YBVCJPXKCYBQGK-UHFFFAOYSA-N -1 3 377.466 3.512 20 0 GHADHM COc1cc2c(cc1CNCc1cccc([O-])c1Br)O[C@@H](C)C2 ZINC000459368099 887756286 /nfs/dbraw/zinc/75/62/86/887756286.db2.gz PAUVAAACWYINSS-NSHDSACASA-N -1 3 378.266 3.777 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)C(F)(F)F ZINC000459369351 887789149 /nfs/dbraw/zinc/78/91/49/887789149.db2.gz GORGCJRIDAAAJF-QGZVFWFLSA-N -1 3 391.397 3.593 20 0 GHADHM Cc1ccnc(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1Br ZINC000864504865 887810044 /nfs/dbraw/zinc/81/00/44/887810044.db2.gz REOQGYGWXBFLQX-CYBMUJFWSA-N -1 3 397.700 3.839 20 0 GHADHM O=C([O-])[C@@H](CNCc1cccnc1Br)Cc1ccccc1Cl ZINC000864504936 887810458 /nfs/dbraw/zinc/81/04/58/887810458.db2.gz UFSZPRFORGAAKH-CYBMUJFWSA-N -1 3 383.673 3.531 20 0 GHADHM O=C([O-])C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000864506698 887812245 /nfs/dbraw/zinc/81/22/45/887812245.db2.gz ZJAKAYLILHGXMH-LJQANCHMSA-N -1 3 386.879 3.882 20 0 GHADHM C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC[N-]C(=O)C(F)(F)F ZINC000794802741 888096879 /nfs/dbraw/zinc/09/68/79/888096879.db2.gz MJJPKNQLYPJLBS-FZMZJTMJSA-N -1 3 398.347 3.536 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000055286959 888112880 /nfs/dbraw/zinc/11/28/80/888112880.db2.gz VMZHHVIXVKJFRB-UHFFFAOYSA-N -1 3 395.390 3.607 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2cc3ccccc3c(Cl)n2)C1)C(F)(F)F ZINC000810066579 888153956 /nfs/dbraw/zinc/15/39/56/888153956.db2.gz NJXQQAZDTDRFOW-LBPRGKRZSA-N -1 3 385.817 3.779 20 0 GHADHM COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc(C)cc2[O-])cn1 ZINC000055563929 888202156 /nfs/dbraw/zinc/20/21/56/888202156.db2.gz QDORBMBBEMWMLX-UHFFFAOYSA-N -1 3 394.427 3.835 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810179702 888263299 /nfs/dbraw/zinc/26/32/99/888263299.db2.gz WZJRYKPFJXBADS-UHFFFAOYSA-N -1 3 381.745 3.646 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Oc3ccc(F)cc3)cn2)c2ccccc21 ZINC000729663434 888270194 /nfs/dbraw/zinc/27/01/94/888270194.db2.gz DSDHUOGEXANGOR-PDGQHHTCSA-N -1 3 375.359 3.736 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001184495562 913228114 /nfs/dbraw/zinc/22/81/14/913228114.db2.gz SISQRPORXODMIT-MCQJCNNDSA-N -1 3 388.464 3.523 20 0 GHADHM CCCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)o1 ZINC000648914287 888308724 /nfs/dbraw/zinc/30/87/24/888308724.db2.gz FMLYEIGJDJUAGG-UHFFFAOYSA-N -1 3 379.342 3.992 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1OC ZINC000614863686 888400654 /nfs/dbraw/zinc/40/06/54/888400654.db2.gz YDEJUBFXTXQRGV-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)c3cccc1c23 ZINC000105389786 888450772 /nfs/dbraw/zinc/45/07/72/888450772.db2.gz IUTIRQLIKJPAGO-UHFFFAOYSA-N -1 3 378.331 3.624 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1CNC(=O)OC(C)(C)C ZINC000810555124 888615863 /nfs/dbraw/zinc/61/58/63/888615863.db2.gz VYZDRWJCTKLUHD-BLLLJJGKSA-N -1 3 382.888 3.811 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132322716 888636052 /nfs/dbraw/zinc/63/60/52/888636052.db2.gz CEEIXXUQRYTFMP-ZDUSSCGKSA-N -1 3 387.571 3.765 20 0 GHADHM CCOC(=O)C(=Cc1cc(F)cc(F)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000120845248 888686730 /nfs/dbraw/zinc/68/67/30/888686730.db2.gz MDTVMXBNUJAYTF-VGOFMYFVSA-N -1 3 390.411 3.983 20 0 GHADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3cc4ccccc4o3)nc(=O)c2c1C ZINC000053843525 888696071 /nfs/dbraw/zinc/69/60/71/888696071.db2.gz KLVKSPYYQILOPL-UHFFFAOYSA-N -1 3 396.424 3.641 20 0 GHADHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000796103938 913279135 /nfs/dbraw/zinc/27/91/35/913279135.db2.gz MIFSGGCUCOMTHX-BZNIZROVSA-N -1 3 391.386 3.553 20 0 GHADHM O=c1[n-]c(CN[C@@H]2CCCc3c(Cl)sc(Cl)c32)nc2c1COCC2 ZINC000866628557 888979770 /nfs/dbraw/zinc/97/97/70/888979770.db2.gz PCKFFPLYUZFEIR-LLVKDONJSA-N -1 3 386.304 3.790 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2ccc(F)cc2)s1 ZINC000866628860 888980524 /nfs/dbraw/zinc/98/05/24/888980524.db2.gz SIDAQGUBLYZLIU-GFCCVEGCSA-N -1 3 385.464 3.973 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1Cl ZINC000866629683 888982926 /nfs/dbraw/zinc/98/29/26/888982926.db2.gz KIEHXRPAXVFADG-GFCCVEGCSA-N -1 3 377.872 3.546 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810899813 889007728 /nfs/dbraw/zinc/00/77/28/889007728.db2.gz HOMLUBFSHLNMEI-RDJZCZTQSA-N -1 3 398.469 3.906 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](COc2ccccc2F)c2ccccc2)s1 ZINC000532854182 889088666 /nfs/dbraw/zinc/08/86/66/889088666.db2.gz OXIIVPHLOVEUSV-MRXNPFEDSA-N -1 3 392.477 3.689 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000287402573 913314817 /nfs/dbraw/zinc/31/48/17/913314817.db2.gz KCXGLEFWWGCUBS-MRXNPFEDSA-N -1 3 394.244 3.639 20 0 GHADHM Cc1ncsc1COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000811083478 889205934 /nfs/dbraw/zinc/20/59/34/889205934.db2.gz ZMJUBWIXKBOWMP-SFHVURJKSA-N -1 3 396.468 3.762 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2ccnc(Cl)c2s1 ZINC000868586087 889514991 /nfs/dbraw/zinc/51/49/91/889514991.db2.gz QIVFIELMKFVISG-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(C(F)(F)F)ccc3O)c[n-]c12 ZINC000124129262 889516437 /nfs/dbraw/zinc/51/64/37/889516437.db2.gz MIGNCGZMALKIHX-UHFFFAOYSA-N -1 3 380.297 3.952 20 0 GHADHM CC(C)(F)CCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868772196 889588714 /nfs/dbraw/zinc/58/87/14/889588714.db2.gz YEILUXHQPRMAHV-GFCCVEGCSA-N -1 3 389.393 3.507 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000811527916 889681924 /nfs/dbraw/zinc/68/19/24/889681924.db2.gz CPAAJWJNXWDLMG-HXUWFJFHSA-N -1 3 394.899 3.909 20 0 GHADHM CSCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000124630608 889703061 /nfs/dbraw/zinc/70/30/61/889703061.db2.gz BUZDSJCAVLMUAS-UHFFFAOYSA-N -1 3 392.546 3.539 20 0 GHADHM CCc1ccc(C(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000811605078 889802826 /nfs/dbraw/zinc/80/28/26/889802826.db2.gz IDNWSIHHCWWIOU-SPLOXXLWSA-N -1 3 376.497 3.578 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000125177534 889899943 /nfs/dbraw/zinc/89/99/43/889899943.db2.gz IFZOHXUFTLBZDM-UHFFFAOYSA-N -1 3 392.455 3.524 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1Cl ZINC000533179301 889917905 /nfs/dbraw/zinc/91/79/05/889917905.db2.gz GFRCOYCFXSFVID-DFBGVHRSSA-N -1 3 376.305 3.619 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000064374483 889921458 /nfs/dbraw/zinc/92/14/58/889921458.db2.gz MDGNBFJXYXSSAK-UHFFFAOYSA-N -1 3 389.455 3.909 20 0 GHADHM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125401928 889981926 /nfs/dbraw/zinc/98/19/26/889981926.db2.gz MGRJPOBNEOLILN-INIZCTEOSA-N -1 3 392.377 3.583 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCC1 ZINC000125802395 890160885 /nfs/dbraw/zinc/16/08/85/890160885.db2.gz IACVIINOJBLICI-UHFFFAOYSA-N -1 3 376.881 3.686 20 0 GHADHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000533263369 890163396 /nfs/dbraw/zinc/16/33/96/890163396.db2.gz YWEOAHOHIIPKHL-DENIHFKCSA-N -1 3 376.456 3.957 20 0 GHADHM O=C(NCCC1CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000122886928 890184038 /nfs/dbraw/zinc/18/40/38/890184038.db2.gz FNIZYNAWWSSAGC-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM CC[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000811992484 890188250 /nfs/dbraw/zinc/18/82/50/890188250.db2.gz JJFCXLZRGKKCKV-GDBMZVCRSA-N -1 3 385.430 3.546 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2)oc1-c1ccc(Cl)cc1 ZINC000126149044 890382993 /nfs/dbraw/zinc/38/29/93/890382993.db2.gz HZFBIDJFRYGUGC-UHFFFAOYSA-N -1 3 380.828 3.921 20 0 GHADHM C[C@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126197715 890419033 /nfs/dbraw/zinc/41/90/33/890419033.db2.gz ZORPWJIRIQLUBW-LLVKDONJSA-N -1 3 379.254 3.763 20 0 GHADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)N(C)CCC4)cc2)c1C ZINC000812331628 890541539 /nfs/dbraw/zinc/54/15/39/890541539.db2.gz FXMLPBAGGITYMQ-UHFFFAOYSA-N -1 3 396.516 3.672 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Br)ccc2NC(C)C)c(=O)[n-]1 ZINC000470091896 890542245 /nfs/dbraw/zinc/54/22/45/890542245.db2.gz RUDVCECHTUNFIB-UHFFFAOYSA-N -1 3 393.285 3.563 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(Oc2cnccn2)c1 ZINC000126714625 890661563 /nfs/dbraw/zinc/66/15/63/890661563.db2.gz NFYNPQIYHDCUQJ-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cc1ccccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871312704 890745634 /nfs/dbraw/zinc/74/56/34/890745634.db2.gz LXOJGJRUNQMVQU-AWEZNQCLSA-N -1 3 376.378 3.808 20 0 GHADHM O=C(CC[C@H]1CCCCO1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314570 890746514 /nfs/dbraw/zinc/74/65/14/890746514.db2.gz ONBYGMNLTOGIIF-LSDHHAIUSA-N -1 3 398.425 3.535 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)O1 ZINC000871315439 890749993 /nfs/dbraw/zinc/74/99/93/890749993.db2.gz IXBAEKKIRJDVSB-ILXRZTDVSA-N -1 3 398.425 3.533 20 0 GHADHM C[C@]1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C[C@H]2C[C@H]2C1 ZINC000871315605 890750014 /nfs/dbraw/zinc/75/00/14/890750014.db2.gz KKWHMDKYASOMHI-WZFJYNIESA-N -1 3 380.410 3.622 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000126943896 890827002 /nfs/dbraw/zinc/82/70/02/890827002.db2.gz JWYSKFBYAPRCFT-UHFFFAOYSA-N -1 3 395.434 3.710 20 0 GHADHM Cc1nc(CCC(=O)[N-]OC2CCC2)oc1-c1ccc(Br)cc1 ZINC000812787874 890964632 /nfs/dbraw/zinc/96/46/32/890964632.db2.gz BDGOFMJDJXBAIJ-UHFFFAOYSA-N -1 3 379.254 3.945 20 0 GHADHM O=c1[n-]c(SC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc2c1cnn2Cc1ccccc1 ZINC000871679009 890969571 /nfs/dbraw/zinc/96/95/71/890969571.db2.gz STVUJOUBHGDASZ-VYDXJSESSA-N -1 3 382.489 3.630 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccnc(Oc3cccc(C)c3C)c2)s1 ZINC000533634605 890997767 /nfs/dbraw/zinc/99/77/67/890997767.db2.gz GDRWLDRTEJZQGT-UHFFFAOYSA-N -1 3 389.502 3.734 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2)co1 ZINC000917084265 891027560 /nfs/dbraw/zinc/02/75/60/891027560.db2.gz UUNDQNYKRFYDQE-IBGZPJMESA-N -1 3 391.427 3.599 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3)c2)ccc1C ZINC000872011187 891108553 /nfs/dbraw/zinc/10/85/53/891108553.db2.gz ANVKYVIWGGJYIF-UHFFFAOYSA-N -1 3 387.505 3.663 20 0 GHADHM O=C(NCCOCc1ccc(Cl)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001137555959 891158983 /nfs/dbraw/zinc/15/89/83/891158983.db2.gz HLPRIJHBUKEJED-UHFFFAOYSA-N -1 3 391.254 3.782 20 0 GHADHM CCOCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825589207 891207970 /nfs/dbraw/zinc/20/79/70/891207970.db2.gz BOKLVSYZAYGJRV-OAHLLOKOSA-N -1 3 379.464 3.528 20 0 GHADHM CCOCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825589207 891207980 /nfs/dbraw/zinc/20/79/80/891207980.db2.gz BOKLVSYZAYGJRV-OAHLLOKOSA-N -1 3 379.464 3.528 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1NC(=O)c1ccccc1 ZINC000127693493 891210302 /nfs/dbraw/zinc/21/03/02/891210302.db2.gz CJWMRGFETUWWCM-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)c1ccccc1 ZINC000127693493 891210315 /nfs/dbraw/zinc/21/03/15/891210315.db2.gz CJWMRGFETUWWCM-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM COc1ccc(OC(F)F)c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000872323121 891238235 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GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(-c3ccc(CC)cc3)o2)s1 ZINC000128598101 892189418 /nfs/dbraw/zinc/18/94/18/892189418.db2.gz OCGZKNQNUJXSEZ-UHFFFAOYSA-N -1 3 385.445 3.718 20 0 GHADHM Cc1nc(NC=C2C(=O)[N-]C(=O)c3ccccc32)sc1Cc1ccccc1 ZINC000917603322 892271739 /nfs/dbraw/zinc/27/17/39/892271739.db2.gz RFCUUUARBZUYOR-ATVHPVEESA-N -1 3 375.453 3.765 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cnn3c2nc(C)cc3C)s1)c1ccccc1 ZINC000106853628 892293577 /nfs/dbraw/zinc/29/35/77/892293577.db2.gz YULGKHXJFRQBRC-OAHLLOKOSA-N -1 3 392.488 3.992 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3OCc3cscn3)n[n-]2)o1 ZINC000497739287 892300533 /nfs/dbraw/zinc/30/05/33/892300533.db2.gz MMONRPYYHDHXGL-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM O=C(N[C@@H]1CC12CCC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000874780671 892326963 /nfs/dbraw/zinc/32/69/63/892326963.db2.gz QPKWNIBDMKXTST-GFCCVEGCSA-N -1 3 381.657 3.616 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2ccc(Br)cc2C1 ZINC000497810303 892449984 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3.977 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1ccccn1)c1cc(F)c(F)c(F)c1 ZINC000497956616 892845740 /nfs/dbraw/zinc/84/57/40/892845740.db2.gz DLMNECNUKQNPOC-SFHVURJKSA-N -1 3 396.365 3.706 20 0 GHADHM Cc1c(C(=O)Nc2cccc([O-])c2F)sc2nc3n(c(=O)c12)CCCCC3 ZINC000129034362 892911914 /nfs/dbraw/zinc/91/19/14/892911914.db2.gz FRNUULSATGASPU-UHFFFAOYSA-N -1 3 387.436 3.590 20 0 GHADHM O=C([N-]CC1CCN(C(=O)Nc2csc3ccccc23)CC1)C(F)(F)F ZINC000282073068 893060376 /nfs/dbraw/zinc/06/03/76/893060376.db2.gz WWWDDXDSNBHFSW-UHFFFAOYSA-N -1 3 385.411 3.824 20 0 GHADHM COc1ccc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000129216552 893167782 /nfs/dbraw/zinc/16/77/82/893167782.db2.gz XPFYOKVOPALPGO-UHFFFAOYSA-N -1 3 390.277 3.967 20 0 GHADHM CCC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCCC1 ZINC000129277173 893215107 /nfs/dbraw/zinc/21/51/07/893215107.db2.gz NSKIECQIUDLMEY-UHFFFAOYSA-N -1 3 393.484 3.655 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)c1ccco1 ZINC000508773948 893301188 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GHADHM [O-]c1ccccc1-c1nnc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000878015395 893949652 /nfs/dbraw/zinc/94/96/52/893949652.db2.gz CKRQUZRRORAZAF-KRWDZBQOSA-N -1 3 383.423 3.763 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)on1)c1ccc(Br)s1 ZINC000129767437 893957049 /nfs/dbraw/zinc/95/70/49/893957049.db2.gz VLNJYFQKPVNSRC-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(CN3CCc4ccccc43)CC2)o1 ZINC000878098694 894016194 /nfs/dbraw/zinc/01/61/94/894016194.db2.gz LMSMMJGDSHPRDY-UHFFFAOYSA-N -1 3 390.487 3.717 20 0 GHADHM CC(C)N(Cc1nnc(-c2ccccc2[O-])o1)c1ccc(N2CCOCC2)cc1 ZINC000878231667 894113946 /nfs/dbraw/zinc/11/39/46/894113946.db2.gz WPPMWQJKTFNKQC-UHFFFAOYSA-N -1 3 394.475 3.694 20 0 GHADHM O=c1[n-]c(CN2CC=C(c3ccccc3C(F)(F)F)CC2)nc2c1COCC2 ZINC000878272377 894146865 /nfs/dbraw/zinc/14/68/65/894146865.db2.gz BLZAACPZZZTYJM-UHFFFAOYSA-N -1 3 391.393 3.563 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)c[n-]1 ZINC000815912792 894286663 /nfs/dbraw/zinc/28/66/63/894286663.db2.gz YTYZHLCMKLYCNZ-UHFFFAOYSA-N -1 3 392.411 3.606 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H](Cc3csc4ccccc34)C2)nc2c1COCC2 ZINC000878439994 894293091 /nfs/dbraw/zinc/29/30/91/894293091.db2.gz AJBJJWIHDRXDRN-OAHLLOKOSA-N -1 3 395.528 3.924 20 0 GHADHM COc1cc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc(OC)c1[O-] ZINC000564024432 894477917 /nfs/dbraw/zinc/47/79/17/894477917.db2.gz TXGXFXUJZHEJMD-UHFFFAOYSA-N -1 3 391.292 3.636 20 0 GHADHM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1Br ZINC000564100723 894594960 /nfs/dbraw/zinc/59/49/60/894594960.db2.gz FNPSXJSVBLKXLB-UHFFFAOYSA-N -1 3 397.294 3.667 20 0 GHADHM CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000537232709 894615650 /nfs/dbraw/zinc/61/56/50/894615650.db2.gz PRZOKMFOXYJIGF-UHFFFAOYSA-N -1 3 386.398 3.825 20 0 GHADHM Cc1cnc(C2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CC2)s1 ZINC000935660065 894705811 /nfs/dbraw/zinc/70/58/11/894705811.db2.gz YCKCIAAOAZQQSK-UHFFFAOYSA-N -1 3 389.427 3.591 20 0 GHADHM Cc1cc(I)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001135577885 894837310 /nfs/dbraw/zinc/83/73/10/894837310.db2.gz CVSWAQVWYAZHFY-UHFFFAOYSA-N -1 3 385.176 3.626 20 0 GHADHM O=c1[n-]c(CN2CCO[C@H](Cc3ccccc3)C2)nc2c3ccccc3oc21 ZINC000537375175 894851665 /nfs/dbraw/zinc/85/16/65/894851665.db2.gz RBDUVVVUMMULQD-MRXNPFEDSA-N -1 3 375.428 3.525 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc([O-])c3F)C[C@@H]21 ZINC000816567628 894948286 /nfs/dbraw/zinc/94/82/86/894948286.db2.gz HUARVRMXIHCYPT-DVOMOZLQSA-N -1 3 382.451 3.796 20 0 GHADHM C[C@@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000564570296 895090975 /nfs/dbraw/zinc/09/09/75/895090975.db2.gz LGMPZOVQCPHIDR-UZLBHIALSA-N -1 3 390.499 3.530 20 0 GHADHM COc1ccc([C@@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CCO2)cc1 ZINC000879634850 895188935 /nfs/dbraw/zinc/18/89/35/895188935.db2.gz YAPOFPLNEBLBPV-SFHVURJKSA-N -1 3 391.427 3.664 20 0 GHADHM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565200385 895456291 /nfs/dbraw/zinc/45/62/91/895456291.db2.gz QWJDKBRTSDXOSB-MQMHXKEQSA-N -1 3 377.366 3.754 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(C)(C)C)c(F)c3)CCCC2)no1 ZINC001185587779 913977228 /nfs/dbraw/zinc/97/72/28/913977228.db2.gz HURCOVHZMAZJHR-UHFFFAOYSA-N -1 3 381.473 3.562 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(c3ccnc4ccccc43)CC2)c(=O)[n-]1 ZINC000880188390 895563767 /nfs/dbraw/zinc/56/37/67/895563767.db2.gz CEHMBSWVNVGQPP-UHFFFAOYSA-N -1 3 390.487 3.686 20 0 GHADHM COCCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826155748 895658881 /nfs/dbraw/zinc/65/88/81/895658881.db2.gz AHNMBBUQKNNDNZ-OAHLLOKOSA-N -1 3 379.464 3.528 20 0 GHADHM COCCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826155748 895658886 /nfs/dbraw/zinc/65/88/86/895658886.db2.gz AHNMBBUQKNNDNZ-OAHLLOKOSA-N -1 3 379.464 3.528 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c(-c2ccccc2)s1 ZINC001185615451 913991439 /nfs/dbraw/zinc/99/14/39/913991439.db2.gz RGFPLHOSYGBJBB-UHFFFAOYSA-N -1 3 379.894 3.645 20 0 GHADHM COCc1nsc(N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826165944 895725523 /nfs/dbraw/zinc/72/55/23/895725523.db2.gz OSZYMLXSFBWOHS-LBPRGKRZSA-N -1 3 393.476 3.705 20 0 GHADHM COCc1nsc(N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826165944 895725560 /nfs/dbraw/zinc/72/55/60/895725560.db2.gz OSZYMLXSFBWOHS-LBPRGKRZSA-N -1 3 393.476 3.705 20 0 GHADHM CCCCSc1ccc(Cl)cc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880514663 895737398 /nfs/dbraw/zinc/73/73/98/895737398.db2.gz LQIUZURXSBQBNO-UHFFFAOYSA-N -1 3 383.926 3.947 20 0 GHADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000778490534 895782893 /nfs/dbraw/zinc/78/28/93/895782893.db2.gz DZUPGKZGSPYLJU-HNNXBMFYSA-N -1 3 375.350 3.629 20 0 GHADHM CC(C)(C)OC(=O)N1CCC12CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000817670385 895801785 /nfs/dbraw/zinc/80/17/85/895801785.db2.gz QCTUWAILFPGVOB-UHFFFAOYSA-N -1 3 380.872 3.661 20 0 GHADHM CCCN(Cc1ccccc1Br)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565784943 895875726 /nfs/dbraw/zinc/87/57/26/895875726.db2.gz XURJHBSABXLRPQ-UHFFFAOYSA-N -1 3 390.281 3.875 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001136017045 895914616 /nfs/dbraw/zinc/91/46/16/895914616.db2.gz VNVZPGRPPHRZNC-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM Nc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000818001290 895985280 /nfs/dbraw/zinc/98/52/80/895985280.db2.gz ZTVVYJLIXLHXGZ-KRWDZBQOSA-N -1 3 378.432 3.782 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccc1C(F)(F)F)C1CC1)c1ccc(Cl)nc1 ZINC001185704214 914030137 /nfs/dbraw/zinc/03/01/37/914030137.db2.gz LVQQCEXCMSMHAA-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1OC ZINC000566271881 896209590 /nfs/dbraw/zinc/20/95/90/896209590.db2.gz XDKKVCPFTWQHET-CVEARBPZSA-N -1 3 380.510 3.612 20 0 GHADHM CC(C)(C)c1csc(C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)n1 ZINC000566441336 896316015 /nfs/dbraw/zinc/31/60/15/896316015.db2.gz DBMYZEXMLBPQHX-UHFFFAOYSA-N -1 3 386.521 3.833 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(Cc3ccccc3Cl)CC2)c(=O)[n-]1 ZINC000881437277 896331363 /nfs/dbraw/zinc/33/13/63/896331363.db2.gz JUTYZLCMFAUOKF-UHFFFAOYSA-N -1 3 387.911 3.866 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC(F)CC1 ZINC000881606055 896394021 /nfs/dbraw/zinc/39/40/21/896394021.db2.gz QKEONIUXFWFIQI-UHFFFAOYSA-N -1 3 394.443 3.509 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000566616652 896425575 /nfs/dbraw/zinc/42/55/75/896425575.db2.gz BAZRCGJPJKCGPW-HUUCEWRRSA-N -1 3 382.439 3.933 20 0 GHADHM Cc1ccc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000566667708 896475441 /nfs/dbraw/zinc/47/54/41/896475441.db2.gz YYVVTXXHYBJNKV-QFIPXVFZSA-N -1 3 381.295 3.579 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231931 896563616 /nfs/dbraw/zinc/56/36/16/896563616.db2.gz QWOQQBPGNHHEHC-MRXNPFEDSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231931 896563621 /nfs/dbraw/zinc/56/36/21/896563621.db2.gz QWOQQBPGNHHEHC-MRXNPFEDSA-N -1 3 383.455 3.954 20 0 GHADHM O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC001185781576 914079476 /nfs/dbraw/zinc/07/94/76/914079476.db2.gz VMIPQHGKFBCOCN-UHFFFAOYSA-N -1 3 380.301 3.936 20 0 GHADHM O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001185781576 914079494 /nfs/dbraw/zinc/07/94/94/914079494.db2.gz VMIPQHGKFBCOCN-UHFFFAOYSA-N -1 3 380.301 3.936 20 0 GHADHM Cc1c(Cl)cnc(N[C@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nnn[n-]1 ZINC000826238348 896591640 /nfs/dbraw/zinc/59/16/40/896591640.db2.gz DHRFNGZBCPAUFQ-ZDUSSCGKSA-N -1 3 386.891 3.665 20 0 GHADHM Cc1c(Cl)cnc(N[C@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nn[n-]n1 ZINC000826238348 896591662 /nfs/dbraw/zinc/59/16/62/896591662.db2.gz DHRFNGZBCPAUFQ-ZDUSSCGKSA-N -1 3 386.891 3.665 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2cccc(N(C)C)c2)c1-c1nnn[n-]1 ZINC000826237656 896592183 /nfs/dbraw/zinc/59/21/83/896592183.db2.gz HTVPSBNMYDMEAR-MRXNPFEDSA-N -1 3 383.887 3.631 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2cccc(N(C)C)c2)c1-c1nn[n-]n1 ZINC000826237656 896592196 /nfs/dbraw/zinc/59/21/96/896592196.db2.gz HTVPSBNMYDMEAR-MRXNPFEDSA-N -1 3 383.887 3.631 20 0 GHADHM C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000882042359 896626910 /nfs/dbraw/zinc/62/69/10/896626910.db2.gz HCEMNFMLAXDXMH-HXUWFJFHSA-N -1 3 391.393 3.714 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](NC(=O)c1c[n-]c3ccccc3c1=O)CCCC2 ZINC000882408420 896793188 /nfs/dbraw/zinc/79/31/88/896793188.db2.gz FUOGWMDLSHHCPU-IBGZPJMESA-N -1 3 392.455 3.743 20 0 GHADHM Cc1ccc(-c2nc(CSc3nnc(C)c(C)c3-c3nnn[n-]3)cs2)o1 ZINC000826273383 896862485 /nfs/dbraw/zinc/86/24/85/896862485.db2.gz BEQPCPFMRWASMN-UHFFFAOYSA-N -1 3 385.478 3.591 20 0 GHADHM Cc1ccc(-c2nc(CSc3nnc(C)c(C)c3-c3nn[n-]n3)cs2)o1 ZINC000826273383 896862496 /nfs/dbraw/zinc/86/24/96/896862496.db2.gz BEQPCPFMRWASMN-UHFFFAOYSA-N -1 3 385.478 3.591 20 0 GHADHM Cc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1C ZINC000826282252 896866311 /nfs/dbraw/zinc/86/63/11/896866311.db2.gz FVFNGOVPLZWDLJ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(Cl)c1C ZINC000826282492 896867364 /nfs/dbraw/zinc/86/73/64/896867364.db2.gz QRAABGAWZMATIO-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(Cl)c1C ZINC000826282492 896867369 /nfs/dbraw/zinc/86/73/69/896867369.db2.gz QRAABGAWZMATIO-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC12CCC2 ZINC000567113426 896884651 /nfs/dbraw/zinc/88/46/51/896884651.db2.gz HFPKVIKKDIBUSL-HXUWFJFHSA-N -1 3 378.472 3.799 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(Cl)c1Cl ZINC000567124258 896893860 /nfs/dbraw/zinc/89/38/60/896893860.db2.gz AHVQPFYUJVJZNS-BXUZGUMPSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]cnc(=N[C@H](C)[C@H](c3ccccc3C)N(C)C)c12 ZINC000567275488 897026235 /nfs/dbraw/zinc/02/62/35/897026235.db2.gz MMXJIRDRMLSLLB-CZUORRHYSA-N -1 3 384.505 3.532 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820561809 897395369 /nfs/dbraw/zinc/39/53/69/897395369.db2.gz AMUAUHWTCGQUJX-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820561809 897395383 /nfs/dbraw/zinc/39/53/83/897395383.db2.gz AMUAUHWTCGQUJX-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM Cc1ccnc(NCc2ccccc2COCc2ccccc2)c1-c1nnn[n-]1 ZINC000826314075 897452677 /nfs/dbraw/zinc/45/26/77/897452677.db2.gz FCLGXJBZKJYNHX-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccnc(NCc2ccccc2COCc2ccccc2)c1-c1nn[n-]n1 ZINC000826314075 897452695 /nfs/dbraw/zinc/45/26/95/897452695.db2.gz FCLGXJBZKJYNHX-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)F)c1ccc[n+]([O-])c1 ZINC000131536479 897503802 /nfs/dbraw/zinc/50/38/02/897503802.db2.gz QRDYEVXTKFLKGK-UHFFFAOYSA-N -1 3 378.322 3.948 20 0 GHADHM Cc1nc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(-c2ccccc2)s1 ZINC000826323418 897589609 /nfs/dbraw/zinc/58/96/09/897589609.db2.gz DACBYEYWFYLOOI-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(-c2ccccc2)s1 ZINC000826323418 897589616 /nfs/dbraw/zinc/58/96/16/897589616.db2.gz DACBYEYWFYLOOI-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Nc1cccc2c1N(C(=O)CCCCCCCNC(=O)c1ccccc1[O-])CC2 ZINC001185933704 914177789 /nfs/dbraw/zinc/17/77/89/914177789.db2.gz ODCIKYWKQTYHQA-UHFFFAOYSA-N -1 3 395.503 3.634 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826323579 897644866 /nfs/dbraw/zinc/64/48/66/897644866.db2.gz JOMYTEISFAVWHN-CYBMUJFWSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826323579 897644877 /nfs/dbraw/zinc/64/48/77/897644877.db2.gz JOMYTEISFAVWHN-CYBMUJFWSA-N -1 3 399.524 3.658 20 0 GHADHM CC(=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1[O-] ZINC001136399734 897648749 /nfs/dbraw/zinc/64/87/49/897648749.db2.gz LRWJJKOYVCXEPY-UHFFFAOYSA-N -1 3 395.455 3.955 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821048986 897666954 /nfs/dbraw/zinc/66/69/54/897666954.db2.gz IDAHGGQDVYWGCE-QGZVFWFLSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821048986 897666956 /nfs/dbraw/zinc/66/69/56/897666956.db2.gz IDAHGGQDVYWGCE-QGZVFWFLSA-N -1 3 395.463 3.929 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN([C@H](C)C(=O)[O-])C3CCC3)cc2)cc1 ZINC000568290644 897716634 /nfs/dbraw/zinc/71/66/34/897716634.db2.gz OAEGXTMELWXFPN-MRXNPFEDSA-N -1 3 387.501 3.655 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000821104576 897747302 /nfs/dbraw/zinc/74/73/02/897747302.db2.gz JBXRLCCITOYJNA-DLBZAZTESA-N -1 3 392.507 3.981 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000821104576 897747312 /nfs/dbraw/zinc/74/73/12/897747312.db2.gz JBXRLCCITOYJNA-DLBZAZTESA-N -1 3 392.507 3.981 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@H](OC(C)C)c2ccccc2)c1 ZINC000821186978 897753274 /nfs/dbraw/zinc/75/32/74/897753274.db2.gz XCDNCUDRMHMNRP-AFMDSPMNSA-N -1 3 376.474 3.512 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc3c(c2)OC2(CCCCC2)O3)c2ccccc21 ZINC000028694072 897866689 /nfs/dbraw/zinc/86/66/89/897866689.db2.gz SRNLYHLWCMYEQJ-GHRIWEEISA-N -1 3 376.412 3.841 20 0 GHADHM COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752745 897884336 /nfs/dbraw/zinc/88/43/36/897884336.db2.gz WBIYVULSSNPKMT-SECBINFHSA-N -1 3 399.230 3.601 20 0 GHADHM O=C(Nc1ccc(C2CC2)cc1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000772852555 897927225 /nfs/dbraw/zinc/92/72/25/897927225.db2.gz LJUUIVDGLIYUQB-UHFFFAOYSA-N -1 3 392.427 3.535 20 0 GHADHM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568648119 898006641 /nfs/dbraw/zinc/00/66/41/898006641.db2.gz YKHFBQCJNJWHHO-UHFFFAOYSA-N -1 3 399.344 3.729 20 0 GHADHM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1cccnc1C(F)(F)F ZINC000568850758 898163769 /nfs/dbraw/zinc/16/37/69/898163769.db2.gz YXUJZYPXINRRMK-UHFFFAOYSA-N -1 3 376.425 3.519 20 0 GHADHM O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc([O-])ccc1Cl ZINC000568863320 898173112 /nfs/dbraw/zinc/17/31/12/898173112.db2.gz QDWCIXSGBKOVAY-UHFFFAOYSA-N -1 3 393.628 3.846 20 0 GHADHM CC(C)(CNC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(Br)c1 ZINC001136529936 898176358 /nfs/dbraw/zinc/17/63/58/898176358.db2.gz UZYUDDGIPPLVOL-UHFFFAOYSA-N -1 3 392.249 3.591 20 0 GHADHM CCc1ccc(F)cc1C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001170974778 898179308 /nfs/dbraw/zinc/17/93/08/898179308.db2.gz QPYDQMZMBFSTBH-UHFFFAOYSA-N -1 3 396.422 3.933 20 0 GHADHM CCCCC[C@@H](O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000822114884 898212180 /nfs/dbraw/zinc/21/21/80/898212180.db2.gz MARHVEWSSIBBDV-LJQANCHMSA-N -1 3 390.505 3.676 20 0 GHADHM CN(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OC(C)(C)C ZINC001136539840 898223809 /nfs/dbraw/zinc/22/38/09/898223809.db2.gz QRCYEUDMAPTCSC-UHFFFAOYSA-N -1 3 384.476 3.580 20 0 GHADHM Cc1ccsc1-c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000568936704 898224937 /nfs/dbraw/zinc/22/49/37/898224937.db2.gz LASCAEAWKAKFOL-UHFFFAOYSA-N -1 3 393.490 3.836 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)n2)cc1 ZINC000822214217 898268874 /nfs/dbraw/zinc/26/88/74/898268874.db2.gz UWKMPHWXQUXQPN-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000822214217 898268888 /nfs/dbraw/zinc/26/88/88/898268888.db2.gz UWKMPHWXQUXQPN-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822274571 898282594 /nfs/dbraw/zinc/28/25/94/898282594.db2.gz BHBIQVRBZRBBJF-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822274571 898282611 /nfs/dbraw/zinc/28/26/11/898282611.db2.gz BHBIQVRBZRBBJF-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000133297756 898287218 /nfs/dbraw/zinc/28/72/18/898287218.db2.gz PMSBWOJFAOKYNC-JOCHJYFZSA-N -1 3 395.462 3.905 20 0 GHADHM COc1ccc(-n2c(CN3C[C@@H](C)[C@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000569111447 898348535 /nfs/dbraw/zinc/34/85/35/898348535.db2.gz TYEOOKOUMDUYQC-IVZQSRNASA-N -1 3 379.460 3.577 20 0 GHADHM Fc1ccc(-n2cc(CSc3cccc(-c4nnn[n-]4)c3)nn2)cc1Cl ZINC000826373247 898395269 /nfs/dbraw/zinc/39/52/69/898395269.db2.gz FTDNPFKLTHXHML-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1ccc(-n2cc(CSc3cccc(-c4nn[n-]n4)c3)nn2)cc1Cl ZINC000826373247 898395282 /nfs/dbraw/zinc/39/52/82/898395282.db2.gz FTDNPFKLTHXHML-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2csc(-c3cccs3)n2)C1)C(F)(F)F ZINC000289594799 914255258 /nfs/dbraw/zinc/25/52/58/914255258.db2.gz XJAJFSCJIGTLHK-LLVKDONJSA-N -1 3 389.468 3.762 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)C(F)(F)F ZINC000289600953 914258656 /nfs/dbraw/zinc/25/86/56/914258656.db2.gz XTASGSKSFRLICB-ZDUSSCGKSA-N -1 3 383.439 3.701 20 0 GHADHM Clc1snnc1CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822590637 898515244 /nfs/dbraw/zinc/51/52/44/898515244.db2.gz LCIXQBMTQGNNFN-UHFFFAOYSA-N -1 3 385.840 3.776 20 0 GHADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1[n-]cnc1C(F)(F)F ZINC000822820580 898652419 /nfs/dbraw/zinc/65/24/19/898652419.db2.gz IRYQTXASEOPTCC-UHFFFAOYSA-N -1 3 380.370 3.697 20 0 GHADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1nc[n-]c1C(F)(F)F ZINC000822820580 898652424 /nfs/dbraw/zinc/65/24/24/898652424.db2.gz IRYQTXASEOPTCC-UHFFFAOYSA-N -1 3 380.370 3.697 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136638775 898695697 /nfs/dbraw/zinc/69/56/97/898695697.db2.gz MAHNISNMZHFUCQ-HXUWFJFHSA-N -1 3 388.423 3.720 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(-c2ccccc2Cl)s1 ZINC001136654199 898777054 /nfs/dbraw/zinc/77/70/54/898777054.db2.gz YAMIFKRRQGKBHT-IUCKJTJTSA-N -1 3 387.892 3.710 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000569584585 898808546 /nfs/dbraw/zinc/80/85/46/898808546.db2.gz YETCYVGSMSQYLZ-UHFFFAOYSA-N -1 3 397.397 3.668 20 0 GHADHM CCOC(=O)Nc1ccc(OC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001136687185 898904383 /nfs/dbraw/zinc/90/43/83/898904383.db2.gz GEHBSJGVMPOBMJ-UHFFFAOYSA-N -1 3 380.194 3.942 20 0 GHADHM Cc1oc2ccc(NC(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)cc2c1C ZINC000289685285 914296104 /nfs/dbraw/zinc/29/61/04/914296104.db2.gz JSRKUWXJJMOUDS-ZDUSSCGKSA-N -1 3 397.397 3.972 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@H]1CCCS1 ZINC000823356827 898980453 /nfs/dbraw/zinc/98/04/53/898980453.db2.gz OTJGXZJWXLKGFL-MRXNPFEDSA-N -1 3 385.424 3.632 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@H]1CCCS1 ZINC000823356827 898980463 /nfs/dbraw/zinc/98/04/63/898980463.db2.gz OTJGXZJWXLKGFL-MRXNPFEDSA-N -1 3 385.424 3.632 20 0 GHADHM COc1cc(F)c([C@H](C)NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1OC ZINC000114501101 899089936 /nfs/dbraw/zinc/08/99/36/899089936.db2.gz RTZVUFZRIPRQLN-LBPRGKRZSA-N -1 3 387.407 3.814 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646201098 914319157 /nfs/dbraw/zinc/31/91/57/914319157.db2.gz QZNRRWYFTOSZHF-STQMWFEESA-N -1 3 397.406 3.579 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)sc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202066 914319707 /nfs/dbraw/zinc/31/97/07/914319707.db2.gz FTQQXGSSEYMERY-JGVFFNPUSA-N -1 3 388.276 3.549 20 0 GHADHM c1c(COc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)nc2ccccn12 ZINC000823809978 899250643 /nfs/dbraw/zinc/25/06/43/899250643.db2.gz UIRSDLGFDHIHKT-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1c(COc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)nc2ccccn12 ZINC000823809978 899250657 /nfs/dbraw/zinc/25/06/57/899250657.db2.gz UIRSDLGFDHIHKT-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)c(C)c1 ZINC000116159931 899251869 /nfs/dbraw/zinc/25/18/69/899251869.db2.gz XHKILUMVKQFUFN-RUZDIDTESA-N -1 3 395.546 3.852 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c([O-])c1 ZINC000823837495 899273304 /nfs/dbraw/zinc/27/33/04/899273304.db2.gz XEALANSTQCLHRQ-UHFFFAOYSA-N -1 3 395.484 3.913 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(C[C@H]3C)CCOCC4)cc2)cc(=O)[n-]1 ZINC000646229506 914335258 /nfs/dbraw/zinc/33/52/58/914335258.db2.gz KRUSOLZEXYCJBD-CQSZACIVSA-N -1 3 382.464 3.581 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H](C)C1 ZINC001136799578 899325872 /nfs/dbraw/zinc/32/58/72/899325872.db2.gz VDXARUGOQIHASK-ZETOZRRWSA-N -1 3 377.282 3.845 20 0 GHADHM CCC[C@H](OC)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000570483262 899337176 /nfs/dbraw/zinc/33/71/76/899337176.db2.gz QIIYHORSBIROKH-NSHDSACASA-N -1 3 378.230 3.772 20 0 GHADHM O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1cc([O-])ccc1Cl ZINC000570577709 899405574 /nfs/dbraw/zinc/40/55/74/899405574.db2.gz KZKPXQNGVHYTRY-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000824154507 899431241 /nfs/dbraw/zinc/43/12/41/899431241.db2.gz OYVHXPPDWAJNKD-LUAWRHEFSA-N -1 3 379.382 3.964 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824391429 899580360 /nfs/dbraw/zinc/58/03/60/899580360.db2.gz ITQYKJCHCUCBPJ-ZBEGNZNMSA-N -1 3 388.269 3.553 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824391429 899580366 /nfs/dbraw/zinc/58/03/66/899580366.db2.gz ITQYKJCHCUCBPJ-ZBEGNZNMSA-N -1 3 388.269 3.553 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c2ccccc2O1 ZINC000332375863 899616435 /nfs/dbraw/zinc/61/64/35/899616435.db2.gz ROOXJHSOLKJGHO-GFCCVEGCSA-N -1 3 386.395 3.681 20 0 GHADHM C[C@@H](NC(=O)COC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479934 899625512 /nfs/dbraw/zinc/62/55/12/899625512.db2.gz RUUJNHXGWCHUEH-CQSZACIVSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@@H](NC(=O)COC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479934 899625518 /nfs/dbraw/zinc/62/55/18/899625518.db2.gz RUUJNHXGWCHUEH-CQSZACIVSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@H](NC(=O)CCOCC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480575 899626709 /nfs/dbraw/zinc/62/67/09/899626709.db2.gz YVMHGDCWPOZJLA-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)CCOCC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480575 899626713 /nfs/dbraw/zinc/62/67/13/899626713.db2.gz YVMHGDCWPOZJLA-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)c1cccc(F)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824522992 899658465 /nfs/dbraw/zinc/65/84/65/899658465.db2.gz XHSPFWJKNOPDNU-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1cccc(F)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522992 899658467 /nfs/dbraw/zinc/65/84/67/899658467.db2.gz XHSPFWJKNOPDNU-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)s1 ZINC000570881108 899663349 /nfs/dbraw/zinc/66/33/49/899663349.db2.gz RPODLQXXBORIKW-ZANVPECISA-N -1 3 388.308 3.620 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@H]1C ZINC000332541702 899749720 /nfs/dbraw/zinc/74/97/20/899749720.db2.gz XIJHUCLIDSLKTO-CABCVRRESA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824869200 899876896 /nfs/dbraw/zinc/87/68/96/899876896.db2.gz YZGGFVZAPUYYFE-SXGZJXTBSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824869200 899876900 /nfs/dbraw/zinc/87/69/00/899876900.db2.gz YZGGFVZAPUYYFE-SXGZJXTBSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)[C@H]2CCCC[C@H]12 ZINC000824977934 899925634 /nfs/dbraw/zinc/92/56/34/899925634.db2.gz SYEIXGLKGMJRAE-QKCSRTOESA-N -1 3 392.410 3.511 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)[C@H]2CCCC[C@H]12 ZINC000824977934 899925648 /nfs/dbraw/zinc/92/56/48/899925648.db2.gz SYEIXGLKGMJRAE-QKCSRTOESA-N -1 3 392.410 3.511 20 0 GHADHM CCc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c([O-])c1 ZINC001136978634 899942580 /nfs/dbraw/zinc/94/25/80/899942580.db2.gz LUXVLNVSZXZMKF-GFCCVEGCSA-N -1 3 378.266 3.914 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)co2)cc1 ZINC000571889040 900000812 /nfs/dbraw/zinc/00/08/12/900000812.db2.gz ZBVKCVIHOXZZCH-WOJBJXKFSA-N -1 3 378.428 3.650 20 0 GHADHM CCCCC[C@@H](CC)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825265760 900060430 /nfs/dbraw/zinc/06/04/30/900060430.db2.gz AZAVYUBCFQCINM-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCC[C@@H](CC)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825265760 900060438 /nfs/dbraw/zinc/06/04/38/900060438.db2.gz AZAVYUBCFQCINM-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(OC(F)(F)Cl)cc1 ZINC000825305209 900079649 /nfs/dbraw/zinc/07/96/49/900079649.db2.gz VEUPGMYWEFYGJY-UHFFFAOYSA-N -1 3 383.782 3.548 20 0 GHADHM COc1cc(C2(C(=O)OCc3nnc(-c4ccccc4[O-])o3)CCC2)ccc1C ZINC000884485466 900130961 /nfs/dbraw/zinc/13/09/61/900130961.db2.gz YYFZCOIUJVJDAQ-UHFFFAOYSA-N -1 3 394.427 3.924 20 0 GHADHM CCN(C(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385545 900137481 /nfs/dbraw/zinc/13/74/81/900137481.db2.gz KECVGXPYOIHRAN-UHFFFAOYSA-N -1 3 382.493 3.819 20 0 GHADHM CCN(C(=O)c1ccnc(SC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385545 900137492 /nfs/dbraw/zinc/13/74/92/900137492.db2.gz KECVGXPYOIHRAN-UHFFFAOYSA-N -1 3 382.493 3.819 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825439631 900164763 /nfs/dbraw/zinc/16/47/63/900164763.db2.gz IKABAPAMQITWBK-UHFFFAOYSA-N -1 3 387.896 3.661 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825439631 900164770 /nfs/dbraw/zinc/16/47/70/900164770.db2.gz IKABAPAMQITWBK-UHFFFAOYSA-N -1 3 387.896 3.661 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Br)n1 ZINC000135240619 900206466 /nfs/dbraw/zinc/20/64/66/900206466.db2.gz CEPKXKJIPJHTIB-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572837623 900288752 /nfs/dbraw/zinc/28/87/52/900288752.db2.gz LFFDBXAUIXMCHK-AEFFLSMTSA-N -1 3 377.282 3.845 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1([C@@H]2CCNc3ccccc32)CC1 ZINC000885115110 900385171 /nfs/dbraw/zinc/38/51/71/900385171.db2.gz LVIYITYAQGZWHO-MRXNPFEDSA-N -1 3 391.427 3.865 20 0 GHADHM CCCCc1ncc(CN2CCC[C@H](C)[C@@H]2CO)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747896 900473886 /nfs/dbraw/zinc/47/38/86/900473886.db2.gz CEPSAPMMQXYJPC-UWJYYQICSA-N -1 3 399.535 3.565 20 0 GHADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)c2ccccn2)cc1 ZINC000157628955 900657210 /nfs/dbraw/zinc/65/72/10/900657210.db2.gz VPLGOGNMUFDFFB-FQEVSTJZSA-N -1 3 395.459 3.663 20 0 GHADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1cc2c(cc1Cl)OCCO2 ZINC000574193567 900813898 /nfs/dbraw/zinc/81/38/98/900813898.db2.gz MOTZAYHBRDTSJH-UHFFFAOYSA-N -1 3 378.208 3.705 20 0 GHADHM O=S(=O)(CCC1CCC1)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000574200830 900817865 /nfs/dbraw/zinc/81/78/65/900817865.db2.gz GHEROLCPFDDYOJ-INIZCTEOSA-N -1 3 397.541 3.580 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000290018386 914484121 /nfs/dbraw/zinc/48/41/21/914484121.db2.gz JSVSMXQFSTUMDM-UHFFFAOYSA-N -1 3 380.441 3.894 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)OC(C)C ZINC000574428889 900886320 /nfs/dbraw/zinc/88/63/20/900886320.db2.gz CQQBWWRDTQFTIV-UHFFFAOYSA-N -1 3 387.379 3.778 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000574762947 900999408 /nfs/dbraw/zinc/99/94/08/900999408.db2.gz BINVBKWDQQEQNP-MHECFPHRSA-N -1 3 394.515 3.734 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCCC(=O)N3)c2)cc1 ZINC000886485862 901068236 /nfs/dbraw/zinc/06/82/36/901068236.db2.gz FZCOMWAHSCRPAL-LJQANCHMSA-N -1 3 388.489 3.616 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3cncn3Cc3ccccc3)[nH][n-]2)c1 ZINC000574946733 901068345 /nfs/dbraw/zinc/06/83/45/901068345.db2.gz VNHUZBQRVNGIND-UHFFFAOYSA-N -1 3 385.471 3.541 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2nc(-c3cccs3)oc2C)n[nH]1 ZINC000047107849 901374355 /nfs/dbraw/zinc/37/43/55/901374355.db2.gz BGBHLXZMYTZZRM-UHFFFAOYSA-N -1 3 381.417 3.758 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c(=O)[n-]1 ZINC000290149502 914547265 /nfs/dbraw/zinc/54/72/65/914547265.db2.gz PUZSKPUVYOOUCD-NSHDSACASA-N -1 3 383.370 3.700 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)Nc2ccc(F)c([O-])c2)CC1 ZINC001186426653 914549356 /nfs/dbraw/zinc/54/93/56/914549356.db2.gz TXDLOMGKAFDCOD-UHFFFAOYSA-N -1 3 388.386 3.752 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000576285405 901912068 /nfs/dbraw/zinc/91/20/68/901912068.db2.gz GJSRLIPWQKWIHF-YLJYHZDGSA-N -1 3 380.488 3.659 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000845312116 902065024 /nfs/dbraw/zinc/06/50/24/902065024.db2.gz MQZBCKGNHLBCNJ-HUUCEWRRSA-N -1 3 396.365 3.640 20 0 GHADHM CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144550733 902363280 /nfs/dbraw/zinc/36/32/80/902363280.db2.gz WVBDWRCSOHNWRT-HNNXBMFYSA-N -1 3 392.446 3.519 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144561642 902377951 /nfs/dbraw/zinc/37/79/51/902377951.db2.gz KQBGEVWFYGQNRZ-PMACEKPBSA-N -1 3 375.415 3.982 20 0 GHADHM CNC(=O)c1cccc(Oc2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2)c1 ZINC001144631571 902537569 /nfs/dbraw/zinc/53/75/69/902537569.db2.gz UKKGUGAKPJZZAC-UHFFFAOYSA-N -1 3 394.402 3.864 20 0 GHADHM Cc1ncccc1OC[C@@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000577165588 902557401 /nfs/dbraw/zinc/55/74/01/902557401.db2.gz NKKKGYGQTXGGEH-HNNXBMFYSA-N -1 3 390.443 3.828 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1SC(F)(F)F ZINC000047864289 902558611 /nfs/dbraw/zinc/55/86/11/902558611.db2.gz RGTFRGLGLLZZHK-UHFFFAOYSA-N -1 3 399.394 3.556 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)C1 ZINC001144651535 902559231 /nfs/dbraw/zinc/55/92/31/902559231.db2.gz VFALQWZJNQSJLF-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000846234016 902807396 /nfs/dbraw/zinc/80/73/96/902807396.db2.gz GXDSVBQQFUDWCD-NRFANRHFSA-N -1 3 392.455 3.985 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000846243644 902819318 /nfs/dbraw/zinc/81/93/18/902819318.db2.gz GACPRLSZWJYNDB-GSXXRBPTSA-N -1 3 381.428 3.729 20 0 GHADHM COc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1Br ZINC000846280588 902843885 /nfs/dbraw/zinc/84/38/85/902843885.db2.gz NMYQLVZBGFWIBT-UHFFFAOYSA-N -1 3 394.265 3.553 20 0 GHADHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cc2C1 ZINC000577670572 903031168 /nfs/dbraw/zinc/03/11/68/903031168.db2.gz XCTNLJWODBIFGW-UHFFFAOYSA-N -1 3 386.517 3.928 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)c3c(C)noc3C)c2)n1 ZINC000131151433 903063316 /nfs/dbraw/zinc/06/33/16/903063316.db2.gz HXXWOZDUOYGTNS-GFCCVEGCSA-N -1 3 380.448 3.736 20 0 GHADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cs1 ZINC000577784339 903186407 /nfs/dbraw/zinc/18/64/07/903186407.db2.gz XGGUHHLLSSRKAR-QMMMGPOBSA-N -1 3 398.403 3.783 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2NC[C@H](C)N1CCc2sccc2C1 ZINC000577955527 903381780 /nfs/dbraw/zinc/38/17/80/903381780.db2.gz WSMDUDJAURJEGY-ZDUSSCGKSA-N -1 3 397.500 3.862 20 0 GHADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4[nH][n-]c(=O)c4c3)n2)cc1 ZINC000646605292 914713061 /nfs/dbraw/zinc/71/30/61/914713061.db2.gz NOHKQLXBUQPVMS-UHFFFAOYSA-N -1 3 393.428 3.603 20 0 GHADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000577995407 903424880 /nfs/dbraw/zinc/42/48/80/903424880.db2.gz WCWPKUKHUWWJQR-APWZRJJASA-N -1 3 377.444 3.760 20 0 GHADHM CN(C(=O)c1cc([O-])cc(Br)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC001146538062 903557360 /nfs/dbraw/zinc/55/73/60/903557360.db2.gz ICSKGHDNLYPWNY-KRWDZBQOSA-N -1 3 389.293 3.896 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC001146713377 903590580 /nfs/dbraw/zinc/59/05/80/903590580.db2.gz ZKRBTMLGUIPSLL-GASCZTMLSA-N -1 3 376.497 3.986 20 0 GHADHM O=C([N-]c1csc(Cc2cccc(Br)c2)n1)c1csnn1 ZINC001146810930 903605429 /nfs/dbraw/zinc/60/54/29/903605429.db2.gz LAFNAKXHIJAAAY-UHFFFAOYSA-N -1 3 381.280 3.600 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)C2=CCCC2)c1 ZINC000578318355 903730462 /nfs/dbraw/zinc/73/04/62/903730462.db2.gz YVCCEFHYQDFSLX-UHFFFAOYSA-N -1 3 383.448 3.807 20 0 GHADHM CCC(F)(F)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001147542275 903816770 /nfs/dbraw/zinc/81/67/70/903816770.db2.gz YXLNYZDGHXDSDE-UHFFFAOYSA-N -1 3 396.459 3.879 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2c(C)cnn2Cc2ccc(OC)c(OC)c2)c1 ZINC000578458831 903860857 /nfs/dbraw/zinc/86/08/57/903860857.db2.gz JTQDQDGMDMGFPW-UHFFFAOYSA-N -1 3 395.459 3.777 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1sc2cc(F)ccc2c1Cl ZINC001147992679 903946875 /nfs/dbraw/zinc/94/68/75/903946875.db2.gz LNMHPALQDHJUSK-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1sc2cc(F)ccc2c1Cl ZINC001147992679 903946883 /nfs/dbraw/zinc/94/68/83/903946883.db2.gz LNMHPALQDHJUSK-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM CC(C)c1cc(Br)ccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000887928389 904010595 /nfs/dbraw/zinc/01/05/95/904010595.db2.gz GVCCURVHDBENAJ-UHFFFAOYSA-N -1 3 397.298 3.679 20 0 GHADHM Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)c([O-])c1 ZINC001148498396 904098000 /nfs/dbraw/zinc/09/80/00/904098000.db2.gz GBGHHGOGTCSTPO-OAQYLSRUSA-N -1 3 384.501 3.531 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(Cc4cccc(O)c4)CC3)c2c1 ZINC000578753386 904099726 /nfs/dbraw/zinc/09/97/26/904099726.db2.gz UCOJNYRNTCDZRM-UHFFFAOYSA-N -1 3 391.471 3.578 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000153764857 904395515 /nfs/dbraw/zinc/39/55/15/904395515.db2.gz IHWITDVERVTTCA-OAHLLOKOSA-N -1 3 382.508 3.645 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)s1 ZINC000290787968 914820333 /nfs/dbraw/zinc/82/03/33/914820333.db2.gz XCNZBYZZTGMGEY-AAEUAGOBSA-N -1 3 391.459 3.526 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000773231053 904596758 /nfs/dbraw/zinc/59/67/58/904596758.db2.gz GSVYGQHJSMZXME-UHFFFAOYSA-N -1 3 392.868 3.509 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]CC2(c3cccc(OC)c3)CCCC2)s1 ZINC001186809526 914826096 /nfs/dbraw/zinc/82/60/96/914826096.db2.gz AWFSOKDCZKBIME-UHFFFAOYSA-N -1 3 380.535 3.504 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000579553639 904697397 /nfs/dbraw/zinc/69/73/97/904697397.db2.gz AHGPXUCSKKPXSV-WOJBJXKFSA-N -1 3 392.499 3.697 20 0 GHADHM O=c1[n-]c(NC[C@H]2CCC(=O)N(Cc3ccccc3)C2)c(Cl)cc1Cl ZINC001171520547 904795623 /nfs/dbraw/zinc/79/56/23/904795623.db2.gz AWZZDYHQDYFYRH-CYBMUJFWSA-N -1 3 380.275 3.945 20 0 GHADHM CCOC(=O)[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCCCCC1 ZINC001171621300 904885857 /nfs/dbraw/zinc/88/58/57/904885857.db2.gz YEEBOXACWCNZDO-HXUWFJFHSA-N -1 3 383.492 3.841 20 0 GHADHM O=C(CC1CCCCC1)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000646790722 914853703 /nfs/dbraw/zinc/85/37/03/914853703.db2.gz YDROCBPWJDYRPP-UHFFFAOYSA-N -1 3 398.425 3.666 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000188431692 904922081 /nfs/dbraw/zinc/92/20/81/904922081.db2.gz FDZYZCMUDMHYGU-GHRIWEEISA-N -1 3 396.874 3.817 20 0 GHADHM Cc1noc(Cl)c1CCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000188921371 905007362 /nfs/dbraw/zinc/00/73/62/905007362.db2.gz MZQKAKFMLOVTEW-UHFFFAOYSA-N -1 3 391.624 3.719 20 0 GHADHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000626732032 905244656 /nfs/dbraw/zinc/24/46/56/905244656.db2.gz IYMCJEFQJXIFKZ-KRWDZBQOSA-N -1 3 392.293 3.922 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000901469326 921137552 /nfs/dbraw/zinc/13/75/52/921137552.db2.gz SZZGPPWLGNZSAX-GOSISDBHSA-N -1 3 398.297 3.543 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000176128653 905762490 /nfs/dbraw/zinc/76/24/90/905762490.db2.gz HQLPGQDFRUPPDN-UHFFFAOYSA-N -1 3 387.505 3.902 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccnc3c(Br)cccc13)CC2 ZINC000901498692 921174513 /nfs/dbraw/zinc/17/45/13/921174513.db2.gz DDOQAXMURGQHIP-CQSZACIVSA-N -1 3 375.266 3.684 20 0 GHADHM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000627923341 905838679 /nfs/dbraw/zinc/83/86/79/905838679.db2.gz ZCCGRIBFRVCYPC-DIFFPNOSSA-N -1 3 394.240 3.896 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C)c2ccccc2F)cc1 ZINC000779272138 905966514 /nfs/dbraw/zinc/96/65/14/905966514.db2.gz BMPRNODXQJJUBO-CQSZACIVSA-N -1 3 395.452 3.659 20 0 GHADHM O=C(NN=c1[n-]c(Br)cn2ccnc12)c1ccc(C2CCC2)cc1 ZINC000190366002 905999339 /nfs/dbraw/zinc/99/93/39/905999339.db2.gz PFQVGRQJHCAZLT-UHFFFAOYSA-N -1 3 386.253 3.516 20 0 GHADHM C/C(=C/c1ccccc1C(F)(F)F)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524360 921201471 /nfs/dbraw/zinc/20/14/71/921201471.db2.gz GIIBUPRWOKCSRR-UZGISAJGSA-N -1 3 394.397 3.736 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000177192263 906060900 /nfs/dbraw/zinc/06/09/00/906060900.db2.gz JXERARTUNDBVET-ZDUSSCGKSA-N -1 3 386.521 3.740 20 0 GHADHM CCOCCOCc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000179766758 906589695 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GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[n-]n1 ZINC001179076086 909377126 /nfs/dbraw/zinc/37/71/26/909377126.db2.gz POSMBITWULWXPF-UHFFFAOYSA-N -1 3 375.734 3.899 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[n-]1 ZINC001179076086 909377145 /nfs/dbraw/zinc/37/71/45/909377145.db2.gz POSMBITWULWXPF-UHFFFAOYSA-N -1 3 375.734 3.899 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)[n-]n1 ZINC001179083217 909377655 /nfs/dbraw/zinc/37/76/55/909377655.db2.gz YMCOPZRROXPYJX-BQYQJAHWSA-N -1 3 383.326 3.525 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2OC(F)(F)F)n[n-]1 ZINC001179083217 909377669 /nfs/dbraw/zinc/37/76/69/909377669.db2.gz YMCOPZRROXPYJX-BQYQJAHWSA-N -1 3 383.326 3.525 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179177151 909414981 /nfs/dbraw/zinc/41/49/81/909414981.db2.gz QXFYHUMBENUOPU-QMMMGPOBSA-N -1 3 376.766 3.757 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000636110844 909431118 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GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1CCC(F)(F)F ZINC000636321265 909542187 /nfs/dbraw/zinc/54/21/87/909542187.db2.gz ZFLHTBWXFXRAKW-UHFFFAOYSA-N -1 3 379.382 3.875 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)c2ccc3ncsc3c2)[n-]n1 ZINC001179948665 909822481 /nfs/dbraw/zinc/82/24/81/909822481.db2.gz GDODXGZDKOIVFJ-UHFFFAOYSA-N -1 3 378.413 3.629 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)c2ccc3ncsc3c2)n[n-]1 ZINC001179948665 909822496 /nfs/dbraw/zinc/82/24/96/909822496.db2.gz GDODXGZDKOIVFJ-UHFFFAOYSA-N -1 3 378.413 3.629 20 0 GHADHM O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948534 909822737 /nfs/dbraw/zinc/82/27/37/909822737.db2.gz BIRITJPYXCZCDN-UHFFFAOYSA-N -1 3 387.798 3.740 20 0 GHADHM O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179948534 909822748 /nfs/dbraw/zinc/82/27/48/909822748.db2.gz BIRITJPYXCZCDN-UHFFFAOYSA-N -1 3 387.798 3.740 20 0 GHADHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1nc2ccccc2n1C(F)F ZINC000268379645 909855996 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CCC(CC)n1nc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1C ZINC001179955005 909866645 /nfs/dbraw/zinc/86/66/45/909866645.db2.gz QDFXBTDGRISSJA-UHFFFAOYSA-N -1 3 395.463 3.885 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)c12 ZINC001180221144 910020815 /nfs/dbraw/zinc/02/08/15/910020815.db2.gz ASIJAKARILRELV-HDJSIYSDSA-N -1 3 395.463 3.606 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1F)[N-]c1ccc(F)cc1OC1CCOCC1 ZINC000795374986 910081616 /nfs/dbraw/zinc/08/16/16/910081616.db2.gz LROSJDWPFRUZDA-FMIVXFBMSA-N -1 3 395.427 3.935 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@@H](C)c1ccccc1 ZINC000299652292 921549937 /nfs/dbraw/zinc/54/99/37/921549937.db2.gz WDIHBUFAIKTVQM-MRXNPFEDSA-N -1 3 390.487 3.795 20 0 GHADHM NC(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@@H]2CC2(Cl)Cl)o1 ZINC000269519041 910293939 /nfs/dbraw/zinc/29/39/39/910293939.db2.gz WSZXLMHUWMTHKX-VIFPVBQESA-N -1 3 385.272 3.917 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)C1CCCC1 ZINC000269996505 910402518 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Cc1cc(C)c2c(c1)CN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)CC2 ZINC000640296787 910958609 /nfs/dbraw/zinc/95/86/09/910958609.db2.gz QRJOJDAPIJKGGI-UHFFFAOYSA-N -1 3 386.805 3.728 20 0 GHADHM CCCN(C(=O)N=c1[n-]n(C)cc1Br)[C@H](C)c1ccccc1OC ZINC000640309780 910963599 /nfs/dbraw/zinc/96/35/99/910963599.db2.gz PCRBLRQIHLHBMW-GFCCVEGCSA-N -1 3 395.301 3.618 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2csc3ccccc23)cc1[O-] ZINC000795531579 911011847 /nfs/dbraw/zinc/01/18/47/911011847.db2.gz CUSTZGPVLMAXMA-UHFFFAOYSA-N -1 3 385.397 3.825 20 0 GHADHM Cc1nocc1[N-]C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000640485144 911037936 /nfs/dbraw/zinc/03/79/36/911037936.db2.gz GQZMVNATRTVWRN-UHFFFAOYSA-N -1 3 377.326 3.712 20 0 GHADHM CC(=O)N(CCc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)C(C)C ZINC000273971780 911149888 /nfs/dbraw/zinc/14/98/88/911149888.db2.gz ORIMYABQRQSPBS-UHFFFAOYSA-N -1 3 395.459 3.821 20 0 GHADHM CCC(C)(C)c1nnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000641298361 911377024 /nfs/dbraw/zinc/37/70/24/911377024.db2.gz BVZJRYIDSIZROH-UHFFFAOYSA-N -1 3 392.887 3.971 20 0 GHADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000641600107 911458301 /nfs/dbraw/zinc/45/83/01/911458301.db2.gz XECGOYDIEWZQCJ-UHFFFAOYSA-N -1 3 380.363 3.743 20 0 GHADHM O=S(=O)([N-]c1nn(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000641693440 911484365 /nfs/dbraw/zinc/48/43/65/911484365.db2.gz ZCJPIIUVHVVYGB-CMPLNLGQSA-N -1 3 397.781 3.536 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000641980307 911642958 /nfs/dbraw/zinc/64/29/58/911642958.db2.gz XQEVKHNBMINPKR-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000641980307 911642962 /nfs/dbraw/zinc/64/29/62/911642962.db2.gz XQEVKHNBMINPKR-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000092704433 911723647 /nfs/dbraw/zinc/72/36/47/911723647.db2.gz CKWKMGIUJGAENB-UHFFFAOYSA-N -1 3 378.863 3.788 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3c(Cl)cccc3C(F)(F)F)ccc2N1 ZINC001186931394 914879660 /nfs/dbraw/zinc/87/96/60/914879660.db2.gz GRIZPLDQUPSIRH-UHFFFAOYSA-N -1 3 390.770 3.654 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1ncc(Br)cc1F ZINC000775059946 914895108 /nfs/dbraw/zinc/89/51/08/914895108.db2.gz BLABDRRUASOARG-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM COc1ccc([C@H](O)C2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000290983192 914896466 /nfs/dbraw/zinc/89/64/66/914896466.db2.gz AVHWGZKRVDPZBG-NRFANRHFSA-N -1 3 392.455 3.535 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(F)ccc1Br ZINC001186951355 914915668 /nfs/dbraw/zinc/91/56/68/914915668.db2.gz DRQLHOYLFJPPTC-DMDPSCGWSA-N -1 3 376.291 3.835 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC001186972592 914926066 /nfs/dbraw/zinc/92/60/66/914926066.db2.gz ANPAPLPYOGPEQO-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1ccccc1-c1nnn[n-]1 ZINC001187008081 914937686 /nfs/dbraw/zinc/93/76/86/914937686.db2.gz BPHIMKDZNJUHSA-UHFFFAOYSA-N -1 3 396.454 3.635 20 0 GHADHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1ccccc1-c1nn[n-]n1 ZINC001187008081 914937697 /nfs/dbraw/zinc/93/76/97/914937697.db2.gz BPHIMKDZNJUHSA-UHFFFAOYSA-N -1 3 396.454 3.635 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CC1 ZINC000291126329 914994445 /nfs/dbraw/zinc/99/44/45/914994445.db2.gz YHFZACZPYFVRMR-WMLDXEAASA-N -1 3 397.441 3.546 20 0 GHADHM CN(C(=O)CN1CCC(C)(C(=O)[O-])CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000647373689 915190760 /nfs/dbraw/zinc/19/07/60/915190760.db2.gz MVYZIKLQOKEVKB-OAQYLSRUSA-N -1 3 398.478 3.560 20 0 GHADHM O=C([O-])c1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000647454196 915270443 /nfs/dbraw/zinc/27/04/43/915270443.db2.gz GWXRXGUKAJIHAD-UHFFFAOYSA-N -1 3 377.794 3.650 20 0 GHADHM CON(C[C@H]1CCC[C@H](C)C1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000291844628 915387818 /nfs/dbraw/zinc/38/78/18/915387818.db2.gz NSAXXZDLGXBQAK-RDJZCZTQSA-N -1 3 398.507 3.702 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1csnc1-c1ccccc1 ZINC000647896059 915429552 /nfs/dbraw/zinc/42/95/52/915429552.db2.gz UCAOWDNXOPAJML-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001187674571 915431660 /nfs/dbraw/zinc/43/16/60/915431660.db2.gz IMTFEKPTIKROQV-UHFFFAOYSA-N -1 3 396.403 3.640 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccccc1SC[C@@H](O)C(F)(F)F ZINC001187798576 915518796 /nfs/dbraw/zinc/51/87/96/915518796.db2.gz HOKACBWWMMAQLC-CQSZACIVSA-N -1 3 397.378 3.536 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000292250574 915582644 /nfs/dbraw/zinc/58/26/44/915582644.db2.gz SHWNPRJVMDWLOR-PTAUBWNISA-N -1 3 396.468 3.659 20 0 GHADHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCC(C)(C)C1CC1 ZINC001187936832 915633030 /nfs/dbraw/zinc/63/30/30/915633030.db2.gz BGUKISPBOPDLDA-GOSISDBHSA-N -1 3 395.565 3.685 20 0 GHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1Cl ZINC001187981611 915663432 /nfs/dbraw/zinc/66/34/32/915663432.db2.gz GYMNLSFRORFOHZ-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccccc1)c1ccc(Cl)nc1Cl ZINC001187987405 915666946 /nfs/dbraw/zinc/66/69/46/915666946.db2.gz FKJJKISULNKTDU-UHFFFAOYSA-N -1 3 375.277 3.526 20 0 GHADHM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188041891 915698686 /nfs/dbraw/zinc/69/86/86/915698686.db2.gz YFCWNIYMVCLPDM-UHFFFAOYSA-N -1 3 388.063 3.594 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ncsc2C(F)(F)F)nc1C1CC1 ZINC001188209180 915831005 /nfs/dbraw/zinc/83/10/05/915831005.db2.gz IHXRRQKKFSOUEI-UHFFFAOYSA-N -1 3 391.396 3.925 20 0 GHADHM CC1(CC(F)F)CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000649018495 915990608 /nfs/dbraw/zinc/99/06/08/915990608.db2.gz VDKKQOCEGQUJRO-UHFFFAOYSA-N -1 3 390.308 3.544 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000649167459 916049264 /nfs/dbraw/zinc/04/92/64/916049264.db2.gz SAZYUEMHSDIZIW-ATZCPNFKSA-N -1 3 395.684 3.862 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001188640703 916098920 /nfs/dbraw/zinc/09/89/20/916098920.db2.gz WTNWDTWTYLMXCL-NRFANRHFSA-N -1 3 384.501 3.531 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)Nc2c([O-])cccc2Br)c1 ZINC001188669369 916132353 /nfs/dbraw/zinc/13/23/53/916132353.db2.gz IFLMMVQUEONVAB-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)c2c1 ZINC000649396211 916138736 /nfs/dbraw/zinc/13/87/36/916138736.db2.gz QCWOFADDFSSTQJ-ZMPRRUGASA-N -1 3 384.476 3.713 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)[C@H](C)[C@@H]1OC ZINC001188741094 916170136 /nfs/dbraw/zinc/17/01/36/916170136.db2.gz IEWXQDIRDNGJPI-VUCTXSBTSA-N -1 3 383.485 3.998 20 0 GHADHM COC1(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)CCC1 ZINC000649457833 916176098 /nfs/dbraw/zinc/17/60/98/916176098.db2.gz UDHGCONJQWUTGR-UHFFFAOYSA-N -1 3 376.869 3.836 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC001188886490 916276474 /nfs/dbraw/zinc/27/64/74/916276474.db2.gz SBSDBFSRCZZMPW-UHFFFAOYSA-N -1 3 397.456 3.657 20 0 GHADHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1(C)C ZINC001188967462 916314739 /nfs/dbraw/zinc/31/47/39/916314739.db2.gz AODORZWWRRULPC-JKSUJKDBSA-N -1 3 380.535 3.681 20 0 GHADHM C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293731084 916353736 /nfs/dbraw/zinc/35/37/36/916353736.db2.gz UMFHRAFZHMQKGS-AWEZNQCLSA-N -1 3 387.480 3.754 20 0 GHADHM O=c1[n-]c(SCCc2ccccn2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000649724621 916358970 /nfs/dbraw/zinc/35/89/70/916358970.db2.gz OECMCFMORLULOP-UHFFFAOYSA-N -1 3 383.864 3.904 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc2c1OCC2)c1ccc(Cl)cc1F ZINC001189057050 916374077 /nfs/dbraw/zinc/37/40/77/916374077.db2.gz MHJRWJQSMSQTOY-UHFFFAOYSA-N -1 3 376.236 3.546 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(Br)c2Cl)c1 ZINC001189200975 916458509 /nfs/dbraw/zinc/45/85/09/916458509.db2.gz QDVWSHZQYKHVOE-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCCC2)c1 ZINC001189240074 916486957 /nfs/dbraw/zinc/48/69/57/916486957.db2.gz YCINAVPKTJQKLG-UHFFFAOYSA-N -1 3 376.453 3.819 20 0 GHADHM O=S(=O)([N-]c1ncc(O)cc1Br)c1ccc(F)c2ccccc21 ZINC001189354146 916591819 /nfs/dbraw/zinc/59/18/19/916591819.db2.gz CZCDEQVVGOCPJW-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1nc(C(F)(F)F)ccc1Cl ZINC001189426129 916628287 /nfs/dbraw/zinc/62/82/87/916628287.db2.gz RJFLVKMHJDTZMU-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1 ZINC001189453590 916657513 /nfs/dbraw/zinc/65/75/13/916657513.db2.gz TXLYINDUXWXHHD-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCC1)c1cnc(Cl)c(Cl)c1 ZINC001189456117 916660916 /nfs/dbraw/zinc/66/09/16/916660916.db2.gz GWEDRFVNLNTSJZ-UHFFFAOYSA-N -1 3 389.279 3.971 20 0 GHADHM Cc1nnc(-c2ccc([N-]S(=O)(=O)C3=Cc4ccccc4OCC3)cc2)o1 ZINC000775280114 916808743 /nfs/dbraw/zinc/80/87/43/916808743.db2.gz DTJKJJKVQBLPLQ-UHFFFAOYSA-N -1 3 383.429 3.610 20 0 GHADHM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189649536 916811626 /nfs/dbraw/zinc/81/16/26/916811626.db2.gz REYKPFRUFIYGJC-UHFFFAOYSA-N -1 3 395.214 3.811 20 0 GHADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000361702208 916865428 /nfs/dbraw/zinc/86/54/28/916865428.db2.gz UQFUXQWQWVZJBX-LJQANCHMSA-N -1 3 378.428 3.523 20 0 GHADHM COc1ncccc1[C@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001189774952 916910468 /nfs/dbraw/zinc/91/04/68/916910468.db2.gz KROLFTKLYRIPPI-CQSZACIVSA-N -1 3 382.338 3.576 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc2nsnc2cc1Cl ZINC001189824749 916948584 /nfs/dbraw/zinc/94/85/84/916948584.db2.gz KZOCVBGWBZRCOG-UHFFFAOYSA-N -1 3 375.809 3.565 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1cc(F)cc(C(F)(F)F)c1 ZINC001189957004 917021007 /nfs/dbraw/zinc/02/10/07/917021007.db2.gz IAWHKSMLTSVKAR-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000006465574 917032152 /nfs/dbraw/zinc/03/21/52/917032152.db2.gz DXRXGILCJWSIGQ-JTQLQIEISA-N -1 3 387.417 3.736 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000650505833 917042928 /nfs/dbraw/zinc/04/29/28/917042928.db2.gz RNPRWQCULKSAHD-WOJBJXKFSA-N -1 3 386.536 3.977 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccc(Cl)cn1 ZINC001190228915 917187817 /nfs/dbraw/zinc/18/78/17/917187817.db2.gz PGABHYRFQLMAKP-NSHDSACASA-N -1 3 379.894 3.898 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)C(C)C ZINC001190592964 917435566 /nfs/dbraw/zinc/43/55/66/917435566.db2.gz JBGDJZNNCSXISB-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC001191073823 917739264 /nfs/dbraw/zinc/73/92/64/917739264.db2.gz SKAGOGNLZYKDLV-ZDUSSCGKSA-N -1 3 383.460 3.829 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001191185688 917839447 /nfs/dbraw/zinc/83/94/47/917839447.db2.gz ZIAPRXLFRJJSDW-UHFFFAOYSA-N -1 3 381.501 3.940 20 0 GHADHM COCCOC1CCC(C(=O)Nc2c([O-])ccc(Br)c2C)CC1 ZINC000296238483 918032246 /nfs/dbraw/zinc/03/22/46/918032246.db2.gz XBTULBKOYAKEIR-UHFFFAOYSA-N -1 3 386.286 3.623 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1cc(C)ccc1Cl)OCC ZINC001191673391 918105088 /nfs/dbraw/zinc/10/50/88/918105088.db2.gz VDIBEEHUQWEARD-UHFFFAOYSA-N -1 3 394.859 3.730 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c(C)c1 ZINC001191892994 918283503 /nfs/dbraw/zinc/28/35/03/918283503.db2.gz CPDZCYFEXFLQTQ-UHFFFAOYSA-N -1 3 385.844 3.906 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCCC(C)C)cc2F)c(=O)[n-]1 ZINC000654317439 919010731 /nfs/dbraw/zinc/01/07/31/919010731.db2.gz ZUPVJOLSAVQNKC-UHFFFAOYSA-N -1 3 375.444 3.934 20 0 GHADHM O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1[O-] ZINC000017574457 919505831 /nfs/dbraw/zinc/50/58/31/919505831.db2.gz HCUCPXIHKRACSK-LJQANCHMSA-N -1 3 378.453 3.687 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000119440016 919631584 /nfs/dbraw/zinc/63/15/84/919631584.db2.gz GDWMOXDHLPTCIF-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM O=C([O-])C[C@H](CNCc1c(F)ccc(F)c1Cl)c1ccc2c(c1)CCO2 ZINC000900064493 919793128 /nfs/dbraw/zinc/79/31/28/919793128.db2.gz MAVDZIWVMSIVJM-CYBMUJFWSA-N -1 3 381.806 3.901 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800260535 919798515 /nfs/dbraw/zinc/79/85/15/919798515.db2.gz JTRLDNGBNHQALL-UHFFFAOYSA-N -1 3 399.813 3.661 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800260535 919798529 /nfs/dbraw/zinc/79/85/29/919798529.db2.gz JTRLDNGBNHQALL-UHFFFAOYSA-N -1 3 399.813 3.661 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800260535 919798541 /nfs/dbraw/zinc/79/85/41/919798541.db2.gz JTRLDNGBNHQALL-UHFFFAOYSA-N -1 3 399.813 3.661 20 0 GHADHM COc1cc2c(c(CNCCc3cc4ccc(C(=O)[O-])cc4o3)c1)O[C@H](C)C2 ZINC000900074522 919804817 /nfs/dbraw/zinc/80/48/17/919804817.db2.gz URMRWNILKZYSRW-CYBMUJFWSA-N -1 3 381.428 3.795 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNCCCCC1(C(=O)[O-])CCC1 ZINC000900080808 919816432 /nfs/dbraw/zinc/81/64/32/919816432.db2.gz NAUVHVIYSBUGPI-UHFFFAOYSA-N -1 3 387.929 3.648 20 0 GHADHM COc1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000800487156 920171535 /nfs/dbraw/zinc/17/15/35/920171535.db2.gz BJBOFCDUMHGESH-ZDUSSCGKSA-N -1 3 378.498 3.551 20 0 GHADHM C[C@@H](N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C(C)(C)O ZINC000298138184 920244318 /nfs/dbraw/zinc/24/43/18/920244318.db2.gz LICUGYOLTRVCMI-LLVKDONJSA-N -1 3 375.469 3.794 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)o1 ZINC000800901511 920582405 /nfs/dbraw/zinc/58/24/05/920582405.db2.gz UUJIWGSMXOWBTC-GWCFXTLKSA-N -1 3 379.865 3.664 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3ccsc3)nc(=O)c2c1C ZINC000298728629 920858544 /nfs/dbraw/zinc/85/85/44/920858544.db2.gz GLEUSECJQUSVRG-GFCCVEGCSA-N -1 3 389.502 3.891 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1csc(Br)c1)C1CC1 ZINC000901190234 920905923 /nfs/dbraw/zinc/90/59/23/920905923.db2.gz YQKWTVSCSYMAJA-UHFFFAOYSA-N -1 3 394.294 3.688 20 0 GHADHM O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cc([O-])ccc1Cl ZINC000365620700 921016429 /nfs/dbraw/zinc/01/64/29/921016429.db2.gz FPOGEUPLOONMFL-UHFFFAOYSA-N -1 3 393.834 3.728 20 0 GHADHM Cn1ccnc1[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000365633543 921034025 /nfs/dbraw/zinc/03/40/25/921034025.db2.gz DWQGETGSJBHEPP-CYBMUJFWSA-N -1 3 395.488 3.770 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000801452271 921037058 /nfs/dbraw/zinc/03/70/58/921037058.db2.gz DVWHXYAGLORWQJ-NRFANRHFSA-N -1 3 394.487 3.617 20 0 GHADHM CC(C)c1ccc(OCCNCc2cn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000902143858 921916389 /nfs/dbraw/zinc/91/63/89/921916389.db2.gz VLTUJAOWNIOTCX-UHFFFAOYSA-N -1 3 379.460 3.863 20 0 GHADHM CCc1oc(CNC[C@@H](C)Oc2cccc(Br)c2)cc1C(=O)[O-] ZINC000902316589 922082249 /nfs/dbraw/zinc/08/22/49/922082249.db2.gz KFOCHONRYFHEMX-LLVKDONJSA-N -1 3 382.254 3.860 20 0 GHADHM CCc1oc(CN[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cc1C(=O)[O-] ZINC000902495235 922240301 /nfs/dbraw/zinc/24/03/01/922240301.db2.gz YQRBTUZXAVECHW-XOKHGSTOSA-N -1 3 376.250 3.731 20 0 GHADHM O=C([O-])c1ccc(COc2ccccc2CN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000902528729 922258051 /nfs/dbraw/zinc/25/80/51/922258051.db2.gz SFSCFDBKXWOGJE-RTWAWAEBSA-N -1 3 381.472 3.965 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000368201858 922530541 /nfs/dbraw/zinc/53/05/41/922530541.db2.gz OWZUNSSIDGOPBQ-YEJXKQKISA-N -1 3 383.448 3.593 20 0 GHADHM Cc1noc(C)c1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902853858 922556591 /nfs/dbraw/zinc/55/65/91/922556591.db2.gz NZGHLIDCCCITEM-UHFFFAOYSA-N -1 3 397.731 3.809 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000368451277 922683389 /nfs/dbraw/zinc/68/33/89/922683389.db2.gz VRXHSNIHCVTAJC-LBPRGKRZSA-N -1 3 386.826 3.658 20 0 GHADHM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903673699 923184583 /nfs/dbraw/zinc/18/45/83/923184583.db2.gz DTXNPJKGCWXPIU-KXBFYZLASA-N -1 3 387.549 3.882 20 0 GHADHM O=C([O-])c1cncc(CN2CCC(c3cccc(Br)c3)CC2)c1 ZINC000903899269 923380283 /nfs/dbraw/zinc/38/02/83/923380283.db2.gz WPKCEUGMYLRMLX-UHFFFAOYSA-N -1 3 375.266 3.922 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cncc(OCc3ccccc3)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000903943126 923419367 /nfs/dbraw/zinc/41/93/67/923419367.db2.gz ZPZUEZYNSRGRCE-HJNYFJLDSA-N -1 3 396.487 3.505 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903949310 923431772 /nfs/dbraw/zinc/43/17/72/923431772.db2.gz ADTCXZGMJPBCFW-ZAQLIGFBSA-N -1 3 380.286 3.645 20 0 GHADHM Cc1ccnc(C2CCN(Cc3nc4ccccc4c(C)c3C(=O)[O-])CC2)n1 ZINC000903961258 923438936 /nfs/dbraw/zinc/43/89/36/923438936.db2.gz SNGVTPPLQDJCHE-UHFFFAOYSA-N -1 3 376.460 3.719 20 0 GHADHM O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cc(F)cc(Cl)c1[O-] ZINC000748474174 923659429 /nfs/dbraw/zinc/65/94/29/923659429.db2.gz GYHAHIIDSLOVPY-UHFFFAOYSA-N -1 3 396.733 3.643 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(F)cc(Br)c2)cc1[O-] ZINC000748902660 923910595 /nfs/dbraw/zinc/91/05/95/923910595.db2.gz OHPWXLKIDFWEDJ-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000749158050 924054045 /nfs/dbraw/zinc/05/40/45/924054045.db2.gz RNWPXWMDWSWESI-UHFFFAOYSA-N -1 3 383.260 3.683 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000826772661 924192638 /nfs/dbraw/zinc/19/26/38/924192638.db2.gz YESGEJASBQHVBV-LJQANCHMSA-N -1 3 381.382 3.569 20 0 GHADHM Cc1oc2ncnc([N-]c3nc(-c4cccc(-n5cnnn5)c4)cs3)c2c1C ZINC000677000942 924194412 /nfs/dbraw/zinc/19/44/12/924194412.db2.gz BDGYNHGYQPSKFA-UHFFFAOYSA-N -1 3 390.432 3.682 20 0 GHADHM COc1ccc(-c2n[nH]cc2CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000678130193 924623502 /nfs/dbraw/zinc/62/35/02/924623502.db2.gz JLFPDIUIMZCUTQ-UHFFFAOYSA-N -1 3 391.471 3.886 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000409473007 924672674 /nfs/dbraw/zinc/67/26/74/924672674.db2.gz ABOHZKTUBALPSP-KRWDZBQOSA-N -1 3 379.503 3.745 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000409493212 924692598 /nfs/dbraw/zinc/69/25/98/924692598.db2.gz HVDDAEDMYKUZPA-HNNXBMFYSA-N -1 3 395.349 3.945 20 0 GHADHM Cc1ccc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)c([O-])c1 ZINC001137367556 925061965 /nfs/dbraw/zinc/06/19/65/925061965.db2.gz NTTHNFWZAOCKAV-QFIPXVFZSA-N -1 3 377.440 3.743 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000679459073 925149761 /nfs/dbraw/zinc/14/97/61/925149761.db2.gz AAUBYCKJLPKDLY-INIZCTEOSA-N -1 3 386.452 3.615 20 0 GHADHM COc1cccc([C@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2nccn2C)c1 ZINC000372324838 925337391 /nfs/dbraw/zinc/33/73/91/925337391.db2.gz LVSRNDTXCQJYRN-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)on1 ZINC000410157275 925357542 /nfs/dbraw/zinc/35/75/42/925357542.db2.gz JOIAEUWFCLNJLP-UHFFFAOYSA-N -1 3 378.494 3.770 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000410417078 925619762 /nfs/dbraw/zinc/61/97/62/925619762.db2.gz IXSDJJRKYHXLDV-UHFFFAOYSA-N -1 3 388.489 3.793 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000410413690 925626457 /nfs/dbraw/zinc/62/64/57/925626457.db2.gz MUPOFUPGLKYRGN-CQSZACIVSA-N -1 3 383.473 3.520 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(Cl)c1 ZINC000680856085 925635034 /nfs/dbraw/zinc/63/50/34/925635034.db2.gz VQVXWDFZBRWUOY-UHFFFAOYSA-N -1 3 382.844 3.781 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc3c(c2)CCCC3=O)c(C(=O)OCC)[n-]1 ZINC000410755547 925815407 /nfs/dbraw/zinc/81/54/07/925815407.db2.gz SMJGXAZCSVZJQU-UHFFFAOYSA-N -1 3 383.448 3.700 20 0 GHADHM CC(C)n1cncc1CN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000827626933 925846644 /nfs/dbraw/zinc/84/66/44/925846644.db2.gz JBOCNWQJABTUOX-QZTJIDSGSA-N -1 3 394.441 3.501 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1ccc(Cl)nc1Cl ZINC000725827591 926460321 /nfs/dbraw/zinc/46/03/21/926460321.db2.gz UFUKOPNOUMNXMS-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM CN(Cc1cccc(C(N)=O)c1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725888391 926480353 /nfs/dbraw/zinc/48/03/53/926480353.db2.gz JQTRFQXTXGUROP-UHFFFAOYSA-N -1 3 388.467 3.549 20 0 GHADHM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1ccc(Cl)nc1Cl ZINC000749300108 927042527 /nfs/dbraw/zinc/04/25/27/927042527.db2.gz NYXCDEVXQBBVTL-GFCCVEGCSA-N -1 3 389.329 3.697 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC3CCN(C(=O)OC(C)(C)C)CC3)n[n-]2)o1 ZINC000749338923 927060438 /nfs/dbraw/zinc/06/04/38/927060438.db2.gz ISVPOOLKWRSEMQ-UHFFFAOYSA-N -1 3 389.452 3.782 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC3CCN(C(=O)OC(C)(C)C)CC3)[n-]n2)o1 ZINC000749338923 927060450 /nfs/dbraw/zinc/06/04/50/927060450.db2.gz ISVPOOLKWRSEMQ-UHFFFAOYSA-N -1 3 389.452 3.782 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NC[C@@H](C)c1ccccc1 ZINC000749796226 927274847 /nfs/dbraw/zinc/27/48/47/927274847.db2.gz OGSFIZSOFWRKEW-QZTJIDSGSA-N -1 3 390.483 3.739 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000374754815 927486060 /nfs/dbraw/zinc/48/60/60/927486060.db2.gz XZQZWBLSSLUZPS-FQEVSTJZSA-N -1 3 375.419 3.638 20 0 GHADHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000750218177 927495011 /nfs/dbraw/zinc/49/50/11/927495011.db2.gz QJMYLTQRTCTSBT-SECBINFHSA-N -1 3 394.301 3.638 20 0 GHADHM Cc1[nH]nc2nc(C)cc(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)c12 ZINC000750614922 927753640 /nfs/dbraw/zinc/75/36/40/927753640.db2.gz BLIYBYBWQLOGGE-JTQLQIEISA-N -1 3 397.460 3.820 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000750720918 927813641 /nfs/dbraw/zinc/81/36/41/927813641.db2.gz CWTWSAQFVLMAEJ-GFCCVEGCSA-N -1 3 385.445 3.849 20 0 GHADHM O=c1cc(CSc2nnc(COc3ccc(Cl)cc3)o2)nc(C2CC2)[n-]1 ZINC000412979534 928062995 /nfs/dbraw/zinc/06/29/95/928062995.db2.gz ASCBLHBGUXLHLA-UHFFFAOYSA-N -1 3 390.852 3.967 20 0 GHADHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000751222968 928078663 /nfs/dbraw/zinc/07/86/63/928078663.db2.gz QYBYHXDBFCEFEZ-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H]3CCCc4ccccc43)[n-]c(=O)c12 ZINC000412989610 928080294 /nfs/dbraw/zinc/08/02/94/928080294.db2.gz GGXIIFMDWPOEPC-OAHLLOKOSA-N -1 3 381.457 3.995 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1Cl)c1cc(Cl)ccc1Cl ZINC000751441392 928195538 /nfs/dbraw/zinc/19/55/38/928195538.db2.gz OUISFGXDVANLBH-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1c(F)cccc1F ZINC000751469344 928207032 /nfs/dbraw/zinc/20/70/32/928207032.db2.gz XZWLJEHCISAHLA-LRDDRELGSA-N -1 3 393.814 3.548 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751485636 928216411 /nfs/dbraw/zinc/21/64/11/928216411.db2.gz IFMUCEDGPSGHFE-RFAUZJTJSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543998123 928667012 /nfs/dbraw/zinc/66/70/12/928667012.db2.gz JKPCDMBROQCIJE-UHFFFAOYSA-N -1 3 393.303 3.567 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2Cl)C(C)C)ccc1F ZINC000752415382 928816103 /nfs/dbraw/zinc/81/61/03/928816103.db2.gz KLYGZPVNKCCQTO-KRWDZBQOSA-N -1 3 398.887 3.514 20 0 GHADHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cc(Cl)ccc1Cl ZINC000752526508 928866631 /nfs/dbraw/zinc/86/66/31/928866631.db2.gz RQMODRCMFZCIIB-ZANVPECISA-N -1 3 382.309 3.562 20 0 GHADHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1cc(Cl)ccc1Cl ZINC000752526492 928866771 /nfs/dbraw/zinc/86/67/71/928866771.db2.gz RQMODRCMFZCIIB-NOZJJQNGSA-N -1 3 382.309 3.562 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)c(=O)[n-]1 ZINC000544245701 928974617 /nfs/dbraw/zinc/97/46/17/928974617.db2.gz PTWKCVRUBAGNBT-LJQANCHMSA-N -1 3 396.878 3.927 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2cccc(F)c2)CC1 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-1 3 388.489 3.710 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000561227493 933976074 /nfs/dbraw/zinc/97/60/74/933976074.db2.gz DXPDDFVCKNCDNB-MRXNPFEDSA-N -1 3 397.258 3.511 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-n4cnc(C)c4C)cc3)cc2o1 ZINC001117690932 933984446 /nfs/dbraw/zinc/98/44/46/933984446.db2.gz GKMMIIIQIPULQC-UHFFFAOYSA-N -1 3 382.445 3.740 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000561302826 934037084 /nfs/dbraw/zinc/03/70/84/934037084.db2.gz HJFNNWSXTFLMKV-ZALBZXLWSA-N -1 3 398.297 3.848 20 0 GHADHM CC(C)n1ncc2cc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c(Cl)nc21 ZINC001118517292 934184660 /nfs/dbraw/zinc/18/46/60/934184660.db2.gz XTZXUXWEFSPDSZ-LBPRGKRZSA-N -1 3 392.809 3.799 20 0 GHADHM CCCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931043376 934349644 /nfs/dbraw/zinc/34/96/44/934349644.db2.gz RDFWPEOZJBEFNW-MRXNPFEDSA-N -1 3 383.496 3.659 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC[C@@H]1CCOC1 ZINC000828723942 934561456 /nfs/dbraw/zinc/56/14/56/934561456.db2.gz HIFPKVMOKUKJSO-UTKZUKDTSA-N -1 3 397.471 3.613 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000562296160 934810314 /nfs/dbraw/zinc/81/03/14/934810314.db2.gz BYTWCMSRXJNFON-MRXNPFEDSA-N -1 3 385.265 3.888 20 0 GHADHM Cc1cc(C)nc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC001137666589 935690320 /nfs/dbraw/zinc/69/03/20/935690320.db2.gz GOZFDOHXRRTNKP-UHFFFAOYSA-N -1 3 377.322 3.691 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c([O-])c1 ZINC001137938029 935880328 /nfs/dbraw/zinc/88/03/28/935880328.db2.gz RYZXPXSHDYRLDI-URLQWDBASA-N -1 3 377.481 3.985 20 0 GHADHM COc1ccc(F)c([N-]C(=O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1 ZINC000829940949 935884052 /nfs/dbraw/zinc/88/40/52/935884052.db2.gz SZADVIDHVFPSLD-UHFFFAOYSA-N -1 3 393.415 3.834 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)cc1OCC ZINC000830018657 935890888 /nfs/dbraw/zinc/89/08/88/935890888.db2.gz QIFRHHFSQMOWJT-UHFFFAOYSA-N -1 3 391.276 3.987 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC001138016511 935929610 /nfs/dbraw/zinc/92/96/10/935929610.db2.gz NZRQEDFIMHFJHB-CYBMUJFWSA-N -1 3 399.285 3.883 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])c1 ZINC000908884003 939344896 /nfs/dbraw/zinc/34/48/96/939344896.db2.gz GVQYMMMMFFANSQ-YYWHXJBOSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1ccccc1C[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573279219 946635803 /nfs/dbraw/zinc/63/58/03/946635803.db2.gz FTKUFOOEKKDQIA-AWEZNQCLSA-N -1 3 399.296 3.626 20 0 GHADHM Brc1ccccc1C[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573279219 946635810 /nfs/dbraw/zinc/63/58/10/946635810.db2.gz FTKUFOOEKKDQIA-AWEZNQCLSA-N -1 3 399.296 3.626 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001573363073 947707951 /nfs/dbraw/zinc/70/79/51/947707951.db2.gz BADRSAHLHZXHOT-KAMYIIQDSA-N -1 3 381.867 3.625 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001573363073 947707961 /nfs/dbraw/zinc/70/79/61/947707961.db2.gz BADRSAHLHZXHOT-KAMYIIQDSA-N -1 3 381.867 3.625 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001573366427 947739678 /nfs/dbraw/zinc/73/96/78/947739678.db2.gz PXWIDLAHZZSGBK-ACCUITESSA-N -1 3 379.851 3.903 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573366427 947739685 /nfs/dbraw/zinc/73/96/85/947739685.db2.gz PXWIDLAHZZSGBK-ACCUITESSA-N -1 3 379.851 3.903 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC001573728339 948560892 /nfs/dbraw/zinc/56/08/92/948560892.db2.gz DJUPKSLRFDAYCS-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC001573728339 948560901 /nfs/dbraw/zinc/56/09/01/948560901.db2.gz DJUPKSLRFDAYCS-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001574087756 948897117 /nfs/dbraw/zinc/89/71/17/948897117.db2.gz AHTNHYGEBVVNBK-SIKLNZKXSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001574087756 948897127 /nfs/dbraw/zinc/89/71/27/948897127.db2.gz AHTNHYGEBVVNBK-SIKLNZKXSA-N -1 3 391.475 3.610 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575502858 949031877 /nfs/dbraw/zinc/03/18/77/949031877.db2.gz LEYCXJQYBHQAHS-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575502858 949031897 /nfs/dbraw/zinc/03/18/97/949031897.db2.gz LEYCXJQYBHQAHS-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1ccc2ncsc2c1 ZINC001575504299 949068317 /nfs/dbraw/zinc/06/83/17/949068317.db2.gz PQUAUSLCJWPNLP-LLVKDONJSA-N -1 3 379.449 3.701 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1ccc2ncsc2c1 ZINC001575504299 949068326 /nfs/dbraw/zinc/06/83/26/949068326.db2.gz PQUAUSLCJWPNLP-LLVKDONJSA-N -1 3 379.449 3.701 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1ccc2ncsc2c1 ZINC001575504301 949071202 /nfs/dbraw/zinc/07/12/02/949071202.db2.gz PQUAUSLCJWPNLP-NSHDSACASA-N -1 3 379.449 3.701 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1ccc2ncsc2c1 ZINC001575504301 949071224 /nfs/dbraw/zinc/07/12/24/949071224.db2.gz PQUAUSLCJWPNLP-NSHDSACASA-N -1 3 379.449 3.701 20 0 GHADHM C[C@H](c1ccccc1)n1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC001575517834 949240239 /nfs/dbraw/zinc/24/02/39/949240239.db2.gz YVSBQLNPXSQZGL-GFCCVEGCSA-N -1 3 393.838 3.578 20 0 GHADHM C[C@H](c1ccccc1)n1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC001575517834 949240259 /nfs/dbraw/zinc/24/02/59/949240259.db2.gz YVSBQLNPXSQZGL-GFCCVEGCSA-N -1 3 393.838 3.578 20 0 GHADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001575856310 949243682 /nfs/dbraw/zinc/24/36/82/949243682.db2.gz DYPCTKDUQNJTIK-UHFFFAOYSA-N -1 3 388.475 3.986 20 0 GHADHM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001575856310 949243702 /nfs/dbraw/zinc/24/37/02/949243702.db2.gz DYPCTKDUQNJTIK-UHFFFAOYSA-N -1 3 388.475 3.986 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001576157193 949473824 /nfs/dbraw/zinc/47/38/24/949473824.db2.gz ZCMURTGEZIQGKA-KBXCAEBGSA-N -1 3 376.464 3.919 20 0 GHADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC001573828321 949934057 /nfs/dbraw/zinc/93/40/57/949934057.db2.gz QLLPSNJBAOYMSR-CQSZACIVSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC001573828321 949934070 /nfs/dbraw/zinc/93/40/70/949934070.db2.gz QLLPSNJBAOYMSR-CQSZACIVSA-N -1 3 396.520 3.655 20 0 GHADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCc2ccccc21 ZINC001575614951 950562177 /nfs/dbraw/zinc/56/21/77/950562177.db2.gz WPBYVIGFVDEGFX-HXUWFJFHSA-N -1 3 379.489 3.650 20 0 GHADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCc2ccccc21 ZINC001575614951 950562190 /nfs/dbraw/zinc/56/21/90/950562190.db2.gz WPBYVIGFVDEGFX-HXUWFJFHSA-N -1 3 379.489 3.650 20 0 GHADHM CC1(C)C(C)(C)C1(C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001575622581 950641161 /nfs/dbraw/zinc/64/11/61/950641161.db2.gz DAKACAVRZDYZKZ-UHFFFAOYSA-N -1 3 398.389 3.712 20 0 GHADHM CC1(C)C(C)(C)C1(C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001575622581 950641175 /nfs/dbraw/zinc/64/11/75/950641175.db2.gz DAKACAVRZDYZKZ-UHFFFAOYSA-N -1 3 398.389 3.712 20 0 GHADHM C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCCC(C)(C)C)C1 ZINC001576214076 950658633 /nfs/dbraw/zinc/65/86/33/950658633.db2.gz MMZWGJYELBPHSJ-OAHLLOKOSA-N -1 3 394.527 3.798 20 0 GHADHM C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCCC(C)(C)C)C1 ZINC001576214076 950658656 /nfs/dbraw/zinc/65/86/56/950658656.db2.gz MMZWGJYELBPHSJ-OAHLLOKOSA-N -1 3 394.527 3.798 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574519730 950695131 /nfs/dbraw/zinc/69/51/31/950695131.db2.gz HVDVZMHWSQXFNR-AWEZNQCLSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574519730 950695142 /nfs/dbraw/zinc/69/51/42/950695142.db2.gz HVDVZMHWSQXFNR-AWEZNQCLSA-N -1 3 396.470 3.561 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001573881774 950756589 /nfs/dbraw/zinc/75/65/89/950756589.db2.gz HOBRELOMQODEQL-UHFFFAOYSA-N -1 3 393.516 3.846 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001573881774 950756606 /nfs/dbraw/zinc/75/66/06/950756606.db2.gz HOBRELOMQODEQL-UHFFFAOYSA-N -1 3 393.516 3.846 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)C3(C(C)(F)F)CC3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576217420 950762070 /nfs/dbraw/zinc/76/20/70/950762070.db2.gz NPLWXHUHLBZOTQ-IUCAKERBSA-N -1 3 381.452 3.988 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)C3(C(C)(F)F)CC3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576217420 950762080 /nfs/dbraw/zinc/76/20/80/950762080.db2.gz NPLWXHUHLBZOTQ-IUCAKERBSA-N -1 3 381.452 3.988 20 0 GHADHM CC1(C)C[C@@]1(C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001575641434 950919431 /nfs/dbraw/zinc/91/94/31/950919431.db2.gz QBBZNHCYGRNDNM-XXBNENTESA-N -1 3 387.487 3.728 20 0 GHADHM CC1(C)C[C@@]1(C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001575641434 950919443 /nfs/dbraw/zinc/91/94/43/950919443.db2.gz QBBZNHCYGRNDNM-XXBNENTESA-N -1 3 387.487 3.728 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001575184732 952423338 /nfs/dbraw/zinc/42/33/38/952423338.db2.gz BIMSRWSXFDQVLF-IAGOWNOFSA-N -1 3 381.524 3.864 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001575184732 952423342 /nfs/dbraw/zinc/42/33/42/952423342.db2.gz BIMSRWSXFDQVLF-IAGOWNOFSA-N -1 3 381.524 3.864 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001575188101 952445885 /nfs/dbraw/zinc/44/58/85/952445885.db2.gz HOLANKYSUSHKFF-AWEZNQCLSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001575188101 952445889 /nfs/dbraw/zinc/44/58/89/952445889.db2.gz HOLANKYSUSHKFF-AWEZNQCLSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC001575189314 952454905 /nfs/dbraw/zinc/45/49/05/952454905.db2.gz ODNWXOJYZYFBDL-LBPRGKRZSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC001575189314 952454910 /nfs/dbraw/zinc/45/49/10/952454910.db2.gz ODNWXOJYZYFBDL-LBPRGKRZSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001575191497 952467066 /nfs/dbraw/zinc/46/70/66/952467066.db2.gz XJWHOJVLAIPBOS-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM CC(C)(C)OC(=O)N(CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001588675949 960545936 /nfs/dbraw/zinc/54/59/36/960545936.db2.gz ZVOKRMZNOKMRIQ-KRWDZBQOSA-N -1 3 376.497 3.706 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)N(C)C)cc1 ZINC001588906041 962273256 /nfs/dbraw/zinc/27/32/56/962273256.db2.gz GYCVZYIKCUBCCD-SFHVURJKSA-N -1 3 388.552 3.741 20 0 GHADHM O=C([O-])[C@]1(NC(=O)c2ccc3sccc3c2)CCCN(Cc2ccccc2)C1 ZINC001349875877 962486260 /nfs/dbraw/zinc/48/62/60/962486260.db2.gz VBQMFHWXZYMBTJ-QFIPXVFZSA-N -1 3 394.496 3.751 20 0 GHADHM C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ncc(C(=O)[O-])s1 ZINC000314674837 963788521 /nfs/dbraw/zinc/78/85/21/963788521.db2.gz QIQFQHRKZDVKFT-DGCLKSJQSA-N -1 3 383.514 3.528 20 0 GHADHM CC(C)OCCN1CCC(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001591724993 975676766 /nfs/dbraw/zinc/67/67/66/975676766.db2.gz SCTYITMQLUTOKA-UHFFFAOYSA-N -1 3 399.491 3.549 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591871386 976209242 /nfs/dbraw/zinc/20/92/42/976209242.db2.gz AIAQTVBMFUKARA-PMVMPFDFSA-N -1 3 394.515 3.663 20 0 GHADHM COc1ccc(C(C)(C)CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001625908033 1014365645 /nfs/dbraw/zinc/36/56/45/1014365645.db2.gz MCDRJWIGAUZBRC-UHFFFAOYSA-N -1 3 378.266 3.871 20 0 GHADHM CCc1cc2c(CC(=O)Nc3cccc(Cc4nnn[n-]4)c3)csc2s1 ZINC001625916245 1014373549 /nfs/dbraw/zinc/37/35/49/1014373549.db2.gz JNXZLNMTKPSXNL-UHFFFAOYSA-N -1 3 383.502 3.810 20 0 GHADHM CCc1cc2c(CC(=O)Nc3cccc(Cc4nn[n-]n4)c3)csc2s1 ZINC001625916245 1014373562 /nfs/dbraw/zinc/37/35/62/1014373562.db2.gz JNXZLNMTKPSXNL-UHFFFAOYSA-N -1 3 383.502 3.810 20 0 GHADHM C[C@H](CN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1)C(=O)[O-] ZINC001592604496 978543659 /nfs/dbraw/zinc/54/36/59/978543659.db2.gz DJSKVOCSLDBQRM-QGZVFWFLSA-N -1 3 381.451 3.793 20 0 GHADHM CC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@H]1CCCCO1 ZINC001595287026 980366141 /nfs/dbraw/zinc/36/61/41/980366141.db2.gz KYFYVLYKCIXNOQ-ZIAGYGMSSA-N -1 3 389.279 3.567 20 0 GHADHM CC[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595299791 980430973 /nfs/dbraw/zinc/43/09/73/980430973.db2.gz FPUDOGVTRVNYJI-VQTJNVASSA-N -1 3 382.460 3.743 20 0 GHADHM CCC(C)(C)N1CCN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001594804394 981901857 /nfs/dbraw/zinc/90/18/57/981901857.db2.gz FLPQIQPNIFMTFB-UHFFFAOYSA-N -1 3 375.494 3.938 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CCN(C)C)c3ccccc3)n2)cc1 ZINC001626038360 1014818572 /nfs/dbraw/zinc/81/85/72/1014818572.db2.gz BFGGWEYYAMWOFY-UHFFFAOYSA-N -1 3 392.503 3.910 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001595836702 982743458 /nfs/dbraw/zinc/74/34/58/982743458.db2.gz JWUGCHRAURQXNC-KRWDZBQOSA-N -1 3 393.871 3.514 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN(C(=O)c3c([O-])cccc3OC)CC2)c1 ZINC001626096422 1014879509 /nfs/dbraw/zinc/87/95/09/1014879509.db2.gz KYVDKAZAOKGTAC-UHFFFAOYSA-N -1 3 389.423 3.519 20 0 GHADHM CCCc1ccc([C@@H](NCC(=O)Nc2nc(CC(=O)[O-])cs2)C(C)C)cc1 ZINC001596063421 983375100 /nfs/dbraw/zinc/37/51/00/983375100.db2.gz XMYQQAMVYRZGBH-IBGZPJMESA-N -1 3 389.521 3.648 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1C)c1cccc(OC)c1 ZINC001596254740 983664844 /nfs/dbraw/zinc/66/48/44/983664844.db2.gz ZBHNWOIWLSRCJG-FQEVSTJZSA-N -1 3 399.491 3.906 20 0 GHADHM CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001596442618 984138787 /nfs/dbraw/zinc/13/87/87/984138787.db2.gz 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C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001589513226 987156381 /nfs/dbraw/zinc/15/63/81/987156381.db2.gz PQJHYCCXGMZMOQ-FTRWYGJKSA-N -1 3 381.476 3.517 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001597257802 987264192 /nfs/dbraw/zinc/26/41/92/987264192.db2.gz ANSFALLYESAIJF-FPMFFAJLSA-N -1 3 396.578 3.773 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2F)N(C)C)cc1 ZINC001599812499 988361819 /nfs/dbraw/zinc/36/18/19/988361819.db2.gz YLVBFVRDOWFNQT-QGZVFWFLSA-N -1 3 391.468 3.670 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1ccsc1C(=O)[O-])C2 ZINC001590026261 989025787 /nfs/dbraw/zinc/02/57/87/989025787.db2.gz SXQVHAGOOQSBLL-IBGZPJMESA-N -1 3 380.510 3.812 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNCc1ccoc1C(=O)[O-] ZINC001590085128 989200540 /nfs/dbraw/zinc/20/05/40/989200540.db2.gz RDOWHAMFONOFAZ-QGZVFWFLSA-N -1 3 386.448 3.602 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1ccc(C(=O)[O-])c(F)c1)C2 ZINC001590215578 989585452 /nfs/dbraw/zinc/58/54/52/989585452.db2.gz IZCRWDLYSDWDPC-BTYIYWSLSA-N -1 3 392.471 3.651 20 0 GHADHM CC(C)(C)c1cccc(OCCCN2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])c1 ZINC001590499020 990111314 /nfs/dbraw/zinc/11/13/14/990111314.db2.gz OLITXLKLJZNNEP-OAQYLSRUSA-N -1 3 383.488 3.970 20 0 GHADHM CC(C)N1CCO[C@@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)C1 ZINC000545117275 1015550835 /nfs/dbraw/zinc/55/08/35/1015550835.db2.gz MFFXEPBJUZUTNK-HXUWFJFHSA-N -1 3 379.460 3.815 20 0 GHADHM CC(C)(CCN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[O-] ZINC001590670497 990371129 /nfs/dbraw/zinc/37/11/29/990371129.db2.gz DIIRXPPLBPEVCQ-UHFFFAOYSA-N -1 3 384.476 3.675 20 0 GHADHM CN(C)CCN(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CCCC1 ZINC001598224022 990905593 /nfs/dbraw/zinc/90/55/93/990905593.db2.gz VYPZZADELPVLLO-UHFFFAOYSA-N -1 3 393.553 3.733 20 0 GHADHM CC(C)[C@H](CNC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001590982495 991152086 /nfs/dbraw/zinc/15/20/86/991152086.db2.gz PAEMWTCLOAOGES-AGHHOFFYSA-N -1 3 382.504 3.594 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001598511687 992572354 /nfs/dbraw/zinc/57/23/54/992572354.db2.gz VVIIHCYEYRLVDO-OAQYLSRUSA-N -1 3 395.503 3.581 20 0 GHADHM CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-])CC1(O)CCCC1 ZINC001598533572 992819129 /nfs/dbraw/zinc/81/91/29/992819129.db2.gz ISEHMIZTJDOFQY-UHFFFAOYSA-N -1 3 398.290 3.614 20 0 GHADHM C[C@H](NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cc(C(=O)[O-])co1 ZINC001593246501 994452907 /nfs/dbraw/zinc/45/29/07/994452907.db2.gz MIYDOIKMQJZFEN-MGPUTAFESA-N -1 3 381.428 3.941 20 0 GHADHM COc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001599650413 994489780 /nfs/dbraw/zinc/48/97/80/994489780.db2.gz LVQBJMJHGRIISQ-SFHVURJKSA-N -1 3 395.286 3.950 20 0 GHADHM COc1cccc([C@H](O)C2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599660371 994646561 /nfs/dbraw/zinc/64/65/61/994646561.db2.gz RNUQURPADAQEFF-VQTJNVASSA-N -1 3 389.879 3.920 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)cc1Cl ZINC000545458588 1015892424 /nfs/dbraw/zinc/89/24/24/1015892424.db2.gz ZOGVYPQBJNTHER-GFCCVEGCSA-N -1 3 398.887 3.910 20 0 GHADHM CNc1ccc(C)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC001598680266 994917382 /nfs/dbraw/zinc/91/73/82/994917382.db2.gz YCWPKQWAWXSNBW-LJQANCHMSA-N -1 3 384.476 3.628 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)c(C)c1C ZINC000545473867 1015913227 /nfs/dbraw/zinc/91/32/27/1015913227.db2.gz FFYRRNBSMAOHCK-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM COC(=O)[C@H](CNCc1ccc(C(=O)[O-])cc1Br)CC1CCCC1 ZINC001598702327 995239421 /nfs/dbraw/zinc/23/94/21/995239421.db2.gz JBWZPAZCUCNRGM-HNNXBMFYSA-N -1 3 398.297 3.606 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1OCCn1ccnc1 ZINC000468747462 1015989153 /nfs/dbraw/zinc/98/91/53/1015989153.db2.gz KIXFYTLFUQNQMY-UHFFFAOYSA-N -1 3 383.423 3.768 20 0 GHADHM CC1(C)CCC[C@@](O)(CNCc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001593898164 996760246 /nfs/dbraw/zinc/76/02/46/996760246.db2.gz AZHSHNJJBSXDGI-SFHVURJKSA-N -1 3 384.314 3.958 20 0 GHADHM COc1cc(CN(C)C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1OCc1ccccc1 ZINC001599405573 997291762 /nfs/dbraw/zinc/29/17/62/997291762.db2.gz FOONMJLOQFFTBE-APWZRJJASA-N -1 3 391.414 3.672 20 0 GHADHM COc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1Br ZINC000468865874 1016137432 /nfs/dbraw/zinc/13/74/32/1016137432.db2.gz GYMDBDFJXZSMKM-UHFFFAOYSA-N -1 3 396.256 3.942 20 0 GHADHM COc1ccc([C@@H](NC2CC(CC(=O)[O-])C2)c2ccc(OC)cc2OC)cc1 ZINC001599529537 997624929 /nfs/dbraw/zinc/62/49/29/997624929.db2.gz ZOZMHKRBDSMPBS-SDDNFHFQSA-N -1 3 385.460 3.645 20 0 GHADHM COc1cc(F)c([C@H](C)NCCOc2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC001599426493 997685029 /nfs/dbraw/zinc/68/50/29/997685029.db2.gz XUUDKBXLGMJYIR-NSHDSACASA-N -1 3 397.830 3.924 20 0 GHADHM COc1ccc([C@@H](NCc2ccc([Si](C)(C)C)cc2)C(=O)[O-])cc1Cl ZINC001599533127 997694388 /nfs/dbraw/zinc/69/43/88/997694388.db2.gz ZLJHHPQICLSDIQ-GOSISDBHSA-N -1 3 377.944 3.809 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468913091 1016207463 /nfs/dbraw/zinc/20/74/63/1016207463.db2.gz IQXOQHJQDWPETM-HNNXBMFYSA-N -1 3 386.467 3.699 20 0 GHADHM COc1cc2c(cc1OC)C1(CCC1)N(Cc1ccccc1CC(=O)[O-])CC2 ZINC001599465913 998360964 /nfs/dbraw/zinc/36/09/64/998360964.db2.gz VGJAWXBJBOIQHV-UHFFFAOYSA-N -1 3 381.472 3.768 20 0 GHADHM COC(=O)c1ccc2[nH]cc(C3CCN(Cc4ccc(C(=O)[O-])o4)CC3)c2c1 ZINC001598989817 998726421 /nfs/dbraw/zinc/72/64/21/998726421.db2.gz MRVZOACZBKZBNE-UHFFFAOYSA-N -1 3 382.416 3.625 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@](C)(c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000469051872 1016376915 /nfs/dbraw/zinc/37/69/15/1016376915.db2.gz UQHZEVWNBWDWGN-OAHLLOKOSA-N -1 3 395.349 3.729 20 0 GHADHM O=C(CCCc1ccc(O)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000469119010 1016513658 /nfs/dbraw/zinc/51/36/58/1016513658.db2.gz WGZLINBOQWDVJI-UHFFFAOYSA-N -1 3 382.229 3.639 20 0 GHADHM CC(C)N1CCO[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)C1 ZINC000547239997 1016863606 /nfs/dbraw/zinc/86/36/06/1016863606.db2.gz WEFBVTGPOOLDIZ-HXUWFJFHSA-N -1 3 395.459 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ZINC001226993870 1032224977 /nfs/dbraw/zinc/22/49/77/1032224977.db2.gz ABSPAAZQUFPESN-CYBMUJFWSA-N -1 3 376.416 3.687 20 0 GHADHM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001155015546 1032380313 /nfs/dbraw/zinc/38/03/13/1032380313.db2.gz GTYSZXCDSABMLW-JXFKEZNVSA-N -1 3 381.472 3.591 20 0 GHADHM CSc1[n-]nc(NC(=O)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1C(N)=O ZINC001155235919 1032466899 /nfs/dbraw/zinc/46/68/99/1032466899.db2.gz UVGJSWVZBLPVPR-UHFFFAOYSA-N -1 3 392.484 3.789 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3cc(=O)cc(C(F)(F)F)[n-]3)C[C@@H]21 ZINC001227586543 1032475112 /nfs/dbraw/zinc/47/51/12/1032475112.db2.gz MVGJFBDYHPSULH-WXHSDQCUSA-N -1 3 388.386 3.973 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2[nH]c(=S)nc3nc[n-]c32)C(F)(F)F)c1 ZINC001227616043 1032487188 /nfs/dbraw/zinc/48/71/88/1032487188.db2.gz JSIIQZQIKLANCG-LLVKDONJSA-N -1 3 398.366 3.501 20 0 GHADHM CN(C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000558780438 1017284806 /nfs/dbraw/zinc/28/48/06/1017284806.db2.gz WVUCTBKXMWYOSW-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCSC[C@H]3C3CC3)cc2)cc(=O)[n-]1 ZINC000929762086 1017736349 /nfs/dbraw/zinc/73/63/49/1017736349.db2.gz CKDGJNNHWQNDNN-SFHVURJKSA-N -1 3 384.505 3.907 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3c4ccc(F)cc4O[C@H]3C)cc2)cc(=O)[n-]1 ZINC000562105237 1018040846 /nfs/dbraw/zinc/04/08/46/1018040846.db2.gz LNSVPQLPFJJMLL-PRWKNARSSA-N -1 3 394.406 3.940 20 0 GHADHM O=c1[n-]c(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)nc2c3ccccc3oc21 ZINC000931915444 1018076039 /nfs/dbraw/zinc/07/60/39/1018076039.db2.gz VRZQJWVUDDOCLZ-MRXNPFEDSA-N -1 3 381.329 3.948 20 0 GHADHM O=C(NC1(C2CCC2)CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562662165 1018503225 /nfs/dbraw/zinc/50/32/25/1018503225.db2.gz MERNPFXVFFEESD-UHFFFAOYSA-N -1 3 375.266 3.743 20 0 GHADHM O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1ccc(OCC(F)F)cc1 ZINC000562708001 1018558598 /nfs/dbraw/zinc/55/85/98/1018558598.db2.gz YPOCHYFBUDOBBF-CQSZACIVSA-N -1 3 383.416 3.635 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@H]2CCCN(C)CC2)c([O-])c1 ZINC001228116593 1032792443 /nfs/dbraw/zinc/79/24/43/1032792443.db2.gz XASVFKDJTNSXQQ-HNNXBMFYSA-N -1 3 385.460 3.504 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000565708530 1019197356 /nfs/dbraw/zinc/19/73/56/1019197356.db2.gz JYQGQHAAZKHWKE-UHFFFAOYSA-N -1 3 376.884 3.803 20 0 GHADHM O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568105043 1019373770 /nfs/dbraw/zinc/37/37/70/1019373770.db2.gz MNANKMSGVQEINL-GOSISDBHSA-N -1 3 387.439 3.980 20 0 GHADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000155759852 1019544557 /nfs/dbraw/zinc/54/45/57/1019544557.db2.gz VKIWVOWCVZDHQL-ZFWWWQNUSA-N -1 3 386.414 3.538 20 0 GHADHM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000575793140 1019947221 /nfs/dbraw/zinc/94/72/21/1019947221.db2.gz JLTMSEOSALPKCE-FQEVSTJZSA-N -1 3 388.467 3.509 20 0 GHADHM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000575950164 1019960901 /nfs/dbraw/zinc/96/09/01/1019960901.db2.gz RQUAEWVHFJOZDN-UHFFFAOYSA-N -1 3 397.313 3.814 20 0 GHADHM O=C(CSc1cccc2cccc(Cl)c21)N1CCc2c(=O)[n-]cnc2C1 ZINC000576024570 1019970425 /nfs/dbraw/zinc/97/04/25/1019970425.db2.gz ARVRMHUDZUXXHB-UHFFFAOYSA-N -1 3 385.876 3.666 20 0 GHADHM COc1ccc(O[C@@H](C)CNC(F)(F)c2cc(Cl)nc(=S)[n-]2)cc1 ZINC001156080391 1032868125 /nfs/dbraw/zinc/86/81/25/1032868125.db2.gz JKURGYBXYXLSRR-VIFPVBQESA-N -1 3 375.828 3.534 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cnc(Cl)c(Cl)c1 ZINC000158752216 1020025729 /nfs/dbraw/zinc/02/57/29/1020025729.db2.gz YDUYIBJRFFDACN-MRXNPFEDSA-N -1 3 394.283 3.851 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(F)ccc1Cl ZINC000579214364 1020395082 /nfs/dbraw/zinc/39/50/82/1020395082.db2.gz UKBSJVJWSGIMAI-DGCLKSJQSA-N -1 3 375.874 3.739 20 0 GHADHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346368 1032900901 /nfs/dbraw/zinc/90/09/01/1032900901.db2.gz GNWKVHNOTCTXMC-QGZVFWFLSA-N -1 3 394.500 3.774 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(OC(C)C)c1 ZINC000187870469 1020435454 /nfs/dbraw/zinc/43/54/54/1020435454.db2.gz XGNJORRJWQGDIE-INIZCTEOSA-N -1 3 382.460 3.888 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@@H]3CCC[C@@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000627776847 1020602442 /nfs/dbraw/zinc/60/24/42/1020602442.db2.gz HFFMSZCQRPRJFB-DOTOQJQBSA-N -1 3 386.492 3.832 20 0 GHADHM CC[C@@H](CNC(=O)CC1(C(=O)[O-])CCCCCC1)N1CCc2ccccc2C1 ZINC000634860217 1020960144 /nfs/dbraw/zinc/96/01/44/1020960144.db2.gz MZHFBPZGZXDZCS-FQEVSTJZSA-N -1 3 386.536 3.755 20 0 GHADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000642375848 1021091027 /nfs/dbraw/zinc/09/10/27/1021091027.db2.gz PSFKLGLTBBYCLY-UHFFFAOYSA-N -1 3 381.860 3.506 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000834465479 1021203864 /nfs/dbraw/zinc/20/38/64/1021203864.db2.gz QZPMPXCFRDLPRG-UHFFFAOYSA-N -1 3 377.893 3.891 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000653377609 1021241774 /nfs/dbraw/zinc/24/17/74/1021241774.db2.gz QISIJLAVOXGJTC-KRWDZBQOSA-N -1 3 392.499 3.538 20 0 GHADHM CCC(CC)Oc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001140272871 1021297408 /nfs/dbraw/zinc/29/74/08/1021297408.db2.gz TYOSZKDDPUEBQI-HUUCEWRRSA-N -1 3 399.491 3.748 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000834716936 1021401798 /nfs/dbraw/zinc/40/17/98/1021401798.db2.gz ZPHSDKAZADBWME-ZDUSSCGKSA-N -1 3 386.473 3.904 20 0 GHADHM CCC[C@@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)OCC ZINC000801849351 1021444688 /nfs/dbraw/zinc/44/46/88/1021444688.db2.gz ISPCZLFEVYFFDL-GFCCVEGCSA-N -1 3 395.253 3.728 20 0 GHADHM CC[C@@](CNCc1ncc(Br)cc1F)(C(=O)[O-])c1ccccc1 ZINC000901901296 1021459913 /nfs/dbraw/zinc/45/99/13/1021459913.db2.gz XWPURRNTUBQEQN-KRWDZBQOSA-N -1 3 381.245 3.505 20 0 GHADHM C[C@@H]1CC[C@@](CNCc2ncc(Br)cc2Cl)(CC(=O)[O-])C1 ZINC000903993297 1021667218 /nfs/dbraw/zinc/66/72/18/1021667218.db2.gz PNBBGMREKFEHTM-BMIGLBTASA-N -1 3 375.694 3.868 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140555469 1021958954 /nfs/dbraw/zinc/95/89/54/1021958954.db2.gz JMDQMEHCWOJKDM-AWEZNQCLSA-N -1 3 399.329 3.986 20 0 GHADHM C[C@@H]1CCN(Cc2cccc([O-])c2Br)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140555800 1021959641 /nfs/dbraw/zinc/95/96/41/1021959641.db2.gz WXFBHEGQYOTAIG-OCCSQVGLSA-N -1 3 399.329 3.890 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001228630815 1033021141 /nfs/dbraw/zinc/02/11/41/1033021141.db2.gz UZWCZNBJNYGEIS-KGLIPLIRSA-N -1 3 389.448 3.974 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001140839348 1022673043 /nfs/dbraw/zinc/67/30/43/1022673043.db2.gz ALNAEXQYYQSZGF-UHFFFAOYSA-N -1 3 390.361 3.955 20 0 GHADHM Cc1nc(Cl)sc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000754417682 1022693329 /nfs/dbraw/zinc/69/33/29/1022693329.db2.gz RXUDQECGHZTIIL-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM [O-]c1ccc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1F ZINC001140889519 1022807760 /nfs/dbraw/zinc/80/77/60/1022807760.db2.gz UOUHUCRWEJRQOK-UTKZUKDTSA-N -1 3 390.430 3.516 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140892623 1022817701 /nfs/dbraw/zinc/81/77/01/1022817701.db2.gz UQMISNGRUJPUFS-AEFFLSMTSA-N -1 3 375.415 3.982 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000836455606 1022989122 /nfs/dbraw/zinc/98/91/22/1022989122.db2.gz UTARACZONUCBMH-HNNXBMFYSA-N -1 3 377.485 3.769 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000836455606 1022989126 /nfs/dbraw/zinc/98/91/26/1022989126.db2.gz UTARACZONUCBMH-HNNXBMFYSA-N -1 3 377.485 3.769 20 0 GHADHM Cc1cc(NC(=O)[N-]O[C@@H](CO)C(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000836492706 1023029103 /nfs/dbraw/zinc/02/91/03/1023029103.db2.gz HXCNGVVVIINVHS-AWEZNQCLSA-N -1 3 387.267 3.558 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N2CCCCCC2)cc1C ZINC000836613029 1023169314 /nfs/dbraw/zinc/16/93/14/1023169314.db2.gz NXHPQSSIXCAGGI-UHFFFAOYSA-N -1 3 377.485 3.770 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000836613029 1023169324 /nfs/dbraw/zinc/16/93/24/1023169324.db2.gz NXHPQSSIXCAGGI-UHFFFAOYSA-N -1 3 377.485 3.770 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCC3CCC3)c2)c1 ZINC000755863795 1023407287 /nfs/dbraw/zinc/40/72/87/1023407287.db2.gz LUYLVRSODGPRHZ-UHFFFAOYSA-N -1 3 398.459 3.582 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001204893889 1033150079 /nfs/dbraw/zinc/15/00/79/1033150079.db2.gz OSVLKVUPKCTNJV-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C([N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)C(F)(F)c1nccs1 ZINC000756546401 1023708623 /nfs/dbraw/zinc/70/86/23/1023708623.db2.gz RQAALZAPMYJGJS-SNVBAGLBSA-N -1 3 391.365 3.649 20 0 GHADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001138105201 1024108518 /nfs/dbraw/zinc/10/85/18/1024108518.db2.gz RUCDBHIMGIOZOI-LBPRGKRZSA-N -1 3 398.846 3.785 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228956286 1033198154 /nfs/dbraw/zinc/19/81/54/1033198154.db2.gz NBNSTQRVCFXCKU-OAHLLOKOSA-N -1 3 379.254 3.538 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001141252785 1024294612 /nfs/dbraw/zinc/29/46/12/1024294612.db2.gz ZSLDBMZREOGTCO-LURJTMIESA-N -1 3 393.209 3.771 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837546786 1024542519 /nfs/dbraw/zinc/54/25/19/1024542519.db2.gz UHRAHGMFCKHOQC-UHFFFAOYSA-N -1 3 386.839 3.717 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cnc([C@H]2CCCO2)s1 ZINC000837605117 1024582202 /nfs/dbraw/zinc/58/22/02/1024582202.db2.gz KCXYYADIGHQKEQ-CQSZACIVSA-N -1 3 383.429 3.514 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3C[C@@H](OCC4CC4)[C@H]4COC[C@H]43)cc2)c1 ZINC001141355417 1024678026 /nfs/dbraw/zinc/67/80/26/1024678026.db2.gz VDSHFQUEGNDBRL-YTFSRNRJSA-N -1 3 393.483 3.678 20 0 GHADHM CCN1CCC2(CCN(Cc3ccc(-c4cccc(C(=O)[O-])c4)cc3)CC2)C1=O ZINC001141361105 1024713206 /nfs/dbraw/zinc/71/32/06/1024713206.db2.gz VLEWAWALTJFMHP-UHFFFAOYSA-N -1 3 392.499 3.886 20 0 GHADHM Cc1ccnc(O[C@@H]2CCN(Cc3ccc(-c4cccc(C(=O)[O-])c4)cc3)C2)n1 ZINC001141364559 1024728668 /nfs/dbraw/zinc/72/86/68/1024728668.db2.gz ZLUBOPHDUNUSLZ-OAQYLSRUSA-N -1 3 389.455 3.804 20 0 GHADHM O=C1C[C@@H](N(Cc2ccccc2)Cc2ncccc2[O-])CN1Cc1ccccc1 ZINC001138396673 1024773626 /nfs/dbraw/zinc/77/36/26/1024773626.db2.gz XMDANZKGWYXBBS-OAQYLSRUSA-N -1 3 387.483 3.591 20 0 GHADHM O=C(c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ncccc2[O-])CC1 ZINC001138397134 1024774217 /nfs/dbraw/zinc/77/42/17/1024774217.db2.gz UOHCUJLXJMKQDA-UHFFFAOYSA-N -1 3 380.366 3.781 20 0 GHADHM C[C@@H]1CCN(C(=O)COC(=O)Cc2ccc([O-])c(F)c2)c2ccccc2S1 ZINC000838142070 1024942994 /nfs/dbraw/zinc/94/29/94/1024942994.db2.gz UVJWZFVYFXYPII-CYBMUJFWSA-N -1 3 389.448 3.535 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000838558096 1025209084 /nfs/dbraw/zinc/20/90/84/1025209084.db2.gz CYPNNVWVJXASAB-CMPLNLGQSA-N -1 3 387.793 3.612 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c(Cl)c1Cl ZINC000832149357 1025261013 /nfs/dbraw/zinc/26/10/13/1025261013.db2.gz WNXBWWVDDOQZCQ-NSHDSACASA-N -1 3 393.119 3.864 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)OC)c2cc(F)ccc2F)cc(Cl)c1[O-] ZINC000839017465 1025521787 /nfs/dbraw/zinc/52/17/87/1025521787.db2.gz SQQYQFOSAFRNOE-MRXNPFEDSA-N -1 3 385.794 3.726 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC001138926463 1025593266 /nfs/dbraw/zinc/59/32/66/1025593266.db2.gz JCWYPTRTZGRSFF-IBGZPJMESA-N -1 3 375.852 3.847 20 0 GHADHM Cc1ncc(NC(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)c(=O)[n-]1 ZINC001162302328 1025707279 /nfs/dbraw/zinc/70/72/79/1025707279.db2.gz HKNJKUDANDOMJB-AWEZNQCLSA-N -1 3 380.757 3.578 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2scnc2Br)nc1C(C)C ZINC000839424699 1025913911 /nfs/dbraw/zinc/91/39/11/1025913911.db2.gz CXGOKUPHXMNBIL-UHFFFAOYSA-N -1 3 390.284 3.524 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000832877185 1026064076 /nfs/dbraw/zinc/06/40/76/1026064076.db2.gz GXEZXHBFZLVBJD-UHFFFAOYSA-N -1 3 386.423 3.862 20 0 GHADHM CC(C)[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(=O)OC(C)(C)C ZINC001163599074 1026246920 /nfs/dbraw/zinc/24/69/20/1026246920.db2.gz QTFOUMHFSYLXKL-ZDUSSCGKSA-N -1 3 392.883 3.525 20 0 GHADHM Cc1sc2nc(C)nc(NCCCc3c[n-][nH]c3=O)c2c1-c1ccccc1 ZINC001164371587 1026497538 /nfs/dbraw/zinc/49/75/38/1026497538.db2.gz FGLVDGSKALWFBJ-OAHLLOKOSA-N -1 3 379.489 3.899 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001139633257 1026499798 /nfs/dbraw/zinc/49/97/98/1026499798.db2.gz HAKVEFWLCKCMOG-UHFFFAOYSA-N -1 3 397.862 3.579 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)cc(Cl)c1F ZINC001139767297 1026604049 /nfs/dbraw/zinc/60/40/49/1026604049.db2.gz XCCYFFVQPXRSDJ-UHFFFAOYSA-N -1 3 393.733 3.707 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000833719826 1026649330 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3.924 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cccc(Br)c1Cl ZINC000840494491 1027579050 /nfs/dbraw/zinc/57/90/50/1027579050.db2.gz ZMAUFJGWDWZSQC-UHFFFAOYSA-N -1 3 398.688 3.960 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CCC1CCCCC1)c1ccc(Cl)c(F)c1 ZINC001211067718 1027773455 /nfs/dbraw/zinc/77/34/55/1027773455.db2.gz IMKIKALEIKRXQR-MRXNPFEDSA-N -1 3 391.892 3.583 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001211409498 1027946984 /nfs/dbraw/zinc/94/69/84/1027946984.db2.gz JDXCNVWWCWAENK-BBRMVZONSA-N -1 3 389.945 3.558 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(c3ccc(F)cc3)CC2)s1 ZINC001211474972 1027977367 /nfs/dbraw/zinc/97/73/67/1027977367.db2.gz WQUZJYCJNAPGEE-UHFFFAOYSA-N -1 3 397.493 3.679 20 0 GHADHM [O-]c1cc(Cl)c(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c(Cl)c1 ZINC001142109518 1028129890 /nfs/dbraw/zinc/12/98/90/1028129890.db2.gz SRKWKXPRWFLLMT-AWEZNQCLSA-N -1 3 396.318 3.954 20 0 GHADHM CCOC(=O)c1cnn(Cc2ccc(F)cc2)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377433 1028148744 /nfs/dbraw/zinc/14/87/44/1028148744.db2.gz OQVNRJIZPXHQRK-UHFFFAOYSA-N -1 3 391.349 3.975 20 0 GHADHM O=S(=O)([N-]CC1(CC2CC2)CC1)c1cc(Br)ccc1Cl ZINC001213555845 1028264424 /nfs/dbraw/zinc/26/44/24/1028264424.db2.gz HYPIEDWIBBMHIR-UHFFFAOYSA-N -1 3 378.719 3.961 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC001213655628 1028312246 /nfs/dbraw/zinc/31/22/46/1028312246.db2.gz HZTPUYNWSIYPLS-POYBYMJQSA-N -1 3 381.725 3.836 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccccc2)c(F)c1F ZINC001213868835 1028420118 /nfs/dbraw/zinc/42/01/18/1028420118.db2.gz YDPGWYYYOLHGFR-KRWDZBQOSA-N -1 3 397.443 3.635 20 0 GHADHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc([O-])cc(Br)c1 ZINC001142229227 1028426649 /nfs/dbraw/zinc/42/66/49/1028426649.db2.gz IZNIAISFRRRDER-HNNXBMFYSA-N -1 3 380.213 3.938 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cccc(OC(F)(F)F)c1F ZINC001213939101 1028460458 /nfs/dbraw/zinc/46/04/58/1028460458.db2.gz AKQYHKHRRGJKGC-GFCCVEGCSA-N -1 3 393.333 3.829 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c(C)c1Cl ZINC001213939341 1028462203 /nfs/dbraw/zinc/46/22/03/1028462203.db2.gz HRQPIDFOQIVCTR-CYBMUJFWSA-N -1 3 399.921 3.852 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3Br)no2)[n-]1 ZINC001213975079 1028483450 /nfs/dbraw/zinc/48/34/50/1028483450.db2.gz QAZMSFQTWWXLDS-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM O=S(=O)([N-]CCCc1ccsc1)c1cccc(OC(F)(F)F)c1F ZINC001214078550 1028538552 /nfs/dbraw/zinc/53/85/52/1028538552.db2.gz TUXGCMSHNQXVDS-UHFFFAOYSA-N -1 3 383.388 3.697 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c([O-])c1)N(C(=O)OC(C)(C)C)c1cccnc1 ZINC001142413982 1028846020 /nfs/dbraw/zinc/84/60/20/1028846020.db2.gz KTZGBOQILFDYBM-GFCCVEGCSA-N -1 3 375.400 3.695 20 0 GHADHM O=C([O-])[C@@H](NCc1sc(Sc2ccccc2)nc1Cl)[C@H]1CCOC1 ZINC000841808189 1028957100 /nfs/dbraw/zinc/95/71/00/1028957100.db2.gz ZHJBOOLMJCOYPZ-GWCFXTLKSA-N -1 3 384.910 3.527 20 0 GHADHM CC(=O)N(c1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1)C1CC1 ZINC000842148535 1029106638 /nfs/dbraw/zinc/10/66/38/1029106638.db2.gz HALAHXMIZUCKDX-UHFFFAOYSA-N -1 3 378.428 3.934 20 0 GHADHM COc1cc(-c2noc(-c3ccc([O-])c(C(C)=O)c3)n2)ccc1-n1cnc(C)c1 ZINC001215365564 1029175501 /nfs/dbraw/zinc/17/55/01/1029175501.db2.gz UYKHLNUJHCFPFK-UHFFFAOYSA-N -1 3 390.399 3.815 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001142654005 1029211836 /nfs/dbraw/zinc/21/18/36/1029211836.db2.gz SXSMOGZQMZMCPR-RHSMWYFYSA-N -1 3 391.924 3.591 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(F)c(Cl)cc3F)no2)cc1 ZINC001215448078 1029213699 /nfs/dbraw/zinc/21/36/99/1029213699.db2.gz QHWYXIXHGFTVKY-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(F)c(F)cc3Cl)no2)cc1 ZINC001215447970 1029213782 /nfs/dbraw/zinc/21/37/82/1029213782.db2.gz MEPJJHYHYGPPPB-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc([N-]C(=O)C(=O)c2ccccc2)on1 ZINC001142684290 1029264335 /nfs/dbraw/zinc/26/43/35/1029264335.db2.gz ZVWSGXZWTCHADG-HNNXBMFYSA-N -1 3 385.420 3.568 20 0 GHADHM [O-]c1cc(Br)cnc1Nc1cccc(Cl)c1CN1CCOCC1 ZINC001215711935 1029360540 /nfs/dbraw/zinc/36/05/40/1029360540.db2.gz HZLVZVULTWGLLW-UHFFFAOYSA-N -1 3 398.688 3.779 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001142742860 1029374662 /nfs/dbraw/zinc/37/46/62/1029374662.db2.gz WDQLZSMYPIMBKX-UHFFFAOYSA-N -1 3 399.443 3.958 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(CO)c(C)c1Cl ZINC001216331170 1029607319 /nfs/dbraw/zinc/60/73/19/1029607319.db2.gz LNICHEBXDLPYPB-UHFFFAOYSA-N -1 3 379.869 3.502 20 0 GHADHM CC(C)(C)NC(=O)c1cc(Br)cc(Nc2ncc(F)cc2[O-])c1 ZINC001216486266 1029658890 /nfs/dbraw/zinc/65/88/90/1029658890.db2.gz UIEHSCFIZWPLNR-UHFFFAOYSA-N -1 3 382.233 3.961 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[n-]n1 ZINC001142900552 1029660886 /nfs/dbraw/zinc/66/08/86/1029660886.db2.gz NVYCBLVDWOHLPV-UHFFFAOYSA-N -1 3 395.419 3.545 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n[n-]1 ZINC001142900552 1029660893 /nfs/dbraw/zinc/66/08/93/1029660893.db2.gz NVYCBLVDWOHLPV-UHFFFAOYSA-N -1 3 395.419 3.545 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(SC)cc(F)c1OC)OCC ZINC001216579639 1029691891 /nfs/dbraw/zinc/69/18/91/1029691891.db2.gz IQTAWYMYTZIYQB-UHFFFAOYSA-N -1 3 397.472 3.737 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(-n3cc(Br)cn3)cc2)no1 ZINC001216737260 1029912665 /nfs/dbraw/zinc/91/26/65/1029912665.db2.gz VGYQQYCKQAYEDI-UHFFFAOYSA-N -1 3 399.204 3.763 20 0 GHADHM COc1ccc(-c2noc(-c3cc([O-])ccc3Br)n2)c(OC)c1 ZINC001216847124 1029961464 /nfs/dbraw/zinc/96/14/64/1029961464.db2.gz QMGXYDHYZYVCCC-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)n1 ZINC001216895414 1029984620 /nfs/dbraw/zinc/98/46/20/1029984620.db2.gz QQWFJGYFAYRENY-UHFFFAOYSA-N -1 3 380.173 3.723 20 0 GHADHM CS(=O)(=O)c1ccc(-c2noc(-c3cc([O-])cc(C(F)(F)F)c3)n2)cc1 ZINC001216895871 1029984716 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/nfs/dbraw/zinc/41/90/86/1030419086.db2.gz KSYCXXQCXGENRF-UHFFFAOYSA-N -1 3 391.412 3.985 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5sc(C)nc5c4)no3)n[n-]c21 ZINC001217471072 1030419092 /nfs/dbraw/zinc/41/90/92/1030419092.db2.gz KSYCXXQCXGENRF-UHFFFAOYSA-N -1 3 391.412 3.985 20 0 GHADHM COc1ccc(-c2noc(-c3ccc4[nH][n-]c(=O)c4c3)n2)c(Br)c1 ZINC001217474935 1030423901 /nfs/dbraw/zinc/42/39/01/1030423901.db2.gz ZDWCUJYOJOUNFT-UHFFFAOYSA-N -1 3 387.193 3.757 20 0 GHADHM COc1cc(F)cc(CNC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)c1 ZINC001150475929 1030539134 /nfs/dbraw/zinc/53/91/34/1030539134.db2.gz BGGFWKNELUFIEL-UHFFFAOYSA-N -1 3 394.324 3.625 20 0 GHADHM O=C(NCc1cccc2cc[nH]c21)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150477067 1030539782 /nfs/dbraw/zinc/53/97/82/1030539782.db2.gz ORBCQOQIAWYFOB-UHFFFAOYSA-N -1 3 385.345 3.958 20 0 GHADHM O=C(NCc1ccc2ocnc2c1)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150477524 1030541189 /nfs/dbraw/zinc/54/11/89/1030541189.db2.gz YHOCBIGDSKQPKR-UHFFFAOYSA-N -1 3 387.317 3.618 20 0 GHADHM O=C(NC1(c2noc(C3CCCCC3)n2)CCCCCC1)c1cc(=O)[n-]cn1 ZINC001150988193 1030735685 /nfs/dbraw/zinc/73/56/85/1030735685.db2.gz RUNXIMPXCIIDPG-UHFFFAOYSA-N -1 3 385.468 3.592 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1nc(Cl)cc2nc[nH]c21 ZINC001151366095 1030880854 /nfs/dbraw/zinc/88/08/54/1030880854.db2.gz DQMPEVMKGNIEDK-UHFFFAOYSA-N -1 3 383.795 3.522 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151804722 1031005443 /nfs/dbraw/zinc/00/54/43/1031005443.db2.gz QTFQGGNWGNIPNS-UHFFFAOYSA-N -1 3 387.365 3.592 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151804722 1031005464 /nfs/dbraw/zinc/00/54/64/1031005464.db2.gz QTFQGGNWGNIPNS-UHFFFAOYSA-N -1 3 387.365 3.592 20 0 GHADHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151804722 1031005478 /nfs/dbraw/zinc/00/54/78/1031005478.db2.gz QTFQGGNWGNIPNS-UHFFFAOYSA-N -1 3 387.365 3.592 20 0 GHADHM O=C1N(CC(F)F)CC[C@]12CCCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001277057553 1031501928 /nfs/dbraw/zinc/50/19/28/1031501928.db2.gz VBSUSMHLLALAJR-GOSISDBHSA-N -1 3 390.833 3.654 20 0 GHADHM O=C(Cc1nc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[n-]1)c1ccccc1 ZINC001153340908 1031542211 /nfs/dbraw/zinc/54/22/11/1031542211.db2.gz AKRRQQFRPDCBCX-UHFFFAOYSA-N -1 3 391.818 3.684 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225850436 1031651745 /nfs/dbraw/zinc/65/17/45/1031651745.db2.gz JMTQPRKOMKPOEL-DTORHVGOSA-N -1 3 379.404 3.561 20 0 GHADHM Cc1ccc2c(CCNC(=O)c3cc(=O)c4cc(Cl)ccc4[n-]3)c[nH]c2c1 ZINC001153908552 1031806053 /nfs/dbraw/zinc/80/60/53/1031806053.db2.gz HIBFZCPCKFFDST-UHFFFAOYSA-N -1 3 379.847 3.944 20 0 GHADHM Cn1cc(CCNC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c2ccccc21 ZINC001153908894 1031806165 /nfs/dbraw/zinc/80/61/65/1031806165.db2.gz MXWKBEIYLIVDFU-UHFFFAOYSA-N -1 3 379.847 3.646 20 0 GHADHM COc1ccccc1-n1nccc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154023399 1031880602 /nfs/dbraw/zinc/88/06/02/1031880602.db2.gz UWHFWRZTARCWJG-UHFFFAOYSA-N -1 3 375.384 3.698 20 0 GHADHM Cc1ccc([C@@]2(C)CN(C(=O)c3c(O)cc4ccccc4c3[O-])CCO2)cc1 ZINC001154025289 1031882990 /nfs/dbraw/zinc/88/29/90/1031882990.db2.gz DARYIDQRPQSWQW-HSZRJFAPSA-N -1 3 377.440 3.947 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001154025394 1031883390 /nfs/dbraw/zinc/88/33/90/1031883390.db2.gz MZFPIHQSTNPONB-KPFFTGBYSA-N -1 3 381.472 3.918 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)[n-]c2c1 ZINC001154111007 1031933048 /nfs/dbraw/zinc/93/30/48/1031933048.db2.gz PIVLWCZZDPNEOJ-QHCPKHFHSA-N -1 3 399.450 3.584 20 0 GHADHM CC(=O)c1ccc([O-])c(OC2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC001226480030 1031974266 /nfs/dbraw/zinc/97/42/66/1031974266.db2.gz XLNLYJGEHQKGLD-UHFFFAOYSA-N -1 3 391.464 3.859 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001226478907 1031974419 /nfs/dbraw/zinc/97/44/19/1031974419.db2.gz JJBCBPWZYVTPFT-BTTYYORXSA-N -1 3 377.437 3.610 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc3cc(Cl)ccc3c2OC)[n-]1 ZINC001154189261 1031975904 /nfs/dbraw/zinc/97/59/04/1031975904.db2.gz OTCWFTMEIJXGJD-UHFFFAOYSA-N -1 3 379.825 3.715 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc3cc(Cl)ccc3c2OC)c[n-]1 ZINC001154189261 1031975908 /nfs/dbraw/zinc/97/59/08/1031975908.db2.gz OTCWFTMEIJXGJD-UHFFFAOYSA-N -1 3 379.825 3.715 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](NCc1cccc([O-])c1Br)C1CC1 ZINC000315472640 1031978277 /nfs/dbraw/zinc/97/82/77/1031978277.db2.gz YSDYNMJFAOVTEN-ZDUSSCGKSA-N -1 3 385.302 3.548 20 0 GHADHM O=C(Nc1ccc2scnc2c1Br)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209796 1031985922 /nfs/dbraw/zinc/98/59/22/1031985922.db2.gz UDCRYBGWZXAENZ-UHFFFAOYSA-N -1 3 389.234 3.893 20 0 GHADHM CN(C)[C@H](CNC(=O)c1ccc2[nH][n-]c(=O)c2c1)c1ccc(Cl)cc1Cl ZINC001154212038 1031987513 /nfs/dbraw/zinc/98/75/13/1031987513.db2.gz FZOPFEHXEJYBHX-MRXNPFEDSA-N -1 3 393.274 3.608 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCCN(Cc4ccccc4F)C3)cc12 ZINC001226532448 1031999142 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384.270 3.933 20 0 GHADHM O=C(NCC[C@@H]1OCCc2ccccc21)c1cc([O-])cc(Br)c1 ZINC001156937807 1033329035 /nfs/dbraw/zinc/32/90/35/1033329035.db2.gz KZFFDDKMMNNGFB-KRWDZBQOSA-N -1 3 376.250 3.589 20 0 GHADHM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001229263264 1033375751 /nfs/dbraw/zinc/37/57/51/1033375751.db2.gz AUBJUMVOEDPNCQ-TYKWCNGQSA-N -1 3 395.499 3.840 20 0 GHADHM CCc1ccc(Br)cc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157105412 1033416235 /nfs/dbraw/zinc/41/62/35/1033416235.db2.gz IDQIYZYIBTYMCR-UHFFFAOYSA-N -1 3 380.242 3.552 20 0 GHADHM CCc1ccc(Br)cc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157105412 1033416241 /nfs/dbraw/zinc/41/62/41/1033416241.db2.gz IDQIYZYIBTYMCR-UHFFFAOYSA-N -1 3 380.242 3.552 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1c(F)cccc1Br ZINC001229342325 1033425888 /nfs/dbraw/zinc/42/58/88/1033425888.db2.gz QPNROGGTXADHRZ-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1c(F)cccc1Br ZINC001229342325 1033425896 /nfs/dbraw/zinc/42/58/96/1033425896.db2.gz QPNROGGTXADHRZ-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC001157221178 1033479358 /nfs/dbraw/zinc/47/93/58/1033479358.db2.gz FVALHVVVGMFDLZ-IKGGRYGDSA-N -1 3 397.519 3.869 20 0 GHADHM CC/C(=C/C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001157223701 1033480625 /nfs/dbraw/zinc/48/06/25/1033480625.db2.gz ZBFWOHRXLPZOBT-LMGNYNBYSA-N -1 3 381.476 3.669 20 0 GHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157232342 1033484102 /nfs/dbraw/zinc/48/41/02/1033484102.db2.gz CFGOAFHCXMLPCX-WDEREUQCSA-N -1 3 378.354 3.621 20 0 GHADHM CCCO[C@@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1C ZINC001157242272 1033488521 /nfs/dbraw/zinc/48/85/21/1033488521.db2.gz LBDLLRCCFHANNR-GXFFZTMASA-N -1 3 388.365 3.616 20 0 GHADHM CC(C)(C)OC(=O)N1CCC12CC(Oc1nc(=S)[n-]c3sccc31)C2 ZINC001229563471 1033559089 /nfs/dbraw/zinc/55/90/89/1033559089.db2.gz AWIBMQCGMGTWCR-UHFFFAOYSA-N -1 3 379.507 3.901 20 0 GHADHM O=c1ccn(-c2ccc(Nc3ccc(C4(N5CCOCC5)CC4)cc3)cc2)[n-]1 ZINC001205837794 1033600500 /nfs/dbraw/zinc/60/05/00/1033600500.db2.gz WETJMPDMGAOBAB-UHFFFAOYSA-N -1 3 376.460 3.643 20 0 GHADHM COC[C@H](C)OC[C@@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229811639 1033732627 /nfs/dbraw/zinc/73/26/27/1033732627.db2.gz SNSPUGNZCCPTEB-UONOGXRCSA-N -1 3 376.449 3.884 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccccc2-c2nnn[n-]2)CC12CCC2 ZINC001229954572 1033814045 /nfs/dbraw/zinc/81/40/45/1033814045.db2.gz MIBYEWOIPPCUIM-CQSZACIVSA-N -1 3 385.468 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccccc2-c2nn[n-]n2)CC12CCC2 ZINC001229954572 1033814057 /nfs/dbraw/zinc/81/40/57/1033814057.db2.gz MIBYEWOIPPCUIM-CQSZACIVSA-N -1 3 385.468 3.568 20 0 GHADHM CCc1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC001158103367 1033915978 /nfs/dbraw/zinc/91/59/78/1033915978.db2.gz SJMCSWPYGJGKFF-OAHLLOKOSA-N -1 3 381.350 3.618 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3c(cccc3F)s2)c([O-])c(OC)c1 ZINC001158238852 1033981234 /nfs/dbraw/zinc/98/12/34/1033981234.db2.gz JIQXCSOCJACKPU-UHFFFAOYSA-N -1 3 375.377 3.794 20 0 GHADHM CC[C@H]1c2ccccc2CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001158651694 1034215895 /nfs/dbraw/zinc/21/58/95/1034215895.db2.gz FCDONVUDKOAUDL-KRWDZBQOSA-N -1 3 378.881 3.819 20 0 GHADHM CC(C)(COCc1ccccc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158792886 1034272934 /nfs/dbraw/zinc/27/29/34/1034272934.db2.gz RDMLGEYEQOSZPJ-IYARVYRRSA-N -1 3 383.492 3.568 20 0 GHADHM C[C@H]1C[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)CCN1C(=O)OC(C)(C)C ZINC001231076758 1034381223 /nfs/dbraw/zinc/38/12/23/1034381223.db2.gz PFLYRMLWMUJJGY-RYUDHWBXSA-N -1 3 377.416 3.641 20 0 GHADHM O=C(Nc1nc2cc(Br)cnc2[nH]1)c1cc2c(cc1[O-])CCCC2 ZINC001159146065 1034451577 /nfs/dbraw/zinc/45/15/77/1034451577.db2.gz NTWPVVLKFRTMPF-UHFFFAOYSA-N -1 3 387.237 3.557 20 0 GHADHM CC(C)N1CC[C@@H](Oc2cc(Br)c([O-])cc2Br)C1 ZINC001231241408 1034479119 /nfs/dbraw/zinc/47/91/19/1034479119.db2.gz BCHAVDCAOCMULB-SECBINFHSA-N -1 3 379.092 3.779 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)nc1Cl)Cc1c([O-])c(C)ncc1CO ZINC001207624018 1034494806 /nfs/dbraw/zinc/49/48/06/1034494806.db2.gz ZUMRJTOVIGYLLN-UHFFFAOYSA-N -1 3 389.805 3.677 20 0 GHADHM CCOC(=O)c1c(N)n(-c2cc(F)cc(F)c2[O-])c2c1cc(F)cc2NC ZINC001159409011 1034586115 /nfs/dbraw/zinc/58/61/15/1034586115.db2.gz MPHZXJPWIUXCHJ-UHFFFAOYSA-N -1 3 379.338 3.554 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001159550955 1034658846 /nfs/dbraw/zinc/65/88/46/1034658846.db2.gz BLVWQXJKBVDVSJ-UHFFFAOYSA-N -1 3 392.253 3.705 20 0 GHADHM [O-]c1ccc(CN2CCC3(CCCN3c3ncccn3)CC2)cc1C(F)(F)F ZINC001231522834 1034674139 /nfs/dbraw/zinc/67/41/39/1034674139.db2.gz KOHIKSPWCLFEFY-UHFFFAOYSA-N -1 3 392.425 3.836 20 0 GHADHM O=C1C[C@@H]2[C@H](CCN2Cc2ccc([O-])c(C(F)(F)F)c2)N1c1ccsc1 ZINC001231522318 1034674185 /nfs/dbraw/zinc/67/41/85/1034674185.db2.gz OGNXWOYHNFVHJA-LSDHHAIUSA-N -1 3 382.407 3.852 20 0 GHADHM [O-]c1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)cc1C(F)(F)F ZINC001231525281 1034677246 /nfs/dbraw/zinc/67/72/46/1034677246.db2.gz YXUIDCPDHMVKCC-UHFFFAOYSA-N -1 3 390.409 3.863 20 0 GHADHM [O-]c1ccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)cc1C(F)(F)F ZINC001231525144 1034677497 /nfs/dbraw/zinc/67/74/97/1034677497.db2.gz XICIDJHJHDBLPI-UHFFFAOYSA-N -1 3 387.789 3.898 20 0 GHADHM COc1ccc(OC2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)nc1 ZINC001231527875 1034680726 /nfs/dbraw/zinc/68/07/26/1034680726.db2.gz UJWZNGZBRFFOSH-UHFFFAOYSA-N -1 3 382.382 3.858 20 0 GHADHM Cc1ccc([O-])c(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)n1 ZINC001231676397 1034826802 /nfs/dbraw/zinc/82/68/02/1034826802.db2.gz FXWFLYBKUXWPCQ-HNNXBMFYSA-N -1 3 390.325 3.737 20 0 GHADHM Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccc(Cl)c([O-])c2)CC3)n1 ZINC001231730954 1034867852 /nfs/dbraw/zinc/86/78/52/1034867852.db2.gz LYLWJGHMCDZKDR-UHFFFAOYSA-N -1 3 399.922 3.906 20 0 GHADHM COC(=O)c1ccc(CN2CCN(Cc3ccc(Cl)c([O-])c3)[C@H](C)C2)cc1 ZINC001231733779 1034869036 /nfs/dbraw/zinc/86/90/36/1034869036.db2.gz HBIHELZNONKCSY-OAHLLOKOSA-N -1 3 388.895 3.539 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001208386148 1034878649 /nfs/dbraw/zinc/87/86/49/1034878649.db2.gz XJKFXJUGDWPBFH-RYUDHWBXSA-N -1 3 399.406 3.598 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001208386147 1034879337 /nfs/dbraw/zinc/87/93/37/1034879337.db2.gz XJKFXJUGDWPBFH-NWDGAFQWSA-N -1 3 399.406 3.598 20 0 GHADHM COc1ccc(CN2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC001231752037 1034882536 /nfs/dbraw/zinc/88/25/36/1034882536.db2.gz HMEVCSWYNPWJJL-HSZRJFAPSA-N -1 3 398.478 3.773 20 0 GHADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001208480742 1034910549 /nfs/dbraw/zinc/91/05/49/1034910549.db2.gz CHMUHFMTTHXYGU-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN([C@@H](C)c3ccccc3)C2)sc1Cl ZINC001208534108 1034927323 /nfs/dbraw/zinc/92/73/23/1034927323.db2.gz HATMNUYNWAUETQ-DZGCQCFKSA-N -1 3 384.954 3.824 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(F)cc1Br ZINC001208609186 1034953103 /nfs/dbraw/zinc/95/31/03/1034953103.db2.gz BGOMJSRRZFNSMK-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC001160625613 1035019660 /nfs/dbraw/zinc/01/96/60/1035019660.db2.gz VBFMKIVQDFPUMS-INIZCTEOSA-N -1 3 386.467 3.967 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1-c1ccccc1 ZINC001160948426 1035102320 /nfs/dbraw/zinc/10/23/20/1035102320.db2.gz KAKODSJXBXMWCR-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1-c1ccccc1 ZINC001160948426 1035102326 /nfs/dbraw/zinc/10/23/26/1035102326.db2.gz KAKODSJXBXMWCR-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1ccc(C)cc1 ZINC001208976012 1035136773 /nfs/dbraw/zinc/13/67/73/1035136773.db2.gz FKDWLQVWWKANOA-LBPRGKRZSA-N -1 3 387.274 3.721 20 0 GHADHM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001161102719 1035142347 /nfs/dbraw/zinc/14/23/47/1035142347.db2.gz DXSWEFUIIGNBBT-CPFSXVBKSA-N -1 3 384.661 3.836 20 0 GHADHM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001161102721 1035142373 /nfs/dbraw/zinc/14/23/73/1035142373.db2.gz DXSWEFUIIGNBBT-UHLUBPPHSA-N -1 3 384.661 3.836 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1(C)C ZINC001161280469 1035200271 /nfs/dbraw/zinc/20/02/71/1035200271.db2.gz NQUXTIBJFKDJNJ-OAQYLSRUSA-N -1 3 396.447 3.914 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)c2c1=O ZINC001161520945 1035248852 /nfs/dbraw/zinc/24/88/52/1035248852.db2.gz GSLNPBVGJDAMPW-LLVKDONJSA-N -1 3 392.381 3.971 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)c2c1=O ZINC001161521740 1035249659 /nfs/dbraw/zinc/24/96/59/1035249659.db2.gz SLWNPBYCIURRPP-QGZVFWFLSA-N -1 3 382.464 3.548 20 0 GHADHM COc1ccc(OC)c(NC(=S)Nc2cc(Br)ccc2[O-])c1 ZINC001245687676 1036973602 /nfs/dbraw/zinc/97/36/02/1036973602.db2.gz OJCDGYPUTCJJSS-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1=O ZINC001232935433 1038716805 /nfs/dbraw/zinc/71/68/05/1038716805.db2.gz JZIMZVNPODIVNQ-QFIPXVFZSA-N -1 3 386.442 3.817 20 0 GHADHM O=C1N(CC2CCCC2)CCC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232972505 1038745224 /nfs/dbraw/zinc/74/52/24/1038745224.db2.gz OINMTFWFNZBWNG-UHFFFAOYSA-N -1 3 378.463 3.675 20 0 GHADHM [O-]c1cccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1F ZINC001233051921 1038807083 /nfs/dbraw/zinc/80/70/83/1038807083.db2.gz ZDTZKGGYLQHJLJ-GOSISDBHSA-N -1 3 385.483 3.664 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC001252869408 1039222752 /nfs/dbraw/zinc/22/27/52/1039222752.db2.gz TUKOLTGLSWNWNF-UHFFFAOYSA-N -1 3 388.427 3.794 20 0 GHADHM COc1ccc(CN2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c(Cl)c1[O-] ZINC001233397798 1039233713 /nfs/dbraw/zinc/23/37/13/1039233713.db2.gz MUUUOMIIQFYOPK-CYBMUJFWSA-N -1 3 384.904 3.886 20 0 GHADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001233593382 1039465370 /nfs/dbraw/zinc/46/53/70/1039465370.db2.gz WUIMCFAEFHCRRS-CYBMUJFWSA-N -1 3 383.872 3.901 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2cc(F)c([O-])c(F)c2)cc1 ZINC001253425732 1039622310 /nfs/dbraw/zinc/62/23/10/1039622310.db2.gz LBRHZYBVDAVYPD-OAHLLOKOSA-N -1 3 379.403 3.598 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCOCC2)c1C ZINC001254166366 1040019058 /nfs/dbraw/zinc/01/90/58/1040019058.db2.gz DVFONDLEIDVWFH-UHFFFAOYSA-N -1 3 392.496 3.697 20 0 GHADHM COC(=O)Cc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1C ZINC001254166870 1040020257 /nfs/dbraw/zinc/02/02/57/1040020257.db2.gz QDOBTIXYFSTFOR-UHFFFAOYSA-N -1 3 375.490 3.745 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(OC[C@H]3CCCO3)c-2o1 ZINC001234734859 1040262302 /nfs/dbraw/zinc/26/23/02/1040262302.db2.gz WTSLILZTXLNIKX-CYBMUJFWSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1C(C)=O ZINC001234794086 1040324831 /nfs/dbraw/zinc/32/48/31/1040324831.db2.gz YIGLJQSFAPLJKI-BLLLJJGKSA-N -1 3 393.480 3.936 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC001254590274 1040363901 /nfs/dbraw/zinc/36/39/01/1040363901.db2.gz CBZGQWKEFLXGGY-ZDUSSCGKSA-N -1 3 399.285 3.787 20 0 GHADHM Cc1c(Br)cnc(Cl)c1[N-]S(=O)(=O)c1ccccc1F ZINC001255416566 1041010895 /nfs/dbraw/zinc/01/08/95/1041010895.db2.gz NDRRIJVBGVXUIU-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM [O-]c1c(Cl)ccc(CN2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)c1Cl ZINC001278879176 1041209376 /nfs/dbraw/zinc/20/93/76/1041209376.db2.gz DYXNXTAJASBRGE-IBGZPJMESA-N -1 3 395.334 3.910 20 0 GHADHM [O-]c1c(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)cc(Cl)nc1Cl ZINC001235934883 1041438261 /nfs/dbraw/zinc/43/82/61/1041438261.db2.gz OWYHHKBPTTWMCM-HUUCEWRRSA-N -1 3 384.282 3.796 20 0 GHADHM CCOC(=O)c1nc2ccc(-c3cccc(Cl)c3CN3CCOCC3)cc2[n-]1 ZINC001236277790 1041653814 /nfs/dbraw/zinc/65/38/14/1041653814.db2.gz FMDHBOLTFZOFQN-UHFFFAOYSA-N -1 3 399.878 3.892 20 0 GHADHM CCOC(=O)c1nc2cc(-c3cccc(Cl)c3CN3CCOCC3)ccc2[n-]1 ZINC001236277790 1041653818 /nfs/dbraw/zinc/65/38/18/1041653818.db2.gz FMDHBOLTFZOFQN-UHFFFAOYSA-N -1 3 399.878 3.892 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(Br)c([O-])c3)CC[C@H]21 ZINC001236684340 1041830173 /nfs/dbraw/zinc/83/01/73/1041830173.db2.gz PYWHRXGCRHVNRI-UKRRQHHQSA-N -1 3 397.313 3.596 20 0 GHADHM [O-]c1cc(CN2CCN(c3nc4ccccc4o3)CC2)ccc1Br ZINC001236685568 1041831788 /nfs/dbraw/zinc/83/17/88/1041831788.db2.gz ODRWSKIQJFYSIN-UHFFFAOYSA-N -1 3 388.265 3.618 20 0 GHADHM COc1cc(OC2CCN(Cc3ccc(Br)c([O-])c3)CC2)ccn1 ZINC001236695717 1041836730 /nfs/dbraw/zinc/83/67/30/1041836730.db2.gz OKAQXWYVAUAPOD-UHFFFAOYSA-N -1 3 393.281 3.602 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)s1 ZINC001237148863 1042064505 /nfs/dbraw/zinc/06/45/05/1042064505.db2.gz BTHDPZDVPIJQRE-UHFFFAOYSA-N -1 3 376.869 3.932 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237157401 1042068660 /nfs/dbraw/zinc/06/86/60/1042068660.db2.gz FZSLWRCWWWMSIR-QGZVFWFLSA-N -1 3 387.933 3.868 20 0 GHADHM Cn1cnc2c1[C@H](COCC1CCCC1)CN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237157474 1042068831 /nfs/dbraw/zinc/06/88/31/1042068831.db2.gz GTAHTEOCHQNUPM-ZDUSSCGKSA-N -1 3 396.944 3.542 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1Cl)c1cnccc1Cl ZINC000722376418 1042075108 /nfs/dbraw/zinc/07/51/08/1042075108.db2.gz KTUANJFLCAWUMM-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3Cc3cccc(F)c3)c2)cc1 ZINC001237732284 1042344509 /nfs/dbraw/zinc/34/45/09/1042344509.db2.gz OBJSBZTZAPKBQG-UHFFFAOYSA-N -1 3 396.447 3.607 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(Br)cc3ccccc32)cc1 ZINC001237933263 1042426277 /nfs/dbraw/zinc/42/62/77/1042426277.db2.gz NFUMEIGWGVLUID-UHFFFAOYSA-N -1 3 377.263 3.985 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3ccc(F)cc3C(=O)[O-])C2)C1 ZINC001238233017 1042526815 /nfs/dbraw/zinc/52/68/15/1042526815.db2.gz HMLJSRWOMPSCPO-NRFANRHFSA-N -1 3 392.471 3.747 20 0 GHADHM CC[C@@H]1N(Cc2c(Br)ccc([O-])c2F)CCC[C@]12CCC(=O)N2C ZINC001238306090 1042548998 /nfs/dbraw/zinc/54/89/98/1042548998.db2.gz PDSBEDAONPFDPB-YJBOKZPZSA-N -1 3 399.304 3.659 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1cccc(F)c1Br ZINC001238801987 1042735470 /nfs/dbraw/zinc/73/54/70/1042735470.db2.gz ZKNIFCLYTYNHHC-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCCc2ccccc2)c(F)cc1Br ZINC001462694226 1070476601 /nfs/dbraw/zinc/47/66/01/1070476601.db2.gz GQPPTQVGDKGDGZ-UHFFFAOYSA-N -1 3 386.286 3.808 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc(F)c(Cl)cc2Cl)s1 ZINC001462708661 1070488021 /nfs/dbraw/zinc/48/80/21/1070488021.db2.gz PEUPNLAPSRFWLM-LURJTMIESA-N -1 3 385.269 3.637 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](C)c2cc(F)c(Cl)cc2Cl)s1 ZINC001462708674 1070488221 /nfs/dbraw/zinc/48/82/21/1070488221.db2.gz PEUPNLAPSRFWLM-ZCFIWIBFSA-N -1 3 385.269 3.637 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(=O)[n-]cn1 ZINC001291742450 1043436778 /nfs/dbraw/zinc/43/67/78/1043436778.db2.gz COAUWDQHUTWKDM-UHFFFAOYSA-N -1 3 380.351 3.501 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1F)C1CCOCC1)c1ccc(Cl)s1 ZINC001256541809 1043493251 /nfs/dbraw/zinc/49/32/51/1043493251.db2.gz QGGLDPXOHYYZBA-INIZCTEOSA-N -1 3 389.901 3.987 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccccc2C(F)(F)F)cc(Cl)c1[O-] ZINC001256680417 1043617834 /nfs/dbraw/zinc/61/78/34/1043617834.db2.gz AQZXSVOCRLHKJN-UHFFFAOYSA-N -1 3 395.786 3.552 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257284358 1043956372 /nfs/dbraw/zinc/95/63/72/1043956372.db2.gz DVFBEWUUPOCXMB-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2cccn2)c1)c1cccc(Cl)c1Cl ZINC001257284854 1043957312 /nfs/dbraw/zinc/95/73/12/1043957312.db2.gz XNGQRPFJTFGDOM-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=S(=O)([N-]Cc1cncn1Cc1ccccc1)c1cccc(Cl)c1Cl ZINC001257299837 1043960633 /nfs/dbraw/zinc/96/06/33/1043960633.db2.gz AWMICHCECVHXKC-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1F)C1CC1)c1cccc(Cl)c1Cl ZINC001257306512 1043961512 /nfs/dbraw/zinc/96/15/12/1043961512.db2.gz NYIVRBKZYDLMST-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)c(F)cc1F ZINC001462771936 1070536371 /nfs/dbraw/zinc/53/63/71/1070536371.db2.gz VGBAPFWFKMNYMK-UHFFFAOYSA-N -1 3 381.322 3.650 20 0 GHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)n1)c1ccccc1 ZINC001462800826 1070555034 /nfs/dbraw/zinc/55/50/34/1070555034.db2.gz HYCGYQKPMFEFAE-AWEZNQCLSA-N -1 3 383.311 3.562 20 0 GHADHM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001293599384 1044259356 /nfs/dbraw/zinc/25/93/56/1044259356.db2.gz XFPAFYSAJSJFEW-AWEZNQCLSA-N -1 3 381.863 3.580 20 0 GHADHM CCCCC[C@H](CCC)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001258673264 1044705461 /nfs/dbraw/zinc/70/54/61/1044705461.db2.gz JZIJPMPGEADBKS-HOTGVXAUSA-N -1 3 386.583 3.766 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c(F)ccc(Cl)c1F)C(=O)C2 ZINC001258972669 1044912112 /nfs/dbraw/zinc/91/21/12/1044912112.db2.gz INIMPEQZEMHRJF-FVMDXXJSSA-N -1 3 377.840 3.755 20 0 GHADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)cc2o1 ZINC001258986173 1044918981 /nfs/dbraw/zinc/91/89/81/1044918981.db2.gz CBMMKLUZPJVZBR-ADLMAVQZSA-N -1 3 396.896 3.927 20 0 GHADHM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001295108001 1044919208 /nfs/dbraw/zinc/91/92/08/1044919208.db2.gz OJTAQWAHTGOPGQ-UHFFFAOYSA-N -1 3 393.487 3.613 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001295133566 1044926995 /nfs/dbraw/zinc/92/69/95/1044926995.db2.gz GHCRGNDYVPQLLQ-UHFFFAOYSA-N -1 3 392.496 3.510 20 0 GHADHM Cc1c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cccc1C(F)(F)F ZINC001259042797 1044931109 /nfs/dbraw/zinc/93/11/09/1044931109.db2.gz GYBYCSYCTVWWOJ-UHFFFAOYSA-N -1 3 383.313 3.910 20 0 GHADHM CCOC(=O)/C=C(\[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C(F)(F)F ZINC001259050052 1044936079 /nfs/dbraw/zinc/93/60/79/1044936079.db2.gz IBYOXRIQMBSBHA-VBKFSLOCSA-N -1 3 399.390 3.641 20 0 GHADHM CC(C)(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259060075 1044942198 /nfs/dbraw/zinc/94/21/98/1044942198.db2.gz LIGDQFPWOROXLH-UHFFFAOYSA-N -1 3 392.315 3.949 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc2C1)c1ccc(Br)s1 ZINC001259062702 1044942852 /nfs/dbraw/zinc/94/28/52/1044942852.db2.gz BYJWXHZBQQZSMO-JTQLQIEISA-N -1 3 390.349 3.506 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)c(F)c2)c(C)c1 ZINC001259100903 1044962225 /nfs/dbraw/zinc/96/22/25/1044962225.db2.gz SUDHCMQCXPNZDG-INIZCTEOSA-N -1 3 379.453 3.801 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2F)cc1 ZINC001259177407 1044993534 /nfs/dbraw/zinc/99/35/34/1044993534.db2.gz WMGAOJFORFKLAB-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM CCCC[C@@](CC)([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001259244544 1045039609 /nfs/dbraw/zinc/03/96/09/1045039609.db2.gz BBTCHJYXBIHNTL-QGZVFWFLSA-N -1 3 375.918 3.662 20 0 GHADHM COc1cc(Br)c([N-]S(=O)(=O)c2ccccc2OC)cc1C ZINC001259300594 1045065107 /nfs/dbraw/zinc/06/51/07/1045065107.db2.gz QNZYKEHEUNSUFZ-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(C)C)cc1 ZINC001259326406 1045079169 /nfs/dbraw/zinc/07/91/69/1045079169.db2.gz NEJQKROOHLOQQO-UHFFFAOYSA-N -1 3 379.453 3.856 20 0 GHADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c([O-])c1 ZINC001295674248 1045094003 /nfs/dbraw/zinc/09/40/03/1045094003.db2.gz JPBYQHMMZCSMNL-OAHLLOKOSA-N -1 3 379.243 3.543 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C)c1Br ZINC001259357811 1045099033 /nfs/dbraw/zinc/09/90/33/1045099033.db2.gz TYOZSSZAPVELRS-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259361198 1045099830 /nfs/dbraw/zinc/09/98/30/1045099830.db2.gz JFRZSNMIIQMNSD-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM CCCc1nc2ccc([N-]S(=O)(=O)c3ccc(-n4cccn4)cc3)cc2o1 ZINC001259369686 1045104723 /nfs/dbraw/zinc/10/47/23/1045104723.db2.gz OJCJCRXZJJKCOF-UHFFFAOYSA-N -1 3 382.445 3.767 20 0 GHADHM Cc1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259385249 1045114396 /nfs/dbraw/zinc/11/43/96/1045114396.db2.gz ZXBGYLSTFBFQKR-UHFFFAOYSA-N -1 3 387.461 3.633 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)n1 ZINC001259423880 1045142574 /nfs/dbraw/zinc/14/25/74/1045142574.db2.gz CUPPWOQWJSQVQY-UHFFFAOYSA-N -1 3 393.209 3.555 20 0 GHADHM O=S(=O)([N-]c1ccc(C2CCOCC2)cc1)c1ccc(OC(F)F)cc1 ZINC001259431175 1045148416 /nfs/dbraw/zinc/14/84/16/1045148416.db2.gz YLOYPFYPWVWAID-UHFFFAOYSA-N -1 3 383.416 3.983 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)ccc1N1CCCC1 ZINC001259431928 1045150076 /nfs/dbraw/zinc/15/00/76/1045150076.db2.gz FOMIOVFVIPVOHQ-UHFFFAOYSA-N -1 3 398.431 3.698 20 0 GHADHM COc1ccc(C[C@@H](C)CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001295854512 1045169027 /nfs/dbraw/zinc/16/90/27/1045169027.db2.gz RAURISYPWVOIBR-GFCCVEGCSA-N -1 3 378.266 3.772 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1ccc(Cl)cc1 ZINC001259514380 1045216095 /nfs/dbraw/zinc/21/60/95/1045216095.db2.gz JEQLBQFFBVBJEJ-RFAUZJTJSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1nc2ccc(C(=O)Nc3ccc(I)cc3[O-])cc2o1 ZINC001296291966 1045296420 /nfs/dbraw/zinc/29/64/20/1045296420.db2.gz XCDFKDSOCFMWAF-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1ccc(Br)c(F)c1F ZINC001259773112 1045297031 /nfs/dbraw/zinc/29/70/31/1045297031.db2.gz HQNVHPJNGGSIQY-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM CCCCCC[C@@](CC)([N-]S(=O)(=O)CCC(F)(F)F)C(=O)OCC ZINC001259877438 1045327523 /nfs/dbraw/zinc/32/75/23/1045327523.db2.gz GMHOVKXGSMATNC-CQSZACIVSA-N -1 3 375.453 3.541 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC001260011065 1045354315 /nfs/dbraw/zinc/35/43/15/1045354315.db2.gz XDONZSOZUMALCM-UHFFFAOYSA-N -1 3 390.848 3.866 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1F ZINC001260033042 1045364060 /nfs/dbraw/zinc/36/40/60/1045364060.db2.gz BBJDQTJVRXWFBP-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM COc1cc(Br)ccc1CNC(=O)c1cc(SC)ccc1[O-] ZINC001296741478 1045365664 /nfs/dbraw/zinc/36/56/64/1045365664.db2.gz AKRGHLOGKDTKRS-UHFFFAOYSA-N -1 3 382.279 3.815 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2Br)c2ccncc12 ZINC001260087318 1045377425 /nfs/dbraw/zinc/37/74/25/1045377425.db2.gz VCIKCHGWJKDCDM-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM CN(CCCOCc1ccccc1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001296885044 1045392311 /nfs/dbraw/zinc/39/23/11/1045392311.db2.gz FYRJTDNHYJZPRZ-UHFFFAOYSA-N -1 3 384.863 3.860 20 0 GHADHM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)c1 ZINC001260147243 1045397482 /nfs/dbraw/zinc/39/74/82/1045397482.db2.gz HRFNAFCKWPOWGA-UHFFFAOYSA-N -1 3 398.484 3.908 20 0 GHADHM CCc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1 ZINC001260273929 1045437776 /nfs/dbraw/zinc/43/77/76/1045437776.db2.gz NVPJQDZUWNMHJV-UHFFFAOYSA-N -1 3 398.328 3.904 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1Br ZINC001260291788 1045448231 /nfs/dbraw/zinc/44/82/31/1045448231.db2.gz SEOMXKZSDHSRBB-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC001260297012 1045449705 /nfs/dbraw/zinc/44/97/05/1045449705.db2.gz NTGKBYOEAJROMV-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COC[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccc(Cl)cc1 ZINC001297149456 1045465287 /nfs/dbraw/zinc/46/52/87/1045465287.db2.gz YNVUKYUGGUJHEH-INIZCTEOSA-N -1 3 383.778 3.628 20 0 GHADHM Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260452147 1045498553 /nfs/dbraw/zinc/49/85/53/1045498553.db2.gz CXIPVLAEYSWMGF-UHFFFAOYSA-N -1 3 381.356 3.504 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2C)c1 ZINC001260458398 1045501122 /nfs/dbraw/zinc/50/11/22/1045501122.db2.gz SVVREQDMBYYUON-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CC(=O)N(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC001260472503 1045508495 /nfs/dbraw/zinc/50/84/95/1045508495.db2.gz NEDBRWRZJURMFX-UHFFFAOYSA-N -1 3 393.317 3.516 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC001260499895 1045518350 /nfs/dbraw/zinc/51/83/50/1045518350.db2.gz CPNTVVHUUCNWPE-UHFFFAOYSA-N -1 3 379.331 3.924 20 0 GHADHM COc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC001260559042 1045546347 /nfs/dbraw/zinc/54/63/47/1045546347.db2.gz NVAMUKVGADMWNU-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2c(Cl)nccc2C(C)=O)cc1 ZINC001260573516 1045560251 /nfs/dbraw/zinc/56/02/51/1045560251.db2.gz HVKHYDXETGJEHZ-UHFFFAOYSA-N -1 3 382.869 3.917 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OCC)c2)cc1 ZINC001260576926 1045562483 /nfs/dbraw/zinc/56/24/83/1045562483.db2.gz ARXOFHNOBKKUOR-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccccc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609412 1045587657 /nfs/dbraw/zinc/58/76/57/1045587657.db2.gz GZZQGYOOTIRYII-UONOGXRCSA-N -1 3 389.883 3.543 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001297734750 1045613169 /nfs/dbraw/zinc/61/31/69/1045613169.db2.gz XUBJNZPVQXBHSM-UHFFFAOYSA-N -1 3 384.476 3.803 20 0 GHADHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1cc(-c2ccccc2F)no1 ZINC001260699892 1045616717 /nfs/dbraw/zinc/61/67/17/1045616717.db2.gz LUMIRCZUXBLYRI-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)ccc1F ZINC001260760363 1045640982 /nfs/dbraw/zinc/64/09/82/1045640982.db2.gz FOUZAMRBLQOHDB-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(CO)cc1Cl ZINC001260786931 1045664475 /nfs/dbraw/zinc/66/44/75/1045664475.db2.gz JAUVDBFTCUWPKP-UHFFFAOYSA-N -1 3 376.261 3.604 20 0 GHADHM CCCCCCOC(=O)C[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001260826164 1045693451 /nfs/dbraw/zinc/69/34/51/1045693451.db2.gz ZPXBYWWLJAFHNL-UHFFFAOYSA-N -1 3 382.309 3.536 20 0 GHADHM CCCC[C@@](CC)([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCC ZINC001260837292 1045705307 /nfs/dbraw/zinc/70/53/07/1045705307.db2.gz RDKWSEDRDLKAQN-QGZVFWFLSA-N -1 3 375.918 3.662 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Br)c1C ZINC001260991056 1045805663 /nfs/dbraw/zinc/80/56/63/1045805663.db2.gz ATWJGXMVVWAJES-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)cccc21)c1ccc(F)cc1C(F)(F)F ZINC001261011036 1045829995 /nfs/dbraw/zinc/82/99/95/1045829995.db2.gz CVIYQRYVGOXHOX-CYBMUJFWSA-N -1 3 393.333 3.786 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Cc1ccncc1 ZINC001261013544 1045836603 /nfs/dbraw/zinc/83/66/03/1045836603.db2.gz FXNFVADDIZCPCU-UHFFFAOYSA-N -1 3 390.402 3.787 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001298512935 1045843547 /nfs/dbraw/zinc/84/35/47/1045843547.db2.gz FTONZGJKSXMIIT-NSHDSACASA-N -1 3 380.213 3.792 20 0 GHADHM O=C([N-]C1(c2ccccc2)COC1)C(F)(F)c1ccc(Br)cc1 ZINC001463064696 1070767861 /nfs/dbraw/zinc/76/78/61/1070767861.db2.gz FBLGHTSVFANDCU-UHFFFAOYSA-N -1 3 382.204 3.583 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@](C)(OC)CC1 ZINC001263008222 1046496206 /nfs/dbraw/zinc/49/62/06/1046496206.db2.gz RXHXLEYYTHABTP-FQEVSTJZSA-N -1 3 392.931 3.838 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(CSc3ccccc3)cc1)C2 ZINC001301715735 1046672763 /nfs/dbraw/zinc/67/27/63/1046672763.db2.gz IZOBYMMEJJEOPS-UHFFFAOYSA-N -1 3 377.469 3.939 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001301887848 1046746069 /nfs/dbraw/zinc/74/60/69/1046746069.db2.gz JKIKXFQDTYWUNG-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001301887848 1046746082 /nfs/dbraw/zinc/74/60/82/1046746082.db2.gz JKIKXFQDTYWUNG-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM CSCCC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463121701 1070820173 /nfs/dbraw/zinc/82/01/73/1070820173.db2.gz NTYRHHDLMFMCGI-UHFFFAOYSA-N -1 3 396.481 3.860 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2CC(C)C)cc(=O)[n-]1 ZINC001263419362 1046802284 /nfs/dbraw/zinc/80/22/84/1046802284.db2.gz IHEMVXXYYLVGEJ-OAHLLOKOSA-N -1 3 384.509 3.808 20 0 GHADHM CC(C)Oc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1Br ZINC001302316243 1046907707 /nfs/dbraw/zinc/90/77/07/1046907707.db2.gz CTRAJKJMHQZWKI-UHFFFAOYSA-N -1 3 393.216 3.899 20 0 GHADHM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001302436352 1046940154 /nfs/dbraw/zinc/94/01/54/1046940154.db2.gz HRPXPZVZEMYMOM-NRFANRHFSA-N -1 3 386.451 3.540 20 0 GHADHM CON(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC001302626411 1047012363 /nfs/dbraw/zinc/01/23/63/1047012363.db2.gz JMPAUZDGRJPTNO-MRXNPFEDSA-N -1 3 399.487 3.911 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](c2nccn2C)c2cccc(F)c2)c1 ZINC001264283707 1047296179 /nfs/dbraw/zinc/29/61/79/1047296179.db2.gz NONZHHBZRFLVBT-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM COC(=O)[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c2ccccc21 ZINC001303162765 1047297138 /nfs/dbraw/zinc/29/71/38/1047297138.db2.gz KGUCUVSVANVYRF-CVEARBPZSA-N -1 3 381.325 3.574 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1[O-] ZINC001303793039 1047513839 /nfs/dbraw/zinc/51/38/39/1047513839.db2.gz VAGQVEDSZCZEGX-SFHVURJKSA-N -1 3 387.407 3.547 20 0 GHADHM Cc1cccc(-c2ccc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)n2C)c1 ZINC001304132061 1047595383 /nfs/dbraw/zinc/59/53/83/1047595383.db2.gz NKBKOGZVIWAPPJ-LLVKDONJSA-N -1 3 377.370 3.628 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(N2CCCCC2)cc1 ZINC001304819651 1047781632 /nfs/dbraw/zinc/78/16/32/1047781632.db2.gz LDULIEVAIITQBM-SAABIXHNSA-N -1 3 380.492 3.629 20 0 GHADHM CN(Cc1cccs1)c1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900074276 1047958364 /nfs/dbraw/zinc/95/83/64/1047958364.db2.gz QLBJVGMCQWPDEW-SFHVURJKSA-N -1 3 396.516 3.904 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccnn3CC3CCC3)n[n-]2)cc1 ZINC001305444332 1048056952 /nfs/dbraw/zinc/05/69/52/1048056952.db2.gz DXDZCOWBQRDDHW-UHFFFAOYSA-N -1 3 382.493 3.654 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cc(-n4cccc4)ccn3)n[n-]2)cc1 ZINC001305445710 1048058637 /nfs/dbraw/zinc/05/86/37/1048058637.db2.gz JREMFPHBLLCKFC-UHFFFAOYSA-N -1 3 390.472 3.843 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC001463307788 1070977692 /nfs/dbraw/zinc/97/76/92/1070977692.db2.gz LHDCRHXXTSAITF-CQSZACIVSA-N -1 3 381.812 3.946 20 0 GHADHM CCCOc1nc(C)ccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC001306839862 1048922691 /nfs/dbraw/zinc/92/26/91/1048922691.db2.gz VRECQCQMRSJHBK-UHFFFAOYSA-N -1 3 377.404 3.962 20 0 GHADHM CCCOc1nc(C)ccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001306839862 1048922693 /nfs/dbraw/zinc/92/26/93/1048922693.db2.gz VRECQCQMRSJHBK-UHFFFAOYSA-N -1 3 377.404 3.962 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[n-]1 ZINC001306872900 1048937572 /nfs/dbraw/zinc/93/75/72/1048937572.db2.gz BBRIUMSXRARMHI-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM O=c1cc(CN2CCO[C@H](CCc3ccccc3)C2)nc(-c2ccccc2)[n-]1 ZINC001307666678 1049490913 /nfs/dbraw/zinc/49/09/13/1049490913.db2.gz MXURRNDTDOPRSZ-OAQYLSRUSA-N -1 3 375.472 3.683 20 0 GHADHM Cn1ccnc1[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)c(F)c1 ZINC001289606570 1049559302 /nfs/dbraw/zinc/55/93/02/1049559302.db2.gz FVSLIIZCCHZTIT-INIZCTEOSA-N -1 3 399.294 3.774 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3csc(C(C)(C)C)n3)nc21 ZINC001289643281 1049572962 /nfs/dbraw/zinc/57/29/62/1049572962.db2.gz BTRPJUMSMUEBJI-UHFFFAOYSA-N -1 3 386.477 3.675 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cccc2ncccc12)C(F)(F)F ZINC001307856161 1049639032 /nfs/dbraw/zinc/63/90/32/1049639032.db2.gz HMVYZOTUOGASLR-MRXNPFEDSA-N -1 3 385.389 3.845 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2occc2Br)C(C)C)cc1 ZINC001309018512 1050277511 /nfs/dbraw/zinc/27/75/11/1050277511.db2.gz GZQVPRUULQSZCJ-CQSZACIVSA-N -1 3 388.283 3.726 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1Cl ZINC001327925201 1050327184 /nfs/dbraw/zinc/32/71/84/1050327184.db2.gz IKZRXJRBJIUMFO-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCCC1)c1ccc(Cl)c2nonc21 ZINC001309104035 1050356587 /nfs/dbraw/zinc/35/65/87/1050356587.db2.gz KNGQIHITHIKJNX-UHFFFAOYSA-N -1 3 395.843 3.763 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001309150672 1050405046 /nfs/dbraw/zinc/40/50/46/1050405046.db2.gz YTQBPFBBGYIYSZ-STQMWFEESA-N -1 3 375.332 3.727 20 0 GHADHM O=S(=O)([N-]CCCO[C@H]1CCCc2ccccc21)c1cnc(Cl)c(F)c1 ZINC001309195024 1050457195 /nfs/dbraw/zinc/45/71/95/1050457195.db2.gz SVYCJHQNZJAYHG-KRWDZBQOSA-N -1 3 398.887 3.637 20 0 GHADHM CCOc1cc(CCC[N-]S(=O)(=O)c2cc(C)c(F)cc2F)ccc1OC ZINC001309204549 1050469852 /nfs/dbraw/zinc/46/98/52/1050469852.db2.gz VKQLHGBRQPZANW-UHFFFAOYSA-N -1 3 399.459 3.592 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)Cc1cccs1 ZINC001309250943 1050520604 /nfs/dbraw/zinc/52/06/04/1050520604.db2.gz XGBXVTUVUHKDQX-SNVBAGLBSA-N -1 3 397.415 3.943 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1)c1noc(-c2ccccc2)n1 ZINC001309311106 1050581234 /nfs/dbraw/zinc/58/12/34/1050581234.db2.gz RKPFFSYEDLQKEN-JTQLQIEISA-N -1 3 397.378 3.853 20 0 GHADHM Cc1ccc(C2(C[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)CCC2)cc1C ZINC001309455782 1050732420 /nfs/dbraw/zinc/73/24/20/1050732420.db2.gz GAXKRAJPTGXSTM-UHFFFAOYSA-N -1 3 382.888 3.891 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C)c(-c2ccccc2)s1 ZINC001309518116 1050778184 /nfs/dbraw/zinc/77/81/84/1050778184.db2.gz GQLGFHVZJNBBPW-IRXDYDNUSA-N -1 3 396.578 3.686 20 0 GHADHM O=S(=O)([N-]CCCc1ccco1)c1cccc(Cl)c1Br ZINC001309719442 1050937094 /nfs/dbraw/zinc/93/70/94/1050937094.db2.gz UKCKCNMRRBDDBG-UHFFFAOYSA-N -1 3 378.675 3.607 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(Cl)cc1C(F)(F)F ZINC001309907178 1051037015 /nfs/dbraw/zinc/03/70/15/1051037015.db2.gz FLTNHBOTJDCICK-YPMHNXCESA-N -1 3 383.819 3.595 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001310249705 1051249801 /nfs/dbraw/zinc/24/98/01/1051249801.db2.gz DWTFDLSDRNWFCP-MRVPVSSYSA-N -1 3 375.326 3.633 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001310834074 1051630539 /nfs/dbraw/zinc/63/05/39/1051630539.db2.gz YACHRORJQYESRK-QGZVFWFLSA-N -1 3 386.839 3.766 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)c(=O)[n-]1 ZINC001334130809 1051908943 /nfs/dbraw/zinc/90/89/43/1051908943.db2.gz YCLBFBZNKUHDCS-UHFFFAOYSA-N -1 3 391.296 3.514 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001334180878 1051915897 /nfs/dbraw/zinc/91/58/97/1051915897.db2.gz VWBUOQILQPZJDA-ZDUSSCGKSA-N -1 3 394.431 3.549 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001311263711 1051976341 /nfs/dbraw/zinc/97/63/41/1051976341.db2.gz JNKVJQBCBOJJFP-HNNXBMFYSA-N -1 3 386.839 3.766 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)c(Cl)c1 ZINC001335873758 1052194621 /nfs/dbraw/zinc/19/46/21/1052194621.db2.gz FFKALNCUXYIVFJ-UHFFFAOYSA-N -1 3 396.900 3.666 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2CC(C)C)cc(=O)[n-]1 ZINC001343025225 1053504621 /nfs/dbraw/zinc/50/46/21/1053504621.db2.gz GRTGODUXYJYLCG-GOSISDBHSA-N -1 3 378.480 3.747 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC001318392581 1054608358 /nfs/dbraw/zinc/60/83/58/1054608358.db2.gz NRHDCLBOCPCLJY-UHFFFAOYSA-N -1 3 376.460 3.717 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCCN(Cc2ccccc2)C1 ZINC001345745789 1055239054 /nfs/dbraw/zinc/23/90/54/1055239054.db2.gz PGINURTZXBBFDX-PQNGQFLHSA-N -1 3 398.547 3.829 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001319427026 1055243950 /nfs/dbraw/zinc/24/39/50/1055243950.db2.gz COTXUUXYAQDMDG-UHFFFAOYSA-N -1 3 387.436 3.514 20 0 GHADHM CCCCCC(C)(C)CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319549672 1055319188 /nfs/dbraw/zinc/31/91/88/1055319188.db2.gz WYIWDAKDZKASKF-UHFFFAOYSA-N -1 3 387.521 3.603 20 0 GHADHM C/C(=C\c1ccccc1Cl)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319592824 1055349041 /nfs/dbraw/zinc/34/90/41/1055349041.db2.gz GGVTYRJSJZQLDI-ZRDIBKRKSA-N -1 3 396.871 3.570 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)c2)cc1 ZINC001200550167 1056298963 /nfs/dbraw/zinc/29/89/63/1056298963.db2.gz WFUPEIBNYIKCOH-UHFFFAOYSA-N -1 3 396.472 3.680 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(F)(F)F)ccc1F ZINC001200582218 1056390550 /nfs/dbraw/zinc/39/05/50/1056390550.db2.gz GEJGPVMAEOVRKQ-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC001321865702 1056424080 /nfs/dbraw/zinc/42/40/80/1056424080.db2.gz BQYLEPJSICWBDP-UHFFFAOYSA-N -1 3 390.480 3.518 20 0 GHADHM Cc1n[n-]c(S(=O)(=O)[C@@H](C)c2ncc(-c3ccc(Cl)c(Cl)c3)o2)n1 ZINC001322052356 1056491955 /nfs/dbraw/zinc/49/19/55/1056491955.db2.gz OULYNXJKGNAUMD-ZETCQYMHSA-N -1 3 387.248 3.610 20 0 GHADHM Cc1nnc(S(=O)(=O)[C@@H](C)c2ncc(-c3ccc(Cl)c(Cl)c3)o2)[n-]1 ZINC001322052356 1056491964 /nfs/dbraw/zinc/49/19/64/1056491964.db2.gz OULYNXJKGNAUMD-ZETCQYMHSA-N -1 3 387.248 3.610 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2C1 ZINC000848193930 1056846540 /nfs/dbraw/zinc/84/65/40/1056846540.db2.gz AYOSQYLNLZQURS-UHFFFAOYSA-N -1 3 396.447 3.563 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001354669911 1056879332 /nfs/dbraw/zinc/87/93/32/1056879332.db2.gz LHSYGSNUYVLOAW-UHFFFAOYSA-N -1 3 398.440 3.530 20 0 GHADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1oc(C2CC2)nc1C(F)F ZINC001354770612 1056934647 /nfs/dbraw/zinc/93/46/47/1056934647.db2.gz VWJLVXBUWKHTAH-UHFFFAOYSA-N -1 3 390.795 3.799 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CCCCCCC2)ccc1F ZINC001354906124 1056979810 /nfs/dbraw/zinc/97/98/10/1056979810.db2.gz LKTJRYAKKKXCAE-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM Cc1ccc(OCc2nc(CC(=O)Nc3n[n-]c(-c4ccco4)n3)cs2)cc1 ZINC001355061702 1057037713 /nfs/dbraw/zinc/03/77/13/1057037713.db2.gz RLFUENBLARGSGC-UHFFFAOYSA-N -1 3 395.444 3.590 20 0 GHADHM COc1cccc(C[C@@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001355254453 1057097060 /nfs/dbraw/zinc/09/70/60/1057097060.db2.gz JTPSDXSGGUEMPX-AWEZNQCLSA-N -1 3 398.409 3.662 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@H](C)c3ccc(C(F)(F)F)cc3)n2C)cc(=O)[n-]1 ZINC001355358922 1057130694 /nfs/dbraw/zinc/13/06/94/1057130694.db2.gz MGCURLGNMDYUBB-SNVBAGLBSA-N -1 3 392.385 3.502 20 0 GHADHM Cc1ncc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)o1 ZINC001355507776 1057191037 /nfs/dbraw/zinc/19/10/37/1057191037.db2.gz TUDUIGBXNHBEEX-UHFFFAOYSA-N -1 3 399.472 3.582 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1c(F)cc(OC)cc1F ZINC001356002397 1057351751 /nfs/dbraw/zinc/35/17/51/1057351751.db2.gz UQIKLGYSUJCNGB-UHFFFAOYSA-N -1 3 397.399 3.975 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001326416081 1057478947 /nfs/dbraw/zinc/47/89/47/1057478947.db2.gz ANKAGCCJBDYHDL-IBGZPJMESA-N -1 3 379.435 3.512 20 0 GHADHM COc1ccccc1[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])N1CCCC1 ZINC001440394051 1058511974 /nfs/dbraw/zinc/51/19/74/1058511974.db2.gz YJRLZYMXGCGYMR-LJQANCHMSA-N -1 3 391.471 3.516 20 0 GHADHM CCOc1ccc([C@@H](NC(=O)c2cccc3n[n-]nc32)C(C)C)cc1OCC ZINC001440701604 1058588300 /nfs/dbraw/zinc/58/83/00/1058588300.db2.gz INYMOWZJQUKZNH-IBGZPJMESA-N -1 3 382.464 3.882 20 0 GHADHM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001441342095 1058754100 /nfs/dbraw/zinc/75/41/00/1058754100.db2.gz KLRGTENEQZDDTB-SNVBAGLBSA-N -1 3 387.274 3.739 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]c4c3C[C@H](C)CC4)c2)n1 ZINC001441565384 1058817934 /nfs/dbraw/zinc/81/79/34/1058817934.db2.gz SZQBCAPZAIVOPX-GFCCVEGCSA-N -1 3 377.448 3.512 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])N(C)C)cc1 ZINC001442471873 1058965441 /nfs/dbraw/zinc/96/54/41/1058965441.db2.gz UGFBATQGFMONBE-HXUWFJFHSA-N -1 3 392.455 3.806 20 0 GHADHM COc1ccc2cc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)ccc2n1 ZINC001443054892 1059054506 /nfs/dbraw/zinc/05/45/06/1059054506.db2.gz YVAGHZDIFRCIAG-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1NC(N)=O ZINC001339300340 1059084869 /nfs/dbraw/zinc/08/48/69/1059084869.db2.gz HXWQBESMYCANCF-UHFFFAOYSA-N -1 3 391.493 3.593 20 0 GHADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001443704683 1059179339 /nfs/dbraw/zinc/17/93/39/1059179339.db2.gz KVERFHVVASYCGH-OAHLLOKOSA-N -1 3 376.497 3.893 20 0 GHADHM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc([O-])cc(Br)c1 ZINC001443791062 1059206449 /nfs/dbraw/zinc/20/64/49/1059206449.db2.gz OTIPYJWRZVNJTA-UHFFFAOYSA-N -1 3 393.212 3.673 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1C ZINC001339450150 1059221015 /nfs/dbraw/zinc/22/10/15/1059221015.db2.gz ZPCWQHCFXRNWDB-UHFFFAOYSA-N -1 3 388.420 3.512 20 0 GHADHM Cc1nnc(-c2cccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)c2)o1 ZINC001444263912 1059293659 /nfs/dbraw/zinc/29/36/59/1059293659.db2.gz NCZGWDZPAIMGLC-UHFFFAOYSA-N -1 3 380.791 3.792 20 0 GHADHM COc1cccc([O-])c1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001444566898 1059339974 /nfs/dbraw/zinc/33/99/74/1059339974.db2.gz XDXKKFMJPFCXHM-UHFFFAOYSA-N -1 3 376.250 3.625 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC001445075079 1059452855 /nfs/dbraw/zinc/45/28/55/1059452855.db2.gz FONRCZOFNOZSHH-OAHLLOKOSA-N -1 3 383.395 3.991 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001445714568 1059598729 /nfs/dbraw/zinc/59/87/29/1059598729.db2.gz SZDTUACGRSOCIQ-GFCCVEGCSA-N -1 3 399.800 3.777 20 0 GHADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc(I)cc1 ZINC001445885407 1059647765 /nfs/dbraw/zinc/64/77/65/1059647765.db2.gz WKAFWRXBBUPDRD-SNVBAGLBSA-N -1 3 399.203 3.556 20 0 GHADHM COC(=O)CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCC1 ZINC001445920342 1059654805 /nfs/dbraw/zinc/65/48/05/1059654805.db2.gz CKRPLQPZZXZQHS-UHFFFAOYSA-N -1 3 381.472 3.735 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-]CC(=O)OCc1ccc(Cl)cc1 ZINC001446744113 1059848216 /nfs/dbraw/zinc/84/82/16/1059848216.db2.gz RJXNDSWNSHQYBS-UHFFFAOYSA-N -1 3 397.805 3.690 20 0 GHADHM COC(=O)c1cc(-c2ccccc2CNC(=O)c2ccc(C(C)C)cc2[O-])[nH]n1 ZINC001446928431 1059905558 /nfs/dbraw/zinc/90/55/58/1059905558.db2.gz OKBCVTVYHFUZJB-UHFFFAOYSA-N -1 3 393.443 3.622 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)c([O-])c1 ZINC001447059546 1059923804 /nfs/dbraw/zinc/92/38/04/1059923804.db2.gz GSKWLBHLKPRSRZ-UHFFFAOYSA-N -1 3 396.365 3.899 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2OCC(C)C)c([O-])c1 ZINC001447062405 1059924113 /nfs/dbraw/zinc/92/41/13/1059924113.db2.gz PFCWVVVEJIQDSC-UHFFFAOYSA-N -1 3 387.432 3.865 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c([O-])c1 ZINC001447065076 1059925373 /nfs/dbraw/zinc/92/53/73/1059925373.db2.gz XDECOIJGZVZMBQ-IBGZPJMESA-N -1 3 382.460 3.562 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001447365670 1059955747 /nfs/dbraw/zinc/95/57/47/1059955747.db2.gz SJDVCCLUGJVDGH-UHFFFAOYSA-N -1 3 397.435 3.983 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2ccc(I)cc2[O-])c(F)c1 ZINC001447631479 1059991622 /nfs/dbraw/zinc/99/16/22/1059991622.db2.gz TVUJPYUTYPDIOM-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001340813896 1060153539 /nfs/dbraw/zinc/15/35/39/1060153539.db2.gz YNPYGOKMZNZLAF-OAHLLOKOSA-N -1 3 385.769 3.992 20 0 GHADHM O=C(CCSc1ccccc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC001340813422 1060153576 /nfs/dbraw/zinc/15/35/76/1060153576.db2.gz VTJBFJWEJSDHSN-UHFFFAOYSA-N -1 3 393.266 3.948 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001450055773 1060513426 /nfs/dbraw/zinc/51/34/26/1060513426.db2.gz MPHPYSQGUABAAV-INIZCTEOSA-N -1 3 391.254 3.641 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)s1 ZINC001450357033 1060580677 /nfs/dbraw/zinc/58/06/77/1060580677.db2.gz CUPGOPMXSXZNSE-LBPRGKRZSA-N -1 3 397.884 3.607 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3cccc(N[C@@H](C)C(C)C)c3C)c2c(=O)n1C ZINC001452042312 1060888003 /nfs/dbraw/zinc/88/80/03/1060888003.db2.gz MEAVWFNYQPYSEO-AWEZNQCLSA-N -1 3 381.480 3.587 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3[n-]nc4cc(C)n(C)c(=O)c43)s2)c(C)c1 ZINC001452046339 1060888465 /nfs/dbraw/zinc/88/84/65/1060888465.db2.gz CARNHJAZIUJSIC-UHFFFAOYSA-N -1 3 393.472 3.563 20 0 GHADHM O=C(NCc1nc(-c2ccccn2)cs1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001452493735 1060948060 /nfs/dbraw/zinc/94/80/60/1060948060.db2.gz ISCMXRDSVGDJTH-UHFFFAOYSA-N -1 3 396.859 3.630 20 0 GHADHM CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cc2)cc1 ZINC001452729015 1060995248 /nfs/dbraw/zinc/99/52/48/1060995248.db2.gz QVXGYVCZBBQMRC-QGZVFWFLSA-N -1 3 391.427 3.740 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@@H]1c1ccc(Br)cc1 ZINC001453938374 1061231043 /nfs/dbraw/zinc/23/10/43/1061231043.db2.gz WJJZCBHLTCPXBD-OAHLLOKOSA-N -1 3 384.233 3.685 20 0 GHADHM CCn1c(CN(C)[C@@H](C)Cc2ccc(OC)cc2)nc2cc(C(=O)[O-])ccc21 ZINC001346241537 1061472720 /nfs/dbraw/zinc/47/27/20/1061472720.db2.gz LYDHGYINXWCTFF-HNNXBMFYSA-N -1 3 381.476 3.826 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccc(OC)cc3)CC2)c1 ZINC001346611506 1061729778 /nfs/dbraw/zinc/72/97/78/1061729778.db2.gz IWNZMJYALHNQEA-UHFFFAOYSA-N -1 3 380.444 3.545 20 0 GHADHM COc1cccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c1Cl ZINC001346689300 1061793152 /nfs/dbraw/zinc/79/31/52/1061793152.db2.gz UNDKAPVQNUQWSS-CABCVRRESA-N -1 3 381.806 3.927 20 0 GHADHM CN1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1c1ccc(F)cc1 ZINC001545813509 1062017926 /nfs/dbraw/zinc/01/79/26/1062017926.db2.gz IXFUMCPDKVJFFS-UXHICEINSA-N -1 3 380.419 3.565 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001455670414 1062253293 /nfs/dbraw/zinc/25/32/93/1062253293.db2.gz DYZCMHQVXZWHSQ-MAUKXSAKSA-N -1 3 375.513 3.832 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC001435096909 1062290286 /nfs/dbraw/zinc/29/02/86/1062290286.db2.gz KVAMXVFIGVEAAD-UHFFFAOYSA-N -1 3 391.748 3.914 20 0 GHADHM CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001456078310 1062469924 /nfs/dbraw/zinc/46/99/24/1062469924.db2.gz QYXRTIMTBRYIHY-GFCCVEGCSA-N -1 3 393.361 3.947 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(-c4ccccc4)s3)C2)n1 ZINC001347670402 1062565856 /nfs/dbraw/zinc/56/58/56/1062565856.db2.gz DGKQIPPOHVVFER-INIZCTEOSA-N -1 3 394.500 3.618 20 0 GHADHM C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383740 1062651264 /nfs/dbraw/zinc/65/12/64/1062651264.db2.gz LVXRPWMYXWWDLT-VIFPVBQESA-N -1 3 399.373 3.662 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385980 1062653341 /nfs/dbraw/zinc/65/33/41/1062653341.db2.gz AARGEYNBSYHZRU-GSGCRYEPSA-N -1 3 382.386 3.891 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001456795162 1062859824 /nfs/dbraw/zinc/85/98/24/1062859824.db2.gz DNLXKSUBRYRJLL-DLBZAZTESA-N -1 3 379.391 3.648 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001456795162 1062859851 /nfs/dbraw/zinc/85/98/51/1062859851.db2.gz DNLXKSUBRYRJLL-DLBZAZTESA-N -1 3 379.391 3.648 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)n1 ZINC001456800036 1062865753 /nfs/dbraw/zinc/86/57/53/1062865753.db2.gz MMUJIIKKVHKJNM-UHFFFAOYSA-N -1 3 399.838 3.586 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)n1 ZINC001456800036 1062865815 /nfs/dbraw/zinc/86/58/15/1062865815.db2.gz MMUJIIKKVHKJNM-UHFFFAOYSA-N -1 3 399.838 3.586 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)cc1F ZINC001456799996 1062866923 /nfs/dbraw/zinc/86/69/23/1062866923.db2.gz LXEOEHSHYLXAQS-GFCCVEGCSA-N -1 3 385.370 3.787 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)cc1F ZINC001456799996 1062866944 /nfs/dbraw/zinc/86/69/44/1062866944.db2.gz LXEOEHSHYLXAQS-GFCCVEGCSA-N -1 3 385.370 3.787 20 0 GHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)sc1Br ZINC001456931418 1062922216 /nfs/dbraw/zinc/92/22/16/1062922216.db2.gz CCNGIKUUUFHAHD-XYPYZODXSA-N -1 3 396.310 3.771 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H](O)[C@H](C)c3ccc(C)cc3)n[n-]2)cc1 ZINC001457170836 1062996958 /nfs/dbraw/zinc/99/69/58/1062996958.db2.gz WAMNIZRKBIIHTK-QAPCUYQASA-N -1 3 396.516 3.817 20 0 GHADHM CCCCn1ncc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1C ZINC001457171232 1062997050 /nfs/dbraw/zinc/99/70/50/1062997050.db2.gz XTXTWMIATMAZTN-UHFFFAOYSA-N -1 3 384.509 3.963 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)c([O-])c1 ZINC001457577966 1063260133 /nfs/dbraw/zinc/26/01/33/1063260133.db2.gz UDRDUGREBZSMLN-UHFFFAOYSA-N -1 3 391.851 3.926 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001457652461 1063295652 /nfs/dbraw/zinc/29/56/52/1063295652.db2.gz JYHBMCNUUZTADO-HNNXBMFYSA-N -1 3 392.496 3.700 20 0 GHADHM Cc1nc(NC(=O)c2c([O-])cccc2O)sc1Cc1c(F)cccc1F ZINC001457779806 1063361369 /nfs/dbraw/zinc/36/13/69/1063361369.db2.gz SYBAWHCYAHGRQA-UHFFFAOYSA-N -1 3 376.384 3.984 20 0 GHADHM O=C(Nc1nccc2cc(Br)ccc21)c1cc2c(cc1[O-])OCO2 ZINC001457848329 1063400329 /nfs/dbraw/zinc/40/03/29/1063400329.db2.gz FQRZNBZPCUGQJU-UHFFFAOYSA-N -1 3 387.189 3.684 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001457942683 1063458734 /nfs/dbraw/zinc/45/87/34/1063458734.db2.gz SSBGCPWEOXKEHW-UHFFFAOYSA-N -1 3 380.485 3.558 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C1CCC2(CC2)CC1)C(F)(F)F ZINC001436908617 1063702571 /nfs/dbraw/zinc/70/25/71/1063702571.db2.gz GDSQXVZMSLCFGM-HNNXBMFYSA-N -1 3 380.410 3.593 20 0 GHADHM Cc1cccc(C)c1-n1nnnc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001458857973 1063949276 /nfs/dbraw/zinc/94/92/76/1063949276.db2.gz JZKNPNWIEPCLGI-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM COc1ccc(NC(C)=O)cc1N(C(=O)c1c[n-]c2ccccc2c1=O)C(C)C ZINC001459381596 1064080680 /nfs/dbraw/zinc/08/06/80/1064080680.db2.gz XRZALIBCZBWLQL-UHFFFAOYSA-N -1 3 393.443 3.550 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(C)c(F)c1 ZINC001463418073 1064331222 /nfs/dbraw/zinc/33/12/22/1064331222.db2.gz KKFQOTLAERMTOI-CYBMUJFWSA-N -1 3 376.247 3.919 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@H](C)[C@@H]1OC ZINC001463425162 1064338675 /nfs/dbraw/zinc/33/86/75/1064338675.db2.gz CKJFNPBRHMKJQS-XKQJLSEDSA-N -1 3 394.562 3.928 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CN2CCCCC2)c2ccccc2)cc1F ZINC001463522109 1064431658 /nfs/dbraw/zinc/43/16/58/1064431658.db2.gz YCPYGADZYJLXRS-IBGZPJMESA-N -1 3 394.487 3.779 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccs2)c(F)cc1Br ZINC001463535973 1064443713 /nfs/dbraw/zinc/44/37/13/1064443713.db2.gz JBKDMSLNDPKNPQ-SECBINFHSA-N -1 3 378.288 3.998 20 0 GHADHM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC001463592415 1064486116 /nfs/dbraw/zinc/48/61/16/1064486116.db2.gz WPGGWBUUKQNWFM-OAHLLOKOSA-N -1 3 388.316 3.931 20 0 GHADHM C[C@H](CC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)c1ccccc1 ZINC001463611645 1064498782 /nfs/dbraw/zinc/49/87/82/1064498782.db2.gz RVGZESDEKCWXIP-LLVKDONJSA-N -1 3 381.910 3.817 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1cc(Br)ccc1F ZINC001463613447 1064501489 /nfs/dbraw/zinc/50/14/89/1064501489.db2.gz AQOALUURYZHXMO-GXTWGEPZSA-N -1 3 376.291 3.835 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCN1C1CCCCC1)c1c(Cl)ccc(F)c1F ZINC001463613384 1064501708 /nfs/dbraw/zinc/50/17/08/1064501708.db2.gz NPLHHLGFPZHFKX-ZDUSSCGKSA-N -1 3 392.899 3.694 20 0 GHADHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001463696450 1064556306 /nfs/dbraw/zinc/55/63/06/1064556306.db2.gz MGIYFZPZGFFRJJ-YPMHNXCESA-N -1 3 394.320 3.702 20 0 GHADHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC001463738793 1064580016 /nfs/dbraw/zinc/58/00/16/1064580016.db2.gz LAWUZAVUQJIKRA-INIZCTEOSA-N -1 3 391.386 3.685 20 0 GHADHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)N(CC)CC)cc1 ZINC001463791745 1064621396 /nfs/dbraw/zinc/62/13/96/1064621396.db2.gz IYYRQDVOTOJPIS-IBGZPJMESA-N -1 3 396.503 3.889 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(C)cc2)c(F)c1 ZINC001463920294 1064718801 /nfs/dbraw/zinc/71/88/01/1064718801.db2.gz NPCQTRHPZOQXFR-UHFFFAOYSA-N -1 3 393.480 3.610 20 0 GHADHM COC(=O)c1ccc(-c2csc([N-]C(=O)c3c(F)ccnc3F)n2)cc1 ZINC001351981226 1064744971 /nfs/dbraw/zinc/74/49/71/1064744971.db2.gz JUMAENBUTLHMLW-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCCO1 ZINC001463974388 1064747915 /nfs/dbraw/zinc/74/79/15/1064747915.db2.gz CQLJLECUVJPYKV-VXGBXAGGSA-N -1 3 396.734 3.729 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cccc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC001464062675 1064795550 /nfs/dbraw/zinc/79/55/50/1064795550.db2.gz ZKCUIHUIUIXENR-INIZCTEOSA-N -1 3 397.283 3.554 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc3-n3ccnc32)sc1Cl ZINC001464127207 1064841523 /nfs/dbraw/zinc/84/15/23/1064841523.db2.gz WMOLANFNIDPFGT-ZDUSSCGKSA-N -1 3 393.921 3.861 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)COc2ccccc2O1 ZINC001464153489 1064866696 /nfs/dbraw/zinc/86/66/96/1064866696.db2.gz YTBIBAQUZSEFFR-MRXNPFEDSA-N -1 3 388.272 3.502 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001464318359 1064953378 /nfs/dbraw/zinc/95/33/78/1064953378.db2.gz FPPKQZJNALXYGU-UHFFFAOYSA-N -1 3 388.399 3.798 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000847253470 1064955995 /nfs/dbraw/zinc/95/59/95/1064955995.db2.gz FQSCFFBIUKDCBX-UHFFFAOYSA-N -1 3 389.353 3.709 20 0 GHADHM CCSc1ccccc1CC[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001464467214 1065028732 /nfs/dbraw/zinc/02/87/32/1065028732.db2.gz ZBSJVVHYIANGDN-UHFFFAOYSA-N -1 3 387.473 3.606 20 0 GHADHM O=S(=O)([N-]C[C@@]12C[C@@H]1CCCC2)c1cc(Cl)ccc1Br ZINC001464525760 1065063780 /nfs/dbraw/zinc/06/37/80/1065063780.db2.gz SDYBODLZROXCCL-IINYFYTJSA-N -1 3 378.719 3.961 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[O-] ZINC001464603788 1065106290 /nfs/dbraw/zinc/10/62/90/1065106290.db2.gz PIWNDNDQSUFEQP-LBPRGKRZSA-N -1 3 381.407 3.719 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC12CCCC2)c1cc(Cl)ccc1C(F)(F)F ZINC001464754841 1065192693 /nfs/dbraw/zinc/19/26/93/1065192693.db2.gz DKGHYUZYVDVXNH-ZDUSSCGKSA-N -1 3 383.819 3.739 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC001464814639 1065226478 /nfs/dbraw/zinc/22/64/78/1065226478.db2.gz DTYMUUKHGAYGEF-UONOGXRCSA-N -1 3 398.297 3.745 20 0 GHADHM O=C(N=c1sccn1Cc1ccccc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC001464819072 1065228587 /nfs/dbraw/zinc/22/85/87/1065228587.db2.gz BHTIZRAHYVJNAO-UHFFFAOYSA-N -1 3 384.848 3.976 20 0 GHADHM O=C(N=c1sccn1Cc1ccccc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC001464819072 1065228606 /nfs/dbraw/zinc/22/86/06/1065228606.db2.gz BHTIZRAHYVJNAO-UHFFFAOYSA-N -1 3 384.848 3.976 20 0 GHADHM O=C(NCCc1cccc2cccnc21)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464952383 1065287910 /nfs/dbraw/zinc/28/79/10/1065287910.db2.gz XUQBKTXAZZBEJF-UHFFFAOYSA-N -1 3 377.831 3.702 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000847535470 1065551987 /nfs/dbraw/zinc/55/19/87/1065551987.db2.gz HTSKGEDBILYHOD-LBPRGKRZSA-N -1 3 398.463 3.898 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001200196938 1065552886 /nfs/dbraw/zinc/55/28/86/1065552886.db2.gz IZFJXXGNMRIMOJ-LLVKDONJSA-N -1 3 384.406 3.943 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)[C@@H](c2ccccc2)CO1 ZINC001465448766 1065624421 /nfs/dbraw/zinc/62/44/21/1065624421.db2.gz ZAXIADCMXBEXCE-SCLBCKFNSA-N -1 3 382.847 3.784 20 0 GHADHM C/C(=C\c1ccncc1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000847569603 1065638298 /nfs/dbraw/zinc/63/82/98/1065638298.db2.gz FYGGXNIKDSRGJF-WYMLVPIESA-N -1 3 399.878 3.721 20 0 GHADHM Cc1cc(C(F)F)n2ncc(C(=O)[N-]c3nnc(-c4ccccc4)s3)c2n1 ZINC001353328018 1065874172 /nfs/dbraw/zinc/87/41/72/1065874172.db2.gz UNWCVRAPYXHIMC-UHFFFAOYSA-N -1 3 386.387 3.746 20 0 GHADHM O=C(Nc1cccc(CCC(F)(F)F)c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001465899974 1065914802 /nfs/dbraw/zinc/91/48/02/1065914802.db2.gz KDBYRNBJYZREQQ-UHFFFAOYSA-N -1 3 390.369 3.929 20 0 GHADHM O=C(Nc1cccc(CCC(F)(F)F)c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001465899974 1065914804 /nfs/dbraw/zinc/91/48/04/1065914804.db2.gz KDBYRNBJYZREQQ-UHFFFAOYSA-N -1 3 390.369 3.929 20 0 GHADHM Cc1ccc(-c2ncccc2NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)s1 ZINC001466212271 1066038010 /nfs/dbraw/zinc/03/80/10/1066038010.db2.gz IKABFWNWZCIWPZ-UHFFFAOYSA-N -1 3 391.460 3.866 20 0 GHADHM Cc1ccc(-c2ncccc2NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)s1 ZINC001466212271 1066038021 /nfs/dbraw/zinc/03/80/21/1066038021.db2.gz IKABFWNWZCIWPZ-UHFFFAOYSA-N -1 3 391.460 3.866 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(C3CCC3)cs2)c(Cl)c1 ZINC001353658424 1066116770 /nfs/dbraw/zinc/11/67/70/1066116770.db2.gz VECIZERTKSJIQQ-UHFFFAOYSA-N -1 3 385.898 3.688 20 0 GHADHM CCON(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001466684606 1066255140 /nfs/dbraw/zinc/25/51/40/1066255140.db2.gz UTLZTZHWFMDVLA-UHFFFAOYSA-N -1 3 391.493 3.910 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(F)c(F)c1 ZINC001353822518 1066286149 /nfs/dbraw/zinc/28/61/49/1066286149.db2.gz VCVYNEZHJIFCFE-NSHDSACASA-N -1 3 378.329 3.650 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(I)c(Cl)c2)n1 ZINC001467593000 1067376528 /nfs/dbraw/zinc/37/65/28/1067376528.db2.gz RRVRZYIZQBYWNN-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM Cc1cccc([C@H]2CCN(c3nnc(-c4cc(=O)[n-]c(C)n4)n3CC(C)C)C2)c1 ZINC001358104399 1067399495 /nfs/dbraw/zinc/39/94/95/1067399495.db2.gz FVMYKYYNTPNSMI-SFHVURJKSA-N -1 3 392.507 3.707 20 0 GHADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cnn(Cc2ccccc2)c1Cl ZINC000849232078 1067772392 /nfs/dbraw/zinc/77/23/92/1067772392.db2.gz OVHPRVGYGZELRZ-SJORKVTESA-N -1 3 375.900 3.954 20 0 GHADHM CCOC(=O)C(=Cc1cncc(OC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000849242639 1067775925 /nfs/dbraw/zinc/77/59/25/1067775925.db2.gz KGNZTBVVRXZCDI-VGOFMYFVSA-N -1 3 385.445 3.521 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Br)cc1F ZINC001468596334 1067784980 /nfs/dbraw/zinc/78/49/80/1067784980.db2.gz JNOXDHJVWCHZGY-QMMMGPOBSA-N -1 3 382.185 3.514 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc2ccccc2cc1OC(F)F ZINC001468756866 1067862440 /nfs/dbraw/zinc/86/24/40/1067862440.db2.gz RPZZNULNORWLHF-UHFFFAOYSA-N -1 3 395.369 3.797 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc2ccccc2cc1OC(F)F ZINC001468756866 1067862447 /nfs/dbraw/zinc/86/24/47/1067862447.db2.gz RPZZNULNORWLHF-UHFFFAOYSA-N -1 3 395.369 3.797 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468756366 1067862516 /nfs/dbraw/zinc/86/25/16/1067862516.db2.gz FXGRCCMAJJXGKB-NSHDSACASA-N -1 3 396.501 3.520 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468756366 1067862525 /nfs/dbraw/zinc/86/25/25/1067862525.db2.gz FXGRCCMAJJXGKB-NSHDSACASA-N -1 3 396.501 3.520 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2cc(Br)c(F)cc2C1 ZINC001468978849 1067942959 /nfs/dbraw/zinc/94/29/59/1067942959.db2.gz WFTQRPKKPSMWIZ-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)[n-]n1 ZINC000542833956 1068043256 /nfs/dbraw/zinc/04/32/56/1068043256.db2.gz NWNOTQIVXPMDIE-CQSZACIVSA-N -1 3 391.427 3.560 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)n[n-]1 ZINC000542833956 1068043271 /nfs/dbraw/zinc/04/32/71/1068043271.db2.gz NWNOTQIVXPMDIE-CQSZACIVSA-N -1 3 391.427 3.560 20 0 GHADHM CC1(C)CC(CNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001469825073 1068410346 /nfs/dbraw/zinc/41/03/46/1068410346.db2.gz LFCRSVNZRDAVNX-CQSZACIVSA-N -1 3 397.441 3.805 20 0 GHADHM COc1cc(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc(OC)c1[O-] ZINC001469890698 1068450422 /nfs/dbraw/zinc/45/04/22/1068450422.db2.gz XENOPYWCFCWVHE-UHFFFAOYSA-N -1 3 396.468 3.731 20 0 GHADHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2csnc2-c2ccccc2)cn1 ZINC001360730311 1068610307 /nfs/dbraw/zinc/61/03/07/1068610307.db2.gz CRJRESHHAKHUOS-UHFFFAOYSA-N -1 3 382.445 3.808 20 0 GHADHM O=C(NCC/C=C/c1ccc(Br)cc1)c1nnc2ccccc2c1[O-] ZINC001470477148 1072578479 /nfs/dbraw/zinc/57/84/79/1072578479.db2.gz OYLHVKWZLWMJAR-HWKANZROSA-N -1 3 398.260 3.931 20 0 GHADHM C/C=C/C[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001470793208 1072742660 /nfs/dbraw/zinc/74/26/60/1072742660.db2.gz YNZNDVPRMMRJRC-NFAHFFEMSA-N -1 3 396.528 3.721 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC001471027489 1072891220 /nfs/dbraw/zinc/89/12/20/1072891220.db2.gz HEYVVBZGWSBGHX-UHFFFAOYSA-N -1 3 378.350 3.873 20 0 GHADHM Cc1cc(C)c(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1Br ZINC001471677071 1073175320 /nfs/dbraw/zinc/17/53/20/1073175320.db2.gz HIWTXOTYTWRCSJ-UHFFFAOYSA-N -1 3 388.265 3.595 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001471787486 1073218726 /nfs/dbraw/zinc/21/87/26/1073218726.db2.gz PCCKCBDAJPEBOB-UHFFFAOYSA-N -1 3 388.399 3.798 20 0 GHADHM O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001471901493 1073252829 /nfs/dbraw/zinc/25/28/29/1073252829.db2.gz ZXMXPIPTNHQQIA-NRFANRHFSA-N -1 3 393.458 3.650 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112243 1073338027 /nfs/dbraw/zinc/33/80/27/1073338027.db2.gz YXRWVVUKKCUMKC-ZETCQYMHSA-N -1 3 375.782 3.660 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001472153246 1073348650 /nfs/dbraw/zinc/34/86/50/1073348650.db2.gz JWRWSVAAQDCBIA-WMZOPIPTSA-N -1 3 383.444 3.595 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Br)[N-]OCCOc1ccccc1 ZINC001472341713 1073434267 /nfs/dbraw/zinc/43/42/67/1073434267.db2.gz JOJDJRDYSBPECC-UHFFFAOYSA-N -1 3 384.657 3.772 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)[N-]OCCOc2ccccc2)CC1 ZINC001472341963 1073435291 /nfs/dbraw/zinc/43/52/91/1073435291.db2.gz OUBCGCARRJLBEI-UHFFFAOYSA-N -1 3 392.496 3.541 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c([O-])c1 ZINC001472439914 1073490412 /nfs/dbraw/zinc/49/04/12/1073490412.db2.gz JGIFFGYRTCDCNK-HZPDHXFCSA-N -1 3 380.460 3.593 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)NCCCCC2CC2)c2ccccc21)C(F)(F)F ZINC001479124199 1079113261 /nfs/dbraw/zinc/11/32/61/1079113261.db2.gz KNLSZEFBJDJPLU-HNNXBMFYSA-N -1 3 397.441 3.949 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC001472610055 1073573955 /nfs/dbraw/zinc/57/39/55/1073573955.db2.gz SCBSGYJPXLKGIC-LSDHHAIUSA-N -1 3 384.432 3.731 20 0 GHADHM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001472622760 1073581825 /nfs/dbraw/zinc/58/18/25/1073581825.db2.gz NRYSMQJNIZPGLK-SFHVURJKSA-N -1 3 386.879 3.570 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)n1 ZINC001472877132 1073707613 /nfs/dbraw/zinc/70/76/13/1073707613.db2.gz DLGFDFNHKKAZBZ-OAHLLOKOSA-N -1 3 398.555 3.957 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(Br)c(F)c1 ZINC001473381259 1073942166 /nfs/dbraw/zinc/94/21/66/1073942166.db2.gz PJOSKUSJYXILJC-UHFFFAOYSA-N -1 3 392.228 3.976 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)n1 ZINC001473857341 1074178241 /nfs/dbraw/zinc/17/82/41/1074178241.db2.gz NLQQUDNHYZHULS-CQSZACIVSA-N -1 3 384.480 3.957 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001474725386 1074534746 /nfs/dbraw/zinc/53/47/46/1074534746.db2.gz JRPQCCPBOKGDKK-ZDUSSCGKSA-N -1 3 385.302 3.596 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001474725385 1074534952 /nfs/dbraw/zinc/53/49/52/1074534952.db2.gz JRPQCCPBOKGDKK-CYBMUJFWSA-N -1 3 385.302 3.596 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1cc(Cl)ccc1F ZINC001474772302 1074553138 /nfs/dbraw/zinc/55/31/38/1074553138.db2.gz ACBWPBSMVAUZAA-QGZVFWFLSA-N -1 3 382.888 3.595 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cscc2Br)o1 ZINC001474853674 1074594482 /nfs/dbraw/zinc/59/44/82/1074594482.db2.gz YTVVSSLORFBWCN-PSASIEDQSA-N -1 3 376.297 3.706 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCOc2ccccc2C)c(-c2ccccc2)s1 ZINC001474862415 1074598333 /nfs/dbraw/zinc/59/83/33/1074598333.db2.gz RKWRHBXHCYKAQN-UHFFFAOYSA-N -1 3 388.514 3.784 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)N2CCCC2)cc1 ZINC001474896640 1074618505 /nfs/dbraw/zinc/61/85/05/1074618505.db2.gz GYAADDMAFPRVLG-IBGZPJMESA-N -1 3 394.487 3.697 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)s1 ZINC001474916850 1074631170 /nfs/dbraw/zinc/63/11/70/1074631170.db2.gz APSQNHPZLWEJRH-CYBMUJFWSA-N -1 3 394.440 3.846 20 0 GHADHM CCOc1cc(CCC[N-]S(=O)(=O)c2ccc(C)c(F)c2F)ccc1OC ZINC001474987659 1074669931 /nfs/dbraw/zinc/66/99/31/1074669931.db2.gz WBHBSRMGWHTNAF-UHFFFAOYSA-N -1 3 399.459 3.592 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c(-c2ccccc2)s1 ZINC001475080112 1074728291 /nfs/dbraw/zinc/72/82/91/1074728291.db2.gz MCYCVEFCHNEQPA-UHFFFAOYSA-N -1 3 386.498 3.627 20 0 GHADHM CCO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001475254735 1074807139 /nfs/dbraw/zinc/80/71/39/1074807139.db2.gz XWAAVEVPIOGBMP-QGZVFWFLSA-N -1 3 388.514 3.866 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2c(Cl)cccc2-n2ccnc2)cc1F ZINC001475329782 1074835863 /nfs/dbraw/zinc/83/58/63/1074835863.db2.gz PGOAUYVOVMCFJR-UHFFFAOYSA-N -1 3 397.834 3.591 20 0 GHADHM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC001475427100 1074871507 /nfs/dbraw/zinc/87/15/07/1074871507.db2.gz ZWQPXLOQKIGZSE-NWDGAFQWSA-N -1 3 390.814 3.897 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)c(C)c1Cl ZINC001475432392 1074873447 /nfs/dbraw/zinc/87/34/47/1074873447.db2.gz RJEZFWMANJOWKC-CHWSQXEVSA-N -1 3 399.921 3.579 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC001475533393 1074906839 /nfs/dbraw/zinc/90/68/39/1074906839.db2.gz XYHMHIHGBDWWFU-AWEZNQCLSA-N -1 3 383.407 3.718 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(Br)c1 ZINC001475577289 1074918840 /nfs/dbraw/zinc/91/88/40/1074918840.db2.gz ZHYXJJGUXGYUGZ-WJZNIJOASA-N -1 3 396.734 3.501 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)cccc1OC(F)F)c1ccc(F)cc1F ZINC001475585975 1074920863 /nfs/dbraw/zinc/92/08/63/1074920863.db2.gz QOXJKLOYRREPHI-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)c1OC ZINC001475615144 1074927908 /nfs/dbraw/zinc/92/79/08/1074927908.db2.gz GXNZBSWUSYQNHV-CQSZACIVSA-N -1 3 391.823 3.642 20 0 GHADHM O=S(=O)([N-]CCc1sccc1Br)c1ccc(Cl)cc1F ZINC001475625828 1074929824 /nfs/dbraw/zinc/92/98/24/1074929824.db2.gz XRXBUMVTTSWAHN-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM CC(C)n1cnc2ccc(C[N-]S(=O)(=O)c3cc(F)c(F)cc3F)cc21 ZINC001475634558 1074990065 /nfs/dbraw/zinc/99/00/65/1074990065.db2.gz IFPLVEKJNXWTAR-UHFFFAOYSA-N -1 3 383.395 3.513 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(Cl)c1Cl ZINC001475656582 1074993988 /nfs/dbraw/zinc/99/39/88/1074993988.db2.gz RBSYUJIRSCFOMQ-KWQFWETISA-N -1 3 392.226 3.772 20 0 GHADHM CCc1onc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001475718623 1075007664 /nfs/dbraw/zinc/00/76/64/1075007664.db2.gz DQBMCXKRCBOWMD-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCc1cc(Br)cnc1F ZINC001601657408 1126223098 /nfs/dbraw/zinc/22/30/98/1126223098.db2.gz LGEMQGGYOTZONR-CQSZACIVSA-N -1 3 393.212 3.515 20 0 GHADHM O=C([O-])[C@H](Cc1cncs1)NCc1nc(-c2ccccc2Cl)cs1 ZINC001601664173 1126226620 /nfs/dbraw/zinc/22/66/20/1126226620.db2.gz ZVIIWXQIXREGAO-ZDUSSCGKSA-N -1 3 379.894 3.706 20 0 GHADHM O=c1nc(CS(=O)(=O)c2ccccc2)[n-]c2scc(-c3ccccc3)c21 ZINC000013362356 210058930 /nfs/dbraw/zinc/05/89/30/210058930.db2.gz NNCPSRZDJGUSEQ-UHFFFAOYSA-N -1 3 382.466 3.626 20 0 GHADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736381729 598823502 /nfs/dbraw/zinc/82/35/02/598823502.db2.gz JXTCHRRBSDDWQZ-MEDUHNTESA-N -1 3 388.374 3.607 20 0 GHADHM CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736381729 598823503 /nfs/dbraw/zinc/82/35/03/598823503.db2.gz JXTCHRRBSDDWQZ-MEDUHNTESA-N -1 3 388.374 3.607 20 0 GHADHM CCCCSCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736462692 598830611 /nfs/dbraw/zinc/83/06/11/598830611.db2.gz ISTIRJYXWYYIDD-UHFFFAOYSA-N -1 3 398.492 3.916 20 0 GHADHM CCCCSCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736462692 598830612 /nfs/dbraw/zinc/83/06/12/598830612.db2.gz ISTIRJYXWYYIDD-UHFFFAOYSA-N -1 3 398.492 3.916 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cccc(F)c1 ZINC000738112181 598835136 /nfs/dbraw/zinc/83/51/36/598835136.db2.gz MQPXMUJBGJHCGT-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736164540 598844848 /nfs/dbraw/zinc/84/48/48/598844848.db2.gz YEVJSIXTLZTXDV-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000736634548 598851005 /nfs/dbraw/zinc/85/10/05/598851005.db2.gz LDEDYIDZKUYRLC-UHFFFAOYSA-N -1 3 390.350 3.511 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000736634548 598851007 /nfs/dbraw/zinc/85/10/07/598851007.db2.gz LDEDYIDZKUYRLC-UHFFFAOYSA-N -1 3 390.350 3.511 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736229987 598852383 /nfs/dbraw/zinc/85/23/83/598852383.db2.gz QFNAANWMEYVBRL-FQEVSTJZSA-N -1 3 380.427 3.591 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736229987 598852385 /nfs/dbraw/zinc/85/23/85/598852385.db2.gz QFNAANWMEYVBRL-FQEVSTJZSA-N -1 3 380.427 3.591 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735633737 598856291 /nfs/dbraw/zinc/85/62/91/598856291.db2.gz RNFBIGCDHCEXSE-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735633737 598856293 /nfs/dbraw/zinc/85/62/93/598856293.db2.gz RNFBIGCDHCEXSE-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)cc(-c2nc(C3CCOCC3)no2)c1 ZINC000738421296 598860506 /nfs/dbraw/zinc/86/05/06/598860506.db2.gz QYKTXWWLZOCZKJ-UHFFFAOYSA-N -1 3 390.403 3.603 20 0 GHADHM COC(=O)[C@H](N[C@H](CC(C)C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736892625 598884208 /nfs/dbraw/zinc/88/42/08/598884208.db2.gz AVVSRHMIZIHBOO-WOJBJXKFSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@H](N[C@H](CC(C)C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736892625 598884210 /nfs/dbraw/zinc/88/42/10/598884210.db2.gz AVVSRHMIZIHBOO-WOJBJXKFSA-N -1 3 393.491 3.766 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000736040566 598886282 /nfs/dbraw/zinc/88/62/82/598886282.db2.gz QAVSILONMAMHPF-NSHDSACASA-N -1 3 392.337 3.510 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000736040566 598886283 /nfs/dbraw/zinc/88/62/83/598886283.db2.gz QAVSILONMAMHPF-NSHDSACASA-N -1 3 392.337 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000736038702 598889348 /nfs/dbraw/zinc/88/93/48/598889348.db2.gz WSDKVHUUPCSGEM-CYBMUJFWSA-N -1 3 398.850 3.562 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000736038702 598889350 /nfs/dbraw/zinc/88/93/50/598889350.db2.gz WSDKVHUUPCSGEM-CYBMUJFWSA-N -1 3 398.850 3.562 20 0 GHADHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736742594 598926657 /nfs/dbraw/zinc/92/66/57/598926657.db2.gz PZXLATJNLFWJLH-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736742594 598926658 /nfs/dbraw/zinc/92/66/58/598926658.db2.gz PZXLATJNLFWJLH-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736421702 598927696 /nfs/dbraw/zinc/92/76/96/598927696.db2.gz CGFZWPBZWOBWRB-KRWDZBQOSA-N -1 3 379.464 3.754 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736421702 598927697 /nfs/dbraw/zinc/92/76/97/598927697.db2.gz CGFZWPBZWOBWRB-KRWDZBQOSA-N -1 3 379.464 3.754 20 0 GHADHM CC(C)OCCCN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735896233 598940624 /nfs/dbraw/zinc/94/06/24/598940624.db2.gz NHEXGUISSOWTGF-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CC(C)OCCCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735896233 598940626 /nfs/dbraw/zinc/94/06/26/598940626.db2.gz NHEXGUISSOWTGF-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCC1 ZINC000735856533 598940721 /nfs/dbraw/zinc/94/07/21/598940721.db2.gz JPVMZOMXKHLZQN-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCC1 ZINC000735856533 598940723 /nfs/dbraw/zinc/94/07/23/598940723.db2.gz JPVMZOMXKHLZQN-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1cccc2ccccc21 ZINC000737031337 598984227 /nfs/dbraw/zinc/98/42/27/598984227.db2.gz GKKQFKIMYHHKQI-UHFFFAOYSA-N -1 3 375.432 3.544 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1cccc2ccccc21 ZINC000737031337 598984230 /nfs/dbraw/zinc/98/42/30/598984230.db2.gz GKKQFKIMYHHKQI-UHFFFAOYSA-N -1 3 375.432 3.544 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)(C)C ZINC000736100320 598987459 /nfs/dbraw/zinc/98/74/59/598987459.db2.gz YGNZZFMZNVYRMD-OAHLLOKOSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)(C)C ZINC000736100320 598987462 /nfs/dbraw/zinc/98/74/62/598987462.db2.gz YGNZZFMZNVYRMD-OAHLLOKOSA-N -1 3 393.491 3.952 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737386211 599018641 /nfs/dbraw/zinc/01/86/41/599018641.db2.gz BFWWZJDBZFUFLO-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737386211 599018642 /nfs/dbraw/zinc/01/86/42/599018642.db2.gz BFWWZJDBZFUFLO-KRWDZBQOSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000737389564 599019120 /nfs/dbraw/zinc/01/91/20/599019120.db2.gz PPVUKXAIUUQQJU-JXFKEZNVSA-N -1 3 393.491 3.764 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000737389564 599019122 /nfs/dbraw/zinc/01/91/22/599019122.db2.gz PPVUKXAIUUQQJU-JXFKEZNVSA-N -1 3 393.491 3.764 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736227539 599022158 /nfs/dbraw/zinc/02/21/58/599022158.db2.gz LHHBMRDIOQEXBX-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736227539 599022159 /nfs/dbraw/zinc/02/21/59/599022159.db2.gz LHHBMRDIOQEXBX-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000736166309 599026511 /nfs/dbraw/zinc/02/65/11/599026511.db2.gz ZUNQWFSGNKHLIX-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000131000338 599033890 /nfs/dbraw/zinc/03/38/90/599033890.db2.gz PVPNFHYPXDAHCL-ZIAGYGMSSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000131000338 599033892 /nfs/dbraw/zinc/03/38/92/599033892.db2.gz PVPNFHYPXDAHCL-ZIAGYGMSSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000130999877 599034019 /nfs/dbraw/zinc/03/40/19/599034019.db2.gz PVPNFHYPXDAHCL-KGLIPLIRSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000130999877 599034020 /nfs/dbraw/zinc/03/40/20/599034020.db2.gz PVPNFHYPXDAHCL-KGLIPLIRSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738191954 599035465 /nfs/dbraw/zinc/03/54/65/599035465.db2.gz ORHFILNMERDVFO-OLZOCXBDSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738191954 599035467 /nfs/dbraw/zinc/03/54/67/599035467.db2.gz ORHFILNMERDVFO-OLZOCXBDSA-N -1 3 389.337 3.508 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000737633431 599042195 /nfs/dbraw/zinc/04/21/95/599042195.db2.gz RDKPCPOGCREFFT-HTQZYQBOSA-N -1 3 380.296 3.814 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000737633431 599042198 /nfs/dbraw/zinc/04/21/98/599042198.db2.gz RDKPCPOGCREFFT-HTQZYQBOSA-N -1 3 380.296 3.814 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000821589501 599052954 /nfs/dbraw/zinc/05/29/54/599052954.db2.gz QKOXOZJZEZSJCB-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000821589501 599052956 /nfs/dbraw/zinc/05/29/56/599052956.db2.gz QKOXOZJZEZSJCB-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000737632890 599055730 /nfs/dbraw/zinc/05/57/30/599055730.db2.gz OJHRBINWVINFJI-CQSZACIVSA-N -1 3 388.397 3.740 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000737632890 599055733 /nfs/dbraw/zinc/05/57/33/599055733.db2.gz OJHRBINWVINFJI-CQSZACIVSA-N -1 3 388.397 3.740 20 0 GHADHM O=C([C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1)N1CCCCC1 ZINC000737780594 599064459 /nfs/dbraw/zinc/06/44/59/599064459.db2.gz DBFFLSBCZMKRGB-GOSISDBHSA-N -1 3 397.479 3.852 20 0 GHADHM O=C([C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1)N1CCCCC1 ZINC000737780594 599064462 /nfs/dbraw/zinc/06/44/62/599064462.db2.gz DBFFLSBCZMKRGB-GOSISDBHSA-N -1 3 397.479 3.852 20 0 GHADHM CCc1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000736678117 599066540 /nfs/dbraw/zinc/06/65/40/599066540.db2.gz SNEMACGLIPJXBE-UHFFFAOYSA-N -1 3 382.424 3.911 20 0 GHADHM CCc1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000736678117 599066545 /nfs/dbraw/zinc/06/65/45/599066545.db2.gz SNEMACGLIPJXBE-UHFFFAOYSA-N -1 3 382.424 3.911 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(NCc4cc(-c5nnn[n-]5)ccc4F)c23)C1 ZINC000820735339 599069815 /nfs/dbraw/zinc/06/98/15/599069815.db2.gz RJKATUWVXBRLTB-JTQLQIEISA-N -1 3 395.467 3.747 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(NCc4cc(-c5nn[n-]n5)ccc4F)c23)C1 ZINC000820735339 599069818 /nfs/dbraw/zinc/06/98/18/599069818.db2.gz RJKATUWVXBRLTB-JTQLQIEISA-N -1 3 395.467 3.747 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735904565 599070882 /nfs/dbraw/zinc/07/08/82/599070882.db2.gz QMDNERYXVYXXMP-DZGCQCFKSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000735904565 599070884 /nfs/dbraw/zinc/07/08/84/599070884.db2.gz QMDNERYXVYXXMP-DZGCQCFKSA-N -1 3 399.401 3.674 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000821347613 599071699 /nfs/dbraw/zinc/07/16/99/599071699.db2.gz YNBIDSMKIOQMRH-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000821347613 599071702 /nfs/dbraw/zinc/07/17/02/599071702.db2.gz YNBIDSMKIOQMRH-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@H](C)S1 ZINC000820766936 599074669 /nfs/dbraw/zinc/07/46/69/599074669.db2.gz FLTQJSAFHZXSGQ-IUCAKERBSA-N -1 3 378.864 3.538 20 0 GHADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@H](C)S1 ZINC000820766936 599074672 /nfs/dbraw/zinc/07/46/72/599074672.db2.gz FLTQJSAFHZXSGQ-IUCAKERBSA-N -1 3 378.864 3.538 20 0 GHADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736358430 599077555 /nfs/dbraw/zinc/07/75/55/599077555.db2.gz UJPZDQIRMYVBQM-JUWJPQTCSA-N -1 3 375.476 3.753 20 0 GHADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736358430 599077558 /nfs/dbraw/zinc/07/75/58/599077558.db2.gz UJPZDQIRMYVBQM-JUWJPQTCSA-N -1 3 375.476 3.753 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736683618 599084102 /nfs/dbraw/zinc/08/41/02/599084102.db2.gz FBSQHQPVSFIDMP-GOSISDBHSA-N -1 3 379.464 3.709 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736683618 599084103 /nfs/dbraw/zinc/08/41/03/599084103.db2.gz FBSQHQPVSFIDMP-GOSISDBHSA-N -1 3 379.464 3.709 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000819928488 599094336 /nfs/dbraw/zinc/09/43/36/599094336.db2.gz RCJJHBARXXRNPE-UHFFFAOYSA-N -1 3 386.843 3.543 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000819928488 599094339 /nfs/dbraw/zinc/09/43/39/599094339.db2.gz RCJJHBARXXRNPE-UHFFFAOYSA-N -1 3 386.843 3.543 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1ccccc1-c1nnn[n-]1 ZINC000735505628 599109435 /nfs/dbraw/zinc/10/94/35/599109435.db2.gz UEMPPRZFWCKOFJ-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1ccccc1-c1nn[n-]n1 ZINC000735505628 599109437 /nfs/dbraw/zinc/10/94/37/599109437.db2.gz UEMPPRZFWCKOFJ-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COc1ccccc1-c1nnn[n-]1 ZINC000737523890 599112156 /nfs/dbraw/zinc/11/21/56/599112156.db2.gz VBXWNTWZWIVVHD-UHFFFAOYSA-N -1 3 394.866 3.961 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COc1ccccc1-c1nn[n-]n1 ZINC000737523890 599112157 /nfs/dbraw/zinc/11/21/57/599112157.db2.gz VBXWNTWZWIVVHD-UHFFFAOYSA-N -1 3 394.866 3.961 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000737291493 599145935 /nfs/dbraw/zinc/14/59/35/599145935.db2.gz MZVPZTVASVRDSA-CQSZACIVSA-N -1 3 376.342 3.600 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000737291493 599145937 /nfs/dbraw/zinc/14/59/37/599145937.db2.gz MZVPZTVASVRDSA-CQSZACIVSA-N -1 3 376.342 3.600 20 0 GHADHM CCCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821128524 599155264 /nfs/dbraw/zinc/15/52/64/599155264.db2.gz WOYMAAKIGCGYAI-AWEZNQCLSA-N -1 3 381.436 3.721 20 0 GHADHM CCCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821128524 599155266 /nfs/dbraw/zinc/15/52/66/599155266.db2.gz WOYMAAKIGCGYAI-AWEZNQCLSA-N -1 3 381.436 3.721 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735874931 599159814 /nfs/dbraw/zinc/15/98/14/599159814.db2.gz NWGQMCHKGLEVLH-JKSUJKDBSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735874931 599159815 /nfs/dbraw/zinc/15/98/15/599159815.db2.gz NWGQMCHKGLEVLH-JKSUJKDBSA-N -1 3 397.429 3.686 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000823235383 599165514 /nfs/dbraw/zinc/16/55/14/599165514.db2.gz SPQBRRCNCHNPGC-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000823235383 599165516 /nfs/dbraw/zinc/16/55/16/599165516.db2.gz SPQBRRCNCHNPGC-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM CCC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736430522 599166743 /nfs/dbraw/zinc/16/67/43/599166743.db2.gz QWWIIUROKWHDMI-MRXNPFEDSA-N -1 3 385.468 3.756 20 0 GHADHM CCC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736430522 599166746 /nfs/dbraw/zinc/16/67/46/599166746.db2.gz QWWIIUROKWHDMI-MRXNPFEDSA-N -1 3 385.468 3.756 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822978451 599167183 /nfs/dbraw/zinc/16/71/83/599167183.db2.gz LGTWFILPERSNSR-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822978451 599167185 /nfs/dbraw/zinc/16/71/85/599167185.db2.gz LGTWFILPERSNSR-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819957983 599172565 /nfs/dbraw/zinc/17/25/65/599172565.db2.gz FSTOWPXQZZPVLD-UHFFFAOYSA-N -1 3 395.482 3.942 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819957983 599172568 /nfs/dbraw/zinc/17/25/68/599172568.db2.gz FSTOWPXQZZPVLD-UHFFFAOYSA-N -1 3 395.482 3.942 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737343327 599173515 /nfs/dbraw/zinc/17/35/15/599173515.db2.gz NNCAPBBNKWJPFW-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737343327 599173520 /nfs/dbraw/zinc/17/35/20/599173520.db2.gz NNCAPBBNKWJPFW-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)NC1CC(c2cccc(Cl)c2)C1 ZINC000738409043 599174682 /nfs/dbraw/zinc/17/46/82/599174682.db2.gz OXKKEROCQSQNIL-UHFFFAOYSA-N -1 3 384.896 3.753 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)NC1CC(c2cccc(Cl)c2)C1 ZINC000738409043 599174685 /nfs/dbraw/zinc/17/46/85/599174685.db2.gz OXKKEROCQSQNIL-UHFFFAOYSA-N -1 3 384.896 3.753 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112204 599181231 /nfs/dbraw/zinc/18/12/31/599181231.db2.gz MTPLVEMFEQGVSI-HZPDHXFCSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112204 599181234 /nfs/dbraw/zinc/18/12/34/599181234.db2.gz MTPLVEMFEQGVSI-HZPDHXFCSA-N -1 3 388.258 3.593 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821948555 599186050 /nfs/dbraw/zinc/18/60/50/599186050.db2.gz CONLISPEWMBUOI-KGLIPLIRSA-N -1 3 379.489 3.548 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000821948555 599186052 /nfs/dbraw/zinc/18/60/52/599186052.db2.gz CONLISPEWMBUOI-KGLIPLIRSA-N -1 3 379.489 3.548 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000738101316 599189250 /nfs/dbraw/zinc/18/92/50/599189250.db2.gz XZDGTFSETHQFIM-UHFFFAOYSA-N -1 3 392.463 3.900 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000738101316 599189253 /nfs/dbraw/zinc/18/92/53/599189253.db2.gz XZDGTFSETHQFIM-UHFFFAOYSA-N -1 3 392.463 3.900 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736633412 599187736 /nfs/dbraw/zinc/18/77/36/599187736.db2.gz AIXFBXLSHCMBKV-HNNXBMFYSA-N -1 3 386.500 3.946 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000736633412 599187739 /nfs/dbraw/zinc/18/77/39/599187739.db2.gz AIXFBXLSHCMBKV-HNNXBMFYSA-N -1 3 386.500 3.946 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000820518382 599192643 /nfs/dbraw/zinc/19/26/43/599192643.db2.gz CMBBEMFUJPDICH-INIZCTEOSA-N -1 3 399.454 3.964 20 0 GHADHM CC(C)Cn1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cn1 ZINC000820108161 599198562 /nfs/dbraw/zinc/19/85/62/599198562.db2.gz GMTQCAJWTNPAAO-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)Cn1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cn1 ZINC000820108161 599198564 /nfs/dbraw/zinc/19/85/64/599198564.db2.gz GMTQCAJWTNPAAO-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299812 599202706 /nfs/dbraw/zinc/20/27/06/599202706.db2.gz VPWKWIBMDPHPKJ-HXUWFJFHSA-N -1 3 391.475 3.616 20 0 GHADHM COCCN(C(=O)c1cc2ccc(F)cc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988450 599203927 /nfs/dbraw/zinc/20/39/27/599203927.db2.gz NLMCIPIZTPJRAZ-UHFFFAOYSA-N -1 3 397.435 3.514 20 0 GHADHM COCCN(C(=O)c1cc2ccc(F)cc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988450 599203928 /nfs/dbraw/zinc/20/39/28/599203928.db2.gz NLMCIPIZTPJRAZ-UHFFFAOYSA-N -1 3 397.435 3.514 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)cc2)cs1 ZINC000822418982 607263138 /nfs/dbraw/zinc/26/31/38/607263138.db2.gz KZSIUZSDEAKRKD-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)cc2)cs1 ZINC000822418982 607263139 /nfs/dbraw/zinc/26/31/39/607263139.db2.gz KZSIUZSDEAKRKD-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823731965 599229199 /nfs/dbraw/zinc/22/91/99/599229199.db2.gz HQSSSEUCIUUYJB-CQSZACIVSA-N -1 3 396.545 3.678 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000823731965 599229202 /nfs/dbraw/zinc/22/92/02/599229202.db2.gz HQSSSEUCIUUYJB-CQSZACIVSA-N -1 3 396.545 3.678 20 0 GHADHM CS[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000737181478 599234456 /nfs/dbraw/zinc/23/44/56/599234456.db2.gz VYMSLYPLNROEQZ-MNOVXSKESA-N -1 3 376.436 3.779 20 0 GHADHM CS[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000737181478 599234458 /nfs/dbraw/zinc/23/44/58/599234458.db2.gz VYMSLYPLNROEQZ-MNOVXSKESA-N -1 3 376.436 3.779 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380626 599235167 /nfs/dbraw/zinc/23/51/67/599235167.db2.gz XRIFQGUWNGMARY-JTQLQIEISA-N -1 3 387.241 3.512 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380626 599235168 /nfs/dbraw/zinc/23/51/68/599235168.db2.gz XRIFQGUWNGMARY-JTQLQIEISA-N -1 3 387.241 3.512 20 0 GHADHM c1sc(N[C@H]2CCOc3ccccc32)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823802425 599237946 /nfs/dbraw/zinc/23/79/46/599237946.db2.gz NKGJTDFRGQQJIJ-HNNXBMFYSA-N -1 3 376.445 3.926 20 0 GHADHM c1sc(N[C@H]2CCOc3ccccc32)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823802425 599237948 /nfs/dbraw/zinc/23/79/48/599237948.db2.gz NKGJTDFRGQQJIJ-HNNXBMFYSA-N -1 3 376.445 3.926 20 0 GHADHM O=C(C[C@H]1CCOc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737817633 599247137 /nfs/dbraw/zinc/24/71/37/599247137.db2.gz CTVUVPXVNWWWBQ-GFCCVEGCSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(C[C@H]1CCOc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737817633 599247139 /nfs/dbraw/zinc/24/71/39/599247139.db2.gz CTVUVPXVNWWWBQ-GFCCVEGCSA-N -1 3 395.488 3.702 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817594 599248176 /nfs/dbraw/zinc/24/81/76/599248176.db2.gz CMBMXMDYAHDBEY-QGZVFWFLSA-N -1 3 391.475 3.812 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817594 599248180 /nfs/dbraw/zinc/24/81/80/599248180.db2.gz CMBMXMDYAHDBEY-QGZVFWFLSA-N -1 3 391.475 3.812 20 0 GHADHM Cc1c(NC(=O)N[C@H](c2nccs2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822089541 607283022 /nfs/dbraw/zinc/28/30/22/607283022.db2.gz DZQJHRRYYKCPCP-INIZCTEOSA-N -1 3 391.460 3.543 20 0 GHADHM Cc1c(NC(=O)N[C@H](c2nccs2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822089541 607283023 /nfs/dbraw/zinc/28/30/23/607283023.db2.gz DZQJHRRYYKCPCP-INIZCTEOSA-N -1 3 391.460 3.543 20 0 GHADHM Cc1csc([C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)n1 ZINC000822408965 599250344 /nfs/dbraw/zinc/25/03/44/599250344.db2.gz KKZDPISEEIKIKY-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1csc([C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)n1 ZINC000822408965 599250345 /nfs/dbraw/zinc/25/03/45/599250345.db2.gz KKZDPISEEIKIKY-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1c(NC(=O)NCC2CCC(C(F)(F)F)CC2)cccc1-c1nnn[n-]1 ZINC000822096404 607282603 /nfs/dbraw/zinc/28/26/03/607282603.db2.gz MIUANMXKBCCUEE-UHFFFAOYSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1c(NC(=O)NCC2CCC(C(F)(F)F)CC2)cccc1-c1nn[n-]n1 ZINC000822096404 607282604 /nfs/dbraw/zinc/28/26/04/607282604.db2.gz MIUANMXKBCCUEE-UHFFFAOYSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C(F)(F)F)C1 ZINC000737262470 599255124 /nfs/dbraw/zinc/25/51/24/599255124.db2.gz GZHCVIPMUNOWCS-SNVBAGLBSA-N -1 3 380.349 3.641 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C(F)(F)F)C1 ZINC000737262470 599255126 /nfs/dbraw/zinc/25/51/26/599255126.db2.gz GZHCVIPMUNOWCS-SNVBAGLBSA-N -1 3 380.349 3.641 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cccc1-c1nnn[n-]1 ZINC000822084561 607284978 /nfs/dbraw/zinc/28/49/78/607284978.db2.gz NBCCIJSSUSYUII-AWEZNQCLSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cccc1-c1nn[n-]n1 ZINC000822084561 607284979 /nfs/dbraw/zinc/28/49/79/607284979.db2.gz NBCCIJSSUSYUII-AWEZNQCLSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(F)cc2OCC2CC2)cccc1-c1nnn[n-]1 ZINC000822103529 607290174 /nfs/dbraw/zinc/29/01/74/607290174.db2.gz HPBXOUVGHXSPIF-UHFFFAOYSA-N -1 3 382.399 3.747 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(F)cc2OCC2CC2)cccc1-c1nn[n-]n1 ZINC000822103529 607290175 /nfs/dbraw/zinc/29/01/75/607290175.db2.gz HPBXOUVGHXSPIF-UHFFFAOYSA-N -1 3 382.399 3.747 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822061684 607294801 /nfs/dbraw/zinc/29/48/01/607294801.db2.gz UVRJKYFDUUXJMY-NSHDSACASA-N -1 3 375.354 3.936 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822061684 607294802 /nfs/dbraw/zinc/29/48/02/607294802.db2.gz UVRJKYFDUUXJMY-NSHDSACASA-N -1 3 375.354 3.936 20 0 GHADHM Cc1c(NC(=O)C2(c3ccc(Br)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822061777 607294867 /nfs/dbraw/zinc/29/48/67/607294867.db2.gz XRBMBVYGFXKXOF-UHFFFAOYSA-N -1 3 398.264 3.608 20 0 GHADHM Cc1c(NC(=O)C2(c3ccc(Br)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822061777 607294868 /nfs/dbraw/zinc/29/48/68/607294868.db2.gz XRBMBVYGFXKXOF-UHFFFAOYSA-N -1 3 398.264 3.608 20 0 GHADHM CN(Cc1ccccc1NCc1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000821615814 607313013 /nfs/dbraw/zinc/31/30/13/607313013.db2.gz OPDCWJGEGPXZMI-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(Cc1ccccc1NCc1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000821615814 607313014 /nfs/dbraw/zinc/31/30/14/607313014.db2.gz OPDCWJGEGPXZMI-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820876063 599264866 /nfs/dbraw/zinc/26/48/66/599264866.db2.gz KZVAZNBMYFEEQI-UONOGXRCSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820876063 599264868 /nfs/dbraw/zinc/26/48/68/599264868.db2.gz KZVAZNBMYFEEQI-UONOGXRCSA-N -1 3 380.452 3.927 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N[C@@H]1CCSC1 ZINC000822211646 599265834 /nfs/dbraw/zinc/26/58/34/599265834.db2.gz IUPPTZLIMHVHCP-CQSZACIVSA-N -1 3 396.476 3.594 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N[C@@H]1CCSC1 ZINC000822211646 599265836 /nfs/dbraw/zinc/26/58/36/599265836.db2.gz IUPPTZLIMHVHCP-CQSZACIVSA-N -1 3 396.476 3.594 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2cccc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000822193924 599268227 /nfs/dbraw/zinc/26/82/27/599268227.db2.gz AHOAUHQTJVXOOW-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2cccc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000822193924 599268228 /nfs/dbraw/zinc/26/82/28/599268228.db2.gz AHOAUHQTJVXOOW-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000822217609 599272803 /nfs/dbraw/zinc/27/28/03/599272803.db2.gz JHAJQLUUDQXSGS-HNNXBMFYSA-N -1 3 394.504 3.821 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000822217609 599272805 /nfs/dbraw/zinc/27/28/05/599272805.db2.gz JHAJQLUUDQXSGS-HNNXBMFYSA-N -1 3 394.504 3.821 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736819641 599275693 /nfs/dbraw/zinc/27/56/93/599275693.db2.gz GIZDRYNPEVIDSO-UHFFFAOYSA-N -1 3 382.512 3.757 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736819641 599275694 /nfs/dbraw/zinc/27/56/94/599275694.db2.gz GIZDRYNPEVIDSO-UHFFFAOYSA-N -1 3 382.512 3.757 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(SC)ccc1C ZINC000736487153 599276633 /nfs/dbraw/zinc/27/66/33/599276633.db2.gz DFMMWXNPZIQLDG-UHFFFAOYSA-N -1 3 382.493 3.971 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000736487423 599278967 /nfs/dbraw/zinc/27/89/67/599278967.db2.gz DWNNFIGNQJYXFR-UHFFFAOYSA-N -1 3 389.463 3.660 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000736488415 599279075 /nfs/dbraw/zinc/27/90/75/599279075.db2.gz OUEVSFYYAUSOFE-UHFFFAOYSA-N -1 3 379.399 3.561 20 0 GHADHM Cc1cc(C)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000822194029 607320511 /nfs/dbraw/zinc/32/05/11/607320511.db2.gz GBPWMCXRRHGIBO-BQYQJAHWSA-N -1 3 398.264 3.898 20 0 GHADHM Cc1cc(C)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000822194029 607320512 /nfs/dbraw/zinc/32/05/12/607320512.db2.gz GBPWMCXRRHGIBO-BQYQJAHWSA-N -1 3 398.264 3.898 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)o2)cc1 ZINC000819834596 607320767 /nfs/dbraw/zinc/32/07/67/607320767.db2.gz ORRIYSPKUGFLKQ-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)o2)cc1 ZINC000819834596 607320768 /nfs/dbraw/zinc/32/07/68/607320768.db2.gz ORRIYSPKUGFLKQ-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820571436 599285545 /nfs/dbraw/zinc/28/55/45/599285545.db2.gz YLBRRBRSOATSGF-SECBINFHSA-N -1 3 380.330 3.703 20 0 GHADHM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820571436 599285547 /nfs/dbraw/zinc/28/55/47/599285547.db2.gz YLBRRBRSOATSGF-SECBINFHSA-N -1 3 380.330 3.703 20 0 GHADHM COc1ccccc1-c1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737141356 599288158 /nfs/dbraw/zinc/28/81/58/599288158.db2.gz BMPQDEABRBXWGG-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccccc1-c1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737141356 599288161 /nfs/dbraw/zinc/28/81/61/599288161.db2.gz BMPQDEABRBXWGG-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-n2ccnc2S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737064509 599288656 /nfs/dbraw/zinc/28/86/56/599288656.db2.gz DLDJVWJQZGJVEK-CYBMUJFWSA-N -1 3 378.461 3.914 20 0 GHADHM COc1ccc(-n2ccnc2S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737064509 599288658 /nfs/dbraw/zinc/28/86/58/599288658.db2.gz DLDJVWJQZGJVEK-CYBMUJFWSA-N -1 3 378.461 3.914 20 0 GHADHM COc1ccccc1-c1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737141357 599288724 /nfs/dbraw/zinc/28/87/24/599288724.db2.gz BMPQDEABRBXWGG-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccccc1-c1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737141357 599288726 /nfs/dbraw/zinc/28/87/26/599288726.db2.gz BMPQDEABRBXWGG-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000822477199 607328845 /nfs/dbraw/zinc/32/88/45/607328845.db2.gz JDTHSTJBILZAAE-VIFPVBQESA-N -1 3 386.872 3.644 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000822477199 607328846 /nfs/dbraw/zinc/32/88/46/607328846.db2.gz JDTHSTJBILZAAE-VIFPVBQESA-N -1 3 386.872 3.644 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000737933271 598232775 /nfs/dbraw/zinc/23/27/75/598232775.db2.gz WDIKYPDOPUUAOG-FQEVSTJZSA-N -1 3 393.516 3.758 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000737933271 598232776 /nfs/dbraw/zinc/23/27/76/598232776.db2.gz WDIKYPDOPUUAOG-FQEVSTJZSA-N -1 3 393.516 3.758 20 0 GHADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925832 598235451 /nfs/dbraw/zinc/23/54/51/598235451.db2.gz ZEEUTJDEBASSIG-IBGZPJMESA-N -1 3 397.866 3.557 20 0 GHADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925832 598235452 /nfs/dbraw/zinc/23/54/52/598235452.db2.gz ZEEUTJDEBASSIG-IBGZPJMESA-N -1 3 397.866 3.557 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737964810 598235509 /nfs/dbraw/zinc/23/55/09/598235509.db2.gz YXCRKICGAUAQMU-IBGZPJMESA-N -1 3 381.867 3.720 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737964810 598235510 /nfs/dbraw/zinc/23/55/10/598235510.db2.gz YXCRKICGAUAQMU-IBGZPJMESA-N -1 3 381.867 3.720 20 0 GHADHM CCn1cc(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000736723408 598254254 /nfs/dbraw/zinc/25/42/54/598254254.db2.gz UJWHODFKJGNWGC-UHFFFAOYSA-N -1 3 390.407 3.519 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736635843 598263685 /nfs/dbraw/zinc/26/36/85/598263685.db2.gz HRPDVXRTFSUFEB-LJQANCHMSA-N -1 3 392.463 3.928 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736635843 598263687 /nfs/dbraw/zinc/26/36/87/598263687.db2.gz HRPDVXRTFSUFEB-LJQANCHMSA-N -1 3 392.463 3.928 20 0 GHADHM CC(C)OCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735896653 598266578 /nfs/dbraw/zinc/26/65/78/598266578.db2.gz TVUKPNOXRSQJHS-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC(C)OCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735896653 598266579 /nfs/dbraw/zinc/26/65/79/598266579.db2.gz TVUKPNOXRSQJHS-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM FC(F)(F)c1cc(NCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737633440 598275758 /nfs/dbraw/zinc/27/57/58/598275758.db2.gz RLHGIMSAZHPGDX-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(NCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737633440 598275760 /nfs/dbraw/zinc/27/57/60/598275760.db2.gz RLHGIMSAZHPGDX-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731387 598308284 /nfs/dbraw/zinc/30/82/84/598308284.db2.gz BRBXKJYEBXLNQG-UHFFFAOYSA-N -1 3 390.422 3.597 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731387 598308285 /nfs/dbraw/zinc/30/82/85/598308285.db2.gz BRBXKJYEBXLNQG-UHFFFAOYSA-N -1 3 390.422 3.597 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)[nH]c2c1 ZINC000735652609 598308565 /nfs/dbraw/zinc/30/85/65/598308565.db2.gz NSWCWWCMLOGUMU-UHFFFAOYSA-N -1 3 392.438 3.715 20 0 GHADHM CC(C)(C)c1ccc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)[nH]c2c1 ZINC000735652609 598308566 /nfs/dbraw/zinc/30/85/66/598308566.db2.gz NSWCWWCMLOGUMU-UHFFFAOYSA-N -1 3 392.438 3.715 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cn3ccsc3n2)n1 ZINC000737245852 598316110 /nfs/dbraw/zinc/31/61/10/598316110.db2.gz QXASZICXONRCDG-UHFFFAOYSA-N -1 3 397.411 3.590 20 0 GHADHM S=C(NCc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402162 598317913 /nfs/dbraw/zinc/31/79/13/598317913.db2.gz YGRIIEOIUNKZKI-UHFFFAOYSA-N -1 3 379.276 3.660 20 0 GHADHM S=C(NCc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402162 598317915 /nfs/dbraw/zinc/31/79/15/598317915.db2.gz YGRIIEOIUNKZKI-UHFFFAOYSA-N -1 3 379.276 3.660 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2ccccc2)CCC1 ZINC000738409091 598319519 /nfs/dbraw/zinc/31/95/19/598319519.db2.gz PXEUQJXMVLQIGQ-UHFFFAOYSA-N -1 3 384.896 3.886 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2ccccc2)CCC1 ZINC000738409091 598319520 /nfs/dbraw/zinc/31/95/20/598319520.db2.gz PXEUQJXMVLQIGQ-UHFFFAOYSA-N -1 3 384.896 3.886 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000738098791 598319829 /nfs/dbraw/zinc/31/98/29/598319829.db2.gz CZSGTGDVVWPYPB-HKUYNNGSSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000738098791 598319831 /nfs/dbraw/zinc/31/98/31/598319831.db2.gz CZSGTGDVVWPYPB-HKUYNNGSSA-N -1 3 394.454 3.531 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736204792 598320228 /nfs/dbraw/zinc/32/02/28/598320228.db2.gz VDAKRXSRXMZWMI-VIFPVBQESA-N -1 3 378.914 3.971 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736204792 598320230 /nfs/dbraw/zinc/32/02/30/598320230.db2.gz VDAKRXSRXMZWMI-VIFPVBQESA-N -1 3 378.914 3.971 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737361174 598324649 /nfs/dbraw/zinc/32/46/49/598324649.db2.gz VVEFKGHVKHGELX-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737361174 598324651 /nfs/dbraw/zinc/32/46/51/598324651.db2.gz VVEFKGHVKHGELX-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM S=C(NCCc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400978 598325343 /nfs/dbraw/zinc/32/53/43/598325343.db2.gz MQTPCRKKVFRMFQ-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM S=C(NCCc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400978 598325346 /nfs/dbraw/zinc/32/53/46/598325346.db2.gz MQTPCRKKVFRMFQ-UHFFFAOYSA-N -1 3 393.303 3.703 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000736116498 598325452 /nfs/dbraw/zinc/32/54/52/598325452.db2.gz FDMHAORJHKVGKJ-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000736116498 598325454 /nfs/dbraw/zinc/32/54/54/598325454.db2.gz FDMHAORJHKVGKJ-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCCCC2)CC1 ZINC000737932807 598329100 /nfs/dbraw/zinc/32/91/00/598329100.db2.gz QHMNTWYJSNZUHG-UHFFFAOYSA-N -1 3 385.537 3.673 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCCCC2)CC1 ZINC000737932807 598329103 /nfs/dbraw/zinc/32/91/03/598329103.db2.gz QHMNTWYJSNZUHG-UHFFFAOYSA-N -1 3 385.537 3.673 20 0 GHADHM CC(C)Oc1ccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735914828 598355902 /nfs/dbraw/zinc/35/59/02/598355902.db2.gz KLOQAWIYITYJOH-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CC(C)Oc1ccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735914828 598355903 /nfs/dbraw/zinc/35/59/03/598355903.db2.gz KLOQAWIYITYJOH-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736389668 598358716 /nfs/dbraw/zinc/35/87/16/598358716.db2.gz CMYVLUSJKNYPCK-GOSISDBHSA-N -1 3 397.454 3.950 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736389668 598358718 /nfs/dbraw/zinc/35/87/18/598358718.db2.gz CMYVLUSJKNYPCK-GOSISDBHSA-N -1 3 397.454 3.950 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H](C)c1ccccc1F ZINC000737025924 598365544 /nfs/dbraw/zinc/36/55/44/598365544.db2.gz PHVYAJZHPFJXOA-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H](C)c1ccccc1F ZINC000737025924 598365545 /nfs/dbraw/zinc/36/55/45/598365545.db2.gz PHVYAJZHPFJXOA-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737146655 598369929 /nfs/dbraw/zinc/36/99/29/598369929.db2.gz ISDZIXDRBQRTDW-QGZVFWFLSA-N -1 3 378.436 3.634 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737146655 598369931 /nfs/dbraw/zinc/36/99/31/598369931.db2.gz ISDZIXDRBQRTDW-QGZVFWFLSA-N -1 3 378.436 3.634 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735648481 598374875 /nfs/dbraw/zinc/37/48/75/598374875.db2.gz GPJOGEJPIBMBIK-LJQANCHMSA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735648481 598374877 /nfs/dbraw/zinc/37/48/77/598374877.db2.gz GPJOGEJPIBMBIK-LJQANCHMSA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735648479 598375360 /nfs/dbraw/zinc/37/53/60/598375360.db2.gz GPJOGEJPIBMBIK-IBGZPJMESA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735648479 598375362 /nfs/dbraw/zinc/37/53/62/598375362.db2.gz GPJOGEJPIBMBIK-IBGZPJMESA-N -1 3 394.475 3.721 20 0 GHADHM Cc1c(Br)cccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737202059 598380390 /nfs/dbraw/zinc/38/03/90/598380390.db2.gz ISJURWWYBWJZOH-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1c(Br)cccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737202059 598380393 /nfs/dbraw/zinc/38/03/93/598380393.db2.gz ISJURWWYBWJZOH-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Br)c1 ZINC000736137780 598387708 /nfs/dbraw/zinc/38/77/08/598387708.db2.gz NULRUCCXUWEJNU-QMMMGPOBSA-N -1 3 379.649 3.851 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Br)c1 ZINC000736137780 598387710 /nfs/dbraw/zinc/38/77/10/598387710.db2.gz NULRUCCXUWEJNU-QMMMGPOBSA-N -1 3 379.649 3.851 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccnc(OC2CCCCC2)c1 ZINC000737557662 598393711 /nfs/dbraw/zinc/39/37/11/598393711.db2.gz GWKQQHMEXOFWTQ-UHFFFAOYSA-N -1 3 385.859 3.634 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccnc(OC2CCCCC2)c1 ZINC000737557662 598393712 /nfs/dbraw/zinc/39/37/12/598393712.db2.gz GWKQQHMEXOFWTQ-UHFFFAOYSA-N -1 3 385.859 3.634 20 0 GHADHM Fc1cccc(Oc2ccc(CNc3ncc(-c4nnn[n-]4)cc3Cl)cn2)c1 ZINC000737663218 598394422 /nfs/dbraw/zinc/39/44/22/598394422.db2.gz HWYCNNQJOMUJKF-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM Fc1cccc(Oc2ccc(CNc3ncc(-c4nn[n-]n4)cc3Cl)cn2)c1 ZINC000737663218 598394425 /nfs/dbraw/zinc/39/44/25/598394425.db2.gz HWYCNNQJOMUJKF-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736106893 598421766 /nfs/dbraw/zinc/42/17/66/598421766.db2.gz WZBDDQYXYGCMEP-ZDUSSCGKSA-N -1 3 377.473 3.891 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736106893 598421767 /nfs/dbraw/zinc/42/17/67/598421767.db2.gz WZBDDQYXYGCMEP-ZDUSSCGKSA-N -1 3 377.473 3.891 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736453482 598424516 /nfs/dbraw/zinc/42/45/16/598424516.db2.gz MYRDYUJTINIOKS-UHFFFAOYSA-N -1 3 396.520 3.834 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736453482 598424518 /nfs/dbraw/zinc/42/45/18/598424518.db2.gz MYRDYUJTINIOKS-UHFFFAOYSA-N -1 3 396.520 3.834 20 0 GHADHM Cc1cc(C)c(C)c(OCCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737245510 598433647 /nfs/dbraw/zinc/43/36/47/598433647.db2.gz DUAOPDZORKZZBA-MRXNPFEDSA-N -1 3 380.448 3.865 20 0 GHADHM Cc1cc(C)c(C)c(OCCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737245510 598433648 /nfs/dbraw/zinc/43/36/48/598433648.db2.gz DUAOPDZORKZZBA-MRXNPFEDSA-N -1 3 380.448 3.865 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000737072510 598436984 /nfs/dbraw/zinc/43/69/84/598436984.db2.gz LBAXJMMOUDDZNQ-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000737072510 598436986 /nfs/dbraw/zinc/43/69/86/598436986.db2.gz LBAXJMMOUDDZNQ-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000737241050 598439810 /nfs/dbraw/zinc/43/98/10/598439810.db2.gz OUQINTHLSPSVNQ-UHFFFAOYSA-N -1 3 396.520 3.557 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000737241050 598439812 /nfs/dbraw/zinc/43/98/12/598439812.db2.gz OUQINTHLSPSVNQ-UHFFFAOYSA-N -1 3 396.520 3.557 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735734893 598442181 /nfs/dbraw/zinc/44/21/81/598442181.db2.gz KJVNPRCSWGSPGO-IBGZPJMESA-N -1 3 395.532 3.783 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735734893 598442183 /nfs/dbraw/zinc/44/21/83/598442183.db2.gz KJVNPRCSWGSPGO-IBGZPJMESA-N -1 3 395.532 3.783 20 0 GHADHM CCOc1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1C ZINC000736624744 598446861 /nfs/dbraw/zinc/44/68/61/598446861.db2.gz GSRMFCWLKGSGRK-LJQANCHMSA-N -1 3 395.463 3.616 20 0 GHADHM CCOc1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1C ZINC000736624744 598446862 /nfs/dbraw/zinc/44/68/62/598446862.db2.gz GSRMFCWLKGSGRK-LJQANCHMSA-N -1 3 395.463 3.616 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(SC(F)F)c1 ZINC000737853890 598450866 /nfs/dbraw/zinc/45/08/66/598450866.db2.gz OSNVQEJMKBJCAS-UHFFFAOYSA-N -1 3 375.404 3.753 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(SC(F)F)c1 ZINC000737853890 598450868 /nfs/dbraw/zinc/45/08/68/598450868.db2.gz OSNVQEJMKBJCAS-UHFFFAOYSA-N -1 3 375.404 3.753 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1C)C1CC1 ZINC000736637481 598476546 /nfs/dbraw/zinc/47/65/46/598476546.db2.gz QCZSKYRZMQWIQL-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1C)C1CC1 ZINC000736637481 598476547 /nfs/dbraw/zinc/47/65/47/598476547.db2.gz QCZSKYRZMQWIQL-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736165406 598484568 /nfs/dbraw/zinc/48/45/68/598484568.db2.gz UVJXBSJWCSZQMH-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736165406 598484569 /nfs/dbraw/zinc/48/45/69/598484569.db2.gz UVJXBSJWCSZQMH-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114601 598485469 /nfs/dbraw/zinc/48/54/69/598485469.db2.gz HTYGQRGCPACSQP-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114601 598485471 /nfs/dbraw/zinc/48/54/71/598485471.db2.gz HTYGQRGCPACSQP-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000735662863 598488228 /nfs/dbraw/zinc/48/82/28/598488228.db2.gz ZPEMRTSRVGTSFM-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000735662863 598488230 /nfs/dbraw/zinc/48/82/30/598488230.db2.gz ZPEMRTSRVGTSFM-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000737196387 598494974 /nfs/dbraw/zinc/49/49/74/598494974.db2.gz GOVQJDHVVPZTCY-CZIWCDLHSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000737196387 598494975 /nfs/dbraw/zinc/49/49/75/598494975.db2.gz GOVQJDHVVPZTCY-CZIWCDLHSA-N -1 3 377.448 3.968 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc3ccccc3nc2C)c1-c1nnn[n-]1 ZINC000736676271 598517289 /nfs/dbraw/zinc/51/72/89/598517289.db2.gz QFDJUTRPWQZDAV-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc3ccccc3nc2C)c1-c1nn[n-]n1 ZINC000736676271 598517290 /nfs/dbraw/zinc/51/72/90/598517290.db2.gz QFDJUTRPWQZDAV-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)cc2Cl)c1-c1nnn[n-]1 ZINC000736675264 598517410 /nfs/dbraw/zinc/51/74/10/598517410.db2.gz IYIMGLNONSNGMZ-UHFFFAOYSA-N -1 3 383.811 3.983 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)cc2Cl)c1-c1nn[n-]n1 ZINC000736675264 598517412 /nfs/dbraw/zinc/51/74/12/598517412.db2.gz IYIMGLNONSNGMZ-UHFFFAOYSA-N -1 3 383.811 3.983 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000736676359 598519335 /nfs/dbraw/zinc/51/93/35/598519335.db2.gz SMHNDTARQBTYLD-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000736676359 598519337 /nfs/dbraw/zinc/51/93/37/598519337.db2.gz SMHNDTARQBTYLD-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(c1ccccc1)C1CCCC1 ZINC000736182634 598534316 /nfs/dbraw/zinc/53/43/16/598534316.db2.gz OCAQVXPYJGHEIQ-OAHLLOKOSA-N -1 3 377.448 3.610 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(c1ccccc1)C1CCCC1 ZINC000736182634 598534318 /nfs/dbraw/zinc/53/43/18/598534318.db2.gz OCAQVXPYJGHEIQ-OAHLLOKOSA-N -1 3 377.448 3.610 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)s1 ZINC000735496078 598535479 /nfs/dbraw/zinc/53/54/79/598535479.db2.gz UYQDBRWJJOEFJE-UHFFFAOYSA-N -1 3 387.490 3.714 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)s1 ZINC000735496078 598535481 /nfs/dbraw/zinc/53/54/81/598535481.db2.gz UYQDBRWJJOEFJE-UHFFFAOYSA-N -1 3 387.490 3.714 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737359988 598537777 /nfs/dbraw/zinc/53/77/77/598537777.db2.gz JMTWYQILGOFAOG-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM O=C(Oc1ccccc1Cl)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738247999 598538729 /nfs/dbraw/zinc/53/87/29/598538729.db2.gz UVOQNXUUEURCHW-UHFFFAOYSA-N -1 3 396.790 3.911 20 0 GHADHM CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCCC1 ZINC000736741133 598539544 /nfs/dbraw/zinc/53/95/44/598539544.db2.gz AUEZOWILMMSWLE-UHFFFAOYSA-N -1 3 395.463 3.834 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737280867 598542439 /nfs/dbraw/zinc/54/24/39/598542439.db2.gz UPMRABKJWDXVAB-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737280867 598542440 /nfs/dbraw/zinc/54/24/40/598542440.db2.gz UPMRABKJWDXVAB-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1F ZINC000735975314 598543289 /nfs/dbraw/zinc/54/32/89/598543289.db2.gz KYBAZJLEHNYYMH-SNVBAGLBSA-N -1 3 391.353 3.740 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1F ZINC000735975314 598543291 /nfs/dbraw/zinc/54/32/91/598543291.db2.gz KYBAZJLEHNYYMH-SNVBAGLBSA-N -1 3 391.353 3.740 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc(F)cc1 ZINC000738171175 598544783 /nfs/dbraw/zinc/54/47/83/598544783.db2.gz DXYGXABLDGNXII-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc(F)cc1 ZINC000738171175 598544784 /nfs/dbraw/zinc/54/47/84/598544784.db2.gz DXYGXABLDGNXII-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1C(F)(F)F ZINC000738144765 598547361 /nfs/dbraw/zinc/54/73/61/598547361.db2.gz FPSHUPLNDNBWBY-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1C(F)(F)F ZINC000738144765 598547363 /nfs/dbraw/zinc/54/73/63/598547363.db2.gz FPSHUPLNDNBWBY-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc2c(c1)CCCC2 ZINC000738146871 598547434 /nfs/dbraw/zinc/54/74/34/598547434.db2.gz RWVUJNZFIQKKRH-UHFFFAOYSA-N -1 3 385.374 3.599 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc2c(c1)CCCC2 ZINC000738146871 598547436 /nfs/dbraw/zinc/54/74/36/598547436.db2.gz RWVUJNZFIQKKRH-UHFFFAOYSA-N -1 3 385.374 3.599 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1ccccc1F ZINC000736278935 598551661 /nfs/dbraw/zinc/55/16/61/598551661.db2.gz IDWPJBHBHOTRFS-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1ccccc1F ZINC000736278935 598551662 /nfs/dbraw/zinc/55/16/62/598551662.db2.gz IDWPJBHBHOTRFS-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM O=C(CCc1ccccn1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737859912 598553841 /nfs/dbraw/zinc/55/38/41/598553841.db2.gz DCAGVZYNKRLTHJ-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccccn1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737859912 598553843 /nfs/dbraw/zinc/55/38/43/598553843.db2.gz DCAGVZYNKRLTHJ-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N1CCCCC1 ZINC000737279771 598554469 /nfs/dbraw/zinc/55/44/69/598554469.db2.gz MLIKXVAXPXFNAH-UHFFFAOYSA-N -1 3 392.463 3.772 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N1CCCCC1 ZINC000737279771 598554471 /nfs/dbraw/zinc/55/44/71/598554471.db2.gz MLIKXVAXPXFNAH-UHFFFAOYSA-N -1 3 392.463 3.772 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736274844 598560579 /nfs/dbraw/zinc/56/05/79/598560579.db2.gz VJGUWHPLKNSKJL-GXFFZTMASA-N -1 3 380.399 3.511 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736274844 598560580 /nfs/dbraw/zinc/56/05/80/598560580.db2.gz VJGUWHPLKNSKJL-GXFFZTMASA-N -1 3 380.399 3.511 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1C2CCC1CC2 ZINC000738173975 598566542 /nfs/dbraw/zinc/56/65/42/598566542.db2.gz WMCSCJSDAGFHLY-UHFFFAOYSA-N -1 3 376.420 3.818 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1C2CCC1CC2 ZINC000738173975 598566543 /nfs/dbraw/zinc/56/65/43/598566543.db2.gz WMCSCJSDAGFHLY-UHFFFAOYSA-N -1 3 376.420 3.818 20 0 GHADHM Cc1ccc(-n2ccnc2SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737302543 598568031 /nfs/dbraw/zinc/56/80/31/598568031.db2.gz AFRZNDZJYAGOQF-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1ccc(-n2ccnc2SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737302543 598568034 /nfs/dbraw/zinc/56/80/34/598568034.db2.gz AFRZNDZJYAGOQF-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737561566 598568361 /nfs/dbraw/zinc/56/83/61/598568361.db2.gz IXENZBZUKGUCJR-GHMZBOCLSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737561566 598568362 /nfs/dbraw/zinc/56/83/62/598568362.db2.gz IXENZBZUKGUCJR-GHMZBOCLSA-N -1 3 375.404 3.565 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737848256 598586634 /nfs/dbraw/zinc/58/66/34/598586634.db2.gz QNPBEKOHMLMDIR-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737848256 598586635 /nfs/dbraw/zinc/58/66/35/598586635.db2.gz QNPBEKOHMLMDIR-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736625774 598602944 /nfs/dbraw/zinc/60/29/44/598602944.db2.gz MFCWXVUWFCUIAL-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736625774 598602946 /nfs/dbraw/zinc/60/29/46/598602946.db2.gz MFCWXVUWFCUIAL-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM Fc1ccc(NCc2cccc(COCc3ccco3)c2)c(-c2nnn[n-]2)c1 ZINC000737656142 598633842 /nfs/dbraw/zinc/63/38/42/598633842.db2.gz KKCRAIFHXDVADA-UHFFFAOYSA-N -1 3 379.395 3.928 20 0 GHADHM Fc1ccc(NCc2cccc(COCc3ccco3)c2)c(-c2nn[n-]n2)c1 ZINC000737656142 598633844 /nfs/dbraw/zinc/63/38/44/598633844.db2.gz KKCRAIFHXDVADA-UHFFFAOYSA-N -1 3 379.395 3.928 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1cccs1 ZINC000736121257 598646186 /nfs/dbraw/zinc/64/61/86/598646186.db2.gz AQDDGUJKMNCONJ-GFCCVEGCSA-N -1 3 392.444 3.607 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1cccs1 ZINC000736121257 598646189 /nfs/dbraw/zinc/64/61/89/598646189.db2.gz AQDDGUJKMNCONJ-GFCCVEGCSA-N -1 3 392.444 3.607 20 0 GHADHM CC(C)(C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(F)cc1 ZINC000735583410 598646574 /nfs/dbraw/zinc/64/65/74/598646574.db2.gz YNSAGROEQOVZCM-UHFFFAOYSA-N -1 3 385.468 3.862 20 0 GHADHM CC(C)(C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(F)cc1 ZINC000735583410 598646576 /nfs/dbraw/zinc/64/65/76/598646576.db2.gz YNSAGROEQOVZCM-UHFFFAOYSA-N -1 3 385.468 3.862 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736827351 598646919 /nfs/dbraw/zinc/64/69/19/598646919.db2.gz BMIJPCZXZKUTBH-UHFFFAOYSA-N -1 3 399.882 3.728 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736827351 598646921 /nfs/dbraw/zinc/64/69/21/598646921.db2.gz BMIJPCZXZKUTBH-UHFFFAOYSA-N -1 3 399.882 3.728 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc2ccccc2n1 ZINC000737833532 598649115 /nfs/dbraw/zinc/64/91/15/598649115.db2.gz VTODUQGIXAWNIP-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc2ccccc2n1 ZINC000737833532 598649117 /nfs/dbraw/zinc/64/91/17/598649117.db2.gz VTODUQGIXAWNIP-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736830070 598650121 /nfs/dbraw/zinc/65/01/21/598650121.db2.gz QBYXZLHZLJPEPM-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736830070 598650123 /nfs/dbraw/zinc/65/01/23/598650123.db2.gz QBYXZLHZLJPEPM-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735874943 598652333 /nfs/dbraw/zinc/65/23/33/598652333.db2.gz WRQMDBTZFHQQNV-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM CC(C)N(Cc1cccc(F)c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735874943 598652335 /nfs/dbraw/zinc/65/23/35/598652335.db2.gz WRQMDBTZFHQQNV-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736111136 598653067 /nfs/dbraw/zinc/65/30/67/598653067.db2.gz KTURLVLVYCFKCK-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736111136 598653069 /nfs/dbraw/zinc/65/30/69/598653069.db2.gz KTURLVLVYCFKCK-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736247357 598654638 /nfs/dbraw/zinc/65/46/38/598654638.db2.gz BXXJEDMWCMWGIY-HUUCEWRRSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736247357 598654640 /nfs/dbraw/zinc/65/46/40/598654640.db2.gz BXXJEDMWCMWGIY-HUUCEWRRSA-N -1 3 392.463 3.610 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)cc1 ZINC000737570061 598655265 /nfs/dbraw/zinc/65/52/65/598655265.db2.gz ABWIXMSERSTANJ-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)cc1 ZINC000737570061 598655266 /nfs/dbraw/zinc/65/52/66/598655266.db2.gz ABWIXMSERSTANJ-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)[C@@H](C)C(C)C ZINC000736509182 598656072 /nfs/dbraw/zinc/65/60/72/598656072.db2.gz UFYNYMHFHONJSC-AWEZNQCLSA-N -1 3 380.452 3.561 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)[C@@H](C)C(C)C ZINC000736509182 598656075 /nfs/dbraw/zinc/65/60/75/598656075.db2.gz UFYNYMHFHONJSC-AWEZNQCLSA-N -1 3 380.452 3.561 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc2nccn2c1 ZINC000738173088 598656301 /nfs/dbraw/zinc/65/63/01/598656301.db2.gz BHKWZWPFQFIXLU-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc2nccn2c1 ZINC000738173088 598656303 /nfs/dbraw/zinc/65/63/03/598656303.db2.gz BHKWZWPFQFIXLU-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM Cc1cccc2c1CCN2C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737411301 598657044 /nfs/dbraw/zinc/65/70/44/598657044.db2.gz ZRXWGQAVKXEEIV-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1cccc2c1CCN2C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737411301 598657046 /nfs/dbraw/zinc/65/70/46/598657046.db2.gz ZRXWGQAVKXEEIV-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@@H]1C ZINC000736502577 598657176 /nfs/dbraw/zinc/65/71/76/598657176.db2.gz OCKMBEQZZMAVRY-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@@H]1C ZINC000736502577 598657178 /nfs/dbraw/zinc/65/71/78/598657178.db2.gz OCKMBEQZZMAVRY-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736732606 598661469 /nfs/dbraw/zinc/66/14/69/598661469.db2.gz MSLGXKGGKRZXJK-QGZVFWFLSA-N -1 3 389.381 3.561 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736732606 598661471 /nfs/dbraw/zinc/66/14/71/598661471.db2.gz MSLGXKGGKRZXJK-QGZVFWFLSA-N -1 3 389.381 3.561 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cnn2ccccc12 ZINC000738183614 598665393 /nfs/dbraw/zinc/66/53/93/598665393.db2.gz KQLYBIWDPUSJJC-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736214353 598670333 /nfs/dbraw/zinc/67/03/33/598670333.db2.gz NSUHWAPOCOZLEK-KRWDZBQOSA-N -1 3 397.866 3.512 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736214353 598670335 /nfs/dbraw/zinc/67/03/35/598670335.db2.gz NSUHWAPOCOZLEK-KRWDZBQOSA-N -1 3 397.866 3.512 20 0 GHADHM CC(C)C[C@H](C)Oc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)ccn1 ZINC000735761895 598675268 /nfs/dbraw/zinc/67/52/68/598675268.db2.gz RFZZWCPTZNHCNE-AWEZNQCLSA-N -1 3 393.495 3.571 20 0 GHADHM CC(C)C[C@H](C)Oc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)ccn1 ZINC000735761895 598675270 /nfs/dbraw/zinc/67/52/70/598675270.db2.gz RFZZWCPTZNHCNE-AWEZNQCLSA-N -1 3 393.495 3.571 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000737833112 598684009 /nfs/dbraw/zinc/68/40/09/598684009.db2.gz OVBDQWONRFPTHG-HXUWFJFHSA-N -1 3 391.475 3.780 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000737833112 598684011 /nfs/dbraw/zinc/68/40/11/598684011.db2.gz OVBDQWONRFPTHG-HXUWFJFHSA-N -1 3 391.475 3.780 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737423344 598696439 /nfs/dbraw/zinc/69/64/39/598696439.db2.gz QSVPDPFABVAOQM-ZIAGYGMSSA-N -1 3 399.495 3.813 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737423344 598696442 /nfs/dbraw/zinc/69/64/42/598696442.db2.gz QSVPDPFABVAOQM-ZIAGYGMSSA-N -1 3 399.495 3.813 20 0 GHADHM CCc1ccccc1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736701550 598696724 /nfs/dbraw/zinc/69/67/24/598696724.db2.gz DGJMGSSKAMNJJE-LBPRGKRZSA-N -1 3 385.468 3.829 20 0 GHADHM CCc1ccccc1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736701550 598696726 /nfs/dbraw/zinc/69/67/26/598696726.db2.gz DGJMGSSKAMNJJE-LBPRGKRZSA-N -1 3 385.468 3.829 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000736192960 598698121 /nfs/dbraw/zinc/69/81/21/598698121.db2.gz OKZPDFRBSQUSAN-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000736192960 598698122 /nfs/dbraw/zinc/69/81/22/598698122.db2.gz OKZPDFRBSQUSAN-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2cccs2)n1 ZINC000738234908 598707096 /nfs/dbraw/zinc/70/70/96/598707096.db2.gz HDHLEFLVBWHTON-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2cccs2)n1 ZINC000738234908 598707097 /nfs/dbraw/zinc/70/70/97/598707097.db2.gz HDHLEFLVBWHTON-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM Cc1cccc(OCCCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737400929 598709639 /nfs/dbraw/zinc/70/96/39/598709639.db2.gz HKERUFDAZXFOQF-UHFFFAOYSA-N -1 3 384.411 3.607 20 0 GHADHM Cc1cccc(OCCCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737400929 598709640 /nfs/dbraw/zinc/70/96/40/598709640.db2.gz HKERUFDAZXFOQF-UHFFFAOYSA-N -1 3 384.411 3.607 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736322871 598727658 /nfs/dbraw/zinc/72/76/58/598727658.db2.gz QIOCZVKLGRSJIG-CYBMUJFWSA-N -1 3 381.440 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736321658 598727840 /nfs/dbraw/zinc/72/78/40/598727840.db2.gz FQDBUOGKLAQOIL-ZDUSSCGKSA-N -1 3 381.440 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736321658 598727841 /nfs/dbraw/zinc/72/78/41/598727841.db2.gz FQDBUOGKLAQOIL-ZDUSSCGKSA-N -1 3 381.440 3.564 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736252844 598734553 /nfs/dbraw/zinc/73/45/53/598734553.db2.gz RWDHSITUSOUTQI-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736252844 598734554 /nfs/dbraw/zinc/73/45/54/598734554.db2.gz RWDHSITUSOUTQI-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H](OC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159585 598735427 /nfs/dbraw/zinc/73/54/27/598735427.db2.gz XCUYKLKEWNIYER-SECBINFHSA-N -1 3 384.346 3.599 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)c21 ZINC000737410706 598736854 /nfs/dbraw/zinc/73/68/54/598736854.db2.gz XPSSOOJDDMGFSB-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)c21 ZINC000737410706 598736855 /nfs/dbraw/zinc/73/68/55/598736855.db2.gz XPSSOOJDDMGFSB-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC[C@H]1CCc2ccccc21 ZINC000737840931 598740574 /nfs/dbraw/zinc/74/05/74/598740574.db2.gz FUGQVMGEPAUFIR-GOSISDBHSA-N -1 3 392.459 3.689 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC[C@H]1CCc2ccccc21 ZINC000737840931 598740575 /nfs/dbraw/zinc/74/05/75/598740575.db2.gz FUGQVMGEPAUFIR-GOSISDBHSA-N -1 3 392.459 3.689 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736060174 598741024 /nfs/dbraw/zinc/74/10/24/598741024.db2.gz ZJPMZNDKQCETDE-INIZCTEOSA-N -1 3 387.443 3.872 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736060174 598741025 /nfs/dbraw/zinc/74/10/25/598741025.db2.gz ZJPMZNDKQCETDE-INIZCTEOSA-N -1 3 387.443 3.872 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736277616 598741695 /nfs/dbraw/zinc/74/16/95/598741695.db2.gz AMOFHWWIANRPJM-OLZOCXBDSA-N -1 3 381.505 3.870 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736277616 598741697 /nfs/dbraw/zinc/74/16/97/598741697.db2.gz AMOFHWWIANRPJM-OLZOCXBDSA-N -1 3 381.505 3.870 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000736479954 598741845 /nfs/dbraw/zinc/74/18/45/598741845.db2.gz NQJKEGVHCWDLQV-SFHVURJKSA-N -1 3 389.503 3.801 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000736479954 598741846 /nfs/dbraw/zinc/74/18/46/598741846.db2.gz NQJKEGVHCWDLQV-SFHVURJKSA-N -1 3 389.503 3.801 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736194117 598751230 /nfs/dbraw/zinc/75/12/30/598751230.db2.gz ZMEIYHQBDRHYDU-MRVPVSSYSA-N -1 3 388.503 3.657 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736194117 598751231 /nfs/dbraw/zinc/75/12/31/598751231.db2.gz ZMEIYHQBDRHYDU-MRVPVSSYSA-N -1 3 388.503 3.657 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccnc(C2CC2)n1 ZINC000738210712 598754393 /nfs/dbraw/zinc/75/43/93/598754393.db2.gz UEFRJNXCFCIQBU-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccnc(C2CC2)n1 ZINC000738210712 598754395 /nfs/dbraw/zinc/75/43/95/598754395.db2.gz UEFRJNXCFCIQBU-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737421348 598755052 /nfs/dbraw/zinc/75/50/52/598755052.db2.gz LUOBOPOXPGJSRH-IBGZPJMESA-N -1 3 381.505 3.781 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421348 598755054 /nfs/dbraw/zinc/75/50/54/598755054.db2.gz LUOBOPOXPGJSRH-IBGZPJMESA-N -1 3 381.505 3.781 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3c[nH]c4ccccc34)c2c1 ZINC000737650316 598771377 /nfs/dbraw/zinc/77/13/77/598771377.db2.gz HGKJTBFDVRTUCZ-UHFFFAOYSA-N -1 3 391.385 3.829 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3c[nH]c4ccccc34)c2c1 ZINC000737650316 598771378 /nfs/dbraw/zinc/77/13/78/598771378.db2.gz HGKJTBFDVRTUCZ-UHFFFAOYSA-N -1 3 391.385 3.829 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCCOc3ccccc3)c2c1 ZINC000737653918 598771424 /nfs/dbraw/zinc/77/14/24/598771424.db2.gz UOPPPALCQBOGPN-UHFFFAOYSA-N -1 3 382.374 3.574 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCCOc3ccccc3)c2c1 ZINC000737653918 598771425 /nfs/dbraw/zinc/77/14/25/598771425.db2.gz UOPPPALCQBOGPN-UHFFFAOYSA-N -1 3 382.374 3.574 20 0 GHADHM CCc1ccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736688258 598780877 /nfs/dbraw/zinc/78/08/77/598780877.db2.gz CMHXVSUNSLHHKW-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CC(C)Oc1ccc(CCCOC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735915266 598786219 /nfs/dbraw/zinc/78/62/19/598786219.db2.gz NYLKEJUZGGUZQQ-UHFFFAOYSA-N -1 3 394.475 3.763 20 0 GHADHM CC(C)Oc1ccc(CCCOC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735915266 598786222 /nfs/dbraw/zinc/78/62/22/598786222.db2.gz NYLKEJUZGGUZQQ-UHFFFAOYSA-N -1 3 394.475 3.763 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123967 598792563 /nfs/dbraw/zinc/79/25/63/598792563.db2.gz SOSPPOZGSMVULP-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123967 598792565 /nfs/dbraw/zinc/79/25/65/598792565.db2.gz SOSPPOZGSMVULP-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736820891 598800504 /nfs/dbraw/zinc/80/05/04/598800504.db2.gz RKTFVBRDJWMXER-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736820891 598800505 /nfs/dbraw/zinc/80/05/05/598800505.db2.gz RKTFVBRDJWMXER-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM CC[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334038 598806341 /nfs/dbraw/zinc/80/63/41/598806341.db2.gz RXOVNCZYFHIQNY-OAHLLOKOSA-N -1 3 387.447 3.575 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1cc2ccccc2[nH]c1=O ZINC000821752009 607367395 /nfs/dbraw/zinc/36/73/95/607367395.db2.gz FCPZTWFMDOXGSD-UHFFFAOYSA-N -1 3 379.445 3.563 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cc2ccccc2[nH]c1=O ZINC000821752009 607367396 /nfs/dbraw/zinc/36/73/96/607367396.db2.gz FCPZTWFMDOXGSD-UHFFFAOYSA-N -1 3 379.445 3.563 20 0 GHADHM CCC/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736439538 598821384 /nfs/dbraw/zinc/82/13/84/598821384.db2.gz RCXKITHLPWZYMN-XBXARRHUSA-N -1 3 381.411 3.880 20 0 GHADHM CCC/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736439538 598821385 /nfs/dbraw/zinc/82/13/85/598821385.db2.gz RCXKITHLPWZYMN-XBXARRHUSA-N -1 3 381.411 3.880 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cc(-c3nnn[n-]3)ccc2OC)cs1 ZINC000821345939 607367724 /nfs/dbraw/zinc/36/77/24/607367724.db2.gz AYQBNGRXWGVYPG-LLVKDONJSA-N -1 3 391.522 3.863 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cc(-c3nn[n-]n3)ccc2OC)cs1 ZINC000821345939 607367726 /nfs/dbraw/zinc/36/77/26/607367726.db2.gz AYQBNGRXWGVYPG-LLVKDONJSA-N -1 3 391.522 3.863 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735596591 599304494 /nfs/dbraw/zinc/30/44/94/599304494.db2.gz KPCDRSXEOFHVCM-GWCFXTLKSA-N -1 3 384.406 3.534 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735596591 599304497 /nfs/dbraw/zinc/30/44/97/599304497.db2.gz KPCDRSXEOFHVCM-GWCFXTLKSA-N -1 3 384.406 3.534 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737463291 599314529 /nfs/dbraw/zinc/31/45/29/599314529.db2.gz QDSJXKUZVDIFMU-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737463291 599314532 /nfs/dbraw/zinc/31/45/32/599314532.db2.gz QDSJXKUZVDIFMU-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM FC(F)Oc1ccc(Br)cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000324187915 599324830 /nfs/dbraw/zinc/32/48/30/599324830.db2.gz JFBBMTOBMABKFH-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM FC(F)Oc1ccc(Br)cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000324187915 599324832 /nfs/dbraw/zinc/32/48/32/599324832.db2.gz JFBBMTOBMABKFH-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736188605 599330203 /nfs/dbraw/zinc/33/02/03/599330203.db2.gz LPCRYBAAOGFJJS-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736188605 599330206 /nfs/dbraw/zinc/33/02/06/599330206.db2.gz LPCRYBAAOGFJJS-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737102050 599331377 /nfs/dbraw/zinc/33/13/77/599331377.db2.gz LRJSPPZCRCRDRZ-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737102050 599331380 /nfs/dbraw/zinc/33/13/80/599331380.db2.gz LRJSPPZCRCRDRZ-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191850 599331591 /nfs/dbraw/zinc/33/15/91/599331591.db2.gz XFONOUTYNATRTJ-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191850 599331594 /nfs/dbraw/zinc/33/15/94/599331594.db2.gz XFONOUTYNATRTJ-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](Nc1ncnc2ccc(Br)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820461307 599355375 /nfs/dbraw/zinc/35/53/75/599355375.db2.gz HALYCVMPLYYFPV-JTQLQIEISA-N -1 3 396.252 3.746 20 0 GHADHM C[C@H](Nc1ncnc2ccc(Br)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820461307 599355378 /nfs/dbraw/zinc/35/53/78/599355378.db2.gz HALYCVMPLYYFPV-JTQLQIEISA-N -1 3 396.252 3.746 20 0 GHADHM FC(F)Oc1ccccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000737639734 599362349 /nfs/dbraw/zinc/36/23/49/599362349.db2.gz WEFARFMURFDCFS-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM FC(F)Oc1ccccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000737639734 599362352 /nfs/dbraw/zinc/36/23/52/599362352.db2.gz WEFARFMURFDCFS-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735984355 599379591 /nfs/dbraw/zinc/37/95/91/599379591.db2.gz CSOGIFJFFDQBQB-CQSZACIVSA-N -1 3 397.479 3.983 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735984355 599379593 /nfs/dbraw/zinc/37/95/93/599379593.db2.gz CSOGIFJFFDQBQB-CQSZACIVSA-N -1 3 397.479 3.983 20 0 GHADHM Cc1cc(Cl)cc(C)c1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822202420 599382556 /nfs/dbraw/zinc/38/25/56/599382556.db2.gz YZKBMIUGSPYXRI-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM Cc1cc(Cl)cc(C)c1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822202420 599382559 /nfs/dbraw/zinc/38/25/59/599382559.db2.gz YZKBMIUGSPYXRI-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM C[C@@H](N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404478 599388344 /nfs/dbraw/zinc/38/83/44/599388344.db2.gz WHCHEBYSTXCNPP-IERDGZPVSA-N -1 3 398.470 3.897 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415008 607372350 /nfs/dbraw/zinc/37/23/50/607372350.db2.gz ONMTXRKMMKCGSF-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415008 607372351 /nfs/dbraw/zinc/37/23/51/607372351.db2.gz ONMTXRKMMKCGSF-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM COc1ccc(-c2nc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000821731413 599393351 /nfs/dbraw/zinc/39/33/51/599393351.db2.gz CRHYKUWMKQCZQJ-CYBMUJFWSA-N -1 3 392.488 3.850 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820155735 599416463 /nfs/dbraw/zinc/41/64/63/599416463.db2.gz VYNJMHCGNHFMEM-GJZGRUSLSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820155735 599416466 /nfs/dbraw/zinc/41/64/66/599416466.db2.gz VYNJMHCGNHFMEM-GJZGRUSLSA-N -1 3 394.479 3.775 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359099 599419165 /nfs/dbraw/zinc/41/91/65/599419165.db2.gz RODNEAQRQOKWPP-ZBEGNZNMSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359099 599419166 /nfs/dbraw/zinc/41/91/66/599419166.db2.gz RODNEAQRQOKWPP-ZBEGNZNMSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339235 599419826 /nfs/dbraw/zinc/41/98/26/599419826.db2.gz AIWSOHOAOLZLDN-YVEFUNNKSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339235 599419829 /nfs/dbraw/zinc/41/98/29/599419829.db2.gz AIWSOHOAOLZLDN-YVEFUNNKSA-N -1 3 382.855 3.738 20 0 GHADHM O[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc2ccccc2c1 ZINC000738385145 599434676 /nfs/dbraw/zinc/43/46/76/599434676.db2.gz WFTOZJGNVLRBHV-FQEVSTJZSA-N -1 3 382.427 3.714 20 0 GHADHM O[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc2ccccc2c1 ZINC000738385145 599434677 /nfs/dbraw/zinc/43/46/77/599434677.db2.gz WFTOZJGNVLRBHV-FQEVSTJZSA-N -1 3 382.427 3.714 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358537 599435932 /nfs/dbraw/zinc/43/59/32/599435932.db2.gz NMSGYWRYLUCYMT-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358537 599435935 /nfs/dbraw/zinc/43/59/35/599435935.db2.gz NMSGYWRYLUCYMT-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822299543 599461634 /nfs/dbraw/zinc/46/16/34/599461634.db2.gz MCQVIFWSWADYDP-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822299543 599461636 /nfs/dbraw/zinc/46/16/36/599461636.db2.gz MCQVIFWSWADYDP-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000735874486 599464573 /nfs/dbraw/zinc/46/45/73/599464573.db2.gz ITXSQHKDDTYISA-UHFFFAOYSA-N -1 3 389.912 3.951 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1cc(Cl)cs1 ZINC000735874486 599464576 /nfs/dbraw/zinc/46/45/76/599464576.db2.gz ITXSQHKDDTYISA-UHFFFAOYSA-N -1 3 389.912 3.951 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822351226 599472529 /nfs/dbraw/zinc/47/25/29/599472529.db2.gz MDJBBXXVETXNJO-MRXNPFEDSA-N -1 3 390.491 3.825 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822351226 599472533 /nfs/dbraw/zinc/47/25/33/599472533.db2.gz MDJBBXXVETXNJO-MRXNPFEDSA-N -1 3 390.491 3.825 20 0 GHADHM COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821777638 599474984 /nfs/dbraw/zinc/47/49/84/599474984.db2.gz KFANVGXMSHJKFO-AUUYWEPGSA-N -1 3 394.479 3.633 20 0 GHADHM COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821777638 599474986 /nfs/dbraw/zinc/47/49/86/599474986.db2.gz KFANVGXMSHJKFO-AUUYWEPGSA-N -1 3 394.479 3.633 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341649 599476143 /nfs/dbraw/zinc/47/61/43/599476143.db2.gz QXZRLMCCROEIET-SJKOYZFVSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341649 599476146 /nfs/dbraw/zinc/47/61/46/599476146.db2.gz QXZRLMCCROEIET-SJKOYZFVSA-N -1 3 382.855 3.738 20 0 GHADHM COc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000821716645 599481156 /nfs/dbraw/zinc/48/11/56/599481156.db2.gz DIIVVGRFGMFQMP-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000821716645 599481157 /nfs/dbraw/zinc/48/11/57/599481157.db2.gz DIIVVGRFGMFQMP-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822206817 599495641 /nfs/dbraw/zinc/49/56/41/599495641.db2.gz AGCBGYLBJGAYDR-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1C(F)(F)F ZINC000822207157 599495660 /nfs/dbraw/zinc/49/56/60/599495660.db2.gz MSKLGZNNWAQBBK-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1C(F)(F)F ZINC000822207157 599495662 /nfs/dbraw/zinc/49/56/62/599495662.db2.gz MSKLGZNNWAQBBK-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396860 599500101 /nfs/dbraw/zinc/50/01/01/599500101.db2.gz ITOLKHCZGIEMIX-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396860 599500103 /nfs/dbraw/zinc/50/01/03/599500103.db2.gz ITOLKHCZGIEMIX-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2ccnc(C)n2)cc1 ZINC000821703047 599513857 /nfs/dbraw/zinc/51/38/57/599513857.db2.gz MEMBQXNZEKCFEV-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2ccnc(C)n2)cc1 ZINC000821703047 599513859 /nfs/dbraw/zinc/51/38/59/599513859.db2.gz MEMBQXNZEKCFEV-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397823 599516722 /nfs/dbraw/zinc/51/67/22/599516722.db2.gz UYMXHBHPFPGSCV-LBPRGKRZSA-N -1 3 397.529 3.836 20 0 GHADHM C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397823 599516724 /nfs/dbraw/zinc/51/67/24/599516724.db2.gz UYMXHBHPFPGSCV-LBPRGKRZSA-N -1 3 397.529 3.836 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCCN(c2ccccc2)CC1 ZINC000737627951 599521275 /nfs/dbraw/zinc/52/12/75/599521275.db2.gz SBWGWOFMDYYACQ-UHFFFAOYSA-N -1 3 388.397 3.602 20 0 GHADHM C[C@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820397993 599522036 /nfs/dbraw/zinc/52/20/36/599522036.db2.gz YOQDUAJXGVEBQS-ZDUSSCGKSA-N -1 3 386.459 3.718 20 0 GHADHM C[C@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820397993 599522039 /nfs/dbraw/zinc/52/20/39/599522039.db2.gz YOQDUAJXGVEBQS-ZDUSSCGKSA-N -1 3 386.459 3.718 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737424823 599537303 /nfs/dbraw/zinc/53/73/03/599537303.db2.gz YFYLNZGTBLBZSV-HUUCEWRRSA-N -1 3 378.505 3.750 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737424823 599537306 /nfs/dbraw/zinc/53/73/06/599537306.db2.gz YFYLNZGTBLBZSV-HUUCEWRRSA-N -1 3 378.505 3.750 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736281192 599539078 /nfs/dbraw/zinc/53/90/78/599539078.db2.gz TUGDEDVZRIJWRM-MRXNPFEDSA-N -1 3 391.475 3.784 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736281192 599539081 /nfs/dbraw/zinc/53/90/81/599539081.db2.gz TUGDEDVZRIJWRM-MRXNPFEDSA-N -1 3 391.475 3.784 20 0 GHADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)n1 ZINC000822197870 599539199 /nfs/dbraw/zinc/53/91/99/599539199.db2.gz SHNBJBLTBOLFIU-CQSZACIVSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)n1 ZINC000822197870 599539201 /nfs/dbraw/zinc/53/92/01/599539201.db2.gz SHNBJBLTBOLFIU-CQSZACIVSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C2)n1 ZINC000822197693 599539274 /nfs/dbraw/zinc/53/92/74/599539274.db2.gz LIVSKKLCCQKXNB-AWEZNQCLSA-N -1 3 391.401 3.540 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cccs1 ZINC000735561025 599540887 /nfs/dbraw/zinc/54/08/87/599540887.db2.gz UQBZNKKZVSPKMG-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccs1 ZINC000735561025 599540890 /nfs/dbraw/zinc/54/08/90/599540890.db2.gz UQBZNKKZVSPKMG-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737334478 599550977 /nfs/dbraw/zinc/55/09/77/599550977.db2.gz HVRRZPNOTBIYLZ-AWEZNQCLSA-N -1 3 399.520 3.533 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737334478 599550979 /nfs/dbraw/zinc/55/09/79/599550979.db2.gz HVRRZPNOTBIYLZ-AWEZNQCLSA-N -1 3 399.520 3.533 20 0 GHADHM CCS[C@@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821453653 599553357 /nfs/dbraw/zinc/55/33/57/599553357.db2.gz BFDOAOSPUYTLAY-CQSZACIVSA-N -1 3 386.500 3.974 20 0 GHADHM CCS[C@@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821453653 599553359 /nfs/dbraw/zinc/55/33/59/599553359.db2.gz BFDOAOSPUYTLAY-CQSZACIVSA-N -1 3 386.500 3.974 20 0 GHADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738278470 599575074 /nfs/dbraw/zinc/57/50/74/599575074.db2.gz LEZQNTLOTRRNGZ-CZUORRHYSA-N -1 3 395.850 3.937 20 0 GHADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000819883977 599623764 /nfs/dbraw/zinc/62/37/64/599623764.db2.gz PQSUPYZOARMXQT-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000819883977 599623765 /nfs/dbraw/zinc/62/37/65/599623765.db2.gz PQSUPYZOARMXQT-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000820288670 599624370 /nfs/dbraw/zinc/62/43/70/599624370.db2.gz WSBGCPGNMNOQKB-CHWSQXEVSA-N -1 3 386.839 3.634 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000820288670 599624371 /nfs/dbraw/zinc/62/43/71/599624371.db2.gz WSBGCPGNMNOQKB-CHWSQXEVSA-N -1 3 386.839 3.634 20 0 GHADHM C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(F)(F)F ZINC000820513084 599627882 /nfs/dbraw/zinc/62/78/82/599627882.db2.gz UFUYGKMGORNEPE-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(F)(F)F ZINC000820513084 599627883 /nfs/dbraw/zinc/62/78/83/599627883.db2.gz UFUYGKMGORNEPE-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000819765305 599629173 /nfs/dbraw/zinc/62/91/73/599629173.db2.gz NNOJHJHVIMUGQI-VQHVLOKHSA-N -1 3 379.367 3.989 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000819765305 599629174 /nfs/dbraw/zinc/62/91/74/599629174.db2.gz NNOJHJHVIMUGQI-VQHVLOKHSA-N -1 3 379.367 3.989 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2cnc(C(C)(C)C)s2)s1 ZINC000821465744 599630475 /nfs/dbraw/zinc/63/04/75/599630475.db2.gz NQPFFVGTSLZMDO-VOTSOKGWSA-N -1 3 388.522 3.897 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2cnc(C(C)(C)C)s2)s1 ZINC000821465744 599630476 /nfs/dbraw/zinc/63/04/76/599630476.db2.gz NQPFFVGTSLZMDO-VOTSOKGWSA-N -1 3 388.522 3.897 20 0 GHADHM O=C(CCC1CCOCC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822950087 599630943 /nfs/dbraw/zinc/63/09/43/599630943.db2.gz DPYXFAAZFVDGQX-UHFFFAOYSA-N -1 3 383.477 3.741 20 0 GHADHM O=C(CCC1CCOCC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822950087 599630944 /nfs/dbraw/zinc/63/09/44/599630944.db2.gz DPYXFAAZFVDGQX-UHFFFAOYSA-N -1 3 383.477 3.741 20 0 GHADHM COCCN(C(=O)c1cc2cc(C)c(C)cc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689257 599631987 /nfs/dbraw/zinc/63/19/87/599631987.db2.gz SIUFORNJNORXFL-UHFFFAOYSA-N -1 3 391.431 3.523 20 0 GHADHM COCCN(C(=O)c1cc2cc(C)c(C)cc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689257 599631988 /nfs/dbraw/zinc/63/19/88/599631988.db2.gz SIUFORNJNORXFL-UHFFFAOYSA-N -1 3 391.431 3.523 20 0 GHADHM CC(C)c1ccc([C@H](C)NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000820192388 599635069 /nfs/dbraw/zinc/63/50/69/599635069.db2.gz MAAJDDFZGOHRSJ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc([C@H](C)NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000820192388 599635070 /nfs/dbraw/zinc/63/50/70/599635070.db2.gz MAAJDDFZGOHRSJ-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000821700348 599646475 /nfs/dbraw/zinc/64/64/75/599646475.db2.gz LKKRUKCZWPHDPK-SNVBAGLBSA-N -1 3 398.810 3.719 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000821700348 599646476 /nfs/dbraw/zinc/64/64/76/599646476.db2.gz LKKRUKCZWPHDPK-SNVBAGLBSA-N -1 3 398.810 3.719 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)CCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822214012 599651198 /nfs/dbraw/zinc/65/11/98/599651198.db2.gz LNPXSUCLJCADLC-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)CCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822214012 599651199 /nfs/dbraw/zinc/65/11/99/599651199.db2.gz LNPXSUCLJCADLC-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)cc2cccnc21 ZINC000823414533 599661861 /nfs/dbraw/zinc/66/18/61/599661861.db2.gz YZJQBVMDFOLNLO-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)cc2cccnc21 ZINC000823414533 599661862 /nfs/dbraw/zinc/66/18/62/599661862.db2.gz YZJQBVMDFOLNLO-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1C(F)(F)F ZINC000819884138 599665647 /nfs/dbraw/zinc/66/56/47/599665647.db2.gz RZRIPGNAEFQLHU-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1C(F)(F)F ZINC000819884138 599665648 /nfs/dbraw/zinc/66/56/48/599665648.db2.gz RZRIPGNAEFQLHU-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482839 599668022 /nfs/dbraw/zinc/66/80/22/599668022.db2.gz VPOHLRZNNCZLNU-KDOFPFPSSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482839 599668023 /nfs/dbraw/zinc/66/80/23/599668023.db2.gz VPOHLRZNNCZLNU-KDOFPFPSSA-N -1 3 394.479 3.705 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233551 599669147 /nfs/dbraw/zinc/66/91/47/599669147.db2.gz REKMRJQAPLVEDV-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233551 599669148 /nfs/dbraw/zinc/66/91/48/599669148.db2.gz REKMRJQAPLVEDV-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820358765 599669672 /nfs/dbraw/zinc/66/96/72/599669672.db2.gz OVKBNLFGSDSVRJ-NHYWBVRUSA-N -1 3 390.369 3.531 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820358765 599669673 /nfs/dbraw/zinc/66/96/73/599669673.db2.gz OVKBNLFGSDSVRJ-NHYWBVRUSA-N -1 3 390.369 3.531 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C(C)C)s1 ZINC000822236019 599681798 /nfs/dbraw/zinc/68/17/98/599681798.db2.gz GSZYLVGPAGCMEB-AWEZNQCLSA-N -1 3 384.509 3.918 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C(C)C)s1 ZINC000822236019 599681799 /nfs/dbraw/zinc/68/17/99/599681799.db2.gz GSZYLVGPAGCMEB-AWEZNQCLSA-N -1 3 384.509 3.918 20 0 GHADHM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570495 599690477 /nfs/dbraw/zinc/69/04/77/599690477.db2.gz KVTHHTCMXLEFKY-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000736274063 599713858 /nfs/dbraw/zinc/71/38/58/599713858.db2.gz QJSBQDHYAHXTJA-JKSUJKDBSA-N -1 3 378.469 3.732 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1-c1nnn[n-]1 ZINC000820170067 607398820 /nfs/dbraw/zinc/39/88/20/607398820.db2.gz OZNAVTGFNILWED-UHFFFAOYSA-N -1 3 395.250 3.552 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1-c1nn[n-]n1 ZINC000820170067 607398821 /nfs/dbraw/zinc/39/88/21/607398821.db2.gz OZNAVTGFNILWED-UHFFFAOYSA-N -1 3 395.250 3.552 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000826253685 607405287 /nfs/dbraw/zinc/40/52/87/607405287.db2.gz YXTOZYRVMVCIMJ-INIZCTEOSA-N -1 3 390.365 3.955 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000826253685 607405288 /nfs/dbraw/zinc/40/52/88/607405288.db2.gz YXTOZYRVMVCIMJ-INIZCTEOSA-N -1 3 390.365 3.955 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824762306 607418850 /nfs/dbraw/zinc/41/88/50/607418850.db2.gz FQUYDSPFFJRDRT-LBPRGKRZSA-N -1 3 399.907 3.806 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824762306 607418852 /nfs/dbraw/zinc/41/88/52/607418852.db2.gz FQUYDSPFFJRDRT-LBPRGKRZSA-N -1 3 399.907 3.806 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825075815 607422579 /nfs/dbraw/zinc/42/25/79/607422579.db2.gz QUUAKQAJEDVLPR-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825075815 607422581 /nfs/dbraw/zinc/42/25/81/607422581.db2.gz QUUAKQAJEDVLPR-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736633027 600287967 /nfs/dbraw/zinc/28/79/67/600287967.db2.gz IXNINPIXJIOBTR-YRNRMSPPSA-N -1 3 380.488 3.592 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000824040989 607436404 /nfs/dbraw/zinc/43/64/04/607436404.db2.gz WETIZUZNBVUORG-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000824040989 607436405 /nfs/dbraw/zinc/43/64/05/607436405.db2.gz WETIZUZNBVUORG-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825160265 607438156 /nfs/dbraw/zinc/43/81/56/607438156.db2.gz YMHBJBCZVLGKSD-GOSISDBHSA-N -1 3 379.464 3.811 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825160265 607438158 /nfs/dbraw/zinc/43/81/58/607438158.db2.gz YMHBJBCZVLGKSD-GOSISDBHSA-N -1 3 379.464 3.811 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812629 607441257 /nfs/dbraw/zinc/44/12/57/607441257.db2.gz OZPBIBBPZXCXKH-HZPDHXFCSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812629 607441259 /nfs/dbraw/zinc/44/12/59/607441259.db2.gz OZPBIBBPZXCXKH-HZPDHXFCSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817649 607442295 /nfs/dbraw/zinc/44/22/95/607442295.db2.gz MLERLNDLIKPOJS-UHFFFAOYSA-N -1 3 391.406 3.861 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817649 607442297 /nfs/dbraw/zinc/44/22/97/607442297.db2.gz MLERLNDLIKPOJS-UHFFFAOYSA-N -1 3 391.406 3.861 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC ZINC000426801855 600437682 /nfs/dbraw/zinc/43/76/82/600437682.db2.gz STVHVLPJLYHLIJ-KRWDZBQOSA-N -1 3 394.265 3.772 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CNC(C)(C)C(=O)[O-])cs1 ZINC000737917896 600460061 /nfs/dbraw/zinc/46/00/61/600460061.db2.gz RLCHHRPZELBKQY-UHFFFAOYSA-N -1 3 385.283 3.534 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000736723553 600516134 /nfs/dbraw/zinc/51/61/34/600516134.db2.gz GXWFGHIRZKNRLX-XJKSGUPXSA-N -1 3 387.867 3.995 20 0 GHADHM CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736490657 600522320 /nfs/dbraw/zinc/52/23/20/600522320.db2.gz ANDDVMFUWGLKTP-HOTGVXAUSA-N -1 3 384.476 3.528 20 0 GHADHM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc2c(c1)CCCC2 ZINC000827727322 600691041 /nfs/dbraw/zinc/69/10/41/600691041.db2.gz IMQASZPARSPNRQ-FZKQIMNGSA-N -1 3 384.501 3.781 20 0 GHADHM O=C([O-])[C@H](N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1F ZINC000833166271 600747270 /nfs/dbraw/zinc/74/72/70/600747270.db2.gz FGAQPQOGSLORIU-SUMWQHHRSA-N -1 3 393.256 3.582 20 0 GHADHM C[C@H](CN[C@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Br)c1 ZINC000827502363 600758483 /nfs/dbraw/zinc/75/84/83/600758483.db2.gz KOFFLCQQCMDTMY-BZNIZROVSA-N -1 3 382.229 3.771 20 0 GHADHM Fc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826375048 607471988 /nfs/dbraw/zinc/47/19/88/607471988.db2.gz XJIRNJPGKKJQOD-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826375048 607471990 /nfs/dbraw/zinc/47/19/90/607471990.db2.gz XJIRNJPGKKJQOD-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(COCc2ccco2)c1 ZINC000822744306 607475721 /nfs/dbraw/zinc/47/57/21/607475721.db2.gz QITNXUHWQFJZAW-UHFFFAOYSA-N -1 3 379.395 3.928 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(COCc2ccco2)c1 ZINC000822744306 607475724 /nfs/dbraw/zinc/47/57/24/607475724.db2.gz QITNXUHWQFJZAW-UHFFFAOYSA-N -1 3 379.395 3.928 20 0 GHADHM CC(C)C[C@H](C)Oc1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)ccn1 ZINC000820055279 607480298 /nfs/dbraw/zinc/48/02/98/607480298.db2.gz HKGZGMFJUHKPBW-AWEZNQCLSA-N -1 3 384.459 3.504 20 0 GHADHM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000833180077 601088930 /nfs/dbraw/zinc/08/89/30/601088930.db2.gz UAAABOUKVOBGLB-NHCUHLMSSA-N -1 3 384.520 3.778 20 0 GHADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000826118163 601095327 /nfs/dbraw/zinc/09/53/27/601095327.db2.gz BSVDJEFHSZTELU-FQEVSTJZSA-N -1 3 395.503 3.835 20 0 GHADHM CC(C)OCCOCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820145723 607488693 /nfs/dbraw/zinc/48/86/93/607488693.db2.gz FDFYATSDGIGRFB-UHFFFAOYSA-N -1 3 385.443 3.560 20 0 GHADHM CC(C)OCCOCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820145723 607488696 /nfs/dbraw/zinc/48/86/96/607488696.db2.gz FDFYATSDGIGRFB-UHFFFAOYSA-N -1 3 385.443 3.560 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000832980168 601146338 /nfs/dbraw/zinc/14/63/38/601146338.db2.gz WHLCWBCQTJXKCO-UHFFFAOYSA-N -1 3 381.476 3.741 20 0 GHADHM C[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1ccccc1Br ZINC000827501828 601150617 /nfs/dbraw/zinc/15/06/17/601150617.db2.gz DUDPEUPWBQOMGQ-BDJLRTHQSA-N -1 3 382.229 3.771 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)nc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830811094 601416435 /nfs/dbraw/zinc/41/64/35/601416435.db2.gz MHFZOEYTDCFCAR-QGZVFWFLSA-N -1 3 391.258 3.832 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823963237 607509204 /nfs/dbraw/zinc/50/92/04/607509204.db2.gz YXWNBOAUCYNSOL-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823963237 607509205 /nfs/dbraw/zinc/50/92/05/607509205.db2.gz YXWNBOAUCYNSOL-UHFFFAOYSA-N -1 3 393.447 3.993 20 0 GHADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(N2CCCC2)c1 ZINC000827727664 601500155 /nfs/dbraw/zinc/50/01/55/601500155.db2.gz KYPIXJCZJMESRX-KBXCAEBGSA-N -1 3 399.516 3.503 20 0 GHADHM CN(C[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000830718781 601625626 /nfs/dbraw/zinc/62/56/26/601625626.db2.gz YKPWSRVHMHMWPF-OAHLLOKOSA-N -1 3 380.460 3.603 20 0 GHADHM Cc1ccc([C@H](NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832923797 601652824 /nfs/dbraw/zinc/65/28/24/601652824.db2.gz DXRBXJBKOVKWFH-HVETUWLQSA-N -1 3 380.488 3.614 20 0 GHADHM CN(C)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000830569885 601970297 /nfs/dbraw/zinc/97/02/97/601970297.db2.gz VNXOECNBCLKNMM-INIZCTEOSA-N -1 3 381.259 3.611 20 0 GHADHM COCCOc1cccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000831785088 601973180 /nfs/dbraw/zinc/97/31/80/601973180.db2.gz ZQDWETOGBARJKP-QGZVFWFLSA-N -1 3 384.259 3.934 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1-c1nnn[n-]1 ZINC000826207771 607540659 /nfs/dbraw/zinc/54/06/59/607540659.db2.gz COSNOBHNDPYIJU-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1-c1nn[n-]n1 ZINC000826207771 607540661 /nfs/dbraw/zinc/54/06/61/607540661.db2.gz COSNOBHNDPYIJU-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cccc(Br)c2)C(=O)[O-])c1 ZINC000832048798 602165192 /nfs/dbraw/zinc/16/51/92/602165192.db2.gz ANWXNKOPADDLQZ-PIGZYNQJSA-N -1 3 394.265 3.943 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826440577 607578294 /nfs/dbraw/zinc/57/82/94/607578294.db2.gz SCGXUFKCRJOVEB-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826440577 607578296 /nfs/dbraw/zinc/57/82/96/607578296.db2.gz SCGXUFKCRJOVEB-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C([O-])N(CCCNCc1ccccc1Br)Cc1cccnc1 ZINC000740489480 602649111 /nfs/dbraw/zinc/64/91/11/602649111.db2.gz NVBJRLDXFSNWMA-UHFFFAOYSA-N -1 3 378.270 3.504 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739060320 603228909 /nfs/dbraw/zinc/22/89/09/603228909.db2.gz RXFQUUNJTLATBY-XJKSGUPXSA-N -1 3 387.867 3.995 20 0 GHADHM O=C([O-])N1CCC[C@@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000739483256 603245790 /nfs/dbraw/zinc/24/57/90/603245790.db2.gz ALOAAHGRDLUAGC-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC000826249905 607665660 /nfs/dbraw/zinc/66/56/60/607665660.db2.gz APPSQKAHTNSCTO-UHFFFAOYSA-N -1 3 399.458 3.696 20 0 GHADHM COc1c(Cl)cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000826167296 607680422 /nfs/dbraw/zinc/68/04/22/607680422.db2.gz XMMIRVMPFCSLCO-UHFFFAOYSA-N -1 3 378.219 3.743 20 0 GHADHM COc1c(Cl)cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000826167296 607680423 /nfs/dbraw/zinc/68/04/23/607680423.db2.gz XMMIRVMPFCSLCO-UHFFFAOYSA-N -1 3 378.219 3.743 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000826103141 604390986 /nfs/dbraw/zinc/39/09/86/604390986.db2.gz NLTWFYPIUZVZKM-FQEVSTJZSA-N -1 3 380.488 3.864 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CNC(C)(C)CC(=O)[O-])cs1 ZINC000832152839 604440071 /nfs/dbraw/zinc/44/00/71/604440071.db2.gz NFPINXIZRVEXBP-UHFFFAOYSA-N -1 3 399.310 3.924 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000832040391 604458791 /nfs/dbraw/zinc/45/87/91/604458791.db2.gz FKUHWORFZRDTPG-KRWDZBQOSA-N -1 3 383.366 3.980 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826283144 607693590 /nfs/dbraw/zinc/69/35/90/607693590.db2.gz LLAHFUSDGDFGOI-UHFFFAOYSA-N -1 3 393.491 3.726 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826283144 607693592 /nfs/dbraw/zinc/69/35/92/607693592.db2.gz LLAHFUSDGDFGOI-UHFFFAOYSA-N -1 3 393.491 3.726 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(OC)c1 ZINC000829666752 604511489 /nfs/dbraw/zinc/51/14/89/604511489.db2.gz QYFMEVLRZSXXGI-INIZCTEOSA-N -1 3 391.493 3.660 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000826246941 607703301 /nfs/dbraw/zinc/70/33/01/607703301.db2.gz PNKYOXCQEVBFCS-NSHDSACASA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000826246941 607703303 /nfs/dbraw/zinc/70/33/03/607703303.db2.gz PNKYOXCQEVBFCS-NSHDSACASA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000826246545 607708993 /nfs/dbraw/zinc/70/89/93/607708993.db2.gz GMFBBOQGZILQRQ-GOSISDBHSA-N -1 3 389.459 3.742 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000826246545 607708994 /nfs/dbraw/zinc/70/89/94/607708994.db2.gz GMFBBOQGZILQRQ-GOSISDBHSA-N -1 3 389.459 3.742 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000826251342 607711431 /nfs/dbraw/zinc/71/14/31/607711431.db2.gz MLLJVTYEFZOHGN-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000826251342 607711432 /nfs/dbraw/zinc/71/14/32/607711432.db2.gz MLLJVTYEFZOHGN-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824352862 607719136 /nfs/dbraw/zinc/71/91/36/607719136.db2.gz PZWWMBVLUPPLEC-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824352862 607719138 /nfs/dbraw/zinc/71/91/38/607719138.db2.gz PZWWMBVLUPPLEC-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833407874 604931990 /nfs/dbraw/zinc/93/19/90/604931990.db2.gz DHLREISVEQYDGD-TZMCWYRMSA-N -1 3 386.414 3.855 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826271720 607724184 /nfs/dbraw/zinc/72/41/84/607724184.db2.gz DTZCKYCXVIHUTD-AWEZNQCLSA-N -1 3 388.431 3.896 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826271720 607724186 /nfs/dbraw/zinc/72/41/86/607724186.db2.gz DTZCKYCXVIHUTD-AWEZNQCLSA-N -1 3 388.431 3.896 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCS[C@H](c3ccccc3)C2)n1 ZINC000826368099 607728950 /nfs/dbraw/zinc/72/89/50/607728950.db2.gz BVBMJFNHDLZPLT-ZDUSSCGKSA-N -1 3 392.410 3.575 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCS[C@H](c3ccccc3)C2)n1 ZINC000826368099 607728952 /nfs/dbraw/zinc/72/89/52/607728952.db2.gz BVBMJFNHDLZPLT-ZDUSSCGKSA-N -1 3 392.410 3.575 20 0 GHADHM CC(C)Cc1ccc([C@H](N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000833491983 605011585 /nfs/dbraw/zinc/01/15/85/605011585.db2.gz DANCXSVTLSZQFY-KKSFZXQISA-N -1 3 386.536 3.638 20 0 GHADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000825501045 605118069 /nfs/dbraw/zinc/11/80/69/605118069.db2.gz AZTOMZYXEGQUFV-GJZGRUSLSA-N -1 3 383.448 3.823 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824801984 607743463 /nfs/dbraw/zinc/74/34/63/607743463.db2.gz IXWTYXCUUQUTMY-INIZCTEOSA-N -1 3 396.539 3.558 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824801984 607743464 /nfs/dbraw/zinc/74/34/64/607743464.db2.gz IXWTYXCUUQUTMY-INIZCTEOSA-N -1 3 396.539 3.558 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2CC)cc1-c1nnn[n-]1 ZINC000825544502 607757764 /nfs/dbraw/zinc/75/77/64/607757764.db2.gz AIMWJDLKUSNCKE-UHFFFAOYSA-N -1 3 395.423 3.642 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2CC)cc1-c1nn[n-]n1 ZINC000825544502 607757765 /nfs/dbraw/zinc/75/77/65/607757765.db2.gz AIMWJDLKUSNCKE-UHFFFAOYSA-N -1 3 395.423 3.642 20 0 GHADHM CSc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826230211 607769654 /nfs/dbraw/zinc/76/96/54/607769654.db2.gz JQBPMNZQMFPKEG-UHFFFAOYSA-N -1 3 384.446 3.557 20 0 GHADHM CSc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826230211 607769655 /nfs/dbraw/zinc/76/96/55/607769655.db2.gz JQBPMNZQMFPKEG-UHFFFAOYSA-N -1 3 384.446 3.557 20 0 GHADHM CCS[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(C)C ZINC000825669289 607771258 /nfs/dbraw/zinc/77/12/58/607771258.db2.gz UMZHAVPBPUZZMQ-CQSZACIVSA-N -1 3 388.522 3.706 20 0 GHADHM CCS[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(C)C ZINC000825669289 607771259 /nfs/dbraw/zinc/77/12/59/607771259.db2.gz UMZHAVPBPUZZMQ-CQSZACIVSA-N -1 3 388.522 3.706 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825125624 607771845 /nfs/dbraw/zinc/77/18/45/607771845.db2.gz FDGVHTXPUDQEOB-DBTPVHCXSA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825125624 607771846 /nfs/dbraw/zinc/77/18/46/607771846.db2.gz FDGVHTXPUDQEOB-DBTPVHCXSA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825125615 607771881 /nfs/dbraw/zinc/77/18/81/607771881.db2.gz FDGVHTXPUDQEOB-AHKFDXCISA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825125615 607771882 /nfs/dbraw/zinc/77/18/82/607771882.db2.gz FDGVHTXPUDQEOB-AHKFDXCISA-N -1 3 379.489 3.567 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824918318 607771907 /nfs/dbraw/zinc/77/19/07/607771907.db2.gz PLQBZESKUXKVJY-KUHUBIRLSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824918318 607771908 /nfs/dbraw/zinc/77/19/08/607771908.db2.gz PLQBZESKUXKVJY-KUHUBIRLSA-N -1 3 393.516 3.855 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825125621 607772067 /nfs/dbraw/zinc/77/20/67/607772067.db2.gz FDGVHTXPUDQEOB-CJTWTEFWSA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825125621 607772068 /nfs/dbraw/zinc/77/20/68/607772068.db2.gz FDGVHTXPUDQEOB-CJTWTEFWSA-N -1 3 379.489 3.567 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820989479 606052943 /nfs/dbraw/zinc/05/29/43/606052943.db2.gz UIPFIRRHSRCZGL-PXNSSMCTSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820989479 606052947 /nfs/dbraw/zinc/05/29/47/606052947.db2.gz UIPFIRRHSRCZGL-PXNSSMCTSA-N -1 3 390.491 3.592 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821616678 606098325 /nfs/dbraw/zinc/09/83/25/606098325.db2.gz BONUIJZNKCPVIE-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821616678 606098328 /nfs/dbraw/zinc/09/83/28/606098328.db2.gz BONUIJZNKCPVIE-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717859 606110118 /nfs/dbraw/zinc/11/01/18/606110118.db2.gz XWUAVQFNMVYIOH-JLTOFOAXSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717859 606110121 /nfs/dbraw/zinc/11/01/21/606110121.db2.gz XWUAVQFNMVYIOH-JLTOFOAXSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1OC(F)F ZINC000820511918 606135165 /nfs/dbraw/zinc/13/51/65/606135165.db2.gz FKBMLCDWXXLTKM-SECBINFHSA-N -1 3 378.310 3.525 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1OC(F)F ZINC000820511918 606135167 /nfs/dbraw/zinc/13/51/67/606135167.db2.gz FKBMLCDWXXLTKM-SECBINFHSA-N -1 3 378.310 3.525 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000821100124 606136190 /nfs/dbraw/zinc/13/61/90/606136190.db2.gz UJJXZZRILNLWNK-ONEGZZNKSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000821100124 606136191 /nfs/dbraw/zinc/13/61/91/606136191.db2.gz UJJXZZRILNLWNK-ONEGZZNKSA-N -1 3 379.439 3.848 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822946608 606152618 /nfs/dbraw/zinc/15/26/18/606152618.db2.gz YXQFNDUIJQVORC-UPHRSURJSA-N -1 3 389.337 3.649 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822946608 606152619 /nfs/dbraw/zinc/15/26/19/606152619.db2.gz YXQFNDUIJQVORC-UPHRSURJSA-N -1 3 389.337 3.649 20 0 GHADHM Fc1cccc(-c2cnc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)o2)c1 ZINC000822786311 606159789 /nfs/dbraw/zinc/15/97/89/606159789.db2.gz JFHBDMCNQQENET-UHFFFAOYSA-N -1 3 390.422 3.825 20 0 GHADHM Fc1cccc(-c2cnc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)o2)c1 ZINC000822786311 606159791 /nfs/dbraw/zinc/15/97/91/606159791.db2.gz JFHBDMCNQQENET-UHFFFAOYSA-N -1 3 390.422 3.825 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000820379336 606161015 /nfs/dbraw/zinc/16/10/15/606161015.db2.gz ASNYVYDGIDHNDY-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000820379336 606161018 /nfs/dbraw/zinc/16/10/18/606161018.db2.gz ASNYVYDGIDHNDY-ZDUSSCGKSA-N -1 3 390.451 3.680 20 0 GHADHM CO[C@@H](C)c1nc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)cs1 ZINC000821675613 606170788 /nfs/dbraw/zinc/17/07/88/606170788.db2.gz PLBXTQFQUIBMAC-JTQLQIEISA-N -1 3 388.522 3.515 20 0 GHADHM CO[C@@H](C)c1nc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)cs1 ZINC000821675613 606170789 /nfs/dbraw/zinc/17/07/89/606170789.db2.gz PLBXTQFQUIBMAC-JTQLQIEISA-N -1 3 388.522 3.515 20 0 GHADHM O=C([C@H]1C[C@@H]1C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822917192 606231654 /nfs/dbraw/zinc/23/16/54/606231654.db2.gz PNCUUJHBRXLETL-UXHICEINSA-N -1 3 391.450 3.581 20 0 GHADHM O=C([C@H]1C[C@@H]1C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822917192 606231655 /nfs/dbraw/zinc/23/16/55/606231655.db2.gz PNCUUJHBRXLETL-UXHICEINSA-N -1 3 391.450 3.581 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)cc1 ZINC000821427440 606249745 /nfs/dbraw/zinc/24/97/45/606249745.db2.gz SRFXJNAPMVMFRV-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM CCOc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)cc1 ZINC000821427440 606249748 /nfs/dbraw/zinc/24/97/48/606249748.db2.gz SRFXJNAPMVMFRV-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)s2)c(C)c1 ZINC000822214017 606268538 /nfs/dbraw/zinc/26/85/38/606268538.db2.gz LSKJDVAXVCUKGL-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)s2)c(C)c1 ZINC000822214017 606268540 /nfs/dbraw/zinc/26/85/40/606268540.db2.gz LSKJDVAXVCUKGL-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1noc(C)c1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822522988 606268842 /nfs/dbraw/zinc/26/88/42/606268842.db2.gz NIFPIEMVTVNLCZ-UHFFFAOYSA-N -1 3 392.444 3.875 20 0 GHADHM Cc1noc(C)c1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822522988 606268843 /nfs/dbraw/zinc/26/88/43/606268843.db2.gz NIFPIEMVTVNLCZ-UHFFFAOYSA-N -1 3 392.444 3.875 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140562 606272804 /nfs/dbraw/zinc/27/28/04/606272804.db2.gz WSGTYGKRPIHIOT-OAQYLSRUSA-N -1 3 394.438 3.867 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140562 606272806 /nfs/dbraw/zinc/27/28/06/606272806.db2.gz WSGTYGKRPIHIOT-OAQYLSRUSA-N -1 3 394.438 3.867 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(C(C)(C)C)s1 ZINC000821123413 606282132 /nfs/dbraw/zinc/28/21/32/606282132.db2.gz QYKYNPYYISZJQQ-UHFFFAOYSA-N -1 3 385.497 3.695 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641063 606298438 /nfs/dbraw/zinc/29/84/38/606298438.db2.gz VNBUZJUHWOSSQU-VBKZILBWSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641063 606298439 /nfs/dbraw/zinc/29/84/39/606298439.db2.gz VNBUZJUHWOSSQU-VBKZILBWSA-N -1 3 387.443 3.585 20 0 GHADHM Cc1cccc(Cl)c1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822303906 606309983 /nfs/dbraw/zinc/30/99/83/606309983.db2.gz NTPNSBUJDHYOMZ-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cccc(Cl)c1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822303906 606309984 /nfs/dbraw/zinc/30/99/84/606309984.db2.gz NTPNSBUJDHYOMZ-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@H](S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccc(F)cc1 ZINC000820550147 606310682 /nfs/dbraw/zinc/31/06/82/606310682.db2.gz VAVKZZBAVHFCJG-IINYFYTJSA-N -1 3 389.481 3.667 20 0 GHADHM C[C@H](S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccc(F)cc1 ZINC000820550147 606310683 /nfs/dbraw/zinc/31/06/83/606310683.db2.gz VAVKZZBAVHFCJG-IINYFYTJSA-N -1 3 389.481 3.667 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000820335328 606324043 /nfs/dbraw/zinc/32/40/43/606324043.db2.gz WEKVRGXZUWGHRA-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000820335328 606324044 /nfs/dbraw/zinc/32/40/44/606324044.db2.gz WEKVRGXZUWGHRA-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820556572 606328708 /nfs/dbraw/zinc/32/87/08/606328708.db2.gz UMFKENNUZKEECR-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ncccc21 ZINC000820556572 606328709 /nfs/dbraw/zinc/32/87/09/606328709.db2.gz UMFKENNUZKEECR-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821845619 606339788 /nfs/dbraw/zinc/33/97/88/606339788.db2.gz ISSVJCZBVYHPTE-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821845619 606339790 /nfs/dbraw/zinc/33/97/90/606339790.db2.gz ISSVJCZBVYHPTE-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820643762 606342363 /nfs/dbraw/zinc/34/23/63/606342363.db2.gz YXWZTPBIWPVVJX-IUODEOHRSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820643762 606342365 /nfs/dbraw/zinc/34/23/65/606342365.db2.gz YXWZTPBIWPVVJX-IUODEOHRSA-N -1 3 382.855 3.930 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822500923 606355415 /nfs/dbraw/zinc/35/54/15/606355415.db2.gz MKRMTDZPSYEUFM-MRXNPFEDSA-N -1 3 396.495 3.573 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822500923 606355416 /nfs/dbraw/zinc/35/54/16/606355416.db2.gz MKRMTDZPSYEUFM-MRXNPFEDSA-N -1 3 396.495 3.573 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950104 606361945 /nfs/dbraw/zinc/36/19/45/606361945.db2.gz DZXNDALOKGJPOV-INIZCTEOSA-N -1 3 394.431 3.914 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950104 606361947 /nfs/dbraw/zinc/36/19/47/606361947.db2.gz DZXNDALOKGJPOV-INIZCTEOSA-N -1 3 394.431 3.914 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939690 606362514 /nfs/dbraw/zinc/36/25/14/606362514.db2.gz XDRIPIGCIPKXOJ-MLGOLLRUSA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939690 606362516 /nfs/dbraw/zinc/36/25/16/606362516.db2.gz XDRIPIGCIPKXOJ-MLGOLLRUSA-N -1 3 385.855 3.555 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823556966 606379123 /nfs/dbraw/zinc/37/91/23/606379123.db2.gz CJGREUFMLGKHQC-BQYQJAHWSA-N -1 3 397.243 3.553 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823556966 606379125 /nfs/dbraw/zinc/37/91/25/606379125.db2.gz CJGREUFMLGKHQC-BQYQJAHWSA-N -1 3 397.243 3.553 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821477104 606393676 /nfs/dbraw/zinc/39/36/76/606393676.db2.gz YNIXCNYASHBEKT-CQSZACIVSA-N -1 3 378.480 3.725 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821477104 606393678 /nfs/dbraw/zinc/39/36/78/606393678.db2.gz YNIXCNYASHBEKT-CQSZACIVSA-N -1 3 378.480 3.725 20 0 GHADHM CCCN(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821088804 606413988 /nfs/dbraw/zinc/41/39/88/606413988.db2.gz WWKXYISPUXANCA-UHFFFAOYSA-N -1 3 384.871 3.643 20 0 GHADHM CCCN(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821088804 606413990 /nfs/dbraw/zinc/41/39/90/606413990.db2.gz WWKXYISPUXANCA-UHFFFAOYSA-N -1 3 384.871 3.643 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000820494885 606436426 /nfs/dbraw/zinc/43/64/26/606436426.db2.gz CTRHPGOUOJGUCP-CHWSQXEVSA-N -1 3 393.472 3.754 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000820494885 606436428 /nfs/dbraw/zinc/43/64/28/606436428.db2.gz CTRHPGOUOJGUCP-CHWSQXEVSA-N -1 3 393.472 3.754 20 0 GHADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[C@@H]1C ZINC000820717849 606440070 /nfs/dbraw/zinc/44/00/70/606440070.db2.gz XWANUAOMHKXGMC-CHWSQXEVSA-N -1 3 382.493 3.535 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(-n2cccn2)cc1 ZINC000822719047 606454345 /nfs/dbraw/zinc/45/43/45/606454345.db2.gz YBZABGNHVFLKQE-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820562103 606504376 /nfs/dbraw/zinc/50/43/76/606504376.db2.gz DNRMFPZXTUGWGM-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820562103 606504378 /nfs/dbraw/zinc/50/43/78/606504378.db2.gz DNRMFPZXTUGWGM-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccccc2)cs1 ZINC000820390105 606508895 /nfs/dbraw/zinc/50/88/95/606508895.db2.gz FFOXFGGHVPTFKK-JTQLQIEISA-N -1 3 382.474 3.543 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccccc2)cs1 ZINC000820390105 606508897 /nfs/dbraw/zinc/50/88/97/606508897.db2.gz FFOXFGGHVPTFKK-JTQLQIEISA-N -1 3 382.474 3.543 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000821099881 606524838 /nfs/dbraw/zinc/52/48/38/606524838.db2.gz QIJUXTDEILUVQL-FYWRMAATSA-N -1 3 379.439 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000821099881 606524839 /nfs/dbraw/zinc/52/48/39/606524839.db2.gz QIJUXTDEILUVQL-FYWRMAATSA-N -1 3 379.439 3.848 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1(C)CC1 ZINC000820307346 606552278 /nfs/dbraw/zinc/55/22/78/606552278.db2.gz LPWMADCTXUXYAA-CQSZACIVSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1(C)CC1 ZINC000820307346 606552280 /nfs/dbraw/zinc/55/22/80/606552280.db2.gz LPWMADCTXUXYAA-CQSZACIVSA-N -1 3 377.448 3.920 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823087140 606555719 /nfs/dbraw/zinc/55/57/19/606555719.db2.gz HUJPFYUMUANWLD-FQEVSTJZSA-N -1 3 386.459 3.644 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823087140 606555721 /nfs/dbraw/zinc/55/57/21/606555721.db2.gz HUJPFYUMUANWLD-FQEVSTJZSA-N -1 3 386.459 3.644 20 0 GHADHM O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823391628 606569571 /nfs/dbraw/zinc/56/95/71/606569571.db2.gz AFRCTCXSHVAOOB-SFHVURJKSA-N -1 3 390.424 3.709 20 0 GHADHM O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823391628 606569572 /nfs/dbraw/zinc/56/95/72/606569572.db2.gz AFRCTCXSHVAOOB-SFHVURJKSA-N -1 3 390.424 3.709 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1C ZINC000820743099 606577444 /nfs/dbraw/zinc/57/74/44/606577444.db2.gz QHTWNTUPCPUWBP-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000820743099 606577445 /nfs/dbraw/zinc/57/74/45/606577445.db2.gz QHTWNTUPCPUWBP-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820711381 606577924 /nfs/dbraw/zinc/57/79/24/606577924.db2.gz XRIHKAHYKNIIIJ-ZDUSSCGKSA-N -1 3 396.426 3.601 20 0 GHADHM C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820711381 606577926 /nfs/dbraw/zinc/57/79/26/606577926.db2.gz XRIHKAHYKNIIIJ-ZDUSSCGKSA-N -1 3 396.426 3.601 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc(SC(=O)N(C)C)c1 ZINC000821394142 606588886 /nfs/dbraw/zinc/58/88/86/606588886.db2.gz HXZMHGZKXIDEQC-UHFFFAOYSA-N -1 3 399.476 3.618 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc(SC(=O)N(C)C)c1 ZINC000821394142 606588887 /nfs/dbraw/zinc/58/88/87/606588887.db2.gz HXZMHGZKXIDEQC-UHFFFAOYSA-N -1 3 399.476 3.618 20 0 GHADHM Cn1c2ccccc2nc1SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822604993 606589732 /nfs/dbraw/zinc/58/97/32/606589732.db2.gz TZAWVVCTAPDQCY-UHFFFAOYSA-N -1 3 388.403 3.647 20 0 GHADHM Cn1c2ccccc2nc1SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822604993 606589734 /nfs/dbraw/zinc/58/97/34/606589734.db2.gz TZAWVVCTAPDQCY-UHFFFAOYSA-N -1 3 388.403 3.647 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821164495 606591973 /nfs/dbraw/zinc/59/19/73/606591973.db2.gz FCEJIRKBPXRTKX-UHFFFAOYSA-N -1 3 391.262 3.639 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821858842 606602871 /nfs/dbraw/zinc/60/28/71/606602871.db2.gz HEWXLGXOTRKOMF-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821858842 606602872 /nfs/dbraw/zinc/60/28/72/606602872.db2.gz HEWXLGXOTRKOMF-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC(F)(F)C1 ZINC000823357717 606621281 /nfs/dbraw/zinc/62/12/81/606621281.db2.gz ZRXQJMYPLLBUIJ-UHFFFAOYSA-N -1 3 389.337 3.782 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC(F)(F)C1 ZINC000823357717 606621283 /nfs/dbraw/zinc/62/12/83/606621283.db2.gz ZRXQJMYPLLBUIJ-UHFFFAOYSA-N -1 3 389.337 3.782 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148227 606627494 /nfs/dbraw/zinc/62/74/94/606627494.db2.gz MUDHOJNMOIREBP-CVEARBPZSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148227 606627496 /nfs/dbraw/zinc/62/74/96/606627496.db2.gz MUDHOJNMOIREBP-CVEARBPZSA-N -1 3 393.491 3.979 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000820549501 606628663 /nfs/dbraw/zinc/62/86/63/606628663.db2.gz NWNIOZKLYYUKBR-SUNKGSAMSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000820549501 606628664 /nfs/dbraw/zinc/62/86/64/606628664.db2.gz NWNIOZKLYYUKBR-SUNKGSAMSA-N -1 3 379.917 3.696 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823387506 606665001 /nfs/dbraw/zinc/66/50/01/606665001.db2.gz NDSJOOXUYSKGCK-UKRRQHHQSA-N -1 3 379.489 3.624 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823387506 606665002 /nfs/dbraw/zinc/66/50/02/606665002.db2.gz NDSJOOXUYSKGCK-UKRRQHHQSA-N -1 3 379.489 3.624 20 0 GHADHM CC(C)COc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820103259 606674226 /nfs/dbraw/zinc/67/42/26/606674226.db2.gz RLNRTEUOLTUTHX-UHFFFAOYSA-N -1 3 388.374 3.537 20 0 GHADHM CC(C)COc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820103259 606674227 /nfs/dbraw/zinc/67/42/27/606674227.db2.gz RLNRTEUOLTUTHX-UHFFFAOYSA-N -1 3 388.374 3.537 20 0 GHADHM Cc1cccc(C2(CNC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCCC2)c1 ZINC000822299480 606677400 /nfs/dbraw/zinc/67/74/00/606677400.db2.gz KKJQICUEQASRCO-UHFFFAOYSA-N -1 3 397.429 3.695 20 0 GHADHM Cc1cccc(C2(CNC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCCC2)c1 ZINC000822299480 606677401 /nfs/dbraw/zinc/67/74/01/606677401.db2.gz KKJQICUEQASRCO-UHFFFAOYSA-N -1 3 397.429 3.695 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149502 606677831 /nfs/dbraw/zinc/67/78/31/606677831.db2.gz CHIZEGDXLDDEAV-KBXCAEBGSA-N -1 3 397.429 3.676 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149502 606677832 /nfs/dbraw/zinc/67/78/32/606677832.db2.gz CHIZEGDXLDDEAV-KBXCAEBGSA-N -1 3 397.429 3.676 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)c1ccccc1 ZINC000820919290 606681643 /nfs/dbraw/zinc/68/16/43/606681643.db2.gz AXJAAWNHVBJGDI-INIZCTEOSA-N -1 3 385.418 3.631 20 0 GHADHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)c1ccccc1 ZINC000820919290 606681644 /nfs/dbraw/zinc/68/16/44/606681644.db2.gz AXJAAWNHVBJGDI-INIZCTEOSA-N -1 3 385.418 3.631 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820666098 606682403 /nfs/dbraw/zinc/68/24/03/606682403.db2.gz GWRYDGOFDBIYCC-JMSVASOKSA-N -1 3 383.402 3.552 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820666098 606682404 /nfs/dbraw/zinc/68/24/04/606682404.db2.gz GWRYDGOFDBIYCC-JMSVASOKSA-N -1 3 383.402 3.552 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822958865 606683776 /nfs/dbraw/zinc/68/37/76/606683776.db2.gz KMNHVVUQVWTCLO-UHFFFAOYSA-N -1 3 395.463 3.860 20 0 GHADHM O=C(CCCc1csc2ccccc12)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822958865 606683777 /nfs/dbraw/zinc/68/37/77/606683777.db2.gz KMNHVVUQVWTCLO-UHFFFAOYSA-N -1 3 395.463 3.860 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820294550 606684986 /nfs/dbraw/zinc/68/49/86/606684986.db2.gz UNUREBSPARRHOL-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820294550 606684987 /nfs/dbraw/zinc/68/49/87/606684987.db2.gz UNUREBSPARRHOL-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC000820819297 606685774 /nfs/dbraw/zinc/68/57/74/606685774.db2.gz HAUWSWMBHXUTPH-VHSXEESVSA-N -1 3 387.415 3.674 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC000820819297 606685775 /nfs/dbraw/zinc/68/57/75/606685775.db2.gz HAUWSWMBHXUTPH-VHSXEESVSA-N -1 3 387.415 3.674 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820496195 606686196 /nfs/dbraw/zinc/68/61/96/606686196.db2.gz LZPODKPMVUUYAB-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820496195 606686197 /nfs/dbraw/zinc/68/61/97/606686197.db2.gz LZPODKPMVUUYAB-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM CC(C)CC1(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCCC1 ZINC000820062182 606687101 /nfs/dbraw/zinc/68/71/01/606687101.db2.gz IXPPLWKCJPDIJS-UHFFFAOYSA-N -1 3 396.539 3.558 20 0 GHADHM CC(C)CC1(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCCC1 ZINC000820062182 606687102 /nfs/dbraw/zinc/68/71/02/606687102.db2.gz IXPPLWKCJPDIJS-UHFFFAOYSA-N -1 3 396.539 3.558 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1Br ZINC000823488679 606689879 /nfs/dbraw/zinc/68/98/79/606689879.db2.gz RZHBULXVVKYXGL-MRXNPFEDSA-N -1 3 398.264 3.607 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1Br ZINC000823488679 606689880 /nfs/dbraw/zinc/68/98/80/606689880.db2.gz RZHBULXVVKYXGL-MRXNPFEDSA-N -1 3 398.264 3.607 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823092466 606693730 /nfs/dbraw/zinc/69/37/30/606693730.db2.gz FPVBMOIDOBEMLX-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000823092466 606693731 /nfs/dbraw/zinc/69/37/31/606693731.db2.gz FPVBMOIDOBEMLX-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823309270 606696127 /nfs/dbraw/zinc/69/61/27/606696127.db2.gz VTGOUDOKJQVWSA-LJQANCHMSA-N -1 3 388.406 3.917 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823309270 606696128 /nfs/dbraw/zinc/69/61/28/606696128.db2.gz VTGOUDOKJQVWSA-LJQANCHMSA-N -1 3 388.406 3.917 20 0 GHADHM COc1ncccc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821920681 606706816 /nfs/dbraw/zinc/70/68/16/606706816.db2.gz WIVHDIIFCZQMCM-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM COc1ncccc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821920681 606706818 /nfs/dbraw/zinc/70/68/18/606706818.db2.gz WIVHDIIFCZQMCM-UHFFFAOYSA-N -1 3 376.445 3.625 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000819975910 606717186 /nfs/dbraw/zinc/71/71/86/606717186.db2.gz FNNGILLNCLILQC-AWEZNQCLSA-N -1 3 397.458 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000819975910 606717188 /nfs/dbraw/zinc/71/71/88/606717188.db2.gz FNNGILLNCLILQC-AWEZNQCLSA-N -1 3 397.458 3.584 20 0 GHADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823223816 606744623 /nfs/dbraw/zinc/74/46/23/606744623.db2.gz KMJPIBYYIUHZGD-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823223816 606744625 /nfs/dbraw/zinc/74/46/25/606744625.db2.gz KMJPIBYYIUHZGD-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ncc(-c2ccccc2)o1 ZINC000820502391 606754785 /nfs/dbraw/zinc/75/47/85/606754785.db2.gz QKIUNWZJBRYFBG-JTQLQIEISA-N -1 3 397.341 3.718 20 0 GHADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ncc(-c2ccccc2)o1 ZINC000820502391 606754787 /nfs/dbraw/zinc/75/47/87/606754787.db2.gz QKIUNWZJBRYFBG-JTQLQIEISA-N -1 3 397.341 3.718 20 0 GHADHM Cc1noc(C)c1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822146782 606787721 /nfs/dbraw/zinc/78/77/21/606787721.db2.gz ZRSZPOBAGWLHQE-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM Cc1noc(C)c1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822146782 606787723 /nfs/dbraw/zinc/78/77/23/606787723.db2.gz ZRSZPOBAGWLHQE-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)Cc2ccoc2)cc1 ZINC000822136655 606787828 /nfs/dbraw/zinc/78/78/28/606787828.db2.gz NLDKEBDUEWHMBC-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)Cc2ccoc2)cc1 ZINC000822136655 606787830 /nfs/dbraw/zinc/78/78/30/606787830.db2.gz NLDKEBDUEWHMBC-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Fc1ccc2oc(CSc3nc4c(cc3-c3nnn[n-]3)CCCC4)nc2c1 ZINC000822787038 606793373 /nfs/dbraw/zinc/79/33/73/606793373.db2.gz SYZSNNYGVCOBGF-UHFFFAOYSA-N -1 3 382.424 3.713 20 0 GHADHM Fc1ccc2oc(CSc3nc4c(cc3-c3nn[n-]n3)CCCC4)nc2c1 ZINC000822787038 606793375 /nfs/dbraw/zinc/79/33/75/606793375.db2.gz SYZSNNYGVCOBGF-UHFFFAOYSA-N -1 3 382.424 3.713 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822230447 606797797 /nfs/dbraw/zinc/79/77/97/606797797.db2.gz GUZKXIKOJPIDGT-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822230447 606797799 /nfs/dbraw/zinc/79/77/99/606797799.db2.gz GUZKXIKOJPIDGT-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)C1 ZINC000820989497 606798115 /nfs/dbraw/zinc/79/81/15/606798115.db2.gz UNRXBHPYDCRFDI-OAHLLOKOSA-N -1 3 377.448 3.840 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)C1 ZINC000820989497 606798117 /nfs/dbraw/zinc/79/81/17/606798117.db2.gz UNRXBHPYDCRFDI-OAHLLOKOSA-N -1 3 377.448 3.840 20 0 GHADHM CCOc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1OC(F)F ZINC000821431600 606799140 /nfs/dbraw/zinc/79/91/40/606799140.db2.gz XERMJXDXHLYETH-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CCOc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1OC(F)F ZINC000821431600 606799142 /nfs/dbraw/zinc/79/91/42/606799142.db2.gz XERMJXDXHLYETH-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822230790 606806465 /nfs/dbraw/zinc/80/64/65/606806465.db2.gz QKFFOIDOVTVELN-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822230790 606806466 /nfs/dbraw/zinc/80/64/66/606806466.db2.gz QKFFOIDOVTVELN-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM C[C@H](SCCOc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000820549038 606828103 /nfs/dbraw/zinc/82/81/03/606828103.db2.gz JIDJIHHYGFCELK-ZDUSSCGKSA-N -1 3 394.460 3.790 20 0 GHADHM C[C@H](SCCOc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000820549038 606828104 /nfs/dbraw/zinc/82/81/04/606828104.db2.gz JIDJIHHYGFCELK-ZDUSSCGKSA-N -1 3 394.460 3.790 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000823257163 606829092 /nfs/dbraw/zinc/82/90/92/606829092.db2.gz CKWOROYYLYCHMZ-UHFFFAOYSA-N -1 3 394.454 3.660 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000823257163 606829093 /nfs/dbraw/zinc/82/90/93/606829093.db2.gz CKWOROYYLYCHMZ-UHFFFAOYSA-N -1 3 394.454 3.660 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)on1 ZINC000822200801 606830508 /nfs/dbraw/zinc/83/05/08/606830508.db2.gz BMNFAIQZEFNHMS-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)on1 ZINC000822200801 606830510 /nfs/dbraw/zinc/83/05/10/606830510.db2.gz BMNFAIQZEFNHMS-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM Fc1ccc(-c2nnc(SCCCOc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822753603 606864529 /nfs/dbraw/zinc/86/45/29/606864529.db2.gz PBNJZAKGUHCLAC-UHFFFAOYSA-N -1 3 398.423 3.617 20 0 GHADHM Fc1ccc(-c2nnc(SCCCOc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822753603 606864530 /nfs/dbraw/zinc/86/45/30/606864530.db2.gz PBNJZAKGUHCLAC-UHFFFAOYSA-N -1 3 398.423 3.617 20 0 GHADHM C[C@@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356922 606870733 /nfs/dbraw/zinc/87/07/33/606870733.db2.gz CMDNSIUYTHHDCW-MRXNPFEDSA-N -1 3 390.491 3.640 20 0 GHADHM C[C@@H](NC(=O)NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356922 606870734 /nfs/dbraw/zinc/87/07/34/606870734.db2.gz CMDNSIUYTHHDCW-MRXNPFEDSA-N -1 3 390.491 3.640 20 0 GHADHM CCC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821020517 606933245 /nfs/dbraw/zinc/93/32/45/606933245.db2.gz CQGJQIZTQKNFKP-HNNXBMFYSA-N -1 3 388.447 3.973 20 0 GHADHM CCC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821020517 606933247 /nfs/dbraw/zinc/93/32/47/606933247.db2.gz CQGJQIZTQKNFKP-HNNXBMFYSA-N -1 3 388.447 3.973 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821081897 606936281 /nfs/dbraw/zinc/93/62/81/606936281.db2.gz DNHCTQLAIWMXHL-UHFFFAOYSA-N -1 3 387.447 3.783 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821081897 606936282 /nfs/dbraw/zinc/93/62/82/606936282.db2.gz DNHCTQLAIWMXHL-UHFFFAOYSA-N -1 3 387.447 3.783 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238462 606947828 /nfs/dbraw/zinc/94/78/28/606947828.db2.gz IRTWBRREPMZQJV-CQSZACIVSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238462 606947829 /nfs/dbraw/zinc/94/78/29/606947829.db2.gz IRTWBRREPMZQJV-CQSZACIVSA-N -1 3 385.855 3.608 20 0 GHADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820949715 606953375 /nfs/dbraw/zinc/95/33/75/606953375.db2.gz DSHPGEAVGAXXFU-HXUWFJFHSA-N -1 3 393.451 3.708 20 0 GHADHM CC[C@]1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820949715 606953376 /nfs/dbraw/zinc/95/33/76/606953376.db2.gz DSHPGEAVGAXXFU-HXUWFJFHSA-N -1 3 393.451 3.708 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)c(Cl)c1 ZINC000823366939 606956771 /nfs/dbraw/zinc/95/67/71/606956771.db2.gz APTVJTHNACRXFM-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)c(Cl)c1 ZINC000823366939 606956773 /nfs/dbraw/zinc/95/67/73/606956773.db2.gz APTVJTHNACRXFM-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822213831 606961847 /nfs/dbraw/zinc/96/18/47/606961847.db2.gz CKBBWSBKUZQYFT-OAHLLOKOSA-N -1 3 389.463 3.727 20 0 GHADHM Cc1ccc(Cl)c(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822240255 606963305 /nfs/dbraw/zinc/96/33/05/606963305.db2.gz ZLYZQXSSEQZIBK-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM Cc1ccc(Cl)c(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822240255 606963306 /nfs/dbraw/zinc/96/33/06/606963306.db2.gz ZLYZQXSSEQZIBK-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574735 606964696 /nfs/dbraw/zinc/96/46/96/606964696.db2.gz UZRJUDFKXISFQA-UHFFFAOYSA-N -1 3 385.855 3.974 20 0 GHADHM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574735 606964698 /nfs/dbraw/zinc/96/46/98/606964698.db2.gz UZRJUDFKXISFQA-UHFFFAOYSA-N -1 3 385.855 3.974 20 0 GHADHM CC(C)C(=O)Nc1cccc(F)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820012320 606974832 /nfs/dbraw/zinc/97/48/32/606974832.db2.gz ZDYHXQLHPGOFTD-GFCCVEGCSA-N -1 3 397.410 3.518 20 0 GHADHM CC(C)C(=O)Nc1cccc(F)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820012320 606974834 /nfs/dbraw/zinc/97/48/34/606974834.db2.gz ZDYHXQLHPGOFTD-GFCCVEGCSA-N -1 3 397.410 3.518 20 0 GHADHM CCC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000821020592 606981818 /nfs/dbraw/zinc/98/18/18/606981818.db2.gz FWCXDYYXDXNCJZ-GOSISDBHSA-N -1 3 385.418 3.735 20 0 GHADHM CCC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000821020592 606981820 /nfs/dbraw/zinc/98/18/20/606981820.db2.gz FWCXDYYXDXNCJZ-GOSISDBHSA-N -1 3 385.418 3.735 20 0 GHADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)sc2nccc(C)c12 ZINC000822378527 606993903 /nfs/dbraw/zinc/99/39/03/606993903.db2.gz BBWMKLPYPNZMMP-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)sc2nccc(C)c12 ZINC000822378527 606993905 /nfs/dbraw/zinc/99/39/05/606993905.db2.gz BBWMKLPYPNZMMP-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM CC=C(C=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)CC ZINC000820832055 606995216 /nfs/dbraw/zinc/99/52/16/606995216.db2.gz GZIQYBXAGKHTIA-DEQWBKJKSA-N -1 3 376.420 3.905 20 0 GHADHM CC=C(C=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)CC ZINC000820832055 606995218 /nfs/dbraw/zinc/99/52/18/606995218.db2.gz GZIQYBXAGKHTIA-DEQWBKJKSA-N -1 3 376.420 3.905 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822974647 606997486 /nfs/dbraw/zinc/99/74/86/606997486.db2.gz WTXAUKYJKMRPKB-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822974647 606997487 /nfs/dbraw/zinc/99/74/87/606997487.db2.gz WTXAUKYJKMRPKB-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Oc1cccnc1 ZINC000823426382 606998039 /nfs/dbraw/zinc/99/80/39/606998039.db2.gz GHSPAZRBDQEQDH-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Oc1cccnc1 ZINC000823426382 606998040 /nfs/dbraw/zinc/99/80/40/606998040.db2.gz GHSPAZRBDQEQDH-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000820557444 607013349 /nfs/dbraw/zinc/01/33/49/607013349.db2.gz ZIMFQQGLGAIIFF-JTQLQIEISA-N -1 3 376.388 3.832 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000820557444 607013351 /nfs/dbraw/zinc/01/33/51/607013351.db2.gz ZIMFQQGLGAIIFF-JTQLQIEISA-N -1 3 376.388 3.832 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480380 607016983 /nfs/dbraw/zinc/01/69/83/607016983.db2.gz BSSFSBDJLPZHTE-KBPBESRZSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480380 607016984 /nfs/dbraw/zinc/01/69/84/607016984.db2.gz BSSFSBDJLPZHTE-KBPBESRZSA-N -1 3 381.505 3.787 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccccc2c1C ZINC000821122938 607043010 /nfs/dbraw/zinc/04/30/10/607043010.db2.gz COEAYRMJCFAHFP-UHFFFAOYSA-N -1 3 387.447 3.798 20 0 GHADHM Cc1c2c(sc1NC(=O)C(C)(C)Oc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822059272 607044844 /nfs/dbraw/zinc/04/48/44/607044844.db2.gz AKSUYEATGYNDLB-UHFFFAOYSA-N -1 3 397.504 3.912 20 0 GHADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1OC ZINC000820925126 607056189 /nfs/dbraw/zinc/05/61/89/607056189.db2.gz DSERTMNPAAKKSS-MRXNPFEDSA-N -1 3 375.835 3.909 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1c(C)cccc1C ZINC000821105216 607063533 /nfs/dbraw/zinc/06/35/33/607063533.db2.gz ZBSXOPGBAPTECT-UHFFFAOYSA-N -1 3 392.507 3.648 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1c(C)cccc1C ZINC000821105216 607063536 /nfs/dbraw/zinc/06/35/36/607063536.db2.gz ZBSXOPGBAPTECT-UHFFFAOYSA-N -1 3 392.507 3.648 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823078944 607071128 /nfs/dbraw/zinc/07/11/28/607071128.db2.gz YGCQQXUSROQGIS-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823078944 607071129 /nfs/dbraw/zinc/07/11/29/607071129.db2.gz YGCQQXUSROQGIS-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974712 607079557 /nfs/dbraw/zinc/07/95/57/607079557.db2.gz ZUPRZEUBXIEKIQ-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974712 607079559 /nfs/dbraw/zinc/07/95/59/607079559.db2.gz ZUPRZEUBXIEKIQ-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OC[C@H]2CCCOC2)cc1 ZINC000822143354 607081464 /nfs/dbraw/zinc/08/14/64/607081464.db2.gz BRIZNSDIKNXVSM-HNNXBMFYSA-N -1 3 394.431 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OC[C@H]2CCCOC2)cc1 ZINC000822143354 607081466 /nfs/dbraw/zinc/08/14/66/607081466.db2.gz BRIZNSDIKNXVSM-HNNXBMFYSA-N -1 3 394.431 3.551 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820819255 607087494 /nfs/dbraw/zinc/08/74/94/607087494.db2.gz GTRITHMFWFQZPP-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820819255 607087495 /nfs/dbraw/zinc/08/74/95/607087495.db2.gz GTRITHMFWFQZPP-MRVPVSSYSA-N -1 3 394.287 3.995 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccccc1F ZINC000821305074 607099788 /nfs/dbraw/zinc/09/97/88/607099788.db2.gz WIGPFKWQBQURQD-UHFFFAOYSA-N -1 3 386.456 3.559 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000821308819 607099947 /nfs/dbraw/zinc/09/99/47/607099947.db2.gz FQGXMIMRTWWARK-UHFFFAOYSA-N -1 3 391.460 3.674 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@H]1CC12CCC2 ZINC000823350287 607125932 /nfs/dbraw/zinc/12/59/32/607125932.db2.gz HNAHERHUCOLVEJ-MRXNPFEDSA-N -1 3 393.422 3.714 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@H]1CC12CCC2 ZINC000823350287 607125934 /nfs/dbraw/zinc/12/59/34/607125934.db2.gz HNAHERHUCOLVEJ-MRXNPFEDSA-N -1 3 393.422 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823308520 607142105 /nfs/dbraw/zinc/14/21/05/607142105.db2.gz CWMCJORWKXWOFF-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823308520 607142106 /nfs/dbraw/zinc/14/21/06/607142106.db2.gz CWMCJORWKXWOFF-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820548744 607189747 /nfs/dbraw/zinc/18/97/47/607189747.db2.gz GJXRWBBMXFAMKU-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820548744 607189748 /nfs/dbraw/zinc/18/97/48/607189748.db2.gz GJXRWBBMXFAMKU-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1-c1ccccc1 ZINC000822596671 607190908 /nfs/dbraw/zinc/19/09/08/607190908.db2.gz PTQOREHODWJZJD-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1-c1ccccc1 ZINC000822596671 607190909 /nfs/dbraw/zinc/19/09/09/607190909.db2.gz PTQOREHODWJZJD-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000823303615 607195162 /nfs/dbraw/zinc/19/51/62/607195162.db2.gz ORXOJTWXURAOKU-SECBINFHSA-N -1 3 390.316 3.585 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000823303615 607195163 /nfs/dbraw/zinc/19/51/63/607195163.db2.gz ORXOJTWXURAOKU-SECBINFHSA-N -1 3 390.316 3.585 20 0 GHADHM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820177839 607195658 /nfs/dbraw/zinc/19/56/58/607195658.db2.gz BJLHDFBAZCIELZ-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820177839 607195659 /nfs/dbraw/zinc/19/56/59/607195659.db2.gz BJLHDFBAZCIELZ-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM O=C(NCc1cc2c(s1)CCCC2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823246174 607196151 /nfs/dbraw/zinc/19/61/51/607196151.db2.gz FJTMIPZWMBNRDF-UHFFFAOYSA-N -1 3 388.884 3.782 20 0 GHADHM O=C(NCc1cc2c(s1)CCCC2)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823246174 607196152 /nfs/dbraw/zinc/19/61/52/607196152.db2.gz FJTMIPZWMBNRDF-UHFFFAOYSA-N -1 3 388.884 3.782 20 0 GHADHM CC[C@@](C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(C)cs1 ZINC000820853617 607199214 /nfs/dbraw/zinc/19/92/14/607199214.db2.gz NOZJOFXKXAJKHA-MRXNPFEDSA-N -1 3 391.888 3.732 20 0 GHADHM CC[C@@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C)cs1 ZINC000820853617 607199215 /nfs/dbraw/zinc/19/92/15/607199215.db2.gz NOZJOFXKXAJKHA-MRXNPFEDSA-N -1 3 391.888 3.732 20 0 GHADHM CCO[C@H](CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000821351087 607200974 /nfs/dbraw/zinc/20/09/74/607200974.db2.gz KNKROCKSRCTTEF-MRXNPFEDSA-N -1 3 392.891 3.627 20 0 GHADHM CCO[C@H](CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000821351087 607200975 /nfs/dbraw/zinc/20/09/75/607200975.db2.gz KNKROCKSRCTTEF-MRXNPFEDSA-N -1 3 392.891 3.627 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(F)cc1C(F)(F)F ZINC000823331880 607207005 /nfs/dbraw/zinc/20/70/05/607207005.db2.gz IDIILTWYANMCRO-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000823331880 607207006 /nfs/dbraw/zinc/20/70/06/607207006.db2.gz IDIILTWYANMCRO-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1N1CCc2[nH]c3ccccc3c2C1 ZINC000822723878 607227095 /nfs/dbraw/zinc/22/70/95/607227095.db2.gz RTUUDKJLQSNVFF-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1N1CCc2[nH]c3ccccc3c2C1 ZINC000822723878 607227096 /nfs/dbraw/zinc/22/70/96/607227096.db2.gz RTUUDKJLQSNVFF-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(-n2cccn2)cc1 ZINC000822723622 607227695 /nfs/dbraw/zinc/22/76/95/607227695.db2.gz IHXNGJGYSLZFRC-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(-n2cccn2)cc1 ZINC000822723622 607227696 /nfs/dbraw/zinc/22/76/96/607227696.db2.gz IHXNGJGYSLZFRC-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822418908 607235724 /nfs/dbraw/zinc/23/57/24/607235724.db2.gz JCPBJLRNMSWYDH-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822418908 607235725 /nfs/dbraw/zinc/23/57/25/607235725.db2.gz JCPBJLRNMSWYDH-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1sc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(-c2nnn[n-]2)c1C ZINC000822418621 607235930 /nfs/dbraw/zinc/23/59/30/607235930.db2.gz AHAHZJSSYGUBKY-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM Cc1sc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(-c2nn[n-]n2)c1C ZINC000822418621 607235931 /nfs/dbraw/zinc/23/59/31/607235931.db2.gz AHAHZJSSYGUBKY-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823070955 607245633 /nfs/dbraw/zinc/24/56/33/607245633.db2.gz UYMQLQFGMMOEGU-UHFFFAOYSA-N -1 3 398.341 3.722 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823070955 607245634 /nfs/dbraw/zinc/24/56/34/607245634.db2.gz UYMQLQFGMMOEGU-UHFFFAOYSA-N -1 3 398.341 3.722 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)s1 ZINC000819883716 607249335 /nfs/dbraw/zinc/24/93/35/607249335.db2.gz LDWXHANUWKDLPT-SSDOTTSWSA-N -1 3 397.229 3.539 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)s1 ZINC000819883716 607249336 /nfs/dbraw/zinc/24/93/36/607249336.db2.gz LDWXHANUWKDLPT-SSDOTTSWSA-N -1 3 397.229 3.539 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C2SCCS2)cc1 ZINC000823451105 607251080 /nfs/dbraw/zinc/25/10/80/607251080.db2.gz VDWWCQFLYHLACI-UHFFFAOYSA-N -1 3 388.449 3.704 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C2SCCS2)cc1 ZINC000823451105 607251081 /nfs/dbraw/zinc/25/10/81/607251081.db2.gz VDWWCQFLYHLACI-UHFFFAOYSA-N -1 3 388.449 3.704 20 0 GHADHM Cc1c(NC(=O)c2ccc(Cl)c(Br)c2)cccc1-c1nnn[n-]1 ZINC000826242583 607795029 /nfs/dbraw/zinc/79/50/29/607795029.db2.gz VOERIILRPVHZSW-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2ccc(Cl)c(Br)c2)cccc1-c1nn[n-]n1 ZINC000826242583 607795030 /nfs/dbraw/zinc/79/50/30/607795030.db2.gz VOERIILRPVHZSW-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385879 607797684 /nfs/dbraw/zinc/79/76/84/607797684.db2.gz URNRDZOHOGHSOF-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385879 607797685 /nfs/dbraw/zinc/79/76/85/607797685.db2.gz URNRDZOHOGHSOF-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCSC(C)(C)C ZINC000825318328 607816337 /nfs/dbraw/zinc/81/63/37/607816337.db2.gz LRHWLAXFWYFZKB-UHFFFAOYSA-N -1 3 375.542 3.917 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCSC(C)(C)C ZINC000825318328 607816338 /nfs/dbraw/zinc/81/63/38/607816338.db2.gz LRHWLAXFWYFZKB-UHFFFAOYSA-N -1 3 375.542 3.917 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CSc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000826265272 607816956 /nfs/dbraw/zinc/81/69/56/607816956.db2.gz SFMAVUUYPDJTDL-UHFFFAOYSA-N -1 3 394.460 3.738 20 0 GHADHM Cc1cc(C)cc(OCc2noc(CSc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000826265272 607816957 /nfs/dbraw/zinc/81/69/57/607816957.db2.gz SFMAVUUYPDJTDL-UHFFFAOYSA-N -1 3 394.460 3.738 20 0 GHADHM COc1cc(Cl)c(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826179810 607819468 /nfs/dbraw/zinc/81/94/68/607819468.db2.gz FREMYRVDZKRXRX-UHFFFAOYSA-N -1 3 382.226 3.611 20 0 GHADHM COc1cc(Cl)c(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826179810 607819469 /nfs/dbraw/zinc/81/94/69/607819469.db2.gz FREMYRVDZKRXRX-UHFFFAOYSA-N -1 3 382.226 3.611 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(c4ccccn4)CC3)c2c1 ZINC000826352523 607820508 /nfs/dbraw/zinc/82/05/08/607820508.db2.gz DYROOZNKLXPZPT-UHFFFAOYSA-N -1 3 391.866 3.847 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(c4ccccn4)CC3)c2c1 ZINC000826352523 607820509 /nfs/dbraw/zinc/82/05/09/607820509.db2.gz DYROOZNKLXPZPT-UHFFFAOYSA-N -1 3 391.866 3.847 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826245470 607823582 /nfs/dbraw/zinc/82/35/82/607823582.db2.gz ZBCMBEGQSSKEGA-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826245470 607823583 /nfs/dbraw/zinc/82/35/83/607823583.db2.gz ZBCMBEGQSSKEGA-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824716629 607830374 /nfs/dbraw/zinc/83/03/74/607830374.db2.gz ZGWRXQCSPBWYMO-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000824716629 607830375 /nfs/dbraw/zinc/83/03/75/607830375.db2.gz ZGWRXQCSPBWYMO-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)s1 ZINC000824141944 607833726 /nfs/dbraw/zinc/83/37/26/607833726.db2.gz OZJSRVQVHBWZMK-UHFFFAOYSA-N -1 3 398.279 3.575 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826332280 607838947 /nfs/dbraw/zinc/83/89/47/607838947.db2.gz PEPIRXJDBVUTEK-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826332280 607838948 /nfs/dbraw/zinc/83/89/48/607838948.db2.gz PEPIRXJDBVUTEK-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826242724 607873987 /nfs/dbraw/zinc/87/39/87/607873987.db2.gz CECSTGIZLWCQMI-HNNXBMFYSA-N -1 3 378.354 3.615 20 0 GHADHM CCN(C(=O)CCCc1cccs1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371024 607878009 /nfs/dbraw/zinc/87/80/09/607878009.db2.gz AUANHECMRNDZNJ-UHFFFAOYSA-N -1 3 375.885 3.957 20 0 GHADHM CCN(C(=O)CCCc1cccs1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371024 607878010 /nfs/dbraw/zinc/87/80/10/607878010.db2.gz AUANHECMRNDZNJ-UHFFFAOYSA-N -1 3 375.885 3.957 20 0 GHADHM CCN(C(=O)Cn1ccc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375936 607878860 /nfs/dbraw/zinc/87/88/60/607878860.db2.gz AFRPPZCEZXCXHJ-UHFFFAOYSA-N -1 3 380.839 3.528 20 0 GHADHM CCN(C(=O)Cn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375936 607878861 /nfs/dbraw/zinc/87/88/61/607878861.db2.gz AFRPPZCEZXCXHJ-UHFFFAOYSA-N -1 3 380.839 3.528 20 0 GHADHM CC(C)Oc1cccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000824332888 607903632 /nfs/dbraw/zinc/90/36/32/607903632.db2.gz AGEDBYWANBUQTQ-UHFFFAOYSA-N -1 3 392.385 3.704 20 0 GHADHM CC(C)Oc1cccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000824332888 607903633 /nfs/dbraw/zinc/90/36/33/607903633.db2.gz AGEDBYWANBUQTQ-UHFFFAOYSA-N -1 3 392.385 3.704 20 0 GHADHM Fc1ccc(CNc2nnc(SCc3ccccc3-c3nnn[n-]3)s2)cc1 ZINC000826374657 607914026 /nfs/dbraw/zinc/91/40/26/607914026.db2.gz HZBGDBBMKDCXJY-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(CNc2nnc(SCc3ccccc3-c3nn[n-]n3)s2)cc1 ZINC000826374657 607914027 /nfs/dbraw/zinc/91/40/27/607914027.db2.gz HZBGDBBMKDCXJY-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM CCc1c(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825687576 607923458 /nfs/dbraw/zinc/92/34/58/607923458.db2.gz JKTZQNRSAAGERF-UHFFFAOYSA-N -1 3 395.511 3.584 20 0 GHADHM CCc1c(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825687576 607923459 /nfs/dbraw/zinc/92/34/59/607923459.db2.gz JKTZQNRSAAGERF-UHFFFAOYSA-N -1 3 395.511 3.584 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)cc1 ZINC000826284741 607946316 /nfs/dbraw/zinc/94/63/16/607946316.db2.gz DBKAVCARVDPVKI-PKOBYXMFSA-N -1 3 378.432 3.561 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)cc1 ZINC000826284741 607946317 /nfs/dbraw/zinc/94/63/17/607946317.db2.gz DBKAVCARVDPVKI-PKOBYXMFSA-N -1 3 378.432 3.561 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826283435 607948275 /nfs/dbraw/zinc/94/82/75/607948275.db2.gz QSURDJQDWWVFFD-UHFFFAOYSA-N -1 3 391.475 3.657 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826283435 607948276 /nfs/dbraw/zinc/94/82/76/607948276.db2.gz QSURDJQDWWVFFD-UHFFFAOYSA-N -1 3 391.475 3.657 20 0 GHADHM CCCCCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825276263 607952392 /nfs/dbraw/zinc/95/23/92/607952392.db2.gz UCKBYYCAKUTWKL-UHFFFAOYSA-N -1 3 377.448 3.639 20 0 GHADHM CCCCCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825276263 607952393 /nfs/dbraw/zinc/95/23/93/607952393.db2.gz UCKBYYCAKUTWKL-UHFFFAOYSA-N -1 3 377.448 3.639 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccncc1 ZINC000824723559 607959232 /nfs/dbraw/zinc/95/92/32/607959232.db2.gz SAQDWNYVAPFEIP-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000824723559 607959233 /nfs/dbraw/zinc/95/92/33/607959233.db2.gz SAQDWNYVAPFEIP-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Br)c(C)c2)s1 ZINC000825693739 607962443 /nfs/dbraw/zinc/96/24/43/607962443.db2.gz CEXVYULIQKGCKT-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Br)c(C)c2)s1 ZINC000825693739 607962444 /nfs/dbraw/zinc/96/24/44/607962444.db2.gz CEXVYULIQKGCKT-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM C[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824477826 607986386 /nfs/dbraw/zinc/98/63/86/607986386.db2.gz CILIMCCIZASQSA-ZDUSSCGKSA-N -1 3 394.866 3.742 20 0 GHADHM C[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824477826 607986387 /nfs/dbraw/zinc/98/63/87/607986387.db2.gz CILIMCCIZASQSA-ZDUSSCGKSA-N -1 3 394.866 3.742 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823944114 607995238 /nfs/dbraw/zinc/99/52/38/607995238.db2.gz XUOOVSTYBRXOIR-RAXLEYEMSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823944114 607995239 /nfs/dbraw/zinc/99/52/39/607995239.db2.gz XUOOVSTYBRXOIR-RAXLEYEMSA-N -1 3 379.851 3.729 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCCC23CCCCC3)cc1-c1nnn[n-]1 ZINC000824329368 608007452 /nfs/dbraw/zinc/00/74/52/608007452.db2.gz NOJGDAMIWCYSIB-UHFFFAOYSA-N -1 3 384.484 3.985 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCCC23CCCCC3)cc1-c1nn[n-]n1 ZINC000824329368 608007453 /nfs/dbraw/zinc/00/74/53/608007453.db2.gz NOJGDAMIWCYSIB-UHFFFAOYSA-N -1 3 384.484 3.985 20 0 GHADHM Cn1c2ccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)cc2nc1C(C)(C)C ZINC000826354967 608018568 /nfs/dbraw/zinc/01/85/68/608018568.db2.gz DJXPNMVYHCJNRR-UHFFFAOYSA-N -1 3 399.462 3.738 20 0 GHADHM Cn1c2ccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)cc2nc1C(C)(C)C ZINC000826354967 608018569 /nfs/dbraw/zinc/01/85/69/608018569.db2.gz DJXPNMVYHCJNRR-UHFFFAOYSA-N -1 3 399.462 3.738 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824506682 608031183 /nfs/dbraw/zinc/03/11/83/608031183.db2.gz PUWUUXMXVULLQF-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824506682 608031184 /nfs/dbraw/zinc/03/11/84/608031184.db2.gz PUWUUXMXVULLQF-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM Cc1c(NC(=O)Nc2cnn(CC(C)C)c2C(F)F)cccc1-c1nnn[n-]1 ZINC000826242564 608032200 /nfs/dbraw/zinc/03/22/00/608032200.db2.gz UTFYWVVBTBMSMA-UHFFFAOYSA-N -1 3 390.398 3.609 20 0 GHADHM Cc1c(NC(=O)Nc2cnn(CC(C)C)c2C(F)F)cccc1-c1nn[n-]n1 ZINC000826242564 608032201 /nfs/dbraw/zinc/03/22/01/608032201.db2.gz UTFYWVVBTBMSMA-UHFFFAOYSA-N -1 3 390.398 3.609 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)c1sc2ccccc2c1C ZINC000826174593 608032895 /nfs/dbraw/zinc/03/28/95/608032895.db2.gz CHNFXHXRRFBKDA-UHFFFAOYSA-N -1 3 380.429 3.660 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)c1sc2ccccc2c1C ZINC000826174593 608032896 /nfs/dbraw/zinc/03/28/96/608032896.db2.gz CHNFXHXRRFBKDA-UHFFFAOYSA-N -1 3 380.429 3.660 20 0 GHADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCCC[C@H]1CCc1ccccc1 ZINC000826475283 608041669 /nfs/dbraw/zinc/04/16/69/608041669.db2.gz BBXAYXIVJBCDIX-INIZCTEOSA-N -1 3 396.882 3.543 20 0 GHADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@H]1CCc1ccccc1 ZINC000826475283 608041670 /nfs/dbraw/zinc/04/16/70/608041670.db2.gz BBXAYXIVJBCDIX-INIZCTEOSA-N -1 3 396.882 3.543 20 0 GHADHM CCc1nc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2Br)cs1 ZINC000825746206 608050266 /nfs/dbraw/zinc/05/02/66/608050266.db2.gz SVITUHCUFZBBSD-QMMMGPOBSA-N -1 3 379.287 3.821 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824874345 608057983 /nfs/dbraw/zinc/05/79/83/608057983.db2.gz CGGDFAOFNMKGJP-PBHICJAKSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824874345 608057984 /nfs/dbraw/zinc/05/79/84/608057984.db2.gz CGGDFAOFNMKGJP-PBHICJAKSA-N -1 3 390.443 3.582 20 0 GHADHM O=C(OCCCC(F)(F)F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826463174 608075955 /nfs/dbraw/zinc/07/59/55/608075955.db2.gz VFQSURLTSKYHTK-UHFFFAOYSA-N -1 3 393.325 3.553 20 0 GHADHM O=C(OCCCC(F)(F)F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826463174 608075956 /nfs/dbraw/zinc/07/59/56/608075956.db2.gz VFQSURLTSKYHTK-UHFFFAOYSA-N -1 3 393.325 3.553 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1C1CC1 ZINC000825082034 608106491 /nfs/dbraw/zinc/10/64/91/608106491.db2.gz PDTCMDYHSTZNII-GFCCVEGCSA-N -1 3 380.456 3.864 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1C1CC1 ZINC000825082034 608106492 /nfs/dbraw/zinc/10/64/92/608106492.db2.gz PDTCMDYHSTZNII-GFCCVEGCSA-N -1 3 380.456 3.864 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498208 608113146 /nfs/dbraw/zinc/11/31/46/608113146.db2.gz DQWXGWJKDDKPGV-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498208 608113147 /nfs/dbraw/zinc/11/31/47/608113147.db2.gz DQWXGWJKDDKPGV-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000826278666 608120689 /nfs/dbraw/zinc/12/06/89/608120689.db2.gz NOSVITAKTBGWJT-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000826278666 608120690 /nfs/dbraw/zinc/12/06/90/608120690.db2.gz NOSVITAKTBGWJT-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Clc1ccc(NCc2nccn2CCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826353041 608123931 /nfs/dbraw/zinc/12/39/31/608123931.db2.gz YQJJAFGSKSVEQL-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM Clc1ccc(NCc2nccn2CCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826353041 608123932 /nfs/dbraw/zinc/12/39/32/608123932.db2.gz YQJJAFGSKSVEQL-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826470288 608130704 /nfs/dbraw/zinc/13/07/04/608130704.db2.gz LDIIVTLEQFUOSM-LLVKDONJSA-N -1 3 393.394 3.577 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826470288 608130705 /nfs/dbraw/zinc/13/07/05/608130705.db2.gz LDIIVTLEQFUOSM-LLVKDONJSA-N -1 3 393.394 3.577 20 0 GHADHM O=C(COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000826416257 608145074 /nfs/dbraw/zinc/14/50/74/608145074.db2.gz PRWMHPWRCZKRND-UHFFFAOYSA-N -1 3 398.422 3.502 20 0 GHADHM O=C(COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000826416257 608145075 /nfs/dbraw/zinc/14/50/75/608145075.db2.gz PRWMHPWRCZKRND-UHFFFAOYSA-N -1 3 398.422 3.502 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1=O ZINC000824866481 608152662 /nfs/dbraw/zinc/15/26/62/608152662.db2.gz LWFRDMBDJXFMTQ-DZGCQCFKSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1=O ZINC000824866481 608152663 /nfs/dbraw/zinc/15/26/63/608152663.db2.gz LWFRDMBDJXFMTQ-DZGCQCFKSA-N -1 3 391.431 3.603 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000826368285 608153793 /nfs/dbraw/zinc/15/37/93/608153793.db2.gz JZZBBOMHGZJRGO-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000826368285 608153794 /nfs/dbraw/zinc/15/37/94/608153794.db2.gz JZZBBOMHGZJRGO-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297663 608162167 /nfs/dbraw/zinc/16/21/67/608162167.db2.gz OHUKKLZZUGABJV-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297663 608162168 /nfs/dbraw/zinc/16/21/68/608162168.db2.gz OHUKKLZZUGABJV-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)c(F)cc1Cl ZINC000825792823 608177379 /nfs/dbraw/zinc/17/73/79/608177379.db2.gz FAZXNDLQVKWDLW-UHFFFAOYSA-N -1 3 399.817 3.590 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)c(F)cc1Cl ZINC000825792823 608177380 /nfs/dbraw/zinc/17/73/80/608177380.db2.gz FAZXNDLQVKWDLW-UHFFFAOYSA-N -1 3 399.817 3.590 20 0 GHADHM C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722464 608183569 /nfs/dbraw/zinc/18/35/69/608183569.db2.gz IXUSSSUPVCCGKH-CYBMUJFWSA-N -1 3 379.445 3.696 20 0 GHADHM C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722464 608183571 /nfs/dbraw/zinc/18/35/71/608183571.db2.gz IXUSSSUPVCCGKH-CYBMUJFWSA-N -1 3 379.445 3.696 20 0 GHADHM Brc1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000823826411 608223007 /nfs/dbraw/zinc/22/30/07/608223007.db2.gz IBOGFWXGOZXINU-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000823826411 608223008 /nfs/dbraw/zinc/22/30/08/608223008.db2.gz IBOGFWXGOZXINU-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM CC(C)(CO)[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000824162893 608233131 /nfs/dbraw/zinc/23/31/31/608233131.db2.gz SWULJTHYDIEIFG-SFHVURJKSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000824162893 608233132 /nfs/dbraw/zinc/23/31/32/608233132.db2.gz SWULJTHYDIEIFG-SFHVURJKSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000824324980 608236139 /nfs/dbraw/zinc/23/61/39/608236139.db2.gz XMMXNMZWZKVLJP-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000824324980 608236140 /nfs/dbraw/zinc/23/61/40/608236140.db2.gz XMMXNMZWZKVLJP-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CSc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)ccc1F ZINC000826230313 608265109 /nfs/dbraw/zinc/26/51/09/608265109.db2.gz NJRDRZFSHUKZKY-UHFFFAOYSA-N -1 3 375.454 3.530 20 0 GHADHM CSc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)ccc1F ZINC000826230313 608265110 /nfs/dbraw/zinc/26/51/10/608265110.db2.gz NJRDRZFSHUKZKY-UHFFFAOYSA-N -1 3 375.454 3.530 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824929180 608266211 /nfs/dbraw/zinc/26/62/11/608266211.db2.gz WXCSKRCYJFQPJX-XLIONFOSSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824929180 608266214 /nfs/dbraw/zinc/26/62/14/608266214.db2.gz WXCSKRCYJFQPJX-XLIONFOSSA-N -1 3 399.539 3.981 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000826278143 608273049 /nfs/dbraw/zinc/27/30/49/608273049.db2.gz SASLIZKNGJIKAY-UHFFFAOYSA-N -1 3 382.472 3.795 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000826278143 608273051 /nfs/dbraw/zinc/27/30/51/608273051.db2.gz SASLIZKNGJIKAY-UHFFFAOYSA-N -1 3 382.472 3.795 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1OC ZINC000826178280 608274122 /nfs/dbraw/zinc/27/41/22/608274122.db2.gz QUAIGWBFPFXAMX-CYBMUJFWSA-N -1 3 394.479 3.639 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1OC ZINC000826178280 608274124 /nfs/dbraw/zinc/27/41/24/608274124.db2.gz QUAIGWBFPFXAMX-CYBMUJFWSA-N -1 3 394.479 3.639 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826520608 608279474 /nfs/dbraw/zinc/27/94/74/608279474.db2.gz NYLGZJPLIZGUMQ-YLJYHZDGSA-N -1 3 390.491 3.720 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826520608 608279475 /nfs/dbraw/zinc/27/94/75/608279475.db2.gz NYLGZJPLIZGUMQ-YLJYHZDGSA-N -1 3 390.491 3.720 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825733365 608289719 /nfs/dbraw/zinc/28/97/19/608289719.db2.gz DLPACSBDZFRBAS-SNVBAGLBSA-N -1 3 387.900 3.525 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825733365 608289721 /nfs/dbraw/zinc/28/97/21/608289721.db2.gz DLPACSBDZFRBAS-SNVBAGLBSA-N -1 3 387.900 3.525 20 0 GHADHM COCc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826164625 608305442 /nfs/dbraw/zinc/30/54/42/608305442.db2.gz JDSNVIPHQMCGGZ-UHFFFAOYSA-N -1 3 399.454 3.610 20 0 GHADHM COCc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826164625 608305444 /nfs/dbraw/zinc/30/54/44/608305444.db2.gz JDSNVIPHQMCGGZ-UHFFFAOYSA-N -1 3 399.454 3.610 20 0 GHADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825829233 608309276 /nfs/dbraw/zinc/30/92/76/608309276.db2.gz ALIIIVCKQREUKD-HNNXBMFYSA-N -1 3 397.866 3.691 20 0 GHADHM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825829233 608309278 /nfs/dbraw/zinc/30/92/78/608309278.db2.gz ALIIIVCKQREUKD-HNNXBMFYSA-N -1 3 397.866 3.691 20 0 GHADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824520709 608312273 /nfs/dbraw/zinc/31/22/73/608312273.db2.gz BVWDWDMJFNLGKF-NWDGAFQWSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824520709 608312275 /nfs/dbraw/zinc/31/22/75/608312275.db2.gz BVWDWDMJFNLGKF-NWDGAFQWSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC[C@@H]1C ZINC000824955313 608312859 /nfs/dbraw/zinc/31/28/59/608312859.db2.gz OCBUJHHCDIGXBB-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1c(F)cc(Br)cc1F ZINC000826169904 608319873 /nfs/dbraw/zinc/31/98/73/608319873.db2.gz JHYQRKIOBJGWPD-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1c(F)cc(Br)cc1F ZINC000826169904 608319876 /nfs/dbraw/zinc/31/98/76/608319876.db2.gz JHYQRKIOBJGWPD-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367113 608344658 /nfs/dbraw/zinc/34/46/58/608344658.db2.gz JDEXIYDTKIOYAW-RHSMWYFYSA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367113 608344659 /nfs/dbraw/zinc/34/46/59/608344659.db2.gz JDEXIYDTKIOYAW-RHSMWYFYSA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380873 608345538 /nfs/dbraw/zinc/34/55/38/608345538.db2.gz WJMDMXYOHCHLEE-UHFFFAOYSA-N -1 3 399.735 3.743 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380873 608345539 /nfs/dbraw/zinc/34/55/39/608345539.db2.gz WJMDMXYOHCHLEE-UHFFFAOYSA-N -1 3 399.735 3.743 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000826454176 608428444 /nfs/dbraw/zinc/42/84/44/608428444.db2.gz MGKHYEGBCBVHDM-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000826454176 608428445 /nfs/dbraw/zinc/42/84/45/608428445.db2.gz MGKHYEGBCBVHDM-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1csc(-c2ccccc2F)n1 ZINC000826466932 608446091 /nfs/dbraw/zinc/44/60/91/608446091.db2.gz ZOCMNRSYXMUHEY-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1csc(-c2ccccc2F)n1 ZINC000826466932 608446093 /nfs/dbraw/zinc/44/60/93/608446093.db2.gz ZOCMNRSYXMUHEY-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824119614 608454297 /nfs/dbraw/zinc/45/42/97/608454297.db2.gz MAOLEJQYSWJECS-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000824119614 608454299 /nfs/dbraw/zinc/45/42/99/608454299.db2.gz MAOLEJQYSWJECS-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000825620788 608469045 /nfs/dbraw/zinc/46/90/45/608469045.db2.gz HYPABBCYLJEILO-AWEZNQCLSA-N -1 3 390.447 3.771 20 0 GHADHM Fc1ccc([C@H](CC(F)(F)F)NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826373378 608471391 /nfs/dbraw/zinc/47/13/91/608471391.db2.gz JZYAGOGINALUHM-AWEZNQCLSA-N -1 3 383.324 3.928 20 0 GHADHM Fc1ccc([C@H](CC(F)(F)F)NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826373378 608471392 /nfs/dbraw/zinc/47/13/92/608471392.db2.gz JZYAGOGINALUHM-AWEZNQCLSA-N -1 3 383.324 3.928 20 0 GHADHM Cc1cc2cc(NC(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2[nH]1 ZINC000826272953 608472650 /nfs/dbraw/zinc/47/26/50/608472650.db2.gz IPGMOSAWAPFROI-UHFFFAOYSA-N -1 3 399.458 3.978 20 0 GHADHM Cc1cc2cc(NC(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)ccc2[nH]1 ZINC000826272953 608472652 /nfs/dbraw/zinc/47/26/52/608472652.db2.gz IPGMOSAWAPFROI-UHFFFAOYSA-N -1 3 399.458 3.978 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(SC)c1C ZINC000825627352 608477571 /nfs/dbraw/zinc/47/75/71/608477571.db2.gz XRCVXINDBJDJBO-UHFFFAOYSA-N -1 3 384.465 3.940 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(SC)c1C ZINC000825627352 608477572 /nfs/dbraw/zinc/47/75/72/608477572.db2.gz XRCVXINDBJDJBO-UHFFFAOYSA-N -1 3 384.465 3.940 20 0 GHADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000824385402 608481432 /nfs/dbraw/zinc/48/14/32/608481432.db2.gz SCCRKURGZZDCHF-HNNXBMFYSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000824385402 608481434 /nfs/dbraw/zinc/48/14/34/608481434.db2.gz SCCRKURGZZDCHF-HNNXBMFYSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@]1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCc2ccccc21 ZINC000824778880 608481492 /nfs/dbraw/zinc/48/14/92/608481492.db2.gz QZSOCOQIWCHLRJ-DEOSSOPVSA-N -1 3 399.498 3.777 20 0 GHADHM C[C@]1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCc2ccccc21 ZINC000824778880 608481494 /nfs/dbraw/zinc/48/14/94/608481494.db2.gz QZSOCOQIWCHLRJ-DEOSSOPVSA-N -1 3 399.498 3.777 20 0 GHADHM Cc1cc2[nH]c(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2c(C)c1 ZINC000826263888 608481821 /nfs/dbraw/zinc/48/18/21/608481821.db2.gz URCSAJNAWAEYSL-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Cc1cc2[nH]c(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cc2c(C)c1 ZINC000826263888 608481823 /nfs/dbraw/zinc/48/18/23/608481823.db2.gz URCSAJNAWAEYSL-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM O=C(CCc1ccc(Cl)s1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826408856 608482078 /nfs/dbraw/zinc/48/20/78/608482078.db2.gz XXYQGTIUTXTWQJ-UHFFFAOYSA-N -1 3 399.907 3.830 20 0 GHADHM O=C(CCc1ccc(Cl)s1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826408856 608482079 /nfs/dbraw/zinc/48/20/79/608482079.db2.gz XXYQGTIUTXTWQJ-UHFFFAOYSA-N -1 3 399.907 3.830 20 0 GHADHM C[C@H](NCc1csc(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626468 608490733 /nfs/dbraw/zinc/49/07/33/608490733.db2.gz OQCCZMKDAGGCIA-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM Cc1ccccc1[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000826306258 608520276 /nfs/dbraw/zinc/52/02/76/608520276.db2.gz USXVBXLZXATYFU-IBGZPJMESA-N -1 3 389.463 3.712 20 0 GHADHM c1ccc([C@@H](CC2CC2)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826520943 608528890 /nfs/dbraw/zinc/52/88/90/608528890.db2.gz VUDFZIAHWAZMQQ-GOSISDBHSA-N -1 3 387.447 3.548 20 0 GHADHM c1ccc([C@@H](CC2CC2)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826520943 608528891 /nfs/dbraw/zinc/52/88/91/608528891.db2.gz VUDFZIAHWAZMQQ-GOSISDBHSA-N -1 3 387.447 3.548 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCC1=O ZINC000824867726 608539109 /nfs/dbraw/zinc/53/91/09/608539109.db2.gz QWHZCBAQEBATHP-AAEUAGOBSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCC1=O ZINC000824867726 608539110 /nfs/dbraw/zinc/53/91/10/608539110.db2.gz QWHZCBAQEBATHP-AAEUAGOBSA-N -1 3 381.461 3.539 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826288678 608542966 /nfs/dbraw/zinc/54/29/66/608542966.db2.gz RLYHKNWNEFOKEX-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826288678 608542968 /nfs/dbraw/zinc/54/29/68/608542968.db2.gz RLYHKNWNEFOKEX-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000826280458 608544266 /nfs/dbraw/zinc/54/42/66/608544266.db2.gz CFWQKLNTWLTDCJ-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM CCN(Cc1c(Cl)nc2ccccn21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428418 608550223 /nfs/dbraw/zinc/55/02/23/608550223.db2.gz MJKWLAPENLEGGJ-ZDUSSCGKSA-N -1 3 381.871 3.751 20 0 GHADHM CCN(Cc1nc2ccc(Cl)cc2n1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825445219 608551293 /nfs/dbraw/zinc/55/12/93/608551293.db2.gz XPGYDJIDFOZPOJ-ZDUSSCGKSA-N -1 3 395.898 3.990 20 0 GHADHM CC(C)n1cc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cn1 ZINC000824371417 608564424 /nfs/dbraw/zinc/56/44/24/608564424.db2.gz FFJKYYBXLZGRKB-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM CC(C)n1cc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)cn1 ZINC000824371417 608564426 /nfs/dbraw/zinc/56/44/26/608564426.db2.gz FFJKYYBXLZGRKB-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824378026 608574498 /nfs/dbraw/zinc/57/44/98/608574498.db2.gz WNBWBWFKQLSZKU-CYBMUJFWSA-N -1 3 381.867 3.961 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824378026 608574499 /nfs/dbraw/zinc/57/44/99/608574499.db2.gz WNBWBWFKQLSZKU-CYBMUJFWSA-N -1 3 381.867 3.961 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3cc(-c4nnn[n-]4)cs3)n2)c1 ZINC000826295315 608716903 /nfs/dbraw/zinc/71/69/03/608716903.db2.gz BWRBTLNHOCVODL-SFHVURJKSA-N -1 3 391.504 3.964 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3cc(-c4nn[n-]n4)cs3)n2)c1 ZINC000826295315 608716905 /nfs/dbraw/zinc/71/69/05/608716905.db2.gz BWRBTLNHOCVODL-SFHVURJKSA-N -1 3 391.504 3.964 20 0 GHADHM FC(F)(F)[C@@H]1CC(Nc2cnccc2-c2nnn[n-]2)C[C@@H](C(F)(F)F)C1 ZINC000826367129 608772644 /nfs/dbraw/zinc/77/26/44/608772644.db2.gz NCJNXIMDJDFHIR-YUMQZZPRSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)[C@@H]1CC(Nc2cnccc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)C1 ZINC000826367129 608772648 /nfs/dbraw/zinc/77/26/48/608772648.db2.gz NCJNXIMDJDFHIR-YUMQZZPRSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1cnccc1-c1nnn[n-]1 ZINC000826368077 608796654 /nfs/dbraw/zinc/79/66/54/608796654.db2.gz AUXSMONZSFYSSS-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1cnccc1-c1nn[n-]n1 ZINC000826368077 608796657 /nfs/dbraw/zinc/79/66/57/608796657.db2.gz AUXSMONZSFYSSS-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM CSc1ccccc1CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826230713 609163225 /nfs/dbraw/zinc/16/32/25/609163225.db2.gz GSQCTZDCITXPKV-UHFFFAOYSA-N -1 3 381.505 3.820 20 0 GHADHM CSc1ccccc1CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826230713 609163227 /nfs/dbraw/zinc/16/32/27/609163227.db2.gz GSQCTZDCITXPKV-UHFFFAOYSA-N -1 3 381.505 3.820 20 0 GHADHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478185 609178244 /nfs/dbraw/zinc/17/82/44/609178244.db2.gz WGJLDQPVEYSNQH-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478185 609178245 /nfs/dbraw/zinc/17/82/45/609178245.db2.gz WGJLDQPVEYSNQH-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C)n(-c2ccccc2Cl)n1 ZINC000826184291 609180772 /nfs/dbraw/zinc/18/07/72/609180772.db2.gz ROPMMAJINGZSLB-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C)n(-c2ccccc2Cl)n1 ZINC000826184291 609180774 /nfs/dbraw/zinc/18/07/74/609180774.db2.gz ROPMMAJINGZSLB-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000824347961 609189125 /nfs/dbraw/zinc/18/91/25/609189125.db2.gz UXPPVJGPWLBYHB-VQTJNVASSA-N -1 3 393.491 3.537 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000824347961 609189126 /nfs/dbraw/zinc/18/91/26/609189126.db2.gz UXPPVJGPWLBYHB-VQTJNVASSA-N -1 3 393.491 3.537 20 0 GHADHM O=C(N[C@H](CCCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826426844 609191020 /nfs/dbraw/zinc/19/10/20/609191020.db2.gz XPJBZHHQULTPKR-LJQANCHMSA-N -1 3 386.459 3.689 20 0 GHADHM O=C(N[C@H](CCCc1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826426844 609191021 /nfs/dbraw/zinc/19/10/21/609191021.db2.gz XPJBZHHQULTPKR-LJQANCHMSA-N -1 3 386.459 3.689 20 0 GHADHM COCCOc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC000826162884 609237193 /nfs/dbraw/zinc/23/71/93/609237193.db2.gz WSTQWVVXFNEBOQ-HXUWFJFHSA-N -1 3 379.464 3.690 20 0 GHADHM COCCOc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC000826162884 609237195 /nfs/dbraw/zinc/23/71/95/609237195.db2.gz WSTQWVVXFNEBOQ-HXUWFJFHSA-N -1 3 379.464 3.690 20 0 GHADHM C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655071 609247143 /nfs/dbraw/zinc/24/71/43/609247143.db2.gz BENFQZOFROGDCT-MRXNPFEDSA-N -1 3 390.491 3.595 20 0 GHADHM C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655071 609247145 /nfs/dbraw/zinc/24/71/45/609247145.db2.gz BENFQZOFROGDCT-MRXNPFEDSA-N -1 3 390.491 3.595 20 0 GHADHM C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663301 609247253 /nfs/dbraw/zinc/24/72/53/609247253.db2.gz XWUJQBWZVBQXNF-HNNXBMFYSA-N -1 3 376.464 3.552 20 0 GHADHM C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663301 609247254 /nfs/dbraw/zinc/24/72/54/609247254.db2.gz XWUJQBWZVBQXNF-HNNXBMFYSA-N -1 3 376.464 3.552 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000826473310 609291162 /nfs/dbraw/zinc/29/11/62/609291162.db2.gz SJXPUFKPDUJDRH-MRXNPFEDSA-N -1 3 381.867 3.758 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000826473310 609291164 /nfs/dbraw/zinc/29/11/64/609291164.db2.gz SJXPUFKPDUJDRH-MRXNPFEDSA-N -1 3 381.867 3.758 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824459096 609291814 /nfs/dbraw/zinc/29/18/14/609291814.db2.gz ZZYIIUMJXJHDPM-LLVKDONJSA-N -1 3 390.274 3.877 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824459096 609291816 /nfs/dbraw/zinc/29/18/16/609291816.db2.gz ZZYIIUMJXJHDPM-LLVKDONJSA-N -1 3 390.274 3.877 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826306686 609300350 /nfs/dbraw/zinc/30/03/50/609300350.db2.gz HYFRWNIPEMDCFP-DZGCQCFKSA-N -1 3 381.867 3.847 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826306686 609300352 /nfs/dbraw/zinc/30/03/52/609300352.db2.gz HYFRWNIPEMDCFP-DZGCQCFKSA-N -1 3 381.867 3.847 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825074624 609307441 /nfs/dbraw/zinc/30/74/41/609307441.db2.gz IKTUHKNVAMENTB-NSHDSACASA-N -1 3 382.493 3.762 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825074624 609307444 /nfs/dbraw/zinc/30/74/44/609307444.db2.gz IKTUHKNVAMENTB-NSHDSACASA-N -1 3 382.493 3.762 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000825108601 609322309 /nfs/dbraw/zinc/32/23/09/609322309.db2.gz XRIYDJJJPNBMIU-YPMHNXCESA-N -1 3 384.406 3.676 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000825108601 609322311 /nfs/dbraw/zinc/32/23/11/609322311.db2.gz XRIYDJJJPNBMIU-YPMHNXCESA-N -1 3 384.406 3.676 20 0 GHADHM COc1cccc2[nH]cc(CCNc3nc4ccccc4cc3-c3nnn[n-]3)c21 ZINC000826217920 609324749 /nfs/dbraw/zinc/32/47/49/609324749.db2.gz IDSIJUOMIAWCSK-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM COc1cccc2[nH]cc(CCNc3nc4ccccc4cc3-c3nn[n-]n3)c21 ZINC000826217920 609324750 /nfs/dbraw/zinc/32/47/50/609324750.db2.gz IDSIJUOMIAWCSK-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536932 609328458 /nfs/dbraw/zinc/32/84/58/609328458.db2.gz ALMZJADLIIXMDK-KPZWWZAWSA-N -1 3 379.443 3.930 20 0 GHADHM CC(C)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536932 609328460 /nfs/dbraw/zinc/32/84/60/609328460.db2.gz ALMZJADLIIXMDK-KPZWWZAWSA-N -1 3 379.443 3.930 20 0 GHADHM C[C@@H](NCc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626114 609332037 /nfs/dbraw/zinc/33/20/37/609332037.db2.gz LYGLQIBDRZIPEL-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM C[C@@H](NCc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626114 609332039 /nfs/dbraw/zinc/33/20/39/609332039.db2.gz LYGLQIBDRZIPEL-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825120001 609335427 /nfs/dbraw/zinc/33/54/27/609335427.db2.gz HJTVJDVVTBWLLA-AWEZNQCLSA-N -1 3 397.504 3.873 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825120001 609335429 /nfs/dbraw/zinc/33/54/29/609335429.db2.gz HJTVJDVVTBWLLA-AWEZNQCLSA-N -1 3 397.504 3.873 20 0 GHADHM COc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826210480 609337025 /nfs/dbraw/zinc/33/70/25/609337025.db2.gz TWEFNMMDUIMEFS-UHFFFAOYSA-N -1 3 395.854 3.541 20 0 GHADHM COc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826210480 609337027 /nfs/dbraw/zinc/33/70/27/609337027.db2.gz TWEFNMMDUIMEFS-UHFFFAOYSA-N -1 3 395.854 3.541 20 0 GHADHM Fc1cccc([C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826376749 609365196 /nfs/dbraw/zinc/36/51/96/609365196.db2.gz QLPHXSLWUJWKCY-INIZCTEOSA-N -1 3 388.244 3.715 20 0 GHADHM Fc1cccc([C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826376749 609365199 /nfs/dbraw/zinc/36/51/99/609365199.db2.gz QLPHXSLWUJWKCY-INIZCTEOSA-N -1 3 388.244 3.715 20 0 GHADHM Fc1cccc([C@H]2CCN2Cc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826376750 609365322 /nfs/dbraw/zinc/36/53/22/609365322.db2.gz QLPHXSLWUJWKCY-MRXNPFEDSA-N -1 3 388.244 3.715 20 0 GHADHM Fc1cccc([C@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826376750 609365325 /nfs/dbraw/zinc/36/53/25/609365325.db2.gz QLPHXSLWUJWKCY-MRXNPFEDSA-N -1 3 388.244 3.715 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825181164 609370407 /nfs/dbraw/zinc/37/04/07/609370407.db2.gz CGADLNYYVQYZTQ-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825181164 609370409 /nfs/dbraw/zinc/37/04/09/609370409.db2.gz CGADLNYYVQYZTQ-CHWSQXEVSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499431 609378416 /nfs/dbraw/zinc/37/84/16/609378416.db2.gz PELPODRKCFICGE-ZWNOBZJWSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499431 609378419 /nfs/dbraw/zinc/37/84/19/609378419.db2.gz PELPODRKCFICGE-ZWNOBZJWSA-N -1 3 384.406 3.594 20 0 GHADHM CCCc1ccc(-c2nc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)sc2C)cc1 ZINC000825348497 609418136 /nfs/dbraw/zinc/41/81/36/609418136.db2.gz NKBTUWNVGOYBSM-UHFFFAOYSA-N -1 3 393.476 3.832 20 0 GHADHM CCCc1ccc(-c2nc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)sc2C)cc1 ZINC000825348497 609418137 /nfs/dbraw/zinc/41/81/37/609418137.db2.gz NKBTUWNVGOYBSM-UHFFFAOYSA-N -1 3 393.476 3.832 20 0 GHADHM Cc1nc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)s1 ZINC000826322948 609427827 /nfs/dbraw/zinc/42/78/27/609427827.db2.gz IQGOCOUPNADPHW-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)s1 ZINC000826322948 609427828 /nfs/dbraw/zinc/42/78/28/609427828.db2.gz IQGOCOUPNADPHW-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM COCc1cc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)ncn1 ZINC000826164254 609437130 /nfs/dbraw/zinc/43/71/30/609437130.db2.gz MCLAJZYYFPQOGE-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM CC(C)c1sc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1-c1ccccc1 ZINC000824371338 609443119 /nfs/dbraw/zinc/44/31/19/609443119.db2.gz AQNWUYJZVPQMHC-UHFFFAOYSA-N -1 3 379.449 3.694 20 0 GHADHM CC(C)c1sc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1-c1ccccc1 ZINC000824371338 609443121 /nfs/dbraw/zinc/44/31/21/609443121.db2.gz AQNWUYJZVPQMHC-UHFFFAOYSA-N -1 3 379.449 3.694 20 0 GHADHM C[C@@H](NC(=S)NC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824522118 609443492 /nfs/dbraw/zinc/44/34/92/609443492.db2.gz QIVQNNUSHPRVAR-CYBMUJFWSA-N -1 3 380.521 3.857 20 0 GHADHM C[C@@H](NC(=S)NC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522118 609443494 /nfs/dbraw/zinc/44/34/94/609443494.db2.gz QIVQNNUSHPRVAR-CYBMUJFWSA-N -1 3 380.521 3.857 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1csc2ccccc12 ZINC000826420566 609459531 /nfs/dbraw/zinc/45/95/31/609459531.db2.gz RUZMMNFWAIRQTA-UHFFFAOYSA-N -1 3 381.486 3.953 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1csc2ccccc12 ZINC000826420566 609459533 /nfs/dbraw/zinc/45/95/33/609459533.db2.gz RUZMMNFWAIRQTA-UHFFFAOYSA-N -1 3 381.486 3.953 20 0 GHADHM Clc1cc(NCC2CCOCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826351055 609484468 /nfs/dbraw/zinc/48/44/68/609484468.db2.gz VWALHESPTIVZQD-UHFFFAOYSA-N -1 3 399.882 3.938 20 0 GHADHM Clc1cc(NCC2CCOCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826351055 609484471 /nfs/dbraw/zinc/48/44/71/609484471.db2.gz VWALHESPTIVZQD-UHFFFAOYSA-N -1 3 399.882 3.938 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2cccs2)cc1-c1nnn[n-]1 ZINC000824329558 609492097 /nfs/dbraw/zinc/49/20/97/609492097.db2.gz QWQPNEOYWONJLU-UHFFFAOYSA-N -1 3 381.465 3.718 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2cccs2)cc1-c1nn[n-]n1 ZINC000824329558 609492099 /nfs/dbraw/zinc/49/20/99/609492099.db2.gz QWQPNEOYWONJLU-UHFFFAOYSA-N -1 3 381.465 3.718 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826511975 609511194 /nfs/dbraw/zinc/51/11/94/609511194.db2.gz KTSKHOZYTJPENO-BFFYNSAMSA-N -1 3 376.489 3.741 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826511975 609511195 /nfs/dbraw/zinc/51/11/95/609511195.db2.gz KTSKHOZYTJPENO-BFFYNSAMSA-N -1 3 376.489 3.741 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccc(C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367540 609523737 /nfs/dbraw/zinc/52/37/37/609523737.db2.gz SEGXJEGMUOEYAS-CQSZACIVSA-N -1 3 385.418 3.877 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccc(C)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367540 609523738 /nfs/dbraw/zinc/52/37/38/609523738.db2.gz SEGXJEGMUOEYAS-CQSZACIVSA-N -1 3 385.418 3.877 20 0 GHADHM C[C@@H]1CC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C[C@@H](C)C1 ZINC000824874288 609529439 /nfs/dbraw/zinc/52/94/39/609529439.db2.gz BTQQPZDFVUUWPG-STQMWFEESA-N -1 3 395.429 3.830 20 0 GHADHM C[C@@H]1CC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C[C@@H](C)C1 ZINC000824874288 609529443 /nfs/dbraw/zinc/52/94/43/609529443.db2.gz BTQQPZDFVUUWPG-STQMWFEESA-N -1 3 395.429 3.830 20 0 GHADHM C[C@H]1C[C@@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824866542 609561822 /nfs/dbraw/zinc/56/18/22/609561822.db2.gz MIAYUEGDYNIPKM-DOTOQJQBSA-N -1 3 397.523 3.699 20 0 GHADHM C[C@H]1C[C@@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824866542 609561824 /nfs/dbraw/zinc/56/18/24/609561824.db2.gz MIAYUEGDYNIPKM-DOTOQJQBSA-N -1 3 397.523 3.699 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(-n3cccn3)cc2)c1-c1nnn[n-]1 ZINC000826239075 609567084 /nfs/dbraw/zinc/56/70/84/609567084.db2.gz XKZMZZQWMRFSNJ-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826239075 609567087 /nfs/dbraw/zinc/56/70/87/609567087.db2.gz XKZMZZQWMRFSNJ-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cccc1-c1nnn[n-]1 ZINC000826242517 609579454 /nfs/dbraw/zinc/57/94/54/609579454.db2.gz SFEHHUAGSQJAOJ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cccc1-c1nn[n-]n1 ZINC000826242517 609579456 /nfs/dbraw/zinc/57/94/56/609579456.db2.gz SFEHHUAGSQJAOJ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM COCC[C@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826154410 609588417 /nfs/dbraw/zinc/58/84/17/609588417.db2.gz OWAVGJTUNXZKFF-GFCCVEGCSA-N -1 3 381.358 3.538 20 0 GHADHM COCC[C@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826154410 609588420 /nfs/dbraw/zinc/58/84/20/609588420.db2.gz OWAVGJTUNXZKFF-GFCCVEGCSA-N -1 3 381.358 3.538 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264282 609602908 /nfs/dbraw/zinc/60/29/08/609602908.db2.gz IJMKHAWUQSSTNW-QFBILLFUSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264282 609602911 /nfs/dbraw/zinc/60/29/11/609602911.db2.gz IJMKHAWUQSSTNW-QFBILLFUSA-N -1 3 390.491 3.744 20 0 GHADHM CC(C)Cc1nc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000824280043 609618188 /nfs/dbraw/zinc/61/81/88/609618188.db2.gz BTWJLVQCODPEFM-UHFFFAOYSA-N -1 3 377.857 3.532 20 0 GHADHM CC(C)Cc1nc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000824280043 609618190 /nfs/dbraw/zinc/61/81/90/609618190.db2.gz BTWJLVQCODPEFM-UHFFFAOYSA-N -1 3 377.857 3.532 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000683475074 837388259 /nfs/dbraw/zinc/38/82/59/837388259.db2.gz KNMRAMIBSINCNH-UHFFFAOYSA-N -1 3 396.287 3.841 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)n1C1CCOCC1 ZINC000613248340 837458739 /nfs/dbraw/zinc/45/87/39/837458739.db2.gz GDKYPLROOADLRZ-UHFFFAOYSA-N -1 3 378.476 3.829 20 0 GHADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(-c3ncc(C(C)C)o3)cc2)CC1 ZINC000414372037 837459458 /nfs/dbraw/zinc/45/94/58/837459458.db2.gz JKNIHUNUALCJCK-UHFFFAOYSA-N -1 3 392.477 3.693 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)[n-]1 ZINC000617872758 837590191 /nfs/dbraw/zinc/59/01/91/837590191.db2.gz YIBCBRLIHSWGPA-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c[n-]1 ZINC000617872758 837590199 /nfs/dbraw/zinc/59/01/99/837590199.db2.gz YIBCBRLIHSWGPA-UHFFFAOYSA-N -1 3 390.852 3.545 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173329058 837686424 /nfs/dbraw/zinc/68/64/24/837686424.db2.gz TXEWFOVEPFAKHQ-PXAZEXFGSA-N -1 3 381.432 3.731 20 0 GHADHM Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cccc(Cl)c1[O-] ZINC001125704711 834561731 /nfs/dbraw/zinc/56/17/31/834561731.db2.gz RGLKUDCUHLFSOT-UHFFFAOYSA-N -1 3 391.876 3.762 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)c(Br)s2)s1 ZINC000186737828 834567438 /nfs/dbraw/zinc/56/74/38/834567438.db2.gz PMZOPKVATYAJQZ-QMMMGPOBSA-N -1 3 395.369 3.666 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128256922 834642469 /nfs/dbraw/zinc/64/24/69/834642469.db2.gz ACHUFVAYTBOPRX-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000128257166 834643676 /nfs/dbraw/zinc/64/36/76/834643676.db2.gz ACHUFVAYTBOPRX-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@H](c4ccncc4)C3)nc2)n1 ZINC000584451131 834652250 /nfs/dbraw/zinc/65/22/50/834652250.db2.gz LVEYNJANTSZSDB-MSOLQXFVSA-N -1 3 377.448 3.534 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000547631322 834672602 /nfs/dbraw/zinc/67/26/02/834672602.db2.gz PKANSWXJAPPHPM-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000728591019 834688276 /nfs/dbraw/zinc/68/82/76/834688276.db2.gz NRDYTLUNOZDFLK-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM CCc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)c1[O-] ZINC000094106215 834724737 /nfs/dbraw/zinc/72/47/37/834724737.db2.gz QKJUWDLCFBRSFY-GOSISDBHSA-N -1 3 384.501 3.725 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@@](O)(C(F)(F)F)CC2)c1C ZINC000583633674 834778548 /nfs/dbraw/zinc/77/85/48/834778548.db2.gz QZAMZBJBWRBXMH-SFHVURJKSA-N -1 3 382.382 3.834 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000177177671 837807349 /nfs/dbraw/zinc/80/73/49/837807349.db2.gz SHVVOQWPSYLGKA-UHFFFAOYSA-N -1 3 389.455 3.538 20 0 GHADHM Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000890530589 834793623 /nfs/dbraw/zinc/79/36/23/834793623.db2.gz LDJNTUIBSFUDJN-OAHLLOKOSA-N -1 3 398.532 3.534 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1Cl ZINC001213090094 834840821 /nfs/dbraw/zinc/84/08/21/834840821.db2.gz UBSKUBWDZKBTTK-UHFFFAOYSA-N -1 3 383.260 3.767 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCC1 ZINC000472304656 835051428 /nfs/dbraw/zinc/05/14/28/835051428.db2.gz IWSMQOYGKCZANE-UHFFFAOYSA-N -1 3 396.372 3.694 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN4C[C@H]5CCC[C@@H]5C4)nc(=O)c3s2)cc1 ZINC000152837177 835163121 /nfs/dbraw/zinc/16/31/21/835163121.db2.gz PHUWJJIVGMFORB-HUUCEWRRSA-N -1 3 381.501 3.892 20 0 GHADHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(-c2ccccn2)n1 ZINC000066018482 835166538 /nfs/dbraw/zinc/16/65/38/835166538.db2.gz COZOQZCRUXLXLR-UHFFFAOYSA-N -1 3 398.400 3.527 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000548852146 835297701 /nfs/dbraw/zinc/29/77/01/835297701.db2.gz AEAFJFUPQMYRGM-UHFFFAOYSA-N -1 3 399.607 3.774 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000512970116 844037943 /nfs/dbraw/zinc/03/79/43/844037943.db2.gz OBAVWHRMBABXPE-GJZGRUSLSA-N -1 3 379.503 3.539 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3c3cccnc3)cc2)cc(=O)[n-]1 ZINC000509860425 844043785 /nfs/dbraw/zinc/04/37/85/844043785.db2.gz QZHJWJQVFKWEKO-IBGZPJMESA-N -1 3 375.432 3.922 20 0 GHADHM Cc1ccsc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000685692998 835366693 /nfs/dbraw/zinc/36/66/93/835366693.db2.gz IWZADEBTYLXMNF-UHFFFAOYSA-N -1 3 381.454 3.599 20 0 GHADHM COc1cc(OC)cc(OCCCN(C)C(=O)c2cc(SC)ccc2[O-])c1 ZINC000612112554 835518013 /nfs/dbraw/zinc/51/80/13/835518013.db2.gz UTQIAZCXJPPUDY-UHFFFAOYSA-N -1 3 391.489 3.672 20 0 GHADHM O=S(=O)(C=Cc1ccc(Br)cc1)[N-]c1cccc2n[nH]cc21 ZINC000254993830 835563356 /nfs/dbraw/zinc/56/33/56/835563356.db2.gz OLGBNVVAVWKKGO-HJWRWDBZSA-N -1 3 378.251 3.738 20 0 GHADHM CCN(C[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1)CC(F)(F)F ZINC000646895078 835720054 /nfs/dbraw/zinc/72/00/54/835720054.db2.gz HWZUZLBMZNXYSE-LLVKDONJSA-N -1 3 398.347 3.757 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2c(C)onc2-c2ccc(F)cc2)n[nH]1 ZINC000728603639 835728819 /nfs/dbraw/zinc/72/88/19/835728819.db2.gz VQWZCNZNIUWPRA-UHFFFAOYSA-N -1 3 393.378 3.835 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000472372294 835735526 /nfs/dbraw/zinc/73/55/26/835735526.db2.gz BQPYZAHQDAXNQI-CYBMUJFWSA-N -1 3 388.427 3.632 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCC1 ZINC000683260948 835780555 /nfs/dbraw/zinc/78/05/55/835780555.db2.gz HKJUOXYHRSNAED-QMMMGPOBSA-N -1 3 383.673 3.862 20 0 GHADHM O=S(=O)([N-]CCCC1CC1)c1cc(Br)ccc1Br ZINC000134857293 835803179 /nfs/dbraw/zinc/80/31/79/835803179.db2.gz QPBWOZRHKVVZGE-UHFFFAOYSA-N -1 3 397.132 3.680 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1OC ZINC000431635754 835931323 /nfs/dbraw/zinc/93/13/23/835931323.db2.gz RVRKLTJBCGWDFP-OAHLLOKOSA-N -1 3 391.823 3.642 20 0 GHADHM O=C(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000584375431 835941633 /nfs/dbraw/zinc/94/16/33/835941633.db2.gz RXDLJCBFWPXXEW-UHFFFAOYSA-N -1 3 381.819 3.826 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(NC(=O)NC4CC4)c3)[nH][n-]2)c1 ZINC000512539737 844112681 /nfs/dbraw/zinc/11/26/81/844112681.db2.gz GNQNPNXQVVGVFG-UHFFFAOYSA-N -1 3 389.459 3.652 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCN(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509883227 844117950 /nfs/dbraw/zinc/11/79/50/844117950.db2.gz FDZAGOQCBLDSRW-UHFFFAOYSA-N -1 3 391.475 3.806 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c(=O)[n-]1 ZINC000016468695 836148857 /nfs/dbraw/zinc/14/88/57/836148857.db2.gz GPKKNIMDBDIHJM-SECBINFHSA-N -1 3 386.254 3.643 20 0 GHADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000158761284 836299282 /nfs/dbraw/zinc/29/92/82/836299282.db2.gz CDEOHUACLJGFBQ-MRVPVSSYSA-N -1 3 380.363 3.531 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCCC2(CC2)C1 ZINC000547786209 836438880 /nfs/dbraw/zinc/43/88/80/836438880.db2.gz HLNWYBKCWYGZOQ-UHFFFAOYSA-N -1 3 388.464 3.643 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1Cl ZINC000748095923 836490787 /nfs/dbraw/zinc/49/07/87/836490787.db2.gz QSMBQNVCTQJFGG-UHFFFAOYSA-N -1 3 393.896 3.699 20 0 GHADHM COc1ccc(OC(C)(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000612643896 836534614 /nfs/dbraw/zinc/53/46/14/836534614.db2.gz VPZOVSSJAIWEKF-UHFFFAOYSA-N -1 3 394.265 3.637 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1Br ZINC000433442128 844176047 /nfs/dbraw/zinc/17/60/47/844176047.db2.gz YQIPREIUPJRNKR-GXTWGEPZSA-N -1 3 388.233 3.562 20 0 GHADHM NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000536220270 836654671 /nfs/dbraw/zinc/65/46/71/836654671.db2.gz MUVFUKZKWUFXRJ-UHFFFAOYSA-N -1 3 397.431 3.570 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(Br)c(F)c1 ZINC000511368654 836658258 /nfs/dbraw/zinc/65/82/58/836658258.db2.gz ZZZZJDIXEUOMRC-UHFFFAOYSA-N -1 3 390.196 3.599 20 0 GHADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000510216158 836797857 /nfs/dbraw/zinc/79/78/57/836797857.db2.gz MYFXKUOSLNHBGL-UHFFFAOYSA-N -1 3 384.461 3.729 20 0 GHADHM C[C@@H](SCC(=O)N1CCCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000024719099 836858945 /nfs/dbraw/zinc/85/89/45/836858945.db2.gz JGLHRYAXOPKLLE-LLVKDONJSA-N -1 3 389.502 3.661 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2cccc(Cl)c2F)no1 ZINC000376389409 836915944 /nfs/dbraw/zinc/91/59/44/836915944.db2.gz VPCDBBGADSMWTG-UHFFFAOYSA-N -1 3 397.797 3.986 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3cccc4ccccc43)nc21 ZINC001266467150 837095263 /nfs/dbraw/zinc/09/52/63/837095263.db2.gz GUSJIVFSMDUAHS-ZDUSSCGKSA-N -1 3 389.411 3.909 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000056409744 837096173 /nfs/dbraw/zinc/09/61/73/837096173.db2.gz IYGBSIBWXVQEBY-OAHLLOKOSA-N -1 3 390.505 3.896 20 0 GHADHM COc1cc(OC)c([N-]S(=O)(=O)CCC(C)(C)C)cc1Br ZINC000570612882 837116816 /nfs/dbraw/zinc/11/68/16/837116816.db2.gz ZJNOYHCKVDJLPD-UHFFFAOYSA-N -1 3 380.304 3.644 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)c1Cl ZINC000685912778 837160995 /nfs/dbraw/zinc/16/09/95/837160995.db2.gz BBMMSWKPTWQBAB-UHFFFAOYSA-N -1 3 396.093 3.682 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1c(Cl)cccc1Cl ZINC000548983861 837192848 /nfs/dbraw/zinc/19/28/48/837192848.db2.gz DZOIRKDKOYFCBX-VIFPVBQESA-N -1 3 392.242 3.802 20 0 GHADHM O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000510270322 837257320 /nfs/dbraw/zinc/25/73/20/837257320.db2.gz FSEOMEVZRHTCMF-UHFFFAOYSA-N -1 3 398.831 3.991 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000685916390 837260867 /nfs/dbraw/zinc/26/08/67/837260867.db2.gz ZVVLLXVHTYDOSA-UHFFFAOYSA-N -1 3 394.493 3.968 20 0 GHADHM CN(C)c1nc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc(=O)[n-]1 ZINC000431746396 837296502 /nfs/dbraw/zinc/29/65/02/837296502.db2.gz VATYCJSZZKUUBK-AWEZNQCLSA-N -1 3 381.263 3.532 20 0 GHADHM Cc1ccc([C@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)cc1C ZINC000431851196 837847169 /nfs/dbraw/zinc/84/71/69/837847169.db2.gz MIUSCLCWJWGLOE-MRXNPFEDSA-N -1 3 389.249 3.565 20 0 GHADHM Cc1ccc([C@@H]2NC(=O)N(Cc3ccc([O-])c(Br)c3)C2=O)cc1C ZINC000431851195 837847355 /nfs/dbraw/zinc/84/73/55/837847355.db2.gz MIUSCLCWJWGLOE-INIZCTEOSA-N -1 3 389.249 3.565 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCc2cccc(F)c2)c1 ZINC000683610821 837963301 /nfs/dbraw/zinc/96/33/01/837963301.db2.gz DHYDYOHRUQEWTD-OAHLLOKOSA-N -1 3 382.313 3.782 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000177578278 837980053 /nfs/dbraw/zinc/98/00/53/837980053.db2.gz RUFQWUAIMQSPBR-UHFFFAOYSA-N -1 3 380.416 3.539 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCSc4ccccc43)cc2)n1 ZINC000607809193 838049001 /nfs/dbraw/zinc/04/90/01/838049001.db2.gz GDYWQXZGRKHZHE-KRWDZBQOSA-N -1 3 377.469 3.963 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000728260773 838068354 /nfs/dbraw/zinc/06/83/54/838068354.db2.gz OSRGJWACYHLYDD-PBHICJAKSA-N -1 3 384.517 3.601 20 0 GHADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000535693269 844297307 /nfs/dbraw/zinc/29/73/07/844297307.db2.gz VWKMNUUHDVIDKC-QMMMGPOBSA-N -1 3 396.822 3.640 20 0 GHADHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000535693268 844297696 /nfs/dbraw/zinc/29/76/96/844297696.db2.gz VWKMNUUHDVIDKC-MRVPVSSYSA-N -1 3 396.822 3.640 20 0 GHADHM COCCSc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000159015552 838271580 /nfs/dbraw/zinc/27/15/80/838271580.db2.gz RXCBGNCGPJAHBA-CYBMUJFWSA-N -1 3 378.469 3.830 20 0 GHADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001125839585 838354014 /nfs/dbraw/zinc/35/40/14/838354014.db2.gz UMUYPKWHBZEKKE-WMLDXEAASA-N -1 3 398.544 3.991 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000178490763 838382342 /nfs/dbraw/zinc/38/23/42/838382342.db2.gz DPVBZEYFNMPUDY-UHFFFAOYSA-N -1 3 399.443 3.680 20 0 GHADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000430470102 838423963 /nfs/dbraw/zinc/42/39/63/838423963.db2.gz GCTRJFSQJDWXDP-GDBMZVCRSA-N -1 3 390.480 3.887 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccsc3)nc(=O)c2c1C ZINC000128414778 838445289 /nfs/dbraw/zinc/44/52/89/838445289.db2.gz VWJNDTQFKKDXML-LLVKDONJSA-N -1 3 391.518 3.724 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)N[N-]C(=O)c1ccc(F)cc1Br ZINC000160343592 838535940 /nfs/dbraw/zinc/53/59/40/838535940.db2.gz LCXQFWYWFHZVSX-UHFFFAOYSA-N -1 3 385.620 3.625 20 0 GHADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000311636525 838539381 /nfs/dbraw/zinc/53/93/81/838539381.db2.gz NZMQRROBLQJQOF-RKDXNWHRSA-N -1 3 384.748 3.665 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000179559863 838546256 /nfs/dbraw/zinc/54/62/56/838546256.db2.gz ZWNWEYUTVFZTJA-SFHVURJKSA-N -1 3 396.487 3.511 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nccn2CCc2ccccc2)sc1Cl ZINC000188162260 838561526 /nfs/dbraw/zinc/56/15/26/838561526.db2.gz YZSSYFVKTHHWSN-UHFFFAOYSA-N -1 3 395.937 3.628 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000548040371 838662951 /nfs/dbraw/zinc/66/29/51/838662951.db2.gz POJJJWKNCIDQPV-UHFFFAOYSA-N -1 3 388.411 3.576 20 0 GHADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000659797636 838679606 /nfs/dbraw/zinc/67/96/06/838679606.db2.gz OWHSAWMIGXGYIM-KHYOSLBOSA-N -1 3 377.843 3.703 20 0 GHADHM C[C@H](c1nc(-c2cccnc2)no1)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659797793 838680469 /nfs/dbraw/zinc/68/04/69/838680469.db2.gz PHBUIAXYXQIESK-JLZZUVOBSA-N -1 3 398.850 3.646 20 0 GHADHM CN(Cc1ccco1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182875992 838837414 /nfs/dbraw/zinc/83/74/14/838837414.db2.gz IDVHCCSJGNLMGJ-HXUWFJFHSA-N -1 3 378.428 3.505 20 0 GHADHM O=C(NCc1ncccc1[O-])NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000471537927 838842544 /nfs/dbraw/zinc/84/25/44/838842544.db2.gz NPZYUHUDLGGOMD-VVWGJOJXSA-N -1 3 385.467 3.884 20 0 GHADHM O=C(c1cnn(C2CCCC2)c1-c1ccccc1)N1CCCc2c(=O)[n-]cnc21 ZINC000893203680 838863113 /nfs/dbraw/zinc/86/31/13/838863113.db2.gz AFBZOCKPPHABON-UHFFFAOYSA-N -1 3 389.459 3.754 20 0 GHADHM COc1ccccc1-c1noc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)n1 ZINC000378327379 838873434 /nfs/dbraw/zinc/87/34/34/838873434.db2.gz DKBKMHOTBGRXMI-NSHDSACASA-N -1 3 391.349 3.854 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@@H](C)[C@H]1C ZINC000416323992 838963557 /nfs/dbraw/zinc/96/35/57/838963557.db2.gz VYHYXWOFDUHUBG-ILXRZTDVSA-N -1 3 390.480 3.743 20 0 GHADHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000377082344 838970575 /nfs/dbraw/zinc/97/05/75/838970575.db2.gz NAYAHVQUEBTALL-TYCQWZJGSA-N -1 3 376.456 3.609 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC000893216697 838976174 /nfs/dbraw/zinc/97/61/74/838976174.db2.gz BVNDODLQOHZZTK-UHFFFAOYSA-N -1 3 382.247 3.627 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC(C)C)c1 ZINC000183151170 839236241 /nfs/dbraw/zinc/23/62/41/839236241.db2.gz BBJRDYANICVOOE-INIZCTEOSA-N -1 3 385.464 3.982 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)Cc2cccc(Br)c2C)c(C2CC2)n1 ZINC000656182583 839318386 /nfs/dbraw/zinc/31/83/86/839318386.db2.gz FXPXRCWNEVBJIG-UHFFFAOYSA-N -1 3 396.310 3.675 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000468578749 839394585 /nfs/dbraw/zinc/39/45/85/839394585.db2.gz AWUIBDCGMMPHHH-UHFFFAOYSA-N -1 3 396.915 3.913 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1C ZINC000580373386 839412504 /nfs/dbraw/zinc/41/25/04/839412504.db2.gz TWZOCEPEENOOLP-UHFFFAOYSA-N -1 3 396.459 3.775 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000416585725 839461216 /nfs/dbraw/zinc/46/12/16/839461216.db2.gz FOFZCHVSJFTXFX-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM O=c1nc(CN2CCC(c3cn[nH]c3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000377533977 839690404 /nfs/dbraw/zinc/69/04/04/839690404.db2.gz ODXMZODLBTXFRD-UHFFFAOYSA-N -1 3 381.461 3.760 20 0 GHADHM Cc1ccc(-c2nc([O-])n[nH]2)cc1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000580577268 839830522 /nfs/dbraw/zinc/83/05/22/839830522.db2.gz OYQKJSKUZKGQSU-UHFFFAOYSA-N -1 3 396.476 3.810 20 0 GHADHM O=C(Cc1cncn1Cc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000431846725 839842043 /nfs/dbraw/zinc/84/20/43/839842043.db2.gz SAIXKFKGRVZABI-UHFFFAOYSA-N -1 3 386.249 3.581 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000129980127 840069544 /nfs/dbraw/zinc/06/95/44/840069544.db2.gz ILAJHRCQNAPXGC-KBPBESRZSA-N -1 3 384.398 3.778 20 0 GHADHM CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000047075858 840150448 /nfs/dbraw/zinc/15/04/48/840150448.db2.gz PKXPHVIEPDAIIY-UHFFFAOYSA-N -1 3 394.468 3.690 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000193797208 840181431 /nfs/dbraw/zinc/18/14/31/840181431.db2.gz KXMOTULMXUTDFR-UHFFFAOYSA-N -1 3 392.481 3.636 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1Br ZINC000193822025 840188070 /nfs/dbraw/zinc/18/80/70/840188070.db2.gz UINVCJSYZODXNQ-UHFFFAOYSA-N -1 3 389.202 3.606 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1C ZINC000055631451 840199989 /nfs/dbraw/zinc/19/99/89/840199989.db2.gz FSZFTIRJYOIQOD-SFHVURJKSA-N -1 3 391.489 3.671 20 0 GHADHM CCCCOCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000728763353 840227546 /nfs/dbraw/zinc/22/75/46/840227546.db2.gz UDHYHVUJZOUJGH-UHFFFAOYSA-N -1 3 395.452 3.600 20 0 GHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000471621386 840266125 /nfs/dbraw/zinc/26/61/25/840266125.db2.gz SFQCJLGNCOTJSW-OAHLLOKOSA-N -1 3 390.443 3.600 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000055652254 840287930 /nfs/dbraw/zinc/28/79/30/840287930.db2.gz STMCKKUUMKGEIE-UHFFFAOYSA-N -1 3 377.462 3.744 20 0 GHADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1 ZINC000050530417 840301602 /nfs/dbraw/zinc/30/16/02/840301602.db2.gz XHSAQXLWDVJIMW-UHFFFAOYSA-N -1 3 396.371 3.925 20 0 GHADHM O=C(CCc1nc(-c2cccs2)no1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160684171 840407761 /nfs/dbraw/zinc/40/77/61/840407761.db2.gz ZAQFQJGOPNNHFN-UHFFFAOYSA-N -1 3 397.378 3.998 20 0 GHADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000584663841 840461690 /nfs/dbraw/zinc/46/16/90/840461690.db2.gz NCLJBZFXRZQPDL-ZDUSSCGKSA-N -1 3 393.409 3.761 20 0 GHADHM CCO[C@H](CCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCCC1 ZINC000934023546 844542572 /nfs/dbraw/zinc/54/25/72/844542572.db2.gz IFRLQKGPFAFYLZ-GOSISDBHSA-N -1 3 378.419 3.522 20 0 GHADHM Cc1ccc(OC2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CC2)cc1 ZINC000933027379 840516883 /nfs/dbraw/zinc/51/68/83/840516883.db2.gz UYHWCBBDTXSUMG-UHFFFAOYSA-N -1 3 398.409 3.798 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581021267 840597227 /nfs/dbraw/zinc/59/72/27/840597227.db2.gz UYWMZBURUSBSSD-CYBMUJFWSA-N -1 3 389.839 3.523 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1 ZINC000549864215 844558487 /nfs/dbraw/zinc/55/84/87/844558487.db2.gz BQWASUOXYPRUEX-OAHLLOKOSA-N -1 3 393.892 3.524 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccnc1C(F)(F)F ZINC000584737461 840717205 /nfs/dbraw/zinc/71/72/05/840717205.db2.gz PMDLHZZUEULQCV-GXTWGEPZSA-N -1 3 388.386 3.854 20 0 GHADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000510369107 840852724 /nfs/dbraw/zinc/85/27/24/840852724.db2.gz KBJYFXBCKCJEAN-SMDDNHRTSA-N -1 3 391.320 3.994 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000188475321 840976275 /nfs/dbraw/zinc/97/62/75/840976275.db2.gz YJBSLYGNMSIDQK-NTUHNPAUSA-N -1 3 375.197 3.517 20 0 GHADHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000511857410 840995569 /nfs/dbraw/zinc/99/55/69/840995569.db2.gz CAFNSMMHGVVZLE-VIFPVBQESA-N -1 3 379.787 3.503 20 0 GHADHM Cc1cc(F)c(CNC2CCN(c3cc(C(=O)[O-])ccn3)CC2)c(Cl)c1 ZINC000417574447 841011761 /nfs/dbraw/zinc/01/17/61/841011761.db2.gz WZNCTBKXYSAZLQ-UHFFFAOYSA-N -1 3 377.847 3.639 20 0 GHADHM CCCOc1ccc(Br)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417616046 841066472 /nfs/dbraw/zinc/06/64/72/841066472.db2.gz ALWWDZPCEGPTQZ-LLVKDONJSA-N -1 3 398.219 3.981 20 0 GHADHM C[C@@H](CC(C)(C)NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000417630067 841068387 /nfs/dbraw/zinc/06/83/87/841068387.db2.gz BZBRDFYUMMYZEM-QMMMGPOBSA-N -1 3 394.107 3.586 20 0 GHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000390244002 841084529 /nfs/dbraw/zinc/08/45/29/841084529.db2.gz CZRDCKFZGRQROD-UHFFFAOYSA-N -1 3 376.650 3.816 20 0 GHADHM CC(C)Cn1cc(CN[C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cn1 ZINC000417638920 841089099 /nfs/dbraw/zinc/08/90/99/841089099.db2.gz KTCBRERDXXQCCI-GUYCJALGSA-N -1 3 394.313 3.853 20 0 GHADHM C[C@@H]([C@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-])C1CC1 ZINC000417639130 841090973 /nfs/dbraw/zinc/09/09/73/841090973.db2.gz LHFLYTTWWRGWMT-DIFFPNOSSA-N -1 3 380.897 3.964 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n1 ZINC000660752531 841156293 /nfs/dbraw/zinc/15/62/93/841156293.db2.gz WHSCRRSQNGMDRG-UHFFFAOYSA-N -1 3 396.535 3.630 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)c2)n1 ZINC000049301776 841498961 /nfs/dbraw/zinc/49/89/61/841498961.db2.gz GIKZQXMDGOYZFF-OAHLLOKOSA-N -1 3 377.444 3.714 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000651744086 841501002 /nfs/dbraw/zinc/50/10/02/841501002.db2.gz PPVLDSALRNNCQW-JTQLQIEISA-N -1 3 396.397 3.631 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C1CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000651819053 841647245 /nfs/dbraw/zinc/64/72/45/841647245.db2.gz NZZWKTLKIOEFPX-OAHLLOKOSA-N -1 3 397.846 3.842 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(Br)cc3C)n[n-]2)o1 ZINC000497737296 841660120 /nfs/dbraw/zinc/66/01/20/841660120.db2.gz ZJSGXWRDHUBMKI-UHFFFAOYSA-N -1 3 375.226 3.625 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1c(Cl)cccc1Cl ZINC000045812069 841796643 /nfs/dbraw/zinc/79/66/43/841796643.db2.gz YHJZREZMPLMYEG-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c(Br)c1 ZINC000312682075 841841203 /nfs/dbraw/zinc/84/12/03/841841203.db2.gz DEHCZOUMOKYQOE-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1[O-] ZINC000184184559 841898108 /nfs/dbraw/zinc/89/81/08/841898108.db2.gz JXOXMYYXRYOWGE-UHFFFAOYSA-N -1 3 392.459 3.562 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@@H]12 ZINC000656765498 841900976 /nfs/dbraw/zinc/90/09/76/841900976.db2.gz NOVUYVXWBLGKNM-ARFHVFGLSA-N -1 3 375.856 3.855 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCCC[C@H]12 ZINC000656769137 841907011 /nfs/dbraw/zinc/90/70/11/841907011.db2.gz YRABIONCGYDDIP-OAGGEKHMSA-N -1 3 375.856 3.855 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1csc(-c2ccccc2)n1 ZINC000500448877 842217626 /nfs/dbraw/zinc/21/76/26/842217626.db2.gz WLBVMALKGDEDEO-UHFFFAOYSA-N -1 3 396.440 3.890 20 0 GHADHM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000156250579 842222860 /nfs/dbraw/zinc/22/28/60/842222860.db2.gz FANFVLVRTLQKHP-MNOVXSKESA-N -1 3 393.336 3.765 20 0 GHADHM CC(C)N(C(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000007095205 842253424 /nfs/dbraw/zinc/25/34/24/842253424.db2.gz JAJSVUDETCHHAS-CQSZACIVSA-N -1 3 399.520 3.647 20 0 GHADHM COc1ccc([C@@H](NC(=O)NCc2ncccc2[O-])c2ccc(C)cc2)cc1 ZINC000471731626 842283623 /nfs/dbraw/zinc/28/36/23/842283623.db2.gz MDZLXSQDUQVCJY-NRFANRHFSA-N -1 3 377.444 3.693 20 0 GHADHM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000663109102 842492645 /nfs/dbraw/zinc/49/26/45/842492645.db2.gz XYWAXFAWXOOSRC-LJQANCHMSA-N -1 3 386.536 3.781 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000471790108 842541617 /nfs/dbraw/zinc/54/16/17/842541617.db2.gz GDXXLOWLPGVLNA-UHFFFAOYSA-N -1 3 384.432 3.950 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CCCCC1 ZINC000585819584 842582457 /nfs/dbraw/zinc/58/24/57/842582457.db2.gz TVAXSZFRMSIADO-MRXNPFEDSA-N -1 3 397.541 3.937 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000652459620 842585785 /nfs/dbraw/zinc/58/57/85/842585785.db2.gz COGNNWVZVSVJGA-FQEVSTJZSA-N -1 3 385.504 3.862 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1 ZINC000050534846 842702268 /nfs/dbraw/zinc/70/22/68/842702268.db2.gz FHBSLQXUXFIYMG-UHFFFAOYSA-N -1 3 390.530 3.552 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512166329 842718391 /nfs/dbraw/zinc/71/83/91/842718391.db2.gz SNNZREZXWKPZQA-UHFFFAOYSA-N -1 3 388.427 3.814 20 0 GHADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000050633243 842736079 /nfs/dbraw/zinc/73/60/79/842736079.db2.gz PZTOMLZKVRLNNK-QGZVFWFLSA-N -1 3 392.455 3.770 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000471828836 842749696 /nfs/dbraw/zinc/74/96/96/842749696.db2.gz XWVDTZUOANOUQR-LBPRGKRZSA-N -1 3 386.452 3.919 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001126200914 842808955 /nfs/dbraw/zinc/80/89/55/842808955.db2.gz ABIFAFPIBITNAE-HUUCEWRRSA-N -1 3 398.544 3.849 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000581970339 842847731 /nfs/dbraw/zinc/84/77/31/842847731.db2.gz WVAHPJQZGLEJBP-GOSISDBHSA-N -1 3 390.464 3.654 20 0 GHADHM CCOc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000254318764 842855527 /nfs/dbraw/zinc/85/55/27/842855527.db2.gz HRHHWTUOGDJTHX-UHFFFAOYSA-N -1 3 376.840 3.590 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000153299774 842864478 /nfs/dbraw/zinc/86/44/78/842864478.db2.gz DXMQATUNUGEDSY-GXTWGEPZSA-N -1 3 389.293 3.989 20 0 GHADHM CC[C@]([N-]S(=O)(=O)c1cccc2ccccc21)(C(=O)OC)c1ccccc1 ZINC000510505746 842871451 /nfs/dbraw/zinc/87/14/51/842871451.db2.gz JBIVKHUDYAQBOO-OAQYLSRUSA-N -1 3 383.469 3.597 20 0 GHADHM O=C([O-])[C@H]1CCCCN1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662204319 842879145 /nfs/dbraw/zinc/87/91/45/842879145.db2.gz HSZXGXKHJQWBFB-LLVKDONJSA-N -1 3 396.203 3.829 20 0 GHADHM CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000254484232 842891083 /nfs/dbraw/zinc/89/10/83/842891083.db2.gz DXKIBOXTUASWAK-UHFFFAOYSA-N -1 3 397.656 3.971 20 0 GHADHM O=C([O-])CC[C@@H](CNCc1cc(Br)cc2c1OCC2)C(F)(F)F ZINC000663261538 842939771 /nfs/dbraw/zinc/93/97/71/842939771.db2.gz KOIYUQUWMIWBNO-NSHDSACASA-N -1 3 396.203 3.517 20 0 GHADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1Cl ZINC000014210006 861361716 /nfs/dbraw/zinc/36/17/16/861361716.db2.gz XSXXDUUBPBBYGS-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN(CC(=O)[O-])CC(C)(C)C)cc2)cc1 ZINC000662223181 842957006 /nfs/dbraw/zinc/95/70/06/842957006.db2.gz MXMCQLBKIXGARF-UHFFFAOYSA-N -1 3 389.517 3.761 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)o1 ZINC000471862745 842997150 /nfs/dbraw/zinc/99/71/50/842997150.db2.gz SOUZCQZMPPGQJC-UHFFFAOYSA-N -1 3 390.383 3.550 20 0 GHADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@](C)(C(F)F)O1 ZINC000662364203 843160612 /nfs/dbraw/zinc/16/06/12/843160612.db2.gz WZOZXAJORIFBQU-MGNBDDOMSA-N -1 3 395.431 3.901 20 0 GHADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc23)o1 ZINC000610590568 843212328 /nfs/dbraw/zinc/21/23/28/843212328.db2.gz ZVRSELJZGJTCOT-UHFFFAOYSA-N -1 3 399.877 3.803 20 0 GHADHM COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(=S)[n-]n1 ZINC001167887155 843246116 /nfs/dbraw/zinc/24/61/16/843246116.db2.gz SYHZPBMSNITBRN-SFHVURJKSA-N -1 3 395.484 3.541 20 0 GHADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000186982346 843269383 /nfs/dbraw/zinc/26/93/83/843269383.db2.gz WCKJHYIWQVKSPA-HNNXBMFYSA-N -1 3 392.546 3.603 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512308088 843342405 /nfs/dbraw/zinc/34/24/05/843342405.db2.gz GQBALSKBGQIPHA-UHFFFAOYSA-N -1 3 378.819 3.718 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1cc(C(F)(F)F)ccc1F ZINC001211711166 843394127 /nfs/dbraw/zinc/39/41/27/843394127.db2.gz VKQOSGPDIXGCIP-GXTWGEPZSA-N -1 3 377.334 3.818 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000011077825 881340419 /nfs/dbraw/zinc/34/04/19/881340419.db2.gz FLWXVZOQGYOAJP-MRXNPFEDSA-N -1 3 396.424 3.581 20 0 GHADHM COc1cccc2c1[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000481454565 861439586 /nfs/dbraw/zinc/43/95/86/861439586.db2.gz PGASGSRBTZPDPX-ZDUSSCGKSA-N -1 3 376.250 3.510 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c1Cl ZINC000431174654 843783369 /nfs/dbraw/zinc/78/33/69/843783369.db2.gz FNUIDUOXDDRRFR-UHFFFAOYSA-N -1 3 392.864 3.728 20 0 GHADHM O=C(NC1(Cc2ccccc2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000548471546 843825679 /nfs/dbraw/zinc/82/56/79/843825679.db2.gz FCGNQSBURWTURI-UHFFFAOYSA-N -1 3 397.272 3.796 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)Oc2cccc(C)c2)[nH][n-]1 ZINC000512832393 843828425 /nfs/dbraw/zinc/82/84/25/843828425.db2.gz HLPALJUMNISSDN-ZDUSSCGKSA-N -1 3 385.851 3.875 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC000469825545 843846601 /nfs/dbraw/zinc/84/66/01/843846601.db2.gz UZKFBYHPJYYJFZ-UHFFFAOYSA-N -1 3 384.457 3.868 20 0 GHADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1cc(Cl)ccc1Br ZINC000429891520 843857951 /nfs/dbraw/zinc/85/79/51/843857951.db2.gz RILKEVGIUGJUTD-UHFFFAOYSA-N -1 3 386.698 3.548 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Oc4ccccc4)o3)nc21 ZINC000512864993 843890306 /nfs/dbraw/zinc/89/03/06/843890306.db2.gz LPJDEBXVDMKSOP-UHFFFAOYSA-N -1 3 377.356 3.987 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(Br)ccc1Cl ZINC000429895656 843907266 /nfs/dbraw/zinc/90/72/66/843907266.db2.gz BTODNPQKEMYKIY-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CCC2(CCC(O)CC2)CC1 ZINC000567125244 844661241 /nfs/dbraw/zinc/66/12/41/844661241.db2.gz HKTBGKDDPPKEML-UHFFFAOYSA-N -1 3 382.298 3.664 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cnc2c(F)ccc(F)c2c1 ZINC000481478645 861485811 /nfs/dbraw/zinc/48/58/11/861485811.db2.gz XRMVHUMVCQYYSU-UHFFFAOYSA-N -1 3 393.187 3.911 20 0 GHADHM CSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052750102 844785814 /nfs/dbraw/zinc/78/58/14/844785814.db2.gz DXRIZEPVBLCCSB-KSSFIOAISA-N -1 3 384.501 3.596 20 0 GHADHM CSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052750104 844786329 /nfs/dbraw/zinc/78/63/29/844786329.db2.gz DXRIZEPVBLCCSB-KBXCAEBGSA-N -1 3 384.501 3.596 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2cc(I)ccc2[O-])s1 ZINC000610951093 844892229 /nfs/dbraw/zinc/89/22/29/844892229.db2.gz DGJKNANJHSWILU-UHFFFAOYSA-N -1 3 388.230 3.829 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2c3ccccc3C[C@H]2Cc2ccccc2)c(=O)[n-]1 ZINC000637640594 844925476 /nfs/dbraw/zinc/92/54/76/844925476.db2.gz FYXJWVBXHUXLHH-HXUWFJFHSA-N -1 3 387.483 3.932 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C12CCC2 ZINC000657186167 845009902 /nfs/dbraw/zinc/00/99/02/845009902.db2.gz BCDOPZACAPYNKQ-KGLIPLIRSA-N -1 3 392.443 3.505 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000657195608 845101583 /nfs/dbraw/zinc/10/15/83/845101583.db2.gz HSAJNTLACVOMKX-CZUORRHYSA-N -1 3 396.871 3.662 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@@H](C)C[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000513247239 845117290 /nfs/dbraw/zinc/11/72/90/845117290.db2.gz LUFQJCIJPGHOKZ-WFASDCNBSA-N -1 3 397.500 3.663 20 0 GHADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@H](O)Cc1ccccc1 ZINC000433072258 845167816 /nfs/dbraw/zinc/16/78/16/845167816.db2.gz NUDAHYKELJAJSV-OAHLLOKOSA-N -1 3 395.484 3.692 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262209360 845273932 /nfs/dbraw/zinc/27/39/32/845273932.db2.gz TWYFHAVJGYBWCH-HKARXFIJSA-N -1 3 394.471 3.993 20 0 GHADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000277197995 845284985 /nfs/dbraw/zinc/28/49/85/845284985.db2.gz GHTJKAFHQOHHCY-GOEBONIOSA-N -1 3 380.851 3.573 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cn1 ZINC001211766919 845346980 /nfs/dbraw/zinc/34/69/80/845346980.db2.gz XAJGKCRJDNCLDI-OAHLLOKOSA-N -1 3 392.374 3.590 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000509780907 845390309 /nfs/dbraw/zinc/39/03/09/845390309.db2.gz FITCJHOSTVROHC-HNNXBMFYSA-N -1 3 386.926 3.551 20 0 GHADHM CC1(c2cc(NC(=O)NCc3ccc([O-])c(Br)c3)no2)CCCC1 ZINC000433840703 845477722 /nfs/dbraw/zinc/47/77/22/845477722.db2.gz ZOLPVLHZONQGGN-UHFFFAOYSA-N -1 3 394.269 3.718 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000277309474 845664626 /nfs/dbraw/zinc/66/46/26/845664626.db2.gz NGQHWTVEYKRUBX-GFCCVEGCSA-N -1 3 381.778 3.633 20 0 GHADHM CCc1cc(CCCSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)on1 ZINC000657284016 845665839 /nfs/dbraw/zinc/66/58/39/845665839.db2.gz LCKFYJLECXHMOZ-UHFFFAOYSA-N -1 3 395.488 3.856 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000548607786 845784307 /nfs/dbraw/zinc/78/43/07/845784307.db2.gz VLQHVMNYEDCWES-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000014254879 845963497 /nfs/dbraw/zinc/96/34/97/845963497.db2.gz UMFZZKZNCNFESD-UHFFFAOYSA-N -1 3 376.331 3.604 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)[n-]1 ZINC000559478970 846259978 /nfs/dbraw/zinc/25/99/78/846259978.db2.gz GQWPYCDLTGJDBF-UHFFFAOYSA-N -1 3 392.337 3.567 20 0 GHADHM CS(=O)(=O)c1ccc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000502643834 846290464 /nfs/dbraw/zinc/29/04/64/846290464.db2.gz YCJRRAQHRCRXTI-UHFFFAOYSA-N -1 3 386.454 3.777 20 0 GHADHM O=c1nc(CN2CCO[C@@H](c3cccs3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000157991575 846313113 /nfs/dbraw/zinc/31/31/13/846313113.db2.gz UYIWDXZRROQAMT-CQSZACIVSA-N -1 3 399.497 3.880 20 0 GHADHM CC[C@@H](NC(=O)NCc1ncccc1[O-])c1cc(F)cc(Br)c1 ZINC000472170722 846395924 /nfs/dbraw/zinc/39/59/24/846395924.db2.gz IHFMQLMFRHRMIG-CYBMUJFWSA-N -1 3 382.233 3.639 20 0 GHADHM CC1(C)CCCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678484 846481768 /nfs/dbraw/zinc/48/17/68/846481768.db2.gz ARKPEDYVKZXLFS-VIFPVBQESA-N -1 3 382.224 3.785 20 0 GHADHM Cc1nc2nc(SCc3nc4c5ccccc5oc4c(=O)[n-]3)nn2c(C)c1C ZINC000502824894 846519743 /nfs/dbraw/zinc/51/97/43/846519743.db2.gz DJLQRAPABZWGHT-UHFFFAOYSA-N -1 3 392.444 3.737 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CCc4ccccc43)[n-]c(=O)c12 ZINC000502873103 846560315 /nfs/dbraw/zinc/56/03/15/846560315.db2.gz UJPDHDRRAIILRN-ZDUSSCGKSA-N -1 3 381.457 3.648 20 0 GHADHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc(=O)c2ccccc2[n-]1 ZINC000277507466 846599026 /nfs/dbraw/zinc/59/90/26/846599026.db2.gz JOTRENZSXUOEHC-GGAORHGYSA-N -1 3 394.446 3.583 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000502959216 846664904 /nfs/dbraw/zinc/66/49/04/846664904.db2.gz KHOPUIFYQBMAII-UHFFFAOYSA-N -1 3 381.848 3.923 20 0 GHADHM COC(=O)[C@@H]1CCc2sc(NC(=O)c3cc([O-])c4ccccc4c3)nc2C1 ZINC000421974915 846713840 /nfs/dbraw/zinc/71/38/40/846713840.db2.gz UOMZGUQTCQAHPO-GFCCVEGCSA-N -1 3 382.441 3.532 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC001211541533 846728559 /nfs/dbraw/zinc/72/85/59/846728559.db2.gz XDJAUYRKXZSHMZ-HUUCEWRRSA-N -1 3 385.501 3.886 20 0 GHADHM CC[C@H](CC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC)c1ccccc1 ZINC000422046981 846779728 /nfs/dbraw/zinc/77/97/28/846779728.db2.gz UMKIEMOCGWVMHO-SJLPKXTDSA-N -1 3 387.451 3.563 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)N[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000503143695 846829817 /nfs/dbraw/zinc/82/98/17/846829817.db2.gz FUQRAPSNXCQDGL-QGZVFWFLSA-N -1 3 387.553 3.651 20 0 GHADHM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000179727733 861734055 /nfs/dbraw/zinc/73/40/55/861734055.db2.gz VWUYEQATVTZPCL-UHFFFAOYSA-N -1 3 388.489 3.932 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600358148 861740886 /nfs/dbraw/zinc/74/08/86/861740886.db2.gz APJSVXWNHJAKOP-IAQYHMDHSA-N -1 3 398.297 3.595 20 0 GHADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420738697 847418348 /nfs/dbraw/zinc/41/83/48/847418348.db2.gz ZKIKPFXGUNPZRO-SECBINFHSA-N -1 3 379.322 3.682 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cn2ccsc2n1 ZINC000503225054 847489647 /nfs/dbraw/zinc/48/96/47/847489647.db2.gz WVCWSGJYXHIYTN-UHFFFAOYSA-N -1 3 381.866 3.582 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000502202671 847604850 /nfs/dbraw/zinc/60/48/50/847604850.db2.gz AFTHEYRDGHCLKL-SECBINFHSA-N -1 3 393.408 3.593 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000159295594 847611920 /nfs/dbraw/zinc/61/19/20/847611920.db2.gz VXBOWMMQXNOTKM-UHFFFAOYSA-N -1 3 381.398 3.780 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1cc(C)ccc1Cl)Cc1ccc([O-])c(F)c1 ZINC000421066220 847680303 /nfs/dbraw/zinc/68/03/03/847680303.db2.gz LMVCUOIBIDUXDX-CYBMUJFWSA-N -1 3 394.830 3.647 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277721262 847703458 /nfs/dbraw/zinc/70/34/58/847703458.db2.gz GXCNGYRBDCJUAV-UHFFFAOYSA-N -1 3 380.419 3.901 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3cc(F)cc4n[n-]nc43)ccc2s1 ZINC000503523868 847768458 /nfs/dbraw/zinc/76/84/58/847768458.db2.gz LQSUNTBKLGFHQU-UHFFFAOYSA-N -1 3 384.392 3.741 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)[C@H](C)C2CC2)c([O-])c1 ZINC000563421108 847852338 /nfs/dbraw/zinc/85/23/38/847852338.db2.gz DOBGEIXGNKRMNU-CQSZACIVSA-N -1 3 385.460 3.859 20 0 GHADHM Cc1ncc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)s1 ZINC000731768499 861854498 /nfs/dbraw/zinc/85/44/98/861854498.db2.gz NJETVAHHECDHJF-UHFFFAOYSA-N -1 3 378.251 3.961 20 0 GHADHM CN(C)c1cccnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000582695118 848045409 /nfs/dbraw/zinc/04/54/09/848045409.db2.gz YOWBQQXTGPZJFN-UHFFFAOYSA-N -1 3 394.711 3.586 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([O-])cc3)n2)cc1 ZINC000011077875 881341935 /nfs/dbraw/zinc/34/19/35/881341935.db2.gz FQRASMISMXPYGD-UHFFFAOYSA-N -1 3 382.441 3.874 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000180074712 861938968 /nfs/dbraw/zinc/93/89/68/861938968.db2.gz NUGYSKHXMGECLW-YOEHRIQHSA-N -1 3 399.516 3.743 20 0 GHADHM CC(C)c1ccccc1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731894466 861942099 /nfs/dbraw/zinc/94/20/99/861942099.db2.gz SVIRQWPNODIWHI-CYBMUJFWSA-N -1 3 395.912 3.554 20 0 GHADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1cc(Br)ccc1Br ZINC000467121153 848880207 /nfs/dbraw/zinc/88/02/07/848880207.db2.gz UVSBMOQNXZKLDJ-SNVBAGLBSA-N -1 3 395.116 3.599 20 0 GHADHM CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1cncc([O-])c1 ZINC000731915855 861956934 /nfs/dbraw/zinc/95/69/34/861956934.db2.gz LUDXDSUSCOPQDH-UHFFFAOYSA-N -1 3 375.377 3.675 20 0 GHADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000583090098 849046071 /nfs/dbraw/zinc/04/60/71/849046071.db2.gz YXVMHJHAQZRWBX-WCMHJXIUSA-N -1 3 377.847 3.749 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000161550493 849146149 /nfs/dbraw/zinc/14/61/49/849146149.db2.gz UNELRXJCSCBSSZ-AWEZNQCLSA-N -1 3 397.435 3.659 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458413971 849243937 /nfs/dbraw/zinc/24/39/37/849243937.db2.gz KXOOVQAWRYQFKI-HNNXBMFYSA-N -1 3 394.244 3.736 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000278165260 849458718 /nfs/dbraw/zinc/45/87/18/849458718.db2.gz POHQRIRSMMGQLV-UHFFFAOYSA-N -1 3 395.488 3.665 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc2[nH]ccc21 ZINC000583284822 849532773 /nfs/dbraw/zinc/53/27/73/849532773.db2.gz SSEBLIGXGQNDHY-UHFFFAOYSA-N -1 3 392.864 3.592 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281877825 849824795 /nfs/dbraw/zinc/82/47/95/849824795.db2.gz ZZZDYWGQWAZVRD-CQSZACIVSA-N -1 3 384.442 3.660 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)ccc1OC1CCCC1 ZINC000504004182 849835779 /nfs/dbraw/zinc/83/57/79/849835779.db2.gz HIRZVCNYOBGUPL-GFCCVEGCSA-N -1 3 398.438 3.918 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccccc1[O-] ZINC000098110469 849842324 /nfs/dbraw/zinc/84/23/24/849842324.db2.gz PPNWJLHSXAIRQF-UHFFFAOYSA-N -1 3 376.250 3.590 20 0 GHADHM Cc1cccn(Cc2c(F)cccc2NC(=O)c2cc([O-])ccc2Cl)c1=O ZINC000583431770 849884337 /nfs/dbraw/zinc/88/43/37/849884337.db2.gz ASEKFIUKTRHOPB-UHFFFAOYSA-N -1 3 386.810 3.955 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439565282 850125860 /nfs/dbraw/zinc/12/58/60/850125860.db2.gz RUQWTHDTYWKVJH-UHFFFAOYSA-N -1 3 381.866 3.709 20 0 GHADHM C[C@@H]1c2ccccc2OCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471841 850139980 /nfs/dbraw/zinc/13/99/80/850139980.db2.gz WXNJXCZSEJUXEV-GFCCVEGCSA-N -1 3 391.265 3.820 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486827353 850148789 /nfs/dbraw/zinc/14/87/89/850148789.db2.gz QWSWIGRDDIXBCF-LURJTMIESA-N -1 3 388.795 3.994 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)cc1F ZINC000486827615 850149122 /nfs/dbraw/zinc/14/91/22/850149122.db2.gz SMZMKVNRDWIOPX-ZETCQYMHSA-N -1 3 386.367 3.788 20 0 GHADHM CCCc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000908620438 850241124 /nfs/dbraw/zinc/24/11/24/850241124.db2.gz NAKVGCVJHXKNBD-QHCPKHFHSA-N -1 3 395.503 3.880 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc(F)ccc1Br ZINC000435226037 850243694 /nfs/dbraw/zinc/24/36/94/850243694.db2.gz JXNWXVGTZZNYRW-IAOVAPTHSA-N -1 3 396.281 3.595 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908705645 850294478 /nfs/dbraw/zinc/29/44/78/850294478.db2.gz YELQXRKSTZVUES-INIZCTEOSA-N -1 3 386.492 3.530 20 0 GHADHM Cc1ncc(CNCc2cc(C(F)(F)F)ccc2Br)c(=O)[n-]1 ZINC000514819728 850346642 /nfs/dbraw/zinc/34/66/42/850346642.db2.gz JQUHZXHUHNDPHL-UHFFFAOYSA-N -1 3 376.176 3.562 20 0 GHADHM Cc1ccc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)cc1 ZINC000504964486 850485043 /nfs/dbraw/zinc/48/50/43/850485043.db2.gz ZJWMLDHGYLYSGZ-UHFFFAOYSA-N -1 3 398.419 3.980 20 0 GHADHM COc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)c(OC)c1 ZINC000505001400 850504254 /nfs/dbraw/zinc/50/42/54/850504254.db2.gz SJFJNWRLNJYHSI-UHFFFAOYSA-N -1 3 395.253 3.802 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C(C)C)n(-c4ccccc4)n3)n[n-]2)o1 ZINC000435466571 850545707 /nfs/dbraw/zinc/54/57/07/850545707.db2.gz WWXVTQFEPNDXMJ-UHFFFAOYSA-N -1 3 376.420 3.935 20 0 GHADHM COc1c(Br)c(C)sc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000515007332 850576046 /nfs/dbraw/zinc/57/60/46/850576046.db2.gz DEUGMOPTPYTCGJ-UHFFFAOYSA-N -1 3 384.251 3.988 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)C)cc1Cl ZINC000519151714 850697474 /nfs/dbraw/zinc/69/74/74/850697474.db2.gz BTMBGFLJTSVOHG-IUODEOHRSA-N -1 3 390.908 3.931 20 0 GHADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000909722896 850728500 /nfs/dbraw/zinc/72/85/00/850728500.db2.gz DLMSJPITCPBLFH-SJLPKXTDSA-N -1 3 378.900 3.580 20 0 GHADHM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000569850999 850764862 /nfs/dbraw/zinc/76/48/62/850764862.db2.gz MZHNIIKNGHNKLZ-CABCVRRESA-N -1 3 386.455 3.861 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000505288577 850791804 /nfs/dbraw/zinc/79/18/04/850791804.db2.gz XOUZBYLPLOHLRT-UHFFFAOYSA-N -1 3 395.406 3.876 20 0 GHADHM COc1ccc(Cl)cc1C(C)(C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000425039656 850884063 /nfs/dbraw/zinc/88/40/63/850884063.db2.gz UDIIIBAJBOHUAR-UHFFFAOYSA-N -1 3 379.840 3.737 20 0 GHADHM Cn1cc([C@@H]2C[C@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)cn1 ZINC000515310649 850903298 /nfs/dbraw/zinc/90/32/98/850903298.db2.gz XKTQDCQZUUTBMZ-IERDGZPVSA-N -1 3 393.443 3.568 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@H]1CF ZINC000515353177 850921002 /nfs/dbraw/zinc/92/10/02/850921002.db2.gz DNSCHIQVYFLETA-VIFPVBQESA-N -1 3 387.636 3.518 20 0 GHADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000434331655 850996186 /nfs/dbraw/zinc/99/61/86/850996186.db2.gz BQVNGIQLSUWLSC-UHFFFAOYSA-N -1 3 386.926 3.513 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440287610 851006646 /nfs/dbraw/zinc/00/66/46/851006646.db2.gz ANOOPLVFDDFQLZ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=C([O-])[C@H](CNCc1ccc(-c2ccncc2)cc1F)Oc1ccc(F)cc1 ZINC000426644704 851086855 /nfs/dbraw/zinc/08/68/55/851086855.db2.gz ABNRKAIAKLEGFV-FQEVSTJZSA-N -1 3 384.382 3.649 20 0 GHADHM Cc1nc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C(=O)[O-] ZINC000910370661 851161104 /nfs/dbraw/zinc/16/11/04/851161104.db2.gz SCOOTRHQWISVSS-UGSOOPFHSA-N -1 3 377.847 3.986 20 0 GHADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CC1 ZINC000729440930 851198126 /nfs/dbraw/zinc/19/81/26/851198126.db2.gz UOPQKMVHBBZEQZ-KBPBESRZSA-N -1 3 384.517 3.552 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000155797942 851244630 /nfs/dbraw/zinc/24/46/30/851244630.db2.gz FOTIQAGRRGOAHA-AWEZNQCLSA-N -1 3 386.414 3.538 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000515631249 851272190 /nfs/dbraw/zinc/27/21/90/851272190.db2.gz PRLPBGBIHBRXAF-LJQANCHMSA-N -1 3 375.490 3.998 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cs1 ZINC000436152293 851289516 /nfs/dbraw/zinc/28/95/16/851289516.db2.gz JTYUHZVKOONJOI-UHFFFAOYSA-N -1 3 389.882 3.776 20 0 GHADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCc1ncccc1[O-] ZINC000473630946 851308979 /nfs/dbraw/zinc/30/89/79/851308979.db2.gz QCMHPIATNIFMSS-UHFFFAOYSA-N -1 3 382.847 3.879 20 0 GHADHM COCCOc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1OC ZINC000044027597 851317696 /nfs/dbraw/zinc/31/76/96/851317696.db2.gz KDDUWUQRXJIYMB-GQCTYLIASA-N -1 3 392.835 3.984 20 0 GHADHM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cccc(CN4CCCCC4)c3)nc2C1 ZINC000910685118 851327009 /nfs/dbraw/zinc/32/70/09/851327009.db2.gz RYDCMXGVDSWKSQ-MRXNPFEDSA-N -1 3 399.516 3.571 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c(F)c1 ZINC000032081257 851330790 /nfs/dbraw/zinc/33/07/90/851330790.db2.gz QVUIBTBLYTUFAU-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000473646175 851368020 /nfs/dbraw/zinc/36/80/20/851368020.db2.gz WCKLGLRNTFSJHB-UHFFFAOYSA-N -1 3 390.468 3.691 20 0 GHADHM O=C(NCc1ncccc1[O-])c1oc2ccccc2c1CSc1ncccn1 ZINC000473644470 851374676 /nfs/dbraw/zinc/37/46/76/851374676.db2.gz RNSLHLAPQYPCFG-UHFFFAOYSA-N -1 3 392.440 3.546 20 0 GHADHM O=c1cc(C2CC2)nc(SCc2nc3ccc(Br)cc3[nH]2)[n-]1 ZINC000436251495 851379067 /nfs/dbraw/zinc/37/90/67/851379067.db2.gz JCFTWDZIOISMOY-UHFFFAOYSA-N -1 3 377.267 3.991 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(SC)c(C(=O)[O-])c3)cc2)CC1 ZINC000910947787 851491204 /nfs/dbraw/zinc/49/12/04/851491204.db2.gz MWSLUOBRSDROAF-UHFFFAOYSA-N -1 3 399.516 3.501 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cncc([O-])c2)cc1 ZINC000732394784 862258785 /nfs/dbraw/zinc/25/87/85/862258785.db2.gz VIQHVOBZEPITBM-IBGZPJMESA-N -1 3 382.460 3.605 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000911104620 851574564 /nfs/dbraw/zinc/57/45/64/851574564.db2.gz YOWYWCRHQIEZSD-SFHVURJKSA-N -1 3 386.517 3.958 20 0 GHADHM CCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000911251940 851649082 /nfs/dbraw/zinc/64/90/82/851649082.db2.gz HJUFUYVBXSOMGF-DYESRHJHSA-N -1 3 380.488 3.611 20 0 GHADHM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000911252327 851649254 /nfs/dbraw/zinc/64/92/54/851649254.db2.gz KQZYRZSASOSLJO-MUESUAJLSA-N -1 3 382.460 3.675 20 0 GHADHM Cc1oc(C(=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000911300185 851672787 /nfs/dbraw/zinc/67/27/87/851672787.db2.gz IJJGVOUMLYSIRY-UHFFFAOYSA-N -1 3 398.381 3.509 20 0 GHADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000041572454 851710961 /nfs/dbraw/zinc/71/09/61/851710961.db2.gz BQQJYIWQXDRZHS-UHFFFAOYSA-N -1 3 389.926 3.675 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000488713724 851718739 /nfs/dbraw/zinc/71/87/39/851718739.db2.gz SAFUHZDQFNUWPF-UHFFFAOYSA-N -1 3 386.377 3.973 20 0 GHADHM CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)N1CCc2sccc2C1 ZINC000550143356 851733767 /nfs/dbraw/zinc/73/37/67/851733767.db2.gz NFGJXNRMWPXZTI-INIZCTEOSA-N -1 3 392.908 3.591 20 0 GHADHM CC1(C)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)(C)CN1Cc1ccccc1 ZINC000911501003 851761795 /nfs/dbraw/zinc/76/17/95/851761795.db2.gz QGILOUVUCDWRQC-RTBURBONSA-N -1 3 386.536 3.779 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c(Br)c1 ZINC000481806861 862282885 /nfs/dbraw/zinc/28/28/85/862282885.db2.gz BYSBRBKGJFHFMU-UHFFFAOYSA-N -1 3 399.310 3.633 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1Cl ZINC000488920680 851862831 /nfs/dbraw/zinc/86/28/31/851862831.db2.gz REHGRXYWZVBUJE-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000481800011 862292625 /nfs/dbraw/zinc/29/26/25/862292625.db2.gz YIUXTNPNIAKDJT-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000481800011 862292638 /nfs/dbraw/zinc/29/26/38/862292638.db2.gz YIUXTNPNIAKDJT-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000132850657 862294708 /nfs/dbraw/zinc/29/47/08/862294708.db2.gz WOEAHPOFGIQCGB-UHFFFAOYSA-N -1 3 396.838 3.702 20 0 GHADHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488972973 851903905 /nfs/dbraw/zinc/90/39/05/851903905.db2.gz PIPZEXMBOKZODD-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000555972094 862307936 /nfs/dbraw/zinc/30/79/36/862307936.db2.gz SLTGAMADBRYQHG-UHFFFAOYSA-N -1 3 377.853 3.725 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F ZINC000515985304 852021380 /nfs/dbraw/zinc/02/13/80/852021380.db2.gz GKTNBVXARQKARD-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CC(=O)NCc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436555791 852043297 /nfs/dbraw/zinc/04/32/97/852043297.db2.gz PPYCLJBJFOWWFW-UHFFFAOYSA-N -1 3 390.439 3.860 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436575585 852059358 /nfs/dbraw/zinc/05/93/58/852059358.db2.gz OEEBSRLFCHCEOC-OAHLLOKOSA-N -1 3 383.444 3.988 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1ccc(Cl)s1 ZINC000329779394 862317190 /nfs/dbraw/zinc/31/71/90/862317190.db2.gz LVBDEWSIHUVGPV-INIZCTEOSA-N -1 3 383.922 3.774 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(O[C@@H]2CCOC2)CC1 ZINC000436569374 852072362 /nfs/dbraw/zinc/07/23/62/852072362.db2.gz CZDTZSKRIQLISL-OAQYLSRUSA-N -1 3 395.499 3.588 20 0 GHADHM O=C(NC1CCN(c2ccccn2)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436572163 852075710 /nfs/dbraw/zinc/07/57/10/852075710.db2.gz DJNPOFGVKQPDQR-UHFFFAOYSA-N -1 3 387.483 3.777 20 0 GHADHM C[C@@H]1Oc2ccc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])cc2NC1=O ZINC000436593944 852079448 /nfs/dbraw/zinc/07/94/48/852079448.db2.gz CRRHSJGKKRDNLK-AWEZNQCLSA-N -1 3 388.423 3.955 20 0 GHADHM C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436592698 852079990 /nfs/dbraw/zinc/07/99/90/852079990.db2.gz XWUYMGQEVFYVRC-CQSZACIVSA-N -1 3 389.293 3.674 20 0 GHADHM COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1CO ZINC000436594848 852081751 /nfs/dbraw/zinc/08/17/51/852081751.db2.gz KBKYFMUSOPARJZ-UHFFFAOYSA-N -1 3 379.412 3.724 20 0 GHADHM Cc1ccnc(N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)c1 ZINC000436598690 852085527 /nfs/dbraw/zinc/08/55/27/852085527.db2.gz VGHPAYWGKBUTQB-UHFFFAOYSA-N -1 3 387.483 3.649 20 0 GHADHM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436589896 852096449 /nfs/dbraw/zinc/09/64/49/852096449.db2.gz QMEIKBIXGMZYSQ-SICZQGKRSA-N -1 3 387.501 3.994 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCS[C@H]2COCC[C@H]21 ZINC000436607028 852105165 /nfs/dbraw/zinc/10/51/65/852105165.db2.gz RYKADXYEVKMATL-CTNGQTDRSA-N -1 3 383.513 3.524 20 0 GHADHM CC(C)OCc1nc([C@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000436608773 852107169 /nfs/dbraw/zinc/10/71/69/852107169.db2.gz KTCPYERZCMBZRX-HNNXBMFYSA-N -1 3 395.459 3.782 20 0 GHADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnc2ccccn21 ZINC000436607305 852107587 /nfs/dbraw/zinc/10/75/87/852107587.db2.gz RRIAORRLPQVCKT-INIZCTEOSA-N -1 3 386.455 3.711 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cc(Br)ccc2[O-])N2CCCC2)o1 ZINC000436629640 852123997 /nfs/dbraw/zinc/12/39/97/852123997.db2.gz WGNXETJHFRXGRA-HNNXBMFYSA-N -1 3 393.281 3.623 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1[O-] ZINC000436621645 852135476 /nfs/dbraw/zinc/13/54/76/852135476.db2.gz ANNWEPYLFCWZDP-OAHLLOKOSA-N -1 3 386.879 3.813 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000436655876 852145750 /nfs/dbraw/zinc/14/57/50/852145750.db2.gz KFUIZCCFZIKIMM-VWLOTQADSA-N -1 3 387.479 3.759 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000436657050 852146803 /nfs/dbraw/zinc/14/68/03/852146803.db2.gz OSFJKPNHAYXRRN-XMMPIXPASA-N -1 3 389.451 3.961 20 0 GHADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCCCC2 ZINC000436663449 852160780 /nfs/dbraw/zinc/16/07/80/852160780.db2.gz LVZQUGQHYXPZAO-MJGOQNOKSA-N -1 3 384.520 3.816 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000516114256 852161524 /nfs/dbraw/zinc/16/15/24/852161524.db2.gz YTOKXHQFXKDJMZ-UHFFFAOYSA-N -1 3 396.834 3.642 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000436670426 852169696 /nfs/dbraw/zinc/16/96/96/852169696.db2.gz FOGMOMDBENDPEU-GOSISDBHSA-N -1 3 393.361 3.827 20 0 GHADHM COc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1[O-] ZINC000436699341 852216112 /nfs/dbraw/zinc/21/61/12/852216112.db2.gz UNLYJUOBMKLDAQ-UHFFFAOYSA-N -1 3 375.787 3.690 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCc2c(Br)ccc(Cl)c2C1 ZINC000436701741 852218703 /nfs/dbraw/zinc/21/87/03/852218703.db2.gz ZSZYVTNKYDDXTA-UHFFFAOYSA-N -1 3 382.641 3.712 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)c1cc(F)cc(Br)c1[O-])c1ccco1 ZINC000436716354 852240139 /nfs/dbraw/zinc/24/01/39/852240139.db2.gz TUXYICCLGDPFMF-IINYFYTJSA-N -1 3 399.260 3.746 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1[O-] ZINC000436720939 852245216 /nfs/dbraw/zinc/24/52/16/852245216.db2.gz KLPIQCWDKAXZCW-UHFFFAOYSA-N -1 3 397.818 3.954 20 0 GHADHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Br)cc1[O-] ZINC000436739702 852257862 /nfs/dbraw/zinc/25/78/62/852257862.db2.gz QGKDBHWJMZTPHW-CQSZACIVSA-N -1 3 395.322 3.783 20 0 GHADHM COc1ccc(C(=O)N2CCc3c(Br)cc(C)cc3C2)c([O-])c1 ZINC000436743873 852262089 /nfs/dbraw/zinc/26/20/89/852262089.db2.gz YZZCQZWONLQACD-UHFFFAOYSA-N -1 3 376.250 3.670 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(COc2cccc(F)c2)c1 ZINC000473848616 852264361 /nfs/dbraw/zinc/26/43/61/852264361.db2.gz HIGDPPLAYMNXCG-IBGZPJMESA-N -1 3 381.407 3.654 20 0 GHADHM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436745512 852267231 /nfs/dbraw/zinc/26/72/31/852267231.db2.gz VHOKNXJOFQUPTF-OAQYLSRUSA-N -1 3 386.536 3.919 20 0 GHADHM Cc1nc2cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)ccc2n1-c1ccccc1 ZINC000473848732 852267925 /nfs/dbraw/zinc/26/79/25/852267925.db2.gz SYUXEGGMNLVJJH-FQEVSTJZSA-N -1 3 387.443 3.583 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436734789 852275851 /nfs/dbraw/zinc/27/58/51/852275851.db2.gz CUKJKLZNSPEVFN-BSIFCXSSSA-N -1 3 380.488 3.806 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928282839 852279965 /nfs/dbraw/zinc/27/99/65/852279965.db2.gz SEYNCGKCGBZBNV-NSHDSACASA-N -1 3 381.295 3.706 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436771935 852304363 /nfs/dbraw/zinc/30/43/63/852304363.db2.gz BXVAJBHGYPENDA-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM CC(C)(C)Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000436778193 852311647 /nfs/dbraw/zinc/31/16/47/852311647.db2.gz QMYQJBMLLVMYOX-HNNXBMFYSA-N -1 3 387.505 3.681 20 0 GHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1cc(Cl)ccc1Cl ZINC000426730659 852324172 /nfs/dbraw/zinc/32/41/72/852324172.db2.gz AQVMIUOIFLNVET-KRWDZBQOSA-N -1 3 379.287 3.989 20 0 GHADHM COc1ccc(Br)cc1[C@@H](NCc1cccc2[nH]ccc21)C(=O)[O-] ZINC000426732657 852327542 /nfs/dbraw/zinc/32/75/42/852327542.db2.gz JJWKRBVSASSTKE-QGZVFWFLSA-N -1 3 389.249 3.855 20 0 GHADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c(C)o1 ZINC000436799415 852332512 /nfs/dbraw/zinc/33/25/12/852332512.db2.gz XYASOOWFBSBWGT-UHFFFAOYSA-N -1 3 384.476 3.760 20 0 GHADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436787902 852341503 /nfs/dbraw/zinc/34/15/03/852341503.db2.gz RKRNRRMFHOJJKU-CYBMUJFWSA-N -1 3 388.489 3.517 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1 ZINC000436788763 852344015 /nfs/dbraw/zinc/34/40/15/852344015.db2.gz AZBFONYQBXYHHM-HNNXBMFYSA-N -1 3 399.466 3.905 20 0 GHADHM CCc1nn(C)cc1-c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436788279 852344382 /nfs/dbraw/zinc/34/43/82/852344382.db2.gz WKHDLUNVHFAPMJ-UHFFFAOYSA-N -1 3 376.416 3.984 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3CCCC[C@@]3(C)C(=O)[O-])cs2)cc1 ZINC000426726271 852347369 /nfs/dbraw/zinc/34/73/69/852347369.db2.gz IKNADHHCDZPXBA-YLJYHZDGSA-N -1 3 390.505 3.854 20 0 GHADHM C[C@@H]1CCc2nc(CN[C@H](Cc3c(F)cccc3Cl)C(=O)[O-])sc2C1 ZINC000426753907 852359787 /nfs/dbraw/zinc/35/97/87/852359787.db2.gz LVZIVIVDORHPDA-MEBBXXQBSA-N -1 3 382.888 3.846 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000426774535 852380273 /nfs/dbraw/zinc/38/02/73/852380273.db2.gz PCSYCUJARXCFJD-LEWJYISDSA-N -1 3 385.460 3.559 20 0 GHADHM O=C(NCCCCCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436831901 852381603 /nfs/dbraw/zinc/38/16/03/852381603.db2.gz HKBDIMUDXAYUGQ-HXUWFJFHSA-N -1 3 398.478 3.665 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1OCc1cccnc1 ZINC000426776531 852382202 /nfs/dbraw/zinc/38/22/02/852382202.db2.gz GRUDXXUWHUREFT-NRFANRHFSA-N -1 3 378.428 3.585 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436834367 852385257 /nfs/dbraw/zinc/38/52/57/852385257.db2.gz YXFRHNFDOVKTOA-UHFFFAOYSA-N -1 3 386.879 3.767 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436822638 852391524 /nfs/dbraw/zinc/39/15/24/852391524.db2.gz PZSOIVCCDYDCNJ-HTAPYJJXSA-N -1 3 394.515 3.943 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c([O-])c1 ZINC000436827196 852395457 /nfs/dbraw/zinc/39/54/57/852395457.db2.gz RWOYJEMBEGLEAA-UHFFFAOYSA-N -1 3 375.490 3.920 20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1Cl ZINC000329835226 862358837 /nfs/dbraw/zinc/35/88/37/862358837.db2.gz LIIVWNNQRCTZLQ-SFHVURJKSA-N -1 3 395.883 3.852 20 0 GHADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436857629 852444370 /nfs/dbraw/zinc/44/43/70/852444370.db2.gz BFUOJLQWKSNDBA-AUUYWEPGSA-N -1 3 382.460 3.973 20 0 GHADHM Cc1cc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)ns1 ZINC000516344631 852448818 /nfs/dbraw/zinc/44/88/18/852448818.db2.gz PLVIIPRIPCJXEI-UHFFFAOYSA-N -1 3 389.238 3.716 20 0 GHADHM CC(=O)Nc1ncccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436891199 852463608 /nfs/dbraw/zinc/46/36/08/852463608.db2.gz DWFVXKNISHEXCO-UHFFFAOYSA-N -1 3 377.400 3.577 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1COc2ccc(Cl)cc21 ZINC000489607499 852482925 /nfs/dbraw/zinc/48/29/25/852482925.db2.gz OLSKXUMHTBTIAN-ZDUSSCGKSA-N -1 3 380.791 3.986 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C(C)C)cc2)c1 ZINC000436951762 852541373 /nfs/dbraw/zinc/54/13/73/852541373.db2.gz SXSUNVCEGLAYPU-UHFFFAOYSA-N -1 3 393.443 3.994 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC[C@H](C)C3)cs2)c1 ZINC000436955165 852544222 /nfs/dbraw/zinc/54/42/22/852544222.db2.gz ZSDIHNNIGQQOPC-AWEZNQCLSA-N -1 3 387.505 3.601 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCCC[C@@H]2C)c1 ZINC000436961268 852550932 /nfs/dbraw/zinc/55/09/32/852550932.db2.gz GRDMIQHDZPOYLH-DZGCQCFKSA-N -1 3 385.464 3.887 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(Nc2nccc(Oc3ccccc3)n2)CC1 ZINC000436978331 852564513 /nfs/dbraw/zinc/56/45/13/852564513.db2.gz GUSLYZVDTAJWSB-UHFFFAOYSA-N -1 3 390.443 3.691 20 0 GHADHM CCCCOc1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000436977638 852564948 /nfs/dbraw/zinc/56/49/48/852564948.db2.gz FGGKDZGEMHFEDY-UHFFFAOYSA-N -1 3 388.430 3.575 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)c([O-])c1 ZINC000436988241 852576649 /nfs/dbraw/zinc/57/66/49/852576649.db2.gz WVPLDDRTBHBOFA-ZDUSSCGKSA-N -1 3 384.407 3.583 20 0 GHADHM O=c1nc(CN2CCc3ccc(O)cc3C2)[n-]c2scc(-c3ccco3)c21 ZINC000436991033 852580132 /nfs/dbraw/zinc/58/01/32/852580132.db2.gz WMYDMTLJDGCQCB-UHFFFAOYSA-N -1 3 379.441 3.921 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)cc3c[nH]nc32)[nH][n-]1 ZINC000522672449 862371619 /nfs/dbraw/zinc/37/16/19/862371619.db2.gz MPCZUZIMEYJFLW-UHFFFAOYSA-N -1 3 381.823 3.598 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000436991585 852582313 /nfs/dbraw/zinc/58/23/13/852582313.db2.gz ROMBTRKXQDAJTF-NFAWXSAZSA-N -1 3 385.464 3.743 20 0 GHADHM COC(=O)[C@H](Cc1ccc(C)cc1)SCc1noc(-c2ccccc2[O-])n1 ZINC000436995443 852584869 /nfs/dbraw/zinc/58/48/69/852584869.db2.gz DBWJNLJFUSLVAF-KRWDZBQOSA-N -1 3 384.457 3.768 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000437007005 852603367 /nfs/dbraw/zinc/60/33/67/852603367.db2.gz ZHEUTIPTQQWZGN-CYBMUJFWSA-N -1 3 376.250 3.565 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000437006830 852603476 /nfs/dbraw/zinc/60/34/76/852603476.db2.gz WBMMGRZPQUCVRO-INIZCTEOSA-N -1 3 397.475 3.559 20 0 GHADHM Cc1ccc(CN(CCC(=O)[O-])Cc2cccc(Br)c2)c(C)n1 ZINC000517948911 852646465 /nfs/dbraw/zinc/64/64/65/852646465.db2.gz MMHAYDQFIBZIQL-UHFFFAOYSA-N -1 3 377.282 3.938 20 0 GHADHM C/C=C\c1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000489954280 852669196 /nfs/dbraw/zinc/66/91/96/852669196.db2.gz KKBWRPBPJCBVGS-PLNGDYQASA-N -1 3 388.489 3.887 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCO[C@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000516542085 852718044 /nfs/dbraw/zinc/71/80/44/852718044.db2.gz HBNBUYYVPJHUHF-BEFAXECRSA-N -1 3 384.480 3.730 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)c4ncccc34)nc21 ZINC000509184103 862389956 /nfs/dbraw/zinc/38/99/56/862389956.db2.gz YTZHEEMGBFCUSS-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cnc(-c2ccccc2)s1 ZINC000180892246 862394276 /nfs/dbraw/zinc/39/42/76/862394276.db2.gz PFPKCIRWHJXWTR-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1Br ZINC000438759973 852811491 /nfs/dbraw/zinc/81/14/91/852811491.db2.gz UBMDUICIENOQQI-UHFFFAOYSA-N -1 3 382.279 3.883 20 0 GHADHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1OC ZINC000473858146 852922104 /nfs/dbraw/zinc/92/21/04/852922104.db2.gz PXICHZSXJDOAQN-LLVKDONJSA-N -1 3 389.926 3.637 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)[n-]n1 ZINC000180921787 862409620 /nfs/dbraw/zinc/40/96/20/862409620.db2.gz GSOBDBNPEUHPBF-UHFFFAOYSA-N -1 3 390.852 3.924 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)n[n-]1 ZINC000180921787 862409629 /nfs/dbraw/zinc/40/96/29/862409629.db2.gz GSOBDBNPEUHPBF-UHFFFAOYSA-N -1 3 390.852 3.924 20 0 GHADHM Cc1ccsc1CCCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438827807 852930651 /nfs/dbraw/zinc/93/06/51/852930651.db2.gz JYNNLONMUOIDLJ-UHFFFAOYSA-N -1 3 386.517 3.506 20 0 GHADHM O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1cn[n-]n1 ZINC000518161002 852951309 /nfs/dbraw/zinc/95/13/09/852951309.db2.gz GDUQFWYHHOJZDZ-OAHLLOKOSA-N -1 3 379.222 3.964 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(OCC(F)(F)F)cc1 ZINC000509581353 852991815 /nfs/dbraw/zinc/99/18/15/852991815.db2.gz BNNRWRZLBVQHPT-UHFFFAOYSA-N -1 3 387.379 3.754 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000507524298 853006684 /nfs/dbraw/zinc/00/66/84/853006684.db2.gz BRZGKROCMVXXIX-VIFPVBQESA-N -1 3 387.324 3.649 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1C ZINC000507564429 853055737 /nfs/dbraw/zinc/05/57/37/853055737.db2.gz ICEGPNOWIMMWCW-UHFFFAOYSA-N -1 3 375.446 3.548 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000469420909 853066287 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/nfs/dbraw/zinc/89/66/98/855896698.db2.gz MRJIEGVKRACPNT-UHFFFAOYSA-N -1 3 379.482 3.630 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000184066924 855926243 /nfs/dbraw/zinc/92/62/43/855926243.db2.gz WVNJYYPKTKQHRU-CTNGQTDRSA-N -1 3 393.483 3.583 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000181079117 862742853 /nfs/dbraw/zinc/74/28/53/862742853.db2.gz NWTMLNHRFSGDSB-UHFFFAOYSA-N -1 3 387.486 3.813 20 0 GHADHM CC(C)C[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)N1CCCCC1=O ZINC000485103996 856095730 /nfs/dbraw/zinc/09/57/30/856095730.db2.gz JLASGBZCMPEXOQ-OAHLLOKOSA-N -1 3 395.463 3.584 20 0 GHADHM COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1 ZINC000485097915 856107296 /nfs/dbraw/zinc/10/72/96/856107296.db2.gz YVMADTAFDHDRKW-LBPRGKRZSA-N -1 3 378.388 3.633 20 0 GHADHM COc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485097915 856107303 /nfs/dbraw/zinc/10/73/03/856107303.db2.gz YVMADTAFDHDRKW-LBPRGKRZSA-N -1 3 378.388 3.633 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)[C@@H]3CCCO3)cc2)cc1 ZINC000905011614 856114872 /nfs/dbraw/zinc/11/48/72/856114872.db2.gz ABHVISQBLIYHHN-BEFAXECRSA-N -1 3 388.489 3.549 20 0 GHADHM Cc1cc(C)cc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482143975 862760451 /nfs/dbraw/zinc/76/04/51/862760451.db2.gz UCTNAACFSACRPD-UHFFFAOYSA-N -1 3 387.281 3.799 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000436737548 856186875 /nfs/dbraw/zinc/18/68/75/856186875.db2.gz JKBXIVOIOQGAHA-ZDUSSCGKSA-N -1 3 389.835 3.706 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)c(C)c1C ZINC000031777017 856190083 /nfs/dbraw/zinc/19/00/83/856190083.db2.gz FQTWMVWQGPDJDW-UHFFFAOYSA-N -1 3 384.505 3.825 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000436754362 856217126 /nfs/dbraw/zinc/21/71/26/856217126.db2.gz IEIFUYFEWOXJAP-UHFFFAOYSA-N -1 3 379.334 3.945 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H](C)C(C)(C)C)cs2)c1 ZINC000760879180 856226166 /nfs/dbraw/zinc/22/61/66/856226166.db2.gz BZIUXLBOBOBYEO-ZDUSSCGKSA-N -1 3 389.521 3.750 20 0 GHADHM COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc(C)c2[O-])cc1OC ZINC000195263074 856290156 /nfs/dbraw/zinc/29/01/56/856290156.db2.gz RIKHPBSOUNXVCD-UHFFFAOYSA-N -1 3 381.432 3.523 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000485392608 856435094 /nfs/dbraw/zinc/43/50/94/856435094.db2.gz VETPPHANCZRDBI-SFHVURJKSA-N -1 3 379.453 3.801 20 0 GHADHM COCCC[C@H](CNC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC000436817491 856462098 /nfs/dbraw/zinc/46/20/98/856462098.db2.gz HZVNEOIARPWWIO-CQSZACIVSA-N -1 3 391.851 3.715 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000046065737 856466063 /nfs/dbraw/zinc/46/60/63/856466063.db2.gz HBTKCMDQWCWAOS-FLIBITNWSA-N -1 3 390.399 3.559 20 0 GHADHM CC(C)(NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccs1 ZINC000482206978 862808407 /nfs/dbraw/zinc/80/84/07/862808407.db2.gz GQQJLBSUHVBCLQ-UHFFFAOYSA-N -1 3 379.283 3.637 20 0 GHADHM Cc1nn(-c2cccc(C)c2)cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905749451 856503268 /nfs/dbraw/zinc/50/32/68/856503268.db2.gz IPNUYILMALFTLX-HNNXBMFYSA-N -1 3 382.489 3.633 20 0 GHADHM Cc1noc(C[C@H]2CCCN(Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2)n1 ZINC000905775258 856543022 /nfs/dbraw/zinc/54/30/22/856543022.db2.gz LNGNKDFGEBHEQJ-OAHLLOKOSA-N -1 3 381.432 3.791 20 0 GHADHM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)c2)n1 ZINC000592003713 856566879 /nfs/dbraw/zinc/56/68/79/856566879.db2.gz UKYZHXSVBPFBEY-OAHLLOKOSA-N -1 3 383.473 3.613 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)N=c2cc3ccc(Br)cn3[n-]2)o1 ZINC000482215536 862815107 /nfs/dbraw/zinc/81/51/07/862815107.db2.gz UWIINICODCGHJJ-LLVKDONJSA-N -1 3 391.269 3.563 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2c(s1)-c1ccccc1CC2 ZINC000482220697 862819941 /nfs/dbraw/zinc/81/99/41/862819941.db2.gz NKCPBHFILSJGES-UHFFFAOYSA-N -1 3 378.379 3.581 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482219681 862820258 /nfs/dbraw/zinc/82/02/58/862820258.db2.gz WSRFXVUTZFIXOU-UHFFFAOYSA-N -1 3 385.777 3.528 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)on1 ZINC000036562163 862821123 /nfs/dbraw/zinc/82/11/23/862821123.db2.gz PGVGJNWXKZFBAD-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(OC)c(C)c1OC ZINC000507921618 856666894 /nfs/dbraw/zinc/66/68/94/856666894.db2.gz XZPJEHWICMFMEP-UHFFFAOYSA-N -1 3 399.896 3.659 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000507902911 856673814 /nfs/dbraw/zinc/67/38/14/856673814.db2.gz CBYORLWLWGWMRE-UHFFFAOYSA-N -1 3 375.881 3.819 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(Nc2ncccn2)c1 ZINC000674745192 856758623 /nfs/dbraw/zinc/75/86/23/856758623.db2.gz RWXDFTALTYZYRZ-UHFFFAOYSA-N -1 3 385.221 3.941 20 0 GHADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(SC)c(Cl)c1)c1ccccc1 ZINC000507987361 856776830 /nfs/dbraw/zinc/77/68/30/856776830.db2.gz SMURQEFJAVAIQG-AWEZNQCLSA-N -1 3 399.921 3.760 20 0 GHADHM O=c1cc(-c2nc(-c3ccc4c(c3)CO[C@@H]4c3ccc(F)cc3)no2)nc[n-]1 ZINC001212360404 856862718 /nfs/dbraw/zinc/86/27/18/856862718.db2.gz CZRAYGLFLCFOKW-GOSISDBHSA-N -1 3 376.347 3.658 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cn1 ZINC000509210967 862846401 /nfs/dbraw/zinc/84/64/01/862846401.db2.gz LLGMKHZMSIWVKC-ZDUSSCGKSA-N -1 3 398.328 3.991 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000482244429 862846733 /nfs/dbraw/zinc/84/67/33/862846733.db2.gz NQQRYLLNJFBCFS-UWVGGRQHSA-N -1 3 379.169 3.550 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cccc2cnccc21 ZINC000508071829 856889927 /nfs/dbraw/zinc/88/99/27/856889927.db2.gz BZWCHAWJDUSMEV-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)cc1Cl ZINC000111367984 856899428 /nfs/dbraw/zinc/89/94/28/856899428.db2.gz YATWDVKGSZUSHJ-YPMLDQLKSA-N -1 3 396.871 3.649 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(Cc2ccccc2)n1 ZINC000046760433 856917635 /nfs/dbraw/zinc/91/76/35/856917635.db2.gz UCQSAZYWAQHIAS-UHFFFAOYSA-N -1 3 379.470 3.900 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc3ncccc32)c(Cl)c1 ZINC000508117023 856944141 /nfs/dbraw/zinc/94/41/41/856944141.db2.gz MBSJVBCSNLINKA-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc3c(s1)C[C@H](C)CC3)c2=O ZINC000485876921 857177955 /nfs/dbraw/zinc/17/79/55/857177955.db2.gz QCEAEVJDKBWBQE-SECBINFHSA-N -1 3 387.436 3.509 20 0 GHADHM O=S1(=O)[N-]C(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)=Nc2ccccc21 ZINC000485879488 857182058 /nfs/dbraw/zinc/18/20/58/857182058.db2.gz FMYRLRANAQQBAX-QWFCFKBJSA-N -1 3 395.528 3.667 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)c(=O)[n-]1 ZINC000041614966 857234659 /nfs/dbraw/zinc/23/46/59/857234659.db2.gz INFJUDLMHFEBCD-QFIPXVFZSA-N -1 3 387.439 3.581 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc2c(cccc2Cl)s1 ZINC001128205230 857239293 /nfs/dbraw/zinc/23/92/93/857239293.db2.gz IEKHBXWNDIOJQA-UHFFFAOYSA-N -1 3 392.820 3.708 20 0 GHADHM CC(C)c1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000046333373 857304830 /nfs/dbraw/zinc/30/48/30/857304830.db2.gz PGAYIKPYPZMXCR-LJQANCHMSA-N -1 3 395.455 3.546 20 0 GHADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1nscc1Br ZINC000593087668 857320461 /nfs/dbraw/zinc/32/04/61/857320461.db2.gz NNZVTAQZIAZSKW-UHFFFAOYSA-N -1 3 387.280 3.883 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000059120625 857390931 /nfs/dbraw/zinc/39/09/31/857390931.db2.gz MHVXCJQTNKFXOC-UHFFFAOYSA-N -1 3 389.242 3.628 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc2c(c1)CCC2 ZINC000442212061 857606003 /nfs/dbraw/zinc/60/60/03/857606003.db2.gz GWCXPGLMWGZNEB-NHCUHLMSSA-N -1 3 387.501 3.658 20 0 GHADHM CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000063583066 857629078 /nfs/dbraw/zinc/62/90/78/857629078.db2.gz BRXHEJYWQDXMKH-UHFFFAOYSA-N -1 3 397.880 3.637 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C ZINC000063849514 857667852 /nfs/dbraw/zinc/66/78/52/857667852.db2.gz USUYLNVVRFGVQY-UHFFFAOYSA-N -1 3 393.505 3.746 20 0 GHADHM O=C([N-]c1cc(Cl)ccc1OC[C@H]1CCOC1)c1nnc(-c2ccco2)o1 ZINC000907539548 857676793 /nfs/dbraw/zinc/67/67/93/857676793.db2.gz IUPSURXEVCNITJ-NSHDSACASA-N -1 3 389.795 3.651 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)ccc1F ZINC000471583079 857703860 /nfs/dbraw/zinc/70/38/60/857703860.db2.gz UFITULXSTZJNQM-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1cc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)nn1C ZINC000676055885 857719736 /nfs/dbraw/zinc/71/97/36/857719736.db2.gz YGOIFLKIELMYCR-UHFFFAOYSA-N -1 3 386.868 3.509 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)C(=O)c1ccccc1 ZINC000676056110 857719979 /nfs/dbraw/zinc/71/99/79/857719979.db2.gz WEUXHEYJFXPHHB-LBPRGKRZSA-N -1 3 376.250 3.680 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1OCCC(C)C ZINC000070731153 857734712 /nfs/dbraw/zinc/73/47/12/857734712.db2.gz CSJHTNBVUJHJDX-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1OCCC(C)C ZINC000070731153 857734714 /nfs/dbraw/zinc/73/47/14/857734714.db2.gz CSJHTNBVUJHJDX-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM CC(C)[C@@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000046445701 857795413 /nfs/dbraw/zinc/79/54/13/857795413.db2.gz LVWROYJWAPGBMT-CYBMUJFWSA-N -1 3 384.517 3.552 20 0 GHADHM C[C@H]1COc2ccccc2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000543008678 857806399 /nfs/dbraw/zinc/80/63/99/857806399.db2.gz BKUXIGPBEVWANS-LBPRGKRZSA-N -1 3 391.265 3.647 20 0 GHADHM O=C(NCC1(c2ccc(F)cc2)CCCCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065821057 857806448 /nfs/dbraw/zinc/80/64/48/857806448.db2.gz WZGJPIBBPAYMFO-UHFFFAOYSA-N -1 3 395.434 3.733 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065770449 857848021 /nfs/dbraw/zinc/84/80/21/857848021.db2.gz FIIQFNPPTZKLTK-UHFFFAOYSA-N -1 3 387.395 3.793 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n[nH]1 ZINC000486613561 857900245 /nfs/dbraw/zinc/90/02/45/857900245.db2.gz ZWTALVSOJMPATH-DTWKUNHWSA-N -1 3 394.394 3.516 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc(OC)c1[O-] ZINC000486603773 857906171 /nfs/dbraw/zinc/90/61/71/857906171.db2.gz HPYVTJUGEDDPMY-HNNXBMFYSA-N -1 3 393.386 3.818 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCCC3)ccc1F ZINC000031874345 857992806 /nfs/dbraw/zinc/99/28/06/857992806.db2.gz WYMITICQLLOVLJ-UHFFFAOYSA-N -1 3 390.480 3.644 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1)C1CC1 ZINC000521436403 857993919 /nfs/dbraw/zinc/99/39/19/857993919.db2.gz VWSSYDORRJYELN-OAHLLOKOSA-N -1 3 384.548 3.769 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000521465779 858022348 /nfs/dbraw/zinc/02/23/48/858022348.db2.gz FDWDCNDOKBEXNZ-UHFFFAOYSA-N -1 3 377.448 3.811 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000521465779 858022352 /nfs/dbraw/zinc/02/23/52/858022352.db2.gz FDWDCNDOKBEXNZ-UHFFFAOYSA-N -1 3 377.448 3.811 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(O[C@@H]2CCOC2)cc1 ZINC000574515728 858065156 /nfs/dbraw/zinc/06/51/56/858065156.db2.gz JFEZKOKPLXHKSM-CQSZACIVSA-N -1 3 378.222 3.575 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000605320021 862986952 /nfs/dbraw/zinc/98/69/52/862986952.db2.gz XSPJSCBHPGHRTM-CQSZACIVSA-N -1 3 395.349 3.650 20 0 GHADHM CC[C@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)N1CCc2ccccc2C1 ZINC000442863338 858183700 /nfs/dbraw/zinc/18/37/00/858183700.db2.gz CJTKVXMHFUAIAZ-QGZVFWFLSA-N -1 3 388.895 3.621 20 0 GHADHM Cc1cc2c(o1)c(C(=O)Nc1cccc(-c3nnn[n-]3)c1)ccc2Br ZINC000442873526 858190268 /nfs/dbraw/zinc/19/02/68/858190268.db2.gz PMAPDGVMHZMWTC-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc2c(o1)c(C(=O)Nc1cccc(-c3nn[n-]n3)c1)ccc2Br ZINC000442873526 858190272 /nfs/dbraw/zinc/19/02/72/858190272.db2.gz PMAPDGVMHZMWTC-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)[nH][n-]2)c1 ZINC000521649979 858203767 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GHADHM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000443235441 858492365 /nfs/dbraw/zinc/49/23/65/858492365.db2.gz JPGVOPRLFZADLX-QGZVFWFLSA-N -1 3 388.514 3.602 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(OC2CCCC2)CC1 ZINC000522008487 858533428 /nfs/dbraw/zinc/53/34/28/858533428.db2.gz QWYOEVOBKMKGCB-QGZVFWFLSA-N -1 3 382.298 3.998 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC[C@H]1O ZINC000443375111 858615390 /nfs/dbraw/zinc/61/53/90/858615390.db2.gz NGXPRZKTQKSXLK-ZIAGYGMSSA-N -1 3 385.835 3.578 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000443399106 858640855 /nfs/dbraw/zinc/64/08/55/858640855.db2.gz QFWKWWJKKCLVRG-NSHDSACASA-N -1 3 380.366 3.903 20 0 GHADHM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2cccc(C3CCCC3)c2)C1=O ZINC000665330699 858708639 /nfs/dbraw/zinc/70/86/39/858708639.db2.gz CUYKTIBTCFWOOO-VXKWHMMOSA-N -1 3 392.499 3.861 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194498424 858860449 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GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(C)c1 ZINC000184875318 859012626 /nfs/dbraw/zinc/01/26/26/859012626.db2.gz AAYZGIJUEIFLJW-INIZCTEOSA-N -1 3 393.480 3.967 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)c1Cl ZINC000543250498 859043216 /nfs/dbraw/zinc/04/32/16/859043216.db2.gz UWWLKPPHMCAKEJ-AWEZNQCLSA-N -1 3 388.316 3.574 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000483000029 859060273 /nfs/dbraw/zinc/06/02/73/859060273.db2.gz NVTBVNNVABMSMD-ZDUSSCGKSA-N -1 3 387.793 3.818 20 0 GHADHM Cc1cc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)nc(C(C)C)n1 ZINC000011010157 859067159 /nfs/dbraw/zinc/06/71/59/859067159.db2.gz QLWVRHMNCDVPCK-UHFFFAOYSA-N -1 3 390.487 3.730 20 0 GHADHM CCOCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761195402 859076463 /nfs/dbraw/zinc/07/64/63/859076463.db2.gz WWDDVPSFANZNHQ-UHFFFAOYSA-N -1 3 395.452 3.518 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c(=O)[n-]1 ZINC000543278170 859111662 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O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000483540971 859438255 /nfs/dbraw/zinc/43/82/55/859438255.db2.gz ITQLJDLJSNDTLX-NKSUMMKUSA-N -1 3 393.413 3.991 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483559005 859450032 /nfs/dbraw/zinc/45/00/32/859450032.db2.gz MFDHLKIJSQOSQG-AWEZNQCLSA-N -1 3 383.418 3.685 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)ccc1Cl ZINC000543687177 859451972 /nfs/dbraw/zinc/45/19/72/859451972.db2.gz GWCJTLNJBIPGFK-GDBMZVCRSA-N -1 3 387.835 3.817 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483563975 859452124 /nfs/dbraw/zinc/45/21/24/859452124.db2.gz VTWUWSWXODAZLU-MRVPVSSYSA-N -1 3 395.307 3.745 20 0 GHADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccccc2)CCCC1 ZINC000483570773 859467494 /nfs/dbraw/zinc/46/74/94/859467494.db2.gz GIWLRWULUVMWJE-LBPRGKRZSA-N -1 3 381.402 3.523 20 0 GHADHM C[C@H](Sc1ncnc2[nH]cnc21)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114094720 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GHADHM Cc1nc(C)c(CC(=O)OCc2cccc(Cl)c2Br)c(=O)[n-]1 ZINC000922340963 859672440 /nfs/dbraw/zinc/67/24/40/859672440.db2.gz ITMQYZUCWMVGMH-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM O=C([O-])CC[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000417592595 859700584 /nfs/dbraw/zinc/70/05/84/859700584.db2.gz FENQWBJHIMSBRG-HNNXBMFYSA-N -1 3 392.249 3.874 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000922361784 859784165 /nfs/dbraw/zinc/78/41/65/859784165.db2.gz VRBXRBPJLOBLIO-UHFFFAOYSA-N -1 3 376.457 3.594 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000669626824 859821920 /nfs/dbraw/zinc/82/19/20/859821920.db2.gz HYGFECAQULZMHL-SFHVURJKSA-N -1 3 396.462 3.805 20 0 GHADHM Cc1ccc(NC(=O)Cc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000481259166 859877805 /nfs/dbraw/zinc/87/78/05/859877805.db2.gz PJBLPBUVVDTUKI-UHFFFAOYSA-N -1 3 388.420 3.709 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000118678669 859897256 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O=S(=O)(Cc1ccc(Oc2ccccc2F)c(F)c1)c1nnc(C2CC2)[n-]1 ZINC000154252411 860037663 /nfs/dbraw/zinc/03/76/63/860037663.db2.gz WKEAAVYDLUKNAV-UHFFFAOYSA-N -1 3 391.399 3.727 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000727350498 860050075 /nfs/dbraw/zinc/05/00/75/860050075.db2.gz ONXANEMCXCNPPP-BQYQJAHWSA-N -1 3 377.775 3.671 20 0 GHADHM O=C([O-])C[C@H](CCc1ccccc1)NCc1ncc(Br)cc1F ZINC000904040828 860060097 /nfs/dbraw/zinc/06/00/97/860060097.db2.gz VVNWWAUAZCDBPH-AWEZNQCLSA-N -1 3 381.245 3.549 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)cc(Br)c1O ZINC000904042346 860060601 /nfs/dbraw/zinc/06/06/01/860060601.db2.gz CXTMKMSLQQCLDM-HNNXBMFYSA-N -1 3 394.265 3.777 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H]1c1cccc(Br)c1 ZINC000436558914 860080404 /nfs/dbraw/zinc/08/04/04/860080404.db2.gz RNRMWMYIZJSMNZ-AWEZNQCLSA-N -1 3 390.233 3.861 20 0 GHADHM CN1C(=O)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000525928539 860135476 /nfs/dbraw/zinc/13/54/76/860135476.db2.gz XDOUVHFKZIFGPZ-RXVVDRJESA-N -1 3 394.858 3.901 20 0 GHADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000598202132 860148176 /nfs/dbraw/zinc/14/81/76/860148176.db2.gz APYJYRZFTBMQGK-INIZCTEOSA-N -1 3 383.444 3.877 20 0 GHADHM COc1ccc(F)cc1CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471627909 860148407 /nfs/dbraw/zinc/14/84/07/860148407.db2.gz OJXWWSYUIUSOII-UHFFFAOYSA-N -1 3 394.446 3.651 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000598204659 860149635 /nfs/dbraw/zinc/14/96/35/860149635.db2.gz WYLWFXHGTLZOGV-OAHLLOKOSA-N -1 3 395.459 3.535 20 0 GHADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(OC2CCCC2)c1 ZINC000484593714 860153712 /nfs/dbraw/zinc/15/37/12/860153712.db2.gz YDEMBOKBYYRTBY-UHFFFAOYSA-N -1 3 382.420 3.955 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000526890749 860162221 /nfs/dbraw/zinc/16/22/21/860162221.db2.gz ZEUUHUCWURNWIM-OAQYLSRUSA-N -1 3 388.467 3.509 20 0 GHADHM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527165597 860169445 /nfs/dbraw/zinc/16/94/45/860169445.db2.gz ATSMCBQGSCZXAQ-JOCHJYFZSA-N -1 3 390.483 3.657 20 0 GHADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000727681993 860180506 /nfs/dbraw/zinc/18/05/06/860180506.db2.gz RXUIJLTTWFVDTG-VIFPVBQESA-N -1 3 378.675 3.605 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527467291 860181511 /nfs/dbraw/zinc/18/15/11/860181511.db2.gz JYQVOODKMUEEAN-UHFFFAOYSA-N -1 3 376.456 3.938 20 0 GHADHM CC(C)c1ccc(OCCNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904211297 860211959 /nfs/dbraw/zinc/21/19/59/860211959.db2.gz JQNOVOUREPNCHC-UHFFFAOYSA-N -1 3 386.492 3.873 20 0 GHADHM Cc1ccc(N2CCCN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CC2)cc1 ZINC000904189705 860214999 /nfs/dbraw/zinc/21/49/99/860214999.db2.gz XHXNMVGBSJJAMT-UHFFFAOYSA-N -1 3 397.519 3.601 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(C)c1 ZINC000021087139 860224885 /nfs/dbraw/zinc/22/48/85/860224885.db2.gz INMBJEYOCGINPF-UHFFFAOYSA-N -1 3 378.457 3.814 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602744440 860233538 /nfs/dbraw/zinc/23/35/38/860233538.db2.gz PSWKNHNXWBRIHW-SMDDNHRTSA-N -1 3 377.282 3.989 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H]1c1ccccn1 ZINC000602754145 860258808 /nfs/dbraw/zinc/25/88/08/860258808.db2.gz LRQFKHFQIYJNJZ-QGZVFWFLSA-N -1 3 398.260 3.663 20 0 GHADHM CCc1nc(C(=O)[N-]c2c(Cl)cncc2Cl)nn1-c1ccccc1Cl ZINC001126989745 860373366 /nfs/dbraw/zinc/37/33/66/860373366.db2.gz DSQPRKOMHZFCNZ-UHFFFAOYSA-N -1 3 396.665 3.859 20 0 GHADHM CCc1c(NC(=O)c2cc3c(cc2[O-])OCO3)cnn1-c1ccccc1Cl ZINC000436593994 860377014 /nfs/dbraw/zinc/37/70/14/860377014.db2.gz CZFCQKIVQAVHFZ-UHFFFAOYSA-N -1 3 385.807 3.775 20 0 GHADHM CCc1ccc(Cl)c(CC)c1NC(=O)CCCSCCc1nnn[n-]1 ZINC000603338035 860666039 /nfs/dbraw/zinc/66/60/39/860666039.db2.gz QFQPKPHGAWVFRP-UHFFFAOYSA-N -1 3 381.933 3.673 20 0 GHADHM CCc1ccc(Cl)c(CC)c1NC(=O)CCCSCCc1nn[n-]n1 ZINC000603338035 860666042 /nfs/dbraw/zinc/66/60/42/860666042.db2.gz QFQPKPHGAWVFRP-UHFFFAOYSA-N -1 3 381.933 3.673 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000114451858 881577502 /nfs/dbraw/zinc/57/75/02/881577502.db2.gz QXDIZBHOBCXBIW-UHFFFAOYSA-N -1 3 398.507 3.836 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000625046538 860774289 /nfs/dbraw/zinc/77/42/89/860774289.db2.gz KYQQOAUPYFYQJQ-HNNXBMFYSA-N -1 3 381.407 3.910 20 0 GHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccsc2C(F)(F)F)s1 ZINC000599131959 860810447 /nfs/dbraw/zinc/81/04/47/860810447.db2.gz CCIMSUPXRWVSCV-UHFFFAOYSA-N -1 3 397.425 3.526 20 0 GHADHM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)C[C@@H](C)OC)cc1F ZINC000509074495 860818406 /nfs/dbraw/zinc/81/84/06/860818406.db2.gz JUUKTYHHWKEQCN-CYBMUJFWSA-N -1 3 383.441 3.712 20 0 GHADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)n1 ZINC000522475604 860979969 /nfs/dbraw/zinc/97/99/69/860979969.db2.gz MRZKRDIFLJSHLV-NSHDSACASA-N -1 3 393.852 3.863 20 0 GHADHM Cc1nc(C2(NCc3nc4c5ccccc5oc4c(=O)[n-]3)CCCCC2)no1 ZINC000329199546 861129044 /nfs/dbraw/zinc/12/90/44/861129044.db2.gz VVXHIQZKMUZTEU-UHFFFAOYSA-N -1 3 379.420 3.722 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCC[C@H]3CCC(C)C)c(=O)c2c(OC)c1 ZINC000625208071 861163077 /nfs/dbraw/zinc/16/30/77/861163077.db2.gz BXBGMODOIMSFIY-YOEHRIQHSA-N -1 3 386.492 3.880 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000605496379 863115191 /nfs/dbraw/zinc/11/51/91/863115191.db2.gz NTKHOGCOCIEPOB-VIFPVBQESA-N -1 3 398.843 3.562 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000247983296 863253951 /nfs/dbraw/zinc/25/39/51/863253951.db2.gz HWNFGIHUPGEDFA-MNEFBYGVSA-N -1 3 382.435 3.943 20 0 GHADHM C[C@@H](CCCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281776913 863371263 /nfs/dbraw/zinc/37/12/63/863371263.db2.gz RGFYMDMNSHWATM-HNNXBMFYSA-N -1 3 384.442 3.563 20 0 GHADHM O=C(NCCOC1CCCCCC1)NCc1ccc([O-])c(Br)c1 ZINC000482611190 863397341 /nfs/dbraw/zinc/39/73/41/863397341.db2.gz DNVAEBRMXAANOT-UHFFFAOYSA-N -1 3 385.302 3.693 20 0 GHADHM Cc1[nH]c2c(cccc2C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000522815289 863439253 /nfs/dbraw/zinc/43/92/53/863439253.db2.gz LTAHFJBDLTZUDC-UHFFFAOYSA-N -1 3 391.471 3.525 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC000281927637 863497612 /nfs/dbraw/zinc/49/76/12/863497612.db2.gz RHIXGWWYDWQFSO-KRWDZBQOSA-N -1 3 397.441 3.546 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000606536849 863695576 /nfs/dbraw/zinc/69/55/76/863695576.db2.gz QUGQOKZPPYEXGM-QFIPXVFZSA-N -1 3 376.431 3.952 20 0 GHADHM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)[C@@H](C)CO1 ZINC000499242327 881685817 /nfs/dbraw/zinc/68/58/17/881685817.db2.gz FXOOAXXKYSQQEZ-ORAYPTAESA-N -1 3 398.409 3.717 20 0 GHADHM O=C(NCc1cccc(COCc2ccco2)c1)NCc1ccc([O-])c(F)c1 ZINC000606637473 863727684 /nfs/dbraw/zinc/72/76/84/863727684.db2.gz OXHKFGHZQUXHFL-UHFFFAOYSA-N -1 3 384.407 3.841 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444240977 863742016 /nfs/dbraw/zinc/74/20/16/863742016.db2.gz FBBMGRIMWKQGKP-UHFFFAOYSA-N -1 3 382.729 3.897 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606717906 863798826 /nfs/dbraw/zinc/79/88/26/863798826.db2.gz CYADZTLQVAQQNL-OAHLLOKOSA-N -1 3 383.467 3.657 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(=O)[n-]1 ZINC000121202787 863841975 /nfs/dbraw/zinc/84/19/75/863841975.db2.gz IAQLTUNTTRITLN-UHFFFAOYSA-N -1 3 388.427 3.766 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc(Br)ccc1F ZINC000522974296 863843854 /nfs/dbraw/zinc/84/38/54/863843854.db2.gz HKMLLFFVPWZVKH-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000103073563 863884782 /nfs/dbraw/zinc/88/47/82/863884782.db2.gz VRBDMJSQZJHXQN-SNVBAGLBSA-N -1 3 391.353 3.620 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000103073563 863884787 /nfs/dbraw/zinc/88/47/87/863884787.db2.gz VRBDMJSQZJHXQN-SNVBAGLBSA-N -1 3 391.353 3.620 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000103073563 863884790 /nfs/dbraw/zinc/88/47/90/863884790.db2.gz VRBDMJSQZJHXQN-SNVBAGLBSA-N -1 3 391.353 3.620 20 0 GHADHM CC(C)[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000103188247 863907116 /nfs/dbraw/zinc/90/71/16/863907116.db2.gz HXMZCTPSELYFPR-OAQYLSRUSA-N -1 3 380.488 3.507 20 0 GHADHM C[C@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@@H](c1ccccc1)N(C)C ZINC000480044711 863916405 /nfs/dbraw/zinc/91/64/05/863916405.db2.gz JYEOFKIVVJPGEQ-WFASDCNBSA-N -1 3 387.534 3.501 20 0 GHADHM C[C@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@H](c1ccccc1)N(C)C ZINC000480044710 863916562 /nfs/dbraw/zinc/91/65/62/863916562.db2.gz JYEOFKIVVJPGEQ-SWLSCSKDSA-N -1 3 387.534 3.501 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H](C(F)(F)F)C1 ZINC000606931982 863918159 /nfs/dbraw/zinc/91/81/59/863918159.db2.gz HDPSWDNITZHNPD-GOSISDBHSA-N -1 3 379.378 3.581 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1F ZINC000158877772 863977130 /nfs/dbraw/zinc/97/71/30/863977130.db2.gz PWJJJDRIIXYPKN-UHFFFAOYSA-N -1 3 383.420 3.544 20 0 GHADHM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000184218543 864245469 /nfs/dbraw/zinc/24/54/69/864245469.db2.gz YCQYIFHQOHETHV-VOTSOKGWSA-N -1 3 395.271 3.987 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCOCC1)c1cccc(Cl)c1F ZINC000734505904 864266729 /nfs/dbraw/zinc/26/67/29/864266729.db2.gz VONIFLDVQMSCDR-GOSISDBHSA-N -1 3 383.872 3.925 20 0 GHADHM CC1CCN(c2nc3ccccc3nc2NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000480282164 864421361 /nfs/dbraw/zinc/42/13/61/864421361.db2.gz XJDJCTMTBMXXJB-UHFFFAOYSA-N -1 3 391.401 3.615 20 0 GHADHM O=S(=O)([N-]Cc1csc(Br)c1)c1ccc(Cl)cc1F ZINC000030444751 864430587 /nfs/dbraw/zinc/43/05/87/864430587.db2.gz UVJDSJPAWMECKR-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CC(C)c1c(C(=O)N2CCCc3c(=O)[n-]cnc32)cnn1-c1cccc(Cl)c1 ZINC000825592296 864445808 /nfs/dbraw/zinc/44/58/08/864445808.db2.gz KHASSDQZPBAWLL-UHFFFAOYSA-N -1 3 397.866 3.738 20 0 GHADHM COc1cccc(N2CC[C@@H](CNC(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)c1 ZINC000621826886 864473942 /nfs/dbraw/zinc/47/39/42/864473942.db2.gz CRMBAHHPDGBGCA-ZDUSSCGKSA-N -1 3 394.393 3.676 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)cc1C ZINC000607616253 864560914 /nfs/dbraw/zinc/56/09/14/864560914.db2.gz JOAUFHPZPPDYNK-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C)CCC(C)CC2)cc1Cl ZINC000104739764 864589161 /nfs/dbraw/zinc/58/91/61/864589161.db2.gz WHOMQJFHDQCYED-UHFFFAOYSA-N -1 3 376.881 3.685 20 0 GHADHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000480404380 864612219 /nfs/dbraw/zinc/61/22/19/864612219.db2.gz WMAVBQZPANXVOB-UHFFFAOYSA-N -1 3 383.407 3.718 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000607685119 864639910 /nfs/dbraw/zinc/63/99/10/864639910.db2.gz MHECCVDTLFYNOY-SUMWQHHRSA-N -1 3 397.272 3.652 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CCC(C)(C)C)cc1OC ZINC000523013685 864655042 /nfs/dbraw/zinc/65/50/42/864655042.db2.gz IOSBJNWNFHFUJZ-CYBMUJFWSA-N -1 3 385.530 3.793 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1Br)c1nccs1 ZINC000156274013 864851220 /nfs/dbraw/zinc/85/12/20/864851220.db2.gz PBENNVWDGPIOSN-JTQLQIEISA-N -1 3 375.313 3.644 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1N1CCOC1=O ZINC000173577819 864888629 /nfs/dbraw/zinc/88/86/29/864888629.db2.gz ANEKRSOLNJSURM-UHFFFAOYSA-N -1 3 378.425 3.508 20 0 GHADHM CCN(CC)C(=O)C1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000622323783 864923595 /nfs/dbraw/zinc/92/35/95/864923595.db2.gz RFPGWGXMJOOVLE-UHFFFAOYSA-N -1 3 386.414 3.712 20 0 GHADHM Cc1csc(-c2cccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC000480641362 865000983 /nfs/dbraw/zinc/00/09/83/865000983.db2.gz PFVFBGGJMYCMLC-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM CN(CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)Cc1ccccc1 ZINC000444351828 865059186 /nfs/dbraw/zinc/05/91/86/865059186.db2.gz LQLYISJACPHCEE-UHFFFAOYSA-N -1 3 395.503 3.525 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 ZINC000480690431 865095206 /nfs/dbraw/zinc/09/52/06/865095206.db2.gz RXWRDUJVRBEJQH-CQSZACIVSA-N -1 3 395.349 3.945 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc2ccccc2s1 ZINC000736189736 865152526 /nfs/dbraw/zinc/15/25/26/865152526.db2.gz BTDJFRAIQPPZEZ-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc2ccccc2s1 ZINC000736189736 865152528 /nfs/dbraw/zinc/15/25/28/865152528.db2.gz BTDJFRAIQPPZEZ-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM O=C(CCSCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cl)cc1[O-] ZINC000533971231 865156241 /nfs/dbraw/zinc/15/62/41/865156241.db2.gz LQXRGTTYONGVFO-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@@H](C)C1 ZINC000736241430 865159886 /nfs/dbraw/zinc/15/98/86/865159886.db2.gz NILGTAIKOSMCJY-GLJUWKHASA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@@H](C)C1 ZINC000736241430 865159897 /nfs/dbraw/zinc/15/98/97/865159897.db2.gz NILGTAIKOSMCJY-GLJUWKHASA-N -1 3 392.463 3.609 20 0 GHADHM CN(Cc1ccccc1NC(=O)c1cccc2n[n-]nc21)C(=O)OC(C)(C)C ZINC000783584328 865171465 /nfs/dbraw/zinc/17/14/65/865171465.db2.gz COHGCCIKBVISOG-UHFFFAOYSA-N -1 3 381.436 3.577 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736376115 865192581 /nfs/dbraw/zinc/19/25/81/865192581.db2.gz JRHMBPGRRJXWJQ-INIZCTEOSA-N -1 3 398.492 3.667 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736376115 865192594 /nfs/dbraw/zinc/19/25/94/865192594.db2.gz JRHMBPGRRJXWJQ-INIZCTEOSA-N -1 3 398.492 3.667 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1csc(-c2ccccc2)n1 ZINC000480749242 865194549 /nfs/dbraw/zinc/19/45/49/865194549.db2.gz NKYREUIRPDBWJG-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)nc21 ZINC000554962770 865221805 /nfs/dbraw/zinc/22/18/05/865221805.db2.gz YEBIKUPANUPRQM-ZDUSSCGKSA-N -1 3 393.443 3.930 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(Cl)c1 ZINC000737067156 865356890 /nfs/dbraw/zinc/35/68/90/865356890.db2.gz RTHKPNCRJPAPJW-UHFFFAOYSA-N -1 3 399.882 3.827 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c(Cl)c1 ZINC000737067156 865356906 /nfs/dbraw/zinc/35/69/06/865356906.db2.gz RTHKPNCRJPAPJW-UHFFFAOYSA-N -1 3 399.882 3.827 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(COC2CCCCC2)c1 ZINC000480845607 865373623 /nfs/dbraw/zinc/37/36/23/865373623.db2.gz RCBZBPYKGNGVCF-UHFFFAOYSA-N -1 3 397.401 3.995 20 0 GHADHM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC[C@@H]1c1ccccc1 ZINC000608467264 865374565 /nfs/dbraw/zinc/37/45/65/865374565.db2.gz CSQCVGBVIKTHKE-SLYNCCJLSA-N -1 3 392.499 3.649 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000737762024 865433361 /nfs/dbraw/zinc/43/33/61/865433361.db2.gz XZGPPWPSFAOASC-AWEZNQCLSA-N -1 3 380.897 3.674 20 0 GHADHM O=C(NCCNc1ccc2cccc(Br)c2n1)c1ccc([O-])cc1 ZINC000301596607 865445582 /nfs/dbraw/zinc/44/55/82/865445582.db2.gz GHOPSBNXMLZYIS-UHFFFAOYSA-N -1 3 386.249 3.545 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4ncccc4Cl)C3)nc2)n1 ZINC000301615834 865457631 /nfs/dbraw/zinc/45/76/31/865457631.db2.gz JIPIHYSQGMCZLX-OAHLLOKOSA-N -1 3 396.882 3.546 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC(C2CCCCC2)CC1 ZINC000738100539 865487076 /nfs/dbraw/zinc/48/70/76/865487076.db2.gz PXIBTLIOSAIJOQ-UHFFFAOYSA-N -1 3 386.475 3.508 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC(C2CCCCC2)CC1 ZINC000738100539 865487081 /nfs/dbraw/zinc/48/70/81/865487081.db2.gz PXIBTLIOSAIJOQ-UHFFFAOYSA-N -1 3 386.475 3.508 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738143454 865491655 /nfs/dbraw/zinc/49/16/55/865491655.db2.gz CUZDMKQQJKVGIX-WCQYABFASA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738143454 865491661 /nfs/dbraw/zinc/49/16/61/865491661.db2.gz CUZDMKQQJKVGIX-WCQYABFASA-N -1 3 375.766 3.541 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(Oc3ccccc3)ccn2)[nH][n-]1 ZINC000608759820 865659497 /nfs/dbraw/zinc/65/94/97/865659497.db2.gz FDVYCZWKVWPRFQ-UHFFFAOYSA-N -1 3 386.411 3.947 20 0 GHADHM Cc1sc(NC(=O)c2cc(C)ccc2N(C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000737348356 865666555 /nfs/dbraw/zinc/66/65/55/865666555.db2.gz XDLJJOLFBMMHKG-UHFFFAOYSA-N -1 3 384.509 3.950 20 0 GHADHM Cc1sc(NC(=O)c2cc(C)ccc2N(C)C(C)C)c(-c2nn[n-]n2)c1C ZINC000737348356 865666566 /nfs/dbraw/zinc/66/65/66/865666566.db2.gz XDLJJOLFBMMHKG-UHFFFAOYSA-N -1 3 384.509 3.950 20 0 GHADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000608758042 865700351 /nfs/dbraw/zinc/70/03/51/865700351.db2.gz GTLDITPWRHYPKC-SKDRFNHKSA-N -1 3 399.394 3.809 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccc(Cn2ccnc2)c1 ZINC000622891023 865703973 /nfs/dbraw/zinc/70/39/73/865703973.db2.gz AVEGUEVGOIVFLS-UHFFFAOYSA-N -1 3 377.835 3.649 20 0 GHADHM CSc1ncc(Cl)c(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)n1 ZINC000622892534 865705398 /nfs/dbraw/zinc/70/53/98/865705398.db2.gz VPOZYGZDECACTF-UHFFFAOYSA-N -1 3 380.260 3.570 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000623017897 865921342 /nfs/dbraw/zinc/92/13/42/865921342.db2.gz NRHXYZNKEPLRPF-QGZVFWFLSA-N -1 3 380.366 3.627 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000740797615 866011515 /nfs/dbraw/zinc/01/15/15/866011515.db2.gz VIGUTOYEQMCINO-ZFWWWQNUSA-N -1 3 384.517 3.601 20 0 GHADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000740896135 866086765 /nfs/dbraw/zinc/08/67/65/866086765.db2.gz XVJAKGUGWHNSBA-ZYHUDNBSSA-N -1 3 394.306 3.844 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000740928183 866112319 /nfs/dbraw/zinc/11/23/19/866112319.db2.gz HHJUQSDDAKZBQU-RHSMWYFYSA-N -1 3 376.497 3.891 20 0 GHADHM CCC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCCCC1 ZINC000456220456 866242381 /nfs/dbraw/zinc/24/23/81/866242381.db2.gz QQPPPCILZOINDM-UHFFFAOYSA-N -1 3 393.484 3.797 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc([C@H]3CCOC3)c2)[nH][n-]1 ZINC000534213577 866309294 /nfs/dbraw/zinc/30/92/94/866309294.db2.gz OKOVAFBODGRCSR-HNNXBMFYSA-N -1 3 397.862 3.917 20 0 GHADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)c(OC)c(C)c1OC ZINC000478599242 866332514 /nfs/dbraw/zinc/33/25/14/866332514.db2.gz OZNLFHNEYZCOKV-UHFFFAOYSA-N -1 3 377.412 3.827 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC(C2CCC2)C1 ZINC000552890322 866404294 /nfs/dbraw/zinc/40/42/94/866404294.db2.gz QVEAAQWQXXLREJ-UHFFFAOYSA-N -1 3 395.684 3.816 20 0 GHADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000552880323 866426019 /nfs/dbraw/zinc/42/60/19/866426019.db2.gz AKNDQAMOTQALQY-UHFFFAOYSA-N -1 3 378.457 3.999 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456326646 866442785 /nfs/dbraw/zinc/44/27/85/866442785.db2.gz ONGAVLCHDWCOAC-QHAWAJNXSA-N -1 3 379.500 3.801 20 0 GHADHM O=c1[n-]nc(SCc2coc(-c3ccc(F)cc3)n2)n1CCc1ccccc1 ZINC000026319099 866503514 /nfs/dbraw/zinc/50/35/14/866503514.db2.gz WNJFRPNTXSRJHI-UHFFFAOYSA-N -1 3 396.447 3.901 20 0 GHADHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000552936012 866534092 /nfs/dbraw/zinc/53/40/92/866534092.db2.gz JPHUVGGVJVVZFQ-MRXNPFEDSA-N -1 3 398.875 3.594 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000193084913 866615737 /nfs/dbraw/zinc/61/57/37/866615737.db2.gz OIWNXVLRYAEXLR-SNVBAGLBSA-N -1 3 392.297 3.629 20 0 GHADHM Cc1cc(Br)cc(C)c1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000478962335 866957120 /nfs/dbraw/zinc/95/71/20/866957120.db2.gz UQEGTSWLLZWMHO-UHFFFAOYSA-N -1 3 385.261 3.837 20 0 GHADHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N1c1ccccc1 ZINC000742014086 866981502 /nfs/dbraw/zinc/98/15/02/866981502.db2.gz PHWUHJNBECVHNN-LRDDRELGSA-N -1 3 378.806 3.742 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000456701490 867034060 /nfs/dbraw/zinc/03/40/60/867034060.db2.gz QANPYNVKQIAIDT-SFHVURJKSA-N -1 3 378.432 3.594 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@H]1C(C)C ZINC000553268920 867072702 /nfs/dbraw/zinc/07/27/02/867072702.db2.gz FVEQLRSSOYZSSF-LJQANCHMSA-N -1 3 390.480 3.805 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCc1ncccc1[O-] ZINC000793257801 882052194 /nfs/dbraw/zinc/05/21/94/882052194.db2.gz UHXDPIUGPIZYOS-UHFFFAOYSA-N -1 3 377.275 3.937 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000620730474 867172786 /nfs/dbraw/zinc/17/27/86/867172786.db2.gz BUXJSOWCJUAPKC-WOJBJXKFSA-N -1 3 398.478 3.711 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c1 ZINC000153978725 867188296 /nfs/dbraw/zinc/18/82/96/867188296.db2.gz DOXKBKWVKDKQPB-UHFFFAOYSA-N -1 3 390.574 3.961 20 0 GHADHM CCCc1c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cnn1-c1cccc(C)c1 ZINC000444824497 867271958 /nfs/dbraw/zinc/27/19/58/867271958.db2.gz IQUXTKIDOBEEPS-UHFFFAOYSA-N -1 3 386.459 3.593 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC(c2cccc(Cl)c2)C1 ZINC000640296789 882071614 /nfs/dbraw/zinc/07/16/14/882071614.db2.gz DOHMAXJIASTUIH-UHFFFAOYSA-N -1 3 393.196 3.805 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c([O-])c1 ZINC000534826664 867551392 /nfs/dbraw/zinc/55/13/92/867551392.db2.gz SXBHGSPRJMZGAY-UHFFFAOYSA-N -1 3 393.443 3.683 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CN(C)C)c1ccc(F)cc1 ZINC000553548108 867634995 /nfs/dbraw/zinc/63/49/95/867634995.db2.gz VTGUCNNNLFAZFZ-QGZVFWFLSA-N -1 3 394.443 3.601 20 0 GHADHM O=C([N-]c1cccc(F)c1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000154948634 867678044 /nfs/dbraw/zinc/67/80/44/867678044.db2.gz NKEAWMXDJDBSLH-UHFFFAOYSA-N -1 3 386.255 3.956 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccco1 ZINC000445042836 867695986 /nfs/dbraw/zinc/69/59/86/867695986.db2.gz UGICKMXCQBXKRT-OAQYLSRUSA-N -1 3 394.452 3.904 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)n[n-]2)o1 ZINC000479476383 867836070 /nfs/dbraw/zinc/83/60/70/867836070.db2.gz PPUNVNZTSQYSBH-STQMWFEESA-N -1 3 387.237 3.878 20 0 GHADHM Cc1ccoc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000553661554 867857273 /nfs/dbraw/zinc/85/72/73/867857273.db2.gz ODULTGCXMADULP-UHFFFAOYSA-N -1 3 398.484 3.936 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc2[nH]ncc21 ZINC000479490886 867872930 /nfs/dbraw/zinc/87/29/30/867872930.db2.gz OYEOIAKRGRROSS-UHFFFAOYSA-N -1 3 391.452 3.903 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)[nH][n-]1 ZINC000523789201 867931449 /nfs/dbraw/zinc/93/14/49/867931449.db2.gz NQVDWFJNZVWBDD-UHFFFAOYSA-N -1 3 394.519 3.611 20 0 GHADHM O=S(=O)([N-]CCc1csc2ccccc12)c1cccnc1C(F)(F)F ZINC000553799175 868208507 /nfs/dbraw/zinc/20/85/07/868208507.db2.gz JFQLNWXJSVFYTG-UHFFFAOYSA-N -1 3 386.420 3.836 20 0 GHADHM COc1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)cc(OC)c1[O-] ZINC000163247828 868218867 /nfs/dbraw/zinc/21/88/67/868218867.db2.gz SHAOAZMECORSKV-UHFFFAOYSA-N -1 3 390.505 3.886 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccnc1C(F)(F)F ZINC000553881290 868419157 /nfs/dbraw/zinc/41/91/57/868419157.db2.gz MXBVHCWRBLPDJY-GXTWGEPZSA-N -1 3 388.386 3.854 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CSc3ccccc32)[nH][n-]1 ZINC000524036013 868455098 /nfs/dbraw/zinc/45/50/98/868455098.db2.gz MIZCNRFONARVJK-AWEZNQCLSA-N -1 3 385.876 3.989 20 0 GHADHM Cc1ccc(F)c(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)c1 ZINC000445456149 868490741 /nfs/dbraw/zinc/49/07/41/868490741.db2.gz MDUOUXXXMCWQFX-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1Cc1ccccc1 ZINC000479807522 868543768 /nfs/dbraw/zinc/54/37/68/868543768.db2.gz MNBWPHGSMQZNKI-UHFFFAOYSA-N -1 3 375.354 3.736 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(C)ccc(F)c3N)nc(=O)c2c1C ZINC000920577387 882205496 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0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@H]3CNC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000744287561 868717527 /nfs/dbraw/zinc/71/75/27/868717527.db2.gz ZGYRPDGMJCFKCR-XJKSGUPXSA-N -1 3 389.452 3.828 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@H]3CNC(=O)OC(C)(C)C)[n-]n2)o1 ZINC000744287561 868717532 /nfs/dbraw/zinc/71/75/32/868717532.db2.gz ZGYRPDGMJCFKCR-XJKSGUPXSA-N -1 3 389.452 3.828 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000621120379 868754537 /nfs/dbraw/zinc/75/45/37/868754537.db2.gz MQMJBAKELSWCCR-UHFFFAOYSA-N -1 3 393.491 3.640 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000621120379 868754541 /nfs/dbraw/zinc/75/45/41/868754541.db2.gz MQMJBAKELSWCCR-UHFFFAOYSA-N -1 3 393.491 3.640 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2cnc3cnccn32)no1 ZINC000445644750 868770848 /nfs/dbraw/zinc/77/08/48/868770848.db2.gz XBHKTZQEMJJEON-UHFFFAOYSA-N -1 3 385.383 3.731 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(C)o1 ZINC000479981831 868856380 /nfs/dbraw/zinc/85/63/80/868856380.db2.gz NWCXEUDIYVMWCU-CYBMUJFWSA-N -1 3 378.277 3.951 20 0 GHADHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000744725877 869030328 /nfs/dbraw/zinc/03/03/28/869030328.db2.gz PYYCRFAMJKLJOT-SJCJKPOMSA-N -1 3 375.371 3.579 20 0 GHADHM CCCCNC(=O)C1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCCCC1 ZINC000857445325 882268716 /nfs/dbraw/zinc/26/87/16/882268716.db2.gz AHQKTQZYRZRMNX-UHFFFAOYSA-N -1 3 388.405 3.792 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cc(Cl)ccc2Cl)ccc1F ZINC000744915178 869175309 /nfs/dbraw/zinc/17/53/09/869175309.db2.gz VDYBJLVLYSKGDI-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM Cc1ccc(-c2cnc(COC(=O)CCNC(=O)c3ccc(C)cc3[O-])o2)cc1 ZINC000744922412 869181167 /nfs/dbraw/zinc/18/11/67/869181167.db2.gz PDRVMYURSWQJGB-UHFFFAOYSA-N -1 3 394.427 3.527 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000614808523 869367366 /nfs/dbraw/zinc/36/73/66/869367366.db2.gz UMJJWQDCDMHNGR-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM CC(C)(C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc2ccccc2c1 ZINC000745417963 869541850 /nfs/dbraw/zinc/54/18/50/869541850.db2.gz MUMLWVDJMSEDLH-UHFFFAOYSA-N -1 3 381.453 3.679 20 0 GHADHM Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000121915545 882312329 /nfs/dbraw/zinc/31/23/29/882312329.db2.gz HMIAYRZMDPTZQX-UHFFFAOYSA-N -1 3 397.294 3.690 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(CC(C)C)cc2)cc1[O-] ZINC000745654405 869722417 /nfs/dbraw/zinc/72/24/17/869722417.db2.gz DQCZJCRSZIRKFC-UHFFFAOYSA-N -1 3 385.416 3.809 20 0 GHADHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462700831 869916521 /nfs/dbraw/zinc/91/65/21/869916521.db2.gz COFDKKBHSPGSMY-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)noc3C(F)(F)F)c2)n1 ZINC000746017874 869948044 /nfs/dbraw/zinc/94/80/44/869948044.db2.gz NHQZQCSTEFXXLB-UHFFFAOYSA-N -1 3 392.337 3.979 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)c1 ZINC000539889654 869951355 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20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cnccc1-n1cccn1 ZINC000446814410 870415742 /nfs/dbraw/zinc/41/57/42/870415742.db2.gz KYDJYCIILDDXLS-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCc1c(Cl)cccc1Cl ZINC001212328493 870515619 /nfs/dbraw/zinc/51/56/19/870515619.db2.gz CMVFWPYFMWPQRY-UHFFFAOYSA-N -1 3 396.727 3.600 20 0 GHADHM CCCOc1cc(C)ccc1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000446850441 870541647 /nfs/dbraw/zinc/54/16/47/870541647.db2.gz ZIHFKQSWRAGAGJ-UHFFFAOYSA-N -1 3 378.476 3.938 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Cl)c(Br)c2)[n-]c1=O ZINC000193266698 870582147 /nfs/dbraw/zinc/58/21/47/870582147.db2.gz KTHSAMBHTKFYRS-RMKNXTFCSA-N -1 3 397.656 3.923 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)[C@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC001212333265 870702858 /nfs/dbraw/zinc/70/28/58/870702858.db2.gz ANQMQQXAIMBLAF-UKRRQHHQSA-N -1 3 397.846 3.985 20 0 GHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1C ZINC000446952540 870760934 /nfs/dbraw/zinc/76/09/34/870760934.db2.gz QHFMPAIPMMNAGR-UHFFFAOYSA-N -1 3 382.844 3.781 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)cc2)n1 ZINC000174283839 882443583 /nfs/dbraw/zinc/44/35/83/882443583.db2.gz YAOLLIRPRNNIAR-ZDUSSCGKSA-N -1 3 393.418 3.732 20 0 GHADHM COc1cc(Br)cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000538879505 870836067 /nfs/dbraw/zinc/83/60/67/870836067.db2.gz YOSLVIRFIKKASQ-UHFFFAOYSA-N -1 3 378.148 3.584 20 0 GHADHM COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000525510901 870872268 /nfs/dbraw/zinc/87/22/68/870872268.db2.gz CMUGEBDWTRLRHX-UHFFFAOYSA-N -1 3 397.406 3.727 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)c1cccc(OCCO)c1[O-] ZINC001193326272 871023115 /nfs/dbraw/zinc/02/31/15/871023115.db2.gz NGFXUIYSSPKFCZ-UHFFFAOYSA-N -1 3 384.819 3.731 20 0 GHADHM Cn1c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3F)cc2nc1C1CC1 ZINC000538980982 871039825 /nfs/dbraw/zinc/03/98/25/871039825.db2.gz ZIMUTDTXIFFPEK-UHFFFAOYSA-N -1 3 377.416 3.671 20 0 GHADHM C[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1nccs1 ZINC000538984392 871051213 /nfs/dbraw/zinc/05/12/13/871051213.db2.gz IURPPWKFXAJMBI-ZDUSSCGKSA-N -1 3 391.493 3.934 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000766554268 871069881 /nfs/dbraw/zinc/06/98/81/871069881.db2.gz HVEUQSZXUWBNRV-LLVKDONJSA-N -1 3 398.260 3.685 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)c1 ZINC001193436194 871084882 /nfs/dbraw/zinc/08/48/82/871084882.db2.gz DYPOBGVWJNLGSJ-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000766581300 871150064 /nfs/dbraw/zinc/15/00/64/871150064.db2.gz RJSZVHAAMFKKBM-UHFFFAOYSA-N -1 3 375.368 3.575 20 0 GHADHM C[C@H](O)COc1cccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)c1 ZINC000525713871 871279853 /nfs/dbraw/zinc/27/98/53/871279853.db2.gz WYJYGNPVPJFOIG-JTQLQIEISA-N -1 3 375.222 3.525 20 0 GHADHM COC(=O)[C@H]1CCN(C(=O)c2ccc([O-])cc2C(F)(F)F)[C@H]1c1ccccc1 ZINC001193746251 871288165 /nfs/dbraw/zinc/28/81/65/871288165.db2.gz RDHXULVFOBYTPI-RDJZCZTQSA-N -1 3 393.361 3.787 20 0 GHADHM CN1CCN(c2ccc(F)cc2NC(=O)c2ccc([O-])cc2C(F)(F)F)CC1 ZINC001193746779 871288990 /nfs/dbraw/zinc/28/89/90/871288990.db2.gz ZWQQAAVXOZQVOM-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c(F)c1 ZINC001193756046 871294894 /nfs/dbraw/zinc/29/48/94/871294894.db2.gz FAHNRHRWPWERCS-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1 ZINC001193764054 871300961 /nfs/dbraw/zinc/30/09/61/871300961.db2.gz IVBKXZSRTFIXJO-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447278047 871305669 /nfs/dbraw/zinc/30/56/69/871305669.db2.gz LHFGYUVQLPHWFF-UHFFFAOYSA-N -1 3 393.358 3.992 20 0 GHADHM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c(F)ccc([O-])c1F ZINC000540481888 871368684 /nfs/dbraw/zinc/36/86/84/871368684.db2.gz QBNFZKYJRZLFME-OAHLLOKOSA-N -1 3 380.822 3.891 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 ZINC001193939146 871381857 /nfs/dbraw/zinc/38/18/57/871381857.db2.gz YRCVHGGHLOYVRF-UHFFFAOYSA-N -1 3 376.315 3.915 20 0 GHADHM O=S(=O)([N-]CC1(CC2CC2)CC1)c1cccc(Cl)c1Br ZINC001194224508 871567213 /nfs/dbraw/zinc/56/72/13/871567213.db2.gz PFKPZTLXRLYVHO-UHFFFAOYSA-N -1 3 378.719 3.961 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194242873 871580610 /nfs/dbraw/zinc/58/06/10/871580610.db2.gz KOROUXKPHSHXHZ-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C(F)(F)F)s1 ZINC000462079823 871583409 /nfs/dbraw/zinc/58/34/09/871583409.db2.gz PHHNCMGFHVHTHE-HTQZYQBOSA-N -1 3 379.372 3.596 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1 ZINC001194371520 871642255 /nfs/dbraw/zinc/64/22/55/871642255.db2.gz FUIMGWFMKBHGNA-UHFFFAOYSA-N -1 3 394.811 3.736 20 0 GHADHM O=c1cc(NS(=O)(=O)c2cccc3c(Cl)nccc32)n(C2CCCC2)[n-]1 ZINC001194456330 871698360 /nfs/dbraw/zinc/69/83/60/871698360.db2.gz SFIUXINHFDHPGM-UHFFFAOYSA-N -1 3 392.868 3.706 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C)cnc3Br)cc2s1 ZINC000794041621 882543652 /nfs/dbraw/zinc/54/36/52/882543652.db2.gz GMVCODXRFTVHLO-UHFFFAOYSA-N -1 3 398.307 3.871 20 0 GHADHM CN(Cc1cccnc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000182027558 871757869 /nfs/dbraw/zinc/75/78/69/871757869.db2.gz PVJONYHWAOWJPB-UHFFFAOYSA-N -1 3 386.087 3.944 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000525966987 871815331 /nfs/dbraw/zinc/81/53/31/871815331.db2.gz JBEJCPJKFROYBE-MRXNPFEDSA-N -1 3 384.823 3.776 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@H]1C ZINC000618653063 871822026 /nfs/dbraw/zinc/82/20/26/871822026.db2.gz MISLTURNLYNYGB-WWGRRREGSA-N -1 3 393.484 3.509 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(OC(F)(F)F)c1 ZINC000462196854 871834403 /nfs/dbraw/zinc/83/44/03/871834403.db2.gz RPLVVLBNDOCBBO-UHFFFAOYSA-N -1 3 379.331 3.545 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC3(CCC3)Oc3ccccc32)c(F)c1F ZINC001194692573 871891602 /nfs/dbraw/zinc/89/16/02/871891602.db2.gz ZYCFJCVQDMJOLG-AWEZNQCLSA-N -1 3 379.428 3.998 20 0 GHADHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1scnc1Br ZINC000775610381 871924823 /nfs/dbraw/zinc/92/48/23/871924823.db2.gz FFMZIRRHOGTFNH-UHFFFAOYSA-N -1 3 389.296 3.959 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1ccc(Cl)nc1C(F)(F)F ZINC000766847547 871936449 /nfs/dbraw/zinc/93/64/49/871936449.db2.gz HLGVMBHQHZXYBH-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c(C)c1C ZINC001194864806 871996688 /nfs/dbraw/zinc/99/66/88/871996688.db2.gz QPLAAIJUKOEHFV-UHFFFAOYSA-N -1 3 377.462 3.929 20 0 GHADHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC001194990813 872092623 /nfs/dbraw/zinc/09/26/23/872092623.db2.gz CTBPHTNWRMDCEU-JSFDKUKPSA-N -1 3 394.512 3.532 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2-c2nccs2)cc1F ZINC001194991276 872093606 /nfs/dbraw/zinc/09/36/06/872093606.db2.gz IMXYINCWTMVBPW-UHFFFAOYSA-N -1 3 391.449 3.573 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOC2(CCC2)C1 ZINC001195000961 872096437 /nfs/dbraw/zinc/09/64/37/872096437.db2.gz PHPIAMFGBLGMGE-HNNXBMFYSA-N -1 3 395.418 3.862 20 0 GHADHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000618871812 872100789 /nfs/dbraw/zinc/10/07/89/872100789.db2.gz PGLMPJSRNBLMER-CYBMUJFWSA-N -1 3 383.673 3.862 20 0 GHADHM O=C([N-]c1ccncc1Oc1ccccc1)c1ncc(Br)s1 ZINC001195053990 872131426 /nfs/dbraw/zinc/13/14/26/872131426.db2.gz ATYHBWRZYSPLPF-UHFFFAOYSA-N -1 3 376.235 3.767 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)sc1Br ZINC001195173800 872233519 /nfs/dbraw/zinc/23/35/19/872233519.db2.gz FUZANKHKPKIDHQ-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM Cc1ccc(N2CCC(C(=O)Nc3ccc(Br)cc3[O-])CC2)nc1 ZINC000619018217 872254971 /nfs/dbraw/zinc/25/49/71/872254971.db2.gz MNPUBAAHYBIYSR-UHFFFAOYSA-N -1 3 390.281 3.713 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195315479 872333145 /nfs/dbraw/zinc/33/31/45/872333145.db2.gz BBIQYEMGWVZBNX-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(C(F)F)c(Br)c1 ZINC001195588517 872488916 /nfs/dbraw/zinc/48/89/16/872488916.db2.gz ZOHVRKMVFYMABR-UHFFFAOYSA-N -1 3 394.179 3.819 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(C(F)F)c(Br)c1 ZINC001195588517 872488927 /nfs/dbraw/zinc/48/89/27/872488927.db2.gz ZOHVRKMVFYMABR-UHFFFAOYSA-N -1 3 394.179 3.819 20 0 GHADHM O=S(=O)([N-]c1ccc(OCCCO)cc1)c1cccc(-c2ccccc2)c1 ZINC000507628659 872500011 /nfs/dbraw/zinc/50/00/11/872500011.db2.gz GDBLVSIAKUWZGI-UHFFFAOYSA-N -1 3 383.469 3.916 20 0 GHADHM CC(C)=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000191828810 882631007 /nfs/dbraw/zinc/63/10/07/882631007.db2.gz LVBWWOOREDZEKS-UHFFFAOYSA-N -1 3 376.453 3.631 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)[n-]1 ZINC000619447561 872634677 /nfs/dbraw/zinc/63/46/77/872634677.db2.gz GAYNVKBPZVHGND-CQSZACIVSA-N -1 3 391.427 3.560 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c[n-]1 ZINC000619447561 872634688 /nfs/dbraw/zinc/63/46/88/872634688.db2.gz GAYNVKBPZVHGND-CQSZACIVSA-N -1 3 391.427 3.560 20 0 GHADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-]Cc1nnc(C2CC2)o1 ZINC000867132312 872663754 /nfs/dbraw/zinc/66/37/54/872663754.db2.gz YNOZQFMOVBRRQJ-UHFFFAOYSA-N -1 3 375.494 3.614 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000527107808 872672519 /nfs/dbraw/zinc/67/25/19/872672519.db2.gz FPJLFHDNHBEMQN-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM COc1ccc(N[C@@H](C)c2cnc3ccsc3c2)cc1[N-]S(C)(=O)=O ZINC000182733088 872712165 /nfs/dbraw/zinc/71/21/65/872712165.db2.gz USANIHKEBGOTEH-NSHDSACASA-N -1 3 377.491 3.850 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000527208504 872810583 /nfs/dbraw/zinc/81/05/83/872810583.db2.gz NFLBLJSHWLTBKG-QGZVFWFLSA-N -1 3 375.856 3.910 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000463919066 872856237 /nfs/dbraw/zinc/85/62/37/872856237.db2.gz GIHCUQIPQZTDHD-CHWSQXEVSA-N -1 3 381.473 3.509 20 0 GHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H]1CCC(C)(C)C1 ZINC000794275118 882666942 /nfs/dbraw/zinc/66/69/42/882666942.db2.gz MXMPFSGQRVYQFH-AWEZNQCLSA-N -1 3 384.517 3.553 20 0 GHADHM COc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)ccc1OC1CCOCC1 ZINC001196195241 872939202 /nfs/dbraw/zinc/93/92/02/872939202.db2.gz UUUCRPZJBZTDMY-UHFFFAOYSA-N -1 3 377.824 3.864 20 0 GHADHM NC(=O)c1cc(Cl)nc(Cl)c1[N-]C(=O)c1snc(Cl)c1Cl ZINC001196334666 873040395 /nfs/dbraw/zinc/04/03/95/873040395.db2.gz ZXULSNNYZPWUFX-UHFFFAOYSA-N -1 3 386.047 3.503 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ncccc2C(F)(F)F)C2CC2)c(F)c1 ZINC001196406680 873095932 /nfs/dbraw/zinc/09/59/32/873095932.db2.gz BWISNNVZIJCSPY-HNNXBMFYSA-N -1 3 388.386 3.978 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000527480261 873179007 /nfs/dbraw/zinc/17/90/07/873179007.db2.gz IIMOVCDAGIMCIL-OAQYLSRUSA-N -1 3 375.428 3.573 20 0 GHADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448370667 873279398 /nfs/dbraw/zinc/27/93/98/873279398.db2.gz KCUYCUSCZVEFSO-NRFANRHFSA-N -1 3 387.487 3.524 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000775740526 873314210 /nfs/dbraw/zinc/31/42/10/873314210.db2.gz KYVPWKMNPNFVKF-UHFFFAOYSA-N -1 3 380.400 3.765 20 0 GHADHM COc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc(OC)c1[O-] ZINC000768562813 873389573 /nfs/dbraw/zinc/38/95/73/873389573.db2.gz CPNJFHSZVDHHOT-IBGZPJMESA-N -1 3 393.439 3.540 20 0 GHADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2F)cs1 ZINC000541387820 873492661 /nfs/dbraw/zinc/49/26/61/873492661.db2.gz PXERBDIZJIBKJB-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102748123 873527217 /nfs/dbraw/zinc/52/72/17/873527217.db2.gz HTFQEJFQGYIYHY-UHFFFAOYSA-N -1 3 378.469 3.587 20 0 GHADHM COc1cc(C(=O)O[C@H](Cc2cccc(Cl)c2F)C(C)=O)cc(OC)c1[O-] ZINC000768789629 873580988 /nfs/dbraw/zinc/58/09/88/873580988.db2.gz GCUCOZSFBJHLDN-CQSZACIVSA-N -1 3 396.798 3.559 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000541457140 873641855 /nfs/dbraw/zinc/64/18/55/873641855.db2.gz OUBFQVIMAIUPNW-INIZCTEOSA-N -1 3 382.288 3.840 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2cc(-c3ccc(F)cc3)no2)c1F ZINC001197421939 873804226 /nfs/dbraw/zinc/80/42/26/873804226.db2.gz JQRLQJWZMWRRGC-UHFFFAOYSA-N -1 3 378.306 3.994 20 0 GHADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001197467441 873822371 /nfs/dbraw/zinc/82/23/71/873822371.db2.gz FDLGUWDDFNNIKH-VIFPVBQESA-N -1 3 393.274 3.709 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197509678 873845832 /nfs/dbraw/zinc/84/58/32/873845832.db2.gz ZXZMMUCTGHMOIL-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cc(OC)c1 ZINC001197494494 873867577 /nfs/dbraw/zinc/86/75/77/873867577.db2.gz HWPCDKWKAAEWLW-UHFFFAOYSA-N -1 3 376.261 3.953 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1cc(C(F)(F)F)ccc1F ZINC000122912053 882770117 /nfs/dbraw/zinc/77/01/17/882770117.db2.gz AJJYYYTWFCEHOW-UHFFFAOYSA-N -1 3 380.388 3.657 20 0 GHADHM CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)Cc3nc(=O)n(C)[n-]3)c2)cc1 ZINC000541578513 873898577 /nfs/dbraw/zinc/89/85/77/873898577.db2.gz PUBDTAINWWNFIM-INIZCTEOSA-N -1 3 380.492 3.756 20 0 GHADHM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197567167 873905420 /nfs/dbraw/zinc/90/54/20/873905420.db2.gz SDDHVSHASOBLAX-UHFFFAOYSA-N -1 3 395.214 3.811 20 0 GHADHM Cc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1[O-] ZINC000301999113 874002611 /nfs/dbraw/zinc/00/26/11/874002611.db2.gz SFHKXEMREBAOHQ-UHFFFAOYSA-N -1 3 379.485 3.968 20 0 GHADHM COc1ccc(CCCNC(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC000528207154 874215988 /nfs/dbraw/zinc/21/59/88/874215988.db2.gz APVYXWSTWVKZCO-UHFFFAOYSA-N -1 3 394.265 3.535 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1cc(Cl)ccc1Cl ZINC000541761345 874226882 /nfs/dbraw/zinc/22/68/82/874226882.db2.gz VTEYIKHGYVBNDE-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1)c1cccc(Cl)n1 ZINC001198259740 874290866 /nfs/dbraw/zinc/29/08/66/874290866.db2.gz KUNRYMDVLZHWAS-INIZCTEOSA-N -1 3 380.897 3.571 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC001198247073 874309637 /nfs/dbraw/zinc/30/96/37/874309637.db2.gz UWWLYFNPIRGSNL-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(C(F)(F)F)c1)C1CC1)c1cccc(Cl)n1 ZINC001198259296 874318217 /nfs/dbraw/zinc/31/82/17/874318217.db2.gz BSNKDSBNLGAJQW-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]c2cc(Br)c(Cl)cc2Cl)n1C ZINC001198406467 874395124 /nfs/dbraw/zinc/39/51/24/874395124.db2.gz CWSLPGHISHHKOZ-UHFFFAOYSA-N -1 3 399.097 3.599 20 0 GHADHM COc1ccc([C@@H]2CCN(C(=O)c3cc([O-])cc(Br)c3)C2)cc1 ZINC000528330393 874411922 /nfs/dbraw/zinc/41/19/22/874411922.db2.gz SOJIOVXASXUBRG-CYBMUJFWSA-N -1 3 376.250 3.793 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)S1 ZINC000541877502 874449680 /nfs/dbraw/zinc/44/96/80/874449680.db2.gz DLVNIAISACKXSA-GQIGUUNPSA-N -1 3 398.528 3.606 20 0 GHADHM C[C@H](Oc1cccnc1NC(=O)NN=c1ccc(Cl)n[n-]1)c1ccccc1 ZINC000163293792 874483894 /nfs/dbraw/zinc/48/38/94/874483894.db2.gz ZXWPNQBKKAKKMY-LBPRGKRZSA-N -1 3 384.827 3.814 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C2CCCCC2)C(F)(F)F)ccc1F ZINC000770223545 874531672 /nfs/dbraw/zinc/53/16/72/874531672.db2.gz JUBHGQPLRJJSFP-AWEZNQCLSA-N -1 3 397.390 3.865 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000528448775 874566494 /nfs/dbraw/zinc/56/64/94/874566494.db2.gz CMFHIFMAZMFZLQ-CQSZACIVSA-N -1 3 395.834 3.571 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=Cc1ccc(F)cc1)c1cccs1 ZINC000775906338 874671653 /nfs/dbraw/zinc/67/16/53/874671653.db2.gz CQUPWTFGLPXPRA-XYOKQWHBSA-N -1 3 396.369 3.881 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000465028571 874973575 /nfs/dbraw/zinc/97/35/75/874973575.db2.gz PFGRJBDCCVIPSS-RDTXWAMCSA-N -1 3 390.480 3.935 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000771714874 875409650 /nfs/dbraw/zinc/40/96/50/875409650.db2.gz RCGCHWGEPBUCRO-ZUZCIYMTSA-N -1 3 398.290 3.773 20 0 GHADHM O=C(NCc1cc(Cl)ccc1OC(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000465294603 875464823 /nfs/dbraw/zinc/46/48/23/875464823.db2.gz MBNFSUQCARQIEO-UHFFFAOYSA-N -1 3 378.762 3.713 20 0 GHADHM Cc1ncc(CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c(=O)[n-]1 ZINC000542389109 875490438 /nfs/dbraw/zinc/49/04/38/875490438.db2.gz GCVCWMJYGVGBRG-UHFFFAOYSA-N -1 3 397.862 3.582 20 0 GHADHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Br)C2CC2)nc1 ZINC001201072203 875510472 /nfs/dbraw/zinc/51/04/72/875510472.db2.gz DSHBOOKPOFPAQX-HNNXBMFYSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1cccnc1COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000771909949 875550657 /nfs/dbraw/zinc/55/06/57/875550657.db2.gz DCNFSCSHDWFXAY-FQEVSTJZSA-N -1 3 390.439 3.700 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2cc(Br)ccc2c1 ZINC000772011037 875612716 /nfs/dbraw/zinc/61/27/16/875612716.db2.gz JAWRGNDILHOTCU-GFCCVEGCSA-N -1 3 387.155 3.980 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCC1(c2ccccc2Br)CC1 ZINC000449927393 875652736 /nfs/dbraw/zinc/65/27/36/875652736.db2.gz OCNHGLALMROBCA-UHFFFAOYSA-N -1 3 378.241 3.684 20 0 GHADHM C[C@H](O)[C@@](C)(CNC(=O)c1cc([O-])cc(Br)c1)Cc1ccccc1 ZINC000529159715 875716207 /nfs/dbraw/zinc/71/62/07/875716207.db2.gz QYQLAEHMJPHKSH-ORAYPTAESA-N -1 3 392.293 3.514 20 0 GHADHM CC(C)Oc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)ccc1Br ZINC000913657257 875724542 /nfs/dbraw/zinc/72/45/42/875724542.db2.gz QSEMCHXVPNKDAF-UHFFFAOYSA-N -1 3 392.253 3.862 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CC2)c1ccc(Oc2ccncc2)cc1 ZINC001201628306 875803300 /nfs/dbraw/zinc/80/33/00/875803300.db2.gz WULVFGNLPNWLGT-FQEVSTJZSA-N -1 3 382.441 3.654 20 0 GHADHM CC(C)c1cccc(F)c1[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201699397 875826208 /nfs/dbraw/zinc/82/62/08/875826208.db2.gz OIWQTBMMIYENER-CYBMUJFWSA-N -1 3 386.489 3.700 20 0 GHADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1cccc(F)c1Br ZINC001201791781 875886514 /nfs/dbraw/zinc/88/65/14/875886514.db2.gz YEWYVNSQXTVJOC-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccoc2c1)c1ncccc1OCc1ccccc1 ZINC001201898926 875914527 /nfs/dbraw/zinc/91/45/27/875914527.db2.gz MAYDEBVBIVONBR-UHFFFAOYSA-N -1 3 394.452 3.885 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(F)cc1)c1ncccc1OCc1ccccc1 ZINC001201902844 875932721 /nfs/dbraw/zinc/93/27/21/875932721.db2.gz WHLAMZKNRYREMA-MOPGFXCFSA-N -1 3 398.459 3.634 20 0 GHADHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc([O-])cc(Br)c1 ZINC000529393751 876069700 /nfs/dbraw/zinc/06/97/00/876069700.db2.gz CAFLYKGPHREQAV-IAGOWNOFSA-N -1 3 376.250 3.805 20 0 GHADHM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(OC)c(OC)cc3C)cc2O1 ZINC000785490145 876071950 /nfs/dbraw/zinc/07/19/50/876071950.db2.gz XAAPFZGUABURIL-IBGZPJMESA-N -1 3 393.461 3.710 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cnc1Cl ZINC000785492864 876073371 /nfs/dbraw/zinc/07/33/71/876073371.db2.gz IJNUFHDTQYKCCZ-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COc1cccc(NC(=O)Nc2ccc(I)cc2[O-])c1 ZINC001202277884 876099597 /nfs/dbraw/zinc/09/95/97/876099597.db2.gz HHAPCUSQOQWTTP-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2ccncc2)cc1 ZINC000173555091 876468184 /nfs/dbraw/zinc/46/81/84/876468184.db2.gz UVVWAEUMYARMBU-CYBMUJFWSA-N -1 3 386.411 3.515 20 0 GHADHM Cc1cccc(S(=O)(=O)CCCOC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786131268 876498730 /nfs/dbraw/zinc/49/87/30/876498730.db2.gz OIZHWGNHTNPBMW-UHFFFAOYSA-N -1 3 390.482 3.936 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000786259658 876557929 /nfs/dbraw/zinc/55/79/29/876557929.db2.gz ASHXQKAHFLQQHF-JTQLQIEISA-N -1 3 385.798 3.508 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccc(OC)cc1 ZINC000179993393 883043314 /nfs/dbraw/zinc/04/33/14/883043314.db2.gz DIPHDKZKPFXCAY-LJQANCHMSA-N -1 3 377.444 3.886 20 0 GHADHM Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001129658904 883063830 /nfs/dbraw/zinc/06/38/30/883063830.db2.gz TYRKLQIYPXMICU-UHFFFAOYSA-N -1 3 387.226 3.974 20 0 GHADHM O=C(Nc1cccc(C2CCOCC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000529935817 876862498 /nfs/dbraw/zinc/86/24/98/876862498.db2.gz OCECNDCUJLPAHK-FQEVSTJZSA-N -1 3 394.471 3.530 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNCc2cccc3ccccc32)n1 ZINC000850415385 876896031 /nfs/dbraw/zinc/89/60/31/876896031.db2.gz VUZYMXUXWXJDFA-UHFFFAOYSA-N -1 3 394.475 3.650 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000193463073 876964539 /nfs/dbraw/zinc/96/45/39/876964539.db2.gz XLBDLZOYRNMUAB-AWEZNQCLSA-N -1 3 393.443 3.692 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786863545 876988276 /nfs/dbraw/zinc/98/82/76/876988276.db2.gz FWUZKPIJXIAXIB-MRXNPFEDSA-N -1 3 394.487 3.617 20 0 GHADHM CCC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccsc1 ZINC000850576308 877044651 /nfs/dbraw/zinc/04/46/51/877044651.db2.gz KIUWGKHVYQBIQX-OAHLLOKOSA-N -1 3 392.525 3.899 20 0 GHADHM C[C@H]1CC[C@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850577274 877048956 /nfs/dbraw/zinc/04/89/56/877048956.db2.gz XQNJRPIUBXBKEQ-KSSFIOAISA-N -1 3 398.507 3.935 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(OC(F)(F)Cl)cc1 ZINC000787091166 877143421 /nfs/dbraw/zinc/14/34/21/877143421.db2.gz QHLMLNQISUCUJW-UHFFFAOYSA-N -1 3 396.733 3.967 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC000450989048 877157429 /nfs/dbraw/zinc/15/74/29/877157429.db2.gz PWSSFICCIGYDKM-SFHVURJKSA-N -1 3 376.478 3.555 20 0 GHADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000451013504 877234606 /nfs/dbraw/zinc/23/46/06/877234606.db2.gz JACKMOJQBCEYCB-JTQLQIEISA-N -1 3 375.277 3.832 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)C[C@@H]3CCCCC3(F)F)CCCCCC2)no1 ZINC000451039436 877249067 /nfs/dbraw/zinc/24/90/67/877249067.db2.gz YLBJABJMTCBOPG-AWEZNQCLSA-N -1 3 391.484 3.672 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(Br)cc2)n1 ZINC000477366147 877520920 /nfs/dbraw/zinc/52/09/20/877520920.db2.gz PWGOGAHMLKQPSD-JTQLQIEISA-N -1 3 396.310 3.768 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cn2cccn2)c1)c1cc(Cl)ccc1Cl ZINC000615304995 877613016 /nfs/dbraw/zinc/61/30/16/877613016.db2.gz MBWCZGFEBLXXNT-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC000914036303 877657906 /nfs/dbraw/zinc/65/79/06/877657906.db2.gz ZXIIDOGWDFCSTR-QFIPXVFZSA-N -1 3 397.425 3.891 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1nc(CCc2ccccc2)no1 ZINC000787844801 877664000 /nfs/dbraw/zinc/66/40/00/877664000.db2.gz NQIYYECTMBZUJX-UHFFFAOYSA-N -1 3 384.407 3.766 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000787844705 877664562 /nfs/dbraw/zinc/66/45/62/877664562.db2.gz LVLPKZNUVLDPGH-CYBMUJFWSA-N -1 3 393.842 3.756 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847129 877666339 /nfs/dbraw/zinc/66/63/39/877666339.db2.gz XXWYKXVUMYKPAL-CYBMUJFWSA-N -1 3 377.387 3.872 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cc(F)ccc1F ZINC000787850136 877669668 /nfs/dbraw/zinc/66/96/68/877669668.db2.gz PPBFHFIBJFRMDM-NSHDSACASA-N -1 3 381.350 3.703 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)c(F)c1 ZINC000530425932 877766658 /nfs/dbraw/zinc/76/66/58/877766658.db2.gz DKAORZGBPCQFBF-SNVBAGLBSA-N -1 3 395.383 3.537 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000110044584 877782039 /nfs/dbraw/zinc/78/20/39/877782039.db2.gz IZUFRAVVKGSCQQ-OAHLLOKOSA-N -1 3 376.441 3.510 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@]3(CO)CC(C)C)cc2)cc(=O)[n-]1 ZINC000530440466 877827161 /nfs/dbraw/zinc/82/71/61/877827161.db2.gz MCLAVUVAUQDRFC-OAQYLSRUSA-N -1 3 384.480 3.563 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)c(F)c1 ZINC000404896629 877906820 /nfs/dbraw/zinc/90/68/20/877906820.db2.gz UKSQOSQVKMQDIS-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000788234699 877969714 /nfs/dbraw/zinc/96/97/14/877969714.db2.gz ALPKDCZXFTYRMK-UHFFFAOYSA-N -1 3 383.879 3.951 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)cc1Cl ZINC000788494489 878104338 /nfs/dbraw/zinc/10/43/38/878104338.db2.gz YTILUDUJEBDGSY-OAHLLOKOSA-N -1 3 381.881 3.571 20 0 GHADHM O=S(=O)([N-]CCCC1CCOCC1)c1cc(Cl)ccc1Br ZINC000451614208 878250267 /nfs/dbraw/zinc/25/02/67/878250267.db2.gz PTRXIKWFTXSBSB-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000530670195 878266887 /nfs/dbraw/zinc/26/68/87/878266887.db2.gz QHKIVDJUZCFYBR-UHFFFAOYSA-N -1 3 394.175 3.871 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000530657611 878276345 /nfs/dbraw/zinc/27/63/45/878276345.db2.gz QSPKCGJXQKBLOA-UHFFFAOYSA-N -1 3 382.729 3.955 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000176536029 878297982 /nfs/dbraw/zinc/29/79/82/878297982.db2.gz ATWKMLSUABMSPY-UHFFFAOYSA-N -1 3 395.484 3.940 20 0 GHADHM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788749122 878322151 /nfs/dbraw/zinc/32/21/51/878322151.db2.gz RTYCUNAZFYBKMK-UHFFFAOYSA-N -1 3 390.486 3.636 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)s1 ZINC000176737805 878378867 /nfs/dbraw/zinc/37/88/67/878378867.db2.gz CBGIEDNJUZEHHV-VIFPVBQESA-N -1 3 377.857 3.850 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCNc2ccc(C(F)(F)F)cn2)sc1Cl ZINC000788878127 878403435 /nfs/dbraw/zinc/40/34/35/878403435.db2.gz NHHYJQQCXWJFGD-UHFFFAOYSA-N -1 3 399.847 3.514 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@@H](O)c1c(F)cccc1F ZINC000788898300 878433251 /nfs/dbraw/zinc/43/32/51/878433251.db2.gz KUMDDTHYZUAQNS-SMDDNHRTSA-N -1 3 395.880 3.779 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCSCc2ccnc(Cl)c2)sc1Cl ZINC000788907676 878443629 /nfs/dbraw/zinc/44/36/29/878443629.db2.gz ZMDHWRBSSPZELL-UHFFFAOYSA-N -1 3 397.374 3.970 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Cn4cccn4)o3)s2)c(C)c1 ZINC000068435966 878519857 /nfs/dbraw/zinc/51/98/57/878519857.db2.gz SZUQGAJOJQLTNM-UHFFFAOYSA-N -1 3 379.445 3.912 20 0 GHADHM CCc1cc2c(CN3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000852740447 878569823 /nfs/dbraw/zinc/56/98/23/878569823.db2.gz BOQDEDGLKOTCCR-RISCZKNCSA-N -1 3 385.382 3.603 20 0 GHADHM C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000285609526 912360637 /nfs/dbraw/zinc/36/06/37/912360637.db2.gz JBYBMRMANMKSGY-CZUORRHYSA-N -1 3 376.884 3.825 20 0 GHADHM CN1CCN(Cc2ccc(NC(=O)c3c([O-])cc(Cl)cc3Cl)cc2)CC1 ZINC000530951724 878827685 /nfs/dbraw/zinc/82/76/85/878827685.db2.gz NQMFJMPWMOJKGM-UHFFFAOYSA-N -1 3 394.302 3.699 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460971087 878891884 /nfs/dbraw/zinc/89/18/84/878891884.db2.gz DUOLCALTZPGZEN-QGZVFWFLSA-N -1 3 392.377 3.831 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1ccc(Cl)s1 ZINC000452097174 878927381 /nfs/dbraw/zinc/92/73/81/878927381.db2.gz XZLUGWSZHLKFIL-ZDUSSCGKSA-N -1 3 377.940 3.645 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(Cc2ccccc2)s1 ZINC000531024621 878948135 /nfs/dbraw/zinc/94/81/35/878948135.db2.gz LAJBQBLJXHVLHY-UHFFFAOYSA-N -1 3 375.457 3.626 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cncc(Cl)c2)c(Br)c1 ZINC000461107113 879142154 /nfs/dbraw/zinc/14/21/54/879142154.db2.gz KKWXWFZNPBVSHN-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000774618168 912432193 /nfs/dbraw/zinc/43/21/93/912432193.db2.gz HOFLFHYZLMGSGA-UHFFFAOYSA-N -1 3 380.897 3.887 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c([O-])c1 ZINC000789736788 879252479 /nfs/dbraw/zinc/25/24/79/879252479.db2.gz NMJUJQYCXRIVDV-UHFFFAOYSA-N -1 3 396.487 3.737 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000789735750 879252805 /nfs/dbraw/zinc/25/28/05/879252805.db2.gz QZXOYBGAJUHKIJ-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)c(C(=O)OCC)[n-]1 ZINC000616916420 879264245 /nfs/dbraw/zinc/26/42/45/879264245.db2.gz MVHXWTZXZYKLGK-UHFFFAOYSA-N -1 3 397.479 3.767 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc3nc(C4CC4)oc3c1)c2=O ZINC000538386751 879397734 /nfs/dbraw/zinc/39/77/34/879397734.db2.gz LZIZHIIVEABDIY-UHFFFAOYSA-N -1 3 393.374 3.947 20 0 GHADHM CCc1cc2oc(=O)cc(COC(=O)c3cccc4nn[n-]c43)c2cc1Cl ZINC000790074539 879417261 /nfs/dbraw/zinc/41/72/61/879417261.db2.gz GIOHJQSVMLIBRV-UHFFFAOYSA-N -1 3 383.791 3.637 20 0 GHADHM CCc1cc2oc(=O)cc(COC(=O)c3cccc4[n-]nnc43)c2cc1Cl ZINC000790074539 879417266 /nfs/dbraw/zinc/41/72/66/879417266.db2.gz GIOHJQSVMLIBRV-UHFFFAOYSA-N -1 3 383.791 3.637 20 0 GHADHM CCc1cc2oc(=O)cc(COC(=O)c3cccc4n[n-]nc43)c2cc1Cl ZINC000790074539 879417280 /nfs/dbraw/zinc/41/72/80/879417280.db2.gz GIOHJQSVMLIBRV-UHFFFAOYSA-N -1 3 383.791 3.637 20 0 GHADHM CN(CCOc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000139267158 879489826 /nfs/dbraw/zinc/48/98/26/879489826.db2.gz PJVQSIPEZMQEEQ-UHFFFAOYSA-N -1 3 381.457 3.755 20 0 GHADHM CC(C)N1C(=S)N=NC1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746887830 879550378 /nfs/dbraw/zinc/55/03/78/879550378.db2.gz ZMMIYNFWUISVCR-UHFFFAOYSA-N -1 3 384.461 3.576 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)s1 ZINC000538541602 879650727 /nfs/dbraw/zinc/65/07/27/879650727.db2.gz XVXKAAGWHOFIIY-VXGBXAGGSA-N -1 3 396.372 3.691 20 0 GHADHM CC(C)=CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000452542646 879657186 /nfs/dbraw/zinc/65/71/86/879657186.db2.gz BUSTYEGIPOFZHW-AWEZNQCLSA-N -1 3 393.484 3.819 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000538539296 879678392 /nfs/dbraw/zinc/67/83/92/879678392.db2.gz SDBORJNBUIYQOI-HZPDHXFCSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538538674 879680081 /nfs/dbraw/zinc/68/00/81/879680081.db2.gz AIBJKANEIBAIKU-LSDHHAIUSA-N -1 3 388.411 3.925 20 0 GHADHM O=C(NCC1(CC2CC2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000914349064 879685151 /nfs/dbraw/zinc/68/51/51/879685151.db2.gz AURFBTXRMXHFAS-UHFFFAOYSA-N -1 3 375.266 3.601 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c(=O)[n-]1 ZINC000452597011 879745084 /nfs/dbraw/zinc/74/50/84/879745084.db2.gz YOGMFJXBEPULFO-SFHVURJKSA-N -1 3 377.847 3.792 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493953060 879768737 /nfs/dbraw/zinc/76/87/37/879768737.db2.gz QLJRAVNMFWPPJJ-JQWIXIFHSA-N -1 3 396.734 3.584 20 0 GHADHM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(=O)c3ccccc3[n-]2)CO1 ZINC000617458800 879818185 /nfs/dbraw/zinc/81/81/85/879818185.db2.gz XNTKAIIYERIXEQ-QGZVFWFLSA-N -1 3 376.456 3.738 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4ccccc4Cl)on3)nc21 ZINC000494089839 879879516 /nfs/dbraw/zinc/87/95/16/879879516.db2.gz RVAGVJBMQNZCFG-UHFFFAOYSA-N -1 3 396.790 3.910 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)C1)C(F)(F)F ZINC000854525881 879880739 /nfs/dbraw/zinc/88/07/39/879880739.db2.gz IXHJIABZAQSQFI-RCCFBDPRSA-N -1 3 396.453 3.563 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(OCC(C)C)cc3)nc21 ZINC000494127115 879921384 /nfs/dbraw/zinc/92/13/84/879921384.db2.gz HMXXWUYYHMFTTG-UHFFFAOYSA-N -1 3 381.432 3.566 20 0 GHADHM O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(Br)ccc1[O-] ZINC000531492729 879963731 /nfs/dbraw/zinc/96/37/31/879963731.db2.gz NVHWGXZODJCLML-UHFFFAOYSA-N -1 3 396.262 3.657 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000112627718 880051614 /nfs/dbraw/zinc/05/16/14/880051614.db2.gz MBLSXDXOQRKJKN-CYBMUJFWSA-N -1 3 384.382 3.736 20 0 GHADHM Cc1c([O-])ccc2c(CSc3nccn3Cc3ccccn3)cc(=O)oc12 ZINC000112772515 880144260 /nfs/dbraw/zinc/14/42/60/880144260.db2.gz SNGGPBMPBVBZAH-UHFFFAOYSA-N -1 3 379.441 3.739 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000855037645 880233500 /nfs/dbraw/zinc/23/35/00/880233500.db2.gz SYAPFHODMHQROH-STQMWFEESA-N -1 3 380.510 3.632 20 0 GHADHM CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000855195634 880342687 /nfs/dbraw/zinc/34/26/87/880342687.db2.gz SLXMPRLKAOFFEC-UHFFFAOYSA-N -1 3 382.476 3.616 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC000113169521 880382476 /nfs/dbraw/zinc/38/24/76/880382476.db2.gz ZVYRVMGGFAUMOJ-UHFFFAOYSA-N -1 3 381.617 3.662 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1[O-] ZINC000531775009 880462901 /nfs/dbraw/zinc/46/29/01/880462901.db2.gz NPSLANBQDIPLLF-QGZVFWFLSA-N -1 3 392.455 3.735 20 0 GHADHM O=C([N-][C@]1(Cc2ccc(Cl)cc2)CCCOC1)C(F)(F)c1nccs1 ZINC000855459468 880530631 /nfs/dbraw/zinc/53/06/31/880530631.db2.gz VUXGZZMQQNPBRF-INIZCTEOSA-N -1 3 386.851 3.796 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185966333 880743548 /nfs/dbraw/zinc/74/35/48/880743548.db2.gz MWTZUNRAOHOSQR-UHFFFAOYSA-N -1 3 387.237 3.867 20 0 GHADHM Cc1cn(-c2ccccc2)nc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000186179890 880813304 /nfs/dbraw/zinc/81/33/04/880813304.db2.gz TWGFFEXRXFLQHV-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N2CCOC2=O)cc1 ZINC000792095912 880925593 /nfs/dbraw/zinc/92/55/93/880925593.db2.gz ZVMXSVNDMSFHNA-AWEZNQCLSA-N -1 3 376.412 3.993 20 0 GHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2C)[n-]c1-c1ccccc1 ZINC000186850629 881005531 /nfs/dbraw/zinc/00/55/31/881005531.db2.gz VHCYSBHPKXYFHZ-UHFFFAOYSA-N -1 3 397.500 3.723 20 0 GHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2C)nc1-c1ccccc1 ZINC000186850629 881005549 /nfs/dbraw/zinc/00/55/49/881005549.db2.gz VHCYSBHPKXYFHZ-UHFFFAOYSA-N -1 3 397.500 3.723 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncccc2[O-])C[C@@H](c2ccccc2)C1 ZINC001183563083 912631587 /nfs/dbraw/zinc/63/15/87/912631587.db2.gz RMBCPKGMDYPGHI-SJORKVTESA-N -1 3 397.475 3.767 20 0 GHADHM CN(C)c1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc(Cl)n1 ZINC000792487967 881143245 /nfs/dbraw/zinc/14/32/45/881143245.db2.gz YPHUOUAOXRIYEH-UHFFFAOYSA-N -1 3 382.811 3.585 20 0 GHADHM CN(C)c1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc(Cl)n1 ZINC000792487967 881143254 /nfs/dbraw/zinc/14/32/54/881143254.db2.gz YPHUOUAOXRIYEH-UHFFFAOYSA-N -1 3 382.811 3.585 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC2(Cc3ccccc3)CCCCC2)c(=O)[n-]1 ZINC000187356817 881162916 /nfs/dbraw/zinc/16/29/16/881162916.db2.gz TZYUKKUHPFODED-UHFFFAOYSA-N -1 3 381.520 3.629 20 0 GHADHM CCCCc1nc(NC(=O)Cc2cc(-c3ccccc3)on2)c(C(=O)OCC)[n-]1 ZINC000792556398 881191424 /nfs/dbraw/zinc/19/14/24/881191424.db2.gz UNCMPIAWKVOBTD-UHFFFAOYSA-N -1 3 396.447 3.765 20 0 GHADHM O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000532127928 881197342 /nfs/dbraw/zinc/19/73/42/881197342.db2.gz RAMGSGVKVOBEQX-UHFFFAOYSA-N -1 3 382.313 3.908 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640293160 881276805 /nfs/dbraw/zinc/27/68/05/881276805.db2.gz RJALXFXKGGKMSR-LBPRGKRZSA-N -1 3 388.821 3.924 20 0 GHADHM CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000792604003 881319428 /nfs/dbraw/zinc/31/94/28/881319428.db2.gz ANJBTHNPEVDXJF-UHFFFAOYSA-N -1 3 384.476 3.949 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3ncccc3Br)n2)s1 ZINC000193153475 883120473 /nfs/dbraw/zinc/12/04/73/883120473.db2.gz HBBZVFQNMOLHMX-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C(=Cc1ccccc1)C(F)(F)F ZINC001129732107 883141027 /nfs/dbraw/zinc/14/10/27/883141027.db2.gz DNBGUTCDZWPHKY-XYOKQWHBSA-N -1 3 377.301 3.590 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C(=Cc1ccccc1)C(F)(F)F ZINC001129732107 883141032 /nfs/dbraw/zinc/14/10/32/883141032.db2.gz DNBGUTCDZWPHKY-XYOKQWHBSA-N -1 3 377.301 3.590 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000551067973 883223202 /nfs/dbraw/zinc/22/32/02/883223202.db2.gz QUXHDBAITBMBBG-QHCPKHFHSA-N -1 3 381.472 3.815 20 0 GHADHM CCCN(CC1CCCCC1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000195352773 883293661 /nfs/dbraw/zinc/29/36/61/883293661.db2.gz FFMSJXZITSWJRO-UHFFFAOYSA-N -1 3 396.535 3.892 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1 ZINC000666962791 883334797 /nfs/dbraw/zinc/33/47/97/883334797.db2.gz RIISBIKTJFMASF-UHFFFAOYSA-N -1 3 383.473 3.814 20 0 GHADHM O=c1[n-]c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)nc2c3ccccc3oc21 ZINC000053369647 883358723 /nfs/dbraw/zinc/35/87/23/883358723.db2.gz YKQUGQUWGJOXAG-KRWDZBQOSA-N -1 3 395.846 3.896 20 0 GHADHM CCC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)cc1 ZINC000615063844 883405977 /nfs/dbraw/zinc/40/59/77/883405977.db2.gz ORACVSFCLAHLJQ-AWEZNQCLSA-N -1 3 387.867 3.758 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Br)cc1F ZINC000804892067 883457757 /nfs/dbraw/zinc/45/77/57/883457757.db2.gz MFDOGQJDTKRXSK-VIFPVBQESA-N -1 3 390.212 3.728 20 0 GHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000032411430 883534856 /nfs/dbraw/zinc/53/48/56/883534856.db2.gz MSPVIJXOUPPSRF-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000805120694 883593113 /nfs/dbraw/zinc/59/31/13/883593113.db2.gz CBFBTKYGKPWRMX-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1nnc2ccccc2c1[O-] ZINC000175387494 883705486 /nfs/dbraw/zinc/70/54/86/883705486.db2.gz XIVBSPCDLJWLTL-UHFFFAOYSA-N -1 3 390.443 3.694 20 0 GHADHM COc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1OCC(C)C ZINC000551420661 883845399 /nfs/dbraw/zinc/84/53/99/883845399.db2.gz JVSZONGPPFSLJK-QFIPXVFZSA-N -1 3 387.451 3.885 20 0 GHADHM CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1ccccc1[O-] ZINC000805473534 883845504 /nfs/dbraw/zinc/84/55/04/883845504.db2.gz GZIDEBOQHRQPIZ-UHFFFAOYSA-N -1 3 376.497 3.939 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc(-n2cncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000551423349 883846591 /nfs/dbraw/zinc/84/65/91/883846591.db2.gz VJCXCDTVMMRBQH-KRWDZBQOSA-N -1 3 390.365 3.592 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C)s2)c(Cl)cc1Cl ZINC000747247830 883866239 /nfs/dbraw/zinc/86/62/39/883866239.db2.gz KKOVTANACMPSSY-UHFFFAOYSA-N -1 3 394.301 3.628 20 0 GHADHM CC1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCN(Cc2ccccc2)CC1 ZINC000542513754 884003717 /nfs/dbraw/zinc/00/37/17/884003717.db2.gz QULFGTMGOVXMIW-UHFFFAOYSA-N -1 3 392.528 3.868 20 0 GHADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000556175785 884020420 /nfs/dbraw/zinc/02/04/20/884020420.db2.gz WZDVOMLCPRFKAU-JOCHJYFZSA-N -1 3 396.292 3.812 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000102649034 884034948 /nfs/dbraw/zinc/03/49/48/884034948.db2.gz ASUMWEHWDOWRFE-KRWDZBQOSA-N -1 3 395.425 3.852 20 0 GHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000227440087 884058724 /nfs/dbraw/zinc/05/87/24/884058724.db2.gz UPISPYNLOHJFMF-NXEZZACHSA-N -1 3 384.386 3.772 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CCCc3ccccc3)c2)c(=O)[n-]1 ZINC000102650695 884067141 /nfs/dbraw/zinc/06/71/41/884067141.db2.gz GBMZGRVKZOPGGH-UHFFFAOYSA-N -1 3 375.472 3.743 20 0 GHADHM COc1ccc(-n2nnc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c2C)cc1 ZINC000476148377 884126035 /nfs/dbraw/zinc/12/60/35/884126035.db2.gz JPYJXMCZHBRCHL-UHFFFAOYSA-N -1 3 392.337 3.561 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000263140468 884177938 /nfs/dbraw/zinc/17/79/38/884177938.db2.gz DOYYXBPVEDOAKS-AEFFLSMTSA-N -1 3 390.499 3.530 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000263150130 884225722 /nfs/dbraw/zinc/22/57/22/884225722.db2.gz FHRFCYAUOKUQNU-NDBYEHHHSA-N -1 3 387.307 3.602 20 0 GHADHM Cc1ncc(CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c(=O)[n-]1 ZINC000476190417 884236610 /nfs/dbraw/zinc/23/66/10/884236610.db2.gz LTEQPXGEAKTVPD-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM COc1ccc(CC2CCN(Cn3[n-]c(-c4ccccn4)nc3=S)CC2)cc1 ZINC000117319778 884445827 /nfs/dbraw/zinc/44/58/27/884445827.db2.gz FWPXIQFCPVZFAF-UHFFFAOYSA-N -1 3 395.532 3.923 20 0 GHADHM CC(C)[C@H]1C[C@](NCc2cnn(CC(F)(F)F)c2)(C(=O)[O-])c2ccccc21 ZINC000556331748 884493938 /nfs/dbraw/zinc/49/39/38/884493938.db2.gz KIFUVBVWEQFOGC-CRAIPNDOSA-N -1 3 381.398 3.658 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2cc(Br)ccc2C)cc1OC ZINC000842029328 884601986 /nfs/dbraw/zinc/60/19/86/884601986.db2.gz BQCAZNBUYAZEND-UHFFFAOYSA-N -1 3 394.265 3.565 20 0 GHADHM CC[C@@H](CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C)cc1 ZINC000130406396 884632955 /nfs/dbraw/zinc/63/29/55/884632955.db2.gz MEROKIDRYGRFHE-SFHVURJKSA-N -1 3 380.488 3.569 20 0 GHADHM CCOC(=O)c1nc([N-][C@H](c2ccccn2)C(F)(F)F)nc2ccccc21 ZINC001168479046 884689079 /nfs/dbraw/zinc/68/90/79/884689079.db2.gz RIUOGFOYAYFHRD-OAHLLOKOSA-N -1 3 376.338 3.917 20 0 GHADHM Cc1ccc2nc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)sc2c1 ZINC001143600476 884716533 /nfs/dbraw/zinc/71/65/33/884716533.db2.gz OAWMPQRCHRRAKM-UHFFFAOYSA-N -1 3 395.893 3.882 20 0 GHADHM CCn1cccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1=O ZINC000666312880 884719295 /nfs/dbraw/zinc/71/92/95/884719295.db2.gz NZDGXMBKKGFFFX-UHFFFAOYSA-N -1 3 375.277 3.593 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c1 ZINC000475828335 884726004 /nfs/dbraw/zinc/72/60/04/884726004.db2.gz FTASBJHNDRYHET-UHFFFAOYSA-N -1 3 379.825 3.578 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2cc3c(cc2Cl)OCCCO3)[n-]1 ZINC000179117197 884751677 /nfs/dbraw/zinc/75/16/77/884751677.db2.gz LDPFHCWHWDYWIV-UHFFFAOYSA-N -1 3 375.734 3.628 20 0 GHADHM C[C@@H](Cc1c(F)cccc1F)NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046500 884802523 /nfs/dbraw/zinc/80/25/23/884802523.db2.gz JGXKRXWLIJTUGG-QMMMGPOBSA-N -1 3 391.201 3.504 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000666346602 884805118 /nfs/dbraw/zinc/80/51/18/884805118.db2.gz DJUFCLRVNRELBV-OKILXGFUSA-N -1 3 392.459 3.639 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)[n-]1 ZINC000556481109 885062052 /nfs/dbraw/zinc/06/20/52/885062052.db2.gz AIASHRYAGZZRFF-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)N(Cc1ccccc1)CC(F)(F)F ZINC000914888995 885112138 /nfs/dbraw/zinc/11/21/38/885112138.db2.gz DRSAFYIOTSLVOF-UHFFFAOYSA-N -1 3 396.390 3.977 20 0 GHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000914891938 885119623 /nfs/dbraw/zinc/11/96/23/885119623.db2.gz VOOXBYXPIGXEOG-LLVKDONJSA-N -1 3 386.429 3.575 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1csc(Br)c1 ZINC000747365490 885143477 /nfs/dbraw/zinc/14/34/77/885143477.db2.gz LNESHZHFOWHKQD-UHFFFAOYSA-N -1 3 384.299 3.710 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000666478504 885168146 /nfs/dbraw/zinc/16/81/46/885168146.db2.gz ZKOMAALQMKSSDY-GFCCVEGCSA-N -1 3 385.489 3.889 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)n[n-]2)o1 ZINC000919326776 885338874 /nfs/dbraw/zinc/33/88/74/885338874.db2.gz DHYRECIHNRHHEP-ZFWWWQNUSA-N -1 3 393.443 3.891 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)[n-]n2)o1 ZINC000919326776 885338896 /nfs/dbraw/zinc/33/88/96/885338896.db2.gz DHYRECIHNRHHEP-ZFWWWQNUSA-N -1 3 393.443 3.891 20 0 GHADHM O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cc([O-])ccc1Cl ZINC000556545852 885361448 /nfs/dbraw/zinc/36/14/48/885361448.db2.gz WYHJHITZZQQTCK-LLVKDONJSA-N -1 3 398.768 3.600 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(I)ccc1[O-])c1ccncc1 ZINC000610879264 885391745 /nfs/dbraw/zinc/39/17/45/885391745.db2.gz YPCMAMXXTZMESH-JTQLQIEISA-N -1 3 382.201 3.524 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000861330621 885401461 /nfs/dbraw/zinc/40/14/61/885401461.db2.gz IERXXCSETSKXBC-UHFFFAOYSA-N -1 3 379.378 3.843 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053543840 885505913 /nfs/dbraw/zinc/50/59/13/885505913.db2.gz BETBGCMLXTTXGM-ZWKOTPCHSA-N -1 3 396.487 3.728 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000303314199 885517443 /nfs/dbraw/zinc/51/74/43/885517443.db2.gz PUFXYVLNAVCWII-UHFFFAOYSA-N -1 3 382.215 3.629 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C)cc1Cl ZINC000104738201 885594099 /nfs/dbraw/zinc/59/40/99/885594099.db2.gz LBJCCXUOPQBFTL-PWSUYJOCSA-N -1 3 376.881 3.542 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000118345151 885629431 /nfs/dbraw/zinc/62/94/31/885629431.db2.gz CZBIYSGVJLSBMY-INIZCTEOSA-N -1 3 385.876 3.507 20 0 GHADHM CNc1nc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cs1 ZINC000762195926 885638786 /nfs/dbraw/zinc/63/87/86/885638786.db2.gz MEVHZLMXKNARQD-UHFFFAOYSA-N -1 3 381.483 3.720 20 0 GHADHM O=C(Cc1c[nH]c2ccc(F)cc12)NCc1ccc([O-])c(Br)c1 ZINC000151531907 885678581 /nfs/dbraw/zinc/67/85/81/885678581.db2.gz FDJIZAQXOZSWPI-UHFFFAOYSA-N -1 3 377.213 3.634 20 0 GHADHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153474368 885754356 /nfs/dbraw/zinc/75/43/56/885754356.db2.gz SXEMAWOATHAEDT-NSHDSACASA-N -1 3 380.157 3.713 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000116929482 885991230 /nfs/dbraw/zinc/99/12/30/885991230.db2.gz DMOFGWDUURVEOH-QGZVFWFLSA-N -1 3 391.452 3.737 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000537603490 886019867 /nfs/dbraw/zinc/01/98/67/886019867.db2.gz KEENIWPNRRIZIN-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c1 ZINC000055634863 886124324 /nfs/dbraw/zinc/12/43/24/886124324.db2.gz CJDLCLLZRYXYPP-NSHDSACASA-N -1 3 396.365 3.567 20 0 GHADHM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000556809912 886218829 /nfs/dbraw/zinc/21/88/29/886218829.db2.gz WHVWHVJOHTZZJU-UHFFFAOYSA-N -1 3 396.516 3.655 20 0 GHADHM COc1cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000862370728 886331508 /nfs/dbraw/zinc/33/15/08/886331508.db2.gz REYIMZSUDPBSGV-NSHDSACASA-N -1 3 398.347 3.605 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnn1-c1ccccc1F ZINC000120083508 886498514 /nfs/dbraw/zinc/49/85/14/886498514.db2.gz DHDDGEXZNAULTP-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)c(C)c2)c(C)o1 ZINC000762607492 886530799 /nfs/dbraw/zinc/53/07/99/886530799.db2.gz ZDSVTGJSQSNIRJ-UHFFFAOYSA-N -1 3 384.457 3.724 20 0 GHADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000053672461 886548325 /nfs/dbraw/zinc/54/83/25/886548325.db2.gz RWTMOLTYSMZPBO-UHFFFAOYSA-N -1 3 385.316 3.941 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c[n-]c12 ZINC000532636627 886653677 /nfs/dbraw/zinc/65/36/77/886653677.db2.gz HANIOMUHMNXBHT-UHFFFAOYSA-N -1 3 379.395 3.554 20 0 GHADHM Cc1c([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1ccc(F)cc1 ZINC000053798904 886860163 /nfs/dbraw/zinc/86/01/63/886860163.db2.gz SDSCUTOEAFXKEL-CYBMUJFWSA-N -1 3 390.418 3.652 20 0 GHADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001299198255 887033525 /nfs/dbraw/zinc/03/35/25/887033525.db2.gz NJPJEUXYDAWTSD-UHFFFAOYSA-N -1 3 385.374 3.527 20 0 GHADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001299198255 887033537 /nfs/dbraw/zinc/03/35/37/887033537.db2.gz NJPJEUXYDAWTSD-UHFFFAOYSA-N -1 3 385.374 3.527 20 0 GHADHM O=c1[n-]c(SCC2(Br)CC2)nc2c1cnn2Cc1ccccc1 ZINC000863348451 887047233 /nfs/dbraw/zinc/04/72/33/887047233.db2.gz WMVVAEHQRJHQFU-UHFFFAOYSA-N -1 3 391.294 3.600 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000193673956 887206967 /nfs/dbraw/zinc/20/69/67/887206967.db2.gz RJAQKKSXPVNLBH-UHFFFAOYSA-N -1 3 382.291 3.675 20 0 GHADHM Cc1cc(C(=O)COc2ccc3c([O-])coc3c2)c(C)n1Cc1ccccc1 ZINC000915663433 887285155 /nfs/dbraw/zinc/28/51/55/887285155.db2.gz XCJAYESUJMRHIE-UHFFFAOYSA-N -1 3 375.424 3.990 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000459315862 887317033 /nfs/dbraw/zinc/31/70/33/887317033.db2.gz YGCUJUWIZSIRLU-YLJYHZDGSA-N -1 3 393.915 3.840 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc4c(c3)OCO4)c2)n1 ZINC000915744413 887384018 /nfs/dbraw/zinc/38/40/18/887384018.db2.gz DQOQSEACSYJSMQ-CLFYSBASSA-N -1 3 389.411 3.792 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1C ZINC000032589532 887418286 /nfs/dbraw/zinc/41/82/86/887418286.db2.gz NGFRCGCJKFNHFZ-UHFFFAOYSA-N -1 3 394.880 3.585 20 0 GHADHM CCc1coc([N-]C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)n1 ZINC000863912857 887451453 /nfs/dbraw/zinc/45/14/53/887451453.db2.gz CURAQOONDHEGPY-UHFFFAOYSA-N -1 3 390.440 3.592 20 0 GHADHM CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000459336853 887467476 /nfs/dbraw/zinc/46/74/76/887467476.db2.gz PVXCETBDCADOBM-CYBMUJFWSA-N -1 3 383.330 3.529 20 0 GHADHM COCCOC(=O)c1sc2[n-]c(CSC(C)(C)C(C)C)nc(=O)c2c1C ZINC000762981577 887477151 /nfs/dbraw/zinc/47/71/51/887477151.db2.gz ZFSQJXLWOULBQT-UHFFFAOYSA-N -1 3 398.550 3.764 20 0 GHADHM Cc1cc(C)nc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000809498126 887492205 /nfs/dbraw/zinc/49/22/05/887492205.db2.gz DXYLCTZESFXAMQ-UHFFFAOYSA-N -1 3 397.236 3.963 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)cc1OC ZINC000794609285 887676236 /nfs/dbraw/zinc/67/62/36/887676236.db2.gz QSQUWEGKDOQSDO-HJWRWDBZSA-N -1 3 381.837 3.548 20 0 GHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cn1 ZINC000794616857 887682899 /nfs/dbraw/zinc/68/28/99/887682899.db2.gz PAXADLWCMXWEGG-BQYQJAHWSA-N -1 3 382.283 3.775 20 0 GHADHM CSc1nc(C)c(CCC(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c(=O)[n-]1 ZINC000032465859 887715296 /nfs/dbraw/zinc/71/52/96/887715296.db2.gz OETJNINKODHSMI-UHFFFAOYSA-N -1 3 399.520 3.545 20 0 GHADHM Cc1ccnc(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])c1Br ZINC000864504866 887809676 /nfs/dbraw/zinc/80/96/76/887809676.db2.gz REOQGYGWXBFLQX-ZDUSSCGKSA-N -1 3 397.700 3.839 20 0 GHADHM Cc1cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(Br)cc1F ZINC000864510775 887816911 /nfs/dbraw/zinc/81/69/11/887816911.db2.gz DXKVDBUAGPPJMK-YGRLFVJLSA-N -1 3 376.266 3.643 20 0 GHADHM CC(C)c1cnc(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])s1 ZINC000864527984 887828672 /nfs/dbraw/zinc/82/86/72/887828672.db2.gz KWCMWNKAFWZTFJ-CYBMUJFWSA-N -1 3 388.411 3.951 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3cc(Cl)nc(C(C)(C)C)c3)c(=O)c2c1C ZINC000864629406 887896418 /nfs/dbraw/zinc/89/64/18/887896418.db2.gz LSLIFQFEIQBYKK-UHFFFAOYSA-N -1 3 390.896 3.805 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])nnn1-c1cccc(C)c1 ZINC000054777342 888048216 /nfs/dbraw/zinc/04/82/16/888048216.db2.gz OTQHNMLXYXTGFE-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000120302462 888085669 /nfs/dbraw/zinc/08/56/69/888085669.db2.gz XUPWXUQCXSBVNZ-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000120302462 888085682 /nfs/dbraw/zinc/08/56/82/888085682.db2.gz XUPWXUQCXSBVNZ-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc3sc(N(C)C)nc3s2)c1 ZINC000194277406 888188102 /nfs/dbraw/zinc/18/81/02/888188102.db2.gz PGPMNGZMKJHMNY-UHFFFAOYSA-N -1 3 379.438 3.602 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1 ZINC000614843931 888224169 /nfs/dbraw/zinc/22/41/69/888224169.db2.gz GQILXJWQOOYGGK-UHFFFAOYSA-N -1 3 376.478 3.933 20 0 GHADHM CCc1cc2c(CN[C@@H](C)c3cc(OC)ccc3OC)cc(=O)oc2cc1[O-] ZINC000015509651 888233656 /nfs/dbraw/zinc/23/36/56/888233656.db2.gz PJFCSHYFVQATRE-ZDUSSCGKSA-N -1 3 383.444 3.929 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)o1 ZINC000644371329 913228191 /nfs/dbraw/zinc/22/81/91/913228191.db2.gz VSPYLYJEVWWHLU-UHFFFAOYSA-N -1 3 377.293 3.948 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000763207588 888289029 /nfs/dbraw/zinc/28/90/29/888289029.db2.gz BMPHSXPUYJQWLI-CYBMUJFWSA-N -1 3 383.395 3.548 20 0 GHADHM Cc1cc(=O)[n-]c(CSCCC(=O)Nc2ccc(Br)cc2)n1 ZINC000763209464 888303093 /nfs/dbraw/zinc/30/30/93/888303093.db2.gz QOYSSLNEJVNCLX-UHFFFAOYSA-N -1 3 382.283 3.515 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3cccc(OC)c3)c2)n1 ZINC000194430739 888585759 /nfs/dbraw/zinc/58/57/59/888585759.db2.gz SEYNWJKLMBGMPN-AWEZNQCLSA-N -1 3 377.444 3.750 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000810526763 888599542 /nfs/dbraw/zinc/59/95/42/888599542.db2.gz FSGNVHBDVWJLSV-STQMWFEESA-N -1 3 382.888 3.811 20 0 GHADHM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cc([O-])cc(Br)c1 ZINC000529010337 888765591 /nfs/dbraw/zinc/76/55/91/888765591.db2.gz OAAKZOBOYCDPLH-UHFFFAOYSA-N -1 3 378.270 3.839 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC3([C@H]4CCCCO4)CCC3)cc2)cc(=O)[n-]1 ZINC000866175813 888766633 /nfs/dbraw/zinc/76/66/33/888766633.db2.gz WWSSBFXIYPAJSD-GOSISDBHSA-N -1 3 382.464 3.771 20 0 GHADHM C[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)N1C(=O)c2ccccc2C1=O ZINC000810703318 888811915 /nfs/dbraw/zinc/81/19/15/888811915.db2.gz DGPXLZJVWZVXOK-SECBINFHSA-N -1 3 388.832 3.724 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000153960161 888962218 /nfs/dbraw/zinc/96/22/18/888962218.db2.gz YZYFGMBEFDFUBV-KRWDZBQOSA-N -1 3 380.916 3.522 20 0 GHADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866627547 888978394 /nfs/dbraw/zinc/97/83/94/888978394.db2.gz DCXKTFPLSKKMQB-QGZVFWFLSA-N -1 3 391.899 3.794 20 0 GHADHM O=c1[n-]c(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)nc2c1COCC2 ZINC000866629871 888982843 /nfs/dbraw/zinc/98/28/43/888982843.db2.gz SBXRSXDRHJRWNQ-KRWDZBQOSA-N -1 3 380.275 3.803 20 0 GHADHM CC/C(=C\C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000810905166 889013218 /nfs/dbraw/zinc/01/32/18/889013218.db2.gz OGAVCUXNBRHDTI-YLQKULKDSA-N -1 3 382.426 3.706 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)sc1Cl ZINC001184602880 913312627 /nfs/dbraw/zinc/31/26/27/913312627.db2.gz MXCJPFISFVGCMR-CYBMUJFWSA-N -1 3 388.942 3.808 20 0 GHADHM COCC1(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCC1 ZINC000811062401 889161682 /nfs/dbraw/zinc/16/16/82/889161682.db2.gz XBXBITAVEWPFSH-UHFFFAOYSA-N -1 3 379.254 3.813 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000532931745 889312958 /nfs/dbraw/zinc/31/29/58/889312958.db2.gz APWHGBHDPWVSNG-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)no1 ZINC000916684181 889338801 /nfs/dbraw/zinc/33/88/01/889338801.db2.gz FDZUKOGHAQPFRB-SFHVURJKSA-N -1 3 379.420 3.823 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(O)cc(C(F)(F)F)c1 ZINC000811309044 889413020 /nfs/dbraw/zinc/41/30/20/889413020.db2.gz XYFRSNZMJQPBLQ-UHFFFAOYSA-N -1 3 380.278 3.524 20 0 GHADHM C[C@H]1CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000795067700 889864670 /nfs/dbraw/zinc/86/46/70/889864670.db2.gz BSVJFDOMWPXWKJ-FZMZJTMJSA-N -1 3 398.347 3.536 20 0 GHADHM CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533158506 889870889 /nfs/dbraw/zinc/87/08/89/889870889.db2.gz BPRLNQJDAHWQFQ-UHFFFAOYSA-N -1 3 397.880 3.637 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000125365322 889968681 /nfs/dbraw/zinc/96/86/81/889968681.db2.gz YYVQMSFIUJUVLU-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=C([O-])C[C@H]1CCCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000533202856 889988696 /nfs/dbraw/zinc/98/86/96/889988696.db2.gz QGTSETLHKTVUPT-LJQANCHMSA-N -1 3 394.515 3.512 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000125650041 890065368 /nfs/dbraw/zinc/06/53/68/890065368.db2.gz YUHBDVXKWQCWDN-UHFFFAOYSA-N -1 3 391.777 3.882 20 0 GHADHM CC(C)CC[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811883108 890085358 /nfs/dbraw/zinc/08/53/58/890085358.db2.gz PVVMUKAKQJGYRK-LSDHHAIUSA-N -1 3 393.494 3.937 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)n1 ZINC000125713518 890094125 /nfs/dbraw/zinc/09/41/25/890094125.db2.gz QAYUHHRUQZUOJI-CYBMUJFWSA-N -1 3 377.485 3.727 20 0 GHADHM CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1-c1cccnc1 ZINC000122801236 890105436 /nfs/dbraw/zinc/10/54/36/890105436.db2.gz BTCOFKCMMOOWTI-UHFFFAOYSA-N -1 3 394.456 3.773 20 0 GHADHM CC(C)C[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811993249 890211830 /nfs/dbraw/zinc/21/18/30/890211830.db2.gz JIEXMKOHSQIAFZ-NVXWUHKLSA-N -1 3 399.457 3.874 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000126201945 890420662 /nfs/dbraw/zinc/42/06/62/890420662.db2.gz RMGABCYUNDZCQE-OAHLLOKOSA-N -1 3 397.313 3.788 20 0 GHADHM COc1ccccc1C1(NC(=O)c2[n-]c(=O)ccc2Cl)CCC(F)(F)CC1 ZINC001184816082 913456053 /nfs/dbraw/zinc/45/60/53/913456053.db2.gz BFCBWFGIGGOEHD-UHFFFAOYSA-N -1 3 396.821 3.710 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000126454744 890545340 /nfs/dbraw/zinc/54/53/40/890545340.db2.gz MDOBDVLGIMHINT-QFBILLFUSA-N -1 3 385.512 3.885 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000126454744 890545356 /nfs/dbraw/zinc/54/53/56/890545356.db2.gz MDOBDVLGIMHINT-QFBILLFUSA-N -1 3 385.512 3.885 20 0 GHADHM COCCCOc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126504870 890568603 /nfs/dbraw/zinc/56/86/03/890568603.db2.gz LMVPKVUPFDHVAQ-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(C(F)(F)F)cc1)c1cccnc1Cl ZINC001184898327 913490584 /nfs/dbraw/zinc/49/05/84/913490584.db2.gz PKEJBPLRNAITJR-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM CCc1nc2ccc(Cl)cn2c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000812645899 890840461 /nfs/dbraw/zinc/84/04/61/890840461.db2.gz FNNYIHFEKBSGKK-UHFFFAOYSA-N -1 3 398.806 3.663 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC000812763482 890912825 /nfs/dbraw/zinc/91/28/25/890912825.db2.gz HTXUCVBTGAZJLX-OAHLLOKOSA-N -1 3 381.476 3.926 20 0 GHADHM O=c1[n-]c(SCc2nc3c(o2)CCCC3)nc2c1cnn2Cc1ccccc1 ZINC000871678996 890969730 /nfs/dbraw/zinc/96/97/30/890969730.db2.gz SQMFCCXDSTZFNR-UHFFFAOYSA-N -1 3 393.472 3.739 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CCC2)s1 ZINC000533635312 890999049 /nfs/dbraw/zinc/99/90/49/890999049.db2.gz XIPARHRSFNWNJN-UHFFFAOYSA-N -1 3 387.324 3.572 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)co1 ZINC000917084266 891027368 /nfs/dbraw/zinc/02/73/68/891027368.db2.gz UUNDQNYKRFYDQE-LJQANCHMSA-N -1 3 391.427 3.599 20 0 GHADHM CCO[C@@H](CC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825576636 891155133 /nfs/dbraw/zinc/15/51/33/891155133.db2.gz MHHJCLZZPFQAIF-KUHUBIRLSA-N -1 3 379.464 3.526 20 0 GHADHM CCO[C@@H](CC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825576636 891155147 /nfs/dbraw/zinc/15/51/47/891155147.db2.gz MHHJCLZZPFQAIF-KUHUBIRLSA-N -1 3 379.464 3.526 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc2cccnc21 ZINC000067138608 891205811 /nfs/dbraw/zinc/20/58/11/891205811.db2.gz DQVQAPVEOJIPPI-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM [O-]c1ccc(Nc2ncc(Br)nc2N2CCCCC2)c(F)c1F ZINC001212000251 891231470 /nfs/dbraw/zinc/23/14/70/891231470.db2.gz VMJOSWPHSNPFSP-UHFFFAOYSA-N -1 3 385.212 3.957 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccsc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323470 891237602 /nfs/dbraw/zinc/23/76/02/891237602.db2.gz JVJMJSJDEDTVOS-UONOGXRCSA-N -1 3 384.270 3.950 20 0 GHADHM COc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000872323679 891239099 /nfs/dbraw/zinc/23/90/99/891239099.db2.gz QTPITHBHGXYIMM-SJORKVTESA-N -1 3 395.377 3.736 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(Br)cs2)C[C@H]1c1ccc(F)cc1 ZINC000872323693 891239171 /nfs/dbraw/zinc/23/91/71/891239171.db2.gz RTPMGZGFXSDSQW-LSDHHAIUSA-N -1 3 384.270 3.950 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825610127 891271800 /nfs/dbraw/zinc/27/18/00/891271800.db2.gz XXHRAVDBDOSXPE-UHFFFAOYSA-N -1 3 398.385 3.930 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825610127 891271813 /nfs/dbraw/zinc/27/18/13/891271813.db2.gz XXHRAVDBDOSXPE-UHFFFAOYSA-N -1 3 398.385 3.930 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)c1nc(Cc2ccccc2)no1 ZINC000644947993 913559674 /nfs/dbraw/zinc/55/96/74/913559674.db2.gz KXYOQIDNTNIDPL-SHPPYHEDSA-N -1 3 389.521 3.611 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CCOc3ccccc3)c2)n1 ZINC000813398185 891573687 /nfs/dbraw/zinc/57/36/87/891573687.db2.gz SBNIAGOOFUFCFF-GHXNOFRVSA-N -1 3 375.428 3.985 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000128300300 891600435 /nfs/dbraw/zinc/60/04/35/891600435.db2.gz SKSMKFGVHFIQMJ-LJQANCHMSA-N -1 3 392.386 3.726 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cc(C)cc1F)Cc1ccccc1 ZINC001185010173 913575585 /nfs/dbraw/zinc/57/55/85/913575585.db2.gz FOSRJTPFILIUNF-KRWDZBQOSA-N -1 3 396.503 3.505 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)cc1I ZINC000128305499 891618887 /nfs/dbraw/zinc/61/88/87/891618887.db2.gz BSGFDAOGJJXZQS-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CCCc1c(C(=O)[N-]c2nnc(CC)s2)nnn1-c1cccc(Cl)c1 ZINC000068072439 891862859 /nfs/dbraw/zinc/86/28/59/891862859.db2.gz FLSGWHVJPJNAKN-UHFFFAOYSA-N -1 3 376.873 3.539 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000068226767 892064685 /nfs/dbraw/zinc/06/46/85/892064685.db2.gz KBQIEWPJUMVNMF-UHFFFAOYSA-N -1 3 382.441 3.687 20 0 GHADHM Cc1ccc(C(=O)NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)c([O-])c1 ZINC000917514427 892119604 /nfs/dbraw/zinc/11/96/04/892119604.db2.gz KWNCCCITZXDSPB-UHFFFAOYSA-N -1 3 399.491 3.653 20 0 GHADHM CCc1cnccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825735289 892122189 /nfs/dbraw/zinc/12/21/89/892122189.db2.gz OVVIUWWBIFBEOX-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1cnccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825735289 892122198 /nfs/dbraw/zinc/12/21/98/892122198.db2.gz OVVIUWWBIFBEOX-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1[O-] ZINC000666830429 892339480 /nfs/dbraw/zinc/33/94/80/892339480.db2.gz WKQVLXLXFLLIHJ-AWEZNQCLSA-N -1 3 380.444 3.862 20 0 GHADHM CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC(F)(F)C1 ZINC000874858532 892355795 /nfs/dbraw/zinc/35/57/95/892355795.db2.gz BNHARBMNTTZTSC-UHFFFAOYSA-N -1 3 398.406 3.544 20 0 GHADHM CCN(Cc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030123997 892357998 /nfs/dbraw/zinc/35/79/98/892357998.db2.gz HZEPWGJLXQYBKY-UHFFFAOYSA-N -1 3 398.525 3.626 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000263308976 892516775 /nfs/dbraw/zinc/51/67/75/892516775.db2.gz HSFHKEZWPIUJLV-KPFFTGBYSA-N -1 3 386.536 3.690 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c[n-]1 ZINC000814529854 892862506 /nfs/dbraw/zinc/86/25/06/892862506.db2.gz ALTUOBSBRIYZDB-UHFFFAOYSA-N -1 3 396.186 3.515 20 0 GHADHM COC(=O)c1cc(C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)c[n-]1 ZINC000814529031 892862720 /nfs/dbraw/zinc/86/27/20/892862720.db2.gz OEDZXIWTEIEPGU-UHFFFAOYSA-N -1 3 379.368 3.633 20 0 GHADHM COC(=O)c1cc(C(=O)OCCOC(c2ccccc2)c2ccccc2)c[n-]1 ZINC000814531033 892863953 /nfs/dbraw/zinc/86/39/53/892863953.db2.gz BCTBMPKYOTVLCO-UHFFFAOYSA-N -1 3 379.412 3.764 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001137102699 893035829 /nfs/dbraw/zinc/03/58/29/893035829.db2.gz DCYOAOQOQYDQSX-LBPRGKRZSA-N -1 3 382.382 3.935 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cccc(Cl)c1 ZINC000129237651 893182746 /nfs/dbraw/zinc/18/27/46/893182746.db2.gz VDXOPLLRPNFMFA-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cccc(Cl)c1 ZINC000129237651 893182752 /nfs/dbraw/zinc/18/27/52/893182752.db2.gz VDXOPLLRPNFMFA-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000288384083 913750036 /nfs/dbraw/zinc/75/00/36/913750036.db2.gz PKSAELCVQCDEHO-UHFFFAOYSA-N -1 3 396.365 3.564 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C ZINC000918163215 893293116 /nfs/dbraw/zinc/29/31/16/893293116.db2.gz KQMMXPXOIUWQEI-UHFFFAOYSA-N -1 3 378.469 3.852 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000288402803 913754937 /nfs/dbraw/zinc/75/49/37/913754937.db2.gz YVSWECZFNAFESV-GFCCVEGCSA-N -1 3 395.425 3.840 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(Br)c1 ZINC000129483790 893490274 /nfs/dbraw/zinc/49/02/74/893490274.db2.gz SWXVLVGLIORDMV-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1C ZINC000774853687 913778861 /nfs/dbraw/zinc/77/88/61/913778861.db2.gz GRAKXFVXARCJKY-UHFFFAOYSA-N -1 3 394.493 3.549 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3sc4nccn4c3C)nc(=O)c2c1C ZINC000815228534 893584541 /nfs/dbraw/zinc/58/45/41/893584541.db2.gz NXIBGUWSKXDNKN-SECBINFHSA-N -1 3 388.474 3.949 20 0 GHADHM CCOc1cc(CNc2cc(C(=O)OC)cc(OC)c2OC)cc(Cl)c1[O-] ZINC000459478379 893591021 /nfs/dbraw/zinc/59/10/21/893591021.db2.gz IDSSBDMPYPNNKD-UHFFFAOYSA-N -1 3 395.839 3.860 20 0 GHADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cnn(CC2CCC2)c1 ZINC000934555781 893710745 /nfs/dbraw/zinc/71/07/45/893710745.db2.gz GGAUKSGPMITDLC-ZDUSSCGKSA-N -1 3 377.448 3.929 20 0 GHADHM Cc1cnc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1C ZINC000934705293 893834291 /nfs/dbraw/zinc/83/42/91/893834291.db2.gz URWFTRPYOJENGY-UHFFFAOYSA-N -1 3 387.867 3.548 20 0 GHADHM O=S(=O)([N-]Cc1ccc(N2CCCCCC2)nc1)c1cc(Cl)ccc1F ZINC000563554789 893895626 /nfs/dbraw/zinc/89/56/26/893895626.db2.gz RJTSGGHFALLQEL-UHFFFAOYSA-N -1 3 397.903 3.733 20 0 GHADHM Cc1ccccc1CN(Cc1ccccc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878012110 893945844 /nfs/dbraw/zinc/94/58/44/893945844.db2.gz FEXZUQKIHQTVRA-UHFFFAOYSA-N -1 3 375.472 3.766 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2[O-])o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000878223783 894105823 /nfs/dbraw/zinc/10/58/23/894105823.db2.gz RPNNLKCUZPAGSL-OAHLLOKOSA-N -1 3 380.448 3.681 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCc3sc(Br)cc3C2)o1 ZINC000878284313 894159854 /nfs/dbraw/zinc/15/98/54/894159854.db2.gz FNGKMTBNRMHYHV-UHFFFAOYSA-N -1 3 392.278 3.825 20 0 GHADHM CC(C)(C)C1CC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000563907654 894314115 /nfs/dbraw/zinc/31/41/15/894314115.db2.gz UCGAFPAYZVKKAK-UHFFFAOYSA-N -1 3 377.282 3.845 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(c3cccc(F)c3)CCOCC2)[nH][n-]1 ZINC000537118126 894336979 /nfs/dbraw/zinc/33/69/79/894336979.db2.gz UYUBMTIBEHQCHA-UHFFFAOYSA-N -1 3 379.435 3.633 20 0 GHADHM O=c1[n-]c(CNC2(c3c(Cl)cccc3Cl)CCC2)nc2c1COCC2 ZINC000878522136 894357871 /nfs/dbraw/zinc/35/78/71/894357871.db2.gz LPWVXVLHKGYCIM-UHFFFAOYSA-N -1 3 380.275 3.731 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000537182201 894539168 /nfs/dbraw/zinc/53/91/68/894539168.db2.gz CNKADSBGLGTSHC-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3C3CCOCC3)cc2)cc(=O)[n-]1 ZINC000537423587 894963392 /nfs/dbraw/zinc/96/33/92/894963392.db2.gz RUQCFBOVNDYBDD-LJQANCHMSA-N -1 3 382.464 3.581 20 0 GHADHM O=C(Nc1nccc2cc(Br)ccc21)c1nnc2ccccc2c1[O-] ZINC000816680251 895021056 /nfs/dbraw/zinc/02/10/56/895021056.db2.gz DFJSZLVRPSDHRG-UHFFFAOYSA-N -1 3 395.216 3.898 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1cccc(F)c1 ZINC001135714286 895148356 /nfs/dbraw/zinc/14/83/56/895148356.db2.gz FNJHFJSMOWDZLK-IBGZPJMESA-N -1 3 396.418 3.637 20 0 GHADHM COC(=O)[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1F ZINC000826118106 895204761 /nfs/dbraw/zinc/20/47/61/895204761.db2.gz XMMHDKWWWLLASF-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1F ZINC000826118106 895204777 /nfs/dbraw/zinc/20/47/77/895204777.db2.gz XMMHDKWWWLLASF-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)cn2)n1 ZINC001135763121 895209893 /nfs/dbraw/zinc/20/98/93/895209893.db2.gz BJBLOANRKTVGHJ-UHFFFAOYSA-N -1 3 393.834 3.631 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000565095742 895387411 /nfs/dbraw/zinc/38/74/11/895387411.db2.gz PHKKFOSVXWJUCI-UHFFFAOYSA-N -1 3 383.466 3.834 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1oc2ccccc2c1Br ZINC001135842612 895397807 /nfs/dbraw/zinc/39/78/07/895397807.db2.gz WMXYGOKUGJILIQ-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1oc2ccccc2c1Br ZINC001135842612 895397820 /nfs/dbraw/zinc/39/78/20/895397820.db2.gz WMXYGOKUGJILIQ-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565170391 895437199 /nfs/dbraw/zinc/43/71/99/895437199.db2.gz HZDYHTKVHAZFLQ-UHFFFAOYSA-N -1 3 387.745 3.906 20 0 GHADHM CCC(CC)(CO)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000565172001 895438381 /nfs/dbraw/zinc/43/83/81/895438381.db2.gz NOELPVHTKPLLPZ-UHFFFAOYSA-N -1 3 390.505 3.533 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cnc(Cl)c(Br)c1C ZINC000817356165 895526834 /nfs/dbraw/zinc/52/68/34/895526834.db2.gz GNFKFVBKSBFAQX-JTQLQIEISA-N -1 3 399.738 3.609 20 0 GHADHM CCC(CC)N([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597707 913981347 /nfs/dbraw/zinc/98/13/47/913981347.db2.gz QFLOBRIQGBGLGV-OAHLLOKOSA-N -1 3 399.520 3.807 20 0 GHADHM CCC(CC)N([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597707 913981360 /nfs/dbraw/zinc/98/13/60/913981360.db2.gz QFLOBRIQGBGLGV-OAHLLOKOSA-N -1 3 399.520 3.807 20 0 GHADHM COc1cccc([C@H]2[C@H](NC(=O)c3c([O-])cccc3Cl)CCN2C2CC2)c1 ZINC000778491450 895791058 /nfs/dbraw/zinc/79/10/58/895791058.db2.gz GUBUEPJGYCYCRU-XLIONFOSSA-N -1 3 386.879 3.762 20 0 GHADHM COc1cc(Cl)ccc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826179695 895814273 /nfs/dbraw/zinc/81/42/73/895814273.db2.gz ACPOHUAPWNBLGS-OAHLLOKOSA-N -1 3 397.788 3.922 20 0 GHADHM COc1cc(Cl)ccc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826179695 895814289 /nfs/dbraw/zinc/81/42/89/895814289.db2.gz ACPOHUAPWNBLGS-OAHLLOKOSA-N -1 3 397.788 3.922 20 0 GHADHM O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc([O-])cc(Br)c1 ZINC001136029202 895920164 /nfs/dbraw/zinc/92/01/64/895920164.db2.gz PSODLQOQCSBYAH-UHFFFAOYSA-N -1 3 376.206 3.501 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000565988011 896030753 /nfs/dbraw/zinc/03/07/53/896030753.db2.gz KNLZGAYNISTBIK-CQSZACIVSA-N -1 3 389.249 3.536 20 0 GHADHM CN(C)c1ccc([C@H](CN=c2ncnc3[nH][n-]cc2-3)c2c[nH]c3ccccc23)cc1 ZINC000818710394 896264722 /nfs/dbraw/zinc/26/47/22/896264722.db2.gz CZDDEUODGLZMIN-SFHVURJKSA-N -1 3 397.486 3.518 20 0 GHADHM COc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(OC)c1 ZINC001136177244 896316557 /nfs/dbraw/zinc/31/65/57/896316557.db2.gz DOJOOZIXJFWPEQ-UHFFFAOYSA-N -1 3 377.440 3.930 20 0 GHADHM COc1ccc2oc([C@@H](C)Nc3nc4ccccn4c3-c3nnn[n-]3)c(C)c2c1 ZINC000826213614 896355674 /nfs/dbraw/zinc/35/56/74/896355674.db2.gz DQYJNQIQJZAPGT-GFCCVEGCSA-N -1 3 389.419 3.751 20 0 GHADHM COc1ccc2oc([C@@H](C)Nc3nc4ccccn4c3-c3nn[n-]n3)c(C)c2c1 ZINC000826213614 896355694 /nfs/dbraw/zinc/35/56/94/896355694.db2.gz DQYJNQIQJZAPGT-GFCCVEGCSA-N -1 3 389.419 3.751 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000566640300 896442729 /nfs/dbraw/zinc/44/27/29/896442729.db2.gz BRLAMHADCJSVOP-UHFFFAOYSA-N -1 3 398.440 3.836 20 0 GHADHM CS[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000826226176 896515243 /nfs/dbraw/zinc/51/52/43/896515243.db2.gz UATLCVYNUOGORY-LBPRGKRZSA-N -1 3 384.962 3.584 20 0 GHADHM CS[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000826226176 896515255 /nfs/dbraw/zinc/51/52/55/896515255.db2.gz UATLCVYNUOGORY-LBPRGKRZSA-N -1 3 384.962 3.584 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)CC1 ZINC001185749882 914084313 /nfs/dbraw/zinc/08/43/13/914084313.db2.gz JVAZCYVAHCHSHK-UHFFFAOYSA-N -1 3 392.880 3.620 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000826254142 896714496 /nfs/dbraw/zinc/71/44/96/896714496.db2.gz WOCSLSRMZCRZEU-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000826254142 896714506 /nfs/dbraw/zinc/71/45/06/896714506.db2.gz WOCSLSRMZCRZEU-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)CCc2ccoc2)CC1 ZINC000826254314 896741847 /nfs/dbraw/zinc/74/18/47/896741847.db2.gz FVQRFOQBQJMDCJ-UHFFFAOYSA-N -1 3 395.463 3.667 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000129717163 896838645 /nfs/dbraw/zinc/83/86/45/896838645.db2.gz FUAJEQAMNDRNLE-KRWDZBQOSA-N -1 3 382.382 3.889 20 0 GHADHM O=S(=O)([N-][C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(Cl)s1 ZINC000882829431 897028787 /nfs/dbraw/zinc/02/87/87/897028787.db2.gz JJHVQOQTWVGDIU-CYBMUJFWSA-N -1 3 399.921 3.753 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819958842 897059423 /nfs/dbraw/zinc/05/94/23/897059423.db2.gz RILVFOZKJOWZNP-UHFFFAOYSA-N -1 3 394.454 3.576 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819958842 897059436 /nfs/dbraw/zinc/05/94/36/897059436.db2.gz RILVFOZKJOWZNP-UHFFFAOYSA-N -1 3 394.454 3.576 20 0 GHADHM Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826292628 897077358 /nfs/dbraw/zinc/07/73/58/897077358.db2.gz DMIHQTIXAXENJT-UHFFFAOYSA-N -1 3 380.477 3.857 20 0 GHADHM Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826292628 897077372 /nfs/dbraw/zinc/07/73/72/897077372.db2.gz DMIHQTIXAXENJT-UHFFFAOYSA-N -1 3 380.477 3.857 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000567595405 897280718 /nfs/dbraw/zinc/28/07/18/897280718.db2.gz GONUCHLITNCYOQ-CBGDNZLLSA-N -1 3 380.488 3.515 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342929 897280885 /nfs/dbraw/zinc/28/08/85/897280885.db2.gz YTWDLNBUVDNHSF-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342929 897280900 /nfs/dbraw/zinc/28/09/00/897280900.db2.gz YTWDLNBUVDNHSF-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)n2)o1 ZINC000567603634 897287070 /nfs/dbraw/zinc/28/70/70/897287070.db2.gz LUYZGZHFNQXIFY-UHFFFAOYSA-N -1 3 379.413 3.521 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000567716234 897355188 /nfs/dbraw/zinc/35/51/88/897355188.db2.gz AUXCKGHCELVIQG-IINYFYTJSA-N -1 3 395.684 3.862 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820561814 897395481 /nfs/dbraw/zinc/39/54/81/897395481.db2.gz AMUAUHWTCGQUJX-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820561814 897395508 /nfs/dbraw/zinc/39/55/08/897395508.db2.gz AMUAUHWTCGQUJX-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM O=C(Nc1nnc(C2CCCCC2)s1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001136358948 897423494 /nfs/dbraw/zinc/42/34/94/897423494.db2.gz LQXYSEKTINSVQM-UHFFFAOYSA-N -1 3 390.415 3.958 20 0 GHADHM Cc1ccncc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826315032 897515868 /nfs/dbraw/zinc/51/58/68/897515868.db2.gz WFFYBZZMQJXTJL-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccncc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826315032 897515877 /nfs/dbraw/zinc/51/58/77/897515877.db2.gz WFFYBZZMQJXTJL-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000568075676 897570621 /nfs/dbraw/zinc/57/06/21/897570621.db2.gz WAMRJESENPVJPG-RLFDGXBXSA-N -1 3 383.370 3.859 20 0 GHADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000568075674 897571643 /nfs/dbraw/zinc/57/16/43/897571643.db2.gz WAMRJESENPVJPG-AGKHESDQSA-N -1 3 383.370 3.859 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826323799 897599796 /nfs/dbraw/zinc/59/97/96/897599796.db2.gz RTEJSKFCFMNVEH-ZDUSSCGKSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826323799 897599806 /nfs/dbraw/zinc/59/98/06/897599806.db2.gz RTEJSKFCFMNVEH-ZDUSSCGKSA-N -1 3 399.524 3.658 20 0 GHADHM CN(C(=O)CCCCCCCNC(=O)c1ccccc1[O-])c1ccccc1N ZINC001185934538 914177912 /nfs/dbraw/zinc/17/79/12/914177912.db2.gz YIAHBYNVUKATDI-UHFFFAOYSA-N -1 3 383.492 3.708 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cccn(CC(C)C)c1=O ZINC000820981692 897651618 /nfs/dbraw/zinc/65/16/18/897651618.db2.gz SZDIJHGZXUKTIM-UHFFFAOYSA-N -1 3 379.254 3.533 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000821360990 897851956 /nfs/dbraw/zinc/85/19/56/897851956.db2.gz WXNXYGJHVQIXSQ-MHZLTWQESA-N -1 3 388.485 3.526 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1nc(-c2ccccc2F)cs1 ZINC000568581409 897957001 /nfs/dbraw/zinc/95/70/01/897957001.db2.gz ZOBOYTRDXIDHOO-UHFFFAOYSA-N -1 3 398.431 3.847 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1cccn2nccc12 ZINC001185930018 914209835 /nfs/dbraw/zinc/20/98/35/914209835.db2.gz ATMDHNRWSDMLFC-UHFFFAOYSA-N -1 3 394.475 3.749 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc3ccc(O)cc3c2[O-])N2CCCC2)o1 ZINC001136538925 898220555 /nfs/dbraw/zinc/22/05/55/898220555.db2.gz LOGXBNXSSVWPIT-IBGZPJMESA-N -1 3 380.444 3.719 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1 ZINC001136563434 898292235 /nfs/dbraw/zinc/29/22/35/898292235.db2.gz BDOQFJPNSQUYCP-UHFFFAOYSA-N -1 3 378.881 3.860 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3C[C@@H]3C)ccc2C)cc1 ZINC000569160114 898379243 /nfs/dbraw/zinc/37/92/43/898379243.db2.gz AKGXLNBQQNCSLZ-LSDHHAIUSA-N -1 3 388.489 3.789 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1cc(F)ccc1Br ZINC000799090344 898423238 /nfs/dbraw/zinc/42/32/38/898423238.db2.gz LWNUCBCNLSRQGZ-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM CCOC(=O)C1CCC(CC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000569489213 898708601 /nfs/dbraw/zinc/70/86/01/898708601.db2.gz QXWRBPFGRXQHOX-UHFFFAOYSA-N -1 3 398.297 3.531 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 ZINC000110592041 898729036 /nfs/dbraw/zinc/72/90/36/898729036.db2.gz BTONIDFSZGUVHX-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)cc1 ZINC000800198941 898732338 /nfs/dbraw/zinc/73/23/38/898732338.db2.gz AVWVRZFCMQBNLK-CYBMUJFWSA-N -1 3 399.299 3.773 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646201095 914318251 /nfs/dbraw/zinc/31/82/51/914318251.db2.gz QZNRRWYFTOSZHF-CHWSQXEVSA-N -1 3 397.406 3.579 20 0 GHADHM c1c(COc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)nc2ccccn12 ZINC000823751438 899232744 /nfs/dbraw/zinc/23/27/44/899232744.db2.gz JUPYXXAETDPIQD-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1c(COc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)nc2ccccn12 ZINC000823751438 899232759 /nfs/dbraw/zinc/23/27/59/899232759.db2.gz JUPYXXAETDPIQD-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)[N-]OCc3ccccc3)cc21 ZINC000823943395 899325587 /nfs/dbraw/zinc/32/55/87/899325587.db2.gz HMKQWIIZZWDWCX-UHFFFAOYSA-N -1 3 382.460 3.775 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC001136799527 899325669 /nfs/dbraw/zinc/32/56/69/899325669.db2.gz SUMXTMQTLMNAKU-HEHGZKQESA-N -1 3 395.459 3.547 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000824119246 899392357 /nfs/dbraw/zinc/39/23/57/899392357.db2.gz DMGVHQMJLZTAFN-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000824119246 899392369 /nfs/dbraw/zinc/39/23/69/899392369.db2.gz DMGVHQMJLZTAFN-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000824114067 899414607 /nfs/dbraw/zinc/41/46/07/899414607.db2.gz ILBCWZYWLVKSLR-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000824114067 899414616 /nfs/dbraw/zinc/41/46/16/899414616.db2.gz ILBCWZYWLVKSLR-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1Cl ZINC000156203532 899525751 /nfs/dbraw/zinc/52/57/51/899525751.db2.gz INAAQMJPDUUPIU-UHFFFAOYSA-N -1 3 396.896 3.610 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c1 ZINC000332283805 899543222 /nfs/dbraw/zinc/54/32/22/899543222.db2.gz IHGGZCINDNIPEX-CYBMUJFWSA-N -1 3 381.398 3.727 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c([O-])c1 ZINC000332318666 899570827 /nfs/dbraw/zinc/57/08/27/899570827.db2.gz NFJJZBUBQRAJEA-CYBMUJFWSA-N -1 3 381.398 3.727 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470555 899616276 /nfs/dbraw/zinc/61/62/76/899616276.db2.gz JISJWWAMZCLONM-LIRRHRJNSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470555 899616289 /nfs/dbraw/zinc/61/62/89/899616289.db2.gz JISJWWAMZCLONM-LIRRHRJNSA-N -1 3 393.516 3.997 20 0 GHADHM C[C@@H](NC(=O)COC1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477618 899622840 /nfs/dbraw/zinc/62/28/40/899622840.db2.gz AXGRYSMZIILFCC-OAHLLOKOSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)COC1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477618 899622848 /nfs/dbraw/zinc/62/28/48/899622848.db2.gz AXGRYSMZIILFCC-OAHLLOKOSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513565 899650007 /nfs/dbraw/zinc/65/00/07/899650007.db2.gz CKFBGZSQHOCHNC-ZDUSSCGKSA-N -1 3 399.458 3.625 20 0 GHADHM C[C@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513565 899650014 /nfs/dbraw/zinc/65/00/14/899650014.db2.gz CKFBGZSQHOCHNC-ZDUSSCGKSA-N -1 3 399.458 3.625 20 0 GHADHM C[C@@H](NC(=O)c1cncc(F)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824520684 899657115 /nfs/dbraw/zinc/65/71/15/899657115.db2.gz BKLDSSCPOJEIQL-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1cncc(F)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824520684 899657120 /nfs/dbraw/zinc/65/71/20/899657120.db2.gz BKLDSSCPOJEIQL-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CC(=O)C3CC3)nc(=O)c12 ZINC000119694070 899666778 /nfs/dbraw/zinc/66/67/78/899666778.db2.gz YMAIFJPONAAUGJ-UHFFFAOYSA-N -1 3 395.484 3.684 20 0 GHADHM C[C@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824663436 899751533 /nfs/dbraw/zinc/75/15/33/899751533.db2.gz ZHIHUMNINJVDMJ-NSHDSACASA-N -1 3 393.838 3.856 20 0 GHADHM C[C@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824663436 899751544 /nfs/dbraw/zinc/75/15/44/899751544.db2.gz ZHIHUMNINJVDMJ-NSHDSACASA-N -1 3 393.838 3.856 20 0 GHADHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCC(F)(F)CC1 ZINC000332650953 899826882 /nfs/dbraw/zinc/82/68/82/899826882.db2.gz YCZIVMNMFVLAFG-UHFFFAOYSA-N -1 3 399.235 3.941 20 0 GHADHM CCN(CC)C(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000120502390 899829188 /nfs/dbraw/zinc/82/91/88/899829188.db2.gz YKYRNCWEDAEMMV-NSHDSACASA-N -1 3 391.518 3.907 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824907281 899872798 /nfs/dbraw/zinc/87/27/98/899872798.db2.gz HUIRBBSMHCXZJL-YOEHRIQHSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824907281 899872816 /nfs/dbraw/zinc/87/28/16/899872816.db2.gz HUIRBBSMHCXZJL-YOEHRIQHSA-N -1 3 377.448 3.820 20 0 GHADHM CC=C(C=CC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)CC ZINC000825028972 899942474 /nfs/dbraw/zinc/94/24/74/899942474.db2.gz LHTXGMBGWLWDDN-MLJMVLIVSA-N -1 3 383.843 3.557 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1[O-] ZINC000825070775 899961877 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394.880 3.598 20 0 GHADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576412024 902004881 /nfs/dbraw/zinc/00/48/81/902004881.db2.gz VVAIFDHHHDCNAQ-UHFFFAOYSA-N -1 3 377.366 3.540 20 0 GHADHM COCCN(Cc1ccc(C)o1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000125521497 902221871 /nfs/dbraw/zinc/22/18/71/902221871.db2.gz OBESRLOQCBDFEL-UHFFFAOYSA-N -1 3 399.472 3.795 20 0 GHADHM CSc1ncc(Cl)c(C[N-]S(=O)(=O)c2csc3ccccc23)n1 ZINC001186523237 914612815 /nfs/dbraw/zinc/61/28/15/914612815.db2.gz VVWDJSDNLYOSQJ-UHFFFAOYSA-N -1 3 385.923 3.545 20 0 GHADHM CC[C@@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000290330818 914632457 /nfs/dbraw/zinc/63/24/57/914632457.db2.gz JKVAVSMKFLZSND-CVEARBPZSA-N -1 3 384.442 3.796 20 0 GHADHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144655083 902567204 /nfs/dbraw/zinc/56/72/04/902567204.db2.gz YENVEVJMXKRUNU-OAHLLOKOSA-N -1 3 378.463 3.579 20 0 GHADHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000263879153 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Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000265250628 903754897 /nfs/dbraw/zinc/75/48/97/903754897.db2.gz JMDBHJUKBMOIMU-RUZDIDTESA-N -1 3 395.546 3.709 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000290610099 914756354 /nfs/dbraw/zinc/75/63/54/914756354.db2.gz LCXIXFDAKACFGH-HUUCEWRRSA-N -1 3 377.828 3.648 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000290610101 914756741 /nfs/dbraw/zinc/75/67/41/914756741.db2.gz LCXIXFDAKACFGH-LSDHHAIUSA-N -1 3 377.828 3.648 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)Nc2ncccc2[O-])cs1 ZINC001148122269 903993447 /nfs/dbraw/zinc/99/34/47/903993447.db2.gz INPRTMMDLDFJND-GFCCVEGCSA-N -1 3 390.465 3.568 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H]1c1ccccc1 ZINC001148190375 904004597 /nfs/dbraw/zinc/00/45/97/904004597.db2.gz BQJWIEGBNBEASR-SJKOYZFVSA-N -1 3 378.881 3.545 20 0 GHADHM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCO1 ZINC001148548191 904105807 /nfs/dbraw/zinc/10/58/07/904105807.db2.gz WQTZJXSZVXWWGO-SFHVURJKSA-N -1 3 382.847 3.704 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2cccc3c2cnn3C(=O)OC(C)(C)C)ccc1[O-] ZINC001148665047 904164230 /nfs/dbraw/zinc/16/42/30/904164230.db2.gz WBRODEYNXWTHDA-UHFFFAOYSA-N -1 3 395.415 3.980 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cc1C ZINC000578962743 904260309 /nfs/dbraw/zinc/26/03/09/904260309.db2.gz AUWOBYLFYYMLMF-UHFFFAOYSA-N -1 3 388.489 3.628 20 0 GHADHM CC[C@@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)Oc1cccc(F)c1 ZINC001148977492 904269615 /nfs/dbraw/zinc/26/96/15/904269615.db2.gz FOZUGDCGALYYOY-LBPRGKRZSA-N -1 3 390.361 3.533 20 0 GHADHM COCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H]1CCC[C@H]1C ZINC000578991120 904281101 /nfs/dbraw/zinc/28/11/01/904281101.db2.gz CQYBPNYECJCBLY-AUUYWEPGSA-N -1 3 384.480 3.827 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C)cn3)cc2)cc1 ZINC000159900329 904302199 /nfs/dbraw/zinc/30/21/99/904302199.db2.gz PZEVOKSOFCDNTO-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM O=S(=O)(Cc1ccccc1Br)[N-]c1cncc2ccccc21 ZINC000579399955 904565896 /nfs/dbraw/zinc/56/58/96/904565896.db2.gz FDTSVSOTTCPPNU-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)o1 ZINC000773326414 904715774 /nfs/dbraw/zinc/71/57/74/904715774.db2.gz USEIXIKKRCXVJF-CQSZACIVSA-N -1 3 394.493 3.652 20 0 GHADHM CN1CCN(c2ccccc2C(=O)Nc2c(Cl)ccc([O-])c2Cl)CC1 ZINC001186897791 914860590 /nfs/dbraw/zinc/86/05/90/914860590.db2.gz ONYYVRPCQDYZII-UHFFFAOYSA-N -1 3 380.275 3.703 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000173649351 905086308 /nfs/dbraw/zinc/08/63/08/905086308.db2.gz GRJNVQJTTUCFNJ-QFIPXVFZSA-N -1 3 382.508 3.502 20 0 GHADHM COc1cccc(C2CCN(Cc3cn(-c4ccccc4)nc3C(=O)[O-])CC2)c1 ZINC000901455870 921124527 /nfs/dbraw/zinc/12/45/27/921124527.db2.gz AARNQAQILIAXOX-UHFFFAOYSA-N -1 3 391.471 3.959 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CO ZINC000627572150 905622545 /nfs/dbraw/zinc/62/25/45/905622545.db2.gz UTHBHQYOYMLLSF-LLVKDONJSA-N -1 3 393.365 3.875 20 0 GHADHM C/C(=C/c1ccccc1C(F)(F)F)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524358 921201520 /nfs/dbraw/zinc/20/15/20/921201520.db2.gz GIIBUPRWOKCSRR-CTXBLAANSA-N -1 3 394.397 3.736 20 0 GHADHM Cc1ccc(-c2ccc(CN3CCC[C@@H](n4cc(C(=O)[O-])nn4)C3)s2)cc1 ZINC000901525792 921203554 /nfs/dbraw/zinc/20/35/54/921203554.db2.gz RRSNPKLBCWAIII-MRXNPFEDSA-N -1 3 382.489 3.850 20 0 GHADHM Cc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000777324272 906098753 /nfs/dbraw/zinc/09/87/53/906098753.db2.gz DFFURHJWYTZNOG-AWEZNQCLSA-N -1 3 378.432 3.853 20 0 GHADHM O=C([O-])C[C@]1(NCc2ccc(-c3cccc(Br)c3)o2)CCCOC1 ZINC000901527898 921205766 /nfs/dbraw/zinc/20/57/66/921205766.db2.gz VPJIWIRBJOBFQU-GOSISDBHSA-N -1 3 394.265 3.823 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000178707947 906374072 /nfs/dbraw/zinc/37/40/72/906374072.db2.gz PLSXJONJYJGNRT-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM Cc1nnc(CS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1C ZINC000179807510 906603766 /nfs/dbraw/zinc/60/37/66/906603766.db2.gz MPNZVDTUCQJNJR-VIFPVBQESA-N -1 3 387.490 3.676 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1C ZINC000629332143 906715182 /nfs/dbraw/zinc/71/51/82/906715182.db2.gz GIIMWQFSKDTQEH-LBPRGKRZSA-N -1 3 388.489 3.583 20 0 GHADHM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1F ZINC001173966377 906751923 /nfs/dbraw/zinc/75/19/23/906751923.db2.gz CLRGJMDTOKCIIC-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM Cc1cc(F)ccc1Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1[O-] ZINC001173967898 906752408 /nfs/dbraw/zinc/75/24/08/906752408.db2.gz ILFWCMLPTWPHIB-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c([O-])cccc1O ZINC000630025984 907100549 /nfs/dbraw/zinc/10/05/49/907100549.db2.gz ACRFCDGJSRZRGK-DGCLKSJQSA-N -1 3 376.250 3.879 20 0 GHADHM CCOc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)[n-]1 ZINC001174745154 907205486 /nfs/dbraw/zinc/20/54/86/907205486.db2.gz NIQXALRXFHUSIZ-UHFFFAOYSA-N -1 3 389.415 3.680 20 0 GHADHM CCOc1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)n[n-]1 ZINC001174745154 907205502 /nfs/dbraw/zinc/20/55/02/907205502.db2.gz NIQXALRXFHUSIZ-UHFFFAOYSA-N -1 3 389.415 3.680 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)n1 ZINC001174745154 907205517 /nfs/dbraw/zinc/20/55/17/907205517.db2.gz NIQXALRXFHUSIZ-UHFFFAOYSA-N -1 3 389.415 3.680 20 0 GHADHM CCCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000182726434 907257237 /nfs/dbraw/zinc/25/72/37/907257237.db2.gz AHTBHWXKTQLPAL-UHFFFAOYSA-N -1 3 376.356 3.702 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1N ZINC001174853821 907258597 /nfs/dbraw/zinc/25/85/97/907258597.db2.gz VZGYPDARQOBGIN-UHFFFAOYSA-N -1 3 399.316 3.689 20 0 GHADHM CO[C@H](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000182951930 907299626 /nfs/dbraw/zinc/29/96/26/907299626.db2.gz FUVPRIYPKPOKGA-OAHLLOKOSA-N -1 3 376.478 3.549 20 0 GHADHM Brc1cccc(Cn2nccc2Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175427616 907546327 /nfs/dbraw/zinc/54/63/27/907546327.db2.gz ODMPQGWYFZFCQO-UHFFFAOYSA-N -1 3 396.252 3.618 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](CF)C3)c2)cc1 ZINC001175968614 907844968 /nfs/dbraw/zinc/84/49/68/907844968.db2.gz CZYUKNFTXSOHHN-INIZCTEOSA-N -1 3 390.480 3.536 20 0 GHADHM CN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CCN(Cc2ccccc2)CC1 ZINC000186354975 907912226 /nfs/dbraw/zinc/91/22/26/907912226.db2.gz KSLCZKUCJBUAFW-UHFFFAOYSA-N -1 3 378.394 3.546 20 0 GHADHM O=C(NCc1ccnc(-c2ccccn2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001176116271 907947249 /nfs/dbraw/zinc/94/72/49/907947249.db2.gz XUMCUXASOZZLNL-UHFFFAOYSA-N -1 3 396.450 3.765 20 0 GHADHM CC(C)n1cnc2ccc(CNC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc21 ZINC001176759199 908255720 /nfs/dbraw/zinc/25/57/20/908255720.db2.gz IUCARKJKDRBQRN-UHFFFAOYSA-N -1 3 396.397 3.667 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000366230315 921397906 /nfs/dbraw/zinc/39/79/06/921397906.db2.gz LNGWOSWZRCDSEO-FQEVSTJZSA-N -1 3 392.499 3.800 20 0 GHADHM CCCO[C@H](C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccc(F)cc1C ZINC001176858818 908298401 /nfs/dbraw/zinc/29/84/01/908298401.db2.gz NEILNFULXSCQFO-SFHVURJKSA-N -1 3 385.439 3.517 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@@H](C(F)(F)F)CC1 ZINC001176902442 908314987 /nfs/dbraw/zinc/31/49/87/908314987.db2.gz FVKYLCAVOKSCFX-QGZVFWFLSA-N -1 3 381.350 3.978 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001176912960 908318888 /nfs/dbraw/zinc/31/88/88/908318888.db2.gz OLUBZYRSCXJPBS-UHFFFAOYSA-N -1 3 383.345 3.800 20 0 GHADHM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001176993163 908352075 /nfs/dbraw/zinc/35/20/75/908352075.db2.gz DKQHDIRSPRSKEM-QGZVFWFLSA-N -1 3 379.287 3.980 20 0 GHADHM O=C(NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001177430494 908587678 /nfs/dbraw/zinc/58/76/78/908587678.db2.gz PGQLSCAHLSDQGV-MAUKXSAKSA-N -1 3 379.378 3.823 20 0 GHADHM COc1cc(/C=C2/NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-] ZINC000193717774 908654213 /nfs/dbraw/zinc/65/42/13/908654213.db2.gz UFFRQLDJPGEVBY-OVCLIPMQSA-N -1 3 388.876 3.933 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(-c2ccccn2)ccc1Cl ZINC001177644899 908699267 /nfs/dbraw/zinc/69/92/67/908699267.db2.gz KGNMUVBWZRSUET-UHFFFAOYSA-N -1 3 380.835 3.705 20 0 GHADHM CCCS(=O)(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000193260105 908861012 /nfs/dbraw/zinc/86/10/12/908861012.db2.gz NJWBSKRSCSJITI-UHFFFAOYSA-N -1 3 376.503 3.593 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nc2ccc(Br)cn2c1F ZINC001178273008 908977829 /nfs/dbraw/zinc/97/78/29/908977829.db2.gz BFDGVDXCFFFKFB-UHFFFAOYSA-N -1 3 381.205 3.908 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2ccccc2c1 ZINC000195330567 908997793 /nfs/dbraw/zinc/99/77/93/908997793.db2.gz PFXKRLCLIORMQL-UHFFFAOYSA-N -1 3 384.439 3.865 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266195306 909032468 /nfs/dbraw/zinc/03/24/68/909032468.db2.gz FZASMFWRKKNRGD-HOCLYGCPSA-N -1 3 399.491 3.754 20 0 GHADHM CN(Cc1cccc(C(=O)[O-])c1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000635016627 909101434 /nfs/dbraw/zinc/10/14/34/909101434.db2.gz AMRVNFNFLIICGD-INIZCTEOSA-N -1 3 384.259 3.563 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F)c1ccco1 ZINC000779952564 909141212 /nfs/dbraw/zinc/14/12/12/909141212.db2.gz YKOGRPCXHMTJLH-CYBMUJFWSA-N -1 3 398.843 3.676 20 0 GHADHM Cc1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cnn1-c1cccc(Cl)c1 ZINC000636319250 909536061 /nfs/dbraw/zinc/53/60/61/909536061.db2.gz OHSNFLVUBYWSLN-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM CC(C)n1ncc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1-c1ccccc1 ZINC000636321013 909541259 /nfs/dbraw/zinc/54/12/59/909541259.db2.gz PGDQKTHILJTGAS-UHFFFAOYSA-N -1 3 391.475 3.824 20 0 GHADHM CCc1nc2ccccc2c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1C ZINC000636320729 909541587 /nfs/dbraw/zinc/54/15/87/909541587.db2.gz IRSCPIANIAYIOD-UHFFFAOYSA-N -1 3 376.460 3.799 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636321127 909541855 /nfs/dbraw/zinc/54/18/55/909541855.db2.gz CZDOTZGCBXQLCR-UHFFFAOYSA-N -1 3 381.476 3.654 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cccc(F)c1OC(F)(F)F ZINC000636358628 909561744 /nfs/dbraw/zinc/56/17/44/909561744.db2.gz FVEBELNKGHZORX-SECBINFHSA-N -1 3 377.319 3.680 20 0 GHADHM Cc1ccc(F)c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1Br ZINC000636357578 909561856 /nfs/dbraw/zinc/56/18/56/909561856.db2.gz HMPBOIQFUWYTSY-SECBINFHSA-N -1 3 386.246 3.852 20 0 GHADHM O=S(=O)(c1cccc(CNCc2cccc([O-])c2Cl)c1)C(F)(F)F ZINC001179830707 909752540 /nfs/dbraw/zinc/75/25/40/909752540.db2.gz VNBLXVPMZQAKSQ-UHFFFAOYSA-N -1 3 379.787 3.629 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(CN3CCCC3)n2-c2ccccc2)n1 ZINC000268312262 909831087 /nfs/dbraw/zinc/83/10/87/909831087.db2.gz HWXKZGKCXHQKGL-OAHLLOKOSA-N -1 3 396.520 3.520 20 0 GHADHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000268379647 909856507 /nfs/dbraw/zinc/85/65/07/909856507.db2.gz JEYRGMNFLATEHV-VIFPVBQESA-N -1 3 387.433 3.541 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)c2ccccc21 ZINC000773844321 910042924 /nfs/dbraw/zinc/04/29/24/910042924.db2.gz BNRYENZNVWTZHS-UHFFFAOYSA-N -1 3 398.415 3.523 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Cc1ccc(Br)cc1 ZINC000795377693 910102771 /nfs/dbraw/zinc/10/27/71/910102771.db2.gz IMBVQDSQGBDLHY-UHFFFAOYSA-N -1 3 378.247 3.961 20 0 GHADHM COc1cc(CN[C@@H](CC(F)(F)F)C(=O)[O-])ccc1OCc1ccccc1 ZINC000901780949 921558274 /nfs/dbraw/zinc/55/82/74/921558274.db2.gz VLAKXSXVYDLOAT-HNNXBMFYSA-N -1 3 383.366 3.769 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001180832177 910367927 /nfs/dbraw/zinc/36/79/27/910367927.db2.gz DBCYHLIEBUBYCT-CYBMUJFWSA-N -1 3 398.536 3.573 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cnc4n3[C@@H](C)CCC4)n[n-]2)cc1 ZINC001180842629 910374168 /nfs/dbraw/zinc/37/41/68/910374168.db2.gz ICFWPWHPNSKDDV-ZDUSSCGKSA-N -1 3 382.493 3.752 20 0 GHADHM Cc1cc(C)n(CCCC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)n1 ZINC001180842713 910375175 /nfs/dbraw/zinc/37/51/75/910375175.db2.gz JTGNEGFBSMGFFJ-UHFFFAOYSA-N -1 3 384.509 3.638 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cnc4n3[C@H](C)CCC4)n[n-]2)cc1 ZINC001180842613 910375774 /nfs/dbraw/zinc/37/57/74/910375774.db2.gz ICFWPWHPNSKDDV-CYBMUJFWSA-N -1 3 382.493 3.752 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC001180916286 910426885 /nfs/dbraw/zinc/42/68/85/910426885.db2.gz OKBHYCPJYJWADF-UHFFFAOYSA-N -1 3 385.313 3.908 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1nn(-c2ccccc2)cc1Br ZINC001274532860 910679607 /nfs/dbraw/zinc/67/96/07/910679607.db2.gz KPLCNNNNWZPPPI-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C12CC(C1)CCN2Cc1ccccc1 ZINC001181492198 910794793 /nfs/dbraw/zinc/79/47/93/910794793.db2.gz WJIWFXZNUZVKAE-UHFFFAOYSA-N -1 3 388.471 3.571 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640302902 910959853 /nfs/dbraw/zinc/95/98/53/910959853.db2.gz VBZNOIUKDQOOJB-HAQNSBGRSA-N -1 3 386.805 3.897 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC(CC(F)(F)F)CC1 ZINC000640301930 910960167 /nfs/dbraw/zinc/96/01/67/910960167.db2.gz NQIAVBYIVHGVSF-UHFFFAOYSA-N -1 3 392.731 3.717 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)[n-]1 ZINC000640313076 910965055 /nfs/dbraw/zinc/96/50/55/910965055.db2.gz RGYDWEZMKCXBNW-LBPRGKRZSA-N -1 3 395.276 3.545 20 0 GHADHM CC(=O)CCCc1cn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nn1 ZINC000640795233 911191010 /nfs/dbraw/zinc/19/10/10/911191010.db2.gz SCTIWKBHACXSRD-UHFFFAOYSA-N -1 3 393.472 3.615 20 0 GHADHM COc1ccc(COCc2cccc(NC([O-])=NO[C@H]3CCCCO3)c2)cc1 ZINC000274175902 911251205 /nfs/dbraw/zinc/25/12/05/911251205.db2.gz JLUKPMXGEMNPNA-FQEVSTJZSA-N -1 3 386.448 3.992 20 0 GHADHM COc1ccc(COCc2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c2)cc1 ZINC000274175902 911251214 /nfs/dbraw/zinc/25/12/14/911251214.db2.gz JLUKPMXGEMNPNA-FQEVSTJZSA-N -1 3 386.448 3.992 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)cc1 ZINC000091926546 911340118 /nfs/dbraw/zinc/34/01/18/911340118.db2.gz RMZFWYFRZSTMSO-UHFFFAOYSA-N -1 3 375.428 3.664 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCc2cc(Br)ccc2O1 ZINC001182255724 911351783 /nfs/dbraw/zinc/35/17/83/911351783.db2.gz DINRYFRVNGFBPN-MRXNPFEDSA-N -1 3 390.233 3.690 20 0 GHADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000641762523 911507296 /nfs/dbraw/zinc/50/72/96/911507296.db2.gz LSNUOPBNQFMSAD-UHFFFAOYSA-N -1 3 389.415 3.509 20 0 GHADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000641762523 911507305 /nfs/dbraw/zinc/50/73/05/911507305.db2.gz LSNUOPBNQFMSAD-UHFFFAOYSA-N -1 3 389.415 3.509 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000641980120 911643081 /nfs/dbraw/zinc/64/30/81/911643081.db2.gz HODLHVQIIASJAN-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000641980120 911643093 /nfs/dbraw/zinc/64/30/93/911643093.db2.gz HODLHVQIIASJAN-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM CCCCOc1cc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)ccc1OC ZINC000901882800 921686926 /nfs/dbraw/zinc/68/69/26/921686926.db2.gz NDOIMPJLVNGVJD-UHFFFAOYSA-N -1 3 387.480 3.606 20 0 GHADHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cnc(-c2ccccn2)nc1 ZINC001182656000 911957233 /nfs/dbraw/zinc/95/72/33/911957233.db2.gz HORRVWPABGWEHN-UHFFFAOYSA-N -1 3 392.469 3.794 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2nc3ccccc3n2CC)c([O-])c1 ZINC001182698528 911978908 /nfs/dbraw/zinc/97/89/08/911978908.db2.gz LSTRRQKABYNLIW-UHFFFAOYSA-N -1 3 381.476 3.913 20 0 GHADHM CC(C)n1cc2ccc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)cc2n1 ZINC001182787158 912050960 /nfs/dbraw/zinc/05/09/60/912050960.db2.gz VKVFVLCJBZHSAF-UHFFFAOYSA-N -1 3 382.370 3.989 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CCC(=O)OC2CCCCC2)c([O-])c1 ZINC001182905524 912131765 /nfs/dbraw/zinc/13/17/65/912131765.db2.gz LMGPDVPBVDNXPU-UHFFFAOYSA-N -1 3 391.464 3.942 20 0 GHADHM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646873650 914898918 /nfs/dbraw/zinc/89/89/18/914898918.db2.gz UVUKXPVATWLVPC-UHFFFAOYSA-N -1 3 393.340 3.708 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(F)cc3C)C2)cc1F ZINC001187012382 914941999 /nfs/dbraw/zinc/94/19/99/914941999.db2.gz OERBTOIJUHNGAL-HNNXBMFYSA-N -1 3 398.450 3.668 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cnc2c(C3CC3)cnn2c1 ZINC001187044002 914978449 /nfs/dbraw/zinc/97/84/49/914978449.db2.gz RNYUZEUAECRAOD-UHFFFAOYSA-N -1 3 397.287 3.855 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1)c1ccc(Cl)c2nonc21 ZINC001187047861 914982271 /nfs/dbraw/zinc/98/22/71/914982271.db2.gz FIJILLGAQQCFHG-AWEZNQCLSA-N -1 3 377.853 3.696 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000291205029 915036407 /nfs/dbraw/zinc/03/64/07/915036407.db2.gz UUPXKLLQZONLJE-VXGBXAGGSA-N -1 3 391.821 3.501 20 0 GHADHM O=S(=O)([N-][C@H](CCO)C1CCCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC001187242674 915109161 /nfs/dbraw/zinc/10/91/61/915109161.db2.gz YQYGFYAZIPYMMO-CQSZACIVSA-N -1 3 399.862 3.968 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]CCSCc1c(Cl)cccc1Cl ZINC001187391882 915246189 /nfs/dbraw/zinc/24/61/89/915246189.db2.gz SWRMVIWEWKEGBP-UHFFFAOYSA-N -1 3 381.306 3.502 20 0 GHADHM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C)c(F)cc3F)C2)cc1 ZINC001187432554 915287299 /nfs/dbraw/zinc/28/72/99/915287299.db2.gz HETZZDFIGCNCOA-HNNXBMFYSA-N -1 3 380.460 3.529 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cn(C(C)C)cc1C(F)(F)F ZINC001187781874 915543800 /nfs/dbraw/zinc/54/38/00/915543800.db2.gz AEOZTSAPOWFIPE-UHFFFAOYSA-N -1 3 388.317 3.971 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)CC(C)C ZINC001187791984 915552825 /nfs/dbraw/zinc/55/28/25/915552825.db2.gz SOFUWQPVXXTTPO-UHFFFAOYSA-N -1 3 396.322 3.947 20 0 GHADHM CC1(C)C[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c2ccccc2O1 ZINC000648430863 915698828 /nfs/dbraw/zinc/69/88/28/915698828.db2.gz ASHXVXUBUCBYJJ-NSHDSACASA-N -1 3 387.789 3.804 20 0 GHADHM COc1ccc(-c2nnsc2[N-]C(=O)c2ncsc2C(F)(F)F)cc1 ZINC001188206231 915828789 /nfs/dbraw/zinc/82/87/89/915828789.db2.gz FUSLPGFCUSXQQH-UHFFFAOYSA-N -1 3 386.380 3.941 20 0 GHADHM O=S(=O)([N-][C@H](CF)c1ccccc1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188260051 915860288 /nfs/dbraw/zinc/86/02/88/915860288.db2.gz UGFKCVZAVPVENO-GFCCVEGCSA-N -1 3 382.766 3.743 20 0 GHADHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001188336748 915894954 /nfs/dbraw/zinc/89/49/54/915894954.db2.gz JPXFMASQXSUKQP-UHFFFAOYSA-N -1 3 389.851 3.846 20 0 GHADHM Cc1ccc(CC2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)cc1C ZINC000292932576 915909485 /nfs/dbraw/zinc/90/94/85/915909485.db2.gz TYYAOQCIIBDADN-UHFFFAOYSA-N -1 3 381.520 3.830 20 0 GHADHM O=c1cc(CSc2n[nH]c(-c3ccccc3O)n2)nc(-c2ccccc2)[n-]1 ZINC001188383670 915914588 /nfs/dbraw/zinc/91/45/88/915914588.db2.gz GRGWPBPRKBINOR-UHFFFAOYSA-N -1 3 377.429 3.632 20 0 GHADHM CCCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1CCc2ncsc2C1 ZINC000649162712 916046942 /nfs/dbraw/zinc/04/69/42/916046942.db2.gz XLEDZWIUYYTMSB-OAHLLOKOSA-N -1 3 387.505 3.607 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1ncc(Cl)cc1F ZINC001188649259 916077593 /nfs/dbraw/zinc/07/75/93/916077593.db2.gz ILMGLCPSOSVWGP-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CC(=O)Oc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC001188894714 916284378 /nfs/dbraw/zinc/28/43/78/916284378.db2.gz POTOXRCYGFARRH-UHFFFAOYSA-N -1 3 384.413 3.600 20 0 GHADHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1(C)C ZINC001188970632 916317959 /nfs/dbraw/zinc/31/79/59/916317959.db2.gz ZEEPDRMCJBTFBM-KBPBESRZSA-N -1 3 383.407 3.715 20 0 GHADHM Cc1cc(=O)c2ccc([N-]S(=O)(=O)CCc3ccc(Cl)cc3)cc2o1 ZINC001189109220 916385030 /nfs/dbraw/zinc/38/50/30/916385030.db2.gz VUIAIRPNCZSSPJ-UHFFFAOYSA-N -1 3 377.849 3.739 20 0 GHADHM O=c1[nH]ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1Cl ZINC001189149335 916432689 /nfs/dbraw/zinc/43/26/89/916432689.db2.gz PMVWEYHNBPUKOG-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1NC(=O)c1cnn[n-]1 ZINC001189337545 916565398 /nfs/dbraw/zinc/56/53/98/916565398.db2.gz FPNYHHMABOBQIQ-UHFFFAOYSA-N -1 3 384.461 3.771 20 0 GHADHM COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1NC(=O)c1c[n-]nn1 ZINC001189337545 916565408 /nfs/dbraw/zinc/56/54/08/916565408.db2.gz FPNYHHMABOBQIQ-UHFFFAOYSA-N -1 3 384.461 3.771 20 0 GHADHM COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1NC(=O)c1cn[n-]n1 ZINC001189337545 916565415 /nfs/dbraw/zinc/56/54/15/916565415.db2.gz FPNYHHMABOBQIQ-UHFFFAOYSA-N -1 3 384.461 3.771 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000294193185 916641698 /nfs/dbraw/zinc/64/16/98/916641698.db2.gz NMOXBADTSZECSW-KPZWWZAWSA-N -1 3 390.842 3.667 20 0 GHADHM COCCC1([N-]S(=O)(=O)c2cc(OC)ccc2Cl)CCC(F)(F)CC1 ZINC001189638016 916765726 /nfs/dbraw/zinc/76/57/26/916765726.db2.gz YPCUUCDCDDAVSS-UHFFFAOYSA-N -1 3 397.871 3.612 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1cc(Br)ccc1Cl ZINC001189765901 916902058 /nfs/dbraw/zinc/90/20/58/916902058.db2.gz RJUGZYZWSDHCFC-JSGCOSHPSA-N -1 3 386.698 3.937 20 0 GHADHM CCOC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC001189774258 916908848 /nfs/dbraw/zinc/90/88/48/916908848.db2.gz WXHMCHLQZIOAQV-UHFFFAOYSA-N -1 3 396.734 3.729 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC001189760253 916930648 /nfs/dbraw/zinc/93/06/48/916930648.db2.gz PEFFNVQTDPYMPK-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC001189977754 917006744 /nfs/dbraw/zinc/00/67/44/917006744.db2.gz OVWYVRDAULDBCX-UHFFFAOYSA-N -1 3 397.387 3.645 20 0 GHADHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CCCC2 ZINC000650483442 917009037 /nfs/dbraw/zinc/00/90/37/917009037.db2.gz FNWQQTQHWZHBPA-UHFFFAOYSA-N -1 3 390.358 3.625 20 0 GHADHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001189998107 917054470 /nfs/dbraw/zinc/05/44/70/917054470.db2.gz ZVEGWANWRYTBLZ-GFCCVEGCSA-N -1 3 383.316 3.531 20 0 GHADHM CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(Cl)Cl ZINC001190364440 917257039 /nfs/dbraw/zinc/25/70/39/917257039.db2.gz RUOKOQBQFBNIHB-AWEZNQCLSA-N -1 3 384.300 3.865 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC001190592790 917435925 /nfs/dbraw/zinc/43/59/25/917435925.db2.gz CAYJNNPYBFCGRR-SFHVURJKSA-N -1 3 393.892 3.946 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(OC(C)C)c1 ZINC000295714510 917441318 /nfs/dbraw/zinc/44/13/18/917441318.db2.gz KEIGCMSUAZMUHF-UHFFFAOYSA-N -1 3 392.459 3.911 20 0 GHADHM O=S(=O)([N-]Cc1coc2ccccc12)c1ccc(C(F)(F)F)nc1Cl ZINC001190603862 917444630 /nfs/dbraw/zinc/44/46/30/917444630.db2.gz QBLBNUISZOBSRD-UHFFFAOYSA-N -1 3 390.770 3.979 20 0 GHADHM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnc(-c2ccccn2)nc1O ZINC001190632717 917465011 /nfs/dbraw/zinc/46/50/11/917465011.db2.gz NOCJHZHOFZUKLF-UHFFFAOYSA-N -1 3 377.187 3.509 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001190958994 917664902 /nfs/dbraw/zinc/66/49/02/917664902.db2.gz QTMQZHCBSIYYSP-VFZGTOFNSA-N -1 3 375.343 3.645 20 0 GHADHM Cc1cccc(CNC(=O)Nc2ccc(I)cc2[O-])c1 ZINC001191001409 917698210 /nfs/dbraw/zinc/69/82/10/917698210.db2.gz MVNREIVJEUIYGY-UHFFFAOYSA-N -1 3 382.201 3.627 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(Br)cnc2F)c1 ZINC001191150572 917786247 /nfs/dbraw/zinc/78/62/47/917786247.db2.gz GZZCUFIYQMRXRH-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(Cl)nnc2Cl)c1 ZINC001191272590 917885053 /nfs/dbraw/zinc/88/50/53/917885053.db2.gz ZPKWTQHHYAWAGP-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CN(Cc1nccn1Cc1ccccc1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001191288199 917897628 /nfs/dbraw/zinc/89/76/28/917897628.db2.gz DFDKUECFRCTNBI-UHFFFAOYSA-N -1 3 385.471 3.726 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@]1(C)C(=O)[O-] ZINC000652485739 917909059 /nfs/dbraw/zinc/90/90/59/917909059.db2.gz HKVIPFNJRVVQHN-DIFFPNOSSA-N -1 3 379.254 3.647 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C1CC1 ZINC001191333837 917938940 /nfs/dbraw/zinc/93/89/40/917938940.db2.gz RWNOOLPLWSVJKH-ZIAGYGMSSA-N -1 3 393.530 3.793 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)cc1 ZINC001191451402 917982965 /nfs/dbraw/zinc/98/29/65/917982965.db2.gz WOHKVTNIOTWIPD-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)CC2CCCC2)cc1C(F)(F)F ZINC001191535116 918049607 /nfs/dbraw/zinc/04/96/07/918049607.db2.gz FENUXZLOMVPTQT-UHFFFAOYSA-N -1 3 379.400 3.814 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)c(C)c1Cl ZINC001191547262 918066532 /nfs/dbraw/zinc/06/65/32/918066532.db2.gz QUEYAOHJUUKTMK-NWDGAFQWSA-N -1 3 391.942 3.744 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)C1=Cc2ccccc2OCC1 ZINC001191827390 918250559 /nfs/dbraw/zinc/25/05/59/918250559.db2.gz AHQBEQPZFSYRIO-LJQANCHMSA-N -1 3 396.468 3.701 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cn(-c3ccc(C)cc3)nc2C)cc1 ZINC000653502906 918271392 /nfs/dbraw/zinc/27/13/92/918271392.db2.gz RUYHRMWCHOUTAG-OAQYLSRUSA-N -1 3 379.460 3.803 20 0 GHADHM CCCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccc(Cl)cc1 ZINC001191974136 918347368 /nfs/dbraw/zinc/34/73/68/918347368.db2.gz XGAWSSMOAFZKBY-UHFFFAOYSA-N -1 3 398.776 3.867 20 0 GHADHM CCCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(Cl)cc1 ZINC001191974136 918347384 /nfs/dbraw/zinc/34/73/84/918347384.db2.gz XGAWSSMOAFZKBY-UHFFFAOYSA-N -1 3 398.776 3.867 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000115877519 919476611 /nfs/dbraw/zinc/47/66/11/919476611.db2.gz YARHEDPNRATNIV-QGZVFWFLSA-N -1 3 397.855 3.695 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(CSC)cc2)cc1OC ZINC000900024812 919757312 /nfs/dbraw/zinc/75/73/12/919757312.db2.gz ALYOOYQDQLDZRS-KRWDZBQOSA-N -1 3 375.490 3.872 20 0 GHADHM COc1ccc(OCc2nc(CNC[C@@H]3CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000900061949 919786614 /nfs/dbraw/zinc/78/66/14/919786614.db2.gz DDQAVUORHBIHQC-KSSFIOAISA-N -1 3 390.505 3.711 20 0 GHADHM O=C([O-])C[C@@H](CNCc1coc(-c2ccccc2)n1)c1ccc2c(c1)CCO2 ZINC000900064462 919791902 /nfs/dbraw/zinc/79/19/02/919791902.db2.gz WENFPIOICVUWFI-SFHVURJKSA-N -1 3 378.428 3.625 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(F)cc4[n-]nnc43)o2)cc1C ZINC000800262834 919803678 /nfs/dbraw/zinc/80/36/78/919803678.db2.gz AKLGXQDYEPWRQU-NSHDSACASA-N -1 3 381.367 3.682 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(F)cc4nn[n-]c43)o2)cc1C ZINC000800262834 919803687 /nfs/dbraw/zinc/80/36/87/919803687.db2.gz AKLGXQDYEPWRQU-NSHDSACASA-N -1 3 381.367 3.682 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(F)cc4n[n-]nc43)o2)cc1C ZINC000800262834 919803698 /nfs/dbraw/zinc/80/36/98/919803698.db2.gz AKLGXQDYEPWRQU-NSHDSACASA-N -1 3 381.367 3.682 20 0 GHADHM CCOC(=O)Oc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000800525154 920242609 /nfs/dbraw/zinc/24/26/09/920242609.db2.gz RVBPQRXCKZIEHW-UHFFFAOYSA-N -1 3 380.194 3.942 20 0 GHADHM COc1ccc(CCS(=O)(=O)[N-]c2ccc(OC)cc2C(F)(F)F)cc1 ZINC000800785389 920460009 /nfs/dbraw/zinc/46/00/09/920460009.db2.gz HPXPFGWGUNLKBD-UHFFFAOYSA-N -1 3 389.395 3.707 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]c3c4c(ccc3Cl)OCC4)cc21 ZINC000800932071 920619387 /nfs/dbraw/zinc/61/93/87/920619387.db2.gz ARAMFPYTOLSIRH-UHFFFAOYSA-N -1 3 398.267 3.858 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000901148352 920870036 /nfs/dbraw/zinc/87/00/36/920870036.db2.gz AWZBQRLSQNPPFS-SNVBAGLBSA-N -1 3 386.395 3.896 20 0 GHADHM O=c1[n-]c(S[C@@H]([C@H]2CCOC2)C(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000901361020 921035477 /nfs/dbraw/zinc/03/54/77/921035477.db2.gz MMCJDGSORYDIOJ-GWCFXTLKSA-N -1 3 396.394 3.581 20 0 GHADHM CN(Cc1cccc(C(=O)[O-])n1)CC1(c2ccc(Br)cc2)CC1 ZINC000901436174 921103880 /nfs/dbraw/zinc/10/38/80/921103880.db2.gz NSHHYMRJVCMNEY-UHFFFAOYSA-N -1 3 375.266 3.706 20 0 GHADHM CC(C)(C)[S@@](=O)CCNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000902255608 922035363 /nfs/dbraw/zinc/03/53/63/922035363.db2.gz NVJVVZAHHHNKML-MHZLTWQESA-N -1 3 389.517 3.601 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H]4C[C@@]4(c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000902855793 922559316 /nfs/dbraw/zinc/55/93/16/922559316.db2.gz INSPQSKGSXDRGQ-JPYJTQIMSA-N -1 3 386.455 3.963 20 0 GHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2sc(-c3cccs3)nc2C)s1 ZINC000368734964 922835041 /nfs/dbraw/zinc/83/50/41/922835041.db2.gz YGANVOAUARUHTR-UHFFFAOYSA-N -1 3 388.503 3.982 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000803339768 922900211 /nfs/dbraw/zinc/90/02/11/922900211.db2.gz AXTMFYVUMSMFFJ-HNNXBMFYSA-N -1 3 398.469 3.906 20 0 GHADHM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000803653919 923126704 /nfs/dbraw/zinc/12/67/04/923126704.db2.gz VIGWYNOMXHVAJN-GUYCJALGSA-N -1 3 383.469 3.757 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903627377 923136255 /nfs/dbraw/zinc/13/62/55/923136255.db2.gz OEMMZBVPSIEQHX-MRXNPFEDSA-N -1 3 384.329 3.906 20 0 GHADHM COc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cscc1C(F)F ZINC000903637396 923146293 /nfs/dbraw/zinc/14/62/93/923146293.db2.gz VEXCNWJWUKERLV-UHFFFAOYSA-N -1 3 376.450 3.557 20 0 GHADHM Cc1csc(C[C@@H]2CCN(Cc3cc(Br)ccc3C(=O)[O-])C2)n1 ZINC000903935224 923409334 /nfs/dbraw/zinc/40/93/34/923409334.db2.gz HOURTMNRDZTAEB-LBPRGKRZSA-N -1 3 395.322 3.977 20 0 GHADHM O=C([O-])[C@H](CNCc1cn(C2CC2)cn1)Cc1ccc(-c2ccccc2)cc1 ZINC000903990958 923453389 /nfs/dbraw/zinc/45/33/89/923453389.db2.gz GUZYIGBXRRPQOH-FQEVSTJZSA-N -1 3 375.472 3.918 20 0 GHADHM Cc1nn(-c2ccccn2)c(Cl)c1CNCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000903993055 923454658 /nfs/dbraw/zinc/45/46/58/923454658.db2.gz MHENMOWGYGJUFI-QGZVFWFLSA-N -1 3 398.894 3.652 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])N[C@H](c1ccccc1)C1CC1 ZINC000748473702 923660029 /nfs/dbraw/zinc/66/00/29/923660029.db2.gz BWMKIKNNLFELSC-QGZVFWFLSA-N -1 3 377.799 3.609 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](n4ncc5ccccc54)C3)nc2)n1 ZINC000371580309 924691669 /nfs/dbraw/zinc/69/16/69/924691669.db2.gz NKKRUCDLOOZHBT-GOSISDBHSA-N -1 3 386.459 3.608 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H](C(=O)NC(CC)CC)Oc3ccccc32)c1[O-] ZINC000678308686 924717534 /nfs/dbraw/zinc/71/75/34/924717534.db2.gz LEJKBEZOTBHBCJ-FQEVSTJZSA-N -1 3 396.487 3.667 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1(C(=O)NC2CC2)CC1 ZINC000678320709 924723047 /nfs/dbraw/zinc/72/30/47/924723047.db2.gz YHESRWUUTQSPLR-UHFFFAOYSA-N -1 3 393.468 3.666 20 0 GHADHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000678357569 924740846 /nfs/dbraw/zinc/74/08/46/924740846.db2.gz MYVPUZFQMZDNMX-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000409622250 924818217 /nfs/dbraw/zinc/81/82/17/924818217.db2.gz CKSNTPTWAOTPLB-LBPRGKRZSA-N -1 3 384.461 3.552 20 0 GHADHM CCCc1ccc(CCCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC001137344411 924888113 /nfs/dbraw/zinc/88/81/13/924888113.db2.gz KSYBKUYYPCBVSS-UHFFFAOYSA-N -1 3 394.515 3.652 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)s1 ZINC000409921566 925140191 /nfs/dbraw/zinc/14/01/91/925140191.db2.gz IHUSDSWJPJRTNN-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000372235474 925265460 /nfs/dbraw/zinc/26/54/60/925265460.db2.gz APZIAOAYSXQDIX-CYBMUJFWSA-N -1 3 387.386 3.901 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCS3)no2)ccc1F ZINC000680762767 925597770 /nfs/dbraw/zinc/59/77/70/925597770.db2.gz AFTKZIUDOMBDLC-LBPRGKRZSA-N -1 3 385.486 3.521 20 0 GHADHM CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1ccc([O-])c(F)c1 ZINC001137439667 925792578 /nfs/dbraw/zinc/79/25/78/925792578.db2.gz CEIQXMLSTZJXMF-UHFFFAOYSA-N -1 3 396.447 3.954 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nc(C)n(C)c4c3)c2)n1 ZINC000373387836 926074699 /nfs/dbraw/zinc/07/46/99/926074699.db2.gz MEDXJSUMPKHXJX-UHFFFAOYSA-N -1 3 387.443 3.859 20 0 GHADHM COc1nnc([N-]C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)s1 ZINC000682679279 926206436 /nfs/dbraw/zinc/20/64/36/926206436.db2.gz XQYWUWONPLAEGP-UHFFFAOYSA-N -1 3 396.881 3.796 20 0 GHADHM O=C(NC1CCC2(CC1)OCCO2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725886691 926479071 /nfs/dbraw/zinc/47/90/71/926479071.db2.gz KBPTXLRJRYSZBF-UHFFFAOYSA-N -1 3 381.472 3.593 20 0 GHADHM CCC(CC)(C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000726838464 926883576 /nfs/dbraw/zinc/88/35/76/926883576.db2.gz MNWMTTRWHRZNNF-UHFFFAOYSA-N -1 3 393.892 3.959 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1)O[C@@H](C)C2 ZINC000412057713 927060598 /nfs/dbraw/zinc/06/05/98/927060598.db2.gz RWJKKCBGHBKEKV-KHDYIWLOSA-N -1 3 395.455 3.603 20 0 GHADHM O=c1nc(CN2CC[C@H](C3CCOCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000374380286 927076623 /nfs/dbraw/zinc/07/66/23/927076623.db2.gz KGSDNDZKJQXTJK-AWEZNQCLSA-N -1 3 385.489 3.905 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000412209905 927211047 /nfs/dbraw/zinc/21/10/47/927211047.db2.gz GLGLMXJOJHYDGB-IEBWSBKVSA-N -1 3 390.842 3.563 20 0 GHADHM Cc1c([O-])ccc2c(CSc3ccc(S(C)(=O)=O)cc3)cc(=O)oc12 ZINC000749751598 927260080 /nfs/dbraw/zinc/26/00/80/927260080.db2.gz GXEPDLFIJFOUKI-UHFFFAOYSA-N -1 3 376.455 3.503 20 0 GHADHM O=c1nc(CN2CCC([C@@H]3CCOC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000374598358 927324974 /nfs/dbraw/zinc/32/49/74/927324974.db2.gz WXOGRXJARLSOCI-CQSZACIVSA-N -1 3 385.489 3.905 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000750116894 927440468 /nfs/dbraw/zinc/44/04/68/927440468.db2.gz SHJDKHMGOTWFEO-UHFFFAOYSA-N -1 3 380.495 3.537 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)no1 ZINC000374801694 927538160 /nfs/dbraw/zinc/53/81/60/927538160.db2.gz SRMWHSCIEQLDFE-KRWDZBQOSA-N -1 3 380.448 3.792 20 0 GHADHM Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000375021385 927819534 /nfs/dbraw/zinc/81/95/34/927819534.db2.gz FGTLGDDOSUFFBF-UHFFFAOYSA-N -1 3 390.487 3.685 20 0 GHADHM COC(=O)c1ccc(C(F)(F)F)nc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413008988 928097341 /nfs/dbraw/zinc/09/73/41/928097341.db2.gz ZUGKJRZYHUQCPG-UHFFFAOYSA-N -1 3 385.367 3.552 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccs1)c1ccc(Cl)cc1C(F)(F)F ZINC000751438504 928193913 /nfs/dbraw/zinc/19/39/13/928193913.db2.gz WPNXZSCWWOZQED-NSHDSACASA-N -1 3 399.843 3.822 20 0 GHADHM COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732211 928354560 /nfs/dbraw/zinc/35/45/60/928354560.db2.gz NOFBSUQJNXAGFZ-NSHDSACASA-N -1 3 395.814 3.570 20 0 GHADHM CS[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC000544102943 928809708 /nfs/dbraw/zinc/80/97/08/928809708.db2.gz ONLILJQQDMMGJA-JTQLQIEISA-N -1 3 386.402 3.875 20 0 GHADHM CC(C)c1cccnc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000752497970 928850649 /nfs/dbraw/zinc/85/06/49/928850649.db2.gz SSLSTCRIJMIYSK-UHFFFAOYSA-N -1 3 393.484 3.673 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000544288674 929021765 /nfs/dbraw/zinc/02/17/65/929021765.db2.gz JDSUKJFFDXBCFV-QGZVFWFLSA-N -1 3 382.489 3.644 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000544288673 929021952 /nfs/dbraw/zinc/02/19/52/929021952.db2.gz JDSUKJFFDXBCFV-KRWDZBQOSA-N -1 3 382.489 3.644 20 0 GHADHM CCC1(CNC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])CC1 ZINC000752816833 929036330 /nfs/dbraw/zinc/03/63/30/929036330.db2.gz YSCAXPVDMUMOLC-UHFFFAOYSA-N -1 3 398.459 3.582 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000467429164 929062369 /nfs/dbraw/zinc/06/23/69/929062369.db2.gz KSUAMDIIYFLYHQ-UHFFFAOYSA-N -1 3 399.472 3.808 20 0 GHADHM O=C(Cc1coc(-c2ccccc2)n1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467717966 929334068 /nfs/dbraw/zinc/33/40/68/929334068.db2.gz JMNWJZZVFPTVDB-UHFFFAOYSA-N -1 3 380.354 3.613 20 0 GHADHM CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000467786547 929413310 /nfs/dbraw/zinc/41/33/10/929413310.db2.gz XZUDKTXWCXTHHD-KSFYIVLOSA-N -1 3 391.483 3.824 20 0 GHADHM COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc(OC)c1[O-] ZINC000545877323 929634377 /nfs/dbraw/zinc/63/43/77/929634377.db2.gz JENGYDSSEKRRDH-UHFFFAOYSA-N -1 3 384.457 3.771 20 0 GHADHM CON(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000757631094 929750988 /nfs/dbraw/zinc/75/09/88/929750988.db2.gz YCWUJSGNBRFMFO-FQEVSTJZSA-N -1 3 382.460 3.586 20 0 GHADHM CCc1nnc([C@@H](C)OC(=O)c2n[n-]c(-c3ccccc3)c2Br)o1 ZINC000757724863 929783716 /nfs/dbraw/zinc/78/37/16/929783716.db2.gz FTKUYRMFBNMRTQ-SECBINFHSA-N -1 3 391.225 3.703 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)cc(F)c3N)nc(=O)c2c1C ZINC000757731716 929785878 /nfs/dbraw/zinc/78/58/78/929785878.db2.gz JTAFEDKWWOVVQW-SSDOTTSWSA-N -1 3 379.388 3.792 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1OC(C)C ZINC000546180778 929933687 /nfs/dbraw/zinc/93/36/87/929933687.db2.gz MOLLMAZWGBQKMT-UHFFFAOYSA-N -1 3 391.489 3.997 20 0 GHADHM COc1nc(C)cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000546189937 929942654 /nfs/dbraw/zinc/94/26/54/929942654.db2.gz QEBHCEIQFHZWGO-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM Cc1csc(NC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)n1 ZINC000469634752 930046978 /nfs/dbraw/zinc/04/69/78/930046978.db2.gz STYCWRYEWFDKTG-UHFFFAOYSA-N -1 3 377.485 3.722 20 0 GHADHM O=C(N[C@H]1C=CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469704288 930097820 /nfs/dbraw/zinc/09/78/20/930097820.db2.gz PPYZESKYHYSVGE-JTQLQIEISA-N -1 3 381.657 3.783 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cc1 ZINC000759487696 930383400 /nfs/dbraw/zinc/38/34/00/930383400.db2.gz SZUNGZPSQXWTSS-UHFFFAOYSA-N -1 3 398.532 3.969 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000759707359 930460285 /nfs/dbraw/zinc/46/02/85/930460285.db2.gz QIODMTGDDWVELX-VXGBXAGGSA-N -1 3 399.285 3.787 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780361428 930499511 /nfs/dbraw/zinc/49/95/11/930499511.db2.gz JJZGKKHQXRJWAH-HRAATJIYSA-N -1 3 392.455 3.594 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000780445559 930521831 /nfs/dbraw/zinc/52/18/31/930521831.db2.gz NJIOJGQCZFKNRW-HNNXBMFYSA-N -1 3 389.320 3.835 20 0 GHADHM Cc1cccc(-c2noc(-c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)n2)c1 ZINC000546935403 930543011 /nfs/dbraw/zinc/54/30/11/930543011.db2.gz SXTGDVFYCPCQAJ-UHFFFAOYSA-N -1 3 398.419 3.980 20 0 GHADHM COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000470554771 930709248 /nfs/dbraw/zinc/70/92/48/930709248.db2.gz CTOBBUWTYLBZDS-SFHVURJKSA-N -1 3 390.443 3.975 20 0 GHADHM Cc1cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccc1N1CC[C@@H](C)C1 ZINC000547196059 930787671 /nfs/dbraw/zinc/78/76/71/930787671.db2.gz TUUSBUWXRZWANZ-GFCCVEGCSA-N -1 3 379.464 3.594 20 0 GHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000470756072 930884741 /nfs/dbraw/zinc/88/47/41/930884741.db2.gz MXCFMTXLUWFTDV-UHFFFAOYSA-N -1 3 379.881 3.658 20 0 GHADHM CC(C)Oc1cccc([C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000781671648 930933623 /nfs/dbraw/zinc/93/36/23/930933623.db2.gz XMYPKFDQYZLSPH-AWEZNQCLSA-N -1 3 377.462 3.763 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC4(CCC4)C3)nc(=O)c2c1C ZINC000470871043 930984590 /nfs/dbraw/zinc/98/45/90/930984590.db2.gz AMVJIRUVQSKUMY-ZDUSSCGKSA-N -1 3 389.521 3.797 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2noc(C3CCCCC3)n2)nc(-c2ccccc2)[n-]1 ZINC000557119803 931219502 /nfs/dbraw/zinc/21/95/02/931219502.db2.gz UNLXNZBHDHBDHN-MUUNZHRXSA-N -1 3 398.488 3.729 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000782565730 931271906 /nfs/dbraw/zinc/27/19/06/931271906.db2.gz MBFPXOWSDCRAGF-UHFFFAOYSA-N -1 3 399.466 3.670 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ccc1N1CCOCC1 ZINC000782916037 931365693 /nfs/dbraw/zinc/36/56/93/931365693.db2.gz LGGFXYYZGDDNTP-UHFFFAOYSA-N -1 3 388.533 3.930 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccnc1C(F)(F)F ZINC000557847826 931719899 /nfs/dbraw/zinc/71/98/99/931719899.db2.gz WTHVVRBNUZFHFK-LSDHHAIUSA-N -1 3 384.423 3.790 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CCC1(C)C ZINC000557979098 931784708 /nfs/dbraw/zinc/78/47/08/931784708.db2.gz HPSRMXYUYMLZBJ-SFHVURJKSA-N -1 3 390.480 3.853 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc(OCC(F)(F)F)c1 ZINC000784259671 931838338 /nfs/dbraw/zinc/83/83/38/931838338.db2.gz LHIKWPONYMZHNA-UHFFFAOYSA-N -1 3 394.305 3.740 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(OC2CCCC2)nc1 ZINC000784629725 931963250 /nfs/dbraw/zinc/96/32/50/931963250.db2.gz XWMHDWGTTVKSNP-UHFFFAOYSA-N -1 3 381.388 3.516 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000558468127 932019719 /nfs/dbraw/zinc/01/97/19/932019719.db2.gz FKUNKYMKXHPTFV-LJQANCHMSA-N -1 3 390.418 3.837 20 0 GHADHM C[C@](CO)(NCc1cc(=O)oc2cc([O-])ccc12)c1cccc(C(F)(F)F)c1 ZINC000777588709 932065644 /nfs/dbraw/zinc/06/56/44/932065644.db2.gz OSAADCSTCGQMLB-LJQANCHMSA-N -1 3 393.361 3.515 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCC[C@H]1C(F)F ZINC000558639377 932133347 /nfs/dbraw/zinc/13/33/47/932133347.db2.gz OBBANMFZJCIHEC-ZDUSSCGKSA-N -1 3 385.208 3.550 20 0 GHADHM CN(C(=O)COC(=O)c1ccc([O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000797546105 932323783 /nfs/dbraw/zinc/32/37/83/932323783.db2.gz QYOFUYZDNZMZNU-UHFFFAOYSA-N -1 3 375.424 3.797 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c(C)c1 ZINC000777613146 932380055 /nfs/dbraw/zinc/38/00/55/932380055.db2.gz PANNKZYBRZHMDQ-UHFFFAOYSA-N -1 3 378.450 3.763 20 0 GHADHM O=C(NC[C@@]12C[C@@H]1CCCC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000927443482 932563224 /nfs/dbraw/zinc/56/32/24/932563224.db2.gz CMSHUNBYHYNKLI-BBATYDOGSA-N -1 3 375.266 3.601 20 0 GHADHM CC(C)c1ccc(NC(=S)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000798373826 932619331 /nfs/dbraw/zinc/61/93/31/932619331.db2.gz QYWBXCCQYZUVDN-UHFFFAOYSA-N -1 3 387.471 3.897 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1C ZINC000559425670 932666840 /nfs/dbraw/zinc/66/68/40/932666840.db2.gz OBLUEGZDEDOHEE-UHFFFAOYSA-N -1 3 391.493 3.563 20 0 GHADHM C[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc2ccccc2c1 ZINC000799024350 932854051 /nfs/dbraw/zinc/85/40/51/932854051.db2.gz RUSJQGTUSQDTKP-CQSZACIVSA-N -1 3 392.421 3.860 20 0 GHADHM CCCCC1CCC(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000799023671 932854492 /nfs/dbraw/zinc/85/44/92/932854492.db2.gz FKOWHLOOWGBURH-UHFFFAOYSA-N -1 3 376.463 3.900 20 0 GHADHM COc1ccc(CCC(=O)[N-]OCc2ccccc2OC)cc1Br ZINC000799091899 932875240 /nfs/dbraw/zinc/87/52/40/932875240.db2.gz VEIWGZJNJQDOEO-UHFFFAOYSA-N -1 3 394.265 3.647 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)cc1Cl ZINC000559995264 933004325 /nfs/dbraw/zinc/00/43/25/933004325.db2.gz AQTHYHJLDXRJTR-UHFFFAOYSA-N -1 3 391.880 3.952 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000560061543 933043985 /nfs/dbraw/zinc/04/39/85/933043985.db2.gz DTDJKVMEDZXWBY-UHFFFAOYSA-N -1 3 390.408 3.928 20 0 GHADHM CCCCC1CCC(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001116244123 933432222 /nfs/dbraw/zinc/43/22/22/933432222.db2.gz BMGGZCJEDNGKDO-UHFFFAOYSA-N -1 3 399.532 3.745 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001116578050 933644649 /nfs/dbraw/zinc/64/46/49/933644649.db2.gz NYWSEPOEMOZRCS-HUUCEWRRSA-N -1 3 383.448 3.593 20 0 GHADHM CC(C)c1nsc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000929884446 933689529 /nfs/dbraw/zinc/68/95/29/933689529.db2.gz SCHZEZGQVCVJAH-UHFFFAOYSA-N -1 3 394.928 3.871 20 0 GHADHM C[C@@H]1C(=O)N(Cc2ccc([O-])c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000561012034 933781089 /nfs/dbraw/zinc/78/10/89/933781089.db2.gz XKBWQZHFFPRDJL-GFCCVEGCSA-N -1 3 389.249 3.508 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2coc(-c3cccc(Cl)c3)n2)nc(C2CC2)[n-]1 ZINC000561132603 933899252 /nfs/dbraw/zinc/89/92/52/933899252.db2.gz QTCFGRXDPLWPFQ-AREMUKBSSA-N -1 3 389.864 3.817 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(C)(C)C2CCCCC2)cc1OC ZINC001117364527 933931211 /nfs/dbraw/zinc/93/12/11/933931211.db2.gz XRUHPPKYYYMRRR-UHFFFAOYSA-N -1 3 397.541 3.937 20 0 GHADHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000930670909 934172542 /nfs/dbraw/zinc/17/25/42/934172542.db2.gz OONIDVCXOMKKJT-LHSJRXKWSA-N -1 3 398.409 3.704 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000561668881 934353150 /nfs/dbraw/zinc/35/31/50/934353150.db2.gz USKOSTPRACNNQX-UONOGXRCSA-N -1 3 394.443 3.555 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccn1 ZINC001119599960 934372063 /nfs/dbraw/zinc/37/20/63/934372063.db2.gz PVDUYMBDUHQYJG-CQSZACIVSA-N -1 3 387.274 3.659 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001119602531 934372546 /nfs/dbraw/zinc/37/25/46/934372546.db2.gz PWZUHXKJVBXXTR-SJORKVTESA-N -1 3 394.393 3.842 20 0 GHADHM COc1ccccc1Oc1ccc(CNC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000562296280 934810492 /nfs/dbraw/zinc/81/04/92/934810492.db2.gz BBZZADIABZBIOS-UHFFFAOYSA-N -1 3 388.427 3.879 20 0 GHADHM CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1)C1CCCC1 ZINC001122907586 935025203 /nfs/dbraw/zinc/02/52/03/935025203.db2.gz KIURWZMGPBFZDS-UHFFFAOYSA-N -1 3 384.509 3.628 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)[N-]OCCC(F)(F)F)cc21 ZINC000829057837 935760096 /nfs/dbraw/zinc/76/00/96/935760096.db2.gz BJLZHUJUCSIJIQ-UHFFFAOYSA-N -1 3 388.386 3.527 20 0 GHADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cc2c(cc1[O-])OCO2 ZINC001137752390 935770739 /nfs/dbraw/zinc/77/07/39/935770739.db2.gz SMOSHMVSMNKQIU-UHFFFAOYSA-N -1 3 391.305 3.578 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3cnn4ccccc34)nc(=O)c2c1C ZINC000829548577 935825876 /nfs/dbraw/zinc/82/58/76/935825876.db2.gz JYJFMNGYTHCLCX-LLVKDONJSA-N -1 3 382.445 3.508 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137866022 935833525 /nfs/dbraw/zinc/83/35/25/935833525.db2.gz VOGRCDAYTNLYNV-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137866022 935833528 /nfs/dbraw/zinc/83/35/28/935833528.db2.gz VOGRCDAYTNLYNV-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM COc1ccc(OC)c2sc([N-]C(=O)c3c(C)noc3C(F)(F)F)nc21 ZINC000829830154 935869911 /nfs/dbraw/zinc/86/99/11/935869911.db2.gz WUMXCJPKKZLDKE-UHFFFAOYSA-N -1 3 387.339 3.881 20 0 GHADHM CCCN(CCNC(=O)c1cc2sccc2c([O-])c1)C(=O)OC(C)(C)C ZINC001137929951 935875788 /nfs/dbraw/zinc/87/57/88/935875788.db2.gz WMADYTFEEQZANJ-UHFFFAOYSA-N -1 3 378.494 3.984 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2scc(Br)c2C)c([O-])c1 ZINC001137939858 935881958 /nfs/dbraw/zinc/88/19/58/935881958.db2.gz UTYXFIIXRAJXFA-UHFFFAOYSA-N -1 3 384.251 3.954 20 0 GHADHM COc1ccccc1[C@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000830133060 935903871 /nfs/dbraw/zinc/90/38/71/935903871.db2.gz HMQPFKDNMNHFFK-INIZCTEOSA-N -1 3 382.460 3.769 20 0 GHADHM C[C@H](C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1)c1ccc(F)cc1F ZINC001573606894 947534930 /nfs/dbraw/zinc/53/49/30/947534930.db2.gz ACNOWEFHNAKETK-LBPRGKRZSA-N -1 3 383.402 3.834 20 0 GHADHM C[C@H](C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1)c1ccc(F)cc1F ZINC001573606894 947534944 /nfs/dbraw/zinc/53/49/44/947534944.db2.gz ACNOWEFHNAKETK-LBPRGKRZSA-N -1 3 383.402 3.834 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CCCc1ccccc1)c1ccccc1 ZINC001141806760 948481867 /nfs/dbraw/zinc/48/18/67/948481867.db2.gz QQRDAQCNOKMJLF-UHFFFAOYSA-N -1 3 384.443 3.541 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CCCc1ccccc1)c1ccccc1 ZINC001141806760 948481876 /nfs/dbraw/zinc/48/18/76/948481876.db2.gz QQRDAQCNOKMJLF-UHFFFAOYSA-N -1 3 384.443 3.541 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001525064640 948539085 /nfs/dbraw/zinc/53/90/85/948539085.db2.gz ZCHHSMYUCFDBGL-IBGZPJMESA-N -1 3 395.438 3.892 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001525064640 948539092 /nfs/dbraw/zinc/53/90/92/948539092.db2.gz ZCHHSMYUCFDBGL-IBGZPJMESA-N -1 3 395.438 3.892 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(F)cc(Cl)c1 ZINC001574082096 948847411 /nfs/dbraw/zinc/84/74/11/948847411.db2.gz AFCXSFKMMSDOAQ-MRXNPFEDSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(F)cc(Cl)c1 ZINC001574082096 948847424 /nfs/dbraw/zinc/84/74/24/948847424.db2.gz AFCXSFKMMSDOAQ-MRXNPFEDSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)c(Cl)n3)cc2s1 ZINC001574428003 948920828 /nfs/dbraw/zinc/92/08/28/948920828.db2.gz XIMAYJYMSRAEEM-UHFFFAOYSA-N -1 3 399.867 3.901 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001575501750 949010615 /nfs/dbraw/zinc/01/06/15/949010615.db2.gz FGPCSQOFBLHFAM-MRVPVSSYSA-N -1 3 395.319 3.937 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001575501750 949010632 /nfs/dbraw/zinc/01/06/32/949010632.db2.gz FGPCSQOFBLHFAM-MRVPVSSYSA-N -1 3 395.319 3.937 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cscc1Br ZINC001575509029 949112282 /nfs/dbraw/zinc/11/22/82/949112282.db2.gz BOZNFJUTAOQKDS-VIFPVBQESA-N -1 3 392.282 3.524 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cscc1Br ZINC001575509029 949112296 /nfs/dbraw/zinc/11/22/96/949112296.db2.gz BOZNFJUTAOQKDS-VIFPVBQESA-N -1 3 392.282 3.524 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575516201 949205859 /nfs/dbraw/zinc/20/58/59/949205859.db2.gz NMHKIGVDTMLYHS-UGSOOPFHSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575516201 949205874 /nfs/dbraw/zinc/20/58/74/949205874.db2.gz NMHKIGVDTMLYHS-UGSOOPFHSA-N -1 3 380.427 3.806 20 0 GHADHM O=C([O-])c1ccc(CN[C@H](CCO)c2cccc(OC(F)(F)F)c2)s1 ZINC001595230574 949343203 /nfs/dbraw/zinc/34/32/03/949343203.db2.gz KNFXBPJDYJRNBM-CYBMUJFWSA-N -1 3 375.368 3.558 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001576158584 949501217 /nfs/dbraw/zinc/50/12/17/949501217.db2.gz UIVNJNCGKXLUBO-SWLSCSKDSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001576158584 949501230 /nfs/dbraw/zinc/50/12/30/949501230.db2.gz UIVNJNCGKXLUBO-SWLSCSKDSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576167114 949599971 /nfs/dbraw/zinc/59/99/71/949599971.db2.gz OUUAKXHCJWEOKD-YOEHRIQHSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576167114 949599981 /nfs/dbraw/zinc/59/99/81/949599981.db2.gz OUUAKXHCJWEOKD-YOEHRIQHSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575283082 949853031 /nfs/dbraw/zinc/85/30/31/949853031.db2.gz NHKQQBYNYVNWBR-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575283082 949853057 /nfs/dbraw/zinc/85/30/57/949853057.db2.gz NHKQQBYNYVNWBR-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM CC(C)(C)[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)CCO1 ZINC001573826296 949907367 /nfs/dbraw/zinc/90/73/67/949907367.db2.gz GIRQFQGYACMVMJ-AWEZNQCLSA-N -1 3 387.381 3.666 20 0 GHADHM CC(C)(C)[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)CCO1 ZINC001573826296 949907379 /nfs/dbraw/zinc/90/73/79/949907379.db2.gz GIRQFQGYACMVMJ-AWEZNQCLSA-N -1 3 387.381 3.666 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001573828238 949931545 /nfs/dbraw/zinc/93/15/45/949931545.db2.gz PNSDIJNTLMCCSL-QZTJIDSGSA-N -1 3 382.512 3.887 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001573828238 949931569 /nfs/dbraw/zinc/93/15/69/949931569.db2.gz PNSDIJNTLMCCSL-QZTJIDSGSA-N -1 3 382.512 3.887 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573861032 950435176 /nfs/dbraw/zinc/43/51/76/950435176.db2.gz PSPGNTMHKHZLTR-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573861032 950435187 /nfs/dbraw/zinc/43/51/87/950435187.db2.gz PSPGNTMHKHZLTR-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC(C)C)C1 ZINC001574167984 950499031 /nfs/dbraw/zinc/49/90/31/950499031.db2.gz MKYDMNMTKLXRRG-INIZCTEOSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC(C)C)C1 ZINC001574167984 950499040 /nfs/dbraw/zinc/49/90/40/950499040.db2.gz MKYDMNMTKLXRRG-INIZCTEOSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)CC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC001574168591 950524373 /nfs/dbraw/zinc/52/43/73/950524373.db2.gz ZPKSEVOUWUNMNO-UHFFFAOYSA-N -1 3 390.919 3.926 20 0 GHADHM CC(C)CC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC001574168591 950524388 /nfs/dbraw/zinc/52/43/88/950524388.db2.gz ZPKSEVOUWUNMNO-UHFFFAOYSA-N -1 3 390.919 3.926 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574520406 950729200 /nfs/dbraw/zinc/72/92/00/950729200.db2.gz REIINITZCYOOIK-IRXDYDNUSA-N -1 3 391.519 3.918 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574520406 950729215 /nfs/dbraw/zinc/72/92/15/950729215.db2.gz REIINITZCYOOIK-IRXDYDNUSA-N -1 3 391.519 3.918 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)c(-c3nnn[n-]3)cc2C1 ZINC001576216395 950730853 /nfs/dbraw/zinc/73/08/53/950730853.db2.gz IWKAEYDPOYPHBP-GZOOOWMASA-N -1 3 388.475 3.519 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)c(-c3nn[n-]n3)cc2C1 ZINC001576216395 950730862 /nfs/dbraw/zinc/73/08/62/950730862.db2.gz IWKAEYDPOYPHBP-GZOOOWMASA-N -1 3 388.475 3.519 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576221001 950843261 /nfs/dbraw/zinc/84/32/61/950843261.db2.gz YTERVQXYEFXQCX-DPIUTZRQSA-N -1 3 398.467 3.800 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576221001 950843277 /nfs/dbraw/zinc/84/32/77/950843277.db2.gz YTERVQXYEFXQCX-DPIUTZRQSA-N -1 3 398.467 3.800 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001575186045 952436995 /nfs/dbraw/zinc/43/69/95/952436995.db2.gz YCGDNZCKADCKKG-CABCVRRESA-N -1 3 397.910 3.788 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001575186045 952436997 /nfs/dbraw/zinc/43/69/97/952436997.db2.gz YCGDNZCKADCKKG-CABCVRRESA-N -1 3 397.910 3.788 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC001575188022 952445203 /nfs/dbraw/zinc/44/52/03/952445203.db2.gz GURFQEYXPCWNCE-GFCCVEGCSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC001575188022 952445207 /nfs/dbraw/zinc/44/52/07/952445207.db2.gz GURFQEYXPCWNCE-GFCCVEGCSA-N -1 3 399.857 3.817 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CC12CCC2 ZINC001154356909 1032063306 /nfs/dbraw/zinc/06/33/06/1032063306.db2.gz YHGLQGVTLMDCOU-GOSISDBHSA-N -1 3 388.464 3.607 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC4(CCSCC4)CC3)o2)C1 ZINC001594914500 954729635 /nfs/dbraw/zinc/72/96/35/954729635.db2.gz GZUDYOCITRPJPL-MRXNPFEDSA-N -1 3 378.538 3.690 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC(c4ccc(O)cc4)CC3)o2)C1 ZINC001594918963 954789003 /nfs/dbraw/zinc/78/90/03/954789003.db2.gz XPRDGMDUKAKARR-GOSISDBHSA-N -1 3 384.476 3.666 20 0 GHADHM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1F ZINC001345728663 962276659 /nfs/dbraw/zinc/27/66/59/962276659.db2.gz BLPAWFYBDBDRKH-UZUQRXQVSA-N -1 3 398.478 3.555 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@H](C)C(=O)[O-] ZINC000841803679 969224804 /nfs/dbraw/zinc/22/48/04/969224804.db2.gz XGOFHDGJOZZJMF-VIFPVBQESA-N -1 3 375.778 3.663 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H]3CCC4(CCCCC4)O3)o2)C1 ZINC001605997230 973064062 /nfs/dbraw/zinc/06/40/62/973064062.db2.gz ACGFMSVYKXLZHH-WMZOPIPTSA-N -1 3 376.497 3.552 20 0 GHADHM COc1ccc(CN(Cc2oncc2C(=O)[O-])[C@@H]2CCCC[C@H]2C)cc1OC ZINC000568064632 974658046 /nfs/dbraw/zinc/65/80/46/974658046.db2.gz KSOCMDFUIRECHD-RHSMWYFYSA-N -1 3 388.464 3.971 20 0 GHADHM CC(C)c1cccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001591987406 976612401 /nfs/dbraw/zinc/61/24/01/976612401.db2.gz PLTKZGUABCYGQF-SFHVURJKSA-N -1 3 376.497 3.706 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc21 ZINC000182280426 1014568365 /nfs/dbraw/zinc/56/83/65/1014568365.db2.gz RUCYELQKVMHEBZ-SFHVURJKSA-N -1 3 392.459 3.566 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)(NCc1ncc(Br)s1)C(=O)[O-] ZINC001592838947 979593123 /nfs/dbraw/zinc/59/31/23/979593123.db2.gz JAGFNBMJUSQZJX-AWEZNQCLSA-N -1 3 389.702 3.735 20 0 GHADHM CC[C@@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1OCC(=O)N(C)C ZINC001595279300 980317986 /nfs/dbraw/zinc/31/79/86/980317986.db2.gz OMOUVOAZLOCNOA-CZUORRHYSA-N -1 3 390.505 3.715 20 0 GHADHM CC[C@](NC[C@H]1CN(c2ccccc2)C(=O)O1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595294449 980409251 /nfs/dbraw/zinc/40/92/51/980409251.db2.gz ZSQDLGNPGCRXJD-FXAWDEMLSA-N -1 3 388.851 3.645 20 0 GHADHM CCCCCC[C@](O)(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595699498 982259092 /nfs/dbraw/zinc/25/90/92/982259092.db2.gz YQGDOEFPRKEINL-OBJOEFQTSA-N -1 3 393.368 3.835 20 0 GHADHM CCCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595822257 982692460 /nfs/dbraw/zinc/69/24/60/982692460.db2.gz KWLIDMMXUCFSJS-GOSISDBHSA-N -1 3 396.491 3.688 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001595836519 982742894 /nfs/dbraw/zinc/74/28/94/982742894.db2.gz DAYCWLSRJIXACM-GOSISDBHSA-N -1 3 395.931 3.619 20 0 GHADHM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596151387 983512112 /nfs/dbraw/zinc/51/21/12/983512112.db2.gz WGLJZHBXBKXSAZ-SFHVURJKSA-N -1 3 397.475 3.522 20 0 GHADHM CCN(Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C(C)(C)C(=O)[O-] ZINC001596362440 983839809 /nfs/dbraw/zinc/83/98/09/983839809.db2.gz DIABUFOWMBXSCU-UHFFFAOYSA-N -1 3 375.490 3.513 20 0 GHADHM O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cc(=O)[n-]cn1 ZINC001626129116 1015022953 /nfs/dbraw/zinc/02/29/53/1015022953.db2.gz MJJRMQSTTSDOES-UHFFFAOYSA-N -1 3 381.244 3.789 20 0 GHADHM CCOC(=O)C1=CC[C@H](NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001596564735 984447749 /nfs/dbraw/zinc/44/77/49/984447749.db2.gz GNXFLXUAKVKRLI-FQEVSTJZSA-N -1 3 395.455 3.705 20 0 GHADHM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)[C@H]1C ZINC001596568831 984456926 /nfs/dbraw/zinc/45/69/26/984456926.db2.gz ONMSFFNEJDJTMH-ZUMXRPEOSA-N -1 3 397.899 3.715 20 0 GHADHM CC(=O)N(C)c1ccc(CNCc2ccc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001589046624 985124706 /nfs/dbraw/zinc/12/47/06/985124706.db2.gz SFPNOWUYXNIIBU-UHFFFAOYSA-N -1 3 380.366 3.676 20 0 GHADHM C[C@@](CNCc1c(F)ccc(C2OCCO2)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001589067035 985206664 /nfs/dbraw/zinc/20/66/64/985206664.db2.gz XHLPATIHPMOYSX-FQEVSTJZSA-N -1 3 393.842 3.657 20 0 GHADHM CCO[C@H]1C[C@@H](NCc2cc(OC)c(C(=O)[O-])cc2Br)C12CCC2 ZINC001596840664 985526367 /nfs/dbraw/zinc/52/63/67/985526367.db2.gz ZYMKXLSRLJMQLF-CVEARBPZSA-N -1 3 398.297 3.593 20 0 GHADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Br)c2ccccc2c1 ZINC001594526221 986047491 /nfs/dbraw/zinc/04/74/91/986047491.db2.gz SXYJGNPOLNKYLF-AWEZNQCLSA-N -1 3 391.309 3.583 20 0 GHADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589359731 986359876 /nfs/dbraw/zinc/35/98/76/986359876.db2.gz XLZBFLXQVSBHKM-RADWXHQJSA-N -1 3 398.528 3.528 20 0 GHADHM CCOc1cc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c(F)cc1OC ZINC001597035407 986471944 /nfs/dbraw/zinc/47/19/44/986471944.db2.gz KCWGJKTZBSTTBT-KRWDZBQOSA-N -1 3 387.407 3.765 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@H]3CCC[C@H]3C(=O)[O-])cs2)cc1OC ZINC001597049331 986520337 /nfs/dbraw/zinc/52/03/37/986520337.db2.gz LWSWILHEAUASET-CABCVRRESA-N -1 3 376.478 3.560 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC001597073906 986595655 /nfs/dbraw/zinc/59/56/55/986595655.db2.gz DPPDZDVQBGITGP-IBGZPJMESA-N -1 3 375.490 3.791 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC001597074095 986597968 /nfs/dbraw/zinc/59/79/68/986597968.db2.gz JFWUZBITIGNNON-GOSISDBHSA-N -1 3 375.490 3.791 20 0 GHADHM CCOc1ccc(CCN(C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001597094653 986680346 /nfs/dbraw/zinc/68/03/46/986680346.db2.gz JICHOQNMCDENRP-UHFFFAOYSA-N -1 3 382.254 3.814 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC001589504935 987117233 /nfs/dbraw/zinc/11/72/33/987117233.db2.gz PLWAPBVUKBOOHI-CQSZACIVSA-N -1 3 375.494 3.532 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(CCCc3ccccc3Cl)no2)cc1 ZINC000544963489 1015291076 /nfs/dbraw/zinc/29/10/76/1015291076.db2.gz AQQPIGKPCGHRRW-UHFFFAOYSA-N -1 3 391.880 3.937 20 0 GHADHM CCS[C@H]1CCC[C@@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001597258802 987272783 /nfs/dbraw/zinc/27/27/83/987272783.db2.gz VMCMEKBFBCSZMH-ZFWWWQNUSA-N -1 3 388.327 3.920 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)N(C)C)cc1 ZINC001597513484 988111512 /nfs/dbraw/zinc/11/15/12/988111512.db2.gz VOVPUYBYUGBMDF-HXUWFJFHSA-N -1 3 383.492 3.988 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)CCNCc1oc(Br)cc1C(=O)[O-] ZINC001589843207 988340654 /nfs/dbraw/zinc/34/06/54/988340654.db2.gz NLRJJEIGKFBWAY-UHFFFAOYSA-N -1 3 390.274 3.588 20 0 GHADHM CCc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545031819 1015387160 /nfs/dbraw/zinc/38/71/60/1015387160.db2.gz GEFCOBIDDXICEB-LBPRGKRZSA-N -1 3 391.880 3.992 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3c4ccccc4[nH]c3C(=O)[O-])C2)CC1 ZINC001589993997 988910233 /nfs/dbraw/zinc/91/02/33/988910233.db2.gz IOTSXEMAHOISFN-UHFFFAOYSA-N -1 3 399.491 3.699 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001590005547 988953637 /nfs/dbraw/zinc/95/36/37/988953637.db2.gz XEHMHJIYZUVGCT-HXUWFJFHSA-N -1 3 378.469 3.591 20 0 GHADHM CC(C)(NCc1ccc(/C=C/C(=O)[O-])o1)[C@@H](O)c1ccc(Br)cc1 ZINC001590871384 990777498 /nfs/dbraw/zinc/77/74/98/990777498.db2.gz QFDLIXSUVFCHNW-FVNWOWOISA-N -1 3 394.265 3.742 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC001598203095 990827338 /nfs/dbraw/zinc/82/73/38/990827338.db2.gz PPLBGIASWLBDGA-MRXNPFEDSA-N -1 3 379.819 3.602 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598202923 990827498 /nfs/dbraw/zinc/82/74/98/990827498.db2.gz NIHXAHAGDIBJBO-GOSISDBHSA-N -1 3 389.883 3.782 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001590982330 991149053 /nfs/dbraw/zinc/14/90/53/991149053.db2.gz JXUWFVRSQVKMKK-LJQANCHMSA-N -1 3 388.895 3.925 20 0 GHADHM CC(C)CN(CC(=O)[O-])Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001591304770 992255258 /nfs/dbraw/zinc/25/52/58/992255258.db2.gz IIIJHRUCNFVTEO-UHFFFAOYSA-N -1 3 382.526 3.584 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001591584360 992792779 /nfs/dbraw/zinc/79/27/79/992792779.db2.gz QIKMJRBHHJZKJA-UHFFFAOYSA-N -1 3 398.507 3.654 20 0 GHADHM CC(C)N(CCOc1cccc(C(=O)[O-])c1)Cc1cnn(Cc2ccccc2)c1 ZINC001591595504 992819425 /nfs/dbraw/zinc/81/94/25/992819425.db2.gz RRGLGRUKUPXPSA-UHFFFAOYSA-N -1 3 393.487 3.919 20 0 GHADHM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598534112 992829400 /nfs/dbraw/zinc/82/94/00/992829400.db2.gz OSLKLCFCECPDQE-RTBURBONSA-N -1 3 397.425 3.937 20 0 GHADHM CN(Cn1ncc2cc(C(=O)[O-])ccc21)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598541840 992910845 /nfs/dbraw/zinc/91/08/45/992910845.db2.gz SDAACKBBRFZABH-UYAOXDASSA-N -1 3 383.423 3.683 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@H](c1ccccc1)N(C)C ZINC001593081833 993667226 /nfs/dbraw/zinc/66/72/26/993667226.db2.gz FAVNVUVVXGLDTK-DBVUQKKJSA-N -1 3 397.519 3.829 20 0 GHADHM CCOc1ccc([N-]C(=O)c2noc(-c3cccc(OC)c3)n2)c2ncccc12 ZINC000468606872 1015838895 /nfs/dbraw/zinc/83/88/95/1015838895.db2.gz HOUNUDLELXGXAZ-UHFFFAOYSA-N -1 3 390.399 3.944 20 0 GHADHM C[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1OCC(=O)[O-] ZINC001593246729 994456751 /nfs/dbraw/zinc/45/67/51/994456751.db2.gz OHPYFPIZODOXRL-LRDDRELGSA-N -1 3 383.366 3.553 20 0 GHADHM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001593295911 994694054 /nfs/dbraw/zinc/69/40/54/994694054.db2.gz HZPJVBJLQZQFEJ-IWZJKJFSSA-N -1 3 385.460 3.792 20 0 GHADHM C[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593304312 994745160 /nfs/dbraw/zinc/74/51/60/994745160.db2.gz LDAXHSWFMYPMBF-CYBMUJFWSA-N -1 3 383.366 3.942 20 0 GHADHM Cc1cccc(C)c1[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000545507765 1015964130 /nfs/dbraw/zinc/96/41/30/1015964130.db2.gz UFYNIIRLOGHGRS-QGZVFWFLSA-N -1 3 390.487 3.567 20 0 GHADHM C[C@H](Oc1ccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1)C(=O)[O-] ZINC001593615893 995840755 /nfs/dbraw/zinc/84/07/55/995840755.db2.gz SJGXTLXUJPWQJS-IFXJQAMLSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@H](Oc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1)C(=O)[O-] ZINC001593617081 995848656 /nfs/dbraw/zinc/84/86/56/995848656.db2.gz AOOHYAOJSUXTLC-LAUBAEHRSA-N -1 3 383.488 3.922 20 0 GHADHM C[C@H](Oc1ccccc1CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001593644199 995957383 /nfs/dbraw/zinc/95/73/83/995957383.db2.gz FJPQDGUXDUEVNT-KBXCAEBGSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001593697320 996155743 /nfs/dbraw/zinc/15/57/43/996155743.db2.gz ILTMLQXIICDRDN-WTWLNQHXSA-N -1 3 377.456 3.641 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001593709953 996206660 /nfs/dbraw/zinc/20/66/60/996206660.db2.gz GMJXNLDIXYOBQE-PSMQTCRGSA-N -1 3 393.487 3.832 20 0 GHADHM CCCCNC(=O)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468773790 1016018723 /nfs/dbraw/zinc/01/87/23/1016018723.db2.gz AVWUKATVLORWNG-UHFFFAOYSA-N -1 3 386.467 3.700 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCCc2ccc(F)c(F)c2)s1 ZINC001154490628 1032139156 /nfs/dbraw/zinc/13/91/56/1032139156.db2.gz CLYYJWLZJIDRKG-UHFFFAOYSA-N -1 3 383.420 3.741 20 0 GHADHM COc1ccc([C@H](N[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C2CC2)cc1 ZINC001599527582 997588354 /nfs/dbraw/zinc/58/83/54/997588354.db2.gz JBIPQCKWYHAWCQ-YVEFUNNKSA-N -1 3 388.489 3.831 20 0 GHADHM COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001599527909 997595592 /nfs/dbraw/zinc/59/55/92/997595592.db2.gz LVGRFCLLWYCLHX-VQTJNVASSA-N -1 3 390.524 3.522 20 0 GHADHM COc1ccc([C@H](NCc2ccc(Oc3cnccn3)cc2)C(=O)[O-])cc1Cl ZINC001599530297 997637613 /nfs/dbraw/zinc/63/76/13/997637613.db2.gz AISODTQZWKUXFW-IBGZPJMESA-N -1 3 399.834 3.846 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC001599451314 998107618 /nfs/dbraw/zinc/10/76/18/998107618.db2.gz BGRWZCWXEDWADT-IBGZPJMESA-N -1 3 391.414 3.929 20 0 GHADHM COc1ccc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c(Br)c1[O-] ZINC001599559163 998156402 /nfs/dbraw/zinc/15/64/02/998156402.db2.gz XZHJUWIRWJIMTH-UHFFFAOYSA-N -1 3 388.302 3.732 20 0 GHADHM COc1ccc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])c(Br)c1[O-] ZINC001599559163 998156409 /nfs/dbraw/zinc/15/64/09/998156409.db2.gz XZHJUWIRWJIMTH-UHFFFAOYSA-N -1 3 388.302 3.732 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2ccsc2CC(=O)[O-])c2ccccc2)CC1 ZINC001594421985 999572102 /nfs/dbraw/zinc/57/21/02/999572102.db2.gz JXXQFHSJIJIEEQ-GOSISDBHSA-N -1 3 386.517 3.578 20 0 GHADHM CCOC(=O)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000469096292 1016467271 /nfs/dbraw/zinc/46/72/71/1016467271.db2.gz YJLBHUWALPKRET-GOSISDBHSA-N -1 3 385.435 3.543 20 0 GHADHM CO[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000469118352 1016511203 /nfs/dbraw/zinc/51/12/03/1016511203.db2.gz XAHNQYWFXALSBW-ZDUSSCGKSA-N -1 3 381.803 3.739 20 0 GHADHM Cn1c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2nc1C(C)(C)C ZINC000545856761 1016527852 /nfs/dbraw/zinc/52/78/52/1016527852.db2.gz UGJWAKRGAQSXKE-UHFFFAOYSA-N -1 3 375.469 3.952 20 0 GHADHM O=C(N[C@H](CO)Cc1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001154536574 1032170259 /nfs/dbraw/zinc/17/02/59/1032170259.db2.gz FSYOITNLLSAVQA-NRFANRHFSA-N -1 3 375.468 3.511 20 0 GHADHM COc1ccc2cc([O-])c(C(=O)N3CCC4(CCn5c(C)cnc54)CC3)cc2c1 ZINC001154750080 1032269958 /nfs/dbraw/zinc/26/99/58/1032269958.db2.gz TXWGEXQLLLOPIJ-UHFFFAOYSA-N -1 3 391.471 3.637 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(NCc2ccsc2)cc1 ZINC001154803595 1032290617 /nfs/dbraw/zinc/29/06/17/1032290617.db2.gz KWNRQDPRKZOVHB-UHFFFAOYSA-N -1 3 380.473 3.663 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3ccccc3n2C(=O)OC(C)(C)C)[n-]n1 ZINC001154883456 1032325604 /nfs/dbraw/zinc/32/56/04/1032325604.db2.gz PPFIAJQUYSQUPX-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3ccccc3n2C(=O)OC(C)(C)C)n[n-]1 ZINC001154883456 1032325607 /nfs/dbraw/zinc/32/56/07/1032325607.db2.gz PPFIAJQUYSQUPX-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM O=C(NCc1cccc2nsnc21)c1cc(Cc2ccccc2)ccc1[O-] ZINC001155000436 1032373325 /nfs/dbraw/zinc/37/33/25/1032373325.db2.gz CFENGQXHGMNPQE-UHFFFAOYSA-N -1 3 375.453 3.918 20 0 GHADHM CC(C)c1oncc1[N-]C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001155104750 1032416695 /nfs/dbraw/zinc/41/66/95/1032416695.db2.gz WFHCXRZSHVMNRS-UHFFFAOYSA-N -1 3 377.249 3.761 20 0 GHADHM O=C(Nc1cn2cc(C(F)(F)F)ccc2n1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155176373 1032445104 /nfs/dbraw/zinc/44/51/04/1032445104.db2.gz BAPCGTHITRCQLH-UHFFFAOYSA-N -1 3 380.717 3.530 20 0 GHADHM O=C(Nc1cn2cc(C(F)(F)F)ccc2n1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155176373 1032445107 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CWKMPDXWOKQGEU-MQYXYMALSA-N -1 3 392.499 3.806 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NOCC2CC2)cc1 ZINC000931620366 1018013140 /nfs/dbraw/zinc/01/31/40/1018013140.db2.gz LMKMVJKUHCLONY-UHFFFAOYSA-N -1 3 389.477 3.567 20 0 GHADHM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000562219173 1018076426 /nfs/dbraw/zinc/07/64/26/1018076426.db2.gz JGXWQBVRIVJGFX-DQLDELGASA-N -1 3 394.471 3.561 20 0 GHADHM O=C(NCCSc1ccc(Cl)cc1)N[N-]C(=O)c1ccccc1Cl ZINC000043861859 1018469876 /nfs/dbraw/zinc/46/98/76/1018469876.db2.gz TUQZELTZQIJXMO-UHFFFAOYSA-N -1 3 384.288 3.730 20 0 GHADHM CC[C@@H]1CN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)CCN1Cc1ccccc1 ZINC000563813483 1018963529 /nfs/dbraw/zinc/96/35/29/1018963529.db2.gz MMKOPXXYJAQVEH-QGZVFWFLSA-N -1 3 382.508 3.573 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C[C@@](C)(O)c3ccccc3)nc(=O)c2c1C ZINC000778335996 1019000174 /nfs/dbraw/zinc/00/01/74/1019000174.db2.gz IWVJXTZPYKPJCT-FKIZINRSSA-N -1 3 386.473 3.916 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001228135134 1032802162 /nfs/dbraw/zinc/80/21/62/1032802162.db2.gz WGIGCVYUSJHBHW-CYBMUJFWSA-N -1 3 375.856 3.648 20 0 GHADHM FC(F)[C@H]1C[C@@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000564283965 1019052081 /nfs/dbraw/zinc/05/20/81/1019052081.db2.gz YCIHABLBBGUSNU-IUCAKERBSA-N -1 3 382.168 3.653 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cncc(Cl)c1 ZINC000567127648 1019269960 /nfs/dbraw/zinc/26/99/60/1019269960.db2.gz ZTCSUPPFEGUIAF-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2ccc(C(F)(F)C(F)(F)F)cc2)c(=O)[n-]1 ZINC000778774527 1019645689 /nfs/dbraw/zinc/64/56/89/1019645689.db2.gz WDDJXCXVUPYGNQ-UHFFFAOYSA-N -1 3 390.308 3.739 20 0 GHADHM CCCCN(C)S(=O)(=O)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000576537298 1020026991 /nfs/dbraw/zinc/02/69/91/1020026991.db2.gz SEFFSQQSKRXNJN-UHFFFAOYSA-N -1 3 384.448 3.703 20 0 GHADHM CCOc1ccc(-c2nc(CN3C[C@@H](C)[C@](C)(C(=O)[O-])C3)cs2)cc1OC ZINC000576591210 1020040225 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20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001156284675 1032958565 /nfs/dbraw/zinc/95/85/65/1032958565.db2.gz LIGGNGBZABJTDB-CQSZACIVSA-N -1 3 383.883 3.600 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(-c3nc(C)cc(=O)[n-]3)cc1)CCC2 ZINC000653590978 1021249356 /nfs/dbraw/zinc/24/93/56/1021249356.db2.gz JDEYUJHVEMCCIF-IBGZPJMESA-N -1 3 389.455 3.813 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3CN(Cc3ccncc3[O-])[C@H]2C1 ZINC001140273290 1021298433 /nfs/dbraw/zinc/29/84/33/1021298433.db2.gz JEJIQOJMJVSQCV-OALUTQOASA-N -1 3 381.476 3.506 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCc1cccc2ccccc21 ZINC001140273589 1021298746 /nfs/dbraw/zinc/29/87/46/1021298746.db2.gz WYSQZMWRCPBLFG-CVEARBPZSA-N -1 3 391.471 3.653 20 0 GHADHM Cc1ccc(Br)cc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903924357 1021655966 /nfs/dbraw/zinc/65/59/66/1021655966.db2.gz LKXYQBBIPIGVAV-LLVKDONJSA-N -1 3 381.295 3.902 20 0 GHADHM CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc([O-])cc(Br)c1 ZINC001140440815 1021714126 /nfs/dbraw/zinc/71/41/26/1021714126.db2.gz XUTUKZVPLMEBGI-UHFFFAOYSA-N -1 3 394.250 3.538 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc([O-])c2Br)CC12CC2 ZINC001140547732 1021949026 /nfs/dbraw/zinc/94/90/26/1021949026.db2.gz LJSXYTIOHRIWFA-CQSZACIVSA-N -1 3 397.313 3.644 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(c3ccc(F)cc3)CC2)c1Br ZINC001140548623 1021949789 /nfs/dbraw/zinc/94/97/89/1021949789.db2.gz QYZAUWCHWBUYIJ-UHFFFAOYSA-N -1 3 380.257 3.777 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC001140549321 1021950691 /nfs/dbraw/zinc/95/06/91/1021950691.db2.gz HRFCFVNCMOSNEZ-UHFFFAOYSA-N -1 3 385.302 3.598 20 0 GHADHM Cc1cccnc1O[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC001140555324 1021958852 /nfs/dbraw/zinc/95/88/52/1021958852.db2.gz DBBQXGFPJOOVNF-OAHLLOKOSA-N -1 3 377.282 3.902 20 0 GHADHM COc1cccc(O[C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC001140555696 1021959536 /nfs/dbraw/zinc/95/95/36/1021959536.db2.gz RXUOOVCDTDDMTD-CQSZACIVSA-N -1 3 393.281 3.602 20 0 GHADHM Cc1ccnc(O[C@@H]2CCCN(Cc3cccc([O-])c3Br)C2)c1 ZINC001140555760 1021959957 /nfs/dbraw/zinc/95/99/57/1021959957.db2.gz VLUWEXITSQAUPU-OAHLLOKOSA-N -1 3 377.282 3.902 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c([O-])c1 ZINC000679176245 1021970417 /nfs/dbraw/zinc/97/04/17/1021970417.db2.gz FDZOIAFGMCZDCQ-OAHLLOKOSA-N -1 3 384.480 3.586 20 0 GHADHM CC[C@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(F)(F)F ZINC000835659230 1022291977 /nfs/dbraw/zinc/29/19/77/1022291977.db2.gz UVZAZRCPNYVEET-JTQLQIEISA-N -1 3 393.305 3.575 20 0 GHADHM CCC[C@H](Oc1[n-]c(=S)ncc1CC(=O)OCC)c1ccc(OC)cc1 ZINC001228715221 1033060456 /nfs/dbraw/zinc/06/04/56/1033060456.db2.gz DCGSSHGNRMLDJO-INIZCTEOSA-N -1 3 376.478 3.800 20 0 GHADHM COc1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)cc(OC)c1[O-] ZINC000754278620 1022577888 /nfs/dbraw/zinc/57/78/88/1022577888.db2.gz GZUUHITWBKGURP-UHFFFAOYSA-N -1 3 397.305 3.926 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)=Cc3ccc(OC)c(F)c3)nc21 ZINC000754366974 1022644205 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ZINC001228959763 1033200559 /nfs/dbraw/zinc/20/05/59/1033200559.db2.gz KWGCQEAXFZGIGT-CYBMUJFWSA-N -1 3 375.856 3.819 20 0 GHADHM O=C([O-])Cn1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC001138187717 1024331983 /nfs/dbraw/zinc/33/19/83/1024331983.db2.gz XOZWGRNJRCZKEG-UHFFFAOYSA-N -1 3 383.879 3.702 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3ccc(OC(C)C)cc3Cl)c(=O)c2c1C ZINC000837319581 1024343507 /nfs/dbraw/zinc/34/35/07/1024343507.db2.gz IMMDSPYKCALEMC-UHFFFAOYSA-N -1 3 391.880 3.899 20 0 GHADHM COc1cccc([O-])c1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC001141321485 1024542991 /nfs/dbraw/zinc/54/29/91/1024542991.db2.gz KFGXLZZYRNXSKQ-UHFFFAOYSA-N -1 3 375.428 3.611 20 0 GHADHM CC[C@@H]1C(=O)N(C)c2cnc(-c3ccc([O-])cc3C(F)(F)F)nc2N1C(C)C ZINC001205073538 1033236532 /nfs/dbraw/zinc/23/65/32/1033236532.db2.gz QVTSEXXEGKTGFY-CQSZACIVSA-N -1 3 394.397 3.838 20 0 GHADHM O=C(COC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[N-]C(=O)c1cccs1 ZINC000838006132 1024874460 /nfs/dbraw/zinc/87/44/60/1024874460.db2.gz KPBUBQDPRZMWDE-DGCLKSJQSA-N -1 3 395.839 3.534 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000838140814 1024942272 /nfs/dbraw/zinc/94/22/72/1024942272.db2.gz CBVJHNOYMMMEGS-NWDGAFQWSA-N -1 3 379.815 3.536 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc(Cl)c1[O-] ZINC000831917427 1025013108 /nfs/dbraw/zinc/01/31/08/1025013108.db2.gz BUKSCGZATFJPGU-GFCCVEGCSA-N -1 3 377.872 3.921 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000832026260 1025147810 /nfs/dbraw/zinc/14/78/10/1025147810.db2.gz SMNMKWUYUWJZLE-CYBMUJFWSA-N -1 3 392.283 3.604 20 0 GHADHM CC(C)N1CCN(Cc2ccc(-c3ccc(F)c(C(=O)[O-])c3F)c(F)c2)CC1 ZINC001205122336 1033264882 /nfs/dbraw/zinc/26/48/82/1033264882.db2.gz VCEOGXJKZIOPNU-UHFFFAOYSA-N -1 3 392.421 3.995 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000838558440 1025207919 /nfs/dbraw/zinc/20/79/19/1025207919.db2.gz CYPNNVWVJXASAB-ZYHUDNBSSA-N -1 3 387.793 3.612 20 0 GHADHM C[C@@H]1C[C@@H](Oc2cc(O)cc([O-])c2Br)CN1C(=O)OC(C)(C)C ZINC001229098430 1033278588 /nfs/dbraw/zinc/27/85/88/1033278588.db2.gz DXQYWTPDUYQGGN-MWLCHTKSSA-N -1 3 388.258 3.637 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C)c3ccccc23)c([O-])c1 ZINC001161916720 1025493896 /nfs/dbraw/zinc/49/38/96/1025493896.db2.gz XFRRKILLRGFLLI-UHFFFAOYSA-N -1 3 376.456 3.599 20 0 GHADHM Cc1cccc([C@H](CNC(=O)c2cc3sccc3c([O-])c2)N2CCOCC2)c1 ZINC001141611262 1025883548 /nfs/dbraw/zinc/88/35/48/1025883548.db2.gz YRDQUZKIQFRPPN-IBGZPJMESA-N -1 3 396.512 3.719 20 0 GHADHM CC(C)c1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]1 ZINC001162818263 1025929125 /nfs/dbraw/zinc/92/91/25/1025929125.db2.gz FDKUGZHPZMWTNS-UHFFFAOYSA-N -1 3 380.326 3.526 20 0 GHADHM CC(C)(C)OC(=O)CC1(C(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC001141623080 1025932101 /nfs/dbraw/zinc/93/21/01/1025932101.db2.gz UTTRICRFHUBXPR-UHFFFAOYSA-N -1 3 384.270 3.995 20 0 GHADHM CC(C)[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(=O)OC(C)(C)C ZINC001163599073 1026246849 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O=C([O-])Cc1c[nH]c2cc(Cl)c(NCC3CN(Cc4ccccc4)C3)cc12 ZINC001165468840 1026734057 /nfs/dbraw/zinc/73/40/57/1026734057.db2.gz HEMNJXOGZTWEGS-UHFFFAOYSA-N -1 3 383.879 3.992 20 0 GHADHM O=c1[n-]c(SCCCc2cnoc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC001165471323 1026736191 /nfs/dbraw/zinc/73/61/91/1026736191.db2.gz NQCMWNVNMFYSSY-UHFFFAOYSA-N -1 3 387.852 3.887 20 0 GHADHM Cc1cn(C)nc1CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC001165470835 1026736232 /nfs/dbraw/zinc/73/62/32/1026736232.db2.gz DQHQOZXIWHRZNG-UHFFFAOYSA-N -1 3 386.868 3.509 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC001209778804 1027188229 /nfs/dbraw/zinc/18/82/29/1027188229.db2.gz CKCPBWBAXFIXQO-MRXNPFEDSA-N -1 3 388.464 3.828 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccc2ccccc2c1 ZINC001141772067 1027200699 /nfs/dbraw/zinc/20/06/99/1027200699.db2.gz AJHZOWGYTJWKKL-FQEVSTJZSA-N -1 3 391.423 3.782 20 0 GHADHM CCC1(CC)Oc2ccc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2O1 ZINC001203459390 1027353233 /nfs/dbraw/zinc/35/32/33/1027353233.db2.gz IZVANTDSXSBPLK-UHFFFAOYSA-N -1 3 394.435 3.722 20 0 GHADHM CCC1(CC)Oc2ccc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2O1 ZINC001203459390 1027353253 /nfs/dbraw/zinc/35/32/53/1027353253.db2.gz IZVANTDSXSBPLK-UHFFFAOYSA-N -1 3 394.435 3.722 20 0 GHADHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001210292315 1027429722 /nfs/dbraw/zinc/42/97/22/1027429722.db2.gz UUZHNVAVVKFIOZ-NHYWBVRUSA-N -1 3 388.942 3.679 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H](c2ccccc2)C1 ZINC000840354476 1027476223 /nfs/dbraw/zinc/47/62/23/1027476223.db2.gz MMYDZWIHJNCZOA-UBHSHLNASA-N -1 3 381.402 3.595 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)CC(C)(C)C ZINC001141904327 1027630907 /nfs/dbraw/zinc/63/09/07/1027630907.db2.gz NYSDAANYERPEQJ-LBPRGKRZSA-N -1 3 383.448 3.547 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)C[C@H]1OC ZINC001211179755 1027825368 /nfs/dbraw/zinc/82/53/68/1027825368.db2.gz QMSAPHSBMSSPFQ-HZPDHXFCSA-N -1 3 394.562 3.991 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001142039731 1027931578 /nfs/dbraw/zinc/93/15/78/1027931578.db2.gz VAWLPWVKBOTZTP-GOSISDBHSA-N -1 3 377.448 3.753 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c(-c2ccccc2)s1 ZINC001211453791 1027967976 /nfs/dbraw/zinc/96/79/76/1027967976.db2.gz QCDIRYGYKMMKHO-MJGOQNOKSA-N -1 3 392.546 3.602 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1F)C(C)C ZINC001211474954 1027977474 /nfs/dbraw/zinc/97/74/74/1027977474.db2.gz WEEKKQNEHALCEV-HNNXBMFYSA-N -1 3 396.875 3.506 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c(F)cc1F ZINC001213193814 1028039174 /nfs/dbraw/zinc/03/91/74/1028039174.db2.gz HZGXLFJTPMSPRF-CQSZACIVSA-N -1 3 396.242 3.592 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(c3ccccc3)CC2(C)C)cc1F ZINC001213202513 1028042853 /nfs/dbraw/zinc/04/28/53/1028042853.db2.gz SHRAOXDECAFLAX-LJQANCHMSA-N -1 3 381.444 3.620 20 0 GHADHM COc1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1C(F)(F)F ZINC001213259140 1028074103 /nfs/dbraw/zinc/07/41/03/1028074103.db2.gz PXZRFEGUGIJVTF-UHFFFAOYSA-N -1 3 378.310 3.804 20 0 GHADHM O=C(C[C@H]1[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@@H]12)NCc1ccco1 ZINC001142111271 1028140568 /nfs/dbraw/zinc/14/05/68/1028140568.db2.gz GJJPDBKYYHTHCN-QDMKHBRRSA-N -1 3 395.286 3.676 20 0 GHADHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142111239 1028140693 /nfs/dbraw/zinc/14/06/93/1028140693.db2.gz DZZLQDVUZOLIHZ-RYUDHWBXSA-N -1 3 381.259 3.639 20 0 GHADHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001213372791 1028145083 /nfs/dbraw/zinc/14/50/83/1028145083.db2.gz DQXLWWSSTSVRBR-AWEZNQCLSA-N -1 3 396.372 3.510 20 0 GHADHM CS(=O)(=O)c1cc(Br)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213386547 1028154613 /nfs/dbraw/zinc/15/46/13/1028154613.db2.gz IWIUIZFWGLHFLN-UHFFFAOYSA-N -1 3 378.194 3.580 20 0 GHADHM NC(=O)c1ccc(O[C@H]2CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)cc1 ZINC001142122359 1028189110 /nfs/dbraw/zinc/18/91/10/1028189110.db2.gz YTFSEOCIUCEVJX-HNNXBMFYSA-N -1 3 395.286 3.841 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CCC2)sc1Br ZINC001213499433 1028229661 /nfs/dbraw/zinc/22/96/61/1028229661.db2.gz ZBRQSDJJUSPTQD-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1cccc2ccccc21 ZINC001213737596 1028356131 /nfs/dbraw/zinc/35/61/31/1028356131.db2.gz GTZNYWANMCKWOZ-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1ccc(Br)cc1F ZINC001213751599 1028364231 /nfs/dbraw/zinc/36/42/31/1028364231.db2.gz JEAIUYVEMPIQAW-AWEZNQCLSA-N -1 3 388.233 3.693 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)CCCCC1 ZINC001213963590 1028476412 /nfs/dbraw/zinc/47/64/12/1028476412.db2.gz ROPIUOLRQBWING-SDNWHVSQSA-N -1 3 383.485 3.760 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1C1CCCC1)c1cnc(Cl)c(Br)c1 ZINC001214075171 1028535953 /nfs/dbraw/zinc/53/59/53/1028535953.db2.gz HGCKCQUGUAWKGC-CMPLNLGQSA-N -1 3 393.734 3.602 20 0 GHADHM CCOc1ccc(C(=O)[O-])cc1Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001214275009 1028644042 /nfs/dbraw/zinc/64/40/42/1028644042.db2.gz LDIWYELXFHVDRR-UHFFFAOYSA-N -1 3 383.492 3.665 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)CC(F)(F)F ZINC000841559802 1028731067 /nfs/dbraw/zinc/73/10/67/1028731067.db2.gz HWAKKVOFOGPGIH-SECBINFHSA-N -1 3 383.819 3.726 20 0 GHADHM COc1cc(-c2noc(-c3ccc([O-])c(=O)[nH]3)n2)ccc1OCc1ccccc1 ZINC001214538060 1028781721 /nfs/dbraw/zinc/78/17/21/1028781721.db2.gz GRJYTTBPHWKPGD-UHFFFAOYSA-N -1 3 391.383 3.797 20 0 GHADHM COC(=O)c1cc(Br)c(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214558169 1028792509 /nfs/dbraw/zinc/79/25/09/1028792509.db2.gz QQWIHAZVPWBPCT-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001142443752 1028930189 /nfs/dbraw/zinc/93/01/89/1028930189.db2.gz GYMJOPAWNBLHCZ-WCQYABFASA-N -1 3 398.297 3.595 20 0 GHADHM CC(C)=CCSC[C@H](NCc1cc2cnn(C(C)C)c2nc1Cl)C(=O)[O-] ZINC000841808141 1028957179 /nfs/dbraw/zinc/95/71/79/1028957179.db2.gz IXRUAYQSKKYQPY-HNNXBMFYSA-N -1 3 396.944 3.908 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cc(F)ccc2I)no1 ZINC001215301791 1029139884 /nfs/dbraw/zinc/13/98/84/1029139884.db2.gz IQPIYIIYEHOGNY-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM O=C([N-]c1ccn(-c2ccccc2C(F)(F)F)n1)c1nnc(-c2ccco2)o1 ZINC001142636779 1029189489 /nfs/dbraw/zinc/18/94/89/1029189489.db2.gz KXOZJLIAKASQEF-UHFFFAOYSA-N -1 3 389.293 3.786 20 0 GHADHM CSc1nc(Br)c(Nc2cc(F)c([O-])cc2F)n2ccnc12 ZINC001215572010 1029289253 /nfs/dbraw/zinc/28/92/53/1029289253.db2.gz LJAGLDGEIGZNHY-UHFFFAOYSA-N -1 3 387.209 3.941 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(COC)ccc1Cl)OCC ZINC001215595878 1029299154 /nfs/dbraw/zinc/29/91/54/1029299154.db2.gz PZCSNJFQKAXSCI-UHFFFAOYSA-N -1 3 381.860 3.667 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCC[C@@H]3CC3(Cl)Cl)[n-]c(=O)c12 ZINC000842548512 1029378539 /nfs/dbraw/zinc/37/85/39/1029378539.db2.gz XRMUZWNZLZLSBC-MRVPVSSYSA-N -1 3 388.276 3.501 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OC)c(SC)c1)c1ccccc1N ZINC001215937153 1029462918 /nfs/dbraw/zinc/46/29/18/1029462918.db2.gz QNPIIFKMZQEQJD-UHFFFAOYSA-N -1 3 377.491 3.778 20 0 GHADHM Cc1cc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)cc(C)c1Br ZINC001216014286 1029491585 /nfs/dbraw/zinc/49/15/85/1029491585.db2.gz KYXAQSGEURMJPY-UHFFFAOYSA-N -1 3 397.236 3.963 20 0 GHADHM Cc1cc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)cc(C)c1Br ZINC001216014286 1029491596 /nfs/dbraw/zinc/49/15/96/1029491596.db2.gz KYXAQSGEURMJPY-UHFFFAOYSA-N -1 3 397.236 3.963 20 0 GHADHM Cc1noc(N(c2cc(C)c(F)c([O-])c2)S(=O)(=O)c2ccc(N)cc2)c1C ZINC001216080729 1029517895 /nfs/dbraw/zinc/51/78/95/1029517895.db2.gz KUEUIGOVSYSKII-UHFFFAOYSA-N -1 3 391.424 3.554 20 0 GHADHM Cc1c(Br)cccc1-c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001216107894 1029526919 /nfs/dbraw/zinc/52/69/19/1029526919.db2.gz HZZDZTSTBGNGSI-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1c(Br)cccc1-c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001216107894 1029526928 /nfs/dbraw/zinc/52/69/28/1029526928.db2.gz HZZDZTSTBGNGSI-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3ccccc3N(C)c3ccccc3)c2c(=O)n1C ZINC001142822061 1029532135 /nfs/dbraw/zinc/53/21/35/1029532135.db2.gz ZATYEAXGJVOFCO-UHFFFAOYSA-N -1 3 387.443 3.590 20 0 GHADHM COc1ccc(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)c(Cl)c1[O-] ZINC001276735876 1029557655 /nfs/dbraw/zinc/55/76/55/1029557655.db2.gz MBQVEJYHWWXLBX-HXUWFJFHSA-N -1 3 378.900 3.587 20 0 GHADHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736844 1029581901 /nfs/dbraw/zinc/58/19/01/1029581901.db2.gz XXJJTWXMHVNEPH-XOBRGWDASA-N -1 3 380.916 3.810 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142913674 1029684418 /nfs/dbraw/zinc/68/44/18/1029684418.db2.gz GOMNTHUFCGBHPB-CLFYSBASSA-N -1 3 396.241 3.763 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142913674 1029684425 /nfs/dbraw/zinc/68/44/25/1029684425.db2.gz GOMNTHUFCGBHPB-CLFYSBASSA-N -1 3 396.241 3.763 20 0 GHADHM CCOC(=O)[C@@H](C)n1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001216688578 1029730538 /nfs/dbraw/zinc/73/05/38/1029730538.db2.gz HVKCQEGKLAEAQJ-SECBINFHSA-N -1 3 379.214 3.655 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3cc([O-])cc(Cl)c3)n2)n1 ZINC001216702383 1029735102 /nfs/dbraw/zinc/73/51/02/1029735102.db2.gz QFMBAJOZYWLQTL-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(F)c(I)c2)no1 ZINC001216736800 1029913024 /nfs/dbraw/zinc/91/30/24/1029913024.db2.gz KDBJQRKEEOXDGP-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM COc1ccc(Cl)c(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)c1 ZINC001216961536 1030035081 /nfs/dbraw/zinc/03/50/81/1030035081.db2.gz GKJDRQVNTOLGQE-UHFFFAOYSA-N -1 3 385.807 3.650 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1[O-] ZINC001149121965 1030069114 /nfs/dbraw/zinc/06/91/14/1030069114.db2.gz KVFZCZQKMARFOE-UHFFFAOYSA-N -1 3 389.455 3.844 20 0 GHADHM Cc1c(Cl)cccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC001217019523 1030097031 /nfs/dbraw/zinc/09/70/31/1030097031.db2.gz VUVZFQVFDJVOEA-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2ccccc2I)no1 ZINC001217085176 1030150835 /nfs/dbraw/zinc/15/08/35/1030150835.db2.gz IAGLOWTUVFRAIO-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM Ic1ccccc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217137190 1030189046 /nfs/dbraw/zinc/18/90/46/1030189046.db2.gz RDNWAEOEZNHPKR-UHFFFAOYSA-N -1 3 388.168 3.885 20 0 GHADHM CN1CCC(Oc2ccnc(-c3cc(C(=O)[O-])cc(C(F)(F)F)c3)c2)CC1 ZINC001222605228 1030229341 /nfs/dbraw/zinc/22/93/41/1030229341.db2.gz YCROIFBLLSFYMF-UHFFFAOYSA-N -1 3 380.366 3.939 20 0 GHADHM Fc1cc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)ccc1OC1COC1 ZINC001217256763 1030261757 /nfs/dbraw/zinc/26/17/57/1030261757.db2.gz DUOGKUDUAJIHAO-UHFFFAOYSA-N -1 3 386.770 3.850 20 0 GHADHM Fc1cc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)ccc1OC1COC1 ZINC001217256763 1030261769 /nfs/dbraw/zinc/26/17/69/1030261769.db2.gz DUOGKUDUAJIHAO-UHFFFAOYSA-N -1 3 386.770 3.850 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)c(Br)c1 ZINC001217354670 1030331066 /nfs/dbraw/zinc/33/10/66/1030331066.db2.gz ILFNDZSQNPSTQY-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001217419273 1030378774 /nfs/dbraw/zinc/37/87/74/1030378774.db2.gz UBVJQGJQOKYUDB-UHFFFAOYSA-N -1 3 389.411 3.805 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(C2CCCCC2)n[nH]1 ZINC001150395048 1030515188 /nfs/dbraw/zinc/51/51/88/1030515188.db2.gz IBULEKVDJLOMQL-UHFFFAOYSA-N -1 3 378.270 3.856 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001150405405 1030517158 /nfs/dbraw/zinc/51/71/58/1030517158.db2.gz HHDMOISBVYRTAU-ZTFGCOKTSA-N -1 3 388.508 3.855 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H](C)c3ccncc3F)nc21 ZINC001223401564 1030555345 /nfs/dbraw/zinc/55/53/45/1030555345.db2.gz BLDYXVOQLKWKGC-XLFHBGCDSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H](C)c3ccncc3F)[n-]c21 ZINC001223401564 1030555353 /nfs/dbraw/zinc/55/53/53/1030555353.db2.gz BLDYXVOQLKWKGC-XLFHBGCDSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H]3CCc4cccnc43)nc21 ZINC001223402628 1030556087 /nfs/dbraw/zinc/55/60/87/1030556087.db2.gz FORCSODLTXMWJL-UGSOOPFHSA-N -1 3 375.787 3.767 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H]3CCc4cccnc43)[n-]c21 ZINC001223402628 1030556093 /nfs/dbraw/zinc/55/60/93/1030556093.db2.gz FORCSODLTXMWJL-UGSOOPFHSA-N -1 3 375.787 3.767 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001150719559 1030624638 /nfs/dbraw/zinc/62/46/38/1030624638.db2.gz NWQHTOVFOWOACE-SFHVURJKSA-N -1 3 396.882 3.967 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001150719559 1030624648 /nfs/dbraw/zinc/62/46/48/1030624648.db2.gz NWQHTOVFOWOACE-SFHVURJKSA-N -1 3 396.882 3.967 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001150755363 1030642168 /nfs/dbraw/zinc/64/21/68/1030642168.db2.gz OBBVEDBWCUTCNC-KRWDZBQOSA-N -1 3 394.393 3.565 20 0 GHADHM COC(=O)c1oc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1C ZINC001150903269 1030703269 /nfs/dbraw/zinc/70/32/69/1030703269.db2.gz YKSXBVWADIUNCB-UHFFFAOYSA-N -1 3 379.412 3.601 20 0 GHADHM C[C@H](CO[N-]C(=O)/C=C\Sc1cc(F)ccc1F)NC(=O)OC(C)(C)C ZINC001151184016 1030796792 /nfs/dbraw/zinc/79/67/92/1030796792.db2.gz BSGDQOBRXRIMAH-SKVAFPRGSA-N -1 3 388.436 3.532 20 0 GHADHM CC(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)Nc1nccs1 ZINC001151308079 1030856499 /nfs/dbraw/zinc/85/64/99/1030856499.db2.gz SYMGGSKAWGOBBK-HNNXBMFYSA-N -1 3 375.494 3.755 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cn2c(cccc2Cl)n1 ZINC001151366515 1030879635 /nfs/dbraw/zinc/87/96/35/1030879635.db2.gz KCAGYTURCKEQDC-UHFFFAOYSA-N -1 3 382.807 3.898 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1nc(C)nc2sccc21 ZINC001151365304 1030879966 /nfs/dbraw/zinc/87/99/66/1030879966.db2.gz TXYLJFHTVUMFNM-UHFFFAOYSA-N -1 3 380.429 3.910 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(C2OCCO2)cc1 ZINC001151372157 1030883681 /nfs/dbraw/zinc/88/36/81/1030883681.db2.gz FACOFZBJSDTFHS-UHFFFAOYSA-N -1 3 380.400 3.642 20 0 GHADHM O=C(Nc1ccc2nc(O[C@H]3C[C@H](O)C3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001218360419 1030909778 /nfs/dbraw/zinc/90/97/78/1030909778.db2.gz ZOHMIOKGMVDIOO-WKILWMFISA-N -1 3 389.411 3.576 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@]12C[C@H]1CCCC2 ZINC001151490816 1030923773 /nfs/dbraw/zinc/92/37/73/1030923773.db2.gz KYZWKQQSKHQSHY-CRTZDJKQSA-N -1 3 389.293 3.989 20 0 GHADHM O=C(Nc1ccc2nc(O[C@H]3C[C@@H](O)C3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001218416203 1030930374 /nfs/dbraw/zinc/93/03/74/1030930374.db2.gz ZOHMIOKGMVDIOO-IYBDPMFKSA-N -1 3 389.411 3.576 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1c2ccccc2ncc1C(F)(F)F ZINC001152318055 1031187549 /nfs/dbraw/zinc/18/75/49/1031187549.db2.gz SNLHKJFEUJRHPR-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1c2ccccc2ncc1C(F)(F)F ZINC001152318055 1031187561 /nfs/dbraw/zinc/18/75/61/1031187561.db2.gz SNLHKJFEUJRHPR-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CSc1nnc([N-]C(=O)c2cc3ccccc3nc2Cl)c(SC)n1 ZINC001152400173 1031219355 /nfs/dbraw/zinc/21/93/55/1031219355.db2.gz QBNHLCHOUKZIDH-UHFFFAOYSA-N -1 3 377.882 3.769 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1cccc2c1[N-]C(=O)C2=O ZINC001152448307 1031245665 /nfs/dbraw/zinc/24/56/65/1031245665.db2.gz IJDUIPHZYJUPNQ-UHFFFAOYSA-N -1 3 395.321 3.539 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C ZINC000321778967 1031268341 /nfs/dbraw/zinc/26/83/41/1031268341.db2.gz RCAABFPSPSCVNV-CYBMUJFWSA-N -1 3 382.309 3.638 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cccc(C)c2Br)c([O-])c1 ZINC001153027926 1031436716 /nfs/dbraw/zinc/43/67/16/1031436716.db2.gz QJPXDPHTUGBMMQ-UHFFFAOYSA-N -1 3 392.249 3.821 20 0 GHADHM Cc1cc([O-])c(I)c(O[C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001225510219 1031445572 /nfs/dbraw/zinc/44/55/72/1031445572.db2.gz GVTCJPZPMSXFLM-JTQLQIEISA-N -1 3 392.233 3.804 20 0 GHADHM COc1ccc([C@H](C)Oc2cc(C)cc([O-])c2I)cn1 ZINC001225510660 1031446279 /nfs/dbraw/zinc/44/62/79/1031446279.db2.gz LIALWHHBXJMIHU-JTQLQIEISA-N -1 3 385.201 3.849 20 0 GHADHM Cc1cc([O-])c(I)c(O[C@H](C)C(=O)OCCC(C)C)c1 ZINC001225511855 1031447447 /nfs/dbraw/zinc/44/74/47/1031447447.db2.gz WJFYMMBOEJOKFC-LLVKDONJSA-N -1 3 392.233 3.662 20 0 GHADHM O=C(C[C@H]1CCc2sccc2C1=O)Nc1cc(Br)ccc1[O-] ZINC001153473530 1031606883 /nfs/dbraw/zinc/60/68/83/1031606883.db2.gz NTQXXAYJMGGLJC-SECBINFHSA-N -1 3 380.263 3.990 20 0 GHADHM CN1CCN(c2ccc(F)cc2NC(=O)c2c([O-])ccc3ccccc32)CC1 ZINC001153506587 1031624299 /nfs/dbraw/zinc/62/42/99/1031624299.db2.gz YNCQQVWOURTIPX-UHFFFAOYSA-N -1 3 379.435 3.689 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001153616797 1031674613 /nfs/dbraw/zinc/67/46/13/1031674613.db2.gz OHYNKENFBYITIV-UHFFFAOYSA-N -1 3 388.508 3.989 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC001225898899 1031684516 /nfs/dbraw/zinc/68/45/16/1031684516.db2.gz FNUSPDWAWDYZBV-SSDOTTSWSA-N -1 3 375.183 3.945 20 0 GHADHM CC(=O)c1ccc([O-])c(OC(C)(C)[C@H]2Cc3cc4ccc(=O)oc4cc3O2)c1 ZINC001225995895 1031734204 /nfs/dbraw/zinc/73/42/04/1031734204.db2.gz UZNPSSBOHGXKTB-HXUWFJFHSA-N -1 3 380.396 3.862 20 0 GHADHM O=C(Nc1cnc2occc2c1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153874001 1031787295 /nfs/dbraw/zinc/78/72/95/1031787295.db2.gz NOPKQRFLPOPMFL-UHFFFAOYSA-N -1 3 384.189 3.684 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3[n-]c(=S)ncc3C3CC3)C2)C1 ZINC001226116695 1031796382 /nfs/dbraw/zinc/79/63/82/1031796382.db2.gz FCWFAVVYFCPECG-UHFFFAOYSA-N -1 3 377.510 3.811 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153903403 1031802612 /nfs/dbraw/zinc/80/26/12/1031802612.db2.gz KGPIHBKJNSJLDP-UHFFFAOYSA-N -1 3 392.846 3.639 20 0 GHADHM COc1cc(OC)cc([C@H](C)NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c1 ZINC001153909243 1031805786 /nfs/dbraw/zinc/80/57/86/1031805786.db2.gz SYPMWXUUKFIKNN-NSHDSACASA-N -1 3 386.835 3.690 20 0 GHADHM CC(C)(CC(=O)c1ccccc1)CC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001153976146 1031850172 /nfs/dbraw/zinc/85/01/72/1031850172.db2.gz LSLMLACVUYGOPQ-UHFFFAOYSA-N -1 3 379.460 3.591 20 0 GHADHM COc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(OCCC(C)C)c1 ZINC001153976735 1031850507 /nfs/dbraw/zinc/85/05/07/1031850507.db2.gz VKRBAHAURUZNHX-UHFFFAOYSA-N -1 3 397.475 3.649 20 0 GHADHM CC(C)(C)c1cnn2cc(NC(=O)c3c([O-])cc4ccccc4c3O)cnc12 ZINC001154023501 1031880336 /nfs/dbraw/zinc/88/03/36/1031880336.db2.gz XRNYWXINLDTBHJ-UHFFFAOYSA-N -1 3 376.416 3.844 20 0 GHADHM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1c(O)cc2ccccc2c1[O-] ZINC001154030368 1031888225 /nfs/dbraw/zinc/88/82/25/1031888225.db2.gz CNAVHOZHIAPJBY-OAHLLOKOSA-N -1 3 391.345 3.733 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001154189276 1031975569 /nfs/dbraw/zinc/97/55/69/1031975569.db2.gz PHYQLXVTMCGJQH-UHFFFAOYSA-N -1 3 376.747 3.953 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001154189276 1031975579 /nfs/dbraw/zinc/97/55/79/1031975579.db2.gz PHYQLXVTMCGJQH-UHFFFAOYSA-N -1 3 376.747 3.953 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001154189276 1031975583 /nfs/dbraw/zinc/97/55/83/1031975583.db2.gz PHYQLXVTMCGJQH-UHFFFAOYSA-N -1 3 376.747 3.953 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)[C@@H](F)C1 ZINC001226593683 1032029629 /nfs/dbraw/zinc/02/96/29/1032029629.db2.gz FMNGJLVDZJPNAY-DZGCQCFKSA-N -1 3 393.411 3.615 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001157222995 1033480398 /nfs/dbraw/zinc/48/03/98/1033480398.db2.gz SFONFSVBOUOBPE-HZPDHXFCSA-N -1 3 395.503 3.767 20 0 GHADHM Cc1ccc(Nc2scnc2C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001157241506 1033487415 /nfs/dbraw/zinc/48/74/15/1033487415.db2.gz AQSWMJLBGNIXSQ-VIFPVBQESA-N -1 3 396.398 3.823 20 0 GHADHM CCN1CCC[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(OC)cc2)O3)C1 ZINC001229463906 1033497205 /nfs/dbraw/zinc/49/72/05/1033497205.db2.gz KTDPGGKPAZIDSY-QUCCMNQESA-N -1 3 397.471 3.970 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCn2cc(-c3ccccc3)nc2C1 ZINC001157307369 1033520306 /nfs/dbraw/zinc/52/03/06/1033520306.db2.gz FSRRNJFIOJUYCL-UHFFFAOYSA-N -1 3 393.850 3.847 20 0 GHADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC[C@H](C)OC[C@@H](C)OC)c1 ZINC001229810537 1033732822 /nfs/dbraw/zinc/73/28/22/1033732822.db2.gz JJVJMFBGSGLJCZ-KGLIPLIRSA-N -1 3 376.449 3.884 20 0 GHADHM COC(=O)c1cc(NC(=O)c2nc3ccccc3cc2C2CC2)c([O-])c(OC)c1 ZINC001158245283 1033985314 /nfs/dbraw/zinc/98/53/14/1033985314.db2.gz FGPZHBPSRRZJAW-UHFFFAOYSA-N -1 3 392.411 3.865 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1nc(Cl)sc1Cl ZINC001158344716 1034034636 /nfs/dbraw/zinc/03/46/36/1034034636.db2.gz GFZLSUSOTAMFAY-UHFFFAOYSA-N -1 3 397.243 3.782 20 0 GHADHM O=C(c1ccccn1)[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1ccccn1 ZINC001230886116 1034271915 /nfs/dbraw/zinc/27/19/15/1034271915.db2.gz OTOUIKPLRKVLIR-GOSISDBHSA-N -1 3 392.802 3.782 20 0 GHADHM Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1F ZINC001231459669 1034603888 /nfs/dbraw/zinc/60/38/88/1034603888.db2.gz FQZZQHCZJPAPKW-BCDXTJNWSA-N -1 3 386.471 3.915 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C[C@H]1F ZINC001231520988 1034672230 /nfs/dbraw/zinc/67/22/30/1034672230.db2.gz AJGJZOOTDSOQEC-ZIAGYGMSSA-N -1 3 392.393 3.848 20 0 GHADHM O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC001231525280 1034676938 /nfs/dbraw/zinc/67/69/38/1034676938.db2.gz YSXYXABQJFNNPA-ZBFHGGJFSA-N -1 3 394.393 3.741 20 0 GHADHM [O-]c1ccc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1C(F)(F)F ZINC001231525061 1034677233 /nfs/dbraw/zinc/67/72/33/1034677233.db2.gz TZMDBFINCIZYLE-APWZRJJASA-N -1 3 394.393 3.618 20 0 GHADHM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231527588 1034680144 /nfs/dbraw/zinc/68/01/44/1034680144.db2.gz NXYDQZXZPBQNNB-AWEZNQCLSA-N -1 3 389.414 3.734 20 0 GHADHM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231528021 1034680805 /nfs/dbraw/zinc/68/08/05/1034680805.db2.gz WWJPQSQGAIGIAL-MSOLQXFVSA-N -1 3 395.377 3.526 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1cc2cc(F)ccc2o1 ZINC001207977097 1034688828 /nfs/dbraw/zinc/68/88/28/1034688828.db2.gz RFURCOFTZJJUJL-SFHVURJKSA-N -1 3 388.464 3.687 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccccc1)c1cnc(-c2ccccc2)s1 ZINC001208058618 1034722597 /nfs/dbraw/zinc/72/25/97/1034722597.db2.gz WZZQUSGAHUEEFP-UHFFFAOYSA-N -1 3 388.514 3.948 20 0 GHADHM CC(C)COCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001208065754 1034724340 /nfs/dbraw/zinc/72/43/40/1034724340.db2.gz YGPQWVIYZOEFJO-UHFFFAOYSA-N -1 3 388.942 3.805 20 0 GHADHM CCCC[C@@](CC)(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C(=O)OCC ZINC001160060331 1034847793 /nfs/dbraw/zinc/84/77/93/1034847793.db2.gz WQADIQSKXYCLFW-CQSZACIVSA-N -1 3 381.876 3.960 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)ccc1Cl ZINC001231729865 1034866779 /nfs/dbraw/zinc/86/67/79/1034866779.db2.gz BGTTWNJKBPMPTB-YFVAEKQCSA-N -1 3 388.895 3.779 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2cccc(NC(=O)CC(C)C)c2)c1 ZINC001208537980 1034928774 /nfs/dbraw/zinc/92/87/74/1034928774.db2.gz ZUANYBUTTQMMMP-UHFFFAOYSA-N -1 3 395.912 3.507 20 0 GHADHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001161281345 1035200726 /nfs/dbraw/zinc/20/07/26/1035200726.db2.gz YHOJKWFPUIFYQN-AWEZNQCLSA-N -1 3 397.479 3.733 20 0 GHADHM COc1cc(-c2noc(Cc3ccc([O-])cc3F)n2)ccc1Br ZINC001248141463 1035560734 /nfs/dbraw/zinc/56/07/34/1035560734.db2.gz CBSKEVPUDWGZPN-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM COc1c(F)cc(F)cc1-c1noc([C@@H](N)Cc2ccc([O-])c(Cl)c2)n1 ZINC001248248683 1035696382 /nfs/dbraw/zinc/69/63/82/1035696382.db2.gz DEMJJYIIQUJNJQ-ZDUSSCGKSA-N -1 3 381.766 3.625 20 0 GHADHM FC(F)(F)c1cc(-c2ccc(N3CCOCC3)c(Cl)c2)nc(=S)[n-]1 ZINC001242888074 1035983821 /nfs/dbraw/zinc/98/38/21/1035983821.db2.gz WBHPAXYKHPTWDN-UHFFFAOYSA-N -1 3 375.803 3.941 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccc(-c4nn[nH]n4)c3)c2)cc1 ZINC001242910602 1035994586 /nfs/dbraw/zinc/99/45/86/1035994586.db2.gz GZWFUULPMUETFY-UHFFFAOYSA-N -1 3 391.456 3.643 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC001244380066 1036485302 /nfs/dbraw/zinc/48/53/02/1036485302.db2.gz BCTGBLBWTWDVTF-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC001244380066 1036485311 /nfs/dbraw/zinc/48/53/11/1036485311.db2.gz BCTGBLBWTWDVTF-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2ccc3cncn3c2)cc1 ZINC001245894297 1037045799 /nfs/dbraw/zinc/04/57/99/1037045799.db2.gz HXFZVGSVAZQCPF-UHFFFAOYSA-N -1 3 394.456 3.596 20 0 GHADHM CCCC[C@H](CC)CN1CCO[C@H]2CN(Cc3sccc3C(=O)[O-])C[C@@H]21 ZINC001278455476 1037483740 /nfs/dbraw/zinc/48/37/40/1037483740.db2.gz IMUYWOIZRMBCBX-SZMVWBNQSA-N -1 3 380.554 3.548 20 0 GHADHM CC1(C)CC(=O)c2ccc(-c3noc(C(=O)[N-]c4ccc(Cl)cn4)n3)cc2O1 ZINC001247263564 1038042741 /nfs/dbraw/zinc/04/27/41/1038042741.db2.gz CXRBONIQSVLUTK-UHFFFAOYSA-N -1 3 398.806 3.781 20 0 GHADHM Cc1ccc(Cl)c(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)c1 ZINC001247690374 1038329768 /nfs/dbraw/zinc/32/97/68/1038329768.db2.gz NJYHPLFFMUKXAB-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM [O-]c1cccc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1Cl ZINC001232788038 1038555736 /nfs/dbraw/zinc/55/57/36/1038555736.db2.gz WKLGHYRDEHKKDU-SFHVURJKSA-N -1 3 388.895 3.781 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1 ZINC001232931492 1038713677 /nfs/dbraw/zinc/71/36/77/1038713677.db2.gz PDAGOBIAKQRCNE-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232939586 1038718809 /nfs/dbraw/zinc/71/88/09/1038718809.db2.gz SAYGNMMDAVBZKF-OAHLLOKOSA-N -1 3 382.451 3.940 20 0 GHADHM CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3cc([O-])c(F)c(F)c3)C2)C1=O ZINC001232971901 1038743474 /nfs/dbraw/zinc/74/34/74/1038743474.db2.gz RPOJSDDHUAIVHE-QFIPXVFZSA-N -1 3 386.442 3.817 20 0 GHADHM Cc1cccc(COCc2cnc3n2CCN(Cc2cccc([O-])c2F)[C@@H]3C)n1 ZINC001233051793 1038809693 /nfs/dbraw/zinc/80/96/93/1038809693.db2.gz YBDCOJMTPJXPJY-MRXNPFEDSA-N -1 3 396.466 3.725 20 0 GHADHM Cc1cncc(COCc2cnc3n2CCN(Cc2cccc([O-])c2F)[C@@H]3C)c1 ZINC001233052783 1038810394 /nfs/dbraw/zinc/81/03/94/1038810394.db2.gz WBXPHVYQVJDESB-MRXNPFEDSA-N -1 3 396.466 3.725 20 0 GHADHM CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1cccc([O-])c1F)C2 ZINC001233052669 1038811558 /nfs/dbraw/zinc/81/15/58/1038811558.db2.gz RYVUCOBVYODMGY-UHFFFAOYSA-N -1 3 381.451 3.710 20 0 GHADHM CNC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC001252198608 1038902556 /nfs/dbraw/zinc/90/25/56/1038902556.db2.gz REXIRUJAHSIJKM-UHFFFAOYSA-N -1 3 396.468 3.948 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278675067 1039061192 /nfs/dbraw/zinc/06/11/92/1039061192.db2.gz WZBOJFINTLLIDI-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM Cc1nc(COC(=O)CCc2c(C)nc[n-]c2=O)oc1-c1ccc(Cl)cc1 ZINC001252843149 1039203182 /nfs/dbraw/zinc/20/31/82/1039203182.db2.gz NOXVAJVGFQIQQN-UHFFFAOYSA-N -1 3 387.823 3.783 20 0 GHADHM CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233395468 1039229514 /nfs/dbraw/zinc/22/95/14/1039229514.db2.gz YSVAFSIJKYZGRA-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396535 1039230673 /nfs/dbraw/zinc/23/06/73/1039230673.db2.gz IDKBPDBCVGPQHI-PKOBYXMFSA-N -1 3 375.415 3.982 20 0 GHADHM CCOP(=O)(OCC)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC001252888934 1039233258 /nfs/dbraw/zinc/23/32/58/1039233258.db2.gz TVNIDERSAFVHCE-UHFFFAOYSA-N -1 3 383.406 3.520 20 0 GHADHM COc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398730 1039235298 /nfs/dbraw/zinc/23/52/98/1039235298.db2.gz WQDAZKUCQLWRDZ-UONOGXRCSA-N -1 3 382.888 3.638 20 0 GHADHM COCCc1ccc(OC[C@@H](O)CNc2cc(Cl)c([O-])cc2Cl)cc1 ZINC001253056639 1039384144 /nfs/dbraw/zinc/38/41/44/1039384144.db2.gz OEEOWXGYVRGEFG-ZDUSSCGKSA-N -1 3 386.275 3.740 20 0 GHADHM CCN1CC[C@@H](Oc2cc(C(=O)OC(C)(C)C)cc([O-])c2Br)C1 ZINC001233527737 1039414134 /nfs/dbraw/zinc/41/41/34/1039414134.db2.gz CBLZCMWMKXJOGF-GFCCVEGCSA-N -1 3 386.286 3.583 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2Oc1c([O-])cc(Cl)cc1F ZINC001234445743 1040039398 /nfs/dbraw/zinc/03/93/98/1040039398.db2.gz AZVZBYPYXYIQBS-KBXCAEBGSA-N -1 3 387.835 3.732 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2Oc1c([O-])cc(Cl)cc1F ZINC001234445749 1040039430 /nfs/dbraw/zinc/03/94/30/1040039430.db2.gz AZVZBYPYXYIQBS-KDOFPFPSSA-N -1 3 387.835 3.732 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1cccc(C(F)(F)F)c1 ZINC001254213594 1040069294 /nfs/dbraw/zinc/06/92/94/1040069294.db2.gz OUSDRVCBDPHTFU-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234688819 1040221182 /nfs/dbraw/zinc/22/11/82/1040221182.db2.gz KRYPBKOHHPDXDL-OAHLLOKOSA-N -1 3 383.448 3.628 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690388 1040222589 /nfs/dbraw/zinc/22/25/89/1040222589.db2.gz BFFQZNRYFSVHEJ-ZBFHGGJFSA-N -1 3 385.464 3.874 20 0 GHADHM CCN1CCC[C@@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)C1 ZINC001234725219 1040252999 /nfs/dbraw/zinc/25/29/99/1040252999.db2.gz BQVSMTIKOSOEGR-OAHLLOKOSA-N -1 3 381.428 3.734 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(O[C@H]3CCCOC3)c-2o1 ZINC001234732719 1040259096 /nfs/dbraw/zinc/25/90/96/1040259096.db2.gz HMKQORICBCGZEW-ZDUSSCGKSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234794075 1040324979 /nfs/dbraw/zinc/32/49/79/1040324979.db2.gz YABSBFLDOUOXCJ-LPMFXHHGSA-N -1 3 391.464 3.689 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Br)cc1 ZINC001255008656 1040724986 /nfs/dbraw/zinc/72/49/86/1040724986.db2.gz PZHPXDZOJISBQZ-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001255322991 1040946840 /nfs/dbraw/zinc/94/68/40/1040946840.db2.gz CUSXDCXLJOGTIB-UHFFFAOYSA-N -1 3 391.512 3.502 20 0 GHADHM Cc1ccc(I)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC001255490281 1041087750 /nfs/dbraw/zinc/08/77/50/1041087750.db2.gz AAKCRRWGRWVEID-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CCC2)c1ccc(OC(F)(F)F)cc1 ZINC001255809250 1041315973 /nfs/dbraw/zinc/31/59/73/1041315973.db2.gz SWGQYMQEKGTRPT-INIZCTEOSA-N -1 3 387.379 3.756 20 0 GHADHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F ZINC001255931222 1041419866 /nfs/dbraw/zinc/41/98/66/1041419866.db2.gz QLUUNLMNNBBJBQ-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(F)c1Br)c1ccc(F)cc1F ZINC001256061631 1041500708 /nfs/dbraw/zinc/50/07/08/1041500708.db2.gz BXRFAZCGUROUHA-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM COCc1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001256076699 1041511816 /nfs/dbraw/zinc/51/18/16/1041511816.db2.gz AYGHHAHKSAGKNS-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001256125683 1041557335 /nfs/dbraw/zinc/55/73/35/1041557335.db2.gz OJKKRMKSEHETAX-OCCSQVGLSA-N -1 3 388.233 3.562 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)c([O-])c1 ZINC001236684823 1041830196 /nfs/dbraw/zinc/83/01/96/1041830196.db2.gz XPISZXBBTOOMDK-OKILXGFUSA-N -1 3 397.313 3.738 20 0 GHADHM O=C1CN(Cc2ccc(Br)c([O-])c2)CCN1c1ccccc1Cl ZINC001236688843 1041833438 /nfs/dbraw/zinc/83/34/38/1041833438.db2.gz BVFAFKGFZOCSPG-UHFFFAOYSA-N -1 3 395.684 3.657 20 0 GHADHM CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236693530 1041835579 /nfs/dbraw/zinc/83/55/79/1041835579.db2.gz YUDQZOWUXMWYLF-UHFFFAOYSA-N -1 3 385.302 3.644 20 0 GHADHM [O-]c1cc(CN2Cc3cc(Br)cnc3C2)ccc1Br ZINC001236697175 1041837855 /nfs/dbraw/zinc/83/78/55/1041837855.db2.gz CWVISECQBJSXQQ-UHFFFAOYSA-N -1 3 384.071 3.828 20 0 GHADHM Cc1ccnc(O[C@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)c1 ZINC001236696880 1041838182 /nfs/dbraw/zinc/83/81/82/1041838182.db2.gz ZHYFCFRPBTVGQO-HNNXBMFYSA-N -1 3 377.282 3.902 20 0 GHADHM O=C([N-]c1nccc(Br)c1Cl)c1scnc1Br ZINC001277998813 1041841100 /nfs/dbraw/zinc/84/11/00/1041841100.db2.gz BWUWQYCIYIHFTN-UHFFFAOYSA-N -1 3 397.479 3.969 20 0 GHADHM O=C1Nc2c(cccc2F)C12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001237989179 1042446492 /nfs/dbraw/zinc/44/64/92/1042446492.db2.gz JCVQEIQFZIRXQR-UHFFFAOYSA-N -1 3 378.806 3.810 20 0 GHADHM Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Br ZINC001237993814 1042448375 /nfs/dbraw/zinc/44/83/75/1042448375.db2.gz HQKMTMYSBDKJFU-UHFFFAOYSA-N -1 3 377.263 3.985 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2cccc(Oc3ccccc3F)c2)c(=O)[n-]1 ZINC001278207722 1042531869 /nfs/dbraw/zinc/53/18/69/1042531869.db2.gz MYYFHPRBCCTJBE-UHFFFAOYSA-N -1 3 395.434 3.979 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc([O-])c2Br)C2(CC2)C1 ZINC001462665761 1070456286 /nfs/dbraw/zinc/45/62/86/1070456286.db2.gz YIAYEVSCWLAGSP-CQSZACIVSA-N -1 3 397.313 3.644 20 0 GHADHM COc1cccc([O-])c1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC001291911397 1043527285 /nfs/dbraw/zinc/52/72/85/1043527285.db2.gz ZMFIBTVNJZGKPT-UHFFFAOYSA-N -1 3 383.423 3.635 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC001256586108 1043554695 /nfs/dbraw/zinc/55/46/95/1043554695.db2.gz WEKJVSJMXRIQEU-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N(Cc1ccco1)CC(F)(F)F ZINC001292292584 1043669171 /nfs/dbraw/zinc/66/91/71/1043669171.db2.gz ITSVCFDBKIMXNF-UHFFFAOYSA-N -1 3 384.741 3.979 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(I)ccc2F)c1 ZINC001256954353 1043770841 /nfs/dbraw/zinc/77/08/41/1043770841.db2.gz QAMXGUXZTDTSEZ-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC001256958683 1043773164 /nfs/dbraw/zinc/77/31/64/1043773164.db2.gz PXNSFPANTGIOMV-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccs3)cc2)cc1OC ZINC001257089870 1043837656 /nfs/dbraw/zinc/83/76/56/1043837656.db2.gz QMQCLMSLVYPXPV-UHFFFAOYSA-N -1 3 392.458 3.753 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C)c2)cc1OC ZINC001257103114 1043847771 /nfs/dbraw/zinc/84/77/71/1043847771.db2.gz GGIHPUVMMLKCSR-UHFFFAOYSA-N -1 3 391.367 3.712 20 0 GHADHM COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001292862651 1043919919 /nfs/dbraw/zinc/91/99/19/1043919919.db2.gz UJCBXSDJJBKKLP-UHFFFAOYSA-N -1 3 383.425 3.526 20 0 GHADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(C[N-]S(=O)(=O)c3cc(C)ccc3C)o2)cc1 ZINC001257269018 1043949815 /nfs/dbraw/zinc/94/98/15/1043949815.db2.gz PEJQNFGPTZLCJJ-ZWKOTPCHSA-N -1 3 397.500 3.744 20 0 GHADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)cc1O ZINC001257383613 1043977412 /nfs/dbraw/zinc/97/74/12/1043977412.db2.gz BXYHQHFQAOGRMH-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CC(=O)NCc1ccc(-c2nc([N-]C(=O)c3cc(Cl)no3)sc2C)s1 ZINC001293018451 1043986979 /nfs/dbraw/zinc/98/69/79/1043986979.db2.gz ZYCKVGKVFYOVAY-UHFFFAOYSA-N 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CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)c(Cl)c1 ZINC001295002277 1044877818 /nfs/dbraw/zinc/87/78/18/1044877818.db2.gz FVCAQEUZMGWLNR-UHFFFAOYSA-N -1 3 377.224 3.756 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1F ZINC001258927406 1044884832 /nfs/dbraw/zinc/88/48/32/1044884832.db2.gz XEXATZJPPHWQPX-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1nnc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)[n-]1 ZINC001295097528 1044914322 /nfs/dbraw/zinc/91/43/22/1044914322.db2.gz HNEZHRCWABXLLW-UHFFFAOYSA-N -1 3 398.419 3.998 20 0 GHADHM COc1nc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n[n-]1 ZINC001295097528 1044914325 /nfs/dbraw/zinc/91/43/25/1044914325.db2.gz HNEZHRCWABXLLW-UHFFFAOYSA-N -1 3 398.419 3.998 20 0 GHADHM COc1n[n-]c(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1 ZINC001295097528 1044914326 /nfs/dbraw/zinc/91/43/26/1044914326.db2.gz HNEZHRCWABXLLW-UHFFFAOYSA-N -1 3 398.419 3.998 20 0 GHADHM Cc1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc2scnc21 ZINC001258974088 1044914381 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GHADHM O=S(=O)([N-][C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(Br)s1 ZINC001259062738 1044943957 /nfs/dbraw/zinc/94/39/57/1044943957.db2.gz DJTFVCPWYNHZIF-ZKCHVHJHSA-N -1 3 392.262 3.910 20 0 GHADHM COc1cccc(C(F)(F)F)c1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081476 1044951927 /nfs/dbraw/zinc/95/19/27/1044951927.db2.gz XPGGXWOMZPLUJE-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(F)c2)cc1C ZINC001259168267 1044988844 /nfs/dbraw/zinc/98/88/44/1044988844.db2.gz UPZUHNWBDVOWKW-UHFFFAOYSA-N -1 3 379.453 3.801 20 0 GHADHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[O-])OCO2 ZINC001295418853 1045005220 /nfs/dbraw/zinc/00/52/20/1045005220.db2.gz HFYTUEIUHCEXGI-UHFFFAOYSA-N -1 3 375.793 3.545 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1N1CCCCC1=O ZINC001259253701 1045045797 /nfs/dbraw/zinc/04/57/97/1045045797.db2.gz KXOWNKDHCVJWND-UHFFFAOYSA-N -1 3 376.453 3.593 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)OC)cc2)cc1 ZINC001259323297 1045077940 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O=S(=O)([N-]c1ccc(Oc2nccs2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369759 1045104744 /nfs/dbraw/zinc/10/47/44/1045104744.db2.gz SDTNSJDSJHXLJA-UHFFFAOYSA-N -1 3 398.469 3.922 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)c(F)cc3F)cc2o1 ZINC001259383919 1045112875 /nfs/dbraw/zinc/11/28/75/1045112875.db2.gz FVOOKQYXUFVCRH-UHFFFAOYSA-N -1 3 394.277 3.631 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Br)cnc2F)cc1 ZINC001259401695 1045125694 /nfs/dbraw/zinc/12/56/94/1045125694.db2.gz AILKXQXCGVVYAU-UHFFFAOYSA-N -1 3 389.246 3.571 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)cc3)cc2F)cn1 ZINC001259431994 1045150294 /nfs/dbraw/zinc/15/02/94/1045150294.db2.gz ISSIKCIBCBPCDP-UHFFFAOYSA-N -1 3 397.378 3.722 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(c3ccncc3)CC3(CCC3)C2)c([O-])c1 ZINC001295837527 1045161867 /nfs/dbraw/zinc/16/18/67/1045161867.db2.gz ZZUAGYMDECEHFN-UHFFFAOYSA-N -1 3 380.444 3.805 20 0 GHADHM CSc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259472338 1045184827 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GHADHM O=S(=O)([N-]CC1(Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1F ZINC001259515173 1045216133 /nfs/dbraw/zinc/21/61/33/1045216133.db2.gz VAVIUZZUKDEEMI-UHFFFAOYSA-N -1 3 397.899 3.797 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)c1 ZINC001259517001 1045217822 /nfs/dbraw/zinc/21/78/22/1045217822.db2.gz GMJOYGLIIRQXKE-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)ccc1F ZINC001259543645 1045227646 /nfs/dbraw/zinc/22/76/46/1045227646.db2.gz WXVQKVBYFQNMKI-UHFFFAOYSA-N -1 3 391.468 3.953 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1 ZINC001259717571 1045274092 /nfs/dbraw/zinc/27/40/92/1045274092.db2.gz XORLYJBFWCJADG-UHFFFAOYSA-N -1 3 379.457 3.809 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)C1CCCCCC1 ZINC001296193264 1045279067 /nfs/dbraw/zinc/27/90/67/1045279067.db2.gz MGHYTUJWFMWKMF-OAHLLOKOSA-N -1 3 382.508 3.548 20 0 GHADHM COC(=O)[C@H]1CCCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001296222655 1045283281 /nfs/dbraw/zinc/28/32/81/1045283281.db2.gz LJNUPXCXBDDGBM-HXUWFJFHSA-N -1 3 381.472 3.735 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[O-] ZINC001296724676 1045362879 /nfs/dbraw/zinc/36/28/79/1045362879.db2.gz IJWXTUAGJCOKMU-UHFFFAOYSA-N -1 3 387.848 3.943 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c(Cl)c1 ZINC001260134573 1045391012 /nfs/dbraw/zinc/39/10/12/1045391012.db2.gz WUQKBKPMKRSCNJ-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c(F)c1 ZINC001260255521 1045430343 /nfs/dbraw/zinc/43/03/43/1045430343.db2.gz KEGBZUXVJLVNNW-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c(Br)c1 ZINC001260297218 1045449854 /nfs/dbraw/zinc/44/98/54/1045449854.db2.gz UMGSTRGNOPITCE-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260446185 1045497094 /nfs/dbraw/zinc/49/70/94/1045497094.db2.gz MJXXUNKRDLJQLZ-UHFFFAOYSA-N -1 3 399.346 3.801 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)s1)c1cscn1 ZINC001260492356 1045514838 /nfs/dbraw/zinc/51/48/38/1045514838.db2.gz DPERQESATQRSDS-YFKPBYRVSA-N -1 3 387.733 3.660 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cnnc(Cl)c2Cl)cc1 ZINC001260573740 1045560816 /nfs/dbraw/zinc/56/08/16/1045560816.db2.gz ROJQTAZRDHBODU-UHFFFAOYSA-N -1 3 376.265 3.763 20 0 GHADHM Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609628 1045587358 /nfs/dbraw/zinc/58/73/58/1045587358.db2.gz IPSZIKDHTOVJNX-KGLIPLIRSA-N -1 3 393.443 3.749 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC001260649926 1045591043 /nfs/dbraw/zinc/59/10/43/1045591043.db2.gz MGIOOXRJMRCNRO-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001260712657 1045619353 /nfs/dbraw/zinc/61/93/53/1045619353.db2.gz RRJRPWHEHWNUDC-UHFFFAOYSA-N -1 3 391.489 3.616 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001260779676 1045658580 /nfs/dbraw/zinc/65/85/80/1045658580.db2.gz KIUOLODFVCGPAE-UHFFFAOYSA-N -1 3 396.774 3.577 20 0 GHADHM CCc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)ccn1 ZINC001260941178 1045779926 /nfs/dbraw/zinc/77/99/26/1045779926.db2.gz YQFJMRDBKIMXJI-UHFFFAOYSA-N -1 3 398.328 3.904 20 0 GHADHM COC(=O)CCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC001260982069 1045796376 /nfs/dbraw/zinc/79/63/76/1045796376.db2.gz FAHZPUIDYKQOJH-UHFFFAOYSA-N -1 3 387.501 3.862 20 0 GHADHM Cc1cccc(C2(C[N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)n1 ZINC001261013475 1045833758 /nfs/dbraw/zinc/83/37/58/1045833758.db2.gz CAUZNAAMLRUTKC-UHFFFAOYSA-N -1 3 388.386 3.558 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261012739 1045834068 /nfs/dbraw/zinc/83/40/68/1045834068.db2.gz VDXBIKMPXHCKIP-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM Cc1ccccc1OC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261012809 1045834279 /nfs/dbraw/zinc/83/42/79/1045834279.db2.gz WTPZPYPYLVTJNN-LBPRGKRZSA-N -1 3 391.386 3.899 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)C(F)(F)F)ccc1Br ZINC001261051139 1045872975 /nfs/dbraw/zinc/87/29/75/1045872975.db2.gz DUTYMNDJYPMONE-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c(F)c1 ZINC001261066291 1045884641 /nfs/dbraw/zinc/88/46/41/1045884641.db2.gz PPPUUPMMGHYVCD-VIFPVBQESA-N -1 3 391.873 3.675 20 0 GHADHM CN(C(=O)c1cc([O-])cc(Br)c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC001298602904 1045889056 /nfs/dbraw/zinc/88/90/56/1045889056.db2.gz SOSUWRIHWMQWFW-INIZCTEOSA-N -1 3 386.249 3.739 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1cnc(OCC2CC2)nc1 ZINC001261076911 1045890252 /nfs/dbraw/zinc/89/02/52/1045890252.db2.gz DURWVFBXXIIFNG-UHFFFAOYSA-N -1 3 388.276 3.514 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cnc1Cl ZINC001261077096 1045892327 /nfs/dbraw/zinc/89/23/27/1045892327.db2.gz KMNRANKMWJQHGP-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001298995508 1045995567 /nfs/dbraw/zinc/99/55/67/1045995567.db2.gz QDGTUCTYJLYDJJ-GDBMZVCRSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001298995508 1045995569 /nfs/dbraw/zinc/99/55/69/1045995569.db2.gz QDGTUCTYJLYDJJ-GDBMZVCRSA-N -1 3 385.830 3.715 20 0 GHADHM CCOC(=O)C1=CC[C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001300804083 1046173267 /nfs/dbraw/zinc/17/32/67/1046173267.db2.gz FRXAKGJOVGPYFD-IBGZPJMESA-N -1 3 379.456 3.559 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC001463048789 1070756011 /nfs/dbraw/zinc/75/60/11/1070756011.db2.gz LQJGKGHJAHCHDT-BBRMVZONSA-N -1 3 396.534 3.522 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c(Cl)c1 ZINC001262613417 1046281329 /nfs/dbraw/zinc/28/13/29/1046281329.db2.gz GBYKOVTYBBBSOE-CYBMUJFWSA-N -1 3 398.834 3.562 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)c(C)c1Cl ZINC001463121796 1070819447 /nfs/dbraw/zinc/81/94/47/1070819447.db2.gz AUKTYOJVPBMKQM-IUCAKERBSA-N -1 3 379.931 3.600 20 0 GHADHM COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001302067279 1046800241 /nfs/dbraw/zinc/80/02/41/1046800241.db2.gz DSWFXSPCMLLKIS-LSDHHAIUSA-N -1 3 396.830 3.710 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC)Cc2cn(C)c3ccccc23)c1 ZINC001302139528 1046835779 /nfs/dbraw/zinc/83/57/79/1046835779.db2.gz OFPPQZHVFJPOQP-MRXNPFEDSA-N -1 3 391.471 3.760 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccn(C(C)C)c1C ZINC001302294438 1046902756 /nfs/dbraw/zinc/90/27/56/1046902756.db2.gz VMFYAJZYPGEXHN-UHFFFAOYSA-N -1 3 395.463 3.922 20 0 GHADHM CCCOc1ccccc1C(=O)C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001302590547 1046993331 /nfs/dbraw/zinc/99/33/31/1046993331.db2.gz SJWHQVBAVCHEGA-UHFFFAOYSA-N -1 3 383.341 3.845 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000843887659 1047174082 /nfs/dbraw/zinc/17/40/82/1047174082.db2.gz YTLMDWZLTXREIL-UONOGXRCSA-N -1 3 376.453 3.617 20 0 GHADHM O=C(c1ncc2ccccc2c1[O-])N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001304048444 1047572750 /nfs/dbraw/zinc/57/27/50/1047572750.db2.gz AZOKINGYYOFYBP-UHFFFAOYSA-N -1 3 390.365 3.702 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c(C)cc1Br ZINC001304130527 1047595273 /nfs/dbraw/zinc/59/52/73/1047595273.db2.gz ALRKIQGYIATIDD-QMMMGPOBSA-N -1 3 391.191 3.694 20 0 GHADHM COC(=O)c1cc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c([O-])c(OC)c1 ZINC001304504888 1047694970 /nfs/dbraw/zinc/69/49/70/1047694970.db2.gz IKYJJXHAOAAYGM-FRFSOERESA-N -1 3 393.480 3.603 20 0 GHADHM O=C(CC=Cc1ccc(F)cc1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304565605 1047714711 /nfs/dbraw/zinc/71/47/11/1047714711.db2.gz KGDSFKJIURWLDU-QPJJXVBHSA-N -1 3 379.391 3.948 20 0 GHADHM O=C(CC=Cc1ccc(F)cc1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304565605 1047714714 /nfs/dbraw/zinc/71/47/14/1047714714.db2.gz KGDSFKJIURWLDU-QPJJXVBHSA-N -1 3 379.391 3.948 20 0 GHADHM O=C(c1ccc(Cl)c([O-])c1)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001279228108 1047745029 /nfs/dbraw/zinc/74/50/29/1047745029.db2.gz NEZHXXMJHUUNPW-BETUJISGSA-N -1 3 376.806 3.677 20 0 GHADHM O=c1cccc(CN2C[C@@H]3CCN(Cc4cc(Cl)c([O-])c(Cl)c4)[C@@H]3C2)[nH]1 ZINC001279324706 1047768579 /nfs/dbraw/zinc/76/85/79/1047768579.db2.gz KUWGESLQQIFMSG-SUMWQHHRSA-N -1 3 394.302 3.506 20 0 GHADHM O=C(NCc1ccc(CCO)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001304791608 1047769453 /nfs/dbraw/zinc/76/94/53/1047769453.db2.gz UILSPMBHPIKXPE-UHFFFAOYSA-N -1 3 375.468 3.642 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304814168 1047779987 /nfs/dbraw/zinc/77/99/87/1047779987.db2.gz JXCWZYPAHSTACY-QAQDUYKDSA-N -1 3 392.459 3.612 20 0 GHADHM CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001304827481 1047783995 /nfs/dbraw/zinc/78/39/95/1047783995.db2.gz TVEOFLNBZCDHDP-UHFFFAOYSA-N -1 3 375.350 3.669 20 0 GHADHM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC2(CN(Cc3occc3[S-])C2)C1 ZINC001279693550 1047919072 /nfs/dbraw/zinc/91/90/72/1047919072.db2.gz XTOKYRZIMHLAAR-UHFFFAOYSA-N -1 3 387.892 3.661 20 0 GHADHM O=C(NCc1cccc(OC(F)(F)F)c1)c1cc([O-])cc(Br)c1 ZINC001305613207 1048184699 /nfs/dbraw/zinc/18/46/99/1048184699.db2.gz QVFQNFPRYIRTNG-UHFFFAOYSA-N -1 3 390.155 3.983 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)OCc3ccccc3C)nc21 ZINC001463313324 1070981173 /nfs/dbraw/zinc/98/11/73/1070981173.db2.gz FDGUOJQNINTNMH-CQSZACIVSA-N -1 3 381.432 3.592 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001305960529 1048337627 /nfs/dbraw/zinc/33/76/27/1048337627.db2.gz IYLJLDXWTOCZRB-ZHRRBRCNSA-N -1 3 388.508 3.858 20 0 GHADHM CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001306706964 1048836286 /nfs/dbraw/zinc/83/62/86/1048836286.db2.gz VEPHKGMMNSVCHV-WCQYABFASA-N -1 3 391.472 3.641 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cc(Cl)cc(Cl)c1F ZINC001306892289 1048947745 /nfs/dbraw/zinc/94/77/45/1048947745.db2.gz CDVHEYRKFPHGQE-SSDOTTSWSA-N -1 3 381.190 3.507 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC001306894728 1048948889 /nfs/dbraw/zinc/94/88/89/1048948889.db2.gz WMKHXDFECMSOKH-CZUORRHYSA-N -1 3 375.387 3.801 20 0 GHADHM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001307621222 1049456334 /nfs/dbraw/zinc/45/63/34/1049456334.db2.gz HUYCHSLVPWBLHJ-CVEARBPZSA-N -1 3 398.507 3.679 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)c3cc(C)oc3C)[n-]c2c(Br)c1 ZINC001289667511 1049582208 /nfs/dbraw/zinc/58/22/08/1049582208.db2.gz FGBMPUHLOSQDDJ-UHFFFAOYSA-N -1 3 392.209 3.574 20 0 GHADHM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001290673909 1049898111 /nfs/dbraw/zinc/89/81/11/1049898111.db2.gz AMPBQPPLWNLXRQ-LLVKDONJSA-N -1 3 383.835 3.631 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(OC(F)F)cc1 ZINC001290680618 1049899975 /nfs/dbraw/zinc/89/99/75/1049899975.db2.gz OAFTYTQFBCGTIA-SECBINFHSA-N -1 3 394.324 3.899 20 0 GHADHM COC(=O)CCc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001290874801 1049942139 /nfs/dbraw/zinc/94/21/39/1049942139.db2.gz BRSRYYOGVAGLMT-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM Cn1c(CNCc2cccc([O-])c2Br)nc2cccc(Cl)c21 ZINC001308376598 1049961750 /nfs/dbraw/zinc/96/17/50/1049961750.db2.gz OVMBSVVHBMILLG-UHFFFAOYSA-N -1 3 380.673 3.985 20 0 GHADHM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC001327456315 1050185405 /nfs/dbraw/zinc/18/54/05/1050185405.db2.gz XTVPEEXSJXSVLB-KRWDZBQOSA-N -1 3 398.532 3.829 20 0 GHADHM CCN(Cc1c(Cl)nc2cc(Cl)ccn21)Cc1c([O-])c(C)ncc1CO ZINC001308949154 1050210073 /nfs/dbraw/zinc/21/00/73/1050210073.db2.gz OXFRSZVIWXHPGA-UHFFFAOYSA-N -1 3 395.290 3.565 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC001309130113 1050388165 /nfs/dbraw/zinc/38/81/65/1050388165.db2.gz IJTAOUFLUGTZML-LJQANCHMSA-N -1 3 398.532 3.666 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1ccc(Cl)c2nonc21 ZINC001309164787 1050419416 /nfs/dbraw/zinc/41/94/16/1050419416.db2.gz ZDPKAGZHQCGDMH-HNNXBMFYSA-N -1 3 377.853 3.696 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NC/C=C\c2ccc(N(C)C)cc2)c1OC ZINC000903998805 1050460521 /nfs/dbraw/zinc/46/05/21/1050460521.db2.gz YMLXUNVBFBRDOX-LIXSYLKWSA-N -1 3 384.476 3.589 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(C)(C)c1ccccc1 ZINC001309221126 1050487471 /nfs/dbraw/zinc/48/74/71/1050487471.db2.gz YHZFODQHZHEBEI-CQSZACIVSA-N -1 3 397.338 3.879 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC001309248727 1050517994 /nfs/dbraw/zinc/51/79/94/1050517994.db2.gz IMEGOWQSRLRQLO-LSDHHAIUSA-N -1 3 393.530 3.935 20 0 GHADHM Cc1ccccc1CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001309291697 1050562297 /nfs/dbraw/zinc/56/22/97/1050562297.db2.gz HIPDVWPPGZIIQU-UHFFFAOYSA-N -1 3 377.359 3.554 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(CC)c3)n2)cc1 ZINC001309307500 1050577912 /nfs/dbraw/zinc/57/79/12/1050577912.db2.gz ORINWWIHSZBQGN-AWEZNQCLSA-N -1 3 385.489 3.901 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCC1 ZINC001309309428 1050579218 /nfs/dbraw/zinc/57/92/18/1050579218.db2.gz WFUQKKWZMQHOHR-UHFFFAOYSA-N -1 3 379.931 3.745 20 0 GHADHM CC1CCC2(CC1)OC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)O2 ZINC001309355530 1050629006 /nfs/dbraw/zinc/62/90/06/1050629006.db2.gz XFSCJRGLUNBTEG-BWBHSNQOSA-N -1 3 394.320 3.594 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)s1 ZINC001309386630 1050667207 /nfs/dbraw/zinc/66/72/07/1050667207.db2.gz DIGGKXAQOFXHDK-NSHDSACASA-N -1 3 393.559 3.965 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[Si](C)(C)c2ccccc2)c1Cl ZINC001309429291 1050713279 /nfs/dbraw/zinc/71/32/79/1050713279.db2.gz LBVRZDHDBAAGQD-UHFFFAOYSA-N -1 3 388.392 3.735 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)c(-c2ccccc2)s1 ZINC001309518117 1050778807 /nfs/dbraw/zinc/77/88/07/1050778807.db2.gz GQLGFHVZJNBBPW-SJORKVTESA-N -1 3 396.578 3.686 20 0 GHADHM COc1ccc(/C=C/c2ccc(OS(=O)(=O)c3c(C)n[n-]c3C)cc2)cc1 ZINC001309540747 1050795767 /nfs/dbraw/zinc/79/57/67/1050795767.db2.gz QOBKYYFUUGPMGA-SNAWJCMRSA-N -1 3 384.457 3.973 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C)s1 ZINC001309652513 1050899248 /nfs/dbraw/zinc/89/92/48/1050899248.db2.gz DSKUOCXHPNOZCO-GXTWGEPZSA-N -1 3 386.336 3.962 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc3nc(Cl)ccc3s2)C[C@@]1(F)Cl ZINC001309655333 1050901071 /nfs/dbraw/zinc/90/10/71/1050901071.db2.gz SJFPLEIZUYXGQW-OLZOCXBDSA-N -1 3 383.297 3.933 20 0 GHADHM COc1ccc(C[C@H](C)N(C)C(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001329784487 1050905625 /nfs/dbraw/zinc/90/56/25/1050905625.db2.gz MBHBGORQQMJVNU-LBPRGKRZSA-N -1 3 378.266 3.867 20 0 GHADHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2c(C)cccc2Cl)on1 ZINC001309719937 1050937726 /nfs/dbraw/zinc/93/77/26/1050937726.db2.gz HLDNROZCFUJXMW-UHFFFAOYSA-N -1 3 392.864 3.791 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c(F)c1 ZINC001309732556 1050944302 /nfs/dbraw/zinc/94/43/02/1050944302.db2.gz INTUWUHLBGNZPS-MRXNPFEDSA-N -1 3 397.855 3.622 20 0 GHADHM O=S(=O)([N-]CC1(CC2CC2)CC1)c1c(Cl)cccc1Br ZINC001309808374 1050983120 /nfs/dbraw/zinc/98/31/20/1050983120.db2.gz CXLJCDQFFMGAIG-UHFFFAOYSA-N -1 3 378.719 3.961 20 0 GHADHM CC(C)n1cnc2ccc(C[N-]S(=O)(=O)c3cc(Cl)cnc3Cl)cc21 ZINC001309813890 1050985890 /nfs/dbraw/zinc/98/58/90/1050985890.db2.gz BPBZBKGLHDKHOM-UHFFFAOYSA-N -1 3 399.303 3.798 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)CCS1 ZINC001309899578 1051031846 /nfs/dbraw/zinc/03/18/46/1051031846.db2.gz ZJAWAEDELOSZBY-VIFPVBQESA-N -1 3 382.320 3.541 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCCC(C)(C)C2)cc1OC ZINC001310175503 1051207638 /nfs/dbraw/zinc/20/76/38/1051207638.db2.gz FKVZVOXQCMYKBW-CQSZACIVSA-N -1 3 397.541 3.795 20 0 GHADHM COc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c(Cl)c1 ZINC001332419273 1051517258 /nfs/dbraw/zinc/51/72/58/1051517258.db2.gz BQOLOQUAPZLGHG-CVEARBPZSA-N -1 3 381.806 3.927 20 0 GHADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001335876805 1052195936 /nfs/dbraw/zinc/19/59/36/1052195936.db2.gz JWAKQRULPGVYSB-LBPRGKRZSA-N -1 3 398.834 3.515 20 0 GHADHM CNC(=O)Cc1ccccc1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001337049744 1052385389 /nfs/dbraw/zinc/38/53/89/1052385389.db2.gz HUUBXNJOTARAGO-UHFFFAOYSA-N -1 3 388.467 3.718 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2ncoc2[C@H]2CCCO2)nc1C1CCCC1 ZINC001342344586 1053119693 /nfs/dbraw/zinc/11/96/93/1053119693.db2.gz FNGNEHRRKICWFG-LLVKDONJSA-N -1 3 391.449 3.679 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccc(F)cc1C ZINC001342563632 1053240642 /nfs/dbraw/zinc/24/06/42/1053240642.db2.gz UUUPMTLUXZMVIM-QGZVFWFLSA-N -1 3 382.443 3.558 20 0 GHADHM CCc1cc2c(CN3Cc4ccc(O)cc4C4(CC4)C3)cc(=O)oc2cc1[O-] ZINC001343647172 1053946523 /nfs/dbraw/zinc/94/65/23/1053946523.db2.gz MWXVLGLIUSLKCM-UHFFFAOYSA-N -1 3 377.440 3.814 20 0 GHADHM COc1ccc(-c2cc(NC(=O)CCc3c(C)nc[n-]c3=O)ccc2OC)cc1 ZINC001317860015 1054282075 /nfs/dbraw/zinc/28/20/75/1054282075.db2.gz LIAVXDOMFFTKLK-UHFFFAOYSA-N -1 3 393.443 3.746 20 0 GHADHM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC001344474580 1054504303 /nfs/dbraw/zinc/50/43/03/1054504303.db2.gz XKYKMHRHOUOCKE-GAJHUEQPSA-N -1 3 398.478 3.555 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001318215869 1054506039 /nfs/dbraw/zinc/50/60/39/1054506039.db2.gz JFWYFAJYNHVZNR-UHFFFAOYSA-N -1 3 384.823 3.903 20 0 GHADHM Cc1noc(C)c1[N-]C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001318228505 1054513206 /nfs/dbraw/zinc/51/32/06/1054513206.db2.gz OTGOYZOBWDKEAH-UHFFFAOYSA-N -1 3 379.189 3.631 20 0 GHADHM COc1cccc2cc(C[N-]S(=O)(=O)c3ccc(Cl)nc3Cl)oc21 ZINC001318233395 1054514947 /nfs/dbraw/zinc/51/49/47/1054514947.db2.gz STQZMJDJBZZRIG-UHFFFAOYSA-N -1 3 387.244 3.622 20 0 GHADHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])n1 ZINC001319712298 1055417366 /nfs/dbraw/zinc/41/73/66/1055417366.db2.gz QRKQNXIYFMYNEV-CQSZACIVSA-N -1 3 390.281 3.575 20 0 GHADHM CC[C@@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C1CCC(C)CC1 ZINC001321141179 1056115987 /nfs/dbraw/zinc/11/59/87/1056115987.db2.gz YJLZBIGEKOLIBJ-YMAMQOFZSA-N -1 3 384.517 3.666 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC001321834659 1056414458 /nfs/dbraw/zinc/41/44/58/1056414458.db2.gz QSMFLBPSLUZQKE-OAQYLSRUSA-N -1 3 375.472 3.914 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C)CC2)c(Cl)cc1Cl ZINC001322989329 1056903891 /nfs/dbraw/zinc/90/38/91/1056903891.db2.gz UREKENJIGRIQEG-JTQLQIEISA-N -1 3 393.336 3.743 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC3(C)CC=CC3)c2)c1 ZINC000848268612 1056958240 /nfs/dbraw/zinc/95/82/40/1056958240.db2.gz BINZDPFYCGFTIU-UHFFFAOYSA-N -1 3 396.443 3.500 20 0 GHADHM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000848364302 1057046113 /nfs/dbraw/zinc/04/61/13/1057046113.db2.gz NCHBJFRERVZFSQ-IBGZPJMESA-N -1 3 392.455 3.623 20 0 GHADHM COC(=O)c1c([N-]C(=O)c2cc(-c3cccc(OC)c3)no2)sc2c1CCC2 ZINC001355336484 1057123403 /nfs/dbraw/zinc/12/34/03/1057123403.db2.gz VJFDSFYHGHZPND-UHFFFAOYSA-N -1 3 398.440 3.939 20 0 GHADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC001324498723 1057149784 /nfs/dbraw/zinc/14/97/84/1057149784.db2.gz VTOPCMWAAREZRJ-UHFFFAOYSA-N -1 3 399.847 3.732 20 0 GHADHM CCCC[C@@H](CC)CNC(=S)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848654482 1057224788 /nfs/dbraw/zinc/22/47/88/1057224788.db2.gz STMCMCCXVKBYEW-MGPQQGTHSA-N -1 3 381.508 3.609 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC001325299931 1057308282 /nfs/dbraw/zinc/30/82/82/1057308282.db2.gz DTGMTRSUDKECQI-LBPRGKRZSA-N -1 3 395.695 3.708 20 0 GHADHM Cc1ncc(Br)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)n1 ZINC001325686138 1057352899 /nfs/dbraw/zinc/35/28/99/1057352899.db2.gz PPVIHFYKGGDYRI-UHFFFAOYSA-N -1 3 396.314 3.774 20 0 GHADHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)n1 ZINC001356200990 1057426698 /nfs/dbraw/zinc/42/66/98/1057426698.db2.gz FXVFMSKAFOGNDA-UHFFFAOYSA-N -1 3 387.371 3.729 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](c2nccn2C)c2ccccc2F)c1 ZINC001356221857 1057436282 /nfs/dbraw/zinc/43/62/82/1057436282.db2.gz CPPSTAFUGFYCGE-QGZVFWFLSA-N -1 3 389.377 3.565 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nnc(CC(C)(C)C)o1 ZINC001326237407 1057440289 /nfs/dbraw/zinc/44/02/89/1057440289.db2.gz FWCIYIZKROYFKK-HNNXBMFYSA-N -1 3 397.566 3.739 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCC1(CC(=O)[O-])CC1 ZINC001326298074 1057451535 /nfs/dbraw/zinc/45/15/35/1057451535.db2.gz RISGZUAVQWRJCJ-UHFFFAOYSA-N -1 3 382.291 3.891 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(CNc2ncnc3[nH]ccc32)cc1 ZINC000474786363 1057550819 /nfs/dbraw/zinc/55/08/19/1057550819.db2.gz RDRUVJPZTJGADL-UHFFFAOYSA-N -1 3 397.435 3.510 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC001326884463 1057569583 /nfs/dbraw/zinc/56/95/83/1057569583.db2.gz UXBIHGWCWDECTP-UHFFFAOYSA-N -1 3 388.880 3.517 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3C[C@@H]4[C@H](C3)C4(F)F)s2)cs1 ZINC001327055247 1057590111 /nfs/dbraw/zinc/59/01/11/1057590111.db2.gz GEFPCHOBORQYDU-ILWJIGKKSA-N -1 3 376.475 3.502 20 0 GHADHM CCOC(=O)c1oc([N-]CC(=O)Nc2c(C)cccc2C)nc1C(F)(F)F ZINC001337774699 1058257711 /nfs/dbraw/zinc/25/77/11/1058257711.db2.gz PLFPDFHENCBBDW-UHFFFAOYSA-N -1 3 385.342 3.538 20 0 GHADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001441183875 1058719944 /nfs/dbraw/zinc/71/99/44/1058719944.db2.gz BPBDWPDEVPTOIA-OAHLLOKOSA-N -1 3 390.386 3.912 20 0 GHADHM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001441342091 1058754546 /nfs/dbraw/zinc/75/45/46/1058754546.db2.gz KLRGTENEQZDDTB-JTQLQIEISA-N -1 3 387.274 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC001442516163 1058970291 /nfs/dbraw/zinc/97/02/91/1058970291.db2.gz AQUWSRYPKJNHIV-DLBZAZTESA-N -1 3 396.528 3.768 20 0 GHADHM Cc1c(C(=O)[N-]c2cnoc2C(C)C)nnn1-c1ccc(OC(F)F)cc1 ZINC001339146984 1058982228 /nfs/dbraw/zinc/98/22/28/1058982228.db2.gz BKLDJCLIOSHWKX-UHFFFAOYSA-N -1 3 377.351 3.541 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(F)c(I)c(F)c2)c1[O-] ZINC001442955623 1059033875 /nfs/dbraw/zinc/03/38/75/1059033875.db2.gz XFQZIHGCGRDYFL-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM CCN(C(=O)c1cnncc1[O-])[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001443603779 1059158682 /nfs/dbraw/zinc/15/86/82/1059158682.db2.gz LTDMCONWGBOFEZ-NRFANRHFSA-N -1 3 376.460 3.952 20 0 GHADHM C/C(=C/c1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001443640644 1059166803 /nfs/dbraw/zinc/16/68/03/1059166803.db2.gz LNTVBXWMUJTVJF-LUAWRHEFSA-N -1 3 399.394 3.514 20 0 GHADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)on1 ZINC001445629785 1059582750 /nfs/dbraw/zinc/58/27/50/1059582750.db2.gz MLHGKIPLMXDGSL-UHFFFAOYSA-N -1 3 391.383 3.836 20 0 GHADHM CCCOc1ccc2c(c1)CCN(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC001545991751 1059920013 /nfs/dbraw/zinc/92/00/13/1059920013.db2.gz YTBKWGWHUIFTSW-UHFFFAOYSA-N -1 3 398.409 3.794 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)c([O-])c1 ZINC001447059977 1059923991 /nfs/dbraw/zinc/92/39/91/1059923991.db2.gz HVBMSGYHAGQDIH-UHFFFAOYSA-N -1 3 394.214 3.776 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)[n-]n1 ZINC001447174806 1059934670 /nfs/dbraw/zinc/93/46/70/1059934670.db2.gz LSBPCDVLHHBMLH-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)n[n-]1 ZINC001447174806 1059934678 /nfs/dbraw/zinc/93/46/78/1059934678.db2.gz LSBPCDVLHHBMLH-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc(SC)ccc1[O-] ZINC001447431965 1059963361 /nfs/dbraw/zinc/96/33/61/1059963361.db2.gz CBTKJEUGMXOTPJ-DNVCBOLYSA-N -1 3 399.512 3.896 20 0 GHADHM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC001447571769 1059983606 /nfs/dbraw/zinc/98/36/06/1059983606.db2.gz MJPHNOKJBINSPZ-CQSZACIVSA-N -1 3 394.537 3.976 20 0 GHADHM O=C(NC[C@@H](O)CCc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001447631519 1059991431 /nfs/dbraw/zinc/99/14/31/1059991431.db2.gz NQZUHHGVARFFKX-NRFANRHFSA-N -1 3 375.468 3.707 20 0 GHADHM C[C@H](O)c1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccc1F ZINC001449170293 1060345043 /nfs/dbraw/zinc/34/50/43/1060345043.db2.gz SIENZJZISDVBFQ-VIFPVBQESA-N -1 3 381.429 3.935 20 0 GHADHM O=C(Nc1cccc2cc(Br)cnc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC001449309926 1060377477 /nfs/dbraw/zinc/37/74/77/1060377477.db2.gz KNYVWWSAVMRHCX-UHFFFAOYSA-N -1 3 385.221 3.623 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc1[O-] ZINC001449407910 1060398604 /nfs/dbraw/zinc/39/86/04/1060398604.db2.gz UCNNGLYQRHSHAV-UHFFFAOYSA-N -1 3 386.879 3.909 20 0 GHADHM COc1ccc(COCC(=O)Nc2c([O-])ccc(Br)c2C)cc1 ZINC001450229926 1060556723 /nfs/dbraw/zinc/55/67/23/1060556723.db2.gz KQUBEQYMJCRNPY-UHFFFAOYSA-N -1 3 380.238 3.627 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC001450552978 1060622020 /nfs/dbraw/zinc/62/20/20/1060622020.db2.gz WOPKVEQATRBNCP-CYBMUJFWSA-N -1 3 382.526 3.927 20 0 GHADHM CC1(C)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)Cc2ccccc2O1 ZINC001450644000 1060641563 /nfs/dbraw/zinc/64/15/63/1060641563.db2.gz CAFWRNDBGBNIDT-UHFFFAOYSA-N -1 3 384.382 3.620 20 0 GHADHM COc1ccc2c(c1)N(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)CCCC2 ZINC001452005520 1060882307 /nfs/dbraw/zinc/88/23/07/1060882307.db2.gz VVCLKUYVGCGVKD-UHFFFAOYSA-N -1 3 384.382 3.798 20 0 GHADHM O=C(c1ccc(-c2cccs2)s1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001342193079 1061120671 /nfs/dbraw/zinc/12/06/71/1061120671.db2.gz LLARWSYWHKVRAW-UHFFFAOYSA-N -1 3 398.509 3.780 20 0 GHADHM Clc1nnc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2CC2CC2)[n-]1 ZINC001346507928 1061631253 /nfs/dbraw/zinc/63/12/53/1061631253.db2.gz XFERWQXLLMCDAA-GFCCVEGCSA-N -1 3 375.889 3.530 20 0 GHADHM Clc1nc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2CC2CC2)n[n-]1 ZINC001346507928 1061631266 /nfs/dbraw/zinc/63/12/66/1061631266.db2.gz XFERWQXLLMCDAA-GFCCVEGCSA-N -1 3 375.889 3.530 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC001454412985 1061771395 /nfs/dbraw/zinc/77/13/95/1061771395.db2.gz NYPNFKIIABBWCM-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC001454412985 1061771411 /nfs/dbraw/zinc/77/14/11/1061771411.db2.gz NYPNFKIIABBWCM-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001346735577 1061837488 /nfs/dbraw/zinc/83/74/88/1061837488.db2.gz NDNKRQBVILLFKT-IBGZPJMESA-N -1 3 375.419 3.512 20 0 GHADHM O=C(Nc1cccc(CN=S2(=O)CCCC2)c1)c1c[n-]c2ccccc2c1=O ZINC001455048040 1061987586 /nfs/dbraw/zinc/98/75/86/1061987586.db2.gz NZNXKTFRDIMXNO-UHFFFAOYSA-N -1 3 395.484 3.542 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(Cc2ccccc2)c1Br ZINC001545835656 1062033013 /nfs/dbraw/zinc/03/30/13/1062033013.db2.gz IKNXXMRGDYLLNT-UHFFFAOYSA-N -1 3 390.212 3.791 20 0 GHADHM C[C@H](CO[N-]C(=O)CCCc1ccc2c(c1)CCCC2)NC(=O)OC(C)(C)C ZINC001545858663 1062044974 /nfs/dbraw/zinc/04/49/74/1062044974.db2.gz VFTCVABBZLZALR-MRXNPFEDSA-N -1 3 390.524 3.849 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCc1ccc(F)c2c1CCCC2)NC(=O)OC(C)(C)C ZINC001545858457 1062045258 /nfs/dbraw/zinc/04/52/58/1062045258.db2.gz QLNIWGIBRIPGEW-AWEZNQCLSA-N -1 3 394.487 3.598 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c[n-]c2ccccc2c1=O ZINC001434880845 1062073306 /nfs/dbraw/zinc/07/33/06/1062073306.db2.gz FOMHPYZYGPRGTF-AWEZNQCLSA-N -1 3 398.846 3.992 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1 ZINC001347161410 1062176282 /nfs/dbraw/zinc/17/62/82/1062176282.db2.gz QFAGADNTKJDBND-JCNLHEQBSA-N -1 3 380.444 3.544 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001455670411 1062254070 /nfs/dbraw/zinc/25/40/70/1062254070.db2.gz DYZCMHQVXZWHSQ-CRAIPNDOSA-N -1 3 375.513 3.832 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)o1 ZINC001456246742 1062575154 /nfs/dbraw/zinc/57/51/54/1062575154.db2.gz GJRMWHXMJIBERN-ALCCZGGFSA-N -1 3 383.429 3.853 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C[C@@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC001347891942 1062759967 /nfs/dbraw/zinc/75/99/67/1062759967.db2.gz JEBZNUMFCJZISX-MRXNPFEDSA-N -1 3 396.535 3.893 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(Cl)c3cccnc23)c([O-])c(OC)c1 ZINC001456750697 1062839787 /nfs/dbraw/zinc/83/97/87/1062839787.db2.gz YQNYYALELUUCJE-UHFFFAOYSA-N -1 3 386.791 3.641 20 0 GHADHM CC(C)(Nc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456795956 1062858444 /nfs/dbraw/zinc/85/84/44/1062858444.db2.gz DYMSFNNXKZYTRR-UHFFFAOYSA-N -1 3 378.432 3.596 20 0 GHADHM CC(C)(Nc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456795956 1062858485 /nfs/dbraw/zinc/85/84/85/1062858485.db2.gz DYMSFNNXKZYTRR-UHFFFAOYSA-N -1 3 378.432 3.596 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C2CCc3ccccc3CC2)[n-]n1 ZINC001456795141 1062858610 /nfs/dbraw/zinc/85/86/10/1062858610.db2.gz CZVRMHYBNCPINK-UHFFFAOYSA-N -1 3 389.455 3.900 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C2CCc3ccccc3CC2)n[n-]1 ZINC001456795141 1062858647 /nfs/dbraw/zinc/85/86/47/1062858647.db2.gz CZVRMHYBNCPINK-UHFFFAOYSA-N -1 3 389.455 3.900 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456936287 1062923707 /nfs/dbraw/zinc/92/37/07/1062923707.db2.gz NCDXDEUSMQKEBK-ZKXLYKBJSA-N -1 3 375.513 3.699 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([O-])c3ccccc3c1)C2 ZINC001457060711 1062965412 /nfs/dbraw/zinc/96/54/12/1062965412.db2.gz IVYTYFBKBWZDSH-NJAFHUGGSA-N -1 3 382.460 3.816 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)c(C(=O)OCC)[n-]1 ZINC001435886842 1062981777 /nfs/dbraw/zinc/98/17/77/1062981777.db2.gz LMEKELMJISAPBB-INIZCTEOSA-N -1 3 385.464 3.570 20 0 GHADHM CCCCc1nc(NC(=O)C[C@H]2CCC3(CCC3)CO2)c(C(=O)OCC)[n-]1 ZINC001435888057 1062983242 /nfs/dbraw/zinc/98/32/42/1062983242.db2.gz WUFCXKLSQLBSBD-CQSZACIVSA-N -1 3 377.485 3.607 20 0 GHADHM CCc1cccc(C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001457189946 1063006044 /nfs/dbraw/zinc/00/60/44/1063006044.db2.gz ZKDLEFVOUILIOT-UHFFFAOYSA-N -1 3 376.497 3.816 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2nc3c(s2)CCCC3=O)s1 ZINC001457372507 1063120712 /nfs/dbraw/zinc/12/07/12/1063120712.db2.gz ANBDSHCDAFFAKX-UHFFFAOYSA-N -1 3 394.478 3.718 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001457517411 1063221387 /nfs/dbraw/zinc/22/13/87/1063221387.db2.gz MTNTUVANRVYLOJ-LBPRGKRZSA-N -1 3 391.472 3.675 20 0 GHADHM CC(C)CCCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001436195488 1063280567 /nfs/dbraw/zinc/28/05/67/1063280567.db2.gz RLPITZHEJPJDQG-UHFFFAOYSA-N -1 3 395.352 3.604 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C3(c4cccc(OC(F)(F)F)c4)CC3)n[n-]2)o1 ZINC001457684803 1063312362 /nfs/dbraw/zinc/31/23/62/1063312362.db2.gz JLZHMTKGTXCKGA-UHFFFAOYSA-N -1 3 392.337 3.942 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1C1CC1 ZINC001457734601 1063335359 /nfs/dbraw/zinc/33/53/59/1063335359.db2.gz MFLCTIJNNZTDJD-GFCCVEGCSA-N -1 3 380.448 3.834 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001457791879 1063368738 /nfs/dbraw/zinc/36/87/38/1063368738.db2.gz QLMIFCUFKIKHJJ-MRXNPFEDSA-N -1 3 398.544 3.943 20 0 GHADHM O=C(NCC[C@@H](NC1CC1)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001458042137 1063522034 /nfs/dbraw/zinc/52/20/34/1063522034.db2.gz UKBGNPISLRRWRS-LJQANCHMSA-N -1 3 392.421 3.786 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)c1 ZINC001349317168 1063649396 /nfs/dbraw/zinc/64/93/96/1063649396.db2.gz RNGOPCWSZNYTGT-QGZVFWFLSA-N -1 3 386.492 3.597 20 0 GHADHM Fc1cccc2cc(Br)c(NCc3nc(C(F)(F)F)n[n-]3)nc12 ZINC001458338833 1063753066 /nfs/dbraw/zinc/75/30/66/1063753066.db2.gz FKXNJQSXCGWMJY-UHFFFAOYSA-N -1 3 390.138 3.885 20 0 GHADHM CCn1c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nnc1-c1ccncc1 ZINC001458737686 1063930385 /nfs/dbraw/zinc/93/03/85/1063930385.db2.gz ZDDQOJKGDHDFAZ-UHFFFAOYSA-N -1 3 390.472 3.815 20 0 GHADHM CCCCc1ccc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)cc1 ZINC001438530675 1064064756 /nfs/dbraw/zinc/06/47/56/1064064756.db2.gz PMNHMVCQEATGFD-UHFFFAOYSA-N -1 3 395.550 3.815 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001546111269 1064177949 /nfs/dbraw/zinc/17/79/49/1064177949.db2.gz CWOVCZBITDMPCX-LLVKDONJSA-N -1 3 382.382 3.935 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@H](C)C2)c(F)cc1Br ZINC001463493155 1064403295 /nfs/dbraw/zinc/40/32/95/1064403295.db2.gz SRRBSNISYJOWLO-CKYFFXLPSA-N -1 3 378.307 4.000 20 0 GHADHM C[C@@]1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO[C@@H]1C1CC1 ZINC001463505958 1064415168 /nfs/dbraw/zinc/41/51/68/1064415168.db2.gz OYVCFKZGSONXFU-NVXWUHKLSA-N -1 3 398.937 3.699 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2c1OCCC2 ZINC001463657403 1064533245 /nfs/dbraw/zinc/53/32/45/1064533245.db2.gz LFSSFFIXAQCOQP-INIZCTEOSA-N -1 3 389.370 3.733 20 0 GHADHM CC(C)Oc1cncc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC001463663693 1064537313 /nfs/dbraw/zinc/53/73/13/1064537313.db2.gz CAVANETZSDVXPL-UHFFFAOYSA-N -1 3 390.839 3.593 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cc(C(F)(F)F)ccc1F ZINC001463757167 1064589950 /nfs/dbraw/zinc/58/99/50/1064589950.db2.gz DESYYNPNWYUHOJ-JTQLQIEISA-N -1 3 375.334 3.948 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1C1CC1)c1cnc(Cl)c(Br)c1 ZINC001463875608 1064687614 /nfs/dbraw/zinc/68/76/14/1064687614.db2.gz HSWRJPOTFUTBGG-ZYHUDNBSSA-N -1 3 393.734 3.602 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001463909344 1064710453 /nfs/dbraw/zinc/71/04/53/1064710453.db2.gz VGHHOZFWDOSGDB-UHFFFAOYSA-N -1 3 393.314 3.976 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCCCc2ccccc2)c(F)c1 ZINC001464090174 1064814126 /nfs/dbraw/zinc/81/41/26/1064814126.db2.gz XZOPVDVQNQQDFD-UHFFFAOYSA-N -1 3 393.480 3.694 20 0 GHADHM COC(=O)c1cccc(Cc2cnc([N-]C(=O)c3ocnc3C(F)F)s2)c1 ZINC001352228068 1064938109 /nfs/dbraw/zinc/93/81/09/1064938109.db2.gz UGJBNINDNMKUKG-UHFFFAOYSA-N -1 3 393.371 3.698 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCOCC2)c1Cl ZINC001464295191 1064945404 /nfs/dbraw/zinc/94/54/04/1064945404.db2.gz VCWFCDVEBNXQDU-STQMWFEESA-N -1 3 378.321 3.643 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC001464360449 1064970472 /nfs/dbraw/zinc/97/04/72/1064970472.db2.gz OQNRKRCFYLPAGN-MFKMUULPSA-N -1 3 385.835 3.842 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001464393524 1064985278 /nfs/dbraw/zinc/98/52/78/1064985278.db2.gz YYGDSAITWWPJDQ-SFHVURJKSA-N -1 3 392.908 3.997 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464627450 1065120545 /nfs/dbraw/zinc/12/05/45/1065120545.db2.gz WDVOHXBFOZRWPW-ZSOIEALJSA-N -1 3 395.291 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464627450 1065120550 /nfs/dbraw/zinc/12/05/50/1065120550.db2.gz WDVOHXBFOZRWPW-ZSOIEALJSA-N -1 3 395.291 3.974 20 0 GHADHM COc1c(Cl)cccc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001464688865 1065157641 /nfs/dbraw/zinc/15/76/41/1065157641.db2.gz QHAHMUICBQNCPN-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCSC3(CCC3)C2)s1 ZINC001464716193 1065161934 /nfs/dbraw/zinc/16/19/34/1065161934.db2.gz DYUAQDKXEKPYGH-JTQLQIEISA-N -1 3 396.397 3.916 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3c(OC)c2)s1 ZINC001464736112 1065182225 /nfs/dbraw/zinc/18/22/25/1065182225.db2.gz GGUKRJRVOXXVIQ-GFCCVEGCSA-N -1 3 376.503 3.907 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC12CCCC2)c1cc(Cl)ccc1C(F)(F)F ZINC001464754835 1065192596 /nfs/dbraw/zinc/19/25/96/1065192596.db2.gz DKGHYUZYVDVXNH-CYBMUJFWSA-N -1 3 383.819 3.739 20 0 GHADHM CC[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1nc2ccccc2[nH]1 ZINC001464762245 1065197149 /nfs/dbraw/zinc/19/71/49/1065197149.db2.gz MZDAEQNDBCPNDL-CQSZACIVSA-N -1 3 382.370 3.564 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(Cl)cc(Cl)c2F)c1 ZINC001352691779 1065231485 /nfs/dbraw/zinc/23/14/85/1065231485.db2.gz ZBEUJNUZGYXNPR-UHFFFAOYSA-N -1 3 380.199 3.927 20 0 GHADHM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)C(C)C)n1 ZINC001464872865 1065254199 /nfs/dbraw/zinc/25/41/99/1065254199.db2.gz ZEOUTYDTOIIQEZ-OAHLLOKOSA-N -1 3 394.884 3.564 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c3ccccc31)C(=O)N2 ZINC001200151649 1065383213 /nfs/dbraw/zinc/38/32/13/1065383213.db2.gz LYBDCXGEJASIJH-GOSISDBHSA-N -1 3 386.860 3.773 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001465231601 1065481238 /nfs/dbraw/zinc/48/12/38/1065481238.db2.gz VZKXSWNGQIOMAO-CZUORRHYSA-N -1 3 394.537 3.927 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(F)cc1F ZINC001465266614 1065511952 /nfs/dbraw/zinc/51/19/52/1065511952.db2.gz RWKFIWCGECYFDA-INIZCTEOSA-N -1 3 378.325 3.966 20 0 GHADHM Cc1cccc(Cl)c1NC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001200193755 1065540073 /nfs/dbraw/zinc/54/00/73/1065540073.db2.gz FXXIHBYAPZJMTC-UHFFFAOYSA-N -1 3 389.908 3.509 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)c1 ZINC001465733933 1065817514 /nfs/dbraw/zinc/81/75/14/1065817514.db2.gz HVZZGBKUAIIWFV-GOSISDBHSA-N -1 3 382.460 3.522 20 0 GHADHM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n1 ZINC001465934447 1065929276 /nfs/dbraw/zinc/92/92/76/1065929276.db2.gz BTCIYCPGVKFSOW-LBPRGKRZSA-N -1 3 394.381 3.864 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1 ZINC001466030337 1065962068 /nfs/dbraw/zinc/96/20/68/1065962068.db2.gz SAQPENVEWFOLMA-UHFFFAOYSA-N -1 3 380.419 3.975 20 0 GHADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001466055930 1065968233 /nfs/dbraw/zinc/96/82/33/1065968233.db2.gz GKOQEIAUDCYXBG-QGZVFWFLSA-N -1 3 398.503 3.623 20 0 GHADHM O=C([N-][C@H]1CCCN(c2ccccc2F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC001358093139 1067396001 /nfs/dbraw/zinc/39/60/01/1067396001.db2.gz HKFLUHNPLVMQNX-HNNXBMFYSA-N -1 3 384.348 3.981 20 0 GHADHM O=c1[n-]nc([C@H]2CCCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C2)o1 ZINC001473433121 1067560067 /nfs/dbraw/zinc/56/00/67/1067560067.db2.gz QANBPXLMLSNJLO-KRWDZBQOSA-N -1 3 383.423 3.873 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC001546166545 1067598896 /nfs/dbraw/zinc/59/88/96/1067598896.db2.gz UFQVKIPFPNLZKD-MGPLVRAMSA-N -1 3 382.229 3.800 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC001546166547 1067599149 /nfs/dbraw/zinc/59/91/49/1067599149.db2.gz UFQVKIPFPNLZKD-QLJPJBMISA-N -1 3 382.229 3.800 20 0 GHADHM O=C(Nc1ccc2oc(CO)cc2c1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001468449104 1067735678 /nfs/dbraw/zinc/73/56/78/1067735678.db2.gz CEPSYVFCRODAQP-UHFFFAOYSA-N -1 3 390.395 3.863 20 0 GHADHM CC(C)O[N-]C(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001468459088 1067739493 /nfs/dbraw/zinc/73/94/93/1067739493.db2.gz BOAPLXAQZXHHPR-GFCCVEGCSA-N -1 3 375.250 3.706 20 0 GHADHM CC1CCN([C@@H](CNC(=O)C2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000849364727 1067822434 /nfs/dbraw/zinc/82/24/34/1067822434.db2.gz OAWRBCLGLYXDID-JCYILVPMSA-N -1 3 378.538 3.528 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(-c2ccc(F)cc2)s1 ZINC001468752962 1067861066 /nfs/dbraw/zinc/86/10/66/1067861066.db2.gz MQKLBOSMLMNVCK-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(-c2ccc(F)cc2)s1 ZINC001468752962 1067861074 /nfs/dbraw/zinc/86/10/74/1067861074.db2.gz MQKLBOSMLMNVCK-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001468970942 1067941493 /nfs/dbraw/zinc/94/14/93/1067941493.db2.gz USJMLYCNMKFWFW-JTQLQIEISA-N -1 3 378.222 3.684 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccccc2OC(F)(F)F)[n-]n1 ZINC001469322794 1068102140 /nfs/dbraw/zinc/10/21/40/1068102140.db2.gz GIULQHROKHFZDW-UHFFFAOYSA-N -1 3 399.369 3.835 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccccc2OC(F)(F)F)n[n-]1 ZINC001469322794 1068102142 /nfs/dbraw/zinc/10/21/42/1068102142.db2.gz GIULQHROKHFZDW-UHFFFAOYSA-N -1 3 399.369 3.835 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)c1 ZINC001469632934 1068273005 /nfs/dbraw/zinc/27/30/05/1068273005.db2.gz KRGQAMNNTOMDFW-ZWKOTPCHSA-N -1 3 387.863 3.637 20 0 GHADHM COc1cccc(CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC001460655329 1069061233 /nfs/dbraw/zinc/06/12/33/1069061233.db2.gz ZDJJYVIBWWTUBS-HNNXBMFYSA-N -1 3 378.394 3.868 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc(Cl)c1Br ZINC001470790125 1072742038 /nfs/dbraw/zinc/74/20/38/1072742038.db2.gz XIQPYBVMVBQLCF-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc(Cl)c1Br ZINC001470790125 1072742042 /nfs/dbraw/zinc/74/20/42/1072742042.db2.gz XIQPYBVMVBQLCF-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)c2sc(SCC)nc2C)[n-]1 ZINC001470840407 1072766589 /nfs/dbraw/zinc/76/65/89/1072766589.db2.gz AVRKLVACRWLRLT-JTQLQIEISA-N -1 3 382.511 3.596 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)c2sc(SCC)nc2C)c[n-]1 ZINC001470840407 1072766599 /nfs/dbraw/zinc/76/65/99/1072766599.db2.gz AVRKLVACRWLRLT-JTQLQIEISA-N -1 3 382.511 3.596 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)c1 ZINC001470889683 1072793698 /nfs/dbraw/zinc/79/36/98/1072793698.db2.gz PGUQMFPYGUSJMY-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(Cc2nccs2)CC1 ZINC001470938239 1072831281 /nfs/dbraw/zinc/83/12/81/1072831281.db2.gz ZLHKVOJEQNKDNS-UHFFFAOYSA-N -1 3 387.892 3.733 20 0 GHADHM CCOc1nnc(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)[n-]1 ZINC001471296291 1073003489 /nfs/dbraw/zinc/00/34/89/1073003489.db2.gz CXJPMCCYMDTCKD-UHFFFAOYSA-N -1 3 378.388 3.878 20 0 GHADHM CCOc1nc(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)n[n-]1 ZINC001471296291 1073003496 /nfs/dbraw/zinc/00/34/96/1073003496.db2.gz CXJPMCCYMDTCKD-UHFFFAOYSA-N -1 3 378.388 3.878 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)n1 ZINC001471296291 1073003505 /nfs/dbraw/zinc/00/35/05/1073003505.db2.gz CXJPMCCYMDTCKD-UHFFFAOYSA-N -1 3 378.388 3.878 20 0 GHADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]OCCCC(F)(F)F ZINC001471402670 1073056259 /nfs/dbraw/zinc/05/62/59/1073056259.db2.gz DYMDXMBFWJZSPZ-UHFFFAOYSA-N -1 3 394.397 3.822 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1cc(Cl)cc(Br)c1 ZINC001471546991 1073125777 /nfs/dbraw/zinc/12/57/77/1073125777.db2.gz COXXMSHQKRWFJP-UHFFFAOYSA-N -1 3 386.648 3.849 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)CCCC2 ZINC001471562086 1073135999 /nfs/dbraw/zinc/13/59/99/1073135999.db2.gz MHKBIAVBROLPSD-SFHVURJKSA-N -1 3 383.444 3.810 20 0 GHADHM COc1cc2c(cc1OC)[C@H](NC(=O)c1nnc3ccccc3c1[O-])CCCC2 ZINC001471563051 1073136602 /nfs/dbraw/zinc/13/66/02/1073136602.db2.gz QXDLQLPVDDZQDG-MRXNPFEDSA-N -1 3 393.443 3.550 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc([C@@H]2CCOC2)c1 ZINC001472241292 1073380325 /nfs/dbraw/zinc/38/03/25/1073380325.db2.gz OHHFSKLCHOAEBE-GOSISDBHSA-N -1 3 391.427 3.523 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccc([C@@H]2CCOC2)c1 ZINC001472241292 1073380335 /nfs/dbraw/zinc/38/03/35/1073380335.db2.gz OHHFSKLCHOAEBE-GOSISDBHSA-N -1 3 391.427 3.523 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc2c(ccnc2Cl)o1 ZINC001472242807 1073381496 /nfs/dbraw/zinc/38/14/96/1073381496.db2.gz WTCXSURIDOVAJY-UHFFFAOYSA-N -1 3 396.790 3.814 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc2c(ccnc2Cl)o1 ZINC001472242807 1073381500 /nfs/dbraw/zinc/38/15/00/1073381500.db2.gz WTCXSURIDOVAJY-UHFFFAOYSA-N -1 3 396.790 3.814 20 0 GHADHM Cc1noc(Cl)c1CCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001472355755 1073441852 /nfs/dbraw/zinc/44/18/52/1073441852.db2.gz VAWSBASJZGDTET-UHFFFAOYSA-N -1 3 391.884 3.927 20 0 GHADHM CC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cc(C)ccc1C ZINC001479122110 1079112334 /nfs/dbraw/zinc/11/23/34/1079112334.db2.gz FQZZIBYHGWIXSM-QGZVFWFLSA-N -1 3 399.457 3.855 20 0 GHADHM O=C(N[C@@H](c1nccs1)c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472507745 1073521738 /nfs/dbraw/zinc/52/17/38/1073521738.db2.gz HDYDSWLENWGCEZ-QGZVFWFLSA-N -1 3 397.406 3.782 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3c(C)onc3-c3ccccc3C)c2c1=O ZINC001472585994 1073562383 /nfs/dbraw/zinc/56/23/83/1073562383.db2.gz ZZIKQCKTFIZXBG-UHFFFAOYSA-N -1 3 391.431 3.577 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc4c(c3)[C@@H](C)CC(=O)N4C)c[n-]c12 ZINC001472607467 1073571902 /nfs/dbraw/zinc/57/19/02/1073571902.db2.gz PDLLKTUEUQNLPW-ZDUSSCGKSA-N -1 3 375.428 3.559 20 0 GHADHM C[C@H](NCC(=O)[N-]OCc1ccccc1)c1cc(Cl)ccc1OC(F)F ZINC001473316787 1073917952 /nfs/dbraw/zinc/91/79/52/1073917952.db2.gz XHAWBLTYQHLASN-LBPRGKRZSA-N -1 3 384.810 3.840 20 0 GHADHM C[C@@H]1CCN(CCSc2cccc(Cl)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001473676432 1074080682 /nfs/dbraw/zinc/08/06/82/1074080682.db2.gz UPKARGVYGSIDQF-RISCZKNCSA-N -1 3 380.863 3.821 20 0 GHADHM CCc1cc(=O)[n-]c(CN2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)n1 ZINC001473682105 1074084091 /nfs/dbraw/zinc/08/40/91/1074084091.db2.gz YDNCLGVAHCKSSQ-UHFFFAOYSA-N -1 3 395.482 3.654 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc([O-])c(F)c2F)C1=O ZINC001474542735 1074456208 /nfs/dbraw/zinc/45/62/08/1074456208.db2.gz UPIKJMGWLWUBJV-WBMJQRKESA-N -1 3 378.394 3.651 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(Cc2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC001474824085 1074580218 /nfs/dbraw/zinc/58/02/18/1074580218.db2.gz HQBKGZAEDPLAKP-INIZCTEOSA-N -1 3 399.343 3.936 20 0 GHADHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001474977912 1074663598 /nfs/dbraw/zinc/66/35/98/1074663598.db2.gz PGHJKHYTXKXDGA-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c1Cl ZINC001475056760 1074714220 /nfs/dbraw/zinc/71/42/20/1074714220.db2.gz BIXWOBCREDAALQ-UHFFFAOYSA-N -1 3 396.242 3.937 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)cc1F ZINC001475272115 1074816261 /nfs/dbraw/zinc/81/62/61/1074816261.db2.gz MONDNLYQNJSISV-CABCVRRESA-N -1 3 381.444 3.978 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc(Cl)c(Cl)c2)cc1F ZINC001475341392 1074840519 /nfs/dbraw/zinc/84/05/19/1074840519.db2.gz JVPPHNPOGOFXAP-UHFFFAOYSA-N -1 3 396.242 3.937 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(C)C)C1(CO)CCCC1 ZINC001475368854 1074851304 /nfs/dbraw/zinc/85/13/04/1074851304.db2.gz FGIYDZDIUCOPHC-KRWDZBQOSA-N -1 3 383.485 3.736 20 0 GHADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC001475372301 1074852958 /nfs/dbraw/zinc/85/29/58/1074852958.db2.gz OLIVSNGASNNAAO-OLZOCXBDSA-N -1 3 383.819 3.595 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001475390820 1074858842 /nfs/dbraw/zinc/85/88/42/1074858842.db2.gz BUAJEKDMSFLGHW-ZBFHGGJFSA-N -1 3 385.501 3.887 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c2ccco2)cc1 ZINC001475397969 1074860361 /nfs/dbraw/zinc/86/03/61/1074860361.db2.gz HIFRKFRWQFBNJS-SFHVURJKSA-N -1 3 397.374 3.773 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1[O-] ZINC001546206021 1074885047 /nfs/dbraw/zinc/88/50/47/1074885047.db2.gz YPGPJJDVYVYOPY-ZDUSSCGKSA-N -1 3 393.270 3.910 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1F ZINC001475471719 1074887123 /nfs/dbraw/zinc/88/71/23/1074887123.db2.gz BJIIDEHNLYTCFW-AWEZNQCLSA-N -1 3 376.375 3.915 20 0 GHADHM O=S(=O)(CC12CCC(CC1)CC2)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC001475474614 1074888047 /nfs/dbraw/zinc/88/80/47/1074888047.db2.gz CDRWXWOWRZPMNN-SIWZUTFBSA-N -1 3 383.476 3.766 20 0 GHADHM O=S(=O)([N-][C@H](C(F)F)C1CCCCC1)c1cccc2c1OC(F)(F)O2 ZINC001475512545 1074901588 /nfs/dbraw/zinc/90/15/88/1074901588.db2.gz QKMMNLMQCIKQLA-LBPRGKRZSA-N -1 3 383.363 3.500 20 0 GHADHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC001475535765 1074907369 /nfs/dbraw/zinc/90/73/69/1074907369.db2.gz JQJAXNBEXSPGSB-YMTOWFKASA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc2sc(C[N-]S(=O)(=O)Cc3cc(-c4ccccc4)no3)nc2c1 ZINC001475584454 1074920699 /nfs/dbraw/zinc/92/06/99/1074920699.db2.gz ZXTRYZBJLFPDRK-UHFFFAOYSA-N -1 3 399.497 3.879 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3[nH]ccc32)sc1Br ZINC001475613384 1074927579 /nfs/dbraw/zinc/92/75/79/1074927579.db2.gz HMNFAQSGPIATKL-UHFFFAOYSA-N -1 3 385.308 3.779 20 0 GHADHM O=S(=O)([N-]C1([C@@H]2CCCCO2)CCC1)c1cc(C(F)(F)F)ccc1F ZINC001475613438 1074927630 /nfs/dbraw/zinc/92/76/30/1074927630.db2.gz KOGWMBQMDCOHBH-AWEZNQCLSA-N -1 3 381.391 3.615 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(Cl)c1Cl ZINC001475656581 1074993919 /nfs/dbraw/zinc/99/39/19/1074993919.db2.gz RBSYUJIRSCFOMQ-KCJUWKMLSA-N -1 3 392.226 3.772 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCC3(CCC3)O2)s1 ZINC001475714170 1075005994 /nfs/dbraw/zinc/00/59/94/1075005994.db2.gz CRLADXZTFZFQBF-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c([O-])c1 ZINC000008378720 209173187 /nfs/dbraw/zinc/17/31/87/209173187.db2.gz RTQHAFPRHQIVFV-HNNXBMFYSA-N -1 3 388.489 3.516 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c(=O)[n-]1 ZINC000021843742 210395758 /nfs/dbraw/zinc/39/57/58/210395758.db2.gz MJMAXEILRUUJAF-UHFFFAOYSA-N -1 3 394.909 3.796 20 0 GHADHM CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736381727 598823378 /nfs/dbraw/zinc/82/33/78/598823378.db2.gz JXTCHRRBSDDWQZ-BZNIZROVSA-N -1 3 388.374 3.607 20 0 GHADHM CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736381727 598823380 /nfs/dbraw/zinc/82/33/80/598823380.db2.gz JXTCHRRBSDDWQZ-BZNIZROVSA-N -1 3 388.374 3.607 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1c(C)cccc1C ZINC000737388639 598824774 /nfs/dbraw/zinc/82/47/74/598824774.db2.gz HBJLDUUIJISBBU-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1c(C)cccc1C ZINC000737388639 598824775 /nfs/dbraw/zinc/82/47/75/598824775.db2.gz HBJLDUUIJISBBU-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737955361 598830086 /nfs/dbraw/zinc/83/00/86/598830086.db2.gz ZKCPURSMYVSXEN-UHFFFAOYSA-N -1 3 398.879 3.733 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737955361 598830088 /nfs/dbraw/zinc/83/00/88/598830088.db2.gz ZKCPURSMYVSXEN-UHFFFAOYSA-N -1 3 398.879 3.733 20 0 GHADHM CSCCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737182693 598831067 /nfs/dbraw/zinc/83/10/67/598831067.db2.gz RETVBOOAWMPTHO-UHFFFAOYSA-N -1 3 384.465 3.526 20 0 GHADHM O=C(C=Cc1ccsc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737807078 598834333 /nfs/dbraw/zinc/83/43/33/598834333.db2.gz NNVQJRKFRFKJRP-QPJJXVBHSA-N -1 3 393.497 3.986 20 0 GHADHM O=C(COC1CCCCC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737914955 598836004 /nfs/dbraw/zinc/83/60/04/598836004.db2.gz AHMDDKRNVQWTSG-UHFFFAOYSA-N -1 3 397.504 3.561 20 0 GHADHM C[C@H](NCc1csc(COc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736130855 598837518 /nfs/dbraw/zinc/83/75/18/598837518.db2.gz OYWUTNPPPDRCFK-AWEZNQCLSA-N -1 3 392.488 3.753 20 0 GHADHM C[C@H](NCc1csc(COc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736130855 598837520 /nfs/dbraw/zinc/83/75/20/598837520.db2.gz OYWUTNPPPDRCFK-AWEZNQCLSA-N -1 3 392.488 3.753 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H]2CCCC[C@@H]2C)c1C ZINC000737502648 598840554 /nfs/dbraw/zinc/84/05/54/598840554.db2.gz GRXUWVPQWGCUBF-SUMWQHHRSA-N -1 3 393.495 3.824 20 0 GHADHM Cc1ccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737303395 598859621 /nfs/dbraw/zinc/85/96/21/598859621.db2.gz KNVMAZIRHULALK-UHFFFAOYSA-N -1 3 376.420 3.627 20 0 GHADHM Cc1ccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737303395 598859623 /nfs/dbraw/zinc/85/96/23/598859623.db2.gz KNVMAZIRHULALK-UHFFFAOYSA-N -1 3 376.420 3.627 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737799123 598866156 /nfs/dbraw/zinc/86/61/56/598866156.db2.gz JJRSHFUISAIAND-MDWZMJQESA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737799123 598866158 /nfs/dbraw/zinc/86/61/58/598866158.db2.gz JJRSHFUISAIAND-MDWZMJQESA-N -1 3 384.399 3.706 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895428 598878373 /nfs/dbraw/zinc/87/83/73/598878373.db2.gz JFWKSNZKTLINFW-QRWLVFNGSA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895428 598878374 /nfs/dbraw/zinc/87/83/74/598878374.db2.gz JFWKSNZKTLINFW-QRWLVFNGSA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894446 598879401 /nfs/dbraw/zinc/87/94/01/598879401.db2.gz CUMQIAOYRVQOBN-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894446 598879403 /nfs/dbraw/zinc/87/94/03/598879403.db2.gz CUMQIAOYRVQOBN-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036647 598884318 /nfs/dbraw/zinc/88/43/18/598884318.db2.gz FUJBHAAVNCXARP-IOCXFXADSA-N -1 3 390.852 3.606 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc(Cl)s1 ZINC000736036647 598884319 /nfs/dbraw/zinc/88/43/19/598884319.db2.gz FUJBHAAVNCXARP-IOCXFXADSA-N -1 3 390.852 3.606 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1cccc2ccccc21 ZINC000736041520 598884839 /nfs/dbraw/zinc/88/48/39/598884839.db2.gz XFZBUPMCMQRSNG-HNNXBMFYSA-N -1 3 388.427 3.573 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1cccc2ccccc21 ZINC000736041520 598884840 /nfs/dbraw/zinc/88/48/40/598884840.db2.gz XFZBUPMCMQRSNG-HNNXBMFYSA-N -1 3 388.427 3.573 20 0 GHADHM Cc1nc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)oc1C ZINC000737482078 598889238 /nfs/dbraw/zinc/88/92/38/598889238.db2.gz GYTKIURDBMAVLM-UHFFFAOYSA-N -1 3 395.448 3.522 20 0 GHADHM CC(C)(C)c1nc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)no1 ZINC000735655557 598901618 /nfs/dbraw/zinc/90/16/18/598901618.db2.gz BHSNXEOZVIXOHM-UHFFFAOYSA-N -1 3 393.476 3.902 20 0 GHADHM CC(C)(C)c1nc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)no1 ZINC000735655557 598901620 /nfs/dbraw/zinc/90/16/20/598901620.db2.gz BHSNXEOZVIXOHM-UHFFFAOYSA-N -1 3 393.476 3.902 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000737279247 598903287 /nfs/dbraw/zinc/90/32/87/598903287.db2.gz OUDVYKAXCUYUSO-UHFFFAOYSA-N -1 3 397.432 3.641 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000737279247 598903290 /nfs/dbraw/zinc/90/32/90/598903290.db2.gz OUDVYKAXCUYUSO-UHFFFAOYSA-N -1 3 397.432 3.641 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736364506 598907262 /nfs/dbraw/zinc/90/72/62/598907262.db2.gz SLGIOTYSTGSHIV-GFCCVEGCSA-N -1 3 393.925 3.941 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736364506 598907264 /nfs/dbraw/zinc/90/72/64/598907264.db2.gz SLGIOTYSTGSHIV-GFCCVEGCSA-N -1 3 393.925 3.941 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736265851 598923244 /nfs/dbraw/zinc/92/32/44/598923244.db2.gz DKMLEMTUNOVJCY-CQSZACIVSA-N -1 3 393.451 3.850 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(NC2CCCCC2)s1 ZINC000737562913 598936087 /nfs/dbraw/zinc/93/60/87/598936087.db2.gz AGQMEUCPWWXTRI-UHFFFAOYSA-N -1 3 394.917 3.662 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(NC2CCCCC2)s1 ZINC000737562913 598936089 /nfs/dbraw/zinc/93/60/89/598936089.db2.gz AGQMEUCPWWXTRI-UHFFFAOYSA-N -1 3 394.917 3.662 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSC1=Nc2ccccc2CS1 ZINC000737032738 598938012 /nfs/dbraw/zinc/93/80/12/598938012.db2.gz NWIJIVTUTSQCFL-UHFFFAOYSA-N -1 3 399.501 3.922 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSC1=Nc2ccccc2CS1 ZINC000737032738 598938014 /nfs/dbraw/zinc/93/80/14/598938014.db2.gz NWIJIVTUTSQCFL-UHFFFAOYSA-N -1 3 399.501 3.922 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(N2CCCCCC2)c1 ZINC000737803445 598944691 /nfs/dbraw/zinc/94/46/91/598944691.db2.gz SRVOLCLAUJGBPN-OUKQBFOZSA-N -1 3 388.475 3.899 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(N2CCCCCC2)c1 ZINC000737803445 598944693 /nfs/dbraw/zinc/94/46/93/598944693.db2.gz SRVOLCLAUJGBPN-OUKQBFOZSA-N -1 3 388.475 3.899 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736202721 598954047 /nfs/dbraw/zinc/95/40/47/598954047.db2.gz KUJNSZJAFZGLPV-MRXNPFEDSA-N -1 3 390.491 3.669 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000735751741 598965666 /nfs/dbraw/zinc/96/56/66/598965666.db2.gz WZZOSDFEHUPSCM-GFCCVEGCSA-N -1 3 394.426 3.758 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000735751741 598965668 /nfs/dbraw/zinc/96/56/68/598965668.db2.gz WZZOSDFEHUPSCM-GFCCVEGCSA-N -1 3 394.426 3.758 20 0 GHADHM O=C(NC1CCCCCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738026735 598981377 /nfs/dbraw/zinc/98/13/77/598981377.db2.gz VMJCAMVIPFUSKN-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM O=C(NC1CCCCCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738026735 598981378 /nfs/dbraw/zinc/98/13/78/598981378.db2.gz VMJCAMVIPFUSKN-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736423168 598992172 /nfs/dbraw/zinc/99/21/72/598992172.db2.gz LMSFJXOTVCSBDT-HNNXBMFYSA-N -1 3 379.464 3.706 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736423168 598992173 /nfs/dbraw/zinc/99/21/73/598992173.db2.gz LMSFJXOTVCSBDT-HNNXBMFYSA-N -1 3 379.464 3.706 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000735654520 599009653 /nfs/dbraw/zinc/00/96/53/599009653.db2.gz DZHZORLIQQQSTG-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000735654520 599009655 /nfs/dbraw/zinc/00/96/55/599009655.db2.gz DZHZORLIQQQSTG-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CCc1ccccc1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736696534 599014376 /nfs/dbraw/zinc/01/43/76/599014376.db2.gz YMRNAWMRZYMPLM-UHFFFAOYSA-N -1 3 392.507 3.797 20 0 GHADHM CCc1ccccc1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736696534 599014378 /nfs/dbraw/zinc/01/43/78/599014378.db2.gz YMRNAWMRZYMPLM-UHFFFAOYSA-N -1 3 392.507 3.797 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736400787 599021962 /nfs/dbraw/zinc/02/19/62/599021962.db2.gz CJHQUQQTUBSERI-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736400787 599021965 /nfs/dbraw/zinc/02/19/65/599021965.db2.gz CJHQUQQTUBSERI-INIZCTEOSA-N -1 3 391.475 3.708 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000822351779 599036777 /nfs/dbraw/zinc/03/67/77/599036777.db2.gz QIVOJXBSKBHXGF-QGZVFWFLSA-N -1 3 389.381 3.772 20 0 GHADHM CN(CCc1ccc(Cl)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736804405 599056885 /nfs/dbraw/zinc/05/68/85/599056885.db2.gz NCRQIBOLSFUNAY-UHFFFAOYSA-N -1 3 382.777 3.613 20 0 GHADHM CN(CCc1ccc(Cl)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736804405 599056886 /nfs/dbraw/zinc/05/68/86/599056886.db2.gz NCRQIBOLSFUNAY-UHFFFAOYSA-N -1 3 382.777 3.613 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000736637509 599072157 /nfs/dbraw/zinc/07/21/57/599072157.db2.gz QRRLEIGDMMXMTQ-UHFFFAOYSA-N -1 3 390.447 3.626 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000736637509 599072161 /nfs/dbraw/zinc/07/21/61/599072161.db2.gz QRRLEIGDMMXMTQ-UHFFFAOYSA-N -1 3 390.447 3.626 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1C[C@H]1C1CCCCC1 ZINC000738138985 599074585 /nfs/dbraw/zinc/07/45/85/599074585.db2.gz JMTLXCKOTCGBRX-STQMWFEESA-N -1 3 377.395 3.623 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1C[C@H]1C1CCCCC1 ZINC000738138985 599074589 /nfs/dbraw/zinc/07/45/89/599074589.db2.gz JMTLXCKOTCGBRX-STQMWFEESA-N -1 3 377.395 3.623 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1OCCc2sccc21 ZINC000822718978 599076489 /nfs/dbraw/zinc/07/64/89/599076489.db2.gz WZBXCNAKELKJQZ-ZDUSSCGKSA-N -1 3 381.383 3.673 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2OCCc3sccc32)ccc1-c1nnn[n-]1 ZINC000822723609 599076693 /nfs/dbraw/zinc/07/66/93/599076693.db2.gz HSTUJBIVBQGBOV-CYBMUJFWSA-N -1 3 381.383 3.673 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2OCCc3sccc32)ccc1-c1nn[n-]n1 ZINC000822723609 599076696 /nfs/dbraw/zinc/07/66/96/599076696.db2.gz HSTUJBIVBQGBOV-CYBMUJFWSA-N -1 3 381.383 3.673 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736425185 599083964 /nfs/dbraw/zinc/08/39/64/599083964.db2.gz FCJCDGBCTVXPQB-FUHWJXTLSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736425185 599083967 /nfs/dbraw/zinc/08/39/67/599083967.db2.gz FCJCDGBCTVXPQB-FUHWJXTLSA-N -1 3 393.491 3.552 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000737854334 599086008 /nfs/dbraw/zinc/08/60/08/599086008.db2.gz XNKZVXJXRSZNKE-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccoc1)C1CCCCC1 ZINC000737854334 599086010 /nfs/dbraw/zinc/08/60/10/599086010.db2.gz XNKZVXJXRSZNKE-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820281923 599089737 /nfs/dbraw/zinc/08/97/37/599089737.db2.gz ZIQWNSWWZDMMNI-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820281923 599089740 /nfs/dbraw/zinc/08/97/40/599089740.db2.gz ZIQWNSWWZDMMNI-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CCC4(CCCC4)C3)c2c1 ZINC000822737545 599093954 /nfs/dbraw/zinc/09/39/54/599093954.db2.gz ZHGQUMMANOMYBU-UHFFFAOYSA-N -1 3 386.406 3.787 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CCC4(CCCC4)C3)c2c1 ZINC000822737545 599093957 /nfs/dbraw/zinc/09/39/57/599093957.db2.gz ZHGQUMMANOMYBU-UHFFFAOYSA-N -1 3 386.406 3.787 20 0 GHADHM FC(F)(F)COc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822718668 607258405 /nfs/dbraw/zinc/25/84/05/607258405.db2.gz NZLXYVIFMKLAPL-UHFFFAOYSA-N -1 3 381.383 3.636 20 0 GHADHM FC(F)(F)COc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822718668 607258406 /nfs/dbraw/zinc/25/84/06/607258406.db2.gz NZLXYVIFMKLAPL-UHFFFAOYSA-N -1 3 381.383 3.636 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000822233125 599108926 /nfs/dbraw/zinc/10/89/26/599108926.db2.gz IMAOINRLUQXMHJ-PXNSSMCTSA-N -1 3 390.491 3.639 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000822233125 599108928 /nfs/dbraw/zinc/10/89/28/599108928.db2.gz IMAOINRLUQXMHJ-PXNSSMCTSA-N -1 3 390.491 3.639 20 0 GHADHM Fc1ccc(-n2nc(CSc3ccccc3-c3nnn[n-]3)c3c2CCC3)cc1 ZINC000737647245 599110985 /nfs/dbraw/zinc/11/09/85/599110985.db2.gz DFLZHTNLHNAWOB-UHFFFAOYSA-N -1 3 392.463 3.973 20 0 GHADHM Fc1ccc(-n2nc(CSc3ccccc3-c3nn[n-]n3)c3c2CCC3)cc1 ZINC000737647245 599110987 /nfs/dbraw/zinc/11/09/87/599110987.db2.gz DFLZHTNLHNAWOB-UHFFFAOYSA-N -1 3 392.463 3.973 20 0 GHADHM CCO[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCCC2 ZINC000736615488 599119876 /nfs/dbraw/zinc/11/98/76/599119876.db2.gz YIBHZZSKLJVCNW-KBPBESRZSA-N -1 3 396.417 3.820 20 0 GHADHM CCO[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCCC2 ZINC000736615488 599119878 /nfs/dbraw/zinc/11/98/78/599119878.db2.gz YIBHZZSKLJVCNW-KBPBESRZSA-N -1 3 396.417 3.820 20 0 GHADHM CCCC[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)OC ZINC000821044142 599126989 /nfs/dbraw/zinc/12/69/89/599126989.db2.gz XFPSWLQTCZTZAT-MRXNPFEDSA-N -1 3 383.477 3.753 20 0 GHADHM CCCC[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)OC ZINC000821044142 599126990 /nfs/dbraw/zinc/12/69/90/599126990.db2.gz XFPSWLQTCZTZAT-MRXNPFEDSA-N -1 3 383.477 3.753 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2sccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148141 599143721 /nfs/dbraw/zinc/14/37/21/599143721.db2.gz LSXWZJRCTBUXNE-YVEFUNNKSA-N -1 3 399.545 3.868 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2sccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148141 599143723 /nfs/dbraw/zinc/14/37/23/599143723.db2.gz LSXWZJRCTBUXNE-YVEFUNNKSA-N -1 3 399.545 3.868 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1SCCc2sccc21 ZINC000820116852 599146318 /nfs/dbraw/zinc/14/63/18/599146318.db2.gz QAYCZCUIVZLKPP-QGZVFWFLSA-N -1 3 399.545 3.696 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1SCCc2sccc21 ZINC000820116852 599146321 /nfs/dbraw/zinc/14/63/21/599146321.db2.gz QAYCZCUIVZLKPP-QGZVFWFLSA-N -1 3 399.545 3.696 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C\C1CC1 ZINC000822206249 599153120 /nfs/dbraw/zinc/15/31/20/599153120.db2.gz ZUPXIENUCZXUPA-WDZFZDKYSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C\C1CC1 ZINC000822206249 599153123 /nfs/dbraw/zinc/15/31/23/599153123.db2.gz ZUPXIENUCZXUPA-WDZFZDKYSA-N -1 3 377.423 3.814 20 0 GHADHM Brc1ccc(-c2cnc(COc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000735369535 599157252 /nfs/dbraw/zinc/15/72/52/599157252.db2.gz WEYKLNJTXYBODP-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccc(-c2cnc(COc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000735369535 599157257 /nfs/dbraw/zinc/15/72/57/599157257.db2.gz WEYKLNJTXYBODP-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CCNC(=O)c1ccc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000736578470 599157845 /nfs/dbraw/zinc/15/78/45/599157845.db2.gz WLLNFQHTXXCFIT-UHFFFAOYSA-N -1 3 399.454 3.862 20 0 GHADHM CCNC(=O)c1ccc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000736578470 599157846 /nfs/dbraw/zinc/15/78/46/599157846.db2.gz WLLNFQHTXXCFIT-UHFFFAOYSA-N -1 3 399.454 3.862 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736190011 599168723 /nfs/dbraw/zinc/16/87/23/599168723.db2.gz DRCAGWGRXDYJGK-QWHCGFSZSA-N -1 3 397.479 3.854 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736190011 599168724 /nfs/dbraw/zinc/16/87/24/599168724.db2.gz DRCAGWGRXDYJGK-QWHCGFSZSA-N -1 3 397.479 3.854 20 0 GHADHM CSc1cccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737191130 599171052 /nfs/dbraw/zinc/17/10/52/599171052.db2.gz MDLTUCFZDPCHBZ-JTQLQIEISA-N -1 3 389.481 3.847 20 0 GHADHM CSc1cccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737191130 599171055 /nfs/dbraw/zinc/17/10/55/599171055.db2.gz MDLTUCFZDPCHBZ-JTQLQIEISA-N -1 3 389.481 3.847 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736685930 599172994 /nfs/dbraw/zinc/17/29/94/599172994.db2.gz MWUQXDALOVKIMU-OLZOCXBDSA-N -1 3 399.495 3.926 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736685930 599172996 /nfs/dbraw/zinc/17/29/96/599172996.db2.gz MWUQXDALOVKIMU-OLZOCXBDSA-N -1 3 399.495 3.926 20 0 GHADHM Cc1nc(SCCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)sc1C ZINC000737483519 599173801 /nfs/dbraw/zinc/17/38/01/599173801.db2.gz OTZIGHRCVQNFDY-UHFFFAOYSA-N -1 3 394.913 3.714 20 0 GHADHM Cc1nc(SCCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)sc1C ZINC000737483519 599173804 /nfs/dbraw/zinc/17/38/04/599173804.db2.gz OTZIGHRCVQNFDY-UHFFFAOYSA-N -1 3 394.913 3.714 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000738406267 599176212 /nfs/dbraw/zinc/17/62/12/599176212.db2.gz BUPRNGBLISXVNV-GRYCIOLGSA-N -1 3 376.917 3.775 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000738406267 599176214 /nfs/dbraw/zinc/17/62/14/599176214.db2.gz BUPRNGBLISXVNV-GRYCIOLGSA-N -1 3 376.917 3.775 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1sccc1-c1ccccc1 ZINC000823241964 599179712 /nfs/dbraw/zinc/17/97/12/599179712.db2.gz MDQCQCUGRJSONE-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1sccc1-c1ccccc1 ZINC000823241964 599179713 /nfs/dbraw/zinc/17/97/13/599179713.db2.gz MDQCQCUGRJSONE-UHFFFAOYSA-N -1 3 379.420 3.664 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735643001 599180089 /nfs/dbraw/zinc/18/00/89/599180089.db2.gz JFZFUINMBNQDEN-MUUNZHRXSA-N -1 3 398.492 3.558 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735643001 599180092 /nfs/dbraw/zinc/18/00/92/599180092.db2.gz JFZFUINMBNQDEN-MUUNZHRXSA-N -1 3 398.492 3.558 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000736480453 599181715 /nfs/dbraw/zinc/18/17/15/599181715.db2.gz PGXVIYWRQCDFHG-SFHVURJKSA-N -1 3 393.516 3.885 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000736480453 599181717 /nfs/dbraw/zinc/18/17/17/599181717.db2.gz PGXVIYWRQCDFHG-SFHVURJKSA-N -1 3 393.516 3.885 20 0 GHADHM CCN(C(=O)c1cc2cccc(F)c2o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505755 599182896 /nfs/dbraw/zinc/18/28/96/599182896.db2.gz MJHPWRPZABJTRU-LBPRGKRZSA-N -1 3 379.395 3.975 20 0 GHADHM CCN(C(=O)c1cc2cccc(F)c2o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505755 599182900 /nfs/dbraw/zinc/18/29/00/599182900.db2.gz MJHPWRPZABJTRU-LBPRGKRZSA-N -1 3 379.395 3.975 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820666253 599190028 /nfs/dbraw/zinc/19/00/28/599190028.db2.gz HIQRZUJYPQGYBC-ADJKGBHTSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820666253 599190029 /nfs/dbraw/zinc/19/00/29/599190029.db2.gz HIQRZUJYPQGYBC-ADJKGBHTSA-N -1 3 377.423 3.629 20 0 GHADHM O=C(Nc1cccnc1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738195190 599196637 /nfs/dbraw/zinc/19/66/37/599196637.db2.gz IKDAWDFPFMDQHZ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(NCC(C1CC1)C1CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823162414 599198726 /nfs/dbraw/zinc/19/87/26/599198726.db2.gz VJVCCUALWSHCAB-UHFFFAOYSA-N -1 3 389.459 3.825 20 0 GHADHM O=C(NCC(C1CC1)C1CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823162414 599198727 /nfs/dbraw/zinc/19/87/27/599198727.db2.gz VJVCCUALWSHCAB-UHFFFAOYSA-N -1 3 389.459 3.825 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736443634 599199762 /nfs/dbraw/zinc/19/97/62/599199762.db2.gz AZRSVYJYMKXNPZ-GOSISDBHSA-N -1 3 398.555 3.902 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736443634 599199763 /nfs/dbraw/zinc/19/97/63/599199763.db2.gz AZRSVYJYMKXNPZ-GOSISDBHSA-N -1 3 398.555 3.902 20 0 GHADHM Cc1cc(F)cc2[nH]c(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)cc21 ZINC000737264456 599200815 /nfs/dbraw/zinc/20/08/15/599200815.db2.gz RDCSTKZFBADBOR-UHFFFAOYSA-N -1 3 392.438 3.846 20 0 GHADHM Cc1cc(F)cc2[nH]c(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)cc21 ZINC000737264456 599200817 /nfs/dbraw/zinc/20/08/17/599200817.db2.gz RDCSTKZFBADBOR-UHFFFAOYSA-N -1 3 392.438 3.846 20 0 GHADHM CC(C)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000820045571 599210430 /nfs/dbraw/zinc/21/04/30/599210430.db2.gz NRRVQKUEKXKSSM-LJQANCHMSA-N -1 3 393.516 3.747 20 0 GHADHM CC(C)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000820045571 599210433 /nfs/dbraw/zinc/21/04/33/599210433.db2.gz NRRVQKUEKXKSSM-LJQANCHMSA-N -1 3 393.516 3.747 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735922040 599214230 /nfs/dbraw/zinc/21/42/30/599214230.db2.gz AKDSPOVDJNTNQN-UHFFFAOYSA-N -1 3 392.507 3.764 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735922040 599214232 /nfs/dbraw/zinc/21/42/32/599214232.db2.gz AKDSPOVDJNTNQN-UHFFFAOYSA-N -1 3 392.507 3.764 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821956701 599218539 /nfs/dbraw/zinc/21/85/39/599218539.db2.gz VUFIOPJTOTVNGP-NSHDSACASA-N -1 3 387.440 3.736 20 0 GHADHM CSC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821956701 599218541 /nfs/dbraw/zinc/21/85/41/599218541.db2.gz VUFIOPJTOTVNGP-NSHDSACASA-N -1 3 387.440 3.736 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000822284045 599219022 /nfs/dbraw/zinc/21/90/22/599219022.db2.gz HFYHFYLKAMGEBV-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000822284045 599219024 /nfs/dbraw/zinc/21/90/24/599219024.db2.gz HFYHFYLKAMGEBV-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(CC[C@H]1CCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822950010 599219109 /nfs/dbraw/zinc/21/91/09/599219109.db2.gz BTHZBEGPSJADBX-CQSZACIVSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(CC[C@H]1CCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822950010 599219112 /nfs/dbraw/zinc/21/91/12/599219112.db2.gz BTHZBEGPSJADBX-CQSZACIVSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(CSCCc1ccc2ccccc2c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823060751 599226575 /nfs/dbraw/zinc/22/65/75/599226575.db2.gz KKXXTNFPDTWBMF-UHFFFAOYSA-N -1 3 389.484 3.934 20 0 GHADHM O=C(CSCCc1ccc2ccccc2c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823060751 599226578 /nfs/dbraw/zinc/22/65/78/599226578.db2.gz KKXXTNFPDTWBMF-UHFFFAOYSA-N -1 3 389.484 3.934 20 0 GHADHM CCCn1ccc2ccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)cc21 ZINC000821147397 607263664 /nfs/dbraw/zinc/26/36/64/607263664.db2.gz FQCZEJKJVHIKLN-UHFFFAOYSA-N -1 3 381.827 3.532 20 0 GHADHM CCCn1ccc2ccc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)cc21 ZINC000821147397 607263665 /nfs/dbraw/zinc/26/36/65/607263665.db2.gz FQCZEJKJVHIKLN-UHFFFAOYSA-N -1 3 381.827 3.532 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825668112 607834854 /nfs/dbraw/zinc/83/48/54/607834854.db2.gz BBXYBYSSFAZYQC-NWDGAFQWSA-N -1 3 386.308 3.578 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825668112 607834855 /nfs/dbraw/zinc/83/48/55/607834855.db2.gz BBXYBYSSFAZYQC-NWDGAFQWSA-N -1 3 386.308 3.578 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3ccccc3F)n2)cccc1-c1nnn[n-]1 ZINC000822116760 607270833 /nfs/dbraw/zinc/27/08/33/607270833.db2.gz XKWFVIOTPKYTGZ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3ccccc3F)n2)cccc1-c1nn[n-]n1 ZINC000822116760 607270834 /nfs/dbraw/zinc/27/08/34/607270834.db2.gz XKWFVIOTPKYTGZ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501504 599248096 /nfs/dbraw/zinc/24/80/96/599248096.db2.gz CTYLMDJWDFBCFV-YJBOKZPZSA-N -1 3 391.475 3.733 20 0 GHADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501504 599248098 /nfs/dbraw/zinc/24/80/98/599248098.db2.gz CTYLMDJWDFBCFV-YJBOKZPZSA-N -1 3 391.475 3.733 20 0 GHADHM O=C(/C=C\C1CCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000737794249 599249163 /nfs/dbraw/zinc/24/91/63/599249163.db2.gz CEFRVCSJTARYMN-FLIBITNWSA-N -1 3 393.413 3.894 20 0 GHADHM O=C(/C=C\C1CCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000737794249 599249165 /nfs/dbraw/zinc/24/91/65/599249165.db2.gz CEFRVCSJTARYMN-FLIBITNWSA-N -1 3 393.413 3.894 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084901 607280554 /nfs/dbraw/zinc/28/05/54/607280554.db2.gz RUVYPHOQABHTIC-DOTOQJQBSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084901 607280555 /nfs/dbraw/zinc/28/05/55/607280555.db2.gz RUVYPHOQABHTIC-DOTOQJQBSA-N -1 3 376.464 3.660 20 0 GHADHM COc1cccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)c1 ZINC000737132440 599255142 /nfs/dbraw/zinc/25/51/42/599255142.db2.gz XWXAAMSXWLCSQR-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM COc1cccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)c1 ZINC000737132440 599255144 /nfs/dbraw/zinc/25/51/44/599255144.db2.gz XWXAAMSXWLCSQR-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM COc1cccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000737131451 599255268 /nfs/dbraw/zinc/25/52/68/599255268.db2.gz PKNHNPNQAYQGQK-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM COc1cccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1 ZINC000737131451 599255270 /nfs/dbraw/zinc/25/52/70/599255270.db2.gz PKNHNPNQAYQGQK-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379719 599256725 /nfs/dbraw/zinc/25/67/25/599256725.db2.gz FELRMBOLJPNUFV-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379719 599256726 /nfs/dbraw/zinc/25/67/26/599256726.db2.gz FELRMBOLJPNUFV-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)cc1 ZINC000822234595 607285065 /nfs/dbraw/zinc/28/50/65/607285065.db2.gz AQKLSDVUPRBBFL-SFHVURJKSA-N -1 3 390.491 3.970 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)cc1 ZINC000822234595 607285066 /nfs/dbraw/zinc/28/50/66/607285066.db2.gz AQKLSDVUPRBBFL-SFHVURJKSA-N -1 3 390.491 3.970 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822089498 607289856 /nfs/dbraw/zinc/28/98/56/607289856.db2.gz CXRJWEOWTHBBMA-IAQYHMDHSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822089498 607289857 /nfs/dbraw/zinc/28/98/57/607289857.db2.gz CXRJWEOWTHBBMA-IAQYHMDHSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822083539 607292153 /nfs/dbraw/zinc/29/21/53/607292153.db2.gz CAQRJHDLBCEJNR-IBGZPJMESA-N -1 3 391.479 3.610 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822083539 607292154 /nfs/dbraw/zinc/29/21/54/607292154.db2.gz CAQRJHDLBCEJNR-IBGZPJMESA-N -1 3 391.479 3.610 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000822351031 607292830 /nfs/dbraw/zinc/29/28/30/607292830.db2.gz KCOCUHKOQYOAPK-HOCLYGCPSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000822351031 607292831 /nfs/dbraw/zinc/29/28/31/607292831.db2.gz KCOCUHKOQYOAPK-HOCLYGCPSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CCOc1ccccc1F ZINC000737261888 599262698 /nfs/dbraw/zinc/26/26/98/599262698.db2.gz BWPOQRCNAOJURR-UHFFFAOYSA-N -1 3 396.401 3.517 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CCOc1ccccc1F ZINC000737261888 599262700 /nfs/dbraw/zinc/26/27/00/599262700.db2.gz BWPOQRCNAOJURR-UHFFFAOYSA-N -1 3 396.401 3.517 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000821761660 599271750 /nfs/dbraw/zinc/27/17/50/599271750.db2.gz DSYJTRBWJNALOJ-WMLDXEAASA-N -1 3 392.463 3.533 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000821761660 599271752 /nfs/dbraw/zinc/27/17/52/599271752.db2.gz DSYJTRBWJNALOJ-WMLDXEAASA-N -1 3 392.463 3.533 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000736489437 599275378 /nfs/dbraw/zinc/27/53/78/599275378.db2.gz ZTQJCPQNCOLWTA-UHFFFAOYSA-N -1 3 382.493 3.881 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1F ZINC000736488769 599277418 /nfs/dbraw/zinc/27/74/18/599277418.db2.gz SNAFGNQWZHDDPL-ZDUSSCGKSA-N -1 3 382.443 3.960 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821970003 599277587 /nfs/dbraw/zinc/27/75/87/599277587.db2.gz IONMDVICWMVUNE-CYBMUJFWSA-N -1 3 382.493 3.655 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821970003 599277588 /nfs/dbraw/zinc/27/75/88/599277588.db2.gz IONMDVICWMVUNE-CYBMUJFWSA-N -1 3 382.493 3.655 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000737292173 599281245 /nfs/dbraw/zinc/28/12/45/599281245.db2.gz SUGBYSWZYSPMSR-IBGZPJMESA-N -1 3 391.479 3.610 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000737292173 599281248 /nfs/dbraw/zinc/28/12/48/599281248.db2.gz SUGBYSWZYSPMSR-IBGZPJMESA-N -1 3 391.479 3.610 20 0 GHADHM C[C@H](Sc1nnc(NCc2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191855 599286881 /nfs/dbraw/zinc/28/68/81/599286881.db2.gz JELGKTZXFCJPQS-JTQLQIEISA-N -1 3 385.478 3.777 20 0 GHADHM C[C@H](Sc1nnc(NCc2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191855 599286883 /nfs/dbraw/zinc/28/68/83/599286883.db2.gz JELGKTZXFCJPQS-JTQLQIEISA-N -1 3 385.478 3.777 20 0 GHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820981234 599289119 /nfs/dbraw/zinc/28/91/19/599289119.db2.gz PQLAPPCIPWQAJW-LLVKDONJSA-N -1 3 382.390 3.930 20 0 GHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820981234 599289122 /nfs/dbraw/zinc/28/91/22/599289122.db2.gz PQLAPPCIPWQAJW-LLVKDONJSA-N -1 3 382.390 3.930 20 0 GHADHM Cc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1-c1nnn[n-]1 ZINC000822108687 607322064 /nfs/dbraw/zinc/32/20/64/607322064.db2.gz KNUGOSINAMZTOF-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cccc1-c1nn[n-]n1 ZINC000822108687 607322065 /nfs/dbraw/zinc/32/20/65/607322065.db2.gz KNUGOSINAMZTOF-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821461739 599291723 /nfs/dbraw/zinc/29/17/23/599291723.db2.gz SFFQMYBDEZNGSS-SECBINFHSA-N -1 3 388.419 3.539 20 0 GHADHM CCSCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821461739 599291724 /nfs/dbraw/zinc/29/17/24/599291724.db2.gz SFFQMYBDEZNGSS-SECBINFHSA-N -1 3 388.419 3.539 20 0 GHADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000736295724 598238897 /nfs/dbraw/zinc/23/88/97/598238897.db2.gz WXCBPLMCWIEFBO-TXEJJXNPSA-N -1 3 386.406 3.502 20 0 GHADHM C[C@@H]1CN(c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000736295724 598238898 /nfs/dbraw/zinc/23/88/98/598238898.db2.gz WXCBPLMCWIEFBO-TXEJJXNPSA-N -1 3 386.406 3.502 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738151584 598256603 /nfs/dbraw/zinc/25/66/03/598256603.db2.gz JOGUGFVFGFQRRG-GOSISDBHSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738151584 598256604 /nfs/dbraw/zinc/25/66/04/598256604.db2.gz JOGUGFVFGFQRRG-GOSISDBHSA-N -1 3 380.427 3.635 20 0 GHADHM CCC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccn1 ZINC000736431431 598270665 /nfs/dbraw/zinc/27/06/65/598270665.db2.gz FRRFERDJQDHSQC-IBGZPJMESA-N -1 3 393.495 3.723 20 0 GHADHM CCC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccn1 ZINC000736431431 598270666 /nfs/dbraw/zinc/27/06/66/598270666.db2.gz FRRFERDJQDHSQC-IBGZPJMESA-N -1 3 393.495 3.723 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)Nc2ccccc2Cl)n1 ZINC000737239187 598271357 /nfs/dbraw/zinc/27/13/57/598271357.db2.gz ACHCEEMBSGJTDW-LLVKDONJSA-N -1 3 388.884 3.651 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)Nc2ccccc2Cl)n1 ZINC000737239187 598271359 /nfs/dbraw/zinc/27/13/59/598271359.db2.gz ACHCEEMBSGJTDW-LLVKDONJSA-N -1 3 388.884 3.651 20 0 GHADHM C[C@@H](Nc1ccc2scnc2c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736135602 598273395 /nfs/dbraw/zinc/27/33/95/598273395.db2.gz CIFDOFHQWZXSOU-SECBINFHSA-N -1 3 399.867 3.569 20 0 GHADHM C[C@@H](Nc1ccc2scnc2c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736135602 598273396 /nfs/dbraw/zinc/27/33/96/598273396.db2.gz CIFDOFHQWZXSOU-SECBINFHSA-N -1 3 399.867 3.569 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735994457 598276148 /nfs/dbraw/zinc/27/61/48/598276148.db2.gz YKJDHRDMSJWYNX-CQSZACIVSA-N -1 3 381.484 3.566 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735994457 598276149 /nfs/dbraw/zinc/27/61/49/598276149.db2.gz YKJDHRDMSJWYNX-CQSZACIVSA-N -1 3 381.484 3.566 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113403 598283451 /nfs/dbraw/zinc/28/34/51/598283451.db2.gz NEEAXNVHTFALMM-IFXJQAMLSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113403 598283452 /nfs/dbraw/zinc/28/34/52/598283452.db2.gz NEEAXNVHTFALMM-IFXJQAMLSA-N -1 3 376.464 3.695 20 0 GHADHM c1cnn(-c2ccc(CSCCCOc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000738448392 598285562 /nfs/dbraw/zinc/28/55/62/598285562.db2.gz OVQIAIPCQLLIJA-UHFFFAOYSA-N -1 3 392.488 3.755 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000823690931 607347562 /nfs/dbraw/zinc/34/75/62/607347562.db2.gz YLUSHFRXGHWJQC-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000823690931 607347564 /nfs/dbraw/zinc/34/75/64/607347564.db2.gz YLUSHFRXGHWJQC-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736173873 598295789 /nfs/dbraw/zinc/29/57/89/598295789.db2.gz KAMCLFLHBCESPD-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736173873 598295790 /nfs/dbraw/zinc/29/57/90/598295790.db2.gz KAMCLFLHBCESPD-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328334 598297172 /nfs/dbraw/zinc/29/71/72/598297172.db2.gz OFVHQQGJRAIPDI-QKMFHXBFSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328334 598297174 /nfs/dbraw/zinc/29/71/74/598297174.db2.gz OFVHQQGJRAIPDI-QKMFHXBFSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736325588 598297237 /nfs/dbraw/zinc/29/72/37/598297237.db2.gz FTWPXYUWXXTACY-VUSFMPOISA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736325588 598297239 /nfs/dbraw/zinc/29/72/39/598297239.db2.gz FTWPXYUWXXTACY-VUSFMPOISA-N -1 3 391.475 3.716 20 0 GHADHM S=C(NCCCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401538 598319752 /nfs/dbraw/zinc/31/97/52/598319752.db2.gz RIABYNNIEGBMJN-UHFFFAOYSA-N -1 3 386.912 3.829 20 0 GHADHM S=C(NCCCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401538 598319754 /nfs/dbraw/zinc/31/97/54/598319754.db2.gz RIABYNNIEGBMJN-UHFFFAOYSA-N -1 3 386.912 3.829 20 0 GHADHM Fc1ccc2c(c1)CCCN2C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737667351 598320564 /nfs/dbraw/zinc/32/05/64/598320564.db2.gz PMRGJDQKLVPPII-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM Fc1ccc2c(c1)CCCN2C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737667351 598320566 /nfs/dbraw/zinc/32/05/66/598320566.db2.gz PMRGJDQKLVPPII-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM C[C@H](Cc1ccccc1F)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736065198 598322081 /nfs/dbraw/zinc/32/20/81/598322081.db2.gz AOBNDTQDERDZDD-SNVBAGLBSA-N -1 3 390.875 3.577 20 0 GHADHM C[C@H](Cc1ccccc1F)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736065198 598322082 /nfs/dbraw/zinc/32/20/82/598322082.db2.gz AOBNDTQDERDZDD-SNVBAGLBSA-N -1 3 390.875 3.577 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1F ZINC000736507453 598323577 /nfs/dbraw/zinc/32/35/77/598323577.db2.gz CXZLMHNMKTUWFS-UHFFFAOYSA-N -1 3 376.848 3.883 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1F ZINC000736507453 598323579 /nfs/dbraw/zinc/32/35/79/598323579.db2.gz CXZLMHNMKTUWFS-UHFFFAOYSA-N -1 3 376.848 3.883 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2n[nH]cc21 ZINC000737361165 598324315 /nfs/dbraw/zinc/32/43/15/598324315.db2.gz VJDZUBMULINGME-UHFFFAOYSA-N -1 3 384.856 3.514 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2n[nH]cc21 ZINC000737361165 598324316 /nfs/dbraw/zinc/32/43/16/598324316.db2.gz VJDZUBMULINGME-UHFFFAOYSA-N -1 3 384.856 3.514 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000738400494 598325055 /nfs/dbraw/zinc/32/50/55/598325055.db2.gz DOSFVBRNWRUZKV-CYBMUJFWSA-N -1 3 384.896 3.706 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000738400494 598325057 /nfs/dbraw/zinc/32/50/57/598325057.db2.gz DOSFVBRNWRUZKV-CYBMUJFWSA-N -1 3 384.896 3.706 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737361159 598325888 /nfs/dbraw/zinc/32/58/88/598325888.db2.gz USFOJSOLVKWPKW-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737361159 598325891 /nfs/dbraw/zinc/32/58/91/598325891.db2.gz USFOJSOLVKWPKW-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735651892 598375125 /nfs/dbraw/zinc/37/51/25/598375125.db2.gz XZHANLQNXUKOTF-LJQANCHMSA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735651892 598375126 /nfs/dbraw/zinc/37/51/26/598375126.db2.gz XZHANLQNXUKOTF-LJQANCHMSA-N -1 3 394.475 3.721 20 0 GHADHM S=C(NCC1(c2ccc(Cl)cc2)CCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000738400798 598379365 /nfs/dbraw/zinc/37/93/65/598379365.db2.gz JZWWMDMJTODALG-UHFFFAOYSA-N -1 3 398.923 3.928 20 0 GHADHM S=C(NCC1(c2ccc(Cl)cc2)CCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000738400798 598379367 /nfs/dbraw/zinc/37/93/67/598379367.db2.gz JZWWMDMJTODALG-UHFFFAOYSA-N -1 3 398.923 3.928 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000735838157 598393490 /nfs/dbraw/zinc/39/34/90/598393490.db2.gz OLPBNANWBBBJRQ-UHFFFAOYSA-N -1 3 397.504 3.633 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000735838157 598393491 /nfs/dbraw/zinc/39/34/91/598393491.db2.gz OLPBNANWBBBJRQ-UHFFFAOYSA-N -1 3 397.504 3.633 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC1 ZINC000736211634 598412794 /nfs/dbraw/zinc/41/27/94/598412794.db2.gz QVRYRXSWTJJRJT-UHFFFAOYSA-N -1 3 393.451 3.708 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000737287081 598418323 /nfs/dbraw/zinc/41/83/23/598418323.db2.gz BOSXGYWUNYOVOO-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000737287081 598418326 /nfs/dbraw/zinc/41/83/26/598418326.db2.gz BOSXGYWUNYOVOO-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738211914 598419090 /nfs/dbraw/zinc/41/90/90/598419090.db2.gz AJBGSHPMMQOYCR-SFHVURJKSA-N -1 3 391.818 3.862 20 0 GHADHM O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738211914 598419092 /nfs/dbraw/zinc/41/90/92/598419092.db2.gz AJBGSHPMMQOYCR-SFHVURJKSA-N -1 3 391.818 3.862 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737152588 598421158 /nfs/dbraw/zinc/42/11/58/598421158.db2.gz KKDYUUHVBMKXJX-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737152588 598421160 /nfs/dbraw/zinc/42/11/60/598421160.db2.gz KKDYUUHVBMKXJX-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000736182973 598422361 /nfs/dbraw/zinc/42/23/61/598422361.db2.gz IIMSUQNJJYYVSO-QWHCGFSZSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000736182973 598422363 /nfs/dbraw/zinc/42/23/63/598422363.db2.gz IIMSUQNJJYYVSO-QWHCGFSZSA-N -1 3 393.472 3.726 20 0 GHADHM COc1c(C)ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1C ZINC000737023328 598427016 /nfs/dbraw/zinc/42/70/16/598427016.db2.gz KTFFQAQGOFCYJB-UHFFFAOYSA-N -1 3 394.479 3.935 20 0 GHADHM COc1c(C)ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1C ZINC000737023328 598427018 /nfs/dbraw/zinc/42/70/18/598427018.db2.gz KTFFQAQGOFCYJB-UHFFFAOYSA-N -1 3 394.479 3.935 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000735875532 598427844 /nfs/dbraw/zinc/42/78/44/598427844.db2.gz VHAPLLKFGCDJMN-FQEVSTJZSA-N -1 3 390.491 3.938 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000735875532 598427846 /nfs/dbraw/zinc/42/78/46/598427846.db2.gz VHAPLLKFGCDJMN-FQEVSTJZSA-N -1 3 390.491 3.938 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000735986736 598429927 /nfs/dbraw/zinc/42/99/27/598429927.db2.gz PQMACFHBJQOTSZ-QGZVFWFLSA-N -1 3 392.507 3.981 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000735986736 598429929 /nfs/dbraw/zinc/42/99/29/598429929.db2.gz PQMACFHBJQOTSZ-QGZVFWFLSA-N -1 3 392.507 3.981 20 0 GHADHM COc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000737073475 598443154 /nfs/dbraw/zinc/44/31/54/598443154.db2.gz RSIZAPZOASZXGC-INIZCTEOSA-N -1 3 393.491 3.664 20 0 GHADHM COc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000737073475 598443155 /nfs/dbraw/zinc/44/31/55/598443155.db2.gz RSIZAPZOASZXGC-INIZCTEOSA-N -1 3 393.491 3.664 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC000736259426 598449464 /nfs/dbraw/zinc/44/94/64/598449464.db2.gz FDLLNLXTRDZWLS-KSSFIOAISA-N -1 3 392.463 3.609 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC000736259426 598449465 /nfs/dbraw/zinc/44/94/65/598449465.db2.gz FDLLNLXTRDZWLS-KSSFIOAISA-N -1 3 392.463 3.609 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738320232 598451041 /nfs/dbraw/zinc/45/10/41/598451041.db2.gz WCEXQEAWFJUYPN-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738320232 598451042 /nfs/dbraw/zinc/45/10/42/598451042.db2.gz WCEXQEAWFJUYPN-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM Fc1ccc([C@@H]2CN(c3c(F)cc(-c4nnn[n-]4)cc3F)CCO2)cc1Cl ZINC000737647030 598458036 /nfs/dbraw/zinc/45/80/36/598458036.db2.gz CHNJBGXONIYDTL-HNNXBMFYSA-N -1 3 395.772 3.515 20 0 GHADHM Fc1ccc([C@@H]2CN(c3c(F)cc(-c4nn[n-]n4)cc3F)CCO2)cc1Cl ZINC000737647030 598458037 /nfs/dbraw/zinc/45/80/37/598458037.db2.gz CHNJBGXONIYDTL-HNNXBMFYSA-N -1 3 395.772 3.515 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000738177586 598472300 /nfs/dbraw/zinc/47/23/00/598472300.db2.gz AFIYVWABKGCZMT-UHFFFAOYSA-N -1 3 383.843 3.764 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000738177586 598472301 /nfs/dbraw/zinc/47/23/01/598472301.db2.gz AFIYVWABKGCZMT-UHFFFAOYSA-N -1 3 383.843 3.764 20 0 GHADHM CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736624857 598476411 /nfs/dbraw/zinc/47/64/11/598476411.db2.gz IUFGBBHEJYDCLJ-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736624857 598476413 /nfs/dbraw/zinc/47/64/13/598476413.db2.gz IUFGBBHEJYDCLJ-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CSCc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737180602 598476865 /nfs/dbraw/zinc/47/68/65/598476865.db2.gz DKFULPDZYDOJGK-UHFFFAOYSA-N -1 3 394.504 3.926 20 0 GHADHM CSCc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737180602 598476867 /nfs/dbraw/zinc/47/68/67/598476867.db2.gz DKFULPDZYDOJGK-UHFFFAOYSA-N -1 3 394.504 3.926 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000736689471 598478081 /nfs/dbraw/zinc/47/80/81/598478081.db2.gz XCYTUGQCLZNDHC-HNNXBMFYSA-N -1 3 390.491 3.864 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000736689471 598478083 /nfs/dbraw/zinc/47/80/83/598478083.db2.gz XCYTUGQCLZNDHC-HNNXBMFYSA-N -1 3 390.491 3.864 20 0 GHADHM O=C(N[C@H](c1cccs1)C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737999451 598478638 /nfs/dbraw/zinc/47/86/38/598478638.db2.gz ACYAFWUOSAHPGM-SFHVURJKSA-N -1 3 394.504 3.754 20 0 GHADHM O=C(N[C@H](c1cccs1)C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737999451 598478639 /nfs/dbraw/zinc/47/86/39/598478639.db2.gz ACYAFWUOSAHPGM-SFHVURJKSA-N -1 3 394.504 3.754 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158835 598484935 /nfs/dbraw/zinc/48/49/35/598484935.db2.gz JXKARPWZNSRNDN-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158835 598484936 /nfs/dbraw/zinc/48/49/36/598484936.db2.gz JXKARPWZNSRNDN-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737952948 598487807 /nfs/dbraw/zinc/48/78/07/598487807.db2.gz FOPDPUMIBXPLSR-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737952948 598487809 /nfs/dbraw/zinc/48/78/09/598487809.db2.gz FOPDPUMIBXPLSR-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736183492 598488172 /nfs/dbraw/zinc/48/81/72/598488172.db2.gz SGQHNMKLBPKGIP-CQSZACIVSA-N -1 3 396.495 3.953 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736183492 598488174 /nfs/dbraw/zinc/48/81/74/598488174.db2.gz SGQHNMKLBPKGIP-CQSZACIVSA-N -1 3 396.495 3.953 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147098 598488442 /nfs/dbraw/zinc/48/84/42/598488442.db2.gz ANXDSOQLOCESCA-BZYZDCJZSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147098 598488444 /nfs/dbraw/zinc/48/84/44/598488444.db2.gz ANXDSOQLOCESCA-BZYZDCJZSA-N -1 3 377.429 3.794 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737548162 598490363 /nfs/dbraw/zinc/49/03/63/598490363.db2.gz NWHWGPMQGFYQOB-CYBMUJFWSA-N -1 3 389.415 3.677 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737548162 598490364 /nfs/dbraw/zinc/49/03/64/598490364.db2.gz NWHWGPMQGFYQOB-CYBMUJFWSA-N -1 3 389.415 3.677 20 0 GHADHM CCn1cc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c2ccccc21 ZINC000736721045 598491277 /nfs/dbraw/zinc/49/12/77/598491277.db2.gz AMFXSPKWXVDZAX-UHFFFAOYSA-N -1 3 391.479 3.579 20 0 GHADHM CCn1cc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c2ccccc21 ZINC000736721045 598491279 /nfs/dbraw/zinc/49/12/79/598491279.db2.gz AMFXSPKWXVDZAX-UHFFFAOYSA-N -1 3 391.479 3.579 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737306545 598507577 /nfs/dbraw/zinc/50/75/77/598507577.db2.gz CNQDVXSAGUEUMA-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737306545 598507579 /nfs/dbraw/zinc/50/75/79/598507579.db2.gz CNQDVXSAGUEUMA-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM CCc1c(C)sc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000736670383 598518511 /nfs/dbraw/zinc/51/85/11/598518511.db2.gz OHMZDHPCLDOCLH-UHFFFAOYSA-N -1 3 389.456 3.734 20 0 GHADHM CCc1c(C)sc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000736670383 598518512 /nfs/dbraw/zinc/51/85/12/598518512.db2.gz OHMZDHPCLDOCLH-UHFFFAOYSA-N -1 3 389.456 3.734 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736425196 598527088 /nfs/dbraw/zinc/52/70/88/598527088.db2.gz FNKWXGKYCPQVHF-DNVCBOLYSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736425196 598527089 /nfs/dbraw/zinc/52/70/89/598527089.db2.gz FNKWXGKYCPQVHF-DNVCBOLYSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736239820 598532735 /nfs/dbraw/zinc/53/27/35/598532735.db2.gz UHGQHZCMNOKLPN-BONVTDFDSA-N -1 3 384.827 3.842 20 0 GHADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736239820 598532736 /nfs/dbraw/zinc/53/27/36/598532736.db2.gz UHGQHZCMNOKLPN-BONVTDFDSA-N -1 3 384.827 3.842 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736247122 598540059 /nfs/dbraw/zinc/54/00/59/598540059.db2.gz ADQXXLAIGVRKOO-HUUCEWRRSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236536 598541818 /nfs/dbraw/zinc/54/18/18/598541818.db2.gz RYRSDYUETKLOME-IAQYHMDHSA-N -1 3 383.839 3.694 20 0 GHADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236536 598541819 /nfs/dbraw/zinc/54/18/19/598541819.db2.gz RYRSDYUETKLOME-IAQYHMDHSA-N -1 3 383.839 3.694 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000735446743 598542842 /nfs/dbraw/zinc/54/28/42/598542842.db2.gz DLIUWHRGUMPSGY-SDNWHVSQSA-N -1 3 375.432 3.741 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000735446743 598542844 /nfs/dbraw/zinc/54/28/44/598542844.db2.gz DLIUWHRGUMPSGY-SDNWHVSQSA-N -1 3 375.432 3.741 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(C(F)F)cc1 ZINC000738147553 598544729 /nfs/dbraw/zinc/54/47/29/598544729.db2.gz ZRFJAYMABZQAPE-UHFFFAOYSA-N -1 3 381.289 3.658 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(C(F)F)cc1 ZINC000738147553 598544730 /nfs/dbraw/zinc/54/47/30/598544730.db2.gz ZRFJAYMABZQAPE-UHFFFAOYSA-N -1 3 381.289 3.658 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736792634 598548182 /nfs/dbraw/zinc/54/81/82/598548182.db2.gz GEVPZRKQQDWLOF-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CCCCC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736441560 598555966 /nfs/dbraw/zinc/55/59/66/598555966.db2.gz SJTZUYNNNSCMPP-IBGZPJMESA-N -1 3 378.480 3.988 20 0 GHADHM CCCCC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736441560 598555968 /nfs/dbraw/zinc/55/59/68/598555968.db2.gz SJTZUYNNNSCMPP-IBGZPJMESA-N -1 3 378.480 3.988 20 0 GHADHM CCn1cnc2c1ncnc2Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736721926 598556316 /nfs/dbraw/zinc/55/63/16/598556316.db2.gz KPBJMIBKFXCHQS-UHFFFAOYSA-N -1 3 399.418 3.562 20 0 GHADHM CCn1cnc2c1ncnc2Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736721926 598556318 /nfs/dbraw/zinc/55/63/18/598556318.db2.gz KPBJMIBKFXCHQS-UHFFFAOYSA-N -1 3 399.418 3.562 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N[C@H](C)C1CC1 ZINC000737280895 598559117 /nfs/dbraw/zinc/55/91/17/598559117.db2.gz UYNUSCDMNRURET-CQSZACIVSA-N -1 3 392.463 3.674 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N[C@H](C)C1CC1 ZINC000737280895 598559119 /nfs/dbraw/zinc/55/91/19/598559119.db2.gz UYNUSCDMNRURET-CQSZACIVSA-N -1 3 392.463 3.674 20 0 GHADHM O=C(Cc1cccc(O)c1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737969639 598564752 /nfs/dbraw/zinc/56/47/52/598564752.db2.gz QLLSTJNKKILGRC-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Cc1cccc(O)c1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737969639 598564753 /nfs/dbraw/zinc/56/47/53/598564753.db2.gz QLLSTJNKKILGRC-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM Brc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000735369841 598567573 /nfs/dbraw/zinc/56/75/73/598567573.db2.gz YBRGQIGOYXACAP-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Brc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000735369841 598567575 /nfs/dbraw/zinc/56/75/75/598567575.db2.gz YBRGQIGOYXACAP-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503242 598567886 /nfs/dbraw/zinc/56/78/86/598567886.db2.gz UQSFQFCIBWXEIP-CSMYWGQOSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503242 598567888 /nfs/dbraw/zinc/56/78/88/598567888.db2.gz UQSFQFCIBWXEIP-CSMYWGQOSA-N -1 3 397.429 3.858 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2CCN(c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737633231 598575832 /nfs/dbraw/zinc/57/58/32/598575832.db2.gz PICMPSKRYZZZBF-CYBMUJFWSA-N -1 3 388.397 3.824 20 0 GHADHM FC(F)(F)c1cc(NC[C@H]2CCN(c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737633231 598575835 /nfs/dbraw/zinc/57/58/35/598575835.db2.gz PICMPSKRYZZZBF-CYBMUJFWSA-N -1 3 388.397 3.824 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2ccccc2F)n1 ZINC000738165210 598585588 /nfs/dbraw/zinc/58/55/88/598585588.db2.gz GTJOGJYRPMFTSN-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccccc2F)n1 ZINC000738165210 598585590 /nfs/dbraw/zinc/58/55/90/598585590.db2.gz GTJOGJYRPMFTSN-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000737852167 598586748 /nfs/dbraw/zinc/58/67/48/598586748.db2.gz DDVBOXGKDGYCNO-UHFFFAOYSA-N -1 3 392.850 3.882 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000737852167 598586750 /nfs/dbraw/zinc/58/67/50/598586750.db2.gz DDVBOXGKDGYCNO-UHFFFAOYSA-N -1 3 392.850 3.882 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737464622 598589427 /nfs/dbraw/zinc/58/94/27/598589427.db2.gz QYTJFHDNUCUCHJ-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737464622 598589428 /nfs/dbraw/zinc/58/94/28/598589428.db2.gz QYTJFHDNUCUCHJ-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@@H]1CC=CCC1 ZINC000738171554 598594446 /nfs/dbraw/zinc/59/44/46/598594446.db2.gz FWGYPMVUJBZFRM-OAHLLOKOSA-N -1 3 393.422 3.880 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@@H]1CC=CCC1 ZINC000738171554 598594448 /nfs/dbraw/zinc/59/44/48/598594448.db2.gz FWGYPMVUJBZFRM-OAHLLOKOSA-N -1 3 393.422 3.880 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000738166639 598599786 /nfs/dbraw/zinc/59/97/86/598599786.db2.gz KVCOIGHLIPUHCY-UHFFFAOYSA-N -1 3 390.787 3.628 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000738166639 598599788 /nfs/dbraw/zinc/59/97/88/598599788.db2.gz KVCOIGHLIPUHCY-UHFFFAOYSA-N -1 3 390.787 3.628 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736694994 598600673 /nfs/dbraw/zinc/60/06/73/598600673.db2.gz FYRWZBYYQVAZPQ-ZDUSSCGKSA-N -1 3 375.432 3.757 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736694994 598600675 /nfs/dbraw/zinc/60/06/75/598600675.db2.gz FYRWZBYYQVAZPQ-ZDUSSCGKSA-N -1 3 375.432 3.757 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737851274 598609764 /nfs/dbraw/zinc/60/97/64/598609764.db2.gz FUNQRIWMIKTEKI-LEWJYISDSA-N -1 3 389.503 3.717 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000737851274 598609766 /nfs/dbraw/zinc/60/97/66/598609766.db2.gz FUNQRIWMIKTEKI-LEWJYISDSA-N -1 3 389.503 3.717 20 0 GHADHM CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735790268 598610844 /nfs/dbraw/zinc/61/08/44/598610844.db2.gz YVNPEIFTPOGFNC-CQSZACIVSA-N -1 3 399.455 3.529 20 0 GHADHM CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735790268 598610845 /nfs/dbraw/zinc/61/08/45/598610845.db2.gz YVNPEIFTPOGFNC-CQSZACIVSA-N -1 3 399.455 3.529 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737451373 598622823 /nfs/dbraw/zinc/62/28/23/598622823.db2.gz BPVFONSXRCTHEK-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737451373 598622825 /nfs/dbraw/zinc/62/28/25/598622825.db2.gz BPVFONSXRCTHEK-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000736115241 598623752 /nfs/dbraw/zinc/62/37/52/598623752.db2.gz GHIQHFSHLQPBKM-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736115241 598623753 /nfs/dbraw/zinc/62/37/53/598623753.db2.gz GHIQHFSHLQPBKM-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000737573970 598630545 /nfs/dbraw/zinc/63/05/45/598630545.db2.gz IMQKGQMZWKRLAI-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000737573970 598630547 /nfs/dbraw/zinc/63/05/47/598630547.db2.gz IMQKGQMZWKRLAI-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735497093 598642576 /nfs/dbraw/zinc/64/25/76/598642576.db2.gz OETMPDFKLFJHOY-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735497093 598642578 /nfs/dbraw/zinc/64/25/78/598642578.db2.gz OETMPDFKLFJHOY-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1C ZINC000737363914 598645037 /nfs/dbraw/zinc/64/50/37/598645037.db2.gz GPINSHJXEXMIRE-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1C ZINC000737363914 598645039 /nfs/dbraw/zinc/64/50/39/598645039.db2.gz GPINSHJXEXMIRE-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1F ZINC000737833148 598645446 /nfs/dbraw/zinc/64/54/46/598645446.db2.gz PIHWPPHDVCGSOC-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1F ZINC000737833148 598645448 /nfs/dbraw/zinc/64/54/48/598645448.db2.gz PIHWPPHDVCGSOC-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM CO[C@@H]1CCC[C@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736962854 598647514 /nfs/dbraw/zinc/64/75/14/598647514.db2.gz RNMPCFNHPKKIRD-MJGOQNOKSA-N -1 3 394.431 3.773 20 0 GHADHM CO[C@@H]1CCC[C@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736962854 598647516 /nfs/dbraw/zinc/64/75/16/598647516.db2.gz RNMPCFNHPKKIRD-MJGOQNOKSA-N -1 3 394.431 3.773 20 0 GHADHM CC1CCC(N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736239568 598647875 /nfs/dbraw/zinc/64/78/75/598647875.db2.gz GWKJSPZNRNZWEQ-UHFFFAOYSA-N -1 3 392.463 3.705 20 0 GHADHM CC1CCC(N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736239568 598647877 /nfs/dbraw/zinc/64/78/77/598647877.db2.gz GWKJSPZNRNZWEQ-UHFFFAOYSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735873949 598648207 /nfs/dbraw/zinc/64/82/07/598648207.db2.gz KBQVMJXNMXSSQK-UHFFFAOYSA-N -1 3 393.491 3.853 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735873949 598648208 /nfs/dbraw/zinc/64/82/08/598648208.db2.gz KBQVMJXNMXSSQK-UHFFFAOYSA-N -1 3 393.491 3.853 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735963174 598649415 /nfs/dbraw/zinc/64/94/15/598649415.db2.gz BFXBPKSBWBFTBD-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735963174 598649416 /nfs/dbraw/zinc/64/94/16/598649416.db2.gz BFXBPKSBWBFTBD-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736048927 598649971 /nfs/dbraw/zinc/64/99/71/598649971.db2.gz YBKPJPXMJWAOJY-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736048927 598649972 /nfs/dbraw/zinc/64/99/72/598649972.db2.gz YBKPJPXMJWAOJY-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000735874029 598650964 /nfs/dbraw/zinc/65/09/64/598650964.db2.gz LILXUBADQXBQED-UHFFFAOYSA-N -1 3 386.459 3.913 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000735874029 598650966 /nfs/dbraw/zinc/65/09/66/598650966.db2.gz LILXUBADQXBQED-UHFFFAOYSA-N -1 3 386.459 3.913 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737425092 598652158 /nfs/dbraw/zinc/65/21/58/598652158.db2.gz YWWWPDVUXIPOQT-QGZVFWFLSA-N -1 3 393.491 3.944 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737425092 598652161 /nfs/dbraw/zinc/65/21/61/598652161.db2.gz YWWWPDVUXIPOQT-QGZVFWFLSA-N -1 3 393.491 3.944 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737319913 598652166 /nfs/dbraw/zinc/65/21/66/598652166.db2.gz HFKGROADMYJAHI-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737319913 598652168 /nfs/dbraw/zinc/65/21/68/598652168.db2.gz HFKGROADMYJAHI-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCCC1CCCCC1 ZINC000737833670 598653680 /nfs/dbraw/zinc/65/36/80/598653680.db2.gz ZVFXVZDLWHQCHH-UHFFFAOYSA-N -1 3 385.512 3.893 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCCC1CCCCC1 ZINC000737833670 598653682 /nfs/dbraw/zinc/65/36/82/598653682.db2.gz ZVFXVZDLWHQCHH-UHFFFAOYSA-N -1 3 385.512 3.893 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCOc2ccccc21 ZINC000738272391 598654284 /nfs/dbraw/zinc/65/42/84/598654284.db2.gz CRBPBXKHTNUHLW-UHFFFAOYSA-N -1 3 399.410 3.698 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCOc2ccccc21 ZINC000738272391 598654286 /nfs/dbraw/zinc/65/42/86/598654286.db2.gz CRBPBXKHTNUHLW-UHFFFAOYSA-N -1 3 399.410 3.698 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ncc(-c2ccccc2)s1 ZINC000737949073 598654598 /nfs/dbraw/zinc/65/45/98/598654598.db2.gz WIWOAZGQDHQMOY-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ncc(-c2ccccc2)s1 ZINC000737949073 598654600 /nfs/dbraw/zinc/65/46/00/598654600.db2.gz WIWOAZGQDHQMOY-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736247353 598654679 /nfs/dbraw/zinc/65/46/79/598654679.db2.gz BXXJEDMWCMWGIY-CABCVRRESA-N -1 3 392.463 3.610 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736247353 598654680 /nfs/dbraw/zinc/65/46/80/598654680.db2.gz BXXJEDMWCMWGIY-CABCVRRESA-N -1 3 392.463 3.610 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274359 598654717 /nfs/dbraw/zinc/65/47/17/598654717.db2.gz UNENMLKZXDTSAO-HOCLYGCPSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274359 598654718 /nfs/dbraw/zinc/65/47/18/598654718.db2.gz UNENMLKZXDTSAO-HOCLYGCPSA-N -1 3 392.463 3.610 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(N2CCCCC2)c1 ZINC000737946407 598656419 /nfs/dbraw/zinc/65/64/19/598656419.db2.gz FIUFMSPSYPHNNW-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(N2CCCCC2)c1 ZINC000737946407 598656420 /nfs/dbraw/zinc/65/64/20/598656420.db2.gz FIUFMSPSYPHNNW-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM O=C(Oc1cc(F)cc(F)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738252317 598656570 /nfs/dbraw/zinc/65/65/70/598656570.db2.gz ZMZJWSKELDJEER-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM O=C(Oc1cc(F)cc(F)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738252317 598656572 /nfs/dbraw/zinc/65/65/72/598656572.db2.gz ZMZJWSKELDJEER-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737291156 598657548 /nfs/dbraw/zinc/65/75/48/598657548.db2.gz IIZHBTLTZFWXLA-CQSZACIVSA-N -1 3 375.354 3.850 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000737291156 598657550 /nfs/dbraw/zinc/65/75/50/598657550.db2.gz IIZHBTLTZFWXLA-CQSZACIVSA-N -1 3 375.354 3.850 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000736140345 598664667 /nfs/dbraw/zinc/66/46/67/598664667.db2.gz UHWYYTBDNYTCKF-LLVKDONJSA-N -1 3 384.827 3.650 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000736140345 598664669 /nfs/dbraw/zinc/66/46/69/598664669.db2.gz UHWYYTBDNYTCKF-LLVKDONJSA-N -1 3 384.827 3.650 20 0 GHADHM CCCCc1nc(-c2cccc(OCc3ccc(F)cc3-c3nnn[n-]3)c2)no1 ZINC000736465152 598675720 /nfs/dbraw/zinc/67/57/20/598675720.db2.gz BILPQCNCLHRWJW-UHFFFAOYSA-N -1 3 394.410 3.977 20 0 GHADHM CCCCc1nc(-c2cccc(OCc3ccc(F)cc3-c3nn[n-]n3)c2)no1 ZINC000736465152 598675722 /nfs/dbraw/zinc/67/57/22/598675722.db2.gz BILPQCNCLHRWJW-UHFFFAOYSA-N -1 3 394.410 3.977 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000737355195 598696509 /nfs/dbraw/zinc/69/65/09/598696509.db2.gz BTTDUBHMDJYYFG-LLVKDONJSA-N -1 3 389.431 3.714 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000737355195 598696511 /nfs/dbraw/zinc/69/65/11/598696511.db2.gz BTTDUBHMDJYYFG-LLVKDONJSA-N -1 3 389.431 3.714 20 0 GHADHM CCCC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736437203 598698883 /nfs/dbraw/zinc/69/88/83/598698883.db2.gz HKUIBBALKBSNSU-LJQANCHMSA-N -1 3 394.479 3.606 20 0 GHADHM CCCC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736437203 598698884 /nfs/dbraw/zinc/69/88/84/598698884.db2.gz HKUIBBALKBSNSU-LJQANCHMSA-N -1 3 394.479 3.606 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737316432 598709627 /nfs/dbraw/zinc/70/96/27/598709627.db2.gz BRMJUKGZFDYVOX-AWEZNQCLSA-N -1 3 398.438 3.948 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737316432 598709628 /nfs/dbraw/zinc/70/96/28/598709628.db2.gz BRMJUKGZFDYVOX-AWEZNQCLSA-N -1 3 398.438 3.948 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737808785 598712838 /nfs/dbraw/zinc/71/28/38/598712838.db2.gz RHFGIVTVEMDENA-OAHLLOKOSA-N -1 3 376.338 3.646 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737808785 598712840 /nfs/dbraw/zinc/71/28/40/598712840.db2.gz RHFGIVTVEMDENA-OAHLLOKOSA-N -1 3 376.338 3.646 20 0 GHADHM CC(C)c1ccc(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922480 598713585 /nfs/dbraw/zinc/71/35/85/598713585.db2.gz KFFNTIYKMDVSNT-UHFFFAOYSA-N -1 3 396.472 3.508 20 0 GHADHM CC(C)c1ccc(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922480 598713587 /nfs/dbraw/zinc/71/35/87/598713587.db2.gz KFFNTIYKMDVSNT-UHFFFAOYSA-N -1 3 396.472 3.508 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000736480147 598717013 /nfs/dbraw/zinc/71/70/13/598717013.db2.gz KXEKLLLRVFLAAV-YWZLYKJASA-N -1 3 390.491 3.722 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000736480147 598717015 /nfs/dbraw/zinc/71/70/15/598717015.db2.gz KXEKLLLRVFLAAV-YWZLYKJASA-N -1 3 390.491 3.722 20 0 GHADHM c1csc(-c2nc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)cs2)c1 ZINC000738447555 598723769 /nfs/dbraw/zinc/72/37/69/598723769.db2.gz HCAHHNOPJJDSFD-UHFFFAOYSA-N -1 3 391.485 3.964 20 0 GHADHM c1csc(-c2nc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)cs2)c1 ZINC000738447555 598723770 /nfs/dbraw/zinc/72/37/70/598723770.db2.gz HCAHHNOPJJDSFD-UHFFFAOYSA-N -1 3 391.485 3.964 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737826590 598725372 /nfs/dbraw/zinc/72/53/72/598725372.db2.gz SBEYEZIXBCGWRP-SFHVURJKSA-N -1 3 392.459 3.926 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737826590 598725373 /nfs/dbraw/zinc/72/53/73/598725373.db2.gz SBEYEZIXBCGWRP-SFHVURJKSA-N -1 3 392.459 3.926 20 0 GHADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737075132 598729148 /nfs/dbraw/zinc/72/91/48/598729148.db2.gz KXYSCNBJCSDXCY-CUZBXDDWSA-N -1 3 384.823 3.846 20 0 GHADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737075132 598729149 /nfs/dbraw/zinc/72/91/49/598729149.db2.gz KXYSCNBJCSDXCY-CUZBXDDWSA-N -1 3 384.823 3.846 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736250792 598734411 /nfs/dbraw/zinc/73/44/11/598734411.db2.gz MLIPPGFUMQNOIZ-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736250792 598734412 /nfs/dbraw/zinc/73/44/12/598734412.db2.gz MLIPPGFUMQNOIZ-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000735921060 598743506 /nfs/dbraw/zinc/74/35/06/598743506.db2.gz HHOUEKLSPZMPBA-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000735921060 598743507 /nfs/dbraw/zinc/74/35/07/598743507.db2.gz HHOUEKLSPZMPBA-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735921512 598752866 /nfs/dbraw/zinc/75/28/66/598752866.db2.gz SDTYGJQUSFOZDE-AWEZNQCLSA-N -1 3 396.520 3.657 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC000737852782 598753660 /nfs/dbraw/zinc/75/36/60/598753660.db2.gz GUNCPROCGBPLHK-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC000737852782 598753661 /nfs/dbraw/zinc/75/36/61/598753661.db2.gz GUNCPROCGBPLHK-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737421385 598759431 /nfs/dbraw/zinc/75/94/31/598759431.db2.gz LXIKATMMSVMIBR-HNAYVOBHSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421385 598759433 /nfs/dbraw/zinc/75/94/33/598759433.db2.gz LXIKATMMSVMIBR-HNAYVOBHSA-N -1 3 378.480 3.933 20 0 GHADHM CC(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)(c1ccccc1)c1ccccc1 ZINC000736117627 598769064 /nfs/dbraw/zinc/76/90/64/598769064.db2.gz QZWSGYPDEDKXAW-UHFFFAOYSA-N -1 3 384.443 3.952 20 0 GHADHM CC(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)(c1ccccc1)c1ccccc1 ZINC000736117627 598769066 /nfs/dbraw/zinc/76/90/66/598769066.db2.gz QZWSGYPDEDKXAW-UHFFFAOYSA-N -1 3 384.443 3.952 20 0 GHADHM CN(CCCOc1ccccc1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736796873 598770074 /nfs/dbraw/zinc/77/00/74/598770074.db2.gz CPGQKKDTZCCTBT-UHFFFAOYSA-N -1 3 396.401 3.598 20 0 GHADHM CN(CCCOc1ccccc1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736796873 598770076 /nfs/dbraw/zinc/77/00/76/598770076.db2.gz CPGQKKDTZCCTBT-UHFFFAOYSA-N -1 3 396.401 3.598 20 0 GHADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)Cc2ccccc21 ZINC000736291026 598770247 /nfs/dbraw/zinc/77/02/47/598770247.db2.gz TYMRFXMIMVLYMG-NSHDSACASA-N -1 3 378.386 3.817 20 0 GHADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)Cc2ccccc21 ZINC000736291026 598770248 /nfs/dbraw/zinc/77/02/48/598770248.db2.gz TYMRFXMIMVLYMG-NSHDSACASA-N -1 3 378.386 3.817 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000736502593 598781846 /nfs/dbraw/zinc/78/18/46/598781846.db2.gz OLUKJMCEXKUCDY-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000736502593 598781847 /nfs/dbraw/zinc/78/18/47/598781847.db2.gz OLUKJMCEXKUCDY-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CCCn1ccc2cc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000736502413 598781995 /nfs/dbraw/zinc/78/19/95/598781995.db2.gz MLOXUCPSBUCRSA-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM CCCn1ccc2cc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000736502413 598781997 /nfs/dbraw/zinc/78/19/97/598781997.db2.gz MLOXUCPSBUCRSA-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000736262030 598789454 /nfs/dbraw/zinc/78/94/54/598789454.db2.gz LZNRHSRAWCANAX-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000736262030 598789456 /nfs/dbraw/zinc/78/94/56/598789456.db2.gz LZNRHSRAWCANAX-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM Fc1ccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000737651342 598790219 /nfs/dbraw/zinc/79/02/19/598790219.db2.gz RRYKZYCDDCGBBD-INIZCTEOSA-N -1 3 386.431 3.679 20 0 GHADHM Fc1ccc([C@@H]2CCCN2C(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000737651342 598790221 /nfs/dbraw/zinc/79/02/21/598790221.db2.gz RRYKZYCDDCGBBD-INIZCTEOSA-N -1 3 386.431 3.679 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1CCc2ccccc21 ZINC000736626385 598790342 /nfs/dbraw/zinc/79/03/42/598790342.db2.gz HDSAGHGTIDMQED-CQSZACIVSA-N -1 3 384.823 3.554 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1CCc2ccccc21 ZINC000736626385 598790344 /nfs/dbraw/zinc/79/03/44/598790344.db2.gz HDSAGHGTIDMQED-CQSZACIVSA-N -1 3 384.823 3.554 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123971 598792784 /nfs/dbraw/zinc/79/27/84/598792784.db2.gz SOSPPOZGSMVULP-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123971 598792785 /nfs/dbraw/zinc/79/27/85/598792785.db2.gz SOSPPOZGSMVULP-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Br)ccc1Cl ZINC000736818456 598794926 /nfs/dbraw/zinc/79/49/26/598794926.db2.gz PYBQOVKLWWTKOT-UHFFFAOYSA-N -1 3 392.688 3.915 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111348 598799639 /nfs/dbraw/zinc/79/96/39/598799639.db2.gz DDWVIMBWUVKGLZ-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111348 598799641 /nfs/dbraw/zinc/79/96/41/598799641.db2.gz DDWVIMBWUVKGLZ-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000736815028 598800550 /nfs/dbraw/zinc/80/05/50/598800550.db2.gz UPPCVVXBJOCPJS-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000736815028 598800552 /nfs/dbraw/zinc/80/05/52/598800552.db2.gz UPPCVVXBJOCPJS-IBGZPJMESA-N -1 3 376.464 3.550 20 0 GHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737463214 598804916 /nfs/dbraw/zinc/80/49/16/598804916.db2.gz MOZMEACGXHDLGG-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737463214 598804918 /nfs/dbraw/zinc/80/49/18/598804918.db2.gz MOZMEACGXHDLGG-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CCC(C)(CC)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736315699 598806307 /nfs/dbraw/zinc/80/63/07/598806307.db2.gz UIJQBWARLCXOEO-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCC(C)(CC)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736315699 598806309 /nfs/dbraw/zinc/80/63/09/598806309.db2.gz UIJQBWARLCXOEO-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CC[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334036 598806476 /nfs/dbraw/zinc/80/64/76/598806476.db2.gz RXOVNCZYFHIQNY-HNNXBMFYSA-N -1 3 387.447 3.575 20 0 GHADHM Cc1cc(N(C)[C@H](C)c2ccccn2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270197 598815505 /nfs/dbraw/zinc/81/55/05/598815505.db2.gz LDFNVNACFXOLPF-CQSZACIVSA-N -1 3 384.447 3.568 20 0 GHADHM Cc1cc(N(C)[C@H](C)c2ccccn2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270197 598815506 /nfs/dbraw/zinc/81/55/06/598815506.db2.gz LDFNVNACFXOLPF-CQSZACIVSA-N -1 3 384.447 3.568 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1CCCc2occc21 ZINC000823303603 599292618 /nfs/dbraw/zinc/29/26/18/599292618.db2.gz ODASIYADXXZFFL-ZDUSSCGKSA-N -1 3 392.341 3.678 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1CCCc2occc21 ZINC000823303603 599292620 /nfs/dbraw/zinc/29/26/20/599292620.db2.gz ODASIYADXXZFFL-ZDUSSCGKSA-N -1 3 392.341 3.678 20 0 GHADHM CC(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819913851 599296230 /nfs/dbraw/zinc/29/62/30/599296230.db2.gz FPHDJMLAINHRAT-UHFFFAOYSA-N -1 3 384.415 3.966 20 0 GHADHM CC(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819913851 599296232 /nfs/dbraw/zinc/29/62/32/599296232.db2.gz FPHDJMLAINHRAT-UHFFFAOYSA-N -1 3 384.415 3.966 20 0 GHADHM C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820667826 599296566 /nfs/dbraw/zinc/29/65/66/599296566.db2.gz OEODOGXGMMWXFT-NEPJUHHUSA-N -1 3 382.399 3.576 20 0 GHADHM C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820667826 599296568 /nfs/dbraw/zinc/29/65/68/599296568.db2.gz OEODOGXGMMWXFT-NEPJUHHUSA-N -1 3 382.399 3.576 20 0 GHADHM C[C@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820667830 599296685 /nfs/dbraw/zinc/29/66/85/599296685.db2.gz OEODOGXGMMWXFT-RYUDHWBXSA-N -1 3 382.399 3.576 20 0 GHADHM C[C@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820667830 599296687 /nfs/dbraw/zinc/29/66/87/599296687.db2.gz OEODOGXGMMWXFT-RYUDHWBXSA-N -1 3 382.399 3.576 20 0 GHADHM CCN(C(=O)c1nc(-c2cccs2)oc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507233 599310442 /nfs/dbraw/zinc/31/04/42/599310442.db2.gz CBCFAIKTBVPMIS-UHFFFAOYSA-N -1 3 380.433 3.558 20 0 GHADHM CCN(C(=O)c1nc(-c2cccs2)oc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507233 599310445 /nfs/dbraw/zinc/31/04/45/599310445.db2.gz CBCFAIKTBVPMIS-UHFFFAOYSA-N -1 3 380.433 3.558 20 0 GHADHM CN(C(=O)c1cc(Br)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736748714 599310612 /nfs/dbraw/zinc/31/06/12/599310612.db2.gz JTMDUITXLOWSHZ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cc(Br)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736748714 599310615 /nfs/dbraw/zinc/31/06/15/599310615.db2.gz JTMDUITXLOWSHZ-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1CCCS1 ZINC000822211951 599320071 /nfs/dbraw/zinc/32/00/71/599320071.db2.gz VIFWJBUDXJONIZ-SFHVURJKSA-N -1 3 395.488 3.588 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1CCCS1 ZINC000822211951 599320073 /nfs/dbraw/zinc/32/00/73/599320073.db2.gz VIFWJBUDXJONIZ-SFHVURJKSA-N -1 3 395.488 3.588 20 0 GHADHM CCCCOc1ccc(OC)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736463514 599325204 /nfs/dbraw/zinc/32/52/04/599325204.db2.gz OWJJHNIUHPLPTC-UHFFFAOYSA-N -1 3 383.452 3.545 20 0 GHADHM CCCCOc1ccc(OC)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736463514 599325207 /nfs/dbraw/zinc/32/52/07/599325207.db2.gz OWJJHNIUHPLPTC-UHFFFAOYSA-N -1 3 383.452 3.545 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190534 599329007 /nfs/dbraw/zinc/32/90/07/599329007.db2.gz TYQPHFMCJREBDU-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190534 599329009 /nfs/dbraw/zinc/32/90/09/599329009.db2.gz TYQPHFMCJREBDU-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](SCCCn1c2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187912 599329705 /nfs/dbraw/zinc/32/97/05/599329705.db2.gz DAKVRVMCFGTLSC-ZDUSSCGKSA-N -1 3 380.477 3.807 20 0 GHADHM C[C@H](SCCCn1c2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187912 599329708 /nfs/dbraw/zinc/32/97/08/599329708.db2.gz DAKVRVMCFGTLSC-ZDUSSCGKSA-N -1 3 380.477 3.807 20 0 GHADHM C[C@H](SCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188170 599330426 /nfs/dbraw/zinc/33/04/26/599330426.db2.gz IIXQPLBHLZPCAB-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@H](SCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188170 599330428 /nfs/dbraw/zinc/33/04/28/599330428.db2.gz IIXQPLBHLZPCAB-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820031692 599346015 /nfs/dbraw/zinc/34/60/15/599346015.db2.gz HNTMTLXIZHEFKA-AUUYWEPGSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820031692 599346018 /nfs/dbraw/zinc/34/60/18/599346018.db2.gz HNTMTLXIZHEFKA-AUUYWEPGSA-N -1 3 393.516 3.961 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736311924 599346041 /nfs/dbraw/zinc/34/60/41/599346041.db2.gz BGSGXANKQGVGNT-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736311924 599346043 /nfs/dbraw/zinc/34/60/43/599346043.db2.gz BGSGXANKQGVGNT-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM CCCC[C@@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736436256 599377436 /nfs/dbraw/zinc/37/74/36/599377436.db2.gz BVDRHZCVMUULIA-KRWDZBQOSA-N -1 3 395.463 3.594 20 0 GHADHM CCCC[C@@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736436256 599377439 /nfs/dbraw/zinc/37/74/39/599377439.db2.gz BVDRHZCVMUULIA-KRWDZBQOSA-N -1 3 395.463 3.594 20 0 GHADHM O=C(Nc1ccsc1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000738196056 599388331 /nfs/dbraw/zinc/38/83/31/599388331.db2.gz BXOVGBYFBFNJPS-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccsc1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000738196056 599388334 /nfs/dbraw/zinc/38/83/34/599388334.db2.gz BXOVGBYFBFNJPS-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000822223619 599392284 /nfs/dbraw/zinc/39/22/84/599392284.db2.gz DMLXNEYZXFOBTN-OLZOCXBDSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000822223619 599392287 /nfs/dbraw/zinc/39/22/87/599392287.db2.gz DMLXNEYZXFOBTN-OLZOCXBDSA-N -1 3 393.426 3.776 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192314 599401057 /nfs/dbraw/zinc/40/10/57/599401057.db2.gz JDJKSMNOPSMYLN-CYBMUJFWSA-N -1 3 382.443 3.690 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192314 599401060 /nfs/dbraw/zinc/40/10/60/599401060.db2.gz JDJKSMNOPSMYLN-CYBMUJFWSA-N -1 3 382.443 3.690 20 0 GHADHM CC(C)C(=O)Nc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000735684956 599402094 /nfs/dbraw/zinc/40/20/94/599402094.db2.gz MJRWVVJNFSZYGE-UHFFFAOYSA-N -1 3 387.447 3.622 20 0 GHADHM CC(C)C(=O)Nc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000735684956 599402096 /nfs/dbraw/zinc/40/20/96/599402096.db2.gz MJRWVVJNFSZYGE-UHFFFAOYSA-N -1 3 387.447 3.622 20 0 GHADHM c1ccc(CCOCCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738433676 599415470 /nfs/dbraw/zinc/41/54/70/599415470.db2.gz WSJKMRQCAXUVSW-UHFFFAOYSA-N -1 3 388.475 3.866 20 0 GHADHM c1ccc(CCOCCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738433676 599415472 /nfs/dbraw/zinc/41/54/72/599415472.db2.gz WSJKMRQCAXUVSW-UHFFFAOYSA-N -1 3 388.475 3.866 20 0 GHADHM C[C@H](NC(=O)NCCC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366929 599422524 /nfs/dbraw/zinc/42/25/24/599422524.db2.gz PUMABYFJYAFNLL-HNNXBMFYSA-N -1 3 378.480 3.595 20 0 GHADHM C[C@H](NC(=O)NCCC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366929 599422526 /nfs/dbraw/zinc/42/25/26/599422526.db2.gz PUMABYFJYAFNLL-HNNXBMFYSA-N -1 3 378.480 3.595 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000735628115 599424284 /nfs/dbraw/zinc/42/42/84/599424284.db2.gz QSJXSVHHQQTJOE-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000735628115 599424289 /nfs/dbraw/zinc/42/42/89/599424289.db2.gz QSJXSVHHQQTJOE-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225594 599424433 /nfs/dbraw/zinc/42/44/33/599424433.db2.gz MHLGXNITLDUMKM-HZPDHXFCSA-N -1 3 392.507 3.983 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225594 599424435 /nfs/dbraw/zinc/42/44/35/599424435.db2.gz MHLGXNITLDUMKM-HZPDHXFCSA-N -1 3 392.507 3.983 20 0 GHADHM CN(C)[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736761853 599439363 /nfs/dbraw/zinc/43/93/63/599439363.db2.gz VAGLAXQPFYKYIP-OAHLLOKOSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736761853 599439365 /nfs/dbraw/zinc/43/93/65/599439365.db2.gz VAGLAXQPFYKYIP-OAHLLOKOSA-N -1 3 378.814 3.513 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(CC)cc1 ZINC000736479425 599453818 /nfs/dbraw/zinc/45/38/18/599453818.db2.gz HAKBDGPOQCNTPW-UHFFFAOYSA-N -1 3 392.507 3.593 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(CC)cc1 ZINC000736479425 599453820 /nfs/dbraw/zinc/45/38/20/599453820.db2.gz HAKBDGPOQCNTPW-UHFFFAOYSA-N -1 3 392.507 3.593 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCc1cc(Cl)cs1 ZINC000737025829 599465555 /nfs/dbraw/zinc/46/55/55/599465555.db2.gz NWMPHUGYXKDKAZ-UHFFFAOYSA-N -1 3 399.259 3.782 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCc1cc(Cl)cs1 ZINC000737025829 599465557 /nfs/dbraw/zinc/46/55/57/599465557.db2.gz NWMPHUGYXKDKAZ-UHFFFAOYSA-N -1 3 399.259 3.782 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339509 599473177 /nfs/dbraw/zinc/47/31/77/599473177.db2.gz DENKLELGDSUBOL-OLZOCXBDSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339509 599473181 /nfs/dbraw/zinc/47/31/81/599473181.db2.gz DENKLELGDSUBOL-OLZOCXBDSA-N -1 3 384.871 3.984 20 0 GHADHM Fc1cccc(Oc2ncccc2CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822792160 599475194 /nfs/dbraw/zinc/47/51/94/599475194.db2.gz PQCJEHBHGBNJHS-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1cccc(Oc2ncccc2CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822792160 599475197 /nfs/dbraw/zinc/47/51/97/599475197.db2.gz PQCJEHBHGBNJHS-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1C(F)(F)F ZINC000822207158 599495599 /nfs/dbraw/zinc/49/55/99/599495599.db2.gz MSKLGZNNWAQBBK-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1C(F)(F)F ZINC000822207158 599495602 /nfs/dbraw/zinc/49/56/02/599495602.db2.gz MSKLGZNNWAQBBK-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736233933 599503605 /nfs/dbraw/zinc/50/36/05/599503605.db2.gz HEXKOYGWQNNDQY-DGCLKSJQSA-N -1 3 384.390 3.555 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736233933 599503609 /nfs/dbraw/zinc/50/36/09/599503609.db2.gz HEXKOYGWQNNDQY-DGCLKSJQSA-N -1 3 384.390 3.555 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(OC2CCCC2)CC1 ZINC000822204130 599508244 /nfs/dbraw/zinc/50/82/44/599508244.db2.gz FNDDAIUBZDTSBP-UHFFFAOYSA-N -1 3 396.470 3.790 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(OC2CCCC2)CC1 ZINC000822204130 599508247 /nfs/dbraw/zinc/50/82/47/599508247.db2.gz FNDDAIUBZDTSBP-UHFFFAOYSA-N -1 3 396.470 3.790 20 0 GHADHM C[C@H](NC(=O)CCSc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820328194 599511482 /nfs/dbraw/zinc/51/14/82/599511482.db2.gz NNCLQVIHARXQRO-LBPRGKRZSA-N -1 3 387.896 3.880 20 0 GHADHM C[C@H](NC(=O)CCSc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820328194 599511483 /nfs/dbraw/zinc/51/14/83/599511483.db2.gz NNCLQVIHARXQRO-LBPRGKRZSA-N -1 3 387.896 3.880 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821346586 599518157 /nfs/dbraw/zinc/51/81/57/599518157.db2.gz MKKBZVCOGJQUDO-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821346586 599518159 /nfs/dbraw/zinc/51/81/59/599518159.db2.gz MKKBZVCOGJQUDO-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC000735913409 599519489 /nfs/dbraw/zinc/51/94/89/599519489.db2.gz CHUAOEIQDDQQGQ-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC000736531945 599519978 /nfs/dbraw/zinc/51/99/78/599519978.db2.gz NGDHJEOSFROETH-UHFFFAOYSA-N -1 3 391.401 3.739 20 0 GHADHM Fc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CCO2)c1 ZINC000737669070 599526159 /nfs/dbraw/zinc/52/61/59/599526159.db2.gz YZWQSLAHMOQDRN-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1coc(-c2ccccc2)n1 ZINC000738208209 599540240 /nfs/dbraw/zinc/54/02/40/599540240.db2.gz KNYKDRCDRIHXBX-UHFFFAOYSA-N -1 3 392.444 3.714 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1coc(-c2ccccc2)n1 ZINC000738208209 599540241 /nfs/dbraw/zinc/54/02/41/599540241.db2.gz KNYKDRCDRIHXBX-UHFFFAOYSA-N -1 3 392.444 3.714 20 0 GHADHM C[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735977906 599540910 /nfs/dbraw/zinc/54/09/10/599540910.db2.gz WSQRNOOJQLJFGQ-LBPRGKRZSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735977906 599540912 /nfs/dbraw/zinc/54/09/12/599540912.db2.gz WSQRNOOJQLJFGQ-LBPRGKRZSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccs1 ZINC000735561096 599540973 /nfs/dbraw/zinc/54/09/73/599540973.db2.gz VMXLTRHWHGIRIP-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397556 599541762 /nfs/dbraw/zinc/54/17/62/599541762.db2.gz QIXWMCLPJLHHBO-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397556 599541764 /nfs/dbraw/zinc/54/17/64/599541764.db2.gz QIXWMCLPJLHHBO-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000819976079 599549613 /nfs/dbraw/zinc/54/96/13/599549613.db2.gz KYZVCYBDABEXMX-INIZCTEOSA-N -1 3 393.495 3.520 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000819976079 599549614 /nfs/dbraw/zinc/54/96/14/599549614.db2.gz KYZVCYBDABEXMX-INIZCTEOSA-N -1 3 393.495 3.520 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736469880 599562319 /nfs/dbraw/zinc/56/23/19/599562319.db2.gz FLRRWQLBVFRHTG-UHFFFAOYSA-N -1 3 376.464 3.873 20 0 GHADHM Cc1ccc(-c2cnc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)o2)cc1 ZINC000822213947 599567931 /nfs/dbraw/zinc/56/79/31/599567931.db2.gz IQTLKHHEYXYUJD-UHFFFAOYSA-N -1 3 386.459 3.995 20 0 GHADHM Cc1ccc(-c2cnc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)o2)cc1 ZINC000822213947 599567933 /nfs/dbraw/zinc/56/79/33/599567933.db2.gz IQTLKHHEYXYUJD-UHFFFAOYSA-N -1 3 386.459 3.995 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736125315 599568932 /nfs/dbraw/zinc/56/89/32/599568932.db2.gz XXTZKTGWALQWMG-CQSZACIVSA-N -1 3 376.464 3.919 20 0 GHADHM Cc1ccc(CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC(F)(F)F)cc1 ZINC000822236276 599584064 /nfs/dbraw/zinc/58/40/64/599584064.db2.gz RWELBEYQYKZOIB-UHFFFAOYSA-N -1 3 393.388 3.921 20 0 GHADHM Cc1ccc(CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC(F)(F)F)cc1 ZINC000822236276 599584065 /nfs/dbraw/zinc/58/40/65/599584065.db2.gz RWELBEYQYKZOIB-UHFFFAOYSA-N -1 3 393.388 3.921 20 0 GHADHM CCCC(=O)COC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736413249 599604059 /nfs/dbraw/zinc/60/40/59/599604059.db2.gz WUFSRDHIRJFLBL-UHFFFAOYSA-N -1 3 382.445 3.544 20 0 GHADHM CCCC(=O)COC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736413249 599604061 /nfs/dbraw/zinc/60/40/61/599604061.db2.gz WUFSRDHIRJFLBL-UHFFFAOYSA-N -1 3 382.445 3.544 20 0 GHADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000819884397 599620618 /nfs/dbraw/zinc/62/06/18/599620618.db2.gz WCEYNPKXSZWNHP-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000819884397 599620619 /nfs/dbraw/zinc/62/06/19/599620619.db2.gz WCEYNPKXSZWNHP-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821390548 599620687 /nfs/dbraw/zinc/62/06/87/599620687.db2.gz YREPNEOOEIXKEO-CLFYSBASSA-N -1 3 399.476 3.638 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821390548 599620688 /nfs/dbraw/zinc/62/06/88/599620688.db2.gz YREPNEOOEIXKEO-CLFYSBASSA-N -1 3 399.476 3.638 20 0 GHADHM O=C(Oc1cccc2[nH]ccc21)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823454272 599626809 /nfs/dbraw/zinc/62/68/09/599626809.db2.gz MFOGFPZVDLSXHU-UHFFFAOYSA-N -1 3 398.382 3.755 20 0 GHADHM O=C(Oc1cccc2[nH]ccc21)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823454272 599626810 /nfs/dbraw/zinc/62/68/10/599626810.db2.gz MFOGFPZVDLSXHU-UHFFFAOYSA-N -1 3 398.382 3.755 20 0 GHADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCc2ccccc2C1 ZINC000820577636 599628326 /nfs/dbraw/zinc/62/83/26/599628326.db2.gz SGRFLXBXUXKKHL-NRFANRHFSA-N -1 3 393.516 3.941 20 0 GHADHM C[C@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCc2ccccc2C1 ZINC000820577636 599628327 /nfs/dbraw/zinc/62/83/27/599628327.db2.gz SGRFLXBXUXKKHL-NRFANRHFSA-N -1 3 393.516 3.941 20 0 GHADHM Cc1sc(NC(=O)c2cccc(-c3cscn3)c2)c(-c2nnn[n-]2)c1C ZINC000822564240 599629009 /nfs/dbraw/zinc/62/90/09/599629009.db2.gz XDMGQNHDKYXQOP-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1sc(NC(=O)c2cccc(-c3cscn3)c2)c(-c2nn[n-]n2)c1C ZINC000822564240 599629010 /nfs/dbraw/zinc/62/90/10/599629010.db2.gz XDMGQNHDKYXQOP-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(F)c1Cl ZINC000821699217 599629779 /nfs/dbraw/zinc/62/97/79/599629779.db2.gz HDOWUKQKAALLKJ-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(F)c1Cl ZINC000821699217 599629780 /nfs/dbraw/zinc/62/97/80/599629780.db2.gz HDOWUKQKAALLKJ-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823303486 599629803 /nfs/dbraw/zinc/62/98/03/599629803.db2.gz JXXLUAWFZMUEAV-UZLBHIALSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823303486 599629804 /nfs/dbraw/zinc/62/98/04/599629804.db2.gz JXXLUAWFZMUEAV-UZLBHIALSA-N -1 3 379.851 3.753 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822232791 599629860 /nfs/dbraw/zinc/62/98/60/599629860.db2.gz BDMBJHYLJLWRKG-AEFFLSMTSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822232791 599629861 /nfs/dbraw/zinc/62/98/61/599629861.db2.gz BDMBJHYLJLWRKG-AEFFLSMTSA-N -1 3 397.866 3.935 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(C)c1C ZINC000821230179 599636572 /nfs/dbraw/zinc/63/65/72/599636572.db2.gz DXGNGWMRUUYBCK-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(C)c1C ZINC000821230179 599636573 /nfs/dbraw/zinc/63/65/73/599636573.db2.gz DXGNGWMRUUYBCK-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CC(C)CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820076573 599639838 /nfs/dbraw/zinc/63/98/38/599639838.db2.gz NKIMFSFKWPPTNK-UHFFFAOYSA-N -1 3 377.452 3.501 20 0 GHADHM CC(C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820076573 599639839 /nfs/dbraw/zinc/63/98/39/599639839.db2.gz NKIMFSFKWPPTNK-UHFFFAOYSA-N -1 3 377.452 3.501 20 0 GHADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148344 599648520 /nfs/dbraw/zinc/64/85/20/599648520.db2.gz NVNZXONVEDDDKU-IRXDYDNUSA-N -1 3 393.491 3.881 20 0 GHADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148344 599648521 /nfs/dbraw/zinc/64/85/21/599648521.db2.gz NVNZXONVEDDDKU-IRXDYDNUSA-N -1 3 393.491 3.881 20 0 GHADHM CCC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820832589 599650368 /nfs/dbraw/zinc/65/03/68/599650368.db2.gz MBPGTPINKSOBPV-BENRWUELSA-N -1 3 385.830 3.769 20 0 GHADHM CCC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820832589 599650369 /nfs/dbraw/zinc/65/03/69/599650369.db2.gz MBPGTPINKSOBPV-BENRWUELSA-N -1 3 385.830 3.769 20 0 GHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000820488925 599651878 /nfs/dbraw/zinc/65/18/78/599651878.db2.gz WZPVFYHCEIWCFN-LHNRBYRGSA-N -1 3 390.443 3.818 20 0 GHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000820488925 599651879 /nfs/dbraw/zinc/65/18/79/599651879.db2.gz WZPVFYHCEIWCFN-LHNRBYRGSA-N -1 3 390.443 3.818 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820965904 599655742 /nfs/dbraw/zinc/65/57/42/599655742.db2.gz AKLCGUCGYRLIHL-MAUKXSAKSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820965904 599655743 /nfs/dbraw/zinc/65/57/43/599655743.db2.gz AKLCGUCGYRLIHL-MAUKXSAKSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822232783 599678957 /nfs/dbraw/zinc/67/89/57/599678957.db2.gz AYBANMWTPHMNEC-IBGZPJMESA-N -1 3 394.454 3.751 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822232783 599678958 /nfs/dbraw/zinc/67/89/58/599678958.db2.gz AYBANMWTPHMNEC-IBGZPJMESA-N -1 3 394.454 3.751 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821153382 599681251 /nfs/dbraw/zinc/68/12/51/599681251.db2.gz AIUCZMLJAGHUDR-UONOGXRCSA-N -1 3 382.443 3.860 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821153382 599681252 /nfs/dbraw/zinc/68/12/52/599681252.db2.gz AIUCZMLJAGHUDR-UONOGXRCSA-N -1 3 382.443 3.860 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351211 599682183 /nfs/dbraw/zinc/68/21/83/599682183.db2.gz MZZLPLFNDUXKCI-DNVCBOLYSA-N -1 3 391.479 3.650 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351211 599682184 /nfs/dbraw/zinc/68/21/84/599682184.db2.gz MZZLPLFNDUXKCI-DNVCBOLYSA-N -1 3 391.479 3.650 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2cccs2)n1 ZINC000826252619 607390013 /nfs/dbraw/zinc/39/00/13/607390013.db2.gz KWAHTISYYGJCHE-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2cccs2)n1 ZINC000826252619 607390015 /nfs/dbraw/zinc/39/00/15/607390015.db2.gz KWAHTISYYGJCHE-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000820160450 607398472 /nfs/dbraw/zinc/39/84/72/607398472.db2.gz KDAUSRAPQNMJIB-UHFFFAOYSA-N -1 3 383.427 3.709 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000820160450 607398473 /nfs/dbraw/zinc/39/84/73/607398473.db2.gz KDAUSRAPQNMJIB-UHFFFAOYSA-N -1 3 383.427 3.709 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736723533 599830866 /nfs/dbraw/zinc/83/08/66/599830866.db2.gz GUVFQRCRRISWSR-UZLBHIALSA-N -1 3 381.476 3.661 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCc3ccccn3)cc2)C(=O)[O-])cc1 ZINC000737967773 599858626 /nfs/dbraw/zinc/85/86/26/599858626.db2.gz CVBIEQLTJGCBEC-OAQYLSRUSA-N -1 3 378.428 3.585 20 0 GHADHM COc1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000826191600 607406438 /nfs/dbraw/zinc/40/64/38/607406438.db2.gz KWWUXZFTCMNKRI-UHFFFAOYSA-N -1 3 386.839 3.513 20 0 GHADHM COc1ccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000826191600 607406440 /nfs/dbraw/zinc/40/64/40/607406440.db2.gz KWWUXZFTCMNKRI-UHFFFAOYSA-N -1 3 386.839 3.513 20 0 GHADHM CN(C[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737408868 600092291 /nfs/dbraw/zinc/09/22/91/600092291.db2.gz FKBXBRDJUWJIKD-AWEZNQCLSA-N -1 3 380.460 3.603 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000736281025 600092689 /nfs/dbraw/zinc/09/26/89/600092689.db2.gz KEAMOTYNABTSHU-GFCCVEGCSA-N -1 3 376.478 3.699 20 0 GHADHM CC[C@](NCc1cccc(C(=O)N2CCCCC2)c1)(C(=O)[O-])c1ccccc1 ZINC000736920196 600128834 /nfs/dbraw/zinc/12/88/34/600128834.db2.gz JSVPBCSPSXWDFA-HSZRJFAPSA-N -1 3 380.488 3.792 20 0 GHADHM CC(C)Sc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824337607 607423705 /nfs/dbraw/zinc/42/37/05/607423705.db2.gz CVFNDTKGILUDGK-UHFFFAOYSA-N -1 3 379.489 3.786 20 0 GHADHM CC(C)Sc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824337607 607423706 /nfs/dbraw/zinc/42/37/06/607423706.db2.gz CVFNDTKGILUDGK-UHFFFAOYSA-N -1 3 379.489 3.786 20 0 GHADHM O=C(CCc1ccc2ccccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408938 607424701 /nfs/dbraw/zinc/42/47/01/607424701.db2.gz AQABANSEZUUZQZ-UHFFFAOYSA-N -1 3 383.455 3.758 20 0 GHADHM O=C(CCc1ccc2ccccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408938 607424703 /nfs/dbraw/zinc/42/47/03/607424703.db2.gz AQABANSEZUUZQZ-UHFFFAOYSA-N -1 3 383.455 3.758 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1-c1nnn[n-]1 ZINC000820164315 607425556 /nfs/dbraw/zinc/42/55/56/607425556.db2.gz HIAREJGSKOVBOV-QGZVFWFLSA-N -1 3 384.484 3.840 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1-c1nn[n-]n1 ZINC000820164315 607425559 /nfs/dbraw/zinc/42/55/59/607425559.db2.gz HIAREJGSKOVBOV-QGZVFWFLSA-N -1 3 384.484 3.840 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000736711850 600206031 /nfs/dbraw/zinc/20/60/31/600206031.db2.gz GFPRKZRCLZWQMM-HZPDHXFCSA-N -1 3 386.517 3.502 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821778102 607430240 /nfs/dbraw/zinc/43/02/40/607430240.db2.gz UEYFXGZASAGMGH-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821778102 607430241 /nfs/dbraw/zinc/43/02/41/607430241.db2.gz UEYFXGZASAGMGH-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM CN(C(=O)c1ccc(C2SCCS2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830544 607438779 /nfs/dbraw/zinc/43/87/79/607438779.db2.gz VMKJOSMNCCMEJQ-UHFFFAOYSA-N -1 3 383.502 3.622 20 0 GHADHM CN(C(=O)c1ccc(C2SCCS2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830544 607438781 /nfs/dbraw/zinc/43/87/81/607438781.db2.gz VMKJOSMNCCMEJQ-UHFFFAOYSA-N -1 3 383.502 3.622 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000739515437 600399533 /nfs/dbraw/zinc/39/95/33/600399533.db2.gz IGEDEWNDHSBZMW-QGZVFWFLSA-N -1 3 398.850 3.790 20 0 GHADHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426737780 600430666 /nfs/dbraw/zinc/43/06/66/600430666.db2.gz QEJYHPWDZKVQMZ-KRWDZBQOSA-N -1 3 379.840 3.671 20 0 GHADHM O=C([O-])c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1Cl ZINC000739464744 600508877 /nfs/dbraw/zinc/50/88/77/600508877.db2.gz KXMPVZCCFMSDMA-SFHVURJKSA-N -1 3 387.867 3.997 20 0 GHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737369454 600510693 /nfs/dbraw/zinc/51/06/93/600510693.db2.gz ISXIUGKCNOTVTA-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM Cc1c(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cccc1C(=O)[O-] ZINC000738303252 600743083 /nfs/dbraw/zinc/74/30/83/600743083.db2.gz GGMBOXQMFUEEBV-INIZCTEOSA-N -1 3 381.476 3.822 20 0 GHADHM O=C([O-])C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1cccc(Cl)c1 ZINC000833200187 600800061 /nfs/dbraw/zinc/80/00/61/600800061.db2.gz JHYKEGDPGNGXAY-IBGZPJMESA-N -1 3 386.879 3.882 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000826054459 601203862 /nfs/dbraw/zinc/20/38/62/601203862.db2.gz NDTXFEBJYJOTMQ-YVEFUNNKSA-N -1 3 396.365 3.575 20 0 GHADHM COc1cccc(NC(=O)[C@@H](NCC2(C(=O)[O-])CCCC2)c2ccccc2)c1 ZINC000832562666 601369141 /nfs/dbraw/zinc/36/91/41/601369141.db2.gz QCNPFFFPYSTJNV-IBGZPJMESA-N -1 3 382.460 3.610 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820292390 607504908 /nfs/dbraw/zinc/50/49/08/607504908.db2.gz FBLPKTVDSAIBRX-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820292390 607504909 /nfs/dbraw/zinc/50/49/09/607504909.db2.gz FBLPKTVDSAIBRX-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000826025818 601394876 /nfs/dbraw/zinc/39/48/76/601394876.db2.gz GEIQZFJGLIPJNJ-LRQRDZAKSA-N -1 3 398.478 3.616 20 0 GHADHM CCCN1CCN(c2ccccc2CNc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000829508190 601560321 /nfs/dbraw/zinc/56/03/21/601560321.db2.gz OWBZUWFAWKNVRR-UHFFFAOYSA-N -1 3 382.508 3.598 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000826055422 601651318 /nfs/dbraw/zinc/65/13/18/601651318.db2.gz ZZZIIZDFCFKMOX-UWJYYQICSA-N -1 3 380.488 3.864 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000826693596 601652455 /nfs/dbraw/zinc/65/24/55/601652455.db2.gz IOZVPNYAQTYQLX-GQWLDOHISA-N -1 3 386.467 3.691 20 0 GHADHM CC(=O)c1cc(Br)c(F)cc1OCc1ccccc1-c1nnn[n-]1 ZINC000824010448 607532047 /nfs/dbraw/zinc/53/20/47/607532047.db2.gz NNJBTQLJBHLFPI-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)c(F)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000824010448 607532049 /nfs/dbraw/zinc/53/20/49/607532049.db2.gz NNJBTQLJBHLFPI-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830811121 601899375 /nfs/dbraw/zinc/89/93/75/601899375.db2.gz NJIPAXABZRMGKJ-SFHVURJKSA-N -1 3 375.350 3.547 20 0 GHADHM c1coc(-c2c3c(nc(SCc4nccs4)c2-c2nnn[n-]2)CCC3)c1 ZINC000826526378 607538832 /nfs/dbraw/zinc/53/88/32/607538832.db2.gz WNNBDMOAKIDDMB-UHFFFAOYSA-N -1 3 382.474 3.759 20 0 GHADHM O=C([O-])NC1(c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)CCCC1 ZINC000740549601 602411863 /nfs/dbraw/zinc/41/18/63/602411863.db2.gz BIDZTMVYQMLVLF-OAHLLOKOSA-N -1 3 388.443 3.625 20 0 GHADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000739014352 602688662 /nfs/dbraw/zinc/68/86/62/602688662.db2.gz IHVKVNZUXGILFE-CQSZACIVSA-N -1 3 384.505 3.931 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)cc(Br)c1 ZINC000826454212 607589801 /nfs/dbraw/zinc/58/98/01/607589801.db2.gz NKDSJMMABWEWLA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)cc(Br)c1 ZINC000826454212 607589804 /nfs/dbraw/zinc/58/98/04/607589804.db2.gz NKDSJMMABWEWLA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830875784 603175703 /nfs/dbraw/zinc/17/57/03/603175703.db2.gz LIHFFBJZJBDGLN-OAQYLSRUSA-N -1 3 378.476 3.647 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825918898 607618200 /nfs/dbraw/zinc/61/82/00/607618200.db2.gz NZIIRAIHLHCMNF-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CN(CCC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825918898 607618202 /nfs/dbraw/zinc/61/82/02/607618202.db2.gz NZIIRAIHLHCMNF-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM COc1ccc(CNc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1OC ZINC000826204253 607644772 /nfs/dbraw/zinc/64/47/72/607644772.db2.gz DEWDMMDGTGHECC-UHFFFAOYSA-N -1 3 394.460 3.620 20 0 GHADHM COc1ccc(CNc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1OC ZINC000826204253 607644773 /nfs/dbraw/zinc/64/47/73/607644773.db2.gz DEWDMMDGTGHECC-UHFFFAOYSA-N -1 3 394.460 3.620 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000826250153 607650006 /nfs/dbraw/zinc/65/00/06/607650006.db2.gz NAPDNYPSOHXWMJ-UHFFFAOYSA-N -1 3 376.464 3.664 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000826250153 607650007 /nfs/dbraw/zinc/65/00/07/607650007.db2.gz NAPDNYPSOHXWMJ-UHFFFAOYSA-N -1 3 376.464 3.664 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000828467113 603806159 /nfs/dbraw/zinc/80/61/59/603806159.db2.gz UZSXLLHIQGVTCN-UHFFFAOYSA-N -1 3 382.464 3.905 20 0 GHADHM Cc1ccc(-c2nnc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)o2)cc1C ZINC000826273761 607655757 /nfs/dbraw/zinc/65/57/57/607655757.db2.gz SLKYYVGAUDEXFR-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM Cc1ccc(-c2nnc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000826273761 607655758 /nfs/dbraw/zinc/65/57/58/607655758.db2.gz SLKYYVGAUDEXFR-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM CN(C)c1cc(CNCc2cccc3c2N(C(=O)[O-])CC3)c2ccccc2n1 ZINC000828056612 603864233 /nfs/dbraw/zinc/86/42/33/603864233.db2.gz TUUDJNVFFYKAAN-UHFFFAOYSA-N -1 3 376.460 3.631 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000826916043 603966368 /nfs/dbraw/zinc/96/63/68/603966368.db2.gz DCRUVEGBDYLLSS-ZDUSSCGKSA-N -1 3 378.860 3.602 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n(-c2cccc(Cl)c2)n1 ZINC000826270594 607678779 /nfs/dbraw/zinc/67/87/79/607678779.db2.gz GUMYHLPXWDXHCR-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n(-c2cccc(Cl)c2)n1 ZINC000826270594 607678780 /nfs/dbraw/zinc/67/87/80/607678780.db2.gz GUMYHLPXWDXHCR-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2cccs2)cc1 ZINC000824347773 607688343 /nfs/dbraw/zinc/68/83/43/607688343.db2.gz NHAYOSXVOJGYFW-SFHVURJKSA-N -1 3 392.488 3.899 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2cccs2)cc1 ZINC000824347773 607688345 /nfs/dbraw/zinc/68/83/45/607688345.db2.gz NHAYOSXVOJGYFW-SFHVURJKSA-N -1 3 392.488 3.899 20 0 GHADHM Fc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(Br)c1 ZINC000826375070 607705126 /nfs/dbraw/zinc/70/51/26/607705126.db2.gz YHMWYWKJBLFYQF-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000826246741 607706165 /nfs/dbraw/zinc/70/61/65/607706165.db2.gz KJSHHTGPEJVGMV-ZDUSSCGKSA-N -1 3 395.438 3.594 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000826246741 607706166 /nfs/dbraw/zinc/70/61/66/607706166.db2.gz KJSHHTGPEJVGMV-ZDUSSCGKSA-N -1 3 395.438 3.594 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826326308 607712088 /nfs/dbraw/zinc/71/20/88/607712088.db2.gz KBPUVMOIAQXVDS-UHFFFAOYSA-N -1 3 384.871 3.522 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826326308 607712089 /nfs/dbraw/zinc/71/20/89/607712089.db2.gz KBPUVMOIAQXVDS-UHFFFAOYSA-N -1 3 384.871 3.522 20 0 GHADHM O=C([O-])CC1(NCc2csc(Cc3ccc(Cl)cc3)n2)CCOCC1 ZINC000662213239 604795655 /nfs/dbraw/zinc/79/56/55/604795655.db2.gz WONNRNQXOSXGIN-UHFFFAOYSA-N -1 3 380.897 3.501 20 0 GHADHM COc1cc(N[C@@H]2CCCN(Cc3cc(C(=O)[O-])sc3C)C2)cc(OC)c1 ZINC000832025815 604799040 /nfs/dbraw/zinc/79/90/40/604799040.db2.gz DMUGWQMJMLOUMP-OAHLLOKOSA-N -1 3 390.505 3.848 20 0 GHADHM C[C@@]1(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833569214 604813686 /nfs/dbraw/zinc/81/36/86/604813686.db2.gz KKTFCBBJOYVZIK-SUMWQHHRSA-N -1 3 383.370 3.879 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833495229 604915443 /nfs/dbraw/zinc/91/54/43/604915443.db2.gz XXWKCPPBKTWIBG-MRXNPFEDSA-N -1 3 383.492 3.942 20 0 GHADHM COc1ccccc1N1CC[C@@H](N[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833736604 605069576 /nfs/dbraw/zinc/06/95/76/605069576.db2.gz QODFFHYQFSIPJY-KZULUSFZSA-N -1 3 395.286 3.996 20 0 GHADHM O[C@@H](c1ccccc1)C1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000826505084 607735489 /nfs/dbraw/zinc/73/54/89/607735489.db2.gz LZCMHEFOLFATKU-INIZCTEOSA-N -1 3 389.381 3.811 20 0 GHADHM Cc1nc(C)n(C[C@@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)n1 ZINC000833755500 605128596 /nfs/dbraw/zinc/12/85/96/605128596.db2.gz PGLRFMATWPQADB-DYVFJYSZSA-N -1 3 397.306 3.740 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000833411735 605182111 /nfs/dbraw/zinc/18/21/11/605182111.db2.gz DKGFRRGNAUELFR-PZJWPPBQSA-N -1 3 380.488 3.622 20 0 GHADHM CCn1cc(C2CCN([C@H](C(=O)[O-])c3cccc(Br)c3)CC2)cn1 ZINC000578447903 605202031 /nfs/dbraw/zinc/20/20/31/605202031.db2.gz AEMBVTUQIKFQFF-KRWDZBQOSA-N -1 3 392.297 3.671 20 0 GHADHM C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824513606 607745481 /nfs/dbraw/zinc/74/54/81/607745481.db2.gz DBKVYBVOVKTYDY-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513606 607745482 /nfs/dbraw/zinc/74/54/82/607745482.db2.gz DBKVYBVOVKTYDY-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccccc2I)C1 ZINC000833418781 605549122 /nfs/dbraw/zinc/54/91/22/605549122.db2.gz ALGLDVLZMMMPIZ-ZDUSSCGKSA-N -1 3 387.261 3.614 20 0 GHADHM CCOc1cc(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000833862057 605598541 /nfs/dbraw/zinc/59/85/41/605598541.db2.gz QUYJBARBVHJZEV-GXTWGEPZSA-N -1 3 390.402 3.504 20 0 GHADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826426774 607768264 /nfs/dbraw/zinc/76/82/64/607768264.db2.gz WJPMDWBXCKAXGS-QGZVFWFLSA-N -1 3 396.882 3.967 20 0 GHADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826426774 607768265 /nfs/dbraw/zinc/76/82/65/607768265.db2.gz WJPMDWBXCKAXGS-QGZVFWFLSA-N -1 3 396.882 3.967 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826307246 607769771 /nfs/dbraw/zinc/76/97/71/607769771.db2.gz ZVHUHWSJSMSADZ-UHFFFAOYSA-N -1 3 390.472 3.870 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826307246 607769772 /nfs/dbraw/zinc/76/97/72/607769772.db2.gz ZVHUHWSJSMSADZ-UHFFFAOYSA-N -1 3 390.472 3.870 20 0 GHADHM O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826422532 607770062 /nfs/dbraw/zinc/77/00/62/607770062.db2.gz CINYWUAAXDNAEE-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826422532 607770063 /nfs/dbraw/zinc/77/00/63/607770063.db2.gz CINYWUAAXDNAEE-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM Cc1ccc([C@H](CNCc2cc(C(=O)[O-])ccc2Cl)N2CCOCC2)s1 ZINC000833748701 605832664 /nfs/dbraw/zinc/83/26/64/605832664.db2.gz FIKZVXOULIQHPG-KRWDZBQOSA-N -1 3 394.924 3.571 20 0 GHADHM Brc1ccsc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819688823 606061648 /nfs/dbraw/zinc/06/16/48/606061648.db2.gz NPZCDWONPMXBSK-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccsc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819688823 606061650 /nfs/dbraw/zinc/06/16/50/606061650.db2.gz NPZCDWONPMXBSK-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820825708 606104205 /nfs/dbraw/zinc/10/42/05/606104205.db2.gz BNRGEQUPMYPIBE-AWEZNQCLSA-N -1 3 398.426 3.771 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820825708 606104207 /nfs/dbraw/zinc/10/42/07/606104207.db2.gz BNRGEQUPMYPIBE-AWEZNQCLSA-N -1 3 398.426 3.771 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822262518 606105258 /nfs/dbraw/zinc/10/52/58/606105258.db2.gz AOLKMMYCXRGZPD-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822262518 606105260 /nfs/dbraw/zinc/10/52/60/606105260.db2.gz AOLKMMYCXRGZPD-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822230896 606116162 /nfs/dbraw/zinc/11/61/62/606116162.db2.gz UHKSBDSONZVYKN-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822230896 606116163 /nfs/dbraw/zinc/11/61/63/606116163.db2.gz UHKSBDSONZVYKN-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1sccc1-c1nnn[n-]1 ZINC000823368430 606122349 /nfs/dbraw/zinc/12/23/49/606122349.db2.gz XRCHDELURWYCMY-UHFFFAOYSA-N -1 3 396.476 3.699 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1sccc1-c1nn[n-]n1 ZINC000823368430 606122350 /nfs/dbraw/zinc/12/23/50/606122350.db2.gz XRCHDELURWYCMY-UHFFFAOYSA-N -1 3 396.476 3.699 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000821777514 606126462 /nfs/dbraw/zinc/12/64/62/606126462.db2.gz GSQOBBVSMFMQIH-ZDUSSCGKSA-N -1 3 382.468 3.564 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000821777514 606126464 /nfs/dbraw/zinc/12/64/64/606126464.db2.gz GSQOBBVSMFMQIH-ZDUSSCGKSA-N -1 3 382.468 3.564 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821983899 606151073 /nfs/dbraw/zinc/15/10/73/606151073.db2.gz KIAJYXSZRWAXGI-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000821983899 606151074 /nfs/dbraw/zinc/15/10/74/606151074.db2.gz KIAJYXSZRWAXGI-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820396599 606185623 /nfs/dbraw/zinc/18/56/23/606185623.db2.gz HCRUMYYPQSYMPZ-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820396599 606185624 /nfs/dbraw/zinc/18/56/24/606185624.db2.gz HCRUMYYPQSYMPZ-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820727860 606188108 /nfs/dbraw/zinc/18/81/08/606188108.db2.gz PSMWJTVFBKHGFJ-HXPMCKFVSA-N -1 3 397.479 3.538 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820727860 606188110 /nfs/dbraw/zinc/18/81/10/606188110.db2.gz PSMWJTVFBKHGFJ-HXPMCKFVSA-N -1 3 397.479 3.538 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000821119015 606192590 /nfs/dbraw/zinc/19/25/90/606192590.db2.gz TUIYDWMTPXYBQH-CHWSQXEVSA-N -1 3 398.417 3.709 20 0 GHADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000821082382 606235442 /nfs/dbraw/zinc/23/54/42/606235442.db2.gz JQKZFAYAVOBQSE-CYBMUJFWSA-N -1 3 378.436 3.565 20 0 GHADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000821082382 606235443 /nfs/dbraw/zinc/23/54/43/606235443.db2.gz JQKZFAYAVOBQSE-CYBMUJFWSA-N -1 3 378.436 3.565 20 0 GHADHM CCCCCCOCc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821056816 606236619 /nfs/dbraw/zinc/23/66/19/606236619.db2.gz YBUPMIXJZXPDOW-UHFFFAOYSA-N -1 3 382.468 3.554 20 0 GHADHM CCCCCCOCc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821056816 606236620 /nfs/dbraw/zinc/23/66/20/606236620.db2.gz YBUPMIXJZXPDOW-UHFFFAOYSA-N -1 3 382.468 3.554 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)c2)C1 ZINC000820698626 606236712 /nfs/dbraw/zinc/23/67/12/606236712.db2.gz VFAMKMKDRLDDAW-KBXCAEBGSA-N -1 3 394.479 3.553 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)c2)C1 ZINC000820698626 606236713 /nfs/dbraw/zinc/23/67/13/606236713.db2.gz VFAMKMKDRLDDAW-KBXCAEBGSA-N -1 3 394.479 3.553 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@H](c2cc(-c3nnn[n-]3)cs2)N1CC1CC1 ZINC000823551493 606245903 /nfs/dbraw/zinc/24/59/03/606245903.db2.gz SOTLFAWHWBWYHI-INIZCTEOSA-N -1 3 386.868 3.558 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@H](c2cc(-c3nn[n-]n3)cs2)N1CC1CC1 ZINC000823551493 606245905 /nfs/dbraw/zinc/24/59/05/606245905.db2.gz SOTLFAWHWBWYHI-INIZCTEOSA-N -1 3 386.868 3.558 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823376037 606250459 /nfs/dbraw/zinc/25/04/59/606250459.db2.gz VJMBZXZFQFYLJI-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823376037 606250460 /nfs/dbraw/zinc/25/04/60/606250460.db2.gz VJMBZXZFQFYLJI-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cs2)c1 ZINC000822284304 606262290 /nfs/dbraw/zinc/26/22/90/606262290.db2.gz NYRUAFJNNWJXLP-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cs2)c1 ZINC000822284304 606262292 /nfs/dbraw/zinc/26/22/92/606262292.db2.gz NYRUAFJNNWJXLP-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000821123414 606280233 /nfs/dbraw/zinc/28/02/33/606280233.db2.gz RAGCYPNEPZWMSL-UHFFFAOYSA-N -1 3 394.479 3.866 20 0 GHADHM O=C(Nc1ncc(Cl)s1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823383096 606284969 /nfs/dbraw/zinc/28/49/69/606284969.db2.gz KZTMGSOKTWIYNH-UHFFFAOYSA-N -1 3 397.851 3.973 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1csc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641119 606304394 /nfs/dbraw/zinc/30/43/94/606304394.db2.gz WMLWCFUGHVKENR-KZULUSFZSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1csc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641119 606304398 /nfs/dbraw/zinc/30/43/98/606304398.db2.gz WMLWCFUGHVKENR-KZULUSFZSA-N -1 3 393.472 3.646 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139879 606315570 /nfs/dbraw/zinc/31/55/70/606315570.db2.gz NGBLNIVBAZBSGR-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139879 606315572 /nfs/dbraw/zinc/31/55/72/606315572.db2.gz NGBLNIVBAZBSGR-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820678660 606343874 /nfs/dbraw/zinc/34/38/74/606343874.db2.gz WXZKEXVMBMQKNZ-GYSYKLTISA-N -1 3 392.410 3.653 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820678660 606343876 /nfs/dbraw/zinc/34/38/76/606343876.db2.gz WXZKEXVMBMQKNZ-GYSYKLTISA-N -1 3 392.410 3.653 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822554236 606350614 /nfs/dbraw/zinc/35/06/14/606350614.db2.gz XGONTQYCFKECBT-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822554236 606350616 /nfs/dbraw/zinc/35/06/16/606350616.db2.gz XGONTQYCFKECBT-SNVBAGLBSA-N -1 3 381.417 3.810 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821891274 606352879 /nfs/dbraw/zinc/35/28/79/606352879.db2.gz ZGFBRTHOLURHRI-KRWDZBQOSA-N -1 3 396.426 3.774 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821891274 606352881 /nfs/dbraw/zinc/35/28/81/606352881.db2.gz ZGFBRTHOLURHRI-KRWDZBQOSA-N -1 3 396.426 3.774 20 0 GHADHM O=C(COc1ccccc1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823049962 606361636 /nfs/dbraw/zinc/36/16/36/606361636.db2.gz NYSJPULRRLNPHV-UHFFFAOYSA-N -1 3 388.383 3.643 20 0 GHADHM O=C(COc1ccccc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823049962 606361638 /nfs/dbraw/zinc/36/16/38/606361638.db2.gz NYSJPULRRLNPHV-UHFFFAOYSA-N -1 3 388.383 3.643 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1CC(F)(F)F ZINC000822184409 606398555 /nfs/dbraw/zinc/39/85/55/606398555.db2.gz TYNNVOIOYUYRKL-LBPRGKRZSA-N -1 3 393.369 3.765 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1CC(F)(F)F ZINC000822184409 606398557 /nfs/dbraw/zinc/39/85/57/606398557.db2.gz TYNNVOIOYUYRKL-LBPRGKRZSA-N -1 3 393.369 3.765 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821770871 606398645 /nfs/dbraw/zinc/39/86/45/606398645.db2.gz YTRISRWJPTWCHN-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821770871 606398646 /nfs/dbraw/zinc/39/86/46/606398646.db2.gz YTRISRWJPTWCHN-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM Cc1ccccc1[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccs1 ZINC000822352445 606407759 /nfs/dbraw/zinc/40/77/59/606407759.db2.gz ZQUQBYQXDDLYLI-KRWDZBQOSA-N -1 3 379.445 3.522 20 0 GHADHM Cc1ccccc1[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccs1 ZINC000822352445 606407762 /nfs/dbraw/zinc/40/77/62/606407762.db2.gz ZQUQBYQXDDLYLI-KRWDZBQOSA-N -1 3 379.445 3.522 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000820743267 606430131 /nfs/dbraw/zinc/43/01/31/606430131.db2.gz SJSIJUAMPKQYHE-GJZGRUSLSA-N -1 3 393.516 3.887 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000820743267 606430132 /nfs/dbraw/zinc/43/01/32/606430132.db2.gz SJSIJUAMPKQYHE-GJZGRUSLSA-N -1 3 393.516 3.887 20 0 GHADHM C[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000820711439 606438286 /nfs/dbraw/zinc/43/82/86/606438286.db2.gz ZDPUBCUKEOWJQP-LBPRGKRZSA-N -1 3 383.839 3.937 20 0 GHADHM C[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000820711439 606438288 /nfs/dbraw/zinc/43/82/88/606438288.db2.gz ZDPUBCUKEOWJQP-LBPRGKRZSA-N -1 3 383.839 3.937 20 0 GHADHM Cc1cc(C)n(-c2ccc(NCc3cc(-c4nnn[n-]4)ccc3F)cc2F)n1 ZINC000822197950 606448792 /nfs/dbraw/zinc/44/87/92/606448792.db2.gz VXACDFUTIIQFQX-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM Cc1cc(C)n(-c2ccc(NCc3cc(-c4nn[n-]n4)ccc3F)cc2F)n1 ZINC000822197950 606448794 /nfs/dbraw/zinc/44/87/94/606448794.db2.gz VXACDFUTIIQFQX-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM CCC[C@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821034064 606459707 /nfs/dbraw/zinc/45/97/07/606459707.db2.gz IJBFKMYOWNCMMA-BBRMVZONSA-N -1 3 379.489 3.936 20 0 GHADHM CCC[C@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821034064 606459709 /nfs/dbraw/zinc/45/97/09/606459709.db2.gz IJBFKMYOWNCMMA-BBRMVZONSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC000820508307 606464382 /nfs/dbraw/zinc/46/43/82/606464382.db2.gz OHOAGTUQNCRAAV-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC000820508307 606464386 /nfs/dbraw/zinc/46/43/86/606464386.db2.gz OHOAGTUQNCRAAV-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823414560 606469596 /nfs/dbraw/zinc/46/95/96/606469596.db2.gz ZJVPMTMWNPGJPP-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2ccc(Cl)cc2n1 ZINC000823414560 606469597 /nfs/dbraw/zinc/46/95/97/606469597.db2.gz ZJVPMTMWNPGJPP-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820825841 606481937 /nfs/dbraw/zinc/48/19/37/606481937.db2.gz FJUVCOZPIQILDY-SNVBAGLBSA-N -1 3 377.420 3.649 20 0 GHADHM C[C@@H]1c2ccsc2CCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820825841 606481939 /nfs/dbraw/zinc/48/19/39/606481939.db2.gz FJUVCOZPIQILDY-SNVBAGLBSA-N -1 3 377.420 3.649 20 0 GHADHM O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380399 606484295 /nfs/dbraw/zinc/48/42/95/606484295.db2.gz XBQZHMNWQSSNSE-UHFFFAOYSA-N -1 3 396.379 3.809 20 0 GHADHM O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380399 606484297 /nfs/dbraw/zinc/48/42/97/606484297.db2.gz XBQZHMNWQSSNSE-UHFFFAOYSA-N -1 3 396.379 3.809 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140592 606484723 /nfs/dbraw/zinc/48/47/23/606484723.db2.gz XHQNFTOFRXIQTO-KRWDZBQOSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140592 606484724 /nfs/dbraw/zinc/48/47/24/606484724.db2.gz XHQNFTOFRXIQTO-KRWDZBQOSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000823472627 606491351 /nfs/dbraw/zinc/49/13/51/606491351.db2.gz SWZZYWNEEXCGMI-UHFFFAOYSA-N -1 3 379.367 3.540 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000823472627 606491352 /nfs/dbraw/zinc/49/13/52/606491352.db2.gz SWZZYWNEEXCGMI-UHFFFAOYSA-N -1 3 379.367 3.540 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823092435 606495926 /nfs/dbraw/zinc/49/59/26/606495926.db2.gz FKFZMITYHOAMKY-NRFANRHFSA-N -1 3 383.455 3.509 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823092435 606495928 /nfs/dbraw/zinc/49/59/28/606495928.db2.gz FKFZMITYHOAMKY-NRFANRHFSA-N -1 3 383.455 3.509 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1COCc1ccccc1 ZINC000823108433 606514188 /nfs/dbraw/zinc/51/41/88/606514188.db2.gz NDCWINHZDIZIQY-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1COCc1ccccc1 ZINC000823108433 606514189 /nfs/dbraw/zinc/51/41/89/606514189.db2.gz NDCWINHZDIZIQY-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821460983 606519136 /nfs/dbraw/zinc/51/91/36/606519136.db2.gz HWKSDIRCUCXVIG-UHFFFAOYSA-N -1 3 391.859 3.701 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821460983 606519138 /nfs/dbraw/zinc/51/91/38/606519138.db2.gz HWKSDIRCUCXVIG-UHFFFAOYSA-N -1 3 391.859 3.701 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN(CC1CCC1)CC(F)(F)F ZINC000822733275 606523118 /nfs/dbraw/zinc/52/31/18/606523118.db2.gz WIOYSVZPSOEPSE-UHFFFAOYSA-N -1 3 391.344 3.633 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN(CC1CCC1)CC(F)(F)F ZINC000822733275 606523119 /nfs/dbraw/zinc/52/31/19/606523119.db2.gz WIOYSVZPSOEPSE-UHFFFAOYSA-N -1 3 391.344 3.633 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820206095 606527120 /nfs/dbraw/zinc/52/71/20/606527120.db2.gz DFWAEDZOSUMFLE-UHFFFAOYSA-N -1 3 393.476 3.549 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820206095 606527121 /nfs/dbraw/zinc/52/71/21/606527121.db2.gz DFWAEDZOSUMFLE-UHFFFAOYSA-N -1 3 393.476 3.549 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000820151815 606530487 /nfs/dbraw/zinc/53/04/87/606530487.db2.gz NGTLLJKPFXOAQY-XQRVVYSFSA-N -1 3 381.411 3.835 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000820151815 606530489 /nfs/dbraw/zinc/53/04/89/606530489.db2.gz NGTLLJKPFXOAQY-XQRVVYSFSA-N -1 3 381.411 3.835 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000820542496 606535047 /nfs/dbraw/zinc/53/50/47/606535047.db2.gz OOWVZMWRNVRUJG-KBXCAEBGSA-N -1 3 395.438 3.527 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000820542496 606535049 /nfs/dbraw/zinc/53/50/49/606535049.db2.gz OOWVZMWRNVRUJG-KBXCAEBGSA-N -1 3 395.438 3.527 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000822928500 606537733 /nfs/dbraw/zinc/53/77/33/606537733.db2.gz IQMGJLRBTRDJNR-XGCMIMOYSA-N -1 3 377.423 3.773 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000822928500 606537735 /nfs/dbraw/zinc/53/77/35/606537735.db2.gz IQMGJLRBTRDJNR-XGCMIMOYSA-N -1 3 377.423 3.773 20 0 GHADHM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823161024 606540542 /nfs/dbraw/zinc/54/05/42/606540542.db2.gz JYEGRPNMZKLNQS-QGZVFWFLSA-N -1 3 389.484 3.685 20 0 GHADHM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823161024 606540544 /nfs/dbraw/zinc/54/05/44/606540544.db2.gz JYEGRPNMZKLNQS-QGZVFWFLSA-N -1 3 389.484 3.685 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820308808 606552400 /nfs/dbraw/zinc/55/24/00/606552400.db2.gz YUVMBLKNNOSYLO-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820308808 606552402 /nfs/dbraw/zinc/55/24/02/606552402.db2.gz YUVMBLKNNOSYLO-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1c(Cl)c(COC(=O)c2cc(-c3nnn[n-]3)cs2)nc2ccccc12 ZINC000822035597 606564238 /nfs/dbraw/zinc/56/42/38/606564238.db2.gz XOJDGEBOZUZIEF-UHFFFAOYSA-N -1 3 385.836 3.795 20 0 GHADHM Cc1c(Cl)c(COC(=O)c2cc(-c3nn[n-]n3)cs2)nc2ccccc12 ZINC000822035597 606564240 /nfs/dbraw/zinc/56/42/40/606564240.db2.gz XOJDGEBOZUZIEF-UHFFFAOYSA-N -1 3 385.836 3.795 20 0 GHADHM Cc1cccc(CC2CN(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)c1 ZINC000822299498 606570544 /nfs/dbraw/zinc/57/05/44/606570544.db2.gz KYDTZXMSHDDEKP-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1cccc(CC2CN(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)c1 ZINC000822299498 606570546 /nfs/dbraw/zinc/57/05/46/606570546.db2.gz KYDTZXMSHDDEKP-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823332928 606577256 /nfs/dbraw/zinc/57/72/56/606577256.db2.gz UDIODIMVIXNQPN-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000823332928 606577258 /nfs/dbraw/zinc/57/72/58/606577258.db2.gz UDIODIMVIXNQPN-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ccc2c(c1)OCCO2 ZINC000822733180 606590022 /nfs/dbraw/zinc/59/00/22/606590022.db2.gz RPFXPQAECJKMLZ-UHFFFAOYSA-N -1 3 392.387 3.532 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ccc2c(c1)OCCO2 ZINC000822733180 606590024 /nfs/dbraw/zinc/59/00/24/606590024.db2.gz RPFXPQAECJKMLZ-UHFFFAOYSA-N -1 3 392.387 3.532 20 0 GHADHM CO[C@H](C)c1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821674035 606596806 /nfs/dbraw/zinc/59/68/06/606596806.db2.gz RQWRTWMPOICVKV-LLVKDONJSA-N -1 3 375.379 3.788 20 0 GHADHM CO[C@H](C)c1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821674035 606596807 /nfs/dbraw/zinc/59/68/07/606596807.db2.gz RQWRTWMPOICVKV-LLVKDONJSA-N -1 3 375.379 3.788 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1cccc(OC)c1 ZINC000821118262 606605990 /nfs/dbraw/zinc/60/59/90/606605990.db2.gz KFGVWPBTAOIMPZ-AWEZNQCLSA-N -1 3 394.479 3.830 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cnccc1-c1cccc(F)c1 ZINC000822936047 606606718 /nfs/dbraw/zinc/60/67/18/606606718.db2.gz ROXZUSSNHDVVMW-HJWRWDBZSA-N -1 3 386.390 3.720 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cnccc1-c1cccc(F)c1 ZINC000822936047 606606720 /nfs/dbraw/zinc/60/67/20/606606720.db2.gz ROXZUSSNHDVVMW-HJWRWDBZSA-N -1 3 386.390 3.720 20 0 GHADHM O=C1[C@@H](Sc2ccc(Cl)cc2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000823514315 606629923 /nfs/dbraw/zinc/62/99/23/606629923.db2.gz YXVXAWNNXUNLQG-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccc(Cl)cc2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000823514315 606629925 /nfs/dbraw/zinc/62/99/25/606629925.db2.gz YXVXAWNNXUNLQG-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1cccc(F)c1 ZINC000820557288 606630207 /nfs/dbraw/zinc/63/02/07/606630207.db2.gz XWAYBRJMKYHVLN-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1cccc(F)c1 ZINC000820557288 606630208 /nfs/dbraw/zinc/63/02/08/606630208.db2.gz XWAYBRJMKYHVLN-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM Cc1cnc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)o1 ZINC000822394487 606645811 /nfs/dbraw/zinc/64/58/11/606645811.db2.gz BDWGVGFKTLODIM-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1cnc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)o1 ZINC000822394487 606645812 /nfs/dbraw/zinc/64/58/12/606645812.db2.gz BDWGVGFKTLODIM-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM CC(C)CN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCC1 ZINC000820081867 606658144 /nfs/dbraw/zinc/65/81/44/606658144.db2.gz ZDGJYRUVHZCIDH-UHFFFAOYSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)CN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCC1 ZINC000820081867 606658145 /nfs/dbraw/zinc/65/81/45/606658145.db2.gz ZDGJYRUVHZCIDH-UHFFFAOYSA-N -1 3 394.426 3.901 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000820384972 606661879 /nfs/dbraw/zinc/66/18/79/606661879.db2.gz NXKWVWAHPXMXBP-LLVKDONJSA-N -1 3 379.370 3.789 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000820384972 606661880 /nfs/dbraw/zinc/66/18/80/606661880.db2.gz NXKWVWAHPXMXBP-LLVKDONJSA-N -1 3 379.370 3.789 20 0 GHADHM CCN(c1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1)C(C)C ZINC000821230497 606663692 /nfs/dbraw/zinc/66/36/92/606663692.db2.gz LSFRWEIKIUSRIT-UHFFFAOYSA-N -1 3 386.406 3.632 20 0 GHADHM CCN(c1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1)C(C)C ZINC000821230497 606663693 /nfs/dbraw/zinc/66/36/93/606663693.db2.gz LSFRWEIKIUSRIT-UHFFFAOYSA-N -1 3 386.406 3.632 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)CSc2ccc(F)cc2)s1 ZINC000821465970 606674548 /nfs/dbraw/zinc/67/45/48/606674548.db2.gz SDWWNAPUPBBZHE-SNVBAGLBSA-N -1 3 391.497 3.997 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)CSc2ccc(F)cc2)s1 ZINC000821465970 606674549 /nfs/dbraw/zinc/67/45/49/606674549.db2.gz SDWWNAPUPBBZHE-SNVBAGLBSA-N -1 3 391.497 3.997 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000822232773 606674626 /nfs/dbraw/zinc/67/46/26/606674626.db2.gz ATGUVUYLQLNNOU-KRWDZBQOSA-N -1 3 383.402 3.739 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000822232773 606674627 /nfs/dbraw/zinc/67/46/27/606674627.db2.gz ATGUVUYLQLNNOU-KRWDZBQOSA-N -1 3 383.402 3.739 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000820612850 606686524 /nfs/dbraw/zinc/68/65/24/606686524.db2.gz LILSBELMNKIRSR-OAQYLSRUSA-N -1 3 397.429 3.630 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820612850 606686525 /nfs/dbraw/zinc/68/65/25/606686525.db2.gz LILSBELMNKIRSR-OAQYLSRUSA-N -1 3 397.429 3.630 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820989220 606689798 /nfs/dbraw/zinc/68/97/98/606689798.db2.gz OJBKNYSYMBGKJK-CQSZACIVSA-N -1 3 379.489 3.890 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820989220 606689799 /nfs/dbraw/zinc/68/97/99/606689799.db2.gz OJBKNYSYMBGKJK-CQSZACIVSA-N -1 3 379.489 3.890 20 0 GHADHM CC(C)COc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000820103260 606698630 /nfs/dbraw/zinc/69/86/30/606698630.db2.gz RMGJJNHPELXCBO-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)COc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000820103260 606698632 /nfs/dbraw/zinc/69/86/32/606698632.db2.gz RMGJJNHPELXCBO-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)(C)Oc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819951550 606704324 /nfs/dbraw/zinc/70/43/24/606704324.db2.gz SPDPXJZPMKPZKI-UHFFFAOYSA-N -1 3 391.435 3.706 20 0 GHADHM CC(C)(C)Oc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819951550 606704325 /nfs/dbraw/zinc/70/43/25/606704325.db2.gz SPDPXJZPMKPZKI-UHFFFAOYSA-N -1 3 391.435 3.706 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822197609 606723185 /nfs/dbraw/zinc/72/31/85/606723185.db2.gz HUBZWDKNHBTAJH-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822197609 606723187 /nfs/dbraw/zinc/72/31/87/606723187.db2.gz HUBZWDKNHBTAJH-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM CCO[C@@H](CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(C)C ZINC000821350632 606732870 /nfs/dbraw/zinc/73/28/70/606732870.db2.gz ADYWOMCJQWTOEF-INIZCTEOSA-N -1 3 399.520 3.663 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Br)s1 ZINC000822183314 606736585 /nfs/dbraw/zinc/73/65/85/606736585.db2.gz FUFSFCACTYNQRN-SECBINFHSA-N -1 3 393.266 3.917 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000822183314 606736587 /nfs/dbraw/zinc/73/65/87/606736587.db2.gz FUFSFCACTYNQRN-SECBINFHSA-N -1 3 393.266 3.917 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000822211767 606771053 /nfs/dbraw/zinc/77/10/53/606771053.db2.gz NXVLZYFQSFNDJA-DNVCBOLYSA-N -1 3 390.447 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000822211767 606771054 /nfs/dbraw/zinc/77/10/54/606771054.db2.gz NXVLZYFQSFNDJA-DNVCBOLYSA-N -1 3 390.447 3.984 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823356345 606771429 /nfs/dbraw/zinc/77/14/29/606771429.db2.gz KYNVBJUJQHUYGQ-CXAGYDPISA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000823356345 606771430 /nfs/dbraw/zinc/77/14/30/606771430.db2.gz KYNVBJUJQHUYGQ-CXAGYDPISA-N -1 3 376.420 3.675 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H]2CC=CCC2)cc1 ZINC000822137248 606792804 /nfs/dbraw/zinc/79/28/04/606792804.db2.gz VATSBJSKQUIIOB-KRWDZBQOSA-N -1 3 375.432 3.806 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H]2CC=CCC2)cc1 ZINC000822137248 606792806 /nfs/dbraw/zinc/79/28/06/606792806.db2.gz VATSBJSKQUIIOB-KRWDZBQOSA-N -1 3 375.432 3.806 20 0 GHADHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(Cl)c1 ZINC000822234773 606805096 /nfs/dbraw/zinc/80/50/96/606805096.db2.gz HATODKFTEMPGQK-UHFFFAOYSA-N -1 3 393.781 3.611 20 0 GHADHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(Cl)c1 ZINC000822234773 606805098 /nfs/dbraw/zinc/80/50/98/606805098.db2.gz HATODKFTEMPGQK-UHFFFAOYSA-N -1 3 393.781 3.611 20 0 GHADHM CN(c1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821619091 606806813 /nfs/dbraw/zinc/80/68/13/606806813.db2.gz IZQHHCADXXEXOJ-UHFFFAOYSA-N -1 3 391.479 3.567 20 0 GHADHM CN(c1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821619091 606806815 /nfs/dbraw/zinc/80/68/15/606806815.db2.gz IZQHHCADXXEXOJ-UHFFFAOYSA-N -1 3 391.479 3.567 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H](C)[C@H]2CCOC2)cc1 ZINC000822143868 606840847 /nfs/dbraw/zinc/84/08/47/606840847.db2.gz HSFUROOUASLMOR-YOEHRIQHSA-N -1 3 394.431 3.549 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H](C)[C@H]2CCOC2)cc1 ZINC000822143868 606840848 /nfs/dbraw/zinc/84/08/48/606840848.db2.gz HSFUROOUASLMOR-YOEHRIQHSA-N -1 3 394.431 3.549 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)O1 ZINC000820972048 606847847 /nfs/dbraw/zinc/84/78/47/606847847.db2.gz JXAXCZOVSJUBKB-JSGCOSHPSA-N -1 3 395.488 3.590 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)O1 ZINC000820972048 606847849 /nfs/dbraw/zinc/84/78/49/606847849.db2.gz JXAXCZOVSJUBKB-JSGCOSHPSA-N -1 3 395.488 3.590 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000820549782 606852817 /nfs/dbraw/zinc/85/28/17/606852817.db2.gz RHMVYGBISQPQSH-GFCCVEGCSA-N -1 3 387.896 3.659 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000820549782 606852819 /nfs/dbraw/zinc/85/28/19/606852819.db2.gz RHMVYGBISQPQSH-GFCCVEGCSA-N -1 3 387.896 3.659 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000821400219 606862631 /nfs/dbraw/zinc/86/26/31/606862631.db2.gz HJLTVUGFHBWSNR-UHFFFAOYSA-N -1 3 377.448 3.617 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000821400219 606862633 /nfs/dbraw/zinc/86/26/33/606862633.db2.gz HJLTVUGFHBWSNR-UHFFFAOYSA-N -1 3 377.448 3.617 20 0 GHADHM Brc1ccc(N2CCCC2)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819689063 606866322 /nfs/dbraw/zinc/86/63/22/606866322.db2.gz TXJQVEYBCDMDRQ-UHFFFAOYSA-N -1 3 399.296 3.842 20 0 GHADHM Brc1ccc(N2CCCC2)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819689063 606866324 /nfs/dbraw/zinc/86/63/24/606866324.db2.gz TXJQVEYBCDMDRQ-UHFFFAOYSA-N -1 3 399.296 3.842 20 0 GHADHM C[C@H]1CC[C@H](C)N1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820683803 606869103 /nfs/dbraw/zinc/86/91/03/606869103.db2.gz HJNMMDNBRRAXCW-STQMWFEESA-N -1 3 382.493 3.678 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)O1 ZINC000820678769 606869822 /nfs/dbraw/zinc/86/98/22/606869822.db2.gz YCSXJEAERODHTF-DIFFPNOSSA-N -1 3 399.838 3.818 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)O1 ZINC000820678769 606869824 /nfs/dbraw/zinc/86/98/24/606869824.db2.gz YCSXJEAERODHTF-DIFFPNOSSA-N -1 3 399.838 3.818 20 0 GHADHM CCOc1cc(Br)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821394399 606922599 /nfs/dbraw/zinc/92/25/99/606922599.db2.gz JEHAMRJCRHSSRN-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM O[C@@H](CN(Cc1ccsc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823672397 606924143 /nfs/dbraw/zinc/92/41/43/606924143.db2.gz DQARYUKJCQOOTC-IBGZPJMESA-N -1 3 377.473 3.668 20 0 GHADHM O[C@@H](CN(Cc1ccsc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672397 606924145 /nfs/dbraw/zinc/92/41/45/606924145.db2.gz DQARYUKJCQOOTC-IBGZPJMESA-N -1 3 377.473 3.668 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821766394 606926453 /nfs/dbraw/zinc/92/64/53/606926453.db2.gz VPDMLTFJXAHFFZ-CYBMUJFWSA-N -1 3 391.435 3.715 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821766394 606926455 /nfs/dbraw/zinc/92/64/55/606926455.db2.gz VPDMLTFJXAHFFZ-CYBMUJFWSA-N -1 3 391.435 3.715 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238678 606947822 /nfs/dbraw/zinc/94/78/22/606947822.db2.gz QEYNQRCWUOQLBT-HNNXBMFYSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238678 606947824 /nfs/dbraw/zinc/94/78/24/606947824.db2.gz QEYNQRCWUOQLBT-HNNXBMFYSA-N -1 3 385.855 3.608 20 0 GHADHM FC(F)(F)c1ccc(N2CCO[C@H](c3ccsc3)C2)c(-c2nnn[n-]2)c1 ZINC000822723805 606949613 /nfs/dbraw/zinc/94/96/13/606949613.db2.gz PHCNUWFCXSUFNU-AWEZNQCLSA-N -1 3 381.383 3.525 20 0 GHADHM FC(F)(F)c1ccc(N2CCO[C@H](c3ccsc3)C2)c(-c2nn[n-]n2)c1 ZINC000822723805 606949614 /nfs/dbraw/zinc/94/96/14/606949614.db2.gz PHCNUWFCXSUFNU-AWEZNQCLSA-N -1 3 381.383 3.525 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000822218180 606953948 /nfs/dbraw/zinc/95/39/48/606953948.db2.gz ZDWLVQDPLGEJEL-LLVKDONJSA-N -1 3 384.390 3.605 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000822218180 606953949 /nfs/dbraw/zinc/95/39/49/606953949.db2.gz ZDWLVQDPLGEJEL-LLVKDONJSA-N -1 3 384.390 3.605 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821672383 606954658 /nfs/dbraw/zinc/95/46/58/606954658.db2.gz IUOBMMFDGVSQAK-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821672383 606954660 /nfs/dbraw/zinc/95/46/60/606954660.db2.gz IUOBMMFDGVSQAK-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM Cc1cccc2sc(NC(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000822340659 606985929 /nfs/dbraw/zinc/98/59/29/606985929.db2.gz BLKHTHGVZMDWPW-UHFFFAOYSA-N -1 3 394.460 3.581 20 0 GHADHM Cc1cc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822153906 606987854 /nfs/dbraw/zinc/98/78/54/606987854.db2.gz QNPVUYNAFWSZCA-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822153906 606987855 /nfs/dbraw/zinc/98/78/55/606987855.db2.gz QNPVUYNAFWSZCA-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822263551 606992960 /nfs/dbraw/zinc/99/29/60/606992960.db2.gz SJRFKBMMBPBHHE-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822263551 606992961 /nfs/dbraw/zinc/99/29/61/606992961.db2.gz SJRFKBMMBPBHHE-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2nc(Cl)ccc2c1 ZINC000823427145 606996307 /nfs/dbraw/zinc/99/63/07/606996307.db2.gz YIPHPAVMCDKWGI-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2nc(Cl)ccc2c1 ZINC000823427145 606996309 /nfs/dbraw/zinc/99/63/09/606996309.db2.gz YIPHPAVMCDKWGI-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)Cc1ccco1 ZINC000822211964 607001415 /nfs/dbraw/zinc/00/14/15/607001415.db2.gz VSQFJQAWKSOEHR-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)Cc1ccco1 ZINC000822211964 607001416 /nfs/dbraw/zinc/00/14/16/607001416.db2.gz VSQFJQAWKSOEHR-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM CC(C)OCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820146348 607002139 /nfs/dbraw/zinc/00/21/39/607002139.db2.gz LLXCZHTUFMUPQB-UHFFFAOYSA-N -1 3 395.463 3.588 20 0 GHADHM CC(C)OCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820146348 607002140 /nfs/dbraw/zinc/00/21/40/607002140.db2.gz LLXCZHTUFMUPQB-UHFFFAOYSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1sc2nc(SCc3ccc(F)c(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000822564118 607008797 /nfs/dbraw/zinc/00/87/97/607008797.db2.gz UUWUBXREQLIBDH-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM Cc1sc2nc(SCc3ccc(F)c(-c4nn[n-]n4)c3)nc(N)c2c1C ZINC000822564118 607008798 /nfs/dbraw/zinc/00/87/98/607008798.db2.gz UUWUBXREQLIBDH-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821899446 607012055 /nfs/dbraw/zinc/01/20/55/607012055.db2.gz ZBYDLVHWHQEOAY-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821899446 607012057 /nfs/dbraw/zinc/01/20/57/607012057.db2.gz ZBYDLVHWHQEOAY-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821574832 607020328 /nfs/dbraw/zinc/02/03/28/607020328.db2.gz ZOVMWWDDMUNTDP-CQSZACIVSA-N -1 3 395.772 3.896 20 0 GHADHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821574832 607020330 /nfs/dbraw/zinc/02/03/30/607020330.db2.gz ZOVMWWDDMUNTDP-CQSZACIVSA-N -1 3 395.772 3.896 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2nc(CCc3ccccc3)no2)c1 ZINC000822757694 607035184 /nfs/dbraw/zinc/03/51/84/607035184.db2.gz DJTHEWAPHZJJTM-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2nc(CCc3ccccc3)no2)c1 ZINC000822757694 607035185 /nfs/dbraw/zinc/03/51/85/607035185.db2.gz DJTHEWAPHZJJTM-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM COc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000821839477 607054154 /nfs/dbraw/zinc/05/41/54/607054154.db2.gz VKZDGFRBXPLNGS-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM COc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000821839477 607054156 /nfs/dbraw/zinc/05/41/56/607054156.db2.gz VKZDGFRBXPLNGS-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OC[C@@H]2CCCOC2)cc1 ZINC000822143356 607081730 /nfs/dbraw/zinc/08/17/30/607081730.db2.gz BRIZNSDIKNXVSM-OAHLLOKOSA-N -1 3 394.431 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OC[C@@H]2CCCOC2)cc1 ZINC000822143356 607081731 /nfs/dbraw/zinc/08/17/31/607081731.db2.gz BRIZNSDIKNXVSM-OAHLLOKOSA-N -1 3 394.431 3.551 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000822978380 607094486 /nfs/dbraw/zinc/09/44/86/607094486.db2.gz ILTPQNBASPSOAB-OAQYLSRUSA-N -1 3 399.454 3.722 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000822978380 607094487 /nfs/dbraw/zinc/09/44/87/607094487.db2.gz ILTPQNBASPSOAB-OAQYLSRUSA-N -1 3 399.454 3.722 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(SC(F)F)cc1 ZINC000821304654 607101004 /nfs/dbraw/zinc/10/10/04/607101004.db2.gz PZZXOFKVLUHCLC-UHFFFAOYSA-N -1 3 390.419 3.866 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 ZINC000820770182 607115920 /nfs/dbraw/zinc/11/59/20/607115920.db2.gz ZGMGLLBXGQJFAO-ZUZCIYMTSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 ZINC000820770182 607115922 /nfs/dbraw/zinc/11/59/22/607115922.db2.gz ZGMGLLBXGQJFAO-ZUZCIYMTSA-N -1 3 395.410 3.913 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821127956 607135787 /nfs/dbraw/zinc/13/57/87/607135787.db2.gz ODXQTFBUCNKQQG-LBPRGKRZSA-N -1 3 384.415 3.677 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821127956 607135788 /nfs/dbraw/zinc/13/57/88/607135788.db2.gz ODXQTFBUCNKQQG-LBPRGKRZSA-N -1 3 384.415 3.677 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820549563 607150165 /nfs/dbraw/zinc/15/01/65/607150165.db2.gz OYNWVFOGNDEKKM-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820549563 607150166 /nfs/dbraw/zinc/15/01/66/607150166.db2.gz OYNWVFOGNDEKKM-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C(F)(F)F)ccc1F ZINC000821389401 607150204 /nfs/dbraw/zinc/15/02/04/607150204.db2.gz MBWIHSXUVHAZRX-UHFFFAOYSA-N -1 3 396.300 3.643 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C(F)(F)F)ccc1F ZINC000821389401 607150205 /nfs/dbraw/zinc/15/02/05/607150205.db2.gz MBWIHSXUVHAZRX-UHFFFAOYSA-N -1 3 396.300 3.643 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823257387 607153825 /nfs/dbraw/zinc/15/38/25/607153825.db2.gz LAQBYXIXPBXEHN-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823257387 607153827 /nfs/dbraw/zinc/15/38/27/607153827.db2.gz LAQBYXIXPBXEHN-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)OC1CCCCCC1 ZINC000821099346 607153871 /nfs/dbraw/zinc/15/38/71/607153871.db2.gz FEXBYHYZIZFFFM-INIZCTEOSA-N -1 3 385.512 3.733 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)OC1CCCCCC1 ZINC000821099346 607153872 /nfs/dbraw/zinc/15/38/72/607153872.db2.gz FEXBYHYZIZFFFM-INIZCTEOSA-N -1 3 385.512 3.733 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000819844646 607162168 /nfs/dbraw/zinc/16/21/68/607162168.db2.gz JZMBJSJKDXNVAA-SFHVURJKSA-N -1 3 395.488 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000819844646 607162170 /nfs/dbraw/zinc/16/21/70/607162170.db2.gz JZMBJSJKDXNVAA-SFHVURJKSA-N -1 3 395.488 3.825 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821015372 607164594 /nfs/dbraw/zinc/16/45/94/607164594.db2.gz PMKDLRZPTMFYKT-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821015372 607164595 /nfs/dbraw/zinc/16/45/95/607164595.db2.gz PMKDLRZPTMFYKT-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM OCCC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823718667 607173984 /nfs/dbraw/zinc/17/39/84/607173984.db2.gz YGZVBEFSMLMTIY-HNNXBMFYSA-N -1 3 377.370 3.811 20 0 GHADHM OCCC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823718667 607173985 /nfs/dbraw/zinc/17/39/85/607173985.db2.gz YGZVBEFSMLMTIY-HNNXBMFYSA-N -1 3 377.370 3.811 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822458588 607189329 /nfs/dbraw/zinc/18/93/29/607189329.db2.gz FCZSPDAYIADJIQ-UHFFFAOYSA-N -1 3 382.786 3.768 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822458588 607189330 /nfs/dbraw/zinc/18/93/30/607189330.db2.gz FCZSPDAYIADJIQ-UHFFFAOYSA-N -1 3 382.786 3.768 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822935213 607190070 /nfs/dbraw/zinc/19/00/70/607190070.db2.gz HEKZERFUXGZPQA-BQYQJAHWSA-N -1 3 382.836 3.782 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822935213 607190071 /nfs/dbraw/zinc/19/00/71/607190071.db2.gz HEKZERFUXGZPQA-BQYQJAHWSA-N -1 3 382.836 3.782 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820535766 607190785 /nfs/dbraw/zinc/19/07/85/607190785.db2.gz QRWHNDIANVYDRD-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820535766 607190786 /nfs/dbraw/zinc/19/07/86/607190786.db2.gz QRWHNDIANVYDRD-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC)cc1 ZINC000820920720 607195395 /nfs/dbraw/zinc/19/53/95/607195395.db2.gz SFFBGPMSOZYQOT-OAHLLOKOSA-N -1 3 386.843 3.802 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC)cc1 ZINC000820920720 607195396 /nfs/dbraw/zinc/19/53/96/607195396.db2.gz SFFBGPMSOZYQOT-OAHLLOKOSA-N -1 3 386.843 3.802 20 0 GHADHM CC(C)(C)c1csc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000819965468 607196047 /nfs/dbraw/zinc/19/60/47/607196047.db2.gz HSJYPKFESPJRMP-UHFFFAOYSA-N -1 3 391.888 3.596 20 0 GHADHM CC(C)(C)c1csc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000819965468 607196048 /nfs/dbraw/zinc/19/60/48/607196048.db2.gz HSJYPKFESPJRMP-UHFFFAOYSA-N -1 3 391.888 3.596 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821610808 607196796 /nfs/dbraw/zinc/19/67/96/607196796.db2.gz GDGIPBUFJNOBQF-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821610808 607196797 /nfs/dbraw/zinc/19/67/97/607196797.db2.gz GDGIPBUFJNOBQF-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822427829 607198461 /nfs/dbraw/zinc/19/84/61/607198461.db2.gz WKDINQNWFHFRQT-VIFPVBQESA-N -1 3 391.888 3.818 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822427829 607198462 /nfs/dbraw/zinc/19/84/62/607198462.db2.gz WKDINQNWFHFRQT-VIFPVBQESA-N -1 3 391.888 3.818 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820373831 607198732 /nfs/dbraw/zinc/19/87/32/607198732.db2.gz JLBFOFGRGKPEAW-VGTOOOLASA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820373831 607198733 /nfs/dbraw/zinc/19/87/33/607198733.db2.gz JLBFOFGRGKPEAW-VGTOOOLASA-N -1 3 398.854 3.595 20 0 GHADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823253419 607199337 /nfs/dbraw/zinc/19/93/37/607199337.db2.gz IAPBYNIMXPEPDY-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823253419 607199338 /nfs/dbraw/zinc/19/93/38/607199338.db2.gz IAPBYNIMXPEPDY-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456170 607203333 /nfs/dbraw/zinc/20/33/33/607203333.db2.gz NXZFSLBYMRCLOO-KGLIPLIRSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456170 607203334 /nfs/dbraw/zinc/20/33/34/607203334.db2.gz NXZFSLBYMRCLOO-KGLIPLIRSA-N -1 3 380.905 3.706 20 0 GHADHM CCc1cc(C)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)o1 ZINC000821469590 607208865 /nfs/dbraw/zinc/20/88/65/607208865.db2.gz GYAZSPVUSPDFGP-UHFFFAOYSA-N -1 3 393.369 3.535 20 0 GHADHM CCc1cc(C)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)o1 ZINC000821469590 607208866 /nfs/dbraw/zinc/20/88/66/607208866.db2.gz GYAZSPVUSPDFGP-UHFFFAOYSA-N -1 3 393.369 3.535 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820937995 607234330 /nfs/dbraw/zinc/23/43/30/607234330.db2.gz GJEPNUJZVNBVFJ-WBVHZDCISA-N -1 3 396.882 3.714 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820937995 607234331 /nfs/dbraw/zinc/23/43/31/607234331.db2.gz GJEPNUJZVNBVFJ-WBVHZDCISA-N -1 3 396.882 3.714 20 0 GHADHM CC(C)Oc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000820177905 607235629 /nfs/dbraw/zinc/23/56/29/607235629.db2.gz DARFMABKYRHPIL-UHFFFAOYSA-N -1 3 398.492 3.632 20 0 GHADHM CC(C)Oc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000820177905 607235630 /nfs/dbraw/zinc/23/56/30/607235630.db2.gz DARFMABKYRHPIL-UHFFFAOYSA-N -1 3 398.492 3.632 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CCOCC2)cc1 ZINC000822232282 607241430 /nfs/dbraw/zinc/24/14/30/607241430.db2.gz ZPIKRBLSMCCQMX-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CCOCC2)cc1 ZINC000822232282 607241431 /nfs/dbraw/zinc/24/14/31/607241431.db2.gz ZPIKRBLSMCCQMX-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825127881 607772394 /nfs/dbraw/zinc/77/23/94/607772394.db2.gz PEBVENIMLMZWJY-OAHLLOKOSA-N -1 3 399.545 3.646 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825127881 607772395 /nfs/dbraw/zinc/77/23/95/607772395.db2.gz PEBVENIMLMZWJY-OAHLLOKOSA-N -1 3 399.545 3.646 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000826422273 607774873 /nfs/dbraw/zinc/77/48/73/607774873.db2.gz SJTBIXDZRSWMHF-UHFFFAOYSA-N -1 3 399.458 3.501 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000826422273 607774874 /nfs/dbraw/zinc/77/48/74/607774874.db2.gz SJTBIXDZRSWMHF-UHFFFAOYSA-N -1 3 399.458 3.501 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(F)cc1F ZINC000824385340 607782911 /nfs/dbraw/zinc/78/29/11/607782911.db2.gz QUWOIMZWKPIMDM-SECBINFHSA-N -1 3 389.431 3.827 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(F)cc1F ZINC000824385340 607782912 /nfs/dbraw/zinc/78/29/12/607782912.db2.gz QUWOIMZWKPIMDM-SECBINFHSA-N -1 3 389.431 3.827 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC1CCCCC1)c1ccccn1 ZINC000826243944 607791720 /nfs/dbraw/zinc/79/17/20/607791720.db2.gz BMUBLZWHSYBOGS-UHFFFAOYSA-N -1 3 376.464 3.797 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC1CCCCC1)c1ccccn1 ZINC000826243944 607791721 /nfs/dbraw/zinc/79/17/21/607791721.db2.gz BMUBLZWHSYBOGS-UHFFFAOYSA-N -1 3 376.464 3.797 20 0 GHADHM CCN(C(=O)CSc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377204 607796490 /nfs/dbraw/zinc/79/64/90/607796490.db2.gz WRPRIEHMYKWSCC-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM CCN(C(=O)CSc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377204 607796491 /nfs/dbraw/zinc/79/64/91/607796491.db2.gz WRPRIEHMYKWSCC-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM CCN(C(=O)c1sccc1SC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390902 607800402 /nfs/dbraw/zinc/80/04/02/607800402.db2.gz PHRFXDUDNQBOCA-UHFFFAOYSA-N -1 3 381.433 3.910 20 0 GHADHM CCN(C(=O)c1sccc1SC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390902 607800403 /nfs/dbraw/zinc/80/04/03/607800403.db2.gz PHRFXDUDNQBOCA-UHFFFAOYSA-N -1 3 381.433 3.910 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826286968 607817133 /nfs/dbraw/zinc/81/71/33/607817133.db2.gz XHRPBWIEFJBPBF-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826286968 607817134 /nfs/dbraw/zinc/81/71/34/607817134.db2.gz XHRPBWIEFJBPBF-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824457321 607826078 /nfs/dbraw/zinc/82/60/78/607826078.db2.gz JQLSSOTYURBIGO-SNVBAGLBSA-N -1 3 387.896 3.888 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824457321 607826079 /nfs/dbraw/zinc/82/60/79/607826079.db2.gz JQLSSOTYURBIGO-SNVBAGLBSA-N -1 3 387.896 3.888 20 0 GHADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000826468157 607833795 /nfs/dbraw/zinc/83/37/95/607833795.db2.gz CREUJEZTPCEOHD-MRVPVSSYSA-N -1 3 394.184 3.588 20 0 GHADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000826468157 607833796 /nfs/dbraw/zinc/83/37/96/607833796.db2.gz CREUJEZTPCEOHD-MRVPVSSYSA-N -1 3 394.184 3.588 20 0 GHADHM CCCO[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825339386 607834039 /nfs/dbraw/zinc/83/40/39/607834039.db2.gz YRYLBESEAOITPW-GFCCVEGCSA-N -1 3 398.294 3.595 20 0 GHADHM CCCO[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825339386 607834040 /nfs/dbraw/zinc/83/40/40/607834040.db2.gz YRYLBESEAOITPW-GFCCVEGCSA-N -1 3 398.294 3.595 20 0 GHADHM CCOc1ccccc1CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825653519 607834291 /nfs/dbraw/zinc/83/42/91/607834291.db2.gz DLKMWFQSVQLYCQ-UHFFFAOYSA-N -1 3 392.246 3.502 20 0 GHADHM CCOc1ccccc1CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825653519 607834292 /nfs/dbraw/zinc/83/42/92/607834292.db2.gz DLKMWFQSVQLYCQ-UHFFFAOYSA-N -1 3 392.246 3.502 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000826453913 607854765 /nfs/dbraw/zinc/85/47/65/607854765.db2.gz DEGHGIIDCWLJGJ-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000826453913 607854766 /nfs/dbraw/zinc/85/47/66/607854766.db2.gz DEGHGIIDCWLJGJ-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362283 607877964 /nfs/dbraw/zinc/87/79/64/607877964.db2.gz LXQHIBLBKCAZFS-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362283 607877965 /nfs/dbraw/zinc/87/79/65/607877965.db2.gz LXQHIBLBKCAZFS-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)CSc1ccccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377177 607879124 /nfs/dbraw/zinc/87/91/24/607879124.db2.gz WETPYQVLAQMSML-UHFFFAOYSA-N -1 3 387.896 3.974 20 0 GHADHM CCN(C(=O)CSc1ccccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377177 607879125 /nfs/dbraw/zinc/87/91/25/607879125.db2.gz WETPYQVLAQMSML-UHFFFAOYSA-N -1 3 387.896 3.974 20 0 GHADHM CC1=CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CC1 ZINC000824851974 607911414 /nfs/dbraw/zinc/91/14/14/607911414.db2.gz GYRCKRXCDDSRBW-UHFFFAOYSA-N -1 3 377.473 3.810 20 0 GHADHM CC1=CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CC1 ZINC000824851974 607911415 /nfs/dbraw/zinc/91/14/15/607911415.db2.gz GYRCKRXCDDSRBW-UHFFFAOYSA-N -1 3 377.473 3.810 20 0 GHADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(Sc2ccccc2)CCCC1 ZINC000826426041 607950456 /nfs/dbraw/zinc/95/04/56/607950456.db2.gz CKSIGVPWAKUNLO-UHFFFAOYSA-N -1 3 391.500 3.861 20 0 GHADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(Sc2ccccc2)CCCC1 ZINC000826426041 607950457 /nfs/dbraw/zinc/95/04/57/607950457.db2.gz CKSIGVPWAKUNLO-UHFFFAOYSA-N -1 3 391.500 3.861 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406357 607951158 /nfs/dbraw/zinc/95/11/58/607951158.db2.gz SVQPTWHHLAYJHM-UHFFFAOYSA-N -1 3 399.454 3.768 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406357 607951159 /nfs/dbraw/zinc/95/11/59/607951159.db2.gz SVQPTWHHLAYJHM-UHFFFAOYSA-N -1 3 399.454 3.768 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826403187 607962635 /nfs/dbraw/zinc/96/26/35/607962635.db2.gz LVIUEOVXYYTOJI-AATRIKPKSA-N -1 3 386.868 3.507 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826403187 607962636 /nfs/dbraw/zinc/96/26/36/607962636.db2.gz LVIUEOVXYYTOJI-AATRIKPKSA-N -1 3 386.868 3.507 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000826185013 607965740 /nfs/dbraw/zinc/96/57/40/607965740.db2.gz VKPOJYBGFHCNLO-WBMJQRKESA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000826185013 607965741 /nfs/dbraw/zinc/96/57/41/607965741.db2.gz VKPOJYBGFHCNLO-WBMJQRKESA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(COc2ccc(Oc3ccccn3)cc2)cc1-c1nnn[n-]1 ZINC000826207410 607971971 /nfs/dbraw/zinc/97/19/71/607971971.db2.gz NDBKHPFAOGXREI-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM COc1ccc(COc2ccc(Oc3ccccn3)cc2)cc1-c1nn[n-]n1 ZINC000826207410 607971972 /nfs/dbraw/zinc/97/19/72/607971972.db2.gz NDBKHPFAOGXREI-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM C[C@@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824611920 607986300 /nfs/dbraw/zinc/98/63/00/607986300.db2.gz FVJWPTJTDUCNRP-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000824347478 607990796 /nfs/dbraw/zinc/99/07/96/607990796.db2.gz BECABHUDLSYLQK-QGZVFWFLSA-N -1 3 396.520 3.827 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000824347478 607990797 /nfs/dbraw/zinc/99/07/97/607990797.db2.gz BECABHUDLSYLQK-QGZVFWFLSA-N -1 3 396.520 3.827 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825687398 608003862 /nfs/dbraw/zinc/00/38/62/608003862.db2.gz IULWSOFJCYHMEI-NSHDSACASA-N -1 3 385.493 3.625 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000825687398 608003863 /nfs/dbraw/zinc/00/38/63/608003863.db2.gz IULWSOFJCYHMEI-NSHDSACASA-N -1 3 385.493 3.625 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826273685 608007957 /nfs/dbraw/zinc/00/79/57/608007957.db2.gz PQFYSRQTLSHOKH-UHFFFAOYSA-N -1 3 379.355 3.613 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826273685 608007958 /nfs/dbraw/zinc/00/79/58/608007958.db2.gz PQFYSRQTLSHOKH-UHFFFAOYSA-N -1 3 379.355 3.613 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)CCCN1Cc1ccccc1 ZINC000826477876 608023797 /nfs/dbraw/zinc/02/37/97/608023797.db2.gz OAFCBOOSCKNVHI-KRWDZBQOSA-N -1 3 399.907 3.803 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)CCCN1Cc1ccccc1 ZINC000826477876 608023798 /nfs/dbraw/zinc/02/37/98/608023798.db2.gz OAFCBOOSCKNVHI-KRWDZBQOSA-N -1 3 399.907 3.803 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826329455 608032359 /nfs/dbraw/zinc/03/23/59/608032359.db2.gz DTEUNTVQZNLJOB-UHFFFAOYSA-N -1 3 399.458 3.901 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826329455 608032360 /nfs/dbraw/zinc/03/23/60/608032360.db2.gz DTEUNTVQZNLJOB-UHFFFAOYSA-N -1 3 399.458 3.901 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1c(Cl)oc2ccccc12 ZINC000826483773 608046760 /nfs/dbraw/zinc/04/67/60/608046760.db2.gz ZKYKPUUPDSBEND-ZROIWOOFSA-N -1 3 391.774 3.611 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1c(Cl)oc2ccccc12 ZINC000826483773 608046761 /nfs/dbraw/zinc/04/67/61/608046761.db2.gz ZKYKPUUPDSBEND-ZROIWOOFSA-N -1 3 391.774 3.611 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1nc2ccccc2[nH]1 ZINC000824650978 608048694 /nfs/dbraw/zinc/04/86/94/608048694.db2.gz WOWMQNHGGNIPQD-SECBINFHSA-N -1 3 384.241 3.679 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCCCC2)C1 ZINC000823826734 608051318 /nfs/dbraw/zinc/05/13/18/608051318.db2.gz NYIWKSLOIVTWTF-ZDUSSCGKSA-N -1 3 392.301 3.923 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1-c1nnn[n-]1 ZINC000825545666 608072400 /nfs/dbraw/zinc/07/24/00/608072400.db2.gz VDYNURYMIFHXNV-UHFFFAOYSA-N -1 3 394.435 3.613 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1-c1nn[n-]n1 ZINC000825545666 608072401 /nfs/dbraw/zinc/07/24/01/608072401.db2.gz VDYNURYMIFHXNV-UHFFFAOYSA-N -1 3 394.435 3.613 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@H]3SCCS[C@H]23)ccc1-c1nnn[n-]1 ZINC000826368697 608098938 /nfs/dbraw/zinc/09/89/38/608098938.db2.gz YWKJLACBBOTKFD-JHJVBQTASA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@H]3SCCS[C@H]23)ccc1-c1nn[n-]n1 ZINC000826368697 608098939 /nfs/dbraw/zinc/09/89/39/608098939.db2.gz YWKJLACBBOTKFD-JHJVBQTASA-N -1 3 387.456 3.677 20 0 GHADHM CCc1ccc(NC(=S)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000825716925 608110180 /nfs/dbraw/zinc/11/01/80/608110180.db2.gz CXPIFOITYBMYQU-UHFFFAOYSA-N -1 3 392.492 3.608 20 0 GHADHM CCc1ccc(NC(=S)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000825716925 608110181 /nfs/dbraw/zinc/11/01/81/608110181.db2.gz CXPIFOITYBMYQU-UHFFFAOYSA-N -1 3 392.492 3.608 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451542 608114263 /nfs/dbraw/zinc/11/42/63/608114263.db2.gz LBZMKBGHQVQCNO-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451542 608114264 /nfs/dbraw/zinc/11/42/64/608114264.db2.gz LBZMKBGHQVQCNO-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824080688 608149614 /nfs/dbraw/zinc/14/96/14/608149614.db2.gz ZNTQLHDAVVUVKN-RISCZKNCSA-N -1 3 380.290 3.635 20 0 GHADHM O=C(N[C@@H]1CC12CCCCC2)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826428451 608165010 /nfs/dbraw/zinc/16/50/10/608165010.db2.gz BZQGKIQIFQCYCS-QGZVFWFLSA-N -1 3 390.447 3.507 20 0 GHADHM O=C(N[C@@H]1CC12CCCCC2)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826428451 608165011 /nfs/dbraw/zinc/16/50/11/608165011.db2.gz BZQGKIQIFQCYCS-QGZVFWFLSA-N -1 3 390.447 3.507 20 0 GHADHM Clc1cccc(SCc2noc(-c3ccsc3)n2)c1-c1nnn[n-]1 ZINC000826353155 608207598 /nfs/dbraw/zinc/20/75/98/608207598.db2.gz DEQQCMBHLPFXCT-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cccc(SCc2noc(-c3ccsc3)n2)c1-c1nn[n-]n1 ZINC000826353155 608207599 /nfs/dbraw/zinc/20/75/99/608207599.db2.gz DEQQCMBHLPFXCT-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000824655709 608224768 /nfs/dbraw/zinc/22/47/68/608224768.db2.gz FAFCZWUHVGRCRG-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000824655709 608224770 /nfs/dbraw/zinc/22/47/70/608224770.db2.gz FAFCZWUHVGRCRG-CQSZACIVSA-N -1 3 399.458 3.715 20 0 GHADHM Brc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000823826011 608226268 /nfs/dbraw/zinc/22/62/68/608226268.db2.gz AABAWQQAORCFHW-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000823826011 608226269 /nfs/dbraw/zinc/22/62/69/608226269.db2.gz AABAWQQAORCFHW-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826401090 608265319 /nfs/dbraw/zinc/26/53/19/608265319.db2.gz PFYFKJJPBRTSNZ-ALCCZGGFSA-N -1 3 376.445 3.550 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826401090 608265322 /nfs/dbraw/zinc/26/53/22/608265322.db2.gz PFYFKJJPBRTSNZ-ALCCZGGFSA-N -1 3 376.445 3.550 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824929179 608266280 /nfs/dbraw/zinc/26/62/80/608266280.db2.gz WXCSKRCYJFQPJX-PXNSSMCTSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824929179 608266282 /nfs/dbraw/zinc/26/62/82/608266282.db2.gz WXCSKRCYJFQPJX-PXNSSMCTSA-N -1 3 399.539 3.981 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826453447 608267912 /nfs/dbraw/zinc/26/79/12/608267912.db2.gz KXKFHHKNZGNTQO-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000826453447 608267913 /nfs/dbraw/zinc/26/79/13/608267913.db2.gz KXKFHHKNZGNTQO-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826225730 608292537 /nfs/dbraw/zinc/29/25/37/608292537.db2.gz JKKXSFMGFCDRHH-LBPRGKRZSA-N -1 3 384.465 3.524 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826225730 608292539 /nfs/dbraw/zinc/29/25/39/608292539.db2.gz JKKXSFMGFCDRHH-LBPRGKRZSA-N -1 3 384.465 3.524 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000826440810 608304567 /nfs/dbraw/zinc/30/45/67/608304567.db2.gz BHJCHANLZSYNAF-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000826440810 608304569 /nfs/dbraw/zinc/30/45/69/608304569.db2.gz BHJCHANLZSYNAF-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM CCc1cccnc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825728158 608306218 /nfs/dbraw/zinc/30/62/18/608306218.db2.gz JKDUWEFYVOJSRV-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1cccnc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825728158 608306221 /nfs/dbraw/zinc/30/62/21/608306221.db2.gz JKDUWEFYVOJSRV-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCCc2cc(F)ccc21 ZINC000826452931 608308698 /nfs/dbraw/zinc/30/86/98/608308698.db2.gz OQAZYQYPYQEIII-HNNXBMFYSA-N -1 3 386.818 3.858 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCCc2cc(F)ccc21 ZINC000826452931 608308700 /nfs/dbraw/zinc/30/87/00/608308700.db2.gz OQAZYQYPYQEIII-HNNXBMFYSA-N -1 3 386.818 3.858 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723274 608308980 /nfs/dbraw/zinc/30/89/80/608308980.db2.gz ONVKLSBRZLNGHD-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723274 608308982 /nfs/dbraw/zinc/30/89/82/608308982.db2.gz ONVKLSBRZLNGHD-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC(F)F)c(Cl)c1 ZINC000826170788 608319313 /nfs/dbraw/zinc/31/93/13/608319313.db2.gz PGTUNUZUPGRIAQ-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC(F)F)c(Cl)c1 ZINC000826170788 608319315 /nfs/dbraw/zinc/31/93/15/608319315.db2.gz PGTUNUZUPGRIAQ-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C)cc1OCC(F)(F)F ZINC000826170477 608320239 /nfs/dbraw/zinc/32/02/39/608320239.db2.gz BIOOWQOZDUHRTL-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C)cc1OCC(F)(F)F ZINC000826170477 608320242 /nfs/dbraw/zinc/32/02/42/608320242.db2.gz BIOOWQOZDUHRTL-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM CSCCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826228656 608329600 /nfs/dbraw/zinc/32/96/00/608329600.db2.gz WKTNHZXARLOVEC-UHFFFAOYSA-N -1 3 381.505 3.683 20 0 GHADHM CSCCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826228656 608329602 /nfs/dbraw/zinc/32/96/02/608329602.db2.gz WKTNHZXARLOVEC-UHFFFAOYSA-N -1 3 381.505 3.683 20 0 GHADHM CCCOc1cccc(CC(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825342733 608347007 /nfs/dbraw/zinc/34/70/07/608347007.db2.gz XALSCHXNRNFDOH-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCCOc1cccc(CC(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825342733 608347009 /nfs/dbraw/zinc/34/70/09/608347009.db2.gz XALSCHXNRNFDOH-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000824953292 608383578 /nfs/dbraw/zinc/38/35/78/608383578.db2.gz DRFNYFCSKHNKPF-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000824953292 608383580 /nfs/dbraw/zinc/38/35/80/608383580.db2.gz DRFNYFCSKHNKPF-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1cc(N2CCC[C@H]2c2ccncc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269497 608396519 /nfs/dbraw/zinc/39/65/19/608396519.db2.gz ODMWNKZNURMEIY-KRWDZBQOSA-N -1 3 396.458 3.713 20 0 GHADHM Cc1cc(N2CCC[C@H]2c2ccncc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269497 608396520 /nfs/dbraw/zinc/39/65/20/608396520.db2.gz ODMWNKZNURMEIY-KRWDZBQOSA-N -1 3 396.458 3.713 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000824019955 608397922 /nfs/dbraw/zinc/39/79/22/608397922.db2.gz WFQLDOMINGQKFA-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000824019955 608397924 /nfs/dbraw/zinc/39/79/24/608397924.db2.gz WFQLDOMINGQKFA-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CCC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000825242328 608426706 /nfs/dbraw/zinc/42/67/06/608426706.db2.gz OGEYSXFGVAZPFK-KRWDZBQOSA-N -1 3 375.436 3.548 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(C2CC2)nc2ccccc21 ZINC000826465854 608440694 /nfs/dbraw/zinc/44/06/94/608440694.db2.gz GGYPQYXGUMMICC-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(C2CC2)nc2ccccc21 ZINC000826465854 608440696 /nfs/dbraw/zinc/44/06/96/608440696.db2.gz GGYPQYXGUMMICC-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824449297 608450521 /nfs/dbraw/zinc/45/05/21/608450521.db2.gz NKIIDZUSUSXTDA-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824449297 608450522 /nfs/dbraw/zinc/45/05/22/608450522.db2.gz NKIIDZUSUSXTDA-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM COc1ccccc1-c1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826217754 608466219 /nfs/dbraw/zinc/46/62/19/608466219.db2.gz AULBFUZAWGWZSH-CYBMUJFWSA-N -1 3 392.488 3.850 20 0 GHADHM O=C(c1cccc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474456 608484470 /nfs/dbraw/zinc/48/44/70/608484470.db2.gz QRCGCRUXFPLVKC-UHFFFAOYSA-N -1 3 381.439 3.949 20 0 GHADHM O=C(c1cccc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474456 608484471 /nfs/dbraw/zinc/48/44/71/608484471.db2.gz QRCGCRUXFPLVKC-UHFFFAOYSA-N -1 3 381.439 3.949 20 0 GHADHM CC(C)n1ccn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1=S ZINC000824377978 608487976 /nfs/dbraw/zinc/48/79/76/608487976.db2.gz UWGVZKOIQBBTOO-UHFFFAOYSA-N -1 3 381.509 3.527 20 0 GHADHM CC(C)n1ccn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1=S ZINC000824377978 608487978 /nfs/dbraw/zinc/48/79/78/608487978.db2.gz UWGVZKOIQBBTOO-UHFFFAOYSA-N -1 3 381.509 3.527 20 0 GHADHM C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625051 608488364 /nfs/dbraw/zinc/48/83/64/608488364.db2.gz FBLLRLDKJRKMGP-LLVKDONJSA-N -1 3 382.374 3.651 20 0 GHADHM Cc1ccc(-c2nc(CN[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)co2)cc1 ZINC000826273729 608516357 /nfs/dbraw/zinc/51/63/57/608516357.db2.gz RCCVJFPDMFAFBE-FQEVSTJZSA-N -1 3 386.459 3.997 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1c(F)cccc1Cl ZINC000824634304 608553396 /nfs/dbraw/zinc/55/33/96/608553396.db2.gz VIQUUXADQALHJV-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1c(F)cccc1Cl ZINC000824634304 608553397 /nfs/dbraw/zinc/55/33/97/608553397.db2.gz VIQUUXADQALHJV-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM CCCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc2C1 ZINC000825300997 608575351 /nfs/dbraw/zinc/57/53/51/608575351.db2.gz HAUAFFBZKJTAFC-KRWDZBQOSA-N -1 3 395.894 3.930 20 0 GHADHM CCCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc2C1 ZINC000825300997 608575352 /nfs/dbraw/zinc/57/53/52/608575352.db2.gz HAUAFFBZKJTAFC-KRWDZBQOSA-N -1 3 395.894 3.930 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826287046 608577349 /nfs/dbraw/zinc/57/73/49/608577349.db2.gz AKYJKGFIWTYPAV-MRXNPFEDSA-N -1 3 381.867 3.676 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826287046 608577350 /nfs/dbraw/zinc/57/73/50/608577350.db2.gz AKYJKGFIWTYPAV-MRXNPFEDSA-N -1 3 381.867 3.676 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824284579 608587635 /nfs/dbraw/zinc/58/76/35/608587635.db2.gz JQKHVRDVSJTWJP-CYBMUJFWSA-N -1 3 380.452 3.515 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824284579 608587637 /nfs/dbraw/zinc/58/76/37/608587637.db2.gz JQKHVRDVSJTWJP-CYBMUJFWSA-N -1 3 380.452 3.515 20 0 GHADHM Clc1ccc2c(c1)OCCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826352648 608588501 /nfs/dbraw/zinc/58/85/01/608588501.db2.gz JBIACPVCCLIEKC-CYBMUJFWSA-N -1 3 377.235 3.894 20 0 GHADHM Clc1ccc2c(c1)OCCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826352648 608588503 /nfs/dbraw/zinc/58/85/03/608588503.db2.gz JBIACPVCCLIEKC-CYBMUJFWSA-N -1 3 377.235 3.894 20 0 GHADHM CCN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)CC(F)(F)F ZINC000825435223 608588486 /nfs/dbraw/zinc/58/84/86/608588486.db2.gz QFPUHVFOFMVXTQ-UHFFFAOYSA-N -1 3 391.397 3.830 20 0 GHADHM CCN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)CC(F)(F)F ZINC000825435223 608588488 /nfs/dbraw/zinc/58/84/88/608588488.db2.gz QFPUHVFOFMVXTQ-UHFFFAOYSA-N -1 3 391.397 3.830 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826355310 608620489 /nfs/dbraw/zinc/62/04/89/608620489.db2.gz SVUPBJIFKCYLGM-KRWDZBQOSA-N -1 3 379.493 3.542 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826355310 608620492 /nfs/dbraw/zinc/62/04/92/608620492.db2.gz SVUPBJIFKCYLGM-KRWDZBQOSA-N -1 3 379.493 3.542 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826400532 608640915 /nfs/dbraw/zinc/64/09/15/608640915.db2.gz AWRHFWGHPMILHG-KTKRTIGZSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826400532 608640916 /nfs/dbraw/zinc/64/09/16/608640916.db2.gz AWRHFWGHPMILHG-KTKRTIGZSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCc2cc(F)ccc2C1 ZINC000826469213 608645748 /nfs/dbraw/zinc/64/57/48/608645748.db2.gz XYQHVWBBFUHHHQ-UHFFFAOYSA-N -1 3 392.221 3.511 20 0 GHADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCc2cc(F)ccc2C1 ZINC000826469213 608645752 /nfs/dbraw/zinc/64/57/52/608645752.db2.gz XYQHVWBBFUHHHQ-UHFFFAOYSA-N -1 3 392.221 3.511 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)[C@@H](C)CO2)c1 ZINC000826284806 608651533 /nfs/dbraw/zinc/65/15/33/608651533.db2.gz GTCMERPEPLXHRP-HNAYVOBHSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)[C@@H](C)CO2)c1 ZINC000826284806 608651535 /nfs/dbraw/zinc/65/15/35/608651535.db2.gz GTCMERPEPLXHRP-HNAYVOBHSA-N -1 3 381.455 3.585 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824206798 608755372 /nfs/dbraw/zinc/75/53/72/608755372.db2.gz JAZWTBAHJADJRM-GOSISDBHSA-N -1 3 399.882 3.582 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824206798 608755374 /nfs/dbraw/zinc/75/53/74/608755374.db2.gz JAZWTBAHJADJRM-GOSISDBHSA-N -1 3 399.882 3.582 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1-c1ccc(C)cc1 ZINC000826281093 609148942 /nfs/dbraw/zinc/14/89/42/609148942.db2.gz DHJLSTFFSNMYGN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1-c1ccc(C)cc1 ZINC000826281093 609148943 /nfs/dbraw/zinc/14/89/43/609148943.db2.gz DHJLSTFFSNMYGN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Fc1cccc(F)c1[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000826371303 609152140 /nfs/dbraw/zinc/15/21/40/609152140.db2.gz AXFBXYSPSDCCML-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc(F)c1[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000826371303 609152142 /nfs/dbraw/zinc/15/21/42/609152142.db2.gz AXFBXYSPSDCCML-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380972 609162505 /nfs/dbraw/zinc/16/25/05/609162505.db2.gz XRFWNDKFKVDCCA-HUUCEWRRSA-N -1 3 393.495 3.566 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380972 609162506 /nfs/dbraw/zinc/16/25/06/609162506.db2.gz XRFWNDKFKVDCCA-HUUCEWRRSA-N -1 3 393.495 3.566 20 0 GHADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656825 609164019 /nfs/dbraw/zinc/16/40/19/609164019.db2.gz NIBZUSSETZGJEU-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656825 609164020 /nfs/dbraw/zinc/16/40/20/609164020.db2.gz NIBZUSSETZGJEU-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824242770 609170310 /nfs/dbraw/zinc/17/03/10/609170310.db2.gz BHQVZZHGDHYDBQ-OLZOCXBDSA-N -1 3 380.290 3.635 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2cccc(F)c2)o1 ZINC000825480853 609177722 /nfs/dbraw/zinc/17/77/22/609177722.db2.gz NLCLEHJNGWOHQJ-UHFFFAOYSA-N -1 3 379.399 3.705 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992671 609180297 /nfs/dbraw/zinc/18/02/97/609180297.db2.gz NMTUMGLFEWDPGW-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992671 609180299 /nfs/dbraw/zinc/18/02/99/609180299.db2.gz NMTUMGLFEWDPGW-QLFBSQMISA-N -1 3 396.470 3.793 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1-c1nnn[n-]1 ZINC000825686947 609183396 /nfs/dbraw/zinc/18/33/96/609183396.db2.gz CNBOXZGUASCAOL-JTQLQIEISA-N -1 3 385.497 3.527 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1-c1nn[n-]n1 ZINC000825686947 609183397 /nfs/dbraw/zinc/18/33/97/609183397.db2.gz CNBOXZGUASCAOL-JTQLQIEISA-N -1 3 385.497 3.527 20 0 GHADHM CCCc1ccc([C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2cccs2)cc1 ZINC000825348707 609190485 /nfs/dbraw/zinc/19/04/85/609190485.db2.gz XDYVWZZZIXBCEZ-SFHVURJKSA-N -1 3 392.488 3.728 20 0 GHADHM CCCc1ccc([C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2cccs2)cc1 ZINC000825348707 609190487 /nfs/dbraw/zinc/19/04/87/609190487.db2.gz XDYVWZZZIXBCEZ-SFHVURJKSA-N -1 3 392.488 3.728 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427615 609211685 /nfs/dbraw/zinc/21/16/85/609211685.db2.gz VMYPISMPJZFIJM-OAQYLSRUSA-N -1 3 394.438 3.867 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427615 609211686 /nfs/dbraw/zinc/21/16/86/609211686.db2.gz VMYPISMPJZFIJM-OAQYLSRUSA-N -1 3 394.438 3.867 20 0 GHADHM c1cc(O[C@@H]2CCOC2)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517877 609238110 /nfs/dbraw/zinc/23/81/10/609238110.db2.gz ROKHZRFOTDVOCE-QUCCMNQESA-N -1 3 377.448 3.524 20 0 GHADHM c1cc(O[C@@H]2CCOC2)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517877 609238111 /nfs/dbraw/zinc/23/81/11/609238111.db2.gz ROKHZRFOTDVOCE-QUCCMNQESA-N -1 3 377.448 3.524 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656791 609270135 /nfs/dbraw/zinc/27/01/35/609270135.db2.gz MWEOIEYUFGBISX-KPOBHBOGSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656791 609270137 /nfs/dbraw/zinc/27/01/37/609270137.db2.gz MWEOIEYUFGBISX-KPOBHBOGSA-N -1 3 379.464 3.722 20 0 GHADHM Cc1c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1C(=O)N1CCCC1 ZINC000826242357 609277131 /nfs/dbraw/zinc/27/71/31/609277131.db2.gz LOTWDUZBTFCBOW-OAHLLOKOSA-N -1 3 376.464 3.584 20 0 GHADHM Cc1c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1C(=O)N1CCCC1 ZINC000826242357 609277134 /nfs/dbraw/zinc/27/71/34/609277134.db2.gz LOTWDUZBTFCBOW-OAHLLOKOSA-N -1 3 376.464 3.584 20 0 GHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1N1CCSCC1 ZINC000826270838 609277702 /nfs/dbraw/zinc/27/77/02/609277702.db2.gz QTLXOBVQWGSQIB-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1N1CCSCC1 ZINC000826270838 609277704 /nfs/dbraw/zinc/27/77/04/609277704.db2.gz QTLXOBVQWGSQIB-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM C[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662241 609279111 /nfs/dbraw/zinc/27/91/11/609279111.db2.gz GLJZTBXTSNATMN-CYBMUJFWSA-N -1 3 379.855 3.938 20 0 GHADHM C[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662241 609279112 /nfs/dbraw/zinc/27/91/12/609279112.db2.gz GLJZTBXTSNATMN-CYBMUJFWSA-N -1 3 379.855 3.938 20 0 GHADHM Cc1cc(Cl)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000826267354 609280586 /nfs/dbraw/zinc/28/05/86/609280586.db2.gz BMKCUQHDNGQNSH-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM Cc1cc(Cl)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000826267354 609280588 /nfs/dbraw/zinc/28/05/88/609280588.db2.gz BMKCUQHDNGQNSH-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000825318212 609296668 /nfs/dbraw/zinc/29/66/68/609296668.db2.gz JNUFYVKLNXUXCF-UHFFFAOYSA-N -1 3 391.262 3.621 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000825318212 609296669 /nfs/dbraw/zinc/29/66/69/609296669.db2.gz JNUFYVKLNXUXCF-UHFFFAOYSA-N -1 3 391.262 3.621 20 0 GHADHM CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380763 609298512 /nfs/dbraw/zinc/29/85/12/609298512.db2.gz SRIYRDOALHPBBE-JTQLQIEISA-N -1 3 391.262 3.792 20 0 GHADHM CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380763 609298514 /nfs/dbraw/zinc/29/85/14/609298514.db2.gz SRIYRDOALHPBBE-JTQLQIEISA-N -1 3 391.262 3.792 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826155573 609314890 /nfs/dbraw/zinc/31/48/90/609314890.db2.gz UUWQMDAUFQEBQF-LBPRGKRZSA-N -1 3 377.514 3.588 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826155573 609314892 /nfs/dbraw/zinc/31/48/92/609314892.db2.gz UUWQMDAUFQEBQF-LBPRGKRZSA-N -1 3 377.514 3.588 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826228337 609321217 /nfs/dbraw/zinc/32/12/17/609321217.db2.gz LZWNTLSHBMIVMR-CYBMUJFWSA-N -1 3 383.477 3.530 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826228337 609321219 /nfs/dbraw/zinc/32/12/19/609321219.db2.gz LZWNTLSHBMIVMR-CYBMUJFWSA-N -1 3 383.477 3.530 20 0 GHADHM C[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626645 609327552 /nfs/dbraw/zinc/32/75/52/609327552.db2.gz QGSGZGZWDRWCOH-LLVKDONJSA-N -1 3 395.360 3.798 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663381 609347802 /nfs/dbraw/zinc/34/78/02/609347802.db2.gz YQRGMRLPWSAMPM-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663381 609347805 /nfs/dbraw/zinc/34/78/05/609347805.db2.gz YQRGMRLPWSAMPM-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(OC)cc1Cl ZINC000826180497 609349773 /nfs/dbraw/zinc/34/97/73/609349773.db2.gz KAHLDYHEJHYGPO-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(OC)cc1Cl ZINC000826180497 609349775 /nfs/dbraw/zinc/34/97/75/609349775.db2.gz KAHLDYHEJHYGPO-SECBINFHSA-N -1 3 377.807 3.850 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826246472 609349913 /nfs/dbraw/zinc/34/99/13/609349913.db2.gz DTNWHVOVPIEQEA-SFHVURJKSA-N -1 3 377.423 3.680 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826246472 609349916 /nfs/dbraw/zinc/34/99/16/609349916.db2.gz DTNWHVOVPIEQEA-SFHVURJKSA-N -1 3 377.423 3.680 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(SC(F)F)cc1 ZINC000826483475 609370001 /nfs/dbraw/zinc/37/00/01/609370001.db2.gz ORGIWGUPYNTJEP-ZROIWOOFSA-N -1 3 399.382 3.526 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(SC(F)F)cc1 ZINC000826483475 609370003 /nfs/dbraw/zinc/37/00/03/609370003.db2.gz ORGIWGUPYNTJEP-ZROIWOOFSA-N -1 3 399.382 3.526 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184491 609378030 /nfs/dbraw/zinc/37/80/30/609378030.db2.gz VGONOKZEHPAJEC-HOTGVXAUSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184491 609378032 /nfs/dbraw/zinc/37/80/32/609378032.db2.gz VGONOKZEHPAJEC-HOTGVXAUSA-N -1 3 395.463 3.588 20 0 GHADHM CCCn1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000825356664 609380675 /nfs/dbraw/zinc/38/06/75/609380675.db2.gz CZTRSKRANIAKGN-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM CCCn1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000825356963 609382413 /nfs/dbraw/zinc/38/24/13/609382413.db2.gz SBUSUBUQQFUKDY-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM CCCn1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000825356963 609382415 /nfs/dbraw/zinc/38/24/15/609382415.db2.gz SBUSUBUQQFUKDY-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM COCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)CC1 ZINC000826152598 609444170 /nfs/dbraw/zinc/44/41/70/609444170.db2.gz GURKOUGNNIRILI-UHFFFAOYSA-N -1 3 399.838 3.678 20 0 GHADHM COCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)CC1 ZINC000826152598 609444173 /nfs/dbraw/zinc/44/41/73/609444173.db2.gz GURKOUGNNIRILI-UHFFFAOYSA-N -1 3 399.838 3.678 20 0 GHADHM Fc1ccc(F)c(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826374603 609446549 /nfs/dbraw/zinc/44/65/49/609446549.db2.gz FKPCQDPOWKKARM-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1ccc(F)c(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826374603 609446552 /nfs/dbraw/zinc/44/65/52/609446552.db2.gz FKPCQDPOWKKARM-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)s2)cc(F)c1N1CCCCC1 ZINC000826373086 609446872 /nfs/dbraw/zinc/44/68/72/609446872.db2.gz YXOLSLGHUUVIEI-UHFFFAOYSA-N -1 3 376.436 3.809 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)cc1 ZINC000826211466 609454874 /nfs/dbraw/zinc/45/48/74/609454874.db2.gz FRQXXNBLTBAVMX-UHFFFAOYSA-N -1 3 392.444 3.607 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)cc1 ZINC000826211466 609454875 /nfs/dbraw/zinc/45/48/75/609454875.db2.gz FRQXXNBLTBAVMX-UHFFFAOYSA-N -1 3 392.444 3.607 20 0 GHADHM Cc1nc(-c2ccc(CNc3nc4ccccn4c3-c3nnn[n-]3)s2)cs1 ZINC000826322265 609457873 /nfs/dbraw/zinc/45/78/73/609457873.db2.gz FKQXKAUMMHTOMF-UHFFFAOYSA-N -1 3 394.489 3.620 20 0 GHADHM Cc1nc(-c2ccc(CNc3nc4ccccn4c3-c3nn[n-]n3)s2)cs1 ZINC000826322265 609457876 /nfs/dbraw/zinc/45/78/76/609457876.db2.gz FKQXKAUMMHTOMF-UHFFFAOYSA-N -1 3 394.489 3.620 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCOCC1 ZINC000825164501 609458574 /nfs/dbraw/zinc/45/85/74/609458574.db2.gz BLMLTLHSTVFIAW-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCOCC1 ZINC000825164501 609458576 /nfs/dbraw/zinc/45/85/76/609458576.db2.gz BLMLTLHSTVFIAW-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM Fc1c(CNc2ccccc2OC[C@@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC000826370640 609476421 /nfs/dbraw/zinc/47/64/21/609476421.db2.gz BOWGXAFDVZQLMN-HNNXBMFYSA-N -1 3 383.427 3.566 20 0 GHADHM Fc1c(CNc2ccccc2OC[C@@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC000826370640 609476423 /nfs/dbraw/zinc/47/64/23/609476423.db2.gz BOWGXAFDVZQLMN-HNNXBMFYSA-N -1 3 383.427 3.566 20 0 GHADHM CCOc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1OC ZINC000825616067 609478540 /nfs/dbraw/zinc/47/85/40/609478540.db2.gz VKQXKZSZAHJGGF-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CCOc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1OC ZINC000825616067 609478542 /nfs/dbraw/zinc/47/85/42/609478542.db2.gz VKQXKZSZAHJGGF-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cscc2Cl)cc1-c1nnn[n-]1 ZINC000825552601 609487363 /nfs/dbraw/zinc/48/73/63/609487363.db2.gz ATODCBQCHGWKKC-UHFFFAOYSA-N -1 3 378.845 3.762 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cscc2Cl)cc1-c1nn[n-]n1 ZINC000825552601 609487364 /nfs/dbraw/zinc/48/73/64/609487364.db2.gz ATODCBQCHGWKKC-UHFFFAOYSA-N -1 3 378.845 3.762 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826104325 609490349 /nfs/dbraw/zinc/49/03/49/609490349.db2.gz UPSMMBUBHMPHSP-CQSZACIVSA-N -1 3 392.843 3.536 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826104325 609490350 /nfs/dbraw/zinc/49/03/50/609490350.db2.gz UPSMMBUBHMPHSP-CQSZACIVSA-N -1 3 392.843 3.536 20 0 GHADHM CC(C)Oc1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000824329588 609492046 /nfs/dbraw/zinc/49/20/46/609492046.db2.gz RVOGPKYZMLNFTC-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM CC(C)Oc1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000824329588 609492047 /nfs/dbraw/zinc/49/20/47/609492047.db2.gz RVOGPKYZMLNFTC-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM Cc1cc(C(=O)N2CC[C@H](C)c3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257962 609530538 /nfs/dbraw/zinc/53/05/38/609530538.db2.gz VEOAYWJCLNDUTN-AWEZNQCLSA-N -1 3 399.458 3.515 20 0 GHADHM Cc1cc(C(=O)N2CC[C@H](C)c3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257962 609530541 /nfs/dbraw/zinc/53/05/41/609530541.db2.gz VEOAYWJCLNDUTN-AWEZNQCLSA-N -1 3 399.458 3.515 20 0 GHADHM CO[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826166700 609610161 /nfs/dbraw/zinc/61/01/61/609610161.db2.gz WUESODJYXOAXRH-OAQYLSRUSA-N -1 3 399.454 3.538 20 0 GHADHM CO[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826166700 609610162 /nfs/dbraw/zinc/61/01/62/609610162.db2.gz WUESODJYXOAXRH-OAQYLSRUSA-N -1 3 399.454 3.538 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826409318 609617572 /nfs/dbraw/zinc/61/75/72/609617572.db2.gz RIDNGCZZYYKOHV-UHFFFAOYSA-N -1 3 381.823 3.677 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826409318 609617573 /nfs/dbraw/zinc/61/75/73/609617573.db2.gz RIDNGCZZYYKOHV-UHFFFAOYSA-N -1 3 381.823 3.677 20 0 GHADHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3F)no2)n1 ZINC001125365676 837405353 /nfs/dbraw/zinc/40/53/53/837405353.db2.gz VQPPXYCDEUOJQG-UHFFFAOYSA-N -1 3 395.799 3.558 20 0 GHADHM Cc1ccc(S(=O)(=O)CCCO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000180745892 837515181 /nfs/dbraw/zinc/51/51/81/837515181.db2.gz KCTYRAJFJKOCCQ-UHFFFAOYSA-N -1 3 397.496 3.603 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCN(c4ccccc4F)CC3)nc2)n1 ZINC000376235641 837516200 /nfs/dbraw/zinc/51/62/00/837516200.db2.gz UYRKPDFHCRUGFM-UHFFFAOYSA-N -1 3 393.466 3.662 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)cc1 ZINC000414388857 837589045 /nfs/dbraw/zinc/58/90/45/837589045.db2.gz NPYNFRGOGRWXQU-LLVKDONJSA-N -1 3 378.425 3.585 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000169853693 834544172 /nfs/dbraw/zinc/54/41/72/834544172.db2.gz OTVDDOICJKRPLU-UHFFFAOYSA-N -1 3 393.270 3.734 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])c2)oc1C ZINC000170827677 834634293 /nfs/dbraw/zinc/63/42/93/834634293.db2.gz CCFQQHHKRNRUCH-UHFFFAOYSA-N -1 3 393.443 3.731 20 0 GHADHM NC(=O)CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC000094089804 834722909 /nfs/dbraw/zinc/72/29/09/834722909.db2.gz RKMBPNXSZUTMNM-UHFFFAOYSA-N -1 3 388.467 3.700 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000094138687 834727128 /nfs/dbraw/zinc/72/71/28/834727128.db2.gz MIIASCVMCIHFOL-UHFFFAOYSA-N -1 3 397.809 3.897 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1OC ZINC000140684477 834757598 /nfs/dbraw/zinc/75/75/98/834757598.db2.gz OIBANAZKYXKZHI-UHFFFAOYSA-N -1 3 388.445 3.764 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1 ZINC000148504526 834844400 /nfs/dbraw/zinc/84/44/00/834844400.db2.gz MUYGCLNKKXEDBC-UHFFFAOYSA-N -1 3 382.869 3.888 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCCC[C@H]3CCC(C)C)c(=O)c2c(OC)c1 ZINC000626110322 834883879 /nfs/dbraw/zinc/88/38/79/834883879.db2.gz XUVHEGGHJRGCGG-HNNXBMFYSA-N -1 3 386.492 3.976 20 0 GHADHM CCOc1c(Br)cc(CNCc2cccc(C(=O)[O-])c2)cc1OC ZINC000683176866 834932240 /nfs/dbraw/zinc/93/22/40/834932240.db2.gz VGNOFJRVCCKPCC-UHFFFAOYSA-N -1 3 394.265 3.844 20 0 GHADHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000029395712 834979932 /nfs/dbraw/zinc/97/99/32/834979932.db2.gz UWBRSHHOOMGSEF-UHFFFAOYSA-N -1 3 384.832 3.645 20 0 GHADHM O=S(=O)(Cc1ccc2ccccc2c1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000685506523 835050978 /nfs/dbraw/zinc/05/09/78/835050978.db2.gz RDYGKDOTOMMNSY-QGZVFWFLSA-N -1 3 375.396 3.671 20 0 GHADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OCC1CCOCC1 ZINC000255617332 835253388 /nfs/dbraw/zinc/25/33/88/835253388.db2.gz DNOVFOAGRIXQNQ-MOSHPQCFSA-N -1 3 392.455 3.523 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccnc(C2CC2)c1 ZINC000611983461 835301668 /nfs/dbraw/zinc/30/16/68/835301668.db2.gz MRTADGGZDJCGAY-UHFFFAOYSA-N -1 3 380.185 3.522 20 0 GHADHM Cc1cccc(NC(=O)Cc2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)c1 ZINC000685686038 835337039 /nfs/dbraw/zinc/33/70/39/835337039.db2.gz JYIQGGPYMXARJZ-UHFFFAOYSA-N -1 3 388.786 3.604 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3c3cccnc3)cc2)cc(=O)[n-]1 ZINC000509860426 844043663 /nfs/dbraw/zinc/04/36/63/844043663.db2.gz QZHJWJQVFKWEKO-LJQANCHMSA-N -1 3 375.432 3.922 20 0 GHADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2ncccc2[O-])c1 ZINC000471169266 835362583 /nfs/dbraw/zinc/36/25/83/835362583.db2.gz LNFPFNZBPIKGJV-UHFFFAOYSA-N -1 3 379.464 3.901 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2)cc1 ZINC000274799281 835374858 /nfs/dbraw/zinc/37/48/58/835374858.db2.gz JSAMDNCAMYRKHC-LJQANCHMSA-N -1 3 399.447 3.917 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2)cc1 ZINC000274799281 835374868 /nfs/dbraw/zinc/37/48/68/835374868.db2.gz JSAMDNCAMYRKHC-LJQANCHMSA-N -1 3 399.447 3.917 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c([O-])c1 ZINC000536189596 835418810 /nfs/dbraw/zinc/41/88/10/835418810.db2.gz ALMUCWRILVACQS-UHFFFAOYSA-N -1 3 393.443 3.683 20 0 GHADHM COc1ccc(CCC(=O)NCc2ccc([O-])c(F)c2)cc1Br ZINC000132982732 835460804 /nfs/dbraw/zinc/46/08/04/835460804.db2.gz GYSRFZDERRNQHR-UHFFFAOYSA-N -1 3 382.229 3.551 20 0 GHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1C1CC1 ZINC000472312515 835656450 /nfs/dbraw/zinc/65/64/50/835656450.db2.gz DYRMGQYRTFLDRD-WPRPVWTQSA-N -1 3 383.728 3.550 20 0 GHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1C1CC1 ZINC000472312514 835656794 /nfs/dbraw/zinc/65/67/94/835656794.db2.gz DYRMGQYRTFLDRD-WCBMZHEXSA-N -1 3 383.728 3.550 20 0 GHADHM O=C(Cc1cccc(Br)c1)NCc1ccc([O-])c(Br)c1 ZINC000151623945 835663729 /nfs/dbraw/zinc/66/37/29/835663729.db2.gz MAUJCJIBSVQIMS-UHFFFAOYSA-N -1 3 399.082 3.776 20 0 GHADHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1OC(C)C ZINC000151634615 835677728 /nfs/dbraw/zinc/67/77/28/835677728.db2.gz OYGBDCIGXZPSPQ-UHFFFAOYSA-N -1 3 394.265 3.881 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCOC2)n[nH]1)c1ccc(Cl)c2ccccc21 ZINC000584148052 835694522 /nfs/dbraw/zinc/69/45/22/835694522.db2.gz CPPDVDNQDZAZPH-LBPRGKRZSA-N -1 3 391.880 3.911 20 0 GHADHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000728586032 835713266 /nfs/dbraw/zinc/71/32/66/835713266.db2.gz GANKPWNUPFSPDP-LBPRGKRZSA-N -1 3 391.386 3.899 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000412399691 844080752 /nfs/dbraw/zinc/08/07/52/844080752.db2.gz UIRDHLCJMMJEBW-UHFFFAOYSA-N -1 3 378.350 3.609 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000021700239 835790108 /nfs/dbraw/zinc/79/01/08/835790108.db2.gz KVHBKNPXTGSYOF-GFCCVEGCSA-N -1 3 382.485 3.937 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000255014514 835865017 /nfs/dbraw/zinc/86/50/17/835865017.db2.gz XDHCYLVMCQYKSM-YLGBQOPLSA-N -1 3 379.457 3.908 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1OCC1CC1 ZINC000511332791 835945293 /nfs/dbraw/zinc/94/52/93/835945293.db2.gz KEKMFPILMVJFKL-UHFFFAOYSA-N -1 3 386.249 3.560 20 0 GHADHM CCCOc1c(Br)cc(C(=O)Nc2ncccc2[O-])cc1OC ZINC000045574538 835950502 /nfs/dbraw/zinc/95/05/02/835950502.db2.gz RVKYEXVKRMYTFR-UHFFFAOYSA-N -1 3 381.226 3.599 20 0 GHADHM COc1cc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)cc(OC)c1[O-] ZINC000275033232 835989597 /nfs/dbraw/zinc/98/95/97/835989597.db2.gz WORCUDKJFMJXLB-UHFFFAOYSA-N -1 3 398.419 3.656 20 0 GHADHM COc1ccc(C[NH2+]CC2(CC(=O)[O-])CCCCC2)c(Br)c1[O-] ZINC000276953220 844131144 /nfs/dbraw/zinc/13/11/44/844131144.db2.gz FBROYSBJVOKXNO-UHFFFAOYSA-N -1 3 386.286 3.678 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC2(CCC2)C1 ZINC000584482731 836259872 /nfs/dbraw/zinc/25/98/72/836259872.db2.gz IJBCQDHTEBINRO-UHFFFAOYSA-N -1 3 395.684 3.960 20 0 GHADHM CNC(=O)[C@H]1CCCc2sc(/C=C\c3cccc([O-])c3Br)nc21 ZINC000570060455 836350095 /nfs/dbraw/zinc/35/00/95/836350095.db2.gz VHTUVJCRWBYDSH-IQQGHNRFSA-N -1 3 393.306 3.948 20 0 GHADHM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000175449551 836830405 /nfs/dbraw/zinc/83/04/05/836830405.db2.gz HMJLLDNPVOHAKO-NDEPHWFRSA-N -1 3 393.508 3.993 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC2=CCCCCC2)cc1Cl ZINC000186031303 837030331 /nfs/dbraw/zinc/03/03/31/837030331.db2.gz SFPWGJYOEAGGLV-UHFFFAOYSA-N -1 3 388.892 3.996 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613025418 837105584 /nfs/dbraw/zinc/10/55/84/837105584.db2.gz BPHIAHWNXCRNCH-DOMZBBRYSA-N -1 3 397.656 3.919 20 0 GHADHM O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032247 844246665 /nfs/dbraw/zinc/24/66/65/844246665.db2.gz VGGVMLLEAVQZQJ-OAHLLOKOSA-N -1 3 394.349 3.534 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)[n-]1 ZINC000431729841 837185487 /nfs/dbraw/zinc/18/54/87/837185487.db2.gz FGYXNNUSONCBNA-UHFFFAOYSA-N -1 3 382.445 3.612 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000030372204 837301126 /nfs/dbraw/zinc/30/11/26/837301126.db2.gz VTTFYUREELFFLQ-UHFFFAOYSA-N -1 3 384.723 3.826 20 0 GHADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1OCC(F)F ZINC000414075478 837380635 /nfs/dbraw/zinc/38/06/35/837380635.db2.gz NWGWJVWFISVECG-ZZXKWVIFSA-N -1 3 378.375 3.891 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(OC(F)(F)F)c1 ZINC000177310125 837878110 /nfs/dbraw/zinc/87/81/10/837878110.db2.gz LETPWKMGXYOXJQ-NSHDSACASA-N -1 3 376.334 3.918 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2sc3c(c2Br)CNC3)s1 ZINC000659264614 838030577 /nfs/dbraw/zinc/03/05/77/838030577.db2.gz KHRRIFCOGRZIIA-UHFFFAOYSA-N -1 3 387.328 3.515 20 0 GHADHM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584540319 838112723 /nfs/dbraw/zinc/11/27/23/838112723.db2.gz UPPYFFPXCCVBFU-UHFFFAOYSA-N -1 3 379.382 3.783 20 0 GHADHM O=C(CCCc1ccc(C2CC2)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000891022726 838132222 /nfs/dbraw/zinc/13/22/22/838132222.db2.gz ZPYDXWYAWCHIMM-MRXNPFEDSA-N -1 3 396.453 3.804 20 0 GHADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccc(F)cc1 ZINC000181875735 838214645 /nfs/dbraw/zinc/21/46/45/838214645.db2.gz LYWVDDZHQXFYPW-UHFFFAOYSA-N -1 3 380.383 3.513 20 0 GHADHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000579983242 838267408 /nfs/dbraw/zinc/26/74/08/838267408.db2.gz LEGBAKNLTWTBAA-VIFPVBQESA-N -1 3 390.330 3.744 20 0 GHADHM c1sc(-c2ccccn2)nc1C[N-]c1nnc([C@H]2COc3ccccc3O2)o1 ZINC000185902022 838291817 /nfs/dbraw/zinc/29/18/17/838291817.db2.gz RMZGTFLNBPBBIY-MRXNPFEDSA-N -1 3 393.428 3.713 20 0 GHADHM CC(C)Cn1nccc1CN[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000647646701 838318898 /nfs/dbraw/zinc/31/88/98/838318898.db2.gz JYDNUTYMAXUYFU-CXAGYDPISA-N -1 3 394.313 3.853 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nc2c(s1)CCC2 ZINC000584518802 838347061 /nfs/dbraw/zinc/34/70/61/838347061.db2.gz OJXRFJWFPPJGAG-QMMMGPOBSA-N -1 3 377.318 3.978 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000123295604 838486373 /nfs/dbraw/zinc/48/63/73/838486373.db2.gz VVUSYQSATIZMES-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000123295604 838486381 /nfs/dbraw/zinc/48/63/81/838486381.db2.gz VVUSYQSATIZMES-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM O=C([N-]c1nc(-c2ccc[nH]2)cs1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000178932599 838495535 /nfs/dbraw/zinc/49/55/35/838495535.db2.gz XHCWSJUGNJGFJU-UHFFFAOYSA-N -1 3 378.413 3.980 20 0 GHADHM CCc1onc(C)c1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180064510 838555144 /nfs/dbraw/zinc/55/51/44/838555144.db2.gz WJLBWWJGPVRSMW-GOSISDBHSA-N -1 3 393.443 3.751 20 0 GHADHM CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179937531 838556300 /nfs/dbraw/zinc/55/63/00/838556300.db2.gz LYIVDOWORQGEBP-OAHLLOKOSA-N -1 3 398.488 3.835 20 0 GHADHM Cc1n[nH]c(=O)c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1C ZINC000179936681 838556444 /nfs/dbraw/zinc/55/64/44/838556444.db2.gz QAHBOGRLJMIHSS-UHFFFAOYSA-N -1 3 392.440 3.621 20 0 GHADHM COc1cc(CNC(=O)c2ccc(C)cc2[O-])ccc1OCc1cccnc1 ZINC000042370143 838557887 /nfs/dbraw/zinc/55/78/87/838557887.db2.gz FVMXANPGCAQTNM-UHFFFAOYSA-N -1 3 378.428 3.613 20 0 GHADHM O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181764382 838635406 /nfs/dbraw/zinc/63/54/06/838635406.db2.gz LPTCKMLMEWRSNW-OAHLLOKOSA-N -1 3 379.243 3.942 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000659798599 838680555 /nfs/dbraw/zinc/68/05/55/838680555.db2.gz KBUZXXHVYIGGGD-ABAIWWIYSA-N -1 3 375.494 3.716 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Br)sc3C)cc2[nH]1 ZINC000122406827 838692214 /nfs/dbraw/zinc/69/22/14/838692214.db2.gz NJTIXUYFOZIXEK-UHFFFAOYSA-N -1 3 386.296 3.805 20 0 GHADHM CCC1(CC)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[S@]1=O ZINC000183853490 838759743 /nfs/dbraw/zinc/75/97/43/838759743.db2.gz FQHAISMMYWDYKR-HHHXNRCGSA-N -1 3 387.501 3.948 20 0 GHADHM CC(C)c1ccc(-c2nc(CC(=O)N3CCCc4c(=O)[n-]cnc43)cs2)cc1 ZINC000893203508 838862076 /nfs/dbraw/zinc/86/20/76/838862076.db2.gz GOQAGNQTFOPWGY-UHFFFAOYSA-N -1 3 394.500 3.951 20 0 GHADHM Cc1nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sc1C ZINC000182944442 838868693 /nfs/dbraw/zinc/86/86/93/838868693.db2.gz OQLYAFIBXFETMM-GOSISDBHSA-N -1 3 395.484 3.965 20 0 GHADHM C[C@H](CC(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc(F)c(Br)c1 ZINC000893205265 838873641 /nfs/dbraw/zinc/87/36/41/838873641.db2.gz SGMRDVFUCMILBN-SNVBAGLBSA-N -1 3 394.244 3.557 20 0 GHADHM CCc1ccccc1O[C@@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1 ZINC000893216245 838986914 /nfs/dbraw/zinc/98/69/14/838986914.db2.gz OSXUQPFAAZZZAO-HXUWFJFHSA-N -1 3 389.455 3.844 20 0 GHADHM O=C(c1cccnc1SCC1CCCCC1)N1CCCc2c(=O)[n-]cnc21 ZINC000893216932 838999868 /nfs/dbraw/zinc/99/98/68/838999868.db2.gz YTRSYANICXPIEC-UHFFFAOYSA-N -1 3 384.505 3.843 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)c(C)c1 ZINC000301492545 844388362 /nfs/dbraw/zinc/38/83/62/844388362.db2.gz LARRTONUMOIHTK-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1Cc2ccccc2C1 ZINC000183674739 839032533 /nfs/dbraw/zinc/03/25/33/839032533.db2.gz LJJGQWWEVUKZKL-JOCHJYFZSA-N -1 3 386.451 3.796 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cn1C ZINC000416368004 839074980 /nfs/dbraw/zinc/07/49/80/839074980.db2.gz GJUKIXXPLDCGMW-ZDUSSCGKSA-N -1 3 375.416 3.516 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)c([O-])c1 ZINC000580226387 839089377 /nfs/dbraw/zinc/08/93/77/839089377.db2.gz ZSIVAOVKYQGXQW-CYBMUJFWSA-N -1 3 396.447 3.845 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1C ZINC000580236523 839106435 /nfs/dbraw/zinc/10/64/35/839106435.db2.gz AGPIESYNQNQPPT-UHFFFAOYSA-N -1 3 393.505 3.755 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)s1 ZINC000416415953 839185780 /nfs/dbraw/zinc/18/57/80/839185780.db2.gz JMVFAAPPWUXRLP-SECBINFHSA-N -1 3 393.303 3.701 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000167181235 839260715 /nfs/dbraw/zinc/26/07/15/839260715.db2.gz HRKRQUZBHSZHQJ-UHFFFAOYSA-N -1 3 393.443 3.805 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000024044247 839507960 /nfs/dbraw/zinc/50/79/60/839507960.db2.gz CXVNGGHCFXTAKI-SECBINFHSA-N -1 3 387.650 3.875 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C2CC2)cc1 ZINC000416663527 839515215 /nfs/dbraw/zinc/51/52/15/839515215.db2.gz MCLLVFNDRZYJCM-LBPRGKRZSA-N -1 3 377.437 3.529 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000683937689 839561285 /nfs/dbraw/zinc/56/12/85/839561285.db2.gz LTKSKUWGCMPAQC-CQSZACIVSA-N -1 3 397.777 3.912 20 0 GHADHM COc1cccc(Cc2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)c1 ZINC000377519656 839674157 /nfs/dbraw/zinc/67/41/57/839674157.db2.gz ONVPYTQXFTUZOV-UHFFFAOYSA-N -1 3 396.428 3.717 20 0 GHADHM CC(C)(C)Nc1cc(F)c(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)cc1N ZINC000660104396 840234403 /nfs/dbraw/zinc/23/44/03/840234403.db2.gz PDWHMRLIQMKZQO-UHFFFAOYSA-N -1 3 381.464 3.578 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)N3CC[C@](C(=O)[O-])(c4ccccc4)C3)n2)cc1F ZINC000581077295 840676696 /nfs/dbraw/zinc/67/66/96/840676696.db2.gz KTAMQRYCOUXSEK-IVZQSRNASA-N -1 3 395.434 3.973 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1CCCC1 ZINC000033054141 840748642 /nfs/dbraw/zinc/74/86/42/840748642.db2.gz RUCSBQYZPXKGBB-UHFFFAOYSA-N -1 3 390.480 3.855 20 0 GHADHM O=C(CCc1ccc(F)cc1)Nc1cc(I)ccc1[O-] ZINC000610490455 840953255 /nfs/dbraw/zinc/95/32/55/840953255.db2.gz PKQBSPOYWVEZIM-UHFFFAOYSA-N -1 3 385.176 3.707 20 0 GHADHM CCC[C@H](C)C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000417568011 841017881 /nfs/dbraw/zinc/01/78/81/841017881.db2.gz SQZHTBIRBIHOQP-WFASDCNBSA-N -1 3 376.478 3.908 20 0 GHADHM CCC[C@@H](C)C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000417568009 841018267 /nfs/dbraw/zinc/01/82/67/841018267.db2.gz SQZHTBIRBIHOQP-IUODEOHRSA-N -1 3 376.478 3.908 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC000417630483 841069526 /nfs/dbraw/zinc/06/95/26/841069526.db2.gz WPURJYZPKHZLPJ-GOSISDBHSA-N -1 3 388.439 3.552 20 0 GHADHM CC(C)=CCSC[C@H](NCc1ccc(F)cc1Br)C(=O)[O-] ZINC000417626210 841077648 /nfs/dbraw/zinc/07/76/48/841077648.db2.gz NPVOBEPGDWAEKK-AWEZNQCLSA-N -1 3 376.291 3.830 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(F)(F)F ZINC000417626134 841078078 /nfs/dbraw/zinc/07/80/78/841078078.db2.gz MVEWGXTUKALFET-LBPRGKRZSA-N -1 3 395.303 3.634 20 0 GHADHM C[C@H]([C@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-])C1CC1 ZINC000417639131 841090707 /nfs/dbraw/zinc/09/07/07/841090707.db2.gz LHFLYTTWWRGWMT-GTNSWQLSSA-N -1 3 380.897 3.964 20 0 GHADHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000189226199 841166848 /nfs/dbraw/zinc/16/68/48/841166848.db2.gz CNTUTCZOJPGRIW-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)cc1 ZINC000432918548 844627407 /nfs/dbraw/zinc/62/74/07/844627407.db2.gz PQZDWESYEZQYOH-JTQLQIEISA-N -1 3 375.226 3.960 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC)c(Cl)cc1Cl ZINC000027338908 841390027 /nfs/dbraw/zinc/39/00/27/841390027.db2.gz RAHVHFDLKFMHCR-MNOVXSKESA-N -1 3 395.352 3.989 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]CC(=O)Nc1ccc(C)cc1Cl ZINC001125503072 841426410 /nfs/dbraw/zinc/42/64/10/841426410.db2.gz NSKBHVOIWCCPOG-UHFFFAOYSA-N -1 3 382.794 3.504 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cc(C)ccc3C)c2)n1 ZINC000049301916 841499351 /nfs/dbraw/zinc/49/93/51/841499351.db2.gz AUDVFRNNKOKHIO-UHFFFAOYSA-N -1 3 377.444 3.634 20 0 GHADHM CCc1ccc(OCC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000049302030 841501242 /nfs/dbraw/zinc/50/12/42/841501242.db2.gz DFRSJMKXNMSXOQ-UHFFFAOYSA-N -1 3 377.444 3.579 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC=C(c2ccncc2)C1 ZINC000500182682 841584865 /nfs/dbraw/zinc/58/48/65/841584865.db2.gz SEIQYQWNYVGART-UHFFFAOYSA-N -1 3 388.265 3.549 20 0 GHADHM CO[C@@H](CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-])C1CCCCC1 ZINC000656757985 841892587 /nfs/dbraw/zinc/89/25/87/841892587.db2.gz XPFQQKQJWQOBND-ROUUACIJSA-N -1 3 396.325 3.856 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Br ZINC000040231532 841900564 /nfs/dbraw/zinc/90/05/64/841900564.db2.gz XUGZLIOSGMSRHB-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM C[C@@]1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCS1 ZINC000184184851 841901260 /nfs/dbraw/zinc/90/12/60/841901260.db2.gz HFFRAYKMGUBISZ-KNQAVFIVSA-N -1 3 398.528 3.655 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C4CCC4)cc3)CC2)[n-]1 ZINC000278935279 842182700 /nfs/dbraw/zinc/18/27/00/842182700.db2.gz MZFRVFXXSYGSSM-UHFFFAOYSA-N -1 3 397.479 3.660 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C4CCC4)cc3)CC2)n[n-]1 ZINC000278935279 842182704 /nfs/dbraw/zinc/18/27/04/842182704.db2.gz MZFRVFXXSYGSSM-UHFFFAOYSA-N -1 3 397.479 3.660 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653327979 842246815 /nfs/dbraw/zinc/24/68/15/842246815.db2.gz BWUGVHJQCIFOBG-SJLPKXTDSA-N -1 3 378.428 3.537 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c(Cl)c1 ZINC000432483981 842650370 /nfs/dbraw/zinc/65/03/70/842650370.db2.gz CTLAVRULVRVAOE-INIZCTEOSA-N -1 3 380.897 3.834 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000008483864 842717949 /nfs/dbraw/zinc/71/79/49/842717949.db2.gz ISCTWAWCUPVFDQ-UHFFFAOYSA-N -1 3 386.498 3.861 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC2(CCOCC2)O1 ZINC000279288311 842805395 /nfs/dbraw/zinc/80/53/95/842805395.db2.gz XQMSKXWHGCXVMP-MRXNPFEDSA-N -1 3 383.444 3.595 20 0 GHADHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000093888379 842855832 /nfs/dbraw/zinc/85/58/32/842855832.db2.gz BCQRBWWGJUBPJR-UHFFFAOYSA-N -1 3 379.457 3.568 20 0 GHADHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000188293218 842870617 /nfs/dbraw/zinc/87/06/17/842870617.db2.gz PYYKLAWHZQMRTD-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000893674103 842877318 /nfs/dbraw/zinc/87/73/18/842877318.db2.gz CQPNPHGTPRAWSV-CQSZACIVSA-N -1 3 398.409 3.662 20 0 GHADHM COC[C@H](C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000663259612 842941472 /nfs/dbraw/zinc/94/14/72/842941472.db2.gz DTGXMIVGPXNBLJ-KPZWWZAWSA-N -1 3 381.831 3.808 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663261009 842942988 /nfs/dbraw/zinc/94/29/88/842942988.db2.gz GVXPPVXCFRHYIL-CYBMUJFWSA-N -1 3 389.805 3.967 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000510583978 842985801 /nfs/dbraw/zinc/98/58/01/842985801.db2.gz KPXXDKMIIATMIJ-SECBINFHSA-N -1 3 392.242 3.630 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H]1CCCC[C@@H]1C ZINC000185779038 843029358 /nfs/dbraw/zinc/02/93/58/843029358.db2.gz YATUJAJAMSDINO-UGSOOPFHSA-N -1 3 385.464 3.982 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000432555645 843126386 /nfs/dbraw/zinc/12/63/86/843126386.db2.gz VRMCUOAACHPONW-MRXNPFEDSA-N -1 3 381.398 3.584 20 0 GHADHM Cc1ccc(SC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000186695469 843154052 /nfs/dbraw/zinc/15/40/52/843154052.db2.gz AGXFAAATNOIRML-LPHOPBHVSA-N -1 3 398.528 3.602 20 0 GHADHM O=C([N-]c1nnc(C2CC2)s1)c1n[nH]c(-c2ccccc2)c1Br ZINC000065108254 843328433 /nfs/dbraw/zinc/32/84/33/843328433.db2.gz YQCCIUKOBRJRPP-UHFFFAOYSA-N -1 3 390.266 3.820 20 0 GHADHM CC(C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000067034412 843385509 /nfs/dbraw/zinc/38/55/09/843385509.db2.gz XFMASLNVEDPQSN-UHFFFAOYSA-N -1 3 391.349 3.646 20 0 GHADHM COc1cc2c(cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O)oc1ccccc12 ZINC000349274384 861423856 /nfs/dbraw/zinc/42/38/56/861423856.db2.gz GEYFFYNHQCBWST-NSHDSACASA-N -1 3 378.306 3.972 20 0 GHADHM CCOC(=O)C(=Cc1ccc(F)c(F)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000007502871 843677829 /nfs/dbraw/zinc/67/78/29/843677829.db2.gz AQFKNVPJHALESD-GHXNOFRVSA-N -1 3 390.411 3.983 20 0 GHADHM Cc1nccn1CCCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418884257 843754746 /nfs/dbraw/zinc/75/47/46/843754746.db2.gz WQLXAOSPOGYGKM-UHFFFAOYSA-N -1 3 383.237 3.744 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c1Cl ZINC000431180443 843790042 /nfs/dbraw/zinc/79/00/42/843790042.db2.gz HGYRZQQZLWNCCM-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccsc1 ZINC000061365517 861457648 /nfs/dbraw/zinc/45/76/48/861457648.db2.gz TZUCIQRBCTXDDD-SSDOTTSWSA-N -1 3 381.704 3.599 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000432778694 843800692 /nfs/dbraw/zinc/80/06/92/843800692.db2.gz ZVUJMYDXHXADJH-UHFFFAOYSA-N -1 3 395.484 3.806 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)CCOc3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000509855462 843969124 /nfs/dbraw/zinc/96/91/24/843969124.db2.gz RAAQQNNCGUIDFM-UHFFFAOYSA-N -1 3 396.422 3.839 20 0 GHADHM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1ccccc1OC(F)F ZINC000432959346 844742050 /nfs/dbraw/zinc/74/20/50/844742050.db2.gz HMOIAANWOSBSEF-ZDUSSCGKSA-N -1 3 399.312 3.851 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@H]3CCCCS3)no2)cc1 ZINC000545811567 844814584 /nfs/dbraw/zinc/81/45/84/844814584.db2.gz WYRAFVACUZIIJS-OAHLLOKOSA-N -1 3 397.522 3.757 20 0 GHADHM O=S(=O)([N-][C@@H](c1cc(F)ccc1F)C(F)F)c1cnc2ccsc2c1 ZINC000432970995 844818642 /nfs/dbraw/zinc/81/86/42/844818642.db2.gz LXNISPKWFYYOHE-AWEZNQCLSA-N -1 3 390.383 3.859 20 0 GHADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000096742859 844848929 /nfs/dbraw/zinc/84/89/29/844848929.db2.gz HMZRRPDQGJFCCX-MRVPVSSYSA-N -1 3 380.354 3.790 20 0 GHADHM Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[N-]OCC(F)F)c1C ZINC000759995699 844920433 /nfs/dbraw/zinc/92/04/33/844920433.db2.gz SHQYPFYGZQWDRF-UHFFFAOYSA-N -1 3 389.200 3.570 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C12CCC2 ZINC000657187624 845041654 /nfs/dbraw/zinc/04/16/54/845041654.db2.gz OVLQEBRSYVIOEY-STQMWFEESA-N -1 3 392.443 3.505 20 0 GHADHM Cc1ccc(C2(c3noc(-c4cc5c(cc4[O-])OCO5)n3)CCOCC2)cc1 ZINC000436885064 845053506 /nfs/dbraw/zinc/05/35/06/845053506.db2.gz MUBNFGDPAOBQNZ-UHFFFAOYSA-N -1 3 380.400 3.576 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000535902603 845107378 /nfs/dbraw/zinc/10/73/78/845107378.db2.gz XOOSPTMRQCFUDH-XELLLNAOSA-N -1 3 395.477 3.657 20 0 GHADHM [O-]c1ccc(F)c(CN[C@H]2CCN(c3cccc(Br)c3)C2)c1F ZINC000513295545 845196283 /nfs/dbraw/zinc/19/62/83/845196283.db2.gz IGASKAWEXDWPRV-LBPRGKRZSA-N -1 3 383.236 3.801 20 0 GHADHM O=C(CCc1cc(F)ccc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802345 845229279 /nfs/dbraw/zinc/22/92/79/845229279.db2.gz LEXONPYVPMOPML-UHFFFAOYSA-N -1 3 378.201 3.741 20 0 GHADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000277198011 845284225 /nfs/dbraw/zinc/28/42/25/845284225.db2.gz GHTJKAFHQOHHCY-HOCLYGCPSA-N -1 3 380.851 3.573 20 0 GHADHM CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C(C)C ZINC000614238657 845360769 /nfs/dbraw/zinc/36/07/69/845360769.db2.gz SKOZVVRLXYDQDH-SFHVURJKSA-N -1 3 390.867 3.837 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)sc1Br ZINC000433818689 845424892 /nfs/dbraw/zinc/42/48/92/845424892.db2.gz NBQWTRIJHQXQPV-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000472095359 845815280 /nfs/dbraw/zinc/81/52/80/845815280.db2.gz HQBOPTGZZKPEOL-UHFFFAOYSA-N -1 3 385.363 3.960 20 0 GHADHM CC(NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)(C1CC1)C1CC1 ZINC001167514284 845976869 /nfs/dbraw/zinc/97/68/69/845976869.db2.gz NWCSAJGDOPSMFT-UHFFFAOYSA-N -1 3 375.266 3.599 20 0 GHADHM CCCCc1nc(NC(=O)CSc2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC001269123741 846183397 /nfs/dbraw/zinc/18/33/97/846183397.db2.gz JVCBENVJUIXHNZ-UHFFFAOYSA-N -1 3 391.493 3.668 20 0 GHADHM COC(=O)c1[n-]c(=NCc2ccc(OC)c(OC3CCCC3)c2)sc1C ZINC000434078135 846222972 /nfs/dbraw/zinc/22/29/72/846222972.db2.gz ZNQJXEYUSBJHAO-UHFFFAOYSA-N -1 3 376.478 3.602 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1Cc1ccccc1Br ZINC000421617466 846408443 /nfs/dbraw/zinc/40/84/43/846408443.db2.gz DKZQOUCIVKYZRL-ZDUSSCGKSA-N -1 3 376.250 3.708 20 0 GHADHM [O-]c1ccc(F)c(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1F ZINC000511078848 846409088 /nfs/dbraw/zinc/40/90/88/846409088.db2.gz CHDRRUBBHCODSD-LLVKDONJSA-N -1 3 388.336 3.938 20 0 GHADHM Cc1cccc([C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c1 ZINC000421683191 846485750 /nfs/dbraw/zinc/48/57/50/846485750.db2.gz RTXRKOZUCMUXFR-JTQLQIEISA-N -1 3 390.203 3.680 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000548696028 846519327 /nfs/dbraw/zinc/51/93/27/846519327.db2.gz JZWNUSWFUFYTOJ-UHFFFAOYSA-N -1 3 392.521 3.653 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H](C(C)C)CC2)cc1OC ZINC000604074021 861707598 /nfs/dbraw/zinc/70/75/98/861707598.db2.gz DQLUKFSYJIDVFM-OAHLLOKOSA-N -1 3 397.541 3.747 20 0 GHADHM COc1ccc(N(CC(C)C)C(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)cc1 ZINC000422068247 846807554 /nfs/dbraw/zinc/80/75/54/846807554.db2.gz AYXQXXNBRVJZPT-UHFFFAOYSA-N -1 3 398.434 3.987 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1c(Cl)ccc2ccccc21 ZINC000501435840 846920354 /nfs/dbraw/zinc/92/03/54/846920354.db2.gz MDHANFTYRKPDRJ-ZIAGYGMSSA-N -1 3 375.824 3.932 20 0 GHADHM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)cc2n[n-]nc21 ZINC000501520457 846980124 /nfs/dbraw/zinc/98/01/24/846980124.db2.gz DXOVSBDXPYDGDG-UHFFFAOYSA-N -1 3 393.403 3.897 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc([C@@H]2CCCOC2)c1 ZINC000501512690 846990378 /nfs/dbraw/zinc/99/03/78/846990378.db2.gz NWZSZKNKCDLLBD-OAHLLOKOSA-N -1 3 383.398 3.923 20 0 GHADHM COC(=O)CSCc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469152544 847032328 /nfs/dbraw/zinc/03/23/28/847032328.db2.gz LWCRYEANICGHGB-UHFFFAOYSA-N -1 3 391.464 3.899 20 0 GHADHM Cc1nc2ccccc2n1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000501745164 847149274 /nfs/dbraw/zinc/14/92/74/847149274.db2.gz NOGDDRPXXCQIAG-UHFFFAOYSA-N -1 3 388.265 3.519 20 0 GHADHM CC(C)(C)c1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc(C(C)(C)C)c1O ZINC000273190640 847269460 /nfs/dbraw/zinc/26/94/60/847269460.db2.gz GROUJJLXBLMKKA-UHFFFAOYSA-N -1 3 383.492 3.681 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273608405 847384292 /nfs/dbraw/zinc/38/42/92/847384292.db2.gz OVSYPRLBTADLDR-APWZRJJASA-N -1 3 376.403 3.732 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccon3)c2)cc1 ZINC000502007872 847387269 /nfs/dbraw/zinc/38/72/69/847387269.db2.gz RJQGSJRICBMLBG-OAHLLOKOSA-N -1 3 399.472 3.583 20 0 GHADHM CCCCOc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1OC ZINC000503191535 847463873 /nfs/dbraw/zinc/46/38/73/847463873.db2.gz SMWUMAXWCVDBLQ-GFCCVEGCSA-N -1 3 386.427 3.776 20 0 GHADHM C[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000191950946 861797998 /nfs/dbraw/zinc/79/79/98/861797998.db2.gz TZQTWEHLDMAMON-OXJNMPFZSA-N -1 3 398.528 3.607 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000502192432 847583721 /nfs/dbraw/zinc/58/37/21/847583721.db2.gz DOAPPTHCXWMNJD-VIFPVBQESA-N -1 3 393.408 3.593 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000028485954 847586616 /nfs/dbraw/zinc/58/66/16/847586616.db2.gz QWTDXHGCPSYSTP-LLVKDONJSA-N -1 3 380.231 3.814 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028486016 847588533 /nfs/dbraw/zinc/58/85/33/847588533.db2.gz SWNVFVAAIKMZBK-UHFFFAOYSA-N -1 3 381.668 3.852 20 0 GHADHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc(Cl)c1Br ZINC000582565438 847623142 /nfs/dbraw/zinc/62/31/42/847623142.db2.gz HOBPHLMUTYCZKB-LBPRGKRZSA-N -1 3 384.661 3.660 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000061426711 861813048 /nfs/dbraw/zinc/81/30/48/861813048.db2.gz RJQUAYWYLGBROH-UHFFFAOYSA-N -1 3 394.452 3.629 20 0 GHADHM O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC000503539432 847773430 /nfs/dbraw/zinc/77/34/30/847773430.db2.gz VPSRMZMPHGTXGC-QGZVFWFLSA-N -1 3 395.825 3.859 20 0 GHADHM Cc1ccc(OCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000503671569 847889785 /nfs/dbraw/zinc/88/97/85/847889785.db2.gz QHNRHBCTZQBPQH-UHFFFAOYSA-N -1 3 378.432 3.667 20 0 GHADHM CC1(CCNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000472238686 847946476 /nfs/dbraw/zinc/94/64/76/847946476.db2.gz KIQNUHVZANGKRZ-UHFFFAOYSA-N -1 3 379.888 3.596 20 0 GHADHM CCOC(=O)C(=Cc1cccc2nccn21)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000255551139 848429360 /nfs/dbraw/zinc/42/93/60/848429360.db2.gz MVRPZLWABPHXOV-UVTDQMKNSA-N -1 3 394.456 3.765 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccc(N)cc32)sc1Cl ZINC000261623696 849243893 /nfs/dbraw/zinc/24/38/93/849243893.db2.gz GLKUXAOFXWCPHN-GFCCVEGCSA-N -1 3 386.926 3.873 20 0 GHADHM O=c1[n-]c(SCCOc2ccccc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000022613932 849306424 /nfs/dbraw/zinc/30/64/24/849306424.db2.gz NTBULSPABDDRPD-UHFFFAOYSA-N -1 3 398.875 3.933 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000150971148 849823303 /nfs/dbraw/zinc/82/33/03/849823303.db2.gz XKNNOHBUGSAVJQ-UHFFFAOYSA-N -1 3 392.440 3.628 20 0 GHADHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000503993735 849826340 /nfs/dbraw/zinc/82/63/40/849826340.db2.gz QTLOFLJETODGJW-UHFFFAOYSA-N -1 3 397.797 3.977 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000150972706 849840003 /nfs/dbraw/zinc/84/00/03/849840003.db2.gz AVSAVFATZXXNFH-UHFFFAOYSA-N -1 3 392.440 3.628 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)cc2)cc(=O)[n-]1 ZINC000505567382 849907750 /nfs/dbraw/zinc/90/77/50/849907750.db2.gz YGSIAVRHEFJNQK-LBPRGKRZSA-N -1 3 392.415 3.769 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc3cc(Cl)ccc3s2)c1 ZINC000518787087 850125913 /nfs/dbraw/zinc/12/59/13/850125913.db2.gz KEPPZILQBKVRMP-UHFFFAOYSA-N -1 3 375.837 3.544 20 0 GHADHM CC(C)CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC000604364248 862095753 /nfs/dbraw/zinc/09/57/53/862095753.db2.gz IWEYVMCYCLNRMH-GFCCVEGCSA-N -1 3 394.990 3.647 20 0 GHADHM CCCCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000504618396 850185488 /nfs/dbraw/zinc/18/54/88/850185488.db2.gz GUVFCGOCKRPUMK-UHFFFAOYSA-N -1 3 392.974 3.641 20 0 GHADHM Cc1csc(Oc2ccc([N-]S(=O)(=O)CCOCC3CC3)cc2F)n1 ZINC000424071611 850186634 /nfs/dbraw/zinc/18/66/34/850186634.db2.gz VEHNPQGPFHEPFU-UHFFFAOYSA-N -1 3 386.470 3.551 20 0 GHADHM O=C([O-])[C@H](CN1CCCCC1)NC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000908626499 850225983 /nfs/dbraw/zinc/22/59/83/850225983.db2.gz CJXGPZZVGRVZPT-HNNXBMFYSA-N -1 3 394.541 3.642 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cc(F)ccc1Br ZINC000435205538 850229783 /nfs/dbraw/zinc/22/97/83/850229783.db2.gz BWRPONUEJGABPO-AWEZNQCLSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cc(F)ccc1Br ZINC000435221334 850259364 /nfs/dbraw/zinc/25/93/64/850259364.db2.gz BDBYKHJXKGYEGY-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C([O-])[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCCC1 ZINC000908750327 850323075 /nfs/dbraw/zinc/32/30/75/850323075.db2.gz CUZLQQIVEJQUDR-VQTJNVASSA-N -1 3 387.524 3.546 20 0 GHADHM CCCCCC[C@](C)(NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884330 850451178 /nfs/dbraw/zinc/45/11/78/850451178.db2.gz KUHXJIYHBYYRRU-KPLVRAHFSA-N -1 3 389.540 3.935 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000504996369 850501360 /nfs/dbraw/zinc/50/13/60/850501360.db2.gz NLZIOIWZZQQVTF-GFCCVEGCSA-N -1 3 391.880 3.992 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4ccc(=O)[nH]c43)c2)n1 ZINC000514965440 850520024 /nfs/dbraw/zinc/52/00/24/850520024.db2.gz IGYRICXWXMETAY-UHFFFAOYSA-N -1 3 386.411 3.918 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506712314 850533392 /nfs/dbraw/zinc/53/33/92/850533392.db2.gz YKESVSSUZYPBCW-UHFFFAOYSA-N -1 3 379.482 3.653 20 0 GHADHM CCc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)cc1 ZINC000505045809 850539594 /nfs/dbraw/zinc/53/95/94/850539594.db2.gz ZEXIVDUVQNZDRK-UHFFFAOYSA-N -1 3 387.436 3.546 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccc1 ZINC000909067010 850559264 /nfs/dbraw/zinc/55/92/64/850559264.db2.gz GQRQBBFXEIOPSM-LAUBAEHRSA-N -1 3 380.488 3.864 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)OC)cc2)cc1 ZINC000487286307 850647908 /nfs/dbraw/zinc/64/79/08/850647908.db2.gz KQIUWKAUFVRLNP-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)C)cc1Cl ZINC000519151713 850697511 /nfs/dbraw/zinc/69/75/11/850697511.db2.gz BTMBGFLJTSVOHG-DOMZBBRYSA-N -1 3 390.908 3.931 20 0 GHADHM CN(C)C(=O)Cn1ccc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc21 ZINC000440061997 850750961 /nfs/dbraw/zinc/75/09/61/850750961.db2.gz NCTZSFIBMTWJRS-UHFFFAOYSA-N -1 3 391.471 3.566 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000569851011 850765206 /nfs/dbraw/zinc/76/52/06/850765206.db2.gz MZHNIIKNGHNKLZ-LSDHHAIUSA-N -1 3 386.455 3.861 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000505257325 850765479 /nfs/dbraw/zinc/76/54/79/850765479.db2.gz JNWNKDMUSIYDIS-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1C ZINC000435719940 850802713 /nfs/dbraw/zinc/80/27/13/850802713.db2.gz RZBBBDZRIHEEOZ-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CN(C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCCc2ccccc21 ZINC000515224190 850806556 /nfs/dbraw/zinc/80/65/56/850806556.db2.gz DWBZAQXYOUGSAL-SFHVURJKSA-N -1 3 383.517 3.829 20 0 GHADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H](CC)c1ccccc1 ZINC000434270904 850954184 /nfs/dbraw/zinc/95/41/84/850954184.db2.gz SYXQGBYPPFJUIY-GOSISDBHSA-N -1 3 392.521 3.890 20 0 GHADHM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([O-])ccc2Cl)c1C ZINC000435926370 850998251 /nfs/dbraw/zinc/99/82/51/850998251.db2.gz IWGGWRFDLQQGIC-KRWDZBQOSA-N -1 3 390.892 3.816 20 0 GHADHM COc1ccc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c(Br)c1[O-] ZINC000426629410 851034016 /nfs/dbraw/zinc/03/40/16/851034016.db2.gz CFADJRANZOZROL-PIGZYNQJSA-N -1 3 386.286 3.534 20 0 GHADHM COc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(Cl)n1 ZINC000910172043 851037013 /nfs/dbraw/zinc/03/70/13/851037013.db2.gz DKJIFIXCIGHAFJ-QMMMGPOBSA-N -1 3 393.852 3.989 20 0 GHADHM O=C(COc1ccccc1O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000435974546 851049978 /nfs/dbraw/zinc/04/99/78/851049978.db2.gz QMADWNDZHWSLEA-UHFFFAOYSA-N -1 3 378.215 3.529 20 0 GHADHM COc1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc(OC)c1[O-] ZINC000513961438 851073659 /nfs/dbraw/zinc/07/36/59/851073659.db2.gz DJHBDLSZYYPSBR-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000515516278 851115338 /nfs/dbraw/zinc/11/53/38/851115338.db2.gz XFDVYLDOUVGNGB-UHFFFAOYSA-N -1 3 385.816 3.778 20 0 GHADHM CC(=O)Nc1ccc(Cl)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000488102956 851153012 /nfs/dbraw/zinc/15/30/12/851153012.db2.gz QMRDWDBFHVKLGJ-UHFFFAOYSA-N -1 3 390.777 3.641 20 0 GHADHM CC[C@@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430553868 851330229 /nfs/dbraw/zinc/33/02/29/851330229.db2.gz PRRCWUFEQZTPKU-SNVBAGLBSA-N -1 3 383.673 3.959 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)s1 ZINC000515729419 851377158 /nfs/dbraw/zinc/37/71/58/851377158.db2.gz BPFKZRWYPPYAEQ-LBPRGKRZSA-N -1 3 375.471 3.727 20 0 GHADHM Cc1cccc2nc(CCC(=O)N=c3cc(-c4cccc(F)c4F)[n-][nH]3)[nH]c21 ZINC000473652993 851423908 /nfs/dbraw/zinc/42/39/08/851423908.db2.gz SYOBMQRMMNLTKT-UHFFFAOYSA-N -1 3 381.386 3.533 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](N(C)c4ccccc4)C3)nc2)n1 ZINC000664541705 851452800 /nfs/dbraw/zinc/45/28/00/851452800.db2.gz RWIDVZGEFDMQHV-LJQANCHMSA-N -1 3 375.476 3.522 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000732393985 862256963 /nfs/dbraw/zinc/25/69/63/862256963.db2.gz GTLSHZXUHVQIKU-MRVPVSSYSA-N -1 3 388.729 3.643 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000911132023 851586758 /nfs/dbraw/zinc/58/67/58/851586758.db2.gz FVDWMQRYWFOVGG-HXUWFJFHSA-N -1 3 384.476 3.515 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccccc3Cl)c2)n1 ZINC000049301886 851648032 /nfs/dbraw/zinc/64/80/32/851648032.db2.gz SPVNWCYFSZXURB-UHFFFAOYSA-N -1 3 383.835 3.670 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccccc1Cl ZINC000911278848 851660220 /nfs/dbraw/zinc/66/02/20/851660220.db2.gz FGJPNFPUKLKVPG-LSDHHAIUSA-N -1 3 398.956 3.608 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000894549561 851693561 /nfs/dbraw/zinc/69/35/61/851693561.db2.gz QSJJKPMMVQDTLV-SFHVURJKSA-N -1 3 389.293 3.734 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488678694 851701845 /nfs/dbraw/zinc/70/18/45/851701845.db2.gz WDPHVOFEDIKQEX-SNVBAGLBSA-N -1 3 384.657 3.892 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC2CCCC2)nc1)c1cc(F)ccc1Cl ZINC000488936388 851874072 /nfs/dbraw/zinc/87/40/72/851874072.db2.gz DGSZPLGTTLEYIP-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000488945429 851894429 /nfs/dbraw/zinc/89/44/29/851894429.db2.gz USMMIRPHPPFZNY-GFCCVEGCSA-N -1 3 391.386 3.899 20 0 GHADHM O=C(CCc1cccc(OCc2ccccc2)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850871 851932680 /nfs/dbraw/zinc/93/26/80/851932680.db2.gz AQHFPFYXVJEHRN-LJQANCHMSA-N -1 3 391.471 3.643 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1 ZINC000101850510 851937089 /nfs/dbraw/zinc/93/70/89/851937089.db2.gz OLFZLYBESIWCNO-UHFFFAOYSA-N -1 3 398.484 3.883 20 0 GHADHM O=C(Nc1ccc2ccc(Cl)cc2n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436482386 851952138 /nfs/dbraw/zinc/95/21/38/851952138.db2.gz AAGJFQXVMRYVQV-KRWDZBQOSA-N -1 3 395.846 3.837 20 0 GHADHM CCSCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436505124 851990366 /nfs/dbraw/zinc/99/03/66/851990366.db2.gz RPTPXJUSTOARIE-IBGZPJMESA-N -1 3 386.517 3.513 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2s1 ZINC000436524759 852013729 /nfs/dbraw/zinc/01/37/29/852013729.db2.gz BCGAKCIHWZRYKK-UHFFFAOYSA-N -1 3 380.469 3.642 20 0 GHADHM CS(=O)(=O)Nc1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436526437 852016024 /nfs/dbraw/zinc/01/60/24/852016024.db2.gz IUWAJLZLUIJFGR-UHFFFAOYSA-N -1 3 396.468 3.607 20 0 GHADHM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436525143 852016191 /nfs/dbraw/zinc/01/61/91/852016191.db2.gz MSBLNLQIDAEHCI-OAHLLOKOSA-N -1 3 390.505 3.561 20 0 GHADHM COC1(OC)CC2(CN(C(=O)c3cc4sccc4c([O-])c3)[C@@H]2C(C)C)C1 ZINC000911996241 852016360 /nfs/dbraw/zinc/01/63/60/852016360.db2.gz XACKEMARGOJVHI-QGZVFWFLSA-N -1 3 375.490 3.857 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436532349 852023702 /nfs/dbraw/zinc/02/37/02/852023702.db2.gz XMWHBTFSJNTRMI-SCWSEQNSSA-N -1 3 380.488 3.900 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1Cl ZINC000180747697 862312523 /nfs/dbraw/zinc/31/25/23/862312523.db2.gz UWXRSXNZRXGADV-GOEBONIOSA-N -1 3 391.798 3.566 20 0 GHADHM C[C@@H](C1CCC1)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436562749 852066005 /nfs/dbraw/zinc/06/60/05/852066005.db2.gz NZDACNBIZQABRZ-KKSFZXQISA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436566858 852069281 /nfs/dbraw/zinc/06/92/81/852069281.db2.gz VWELBDUYBMSDQD-UHFFFAOYSA-N -1 3 383.448 3.888 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000436572776 852075581 /nfs/dbraw/zinc/07/55/81/852075581.db2.gz GLVWJTFKHFPHEV-IBGZPJMESA-N -1 3 379.378 3.512 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436591128 852078864 /nfs/dbraw/zinc/07/88/64/852078864.db2.gz PHWUCYFFIOMWHQ-OAHLLOKOSA-N -1 3 377.488 3.694 20 0 GHADHM CC1=C(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436594310 852081847 /nfs/dbraw/zinc/08/18/47/852081847.db2.gz GMQOTQOLZKLMOS-NRFANRHFSA-N -1 3 378.472 3.822 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436618150 852099744 /nfs/dbraw/zinc/09/97/44/852099744.db2.gz KKXFQLRQRCSAEE-FQEVSTJZSA-N -1 3 394.515 3.741 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nc(C)cs1 ZINC000489191319 852103220 /nfs/dbraw/zinc/10/32/20/852103220.db2.gz BASKYCGKEQGXLO-VIFPVBQESA-N -1 3 398.403 3.919 20 0 GHADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436616515 852116890 /nfs/dbraw/zinc/11/68/90/852116890.db2.gz FEZRGEKBOYFEHP-CYBMUJFWSA-N -1 3 375.852 3.855 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2)cs1 ZINC000436634274 852129740 /nfs/dbraw/zinc/12/97/40/852129740.db2.gz FVMTVESEEAXDQG-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436639075 852133103 /nfs/dbraw/zinc/13/31/03/852133103.db2.gz IOIDCRKUBKDSQR-VFNWGFHPSA-N -1 3 384.451 3.569 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436623292 852138180 /nfs/dbraw/zinc/13/81/80/852138180.db2.gz GEHIZGJGTNBWHS-VQIMIIECSA-N -1 3 398.528 3.684 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1[O-] ZINC000436652423 852143113 /nfs/dbraw/zinc/14/31/13/852143113.db2.gz NBAUKCCJGKQLCC-UHFFFAOYSA-N -1 3 394.402 3.973 20 0 GHADHM CCN1CCN(c2ccc(-c3noc(-c4ccc([O-])cc4F)n3)cc2F)CC1 ZINC000436692777 852203339 /nfs/dbraw/zinc/20/33/39/852203339.db2.gz ZXROKKVYSPYQBD-UHFFFAOYSA-N -1 3 386.402 3.529 20 0 GHADHM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436708538 852204858 /nfs/dbraw/zinc/20/48/58/852204858.db2.gz SDFLEFWAAHIKMI-MRXNPFEDSA-N -1 3 382.504 3.553 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000436695349 852210006 /nfs/dbraw/zinc/21/00/06/852210006.db2.gz DEFOAPDDNIYRLO-UHFFFAOYSA-N -1 3 380.419 3.749 20 0 GHADHM Cc1nnc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1C1CC1 ZINC000180776665 862334109 /nfs/dbraw/zinc/33/41/09/862334109.db2.gz MJMLMPCWGJEWEN-UHFFFAOYSA-N -1 3 399.501 3.913 20 0 GHADHM CCCOc1ccc(-c2nc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000473847645 852262880 /nfs/dbraw/zinc/26/28/80/852262880.db2.gz OBTPCUMYPOQHPR-QGZVFWFLSA-N -1 3 398.488 3.848 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCc3cnc(C)o3)nc(=O)c2c1C ZINC000912418152 852264780 /nfs/dbraw/zinc/26/47/80/852264780.db2.gz VJPCMCSSOFLBBK-VIFPVBQESA-N -1 3 393.490 3.761 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c([O-])c1 ZINC000436745966 852266570 /nfs/dbraw/zinc/26/65/70/852266570.db2.gz BWFWBHWFTNDHKS-HNNXBMFYSA-N -1 3 385.439 3.514 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2cccc(O)c2)CC1 ZINC000436759524 852280326 /nfs/dbraw/zinc/28/03/26/852280326.db2.gz ZIUTYEFNKAWLKT-UHFFFAOYSA-N -1 3 388.467 3.651 20 0 GHADHM CCOc1ccccc1OCCCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000438363450 852306113 /nfs/dbraw/zinc/30/61/13/852306113.db2.gz HNEURLDJTULFKH-UHFFFAOYSA-N -1 3 397.431 3.546 20 0 GHADHM CCCCOc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)c([O-])c1 ZINC000436800580 852359923 /nfs/dbraw/zinc/35/99/23/852359923.db2.gz WJFGILDTEXNEDL-UHFFFAOYSA-N -1 3 377.444 3.913 20 0 GHADHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436809992 852368748 /nfs/dbraw/zinc/36/87/48/852368748.db2.gz QJAZPZOJGUOIEL-GOSISDBHSA-N -1 3 391.471 3.863 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1OC(C)C ZINC000436814142 852374590 /nfs/dbraw/zinc/37/45/90/852374590.db2.gz HAGIFUPEIVFXMW-SFHVURJKSA-N -1 3 382.460 3.731 20 0 GHADHM CCc1ccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c([O-])c1 ZINC000436831452 852382488 /nfs/dbraw/zinc/38/24/88/852382488.db2.gz GISKTRVWFRBLQT-UHFFFAOYSA-N -1 3 379.359 3.557 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000436824509 852393384 /nfs/dbraw/zinc/39/33/84/852393384.db2.gz HHQZVZDNKKQCQK-GOSISDBHSA-N -1 3 390.277 3.931 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c([O-])c1 ZINC000436826849 852396073 /nfs/dbraw/zinc/39/60/73/852396073.db2.gz RKZICBDWIVYOJU-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489517094 852402056 /nfs/dbraw/zinc/40/20/56/852402056.db2.gz KDSNDGKMSLPQGI-SECBINFHSA-N -1 3 375.409 3.534 20 0 GHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489517095 852402340 /nfs/dbraw/zinc/40/23/40/852402340.db2.gz KDSNDGKMSLPQGI-VIFPVBQESA-N -1 3 375.409 3.534 20 0 GHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OC ZINC000426803317 852415481 /nfs/dbraw/zinc/41/54/81/852415481.db2.gz LSNYCYCKBRRDJF-LJQANCHMSA-N -1 3 377.412 3.547 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000426813729 852423812 /nfs/dbraw/zinc/42/38/12/852423812.db2.gz ZBOMLXCJSPXLTF-OAQYLSRUSA-N -1 3 390.439 3.863 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC2CCC1CC2 ZINC000436904382 852469896 /nfs/dbraw/zinc/46/98/96/852469896.db2.gz PRWYEQVGZIPHBI-PGUVCAJQSA-N -1 3 392.499 3.948 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436915248 852492750 /nfs/dbraw/zinc/49/27/50/852492750.db2.gz PKULGYRTKGCDQS-WWMYMODYSA-N -1 3 380.488 3.806 20 0 GHADHM Cc1ccc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)c([O-])c1 ZINC000436918213 852497090 /nfs/dbraw/zinc/49/70/90/852497090.db2.gz GZFZSRBRSIARDD-UHFFFAOYSA-N -1 3 389.205 3.833 20 0 GHADHM O=C(CCCSc1ccc(Br)cc1)[N-]OCc1ccccn1 ZINC001141946502 862362934 /nfs/dbraw/zinc/36/29/34/862362934.db2.gz RLMJJKQMJBQORH-UHFFFAOYSA-N -1 3 381.295 3.964 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)s1 ZINC000436922035 852502761 /nfs/dbraw/zinc/50/27/61/852502761.db2.gz YGQRGQKZAICYCH-MRVPVSSYSA-N -1 3 393.856 3.555 20 0 GHADHM Cc1cc(C)c(C[C@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)C(F)(F)F)c(C)c1 ZINC000473850334 852517220 /nfs/dbraw/zinc/51/72/20/852517220.db2.gz OAQXOAYVCLCGRE-WBVHZDCISA-N -1 3 395.425 3.968 20 0 GHADHM COc1ccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c([O-])c1 ZINC000436951675 852541539 /nfs/dbraw/zinc/54/15/39/852541539.db2.gz ZWNRCSOIIUJOHL-UHFFFAOYSA-N -1 3 380.213 3.501 20 0 GHADHM O=C(CC/C=C\c1ccccc1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436952633 852543157 /nfs/dbraw/zinc/54/31/57/852543157.db2.gz YAXUTSSIEORSII-WMZJFQQLSA-N -1 3 378.472 3.607 20 0 GHADHM CN(C)c1cnc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000436956972 852546075 /nfs/dbraw/zinc/54/60/75/852546075.db2.gz QKIOUPGRTMGDCG-UHFFFAOYSA-N -1 3 391.456 3.777 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CCCCC2)c1 ZINC000282480580 862368499 /nfs/dbraw/zinc/36/84/99/862368499.db2.gz LOPQZALMMFVTQS-CYBMUJFWSA-N -1 3 385.464 3.982 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000436980619 852569297 /nfs/dbraw/zinc/56/92/97/852569297.db2.gz NXWDDRYSFAVZBF-QFBILLFUSA-N -1 3 398.890 3.666 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2cccc(F)c2o1 ZINC000436984279 852571726 /nfs/dbraw/zinc/57/17/26/852571726.db2.gz MEEPSJDCOQOFFB-SUMWQHHRSA-N -1 3 396.418 3.760 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)c([O-])c1 ZINC000436969962 852573865 /nfs/dbraw/zinc/57/38/65/852573865.db2.gz BUBJLIGGCJYBNH-UHFFFAOYSA-N -1 3 389.448 3.527 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H](C)[C@@H]3C)cs2)c1 ZINC000436989765 852579160 /nfs/dbraw/zinc/57/91/60/852579160.db2.gz PEVAOVRLDFGMAF-KGLIPLIRSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1nc([C@](C)(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C2CC2)no1 ZINC000436989477 852580504 /nfs/dbraw/zinc/58/05/04/852580504.db2.gz MDVWJTDRRJFRTE-OAQYLSRUSA-N -1 3 379.416 3.931 20 0 GHADHM C/C=C/c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436994220 852583205 /nfs/dbraw/zinc/58/32/05/852583205.db2.gz LGMLENYJHCKGTF-GORDUTHDSA-N -1 3 379.460 3.852 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3COc3ccccc3)nc2)n1 ZINC000518083470 852836717 /nfs/dbraw/zinc/83/67/17/852836717.db2.gz OFWQZPIXOJBWAF-SFHVURJKSA-N -1 3 376.460 3.854 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000516653690 852845090 /nfs/dbraw/zinc/84/50/90/852845090.db2.gz QQENOKFVFHFHCN-UHFFFAOYSA-N -1 3 387.892 3.970 20 0 GHADHM COc1cc2c(cc1OC)CCN(Cc1cc(C(=O)[O-])ccc1Cl)CC2 ZINC000516656307 852846856 /nfs/dbraw/zinc/84/68/56/852846856.db2.gz BPWGLVDRPIPQJX-UHFFFAOYSA-N -1 3 375.852 3.656 20 0 GHADHM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000516665658 852851734 /nfs/dbraw/zinc/85/17/34/852851734.db2.gz BKZAYIOZUURDPD-UHFFFAOYSA-N -1 3 384.399 3.762 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc(Cc2ccccc2)no1 ZINC000427247847 852900257 /nfs/dbraw/zinc/90/02/57/852900257.db2.gz CWJKLJFBJDWARD-HNNXBMFYSA-N -1 3 399.516 3.997 20 0 GHADHM COc1ccc2cc(/C=C\C(=O)Nc3ccccc3[N-]S(C)(=O)=O)ccc2c1 ZINC000912947253 852929423 /nfs/dbraw/zinc/92/94/23/852929423.db2.gz KDGUEMFPMWHMIF-WQLSENKSSA-N -1 3 396.468 3.872 20 0 GHADHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000490334731 852940407 /nfs/dbraw/zinc/94/04/07/852940407.db2.gz BQAGIERUUSOBLL-UHFFFAOYSA-N -1 3 382.638 3.622 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)[n-]c1-c1ccccc1 ZINC000490415089 853003625 /nfs/dbraw/zinc/00/36/25/853003625.db2.gz JLPCQQYRUQPWJD-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)nc1-c1ccccc1 ZINC000490415089 853003637 /nfs/dbraw/zinc/00/36/37/853003637.db2.gz JLPCQQYRUQPWJD-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cccc(OC(C)(C)C)n2)[n-]c1-c1ccccc1 ZINC000490422737 853007216 /nfs/dbraw/zinc/00/72/16/853007216.db2.gz QADMDOMWAPUCAC-UHFFFAOYSA-N -1 3 385.489 3.931 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(OC(C)(C)C)n2)nc1-c1ccccc1 ZINC000490422737 853007220 /nfs/dbraw/zinc/00/72/20/853007220.db2.gz QADMDOMWAPUCAC-UHFFFAOYSA-N -1 3 385.489 3.931 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)c1Cl ZINC000490433196 853027781 /nfs/dbraw/zinc/02/77/81/853027781.db2.gz BEYGIXNTIMKBGO-UHFFFAOYSA-N -1 3 394.349 3.798 20 0 GHADHM CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000518195518 853053938 /nfs/dbraw/zinc/05/39/38/853053938.db2.gz XKOVKRLYPVWOER-CQSZACIVSA-N -1 3 376.453 3.559 20 0 GHADHM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)ccc2O1 ZINC000507579838 853065220 /nfs/dbraw/zinc/06/52/20/853065220.db2.gz AZTATPXPTOLKNO-UHFFFAOYSA-N -1 3 387.457 3.556 20 0 GHADHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000490544243 853096608 /nfs/dbraw/zinc/09/66/08/853096608.db2.gz NDTJCAPCIPOEGM-UHFFFAOYSA-N -1 3 390.852 3.587 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1OC ZINC000673984501 862432290 /nfs/dbraw/zinc/43/22/90/862432290.db2.gz UEHAHFPFYMCMHB-UHFFFAOYSA-N -1 3 376.409 3.500 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)c2[O-] ZINC000427502977 853173767 /nfs/dbraw/zinc/17/37/67/853173767.db2.gz WXXGWLWCHMCXMU-UHFFFAOYSA-N -1 3 390.365 3.750 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1Cl ZINC000481876392 862437250 /nfs/dbraw/zinc/43/72/50/862437250.db2.gz UGYUSQXKXYBKHE-UHFFFAOYSA-N -1 3 375.881 3.751 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298949 853209691 /nfs/dbraw/zinc/20/96/91/853209691.db2.gz USPQEGMHDJJRAN-CYBMUJFWSA-N -1 3 395.415 3.837 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298949 853209697 /nfs/dbraw/zinc/20/96/97/853209697.db2.gz USPQEGMHDJJRAN-CYBMUJFWSA-N -1 3 395.415 3.837 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000913302034 853217177 /nfs/dbraw/zinc/21/71/77/853217177.db2.gz LNUFVIBXIHGFAP-ZIAGYGMSSA-N -1 3 379.416 3.583 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000913302034 853217186 /nfs/dbraw/zinc/21/71/86/853217186.db2.gz LNUFVIBXIHGFAP-ZIAGYGMSSA-N -1 3 379.416 3.583 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490786026 853260875 /nfs/dbraw/zinc/26/08/75/853260875.db2.gz WDXHMVHCDBAAGY-HOCLYGCPSA-N -1 3 393.369 3.590 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3cc(=O)[n-]c(C4CC4)n3)s2)cs1 ZINC000519618653 853325485 /nfs/dbraw/zinc/32/54/85/853325485.db2.gz XAPUMABVVKLXNH-UHFFFAOYSA-N -1 3 386.502 3.526 20 0 GHADHM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(CN(C)C)ccc3C)n2)c1 ZINC000519694833 853400671 /nfs/dbraw/zinc/40/06/71/853400671.db2.gz XVMLDQUBAAQNAI-UHFFFAOYSA-N -1 3 382.439 3.648 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000163707974 853526225 /nfs/dbraw/zinc/52/62/25/853526225.db2.gz WHXUWDICJXTSKE-UHFFFAOYSA-N -1 3 396.450 3.790 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000586811830 853540338 /nfs/dbraw/zinc/54/03/38/853540338.db2.gz RGEUBUYQLQJJMG-AWEZNQCLSA-N -1 3 379.416 3.659 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c[n-]1 ZINC000586811830 853540346 /nfs/dbraw/zinc/54/03/46/853540346.db2.gz RGEUBUYQLQJJMG-AWEZNQCLSA-N -1 3 379.416 3.659 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(F)c(F)cc1Br ZINC000440774494 853604741 /nfs/dbraw/zinc/60/47/41/853604741.db2.gz XWPGVSQYRUIUCE-UHFFFAOYSA-N -1 3 397.204 3.893 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccccc2C)cc1OC ZINC000054984382 853624084 /nfs/dbraw/zinc/62/40/84/853624084.db2.gz OXUSPJVDWHWQMT-UHFFFAOYSA-N -1 3 379.507 3.574 20 0 GHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1 ZINC000520079035 853808862 /nfs/dbraw/zinc/80/88/62/853808862.db2.gz KUNSVCUWGJDMFO-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000604762269 862502209 /nfs/dbraw/zinc/50/22/09/862502209.db2.gz ZUGQCAKMVRUECF-HXUWFJFHSA-N -1 3 386.517 3.866 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCO[C@@H]1CCCC[C@@H]1C)CC2 ZINC000571410707 853871786 /nfs/dbraw/zinc/87/17/86/853871786.db2.gz VOABDBAHUBQNNH-ZYSHUDEJSA-N -1 3 391.508 3.673 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)c(C)cc2Br)[n-]1 ZINC000588019334 854079892 /nfs/dbraw/zinc/07/98/92/854079892.db2.gz VBRXPHUMQFVQOG-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)c(C)cc2Br)c[n-]1 ZINC000588019334 854079897 /nfs/dbraw/zinc/07/98/97/854079897.db2.gz VBRXPHUMQFVQOG-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Cl)s1 ZINC000588175625 854199894 /nfs/dbraw/zinc/19/98/94/854199894.db2.gz XNIBENPBQQXNHO-GHMZBOCLSA-N -1 3 392.727 3.998 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000481935622 862540805 /nfs/dbraw/zinc/54/08/05/862540805.db2.gz WIYXXPCEOSLQNG-BDAKNGLRSA-N -1 3 379.169 3.550 20 0 GHADHM Cc1ccc(C)c(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000055895866 854233189 /nfs/dbraw/zinc/23/31/89/854233189.db2.gz DCSSSYUJBHGRDI-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c(=O)[n-]1 ZINC000623974052 862559207 /nfs/dbraw/zinc/55/92/07/862559207.db2.gz NQOBVYIVWPPWNP-UHFFFAOYSA-N -1 3 377.448 3.569 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccco1 ZINC000473935899 854364448 /nfs/dbraw/zinc/36/44/48/854364448.db2.gz DVEUEFQIQLDWJB-JTQLQIEISA-N -1 3 382.240 3.782 20 0 GHADHM COCCC[C@H](CNC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Cl)cc1 ZINC000572509994 854521780 /nfs/dbraw/zinc/52/17/80/854521780.db2.gz FOIVMFNJCNKHEP-MRXNPFEDSA-N -1 3 386.883 3.742 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Cl ZINC000481984730 862579125 /nfs/dbraw/zinc/57/91/25/862579125.db2.gz VRAJFEKJQLEKJD-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ccc(C)cc2)cc1OC ZINC000068632465 854602114 /nfs/dbraw/zinc/60/21/14/854602114.db2.gz HGJIQGHTMFETTI-CQSZACIVSA-N -1 3 391.493 3.648 20 0 GHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000068881091 854633325 /nfs/dbraw/zinc/63/33/25/854633325.db2.gz RWQUUAGTKFWKPA-FQEVSTJZSA-N -1 3 398.459 3.625 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)cc1 ZINC000069673963 854686430 /nfs/dbraw/zinc/68/64/30/854686430.db2.gz WSCMHHYBVIUTNW-UHFFFAOYSA-N -1 3 393.468 3.894 20 0 GHADHM CCc1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)C[C@H](C)O3)no2)c([O-])c1 ZINC000665002591 854701651 /nfs/dbraw/zinc/70/16/51/854701651.db2.gz FJKCFJSVLGGFBX-YWZLYKJASA-N -1 3 379.460 3.967 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)c(=O)c2c(OC)c1 ZINC000624034346 862598567 /nfs/dbraw/zinc/59/85/67/862598567.db2.gz LEQIAYSGCDLWSP-JOQOYGCGSA-N -1 3 384.476 3.586 20 0 GHADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1F ZINC000572522475 854860345 /nfs/dbraw/zinc/86/03/45/854860345.db2.gz DDSHQGUCJZBTJU-IBGZPJMESA-N -1 3 395.452 3.793 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccco1 ZINC000188671261 854898952 /nfs/dbraw/zinc/89/89/52/854898952.db2.gz ILPXIDYLRBJHLO-UHFFFAOYSA-N -1 3 393.468 3.670 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccc(OCC(F)F)cn2)no1 ZINC000572653685 854920117 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O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000330173835 862633689 /nfs/dbraw/zinc/63/36/89/862633689.db2.gz HSKCJNQPZDARQB-NSHDSACASA-N -1 3 383.819 3.739 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CNC(=O)c3ccc([O-])cc3)c2)C1 ZINC000589692555 855110407 /nfs/dbraw/zinc/11/04/07/855110407.db2.gz AMUHCWQRJLQBPX-HRAATJIYSA-N -1 3 396.487 3.856 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)NCC1(c2ccccc2)CCCCCC1 ZINC000589697465 855112276 /nfs/dbraw/zinc/11/22/76/855112276.db2.gz NCZSFOOKVMGGQI-UHFFFAOYSA-N -1 3 380.488 3.530 20 0 GHADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000106006823 855166349 /nfs/dbraw/zinc/16/63/49/855166349.db2.gz FJNQOYACLKYTOK-AWEZNQCLSA-N -1 3 388.489 3.795 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCC1)c1cc(Br)ccc1Cl ZINC000589890249 855176541 /nfs/dbraw/zinc/17/65/41/855176541.db2.gz YFXCHEVXOHDDRM-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1Cl ZINC000604971695 862650097 /nfs/dbraw/zinc/65/00/97/862650097.db2.gz LSXQFIQPGQJYLT-UHFFFAOYSA-N -1 3 399.896 3.791 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1C ZINC000604971672 862650292 /nfs/dbraw/zinc/65/02/92/862650292.db2.gz JMNVEGPWECTWOR-SFHVURJKSA-N -1 3 391.489 3.671 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)CSC(F)(F)F)c(C(=O)OCC)[n-]1 ZINC001128073380 855229745 /nfs/dbraw/zinc/22/97/45/855229745.db2.gz FOOIOHXXUVKSPA-SECBINFHSA-N -1 3 381.420 3.757 20 0 GHADHM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590081076 855260516 /nfs/dbraw/zinc/26/05/16/855260516.db2.gz GGRJPZUSIKLEEG-GOEBONIOSA-N -1 3 397.541 3.937 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000055619865 855360724 /nfs/dbraw/zinc/36/07/24/855360724.db2.gz SYCDKICENIDGPQ-UHFFFAOYSA-N -1 3 382.441 3.748 20 0 GHADHM CC(C)OCCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000590315334 855372608 /nfs/dbraw/zinc/37/26/08/855372608.db2.gz QEVMRAGEORXMSF-UHFFFAOYSA-N -1 3 386.677 3.668 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC4(CCOCC4)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000542714123 855526662 /nfs/dbraw/zinc/52/66/62/855526662.db2.gz QAAREOMUVPITCB-AWEZNQCLSA-N -1 3 382.464 3.581 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001128101011 855540456 /nfs/dbraw/zinc/54/04/56/855540456.db2.gz KVYUUIZYXFZQFS-UHFFFAOYSA-N -1 3 380.738 3.947 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000520523618 855591451 /nfs/dbraw/zinc/59/14/51/855591451.db2.gz ULDDSAHPJDZJMN-UHFFFAOYSA-N -1 3 386.395 3.946 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4[nH]c(=O)ccc4c3)cc2)cc(=O)[n-]1 ZINC000590800088 855592566 /nfs/dbraw/zinc/59/25/66/855592566.db2.gz YRRJWHSVBKGUSV-UHFFFAOYSA-N -1 3 387.399 3.643 20 0 GHADHM CCc1nc2cc(S(=O)(=O)[N-][C@@H](Cc3ccccc3)C(F)(F)F)ccc2o1 ZINC000542754035 855626442 /nfs/dbraw/zinc/62/64/42/855626442.db2.gz KGLVLFSLGMARAX-INIZCTEOSA-N -1 3 398.406 3.842 20 0 GHADHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)c1ccc(OC)c(F)c1 ZINC001128109820 855801156 /nfs/dbraw/zinc/80/11/56/855801156.db2.gz RMLMGKQTCOYXON-KRWDZBQOSA-N -1 3 395.377 3.655 20 0 GHADHM C[C@@H]1c2ccsc2CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482141320 862727226 /nfs/dbraw/zinc/72/72/26/862727226.db2.gz MGLZJPKWBGVICN-SNVBAGLBSA-N -1 3 391.294 3.731 20 0 GHADHM O=C(Cc1cnn(-c2ccccc2)c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178992278 855850863 /nfs/dbraw/zinc/85/08/63/855850863.db2.gz XWDHISKABYOEFM-UHFFFAOYSA-N -1 3 375.350 3.682 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](C2CC2)C1 ZINC000542807245 855938595 /nfs/dbraw/zinc/93/85/95/855938595.db2.gz DYYZLZFFVUXZAP-PZJWPPBQSA-N -1 3 378.472 3.512 20 0 GHADHM C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000280910657 862742685 /nfs/dbraw/zinc/74/26/85/862742685.db2.gz DFTJQGPYHXVSHQ-NSHDSACASA-N -1 3 391.821 3.501 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2ccccc2C(F)(F)F)[nH][n-]1 ZINC000591449890 855994230 /nfs/dbraw/zinc/99/42/30/855994230.db2.gz YRRCWDONFLHUOA-UHFFFAOYSA-N -1 3 375.350 3.707 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)[nH][n-]1 ZINC000591449901 855994745 /nfs/dbraw/zinc/99/47/45/855994745.db2.gz ZEIJEVPFJAZILN-UHFFFAOYSA-N -1 3 393.834 3.803 20 0 GHADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000591434102 856007019 /nfs/dbraw/zinc/00/70/19/856007019.db2.gz IYSTYCHUGLGDGX-UHFFFAOYSA-N -1 3 378.819 3.988 20 0 GHADHM O=C(NCCC1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000029343920 856039631 /nfs/dbraw/zinc/03/96/31/856039631.db2.gz GBLYYVYUDCNECC-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1C ZINC000441725423 856057025 /nfs/dbraw/zinc/05/70/25/856057025.db2.gz GTKFSEURSWWGCT-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)Nc3cn[nH]c3)ccc2C)c(C)c1 ZINC000029692328 856060133 /nfs/dbraw/zinc/06/01/33/856060133.db2.gz PHOMWGGKTDSHIN-UHFFFAOYSA-N -1 3 398.488 3.696 20 0 GHADHM COc1cccc([C@@H]2CN(c3c(C(=O)[O-])cnc4ccc(OC)cc43)CCO2)c1 ZINC000573327769 856080842 /nfs/dbraw/zinc/08/08/42/856080842.db2.gz URXNIWYUKMTUFO-FQEVSTJZSA-N -1 3 394.427 3.528 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c[nH]nc1-c1ccsc1 ZINC000485088889 856086166 /nfs/dbraw/zinc/08/61/66/856086166.db2.gz FDGWFBLZHPEWBJ-UHFFFAOYSA-N -1 3 376.401 3.922 20 0 GHADHM Cn1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(-c2ccccc2)n1 ZINC000485115237 856111518 /nfs/dbraw/zinc/11/15/18/856111518.db2.gz UXZKQEBOQIRVMG-UHFFFAOYSA-N -1 3 384.399 3.871 20 0 GHADHM Cn1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(-c2ccccc2)n1 ZINC000485115237 856111524 /nfs/dbraw/zinc/11/15/24/856111524.db2.gz UXZKQEBOQIRVMG-UHFFFAOYSA-N -1 3 384.399 3.871 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1Cc2cccc(Cl)c2C1 ZINC000482166203 862766813 /nfs/dbraw/zinc/76/68/13/862766813.db2.gz FBEGGZIVYMWKCQ-UHFFFAOYSA-N -1 3 391.656 3.720 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@H](C(=O)[O-])c1ccccc1F ZINC000905377767 856299733 /nfs/dbraw/zinc/29/97/33/856299733.db2.gz WKWBQINUUVZKDF-UZLBHIALSA-N -1 3 389.467 3.587 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCF)ccc2C)cc1 ZINC000665193700 856321730 /nfs/dbraw/zinc/32/17/30/856321730.db2.gz GNKWFSJPCHFBJS-UHFFFAOYSA-N -1 3 394.468 3.883 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C1(c2noc(C)n2)CCCCC1 ZINC000624831938 856435243 /nfs/dbraw/zinc/43/52/43/856435243.db2.gz YHUKSKLRLGFYKS-UHFFFAOYSA-N -1 3 379.473 3.528 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000485398052 856444017 /nfs/dbraw/zinc/44/40/17/856444017.db2.gz FOSFDQJMEXIVEA-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485405174 856464449 /nfs/dbraw/zinc/46/44/49/856464449.db2.gz YWEVTFIANFCWCT-UHFFFAOYSA-N -1 3 379.453 3.694 20 0 GHADHM O=C([O-])c1cnc([C@H]2CCN(Cc3ccccc3OCc3ccccn3)C2)s1 ZINC000905749397 856504725 /nfs/dbraw/zinc/50/47/25/856504725.db2.gz MFVNHNAYOACGJE-INIZCTEOSA-N -1 3 395.484 3.805 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)ccc2O1 ZINC000592007363 856533331 /nfs/dbraw/zinc/53/33/31/856533331.db2.gz XLYXRDSHKBDTLI-SECBINFHSA-N -1 3 375.343 3.969 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1OC(C)C ZINC000172812698 856621856 /nfs/dbraw/zinc/62/18/56/856621856.db2.gz MFSWUNMEUOIKIV-UHFFFAOYSA-N -1 3 388.489 3.858 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC000905858988 856642448 /nfs/dbraw/zinc/64/24/48/856642448.db2.gz ZIGJKSOJPYMUKG-UHFFFAOYSA-N -1 3 384.413 3.756 20 0 GHADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc1 ZINC000733251759 862826350 /nfs/dbraw/zinc/82/63/50/862826350.db2.gz TZPXLYHMTUJXAX-UHFFFAOYSA-N -1 3 398.440 3.754 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(OCc4ccccc4)nc3)no1)OCO2 ZINC000436932046 856778402 /nfs/dbraw/zinc/77/84/02/856778402.db2.gz MEFGMZGASBTNKY-UHFFFAOYSA-N -1 3 389.367 3.812 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cccc(F)c1F ZINC000508068718 856856625 /nfs/dbraw/zinc/85/66/25/856856625.db2.gz OFQCCDQDOOTUCJ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)(C)C)ccc2C)cc1 ZINC000508055080 856860392 /nfs/dbraw/zinc/86/03/92/856860392.db2.gz ZYRKFOYQTYIBGD-UHFFFAOYSA-N -1 3 390.505 3.580 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H]2CCCc3cc(OC(F)F)ccc32)c2ccccc21 ZINC000058469073 856866662 /nfs/dbraw/zinc/86/66/62/856866662.db2.gz UBDVTSAHYTZETE-RLGUWMIQSA-N -1 3 384.382 3.566 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCN(CC)c3cccc(C)c3)nc2)n1 ZINC000111221812 856867504 /nfs/dbraw/zinc/86/75/04/856867504.db2.gz MTWJLYYLSQKDOW-UHFFFAOYSA-N -1 3 377.492 3.641 20 0 GHADHM COc1ncccc1CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000674861202 856868251 /nfs/dbraw/zinc/86/82/51/856868251.db2.gz MYDNJFPJRGSXDF-UHFFFAOYSA-N -1 3 399.863 3.870 20 0 GHADHM Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000427955887 856927753 /nfs/dbraw/zinc/92/77/53/856927753.db2.gz FTZXAXPZLJRCEB-UHFFFAOYSA-N -1 3 396.447 3.629 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2SCCc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485706802 856957635 /nfs/dbraw/zinc/95/76/35/856957635.db2.gz URQVATBNYBVKTK-KRWDZBQOSA-N -1 3 387.505 3.898 20 0 GHADHM Cc1cc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)ccc1Br ZINC000437000553 856968164 /nfs/dbraw/zinc/96/81/64/856968164.db2.gz UPOAPIPDHMIXGX-UHFFFAOYSA-N -1 3 375.178 3.909 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000120965301 857020665 /nfs/dbraw/zinc/02/06/65/857020665.db2.gz LMMKTPPWLWSMAY-UHFFFAOYSA-N -1 3 398.365 3.718 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCS[C@H](C)CC3)nc(=O)c2c1C ZINC000253587651 857029504 /nfs/dbraw/zinc/02/95/04/857029504.db2.gz WBGWBWNYMGTZIP-ZYHUDNBSSA-N -1 3 395.550 3.770 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCOCC1 ZINC000111994858 857058462 /nfs/dbraw/zinc/05/84/62/857058462.db2.gz CUXJOZMVHGFUOC-CYBMUJFWSA-N -1 3 398.887 3.673 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCCC2)no1 ZINC000156751568 857131068 /nfs/dbraw/zinc/13/10/68/857131068.db2.gz CGBKZUSUAFQGES-UHFFFAOYSA-N -1 3 390.292 3.574 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000064342907 857133340 /nfs/dbraw/zinc/13/33/40/857133340.db2.gz MEOJQCAOGTYPOW-UHFFFAOYSA-N -1 3 389.333 3.896 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3cccs3)nc(=O)c2c1C ZINC000057024655 857136942 /nfs/dbraw/zinc/13/69/42/857136942.db2.gz OTLXZBYQUPWIJR-LLVKDONJSA-N -1 3 391.518 3.724 20 0 GHADHM CCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ncccc2Br)cs1 ZINC000906654773 857208010 /nfs/dbraw/zinc/20/80/10/857208010.db2.gz NGSFBCTVXSVCKK-MRVPVSSYSA-N -1 3 390.253 3.832 20 0 GHADHM COc1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)c(Br)c1[O-] ZINC000761009878 857287094 /nfs/dbraw/zinc/28/70/94/857287094.db2.gz JDGHXFBDQYOWIG-CQSZACIVSA-N -1 3 383.629 3.671 20 0 GHADHM CC(C)c1oc([C@H]2CCCN2C(=O)c2cc(=O)[n-]cn2)nc1-c1ccccc1 ZINC000625744706 857306565 /nfs/dbraw/zinc/30/65/65/857306565.db2.gz FCXSYTBMMWUWAO-MRXNPFEDSA-N -1 3 378.432 3.938 20 0 GHADHM O=S(=O)([N-]C[C@H](CO)c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000672425874 857323608 /nfs/dbraw/zinc/32/36/08/857323608.db2.gz ZIPKUOOSJOITGO-SNVBAGLBSA-N -1 3 394.707 3.701 20 0 GHADHM COc1cccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482292874 862899026 /nfs/dbraw/zinc/89/90/26/862899026.db2.gz HPFYCLWVAIXGTD-LLVKDONJSA-N -1 3 379.254 3.724 20 0 GHADHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(C)c1C ZINC001128238199 857345279 /nfs/dbraw/zinc/34/52/79/857345279.db2.gz LHXWLAKPROITFM-KRWDZBQOSA-N -1 3 379.378 3.955 20 0 GHADHM O=c1cc(C=Cc2ccc(OCc3ccncc3)cc2)nc(-c2ccncc2)[n-]1 ZINC000486051285 857364765 /nfs/dbraw/zinc/36/47/65/857364765.db2.gz KQBLYVQMJYPRNO-RJRFIUFISA-N -1 3 382.423 3.976 20 0 GHADHM CCc1cnc(CN(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000906888818 857371149 /nfs/dbraw/zinc/37/11/49/857371149.db2.gz JDDRBRFURVNPHF-UHFFFAOYSA-N -1 3 382.511 3.781 20 0 GHADHM CCOc1ccc(Oc2cc(CNC(=O)c3ccc(OC)cc3[O-])ccn2)cc1 ZINC000059783452 857396575 /nfs/dbraw/zinc/39/65/75/857396575.db2.gz RJCCFISWMABNLF-UHFFFAOYSA-N -1 3 394.427 3.917 20 0 GHADHM O=C(N[C@H]1CCCC1(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000672495520 857407401 /nfs/dbraw/zinc/40/74/01/857407401.db2.gz LUCXIISXGARKMU-INIZCTEOSA-N -1 3 398.406 3.544 20 0 GHADHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907049130 857449112 /nfs/dbraw/zinc/44/91/12/857449112.db2.gz QKIRQMAZCYDRSE-LBPRGKRZSA-N -1 3 391.493 3.899 20 0 GHADHM CCO[C@H](CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C(C)C ZINC000675524069 857493452 /nfs/dbraw/zinc/49/34/52/857493452.db2.gz VIVXXMVKRNGALH-GOSISDBHSA-N -1 3 396.915 3.674 20 0 GHADHM O=C(NCCOc1cccc(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000482309374 862923222 /nfs/dbraw/zinc/92/32/22/862923222.db2.gz MVPRJFOADAIWJO-UHFFFAOYSA-N -1 3 399.672 3.686 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1F ZINC000029009139 857579555 /nfs/dbraw/zinc/57/95/55/857579555.db2.gz VKRXRBZDERLNES-UHFFFAOYSA-N -1 3 382.844 3.504 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC000442230454 857621184 /nfs/dbraw/zinc/62/11/84/857621184.db2.gz QYHFVENEEPNCGL-UHFFFAOYSA-N -1 3 389.477 3.505 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181589419 862932331 /nfs/dbraw/zinc/93/23/31/862932331.db2.gz WMTVDCCMUPSNDL-IAGOWNOFSA-N -1 3 387.835 3.568 20 0 GHADHM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000907433269 857640810 /nfs/dbraw/zinc/64/08/10/857640810.db2.gz OTXOFCZQCPBWRP-XYPYZODXSA-N -1 3 394.718 3.529 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)ccc1F ZINC000442241434 857645245 /nfs/dbraw/zinc/64/52/45/857645245.db2.gz QBGIJSQZJDOLEW-RTBURBONSA-N -1 3 379.453 3.617 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCC(C)(C)O3)cc2)cc1 ZINC000486383846 857697568 /nfs/dbraw/zinc/69/75/68/857697568.db2.gz YXCNORWXDXROJL-GOSISDBHSA-N -1 3 388.489 3.692 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1 ZINC000157834538 857705220 /nfs/dbraw/zinc/70/52/20/857705220.db2.gz QQMDZLBTKLXKGK-UHFFFAOYSA-N -1 3 380.560 3.763 20 0 GHADHM Cc1ccc(Cl)c(OCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000676055626 857719663 /nfs/dbraw/zinc/71/96/63/857719663.db2.gz IPLSFBORYLAVFE-UHFFFAOYSA-N -1 3 384.657 3.812 20 0 GHADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000593784138 857724141 /nfs/dbraw/zinc/72/41/41/857724141.db2.gz OIGZCGMYMUUCPX-CZUORRHYSA-N -1 3 395.322 3.695 20 0 GHADHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1Cl ZINC000765772802 857730440 /nfs/dbraw/zinc/73/04/40/857730440.db2.gz UXVDRHFGCNJBJD-MRXNPFEDSA-N -1 3 375.749 3.734 20 0 GHADHM CCOC(=O)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc21 ZINC000498426163 857774098 /nfs/dbraw/zinc/77/40/98/857774098.db2.gz QBQRRRHFGFFTSR-UHFFFAOYSA-N -1 3 386.473 3.622 20 0 GHADHM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065621171 857828821 /nfs/dbraw/zinc/82/88/21/857828821.db2.gz VURHZPQIHANMRY-UHFFFAOYSA-N -1 3 388.489 3.675 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1Cl ZINC000065795932 857851858 /nfs/dbraw/zinc/85/18/58/857851858.db2.gz DIVUQZXBLVHXHY-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1Cl ZINC000046467056 857891925 /nfs/dbraw/zinc/89/19/25/857891925.db2.gz QXJGJSQLOAGCCV-LLVKDONJSA-N -1 3 393.336 3.696 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc(OC)c1[O-] ZINC000486603775 857905846 /nfs/dbraw/zinc/90/58/46/857905846.db2.gz HPYVTJUGEDDPMY-OAHLLOKOSA-N -1 3 393.386 3.818 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000486617696 857918300 /nfs/dbraw/zinc/91/83/00/857918300.db2.gz BAKDHVXNUKLVDU-JGVFFNPUSA-N -1 3 395.287 3.804 20 0 GHADHM CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000066473676 857936386 /nfs/dbraw/zinc/93/63/86/857936386.db2.gz CEMDPBBYACQJPD-GJZGRUSLSA-N -1 3 396.491 3.598 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc4[nH]c(=O)[nH]c4c3)nc2)n1 ZINC000674063923 862967662 /nfs/dbraw/zinc/96/76/62/862967662.db2.gz DYYBHTRRLJXIIK-LLVKDONJSA-N -1 3 376.420 3.562 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1ccc2ncccc2c1 ZINC000066772162 857965478 /nfs/dbraw/zinc/96/54/78/857965478.db2.gz SQGHYCGVUNNRAM-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908196204 857987817 /nfs/dbraw/zinc/98/78/17/857987817.db2.gz VBFWVMKZZJYZQK-LLVKDONJSA-N -1 3 379.382 3.782 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C(C)(C)C)c2)cc1 ZINC000574522284 858043397 /nfs/dbraw/zinc/04/33/97/858043397.db2.gz XBDBBQWIWJXEHE-UHFFFAOYSA-N -1 3 390.505 3.675 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnccc1C(F)(F)F ZINC000442739620 858092408 /nfs/dbraw/zinc/09/24/08/858092408.db2.gz SDYFARDABMYWLY-VHSXEESVSA-N -1 3 390.349 3.747 20 0 GHADHM CCc1cccc2c(CC[N-]S(=O)(=O)c3cnccc3C(F)(F)F)c[nH]c21 ZINC000442745774 858106141 /nfs/dbraw/zinc/10/61/41/858106141.db2.gz PSRXLPRQWGGOQA-UHFFFAOYSA-N -1 3 397.422 3.665 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000443093660 858373426 /nfs/dbraw/zinc/37/34/26/858373426.db2.gz NHFWMIMLZHVBLU-QGZVFWFLSA-N -1 3 379.865 3.556 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)c1nc(CCC2CCCC2)n[n-]1 ZINC000595031304 858374258 /nfs/dbraw/zinc/37/42/58/858374258.db2.gz DAONGTZBMMJIQB-UHFFFAOYSA-N -1 3 387.427 3.920 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)c1nnc(CCC2CCCC2)[n-]1 ZINC000595031304 858374264 /nfs/dbraw/zinc/37/42/64/858374264.db2.gz DAONGTZBMMJIQB-UHFFFAOYSA-N -1 3 387.427 3.920 20 0 GHADHM CCOc1cc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)cc(Br)c1[O-] ZINC000443100088 858378394 /nfs/dbraw/zinc/37/83/94/858378394.db2.gz WHNHLHJBUHEDLZ-PHIMTYICSA-N -1 3 396.285 3.976 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000733551686 863017566 /nfs/dbraw/zinc/01/75/66/863017566.db2.gz YMBWCEZBSGFOQJ-HNNXBMFYSA-N -1 3 389.473 3.529 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(Cc3cccs3)no2)ccc1F ZINC000521901177 858413268 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383.418 3.973 20 0 GHADHM C[C@@H](CCCC(=O)[O-])NCc1cc(Cl)ccc1I ZINC000596020260 858761588 /nfs/dbraw/zinc/76/15/88/858761588.db2.gz HJGCXRKWGSZRAK-VIFPVBQESA-N -1 3 381.641 3.678 20 0 GHADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC001129258504 858800604 /nfs/dbraw/zinc/80/06/04/858800604.db2.gz LKAQQOZOWNICHO-INIZCTEOSA-N -1 3 376.403 3.501 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2ccc(Cl)c(C(F)(F)F)c2)n[n-]1 ZINC000895237162 858855726 /nfs/dbraw/zinc/85/57/26/858855726.db2.gz VFDITYSHAINXBE-QMMMGPOBSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000895237162 858855735 /nfs/dbraw/zinc/85/57/35/858855735.db2.gz VFDITYSHAINXBE-QMMMGPOBSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](C)NCc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000895237162 858855742 /nfs/dbraw/zinc/85/57/42/858855742.db2.gz VFDITYSHAINXBE-QMMMGPOBSA-N -1 3 376.766 3.504 20 0 GHADHM CCc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1C ZINC000482797966 858861370 /nfs/dbraw/zinc/86/13/70/858861370.db2.gz BDBOFPJGSHRPPZ-UHFFFAOYSA-N -1 3 376.460 3.582 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC2(CC2)C1 ZINC000184110625 858875530 /nfs/dbraw/zinc/87/55/30/858875530.db2.gz JDIAYJZWXLWNLQ-FQEVSTJZSA-N -1 3 378.472 3.656 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000625777404 858876695 /nfs/dbraw/zinc/87/66/95/858876695.db2.gz DKQZGHAIHWMGIQ-UHFFFAOYSA-N -1 3 392.499 3.744 20 0 GHADHM NC(=O)CSc1ccccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000093908302 858890790 /nfs/dbraw/zinc/89/07/90/858890790.db2.gz SXIAXLXHUHUENR-UHFFFAOYSA-N -1 3 392.480 3.813 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](Oc1cccc(C(C)C)c1)c1ccccc1 ZINC000522261889 858919477 /nfs/dbraw/zinc/91/94/77/858919477.db2.gz KYWUFNSNWLSVLE-SFTDATJTSA-N -1 3 393.487 3.558 20 0 GHADHM CCc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])nn1-c1ccccc1 ZINC000443582282 858990737 /nfs/dbraw/zinc/99/07/37/858990737.db2.gz YCKWBGYHSAXAFO-UHFFFAOYSA-N -1 3 392.337 3.686 20 0 GHADHM Cc1ccc([C@@H](C)c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000544571641 859040073 /nfs/dbraw/zinc/04/00/73/859040073.db2.gz REEONLGDWILZMA-CVEARBPZSA-N -1 3 385.489 3.878 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000060322150 859074017 /nfs/dbraw/zinc/07/40/17/859074017.db2.gz MJTFACGUDUSRRK-INIZCTEOSA-N -1 3 376.497 3.674 20 0 GHADHM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)C(C)C ZINC000116710279 859110654 /nfs/dbraw/zinc/11/06/54/859110654.db2.gz FHHUJYSYJPZSJI-UHFFFAOYSA-N -1 3 378.469 3.692 20 0 GHADHM C[C@H](Sc1ncnn1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000185758322 859126016 /nfs/dbraw/zinc/12/60/16/859126016.db2.gz FVEXDWOMLLDLAM-QMMMGPOBSA-N -1 3 375.504 3.695 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc2c(cc1F)nc[nH]c2=O ZINC000483161116 859195114 /nfs/dbraw/zinc/19/51/14/859195114.db2.gz SSPHPQCJZVGBPR-UHFFFAOYSA-N -1 3 378.363 3.944 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccccc1Br ZINC000509378091 859229769 /nfs/dbraw/zinc/22/97/69/859229769.db2.gz JPKUKUZIVAZOEU-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1)C(=O)[O-] ZINC000909519018 859248569 /nfs/dbraw/zinc/24/85/69/859248569.db2.gz GWJUCTKZUQCNIG-LPHOPBHVSA-N -1 3 398.478 3.940 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc2cccc(Br)c21 ZINC000509400214 859324051 /nfs/dbraw/zinc/32/40/51/859324051.db2.gz AVZAYJGPBRYVKN-OAHLLOKOSA-N -1 3 386.249 3.851 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000923470566 859340082 /nfs/dbraw/zinc/34/00/82/859340082.db2.gz LYNCQFOYEUEOQU-HXUWFJFHSA-N -1 3 387.505 3.634 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000923472779 859356615 /nfs/dbraw/zinc/35/66/15/859356615.db2.gz YWAGJDIUCHGDCZ-FQEVSTJZSA-N -1 3 375.900 3.970 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)c1Cl ZINC000751213971 859386463 /nfs/dbraw/zinc/38/64/63/859386463.db2.gz DMOOFQRAUVASPL-CYBMUJFWSA-N -1 3 394.707 3.967 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cnc4c(c3)c(C)nn4-c3ccccc3)n[n-]2)o1 ZINC000764337907 859398704 /nfs/dbraw/zinc/39/87/04/859398704.db2.gz OHCWSBZBFLBTIZ-UHFFFAOYSA-N -1 3 399.414 3.668 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483552189 859456831 /nfs/dbraw/zinc/45/68/31/859456831.db2.gz ANJWSVYAHVPGGB-KBPBESRZSA-N -1 3 381.402 3.610 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000764480069 859468237 /nfs/dbraw/zinc/46/82/37/859468237.db2.gz PZWLUAHJXVGTFN-UHFFFAOYSA-N -1 3 383.349 3.504 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000764500939 859479008 /nfs/dbraw/zinc/47/90/08/859479008.db2.gz BFJYWIVXPVGZHQ-CYBMUJFWSA-N -1 3 382.888 3.813 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc(F)c(F)c1 ZINC000611156573 859624901 /nfs/dbraw/zinc/62/49/01/859624901.db2.gz MBSHIRFCYGLPCI-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CC(C)[C@H](CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673502271 859622260 /nfs/dbraw/zinc/62/22/60/859622260.db2.gz AYJYCIJZPHSNSJ-JZXOWHBKSA-N -1 3 383.492 3.696 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673503970 859627425 /nfs/dbraw/zinc/62/74/25/859627425.db2.gz NEMMDJLTEIKTHQ-RCJHGTSTSA-N -1 3 383.492 3.696 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000673509159 859631701 /nfs/dbraw/zinc/63/17/01/859631701.db2.gz PCGQPIZPBKYOLT-CABCVRRESA-N -1 3 399.466 3.518 20 0 GHADHM O=[S@@](Cc1nc(-c2ccc(Br)s2)no1)c1ccc([O-])cc1 ZINC000114629352 859779723 /nfs/dbraw/zinc/77/97/23/859779723.db2.gz QHTVZMQUXBDIFH-OAQYLSRUSA-N -1 3 385.264 3.574 20 0 GHADHM O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1cc2cc(Cl)ccc2s1 ZINC000765134262 859799348 /nfs/dbraw/zinc/79/93/48/859799348.db2.gz GDFAWWDKOSXMOX-UHFFFAOYSA-N -1 3 396.906 3.865 20 0 GHADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000165259987 859975048 /nfs/dbraw/zinc/97/50/48/859975048.db2.gz ZCKUYKTXVBZCHP-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC(C)=CCSC[C@H](NCc1c(Cl)nc2cc(Cl)ccn21)C(=O)[O-] ZINC000904013590 860023196 /nfs/dbraw/zinc/02/31/96/860023196.db2.gz IDQLDJIMOGCPAD-LBPRGKRZSA-N -1 3 388.320 3.883 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H]1CCCC[C@@H]1C ZINC000727319683 860044724 /nfs/dbraw/zinc/04/47/24/860044724.db2.gz APNHAOGECAMMLL-YOEHRIQHSA-N -1 3 398.544 3.943 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1[O-] ZINC000097014734 860079091 /nfs/dbraw/zinc/07/90/91/860079091.db2.gz YODCIBGWHHEVES-UHFFFAOYSA-N -1 3 390.439 3.859 20 0 GHADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000904070777 860095156 /nfs/dbraw/zinc/09/51/56/860095156.db2.gz ZOWVMKQGMLWTHH-VBKZILBWSA-N -1 3 391.899 3.761 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471582679 860096519 /nfs/dbraw/zinc/09/65/19/860096519.db2.gz PWZLIALLCGFYPD-UHFFFAOYSA-N -1 3 398.484 3.875 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)n1 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ZINC000904219186 860240549 /nfs/dbraw/zinc/24/05/49/860240549.db2.gz WKOGPHMWABDKOK-JOCHJYFZSA-N -1 3 398.503 3.838 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCC3(c4ccc(F)cc4F)CC3)o2)CC1 ZINC000904226613 860251641 /nfs/dbraw/zinc/25/16/41/860251641.db2.gz ZQDUHQYQFLCXFC-UHFFFAOYSA-N -1 3 390.430 3.680 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000602754593 860258243 /nfs/dbraw/zinc/25/82/43/860258243.db2.gz XUUGPTWKXXBPPO-RYUDHWBXSA-N -1 3 377.282 3.847 20 0 GHADHM CC(C)(COCc1ccccc1)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904235839 860273719 /nfs/dbraw/zinc/27/37/19/860273719.db2.gz DZAZITBCPCAGIV-UHFFFAOYSA-N -1 3 386.492 3.666 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)s1 ZINC000484756275 860325236 /nfs/dbraw/zinc/32/52/36/860325236.db2.gz TYLJZFXXZLJBAQ-CQSZACIVSA-N -1 3 397.518 3.609 20 0 GHADHM CCc1c(NC(=O)c2cc3c(cc2[O-])OCO3)cnn1-c1cccc(Cl)c1 ZINC000436597331 860378855 /nfs/dbraw/zinc/37/88/55/860378855.db2.gz UWIIEWREPOHIFQ-UHFFFAOYSA-N -1 3 385.807 3.775 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)nc1 ZINC000471792462 860381617 /nfs/dbraw/zinc/38/16/17/860381617.db2.gz KTGCUUJDAPADQA-KRWDZBQOSA-N -1 3 389.455 3.740 20 0 GHADHM Cc1cc(C)c(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)c(C)c1 ZINC000603030497 860438871 /nfs/dbraw/zinc/43/88/71/860438871.db2.gz WGRWDZSLHGVDRW-UHFFFAOYSA-N -1 3 390.486 3.984 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603043687 860454541 /nfs/dbraw/zinc/45/45/41/860454541.db2.gz NOWPDYONEPLKIM-QWRGUYRKSA-N -1 3 384.855 3.707 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(F)c3)ccc2O1 ZINC000729963564 860475929 /nfs/dbraw/zinc/47/59/29/860475929.db2.gz JCNNXVITOYUHMK-ZDUSSCGKSA-N -1 3 376.453 3.550 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000054294667 860479766 /nfs/dbraw/zinc/47/97/66/860479766.db2.gz IUMJDARCWLQQMM-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000598690839 860519983 /nfs/dbraw/zinc/51/99/83/860519983.db2.gz QGLLJIFDMFSJGZ-VIFPVBQESA-N -1 3 389.399 3.880 20 0 GHADHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000116358466 860547204 /nfs/dbraw/zinc/54/72/04/860547204.db2.gz YMUYRKWNUSYSTM-ZDUSSCGKSA-N -1 3 398.450 3.608 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)s1)c1ccccc1 ZINC000654756756 860562583 /nfs/dbraw/zinc/56/25/83/860562583.db2.gz IQZDBZXVMKUWIF-CYBMUJFWSA-N -1 3 381.461 3.705 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1Cl ZINC000671662897 860589172 /nfs/dbraw/zinc/58/91/72/860589172.db2.gz GRXXZKQPRLENEW-UHFFFAOYSA-N -1 3 382.869 3.670 20 0 GHADHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000016151573 860597536 /nfs/dbraw/zinc/59/75/36/860597536.db2.gz QOPZLPAPOPEQEB-UHFFFAOYSA-N -1 3 386.182 3.713 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000509061464 860752865 /nfs/dbraw/zinc/75/28/65/860752865.db2.gz 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Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730366940 861076747 /nfs/dbraw/zinc/07/67/47/861076747.db2.gz YYHMVCMVYJHRST-LLVKDONJSA-N -1 3 378.222 3.647 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000888236205 881610998 /nfs/dbraw/zinc/61/09/98/881610998.db2.gz MOEVZZIPQWOZFP-UHFFFAOYSA-N -1 3 396.535 3.695 20 0 GHADHM COc1cccc2[nH]cc(CC(=O)NCc3ccc([O-])c(Br)c3)c21 ZINC000182551855 861162188 /nfs/dbraw/zinc/16/21/88/861162188.db2.gz MPOYREOHZCYIJE-UHFFFAOYSA-N -1 3 389.249 3.504 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)c(=O)c2c(OC)c1 ZINC000625208067 861164897 /nfs/dbraw/zinc/16/48/97/861164897.db2.gz BXBGMODOIMSFIY-RHSMWYFYSA-N -1 3 386.492 3.880 20 0 GHADHM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2F)c1 ZINC000605496216 863117003 /nfs/dbraw/zinc/11/70/03/863117003.db2.gz MRCPPZVFZITANX-UHFFFAOYSA-N -1 3 385.464 3.999 20 0 GHADHM CCS[C@@H](C)c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546485537 863157687 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Cc1ccc2nc(CN3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)cn2c1 ZINC000176878384 863244016 /nfs/dbraw/zinc/24/40/16/863244016.db2.gz WVOIGTYQYJXXPC-UHFFFAOYSA-N -1 3 398.894 3.852 20 0 GHADHM O=C([N-]CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1)C(F)(F)F ZINC000281569630 863255970 /nfs/dbraw/zinc/25/59/70/863255970.db2.gz AQKNZDALHYIDCA-UHFFFAOYSA-N -1 3 396.453 3.878 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182875954 863388059 /nfs/dbraw/zinc/38/80/59/863388059.db2.gz ZQLBEHBHLJOEFL-HNNXBMFYSA-N -1 3 393.333 3.749 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1F ZINC000606343641 863524585 /nfs/dbraw/zinc/52/45/85/863524585.db2.gz RTDIYXLSEHENMG-UHFFFAOYSA-N -1 3 393.358 3.885 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)c(Br)c1 ZINC000606684007 863778753 /nfs/dbraw/zinc/77/87/53/863778753.db2.gz AHIZFTQZMXGFEO-SECBINFHSA-N -1 3 385.208 3.993 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606687880 863780899 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COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c1 ZINC000534591812 867101574 /nfs/dbraw/zinc/10/15/74/867101574.db2.gz ODIQAAICRGZUIH-UHFFFAOYSA-N -1 3 388.851 3.933 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1F ZINC000153969071 867181315 /nfs/dbraw/zinc/18/13/15/867181315.db2.gz RFVPPGCDJXWPDX-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](C(C)C)C3)nc(=O)c2c1C ZINC000444772732 867212695 /nfs/dbraw/zinc/21/26/95/867212695.db2.gz OLRNSTYYLMZVCU-ZIAGYGMSSA-N -1 3 391.537 3.899 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)c1 ZINC000456834732 867226528 /nfs/dbraw/zinc/22/65/28/867226528.db2.gz YNTFULJWMOVCMZ-UHFFFAOYSA-N -1 3 388.414 3.724 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523424956 867265878 /nfs/dbraw/zinc/26/58/78/867265878.db2.gz XSBWFACJXUBEMD-QGZVFWFLSA-N -1 3 392.858 3.646 20 0 GHADHM O=c1[n-]c(SCc2ncc(Cl)s2)nc2c1cnn2-c1ccccc1 ZINC000479207559 867353650 /nfs/dbraw/zinc/35/36/50/867353650.db2.gz QFMADOKGAZBKDV-UHFFFAOYSA-N -1 3 375.866 3.923 20 0 GHADHM COc1cccc2c1OCC(C(=O)Nc1ccc(Br)cc1[O-])=C2 ZINC000523458337 867369117 /nfs/dbraw/zinc/36/91/17/867369117.db2.gz DRHPKKSEIQBPRZ-UHFFFAOYSA-N -1 3 376.206 3.578 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F)OCO2 ZINC000479233165 867416566 /nfs/dbraw/zinc/41/65/66/867416566.db2.gz ZAASDVYAGOIXAW-UHFFFAOYSA-N -1 3 377.315 3.682 20 0 GHADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cnc4onc(C)c4c3)cc2s1 ZINC000479290591 867519714 /nfs/dbraw/zinc/51/97/14/867519714.db2.gz WIXAFLKJDLDIFR-UHFFFAOYSA-N -1 3 394.865 3.904 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cccnc1C(F)(F)F ZINC000553501888 867544780 /nfs/dbraw/zinc/54/47/80/867544780.db2.gz RTEDRIDXGPDNNZ-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C3CCCC3)CC2)ccc1F ZINC000742790759 867559556 /nfs/dbraw/zinc/55/95/56/867559556.db2.gz HQMGRBQKPBSZPB-UHFFFAOYSA-N -1 3 396.528 3.555 20 0 GHADHM COCN1C(=O)CCc2cc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)ccc21 ZINC000857188534 882099573 /nfs/dbraw/zinc/09/95/73/882099573.db2.gz PVJHDMFTDAXKNE-UHFFFAOYSA-N -1 3 394.349 3.546 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c(=O)[n-]1 ZINC000523605463 867637489 /nfs/dbraw/zinc/63/74/89/867637489.db2.gz WSZSKKSGRFYODI-UHFFFAOYSA-N -1 3 380.275 3.623 20 0 GHADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1OC1CCCC1 ZINC000479452317 867784601 /nfs/dbraw/zinc/78/46/01/867784601.db2.gz ZOZBVAKRWVPPFB-UHFFFAOYSA-N -1 3 382.420 3.955 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1ccc(Br)s1 ZINC000443093550 867785164 /nfs/dbraw/zinc/78/51/64/867785164.db2.gz MRBSPSRWAOQIMN-UHFFFAOYSA-N -1 3 385.308 3.513 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4cc(C)cc(C)c4)s3)nn2)cc1 ZINC000523709294 867798500 /nfs/dbraw/zinc/79/85/00/867798500.db2.gz NJKPTGVTYAHEKY-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM CCCCC[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC001126857814 867863707 /nfs/dbraw/zinc/86/37/07/867863707.db2.gz KAZMBNMKQUQDGM-ZDUSSCGKSA-N -1 3 392.240 3.779 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)cc1 ZINC000523833691 868031150 /nfs/dbraw/zinc/03/11/50/868031150.db2.gz DBOUYGCFSGQQDJ-UHFFFAOYSA-N -1 3 393.530 3.908 20 0 GHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)cs1 ZINC000163244123 868088341 /nfs/dbraw/zinc/08/83/41/868088341.db2.gz ISAWOWWKTIPBST-UHFFFAOYSA-N -1 3 395.449 3.900 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)c1[O-] ZINC000445342295 868289868 /nfs/dbraw/zinc/28/98/68/868289868.db2.gz KSLLESHHPVNVIJ-UHFFFAOYSA-N -1 3 394.214 3.939 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)c1nnc(Cc2ccccc2)[n-]1 ZINC000479665520 868291184 /nfs/dbraw/zinc/29/11/84/868291184.db2.gz LDRQUNBWIFBGMH-UHFFFAOYSA-N -1 3 382.272 3.676 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccc3)[C@@H]3CCCO3)nc2)n1 ZINC000172145326 882173482 /nfs/dbraw/zinc/17/34/82/882173482.db2.gz ATRRUVXPFMTEQM-GHTZIAJQSA-N -1 3 376.460 3.727 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cccnc1-n1cccn1 ZINC000190414506 882182261 /nfs/dbraw/zinc/18/22/61/882182261.db2.gz VMAUQWHRWZODPF-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000156526198 868389898 /nfs/dbraw/zinc/38/98/98/868389898.db2.gz BXSBBRSLALJGOS-UHFFFAOYSA-N -1 3 388.470 3.810 20 0 GHADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000524047624 868484308 /nfs/dbraw/zinc/48/43/08/868484308.db2.gz NHEQZGFQHPFWHS-NHYWBVRUSA-N -1 3 398.290 3.718 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000524133621 868612036 /nfs/dbraw/zinc/61/20/36/868612036.db2.gz SBMYAJMEWALISV-UHFFFAOYSA-N -1 3 397.360 3.955 20 0 GHADHM CCCNC(=O)c1cccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000744216096 868671170 /nfs/dbraw/zinc/67/11/70/868671170.db2.gz FCGPFNZCGIIVBF-UHFFFAOYSA-N -1 3 391.427 3.517 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc(Cl)c4c(c3)OCCO4)c2)n1 ZINC000744216490 868672917 /nfs/dbraw/zinc/67/29/17/868672917.db2.gz IJZOTFUWAHIOAR-UHFFFAOYSA-N -1 3 398.802 3.801 20 0 GHADHM CC[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(OC)cc1 ZINC000648432006 882226074 /nfs/dbraw/zinc/22/60/74/882226074.db2.gz MNRZPRLNZXAXJQ-LBPRGKRZSA-N -1 3 375.778 3.662 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000524290700 868836760 /nfs/dbraw/zinc/83/67/60/868836760.db2.gz MIIPEGUOVWLBDF-VQIMIIECSA-N -1 3 382.508 3.548 20 0 GHADHM Cc1cc2cc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)ccc2[nH]1 ZINC000524291692 868886332 /nfs/dbraw/zinc/88/63/32/868886332.db2.gz NMFBRXNIIIVXLM-UHFFFAOYSA-N -1 3 387.443 3.501 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2C)c([O-])c1 ZINC000535536132 868929942 /nfs/dbraw/zinc/92/99/42/868929942.db2.gz AIVXFJBFISCDMV-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCc3nc4ccccc4s3)nc21 ZINC000158427901 868945607 /nfs/dbraw/zinc/94/56/07/868945607.db2.gz SVOOMUIDQXNRHR-UHFFFAOYSA-N -1 3 394.456 3.921 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[C@H]1c1ccco1 ZINC000640297962 882252424 /nfs/dbraw/zinc/25/24/24/882252424.db2.gz AXKSDEAQNLCDGP-NSHDSACASA-N -1 3 376.766 3.729 20 0 GHADHM CC1(C)CN([C@@H](C[N-]C(=O)C(F)(F)C(F)F)c2ccc(Cl)cc2)CCO1 ZINC000857447482 882268678 /nfs/dbraw/zinc/26/86/78/882268678.db2.gz BGFGWGKBOPNECA-ZDUSSCGKSA-N -1 3 396.812 3.509 20 0 GHADHM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000745094770 869281011 /nfs/dbraw/zinc/28/10/11/869281011.db2.gz SYMXBVSFSKKLPP-FQEVSTJZSA-N -1 3 399.462 3.732 20 0 GHADHM COC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000446020683 869300603 /nfs/dbraw/zinc/30/06/03/869300603.db2.gz MPJVIXFYPYLOAM-CQSZACIVSA-N -1 3 390.505 3.715 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3cccc(Cl)c3)no2)ccc1F ZINC000524630607 869372097 /nfs/dbraw/zinc/37/20/97/869372097.db2.gz YAMJHKKPUFFKMQ-UHFFFAOYSA-N -1 3 393.827 3.637 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)ccc1C ZINC000524793194 869581509 /nfs/dbraw/zinc/58/15/09/869581509.db2.gz WAJKGANUFMGHJG-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM COc1cc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])cc(OC)c1OC ZINC000539687817 869602200 /nfs/dbraw/zinc/60/22/00/869602200.db2.gz CDNTUPDAMYGZDS-UHFFFAOYSA-N -1 3 393.823 3.673 20 0 GHADHM O=S(=O)([N-]Cc1csc2ccccc12)c1ccc(Br)cn1 ZINC000462533412 869609641 /nfs/dbraw/zinc/60/96/41/869609641.db2.gz UHVJTSKCJZMPDU-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1csc(NC2CC2)n1 ZINC000524856781 869654595 /nfs/dbraw/zinc/65/45/95/869654595.db2.gz NBNBEADUVLKMPC-UHFFFAOYSA-N -1 3 395.560 3.597 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2coc(-c3cccc(F)c3)n2)cc1[O-] ZINC000745652297 869720954 /nfs/dbraw/zinc/72/09/54/869720954.db2.gz HWNDHWJUTICUCK-UHFFFAOYSA-N -1 3 386.335 3.722 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc3ccccc3c2)cc1[O-] ZINC000745652120 869721116 /nfs/dbraw/zinc/72/11/16/869721116.db2.gz GMFLRRHOUUWXAW-UHFFFAOYSA-N -1 3 381.384 3.960 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cc1[O-] ZINC000745652713 869722615 /nfs/dbraw/zinc/72/26/15/869722615.db2.gz LYDCCNKZNJJZOA-LLVKDONJSA-N -1 3 383.360 3.539 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(F)cc1F ZINC000462634065 869800630 /nfs/dbraw/zinc/80/06/30/869800630.db2.gz ZLBBUYDRJBTTRP-LLVKDONJSA-N -1 3 380.199 3.684 20 0 GHADHM CCC[C@@H](CC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000195395403 882343787 /nfs/dbraw/zinc/34/37/87/882343787.db2.gz BJGZUGQJZHQHFU-OAHLLOKOSA-N -1 3 381.904 3.984 20 0 GHADHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462700830 869916334 /nfs/dbraw/zinc/91/63/34/869916334.db2.gz COFDKKBHSPGSMY-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)ccc1C ZINC000745994829 869932977 /nfs/dbraw/zinc/93/29/77/869932977.db2.gz QAJBVCFWLMCUGA-UHFFFAOYSA-N -1 3 394.468 3.566 20 0 GHADHM O=S(=O)([N-][C@@H]1C=CCC1)c1csc(-c2ccc(Br)cc2)n1 ZINC001192264697 870248703 /nfs/dbraw/zinc/24/87/03/870248703.db2.gz IZSQOOLSTDRDRP-GFCCVEGCSA-N -1 3 385.308 3.570 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)c([O-])c1 ZINC001192322915 870288421 /nfs/dbraw/zinc/28/84/21/870288421.db2.gz SATSUEBUFWHUGR-UHFFFAOYSA-N -1 3 395.459 3.778 20 0 GHADHM COc1ccnc(C2(CNC(=O)c3ccc(C(C)(C)C)cc3[O-])CCOCC2)c1 ZINC001192339539 870300392 /nfs/dbraw/zinc/30/03/92/870300392.db2.gz FTCIIHSPYUEXGJ-UHFFFAOYSA-N -1 3 398.503 3.572 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCc2ncc(C)cc2C)c(-c2ccccc2)s1 ZINC001212324199 870413167 /nfs/dbraw/zinc/41/31/67/870413167.db2.gz JCLQPDUNDMDSIE-UHFFFAOYSA-N -1 3 387.530 3.651 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3SCCc4sccc43)cc2)n1 ZINC000173827120 882408255 /nfs/dbraw/zinc/40/82/55/882408255.db2.gz VYCJLDKPIWYLDX-QGZVFWFLSA-N -1 3 383.498 3.776 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000538747871 870558935 /nfs/dbraw/zinc/55/89/35/870558935.db2.gz DGLSLVZAZUCWSN-SFHVURJKSA-N -1 3 381.476 3.771 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)[n-]n1 ZINC001192766513 870652808 /nfs/dbraw/zinc/65/28/08/870652808.db2.gz QDSVLAMLPLTCLQ-UHFFFAOYSA-N -1 3 398.033 3.847 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)n[n-]1 ZINC001192766513 870652818 /nfs/dbraw/zinc/65/28/18/870652818.db2.gz QDSVLAMLPLTCLQ-UHFFFAOYSA-N -1 3 398.033 3.847 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC001212333263 870702469 /nfs/dbraw/zinc/70/24/69/870702469.db2.gz ANQMQQXAIMBLAF-DZGCQCFKSA-N -1 3 397.846 3.985 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3ccc(C)nc32)cc1OC ZINC000525456241 870717254 /nfs/dbraw/zinc/71/72/54/870717254.db2.gz GONREGVEVCJNPQ-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001192838274 870721951 /nfs/dbraw/zinc/72/19/51/870721951.db2.gz KFEUQYORYQZBAG-GFCCVEGCSA-N -1 3 386.233 3.935 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(-c2ccccc2)cc1)c1cnccc1Cl ZINC001192913835 870768548 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CCOC(=O)c1ncc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)[n-]1 ZINC000617872420 870984584 /nfs/dbraw/zinc/98/45/84/870984584.db2.gz ROLQJDRWGOGZFG-QWHCGFSZSA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c[n-]1 ZINC000617872420 870984599 /nfs/dbraw/zinc/98/45/99/870984599.db2.gz ROLQJDRWGOGZFG-QWHCGFSZSA-N -1 3 396.472 3.885 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(-c2ccccc2)nc1C ZINC000181418336 870991530 /nfs/dbraw/zinc/99/15/30/870991530.db2.gz ZGDMEUPOHVVBRG-HNNXBMFYSA-N -1 3 375.384 3.620 20 0 GHADHM O=C(Nc1cc(F)cc2c1-c1ccc(F)cc1C2)c1cccc(OCCO)c1[O-] ZINC001193344006 871032824 /nfs/dbraw/zinc/03/28/24/871032824.db2.gz BACLKROBJRLHJB-UHFFFAOYSA-N -1 3 397.377 3.865 20 0 GHADHM COCc1nc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)cs1 ZINC000463157317 871036044 /nfs/dbraw/zinc/03/60/44/871036044.db2.gz AYJJZXIRIRFVAD-UHFFFAOYSA-N -1 3 384.248 3.634 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)c1 ZINC001193428494 871103679 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GHADHM O=S(=O)([N-]C[C@@H]1CCc2cccnc21)c1ccc(Cl)cc1C(F)(F)F ZINC001193750555 871290029 /nfs/dbraw/zinc/29/00/29/871290029.db2.gz BVEANJSIWNTNMF-NSHDSACASA-N -1 3 390.814 3.762 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000060471447 882494985 /nfs/dbraw/zinc/49/49/85/882494985.db2.gz ZIWURQSZVGCSTO-ZDUSSCGKSA-N -1 3 399.516 3.880 20 0 GHADHM O=C(NCc1ccn(Cc2ccccc2)n1)c1ccc([O-])cc1C(F)(F)F ZINC001193758965 871298844 /nfs/dbraw/zinc/29/88/44/871298844.db2.gz HBHGPQPFRPHANS-UHFFFAOYSA-N -1 3 375.350 3.586 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)NCC)ccc2C)cc1 ZINC000447272577 871300824 /nfs/dbraw/zinc/30/08/24/871300824.db2.gz RZWSVPIKWPGFGB-UHFFFAOYSA-N -1 3 391.493 3.726 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000447272068 871301989 /nfs/dbraw/zinc/30/19/89/871301989.db2.gz UXSRUCNWTGXOSE-UHFFFAOYSA-N -1 3 391.493 3.563 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000447272143 871302342 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Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001193952416 871397379 /nfs/dbraw/zinc/39/73/79/871397379.db2.gz FPGRKGOAUVKDBT-CYBMUJFWSA-N -1 3 383.322 3.558 20 0 GHADHM Cc1cc(Br)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC001193968836 871408420 /nfs/dbraw/zinc/40/84/20/871408420.db2.gz LJQKWVZXPNMPCP-HZGVNTEJSA-N -1 3 392.624 3.640 20 0 GHADHM Cc1cc(Br)cc([N-]S(=O)(=O)Cc2noc3ccccc32)c1 ZINC001194093082 871501215 /nfs/dbraw/zinc/50/12/15/871501215.db2.gz RFTXHQWARZMLFK-UHFFFAOYSA-N -1 3 381.251 3.841 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)c1ccccc1 ZINC001194096690 871502236 /nfs/dbraw/zinc/50/22/36/871502236.db2.gz MAFKNUDIPQRXGP-AWEZNQCLSA-N -1 3 389.370 3.784 20 0 GHADHM NC(=O)c1cc(Oc2cccc(OC(=O)c3cc4ccsc4[n-]3)c2)ccn1 ZINC000766726181 871532358 /nfs/dbraw/zinc/53/23/58/871532358.db2.gz QOCZKLFUOIEOPJ-UHFFFAOYSA-N -1 3 379.397 3.735 20 0 GHADHM CCC[C@@H](C)CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001194233637 871543409 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GHADHM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194866858 871998579 /nfs/dbraw/zinc/99/85/79/871998579.db2.gz QASYYZAJIDKBBE-UHFFFAOYSA-N -1 3 391.489 3.527 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cccc2nccnc21 ZINC001194985518 872089141 /nfs/dbraw/zinc/08/91/41/872089141.db2.gz GJCITXPSFQATPX-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM Cc1ccc([O-])c(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)n1 ZINC000093363418 872123656 /nfs/dbraw/zinc/12/36/56/872123656.db2.gz TXFPAQCTHNAZOT-UHFFFAOYSA-N -1 3 396.878 3.785 20 0 GHADHM CC(C)c1nccn1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001195116983 872181094 /nfs/dbraw/zinc/18/10/94/872181094.db2.gz NRVKNHHTVMDFJS-UHFFFAOYSA-N -1 3 395.834 3.657 20 0 GHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001195134852 872192326 /nfs/dbraw/zinc/19/23/26/872192326.db2.gz NGSBRZLZGGIONB-ZWKOTPCHSA-N -1 3 386.879 3.693 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(OC)cc1 ZINC000767080158 872238280 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3.592 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cnn(CC3CCC3)c2)c1Cl ZINC001195418681 872382293 /nfs/dbraw/zinc/38/22/93/872382293.db2.gz WCKNQPWYMSLZLS-UHFFFAOYSA-N -1 3 388.320 3.777 20 0 GHADHM CCOC(=O)NC(=S)[N-]c1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)no1 ZINC001195457628 872402574 /nfs/dbraw/zinc/40/25/74/872402574.db2.gz BBSXHWBANOXDPS-LBPRGKRZSA-N -1 3 398.485 3.580 20 0 GHADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1cc(Br)ccc1F ZINC001195504996 872454702 /nfs/dbraw/zinc/45/47/02/872454702.db2.gz AJILPWNCWPZJAF-UHFFFAOYSA-N -1 3 384.270 3.813 20 0 GHADHM O=S(=O)([N-]c1ncc2ccccc2c1Br)c1ccc(O)cc1 ZINC001195767815 872627587 /nfs/dbraw/zinc/62/75/87/872627587.db2.gz VTZTXFQSWIEILP-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM O=S(=O)(Nc1ncc2ccccc2c1Br)c1ccc([O-])cc1 ZINC001195767815 872627596 /nfs/dbraw/zinc/62/75/96/872627596.db2.gz VTZTXFQSWIEILP-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)[n-]1 ZINC000619446141 872633124 /nfs/dbraw/zinc/63/31/24/872633124.db2.gz SHVJTYXAXURIBK-UHFFFAOYSA-N -1 3 384.461 3.508 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c[n-]1 ZINC000619446141 872633127 /nfs/dbraw/zinc/63/31/27/872633127.db2.gz SHVJTYXAXURIBK-UHFFFAOYSA-N -1 3 384.461 3.508 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2cccc(OCc3cccc(C)c3)c2)[n-]1 ZINC000619448211 872636852 /nfs/dbraw/zinc/63/68/52/872636852.db2.gz ICDDFZXYEMZFPA-UHFFFAOYSA-N -1 3 393.443 3.655 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2cccc(OCc3cccc(C)c3)c2)c[n-]1 ZINC000619448211 872636857 /nfs/dbraw/zinc/63/68/57/872636857.db2.gz ICDDFZXYEMZFPA-UHFFFAOYSA-N -1 3 393.443 3.655 20 0 GHADHM Cn1cc2c(n1)ncnc2[N-]c1nc(-c2cccc(Br)c2)cs1 ZINC000163094041 872650777 /nfs/dbraw/zinc/65/07/77/872650777.db2.gz DKIMOXMUBQTOTR-UHFFFAOYSA-N -1 3 387.266 3.993 20 0 GHADHM [O-]c1cc(I)ccc1NC(=S)Nc1ccccc1F ZINC001195782509 872659179 /nfs/dbraw/zinc/65/91/79/872659179.db2.gz RLZTYJXBQSNTPJ-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM CC[C@H]1c2ccc(OC)c(OC)c2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001195787668 872662262 /nfs/dbraw/zinc/66/22/62/872662262.db2.gz BEQQXSQJPFUZLJ-KRWDZBQOSA-N -1 3 395.459 3.969 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cc21 ZINC001195795482 872668960 /nfs/dbraw/zinc/66/89/60/872668960.db2.gz BUXOUBNPNBGDBR-UHFFFAOYSA-N -1 3 388.445 3.931 20 0 GHADHM COc1cc(NS(=O)(=O)c2ccc([O-])cc2)c(Cl)cc1Br ZINC001195806806 872676749 /nfs/dbraw/zinc/67/67/49/872676749.db2.gz PDJULRNFKDDKDG-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)n1 ZINC000552542068 872785435 /nfs/dbraw/zinc/78/54/35/872785435.db2.gz YGOUSRLQWHAYOA-UHFFFAOYSA-N -1 3 375.856 3.664 20 0 GHADHM C[C@H](CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C)C(C)(C)C ZINC001195947286 872788129 /nfs/dbraw/zinc/78/81/29/872788129.db2.gz RMQSCQJKULLTBE-RDBSUJKOSA-N -1 3 394.478 3.522 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000775682568 872815939 /nfs/dbraw/zinc/81/59/39/872815939.db2.gz YZRXBCZFNFJOGC-UHFFFAOYSA-N -1 3 375.852 3.643 20 0 GHADHM Cn1cc2c(n1)ncnc2[N-]c1nc(-c2ccc(Br)cc2)cs1 ZINC000163108734 872823745 /nfs/dbraw/zinc/82/37/45/872823745.db2.gz VWNPPIBPVKZKPZ-UHFFFAOYSA-N -1 3 387.266 3.993 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1Cl ZINC000742232257 872846783 /nfs/dbraw/zinc/84/67/83/872846783.db2.gz IKLVTGOQAJIJRM-UHFFFAOYSA-N -1 3 390.273 3.808 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(Br)cc2OC)n1 ZINC001196103630 872882464 /nfs/dbraw/zinc/88/24/64/872882464.db2.gz FXLOLOZZEVHHEZ-HNNXBMFYSA-N -1 3 392.297 3.853 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000541110303 872957707 /nfs/dbraw/zinc/95/77/07/872957707.db2.gz WXDOPKQWTQOXPU-INIZCTEOSA-N -1 3 382.363 3.924 20 0 GHADHM COc1ccc(Br)nc1[N-]C(=O)c1snc(Cl)c1Cl ZINC001196334399 873039034 /nfs/dbraw/zinc/03/90/34/873039034.db2.gz QPOAUVZVSOGYMO-UHFFFAOYSA-N -1 3 383.054 3.868 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1)c1cccc(Br)n1 ZINC001196323186 873032086 /nfs/dbraw/zinc/03/20/86/873032086.db2.gz FDKDZYBJGGTFMO-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cccc2n[n-]nc21 ZINC000527355728 873074280 /nfs/dbraw/zinc/07/42/80/873074280.db2.gz SYGRKICVHMEFLY-CYBMUJFWSA-N -1 3 375.457 3.939 20 0 GHADHM O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000527364591 873087436 /nfs/dbraw/zinc/08/74/36/873087436.db2.gz CUOWBMIRQUDONU-ZDUSSCGKSA-N -1 3 386.280 3.593 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cnccc2-c2ccccc2)n[n-]1)c1ccccc1 ZINC001196472694 873119803 /nfs/dbraw/zinc/11/98/03/873119803.db2.gz DVWTVXMNSIMGPI-UHFFFAOYSA-N -1 3 383.411 3.544 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cnnc(Cl)c1Cl ZINC001196526427 873164479 /nfs/dbraw/zinc/16/44/79/873164479.db2.gz POVAWMBODHOPIS-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1O ZINC001196492081 873169662 /nfs/dbraw/zinc/16/96/62/873169662.db2.gz UQXMNDHSGVPMPA-UHFFFAOYSA-N -1 3 396.440 3.988 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cccc(Br)c2C)c1F ZINC001196550816 873203331 /nfs/dbraw/zinc/20/33/31/873203331.db2.gz CPPHTUTVZJSZCE-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC001196797164 873367158 /nfs/dbraw/zinc/36/71/58/873367158.db2.gz LAEFEYGFEYIKOJ-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCN1Cc1ccccc1 ZINC000464195292 873387259 /nfs/dbraw/zinc/38/72/59/873387259.db2.gz WSGIDAWDHYADLD-ZBFHGGJFSA-N -1 3 396.915 3.811 20 0 GHADHM Cc1ncc(CNC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000541340185 873425743 /nfs/dbraw/zinc/42/57/43/873425743.db2.gz ARMYHQWAJMYENX-LLVKDONJSA-N -1 3 382.386 3.502 20 0 GHADHM COc1cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)sc1Br ZINC000448489141 873470699 /nfs/dbraw/zinc/47/06/99/873470699.db2.gz GMIGWNIREIKOPA-UHFFFAOYSA-N -1 3 397.225 3.988 20 0 GHADHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000541386911 873491400 /nfs/dbraw/zinc/49/14/00/873491400.db2.gz OTGSXBSKZNUVEN-UONOGXRCSA-N -1 3 383.819 3.595 20 0 GHADHM Cc1nc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc(=O)[n-]1 ZINC001197018356 873545394 /nfs/dbraw/zinc/54/53/94/873545394.db2.gz WCMRWNXGCNGSOR-UHFFFAOYSA-N -1 3 380.351 3.885 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OCc2ccccc2)c1 ZINC000516613851 873627911 /nfs/dbraw/zinc/62/79/11/873627911.db2.gz OASJFIAXMKNVLB-UHFFFAOYSA-N -1 3 390.439 3.860 20 0 GHADHM O=S(=O)(Cc1cccnc1)[N-]c1cccc2cccc(Br)c21 ZINC001197466044 873821184 /nfs/dbraw/zinc/82/11/84/873821184.db2.gz ZLPKHGZVZJFUTJ-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3C)nc(=O)c2c1C ZINC000064162438 873835465 /nfs/dbraw/zinc/83/54/65/873835465.db2.gz OUISPVMZELZYEO-SNVBAGLBSA-N -1 3 387.417 3.736 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-][C@H]1COc2ccc(F)cc21 ZINC001197549535 873892349 /nfs/dbraw/zinc/89/23/49/873892349.db2.gz RRJWUVROCNQCPK-AWEZNQCLSA-N -1 3 376.236 3.686 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)c3c2CCC3)cc1OC ZINC000448751776 873918127 /nfs/dbraw/zinc/91/81/27/873918127.db2.gz PXXRTRGSVDTNMH-UHFFFAOYSA-N -1 3 388.489 3.506 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccc(-c2nnco2)cc1 ZINC001197750509 874027630 /nfs/dbraw/zinc/02/76/30/874027630.db2.gz RNXHJHFVQAXRLO-UHFFFAOYSA-N -1 3 384.244 3.985 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1Cl ZINC001197901937 874099346 /nfs/dbraw/zinc/09/93/46/874099346.db2.gz UINPEKWPSAPWDA-UHFFFAOYSA-N -1 3 398.868 3.512 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)c1 ZINC001197998172 874152224 /nfs/dbraw/zinc/15/22/24/874152224.db2.gz YFMWPUDTRIHOHV-UHFFFAOYSA-N -1 3 399.163 3.510 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2Cl)c(Br)c1 ZINC001198048056 874176427 /nfs/dbraw/zinc/17/64/27/874176427.db2.gz NRSVZUSIPGZFOQ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000494681551 882803757 /nfs/dbraw/zinc/80/37/57/882803757.db2.gz SVZYTKJPFCAGAD-UHFFFAOYSA-N -1 3 393.358 3.966 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448917630 874206335 /nfs/dbraw/zinc/20/63/35/874206335.db2.gz LFXXSTKHJOWXJU-ZYHUDNBSSA-N -1 3 378.416 3.698 20 0 GHADHM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)C(=O)c1ccc(F)cc1 ZINC000541787164 874274406 /nfs/dbraw/zinc/27/44/06/874274406.db2.gz FDOJATUWZUGSLU-UHFFFAOYSA-N -1 3 376.290 3.904 20 0 GHADHM CCc1cccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000769749064 874281070 /nfs/dbraw/zinc/28/10/70/874281070.db2.gz XWVXQBFXQFDGEE-UHFFFAOYSA-N -1 3 388.508 3.959 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1F)c1cccc(Cl)n1 ZINC001198260338 874291909 /nfs/dbraw/zinc/29/19/09/874291909.db2.gz WLAMSJYXALAPNQ-MRXNPFEDSA-N -1 3 398.887 3.710 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1Cl)c1cccc(Cl)n1 ZINC001198246280 874308366 /nfs/dbraw/zinc/30/83/66/874308366.db2.gz GFWRKXLXUOTEMT-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cs1 ZINC000541801861 874314557 /nfs/dbraw/zinc/31/45/57/874314557.db2.gz HCXGJUUVNYSLCT-UHFFFAOYSA-N -1 3 381.809 3.927 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2Br)cn1 ZINC001198314359 874346727 /nfs/dbraw/zinc/34/67/27/874346727.db2.gz ZGGALXZDLCDMJA-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM COC(=O)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000769882961 874349193 /nfs/dbraw/zinc/34/91/93/874349193.db2.gz KVNQUVLCTAVTAG-UHFFFAOYSA-N -1 3 375.424 3.803 20 0 GHADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1N1CCOC1=O ZINC000769938314 874376894 /nfs/dbraw/zinc/37/68/94/874376894.db2.gz PRSKPPDABGSKSU-UHFFFAOYSA-N -1 3 382.416 3.623 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000770008398 874399223 /nfs/dbraw/zinc/39/92/23/874399223.db2.gz MAPCOVCMQOZMOC-FUHWJXTLSA-N -1 3 383.444 3.629 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858084221 882829666 /nfs/dbraw/zinc/82/96/66/882829666.db2.gz NOIVYXBLSYCUBI-KRWDZBQOSA-N -1 3 392.377 3.977 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(C)c2ccccc2n1 ZINC001198583434 874526607 /nfs/dbraw/zinc/52/66/07/874526607.db2.gz VACKMQSDDWGOSA-UHFFFAOYSA-N -1 3 376.372 3.508 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC1CC1)c1cccc(F)c1 ZINC001198731286 874586748 /nfs/dbraw/zinc/58/67/48/874586748.db2.gz ZCZDXFXWAGADEG-AWEZNQCLSA-N -1 3 384.860 3.702 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(CC(C)C)CCC2)cc1OC ZINC000464889061 874719912 /nfs/dbraw/zinc/71/99/12/874719912.db2.gz DAKABFGCBLTIFO-UHFFFAOYSA-N -1 3 397.541 3.795 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(-c3ccc(OC)cc3)no2)cc1[O-] ZINC000745650906 874738900 /nfs/dbraw/zinc/73/89/00/874738900.db2.gz ZQDOLKGBBOXGTK-UHFFFAOYSA-N -1 3 398.371 3.591 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1[O-] ZINC000303006514 874790233 /nfs/dbraw/zinc/79/02/33/874790233.db2.gz NWKPBIRXRGIICD-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])c(Br)c1 ZINC000775934379 874794570 /nfs/dbraw/zinc/79/45/70/874794570.db2.gz XDDCCQNCIXCHJT-UHFFFAOYSA-N -1 3 398.640 3.912 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775936224 874797880 /nfs/dbraw/zinc/79/78/80/874797880.db2.gz VYLLOBRROHJJPO-UHFFFAOYSA-N -1 3 375.808 3.824 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2Cl)n[nH]1 ZINC000775940178 874834936 /nfs/dbraw/zinc/83/49/36/874834936.db2.gz XDFLRFRAVKQGLM-UHFFFAOYSA-N -1 3 386.843 3.613 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([O-])cc(Br)c2)cs1 ZINC000528681315 874878931 /nfs/dbraw/zinc/87/89/31/874878931.db2.gz PGYDAILNFDFFPW-JTQLQIEISA-N -1 3 399.310 3.981 20 0 GHADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000122500860 875040015 /nfs/dbraw/zinc/04/00/15/875040015.db2.gz KVOMCAKXLDPASU-UHFFFAOYSA-N -1 3 375.900 3.802 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(OCC2CCCC2)CC1 ZINC000528804079 875082081 /nfs/dbraw/zinc/08/20/81/875082081.db2.gz JGYUSXTWTCEYIX-UHFFFAOYSA-N -1 3 382.298 3.966 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cc(C(F)(F)F)ccc1F ZINC000303165392 875153921 /nfs/dbraw/zinc/15/39/21/875153921.db2.gz HVLBGVBNIQDZBQ-AWEZNQCLSA-N -1 3 377.334 3.949 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000542237262 875201114 /nfs/dbraw/zinc/20/11/14/875201114.db2.gz OQPCZVDOYVJKPS-UHFFFAOYSA-N -1 3 398.431 3.788 20 0 GHADHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000771585825 875328822 /nfs/dbraw/zinc/32/88/22/875328822.db2.gz DNSXHPYYIBOGJQ-ZANVPECISA-N -1 3 382.309 3.562 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000771714867 875409512 /nfs/dbraw/zinc/40/95/12/875409512.db2.gz RCGCHWGEPBUCRO-BONVTDFDSA-N -1 3 398.290 3.773 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000776127400 875426987 /nfs/dbraw/zinc/42/69/87/875426987.db2.gz QARGJECBEKERFH-UHFFFAOYSA-N -1 3 394.184 3.619 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465291218 875458908 /nfs/dbraw/zinc/45/89/08/875458908.db2.gz UGNGKEUHOWRPAB-GDBMZVCRSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc([O-])cc(Br)c1 ZINC000529033134 875493943 /nfs/dbraw/zinc/49/39/43/875493943.db2.gz VTTAHHXKRKMTRL-UHFFFAOYSA-N -1 3 390.277 3.715 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cn(Cc3ccccc3)c3ccccc3c2=O)n1 ZINC000542444502 875574262 /nfs/dbraw/zinc/57/42/62/875574262.db2.gz LVPGBMRQDWMMFO-UHFFFAOYSA-N -1 3 385.423 3.711 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccnc1SC(F)F ZINC000151599934 875647252 /nfs/dbraw/zinc/64/72/52/875647252.db2.gz PYOLQBGTBAGVES-UHFFFAOYSA-N -1 3 389.221 3.794 20 0 GHADHM COc1cccc(CN2CCC(NC(=O)c3cc(F)c([O-])c(Cl)c3)CC2)c1 ZINC000772147940 875744608 /nfs/dbraw/zinc/74/46/08/875744608.db2.gz HBUXRDQZEIIMKM-UHFFFAOYSA-N -1 3 392.858 3.588 20 0 GHADHM 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CCOC(=O)c1cc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)n[n-]1 ZINC000530363408 877636075 /nfs/dbraw/zinc/63/60/75/877636075.db2.gz ITPUCRUXLPCGHX-AWEZNQCLSA-N -1 3 379.416 3.979 20 0 GHADHM COC(=O)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000787846632 877663474 /nfs/dbraw/zinc/66/34/74/877663474.db2.gz XMARLWQICDWTDC-GOSISDBHSA-N -1 3 380.799 3.965 20 0 GHADHM CC[C@H](C)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000665976896 877775263 /nfs/dbraw/zinc/77/52/63/877775263.db2.gz QFFFSNWLGAXDLT-ZDUSSCGKSA-N -1 3 381.904 3.842 20 0 GHADHM O=C(Nc1ccccc1SCC(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000110048262 877785310 /nfs/dbraw/zinc/78/53/10/877785310.db2.gz IBKSJBLWYAWYHG-UHFFFAOYSA-N -1 3 379.363 3.830 20 0 GHADHM CC1(CCCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)OCCO1 ZINC000788096488 877834946 /nfs/dbraw/zinc/83/49/46/877834946.db2.gz FLKLZVZRHDECIN-UHFFFAOYSA-N -1 3 386.477 3.547 20 0 GHADHM O=C([O-])c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 ZINC000851708648 877873702 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Cc1ccccc1OCCCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053722017 878164462 /nfs/dbraw/zinc/16/44/62/878164462.db2.gz KLAJUKPCMXAKCW-UHFFFAOYSA-N -1 3 377.444 3.879 20 0 GHADHM Cc1cccc(F)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000179927156 878250322 /nfs/dbraw/zinc/25/03/22/878250322.db2.gz LKDSCPBPFDDTLD-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c(C)o1 ZINC000445461288 878378151 /nfs/dbraw/zinc/37/81/51/878378151.db2.gz GBOZGEUWRCFQJN-UHFFFAOYSA-N -1 3 388.232 3.520 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@H](O)c1c(F)cccc1F ZINC000788898297 878433001 /nfs/dbraw/zinc/43/30/01/878433001.db2.gz KUMDDTHYZUAQNS-RISCZKNCSA-N -1 3 395.880 3.779 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000616046998 878466241 /nfs/dbraw/zinc/46/62/41/878466241.db2.gz XRQXDNSTPWCIIE-UHFFFAOYSA-N -1 3 382.851 3.851 20 0 GHADHM CCc1cc2c(CN3CCO[C@@H](Cc4ccccc4)C3)cc(=O)oc2cc1[O-] ZINC000776607483 878468018 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COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(C)c1OC ZINC000853037712 878764174 /nfs/dbraw/zinc/76/41/74/878764174.db2.gz ZOYICRQFBVNZBP-INIZCTEOSA-N -1 3 383.366 3.947 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)s1 ZINC000460929349 878836630 /nfs/dbraw/zinc/83/66/30/878836630.db2.gz DSYKNBUBDHHWTL-ZYHUDNBSSA-N -1 3 376.425 3.559 20 0 GHADHM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000180428570 878894514 /nfs/dbraw/zinc/89/45/14/878894514.db2.gz FWOMPFXYBIDFFT-UHFFFAOYSA-N -1 3 396.871 3.928 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc3nc(N)sc3c2)c([O-])c1 ZINC001183302078 912410791 /nfs/dbraw/zinc/41/07/91/912410791.db2.gz IELNCENJJOQMBD-UHFFFAOYSA-N -1 3 399.472 3.721 20 0 GHADHM CCOc1ccccc1CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178266696 879064955 /nfs/dbraw/zinc/06/49/55/879064955.db2.gz GORBKGAQCRZCOT-UHFFFAOYSA-N -1 3 393.281 3.895 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)c3ccccc3[S-])C[C@H](C1)O2 ZINC001272012582 879124387 /nfs/dbraw/zinc/12/43/87/879124387.db2.gz BMVIIWAQCAEFOJ-KURKYZTESA-N -1 3 376.566 3.717 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c1Cl ZINC000538284293 879142445 /nfs/dbraw/zinc/14/24/45/879142445.db2.gz XFEJRPVVEUICJF-LBPRGKRZSA-N -1 3 380.337 3.769 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCSc2cccc(Cl)c2)cc1OC ZINC000853668866 879212806 /nfs/dbraw/zinc/21/28/06/879212806.db2.gz DIZHHOOZNYPFAC-UHFFFAOYSA-N -1 3 381.881 3.740 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)s1 ZINC000531157843 879262778 /nfs/dbraw/zinc/26/27/78/879262778.db2.gz OLOURFXHCUWYCH-VIFPVBQESA-N -1 3 377.857 3.850 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c(C(=O)OCC)[n-]1 ZINC000616916407 879263683 /nfs/dbraw/zinc/26/36/83/879263683.db2.gz ILEBRWMSGQSASL-UHFFFAOYSA-N -1 3 398.463 3.530 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Nc2ccccc2)ccc1F ZINC000180801435 879333081 /nfs/dbraw/zinc/33/30/81/879333081.db2.gz KXLLZCNHGCQIGI-UHFFFAOYSA-N -1 3 399.447 3.730 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cn1 ZINC000789898697 879345547 /nfs/dbraw/zinc/34/55/47/879345547.db2.gz YIBOTAOAOLZQRQ-CYBMUJFWSA-N -1 3 377.466 3.796 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000617214930 879485492 /nfs/dbraw/zinc/48/54/92/879485492.db2.gz AWCWTNJITODURO-UHFFFAOYSA-N -1 3 392.521 3.612 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C(C)(C)C3CCCCC3)c2)[n-]1 ZINC000790157757 879496646 /nfs/dbraw/zinc/49/66/46/879496646.db2.gz KSSJBJVUDUCBQV-UHFFFAOYSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C(C)(C)C3CCCCC3)c2)n[n-]1 ZINC000790157757 879496657 /nfs/dbraw/zinc/49/66/57/879496657.db2.gz KSSJBJVUDUCBQV-UHFFFAOYSA-N -1 3 398.507 3.871 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cnc(Br)c(Cl)c1 ZINC000790192305 879510985 /nfs/dbraw/zinc/51/09/85/879510985.db2.gz WRXMTMVTUSSRBT-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM Cc1sc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)nc1C(C)C ZINC000617245987 879528423 /nfs/dbraw/zinc/52/84/23/879528423.db2.gz WGWQPGVBANURAU-UHFFFAOYSA-N -1 3 397.504 3.600 20 0 GHADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790228204 879560138 /nfs/dbraw/zinc/56/01/38/879560138.db2.gz LWKFLXIZFQRFRB-BDAKNGLRSA-N -1 3 384.748 3.665 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([O-])c1 ZINC000452490554 879563324 /nfs/dbraw/zinc/56/33/24/879563324.db2.gz UAUMNAUNDFRJAT-KNQAVFIVSA-N -1 3 387.451 3.511 20 0 GHADHM CC[C@H](C)c1ncc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461345318 879612525 /nfs/dbraw/zinc/61/25/25/879612525.db2.gz QLEAVTYNFWVLLG-LBPRGKRZSA-N -1 3 398.326 3.737 20 0 GHADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1[n-]cnc1C(F)(F)F ZINC000854223657 879642189 /nfs/dbraw/zinc/64/21/89/879642189.db2.gz HYLPUOXNUALGMY-UHFFFAOYSA-N -1 3 390.369 3.666 20 0 GHADHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1nc[n-]c1C(F)(F)F ZINC000854223657 879642197 /nfs/dbraw/zinc/64/21/97/879642197.db2.gz HYLPUOXNUALGMY-UHFFFAOYSA-N -1 3 390.369 3.666 20 0 GHADHM CCOC(=O)c1cc2ccccc2cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000790343061 879643594 /nfs/dbraw/zinc/64/35/94/879643594.db2.gz VRIOUACPOYYEFK-UHFFFAOYSA-N -1 3 387.395 3.918 20 0 GHADHM CC(C)c1ncc(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)[n-]1 ZINC000790425212 879706919 /nfs/dbraw/zinc/70/69/19/879706919.db2.gz YZQHZWDTAHPMRT-UHFFFAOYSA-N -1 3 386.477 3.501 20 0 GHADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493924414 879737484 /nfs/dbraw/zinc/73/74/84/879737484.db2.gz HQAKAEHAGJVYQB-JTQLQIEISA-N -1 3 384.723 3.586 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C(C)(C)O1 ZINC000493916902 879716084 /nfs/dbraw/zinc/71/60/84/879716084.db2.gz NSZIVSORHXWQFC-NSHDSACASA-N -1 3 396.734 3.727 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c(Br)c1 ZINC001212296549 879735628 /nfs/dbraw/zinc/73/56/28/879735628.db2.gz DGCUDVFXRXJIME-VHSXEESVSA-N -1 3 384.698 3.970 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3n[nH]c(C)n3)ccc2C)c(C)c1 ZINC000531382369 879747786 /nfs/dbraw/zinc/74/77/86/879747786.db2.gz BCWULLXYUMIHGC-UHFFFAOYSA-N -1 3 386.477 3.515 20 0 GHADHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000152828364 879770437 /nfs/dbraw/zinc/77/04/37/879770437.db2.gz AJEMWEISVCQMGK-HNNXBMFYSA-N -1 3 384.358 3.779 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cnn(C(C)(C)C)c2Br)c1[O-] ZINC000854467911 879831342 /nfs/dbraw/zinc/83/13/42/879831342.db2.gz LQVGYFFSLNSWNA-UHFFFAOYSA-N -1 3 380.242 3.561 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[O-] ZINC000854502502 879857300 /nfs/dbraw/zinc/85/73/00/879857300.db2.gz OGGUCUOABJJFOL-UHFFFAOYSA-N -1 3 396.443 3.997 20 0 GHADHM O=C(NCC[C@@H]1CCCC1(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000914419195 879871036 /nfs/dbraw/zinc/87/10/36/879871036.db2.gz JIOFTKZUBWHRHM-JTQLQIEISA-N -1 3 399.235 3.846 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Oc4ccccc4)ccn3)nc21 ZINC000494115333 879911536 /nfs/dbraw/zinc/91/15/36/879911536.db2.gz DWWHMRPTSBHDEA-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1ccc(Cl)nc1Cl ZINC000790921623 880063799 /nfs/dbraw/zinc/06/37/99/880063799.db2.gz OAEWGUKMCTXOON-LLVKDONJSA-N -1 3 379.309 3.549 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000183260669 880079721 /nfs/dbraw/zinc/07/97/21/880079721.db2.gz JLCYYRAWMHURIU-UHFFFAOYSA-N -1 3 377.379 3.750 20 0 GHADHM CCc1cc2c(CSc3nccn3Cc3ccccn3)cc(=O)oc2cc1[O-] ZINC000112772198 880144302 /nfs/dbraw/zinc/14/43/02/880144302.db2.gz AJINNHNLAZMXHS-UHFFFAOYSA-N -1 3 393.468 3.993 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286038797 912544858 /nfs/dbraw/zinc/54/48/58/912544858.db2.gz BNDNJHRMROCNAQ-SJLPKXTDSA-N -1 3 393.405 3.616 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)n(C(C)(C)C)n1 ZINC000531719188 880375504 /nfs/dbraw/zinc/37/55/04/880375504.db2.gz AFQOTAAVVYSFIJ-UHFFFAOYSA-N -1 3 381.274 3.736 20 0 GHADHM CCc1ccc(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c([O-])c1 ZINC000855311811 880437269 /nfs/dbraw/zinc/43/72/69/880437269.db2.gz IHTJNDSVVMLKFO-UHFFFAOYSA-N -1 3 378.350 3.611 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2c(C)noc2C(F)(F)F)cc(Cl)c1F ZINC000791770739 880669631 /nfs/dbraw/zinc/66/96/31/880669631.db2.gz DSWCMNJMENIVPR-UHFFFAOYSA-N -1 3 380.681 3.833 20 0 GHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1-c1ccccc1 ZINC000186839750 881000346 /nfs/dbraw/zinc/00/03/46/881000346.db2.gz MIOCQMFRQGPHCN-MRXNPFEDSA-N -1 3 397.500 3.803 20 0 GHADHM CCOc1ccc(C(C)=O)cc1CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186852161 881004669 /nfs/dbraw/zinc/00/46/69/881004669.db2.gz DGSNACWITPGVMR-UHFFFAOYSA-N -1 3 398.484 3.960 20 0 GHADHM CCOc1ccc(C(C)=O)cc1CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186852161 881004684 /nfs/dbraw/zinc/00/46/84/881004684.db2.gz DGSNACWITPGVMR-UHFFFAOYSA-N -1 3 398.484 3.960 20 0 GHADHM CCCCNC(=O)[C@H]1CC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275211183 912639514 /nfs/dbraw/zinc/63/95/14/912639514.db2.gz ZSNLQGXKEUUJKQ-OAHLLOKOSA-N -1 3 395.341 3.673 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1 ZINC000119657835 881084565 /nfs/dbraw/zinc/08/45/65/881084565.db2.gz RPHRTCHJNPHCHF-UHFFFAOYSA-N -1 3 382.869 3.508 20 0 GHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3oc4ccc(F)cc4c3C)CC2)n1 ZINC000532121046 881173643 /nfs/dbraw/zinc/17/36/43/881173643.db2.gz JMBGZUXXGJFSCT-UHFFFAOYSA-N -1 3 393.440 3.576 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1CO)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187584589 881238091 /nfs/dbraw/zinc/23/80/91/881238091.db2.gz FKEDXMUDUNHCCY-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM COc1ccccc1-c1ccnc(C2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000856523748 881323716 /nfs/dbraw/zinc/32/37/16/881323716.db2.gz XXNJEKURAIKXNU-UHFFFAOYSA-N -1 3 389.455 3.878 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000532162945 881325696 /nfs/dbraw/zinc/32/56/96/881325696.db2.gz GVAIGBAADXICGW-RBUKOAKNSA-N -1 3 396.491 3.969 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cs2)cc1 ZINC001129729571 883138402 /nfs/dbraw/zinc/13/84/02/883138402.db2.gz ZOYIIGDFQXMXLS-UHFFFAOYSA-N -1 3 394.435 3.944 20 0 GHADHM Cc1ncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)s1 ZINC000551071679 883232912 /nfs/dbraw/zinc/23/29/12/883232912.db2.gz LZIQLILMDZOZSU-UHFFFAOYSA-N -1 3 389.238 3.716 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2nn(C(C)(C)C)cc2Br)s1 ZINC000666967280 883420448 /nfs/dbraw/zinc/42/04/48/883420448.db2.gz APBLCXWSVAYLJH-UHFFFAOYSA-N -1 3 386.319 3.703 20 0 GHADHM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000102469209 883456880 /nfs/dbraw/zinc/45/68/80/883456880.db2.gz CNBHFBWLZGMQAQ-UHFFFAOYSA-N -1 3 379.821 3.589 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cnc(OCC2CC2)cn1 ZINC000551202639 883477069 /nfs/dbraw/zinc/47/70/69/883477069.db2.gz IJSMROCBLDDTKW-UHFFFAOYSA-N -1 3 387.852 3.690 20 0 GHADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000175316293 883602521 /nfs/dbraw/zinc/60/25/21/883602521.db2.gz SYEBCLKGRCKPIC-UHFFFAOYSA-N -1 3 377.771 3.803 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cnc(Cl)c(Cl)c1 ZINC000321380630 883713227 /nfs/dbraw/zinc/71/32/27/883713227.db2.gz HCUCVDZNBIIIPA-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=C(Nc1cccc(Cl)c1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136329523 883798314 /nfs/dbraw/zinc/79/83/14/883798314.db2.gz CESTXLBGKPMGRC-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4oc(=O)[nH]c4c3)nc(=O)c2c1C ZINC000805656877 883977773 /nfs/dbraw/zinc/97/77/73/883977773.db2.gz YBJADANERHVNSZ-QMMMGPOBSA-N -1 3 385.401 3.779 20 0 GHADHM CS[C@@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000129935077 883993425 /nfs/dbraw/zinc/99/34/25/883993425.db2.gz ACGRBBFKUPCBIK-HNNXBMFYSA-N -1 3 392.546 3.586 20 0 GHADHM CC(C)N(C)C(=O)C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC000859783371 884058016 /nfs/dbraw/zinc/05/80/16/884058016.db2.gz RYQAXKBYMABQIN-UHFFFAOYSA-N -1 3 384.476 3.724 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\Sc2ccccc2)cc1OC ZINC000918660733 884128455 /nfs/dbraw/zinc/12/84/55/884128455.db2.gz PAIICMVSOONKCT-QXMHVHEDSA-N -1 3 392.502 3.701 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1N1CCOCC1 ZINC000648732510 884134928 /nfs/dbraw/zinc/13/49/28/884134928.db2.gz BXUHHDAPXZPABW-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM CCCN(CC1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000918684345 884145730 /nfs/dbraw/zinc/14/57/30/884145730.db2.gz CUMBWONYSPFNOL-UHFFFAOYSA-N -1 3 398.544 3.945 20 0 GHADHM CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CO2 ZINC000476159363 884165910 /nfs/dbraw/zinc/16/59/10/884165910.db2.gz MYFCYEJSQAZBLS-GFCCVEGCSA-N -1 3 381.350 4.000 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1sccc1Br ZINC000918801223 884351749 /nfs/dbraw/zinc/35/17/49/884351749.db2.gz NBSMBXUGEGVGNM-UHFFFAOYSA-N -1 3 398.326 3.585 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(F)c2)cc(C(F)(F)F)c1 ZINC000795781417 912814987 /nfs/dbraw/zinc/81/49/87/912814987.db2.gz GJVFLDGCKUAVGY-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM O=C(CC1(CC(=O)NOCc2ccccc2)CCCC1)[N-]OCc1ccccc1 ZINC000729837001 884356809 /nfs/dbraw/zinc/35/68/09/884356809.db2.gz GGWNYKLHLYRBTO-UHFFFAOYSA-N -1 3 396.487 3.823 20 0 GHADHM CSc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029785573 884423216 /nfs/dbraw/zinc/42/32/16/884423216.db2.gz JWFKALAAIBQDAZ-UHFFFAOYSA-N -1 3 396.509 3.877 20 0 GHADHM O=C([O-])[C@]1(NCc2ccc(OCC(F)(F)F)cc2)CCc2c1cccc2F ZINC000556323519 884472526 /nfs/dbraw/zinc/47/25/26/884472526.db2.gz TZMKHLJCRTXNBY-SFHVURJKSA-N -1 3 383.341 3.783 20 0 GHADHM CC(C)[C@@H]1C[C@](NCc2cnn(CC(F)(F)F)c2)(C(=O)[O-])c2ccccc21 ZINC000556331749 884494194 /nfs/dbraw/zinc/49/41/94/884494194.db2.gz KIFUVBVWEQFOGC-MAUKXSAKSA-N -1 3 381.398 3.658 20 0 GHADHM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cccnc1 ZINC000025393180 884513293 /nfs/dbraw/zinc/51/32/93/884513293.db2.gz HRMGVTZUSGYYOM-AWEZNQCLSA-N -1 3 399.447 3.513 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccccc3CCC(F)(F)F)c2c1=O ZINC000898028894 884561380 /nfs/dbraw/zinc/56/13/80/884561380.db2.gz YQPDTEMFCRFIBJ-UHFFFAOYSA-N -1 3 392.381 3.800 20 0 GHADHM Cc1sc(Cl)nc1C(=O)Nc1cc(I)ccc1[O-] ZINC000762866467 884617671 /nfs/dbraw/zinc/61/76/71/884617671.db2.gz QGMRRVRYAKZGDX-UHFFFAOYSA-N -1 3 394.621 3.667 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3cccc(F)c3)s2)c2ccccc21 ZINC000914746374 884673807 /nfs/dbraw/zinc/67/38/07/884673807.db2.gz UFRYVVXGCKNOGV-BOPFTXTBSA-N -1 3 379.416 3.596 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000861010271 885164013 /nfs/dbraw/zinc/16/40/13/885164013.db2.gz MVULKJMUGUGVPK-YHAMSUFESA-N -1 3 386.391 3.692 20 0 GHADHM CN(C)[C@H](CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccccc1 ZINC000666509794 885228108 /nfs/dbraw/zinc/22/81/08/885228108.db2.gz GQLQJHWEHYQNRN-OAQYLSRUSA-N -1 3 395.503 3.577 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1[O-] ZINC000107160496 885246549 /nfs/dbraw/zinc/24/65/49/885246549.db2.gz KRDZOWHAUGKOOC-UHFFFAOYSA-N -1 3 382.441 3.896 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3coc(Br)c3)s2)c1 ZINC000107177799 885256569 /nfs/dbraw/zinc/25/65/69/885256569.db2.gz OPMLEOAEVJJFIT-UHFFFAOYSA-N -1 3 394.250 3.745 20 0 GHADHM CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919328500 885344121 /nfs/dbraw/zinc/34/41/21/885344121.db2.gz DLSLMTFGJDVVEB-UHFFFAOYSA-N -1 3 381.432 3.898 20 0 GHADHM CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919328500 885344139 /nfs/dbraw/zinc/34/41/39/885344139.db2.gz DLSLMTFGJDVVEB-UHFFFAOYSA-N -1 3 381.432 3.898 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1C ZINC000919329299 885345282 /nfs/dbraw/zinc/34/52/82/885345282.db2.gz NRLDFNMBCNSPGF-ZDUSSCGKSA-N -1 3 383.404 3.554 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1C ZINC000919329299 885345299 /nfs/dbraw/zinc/34/52/99/885345299.db2.gz NRLDFNMBCNSPGF-ZDUSSCGKSA-N -1 3 383.404 3.554 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329294 885345370 /nfs/dbraw/zinc/34/53/70/885345370.db2.gz NOARWVAQSNKLLU-MRXNPFEDSA-N -1 3 399.472 3.732 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329294 885345383 /nfs/dbraw/zinc/34/53/83/885345383.db2.gz NOARWVAQSNKLLU-MRXNPFEDSA-N -1 3 399.472 3.732 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000071939747 885388194 /nfs/dbraw/zinc/38/81/94/885388194.db2.gz LSEQGQXAUHMDIM-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cnc(Cc2ccccc2)s1 ZINC000131095668 885493919 /nfs/dbraw/zinc/49/39/19/885493919.db2.gz YCMBPUCXPPZYAL-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000533922809 885545790 /nfs/dbraw/zinc/54/57/90/885545790.db2.gz UIJXXMXUFUPRFU-SECBINFHSA-N -1 3 392.242 3.630 20 0 GHADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104735075 885592431 /nfs/dbraw/zinc/59/24/31/885592431.db2.gz PPWWONBKLMVBQM-BXUZGUMPSA-N -1 3 376.881 3.685 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc(F)c(F)cc1F ZINC000610966591 885595883 /nfs/dbraw/zinc/59/58/83/885595883.db2.gz BDGGRUYHUUTHMC-UHFFFAOYSA-N -1 3 393.102 3.666 20 0 GHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000609219225 885644076 /nfs/dbraw/zinc/64/40/76/885644076.db2.gz MTSJMPDLJGOTPU-UHFFFAOYSA-N -1 3 375.490 3.827 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCCNC(=O)c1ccc([O-])cc1 ZINC000108447999 885694402 /nfs/dbraw/zinc/69/44/02/885694402.db2.gz FPORMKSOESKPFZ-UHFFFAOYSA-N -1 3 380.488 3.602 20 0 GHADHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000915186974 885962820 /nfs/dbraw/zinc/96/28/20/885962820.db2.gz HYAXKQUUMRJYQI-FLIBITNWSA-N -1 3 389.473 3.689 20 0 GHADHM COc1ccc(C2(C(=O)Nc3cc(Br)ccc3[O-])CC2)c(OC)c1 ZINC001184142648 913026056 /nfs/dbraw/zinc/02/60/56/913026056.db2.gz YDJMPSMGACWIEY-UHFFFAOYSA-N -1 3 392.249 3.842 20 0 GHADHM COc1cc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC000862353242 886312069 /nfs/dbraw/zinc/31/20/69/886312069.db2.gz XZBCWELPYGCQRB-UHFFFAOYSA-N -1 3 398.347 3.605 20 0 GHADHM COc1cc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000862370727 886332677 /nfs/dbraw/zinc/33/26/77/886332677.db2.gz REYIMZSUDPBSGV-LLVKDONJSA-N -1 3 398.347 3.605 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnoc3C)cc2)cc1 ZINC000057120022 886467793 /nfs/dbraw/zinc/46/77/93/886467793.db2.gz YYDHLKCHPBDUKY-UHFFFAOYSA-N -1 3 399.472 3.989 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000762737819 886774340 /nfs/dbraw/zinc/77/43/40/886774340.db2.gz FTFQQHXHMVUECX-CQSZACIVSA-N -1 3 382.451 3.893 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1c[n-]c2ccccc2c1=O ZINC000053791977 886841068 /nfs/dbraw/zinc/84/10/68/886841068.db2.gz BQYCZHVGLWXMAD-UHFFFAOYSA-N -1 3 379.416 3.967 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(C)C ZINC001212205877 886898800 /nfs/dbraw/zinc/89/88/00/886898800.db2.gz YYENJAOFORLTET-CQSZACIVSA-N -1 3 388.942 3.803 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC000614827053 886923722 /nfs/dbraw/zinc/92/37/22/886923722.db2.gz PJEMTOGCLMXNEV-STQMWFEESA-N -1 3 398.488 3.545 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000153715470 887399698 /nfs/dbraw/zinc/39/96/98/887399698.db2.gz YMQOTQVBUDZKHP-HNNXBMFYSA-N -1 3 380.419 3.905 20 0 GHADHM COc1ccccc1-c1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000032585131 887430028 /nfs/dbraw/zinc/43/00/28/887430028.db2.gz HTKDGJOPOSHTAG-XNTDXEJSSA-N -1 3 377.425 3.542 20 0 GHADHM CCSc1cccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)c1 ZINC000864360470 887724935 /nfs/dbraw/zinc/72/49/35/887724935.db2.gz JULUVJRXYDVCQU-UHFFFAOYSA-N -1 3 396.463 3.863 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CC1)c1ccc(Br)s1 ZINC000049512662 887739610 /nfs/dbraw/zinc/73/96/10/887739610.db2.gz BBQQNKTZFSDFGK-UHFFFAOYSA-N -1 3 390.299 3.660 20 0 GHADHM COc1cc(NCc2cccc([O-])c2Br)ccc1N1CCCC1=O ZINC000459368579 887752021 /nfs/dbraw/zinc/75/20/21/887752021.db2.gz PMJJKMKOXHJNQB-UHFFFAOYSA-N -1 3 391.265 3.902 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 ZINC000170551781 887795981 /nfs/dbraw/zinc/79/59/81/887795981.db2.gz JHDPMQTWWTVVOG-UHFFFAOYSA-N -1 3 375.446 3.630 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)c3cc(NC(C)=O)ccc3[O-])oc21 ZINC000055135491 888093188 /nfs/dbraw/zinc/09/31/88/888093188.db2.gz QPHNYWKSZOETRW-LBPRGKRZSA-N -1 3 382.416 3.987 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810073497 888125761 /nfs/dbraw/zinc/12/57/61/888125761.db2.gz YWVCOTDIBDKMNW-GFCCVEGCSA-N -1 3 387.427 3.602 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1ccccc1[O-] ZINC000055373890 888171092 /nfs/dbraw/zinc/17/10/92/888171092.db2.gz XWQCQQLVBOCLJV-UHFFFAOYSA-N -1 3 384.439 3.629 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c(C)c1 ZINC000261458164 888257873 /nfs/dbraw/zinc/25/78/73/888257873.db2.gz KXFUTLGYDJPFGS-UHFFFAOYSA-N -1 3 376.453 3.679 20 0 GHADHM CCc1ccc(CC)c(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810190990 888274635 /nfs/dbraw/zinc/27/46/35/888274635.db2.gz IWDYGLDYIZTJSC-CQSZACIVSA-N -1 3 385.430 3.734 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000763217168 888337541 /nfs/dbraw/zinc/33/75/41/888337541.db2.gz REXNZXMFEZZZCU-LSDHHAIUSA-N -1 3 385.533 3.869 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000763218417 888348360 /nfs/dbraw/zinc/34/83/60/888348360.db2.gz WQBZQKUWSYWDAB-UHFFFAOYSA-N -1 3 379.485 3.953 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)CCCC2)no1 ZINC000154654217 888381150 /nfs/dbraw/zinc/38/11/50/888381150.db2.gz IWOQWMCTGHVEBO-UHFFFAOYSA-N -1 3 391.880 3.932 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000810340818 888441113 /nfs/dbraw/zinc/44/11/13/888441113.db2.gz VDJAUKSEFJMNAT-CYBMUJFWSA-N -1 3 377.210 3.567 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000810340818 888441116 /nfs/dbraw/zinc/44/11/16/888441116.db2.gz VDJAUKSEFJMNAT-CYBMUJFWSA-N -1 3 377.210 3.567 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1N1CCCC1 ZINC000120753708 888582239 /nfs/dbraw/zinc/58/22/39/888582239.db2.gz WPNHPVSULGKKMC-UHFFFAOYSA-N -1 3 388.489 3.557 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC001184533824 913268495 /nfs/dbraw/zinc/26/84/95/913268495.db2.gz YNWAJCHPHCDLOV-ZDUSSCGKSA-N -1 3 382.309 3.533 20 0 GHADHM COc1cc(C(=O)[N-]c2c3ccccc3oc2C(N)=O)sc1Br ZINC000120854124 888690290 /nfs/dbraw/zinc/69/02/90/888690290.db2.gz LNWHUMZXROEIIE-UHFFFAOYSA-N -1 3 395.234 3.617 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000120907559 888736407 /nfs/dbraw/zinc/73/64/07/888736407.db2.gz GKXWQVJEODYIIB-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000796103941 913279570 /nfs/dbraw/zinc/27/95/70/913279570.db2.gz MIFSGGCUCOMTHX-ZBEGNZNMSA-N -1 3 391.386 3.553 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3COc4ccccc4C3)cc2)cc(=O)[n-]1 ZINC000916197666 888816498 /nfs/dbraw/zinc/81/64/98/888816498.db2.gz NOJHHMJYULTBOE-OAHLLOKOSA-N -1 3 390.443 3.530 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@H](O)c1ccc(C)cc1 ZINC000796107343 913282829 /nfs/dbraw/zinc/28/28/29/913282829.db2.gz XRMDNSJXHJNWTH-ACJLOTCBSA-N -1 3 377.437 3.589 20 0 GHADHM O=c1[n-]c(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)nc2c1COCC2 ZINC000866628558 888978569 /nfs/dbraw/zinc/97/85/69/888978569.db2.gz PCKFFPLYUZFEIR-NSHDSACASA-N -1 3 386.304 3.790 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nc2c1COCC2 ZINC000866628563 888978948 /nfs/dbraw/zinc/97/89/48/888978948.db2.gz PELOCVHXAYECON-FQEVSTJZSA-N -1 3 397.425 3.607 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cc2cccc(F)c2)c2ccccc2F)nc2c1COCC2 ZINC000866630882 888984141 /nfs/dbraw/zinc/98/41/41/888984141.db2.gz YUCCVWWEQFBUGI-FQEVSTJZSA-N -1 3 397.425 3.607 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810899590 889007781 /nfs/dbraw/zinc/00/77/81/889007781.db2.gz CTTGMGSIPBSZTP-SFHVURJKSA-N -1 3 398.469 3.735 20 0 GHADHM CCC(C)(C)C(=O)COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000811082599 889150742 /nfs/dbraw/zinc/15/07/42/889150742.db2.gz BDTMWNBTLZXBNR-IBGZPJMESA-N -1 3 397.471 3.802 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000537924026 889250063 /nfs/dbraw/zinc/25/00/63/889250063.db2.gz JVLGSRRNNMOFJX-UHFFFAOYSA-N -1 3 380.206 3.954 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2c(C)cccc2C)cc1Cl ZINC000123546303 889326245 /nfs/dbraw/zinc/32/62/45/889326245.db2.gz MTSFQLKIAZWAFF-UHFFFAOYSA-N -1 3 398.887 3.575 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124128575 889516620 /nfs/dbraw/zinc/51/66/20/889516620.db2.gz UKVBBNDOTYXARM-IBGZPJMESA-N -1 3 391.450 3.765 20 0 GHADHM COC(=O)c1cccn2cc(COC(=O)c3cc4cc(Cl)sc4[n-]3)nc12 ZINC000811395058 889535681 /nfs/dbraw/zinc/53/56/81/889535681.db2.gz SWMRBAWKDJGQGB-UHFFFAOYSA-N -1 3 389.820 3.674 20 0 GHADHM COC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395786 889537903 /nfs/dbraw/zinc/53/79/03/889537903.db2.gz JBXIJXMXUNZVGZ-ZDUSSCGKSA-N -1 3 381.812 3.963 20 0 GHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000533090580 889757529 /nfs/dbraw/zinc/75/75/29/889757529.db2.gz IIHOQDPALJMPHN-UHFFFAOYSA-N -1 3 397.452 3.706 20 0 GHADHM CCc1cccc(CC)c1NC(=S)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000811721278 889919423 /nfs/dbraw/zinc/91/94/23/889919423.db2.gz WDSGCSQQZMLEAI-UHFFFAOYSA-N -1 3 384.505 3.516 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000811831827 890017922 /nfs/dbraw/zinc/01/79/22/890017922.db2.gz GQUHMGWKPNBJJM-UHFFFAOYSA-N -1 3 398.822 3.874 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000125516295 890022216 /nfs/dbraw/zinc/02/22/16/890022216.db2.gz WQDYXQGNVGGNAK-UHFFFAOYSA-N -1 3 399.414 3.763 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000125516295 890022234 /nfs/dbraw/zinc/02/22/34/890022234.db2.gz WQDYXQGNVGGNAK-UHFFFAOYSA-N -1 3 399.414 3.763 20 0 GHADHM Cc1sc2nc(C)nc(N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)c2c1C ZINC000811856161 890050687 /nfs/dbraw/zinc/05/06/87/890050687.db2.gz LGNMRVLKTVGGKT-LBPRGKRZSA-N -1 3 386.443 3.511 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000828009474 890059155 /nfs/dbraw/zinc/05/91/55/890059155.db2.gz YCHWCKYDDAWLTK-NRFANRHFSA-N -1 3 392.496 3.501 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1)C(F)(F)F ZINC000811910054 890077190 /nfs/dbraw/zinc/07/71/90/890077190.db2.gz SMGRGGLXTQYQDN-HNNXBMFYSA-N -1 3 397.441 3.554 20 0 GHADHM CN(CCOCc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126126562 890377194 /nfs/dbraw/zinc/37/71/94/890377194.db2.gz UNSITCGZUWEQHS-UHFFFAOYSA-N -1 3 393.281 3.513 20 0 GHADHM CC1(C)C[C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c2ccccc21 ZINC000812175035 890384474 /nfs/dbraw/zinc/38/44/74/890384474.db2.gz IMBOAYQEVFMMHL-CJNGLKHVSA-N -1 3 397.441 3.509 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126291917 890459299 /nfs/dbraw/zinc/45/92/99/890459299.db2.gz BVJFSWXAUIWSAE-QWHCGFSZSA-N -1 3 387.343 3.970 20 0 GHADHM CC(C)C[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274958 890493398 /nfs/dbraw/zinc/49/33/98/890493398.db2.gz MSPSACSPBBLIHI-RDJZCZTQSA-N -1 3 384.442 3.733 20 0 GHADHM CC1(C)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@H]2CCC[C@@H]21 ZINC000455245317 890588084 /nfs/dbraw/zinc/58/80/84/890588084.db2.gz LSQYBGYELVWPSI-KBPBESRZSA-N -1 3 377.286 3.561 20 0 GHADHM CCO[C@H](C)c1nc(CC(=O)Nc2cc(Br)ccc2[O-])cs1 ZINC000126688320 890649857 /nfs/dbraw/zinc/64/98/57/890649857.db2.gz INMVGXANFOTYLQ-SECBINFHSA-N -1 3 385.283 3.890 20 0 GHADHM Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[N-]OCCCC(F)(F)F)C2)c1 ZINC000871211698 890697293 /nfs/dbraw/zinc/69/72/93/890697293.db2.gz PVQVYECFADQJSU-AWEZNQCLSA-N -1 3 387.402 3.629 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)c1F ZINC000812522525 890714272 /nfs/dbraw/zinc/71/42/72/890714272.db2.gz AYHAOLNCQGANNH-CQSZACIVSA-N -1 3 387.448 3.533 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314567 890746635 /nfs/dbraw/zinc/74/66/35/890746635.db2.gz ONBYGMNLTOGIIF-CABCVRRESA-N -1 3 398.425 3.535 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2OC(F)(F)F)c1cccnc1Cl ZINC001184898959 913491558 /nfs/dbraw/zinc/49/15/58/913491558.db2.gz YUWGKWLRZXVISK-LLVKDONJSA-N -1 3 392.786 3.599 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@](C)(C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000871750960 891000303 /nfs/dbraw/zinc/00/03/03/891000303.db2.gz CKHBZZZZGLOBMF-KRWDZBQOSA-N -1 3 380.370 3.964 20 0 GHADHM CC(C)OCCO[N-]C(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000812808256 891000867 /nfs/dbraw/zinc/00/08/67/891000867.db2.gz DKZYUIIDYUHTGA-UHFFFAOYSA-N -1 3 377.868 3.934 20 0 GHADHM COc1ccc(CCC(=O)[N-]OCc2ccc(SC(=O)N(C)C)cc2)cc1 ZINC000871797967 891017635 /nfs/dbraw/zinc/01/76/35/891017635.db2.gz LGXPYMRVLJHSND-UHFFFAOYSA-N -1 3 388.489 3.650 20 0 GHADHM O=C([O-])CCCCCCCNCc1cccc(F)c1I ZINC000871877880 891069019 /nfs/dbraw/zinc/06/90/19/891069019.db2.gz XYTPTBFVTJDYPP-UHFFFAOYSA-N -1 3 393.240 3.945 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1)c1cccnc1Cl ZINC001184909139 913529150 /nfs/dbraw/zinc/52/91/50/913529150.db2.gz FMZGOEBBDNREIS-MRXNPFEDSA-N -1 3 380.897 3.571 20 0 GHADHM CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138870 891205649 /nfs/dbraw/zinc/20/56/49/891205649.db2.gz ZCEBPQBDBBEGDU-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000825609518 891269454 /nfs/dbraw/zinc/26/94/54/891269454.db2.gz OJXUHESEURWZGX-CQSZACIVSA-N -1 3 384.823 3.554 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000825609518 891269467 /nfs/dbraw/zinc/26/94/67/891269467.db2.gz OJXUHESEURWZGX-CQSZACIVSA-N -1 3 384.823 3.554 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cnc(Br)c(Cl)c1 ZINC001185097250 913635150 /nfs/dbraw/zinc/63/51/50/913635150.db2.gz ZEFLDVLAFGMNPL-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM COc1cc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OCCC(C)C ZINC000917605039 892275060 /nfs/dbraw/zinc/27/50/60/892275060.db2.gz YNTLHRSVZIJWQW-RGEXLXHISA-N -1 3 394.471 3.521 20 0 GHADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000666824895 892313111 /nfs/dbraw/zinc/31/31/11/892313111.db2.gz HAIKSJQACONKJJ-UHFFFAOYSA-N -1 3 378.432 3.537 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)[nH][n-]1 ZINC000497732463 892318874 /nfs/dbraw/zinc/31/88/74/892318874.db2.gz LPMPPJCWBWTTPA-UHFFFAOYSA-N -1 3 393.462 3.924 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030120702 892335154 /nfs/dbraw/zinc/33/51/54/892335154.db2.gz SHFVJOKGLBBPDT-CQSZACIVSA-N -1 3 392.496 3.736 20 0 GHADHM COc1ccc(-n2c(CN3C[C@@H](C)C[C@H](C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000263345406 892532676 /nfs/dbraw/zinc/53/26/76/892532676.db2.gz OMNHVFOWDNOESM-HOTGVXAUSA-N -1 3 379.460 3.577 20 0 GHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000263400696 892550558 /nfs/dbraw/zinc/55/05/58/892550558.db2.gz ZYWOXYHQRGGOPC-AAEUAGOBSA-N -1 3 379.254 3.647 20 0 GHADHM CCc1ccsc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681860 892663905 /nfs/dbraw/zinc/66/39/05/892663905.db2.gz IOWZQHJVXLLISZ-UHFFFAOYSA-N -1 3 382.205 3.506 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)cc1 ZINC000497904394 892699756 /nfs/dbraw/zinc/69/97/56/892699756.db2.gz KVSMEJOHFJTJJQ-UHFFFAOYSA-N -1 3 398.488 3.826 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)c(=O)[n-]1 ZINC000068807449 892787148 /nfs/dbraw/zinc/78/71/48/892787148.db2.gz PPHMJJKGKUSOQL-IFXJQAMLSA-N -1 3 383.492 3.663 20 0 GHADHM O=C1[C@@H](NCc2cccc([O-])c2Cl)CCN1c1cccc(Br)c1 ZINC000645177530 913729957 /nfs/dbraw/zinc/72/99/57/913729957.db2.gz OQSRBCFCMKUBEA-AWEZNQCLSA-N -1 3 395.684 3.703 20 0 GHADHM O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000021730057 893242144 /nfs/dbraw/zinc/24/21/44/893242144.db2.gz FXPOWXLIINRNAT-UHFFFAOYSA-N -1 3 381.215 3.555 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC([C@@H](O)C(F)(F)F)CC2)c1C ZINC000563205147 893477497 /nfs/dbraw/zinc/47/74/97/893477497.db2.gz KTGPCTOSFNXKJQ-QGZVFWFLSA-N -1 3 382.382 3.689 20 0 GHADHM O=c1cc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC000459436204 893494351 /nfs/dbraw/zinc/49/43/51/893494351.db2.gz FMOHBMIVGMIMBN-AWEZNQCLSA-N -1 3 387.789 3.555 20 0 GHADHM CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000825953437 893558554 /nfs/dbraw/zinc/55/85/54/893558554.db2.gz AXJQCTDHWYQMHC-HXUWFJFHSA-N -1 3 382.476 3.520 20 0 GHADHM CCc1cccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c1[O-] ZINC000536721459 893605609 /nfs/dbraw/zinc/60/56/09/893605609.db2.gz KPGLSOCSPAEVJI-INIZCTEOSA-N -1 3 399.491 3.821 20 0 GHADHM Cc1cc(C)c(NC(=O)CNCc2cccc([O-])c2Br)c(C)c1 ZINC000459470484 893607132 /nfs/dbraw/zinc/60/71/32/893607132.db2.gz SFLMTEBAZAALIT-UHFFFAOYSA-N -1 3 377.282 3.808 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(NC(=O)C(C)C)cc3)nc21 ZINC001134937032 893643858 /nfs/dbraw/zinc/64/38/58/893643858.db2.gz JUGNFIVEKXVSSN-UHFFFAOYSA-N -1 3 394.431 3.586 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000825981281 893707102 /nfs/dbraw/zinc/70/71/02/893707102.db2.gz REDSCDZHLQHAMW-SFHVURJKSA-N -1 3 388.439 3.722 20 0 GHADHM O=C([N-]CC1CN(Cc2ccc(-c3nc4ccccc4s3)o2)C1)C(F)(F)F ZINC000877778398 893808526 /nfs/dbraw/zinc/80/85/26/893808526.db2.gz OHDQPPNYDNIQEC-UHFFFAOYSA-N -1 3 395.406 3.667 20 0 GHADHM O=C(OCC1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000918507496 893851677 /nfs/dbraw/zinc/85/16/77/893851677.db2.gz NBKNHUFROQWIMU-UHFFFAOYSA-N -1 3 377.437 3.974 20 0 GHADHM COc1ccccc1CN(Cc1nnc(-c2ccccc2[O-])o1)C[C@H]1CCCO1 ZINC000877959877 893915442 /nfs/dbraw/zinc/91/54/42/893915442.db2.gz UASHAWQFJVEQFK-QGZVFWFLSA-N -1 3 395.459 3.632 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000536900710 894003127 /nfs/dbraw/zinc/00/31/27/894003127.db2.gz MFPKANJMJONGSW-AWEZNQCLSA-N -1 3 396.242 3.938 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000536904735 894077263 /nfs/dbraw/zinc/07/72/63/894077263.db2.gz LBDXBDJOZAFFRY-INIZCTEOSA-N -1 3 386.459 3.648 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000536904735 894077284 /nfs/dbraw/zinc/07/72/84/894077284.db2.gz LBDXBDJOZAFFRY-INIZCTEOSA-N -1 3 386.459 3.648 20 0 GHADHM O=C(C[C@H]1CC(=O)Nc2ccccc21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000935019231 894123603 /nfs/dbraw/zinc/12/36/03/894123603.db2.gz UMMKROOLGLTTRM-CYBMUJFWSA-N -1 3 378.350 3.769 20 0 GHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000563737880 894128151 /nfs/dbraw/zinc/12/81/51/894128151.db2.gz GZVGYNQNBHCZGL-QMMMGPOBSA-N -1 3 397.216 3.617 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cncn1-c1ccc(F)cc1 ZINC001138016981 894166418 /nfs/dbraw/zinc/16/64/18/894166418.db2.gz YSENOGBYACPCDN-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc4c(c3)CCCO4)c2)n1 ZINC000563812004 894217632 /nfs/dbraw/zinc/21/76/32/894217632.db2.gz QMBKBQXJYHUUBW-UHFFFAOYSA-N -1 3 389.455 3.918 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2cccs2)n1 ZINC000563877404 894287779 /nfs/dbraw/zinc/28/77/79/894287779.db2.gz AKMDWIYWNGHWBH-UHFFFAOYSA-N -1 3 385.449 3.972 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)c[n-]1 ZINC000815950494 894353915 /nfs/dbraw/zinc/35/39/15/894353915.db2.gz YZVDYBNKXCXSIY-CYBMUJFWSA-N -1 3 375.730 3.785 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000878526772 894360287 /nfs/dbraw/zinc/36/02/87/894360287.db2.gz PZFLEZGJZUSPJX-INIZCTEOSA-N -1 3 394.475 3.990 20 0 GHADHM O=c1[n-]c(CN2CCC(c3cccc(Cl)c3Cl)CC2)nc2c1COCC2 ZINC000878636920 894473572 /nfs/dbraw/zinc/47/35/72/894473572.db2.gz OVLTZZVPSSQNHL-UHFFFAOYSA-N -1 3 394.302 3.941 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC2(F)F)cc1 ZINC000460007172 894545587 /nfs/dbraw/zinc/54/55/87/894545587.db2.gz HKIFBQXAZBNYSB-HNNXBMFYSA-N -1 3 380.416 3.698 20 0 GHADHM COCCCC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001185459179 913883447 /nfs/dbraw/zinc/88/34/47/913883447.db2.gz QRPJSYLPVLZCCX-UHFFFAOYSA-N -1 3 394.440 3.534 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)o1 ZINC000878768500 894591077 /nfs/dbraw/zinc/59/10/77/894591077.db2.gz XRWVPGYWVVMOFD-HXUWFJFHSA-N -1 3 377.444 3.602 20 0 GHADHM COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(OC)c3[O-])cc2)cc1 ZINC001135421675 894592757 /nfs/dbraw/zinc/59/27/57/894592757.db2.gz QSYLQMJGTAGYFS-UHFFFAOYSA-N -1 3 392.411 3.914 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)o1 ZINC000878921560 894723040 /nfs/dbraw/zinc/72/30/40/894723040.db2.gz UKIJSPIKVGBNHV-GFCCVEGCSA-N -1 3 391.353 3.588 20 0 GHADHM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878949547 894745030 /nfs/dbraw/zinc/74/50/30/894745030.db2.gz GPUDAWCFBNXTIJ-GOSISDBHSA-N -1 3 383.423 3.933 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(Br)c1[O-])c1ccco1 ZINC000564245000 894763703 /nfs/dbraw/zinc/76/37/03/894763703.db2.gz QQQGMQOWXLGYDW-RISCZKNCSA-N -1 3 381.270 3.607 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1[O-] ZINC000816620776 894980789 /nfs/dbraw/zinc/98/07/89/894980789.db2.gz KVHSORXAEXXDKK-UHFFFAOYSA-N -1 3 396.443 3.582 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000816656875 895000927 /nfs/dbraw/zinc/00/09/27/895000927.db2.gz FVKRWUYLMYIGNC-BFQNTYOBSA-N -1 3 382.888 3.809 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1OC ZINC000666865520 895074414 /nfs/dbraw/zinc/07/44/14/895074414.db2.gz RMGDTWJKNNCVGZ-UHFFFAOYSA-N -1 3 380.510 3.612 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000816796081 895082953 /nfs/dbraw/zinc/08/29/53/895082953.db2.gz VUDPIDSSGSUABW-PKTZIBPZSA-N -1 3 384.435 3.733 20 0 GHADHM COC(=O)[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000826118231 895186862 /nfs/dbraw/zinc/18/68/62/895186862.db2.gz YLJGEEWRFFSWQU-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000826118231 895186867 /nfs/dbraw/zinc/18/68/67/895186867.db2.gz YLJGEEWRFFSWQU-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000816943638 895227481 /nfs/dbraw/zinc/22/74/81/895227481.db2.gz GBHVICSPGSSMMC-RDJZCZTQSA-N -1 3 378.222 3.598 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000817000064 895253195 /nfs/dbraw/zinc/25/31/95/895253195.db2.gz IMFJNHSEEHZLAF-WMZOPIPTSA-N -1 3 388.508 3.987 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC(C2CCOCC2)CC1 ZINC000565105526 895390082 /nfs/dbraw/zinc/39/00/82/895390082.db2.gz HRRKZXLUCKLYCU-KRWDZBQOSA-N -1 3 382.298 3.713 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565185594 895448235 /nfs/dbraw/zinc/44/82/35/895448235.db2.gz JPXYETIKCHAAQO-UHFFFAOYSA-N -1 3 380.448 3.831 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000778492641 895802272 /nfs/dbraw/zinc/80/22/72/895802272.db2.gz QMWMYRYPSYGPFZ-CQSZACIVSA-N -1 3 381.398 3.908 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826184161 895858921 /nfs/dbraw/zinc/85/89/21/895858921.db2.gz MXGCDVKHFDXAJU-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826184161 895858930 /nfs/dbraw/zinc/85/89/30/895858930.db2.gz MXGCDVKHFDXAJU-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1nc(C)sc1-c1ccccc1 ZINC000826186264 895932093 /nfs/dbraw/zinc/93/20/93/895932093.db2.gz LIMDFGPMPHNGLI-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc(C)sc1-c1ccccc1 ZINC000826186264 895932100 /nfs/dbraw/zinc/93/21/00/895932100.db2.gz LIMDFGPMPHNGLI-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM CC[C@@H](O)c1cn(Cc2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)nn1 ZINC000881023973 896074560 /nfs/dbraw/zinc/07/45/60/896074560.db2.gz UCHGEBBZDWHLCP-OAHLLOKOSA-N -1 3 395.488 3.764 20 0 GHADHM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000566078754 896094082 /nfs/dbraw/zinc/09/40/82/896094082.db2.gz VGTVCQBXIUTHQE-HXUWFJFHSA-N -1 3 393.443 3.809 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(F)c1Br)c1ccc(Cl)nc1 ZINC001185679606 914038418 /nfs/dbraw/zinc/03/84/18/914038418.db2.gz RZBDNKFPHMBFDY-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1nnc(Sc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c(C)c2)s1 ZINC000566439021 896312869 /nfs/dbraw/zinc/31/28/69/896312869.db2.gz WSEMFUMHTKVTBE-UHFFFAOYSA-N -1 3 399.501 3.931 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)c2c[nH]cc2C2CC2)c2ccccc21)C(F)(F)F ZINC000881434710 896330330 /nfs/dbraw/zinc/33/03/30/896330330.db2.gz XKKLTYWQDVUMMZ-ZDUSSCGKSA-N -1 3 391.393 3.705 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000826218583 896396354 /nfs/dbraw/zinc/39/63/54/896396354.db2.gz GUHIDAOOHATTHV-YCRPNKLZSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000826218583 896396372 /nfs/dbraw/zinc/39/63/72/896396372.db2.gz GUHIDAOOHATTHV-YCRPNKLZSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826220381 896397660 /nfs/dbraw/zinc/39/76/60/896397660.db2.gz LZMANVUAAOOIEE-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826220381 896397676 /nfs/dbraw/zinc/39/76/76/896397676.db2.gz LZMANVUAAOOIEE-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001185771298 914073894 /nfs/dbraw/zinc/07/38/94/914073894.db2.gz OWVQTJFRIRCPPT-SNVBAGLBSA-N -1 3 395.349 3.773 20 0 GHADHM COc1ccccc1COC1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000566802494 896584298 /nfs/dbraw/zinc/58/42/98/896584298.db2.gz LNSOYYACLQRVGJ-UHFFFAOYSA-N -1 3 375.490 3.945 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(N3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826238750 896592219 /nfs/dbraw/zinc/59/22/19/896592219.db2.gz OLOKEYFNQRRGPB-ZDUSSCGKSA-N -1 3 383.887 3.997 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(N3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826238750 896592231 /nfs/dbraw/zinc/59/22/31/896592231.db2.gz OLOKEYFNQRRGPB-ZDUSSCGKSA-N -1 3 383.887 3.997 20 0 GHADHM Cc1c(Cl)cnc(NCCSCc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000826240460 896594556 /nfs/dbraw/zinc/59/45/56/896594556.db2.gz UJDZWOCQCNTCAJ-UHFFFAOYSA-N -1 3 396.307 3.617 20 0 GHADHM Cc1c(Cl)cnc(NCCSCc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000826240460 896594566 /nfs/dbraw/zinc/59/45/66/896594566.db2.gz UJDZWOCQCNTCAJ-UHFFFAOYSA-N -1 3 396.307 3.617 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)CSC(C)C)CC1 ZINC000826254758 896740198 /nfs/dbraw/zinc/74/01/98/896740198.db2.gz ZPMTXFWSRAQUNE-UHFFFAOYSA-N -1 3 389.525 3.583 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)Cc2cccs2)CC1 ZINC000826254273 896741775 /nfs/dbraw/zinc/74/17/75/896741775.db2.gz CJHLBLVUGBDZEN-UHFFFAOYSA-N -1 3 397.504 3.746 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[N-]OC1CCOCC1)CC1CCCCC1 ZINC000819501581 896770020 /nfs/dbraw/zinc/77/00/20/896770020.db2.gz HHULDIMVYLXTRS-KRWDZBQOSA-N -1 3 398.544 3.857 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(S[C@H](C)[C@@H](C)O)n2)o1 ZINC000826272982 896834328 /nfs/dbraw/zinc/83/43/28/896834328.db2.gz KCHUTCKJMPRPHL-RKDXNWHRSA-N -1 3 399.398 3.710 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826273732 896861708 /nfs/dbraw/zinc/86/17/08/896861708.db2.gz REDSINSVLVSBSO-GFCCVEGCSA-N -1 3 394.460 3.853 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826273732 896861728 /nfs/dbraw/zinc/86/17/28/896861728.db2.gz REDSINSVLVSBSO-GFCCVEGCSA-N -1 3 394.460 3.853 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567168912 896932298 /nfs/dbraw/zinc/93/22/98/896932298.db2.gz PWLJACBPVLPJMU-ZVDOUQERSA-N -1 3 392.499 3.839 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(CC)CC ZINC001137183433 897245674 /nfs/dbraw/zinc/24/56/74/897245674.db2.gz ITXLIQRDPVSYLC-IAGOWNOFSA-N -1 3 392.446 3.862 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000567595406 897280493 /nfs/dbraw/zinc/28/04/93/897280493.db2.gz GONUCHLITNCYOQ-LLGFUMIMSA-N -1 3 380.488 3.515 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826307823 897382293 /nfs/dbraw/zinc/38/22/93/897382293.db2.gz XNKNJTKUFAGFJR-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826307823 897382302 /nfs/dbraw/zinc/38/23/02/897382302.db2.gz XNKNJTKUFAGFJR-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccccc1CNc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826307693 897387375 /nfs/dbraw/zinc/38/73/75/897387375.db2.gz SRDOIYLQXJVXTD-UHFFFAOYSA-N -1 3 398.470 3.968 20 0 GHADHM Cc1ccccc1CNc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826307693 897387390 /nfs/dbraw/zinc/38/73/90/897387390.db2.gz SRDOIYLQXJVXTD-UHFFFAOYSA-N -1 3 398.470 3.968 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820562979 897395234 /nfs/dbraw/zinc/39/52/34/897395234.db2.gz KTLOAMJEUSMJIU-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820562979 897395247 /nfs/dbraw/zinc/39/52/47/897395247.db2.gz KTLOAMJEUSMJIU-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccc(O)cc1[O-] ZINC001136363812 897457784 /nfs/dbraw/zinc/45/77/84/897457784.db2.gz JHQTYOZSRQSDQI-UHFFFAOYSA-N -1 3 376.250 3.712 20 0 GHADHM Cc1cncc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826319012 897537702 /nfs/dbraw/zinc/53/77/02/897537702.db2.gz KTAFIZDSGSUUIX-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cncc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826319012 897537715 /nfs/dbraw/zinc/53/77/15/897537715.db2.gz KTAFIZDSGSUUIX-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826322755 897608219 /nfs/dbraw/zinc/60/82/19/897608219.db2.gz ALBYWCNMRPCOEW-NSHDSACASA-N -1 3 380.433 3.545 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826322755 897608227 /nfs/dbraw/zinc/60/82/27/897608227.db2.gz ALBYWCNMRPCOEW-NSHDSACASA-N -1 3 380.433 3.545 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826323214 897608416 /nfs/dbraw/zinc/60/84/16/897608416.db2.gz VGKASIAYCANLBL-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826323214 897608422 /nfs/dbraw/zinc/60/84/22/897608422.db2.gz VGKASIAYCANLBL-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000821104577 897746867 /nfs/dbraw/zinc/74/68/67/897746867.db2.gz JBXRLCCITOYJNA-IAGOWNOFSA-N -1 3 392.507 3.981 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000821104577 897746879 /nfs/dbraw/zinc/74/68/79/897746879.db2.gz JBXRLCCITOYJNA-IAGOWNOFSA-N -1 3 392.507 3.981 20 0 GHADHM CCOC(=O)CN(CC(C)C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001136430127 897785887 /nfs/dbraw/zinc/78/58/87/897785887.db2.gz DFCZTTNSFUSJRW-UHFFFAOYSA-N -1 3 383.488 3.839 20 0 GHADHM Cc1c([O-])ccc2c(CN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc(=O)oc12 ZINC000805766779 897893318 /nfs/dbraw/zinc/89/33/18/897893318.db2.gz AIHBYKJFLYQDNJ-DOTOQJQBSA-N -1 3 397.496 3.808 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccc(Cl)nn1 ZINC001185930146 914208835 /nfs/dbraw/zinc/20/88/35/914208835.db2.gz PWWVDJXECIYQIQ-UHFFFAOYSA-N -1 3 390.871 3.545 20 0 GHADHM Clc1cccc(SCc2noc(-c3cccs3)n2)c1-c1nnn[n-]1 ZINC000826353290 897991236 /nfs/dbraw/zinc/99/12/36/897991236.db2.gz JHYLELRILSKEMN-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cccc(SCc2noc(-c3cccs3)n2)c1-c1nn[n-]n1 ZINC000826353290 897991252 /nfs/dbraw/zinc/99/12/52/897991252.db2.gz JHYLELRILSKEMN-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1nc[n-]c1C(F)(F)F ZINC000822163036 898239953 /nfs/dbraw/zinc/23/99/53/898239953.db2.gz ANBAJGXEIAWPLF-UHFFFAOYSA-N -1 3 375.354 3.881 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C1(CCCOCc2ccccc2)CC1 ZINC000822348912 898342124 /nfs/dbraw/zinc/34/21/24/898342124.db2.gz PKPVPGLSEZSHAC-UHFFFAOYSA-N -1 3 395.438 3.722 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C1(CCCOCc2ccccc2)CC1 ZINC000822348912 898342137 /nfs/dbraw/zinc/34/21/37/898342137.db2.gz PKPVPGLSEZSHAC-UHFFFAOYSA-N -1 3 395.438 3.722 20 0 GHADHM Cc1sc(NC(=O)c2cncc(-c3ccccc3)c2)c(-c2nnn[n-]2)c1C ZINC000822563748 898480162 /nfs/dbraw/zinc/48/01/62/898480162.db2.gz NEXMGRDLPHWRAT-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1sc(NC(=O)c2cncc(-c3ccccc3)c2)c(-c2nn[n-]n2)c1C ZINC000822563748 898480168 /nfs/dbraw/zinc/48/01/68/898480168.db2.gz NEXMGRDLPHWRAT-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000569274571 898495483 /nfs/dbraw/zinc/49/54/83/898495483.db2.gz LJBLRFAWGAITCE-VXGBXAGGSA-N -1 3 399.406 3.596 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC001273513725 914258851 /nfs/dbraw/zinc/25/88/51/914258851.db2.gz JBSDSEVDQRDFSA-UHFFFAOYSA-N -1 3 399.259 3.684 20 0 GHADHM O=C(Nc1ccccc1COCc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823372457 898990900 /nfs/dbraw/zinc/99/09/00/898990900.db2.gz DZKPGYKJSIIEDE-UHFFFAOYSA-N -1 3 391.456 3.897 20 0 GHADHM O=C(Nc1ccccc1COCc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823372457 898990912 /nfs/dbraw/zinc/99/09/12/898990912.db2.gz DZKPGYKJSIIEDE-UHFFFAOYSA-N -1 3 391.456 3.897 20 0 GHADHM CSc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c(F)c1 ZINC001186114238 914311824 /nfs/dbraw/zinc/31/18/24/914311824.db2.gz XFZJXSUORONKIF-UHFFFAOYSA-N -1 3 388.873 3.960 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823557975 899111314 /nfs/dbraw/zinc/11/13/14/899111314.db2.gz XMQLJHQAULBDCQ-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)s1 ZINC000570183134 899181029 /nfs/dbraw/zinc/18/10/29/899181029.db2.gz YPJKEYZYEJPNON-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001136767355 899202214 /nfs/dbraw/zinc/20/22/14/899202214.db2.gz PBDXLJPTHLGGPN-UHFFFAOYSA-N -1 3 375.440 3.822 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 ZINC000116159870 899251645 /nfs/dbraw/zinc/25/16/45/899251645.db2.gz YQWQEVXIULFJLA-VWLOTQADSA-N -1 3 395.546 3.933 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1-c1nnn[n-]1 ZINC000824329969 899558513 /nfs/dbraw/zinc/55/85/13/899558513.db2.gz ZKSHMAAXTDYJKP-JLJPHGGASA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000824329969 899558519 /nfs/dbraw/zinc/55/85/19/899558519.db2.gz ZKSHMAAXTDYJKP-JLJPHGGASA-N -1 3 384.484 3.696 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824488356 899632175 /nfs/dbraw/zinc/63/21/75/899632175.db2.gz FONQTPVOZRWSIO-OAGGEKHMSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824488356 899632178 /nfs/dbraw/zinc/63/21/78/899632178.db2.gz FONQTPVOZRWSIO-OAGGEKHMSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@@H](NC(=O)C1CCSCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470329 899649588 /nfs/dbraw/zinc/64/95/88/899649588.db2.gz HLWJGOGGEWHHDR-CQSZACIVSA-N -1 3 393.516 3.854 20 0 GHADHM C[C@@H](NC(=O)C1CCSCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470329 899649595 /nfs/dbraw/zinc/64/95/95/899649595.db2.gz HLWJGOGGEWHHDR-CQSZACIVSA-N -1 3 393.516 3.854 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000824867970 899877032 /nfs/dbraw/zinc/87/70/32/899877032.db2.gz RRQLUVWVNIKKRX-YPMHNXCESA-N -1 3 387.509 3.531 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000824867970 899877034 /nfs/dbraw/zinc/87/70/34/899877034.db2.gz RRQLUVWVNIKKRX-YPMHNXCESA-N -1 3 387.509 3.531 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000824867967 899877343 /nfs/dbraw/zinc/87/73/43/899877343.db2.gz RRQLUVWVNIKKRX-AAEUAGOBSA-N -1 3 387.509 3.531 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000824867967 899877349 /nfs/dbraw/zinc/87/73/49/899877349.db2.gz RRQLUVWVNIKKRX-AAEUAGOBSA-N -1 3 387.509 3.531 20 0 GHADHM O=C(NC1CCC(c2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000333038602 899911876 /nfs/dbraw/zinc/91/18/76/899911876.db2.gz JDHJDMDCXUBJMJ-GRERDSQWSA-N -1 3 392.499 3.839 20 0 GHADHM COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC001186219688 914393697 /nfs/dbraw/zinc/39/36/97/914393697.db2.gz TXYFSOBEQKWURP-GOSISDBHSA-N -1 3 386.467 3.667 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H](NCc1c(F)ccc([O-])c1F)C(F)(F)F ZINC000825275328 900087199 /nfs/dbraw/zinc/08/71/99/900087199.db2.gz HRQWWIXTXWRCJF-GFCCVEGCSA-N -1 3 384.345 3.606 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825333245 900100046 /nfs/dbraw/zinc/10/00/46/900100046.db2.gz TVYXKHVUQADIQM-ZIAGYGMSSA-N -1 3 382.493 3.801 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000134663804 900104900 /nfs/dbraw/zinc/10/49/00/900104900.db2.gz NLRBYGWRAWOXAS-NSHDSACASA-N -1 3 379.309 3.549 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000826420901 900223366 /nfs/dbraw/zinc/22/33/66/900223366.db2.gz IGAWTCIZZDZHHD-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000826420901 900223377 /nfs/dbraw/zinc/22/33/77/900223377.db2.gz IGAWTCIZZDZHHD-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCO1 ZINC000135328449 900225038 /nfs/dbraw/zinc/22/50/38/900225038.db2.gz NWYNELRHTFAHBE-GFCCVEGCSA-N -1 3 384.860 3.505 20 0 GHADHM CC(C)(C)OC(=O)N1[C@H](CCC(=O)Nc2cccc([O-])c2F)COC1(C)C ZINC000843840164 900271044 /nfs/dbraw/zinc/27/10/44/900271044.db2.gz LZRMAKJCVBPVSW-GFCCVEGCSA-N -1 3 382.432 3.622 20 0 GHADHM CC(=O)c1cccc(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000843887234 900290226 /nfs/dbraw/zinc/29/02/26/900290226.db2.gz VKTOIDXVJOYRMA-UHFFFAOYSA-N -1 3 384.432 3.975 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000843982470 900419676 /nfs/dbraw/zinc/41/96/76/900419676.db2.gz LCVHKJCYJZGNMV-HNNXBMFYSA-N -1 3 397.475 3.592 20 0 GHADHM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1nnc2ccccc2c1[O-] ZINC000844008544 900446764 /nfs/dbraw/zinc/44/67/64/900446764.db2.gz GMAPTXOPNMMGPP-KGLIPLIRSA-N -1 3 387.443 3.668 20 0 GHADHM CCCCc1ncc(CN(CCCO)C(C)C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143752555 900483591 /nfs/dbraw/zinc/48/35/91/900483591.db2.gz UVCQBPLNZIIKEA-UHFFFAOYSA-N -1 3 387.524 3.565 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826456027 900641274 /nfs/dbraw/zinc/64/12/74/900641274.db2.gz NFXMXADNWREEDR-CQSZACIVSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826456027 900641278 /nfs/dbraw/zinc/64/12/78/900641278.db2.gz NFXMXADNWREEDR-CQSZACIVSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCCCS1 ZINC000826457033 900648683 /nfs/dbraw/zinc/64/86/83/900648683.db2.gz JMUPWHCOAFMLHX-GOSISDBHSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CCCCS1 ZINC000826457033 900648699 /nfs/dbraw/zinc/64/86/99/900648699.db2.gz JMUPWHCOAFMLHX-GOSISDBHSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@H]1CCCCS1 ZINC000826460476 900672609 /nfs/dbraw/zinc/67/26/09/900672609.db2.gz FDOOUEIOAXQATF-CYBMUJFWSA-N -1 3 377.539 3.811 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@H]1CCCCS1 ZINC000826460476 900672611 /nfs/dbraw/zinc/67/26/11/900672611.db2.gz FDOOUEIOAXQATF-CYBMUJFWSA-N -1 3 377.539 3.811 20 0 GHADHM C[C@H](S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)N(C)C ZINC000056229934 900873572 /nfs/dbraw/zinc/87/35/72/900873572.db2.gz NTSDUYWGAYTDJA-UWVGGRQHSA-N -1 3 377.491 3.516 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@]3(C)C[C@]3(F)Cl)cc2)cc(=O)[n-]1 ZINC000844508287 900912651 /nfs/dbraw/zinc/91/26/51/900912651.db2.gz ACXDXIJTEFIHLG-ZWKOTPCHSA-N -1 3 378.835 3.984 20 0 GHADHM CC(C)(C)[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1O ZINC000574617756 900950013 /nfs/dbraw/zinc/95/00/13/900950013.db2.gz ULMAIKBCMYOAJE-KBPBESRZSA-N -1 3 387.505 3.886 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(Br)c1 ZINC000574722800 900981601 /nfs/dbraw/zinc/98/16/01/900981601.db2.gz RWCGFLKBASCCKE-UHFFFAOYSA-N -1 3 393.209 3.591 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCCC(=O)N3)c2)cc1 ZINC000886486018 901069381 /nfs/dbraw/zinc/06/93/81/901069381.db2.gz SAZHMKJDUITFBE-LJQANCHMSA-N -1 3 388.489 3.617 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H]1CCC(C)C ZINC000068832744 901098670 /nfs/dbraw/zinc/09/86/70/901098670.db2.gz PAANYKMCSTUCIB-XLIONFOSSA-N -1 3 396.535 3.794 20 0 GHADHM O=C(Cc1ccc(Br)c(Br)c1)[N-]OC1CCCC1 ZINC000831701948 901109365 /nfs/dbraw/zinc/10/93/65/901109365.db2.gz IMVRVKKNLLVQCW-UHFFFAOYSA-N -1 3 377.076 3.745 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000575139511 901130337 /nfs/dbraw/zinc/13/03/37/901130337.db2.gz HQCTVKYJOJLHPU-GOSISDBHSA-N -1 3 375.428 3.719 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137229868 901249974 /nfs/dbraw/zinc/24/99/74/901249974.db2.gz BFIHBEWQCIPPJA-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CC(=O)Nc1sc(NCc2c(F)ccc([O-])c2F)nc1-c1ccccc1 ZINC000575845304 901373523 /nfs/dbraw/zinc/37/35/23/901373523.db2.gz DMSRNMOMLLHTIL-UHFFFAOYSA-N -1 3 375.400 3.786 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2csc3ccccc32)c1Br ZINC001186452266 914534618 /nfs/dbraw/zinc/53/46/18/914534618.db2.gz MUMGSIVKWFYPBW-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM COc1cccc(OC)c1OCCCCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194493 901930167 /nfs/dbraw/zinc/93/01/67/901930167.db2.gz ZRWLXQWUMBQSRN-UHFFFAOYSA-N -1 3 395.839 3.661 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(CCc3ccccc3)ccc2O)n1 ZINC001144392928 901960124 /nfs/dbraw/zinc/96/01/24/901960124.db2.gz RTSLPYCDPUZASK-UHFFFAOYSA-N -1 3 391.471 3.647 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccccc1OC1CCCC1 ZINC000576561616 902099012 /nfs/dbraw/zinc/09/90/12/902099012.db2.gz SEAOPUZFDIHKLB-UHFFFAOYSA-N -1 3 388.489 3.561 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126263533 902303558 /nfs/dbraw/zinc/30/35/58/902303558.db2.gz FWBKXOQBXBXHBA-HNNXBMFYSA-N -1 3 378.270 3.842 20 0 GHADHM O=C(Cc1ccccc1O[C@@H]1CCOC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000576911524 902352326 /nfs/dbraw/zinc/35/23/26/902352326.db2.gz UEMBLVNOMADPSP-CQSZACIVSA-N -1 3 381.350 3.760 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@]1(F)Cl ZINC000845979026 902561662 /nfs/dbraw/zinc/56/16/62/902561662.db2.gz GGYKOOIWESFRMU-RYUDHWBXSA-N -1 3 377.762 3.828 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128050673 902598952 /nfs/dbraw/zinc/59/89/52/902598952.db2.gz DCMVVCRRSAQOLU-AWEZNQCLSA-N -1 3 399.516 3.706 20 0 GHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(Cl)ncc2Br)n1 ZINC000290385307 914657139 /nfs/dbraw/zinc/65/71/39/914657139.db2.gz GHOSECWAZWFPGA-UHFFFAOYSA-N -1 3 375.679 3.899 20 0 GHADHM COc1ccccc1OCCN(C)Cc1cc(Br)ccc1C(=O)[O-] ZINC000846240807 902815950 /nfs/dbraw/zinc/81/59/50/902815950.db2.gz ZYBFVRNKQFHELD-UHFFFAOYSA-N -1 3 394.265 3.667 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000846243643 902819206 /nfs/dbraw/zinc/81/92/06/902819206.db2.gz GACPRLSZWJYNDB-CEQQRPIWSA-N -1 3 381.428 3.729 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1ccccc1SCCC(N)=O ZINC000577757696 903160681 /nfs/dbraw/zinc/16/06/81/903160681.db2.gz CCIIWJVQRLDOJA-UHFFFAOYSA-N -1 3 391.493 3.518 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001186639942 914699185 /nfs/dbraw/zinc/69/91/85/914699185.db2.gz CPPCMDIPNAMZPD-UHFFFAOYSA-N -1 3 383.713 3.966 20 0 GHADHM CCOc1cccc(Cl)c1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000846890329 903290748 /nfs/dbraw/zinc/29/07/48/903290748.db2.gz GOUJRLQOPYINEE-UHFFFAOYSA-N -1 3 378.822 3.629 20 0 GHADHM CC(=O)Oc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001186655447 914710361 /nfs/dbraw/zinc/71/03/61/914710361.db2.gz IZVIMRZBHJSIDL-UHFFFAOYSA-N -1 3 397.452 3.992 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC001147217413 903736879 /nfs/dbraw/zinc/73/68/79/903736879.db2.gz IMIKJWQDEZLSAI-CWTRNNRKSA-N -1 3 388.851 3.676 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ncc(-c2ccccc2)o1 ZINC001147442036 903799148 /nfs/dbraw/zinc/79/91/48/903799148.db2.gz WVQLSAYBJRDNCD-LLVKDONJSA-N -1 3 395.365 3.952 20 0 GHADHM COc1ccc2c(c1)N(C(=O)c1ccc(C(=O)OCc3ccccc3)[n-]1)CCC2 ZINC001148812502 904218958 /nfs/dbraw/zinc/21/89/58/904218958.db2.gz PRXWZKWFYVAUTH-UHFFFAOYSA-N -1 3 390.439 3.973 20 0 GHADHM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)nc2F)c1C ZINC001186838288 914815679 /nfs/dbraw/zinc/81/56/79/914815679.db2.gz LSOCYDCCFXGZBL-NSHDSACASA-N -1 3 387.274 3.640 20 0 GHADHM Cc1ccc(-c2csc3ncnc(N4CCc5nc[n-]c(=O)c5C4)c23)cc1 ZINC000579309233 904502022 /nfs/dbraw/zinc/50/20/22/904502022.db2.gz KKLOVTMFASDWCQ-UHFFFAOYSA-N -1 3 375.457 3.725 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC(C4CC4)CC3)cs2)c1 ZINC000646764667 914825711 /nfs/dbraw/zinc/82/57/11/914825711.db2.gz WMKPRDGUQRLWHG-UHFFFAOYSA-N -1 3 399.516 3.601 20 0 GHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)ccc1Cl ZINC000579539577 904683974 /nfs/dbraw/zinc/68/39/74/904683974.db2.gz QKRYOPJQFMHVAL-UHFFFAOYSA-N -1 3 392.908 3.721 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc([C@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000579645644 904767560 /nfs/dbraw/zinc/76/75/60/904767560.db2.gz TYRVLYLTVGTBIB-INIZCTEOSA-N -1 3 385.917 3.730 20 0 GHADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646787675 914850109 /nfs/dbraw/zinc/85/01/09/914850109.db2.gz OXYQIXORAAKXGB-UHFFFAOYSA-N -1 3 378.363 3.525 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c(-c2ccccc2)s1 ZINC001186893051 914857314 /nfs/dbraw/zinc/85/73/14/914857314.db2.gz LFEXXPPFAJDAQW-UHFFFAOYSA-N -1 3 394.468 3.918 20 0 GHADHM O=C([N-][C@@H]1CCOC12CCOCC2)C(F)(F)c1cccc(Cl)c1Cl ZINC000890449273 905058739 /nfs/dbraw/zinc/05/87/39/905058739.db2.gz DQDRICXDCQYXGP-GFCCVEGCSA-N -1 3 380.218 3.540 20 0 GHADHM Cc1ccc(CC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)s1 ZINC001171915231 905145219 /nfs/dbraw/zinc/14/52/19/905145219.db2.gz OYGHXYHGHSAMNL-CYBMUJFWSA-N -1 3 396.434 3.798 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CO[N-]C(=O)Cc2cccc3ccccc32)n1 ZINC000174119276 905205780 /nfs/dbraw/zinc/20/57/80/905205780.db2.gz ATGKZQHJRBPJGR-OAHLLOKOSA-N -1 3 383.448 3.747 20 0 GHADHM O=C([N-]NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccc(Cl)cc1Cl ZINC000190013136 905481495 /nfs/dbraw/zinc/48/14/95/905481495.db2.gz SMRFWJOJIUYUNB-CYBMUJFWSA-N -1 3 379.243 3.580 20 0 GHADHM Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000175400167 905558038 /nfs/dbraw/zinc/55/80/38/905558038.db2.gz CJMUNWZYVJFLDD-UHFFFAOYSA-N -1 3 376.840 3.746 20 0 GHADHM NC(=O)c1ccc(Nc2ccc(Br)cc2OC(F)(F)F)cc1[O-] ZINC001214590230 905734323 /nfs/dbraw/zinc/73/43/23/905734323.db2.gz FMURZEGNZWSAQJ-UHFFFAOYSA-N -1 3 391.143 3.896 20 0 GHADHM O=C([O-])CC1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCCC1 ZINC000901502907 921178319 /nfs/dbraw/zinc/17/83/19/921178319.db2.gz NXJCQBHXSUQVOL-UHFFFAOYSA-N -1 3 383.279 3.841 20 0 GHADHM CC(=O)N1CCN(c2ccc(Nc3cccc([O-])c3Br)cc2)CC1 ZINC001212687033 905896705 /nfs/dbraw/zinc/89/67/05/905896705.db2.gz XTVVYYPMIOVJOH-UHFFFAOYSA-N -1 3 390.281 3.567 20 0 GHADHM CCOc1cc(CN2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)cc(Br)c1OC ZINC000901521787 921197020 /nfs/dbraw/zinc/19/70/20/921197020.db2.gz HDCRXAGGKMBIIJ-FZKQIMNGSA-N -1 3 398.297 3.543 20 0 GHADHM O=C(NCC/C=C\c1ccc(Br)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000628336139 906059700 /nfs/dbraw/zinc/05/97/00/906059700.db2.gz AVWDKDUXCRQSDG-IWQZZHSRSA-N -1 3 388.265 3.655 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H](C)C1(F)F ZINC000628392381 906088522 /nfs/dbraw/zinc/08/85/22/906088522.db2.gz PJKCHHFDIHPJBY-NXEZZACHSA-N -1 3 399.235 3.654 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000628414507 906114989 /nfs/dbraw/zinc/11/49/89/906114989.db2.gz QTVCJCQHKYYIRS-UHFFFAOYSA-N -1 3 385.464 3.623 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)Cc1cccc(Cl)c1F ZINC000190845514 906354084 /nfs/dbraw/zinc/35/40/84/906354084.db2.gz MDUVHPQUTHMCKN-NSHDSACASA-N -1 3 390.842 3.763 20 0 GHADHM C[C@@H]1CC(F)(F)CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000628963222 906394665 /nfs/dbraw/zinc/39/46/65/906394665.db2.gz HVXWPMPGBPMPKR-SECBINFHSA-N -1 3 390.308 3.687 20 0 GHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CC1 ZINC000179482553 906510410 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3 377.847 3.739 20 0 GHADHM CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000629503038 906840273 /nfs/dbraw/zinc/84/02/73/906840273.db2.gz GVZHQNZMLMEGHA-KRWDZBQOSA-N -1 3 386.423 3.563 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC4(CC4)CC3)cs2)c1 ZINC000629643420 906924514 /nfs/dbraw/zinc/92/45/14/906924514.db2.gz AIFWYNIYPZUVSN-UHFFFAOYSA-N -1 3 399.516 3.745 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)c1 ZINC000629755016 907014099 /nfs/dbraw/zinc/01/40/99/907014099.db2.gz STJOHTBDSAYNIL-KRWDZBQOSA-N -1 3 376.403 3.689 20 0 GHADHM CC(=O)N(c1nc(C[N-]c2nnc([C@@H]3CCCO3)o2)cs1)c1ccc(C)cc1 ZINC000181800794 907082008 /nfs/dbraw/zinc/08/20/08/907082008.db2.gz BAWFWLXAFCIQFL-INIZCTEOSA-N -1 3 399.476 3.983 20 0 GHADHM Cc1ccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])cc1C ZINC001174634298 907122047 /nfs/dbraw/zinc/12/20/47/907122047.db2.gz UDHYFIKXVTVBAS-UHFFFAOYSA-N -1 3 384.457 3.873 20 0 GHADHM C[C@H](SCCN1CCOC1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000773409357 907222677 /nfs/dbraw/zinc/22/26/77/907222677.db2.gz PGCXVLOSCRCHFH-JTQLQIEISA-N -1 3 391.474 3.903 20 0 GHADHM CCCCCCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2N)c(F)c1F ZINC001175047017 907354370 /nfs/dbraw/zinc/35/43/70/907354370.db2.gz BEADWAKXPDOUKW-UHFFFAOYSA-N -1 3 399.463 3.889 20 0 GHADHM COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1c(F)cc([O-])cc1F ZINC001175101957 907359149 /nfs/dbraw/zinc/35/91/49/907359149.db2.gz BHEXUUUOWKXNSK-UHFFFAOYSA-N -1 3 375.375 3.579 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C4CCOCC4)cc3)cc2)n1 ZINC000630829413 907453287 /nfs/dbraw/zinc/45/32/87/907453287.db2.gz NKXONVJQPVIEBZ-UHFFFAOYSA-N -1 3 389.455 3.892 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)nc1Cl ZINC000183843970 907465654 /nfs/dbraw/zinc/46/56/54/907465654.db2.gz RGHXXAPQLHLDGA-OLZOCXBDSA-N -1 3 387.288 3.587 20 0 GHADHM CCOC(=O)COc1ccccc1-c1csc([N-]c2cnc(OC)s2)n1 ZINC001175392388 907532670 /nfs/dbraw/zinc/53/26/70/907532670.db2.gz HZNOXTDJLBMKKC-UHFFFAOYSA-N -1 3 391.474 3.961 20 0 GHADHM Brc1ccc(Br)c(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001175427621 907547267 /nfs/dbraw/zinc/54/72/67/907547267.db2.gz OKMFCBTYDDZTMP-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM O=C(NCCc1ccccc1)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428974 907548292 /nfs/dbraw/zinc/54/82/92/907548292.db2.gz DFDPNECYGIFQRF-UHFFFAOYSA-N -1 3 384.443 3.583 20 0 GHADHM O=C([N-]CC[C@H]1CN(CC[C@@H](O)c2ccccc2)c2ccccc21)C(F)(F)F ZINC001175482889 907569744 /nfs/dbraw/zinc/56/97/44/907569744.db2.gz ADNGPBUEWBVWIC-QFBILLFUSA-N -1 3 392.421 3.783 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000901541211 921339114 /nfs/dbraw/zinc/33/91/14/921339114.db2.gz QKKIIQNGUMCASG-MRXNPFEDSA-N -1 3 377.435 3.632 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC001176015216 907882247 /nfs/dbraw/zinc/88/22/47/907882247.db2.gz FBXWGLAYNXSKHF-UHFFFAOYSA-N -1 3 396.365 3.943 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC000631987437 907888904 /nfs/dbraw/zinc/88/89/04/907888904.db2.gz GOEHBODTNVKYLI-NSHDSACASA-N -1 3 399.337 3.902 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)C)CC2)c1 ZINC000186389606 907916509 /nfs/dbraw/zinc/91/65/09/907916509.db2.gz SEPQHIWUHLKLSQ-HNNXBMFYSA-N -1 3 385.464 3.839 20 0 GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000192823925 907935839 /nfs/dbraw/zinc/93/58/39/907935839.db2.gz UGUZKSBPTLRYSI-NSHDSACASA-N -1 3 376.338 3.559 20 0 GHADHM CS(=O)(=O)c1ccc(Nc2cc(Br)cc(F)c2[O-])c(F)c1 ZINC001176281643 908012238 /nfs/dbraw/zinc/01/22/38/908012238.db2.gz ZUKTUAVJGZSRNE-UHFFFAOYSA-N -1 3 378.194 3.580 20 0 GHADHM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000192999985 908048177 /nfs/dbraw/zinc/04/81/77/908048177.db2.gz APFSYLZHGBWVJG-AWEZNQCLSA-N -1 3 392.249 3.846 20 0 GHADHM O=S(=O)(C[C@H]1CCCC(F)(F)C1)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000632540110 908053614 /nfs/dbraw/zinc/05/36/14/908053614.db2.gz WQDDMSZVJUWDDS-HOTGVXAUSA-N -1 3 384.448 3.703 20 0 GHADHM CCOC(=O)C1CCN(Cc2cccc(Nc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC001176716180 908242741 /nfs/dbraw/zinc/24/27/41/908242741.db2.gz ZHSKWMMYNRSRSN-UHFFFAOYSA-N -1 3 382.460 3.904 20 0 GHADHM O=C(NCCC[C@@H]1C=CCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001176910227 908317478 /nfs/dbraw/zinc/31/74/78/908317478.db2.gz KPJJBBMRRYKFBU-GFCCVEGCSA-N -1 3 375.266 3.767 20 0 GHADHM CC(C)n1cc(C(=O)[N-]c2nnc(-c3cccc(C(F)(F)F)c3)s2)nn1 ZINC000633728967 908450732 /nfs/dbraw/zinc/45/07/32/908450732.db2.gz GWWUKTTYXFAYIY-UHFFFAOYSA-N -1 3 382.371 3.649 20 0 GHADHM CC(C)C(=O)[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1 ZINC001177522352 908612705 /nfs/dbraw/zinc/61/27/05/908612705.db2.gz MLADIBPZRWXDCX-QGZVFWFLSA-N -1 3 384.382 3.503 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H]1c1ccccc1 ZINC001177603359 908664088 /nfs/dbraw/zinc/66/40/88/908664088.db2.gz WYUADAPAUZCOLP-FZKQIMNGSA-N -1 3 392.908 3.935 20 0 GHADHM C[C@]1(c2ccc(Cl)cc2)CC(=O)N(c2nc(C(F)(F)F)cs2)[N-]C1=O ZINC000634615865 908782560 /nfs/dbraw/zinc/78/25/60/908782560.db2.gz UJSVDDYTJCFTDR-CQSZACIVSA-N -1 3 389.786 3.541 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccoc2Cl)CC1 ZINC000192434092 908785891 /nfs/dbraw/zinc/78/58/91/908785891.db2.gz FCTUAQQNHBERHA-UHFFFAOYSA-N -1 3 383.231 3.783 20 0 GHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1N1CCCC1 ZINC000193977362 908821620 /nfs/dbraw/zinc/82/16/20/908821620.db2.gz KCIGHHSBJHELDE-HXUWFJFHSA-N -1 3 393.487 3.544 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)C[N-]C(=O)C(F)(F)c1ccccc1 ZINC000194700381 908914419 /nfs/dbraw/zinc/91/44/19/908914419.db2.gz ILOWLSGWSFTCQR-UHFFFAOYSA-N -1 3 397.219 3.604 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000194754841 908920993 /nfs/dbraw/zinc/92/09/93/908920993.db2.gz IUAFBZJZFLWWCI-CYBMUJFWSA-N -1 3 375.202 3.638 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000779926618 909075054 /nfs/dbraw/zinc/07/50/54/909075054.db2.gz PGCLTWDAZIVTOK-PBHICJAKSA-N -1 3 384.860 3.868 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000779926618 909075072 /nfs/dbraw/zinc/07/50/72/909075072.db2.gz PGCLTWDAZIVTOK-PBHICJAKSA-N -1 3 384.860 3.868 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)C2CCCCC2)ccc1F ZINC000773758307 909151868 /nfs/dbraw/zinc/15/18/68/909151868.db2.gz RMMBUYPLABGNON-AWEZNQCLSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)[C@@H]1CCCCN1C ZINC001178697946 909195236 /nfs/dbraw/zinc/19/52/36/909195236.db2.gz REWLUZSRZOXPTQ-ZDUSSCGKSA-N -1 3 398.347 3.730 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000266971523 909354455 /nfs/dbraw/zinc/35/44/55/909354455.db2.gz LXVZYHBAUTUJMT-UHFFFAOYSA-N -1 3 387.461 3.896 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)[n-]n1 ZINC001179082081 909378711 /nfs/dbraw/zinc/37/87/11/909378711.db2.gz IXJCXVOUSBZOFZ-UHFFFAOYSA-N -1 3 391.733 3.779 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)n[n-]1 ZINC001179082081 909378731 /nfs/dbraw/zinc/37/87/31/909378731.db2.gz IXJCXVOUSBZOFZ-UHFFFAOYSA-N -1 3 391.733 3.779 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC001179177676 909414854 /nfs/dbraw/zinc/41/48/54/909414854.db2.gz YJNFHAKITWEQAJ-JTQLQIEISA-N -1 3 395.410 3.675 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)n1 ZINC000636115797 909435151 /nfs/dbraw/zinc/43/51/51/909435151.db2.gz VBNBTTUPXYSURP-SNVBAGLBSA-N -1 3 384.263 3.616 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](n2ccnn2)CC1 ZINC000636189078 909482850 /nfs/dbraw/zinc/48/28/50/909482850.db2.gz IBXQWRLZBVVQDW-MRXNPFEDSA-N -1 3 378.432 3.643 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319495 909539607 /nfs/dbraw/zinc/53/96/07/909539607.db2.gz QCVZROWMSUKVFY-UHFFFAOYSA-N -1 3 375.856 3.577 20 0 GHADHM CC(C)n1cc(Br)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319473 909539827 /nfs/dbraw/zinc/53/98/27/909539827.db2.gz PPSWQCRWBBEWAU-UHFFFAOYSA-N -1 3 393.285 3.525 20 0 GHADHM CC(C)(C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Cl)c1F ZINC000636320147 909540062 /nfs/dbraw/zinc/54/00/62/909540062.db2.gz HHNPJVLGOILBTG-UHFFFAOYSA-N -1 3 377.847 3.836 20 0 GHADHM CCCCCCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCOC2)cc1 ZINC000795335937 909954291 /nfs/dbraw/zinc/95/42/91/909954291.db2.gz YMUTYAISUSWQHO-INIZCTEOSA-N -1 3 383.510 3.592 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NCc3ccc([O-])c(F)c3)cc2C1 ZINC001180326353 910100199 /nfs/dbraw/zinc/10/01/99/910100199.db2.gz KIDRUSDNFADXKQ-HNNXBMFYSA-N -1 3 387.455 3.920 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000299652399 921549491 /nfs/dbraw/zinc/54/94/91/921549491.db2.gz SXWAMKSDJQSCKA-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c1 ZINC001180510576 910189784 /nfs/dbraw/zinc/18/97/84/910189784.db2.gz CWQQSFJIVNLOQE-UHFFFAOYSA-N -1 3 392.459 3.679 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H](C)N3CCc4ccccc43)n[n-]2)cc1 ZINC001180842445 910375031 /nfs/dbraw/zinc/37/50/31/910375031.db2.gz GGOXHPRSMJXYSP-OAHLLOKOSA-N -1 3 393.516 3.795 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3C[C@]3(C)Br)n[n-]2)cc1 ZINC001180844485 910376921 /nfs/dbraw/zinc/37/69/21/910376921.db2.gz UZONENNCASVVPB-NHYWBVRUSA-N -1 3 381.299 3.517 20 0 GHADHM CC1(C)N[C@@H](c2ccc([O-])c(Br)c2)N(CC2CCCCC2)C1=O ZINC000639426955 910430702 /nfs/dbraw/zinc/43/07/02/910430702.db2.gz XSOIMFJDNWMCAV-MRXNPFEDSA-N -1 3 381.314 3.944 20 0 GHADHM O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc(C(F)(F)F)cc1[O-] ZINC001181140470 910567940 /nfs/dbraw/zinc/56/79/40/910567940.db2.gz MOKRRNLDOAXWQX-UHFFFAOYSA-N -1 3 390.243 3.953 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc(F)c(N4CCOC4=O)c3)cc(=O)oc12 ZINC000795477663 910582459 /nfs/dbraw/zinc/58/24/59/910582459.db2.gz XEPRFNAHJLPSAL-UHFFFAOYSA-N -1 3 384.363 3.515 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000270705314 910669403 /nfs/dbraw/zinc/66/94/03/910669403.db2.gz YZHKQQYXWBUCGE-SWLSCSKDSA-N -1 3 385.302 3.548 20 0 GHADHM [O-]c1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1F ZINC001181276966 910677330 /nfs/dbraw/zinc/67/73/30/910677330.db2.gz UDQFOQXNCQYZRC-CYBMUJFWSA-N -1 3 383.236 3.801 20 0 GHADHM COc1cc(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000270839544 910714822 /nfs/dbraw/zinc/71/48/22/910714822.db2.gz UXMXVVIDEBSCOT-IERDGZPVSA-N -1 3 385.460 3.616 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001181394360 910757138 /nfs/dbraw/zinc/75/71/38/910757138.db2.gz HSYWOPJPXRWSTE-UHFFFAOYSA-N -1 3 375.327 3.587 20 0 GHADHM CCCOc1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640291835 910953601 /nfs/dbraw/zinc/95/36/01/910953601.db2.gz DLRKLBMOJBAWHK-UHFFFAOYSA-N -1 3 390.793 3.631 20 0 GHADHM CC(C)(NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1F ZINC000640297907 910958717 /nfs/dbraw/zinc/95/87/17/910958717.db2.gz IXIJOEWPWRYYCS-UHFFFAOYSA-N -1 3 378.757 3.717 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181827231 911027348 /nfs/dbraw/zinc/02/73/48/911027348.db2.gz MVFUNFNEINPISP-NRFANRHFSA-N -1 3 383.455 3.509 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181827231 911027362 /nfs/dbraw/zinc/02/73/62/911027362.db2.gz MVFUNFNEINPISP-NRFANRHFSA-N -1 3 383.455 3.509 20 0 GHADHM Cc1ccccc1-n1cc(CN[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901847047 921635334 /nfs/dbraw/zinc/63/53/34/921635334.db2.gz KJXXPQNQJYPKEU-RXVVDRJESA-N -1 3 390.487 3.629 20 0 GHADHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000366501663 921653522 /nfs/dbraw/zinc/65/35/22/921653522.db2.gz VEGPOTRLFLYJCK-LZWOXQAQSA-N -1 3 398.425 3.576 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000641386897 911399364 /nfs/dbraw/zinc/39/93/64/911399364.db2.gz MMVCJYNQTRRLCJ-JKSUJKDBSA-N -1 3 385.432 3.588 20 0 GHADHM CCCOc1cc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)ccc1OC ZINC000901870671 921665343 /nfs/dbraw/zinc/66/53/43/921665343.db2.gz FFSXOTZJMTUYBF-UHFFFAOYSA-N -1 3 387.480 3.524 20 0 GHADHM COc1ccc(Br)cc1CN1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000901888527 921698180 /nfs/dbraw/zinc/69/81/80/921698180.db2.gz UEDPBQAOHOJLEI-IRXDYDNUSA-N -1 3 390.277 3.758 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2c(C(F)(F)F)nc3n2CCCC3)C[C@H]1c1ccccc1 ZINC000901890207 921702659 /nfs/dbraw/zinc/70/26/59/921702659.db2.gz CWKYLPAUFXIRFF-LSDHHAIUSA-N -1 3 393.409 3.538 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1OCC ZINC000642315631 911972391 /nfs/dbraw/zinc/97/23/91/911972391.db2.gz TVOQRZARZTYUGZ-UHFFFAOYSA-N -1 3 379.478 3.910 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2c([O-])coc2c1 ZINC000642608576 912211869 /nfs/dbraw/zinc/21/18/69/912211869.db2.gz IFOQFFJLRVTECG-UHFFFAOYSA-N -1 3 380.227 3.606 20 0 GHADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)cc21 ZINC000646860923 914891663 /nfs/dbraw/zinc/89/16/63/914891663.db2.gz QMDJQYCJMFUDEI-UHFFFAOYSA-N -1 3 393.365 3.755 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000646957067 914950673 /nfs/dbraw/zinc/95/06/73/914950673.db2.gz UNBKHBPKDWVUNJ-MRXNPFEDSA-N -1 3 391.349 3.501 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187044555 914980599 /nfs/dbraw/zinc/98/05/99/914980599.db2.gz UUJWVOWHGVGTDW-UHFFFAOYSA-N -1 3 396.683 3.696 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000291138951 915001450 /nfs/dbraw/zinc/00/14/50/915001450.db2.gz WFRQLKJZVYZUOB-RTBURBONSA-N -1 3 384.867 3.744 20 0 GHADHM CN(C(=O)CN1CCC(C)(C(=O)[O-])CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000647373688 915190476 /nfs/dbraw/zinc/19/04/76/915190476.db2.gz MVYZIKLQOKEVKB-NRFANRHFSA-N -1 3 398.478 3.560 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc2ccn(C)c21)c1nc(C2CCCCC2)no1 ZINC001187453580 915260516 /nfs/dbraw/zinc/26/05/16/915260516.db2.gz KHIRXDSECNSAMP-ZDUSSCGKSA-N -1 3 388.493 3.649 20 0 GHADHM O=C(c1cc(Nc2ncc(Br)cc2[O-])ccc1F)N1CCCC1 ZINC001187457573 915265647 /nfs/dbraw/zinc/26/56/47/915265647.db2.gz POJNDMPJSJDWQQ-UHFFFAOYSA-N -1 3 380.217 3.668 20 0 GHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(S(=O)(=O)CCOC)cc1 ZINC000291631513 915289122 /nfs/dbraw/zinc/28/91/22/915289122.db2.gz JNGUTEZFTCLGIC-UHFFFAOYSA-N -1 3 397.493 3.610 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1csnc1-c1ccccc1 ZINC000647896546 915429441 /nfs/dbraw/zinc/42/94/41/915429441.db2.gz QBYPUGNMHASCRN-INIZCTEOSA-N -1 3 399.541 3.615 20 0 GHADHM COc1c(Cl)cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1Cl ZINC001187915550 915594624 /nfs/dbraw/zinc/59/46/24/915594624.db2.gz SBZJRRYVFYDBIS-UHFFFAOYSA-N -1 3 380.187 3.609 20 0 GHADHM CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c([O-])c2)c(Cl)c1Cl ZINC001187883329 915605287 /nfs/dbraw/zinc/60/52/87/915605287.db2.gz AAMCDFMRUQZIEL-UHFFFAOYSA-N -1 3 392.235 3.884 20 0 GHADHM CC(C)(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188078328 915740916 /nfs/dbraw/zinc/74/09/16/915740916.db2.gz FDZQYNAMQBNLHS-UHFFFAOYSA-N -1 3 377.268 3.827 20 0 GHADHM CC(C)(Cc1ccccc1F)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188088588 915746507 /nfs/dbraw/zinc/74/65/07/915746507.db2.gz LRBWTPSWDFTMRR-UHFFFAOYSA-N -1 3 377.268 3.827 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1F)c1cnc(Cl)c(Cl)c1 ZINC001188087548 915746718 /nfs/dbraw/zinc/74/67/18/915746718.db2.gz IYRRONGYWWAIGW-UHFFFAOYSA-N -1 3 387.622 3.799 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1c(F)ccc2F)c1cnc(Cl)c(Cl)c1 ZINC001188098017 915755939 /nfs/dbraw/zinc/75/59/39/915755939.db2.gz UXRXRTADVIOTIB-LBPRGKRZSA-N -1 3 379.215 3.632 20 0 GHADHM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]CCN3CCCCC3)c2o1 ZINC001188168408 915789586 /nfs/dbraw/zinc/78/95/86/915789586.db2.gz XYOGVWCPQJEQIQ-UHFFFAOYSA-N -1 3 399.944 3.543 20 0 GHADHM CCCCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686895 916004723 /nfs/dbraw/zinc/00/47/23/916004723.db2.gz SYITUCDXVASRRR-FQEVSTJZSA-N -1 3 378.900 3.691 20 0 GHADHM Cc1ccc(C=Cc2nc(SCc3nnc(-c4ccccc4[O-])o3)n[nH]2)o1 ZINC001188581466 916064154 /nfs/dbraw/zinc/06/41/54/916064154.db2.gz FIGFRXZLQVSNLW-HJWRWDBZSA-N -1 3 381.417 3.924 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001188596847 916072177 /nfs/dbraw/zinc/07/21/77/916072177.db2.gz VBKSGZLJRYTRLW-CVEARBPZSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1cccc(N2CCC[C@]3(CN(C(=O)c4c(C)cccc4[O-])CCO3)C2)c1 ZINC001188640276 916096898 /nfs/dbraw/zinc/09/68/98/916096898.db2.gz LTPDFINGAWOPJU-HSZRJFAPSA-N -1 3 380.488 3.521 20 0 GHADHM CC(C)CCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098067491 916150213 /nfs/dbraw/zinc/15/02/13/916150213.db2.gz GHFGFDONLZTJRY-UHFFFAOYSA-N -1 3 395.352 3.704 20 0 GHADHM C[C@H](C(=O)[O-])C1(NCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000649509788 916199706 /nfs/dbraw/zinc/19/97/06/916199706.db2.gz HBVADKKWWIGKSF-SNVBAGLBSA-N -1 3 381.295 3.916 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)c(CO)c1)c1ccc(Oc2cccnc2)cc1 ZINC001188893631 916282652 /nfs/dbraw/zinc/28/26/52/916282652.db2.gz FESXEYHXGKIRCU-UHFFFAOYSA-N -1 3 390.848 3.820 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)ccc1-c1cnco1 ZINC001189103820 916404750 /nfs/dbraw/zinc/40/47/50/916404750.db2.gz LVPDGZQAFRQWGS-UHFFFAOYSA-N -1 3 392.864 3.988 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)cc1 ZINC001189309558 916541565 /nfs/dbraw/zinc/54/15/65/916541565.db2.gz GOWJKVAQKPLMQV-UHFFFAOYSA-N -1 3 383.416 3.862 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(F)c(OCC2CC2)c(F)c1 ZINC001189463362 916665469 /nfs/dbraw/zinc/66/54/69/916665469.db2.gz IRZROKLEVDMALM-UHFFFAOYSA-N -1 3 389.370 3.974 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC(c3ccc(C)c(C)c3)=NO2)sc1Cl ZINC001189578182 916755704 /nfs/dbraw/zinc/75/57/04/916755704.db2.gz NKCUTNLHGQYONC-CQSZACIVSA-N -1 3 398.937 3.798 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1c(F)ccc(Br)c1F ZINC001189698869 916839348 /nfs/dbraw/zinc/83/93/48/916839348.db2.gz OLXWMUFUQAYCCI-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766037 916902075 /nfs/dbraw/zinc/90/20/75/916902075.db2.gz IJFKAICMFDIYRN-UHFFFAOYSA-N -1 3 380.322 3.818 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cccc(Br)c1F ZINC001189824194 916946530 /nfs/dbraw/zinc/94/65/30/916946530.db2.gz RFODYJUXFPJTCP-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COc1cc([O-])c(C(=O)N[C@@H](c2ccncc2C(F)(F)F)C2CC2)c(OC)c1 ZINC001190144168 917126012 /nfs/dbraw/zinc/12/60/12/917126012.db2.gz IKHVLLXSEBHZPH-QGZVFWFLSA-N -1 3 396.365 3.704 20 0 GHADHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000362325457 917211433 /nfs/dbraw/zinc/21/14/33/917211433.db2.gz ICKOGWWUPPNYRH-PBEJRMEISA-N -1 3 383.444 3.593 20 0 GHADHM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(CN(C)C)c1 ZINC001190256245 917213831 /nfs/dbraw/zinc/21/38/31/917213831.db2.gz VHTAYOOFPUDKRW-UHFFFAOYSA-N -1 3 388.411 3.576 20 0 GHADHM Cn1cc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001190359381 917286541 /nfs/dbraw/zinc/28/65/41/917286541.db2.gz YRYXZKMCKUNGOU-UHFFFAOYSA-N -1 3 395.253 3.701 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)nc2)c([O-])c1 ZINC001190418119 917325273 /nfs/dbraw/zinc/32/52/73/917325273.db2.gz MYFSTDSKQFTRGV-UHFFFAOYSA-N -1 3 397.475 3.985 20 0 GHADHM COc1ccccc1-c1nnc([N-]C(=O)c2nnn(CC3CCCC3)c2C)s1 ZINC000295643481 917395630 /nfs/dbraw/zinc/39/56/30/917395630.db2.gz PBXPWWIVPXDZDA-UHFFFAOYSA-N -1 3 398.492 3.556 20 0 GHADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@H](c1nccs1)c1ccccc1 ZINC000295658402 917403712 /nfs/dbraw/zinc/40/37/12/917403712.db2.gz IBGCJHYYBZGEMG-GJZGRUSLSA-N -1 3 386.489 3.977 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1C ZINC001190593212 917435958 /nfs/dbraw/zinc/43/59/58/917435958.db2.gz MJIVWDUQOHJIGQ-ZDUSSCGKSA-N -1 3 381.881 3.783 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cnn1C1CCOCC1 ZINC000295851379 917548098 /nfs/dbraw/zinc/54/80/98/917548098.db2.gz CCCJVIBGRQQXGC-DHZHZOJOSA-N -1 3 381.885 3.609 20 0 GHADHM Cc1cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(F)cc1C(F)(F)F ZINC001190774788 917557844 /nfs/dbraw/zinc/55/78/44/917557844.db2.gz NTIKGXLDYLCOSP-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C(=O)OC)c2)cc1 ZINC001191248520 917879325 /nfs/dbraw/zinc/87/93/25/917879325.db2.gz FAQPDYZXNFBLEL-UHFFFAOYSA-N -1 3 377.462 3.625 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nncn2-c2cccc(Cl)c2)no1 ZINC000363197540 917898911 /nfs/dbraw/zinc/89/89/11/917898911.db2.gz PBYAOAGLLXIUQN-UHFFFAOYSA-N -1 3 385.836 3.969 20 0 GHADHM Cc1ccc(-c2noc(CCCN3Cc4ccccc4[C@@H](C(=O)[O-])C3)n2)cc1F ZINC000652470844 917905640 /nfs/dbraw/zinc/90/56/40/917905640.db2.gz LBZYTKPLDPDOGD-SFHVURJKSA-N -1 3 395.434 3.801 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@@](C(=O)[O-])(c4ccccc4)C3)co2)cc1 ZINC000652501865 917914999 /nfs/dbraw/zinc/91/49/99/917914999.db2.gz XJQPSDAJYFKKQV-QFIPXVFZSA-N -1 3 378.428 3.579 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(OCC(F)(F)F)cc1 ZINC001191396085 917954689 /nfs/dbraw/zinc/95/46/89/917954689.db2.gz NUQDEDSMZWUIFC-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)nc2Cl)cc1 ZINC001191410696 917986327 /nfs/dbraw/zinc/98/63/27/917986327.db2.gz DPCCXCLTORBKQH-UHFFFAOYSA-N -1 3 393.223 3.505 20 0 GHADHM COc1ccccc1NC(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000775460579 918010251 /nfs/dbraw/zinc/01/02/51/918010251.db2.gz UOLXGJJUYAAVCO-GOSISDBHSA-N -1 3 385.420 3.527 20 0 GHADHM COc1ccccc1NC(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000775460579 918010267 /nfs/dbraw/zinc/01/02/67/918010267.db2.gz UOLXGJJUYAAVCO-GOSISDBHSA-N -1 3 385.420 3.527 20 0 GHADHM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC001191703893 918129089 /nfs/dbraw/zinc/12/90/89/918129089.db2.gz RDFGFZGFSOGINV-DZGCQCFKSA-N -1 3 384.270 3.731 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ncc(C(F)(F)F)cc1F ZINC001191866879 918271271 /nfs/dbraw/zinc/27/12/71/918271271.db2.gz PISVYCZQGUCMMN-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CC(C)OC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191904423 918293880 /nfs/dbraw/zinc/29/38/80/918293880.db2.gz ZZXWMQDWVVIWIW-UHFFFAOYSA-N -1 3 385.844 3.986 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c(-c2ccccc2)s1 ZINC001191926206 918301841 /nfs/dbraw/zinc/30/18/41/918301841.db2.gz SQYWVPUYJHXBNO-MRXNPFEDSA-N -1 3 392.546 3.889 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(OC2CCCCC2)nc1 ZINC001192097870 918436989 /nfs/dbraw/zinc/43/69/89/918436989.db2.gz MWCPZJWZMZLRMI-UHFFFAOYSA-N -1 3 388.395 3.677 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(Cl)cnc3Cl)c2)o1 ZINC001192228803 918552936 /nfs/dbraw/zinc/55/29/36/918552936.db2.gz DVYRGUCKVBXYRL-UHFFFAOYSA-N -1 3 385.232 3.548 20 0 GHADHM O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1[O-] ZINC000017574453 919506638 /nfs/dbraw/zinc/50/66/38/919506638.db2.gz HCUCPXIHKRACSK-IBGZPJMESA-N -1 3 378.453 3.687 20 0 GHADHM COc1cc2c(cc1CNCCc1cc3ccc(C(=O)[O-])cc3o1)O[C@H](C)C2 ZINC000900073232 919804247 /nfs/dbraw/zinc/80/42/47/919804247.db2.gz GFDJVVRTGLLEJT-CYBMUJFWSA-N -1 3 381.428 3.795 20 0 GHADHM C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073936 919805774 /nfs/dbraw/zinc/80/57/74/919805774.db2.gz OCMRCJNCJRUSGH-BRADTZPFSA-N -1 3 377.391 3.711 20 0 GHADHM O=C([N-]c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1nnc(-c2ccco2)o1 ZINC000900347558 920232552 /nfs/dbraw/zinc/23/25/52/920232552.db2.gz WWBCTJPHDNHZED-LBPRGKRZSA-N -1 3 389.795 3.793 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000298301022 920380547 /nfs/dbraw/zinc/38/05/47/920380547.db2.gz JKEBAGPFWFJIMN-UHFFFAOYSA-N -1 3 392.297 3.543 20 0 GHADHM O=c1nc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)[n-]c2ccsc21 ZINC000298378296 920465438 /nfs/dbraw/zinc/46/54/38/920465438.db2.gz GKBPFJMLJIEUJH-UHFFFAOYSA-N -1 3 383.473 3.727 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c(Cl)n1 ZINC000800838626 920513419 /nfs/dbraw/zinc/51/34/19/920513419.db2.gz HRZPJKGKOQPIJR-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000900722162 920549444 /nfs/dbraw/zinc/54/94/44/920549444.db2.gz QVUPTWTYBAYOAE-UHFFFAOYSA-N -1 3 393.361 3.553 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCC(F)(F)C3)cc21 ZINC000800941145 920628516 /nfs/dbraw/zinc/62/85/16/920628516.db2.gz AMNNSVRHOCWQMU-JTQLQIEISA-N -1 3 377.840 3.573 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000801447790 921033101 /nfs/dbraw/zinc/03/31/01/921033101.db2.gz JTMYABNYFLXPJP-QFIPXVFZSA-N -1 3 384.476 3.922 20 0 GHADHM CCOc1cc(CN2CCC(CC(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000901418770 921089338 /nfs/dbraw/zinc/08/93/38/921089338.db2.gz CYYKJGWLKGQXPG-UHFFFAOYSA-N -1 3 375.387 3.713 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC(OC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000901428575 921097530 /nfs/dbraw/zinc/09/75/30/921097530.db2.gz ICIZMODBIYKXDT-UHFFFAOYSA-N -1 3 383.492 3.558 20 0 GHADHM COc1cc([C@@H](C)NCc2ccnc3c(C(=O)[O-])cccc23)cc(OC)c1OC ZINC000902117791 921893576 /nfs/dbraw/zinc/89/35/76/921893576.db2.gz WKBAMEYGVDZBTL-CYBMUJFWSA-N -1 3 396.443 3.810 20 0 GHADHM CC(C)c1ccccc1OCCNCc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902252298 922030903 /nfs/dbraw/zinc/03/09/03/922030903.db2.gz CWYQJRLSMIAPGJ-UHFFFAOYSA-N -1 3 379.460 3.863 20 0 GHADHM O=C([O-])/C=C/c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000902256471 922036170 /nfs/dbraw/zinc/03/61/70/922036170.db2.gz PYOXNUDNYIDWBW-NPQIQWPPSA-N -1 3 380.366 3.765 20 0 GHADHM CN1C(=O)C[C@H](NCc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000902426776 922186185 /nfs/dbraw/zinc/18/61/85/922186185.db2.gz CLZOSEQARGERNZ-FUHWJXTLSA-N -1 3 393.270 3.753 20 0 GHADHM COc1ccc(NCc2ccc(SC(F)F)cc2)cc1[N-]S(C)(=O)=O ZINC000802641130 922284873 /nfs/dbraw/zinc/28/48/73/922284873.db2.gz WXKNXRGMHZJJEY-UHFFFAOYSA-N -1 3 388.461 3.994 20 0 GHADHM CN(C)Cc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1C(F)(F)F ZINC000902756284 922469645 /nfs/dbraw/zinc/46/96/45/922469645.db2.gz FALUTPJNWLDPTD-UHFFFAOYSA-N -1 3 386.414 3.843 20 0 GHADHM C[C@@H]1C[C@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)[C@H](C)O1 ZINC000902945058 922627052 /nfs/dbraw/zinc/62/70/52/922627052.db2.gz CCNGTFZKWRXCKD-HRDYMLBCSA-N -1 3 386.748 3.775 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803279521 922851370 /nfs/dbraw/zinc/85/13/70/922851370.db2.gz JTHFMVGNKQAPOM-IEBWSBKVSA-N -1 3 385.847 3.881 20 0 GHADHM CC1(C)CC[C@H](COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)O1 ZINC000803282324 922853423 /nfs/dbraw/zinc/85/34/23/922853423.db2.gz INZYULUHYKFRDV-UXHICEINSA-N -1 3 397.471 3.754 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(O)ccc1C(F)(F)F ZINC000803527724 923070893 /nfs/dbraw/zinc/07/08/93/923070893.db2.gz ZLZUGAIYNFEZCD-UHFFFAOYSA-N -1 3 380.278 3.524 20 0 GHADHM CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C[C@](C)(O)C(=O)[O-] ZINC000903606554 923122302 /nfs/dbraw/zinc/12/23/02/923122302.db2.gz CKVCNKRTYHFKOJ-SFHVURJKSA-N -1 3 385.794 3.678 20 0 GHADHM COc1cccc(-c2nc(CN3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cs2)c1OC ZINC000903612369 923126893 /nfs/dbraw/zinc/12/68/93/923126893.db2.gz CGDIWCYEFVPJNA-RBZFPXEDSA-N -1 3 388.489 3.514 20 0 GHADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903900277 923381210 /nfs/dbraw/zinc/38/12/10/923381210.db2.gz CNGFDTIEEISFIL-SWLSCSKDSA-N -1 3 381.341 3.742 20 0 GHADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903900278 923381408 /nfs/dbraw/zinc/38/14/08/923381408.db2.gz CNGFDTIEEISFIL-WFASDCNBSA-N -1 3 381.341 3.742 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000903917610 923397932 /nfs/dbraw/zinc/39/79/32/923397932.db2.gz VZBRGDTYCONLQC-RMKNXTFCSA-N -1 3 398.528 3.988 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000903921190 923400911 /nfs/dbraw/zinc/40/09/11/923400911.db2.gz HNYUYIBBVOHIKF-UHFFFAOYSA-N -1 3 394.393 3.890 20 0 GHADHM Cc1csc(C[C@H]2CCN(Cc3c(Br)cccc3C(=O)[O-])C2)n1 ZINC000903935336 923409807 /nfs/dbraw/zinc/40/98/07/923409807.db2.gz JJHWOXIMHQFIHD-GFCCVEGCSA-N -1 3 395.322 3.977 20 0 GHADHM O=C([O-])c1cccc(Cl)c1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903944025 923421774 /nfs/dbraw/zinc/42/17/74/923421774.db2.gz HIXDTXWXWPQVPO-SNVBAGLBSA-N -1 3 385.773 3.837 20 0 GHADHM O=C([O-])[C@@H](CNCc1cn(C2CC2)cn1)Cc1ccc(-c2ccccc2)cc1 ZINC000903990959 923452989 /nfs/dbraw/zinc/45/29/89/923452989.db2.gz GUZYIGBXRRPQOH-HXUWFJFHSA-N -1 3 375.472 3.918 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c1Cl ZINC000676848375 924110170 /nfs/dbraw/zinc/11/01/70/924110170.db2.gz FOQUFEFIVNSOAM-ZDUSSCGKSA-N -1 3 396.242 3.592 20 0 GHADHM CCOc1c(OC)cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000678130222 924623462 /nfs/dbraw/zinc/62/34/62/924623462.db2.gz KPHDDBVAMCKTKS-UHFFFAOYSA-N -1 3 399.487 3.903 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000409473786 924664603 /nfs/dbraw/zinc/66/46/03/924664603.db2.gz HFGILTQNKKLFPC-KRWDZBQOSA-N -1 3 397.493 3.884 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000409472712 924672653 /nfs/dbraw/zinc/67/26/53/924672653.db2.gz ZMJWRWGKADRWAC-CYBMUJFWSA-N -1 3 381.519 3.569 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(CCO)CCc1ccccc1 ZINC000678323829 924725051 /nfs/dbraw/zinc/72/50/51/924725051.db2.gz ATEHDHACAIFQSF-UHFFFAOYSA-N -1 3 375.468 3.660 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000827164700 924921825 /nfs/dbraw/zinc/92/18/25/924921825.db2.gz LEJDCSVYLFWNEW-UHFFFAOYSA-N -1 3 384.358 3.706 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000827164700 924921832 /nfs/dbraw/zinc/92/18/32/924921832.db2.gz LEJDCSVYLFWNEW-UHFFFAOYSA-N -1 3 384.358 3.706 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(Cc2ccccc2)C1 ZINC000679349187 925105319 /nfs/dbraw/zinc/10/53/19/925105319.db2.gz VNEUHFPSNPTOOD-UHFFFAOYSA-N -1 3 397.272 3.605 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CC2)CC1 ZINC000679555759 925179867 /nfs/dbraw/zinc/17/98/67/925179867.db2.gz OZKWTHCALNSAOC-HXUWFJFHSA-N -1 3 378.472 3.656 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000372224968 925258374 /nfs/dbraw/zinc/25/83/74/925258374.db2.gz ZGRZUWBQPIRPQM-CQSZACIVSA-N -1 3 382.847 3.865 20 0 GHADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1C ZINC000680021230 925331996 /nfs/dbraw/zinc/33/19/96/925331996.db2.gz BNRFJBQSJKKGBZ-UHFFFAOYSA-N -1 3 398.431 3.707 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680107853 925365430 /nfs/dbraw/zinc/36/54/30/925365430.db2.gz NXFSPILDSYCHPK-CYBMUJFWSA-N -1 3 394.226 3.825 20 0 GHADHM O=c1[n-]c(CN2CC[C@@H](Oc3cccc(F)c3)C2)nc2c3ccccc3oc21 ZINC000680113220 925368859 /nfs/dbraw/zinc/36/88/59/925368859.db2.gz PUEXPJWJGFFGLC-OAHLLOKOSA-N -1 3 379.391 3.874 20 0 GHADHM CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC(F)(F)CC1 ZINC000680237501 925402320 /nfs/dbraw/zinc/40/23/20/925402320.db2.gz DWKQEWCXDGMVRG-UHFFFAOYSA-N -1 3 399.235 3.988 20 0 GHADHM COc1ccc(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)n2C)cc1 ZINC000372536199 925518216 /nfs/dbraw/zinc/51/82/16/925518216.db2.gz ASYCIXSXLFWOAI-UHFFFAOYSA-N -1 3 395.444 3.539 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccc(F)cc2)no1 ZINC001137446107 925825056 /nfs/dbraw/zinc/82/50/56/925825056.db2.gz GFLAFIKBKUUWTD-UHFFFAOYSA-N -1 3 391.196 3.879 20 0 GHADHM COC(=O)c1scc(C)c1[N-]C(=O)c1nc(C)sc1Br ZINC000410787702 925837009 /nfs/dbraw/zinc/83/70/09/925837009.db2.gz GJYRAYQUQFFHJP-UHFFFAOYSA-N -1 3 375.269 3.623 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000392243271 926404841 /nfs/dbraw/zinc/40/48/41/926404841.db2.gz NATYFSQPCYJKAE-UHFFFAOYSA-N -1 3 392.239 3.677 20 0 GHADHM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276173251 926586552 /nfs/dbraw/zinc/58/65/52/926586552.db2.gz VDWXWDGDEBQBSL-MRXNPFEDSA-N -1 3 379.234 3.531 20 0 GHADHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000374370436 927065973 /nfs/dbraw/zinc/06/59/73/927065973.db2.gz DDTWACPDFYQHMZ-OAHLLOKOSA-N -1 3 399.244 3.544 20 0 GHADHM CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276198693 927154158 /nfs/dbraw/zinc/15/41/58/927154158.db2.gz PAAKPIZOHILLLK-DYVFJYSZSA-N -1 3 378.900 3.555 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000412667769 927712136 /nfs/dbraw/zinc/71/21/36/927712136.db2.gz AXCSKGUYIREQKR-NVXWUHKLSA-N -1 3 394.443 3.637 20 0 GHADHM Cc1cc(C=CC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1C1CCCCC1 ZINC000750628958 927767382 /nfs/dbraw/zinc/76/73/82/927767382.db2.gz YWSQIEKJYYQYEC-CMDGGOBGSA-N -1 3 380.492 3.704 20 0 GHADHM O=C(C(=Cc1ccc(F)cc1)c1cccs1)N1CCc2nc[n-]c(=O)c2C1 ZINC000750712305 927809914 /nfs/dbraw/zinc/80/99/14/927809914.db2.gz AFCBEUFKRAMZFI-XNTDXEJSSA-N -1 3 381.432 3.508 20 0 GHADHM CCCCC1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000751042268 927998360 /nfs/dbraw/zinc/99/83/60/927998360.db2.gz DHNHQGMIWQLASR-UHFFFAOYSA-N -1 3 388.917 3.549 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000751212522 928075456 /nfs/dbraw/zinc/07/54/56/928075456.db2.gz ZMHYQNJVWKJRCJ-GASCZTMLSA-N -1 3 392.496 3.803 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)c1c(F)cccc1Cl ZINC000751473986 928209473 /nfs/dbraw/zinc/20/94/73/928209473.db2.gz JJTVACVSXAPBIR-AYVTZFPOSA-N -1 3 396.242 3.672 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1c(F)cccc1Cl ZINC000751472818 928209580 /nfs/dbraw/zinc/20/95/80/928209580.db2.gz FMZGAGKUSWYKQF-VXJOIVPMSA-N -1 3 396.242 3.672 20 0 GHADHM COc1cc(Br)ccc1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000543934519 928582794 /nfs/dbraw/zinc/58/27/94/928582794.db2.gz PXEOHPLSVZJCGM-UHFFFAOYSA-N -1 3 382.229 3.551 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1F ZINC000752398929 928812045 /nfs/dbraw/zinc/81/20/45/928812045.db2.gz BVFHOBJZJWHGJI-KRWDZBQOSA-N -1 3 398.887 3.514 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000752509437 928857348 /nfs/dbraw/zinc/85/73/48/928857348.db2.gz POOKEYUCAKYVJD-SNVBAGLBSA-N -1 3 395.806 3.530 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3ccccc32)c(F)cc1F ZINC000753065961 929189182 /nfs/dbraw/zinc/18/91/82/929189182.db2.gz NCOQWWPPCCAKRC-UHFFFAOYSA-N -1 3 376.384 3.877 20 0 GHADHM Cn1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(C2CCCCC2)n1 ZINC000467813445 929456309 /nfs/dbraw/zinc/45/63/09/929456309.db2.gz YYOLIWCNFGMPHI-UHFFFAOYSA-N -1 3 385.418 3.810 20 0 GHADHM C[C@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000757686365 929770941 /nfs/dbraw/zinc/77/09/41/929770941.db2.gz CLJLPUBRGVHTFI-HRAATJIYSA-N -1 3 390.439 3.953 20 0 GHADHM C[C@@H](c1ccsc1)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469565829 929993807 /nfs/dbraw/zinc/99/38/07/929993807.db2.gz VKJNBVISLITKGN-HNNXBMFYSA-N -1 3 376.497 3.821 20 0 GHADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000759115741 930278881 /nfs/dbraw/zinc/27/88/81/930278881.db2.gz HCOKWXLDRHTDKP-FHXOWUIVSA-N -1 3 380.419 3.576 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2sc(C)nc2C(F)(F)F)cc1[O-] ZINC000759542175 930397755 /nfs/dbraw/zinc/39/77/55/930397755.db2.gz DWIXXHDZCFZTIF-UHFFFAOYSA-N -1 3 390.339 3.711 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000759707356 930460343 /nfs/dbraw/zinc/46/03/43/930460343.db2.gz QIODMTGDDWVELX-RYUDHWBXSA-N -1 3 399.285 3.787 20 0 GHADHM C[C@@H](CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000470217835 930460874 /nfs/dbraw/zinc/46/08/74/930460874.db2.gz AXMUOGDDHKWAOM-NSHDSACASA-N -1 3 390.361 3.513 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000470239043 930478664 /nfs/dbraw/zinc/47/86/64/930478664.db2.gz JSKIWGUDYCERJJ-UHFFFAOYSA-N -1 3 378.219 3.601 20 0 GHADHM O=S(=O)([N-]Cc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)s1 ZINC001256527951 930493582 /nfs/dbraw/zinc/49/35/82/930493582.db2.gz WKFXGIBDJQUZTC-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM CC(C)S[C@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000781492552 930497988 /nfs/dbraw/zinc/49/79/88/930497988.db2.gz PIWVICCTTZLCIW-HOTGVXAUSA-N -1 3 389.514 3.807 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)cc1 ZINC000546943215 930551160 /nfs/dbraw/zinc/55/11/60/930551160.db2.gz NXEAQWIUJRCSIY-UHFFFAOYSA-N -1 3 383.351 3.794 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCCC1 ZINC000780716893 930584830 /nfs/dbraw/zinc/58/48/30/930584830.db2.gz UAKHGWFAOLNGNG-NSHDSACASA-N -1 3 384.851 3.512 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3F)no2)ccc1F ZINC000547011089 930612065 /nfs/dbraw/zinc/61/20/65/930612065.db2.gz KOQXZXUWGIKNNB-UHFFFAOYSA-N -1 3 393.415 3.759 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)COCC(F)(F)F ZINC000470617736 930753640 /nfs/dbraw/zinc/75/36/40/930753640.db2.gz IOTLGRPZEMFXLF-MRVPVSSYSA-N -1 3 385.791 3.640 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cn2ccnc2s1 ZINC000470633359 930769441 /nfs/dbraw/zinc/76/94/41/930769441.db2.gz DMXLJIZCDJCOQJ-UHFFFAOYSA-N -1 3 379.829 3.959 20 0 GHADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000781357149 930811616 /nfs/dbraw/zinc/81/16/16/930811616.db2.gz LZOHUJLAMDYGCX-UHFFFAOYSA-N -1 3 382.367 3.961 20 0 GHADHM Cc1nc(C)c(CC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000470737749 930871205 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Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 ZINC000782916087 931366184 /nfs/dbraw/zinc/36/61/84/931366184.db2.gz MKTRZYGKLCBZNE-UHFFFAOYSA-N -1 3 388.533 3.930 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCCc2ccccc2)c1 ZINC000557428434 931421948 /nfs/dbraw/zinc/42/19/48/931421948.db2.gz RCPHMXCKCITUEF-INIZCTEOSA-N -1 3 378.350 3.685 20 0 GHADHM Cc1sc(NC=C2C(=O)[N-]C(=O)c3ccccc32)nc1-c1ccc(F)cc1 ZINC000783679064 931615560 /nfs/dbraw/zinc/61/55/60/931615560.db2.gz NJZHWHMTMKYXDD-MHWRWJLKSA-N -1 3 379.416 3.981 20 0 GHADHM CCOc1cccc2cc([C@@H](C)N/C=C3\C(=O)[N-]C(=O)c4ccccc43)oc21 ZINC000783679676 931616258 /nfs/dbraw/zinc/61/62/58/931616258.db2.gz VNUZVPWACUZRHV-KAECEXQPSA-N -1 3 376.412 3.793 20 0 GHADHM CO[C@H]1Cc2ccc(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)cc2C1 ZINC000783930000 931720698 /nfs/dbraw/zinc/72/06/98/931720698.db2.gz RBNHGHIDFJLQKX-IBGZPJMESA-N -1 3 390.443 3.915 20 0 GHADHM Cc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1Br ZINC000783963086 931733394 /nfs/dbraw/zinc/73/33/94/931733394.db2.gz CQKTYNKLZPBDGV-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)nn1-c1ccc(C)cc1 ZINC000784568763 931942257 /nfs/dbraw/zinc/94/22/57/931942257.db2.gz YTYSACMAWWSGTP-UHFFFAOYSA-N -1 3 390.399 3.602 20 0 GHADHM Cc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cnn1C1CCCCC1 ZINC000784631526 931963821 /nfs/dbraw/zinc/96/38/21/931963821.db2.gz NEGNGXCSQVVZSO-UHFFFAOYSA-N -1 3 382.420 3.809 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(c2ccccc2Br)CC1 ZINC000558464341 932016623 /nfs/dbraw/zinc/01/66/23/932016623.db2.gz OPUBPTXTMHEYOB-UHFFFAOYSA-N -1 3 399.292 3.930 20 0 GHADHM C[C@@](CO)(NCc1cc(=O)oc2cc([O-])ccc12)c1cccc(C(F)(F)F)c1 ZINC000777588704 932065597 /nfs/dbraw/zinc/06/55/97/932065597.db2.gz OSAADCSTCGQMLB-IBGZPJMESA-N -1 3 393.361 3.515 20 0 GHADHM CSCCCCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796840466 932085812 /nfs/dbraw/zinc/08/58/12/932085812.db2.gz KGHGJOWNOYRRLG-UHFFFAOYSA-N -1 3 399.456 3.767 20 0 GHADHM Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000797744341 932392056 /nfs/dbraw/zinc/39/20/56/932392056.db2.gz OYCZHHIBPJUEGN-GOSISDBHSA-N -1 3 388.439 3.722 20 0 GHADHM CC(C)[C@@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000798366562 932616296 /nfs/dbraw/zinc/61/62/96/932616296.db2.gz FQULSHKLVFQQQY-QGZVFWFLSA-N -1 3 399.457 3.526 20 0 GHADHM CCCOc1cccc2c(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)ccnc12 ZINC000798403375 932633784 /nfs/dbraw/zinc/63/37/84/932633784.db2.gz XPWWQCLTYIUKEB-UHFFFAOYSA-N -1 3 395.425 3.919 20 0 GHADHM CC1(C)CC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000798450480 932653592 /nfs/dbraw/zinc/65/35/92/932653592.db2.gz KYKUGPGYHQFMQS-UHFFFAOYSA-N -1 3 391.478 3.691 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023430 932854467 /nfs/dbraw/zinc/85/44/67/932854467.db2.gz CEXFBCAQVBQCCB-UHFFFAOYSA-N -1 3 398.469 3.953 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000799091049 932875102 /nfs/dbraw/zinc/87/51/02/932875102.db2.gz CGRLDJRAYFDGRZ-UHFFFAOYSA-N -1 3 384.657 3.902 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NS(=O)(=O)C=Cc3ccccc3F)c2)n1 ZINC000799915859 933166285 /nfs/dbraw/zinc/16/62/85/933166285.db2.gz IGUSJLSZKXTUAY-ZHACJKMWSA-N -1 3 399.447 3.963 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c1[O-] ZINC000560550162 933333825 /nfs/dbraw/zinc/33/38/25/933333825.db2.gz IXFZTAGUOCUXAR-MRXNPFEDSA-N -1 3 388.423 3.740 20 0 GHADHM CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2F)c1[O-] ZINC000560550242 933334316 /nfs/dbraw/zinc/33/43/16/933334316.db2.gz JNJJXQLBYQIPIB-UHFFFAOYSA-N -1 3 382.185 3.514 20 0 GHADHM CC(C)c1ccc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(C(C)C)c1 ZINC000929557469 933508457 /nfs/dbraw/zinc/50/84/57/933508457.db2.gz RKUIEHRPFGIKDV-MRXNPFEDSA-N -1 3 383.496 3.829 20 0 GHADHM C/C(=C\c1cccc(Cl)c1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001116390282 933530272 /nfs/dbraw/zinc/53/02/72/933530272.db2.gz JMZORQUGWBPHQK-FMIVXFBMSA-N -1 3 396.871 3.570 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCCN1Cc1ccncc1 ZINC001116395712 933532514 /nfs/dbraw/zinc/53/25/14/933532514.db2.gz HUHIYHHUOGJLQJ-INIZCTEOSA-N -1 3 390.281 3.543 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCCN1Cc1ccncc1 ZINC001116395713 933533549 /nfs/dbraw/zinc/53/35/49/933533549.db2.gz HUHIYHHUOGJLQJ-MRXNPFEDSA-N -1 3 390.281 3.543 20 0 GHADHM O=C(NCCNc1nccc2c(Br)cccc21)c1ccc([O-])cc1 ZINC001116447074 933564538 /nfs/dbraw/zinc/56/45/38/933564538.db2.gz UGWTVNHDXRODOQ-UHFFFAOYSA-N -1 3 386.249 3.545 20 0 GHADHM Cn1cc([C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2)cn1 ZINC001116546908 933625941 /nfs/dbraw/zinc/62/59/41/933625941.db2.gz AJJOQMQGYABDNQ-LJQANCHMSA-N -1 3 385.427 3.694 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)O[C@H]1CCCc2ccc(Br)cc21 ZINC001116830672 933782292 /nfs/dbraw/zinc/78/22/92/933782292.db2.gz SCHDLPYXYVFROA-INIZCTEOSA-N -1 3 391.265 3.807 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(Cc2ccc3ccccc3c2)o1 ZINC001117240747 933903846 /nfs/dbraw/zinc/90/38/46/933903846.db2.gz WCWZXHSBDVRNDB-ZDUSSCGKSA-N -1 3 399.497 3.915 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2ccccc2C)cc1OC ZINC000930307124 933973394 /nfs/dbraw/zinc/97/33/94/933973394.db2.gz ZHRCUVWSWYXDTJ-AWEZNQCLSA-N -1 3 376.478 3.507 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCCC1 ZINC000561310298 934042410 /nfs/dbraw/zinc/04/24/10/934042410.db2.gz DREPFSFNNUIUIN-UHFFFAOYSA-N -1 3 383.673 3.959 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1cc2c(cc1SC)OCCO2 ZINC001119138538 934312335 /nfs/dbraw/zinc/31/23/35/934312335.db2.gz CZOMPFXHRBTKHI-UHFFFAOYSA-N -1 3 379.409 3.588 20 0 GHADHM CCC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)sc2C1 ZINC000561634828 934326663 /nfs/dbraw/zinc/32/66/63/934326663.db2.gz LVQLPHBCUBQJDL-ZDUSSCGKSA-N -1 3 388.537 3.978 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccc4[nH]ccc4c3)CC2)c1 ZINC001120795621 934514590 /nfs/dbraw/zinc/51/45/90/934514590.db2.gz YPWHKQHFJVBGAP-UHFFFAOYSA-N -1 3 377.444 3.852 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(-n2cccn2)cc1 ZINC000778012415 934642168 /nfs/dbraw/zinc/64/21/68/934642168.db2.gz HWEJVVYSGMQSOA-NSHDSACASA-N -1 3 397.287 3.614 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)(F)F)cc1 ZINC000931622349 934647263 /nfs/dbraw/zinc/64/72/63/934647263.db2.gz ZRUBBDMTMGOLKF-UHFFFAOYSA-N -1 3 397.447 3.881 20 0 GHADHM Cc1nc(-c2nnc(N3CCC(C)=C(C)C3)n2CCc2ccccc2)cc(=O)[n-]1 ZINC001122179743 934839815 /nfs/dbraw/zinc/83/98/15/934839815.db2.gz YSBHLBXLTMMRIE-UHFFFAOYSA-N -1 3 390.491 3.538 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1ccc(Cl)s1 ZINC000562406580 934854052 /nfs/dbraw/zinc/85/40/52/934854052.db2.gz KOBVBZVSJSVIAO-UHFFFAOYSA-N -1 3 389.901 3.611 20 0 GHADHM Cc1nc(-c2nnc(N3CCc4cc(Cl)ccc4C3)n2CC(C)C)cc(=O)[n-]1 ZINC001122742425 934968688 /nfs/dbraw/zinc/96/86/88/934968688.db2.gz HZIUNOHFYJCKJA-UHFFFAOYSA-N -1 3 398.898 3.621 20 0 GHADHM Cc1nc(-c2nnc(N(C)Cc3ccc4cc[nH]c4c3)n2CC(C)C)cc(=O)[n-]1 ZINC001122835157 935003974 /nfs/dbraw/zinc/00/39/74/935003974.db2.gz MHJMNWPJVUKEMB-UHFFFAOYSA-N -1 3 391.479 3.523 20 0 GHADHM O=C(OC[C@]1(c2ccccc2)CCC(=O)NC1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123064942 935070769 /nfs/dbraw/zinc/07/07/69/935070769.db2.gz TXXQIANFBDABCW-NRFANRHFSA-N -1 3 399.397 3.505 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnc(Cl)cc1C(F)(F)F ZINC001125161296 935538700 /nfs/dbraw/zinc/53/87/00/935538700.db2.gz CMAHDOULCCCTKX-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001137627724 935641931 /nfs/dbraw/zinc/64/19/31/935641931.db2.gz YBNBNTKIOASRBJ-HXUWFJFHSA-N -1 3 391.471 3.516 20 0 GHADHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001137627723 935641978 /nfs/dbraw/zinc/64/19/78/935641978.db2.gz YBNBNTKIOASRBJ-FQEVSTJZSA-N -1 3 391.471 3.516 20 0 GHADHM COc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1SC(F)(F)F ZINC000829426994 935809072 /nfs/dbraw/zinc/80/90/72/935809072.db2.gz SVSWASPMLCXXAN-LLVKDONJSA-N -1 3 389.399 3.775 20 0 GHADHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829692563 935846070 /nfs/dbraw/zinc/84/60/70/935846070.db2.gz PEPBCVCMEBDEKB-UHFFFAOYSA-N -1 3 389.477 3.559 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(OC2CC2)cc1 ZINC000829728350 935852272 /nfs/dbraw/zinc/85/22/72/935852272.db2.gz BTDLOIBXUZRTGK-IBGZPJMESA-N -1 3 389.473 3.586 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001138015109 935928507 /nfs/dbraw/zinc/92/85/07/935928507.db2.gz QUCRSDONNVYODX-HNNXBMFYSA-N -1 3 391.855 3.515 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cnn(Cc2ccccc2)c1Cl ZINC000830429916 935944411 /nfs/dbraw/zinc/94/44/11/935944411.db2.gz CDSMPNCJEHOAQG-ZDUSSCGKSA-N -1 3 389.868 3.540 20 0 GHADHM O=C([O-])[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cc(F)ccc1F ZINC000908919992 939352389 /nfs/dbraw/zinc/35/23/89/939352389.db2.gz NUVOANKNUVCADE-LJQANCHMSA-N -1 3 388.414 3.506 20 0 GHADHM C[C@H](C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1)c1c(F)cccc1F ZINC001573607348 947546648 /nfs/dbraw/zinc/54/66/48/947546648.db2.gz KQJVCBGIVKMCHP-LBPRGKRZSA-N -1 3 383.402 3.834 20 0 GHADHM C[C@H](C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1)c1c(F)cccc1F ZINC001573607348 947546654 /nfs/dbraw/zinc/54/66/54/947546654.db2.gz KQJVCBGIVKMCHP-LBPRGKRZSA-N -1 3 383.402 3.834 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001573364750 947725504 /nfs/dbraw/zinc/72/55/04/947725504.db2.gz JEBVBQCRHNFMQU-XYOKQWHBSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001573364750 947725511 /nfs/dbraw/zinc/72/55/11/947725511.db2.gz JEBVBQCRHNFMQU-XYOKQWHBSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573367368 947759167 /nfs/dbraw/zinc/75/91/67/947759167.db2.gz ZUTNNYKYYGKQMV-QBFSEMIESA-N -1 3 381.867 3.975 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573367368 947759175 /nfs/dbraw/zinc/75/91/75/947759175.db2.gz ZUTNNYKYYGKQMV-QBFSEMIESA-N -1 3 381.867 3.975 20 0 GHADHM C[C@@H](C(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001573716920 948503403 /nfs/dbraw/zinc/50/34/03/948503403.db2.gz JYKBKCCAFPGCPW-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM C[C@@H](C(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001573716920 948503408 /nfs/dbraw/zinc/50/34/08/948503408.db2.gz JYKBKCCAFPGCPW-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM C[C@@H](C(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573755666 948780392 /nfs/dbraw/zinc/78/03/92/948780392.db2.gz RWKOTHCYSFKQLM-MNOVXSKESA-N -1 3 395.301 3.991 20 0 GHADHM C[C@@H](C(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573755666 948780400 /nfs/dbraw/zinc/78/04/00/948780400.db2.gz RWKOTHCYSFKQLM-MNOVXSKESA-N -1 3 395.301 3.991 20 0 GHADHM CC(C)c1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC001574420540 948802100 /nfs/dbraw/zinc/80/21/00/948802100.db2.gz XJWVCTISHOHRIY-UHFFFAOYSA-N -1 3 381.484 3.868 20 0 GHADHM CC(C)c1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC001574420540 948802119 /nfs/dbraw/zinc/80/21/19/948802119.db2.gz XJWVCTISHOHRIY-UHFFFAOYSA-N -1 3 381.484 3.868 20 0 GHADHM C[C@H](C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1cn(C)c2ccccc12 ZINC001573757216 948826856 /nfs/dbraw/zinc/82/68/56/948826856.db2.gz YSCTYWBEEXMHLG-ZDUSSCGKSA-N -1 3 386.459 3.978 20 0 GHADHM C[C@H](C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1cn(C)c2ccccc12 ZINC001573757216 948826874 /nfs/dbraw/zinc/82/68/74/948826874.db2.gz YSCTYWBEEXMHLG-ZDUSSCGKSA-N -1 3 386.459 3.978 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001575503033 949039642 /nfs/dbraw/zinc/03/96/42/949039642.db2.gz NFOHRXYUTPMQOB-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001575503033 949039657 /nfs/dbraw/zinc/03/96/57/949039657.db2.gz NFOHRXYUTPMQOB-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC001574098482 949160237 /nfs/dbraw/zinc/16/02/37/949160237.db2.gz AWNPSVWJBGYZHJ-CMPLNLGQSA-N -1 3 377.539 3.523 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC001574098482 949160258 /nfs/dbraw/zinc/16/02/58/949160258.db2.gz AWNPSVWJBGYZHJ-CMPLNLGQSA-N -1 3 377.539 3.523 20 0 GHADHM CC(C)[C@H]1N(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC12CCCC2 ZINC001574099695 949182046 /nfs/dbraw/zinc/18/20/46/949182046.db2.gz NMBYVIIIHGWTTD-RTBURBONSA-N -1 3 394.523 3.854 20 0 GHADHM CC(C)[C@H]1N(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC12CCCC2 ZINC001574099695 949182058 /nfs/dbraw/zinc/18/20/58/949182058.db2.gz NMBYVIIIHGWTTD-RTBURBONSA-N -1 3 394.523 3.854 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(c2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001575857459 949268868 /nfs/dbraw/zinc/26/88/68/949268868.db2.gz RGTKSNRABYWEDU-GOSISDBHSA-N -1 3 399.296 3.582 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(c2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001575857459 949268886 /nfs/dbraw/zinc/26/88/86/949268886.db2.gz RGTKSNRABYWEDU-GOSISDBHSA-N -1 3 399.296 3.582 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001573825660 949890458 /nfs/dbraw/zinc/89/04/58/949890458.db2.gz ANKCOAKBQDQDDH-UONOGXRCSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001573825660 949890480 /nfs/dbraw/zinc/89/04/80/949890480.db2.gz ANKCOAKBQDQDDH-UONOGXRCSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)C[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001574144974 949921577 /nfs/dbraw/zinc/92/15/77/949921577.db2.gz RNSDMZHFCKULSB-ZDUSSCGKSA-N -1 3 384.509 3.829 20 0 GHADHM C[C@H](CC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(F)cc1F ZINC001574491942 950053394 /nfs/dbraw/zinc/05/33/94/950053394.db2.gz HEAYCSJLEAPGLF-CWTRNNRKSA-N -1 3 397.429 3.832 20 0 GHADHM C[C@H](CC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1F ZINC001574491942 950053414 /nfs/dbraw/zinc/05/34/14/950053414.db2.gz HEAYCSJLEAPGLF-CWTRNNRKSA-N -1 3 397.429 3.832 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)CC12CCCCC2 ZINC001576190993 950181215 /nfs/dbraw/zinc/18/12/15/950181215.db2.gz FNZDABPFSPISPT-AWEZNQCLSA-N -1 3 378.480 3.781 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)CC12CCCCC2 ZINC001576190993 950181223 /nfs/dbraw/zinc/18/12/23/950181223.db2.gz FNZDABPFSPISPT-AWEZNQCLSA-N -1 3 378.480 3.781 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573872995 950635189 /nfs/dbraw/zinc/63/51/89/950635189.db2.gz CACWGJLMZDOKHN-QZTJIDSGSA-N -1 3 394.431 3.768 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573872995 950635211 /nfs/dbraw/zinc/63/52/11/950635211.db2.gz CACWGJLMZDOKHN-QZTJIDSGSA-N -1 3 394.431 3.768 20 0 GHADHM C[C@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCCC(C)(C)C)C1 ZINC001576214075 950661100 /nfs/dbraw/zinc/66/11/00/950661100.db2.gz MMZWGJYELBPHSJ-HNNXBMFYSA-N -1 3 394.527 3.798 20 0 GHADHM C[C@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCCC(C)(C)C)C1 ZINC001576214075 950661114 /nfs/dbraw/zinc/66/11/14/950661114.db2.gz MMZWGJYELBPHSJ-HNNXBMFYSA-N -1 3 394.527 3.798 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N2CCc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC001573876348 950672715 /nfs/dbraw/zinc/67/27/15/950672715.db2.gz LZXCGEAPNRHKSA-UHFFFAOYSA-N -1 3 396.426 3.778 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)N2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC001573876348 950672727 /nfs/dbraw/zinc/67/27/27/950672727.db2.gz LZXCGEAPNRHKSA-UHFFFAOYSA-N -1 3 396.426 3.778 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4C3)c2-c2nnn[n-]2)C1 ZINC001576214512 950675490 /nfs/dbraw/zinc/67/54/90/950675490.db2.gz BHUNTPXRSNXYIW-WFASDCNBSA-N -1 3 393.516 3.797 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4C3)c2-c2nn[n-]n2)C1 ZINC001576214512 950675496 /nfs/dbraw/zinc/67/54/96/950675496.db2.gz BHUNTPXRSNXYIW-WFASDCNBSA-N -1 3 393.516 3.797 20 0 GHADHM CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001575625359 950681784 /nfs/dbraw/zinc/68/17/84/950681784.db2.gz QRLBNKMZXXGZNY-SNVBAGLBSA-N -1 3 394.426 3.509 20 0 GHADHM CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001575625359 950681799 /nfs/dbraw/zinc/68/17/99/950681799.db2.gz QRLBNKMZXXGZNY-SNVBAGLBSA-N -1 3 394.426 3.509 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573881733 950754736 /nfs/dbraw/zinc/75/47/36/950754736.db2.gz GIVSXHZIDLMPMK-UHFFFAOYSA-N -1 3 375.476 3.686 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573881733 950754747 /nfs/dbraw/zinc/75/47/47/950754747.db2.gz GIVSXHZIDLMPMK-UHFFFAOYSA-N -1 3 375.476 3.686 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3(C(C)(F)F)CC3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576217422 950763863 /nfs/dbraw/zinc/76/38/63/950763863.db2.gz NPLWXHUHLBZOTQ-RKDXNWHRSA-N -1 3 381.452 3.988 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C3(C(C)(F)F)CC3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576217422 950763877 /nfs/dbraw/zinc/76/38/77/950763877.db2.gz NPLWXHUHLBZOTQ-RKDXNWHRSA-N -1 3 381.452 3.988 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573882094 950770527 /nfs/dbraw/zinc/77/05/27/950770527.db2.gz RUESXANEZPZOQD-UHFFFAOYSA-N -1 3 380.427 3.898 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573882094 950770541 /nfs/dbraw/zinc/77/05/41/950770541.db2.gz RUESXANEZPZOQD-UHFFFAOYSA-N -1 3 380.427 3.898 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](C4CCC4)CC3)c(-c3nnn[n-]3)cc2C1 ZINC001576218355 950786538 /nfs/dbraw/zinc/78/65/38/950786538.db2.gz RDEVXIAPOPGSJL-BPUTZDHNSA-N -1 3 394.523 3.932 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](C4CCC4)CC3)c(-c3nn[n-]n3)cc2C1 ZINC001576218355 950786550 /nfs/dbraw/zinc/78/65/50/950786550.db2.gz RDEVXIAPOPGSJL-BPUTZDHNSA-N -1 3 394.523 3.932 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3cn4ccccc4n3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576220302 950831926 /nfs/dbraw/zinc/83/19/26/950831926.db2.gz WZWNZZJDXFRVFN-QWRGUYRKSA-N -1 3 393.476 3.514 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3cn4ccccc4n3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576220302 950831950 /nfs/dbraw/zinc/83/19/50/950831950.db2.gz WZWNZZJDXFRVFN-QWRGUYRKSA-N -1 3 393.476 3.514 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576221007 950844096 /nfs/dbraw/zinc/84/40/96/950844096.db2.gz YTERVQXYEFXQCX-JYBZGJHDSA-N -1 3 398.467 3.800 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)C=Cc3cncc(F)c3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576221007 950844120 /nfs/dbraw/zinc/84/41/20/950844120.db2.gz YTERVQXYEFXQCX-JYBZGJHDSA-N -1 3 398.467 3.800 20 0 GHADHM CC(C)(CC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC001573899972 950992501 /nfs/dbraw/zinc/99/25/01/950992501.db2.gz MUPRXCSFGLRLQY-UHFFFAOYSA-N -1 3 387.846 3.643 20 0 GHADHM CC(C)(CC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC001573899972 950992525 /nfs/dbraw/zinc/99/25/25/950992525.db2.gz MUPRXCSFGLRLQY-UHFFFAOYSA-N -1 3 387.846 3.643 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC001575019752 951042691 /nfs/dbraw/zinc/04/26/91/951042691.db2.gz VLBSYYOIRJOYJS-VIFPVBQESA-N -1 3 394.237 3.846 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC001575019752 951042701 /nfs/dbraw/zinc/04/27/01/951042701.db2.gz VLBSYYOIRJOYJS-VIFPVBQESA-N -1 3 394.237 3.846 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1(CC)CC ZINC001591762199 951205420 /nfs/dbraw/zinc/20/54/20/951205420.db2.gz NCBQAKGJLKPLII-CGTJXYLNSA-N -1 3 378.513 3.654 20 0 GHADHM O=C([O-])CN1CCCC[C@H](NCc2ccc(-c3cccc(Cl)c3)s2)C1=O ZINC001595096591 951819391 /nfs/dbraw/zinc/81/93/91/951819391.db2.gz QERRVUBVDYRQHW-INIZCTEOSA-N -1 3 392.908 3.624 20 0 GHADHM O=C([O-])CN1CCCC[C@H](NCc2ccc(-c3ccc(Cl)cc3)s2)C1=O ZINC001595096817 951823365 /nfs/dbraw/zinc/82/33/65/951823365.db2.gz SNTCLIYMEUGSMI-INIZCTEOSA-N -1 3 392.908 3.624 20 0 GHADHM C[C@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1)N(C)c1ccccc1 ZINC001575116775 951973634 /nfs/dbraw/zinc/97/36/34/951973634.db2.gz IIPBTSHTFKERGT-LLVKDONJSA-N -1 3 394.376 3.961 20 0 GHADHM C[C@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC001575116775 951973638 /nfs/dbraw/zinc/97/36/38/951973638.db2.gz IIPBTSHTFKERGT-LLVKDONJSA-N -1 3 394.376 3.961 20 0 GHADHM C[C@@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1)Oc1ccccc1 ZINC001575118812 951986153 /nfs/dbraw/zinc/98/61/53/951986153.db2.gz TVZBTYWTEVNEFW-JTQLQIEISA-N -1 3 381.333 3.904 20 0 GHADHM C[C@@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1)Oc1ccccc1 ZINC001575118812 951986157 /nfs/dbraw/zinc/98/61/57/951986157.db2.gz TVZBTYWTEVNEFW-JTQLQIEISA-N -1 3 381.333 3.904 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001575190085 952461152 /nfs/dbraw/zinc/46/11/52/952461152.db2.gz RAZDGNIRSWRRCW-AUUYWEPGSA-N -1 3 392.459 3.891 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001575190085 952461160 /nfs/dbraw/zinc/46/11/60/952461160.db2.gz RAZDGNIRSWRRCW-AUUYWEPGSA-N -1 3 392.459 3.891 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001575191159 952466501 /nfs/dbraw/zinc/46/65/01/952466501.db2.gz XLSOHKDCRKBZET-LBPRGKRZSA-N -1 3 386.887 3.894 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001575191159 952466502 /nfs/dbraw/zinc/46/65/02/952466502.db2.gz XLSOHKDCRKBZET-LBPRGKRZSA-N -1 3 386.887 3.894 20 0 GHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC001589280575 953505409 /nfs/dbraw/zinc/50/54/09/953505409.db2.gz GJQMFIYLSGARCG-ONGXEEELSA-N -1 3 378.213 3.593 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cc3cc(Br)ccc3o1)O2 ZINC001594905734 954675023 /nfs/dbraw/zinc/67/50/23/954675023.db2.gz RZFQQVRJQJRZAM-HZEYSBKDSA-N -1 3 394.265 3.697 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000389806201 972247440 /nfs/dbraw/zinc/24/74/40/972247440.db2.gz BZQZNUIYBUPAQV-UGSOOPFHSA-N -1 3 387.867 3.680 20 0 GHADHM CC[C@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC001573804388 960843007 /nfs/dbraw/zinc/84/30/07/960843007.db2.gz RSLNYRJBSFHRKV-OAQYLSRUSA-N -1 3 395.503 3.662 20 0 GHADHM O=C([O-])[C@]1(NC(=O)c2ccc3ccccc3c2)CCCN(Cc2ccccc2)C1 ZINC001345063091 962221222 /nfs/dbraw/zinc/22/12/22/962221222.db2.gz SUKFCGDKSHOAQU-DEOSSOPVSA-N -1 3 388.467 3.689 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC001574134928 962561713 /nfs/dbraw/zinc/56/17/13/962561713.db2.gz ZPWPYOFCHJSOIZ-LJQANCHMSA-N -1 3 394.830 3.590 20 0 GHADHM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1Cl ZINC000312139474 963538521 /nfs/dbraw/zinc/53/85/21/963538521.db2.gz LHAVWHWFXTXTMO-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCCO[C@@H](c4ccccc4)C3)o2)C1 ZINC001605999272 973084691 /nfs/dbraw/zinc/08/46/91/973084691.db2.gz RWSOVPKUUMDOKP-UYAOXDASSA-N -1 3 384.476 3.544 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@H]1Oc1ccccc1 ZINC001625824213 1014208338 /nfs/dbraw/zinc/20/83/38/1014208338.db2.gz XQJFKSKLNPKGJV-LZLYRXPVSA-N -1 3 397.368 3.798 20 0 GHADHM COc1ccc(CN(Cc2oncc2C(=O)[O-])[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000568064633 974658095 /nfs/dbraw/zinc/65/80/95/974658095.db2.gz KSOCMDFUIRECHD-WMLDXEAASA-N -1 3 388.464 3.971 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001625849943 1014227324 /nfs/dbraw/zinc/22/73/24/1014227324.db2.gz QTXFIFLILUJVLI-JTQLQIEISA-N -1 3 376.790 3.821 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@H](c1ccccc1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591871384 976209220 /nfs/dbraw/zinc/20/92/20/976209220.db2.gz AIAQTVBMFUKARA-ACIOBRDBSA-N -1 3 394.515 3.663 20 0 GHADHM CC(C)c1n[nH]c(CC2CCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)n1 ZINC001592014319 976693782 /nfs/dbraw/zinc/69/37/82/976693782.db2.gz DBJDDKRDNZGJKG-QGZVFWFLSA-N -1 3 394.878 3.801 20 0 GHADHM CC(C)c1nc(CC2CCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)n[nH]1 ZINC001592014319 976693784 /nfs/dbraw/zinc/69/37/84/976693784.db2.gz DBJDDKRDNZGJKG-QGZVFWFLSA-N -1 3 394.878 3.801 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1csc(CC(=O)Nc2ccccc2C)n1 ZINC001595056878 979294656 /nfs/dbraw/zinc/29/46/56/979294656.db2.gz IRHZYBBOKPURQL-UHFFFAOYSA-N -1 3 389.521 3.756 20 0 GHADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2O[C@H](C)C(=O)[O-])C1 ZINC001595368711 980830397 /nfs/dbraw/zinc/83/03/97/980830397.db2.gz MZOLKRXKYQDMFB-OPAMFIHVSA-N -1 3 391.508 3.872 20 0 GHADHM CCCN(CC(=O)[O-])Cc1cc(Br)c(C)cc1Br ZINC001595856178 982787873 /nfs/dbraw/zinc/78/78/73/982787873.db2.gz JZZQVWMQCOJYEB-UHFFFAOYSA-N -1 3 379.092 3.817 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccco1 ZINC001594995516 982897522 /nfs/dbraw/zinc/89/75/22/982897522.db2.gz ZOOFNFFUUOKDQN-ZUZCIYMTSA-N -1 3 381.379 3.507 20 0 GHADHM CCCN(Cc1cc(C(=O)[O-])ccc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595885825 982909879 /nfs/dbraw/zinc/90/98/79/982909879.db2.gz IEPGLCMINOXATF-KRWDZBQOSA-N -1 3 392.496 3.615 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccsc1 ZINC001596254104 983660548 /nfs/dbraw/zinc/66/05/48/983660548.db2.gz AREMFLWNDAEMDB-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccsc1 ZINC001596254430 983663089 /nfs/dbraw/zinc/66/30/89/983663089.db2.gz NLHGQSJROJOKJR-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cnc2cc(Br)ccc2c1 ZINC001154444915 1032109254 /nfs/dbraw/zinc/10/92/54/1032109254.db2.gz NGBKDHKDZDWAJB-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001589469412 986942052 /nfs/dbraw/zinc/94/20/52/986942052.db2.gz LGMOMJGUNYGIHJ-GTNSWQLSSA-N -1 3 381.259 3.984 20 0 GHADHM CCS[C@H]1CCC[C@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001597258800 987273151 /nfs/dbraw/zinc/27/31/51/987273151.db2.gz VMCMEKBFBCSZMH-HIFRSBDPSA-N -1 3 388.327 3.920 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC001589611942 987470361 /nfs/dbraw/zinc/47/03/61/987470361.db2.gz JLRSPZHWNZELOD-WBMJQRKESA-N -1 3 399.318 3.922 20 0 GHADHM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001589650915 987598977 /nfs/dbraw/zinc/59/89/77/987598977.db2.gz OVWVQQKTMHCPBK-SFHVURJKSA-N -1 3 381.472 3.866 20 0 GHADHM CS[C@@H]1CC[C@H](N(C)Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001599787763 987953167 /nfs/dbraw/zinc/95/31/67/987953167.db2.gz HPPQXCBZHKFBAE-WDEREUQCSA-N -1 3 398.326 3.670 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC001597513624 988114296 /nfs/dbraw/zinc/11/42/96/988114296.db2.gz YYZCITKSFAVMFJ-QGZVFWFLSA-N -1 3 391.418 3.650 20 0 GHADHM CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)C1 ZINC001589806513 988230484 /nfs/dbraw/zinc/23/04/84/988230484.db2.gz QEXJMTJZLPCZKS-PGRDOPGGSA-N -1 3 386.467 3.684 20 0 GHADHM CCc1ccc2c(c1)[C@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CCO2 ZINC001597569157 988330929 /nfs/dbraw/zinc/33/09/29/988330929.db2.gz RFEPGHMGVUYDMP-AUUYWEPGSA-N -1 3 382.460 3.778 20 0 GHADHM CCc1nc(C2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)n[nH]1 ZINC001597664047 988746973 /nfs/dbraw/zinc/74/69/73/988746973.db2.gz XXPXUULUSLZARQ-HNNXBMFYSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1n[nH]c(C2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)n1 ZINC001597664047 988746988 /nfs/dbraw/zinc/74/69/88/988746988.db2.gz XXPXUULUSLZARQ-HNNXBMFYSA-N -1 3 383.279 3.679 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1csc(C(=O)[O-])c1)C2 ZINC001590003676 988933673 /nfs/dbraw/zinc/93/36/73/988933673.db2.gz LMRRQVGHCHHOQB-IBGZPJMESA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(CNCc3c[nH]c(C(=O)[O-])c3)ccc21 ZINC001590051947 989083244 /nfs/dbraw/zinc/08/32/44/989083244.db2.gz SREWPURHJDPWSZ-UHFFFAOYSA-N -1 3 385.464 3.690 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001597767365 989218602 /nfs/dbraw/zinc/21/86/02/989218602.db2.gz KIMSUAYAEZIDGJ-BEFAXECRSA-N -1 3 396.409 3.883 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CCNCc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC001590124165 989347492 /nfs/dbraw/zinc/34/74/92/989347492.db2.gz HCECBNLPDPVWAW-QGZVFWFLSA-N -1 3 388.464 3.594 20 0 GHADHM CCc1oc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)cc1C(=O)[O-] ZINC001597796963 989357608 /nfs/dbraw/zinc/35/76/08/989357608.db2.gz TVPVIZFFQDHXDX-XJKSGUPXSA-N -1 3 380.485 3.665 20 0 GHADHM CC(C)(C[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1)C(N)=O ZINC001590654598 990347954 /nfs/dbraw/zinc/34/79/54/990347954.db2.gz REKOWVZIVVOSHR-ABAIWWIYSA-N -1 3 387.307 3.733 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598229121 990926069 /nfs/dbraw/zinc/92/60/69/990926069.db2.gz WWTXJMVJPMWGFR-UHFFFAOYSA-N -1 3 389.883 3.563 20 0 GHADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001598524123 992696742 /nfs/dbraw/zinc/69/67/42/992696742.db2.gz XWWBNJXVMCHXRX-UHFFFAOYSA-N -1 3 385.460 3.737 20 0 GHADHM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001598534577 992836741 /nfs/dbraw/zinc/83/67/41/992836741.db2.gz ZKFXAEUJVBKMOW-OAQYLSRUSA-N -1 3 391.471 3.746 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000545384930 1015829266 /nfs/dbraw/zinc/82/92/66/1015829266.db2.gz IAAOFEBIUCIFIN-HNNXBMFYSA-N -1 3 387.892 3.733 20 0 GHADHM COc1cccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)co2)c1 ZINC001599638517 994324016 /nfs/dbraw/zinc/32/40/16/994324016.db2.gz AFXJBWBEUAERSI-WOJBJXKFSA-N -1 3 378.428 3.650 20 0 GHADHM C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(F)c2ccccc21 ZINC001593230405 994361531 /nfs/dbraw/zinc/36/15/31/994361531.db2.gz IBHAIMFBBMNJJO-CQSZACIVSA-N -1 3 380.419 3.991 20 0 GHADHM C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)[O-] ZINC001593245672 994438193 /nfs/dbraw/zinc/43/81/93/994438193.db2.gz AHVVDLZQOIHSCQ-BDJLRTHQSA-N -1 3 384.259 3.841 20 0 GHADHM C[C@@](NCC[S@](=O)c1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593271240 994601240 /nfs/dbraw/zinc/60/12/40/994601240.db2.gz GEEJPIRCRKLDOC-XDHUDOTRSA-N -1 3 386.300 3.691 20 0 GHADHM C[C@@](NCc1ccc(OCc2ccccn2)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298506 994715514 /nfs/dbraw/zinc/71/55/14/994715514.db2.gz JZNHBICUNYGWGA-QFIPXVFZSA-N -1 3 380.419 3.889 20 0 GHADHM C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cc(C(=O)[O-])cs1 ZINC001593305381 994762387 /nfs/dbraw/zinc/76/23/87/994762387.db2.gz YUCCZLVYHWPXTQ-CYBMUJFWSA-N -1 3 381.457 3.944 20 0 GHADHM C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593316656 994812318 /nfs/dbraw/zinc/81/23/18/994812318.db2.gz JBHIZNLSCRLQBC-LAUBAEHRSA-N -1 3 389.499 3.783 20 0 GHADHM C[C@H](Oc1ccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1)C(=O)[O-] ZINC001593615898 995839897 /nfs/dbraw/zinc/83/98/97/995839897.db2.gz SJGXTLXUJPWQJS-LIRRHRJNSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@H](Oc1ccccc1CN1CCC(Cc2nc(C3CCC3)no2)CC1)C(=O)[O-] ZINC001593643942 995955992 /nfs/dbraw/zinc/95/59/92/995955992.db2.gz BKKUJXSMEUEQPQ-HNNXBMFYSA-N -1 3 399.491 3.644 20 0 GHADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468758487 1016001358 /nfs/dbraw/zinc/00/13/58/1016001358.db2.gz AKXFPMLVYJWKBQ-UHFFFAOYSA-N -1 3 388.439 3.593 20 0 GHADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001593699554 996171119 /nfs/dbraw/zinc/17/11/19/996171119.db2.gz OCEWFGREBPDELR-ASHKIFAZSA-N -1 3 382.485 3.863 20 0 GHADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nc(-c2cccnc2)no1 ZINC000468766692 1016012078 /nfs/dbraw/zinc/01/20/78/1016012078.db2.gz AUCRJNMLUIHTQS-IBGZPJMESA-N -1 3 398.438 3.813 20 0 GHADHM COC[C@@H](NCCOc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599177593 996880268 /nfs/dbraw/zinc/88/02/68/996880268.db2.gz QOUZOIPDUKBLPH-MRXNPFEDSA-N -1 3 383.366 3.760 20 0 GHADHM COc1cc(CN2CCC[C@@H](CF)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407519 997350416 /nfs/dbraw/zinc/35/04/16/997350416.db2.gz MVQGHPQRIXKSML-HNNXBMFYSA-N -1 3 377.412 3.747 20 0 GHADHM CO[C@@H]1CCC[C@@H]([C@H](NCc2csc(CCc3ccccc3)n2)C(=O)[O-])C1 ZINC001599113313 997609071 /nfs/dbraw/zinc/60/90/71/997609071.db2.gz PRVAKWFEHPLRDJ-POAQFYNOSA-N -1 3 388.533 3.676 20 0 GHADHM COc1ccc([C@@H](O)C2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)cc1 ZINC001599532346 997678487 /nfs/dbraw/zinc/67/84/87/997678487.db2.gz QGUNOJFTFSFROG-VQTJNVASSA-N -1 3 389.879 3.920 20 0 GHADHM CO[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)C1 ZINC001599123704 997792389 /nfs/dbraw/zinc/79/23/89/997792389.db2.gz NMEYKUHDTUIENZ-BXUZGUMPSA-N -1 3 398.290 3.877 20 0 GHADHM COc1cc(NC2CCN(Cc3ccc(C)c(C(=O)[O-])c3)CC2)cc(OC)c1 ZINC001599443129 997962985 /nfs/dbraw/zinc/96/29/85/997962985.db2.gz QGKDZDYPQFPTJO-UHFFFAOYSA-N -1 3 384.476 3.787 20 0 GHADHM COc1cc(-c2nc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)cs2)ccc1O ZINC001599347256 998029717 /nfs/dbraw/zinc/02/97/17/998029717.db2.gz VBOMCNMYWUJQNV-RYUDHWBXSA-N -1 3 376.478 3.598 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC001599451315 998107718 /nfs/dbraw/zinc/10/77/18/998107718.db2.gz BGRWZCWXEDWADT-LJQANCHMSA-N -1 3 391.414 3.929 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(OC)c(OC)c2C)C(=O)[O-])c1 ZINC001599452079 998121410 /nfs/dbraw/zinc/12/14/10/998121410.db2.gz DMGDNAMIRNWTJZ-BFUOFWGJSA-N -1 3 389.448 3.506 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(OC)c(OC)c2C)C(=O)[O-])c1 ZINC001599452082 998121710 /nfs/dbraw/zinc/12/17/10/998121710.db2.gz DMGDNAMIRNWTJZ-DJJJIMSYSA-N -1 3 389.448 3.506 20 0 GHADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC001599258698 998349475 /nfs/dbraw/zinc/34/94/75/998349475.db2.gz JNUXSGFKTVFCMM-KRWDZBQOSA-N -1 3 384.259 3.934 20 0 GHADHM COc1ccc(-c2nc(CN[C@@H](C)[C@@H](Cc3ccccc3)C(=O)[O-])co2)cc1 ZINC001599469788 998430659 /nfs/dbraw/zinc/43/06/59/998430659.db2.gz KCRWLBOZJMVLSQ-MGPUTAFESA-N -1 3 380.444 3.772 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)co2)cc1 ZINC001599470127 998436927 /nfs/dbraw/zinc/43/69/27/998436927.db2.gz ZBVKCVIHOXZZCH-VQTJNVASSA-N -1 3 378.428 3.650 20 0 GHADHM COC(=O)c1cccc([C@@H](N[C@@H](C)c2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC001598995472 998775674 /nfs/dbraw/zinc/77/56/74/998775674.db2.gz LKRMUOZVFWNADO-MEDUHNTESA-N -1 3 381.350 3.969 20 0 GHADHM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300946 999162220 /nfs/dbraw/zinc/16/22/20/999162220.db2.gz YPLIUBNYSVIDRI-FLMCSSBNSA-N -1 3 387.307 3.671 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000469054577 1016382332 /nfs/dbraw/zinc/38/23/32/1016382332.db2.gz QTLWWSZVNRBQLC-AWEZNQCLSA-N -1 3 383.423 3.705 20 0 GHADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1N1CCCC1=O ZINC000469074931 1016422117 /nfs/dbraw/zinc/42/21/17/1016422117.db2.gz ROSOKTLQSCIIJD-UHFFFAOYSA-N -1 3 386.423 3.628 20 0 GHADHM CCOc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc(Cl)c1[O-] ZINC000545853539 1016522748 /nfs/dbraw/zinc/52/27/48/1016522748.db2.gz GSETWUWZKIODHM-UHFFFAOYSA-N -1 3 380.916 3.781 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(F)(F)F ZINC000469145046 1016554942 /nfs/dbraw/zinc/55/49/42/1016554942.db2.gz RFIHRGSVIRYZEN-JTQLQIEISA-N -1 3 385.835 3.996 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000470489552 1016796841 /nfs/dbraw/zinc/79/68/41/1016796841.db2.gz IVEBAUXQEMPYTP-WDEREUQCSA-N -1 3 378.416 3.842 20 0 GHADHM CCc1nc(CC[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)cs1 ZINC000470602983 1016830689 /nfs/dbraw/zinc/83/06/89/1016830689.db2.gz VLQRDAJXZWBRKS-UHFFFAOYSA-N -1 3 384.910 3.935 20 0 GHADHM CCc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccccc1OC ZINC000470609772 1016834774 /nfs/dbraw/zinc/83/47/74/1016834774.db2.gz IOSRYAWCXWDKTN-UHFFFAOYSA-N -1 3 387.443 3.508 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000557849897 1017058907 /nfs/dbraw/zinc/05/89/07/1017058907.db2.gz SCCOIUGGGYWDIT-BDAKNGLRSA-N -1 3 390.196 3.637 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3Cc4cc(Br)cnc4C3)c2c1 ZINC001154530268 1032167268 /nfs/dbraw/zinc/16/72/68/1032167268.db2.gz CGNGKTGLMQYTTF-UHFFFAOYSA-N -1 3 384.233 3.562 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3C[C@@H]4C[C@H](C3)c3cc5nccnc5cc34)c2c1 ZINC001154530682 1032166746 /nfs/dbraw/zinc/16/67/46/1032166746.db2.gz SMHOGIWUMPSSOK-GASCZTMLSA-N -1 3 396.450 3.919 20 0 GHADHM Cc1ccc(C(=O)[C@H](Oc2[n-]c(=O)nc3nccnc32)c2ccc(C)cc2)cc1 ZINC001226992094 1032224942 /nfs/dbraw/zinc/22/49/42/1032224942.db2.gz QSEORNJSCZBPPN-LJQANCHMSA-N -1 3 386.411 3.745 20 0 GHADHM COc1ccc2cc([O-])c(C(=O)N3CC[C@@H](Oc4ccncc4C)C3)cc2c1 ZINC001154754126 1032271719 /nfs/dbraw/zinc/27/17/19/1032271719.db2.gz RMHFOVFJNRUQSZ-GOSISDBHSA-N -1 3 378.428 3.551 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1noc2cc(Br)ccc21 ZINC001154901689 1032335681 /nfs/dbraw/zinc/33/56/81/1032335681.db2.gz JBWHFFRSWSVLBY-UHFFFAOYSA-N -1 3 375.178 3.751 20 0 GHADHM FC(F)(F)c1ccc(CCNC(F)(F)c2cc(Cl)nc(=S)[n-]2)cn1 ZINC001155146089 1032434391 /nfs/dbraw/zinc/43/43/91/1032434391.db2.gz SKURJPWSTLXKPD-UHFFFAOYSA-N -1 3 384.761 3.714 20 0 GHADHM C[C@H]1C[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227585468 1032474118 /nfs/dbraw/zinc/47/41/18/1032474118.db2.gz CMQXAEJIJYLWCC-CMPLNLGQSA-N -1 3 376.375 3.973 20 0 GHADHM O=C(NCCc1ccc2ncccc2c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001155337315 1032508783 /nfs/dbraw/zinc/50/87/83/1032508783.db2.gz KFFDCJGTKFPOOE-UHFFFAOYSA-N -1 3 377.831 3.702 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@H]2CCCc3c(Br)cccc32)n1 ZINC001227826898 1032636362 /nfs/dbraw/zinc/63/63/62/1032636362.db2.gz VSEJBCBABHQWDZ-HNNXBMFYSA-N -1 3 378.222 3.793 20 0 GHADHM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)CCc3cccs3)cc2)n1 ZINC000558586808 1017235558 /nfs/dbraw/zinc/23/55/58/1017235558.db2.gz OFGXBBUIPHPTQJ-UHFFFAOYSA-N -1 3 377.491 3.906 20 0 GHADHM CCC(NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)(C1CC1)C1CC1 ZINC000626317320 1017411789 /nfs/dbraw/zinc/41/17/89/1017411789.db2.gz QBTNOUJPEDOCHQ-UHFFFAOYSA-N -1 3 395.525 3.547 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccccc1Br ZINC000561245759 1017820274 /nfs/dbraw/zinc/82/02/74/1017820274.db2.gz LTXRFCXDANKNEP-UHFFFAOYSA-N -1 3 394.294 3.694 20 0 GHADHM O=C(Nc1cc(-c2cccc(Cl)c2)on1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001204282328 1032725480 /nfs/dbraw/zinc/72/54/80/1032725480.db2.gz DKOMMVWIWGYVQU-UHFFFAOYSA-N -1 3 395.810 3.743 20 0 GHADHM O=C(Nc1cc(-c2cccc(Cl)c2)on1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001204282328 1032725493 /nfs/dbraw/zinc/72/54/93/1032725493.db2.gz DKOMMVWIWGYVQU-UHFFFAOYSA-N -1 3 395.810 3.743 20 0 GHADHM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562733434 1018583615 /nfs/dbraw/zinc/58/36/15/1018583615.db2.gz AKLXVEOMYYLDNL-OCCSQVGLSA-N -1 3 389.293 3.847 20 0 GHADHM CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H]1CC1(C)C ZINC000562778495 1018629002 /nfs/dbraw/zinc/62/90/02/1018629002.db2.gz PKFKQROIQGWKAN-QWHCGFSZSA-N -1 3 377.282 3.845 20 0 GHADHM O=C(Nc1nc(-c2cccnc2)cs1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000562865379 1018725275 /nfs/dbraw/zinc/72/52/75/1018725275.db2.gz NGFLVIUUKQFVGT-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM C[C@@]1(Cc2cc(Cl)cs2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000932918191 1018750991 /nfs/dbraw/zinc/75/09/91/1018750991.db2.gz GIJFLXKBBSDDCA-SFHVURJKSA-N -1 3 379.913 3.567 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2OC2CCN(C3CC3)CC2)c([O-])c1 ZINC001228116609 1032792517 /nfs/dbraw/zinc/79/25/17/1032792517.db2.gz XRHPDOOMAVJQIB-UHFFFAOYSA-N -1 3 397.471 3.646 20 0 GHADHM O=C(Nc1csc2ccccc12)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000778722813 1019518131 /nfs/dbraw/zinc/51/81/31/1019518131.db2.gz WTFRTKCJJXKULC-UHFFFAOYSA-N -1 3 390.461 3.733 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@@H]3CCCC3(F)F)n2)cc1 ZINC000569919257 1019536097 /nfs/dbraw/zinc/53/60/97/1019536097.db2.gz UWHHOGUCSKHFEK-WFASDCNBSA-N -1 3 399.463 3.715 20 0 GHADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)s1 ZINC000570210002 1019570737 /nfs/dbraw/zinc/57/07/37/1019570737.db2.gz WQKKTFXPKGWFDN-UHFFFAOYSA-N -1 3 375.429 3.510 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ncc(-c4ccccn4)s3)c[n-]c12 ZINC000570806678 1019642196 /nfs/dbraw/zinc/64/21/96/1019642196.db2.gz NKAVPUHDIWYAJQ-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM O=C(NCC1(CO)CC2(CCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001156033707 1032849943 /nfs/dbraw/zinc/84/99/43/1032849943.db2.gz SQMSOHWQRLHOPZ-UHFFFAOYSA-N -1 3 379.500 3.850 20 0 GHADHM COc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1Cl ZINC001156093523 1032873773 /nfs/dbraw/zinc/87/37/73/1032873773.db2.gz YASOGPCSNYUMQN-UHFFFAOYSA-N -1 3 389.260 3.626 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346272 1032899904 /nfs/dbraw/zinc/89/99/04/1032899904.db2.gz CSOSVVUTOQLLGN-JYJNAYRXSA-N -1 3 392.521 3.656 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346271 1032900113 /nfs/dbraw/zinc/90/01/13/1032900113.db2.gz CSOSVVUTOQLLGN-HRCADAONSA-N -1 3 392.521 3.656 20 0 GHADHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000191466490 1020769942 /nfs/dbraw/zinc/76/99/42/1020769942.db2.gz QPKRBAAMSQKMOK-AWEZNQCLSA-N -1 3 378.404 3.740 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC001156285379 1032958174 /nfs/dbraw/zinc/95/81/74/1032958174.db2.gz VCSSTVQKXGHRQO-LBPRGKRZSA-N -1 3 385.880 3.936 20 0 GHADHM C[C@H](NC(=O)CCc1cccc2ccccc21)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273591 1021298391 /nfs/dbraw/zinc/29/83/91/1021298391.db2.gz WYSQZMWRCPBLFG-HOTGVXAUSA-N -1 3 391.471 3.653 20 0 GHADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900353028 1021312171 /nfs/dbraw/zinc/31/21/71/1021312171.db2.gz MPMMQJQCXOPZHG-UHFFFAOYSA-N -1 3 390.281 3.873 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140421475 1021645006 /nfs/dbraw/zinc/64/50/06/1021645006.db2.gz XRKBLONLHUGVKY-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001228623935 1033014037 /nfs/dbraw/zinc/01/40/37/1033014037.db2.gz VPKIWKSMDIXBRP-HIFRSBDPSA-N -1 3 393.411 3.533 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCC[C@@]1(O)C(F)(F)F ZINC001140547700 1021948982 /nfs/dbraw/zinc/94/89/82/1021948982.db2.gz KKQHLAYOEXMXNC-HZMBPMFUSA-N -1 3 382.220 3.680 20 0 GHADHM [O-]c1cccc(CN2CCN(c3noc4ccccc43)CC2)c1Br ZINC001140547900 1021949276 /nfs/dbraw/zinc/94/92/76/1021949276.db2.gz UFYNXEOMWTYOHU-UHFFFAOYSA-N -1 3 388.265 3.618 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2Br)CC12CC2 ZINC001140550032 1021951673 /nfs/dbraw/zinc/95/16/73/1021951673.db2.gz CAPAGAWJBWYNIS-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM O=C(N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001140567967 1021984755 /nfs/dbraw/zinc/98/47/55/1021984755.db2.gz WGRDNQUNSUYONA-IAGOWNOFSA-N -1 3 396.882 3.761 20 0 GHADHM O=C(N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001140567967 1021984757 /nfs/dbraw/zinc/98/47/57/1021984757.db2.gz WGRDNQUNSUYONA-IAGOWNOFSA-N -1 3 396.882 3.761 20 0 GHADHM C[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C2(CC2)C1 ZINC001156425064 1033028313 /nfs/dbraw/zinc/02/83/13/1033028313.db2.gz KEVHBRNCUZLZNF-GFCCVEGCSA-N -1 3 379.432 3.539 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc(OC)c1[O-] ZINC000754275203 1022577182 /nfs/dbraw/zinc/57/71/82/1022577182.db2.gz HQYNJMIQYXWAQW-LBPRGKRZSA-N -1 3 384.388 3.686 20 0 GHADHM COc1cc(C(=O)OCc2ccccc2OCC(F)(F)F)cc(OC)c1[O-] ZINC000754279293 1022579925 /nfs/dbraw/zinc/57/99/25/1022579925.db2.gz HVGZGOBAWPAJMO-UHFFFAOYSA-N -1 3 386.322 3.708 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3ccc([O-])c(F)c3F)CC2)C1 ZINC001140888791 1022803547 /nfs/dbraw/zinc/80/35/47/1022803547.db2.gz XMLHPBWUKAZNOO-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1 ZINC001140888262 1022804996 /nfs/dbraw/zinc/80/49/96/1022804996.db2.gz AZKDBFBDYNOICR-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941395 1022933224 /nfs/dbraw/zinc/93/32/24/1022933224.db2.gz JAOSSOCPPVHIHQ-UHFFFAOYSA-N -1 3 395.890 3.794 20 0 GHADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000755113612 1023079063 /nfs/dbraw/zinc/07/90/63/1023079063.db2.gz LWYMHCQNEFUTEF-DTWKUNHWSA-N -1 3 384.748 3.665 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990501 1023103142 /nfs/dbraw/zinc/10/31/42/1023103142.db2.gz CNLJQLQOVGLPAU-OALUTQOASA-N -1 3 375.415 3.982 20 0 GHADHM O=C1C(=Cc2ccc([O-])c(F)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000755406390 1023234555 /nfs/dbraw/zinc/23/45/55/1023234555.db2.gz LKKRNCCZQRQUTB-JYRVWZFOSA-N -1 3 398.337 3.692 20 0 GHADHM CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc([O-])c(F)c1 ZINC000755880936 1023417554 /nfs/dbraw/zinc/41/75/54/1023417554.db2.gz BRHHYLJUUPKPBZ-QGZVFWFLSA-N -1 3 390.436 3.696 20 0 GHADHM CC(C)c1ncsc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000836975196 1023536406 /nfs/dbraw/zinc/53/64/06/1023536406.db2.gz CYJPHZOOMNKFKD-UHFFFAOYSA-N -1 3 399.513 3.735 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)[C@H](F)C1 ZINC001228858438 1033142017 /nfs/dbraw/zinc/14/20/17/1033142017.db2.gz QVWVUSUUADRYKG-RHSMWYFYSA-N -1 3 379.428 3.638 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228858548 1033142093 /nfs/dbraw/zinc/14/20/93/1033142093.db2.gz SNVKGCGXUQAPPT-UGSOOPFHSA-N -1 3 375.465 3.936 20 0 GHADHM COc1c(C)cc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000756377903 1023617922 /nfs/dbraw/zinc/61/79/22/1023617922.db2.gz ADWKBOOKLXKIQI-FQEVSTJZSA-N -1 3 379.460 3.803 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cc1CC ZINC000756936565 1023875462 /nfs/dbraw/zinc/87/54/62/1023875462.db2.gz PRZNCOBWWKRWRW-UHFFFAOYSA-N -1 3 388.489 3.877 20 0 GHADHM COC(=O)CC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000756972238 1023892871 /nfs/dbraw/zinc/89/28/71/1023892871.db2.gz MJUXPXXKSSNABE-OAHLLOKOSA-N -1 3 383.341 3.867 20 0 GHADHM COC(=O)[C@@H](C)[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757048547 1023919250 /nfs/dbraw/zinc/91/92/50/1023919250.db2.gz XQUGWSIPVMWBFT-ZBEGNZNMSA-N -1 3 383.341 3.723 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc([O-])c(F)c3F)C[C@@H]21 ZINC001204953052 1033182487 /nfs/dbraw/zinc/18/24/87/1033182487.db2.gz SKEREXGVBCBAKM-VHDGCEQUSA-N -1 3 382.451 3.796 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc([O-])c4ccccc4c3)[C@@H]2C1 ZINC000837142627 1024134152 /nfs/dbraw/zinc/13/41/52/1024134152.db2.gz PLICOGQAZFOIIL-MAUKXSAKSA-N -1 3 382.460 3.627 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c1 ZINC000837154987 1024157584 /nfs/dbraw/zinc/15/75/84/1024157584.db2.gz KVFJIENVEKBGOT-QGZVFWFLSA-N -1 3 378.266 3.523 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958166 1033199273 /nfs/dbraw/zinc/19/92/73/1033199273.db2.gz JDKUZXFIHITWCM-JYJNAYRXSA-N -1 3 382.497 3.942 20 0 GHADHM Cc1ccc(N2CCC(Oc3cc(O)cc([O-])c3Br)CC2)nc1 ZINC001229096769 1033276530 /nfs/dbraw/zinc/27/65/30/1033276530.db2.gz JKRXGLMERVPDFI-UHFFFAOYSA-N -1 3 379.254 3.612 20 0 GHADHM O=Cc1ccc(F)c(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC001161900066 1025481242 /nfs/dbraw/zinc/48/12/42/1025481242.db2.gz IOFDYGUAXGRZNK-UHFFFAOYSA-N -1 3 391.811 3.974 20 0 GHADHM COC(=O)c1ccc2c(c1)[C@@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)CCC2 ZINC001161931140 1025501544 /nfs/dbraw/zinc/50/15/44/1025501544.db2.gz DBWCGMSHAMNASI-LBPRGKRZSA-N -1 3 399.850 3.922 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1N1CCOCC1 ZINC001141623213 1025932137 /nfs/dbraw/zinc/93/21/37/1025932137.db2.gz YOZCIHLBCNFYSE-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM CCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cnn1C(CC)CC ZINC001162885173 1025953907 /nfs/dbraw/zinc/95/39/07/1025953907.db2.gz GVFODXVILHYHHG-UHFFFAOYSA-N -1 3 375.473 3.737 20 0 GHADHM CCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cnn1C(CC)CC ZINC001162885173 1025953910 /nfs/dbraw/zinc/95/39/10/1025953910.db2.gz GVFODXVILHYHHG-UHFFFAOYSA-N -1 3 375.473 3.737 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1cc(Br)ccn1 ZINC000832849889 1026033180 /nfs/dbraw/zinc/03/31/80/1026033180.db2.gz COVYXGKLTVOVRD-UHFFFAOYSA-N -1 3 385.208 3.651 20 0 GHADHM COc1cccc([C@H]2CCCN(Cc3cccc(OC)c3OCC(=O)[O-])C2)c1 ZINC001139270849 1026116885 /nfs/dbraw/zinc/11/68/85/1026116885.db2.gz KGYIHYZIIKHYNZ-KRWDZBQOSA-N -1 3 385.460 3.547 20 0 GHADHM CCc1c([N-]C(=O)C(=O)c2ccc(Br)s2)onc1C(F)(F)F 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397.081 3.733 20 0 GHADHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001210292313 1027430037 /nfs/dbraw/zinc/43/00/37/1027430037.db2.gz UUZHNVAVVKFIOZ-ABAIWWIYSA-N -1 3 388.942 3.679 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCCC2 ZINC001210373507 1027476347 /nfs/dbraw/zinc/47/63/47/1027476347.db2.gz YFEDPEFJWCUFSE-LSDHHAIUSA-N -1 3 395.418 3.861 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@@H]2C)cc1F ZINC001210420021 1027500208 /nfs/dbraw/zinc/50/02/08/1027500208.db2.gz VDLLLCJQPVXFDE-XTZNXHDOSA-N -1 3 385.407 3.714 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCSCC(C)C ZINC001211011620 1027751189 /nfs/dbraw/zinc/75/11/89/1027751189.db2.gz WHZLXENBCQOSKH-UHFFFAOYSA-N -1 3 386.402 3.877 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc(C(F)(F)F)ccc1F ZINC001211102541 1027789812 /nfs/dbraw/zinc/78/98/12/1027789812.db2.gz INVILDZYOKAHLS-IAOVAPTHSA-N -1 3 385.382 3.851 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1sc(Br)cc1C)OC ZINC001211117211 1027795443 /nfs/dbraw/zinc/79/54/43/1027795443.db2.gz BJUKSHLWCSFPKM-GFCCVEGCSA-N -1 3 398.388 3.939 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C[C@H]1OC ZINC001211180746 1027826151 /nfs/dbraw/zinc/82/61/51/1027826151.db2.gz YQUKUVWPYVBHQG-CHWSQXEVSA-N -1 3 388.942 3.822 20 0 GHADHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC1CCCCC1 ZINC001211456375 1027969458 /nfs/dbraw/zinc/96/94/58/1027969458.db2.gz YYOGFCFKYDRJBK-ICSRJNTNSA-N -1 3 393.549 3.538 20 0 GHADHM COC(=O)[C@H](C)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001142062232 1027994824 /nfs/dbraw/zinc/99/48/24/1027994824.db2.gz DHTGCKISGRCJFA-LLVKDONJSA-N -1 3 384.819 3.710 20 0 GHADHM Cc1cncc(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)c1 ZINC001213129531 1028008496 /nfs/dbraw/zinc/00/84/96/1028008496.db2.gz IPBOSWKOBLUAME-UHFFFAOYSA-N -1 3 378.338 3.722 20 0 GHADHM CN(C)[C@H]1CCOc2c(Nc3ccc(NC(=O)CCC(=O)[O-])cc3)cccc21 ZINC001213196125 1028040697 /nfs/dbraw/zinc/04/06/97/1028040697.db2.gz ACKWSPXCNLEHRK-SFHVURJKSA-N -1 3 383.448 3.619 20 0 GHADHM COc1c(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cccc1C(F)(F)F ZINC001213258670 1028074676 /nfs/dbraw/zinc/07/46/76/1028074676.db2.gz AJJLAFGMPVBMNB-UHFFFAOYSA-N -1 3 378.310 3.804 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(-c3ccccc3)c2)cc1F ZINC001213306413 1028098976 /nfs/dbraw/zinc/09/89/76/1028098976.db2.gz JWGUKFYKDBGRLP-UHFFFAOYSA-N -1 3 390.411 3.514 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(Cl)c1 ZINC001142105475 1028114672 /nfs/dbraw/zinc/11/46/72/1028114672.db2.gz BJXFREAHZCLYGN-QWHCGFSZSA-N -1 3 376.177 3.926 20 0 GHADHM CCOC(=O)c1nc2c(s1)CN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142118750 1028170053 /nfs/dbraw/zinc/17/00/53/1028170053.db2.gz ZAUTUDDPCKYNES-UHFFFAOYSA-N -1 3 387.288 3.891 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)c1cc2ccccc2s1)C1CCCCC1 ZINC001213456232 1028201589 /nfs/dbraw/zinc/20/15/89/1028201589.db2.gz ISKUWDOEPHGFLI-KRWDZBQOSA-N -1 3 395.546 3.599 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)c(F)cc1Br ZINC001213807638 1028385474 /nfs/dbraw/zinc/38/54/74/1028385474.db2.gz FZHJGWKVYLGHFT-MRXNPFEDSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Br)cc2F)c(F)cc1F ZINC001213971209 1028480557 /nfs/dbraw/zinc/48/05/57/1028480557.db2.gz ODWPUFZHZVPAHH-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3F)no2)[n-]1 ZINC001213974785 1028483473 /nfs/dbraw/zinc/48/34/73/1028483473.db2.gz APNKRMABQHECGH-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(Br)c3C)no2)[n-]1 ZINC001213974929 1028483929 /nfs/dbraw/zinc/48/39/29/1028483929.db2.gz IHWFSOBLTBUNNS-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)co2)c(-c2ccccc2)s1 ZINC001213996544 1028500392 /nfs/dbraw/zinc/50/03/92/1028500392.db2.gz XMQNKCVSUBMMKN-UHFFFAOYSA-N -1 3 391.518 3.883 20 0 GHADHM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001142443753 1028930472 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C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)c1 ZINC001142860975 1029597464 /nfs/dbraw/zinc/59/74/64/1029597464.db2.gz PNGSOZZLIAFIBN-JOCHJYFZSA-N -1 3 382.435 3.893 20 0 GHADHM N#Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Br)c1 ZINC000319504073 1029909437 /nfs/dbraw/zinc/90/94/37/1029909437.db2.gz MJYUUABTGVESAP-UHFFFAOYSA-N -1 3 396.653 3.647 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(F)c(I)c(F)c2)c([O-])c1 ZINC001143235839 1029933778 /nfs/dbraw/zinc/93/37/78/1029933778.db2.gz SGYCBTSMKHNAFA-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2cccc(OCCO)c2[O-])n1 ZINC001216959481 1030033103 /nfs/dbraw/zinc/03/31/03/1030033103.db2.gz RFTVJAOWSVQZEO-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3c([O-])ccc4ccccc43)n2)cc1 ZINC001217412238 1030376194 /nfs/dbraw/zinc/37/61/94/1030376194.db2.gz QXMAUIFRYYQIEY-UHFFFAOYSA-N -1 3 375.384 3.896 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5scnc5c4)no3)[n-]nc21 ZINC001217470766 1030418722 /nfs/dbraw/zinc/41/87/22/1030418722.db2.gz DTJZNRYBRJXIIF-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5scnc5c4)no3)n[n-]c21 ZINC001217470766 1030418728 /nfs/dbraw/zinc/41/87/28/1030418728.db2.gz DTJZNRYBRJXIIF-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(F)c5c4C(=O)CC5)no3)c2c1 ZINC001217500273 1030443909 /nfs/dbraw/zinc/44/39/09/1030443909.db2.gz XMQRPGWHGIVWLT-UHFFFAOYSA-N -1 3 391.358 3.934 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(OC5CC5)cc4)no3)c21 ZINC001217513349 1030456053 /nfs/dbraw/zinc/45/60/53/1030456053.db2.gz VSIKNKBAUQLDOK-UHFFFAOYSA-N -1 3 376.372 3.608 20 0 GHADHM Cc1cc(Br)cnc1-c1noc(-c2nc3nc(Cl)ccc3[n-]2)n1 ZINC001217552235 1030486637 /nfs/dbraw/zinc/48/66/37/1030486637.db2.gz CMHGIQKFPFXNHX-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1cc(Br)cnc1-c1noc(-c2nc3ccc(Cl)[n-]c-3n2)n1 ZINC001217552235 1030486647 /nfs/dbraw/zinc/48/66/47/1030486647.db2.gz CMHGIQKFPFXNHX-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1cc(Br)cnc1-c1noc(-c2nc3ccc(Cl)nc3[n-]2)n1 ZINC001217552235 1030486659 /nfs/dbraw/zinc/48/66/59/1030486659.db2.gz CMHGIQKFPFXNHX-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM O=C(Cn1c2ccccc2nc1-c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC001150366997 1030507409 /nfs/dbraw/zinc/50/74/09/1030507409.db2.gz MEQSFZSILIILIB-UHFFFAOYSA-N -1 3 375.403 3.864 20 0 GHADHM Cc1cccc([C@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001150414323 1030522478 /nfs/dbraw/zinc/52/24/78/1030522478.db2.gz LTFXJNALFLHEMM-HSZRJFAPSA-N -1 3 375.468 3.949 20 0 GHADHM COC1CCC(CCNC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)CC1 ZINC001150476949 1030538707 /nfs/dbraw/zinc/53/87/07/1030538707.db2.gz MBUHMYOHDDMVQQ-UHFFFAOYSA-N -1 3 396.409 3.872 20 0 GHADHM CC(C)Oc1ncc(Cl)cc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001217853420 1030661641 /nfs/dbraw/zinc/66/16/41/1030661641.db2.gz KBXIJWQLGWLJNR-ZETCQYMHSA-N -1 3 392.769 3.542 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)c1 ZINC001150826904 1030674957 /nfs/dbraw/zinc/67/49/57/1030674957.db2.gz CNYOKSUQZZRIST-HNNXBMFYSA-N -1 3 382.460 3.932 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC001152198180 1031141370 /nfs/dbraw/zinc/14/13/70/1031141370.db2.gz ZBQVEANPEMYVMW-CQSZACIVSA-N -1 3 395.459 3.501 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2F)CC1 ZINC001152768636 1031348816 /nfs/dbraw/zinc/34/88/16/1031348816.db2.gz SQZREONZVYPFRI-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM COC(=O)c1cc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])n(C)c1C ZINC001153375069 1031562045 /nfs/dbraw/zinc/56/20/45/1031562045.db2.gz LDZKIWGZHDUQGJ-UHFFFAOYSA-N -1 3 394.427 3.548 20 0 GHADHM CO[C@@H](CN1CCN(C(=O)c2c([O-])ccc3ccccc32)CC1)c1ccccc1 ZINC001153505436 1031622683 /nfs/dbraw/zinc/62/26/83/1031622683.db2.gz KLADINPUFCFDQE-QFIPXVFZSA-N -1 3 390.483 3.691 20 0 GHADHM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)c1cnc2cccnc2c1[O-] ZINC001153856528 1031774191 /nfs/dbraw/zinc/77/41/91/1031774191.db2.gz VRKYPBNJBHTHQD-BWKNWUBXSA-N -1 3 393.446 3.940 20 0 GHADHM CCc1ncsc1NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153873925 1031785812 /nfs/dbraw/zinc/78/58/12/1031785812.db2.gz KAANVLQKTTVIOV-UHFFFAOYSA-N -1 3 378.251 3.562 20 0 GHADHM CN(C(=O)c1c([O-])cc2ccccc2c1O)c1ncc(C(F)(F)F)cc1N ZINC001154023614 1031880731 /nfs/dbraw/zinc/88/07/31/1031880731.db2.gz ZGEFLGWPDDWGOV-UHFFFAOYSA-N -1 3 377.322 3.524 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001154026166 1031882508 /nfs/dbraw/zinc/88/25/08/1031882508.db2.gz JCRMZMZNRBDPNZ-INIZCTEOSA-N -1 3 377.322 3.748 20 0 GHADHM CN1CCC[C@H](Oc2cc([O-])cc3occ(-c4ccc(O)cc4)c(=O)c23)CC1 ZINC001226495423 1031983789 /nfs/dbraw/zinc/98/37/89/1031983789.db2.gz BQQYIYYZORQYSC-KRWDZBQOSA-N -1 3 381.428 3.734 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC001154209918 1031986237 /nfs/dbraw/zinc/98/62/37/1031986237.db2.gz VGPCCKYZXUXJMQ-UHFFFAOYSA-N -1 3 375.432 3.889 20 0 GHADHM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001154245576 1032003962 /nfs/dbraw/zinc/00/39/62/1032003962.db2.gz PNFINCBFKQNOCC-INIZCTEOSA-N -1 3 398.503 3.820 20 0 GHADHM O=c1nc2nc(Cl)ccc2c(O[C@@H]2COc3c2cccc3Br)[n-]1 ZINC001226554538 1032011709 /nfs/dbraw/zinc/01/17/09/1032011709.db2.gz XBEUKVVVYOWOAP-SNVBAGLBSA-N -1 3 394.612 3.659 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226596114 1032031036 /nfs/dbraw/zinc/03/10/36/1032031036.db2.gz IYZZVSOHSHWLMJ-AWEZNQCLSA-N -1 3 375.421 3.667 20 0 GHADHM C[C@@H]1C[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CCN1C(=O)OC(C)(C)C ZINC001226596535 1032032542 /nfs/dbraw/zinc/03/25/42/1032032542.db2.gz LOFLZERMRWBDJU-OCCSQVGLSA-N -1 3 375.421 3.665 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001157223138 1033480645 /nfs/dbraw/zinc/48/06/45/1033480645.db2.gz UTFOOQXLUXSHLL-BFYDXBDKSA-N -1 3 375.513 3.863 20 0 GHADHM C[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233372 1033485851 /nfs/dbraw/zinc/48/58/51/1033485851.db2.gz JJLFJPYTMXPXSJ-QMMMGPOBSA-N -1 3 394.319 3.997 20 0 GHADHM O=c1cc(Nc2ccc(C3(N4CCOCC4)CC3)cc2)[n-]n1-c1ccccc1 ZINC001205799059 1033580738 /nfs/dbraw/zinc/58/07/38/1033580738.db2.gz YLGCCDLLQQFDGX-UHFFFAOYSA-N -1 3 376.460 3.643 20 0 GHADHM FC(F)(NCc1cccc2c1OC(F)(F)O2)c1cc(Cl)nc(=S)[n-]1 ZINC001157574129 1033667272 /nfs/dbraw/zinc/66/72/72/1033667272.db2.gz JDZJHJRTIZAHCZ-UHFFFAOYSA-N -1 3 381.738 3.579 20 0 GHADHM CCCCOC(=O)[C@@H](C)Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1 ZINC001230131558 1033914017 /nfs/dbraw/zinc/91/40/17/1033914017.db2.gz YFSLQRGVQRBHGT-CYBMUJFWSA-N -1 3 376.478 3.782 20 0 GHADHM CS[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1 ZINC001158344268 1034035130 /nfs/dbraw/zinc/03/51/30/1034035130.db2.gz AHNKORQKMOVOTB-GOSISDBHSA-N -1 3 381.457 3.810 20 0 GHADHM CS[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1 ZINC001158344268 1034035145 /nfs/dbraw/zinc/03/51/45/1034035145.db2.gz AHNKORQKMOVOTB-GOSISDBHSA-N -1 3 381.457 3.810 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1CCN(c2ccc(C)cc2)CC1 ZINC001231087379 1034389480 /nfs/dbraw/zinc/38/94/80/1034389480.db2.gz JFNDJIUXXRGMCW-UHFFFAOYSA-N -1 3 390.867 3.974 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001231089759 1034390109 /nfs/dbraw/zinc/39/01/09/1034390109.db2.gz YQUVGHUQYCSEAW-ZDUSSCGKSA-N -1 3 390.823 3.579 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC001231118477 1034409465 /nfs/dbraw/zinc/40/94/65/1034409465.db2.gz PDCZOHZDDPXQBD-HNNXBMFYSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC001231118477 1034409469 /nfs/dbraw/zinc/40/94/69/1034409469.db2.gz PDCZOHZDDPXQBD-HNNXBMFYSA-N -1 3 392.337 3.726 20 0 GHADHM CC(=O)c1ccc(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)cc1[O-] ZINC001159197666 1034478258 /nfs/dbraw/zinc/47/82/58/1034478258.db2.gz WIXVCHLNJPVJTA-QHCPKHFHSA-N -1 3 396.262 3.654 20 0 GHADHM CC(C)N1CC[C@H](Oc2cc(Br)c([O-])cc2Br)C1 ZINC001231241413 1034479461 /nfs/dbraw/zinc/47/94/61/1034479461.db2.gz BCHAVDCAOCMULB-VIFPVBQESA-N -1 3 379.092 3.779 20 0 GHADHM COc1cccc2c(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)[n-]c(=O)nc12 ZINC001231347850 1034532198 /nfs/dbraw/zinc/53/21/98/1034532198.db2.gz URGWSYTVZNBHSF-ZWXCPPHNSA-N -1 3 398.362 3.749 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)C1 ZINC001231462018 1034606166 /nfs/dbraw/zinc/60/61/66/1034606166.db2.gz BZQPFRAKIMRSNM-DNVCBOLYSA-N -1 3 398.500 3.617 20 0 GHADHM COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC001231754887 1034884013 /nfs/dbraw/zinc/88/40/13/1034884013.db2.gz LMQRKHSUYBQZOR-IBGZPJMESA-N -1 3 383.444 3.907 20 0 GHADHM COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccccc2OCC(=O)[O-])cc1 ZINC001231795797 1034912935 /nfs/dbraw/zinc/91/29/35/1034912935.db2.gz YRTSADZNOLIAJO-IBGZPJMESA-N -1 3 383.444 3.664 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)c2n[n-]c3ccccc3c2=O)N(C)C)cc1 ZINC001160750620 1035055512 /nfs/dbraw/zinc/05/55/12/1035055512.db2.gz QIZJJZKQEJAHCN-HXUWFJFHSA-N -1 3 392.503 3.567 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cn(C)nc2-c2ccccc2)c([O-])c1 ZINC001161142805 1035156835 /nfs/dbraw/zinc/15/68/35/1035156835.db2.gz DKFZFSLQERSRAY-UHFFFAOYSA-N -1 3 379.460 3.902 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1)C1CC1 ZINC001161406720 1035225056 /nfs/dbraw/zinc/22/50/56/1035225056.db2.gz HNLPAAKGRUWGLG-UHFFFAOYSA-N -1 3 375.428 3.604 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001161462025 1035236198 /nfs/dbraw/zinc/23/61/98/1035236198.db2.gz LSTPBNYIFYWMNS-SFHVURJKSA-N -1 3 382.504 3.918 20 0 GHADHM COc1c(F)cc(-c2noc([C@@H](N)Cc3ccc([O-])c(Cl)c3)n2)cc1F ZINC001248250173 1035698763 /nfs/dbraw/zinc/69/87/63/1035698763.db2.gz QQMCPHIHCUIHGJ-ZDUSSCGKSA-N -1 3 381.766 3.625 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243051435 1036017864 /nfs/dbraw/zinc/01/78/64/1036017864.db2.gz MGZGHQOABLHUOU-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM CCOc1ccc(F)c(-c2ccc(Cc3nnn[n-]3)cc2)c1Br ZINC001243256655 1036081578 /nfs/dbraw/zinc/08/15/78/1036081578.db2.gz HXCPKFHATWSDTM-UHFFFAOYSA-N -1 3 377.217 3.758 20 0 GHADHM CCOc1ccc(F)c(-c2ccc(Cc3nn[n-]n3)cc2)c1Br ZINC001243256655 1036081603 /nfs/dbraw/zinc/08/16/03/1036081603.db2.gz HXCPKFHATWSDTM-UHFFFAOYSA-N -1 3 377.217 3.758 20 0 GHADHM N[C@@H](CCCC[N-]C(=O)C(F)(F)F)c1nc(-c2ccc3ccccc3c2)no1 ZINC001247689978 1038329976 /nfs/dbraw/zinc/32/99/76/1038329976.db2.gz LBPSBTRLVIURGR-HNNXBMFYSA-N -1 3 392.381 3.738 20 0 GHADHM [O-]c1c(Cl)ccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1Cl ZINC001232625356 1038414327 /nfs/dbraw/zinc/41/43/27/1038414327.db2.gz BWIRFSCFAQSURN-CHWSQXEVSA-N -1 3 384.332 3.719 20 0 GHADHM [O-]c1ccc(CN2Cc3cnc(Cl)cc3C2)cc1I ZINC001232874497 1038643598 /nfs/dbraw/zinc/64/35/98/1038643598.db2.gz PWNHIOKUSVPIGM-UHFFFAOYSA-N -1 3 386.620 3.561 20 0 GHADHM O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1 ZINC001232936707 1038716142 /nfs/dbraw/zinc/71/61/42/1038716142.db2.gz UYYGLVPPOIONEM-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM [O-]c1cc(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)cc(F)c1F ZINC001232972698 1038745065 /nfs/dbraw/zinc/74/50/65/1038745065.db2.gz UMJNLQUKMVLKDA-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)c1F ZINC001233050868 1038808204 /nfs/dbraw/zinc/80/82/04/1038808204.db2.gz IXRYPMSAYCTMOK-LJQANCHMSA-N -1 3 377.410 3.664 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)c1F ZINC001233052471 1038812870 /nfs/dbraw/zinc/81/28/70/1038812870.db2.gz NIWANGNBNHSMTK-WIYYLYMNSA-N -1 3 390.430 3.516 20 0 GHADHM [O-]c1ccc(F)c(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)c1F ZINC001233394162 1039227012 /nfs/dbraw/zinc/22/70/12/1039227012.db2.gz CSFKAZGXEVQFHD-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(Cl)c1[O-] ZINC001233397585 1039233896 /nfs/dbraw/zinc/23/38/96/1039233896.db2.gz FTHWXAPTXADGJW-ZDUSSCGKSA-N -1 3 384.904 3.743 20 0 GHADHM COc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)c(Cl)c1[O-] ZINC001233399717 1039237930 /nfs/dbraw/zinc/23/79/30/1039237930.db2.gz HFJCWRYFKRRMDD-UHFFFAOYSA-N -1 3 391.899 3.583 20 0 GHADHM CCOCC(COCC)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234379832 1039991915 /nfs/dbraw/zinc/99/19/15/1039991915.db2.gz IRPNIQARMCHOIP-UHFFFAOYSA-N -1 3 384.428 3.986 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001254323160 1040171611 /nfs/dbraw/zinc/17/16/11/1040171611.db2.gz HMABZPCWNJRFDS-ZDUSSCGKSA-N -1 3 399.312 3.993 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3nc[n-]c(=O)c3-c3ccccc3)[C@@H]2C1 ZINC001234690215 1040222338 /nfs/dbraw/zinc/22/23/38/1040222338.db2.gz ARAPMDDYZSGETR-GVDBMIGSSA-N -1 3 397.475 3.874 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1C(C)=O ZINC001234789792 1040321286 /nfs/dbraw/zinc/32/12/86/1040321286.db2.gz CMEFFQGKOCXMJS-BXUZGUMPSA-N -1 3 379.453 3.689 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)cc1Cl ZINC001254959569 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3.863 20 0 GHADHM [O-]c1cc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1F ZINC001236708153 1041844767 /nfs/dbraw/zinc/84/47/67/1041844767.db2.gz NXSARIMTLBLNEF-UHFFFAOYSA-N -1 3 384.373 3.748 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(F)c([O-])c2)C[C@@H]1C(F)(F)F ZINC001236709371 1041845984 /nfs/dbraw/zinc/84/59/84/1041845984.db2.gz YFTFDJYZKFEHGI-GXTWGEPZSA-N -1 3 392.393 3.809 20 0 GHADHM COC[C@H]1CN(Cc2sc(=O)[n-]c2Cl)Cc2cn(CC3CCCC3)nc21 ZINC001237158922 1042070917 /nfs/dbraw/zinc/07/09/17/1042070917.db2.gz RNUIIVBYBCQTME-CQSZACIVSA-N -1 3 396.944 3.635 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CNCCO2)c1ccccc1Oc1ccccc1 ZINC001237719731 1042340759 /nfs/dbraw/zinc/34/07/59/1042340759.db2.gz VVLCDZOSFXYCPN-UHFFFAOYSA-N -1 3 396.468 3.762 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(N)c(Cl)c2)c1 ZINC001237905286 1042418181 /nfs/dbraw/zinc/41/81/81/1042418181.db2.gz JXXJVQXXFOSCKX-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@H]12 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ZINC001292433909 1043732364 /nfs/dbraw/zinc/73/23/64/1043732364.db2.gz ZUIWLWXMAZGRRW-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292433909 1043732377 /nfs/dbraw/zinc/73/23/77/1043732377.db2.gz ZUIWLWXMAZGRRW-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM O=C(Nc1nc2c(s1)CCCCC2)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001292485375 1043757769 /nfs/dbraw/zinc/75/77/69/1043757769.db2.gz MTQZISLGYJRYFM-UHFFFAOYSA-N -1 3 375.400 3.784 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c1 ZINC001292487212 1043759043 /nfs/dbraw/zinc/75/90/43/1043759043.db2.gz MJTCEWCYCKGQNS-UHFFFAOYSA-N -1 3 397.818 3.954 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CC2CC2)C2CCCCC2)c(Cl)c1 ZINC001292781585 1043873343 /nfs/dbraw/zinc/87/33/43/1043873343.db2.gz HBJKVXCTZCRBOW-UHFFFAOYSA-N -1 3 384.929 3.896 20 0 GHADHM O=c1cc(C(F)(F)F)[nH]cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257195273 1043930212 /nfs/dbraw/zinc/93/02/12/1043930212.db2.gz BNDAOTVZVWTWGE-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1F ZINC001257284826 1043957112 /nfs/dbraw/zinc/95/71/12/1043957112.db2.gz WKCMHAMAYVXWRD-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM CC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257294108 1043959504 /nfs/dbraw/zinc/95/95/04/1043959504.db2.gz YVKWHSWLGPHCNN-JTQLQIEISA-N -1 3 397.324 3.575 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(F)c1)C1CC1)c1cccc(Cl)c1Cl ZINC001257300805 1043961264 /nfs/dbraw/zinc/96/12/64/1043961264.db2.gz QCAHDKDYWCHMKS-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1cc(C)n(Cc2cccc(-c3nnc(-c4cc(=O)[n-]c(C5CC5)n4)o3)c2)n1 ZINC001257462447 1044005169 /nfs/dbraw/zinc/00/51/69/1044005169.db2.gz VWFOGEQOZKOCFY-UHFFFAOYSA-N -1 3 388.431 3.638 20 0 GHADHM Cc1cc(C)n(Cc2cccc(-c3nnc(-c4c([O-])cc(C)cc4O)o3)c2)n1 ZINC001257473864 1044008339 /nfs/dbraw/zinc/00/83/39/1044008339.db2.gz JTWVLOKXXHMOQK-UHFFFAOYSA-N -1 3 376.416 3.985 20 0 GHADHM CCc1[nH]n(C)c2nnc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])c1-2 ZINC001293300670 1044098755 /nfs/dbraw/zinc/09/87/55/1044098755.db2.gz YKRQRAIVIFAECV-UHFFFAOYSA-N -1 3 389.459 3.602 20 0 GHADHM COc1c(F)cc(F)cc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257661600 1044106364 /nfs/dbraw/zinc/10/63/64/1044106364.db2.gz MRAIFWSSVGPORA-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1ccc(Br)s1 ZINC001462801276 1070555367 /nfs/dbraw/zinc/55/53/67/1070555367.db2.gz IUDIUFXJYRTHJH-GFCCVEGCSA-N -1 3 386.336 3.909 20 0 GHADHM COc1cccc(Oc2ncccc2CNC(=O)c2c([O-])cccc2OC)c1 ZINC001293856039 1044350310 /nfs/dbraw/zinc/35/03/10/1044350310.db2.gz YPMWJWCFMSOVEG-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(CC)CC ZINC001294130694 1044487243 /nfs/dbraw/zinc/48/72/43/1044487243.db2.gz MWZJOBVVQABPQF-IAGOWNOFSA-N -1 3 378.419 3.520 20 0 GHADHM O=C(Nc1ccc(OCC(F)F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294317331 1044582655 /nfs/dbraw/zinc/58/26/55/1044582655.db2.gz MLRQANDLNFINJD-UHFFFAOYSA-N -1 3 380.297 3.703 20 0 GHADHM COC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC001258916551 1044870650 /nfs/dbraw/zinc/87/06/50/1044870650.db2.gz MXFZPFJQGAUGPF-UHFFFAOYSA-N -1 3 392.235 3.649 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ncc(Cl)cc1Cl)C(=O)C2 ZINC001258967031 1044910644 /nfs/dbraw/zinc/91/06/44/1044910644.db2.gz RQZSXZIBJZJLES-VFZGTOFNSA-N -1 3 377.293 3.526 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC001259131341 1044974275 /nfs/dbraw/zinc/97/42/75/1044974275.db2.gz VMJFMOHGAKPJHC-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1cccc2cnccc21 ZINC001259157996 1044983404 /nfs/dbraw/zinc/98/34/04/1044983404.db2.gz IVSUDTQHFCYSJF-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C(F)(F)F)cc1C ZINC001259166876 1044987483 /nfs/dbraw/zinc/98/74/83/1044987483.db2.gz AHTDLVGXOSNLJO-UHFFFAOYSA-N -1 3 398.406 3.556 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2c(Br)ncc3ccccc32)c1 ZINC001259183256 1044996265 /nfs/dbraw/zinc/99/62/65/1044996265.db2.gz DYWVMRJYWFAICI-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(Br)c(C)nc2Cl)c1 ZINC001259184107 1044996303 /nfs/dbraw/zinc/99/63/03/1044996303.db2.gz XIWTYFHZMNMEME-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(C)cc(C)nc1Br ZINC001259196631 1045003008 /nfs/dbraw/zinc/00/30/08/1045003008.db2.gz BQVOHHJBECPVQM-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001295500571 1045035436 /nfs/dbraw/zinc/03/54/36/1045035436.db2.gz FAKDLENRVRSWAZ-UHFFFAOYSA-N -1 3 375.384 3.696 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)c(O)c2)cc1 ZINC001259265890 1045053891 /nfs/dbraw/zinc/05/38/91/1045053891.db2.gz VBATZCIFYRQYID-UHFFFAOYSA-N -1 3 377.462 3.598 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccccc1)C(=O)N2 ZINC001259337154 1045088728 /nfs/dbraw/zinc/08/87/28/1045088728.db2.gz VCIVEDZCLUVPHY-FQEVSTJZSA-N -1 3 378.453 3.634 20 0 GHADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC001462886809 1070625909 /nfs/dbraw/zinc/62/59/09/1070625909.db2.gz DWPDPRYWMQKYEP-HNNXBMFYSA-N -1 3 388.514 3.864 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cc1OC(F)F ZINC001259431279 1045149056 /nfs/dbraw/zinc/14/90/56/1045149056.db2.gz DLCCQKWWQJASMY-UHFFFAOYSA-N -1 3 379.331 3.999 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001462890585 1070628799 /nfs/dbraw/zinc/62/87/99/1070628799.db2.gz WQYIHQLAVLDVHZ-JTQLQIEISA-N -1 3 395.349 3.773 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1 ZINC001259438721 1045155742 /nfs/dbraw/zinc/15/57/42/1045155742.db2.gz OHWALKYTLPIINL-UHFFFAOYSA-N -1 3 393.209 3.555 20 0 GHADHM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259446737 1045162927 /nfs/dbraw/zinc/16/29/27/1045162927.db2.gz POJRKMNEROAOGS-UHFFFAOYSA-N -1 3 375.780 3.945 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1Cl)C1CC1)c1cccc(Cl)c1F ZINC001259473216 1045185568 /nfs/dbraw/zinc/18/55/68/1045185568.db2.gz JCBINDWTJKSIPO-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001295972828 1045203021 /nfs/dbraw/zinc/20/30/21/1045203021.db2.gz SMNDQCWTWLVTRV-CQSZACIVSA-N -1 3 392.228 3.766 20 0 GHADHM CCOc1cnc(Br)c([N-]S(=O)(=O)c2cc(C)cc(C)c2)c1 ZINC001259517179 1045217276 /nfs/dbraw/zinc/21/72/76/1045217276.db2.gz PPQLMQCPWXVYSZ-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CC1CCCCC1)c1cccc2ccccc21 ZINC001259621964 1045247970 /nfs/dbraw/zinc/24/79/70/1045247970.db2.gz HZCCYZPDFMTCFV-LJQANCHMSA-N -1 3 375.490 3.554 20 0 GHADHM CCc1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)c([O-])c1 ZINC001296267915 1045291877 /nfs/dbraw/zinc/29/18/77/1045291877.db2.gz KWAKCQYDMQGCFN-MRXNPFEDSA-N -1 3 378.266 3.571 20 0 GHADHM CCS[C@H](C(=O)Nc1ccc(I)cc1[O-])C(C)C ZINC001296282119 1045295037 /nfs/dbraw/zinc/29/50/37/1045295037.db2.gz DYCQNHRTALVCLS-LBPRGKRZSA-N -1 3 379.263 3.713 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)CCc2ccccc2F)c1 ZINC001259787568 1045304738 /nfs/dbraw/zinc/30/47/38/1045304738.db2.gz DLTOAVAGMVOVJY-UHFFFAOYSA-N -1 3 397.443 3.905 20 0 GHADHM O=c1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)cc[nH]1 ZINC001259861658 1045322926 /nfs/dbraw/zinc/32/29/26/1045322926.db2.gz XZDHGONYRJZYLM-UHFFFAOYSA-N -1 3 382.441 3.869 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1cccc2ccccc21 ZINC001259863631 1045323429 /nfs/dbraw/zinc/32/34/29/1045323429.db2.gz IFIUIJSCSLTYFX-OAQYLSRUSA-N -1 3 395.480 3.521 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1ccc2c(Br)cncc2c1 ZINC001259873227 1045326753 /nfs/dbraw/zinc/32/67/53/1045326753.db2.gz JHFQZFPMJYHDNM-UHFFFAOYSA-N -1 3 383.189 3.691 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(CC(=O)OC)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001296725613 1045363532 /nfs/dbraw/zinc/36/35/32/1045363532.db2.gz QJERMFQFRJCDNO-UHFFFAOYSA-N -1 3 395.377 3.789 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c(Cl)c1 ZINC001260204673 1045413256 /nfs/dbraw/zinc/41/32/56/1045413256.db2.gz ICHXKTOSYVEPGY-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc2c(cc1[O-])OCO2 ZINC001297059516 1045437940 /nfs/dbraw/zinc/43/79/40/1045437940.db2.gz CRSUZBLVLWZRIL-AULYBMBSSA-N -1 3 379.334 3.816 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1 ZINC001260284934 1045442746 /nfs/dbraw/zinc/44/27/46/1045442746.db2.gz YZFCYRDZGXJIIL-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)C(F)(F)F ZINC001260299463 1045450983 /nfs/dbraw/zinc/45/09/83/1045450983.db2.gz DPAJIDHPJLDCDS-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC001260299329 1045451020 /nfs/dbraw/zinc/45/10/20/1045451020.db2.gz TZYMPSMBTLWDIO-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM O=S(=O)([N-]c1ncc(O)cc1Br)c1ccc(Cl)c(Cl)c1 ZINC001260308786 1045453015 /nfs/dbraw/zinc/45/30/15/1045453015.db2.gz RLNSGLSIPSVGJK-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc2c(cc1[O-])OCO2 ZINC001297396962 1045510553 /nfs/dbraw/zinc/51/05/53/1045510553.db2.gz UQDXFUIDWHSRJM-UHFFFAOYSA-N -1 3 391.248 3.993 20 0 GHADHM CCCC1([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CCC1 ZINC001260484210 1045511270 /nfs/dbraw/zinc/51/12/70/1045511270.db2.gz KUNXWDFDTFOXQZ-UHFFFAOYSA-N -1 3 399.559 3.582 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)NCc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC001260581432 1045570173 /nfs/dbraw/zinc/57/01/73/1045570173.db2.gz CSDARPAIRFRGEM-UHFFFAOYSA-N -1 3 399.896 3.712 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001297609016 1045587373 /nfs/dbraw/zinc/58/73/73/1045587373.db2.gz FBXNCZUNPYRBCZ-KLKKTORDSA-N -1 3 395.503 3.877 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1Br ZINC001260649057 1045589928 /nfs/dbraw/zinc/58/99/28/1045589928.db2.gz LJXVVCKLVYZJQS-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)cc(F)c1Br ZINC001260651220 1045593103 /nfs/dbraw/zinc/59/31/03/1045593103.db2.gz PVQDFKUHEIVLMX-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)cc1F ZINC001260661425 1045597026 /nfs/dbraw/zinc/59/70/26/1045597026.db2.gz DIXUDRWATBYSJG-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)C(F)(F)F)cc1F ZINC001260664003 1045599363 /nfs/dbraw/zinc/59/93/63/1045599363.db2.gz ZWBNYCLKPFORSI-OAHLLOKOSA-N -1 3 377.359 3.725 20 0 GHADHM O=C(Nc1ncc(-c2ccccn2)s1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001297678108 1045602048 /nfs/dbraw/zinc/60/20/48/1045602048.db2.gz SYMQNYVUWUKEKA-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001297739980 1045614661 /nfs/dbraw/zinc/61/46/61/1045614661.db2.gz HYKWUQGJJXYSGK-QFIPXVFZSA-N -1 3 379.431 3.836 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCc2c1ccc(F)c2Br ZINC001298072601 1045695856 /nfs/dbraw/zinc/69/58/56/1045695856.db2.gz LAGMJCDOKXIBMT-AWEZNQCLSA-N -1 3 382.204 3.779 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001260828008 1045696160 /nfs/dbraw/zinc/69/61/60/1045696160.db2.gz JOYRWMPUVCBGKI-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001260845071 1045708604 /nfs/dbraw/zinc/70/86/04/1045708604.db2.gz RMRUGTSBXRXONX-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM CN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001298312598 1045770877 /nfs/dbraw/zinc/77/08/77/1045770877.db2.gz PFKZHMPABJVZTI-HNNXBMFYSA-N -1 3 384.657 3.614 20 0 GHADHM Cc1ccnc(C2(C[N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC001261014102 1045835910 /nfs/dbraw/zinc/83/59/10/1045835910.db2.gz QLVIZBBHIQCKMW-UHFFFAOYSA-N -1 3 388.386 3.558 20 0 GHADHM CCOc1ccc(OCC(=O)Nc2c([O-])ccc(Br)c2C)cc1 ZINC001298513203 1045844112 /nfs/dbraw/zinc/84/41/12/1045844112.db2.gz INEJAFHZWUUWRF-UHFFFAOYSA-N -1 3 380.238 3.879 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(Cl)n1 ZINC001261043939 1045863281 /nfs/dbraw/zinc/86/32/81/1045863281.db2.gz BGRAWYPYWJRXGO-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1ccccc1-n1cncn1 ZINC001261083000 1045898547 /nfs/dbraw/zinc/89/85/47/1045898547.db2.gz VOLAAPJSFINZRT-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001298994339 1045994293 /nfs/dbraw/zinc/99/42/93/1045994293.db2.gz QRCHANFLBHWENC-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001298994339 1045994297 /nfs/dbraw/zinc/99/42/97/1045994297.db2.gz QRCHANFLBHWENC-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CC(C)(C)C)cs2)c1 ZINC001299072331 1046006182 /nfs/dbraw/zinc/00/61/82/1046006182.db2.gz GJLQCHYFFQTBIB-CYBMUJFWSA-N -1 3 389.521 3.893 20 0 GHADHM CC(C)[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)N1CCCC1 ZINC001299905504 1046089073 /nfs/dbraw/zinc/08/90/73/1046089073.db2.gz FJNGSHDUXPYSKC-QFIPXVFZSA-N -1 3 394.515 3.554 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCCCC1)c1cc2c(cc1[O-])OCO2 ZINC001299973467 1046122629 /nfs/dbraw/zinc/12/26/29/1046122629.db2.gz RLPRVSBQACLGKQ-HXUWFJFHSA-N -1 3 383.444 3.535 20 0 GHADHM O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1nnc2ccccc2c1[O-] ZINC001301168171 1046383211 /nfs/dbraw/zinc/38/32/11/1046383211.db2.gz AVWHGVHXQFOCDH-UHFFFAOYSA-N -1 3 399.332 3.997 20 0 GHADHM O=C(NCC1(O)CCC(F)(F)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001301290569 1046457611 /nfs/dbraw/zinc/45/76/11/1046457611.db2.gz DMDDKKMCAKWQCM-UHFFFAOYSA-N -1 3 377.387 3.855 20 0 GHADHM CC(=O)c1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1[O-] ZINC001301670238 1046652400 /nfs/dbraw/zinc/65/24/00/1046652400.db2.gz ZKTYBKLRTAZVGW-UHFFFAOYSA-N -1 3 390.480 3.552 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)F)c2)cc1 ZINC001302131967 1046832202 /nfs/dbraw/zinc/83/22/02/1046832202.db2.gz XTIHLTJOONUVAH-UHFFFAOYSA-N -1 3 378.469 3.582 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(Br)n1 ZINC001463142491 1070847110 /nfs/dbraw/zinc/84/71/10/1070847110.db2.gz HAZNIBFZSNLRCL-HUUCEWRRSA-N -1 3 395.322 3.534 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000843887660 1047174465 /nfs/dbraw/zinc/17/44/65/1047174465.db2.gz YTLMDWZLTXREIL-ZIAGYGMSSA-N -1 3 376.453 3.617 20 0 GHADHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001463189966 1070897771 /nfs/dbraw/zinc/89/77/71/1070897771.db2.gz YUZOMFLTVUNRFI-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)nn1 ZINC001264772376 1047435379 /nfs/dbraw/zinc/43/53/79/1047435379.db2.gz YAXWSVDOAWWCDJ-UHFFFAOYSA-N -1 3 382.474 3.662 20 0 GHADHM O=C([N-]c1nc(-c2ccc(-n3cccn3)cc2)cs1)c1c(F)ccnc1F ZINC001265081916 1047552428 /nfs/dbraw/zinc/55/24/28/1047552428.db2.gz MYEPXMBAABMQQU-UHFFFAOYSA-N -1 3 383.383 3.921 20 0 GHADHM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000391612979 1047561313 /nfs/dbraw/zinc/56/13/13/1047561313.db2.gz JFTJPYPBRFGLCH-UHFFFAOYSA-N -1 3 380.775 3.750 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1C(C)C ZINC001304100933 1047586741 /nfs/dbraw/zinc/58/67/41/1047586741.db2.gz IRRYHBGZPKCWNL-UHFFFAOYSA-N -1 3 395.463 3.845 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1C(C)C ZINC001304100933 1047586746 /nfs/dbraw/zinc/58/67/46/1047586746.db2.gz IRRYHBGZPKCWNL-UHFFFAOYSA-N -1 3 395.463 3.845 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC001304131573 1047595320 /nfs/dbraw/zinc/59/53/20/1047595320.db2.gz JOJSERBKYICARP-SNVBAGLBSA-N -1 3 395.410 3.670 20 0 GHADHM C[C@@H](NC(=O)C(=Cc1ccccc1)C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001304133046 1047596001 /nfs/dbraw/zinc/59/60/01/1047596001.db2.gz SUUFABCQYZFQFA-FBHKUJJOSA-N -1 3 378.276 3.647 20 0 GHADHM O=C([N-][C@@H]1C[C@@]1(F)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001299747537 1047695508 /nfs/dbraw/zinc/69/55/08/1047695508.db2.gz AVLAFCFORMQOTK-IUODEOHRSA-N -1 3 385.183 3.689 20 0 GHADHM Nc1c(Cl)c(F)cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1Cl ZINC001304819204 1047781750 /nfs/dbraw/zinc/78/17/50/1047781750.db2.gz FTNAPPKTBUBZTB-KYZUINATSA-N -1 3 399.253 3.667 20 0 GHADHM C[C@H](CN1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1)C(F)(F)F ZINC001280068820 1048069598 /nfs/dbraw/zinc/06/95/98/1048069598.db2.gz WNYWJUCAZOJNGV-LYGAQUJYSA-N -1 3 385.411 3.603 20 0 GHADHM O=S(=O)([N-][C@H]1COc2ccc(Cl)cc21)c1cnc(-c2ccccc2)s1 ZINC001463311235 1070980367 /nfs/dbraw/zinc/98/03/67/1070980367.db2.gz YUTZNBBOIMPZJD-AWEZNQCLSA-N -1 3 392.889 3.876 20 0 GHADHM O=C(Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001280501856 1048230855 /nfs/dbraw/zinc/23/08/55/1048230855.db2.gz QRYXPGRYAKEXQS-UHFFFAOYSA-N -1 3 396.255 3.802 20 0 GHADHM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001280501856 1048230867 /nfs/dbraw/zinc/23/08/67/1048230867.db2.gz QRYXPGRYAKEXQS-UHFFFAOYSA-N -1 3 396.255 3.802 20 0 GHADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001305960527 1048337797 /nfs/dbraw/zinc/33/77/97/1048337797.db2.gz 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CCOc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1OCC ZINC001440579471 1058541227 /nfs/dbraw/zinc/54/12/27/1058541227.db2.gz WDUIIOFYXKAMAS-UHFFFAOYSA-N -1 3 388.370 3.856 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1 ZINC001338403292 1058550555 /nfs/dbraw/zinc/55/05/55/1058550555.db2.gz KEWQAVIIVMWQPU-UHFFFAOYSA-N -1 3 389.408 3.596 20 0 GHADHM COCCOc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC001440816421 1058627236 /nfs/dbraw/zinc/62/72/36/1058627236.db2.gz HFVUWFCGSDMGJQ-UHFFFAOYSA-N -1 3 392.455 3.850 20 0 GHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)c2)n1 ZINC001441312171 1058747952 /nfs/dbraw/zinc/74/79/52/1058747952.db2.gz NYZKPTIUJNUEQZ-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)c1 ZINC001441696460 1058847784 /nfs/dbraw/zinc/84/77/84/1058847784.db2.gz RRJKPLKVHRUEGF-RNODOKPDSA-N -1 3 392.459 3.910 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1[O-] ZINC001441882391 1058880090 /nfs/dbraw/zinc/88/00/90/1058880090.db2.gz FLYIQYDLNVMBDI-UHFFFAOYSA-N -1 3 396.365 3.509 20 0 GHADHM COCCCOc1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001442052440 1058907922 /nfs/dbraw/zinc/90/79/22/1058907922.db2.gz QLYWPQPASOFLIX-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001339019311 1058926293 /nfs/dbraw/zinc/92/62/93/1058926293.db2.gz PAUKVCOJYTXOLJ-UHFFFAOYSA-N -1 3 379.433 3.518 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001339019311 1058926300 /nfs/dbraw/zinc/92/63/00/1058926300.db2.gz PAUKVCOJYTXOLJ-UHFFFAOYSA-N -1 3 379.433 3.518 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c2n[nH]cc21 ZINC001442478181 1058967884 /nfs/dbraw/zinc/96/78/84/1058967884.db2.gz VQSYQJGFXMVRIB-UHFFFAOYSA-N -1 3 397.232 3.728 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(F)c1 ZINC001442548547 1058974520 /nfs/dbraw/zinc/97/45/20/1058974520.db2.gz CFVGGVAIJXNKOT-UHFFFAOYSA-N -1 3 376.334 3.985 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001443298780 1059101039 /nfs/dbraw/zinc/10/10/39/1059101039.db2.gz CTDWVCZBNYUWCB-FPOVZHCZSA-N -1 3 394.515 3.738 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001339365276 1059144561 /nfs/dbraw/zinc/14/45/61/1059144561.db2.gz ZYCDWORCODXHNZ-LMMKCTJWSA-N -1 3 390.491 3.542 20 0 GHADHM CC[C@H](CNC(=O)c1cc([O-])cc(Br)c1)Oc1ccccc1F ZINC001445295025 1059499730 /nfs/dbraw/zinc/49/97/30/1059499730.db2.gz OENBCIWWMVZWIL-CQSZACIVSA-N -1 3 382.229 3.881 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c([O-])c1 ZINC001447056331 1059922994 /nfs/dbraw/zinc/92/29/94/1059922994.db2.gz AWSSYYCRBPGHDY-UHFFFAOYSA-N -1 3 392.411 3.795 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc([O-])cc(Br)c2)c(C)cc1C ZINC001447803784 1060037878 /nfs/dbraw/zinc/03/78/78/1060037878.db2.gz DSMBWRCGEMIDAG-UHFFFAOYSA-N -1 3 378.222 3.810 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001447841213 1060048082 /nfs/dbraw/zinc/04/80/82/1060048082.db2.gz PAZYVHZKGQZNGP-CYBMUJFWSA-N -1 3 380.510 3.634 20 0 GHADHM CCOc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c3c(Cl)cccc3c1=O)CCO2 ZINC001448034218 1060090356 /nfs/dbraw/zinc/09/03/56/1060090356.db2.gz YZYKXWABWDTGLS-KRWDZBQOSA-N -1 3 398.846 3.834 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001340764569 1060103492 /nfs/dbraw/zinc/10/34/92/1060103492.db2.gz ZWACKFACHLKPKT-GFCCVEGCSA-N -1 3 398.898 3.589 20 0 GHADHM CC(C)(C)c1ccc(CSCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001448129233 1060115197 /nfs/dbraw/zinc/11/51/97/1060115197.db2.gz AUCIKOMSHBUKNH-UHFFFAOYSA-N -1 3 386.443 3.671 20 0 GHADHM CCCc1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])ccc1Cl ZINC001449198854 1060351125 /nfs/dbraw/zinc/35/11/25/1060351125.db2.gz UWZPPPWAXJDUNX-OLZOCXBDSA-N -1 3 389.883 3.786 20 0 GHADHM Cc1cc(C(=O)[N-]c2scc(-c3cnn(C)c3)c2C(=O)OC(C)(C)C)on1 ZINC001341082061 1060381434 /nfs/dbraw/zinc/38/14/34/1060381434.db2.gz ZNYSDHUUKCEYLY-UHFFFAOYSA-N -1 3 388.449 3.653 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccnc1OCc1ccccc1F ZINC001450051521 1060511188 /nfs/dbraw/zinc/51/11/88/1060511188.db2.gz PINDCTKYIBZBRZ-UHFFFAOYSA-N -1 3 378.363 3.634 20 0 GHADHM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450386360 1060583734 /nfs/dbraw/zinc/58/37/34/1060583734.db2.gz NQFYGCVDQXXNCM-ZDUSSCGKSA-N -1 3 399.853 3.577 20 0 GHADHM C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C(=O)OC(C)(C)C ZINC001451873924 1060855282 /nfs/dbraw/zinc/85/52/82/1060855282.db2.gz BUWJFZXKJDYMQQ-IFXJQAMLSA-N -1 3 379.472 3.823 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=Cc2ccccc2)C(F)(F)F)[n-]n1 ZINC001452104194 1060901710 /nfs/dbraw/zinc/90/17/10/1060901710.db2.gz WABNVDAAGSBSNI-FMIVXFBMSA-N -1 3 381.354 3.949 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=Cc2ccccc2)C(F)(F)F)n[n-]1 ZINC001452104194 1060901711 /nfs/dbraw/zinc/90/17/11/1060901711.db2.gz WABNVDAAGSBSNI-FMIVXFBMSA-N -1 3 381.354 3.949 20 0 GHADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001452914024 1061042920 /nfs/dbraw/zinc/04/29/20/1061042920.db2.gz UGRQSHQRVGSQSR-OAQYLSRUSA-N -1 3 386.373 3.749 20 0 GHADHM CC1(C)CCC(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001346275082 1061491993 /nfs/dbraw/zinc/49/19/93/1061491993.db2.gz SNHVOFPZVXPMBJ-QHCPKHFHSA-N -1 3 386.536 3.829 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]C(C)(C)C(=O)Nc2ccccc2)cnc1Cl ZINC001454099454 1061596782 /nfs/dbraw/zinc/59/67/82/1061596782.db2.gz ABNDCYFXGXNNPF-UHFFFAOYSA-N -1 3 381.810 3.669 20 0 GHADHM Cc1cccc(CO[N-]C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)n1 ZINC001454243438 1061663668 /nfs/dbraw/zinc/66/36/68/1061663668.db2.gz XFMMGVYHUXDXSM-ZWKOTPCHSA-N -1 3 391.512 3.802 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C1(C)C ZINC001454410001 1061767621 /nfs/dbraw/zinc/76/76/21/1061767621.db2.gz DXOUBVUTHJHYHY-GXTWGEPZSA-N -1 3 390.285 3.806 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C1(C)C ZINC001454410001 1061767636 /nfs/dbraw/zinc/76/76/36/1061767636.db2.gz DXOUBVUTHJHYHY-GXTWGEPZSA-N -1 3 390.285 3.806 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Cc3ccc([O-])c(Cl)c3)cc2F)CC1 ZINC001455083398 1061997254 /nfs/dbraw/zinc/99/72/54/1061997254.db2.gz DFONYKINHIVIGL-UHFFFAOYSA-N -1 3 391.874 3.508 20 0 GHADHM C[C@H](CO[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001545858795 1062046616 /nfs/dbraw/zinc/04/66/16/1062046616.db2.gz XJJFIAITNUOJHN-JKZOPUQSSA-N -1 3 394.434 3.562 20 0 GHADHM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1c[n-]c2ccc(Br)cc2c1=O ZINC001455256798 1062077852 /nfs/dbraw/zinc/07/78/52/1062077852.db2.gz PSDKKFXEFWOSGW-KNHMANMVSA-N -1 3 375.266 3.599 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1nc(F)ccc1Br ZINC001434902888 1062093768 /nfs/dbraw/zinc/09/37/68/1062093768.db2.gz XGXYNAWBLWTSPN-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COc1nscc1[N-]C(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC001455353338 1062111361 /nfs/dbraw/zinc/11/13/61/1062111361.db2.gz NZQVTWOBHXTGOC-UHFFFAOYSA-N -1 3 382.367 3.917 20 0 GHADHM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1c[n-]c3c(Cl)cccc3c1=O)CCC2 ZINC001546072068 1062120089 /nfs/dbraw/zinc/12/00/89/1062120089.db2.gz YBINMMXRZPJSAL-INIZCTEOSA-N -1 3 384.867 3.766 20 0 GHADHM O=C([N-]C[C@H](O)Cc1ccc(F)cc1)C(F)(F)c1cccc(Cl)c1Cl ZINC001455853180 1062328561 /nfs/dbraw/zinc/32/85/61/1062328561.db2.gz QVRJGWZYDHJZAU-GFCCVEGCSA-N -1 3 392.204 3.944 20 0 GHADHM O=C([N-][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)C(F)(F)c1ccccc1 ZINC001435397095 1062571753 /nfs/dbraw/zinc/57/17/53/1062571753.db2.gz GFJUDDYFQDGRJN-AWEZNQCLSA-N -1 3 398.331 3.719 20 0 GHADHM CCOC(=O)c1cnn2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cc12 ZINC001456307718 1062606382 /nfs/dbraw/zinc/60/63/82/1062606382.db2.gz QWPRDQZIDVPDAV-UHFFFAOYSA-N -1 3 375.384 3.622 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)[n-]n1 ZINC001456332801 1062620345 /nfs/dbraw/zinc/62/03/45/1062620345.db2.gz MIKOOHACADFHPX-SECBINFHSA-N -1 3 386.235 3.688 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)n[n-]1 ZINC001456332801 1062620355 /nfs/dbraw/zinc/62/03/55/1062620355.db2.gz MIKOOHACADFHPX-SECBINFHSA-N -1 3 386.235 3.688 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1nc(C(F)(F)F)n[n-]1 ZINC001456384634 1062651382 /nfs/dbraw/zinc/65/13/82/1062651382.db2.gz NVPLVHMBMUOYEF-LLVKDONJSA-N -1 3 378.354 3.894 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385994 1062653397 /nfs/dbraw/zinc/65/33/97/1062653397.db2.gz AARGEYNBSYHZRU-XJNROGLQSA-N -1 3 382.386 3.891 20 0 GHADHM C[C@@H](CN(C)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC001348109699 1062922597 /nfs/dbraw/zinc/92/25/97/1062922597.db2.gz AYEVNRDTQZRRHD-AWEZNQCLSA-N -1 3 399.532 3.555 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1nc(-c2ccccc2)cs1 ZINC001456946093 1062926880 /nfs/dbraw/zinc/92/68/80/1062926880.db2.gz HGWUCHCZTBPCOZ-SHTZXODSSA-N -1 3 380.473 3.762 20 0 GHADHM Nc1cc(Cl)c(Cl)cc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456951350 1062928259 /nfs/dbraw/zinc/92/82/59/1062928259.db2.gz ZRSKTRAESOBQDQ-MGCOHNPYSA-N -1 3 381.263 3.527 20 0 GHADHM Cc1ccc([C@@H](CC(F)(F)F)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC001435811253 1062942290 /nfs/dbraw/zinc/94/22/90/1062942290.db2.gz ZGNDOYRNAWLALK-MRXNPFEDSA-N -1 3 381.398 3.850 20 0 GHADHM CCCCc1nc(NC(=O)Cc2ccc(Cl)c(F)c2)c(C(=O)OCC)[n-]1 ZINC001435886808 1062982036 /nfs/dbraw/zinc/98/20/36/1062982036.db2.gz KFLHIXLKPAYKJM-UHFFFAOYSA-N -1 3 381.835 3.903 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)c2cccc3n[n-]nc32)cc1OC ZINC001457357328 1063108983 /nfs/dbraw/zinc/10/89/83/1063108983.db2.gz AGKXRESTTLZRSV-UHFFFAOYSA-N -1 3 388.427 3.822 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001457491809 1063208111 /nfs/dbraw/zinc/20/81/11/1063208111.db2.gz TYKKCOIOHVTVBR-HNNXBMFYSA-N -1 3 385.769 3.992 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1csc(-c2ccco2)n1 ZINC001457774492 1063358575 /nfs/dbraw/zinc/35/85/75/1063358575.db2.gz NAJWABCWMSFHBD-UHFFFAOYSA-N -1 3 387.808 3.800 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1cc(Cl)ncc1F ZINC001349020439 1063504082 /nfs/dbraw/zinc/50/40/82/1063504082.db2.gz HEOVEACECBPHTN-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccc(Cl)c(F)c3)nc21 ZINC001458168175 1063624727 /nfs/dbraw/zinc/62/47/27/1063624727.db2.gz HHWABMUHGVYINZ-UHFFFAOYSA-N -1 3 391.786 3.550 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001349412236 1063706218 /nfs/dbraw/zinc/70/62/18/1063706218.db2.gz SUIZRIQFAYAZFB-UHFFFAOYSA-N -1 3 389.436 3.608 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438033652 1063970451 /nfs/dbraw/zinc/97/04/51/1063970451.db2.gz ORCDZEJRBHPRIE-NWDGAFQWSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438033652 1063970454 /nfs/dbraw/zinc/97/04/54/1063970454.db2.gz ORCDZEJRBHPRIE-NWDGAFQWSA-N -1 3 381.885 3.661 20 0 GHADHM O=C([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001438743784 1064106498 /nfs/dbraw/zinc/10/64/98/1064106498.db2.gz PIMRLJAIQUIKIE-CHWSQXEVSA-N -1 3 386.324 3.508 20 0 GHADHM Cc1conc1[N-]C(=O)c1c(Cl)ccc(I)c1F ZINC001459897118 1064262118 /nfs/dbraw/zinc/26/21/18/1064262118.db2.gz ATMGCWTXUZONAH-UHFFFAOYSA-N -1 3 380.544 3.632 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC001460015554 1064346914 /nfs/dbraw/zinc/34/69/14/1064346914.db2.gz KSHIYTJXWDCOHZ-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC001460015554 1064346927 /nfs/dbraw/zinc/34/69/27/1064346927.db2.gz KSHIYTJXWDCOHZ-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c1 ZINC001546139565 1064418099 /nfs/dbraw/zinc/41/80/99/1064418099.db2.gz KXHAXZONXGADTE-AUUYWEPGSA-N -1 3 380.444 3.749 20 0 GHADHM O=S(=O)([N-]CCC1Cc2ccccc2C1)c1cccc(Br)c1F ZINC001463519595 1064430274 /nfs/dbraw/zinc/43/02/74/1064430274.db2.gz LXDJVJZEGBQVHR-UHFFFAOYSA-N -1 3 398.297 3.672 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001463537065 1064445346 /nfs/dbraw/zinc/44/53/46/1064445346.db2.gz AOEGEQLGXZSZNK-KBPBESRZSA-N -1 3 385.501 3.886 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)c(F)c1 ZINC001463689719 1064552097 /nfs/dbraw/zinc/55/20/97/1064552097.db2.gz BTRSQNGAOUYVBS-UHFFFAOYSA-N -1 3 399.871 3.869 20 0 GHADHM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC001463761519 1064594185 /nfs/dbraw/zinc/59/41/85/1064594185.db2.gz PMYGIQMNQVSFOS-AWEZNQCLSA-N -1 3 388.539 3.978 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC001463761523 1064594984 /nfs/dbraw/zinc/59/49/84/1064594984.db2.gz PMYGIQMNQVSFOS-CQSZACIVSA-N -1 3 388.539 3.978 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CC2)o1 ZINC001463817897 1064645390 /nfs/dbraw/zinc/64/53/90/1064645390.db2.gz IZOBHLPOIDRSSB-UHFFFAOYSA-N -1 3 398.912 3.856 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Cl)c1)c1c(Cl)cccc1Br ZINC001464083528 1064808933 /nfs/dbraw/zinc/80/89/33/1064808933.db2.gz YEUNFFHDXRMWHY-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2CC(F)(F)F)c(F)c1F ZINC001464193317 1064901445 /nfs/dbraw/zinc/90/14/45/1064901445.db2.gz DRASFAUKNBVICE-UHFFFAOYSA-N -1 3 379.350 3.857 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c(F)cc1Br ZINC001464255816 1064928835 /nfs/dbraw/zinc/92/88/35/1064928835.db2.gz ONEVRWMBJJLGOR-GFCCVEGCSA-N -1 3 376.291 3.921 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c(C2CCCC2)n1 ZINC001464311783 1064951165 /nfs/dbraw/zinc/95/11/65/1064951165.db2.gz WEEMPKVZTKDBSP-UONOGXRCSA-N -1 3 391.459 3.501 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2cccnc2)C2CCCC2)c(F)c1F ZINC001464344937 1064964146 /nfs/dbraw/zinc/96/41/46/1064964146.db2.gz JJMQJSLSRWBJSH-INIZCTEOSA-N -1 3 380.460 3.748 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001464393435 1064984903 /nfs/dbraw/zinc/98/49/03/1064984903.db2.gz QLXPFJHAHTZLCZ-QWHCGFSZSA-N -1 3 390.814 3.897 20 0 GHADHM C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)N1CCc2sccc2C1 ZINC001464645214 1065133401 /nfs/dbraw/zinc/13/34/01/1065133401.db2.gz TWENXQBCLGNVEH-LLVKDONJSA-N -1 3 384.423 3.649 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CCS1 ZINC001464652734 1065139854 /nfs/dbraw/zinc/13/98/54/1065139854.db2.gz DQIUJPJGIQZIAB-SNVBAGLBSA-N -1 3 382.320 3.541 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001464685898 1065156363 /nfs/dbraw/zinc/15/63/63/1065156363.db2.gz TVPPYYXLWPGHQY-UHFFFAOYSA-N -1 3 378.325 3.747 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1nc2ccccc2[nH]1 ZINC001464762243 1065196833 /nfs/dbraw/zinc/19/68/33/1065196833.db2.gz MZDAEQNDBCPNDL-AWEZNQCLSA-N -1 3 382.370 3.564 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)Cc1cccc(F)c1 ZINC001464897722 1065263782 /nfs/dbraw/zinc/26/37/82/1065263782.db2.gz BJCQRVAXCAEXJL-CQSZACIVSA-N -1 3 387.432 3.508 20 0 GHADHM CCc1ccc([C@@H](COC)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)o1 ZINC001465248652 1065496891 /nfs/dbraw/zinc/49/68/91/1065496891.db2.gz WWJOSYLBNGDONC-GFCCVEGCSA-N -1 3 395.481 3.763 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001465451254 1065626857 /nfs/dbraw/zinc/62/68/57/1065626857.db2.gz HJVMJVBYRSXRDT-SNVBAGLBSA-N -1 3 383.311 3.552 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(SC)ccc3[O-])ccc2NC1=O ZINC001465527803 1065690256 /nfs/dbraw/zinc/69/02/56/1065690256.db2.gz CRNKGTYAGWLUKK-GTNSWQLSSA-N -1 3 386.473 3.715 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)Cc2ccccc2Br)cc1[O-] ZINC001465991178 1065948359 /nfs/dbraw/zinc/94/83/59/1065948359.db2.gz BITSCZOVUPXJQH-LLVKDONJSA-N -1 3 376.250 3.718 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1cc(Cl)ccc1Br ZINC001466195403 1066028866 /nfs/dbraw/zinc/02/88/66/1066028866.db2.gz BSIFNQCVOKHNDR-UHFFFAOYSA-N -1 3 386.648 3.849 20 0 GHADHM COc1c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cnn1C ZINC001466221249 1066042535 /nfs/dbraw/zinc/04/25/35/1066042535.db2.gz OTXUMQLHYXYKIO-UHFFFAOYSA-N -1 3 380.429 3.663 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000847766395 1066076390 /nfs/dbraw/zinc/07/63/90/1066076390.db2.gz OZYUCIJUDFIAKP-UHFFFAOYSA-N -1 3 392.303 3.580 20 0 GHADHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466351297 1066106912 /nfs/dbraw/zinc/10/69/12/1066106912.db2.gz DLRGJZCMSFEGME-JTSKRJEESA-N -1 3 375.468 3.877 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001466444939 1066158167 /nfs/dbraw/zinc/15/81/67/1066158167.db2.gz KIWUMDJPWKIGKU-MRXNPFEDSA-N -1 3 393.270 3.797 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCC2(Cc3ccccc3)CCCC2)c([O-])c1 ZINC001466508774 1066175833 /nfs/dbraw/zinc/17/58/33/1066175833.db2.gz BEJZLWRJEZFTBL-UHFFFAOYSA-N -1 3 394.515 3.740 20 0 GHADHM Cc1cc([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)c[nH]c1=O ZINC001466578381 1066198226 /nfs/dbraw/zinc/19/82/26/1066198226.db2.gz LNKGMMLGOZKUQO-UHFFFAOYSA-N -1 3 379.107 3.667 20 0 GHADHM N[C@H]1CCCn2nc(C(=O)Nc3c([O-])c(Cl)cc(Cl)c3Cl)cc21 ZINC001353772263 1066238556 /nfs/dbraw/zinc/23/85/56/1066238556.db2.gz AKOXFLBAIMHDLT-QMMMGPOBSA-N -1 3 375.643 3.595 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)n[nH]1 ZINC001466683896 1066254461 /nfs/dbraw/zinc/25/44/61/1066254461.db2.gz MLIOKVOXSBUDHZ-UHFFFAOYSA-N -1 3 399.476 3.780 20 0 GHADHM CCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c([O-])c1 ZINC001466898485 1066376290 /nfs/dbraw/zinc/37/62/90/1066376290.db2.gz NZSRXPPWXFHOAR-OAQYLSRUSA-N -1 3 388.467 3.934 20 0 GHADHM CS(=O)(=O)c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1Cl ZINC001466919578 1066388832 /nfs/dbraw/zinc/38/88/32/1066388832.db2.gz NKTAPEJYLSRIBD-UHFFFAOYSA-N -1 3 379.865 3.580 20 0 GHADHM CCO[C@@H]1C[C@](CO)([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)C1(C)C ZINC001466932562 1066398473 /nfs/dbraw/zinc/39/84/73/1066398473.db2.gz XYPFSXYEJPMYRQ-MLGOLLRUSA-N -1 3 396.261 3.768 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001358188110 1067433356 /nfs/dbraw/zinc/43/33/56/1067433356.db2.gz OSAZHUIXQFBKCZ-YJBOKZPZSA-N -1 3 398.544 3.847 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC001467737842 1067444522 /nfs/dbraw/zinc/44/45/22/1067444522.db2.gz CJKCIJKHDWSGDV-HNNXBMFYSA-N -1 3 395.459 3.643 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)ccc1F ZINC001358230402 1067447611 /nfs/dbraw/zinc/44/76/11/1067447611.db2.gz ATTNXDHEVHSSDY-WBVHZDCISA-N -1 3 398.544 3.847 20 0 GHADHM C[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001467873879 1067510214 /nfs/dbraw/zinc/51/02/14/1067510214.db2.gz NXIDIJJMWOXAOL-HUUCEWRRSA-N -1 3 381.476 3.838 20 0 GHADHM CCCc1ccc(CCCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874648 1067510715 /nfs/dbraw/zinc/51/07/15/1067510715.db2.gz QIMQOZDJKFYLJT-SJORKVTESA-N -1 3 397.519 3.842 20 0 GHADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC001546166544 1067599276 /nfs/dbraw/zinc/59/92/76/1067599276.db2.gz UFQVKIPFPNLZKD-HWPZZCPQSA-N -1 3 382.229 3.800 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000849305195 1067793095 /nfs/dbraw/zinc/79/30/95/1067793095.db2.gz LVBZNTZNEYGEST-INIZCTEOSA-N -1 3 390.505 3.501 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(NC(=O)OC(C)(C)C)c2)s1 ZINC000849413838 1067837933 /nfs/dbraw/zinc/83/79/33/1067837933.db2.gz WKNXQNJTWBMWAC-UHFFFAOYSA-N -1 3 397.522 3.531 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1C(F)(F)F ZINC000849453480 1067848997 /nfs/dbraw/zinc/84/89/97/1067848997.db2.gz FGOYYBRRUPARFA-ZIAGYGMSSA-N -1 3 391.798 3.816 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1C(F)(F)F ZINC000849453478 1067849147 /nfs/dbraw/zinc/84/91/47/1067849147.db2.gz FGOYYBRRUPARFA-KGLIPLIRSA-N -1 3 391.798 3.816 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001468923516 1067928294 /nfs/dbraw/zinc/92/82/94/1067928294.db2.gz OZYPIAXIERTPEW-MUIFIZLQSA-N -1 3 399.457 3.667 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3[O-])cc2)C[C@@H](C)O1 ZINC001469163126 1068003834 /nfs/dbraw/zinc/00/38/34/1068003834.db2.gz WMFRTBMYDDKENX-CHWSQXEVSA-N -1 3 376.403 3.532 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](Cc2cccnc2)C2CCCC2)[n-]n1 ZINC001469326750 1068104721 /nfs/dbraw/zinc/10/47/21/1068104721.db2.gz NCOIYHGJVMJWIW-INIZCTEOSA-N -1 3 384.480 3.748 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](Cc2cccnc2)C2CCCC2)n[n-]1 ZINC001469326750 1068104724 /nfs/dbraw/zinc/10/47/24/1068104724.db2.gz NCOIYHGJVMJWIW-INIZCTEOSA-N -1 3 384.480 3.748 20 0 GHADHM O=C(c1cnc(OC2CCCCC2)c(Cl)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715211 1068333612 /nfs/dbraw/zinc/33/36/12/1068333612.db2.gz MWQXPFHABCBNJZ-LBPRGKRZSA-N -1 3 390.871 3.505 20 0 GHADHM C[C@]12CN(C(=O)NCc3ccc([O-])c(Br)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001478221977 1078771555 /nfs/dbraw/zinc/77/15/55/1078771555.db2.gz WBFSUFIRXRHXGM-MOROJQBDSA-N -1 3 379.298 3.732 20 0 GHADHM Cc1ccc(N2CCC[C@@H]([N-]C(=O)C(F)(F)c3c(F)cccc3F)C2=O)cc1 ZINC001360975209 1068723261 /nfs/dbraw/zinc/72/32/61/1068723261.db2.gz PKJNYPOHOQTHLB-MRXNPFEDSA-N -1 3 394.368 3.677 20 0 GHADHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1c(F)ccc(Br)c1F)C2 ZINC001460720634 1069120469 /nfs/dbraw/zinc/12/04/69/1069120469.db2.gz HWPRXOFIFRBDAM-UHFFFAOYSA-N -1 3 382.208 3.616 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Br)c1Cl ZINC001460783561 1069176124 /nfs/dbraw/zinc/17/61/24/1069176124.db2.gz FTLSXYZIOOIWAR-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Br)c1Cl ZINC001460783561 1069176136 /nfs/dbraw/zinc/17/61/36/1069176136.db2.gz FTLSXYZIOOIWAR-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001460786298 1069178189 /nfs/dbraw/zinc/17/81/89/1069178189.db2.gz NEBKUAJVHXHURG-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001460786298 1069178192 /nfs/dbraw/zinc/17/81/92/1069178192.db2.gz NEBKUAJVHXHURG-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccc(F)cc2F)CCCC1 ZINC001460790749 1069181202 /nfs/dbraw/zinc/18/12/02/1069181202.db2.gz YPVBOVGTGVGXEX-UHFFFAOYSA-N -1 3 387.365 3.735 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccc(F)cc2F)CCCC1 ZINC001460790749 1069181210 /nfs/dbraw/zinc/18/12/10/1069181210.db2.gz YPVBOVGTGVGXEX-UHFFFAOYSA-N -1 3 387.365 3.735 20 0 GHADHM Cc1cccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC001470708658 1072696285 /nfs/dbraw/zinc/69/62/85/1072696285.db2.gz OLSCAZGDIIYCPB-UHFFFAOYSA-N -1 3 380.488 3.859 20 0 GHADHM O=C(CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1cccc(F)c1Cl ZINC001470910039 1072807844 /nfs/dbraw/zinc/80/78/44/1072807844.db2.gz BPHFPCQRBWQYRZ-UHFFFAOYSA-N -1 3 393.201 3.587 20 0 GHADHM CC1(C)CC[C@H](C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC001471426647 1073067602 /nfs/dbraw/zinc/06/76/02/1073067602.db2.gz FDKFLFJYFPSRJQ-DLBZAZTESA-N -1 3 396.453 3.733 20 0 GHADHM O=C(NC[C@H]1CCC2(CCOCC2)CO1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471624104 1073161865 /nfs/dbraw/zinc/16/18/65/1073161865.db2.gz IMJMAGWVGIPENN-LJQANCHMSA-N -1 3 397.471 3.890 20 0 GHADHM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3cc(CCc4ccccc4)ccc3[O-])O2)CO1 ZINC001471921154 1073261327 /nfs/dbraw/zinc/26/13/27/1073261327.db2.gz XAJYURBOBCDQCE-YQOVMPOYSA-N -1 3 395.499 3.634 20 0 GHADHM C[C@H](NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109002 1073336413 /nfs/dbraw/zinc/33/64/13/1073336413.db2.gz DVUBSZDRAIOZFD-FZMZJTMJSA-N -1 3 398.429 3.812 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@H]1C[C@H]1CCCO1 ZINC001472153245 1073348470 /nfs/dbraw/zinc/34/84/70/1073348470.db2.gz JWRWSVAAQDCBIA-SJLPKXTDSA-N -1 3 383.444 3.595 20 0 GHADHM COc1cccc(C[C@H](C)CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001472289244 1073402406 /nfs/dbraw/zinc/40/24/06/1073402406.db2.gz URWJGGHNZSDETM-SZMVWBNQSA-N -1 3 383.492 3.602 20 0 GHADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001472357580 1073444065 /nfs/dbraw/zinc/44/40/65/1073444065.db2.gz ODJAWUJXMHCWPQ-UHFFFAOYSA-N -1 3 384.509 3.918 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c([O-])c1 ZINC001472439915 1073490330 /nfs/dbraw/zinc/49/03/30/1073490330.db2.gz JGIFFGYRTCDCNK-JKSUJKDBSA-N -1 3 380.460 3.593 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(F)c(Cl)cc3Cl)c2c1=O ZINC001472585834 1073562094 /nfs/dbraw/zinc/56/20/94/1073562094.db2.gz XBUFOTKQQPYFFL-UHFFFAOYSA-N -1 3 383.210 3.751 20 0 GHADHM O=C([N-]CCCN1CCN(Cc2ccccc2)c2ccccc21)C(F)(F)F ZINC001473288405 1073908018 /nfs/dbraw/zinc/90/80/18/1073908018.db2.gz QOBOQWLOIFTCJT-UHFFFAOYSA-N -1 3 377.410 3.582 20 0 GHADHM O=c1cc(CN[C@@H](CO)c2ccccc2C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC001473823994 1074161123 /nfs/dbraw/zinc/16/11/23/1074161123.db2.gz UWDXFRKGKCHRIQ-KRWDZBQOSA-N -1 3 389.377 3.691 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)n1 ZINC001473857340 1074178479 /nfs/dbraw/zinc/17/84/79/1074178479.db2.gz NLQQUDNHYZHULS-AWEZNQCLSA-N -1 3 384.480 3.957 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001474539226 1074455536 /nfs/dbraw/zinc/45/55/36/1074455536.db2.gz HFEMVGCTHSHXCO-LLVKDONJSA-N -1 3 391.244 3.725 20 0 GHADHM Cc1ccc(NC(=O)CNCc2cccc([O-])c2Br)c(Cl)c1 ZINC001474590600 1074473856 /nfs/dbraw/zinc/47/38/56/1074473856.db2.gz FMFYHQDMKWWFAC-UHFFFAOYSA-N -1 3 383.673 3.845 20 0 GHADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1cc(Cl)ccc1F ZINC001474772301 1074553046 /nfs/dbraw/zinc/55/30/46/1074553046.db2.gz ACBWPBSMVAUZAA-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM O=S(=O)([N-]CCN1CCCCCC1)c1c(Cl)cc(Cl)cc1Cl ZINC001474824605 1074579837 /nfs/dbraw/zinc/57/98/37/1074579837.db2.gz HIPNZPTXEYLESZ-UHFFFAOYSA-N -1 3 385.744 3.801 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccsc1 ZINC001474830902 1074583551 /nfs/dbraw/zinc/58/35/51/1074583551.db2.gz UJAIIPFKUCXVMR-MRXNPFEDSA-N -1 3 388.505 3.696 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CCCCC1 ZINC001474860531 1074597183 /nfs/dbraw/zinc/59/71/83/1074597183.db2.gz ZPAMSHWMPYGLJX-CYBMUJFWSA-N -1 3 399.969 3.616 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)COc1cccc(C)c1 ZINC001474862129 1074597828 /nfs/dbraw/zinc/59/78/28/1074597828.db2.gz LMDHVSDYEXVZNB-ZDUSSCGKSA-N -1 3 377.437 3.935 20 0 GHADHM Cc1ccc(OCCC[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001474901987 1074622929 /nfs/dbraw/zinc/62/29/29/1074622929.db2.gz ZSTGHRLGXHEZEG-UHFFFAOYSA-N -1 3 388.514 3.866 20 0 GHADHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)c1 ZINC001474906875 1074626405 /nfs/dbraw/zinc/62/64/05/1074626405.db2.gz IFDYFAYOFKWQKE-UHFFFAOYSA-N -1 3 391.386 3.819 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCC(C)C)c1F ZINC001474927422 1074635798 /nfs/dbraw/zinc/63/57/98/1074635798.db2.gz ITLWEZWORBGCMN-GXTWGEPZSA-N -1 3 389.464 3.635 20 0 GHADHM O=S(=O)([N-]CCNc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001475076609 1074726471 /nfs/dbraw/zinc/72/64/71/1074726471.db2.gz CDLPQZYORAAWEX-UHFFFAOYSA-N -1 3 393.921 3.854 20 0 GHADHM CC(C)(C)[C@H]([N-]S(=O)(=O)CC1CCCCC1)C(=O)OCc1ccccc1 ZINC001475139354 1074754082 /nfs/dbraw/zinc/75/40/82/1074754082.db2.gz UOSXAXPNBAQHKL-GOSISDBHSA-N -1 3 381.538 3.644 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@@H]2C)c1 ZINC001475173966 1074769072 /nfs/dbraw/zinc/76/90/72/1074769072.db2.gz JPRHJUYLNULDTN-SJCJKPOMSA-N -1 3 379.503 3.527 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001475210879 1074787460 /nfs/dbraw/zinc/78/74/60/1074787460.db2.gz AAKYLJNEJHUKSR-HUUCEWRRSA-N -1 3 381.444 3.663 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001475210877 1074787641 /nfs/dbraw/zinc/78/76/41/1074787641.db2.gz AAKYLJNEJHUKSR-CABCVRRESA-N -1 3 381.444 3.663 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CCCCC1 ZINC001475212659 1074787860 /nfs/dbraw/zinc/78/78/60/1074787860.db2.gz WUSJNXOGVQDGHP-YYULODDRSA-N -1 3 398.594 3.663 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(C)C)cc32)c1 ZINC001475223350 1074792874 /nfs/dbraw/zinc/79/28/74/1074792874.db2.gz AFLCHHLDERKYQR-MRXNPFEDSA-N -1 3 379.503 3.624 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2cccc(Br)c2)n1 ZINC001475240364 1074800251 /nfs/dbraw/zinc/80/02/51/1074800251.db2.gz VFQILSLFYGMZCQ-DABQJJPHSA-N -1 3 399.335 3.649 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001475240671 1074800786 /nfs/dbraw/zinc/80/07/86/1074800786.db2.gz BRPHJSJEJPQIDN-DZGCQCFKSA-N -1 3 387.288 3.622 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(C)C)C1(CO)CCCC1 ZINC001475368855 1074851466 /nfs/dbraw/zinc/85/14/66/1074851466.db2.gz FGIYDZDIUCOPHC-QGZVFWFLSA-N -1 3 383.485 3.736 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCCC1CC1 ZINC001475585182 1074920775 /nfs/dbraw/zinc/92/07/75/1074920775.db2.gz HBZNQFVCHSFYSB-UHFFFAOYSA-N -1 3 396.734 3.970 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1C[C@H]1C1CC1)c1cc(Cl)ccc1Br ZINC001475672104 1074997384 /nfs/dbraw/zinc/99/73/84/1074997384.db2.gz OPYKUHDWVHRXMY-PWSUYJOCSA-N -1 3 378.719 3.817 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC001475701133 1075002907 /nfs/dbraw/zinc/00/29/07/1075002907.db2.gz HXQWQXLGAGGGTL-JTQLQIEISA-N -1 3 382.309 3.640 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC(C)(C)OC2(C)C)sc1Br ZINC001475720523 1075008099 /nfs/dbraw/zinc/00/80/99/1075008099.db2.gz ZOIBOUXGQQXELC-SNVBAGLBSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 ZINC001476196853 1075102156 /nfs/dbraw/zinc/10/21/56/1075102156.db2.gz KWMKKEHZQTYRIQ-SFHVURJKSA-N -1 3 386.496 3.588 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)(NCc1ncccc1Br)C(=O)[O-] ZINC001604218405 1126228208 /nfs/dbraw/zinc/22/82/08/1126228208.db2.gz KQFDDMBPMGIZSN-INIZCTEOSA-N -1 3 383.673 3.673 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737954487 598829663 /nfs/dbraw/zinc/82/96/63/598829663.db2.gz NJPIZUNMDQGZIG-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737954487 598829664 /nfs/dbraw/zinc/82/96/64/598829664.db2.gz NJPIZUNMDQGZIG-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM CSCCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737182323 598831238 /nfs/dbraw/zinc/83/12/38/598831238.db2.gz OBLSLIQMOWVCSN-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CSCCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737182323 598831240 /nfs/dbraw/zinc/83/12/40/598831240.db2.gz OBLSLIQMOWVCSN-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CCc1ncc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000736705550 598833331 /nfs/dbraw/zinc/83/33/31/598833331.db2.gz LDPPOTVDMKYFAJ-UHFFFAOYSA-N -1 3 396.501 3.544 20 0 GHADHM CC(C)(C)SCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735644527 598833714 /nfs/dbraw/zinc/83/37/14/598833714.db2.gz ZHLBCBDOSDSCLS-UHFFFAOYSA-N -1 3 387.534 3.743 20 0 GHADHM O=C(C=Cc1cccs1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737810310 598834221 /nfs/dbraw/zinc/83/42/21/598834221.db2.gz YTBBTGUBOOUURR-TWGQIWQCSA-N -1 3 393.497 3.986 20 0 GHADHM C[C@H]1CC(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@H](C)C1 ZINC000736222567 598838121 /nfs/dbraw/zinc/83/81/21/598838121.db2.gz DVARYVQDCPYVRQ-ZIAGYGMSSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@H]1CC(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@H](C)C1 ZINC000736222567 598838122 /nfs/dbraw/zinc/83/81/22/598838122.db2.gz DVARYVQDCPYVRQ-ZIAGYGMSSA-N -1 3 395.463 3.593 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735665217 598866514 /nfs/dbraw/zinc/86/65/14/598866514.db2.gz VEINIGAKMYZPPI-UHFFFAOYSA-N -1 3 377.492 3.575 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735665217 598866516 /nfs/dbraw/zinc/86/65/16/598866516.db2.gz VEINIGAKMYZPPI-UHFFFAOYSA-N -1 3 377.492 3.575 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(Cl)cc1Cl ZINC000736040957 598884788 /nfs/dbraw/zinc/88/47/88/598884788.db2.gz SNZJOJSMRQRCMV-JTQLQIEISA-N -1 3 393.230 3.798 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(Cl)cc1Cl ZINC000736040957 598884789 /nfs/dbraw/zinc/88/47/89/598884789.db2.gz SNZJOJSMRQRCMV-JTQLQIEISA-N -1 3 393.230 3.798 20 0 GHADHM Cc1nn(C)c(Cl)c1CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737512542 598887248 /nfs/dbraw/zinc/88/72/48/598887248.db2.gz XBKPIRZWYBOZBC-UHFFFAOYSA-N -1 3 399.911 3.580 20 0 GHADHM CC(C)c1noc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000735953310 598901771 /nfs/dbraw/zinc/90/17/71/598901771.db2.gz GQRBVHJCAFXJEO-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM CC(C)c1noc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000735953310 598901773 /nfs/dbraw/zinc/90/17/73/598901773.db2.gz GQRBVHJCAFXJEO-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736685967 598906519 /nfs/dbraw/zinc/90/65/19/598906519.db2.gz NIECQOONHYEKLU-SFHVURJKSA-N -1 3 394.479 3.849 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685967 598906520 /nfs/dbraw/zinc/90/65/20/598906520.db2.gz NIECQOONHYEKLU-SFHVURJKSA-N -1 3 394.479 3.849 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735964247 598908011 /nfs/dbraw/zinc/90/80/11/598908011.db2.gz XEPBSXXHYUQDPW-LBPRGKRZSA-N -1 3 382.493 3.535 20 0 GHADHM Cc1cccc2c1CCCN2C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737409701 598909162 /nfs/dbraw/zinc/90/91/62/598909162.db2.gz QTVBSWRRUSADTK-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM Cc1cccc2c1CCCN2C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737409701 598909164 /nfs/dbraw/zinc/90/91/64/598909164.db2.gz QTVBSWRRUSADTK-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736404800 598922829 /nfs/dbraw/zinc/92/28/29/598922829.db2.gz BEMVKCXWMADPOE-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736404800 598922831 /nfs/dbraw/zinc/92/28/31/598922831.db2.gz BEMVKCXWMADPOE-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736204991 598944607 /nfs/dbraw/zinc/94/46/07/598944607.db2.gz UZDBGCIHGJCNCE-INIZCTEOSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736204991 598944608 /nfs/dbraw/zinc/94/46/08/598944608.db2.gz UZDBGCIHGJCNCE-INIZCTEOSA-N -1 3 391.475 3.635 20 0 GHADHM c1cc(CNc2ccc3c(c2)CCO3)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738412784 598963490 /nfs/dbraw/zinc/96/34/90/598963490.db2.gz IHKWSBDHNSENFD-UHFFFAOYSA-N -1 3 399.454 3.993 20 0 GHADHM c1cc(CNc2ccc3c(c2)CCO3)cc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738412784 598963492 /nfs/dbraw/zinc/96/34/92/598963492.db2.gz IHKWSBDHNSENFD-UHFFFAOYSA-N -1 3 399.454 3.993 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736472393 598986156 /nfs/dbraw/zinc/98/61/56/598986156.db2.gz VWCAGXYUKDANHS-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249142 598987615 /nfs/dbraw/zinc/98/76/15/598987615.db2.gz FFGGGTNSRGRNCI-HNAYVOBHSA-N -1 3 391.475 3.754 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736426243 598998400 /nfs/dbraw/zinc/99/84/00/598998400.db2.gz YYRSLFYBDXNUHE-SFHVURJKSA-N -1 3 379.464 3.754 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736426243 598998402 /nfs/dbraw/zinc/99/84/02/598998402.db2.gz YYRSLFYBDXNUHE-SFHVURJKSA-N -1 3 379.464 3.754 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1-c1nnn[n-]1 ZINC000736676294 599001527 /nfs/dbraw/zinc/00/15/27/599001527.db2.gz QTMQBXZSRFFZNW-UHFFFAOYSA-N -1 3 384.440 3.601 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1-c1nn[n-]n1 ZINC000736676294 599001529 /nfs/dbraw/zinc/00/15/29/599001529.db2.gz QTMQBXZSRFFZNW-UHFFFAOYSA-N -1 3 384.440 3.601 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000735904407 599014986 /nfs/dbraw/zinc/01/49/86/599014986.db2.gz OMYJCKBYWPSWFN-HNNXBMFYSA-N -1 3 377.448 3.713 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000735904407 599014988 /nfs/dbraw/zinc/01/49/88/599014988.db2.gz OMYJCKBYWPSWFN-HNNXBMFYSA-N -1 3 377.448 3.713 20 0 GHADHM Cc1cccc([C@H](C)CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737389486 599033463 /nfs/dbraw/zinc/03/34/63/599033463.db2.gz PAKMIMYQBLDIJF-GFCCVEGCSA-N -1 3 386.912 3.919 20 0 GHADHM Cc1cccc([C@H](C)CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737389486 599033465 /nfs/dbraw/zinc/03/34/65/599033465.db2.gz PAKMIMYQBLDIJF-GFCCVEGCSA-N -1 3 386.912 3.919 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000737996617 599040306 /nfs/dbraw/zinc/04/03/06/599040306.db2.gz GRYPQWQFUIPBLJ-ZDUSSCGKSA-N -1 3 381.745 3.554 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000737996617 599040308 /nfs/dbraw/zinc/04/03/08/599040308.db2.gz GRYPQWQFUIPBLJ-ZDUSSCGKSA-N -1 3 381.745 3.554 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)n1 ZINC000820197068 599043458 /nfs/dbraw/zinc/04/34/58/599043458.db2.gz FTJUCXSKGVIFOU-AWEZNQCLSA-N -1 3 395.536 3.714 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)n1 ZINC000820197068 599043461 /nfs/dbraw/zinc/04/34/61/599043461.db2.gz FTJUCXSKGVIFOU-AWEZNQCLSA-N -1 3 395.536 3.714 20 0 GHADHM Fc1cccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737664819 599047553 /nfs/dbraw/zinc/04/75/53/599047553.db2.gz DWBRVBFYZSLPCL-CYBMUJFWSA-N -1 3 378.333 3.761 20 0 GHADHM Fc1cccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737664819 599047556 /nfs/dbraw/zinc/04/75/56/599047556.db2.gz DWBRVBFYZSLPCL-CYBMUJFWSA-N -1 3 378.333 3.761 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000819933674 599056131 /nfs/dbraw/zinc/05/61/31/599056131.db2.gz ZJFQVQCJYHLLIU-KRWDZBQOSA-N -1 3 398.442 3.684 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000819933674 599056134 /nfs/dbraw/zinc/05/61/34/599056134.db2.gz ZJFQVQCJYHLLIU-KRWDZBQOSA-N -1 3 398.442 3.684 20 0 GHADHM CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736358240 599077168 /nfs/dbraw/zinc/07/71/68/599077168.db2.gz RVJVEMISYVEOBQ-LJQANCHMSA-N -1 3 377.492 3.672 20 0 GHADHM CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736358240 599077165 /nfs/dbraw/zinc/07/71/65/599077165.db2.gz RVJVEMISYVEOBQ-LJQANCHMSA-N -1 3 377.492 3.672 20 0 GHADHM COc1ccccc1[C@H](C)SCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821702247 599127355 /nfs/dbraw/zinc/12/73/55/599127355.db2.gz NBKDIHGQQRTQST-ZDUSSCGKSA-N -1 3 386.477 3.757 20 0 GHADHM COc1ccccc1[C@H](C)SCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821702247 599127357 /nfs/dbraw/zinc/12/73/57/599127357.db2.gz NBKDIHGQQRTQST-ZDUSSCGKSA-N -1 3 386.477 3.757 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sc(C2CCCC2)nc1C ZINC000821412127 599144138 /nfs/dbraw/zinc/14/41/38/599144138.db2.gz IHWUYTHJGQIHDF-UHFFFAOYSA-N -1 3 398.492 3.940 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000821401577 599144263 /nfs/dbraw/zinc/14/42/63/599144263.db2.gz XPLUIXJGJVWSFP-CYBMUJFWSA-N -1 3 383.427 3.612 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000821401577 599144265 /nfs/dbraw/zinc/14/42/65/599144265.db2.gz XPLUIXJGJVWSFP-CYBMUJFWSA-N -1 3 383.427 3.612 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000821413287 599144553 /nfs/dbraw/zinc/14/45/53/599144553.db2.gz ZHXMCNPENDNEAY-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821412454 599144678 /nfs/dbraw/zinc/14/46/78/599144678.db2.gz LPVFXXXYCIUKER-UHFFFAOYSA-N -1 3 377.404 3.881 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821412454 599144681 /nfs/dbraw/zinc/14/46/81/599144681.db2.gz LPVFXXXYCIUKER-UHFFFAOYSA-N -1 3 377.404 3.881 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C2CCCC2)nc1C ZINC000821412127 599144140 /nfs/dbraw/zinc/14/41/40/599144140.db2.gz IHWUYTHJGQIHDF-UHFFFAOYSA-N -1 3 398.492 3.940 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c2)cs1 ZINC000822418961 599148975 /nfs/dbraw/zinc/14/89/75/599148975.db2.gz KRCPUSCVCZQOCX-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c2)cs1 ZINC000822418961 599148978 /nfs/dbraw/zinc/14/89/78/599148978.db2.gz KRCPUSCVCZQOCX-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CC(C)(C)[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597694 599162438 /nfs/dbraw/zinc/16/24/38/599162438.db2.gz SJRAEDSXNTUSQG-PKOBYXMFSA-N -1 3 396.539 3.510 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000823235377 599165666 /nfs/dbraw/zinc/16/56/66/599165666.db2.gz SPQBRRCNCHNPGC-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000823235377 599165669 /nfs/dbraw/zinc/16/56/69/599165669.db2.gz SPQBRRCNCHNPGC-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM CCCC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cc(C)on1 ZINC000736439195 599172783 /nfs/dbraw/zinc/17/27/83/599172783.db2.gz SANSLDSFIRFVND-CQSZACIVSA-N -1 3 390.444 3.592 20 0 GHADHM CCCC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cc(C)on1 ZINC000736439195 599172786 /nfs/dbraw/zinc/17/27/86/599172786.db2.gz SANSLDSFIRFVND-CQSZACIVSA-N -1 3 390.444 3.592 20 0 GHADHM CCCC[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cc(C)on1 ZINC000736439194 599173311 /nfs/dbraw/zinc/17/33/11/599173311.db2.gz SANSLDSFIRFVND-AWEZNQCLSA-N -1 3 390.444 3.592 20 0 GHADHM CCCC[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cc(C)on1 ZINC000736439194 599173312 /nfs/dbraw/zinc/17/33/12/599173312.db2.gz SANSLDSFIRFVND-AWEZNQCLSA-N -1 3 390.444 3.592 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1sc2ccccc2c1Cl ZINC000823242287 599179694 /nfs/dbraw/zinc/17/96/94/599179694.db2.gz TZTZIHNYOBWJCB-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1sc2ccccc2c1Cl ZINC000823242287 599179695 /nfs/dbraw/zinc/17/96/95/599179695.db2.gz TZTZIHNYOBWJCB-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000737025818 599180337 /nfs/dbraw/zinc/18/03/37/599180337.db2.gz NRQYPNJHPDAANV-JTQLQIEISA-N -1 3 392.337 3.603 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000737025818 599180340 /nfs/dbraw/zinc/18/03/40/599180340.db2.gz NRQYPNJHPDAANV-JTQLQIEISA-N -1 3 392.337 3.603 20 0 GHADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737305917 599180418 /nfs/dbraw/zinc/18/04/18/599180418.db2.gz KPOURPAQNQUDNG-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737305917 599180420 /nfs/dbraw/zinc/18/04/20/599180420.db2.gz KPOURPAQNQUDNG-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Sc1ccccc1 ZINC000461098569 599181048 /nfs/dbraw/zinc/18/10/48/599181048.db2.gz ASJNUQFNHLTYAC-UHFFFAOYSA-N -1 3 387.468 3.948 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Sc1ccccc1 ZINC000461098569 599181051 /nfs/dbraw/zinc/18/10/51/599181051.db2.gz ASJNUQFNHLTYAC-UHFFFAOYSA-N -1 3 387.468 3.948 20 0 GHADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000735513313 599182086 /nfs/dbraw/zinc/18/20/86/599182086.db2.gz KRBMCMDHDVDXPO-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000735513313 599182088 /nfs/dbraw/zinc/18/20/88/599182088.db2.gz KRBMCMDHDVDXPO-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000735829736 599184172 /nfs/dbraw/zinc/18/41/72/599184172.db2.gz NBRYZQQTFSWRBG-HNNXBMFYSA-N -1 3 381.455 3.794 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000735829736 599184175 /nfs/dbraw/zinc/18/41/75/599184175.db2.gz NBRYZQQTFSWRBG-HNNXBMFYSA-N -1 3 381.455 3.794 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000736036732 599189679 /nfs/dbraw/zinc/18/96/79/599189679.db2.gz HFMROPJNLTXGAN-ZIAGYGMSSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000736036732 599189680 /nfs/dbraw/zinc/18/96/80/599189680.db2.gz HFMROPJNLTXGAN-ZIAGYGMSSA-N -1 3 384.411 3.510 20 0 GHADHM CC(C)(C)C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000735597200 599187533 /nfs/dbraw/zinc/18/75/33/599187533.db2.gz NHVRJRQXIMKJSY-UHFFFAOYSA-N -1 3 394.426 3.758 20 0 GHADHM CC(C)(C)C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000735597200 599187535 /nfs/dbraw/zinc/18/75/35/599187535.db2.gz NHVRJRQXIMKJSY-UHFFFAOYSA-N -1 3 394.426 3.758 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820666258 599190426 /nfs/dbraw/zinc/19/04/26/599190426.db2.gz HIQRZUJYPQGYBC-KQGQNIBLSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820666258 599190429 /nfs/dbraw/zinc/19/04/29/599190429.db2.gz HIQRZUJYPQGYBC-KQGQNIBLSA-N -1 3 377.423 3.629 20 0 GHADHM O=C(NCCC1CC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823183157 599192127 /nfs/dbraw/zinc/19/21/27/599192127.db2.gz SCNYOBYVUQHVIX-UHFFFAOYSA-N -1 3 379.489 3.689 20 0 GHADHM O=C(NCCC1CC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823183157 599192130 /nfs/dbraw/zinc/19/21/30/599192130.db2.gz SCNYOBYVUQHVIX-UHFFFAOYSA-N -1 3 379.489 3.689 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000820518383 599192834 /nfs/dbraw/zinc/19/28/34/599192834.db2.gz CMBBEMFUJPDICH-MRXNPFEDSA-N -1 3 399.454 3.964 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821034941 599195308 /nfs/dbraw/zinc/19/53/08/599195308.db2.gz WYPHUPINQUSSOG-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821034941 599195310 /nfs/dbraw/zinc/19/53/10/599195310.db2.gz WYPHUPINQUSSOG-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM COCCN(C(=O)c1ccc(SC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987817 599205441 /nfs/dbraw/zinc/20/54/41/599205441.db2.gz GNBPXPCAVDSEFL-UHFFFAOYSA-N -1 3 397.504 3.660 20 0 GHADHM COCCN(C(=O)c1ccc(SC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987817 599205443 /nfs/dbraw/zinc/20/54/43/599205443.db2.gz GNBPXPCAVDSEFL-UHFFFAOYSA-N -1 3 397.504 3.660 20 0 GHADHM CS[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737171740 599210953 /nfs/dbraw/zinc/21/09/53/599210953.db2.gz PMJFUPSBKABXQQ-LBPRGKRZSA-N -1 3 387.896 3.805 20 0 GHADHM CS[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737171740 599210957 /nfs/dbraw/zinc/21/09/57/599210957.db2.gz PMJFUPSBKABXQQ-LBPRGKRZSA-N -1 3 387.896 3.805 20 0 GHADHM O=C(C[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737821788 599211607 /nfs/dbraw/zinc/21/16/07/599211607.db2.gz NAKVSLBINSZFBA-GOSISDBHSA-N -1 3 397.866 3.622 20 0 GHADHM O=C(C[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737821788 599211610 /nfs/dbraw/zinc/21/16/10/599211610.db2.gz NAKVSLBINSZFBA-GOSISDBHSA-N -1 3 397.866 3.622 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822231762 599221581 /nfs/dbraw/zinc/22/15/81/599221581.db2.gz GRQYINAKDOPPAF-JOQOYGCGSA-N -1 3 395.463 3.535 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821825370 599226328 /nfs/dbraw/zinc/22/63/28/599226328.db2.gz YRYNVVOSDHNNOR-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821825370 599226329 /nfs/dbraw/zinc/22/63/29/599226329.db2.gz YRYNVVOSDHNNOR-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1ccc2ccccc2c1 ZINC000822761724 599229393 /nfs/dbraw/zinc/22/93/93/599229393.db2.gz RNGMFMKYWYKJQF-UHFFFAOYSA-N -1 3 378.436 3.646 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1ccc2ccccc2c1 ZINC000822761724 599229394 /nfs/dbraw/zinc/22/93/94/599229394.db2.gz RNGMFMKYWYKJQF-UHFFFAOYSA-N -1 3 378.436 3.646 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000735964385 599230369 /nfs/dbraw/zinc/23/03/69/599230369.db2.gz ZJFJKYAPCUKNIE-UHFFFAOYSA-N -1 3 393.476 3.528 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000735964385 599230372 /nfs/dbraw/zinc/23/03/72/599230372.db2.gz ZJFJKYAPCUKNIE-UHFFFAOYSA-N -1 3 393.476 3.528 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000737833644 599227299 /nfs/dbraw/zinc/22/72/99/599227299.db2.gz ZCLPWGVDGGNYGB-XYJFISCASA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000737833644 599227301 /nfs/dbraw/zinc/22/73/01/599227301.db2.gz ZCLPWGVDGGNYGB-XYJFISCASA-N -1 3 383.496 3.501 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000736402831 599228602 /nfs/dbraw/zinc/22/86/02/599228602.db2.gz OUHCPNYPNFWAFP-GFCCVEGCSA-N -1 3 386.525 3.513 20 0 GHADHM FC(F)(F)Cc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822718315 599229144 /nfs/dbraw/zinc/22/91/44/599229144.db2.gz HQSFBTVQHXLJDE-UHFFFAOYSA-N -1 3 378.383 3.780 20 0 GHADHM FC(F)(F)Cc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822718315 599229146 /nfs/dbraw/zinc/22/91/46/599229146.db2.gz HQSFBTVQHXLJDE-UHFFFAOYSA-N -1 3 378.383 3.780 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822060251 607268727 /nfs/dbraw/zinc/26/87/27/607268727.db2.gz GFBLJJLXUOWXDA-HUUCEWRRSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822060251 607268728 /nfs/dbraw/zinc/26/87/28/607268728.db2.gz GFBLJJLXUOWXDA-HUUCEWRRSA-N -1 3 398.264 3.680 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000823238936 599239283 /nfs/dbraw/zinc/23/92/83/599239283.db2.gz UHVAKYFQGBFHLK-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000823238936 599239285 /nfs/dbraw/zinc/23/92/85/599239285.db2.gz UHVAKYFQGBFHLK-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM Cc1c(NC(=O)Cc2csc(-c3cccs3)n2)cccc1-c1nnn[n-]1 ZINC000822075835 607268141 /nfs/dbraw/zinc/26/81/41/607268141.db2.gz JKWCKYWBPMSVEK-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM Cc1c(NC(=O)Cc2csc(-c3cccs3)n2)cccc1-c1nn[n-]n1 ZINC000822075835 607268142 /nfs/dbraw/zinc/26/81/42/607268142.db2.gz JKWCKYWBPMSVEK-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC2CCCCC2)cc1 ZINC000738117426 599247211 /nfs/dbraw/zinc/24/72/11/599247211.db2.gz SAUPBJNQMFXYTE-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC2CCCCC2)cc1 ZINC000738117426 599247212 /nfs/dbraw/zinc/24/72/12/599247212.db2.gz SAUPBJNQMFXYTE-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000737063640 599249145 /nfs/dbraw/zinc/24/91/45/599249145.db2.gz ZVUSFCUCLSXDPL-UHFFFAOYSA-N -1 3 393.447 3.839 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000737063640 599249148 /nfs/dbraw/zinc/24/91/48/599249148.db2.gz ZVUSFCUCLSXDPL-UHFFFAOYSA-N -1 3 393.447 3.839 20 0 GHADHM CCc1cccc2c(CCNC(=O)Nc3cccc(-c4nnn[n-]4)c3C)c[nH]c21 ZINC000821491949 607288899 /nfs/dbraw/zinc/28/88/99/607288899.db2.gz DQRSFFBVTXXSHN-UHFFFAOYSA-N -1 3 389.463 3.583 20 0 GHADHM CCc1cccc2c(CCNC(=O)Nc3cccc(-c4nn[n-]n4)c3C)c[nH]c21 ZINC000821491949 607288900 /nfs/dbraw/zinc/28/89/00/607288900.db2.gz DQRSFFBVTXXSHN-UHFFFAOYSA-N -1 3 389.463 3.583 20 0 GHADHM FC(F)(F)[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000737627863 599256603 /nfs/dbraw/zinc/25/66/03/599256603.db2.gz RHGXRDNRQJELSU-SECBINFHSA-N -1 3 382.777 3.847 20 0 GHADHM FC(F)(F)[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000737627863 599256605 /nfs/dbraw/zinc/25/66/05/599256605.db2.gz RHGXRDNRQJELSU-SECBINFHSA-N -1 3 382.777 3.847 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccccc1Cl ZINC000822115527 607296144 /nfs/dbraw/zinc/29/61/44/607296144.db2.gz FJGJTELIBGJYSE-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccccc1Cl ZINC000822115527 607296145 /nfs/dbraw/zinc/29/61/45/607296145.db2.gz FJGJTELIBGJYSE-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCOc1ccc(Br)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821418069 607314110 /nfs/dbraw/zinc/31/41/10/607314110.db2.gz VPVLGLFXRWSJQP-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM CCOc1ccc(Br)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821418069 607314111 /nfs/dbraw/zinc/31/41/11/607314111.db2.gz VPVLGLFXRWSJQP-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM COc1ccc(CNc2ccc(-c3nc(C)c(C)o3)cc2)cc1-c1nnn[n-]1 ZINC000821821750 607314258 /nfs/dbraw/zinc/31/42/58/607314258.db2.gz VEDBPOPGGJXTQS-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM COc1ccc(CNc2ccc(-c3nc(C)c(C)o3)cc2)cc1-c1nn[n-]n1 ZINC000821821750 607314259 /nfs/dbraw/zinc/31/42/59/607314259.db2.gz VEDBPOPGGJXTQS-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM O=C(Nc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1)N1CCCCCC1 ZINC000823350396 607315245 /nfs/dbraw/zinc/31/52/45/607315245.db2.gz LODZSPREIRRXKQ-UHFFFAOYSA-N -1 3 397.508 3.948 20 0 GHADHM O=C(Nc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1)N1CCCCCC1 ZINC000823350396 607315246 /nfs/dbraw/zinc/31/52/46/607315246.db2.gz LODZSPREIRRXKQ-UHFFFAOYSA-N -1 3 397.508 3.948 20 0 GHADHM CC(C)OCc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820146015 599266293 /nfs/dbraw/zinc/26/62/93/599266293.db2.gz IMVPWFOUSJCHDY-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM CC(C)OCc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820146015 599266295 /nfs/dbraw/zinc/26/62/95/599266295.db2.gz IMVPWFOUSJCHDY-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820913314 599271187 /nfs/dbraw/zinc/27/11/87/599271187.db2.gz FHGPJDKQYHAVIM-QGZVFWFLSA-N -1 3 394.479 3.669 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820913314 599271188 /nfs/dbraw/zinc/27/11/88/599271188.db2.gz FHGPJDKQYHAVIM-QGZVFWFLSA-N -1 3 394.479 3.669 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000821762620 599274314 /nfs/dbraw/zinc/27/43/14/599274314.db2.gz NISGFTSSACURAW-SJCJKPOMSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000821762620 599274316 /nfs/dbraw/zinc/27/43/16/599274316.db2.gz NISGFTSSACURAW-SJCJKPOMSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000821762621 599274714 /nfs/dbraw/zinc/27/47/14/599274714.db2.gz NISGFTSSACURAW-SJKOYZFVSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000821762621 599274715 /nfs/dbraw/zinc/27/47/15/599274715.db2.gz NISGFTSSACURAW-SJKOYZFVSA-N -1 3 396.426 3.629 20 0 GHADHM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820570587 599285589 /nfs/dbraw/zinc/28/55/89/599285589.db2.gz NGVLVRJVKRKKRT-JTQLQIEISA-N -1 3 391.357 3.505 20 0 GHADHM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820570587 599285591 /nfs/dbraw/zinc/28/55/91/599285591.db2.gz NGVLVRJVKRKKRT-JTQLQIEISA-N -1 3 391.357 3.505 20 0 GHADHM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820253567 599285949 /nfs/dbraw/zinc/28/59/49/599285949.db2.gz JXEUNKWISHGFNO-SNVBAGLBSA-N -1 3 394.357 3.621 20 0 GHADHM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820253567 599285951 /nfs/dbraw/zinc/28/59/51/599285951.db2.gz JXEUNKWISHGFNO-SNVBAGLBSA-N -1 3 394.357 3.621 20 0 GHADHM Cc1cccc(-c2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2C)c1 ZINC000737380046 599288502 /nfs/dbraw/zinc/28/85/02/599288502.db2.gz LHERTNLRTXOZOV-CYBMUJFWSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1cccc(-c2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2C)c1 ZINC000737380046 599288505 /nfs/dbraw/zinc/28/85/05/599288505.db2.gz LHERTNLRTXOZOV-CYBMUJFWSA-N -1 3 377.477 3.824 20 0 GHADHM C[C@@H](Sc1nnc(NCC(F)(F)F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194000 599289520 /nfs/dbraw/zinc/28/95/20/599289520.db2.gz VYCMDYIFHKSOAG-SSDOTTSWSA-N -1 3 387.416 3.546 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000822427649 599290450 /nfs/dbraw/zinc/29/04/50/599290450.db2.gz SOYQVGFSTMCABB-SSDOTTSWSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000822427649 599290452 /nfs/dbraw/zinc/29/04/52/599290452.db2.gz SOYQVGFSTMCABB-SSDOTTSWSA-N -1 3 397.386 3.533 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CSc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736278570 599291375 /nfs/dbraw/zinc/29/13/75/599291375.db2.gz HITAIFSVUYMEQU-ZWNOBZJWSA-N -1 3 397.529 3.881 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CSc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736278570 599291377 /nfs/dbraw/zinc/29/13/77/599291377.db2.gz HITAIFSVUYMEQU-ZWNOBZJWSA-N -1 3 397.529 3.881 20 0 GHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000820149577 598203610 /nfs/dbraw/zinc/20/36/10/598203610.db2.gz ZFHJWMWGUKPDNU-OAHLLOKOSA-N -1 3 375.428 3.883 20 0 GHADHM O=C(COC1CCCCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737915641 598232096 /nfs/dbraw/zinc/23/20/96/598232096.db2.gz LDBIMRVYTBGBIZ-UHFFFAOYSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(COC1CCCCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737915641 598232098 /nfs/dbraw/zinc/23/20/98/598232098.db2.gz LDBIMRVYTBGBIZ-UHFFFAOYSA-N -1 3 393.447 3.947 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736170958 598239238 /nfs/dbraw/zinc/23/92/38/598239238.db2.gz TWERCYAMDFIIDD-OAHLLOKOSA-N -1 3 393.491 3.809 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000736114291 598276524 /nfs/dbraw/zinc/27/65/24/598276524.db2.gz AHXGJBNHEIMFRK-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000736114291 598276525 /nfs/dbraw/zinc/27/65/25/598276525.db2.gz AHXGJBNHEIMFRK-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cnc(C4CC4)s3)c2-c2nnn[n-]2)C1 ZINC000736277609 598277517 /nfs/dbraw/zinc/27/75/17/598277517.db2.gz AMLMSOYRSZHSCY-MRVPVSSYSA-N -1 3 386.506 3.639 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cnc(C4CC4)s3)c2-c2nn[n-]n2)C1 ZINC000736277609 598277519 /nfs/dbraw/zinc/27/75/19/598277519.db2.gz AMLMSOYRSZHSCY-MRVPVSSYSA-N -1 3 386.506 3.639 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1OC ZINC000736361674 598278267 /nfs/dbraw/zinc/27/82/67/598278267.db2.gz HIQCOOCXVIPOPK-HNNXBMFYSA-N -1 3 397.483 3.705 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1OC ZINC000736361674 598278268 /nfs/dbraw/zinc/27/82/68/598278268.db2.gz HIQCOOCXVIPOPK-HNNXBMFYSA-N -1 3 397.483 3.705 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736179250 598279599 /nfs/dbraw/zinc/27/95/99/598279599.db2.gz BSUAJAPOXCRSOV-ZDUSSCGKSA-N -1 3 383.427 3.560 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736179250 598279600 /nfs/dbraw/zinc/27/96/00/598279600.db2.gz BSUAJAPOXCRSOV-ZDUSSCGKSA-N -1 3 383.427 3.560 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000736637560 598292495 /nfs/dbraw/zinc/29/24/95/598292495.db2.gz SLGQYSUKLOCCDM-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000736637560 598292497 /nfs/dbraw/zinc/29/24/97/598292497.db2.gz SLGQYSUKLOCCDM-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736652786 598292650 /nfs/dbraw/zinc/29/26/50/598292650.db2.gz BNNLOPVHQZNXLB-HNNXBMFYSA-N -1 3 396.451 3.547 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736652786 598292652 /nfs/dbraw/zinc/29/26/52/598292652.db2.gz BNNLOPVHQZNXLB-HNNXBMFYSA-N -1 3 396.451 3.547 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737464689 598296276 /nfs/dbraw/zinc/29/62/76/598296276.db2.gz UWWSBWGNKLCNLI-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737464689 598296277 /nfs/dbraw/zinc/29/62/77/598296277.db2.gz UWWSBWGNKLCNLI-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736184333 598307728 /nfs/dbraw/zinc/30/77/28/598307728.db2.gz YTBUKUBFEFKOTF-CYBMUJFWSA-N -1 3 397.454 3.734 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736184333 598307729 /nfs/dbraw/zinc/30/77/29/598307729.db2.gz YTBUKUBFEFKOTF-CYBMUJFWSA-N -1 3 397.454 3.734 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822206172 607349792 /nfs/dbraw/zinc/34/97/92/607349792.db2.gz WZLJWKPTBVMZMB-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822206172 607349793 /nfs/dbraw/zinc/34/97/93/607349793.db2.gz WZLJWKPTBVMZMB-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000736118361 598317441 /nfs/dbraw/zinc/31/74/41/598317441.db2.gz NLMFPIVGNUZAGG-ZDUSSCGKSA-N -1 3 396.470 3.864 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000736118361 598317442 /nfs/dbraw/zinc/31/74/42/598317442.db2.gz NLMFPIVGNUZAGG-ZDUSSCGKSA-N -1 3 396.470 3.864 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736816262 598318877 /nfs/dbraw/zinc/31/88/77/598318877.db2.gz CSCBWOZHUPDADF-UHFFFAOYSA-N -1 3 394.838 3.627 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736816262 598318879 /nfs/dbraw/zinc/31/88/79/598318879.db2.gz CSCBWOZHUPDADF-UHFFFAOYSA-N -1 3 394.838 3.627 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736327523 598321848 /nfs/dbraw/zinc/32/18/48/598321848.db2.gz MEABULHBYNZCHV-RDRICISKSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736327523 598321850 /nfs/dbraw/zinc/32/18/50/598321850.db2.gz MEABULHBYNZCHV-RDRICISKSA-N -1 3 378.432 3.801 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000736126918 598321989 /nfs/dbraw/zinc/32/19/89/598321989.db2.gz PIKGVLFJLWEWGQ-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC000736126918 598321991 /nfs/dbraw/zinc/32/19/91/598321991.db2.gz PIKGVLFJLWEWGQ-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM Fc1cccc2c1CC[C@@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737663182 598322378 /nfs/dbraw/zinc/32/23/78/598322378.db2.gz HFMSDSJJLBCVMN-HNNXBMFYSA-N -1 3 388.859 3.633 20 0 GHADHM Fc1cccc2c1CC[C@@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737663182 598322380 /nfs/dbraw/zinc/32/23/80/598322380.db2.gz HFMSDSJJLBCVMN-HNNXBMFYSA-N -1 3 388.859 3.633 20 0 GHADHM COc1ccc(NC(=S)N(c2cccc(-c3nnn[n-]3)c2)C(C)C)cc1F ZINC000737104622 598324545 /nfs/dbraw/zinc/32/45/45/598324545.db2.gz SHIXZCHZVYGSKT-UHFFFAOYSA-N -1 3 386.456 3.626 20 0 GHADHM COc1ccc(NC(=S)N(c2cccc(-c3nn[n-]n3)c2)C(C)C)cc1F ZINC000737104622 598324547 /nfs/dbraw/zinc/32/45/47/598324547.db2.gz SHIXZCHZVYGSKT-UHFFFAOYSA-N -1 3 386.456 3.626 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735796471 598324930 /nfs/dbraw/zinc/32/49/30/598324930.db2.gz CEIPNQYZSMRHNM-HNNXBMFYSA-N -1 3 397.479 3.983 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735796471 598324932 /nfs/dbraw/zinc/32/49/32/598324932.db2.gz CEIPNQYZSMRHNM-HNNXBMFYSA-N -1 3 397.479 3.983 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247139 598327089 /nfs/dbraw/zinc/32/70/89/598327089.db2.gz AIPMRJIFERMDRH-PBHICJAKSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247139 598327092 /nfs/dbraw/zinc/32/70/92/598327092.db2.gz AIPMRJIFERMDRH-PBHICJAKSA-N -1 3 395.463 3.689 20 0 GHADHM COc1ccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737096774 598352797 /nfs/dbraw/zinc/35/27/97/598352797.db2.gz YBFCUOPUVZCUPU-UHFFFAOYSA-N -1 3 378.358 3.518 20 0 GHADHM COc1ccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737096774 598352799 /nfs/dbraw/zinc/35/27/99/598352799.db2.gz YBFCUOPUVZCUPU-UHFFFAOYSA-N -1 3 378.358 3.518 20 0 GHADHM c1ccc(-c2nnc(SCCOc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000738423180 598359785 /nfs/dbraw/zinc/35/97/85/598359785.db2.gz OUTHMQFKSQMHSQ-UHFFFAOYSA-N -1 3 382.474 3.556 20 0 GHADHM c1ccc(-c2nnc(SCCOc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000738423180 598359786 /nfs/dbraw/zinc/35/97/86/598359786.db2.gz OUTHMQFKSQMHSQ-UHFFFAOYSA-N -1 3 382.474 3.556 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737148686 598360922 /nfs/dbraw/zinc/36/09/22/598360922.db2.gz UFSIEEYGBMOKHT-QQBSYFJQSA-N -1 3 389.459 3.642 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737148686 598360923 /nfs/dbraw/zinc/36/09/23/598360923.db2.gz UFSIEEYGBMOKHT-QQBSYFJQSA-N -1 3 389.459 3.642 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113471 598361887 /nfs/dbraw/zinc/36/18/87/598361887.db2.gz OLXLADWLORGKMU-OXJNMPFZSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113471 598361889 /nfs/dbraw/zinc/36/18/89/598361889.db2.gz OLXLADWLORGKMU-OXJNMPFZSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1nc(C)c(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000737473589 598377106 /nfs/dbraw/zinc/37/71/06/598377106.db2.gz KOSNTAGIAISBRL-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1nc(C)c(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000737473589 598377108 /nfs/dbraw/zinc/37/71/08/598377108.db2.gz KOSNTAGIAISBRL-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccc(-c3nnn[n-]3)cc1)C(C)C)CC2 ZINC000737371875 598393130 /nfs/dbraw/zinc/39/31/30/598393130.db2.gz OJLOAYJDBYTTIZ-HXUWFJFHSA-N -1 3 390.491 3.783 20 0 GHADHM Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccc(-c3nn[n-]n3)cc1)C(C)C)CC2 ZINC000737371875 598393132 /nfs/dbraw/zinc/39/31/32/598393132.db2.gz OJLOAYJDBYTTIZ-HXUWFJFHSA-N -1 3 390.491 3.783 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737815593 598396743 /nfs/dbraw/zinc/39/67/43/598396743.db2.gz YICBEKJAYOTCSN-UHFFFAOYSA-N -1 3 380.477 3.743 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737815593 598396745 /nfs/dbraw/zinc/39/67/45/598396745.db2.gz YICBEKJAYOTCSN-UHFFFAOYSA-N -1 3 380.477 3.743 20 0 GHADHM Cc1ccccc1Oc1ccccc1CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737431558 598397911 /nfs/dbraw/zinc/39/79/11/598397911.db2.gz KGEKGINWSFMFKY-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM Cc1ccccc1Oc1ccccc1CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737431558 598397913 /nfs/dbraw/zinc/39/79/13/598397913.db2.gz KGEKGINWSFMFKY-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000104367884 598413666 /nfs/dbraw/zinc/41/36/66/598413666.db2.gz PYDPWQKBGFJUKR-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000104367884 598413668 /nfs/dbraw/zinc/41/36/68/598413668.db2.gz PYDPWQKBGFJUKR-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000736192214 598415111 /nfs/dbraw/zinc/41/51/11/598415111.db2.gz LMRBWKZORJMDDJ-CQSZACIVSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000736192214 598415114 /nfs/dbraw/zinc/41/51/14/598415114.db2.gz LMRBWKZORJMDDJ-CQSZACIVSA-N -1 3 394.504 3.586 20 0 GHADHM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735670449 598417878 /nfs/dbraw/zinc/41/78/78/598417878.db2.gz PXLURSOLQVZBBD-UHFFFAOYSA-N -1 3 389.381 3.593 20 0 GHADHM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735670449 598417879 /nfs/dbraw/zinc/41/78/79/598417879.db2.gz PXLURSOLQVZBBD-UHFFFAOYSA-N -1 3 389.381 3.593 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C(F)(F)F)cc1 ZINC000736625964 598418765 /nfs/dbraw/zinc/41/87/65/598418765.db2.gz IGAFVLWDQAZWHN-UHFFFAOYSA-N -1 3 394.353 3.742 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C(F)(F)F)cc1 ZINC000736625964 598418766 /nfs/dbraw/zinc/41/87/66/598418766.db2.gz IGAFVLWDQAZWHN-UHFFFAOYSA-N -1 3 394.353 3.742 20 0 GHADHM CCCCN(C)c1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453633 598419046 /nfs/dbraw/zinc/41/90/46/598419046.db2.gz RWCMCWIGWOEMDM-UHFFFAOYSA-N -1 3 381.509 3.912 20 0 GHADHM CCCCN(C)c1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453633 598419048 /nfs/dbraw/zinc/41/90/48/598419048.db2.gz RWCMCWIGWOEMDM-UHFFFAOYSA-N -1 3 381.509 3.912 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452553 598424321 /nfs/dbraw/zinc/42/43/21/598424321.db2.gz FEOLLFPNEHYUBW-OAHLLOKOSA-N -1 3 394.479 3.509 20 0 GHADHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735582969 598425648 /nfs/dbraw/zinc/42/56/48/598425648.db2.gz QARDMWJDDPWEIR-UHFFFAOYSA-N -1 3 390.365 3.907 20 0 GHADHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735582969 598425650 /nfs/dbraw/zinc/42/56/50/598425650.db2.gz QARDMWJDDPWEIR-UHFFFAOYSA-N -1 3 390.365 3.907 20 0 GHADHM COc1cc(C)ccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737039777 598427005 /nfs/dbraw/zinc/42/70/05/598427005.db2.gz KFEIGZOPPHYGOV-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM COc1cc(C)ccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737039777 598427007 /nfs/dbraw/zinc/42/70/07/598427007.db2.gz KFEIGZOPPHYGOV-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738211318 598437395 /nfs/dbraw/zinc/43/73/95/598437395.db2.gz MVGXFLDEMZPPLO-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738211318 598437397 /nfs/dbraw/zinc/43/73/97/598437397.db2.gz MVGXFLDEMZPPLO-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000736468178 598446737 /nfs/dbraw/zinc/44/67/37/598446737.db2.gz JSEUSPDPOJPXFK-ZDUSSCGKSA-N -1 3 376.420 3.621 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000736468178 598446738 /nfs/dbraw/zinc/44/67/38/598446738.db2.gz JSEUSPDPOJPXFK-ZDUSSCGKSA-N -1 3 376.420 3.621 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736166984 598450212 /nfs/dbraw/zinc/45/02/12/598450212.db2.gz BQHFLGOTMYQWPU-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738143498 598456014 /nfs/dbraw/zinc/45/60/14/598456014.db2.gz DRVDOJBBWSVFCR-UHFFFAOYSA-N -1 3 399.389 3.801 20 0 GHADHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738143498 598456016 /nfs/dbraw/zinc/45/60/16/598456016.db2.gz DRVDOJBBWSVFCR-UHFFFAOYSA-N -1 3 399.389 3.801 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738261240 598461577 /nfs/dbraw/zinc/46/15/77/598461577.db2.gz LIMDYICOALWWJA-OAHLLOKOSA-N -1 3 389.246 3.546 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738261240 598461579 /nfs/dbraw/zinc/46/15/79/598461579.db2.gz LIMDYICOALWWJA-OAHLLOKOSA-N -1 3 389.246 3.546 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1)O[C@H](C)C2 ZINC000736637685 598467282 /nfs/dbraw/zinc/46/72/82/598467282.db2.gz YGFQMEXXRGNSLZ-ZUCKAHLUSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736637685 598467284 /nfs/dbraw/zinc/46/72/84/598467284.db2.gz YGFQMEXXRGNSLZ-ZUCKAHLUSA-N -1 3 395.438 3.696 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738385746 598468154 /nfs/dbraw/zinc/46/81/54/598468154.db2.gz YAMNCAFGVQFQJD-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738385746 598468156 /nfs/dbraw/zinc/46/81/56/598468156.db2.gz YAMNCAFGVQFQJD-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H](OC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736229055 598472780 /nfs/dbraw/zinc/47/27/80/598472780.db2.gz PWVWXZFXNREELG-ILXRZTDVSA-N -1 3 399.495 3.589 20 0 GHADHM C[C@H](OC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736229055 598472781 /nfs/dbraw/zinc/47/27/81/598472781.db2.gz PWVWXZFXNREELG-ILXRZTDVSA-N -1 3 399.495 3.589 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000737294788 598476803 /nfs/dbraw/zinc/47/68/03/598476803.db2.gz PYLQUWYDZPCNMH-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000737294788 598476804 /nfs/dbraw/zinc/47/68/04/598476804.db2.gz PYLQUWYDZPCNMH-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2c(n1)onc2C(C)C ZINC000737237623 598482065 /nfs/dbraw/zinc/48/20/65/598482065.db2.gz BEVYLAMJILDZSP-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2c(n1)onc2C(C)C ZINC000737237623 598482067 /nfs/dbraw/zinc/48/20/67/598482067.db2.gz BEVYLAMJILDZSP-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736157894 598484170 /nfs/dbraw/zinc/48/41/70/598484170.db2.gz DULWHMILCQLDPY-ZDUSSCGKSA-N -1 3 387.399 3.552 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736157894 598484172 /nfs/dbraw/zinc/48/41/72/598484172.db2.gz DULWHMILCQLDPY-ZDUSSCGKSA-N -1 3 387.399 3.552 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155056 598489061 /nfs/dbraw/zinc/48/90/61/598489061.db2.gz GLBHTLWGPYLUSF-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155056 598489062 /nfs/dbraw/zinc/48/90/62/598489062.db2.gz GLBHTLWGPYLUSF-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163318 598490850 /nfs/dbraw/zinc/49/08/50/598490850.db2.gz MYGKQGWYMDBDLN-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163318 598490851 /nfs/dbraw/zinc/49/08/51/598490851.db2.gz MYGKQGWYMDBDLN-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCCCOc2ccc3ccccc3c2)n1 ZINC000737471491 598495438 /nfs/dbraw/zinc/49/54/38/598495438.db2.gz RNRXLRFWHCRXKI-UHFFFAOYSA-N -1 3 392.488 3.988 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCCOc2ccc3ccccc3c2)n1 ZINC000737471491 598495440 /nfs/dbraw/zinc/49/54/40/598495440.db2.gz RNRXLRFWHCRXKI-UHFFFAOYSA-N -1 3 392.488 3.988 20 0 GHADHM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738183236 598511209 /nfs/dbraw/zinc/51/12/09/598511209.db2.gz KDXGGFJIUOZFFF-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738183236 598511212 /nfs/dbraw/zinc/51/12/12/598511212.db2.gz KDXGGFJIUOZFFF-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM CCSc1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736665947 598514071 /nfs/dbraw/zinc/51/40/71/598514071.db2.gz JRKPKWFKDVXROF-CYBMUJFWSA-N -1 3 382.493 3.597 20 0 GHADHM CCSc1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736665947 598514073 /nfs/dbraw/zinc/51/40/73/598514073.db2.gz JRKPKWFKDVXROF-CYBMUJFWSA-N -1 3 382.493 3.597 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737857344 598531577 /nfs/dbraw/zinc/53/15/77/598531577.db2.gz OJLFEODVTNXBNQ-UHFFFAOYSA-N -1 3 392.459 3.864 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737857344 598531580 /nfs/dbraw/zinc/53/15/80/598531580.db2.gz OJLFEODVTNXBNQ-UHFFFAOYSA-N -1 3 392.459 3.864 20 0 GHADHM COc1cccc(C2(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737125328 598533041 /nfs/dbraw/zinc/53/30/41/598533041.db2.gz BSXAMKNCJZAHGT-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM COc1cccc(C2(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737125328 598533043 /nfs/dbraw/zinc/53/30/43/598533043.db2.gz BSXAMKNCJZAHGT-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736820967 598533060 /nfs/dbraw/zinc/53/30/60/598533060.db2.gz SGXKIOCJMRCHBE-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736820967 598533062 /nfs/dbraw/zinc/53/30/62/598533062.db2.gz SGXKIOCJMRCHBE-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM Cc1ccc(CN(C(=O)c2sccc2-c2nnn[n-]2)c2ccc(F)cc2)o1 ZINC000737337964 598534761 /nfs/dbraw/zinc/53/47/61/598534761.db2.gz UXLJQIDPVPQYET-UHFFFAOYSA-N -1 3 383.408 3.816 20 0 GHADHM Cc1ccc(CN(C(=O)c2sccc2-c2nn[n-]n2)c2ccc(F)cc2)o1 ZINC000737337964 598534763 /nfs/dbraw/zinc/53/47/63/598534763.db2.gz UXLJQIDPVPQYET-UHFFFAOYSA-N -1 3 383.408 3.816 20 0 GHADHM CC1CCC(N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736238136 598538667 /nfs/dbraw/zinc/53/86/67/598538667.db2.gz BFMNYZNXBATZBS-UHFFFAOYSA-N -1 3 395.463 3.689 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736305958 598541701 /nfs/dbraw/zinc/54/17/01/598541701.db2.gz VVGZIHAOTPJGHL-PRKJJMSOSA-N -1 3 375.432 3.825 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736305958 598541703 /nfs/dbraw/zinc/54/17/03/598541703.db2.gz VVGZIHAOTPJGHL-PRKJJMSOSA-N -1 3 375.432 3.825 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccccc1F ZINC000738173410 598544459 /nfs/dbraw/zinc/54/44/59/598544459.db2.gz QCEOXRFTDGCGMB-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccccc1F ZINC000738173410 598544461 /nfs/dbraw/zinc/54/44/61/598544461.db2.gz QCEOXRFTDGCGMB-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(CCc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737854123 598545616 /nfs/dbraw/zinc/54/56/16/598545616.db2.gz RIILCQQDPVTJEP-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(CCc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737854123 598545617 /nfs/dbraw/zinc/54/56/17/598545617.db2.gz RIILCQQDPVTJEP-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(Cc1cccc2ccccc21)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737969130 598547286 /nfs/dbraw/zinc/54/72/86/598547286.db2.gz OKSGINYJKMBLAJ-UHFFFAOYSA-N -1 3 395.369 3.803 20 0 GHADHM O=C(Cc1cccc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737969130 598547287 /nfs/dbraw/zinc/54/72/87/598547287.db2.gz OKSGINYJKMBLAJ-UHFFFAOYSA-N -1 3 395.369 3.803 20 0 GHADHM CCC1(C)CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736395970 598549559 /nfs/dbraw/zinc/54/95/59/598549559.db2.gz KTNZAJABXMSTKA-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cc(Cl)c[nH]1 ZINC000738173856 598550804 /nfs/dbraw/zinc/55/08/04/598550804.db2.gz UKIXYFGBJVYRDB-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cc(Cl)c[nH]1 ZINC000738173856 598550806 /nfs/dbraw/zinc/55/08/06/598550806.db2.gz UKIXYFGBJVYRDB-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(CCc1ccco1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737860668 598554010 /nfs/dbraw/zinc/55/40/10/598554010.db2.gz MQLPAZHOSJYKIM-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccco1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737860668 598554012 /nfs/dbraw/zinc/55/40/12/598554012.db2.gz MQLPAZHOSJYKIM-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CC[C@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737826098 598555206 /nfs/dbraw/zinc/55/52/06/598555206.db2.gz PHFSYPWWVBFNMW-MRXNPFEDSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(CC[C@H]1CCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737826098 598555208 /nfs/dbraw/zinc/55/52/08/598555208.db2.gz PHFSYPWWVBFNMW-MRXNPFEDSA-N -1 3 379.420 3.557 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sc(C)nc1-c1ccccc1 ZINC000737024673 598557383 /nfs/dbraw/zinc/55/73/83/598557383.db2.gz MPISLFYTLRDKOQ-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sc(C)nc1-c1ccccc1 ZINC000737024673 598557384 /nfs/dbraw/zinc/55/73/84/598557384.db2.gz MPISLFYTLRDKOQ-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000736818699 598558684 /nfs/dbraw/zinc/55/86/84/598558684.db2.gz VSMOLLBMTVGSJB-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000736818699 598558685 /nfs/dbraw/zinc/55/86/85/598558685.db2.gz VSMOLLBMTVGSJB-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000737561580 598568624 /nfs/dbraw/zinc/56/86/24/598568624.db2.gz IXENZBZUKGUCJR-WDEREUQCSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000737561580 598568626 /nfs/dbraw/zinc/56/86/26/598568626.db2.gz IXENZBZUKGUCJR-WDEREUQCSA-N -1 3 375.404 3.565 20 0 GHADHM FC(F)(F)c1cc(NCCc2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737632898 598579755 /nfs/dbraw/zinc/57/97/55/598579755.db2.gz OPJZISNGSBNZST-UHFFFAOYSA-N -1 3 399.380 3.726 20 0 GHADHM FC(F)(F)c1cc(NCCc2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000737632898 598579756 /nfs/dbraw/zinc/57/97/56/598579756.db2.gz OPJZISNGSBNZST-UHFFFAOYSA-N -1 3 399.380 3.726 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737120983 598589237 /nfs/dbraw/zinc/58/92/37/598589237.db2.gz VOTUJBWRWQCHDZ-LBPRGKRZSA-N -1 3 391.406 3.910 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737120983 598589239 /nfs/dbraw/zinc/58/92/39/598589239.db2.gz VOTUJBWRWQCHDZ-LBPRGKRZSA-N -1 3 391.406 3.910 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736302302 598591896 /nfs/dbraw/zinc/59/18/96/598591896.db2.gz GGQFDPCDSDKPTH-HOJFPOIOSA-N -1 3 379.395 3.656 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736302302 598591898 /nfs/dbraw/zinc/59/18/98/598591898.db2.gz GGQFDPCDSDKPTH-HOJFPOIOSA-N -1 3 379.395 3.656 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737423383 598608064 /nfs/dbraw/zinc/60/80/64/598608064.db2.gz PIHKEPNKGGCVAH-OAHLLOKOSA-N -1 3 378.480 3.557 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737423383 598608066 /nfs/dbraw/zinc/60/80/66/598608066.db2.gz PIHKEPNKGGCVAH-OAHLLOKOSA-N -1 3 378.480 3.557 20 0 GHADHM c1ccc(-c2noc(-c3cccc(Oc4ccc(-c5nnn[n-]5)cc4)c3)n2)nc1 ZINC000738425087 598609170 /nfs/dbraw/zinc/60/91/70/598609170.db2.gz KFQPCNYQXRWWAX-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(-c2noc(-c3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)n2)nc1 ZINC000738425087 598609172 /nfs/dbraw/zinc/60/91/72/598609172.db2.gz KFQPCNYQXRWWAX-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM Clc1ccccc1Cc1noc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737584543 598610080 /nfs/dbraw/zinc/61/00/80/598610080.db2.gz RNQAXXSZWKHFSP-UHFFFAOYSA-N -1 3 398.879 3.927 20 0 GHADHM Clc1ccccc1Cc1noc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737584543 598610083 /nfs/dbraw/zinc/61/00/83/598610083.db2.gz RNQAXXSZWKHFSP-UHFFFAOYSA-N -1 3 398.879 3.927 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737576560 598632559 /nfs/dbraw/zinc/63/25/59/598632559.db2.gz ZADBQKPIZLCJMN-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000737576560 598632561 /nfs/dbraw/zinc/63/25/61/598632561.db2.gz ZADBQKPIZLCJMN-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM CC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736322971 598633834 /nfs/dbraw/zinc/63/38/34/598633834.db2.gz SJPQRPXCWLJCNZ-CYBMUJFWSA-N -1 3 398.442 3.847 20 0 GHADHM CC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736322971 598633836 /nfs/dbraw/zinc/63/38/36/598633836.db2.gz SJPQRPXCWLJCNZ-CYBMUJFWSA-N -1 3 398.442 3.847 20 0 GHADHM Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c(-c2nnn[n-]2)c1 ZINC000737650562 598643585 /nfs/dbraw/zinc/64/35/85/598643585.db2.gz SNCYNFZDFZKJOI-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c(-c2nn[n-]n2)c1 ZINC000737650562 598643587 /nfs/dbraw/zinc/64/35/87/598643587.db2.gz SNCYNFZDFZKJOI-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)cc1 ZINC000737365782 598644635 /nfs/dbraw/zinc/64/46/35/598644635.db2.gz LBPZLAZSHPEOBP-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)cc1 ZINC000737365782 598644636 /nfs/dbraw/zinc/64/46/36/598644636.db2.gz LBPZLAZSHPEOBP-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM O=C(NC1CCCCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738025956 598645427 /nfs/dbraw/zinc/64/54/27/598645427.db2.gz NXKXLRAWKQSHFI-UHFFFAOYSA-N -1 3 392.463 3.897 20 0 GHADHM O=C(NC1CCCCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738025956 598645428 /nfs/dbraw/zinc/64/54/28/598645428.db2.gz NXKXLRAWKQSHFI-UHFFFAOYSA-N -1 3 392.463 3.897 20 0 GHADHM CC(C)CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000735817818 598651102 /nfs/dbraw/zinc/65/11/02/598651102.db2.gz FCUXZAWBUYFKNE-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000735817818 598651104 /nfs/dbraw/zinc/65/11/04/598651104.db2.gz FCUXZAWBUYFKNE-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CCN(Cc1ccccc1C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736555322 598651628 /nfs/dbraw/zinc/65/16/28/598651628.db2.gz GBULMORPAHYJJG-UHFFFAOYSA-N -1 3 393.491 3.773 20 0 GHADHM CCN(Cc1ccccc1C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736555322 598651630 /nfs/dbraw/zinc/65/16/30/598651630.db2.gz GBULMORPAHYJJG-UHFFFAOYSA-N -1 3 393.491 3.773 20 0 GHADHM CC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)cn2)CC1 ZINC000736280193 598652938 /nfs/dbraw/zinc/65/29/38/598652938.db2.gz OENGPHFNLSBMDI-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)c(Cl)c3)cn2)CC1 ZINC000736280193 598652940 /nfs/dbraw/zinc/65/29/40/598652940.db2.gz OENGPHFNLSBMDI-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM Cc1cc(C)cc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252335 598653068 /nfs/dbraw/zinc/65/30/68/598653068.db2.gz YVGFIKQUKMPZKX-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1cc(C)cc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252335 598653070 /nfs/dbraw/zinc/65/30/70/598653070.db2.gz YVGFIKQUKMPZKX-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736192742 598661457 /nfs/dbraw/zinc/66/14/57/598661457.db2.gz LYVPXUKEYZAJBM-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736192742 598661458 /nfs/dbraw/zinc/66/14/58/598661458.db2.gz LYVPXUKEYZAJBM-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735597216 598664439 /nfs/dbraw/zinc/66/44/39/598664439.db2.gz NRPPODSSWOALPH-QGZVFWFLSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735597216 598664440 /nfs/dbraw/zinc/66/44/40/598664440.db2.gz NRPPODSSWOALPH-QGZVFWFLSA-N -1 3 392.463 3.705 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332615 598665028 /nfs/dbraw/zinc/66/50/28/598665028.db2.gz QCEGZQNPUZLSPK-GOSISDBHSA-N -1 3 379.489 3.631 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332615 598665029 /nfs/dbraw/zinc/66/50/29/598665029.db2.gz QCEGZQNPUZLSPK-GOSISDBHSA-N -1 3 379.489 3.631 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCCc2ncccc21 ZINC000738272895 598665763 /nfs/dbraw/zinc/66/57/63/598665763.db2.gz GNHSOFKNVBTYML-UHFFFAOYSA-N -1 3 398.426 3.647 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCCc2ncccc21 ZINC000738272895 598665765 /nfs/dbraw/zinc/66/57/65/598665765.db2.gz GNHSOFKNVBTYML-UHFFFAOYSA-N -1 3 398.426 3.647 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cnn2ccccc12 ZINC000738173466 598665838 /nfs/dbraw/zinc/66/58/38/598665838.db2.gz RFXOYWMKYPWMNW-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cnn2ccccc12 ZINC000738173466 598665839 /nfs/dbraw/zinc/66/58/39/598665839.db2.gz RFXOYWMKYPWMNW-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(NC[C@H]1Cc2ccccc21)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738053713 598667199 /nfs/dbraw/zinc/66/71/99/598667199.db2.gz YUXBJFKAGVSNJL-GOSISDBHSA-N -1 3 397.438 3.729 20 0 GHADHM O=C(NC[C@H]1Cc2ccccc21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738053713 598667201 /nfs/dbraw/zinc/66/72/01/598667201.db2.gz YUXBJFKAGVSNJL-GOSISDBHSA-N -1 3 397.438 3.729 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000738389077 598674136 /nfs/dbraw/zinc/67/41/36/598674136.db2.gz WFLUBPPPMMOPOT-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000738389077 598674137 /nfs/dbraw/zinc/67/41/37/598674137.db2.gz WFLUBPPPMMOPOT-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000737850222 598697258 /nfs/dbraw/zinc/69/72/58/598697258.db2.gz NKMRQIGVDGGTQV-UHFFFAOYSA-N -1 3 391.859 3.921 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000737850222 598697259 /nfs/dbraw/zinc/69/72/59/598697259.db2.gz NKMRQIGVDGGTQV-UHFFFAOYSA-N -1 3 391.859 3.921 20 0 GHADHM CCCCOCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736462631 598727253 /nfs/dbraw/zinc/72/72/53/598727253.db2.gz FLFBQSVVWPFZII-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM CCCCOCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736462631 598727254 /nfs/dbraw/zinc/72/72/54/598727254.db2.gz FLFBQSVVWPFZII-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000737425577 598735033 /nfs/dbraw/zinc/73/50/33/598735033.db2.gz AUPLJHHYTLUMKW-LBPRGKRZSA-N -1 3 381.505 3.933 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000737425577 598735034 /nfs/dbraw/zinc/73/50/34/598735034.db2.gz AUPLJHHYTLUMKW-LBPRGKRZSA-N -1 3 381.505 3.933 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccnc(C2CC2)n1 ZINC000738175954 598754289 /nfs/dbraw/zinc/75/42/89/598754289.db2.gz RBZQXFAKTJAGHB-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccnc(C2CC2)n1 ZINC000738175954 598754290 /nfs/dbraw/zinc/75/42/90/598754290.db2.gz RBZQXFAKTJAGHB-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM COCCSc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737015067 598755743 /nfs/dbraw/zinc/75/57/43/598755743.db2.gz SONPJGUIRDDHFV-NSHDSACASA-N -1 3 390.900 3.827 20 0 GHADHM COCCSc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737015067 598755744 /nfs/dbraw/zinc/75/57/44/598755744.db2.gz SONPJGUIRDDHFV-NSHDSACASA-N -1 3 390.900 3.827 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2ccc(Br)cc2)n1 ZINC000737470266 598762588 /nfs/dbraw/zinc/76/25/88/598762588.db2.gz GQTCKMIPLCDCSM-SECBINFHSA-N -1 3 391.298 3.889 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737419862 598764609 /nfs/dbraw/zinc/76/46/09/598764609.db2.gz FWOKVGUQNPRESL-QFBILLFUSA-N -1 3 393.491 3.846 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737419862 598764610 /nfs/dbraw/zinc/76/46/10/598764610.db2.gz FWOKVGUQNPRESL-QFBILLFUSA-N -1 3 393.491 3.846 20 0 GHADHM CC(C)(C)c1nc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000735655462 598765074 /nfs/dbraw/zinc/76/50/74/598765074.db2.gz AAQMMWWDYXAEQG-UHFFFAOYSA-N -1 3 398.536 3.664 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1 ZINC000737356995 598780899 /nfs/dbraw/zinc/78/08/99/598780899.db2.gz LSHAULJDRYNOJX-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736211223 598782272 /nfs/dbraw/zinc/78/22/72/598782272.db2.gz MRBJJOIODFEDRN-CQSZACIVSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736211223 598782273 /nfs/dbraw/zinc/78/22/73/598782273.db2.gz MRBJJOIODFEDRN-CQSZACIVSA-N -1 3 378.436 3.827 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737419192 598782651 /nfs/dbraw/zinc/78/26/51/598782651.db2.gz DQMUGKBCOJHIMQ-LJQANCHMSA-N -1 3 396.470 3.901 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737419192 598782653 /nfs/dbraw/zinc/78/26/53/598782653.db2.gz DQMUGKBCOJHIMQ-LJQANCHMSA-N -1 3 396.470 3.901 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737415407 598782672 /nfs/dbraw/zinc/78/26/72/598782672.db2.gz QOQUWVZUYYMBGF-IBGZPJMESA-N -1 3 378.480 3.714 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737415407 598782673 /nfs/dbraw/zinc/78/26/73/598782673.db2.gz QOQUWVZUYYMBGF-IBGZPJMESA-N -1 3 378.480 3.714 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1c(Cl)cccc1OC(F)F ZINC000737638905 598798905 /nfs/dbraw/zinc/79/89/05/598798905.db2.gz JYNCDXAZENLUIV-UHFFFAOYSA-N -1 3 383.761 3.550 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1c(Cl)cccc1OC(F)F ZINC000737638905 598798906 /nfs/dbraw/zinc/79/89/06/598798906.db2.gz JYNCDXAZENLUIV-UHFFFAOYSA-N -1 3 383.761 3.550 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)s1 ZINC000736678722 598804276 /nfs/dbraw/zinc/80/42/76/598804276.db2.gz GFVDBTKUAQAJGY-MRVPVSSYSA-N -1 3 395.847 3.689 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)s1 ZINC000736678722 598804277 /nfs/dbraw/zinc/80/42/77/598804277.db2.gz GFVDBTKUAQAJGY-MRVPVSSYSA-N -1 3 395.847 3.689 20 0 GHADHM C[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735975460 598805908 /nfs/dbraw/zinc/80/59/08/598805908.db2.gz GYUYDDJTEOGAJU-CQSZACIVSA-N -1 3 379.468 3.597 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736369008 598811853 /nfs/dbraw/zinc/81/18/53/598811853.db2.gz JOXUXFXGKNSAIK-HXUWFJFHSA-N -1 3 392.507 3.742 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736369008 598811856 /nfs/dbraw/zinc/81/18/56/598811856.db2.gz JOXUXFXGKNSAIK-HXUWFJFHSA-N -1 3 392.507 3.742 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822236006 599292978 /nfs/dbraw/zinc/29/29/78/599292978.db2.gz GHBKAUCCKKYWCS-UHFFFAOYSA-N -1 3 396.398 3.919 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822236006 599292979 /nfs/dbraw/zinc/29/29/79/599292979.db2.gz GHBKAUCCKKYWCS-UHFFFAOYSA-N -1 3 396.398 3.919 20 0 GHADHM C[C@@H]1SCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736301202 599302708 /nfs/dbraw/zinc/30/27/08/599302708.db2.gz MNLNJOIGQWOJQY-MGPUTAFESA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1SCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000736301202 599302712 /nfs/dbraw/zinc/30/27/12/599302712.db2.gz MNLNJOIGQWOJQY-MGPUTAFESA-N -1 3 393.516 3.505 20 0 GHADHM CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507547 599312963 /nfs/dbraw/zinc/31/29/63/599312963.db2.gz FGOHRXXTRJBSDS-UHFFFAOYSA-N -1 3 380.433 3.558 20 0 GHADHM CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507547 599312965 /nfs/dbraw/zinc/31/29/65/599312965.db2.gz FGOHRXXTRJBSDS-UHFFFAOYSA-N -1 3 380.433 3.558 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000474600156 599313058 /nfs/dbraw/zinc/31/30/58/599313058.db2.gz HCPIGUDFVKZCGK-OAHLLOKOSA-N -1 3 378.480 3.562 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000474600156 599313061 /nfs/dbraw/zinc/31/30/61/599313061.db2.gz HCPIGUDFVKZCGK-OAHLLOKOSA-N -1 3 378.480 3.562 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735797261 599329650 /nfs/dbraw/zinc/32/96/50/599329650.db2.gz NEPKVSIVDOQSAM-HUUCEWRRSA-N -1 3 375.542 3.992 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735797261 599329653 /nfs/dbraw/zinc/32/96/53/599329653.db2.gz NEPKVSIVDOQSAM-HUUCEWRRSA-N -1 3 375.542 3.992 20 0 GHADHM O=C(C[C@H]1CCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737819615 599340562 /nfs/dbraw/zinc/34/05/62/599340562.db2.gz IJMNCUKWLPQFAL-MRXNPFEDSA-N -1 3 397.866 3.622 20 0 GHADHM O=C(C[C@H]1CCCO1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737819615 599340563 /nfs/dbraw/zinc/34/05/63/599340563.db2.gz IJMNCUKWLPQFAL-MRXNPFEDSA-N -1 3 397.866 3.622 20 0 GHADHM CC(C)[C@@H](CNC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820021812 599346377 /nfs/dbraw/zinc/34/63/77/599346377.db2.gz YXDSWRZXIAPGEX-QGZVFWFLSA-N -1 3 381.505 3.515 20 0 GHADHM CC(C)[C@@H](CNC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820021812 599346379 /nfs/dbraw/zinc/34/63/79/599346379.db2.gz YXDSWRZXIAPGEX-QGZVFWFLSA-N -1 3 381.505 3.515 20 0 GHADHM O=C(c1ccc(Cl)cn1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738257563 599373806 /nfs/dbraw/zinc/37/38/06/599373806.db2.gz HTAKHAYDSZQKMD-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccc(Cl)cn1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738257563 599373809 /nfs/dbraw/zinc/37/38/09/599373809.db2.gz HTAKHAYDSZQKMD-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM COCc1nc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000821695701 599382264 /nfs/dbraw/zinc/38/22/64/599382264.db2.gz DGYFDFKBHWQFRF-UHFFFAOYSA-N -1 3 379.445 3.716 20 0 GHADHM COCc1nc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000821695701 599382267 /nfs/dbraw/zinc/38/22/67/599382267.db2.gz DGYFDFKBHWQFRF-UHFFFAOYSA-N -1 3 379.445 3.716 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000822136221 599385066 /nfs/dbraw/zinc/38/50/66/599385066.db2.gz JVUUXTDWHPJYME-UHFFFAOYSA-N -1 3 397.454 3.520 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415116 607372280 /nfs/dbraw/zinc/37/22/80/607372280.db2.gz RWMOSHYXZDDUAZ-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415116 607372282 /nfs/dbraw/zinc/37/22/82/607372282.db2.gz RWMOSHYXZDDUAZ-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM CCc1cccc(C)c1NC(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821492096 607374497 /nfs/dbraw/zinc/37/44/97/607374497.db2.gz GVFSHQRJXXINKR-UHFFFAOYSA-N -1 3 394.479 3.575 20 0 GHADHM CCc1cccc(C)c1NC(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821492096 607374498 /nfs/dbraw/zinc/37/44/98/607374498.db2.gz GVFSHQRJXXINKR-UHFFFAOYSA-N -1 3 394.479 3.575 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299484 599415212 /nfs/dbraw/zinc/41/52/12/599415212.db2.gz KLNAMGCXKPHJFP-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299484 599415215 /nfs/dbraw/zinc/41/52/15/599415215.db2.gz KLNAMGCXKPHJFP-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM CCCCSc1nnc(SCc2cc(-c3nn[n-]n3)ccc2OC)s1 ZINC000821077599 607376955 /nfs/dbraw/zinc/37/69/55/607376955.db2.gz NAKIMRCQGZZRLN-UHFFFAOYSA-N -1 3 394.551 3.911 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821020347 599434332 /nfs/dbraw/zinc/43/43/32/599434332.db2.gz BAYXVUSUAMLKAL-BEFAXECRSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821020347 599434335 /nfs/dbraw/zinc/43/43/35/599434335.db2.gz BAYXVUSUAMLKAL-BEFAXECRSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000821015036 599444872 /nfs/dbraw/zinc/44/48/72/599444872.db2.gz NCXZWVKTYJALAB-AWEZNQCLSA-N -1 3 397.483 3.681 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000821015036 599444875 /nfs/dbraw/zinc/44/48/75/599444875.db2.gz NCXZWVKTYJALAB-AWEZNQCLSA-N -1 3 397.483 3.681 20 0 GHADHM c1csc(-c2cc(CSCCOc3cccc(-c4nnn[n-]4)c3)no2)c1 ZINC000738418969 599453257 /nfs/dbraw/zinc/45/32/57/599453257.db2.gz KLFZFWLEAYEKNK-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM c1csc(-c2cc(CSCCOc3cccc(-c4nn[n-]n4)c3)no2)c1 ZINC000738418969 599453258 /nfs/dbraw/zinc/45/32/58/599453258.db2.gz KLFZFWLEAYEKNK-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375141 599476882 /nfs/dbraw/zinc/47/68/82/599476882.db2.gz YKBUPGJTUZPYON-CQSZACIVSA-N -1 3 394.479 3.604 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375141 599476884 /nfs/dbraw/zinc/47/68/84/599476884.db2.gz YKBUPGJTUZPYON-CQSZACIVSA-N -1 3 394.479 3.604 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821220923 599479737 /nfs/dbraw/zinc/47/97/37/599479737.db2.gz GFDXVXUUOSTHOF-CYBMUJFWSA-N -1 3 384.871 3.813 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821220923 599479739 /nfs/dbraw/zinc/47/97/39/599479739.db2.gz GFDXVXUUOSTHOF-CYBMUJFWSA-N -1 3 384.871 3.813 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341817 599485029 /nfs/dbraw/zinc/48/50/29/599485029.db2.gz RTNGCJDZJUWDHN-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341817 599485031 /nfs/dbraw/zinc/48/50/31/599485031.db2.gz RTNGCJDZJUWDHN-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000737290778 599502836 /nfs/dbraw/zinc/50/28/36/599502836.db2.gz GDIKAZFYTWMXMY-CZUORRHYSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000737290778 599502838 /nfs/dbraw/zinc/50/28/38/599502838.db2.gz GDIKAZFYTWMXMY-CZUORRHYSA-N -1 3 380.427 3.724 20 0 GHADHM O=C(NCCCC1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738054783 599504922 /nfs/dbraw/zinc/50/49/22/599504922.db2.gz IKTOQZBYJXXCKC-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM O=C(NCCCC1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738054783 599504923 /nfs/dbraw/zinc/50/49/23/599504923.db2.gz IKTOQZBYJXXCKC-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM Cc1nc([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)sc1C ZINC000822436889 599511941 /nfs/dbraw/zinc/51/19/41/599511941.db2.gz SVVURKVMUFXJRD-AWEZNQCLSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)sc1C ZINC000822436889 599511943 /nfs/dbraw/zinc/51/19/43/599511943.db2.gz SVVURKVMUFXJRD-AWEZNQCLSA-N -1 3 391.504 3.872 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820233542 607382019 /nfs/dbraw/zinc/38/20/19/607382019.db2.gz KXZGGDPECUFZME-HWPZZCPQSA-N -1 3 395.360 3.949 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000822167936 599517809 /nfs/dbraw/zinc/51/78/09/599517809.db2.gz KBIBNFVGZHYJKN-LBPRGKRZSA-N -1 3 387.390 3.576 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000822167936 599517811 /nfs/dbraw/zinc/51/78/11/599517811.db2.gz KBIBNFVGZHYJKN-LBPRGKRZSA-N -1 3 387.390 3.576 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000736134263 599517823 /nfs/dbraw/zinc/51/78/23/599517823.db2.gz ADXUEFNEFYICPJ-SECBINFHSA-N -1 3 377.326 3.787 20 0 GHADHM O[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCc2ccccc21 ZINC000738391178 599525721 /nfs/dbraw/zinc/52/57/21/599525721.db2.gz WUOAULUBTUTXJF-GOSISDBHSA-N -1 3 389.381 3.522 20 0 GHADHM C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333987 599533373 /nfs/dbraw/zinc/53/33/73/599533373.db2.gz IGVSHQUVOZHYSA-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333987 599533375 /nfs/dbraw/zinc/53/33/75/599533375.db2.gz IGVSHQUVOZHYSA-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000737145540 599537014 /nfs/dbraw/zinc/53/70/14/599537014.db2.gz CTFSWOVAHSZKNO-CYBMUJFWSA-N -1 3 389.381 3.888 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000735905220 599544247 /nfs/dbraw/zinc/54/42/47/599544247.db2.gz YWSNQDPLOOVUNO-CYBMUJFWSA-N -1 3 383.427 3.610 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000735905220 599544248 /nfs/dbraw/zinc/54/42/48/599544248.db2.gz YWSNQDPLOOVUNO-CYBMUJFWSA-N -1 3 383.427 3.610 20 0 GHADHM CCCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000821127527 599546564 /nfs/dbraw/zinc/54/65/64/599546564.db2.gz HUXLLCVNCJWJFD-CQSZACIVSA-N -1 3 386.887 3.854 20 0 GHADHM CCCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821127527 599546566 /nfs/dbraw/zinc/54/65/66/599546566.db2.gz HUXLLCVNCJWJFD-CQSZACIVSA-N -1 3 386.887 3.854 20 0 GHADHM C[C@H](NC(=O)CCCCCc1ccc(O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323287 599552480 /nfs/dbraw/zinc/55/24/80/599552480.db2.gz XAUYXZQNTBULEZ-HNNXBMFYSA-N -1 3 379.464 3.553 20 0 GHADHM C[C@H](NC(=O)CCCCCc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323287 599552482 /nfs/dbraw/zinc/55/24/82/599552482.db2.gz XAUYXZQNTBULEZ-HNNXBMFYSA-N -1 3 379.464 3.553 20 0 GHADHM Fc1ccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000822779246 599560173 /nfs/dbraw/zinc/56/01/73/599560173.db2.gz SCVBULXQNGBVGX-CYBMUJFWSA-N -1 3 392.360 3.715 20 0 GHADHM Fc1ccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000822779246 599560176 /nfs/dbraw/zinc/56/01/76/599560176.db2.gz SCVBULXQNGBVGX-CYBMUJFWSA-N -1 3 392.360 3.715 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820563895 599563296 /nfs/dbraw/zinc/56/32/96/599563296.db2.gz WNKIBHFRJAFZBT-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820563895 599563298 /nfs/dbraw/zinc/56/32/98/599563298.db2.gz WNKIBHFRJAFZBT-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM Cc1nc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)sc1C ZINC000737483751 599565727 /nfs/dbraw/zinc/56/57/27/599565727.db2.gz YSHQVBSALXSFRG-UHFFFAOYSA-N -1 3 391.460 3.936 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736267954 599567109 /nfs/dbraw/zinc/56/71/09/599567109.db2.gz VFORQNSGLKWNGF-OAHLLOKOSA-N -1 3 376.464 3.873 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736211612 599567129 /nfs/dbraw/zinc/56/71/29/599567129.db2.gz QMLAGFLJWPJJSI-UHFFFAOYSA-N -1 3 376.464 3.873 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)CC1 ZINC000737833486 599579126 /nfs/dbraw/zinc/57/91/26/599579126.db2.gz UDLHLMAHLOVQMH-UHFFFAOYSA-N -1 3 383.496 3.599 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)CC1 ZINC000737833486 599579130 /nfs/dbraw/zinc/57/91/30/599579130.db2.gz UDLHLMAHLOVQMH-UHFFFAOYSA-N -1 3 383.496 3.599 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736055250 599607084 /nfs/dbraw/zinc/60/70/84/599607084.db2.gz DRNXIWZBMIAINI-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736055250 599607086 /nfs/dbraw/zinc/60/70/86/599607086.db2.gz DRNXIWZBMIAINI-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225509 599621205 /nfs/dbraw/zinc/62/12/05/599621205.db2.gz KBWUYVQXOVNFFE-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225509 599621206 /nfs/dbraw/zinc/62/12/06/599621206.db2.gz KBWUYVQXOVNFFE-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819882921 599621292 /nfs/dbraw/zinc/62/12/92/599621292.db2.gz COOBPFXLAJOIRQ-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819882921 599621293 /nfs/dbraw/zinc/62/12/93/599621293.db2.gz COOBPFXLAJOIRQ-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM Cc1sc(NC(=O)c2ccc(F)c(Br)c2)c(-c2nnn[n-]2)c1C ZINC000822564253 599629000 /nfs/dbraw/zinc/62/90/00/599629000.db2.gz XOQQKJCJSUJEQQ-UHFFFAOYSA-N -1 3 396.245 3.699 20 0 GHADHM Cc1sc(NC(=O)c2ccc(F)c(Br)c2)c(-c2nn[n-]n2)c1C ZINC000822564253 599629001 /nfs/dbraw/zinc/62/90/01/599629001.db2.gz XOQQKJCJSUJEQQ-UHFFFAOYSA-N -1 3 396.245 3.699 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820294513 599633267 /nfs/dbraw/zinc/63/32/67/599633267.db2.gz UFRZZEGSYPOUGY-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820294513 599633268 /nfs/dbraw/zinc/63/32/68/599633268.db2.gz UFRZZEGSYPOUGY-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2c(s1)CCC2 ZINC000823303923 599633508 /nfs/dbraw/zinc/63/35/08/599633508.db2.gz YTBCPAREQJYZRG-UHFFFAOYSA-N -1 3 379.367 3.688 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2c(s1)CCC2 ZINC000823303923 599633509 /nfs/dbraw/zinc/63/35/09/599633509.db2.gz YTBCPAREQJYZRG-UHFFFAOYSA-N -1 3 379.367 3.688 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1 ZINC000823303683 599633544 /nfs/dbraw/zinc/63/35/44/599633544.db2.gz QUYHWEVNAAIVHB-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1 ZINC000823303683 599633545 /nfs/dbraw/zinc/63/35/45/599633545.db2.gz QUYHWEVNAAIVHB-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM C[C@@H](C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819883963 599665496 /nfs/dbraw/zinc/66/54/96/599665496.db2.gz PHFVITWMBWJJLV-CYBMUJFWSA-N -1 3 386.839 3.636 20 0 GHADHM C[C@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819884562 599665629 /nfs/dbraw/zinc/66/56/29/599665629.db2.gz XEEAHPCQFSPIIA-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819884562 599665630 /nfs/dbraw/zinc/66/56/30/599665630.db2.gz XEEAHPCQFSPIIA-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233205 599669328 /nfs/dbraw/zinc/66/93/28/599669328.db2.gz KKRJVDDZIAYUCH-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233205 599669329 /nfs/dbraw/zinc/66/93/29/599669329.db2.gz KKRJVDDZIAYUCH-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)c2)cs1 ZINC000822419152 599671642 /nfs/dbraw/zinc/67/16/42/599671642.db2.gz MWCMWLTWIBESIL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)c2)cs1 ZINC000822419152 599671643 /nfs/dbraw/zinc/67/16/43/599671643.db2.gz MWCMWLTWIBESIL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690492 599671801 /nfs/dbraw/zinc/67/18/01/599671801.db2.gz MYXDXVAWTRHULF-MAUKXSAKSA-N -1 3 392.459 3.925 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690492 599671802 /nfs/dbraw/zinc/67/18/02/599671802.db2.gz MYXDXVAWTRHULF-MAUKXSAKSA-N -1 3 392.459 3.925 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820967896 599675695 /nfs/dbraw/zinc/67/56/95/599675695.db2.gz XYXDVTXYQXPBRS-BBRMVZONSA-N -1 3 396.520 3.925 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820967898 599675698 /nfs/dbraw/zinc/67/56/98/599675698.db2.gz XYXDVTXYQXPBRS-CZUORRHYSA-N -1 3 396.520 3.925 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820920275 599675939 /nfs/dbraw/zinc/67/59/39/599675939.db2.gz OQPQJKHKGAQUKI-LJQANCHMSA-N -1 3 392.507 3.765 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820920275 599675940 /nfs/dbraw/zinc/67/59/40/599675940.db2.gz OQPQJKHKGAQUKI-LJQANCHMSA-N -1 3 392.507 3.765 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339986 599682067 /nfs/dbraw/zinc/68/20/67/599682067.db2.gz IGAKLIKCXNLRKV-JKSUJKDBSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339986 599682068 /nfs/dbraw/zinc/68/20/68/599682068.db2.gz IGAKLIKCXNLRKV-JKSUJKDBSA-N -1 3 390.491 3.938 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CC(C)(C)CC ZINC000821390570 599689795 /nfs/dbraw/zinc/68/97/95/599689795.db2.gz YWLCAACZPJLHEV-UHFFFAOYSA-N -1 3 397.273 3.760 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CC(C)(C)CC ZINC000821390570 599689796 /nfs/dbraw/zinc/68/97/96/599689796.db2.gz YWLCAACZPJLHEV-UHFFFAOYSA-N -1 3 397.273 3.760 20 0 GHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737369351 599713406 /nfs/dbraw/zinc/71/34/06/599713406.db2.gz GLASMSYXLSUWGU-UHFFFAOYSA-N -1 3 392.406 3.650 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1F ZINC000740005687 599718569 /nfs/dbraw/zinc/71/85/69/599718569.db2.gz OTJDMGCGQCHPLB-SFHVURJKSA-N -1 3 386.427 3.874 20 0 GHADHM CC(C)Oc1cccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000820178737 607400526 /nfs/dbraw/zinc/40/05/26/607400526.db2.gz ZRHCCDSZXXQKKT-UHFFFAOYSA-N -1 3 395.463 3.622 20 0 GHADHM CC(C)Oc1cccc(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000820178737 607400527 /nfs/dbraw/zinc/40/05/27/607400527.db2.gz ZRHCCDSZXXQKKT-UHFFFAOYSA-N -1 3 395.463 3.622 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)c21 ZINC000822333083 607401429 /nfs/dbraw/zinc/40/14/29/607401429.db2.gz VVXZSBPDMXCQHY-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)c21 ZINC000822333083 607401430 /nfs/dbraw/zinc/40/14/30/607401430.db2.gz VVXZSBPDMXCQHY-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM CCc1cccc2c(CC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c[nH]c21 ZINC000825722672 607407458 /nfs/dbraw/zinc/40/74/58/607407458.db2.gz ISDDKCRJPKWQOS-UHFFFAOYSA-N -1 3 375.432 3.505 20 0 GHADHM CCc1cccc2c(CC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c[nH]c21 ZINC000825722672 607407460 /nfs/dbraw/zinc/40/74/60/607407460.db2.gz ISDDKCRJPKWQOS-UHFFFAOYSA-N -1 3 375.432 3.505 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1Cl ZINC000823942557 607415729 /nfs/dbraw/zinc/41/57/29/607415729.db2.gz GHQXVZRLUKXLLI-ACCUITESSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1Cl ZINC000823942557 607415730 /nfs/dbraw/zinc/41/57/30/607415730.db2.gz GHQXVZRLUKXLLI-ACCUITESSA-N -1 3 379.851 3.729 20 0 GHADHM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000736662915 600046775 /nfs/dbraw/zinc/04/67/75/600046775.db2.gz UTKKGBSMHJCAIW-ZHRRBRCNSA-N -1 3 388.467 3.529 20 0 GHADHM O=C([O-])c1ccc(CCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000739250985 600068865 /nfs/dbraw/zinc/06/88/65/600068865.db2.gz BWMLTSFOBHXEAX-OAQYLSRUSA-N -1 3 380.488 3.661 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826428336 607418666 /nfs/dbraw/zinc/41/86/66/607418666.db2.gz YTGDEUUGUNSNHW-SFTDATJTSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826428336 607418668 /nfs/dbraw/zinc/41/86/68/607418668.db2.gz YTGDEUUGUNSNHW-SFTDATJTSA-N -1 3 395.466 3.929 20 0 GHADHM CC(C)c1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347755 607425266 /nfs/dbraw/zinc/42/52/66/607425266.db2.gz MTRSBOGMNPYDHI-UHFFFAOYSA-N -1 3 375.476 3.728 20 0 GHADHM CC(C)c1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347755 607425268 /nfs/dbraw/zinc/42/52/68/607425268.db2.gz MTRSBOGMNPYDHI-UHFFFAOYSA-N -1 3 375.476 3.728 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826470453 607429324 /nfs/dbraw/zinc/42/93/24/607429324.db2.gz QLTCCHRRMBBBIW-MRXNPFEDSA-N -1 3 381.505 3.803 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826470453 607429325 /nfs/dbraw/zinc/42/93/25/607429325.db2.gz QLTCCHRRMBBBIW-MRXNPFEDSA-N -1 3 381.505 3.803 20 0 GHADHM CN(C(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820606 607434037 /nfs/dbraw/zinc/43/40/37/607434037.db2.gz MFAJOMHGZSYTBZ-UHFFFAOYSA-N -1 3 393.394 3.641 20 0 GHADHM CN(C(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820606 607434038 /nfs/dbraw/zinc/43/40/38/607434038.db2.gz MFAJOMHGZSYTBZ-UHFFFAOYSA-N -1 3 393.394 3.641 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738708239 600281327 /nfs/dbraw/zinc/28/13/27/600281327.db2.gz LHORRDRTGPDTAR-UHFFFAOYSA-N -1 3 389.883 3.942 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000736633026 600287945 /nfs/dbraw/zinc/28/79/45/600287945.db2.gz IXNINPIXJIOBTR-TWOQFEAHSA-N -1 3 380.488 3.592 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812869 607436951 /nfs/dbraw/zinc/43/69/51/607436951.db2.gz WMWMEUNXZDWLGX-KBPBESRZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812869 607436952 /nfs/dbraw/zinc/43/69/52/607436952.db2.gz WMWMEUNXZDWLGX-KBPBESRZSA-N -1 3 388.258 3.940 20 0 GHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426805583 600422011 /nfs/dbraw/zinc/42/20/11/600422011.db2.gz CTZDZVBFHFUUGI-KRWDZBQOSA-N -1 3 394.265 3.772 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1 ZINC000825132828 607447809 /nfs/dbraw/zinc/44/78/09/607447809.db2.gz DMMHOZLDTPNEAG-KRWDZBQOSA-N -1 3 396.882 3.960 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000825132828 607447810 /nfs/dbraw/zinc/44/78/10/607447810.db2.gz DMMHOZLDTPNEAG-KRWDZBQOSA-N -1 3 396.882 3.960 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC000826306423 607457499 /nfs/dbraw/zinc/45/74/99/607457499.db2.gz YNFTYTAEOGAXFT-IBGZPJMESA-N -1 3 388.475 3.615 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC000826306423 607457501 /nfs/dbraw/zinc/45/75/01/607457501.db2.gz YNFTYTAEOGAXFT-IBGZPJMESA-N -1 3 388.475 3.615 20 0 GHADHM FC(F)(F)Cn1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000822719117 607470320 /nfs/dbraw/zinc/47/03/20/607470320.db2.gz ZNLPLQSLIRFOIG-UHFFFAOYSA-N -1 3 399.380 3.905 20 0 GHADHM FC(F)(F)Cn1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000822719117 607470323 /nfs/dbraw/zinc/47/03/23/607470323.db2.gz ZNLPLQSLIRFOIG-UHFFFAOYSA-N -1 3 399.380 3.905 20 0 GHADHM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000833182036 600940877 /nfs/dbraw/zinc/94/08/77/600940877.db2.gz SBOXSENBUKDGRZ-QZTJIDSGSA-N -1 3 392.927 3.655 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828890839 601023267 /nfs/dbraw/zinc/02/32/67/601023267.db2.gz NONUMXXKSFNTNT-HXUWFJFHSA-N -1 3 383.492 3.654 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828277002 601052765 /nfs/dbraw/zinc/05/27/65/601052765.db2.gz HXGUUKPFDFKPAF-QGZVFWFLSA-N -1 3 396.491 3.583 20 0 GHADHM CCC[C@@](C)(NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)C(=O)[O-] ZINC000829202880 601151572 /nfs/dbraw/zinc/15/15/72/601151572.db2.gz SWJAEIYKLGCHLW-HXUWFJFHSA-N -1 3 389.521 3.674 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832000341 601203088 /nfs/dbraw/zinc/20/30/88/601203088.db2.gz NXMABKDGYXDRIU-YJYMSZOUSA-N -1 3 390.867 3.647 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(C(C)C)s1 ZINC000820086824 607498040 /nfs/dbraw/zinc/49/80/40/607498040.db2.gz GJLXEZDFWMWIKU-UHFFFAOYSA-N -1 3 384.509 3.745 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(C(C)C)s1 ZINC000820086824 607498042 /nfs/dbraw/zinc/49/80/42/607498042.db2.gz GJLXEZDFWMWIKU-UHFFFAOYSA-N -1 3 384.509 3.745 20 0 GHADHM COc1cc(NC2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc(OC)c1 ZINC000832026906 601598395 /nfs/dbraw/zinc/59/83/95/601598395.db2.gz RVWTZWBLAHKULQ-UHFFFAOYSA-N -1 3 388.439 3.618 20 0 GHADHM COc1ccc(NC(=O)[C@@H](NCC(C)(C)C(=O)[O-])c2ccccc2)cc1Cl ZINC000832393942 601646390 /nfs/dbraw/zinc/64/63/90/601646390.db2.gz LESQHZXXBCPCBJ-KRWDZBQOSA-N -1 3 390.867 3.729 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000826054493 601653305 /nfs/dbraw/zinc/65/33/05/601653305.db2.gz NLFBNFSOCKVRRS-SJKOYZFVSA-N -1 3 380.366 3.696 20 0 GHADHM CN(Cc1cc2ccccc2[nH]c1=O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830811160 601899564 /nfs/dbraw/zinc/89/95/64/601899564.db2.gz PNGHIBGURAUFSS-KRWDZBQOSA-N -1 3 376.334 3.615 20 0 GHADHM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000740729122 601925717 /nfs/dbraw/zinc/92/57/17/601925717.db2.gz LAQIRAAPHYXJLQ-RTWAWAEBSA-N -1 3 399.535 3.810 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2c(OC)ccc3ccccc32)C(=O)[O-])c1 ZINC000832057665 602166167 /nfs/dbraw/zinc/16/61/67/602166167.db2.gz QPMDSBUWBDWGON-OAQYLSRUSA-N -1 3 381.428 3.781 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])c1 ZINC000832056481 602176182 /nfs/dbraw/zinc/17/61/82/602176182.db2.gz DHZPOQFPVLIPIQ-NRFANRHFSA-N -1 3 378.428 3.681 20 0 GHADHM CN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830500883 602364424 /nfs/dbraw/zinc/36/44/24/602364424.db2.gz XGGMRBOVARPVGY-MRXNPFEDSA-N -1 3 386.427 3.654 20 0 GHADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824662580 607562606 /nfs/dbraw/zinc/56/26/06/607562606.db2.gz NMJOIBSUKWXBPG-VLIAUNLRSA-N -1 3 397.454 3.743 20 0 GHADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824662580 607562608 /nfs/dbraw/zinc/56/26/08/607562608.db2.gz NMJOIBSUKWXBPG-VLIAUNLRSA-N -1 3 397.454 3.743 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824651271 607562618 /nfs/dbraw/zinc/56/26/18/607562618.db2.gz YIVIPWVEROZTQK-YWZLYKJASA-N -1 3 379.464 3.604 20 0 GHADHM O=C([O-])N[C@@H](CCC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000740541470 602456420 /nfs/dbraw/zinc/45/64/20/602456420.db2.gz YRWMBNJILRYMBE-NRFANRHFSA-N -1 3 395.503 3.510 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)N2CCCC2)cc1 ZINC000740119540 602508372 /nfs/dbraw/zinc/50/83/72/602508372.db2.gz WOIRSYQRPRGZKS-LJQANCHMSA-N -1 3 385.439 3.791 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)cc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380069 607578488 /nfs/dbraw/zinc/57/84/88/607578488.db2.gz NPVAVXGHCKNIOJ-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)cc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380069 607578489 /nfs/dbraw/zinc/57/84/89/607578489.db2.gz NPVAVXGHCKNIOJ-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739060319 603228708 /nfs/dbraw/zinc/22/87/08/603228708.db2.gz RXFQUUNJTLATBY-CZUORRHYSA-N -1 3 387.867 3.995 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000825427780 603368036 /nfs/dbraw/zinc/36/80/36/603368036.db2.gz ZCFOSLSAYLIVRI-HNNXBMFYSA-N -1 3 376.501 3.601 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000825434104 603384589 /nfs/dbraw/zinc/38/45/89/603384589.db2.gz MFHCCMTXJBPIOI-JKSUJKDBSA-N -1 3 384.480 3.657 20 0 GHADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c2ccccc2)cc1 ZINC000826189234 607654234 /nfs/dbraw/zinc/65/42/34/607654234.db2.gz QNEJCVHXVOAUCC-OAQYLSRUSA-N -1 3 399.454 3.703 20 0 GHADHM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c2ccccc2)cc1 ZINC000826189234 607654236 /nfs/dbraw/zinc/65/42/36/607654236.db2.gz QNEJCVHXVOAUCC-OAQYLSRUSA-N -1 3 399.454 3.703 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000826246952 607650393 /nfs/dbraw/zinc/65/03/93/607650393.db2.gz PVGOMMZVWLWLBE-NSHDSACASA-N -1 3 375.354 3.685 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000826246952 607650395 /nfs/dbraw/zinc/65/03/95/607650395.db2.gz PVGOMMZVWLWLBE-NSHDSACASA-N -1 3 375.354 3.685 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826316724 607669461 /nfs/dbraw/zinc/66/94/61/607669461.db2.gz WVGDGLHZNDCCAD-KBPBESRZSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826316724 607669463 /nfs/dbraw/zinc/66/94/63/607669463.db2.gz WVGDGLHZNDCCAD-KBPBESRZSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826316670 607675979 /nfs/dbraw/zinc/67/59/79/607675979.db2.gz VCPXCHRPIBNCSB-IRXDYDNUSA-N -1 3 381.505 3.777 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826316670 607675981 /nfs/dbraw/zinc/67/59/81/607675981.db2.gz VCPXCHRPIBNCSB-IRXDYDNUSA-N -1 3 381.505 3.777 20 0 GHADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000832846189 604266988 /nfs/dbraw/zinc/26/69/88/604266988.db2.gz CPDWEVCHYQNZFB-OAHLLOKOSA-N -1 3 389.521 3.594 20 0 GHADHM c1cc2cccc(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)c2s1 ZINC000826512871 607688620 /nfs/dbraw/zinc/68/86/20/607688620.db2.gz RTLYUDCIPGGEPM-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1cc2cccc(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)c2s1 ZINC000826512871 607688622 /nfs/dbraw/zinc/68/86/22/607688622.db2.gz RTLYUDCIPGGEPM-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000825972233 607693904 /nfs/dbraw/zinc/69/39/04/607693904.db2.gz XHRFSOITMFKQCP-UHFFFAOYSA-N -1 3 397.891 3.936 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000825972233 607693905 /nfs/dbraw/zinc/69/39/05/607693905.db2.gz XHRFSOITMFKQCP-UHFFFAOYSA-N -1 3 397.891 3.936 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000578329368 604475618 /nfs/dbraw/zinc/47/56/18/604475618.db2.gz ADQLCLDHJYQHEI-FQEVSTJZSA-N -1 3 389.423 3.512 20 0 GHADHM C[C@H](Oc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1)C(=O)[O-] ZINC000833539563 604525828 /nfs/dbraw/zinc/52/58/28/604525828.db2.gz HLSDHTHLWPFNDU-HNNXBMFYSA-N -1 3 377.444 3.704 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833538531 604592299 /nfs/dbraw/zinc/59/22/99/604592299.db2.gz DKLWTTRJGRMHEJ-GOSISDBHSA-N -1 3 383.488 3.762 20 0 GHADHM CCSc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000825674910 607705045 /nfs/dbraw/zinc/70/50/45/607705045.db2.gz USTLXFVHPRVGIN-UHFFFAOYSA-N -1 3 397.504 3.947 20 0 GHADHM CCSc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000825674910 607705047 /nfs/dbraw/zinc/70/50/47/607705047.db2.gz USTLXFVHPRVGIN-UHFFFAOYSA-N -1 3 397.504 3.947 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000833679232 604647084 /nfs/dbraw/zinc/64/70/84/604647084.db2.gz WXGWWASYJHPBHH-HIFRSBDPSA-N -1 3 380.485 3.665 20 0 GHADHM Cc1c2c(nc(SCc3nc(C(F)(F)F)cs3)c1-c1nnn[n-]1)CCC2 ZINC000826243204 607710591 /nfs/dbraw/zinc/71/05/91/607710591.db2.gz YMTCOKZUOKKSAV-UHFFFAOYSA-N -1 3 398.439 3.826 20 0 GHADHM Cc1c2c(nc(SCc3nc(C(F)(F)F)cs3)c1-c1nn[n-]n1)CCC2 ZINC000826243204 607710593 /nfs/dbraw/zinc/71/05/93/607710593.db2.gz YMTCOKZUOKKSAV-UHFFFAOYSA-N -1 3 398.439 3.826 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1coc(-c2c(F)cccc2F)n1 ZINC000825610160 607710755 /nfs/dbraw/zinc/71/07/55/607710755.db2.gz YBMHGJAFYOVJDH-UHFFFAOYSA-N -1 3 399.357 3.778 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1coc(-c2c(F)cccc2F)n1 ZINC000825610160 607710757 /nfs/dbraw/zinc/71/07/57/607710757.db2.gz YBMHGJAFYOVJDH-UHFFFAOYSA-N -1 3 399.357 3.778 20 0 GHADHM C[C@]1(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833569212 604813700 /nfs/dbraw/zinc/81/37/00/604813700.db2.gz KKTFCBBJOYVZIK-DYVFJYSZSA-N -1 3 383.370 3.879 20 0 GHADHM O[C@H](c1ccccc1)C1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000826505085 607735472 /nfs/dbraw/zinc/73/54/72/607735472.db2.gz LZCMHEFOLFATKU-MRXNPFEDSA-N -1 3 389.381 3.811 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000833599966 605280856 /nfs/dbraw/zinc/28/08/56/605280856.db2.gz JBDISHXRNSYKOR-CZUORRHYSA-N -1 3 386.427 3.700 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000833599961 605280878 /nfs/dbraw/zinc/28/08/78/605280878.db2.gz JBDISHXRNSYKOR-BBRMVZONSA-N -1 3 386.427 3.700 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825044421 607762301 /nfs/dbraw/zinc/76/23/01/607762301.db2.gz QDMUJQGTMVHZQU-UHFFFAOYSA-N -1 3 392.507 3.896 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825044421 607762302 /nfs/dbraw/zinc/76/23/02/607762302.db2.gz QDMUJQGTMVHZQU-UHFFFAOYSA-N -1 3 392.507 3.896 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000824329082 607765307 /nfs/dbraw/zinc/76/53/07/607765307.db2.gz HVBROMMMNHGHST-KRWDZBQOSA-N -1 3 396.426 3.772 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000824329082 607765308 /nfs/dbraw/zinc/76/53/08/607765308.db2.gz HVBROMMMNHGHST-KRWDZBQOSA-N -1 3 396.426 3.772 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc2cccnc21 ZINC000826459609 607769849 /nfs/dbraw/zinc/76/98/49/607769849.db2.gz QOYOHABRRNWZEQ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc2cccnc21 ZINC000826459609 607769850 /nfs/dbraw/zinc/76/98/50/607769850.db2.gz QOYOHABRRNWZEQ-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM CCS[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(C)C ZINC000825669288 607771184 /nfs/dbraw/zinc/77/11/84/607771184.db2.gz UMZHAVPBPUZZMQ-AWEZNQCLSA-N -1 3 388.522 3.706 20 0 GHADHM CCS[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(C)C ZINC000825669288 607771185 /nfs/dbraw/zinc/77/11/85/607771185.db2.gz UMZHAVPBPUZZMQ-AWEZNQCLSA-N -1 3 388.522 3.706 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826475860 607771567 /nfs/dbraw/zinc/77/15/67/607771567.db2.gz TWKUCESBBJRHLA-MRXNPFEDSA-N -1 3 381.505 3.946 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826475860 607771568 /nfs/dbraw/zinc/77/15/68/607771568.db2.gz TWKUCESBBJRHLA-MRXNPFEDSA-N -1 3 381.505 3.946 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826470259 607771570 /nfs/dbraw/zinc/77/15/70/607771570.db2.gz KBJADUQXBNXNDN-KRWDZBQOSA-N -1 3 381.505 3.946 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826470259 607771571 /nfs/dbraw/zinc/77/15/71/607771571.db2.gz KBJADUQXBNXNDN-KRWDZBQOSA-N -1 3 381.505 3.946 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1(c2ccccc2)CC1 ZINC000826459272 607771639 /nfs/dbraw/zinc/77/16/39/607771639.db2.gz CHPZCCLNMSNNSW-UHFFFAOYSA-N -1 3 388.456 3.661 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1(c2ccccc2)CC1 ZINC000826459272 607771640 /nfs/dbraw/zinc/77/16/40/607771640.db2.gz CHPZCCLNMSNNSW-UHFFFAOYSA-N -1 3 388.456 3.661 20 0 GHADHM C[C@H](Oc1ccc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1)C(=O)[O-] ZINC000833539958 605728290 /nfs/dbraw/zinc/72/82/90/605728290.db2.gz ICRQPURPUOHJOY-INIZCTEOSA-N -1 3 395.455 3.599 20 0 GHADHM O=C([O-])N1CCC([C@@H](NCc2ccc(CO)c(F)c2)c2ccc(F)cc2)CC1 ZINC000834072168 605982227 /nfs/dbraw/zinc/98/22/27/605982227.db2.gz BARVNNVRNHDSPW-FQEVSTJZSA-N -1 3 390.430 3.678 20 0 GHADHM c1c(CNc2ccc(-c3nnn[n-]3)nc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000823766409 606028210 /nfs/dbraw/zinc/02/82/10/606028210.db2.gz CXGOMXMRNCJMBQ-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM c1c(CNc2ccc(-c3nn[n-]n3)nc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000823766409 606028213 /nfs/dbraw/zinc/02/82/13/606028213.db2.gz CXGOMXMRNCJMBQ-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340705 606116716 /nfs/dbraw/zinc/11/67/16/606116716.db2.gz MYJQBRNYAGOLPS-BXWFABGCSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340705 606116717 /nfs/dbraw/zinc/11/67/17/606116717.db2.gz MYJQBRNYAGOLPS-BXWFABGCSA-N -1 3 390.491 3.590 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820938623 606126001 /nfs/dbraw/zinc/12/60/01/606126001.db2.gz KUUDKIBTFZVVEU-IBGZPJMESA-N -1 3 391.475 3.524 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820938623 606126002 /nfs/dbraw/zinc/12/60/02/606126002.db2.gz KUUDKIBTFZVVEU-IBGZPJMESA-N -1 3 391.475 3.524 20 0 GHADHM C[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820225414 606134133 /nfs/dbraw/zinc/13/41/33/606134133.db2.gz IHWNROLBTPRCNK-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820225414 606134134 /nfs/dbraw/zinc/13/41/34/606134134.db2.gz IHWNROLBTPRCNK-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000820508877 606135496 /nfs/dbraw/zinc/13/54/96/606135496.db2.gz ZNMPLCQHCSRATB-VIFPVBQESA-N -1 3 378.310 3.525 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000820508877 606135497 /nfs/dbraw/zinc/13/54/97/606135497.db2.gz ZNMPLCQHCSRATB-VIFPVBQESA-N -1 3 378.310 3.525 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)[C@@H](C)c1ccccc1 ZINC000820340953 606162533 /nfs/dbraw/zinc/16/25/33/606162533.db2.gz OAGCTKCWWUCJDY-CVEARBPZSA-N -1 3 390.491 3.733 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)[C@@H](C)c1ccccc1 ZINC000820340953 606162534 /nfs/dbraw/zinc/16/25/34/606162534.db2.gz OAGCTKCWWUCJDY-CVEARBPZSA-N -1 3 390.491 3.733 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2cccc(F)c2)o1 ZINC000821394490 606170395 /nfs/dbraw/zinc/17/03/95/606170395.db2.gz KJACQINVAOOYLQ-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2cccc(F)c2)o1 ZINC000821394490 606170397 /nfs/dbraw/zinc/17/03/97/606170397.db2.gz KJACQINVAOOYLQ-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM Cc1ncoc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822482513 606175726 /nfs/dbraw/zinc/17/57/26/606175726.db2.gz TYNMOTOXUBQSNK-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1ncoc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822482513 606175728 /nfs/dbraw/zinc/17/57/28/606175728.db2.gz TYNMOTOXUBQSNK-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(-c2cscn2)cc1 ZINC000822935755 606182206 /nfs/dbraw/zinc/18/22/06/606182206.db2.gz MZMYAKPDQFJSKJ-JXMROGBWSA-N -1 3 375.413 3.609 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(-c2cscn2)cc1 ZINC000822935755 606182207 /nfs/dbraw/zinc/18/22/07/606182207.db2.gz MZMYAKPDQFJSKJ-JXMROGBWSA-N -1 3 375.413 3.609 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820727859 606188114 /nfs/dbraw/zinc/18/81/14/606188114.db2.gz PSMWJTVFBKHGFJ-CWTRNNRKSA-N -1 3 397.479 3.538 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820727859 606188116 /nfs/dbraw/zinc/18/81/16/606188116.db2.gz PSMWJTVFBKHGFJ-CWTRNNRKSA-N -1 3 397.479 3.538 20 0 GHADHM O[C@H](C[C@@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823672830 606241678 /nfs/dbraw/zinc/24/16/78/606241678.db2.gz HEJHGSZICKNXDY-FUHWJXTLSA-N -1 3 398.898 3.788 20 0 GHADHM O[C@H](C[C@@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823672830 606241679 /nfs/dbraw/zinc/24/16/79/606241679.db2.gz HEJHGSZICKNXDY-FUHWJXTLSA-N -1 3 398.898 3.788 20 0 GHADHM CCC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000820944281 606244969 /nfs/dbraw/zinc/24/49/69/606244969.db2.gz JEXUIRMQPNBXDU-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CCC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000820944281 606244970 /nfs/dbraw/zinc/24/49/70/606244970.db2.gz JEXUIRMQPNBXDU-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(Nc1nccs1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823382921 606245773 /nfs/dbraw/zinc/24/57/73/606245773.db2.gz GTTIXFZTFHGMMA-UHFFFAOYSA-N -1 3 380.458 3.727 20 0 GHADHM O=C(Nc1nccs1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823382921 606245774 /nfs/dbraw/zinc/24/57/74/606245774.db2.gz GTTIXFZTFHGMMA-UHFFFAOYSA-N -1 3 380.458 3.727 20 0 GHADHM O=C(NCc1ccco1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823261096 606246173 /nfs/dbraw/zinc/24/61/73/606246173.db2.gz ABNKAUJZRWCSJM-UHFFFAOYSA-N -1 3 377.429 3.541 20 0 GHADHM O=C(NCc1ccco1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823261096 606246176 /nfs/dbraw/zinc/24/61/76/606246176.db2.gz ABNKAUJZRWCSJM-UHFFFAOYSA-N -1 3 377.429 3.541 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1OC1CCCC1 ZINC000821702942 606264766 /nfs/dbraw/zinc/26/47/66/606264766.db2.gz IIRGSUWACMSCJF-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1OC1CCCC1 ZINC000821702942 606264767 /nfs/dbraw/zinc/26/47/67/606264767.db2.gz IIRGSUWACMSCJF-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640326 606298250 /nfs/dbraw/zinc/29/82/50/606298250.db2.gz GGVLWZTVFLQSPQ-JLTOFOAXSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640326 606298252 /nfs/dbraw/zinc/29/82/52/606298252.db2.gz GGVLWZTVFLQSPQ-JLTOFOAXSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OC2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644659 606300315 /nfs/dbraw/zinc/30/03/15/606300315.db2.gz FWZWFBCWYNOWFD-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(OC2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644659 606300316 /nfs/dbraw/zinc/30/03/16/606300316.db2.gz FWZWFBCWYNOWFD-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1csc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641121 606304605 /nfs/dbraw/zinc/30/46/05/606304605.db2.gz WMLWCFUGHVKENR-XIKOKIGWSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1csc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641121 606304607 /nfs/dbraw/zinc/30/46/07/606304607.db2.gz WMLWCFUGHVKENR-XIKOKIGWSA-N -1 3 393.472 3.646 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1c(Cl)cccc1Cl ZINC000823070972 606329552 /nfs/dbraw/zinc/32/95/52/606329552.db2.gz VPLMTHPNGYLRCQ-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1c(Cl)cccc1Cl ZINC000823070972 606329555 /nfs/dbraw/zinc/32/95/55/606329555.db2.gz VPLMTHPNGYLRCQ-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339304 606342436 /nfs/dbraw/zinc/34/24/36/606342436.db2.gz BMXJUNFGPQKLKQ-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339304 606342438 /nfs/dbraw/zinc/34/24/38/606342438.db2.gz BMXJUNFGPQKLKQ-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233473 606343465 /nfs/dbraw/zinc/34/34/65/606343465.db2.gz PSTQINFAEDLIEW-YSGRDPCXSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233473 606343467 /nfs/dbraw/zinc/34/34/67/606343467.db2.gz PSTQINFAEDLIEW-YSGRDPCXSA-N -1 3 392.459 3.947 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496020 606350638 /nfs/dbraw/zinc/35/06/38/606350638.db2.gz LANAPNYLJPODRB-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496020 606350640 /nfs/dbraw/zinc/35/06/40/606350640.db2.gz LANAPNYLJPODRB-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000820206403 606350747 /nfs/dbraw/zinc/35/07/47/606350747.db2.gz JJNGCBGFXPUCRN-NSHDSACASA-N -1 3 396.476 3.856 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000820206403 606350749 /nfs/dbraw/zinc/35/07/49/606350749.db2.gz JJNGCBGFXPUCRN-NSHDSACASA-N -1 3 396.476 3.856 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351931 606352570 /nfs/dbraw/zinc/35/25/70/606352570.db2.gz RPOZPXSQVROZEJ-UONOGXRCSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351931 606352572 /nfs/dbraw/zinc/35/25/72/606352572.db2.gz RPOZPXSQVROZEJ-UONOGXRCSA-N -1 3 380.427 3.724 20 0 GHADHM C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494600 606357569 /nfs/dbraw/zinc/35/75/69/606357569.db2.gz BLDFCNRDFJEYNK-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494600 606357571 /nfs/dbraw/zinc/35/75/71/606357571.db2.gz BLDFCNRDFJEYNK-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820667717 606358847 /nfs/dbraw/zinc/35/88/47/606358847.db2.gz NPFKGYUYBYTCMJ-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820667717 606358849 /nfs/dbraw/zinc/35/88/49/606358849.db2.gz NPFKGYUYBYTCMJ-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339462 606362153 /nfs/dbraw/zinc/36/21/53/606362153.db2.gz CQOKVALKMJGNSF-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339462 606362154 /nfs/dbraw/zinc/36/21/54/606362154.db2.gz CQOKVALKMJGNSF-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454882 606380224 /nfs/dbraw/zinc/38/02/24/606380224.db2.gz HLTLRSWMXQMDHY-JQWIXIFHSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454882 606380226 /nfs/dbraw/zinc/38/02/26/606380226.db2.gz HLTLRSWMXQMDHY-JQWIXIFHSA-N -1 3 380.905 3.706 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@@H]1CCCSC1 ZINC000823356893 606383525 /nfs/dbraw/zinc/38/35/25/606383525.db2.gz QSUADPYFXFEVJB-CQSZACIVSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@@H]1CCCSC1 ZINC000823356893 606383526 /nfs/dbraw/zinc/38/35/26/606383526.db2.gz QSUADPYFXFEVJB-CQSZACIVSA-N -1 3 396.476 3.676 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822427854 606413247 /nfs/dbraw/zinc/41/32/47/606413247.db2.gz XOXMMNYJELWYRL-UHFFFAOYSA-N -1 3 396.760 3.519 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822427854 606413249 /nfs/dbraw/zinc/41/32/49/606413249.db2.gz XOXMMNYJELWYRL-UHFFFAOYSA-N -1 3 396.760 3.519 20 0 GHADHM CN(C(=O)Cc1cccc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572303 606414856 /nfs/dbraw/zinc/41/48/56/606414856.db2.gz ZDHCRUDKVQSBAA-UHFFFAOYSA-N -1 3 377.835 3.879 20 0 GHADHM CN(C(=O)Cc1cccc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572303 606414858 /nfs/dbraw/zinc/41/48/58/606414858.db2.gz ZDHCRUDKVQSBAA-UHFFFAOYSA-N -1 3 377.835 3.879 20 0 GHADHM Cc1nc2ccccc2nc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000822462675 606450621 /nfs/dbraw/zinc/45/06/21/606450621.db2.gz LNCDTXFUCHOASA-UHFFFAOYSA-N -1 3 375.436 3.518 20 0 GHADHM Cc1nc2ccccc2nc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000822462675 606450623 /nfs/dbraw/zinc/45/06/23/606450623.db2.gz LNCDTXFUCHOASA-UHFFFAOYSA-N -1 3 375.436 3.518 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c(F)c1 ZINC000822227750 606489209 /nfs/dbraw/zinc/48/92/09/606489209.db2.gz UPRATWKVTFURGH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c(F)c1 ZINC000822227750 606489210 /nfs/dbraw/zinc/48/92/10/606489210.db2.gz UPRATWKVTFURGH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccco1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822205716 606492377 /nfs/dbraw/zinc/49/23/77/606492377.db2.gz GBHDYYFCDNJPPW-UHFFFAOYSA-N -1 3 383.408 3.816 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccco1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822205716 606492379 /nfs/dbraw/zinc/49/23/79/606492379.db2.gz GBHDYYFCDNJPPW-UHFFFAOYSA-N -1 3 383.408 3.816 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821790994 606512501 /nfs/dbraw/zinc/51/25/01/606512501.db2.gz YGSPJJDFQYKULY-UHFFFAOYSA-N -1 3 399.520 3.668 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821790994 606512503 /nfs/dbraw/zinc/51/25/03/606512503.db2.gz YGSPJJDFQYKULY-UHFFFAOYSA-N -1 3 399.520 3.668 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380103 606514975 /nfs/dbraw/zinc/51/49/75/606514975.db2.gz QOQDWESUGQTZJV-SREVYHEPSA-N -1 3 380.458 3.807 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380103 606514977 /nfs/dbraw/zinc/51/49/77/606514977.db2.gz QOQDWESUGQTZJV-SREVYHEPSA-N -1 3 380.458 3.807 20 0 GHADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821155481 606520218 /nfs/dbraw/zinc/52/02/18/606520218.db2.gz ZSHHNRWKWHBBJT-MRXNPFEDSA-N -1 3 387.484 3.797 20 0 GHADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821155481 606520220 /nfs/dbraw/zinc/52/02/20/606520220.db2.gz ZSHHNRWKWHBBJT-MRXNPFEDSA-N -1 3 387.484 3.797 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819764179 606522675 /nfs/dbraw/zinc/52/26/75/606522675.db2.gz GPMALAUDLMXKAP-WYMLVPIESA-N -1 3 377.423 3.600 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819764179 606522676 /nfs/dbraw/zinc/52/26/76/606522676.db2.gz GPMALAUDLMXKAP-WYMLVPIESA-N -1 3 377.423 3.600 20 0 GHADHM C[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000820711380 606575692 /nfs/dbraw/zinc/57/56/92/606575692.db2.gz XRIHKAHYKNIIIJ-CYBMUJFWSA-N -1 3 396.426 3.601 20 0 GHADHM C[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000820711380 606575694 /nfs/dbraw/zinc/57/56/94/606575694.db2.gz XRIHKAHYKNIIIJ-CYBMUJFWSA-N -1 3 396.426 3.601 20 0 GHADHM C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820710606 606577735 /nfs/dbraw/zinc/57/77/35/606577735.db2.gz QTAIEMGTLDJKAC-LBPRGKRZSA-N -1 3 382.399 3.814 20 0 GHADHM C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820710606 606577736 /nfs/dbraw/zinc/57/77/36/606577736.db2.gz QTAIEMGTLDJKAC-LBPRGKRZSA-N -1 3 382.399 3.814 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563500 606581868 /nfs/dbraw/zinc/58/18/68/606581868.db2.gz RJBSLEMFISFGJV-UONOGXRCSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563500 606581869 /nfs/dbraw/zinc/58/18/69/606581869.db2.gz RJBSLEMFISFGJV-UONOGXRCSA-N -1 3 383.883 3.713 20 0 GHADHM Cc1noc(C2CCC(Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CC2)n1 ZINC000822527864 606610262 /nfs/dbraw/zinc/61/02/62/606610262.db2.gz HLOJFZKBRONLHB-UHFFFAOYSA-N -1 3 393.373 3.715 20 0 GHADHM Cc1noc(C2CCC(Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CC2)n1 ZINC000822527864 606610263 /nfs/dbraw/zinc/61/02/63/606610263.db2.gz HLOJFZKBRONLHB-UHFFFAOYSA-N -1 3 393.373 3.715 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC000821413309 606628015 /nfs/dbraw/zinc/62/80/15/606628015.db2.gz ZXZUZRMCQQTZCJ-CYBMUJFWSA-N -1 3 381.436 3.695 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC000821413309 606628016 /nfs/dbraw/zinc/62/80/16/606628016.db2.gz ZXZUZRMCQQTZCJ-CYBMUJFWSA-N -1 3 381.436 3.695 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820549507 606628195 /nfs/dbraw/zinc/62/81/95/606628195.db2.gz OBYDITKALJSOMS-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820549507 606628197 /nfs/dbraw/zinc/62/81/97/606628197.db2.gz OBYDITKALJSOMS-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000822449610 606645833 /nfs/dbraw/zinc/64/58/33/606645833.db2.gz GSRUXIVBSDUMHT-ZCFIWIBFSA-N -1 3 394.913 3.724 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000822449610 606645834 /nfs/dbraw/zinc/64/58/34/606645834.db2.gz GSRUXIVBSDUMHT-ZCFIWIBFSA-N -1 3 394.913 3.724 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCCC2 ZINC000820384363 606662825 /nfs/dbraw/zinc/66/28/25/606662825.db2.gz CJDKJLQFRHPUKY-NSHDSACASA-N -1 3 383.402 3.515 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCCC2 ZINC000820384363 606662826 /nfs/dbraw/zinc/66/28/26/606662826.db2.gz CJDKJLQFRHPUKY-NSHDSACASA-N -1 3 383.402 3.515 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820292334 606667846 /nfs/dbraw/zinc/66/78/46/606667846.db2.gz CWKYPOBICOQXJG-CHWSQXEVSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820292334 606667847 /nfs/dbraw/zinc/66/78/47/606667847.db2.gz CWKYPOBICOQXJG-CHWSQXEVSA-N -1 3 385.468 3.611 20 0 GHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821607675 606668117 /nfs/dbraw/zinc/66/81/17/606668117.db2.gz ZLQOKUGJAHTWEP-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821607675 606668118 /nfs/dbraw/zinc/66/81/18/606668118.db2.gz ZLQOKUGJAHTWEP-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CCC1CCC(N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)CC1 ZINC000820971831 606669655 /nfs/dbraw/zinc/66/96/55/606669655.db2.gz GPAJBUGINADCGG-UHFFFAOYSA-N -1 3 375.423 3.718 20 0 GHADHM CCC1CCC(N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)CC1 ZINC000820971831 606669656 /nfs/dbraw/zinc/66/96/56/606669656.db2.gz GPAJBUGINADCGG-UHFFFAOYSA-N -1 3 375.423 3.718 20 0 GHADHM Cc1nc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)sc1-c1ccccc1 ZINC000822449597 606671367 /nfs/dbraw/zinc/67/13/67/606671367.db2.gz GEGLXEOTUSNPST-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)sc1-c1ccccc1 ZINC000822449597 606671368 /nfs/dbraw/zinc/67/13/68/606671368.db2.gz GEGLXEOTUSNPST-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C=C2CCC2)cc1 ZINC000821702555 606676158 /nfs/dbraw/zinc/67/61/58/606676158.db2.gz XJIOUZWWHVWPPW-UHFFFAOYSA-N -1 3 377.404 3.716 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C=C2CCC2)cc1 ZINC000821702555 606676159 /nfs/dbraw/zinc/67/61/59/606676159.db2.gz XJIOUZWWHVWPPW-UHFFFAOYSA-N -1 3 377.404 3.716 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821681533 606677543 /nfs/dbraw/zinc/67/75/43/606677543.db2.gz NCMOBUVJLURRFU-CQSZACIVSA-N -1 3 399.882 3.726 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821681533 606677544 /nfs/dbraw/zinc/67/75/44/606677544.db2.gz NCMOBUVJLURRFU-CQSZACIVSA-N -1 3 399.882 3.726 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc2ccccc2s1 ZINC000820384333 606678024 /nfs/dbraw/zinc/67/80/24/606678024.db2.gz BPNJFMAIGRFVCK-VIFPVBQESA-N -1 3 385.399 3.851 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000820384333 606678025 /nfs/dbraw/zinc/67/80/25/606678025.db2.gz BPNJFMAIGRFVCK-VIFPVBQESA-N -1 3 385.399 3.851 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822941375 606683537 /nfs/dbraw/zinc/68/35/37/606683537.db2.gz WRGDMYPUBKUAIZ-AWEZNQCLSA-N -1 3 397.410 3.696 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822941375 606683538 /nfs/dbraw/zinc/68/35/38/606683538.db2.gz WRGDMYPUBKUAIZ-AWEZNQCLSA-N -1 3 397.410 3.696 20 0 GHADHM CC1(C)CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820601658 606693199 /nfs/dbraw/zinc/69/31/99/606693199.db2.gz QXUBFFVKPQNYDZ-UHFFFAOYSA-N -1 3 379.489 3.717 20 0 GHADHM CC1(C)CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820601658 606693200 /nfs/dbraw/zinc/69/32/00/606693200.db2.gz QXUBFFVKPQNYDZ-UHFFFAOYSA-N -1 3 379.489 3.717 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820038403 606696287 /nfs/dbraw/zinc/69/62/87/606696287.db2.gz NFMDAWWGCBTKLJ-OAHLLOKOSA-N -1 3 393.451 3.564 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822210410 606702562 /nfs/dbraw/zinc/70/25/62/606702562.db2.gz ALBRUNPYNRKENH-UHFFFAOYSA-N -1 3 397.504 3.876 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822210410 606702563 /nfs/dbraw/zinc/70/25/63/606702563.db2.gz ALBRUNPYNRKENH-UHFFFAOYSA-N -1 3 397.504 3.876 20 0 GHADHM CC(C)(C)c1csc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000819965612 606705079 /nfs/dbraw/zinc/70/50/79/606705079.db2.gz JUDLEIMVNJXFJV-UHFFFAOYSA-N -1 3 398.536 3.664 20 0 GHADHM CC(C)(C)c1csc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000819965612 606705080 /nfs/dbraw/zinc/70/50/80/606705080.db2.gz JUDLEIMVNJXFJV-UHFFFAOYSA-N -1 3 398.536 3.664 20 0 GHADHM FC(F)(F)c1cc(NCc2nccn2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822723274 606708499 /nfs/dbraw/zinc/70/84/99/606708499.db2.gz CFAYBOFPKSNGNH-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1cc(NCc2nccn2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822723274 606708501 /nfs/dbraw/zinc/70/85/01/606708501.db2.gz CFAYBOFPKSNGNH-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C3CCC2CC3)cc1 ZINC000822136958 606776152 /nfs/dbraw/zinc/77/61/52/606776152.db2.gz RAQXYUDGYQREEB-UHFFFAOYSA-N -1 3 375.432 3.734 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C3CCC2CC3)cc1 ZINC000822136958 606776153 /nfs/dbraw/zinc/77/61/53/606776153.db2.gz RAQXYUDGYQREEB-UHFFFAOYSA-N -1 3 375.432 3.734 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000820063493 606810457 /nfs/dbraw/zinc/81/04/57/606810457.db2.gz UYPNNSRVSPLXEF-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM O=C([C@@H]1CCSC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822917773 606811220 /nfs/dbraw/zinc/81/12/20/606811220.db2.gz WRRKFCMNEHJTEU-CQSZACIVSA-N -1 3 399.907 3.806 20 0 GHADHM O=C([C@@H]1CCSC1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822917773 606811222 /nfs/dbraw/zinc/81/12/22/606811222.db2.gz WRRKFCMNEHJTEU-CQSZACIVSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(Nc1ccc(O)cc1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823350228 606831923 /nfs/dbraw/zinc/83/19/23/606831923.db2.gz FIEZZKAOPYFZFA-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Nc1ccc(O)cc1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823350228 606831925 /nfs/dbraw/zinc/83/19/25/606831925.db2.gz FIEZZKAOPYFZFA-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823175132 606833884 /nfs/dbraw/zinc/83/38/84/606833884.db2.gz ATPWEGMVECQVIZ-KRWDZBQOSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@@H]1CCCS1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823175132 606833887 /nfs/dbraw/zinc/83/38/87/606833887.db2.gz ATPWEGMVECQVIZ-KRWDZBQOSA-N -1 3 396.476 3.676 20 0 GHADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCCC1 ZINC000820945805 606846470 /nfs/dbraw/zinc/84/64/70/606846470.db2.gz WJMAVAKUGBTZIX-UHFFFAOYSA-N -1 3 382.493 3.823 20 0 GHADHM CCC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCCC1 ZINC000820945805 606846472 /nfs/dbraw/zinc/84/64/72/606846472.db2.gz WJMAVAKUGBTZIX-UHFFFAOYSA-N -1 3 382.493 3.823 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000820549475 606853078 /nfs/dbraw/zinc/85/30/78/606853078.db2.gz NEBNUBSKKRFBSX-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000820549475 606853079 /nfs/dbraw/zinc/85/30/79/606853079.db2.gz NEBNUBSKKRFBSX-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM O=C(Nc1ccccc1CCC(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372613 606856254 /nfs/dbraw/zinc/85/62/54/606856254.db2.gz HPLSMRHYARFKGM-UHFFFAOYSA-N -1 3 397.307 3.892 20 0 GHADHM O=C(Nc1ccccc1CCC(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372613 606856256 /nfs/dbraw/zinc/85/62/56/606856256.db2.gz HPLSMRHYARFKGM-UHFFFAOYSA-N -1 3 397.307 3.892 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000822137873 606880003 /nfs/dbraw/zinc/88/00/03/606880003.db2.gz XMKWUFNXGSAUNA-GJZGRUSLSA-N -1 3 377.448 3.980 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000822137873 606880004 /nfs/dbraw/zinc/88/00/04/606880004.db2.gz XMKWUFNXGSAUNA-GJZGRUSLSA-N -1 3 377.448 3.980 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3cccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000822729175 606911902 /nfs/dbraw/zinc/91/19/02/606911902.db2.gz VFYRWOJJCUXQRV-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000822729175 606911904 /nfs/dbraw/zinc/91/19/04/606911904.db2.gz VFYRWOJJCUXQRV-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Fc1cc(Cn2nccc2NCc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822747960 606918075 /nfs/dbraw/zinc/91/80/75/606918075.db2.gz ABOHHSRLPORUOH-UHFFFAOYSA-N -1 3 383.818 3.516 20 0 GHADHM Fc1cc(Cn2nccc2NCc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822747960 606918076 /nfs/dbraw/zinc/91/80/76/606918076.db2.gz ABOHHSRLPORUOH-UHFFFAOYSA-N -1 3 383.818 3.516 20 0 GHADHM CCc1nnc(N[C@H](C)c2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c1CC ZINC000821529267 606920882 /nfs/dbraw/zinc/92/08/82/606920882.db2.gz VYYWRPATHGSHEP-SNVBAGLBSA-N -1 3 389.410 3.556 20 0 GHADHM CCc1nnc(N[C@H](C)c2cccc(OC(F)F)c2)c(-c2nn[n-]n2)c1CC ZINC000821529267 606920883 /nfs/dbraw/zinc/92/08/83/606920883.db2.gz VYYWRPATHGSHEP-SNVBAGLBSA-N -1 3 389.410 3.556 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821383319 606928926 /nfs/dbraw/zinc/92/89/26/606928926.db2.gz CNHKZXMQKSAWFM-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821383319 606928928 /nfs/dbraw/zinc/92/89/28/606928928.db2.gz CNHKZXMQKSAWFM-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CCC2 ZINC000821509331 606952902 /nfs/dbraw/zinc/95/29/02/606952902.db2.gz GCBFKYFDHIKDBB-HNNXBMFYSA-N -1 3 397.508 3.735 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CCC2 ZINC000821509331 606952903 /nfs/dbraw/zinc/95/29/03/606952903.db2.gz GCBFKYFDHIKDBB-HNNXBMFYSA-N -1 3 397.508 3.735 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569182 606960094 /nfs/dbraw/zinc/96/00/94/606960094.db2.gz BDDVDVVAQNCBGR-RYUDHWBXSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569182 606960096 /nfs/dbraw/zinc/96/00/96/606960096.db2.gz BDDVDVVAQNCBGR-RYUDHWBXSA-N -1 3 389.793 3.565 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403148 606989065 /nfs/dbraw/zinc/98/90/65/606989065.db2.gz LKJWJRBLMZZZEZ-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403148 606989066 /nfs/dbraw/zinc/98/90/66/606989066.db2.gz LKJWJRBLMZZZEZ-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1C ZINC000822215140 607005463 /nfs/dbraw/zinc/00/54/63/607005463.db2.gz NFEKPLKOTUMUMS-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1C ZINC000822215140 607005465 /nfs/dbraw/zinc/00/54/65/607005465.db2.gz NFEKPLKOTUMUMS-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820011022 607009741 /nfs/dbraw/zinc/00/97/41/607009741.db2.gz GKDWEGOWZAZNAX-CYBMUJFWSA-N -1 3 395.488 3.825 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820011022 607009742 /nfs/dbraw/zinc/00/97/42/607009742.db2.gz GKDWEGOWZAZNAX-CYBMUJFWSA-N -1 3 395.488 3.825 20 0 GHADHM CCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821154978 607013197 /nfs/dbraw/zinc/01/31/97/607013197.db2.gz UHEXGHQGZNWNRV-CYBMUJFWSA-N -1 3 385.468 3.708 20 0 GHADHM CCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821154978 607013199 /nfs/dbraw/zinc/01/31/99/607013199.db2.gz UHEXGHQGZNWNRV-CYBMUJFWSA-N -1 3 385.468 3.708 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820215477 607023462 /nfs/dbraw/zinc/02/34/62/607023462.db2.gz VXWAIJWLKAJZJN-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820215477 607023463 /nfs/dbraw/zinc/02/34/63/607023463.db2.gz VXWAIJWLKAJZJN-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(Nc3ccccc3)s2)c1 ZINC000822758801 607038898 /nfs/dbraw/zinc/03/88/98/607038898.db2.gz YUDNGJYSGVYECV-UHFFFAOYSA-N -1 3 385.453 3.893 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(Nc3ccccc3)s2)c1 ZINC000822758801 607038899 /nfs/dbraw/zinc/03/88/99/607038899.db2.gz YUDNGJYSGVYECV-UHFFFAOYSA-N -1 3 385.453 3.893 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000821122884 607043250 /nfs/dbraw/zinc/04/32/50/607043250.db2.gz AOUFLJMXEZQCQJ-UHFFFAOYSA-N -1 3 392.797 3.873 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1sccc1Br ZINC000820433505 607057101 /nfs/dbraw/zinc/05/71/01/607057101.db2.gz YHXQLIQTJDSQAB-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1sccc1Br ZINC000820433505 607057103 /nfs/dbraw/zinc/05/71/03/607057103.db2.gz YHXQLIQTJDSQAB-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000820548492 607093165 /nfs/dbraw/zinc/09/31/65/607093165.db2.gz ATGMEKOANDNKDI-RNCFNFMXSA-N -1 3 390.852 3.580 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000820548492 607093166 /nfs/dbraw/zinc/09/31/66/607093166.db2.gz ATGMEKOANDNKDI-RNCFNFMXSA-N -1 3 390.852 3.580 20 0 GHADHM C[C@]1(c2ccccc2)CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000820636272 607115730 /nfs/dbraw/zinc/11/57/30/607115730.db2.gz RANSXNPBCJIKPC-GOSISDBHSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@]1(c2ccccc2)CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000820636272 607115731 /nfs/dbraw/zinc/11/57/31/607115731.db2.gz RANSXNPBCJIKPC-GOSISDBHSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H](c2ccsc2)O1 ZINC000820769139 607116079 /nfs/dbraw/zinc/11/60/79/607116079.db2.gz ROJKYFLAJNJLQX-MEBBXXQBSA-N -1 3 395.410 3.913 20 0 GHADHM Clc1cc(C=Cc2cncs2)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000822568478 607122999 /nfs/dbraw/zinc/12/29/99/607122999.db2.gz RYHWTVJYRURINY-WAYWQWQTSA-N -1 3 379.836 3.948 20 0 GHADHM Clc1cc(C=Cc2cncs2)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000822568478 607123001 /nfs/dbraw/zinc/12/30/01/607123001.db2.gz RYHWTVJYRURINY-WAYWQWQTSA-N -1 3 379.836 3.948 20 0 GHADHM Clc1ccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3Cl)o2)cc1 ZINC000822568028 607126169 /nfs/dbraw/zinc/12/61/69/607126169.db2.gz KLEYTKCXUFMWRW-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820534642 607134267 /nfs/dbraw/zinc/13/42/67/607134267.db2.gz MHKYCGHEHBEYDO-SECBINFHSA-N -1 3 386.774 3.849 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820534642 607134269 /nfs/dbraw/zinc/13/42/69/607134269.db2.gz MHKYCGHEHBEYDO-SECBINFHSA-N -1 3 386.774 3.849 20 0 GHADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nnc(-c2cccc(Cl)c2)o1 ZINC000820533530 607134273 /nfs/dbraw/zinc/13/42/73/607134273.db2.gz FHRZIBYQXSFMAV-SECBINFHSA-N -1 3 386.774 3.849 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nnc(-c2cccc(Cl)c2)o1 ZINC000820533530 607134275 /nfs/dbraw/zinc/13/42/75/607134275.db2.gz FHRZIBYQXSFMAV-SECBINFHSA-N -1 3 386.774 3.849 20 0 GHADHM Cc1ccccc1-c1nc(CSCCOc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822345613 607150869 /nfs/dbraw/zinc/15/08/69/607150869.db2.gz MNMFCEIGTAQORD-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823332468 607153376 /nfs/dbraw/zinc/15/33/76/607153376.db2.gz NPTOCZBGXSXIGG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(C(F)(F)F)ccc1F ZINC000823332468 607153377 /nfs/dbraw/zinc/15/33/77/607153377.db2.gz NPTOCZBGXSXIGG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM Clc1cc(Cl)cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822568846 607165020 /nfs/dbraw/zinc/16/50/20/607165020.db2.gz ZJQCJSIXVVUDPF-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1cc(Cl)cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822568846 607165022 /nfs/dbraw/zinc/16/50/22/607165022.db2.gz ZJQCJSIXVVUDPF-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM CC(C)(C)c1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000819957503 607166679 /nfs/dbraw/zinc/16/66/79/607166679.db2.gz AFPJCPDSQXRLLQ-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM CC(C)(C)c1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000819957503 607166681 /nfs/dbraw/zinc/16/66/81/607166681.db2.gz AFPJCPDSQXRLLQ-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM FC(F)(F)c1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822728779 607167736 /nfs/dbraw/zinc/16/77/36/607167736.db2.gz MQDFYFXZTYNSOW-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822728779 607167737 /nfs/dbraw/zinc/16/77/37/607167737.db2.gz MQDFYFXZTYNSOW-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823149983 607169288 /nfs/dbraw/zinc/16/92/88/607169288.db2.gz JMODHGNTTVUODL-OAHLLOKOSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823149983 607169289 /nfs/dbraw/zinc/16/92/89/607169289.db2.gz JMODHGNTTVUODL-OAHLLOKOSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299368 607192650 /nfs/dbraw/zinc/19/26/50/607192650.db2.gz UOCYCBMPHUOJLJ-UHFFFAOYSA-N -1 3 385.708 3.988 20 0 GHADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299368 607192651 /nfs/dbraw/zinc/19/26/51/607192651.db2.gz UOCYCBMPHUOJLJ-UHFFFAOYSA-N -1 3 385.708 3.988 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccnn3C3CCCC3)c2-c2nnn[n-]2)C1 ZINC000820733385 607235439 /nfs/dbraw/zinc/23/54/39/607235439.db2.gz FTLMKHUAQLAIBM-LLVKDONJSA-N -1 3 397.508 3.617 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccnn3C3CCCC3)c2-c2nn[n-]n2)C1 ZINC000820733385 607235440 /nfs/dbraw/zinc/23/54/40/607235440.db2.gz FTLMKHUAQLAIBM-LLVKDONJSA-N -1 3 397.508 3.617 20 0 GHADHM CCOc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821427623 607243489 /nfs/dbraw/zinc/24/34/89/607243489.db2.gz XHYWGKLLVPZNFI-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821427623 607243490 /nfs/dbraw/zinc/24/34/90/607243490.db2.gz XHYWGKLLVPZNFI-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(C2CC2)nc2ccccc21 ZINC000823450034 607246640 /nfs/dbraw/zinc/24/66/40/607246640.db2.gz IEOFFFDKSWFMCT-UHFFFAOYSA-N -1 3 375.363 3.651 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(C2CC2)nc2ccccc21 ZINC000823450034 607246641 /nfs/dbraw/zinc/24/66/41/607246641.db2.gz IEOFFFDKSWFMCT-UHFFFAOYSA-N -1 3 375.363 3.651 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000825608932 607776510 /nfs/dbraw/zinc/77/65/10/607776510.db2.gz FKBSZMUZCZLSQN-CQSZACIVSA-N -1 3 396.447 3.763 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000825608932 607776511 /nfs/dbraw/zinc/77/65/11/607776511.db2.gz FKBSZMUZCZLSQN-CQSZACIVSA-N -1 3 396.447 3.763 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825127815 607781454 /nfs/dbraw/zinc/78/14/54/607781454.db2.gz OORXNWUJXQTKTI-PBHICJAKSA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825127815 607781455 /nfs/dbraw/zinc/78/14/55/607781455.db2.gz OORXNWUJXQTKTI-PBHICJAKSA-N -1 3 396.520 3.798 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCOc1ccccc1C(C)C ZINC000825609705 607783099 /nfs/dbraw/zinc/78/30/99/607783099.db2.gz RQEUOWPSTSPVOI-UHFFFAOYSA-N -1 3 396.447 3.763 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCOc1ccccc1C(C)C ZINC000825609705 607783100 /nfs/dbraw/zinc/78/31/00/607783100.db2.gz RQEUOWPSTSPVOI-UHFFFAOYSA-N -1 3 396.447 3.763 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H](C)c2ccc(F)cc2F)s1 ZINC000825694187 607785593 /nfs/dbraw/zinc/78/55/93/607785593.db2.gz MTGTUWAWWRSZID-VIFPVBQESA-N -1 3 377.420 3.901 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H](C)c2ccc(F)cc2F)s1 ZINC000825694187 607785594 /nfs/dbraw/zinc/78/55/94/607785594.db2.gz MTGTUWAWWRSZID-VIFPVBQESA-N -1 3 377.420 3.901 20 0 GHADHM O=C(CS[C@@H]1CCc2c1cccc2Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826419561 607786141 /nfs/dbraw/zinc/78/61/41/607786141.db2.gz CTQUHXDAZJZPTN-QGZVFWFLSA-N -1 3 399.907 3.557 20 0 GHADHM O=C(CS[C@@H]1CCc2c1cccc2Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826419561 607786142 /nfs/dbraw/zinc/78/61/42/607786142.db2.gz CTQUHXDAZJZPTN-QGZVFWFLSA-N -1 3 399.907 3.557 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Br)c1 ZINC000510602894 607792033 /nfs/dbraw/zinc/79/20/33/607792033.db2.gz WOEJVIOLKFCOLJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Br)c1 ZINC000510602894 607792034 /nfs/dbraw/zinc/79/20/34/607792034.db2.gz WOEJVIOLKFCOLJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000824343082 607793485 /nfs/dbraw/zinc/79/34/85/607793485.db2.gz VSURKQFBQLMLIV-SAABIXHNSA-N -1 3 397.523 3.699 20 0 GHADHM CCCOc1ccc(CCC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825338947 607797967 /nfs/dbraw/zinc/79/79/67/607797967.db2.gz LCAIWOWGDZROBR-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM CCCOc1ccc(CCC(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825338947 607797968 /nfs/dbraw/zinc/79/79/68/607797968.db2.gz LCAIWOWGDZROBR-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736155040 607801017 /nfs/dbraw/zinc/80/10/17/607801017.db2.gz GFPHHEFGGLGYRW-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736155040 607801018 /nfs/dbraw/zinc/80/10/18/607801018.db2.gz GFPHHEFGGLGYRW-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824222776 607803643 /nfs/dbraw/zinc/80/36/43/607803643.db2.gz BARPASDOYJUOMO-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)C1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824222776 607803644 /nfs/dbraw/zinc/80/36/44/607803644.db2.gz BARPASDOYJUOMO-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(Br)cc1F ZINC000826372695 607808187 /nfs/dbraw/zinc/80/81/87/607808187.db2.gz IBGCMAXVKRDKJE-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(Br)cc1F ZINC000826372695 607808188 /nfs/dbraw/zinc/80/81/88/607808188.db2.gz IBGCMAXVKRDKJE-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367932 607816868 /nfs/dbraw/zinc/81/68/68/607816868.db2.gz XUAWAKUCUYXXGY-TZMCWYRMSA-N -1 3 382.468 3.575 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367932 607816869 /nfs/dbraw/zinc/81/68/69/607816869.db2.gz XUAWAKUCUYXXGY-TZMCWYRMSA-N -1 3 382.468 3.575 20 0 GHADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000826468158 607833600 /nfs/dbraw/zinc/83/36/00/607833600.db2.gz CREUJEZTPCEOHD-QMMMGPOBSA-N -1 3 394.184 3.588 20 0 GHADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000826468158 607833601 /nfs/dbraw/zinc/83/36/01/607833601.db2.gz CREUJEZTPCEOHD-QMMMGPOBSA-N -1 3 394.184 3.588 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826333585 607842074 /nfs/dbraw/zinc/84/20/74/607842074.db2.gz NNCGSHADIQBRTC-HNNXBMFYSA-N -1 3 391.401 3.577 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826333585 607842075 /nfs/dbraw/zinc/84/20/75/607842075.db2.gz NNCGSHADIQBRTC-HNNXBMFYSA-N -1 3 391.401 3.577 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824770782 607844435 /nfs/dbraw/zinc/84/44/35/607844435.db2.gz MJKLXJFARDGMEU-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824770782 607844436 /nfs/dbraw/zinc/84/44/36/607844436.db2.gz MJKLXJFARDGMEU-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826220212 607845517 /nfs/dbraw/zinc/84/55/17/607845517.db2.gz GHOWQNPFEIKYEC-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826220212 607845518 /nfs/dbraw/zinc/84/55/18/607845518.db2.gz GHOWQNPFEIKYEC-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1cnn(-c2ccccc2)c1 ZINC000826420794 607845911 /nfs/dbraw/zinc/84/59/11/607845911.db2.gz CHWHEVFWAVWATE-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)c1cnn(-c2ccccc2)c1 ZINC000826420794 607845912 /nfs/dbraw/zinc/84/59/12/607845912.db2.gz CHWHEVFWAVWATE-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM CCc1noc(C)c1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825775984 607855666 /nfs/dbraw/zinc/85/56/66/607855666.db2.gz BRUNOHUEMKNMKI-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1noc(C)c1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825775984 607855667 /nfs/dbraw/zinc/85/56/67/607855667.db2.gz BRUNOHUEMKNMKI-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cccc1-c1ccccn1 ZINC000826234697 607857323 /nfs/dbraw/zinc/85/73/23/607857323.db2.gz JSWOQVSLEHIJIM-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cccc1-c1ccccn1 ZINC000826234697 607857324 /nfs/dbraw/zinc/85/73/24/607857324.db2.gz JSWOQVSLEHIJIM-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367234 607877961 /nfs/dbraw/zinc/87/79/61/607877961.db2.gz LNXRFGUSUKSNPH-CYBMUJFWSA-N -1 3 397.866 3.829 20 0 GHADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367234 607877962 /nfs/dbraw/zinc/87/79/62/607877962.db2.gz LNXRFGUSUKSNPH-CYBMUJFWSA-N -1 3 397.866 3.829 20 0 GHADHM Cc1noc(C)c1CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826338642 607893311 /nfs/dbraw/zinc/89/33/11/607893311.db2.gz CGKOTIMRQPOQND-UHFFFAOYSA-N -1 3 378.461 3.868 20 0 GHADHM Cc1noc(C)c1CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826338642 607893312 /nfs/dbraw/zinc/89/33/12/607893312.db2.gz CGKOTIMRQPOQND-UHFFFAOYSA-N -1 3 378.461 3.868 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000824803864 607919649 /nfs/dbraw/zinc/91/96/49/607919649.db2.gz YHYACSOYBSQRGM-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824803864 607919650 /nfs/dbraw/zinc/91/96/50/607919650.db2.gz YHYACSOYBSQRGM-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000825621442 607925380 /nfs/dbraw/zinc/92/53/80/607925380.db2.gz TVMSIBLYCNUCCW-GOSISDBHSA-N -1 3 383.427 3.783 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000825621442 607925381 /nfs/dbraw/zinc/92/53/81/607925381.db2.gz TVMSIBLYCNUCCW-GOSISDBHSA-N -1 3 383.427 3.783 20 0 GHADHM CC(C)(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Br ZINC000824168128 607939744 /nfs/dbraw/zinc/93/97/44/607939744.db2.gz XUWLWTXSAILIHV-UHFFFAOYSA-N -1 3 390.260 3.793 20 0 GHADHM CC(C)(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Br ZINC000824168128 607939745 /nfs/dbraw/zinc/93/97/45/607939745.db2.gz XUWLWTXSAILIHV-UHFFFAOYSA-N -1 3 390.260 3.793 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826242659 607950667 /nfs/dbraw/zinc/95/06/67/607950667.db2.gz ZVPSNPQRKYAHFB-OAHLLOKOSA-N -1 3 390.491 3.834 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826242659 607950668 /nfs/dbraw/zinc/95/06/68/607950668.db2.gz ZVPSNPQRKYAHFB-OAHLLOKOSA-N -1 3 390.491 3.834 20 0 GHADHM O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397735 607951129 /nfs/dbraw/zinc/95/11/29/607951129.db2.gz JSOPLCBBQNVJLV-NRFANRHFSA-N -1 3 397.438 3.576 20 0 GHADHM O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397735 607951130 /nfs/dbraw/zinc/95/11/30/607951130.db2.gz JSOPLCBBQNVJLV-NRFANRHFSA-N -1 3 397.438 3.576 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1Br ZINC000826260589 607963341 /nfs/dbraw/zinc/96/33/41/607963341.db2.gz VZKQCLIWPKGLMN-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Br ZINC000826260589 607963342 /nfs/dbraw/zinc/96/33/42/607963342.db2.gz VZKQCLIWPKGLMN-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nnn[n-]2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826336710 607965766 /nfs/dbraw/zinc/96/57/66/607965766.db2.gz KDIGMTCISHIUFV-UKRRQHHQSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2ccccc2-c2nn[n-]n2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826336710 607965767 /nfs/dbraw/zinc/96/57/67/607965767.db2.gz KDIGMTCISHIUFV-UKRRQHHQSA-N -1 3 399.524 3.689 20 0 GHADHM COc1ccc(COc2cccc(NC(=O)OC(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000826207122 607972783 /nfs/dbraw/zinc/97/27/83/607972783.db2.gz AUWMQYMRUVTWAL-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1ccc(COc2cccc(NC(=O)OC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000826207122 607972784 /nfs/dbraw/zinc/97/27/84/607972784.db2.gz AUWMQYMRUVTWAL-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1-c1nnn[n-]1 ZINC000826207332 607983733 /nfs/dbraw/zinc/98/37/33/607983733.db2.gz KEZUDLYYPKHEGO-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC000826207332 607983734 /nfs/dbraw/zinc/98/37/34/607983734.db2.gz KEZUDLYYPKHEGO-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823944113 607995130 /nfs/dbraw/zinc/99/51/30/607995130.db2.gz XUOOVSTYBRXOIR-JLHYYAGUSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823944113 607995131 /nfs/dbraw/zinc/99/51/31/607995131.db2.gz XUOOVSTYBRXOIR-JLHYYAGUSA-N -1 3 379.851 3.729 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1sccc1-c1nnn[n-]1 ZINC000826406710 608024388 /nfs/dbraw/zinc/02/43/88/608024388.db2.gz JNOQNOMXGSEBNP-UHFFFAOYSA-N -1 3 386.868 3.955 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1sccc1-c1nn[n-]n1 ZINC000826406710 608024389 /nfs/dbraw/zinc/02/43/89/608024389.db2.gz JNOQNOMXGSEBNP-UHFFFAOYSA-N -1 3 386.868 3.955 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826329653 608027479 /nfs/dbraw/zinc/02/74/79/608027479.db2.gz MHUJLLXPIUHRTO-QXMHVHEDSA-N -1 3 382.427 3.889 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826329653 608027480 /nfs/dbraw/zinc/02/74/80/608027480.db2.gz MHUJLLXPIUHRTO-QXMHVHEDSA-N -1 3 382.427 3.889 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081109 608028809 /nfs/dbraw/zinc/02/88/09/608028809.db2.gz GICOAJFDLUYMAM-CHWSQXEVSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081109 608028810 /nfs/dbraw/zinc/02/88/10/608028810.db2.gz GICOAJFDLUYMAM-CHWSQXEVSA-N -1 3 380.452 3.830 20 0 GHADHM O=C(NCc1ccc[nH]1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826442055 608072968 /nfs/dbraw/zinc/07/29/68/608072968.db2.gz HPIAFSXIOUKUKL-UHFFFAOYSA-N -1 3 394.822 3.571 20 0 GHADHM O=C(NCc1ccc[nH]1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826442055 608072969 /nfs/dbraw/zinc/07/29/69/608072969.db2.gz HPIAFSXIOUKUKL-UHFFFAOYSA-N -1 3 394.822 3.571 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826429685 608073598 /nfs/dbraw/zinc/07/35/98/608073598.db2.gz KBOWDIVUXQTZDF-UHFFFAOYSA-N -1 3 383.402 3.841 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826429685 608073599 /nfs/dbraw/zinc/07/35/99/608073599.db2.gz KBOWDIVUXQTZDF-UHFFFAOYSA-N -1 3 383.402 3.841 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499066 608098641 /nfs/dbraw/zinc/09/86/41/608098641.db2.gz NHAFVISMFJVQES-BIENJYKASA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499066 608098642 /nfs/dbraw/zinc/09/86/42/608098642.db2.gz NHAFVISMFJVQES-BIENJYKASA-N -1 3 376.464 3.551 20 0 GHADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824967978 608102457 /nfs/dbraw/zinc/10/24/57/608102457.db2.gz OIEBNZJWLNWLOX-JLTOFOAXSA-N -1 3 393.516 3.540 20 0 GHADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824967978 608102458 /nfs/dbraw/zinc/10/24/58/608102458.db2.gz OIEBNZJWLNWLOX-JLTOFOAXSA-N -1 3 393.516 3.540 20 0 GHADHM CCOC(=O)C(=Cc1ccc(-c2nnn[n-]2)s1)c1nc(C(C)C)c(C)s1 ZINC000825485856 608109381 /nfs/dbraw/zinc/10/93/81/608109381.db2.gz KKLJWKXIJXTDRH-XYOKQWHBSA-N -1 3 389.506 3.920 20 0 GHADHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477532 608111466 /nfs/dbraw/zinc/11/14/66/608111466.db2.gz FZHBLUNAZFBNRH-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477532 608111467 /nfs/dbraw/zinc/11/14/67/608111467.db2.gz FZHBLUNAZFBNRH-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826401556 608128701 /nfs/dbraw/zinc/12/87/01/608128701.db2.gz BMXVWRFKNIURMN-FDMDGMSGSA-N -1 3 382.807 3.600 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826401556 608128702 /nfs/dbraw/zinc/12/87/02/608128702.db2.gz BMXVWRFKNIURMN-FDMDGMSGSA-N -1 3 382.807 3.600 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825014272 608141085 /nfs/dbraw/zinc/14/10/85/608141085.db2.gz VGXNFXANVAVMNO-GFCCVEGCSA-N -1 3 399.907 3.838 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825014272 608141086 /nfs/dbraw/zinc/14/10/86/608141086.db2.gz VGXNFXANVAVMNO-GFCCVEGCSA-N -1 3 399.907 3.838 20 0 GHADHM CC(=O)c1ccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc1 ZINC000824024576 608184710 /nfs/dbraw/zinc/18/47/10/608184710.db2.gz KINWZUCFTXHNCM-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ncccc1-c1ccccc1 ZINC000826421013 608212580 /nfs/dbraw/zinc/21/25/80/608212580.db2.gz NNSBVBKPMQGOKO-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ncccc1-c1ccccc1 ZINC000826421013 608212581 /nfs/dbraw/zinc/21/25/81/608212581.db2.gz NNSBVBKPMQGOKO-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2cc(-c4nnn[n-]4)ccc2n1)CC3 ZINC000826375880 608222240 /nfs/dbraw/zinc/22/22/40/608222240.db2.gz FXPVWFCSOGJEPF-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2cc(-c4nn[n-]n4)ccc2n1)CC3 ZINC000826375880 608222241 /nfs/dbraw/zinc/22/22/41/608222241.db2.gz FXPVWFCSOGJEPF-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM FC(F)COc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826369727 608225592 /nfs/dbraw/zinc/22/55/92/608225592.db2.gz OMDRLXFAWKPQLM-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM FC(F)COc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826369727 608225593 /nfs/dbraw/zinc/22/55/93/608225593.db2.gz OMDRLXFAWKPQLM-UHFFFAOYSA-N -1 3 382.374 3.671 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826520379 608226083 /nfs/dbraw/zinc/22/60/83/608226083.db2.gz ICEVIAUSGDCGIL-WIYYLYMNSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826520379 608226084 /nfs/dbraw/zinc/22/60/84/608226084.db2.gz ICEVIAUSGDCGIL-WIYYLYMNSA-N -1 3 386.459 3.995 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000825577314 608229914 /nfs/dbraw/zinc/22/99/14/608229914.db2.gz VMPOJWAQRGVWDR-GFCCVEGCSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000825577314 608229916 /nfs/dbraw/zinc/22/99/16/608229916.db2.gz VMPOJWAQRGVWDR-GFCCVEGCSA-N -1 3 395.492 3.605 20 0 GHADHM C[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824385679 608256384 /nfs/dbraw/zinc/25/63/84/608256384.db2.gz YXKSGPXKTOHKJP-ZIAGYGMSSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824385679 608256386 /nfs/dbraw/zinc/25/63/86/608256386.db2.gz YXKSGPXKTOHKJP-ZIAGYGMSSA-N -1 3 383.883 3.966 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000826423613 608259757 /nfs/dbraw/zinc/25/97/57/608259757.db2.gz XXHHDMMBBNXFSM-UHFFFAOYSA-N -1 3 397.438 3.650 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000826423613 608259759 /nfs/dbraw/zinc/25/97/59/608259759.db2.gz XXHHDMMBBNXFSM-UHFFFAOYSA-N -1 3 397.438 3.650 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)cc2Cl)n1 ZINC000826276529 608278745 /nfs/dbraw/zinc/27/87/45/608278745.db2.gz KEEMTQMVUUKRLQ-UHFFFAOYSA-N -1 3 379.649 3.598 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)cc2Cl)n1 ZINC000826276529 608278746 /nfs/dbraw/zinc/27/87/46/608278746.db2.gz KEEMTQMVUUKRLQ-UHFFFAOYSA-N -1 3 379.649 3.598 20 0 GHADHM c1ccc(-c2ccc(CNc3nc(C4CC4)ns3)cc2)c(-c2nnn[n-]2)c1 ZINC000826519574 608295004 /nfs/dbraw/zinc/29/50/04/608295004.db2.gz FCOUBFPMELSZPU-UHFFFAOYSA-N -1 3 375.461 3.875 20 0 GHADHM c1ccc(-c2ccc(CNc3nc(C4CC4)ns3)cc2)c(-c2nn[n-]n2)c1 ZINC000826519574 608295006 /nfs/dbraw/zinc/29/50/06/608295006.db2.gz FCOUBFPMELSZPU-UHFFFAOYSA-N -1 3 375.461 3.875 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826368275 608298350 /nfs/dbraw/zinc/29/83/50/608298350.db2.gz JQTYECGBOJXYHR-OLZOCXBDSA-N -1 3 381.402 3.529 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000825958334 608309218 /nfs/dbraw/zinc/30/92/18/608309218.db2.gz SAEUPFDSLVBBJI-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000825958334 608309220 /nfs/dbraw/zinc/30/92/20/608309220.db2.gz SAEUPFDSLVBBJI-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812711 608309355 /nfs/dbraw/zinc/30/93/55/608309355.db2.gz RNSGUWWJMNNXDC-CLTKARDFSA-N -1 3 378.823 3.678 20 0 GHADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812711 608309357 /nfs/dbraw/zinc/30/93/57/608309357.db2.gz RNSGUWWJMNNXDC-CLTKARDFSA-N -1 3 378.823 3.678 20 0 GHADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC)c(C(F)(F)F)c1 ZINC000826210673 608321146 /nfs/dbraw/zinc/32/11/46/608321146.db2.gz ZVPLUNGCLOMZNL-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC)c(C(F)(F)F)c1 ZINC000826210673 608321148 /nfs/dbraw/zinc/32/11/48/608321148.db2.gz ZVPLUNGCLOMZNL-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM Cc1cscc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826321230 608328315 /nfs/dbraw/zinc/32/83/15/608328315.db2.gz WHHARBVQZQGTOI-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1cscc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826321230 608328318 /nfs/dbraw/zinc/32/83/18/608328318.db2.gz WHHARBVQZQGTOI-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362626 608342249 /nfs/dbraw/zinc/34/22/49/608342249.db2.gz PYVIHMWMCNOTQY-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362626 608342250 /nfs/dbraw/zinc/34/22/50/608342250.db2.gz PYVIHMWMCNOTQY-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)C1(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368000 608344742 /nfs/dbraw/zinc/34/47/42/608344742.db2.gz ZFGVJTJXXLSRBE-UHFFFAOYSA-N -1 3 381.867 3.896 20 0 GHADHM CCN(C(=O)C1(Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368000 608344745 /nfs/dbraw/zinc/34/47/45/608344745.db2.gz ZFGVJTJXXLSRBE-UHFFFAOYSA-N -1 3 381.867 3.896 20 0 GHADHM CCCN(CCC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825314226 608356909 /nfs/dbraw/zinc/35/69/09/608356909.db2.gz YXGLXZXQILOJRJ-UHFFFAOYSA-N -1 3 378.480 3.865 20 0 GHADHM CCCN(CCC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825314226 608356911 /nfs/dbraw/zinc/35/69/11/608356911.db2.gz YXGLXZXQILOJRJ-UHFFFAOYSA-N -1 3 378.480 3.865 20 0 GHADHM Cc1c2c(nc(SC[C@@H](O)c3ccc(Cl)cc3)c1-c1nnn[n-]1)CCC2 ZINC000826243107 608392847 /nfs/dbraw/zinc/39/28/47/608392847.db2.gz URJVLOVSPBMSFZ-OAHLLOKOSA-N -1 3 387.896 3.538 20 0 GHADHM Cc1c2c(nc(SC[C@@H](O)c3ccc(Cl)cc3)c1-c1nn[n-]n1)CCC2 ZINC000826243107 608392848 /nfs/dbraw/zinc/39/28/48/608392848.db2.gz URJVLOVSPBMSFZ-OAHLLOKOSA-N -1 3 387.896 3.538 20 0 GHADHM Cc1nn(-c2ccccc2)c(CSc2ccc(N)cc2Cl)c1-c1nnn[n-]1 ZINC000826332905 608401913 /nfs/dbraw/zinc/40/19/13/608401913.db2.gz MIIDUPIDBDDZMA-UHFFFAOYSA-N -1 3 397.895 3.889 20 0 GHADHM Fc1c(CSCc2nc(C(F)(F)F)cs2)cccc1-c1nnn[n-]1 ZINC000826371003 608404754 /nfs/dbraw/zinc/40/47/54/608404754.db2.gz OUKMXWMMVNBNFZ-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM Fc1c(CSCc2nc(C(F)(F)F)cs2)cccc1-c1nn[n-]n1 ZINC000826371003 608404755 /nfs/dbraw/zinc/40/47/55/608404755.db2.gz OUKMXWMMVNBNFZ-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Br ZINC000824617726 608424339 /nfs/dbraw/zinc/42/43/39/608424339.db2.gz JVKAXBXMESEXTL-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Br ZINC000824617726 608424341 /nfs/dbraw/zinc/42/43/41/608424341.db2.gz JVKAXBXMESEXTL-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM C[C@@H](NCc1csc(-c2ccccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626451 608467525 /nfs/dbraw/zinc/46/75/25/608467525.db2.gz ONNCIPVRBUKWAH-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000823942847 608481074 /nfs/dbraw/zinc/48/10/74/608481074.db2.gz KHRWRPZKZRRLNL-CCEZHUSRSA-N -1 3 389.434 3.725 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000823942847 608481076 /nfs/dbraw/zinc/48/10/76/608481076.db2.gz KHRWRPZKZRRLNL-CCEZHUSRSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C=Cc1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826402606 608485537 /nfs/dbraw/zinc/48/55/37/608485537.db2.gz YADIQTIAPWXIIY-KTKRTIGZSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826402606 608485538 /nfs/dbraw/zinc/48/55/38/608485538.db2.gz YADIQTIAPWXIIY-KTKRTIGZSA-N -1 3 391.862 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cccc(OC(C)(C)C)n1 ZINC000826167745 608528617 /nfs/dbraw/zinc/52/86/17/608528617.db2.gz PIXXDFAXALRMMZ-UHFFFAOYSA-N -1 3 389.843 3.680 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cccc(OC(C)(C)C)n1 ZINC000826167745 608528618 /nfs/dbraw/zinc/52/86/18/608528618.db2.gz PIXXDFAXALRMMZ-UHFFFAOYSA-N -1 3 389.843 3.680 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826456093 608545221 /nfs/dbraw/zinc/54/52/21/608545221.db2.gz PSXFRBXGXLOOBS-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826456093 608545223 /nfs/dbraw/zinc/54/52/23/608545223.db2.gz PSXFRBXGXLOOBS-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM C[C@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824874525 608545423 /nfs/dbraw/zinc/54/54/23/608545423.db2.gz DKXNAAPRKDRVDP-DZGCQCFKSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824874525 608545425 /nfs/dbraw/zinc/54/54/25/608545425.db2.gz DKXNAAPRKDRVDP-DZGCQCFKSA-N -1 3 392.415 3.570 20 0 GHADHM CCCN(Cc1c(Cl)nc2ccccn21)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825318766 608545785 /nfs/dbraw/zinc/54/57/85/608545785.db2.gz ROUJXBTVZSLAHN-UHFFFAOYSA-N -1 3 381.871 3.580 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000826184305 608555721 /nfs/dbraw/zinc/55/57/21/608555721.db2.gz SBSIKMUZVRKJOZ-UHFFFAOYSA-N -1 3 390.274 3.961 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000824910329 608596973 /nfs/dbraw/zinc/59/69/73/608596973.db2.gz XCXHXUHWUCXCIB-KGLIPLIRSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000824910329 608596974 /nfs/dbraw/zinc/59/69/74/608596974.db2.gz XCXHXUHWUCXCIB-KGLIPLIRSA-N -1 3 393.451 3.706 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826408240 608601271 /nfs/dbraw/zinc/60/12/71/608601271.db2.gz WUMNWELESNFABO-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826408240 608601273 /nfs/dbraw/zinc/60/12/73/608601273.db2.gz WUMNWELESNFABO-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM FC(F)CN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000826369877 608693208 /nfs/dbraw/zinc/69/32/08/608693208.db2.gz UOZOHUGSQYSSEF-UHFFFAOYSA-N -1 3 385.418 3.675 20 0 GHADHM FC(F)CN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000826369877 608693209 /nfs/dbraw/zinc/69/32/09/608693209.db2.gz UOZOHUGSQYSSEF-UHFFFAOYSA-N -1 3 385.418 3.675 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)c1 ZINC000826369040 608736467 /nfs/dbraw/zinc/73/64/67/608736467.db2.gz JYWJFXFKRODQPK-OAHLLOKOSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)c1 ZINC000826369040 608736468 /nfs/dbraw/zinc/73/64/68/608736468.db2.gz JYWJFXFKRODQPK-OAHLLOKOSA-N -1 3 395.410 3.521 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826323902 608745351 /nfs/dbraw/zinc/74/53/51/608745351.db2.gz WTAHQQGLTNKGDX-CYBMUJFWSA-N -1 3 396.524 3.596 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826323902 608745353 /nfs/dbraw/zinc/74/53/53/608745353.db2.gz WTAHQQGLTNKGDX-CYBMUJFWSA-N -1 3 396.524 3.596 20 0 GHADHM c1[nH]c2ccccc2c1[C@@H](CNc1cnccc1-c1nnn[n-]1)c1ccccc1 ZINC000826520663 608767740 /nfs/dbraw/zinc/76/77/40/608767740.db2.gz PAUADKHJJZWMQK-SFHVURJKSA-N -1 3 381.443 3.987 20 0 GHADHM c1[nH]c2ccccc2c1[C@@H](CNc1cnccc1-c1nn[n-]n1)c1ccccc1 ZINC000826520663 608767741 /nfs/dbraw/zinc/76/77/41/608767741.db2.gz PAUADKHJJZWMQK-SFHVURJKSA-N -1 3 381.443 3.987 20 0 GHADHM COc1cc([C@H](C)Nc2cnccc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC000826177736 608775199 /nfs/dbraw/zinc/77/51/99/608775199.db2.gz SMHXJKXLANFFLZ-AWEZNQCLSA-N -1 3 382.468 3.868 20 0 GHADHM COc1cc([C@H](C)Nc2cnccc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC000826177736 608775202 /nfs/dbraw/zinc/77/52/02/608775202.db2.gz SMHXJKXLANFFLZ-AWEZNQCLSA-N -1 3 382.468 3.868 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H](c1nccs1)c1ccccc1 ZINC000826402107 608821745 /nfs/dbraw/zinc/82/17/45/608821745.db2.gz MYRNLQWOKGDABX-ZGKFYVQTSA-N -1 3 389.440 3.669 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H](c1nccs1)c1ccccc1 ZINC000826402107 608821749 /nfs/dbraw/zinc/82/17/49/608821749.db2.gz MYRNLQWOKGDABX-ZGKFYVQTSA-N -1 3 389.440 3.669 20 0 GHADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825012225 608828333 /nfs/dbraw/zinc/82/83/33/608828333.db2.gz FGRSPPOXOYDVBD-QWHCGFSZSA-N -1 3 397.479 3.632 20 0 GHADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825012225 608828336 /nfs/dbraw/zinc/82/83/36/608828336.db2.gz FGRSPPOXOYDVBD-QWHCGFSZSA-N -1 3 397.479 3.632 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)cn2)c1-c1nnn[n-]1 ZINC000826234457 609166365 /nfs/dbraw/zinc/16/63/65/609166365.db2.gz XOTIFCBZOCLSKN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)cn2)c1-c1nn[n-]n1 ZINC000826234457 609166367 /nfs/dbraw/zinc/16/63/67/609166367.db2.gz XOTIFCBZOCLSKN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CC[C@H](C)O2)c1-c1nnn[n-]1 ZINC000826233548 609168365 /nfs/dbraw/zinc/16/83/65/609168365.db2.gz LXHQILJYDFRQAD-GUYCJALGSA-N -1 3 394.479 3.560 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CC[C@H](C)O2)c1-c1nn[n-]n1 ZINC000826233548 609168367 /nfs/dbraw/zinc/16/83/67/609168367.db2.gz LXHQILJYDFRQAD-GUYCJALGSA-N -1 3 394.479 3.560 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000825480726 609177988 /nfs/dbraw/zinc/17/79/88/609177988.db2.gz HYLBQGINAATISC-UHFFFAOYSA-N -1 3 390.447 3.634 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)nn1-c1ccccc1Cl ZINC000826271376 609180484 /nfs/dbraw/zinc/18/04/84/609180484.db2.gz OPXROTUTXSGKBS-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)nn1-c1ccccc1Cl ZINC000826271376 609180485 /nfs/dbraw/zinc/18/04/85/609180485.db2.gz OPXROTUTXSGKBS-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825076918 609215991 /nfs/dbraw/zinc/21/59/91/609215991.db2.gz YZIWUDOYHTUOQI-ACJLOTCBSA-N -1 3 397.504 3.738 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825076918 609215993 /nfs/dbraw/zinc/21/59/93/609215993.db2.gz YZIWUDOYHTUOQI-ACJLOTCBSA-N -1 3 397.504 3.738 20 0 GHADHM CCN(C(=O)c1ccc(C(C)=O)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379177 609237071 /nfs/dbraw/zinc/23/70/71/609237071.db2.gz BGOSHTQMFSLLGO-UHFFFAOYSA-N -1 3 387.802 3.529 20 0 GHADHM CCN(C(=O)c1ccc(C(C)=O)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379177 609237073 /nfs/dbraw/zinc/23/70/73/609237073.db2.gz BGOSHTQMFSLLGO-UHFFFAOYSA-N -1 3 387.802 3.529 20 0 GHADHM COCCOc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC000826162883 609237216 /nfs/dbraw/zinc/23/72/16/609237216.db2.gz WSTQWVVXFNEBOQ-FQEVSTJZSA-N -1 3 379.464 3.690 20 0 GHADHM COCCOc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC000826162883 609237218 /nfs/dbraw/zinc/23/72/18/609237218.db2.gz WSTQWVVXFNEBOQ-FQEVSTJZSA-N -1 3 379.464 3.690 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2-c2nnn[n-]2)CC1 ZINC000826507234 609241059 /nfs/dbraw/zinc/24/10/59/609241059.db2.gz KZUGJQFYLBKPKY-BRWVUGGUSA-N -1 3 396.539 3.599 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2-c2nn[n-]n2)CC1 ZINC000826507234 609241061 /nfs/dbraw/zinc/24/10/61/609241061.db2.gz KZUGJQFYLBKPKY-BRWVUGGUSA-N -1 3 396.539 3.599 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656119 609251651 /nfs/dbraw/zinc/25/16/51/609251651.db2.gz HUYVLFIUNGHPLE-SECBINFHSA-N -1 3 382.321 3.515 20 0 GHADHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656119 609251652 /nfs/dbraw/zinc/25/16/52/609251652.db2.gz HUYVLFIUNGHPLE-SECBINFHSA-N -1 3 382.321 3.515 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc(Oc2cccnc2)c1 ZINC000826402121 609257882 /nfs/dbraw/zinc/25/78/82/609257882.db2.gz NKIAIECLFRBHCI-ZHACJKMWSA-N -1 3 385.383 3.673 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc(Oc2cccnc2)c1 ZINC000826402121 609257883 /nfs/dbraw/zinc/25/78/83/609257883.db2.gz NKIAIECLFRBHCI-ZHACJKMWSA-N -1 3 385.383 3.673 20 0 GHADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825953358 609269586 /nfs/dbraw/zinc/26/95/86/609269586.db2.gz GUWGZASRHVPXOI-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825953358 609269588 /nfs/dbraw/zinc/26/95/88/609269588.db2.gz GUWGZASRHVPXOI-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CC(C)OC(=O)NCc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309653 609278982 /nfs/dbraw/zinc/27/89/82/609278982.db2.gz UDAAQZPWYDFKNJ-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM CC(C)OC(=O)NCc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309653 609278984 /nfs/dbraw/zinc/27/89/84/609278984.db2.gz UDAAQZPWYDFKNJ-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM CN(C)c1nc2cc(N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)ccc2o1 ZINC000825882981 609279972 /nfs/dbraw/zinc/27/99/72/609279972.db2.gz AKGQOSGLWLNVJH-INIZCTEOSA-N -1 3 375.436 3.563 20 0 GHADHM CN(C)c1nc2cc(N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc2o1 ZINC000825882981 609279974 /nfs/dbraw/zinc/27/99/74/609279974.db2.gz AKGQOSGLWLNVJH-INIZCTEOSA-N -1 3 375.436 3.563 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC000824522881 609287806 /nfs/dbraw/zinc/28/78/06/609287806.db2.gz WEEYLVRVVXJCEJ-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000824522881 609287807 /nfs/dbraw/zinc/28/78/07/609287807.db2.gz WEEYLVRVVXJCEJ-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000826472914 609290901 /nfs/dbraw/zinc/29/09/01/609290901.db2.gz CCYFFXCGTBKRHK-OAHLLOKOSA-N -1 3 381.867 3.930 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000826472914 609290902 /nfs/dbraw/zinc/29/09/02/609290902.db2.gz CCYFFXCGTBKRHK-OAHLLOKOSA-N -1 3 381.867 3.930 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824459097 609291608 /nfs/dbraw/zinc/29/16/08/609291608.db2.gz ZZYIIUMJXJHDPM-NSHDSACASA-N -1 3 390.274 3.877 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824459097 609291610 /nfs/dbraw/zinc/29/16/10/609291610.db2.gz ZZYIIUMJXJHDPM-NSHDSACASA-N -1 3 390.274 3.877 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825985859 609307132 /nfs/dbraw/zinc/30/71/32/609307132.db2.gz DBECVUNHKCLRLE-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825985859 609307134 /nfs/dbraw/zinc/30/71/34/609307134.db2.gz DBECVUNHKCLRLE-UHFFFAOYSA-N -1 3 391.456 3.993 20 0 GHADHM Cc1nnc(SCCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1C ZINC000826336514 609308303 /nfs/dbraw/zinc/30/83/03/609308303.db2.gz BETBLTXEOQHLFF-UHFFFAOYSA-N -1 3 392.488 3.988 20 0 GHADHM Cc1nnc(SCCCOc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1C ZINC000826336514 609308305 /nfs/dbraw/zinc/30/83/05/609308305.db2.gz BETBLTXEOQHLFF-UHFFFAOYSA-N -1 3 392.488 3.988 20 0 GHADHM CC(C)n1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000824371910 609315875 /nfs/dbraw/zinc/31/58/75/609315875.db2.gz YEMGUVFYZBSGSK-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)n1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000824371910 609315877 /nfs/dbraw/zinc/31/58/77/609315877.db2.gz YEMGUVFYZBSGSK-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)COC(C)(C)C ZINC000826271665 609317013 /nfs/dbraw/zinc/31/70/13/609317013.db2.gz BIACUYVUVDCBMQ-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)COC(C)(C)C ZINC000826271665 609317014 /nfs/dbraw/zinc/31/70/14/609317014.db2.gz BIACUYVUVDCBMQ-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM C[C@H](NCc1ccc(OC2CCCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824619740 609331959 /nfs/dbraw/zinc/33/19/59/609331959.db2.gz ZQNVSFMKVHJMMR-AWEZNQCLSA-N -1 3 396.470 3.963 20 0 GHADHM CCOCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825605061 609340085 /nfs/dbraw/zinc/34/00/85/609340085.db2.gz PIWAKBAIHGBYGT-HNNXBMFYSA-N -1 3 399.470 3.580 20 0 GHADHM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663382 609348041 /nfs/dbraw/zinc/34/80/41/609348041.db2.gz YQRGMRLPWSAMPM-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663382 609348043 /nfs/dbraw/zinc/34/80/43/609348043.db2.gz YQRGMRLPWSAMPM-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM CC(C)N(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824297122 609358094 /nfs/dbraw/zinc/35/80/94/609358094.db2.gz QQZAKMRNNLEMLK-UHFFFAOYSA-N -1 3 376.258 3.633 20 0 GHADHM CC(C)N(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824297122 609358096 /nfs/dbraw/zinc/35/80/96/609358096.db2.gz QQZAKMRNNLEMLK-UHFFFAOYSA-N -1 3 376.258 3.633 20 0 GHADHM C[C@H](c1cccs1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770369 609358322 /nfs/dbraw/zinc/35/83/22/609358322.db2.gz JNKLSIQTSONKCQ-SNVBAGLBSA-N -1 3 378.299 3.884 20 0 GHADHM C[C@H](c1cccs1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770369 609358325 /nfs/dbraw/zinc/35/83/25/609358325.db2.gz JNKLSIQTSONKCQ-SNVBAGLBSA-N -1 3 378.299 3.884 20 0 GHADHM Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2Br)C2CC2)o1 ZINC000826288051 609360301 /nfs/dbraw/zinc/36/03/01/609360301.db2.gz OXOQFHMFQCLRHO-UHFFFAOYSA-N -1 3 388.269 3.695 20 0 GHADHM Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2Br)C2CC2)o1 ZINC000826288051 609360302 /nfs/dbraw/zinc/36/03/02/609360302.db2.gz OXOQFHMFQCLRHO-UHFFFAOYSA-N -1 3 388.269 3.695 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826453829 609382135 /nfs/dbraw/zinc/38/21/35/609382135.db2.gz AYVQVPJAEYZTBN-CYBMUJFWSA-N -1 3 398.417 3.947 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826453829 609382136 /nfs/dbraw/zinc/38/21/36/609382136.db2.gz AYVQVPJAEYZTBN-CYBMUJFWSA-N -1 3 398.417 3.947 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000824976371 609385428 /nfs/dbraw/zinc/38/54/28/609385428.db2.gz OJIFBUSJTVDOCH-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000824976371 609385432 /nfs/dbraw/zinc/38/54/32/609385432.db2.gz OJIFBUSJTVDOCH-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826286921 609425920 /nfs/dbraw/zinc/42/59/20/609425920.db2.gz VTXURUVQKGJDDT-MRXNPFEDSA-N -1 3 375.476 3.545 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826286921 609425924 /nfs/dbraw/zinc/42/59/24/609425924.db2.gz VTXURUVQKGJDDT-MRXNPFEDSA-N -1 3 375.476 3.545 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917117 609432765 /nfs/dbraw/zinc/43/27/65/609432765.db2.gz MBKUIPSDBHCHKA-BMLIUANNSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917117 609432767 /nfs/dbraw/zinc/43/27/67/609432767.db2.gz MBKUIPSDBHCHKA-BMLIUANNSA-N -1 3 380.279 3.826 20 0 GHADHM Fc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c(F)c1 ZINC000826374858 609446464 /nfs/dbraw/zinc/44/64/64/609446464.db2.gz OSOOXROOKRWYKG-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826452685 609448821 /nfs/dbraw/zinc/44/88/21/609448821.db2.gz CYMVUZXLFDFDJN-UHFFFAOYSA-N -1 3 399.405 3.779 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826452685 609448823 /nfs/dbraw/zinc/44/88/23/609448823.db2.gz CYMVUZXLFDFDJN-UHFFFAOYSA-N -1 3 399.405 3.779 20 0 GHADHM FC(F)(F)c1cc(SCc2cnc3ccccn23)ccc1-c1nnn[n-]1 ZINC000826368224 609453640 /nfs/dbraw/zinc/45/36/40/609453640.db2.gz HSUWORAVGVWYSG-UHFFFAOYSA-N -1 3 376.367 3.826 20 0 GHADHM FC(F)(F)c1cc(SCc2cnc3ccccn23)ccc1-c1nn[n-]n1 ZINC000826368224 609453643 /nfs/dbraw/zinc/45/36/43/609453643.db2.gz HSUWORAVGVWYSG-UHFFFAOYSA-N -1 3 376.367 3.826 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSCc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826366008 609453791 /nfs/dbraw/zinc/45/37/91/609453791.db2.gz OGNPVGUZMJITHJ-UHFFFAOYSA-N -1 3 388.806 3.706 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSCc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826366008 609453794 /nfs/dbraw/zinc/45/37/94/609453794.db2.gz OGNPVGUZMJITHJ-UHFFFAOYSA-N -1 3 388.806 3.706 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825604934 609478238 /nfs/dbraw/zinc/47/82/38/609478238.db2.gz LWQBEWDAQFGOGN-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825604934 609478239 /nfs/dbraw/zinc/47/82/39/609478239.db2.gz LWQBEWDAQFGOGN-UHFFFAOYSA-N -1 3 391.834 3.687 20 0 GHADHM COc1cc(C)c(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1OC ZINC000826178130 609479030 /nfs/dbraw/zinc/47/90/30/609479030.db2.gz LFZJXZRWKSCAIE-UHFFFAOYSA-N -1 3 383.452 3.592 20 0 GHADHM COc1cc(C)c(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1OC ZINC000826178130 609479032 /nfs/dbraw/zinc/47/90/32/609479032.db2.gz LFZJXZRWKSCAIE-UHFFFAOYSA-N -1 3 383.452 3.592 20 0 GHADHM Clc1cc(NCC2=CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350801 609484171 /nfs/dbraw/zinc/48/41/71/609484171.db2.gz LUXWFJFOTPOPDC-UHFFFAOYSA-N -1 3 397.866 3.858 20 0 GHADHM Clc1cc(NCC2=CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350801 609484174 /nfs/dbraw/zinc/48/41/74/609484174.db2.gz LUXWFJFOTPOPDC-UHFFFAOYSA-N -1 3 397.866 3.858 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC000825553004 609487524 /nfs/dbraw/zinc/48/75/24/609487524.db2.gz HMSWZOYNECFFER-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC000825553004 609487526 /nfs/dbraw/zinc/48/75/26/609487526.db2.gz HMSWZOYNECFFER-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824929473 609489222 /nfs/dbraw/zinc/48/92/22/609489222.db2.gz XWLWOTRICHXQBG-FOIQADDNSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824929473 609489224 /nfs/dbraw/zinc/48/92/24/609489224.db2.gz XWLWOTRICHXQBG-FOIQADDNSA-N -1 3 393.466 3.971 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccn2CCC(C)C)cc1-c1nnn[n-]1 ZINC000825553487 609490807 /nfs/dbraw/zinc/49/08/07/609490807.db2.gz RIKDAQWPONZOOK-UHFFFAOYSA-N -1 3 397.483 3.895 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccn2CCC(C)C)cc1-c1nn[n-]n1 ZINC000825553487 609490810 /nfs/dbraw/zinc/49/08/10/609490810.db2.gz RIKDAQWPONZOOK-UHFFFAOYSA-N -1 3 397.483 3.895 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cnc(C(C)C)s2)cc1-c1nnn[n-]1 ZINC000825553375 609490986 /nfs/dbraw/zinc/49/09/86/609490986.db2.gz PIBNNJUXPISUED-UHFFFAOYSA-N -1 3 387.469 3.627 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cnc(C(C)C)s2)cc1-c1nn[n-]n1 ZINC000825553375 609490989 /nfs/dbraw/zinc/49/09/89/609490989.db2.gz PIBNNJUXPISUED-UHFFFAOYSA-N -1 3 387.469 3.627 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826400639 609501024 /nfs/dbraw/zinc/50/10/24/609501024.db2.gz DDLBUIZWUTYVFK-SEYXRHQNSA-N -1 3 393.450 3.959 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826400639 609501026 /nfs/dbraw/zinc/50/10/26/609501026.db2.gz DDLBUIZWUTYVFK-SEYXRHQNSA-N -1 3 393.450 3.959 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825255561 609506350 /nfs/dbraw/zinc/50/63/50/609506350.db2.gz XLBICXKURQHPJF-GJZGRUSLSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825255561 609506353 /nfs/dbraw/zinc/50/63/53/609506353.db2.gz XLBICXKURQHPJF-GJZGRUSLSA-N -1 3 398.492 3.524 20 0 GHADHM COc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1Br ZINC000826189305 609524106 /nfs/dbraw/zinc/52/41/06/609524106.db2.gz SMIJKFJQPYTFGA-SNVBAGLBSA-N -1 3 389.257 3.514 20 0 GHADHM COc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1Br ZINC000826189305 609524108 /nfs/dbraw/zinc/52/41/08/609524108.db2.gz SMIJKFJQPYTFGA-SNVBAGLBSA-N -1 3 389.257 3.514 20 0 GHADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000825052125 609527669 /nfs/dbraw/zinc/52/76/69/609527669.db2.gz UVDQTWNNOQXBDE-OCCSQVGLSA-N -1 3 380.452 3.983 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826237433 609541986 /nfs/dbraw/zinc/54/19/86/609541986.db2.gz ZJGSGMDRTCOIIF-QAPCUYQASA-N -1 3 398.898 3.828 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826237433 609541989 /nfs/dbraw/zinc/54/19/89/609541989.db2.gz ZJGSGMDRTCOIIF-QAPCUYQASA-N -1 3 398.898 3.828 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824866544 609561833 /nfs/dbraw/zinc/56/18/33/609561833.db2.gz MIAYUEGDYNIPKM-NVXWUHKLSA-N -1 3 397.523 3.699 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824866544 609561835 /nfs/dbraw/zinc/56/18/35/609561835.db2.gz MIAYUEGDYNIPKM-NVXWUHKLSA-N -1 3 397.523 3.699 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826373685 609589336 /nfs/dbraw/zinc/58/93/36/609589336.db2.gz WFRVLYYTRKUFCJ-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000826373685 609589338 /nfs/dbraw/zinc/58/93/38/609589338.db2.gz WFRVLYYTRKUFCJ-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826233263 609613447 /nfs/dbraw/zinc/61/34/47/609613447.db2.gz ALLMPDSYVYWPAM-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826233263 609613448 /nfs/dbraw/zinc/61/34/48/609613448.db2.gz ALLMPDSYVYWPAM-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1 ZINC001164901870 721498542 /nfs/dbraw/zinc/49/85/42/721498542.db2.gz WSWVBGRAHMUGOM-AVGNSLFASA-N -1 3 389.899 3.995 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024887721 837530938 /nfs/dbraw/zinc/53/09/38/837530938.db2.gz WEPUUNFAOLGJSE-CQSZACIVSA-N -1 3 390.505 3.762 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)cc1 ZINC000414390201 837593355 /nfs/dbraw/zinc/59/33/55/837593355.db2.gz VWQGRIYGNKKLRF-UHFFFAOYSA-N -1 3 392.452 3.660 20 0 GHADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000613341173 837692683 /nfs/dbraw/zinc/69/26/83/837692683.db2.gz JHANEHRYTPNOSU-UHFFFAOYSA-N -1 3 398.426 3.975 20 0 GHADHM CC1(C)CC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000583505578 834520404 /nfs/dbraw/zinc/52/04/04/834520404.db2.gz KPZPJSHNGXSURX-LBPRGKRZSA-N -1 3 383.673 3.862 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2I)c(F)c1 ZINC000404967187 834545318 /nfs/dbraw/zinc/54/53/18/834545318.db2.gz JHEBXUNBQFVCOE-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1csc(-c2cccc(Cl)c2)n1 ZINC000600979516 834681703 /nfs/dbraw/zinc/68/17/03/834681703.db2.gz XBNJGUWTRZMJHN-UHFFFAOYSA-N -1 3 381.848 3.923 20 0 GHADHM CCc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c1[O-] ZINC000094106245 834724513 /nfs/dbraw/zinc/72/45/13/834724513.db2.gz OKDRUKKTTWPZPM-SFHVURJKSA-N -1 3 384.501 3.725 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1noc(-c2ccccc2)n1 ZINC000510074561 834884197 /nfs/dbraw/zinc/88/41/97/834884197.db2.gz VDZLFXPYEBNZIP-UHFFFAOYSA-N -1 3 398.271 3.663 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000115069665 834884653 /nfs/dbraw/zinc/88/46/53/834884653.db2.gz BLMMICCLRBNVJB-UHFFFAOYSA-N -1 3 388.503 3.684 20 0 GHADHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1OCc1cccnc1 ZINC000683170633 834903925 /nfs/dbraw/zinc/90/39/25/834903925.db2.gz SJFHEWRDJMLOLT-UHFFFAOYSA-N -1 3 378.428 3.657 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000683172057 834909285 /nfs/dbraw/zinc/90/92/85/834909285.db2.gz UXWXDHQOIDTPIX-OAHLLOKOSA-N -1 3 381.375 3.611 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)ccc1OC ZINC000683175593 834923366 /nfs/dbraw/zinc/92/33/66/834923366.db2.gz XZDXNIYICHQPTD-KRWDZBQOSA-N -1 3 394.265 3.772 20 0 GHADHM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(Br)c1 ZINC000683175309 834929297 /nfs/dbraw/zinc/92/92/97/834929297.db2.gz UIJYMFSNOGDMHA-MRXNPFEDSA-N -1 3 386.249 3.755 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128969462 834936933 /nfs/dbraw/zinc/93/69/33/834936933.db2.gz BKMIIZNUDFSSRG-GTNSWQLSSA-N -1 3 378.831 3.968 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389117 834971823 /nfs/dbraw/zinc/97/18/23/834971823.db2.gz LJYACJRQKGIEIY-UHFFFAOYSA-N -1 3 387.774 3.782 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389117 834971827 /nfs/dbraw/zinc/97/18/27/834971827.db2.gz LJYACJRQKGIEIY-UHFFFAOYSA-N -1 3 387.774 3.782 20 0 GHADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCCCC1 ZINC000518751300 834972732 /nfs/dbraw/zinc/97/27/32/834972732.db2.gz OAEXOJDVRKDEAY-UHFFFAOYSA-N -1 3 394.320 3.679 20 0 GHADHM Cc1c(Br)ccc(F)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000828208789 834994243 /nfs/dbraw/zinc/99/42/43/834994243.db2.gz CZHASOLTSCJAGE-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)sc1Cl ZINC000583770543 835005515 /nfs/dbraw/zinc/00/55/15/835005515.db2.gz IMMBALLWFVYXBD-LBPRGKRZSA-N -1 3 380.318 3.765 20 0 GHADHM O=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cc([O-])ccc1Cl ZINC000890577293 835059710 /nfs/dbraw/zinc/05/97/10/835059710.db2.gz NTEFMRGSSAJSOR-UHFFFAOYSA-N -1 3 399.796 3.801 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ncccc2C(F)(F)F)[n-]c1-c1ccccc1 ZINC000431592118 835064835 /nfs/dbraw/zinc/06/48/35/835064835.db2.gz LFNMNINLVRLMHG-UHFFFAOYSA-N -1 3 381.379 3.773 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ncccc2C(F)(F)F)nc1-c1ccccc1 ZINC000431592118 835064839 /nfs/dbraw/zinc/06/48/39/835064839.db2.gz LFNMNINLVRLMHG-UHFFFAOYSA-N -1 3 381.379 3.773 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000536140909 835112012 /nfs/dbraw/zinc/11/20/12/835112012.db2.gz HWZOGPXFZBGUQM-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c2ccccc2n1 ZINC000685537545 835131482 /nfs/dbraw/zinc/13/14/82/835131482.db2.gz KQLHCEPYWHQTDI-UHFFFAOYSA-N -1 3 386.249 3.755 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000024259085 835275728 /nfs/dbraw/zinc/27/57/28/835275728.db2.gz LSAFACWKUHOFHI-UHFFFAOYSA-N -1 3 396.715 3.651 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000647369316 835468231 /nfs/dbraw/zinc/46/82/31/835468231.db2.gz BUEAHRGBVOFORU-ZMYBRWDISA-N -1 3 384.501 3.536 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1CC1CCCC1 ZINC000655364882 835648206 /nfs/dbraw/zinc/64/82/06/835648206.db2.gz UKODLHAIUHKPFE-IBGZPJMESA-N -1 3 394.519 3.644 20 0 GHADHM O=C(Cc1coc(-c2cccs2)n1)NCc1ccc([O-])c(Br)c1 ZINC000151610273 835651049 /nfs/dbraw/zinc/65/10/49/835651049.db2.gz UYCRWWLUHGZDGB-UHFFFAOYSA-N -1 3 393.262 3.730 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)nc2ccccc12 ZINC000547714466 835664738 /nfs/dbraw/zinc/66/47/38/835664738.db2.gz DAPYLNKIPWWDJY-UHFFFAOYSA-N -1 3 399.369 3.575 20 0 GHADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)nn1-c1ccccc1 ZINC000151639584 835672197 /nfs/dbraw/zinc/67/21/97/835672197.db2.gz VGMXMDBXIKRSJL-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM Cn1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc(Cl)c1=O ZINC000471198170 835730553 /nfs/dbraw/zinc/73/05/53/835730553.db2.gz GDTMIAAUNMWSRI-UHFFFAOYSA-N -1 3 383.256 3.646 20 0 GHADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1 ZINC000179777113 835804496 /nfs/dbraw/zinc/80/44/96/835804496.db2.gz FEHPJDYAEVQAHF-FNORWQNLSA-N -1 3 396.407 3.582 20 0 GHADHM CCc1cc2c(CSc3nnc(N4CCCC4)s3)cc(=O)oc2cc1[O-] ZINC000052912032 835806932 /nfs/dbraw/zinc/80/69/32/835806932.db2.gz BWIWJBSNHYWKRD-UHFFFAOYSA-N -1 3 389.502 3.805 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000109331716 835829610 /nfs/dbraw/zinc/82/96/10/835829610.db2.gz LMJXVQNCBSKHDB-UHFFFAOYSA-N -1 3 388.468 3.796 20 0 GHADHM O=C(NC[C@H]1CCCCC1(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584392575 835970708 /nfs/dbraw/zinc/97/07/08/835970708.db2.gz FCUQVRKEDZRSHB-SNVBAGLBSA-N -1 3 399.235 3.846 20 0 GHADHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1F ZINC000513025829 844111654 /nfs/dbraw/zinc/11/16/54/844111654.db2.gz KURNOVSUTQSJAB-GUYCJALGSA-N -1 3 383.872 3.925 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000512539595 844113542 /nfs/dbraw/zinc/11/35/42/844113542.db2.gz FSFGYERPXWPQTG-MRXNPFEDSA-N -1 3 377.444 3.724 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)cc3)cc(Cl)c2O1 ZINC000605578726 836037497 /nfs/dbraw/zinc/03/74/97/836037497.db2.gz ZHZJVDRDWXQZNE-LBPRGKRZSA-N -1 3 389.864 3.650 20 0 GHADHM C[C@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@@H]1c1ccccc1 ZINC000429970022 844122131 /nfs/dbraw/zinc/12/21/31/844122131.db2.gz AZKXSDMXIWXATL-SJCJKPOMSA-N -1 3 385.265 3.744 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCO[C@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000548480537 844129343 /nfs/dbraw/zinc/12/93/43/844129343.db2.gz VVGPBXBYSMGELR-MJGOQNOKSA-N -1 3 384.480 3.873 20 0 GHADHM CCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccccc1Cl ZINC000569986973 836239558 /nfs/dbraw/zinc/23/95/58/836239558.db2.gz LQWGKVKWRDBFDS-UHFFFAOYSA-N -1 3 383.839 3.713 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000509898723 844151236 /nfs/dbraw/zinc/15/12/36/844151236.db2.gz MLZKDFSMCCXLTP-FQEVSTJZSA-N -1 3 390.443 3.763 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)O[N-]C(=O)Cc1ccc(C)cc1 ZINC000178158747 836435148 /nfs/dbraw/zinc/43/51/48/836435148.db2.gz PEISMGJYQFVPFL-AWEZNQCLSA-N -1 3 390.867 3.583 20 0 GHADHM COc1ccc(CC(=O)[N-]O[C@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000748097404 836525169 /nfs/dbraw/zinc/52/51/69/836525169.db2.gz KNYGDBXQWWNNJD-CQSZACIVSA-N -1 3 382.416 3.710 20 0 GHADHM O=S(=O)(CCCF)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000513060861 844193938 /nfs/dbraw/zinc/19/39/38/844193938.db2.gz CFGSNXSHUHTBOG-UHFFFAOYSA-N -1 3 387.521 3.946 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)c1 ZINC000430378024 836879749 /nfs/dbraw/zinc/87/97/49/836879749.db2.gz QQVRNQFLDMCMQU-UHFFFAOYSA-N -1 3 397.880 3.872 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)c(C)o1 ZINC000175822964 837028190 /nfs/dbraw/zinc/02/81/90/837028190.db2.gz VOTBUBREWTWDSN-NSHDSACASA-N -1 3 396.896 3.515 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)nc21 ZINC001266467384 837096597 /nfs/dbraw/zinc/09/65/97/837096597.db2.gz PYDCABBQMTWCFJ-HNNXBMFYSA-N -1 3 385.807 3.603 20 0 GHADHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000782793497 837205674 /nfs/dbraw/zinc/20/56/74/837205674.db2.gz RVUMVFUKQZXKGD-SJKOYZFVSA-N -1 3 375.371 3.579 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCCOCc2ccccc2)cnn1-c1cccc(C)c1 ZINC000655585732 837207919 /nfs/dbraw/zinc/20/79/19/837207919.db2.gz DFJQEBATDADCHF-UHFFFAOYSA-N -1 3 399.516 3.838 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000613174870 837362473 /nfs/dbraw/zinc/36/24/73/837362473.db2.gz ZQCWXZFIBRKKNP-UHFFFAOYSA-N -1 3 393.512 3.752 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020502050 837902913 /nfs/dbraw/zinc/90/29/13/837902913.db2.gz CNHPZQSYHPDYBX-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020502050 837902927 /nfs/dbraw/zinc/90/29/27/837902927.db2.gz CNHPZQSYHPDYBX-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM COc1cc(CN2CCC[C@@H](C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC000003749347 838040531 /nfs/dbraw/zinc/04/05/31/838040531.db2.gz DTKVPNFJLUPZKX-GOSISDBHSA-N -1 3 385.460 3.579 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000893112987 838141571 /nfs/dbraw/zinc/14/15/71/838141571.db2.gz GAMXKZBEIRQNCA-UHFFFAOYSA-N -1 3 390.842 3.989 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC2(C1)CCCC2 ZINC000547989975 838287128 /nfs/dbraw/zinc/28/71/28/838287128.db2.gz KJKLUNQCWIOIKK-FQEVSTJZSA-N -1 3 378.472 3.656 20 0 GHADHM O=C(NCc1ncccc1[O-])NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000471483271 838435253 /nfs/dbraw/zinc/43/52/53/838435253.db2.gz AWQJBKYNMKJZEP-GOSISDBHSA-N -1 3 386.455 3.900 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1scc(C)c1I ZINC000188712505 838445750 /nfs/dbraw/zinc/44/57/50/838445750.db2.gz QDHIMJAEQNNSBD-UHFFFAOYSA-N -1 3 376.219 3.772 20 0 GHADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000458113051 844330839 /nfs/dbraw/zinc/33/08/39/844330839.db2.gz LDBJNYWMOJGDHD-TVQRCGJNSA-N -1 3 383.673 3.718 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000613594691 838545039 /nfs/dbraw/zinc/54/50/39/838545039.db2.gz HGOPJYHKPJRLIU-KBPBESRZSA-N -1 3 393.484 3.605 20 0 GHADHM O=C(CNCC(F)(F)F)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179936956 838556601 /nfs/dbraw/zinc/55/66/01/838556601.db2.gz YINPANOFIBIQEJ-UHFFFAOYSA-N -1 3 381.379 3.759 20 0 GHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1occ2c1CCOC2 ZINC000376668499 838616345 /nfs/dbraw/zinc/61/63/45/838616345.db2.gz ZHTMTIGYWASZOC-UHFFFAOYSA-N -1 3 379.488 3.810 20 0 GHADHM CCn1cc(C2CCN([C@H](C(=O)[O-])c3ccccc3Br)CC2)cn1 ZINC000659786929 838668907 /nfs/dbraw/zinc/66/89/07/838668907.db2.gz QFUAQHUBASYXGD-KRWDZBQOSA-N -1 3 392.297 3.671 20 0 GHADHM CC[C@@H](CC(F)F)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000659790065 838670643 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390.439 3.901 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1cccc(F)c1 ZINC000183143959 838909595 /nfs/dbraw/zinc/90/95/95/838909595.db2.gz WUYYUKWABAYMEA-NRFANRHFSA-N -1 3 392.430 3.709 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CC=CCC1 ZINC000183472116 838999535 /nfs/dbraw/zinc/99/95/35/838999535.db2.gz ZSKCIMWNVLVNPS-DYESRHJHSA-N -1 3 378.472 3.726 20 0 GHADHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C1CC1)C1CC1 ZINC000183528636 839002572 /nfs/dbraw/zinc/00/25/72/839002572.db2.gz JVAPUTGUVHPBQN-OAQYLSRUSA-N -1 3 392.499 3.900 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c(F)c1F ZINC001211733308 844395186 /nfs/dbraw/zinc/39/51/86/844395186.db2.gz APHMEHMYWFTEDD-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM COC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(C)o1 ZINC000472683183 839120319 /nfs/dbraw/zinc/12/03/19/839120319.db2.gz GBLODURNPUGPMY-QGZVFWFLSA-N -1 3 382.420 3.568 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c(=O)[n-]1 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NDSSOQYLWSDGDQ-ZDUSSCGKSA-N -1 3 377.384 3.581 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000047031886 840131332 /nfs/dbraw/zinc/13/13/32/840131332.db2.gz HSIOBOSAAWLRMD-AWEZNQCLSA-N -1 3 389.304 3.702 20 0 GHADHM Cc1ccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000022312749 840153812 /nfs/dbraw/zinc/15/38/12/840153812.db2.gz JUWKUFALKMLKIA-UHFFFAOYSA-N -1 3 378.457 3.588 20 0 GHADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000193822194 840189004 /nfs/dbraw/zinc/18/90/04/840189004.db2.gz QNSYCUDCLZKENB-UHFFFAOYSA-N -1 3 396.730 3.790 20 0 GHADHM CCCCOCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000728763228 840218731 /nfs/dbraw/zinc/21/87/31/840218731.db2.gz QINIYYBPSOBSSF-UHFFFAOYSA-N -1 3 395.452 3.600 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020499230 840351447 /nfs/dbraw/zinc/35/14/47/840351447.db2.gz SCZDUEUGJWRJFX-OAHLLOKOSA-N -1 3 385.427 3.940 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020499230 840351462 /nfs/dbraw/zinc/35/14/62/840351462.db2.gz SCZDUEUGJWRJFX-OAHLLOKOSA-N -1 3 385.427 3.940 20 0 GHADHM Cc1ncsc1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500421359 840446670 /nfs/dbraw/zinc/44/66/70/840446670.db2.gz MRIHHSCTNPVEPR-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500418570 840452702 /nfs/dbraw/zinc/45/27/02/840452702.db2.gz CFTSQHIUMKJLFD-RISCZKNCSA-N -1 3 386.926 3.699 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3C[C@H](C)CC(C)(C)C3)nc(=O)c2c1C ZINC000544117217 840519201 /nfs/dbraw/zinc/51/92/01/840519201.db2.gz OCNCMOXNWLEHRC-DGCLKSJQSA-N -1 3 391.537 3.899 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000660162236 840538724 /nfs/dbraw/zinc/53/87/24/840538724.db2.gz LXEYBMVHPCYJSV-BONVTDFDSA-N -1 3 393.814 3.759 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)ccc2N1 ZINC000121263805 840582521 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COCC[C@@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000417587321 841035093 /nfs/dbraw/zinc/03/50/93/841035093.db2.gz DJOHZCNESWFUPC-GFCCVEGCSA-N -1 3 375.277 3.696 20 0 GHADHM O=c1c2c([n-]n1-c1ncc(Cl)cc1Cl)CCN(Cc1ccccc1)C2 ZINC000656471781 841069733 /nfs/dbraw/zinc/06/97/33/841069733.db2.gz DZEJCFQGNRYVPA-AWEZNQCLSA-N -1 3 375.259 3.613 20 0 GHADHM CC(C)(C)c1cnc(CNC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])s1 ZINC000417635322 841075380 /nfs/dbraw/zinc/07/53/80/841075380.db2.gz JZQHYQWJORXKFD-LLVKDONJSA-N -1 3 386.439 3.891 20 0 GHADHM O=C([O-])[C@H]1C[C@H](NCc2cc(Br)cc3c2OCC3)c2ccccc21 ZINC000417627577 841079261 /nfs/dbraw/zinc/07/92/61/841079261.db2.gz OLMIMYAAYYKPRS-IRXDYDNUSA-N -1 3 388.261 3.787 20 0 GHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2c1C ZINC000473509068 844605026 /nfs/dbraw/zinc/60/50/26/844605026.db2.gz ZWPQWLBJRFTMGP-UHFFFAOYSA-N -1 3 395.383 3.997 20 0 GHADHM O=C([N-]NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1F ZINC000026971716 841115800 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O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000621939078 841355221 /nfs/dbraw/zinc/35/52/21/841355221.db2.gz WODHINHYFPFTNU-GOSISDBHSA-N -1 3 399.796 3.884 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000364225081 841446298 /nfs/dbraw/zinc/44/62/98/841446298.db2.gz FNJHPYODVVCAAI-UHFFFAOYSA-N -1 3 382.410 3.901 20 0 GHADHM O=S(=O)([N-]CCCOCC1CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500435250 841459278 /nfs/dbraw/zinc/45/92/78/841459278.db2.gz VOSUMEQJBPRHKQ-UHFFFAOYSA-N -1 3 386.926 3.559 20 0 GHADHM Cc1cc(Br)c(Cl)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000656575769 841470667 /nfs/dbraw/zinc/47/06/67/841470667.db2.gz KFDRCJPXIRVJSW-QMMMGPOBSA-N -1 3 385.567 3.788 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1)C1CCCCC1 ZINC000656615911 841565763 /nfs/dbraw/zinc/56/57/63/841565763.db2.gz GWWZFVAUYSRCCE-VQTJNVASSA-N -1 3 397.537 3.581 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1OC ZINC000143969283 841568094 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GHADHM Cc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1O ZINC000184237112 842204682 /nfs/dbraw/zinc/20/46/82/842204682.db2.gz XCCLBILWNHBQJY-FQEVSTJZSA-N -1 3 390.439 3.906 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)no3)ccc2C)cc1 ZINC000130347113 842251007 /nfs/dbraw/zinc/25/10/07/842251007.db2.gz ARCMVOYMTWSHQF-UHFFFAOYSA-N -1 3 387.461 3.978 20 0 GHADHM CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000040494505 842318863 /nfs/dbraw/zinc/31/88/63/842318863.db2.gz HLZWLQSSWDLBSC-UHFFFAOYSA-N -1 3 385.121 3.536 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000730810850 861298804 /nfs/dbraw/zinc/29/88/04/861298804.db2.gz DZWLSGBAHDGHQS-UHFFFAOYSA-N -1 3 394.306 3.701 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3C3CCCCC3)nc(=O)c2c1C ZINC000603896668 861312029 /nfs/dbraw/zinc/31/20/29/861312029.db2.gz ZUQRHEJCXHFDBV-AWEZNQCLSA-N -1 3 389.521 3.624 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(Cc2ccccc2)n1 ZINC000581903506 842565433 /nfs/dbraw/zinc/56/54/33/842565433.db2.gz 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ZINC000581973333 842857797 /nfs/dbraw/zinc/85/77/97/842857797.db2.gz IRVGQUAMFLKGOY-UHFFFAOYSA-N -1 3 387.180 3.763 20 0 GHADHM Cc1ccc(-c2ccc(CN(C(C)C)[C@@H]3CCN(CC(=O)[O-])C3=O)s2)cc1 ZINC000662203280 842882556 /nfs/dbraw/zinc/88/25/56/842882556.db2.gz PZFRJTKZYIESTG-GOSISDBHSA-N -1 3 386.517 3.619 20 0 GHADHM CCOc1cc(C=NNC(=O)c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000254512620 842939008 /nfs/dbraw/zinc/93/90/08/842939008.db2.gz BUNYQPZONMGZHD-UHFFFAOYSA-N -1 3 397.656 3.971 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662212467 842942579 /nfs/dbraw/zinc/94/25/79/842942579.db2.gz AJSCHMBIUDSKHH-MWLCHTKSSA-N -1 3 396.203 3.828 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000730938175 861361788 /nfs/dbraw/zinc/36/17/88/861361788.db2.gz XKKUNGTVOGFOEQ-LJQANCHMSA-N -1 3 399.466 3.619 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC(c4ccccc4)CC3)c(=O)c2c(OC)c1 ZINC000623687555 861364515 /nfs/dbraw/zinc/36/45/15/861364515.db2.gz FRZXFSUFHWFXDR-UHFFFAOYSA-N -1 3 392.455 3.565 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)cc1 ZINC000471872018 843082570 /nfs/dbraw/zinc/08/25/70/843082570.db2.gz RWUHVEODXOOSFL-CYBMUJFWSA-N -1 3 389.452 3.619 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1nc(C2CCCCC2)no1 ZINC000189679458 843095777 /nfs/dbraw/zinc/09/57/77/843095777.db2.gz IHFXEUPDSJPXKM-NSHDSACASA-N -1 3 392.456 3.777 20 0 GHADHM Cc1ccc(SC[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000186695445 843154017 /nfs/dbraw/zinc/15/40/17/843154017.db2.gz AGXFAAATNOIRML-APWZRJJASA-N -1 3 398.528 3.602 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000279604199 843158278 /nfs/dbraw/zinc/15/82/78/843158278.db2.gz WBXJODBAOXSOLC-UHFFFAOYSA-N -1 3 391.265 3.577 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cn2ccnc2s1 ZINC000188591155 843176437 /nfs/dbraw/zinc/17/64/37/843176437.db2.gz CNCKSMWUAYJMPT-UHFFFAOYSA-N -1 3 375.866 3.744 20 0 GHADHM CC(C)c1ccc([C@@H](CN=c2ncnc3[nH][n-]cc2-3)NC(=O)OC(C)(C)C)cc1 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3.774 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCC2)n1 ZINC000673696912 861435430 /nfs/dbraw/zinc/43/54/30/861435430.db2.gz IPFVAPYBJZBOHD-UHFFFAOYSA-N -1 3 394.415 3.967 20 0 GHADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429816741 843641346 /nfs/dbraw/zinc/64/13/46/843641346.db2.gz HBMKAJCJROJGGR-NSHDSACASA-N -1 3 384.723 3.586 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(Cl)c1 ZINC000471932944 843666653 /nfs/dbraw/zinc/66/66/53/843666653.db2.gz YPAKYPHBYFQPGA-UHFFFAOYSA-N -1 3 381.816 3.720 20 0 GHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000471941605 843739967 /nfs/dbraw/zinc/73/99/67/843739967.db2.gz CQRQIGGPSMJNSX-UHFFFAOYSA-N -1 3 399.415 3.648 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1C(C)C ZINC000432766686 843744821 /nfs/dbraw/zinc/74/48/21/843744821.db2.gz DSCGMHFRZZNHRI-UHFFFAOYSA-N -1 3 390.505 3.630 20 0 GHADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccn1 ZINC000500655955 843787138 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CNNZIGGAVHYYEB-IBGZPJMESA-N -1 3 395.459 3.740 20 0 GHADHM COc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c(OCc2ccccc2)c1 ZINC000439877027 850532378 /nfs/dbraw/zinc/53/23/78/850532378.db2.gz RMHCHLUUYKYFKE-UHFFFAOYSA-N -1 3 393.443 3.568 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)C)cc1Cl ZINC000519151716 850697626 /nfs/dbraw/zinc/69/76/26/850697626.db2.gz BTMBGFLJTSVOHG-WFASDCNBSA-N -1 3 390.908 3.931 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1F)c1ccc(Cl)cc1F ZINC000732227801 862158941 /nfs/dbraw/zinc/15/89/41/862158941.db2.gz IJTPMTIBTLOSMR-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000487568155 850733262 /nfs/dbraw/zinc/73/32/62/850733262.db2.gz QOSXQYIKADAQQT-OAHLLOKOSA-N -1 3 386.373 3.793 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccccc1OCc1cscn1 ZINC000435670992 850757674 /nfs/dbraw/zinc/75/76/74/850757674.db2.gz BJGMXRFTNAJHKK-UHFFFAOYSA-N -1 3 376.441 3.786 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000440272396 850992904 /nfs/dbraw/zinc/99/29/04/850992904.db2.gz BYSBVTCXPKAYTF-UHFFFAOYSA-N -1 3 377.462 3.527 20 0 GHADHM O=C([O-])[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000910098923 850998190 /nfs/dbraw/zinc/99/81/90/850998190.db2.gz CFVLZXYZLGNRNM-DEOSSOPVSA-N -1 3 392.499 3.585 20 0 GHADHM COc1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc(OC)c1[O-] ZINC000513955363 851057843 /nfs/dbraw/zinc/05/78/43/851057843.db2.gz AZOJWYBVNGNRNU-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC(c2ccccc2Br)CC1 ZINC000440344828 851068099 /nfs/dbraw/zinc/06/80/99/851068099.db2.gz XOSZGFREJREMPJ-UHFFFAOYSA-N -1 3 376.250 3.880 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000910208703 851070848 /nfs/dbraw/zinc/07/08/48/851070848.db2.gz YMKFTOXVMFWTCN-UHFFFAOYSA-N -1 3 396.418 3.530 20 0 GHADHM CC1(C)CN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000910288323 851108140 /nfs/dbraw/zinc/10/81/40/851108140.db2.gz OZSXSCMODNZRHN-UHFFFAOYSA-N -1 3 393.409 3.899 20 0 GHADHM O=C(NCC1(c2ccccc2Br)CC1)c1c[n-]c2ccccc2c1=O ZINC000151274187 851145256 /nfs/dbraw/zinc/14/52/56/851145256.db2.gz YFKQXNBRELLGKJ-UHFFFAOYSA-N -1 3 397.272 3.752 20 0 GHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CC1 ZINC000729440933 851198493 /nfs/dbraw/zinc/19/84/93/851198493.db2.gz UOPQKMVHBBZEQZ-KGLIPLIRSA-N -1 3 384.517 3.552 20 0 GHADHM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ncccc1[O-] ZINC000473628571 851299096 /nfs/dbraw/zinc/29/90/96/851299096.db2.gz FKTZDQAUHRVNAA-UHFFFAOYSA-N -1 3 384.439 3.878 20 0 GHADHM Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4ncccc4[O-])cc3)o2)c1 ZINC000473629955 851306034 /nfs/dbraw/zinc/30/60/34/851306034.db2.gz PQCNQIQQUKDBKM-UHFFFAOYSA-N -1 3 386.411 3.743 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000550051513 851308294 /nfs/dbraw/zinc/30/82/94/851308294.db2.gz WZUMQJQKEGQTRU-INIZCTEOSA-N -1 3 376.865 3.508 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccccc1SCc1cn2ccccc2n1 ZINC000473643272 851358693 /nfs/dbraw/zinc/35/86/93/851358693.db2.gz RTTXDRKTVSQYBO-UHFFFAOYSA-N -1 3 390.468 3.657 20 0 GHADHM COc1ccc(C(=O)CCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(Cl)c1 ZINC000505779246 851365879 /nfs/dbraw/zinc/36/58/79/851365879.db2.gz WCEFFDABBMQQMF-UHFFFAOYSA-N -1 3 383.835 3.762 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Br ZINC000488354965 851422444 /nfs/dbraw/zinc/42/24/44/851422444.db2.gz QTDUXWVSLUTOHX-UHFFFAOYSA-N -1 3 386.267 3.657 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])N(C)C)cc1 ZINC000911238194 851636542 /nfs/dbraw/zinc/63/65/42/851636542.db2.gz MRMBNYZMZRFZEY-CRAIPNDOSA-N -1 3 386.517 3.593 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)c(C)c(OC)c3)c2)n1 ZINC000049304405 851648221 /nfs/dbraw/zinc/64/82/21/851648221.db2.gz FUFOGQROFDVBIZ-UHFFFAOYSA-N -1 3 393.443 3.577 20 0 GHADHM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000911294862 851670662 /nfs/dbraw/zinc/67/06/62/851670662.db2.gz XGKXNOYCJJDZAF-LSDHHAIUSA-N -1 3 399.318 3.529 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)cc1 ZINC000488678401 851702185 /nfs/dbraw/zinc/70/21/85/851702185.db2.gz VECHCPGLJSASSX-UHFFFAOYSA-N -1 3 385.055 3.847 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(C(F)(F)F)ccc1F ZINC000488702061 851713896 /nfs/dbraw/zinc/71/38/96/851713896.db2.gz ZRQTVLBTDDGOKA-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000911431436 851729071 /nfs/dbraw/zinc/72/90/71/851729071.db2.gz UXLJZSZNVKNHIO-BXWFABGCSA-N -1 3 398.528 3.502 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H](c3cccnc3)C2)s1 ZINC000911478869 851764593 /nfs/dbraw/zinc/76/45/93/851764593.db2.gz QYVBPWSAZCOJJQ-AWEZNQCLSA-N -1 3 388.493 3.905 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000488864980 851824463 /nfs/dbraw/zinc/82/44/63/851824463.db2.gz JVYRVJPJOWYHEW-HXUWFJFHSA-N -1 3 382.435 3.891 20 0 GHADHM O=C(COc1ccc(Br)cc1Cl)NCc1ccc([O-])c(F)c1 ZINC000132859377 862298342 /nfs/dbraw/zinc/29/83/42/862298342.db2.gz LVQPPPOEENWWOE-UHFFFAOYSA-N -1 3 388.620 3.642 20 0 GHADHM Cc1cn2c(n1)[C@H](CNC(=O)c1cc(CCc3ccccc3)ccc1[O-])CCC2 ZINC000436509729 851996781 /nfs/dbraw/zinc/99/67/81/851996781.db2.gz FYNZDODDSNRRIR-FQEVSTJZSA-N -1 3 389.499 3.990 20 0 GHADHM CC(C)(C)c1ccc(CCCCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436511195 851999212 /nfs/dbraw/zinc/99/92/12/851999212.db2.gz HYOGVQBVKGVGKT-UHFFFAOYSA-N -1 3 396.531 3.949 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC)c2)cc1 ZINC000555973569 862309386 /nfs/dbraw/zinc/30/93/86/862309386.db2.gz CTGBWQBETWAWKI-UHFFFAOYSA-N -1 3 379.478 3.610 20 0 GHADHM O=C(NC1CCN(c2ccccn2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436527823 852017361 /nfs/dbraw/zinc/01/73/61/852017361.db2.gz MDAUYRZPGYTBBL-UHFFFAOYSA-N -1 3 389.455 3.978 20 0 GHADHM C[S@](=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436554556 852042765 /nfs/dbraw/zinc/04/27/65/852042765.db2.gz JXQIALCNPYHRKP-MHZLTWQESA-N -1 3 381.453 3.961 20 0 GHADHM COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436557640 852046340 /nfs/dbraw/zinc/04/63/40/852046340.db2.gz XLASMGXVUQNSRC-FQEVSTJZSA-N -1 3 393.483 3.593 20 0 GHADHM O[C@H](COCc1ccco1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000058007417 862317167 /nfs/dbraw/zinc/31/71/67/862317167.db2.gz BVNAUXOJRKVGEJ-LLVKDONJSA-N -1 3 381.454 3.684 20 0 GHADHM COCCOc1ccccc1N1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436588452 852096572 /nfs/dbraw/zinc/09/65/72/852096572.db2.gz MSBICDRHLBYVHZ-UHFFFAOYSA-N -1 3 398.503 3.503 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(Cc2ccco2)CC1 ZINC000436599102 852100044 /nfs/dbraw/zinc/10/00/44/852100044.db2.gz WRRBFCNHABFESN-UHFFFAOYSA-N -1 3 390.483 3.728 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000436611467 852111591 /nfs/dbraw/zinc/11/15/91/852111591.db2.gz WJPHJZLVODBGDI-UHFFFAOYSA-N -1 3 395.286 3.536 20 0 GHADHM CC[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436626513 852121216 /nfs/dbraw/zinc/12/12/16/852121216.db2.gz JRENFDKBKZDJSB-HNNXBMFYSA-N -1 3 387.505 3.743 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCC(C)C)cs2)c1 ZINC000436636829 852131154 /nfs/dbraw/zinc/13/11/54/852131154.db2.gz UCYLZPZYOVQIIF-UHFFFAOYSA-N -1 3 375.494 3.504 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)Cc2ccccc2)c([O-])c1 ZINC000436637171 852132837 /nfs/dbraw/zinc/13/28/37/852132837.db2.gz ZHQSFNBGQISWDE-UHFFFAOYSA-N -1 3 392.455 3.643 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@@H]1c1cccc(Cl)c1 ZINC000604601049 862327465 /nfs/dbraw/zinc/32/74/65/862327465.db2.gz CUUDVBDXACRNOE-GUYCJALGSA-N -1 3 379.243 3.857 20 0 GHADHM O=C(CC1(CCc2ccccc2)CCCC1)NCCNC(=O)c1ccc([O-])cc1 ZINC000436678472 852186956 /nfs/dbraw/zinc/18/69/56/852186956.db2.gz CANZFPJOSBEAJY-UHFFFAOYSA-N -1 3 394.515 3.822 20 0 GHADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)o1 ZINC000112279557 852197363 /nfs/dbraw/zinc/19/73/63/852197363.db2.gz BQUMYCSTOPIDGS-UHFFFAOYSA-N -1 3 379.239 3.801 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccccc3OCC(C)C)no2)c([O-])c1 ZINC000436690241 852201297 /nfs/dbraw/zinc/20/12/97/852201297.db2.gz PHFSKOJHLYHMDA-UHFFFAOYSA-N -1 3 395.459 3.758 20 0 GHADHM COc1cc(-c2nc(-c3cccnc3OC3CCCC3)no2)cc(OC)c1[O-] ZINC000436692000 852201403 /nfs/dbraw/zinc/20/14/03/852201403.db2.gz VPTRITCANCJFJT-UHFFFAOYSA-N -1 3 383.404 3.843 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000436697762 852212087 /nfs/dbraw/zinc/21/20/87/852212087.db2.gz NIHYZGLKAAGGHB-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM C[S@](=O)Cc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436714824 852237163 /nfs/dbraw/zinc/23/71/63/852237163.db2.gz VGZPRDOSFFQJNJ-NDEPHWFRSA-N -1 3 393.508 3.792 20 0 GHADHM Cn1c(=O)oc2cc(NC(=O)c3cc(CCc4ccccc4)ccc3[O-])ccc21 ZINC000436724963 852250871 /nfs/dbraw/zinc/25/08/71/852250871.db2.gz TVJKAPPPMHWTIJ-UHFFFAOYSA-N -1 3 388.423 3.875 20 0 GHADHM CCc1ccc2occ(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000436724494 852251780 /nfs/dbraw/zinc/25/17/80/852251780.db2.gz SJXGDZNDTDGLGU-UHFFFAOYSA-N -1 3 392.455 3.735 20 0 GHADHM Cc1nc(CCCNCc2cc(F)ccc2Br)sc1C(=O)[O-] ZINC000426700959 852284103 /nfs/dbraw/zinc/28/41/03/852284103.db2.gz WMWSHHOMLZMSQD-UHFFFAOYSA-N -1 3 387.274 3.774 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000426732617 852328173 /nfs/dbraw/zinc/32/81/73/852328173.db2.gz JBVKLMDJEKFAIB-RBUKOAKNSA-N -1 3 375.852 3.813 20 0 GHADHM Cc1cc(CN(CC(C)C)C(=O)c2ccccc2[O-])nc(N2CCCCC2)n1 ZINC000436805875 852364914 /nfs/dbraw/zinc/36/49/14/852364914.db2.gz FZKHMBTZLOKTOL-UHFFFAOYSA-N -1 3 382.508 3.779 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c([O-])c1 ZINC000436805588 852365177 /nfs/dbraw/zinc/36/51/77/852365177.db2.gz XWYVRSDFCNXAEZ-UHFFFAOYSA-N -1 3 377.444 3.592 20 0 GHADHM COC(=O)c1ccc2nc(-c3cc(Br)c([O-])c(OC)c3)n(C)c2c1 ZINC000436813102 852372812 /nfs/dbraw/zinc/37/28/12/852372812.db2.gz CUVPXLJAYWXOAB-UHFFFAOYSA-N -1 3 391.221 3.504 20 0 GHADHM Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cccc1-c1ncco1 ZINC000436828664 852378046 /nfs/dbraw/zinc/37/80/46/852378046.db2.gz ZHHVCYPROIKVKG-SFHVURJKSA-N -1 3 391.427 3.599 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1 ZINC000436833980 852383637 /nfs/dbraw/zinc/38/36/37/852383637.db2.gz KUNDRTMSCOOXSB-IBGZPJMESA-N -1 3 394.471 3.523 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000436837766 852388259 /nfs/dbraw/zinc/38/82/59/852388259.db2.gz HPHDKNVBHKWAPR-IBGZPJMESA-N -1 3 384.520 3.960 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)c([O-])c1 ZINC000436821600 852390965 /nfs/dbraw/zinc/39/09/65/852390965.db2.gz PQYVDKNDFJUGMO-UHFFFAOYSA-N -1 3 387.461 3.955 20 0 GHADHM CSc1c(F)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000436824944 852393594 /nfs/dbraw/zinc/39/35/94/852393594.db2.gz JIAADEIDMZIJFJ-OAHLLOKOSA-N -1 3 392.427 3.636 20 0 GHADHM C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000436856090 852400690 /nfs/dbraw/zinc/40/06/90/852400690.db2.gz RCJCXOFLPSMQSQ-PIGZYNQJSA-N -1 3 381.350 3.719 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000426797633 852407656 /nfs/dbraw/zinc/40/76/56/852407656.db2.gz BOYKKAHOEHASCC-MRXNPFEDSA-N -1 3 379.840 3.671 20 0 GHADHM COc1ccc([C@@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])cc1F ZINC000426799488 852409807 /nfs/dbraw/zinc/40/98/07/852409807.db2.gz LDAFENWWTLGCLK-MRXNPFEDSA-N -1 3 387.329 3.691 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1OCc1cccnc1 ZINC000426801545 852412097 /nfs/dbraw/zinc/41/20/97/852412097.db2.gz RSVXPYDLNWIUJU-OAQYLSRUSA-N -1 3 396.418 3.724 20 0 GHADHM CC[C@H](Sc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436851166 852417101 /nfs/dbraw/zinc/41/71/01/852417101.db2.gz KEMINQSXNLTGEL-FQEVSTJZSA-N -1 3 398.528 3.684 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc2c1OCCO2 ZINC000426824567 852437994 /nfs/dbraw/zinc/43/79/94/852437994.db2.gz NDERKWPNYOMJJA-SFHVURJKSA-N -1 3 385.460 3.895 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(OC[C@H]4CCCO4)c(OC)c3)no2)c1[O-] ZINC000436902940 852467938 /nfs/dbraw/zinc/46/79/38/852467938.db2.gz RWKDDUWSSGXJNR-CQSZACIVSA-N -1 3 398.415 3.684 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cc(OC)c1[O-] ZINC000436907102 852472475 /nfs/dbraw/zinc/47/24/75/852472475.db2.gz DHYJMQCAZQCSEY-VOJFVSQTSA-N -1 3 379.840 3.569 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Br)c1 ZINC000507041117 852483350 /nfs/dbraw/zinc/48/33/50/852483350.db2.gz VVZFQQVUDHMRPW-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccsc2)c1[O-] ZINC000436902098 852487665 /nfs/dbraw/zinc/48/76/65/852487665.db2.gz SNNLJGCQYLLUBY-UHFFFAOYSA-N -1 3 392.436 3.811 20 0 GHADHM CC(C)Cc1nc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cs1 ZINC000436915816 852494926 /nfs/dbraw/zinc/49/49/26/852494926.db2.gz QMYGUOJQNABCEW-UHFFFAOYSA-N -1 3 377.857 3.738 20 0 GHADHM O=C(c1cscc1-c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436916577 852497070 /nfs/dbraw/zinc/49/70/70/852497070.db2.gz UQCBCHMSHWPWRV-UHFFFAOYSA-N -1 3 392.480 3.719 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c(Cl)cccc1Cl ZINC000436920562 852501659 /nfs/dbraw/zinc/50/16/59/852501659.db2.gz HCSPIJZSXUNWAN-UHFFFAOYSA-N -1 3 393.270 3.734 20 0 GHADHM O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436921793 852502419 /nfs/dbraw/zinc/50/24/19/852502419.db2.gz XAONIPWRVLYIEF-ZDUSSCGKSA-N -1 3 377.265 3.733 20 0 GHADHM CCc1csc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436926919 852508300 /nfs/dbraw/zinc/50/83/00/852508300.db2.gz OWWVFBCXZDZOBR-SFHVURJKSA-N -1 3 395.484 3.911 20 0 GHADHM O=C(Cc1ccc2ccccc2c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436944432 852526940 /nfs/dbraw/zinc/52/69/40/852526940.db2.gz MKWWSBFZSFJIPF-UHFFFAOYSA-N -1 3 388.467 3.509 20 0 GHADHM C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436957016 852546237 /nfs/dbraw/zinc/54/62/37/852546237.db2.gz QZVWXDWSEPVWGJ-CXAGYDPISA-N -1 3 394.393 3.568 20 0 GHADHM COc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1[O-] ZINC000436960041 852549725 /nfs/dbraw/zinc/54/97/25/852549725.db2.gz OZWUCQAHAIQGOT-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnc2n[nH]nc2c1 ZINC000436975157 852559796 /nfs/dbraw/zinc/55/97/96/852559796.db2.gz HKJDDEPEBYROQX-UHFFFAOYSA-N -1 3 388.412 3.588 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)N(C)CCCC)CC2)c([O-])c1 ZINC000436978444 852566807 /nfs/dbraw/zinc/56/68/07/852566807.db2.gz VHULTYGHJKRHPJ-UHFFFAOYSA-N -1 3 390.524 3.682 20 0 GHADHM O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000436979520 852567879 /nfs/dbraw/zinc/56/78/79/852567879.db2.gz KCTMHYAFLPWKGF-UHFFFAOYSA-N -1 3 392.455 3.562 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436980615 852568735 /nfs/dbraw/zinc/56/87/35/852568735.db2.gz NXWDDRYSFAVZBF-APWZRJJASA-N -1 3 398.890 3.666 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(F)(F)F)C(C)C ZINC000438635001 852654306 /nfs/dbraw/zinc/65/43/06/852654306.db2.gz ZQUCRLXYKXVHIE-OAHLLOKOSA-N -1 3 396.413 3.578 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000427064445 852682667 /nfs/dbraw/zinc/68/26/67/852682667.db2.gz LQRSNYYDAHFORC-LSDHHAIUSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000427064445 852682674 /nfs/dbraw/zinc/68/26/74/852682674.db2.gz LQRSNYYDAHFORC-LSDHHAIUSA-N -1 3 388.258 3.840 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473853883 852686846 /nfs/dbraw/zinc/68/68/46/852686846.db2.gz FBMAWYWBESJEBJ-HRAATJIYSA-N -1 3 391.471 3.680 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1F ZINC000518022349 852744955 /nfs/dbraw/zinc/74/49/55/852744955.db2.gz AQUUSLLKLKYJDM-VIFPVBQESA-N -1 3 385.208 3.993 20 0 GHADHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc([O-])ccc1Cl ZINC000507311432 852772359 /nfs/dbraw/zinc/77/23/59/852772359.db2.gz ZKGLLDJAZVEADA-ICSRJNTNSA-N -1 3 377.843 3.688 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC(Cc3ccsc3)C2)s1 ZINC000912831138 852779352 /nfs/dbraw/zinc/77/93/52/852779352.db2.gz WGSMTSWRPTZJBK-UHFFFAOYSA-N -1 3 379.507 3.866 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cnc1C ZINC000427241428 852885106 /nfs/dbraw/zinc/88/51/06/852885106.db2.gz JIOYOONQZNKVPS-UHFFFAOYSA-N -1 3 390.795 3.568 20 0 GHADHM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc(F)cc2n[n-]nc21 ZINC000506001674 852895000 /nfs/dbraw/zinc/89/50/00/852895000.db2.gz IXLUPMPQEWXQBR-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM CCCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccccc1C ZINC000429605694 852906474 /nfs/dbraw/zinc/90/64/74/852906474.db2.gz RLQPSBKIRJPUMX-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM CCCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccccc1C ZINC000429605694 852906478 /nfs/dbraw/zinc/90/64/78/852906478.db2.gz RLQPSBKIRJPUMX-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000437326003 853011967 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3.859 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290699358 853449621 /nfs/dbraw/zinc/44/96/21/853449621.db2.gz NHRRHVJOLQOCSD-GDBMZVCRSA-N -1 3 385.430 3.628 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000517159352 853464163 /nfs/dbraw/zinc/46/41/63/853464163.db2.gz VXTPPBLHUVDIKL-UHFFFAOYSA-N -1 3 398.484 3.650 20 0 GHADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000571472300 853888126 /nfs/dbraw/zinc/88/81/26/853888126.db2.gz YBHPIWDWYDKKBY-UHFFFAOYSA-N -1 3 395.890 3.923 20 0 GHADHM COCc1nc(CNC(=O)c2ccc(OC)cc2[O-])c(-c2ccccc2)s1 ZINC000441140123 853940348 /nfs/dbraw/zinc/94/03/48/853940348.db2.gz LYMVYHXINLOGFD-UHFFFAOYSA-N -1 3 384.457 3.601 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000481901670 862520475 /nfs/dbraw/zinc/52/04/75/862520475.db2.gz FZIWSYLRQBLJPP-UHFFFAOYSA-N -1 3 399.376 3.757 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000481931155 862537230 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GHADHM C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@@H]1C ZINC000542678690 855406787 /nfs/dbraw/zinc/40/67/87/855406787.db2.gz CAIQFYFTTBCSFD-RDBSUJKOSA-N -1 3 393.484 3.509 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC(F)(F)F)c2)cc1 ZINC000482085031 862681074 /nfs/dbraw/zinc/68/10/74/862681074.db2.gz QVXYUKPEVSOZFI-UHFFFAOYSA-N -1 3 389.395 4.000 20 0 GHADHM O=c1[n-]nc(S[C@@H](c2ccccc2)c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000133755849 862681436 /nfs/dbraw/zinc/68/14/36/862681436.db2.gz XOJPICFQBWMSIK-ROUUACIJSA-N -1 3 385.464 3.771 20 0 GHADHM O=S(=O)([N-]Cc1ccc(N2CCCCCC2)nc1)c1ccc(Cl)s1 ZINC000056075491 855466580 /nfs/dbraw/zinc/46/65/80/855466580.db2.gz WGWFQFYMNUYKJU-UHFFFAOYSA-N -1 3 385.942 3.655 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000107546330 855472924 /nfs/dbraw/zinc/47/29/24/855472924.db2.gz RTQDXAUFVJGIHB-ZWKOTPCHSA-N -1 3 380.469 3.954 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC001128099709 855536090 /nfs/dbraw/zinc/53/60/90/855536090.db2.gz HTUSWYSFHHXKPD-UHFFFAOYSA-N -1 3 376.453 3.689 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001212165337 855590569 /nfs/dbraw/zinc/59/05/69/855590569.db2.gz GHXHOISQTMEMGL-HMFCALDFSA-N -1 3 392.974 3.707 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000182547167 855663775 /nfs/dbraw/zinc/66/37/75/855663775.db2.gz IRLKWUGHGLJNJZ-UHFFFAOYSA-N -1 3 377.297 3.659 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000462162689 871718604 /nfs/dbraw/zinc/71/86/04/871718604.db2.gz FWAKBSKGZOQUMJ-MRVPVSSYSA-N -1 3 381.342 3.623 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N(C)C)c1Cl ZINC000614596056 855713497 /nfs/dbraw/zinc/71/34/97/855713497.db2.gz YAWLUSWVWNQYRJ-HNNXBMFYSA-N -1 3 387.332 3.883 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)sc1Cl ZINC000191898513 855749360 /nfs/dbraw/zinc/74/93/60/855749360.db2.gz MMRUWLLRZBIDBJ-UHFFFAOYSA-N -1 3 385.942 3.574 20 0 GHADHM COc1c(Br)cccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417623085 855753843 /nfs/dbraw/zinc/75/38/43/855753843.db2.gz JDYYQMDHPUQZRA-GDBMZVCRSA-N -1 3 376.250 3.861 20 0 GHADHM COc1ccc(OC(F)F)c(C[N-]C(=O)C(F)(F)c2ccccc2F)c1 ZINC000765856754 855791457 /nfs/dbraw/zinc/79/14/57/855791457.db2.gz AFFOEQNFLGTMFV-UHFFFAOYSA-N -1 3 375.293 3.844 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1F ZINC000057425376 855894020 /nfs/dbraw/zinc/89/40/20/855894020.db2.gz ZLVVBKJUBMIMLH-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000624755441 855912709 /nfs/dbraw/zinc/91/27/09/855912709.db2.gz YUPSDZFULHHDCM-UHFFFAOYSA-N -1 3 399.458 3.709 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000624755441 855912714 /nfs/dbraw/zinc/91/27/14/855912714.db2.gz YUPSDZFULHHDCM-UHFFFAOYSA-N -1 3 399.458 3.709 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C(=O)OC(C)(C)C)c2)cc1 ZINC000591351452 855948367 /nfs/dbraw/zinc/94/83/67/855948367.db2.gz NFKWEAZIWNXCOR-IBGZPJMESA-N -1 3 385.460 3.956 20 0 GHADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000108639240 855964171 /nfs/dbraw/zinc/96/41/71/855964171.db2.gz VKDVTYPGPKQLLY-UHFFFAOYSA-N -1 3 393.468 3.953 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cnc(C(C)(C)C)s2)n[n-]1 ZINC000895103795 856004828 /nfs/dbraw/zinc/00/48/28/856004828.db2.gz CLHFMRFACRZNFC-CYBMUJFWSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cnc(C(C)(C)C)s2)[n-]1 ZINC000895103795 856004834 /nfs/dbraw/zinc/00/48/34/856004834.db2.gz CLHFMRFACRZNFC-CYBMUJFWSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cnc(C(C)(C)C)s2)n1 ZINC000895103795 856004849 /nfs/dbraw/zinc/00/48/49/856004849.db2.gz CLHFMRFACRZNFC-CYBMUJFWSA-N -1 3 379.530 3.612 20 0 GHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3c(C)cccc3[O-])CC2)cc1Cl ZINC000624299102 856143548 /nfs/dbraw/zinc/14/35/48/856143548.db2.gz DHDYBIGISYTMDM-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485139019 856150426 /nfs/dbraw/zinc/15/04/26/856150426.db2.gz CHDJCEAXNHDSJH-UHFFFAOYSA-N -1 3 390.325 3.537 20 0 GHADHM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485139019 856150434 /nfs/dbraw/zinc/15/04/34/856150434.db2.gz CHDJCEAXNHDSJH-UHFFFAOYSA-N -1 3 390.325 3.537 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1 ZINC000032475302 856237143 /nfs/dbraw/zinc/23/71/43/856237143.db2.gz BMYODUWMUYQBSO-UHFFFAOYSA-N -1 3 390.249 3.941 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)[n-]1 ZINC000427633146 856248366 /nfs/dbraw/zinc/24/83/66/856248366.db2.gz ZOALVSPUBVXLFV-UHFFFAOYSA-N -1 3 380.335 3.845 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000033181453 856282265 /nfs/dbraw/zinc/28/22/65/856282265.db2.gz JMHJGJBJNFSGRC-ZBFHGGJFSA-N -1 3 390.480 3.935 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc3occc3c2)c(C)c1Cl ZINC001212435555 856286557 /nfs/dbraw/zinc/28/65/57/856286557.db2.gz OEJJIJIILZXUGS-UHFFFAOYSA-N -1 3 399.877 3.721 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714110 856293204 /nfs/dbraw/zinc/29/32/04/856293204.db2.gz XAJUISRLTDCJMU-UHFFFAOYSA-N -1 3 389.131 3.893 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714110 856293214 /nfs/dbraw/zinc/29/32/14/856293214.db2.gz XAJUISRLTDCJMU-UHFFFAOYSA-N -1 3 389.131 3.893 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1 ZINC000485266857 856295128 /nfs/dbraw/zinc/29/51/28/856295128.db2.gz DUOISUNRUQMCKT-UHFFFAOYSA-N -1 3 393.505 3.672 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1Cl ZINC000478685206 856299532 /nfs/dbraw/zinc/29/95/32/856299532.db2.gz DNZUNBGTVCEDBW-UHFFFAOYSA-N -1 3 397.884 3.551 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1c(C)onc1-c1ccncc1)OCCO2 ZINC000429230420 856315283 /nfs/dbraw/zinc/31/52/83/856315283.db2.gz KYXHXGBBPGYMRH-UHFFFAOYSA-N -1 3 383.429 3.790 20 0 GHADHM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc([O-])cc(F)c1 ZINC000485300572 856330120 /nfs/dbraw/zinc/33/01/20/856330120.db2.gz TXEVDDYYIADODQ-UHFFFAOYSA-N -1 3 378.469 3.626 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCC(C)(C)c3cccc(C)c3)c(=O)c2c(OC)c1 ZINC000624778169 856344421 /nfs/dbraw/zinc/34/44/21/856344421.db2.gz XPACMHLHJPXWJJ-UHFFFAOYSA-N -1 3 394.471 3.561 20 0 GHADHM Cn1cccc1[C@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905497609 856370735 /nfs/dbraw/zinc/37/07/35/856370735.db2.gz MIVYPVYVWRPBCT-CYBMUJFWSA-N -1 3 376.482 3.806 20 0 GHADHM O=C1CCC(=O)N1c1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1 ZINC000485347799 856375272 /nfs/dbraw/zinc/37/52/72/856375272.db2.gz PQFJVDLMQALZEU-UHFFFAOYSA-N -1 3 388.210 3.550 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875617 856386191 /nfs/dbraw/zinc/38/61/91/856386191.db2.gz IAZJEVSIIXFVPW-UHFFFAOYSA-N -1 3 383.455 3.705 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875617 856386197 /nfs/dbraw/zinc/38/61/97/856386197.db2.gz IAZJEVSIIXFVPW-UHFFFAOYSA-N -1 3 383.455 3.705 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1ccncc1 ZINC000485383706 856439145 /nfs/dbraw/zinc/43/91/45/856439145.db2.gz NVZXQBLUSDBJOK-QGZVFWFLSA-N -1 3 398.260 3.663 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1F ZINC000624827756 856440646 /nfs/dbraw/zinc/44/06/46/856440646.db2.gz IEYUZEHYNHRFBM-GFCCVEGCSA-N -1 3 394.443 3.661 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1Cl ZINC000130885026 856445194 /nfs/dbraw/zinc/44/51/94/856445194.db2.gz GGINTGQOYJKCQF-WCQYABFASA-N -1 3 399.818 3.526 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000905738190 856530251 /nfs/dbraw/zinc/53/02/51/856530251.db2.gz BUYRPYBYNINIPL-UHFFFAOYSA-N -1 3 387.789 3.959 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(C2CC2)n(CC)n1 ZINC000905893304 856674420 /nfs/dbraw/zinc/67/44/20/856674420.db2.gz MJBHCFIELBWXCN-UHFFFAOYSA-N -1 3 394.431 3.864 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccc(C)c(C)c1 ZINC001212442460 856680667 /nfs/dbraw/zinc/68/06/67/856680667.db2.gz JINAYLCYPBTRRH-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C)c1ccco1 ZINC000427813407 856759516 /nfs/dbraw/zinc/75/95/16/856759516.db2.gz VBYWTVZSGCBESJ-IBGZPJMESA-N -1 3 375.421 3.804 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCN(CC)c3ccccc3)nc2)n1 ZINC000111107103 856791584 /nfs/dbraw/zinc/79/15/84/856791584.db2.gz HVSLJZGFSQXCET-UHFFFAOYSA-N -1 3 377.492 3.723 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234385 862838125 /nfs/dbraw/zinc/83/81/25/862838125.db2.gz XKVKMQYJLCVYCG-UKRRQHHQSA-N -1 3 399.292 3.929 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000508027805 856831163 /nfs/dbraw/zinc/83/11/63/856831163.db2.gz HMPMLIJXLQTNRU-UHFFFAOYSA-N -1 3 393.317 3.670 20 0 GHADHM Cc1cc(Br)c(CNCCSC[C@@H](C)C(=O)[O-])cc1Cl ZINC000592461830 856880661 /nfs/dbraw/zinc/88/06/61/856880661.db2.gz LZQVJNWWZHWYQZ-SNVBAGLBSA-N -1 3 380.735 3.954 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000508088536 856886281 /nfs/dbraw/zinc/88/62/81/856886281.db2.gz KAMLXDDYDCRTRW-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c([O-])c1 ZINC000190877473 856891492 /nfs/dbraw/zinc/89/14/92/856891492.db2.gz ZIDACIQLNFAAPU-SFHVURJKSA-N -1 3 395.503 3.937 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(C(F)(F)F)cn2)c(C(=O)OCC)[n-]1 ZINC000485669219 856907754 /nfs/dbraw/zinc/90/77/54/856907754.db2.gz LBOPDERAWJJNNK-UHFFFAOYSA-N -1 3 384.358 3.595 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc2c(c1)CCC2 ZINC000508124038 856956429 /nfs/dbraw/zinc/95/64/29/856956429.db2.gz ATXSOJWRUOCJKG-UHFFFAOYSA-N -1 3 387.686 3.787 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCCCC1 ZINC000427990133 856982453 /nfs/dbraw/zinc/98/24/53/856982453.db2.gz HRXWKULWWCOROW-UHFFFAOYSA-N -1 3 393.487 3.732 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Cl)cc1C(F)(F)F ZINC000129234409 857103980 /nfs/dbraw/zinc/10/39/80/857103980.db2.gz PAGZDSJWNAJMOA-RAIGVLPGSA-N -1 3 383.819 3.595 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCNC(=O)C1 ZINC000906556358 857150787 /nfs/dbraw/zinc/15/07/87/857150787.db2.gz QYUXMOCJTGFSSH-HXUWFJFHSA-N -1 3 381.457 3.524 20 0 GHADHM Cc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c(C)c1 ZINC000112628756 857166129 /nfs/dbraw/zinc/16/61/29/857166129.db2.gz BUBHVMYKGOJNLH-UHFFFAOYSA-N -1 3 385.261 3.837 20 0 GHADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000057555360 857216907 /nfs/dbraw/zinc/21/69/07/857216907.db2.gz RCIMSGBENNLLAS-MRXNPFEDSA-N -1 3 384.382 3.937 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)c(F)c2)cc1Cl ZINC001212448892 857241062 /nfs/dbraw/zinc/24/10/62/857241062.db2.gz DRTCAPFAVAHRSP-UHFFFAOYSA-N -1 3 384.738 3.603 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000567920410 862893677 /nfs/dbraw/zinc/89/36/77/862893677.db2.gz JQHVSVXVMOLGSF-CQSZACIVSA-N -1 3 382.489 3.713 20 0 GHADHM COc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c(Br)c1[O-] ZINC000761012599 857316643 /nfs/dbraw/zinc/31/66/43/857316643.db2.gz SOBVAIOBRYCLCX-CQSZACIVSA-N -1 3 383.629 3.671 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000672428169 857327386 /nfs/dbraw/zinc/32/73/86/857327386.db2.gz IGYKSMIMPWVSRT-ZDUSSCGKSA-N -1 3 397.855 3.588 20 0 GHADHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000027598013 857342677 /nfs/dbraw/zinc/34/26/77/857342677.db2.gz CYDNVYCNLNZXKA-UHFFFAOYSA-N -1 3 379.652 3.547 20 0 GHADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c1Cl ZINC000675436596 857345006 /nfs/dbraw/zinc/34/50/06/857345006.db2.gz VFIHLGZRCFHOMG-UHFFFAOYSA-N -1 3 395.695 3.763 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000675436308 857349900 /nfs/dbraw/zinc/34/99/00/857349900.db2.gz OLKRBUYTYPJFRK-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000675436308 857349914 /nfs/dbraw/zinc/34/99/14/857349914.db2.gz OLKRBUYTYPJFRK-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1Br ZINC000486049736 857364186 /nfs/dbraw/zinc/36/41/86/857364186.db2.gz DZNGYYWHQBAYFM-DUXPYHPUSA-N -1 3 384.233 3.773 20 0 GHADHM O=c1cc(C=Cc2ccc(OCc3ccncc3)cc2)nc(-c2ccncc2)[n-]1 ZINC000486051284 857365166 /nfs/dbraw/zinc/36/51/66/857365166.db2.gz KQBLYVQMJYPRNO-DAFODLJHSA-N -1 3 382.423 3.976 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)s1 ZINC000906934693 857381612 /nfs/dbraw/zinc/38/16/12/857381612.db2.gz BFWSCRHJRPOARL-QWHCGFSZSA-N -1 3 393.509 3.854 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000113278608 857407269 /nfs/dbraw/zinc/40/72/69/857407269.db2.gz HXOONRZVFBRJHW-UHFFFAOYSA-N -1 3 396.390 3.980 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000574274105 857489260 /nfs/dbraw/zinc/48/92/60/857489260.db2.gz GKQUROJCMPTYBO-UHFFFAOYSA-N -1 3 399.878 3.505 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c(C(=O)OCC)[n-]1 ZINC000574253613 857505591 /nfs/dbraw/zinc/50/55/91/857505591.db2.gz GXDURMPDHHHENI-UHFFFAOYSA-N -1 3 395.463 3.741 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1F ZINC000029051825 857585711 /nfs/dbraw/zinc/58/57/11/857585711.db2.gz PZUOETLDOAVYKG-UHFFFAOYSA-N -1 3 384.432 3.696 20 0 GHADHM Cc1cccc(OC[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482301014 862929639 /nfs/dbraw/zinc/92/96/39/862929639.db2.gz UNLYRLZKJYGWJN-CYBMUJFWSA-N -1 3 393.281 3.730 20 0 GHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCCCO1 ZINC000675827227 857627843 /nfs/dbraw/zinc/62/78/43/857627843.db2.gz NKAOGWUNYKOLIM-HNNXBMFYSA-N -1 3 385.302 3.549 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1C ZINC000442244712 857650402 /nfs/dbraw/zinc/65/04/02/857650402.db2.gz VDJRFTYOLSUWQL-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)cs1 ZINC000442261316 857667981 /nfs/dbraw/zinc/66/79/81/857667981.db2.gz ORGCAOYRMURHLF-UHFFFAOYSA-N -1 3 387.486 3.742 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccccc2F)on1 ZINC000676055592 857719939 /nfs/dbraw/zinc/71/99/39/857719939.db2.gz GRKMAZVNNZONAN-UHFFFAOYSA-N -1 3 391.196 3.879 20 0 GHADHM CC(C)(C)OC(=O)C1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCCC1 ZINC000593811562 857733905 /nfs/dbraw/zinc/73/39/05/857733905.db2.gz NTPLHHPUZXILCV-UHFFFAOYSA-N -1 3 384.476 3.693 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnn(-c2ccccc2F)c1 ZINC000521208254 857734155 /nfs/dbraw/zinc/73/41/55/857734155.db2.gz IYPRTOWKQGBRRZ-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ncccc1[O-] ZINC000064721994 857735060 /nfs/dbraw/zinc/73/50/60/857735060.db2.gz NZRYVGJDFZDLLO-UHFFFAOYSA-N -1 3 388.402 3.960 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(CCc4ccccc4)[nH]n3)c[n-]c12 ZINC000676158029 857763000 /nfs/dbraw/zinc/76/30/00/857763000.db2.gz JNGWXKMBCUTBJB-UHFFFAOYSA-N -1 3 390.418 3.736 20 0 GHADHM C[C@@H]1COc2ccccc2CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000543008677 857806137 /nfs/dbraw/zinc/80/61/37/857806137.db2.gz BKUXIGPBEVWANS-GFCCVEGCSA-N -1 3 391.265 3.647 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486571328 857873972 /nfs/dbraw/zinc/87/39/72/857873972.db2.gz BVWBMADUPGXTKG-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1cccs1 ZINC000521485787 858035511 /nfs/dbraw/zinc/03/55/11/858035511.db2.gz RAYMUGFDQFRAPE-UHFFFAOYSA-N -1 3 392.424 3.710 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001168403915 858100522 /nfs/dbraw/zinc/10/05/22/858100522.db2.gz JIPWIUBWBFOMEE-LBPRGKRZSA-N -1 3 389.814 3.513 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000605319849 862987415 /nfs/dbraw/zinc/98/74/15/862987415.db2.gz OTXQMHMSISORQR-CYBMUJFWSA-N -1 3 395.349 3.650 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1)C1CC1 ZINC000521623268 858166753 /nfs/dbraw/zinc/16/67/53/858166753.db2.gz OUAGAFBWPYBYTO-IBGZPJMESA-N -1 3 379.453 3.571 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])NC(=O)C1CCCCC1 ZINC000066613216 858211488 /nfs/dbraw/zinc/21/14/88/858211488.db2.gz HNPJFOQIBHSZKD-NSHDSACASA-N -1 3 383.286 3.568 20 0 GHADHM O=S(=O)([N-]C1CCCC1)c1csc(-c2cccc(Br)c2)n1 ZINC000521666941 858226518 /nfs/dbraw/zinc/22/65/18/858226518.db2.gz OIWRPXOHHHTNJR-UHFFFAOYSA-N -1 3 387.324 3.794 20 0 GHADHM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000521767163 858311159 /nfs/dbraw/zinc/31/11/59/858311159.db2.gz FWZXOMBTOVBZSS-LLVKDONJSA-N -1 3 385.844 3.507 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(C)c2)CCCC1 ZINC000443077170 858351613 /nfs/dbraw/zinc/35/16/13/858351613.db2.gz ZLMRKTJIYPQLLD-UHFFFAOYSA-N -1 3 391.464 3.669 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)n1 ZINC000443104803 858363212 /nfs/dbraw/zinc/36/32/12/858363212.db2.gz AWYMJQLOHXYZBH-MRXNPFEDSA-N -1 3 386.455 3.822 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1Cl)C(C)C ZINC000443115689 858382567 /nfs/dbraw/zinc/38/25/67/858382567.db2.gz ITGQRBOODBITSH-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2cccc([O-])c2F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000574857421 858394643 /nfs/dbraw/zinc/39/46/43/858394643.db2.gz MACDPXFUWDWQHL-BMLIUANNSA-N -1 3 397.233 3.996 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCOc4c(F)cccc43)cc2)cc(=O)[n-]1 ZINC000443142679 858403982 /nfs/dbraw/zinc/40/39/82/858403982.db2.gz ASTZFGRDXAZRRW-KRWDZBQOSA-N -1 3 394.406 3.942 20 0 GHADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc(C(F)(F)F)ncn2)s1 ZINC001271108253 858507282 /nfs/dbraw/zinc/50/72/82/858507282.db2.gz HZNYHPKFNVZWFY-UHFFFAOYSA-N -1 3 383.330 3.714 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC000443261226 858512114 /nfs/dbraw/zinc/51/21/14/858512114.db2.gz GECLVGTWWKCXJH-OAHLLOKOSA-N -1 3 383.828 3.546 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cccc(Cl)c1F ZINC000522024762 858536389 /nfs/dbraw/zinc/53/63/89/858536389.db2.gz HUYVSCGAWODYKF-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000443388442 858622404 /nfs/dbraw/zinc/62/24/04/858622404.db2.gz TVUZAXSQJDNPKV-JTQLQIEISA-N -1 3 393.814 3.974 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2ccc(Br)s2)cc(OC)c1[O-] ZINC000443397882 858639955 /nfs/dbraw/zinc/63/99/55/858639955.db2.gz GNFUVIYQUIHOPV-MRVPVSSYSA-N -1 3 386.267 3.724 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NCc2cccc(C3CCCC3)c2)C1=O ZINC000665330697 858708803 /nfs/dbraw/zinc/70/88/03/858708803.db2.gz CUYKTIBTCFWOOO-FCHUYYIVSA-N -1 3 392.499 3.861 20 0 GHADHM Cc1ccccc1-c1nc(COC(=O)c2cccc(Br)c2[O-])no1 ZINC000761141425 858720317 /nfs/dbraw/zinc/72/03/17/858720317.db2.gz DMQVLJDRDQAQMZ-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3CC3CCC3)nc(=O)c2c1C ZINC000595869868 858720358 /nfs/dbraw/zinc/72/03/58/858720358.db2.gz CUWSDYSECQVHMX-CQSZACIVSA-N -1 3 389.521 3.624 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000568073938 858862249 /nfs/dbraw/zinc/86/22/49/858862249.db2.gz RDEAAEOHRPFIMK-UHFFFAOYSA-N -1 3 383.370 3.625 20 0 GHADHM COc1cc(C(=O)N(C)CCOc2ccccc2C(C)(C)C)cc(OC)c1[O-] ZINC000482837333 858898458 /nfs/dbraw/zinc/89/84/58/858898458.db2.gz PVFISOFUASCORQ-UHFFFAOYSA-N -1 3 387.476 3.858 20 0 GHADHM CCc1cc2c(CN(C)Cc3ccc(OC)cc3OC)cc(=O)oc2cc1[O-] ZINC000007266308 858946845 /nfs/dbraw/zinc/94/68/45/858946845.db2.gz XFFXDDABUKJCCX-UHFFFAOYSA-N -1 3 383.444 3.710 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)CCC2)n1 ZINC000474119680 859110030 /nfs/dbraw/zinc/11/00/30/859110030.db2.gz RSPPXUMVCNNPHA-UHFFFAOYSA-N -1 3 391.543 3.933 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483118914 859148189 /nfs/dbraw/zinc/14/81/89/859148189.db2.gz IDZWWVVGGUBRPS-CYBMUJFWSA-N -1 3 399.417 3.809 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568187057 859160766 /nfs/dbraw/zinc/16/07/66/859160766.db2.gz ULRHMMBBZGZWAI-JTQLQIEISA-N -1 3 376.254 3.655 20 0 GHADHM CCc1onc(C)c1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000483118249 859161607 /nfs/dbraw/zinc/16/16/07/859161607.db2.gz ILQYXTGLEVSHML-UHFFFAOYSA-N -1 3 393.216 3.511 20 0 GHADHM Cc1nc2c(nccc2C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)[nH]1 ZINC000436193136 859263013 /nfs/dbraw/zinc/26/30/13/859263013.db2.gz WOWGLFPAORJPBB-UHFFFAOYSA-N -1 3 387.230 3.637 20 0 GHADHM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000509396965 859309068 /nfs/dbraw/zinc/30/90/68/859309068.db2.gz PHEHJPMKWKXBHV-UHFFFAOYSA-N -1 3 380.469 3.717 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000923470562 859339195 /nfs/dbraw/zinc/33/91/95/859339195.db2.gz LYNCQFOYEUEOQU-FQEVSTJZSA-N -1 3 387.505 3.634 20 0 GHADHM Cn1c(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc2ccccc21 ZINC000195085769 859350551 /nfs/dbraw/zinc/35/05/51/859350551.db2.gz UOXCUHQLMUCIBK-UHFFFAOYSA-N -1 3 398.894 3.783 20 0 GHADHM Cc1ccccc1-c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000113730682 859352964 /nfs/dbraw/zinc/35/29/64/859352964.db2.gz QDGOERUQUYHSLQ-UHFFFAOYSA-N -1 3 398.419 3.980 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@]4(CC(F)(F)C4(F)F)C3)nc2)n1 ZINC000895393571 859379410 /nfs/dbraw/zinc/37/94/10/859379410.db2.gz YTLHNPFLQBIXOR-MRXNPFEDSA-N -1 3 382.361 3.677 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000195564108 859390331 /nfs/dbraw/zinc/39/03/31/859390331.db2.gz JNHNASJHZVTHRG-GASCZTMLSA-N -1 3 382.460 3.771 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000069209047 859390949 /nfs/dbraw/zinc/39/09/49/859390949.db2.gz WCZYQLCJGCGBRX-AWEZNQCLSA-N -1 3 391.899 3.762 20 0 GHADHM CC[C@@](C)(CCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C1OCCO1 ZINC000760598375 859451184 /nfs/dbraw/zinc/45/11/84/859451184.db2.gz HTLXATYXRYOTQY-IBGZPJMESA-N -1 3 399.484 3.728 20 0 GHADHM CC[C@](C)(CCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C1OCCO1 ZINC000760598378 859452299 /nfs/dbraw/zinc/45/22/99/859452299.db2.gz HTLXATYXRYOTQY-LJQANCHMSA-N -1 3 399.484 3.728 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1F ZINC000543690040 859462215 /nfs/dbraw/zinc/46/22/15/859462215.db2.gz UPAWNRHITXJQOH-HIFRSBDPSA-N -1 3 387.835 3.817 20 0 GHADHM C[C@@H](Sc1ncnc2[nH]cnc21)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114094721 859476161 /nfs/dbraw/zinc/47/61/61/859476161.db2.gz KJQGAIMWHOFBJQ-MRVPVSSYSA-N -1 3 396.457 3.764 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)c(F)c1 ZINC000483609840 859485511 /nfs/dbraw/zinc/48/55/11/859485511.db2.gz WQKTZMLHDQTCGF-HNNXBMFYSA-N -1 3 386.206 3.872 20 0 GHADHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000513995501 859494826 /nfs/dbraw/zinc/49/48/26/859494826.db2.gz XSOKELWVPGXDEF-UHFFFAOYSA-N -1 3 382.485 3.694 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc(C)c(C)o3)nc(=O)c2c1C ZINC000047558517 859520053 /nfs/dbraw/zinc/52/00/53/859520053.db2.gz ITJUVHBECZXCSX-JTQLQIEISA-N -1 3 393.490 3.928 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3COc4ccc(F)cc43)cc2)cc(=O)[n-]1 ZINC000466446311 859531028 /nfs/dbraw/zinc/53/10/28/859531028.db2.gz OZYLPHAIQVATRW-KRWDZBQOSA-N -1 3 380.379 3.552 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)ccc1C ZINC000673494813 859574648 /nfs/dbraw/zinc/57/46/48/859574648.db2.gz WQQSVNSIPDZYTB-UHFFFAOYSA-N -1 3 397.456 3.942 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000483726491 859582243 /nfs/dbraw/zinc/58/22/43/859582243.db2.gz BFWAOQOPCSASME-HNNXBMFYSA-N -1 3 386.373 3.793 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000125967500 859599968 /nfs/dbraw/zinc/59/99/68/859599968.db2.gz PQPUFGOKGNFLCR-HNNXBMFYSA-N -1 3 392.249 3.965 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1OC ZINC000117761360 859611295 /nfs/dbraw/zinc/61/12/95/859611295.db2.gz FSPFPGNQWJQQCN-UHFFFAOYSA-N -1 3 390.505 3.664 20 0 GHADHM C[C@H](COc1ccccc1)C(=O)Nc1cc(I)ccc1[O-] ZINC000611156361 859623819 /nfs/dbraw/zinc/62/38/19/859623819.db2.gz CVFJGAGSXXEXFR-LLVKDONJSA-N -1 3 397.212 3.650 20 0 GHADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543414870 859629583 /nfs/dbraw/zinc/62/95/83/859629583.db2.gz CLNPDDXLJFETQF-QMMMGPOBSA-N -1 3 392.212 3.988 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C3CC(C)(C)CC(C)(C)C3)CC2)n[n-]1 ZINC000597575452 859649274 /nfs/dbraw/zinc/64/92/74/859649274.db2.gz XVFMPHRWGNFRMA-UHFFFAOYSA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C3CC(C)(C)CC(C)(C)C3)CC2)[n-]1 ZINC000597575452 859649284 /nfs/dbraw/zinc/64/92/84/859649284.db2.gz XVFMPHRWGNFRMA-UHFFFAOYSA-N -1 3 390.528 3.540 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000163317488 859692674 /nfs/dbraw/zinc/69/26/74/859692674.db2.gz DDDSZVXSKHCBTF-QGZVFWFLSA-N -1 3 393.468 3.759 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000765227065 859855394 /nfs/dbraw/zinc/85/53/94/859855394.db2.gz INSPQKXVCIHADX-DIFFPNOSSA-N -1 3 395.427 3.810 20 0 GHADHM O=C(OCc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(Cl)c1[O-] ZINC001127841890 859871702 /nfs/dbraw/zinc/87/17/02/859871702.db2.gz VFSICGWGOHFUIJ-UHFFFAOYSA-N -1 3 382.178 3.776 20 0 GHADHM COc1cc(C(=O)NCCCOc2ccc(Cl)cc2C)cc(OC)c1[O-] ZINC000484248125 859898523 /nfs/dbraw/zinc/89/85/23/859898523.db2.gz ARGGQABRIUWZMF-UHFFFAOYSA-N -1 3 379.840 3.570 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000597915967 859924791 /nfs/dbraw/zinc/92/47/91/859924791.db2.gz XXFNNIQGNXBXCR-QGZVFWFLSA-N -1 3 385.435 3.542 20 0 GHADHM CC1CCN(C(=O)C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)CC1 ZINC000279392482 859978112 /nfs/dbraw/zinc/97/81/12/859978112.db2.gz ASORQMVKQYSOQI-UHFFFAOYSA-N -1 3 380.488 3.656 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000598018177 859996073 /nfs/dbraw/zinc/99/60/73/859996073.db2.gz WCVKMEUJTHIXGK-UHFFFAOYSA-N -1 3 379.350 3.895 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436554020 860054694 /nfs/dbraw/zinc/05/46/94/860054694.db2.gz GAHGFFWVOXRLHT-UHFFFAOYSA-N -1 3 390.395 3.934 20 0 GHADHM COC1([C@H](NCc2cc(Cl)c(OC(C)C)cc2Cl)C(=O)[O-])CCC1 ZINC000904050656 860069292 /nfs/dbraw/zinc/06/92/92/860069292.db2.gz NJQFZUGCDDLGMM-OAHLLOKOSA-N -1 3 376.280 3.893 20 0 GHADHM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1Cl)[C@H](O)Cc1ccccc1 ZINC000904050256 860069824 /nfs/dbraw/zinc/06/98/24/860069824.db2.gz XZDHRXBKGWETLF-HZPDHXFCSA-N -1 3 387.785 3.505 20 0 GHADHM CCOCC[C@H](NCc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000904068828 860090234 /nfs/dbraw/zinc/09/02/34/860090234.db2.gz ZAGLSSNWNCMBIW-INIZCTEOSA-N -1 3 393.915 3.793 20 0 GHADHM Cc1cccc(C)c1C[C@H](NCc1cc(Br)cnc1Cl)C(=O)[O-] ZINC000904072164 860098154 /nfs/dbraw/zinc/09/81/54/860098154.db2.gz VJVKDAKUDLMEJW-HNNXBMFYSA-N -1 3 397.700 3.900 20 0 GHADHM CCc1ccc(-c2nc(COC(=O)CNC(=O)c3ccc([O-])cc3)cs2)cc1 ZINC000727541082 860129392 /nfs/dbraw/zinc/12/93/92/860129392.db2.gz UVSBJRJEOMYTSU-UHFFFAOYSA-N -1 3 396.468 3.551 20 0 GHADHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc([O-])c4ccccc4c3)C2)c1 ZINC000526914587 860163207 /nfs/dbraw/zinc/16/32/07/860163207.db2.gz ZQCVQZBFGLWVHV-QGZVFWFLSA-N -1 3 392.455 3.571 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)ccc1F ZINC000484620432 860171825 /nfs/dbraw/zinc/17/18/25/860171825.db2.gz QBGIJSQZJDOLEW-MOPGFXCFSA-N -1 3 379.453 3.617 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)ccc1F ZINC000484620434 860172067 /nfs/dbraw/zinc/17/20/67/860172067.db2.gz QBGIJSQZJDOLEW-RBUKOAKNSA-N -1 3 379.453 3.617 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000097206564 860186912 /nfs/dbraw/zinc/18/69/12/860186912.db2.gz DMQFECKJWOOILZ-UHFFFAOYSA-N -1 3 396.878 3.601 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000727796396 860274526 /nfs/dbraw/zinc/27/45/26/860274526.db2.gz HHFJYESYIHJGEI-RHSMWYFYSA-N -1 3 384.517 3.601 20 0 GHADHM O=C(/C=C/c1cccc(OC2CCCC2)c1)OCC(=O)[N-]C(=O)c1cccs1 ZINC000727886837 860302831 /nfs/dbraw/zinc/30/28/31/860302831.db2.gz ORSUYYMSYFCXHI-ZHACJKMWSA-N -1 3 399.468 3.583 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1c(Cl)cccc1Cl ZINC000024687399 860338609 /nfs/dbraw/zinc/33/86/09/860338609.db2.gz XOXLCCNERAPBQC-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000484779475 860345156 /nfs/dbraw/zinc/34/51/56/860345156.db2.gz BEKAQATXURITRX-UWVGGRQHSA-N -1 3 384.386 3.853 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2C)cc1Cl ZINC000484782733 860346418 /nfs/dbraw/zinc/34/64/18/860346418.db2.gz KDTCDPZXITWAGU-YGRLFVJLSA-N -1 3 390.908 3.931 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Cl ZINC000024883628 860354931 /nfs/dbraw/zinc/35/49/31/860354931.db2.gz TZBHKECOFQQRMT-UHFFFAOYSA-N -1 3 396.896 3.818 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000386750831 860370246 /nfs/dbraw/zinc/37/02/46/860370246.db2.gz ZWPMTWJGQSJXIQ-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1ccc(OC[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000765709288 860431234 /nfs/dbraw/zinc/43/12/34/860431234.db2.gz NHYPRTJTVLMHFV-ZDUSSCGKSA-N -1 3 393.281 3.730 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000469819961 860458123 /nfs/dbraw/zinc/45/81/23/860458123.db2.gz XLHLBOPSJOXDRX-UHFFFAOYSA-N -1 3 397.425 3.764 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(F)c3)ccc2O1 ZINC000729963563 860475987 /nfs/dbraw/zinc/47/59/87/860475987.db2.gz JCNNXVITOYUHMK-CYBMUJFWSA-N -1 3 376.453 3.550 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000904593468 860524925 /nfs/dbraw/zinc/52/49/25/860524925.db2.gz MCWDSYAVAUSJGI-KRWDZBQOSA-N -1 3 386.411 3.968 20 0 GHADHM CSc1nc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n[n-]1 ZINC000494339327 881557412 /nfs/dbraw/zinc/55/74/12/881557412.db2.gz DVRXNSYJRFFVIO-UHFFFAOYSA-N -1 3 381.177 3.560 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NCc1ccc([O-])c(F)c1 ZINC000156158166 860697516 /nfs/dbraw/zinc/69/75/16/860697516.db2.gz BNWJANJVVKTRAF-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 ZINC000840533351 860703483 /nfs/dbraw/zinc/70/34/83/860703483.db2.gz ADZQKXPUXSZFGD-UHFFFAOYSA-N -1 3 382.386 3.951 20 0 GHADHM Cc1nnc(SCc2c3ccccc3oc2C(=O)[N-]c2nonc2C)s1 ZINC000170799143 860722345 /nfs/dbraw/zinc/72/23/45/860722345.db2.gz ANGYDXZXTFUYIU-UHFFFAOYSA-N -1 3 387.446 3.829 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CCc1c(F)cccc1F)c1nc(C2CCCCC2)no1 ZINC000625046199 860774566 /nfs/dbraw/zinc/77/45/66/860774566.db2.gz KQYSTJJGFRBDMV-LBPRGKRZSA-N -1 3 399.463 3.619 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2csc3ccccc32)c1 ZINC000730018708 860841475 /nfs/dbraw/zinc/84/14/75/860841475.db2.gz WJSPRXQYWWHBDT-SNVBAGLBSA-N -1 3 381.500 3.789 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Br)ccc3[O-])cn2)n1 ZINC000176429920 860872969 /nfs/dbraw/zinc/87/29/69/860872969.db2.gz CCCVMURBNZIEKW-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM COc1cccc(CO[C@@H](C)C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176439733 860876216 /nfs/dbraw/zinc/87/62/16/860876216.db2.gz NHZGIFHQFADCSS-NSHDSACASA-N -1 3 380.238 3.707 20 0 GHADHM CCO[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(C)C ZINC000623343032 860891056 /nfs/dbraw/zinc/89/10/56/860891056.db2.gz ZZZKJEBNDOVXHT-LJQANCHMSA-N -1 3 390.505 3.795 20 0 GHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2[nH]1 ZINC000176581227 860968320 /nfs/dbraw/zinc/96/83/20/860968320.db2.gz CJCNJROLTDYSBU-UHFFFAOYSA-N -1 3 386.477 3.665 20 0 GHADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509091312 860968961 /nfs/dbraw/zinc/96/89/61/860968961.db2.gz XGTNXZMFYCWQHY-XMMPIXPASA-N -1 3 394.905 3.568 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccccc4O[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000494368008 881600718 /nfs/dbraw/zinc/60/07/18/881600718.db2.gz KCEWNGRMMCBEMU-AWEZNQCLSA-N -1 3 390.443 3.973 20 0 GHADHM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000600117998 861023672 /nfs/dbraw/zinc/02/36/72/861023672.db2.gz ADKYHFREORKJAK-UHFFFAOYSA-N -1 3 397.822 3.956 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC(C)(C)CCc3ccccc3)c(=O)c2c(OC)c1 ZINC000625164469 861057899 /nfs/dbraw/zinc/05/78/99/861057899.db2.gz FDBYYIUGPVNCPR-UHFFFAOYSA-N -1 3 394.471 3.687 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccc(Br)c1[O-])C(C)C ZINC000730364843 861073590 /nfs/dbraw/zinc/07/35/90/861073590.db2.gz JGUSFMMSHBHUPE-CQSZACIVSA-N -1 3 386.286 3.641 20 0 GHADHM COCCCOc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000157151944 861130214 /nfs/dbraw/zinc/13/02/14/861130214.db2.gz VFAFPJUSSDMHIV-UHFFFAOYSA-N -1 3 384.407 3.643 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000730502914 861137425 /nfs/dbraw/zinc/13/74/25/861137425.db2.gz ILPUJSYLDYWTCV-OAHLLOKOSA-N -1 3 392.496 3.620 20 0 GHADHM O=C(NC1CCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000730554701 861167310 /nfs/dbraw/zinc/16/73/10/861167310.db2.gz IJTRVABJALWGLP-UHFFFAOYSA-N -1 3 382.844 3.562 20 0 GHADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000730572922 861178609 /nfs/dbraw/zinc/17/86/09/861178609.db2.gz QPMQVLVTNOJWMV-NSHDSACASA-N -1 3 382.894 3.966 20 0 GHADHM O=C([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)C1CCOCC1 ZINC000792694403 881620759 /nfs/dbraw/zinc/62/07/59/881620759.db2.gz LWWOIAYUNLBXEI-LBPRGKRZSA-N -1 3 380.218 3.995 20 0 GHADHM O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182195743 863148681 /nfs/dbraw/zinc/14/86/81/863148681.db2.gz YFPQHUOKRAIXHX-FQEVSTJZSA-N -1 3 386.451 3.887 20 0 GHADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482467429 863177627 /nfs/dbraw/zinc/17/76/27/863177627.db2.gz CZLNDNVBTGOISB-OAHLLOKOSA-N -1 3 391.265 3.704 20 0 GHADHM CC(C)c1ccc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281567467 863253074 /nfs/dbraw/zinc/25/30/74/863253074.db2.gz AKJBXRJVUHHTNO-UHFFFAOYSA-N -1 3 384.442 3.660 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[n-]n1 ZINC000182682680 863327900 /nfs/dbraw/zinc/32/79/00/863327900.db2.gz UQEXLIIACYVJCM-UHFFFAOYSA-N -1 3 392.387 3.549 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)n[n-]1 ZINC000182682680 863327906 /nfs/dbraw/zinc/32/79/06/863327906.db2.gz UQEXLIIACYVJCM-UHFFFAOYSA-N -1 3 392.387 3.549 20 0 GHADHM CCO[C@@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)C1CCCC1 ZINC000482584160 863343443 /nfs/dbraw/zinc/34/34/43/863343443.db2.gz INZJCFJVHHBNLL-KRWDZBQOSA-N -1 3 399.329 3.939 20 0 GHADHM CCO[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C12CCCC2 ZINC000482602839 863378248 /nfs/dbraw/zinc/37/82/48/863378248.db2.gz ZIYSYEKMXQSRAD-HOTGVXAUSA-N -1 3 397.313 3.692 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120660013 881658771 /nfs/dbraw/zinc/65/87/71/881658771.db2.gz SNZHFZTTWMTPMO-GFCCVEGCSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120660013 881658778 /nfs/dbraw/zinc/65/87/78/881658778.db2.gz SNZHFZTTWMTPMO-GFCCVEGCSA-N -1 3 389.381 3.627 20 0 GHADHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536679 863695565 /nfs/dbraw/zinc/69/55/65/863695565.db2.gz QPSREZHZNCEUCA-UHFFFAOYSA-N -1 3 383.423 3.682 20 0 GHADHM C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@H](c1ccccc1)N(C)C ZINC000480044709 863916613 /nfs/dbraw/zinc/91/66/13/863916613.db2.gz JYEOFKIVVJPGEQ-IUODEOHRSA-N -1 3 387.534 3.501 20 0 GHADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1csc(NC2CC2)n1 ZINC000607053028 864013838 /nfs/dbraw/zinc/01/38/38/864013838.db2.gz SSUMVSLWCZQTFT-UHFFFAOYSA-N -1 3 389.531 3.535 20 0 GHADHM CC(C)CN(C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C1CCN(C)CC1 ZINC000162982880 881724657 /nfs/dbraw/zinc/72/46/57/881724657.db2.gz WFSQFQVEKBRGHE-UHFFFAOYSA-N -1 3 398.551 3.894 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)c(Br)cc1Cl ZINC000475119095 864220047 /nfs/dbraw/zinc/22/00/47/864220047.db2.gz OEAIJZTTYZDRNM-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(Br)cc1Cl ZINC000475119095 864220051 /nfs/dbraw/zinc/22/00/51/864220051.db2.gz OEAIJZTTYZDRNM-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=S(=O)([N-][C@H](Cn1cccn1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000607362905 864345317 /nfs/dbraw/zinc/34/53/17/864345317.db2.gz LWKVUOVOIWGCDD-OAHLLOKOSA-N -1 3 396.299 3.910 20 0 GHADHM FC(F)(F)c1n[n-]c(CNc2nc(-c3cccs3)nc3ccccc32)n1 ZINC000480293377 864427895 /nfs/dbraw/zinc/42/78/95/864427895.db2.gz XTHNVGCONPMMDX-UHFFFAOYSA-N -1 3 376.367 3.529 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccsc1 ZINC000030435315 864430781 /nfs/dbraw/zinc/43/07/81/864430781.db2.gz OKIBPMVLOWQPBP-OAHLLOKOSA-N -1 3 390.933 3.902 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccsc1 ZINC000030435310 864430926 /nfs/dbraw/zinc/43/09/26/864430926.db2.gz OKIBPMVLOWQPBP-HNNXBMFYSA-N -1 3 390.933 3.902 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1OC ZINC000192773746 864495609 /nfs/dbraw/zinc/49/56/09/864495609.db2.gz YWAGHGQFJQWDCH-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000554566654 864576233 /nfs/dbraw/zinc/57/62/33/864576233.db2.gz CPFSZWSDOFLLFM-UHFFFAOYSA-N -1 3 395.438 3.546 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000897124191 864585746 /nfs/dbraw/zinc/58/57/46/864585746.db2.gz DOXALKXIFFJSDP-OAHLLOKOSA-N -1 3 398.409 3.628 20 0 GHADHM COc1cccc([C@@H]2CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CCO2)c1 ZINC000621919539 864596710 /nfs/dbraw/zinc/59/67/10/864596710.db2.gz LLGBQYPBOGHUME-KRWDZBQOSA-N -1 3 381.350 3.633 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc2[nH]ncc21 ZINC000499261675 881782246 /nfs/dbraw/zinc/78/22/46/881782246.db2.gz DGYMIURMDAINKF-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM CC(C)N1CCc2nc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)sc2C1 ZINC000621950520 864624941 /nfs/dbraw/zinc/62/49/41/864624941.db2.gz VRNYZLJVWJJWIU-UHFFFAOYSA-N -1 3 385.411 3.886 20 0 GHADHM C[C@](O)(C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000621956653 864630485 /nfs/dbraw/zinc/63/04/85/864630485.db2.gz SHTOXKHTKRYTEH-AWEZNQCLSA-N -1 3 385.304 3.577 20 0 GHADHM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(OCc2ccccc2C)c1 ZINC000554687969 864744850 /nfs/dbraw/zinc/74/48/50/864744850.db2.gz HKXBXUKQRGCTCW-UHFFFAOYSA-N -1 3 391.489 3.515 20 0 GHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000554690427 864747190 /nfs/dbraw/zinc/74/71/90/864747190.db2.gz WHGNRXZPTDIUAW-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000622104105 864765552 /nfs/dbraw/zinc/76/55/52/864765552.db2.gz NQPRLTITEIXADD-LJQANCHMSA-N -1 3 391.345 3.661 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c(=O)[n-]1 ZINC000622143521 864806610 /nfs/dbraw/zinc/80/66/10/864806610.db2.gz XVVNMKZOCQTSHV-UHFFFAOYSA-N -1 3 380.275 3.623 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(O[C@@H](C)c3ccccc3)ccn2)c(=O)[n-]1 ZINC000622161253 864817702 /nfs/dbraw/zinc/81/77/02/864817702.db2.gz QWHQETPUAHATKI-HNNXBMFYSA-N -1 3 392.459 3.905 20 0 GHADHM Cc1cc(C=C(C#N)C(=O)NN=c2cccn[n-]2)c(C)n1-c1cccc(Cl)c1 ZINC000184780847 864935487 /nfs/dbraw/zinc/93/54/87/864935487.db2.gz ZJXZRCQOZSFIEH-MHWRWJLKSA-N -1 3 392.850 3.588 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622360276 864950680 /nfs/dbraw/zinc/95/06/80/864950680.db2.gz VSCBOCCLEZYFLP-ZDUSSCGKSA-N -1 3 386.320 3.698 20 0 GHADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)ccc1[O-] ZINC000622373914 864953229 /nfs/dbraw/zinc/95/32/29/864953229.db2.gz ZWULGMPRFXFXLQ-OAHLLOKOSA-N -1 3 382.357 3.554 20 0 GHADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000480621469 864985905 /nfs/dbraw/zinc/98/59/05/864985905.db2.gz DMCLUVLDQFBYMS-INIZCTEOSA-N -1 3 385.888 3.795 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000735874154 865019694 /nfs/dbraw/zinc/01/96/94/865019694.db2.gz IEBDEGAVUDIDIM-SJORKVTESA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000735874154 865019708 /nfs/dbraw/zinc/01/97/08/865019708.db2.gz IEBDEGAVUDIDIM-SJORKVTESA-N -1 3 397.429 3.686 20 0 GHADHM O=C(NCCN1CCc2c(Cl)cccc2C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622546136 865053221 /nfs/dbraw/zinc/05/32/21/865053221.db2.gz IRJGLKSCFOPHBP-UHFFFAOYSA-N -1 3 398.812 3.853 20 0 GHADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000554928782 865188215 /nfs/dbraw/zinc/18/82/15/865188215.db2.gz RNVBEHKODLPNHF-KBPBESRZSA-N -1 3 380.535 3.682 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736377625 865194465 /nfs/dbraw/zinc/19/44/65/865194465.db2.gz PJSQXFHBEBSMTB-BXUZGUMPSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736377625 865194475 /nfs/dbraw/zinc/19/44/75/865194475.db2.gz PJSQXFHBEBSMTB-BXUZGUMPSA-N -1 3 389.525 3.729 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000828198201 865234938 /nfs/dbraw/zinc/23/49/38/865234938.db2.gz SUILWEHNBSPYGR-UHFFFAOYSA-N -1 3 388.265 3.631 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000608359903 865256704 /nfs/dbraw/zinc/25/67/04/865256704.db2.gz WSIVWTBVIBLGNG-HZPDHXFCSA-N -1 3 395.846 3.665 20 0 GHADHM CCc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000736683146 865265578 /nfs/dbraw/zinc/26/55/78/865265578.db2.gz NQJUMMCGFPMPAV-UHFFFAOYSA-N -1 3 381.505 3.941 20 0 GHADHM CCc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000736683146 865265592 /nfs/dbraw/zinc/26/55/92/865265592.db2.gz NQJUMMCGFPMPAV-UHFFFAOYSA-N -1 3 381.505 3.941 20 0 GHADHM O=C(OCc1cc(=O)c([O-])co1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000736736182 865270873 /nfs/dbraw/zinc/27/08/73/865270873.db2.gz ZWWCOKGTFGHIBM-UHFFFAOYSA-N -1 3 384.986 3.711 20 0 GHADHM COc1ccc(-c2ccc(C(=O)OCc3cc(=O)c([O-])co3)c(F)c2)c(F)c1 ZINC000736818648 865297123 /nfs/dbraw/zinc/29/71/23/865297123.db2.gz KYUPRBYVPSJDJM-UHFFFAOYSA-N -1 3 388.322 3.656 20 0 GHADHM Cc1nc(-c2ccc(NCc3ccc(-n4ccnc4)c(F)c3)nc2)[n-]c(=O)c1C ZINC000301364559 865312628 /nfs/dbraw/zinc/31/26/28/865312628.db2.gz NDABDUQOXHBQSO-UHFFFAOYSA-N -1 3 390.422 3.798 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000737024455 865348370 /nfs/dbraw/zinc/34/83/70/865348370.db2.gz IDRITXSBBFTVCX-STQMWFEESA-N -1 3 376.844 3.651 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000737024455 865348385 /nfs/dbraw/zinc/34/83/85/865348385.db2.gz IDRITXSBBFTVCX-STQMWFEESA-N -1 3 376.844 3.651 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000737048383 865358609 /nfs/dbraw/zinc/35/86/09/865358609.db2.gz ZQBAQKPWPWBWEG-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000737048383 865358623 /nfs/dbraw/zinc/35/86/23/865358623.db2.gz ZQBAQKPWPWBWEG-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000737761700 865429072 /nfs/dbraw/zinc/42/90/72/865429072.db2.gz XJXVRXKRRCDDHF-CYBMUJFWSA-N -1 3 380.897 3.674 20 0 GHADHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1OC ZINC000737866925 865449821 /nfs/dbraw/zinc/44/98/21/865449821.db2.gz FVPPSBKPAHELBV-PIGZYNQJSA-N -1 3 379.840 3.842 20 0 GHADHM Cc1ccc(CCOC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737337702 865468474 /nfs/dbraw/zinc/46/84/74/865468474.db2.gz OVNMOIXPPQZMPM-UHFFFAOYSA-N -1 3 380.448 3.510 20 0 GHADHM Cc1ccc(CCOC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737337702 865468480 /nfs/dbraw/zinc/46/84/80/865468480.db2.gz OVNMOIXPPQZMPM-UHFFFAOYSA-N -1 3 380.448 3.510 20 0 GHADHM CC(=C([O-])c1cnc2[nH]cccc1-2)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000555097331 865488836 /nfs/dbraw/zinc/48/88/36/865488836.db2.gz NOAXOBZAOIMXFC-VIFPVBQESA-N -1 3 383.256 3.915 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2ccccc2)c1Cl ZINC000480916002 865502357 /nfs/dbraw/zinc/50/23/57/865502357.db2.gz SDTWDODOQNGMBJ-NSHDSACASA-N -1 3 387.288 3.607 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N(Cc1ccccc1)C1CC1 ZINC000738295370 865523980 /nfs/dbraw/zinc/52/39/80/865523980.db2.gz WOHJVRQUGDUSCE-UHFFFAOYSA-N -1 3 388.467 3.621 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1F ZINC000738367140 865548031 /nfs/dbraw/zinc/54/80/31/865548031.db2.gz QVHJQVVSJKVUJD-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCC1)c1cnc(Cl)c(Cl)c1 ZINC000738365466 865548222 /nfs/dbraw/zinc/54/82/22/865548222.db2.gz JIDUSDIKUASIKV-UHFFFAOYSA-N -1 3 375.252 3.885 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1OCc1cn2ccccc2n1 ZINC000738553054 865554491 /nfs/dbraw/zinc/55/44/91/865554491.db2.gz YCKZPLRLRTVQCY-UHFFFAOYSA-N -1 3 391.402 3.688 20 0 GHADHM CC(C)=CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000480989340 865643421 /nfs/dbraw/zinc/64/34/21/865643421.db2.gz OLAXDMRLFUBLTF-UHFFFAOYSA-N -1 3 376.453 3.713 20 0 GHADHM CC(C)=CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000481006880 865684092 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CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)s2)c([O-])c1 ZINC000535541231 868941707 /nfs/dbraw/zinc/94/17/07/868941707.db2.gz BVDUHCZGZJDPDN-UHFFFAOYSA-N -1 3 398.440 3.953 20 0 GHADHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cc(F)ccc1F ZINC000744727195 869031270 /nfs/dbraw/zinc/03/12/70/869031270.db2.gz YJTPAIWCLQKSRF-SJKOYZFVSA-N -1 3 375.371 3.579 20 0 GHADHM Cc1cc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)n2)c(C)o1 ZINC000445833117 869045098 /nfs/dbraw/zinc/04/50/98/869045098.db2.gz JWEUXENUOYHONV-UHFFFAOYSA-N -1 3 393.440 3.829 20 0 GHADHM O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857437044 882264481 /nfs/dbraw/zinc/26/44/81/882264481.db2.gz OGDQHZGYIMCDGD-UHFFFAOYSA-N -1 3 393.287 3.667 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000462263711 869136695 /nfs/dbraw/zinc/13/66/95/869136695.db2.gz ZFCTXZCVNNWJDP-IINYFYTJSA-N -1 3 395.324 3.957 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cc(F)ccc1Cl ZINC000462298586 869191326 /nfs/dbraw/zinc/19/13/26/869191326.db2.gz NVHZFNVDFARVAB-GFCCVEGCSA-N -1 3 377.771 3.559 20 0 GHADHM COc1nc(C)c(Br)cc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000446010143 869256438 /nfs/dbraw/zinc/25/64/38/869256438.db2.gz GHYGQZBXLADSPU-UHFFFAOYSA-N -1 3 376.210 3.892 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462346056 869266491 /nfs/dbraw/zinc/26/64/91/869266491.db2.gz MNXIBRBHWOQMRA-UWVGGRQHSA-N -1 3 384.386 3.772 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(C)(C)c1ccccc1 ZINC000462359511 869288599 /nfs/dbraw/zinc/28/85/99/869288599.db2.gz NSUBAKZUAAUCPV-HNNXBMFYSA-N -1 3 381.519 3.569 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)s1 ZINC000462481970 869522567 /nfs/dbraw/zinc/52/25/67/869522567.db2.gz UKVZOLSYFPRRMU-VIFPVBQESA-N -1 3 378.313 3.712 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cc1[O-] ZINC000745652714 869722586 /nfs/dbraw/zinc/72/25/86/869722586.db2.gz LYDCCNKZNJJZOA-NSHDSACASA-N -1 3 383.360 3.539 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC(=O)OC(C)(C)C ZINC000745940566 869883485 /nfs/dbraw/zinc/88/34/85/869883485.db2.gz COIUEQKVQXCJOV-UHFFFAOYSA-N -1 3 396.962 3.763 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000745937747 869896855 /nfs/dbraw/zinc/89/68/55/869896855.db2.gz OWGWUKSGYPLACX-UHFFFAOYSA-N -1 3 397.324 3.575 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1 ZINC000462700575 869916565 /nfs/dbraw/zinc/91/65/65/869916565.db2.gz JATBPBUYFURBIE-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C2CC2)C1 ZINC000525074870 869985896 /nfs/dbraw/zinc/98/58/96/869985896.db2.gz YJGJVFWRDPHWNB-UHFFFAOYSA-N -1 3 379.504 3.977 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)cc1F ZINC000122004777 882375946 /nfs/dbraw/zinc/37/59/46/882375946.db2.gz WYOYLEDXYYTCAA-DNVCBOLYSA-N -1 3 381.444 3.719 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184179083 870185134 /nfs/dbraw/zinc/18/51/34/870185134.db2.gz LEYTXYMXQPWQQQ-AWEZNQCLSA-N -1 3 378.394 3.546 20 0 GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000185398131 870208293 /nfs/dbraw/zinc/20/82/93/870208293.db2.gz IYSBSVAEHWGSAZ-UHFFFAOYSA-N -1 3 394.306 3.603 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)cc1 ZINC000525239199 870232169 /nfs/dbraw/zinc/23/21/69/870232169.db2.gz KKKAMJRPFOTOBE-UHFFFAOYSA-N -1 3 391.489 3.770 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@H](C)c3ccc(OC)cc3)nc2)n1 ZINC000462886822 870252483 /nfs/dbraw/zinc/25/24/83/870252483.db2.gz VFYHZGSLXOCNKN-HNNXBMFYSA-N -1 3 378.476 3.843 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000525261175 870263880 /nfs/dbraw/zinc/26/38/80/870263880.db2.gz TUNKITQQQZFHMF-ZDUSSCGKSA-N -1 3 381.215 3.521 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(C(=O)c2ccc(C(C)(C)C)cc2[O-])C1 ZINC001192322737 870289199 /nfs/dbraw/zinc/28/91/99/870289199.db2.gz LSXOPSATOLHCIR-NRFANRHFSA-N -1 3 394.487 3.769 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC001192355338 870314347 /nfs/dbraw/zinc/31/43/47/870314347.db2.gz GDTXEUMCQGIVMP-UHFFFAOYSA-N -1 3 379.913 3.830 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(Cl)c1 ZINC001192357543 870317838 /nfs/dbraw/zinc/31/78/38/870317838.db2.gz BARLVFLKBMGGPL-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM O=c1[n-]nc(SCc2ncc(-c3ccccc3F)o2)n1CCc1ccccc1 ZINC000133750706 882400826 /nfs/dbraw/zinc/40/08/26/882400826.db2.gz UJMOINWFATZPEC-UHFFFAOYSA-N -1 3 396.447 3.901 20 0 GHADHM Cc1nc(C)c(CC(=O)OCCCCOc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000920891316 882415542 /nfs/dbraw/zinc/41/55/42/882415542.db2.gz LECBPUCRZDYFSE-UHFFFAOYSA-N -1 3 398.381 3.763 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[O-] ZINC000540132786 870574151 /nfs/dbraw/zinc/57/41/51/870574151.db2.gz IGZVWQHXDQLWIN-CQSZACIVSA-N -1 3 380.366 3.662 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2cc(Br)ccc2Cl)[n-]c1=O ZINC000193266364 870580201 /nfs/dbraw/zinc/58/02/01/870580201.db2.gz LDNPJEPQVLLQME-RMKNXTFCSA-N -1 3 397.656 3.923 20 0 GHADHM Cc1c(C(=O)[N-]c2c3nsnc3ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000181262647 870584096 /nfs/dbraw/zinc/58/40/96/870584096.db2.gz XYLKXRNMNXPLOY-UHFFFAOYSA-N -1 3 393.768 3.722 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1[O-] ZINC001192675208 870594086 /nfs/dbraw/zinc/59/40/86/870594086.db2.gz DEVBIVGFXFATFK-UHFFFAOYSA-N -1 3 379.819 3.974 20 0 GHADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000446871501 870635071 /nfs/dbraw/zinc/63/50/71/870635071.db2.gz NOQYOBSYGWAUIX-JTQLQIEISA-N -1 3 395.307 3.625 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1 ZINC000538789758 870654373 /nfs/dbraw/zinc/65/43/73/870654373.db2.gz PRIYKYBFDPGPNP-UHFFFAOYSA-N -1 3 397.818 3.954 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC001192805425 870684493 /nfs/dbraw/zinc/68/44/93/870684493.db2.gz ICRXUOXYCWMURN-UHFFFAOYSA-N -1 3 388.258 3.960 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001192824047 870699276 /nfs/dbraw/zinc/69/92/76/870699276.db2.gz OYJYPKRNQXRURP-CVEARBPZSA-N -1 3 398.507 3.679 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000538857584 870755605 /nfs/dbraw/zinc/75/56/05/870755605.db2.gz JRFYFURQWIKWDL-UHFFFAOYSA-N -1 3 383.370 3.697 20 0 GHADHM O=C(N[C@@H]1CC12CCCCC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000538893618 870821158 /nfs/dbraw/zinc/82/11/58/870821158.db2.gz WBBTUUYTYJQXRO-MRXNPFEDSA-N -1 3 375.266 3.743 20 0 GHADHM COC(=O)c1cc(F)c([N-]C(=O)c2cc(OC)c(F)c(F)c2F)c(C)c1F ZINC001193053394 870876757 /nfs/dbraw/zinc/87/67/57/870876757.db2.gz FEZRTZFYVCPTTB-UHFFFAOYSA-N -1 3 389.276 3.738 20 0 GHADHM CCN(C(=O)c1ccc(Br)c(=O)[n-]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001193144750 870918435 /nfs/dbraw/zinc/91/84/35/870918435.db2.gz NEKDBZHKHBSZLK-LBPRGKRZSA-N -1 3 393.281 3.652 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1Cl ZINC001193280751 871002529 /nfs/dbraw/zinc/00/25/29/871002529.db2.gz SISQOIHLDHXFIL-LBPRGKRZSA-N -1 3 390.889 3.608 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000463173050 871084298 /nfs/dbraw/zinc/08/42/98/871084298.db2.gz VRKRVZAUROZASN-UHFFFAOYSA-N -1 3 390.362 3.933 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)cc1F ZINC001193547169 871143391 /nfs/dbraw/zinc/14/33/91/871143391.db2.gz GJJQVBMMCRKUOF-UHFFFAOYSA-N -1 3 394.226 3.741 20 0 GHADHM CC(=O)c1cnn(-c2ccc(-c3nc4cc(F)c(F)cc4c(=O)[n-]3)cc2)c1C ZINC000463219241 871216122 /nfs/dbraw/zinc/21/61/22/871216122.db2.gz BHRXLCPKBNKFOU-UHFFFAOYSA-N -1 3 380.354 3.977 20 0 GHADHM COCN1C(=O)CCc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc21 ZINC000793925545 882488067 /nfs/dbraw/zinc/48/80/67/882488067.db2.gz XWKKKXHSDYFJRW-UHFFFAOYSA-N -1 3 376.412 3.681 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)C(F)(F)F)cc2)cc1 ZINC000463243282 871249541 /nfs/dbraw/zinc/24/95/41/871249541.db2.gz NVGBFQXCYXHHCN-LBPRGKRZSA-N -1 3 386.395 3.933 20 0 GHADHM COc1ccccc1-n1nccc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193733927 871252005 /nfs/dbraw/zinc/25/20/05/871252005.db2.gz BMWPOHVYPQMOQU-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM O=C(NC1CCN(c2ncccc2Cl)CC1)c1ccc([O-])cc1C(F)(F)F ZINC001193758358 871297261 /nfs/dbraw/zinc/29/72/61/871297261.db2.gz PEPYOUUPUIORRG-UHFFFAOYSA-N -1 3 399.800 3.858 20 0 GHADHM COc1cccc2c1SC[C@H](NC(=O)c1ccc([O-])cc1C(F)(F)F)C2 ZINC001193759057 871299243 /nfs/dbraw/zinc/29/92/43/871299243.db2.gz KZIYABRHHPIITG-LLVKDONJSA-N -1 3 383.391 3.866 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169287055 871371394 /nfs/dbraw/zinc/37/13/94/871371394.db2.gz FUGLVBJQAWCFSJ-NSHDSACASA-N -1 3 376.404 3.667 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169287055 871371412 /nfs/dbraw/zinc/37/14/12/871371412.db2.gz FUGLVBJQAWCFSJ-NSHDSACASA-N -1 3 376.404 3.667 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1cc(F)c(OC)cc1F ZINC001193958076 871401442 /nfs/dbraw/zinc/40/14/42/871401442.db2.gz ZHCGJSCVZVVCLB-UHFFFAOYSA-N -1 3 392.383 3.930 20 0 GHADHM O=S(=O)(Cc1noc2ccccc12)[N-]c1ccc(Oc2ccccc2)nc1 ZINC001194051594 871466069 /nfs/dbraw/zinc/46/60/69/871466069.db2.gz HTMQUPVKSMBRJW-UHFFFAOYSA-N -1 3 381.413 3.957 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(C(=O)Nc4cccnc4)cc3)n[n-]2)o1 ZINC000921034512 882519723 /nfs/dbraw/zinc/51/97/23/882519723.db2.gz VQGFNFNGVKDELN-UHFFFAOYSA-N -1 3 388.383 3.845 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(C(=O)Nc4cccnc4)cc3)[n-]n2)o1 ZINC000921034512 882519726 /nfs/dbraw/zinc/51/97/26/882519726.db2.gz VQGFNFNGVKDELN-UHFFFAOYSA-N -1 3 388.383 3.845 20 0 GHADHM CC[C@]1(C)Oc2ccc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)cc2O1 ZINC000540567836 871566533 /nfs/dbraw/zinc/56/65/33/871566533.db2.gz VGQCNLWGFONFDS-OAQYLSRUSA-N -1 3 398.390 3.826 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000539239395 871577496 /nfs/dbraw/zinc/57/74/96/871577496.db2.gz LWRZNUISSHBFIU-UHFFFAOYSA-N -1 3 384.457 3.608 20 0 GHADHM CCOC(=O)C(=Cc1cc(F)ccc1F)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000103250171 871582594 /nfs/dbraw/zinc/58/25/94/871582594.db2.gz PFWAMAGWEXEJFT-MDWZMJQESA-N -1 3 390.411 3.983 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c(F)c1 ZINC001194244496 871584026 /nfs/dbraw/zinc/58/40/26/871584026.db2.gz NYVPCLDVVRHOEB-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM Cc1cc(Br)c(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1Cl ZINC001194299839 871606862 /nfs/dbraw/zinc/60/68/62/871606862.db2.gz IGDPIHUPRMXSQK-UHFFFAOYSA-N -1 3 386.677 3.879 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)cc1OC ZINC000181945361 871676864 /nfs/dbraw/zinc/67/68/64/871676864.db2.gz TVZSGGDFAVQCCF-SFHVURJKSA-N -1 3 381.428 3.853 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001169621305 871683348 /nfs/dbraw/zinc/68/33/48/871683348.db2.gz ISHQJYQMEYSRPP-VXGBXAGGSA-N -1 3 390.285 3.784 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001169621305 871683360 /nfs/dbraw/zinc/68/33/60/871683360.db2.gz ISHQJYQMEYSRPP-VXGBXAGGSA-N -1 3 390.285 3.784 20 0 GHADHM O=S(=O)(c1ccccc1)n1ccc2ccc(NCc3ncccc3[O-])cc21 ZINC001169733234 871829518 /nfs/dbraw/zinc/82/95/18/871829518.db2.gz QWSNPHJJFFWIFY-UHFFFAOYSA-N -1 3 379.441 3.591 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(N2CCSCC2)c(F)c1 ZINC001194645212 871850259 /nfs/dbraw/zinc/85/02/59/871850259.db2.gz ZVEZMHRZURIDHJ-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM O=C(Nc1ccc2cnn([C@H]3CCCCO3)c2c1)c1cnc(C(F)(F)F)[n-]1 ZINC001194782330 871928448 /nfs/dbraw/zinc/92/84/48/871928448.db2.gz OXBYISPUKLTTCN-CQSZACIVSA-N -1 3 379.342 3.730 20 0 GHADHM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccn1)c1cnc(C(F)(F)F)[n-]1 ZINC001194783312 871930857 /nfs/dbraw/zinc/93/08/57/871930857.db2.gz KZZHJXPIWLVESL-UHFFFAOYSA-N -1 3 394.740 3.960 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2cnc(C(F)(F)F)[n-]2)n(-c2cccnc2)n1 ZINC001194773175 871953645 /nfs/dbraw/zinc/95/36/45/871953645.db2.gz OFWPYKLUSOTUFE-UHFFFAOYSA-N -1 3 378.358 3.559 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000552069124 871976178 /nfs/dbraw/zinc/97/61/78/871976178.db2.gz CIKBHLXCDPQWJU-UHFFFAOYSA-N -1 3 389.080 3.961 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)ccc2Br)c(C)c1C ZINC001194839180 871984289 /nfs/dbraw/zinc/98/42/89/871984289.db2.gz QXPAZYUSMLFEMU-UHFFFAOYSA-N -1 3 399.310 3.887 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CCC3)c(C)c1C ZINC001194863837 871994711 /nfs/dbraw/zinc/99/47/11/871994711.db2.gz HFWLXBFXUFVCIA-UHFFFAOYSA-N -1 3 388.489 3.696 20 0 GHADHM Cc1occc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000618832780 872036496 /nfs/dbraw/zinc/03/64/96/872036496.db2.gz IZQMKHPDILBLDN-UHFFFAOYSA-N -1 3 398.484 3.936 20 0 GHADHM CCc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cnn1-c1ccccc1 ZINC000526072237 872046420 /nfs/dbraw/zinc/04/64/20/872046420.db2.gz HMFIJYAQTQWLCY-UHFFFAOYSA-N -1 3 390.418 3.976 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC2(CCC2)CO1)c1ccc(Cl)cc1C(F)(F)F ZINC001194960684 872056996 /nfs/dbraw/zinc/05/69/96/872056996.db2.gz WTLMRFPAUKQAQD-NSHDSACASA-N -1 3 383.819 3.596 20 0 GHADHM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000618862237 872061330 /nfs/dbraw/zinc/06/13/30/872061330.db2.gz SMNVWMLZUKSELW-KRWDZBQOSA-N -1 3 376.453 3.545 20 0 GHADHM O=c1[nH]cc(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)c2ccccc12 ZINC001194984603 872087629 /nfs/dbraw/zinc/08/76/29/872087629.db2.gz RCBGRXWVCOJPHM-UHFFFAOYSA-N -1 3 397.481 3.542 20 0 GHADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1ncc(Br)s1 ZINC001195054655 872131759 /nfs/dbraw/zinc/13/17/59/872131759.db2.gz QAQBBZCXNSQWTJ-UHFFFAOYSA-N -1 3 375.269 3.705 20 0 GHADHM CN(Cc1ccccc1NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccccc1 ZINC000447697324 872140807 /nfs/dbraw/zinc/14/08/07/872140807.db2.gz DYCBLRPTTNQSLM-UHFFFAOYSA-N -1 3 387.443 3.563 20 0 GHADHM O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000526114855 872152592 /nfs/dbraw/zinc/15/25/92/872152592.db2.gz YHMDNHOPZMRPQE-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM COc1cccc(-n2c(NC(=O)c3cccc4n[n-]nc43)nc3ccccc32)c1 ZINC000526114931 872152882 /nfs/dbraw/zinc/15/28/82/872152882.db2.gz MSHCYJZDFILGKV-UHFFFAOYSA-N -1 3 384.399 3.558 20 0 GHADHM CC(C)CN1CC[C@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271915843 872154399 /nfs/dbraw/zinc/15/43/99/872154399.db2.gz VGNFIVMRRMVUIC-HXUWFJFHSA-N -1 3 378.900 3.546 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cscc1Br)c1c(F)cccc1F ZINC001195087131 872164793 /nfs/dbraw/zinc/16/47/93/872164793.db2.gz XRXCNIQUTRWOSH-SSDOTTSWSA-N -1 3 382.251 3.828 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1csc(-c2cnccn2)n1 ZINC000477983138 872274727 /nfs/dbraw/zinc/27/47/27/872274727.db2.gz ADXSXKCPBNCDCR-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCCC[C@H]3C[C@@H](C)O)cc2)cc(=O)[n-]1 ZINC000552241045 872291332 /nfs/dbraw/zinc/29/13/32/872291332.db2.gz ONJJOBCFMKYJJY-KDOFPFPSSA-N -1 3 384.480 3.705 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)nc1Br ZINC001195276514 872301841 /nfs/dbraw/zinc/30/18/41/872301841.db2.gz KSVBSGQHQSXPNE-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000526959030 872358035 /nfs/dbraw/zinc/35/80/35/872358035.db2.gz AZJLMAYLRAXYFC-KRWDZBQOSA-N -1 3 398.488 3.846 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526960325 872363260 /nfs/dbraw/zinc/36/32/60/872363260.db2.gz WXTSRQGKZKCIIL-CYBMUJFWSA-N -1 3 390.802 3.691 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000775652075 872380992 /nfs/dbraw/zinc/38/09/92/872380992.db2.gz DVOJGBVFJGNSEI-XJKSGUPXSA-N -1 3 379.457 3.852 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000775652075 872381006 /nfs/dbraw/zinc/38/10/06/872381006.db2.gz DVOJGBVFJGNSEI-XJKSGUPXSA-N -1 3 379.457 3.852 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2sccc21)c1cc(Br)ccc1F ZINC001195511293 872462190 /nfs/dbraw/zinc/46/21/90/872462190.db2.gz URTMDPDRRLGXJP-LLVKDONJSA-N -1 3 376.272 3.616 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000527042761 872525541 /nfs/dbraw/zinc/52/55/41/872525541.db2.gz ZQTUZXGINILWOU-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H]1c1ccccc1Br ZINC001195762805 872622374 /nfs/dbraw/zinc/62/23/74/872622374.db2.gz GIBKYEKAPVJPAV-MRXNPFEDSA-N -1 3 382.279 3.681 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000767589275 872651446 /nfs/dbraw/zinc/65/14/46/872651446.db2.gz CMQRKVOZSUDCAE-SJKOYZFVSA-N -1 3 377.437 3.911 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)cnc1Cl ZINC000767724854 872789522 /nfs/dbraw/zinc/78/95/22/872789522.db2.gz QZVNNBSQIBWUHY-VIFPVBQESA-N -1 3 394.802 3.802 20 0 GHADHM CCc1cc(=O)[n-]c(CN2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC001196005826 872805103 /nfs/dbraw/zinc/80/51/03/872805103.db2.gz OIFAHXYDEVIRRE-QGZVFWFLSA-N -1 3 398.507 3.591 20 0 GHADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000742220907 872839015 /nfs/dbraw/zinc/83/90/15/872839015.db2.gz CXSPYUXOUYEDJQ-CSKARUKUSA-N -1 3 399.491 3.776 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccccc4OC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000541077832 872863993 /nfs/dbraw/zinc/86/39/93/872863993.db2.gz ASIQFRHXKINLCU-AWEZNQCLSA-N -1 3 390.443 3.973 20 0 GHADHM Cc1cc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)c(C)n1C[C@H]1CCCO1 ZINC000163112468 872923545 /nfs/dbraw/zinc/92/35/45/872923545.db2.gz JFYSZSYLCBXRTE-CYBMUJFWSA-N -1 3 395.492 3.817 20 0 GHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H]1CCC(C)(C)C1 ZINC000794275119 882666661 /nfs/dbraw/zinc/66/66/61/882666661.db2.gz MXMPFSGQRVYQFH-CQSZACIVSA-N -1 3 384.517 3.553 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3nc(C)ccc3c2)cc1OC ZINC000448149577 872957406 /nfs/dbraw/zinc/95/74/06/872957406.db2.gz XYBMSWDXSPYDIP-UHFFFAOYSA-N -1 3 399.472 3.566 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2OC(F)(F)F)c1ccc(Cl)cn1 ZINC001196257922 872974720 /nfs/dbraw/zinc/97/47/20/872974720.db2.gz HRUQJPVHCGULRK-LBPRGKRZSA-N -1 3 392.786 3.599 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1Cl)c1ccc(Cl)cn1 ZINC001196258361 872974869 /nfs/dbraw/zinc/97/48/69/872974869.db2.gz MKDMZFXDKFIHSJ-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1ccc(Cl)cn1 ZINC001196266919 872979167 /nfs/dbraw/zinc/97/91/67/872979167.db2.gz WWBMBOUVSRKDBK-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM CCOc1ccc(F)c([N-]C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)c1F ZINC000448191737 873011012 /nfs/dbraw/zinc/01/10/12/873011012.db2.gz VFOVDRBKYZXKHB-UHFFFAOYSA-N -1 3 376.338 3.644 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1ccc3cc(Cl)ccc3c1)C(=O)N2 ZINC001196441983 873089553 /nfs/dbraw/zinc/08/95/53/873089553.db2.gz JXOJKVHFUOWDBC-SFHVURJKSA-N -1 3 386.860 3.773 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(Cl)nnc1Cl ZINC001196522650 873160592 /nfs/dbraw/zinc/16/05/92/873160592.db2.gz KZBGVRFGQBPJRV-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM O=C(Nc1ncccc1[O-])c1c(Br)ccc(Br)c1F ZINC001196787877 873361127 /nfs/dbraw/zinc/36/11/27/873361127.db2.gz TZADQIIDCHCNDP-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000768553856 873382317 /nfs/dbraw/zinc/38/23/17/873382317.db2.gz JWGFSENJJBCQEC-KRWDZBQOSA-N -1 3 376.771 3.819 20 0 GHADHM CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000768553856 873382330 /nfs/dbraw/zinc/38/23/30/873382330.db2.gz JWGFSENJJBCQEC-KRWDZBQOSA-N -1 3 376.771 3.819 20 0 GHADHM CN1CCO[C@@H]([C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)C1 ZINC000494629225 882717319 /nfs/dbraw/zinc/71/73/19/882717319.db2.gz BZZILKWBXGUJEK-MSOLQXFVSA-N -1 3 395.286 3.501 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000768606853 873440919 /nfs/dbraw/zinc/44/09/19/873440919.db2.gz RSGYQRIQBOKVEO-CQSZACIVSA-N -1 3 392.377 3.999 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000127454153 882725960 /nfs/dbraw/zinc/72/59/60/882725960.db2.gz DDBPHECCEQKCSW-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000127454153 882725973 /nfs/dbraw/zinc/72/59/73/882725973.db2.gz DDBPHECCEQKCSW-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM CC(C)c1[nH]nc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)c1Br ZINC000448491117 873476048 /nfs/dbraw/zinc/47/60/48/873476048.db2.gz FXOHCHCBMHGICQ-UHFFFAOYSA-N -1 3 393.216 3.764 20 0 GHADHM [O-]c1ccc(I)cc1NC(=S)Nc1ccc(F)cc1 ZINC001196947964 873492752 /nfs/dbraw/zinc/49/27/52/873492752.db2.gz JSWATLDBSZXUCS-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134142016 882755121 /nfs/dbraw/zinc/75/51/21/882755121.db2.gz YLPRVCMPGVLUSF-UHFFFAOYSA-N -1 3 378.350 3.941 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1Cl ZINC000448689705 873811917 /nfs/dbraw/zinc/81/19/17/873811917.db2.gz IISDQPHRCHAWPY-UHFFFAOYSA-N -1 3 378.831 3.848 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)cc2)CC1 ZINC000769247187 873922689 /nfs/dbraw/zinc/92/26/89/873922689.db2.gz FBGNVNMCSSDFDN-UHFFFAOYSA-N -1 3 382.489 3.511 20 0 GHADHM COc1ccc(-n2cccc2)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC001197600483 873934171 /nfs/dbraw/zinc/93/41/71/873934171.db2.gz PCPHSDUKYKLSAC-UHFFFAOYSA-N -1 3 378.400 3.706 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)c2C1 ZINC000541588997 873935418 /nfs/dbraw/zinc/93/54/18/873935418.db2.gz RIUOJUOJYZVGEK-HNNXBMFYSA-N -1 3 386.517 3.927 20 0 GHADHM CC1(C)CC(=O)Nc2cc([N-]S(=O)(=O)Cc3c(F)cccc3F)ccc21 ZINC001197602628 873936757 /nfs/dbraw/zinc/93/67/57/873936757.db2.gz DLGNJIXVHFRNOA-UHFFFAOYSA-N -1 3 380.416 3.527 20 0 GHADHM CCCCC[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769320310 873963653 /nfs/dbraw/zinc/96/36/53/873963653.db2.gz YNVZKISVPJEZOJ-INIZCTEOSA-N -1 3 384.517 3.697 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c(OC)c1 ZINC001197750607 874027275 /nfs/dbraw/zinc/02/72/75/874027275.db2.gz TUEGUWXUKDVVKH-UHFFFAOYSA-N -1 3 376.261 3.953 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3ccoc3C3(O)CCOCC3)s2)c(C)c1 ZINC000825554185 882787238 /nfs/dbraw/zinc/78/72/38/882787238.db2.gz LQXQZWOXPYFTGT-UHFFFAOYSA-N -1 3 399.472 3.665 20 0 GHADHM O=c1cc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)nc(-c2ccccc2)[n-]1 ZINC000858050058 882789128 /nfs/dbraw/zinc/78/91/28/882789128.db2.gz CBFODANNVDECLE-FQEVSTJZSA-N -1 3 388.471 3.775 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804406726 882792557 /nfs/dbraw/zinc/79/25/57/882792557.db2.gz NYUCJAYALNWYBU-DEOSSOPVSA-N -1 3 398.462 3.904 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccco1 ZINC000508876381 874096321 /nfs/dbraw/zinc/09/63/21/874096321.db2.gz DGHISSVFZYKVOL-LBPRGKRZSA-N -1 3 396.818 3.533 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H](F)c1ccccc1 ZINC000769571031 874164945 /nfs/dbraw/zinc/16/49/45/874164945.db2.gz MVOHFMTUGUEWQV-AWEZNQCLSA-N -1 3 390.358 3.726 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000448901234 874169377 /nfs/dbraw/zinc/16/93/77/874169377.db2.gz PPJLRNCOSKJJNU-UHFFFAOYSA-N -1 3 385.464 3.731 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000541724924 874172387 /nfs/dbraw/zinc/17/23/87/874172387.db2.gz NDRQCOMGCNRISY-NWDGAFQWSA-N -1 3 381.457 3.522 20 0 GHADHM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448917705 874206378 /nfs/dbraw/zinc/20/63/78/874206378.db2.gz LWFIONRJQFHCTM-CMPLNLGQSA-N -1 3 378.416 3.842 20 0 GHADHM CCC(C)(C)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769653669 874216694 /nfs/dbraw/zinc/21/66/94/874216694.db2.gz PJGYJWRVGURWLJ-UHFFFAOYSA-N -1 3 386.448 3.580 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000448956203 874254223 /nfs/dbraw/zinc/25/42/23/874254223.db2.gz NZVFHIXIRCTQNJ-INIZCTEOSA-N -1 3 394.849 3.647 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000769740073 874276128 /nfs/dbraw/zinc/27/61/28/874276128.db2.gz AHGHHTWCIOCQOO-YOEHRIQHSA-N -1 3 376.497 3.863 20 0 GHADHM COC[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccc(Br)c1 ZINC000828106503 882813445 /nfs/dbraw/zinc/81/34/45/882813445.db2.gz OBRBCZFPENZJJQ-LLVKDONJSA-N -1 3 391.237 3.501 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000769847627 874323293 /nfs/dbraw/zinc/32/32/93/874323293.db2.gz WYSLIADICJOHNB-ZDUSSCGKSA-N -1 3 383.395 3.548 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnccc3c2Br)cn1 ZINC001198317526 874348618 /nfs/dbraw/zinc/34/86/18/874348618.db2.gz KWXZAENBAAUVQD-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(C)nc2)c(Br)cc1Cl ZINC001198317151 874349754 /nfs/dbraw/zinc/34/97/54/874349754.db2.gz DQJIFODSPRVTSO-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H](C)S1 ZINC000541877505 874451524 /nfs/dbraw/zinc/45/15/24/874451524.db2.gz DLVNIAISACKXSA-YRNRMSPPSA-N -1 3 398.528 3.606 20 0 GHADHM COc1cc(OC)cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000004485775 874457230 /nfs/dbraw/zinc/45/72/30/874457230.db2.gz ICWRUFYQQINXDY-SNVBAGLBSA-N -1 3 388.445 3.537 20 0 GHADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccsc1 ZINC000669919546 874573553 /nfs/dbraw/zinc/57/35/53/874573553.db2.gz WEPVHIRLBCLJJF-LLVKDONJSA-N -1 3 393.465 3.507 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1ccc(Br)s1 ZINC000528499575 874636820 /nfs/dbraw/zinc/63/68/20/874636820.db2.gz OLKCAQMCNJNNLV-AWEZNQCLSA-N -1 3 387.324 3.725 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000775929072 874788696 /nfs/dbraw/zinc/78/86/96/874788696.db2.gz IQUQTYZYDALQSF-CYBMUJFWSA-N -1 3 388.851 3.830 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CCC)c(Cl)cc1Cl ZINC000745780684 874800445 /nfs/dbraw/zinc/80/04/45/874800445.db2.gz XFKLHAZEKZEZCP-NSHDSACASA-N -1 3 395.352 3.942 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000770707382 874844593 /nfs/dbraw/zinc/84/45/93/874844593.db2.gz YHENELNPMYLDAR-ZDUSSCGKSA-N -1 3 392.290 3.598 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c(=O)[n-]1 ZINC000476700605 882886564 /nfs/dbraw/zinc/88/65/64/882886564.db2.gz QJHRPBKLFSGXBB-UHFFFAOYSA-N -1 3 386.452 3.941 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000528804283 875081954 /nfs/dbraw/zinc/08/19/54/875081954.db2.gz LTFOQMUNSGXNMQ-QGZVFWFLSA-N -1 3 390.277 3.629 20 0 GHADHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc([O-])cc(Br)c1 ZINC000528958333 875345477 /nfs/dbraw/zinc/34/54/77/875345477.db2.gz GOYYNKMMIVLMFB-DYVFJYSZSA-N -1 3 376.250 3.662 20 0 GHADHM [O-]c1cnc(NC(=S)Nc2ccc(-n3cccn3)cc2)c(Br)c1 ZINC001200873584 875374343 /nfs/dbraw/zinc/37/43/43/875374343.db2.gz DIYJAZAIGNGPBS-UHFFFAOYSA-N -1 3 390.266 3.544 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000528996162 875417571 /nfs/dbraw/zinc/41/75/71/875417571.db2.gz WSVOABQYHNBWHP-ZDUSSCGKSA-N -1 3 376.250 3.696 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465291221 875458485 /nfs/dbraw/zinc/45/84/85/875458485.db2.gz UGNGKEUHOWRPAB-ZBFHGGJFSA-N -1 3 390.480 3.887 20 0 GHADHM COc1ccc(NC(=S)Nc2ccc(Br)cc2[O-])cc1OC ZINC001201060893 875466912 /nfs/dbraw/zinc/46/69/12/875466912.db2.gz MXTNPFWECSHTRQ-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM Cc1cncc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Br)C2CC2)c1 ZINC001201082298 875514433 /nfs/dbraw/zinc/51/44/33/875514433.db2.gz VVIQLEJVKUDIFB-OAHLLOKOSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1cnc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000771910665 875550333 /nfs/dbraw/zinc/55/03/33/875550333.db2.gz JASMLHRZJZQRJF-GOSISDBHSA-N -1 3 396.468 3.762 20 0 GHADHM O=c1cc[nH]c(Cl)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201346972 875651794 /nfs/dbraw/zinc/65/17/94/875651794.db2.gz BUKQRIJHPOJNEY-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM COc1ccc(CCN(CC(C)C)C(=O)Cc2ccc([O-])c(F)c2)cc1OC ZINC000449911428 875661341 /nfs/dbraw/zinc/66/13/41/875661341.db2.gz IGTBJVCXUVRRKU-UHFFFAOYSA-N -1 3 389.467 3.818 20 0 GHADHM O=C(CC1CC(F)(F)C1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449932442 875666965 /nfs/dbraw/zinc/66/69/65/875666965.db2.gz UHXVVJBDMNZWBL-UHFFFAOYSA-N -1 3 386.826 3.658 20 0 GHADHM O=S(=O)([N-]c1cnnc(Cl)c1Cl)c1ccc(Oc2ccncc2)cc1 ZINC001201599571 875751602 /nfs/dbraw/zinc/75/16/02/875751602.db2.gz KJRXRLBJZDZXSF-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM CC(C)[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H](O)c1ccccc1 ZINC000529216115 875843214 /nfs/dbraw/zinc/84/32/14/875843214.db2.gz GVUSKSPCTNJKSS-DLBZAZTESA-N -1 3 378.266 3.643 20 0 GHADHM Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc([O-])cc3)cs2)cc1 ZINC000005694239 875854944 /nfs/dbraw/zinc/85/49/44/875854944.db2.gz YBVHDAHXFVCXBB-UHFFFAOYSA-N -1 3 382.441 3.695 20 0 GHADHM O=C(Nc1cc2c(cc1Cl)CCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000529288238 875985188 /nfs/dbraw/zinc/98/51/88/875985188.db2.gz VINNFWBTYYXIEF-UHFFFAOYSA-N -1 3 399.878 3.524 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(F)(c2ccccn2)CC1 ZINC000529311653 875997671 /nfs/dbraw/zinc/99/76/71/875997671.db2.gz FPLNWBZHMSHACK-UHFFFAOYSA-N -1 3 379.229 3.651 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc(Cl)c1Br ZINC000491902510 876019987 /nfs/dbraw/zinc/01/99/87/876019987.db2.gz SDBOZBKJQSCIBW-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(OC(F)F)cn3)nc(=O)c2c1C ZINC000772556108 876024043 /nfs/dbraw/zinc/02/40/43/876024043.db2.gz JMZPIOYOGZZIMX-QMMMGPOBSA-N -1 3 395.387 3.928 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1ccc(Br)cc1 ZINC001202336336 876150737 /nfs/dbraw/zinc/15/07/37/876150737.db2.gz MHCCGMHPSSFHTF-UHFFFAOYSA-N -1 3 383.173 3.724 20 0 GHADHM COc1ccc(NC(=O)Nc2ccc([O-])c(I)c2)cc1 ZINC001202395289 876197829 /nfs/dbraw/zinc/19/78/29/876197829.db2.gz WTGWLLLSKLYSCA-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)c2c[nH]c3ccccc23)cnn1-c1ccccc1 ZINC000030600164 876432322 /nfs/dbraw/zinc/43/23/22/876432322.db2.gz BNHRRASQFKJFNE-UHFFFAOYSA-N -1 3 387.443 3.552 20 0 GHADHM [O-]c1cccc(CN2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1Cl ZINC000529662247 876478378 /nfs/dbraw/zinc/47/83/78/876478378.db2.gz PEIIOIMRBNNZSB-UHFFFAOYSA-N -1 3 391.899 3.777 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4CCC(=O)c5cccc3c54)c[n-]c12 ZINC000804561567 883046573 /nfs/dbraw/zinc/04/65/73/883046573.db2.gz LAMSPBQAOSPHQP-GFCCVEGCSA-N -1 3 376.387 3.696 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(Br)c(Cl)c1 ZINC001129640219 883061728 /nfs/dbraw/zinc/06/17/28/883061728.db2.gz ZYTQQHSOCGPRDE-UHFFFAOYSA-N -1 3 382.645 3.729 20 0 GHADHM Cc1cccc(-c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)n2C)c1 ZINC001129613205 883062828 /nfs/dbraw/zinc/06/28/28/883062828.db2.gz PFQXVZDFMSLOIB-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM Cc1cccc(-c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)n2C)c1 ZINC001129613205 883062841 /nfs/dbraw/zinc/06/28/41/883062841.db2.gz PFQXVZDFMSLOIB-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c(C)c1 ZINC000746597164 876837518 /nfs/dbraw/zinc/83/75/18/876837518.db2.gz FVFGOAYKKHZTNC-UHFFFAOYSA-N -1 3 381.404 3.939 20 0 GHADHM O=C([N-]c1nnc(-c2c(Cl)cccc2Cl)s1)c1cn(CC2CC2)nn1 ZINC000530032405 876996847 /nfs/dbraw/zinc/99/68/47/876996847.db2.gz RWKIAVHFXIXXQD-UHFFFAOYSA-N -1 3 395.275 3.766 20 0 GHADHM Cc1ccc([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)cc1C ZINC000850576752 877046028 /nfs/dbraw/zinc/04/60/28/877046028.db2.gz QZGKGJVXOJDVEX-HNNXBMFYSA-N -1 3 386.496 3.675 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc(OC)c1[O-] ZINC000653009412 883091415 /nfs/dbraw/zinc/09/14/15/883091415.db2.gz YOPAOMUYOMEHFS-BZSNNMDCSA-N -1 3 383.444 3.544 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c([O-])c1 ZINC000787108934 877152531 /nfs/dbraw/zinc/15/25/31/877152531.db2.gz KKOOKRCUVAUEPD-AWEZNQCLSA-N -1 3 386.467 3.546 20 0 GHADHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3sccc3Cl)c2)CC1 ZINC000450987738 877157370 /nfs/dbraw/zinc/15/73/70/877157370.db2.gz XVLWQOZUZMZSNS-UHFFFAOYSA-N -1 3 399.969 3.733 20 0 GHADHM CS[C@H](C)CCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551434387 877182836 /nfs/dbraw/zinc/18/28/36/877182836.db2.gz OCGBVEBWWICQFH-SECBINFHSA-N -1 3 394.298 3.968 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC001212265337 877291988 /nfs/dbraw/zinc/29/19/88/877291988.db2.gz YWBQJKBDIYTRIJ-QMMMGPOBSA-N -1 3 382.404 3.903 20 0 GHADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000175191072 877516427 /nfs/dbraw/zinc/51/64/27/877516427.db2.gz VGKRJDDVPVYUTR-LJQANCHMSA-N -1 3 386.467 3.773 20 0 GHADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000551679635 877655586 /nfs/dbraw/zinc/65/55/86/877655586.db2.gz JNDXMHUPSDIOAI-MRVPVSSYSA-N -1 3 392.428 3.554 20 0 GHADHM Cn1ccnc1COc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787844314 877662036 /nfs/dbraw/zinc/66/20/36/877662036.db2.gz IYLCXDVAVVRHGZ-UHFFFAOYSA-N -1 3 398.434 3.910 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847130 877666181 /nfs/dbraw/zinc/66/61/81/877666181.db2.gz XXWYKXVUMYKPAL-ZDUSSCGKSA-N -1 3 377.387 3.872 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2nc3ccccc3cc2C)no1 ZINC001212268634 877673584 /nfs/dbraw/zinc/67/35/84/877673584.db2.gz PJMLQIXYOSDGHP-UHFFFAOYSA-N -1 3 390.399 3.863 20 0 GHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000477516376 877753009 /nfs/dbraw/zinc/75/30/09/877753009.db2.gz KWJDKGVNYACHQX-CYBMUJFWSA-N -1 3 388.272 3.692 20 0 GHADHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2sccc2c([O-])c1 ZINC000788275101 877989882 /nfs/dbraw/zinc/98/98/82/877989882.db2.gz UJXXBFCVOFUWHJ-UHFFFAOYSA-N -1 3 390.411 3.986 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3CCN(c4ccccc4)CC3)nc2)n1 ZINC000530535443 878017174 /nfs/dbraw/zinc/01/71/74/878017174.db2.gz NHPUOPMMMOSCSI-UHFFFAOYSA-N -1 3 389.503 3.557 20 0 GHADHM COc1nnc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)[n-]1 ZINC000537733829 878217123 /nfs/dbraw/zinc/21/71/23/878217123.db2.gz UTWYSOKPWCOFFY-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1nc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n[n-]1 ZINC000537733829 878217141 /nfs/dbraw/zinc/21/71/41/878217141.db2.gz UTWYSOKPWCOFFY-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1n[n-]c(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000537733829 878217160 /nfs/dbraw/zinc/21/71/60/878217160.db2.gz UTWYSOKPWCOFFY-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537742432 878230387 /nfs/dbraw/zinc/23/03/87/878230387.db2.gz JPIYOTLSABEMLB-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000467254094 878342731 /nfs/dbraw/zinc/34/27/31/878342731.db2.gz NWYPXEAUQKDQFF-ACJLOTCBSA-N -1 3 399.248 3.670 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000176695098 878357766 /nfs/dbraw/zinc/35/77/66/878357766.db2.gz IRFQUOXBBMSZFN-HZPDHXFCSA-N -1 3 396.535 3.794 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000068345799 878384338 /nfs/dbraw/zinc/38/43/38/878384338.db2.gz NKGMXQQOUQPMNB-HXUWFJFHSA-N -1 3 382.847 3.915 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCC3=O)cc2)sc1Cl ZINC000788887833 878409847 /nfs/dbraw/zinc/40/98/47/878409847.db2.gz YQXPNUQECFLVAA-LBPRGKRZSA-N -1 3 398.937 3.876 20 0 GHADHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000451750029 878413964 /nfs/dbraw/zinc/41/39/64/878413964.db2.gz SWICTYFXPSKNSU-NWDGAFQWSA-N -1 3 376.881 3.542 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c(Cl)c1 ZINC000530770071 878461489 /nfs/dbraw/zinc/46/14/89/878461489.db2.gz XOWDBXUXYIAJTM-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM O=C(Cc1cn2ccccc2n1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000530798608 878502315 /nfs/dbraw/zinc/50/23/15/878502315.db2.gz JJBUBHSNPVBRHU-UHFFFAOYSA-N -1 3 386.242 3.634 20 0 GHADHM C[C@@H](c1ccccn1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672389 878509322 /nfs/dbraw/zinc/50/93/22/878509322.db2.gz AKFXKXHJKQVTJU-YXJHDRRASA-N -1 3 377.410 3.679 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1Br ZINC000451822071 878529179 /nfs/dbraw/zinc/52/91/79/878529179.db2.gz JGJOCCIPBUIOMI-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM CO[C@H](C)c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1 ZINC000177150612 878578633 /nfs/dbraw/zinc/57/86/33/878578633.db2.gz BAFKDYAUPUQCSB-LLVKDONJSA-N -1 3 399.501 3.565 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000795682939 912366739 /nfs/dbraw/zinc/36/67/39/912366739.db2.gz UBYZUTHZWJHEOF-UHFFFAOYSA-N -1 3 388.489 3.877 20 0 GHADHM CCCn1ccc2ccc([N-]S(=O)(=O)CCOc3ccc(OC)cc3)cc21 ZINC000460834832 878687336 /nfs/dbraw/zinc/68/73/36/878687336.db2.gz ZKCLUWLHNSHRSR-UHFFFAOYSA-N -1 3 388.489 3.881 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)cs1 ZINC000493177793 878695218 /nfs/dbraw/zinc/69/52/18/878695218.db2.gz CZCYVRQKHJPQML-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cnc(C)s1)c1ccc(OC)c(OC)c1 ZINC000460888903 878783640 /nfs/dbraw/zinc/78/36/40/878783640.db2.gz GJODSXUHGGDGGX-UHFFFAOYSA-N -1 3 398.550 3.505 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Oc3ccc(F)cc3)nc2)s1 ZINC000460965871 878878530 /nfs/dbraw/zinc/87/85/30/878878530.db2.gz GAVRYDFNIBSWTR-UHFFFAOYSA-N -1 3 393.465 3.510 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 ZINC000538138476 878880409 /nfs/dbraw/zinc/88/04/09/878880409.db2.gz JZYYNRRDIBTPHH-UHFFFAOYSA-N -1 3 389.452 3.575 20 0 GHADHM CCc1ccc(/C=C\COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000789505757 879024823 /nfs/dbraw/zinc/02/48/23/879024823.db2.gz FLUFEFZKLLVDHK-PLNGDYQASA-N -1 3 377.437 3.630 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000538220997 879039593 /nfs/dbraw/zinc/03/95/93/879039593.db2.gz DYKMFOHAXSRTJG-UHFFFAOYSA-N -1 3 399.454 3.707 20 0 GHADHM O=c1[n-]c(CNC2(c3ccc4c(c3)OCO4)CC2)nc2c3ccccc3oc21 ZINC000538230780 879084327 /nfs/dbraw/zinc/08/43/27/879084327.db2.gz NRRVNSAIOKTVPG-UHFFFAOYSA-N -1 3 375.384 3.589 20 0 GHADHM Cn1cc(C[C@@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)cn1 ZINC000531089926 879105043 /nfs/dbraw/zinc/10/50/43/879105043.db2.gz IEAZACVYFIXVBY-INIZCTEOSA-N -1 3 377.444 3.623 20 0 GHADHM Cc1nc(NC(=O)[C@@H](c2ccc(Br)cc2)C2CCC2)cc(=O)[n-]1 ZINC001183314638 912418687 /nfs/dbraw/zinc/41/86/87/912418687.db2.gz JZJNRFBUCLAPGU-MRXNPFEDSA-N -1 3 376.254 3.776 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616826148 879132961 /nfs/dbraw/zinc/13/29/61/879132961.db2.gz IMMAXEMORYKGHO-HNNXBMFYSA-N -1 3 388.880 3.641 20 0 GHADHM C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1c(Cl)cccc1Cl ZINC000643041318 912425698 /nfs/dbraw/zinc/42/56/98/912425698.db2.gz ZDEDHUOYQNWSNR-SECBINFHSA-N -1 3 394.258 3.632 20 0 GHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000464358206 879213244 /nfs/dbraw/zinc/21/32/44/879213244.db2.gz FWPAIBVZXFQIJH-LURJTMIESA-N -1 3 380.613 3.722 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000853770706 879272122 /nfs/dbraw/zinc/27/21/22/879272122.db2.gz HEPUHOMREQLXMQ-ZWKOTPCHSA-N -1 3 380.847 3.742 20 0 GHADHM CCCCOCCOCc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000111585432 879276924 /nfs/dbraw/zinc/27/69/24/879276924.db2.gz ZRLLAPFKTIJABE-UHFFFAOYSA-N -1 3 395.459 3.509 20 0 GHADHM O=C([N-]CCCSCc1nn(-c2ccccc2)c2c1CCC2)C(F)(F)F ZINC000180784635 879320121 /nfs/dbraw/zinc/32/01/21/879320121.db2.gz YYPXRGIVPJFGFJ-UHFFFAOYSA-N -1 3 383.439 3.663 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H]3C(C)C)c2)cc1 ZINC000538350753 879332505 /nfs/dbraw/zinc/33/25/05/879332505.db2.gz QDISSWITSQJAAP-HXUWFJFHSA-N -1 3 386.517 3.975 20 0 GHADHM O=C(NCc1cccnc1-n1ccnc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746882209 879491535 /nfs/dbraw/zinc/49/15/35/879491535.db2.gz YSMYRUUHODUEHQ-UHFFFAOYSA-N -1 3 386.411 3.695 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(F)c3)nc(=O)c2c1C ZINC000111689811 879523245 /nfs/dbraw/zinc/52/32/45/879523245.db2.gz NKTCVXDHJPNLQY-YRNVUSSQSA-N -1 3 378.812 3.956 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](c2ccncc2)C(C)C)[nH][n-]1 ZINC000493671310 879591410 /nfs/dbraw/zinc/59/14/10/879591410.db2.gz ZKFXUKOCHRGMSJ-IBGZPJMESA-N -1 3 384.867 3.934 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000531396447 879737230 /nfs/dbraw/zinc/73/72/30/879737230.db2.gz UBPUWEWCYFPXEX-CVAIRZPRSA-N -1 3 394.519 3.500 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc2oc(=O)[nH]c2c1 ZINC000493964185 879780776 /nfs/dbraw/zinc/78/07/76/879780776.db2.gz BRLCKKUCNQAJEQ-UHFFFAOYSA-N -1 3 389.198 3.905 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000854471878 879833429 /nfs/dbraw/zinc/83/34/29/879833429.db2.gz WUPDWJBLJYIXBQ-CQSZACIVSA-N -1 3 389.320 3.656 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854582450 879923759 /nfs/dbraw/zinc/92/37/59/879923759.db2.gz HMKFJSJGNWGDOG-UHFFFAOYSA-N -1 3 396.447 3.588 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000452758472 879992732 /nfs/dbraw/zinc/99/27/32/879992732.db2.gz RQCIVZSUYDYFNI-LLVKDONJSA-N -1 3 397.313 3.877 20 0 GHADHM CCOC(=O)c1cc(C(=O)Nc2c([O-])ccc(Br)c2C)[nH]c1C ZINC000452760881 879996973 /nfs/dbraw/zinc/99/69/73/879996973.db2.gz WSWMDPILTIVOHG-UHFFFAOYSA-N -1 3 381.226 3.529 20 0 GHADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000452764842 880002397 /nfs/dbraw/zinc/00/23/97/880002397.db2.gz HWSHOHVTLRJHBT-CABCVRRESA-N -1 3 390.480 3.711 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000247470201 880005487 /nfs/dbraw/zinc/00/54/87/880005487.db2.gz FBDVPDWHKWHFOW-UHFFFAOYSA-N -1 3 379.323 3.946 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000112627593 880052307 /nfs/dbraw/zinc/05/23/07/880052307.db2.gz GPWSXXJYTKTWIX-INIZCTEOSA-N -1 3 390.439 3.660 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000854842085 880090974 /nfs/dbraw/zinc/09/09/74/880090974.db2.gz FHKGFTFZQVFGBI-OAHLLOKOSA-N -1 3 381.501 3.711 20 0 GHADHM CCc1nc2ccc(Cl)cn2c1C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000643181840 912532038 /nfs/dbraw/zinc/53/20/38/912532038.db2.gz OJKKQDIMKQONKA-UHFFFAOYSA-N -1 3 395.850 3.623 20 0 GHADHM Cc1ccc(NC(=O)COC(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000183496253 880115073 /nfs/dbraw/zinc/11/50/73/880115073.db2.gz LPWPNKWIYFHSAN-UHFFFAOYSA-N -1 3 394.468 3.689 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)N2CCCC2)cc1 ZINC000183512373 880116551 /nfs/dbraw/zinc/11/65/51/880116551.db2.gz STTRIIKBFLDTKM-MRXNPFEDSA-N -1 3 378.394 3.685 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000854889726 880121293 /nfs/dbraw/zinc/12/12/93/880121293.db2.gz OSXQOEHRTFREHL-OLZOCXBDSA-N -1 3 380.510 3.537 20 0 GHADHM CSc1cccc(C)c1[N-]C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000184598000 880342311 /nfs/dbraw/zinc/34/23/11/880342311.db2.gz XMLVDBMRCCAEMQ-UHFFFAOYSA-N -1 3 394.518 3.655 20 0 GHADHM O=C(OCCCCCF)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000791614539 880540918 /nfs/dbraw/zinc/54/09/18/880540918.db2.gz YYQIHUGXRLZOQC-UHFFFAOYSA-N -1 3 398.283 3.731 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001183518859 912579346 /nfs/dbraw/zinc/57/93/46/912579346.db2.gz PTJYMJJOEAZLGA-ZIAGYGMSSA-N -1 3 380.485 3.603 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1nccn1C)c1ccccc1 ZINC000531854891 880613751 /nfs/dbraw/zinc/61/37/51/880613751.db2.gz MYMHKOMMVXDDKS-GOSISDBHSA-N -1 3 399.447 3.682 20 0 GHADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccc(Cn3cccn3)o2)s1 ZINC000791878695 880751911 /nfs/dbraw/zinc/75/19/11/880751911.db2.gz UZDWVCIGWXXDBR-UHFFFAOYSA-N -1 3 383.408 3.743 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000791904583 880770417 /nfs/dbraw/zinc/77/04/17/880770417.db2.gz ZKFUDUABXATOTG-UHFFFAOYSA-N -1 3 379.804 3.646 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1c[n-]c2ccccc2c1=O ZINC000186244192 880828287 /nfs/dbraw/zinc/82/82/87/880828287.db2.gz IJFCLRZLDRTFDO-UHFFFAOYSA-N -1 3 381.338 3.930 20 0 GHADHM CC(C)=CCN1CC[C@@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275207943 912626255 /nfs/dbraw/zinc/62/62/55/912626255.db2.gz BTXOTKKFSRFGNB-IBGZPJMESA-N -1 3 393.325 3.688 20 0 GHADHM Cc1nc(S(=O)(=O)[C@H](C)c2cn(-c3ccccc3)nn2)[n-]c1-c1ccccc1 ZINC000186836643 880999366 /nfs/dbraw/zinc/99/93/66/880999366.db2.gz TUWJDQXEXSCMIX-OAHLLOKOSA-N -1 3 393.472 3.501 20 0 GHADHM Cc1[n-]c(S(=O)(=O)[C@H](C)c2cn(-c3ccccc3)nn2)nc1-c1ccccc1 ZINC000186836643 880999373 /nfs/dbraw/zinc/99/93/73/880999373.db2.gz TUWJDQXEXSCMIX-OAHLLOKOSA-N -1 3 393.472 3.501 20 0 GHADHM CCc1ccc([C@H]2CN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CCO2)cc1 ZINC000792359866 881054404 /nfs/dbraw/zinc/05/44/04/881054404.db2.gz BRINHKPBLCHCJP-OAQYLSRUSA-N -1 3 379.456 3.943 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc1[O-] ZINC000856313976 881107604 /nfs/dbraw/zinc/10/76/04/881107604.db2.gz AAKPZVDMUDEMDM-RTBURBONSA-N -1 3 375.852 3.736 20 0 GHADHM COC(=O)Nc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000792483128 881137280 /nfs/dbraw/zinc/13/72/80/881137280.db2.gz RQVKYVLLIPRSPL-UHFFFAOYSA-N -1 3 377.360 3.649 20 0 GHADHM COC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000792483128 881137291 /nfs/dbraw/zinc/13/72/91/881137291.db2.gz RQVKYVLLIPRSPL-UHFFFAOYSA-N -1 3 377.360 3.649 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000919959226 881269680 /nfs/dbraw/zinc/26/96/80/881269680.db2.gz DHBUCBUFUMDZKB-UHFFFAOYSA-N -1 3 392.477 3.706 20 0 GHADHM COc1ccc2c(C)cc3nnc(S[C@@H](C)c4nc(C)cc(=O)[n-]4)n3c2c1 ZINC000134982360 883151168 /nfs/dbraw/zinc/15/11/68/883151168.db2.gz NPBCISDSJYZPRS-LBPRGKRZSA-N -1 3 381.461 3.857 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1cccc2ccccc21 ZINC000195341731 883288475 /nfs/dbraw/zinc/28/84/75/883288475.db2.gz ZLWRCCIPKBWMMH-UHFFFAOYSA-N -1 3 398.466 3.543 20 0 GHADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000476924851 883408385 /nfs/dbraw/zinc/40/83/85/883408385.db2.gz PEAUJNCKODHTMS-NSHDSACASA-N -1 3 388.308 3.539 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135561077 883447979 /nfs/dbraw/zinc/44/79/79/883447979.db2.gz JABAMWXSVZECEI-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135561077 883447986 /nfs/dbraw/zinc/44/79/86/883447986.db2.gz JABAMWXSVZECEI-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000477141178 883778928 /nfs/dbraw/zinc/77/89/28/883778928.db2.gz TZYPPYKBMVERED-UHFFFAOYSA-N -1 3 393.303 3.647 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1cccc(Cl)c1F ZINC000032436033 883779382 /nfs/dbraw/zinc/77/93/82/883779382.db2.gz YUIWGDUQGPUHDM-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cnn[n-]1 ZINC000805607713 883965817 /nfs/dbraw/zinc/96/58/17/883965817.db2.gz ZGFDWOMRYMIVRZ-OAHLLOKOSA-N -1 3 391.214 3.648 20 0 GHADHM O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1c[n-]nn1 ZINC000805607713 883965827 /nfs/dbraw/zinc/96/58/27/883965827.db2.gz ZGFDWOMRYMIVRZ-OAHLLOKOSA-N -1 3 391.214 3.648 20 0 GHADHM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476125307 883995410 /nfs/dbraw/zinc/99/54/10/883995410.db2.gz AFHRDBYYYJMMCB-JSGCOSHPSA-N -1 3 392.377 3.959 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(NC(C)=O)c3C)c2)n1 ZINC000190707858 884114229 /nfs/dbraw/zinc/11/42/29/884114229.db2.gz VQXZSFYYMSTUAZ-UHFFFAOYSA-N -1 3 390.443 3.518 20 0 GHADHM CCOc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OCC ZINC000064374477 884235770 /nfs/dbraw/zinc/23/57/70/884235770.db2.gz FZFOTGFLZCUAFK-UHFFFAOYSA-N -1 3 393.443 3.795 20 0 GHADHM C[C@H]1CN(c2cccc(Cl)c2)CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC001170498297 884327058 /nfs/dbraw/zinc/32/70/58/884327058.db2.gz AIGFQNPITRIAJI-AWEZNQCLSA-N -1 3 384.863 3.863 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2ccccc2n1CC(F)(F)F ZINC000495103474 884539759 /nfs/dbraw/zinc/53/97/59/884539759.db2.gz NDNZUOGVTXRBTF-UHFFFAOYSA-N -1 3 377.248 3.593 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2ccccc2n1CC(F)(F)F ZINC000495103474 884539771 /nfs/dbraw/zinc/53/97/71/884539771.db2.gz NDNZUOGVTXRBTF-UHFFFAOYSA-N -1 3 377.248 3.593 20 0 GHADHM CC(C)OCc1ccc(CNC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000918939932 884628127 /nfs/dbraw/zinc/62/81/27/884628127.db2.gz QRDVJXAJXUQESJ-UHFFFAOYSA-N -1 3 386.473 3.628 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCC1)c1cccc(Br)c1Cl ZINC000556363698 884635611 /nfs/dbraw/zinc/63/56/11/884635611.db2.gz KWAFVVVIGNJDDE-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM O=C(CCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000898221732 884675435 /nfs/dbraw/zinc/67/54/35/884675435.db2.gz OKMZYNSDCIBSSY-LBPRGKRZSA-N -1 3 396.274 3.791 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)n1 ZINC000898258309 884681907 /nfs/dbraw/zinc/68/19/07/884681907.db2.gz JMOVVDPVUPETOB-UHFFFAOYSA-N -1 3 382.489 3.596 20 0 GHADHM O=c1[n-]c(SCC[C@H](O)c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000806580892 884799419 /nfs/dbraw/zinc/79/94/19/884799419.db2.gz GLPGSXAGTZVNHA-KRWDZBQOSA-N -1 3 378.457 3.737 20 0 GHADHM CCC(=O)N1CCc2cc(C(=O)COC(=O)c3cc(Cl)c(Cl)[n-]3)ccc21 ZINC000919045658 884801149 /nfs/dbraw/zinc/80/11/49/884801149.db2.gz BCNYSPRRUMWIRR-UHFFFAOYSA-N -1 3 395.242 3.660 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[O-] ZINC000666346958 884803180 /nfs/dbraw/zinc/80/31/80/884803180.db2.gz JTBORHUUDGOOFW-GJZGRUSLSA-N -1 3 394.471 3.965 20 0 GHADHM C[C@H](Oc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)C(F)(F)F ZINC000806554518 884803556 /nfs/dbraw/zinc/80/35/56/884803556.db2.gz VOGMHZZSNDSDJN-HKLRHMNMSA-N -1 3 376.334 3.739 20 0 GHADHM NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000428506638 884899426 /nfs/dbraw/zinc/89/94/26/884899426.db2.gz MZMYUWUPFZEMQO-UHFFFAOYSA-N -1 3 386.354 3.541 20 0 GHADHM Cn1[n-]c(CN[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1=O ZINC000544434923 884967356 /nfs/dbraw/zinc/96/73/56/884967356.db2.gz FPIUWLRKZIJPHO-MRXNPFEDSA-N -1 3 395.265 3.628 20 0 GHADHM CSc1ccc(C(=O)COC(=O)c2cc3ccsc3[n-]2)cc1NC(C)=O ZINC000914891303 885117392 /nfs/dbraw/zinc/11/73/92/885117392.db2.gz NHKQSHPCSARLQR-UHFFFAOYSA-N -1 3 388.470 3.949 20 0 GHADHM O=S(=O)([N-]CC[C@H](O)c1ccccc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795864494 912899724 /nfs/dbraw/zinc/89/97/24/912899724.db2.gz QOIDNMZDORCZSB-AWEZNQCLSA-N -1 3 393.814 3.761 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000053483047 885187428 /nfs/dbraw/zinc/18/74/28/885187428.db2.gz NIBQHEUCUWKYTD-UHFFFAOYSA-N -1 3 375.472 3.597 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC[C@@H]3Cc3ccccc3)nc21 ZINC001127331587 885214369 /nfs/dbraw/zinc/21/43/69/885214369.db2.gz QZCUUPHPXDQJOR-HZPDHXFCSA-N -1 3 377.444 3.947 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)s2)ccc1F ZINC000914938473 885244062 /nfs/dbraw/zinc/24/40/62/885244062.db2.gz DDLCTHTXEDHSHC-UHFFFAOYSA-N -1 3 391.873 3.584 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)n[n-]2)o1 ZINC000919326773 885338358 /nfs/dbraw/zinc/33/83/58/885338358.db2.gz DHYRECIHNRHHEP-DZGCQCFKSA-N -1 3 393.443 3.891 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)[n-]n2)o1 ZINC000919326773 885338381 /nfs/dbraw/zinc/33/83/81/885338381.db2.gz DHYRECIHNRHHEP-DZGCQCFKSA-N -1 3 393.443 3.891 20 0 GHADHM Cc1cc(C)c(C(=O)NCc2ccc([O-])c(F)c2)cc1I ZINC000476387065 885494765 /nfs/dbraw/zinc/49/47/65/885494765.db2.gz FSEMDIOPDKENEY-UHFFFAOYSA-N -1 3 399.203 3.683 20 0 GHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000460417550 885548920 /nfs/dbraw/zinc/54/89/20/885548920.db2.gz FDWCFOWBACGGKE-UHFFFAOYSA-N -1 3 376.453 3.809 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000747408712 885570921 /nfs/dbraw/zinc/57/09/21/885570921.db2.gz UENQSEXOSLUPAL-HUUCEWRRSA-N -1 3 392.546 3.823 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1 ZINC000476401293 885584600 /nfs/dbraw/zinc/58/46/00/885584600.db2.gz ZIFNDEHRZVKXQG-UHFFFAOYSA-N -1 3 387.910 3.891 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCC2CCCC2)cc1Cl ZINC000104734193 885592008 /nfs/dbraw/zinc/59/20/08/885592008.db2.gz CPPYKCIDWCOEFO-UHFFFAOYSA-N -1 3 376.881 3.686 20 0 GHADHM C[C@@H](NCc1ccc(Br)c(F)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001184003235 912964829 /nfs/dbraw/zinc/96/48/29/912964829.db2.gz YRMOOTBCBLCENV-RXMQYKEDSA-N -1 3 385.134 3.715 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2nc(NCc3ccco3)ncc2Cl)s1 ZINC000915108588 885756888 /nfs/dbraw/zinc/75/68/88/885756888.db2.gz WIYLSCWYZHAGAK-UHFFFAOYSA-N -1 3 378.845 3.562 20 0 GHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCc2nccn2C)cc1 ZINC000108639210 885780083 /nfs/dbraw/zinc/78/00/83/885780083.db2.gz WJWFLSPRYSIUOX-UHFFFAOYSA-N -1 3 391.880 3.762 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc(OC)c1[O-] ZINC000495451331 885823969 /nfs/dbraw/zinc/82/39/69/885823969.db2.gz FCGGMDPNLHWTMS-CQSZACIVSA-N -1 3 391.851 3.746 20 0 GHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000762289623 885960962 /nfs/dbraw/zinc/96/09/62/885960962.db2.gz BXSVRZHBPHICBF-UHFFFAOYSA-N -1 3 381.325 3.651 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1[O-] ZINC000808187317 886081818 /nfs/dbraw/zinc/08/18/18/886081818.db2.gz CIMWBCUEUOOQGD-SFHVURJKSA-N -1 3 398.459 3.669 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)c(C)c2)CC1 ZINC000118761929 886187701 /nfs/dbraw/zinc/18/77/01/886187701.db2.gz STQMKAGKPVDXRE-UHFFFAOYSA-N -1 3 396.516 3.819 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H](OCC(F)(F)F)C2)nc2c3ccccc3oc21 ZINC000532588036 886196198 /nfs/dbraw/zinc/19/61/98/886196198.db2.gz VRTOVBGJIVMOPQ-NSHDSACASA-N -1 3 381.354 3.625 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)c1Cl ZINC000762528136 886344042 /nfs/dbraw/zinc/34/40/42/886344042.db2.gz OPEJCTHRQWADBE-NQBHXWOUSA-N -1 3 398.402 3.960 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(F)c1)c1cc(Cl)ccc1Cl ZINC000762536535 886352394 /nfs/dbraw/zinc/35/23/94/886352394.db2.gz DLAFTZMJIYHEQS-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(F)c1)c1c(Cl)cccc1Cl ZINC000762541421 886359113 /nfs/dbraw/zinc/35/91/13/886359113.db2.gz XMISXYURYKSHKH-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)c1[O-] ZINC000556891969 886523178 /nfs/dbraw/zinc/52/31/78/886523178.db2.gz FHWIHYLLZUAAFC-UHFFFAOYSA-N -1 3 375.428 3.830 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC2(CC2)c2ccc(Br)cc21 ZINC000862739274 886574540 /nfs/dbraw/zinc/57/45/40/886574540.db2.gz IIOJUKIRLZLSBI-UHFFFAOYSA-N -1 3 388.217 3.575 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1N[C@H](c1ccccn1)C(F)(F)F ZINC001168492618 886586746 /nfs/dbraw/zinc/58/67/46/886586746.db2.gz YAISBIXLCGPLFU-GFCCVEGCSA-N -1 3 399.398 3.635 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1N[C@H](c1ccccn1)C(F)(F)F ZINC001168492618 886586762 /nfs/dbraw/zinc/58/67/62/886586762.db2.gz YAISBIXLCGPLFU-GFCCVEGCSA-N -1 3 399.398 3.635 20 0 GHADHM Cc1cc(C)cc(OCCCOC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000915426700 886624935 /nfs/dbraw/zinc/62/49/35/886624935.db2.gz FFQJMUBSQOTWTJ-HXUWFJFHSA-N -1 3 397.471 3.626 20 0 GHADHM COc1ccccc1[C@@H](C)N(C)C(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000762737888 886773833 /nfs/dbraw/zinc/77/38/33/886773833.db2.gz IXKJRUYENNWXAN-MRXNPFEDSA-N -1 3 376.497 3.623 20 0 GHADHM Cc1nc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cs1 ZINC000915484014 886776126 /nfs/dbraw/zinc/77/61/26/886776126.db2.gz HTUPEUIWJLKXET-IBGZPJMESA-N -1 3 396.468 3.762 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC(F)(F)F ZINC000915484450 886783183 /nfs/dbraw/zinc/78/31/83/886783183.db2.gz JLPMSRMIBIQQKY-MRXNPFEDSA-N -1 3 381.350 3.749 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000126210286 886946652 /nfs/dbraw/zinc/94/66/52/886946652.db2.gz UVQXYRZHTKACBQ-MRXNPFEDSA-N -1 3 390.281 3.905 20 0 GHADHM O=C(NCc1ccccc1-c1ncc[nH]1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299197125 887012772 /nfs/dbraw/zinc/01/27/72/887012772.db2.gz KCLPHCJNLZEFIT-UHFFFAOYSA-N -1 3 378.819 3.502 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)cc1 ZINC000863400509 887085624 /nfs/dbraw/zinc/08/56/24/887085624.db2.gz OZRGXVPGBZFKSB-QGZVFWFLSA-N -1 3 396.440 3.524 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1C ZINC000863405666 887090518 /nfs/dbraw/zinc/09/05/18/887090518.db2.gz CROPUFOHIHCJHS-UHFFFAOYSA-N -1 3 395.456 3.934 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C ZINC000863433428 887104603 /nfs/dbraw/zinc/10/46/03/887104603.db2.gz ZXVJOLYJHLCCFX-UHFFFAOYSA-N -1 3 389.477 3.574 20 0 GHADHM CN(C(=O)c1cc2c(cc1[O-])OCO2)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863469664 887134285 /nfs/dbraw/zinc/13/42/85/887134285.db2.gz HLWRGLFNHUZHCT-UHFFFAOYSA-N -1 3 386.404 3.745 20 0 GHADHM CCCOc1ccc(NC(=O)c2cnc3cc(OC)cc(OC)c3c2[O-])cc1C ZINC000863527500 887192915 /nfs/dbraw/zinc/19/29/15/887192915.db2.gz ZQONVPOBZBSPCP-UHFFFAOYSA-N -1 3 396.443 3.895 20 0 GHADHM O=C(c1ccccc1)N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC000459309079 887245177 /nfs/dbraw/zinc/24/51/77/887245177.db2.gz SHIREQPUPFJTQE-UHFFFAOYSA-N -1 3 389.293 3.503 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C(C)C)ccc1F ZINC000809390249 887365381 /nfs/dbraw/zinc/36/53/81/887365381.db2.gz KNVXPJLCHKIHQI-UHFFFAOYSA-N -1 3 392.496 3.912 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cc(F)cc(Cl)c2)ccc1F ZINC001131727189 887478011 /nfs/dbraw/zinc/47/80/11/887478011.db2.gz FFDMLKFXDCUVHB-UHFFFAOYSA-N -1 3 389.807 3.524 20 0 GHADHM [O-]c1cccc(CNc2cc(F)cc(N3CCOCC3)c2)c1Br ZINC000459350191 887562547 /nfs/dbraw/zinc/56/25/47/887562547.db2.gz JQTRCZFGADQTKY-UHFFFAOYSA-N -1 3 381.245 3.743 20 0 GHADHM O=C(CN(Cc1ccccc1)C(=O)C(F)(F)F)Nc1cc([O-])cc(Cl)c1 ZINC001184385621 913172929 /nfs/dbraw/zinc/17/29/29/913172929.db2.gz LFWUZMHSGPQRTD-UHFFFAOYSA-N -1 3 386.757 3.575 20 0 GHADHM CC(C)OC[C@H](NCc1ccc(Br)cc1SC(C)C)C(=O)[O-] ZINC000864517641 887821974 /nfs/dbraw/zinc/82/19/74/887821974.db2.gz JBGYYJDAESDAMH-AWEZNQCLSA-N -1 3 390.343 3.917 20 0 GHADHM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cccnc1Sc1ccccc1 ZINC000025314818 887878369 /nfs/dbraw/zinc/87/83/69/887878369.db2.gz HVRQAOLARTYPFM-UHFFFAOYSA-N -1 3 383.860 3.961 20 0 GHADHM COC(=O)c1cc2c(cc1F)NC(=O)/C2=C\c1cc([O-])ccc1Br ZINC000794742074 887976812 /nfs/dbraw/zinc/97/68/12/887976812.db2.gz OSXJBAXFJYVJNK-WZUFQYTHSA-N -1 3 392.180 3.573 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)c([O-])c1 ZINC001184449016 913204064 /nfs/dbraw/zinc/20/40/64/913204064.db2.gz BSYVZYOOGKMXPR-AWEZNQCLSA-N -1 3 377.387 3.583 20 0 GHADHM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC[N-]C(=O)C(F)(F)F ZINC000794802746 888096737 /nfs/dbraw/zinc/09/67/37/888096737.db2.gz MJJPKNQLYPJLBS-RISCZKNCSA-N -1 3 398.347 3.536 20 0 GHADHM C[C@H](c1cccc(Br)c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068265 888155594 /nfs/dbraw/zinc/15/55/94/888155594.db2.gz LXFUKVGLDUUWQD-VXGBXAGGSA-N -1 3 393.247 3.901 20 0 GHADHM COc1ccc2c(c1)C1(CC1)CN(Cc1cc(=O)oc3c(C)c([O-])ccc13)C2 ZINC000810098133 888164694 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20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)cc1 ZINC000747608768 888637798 /nfs/dbraw/zinc/63/77/98/888637798.db2.gz MZFJZBPPZDDWMO-KEQVLUGWSA-N -1 3 389.473 3.851 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc(-c4ccccn4)n3)cc2)n1 ZINC000195488515 888670688 /nfs/dbraw/zinc/67/06/88/888670688.db2.gz QLSCYBRIACBDNI-UHFFFAOYSA-N -1 3 389.440 3.516 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]3c3ccnn3C)cc2)cc(=O)[n-]1 ZINC000532732044 888832683 /nfs/dbraw/zinc/83/26/83/888832683.db2.gz QJHRKPVOVZCQAQ-IBGZPJMESA-N -1 3 392.463 3.650 20 0 GHADHM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810901158 889010513 /nfs/dbraw/zinc/01/05/13/889010513.db2.gz OSGVWVQFTGAEBZ-WBVHZDCISA-N -1 3 398.469 3.906 20 0 GHADHM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810903223 889012132 /nfs/dbraw/zinc/01/21/32/889012132.db2.gz WDBGRRUSYRNACB-ICDLMJIXSA-N -1 3 388.817 3.660 20 0 GHADHM CC/C(=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000810905165 889012977 /nfs/dbraw/zinc/01/29/77/889012977.db2.gz OGAVCUXNBRHDTI-KFXIKWRMSA-N -1 3 382.426 3.706 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810906351 889013591 /nfs/dbraw/zinc/01/35/91/889013591.db2.gz SCRJEOJKZOZIRK-OWCLPIDISA-N -1 3 396.453 3.893 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](O)c3cccc(Cl)c3)cc2)cc(=O)[n-]1 ZINC000916468253 889030683 /nfs/dbraw/zinc/03/06/83/889030683.db2.gz MUFJBEMTALDNHM-GOSISDBHSA-N -1 3 398.850 3.666 20 0 GHADHM CCc1ncc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000532836520 889053780 /nfs/dbraw/zinc/05/37/80/889053780.db2.gz CNNRCDDFEWPILG-UHFFFAOYSA-N -1 3 393.896 3.555 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000532886842 889202565 /nfs/dbraw/zinc/20/25/65/889202565.db2.gz IMDVJHCIEVISHO-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)COc3ccccc3)c2)n1 ZINC000123555514 889329041 /nfs/dbraw/zinc/32/90/41/889329041.db2.gz CYAVDBXTDITISM-OAHLLOKOSA-N -1 3 377.444 3.653 20 0 GHADHM Cc1cccc(OCCNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811393446 889532730 /nfs/dbraw/zinc/53/27/30/889532730.db2.gz ISUVFPTVDVRRLU-UHFFFAOYSA-N -1 3 392.864 3.543 20 0 GHADHM COCc1ccccc1CNC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393799 889534323 /nfs/dbraw/zinc/53/43/23/889534323.db2.gz DZTFMWQPVQCQET-UHFFFAOYSA-N -1 3 392.864 3.502 20 0 GHADHM O=C(O[C@@H]1CCN(c2ccccc2F)C1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394145 889534866 /nfs/dbraw/zinc/53/48/66/889534866.db2.gz XUINHPAUHUNDTC-CYBMUJFWSA-N -1 3 378.812 3.984 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000245755649 889648798 /nfs/dbraw/zinc/64/87/98/889648798.db2.gz YIDFVHLPIZNDIK-NJAFHUGGSA-N -1 3 382.435 3.943 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(OC4CCC4)c3)c2)n1 ZINC000124740074 889744129 /nfs/dbraw/zinc/74/41/29/889744129.db2.gz JIXOKFBJYSRZGH-UHFFFAOYSA-N -1 3 390.443 3.578 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c([O-])c1 ZINC000124784113 889761698 /nfs/dbraw/zinc/76/16/98/889761698.db2.gz BXJYKTMCUNRFHB-UHFFFAOYSA-N -1 3 387.480 3.610 20 0 GHADHM CSc1cccnc1[N-]C(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C ZINC000869148334 889790406 /nfs/dbraw/zinc/79/04/06/889790406.db2.gz CTBBFNGGQQFNAZ-UHFFFAOYSA-N -1 3 377.466 3.982 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000124870520 889797040 /nfs/dbraw/zinc/79/70/40/889797040.db2.gz SBNSHGIRWMJRHX-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000124870520 889797045 /nfs/dbraw/zinc/79/70/45/889797045.db2.gz SBNSHGIRWMJRHX-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM Cc1ccc(NC(=O)Cc2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000533215083 890049982 /nfs/dbraw/zinc/04/99/82/890049982.db2.gz PATONFOSSKLUBY-UHFFFAOYSA-N -1 3 399.447 3.511 20 0 GHADHM C[C@@H](CCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)CC(C)(C)C ZINC000811906435 890108170 /nfs/dbraw/zinc/10/81/70/890108170.db2.gz CDOGRPKLDLQLTF-KBPBESRZSA-N -1 3 379.467 3.549 20 0 GHADHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1c[n-]c2ccccc2c1=O ZINC000065044262 890245597 /nfs/dbraw/zinc/24/55/97/890245597.db2.gz KSVRGKBEMYXITL-UHFFFAOYSA-N -1 3 382.489 3.613 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000812053021 890262076 /nfs/dbraw/zinc/26/20/76/890262076.db2.gz BGHWRZWOEHRLNR-LEWJYISDSA-N -1 3 380.419 3.805 20 0 GHADHM CN(C)C(=O)Sc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1Cl ZINC000805438104 890378039 /nfs/dbraw/zinc/37/80/39/890378039.db2.gz WFPNTMNIFCMOMG-UHFFFAOYSA-N -1 3 375.841 3.637 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@H](c2ccccc2)C1 ZINC000126245719 890441771 /nfs/dbraw/zinc/44/17/71/890441771.db2.gz OSJCNYFQBUWFRY-HNNXBMFYSA-N -1 3 375.266 3.854 20 0 GHADHM CCCn1c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc2ccccc21 ZINC000812274795 890495227 /nfs/dbraw/zinc/49/52/27/890495227.db2.gz AMRWRAJGYMITKO-AWEZNQCLSA-N -1 3 395.425 3.582 20 0 GHADHM Cc1cccc(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC000871313999 890747294 /nfs/dbraw/zinc/74/72/94/890747294.db2.gz ZZVFXECFAFNTQT-HNNXBMFYSA-N -1 3 376.378 3.808 20 0 GHADHM CNc1ccccc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315022 890749108 /nfs/dbraw/zinc/74/91/08/890749108.db2.gz UEQHGKAWBSFFIY-CYBMUJFWSA-N -1 3 391.393 3.541 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000126914041 890815471 /nfs/dbraw/zinc/81/54/71/890815471.db2.gz OVUYRNPIDKAFNX-QGZVFWFLSA-N -1 3 375.900 3.876 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(-c2ccccc2)cc1)c1cccnc1Cl ZINC001184898867 913492144 /nfs/dbraw/zinc/49/21/44/913492144.db2.gz VKCUYVAKMDICSA-UHFFFAOYSA-N -1 3 388.876 3.759 20 0 GHADHM O=C([O-])CC[C@@H]1CCCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000871621570 890944637 /nfs/dbraw/zinc/94/46/37/890944637.db2.gz HTCIOSIMVJYLID-AWEZNQCLSA-N -1 3 381.398 3.968 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127388550 891035028 /nfs/dbraw/zinc/03/50/28/891035028.db2.gz MGXONUPXOAVRJD-QAPCUYQASA-N -1 3 392.455 3.929 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1ccc2ncccc2c1 ZINC000066765113 891048165 /nfs/dbraw/zinc/04/81/65/891048165.db2.gz XUDTWXIVGUYLMU-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000533676049 891084252 /nfs/dbraw/zinc/08/42/52/891084252.db2.gz XEDORWLTFDYGAQ-UHFFFAOYSA-N -1 3 391.818 3.987 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc([O-])c2F)c2nccn2C)c1 ZINC000872021218 891121384 /nfs/dbraw/zinc/12/13/84/891121384.db2.gz PBSUCERNJUMORI-RBZFPXEDSA-N -1 3 385.439 3.722 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1Br)c1nccs1 ZINC000127628424 891175127 /nfs/dbraw/zinc/17/51/27/891175127.db2.gz KDYMXJOHJUSMJY-NSHDSACASA-N -1 3 375.313 3.644 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2 ZINC000872169171 891193510 /nfs/dbraw/zinc/19/35/10/891193510.db2.gz HHWKSNMLXPPBFD-DYVFJYSZSA-N -1 3 381.354 3.585 20 0 GHADHM Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145340 891208109 /nfs/dbraw/zinc/20/81/09/891208109.db2.gz AIDQLPBGIGFIKJ-UHFFFAOYSA-N -1 3 396.896 3.683 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1c[nH]c2ncccc12 ZINC000127788381 891250571 /nfs/dbraw/zinc/25/05/71/891250571.db2.gz VWRJODPFVPBWPG-UHFFFAOYSA-N -1 3 386.658 3.780 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](c1c[nH]c2ccc(C)cc21)C(F)(F)F ZINC001184929964 913543537 /nfs/dbraw/zinc/54/35/37/913543537.db2.gz VHNLICXCZFOHJI-CYBMUJFWSA-N -1 3 394.353 3.661 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](c1c[nH]c2ccc(C)cc21)C(F)(F)F ZINC001184929964 913543557 /nfs/dbraw/zinc/54/35/57/913543557.db2.gz VHNLICXCZFOHJI-CYBMUJFWSA-N -1 3 394.353 3.661 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000825626451 891341932 /nfs/dbraw/zinc/34/19/32/891341932.db2.gz MFAHPJYQOAFUES-HNNXBMFYSA-N -1 3 394.479 3.711 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000825626451 891341947 /nfs/dbraw/zinc/34/19/47/891341947.db2.gz MFAHPJYQOAFUES-HNNXBMFYSA-N -1 3 394.479 3.711 20 0 GHADHM Cc1ccccc1C1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000813282851 891468270 /nfs/dbraw/zinc/46/82/70/891468270.db2.gz BMROVNIWLOQDTA-INIZCTEOSA-N -1 3 396.453 3.724 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873644698 891723583 /nfs/dbraw/zinc/72/35/83/891723583.db2.gz QVOVXXXGNNITMI-KWCYVHTRSA-N -1 3 382.291 3.978 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](CC)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825688384 891767474 /nfs/dbraw/zinc/76/74/74/891767474.db2.gz XNBDEPYLZVJIPN-HNNXBMFYSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](CC)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000825688384 891767485 /nfs/dbraw/zinc/76/74/85/891767485.db2.gz XNBDEPYLZVJIPN-HNNXBMFYSA-N -1 3 385.493 3.940 20 0 GHADHM CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000813724015 891899803 /nfs/dbraw/zinc/89/98/03/891899803.db2.gz DESNZEITTAZACC-IBGZPJMESA-N -1 3 396.487 3.528 20 0 GHADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001212088235 891964589 /nfs/dbraw/zinc/96/45/89/891964589.db2.gz KAPFTPDIKPUBAJ-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H]2CCc3c2cccc3Cl)ccc1F ZINC000125082354 892266349 /nfs/dbraw/zinc/26/63/49/892266349.db2.gz YJEHMDYXWWCPTE-INIZCTEOSA-N -1 3 383.828 3.695 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NCc2ccc(OCc3ccccc3)cc2)c2ccccc21 ZINC000917604089 892273178 /nfs/dbraw/zinc/27/31/78/892273178.db2.gz QRSUMBRYOXGNPD-JCMHNJIXSA-N -1 3 384.435 3.666 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1cc(C)ccc1C ZINC000497740329 892300430 /nfs/dbraw/zinc/30/04/30/892300430.db2.gz NEMORRWVDRKLOJ-UHFFFAOYSA-N -1 3 385.489 3.723 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000288082401 913649465 /nfs/dbraw/zinc/64/94/65/913649465.db2.gz ZKQFAJTTWKRNHZ-HXUWFJFHSA-N -1 3 393.405 3.903 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCSC1 ZINC000288081927 913649800 /nfs/dbraw/zinc/64/98/00/913649800.db2.gz PPTNMPMLIMCOSV-OXQOHEQNSA-N -1 3 398.528 3.513 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000917743954 892492241 /nfs/dbraw/zinc/49/22/41/892492241.db2.gz KJJZQMGNRQBJHJ-UHFFFAOYSA-N -1 3 378.450 3.763 20 0 GHADHM Cc1cncc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000875391396 892587900 /nfs/dbraw/zinc/58/79/00/892587900.db2.gz PKTWMFXIQDNZGA-MRXNPFEDSA-N -1 3 390.281 3.905 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C)c3Br)nc21 ZINC000162526923 892650933 /nfs/dbraw/zinc/65/09/33/892650933.db2.gz WAMSRIHYODZYKN-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC1CCOCC1 ZINC000814441051 892695042 /nfs/dbraw/zinc/69/50/42/892695042.db2.gz ZROPJHYXTHJVEQ-OAQYLSRUSA-N -1 3 397.471 3.613 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c[n-]1 ZINC000814531943 892831665 /nfs/dbraw/zinc/83/16/65/892831665.db2.gz WRIBRZGNKQRTRD-AWEZNQCLSA-N -1 3 392.411 3.652 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H](O)C(F)(F)F ZINC000497985716 892889773 /nfs/dbraw/zinc/88/97/73/892889773.db2.gz WNYGIVQREZKHSW-CABZTGNLSA-N -1 3 387.832 3.535 20 0 GHADHM CCOC(=O)n1nc2c(c1[N-]c1nc(Cl)nc3ccsc31)CNC2(C)C ZINC001170754237 892989960 /nfs/dbraw/zinc/98/99/60/892989960.db2.gz NPHJCGLTLLMYPX-UHFFFAOYSA-N -1 3 392.872 3.628 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@]3(C)CCC[C@H]3C)[n-]c2c(Br)c1 ZINC001134788492 893304778 /nfs/dbraw/zinc/30/47/78/893304778.db2.gz DEBLJALGBCIFCW-XLFHBGCDSA-N -1 3 394.269 3.877 20 0 GHADHM CSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1C ZINC000774848614 913772536 /nfs/dbraw/zinc/77/25/36/913772536.db2.gz GRGFEXDYVMLAFI-UHFFFAOYSA-N -1 3 396.509 3.795 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 ZINC000934250134 893503656 /nfs/dbraw/zinc/50/36/56/893503656.db2.gz GDMDQVIVJFRZBB-UHFFFAOYSA-N -1 3 380.495 3.537 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000815186471 893533335 /nfs/dbraw/zinc/53/33/35/893533335.db2.gz UFYHIPFPPBPCBL-LRDDRELGSA-N -1 3 382.888 3.954 20 0 GHADHM COc1ccc([C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)nc1 ZINC000934345138 893560423 /nfs/dbraw/zinc/56/04/23/893560423.db2.gz MQHOIZCITNFWOM-MRXNPFEDSA-N -1 3 376.416 3.822 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Cc1ccccc1 ZINC000069603901 893607093 /nfs/dbraw/zinc/60/70/93/893607093.db2.gz ZSHVFKHZFWWMTE-GFCCVEGCSA-N -1 3 393.361 3.506 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)c[n-]1 ZINC000815415128 893826921 /nfs/dbraw/zinc/82/69/21/893826921.db2.gz DYRYQILRYSUDNU-UHFFFAOYSA-N -1 3 384.413 3.643 20 0 GHADHM O=c1[n-]c(CN(Cc2ccccc2)Cc2ccccc2F)nc2c1COCC2 ZINC000878011895 893946238 /nfs/dbraw/zinc/94/62/38/893946238.db2.gz AVENESAQCAGLID-UHFFFAOYSA-N -1 3 379.435 3.596 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000537017513 894197504 /nfs/dbraw/zinc/19/75/04/894197504.db2.gz BKOCDTKRQVICCL-HOCLYGCPSA-N -1 3 391.798 3.566 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)[n-]1 ZINC000815774540 894210999 /nfs/dbraw/zinc/21/09/99/894210999.db2.gz CTWOHHKEWBEOFA-HXUWFJFHSA-N -1 3 378.428 3.720 20 0 GHADHM CC(C)(F)c1cc([N-]C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)no1 ZINC001135374039 894468626 /nfs/dbraw/zinc/46/86/26/894468626.db2.gz VVPNLEJNEJDBPQ-UHFFFAOYSA-N -1 3 383.305 3.731 20 0 GHADHM CCc1ccc([C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C(C)C)cc1 ZINC000645443091 913900723 /nfs/dbraw/zinc/90/07/23/913900723.db2.gz YEYFTEVMYPUDNN-SFHVURJKSA-N -1 3 392.521 3.528 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1nc2ccccc2cc1Br ZINC000564299037 894837103 /nfs/dbraw/zinc/83/71/03/894837103.db2.gz XVZRLXJYAWQKMS-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)cc1F ZINC001185506082 913923439 /nfs/dbraw/zinc/92/34/39/913923439.db2.gz CHEMGAMVXPALBF-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000816662457 895007010 /nfs/dbraw/zinc/00/70/10/895007010.db2.gz PUEYRVZFCSOOMG-ZDUSSCGKSA-N -1 3 382.888 3.955 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(F)cc1F ZINC000031668260 895008142 /nfs/dbraw/zinc/00/81/42/895008142.db2.gz NALPAKJPEZRPIV-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=C(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])OCc1ccccc1 ZINC001135697339 895081517 /nfs/dbraw/zinc/08/15/17/895081517.db2.gz BJSOTOGMJORYKB-UHFFFAOYSA-N -1 3 377.396 3.658 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[O-] ZINC000816888393 895163219 /nfs/dbraw/zinc/16/32/19/895163219.db2.gz LYXFJGCZLZHBAF-STQMWFEESA-N -1 3 386.423 3.600 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c(Cl)n1 ZINC000760325014 895190820 /nfs/dbraw/zinc/19/08/20/895190820.db2.gz GCOHUQJUIJGBJL-UHFFFAOYSA-N -1 3 382.869 3.773 20 0 GHADHM C[C@@H](c1ccncc1)N1CCC(N=c2[n-]c(-c3cccc(Cl)c3)no2)CC1 ZINC000564876838 895295432 /nfs/dbraw/zinc/29/54/32/895295432.db2.gz RUTQXEOKHZTCJV-AWEZNQCLSA-N -1 3 383.883 3.844 20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000040443276 895387514 /nfs/dbraw/zinc/38/75/14/895387514.db2.gz LSGDJFNZFNRKOI-UHFFFAOYSA-N -1 3 389.702 3.969 20 0 GHADHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc([O-])ccc1Cl ZINC000565154393 895427790 /nfs/dbraw/zinc/42/77/90/895427790.db2.gz IYVWFLZHVOLSEZ-INIZCTEOSA-N -1 3 375.852 3.876 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cnc(OCC3CC3)cn2)s1)c1ccccc1 ZINC000565437180 895624617 /nfs/dbraw/zinc/62/46/17/895624617.db2.gz DKJOVJURUMKKFK-OAHLLOKOSA-N -1 3 395.488 3.911 20 0 GHADHM CCOc1cc(Br)c(CC(=O)[N-]OCCC2CC2)cc1OCC ZINC000817438117 895629074 /nfs/dbraw/zinc/62/90/74/895629074.db2.gz ZVTJMAQONQKLNU-UHFFFAOYSA-N -1 3 386.286 3.637 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc([O-])ccc1Cl ZINC000565555840 895719110 /nfs/dbraw/zinc/71/91/10/895719110.db2.gz WZRZLIHPXMRSCS-UHFFFAOYSA-N -1 3 378.709 3.972 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000880514440 895736887 /nfs/dbraw/zinc/73/68/87/895736887.db2.gz XSVPODQNFDLYMZ-UHFFFAOYSA-N -1 3 384.288 3.516 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000565784745 895875926 /nfs/dbraw/zinc/87/59/26/895875926.db2.gz JHXKPPLUXIFFCR-UHFFFAOYSA-N -1 3 392.858 3.972 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(N)cc3[O-])CC2)cc1 ZINC000817922563 895962710 /nfs/dbraw/zinc/96/27/10/895962710.db2.gz YWGBSGOMNZVQAR-UHFFFAOYSA-N -1 3 380.488 3.908 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001136072696 895976530 /nfs/dbraw/zinc/97/65/30/895976530.db2.gz AOJCXCMJFIMTKY-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001136072696 895976541 /nfs/dbraw/zinc/97/65/41/895976541.db2.gz AOJCXCMJFIMTKY-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(NC[C@H]1COc2ccccc2O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136109771 896024015 /nfs/dbraw/zinc/02/40/15/896024015.db2.gz LZCHEQHXNAZTAL-KRWDZBQOSA-N -1 3 377.396 3.754 20 0 GHADHM Cc1ccc2cc(Cl)cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2n1 ZINC001136145073 896169523 /nfs/dbraw/zinc/16/95/23/896169523.db2.gz QZGIBMQOFFVSSK-UHFFFAOYSA-N -1 3 389.864 3.820 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000818962476 896268671 /nfs/dbraw/zinc/26/86/71/896268671.db2.gz QAWHREFZTYZMQC-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000566510365 896345272 /nfs/dbraw/zinc/34/52/72/896345272.db2.gz PKZBGIVXXMUSSI-UWJYYQICSA-N -1 3 392.499 3.659 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826219275 896398113 /nfs/dbraw/zinc/39/81/13/896398113.db2.gz XHCBABPOBRJGHF-VFNWGFHPSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826219275 896398127 /nfs/dbraw/zinc/39/81/27/896398127.db2.gz XHCBABPOBRJGHF-VFNWGFHPSA-N -1 3 386.459 3.711 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000566719933 896522133 /nfs/dbraw/zinc/52/21/33/896522133.db2.gz FQCRBCTTZZNZCQ-NSHDSACASA-N -1 3 397.846 3.986 20 0 GHADHM CSCCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228878 896565334 /nfs/dbraw/zinc/56/53/34/896565334.db2.gz FGXOSOLSZJTFEU-AWEZNQCLSA-N -1 3 396.520 3.647 20 0 GHADHM CSCCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228878 896565347 /nfs/dbraw/zinc/56/53/47/896565347.db2.gz FGXOSOLSZJTFEU-AWEZNQCLSA-N -1 3 396.520 3.647 20 0 GHADHM COc1ccc2c(c1)CCC[C@]2(NCc1csc(Br)c1)C(=O)[O-] ZINC000566803996 896584066 /nfs/dbraw/zinc/58/40/66/896584066.db2.gz VXMOPDSJQVXKPJ-QGZVFWFLSA-N -1 3 396.306 3.925 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nnn[n-]1 ZINC000826238443 896594583 /nfs/dbraw/zinc/59/45/83/896594583.db2.gz GHPAABHTZDGUNM-KRWDZBQOSA-N -1 3 398.854 3.558 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nn[n-]n1 ZINC000826238443 896594590 /nfs/dbraw/zinc/59/45/90/896594590.db2.gz GHPAABHTZDGUNM-KRWDZBQOSA-N -1 3 398.854 3.558 20 0 GHADHM O=c1[n-]nc(SCc2ccc3ccc(Cl)cc3n2)n1C[C@H]1CCCO1 ZINC000882061377 896634832 /nfs/dbraw/zinc/63/48/32/896634832.db2.gz GCCGQCMVZVHEGE-CQSZACIVSA-N -1 3 376.869 3.657 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)nc12 ZINC000826250252 896670782 /nfs/dbraw/zinc/67/07/82/896670782.db2.gz RFKSPZMFFORNIX-UHFFFAOYSA-N -1 3 378.823 3.937 20 0 GHADHM Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)nc12 ZINC000826250252 896670787 /nfs/dbraw/zinc/67/07/87/896670787.db2.gz RFKSPZMFFORNIX-UHFFFAOYSA-N -1 3 378.823 3.937 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219913 896714503 /nfs/dbraw/zinc/71/45/03/896714503.db2.gz IGUVQUVQHAGZPC-KRWDZBQOSA-N -1 3 399.285 3.883 20 0 GHADHM Cc1cc(F)ccc1N(CCCn1ccnc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826268882 896777972 /nfs/dbraw/zinc/77/79/72/896777972.db2.gz RJSFUTWATKBQFQ-UHFFFAOYSA-N -1 3 391.454 3.608 20 0 GHADHM CCCCC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000025346338 896851593 /nfs/dbraw/zinc/85/15/93/896851593.db2.gz QSLVPAARRCVLRR-GFCCVEGCSA-N -1 3 395.352 3.747 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826278016 896864401 /nfs/dbraw/zinc/86/44/01/896864401.db2.gz OPVCIRHOLWFRAI-OAHLLOKOSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826278016 896864416 /nfs/dbraw/zinc/86/44/16/896864416.db2.gz OPVCIRHOLWFRAI-OAHLLOKOSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC001185836687 914112954 /nfs/dbraw/zinc/11/29/54/914112954.db2.gz SWIAYSHSRLONAG-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1cccc(-c2nnn[n-]2)c1 ZINC000819933542 897053342 /nfs/dbraw/zinc/05/33/42/897053342.db2.gz VOHVWXBNXOGRBI-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NCc1cccc(-c2nn[n-]n2)c1 ZINC000819933542 897053366 /nfs/dbraw/zinc/05/33/66/897053366.db2.gz VOHVWXBNXOGRBI-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000567403332 897125578 /nfs/dbraw/zinc/12/55/78/897125578.db2.gz LWCRJGGKRFZBJT-ZDUSSCGKSA-N -1 3 380.473 3.689 20 0 GHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000131038824 897297622 /nfs/dbraw/zinc/29/76/22/897297622.db2.gz UWZZVMOKVTWDHZ-UHFFFAOYSA-N -1 3 394.301 3.506 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1c([O-])cccc1Cl ZINC000820559517 897394052 /nfs/dbraw/zinc/39/40/52/897394052.db2.gz XSCLGHGKNRSFDN-UHFFFAOYSA-N -1 3 389.839 3.991 20 0 GHADHM Cc1ccnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1-c1nnn[n-]1 ZINC000826310159 897423832 /nfs/dbraw/zinc/42/38/32/897423832.db2.gz NCDWESZGWZJXDL-UHFFFAOYSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1ccnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1-c1nn[n-]n1 ZINC000826310159 897423843 /nfs/dbraw/zinc/42/38/43/897423843.db2.gz NCDWESZGWZJXDL-UHFFFAOYSA-N -1 3 395.854 3.749 20 0 GHADHM CC1CC(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)C1 ZINC000820656742 897447643 /nfs/dbraw/zinc/44/76/43/897447643.db2.gz GYZJHPGVCDGXIV-UHFFFAOYSA-N -1 3 394.454 3.516 20 0 GHADHM CC1CC(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)C1 ZINC000820656742 897447647 /nfs/dbraw/zinc/44/76/47/897447647.db2.gz GYZJHPGVCDGXIV-UHFFFAOYSA-N -1 3 394.454 3.516 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c(Cl)c1 ZINC000568099826 897592599 /nfs/dbraw/zinc/59/25/99/897592599.db2.gz ZSXFCCJCPQVQIA-UHFFFAOYSA-N -1 3 386.256 3.932 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875900 897601466 /nfs/dbraw/zinc/60/14/66/897601466.db2.gz IEZXUIJFAACQIE-HOTGVXAUSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875900 897601471 /nfs/dbraw/zinc/60/14/71/897601471.db2.gz IEZXUIJFAACQIE-HOTGVXAUSA-N -1 3 378.480 3.938 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@@H](F)C1 ZINC000568138525 897627335 /nfs/dbraw/zinc/62/73/35/897627335.db2.gz QOCRIGBHAPIHRO-CQSZACIVSA-N -1 3 394.443 3.509 20 0 GHADHM CC1(C)C[C@H](NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])CCO1 ZINC001185936631 914179013 /nfs/dbraw/zinc/17/90/13/914179013.db2.gz FENNMJXLXZQWBB-QGZVFWFLSA-N -1 3 390.524 3.536 20 0 GHADHM CC(=O)Nc1cccc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000821018369 897668266 /nfs/dbraw/zinc/66/82/66/897668266.db2.gz FHQBQFREASLQKU-NSHDSACASA-N -1 3 399.472 3.819 20 0 GHADHM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2c([O-])cccc2Cl)CC3)c1 ZINC000568213754 897677935 /nfs/dbraw/zinc/67/79/35/897677935.db2.gz HCMPOTKPUQZDRJ-AWEZNQCLSA-N -1 3 382.851 3.814 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c([O-])c1 ZINC000568288462 897714962 /nfs/dbraw/zinc/71/49/62/897714962.db2.gz VDJZBZOKWKTJQA-UHFFFAOYSA-N -1 3 398.425 3.592 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000821104578 897747063 /nfs/dbraw/zinc/74/70/63/897747063.db2.gz JBXRLCCITOYJNA-IRXDYDNUSA-N -1 3 392.507 3.981 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000821104578 897747071 /nfs/dbraw/zinc/74/70/71/897747071.db2.gz JBXRLCCITOYJNA-IRXDYDNUSA-N -1 3 392.507 3.981 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821476600 897916562 /nfs/dbraw/zinc/91/65/62/897916562.db2.gz PYQPNMBCCHPBAG-CQSZACIVSA-N -1 3 378.432 3.696 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821476600 897916570 /nfs/dbraw/zinc/91/65/70/897916570.db2.gz PYQPNMBCCHPBAG-CQSZACIVSA-N -1 3 378.432 3.696 20 0 GHADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1NC(=O)c1ccncc1 ZINC001136452265 897918942 /nfs/dbraw/zinc/91/89/42/897918942.db2.gz SXEGNCKQLQCHPY-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1NC(=O)c1ccncc1 ZINC001136452265 897918946 /nfs/dbraw/zinc/91/89/46/897918946.db2.gz SXEGNCKQLQCHPY-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM Cn1cc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(-c2ccccc2)n1 ZINC000826361835 898132902 /nfs/dbraw/zinc/13/29/02/898132902.db2.gz RETAGVRWAVQQTH-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cc2)n1 ZINC000568820780 898134296 /nfs/dbraw/zinc/13/42/96/898134296.db2.gz YGECEBPIRKOYGT-UHFFFAOYSA-N -1 3 391.460 3.551 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cc2)n1 ZINC000568820780 898134304 /nfs/dbraw/zinc/13/43/04/898134304.db2.gz YGECEBPIRKOYGT-UHFFFAOYSA-N -1 3 391.460 3.551 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000568832206 898143685 /nfs/dbraw/zinc/14/36/85/898143685.db2.gz XNJHMIGFVRMEOA-UHFFFAOYSA-N -1 3 399.516 3.838 20 0 GHADHM FC(F)(F)[C@H](NCCCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367159 898151529 /nfs/dbraw/zinc/15/15/29/898151529.db2.gz OGVJLCXSAGOXMC-MRXNPFEDSA-N -1 3 377.370 3.529 20 0 GHADHM FC(F)(F)[C@H](NCCCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367159 898151538 /nfs/dbraw/zinc/15/15/38/898151538.db2.gz OGVJLCXSAGOXMC-MRXNPFEDSA-N -1 3 377.370 3.529 20 0 GHADHM FC(F)(F)c1ccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826368309 898163548 /nfs/dbraw/zinc/16/35/48/898163548.db2.gz LBPAZEBILUSYSW-OAHLLOKOSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1ccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1 ZINC000826368309 898163561 /nfs/dbraw/zinc/16/35/61/898163561.db2.gz LBPAZEBILUSYSW-OAHLLOKOSA-N -1 3 395.410 3.521 20 0 GHADHM Cc1ccc(CCCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000822236265 898263354 /nfs/dbraw/zinc/26/33/54/898263354.db2.gz RLILJVVAOYENOG-UHFFFAOYSA-N -1 3 383.521 3.997 20 0 GHADHM Cc1ccc(CCCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000822236265 898263365 /nfs/dbraw/zinc/26/33/65/898263365.db2.gz RLILJVVAOYENOG-UHFFFAOYSA-N -1 3 383.521 3.997 20 0 GHADHM COc1ccc(-n2c(CN3C[C@@H](C)[C@@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000569111449 898348317 /nfs/dbraw/zinc/34/83/17/898348317.db2.gz TYEOOKOUMDUYQC-QRQCRPRQSA-N -1 3 379.460 3.577 20 0 GHADHM CCOC(=O)C1CCC(N(CC)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000509517377 898373478 /nfs/dbraw/zinc/37/34/78/898373478.db2.gz UDAFCSGFZQBISK-UHFFFAOYSA-N -1 3 398.507 3.755 20 0 GHADHM C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000800068883 898553834 /nfs/dbraw/zinc/55/38/34/898553834.db2.gz BWYURYBEYBWIQM-PRDAAYKISA-N -1 3 391.399 3.666 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1Cl ZINC000569426667 898648138 /nfs/dbraw/zinc/64/81/38/898648138.db2.gz YTTBGCKQRVGBBH-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000110619691 898732272 /nfs/dbraw/zinc/73/22/72/898732272.db2.gz POZSFVVTGKUZMX-UONOGXRCSA-N -1 3 398.406 3.819 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(-c2ccccc2Cl)s1 ZINC001136654200 898777191 /nfs/dbraw/zinc/77/71/91/898777191.db2.gz YAMIFKRRQGKBHT-KGXGESDWSA-N -1 3 387.892 3.710 20 0 GHADHM CC1CCN(C(=O)c2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cc2)CC1 ZINC000823088373 898843134 /nfs/dbraw/zinc/84/31/34/898843134.db2.gz HKUQTSLYGIYPNN-UHFFFAOYSA-N -1 3 380.370 3.553 20 0 GHADHM CC1CCN(C(=O)c2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cc2)CC1 ZINC000823088373 898843144 /nfs/dbraw/zinc/84/31/44/898843144.db2.gz HKUQTSLYGIYPNN-UHFFFAOYSA-N -1 3 380.370 3.553 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C(F)(F)F)c1F ZINC000823309326 898946247 /nfs/dbraw/zinc/94/62/47/898946247.db2.gz XFFIKJISFYFJGC-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C(F)(F)F)c1F ZINC000823309326 898946255 /nfs/dbraw/zinc/94/62/55/898946255.db2.gz XFFIKJISFYFJGC-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000331608442 899022708 /nfs/dbraw/zinc/02/27/08/899022708.db2.gz REVIRKMEYQBLGF-LJQANCHMSA-N -1 3 393.484 3.607 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000646201096 914318071 /nfs/dbraw/zinc/31/80/71/914318071.db2.gz QZNRRWYFTOSZHF-OLZOCXBDSA-N -1 3 397.406 3.579 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C/C=C/c2ccc(Br)cc2)n1 ZINC000823777174 899244888 /nfs/dbraw/zinc/24/48/88/899244888.db2.gz QSEICBLHHXFBEL-SNAWJCMRSA-N -1 3 390.281 3.708 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001136800811 899313372 /nfs/dbraw/zinc/31/33/72/899313372.db2.gz GDDORRYXOHHPTA-NDEPHWFRSA-N -1 3 393.468 3.620 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccn2[C@H](C)Cc2ccccc2)n1 ZINC000824155097 899429829 /nfs/dbraw/zinc/42/98/29/899429829.db2.gz XDGQCHKPHGRQBT-MRXNPFEDSA-N -1 3 378.476 3.761 20 0 GHADHM CC(C)[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000824206802 899453333 /nfs/dbraw/zinc/45/33/33/899453333.db2.gz JDSNCJDJHBPZNM-HNNXBMFYSA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000824206802 899453344 /nfs/dbraw/zinc/45/33/44/899453344.db2.gz JDSNCJDJHBPZNM-HNNXBMFYSA-N -1 3 379.917 3.696 20 0 GHADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1F ZINC000332264552 899528540 /nfs/dbraw/zinc/52/85/40/899528540.db2.gz VYZJNPCFNMAFHO-MRVPVSSYSA-N -1 3 375.828 3.821 20 0 GHADHM CCn1nc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c1C ZINC000332282621 899542108 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O=C(Cc1ccc([O-])c(Cl)c1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000630781121 907410555 /nfs/dbraw/zinc/41/05/55/907410555.db2.gz REXBBLNEMWQAGQ-UHFFFAOYSA-N -1 3 394.849 3.647 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)[N-]N2Cc3ccccc3C2=O)c1 ZINC000183876940 907470568 /nfs/dbraw/zinc/47/05/68/907470568.db2.gz NKPSTPAHFZWZLB-UHFFFAOYSA-N -1 3 385.851 3.625 20 0 GHADHM Brc1cc(Br)nc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175427141 907546456 /nfs/dbraw/zinc/54/64/56/907546456.db2.gz IEEVOWWFFVCZGR-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM Cc1cc(I)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427962 907548420 /nfs/dbraw/zinc/54/84/20/907548420.db2.gz CDKFVKCKOIMLKL-UHFFFAOYSA-N -1 3 377.189 3.523 20 0 GHADHM COC(=O)c1cc(Br)c([O-])c(Nc2ccc3c(C)[nH]nc3c2)c1 ZINC001175662368 907678647 /nfs/dbraw/zinc/67/86/47/907678647.db2.gz IWLQAILSWRHIQW-UHFFFAOYSA-N -1 3 376.210 3.870 20 0 GHADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cscc2Br)cs1 ZINC000631944916 907877893 /nfs/dbraw/zinc/87/78/93/907877893.db2.gz KRMXPDOJWYIIOU-ZETCQYMHSA-N -1 3 381.342 3.569 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cccc(Cl)c3)c2)ccc1O ZINC001176220559 907992436 /nfs/dbraw/zinc/99/24/36/907992436.db2.gz KIAFQTTUMLOCGB-UHFFFAOYSA-N -1 3 390.848 3.910 20 0 GHADHM O=C(NCCn1ccc(C(F)(F)F)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001176987642 908347496 /nfs/dbraw/zinc/34/74/96/908347496.db2.gz AFKLQAUDSMBPBI-UHFFFAOYSA-N -1 3 389.377 3.628 20 0 GHADHM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1CCN(Cc2ccccn2)CC1 ZINC001177213232 908457044 /nfs/dbraw/zinc/45/70/44/908457044.db2.gz ORNYFRQXFJAHBF-UHFFFAOYSA-N -1 3 379.382 3.657 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000299555334 921442552 /nfs/dbraw/zinc/44/25/52/921442552.db2.gz WWDXFGMJDCKTGI-CQSZACIVSA-N -1 3 394.450 3.544 20 0 GHADHM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000634832422 908839479 /nfs/dbraw/zinc/83/94/79/908839479.db2.gz CWWDATTTYSIFOF-CVDCTZTESA-N -1 3 388.552 3.779 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001178147153 908909086 /nfs/dbraw/zinc/90/90/86/908909086.db2.gz KKYFFCVUAMNOFH-BXUZGUMPSA-N -1 3 376.478 3.592 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000266306515 909071075 /nfs/dbraw/zinc/07/10/75/909071075.db2.gz LQFVNTFGPGSQOK-BTYIYWSLSA-N -1 3 388.471 3.705 20 0 GHADHM CCOCCCN(Cc1cc(C)c(F)cc1Br)C[C@@H](C)C(=O)[O-] ZINC000901680911 921465255 /nfs/dbraw/zinc/46/52/55/921465255.db2.gz HCEKYCGYJGWWLJ-CYBMUJFWSA-N -1 3 390.293 3.846 20 0 GHADHM O=C([O-])CCN(Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H]1CCCO1 ZINC000901682149 921468371 /nfs/dbraw/zinc/46/83/71/921468371.db2.gz RBINIWVOWYYSSV-OAHLLOKOSA-N -1 3 380.897 3.919 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(C)cc1Br ZINC001179075751 909376946 /nfs/dbraw/zinc/37/69/46/909376946.db2.gz JFMFSZOKIMMGOK-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(C)cc1Br ZINC001179075751 909376961 /nfs/dbraw/zinc/37/69/61/909376961.db2.gz JFMFSZOKIMMGOK-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182700 909397882 /nfs/dbraw/zinc/39/78/82/909397882.db2.gz IBHQQFCRLMQFKS-YFKPBYRVSA-N -1 3 397.582 3.730 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(ccnc2Cl)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182019 909398697 /nfs/dbraw/zinc/39/86/97/909398697.db2.gz AFRRKRFZLNGNTL-RXMQYKEDSA-N -1 3 375.763 3.578 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(C)c(Br)cc2C)n1 ZINC000636109721 909430361 /nfs/dbraw/zinc/43/03/61/909430361.db2.gz GSAJGMRAMDIDHT-UHFFFAOYSA-N -1 3 378.270 3.535 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)n1 ZINC000636109748 909430537 /nfs/dbraw/zinc/43/05/37/909430537.db2.gz HWOWHTZMOAZFQP-DOTOQJQBSA-N -1 3 377.529 3.998 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3c(s2)-c2ccccc2OC3)n1 ZINC000636115001 909434797 /nfs/dbraw/zinc/43/47/97/909434797.db2.gz STHPNRZKQXOKAR-UHFFFAOYSA-N -1 3 381.457 3.777 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(COc2ccccc2)cc1 ZINC000636318383 909535901 /nfs/dbraw/zinc/53/59/01/909535901.db2.gz SZAYESBFUOIJKQ-UHFFFAOYSA-N -1 3 389.455 3.959 20 0 GHADHM Cc1cc(C)c(Br)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636320117 909539476 /nfs/dbraw/zinc/53/94/76/909539476.db2.gz GFBRSYCDMRNXTG-UHFFFAOYSA-N -1 3 390.281 3.759 20 0 GHADHM COc1ccc(SCCCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636320379 909541041 /nfs/dbraw/zinc/54/10/41/909541041.db2.gz LRZNKNZORCHYMW-UHFFFAOYSA-N -1 3 387.505 3.647 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001179635101 909635416 /nfs/dbraw/zinc/63/54/16/909635416.db2.gz GYWHUBLWCILQQI-ZDUSSCGKSA-N -1 3 390.505 3.984 20 0 GHADHM Cn1cc([C@@H]([N-]C(=O)c2ccc(C(F)(F)F)nc2Cl)C(F)(F)F)cn1 ZINC000773840585 909959799 /nfs/dbraw/zinc/95/97/99/909959799.db2.gz SALXBLRGDCKWPK-SECBINFHSA-N -1 3 386.683 3.521 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1Cl ZINC001180222909 910023153 /nfs/dbraw/zinc/02/31/53/910023153.db2.gz ZAGPHKHHBBCHSZ-KKUMJFAQSA-N -1 3 389.883 3.754 20 0 GHADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(Br)cc1C(F)(F)F ZINC000901779322 921557194 /nfs/dbraw/zinc/55/71/94/921557194.db2.gz KWOJTMWAHDVJQC-SECBINFHSA-N -1 3 394.109 3.963 20 0 GHADHM CCOC(=O)C[C@@H]1CCN(C(=O)c2[n-]cnc2C(F)(F)F)c2ccccc21 ZINC001180567075 910242351 /nfs/dbraw/zinc/24/23/51/910242351.db2.gz BVCSJWJBQPGNEV-NSHDSACASA-N -1 3 381.354 3.516 20 0 GHADHM CCOC(=O)C[C@@H]1CCN(C(=O)c2nc[n-]c2C(F)(F)F)c2ccccc21 ZINC001180567075 910242367 /nfs/dbraw/zinc/24/23/67/910242367.db2.gz BVCSJWJBQPGNEV-NSHDSACASA-N -1 3 381.354 3.516 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)c(=O)[n-]1 ZINC000269824623 910363023 /nfs/dbraw/zinc/36/30/23/910363023.db2.gz RAQHNNSQRWWMEC-UHFFFAOYSA-N -1 3 391.475 3.824 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](C)OCc3ccccc3)n[n-]2)cc1 ZINC001180832387 910367596 /nfs/dbraw/zinc/36/75/96/910367596.db2.gz IUEDUYYDFDFUAH-HNNXBMFYSA-N -1 3 382.489 3.949 20 0 GHADHM COC[C@](C)(CC(=O)[O-])NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000901794700 921572948 /nfs/dbraw/zinc/57/29/48/921572948.db2.gz JCWINLBQPSIZSL-FQEVSTJZSA-N -1 3 393.915 3.793 20 0 GHADHM O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1F ZINC000639523150 910483851 /nfs/dbraw/zinc/48/38/51/910483851.db2.gz WFCCDFQCRJDYAJ-UHFFFAOYSA-N -1 3 390.842 3.718 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H]1c1ccsc1 ZINC000640292262 910953081 /nfs/dbraw/zinc/95/30/81/910953081.db2.gz IWBXVTOWKYGEAQ-NSHDSACASA-N -1 3 378.807 3.951 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640293210 910953297 /nfs/dbraw/zinc/95/32/97/910953297.db2.gz URMZODUUHMPRSR-UHFFFAOYSA-N -1 3 390.793 3.630 20 0 GHADHM CC(C)[C@H]1N(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC12CC=CC2 ZINC000640304012 910961242 /nfs/dbraw/zinc/96/12/42/910961242.db2.gz XSPSMWOOLADLNP-GFCCVEGCSA-N -1 3 376.810 3.729 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCCCS2)no1 ZINC000273866871 911069871 /nfs/dbraw/zinc/06/98/71/911069871.db2.gz COPITUJJSDHMIT-GXFFZTMASA-N -1 3 387.914 3.721 20 0 GHADHM CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccsc3)cc2Cl)CC1 ZINC000795558711 911147626 /nfs/dbraw/zinc/14/76/26/911147626.db2.gz YXLUBLKKBWBBIQ-UHFFFAOYSA-N -1 3 399.969 3.734 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CCCCC1 ZINC001182219345 911309722 /nfs/dbraw/zinc/30/97/22/911309722.db2.gz YVADOABEYFWZFG-UHFFFAOYSA-N -1 3 375.476 3.676 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CCCCC1 ZINC001182219345 911309743 /nfs/dbraw/zinc/30/97/43/911309743.db2.gz YVADOABEYFWZFG-UHFFFAOYSA-N -1 3 375.476 3.676 20 0 GHADHM CC[C@@](NCc1c(C)nc2sc(C)nn21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871586 921667292 /nfs/dbraw/zinc/66/72/92/921667292.db2.gz DXJOMRYZMYDACX-KRWDZBQOSA-N -1 3 378.885 3.541 20 0 GHADHM C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Br)ccc1[O-] ZINC001182415807 911628329 /nfs/dbraw/zinc/62/83/29/911628329.db2.gz LWSYSZPNXCXFJZ-JTQLQIEISA-N -1 3 378.222 3.701 20 0 GHADHM Cc1cc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)ccc1Oc1cccnc1 ZINC000901879072 921679278 /nfs/dbraw/zinc/67/92/78/921679278.db2.gz LITXDCVCGFDDNF-UHFFFAOYSA-N -1 3 392.459 3.914 20 0 GHADHM COc1c(Br)cccc1CN1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000901888146 921696060 /nfs/dbraw/zinc/69/60/60/921696060.db2.gz RNPCUSPATAJTGM-HOTGVXAUSA-N -1 3 390.277 3.758 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000642323334 911980872 /nfs/dbraw/zinc/98/08/72/911980872.db2.gz GYXIRPKMNHCFFC-OAHLLOKOSA-N -1 3 392.249 3.965 20 0 GHADHM COc1ccc2[nH]cc(CC(=O)Nc3ccc(Br)cc3[O-])c2c1 ZINC000642373651 912027804 /nfs/dbraw/zinc/02/78/04/912027804.db2.gz KDLDYPHRUUMVKB-UHFFFAOYSA-N -1 3 375.222 3.826 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc(=O)[n-]1 ZINC001182923646 912108268 /nfs/dbraw/zinc/10/82/68/912108268.db2.gz SOXYBOXNUQSPHX-LURJTMIESA-N -1 3 376.627 3.857 20 0 GHADHM CC[C@](CNCc1nnn(-c2ccccc2)c1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000901900114 921716634 /nfs/dbraw/zinc/71/66/34/921716634.db2.gz UGLSFSKZYHCKLC-HSZRJFAPSA-N -1 3 390.487 3.667 20 0 GHADHM O=C(NCc1nccc(C(F)(F)F)n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001299411847 912124439 /nfs/dbraw/zinc/12/44/39/912124439.db2.gz OVLPTUOUVPTJTK-UHFFFAOYSA-N -1 3 389.333 3.923 20 0 GHADHM C[C@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000248513170 912163068 /nfs/dbraw/zinc/16/30/68/912163068.db2.gz CWFWPRBXQPWPPI-CIQXWFTPSA-N -1 3 398.547 3.574 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cnn1Cc1ccccc1 ZINC000642583158 912188899 /nfs/dbraw/zinc/18/88/99/912188899.db2.gz KFYJNDXTYRKLCF-UHFFFAOYSA-N -1 3 376.420 3.514 20 0 GHADHM C[C@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC000901910842 921726751 /nfs/dbraw/zinc/72/67/51/921726751.db2.gz JDXXAYLLILPJBZ-NSHDSACASA-N -1 3 397.903 3.949 20 0 GHADHM CCOCCOc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001187158737 915038276 /nfs/dbraw/zinc/03/82/76/915038276.db2.gz NOYRZTLJOYXLCB-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2)ccc1C)C(C)C ZINC000647124391 915039345 /nfs/dbraw/zinc/03/93/45/915039345.db2.gz CUHDEBGKALUPLG-LJQANCHMSA-N -1 3 390.505 3.660 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2cccs2)c1)C1CCOCC1 ZINC000647126178 915040985 /nfs/dbraw/zinc/04/09/85/915040985.db2.gz BUGUMZAJWVCQJW-KRWDZBQOSA-N -1 3 381.519 3.598 20 0 GHADHM CCC1([N-]S(=O)(=O)c2c(Cl)nc3sccn32)CCC(F)(F)CC1 ZINC001187170627 915092870 /nfs/dbraw/zinc/09/28/70/915092870.db2.gz IHQFOKIWELIVCJ-UHFFFAOYSA-N -1 3 383.873 3.686 20 0 GHADHM CCOCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1Br ZINC001187283489 915149895 /nfs/dbraw/zinc/14/98/95/915149895.db2.gz KDYBLDDGDSTCOX-UHFFFAOYSA-N -1 3 377.087 3.534 20 0 GHADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)o1 ZINC001187397593 915220693 /nfs/dbraw/zinc/22/06/93/915220693.db2.gz VAAKJRGPZHLWSK-JTQLQIEISA-N -1 3 395.374 3.925 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1cccc(Br)c1 ZINC001187469141 915280285 /nfs/dbraw/zinc/28/02/85/915280285.db2.gz CWZWOMQPYJXEFE-UHFFFAOYSA-N -1 3 383.173 3.724 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000775121698 915294275 /nfs/dbraw/zinc/29/42/75/915294275.db2.gz HLFNBIGZHCFTOU-UHFFFAOYSA-N -1 3 392.502 3.674 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000647482752 915296971 /nfs/dbraw/zinc/29/69/71/915296971.db2.gz MPEOGYYWBIDSHO-UHFFFAOYSA-N -1 3 383.448 3.593 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)no1 ZINC000291655389 915301723 /nfs/dbraw/zinc/30/17/23/915301723.db2.gz IRLIJAMAKMORAX-UHFFFAOYSA-N -1 3 398.428 3.549 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1F ZINC000775129278 915368432 /nfs/dbraw/zinc/36/84/32/915368432.db2.gz VTEOGBNLTGPYHG-SECBINFHSA-N -1 3 389.807 3.908 20 0 GHADHM Cc1ccc(OCc2nc(CC(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)cs2)cc1 ZINC000647801920 915391494 /nfs/dbraw/zinc/39/14/94/915391494.db2.gz BGLCRNKZMPBQHK-UHFFFAOYSA-N -1 3 394.456 3.794 20 0 GHADHM O=C(CCCOc1cccc(Br)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803628 915391601 /nfs/dbraw/zinc/39/16/01/915391601.db2.gz VRIFPTUBDFNRQV-UHFFFAOYSA-N -1 3 390.237 3.829 20 0 GHADHM O=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1[n-]nnc1C(F)(F)F ZINC001187766119 915512586 /nfs/dbraw/zinc/51/25/86/915512586.db2.gz HEDCGZBFORPDQA-UHFFFAOYSA-N -1 3 387.365 3.639 20 0 GHADHM O=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1nn[n-]c1C(F)(F)F ZINC001187766119 915512600 /nfs/dbraw/zinc/51/26/00/915512600.db2.gz HEDCGZBFORPDQA-UHFFFAOYSA-N -1 3 387.365 3.639 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c(=O)[n-]1 ZINC000292339167 915624255 /nfs/dbraw/zinc/62/42/55/915624255.db2.gz PBEDQAILYJOBHS-MRXNPFEDSA-N -1 3 391.924 3.778 20 0 GHADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000901983638 921790274 /nfs/dbraw/zinc/79/02/74/921790274.db2.gz SLJWFHXMEPHLNT-SFHVURJKSA-N -1 3 375.465 3.797 20 0 GHADHM CCc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cnn1C1CCCC1 ZINC000648432280 915698714 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GHADHM COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)c(F)c1 ZINC001188205859 915828481 /nfs/dbraw/zinc/82/84/81/915828481.db2.gz ASWQPAKWRPMIPI-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM CC(C)(C)OC(=O)N(CC[N-]S(=O)(=O)c1ccco1)C1CCCCCC1 ZINC001188231504 915847929 /nfs/dbraw/zinc/84/79/29/915847929.db2.gz SBCXGASHEWQVMF-UHFFFAOYSA-N -1 3 386.514 3.518 20 0 GHADHM Cc1ccc(CN(CC2CC2)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cn1 ZINC000649012102 915989198 /nfs/dbraw/zinc/98/91/98/915989198.db2.gz PQPAFVYDNNBLFW-UHFFFAOYSA-N -1 3 383.398 3.562 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000649167460 916049880 /nfs/dbraw/zinc/04/98/80/916049880.db2.gz SAZYUEMHSDIZIW-FXPVBKGRSA-N -1 3 395.684 3.862 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@H](c4nc(C5CC5)no4)C3)c2c1 ZINC000649394233 916136810 /nfs/dbraw/zinc/13/68/10/916136810.db2.gz CFVMEUJUYAMVRK-CQSZACIVSA-N -1 3 378.432 3.804 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cn(-c3cccc(C)c3)nc2C)cc1 ZINC000649505273 916195995 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CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2F)c1 ZINC001189229238 916478933 /nfs/dbraw/zinc/47/89/33/916478933.db2.gz CEMDJIOKBCQWRG-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189339918 916567353 /nfs/dbraw/zinc/56/73/53/916567353.db2.gz LTAIKGAOLHDFDN-UHFFFAOYSA-N -1 3 388.115 3.850 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1ccc(F)c2ccccc21 ZINC001189354104 916591923 /nfs/dbraw/zinc/59/19/23/916591923.db2.gz AXPHYDDXGOKCSC-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1ccc(Br)cc1F ZINC001189404666 916611301 /nfs/dbraw/zinc/61/13/01/916611301.db2.gz USBCHPYPLXVONJ-UHFFFAOYSA-N -1 3 384.270 3.642 20 0 GHADHM O=C(Nc1cncc([O-])c1)c1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC001189426921 916629724 /nfs/dbraw/zinc/62/97/24/916629724.db2.gz YYXUSLKYHPPXOX-UHFFFAOYSA-N -1 3 376.347 3.896 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC001189500888 916681186 /nfs/dbraw/zinc/68/11/86/916681186.db2.gz 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376.375 3.539 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2F)cc1 ZINC001190448759 917351252 /nfs/dbraw/zinc/35/12/52/917351252.db2.gz ZHQKMELAAOFLJI-UHFFFAOYSA-N -1 3 378.469 3.674 20 0 GHADHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000295658405 917403690 /nfs/dbraw/zinc/40/36/90/917403690.db2.gz IBGCJHYYBZGEMG-LSDHHAIUSA-N -1 3 386.489 3.977 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC1CC1)c1ccccc1 ZINC001190601654 917440898 /nfs/dbraw/zinc/44/08/98/917440898.db2.gz BCCFHRCDCLUQMF-QGZVFWFLSA-N -1 3 393.892 3.946 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910729 917659623 /nfs/dbraw/zinc/65/96/23/917659623.db2.gz WVRIFBRHEUJSJO-SECBINFHSA-N -1 3 381.657 3.790 20 0 GHADHM O=C(N[C@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(=O)[n-]c1Cl ZINC001190918251 917662162 /nfs/dbraw/zinc/66/21/62/917662162.db2.gz NZQLFDBGGXIVGG-MRXNPFEDSA-N -1 3 378.831 3.868 20 0 GHADHM CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190917789 917662200 /nfs/dbraw/zinc/66/22/00/917662200.db2.gz FRMIWJDFKFORTB-HNNXBMFYSA-N -1 3 390.867 3.514 20 0 GHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001190958993 917664808 /nfs/dbraw/zinc/66/48/08/917664808.db2.gz QTMQZHCBSIYYSP-RFAUZJTJSA-N -1 3 375.343 3.645 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000651605143 917676538 /nfs/dbraw/zinc/67/65/38/917676538.db2.gz XSYPLRKBJUQOHD-UHFFFAOYSA-N -1 3 393.353 3.631 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3[nH]2)sc1Cl ZINC001191139858 917808879 /nfs/dbraw/zinc/80/88/79/917808879.db2.gz HBONRBYMJVAYHM-UHFFFAOYSA-N -1 3 376.290 3.718 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1 ZINC001191277698 917891018 /nfs/dbraw/zinc/89/10/18/917891018.db2.gz XFWOYCOCOHTMEQ-UHFFFAOYSA-N -1 3 381.194 3.553 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H](C2CC2)C1)c1ccc(Br)cc1F ZINC001191548513 918066073 /nfs/dbraw/zinc/06/60/73/918066073.db2.gz WZIYLQHTYQMGRJ-WCQYABFASA-N -1 3 376.291 3.835 20 0 GHADHM O=S(=O)(CCc1ccccc1Cl)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC001191829104 918252087 /nfs/dbraw/zinc/25/20/87/918252087.db2.gz QHDPSFRXJDWULC-GOSISDBHSA-N -1 3 390.892 3.774 20 0 GHADHM O=C(c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc1)N1CCCC1 ZINC001191894568 918284995 /nfs/dbraw/zinc/28/49/95/918284995.db2.gz YOLVOKWZVMPWJY-UHFFFAOYSA-N -1 3 396.871 3.657 20 0 GHADHM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc1 ZINC001191898114 918288949 /nfs/dbraw/zinc/28/89/49/918288949.db2.gz NLWCUUAEUCUZDK-UHFFFAOYSA-N -1 3 384.860 3.559 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1noc(-c2ccccc2)n1 ZINC000296507751 918340603 /nfs/dbraw/zinc/34/06/03/918340603.db2.gz ZOVBQDKGNKUEIR-OCCSQVGLSA-N -1 3 385.436 3.543 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000363594684 918481055 /nfs/dbraw/zinc/48/10/55/918481055.db2.gz DWIVXMAFWVKRMM-UHFFFAOYSA-N -1 3 379.388 3.659 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000115907703 919481298 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COc1ccc([O-])c(-c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)c1 ZINC000758282338 930001287 /nfs/dbraw/zinc/00/12/87/930001287.db2.gz CEQKMYRTXYIOJD-UHFFFAOYSA-N -1 3 375.425 3.745 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469816773 930180918 /nfs/dbraw/zinc/18/09/18/930180918.db2.gz OIBNDPDFRQTTJD-UHFFFAOYSA-N -1 3 379.472 3.871 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000546635387 930313760 /nfs/dbraw/zinc/31/37/60/930313760.db2.gz FCLIQZLHZPPKPY-CYBMUJFWSA-N -1 3 386.926 3.699 20 0 GHADHM CCOc1c(C)cc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000759308801 930338127 /nfs/dbraw/zinc/33/81/27/930338127.db2.gz NELBLFKVMFPLEG-UHFFFAOYSA-N -1 3 395.452 3.570 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000759357380 930349908 /nfs/dbraw/zinc/34/99/08/930349908.db2.gz AFYLWJXOGWOCOT-GFCCVEGCSA-N -1 3 399.415 3.886 20 0 GHADHM COc1cc(C(=O)OCc2sc(C)nc2C(F)(F)F)cc(OC)c1[O-] ZINC000759594698 930418309 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GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1csc(Cc2ccccc2)n1 ZINC000782815082 931340749 /nfs/dbraw/zinc/34/07/49/931340749.db2.gz CPSGDLUWAXRQSB-UHFFFAOYSA-N -1 3 393.424 3.847 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1N1CCOCC1 ZINC000782915790 931365645 /nfs/dbraw/zinc/36/56/45/931365645.db2.gz GTUVZWYCVYKYHE-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)c(Cl)nc1Cl ZINC000783406830 931539899 /nfs/dbraw/zinc/53/98/99/931539899.db2.gz AFCYKKSACFGGEI-UHFFFAOYSA-N -1 3 384.150 3.640 20 0 GHADHM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000783600521 931592604 /nfs/dbraw/zinc/59/26/04/931592604.db2.gz DCGFFWHBAMVORQ-UHFFFAOYSA-N -1 3 383.408 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncccc2[O-])(c2ccccc2)CC1 ZINC000783645280 931606464 /nfs/dbraw/zinc/60/64/64/931606464.db2.gz PCZOJPAESSICKF-UHFFFAOYSA-N -1 3 397.475 3.695 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc(C(F)(F)F)c1F ZINC000784044556 931765517 /nfs/dbraw/zinc/76/55/17/931765517.db2.gz FVTLYNFZUGQCCZ-UHFFFAOYSA-N -1 3 382.269 3.957 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1sc2cc(F)ccc2c1C ZINC000558155252 931862286 /nfs/dbraw/zinc/86/22/86/931862286.db2.gz GFCILFHWLJDKKF-UHFFFAOYSA-N -1 3 390.392 3.502 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1C(C)C ZINC000784361665 931868543 /nfs/dbraw/zinc/86/85/43/931868543.db2.gz SCSLQDPGKVPUFV-UHFFFAOYSA-N -1 3 383.404 3.762 20 0 GHADHM COc1ccc(CCCC(=O)OCc2noc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000784368190 931870809 /nfs/dbraw/zinc/87/08/09/931870809.db2.gz OHVMOMRUHZPVCS-UHFFFAOYSA-N -1 3 398.415 3.526 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)Cc3cc(Cl)cc4c3OCC4)c2)n1 ZINC000784520665 931923505 /nfs/dbraw/zinc/92/35/05/931923505.db2.gz MKQLEOQUKONIAR-UHFFFAOYSA-N -1 3 396.830 3.894 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C(C)(C)c3ccc4c(c3)OCO4)c2)n1 ZINC000796911205 932106801 /nfs/dbraw/zinc/10/68/01/932106801.db2.gz OEKMZYWDSXVBBG-UHFFFAOYSA-N -1 3 392.411 3.770 20 0 GHADHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(Cl)nn1 ZINC000798157005 932547963 /nfs/dbraw/zinc/54/79/63/932547963.db2.gz OPQPNHQXBYJCPZ-UHFFFAOYSA-N -1 3 375.885 3.702 20 0 GHADHM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000559564964 932734980 /nfs/dbraw/zinc/73/49/80/932734980.db2.gz GIALZMNTTRNTKN-GFCCVEGCSA-N -1 3 380.822 3.843 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)[n-]1 ZINC000559666375 932785362 /nfs/dbraw/zinc/78/53/62/932785362.db2.gz NADTZNXSXLIQIC-UHFFFAOYSA-N -1 3 393.371 3.779 20 0 GHADHM O=C1CCN1c1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000799127579 932884073 /nfs/dbraw/zinc/88/40/73/932884073.db2.gz VQSQSVNSELECMH-UHFFFAOYSA-N -1 3 386.473 3.546 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H]2c2cncc(Br)c2)c([O-])c1 ZINC000928357108 932941499 /nfs/dbraw/zinc/94/14/99/932941499.db2.gz HAALSMSMTLQFCA-HNNXBMFYSA-N -1 3 377.238 3.536 20 0 GHADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCCC2(C)C)c1Cl ZINC000799495340 933019819 /nfs/dbraw/zinc/01/98/19/933019819.db2.gz MVGKYLBIRXJZSF-NSHDSACASA-N -1 3 380.293 3.637 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000799783811 933118219 /nfs/dbraw/zinc/11/82/19/933118219.db2.gz JUCRSOBWSZNHJO-INIZCTEOSA-N -1 3 376.497 3.722 20 0 GHADHM Cc1ccc(-c2cc(C(=O)[N-]c3c(Cl)ncnc3-n3cccn3)on2)cc1 ZINC001116280453 933453694 /nfs/dbraw/zinc/45/36/94/933453694.db2.gz SYDKNMDAXPZPRL-UHFFFAOYSA-N -1 3 380.795 3.531 20 0 GHADHM C/C(=C/c1cccc(Cl)c1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001116390283 933530540 /nfs/dbraw/zinc/53/05/40/933530540.db2.gz JMZORQUGWBPHQK-XFXZXTDPSA-N -1 3 396.871 3.570 20 0 GHADHM O=c1cc(CS(=O)(=O)Cc2cc(Cl)sc2Cl)nc(C2CC2)[n-]1 ZINC000560913148 933684323 /nfs/dbraw/zinc/68/43/23/933684323.db2.gz KLWDNMPLQHQLCT-UHFFFAOYSA-N -1 3 379.290 3.543 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccn(-c4ccncc4)n3)nc(=O)c2c1C ZINC001116791209 933757847 /nfs/dbraw/zinc/75/78/47/933757847.db2.gz FMXSFXVOXAQQTR-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM O=C(Nc1ncc(-c2cccnc2)s1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000561024140 933794054 /nfs/dbraw/zinc/79/40/54/933794054.db2.gz GPMOASBZUPQFPU-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(CN(C)C)c3)cc2o1 ZINC001116905210 933821126 /nfs/dbraw/zinc/82/11/26/933821126.db2.gz SFKLJSTVVGZTLD-UHFFFAOYSA-N -1 3 379.869 3.652 20 0 GHADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000561119078 933883847 /nfs/dbraw/zinc/88/38/47/933883847.db2.gz JKXNBVCGPQRUPP-ZDUSSCGKSA-N -1 3 380.473 3.576 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H](CC2CC2)C1 ZINC000561374346 934090741 /nfs/dbraw/zinc/09/07/41/934090741.db2.gz OQZQMEBOVTUIJU-GFCCVEGCSA-N -1 3 375.266 3.553 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1cccnc1C(F)(F)F ZINC000561517937 934235028 /nfs/dbraw/zinc/23/50/28/934235028.db2.gz JASBSNBWMGAQJL-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@H](c3ccc(Cl)s3)C2)o1 ZINC001119251208 934319029 /nfs/dbraw/zinc/31/90/29/934319029.db2.gz SSRZIXKUVZOJPH-ZDUSSCGKSA-N -1 3 377.853 3.731 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1nnc2n1CCCCC2 ZINC000931592895 934632764 /nfs/dbraw/zinc/63/27/64/934632764.db2.gz YEFXWIREISNIDM-CYBMUJFWSA-N -1 3 397.857 3.721 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC001121760529 934757675 /nfs/dbraw/zinc/75/76/75/934757675.db2.gz BIOXIFVPROFPTA-WBMJQRKESA-N -1 3 394.479 3.654 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2CC2CC2)cc(=O)[n-]1 ZINC001123420189 935189016 /nfs/dbraw/zinc/18/90/16/935189016.db2.gz OGOSSXAMBVOYNL-GOSISDBHSA-N -1 3 394.454 3.640 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3csc(C4CCCCC4)c3)C2)n1 ZINC001123911851 935318755 /nfs/dbraw/zinc/31/87/55/935318755.db2.gz FFYRYYZMXWIHOV-MRXNPFEDSA-N -1 3 386.521 3.609 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]3(C)COc4ccccc4O3)c2)n1 ZINC001125083235 935522326 /nfs/dbraw/zinc/52/23/26/935522326.db2.gz YQTYVMVUMDBDSP-JOCHJYFZSA-N -1 3 391.427 3.580 20 0 GHADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccc(I)cc1 ZINC001137580773 935599716 /nfs/dbraw/zinc/59/97/16/935599716.db2.gz YFGMDNSKDMKCQG-VIFPVBQESA-N -1 3 385.176 3.878 20 0 GHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829640444 935837678 /nfs/dbraw/zinc/83/76/78/935837678.db2.gz QOJDCEPHWMCTPO-SFHVURJKSA-N -1 3 384.476 3.921 20 0 GHADHM COc1ccc([C@H](CO)N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC001137877017 935840048 /nfs/dbraw/zinc/84/00/48/935840048.db2.gz FZNLLFMERDOEPC-QFIPXVFZSA-N -1 3 391.467 3.797 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccc(C(F)(F)F)nc1Cl ZINC000830425676 935943773 /nfs/dbraw/zinc/94/37/73/935943773.db2.gz XPCFUHZNNSWVPC-SSDOTTSWSA-N -1 3 378.763 3.709 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908885208 939344824 /nfs/dbraw/zinc/34/48/24/939344824.db2.gz TUKZRCKQTSPNHV-UXPWSPDFSA-N -1 3 387.524 3.545 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC001573550922 946866948 /nfs/dbraw/zinc/86/69/48/946866948.db2.gz DRQSHBSKOBJAJD-UHFFFAOYSA-N -1 3 392.806 3.523 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC001573550922 946866961 /nfs/dbraw/zinc/86/69/61/946866961.db2.gz DRQSHBSKOBJAJD-UHFFFAOYSA-N -1 3 392.806 3.523 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573365584 947731117 /nfs/dbraw/zinc/73/11/17/947731117.db2.gz MNNVHUPKJFLBMP-ICFOKQHNSA-N -1 3 387.487 3.985 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573365584 947731118 /nfs/dbraw/zinc/73/11/18/947731118.db2.gz MNNVHUPKJFLBMP-ICFOKQHNSA-N -1 3 387.487 3.985 20 0 GHADHM CC(=CC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001573365980 947736715 /nfs/dbraw/zinc/73/67/15/947736715.db2.gz VNVKPQBOUBFSRK-TWGQIWQCSA-N -1 3 375.219 3.611 20 0 GHADHM CC(=CC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001573365980 947736729 /nfs/dbraw/zinc/73/67/29/947736729.db2.gz VNVKPQBOUBFSRK-TWGQIWQCSA-N -1 3 375.219 3.611 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573367361 947758946 /nfs/dbraw/zinc/75/89/46/947758946.db2.gz ZUTNNYKYYGKQMV-ACCUITESSA-N -1 3 381.867 3.975 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573367361 947758953 /nfs/dbraw/zinc/75/89/53/947758953.db2.gz ZUTNNYKYYGKQMV-ACCUITESSA-N -1 3 381.867 3.975 20 0 GHADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001574421443 948820097 /nfs/dbraw/zinc/82/00/97/948820097.db2.gz KOQWLUYSVNFGIC-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001574421443 948820113 /nfs/dbraw/zinc/82/01/13/948820113.db2.gz KOQWLUYSVNFGIC-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)(C(=O)N1CC[C@@H](C2CCCCC2)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573761990 948849075 /nfs/dbraw/zinc/84/90/75/948849075.db2.gz NLPAKEJYWGZMNG-OAHLLOKOSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)(C(=O)N1CC[C@@H](C2CCCCC2)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573761990 948849086 /nfs/dbraw/zinc/84/90/86/948849086.db2.gz NLPAKEJYWGZMNG-OAHLLOKOSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001574087753 948897559 /nfs/dbraw/zinc/89/75/59/948897559.db2.gz AHTNHYGEBVVNBK-DENIHFKCSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001574087753 948897577 /nfs/dbraw/zinc/89/75/77/948897577.db2.gz AHTNHYGEBVVNBK-DENIHFKCSA-N -1 3 391.475 3.610 20 0 GHADHM C[C@@H](Sc1ccncc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001575504018 949057481 /nfs/dbraw/zinc/05/74/81/949057481.db2.gz QTZBJFFGXPLYPE-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccncc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001575504018 949057501 /nfs/dbraw/zinc/05/75/01/949057501.db2.gz QTZBJFFGXPLYPE-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM CC(C)(C(=O)NCC1(c2ccccc2F)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573779455 949063665 /nfs/dbraw/zinc/06/36/65/949063665.db2.gz IPFDREAPBYOXRZ-UHFFFAOYSA-N -1 3 393.466 3.522 20 0 GHADHM CC(C)(C(=O)NCC1(c2ccccc2F)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573779455 949063683 /nfs/dbraw/zinc/06/36/83/949063683.db2.gz IPFDREAPBYOXRZ-UHFFFAOYSA-N -1 3 393.466 3.522 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C(F)F)ccc1F ZINC001575504312 949070868 /nfs/dbraw/zinc/07/08/68/949070868.db2.gz PYBOYTGCCPTSDT-JTQLQIEISA-N -1 3 375.354 3.777 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C(F)F)ccc1F ZINC001575504312 949070887 /nfs/dbraw/zinc/07/08/87/949070887.db2.gz PYBOYTGCCPTSDT-JTQLQIEISA-N -1 3 375.354 3.777 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001574092592 949071408 /nfs/dbraw/zinc/07/14/08/949071408.db2.gz SAVQKLNHOUBHHP-NEPJUHHUSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001574092592 949071427 /nfs/dbraw/zinc/07/14/27/949071427.db2.gz SAVQKLNHOUBHHP-NEPJUHHUSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574093812 949120281 /nfs/dbraw/zinc/12/02/81/949120281.db2.gz ZDOHKHGFLWILNO-UZLBHIALSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574093812 949120299 /nfs/dbraw/zinc/12/02/99/949120299.db2.gz ZDOHKHGFLWILNO-UZLBHIALSA-N -1 3 378.436 3.675 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Cl)c(Cl)c1N ZINC001575513788 949155068 /nfs/dbraw/zinc/15/50/68/949155068.db2.gz SWAGZLHQXSEXFH-VIFPVBQESA-N -1 3 391.262 3.589 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Cl)c(Cl)c1N ZINC001575513788 949155080 /nfs/dbraw/zinc/15/50/80/949155080.db2.gz SWAGZLHQXSEXFH-VIFPVBQESA-N -1 3 391.262 3.589 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C1 ZINC001576154009 949313147 /nfs/dbraw/zinc/31/31/47/949313147.db2.gz OGRNCQOBKICMRP-XUJVJEKNSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C1 ZINC001576154009 949313164 /nfs/dbraw/zinc/31/31/64/949313164.db2.gz OGRNCQOBKICMRP-XUJVJEKNSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574477662 949669655 /nfs/dbraw/zinc/66/96/55/949669655.db2.gz QBTXEMOAPWROQH-KRWDZBQOSA-N -1 3 398.470 3.989 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574477662 949669668 /nfs/dbraw/zinc/66/96/68/949669668.db2.gz QBTXEMOAPWROQH-KRWDZBQOSA-N -1 3 398.470 3.989 20 0 GHADHM CC(C)(C)Cc1ncc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)s1 ZINC001573855310 950368430 /nfs/dbraw/zinc/36/84/30/950368430.db2.gz PXSWHYSLDOJZAN-UHFFFAOYSA-N -1 3 382.493 3.505 20 0 GHADHM CC(C)(C)Cc1ncc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)s1 ZINC001573855310 950368449 /nfs/dbraw/zinc/36/84/49/950368449.db2.gz PXSWHYSLDOJZAN-UHFFFAOYSA-N -1 3 382.493 3.505 20 0 GHADHM CC(C)CC1(C)CCN(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001574167620 950489719 /nfs/dbraw/zinc/48/97/19/950489719.db2.gz GNBLEVIXLGPWER-UHFFFAOYSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)CC1(C)CCN(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001574167620 950489731 /nfs/dbraw/zinc/48/97/31/950489731.db2.gz GNBLEVIXLGPWER-UHFFFAOYSA-N -1 3 385.487 3.712 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC=CCC1 ZINC001575614686 950547547 /nfs/dbraw/zinc/54/75/47/950547547.db2.gz MPNSEDNPGYMBEY-FQEVSTJZSA-N -1 3 376.420 3.739 20 0 GHADHM CC1(C)C(C)(C)C1(C)C(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1 ZINC001575622680 950643863 /nfs/dbraw/zinc/64/38/63/950643863.db2.gz GCDQAZCLUWWATI-UHFFFAOYSA-N -1 3 393.285 3.745 20 0 GHADHM CC1(C)C(C)(C)C1(C)C(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1 ZINC001575622680 950643875 /nfs/dbraw/zinc/64/38/75/950643875.db2.gz GCDQAZCLUWWATI-UHFFFAOYSA-N -1 3 393.285 3.745 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)c2-c2nnn[n-]2)C1 ZINC001576214402 950670550 /nfs/dbraw/zinc/67/05/50/950670550.db2.gz AAKMMZMYOZICGO-ONERCXAPSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)c2-c2nn[n-]n2)C1 ZINC001576214402 950670556 /nfs/dbraw/zinc/67/05/56/950670556.db2.gz AAKMMZMYOZICGO-ONERCXAPSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001574520281 950720349 /nfs/dbraw/zinc/72/03/49/950720349.db2.gz OYVJOBWFTQUNJB-RDTXWAMCSA-N -1 3 393.447 3.803 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001574520281 950720362 /nfs/dbraw/zinc/72/03/62/950720362.db2.gz OYVJOBWFTQUNJB-RDTXWAMCSA-N -1 3 393.447 3.803 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001575631498 950773893 /nfs/dbraw/zinc/77/38/93/950773893.db2.gz MPUWHMAIGAGQJU-OAHLLOKOSA-N -1 3 394.479 3.707 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001575631498 950773911 /nfs/dbraw/zinc/77/39/11/950773911.db2.gz MPUWHMAIGAGQJU-OAHLLOKOSA-N -1 3 394.479 3.707 20 0 GHADHM CC(C)(C)c1csc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC001573884042 950782775 /nfs/dbraw/zinc/78/27/75/950782775.db2.gz DSMWSSXQTHVPKS-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1csc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC001573884042 950782798 /nfs/dbraw/zinc/78/27/98/950782798.db2.gz DSMWSSXQTHVPKS-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N2CCc3c(O)cccc3C2)c1-c1nnn[n-]1 ZINC001573884093 950784093 /nfs/dbraw/zinc/78/40/93/950784093.db2.gz HVIYALIVWMABBA-UHFFFAOYSA-N -1 3 398.492 3.522 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N2CCc3c(O)cccc3C2)c1-c1nn[n-]n1 ZINC001573884093 950784104 /nfs/dbraw/zinc/78/41/04/950784104.db2.gz HVIYALIVWMABBA-UHFFFAOYSA-N -1 3 398.492 3.522 20 0 GHADHM CC(C)CC[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001574184484 950785783 /nfs/dbraw/zinc/78/57/83/950785783.db2.gz LXGGILGVIHLGLB-ZDUSSCGKSA-N -1 3 398.433 3.861 20 0 GHADHM C[C@@H](Cc1ccc(Br)c(F)c1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575191451 952467331 /nfs/dbraw/zinc/46/73/31/952467331.db2.gz WVFKGYQSXSVFEC-VIFPVBQESA-N -1 3 394.223 3.951 20 0 GHADHM C[C@@H](Cc1ccc(Br)c(F)c1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575191451 952467334 /nfs/dbraw/zinc/46/73/34/952467334.db2.gz WVFKGYQSXSVFEC-VIFPVBQESA-N -1 3 394.223 3.951 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589279922 953484262 /nfs/dbraw/zinc/48/42/62/953484262.db2.gz QRJLWHUQLWUAPQ-MBOZVWFJSA-N -1 3 380.488 3.647 20 0 GHADHM CN(C)Cc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C(F)(F)F ZINC001604074853 972466114 /nfs/dbraw/zinc/46/61/14/972466114.db2.gz KJEQITOEHIFZCI-SOFGYWHQSA-N -1 3 382.338 3.710 20 0 GHADHM CCN(CCCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccccc1 ZINC001573881751 961283214 /nfs/dbraw/zinc/28/32/14/961283214.db2.gz WVUVKGQLPVKQTP-GOSISDBHSA-N -1 3 385.508 3.587 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)CCC2CCCCCC2)CCCN(Cc2ccccc2)C1 ZINC001344511584 962182646 /nfs/dbraw/zinc/18/26/46/962182646.db2.gz IMCBEUDZAXRLCF-HSZRJFAPSA-N -1 3 386.536 3.973 20 0 GHADHM CC(C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001588913017 962331484 /nfs/dbraw/zinc/33/14/84/962331484.db2.gz YJIVZPBSSQBLNH-OLHLWXQYSA-N -1 3 382.460 3.503 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001591747678 975796350 /nfs/dbraw/zinc/79/63/50/975796350.db2.gz WLWFAUPCFSELSZ-IEBWSBKVSA-N -1 3 397.475 3.739 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001591829545 976092971 /nfs/dbraw/zinc/09/29/71/976092971.db2.gz PMJYUGJKQJTWBV-UHFFFAOYSA-N -1 3 399.944 3.853 20 0 GHADHM CC(C)c1[nH]c(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1C(=O)[O-] ZINC001591913084 976355059 /nfs/dbraw/zinc/35/50/59/976355059.db2.gz WXCLIWVTGKGBFF-GJZGRUSLSA-N -1 3 393.528 3.819 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625911540 1014370072 /nfs/dbraw/zinc/37/00/72/1014370072.db2.gz PLIHGHMEAHNNBL-UHFFFAOYSA-N -1 3 399.454 3.930 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625911540 1014370086 /nfs/dbraw/zinc/37/00/86/1014370086.db2.gz PLIHGHMEAHNNBL-UHFFFAOYSA-N -1 3 399.454 3.930 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(COc2ccccc2)cc1 ZINC001625911910 1014370115 /nfs/dbraw/zinc/37/01/15/1014370115.db2.gz UWUAUDXCAORGSY-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(COc2ccccc2)cc1 ZINC001625911910 1014370128 /nfs/dbraw/zinc/37/01/28/1014370128.db2.gz UWUAUDXCAORGSY-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM C[C@@](CCF)(NCc1csc(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC001592507406 978325566 /nfs/dbraw/zinc/32/55/66/978325566.db2.gz RRYOKLYTCNHLKV-HNNXBMFYSA-N -1 3 387.274 3.865 20 0 GHADHM C[C@@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])N(C)Cc1ccccc1 ZINC001592664464 979065692 /nfs/dbraw/zinc/06/56/92/979065692.db2.gz DCCOULFYBMTPTN-PXNSSMCTSA-N -1 3 397.519 3.658 20 0 GHADHM C[C@@H](CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC001592674777 979087056 /nfs/dbraw/zinc/08/70/56/979087056.db2.gz MBHMEQDBFBJWBU-LBPRGKRZSA-N -1 3 393.846 3.819 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)(NCc1ccncc1Br)C(=O)[O-] ZINC001592841010 979611399 /nfs/dbraw/zinc/61/13/99/979611399.db2.gz WITVVXNKWOCCNU-INIZCTEOSA-N -1 3 383.673 3.673 20 0 GHADHM CC[C@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595243101 980172325 /nfs/dbraw/zinc/17/23/25/980172325.db2.gz VTHKCYYVBFRTMI-RDJZCZTQSA-N -1 3 380.916 3.730 20 0 GHADHM O=C(Nc1ccnn1CCc1ccccc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001626072506 1014853833 /nfs/dbraw/zinc/85/38/33/1014853833.db2.gz DVBPSLVBUNXUKH-UHFFFAOYSA-N -1 3 392.846 3.873 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001595830861 982718952 /nfs/dbraw/zinc/71/89/52/982718952.db2.gz RDQXSGPFNFVEIW-QGZVFWFLSA-N -1 3 392.546 3.952 20 0 GHADHM CCN(C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-])[C@H]1CCN(C)C1 ZINC001596151480 983512780 /nfs/dbraw/zinc/51/27/80/983512780.db2.gz YDQLQKIALWWZRQ-KRWDZBQOSA-N -1 3 397.475 3.522 20 0 GHADHM CCN(CCNCc1ccc(C(=O)[O-])cc1Br)CCC(F)(F)F ZINC001596339769 983784899 /nfs/dbraw/zinc/78/48/99/983784899.db2.gz PKTJEEFEPLBFDZ-UHFFFAOYSA-N -1 3 397.235 3.511 20 0 GHADHM CCN1CCN(c2cccc(NC(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)c2)CC1 ZINC001596442077 984133040 /nfs/dbraw/zinc/13/30/40/984133040.db2.gz MTYTUTUBMMZPAW-INIZCTEOSA-N -1 3 396.491 3.661 20 0 GHADHM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(F)c(Br)c1 ZINC001599901281 984835193 /nfs/dbraw/zinc/83/51/93/984835193.db2.gz GROKUZUNHZUKLN-NSHDSACASA-N -1 3 382.229 3.902 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC34CCC(CC3)C4)cs2)c1 ZINC000544877827 1015140566 /nfs/dbraw/zinc/14/05/66/1015140566.db2.gz SVJBYPOCNRHNQC-UHFFFAOYSA-N -1 3 399.516 3.648 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC001594539903 986172220 /nfs/dbraw/zinc/17/22/20/986172220.db2.gz VMZOGBXYOPZIBZ-KRWDZBQOSA-N -1 3 375.472 3.639 20 0 GHADHM CCOc1cc(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc(Cl)c1[O-] ZINC001597035280 986469807 /nfs/dbraw/zinc/46/98/07/986469807.db2.gz FEEGGFMILFVWOV-CJNGLKHVSA-N -1 3 377.868 3.866 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(Cc3csc(C(=O)[O-])c3)CC2)cc1 ZINC001597073725 986594776 /nfs/dbraw/zinc/59/47/76/986594776.db2.gz ASYJDDNUYIGPOY-LJQANCHMSA-N -1 3 375.490 3.791 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC001589504429 987113645 /nfs/dbraw/zinc/11/36/45/987113645.db2.gz KWYZKDROHJBKBI-AWEZNQCLSA-N -1 3 375.494 3.532 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)N(C)C)cc1 ZINC001597513501 988111892 /nfs/dbraw/zinc/11/18/92/988111892.db2.gz WFRYLTMVGWSFJC-QRWLVFNGSA-N -1 3 383.492 3.862 20 0 GHADHM CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001589815553 988254483 /nfs/dbraw/zinc/25/44/83/988254483.db2.gz PCMWAYXEWCUXSK-HNNXBMFYSA-N -1 3 398.463 3.566 20 0 GHADHM CC(C)(C)OC(=O)C1(C)CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC001589854497 988388396 /nfs/dbraw/zinc/38/83/96/988388396.db2.gz AQTBQYIUFMGBPN-YFHOEESVSA-N -1 3 389.492 3.607 20 0 GHADHM CC(C)(C)OC(=O)C1(C)CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC001589854591 988389220 /nfs/dbraw/zinc/38/92/20/988389220.db2.gz DBNWVYDKEOWYFA-UHFFFAOYSA-N -1 3 384.476 3.877 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001597762635 989197560 /nfs/dbraw/zinc/19/75/60/989197560.db2.gz IFGBWBUWGMOHKM-KGLIPLIRSA-N -1 3 380.485 3.665 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001590124677 989353195 /nfs/dbraw/zinc/35/31/95/989353195.db2.gz PQABRKDFSUJSHM-GOSISDBHSA-N -1 3 388.439 3.880 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000468235585 1015465757 /nfs/dbraw/zinc/46/57/57/1015465757.db2.gz RFKIQKZNAGCPMG-HXUWFJFHSA-N -1 3 390.480 3.889 20 0 GHADHM CCc1oc(CNCCc2cnc(SC3CCCC3)nc2)cc1C(=O)[O-] ZINC001597805324 989412820 /nfs/dbraw/zinc/41/28/20/989412820.db2.gz DXRNQNTWUYPHHJ-UHFFFAOYSA-N -1 3 375.494 3.697 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1ccc(C(=O)[O-])cc1F)C2 ZINC001590216511 989589808 /nfs/dbraw/zinc/58/98/08/989589808.db2.gz VYVFTZHESYHUKS-KKSFZXQISA-N -1 3 392.471 3.651 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001590223502 989591601 /nfs/dbraw/zinc/59/16/01/989591601.db2.gz CEKKAFJDNFKARG-QFIPXVFZSA-N -1 3 399.491 3.586 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1C1CC1 ZINC001590340554 989780570 /nfs/dbraw/zinc/78/05/70/989780570.db2.gz SDFLQHIIVBDTIN-JKSUJKDBSA-N -1 3 379.884 3.838 20 0 GHADHM CN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001598056493 990316356 /nfs/dbraw/zinc/31/63/56/990316356.db2.gz MSULJKXBLPEVGT-QGZVFWFLSA-N -1 3 392.459 3.604 20 0 GHADHM Cc1cnc2c(ccc(Cl)c2C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1 ZINC001154460775 1032119129 /nfs/dbraw/zinc/11/91/29/1032119129.db2.gz QTNNKVYEWBFBJG-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM CC(C)(NCc1ccc(C(=O)[O-])cc1F)[C@H](O)c1ccc(Br)cc1 ZINC001590871303 990776495 /nfs/dbraw/zinc/77/64/95/990776495.db2.gz MLDOWLJOMHVXID-MRXNPFEDSA-N -1 3 396.256 3.888 20 0 GHADHM COc1cccc([C@H](NCc2ccc(N(C)c3ccccc3)nc2)C(=O)[O-])c1 ZINC001599687752 991014388 /nfs/dbraw/zinc/01/43/88/991014388.db2.gz APQKZGVCDNDABD-NRFANRHFSA-N -1 3 377.444 3.774 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc(OC)c1[O-] ZINC000545171293 1015611755 /nfs/dbraw/zinc/61/17/55/1015611755.db2.gz RWIRZWWQYADJDO-KRWDZBQOSA-N -1 3 395.459 3.664 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001590981618 991143031 /nfs/dbraw/zinc/14/30/31/991143031.db2.gz YYSOYXJVDMFSEX-NRFANRHFSA-N -1 3 395.503 3.567 20 0 GHADHM CC(C)[C@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC001591025369 991324527 /nfs/dbraw/zinc/32/45/27/991324527.db2.gz QPRDCIBBZHXGRJ-KRWDZBQOSA-N -1 3 395.381 3.724 20 0 GHADHM CSc1ccccc1NC(=O)CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468403064 1015671815 /nfs/dbraw/zinc/67/18/15/1015671815.db2.gz UUDUUPHHFDTZPL-UHFFFAOYSA-N -1 3 390.480 3.673 20 0 GHADHM CN(Cc1cccc(-n2cccn2)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598524739 992704505 /nfs/dbraw/zinc/70/45/05/992704505.db2.gz SIBJXLFXPGINSM-GOSISDBHSA-N -1 3 375.350 3.547 20 0 GHADHM CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598555774 993054829 /nfs/dbraw/zinc/05/48/29/993054829.db2.gz BNNIMYUYNCXGJJ-IBGZPJMESA-N -1 3 376.412 3.561 20 0 GHADHM CN1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1c1ccccc1 ZINC001598585008 993369287 /nfs/dbraw/zinc/36/92/87/993369287.db2.gz BWKBSPDBEOPWGO-XUVXKRRUSA-N -1 3 395.503 3.583 20 0 GHADHM CN(C)C(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000468611067 1015844121 /nfs/dbraw/zinc/84/41/21/1015844121.db2.gz ULXAYXXKYPQWFX-UHFFFAOYSA-N -1 3 378.831 3.848 20 0 GHADHM COc1cccc(-c2nc(CN[C@@H](C)[C@@H](Cc3ccccc3)C(=O)[O-])co2)c1 ZINC001599638599 994325347 /nfs/dbraw/zinc/32/53/47/994325347.db2.gz BBZDIRWFAWTUCY-MGPUTAFESA-N -1 3 380.444 3.772 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccc(-c3ccccn3)nc2)c1 ZINC001599655084 994566172 /nfs/dbraw/zinc/56/61/72/994566172.db2.gz FOSHVQGNBOJQTI-QFIPXVFZSA-N -1 3 377.444 3.632 20 0 GHADHM C[C@@H](NCCOc1ccc(Br)cc1)c1ccccc1OCC(=O)[O-] ZINC001593272242 994610881 /nfs/dbraw/zinc/61/08/81/994610881.db2.gz QXLJAPYEMOUNPR-CYBMUJFWSA-N -1 3 394.265 3.642 20 0 GHADHM COc1cccc([C@@H](N[C@H](C)c2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC001599659438 994633614 /nfs/dbraw/zinc/63/36/14/994633614.db2.gz YBFXIWTYGKWYOE-QVKFZJNVSA-N -1 3 382.460 3.689 20 0 GHADHM COC(=O)[C@@H](C)[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001598690029 995050370 /nfs/dbraw/zinc/05/03/70/995050370.db2.gz VCYPPJTUKVLDOS-IFXJQAMLSA-N -1 3 378.428 3.573 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001593698619 996165936 /nfs/dbraw/zinc/16/59/36/996165936.db2.gz GBMPRQBVPOMPAJ-ZDUSSCGKSA-N -1 3 387.398 3.728 20 0 GHADHM CC1(C(=O)OCCOc2ccccc2C(=O)[O-])CCN(Cc2ccccc2)CC1 ZINC001593812342 996543214 /nfs/dbraw/zinc/54/32/14/996543214.db2.gz BODBDQBHRNWSSG-UHFFFAOYSA-N -1 3 397.471 3.609 20 0 GHADHM C[C@@H]1CC[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000468805956 1016053044 /nfs/dbraw/zinc/05/30/44/1016053044.db2.gz DFFBPZGHCUVSFL-GHMZBOCLSA-N -1 3 378.416 3.842 20 0 GHADHM CC1(C)SC[C@H]1NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001593988808 997245220 /nfs/dbraw/zinc/24/52/20/997245220.db2.gz YFZWODRCZPDEFI-CYBMUJFWSA-N -1 3 386.304 3.861 20 0 GHADHM COc1ccc([C@H](NCCOc2c(Cl)cccc2Cl)C(=O)[O-])cc1O ZINC001599528101 997599777 /nfs/dbraw/zinc/59/97/77/997599777.db2.gz UJWSTSVEIKWRTL-HNNXBMFYSA-N -1 3 386.231 3.502 20 0 GHADHM COC(=O)c1cc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc(C(=O)[O-])c1 ZINC001598932209 997784029 /nfs/dbraw/zinc/78/40/29/997784029.db2.gz NCIIEAXHHICYMT-AWEZNQCLSA-N -1 3 393.443 3.516 20 0 GHADHM C[C@]1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC001594057507 997812411 /nfs/dbraw/zinc/81/24/11/997812411.db2.gz KSVYAWGDOVVZQA-MZKRTTBSSA-N -1 3 393.487 3.661 20 0 GHADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCc1c(F)c(F)c(Br)c(F)c1F ZINC001594185793 998719894 /nfs/dbraw/zinc/71/98/94/998719894.db2.gz RTZZHPHJBBSOAN-ZXFLCMHBSA-N -1 3 398.194 3.985 20 0 GHADHM COC(=O)c1cccc([C@H](NCc2ccc(C(F)(F)F)cc2C)C(=O)[O-])c1 ZINC001598993994 998762429 /nfs/dbraw/zinc/76/24/29/998762429.db2.gz CWOHFAFXTHQGIZ-INIZCTEOSA-N -1 3 381.350 3.716 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(F)(F)F ZINC000468992145 1016314179 /nfs/dbraw/zinc/31/41/79/1016314179.db2.gz QVZQHJMRVVOPLJ-JTQLQIEISA-N -1 3 381.750 3.807 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469106602 1016492231 /nfs/dbraw/zinc/49/22/31/1016492231.db2.gz ZOZNXZQFSFLCJP-SECBINFHSA-N -1 3 383.673 3.816 20 0 GHADHM C[C@H](CCC1CC1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000470576218 1016824797 /nfs/dbraw/zinc/82/47/97/1016824797.db2.gz FVWWWEWFPCZIPC-CQSZACIVSA-N -1 3 390.480 3.935 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)c([O-])c1 ZINC001154509082 1032153228 /nfs/dbraw/zinc/15/32/28/1032153228.db2.gz PRNBJUKYJNRHEN-SFHVURJKSA-N -1 3 394.515 3.837 20 0 GHADHM COC(=O)[C@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001277162575 1032172546 /nfs/dbraw/zinc/17/25/46/1032172546.db2.gz FTFFAVNULJVUMJ-LBPRGKRZSA-N -1 3 392.240 3.635 20 0 GHADHM O=C(Nc1ncc(Br)[n-]c1=O)c1cc2oc(-c3ccccc3)cc2[nH]1 ZINC001154684077 1032235234 /nfs/dbraw/zinc/23/52/34/1032235234.db2.gz WGNBZHSNCHXIRP-UHFFFAOYSA-N -1 3 399.204 3.526 20 0 GHADHM O=S1(=O)CCC(Oc2nc(=S)[n-]c3scc(-c4ccccc4)c32)CC1 ZINC001227101790 1032271936 /nfs/dbraw/zinc/27/19/36/1032271936.db2.gz SMIZVIWEBAAGFT-UHFFFAOYSA-N -1 3 392.527 3.603 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@H]1C ZINC001154794870 1032287280 /nfs/dbraw/zinc/28/72/80/1032287280.db2.gz YHHQJGZZHUGIBU-LSDHHAIUSA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H](Oc1cccc([O-])c1I)c1cnc2ccccn21 ZINC001227376683 1032395087 /nfs/dbraw/zinc/39/50/87/1032395087.db2.gz VWYKJNNRCLHHEE-SNVBAGLBSA-N -1 3 380.185 3.785 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2cc(C(=O)Nc3cncc([O-])c3)cnc2c1 ZINC001155087407 1032407507 /nfs/dbraw/zinc/40/75/07/1032407507.db2.gz GTDHPGNWCZRQOV-UHFFFAOYSA-N -1 3 380.404 3.935 20 0 GHADHM O=C(NCc1nc(-c2cccs2)c[nH]1)c1cc([O-])cc(Br)c1 ZINC001155152842 1032436949 /nfs/dbraw/zinc/43/69/49/1032436949.db2.gz NGZUMANGNCMJKG-UHFFFAOYSA-N -1 3 378.251 3.536 20 0 GHADHM O=C(Cc1nc(NC(=O)c2ccc(Cl)c3cnccc23)n[n-]1)c1ccccc1 ZINC001155192041 1032452101 /nfs/dbraw/zinc/45/21/01/1032452101.db2.gz VKFFWDPLJKHELE-UHFFFAOYSA-N -1 3 391.818 3.684 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1nc2ccccc2c(C)c1C ZINC001155205089 1032456562 /nfs/dbraw/zinc/45/65/62/1032456562.db2.gz VBOHLLBNUWZJCV-UHFFFAOYSA-N -1 3 390.399 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CC1 ZINC001227586366 1032473698 /nfs/dbraw/zinc/47/36/98/1032473698.db2.gz KFNZHVGCRZDGBA-VXGBXAGGSA-N -1 3 394.365 3.922 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c([O-])c1 ZINC001155252021 1032471896 /nfs/dbraw/zinc/47/18/96/1032471896.db2.gz VXBOJFMUGYNWAJ-UHFFFAOYSA-N -1 3 376.884 3.845 20 0 GHADHM CCOC(=O)[C@@H]1C[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)c2ccccc2O1 ZINC001227582621 1032471997 /nfs/dbraw/zinc/47/19/97/1032471997.db2.gz BWFWYVYCPJIHHF-KGLIPLIRSA-N -1 3 383.322 3.640 20 0 GHADHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCc2c(oc3ccccc32)C1 ZINC001155510899 1032566658 /nfs/dbraw/zinc/56/66/58/1032566658.db2.gz DRDVQATWNMJLCQ-UHFFFAOYSA-N -1 3 382.807 3.707 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCc2cc(F)ccc21 ZINC001155704341 1032648905 /nfs/dbraw/zinc/64/89/05/1032648905.db2.gz HZIYENNDNODJDN-UHFFFAOYSA-N -1 3 392.308 3.769 20 0 GHADHM S=c1nc2cnccc2c(O[C@H]2CCCN(Cc3cnc(Cl)s3)C2)[n-]1 ZINC001227886380 1032669761 /nfs/dbraw/zinc/66/97/61/1032669761.db2.gz UCXKXVSMCIYVMJ-JTQLQIEISA-N -1 3 393.925 3.841 20 0 GHADHM COc1ccc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000777626154 1017418066 /nfs/dbraw/zinc/41/80/66/1017418066.db2.gz QBQGGTFHKABMKZ-MAUKXSAKSA-N -1 3 390.505 3.647 20 0 GHADHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000559871086 1017509614 /nfs/dbraw/zinc/50/96/14/1017509614.db2.gz RAGKMSNBVJFCNM-UHFFFAOYSA-N -1 3 377.868 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)Nc2cccc([O-])c2F)CC1 ZINC000935135079 1018964207 /nfs/dbraw/zinc/96/42/07/1018964207.db2.gz PYOKNASUFLWOEN-UHFFFAOYSA-N -1 3 388.386 3.752 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001155950640 1032809109 /nfs/dbraw/zinc/80/91/09/1032809109.db2.gz MDBOHCLEZUJHGF-XJKSGUPXSA-N -1 3 383.753 3.936 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccnc1C(F)(F)F ZINC000567936034 1019359782 /nfs/dbraw/zinc/35/97/82/1019359782.db2.gz BVCYSFDLHMZZGB-NWDGAFQWSA-N -1 3 376.787 3.588 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)c1[O-] ZINC000568636809 1019430928 /nfs/dbraw/zinc/43/09/28/1019430928.db2.gz LQOLAQLABICTRS-FQEVSTJZSA-N -1 3 394.471 3.533 20 0 GHADHM O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000570430670 1019605395 /nfs/dbraw/zinc/60/53/95/1019605395.db2.gz BWAFKOCDDYAPME-UHFFFAOYSA-N -1 3 395.846 3.613 20 0 GHADHM Cc1cnn([C@@H]2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)c1 ZINC000576996137 1020099319 /nfs/dbraw/zinc/09/93/19/1020099319.db2.gz KZTJQGHCQCHZFI-HXUWFJFHSA-N -1 3 375.472 3.770 20 0 GHADHM COC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1C ZINC001156222905 1032930926 /nfs/dbraw/zinc/93/09/26/1032930926.db2.gz NAEZFYWSBFCDFU-UHFFFAOYSA-N -1 3 379.210 3.894 20 0 GHADHM O=C([N-]N1CCCNC1=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000795245216 1020999962 /nfs/dbraw/zinc/99/99/62/1020999962.db2.gz YQPFQIYFVHQCET-UHFFFAOYSA-N -1 3 394.258 3.633 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](CCc2ccccc2)c2ccccn2)c(=O)[n-]1 ZINC000637738664 1021029853 /nfs/dbraw/zinc/02/98/53/1021029853.db2.gz AIUSAPRLDRSKCB-NRFANRHFSA-N -1 3 390.487 3.617 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC001156267303 1032949987 /nfs/dbraw/zinc/94/99/87/1032949987.db2.gz VFIPCBSLDSRKGY-OAHLLOKOSA-N -1 3 378.517 3.684 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC001156267303 1032949990 /nfs/dbraw/zinc/94/99/90/1032949990.db2.gz VFIPCBSLDSRKGY-OAHLLOKOSA-N -1 3 378.517 3.684 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)Cc2ccncc2[O-])CC1 ZINC001140282385 1021311243 /nfs/dbraw/zinc/31/12/43/1021311243.db2.gz WMQYCZBVBOLOAI-UHFFFAOYSA-N -1 3 398.507 3.584 20 0 GHADHM CO[C@@H](C)c1nsc([N-]C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000800990005 1021353774 /nfs/dbraw/zinc/35/37/74/1021353774.db2.gz MYUVKGXNABMMJK-JTQLQIEISA-N -1 3 377.857 3.645 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000834716934 1021401294 /nfs/dbraw/zinc/40/12/94/1021401294.db2.gz ZPHSDKAZADBWME-CYBMUJFWSA-N -1 3 386.473 3.904 20 0 GHADHM CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140496648 1021866444 /nfs/dbraw/zinc/86/64/44/1021866444.db2.gz LIPCBIMJBWBCEI-OAHLLOKOSA-N -1 3 379.501 3.551 20 0 GHADHM Cc1cc(Br)ccc1N1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC001140504259 1021885823 /nfs/dbraw/zinc/88/58/23/1021885823.db2.gz LEYNTDXBTRRRTC-UHFFFAOYSA-N -1 3 389.293 3.778 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC[C@H]1CN([C@H](C)c2ccccc2)C(=O)O1 ZINC001228623676 1033013962 /nfs/dbraw/zinc/01/39/62/1033013962.db2.gz UICVHCONRKQGDR-GDBMZVCRSA-N -1 3 395.411 3.768 20 0 GHADHM [O-]c1cccc(CN2CCc3c(cnn3-c3ccccc3)C2)c1Br ZINC001140550155 1021951868 /nfs/dbraw/zinc/95/18/68/1021951868.db2.gz GMCPSMKMNIVJIQ-UHFFFAOYSA-N -1 3 384.277 3.899 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCCN1C(=O)OC(C)(C)C ZINC001140552221 1021955115 /nfs/dbraw/zinc/95/51/15/1021955115.db2.gz BOHRKFYOAOILLE-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM [O-]c1cccc(CN2CCc3nn(-c4ccccc4)cc3C2)c1Br ZINC001140552621 1021955822 /nfs/dbraw/zinc/95/58/22/1021955822.db2.gz JRRRTFYIXXRZSF-UHFFFAOYSA-N -1 3 384.277 3.899 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001228629667 1033019695 /nfs/dbraw/zinc/01/96/95/1033019695.db2.gz NEGJGVVPTAWOBB-CYBMUJFWSA-N -1 3 375.421 3.585 20 0 GHADHM O=c1nc(CN2CCC[C@H](OC(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000679681044 1022031889 /nfs/dbraw/zinc/03/18/89/1022031889.db2.gz MEALFYGSCFUWSA-JTQLQIEISA-N -1 3 381.404 3.861 20 0 GHADHM CC(C)Oc1ccc(COc2nnc(-c3cccnc3)[n-]2)cc1Br ZINC001228697807 1033053067 /nfs/dbraw/zinc/05/30/67/1033053067.db2.gz MDNCWTNBBXSEIF-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM CC(C)Oc1ccc(COc2nc(-c3cccnc3)n[n-]2)cc1Br ZINC001228697807 1033053075 /nfs/dbraw/zinc/05/30/75/1033053075.db2.gz MDNCWTNBBXSEIF-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM CC(C)Oc1ccc(COc2n[n-]c(-c3cccnc3)n2)cc1Br ZINC001228697807 1033053083 /nfs/dbraw/zinc/05/30/83/1033053083.db2.gz MDNCWTNBBXSEIF-UHFFFAOYSA-N -1 3 389.253 3.995 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc(OC)c1[O-] ZINC000754277343 1022578166 /nfs/dbraw/zinc/57/81/66/1022578166.db2.gz SLTGJSJSZICZDC-LBPRGKRZSA-N -1 3 384.388 3.686 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc(OC)c1[O-] ZINC000754276342 1022578677 /nfs/dbraw/zinc/57/86/77/1022578677.db2.gz NIYJNEAADYBJGV-CYBMUJFWSA-N -1 3 387.432 3.717 20 0 GHADHM CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Br)ccc1[O-])CC1CC1 ZINC000754439972 1022708381 /nfs/dbraw/zinc/70/83/81/1022708381.db2.gz KGWFPXBXVWOXBT-UHFFFAOYSA-N -1 3 399.285 3.740 20 0 GHADHM O=C(c1cccs1)N1CCC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140889538 1022807921 /nfs/dbraw/zinc/80/79/21/1022807921.db2.gz VBKWVQSMKXZOSU-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@@H]1CCCCO1 ZINC000754796748 1022901832 /nfs/dbraw/zinc/90/18/32/1022901832.db2.gz DQECCTRSARSOJG-LEWJYISDSA-N -1 3 397.471 3.756 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000836405449 1022948299 /nfs/dbraw/zinc/94/82/99/1022948299.db2.gz AMLFGUPIYCCAHU-UHFFFAOYSA-N -1 3 399.419 3.568 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000836405449 1022948301 /nfs/dbraw/zinc/94/83/01/1022948301.db2.gz AMLFGUPIYCCAHU-UHFFFAOYSA-N -1 3 399.419 3.568 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc4c(c3)COC4)nc(=O)c2c1C ZINC000755127441 1023085008 /nfs/dbraw/zinc/08/50/08/1023085008.db2.gz WNQPPNAXTNUDCV-NSHDSACASA-N -1 3 384.457 3.891 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000755180987 1023112295 /nfs/dbraw/zinc/11/22/95/1023112295.db2.gz TWHOPFJDGACPNX-XLFHBGCDSA-N -1 3 397.258 3.509 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)ccc1OC(F)(F)F ZINC000836699625 1023270763 /nfs/dbraw/zinc/27/07/63/1023270763.db2.gz ZJSNGIRXWLFCMB-UHFFFAOYSA-N -1 3 384.738 3.633 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000836699625 1023270773 /nfs/dbraw/zinc/27/07/73/1023270773.db2.gz ZJSNGIRXWLFCMB-UHFFFAOYSA-N -1 3 384.738 3.633 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2C1 ZINC000836732713 1023321826 /nfs/dbraw/zinc/32/18/26/1023321826.db2.gz UVCAJYCAVYWTKC-INIZCTEOSA-N -1 3 377.441 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2C1 ZINC000836732713 1023321836 /nfs/dbraw/zinc/32/18/36/1023321836.db2.gz UVCAJYCAVYWTKC-INIZCTEOSA-N -1 3 377.441 3.517 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNCCc1cccc(C(=O)[O-])c1 ZINC000756299058 1023582974 /nfs/dbraw/zinc/58/29/74/1023582974.db2.gz OPQDPGDKQVAXAN-UHFFFAOYSA-N -1 3 383.879 3.924 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000756348416 1023600459 /nfs/dbraw/zinc/60/04/59/1023600459.db2.gz KLBYYORAXPVSPJ-KRWDZBQOSA-N -1 3 375.350 3.807 20 0 GHADHM CCOc1c(Cl)cc(C[N-]C(=O)C(F)(F)c2nccs2)cc1OC ZINC000756441637 1023653175 /nfs/dbraw/zinc/65/31/75/1023653175.db2.gz BBDHJEPJFJVKIH-UHFFFAOYSA-N -1 3 376.812 3.612 20 0 GHADHM O=C([N-][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C(F)(F)c1nccs1 ZINC000756492399 1023683955 /nfs/dbraw/zinc/68/39/55/1023683955.db2.gz DGIRPUAUGDCIFY-NSHDSACASA-N -1 3 391.365 3.649 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(-n2cncn2)cc1 ZINC000756871957 1023843364 /nfs/dbraw/zinc/84/33/64/1023843364.db2.gz VVPRARBUSZWYNC-LLVKDONJSA-N -1 3 378.329 3.515 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000756929332 1023871932 /nfs/dbraw/zinc/87/19/32/1023871932.db2.gz BTQSEFXHJRZVDM-SNVBAGLBSA-N -1 3 380.341 3.819 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000830690340 1024078788 /nfs/dbraw/zinc/07/87/88/1024078788.db2.gz HYLLBDAZNHUBGQ-AWEZNQCLSA-N -1 3 392.521 3.728 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000837238331 1024270723 /nfs/dbraw/zinc/27/07/23/1024270723.db2.gz WTRORKOWKHPJRX-GDBMZVCRSA-N -1 3 376.497 3.578 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC1CC(F)(F)C1 ZINC000837432325 1024453173 /nfs/dbraw/zinc/45/31/73/1024453173.db2.gz XNYSNXAOXIQSIS-SFHVURJKSA-N -1 3 389.398 3.842 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1(c2ccccc2Cl)CCOCC1 ZINC000837510547 1024517651 /nfs/dbraw/zinc/51/76/51/1024517651.db2.gz LCGDDIJYPNHVJZ-UHFFFAOYSA-N -1 3 388.851 3.505 20 0 GHADHM Cc1cc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1Br ZINC000837720185 1024662089 /nfs/dbraw/zinc/66/20/89/1024662089.db2.gz JMVDCGGQSSVCGU-UHFFFAOYSA-N -1 3 378.270 3.615 20 0 GHADHM COCCCCN1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001141363908 1024727109 /nfs/dbraw/zinc/72/71/09/1024727109.db2.gz OKVRAPOWFNVBJW-UHFFFAOYSA-N -1 3 382.504 3.596 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1(Cl)Cl ZINC000832147368 1025259387 /nfs/dbraw/zinc/25/93/87/1025259387.db2.gz FZJIWRZIOHAIET-JTQLQIEISA-N -1 3 380.190 3.707 20 0 GHADHM O=C([N-]c1cscc1Br)c1coc(Sc2ncccn2)n1 ZINC001141498056 1025264529 /nfs/dbraw/zinc/26/45/29/1025264529.db2.gz JVDAXYQWCHBNOB-UHFFFAOYSA-N -1 3 383.252 3.692 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1)C(F)(F)F ZINC000832214411 1025338427 /nfs/dbraw/zinc/33/84/27/1025338427.db2.gz FNUOSFQAHSJCSF-KBAYOESNSA-N -1 3 396.453 3.878 20 0 GHADHM Cc1ccc2cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c(Cl)nc2c1 ZINC001138862453 1025484221 /nfs/dbraw/zinc/48/42/21/1025484221.db2.gz FQPBWYROCKTCCU-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM COCc1nccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC001161924017 1025497301 /nfs/dbraw/zinc/49/73/01/1025497301.db2.gz MADCWWDOLGYVGI-UHFFFAOYSA-N -1 3 385.445 3.525 20 0 GHADHM COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001162218781 1025673822 /nfs/dbraw/zinc/67/38/22/1025673822.db2.gz XOKRUBULLKDTBD-QGZVFWFLSA-N -1 3 375.465 3.617 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)C1CCCCCCC1)C(F)(F)F ZINC001461025393 1069343700 /nfs/dbraw/zinc/34/37/00/1069343700.db2.gz IQABUDFPNWGPRK-MRXNPFEDSA-N -1 3 382.426 3.983 20 0 GHADHM Cc1c(Br)ccc(F)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885272 1025954228 /nfs/dbraw/zinc/95/42/28/1025954228.db2.gz KEEGQOLTUJUILG-UHFFFAOYSA-N -1 3 398.232 3.827 20 0 GHADHM Cc1c(Br)ccc(F)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885272 1025954231 /nfs/dbraw/zinc/95/42/31/1025954231.db2.gz KEEGQOLTUJUILG-UHFFFAOYSA-N -1 3 398.232 3.827 20 0 GHADHM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141635098 1025976868 /nfs/dbraw/zinc/97/68/68/1025976868.db2.gz CCUGAWMSRKTBHW-QWHCGFSZSA-N -1 3 388.917 3.541 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1 ZINC001139431586 1026302032 /nfs/dbraw/zinc/30/20/32/1026302032.db2.gz POCDMHADYLJYPX-MRXNPFEDSA-N -1 3 394.537 3.927 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001164383349 1026502281 /nfs/dbraw/zinc/50/22/81/1026502281.db2.gz UDUAPMLJPFEJRA-GFCCVEGCSA-N -1 3 378.354 3.817 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc2c(c1)Cc1ccc(Br)cc1C2 ZINC001164382859 1026502571 /nfs/dbraw/zinc/50/25/71/1026502571.db2.gz QUVDMGILSKBBBU-OAHLLOKOSA-N -1 3 398.304 3.868 20 0 GHADHM Cc1nnsc1[C@@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001166558088 1027026994 /nfs/dbraw/zinc/02/69/94/1027026994.db2.gz YDSOEFHYOCUMGK-LLVKDONJSA-N -1 3 384.490 3.593 20 0 GHADHM COc1nsc(OC)c1C(=O)[N-]c1ncc(Cc2c(F)cccc2F)s1 ZINC001166898830 1027142644 /nfs/dbraw/zinc/14/26/44/1027142644.db2.gz USUMIBYCCVFFFD-UHFFFAOYSA-N -1 3 397.428 3.738 20 0 GHADHM CCOc1ccc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(Cl)c1 ZINC001209893032 1027265421 /nfs/dbraw/zinc/26/54/21/1027265421.db2.gz IJMNTYBMKNFOOM-UHFFFAOYSA-N -1 3 381.860 3.920 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)Oc1ccc(F)cc1 ZINC001210180329 1027375248 /nfs/dbraw/zinc/37/52/48/1027375248.db2.gz LGMIIDQYCQDXET-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141843763 1027414864 /nfs/dbraw/zinc/41/48/64/1027414864.db2.gz VLALFLJWPYSXJD-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141843763 1027414871 /nfs/dbraw/zinc/41/48/71/1027414871.db2.gz VLALFLJWPYSXJD-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM CCc1ccc(C(C)(C)[N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)cc1 ZINC001210510689 1027539664 /nfs/dbraw/zinc/53/96/64/1027539664.db2.gz NSXHTLMHFFJLIN-UHFFFAOYSA-N -1 3 397.443 3.527 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@H]3CCC(F)(F)C3)n2)cc1 ZINC001210902809 1027700442 /nfs/dbraw/zinc/70/04/42/1027700442.db2.gz MVIWSRXBNTUWOS-JSGCOSHPSA-N -1 3 399.463 3.715 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1C(=O)c1cccs1 ZINC001142019937 1027894419 /nfs/dbraw/zinc/89/44/19/1027894419.db2.gz SGGSNBKYMJRVMU-UHFFFAOYSA-N -1 3 393.403 3.551 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1C(=O)c1cccs1 ZINC001142019937 1027894443 /nfs/dbraw/zinc/89/44/43/1027894443.db2.gz SGGSNBKYMJRVMU-UHFFFAOYSA-N -1 3 393.403 3.551 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(F)(F)F)c2)cc1 ZINC000840917035 1027955688 /nfs/dbraw/zinc/95/56/88/1027955688.db2.gz NELMJXNOQYKSCN-UHFFFAOYSA-N -1 3 388.411 3.719 20 0 GHADHM CCOc1cc(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000840994098 1028026768 /nfs/dbraw/zinc/02/67/68/1028026768.db2.gz PSZFOCOVMGZCCT-CABZTGNLSA-N -1 3 382.258 3.664 20 0 GHADHM CCOc1cc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000840994100 1028027379 /nfs/dbraw/zinc/02/73/79/1028027379.db2.gz PSZFOCOVMGZCCT-SKDRFNHKSA-N -1 3 382.258 3.664 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCCC1 ZINC001213229170 1028056962 /nfs/dbraw/zinc/05/69/62/1028056962.db2.gz XKGYUZYHDWSYSP-ZDUSSCGKSA-N -1 3 396.734 3.586 20 0 GHADHM COc1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c(C(F)(F)F)c1 ZINC001213258707 1028074283 /nfs/dbraw/zinc/07/42/83/1028074283.db2.gz CYJWUPPXRUHMPF-UHFFFAOYSA-N -1 3 378.310 3.804 20 0 GHADHM [O-]c1c(F)cc(Nc2cncnc2[C@H]2CN(Cc3ccccc3)CCO2)cc1F ZINC001213371063 1028143861 /nfs/dbraw/zinc/14/38/61/1028143861.db2.gz VJICJDWNVRITFV-LJQANCHMSA-N -1 3 398.413 3.778 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)OCCc2ccccc21 ZINC001213530282 1028243171 /nfs/dbraw/zinc/24/31/71/1028243171.db2.gz KUAMRGNRBBMYPU-KRWDZBQOSA-N -1 3 386.300 3.760 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(N2CCCC2)cc1F ZINC001213855999 1028413122 /nfs/dbraw/zinc/41/31/22/1028413122.db2.gz XMKABUPJNCUKBF-UHFFFAOYSA-N -1 3 388.468 3.787 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cnccc3C3CC3)c2)ccc1O ZINC001213876550 1028424774 /nfs/dbraw/zinc/42/47/74/1028424774.db2.gz GBMPEWGNSUTTJV-UHFFFAOYSA-N -1 3 397.456 3.529 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)c(F)c3)no2)[n-]1 ZINC001213975190 1028484785 /nfs/dbraw/zinc/48/47/85/1028484785.db2.gz WVZURKZDOSNCTQ-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)cc(OC(F)(F)F)c3)no2)[n-]1 ZINC001213976973 1028485064 /nfs/dbraw/zinc/48/50/64/1028485064.db2.gz FNDMXJNIKCVEBV-UHFFFAOYSA-N -1 3 385.273 3.946 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(OC(F)(F)F)c2)ccc1N ZINC001214525701 1028777911 /nfs/dbraw/zinc/77/79/11/1028777911.db2.gz HHUFDWKDKPUFJC-UHFFFAOYSA-N -1 3 380.775 3.930 20 0 GHADHM CN1C(=O)CCc2cc(CN[C@@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)ccc21 ZINC000841795301 1028940719 /nfs/dbraw/zinc/94/07/19/1028940719.db2.gz ICQZMCATFKMILS-GOSISDBHSA-N -1 3 392.377 3.530 20 0 GHADHM Cc1ccc(-c2cc(C(=O)[N-]c3cc(N4CCOC4=O)ccc3F)on2)cc1 ZINC000056211211 1028948890 /nfs/dbraw/zinc/94/88/90/1028948890.db2.gz CMTVKMODUJYZJX-UHFFFAOYSA-N -1 3 381.363 3.998 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1c(F)c(F)ccc1OC(C)C)OCC ZINC001215074227 1029025921 /nfs/dbraw/zinc/02/59/21/1029025921.db2.gz UQKDHIYCTCPPST-UHFFFAOYSA-N -1 3 397.422 3.933 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cccc(-c3nc(-c4cccnc4)no3)c2)no1 ZINC001215301999 1029139928 /nfs/dbraw/zinc/13/99/28/1029139928.db2.gz NKNQEAZQQPEUHF-UHFFFAOYSA-N -1 3 399.366 3.927 20 0 GHADHM COCOc1ccc(Br)cc1-c1noc(-c2c([O-])cccc2O)n1 ZINC001215302377 1029141238 /nfs/dbraw/zinc/14/12/38/1029141238.db2.gz ZHLGUUBLJKGRFV-UHFFFAOYSA-N -1 3 393.193 3.560 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001142653036 1029212464 /nfs/dbraw/zinc/21/24/64/1029212464.db2.gz FPKCZOCKTQUGJM-DYESRHJHSA-N -1 3 393.911 3.693 20 0 GHADHM Clc1ccnc2ccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)cc12 ZINC001216120882 1029531995 /nfs/dbraw/zinc/53/19/95/1029531995.db2.gz FFNROHXXAHSEGH-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2ccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)cc12 ZINC001216120882 1029532003 /nfs/dbraw/zinc/53/20/03/1029532003.db2.gz FFNROHXXAHSEGH-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM c1cnc(OC2CCCCC2)c(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC001216122129 1029533314 /nfs/dbraw/zinc/53/33/14/1029533314.db2.gz ZOFOZKGSNGCILF-UHFFFAOYSA-N -1 3 389.419 3.690 20 0 GHADHM c1cnc(OC2CCCCC2)c(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC001216122129 1029533320 /nfs/dbraw/zinc/53/33/20/1029533320.db2.gz ZOFOZKGSNGCILF-UHFFFAOYSA-N -1 3 389.419 3.690 20 0 GHADHM Cc1cc([O-])c(-c2nc(-c3cccc(I)c3)no2)c(O)c1 ZINC001216267561 1029589166 /nfs/dbraw/zinc/58/91/66/1029589166.db2.gz NCSIQITUFUDBKU-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM Cc1cccnc1N(c1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(N)cc1 ZINC001216401756 1029628703 /nfs/dbraw/zinc/62/87/03/1029628703.db2.gz MLJXFNVBPWWOAH-UHFFFAOYSA-N -1 3 389.864 3.858 20 0 GHADHM CCOc1ccc(-c2noc(-c3c([O-])cc(O)cc3O)n2)cc1Br ZINC001216728858 1029907100 /nfs/dbraw/zinc/90/71/00/1029907100.db2.gz QJFNVMMWQWLEEM-UHFFFAOYSA-N -1 3 393.193 3.682 20 0 GHADHM COc1c(Br)cc(F)cc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216737234 1029912589 /nfs/dbraw/zinc/91/25/89/1029912589.db2.gz URDUAJKNQGTTCT-UHFFFAOYSA-N -1 3 381.157 3.725 20 0 GHADHM COc1cc(Cl)ccc1-c1noc(-c2cccc(C(=O)[N-]C(C)=O)c2C)n1 ZINC001216962689 1030035577 /nfs/dbraw/zinc/03/55/77/1030035577.db2.gz YSYOUKRJPAHXNU-UHFFFAOYSA-N -1 3 385.807 3.650 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc(-c4cnco4)cc3)no2)c1C ZINC001216962523 1030036187 /nfs/dbraw/zinc/03/61/87/1030036187.db2.gz VBIGWSUZCOLRDO-UHFFFAOYSA-N -1 3 388.383 3.643 20 0 GHADHM CCOC(=O)CCN(Cc1ccccc1)C(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149199969 1030088190 /nfs/dbraw/zinc/08/81/90/1030088190.db2.gz ZVAZSWJPBHEVTG-UHFFFAOYSA-N -1 3 392.455 3.844 20 0 GHADHM COc1ccc(Cl)c(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1 ZINC001217018136 1030095803 /nfs/dbraw/zinc/09/58/03/1030095803.db2.gz LHYVSFQUOFAGGU-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM COc1ccc(-c2noc(-c3ccc([O-])cc3OC)n2)c(Br)c1 ZINC001217085262 1030150712 /nfs/dbraw/zinc/15/07/12/1030150712.db2.gz MCKDDWNUYKLANH-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1cccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)c1Br ZINC001217354266 1030329961 /nfs/dbraw/zinc/32/99/61/1030329961.db2.gz BTMBEGHBAAVGFF-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cc(F)cc(C(F)(F)F)c3)no2)C1=O ZINC001217354243 1030330180 /nfs/dbraw/zinc/33/01/80/1030330180.db2.gz ALGNHWJCFQUMMT-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)C1=O ZINC001217354833 1030331250 /nfs/dbraw/zinc/33/12/50/1030331250.db2.gz LCBHYOJLMNFNLK-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001150179064 1030438347 /nfs/dbraw/zinc/43/83/47/1030438347.db2.gz QYZDDBVABLEZCV-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001150179064 1030438357 /nfs/dbraw/zinc/43/83/57/1030438357.db2.gz QYZDDBVABLEZCV-INIZCTEOSA-N -1 3 399.454 3.864 20 0 GHADHM COc1ccc(-c2noc(-c3c([O-])cnc4ccc(OC)cc43)n2)c(OC)c1 ZINC001217500286 1030443965 /nfs/dbraw/zinc/44/39/65/1030443965.db2.gz XXMVXKIVOOMXBU-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(C)=Cc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC001150416049 1030523745 /nfs/dbraw/zinc/52/37/45/1030523745.db2.gz KMPDHRFCDWDKKD-CSKARUKUSA-N -1 3 383.326 3.527 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(C)=Cc2ccc(OC(F)(F)F)cc2)c[n-]1 ZINC001150416049 1030523752 /nfs/dbraw/zinc/52/37/52/1030523752.db2.gz KMPDHRFCDWDKKD-CSKARUKUSA-N -1 3 383.326 3.527 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001150463974 1030534213 /nfs/dbraw/zinc/53/42/13/1030534213.db2.gz BVHVRMZYANDMDP-MLGOLLRUSA-N -1 3 392.377 3.521 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(OC)c(Cl)c2)no1 ZINC001217637514 1030560835 /nfs/dbraw/zinc/56/08/35/1030560835.db2.gz QYHVOFQSHLWCKX-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)c1cc([O-])ccc1Cl ZINC001150796138 1030661543 /nfs/dbraw/zinc/66/15/43/1030661543.db2.gz QAJMRADKOQHDIF-APHBMKBZSA-N -1 3 378.653 3.876 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2c1cccc2C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001151702202 1030975605 /nfs/dbraw/zinc/97/56/05/1030975605.db2.gz YWGPDXSCXDPJDH-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2c1cccc2C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001151702202 1030975607 /nfs/dbraw/zinc/97/56/07/1030975607.db2.gz YWGPDXSCXDPJDH-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)c([O-])c1 ZINC001153019389 1031432496 /nfs/dbraw/zinc/43/24/96/1031432496.db2.gz FKTBKISTERCAOX-UHFFFAOYSA-N -1 3 385.445 3.592 20 0 GHADHM Cc1cc([O-])c(I)c(O[C@H]2COCc3ccccc32)c1 ZINC001225511868 1031448153 /nfs/dbraw/zinc/44/81/53/1031448153.db2.gz WSDRRQSKTKPUIZ-HNNXBMFYSA-N -1 3 382.197 3.956 20 0 GHADHM O=C(c1c([O-])ccc2ccccc21)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001153506135 1031622138 /nfs/dbraw/zinc/62/21/38/1031622138.db2.gz RGQPOJAKXCLLOK-FUHWJXTLSA-N -1 3 393.512 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)[C@H](F)C1 ZINC001225853900 1031653357 /nfs/dbraw/zinc/65/33/57/1031653357.db2.gz SPGUMGANTFZMTQ-RKDXNWHRSA-N -1 3 397.394 3.510 20 0 GHADHM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908200 1031803658 /nfs/dbraw/zinc/80/36/58/1031803658.db2.gz JMULIVMQXHIQNQ-OAHLLOKOSA-N -1 3 375.211 3.698 20 0 GHADHM CC(C)(C)OC(=O)CC1CCN(C(=O)c2c(O)cc3ccccc3c2[O-])CC1 ZINC001154025784 1031882456 /nfs/dbraw/zinc/88/24/56/1031882456.db2.gz ILGANJFJIFQPMZ-UHFFFAOYSA-N -1 3 385.460 3.835 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(C(=O)c2c(O)cc3ccccc3c2[O-])C1 ZINC001154026345 1031883278 /nfs/dbraw/zinc/88/32/78/1031883278.db2.gz LIHFLNRGLFTMLC-INIZCTEOSA-N -1 3 393.439 3.943 20 0 GHADHM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154028095 1031886218 /nfs/dbraw/zinc/88/62/18/1031886218.db2.gz QFFKNWLWCKBJGC-UHFFFAOYSA-N -1 3 385.441 3.685 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001154103837 1031928401 /nfs/dbraw/zinc/92/84/01/1031928401.db2.gz GYVALNRMGKJLAZ-STQMWFEESA-N -1 3 397.187 3.878 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCC[C@H](Cc4ccccc4)C3)[n-]c2c1 ZINC001154116104 1031935426 /nfs/dbraw/zinc/93/54/26/1031935426.db2.gz XMTOPGGKWVIORV-QGZVFWFLSA-N -1 3 376.456 3.632 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(c3ccc(Br)cc3)C2)c1O ZINC001226483818 1031975483 /nfs/dbraw/zinc/97/54/83/1031975483.db2.gz ZEOGNQBLJKOBDX-CQSZACIVSA-N -1 3 392.249 3.721 20 0 GHADHM CC(=O)c1ccc([O-])c(OCc2cc(Br)cnc2OC(C)C)c1O ZINC001226481764 1031975661 /nfs/dbraw/zinc/97/56/61/1031975661.db2.gz IRWFSQFSCMGEIZ-UHFFFAOYSA-N -1 3 396.237 3.824 20 0 GHADHM O=C(Nc1ncc2ccccc2c1Br)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154206332 1031984927 /nfs/dbraw/zinc/98/49/27/1031984927.db2.gz PEKBCFHQVJYHEU-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2OCCC(C)C)c1 ZINC001154209873 1031985832 /nfs/dbraw/zinc/98/58/32/1031985832.db2.gz CAWDIDKPTATHLK-UHFFFAOYSA-N -1 3 382.460 3.872 20 0 GHADHM CC(C)N(C(=O)c1ccc2[nH][n-]c(=O)c2c1)c1cc(Br)ccc1N ZINC001154209781 1031985862 /nfs/dbraw/zinc/98/58/62/1031985862.db2.gz SRBNRSYGFJSTNG-UHFFFAOYSA-N -1 3 389.253 3.668 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)[N-]Oc2ccccc2F)cc1OCC ZINC001154215828 1031988578 /nfs/dbraw/zinc/98/85/78/1031988578.db2.gz OSXYWAJUMAJZNL-UHFFFAOYSA-N -1 3 375.396 3.696 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)cc12 ZINC001226532884 1031998552 /nfs/dbraw/zinc/99/85/52/1031998552.db2.gz WPUSSVXWPWLYKK-XJKSGUPXSA-N -1 3 389.448 3.831 20 0 GHADHM CCCCOc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c2ccccc2n1 ZINC001154238445 1031998752 /nfs/dbraw/zinc/99/87/52/1031998752.db2.gz FLBOVRGRJZQEOK-UHFFFAOYSA-N -1 3 388.431 3.846 20 0 GHADHM CCCCOc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c2ccccc2n1 ZINC001154238445 1031998758 /nfs/dbraw/zinc/99/87/58/1031998758.db2.gz FLBOVRGRJZQEOK-UHFFFAOYSA-N -1 3 388.431 3.846 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3c([O-])ccc4ccc(=O)oc43)C2)C1 ZINC001226596585 1032032011 /nfs/dbraw/zinc/03/20/11/1032032011.db2.gz MPKBCDRFXQBVLM-UHFFFAOYSA-N -1 3 387.432 3.667 20 0 GHADHM C[C@@H]1C[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CCN1C(=O)OC(C)(C)C ZINC001226596537 1032032111 /nfs/dbraw/zinc/03/21/11/1032032111.db2.gz LOFLZERMRWBDJU-TZMCWYRMSA-N -1 3 375.421 3.665 20 0 GHADHM C[C@@H]1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CN1C(=O)OC(C)(C)C ZINC001226598500 1032033950 /nfs/dbraw/zinc/03/39/50/1032033950.db2.gz CRQZSNBCEYVXGZ-TZMCWYRMSA-N -1 3 375.421 3.665 20 0 GHADHM Cc1cnc(F)c([C@@H](C)Oc2nc(=O)[n-]c3c2CN(Cc2ccccc2)CC3)c1 ZINC001226616018 1032046596 /nfs/dbraw/zinc/04/65/96/1032046596.db2.gz RSQANCXBGQFXCN-OAHLLOKOSA-N -1 3 394.450 3.723 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CNCc2cccc([O-])c2Br)CC1 ZINC000315744097 1032048521 /nfs/dbraw/zinc/04/85/21/1032048521.db2.gz QMIZHNMVAWXBAR-UHFFFAOYSA-N -1 3 397.313 3.812 20 0 GHADHM COc1cccc2nc(=O)[n-]c(O[C@@H](C)c3ccc(Br)nc3)c21 ZINC001229240041 1033360284 /nfs/dbraw/zinc/36/02/84/1033360284.db2.gz RRUXYPVBYJHPMY-VIFPVBQESA-N -1 3 376.210 3.642 20 0 GHADHM Cc1cc(C)c2c(n1)nc(=S)[n-]c2O[C@H]1CCN2Cc3ccccc3N=C12 ZINC001229305931 1033407592 /nfs/dbraw/zinc/40/75/92/1033407592.db2.gz GVGYAHUWRPBISU-HNNXBMFYSA-N -1 3 377.473 3.627 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001157244022 1033488886 /nfs/dbraw/zinc/48/88/86/1033488886.db2.gz RNIVPRPYQBKOLB-SJLPKXTDSA-N -1 3 388.508 3.818 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c1 ZINC001157244025 1033488914 /nfs/dbraw/zinc/48/89/14/1033488914.db2.gz RNIVPRPYQBKOLB-WMZOPIPTSA-N -1 3 388.508 3.818 20 0 GHADHM CCOC(=O)c1sc2nc(CN(C)C)nc(-c3ccc([O-])cc3F)c2c1C ZINC001206045027 1033698029 /nfs/dbraw/zinc/69/80/29/1033698029.db2.gz WRXJMOSXGOJEKE-UHFFFAOYSA-N -1 3 389.452 3.750 20 0 GHADHM Cc1cc(F)c(F)c(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c1 ZINC001206060955 1033704837 /nfs/dbraw/zinc/70/48/37/1033704837.db2.gz XUNZZVQOGJVWFO-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM FC(F)(F)[C@@H]([N-]c1nc2ccsc2c(N2CCOCC2)n1)c1ccccn1 ZINC001157684658 1033722651 /nfs/dbraw/zinc/72/26/51/1033722651.db2.gz OEAKOBNWUKRJSU-AWEZNQCLSA-N -1 3 395.410 3.638 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2ccccc2-c2nnn[n-]2)C(F)(F)F)c1 ZINC001229954727 1033814266 /nfs/dbraw/zinc/81/42/66/1033814266.db2.gz NUNAQVDDEFCENQ-OAHLLOKOSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2ccccc2-c2nn[n-]n2)C(F)(F)F)c1 ZINC001229954727 1033814280 /nfs/dbraw/zinc/81/42/80/1033814280.db2.gz NUNAQVDDEFCENQ-OAHLLOKOSA-N -1 3 392.337 3.726 20 0 GHADHM [O-]c1cccc(CN2CCN(c3c(F)cccc3F)CC2)c1Br ZINC001206418730 1033834818 /nfs/dbraw/zinc/83/48/18/1033834818.db2.gz ISJHZSZRIAGBMC-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(c3ccccc3C)CCCC2)c([O-])c(OC)c1 ZINC001158245078 1033985619 /nfs/dbraw/zinc/98/56/19/1033985619.db2.gz CNICLIDFNYAULP-UHFFFAOYSA-N -1 3 383.444 3.946 20 0 GHADHM COc1c(OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)ccc2ccccc21 ZINC001158437878 1034075999 /nfs/dbraw/zinc/07/59/99/1034075999.db2.gz GVBXDQFKWMEFOF-UHFFFAOYSA-N -1 3 389.404 3.578 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@H](/C=C/c1ccccc1)c1ccccc1 ZINC001230501812 1034093812 /nfs/dbraw/zinc/09/38/12/1034093812.db2.gz KLSUSUNQHNZAIQ-JXOMPUQVSA-N -1 3 376.412 3.731 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2SC(F)(F)F)c1 ZINC001158812487 1034283034 /nfs/dbraw/zinc/28/30/34/1034283034.db2.gz WEDLCSZQCTZJJB-UHFFFAOYSA-N -1 3 384.379 3.893 20 0 GHADHM O=C(NCC[C@H]1CCC(F)(F)C1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001158836631 1034293084 /nfs/dbraw/zinc/29/30/84/1034293084.db2.gz JSCAALVJHJXGNW-SNVBAGLBSA-N -1 3 399.235 3.846 20 0 GHADHM C[C@@H](NC(=O)Nc1csc(-c2ccccc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001207419728 1034355412 /nfs/dbraw/zinc/35/54/12/1034355412.db2.gz DNHDUAPQEQJYNJ-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM CCCCOC[C@H](C)OC[C@H](C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231088342 1034388541 /nfs/dbraw/zinc/38/85/41/1034388541.db2.gz NUGINKQXBJBTIM-STQMWFEESA-N -1 3 389.876 3.606 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231118036 1034409303 /nfs/dbraw/zinc/40/93/03/1034409303.db2.gz IDJYCUSALQAMGC-HXUWFJFHSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231118036 1034409309 /nfs/dbraw/zinc/40/93/09/1034409309.db2.gz IDJYCUSALQAMGC-HXUWFJFHSA-N -1 3 386.411 3.730 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 ZINC001159126779 1034437659 /nfs/dbraw/zinc/43/76/59/1034437659.db2.gz RLTWODZOGOQWLM-IFXJQAMLSA-N -1 3 384.451 3.576 20 0 GHADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC001159207489 1034484057 /nfs/dbraw/zinc/48/40/57/1034484057.db2.gz FLCLFYUPLCQOJI-HXUWFJFHSA-N -1 3 381.520 3.593 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001207690039 1034528663 /nfs/dbraw/zinc/52/86/63/1034528663.db2.gz MDLFEHXVSATOPS-UHFFFAOYSA-N -1 3 376.388 3.660 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462371 1034607759 /nfs/dbraw/zinc/60/77/59/1034607759.db2.gz IGOCNLPIEXHBLV-IBGZPJMESA-N -1 3 380.510 3.812 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc([O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC001231522118 1034673676 /nfs/dbraw/zinc/67/36/76/1034673676.db2.gz CYRWKCVLCNOMET-UKRRQHHQSA-N -1 3 386.414 3.852 20 0 GHADHM O=C(Nc1ccccc1)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231523473 1034674811 /nfs/dbraw/zinc/67/48/11/1034674811.db2.gz XNPJWVPCVKEIOJ-UHFFFAOYSA-N -1 3 379.382 3.761 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001231680810 1034832109 /nfs/dbraw/zinc/83/21/09/1034832109.db2.gz GIUCRDHLBLMGNB-LJQANCHMSA-N -1 3 392.499 3.933 20 0 GHADHM O=C1CC[C@]2(CCCN(Cc3ccc(Cl)c([O-])c3)C2)N1Cc1ccncc1 ZINC001231731428 1034867967 /nfs/dbraw/zinc/86/79/67/1034867967.db2.gz PPGDBIXXPAAVAI-NRFANRHFSA-N -1 3 385.895 3.598 20 0 GHADHM CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160321810 1034939357 /nfs/dbraw/zinc/93/93/57/1034939357.db2.gz ZDWGIUVEIYVCBT-BLLLJJGKSA-N -1 3 378.469 3.863 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 ZINC001208661868 1034973243 /nfs/dbraw/zinc/97/32/43/1034973243.db2.gz KGZIGUQCZZNLPQ-UHFFFAOYSA-N -1 3 386.498 3.532 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)c[n-]c12 ZINC001160605130 1035014834 /nfs/dbraw/zinc/01/48/34/1035014834.db2.gz JPDYYIAJPIWYSW-UHFFFAOYSA-N -1 3 383.398 3.967 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001160692772 1035037330 /nfs/dbraw/zinc/03/73/30/1035037330.db2.gz INBYLJMABFQVPR-UHFFFAOYSA-N -1 3 396.874 3.856 20 0 GHADHM Cc1csc(CCC[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)n1 ZINC001209052617 1035158539 /nfs/dbraw/zinc/15/85/39/1035158539.db2.gz CYNSTQDWHZANPI-UHFFFAOYSA-N -1 3 393.559 3.795 20 0 GHADHM COC(=O)[C@H](C)c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001161693552 1035285965 /nfs/dbraw/zinc/28/59/65/1035285965.db2.gz JWRSXQDAPIHSIK-LLVKDONJSA-N -1 3 384.819 3.710 20 0 GHADHM O=C(NCc1nc(-c2cccc3nccc(Cl)c32)no1)c1ccccc1[O-] ZINC001248499545 1035917353 /nfs/dbraw/zinc/91/73/53/1035917353.db2.gz GAWGQMRLZMZTKY-UHFFFAOYSA-N -1 3 380.791 3.574 20 0 GHADHM Cc1ccc(C(F)(F)F)c(-c2noc(CNC(=O)c3ccccc3[O-])n2)c1 ZINC001248499604 1035917505 /nfs/dbraw/zinc/91/75/05/1035917505.db2.gz IYCCESQMGIXHEP-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(OC(F)F)c(OC4CCC4)c3)ccc2[n-]1 ZINC001242819730 1035967204 /nfs/dbraw/zinc/96/72/04/1035967204.db2.gz FMNZSOGLYOQKJI-UHFFFAOYSA-N -1 3 389.358 3.944 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)nc2[n-]1 ZINC001242819730 1035967213 /nfs/dbraw/zinc/96/72/13/1035967213.db2.gz FMNZSOGLYOQKJI-UHFFFAOYSA-N -1 3 389.358 3.944 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)[n-]c-2n1 ZINC001242819730 1035967220 /nfs/dbraw/zinc/96/72/20/1035967220.db2.gz FMNZSOGLYOQKJI-UHFFFAOYSA-N -1 3 389.358 3.944 20 0 GHADHM CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(-c2cccc([O-])c2F)ncn1 ZINC001243540944 1036202001 /nfs/dbraw/zinc/20/20/01/1036202001.db2.gz ASUSMAFYEGWLEW-RVDMUPIBSA-N -1 3 396.374 3.941 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000464216342 1036735840 /nfs/dbraw/zinc/73/58/40/1036735840.db2.gz PXDDCQQUDOWEGT-UHFFFAOYSA-N -1 3 392.691 3.949 20 0 GHADHM CCC1CCC(c2ccc(-c3noc([C@@H](N)CCc4nn[n-]n4)n3)cc2)CC1 ZINC001247285320 1038069378 /nfs/dbraw/zinc/06/93/78/1038069378.db2.gz VWTHGMCQHZKTIS-KVULBXGLSA-N -1 3 381.484 3.566 20 0 GHADHM CN(Cc1nc2ccccc2o1)Cc1ccc([O-])c(I)c1 ZINC001232870794 1038636418 /nfs/dbraw/zinc/63/64/18/1038636418.db2.gz VVQCFPSXPJQBEL-UHFFFAOYSA-N -1 3 394.212 3.770 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC001252066189 1038841374 /nfs/dbraw/zinc/84/13/74/1038841374.db2.gz XGWJAZBYUCQRCD-UHFFFAOYSA-N -1 3 383.897 3.830 20 0 GHADHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC001252263172 1038916558 /nfs/dbraw/zinc/91/65/58/1038916558.db2.gz GIAAPOCTUADTBX-BLLLJJGKSA-N -1 3 378.806 3.742 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(N(Cc2ccc([S-])cc2)C2COC2)CC1 ZINC001233262080 1039030565 /nfs/dbraw/zinc/03/05/65/1039030565.db2.gz PQTFNOUPLDLNTB-UHFFFAOYSA-N -1 3 378.538 3.576 20 0 GHADHM CCOC(=O)[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C[C@H]1c1ccccc1 ZINC001233396222 1039230097 /nfs/dbraw/zinc/23/00/97/1039230097.db2.gz QGOBNOTTYQLDJN-HOTGVXAUSA-N -1 3 375.415 3.839 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395391 1039230961 /nfs/dbraw/zinc/23/09/61/1039230961.db2.gz VWACVFRVGACXID-LJQANCHMSA-N -1 3 378.444 3.751 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1Cc1c(F)ccc([O-])c1F ZINC001233397020 1039232692 /nfs/dbraw/zinc/23/26/92/1039232692.db2.gz HXYRFEJZFKHSPD-LLVKDONJSA-N -1 3 392.393 3.795 20 0 GHADHM COc1ccc(CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398811 1039235704 /nfs/dbraw/zinc/23/57/04/1039235704.db2.gz ZTCSKUAJTATSLS-JLTOFOAXSA-N -1 3 396.915 3.933 20 0 GHADHM COc1ccc(CN2CCC(N(C)C(=O)c3ccccc3)CC2)c(Cl)c1[O-] ZINC001233401828 1039243090 /nfs/dbraw/zinc/24/30/90/1039243090.db2.gz PRVFGOHNECEQRL-UHFFFAOYSA-N -1 3 388.895 3.791 20 0 GHADHM CCCCS(=O)(=O)[N-]c1ccccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253871460 1039870694 /nfs/dbraw/zinc/87/06/94/1039870694.db2.gz REGGHQLEHVGCMI-OAHLLOKOSA-N -1 3 398.525 3.617 20 0 GHADHM CCOC(=O)[C@@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-])C1CC1 ZINC001234381355 1039992995 /nfs/dbraw/zinc/99/29/95/1039992995.db2.gz ONWVZZLLFLUODA-IBGZPJMESA-N -1 3 380.396 3.886 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](C)C(=O)N3C)c1C ZINC001254166724 1040020144 /nfs/dbraw/zinc/02/01/44/1040020144.db2.gz JWJPNKYQCWBAEP-AWEZNQCLSA-N -1 3 386.517 3.876 20 0 GHADHM COC(=O)[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1cccc(Cl)c1 ZINC001234789767 1040321102 /nfs/dbraw/zinc/32/11/02/1040321102.db2.gz BZRGPAWYBVTQIV-SFHVURJKSA-N -1 3 378.808 3.858 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCCN([C@H](C)c3ccccn3)C2)c1C(C)=O ZINC001234793193 1040324309 /nfs/dbraw/zinc/32/43/09/1040324309.db2.gz NILVZABMSRDMKG-NVXWUHKLSA-N -1 3 384.476 3.911 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C)c1cccc2ccccc21 ZINC001254651088 1040419749 /nfs/dbraw/zinc/41/97/49/1040419749.db2.gz WKWCHBLLAQGWSY-HXUWFJFHSA-N -1 3 383.469 3.731 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1ccc(F)c(Cl)c1 ZINC001254941552 1040680017 /nfs/dbraw/zinc/68/00/17/1040680017.db2.gz JWOFBEFRCCQLJJ-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CCCC1 ZINC001254959794 1040691493 /nfs/dbraw/zinc/69/14/93/1040691493.db2.gz XNOJKFOVWLCOST-UHFFFAOYSA-N -1 3 384.860 3.889 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001255075418 1040766401 /nfs/dbraw/zinc/76/64/01/1040766401.db2.gz ATWXHROYGYYAML-UHFFFAOYSA-N -1 3 380.897 3.540 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001255920679 1041407973 /nfs/dbraw/zinc/40/79/73/1041407973.db2.gz CJHDJFIOLFSFTO-UHFFFAOYSA-N -1 3 389.395 3.922 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2F)cc1F ZINC001256067381 1041503993 /nfs/dbraw/zinc/50/39/93/1041503993.db2.gz KYOAUGHDPXDSRB-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cccc2ccccc21)c1ccc(F)cc1F ZINC001256098653 1041525757 /nfs/dbraw/zinc/52/57/57/1041525757.db2.gz TWJUYTOKIHWRKD-GOSISDBHSA-N -1 3 377.412 3.520 20 0 GHADHM O=C(Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc([O-])c1Cl ZINC001278911911 1041544331 /nfs/dbraw/zinc/54/43/31/1041544331.db2.gz LIRDPJROMOGEGC-ALOPSCKCSA-N -1 3 390.936 3.961 20 0 GHADHM O=S(=O)([N-]Cc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F ZINC001256118990 1041551390 /nfs/dbraw/zinc/55/13/90/1041551390.db2.gz ROYVTLQRXOBRTD-UHFFFAOYSA-N -1 3 384.404 3.706 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C(F)(F)F)c(C)cc1Cl ZINC001256211414 1041650669 /nfs/dbraw/zinc/65/06/69/1041650669.db2.gz KTOYKBUGARUPJY-AWEZNQCLSA-N -1 3 378.803 3.934 20 0 GHADHM COc1cc(CN(C)Cc2ccc(Br)c([O-])c2)cc(OC)c1OC ZINC001236687800 1041832701 /nfs/dbraw/zinc/83/27/01/1041832701.db2.gz PCCRANOLVVDSRX-UHFFFAOYSA-N -1 3 396.281 3.813 20 0 GHADHM [O-]c1cc(CN2CCN(Cc3ccccc3F)CC2)ccc1Br ZINC001236688435 1041833402 /nfs/dbraw/zinc/83/34/02/1041833402.db2.gz UMWXWBUPZFWECR-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM C[C@H]1CN(Cc2ccc(Br)c([O-])c2)CCC[C@]1(O)C(F)(F)F ZINC001236692504 1041834723 /nfs/dbraw/zinc/83/47/23/1041834723.db2.gz RKPBTZJIQVDCDK-IINYFYTJSA-N -1 3 382.220 3.680 20 0 GHADHM [O-]c1cc(CN2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)ccc1F ZINC001236701588 1041840790 /nfs/dbraw/zinc/84/07/90/1041840790.db2.gz KYFZUXWHKOKYGA-GOSISDBHSA-N -1 3 385.483 3.664 20 0 GHADHM CC(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4sc(=O)[n-]c4Cl)C[C@H]3O2)n1 ZINC001237157824 1042068803 /nfs/dbraw/zinc/06/88/03/1042068803.db2.gz HTTGVYGBMANTRT-FPMFFAJLSA-N -1 3 394.928 3.768 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC001237170290 1042077212 /nfs/dbraw/zinc/07/72/12/1042077212.db2.gz VMOHBBQCFSWBAJ-UHFFFAOYSA-N -1 3 391.846 3.839 20 0 GHADHM [S-]c1ccoc1CN1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001237179801 1042080966 /nfs/dbraw/zinc/08/09/66/1042080966.db2.gz GDSGHKOCEPUVLM-ZDUSSCGKSA-N -1 3 394.294 3.552 20 0 GHADHM O=C1Nc2ccccc2C12CCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001237518395 1042247291 /nfs/dbraw/zinc/24/72/91/1042247291.db2.gz JWXWVGLTDWMNOI-UHFFFAOYSA-N -1 3 378.259 3.580 20 0 GHADHM Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cc(Cl)nc(Cl)c2[O-])o1 ZINC001237522314 1042249406 /nfs/dbraw/zinc/24/94/06/1042249406.db2.gz ZIHQFKVIPURZFI-CABCVRRESA-N -1 3 382.291 3.844 20 0 GHADHM Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC001237918370 1042422467 /nfs/dbraw/zinc/42/24/67/1042422467.db2.gz WOZJVMABERNVCG-UHFFFAOYSA-N -1 3 379.638 3.625 20 0 GHADHM [O-]c1c(F)cc(CN2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc1Cl ZINC001237988127 1042445700 /nfs/dbraw/zinc/44/57/00/1042445700.db2.gz JGPWSKAFQFEJCO-UHFFFAOYSA-N -1 3 394.874 3.645 20 0 GHADHM O=C1N(c2ccsc2)CC[C@]12CCN(Cc1cc(F)c([O-])c(Cl)c1)C2 ZINC001237991271 1042447135 /nfs/dbraw/zinc/44/71/35/1042447135.db2.gz XTMZWOKEWHSMFA-SFHVURJKSA-N -1 3 380.872 3.875 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N)c(Br)c1 ZINC001237994808 1042449158 /nfs/dbraw/zinc/44/91/58/1042449158.db2.gz SHEXJBDMWSUYNR-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1 ZINC001292236993 1043640554 /nfs/dbraw/zinc/64/05/54/1043640554.db2.gz VAQRSPNVBNRRPY-INIZCTEOSA-N -1 3 377.437 3.678 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1COCc1ccccc1 ZINC001292432533 1043730664 /nfs/dbraw/zinc/73/06/64/1043730664.db2.gz HFTNGSLVJSMHFM-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1COCc1ccccc1 ZINC001292432533 1043730673 /nfs/dbraw/zinc/73/06/73/1043730673.db2.gz HFTNGSLVJSMHFM-UHFFFAOYSA-N -1 3 385.427 3.836 20 0 GHADHM CNC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)c1 ZINC001256958025 1043773637 /nfs/dbraw/zinc/77/36/37/1043773637.db2.gz BKVJLRYCPYSZLX-UHFFFAOYSA-N -1 3 396.468 3.948 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)cc1OC ZINC001257015577 1043800884 /nfs/dbraw/zinc/80/08/84/1043800884.db2.gz BFQGZJGVNSJHDY-UHFFFAOYSA-N -1 3 396.774 3.572 20 0 GHADHM COc1nc(C)cc(C)c1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001292781824 1043872359 /nfs/dbraw/zinc/87/23/59/1043872359.db2.gz LARSTOPMZUZTID-UHFFFAOYSA-N -1 3 376.456 3.933 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Br)c1)c1cccc(Cl)c1Cl ZINC001257284357 1043955994 /nfs/dbraw/zinc/95/59/94/1043955994.db2.gz DRQRGKYUASYEMX-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)c1 ZINC001257615189 1044087018 /nfs/dbraw/zinc/08/70/18/1044087018.db2.gz ZDKVMMNDYJCYRE-UHFFFAOYSA-N -1 3 382.913 3.576 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001293270856 1044087273 /nfs/dbraw/zinc/08/72/73/1044087273.db2.gz YOTZTYNJBCPJGN-UHFFFAOYSA-N -1 3 388.851 3.739 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001293365303 1044139093 /nfs/dbraw/zinc/13/90/93/1044139093.db2.gz QMUBQXOKJAXLCE-OAHLLOKOSA-N -1 3 392.496 3.604 20 0 GHADHM CCCCC(CCCC)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001258388692 1044530361 /nfs/dbraw/zinc/53/03/61/1044530361.db2.gz HKWZMHUBRLTDMM-INIZCTEOSA-N -1 3 386.583 3.766 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2cccs2)c1 ZINC001294427496 1044622451 /nfs/dbraw/zinc/62/24/51/1044622451.db2.gz HLWUOYXDJBOQKD-LBPRGKRZSA-N -1 3 399.472 3.706 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001258720440 1044733729 /nfs/dbraw/zinc/73/37/29/1044733729.db2.gz KBQCHHYAEGDGFU-LLVKDONJSA-N -1 3 395.481 3.678 20 0 GHADHM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc([O-])cc(Br)c1 ZINC001294756218 1044786885 /nfs/dbraw/zinc/78/68/85/1044786885.db2.gz BOTHCENRIVAUDS-SFHVURJKSA-N -1 3 386.245 3.771 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1[O-] ZINC001258901517 1044856441 /nfs/dbraw/zinc/85/64/41/1044856441.db2.gz LRHQYNQAACXTLR-UHFFFAOYSA-N -1 3 396.679 3.840 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)c(F)c1F ZINC001462865274 1070607301 /nfs/dbraw/zinc/60/73/01/1070607301.db2.gz KRVHWJHLHXGGSK-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccncc1 ZINC001259034304 1044927430 /nfs/dbraw/zinc/92/74/30/1044927430.db2.gz QLZMMRSDIUAVIL-IBGZPJMESA-N -1 3 392.402 3.875 20 0 GHADHM COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1C(F)(F)F ZINC001259043122 1044932326 /nfs/dbraw/zinc/93/23/26/1044932326.db2.gz PNYQBTZARMVKJD-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2cc(Cl)ccc2OCC)c1 ZINC001295163910 1044935646 /nfs/dbraw/zinc/93/56/46/1044935646.db2.gz ZZDWYFHAGZLVCH-UHFFFAOYSA-N -1 3 388.851 3.541 20 0 GHADHM O=S(=O)([N-]c1c(CO)ccc(F)c1F)c1ccc(-c2ccccc2)cc1 ZINC001259050227 1044936796 /nfs/dbraw/zinc/93/67/96/1044936796.db2.gz SSSANKRZKDQRHL-UHFFFAOYSA-N -1 3 375.396 3.925 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cc(F)cc2F)c1ccc(Br)s1 ZINC001259060530 1044941836 /nfs/dbraw/zinc/94/18/36/1044941836.db2.gz SXOWRUKREMRURA-NSHDSACASA-N -1 3 394.262 3.755 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC001259062523 1044942775 /nfs/dbraw/zinc/94/27/75/1044942775.db2.gz ZKSOBAQQENZHCM-LLVKDONJSA-N -1 3 386.336 3.594 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Br ZINC001259085287 1044954481 /nfs/dbraw/zinc/95/44/81/1044954481.db2.gz YYYWUQSZGQOZDA-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCOCC2)c(C)c1 ZINC001259101602 1044962170 /nfs/dbraw/zinc/96/21/70/1044962170.db2.gz NNJZNIGFTCWCQH-UHFFFAOYSA-N -1 3 379.453 3.801 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(Cl)ncc1Br ZINC001259197351 1045002610 /nfs/dbraw/zinc/00/26/10/1045002610.db2.gz UQSCODOAWPILSA-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](c3ccncc3)C3CCCC3)nc21 ZINC001295453727 1045022895 /nfs/dbraw/zinc/02/28/95/1045022895.db2.gz LOZINCCNBDHONF-KRWDZBQOSA-N -1 3 378.432 3.657 20 0 GHADHM COc1cc(Br)cc(F)c1[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC001259265545 1045053430 /nfs/dbraw/zinc/05/34/30/1045053430.db2.gz QLBMCEYPDKODCK-UHFFFAOYSA-N -1 3 388.258 3.847 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(Br)c1F)c1cc(F)cc(F)c1 ZINC001259311836 1045071071 /nfs/dbraw/zinc/07/10/71/1045071071.db2.gz ROTXMFISBCEEAT-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)nn1-c1ccc(C)cc1 ZINC001295633315 1045080681 /nfs/dbraw/zinc/08/06/81/1045080681.db2.gz RHADCIIIJFMVBF-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259369881 1045106090 /nfs/dbraw/zinc/10/60/90/1045106090.db2.gz ZNARBHQUSAVFKC-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1c[n-]c2c(Cl)cccc2c1=O ZINC001295769898 1045132361 /nfs/dbraw/zinc/13/23/61/1045132361.db2.gz YGYMUXHBFDPGCM-INIZCTEOSA-N -1 3 386.810 3.964 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001295790444 1045140077 /nfs/dbraw/zinc/14/00/77/1045140077.db2.gz DNAMATQWIJIEPM-CHWSQXEVSA-N -1 3 390.505 3.982 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1F ZINC001259472083 1045184805 /nfs/dbraw/zinc/18/48/05/1045184805.db2.gz GWTXLNBJVKEJDH-NSHDSACASA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1Cl)C1CC1)c1cccc(Cl)c1F ZINC001259473592 1045186027 /nfs/dbraw/zinc/18/60/27/1045186027.db2.gz WLIZVCLYFNEHQW-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1OC1CCOCC1 ZINC001259490774 1045199492 /nfs/dbraw/zinc/19/94/92/1045199492.db2.gz PBQRQCXLORHOHT-UHFFFAOYSA-N -1 3 383.416 3.632 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Cl)c(OC)c1 ZINC001259501537 1045207277 /nfs/dbraw/zinc/20/72/77/1045207277.db2.gz MDRFZEAHUPRXNK-UHFFFAOYSA-N -1 3 381.759 3.575 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(Cl)c1)C1CC1)c1ccc(Cl)cc1F ZINC001259513258 1045214661 /nfs/dbraw/zinc/21/46/61/1045214661.db2.gz AVUFTJZTVYBRRN-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM CSc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259514491 1045215734 /nfs/dbraw/zinc/21/57/34/1045215734.db2.gz QLOBDCXDXBUGDO-UHFFFAOYSA-N -1 3 375.874 3.558 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(Cl)c1)C1CC1)c1ccc(Cl)cc1F ZINC001259514690 1045216462 /nfs/dbraw/zinc/21/64/62/1045216462.db2.gz AZSHWHMSVKWFAT-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C)c1)c1cccc2ccccc21 ZINC001259526828 1045224682 /nfs/dbraw/zinc/22/46/82/1045224682.db2.gz AWAWVDJIXAMRKE-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Br)c1cccnc1 ZINC001259607376 1045242154 /nfs/dbraw/zinc/24/21/54/1045242154.db2.gz QEYGZRUINNAMJM-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C)c2)cc1 ZINC001259725109 1045276029 /nfs/dbraw/zinc/27/60/29/1045276029.db2.gz CLQWMQPMLXLWFL-UHFFFAOYSA-N -1 3 391.493 3.678 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462899888 1070639953 /nfs/dbraw/zinc/63/99/53/1070639953.db2.gz KBLLOFSQXNSDJB-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC001259891220 1045329120 /nfs/dbraw/zinc/32/91/20/1045329120.db2.gz OOOKQVGQYKKBLK-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM COCCS(=O)(=O)[N-]c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl ZINC001259972249 1045336692 /nfs/dbraw/zinc/33/66/92/1045336692.db2.gz YHYJEQFHFVNHQR-UHFFFAOYSA-N -1 3 396.896 3.597 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c[nH]c(Cl)cc3=O)s2)cs1 ZINC001259978809 1045339175 /nfs/dbraw/zinc/33/91/75/1045339175.db2.gz VFNVLMQFMFWQHV-UHFFFAOYSA-N -1 3 387.895 3.735 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC001260129449 1045388959 /nfs/dbraw/zinc/38/89/59/1045388959.db2.gz FYEXVMRFKXSJLH-UHFFFAOYSA-N -1 3 375.837 3.595 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)c1F ZINC001260245291 1045425677 /nfs/dbraw/zinc/42/56/77/1045425677.db2.gz MUUGUKMMROILBD-UHFFFAOYSA-N -1 3 394.468 3.669 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(Cl)nc(Cl)cc1C(C)=O ZINC001260292227 1045448575 /nfs/dbraw/zinc/44/85/75/1045448575.db2.gz QUYJQEOYNLWCQG-UHFFFAOYSA-N -1 3 389.260 3.709 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1ccc(Br)cc1F ZINC001260380815 1045484185 /nfs/dbraw/zinc/48/41/85/1045484185.db2.gz CHAXJONRDYDAJA-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1Cl)c1ccc(Br)cc1F ZINC001260380234 1045484219 /nfs/dbraw/zinc/48/42/19/1045484219.db2.gz ZEVCFBWGTVUKAT-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC001462915253 1070656976 /nfs/dbraw/zinc/65/69/76/1070656976.db2.gz UEPYQPVUQHVWRT-WDEREUQCSA-N -1 3 394.306 3.701 20 0 GHADHM CCc1ccc(N(CC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC001297445167 1045525794 /nfs/dbraw/zinc/52/57/94/1045525794.db2.gz BHLAJMINTKSYRI-UHFFFAOYSA-N -1 3 392.496 3.599 20 0 GHADHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])n[nH]1 ZINC001297452118 1045527743 /nfs/dbraw/zinc/52/77/43/1045527743.db2.gz SOSGQDHCYMBIKU-VXGBXAGGSA-N -1 3 382.420 3.587 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)OC)cc2F)cc1 ZINC001260577121 1045563920 /nfs/dbraw/zinc/56/39/20/1045563920.db2.gz HYIBVWWXBVLMST-UHFFFAOYSA-N -1 3 399.415 3.731 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001297609014 1045587421 /nfs/dbraw/zinc/58/74/21/1045587421.db2.gz FBXNCZUNPYRBCZ-FCEHDVOZSA-N -1 3 395.503 3.877 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC001260649197 1045590433 /nfs/dbraw/zinc/59/04/33/1045590433.db2.gz NAELQVLSYHDJMK-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C(F)(F)F)cc1F ZINC001260664002 1045598906 /nfs/dbraw/zinc/59/89/06/1045598906.db2.gz ZWBNYCLKPFORSI-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM Cn1cc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)cn1 ZINC001260712924 1045620340 /nfs/dbraw/zinc/62/03/40/1045620340.db2.gz WTEBTCKPESUUEZ-UHFFFAOYSA-N -1 3 397.500 3.992 20 0 GHADHM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001297797428 1045624384 /nfs/dbraw/zinc/62/43/84/1045624384.db2.gz GUSNIAUWMGXIDW-UHFFFAOYSA-N -1 3 399.372 3.789 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)c1 ZINC001260803531 1045672609 /nfs/dbraw/zinc/67/26/09/1045672609.db2.gz MYJKFMYFTXVLAT-UHFFFAOYSA-N -1 3 393.774 3.513 20 0 GHADHM O=C1NCc2cccc([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2N1 ZINC001260823639 1045690134 /nfs/dbraw/zinc/69/01/34/1045690134.db2.gz JQTIOTMYMCGOKT-UHFFFAOYSA-N -1 3 386.260 3.570 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1O ZINC001260854947 1045714363 /nfs/dbraw/zinc/71/43/63/1045714363.db2.gz BSEVZJVNQOHOCW-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462956619 1070689621 /nfs/dbraw/zinc/68/96/21/1070689621.db2.gz WXIHBFQRCJMWMC-OAHLLOKOSA-N -1 3 394.393 3.820 20 0 GHADHM COC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1cccc(C)c1C ZINC001260997766 1045812065 /nfs/dbraw/zinc/81/20/65/1045812065.db2.gz GQOAVTRCSSXJKD-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Cc1cccnc1 ZINC001261013820 1045835238 /nfs/dbraw/zinc/83/52/38/1045835238.db2.gz JUMRFOOFNJQRNB-UHFFFAOYSA-N -1 3 390.402 3.787 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Cc1ccccn1 ZINC001261013784 1045835361 /nfs/dbraw/zinc/83/53/61/1045835361.db2.gz IJRJYMGYUFFRMW-UHFFFAOYSA-N -1 3 390.402 3.787 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)N2CCCC2)o1 ZINC001462980117 1070706384 /nfs/dbraw/zinc/70/63/84/1070706384.db2.gz MXWXGEUDDRUHCU-MRXNPFEDSA-N -1 3 392.452 3.589 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001261062481 1045882257 /nfs/dbraw/zinc/88/22/57/1045882257.db2.gz IMJZFALPMKWOAR-UWVGGRQHSA-N -1 3 379.931 3.681 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC001261063934 1045882954 /nfs/dbraw/zinc/88/29/54/1045882954.db2.gz BYNHJDBNMQVYCR-SSDOTTSWSA-N -1 3 395.836 3.506 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC001261065341 1045885225 /nfs/dbraw/zinc/88/52/25/1045885225.db2.gz OOGMWGMUMMZXLV-LBPRGKRZSA-N -1 3 399.921 3.587 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(C)(C)C ZINC001462987940 1070711321 /nfs/dbraw/zinc/71/13/21/1070711321.db2.gz IIECKTDZFQYRSR-ZIAGYGMSSA-N -1 3 385.501 3.743 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001298996115 1045995315 /nfs/dbraw/zinc/99/53/15/1045995315.db2.gz YCCNGSDTFIUAAH-SNAWJCMRSA-N -1 3 379.367 3.523 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001298996115 1045995327 /nfs/dbraw/zinc/99/53/27/1045995327.db2.gz YCCNGSDTFIUAAH-SNAWJCMRSA-N -1 3 379.367 3.523 20 0 GHADHM CCc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1-c1ccccc1 ZINC001261655505 1046053486 /nfs/dbraw/zinc/05/34/86/1046053486.db2.gz YHTIHSOTSKAIDZ-UHFFFAOYSA-N -1 3 392.425 3.601 20 0 GHADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc2cc(C)ccc2c1)c1ccccc1 ZINC001463033799 1070745839 /nfs/dbraw/zinc/74/58/39/1070745839.db2.gz YVXAGRJXHIRPRU-OAQYLSRUSA-N -1 3 383.469 3.515 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001300860349 1046212800 /nfs/dbraw/zinc/21/28/00/1046212800.db2.gz KNMRWTXHZOQXCG-QGZVFWFLSA-N -1 3 386.810 3.534 20 0 GHADHM CN1c2ccccc2CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1=O ZINC001300961675 1046261514 /nfs/dbraw/zinc/26/15/14/1046261514.db2.gz COPNRNNCAWDBDU-UHFFFAOYSA-N -1 3 386.451 3.602 20 0 GHADHM CC(C)(C)Oc1ccncc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001262615527 1046282502 /nfs/dbraw/zinc/28/25/02/1046282502.db2.gz NWHSFVSIHIXHRC-UHFFFAOYSA-N -1 3 397.884 3.536 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463101063 1070794084 /nfs/dbraw/zinc/79/40/84/1070794084.db2.gz VZYYNKCMOKMBJQ-MAUKXSAKSA-N -1 3 394.562 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O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1ccc(-c2ccccc2Cl)o1 ZINC001321113069 1056099680 /nfs/dbraw/zinc/09/96/80/1056099680.db2.gz JOOLOKWWGKCXCE-OAHLLOKOSA-N -1 3 380.231 3.693 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2F)ccc1F ZINC001200491120 1056111372 /nfs/dbraw/zinc/11/13/72/1056111372.db2.gz AJBVXJRFPMQNHM-UHFFFAOYSA-N -1 3 383.294 3.673 20 0 GHADHM COc1c(C(=O)Nc2ccc(Br)cc2[O-])cnn1-c1ccccc1 ZINC001321320758 1056223143 /nfs/dbraw/zinc/22/31/43/1056223143.db2.gz YQIMJMZLSOFFOQ-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001321615853 1056342636 /nfs/dbraw/zinc/34/26/36/1056342636.db2.gz GHYAMXRVFWTLFN-UHFFFAOYSA-N -1 3 375.472 3.762 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ncc(C(F)(F)F)cc3Cl)C2)n1 ZINC001354254800 1056475801 /nfs/dbraw/zinc/47/58/01/1056475801.db2.gz CYXPVHWGFQQPTA-NSHDSACASA-N -1 3 387.793 3.639 20 0 GHADHM CC1CCN(C(=O)c2ccccc2NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC001354362560 1056560513 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20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC001322762278 1056839122 /nfs/dbraw/zinc/83/91/22/1056839122.db2.gz XVXISXJRGNTKOD-UHFFFAOYSA-N -1 3 393.827 3.637 20 0 GHADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001323073074 1056918349 /nfs/dbraw/zinc/91/83/49/1056918349.db2.gz QUZRJECQPFKKCN-KRWDZBQOSA-N -1 3 391.899 3.989 20 0 GHADHM CCCc1ccc(-c2ccc(NC(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1 ZINC001200801456 1056964389 /nfs/dbraw/zinc/96/43/89/1056964389.db2.gz XMTRZKFWFCXDER-LJQANCHMSA-N -1 3 378.476 3.940 20 0 GHADHM CCc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Br)s1 ZINC001323838957 1057021274 /nfs/dbraw/zinc/02/12/74/1057021274.db2.gz SXJMCYIMBGXGET-UHFFFAOYSA-N -1 3 378.288 3.691 20 0 GHADHM Cc1cc(Cl)cc(C)c1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001323930696 1057038295 /nfs/dbraw/zinc/03/82/95/1057038295.db2.gz SNLIWFODTRMXRA-LBPRGKRZSA-N -1 3 391.821 3.879 20 0 GHADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001355228374 1057089733 /nfs/dbraw/zinc/08/97/33/1057089733.db2.gz QZCLNYNHVIRLPF-BBRMVZONSA-N -1 3 398.544 3.847 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccccn1 ZINC001324732178 1057214788 /nfs/dbraw/zinc/21/47/88/1057214788.db2.gz XWNRDLDDMZMQEU-LLVKDONJSA-N -1 3 393.818 3.969 20 0 GHADHM CC[C@@H](C)c1nc(C)c(CC(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1 ZINC000848865732 1057376339 /nfs/dbraw/zinc/37/63/39/1057376339.db2.gz MCDOGWNVJOXKKY-GFCCVEGCSA-N -1 3 396.447 3.648 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC001475252219 1057560611 /nfs/dbraw/zinc/56/06/11/1057560611.db2.gz NEGLBMWEONAUJK-ROYPQONJSA-N -1 3 398.937 3.577 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2ccc(C(=O)OC)o2)sc2c1CCCCC2 ZINC001356630339 1057579618 /nfs/dbraw/zinc/57/96/18/1057579618.db2.gz GRIHZVDEAVMLSS-UHFFFAOYSA-N -1 3 391.445 3.826 20 0 GHADHM CN(C)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc(C(F)(F)F)c1 ZINC001439576257 1058217270 /nfs/dbraw/zinc/21/72/70/1058217270.db2.gz ILSLNIHOAPOHMI-UHFFFAOYSA-N -1 3 375.350 3.865 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]C2(c3ccc4c(c3)OCCO4)CC2)cnc1Cl ZINC001439638730 1058242146 /nfs/dbraw/zinc/24/21/46/1058242146.db2.gz TYYZNTLYGZKICR-UHFFFAOYSA-N -1 3 394.805 3.712 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3cccc(Cl)c3C)nc21 ZINC001439995106 1058379430 /nfs/dbraw/zinc/37/94/30/1058379430.db2.gz DBJOHCAHKKZLMG-UHFFFAOYSA-N -1 3 387.823 3.719 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4ccc(F)cc34)nc21 ZINC001440000530 1058381995 /nfs/dbraw/zinc/38/19/95/1058381995.db2.gz WVQUEFLTBBEOLN-UHFFFAOYSA-N -1 3 380.379 3.541 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)c2cccc(Br)c2[O-])N(C)C)cc1 ZINC001440674700 1058574630 /nfs/dbraw/zinc/57/46/30/1058574630.db2.gz UAQDHILZPPUTDA-QGZVFWFLSA-N -1 3 391.309 3.750 20 0 GHADHM O=C(NCCCCOc1ccc(F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001440928959 1058661335 /nfs/dbraw/zinc/66/13/35/1058661335.db2.gz RWZXQOHVALFXAA-UHFFFAOYSA-N -1 3 390.361 3.534 20 0 GHADHM COCCN(CCc1ccccc1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001441090830 1058703316 /nfs/dbraw/zinc/70/33/16/1058703316.db2.gz VSTLNKPOKPMQLL-UHFFFAOYSA-N -1 3 384.863 3.513 20 0 GHADHM O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1n[n-]c(-c2ccco2)n1 ZINC001339005996 1058921720 /nfs/dbraw/zinc/92/17/20/1058921720.db2.gz OECZDJGBMIQOTC-UHFFFAOYSA-N -1 3 399.863 3.947 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccs1 ZINC001442644247 1058987674 /nfs/dbraw/zinc/98/76/74/1058987674.db2.gz AZBYQPSXGWYXFW-IBGZPJMESA-N -1 3 381.453 3.689 20 0 GHADHM COc1cccc([O-])c1C(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001443384137 1059116552 /nfs/dbraw/zinc/11/65/52/1059116552.db2.gz FCZHFHABSZSMQI-UHFFFAOYSA-N -1 3 380.448 3.515 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC(c3ccncc3)CC2)s1 ZINC001339411703 1059186936 /nfs/dbraw/zinc/18/69/36/1059186936.db2.gz ZQRNMEWBECLGAI-UHFFFAOYSA-N -1 3 388.493 3.905 20 0 GHADHM COc1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c([O-])c1 ZINC001443876360 1059221694 /nfs/dbraw/zinc/22/16/94/1059221694.db2.gz CWPYYHNICYEANV-HNNXBMFYSA-N -1 3 392.858 3.588 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@]2(CCSC2)C1 ZINC001339478623 1059243910 /nfs/dbraw/zinc/24/39/10/1059243910.db2.gz ZSUIQJVDRHIZBE-IBGZPJMESA-N -1 3 392.956 3.683 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)c([O-])c1 ZINC001444130309 1059267446 /nfs/dbraw/zinc/26/74/46/1059267446.db2.gz IFBTYKCQVUUHJO-HNNXBMFYSA-N -1 3 382.357 3.554 20 0 GHADHM O=C(NCc1cnc(-c2ccccc2)s1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001445180214 1059473927 /nfs/dbraw/zinc/47/39/27/1059473927.db2.gz YPWWKCYJOOUHEU-UHFFFAOYSA-N -1 3 397.406 3.860 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N(Cc1cccc(O)c1)CC1CC1 ZINC001445650145 1059587390 /nfs/dbraw/zinc/58/73/90/1059587390.db2.gz BYIMLBSARFAPPL-UHFFFAOYSA-N -1 3 382.847 3.940 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)[C@@H](O)c1ccccc1F ZINC001445791539 1059619035 /nfs/dbraw/zinc/61/90/35/1059619035.db2.gz AZNNSHPLODVKET-GJZGRUSLSA-N -1 3 386.801 3.903 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)Nc2cccc([O-])c2F)s1 ZINC001446238526 1059732827 /nfs/dbraw/zinc/73/28/27/1059732827.db2.gz IIWUCRFWMMEADD-UHFFFAOYSA-N -1 3 381.429 3.906 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001340205604 1059762887 /nfs/dbraw/zinc/76/28/87/1059762887.db2.gz QVAASJFPFXEQDB-UHFFFAOYSA-N -1 3 393.484 3.816 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ncsc3Nc3ccccc3)nc21 ZINC001446634157 1059822935 /nfs/dbraw/zinc/82/29/35/1059822935.db2.gz IIMIMKVJMLXCDZ-UHFFFAOYSA-N -1 3 393.428 3.802 20 0 GHADHM O=C(CCC(=O)Nc1c(F)cccc1F)Nc1cc(Br)ccc1[O-] ZINC001447279687 1059943582 /nfs/dbraw/zinc/94/35/82/1059943582.db2.gz UJTBKSHOFANNHF-UHFFFAOYSA-N -1 3 399.191 3.790 20 0 GHADHM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC001447484639 1059970791 /nfs/dbraw/zinc/97/07/91/1059970791.db2.gz JXHVKYKDRQLNKY-UHFFFAOYSA-N -1 3 392.846 3.956 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)[C@@H]2C ZINC001447561740 1059982443 /nfs/dbraw/zinc/98/24/43/1059982443.db2.gz UMPRFNLJBHRWDD-VXGBXAGGSA-N -1 3 398.409 3.963 20 0 GHADHM Cc1ccc(C[C@@H](CO)NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001447731064 1060013018 /nfs/dbraw/zinc/01/30/18/1060013018.db2.gz TYLZURHDOLCQBF-QFIPXVFZSA-N -1 3 389.495 3.819 20 0 GHADHM O=C([C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC001447939559 1060066213 /nfs/dbraw/zinc/06/62/13/1060066213.db2.gz XUTNQSUDBLIUIR-IBGZPJMESA-N -1 3 379.847 3.552 20 0 GHADHM COc1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1F ZINC001448120407 1060113128 /nfs/dbraw/zinc/11/31/28/1060113128.db2.gz JBBAXQGXPFHVDL-UHFFFAOYSA-N -1 3 391.196 3.691 20 0 GHADHM CO[C@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])Cc1ccccc1 ZINC001449898576 1060479911 /nfs/dbraw/zinc/47/99/11/1060479911.db2.gz WEBCDZDUGRJVHW-NRFANRHFSA-N -1 3 375.468 3.971 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC001450229979 1060556970 /nfs/dbraw/zinc/55/69/70/1060556970.db2.gz LAFQIMSOJAXRPG-UHFFFAOYSA-N -1 3 387.237 3.511 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001450264812 1060565856 /nfs/dbraw/zinc/56/58/56/1060565856.db2.gz YACOSTCYBZIBCV-GFCCVEGCSA-N -1 3 379.243 3.686 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C(Cc1ccccc1)Cc1ccccc1 ZINC001450915254 1060715875 /nfs/dbraw/zinc/71/58/75/1060715875.db2.gz DTXOMLZCKOZLOT-UHFFFAOYSA-N -1 3 397.482 3.831 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C(Cc1ccccc1)Cc1ccccc1 ZINC001450915254 1060715890 /nfs/dbraw/zinc/71/58/90/1060715890.db2.gz DTXOMLZCKOZLOT-UHFFFAOYSA-N -1 3 397.482 3.831 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001452101643 1060901066 /nfs/dbraw/zinc/90/10/66/1060901066.db2.gz PLCBSWGMPZZMCF-UHFFFAOYSA-N -1 3 395.463 3.926 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001452101643 1060901069 /nfs/dbraw/zinc/90/10/69/1060901069.db2.gz PLCBSWGMPZZMCF-UHFFFAOYSA-N -1 3 395.463 3.926 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(F)cc2Cl)[n-]n1 ZINC001452110195 1060902353 /nfs/dbraw/zinc/90/23/53/1060902353.db2.gz LMRABOKWPSNJIS-UHFFFAOYSA-N -1 3 383.807 3.565 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(F)cc2Cl)n[n-]1 ZINC001452110195 1060902355 /nfs/dbraw/zinc/90/23/55/1060902355.db2.gz LMRABOKWPSNJIS-UHFFFAOYSA-N -1 3 383.807 3.565 20 0 GHADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]1 ZINC001452328565 1060924548 /nfs/dbraw/zinc/92/45/48/1060924548.db2.gz BVDQXLVVNPEMSR-PSASIEDQSA-N -1 3 392.337 3.526 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Nc3ccccc3)cn2)c([O-])c1 ZINC001453767917 1061202388 /nfs/dbraw/zinc/20/23/88/1061202388.db2.gz INOIBLMSFZXYEK-UHFFFAOYSA-N -1 3 390.443 3.598 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001345948394 1061233350 /nfs/dbraw/zinc/23/33/50/1061233350.db2.gz LKDUDJJHUMHNFN-CYBMUJFWSA-N -1 3 398.536 3.731 20 0 GHADHM Cc1nc(-c2nnc(N(C)c3ccc(OC(C)C)cc3)n2CC2CC2)cc(=O)[n-]1 ZINC001346103867 1061364408 /nfs/dbraw/zinc/36/44/08/1061364408.db2.gz ZVKBRMJOVDEGDE-UHFFFAOYSA-N -1 3 394.479 3.714 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001346286547 1061497877 /nfs/dbraw/zinc/49/78/77/1061497877.db2.gz BADRYFSBJXPCDZ-AUSIDOKSSA-N -1 3 386.536 3.829 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001454733246 1061927174 /nfs/dbraw/zinc/92/71/74/1061927174.db2.gz OXXBUYNBDDILGI-OAHLLOKOSA-N -1 3 394.487 3.616 20 0 GHADHM Cc1cccc2cc(C(=O)NCc3c(F)cccc3[N-]S(C)(=O)=O)sc21 ZINC001346912918 1061979169 /nfs/dbraw/zinc/97/91/69/1061979169.db2.gz OBCMJWTZOMCLTL-UHFFFAOYSA-N -1 3 392.477 3.650 20 0 GHADHM CN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1c1ccc(F)cc1 ZINC001545813681 1062016561 /nfs/dbraw/zinc/01/65/61/1062016561.db2.gz MBQYZGANKQLUPF-RDJZCZTQSA-N -1 3 382.357 3.725 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001347082249 1062096850 /nfs/dbraw/zinc/09/68/50/1062096850.db2.gz SZNUASXWHWYTFN-OLZOCXBDSA-N -1 3 382.798 3.895 20 0 GHADHM CC1(C)CCc2onc(CNC(=O)c3cc([O-])cc(Br)c3)c2C1 ZINC001455407530 1062131031 /nfs/dbraw/zinc/13/10/31/1062131031.db2.gz SHIRJGJXHLLXGP-UHFFFAOYSA-N -1 3 379.254 3.588 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001456476031 1062704300 /nfs/dbraw/zinc/70/43/00/1062704300.db2.gz IITKZBDXUUCNHQ-ZHRRBRCNSA-N -1 3 388.508 3.864 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CCc3ccc(C(C)(C)C)cc3)CC2)n1 ZINC001347893503 1062758965 /nfs/dbraw/zinc/75/89/65/1062758965.db2.gz SJASPJTYSHOVLG-UHFFFAOYSA-N -1 3 396.535 3.506 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1sccc1-n1cccc1 ZINC001456802384 1062868129 /nfs/dbraw/zinc/86/81/29/1062868129.db2.gz RMVGDRSFYRWKRR-UHFFFAOYSA-N -1 3 392.440 3.871 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1sccc1-n1cccc1 ZINC001456802384 1062868151 /nfs/dbraw/zinc/86/81/51/1062868151.db2.gz RMVGDRSFYRWKRR-UHFFFAOYSA-N -1 3 392.440 3.871 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001456941025 1062925897 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ZINC001463378453 1064297188 /nfs/dbraw/zinc/29/71/88/1064297188.db2.gz SVVHXNKTPFWFTJ-UHFFFAOYSA-N -1 3 377.516 3.623 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001463404172 1064319014 /nfs/dbraw/zinc/31/90/14/1064319014.db2.gz NUMCXNJWVZWBIE-NEPJUHHUSA-N -1 3 388.942 3.822 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC001463606696 1064495205 /nfs/dbraw/zinc/49/52/05/1064495205.db2.gz FBMFVUFCAZGLOA-NEPJUHHUSA-N -1 3 390.299 3.793 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c(C)c1F ZINC001463656655 1064531627 /nfs/dbraw/zinc/53/16/27/1064531627.db2.gz IZJASXAZBZOCGJ-OAHLLOKOSA-N -1 3 395.349 3.864 20 0 GHADHM CC(C)([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001463693167 1064553692 /nfs/dbraw/zinc/55/36/92/1064553692.db2.gz PKCWGMMNUOASAI-QHCPKHFHSA-N -1 3 392.974 3.840 20 0 GHADHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001463725738 1064573532 /nfs/dbraw/zinc/57/35/32/1064573532.db2.gz 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CC(=O)N(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC001464091080 1064815487 /nfs/dbraw/zinc/81/54/87/1064815487.db2.gz BVBGLPFBIHTXDF-UHFFFAOYSA-N -1 3 393.317 3.516 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC)C1CC1 ZINC001464090782 1064815737 /nfs/dbraw/zinc/81/57/37/1064815737.db2.gz LVWBJGSEIBMPFH-LLVKDONJSA-N -1 3 382.707 3.578 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])nc1 ZINC001464135768 1064849736 /nfs/dbraw/zinc/84/97/36/1064849736.db2.gz JSPDFPVELICBNY-UHFFFAOYSA-N -1 3 393.237 3.757 20 0 GHADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)OC)c1 ZINC001464137973 1064851048 /nfs/dbraw/zinc/85/10/48/1064851048.db2.gz WEMIYENWZWOWQL-CQSZACIVSA-N -1 3 390.288 3.668 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)c1 ZINC001464181805 1064892713 /nfs/dbraw/zinc/89/27/13/1064892713.db2.gz YCDWOPZJHUYCHG-HNNXBMFYSA-N -1 3 397.855 3.540 20 0 GHADHM O=C(NCCCCOCCc1ccccc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464310783 1064951215 /nfs/dbraw/zinc/95/12/15/1064951215.db2.gz IYSQHYOJXWVKHS-UHFFFAOYSA-N -1 3 398.890 3.951 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2cccnc2)C2CCCC2)c(F)c1F ZINC001464344951 1064964250 /nfs/dbraw/zinc/96/42/50/1064964250.db2.gz JJMQJSLSRWBJSH-MRXNPFEDSA-N -1 3 380.460 3.748 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC[C@@H]1C=CCC1 ZINC001464416128 1064996094 /nfs/dbraw/zinc/99/60/94/1064996094.db2.gz QUUGIFXLKUNRSE-CYBMUJFWSA-N -1 3 379.503 3.713 20 0 GHADHM O=C(Nc1ncn(Cc2ccccc2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001464447216 1065014849 /nfs/dbraw/zinc/01/48/49/1065014849.db2.gz CZHDNZCNTWECOX-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464562726 1065083641 /nfs/dbraw/zinc/08/36/41/1065083641.db2.gz RCXMPSMKXPQHJR-CYBMUJFWSA-N -1 3 380.366 3.551 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC2(CC2)C1 ZINC001464648972 1065136521 /nfs/dbraw/zinc/13/65/21/1065136521.db2.gz DRIUMWWVUFZANZ-NSHDSACASA-N -1 3 392.290 3.598 20 0 GHADHM CN(C(=O)c1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000847367121 1065143163 /nfs/dbraw/zinc/14/31/63/1065143163.db2.gz YRZJZOHOJOPATC-UHFFFAOYSA-N -1 3 394.475 3.717 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCO2)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001464693339 1065159881 /nfs/dbraw/zinc/15/98/81/1065159881.db2.gz HZNDKJBVGPAQNQ-UHFFFAOYSA-N -1 3 376.412 3.949 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(-c3ncon3)cc2)s1 ZINC001464709063 1065168816 /nfs/dbraw/zinc/16/88/16/1065168816.db2.gz UBQXOGZGDWSKGQ-UHFFFAOYSA-N -1 3 387.421 3.792 20 0 GHADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCS1 ZINC001464720353 1065174546 /nfs/dbraw/zinc/17/45/46/1065174546.db2.gz KWDLVLXZYQADNF-RKDXNWHRSA-N -1 3 384.748 3.665 20 0 GHADHM COc1cccc2c1CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C2 ZINC001464806380 1065222664 /nfs/dbraw/zinc/22/26/64/1065222664.db2.gz NBLMGRHBWPFARU-CQSZACIVSA-N -1 3 381.444 3.508 20 0 GHADHM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847411491 1065244249 /nfs/dbraw/zinc/24/42/49/1065244249.db2.gz CUEJANISRVGZPY-UHFFFAOYSA-N -1 3 392.484 3.936 20 0 GHADHM Cc1ccc(NC(=S)Nc2cc(=O)[n-]c(C3CC3)n2)c(Br)c1 ZINC001200141430 1065337979 /nfs/dbraw/zinc/33/79/79/1065337979.db2.gz SSLVFXTVNACXFZ-UHFFFAOYSA-N -1 3 379.283 3.939 20 0 GHADHM CCc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)o1 ZINC001465281873 1065522655 /nfs/dbraw/zinc/52/26/55/1065522655.db2.gz IZIGWAAAOQZUIH-INIZCTEOSA-N -1 3 386.835 3.551 20 0 GHADHM Cc1nocc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001300167743 1065538136 /nfs/dbraw/zinc/53/81/36/1065538136.db2.gz ZIKWZNUONNMVOS-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM C/C(=C/c1ccco1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000847571129 1065637654 /nfs/dbraw/zinc/63/76/54/1065637654.db2.gz ZYANNVVYPKWUBS-QBFSEMIESA-N -1 3 388.851 3.919 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001465650501 1065770279 /nfs/dbraw/zinc/77/02/79/1065770279.db2.gz MAIAFKINUVIOCC-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001465724482 1065811731 /nfs/dbraw/zinc/81/17/31/1065811731.db2.gz HPMKGFNYQINKGL-SSDOTTSWSA-N -1 3 381.280 3.811 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cncc(N3CCCC3)n2)s1)c1ccccc1 ZINC001353300942 1065850083 /nfs/dbraw/zinc/85/00/83/1065850083.db2.gz WDHLOBPKKAZSEG-HNNXBMFYSA-N -1 3 394.504 3.723 20 0 GHADHM COc1ccc(F)c(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC001465794512 1065860903 /nfs/dbraw/zinc/86/09/03/1065860903.db2.gz JZVOVHLDFMBIQR-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCCC(=O)c2ccc(OC)cc2)c([O-])c1 ZINC001466542236 1066185027 /nfs/dbraw/zinc/18/50/27/1066185027.db2.gz QLPZSUXIAWCZOR-UHFFFAOYSA-N -1 3 399.443 3.959 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2c(F)ccnc2F)nc1-c1ccccc1 ZINC001353781645 1066248660 /nfs/dbraw/zinc/24/86/60/1066248660.db2.gz FXHGMBCDEQDJGV-UHFFFAOYSA-N -1 3 389.383 3.912 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1cccc(Cl)c1)C(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001467197122 1067143189 /nfs/dbraw/zinc/14/31/89/1067143189.db2.gz BEZBVIUTPBLXGV-HZGVNTEJSA-N -1 3 397.735 3.844 20 0 GHADHM Cc1nc(NC([O-])=NO[C@H](CO)C2CCCC2)sc1Cc1ccccc1 ZINC001467248986 1067178104 /nfs/dbraw/zinc/17/81/04/1067178104.db2.gz ZHWFQBQAHZQRCU-MRXNPFEDSA-N -1 3 375.494 3.647 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C2CCCC2)sc1Cc1ccccc1 ZINC001467248986 1067178106 /nfs/dbraw/zinc/17/81/06/1067178106.db2.gz ZHWFQBQAHZQRCU-MRXNPFEDSA-N -1 3 375.494 3.647 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](C)c2ccc(Br)cn2)c1 ZINC001467661380 1067404873 /nfs/dbraw/zinc/40/48/73/1067404873.db2.gz MQHYQZZVQBINJB-SNVBAGLBSA-N -1 3 385.208 3.822 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874349 1067510764 /nfs/dbraw/zinc/51/07/64/1067510764.db2.gz OZTJDRQOYHHACM-JKSUJKDBSA-N -1 3 399.491 3.749 20 0 GHADHM O=C(CSc1ccccc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468311472 1067679399 /nfs/dbraw/zinc/67/93/99/1067679399.db2.gz RRQBGTYYAIVEHA-UHFFFAOYSA-N -1 3 378.251 3.762 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc2cccnc21 ZINC001468498553 1067752452 /nfs/dbraw/zinc/75/24/52/1067752452.db2.gz PPWXSDFTBQTJSH-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1(F)F ZINC000849461725 1067851712 /nfs/dbraw/zinc/85/17/12/1067851712.db2.gz YMALKLBWJRCEST-CQSZACIVSA-N -1 3 378.803 3.741 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@]1(C)CCCC[C@@H]1C ZINC001468742345 1067856290 /nfs/dbraw/zinc/85/62/90/1067856290.db2.gz WORACEFHBVVBHS-XMHCIUCPSA-N -1 3 395.459 3.691 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001468756462 1067862360 /nfs/dbraw/zinc/86/23/60/1067862360.db2.gz HQWJNOMAKZCFMX-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001468756462 1067862367 /nfs/dbraw/zinc/86/23/67/1067862367.db2.gz HQWJNOMAKZCFMX-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM CO[C@@H](COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC1 ZINC000849689244 1067938411 /nfs/dbraw/zinc/93/84/11/1067938411.db2.gz RLASVXASHWUFOQ-SFTDATJTSA-N -1 3 397.471 3.612 20 0 GHADHM O=C(NC[C@H](CO)c1ccc(F)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001469012498 1067952017 /nfs/dbraw/zinc/95/20/17/1067952017.db2.gz LGOWCBFVEZHSQO-HXUWFJFHSA-N -1 3 393.458 3.822 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)[n-]n1 ZINC001469323129 1068102093 /nfs/dbraw/zinc/10/20/93/1068102093.db2.gz IANFUJRWXPNTLS-UHFFFAOYSA-N -1 3 386.452 3.602 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)n[n-]1 ZINC001469323129 1068102095 /nfs/dbraw/zinc/10/20/95/1068102095.db2.gz IANFUJRWXPNTLS-UHFFFAOYSA-N -1 3 386.452 3.602 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001469323913 1068102847 /nfs/dbraw/zinc/10/28/47/1068102847.db2.gz PJKXIMBPGZLBSE-NSHDSACASA-N -1 3 379.844 3.733 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001469323913 1068102856 /nfs/dbraw/zinc/10/28/56/1068102856.db2.gz PJKXIMBPGZLBSE-NSHDSACASA-N -1 3 379.844 3.733 20 0 GHADHM Cc1sc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1-c1ccc(F)cc1 ZINC001469719468 1068335482 /nfs/dbraw/zinc/33/54/82/1068335482.db2.gz JGXDGQMBXXPHTR-UHFFFAOYSA-N -1 3 375.450 3.577 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(-c2cccc3cccnc32)cc1 ZINC001469719531 1068336493 /nfs/dbraw/zinc/33/64/93/1068336493.db2.gz KFQHBZNFQWUPKC-UHFFFAOYSA-N -1 3 388.452 3.616 20 0 GHADHM O=C(NCCCC1CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001470217654 1068630497 /nfs/dbraw/zinc/63/04/97/1068630497.db2.gz JCUCTVPORQPDJC-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2nc(C)n(-c3ccccc3)n2)cs1 ZINC001460271707 1068899245 /nfs/dbraw/zinc/89/92/45/1068899245.db2.gz ASJRZGDSIIOGBN-UHFFFAOYSA-N -1 3 391.456 3.960 20 0 GHADHM O=c1cc(CN2CCC[C@H]2[C@H](O)c2ccccc2)c2cc(Cl)c([O-])cc2o1 ZINC001460603559 1069021696 /nfs/dbraw/zinc/02/16/96/1069021696.db2.gz DECYKFXLFRNSJA-LAUBAEHRSA-N -1 3 385.847 3.850 20 0 GHADHM Cc1c(Cl)cccc1N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC001460916966 1069272167 /nfs/dbraw/zinc/27/21/67/1069272167.db2.gz VSNPFQHNGZDQMD-UHFFFAOYSA-N -1 3 384.863 3.783 20 0 GHADHM CCC[C@H](NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C1CCCC1 ZINC001470478609 1072579706 /nfs/dbraw/zinc/57/97/06/1072579706.db2.gz GEMUUXREOLXKDM-QEJZJMRPSA-N -1 3 377.451 3.586 20 0 GHADHM O=C(Nc1cccc2nsnc21)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001470653451 1072671755 /nfs/dbraw/zinc/67/17/55/1072671755.db2.gz PHFQOGNHVHGMBP-UHFFFAOYSA-N -1 3 378.413 3.629 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@](C)(Cc2ccccc2)C(C)C)c([O-])c1 ZINC001471141814 1072939391 /nfs/dbraw/zinc/93/93/91/1072939391.db2.gz HQADZDHEBLMNNX-HSZRJFAPSA-N -1 3 382.504 3.594 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001471230928 1072975981 /nfs/dbraw/zinc/97/59/81/1072975981.db2.gz TZDFQELTAFDHNS-LBPRGKRZSA-N -1 3 382.888 3.811 20 0 GHADHM CCOc1nnc(NC(=O)C2(c3cccc(Br)c3)CCCCC2)[n-]1 ZINC001471299625 1073005515 /nfs/dbraw/zinc/00/55/15/1073005515.db2.gz BPEIUOLRMROUQW-UHFFFAOYSA-N -1 3 393.285 3.807 20 0 GHADHM CCOc1nc(NC(=O)C2(c3cccc(Br)c3)CCCCC2)n[n-]1 ZINC001471299625 1073005522 /nfs/dbraw/zinc/00/55/22/1073005522.db2.gz BPEIUOLRMROUQW-UHFFFAOYSA-N -1 3 393.285 3.807 20 0 GHADHM CCOc1n[n-]c(NC(=O)C2(c3cccc(Br)c3)CCCCC2)n1 ZINC001471299625 1073005526 /nfs/dbraw/zinc/00/55/26/1073005526.db2.gz BPEIUOLRMROUQW-UHFFFAOYSA-N -1 3 393.285 3.807 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)c1ccccc1 ZINC001471453327 1073081928 /nfs/dbraw/zinc/08/19/28/1073081928.db2.gz MSZRWPXHSNTLCD-CYBMUJFWSA-N -1 3 397.219 3.714 20 0 GHADHM COC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001471681188 1073176392 /nfs/dbraw/zinc/17/63/92/1073176392.db2.gz OYYBTKNYEJWOAU-INIZCTEOSA-N -1 3 383.444 3.990 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c1 ZINC001471957155 1073280998 /nfs/dbraw/zinc/28/09/98/1073280998.db2.gz NBHDWPSBWGGBMV-UHFFFAOYSA-N -1 3 378.350 3.658 20 0 GHADHM C[C@@H](NC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109001 1073336543 /nfs/dbraw/zinc/33/65/43/1073336543.db2.gz DVUBSZDRAIOZFD-BXUZGUMPSA-N -1 3 398.429 3.812 20 0 GHADHM CC(F)(F)CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001472130601 1073339989 /nfs/dbraw/zinc/33/99/89/1073339989.db2.gz UBQPDVVVDNNSJH-UHFFFAOYSA-N -1 3 376.403 3.598 20 0 GHADHM COC(=O)c1cc(NC(=O)CCc2c[nH]c3cc(C)ccc23)c([O-])c(OC)c1 ZINC001472228489 1073376262 /nfs/dbraw/zinc/37/62/62/1073376262.db2.gz PHSSHGQQYAXUEW-UHFFFAOYSA-N -1 3 382.416 3.548 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2F)c1 ZINC001472277274 1073394889 /nfs/dbraw/zinc/39/48/89/1073394889.db2.gz IQHRDHBIKKWGHE-KRWDZBQOSA-N -1 3 389.427 3.645 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)Cc2ccncc2)c1 ZINC001472343572 1073436615 /nfs/dbraw/zinc/43/66/15/1073436615.db2.gz UDXHJGBHPGSFIS-UHFFFAOYSA-N -1 3 393.468 3.816 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc4c(c3)[C@H](C)CC(=O)N4C)c[n-]c12 ZINC001472607466 1073571708 /nfs/dbraw/zinc/57/17/08/1073571708.db2.gz PDLLKTUEUQNLPW-CYBMUJFWSA-N -1 3 375.428 3.559 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC001472981162 1073741401 /nfs/dbraw/zinc/74/14/01/1073741401.db2.gz QOEQZMSOVCFDTJ-UHFFFAOYSA-N -1 3 389.864 3.814 20 0 GHADHM CCOC(=O)CCc1c(C)nc(SCc2c(C)cc(C)nc2C)[n-]c1=O ZINC001473079770 1073772857 /nfs/dbraw/zinc/77/28/57/1073772857.db2.gz OUVQDMZQADREKJ-UHFFFAOYSA-N -1 3 375.494 3.599 20 0 GHADHM Cc1noc(C[C@H](NCc2cc(=O)[n-]c(-c3ccccc3)n2)c2ccccc2)n1 ZINC001473377831 1073940420 /nfs/dbraw/zinc/94/04/20/1073940420.db2.gz KQSFKOCFTPBURO-IBGZPJMESA-N -1 3 387.443 3.614 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)n1 ZINC001473681273 1074082401 /nfs/dbraw/zinc/08/24/01/1074082401.db2.gz IUMWGWJCIGJFTG-OAHLLOKOSA-N -1 3 395.482 3.961 20 0 GHADHM O=S(=O)([N-]CCNCc1cccc(Cl)c1Cl)c1ccc(Cl)s1 ZINC001474079620 1074256836 /nfs/dbraw/zinc/25/68/36/1074256836.db2.gz CCTJHMOSROOEBZ-UHFFFAOYSA-N -1 3 399.752 3.776 20 0 GHADHM COc1cccc(-c2csc(CN[C@H](C)c3nc(C(F)(F)F)n[n-]3)n2)c1 ZINC001474724235 1074535155 /nfs/dbraw/zinc/53/51/55/1074535155.db2.gz PESYFYQHZLXBSC-SECBINFHSA-N -1 3 383.399 3.806 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c(F)c1F ZINC001474871370 1074603914 /nfs/dbraw/zinc/60/39/14/1074603914.db2.gz QSDYAVNONSXCIL-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001474900700 1074621707 /nfs/dbraw/zinc/62/17/07/1074621707.db2.gz WSWIWIIFAWTKTD-FRRDWIJNSA-N -1 3 385.917 3.863 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@H](O)c1ccccc1F ZINC001475027329 1074693793 /nfs/dbraw/zinc/69/37/93/1074693793.db2.gz JXWHJWYHNFANGW-TZMCWYRMSA-N -1 3 377.890 3.640 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCCC2 ZINC001475029670 1074694599 /nfs/dbraw/zinc/69/45/99/1074694599.db2.gz XQBLXSGHHPMBKW-HUUCEWRRSA-N -1 3 375.893 3.885 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)sc1Br ZINC001475089391 1074732828 /nfs/dbraw/zinc/73/28/28/1074732828.db2.gz PZGAJVHBZGVRAP-GUTXKFCHSA-N -1 3 398.347 3.683 20 0 GHADHM CC[C@@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001475098235 1074736211 /nfs/dbraw/zinc/73/62/11/1074736211.db2.gz FDRVYUDQFNQORC-GFCCVEGCSA-N -1 3 386.876 3.838 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCCC1 ZINC001475107666 1074739691 /nfs/dbraw/zinc/73/96/91/1074739691.db2.gz IWWHSLXCYZTRAW-UHFFFAOYSA-N -1 3 395.750 3.992 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC001475147705 1074757547 /nfs/dbraw/zinc/75/75/47/1074757547.db2.gz QDLBTQFEPAINJD-CQSZACIVSA-N -1 3 392.290 3.598 20 0 GHADHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC(C)(C)C(C)C ZINC001475177304 1074771141 /nfs/dbraw/zinc/77/11/41/1074771141.db2.gz ZMGCVBBUCPNHSX-MJGOQNOKSA-N -1 3 395.565 3.640 20 0 GHADHM Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3cccc(Cl)c3F)C2)cc1C ZINC001475230877 1074796571 /nfs/dbraw/zinc/79/65/71/1074796571.db2.gz IDKLUYXZCSGNNN-AWEZNQCLSA-N -1 3 396.871 3.567 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(F)cc1 ZINC001475238774 1074800113 /nfs/dbraw/zinc/80/01/13/1074800113.db2.gz XMBOXCRAFKNBKY-ZDUSSCGKSA-N -1 3 376.247 3.857 20 0 GHADHM CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC001475362191 1074849227 /nfs/dbraw/zinc/84/92/27/1074849227.db2.gz HAUAPGZVPWERAS-GOSISDBHSA-N -1 3 396.503 3.745 20 0 GHADHM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001475390819 1074858922 /nfs/dbraw/zinc/85/89/22/1074858922.db2.gz BUAJEKDMSFLGHW-HOCLYGCPSA-N -1 3 385.501 3.887 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2CC(C)(C)CC(C)(C)C2)c1 ZINC001475476165 1074888774 /nfs/dbraw/zinc/88/87/74/1074888774.db2.gz XVHQVSAZBBIHIS-UHFFFAOYSA-N -1 3 385.501 3.743 20 0 GHADHM O=S(=O)([N-]CCn1cncc1-c1ccccc1)c1cccc(Cl)c1Cl ZINC001475540019 1074908446 /nfs/dbraw/zinc/90/84/46/1074908446.db2.gz NOKMJYXVAVJJIG-UHFFFAOYSA-N -1 3 396.299 3.835 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@@]12C[C@@H]1CCCC2 ZINC001475576061 1074918339 /nfs/dbraw/zinc/91/83/39/1074918339.db2.gz XTCPFMMQCOHNKA-ZIBATOQPSA-N -1 3 376.291 3.835 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCN1Cc1ccccc1)c1cccc(Cl)c1F ZINC001475595022 1074922951 /nfs/dbraw/zinc/92/29/51/1074922951.db2.gz NIQGIZUOLLJHAW-INIZCTEOSA-N -1 3 396.915 3.812 20 0 GHADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1F ZINC001475649695 1074992982 /nfs/dbraw/zinc/99/29/82/1074992982.db2.gz RCGJCBXHKUMDDA-UHFFFAOYSA-N -1 3 398.381 3.892 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC001475787044 1075022149 /nfs/dbraw/zinc/02/21/49/1075022149.db2.gz LUVFJQNNTVVQBT-ROUUACIJSA-N -1 3 384.526 3.967 20 0 GHADHM C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001604191855 1126228030 /nfs/dbraw/zinc/22/80/30/1126228030.db2.gz RHKDXLBTOHNBCQ-QFIPXVFZSA-N -1 3 383.419 3.867 20 0 GHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OCC ZINC000016094335 210185719 /nfs/dbraw/zinc/18/57/19/210185719.db2.gz QBHZOAHBFBQSJB-UHFFFAOYSA-N -1 3 389.926 3.720 20 0 GHADHM CC(C)c1cnc(S[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1C(C)C ZINC000736192382 598824672 /nfs/dbraw/zinc/82/46/72/598824672.db2.gz MABDZXVKDUYAGK-ZDUSSCGKSA-N -1 3 399.524 3.887 20 0 GHADHM CC(C)c1cnc(S[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1C(C)C ZINC000736192382 598824673 /nfs/dbraw/zinc/82/46/73/598824673.db2.gz MABDZXVKDUYAGK-ZDUSSCGKSA-N -1 3 399.524 3.887 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735735620 598825136 /nfs/dbraw/zinc/82/51/36/598825136.db2.gz OJNZVKFBEDKOCC-IBGZPJMESA-N -1 3 398.898 3.788 20 0 GHADHM Cc1nnc(N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nnn[n-]2)c1C ZINC000737521664 598829315 /nfs/dbraw/zinc/82/93/15/598829315.db2.gz QGXDHDKZKFZQAY-GFCCVEGCSA-N -1 3 376.251 3.680 20 0 GHADHM Cc1nnc(N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nn[n-]n2)c1C ZINC000737521664 598829317 /nfs/dbraw/zinc/82/93/17/598829317.db2.gz QGXDHDKZKFZQAY-GFCCVEGCSA-N -1 3 376.251 3.680 20 0 GHADHM Cc1cc(NCC2CCSCC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273442 598829427 /nfs/dbraw/zinc/82/94/27/598829427.db2.gz CXAIVCMZCQGPKB-UHFFFAOYSA-N -1 3 379.493 3.531 20 0 GHADHM Cc1cc(NCC2CCSCC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273442 598829429 /nfs/dbraw/zinc/82/94/29/598829429.db2.gz CXAIVCMZCQGPKB-UHFFFAOYSA-N -1 3 379.493 3.531 20 0 GHADHM CS[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000737173717 598829667 /nfs/dbraw/zinc/82/96/67/598829667.db2.gz ZYZYXBADMZUKNH-OAHLLOKOSA-N -1 3 385.518 3.850 20 0 GHADHM CS[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000737173717 598829669 /nfs/dbraw/zinc/82/96/69/598829669.db2.gz ZYZYXBADMZUKNH-OAHLLOKOSA-N -1 3 385.518 3.850 20 0 GHADHM Cc1sc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c(-c2nnn[n-]2)c1C ZINC000737565638 598829991 /nfs/dbraw/zinc/82/99/91/598829991.db2.gz VJSJMJXJEHNDOB-UHFFFAOYSA-N -1 3 386.868 3.861 20 0 GHADHM Cc1sc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c(-c2nn[n-]n2)c1C ZINC000737565638 598829993 /nfs/dbraw/zinc/82/99/93/598829993.db2.gz VJSJMJXJEHNDOB-UHFFFAOYSA-N -1 3 386.868 3.861 20 0 GHADHM Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1OCCC(C)C ZINC000737357041 598838935 /nfs/dbraw/zinc/83/89/35/598838935.db2.gz MIJBDZYCQBNHGS-UHFFFAOYSA-N -1 3 395.463 3.618 20 0 GHADHM O=C(CC[C@H]1CCCCO1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737824622 598836081 /nfs/dbraw/zinc/83/60/81/598836081.db2.gz RWOKLJDWZOYKDF-MRXNPFEDSA-N -1 3 397.504 3.561 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1nc(C(F)(F)F)cs1 ZINC000826373585 607785200 /nfs/dbraw/zinc/78/52/00/607785200.db2.gz RMFUTIPAAKRKLC-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1nc(C(F)(F)F)cs1 ZINC000826373585 607785201 /nfs/dbraw/zinc/78/52/01/607785201.db2.gz RMFUTIPAAKRKLC-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000738152699 598851281 /nfs/dbraw/zinc/85/12/81/598851281.db2.gz XZXBQMFIRIATPQ-OAHLLOKOSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000738152699 598851283 /nfs/dbraw/zinc/85/12/83/598851283.db2.gz XZXBQMFIRIATPQ-OAHLLOKOSA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155033 598855040 /nfs/dbraw/zinc/85/50/40/598855040.db2.gz FZESQOCODLKBKH-LBPRGKRZSA-N -1 3 393.378 3.508 20 0 GHADHM C[C@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155033 598855041 /nfs/dbraw/zinc/85/50/41/598855041.db2.gz FZESQOCODLKBKH-LBPRGKRZSA-N -1 3 393.378 3.508 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(Cl)c1Cl ZINC000736040590 598881596 /nfs/dbraw/zinc/88/15/96/598881596.db2.gz QNNRDYLMTLTWJY-SNVBAGLBSA-N -1 3 393.230 3.798 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(Cl)c1Cl ZINC000736040590 598881598 /nfs/dbraw/zinc/88/15/98/598881598.db2.gz QNNRDYLMTLTWJY-SNVBAGLBSA-N -1 3 393.230 3.798 20 0 GHADHM O=C(NCc1ccccc1OCC1CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738124979 598904185 /nfs/dbraw/zinc/90/41/85/598904185.db2.gz YNKICENPYDLOKQ-UHFFFAOYSA-N -1 3 398.854 3.631 20 0 GHADHM O=C(NCc1ccccc1OCC1CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738124979 598904187 /nfs/dbraw/zinc/90/41/87/598904187.db2.gz YNKICENPYDLOKQ-UHFFFAOYSA-N -1 3 398.854 3.631 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736350383 598904442 /nfs/dbraw/zinc/90/44/42/598904442.db2.gz MWGSEPNTQBJTSG-IBGZPJMESA-N -1 3 399.539 3.838 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736350383 598904444 /nfs/dbraw/zinc/90/44/44/598904444.db2.gz MWGSEPNTQBJTSG-IBGZPJMESA-N -1 3 399.539 3.838 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000738117247 598905840 /nfs/dbraw/zinc/90/58/40/598905840.db2.gz PDGOQDLXDJKMBR-UHFFFAOYSA-N -1 3 393.838 3.633 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000738117247 598905842 /nfs/dbraw/zinc/90/58/42/598905842.db2.gz PDGOQDLXDJKMBR-UHFFFAOYSA-N -1 3 393.838 3.633 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735922706 598912214 /nfs/dbraw/zinc/91/22/14/598912214.db2.gz IIILSYGAESUTPJ-IAGOWNOFSA-N -1 3 379.439 3.896 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735922706 598912215 /nfs/dbraw/zinc/91/22/15/598912215.db2.gz IIILSYGAESUTPJ-IAGOWNOFSA-N -1 3 379.439 3.896 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736366110 598920074 /nfs/dbraw/zinc/92/00/74/598920074.db2.gz YHOMVNYWRRTDOS-LBPRGKRZSA-N -1 3 376.873 3.532 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736366110 598920076 /nfs/dbraw/zinc/92/00/76/598920076.db2.gz YHOMVNYWRRTDOS-LBPRGKRZSA-N -1 3 376.873 3.532 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C ZINC000736094951 598925961 /nfs/dbraw/zinc/92/59/61/598925961.db2.gz BOPTYUJMRNHLGE-HNNXBMFYSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C ZINC000736094951 598925963 /nfs/dbraw/zinc/92/59/63/598925963.db2.gz BOPTYUJMRNHLGE-HNNXBMFYSA-N -1 3 393.491 3.952 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736326767 598927581 /nfs/dbraw/zinc/92/75/81/598927581.db2.gz CRVZJRSXYSACNJ-LSDHHAIUSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736326767 598927582 /nfs/dbraw/zinc/92/75/82/598927582.db2.gz CRVZJRSXYSACNJ-LSDHHAIUSA-N -1 3 379.464 3.610 20 0 GHADHM Cc1cc(O)ccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737279773 598932564 /nfs/dbraw/zinc/93/25/64/598932564.db2.gz QINHZCINMDPRHJ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(C)cc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737254001 598939821 /nfs/dbraw/zinc/93/98/21/598939821.db2.gz VTTCBZBMORNKID-UHFFFAOYSA-N -1 3 386.912 3.666 20 0 GHADHM Cc1cc(C)cc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737254001 598939823 /nfs/dbraw/zinc/93/98/23/598939823.db2.gz VTTCBZBMORNKID-UHFFFAOYSA-N -1 3 386.912 3.666 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736203278 598944865 /nfs/dbraw/zinc/94/48/65/598944865.db2.gz MDSROHHFZSXMHF-INIZCTEOSA-N -1 3 391.475 3.635 20 0 GHADHM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736565143 598948306 /nfs/dbraw/zinc/94/83/06/598948306.db2.gz QOGVQYBBISRGPJ-UHFFFAOYSA-N -1 3 393.472 3.544 20 0 GHADHM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736565143 598948308 /nfs/dbraw/zinc/94/83/08/598948308.db2.gz QOGVQYBBISRGPJ-UHFFFAOYSA-N -1 3 393.472 3.544 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC000736096719 598986905 /nfs/dbraw/zinc/98/69/05/598986905.db2.gz NMWGPWIFOPQCNT-HNNXBMFYSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249137 598987977 /nfs/dbraw/zinc/98/79/77/598987977.db2.gz FFGGGTNSRGRNCI-BEFAXECRSA-N -1 3 391.475 3.754 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736789042 599001354 /nfs/dbraw/zinc/00/13/54/599001354.db2.gz SNQPHFKEMGSGIR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315110 599005741 /nfs/dbraw/zinc/00/57/41/599005741.db2.gz PHJUNMIEBAFXOM-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM c1ccc(-c2noc(-c3cccc(COc4ccc(-c5nn[n-]n5)cc4)c3)n2)nc1 ZINC000738427523 599011102 /nfs/dbraw/zinc/01/11/02/599011102.db2.gz XBAKZNRIIGOFHB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736226183 599013810 /nfs/dbraw/zinc/01/38/10/599013810.db2.gz GHAXHTBXDWPRHA-QWHCGFSZSA-N -1 3 382.493 3.535 20 0 GHADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000737194493 599026523 /nfs/dbraw/zinc/02/65/23/599026523.db2.gz MIQPLUPXQOMIPX-SSDOTTSWSA-N -1 3 397.229 3.748 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000736480496 599034570 /nfs/dbraw/zinc/03/45/70/599034570.db2.gz QGJMHOPFFRVLJA-UHFFFAOYSA-N -1 3 388.475 3.638 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000736480496 599034573 /nfs/dbraw/zinc/03/45/73/599034573.db2.gz QGJMHOPFFRVLJA-UHFFFAOYSA-N -1 3 388.475 3.638 20 0 GHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H](c2ccc(F)cc2)O1 ZINC000820769497 599039077 /nfs/dbraw/zinc/03/90/77/599039077.db2.gz USHPNKUNQJANOM-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H](c2ccc(F)cc2)O1 ZINC000820769497 599039080 /nfs/dbraw/zinc/03/90/80/599039080.db2.gz USHPNKUNQJANOM-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM Fc1ccc(C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737648997 599047306 /nfs/dbraw/zinc/04/73/06/599047306.db2.gz KTVBJQDVXUBJQM-CYBMUJFWSA-N -1 3 392.360 3.631 20 0 GHADHM Fc1ccc(C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737648997 599047308 /nfs/dbraw/zinc/04/73/08/599047308.db2.gz KTVBJQDVXUBJQM-CYBMUJFWSA-N -1 3 392.360 3.631 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCCOc3ccccc32)n1 ZINC000737633457 599052785 /nfs/dbraw/zinc/05/27/85/599052785.db2.gz SEQNMAZPUIADGN-LBPRGKRZSA-N -1 3 376.342 3.606 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCCOc3ccccc32)n1 ZINC000737633457 599052788 /nfs/dbraw/zinc/05/27/88/599052788.db2.gz SEQNMAZPUIADGN-LBPRGKRZSA-N -1 3 376.342 3.606 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821589553 599053097 /nfs/dbraw/zinc/05/30/97/599053097.db2.gz SPUIEKZLGKHQPJ-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821589553 599053100 /nfs/dbraw/zinc/05/31/00/599053100.db2.gz SPUIEKZLGKHQPJ-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736231930 599056992 /nfs/dbraw/zinc/05/69/92/599056992.db2.gz YQTOORWMIOYHOS-SFHVURJKSA-N -1 3 388.397 3.839 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736231930 599056995 /nfs/dbraw/zinc/05/69/95/599056995.db2.gz YQTOORWMIOYHOS-SFHVURJKSA-N -1 3 388.397 3.839 20 0 GHADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736648258 599063681 /nfs/dbraw/zinc/06/36/81/599063681.db2.gz YJTMUMMEZWVDNJ-LLVKDONJSA-N -1 3 387.440 3.524 20 0 GHADHM CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736648258 599063685 /nfs/dbraw/zinc/06/36/85/599063685.db2.gz YJTMUMMEZWVDNJ-LLVKDONJSA-N -1 3 387.440 3.524 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000736672116 599072921 /nfs/dbraw/zinc/07/29/21/599072921.db2.gz YUBZQXSAQYWWEG-YPMHNXCESA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000736672116 599072924 /nfs/dbraw/zinc/07/29/24/599072924.db2.gz YUBZQXSAQYWWEG-YPMHNXCESA-N -1 3 389.431 3.819 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736682900 599084078 /nfs/dbraw/zinc/08/40/78/599084078.db2.gz CBVIAZMJEJZGKG-KRWDZBQOSA-N -1 3 397.504 3.868 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736682900 599084081 /nfs/dbraw/zinc/08/40/81/599084081.db2.gz CBVIAZMJEJZGKG-KRWDZBQOSA-N -1 3 397.504 3.868 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689458 599084865 /nfs/dbraw/zinc/08/48/65/599084865.db2.gz WUWHRVCHMMIZHE-RDTXWAMCSA-N -1 3 395.463 3.543 20 0 GHADHM Cc1cc(NCC[C@H](O)c2ccccc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209319 599085802 /nfs/dbraw/zinc/08/58/02/599085802.db2.gz CTRNHHFIKWNTQR-SFHVURJKSA-N -1 3 399.458 3.512 20 0 GHADHM Cc1cc(NCC[C@H](O)c2ccccc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209319 599085805 /nfs/dbraw/zinc/08/58/05/599085805.db2.gz CTRNHHFIKWNTQR-SFHVURJKSA-N -1 3 399.458 3.512 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000737833496 599096060 /nfs/dbraw/zinc/09/60/60/599096060.db2.gz UJSZDFBANQPNMT-RBUKOAKNSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000737833496 599096063 /nfs/dbraw/zinc/09/60/63/599096063.db2.gz UJSZDFBANQPNMT-RBUKOAKNSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CSCc1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737935735 599102379 /nfs/dbraw/zinc/10/23/79/599102379.db2.gz FZVCJOJZIPTCAT-UHFFFAOYSA-N -1 3 399.907 3.881 20 0 GHADHM O=C(CSCc1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737935735 599102382 /nfs/dbraw/zinc/10/23/82/599102382.db2.gz FZVCJOJZIPTCAT-UHFFFAOYSA-N -1 3 399.907 3.881 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113016 599103267 /nfs/dbraw/zinc/10/32/67/599103267.db2.gz VZZJYSJDLWUDDM-ZRGWGRIASA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113016 599103269 /nfs/dbraw/zinc/10/32/69/599103269.db2.gz VZZJYSJDLWUDDM-ZRGWGRIASA-N -1 3 376.464 3.515 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737390719 599103748 /nfs/dbraw/zinc/10/37/48/599103748.db2.gz WENXRBHPPWACSK-OXQOHEQNSA-N -1 3 391.475 3.615 20 0 GHADHM O=C(c1cccc(CSc2ccccc2-c2nnn[n-]2)c1)N1CCCCC1 ZINC000738273433 599111117 /nfs/dbraw/zinc/11/11/17/599111117.db2.gz KBVRHMUSSQSUDR-UHFFFAOYSA-N -1 3 379.489 3.785 20 0 GHADHM O=C(c1cccc(CSc2ccccc2-c2nn[n-]n2)c1)N1CCCCC1 ZINC000738273433 599111119 /nfs/dbraw/zinc/11/11/19/599111119.db2.gz KBVRHMUSSQSUDR-UHFFFAOYSA-N -1 3 379.489 3.785 20 0 GHADHM Fc1ccccc1-c1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000737663268 599132424 /nfs/dbraw/zinc/13/24/24/599132424.db2.gz IGZITBNPWGDSGN-UHFFFAOYSA-N -1 3 390.422 3.825 20 0 GHADHM Fc1ccccc1-c1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000737663268 599132425 /nfs/dbraw/zinc/13/24/25/599132425.db2.gz IGZITBNPWGDSGN-UHFFFAOYSA-N -1 3 390.422 3.825 20 0 GHADHM CCCc1noc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000821143364 599132542 /nfs/dbraw/zinc/13/25/42/599132542.db2.gz SUCOZOFASONTDM-UHFFFAOYSA-N -1 3 395.398 3.746 20 0 GHADHM CCCc1noc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000821143364 599132545 /nfs/dbraw/zinc/13/25/45/599132545.db2.gz SUCOZOFASONTDM-UHFFFAOYSA-N -1 3 395.398 3.746 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000822227554 599141653 /nfs/dbraw/zinc/14/16/53/599141653.db2.gz MXANPIVBMIPKSG-LBPRGKRZSA-N -1 3 394.460 3.558 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000822227554 599141655 /nfs/dbraw/zinc/14/16/55/599141655.db2.gz MXANPIVBMIPKSG-LBPRGKRZSA-N -1 3 394.460 3.558 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2sccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148138 599143311 /nfs/dbraw/zinc/14/33/11/599143311.db2.gz LSXWZJRCTBUXNE-PXAZEXFGSA-N -1 3 399.545 3.868 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2sccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148138 599143315 /nfs/dbraw/zinc/14/33/15/599143315.db2.gz LSXWZJRCTBUXNE-PXAZEXFGSA-N -1 3 399.545 3.868 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000820152082 599143463 /nfs/dbraw/zinc/14/34/63/599143463.db2.gz SKGNZFXOMBGSLF-SFHVURJKSA-N -1 3 395.488 3.623 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000820152082 599143465 /nfs/dbraw/zinc/14/34/65/599143465.db2.gz SKGNZFXOMBGSLF-SFHVURJKSA-N -1 3 395.488 3.623 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735902990 599159895 /nfs/dbraw/zinc/15/98/95/599159895.db2.gz CCJVEMIWQICSMJ-OLZOCXBDSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735902990 599159896 /nfs/dbraw/zinc/15/98/96/599159896.db2.gz CCJVEMIWQICSMJ-OLZOCXBDSA-N -1 3 399.401 3.674 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233231 599161845 /nfs/dbraw/zinc/16/18/45/599161845.db2.gz KWLCMFBCJVNXLL-WOJBJXKFSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233231 599161847 /nfs/dbraw/zinc/16/18/47/599161847.db2.gz KWLCMFBCJVNXLL-WOJBJXKFSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc(C)c1Cl ZINC000737278752 599163665 /nfs/dbraw/zinc/16/36/65/599163665.db2.gz DPILZBIXEKQHHG-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM Cc1cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc(C)c1Cl ZINC000737278752 599163668 /nfs/dbraw/zinc/16/36/68/599163668.db2.gz DPILZBIXEKQHHG-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCc2ccccc2CC1 ZINC000738278542 599163957 /nfs/dbraw/zinc/16/39/57/599163957.db2.gz NCPVKSTVXHSNNM-UHFFFAOYSA-N -1 3 395.466 3.775 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCc2ccccc2CC1 ZINC000738278542 599163960 /nfs/dbraw/zinc/16/39/60/599163960.db2.gz NCPVKSTVXHSNNM-UHFFFAOYSA-N -1 3 395.466 3.775 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000738292165 599167952 /nfs/dbraw/zinc/16/79/52/599167952.db2.gz XGDXGUOIWVGSNY-ZDUSSCGKSA-N -1 3 391.909 3.512 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000738292165 599167953 /nfs/dbraw/zinc/16/79/53/599167953.db2.gz XGDXGUOIWVGSNY-ZDUSSCGKSA-N -1 3 391.909 3.512 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCCCCC1 ZINC000735735665 599170076 /nfs/dbraw/zinc/17/00/76/599170076.db2.gz PRLLLKKHXMRXER-QGZVFWFLSA-N -1 3 391.516 3.962 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCCCCC1 ZINC000735735665 599170079 /nfs/dbraw/zinc/17/00/79/599170079.db2.gz PRLLLKKHXMRXER-QGZVFWFLSA-N -1 3 391.516 3.962 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000737647963 599177452 /nfs/dbraw/zinc/17/74/52/599177452.db2.gz GDRLNNIQEYAHCB-QGZVFWFLSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000737647963 599177454 /nfs/dbraw/zinc/17/74/54/599177454.db2.gz GDRLNNIQEYAHCB-QGZVFWFLSA-N -1 3 389.887 3.949 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000736480450 599182171 /nfs/dbraw/zinc/18/21/71/599182171.db2.gz PGXVIYWRQCDFHG-GOSISDBHSA-N -1 3 393.516 3.885 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000736480450 599182172 /nfs/dbraw/zinc/18/21/72/599182172.db2.gz PGXVIYWRQCDFHG-GOSISDBHSA-N -1 3 393.516 3.885 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735510443 599183808 /nfs/dbraw/zinc/18/38/08/599183808.db2.gz BMERRKANWLWZEF-AWEZNQCLSA-N -1 3 391.406 3.936 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735510443 599183809 /nfs/dbraw/zinc/18/38/09/599183809.db2.gz BMERRKANWLWZEF-AWEZNQCLSA-N -1 3 391.406 3.936 20 0 GHADHM CN(CC(F)F)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736787709 599195593 /nfs/dbraw/zinc/19/55/93/599195593.db2.gz DUZMDTPDJAFION-UHFFFAOYSA-N -1 3 393.781 3.650 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736349840 599210231 /nfs/dbraw/zinc/21/02/31/599210231.db2.gz IBLFRMLSOREXMS-LJQANCHMSA-N -1 3 395.532 3.580 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736349840 599210232 /nfs/dbraw/zinc/21/02/32/599210232.db2.gz IBLFRMLSOREXMS-LJQANCHMSA-N -1 3 395.532 3.580 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736326548 599218264 /nfs/dbraw/zinc/21/82/64/599218264.db2.gz NSPKCDKTDZMJTP-CQSZACIVSA-N -1 3 382.443 3.516 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736326548 599218266 /nfs/dbraw/zinc/21/82/66/599218266.db2.gz NSPKCDKTDZMJTP-CQSZACIVSA-N -1 3 382.443 3.516 20 0 GHADHM Cc1ccc(OC2CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CC2)cc1 ZINC000737365792 599218933 /nfs/dbraw/zinc/21/89/33/599218933.db2.gz TVWKMCUIDHFKEN-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1ccc(OC2CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CC2)cc1 ZINC000737365792 599218934 /nfs/dbraw/zinc/21/89/34/599218934.db2.gz TVWKMCUIDHFKEN-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cncs1 ZINC000823356022 599219846 /nfs/dbraw/zinc/21/98/46/599219846.db2.gz ILIOFULKHMEDQE-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cncs1 ZINC000823356022 599219849 /nfs/dbraw/zinc/21/98/49/599219849.db2.gz ILIOFULKHMEDQE-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821446840 599230905 /nfs/dbraw/zinc/23/09/05/599230905.db2.gz DKTMKZMPLORUDF-VXGBXAGGSA-N -1 3 396.973 3.823 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821446840 599230906 /nfs/dbraw/zinc/23/09/06/599230906.db2.gz DKTMKZMPLORUDF-VXGBXAGGSA-N -1 3 396.973 3.823 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820107735 607262867 /nfs/dbraw/zinc/26/28/67/607262867.db2.gz AYQHOCDNCSQONJ-LBPRGKRZSA-N -1 3 384.871 3.605 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820107735 607262868 /nfs/dbraw/zinc/26/28/68/607262868.db2.gz AYQHOCDNCSQONJ-LBPRGKRZSA-N -1 3 384.871 3.605 20 0 GHADHM CS[C@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000737170379 599226956 /nfs/dbraw/zinc/22/69/56/599226956.db2.gz JSCBZJPNELBMTN-CABCVRRESA-N -1 3 393.516 3.938 20 0 GHADHM CS[C@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000737170379 599226959 /nfs/dbraw/zinc/22/69/59/599226959.db2.gz JSCBZJPNELBMTN-CABCVRRESA-N -1 3 393.516 3.938 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356120 599227072 /nfs/dbraw/zinc/22/70/72/599227072.db2.gz JUGWYOJAMRKJON-JKSUJKDBSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356120 599227076 /nfs/dbraw/zinc/22/70/76/599227076.db2.gz JUGWYOJAMRKJON-JKSUJKDBSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822486586 607271078 /nfs/dbraw/zinc/27/10/78/607271078.db2.gz PQANKKYUFCXWGN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822486586 607271079 /nfs/dbraw/zinc/27/10/79/607271079.db2.gz PQANKKYUFCXWGN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM COC(=O)[C@H](Sc1nc(C)cc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000736900194 599245352 /nfs/dbraw/zinc/24/53/52/599245352.db2.gz DAPFZGOGSGDONX-CQSZACIVSA-N -1 3 389.868 3.538 20 0 GHADHM COC(=O)[C@H](Sc1nc(C)cc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000736900194 599245354 /nfs/dbraw/zinc/24/53/54/599245354.db2.gz DAPFZGOGSGDONX-CQSZACIVSA-N -1 3 389.868 3.538 20 0 GHADHM Cc1c(NC(=O)NCc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822102688 607281937 /nfs/dbraw/zinc/28/19/37/607281937.db2.gz CFUOURPXZHBXAC-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1c(NC(=O)NCc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822102688 607281938 /nfs/dbraw/zinc/28/19/38/607281938.db2.gz CFUOURPXZHBXAC-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccc(CSCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822239882 607281975 /nfs/dbraw/zinc/28/19/75/607281975.db2.gz JAKQFTUNFGCXPY-UHFFFAOYSA-N -1 3 382.493 3.538 20 0 GHADHM Cc1ccc(CSCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822239882 607281976 /nfs/dbraw/zinc/28/19/76/607281976.db2.gz JAKQFTUNFGCXPY-UHFFFAOYSA-N -1 3 382.493 3.538 20 0 GHADHM COc1ccc(C2(NC(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCCC2)cc1 ZINC000821782305 607288820 /nfs/dbraw/zinc/28/88/20/607288820.db2.gz CXJYORPBXJFSPD-UHFFFAOYSA-N -1 3 392.463 3.775 20 0 GHADHM COc1ccc(C2(NC(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCCC2)cc1 ZINC000821782305 607288821 /nfs/dbraw/zinc/28/88/21/607288821.db2.gz CXJYORPBXJFSPD-UHFFFAOYSA-N -1 3 392.463 3.775 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822091908 607290800 /nfs/dbraw/zinc/29/08/00/607290800.db2.gz UVUSEOJLFROKRX-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822091908 607290801 /nfs/dbraw/zinc/29/08/01/607290801.db2.gz UVUSEOJLFROKRX-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccccc1OC1CCCC1 ZINC000823237918 599258447 /nfs/dbraw/zinc/25/84/47/599258447.db2.gz FVXAUIOSYYEHMK-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccccc1OC1CCCC1 ZINC000823237918 599258449 /nfs/dbraw/zinc/25/84/49/599258449.db2.gz FVXAUIOSYYEHMK-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821221772 607292171 /nfs/dbraw/zinc/29/21/71/607292171.db2.gz MIWCWMVXFGQBJC-UHFFFAOYSA-N -1 3 376.873 3.944 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821221772 607292172 /nfs/dbraw/zinc/29/21/72/607292172.db2.gz MIWCWMVXFGQBJC-UHFFFAOYSA-N -1 3 376.873 3.944 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822061558 607296698 /nfs/dbraw/zinc/29/66/98/607296698.db2.gz QBLVEQUQGVJSGU-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822061558 607296699 /nfs/dbraw/zinc/29/66/99/607296699.db2.gz QBLVEQUQGVJSGU-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820875975 599266520 /nfs/dbraw/zinc/26/65/20/599266520.db2.gz JMCJCRXEUKRROQ-KBPBESRZSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820875975 599266522 /nfs/dbraw/zinc/26/65/22/599266522.db2.gz JMCJCRXEUKRROQ-KBPBESRZSA-N -1 3 380.452 3.927 20 0 GHADHM CN(Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OC(C)(C)C ZINC000821614440 607313073 /nfs/dbraw/zinc/31/30/73/607313073.db2.gz GDOQAJJNJCFNQW-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OC(C)(C)C ZINC000821614440 607313074 /nfs/dbraw/zinc/31/30/74/607313074.db2.gz GDOQAJJNJCFNQW-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NCCC1CC1 ZINC000822211506 599265515 /nfs/dbraw/zinc/26/55/15/599265515.db2.gz BOOOOAFDUNKZLJ-UHFFFAOYSA-N -1 3 378.436 3.889 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NCCC1CC1 ZINC000822211506 599265517 /nfs/dbraw/zinc/26/55/17/599265517.db2.gz BOOOOAFDUNKZLJ-UHFFFAOYSA-N -1 3 378.436 3.889 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820913312 599270927 /nfs/dbraw/zinc/27/09/27/599270927.db2.gz FHGPJDKQYHAVIM-KRWDZBQOSA-N -1 3 394.479 3.669 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820913312 599270928 /nfs/dbraw/zinc/27/09/28/599270928.db2.gz FHGPJDKQYHAVIM-KRWDZBQOSA-N -1 3 394.479 3.669 20 0 GHADHM c1sc(CNc2cccc(CSC3CCOCC3)c2)cc1-c1nnn[n-]1 ZINC000823751989 607318084 /nfs/dbraw/zinc/31/80/84/607318084.db2.gz VSQFPLCUUYVXQK-UHFFFAOYSA-N -1 3 387.534 3.953 20 0 GHADHM c1sc(CNc2cccc(CSC3CCOCC3)c2)cc1-c1nn[n-]n1 ZINC000823751989 607318085 /nfs/dbraw/zinc/31/80/85/607318085.db2.gz VSQFPLCUUYVXQK-UHFFFAOYSA-N -1 3 387.534 3.953 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000821028662 599277044 /nfs/dbraw/zinc/27/70/44/599277044.db2.gz XWVWEGTZZTWYSW-SFHVURJKSA-N -1 3 394.426 3.902 20 0 GHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000821028662 599277046 /nfs/dbraw/zinc/27/70/46/599277046.db2.gz XWVWEGTZZTWYSW-SFHVURJKSA-N -1 3 394.426 3.902 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000736488363 599277353 /nfs/dbraw/zinc/27/73/53/599277353.db2.gz PVTLZZGZYKQNMY-HOTGVXAUSA-N -1 3 380.427 3.570 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822227489 599279205 /nfs/dbraw/zinc/27/92/05/599279205.db2.gz LABBEFVRWRBFLN-UHFFFAOYSA-N -1 3 382.443 3.756 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822227489 599279207 /nfs/dbraw/zinc/27/92/07/599279207.db2.gz LABBEFVRWRBFLN-UHFFFAOYSA-N -1 3 382.443 3.756 20 0 GHADHM C[C@H](Sc1nnc2sc3ccccc3n12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191779 599286756 /nfs/dbraw/zinc/28/67/56/599286756.db2.gz IOWIXVBHGUCPTF-JTQLQIEISA-N -1 3 379.474 3.977 20 0 GHADHM C[C@H](Sc1nnc2sc3ccccc3n12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191779 599286758 /nfs/dbraw/zinc/28/67/58/599286758.db2.gz IOWIXVBHGUCPTF-JTQLQIEISA-N -1 3 379.474 3.977 20 0 GHADHM C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193265 599287809 /nfs/dbraw/zinc/28/78/09/599287809.db2.gz QTEKMUBJILHJAM-NSHDSACASA-N -1 3 383.868 3.954 20 0 GHADHM C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193265 599287810 /nfs/dbraw/zinc/28/78/10/599287810.db2.gz QTEKMUBJILHJAM-NSHDSACASA-N -1 3 383.868 3.954 20 0 GHADHM Cc1ccc(-n2cnnc2S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737303710 599288369 /nfs/dbraw/zinc/28/83/69/599288369.db2.gz NMFLQOYAYLBRAL-CQSZACIVSA-N -1 3 377.477 3.918 20 0 GHADHM Cc1ccc(-n2cnnc2S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737303710 599288370 /nfs/dbraw/zinc/28/83/70/599288370.db2.gz NMFLQOYAYLBRAL-CQSZACIVSA-N -1 3 377.477 3.918 20 0 GHADHM COC(=O)[C@@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641977 607346175 /nfs/dbraw/zinc/34/61/75/607346175.db2.gz BNBCPVUARKLIQS-MSOLQXFVSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641977 607346176 /nfs/dbraw/zinc/34/61/76/607346176.db2.gz BNBCPVUARKLIQS-MSOLQXFVSA-N -1 3 399.882 3.721 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000735640173 598233567 /nfs/dbraw/zinc/23/35/67/598233567.db2.gz ZCBKEWIBKSHMDP-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000735640173 598233568 /nfs/dbraw/zinc/23/35/68/598233568.db2.gz ZCBKEWIBKSHMDP-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737894833 598235387 /nfs/dbraw/zinc/23/53/87/598235387.db2.gz KYQRQVGVIUDCFN-LJQANCHMSA-N -1 3 396.882 3.590 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737244605 598290314 /nfs/dbraw/zinc/29/03/14/598290314.db2.gz INWQAPIMEMGGJX-UHFFFAOYSA-N -1 3 398.532 3.896 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737244605 598290316 /nfs/dbraw/zinc/29/03/16/598290316.db2.gz INWQAPIMEMGGJX-UHFFFAOYSA-N -1 3 398.532 3.896 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736652943 598292635 /nfs/dbraw/zinc/29/26/35/598292635.db2.gz CYKQYAKSCXOKBH-INIZCTEOSA-N -1 3 380.452 3.847 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736652943 598292637 /nfs/dbraw/zinc/29/26/37/598292637.db2.gz CYKQYAKSCXOKBH-INIZCTEOSA-N -1 3 380.452 3.847 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735648215 598301462 /nfs/dbraw/zinc/30/14/62/598301462.db2.gz AIKUYOKLZCHEER-IZZDOVSWSA-N -1 3 379.439 3.633 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735648215 598301464 /nfs/dbraw/zinc/30/14/64/598301464.db2.gz AIKUYOKLZCHEER-IZZDOVSWSA-N -1 3 379.439 3.633 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110106 598303556 /nfs/dbraw/zinc/30/35/56/598303556.db2.gz FWJIAFYLUNXQBM-ZDUSSCGKSA-N -1 3 392.438 3.718 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110106 598303558 /nfs/dbraw/zinc/30/35/58/598303558.db2.gz FWJIAFYLUNXQBM-ZDUSSCGKSA-N -1 3 392.438 3.718 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735838184 598313572 /nfs/dbraw/zinc/31/35/72/598313572.db2.gz DKOUQELVNOVFIE-UHFFFAOYSA-N -1 3 381.505 3.686 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735838184 598313574 /nfs/dbraw/zinc/31/35/74/598313574.db2.gz DKOUQELVNOVFIE-UHFFFAOYSA-N -1 3 381.505 3.686 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000736740544 598318860 /nfs/dbraw/zinc/31/88/60/598318860.db2.gz BALVXARCBVLRAT-MRXNPFEDSA-N -1 3 384.896 3.836 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000736740544 598318862 /nfs/dbraw/zinc/31/88/62/598318862.db2.gz BALVXARCBVLRAT-MRXNPFEDSA-N -1 3 384.896 3.836 20 0 GHADHM CCc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000736689834 598319907 /nfs/dbraw/zinc/31/99/07/598319907.db2.gz JLSATVVNWQBRTL-UHFFFAOYSA-N -1 3 378.914 3.631 20 0 GHADHM CCc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000736689834 598319908 /nfs/dbraw/zinc/31/99/08/598319908.db2.gz JLSATVVNWQBRTL-UHFFFAOYSA-N -1 3 378.914 3.631 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735912629 598321542 /nfs/dbraw/zinc/32/15/42/598321542.db2.gz GVDVJJNAPBDUSQ-CYBMUJFWSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735912629 598321544 /nfs/dbraw/zinc/32/15/44/598321544.db2.gz GVDVJJNAPBDUSQ-CYBMUJFWSA-N -1 3 382.493 3.702 20 0 GHADHM CCN(C(=S)N[C@H](C)c1cccs1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507929 598321859 /nfs/dbraw/zinc/32/18/59/598321859.db2.gz HCLDNLFUUHJXNB-CHWSQXEVSA-N -1 3 386.550 3.947 20 0 GHADHM CCN(C(=S)N[C@H](C)c1cccs1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507929 598321860 /nfs/dbraw/zinc/32/18/60/598321860.db2.gz HCLDNLFUUHJXNB-CHWSQXEVSA-N -1 3 386.550 3.947 20 0 GHADHM C[C@H](NC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000736127973 598324032 /nfs/dbraw/zinc/32/40/32/598324032.db2.gz UFGIWTPHMVXURV-LBPRGKRZSA-N -1 3 384.534 3.528 20 0 GHADHM C[C@H](NC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000736127973 598324033 /nfs/dbraw/zinc/32/40/33/598324033.db2.gz UFGIWTPHMVXURV-LBPRGKRZSA-N -1 3 384.534 3.528 20 0 GHADHM Fc1cccc([C@@H]2C[C@H]2NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737664935 598324268 /nfs/dbraw/zinc/32/42/68/598324268.db2.gz GNCCDJJEFUFFHK-DZGCQCFKSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc([C@@H]2C[C@H]2NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737664935 598324270 /nfs/dbraw/zinc/32/42/70/598324270.db2.gz GNCCDJJEFUFFHK-DZGCQCFKSA-N -1 3 388.859 3.502 20 0 GHADHM CCc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736688049 598325530 /nfs/dbraw/zinc/32/55/30/598325530.db2.gz AEWUMUUWMSIFLO-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM CCc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736688049 598325531 /nfs/dbraw/zinc/32/55/31/598325531.db2.gz AEWUMUUWMSIFLO-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM O=C(OCc1ccccc1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738234574 598325996 /nfs/dbraw/zinc/32/59/96/598325996.db2.gz JVSSSHDEXUGZJS-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM O=C(OCc1ccccc1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738234574 598325999 /nfs/dbraw/zinc/32/59/99/598325999.db2.gz JVSSSHDEXUGZJS-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1OC(C)C ZINC000735831059 598358704 /nfs/dbraw/zinc/35/87/04/598358704.db2.gz MZIMAABOSBOMMX-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1OC(C)C ZINC000735831059 598358706 /nfs/dbraw/zinc/35/87/06/598358706.db2.gz MZIMAABOSBOMMX-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736392302 598358901 /nfs/dbraw/zinc/35/89/01/598358901.db2.gz QOMXIDSOHKEJEM-IBGZPJMESA-N -1 3 393.491 3.806 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736392302 598358904 /nfs/dbraw/zinc/35/89/04/598358904.db2.gz QOMXIDSOHKEJEM-IBGZPJMESA-N -1 3 393.491 3.806 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735644528 598366085 /nfs/dbraw/zinc/36/60/85/598366085.db2.gz ZICRFMQOKHZYCH-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735644528 598366087 /nfs/dbraw/zinc/36/60/87/598366087.db2.gz ZICRFMQOKHZYCH-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000737563617 598388324 /nfs/dbraw/zinc/38/83/24/598388324.db2.gz NUTMGZZVWLRPNX-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000737563617 598388326 /nfs/dbraw/zinc/38/83/26/598388326.db2.gz NUTMGZZVWLRPNX-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736319403 598390952 /nfs/dbraw/zinc/39/09/52/598390952.db2.gz KELGYSYQYNXYPS-LLVKDONJSA-N -1 3 385.859 3.512 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736319403 598390954 /nfs/dbraw/zinc/39/09/54/598390954.db2.gz KELGYSYQYNXYPS-LLVKDONJSA-N -1 3 385.859 3.512 20 0 GHADHM Fc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737664118 598394950 /nfs/dbraw/zinc/39/49/50/598394950.db2.gz BIWYYHQJSZZQQO-OAHLLOKOSA-N -1 3 388.859 3.633 20 0 GHADHM Fc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737664118 598394951 /nfs/dbraw/zinc/39/49/51/598394951.db2.gz BIWYYHQJSZZQQO-OAHLLOKOSA-N -1 3 388.859 3.633 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736164117 598417860 /nfs/dbraw/zinc/41/78/60/598417860.db2.gz MXHLWSICWASHBH-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736164117 598417861 /nfs/dbraw/zinc/41/78/61/598417861.db2.gz MXHLWSICWASHBH-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM CSc1ccsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737191602 598419433 /nfs/dbraw/zinc/41/94/33/598419433.db2.gz PKOHHJOHMIILMN-UHFFFAOYSA-N -1 3 377.520 3.843 20 0 GHADHM CSc1ccsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737191602 598419436 /nfs/dbraw/zinc/41/94/36/598419436.db2.gz PKOHHJOHMIILMN-UHFFFAOYSA-N -1 3 377.520 3.843 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000737919476 598420157 /nfs/dbraw/zinc/42/01/57/598420157.db2.gz UCLKGLLTQQZIPF-UHFFFAOYSA-N -1 3 386.411 3.707 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737154270 598421563 /nfs/dbraw/zinc/42/15/63/598421563.db2.gz YWLXGQKUILIJLQ-LLVKDONJSA-N -1 3 385.493 3.761 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737154270 598421564 /nfs/dbraw/zinc/42/15/64/598421564.db2.gz YWLXGQKUILIJLQ-LLVKDONJSA-N -1 3 385.493 3.761 20 0 GHADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000736123757 598422455 /nfs/dbraw/zinc/42/24/55/598422455.db2.gz CRKXYPSVAKDBHE-JTQLQIEISA-N -1 3 382.474 3.543 20 0 GHADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000736123757 598422457 /nfs/dbraw/zinc/42/24/57/598422457.db2.gz CRKXYPSVAKDBHE-JTQLQIEISA-N -1 3 382.474 3.543 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000735874607 598425516 /nfs/dbraw/zinc/42/55/16/598425516.db2.gz RSIDTPSFBFFQFA-UHFFFAOYSA-N -1 3 376.464 3.798 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000735874607 598425518 /nfs/dbraw/zinc/42/55/18/598425518.db2.gz RSIDTPSFBFFQFA-UHFFFAOYSA-N -1 3 376.464 3.798 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737141100 598428425 /nfs/dbraw/zinc/42/84/25/598428425.db2.gz GSKJSEXBBORNMW-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737141100 598428427 /nfs/dbraw/zinc/42/84/27/598428427.db2.gz GSKJSEXBBORNMW-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM COc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737073398 598430192 /nfs/dbraw/zinc/43/01/92/598430192.db2.gz QDCUBBUQXNCAIR-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM COc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737073398 598430193 /nfs/dbraw/zinc/43/01/93/598430193.db2.gz QDCUBBUQXNCAIR-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738152470 598432109 /nfs/dbraw/zinc/43/21/09/598432109.db2.gz UYHJAZKHNMDQPQ-LLVKDONJSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738152470 598432110 /nfs/dbraw/zinc/43/21/10/598432110.db2.gz UYHJAZKHNMDQPQ-LLVKDONJSA-N -1 3 386.818 3.681 20 0 GHADHM CCS[C@@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(C)C ZINC000736666435 598441252 /nfs/dbraw/zinc/44/12/52/598441252.db2.gz RYULSOWVAKEDBH-CQSZACIVSA-N -1 3 388.522 3.706 20 0 GHADHM CCS[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(C)C ZINC000736666435 598441254 /nfs/dbraw/zinc/44/12/54/598441254.db2.gz RYULSOWVAKEDBH-CQSZACIVSA-N -1 3 388.522 3.706 20 0 GHADHM FC(F)Sc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737639869 598441521 /nfs/dbraw/zinc/44/15/21/598441521.db2.gz XSZDGKMMKIJBST-UHFFFAOYSA-N -1 3 378.433 3.990 20 0 GHADHM FC(F)Sc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737639869 598441522 /nfs/dbraw/zinc/44/15/22/598441522.db2.gz XSZDGKMMKIJBST-UHFFFAOYSA-N -1 3 378.433 3.990 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736204880 598442062 /nfs/dbraw/zinc/44/20/62/598442062.db2.gz SHJBOXOORBPSON-INIZCTEOSA-N -1 3 384.443 3.665 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736204880 598442063 /nfs/dbraw/zinc/44/20/63/598442063.db2.gz SHJBOXOORBPSON-INIZCTEOSA-N -1 3 384.443 3.665 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502986 598442236 /nfs/dbraw/zinc/44/22/36/598442236.db2.gz RNQAEYXGYODFMZ-YARYAAFXSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502986 598442238 /nfs/dbraw/zinc/44/22/38/598442238.db2.gz RNQAEYXGYODFMZ-YARYAAFXSA-N -1 3 391.475 3.888 20 0 GHADHM CC(C)C[C@@H](C)N(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc2[nH]ccc2c1 ZINC000735762005 598450464 /nfs/dbraw/zinc/45/04/64/598450464.db2.gz TUTSXPHZOYFYMO-CQSZACIVSA-N -1 3 389.463 3.824 20 0 GHADHM CC(C)C[C@@H](C)N(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc2[nH]ccc2c1 ZINC000735762005 598450466 /nfs/dbraw/zinc/45/04/66/598450466.db2.gz TUTSXPHZOYFYMO-CQSZACIVSA-N -1 3 389.463 3.824 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738175446 598450835 /nfs/dbraw/zinc/45/08/35/598450835.db2.gz NHJVWPXKBROHJY-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738175446 598450837 /nfs/dbraw/zinc/45/08/37/598450837.db2.gz NHJVWPXKBROHJY-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCOCCN(CC)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736618867 598455465 /nfs/dbraw/zinc/45/54/65/598455465.db2.gz MYJOHFDZHYRCPK-UHFFFAOYSA-N -1 3 397.504 3.517 20 0 GHADHM CCOCCN(CC)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736618867 598455467 /nfs/dbraw/zinc/45/54/67/598455467.db2.gz MYJOHFDZHYRCPK-UHFFFAOYSA-N -1 3 397.504 3.517 20 0 GHADHM CCOCCN(CC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736617378 598483597 /nfs/dbraw/zinc/48/35/97/598483597.db2.gz FCTSJSSEGMDDHR-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM CCOCCN(CC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736617378 598483599 /nfs/dbraw/zinc/48/35/99/598483599.db2.gz FCTSJSSEGMDDHR-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163804 598486427 /nfs/dbraw/zinc/48/64/27/598486427.db2.gz RJKUXKHGCUOEPX-SNVBAGLBSA-N -1 3 383.458 3.970 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163804 598486429 /nfs/dbraw/zinc/48/64/29/598486429.db2.gz RJKUXKHGCUOEPX-SNVBAGLBSA-N -1 3 383.458 3.970 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737513629 598492451 /nfs/dbraw/zinc/49/24/51/598492451.db2.gz QRFZMJGEALIVDL-MRXNPFEDSA-N -1 3 396.495 3.573 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737513629 598492453 /nfs/dbraw/zinc/49/24/53/598492453.db2.gz QRFZMJGEALIVDL-MRXNPFEDSA-N -1 3 396.495 3.573 20 0 GHADHM CC(=O)c1ccc(Cl)c(Cl)c1OCCOc1ccccc1-c1nnn[n-]1 ZINC000735496249 598494156 /nfs/dbraw/zinc/49/41/56/598494156.db2.gz ZNALUEFUQQEANW-UHFFFAOYSA-N -1 3 393.230 3.834 20 0 GHADHM CC(=O)c1ccc(Cl)c(Cl)c1OCCOc1ccccc1-c1nn[n-]n1 ZINC000735496249 598494157 /nfs/dbraw/zinc/49/41/57/598494157.db2.gz ZNALUEFUQQEANW-UHFFFAOYSA-N -1 3 393.230 3.834 20 0 GHADHM CC(=O)c1ccc(Cl)c(Cl)c1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735495378 598494239 /nfs/dbraw/zinc/49/42/39/598494239.db2.gz HSZSDBVCZWYUOJ-UHFFFAOYSA-N -1 3 393.230 3.834 20 0 GHADHM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738182789 598511684 /nfs/dbraw/zinc/51/16/84/598511684.db2.gz IOLZROJVTBTOIA-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738182789 598511686 /nfs/dbraw/zinc/51/16/86/598511686.db2.gz IOLZROJVTBTOIA-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250503 598514661 /nfs/dbraw/zinc/51/46/61/598514661.db2.gz HOGCSQJCXNTJCD-OLZOCXBDSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250503 598514666 /nfs/dbraw/zinc/51/46/66/598514666.db2.gz HOGCSQJCXNTJCD-OLZOCXBDSA-N -1 3 375.215 3.883 20 0 GHADHM CCc1c(C)sc(NC(=O)C2(c3ccc(OC)cc3)CCC2)c1-c1nnn[n-]1 ZINC000736671296 598515527 /nfs/dbraw/zinc/51/55/27/598515527.db2.gz WNBDQYGFWIPRMQ-UHFFFAOYSA-N -1 3 397.504 3.868 20 0 GHADHM CCc1c(C)sc(NC(=O)C2(c3ccc(OC)cc3)CCC2)c1-c1nn[n-]n1 ZINC000736671296 598515528 /nfs/dbraw/zinc/51/55/28/598515528.db2.gz WNBDQYGFWIPRMQ-UHFFFAOYSA-N -1 3 397.504 3.868 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)c(F)c2F)c1-c1nnn[n-]1 ZINC000736675807 598518437 /nfs/dbraw/zinc/51/84/37/598518437.db2.gz OHFWINBRDJZNMO-UHFFFAOYSA-N -1 3 385.346 3.608 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)c(F)c(F)c2F)c1-c1nn[n-]n1 ZINC000736675807 598518439 /nfs/dbraw/zinc/51/84/39/598518439.db2.gz OHFWINBRDJZNMO-UHFFFAOYSA-N -1 3 385.346 3.608 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267218 598538592 /nfs/dbraw/zinc/53/85/92/598538592.db2.gz BDFUVKNIQLSASX-KSSFIOAISA-N -1 3 395.463 3.689 20 0 GHADHM CCc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000736688336 598538963 /nfs/dbraw/zinc/53/89/63/598538963.db2.gz CXWQCMDLMDGXSC-UHFFFAOYSA-N -1 3 389.415 3.853 20 0 GHADHM O=C(Oc1c(F)cccc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738252046 598539594 /nfs/dbraw/zinc/53/95/94/598539594.db2.gz VQYMTOGWPOWKRY-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM CCO[C@@H](CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736616259 598541826 /nfs/dbraw/zinc/54/18/26/598541826.db2.gz MIATWUULGYGSBQ-IBGZPJMESA-N -1 3 395.463 3.508 20 0 GHADHM CCO[C@@H](CC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736616259 598541827 /nfs/dbraw/zinc/54/18/27/598541827.db2.gz MIATWUULGYGSBQ-IBGZPJMESA-N -1 3 395.463 3.508 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000735978097 598543525 /nfs/dbraw/zinc/54/35/25/598543525.db2.gz UAGSFHKRJJWIAB-CQSZACIVSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000735978097 598543527 /nfs/dbraw/zinc/54/35/27/598543527.db2.gz UAGSFHKRJJWIAB-CQSZACIVSA-N -1 3 377.448 3.820 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826421316 607360193 /nfs/dbraw/zinc/36/01/93/607360193.db2.gz BZORPACYWKBCGU-UHFFFAOYSA-N -1 3 398.422 3.502 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826421316 607360195 /nfs/dbraw/zinc/36/01/95/607360195.db2.gz BZORPACYWKBCGU-UHFFFAOYSA-N -1 3 398.422 3.502 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CC=CCC1 ZINC000738172549 598544816 /nfs/dbraw/zinc/54/48/16/598544816.db2.gz NUEIAMVLSKPJBV-MRXNPFEDSA-N -1 3 375.432 3.741 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CC=CCC1 ZINC000738172549 598544817 /nfs/dbraw/zinc/54/48/17/598544817.db2.gz NUEIAMVLSKPJBV-MRXNPFEDSA-N -1 3 375.432 3.741 20 0 GHADHM CC(C)Oc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000735915987 598546649 /nfs/dbraw/zinc/54/66/49/598546649.db2.gz XLFAGCPTXFZKRG-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM CC(C)Oc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000735915987 598546650 /nfs/dbraw/zinc/54/66/50/598546650.db2.gz XLFAGCPTXFZKRG-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000737472307 598555644 /nfs/dbraw/zinc/55/56/44/598555644.db2.gz YVZXFSSTWIAETK-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000737472307 598555645 /nfs/dbraw/zinc/55/56/45/598555645.db2.gz YVZXFSSTWIAETK-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1Cc2ccccc2O1 ZINC000738171719 598555731 /nfs/dbraw/zinc/55/57/31/598555731.db2.gz JXCRWUHFUIWVLU-HXUWFJFHSA-N -1 3 399.410 3.601 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1Cc2ccccc2O1 ZINC000738171719 598555732 /nfs/dbraw/zinc/55/57/32/598555732.db2.gz JXCRWUHFUIWVLU-HXUWFJFHSA-N -1 3 399.410 3.601 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)s1 ZINC000737337407 598559319 /nfs/dbraw/zinc/55/93/19/598559319.db2.gz MJABZRDJBGGWMO-UHFFFAOYSA-N -1 3 386.481 3.688 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000737337407 598559321 /nfs/dbraw/zinc/55/93/21/598559321.db2.gz MJABZRDJBGGWMO-UHFFFAOYSA-N -1 3 386.481 3.688 20 0 GHADHM CC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736279613 598565274 /nfs/dbraw/zinc/56/52/74/598565274.db2.gz ZKHBVBHMTQPILC-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000736279613 598565275 /nfs/dbraw/zinc/56/52/75/598565275.db2.gz ZKHBVBHMTQPILC-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648244 598570065 /nfs/dbraw/zinc/57/00/65/598570065.db2.gz AZDJOMRFDTTWKQ-IBGZPJMESA-N -1 3 390.491 3.772 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735929020 598570183 /nfs/dbraw/zinc/57/01/83/598570183.db2.gz WFQGBHHRXDQUKX-LJQANCHMSA-N -1 3 376.464 3.598 20 0 GHADHM O=C(Nc1cccc2ccccc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738183544 598571112 /nfs/dbraw/zinc/57/11/12/598571112.db2.gz JKUXMLYEZAXGTD-FQEVSTJZSA-N -1 3 384.443 3.627 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1Cl ZINC000738191871 598573837 /nfs/dbraw/zinc/57/38/37/598573837.db2.gz MSDLMFCXVVCNSH-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1Cl ZINC000738191871 598573838 /nfs/dbraw/zinc/57/38/38/598573838.db2.gz MSDLMFCXVVCNSH-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736829436 598576144 /nfs/dbraw/zinc/57/61/44/598576144.db2.gz DCYTXXJQXAUGJS-UHFFFAOYSA-N -1 3 399.380 3.708 20 0 GHADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736829436 598576145 /nfs/dbraw/zinc/57/61/45/598576145.db2.gz DCYTXXJQXAUGJS-UHFFFAOYSA-N -1 3 399.380 3.708 20 0 GHADHM COc1cccc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1OC ZINC000737130577 598576348 /nfs/dbraw/zinc/57/63/48/598576348.db2.gz HGTUXBGYRAOGEM-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM COc1cccc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1OC ZINC000737130577 598576350 /nfs/dbraw/zinc/57/63/50/598576350.db2.gz HGTUXBGYRAOGEM-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC000736290571 598577602 /nfs/dbraw/zinc/57/76/02/598577602.db2.gz QZLSJBIBRFRZID-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC000736290571 598577603 /nfs/dbraw/zinc/57/76/03/598577603.db2.gz QZLSJBIBRFRZID-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM O[C@]1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCc2ccccc21 ZINC000738388944 598581094 /nfs/dbraw/zinc/58/10/94/598581094.db2.gz JFYZTBFXQINNPS-SFHVURJKSA-N -1 3 389.381 3.522 20 0 GHADHM O[C@]1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCc2ccccc21 ZINC000738388944 598581097 /nfs/dbraw/zinc/58/10/97/598581097.db2.gz JFYZTBFXQINNPS-SFHVURJKSA-N -1 3 389.381 3.522 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1Cl ZINC000738168275 598585765 /nfs/dbraw/zinc/58/57/65/598585765.db2.gz XSUCZVCAIFSAIV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1Cl ZINC000738168275 598585766 /nfs/dbraw/zinc/58/57/66/598585766.db2.gz XSUCZVCAIFSAIV-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737477371 598586259 /nfs/dbraw/zinc/58/62/59/598586259.db2.gz KRNLREOXAYOFSV-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737477371 598586260 /nfs/dbraw/zinc/58/62/60/598586260.db2.gz KRNLREOXAYOFSV-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccnc1Sc1ccccc1 ZINC000738165016 598589543 /nfs/dbraw/zinc/58/95/43/598589543.db2.gz BWXKXVVQCUHIKS-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccnc1Sc1ccccc1 ZINC000738165016 598589545 /nfs/dbraw/zinc/58/95/45/598589545.db2.gz BWXKXVVQCUHIKS-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)c1ccsc1 ZINC000738173361 598594556 /nfs/dbraw/zinc/59/45/56/598594556.db2.gz PCDJPVIBPYGDNB-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)c1ccsc1 ZINC000738173361 598594558 /nfs/dbraw/zinc/59/45/58/598594558.db2.gz PCDJPVIBPYGDNB-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)c1ccccc1 ZINC000738172474 598594635 /nfs/dbraw/zinc/59/46/35/598594635.db2.gz MMFLNSQEBDQYSI-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)c1ccccc1 ZINC000738172474 598594637 /nfs/dbraw/zinc/59/46/37/598594637.db2.gz MMFLNSQEBDQYSI-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cn1c2ccccc2nc1-c1cccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737588740 598608217 /nfs/dbraw/zinc/60/82/17/598608217.db2.gz JNNLODVWVFRZCJ-UHFFFAOYSA-N -1 3 396.410 3.640 20 0 GHADHM Cn1c2ccccc2nc1-c1cccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737588740 598608219 /nfs/dbraw/zinc/60/82/19/598608219.db2.gz JNNLODVWVFRZCJ-UHFFFAOYSA-N -1 3 396.410 3.640 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2ccccc2Cl)no1 ZINC000736191423 598609524 /nfs/dbraw/zinc/60/95/24/598609524.db2.gz ZKLAYEXFPALZRB-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2ccccc2Cl)no1 ZINC000736191423 598609525 /nfs/dbraw/zinc/60/95/25/598609525.db2.gz ZKLAYEXFPALZRB-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM Clc1ccc(Cc2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737575495 598613048 /nfs/dbraw/zinc/61/30/48/598613048.db2.gz LAOGNZXFVBXVCS-UHFFFAOYSA-N -1 3 398.879 3.927 20 0 GHADHM Clc1ccc(Cc2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737575495 598613050 /nfs/dbraw/zinc/61/30/50/598613050.db2.gz LAOGNZXFVBXVCS-UHFFFAOYSA-N -1 3 398.879 3.927 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736714267 598632421 /nfs/dbraw/zinc/63/24/21/598632421.db2.gz WKTDMCSYKXACGA-UHFFFAOYSA-N -1 3 394.410 3.978 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736714267 598632423 /nfs/dbraw/zinc/63/24/23/598632423.db2.gz WKTDMCSYKXACGA-UHFFFAOYSA-N -1 3 394.410 3.978 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736635379 598632614 /nfs/dbraw/zinc/63/26/14/598632614.db2.gz BDGNHIDVZNUGBW-GOSISDBHSA-N -1 3 396.426 3.774 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736635379 598632616 /nfs/dbraw/zinc/63/26/16/598632616.db2.gz BDGNHIDVZNUGBW-GOSISDBHSA-N -1 3 396.426 3.774 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000735875358 598633910 /nfs/dbraw/zinc/63/39/10/598633910.db2.gz UQPIQTFFNWCNTN-UHFFFAOYSA-N -1 3 390.491 3.733 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC(c2ccccc2)C1 ZINC000735875358 598633911 /nfs/dbraw/zinc/63/39/11/598633911.db2.gz UQPIQTFFNWCNTN-UHFFFAOYSA-N -1 3 390.491 3.733 20 0 GHADHM Brc1cccc(-c2c[nH]c(C=Cc3ccc(-c4nnn[n-]4)cn3)n2)c1 ZINC000735367895 598638482 /nfs/dbraw/zinc/63/84/82/598638482.db2.gz ALJMFPYCBVHOBY-SREVYHEPSA-N -1 3 394.236 3.585 20 0 GHADHM Brc1cccc(-c2c[nH]c(C=Cc3ccc(-c4nn[n-]n4)cn3)n2)c1 ZINC000735367895 598638484 /nfs/dbraw/zinc/63/84/84/598638484.db2.gz ALJMFPYCBVHOBY-SREVYHEPSA-N -1 3 394.236 3.585 20 0 GHADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736357205 598646301 /nfs/dbraw/zinc/64/63/01/598646301.db2.gz PUTAKMAGJJFPJH-FQEVSTJZSA-N -1 3 393.491 3.992 20 0 GHADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736357205 598646303 /nfs/dbraw/zinc/64/63/03/598646303.db2.gz PUTAKMAGJJFPJH-FQEVSTJZSA-N -1 3 393.491 3.992 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1cccc(F)c1 ZINC000735448414 598650781 /nfs/dbraw/zinc/65/07/81/598650781.db2.gz JFFPKTANGOXYKZ-RVDMUPIBSA-N -1 3 379.439 3.846 20 0 GHADHM CC(=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1cccc(F)c1 ZINC000735448414 598650784 /nfs/dbraw/zinc/65/07/84/598650784.db2.gz JFFPKTANGOXYKZ-RVDMUPIBSA-N -1 3 379.439 3.846 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)cc1 ZINC000735498314 598651067 /nfs/dbraw/zinc/65/10/67/598651067.db2.gz YBLJQKDOAPTXEI-UHFFFAOYSA-N -1 3 397.438 3.916 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)cc1 ZINC000735498314 598651069 /nfs/dbraw/zinc/65/10/69/598651069.db2.gz YBLJQKDOAPTXEI-UHFFFAOYSA-N -1 3 397.438 3.916 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736399140 598652565 /nfs/dbraw/zinc/65/25/65/598652565.db2.gz FCAAYAWBASKGTO-KSSFIOAISA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736399140 598652567 /nfs/dbraw/zinc/65/25/67/598652567.db2.gz FCAAYAWBASKGTO-KSSFIOAISA-N -1 3 392.463 3.753 20 0 GHADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737322133 598652709 /nfs/dbraw/zinc/65/27/09/598652709.db2.gz IJBAHMTZHBLIIL-HNNXBMFYSA-N -1 3 381.505 3.795 20 0 GHADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737322133 598652711 /nfs/dbraw/zinc/65/27/11/598652711.db2.gz IJBAHMTZHBLIIL-HNNXBMFYSA-N -1 3 381.505 3.795 20 0 GHADHM CSc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737188945 598657299 /nfs/dbraw/zinc/65/72/99/598657299.db2.gz AKGQCJKYYKMISU-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CSc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737188945 598657301 /nfs/dbraw/zinc/65/73/01/598657301.db2.gz AKGQCJKYYKMISU-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CCCC[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736441345 598657328 /nfs/dbraw/zinc/65/73/28/598657328.db2.gz PYFVCHDYZMFMPG-QFBILLFUSA-N -1 3 385.512 3.891 20 0 GHADHM CCCC[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736441345 598657330 /nfs/dbraw/zinc/65/73/30/598657330.db2.gz PYFVCHDYZMFMPG-QFBILLFUSA-N -1 3 385.512 3.891 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000735913926 598657722 /nfs/dbraw/zinc/65/77/22/598657722.db2.gz DVILOTPQYFYJQN-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000735913926 598657724 /nfs/dbraw/zinc/65/77/24/598657724.db2.gz DVILOTPQYFYJQN-UHFFFAOYSA-N -1 3 387.440 3.524 20 0 GHADHM Cc1cc(C)c2c(c1)N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737248873 598658311 /nfs/dbraw/zinc/65/83/11/598658311.db2.gz OCWDCQPKSQSCRQ-UHFFFAOYSA-N -1 3 379.489 3.555 20 0 GHADHM Cc1cc(C)c2c(c1)N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737248873 598658313 /nfs/dbraw/zinc/65/83/13/598658313.db2.gz OCWDCQPKSQSCRQ-UHFFFAOYSA-N -1 3 379.489 3.555 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735671527 598660040 /nfs/dbraw/zinc/66/00/40/598660040.db2.gz YIIBYTNZWAYXFX-VAWYXSNFSA-N -1 3 381.867 3.671 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735671527 598660041 /nfs/dbraw/zinc/66/00/41/598660041.db2.gz YIIBYTNZWAYXFX-VAWYXSNFSA-N -1 3 381.867 3.671 20 0 GHADHM Cc1cc2cc(NC(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC000737284366 598683557 /nfs/dbraw/zinc/68/35/57/598683557.db2.gz JYYKNVKPKZRUTG-UHFFFAOYSA-N -1 3 390.447 3.844 20 0 GHADHM Cc1cc2cc(NC(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC000737284366 598683558 /nfs/dbraw/zinc/68/35/58/598683558.db2.gz JYYKNVKPKZRUTG-UHFFFAOYSA-N -1 3 390.447 3.844 20 0 GHADHM Cc1ccccc1-c1noc(CSCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000737417716 598696876 /nfs/dbraw/zinc/69/68/76/598696876.db2.gz KLOICPIMBUSBPF-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1-c1noc(CSCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000737417716 598696878 /nfs/dbraw/zinc/69/68/78/598696878.db2.gz KLOICPIMBUSBPF-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CCCC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736436660 598698852 /nfs/dbraw/zinc/69/88/52/598698852.db2.gz FIBDRQFVFLMFIB-GOSISDBHSA-N -1 3 380.452 3.928 20 0 GHADHM CCCC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736436660 598698853 /nfs/dbraw/zinc/69/88/53/598698853.db2.gz FIBDRQFVFLMFIB-GOSISDBHSA-N -1 3 380.452 3.928 20 0 GHADHM COc1cc2ccccc2cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737056858 598703169 /nfs/dbraw/zinc/70/31/69/598703169.db2.gz ZPFXNBVBRVZULR-UHFFFAOYSA-N -1 3 378.363 3.525 20 0 GHADHM COc1cc2ccccc2cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737056858 598703171 /nfs/dbraw/zinc/70/31/71/598703171.db2.gz ZPFXNBVBRVZULR-UHFFFAOYSA-N -1 3 378.363 3.525 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737955393 598703840 /nfs/dbraw/zinc/70/38/40/598703840.db2.gz FXWHOXJDZOPZQB-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737955393 598703842 /nfs/dbraw/zinc/70/38/42/598703842.db2.gz FXWHOXJDZOPZQB-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737463296 598706569 /nfs/dbraw/zinc/70/65/69/598706569.db2.gz QRAUOHAVQIZKIH-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737463296 598706571 /nfs/dbraw/zinc/70/65/71/598706571.db2.gz QRAUOHAVQIZKIH-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1csc2ccccc12 ZINC000737946897 598714244 /nfs/dbraw/zinc/71/42/44/598714244.db2.gz IOWVJIKOFDBPEP-UHFFFAOYSA-N -1 3 382.470 3.917 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1csc2ccccc12 ZINC000737946897 598714246 /nfs/dbraw/zinc/71/42/46/598714246.db2.gz IOWVJIKOFDBPEP-UHFFFAOYSA-N -1 3 382.470 3.917 20 0 GHADHM O=C(OCc1cccc(F)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738233017 598726811 /nfs/dbraw/zinc/72/68/11/598726811.db2.gz PCGWXAPGGSTXKX-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cccc(F)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738233017 598726813 /nfs/dbraw/zinc/72/68/13/598726813.db2.gz PCGWXAPGGSTXKX-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737075136 598729114 /nfs/dbraw/zinc/72/91/14/598729114.db2.gz KXYSCNBJCSDXCY-OANVXVOSSA-N -1 3 384.823 3.846 20 0 GHADHM COc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737075136 598729115 /nfs/dbraw/zinc/72/91/15/598729115.db2.gz KXYSCNBJCSDXCY-OANVXVOSSA-N -1 3 384.823 3.846 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000736679023 598736193 /nfs/dbraw/zinc/73/61/93/598736193.db2.gz JBNNHDXEKDVLBY-UHFFFAOYSA-N -1 3 387.227 3.584 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000736679023 598736194 /nfs/dbraw/zinc/73/61/94/598736194.db2.gz JBNNHDXEKDVLBY-UHFFFAOYSA-N -1 3 387.227 3.584 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736154321 598739441 /nfs/dbraw/zinc/73/94/41/598739441.db2.gz UCTWFQPGJOPRCC-DHHDDZJSSA-N -1 3 394.822 3.714 20 0 GHADHM Cc1c2ccccc2oc1[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737209423 598755106 /nfs/dbraw/zinc/75/51/06/598755106.db2.gz OQZLYMVQTVMPSS-HXUWFJFHSA-N -1 3 389.459 3.977 20 0 GHADHM Cc1c2ccccc2oc1[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737209423 598755108 /nfs/dbraw/zinc/75/51/08/598755108.db2.gz OQZLYMVQTVMPSS-HXUWFJFHSA-N -1 3 389.459 3.977 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737421388 598759396 /nfs/dbraw/zinc/75/93/96/598759396.db2.gz LXIKATMMSVMIBR-KXBFYZLASA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421388 598759397 /nfs/dbraw/zinc/75/93/97/598759397.db2.gz LXIKATMMSVMIBR-KXBFYZLASA-N -1 3 378.480 3.933 20 0 GHADHM CC(C)CS[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735851112 598762917 /nfs/dbraw/zinc/76/29/17/598762917.db2.gz XOXZVBULDRCCQJ-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)CS[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735851112 598762915 /nfs/dbraw/zinc/76/29/15/598762915.db2.gz XOXZVBULDRCCQJ-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000735903486 598765562 /nfs/dbraw/zinc/76/55/62/598765562.db2.gz GYOQYMQXPDIFNH-AWEZNQCLSA-N -1 3 393.447 3.502 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCCc4sccc4C3)c2c1 ZINC000737643865 598773647 /nfs/dbraw/zinc/77/36/47/598773647.db2.gz HBWLEYDJIAVIRZ-UHFFFAOYSA-N -1 3 384.415 3.707 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCCc4sccc4C3)c2c1 ZINC000737643865 598773648 /nfs/dbraw/zinc/77/36/48/598773648.db2.gz HBWLEYDJIAVIRZ-UHFFFAOYSA-N -1 3 384.415 3.707 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)CC2 ZINC000737668468 598773770 /nfs/dbraw/zinc/77/37/70/598773770.db2.gz VLNWUSUSHAWJIW-MRXNPFEDSA-N -1 3 382.349 3.932 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)CC2 ZINC000737668468 598773773 /nfs/dbraw/zinc/77/37/73/598773773.db2.gz VLNWUSUSHAWJIW-MRXNPFEDSA-N -1 3 382.349 3.932 20 0 GHADHM C[C@@H](OC(=O)CCCC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736151011 598780304 /nfs/dbraw/zinc/78/03/04/598780304.db2.gz PMXQQJDMPCNPOP-LLVKDONJSA-N -1 3 393.875 3.607 20 0 GHADHM C[C@@H](OC(=O)CCCC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736151011 598780306 /nfs/dbraw/zinc/78/03/06/598780306.db2.gz PMXQQJDMPCNPOP-LLVKDONJSA-N -1 3 393.875 3.607 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000736529797 598792883 /nfs/dbraw/zinc/79/28/83/598792883.db2.gz RVHOHLYOPBHVRE-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000736529797 598792884 /nfs/dbraw/zinc/79/28/84/598792884.db2.gz RVHOHLYOPBHVRE-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H](C)C(C)C)cc1 ZINC000737032049 598805328 /nfs/dbraw/zinc/80/53/28/598805328.db2.gz IYAXJIXGECBAQQ-ZDUSSCGKSA-N -1 3 381.436 3.898 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H](C)C(C)C)cc1 ZINC000737032049 598805329 /nfs/dbraw/zinc/80/53/29/598805329.db2.gz IYAXJIXGECBAQQ-ZDUSSCGKSA-N -1 3 381.436 3.898 20 0 GHADHM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738176205 598811204 /nfs/dbraw/zinc/81/12/04/598811204.db2.gz VESQLTJRUKIGPD-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738176205 598811206 /nfs/dbraw/zinc/81/12/06/598811206.db2.gz VESQLTJRUKIGPD-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736422747 598822491 /nfs/dbraw/zinc/82/24/91/598822491.db2.gz OWNPTVZUINURKM-SFHVURJKSA-N -1 3 396.539 3.512 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736422747 598822492 /nfs/dbraw/zinc/82/24/92/598822492.db2.gz OWNPTVZUINURKM-SFHVURJKSA-N -1 3 396.539 3.512 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000736635039 598822556 /nfs/dbraw/zinc/82/25/56/598822556.db2.gz RIUFWWSMMSCLKK-UHFFFAOYSA-N -1 3 392.463 3.508 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000736635039 598822557 /nfs/dbraw/zinc/82/25/57/598822557.db2.gz RIUFWWSMMSCLKK-UHFFFAOYSA-N -1 3 392.463 3.508 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379386 599296588 /nfs/dbraw/zinc/29/65/88/599296588.db2.gz CAGONTCTZZQXTB-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379386 599296590 /nfs/dbraw/zinc/29/65/90/599296590.db2.gz CAGONTCTZZQXTB-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM CCc1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)sc1C ZINC000821510058 599297414 /nfs/dbraw/zinc/29/74/14/599297414.db2.gz UWUIQVVXFWFKTM-UHFFFAOYSA-N -1 3 399.524 3.884 20 0 GHADHM CCc1nc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)sc1C ZINC000821510058 599297415 /nfs/dbraw/zinc/29/74/15/599297415.db2.gz UWUIQVVXFWFKTM-UHFFFAOYSA-N -1 3 399.524 3.884 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000737378366 599306593 /nfs/dbraw/zinc/30/65/93/599306593.db2.gz AKGQGXGAUCBDQW-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000737378366 599306594 /nfs/dbraw/zinc/30/65/94/599306594.db2.gz AKGQGXGAUCBDQW-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM Cc1sc(NC(=O)CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)c1C ZINC000737565733 599326039 /nfs/dbraw/zinc/32/60/39/599326039.db2.gz WRFBYKFPKCMHSL-UHFFFAOYSA-N -1 3 376.873 3.557 20 0 GHADHM Cc1sc(NC(=O)CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)c1C ZINC000737565733 599326042 /nfs/dbraw/zinc/32/60/42/599326042.db2.gz WRFBYKFPKCMHSL-UHFFFAOYSA-N -1 3 376.873 3.557 20 0 GHADHM C[C@@H](SCc1csc(-c2cnn(C)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189206 599326268 /nfs/dbraw/zinc/32/62/68/599326268.db2.gz BJJPSBWZCNVSNP-LLVKDONJSA-N -1 3 383.506 3.718 20 0 GHADHM C[C@@H](SCc1csc(-c2cnn(C)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189206 599326271 /nfs/dbraw/zinc/32/62/71/599326271.db2.gz BJJPSBWZCNVSNP-LLVKDONJSA-N -1 3 383.506 3.718 20 0 GHADHM C[C@H](SCC(=O)Nc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187803 599327444 /nfs/dbraw/zinc/32/74/44/599327444.db2.gz BZLCMNHIDXVBKI-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM C[C@H](SCC(=O)Nc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187803 599327447 /nfs/dbraw/zinc/32/74/47/599327447.db2.gz BZLCMNHIDXVBKI-JTQLQIEISA-N -1 3 375.404 3.578 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827316 599327493 /nfs/dbraw/zinc/32/74/93/599327493.db2.gz JSTNMSYCGLJXFX-HNNXBMFYSA-N -1 3 375.542 3.802 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827316 599327495 /nfs/dbraw/zinc/32/74/95/599327495.db2.gz JSTNMSYCGLJXFX-HNNXBMFYSA-N -1 3 375.542 3.802 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000736187441 599327551 /nfs/dbraw/zinc/32/75/51/599327551.db2.gz ASSMVOLHUUPASX-GJZGRUSLSA-N -1 3 393.516 3.634 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000736187441 599327552 /nfs/dbraw/zinc/32/75/52/599327552.db2.gz ASSMVOLHUUPASX-GJZGRUSLSA-N -1 3 393.516 3.634 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343414 599329617 /nfs/dbraw/zinc/32/96/17/599329617.db2.gz XFUUGEBTBKIWSU-CABCVRRESA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343414 599329620 /nfs/dbraw/zinc/32/96/20/599329620.db2.gz XFUUGEBTBKIWSU-CABCVRRESA-N -1 3 381.505 3.674 20 0 GHADHM C[C@H](SCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188254 599330113 /nfs/dbraw/zinc/33/01/13/599330113.db2.gz JXTYCZFHJAVCEZ-KGLIPLIRSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@H](SCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188254 599330116 /nfs/dbraw/zinc/33/01/16/599330116.db2.gz JXTYCZFHJAVCEZ-KGLIPLIRSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191081 599330687 /nfs/dbraw/zinc/33/06/87/599330687.db2.gz VRUTUELJQRZNHV-KSSFIOAISA-N -1 3 379.489 3.857 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191081 599330689 /nfs/dbraw/zinc/33/06/89/599330689.db2.gz VRUTUELJQRZNHV-KSSFIOAISA-N -1 3 379.489 3.857 20 0 GHADHM C[C@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192340 599330901 /nfs/dbraw/zinc/33/09/01/599330901.db2.gz YGTFJVXZHJMNHV-JHMRYYBSSA-N -1 3 397.548 3.746 20 0 GHADHM C[C@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192340 599330904 /nfs/dbraw/zinc/33/09/04/599330904.db2.gz YGTFJVXZHJMNHV-JHMRYYBSSA-N -1 3 397.548 3.746 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000820555097 599349480 /nfs/dbraw/zinc/34/94/80/599349480.db2.gz GCZBLGWKDMENDM-CHWSQXEVSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000820555097 599349482 /nfs/dbraw/zinc/34/94/82/599349482.db2.gz GCZBLGWKDMENDM-CHWSQXEVSA-N -1 3 393.472 3.971 20 0 GHADHM Cc1ccc([C@@H](NC(=O)CSc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822230926 599350736 /nfs/dbraw/zinc/35/07/36/599350736.db2.gz VJRYMRZWBVHYQS-LJQANCHMSA-N -1 3 379.489 3.535 20 0 GHADHM Cc1ccc([C@@H](NC(=O)CSc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822230926 599350738 /nfs/dbraw/zinc/35/07/38/599350738.db2.gz VJRYMRZWBVHYQS-LJQANCHMSA-N -1 3 379.489 3.535 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)NCC1(c2ccccc2)CCCC1 ZINC000823070563 599350925 /nfs/dbraw/zinc/35/09/25/599350925.db2.gz FGQJDMAUWRZXQN-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)NCC1(c2ccccc2)CCCC1 ZINC000823070563 599350930 /nfs/dbraw/zinc/35/09/30/599350930.db2.gz FGQJDMAUWRZXQN-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(F)(F)F ZINC000821835691 599368062 /nfs/dbraw/zinc/36/80/62/599368062.db2.gz PPMRQILAMFBGCM-NSHDSACASA-N -1 3 393.369 3.990 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(F)(F)F ZINC000821835691 599368065 /nfs/dbraw/zinc/36/80/65/599368065.db2.gz PPMRQILAMFBGCM-NSHDSACASA-N -1 3 393.369 3.990 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456891 599376560 /nfs/dbraw/zinc/37/65/60/599376560.db2.gz WYQLSOIJQSGOEV-JTQLQIEISA-N -1 3 396.348 3.714 20 0 GHADHM C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456891 599376563 /nfs/dbraw/zinc/37/65/63/599376563.db2.gz WYQLSOIJQSGOEV-JTQLQIEISA-N -1 3 396.348 3.714 20 0 GHADHM CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820877017 599386935 /nfs/dbraw/zinc/38/69/35/599386935.db2.gz YEWXOIJLZDUPKT-OLZOCXBDSA-N -1 3 398.442 3.513 20 0 GHADHM CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820877017 599386938 /nfs/dbraw/zinc/38/69/38/599386938.db2.gz YEWXOIJLZDUPKT-OLZOCXBDSA-N -1 3 398.442 3.513 20 0 GHADHM CCCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821066639 599387027 /nfs/dbraw/zinc/38/70/27/599387027.db2.gz VNMULNUPTHKPMN-CYBMUJFWSA-N -1 3 398.442 3.515 20 0 GHADHM CCCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821066639 599387030 /nfs/dbraw/zinc/38/70/30/599387030.db2.gz VNMULNUPTHKPMN-CYBMUJFWSA-N -1 3 398.442 3.515 20 0 GHADHM Cc1ccc2c(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)cc(=O)oc2c1 ZINC000822275017 607373625 /nfs/dbraw/zinc/37/36/25/607373625.db2.gz NGUGLBMQUQGUGA-UHFFFAOYSA-N -1 3 391.431 3.681 20 0 GHADHM Cc1ccc2c(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000822275017 607373627 /nfs/dbraw/zinc/37/36/27/607373627.db2.gz NGUGLBMQUQGUGA-UHFFFAOYSA-N -1 3 391.431 3.681 20 0 GHADHM FC(F)(F)Oc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737628539 599402977 /nfs/dbraw/zinc/40/29/77/599402977.db2.gz XFNFIAPSHUMFLW-UHFFFAOYSA-N -1 3 386.337 3.926 20 0 GHADHM FC(F)(F)Oc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737628539 599402979 /nfs/dbraw/zinc/40/29/79/599402979.db2.gz XFNFIAPSHUMFLW-UHFFFAOYSA-N -1 3 386.337 3.926 20 0 GHADHM COc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737096792 599407319 /nfs/dbraw/zinc/40/73/19/599407319.db2.gz YRKABTACWUMDQK-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737096792 599407322 /nfs/dbraw/zinc/40/73/22/599407322.db2.gz YRKABTACWUMDQK-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736460609 599409797 /nfs/dbraw/zinc/40/97/97/599409797.db2.gz IAHCGHHDZIYYMF-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736460609 599409800 /nfs/dbraw/zinc/40/98/00/599409800.db2.gz IAHCGHHDZIYYMF-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM CCCn1ccc2ccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)cc21 ZINC000821147844 599411181 /nfs/dbraw/zinc/41/11/81/599411181.db2.gz JXZSQZYDYLVEDG-CQSZACIVSA-N -1 3 390.447 3.637 20 0 GHADHM CCCn1ccc2ccc(NC(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)cc21 ZINC000821147844 599411182 /nfs/dbraw/zinc/41/11/82/599411182.db2.gz JXZSQZYDYLVEDG-CQSZACIVSA-N -1 3 390.447 3.637 20 0 GHADHM Fc1ccccc1OC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000822796053 599421830 /nfs/dbraw/zinc/42/18/30/599421830.db2.gz LFPRXJUUNTWVHB-QGZVFWFLSA-N -1 3 379.395 3.509 20 0 GHADHM Fc1ccccc1OC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000822796053 599421832 /nfs/dbraw/zinc/42/18/32/599421832.db2.gz LFPRXJUUNTWVHB-QGZVFWFLSA-N -1 3 379.395 3.509 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820225807 599423991 /nfs/dbraw/zinc/42/39/91/599423991.db2.gz POGOTQGUXULZBX-CQSZACIVSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820225807 599423994 /nfs/dbraw/zinc/42/39/94/599423994.db2.gz POGOTQGUXULZBX-CQSZACIVSA-N -1 3 396.470 3.561 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(-c4nnn[n-]4)o3)s2)cc1 ZINC000821732176 599439899 /nfs/dbraw/zinc/43/98/99/599439899.db2.gz KYUGLNSYMTUBFL-NSHDSACASA-N -1 3 396.476 3.751 20 0 GHADHM C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[C@H]1C ZINC000820710410 599444072 /nfs/dbraw/zinc/44/40/72/599444072.db2.gz QGXSOMBQSIVOEH-KGLIPLIRSA-N -1 3 396.520 3.925 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821021250 599445985 /nfs/dbraw/zinc/44/59/85/599445985.db2.gz MRWDXJZHFRQNJW-FQEVSTJZSA-N -1 3 392.507 3.810 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821021250 599445987 /nfs/dbraw/zinc/44/59/87/599445987.db2.gz MRWDXJZHFRQNJW-FQEVSTJZSA-N -1 3 392.507 3.810 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n[nH]1 ZINC000821016039 599446117 /nfs/dbraw/zinc/44/61/17/599446117.db2.gz UYUILPDWDNMRBI-SCLBCKFNSA-N -1 3 397.483 3.536 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n[nH]1 ZINC000821016039 599446119 /nfs/dbraw/zinc/44/61/19/599446119.db2.gz UYUILPDWDNMRBI-SCLBCKFNSA-N -1 3 397.483 3.536 20 0 GHADHM COc1ccccc1-c1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821877097 599449816 /nfs/dbraw/zinc/44/98/16/599449816.db2.gz ATIWIFICLGBGQR-CQSZACIVSA-N -1 3 375.432 3.986 20 0 GHADHM O=C(Nc1cccc(Cl)c1SCC(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738182060 599469652 /nfs/dbraw/zinc/46/96/52/599469652.db2.gz DUGWKFOLHZWHQV-UHFFFAOYSA-N -1 3 396.810 3.525 20 0 GHADHM O=C(Nc1cccc(Cl)c1SCC(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738182060 599469656 /nfs/dbraw/zinc/46/96/56/599469656.db2.gz DUGWKFOLHZWHQV-UHFFFAOYSA-N -1 3 396.810 3.525 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820087754 599473186 /nfs/dbraw/zinc/47/31/86/599473186.db2.gz ZBQQKNVOHPKACL-QGZVFWFLSA-N -1 3 392.507 3.838 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820087754 599473189 /nfs/dbraw/zinc/47/31/89/599473189.db2.gz ZBQQKNVOHPKACL-QGZVFWFLSA-N -1 3 392.507 3.838 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913652 599477145 /nfs/dbraw/zinc/47/71/45/599477145.db2.gz IOAUNLKBQLDZLH-JXFKEZNVSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913652 599477147 /nfs/dbraw/zinc/47/71/47/599477147.db2.gz IOAUNLKBQLDZLH-JXFKEZNVSA-N -1 3 392.507 3.899 20 0 GHADHM C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340960 599482168 /nfs/dbraw/zinc/48/21/68/599482168.db2.gz OAZYEGSCMASTPG-KDOFPFPSSA-N -1 3 376.464 3.720 20 0 GHADHM C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340960 599482169 /nfs/dbraw/zinc/48/21/69/599482169.db2.gz OAZYEGSCMASTPG-KDOFPFPSSA-N -1 3 376.464 3.720 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737178168 599501786 /nfs/dbraw/zinc/50/17/86/599501786.db2.gz XXKUTDPBIOCCCM-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737178168 599501790 /nfs/dbraw/zinc/50/17/90/599501790.db2.gz XXKUTDPBIOCCCM-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1cc(Cl)cs1 ZINC000736037112 599515959 /nfs/dbraw/zinc/51/59/59/599515959.db2.gz JKIXEVVHFMRTGW-NSHDSACASA-N -1 3 392.868 3.525 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1cc(Cl)cs1 ZINC000736037112 599515961 /nfs/dbraw/zinc/51/59/61/599515961.db2.gz JKIXEVVHFMRTGW-NSHDSACASA-N -1 3 392.868 3.525 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419301 599518543 /nfs/dbraw/zinc/51/85/43/599518543.db2.gz PDPIYVJYEVPNCT-AWEZNQCLSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419301 599518545 /nfs/dbraw/zinc/51/85/45/599518545.db2.gz PDPIYVJYEVPNCT-AWEZNQCLSA-N -1 3 384.443 3.728 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1OC ZINC000737090616 599518606 /nfs/dbraw/zinc/51/86/06/599518606.db2.gz KTICIUVYNBOBHU-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM C[C@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314136 599521353 /nfs/dbraw/zinc/52/13/53/599521353.db2.gz HZRURYUQCLHFKP-HRAATJIYSA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314136 599521354 /nfs/dbraw/zinc/52/13/54/599521354.db2.gz HZRURYUQCLHFKP-HRAATJIYSA-N -1 3 399.454 3.864 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(c2cccs2)CCCCC1 ZINC000736819588 599541988 /nfs/dbraw/zinc/54/19/88/599541988.db2.gz DYCPXDPLMCDAIL-UHFFFAOYSA-N -1 3 381.505 3.789 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(c2cccs2)CCCCC1 ZINC000736819588 599541989 /nfs/dbraw/zinc/54/19/89/599541989.db2.gz DYCPXDPLMCDAIL-UHFFFAOYSA-N -1 3 381.505 3.789 20 0 GHADHM Cc1cccc(OCCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822327722 599545362 /nfs/dbraw/zinc/54/53/62/599545362.db2.gz JHEJGYFUZDPKQG-MRXNPFEDSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1cccc(OCCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822327722 599545365 /nfs/dbraw/zinc/54/53/65/599545365.db2.gz JHEJGYFUZDPKQG-MRXNPFEDSA-N -1 3 379.464 3.602 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820683646 599547075 /nfs/dbraw/zinc/54/70/75/599547075.db2.gz FEOFHZDMJYRZGM-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820683646 599547078 /nfs/dbraw/zinc/54/70/78/599547078.db2.gz FEOFHZDMJYRZGM-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820686566 599547958 /nfs/dbraw/zinc/54/79/58/599547958.db2.gz YKGVAIXARALZMR-HUUCEWRRSA-N -1 3 376.464 3.871 20 0 GHADHM O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823699126 599548475 /nfs/dbraw/zinc/54/84/75/599548475.db2.gz SRIJZUWGCAWPOE-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@H](c1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823699126 599548476 /nfs/dbraw/zinc/54/84/76/599548476.db2.gz SRIJZUWGCAWPOE-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737334524 599551165 /nfs/dbraw/zinc/55/11/65/599551165.db2.gz HVRRZPNOTBIYLZ-CQSZACIVSA-N -1 3 399.520 3.533 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737334524 599551167 /nfs/dbraw/zinc/55/11/67/599551167.db2.gz HVRRZPNOTBIYLZ-CQSZACIVSA-N -1 3 399.520 3.533 20 0 GHADHM C[C@H](c1ccncc1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736205163 599567336 /nfs/dbraw/zinc/56/73/36/599567336.db2.gz YLCXKEFMUVDQFV-OAHLLOKOSA-N -1 3 399.458 3.839 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736139930 599598293 /nfs/dbraw/zinc/59/82/93/599598293.db2.gz SAIZFLJPWSLZJT-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736139930 599598295 /nfs/dbraw/zinc/59/82/95/599598295.db2.gz SAIZFLJPWSLZJT-CYBMUJFWSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113434 599600585 /nfs/dbraw/zinc/60/05/85/599600585.db2.gz NTLUTMOWOSIQMQ-RYGJVYDSSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113434 599600586 /nfs/dbraw/zinc/60/05/86/599600586.db2.gz NTLUTMOWOSIQMQ-RYGJVYDSSA-N -1 3 390.491 3.638 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737056967 599610460 /nfs/dbraw/zinc/61/04/60/599610460.db2.gz FGTWMQINTNUQEU-HOCLYGCPSA-N -1 3 392.463 3.594 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737056967 599610462 /nfs/dbraw/zinc/61/04/62/599610462.db2.gz FGTWMQINTNUQEU-HOCLYGCPSA-N -1 3 392.463 3.594 20 0 GHADHM CO[C@@H](C)CCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000821673878 599626956 /nfs/dbraw/zinc/62/69/56/599626956.db2.gz NPBBGRRMMIMOKO-AWEZNQCLSA-N -1 3 398.488 3.741 20 0 GHADHM CO[C@@H](C)CCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000821673878 599626957 /nfs/dbraw/zinc/62/69/57/599626957.db2.gz NPBBGRRMMIMOKO-AWEZNQCLSA-N -1 3 398.488 3.741 20 0 GHADHM Cc1csc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822414594 599627211 /nfs/dbraw/zinc/62/72/11/599627211.db2.gz MDUNXDHQGRAWAC-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1csc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822414594 599627212 /nfs/dbraw/zinc/62/72/12/599627212.db2.gz MDUNXDHQGRAWAC-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(F)(F)F ZINC000820511926 599627632 /nfs/dbraw/zinc/62/76/32/599627632.db2.gz FNQSDLCCTMFQBD-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(F)(F)F ZINC000820511926 599627633 /nfs/dbraw/zinc/62/76/33/599627633.db2.gz FNQSDLCCTMFQBD-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM COc1cccc([C@H](C)OC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000821859618 599628093 /nfs/dbraw/zinc/62/80/93/599628093.db2.gz RCSKNTUDLDNLKI-LIRRHRJNSA-N -1 3 396.447 3.583 20 0 GHADHM COc1cccc([C@H](C)OC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000821859618 599628094 /nfs/dbraw/zinc/62/80/94/599628094.db2.gz RCSKNTUDLDNLKI-LIRRHRJNSA-N -1 3 396.447 3.583 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820938846 599628341 /nfs/dbraw/zinc/62/83/41/599628341.db2.gz NMVGKYKDLZLECF-SCRDCRAPSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820938846 599628342 /nfs/dbraw/zinc/62/83/42/599628342.db2.gz NMVGKYKDLZLECF-SCRDCRAPSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820938842 599628502 /nfs/dbraw/zinc/62/85/02/599628502.db2.gz NMVGKYKDLZLECF-DYEKYZERSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820938842 599628503 /nfs/dbraw/zinc/62/85/03/599628503.db2.gz NMVGKYKDLZLECF-DYEKYZERSA-N -1 3 389.525 3.729 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c(-c2nnn[n-]2)c1C ZINC000822557850 599628664 /nfs/dbraw/zinc/62/86/64/599628664.db2.gz KHALBEHIERLRCG-FOIQADDNSA-N -1 3 379.489 3.778 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c(-c2nn[n-]n2)c1C ZINC000822557850 599628665 /nfs/dbraw/zinc/62/86/65/599628665.db2.gz KHALBEHIERLRCG-FOIQADDNSA-N -1 3 379.489 3.778 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000821389186 599629539 /nfs/dbraw/zinc/62/95/39/599629539.db2.gz IFUKVZBHIYSNHG-BPUTZDHNSA-N -1 3 388.468 3.545 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000821389186 599629540 /nfs/dbraw/zinc/62/95/40/599629540.db2.gz IFUKVZBHIYSNHG-BPUTZDHNSA-N -1 3 388.468 3.545 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822293850 599630725 /nfs/dbraw/zinc/63/07/25/599630725.db2.gz ODFFYWNBCZIYMW-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(CCc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822983518 599633122 /nfs/dbraw/zinc/63/31/22/599633122.db2.gz PHDPNROIFSQNGK-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(CCc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822983518 599633123 /nfs/dbraw/zinc/63/31/23/599633123.db2.gz PHDPNROIFSQNGK-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2ncccc21 ZINC000823303146 599633315 /nfs/dbraw/zinc/63/33/15/599633315.db2.gz DQDZZCMPKQVIDT-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2ncccc21 ZINC000823303146 599633316 /nfs/dbraw/zinc/63/33/16/599633316.db2.gz DQDZZCMPKQVIDT-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823073812 599633919 /nfs/dbraw/zinc/63/39/19/599633919.db2.gz DOPDKCGPJPBTNP-UHFFFAOYSA-N -1 3 387.321 3.813 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823073812 599633920 /nfs/dbraw/zinc/63/39/20/599633920.db2.gz DOPDKCGPJPBTNP-UHFFFAOYSA-N -1 3 387.321 3.813 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cncc2ccccc21 ZINC000823303388 599635111 /nfs/dbraw/zinc/63/51/11/599635111.db2.gz HNVXIAVSCVIKDW-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cncc2ccccc21 ZINC000823303388 599635112 /nfs/dbraw/zinc/63/51/12/599635112.db2.gz HNVXIAVSCVIKDW-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CC(C)(C)[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000819899087 599636240 /nfs/dbraw/zinc/63/62/40/599636240.db2.gz NBORPNBKEPVULK-SFHVURJKSA-N -1 3 389.463 3.794 20 0 GHADHM c1ccc([C@@H](NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CCC2)cc1 ZINC000823772713 599638232 /nfs/dbraw/zinc/63/82/32/599638232.db2.gz MCLCAWAEAOADHY-LJQANCHMSA-N -1 3 387.447 3.548 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820967167 599648044 /nfs/dbraw/zinc/64/80/44/599648044.db2.gz LERAEDBWAAZVLR-DOMZBBRYSA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820967167 599648045 /nfs/dbraw/zinc/64/80/45/599648045.db2.gz LERAEDBWAAZVLR-DOMZBBRYSA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967751 599656121 /nfs/dbraw/zinc/65/61/21/599656121.db2.gz UZCCJUNEWBYORK-AUUYWEPGSA-N -1 3 376.464 3.871 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820967690 599656129 /nfs/dbraw/zinc/65/61/29/599656129.db2.gz TUUIUZAELRNQMP-DNVCBOLYSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820967690 599656130 /nfs/dbraw/zinc/65/61/30/599656130.db2.gz TUUIUZAELRNQMP-DNVCBOLYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358003 599673627 /nfs/dbraw/zinc/67/36/27/599673627.db2.gz LGMNZGKCMFMGOP-CQSZACIVSA-N -1 3 394.454 3.836 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358003 599673628 /nfs/dbraw/zinc/67/36/28/599673628.db2.gz LGMNZGKCMFMGOP-CQSZACIVSA-N -1 3 394.454 3.836 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)C(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352287 599673742 /nfs/dbraw/zinc/67/37/42/599673742.db2.gz SXBVCIVHHSNGLS-HUUCEWRRSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)C(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352287 599673743 /nfs/dbraw/zinc/67/37/43/599673743.db2.gz SXBVCIVHHSNGLS-HUUCEWRRSA-N -1 3 378.480 3.593 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820848256 599682933 /nfs/dbraw/zinc/68/29/33/599682933.db2.gz UNDVARQMXLXYHR-AWEZNQCLSA-N -1 3 399.520 3.594 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820848256 599682934 /nfs/dbraw/zinc/68/29/34/599682934.db2.gz UNDVARQMXLXYHR-AWEZNQCLSA-N -1 3 399.520 3.594 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Oc3ccccc3)ccn2)s1 ZINC000821465445 599689895 /nfs/dbraw/zinc/68/98/95/599689895.db2.gz HMMWIAVXOHIXSJ-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Oc3ccccc3)ccn2)s1 ZINC000821465445 599689896 /nfs/dbraw/zinc/68/98/96/599689896.db2.gz HMMWIAVXOHIXSJ-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM Cc1sc(NC(=O)c2cc(Oc3ccccc3)ccn2)c(-c2nnn[n-]2)c1C ZINC000822562631 599690027 /nfs/dbraw/zinc/69/00/27/599690027.db2.gz CDOUHQLTKGUSQN-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1sc(NC(=O)c2cc(Oc3ccccc3)ccn2)c(-c2nn[n-]n2)c1C ZINC000822562631 599690028 /nfs/dbraw/zinc/69/00/28/599690028.db2.gz CDOUHQLTKGUSQN-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1cccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n1 ZINC000822303447 599690639 /nfs/dbraw/zinc/69/06/39/599690639.db2.gz AQNLSKVJTLKERL-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM Brc1cccc(-c2cnc(CNc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000819689031 599691360 /nfs/dbraw/zinc/69/13/60/599691360.db2.gz SSAYGJRZDFZQNW-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820966398 599692508 /nfs/dbraw/zinc/69/25/08/599692508.db2.gz DVVBQFZKHJPXRT-BBRMVZONSA-N -1 3 393.451 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820966398 599692509 /nfs/dbraw/zinc/69/25/09/599692509.db2.gz DVVBQFZKHJPXRT-BBRMVZONSA-N -1 3 393.451 3.706 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000822427250 599697858 /nfs/dbraw/zinc/69/78/58/599697858.db2.gz GOFWYPRQISDXLC-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000822427250 599697859 /nfs/dbraw/zinc/69/78/59/599697859.db2.gz GOFWYPRQISDXLC-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822940810 599698204 /nfs/dbraw/zinc/69/82/04/599698204.db2.gz FMLSAVPCZGGHPX-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822940810 599698205 /nfs/dbraw/zinc/69/82/05/599698205.db2.gz FMLSAVPCZGGHPX-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821772491 607397253 /nfs/dbraw/zinc/39/72/53/607397253.db2.gz BQEZYOFSCNDRNP-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821772491 607397255 /nfs/dbraw/zinc/39/72/55/607397255.db2.gz BQEZYOFSCNDRNP-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2)CC1 ZINC000736797669 599932310 /nfs/dbraw/zinc/93/23/10/599932310.db2.gz NIVZTFSGWSAVJL-FQEVSTJZSA-N -1 3 381.476 3.980 20 0 GHADHM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000737875065 600066320 /nfs/dbraw/zinc/06/63/20/600066320.db2.gz YCDIRNLGHNKDEC-NTMALXAHSA-N -1 3 395.455 3.611 20 0 GHADHM CC[C@](NCc1cc(Br)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736918603 600131798 /nfs/dbraw/zinc/13/17/98/600131798.db2.gz UUZAFUWXHRFITJ-GOSISDBHSA-N -1 3 378.266 3.937 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)sc2nccc(C)c12 ZINC000826314921 607425769 /nfs/dbraw/zinc/42/57/69/607425769.db2.gz RSJQUTHIEKPMPD-UHFFFAOYSA-N -1 3 390.472 3.512 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)sc2nccc(C)c12 ZINC000826314921 607425771 /nfs/dbraw/zinc/42/57/71/607425771.db2.gz RSJQUTHIEKPMPD-UHFFFAOYSA-N -1 3 390.472 3.512 20 0 GHADHM C[C@@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2ccccc2c1 ZINC000824038932 607426410 /nfs/dbraw/zinc/42/64/10/607426410.db2.gz BCZWZWDCTVUSKG-OAHLLOKOSA-N -1 3 383.455 3.929 20 0 GHADHM C[C@@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2ccccc2c1 ZINC000824038932 607426412 /nfs/dbraw/zinc/42/64/12/607426412.db2.gz BCZWZWDCTVUSKG-OAHLLOKOSA-N -1 3 383.455 3.929 20 0 GHADHM CC(C)c1ccc(OCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824348001 607420975 /nfs/dbraw/zinc/42/09/75/607420975.db2.gz WJKSZRQRWRBRFG-UHFFFAOYSA-N -1 3 391.475 3.565 20 0 GHADHM CC(C)c1ccc(OCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824348001 607420977 /nfs/dbraw/zinc/42/09/77/607420977.db2.gz WJKSZRQRWRBRFG-UHFFFAOYSA-N -1 3 391.475 3.565 20 0 GHADHM CN(Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1)C(=O)[O-] ZINC000737482393 600341776 /nfs/dbraw/zinc/34/17/76/600341776.db2.gz LGARNXVXKNTRDI-FQEVSTJZSA-N -1 3 396.491 3.755 20 0 GHADHM CN(Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1)C(=O)[O-] ZINC000737481398 600342017 /nfs/dbraw/zinc/34/20/17/600342017.db2.gz GDPOMCRNVKMPSM-FQEVSTJZSA-N -1 3 396.491 3.583 20 0 GHADHM CCOC(=O)c1cn(Cc2c3ccccc3oc2C(=O)[O-])nc1C(F)(F)F ZINC000737155439 600378635 /nfs/dbraw/zinc/37/86/35/600378635.db2.gz WGGIQPAMTRKRLD-UHFFFAOYSA-N -1 3 382.294 3.571 20 0 GHADHM Cc1ccc(C(=O)NC2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000738515031 600399453 /nfs/dbraw/zinc/39/94/53/600399453.db2.gz OKHWKMVPSPGMBD-KRWDZBQOSA-N -1 3 392.908 3.730 20 0 GHADHM CC(C)C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824237023 607446137 /nfs/dbraw/zinc/44/61/37/607446137.db2.gz QJSPYGUGUFGXRN-LJQANCHMSA-N -1 3 390.491 3.942 20 0 GHADHM CC(C)C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824237023 607446138 /nfs/dbraw/zinc/44/61/38/607446138.db2.gz QJSPYGUGUFGXRN-LJQANCHMSA-N -1 3 390.491 3.942 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1 ZINC000824498485 607446434 /nfs/dbraw/zinc/44/64/34/607446434.db2.gz IDXAIFIPHDCZCE-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000824498485 607446436 /nfs/dbraw/zinc/44/64/36/607446436.db2.gz IDXAIFIPHDCZCE-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000825135039 607447905 /nfs/dbraw/zinc/44/79/05/607447905.db2.gz YQDRATMPPFUUDD-QGZVFWFLSA-N -1 3 396.882 3.960 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000825135039 607447907 /nfs/dbraw/zinc/44/79/07/607447907.db2.gz YQDRATMPPFUUDD-QGZVFWFLSA-N -1 3 396.882 3.960 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)CC2)CC1 ZINC000736767278 600509657 /nfs/dbraw/zinc/50/96/57/600509657.db2.gz BBFWFFOFIXWVLV-UHFFFAOYSA-N -1 3 379.888 3.766 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000832918077 600762696 /nfs/dbraw/zinc/76/26/96/600762696.db2.gz SMTAQQQYDVJRSW-HOTGVXAUSA-N -1 3 392.459 3.557 20 0 GHADHM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739639833 600909402 /nfs/dbraw/zinc/90/94/02/600909402.db2.gz COVXRRYZKNDDPX-MSOLQXFVSA-N -1 3 396.462 3.643 20 0 GHADHM c1cc(OCCSCc2noc(C3CCCCC3)n2)cc(-c2nnn[n-]2)c1 ZINC000823762703 607478576 /nfs/dbraw/zinc/47/85/76/607478576.db2.gz TUFAIUOAQYIXFK-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM c1cc(OCCSCc2noc(C3CCCCC3)n2)cc(-c2nn[n-]n2)c1 ZINC000823762703 607478578 /nfs/dbraw/zinc/47/85/78/607478578.db2.gz TUFAIUOAQYIXFK-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000822743697 607489047 /nfs/dbraw/zinc/48/90/47/607489047.db2.gz DPPMUTVTMQFIED-UHFFFAOYSA-N -1 3 389.438 3.818 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000822743697 607489048 /nfs/dbraw/zinc/48/90/48/607489048.db2.gz DPPMUTVTMQFIED-UHFFFAOYSA-N -1 3 389.438 3.818 20 0 GHADHM COc1ccccc1[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)N1CCCC1 ZINC000832597492 601245907 /nfs/dbraw/zinc/24/59/07/601245907.db2.gz YSIHPHPBWGKSIZ-LBPRGKRZSA-N -1 3 381.885 3.752 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCC1 ZINC000820629586 607500292 /nfs/dbraw/zinc/50/02/92/607500292.db2.gz YJGJDKYFKJPIAZ-UHFFFAOYSA-N -1 3 397.410 3.696 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCC1 ZINC000820629586 607500294 /nfs/dbraw/zinc/50/02/94/607500294.db2.gz YJGJDKYFKJPIAZ-UHFFFAOYSA-N -1 3 397.410 3.696 20 0 GHADHM Cc1ccc2cc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)ccc2n1 ZINC000822280448 607502411 /nfs/dbraw/zinc/50/24/11/607502411.db2.gz NXGVDBBWYLYIFP-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1ccc2cc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)ccc2n1 ZINC000822280448 607502412 /nfs/dbraw/zinc/50/24/12/607502412.db2.gz NXGVDBBWYLYIFP-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)ccc1C(=O)[O-] ZINC000832894412 601713422 /nfs/dbraw/zinc/71/34/22/601713422.db2.gz JGDVVCCQPBCSMF-UHFFFAOYSA-N -1 3 381.476 3.822 20 0 GHADHM O=C([O-])CC1(NCc2nc(-c3cccc(Br)c3)no2)CCCCC1 ZINC000833206066 601884496 /nfs/dbraw/zinc/88/44/96/601884496.db2.gz XLVXBWYLDGNXQO-UHFFFAOYSA-N -1 3 394.269 3.766 20 0 GHADHM Cc1c(F)cccc1NC(=O)CCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832854942 601902038 /nfs/dbraw/zinc/90/20/38/601902038.db2.gz YLHDNFNLBMCJJP-GOSISDBHSA-N -1 3 398.356 3.638 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000833141425 601950839 /nfs/dbraw/zinc/95/08/39/601950839.db2.gz UPDYPBCAGZBWJT-ZDUSSCGKSA-N -1 3 391.468 3.619 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1OC ZINC000830054307 602224963 /nfs/dbraw/zinc/22/49/63/602224963.db2.gz ZYUWWXPXRSQJKA-MRXNPFEDSA-N -1 3 378.494 3.806 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739055788 602276787 /nfs/dbraw/zinc/27/67/87/602276787.db2.gz CGLKMISFOGMPNA-BEFAXECRSA-N -1 3 394.475 3.684 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)cc(Br)c1 ZINC000826457073 607571791 /nfs/dbraw/zinc/57/17/91/607571791.db2.gz KUSJSOXQRADPAD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)cc(Br)c1 ZINC000826457073 607571793 /nfs/dbraw/zinc/57/17/93/607571793.db2.gz KUSJSOXQRADPAD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000825160198 607578027 /nfs/dbraw/zinc/57/80/27/607578027.db2.gz YDEWTERSXNPTGS-LBPRGKRZSA-N -1 3 385.518 3.774 20 0 GHADHM CC[C@H](SC)C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000825160198 607578029 /nfs/dbraw/zinc/57/80/29/607578029.db2.gz YDEWTERSXNPTGS-LBPRGKRZSA-N -1 3 385.518 3.774 20 0 GHADHM C[C@@H](CCNCc1csc(-c2cccc(Br)c2)n1)NC(=O)[O-] ZINC000738908563 602875895 /nfs/dbraw/zinc/87/58/95/602875895.db2.gz XKSHTAHLXPBCSY-JTQLQIEISA-N -1 3 384.299 3.708 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000740708098 603038855 /nfs/dbraw/zinc/03/88/55/603038855.db2.gz YHFIIWXOQZIJNR-OAHLLOKOSA-N -1 3 392.456 3.936 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739609754 603097832 /nfs/dbraw/zinc/09/78/32/603097832.db2.gz FYJFODUUXPWYRG-UHFFFAOYSA-N -1 3 379.416 3.787 20 0 GHADHM O=C([O-])NC[C@H]1CCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000832516130 603172952 /nfs/dbraw/zinc/17/29/52/603172952.db2.gz TVDUHGINIBWRJY-PBHICJAKSA-N -1 3 375.494 3.638 20 0 GHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(OCc2ccccn2)c1 ZINC000825503324 603538165 /nfs/dbraw/zinc/53/81/65/603538165.db2.gz QRPSQBQKKHQUJE-HNNXBMFYSA-N -1 3 378.432 3.996 20 0 GHADHM COc1ccc(OC)c(Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826211307 607644298 /nfs/dbraw/zinc/64/42/98/607644298.db2.gz XKBLAUAOYAAYJG-UHFFFAOYSA-N -1 3 380.433 3.751 20 0 GHADHM COc1ccc(OC)c(Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826211307 607644299 /nfs/dbraw/zinc/64/42/99/607644299.db2.gz XKBLAUAOYAAYJG-UHFFFAOYSA-N -1 3 380.433 3.751 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000826243817 607649335 /nfs/dbraw/zinc/64/93/35/607649335.db2.gz WQQFRXOEJBRZHX-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000826243817 607649336 /nfs/dbraw/zinc/64/93/36/607649336.db2.gz WQQFRXOEJBRZHX-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830182010 603887145 /nfs/dbraw/zinc/88/71/45/603887145.db2.gz MNHDNBMJPPJCDG-IBGZPJMESA-N -1 3 381.476 3.822 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825313308 607659814 /nfs/dbraw/zinc/65/98/14/607659814.db2.gz AFPUSKOERZOLTG-DLBZAZTESA-N -1 3 381.505 3.779 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000825313308 607659815 /nfs/dbraw/zinc/65/98/15/607659815.db2.gz AFPUSKOERZOLTG-DLBZAZTESA-N -1 3 381.505 3.779 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825435077 607661372 /nfs/dbraw/zinc/66/13/72/607661372.db2.gz LIUQNKPPKYTVEH-UHFFFAOYSA-N -1 3 389.381 3.856 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825435077 607661374 /nfs/dbraw/zinc/66/13/74/607661374.db2.gz LIUQNKPPKYTVEH-UHFFFAOYSA-N -1 3 389.381 3.856 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000826250554 607683409 /nfs/dbraw/zinc/68/34/09/607683409.db2.gz GUKNFPANODBMCY-UHFFFAOYSA-N -1 3 391.353 3.677 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000826250554 607683410 /nfs/dbraw/zinc/68/34/10/607683410.db2.gz GUKNFPANODBMCY-UHFFFAOYSA-N -1 3 391.353 3.677 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000826246783 607686678 /nfs/dbraw/zinc/68/66/78/607686678.db2.gz LFBHAPGHORPQMM-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000826246783 607686680 /nfs/dbraw/zinc/68/66/80/607686680.db2.gz LFBHAPGHORPQMM-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM CC[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082724 607692929 /nfs/dbraw/zinc/69/29/29/607692929.db2.gz VBIGAVPXIFXEEB-CABCVRRESA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082724 607692931 /nfs/dbraw/zinc/69/29/31/607692931.db2.gz VBIGAVPXIFXEEB-CABCVRRESA-N -1 3 379.464 3.636 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(OC)c1 ZINC000829666753 604511721 /nfs/dbraw/zinc/51/17/21/604511721.db2.gz QYFMEVLRZSXXGI-MRXNPFEDSA-N -1 3 391.493 3.660 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000826244721 607702872 /nfs/dbraw/zinc/70/28/72/607702872.db2.gz BMGMADCOOSNLOV-HSZRJFAPSA-N -1 3 387.487 3.685 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000826244721 607702874 /nfs/dbraw/zinc/70/28/74/607702874.db2.gz BMGMADCOOSNLOV-HSZRJFAPSA-N -1 3 387.487 3.685 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC2 ZINC000833772185 604648186 /nfs/dbraw/zinc/64/81/86/604648186.db2.gz ZOXXCRDVRXZAMN-DLBZAZTESA-N -1 3 379.884 3.585 20 0 GHADHM CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000833433479 604662645 /nfs/dbraw/zinc/66/26/45/604662645.db2.gz BIBHWMULZDKRSW-UHFFFAOYSA-N -1 3 388.508 3.996 20 0 GHADHM Cc1cc(COc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267500 607708885 /nfs/dbraw/zinc/70/88/85/607708885.db2.gz IRCNUCNDRWWKOS-UHFFFAOYSA-N -1 3 378.823 3.865 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)C1 ZINC000824928124 607709794 /nfs/dbraw/zinc/70/97/94/607709794.db2.gz RFQGKSJADPMZTC-CJNGLKHVSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)C1 ZINC000824928124 607709796 /nfs/dbraw/zinc/70/97/96/607709796.db2.gz RFQGKSJADPMZTC-CJNGLKHVSA-N -1 3 380.452 3.542 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000826471399 607724797 /nfs/dbraw/zinc/72/47/97/607724797.db2.gz XUYFIPOUBSMCAS-UHFFFAOYSA-N -1 3 386.459 3.933 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000826471399 607724799 /nfs/dbraw/zinc/72/47/99/607724799.db2.gz XUYFIPOUBSMCAS-UHFFFAOYSA-N -1 3 386.459 3.933 20 0 GHADHM CC(C)(C)C[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000833425645 605144298 /nfs/dbraw/zinc/14/42/98/605144298.db2.gz XLDFLQLLNCWMGD-QGZVFWFLSA-N -1 3 380.916 3.730 20 0 GHADHM CN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1nc2ccccc2s1 ZINC000833686278 605179530 /nfs/dbraw/zinc/17/95/30/605179530.db2.gz SMQAWNIRKUIZMA-GOSISDBHSA-N -1 3 397.500 3.701 20 0 GHADHM CCCc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)cc1 ZINC000825348048 607758900 /nfs/dbraw/zinc/75/89/00/607758900.db2.gz BFGWMKBQRGAXQC-UHFFFAOYSA-N -1 3 394.435 3.640 20 0 GHADHM CCCc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)cc1 ZINC000825348048 607758901 /nfs/dbraw/zinc/75/89/01/607758901.db2.gz BFGWMKBQRGAXQC-UHFFFAOYSA-N -1 3 394.435 3.640 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccs1 ZINC000824051796 607768588 /nfs/dbraw/zinc/76/85/88/607768588.db2.gz FBZLWHLADNLJDT-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccs1 ZINC000824051796 607768589 /nfs/dbraw/zinc/76/85/89/607768589.db2.gz FBZLWHLADNLJDT-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM Cc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)ccc1NC(=O)[O-] ZINC000829929751 605699572 /nfs/dbraw/zinc/69/95/72/605699572.db2.gz BYUCECFINVXREO-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM Cc1nccn1-c1ccc(CN[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cc1F ZINC000833917612 605793649 /nfs/dbraw/zinc/79/36/49/605793649.db2.gz HGYZWBJYRSVDCY-RTBURBONSA-N -1 3 380.423 3.863 20 0 GHADHM COc1cccc(CN(Cc2cc(C(=O)[O-])ccc2F)C2CCC(O)CC2)c1 ZINC000833735113 605836611 /nfs/dbraw/zinc/83/66/11/605836611.db2.gz GBIAYSADHFEVOO-UHFFFAOYSA-N -1 3 387.451 3.838 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1F)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000833694220 605838726 /nfs/dbraw/zinc/83/87/26/605838726.db2.gz FIJSWXKBRUBFNN-UHFFFAOYSA-N -1 3 380.460 3.792 20 0 GHADHM O=C([O-])N1CCC([C@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2ccc(F)cc2)CC1 ZINC000834076271 605983616 /nfs/dbraw/zinc/98/36/16/605983616.db2.gz XELMMDYDUQUFJY-PWRODBHTSA-N -1 3 384.451 3.505 20 0 GHADHM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000833906612 606011851 /nfs/dbraw/zinc/01/18/51/606011851.db2.gz IETOJQWDCUXIIM-UHFFFAOYSA-N -1 3 382.464 3.655 20 0 GHADHM C[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820243153 606028763 /nfs/dbraw/zinc/02/87/63/606028763.db2.gz WSRSKOPUTXSRRN-GFCCVEGCSA-N -1 3 389.381 3.809 20 0 GHADHM C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820243153 606028765 /nfs/dbraw/zinc/02/87/65/606028765.db2.gz WSRSKOPUTXSRRN-GFCCVEGCSA-N -1 3 389.381 3.809 20 0 GHADHM CC[C@@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820987746 606030264 /nfs/dbraw/zinc/03/02/64/606030264.db2.gz BEPWJOGJPAKVNV-WIYYLYMNSA-N -1 3 389.503 3.842 20 0 GHADHM CC[C@@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820987746 606030270 /nfs/dbraw/zinc/03/02/70/606030270.db2.gz BEPWJOGJPAKVNV-WIYYLYMNSA-N -1 3 389.503 3.842 20 0 GHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821139163 606033124 /nfs/dbraw/zinc/03/31/24/606033124.db2.gz QLTCKAPUHSESGW-GOSISDBHSA-N -1 3 394.479 3.568 20 0 GHADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821139163 606033130 /nfs/dbraw/zinc/03/31/30/606033130.db2.gz QLTCKAPUHSESGW-GOSISDBHSA-N -1 3 394.479 3.568 20 0 GHADHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1OC(F)F ZINC000821824848 606041914 /nfs/dbraw/zinc/04/19/14/606041914.db2.gz OUGJDTTTZXRUQD-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1OC(F)F ZINC000821824848 606041918 /nfs/dbraw/zinc/04/19/18/606041918.db2.gz OUGJDTTTZXRUQD-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCC4)c2c1 ZINC000822274736 606055714 /nfs/dbraw/zinc/05/57/14/606055714.db2.gz HLFXPKWCWLEUNX-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCC4)c2c1 ZINC000822274736 606055719 /nfs/dbraw/zinc/05/57/19/606055719.db2.gz HLFXPKWCWLEUNX-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000820542823 606065650 /nfs/dbraw/zinc/06/56/50/606065650.db2.gz RDKACZIEPTUSKZ-LLVKDONJSA-N -1 3 398.854 3.500 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000820542823 606065656 /nfs/dbraw/zinc/06/56/56/606065656.db2.gz RDKACZIEPTUSKZ-LLVKDONJSA-N -1 3 398.854 3.500 20 0 GHADHM c1ccc2nc(N3CCC(OCC4CCCCC4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802585 606094452 /nfs/dbraw/zinc/09/44/52/606094452.db2.gz UBPWCUDRQRHQBF-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM c1ccc2nc(N3CCC(OCC4CCCCC4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802585 606094457 /nfs/dbraw/zinc/09/44/57/606094457.db2.gz UBPWCUDRQRHQBF-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000819857574 606102443 /nfs/dbraw/zinc/10/24/43/606102443.db2.gz SLSXNBGXKTXTGN-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000819857574 606102445 /nfs/dbraw/zinc/10/24/45/606102445.db2.gz SLSXNBGXKTXTGN-NSHDSACASA-N -1 3 390.274 3.936 20 0 GHADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821882810 606105016 /nfs/dbraw/zinc/10/50/16/606105016.db2.gz LHBSYEQMZMPJRD-LJQANCHMSA-N -1 3 393.491 3.712 20 0 GHADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821882810 606105018 /nfs/dbraw/zinc/10/50/18/606105018.db2.gz LHBSYEQMZMPJRD-LJQANCHMSA-N -1 3 393.491 3.712 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821043381 606134871 /nfs/dbraw/zinc/13/48/71/606134871.db2.gz OKTLPSJDKZHNBS-QFQMRYFISA-N -1 3 377.448 3.620 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821043381 606134873 /nfs/dbraw/zinc/13/48/73/606134873.db2.gz OKTLPSJDKZHNBS-QFQMRYFISA-N -1 3 377.448 3.620 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000823108718 606146764 /nfs/dbraw/zinc/14/67/64/606146764.db2.gz PXAQMWUJIDHEIL-UHFFFAOYSA-N -1 3 398.422 3.502 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000823108718 606146766 /nfs/dbraw/zinc/14/67/66/606146766.db2.gz PXAQMWUJIDHEIL-UHFFFAOYSA-N -1 3 398.422 3.502 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000820287572 606177980 /nfs/dbraw/zinc/17/79/80/606177980.db2.gz NULUSPPTDZEMKV-MNOVXSKESA-N -1 3 392.868 3.696 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000820287572 606177981 /nfs/dbraw/zinc/17/79/81/606177981.db2.gz NULUSPPTDZEMKV-MNOVXSKESA-N -1 3 392.868 3.696 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000822505312 606207643 /nfs/dbraw/zinc/20/76/43/606207643.db2.gz IEOWPXARERIDFA-CYBMUJFWSA-N -1 3 398.430 3.698 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000822505312 606207645 /nfs/dbraw/zinc/20/76/45/606207645.db2.gz IEOWPXARERIDFA-CYBMUJFWSA-N -1 3 398.430 3.698 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)c(C)c1 ZINC000822194044 606213825 /nfs/dbraw/zinc/21/38/25/606213825.db2.gz GRXQJRLTYLARGT-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)c(C)c1 ZINC000822194044 606213826 /nfs/dbraw/zinc/21/38/26/606213826.db2.gz GRXQJRLTYLARGT-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM CC(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccnc1 ZINC000820020431 606229338 /nfs/dbraw/zinc/22/93/38/606229338.db2.gz GINMPEKNUFQELH-CYBMUJFWSA-N -1 3 377.374 3.527 20 0 GHADHM CC(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccnc1 ZINC000820020431 606229339 /nfs/dbraw/zinc/22/93/39/606229339.db2.gz GINMPEKNUFQELH-CYBMUJFWSA-N -1 3 377.374 3.527 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820121660 606231955 /nfs/dbraw/zinc/23/19/55/606231955.db2.gz UHQWVENQFKRRBB-UHFFFAOYSA-N -1 3 393.278 3.563 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820121660 606231957 /nfs/dbraw/zinc/23/19/57/606231957.db2.gz UHQWVENQFKRRBB-UHFFFAOYSA-N -1 3 393.278 3.563 20 0 GHADHM CCC(=O)[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820833037 606236559 /nfs/dbraw/zinc/23/65/59/606236559.db2.gz QVBYZMRIKIMCEE-GFCCVEGCSA-N -1 3 382.445 3.542 20 0 GHADHM CCC(=O)[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820833037 606236560 /nfs/dbraw/zinc/23/65/60/606236560.db2.gz QVBYZMRIKIMCEE-GFCCVEGCSA-N -1 3 382.445 3.542 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612800 606249397 /nfs/dbraw/zinc/24/93/97/606249397.db2.gz JJRKYFVGBGBXBC-OAQYLSRUSA-N -1 3 376.464 3.743 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612800 606249398 /nfs/dbraw/zinc/24/93/98/606249398.db2.gz JJRKYFVGBGBXBC-OAQYLSRUSA-N -1 3 376.464 3.743 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375841 606250204 /nfs/dbraw/zinc/25/02/04/606250204.db2.gz LUAZMSGDSAOJIE-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375841 606250205 /nfs/dbraw/zinc/25/02/05/606250205.db2.gz LUAZMSGDSAOJIE-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccc(F)cn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823346724 606259370 /nfs/dbraw/zinc/25/93/70/606259370.db2.gz PTKHVBQDEBSWEV-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(F)cn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823346724 606259371 /nfs/dbraw/zinc/25/93/71/606259371.db2.gz PTKHVBQDEBSWEV-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(NCCC(F)(F)F)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823182305 606289511 /nfs/dbraw/zinc/28/95/11/606289511.db2.gz KTWGLZBPOJSIFB-UHFFFAOYSA-N -1 3 393.394 3.700 20 0 GHADHM O=C(NCCC(F)(F)F)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823182305 606289513 /nfs/dbraw/zinc/28/95/13/606289513.db2.gz KTWGLZBPOJSIFB-UHFFFAOYSA-N -1 3 393.394 3.700 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OCCC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645433 606310417 /nfs/dbraw/zinc/31/04/17/606310417.db2.gz ZKUDDQVRALIPCE-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OCCC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645433 606310419 /nfs/dbraw/zinc/31/04/19/606310419.db2.gz ZKUDDQVRALIPCE-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1coc2cc(F)ccc12 ZINC000820115915 606318015 /nfs/dbraw/zinc/31/80/15/606318015.db2.gz BRUTYJLWPDDUOM-UHFFFAOYSA-N -1 3 393.422 3.732 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1coc2cc(F)ccc12 ZINC000820115915 606318016 /nfs/dbraw/zinc/31/80/16/606318016.db2.gz BRUTYJLWPDDUOM-UHFFFAOYSA-N -1 3 393.422 3.732 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553734 606348822 /nfs/dbraw/zinc/34/88/22/606348822.db2.gz PWTDBLFXDDAQJG-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553734 606348824 /nfs/dbraw/zinc/34/88/24/606348824.db2.gz PWTDBLFXDDAQJG-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822427048 606350577 /nfs/dbraw/zinc/35/05/77/606350577.db2.gz AYTLRJBOIMIVDV-SNVBAGLBSA-N -1 3 377.326 3.507 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822427048 606350579 /nfs/dbraw/zinc/35/05/79/606350579.db2.gz AYTLRJBOIMIVDV-SNVBAGLBSA-N -1 3 377.326 3.507 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820919443 606358813 /nfs/dbraw/zinc/35/88/13/606358813.db2.gz BZAYSOUPKAYLEP-CQSZACIVSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820919443 606358816 /nfs/dbraw/zinc/35/88/16/606358816.db2.gz BZAYSOUPKAYLEP-CQSZACIVSA-N -1 3 376.342 3.557 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cnc2ccccc12 ZINC000822021005 606372780 /nfs/dbraw/zinc/37/27/80/606372780.db2.gz RBBXKZWAARHXJL-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cnc2ccccc12 ZINC000822021005 606372781 /nfs/dbraw/zinc/37/27/81/606372781.db2.gz RBBXKZWAARHXJL-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454018 606391952 /nfs/dbraw/zinc/39/19/52/606391952.db2.gz CMRJCPYUPGKCIH-CMPLNLGQSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454018 606391953 /nfs/dbraw/zinc/39/19/53/606391953.db2.gz CMRJCPYUPGKCIH-CMPLNLGQSA-N -1 3 396.973 3.871 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@@H](c2ccc(-c3nnn[n-]3)s2)N1CC1CC1 ZINC000823551079 606394591 /nfs/dbraw/zinc/39/45/91/606394591.db2.gz DPONNHCAGNIRHO-MRXNPFEDSA-N -1 3 386.868 3.558 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(F)c1 ZINC000820226442 606397383 /nfs/dbraw/zinc/39/73/83/606397383.db2.gz VMHOLZXNNXWFHG-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(F)c1 ZINC000820226442 606397384 /nfs/dbraw/zinc/39/73/84/606397384.db2.gz VMHOLZXNNXWFHG-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822486291 606398573 /nfs/dbraw/zinc/39/85/73/606398573.db2.gz FDKRNWBKHYMCGB-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822486291 606398574 /nfs/dbraw/zinc/39/85/74/606398574.db2.gz FDKRNWBKHYMCGB-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820340916 606441172 /nfs/dbraw/zinc/44/11/72/606441172.db2.gz NSDXYXWFYKSHIU-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820340916 606441173 /nfs/dbraw/zinc/44/11/73/606441173.db2.gz NSDXYXWFYKSHIU-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CCN(CC)C(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821175442 606448587 /nfs/dbraw/zinc/44/85/87/606448587.db2.gz NGYBHHVKOLZMSB-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCN(CC)C(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821175442 606448589 /nfs/dbraw/zinc/44/85/89/606448589.db2.gz NGYBHHVKOLZMSB-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440122 606465826 /nfs/dbraw/zinc/46/58/26/606465826.db2.gz CWSTZLCAECFACV-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440122 606465827 /nfs/dbraw/zinc/46/58/27/606465827.db2.gz CWSTZLCAECFACV-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823732395 606473266 /nfs/dbraw/zinc/47/32/66/606473266.db2.gz LXANBMLLJLDEOF-KGLIPLIRSA-N -1 3 394.957 3.577 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823732395 606473267 /nfs/dbraw/zinc/47/32/67/606473267.db2.gz LXANBMLLJLDEOF-KGLIPLIRSA-N -1 3 394.957 3.577 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000819975972 606479355 /nfs/dbraw/zinc/47/93/55/606479355.db2.gz GNCSMQVERPXGIM-CYBMUJFWSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000819975972 606479357 /nfs/dbraw/zinc/47/93/57/606479357.db2.gz GNCSMQVERPXGIM-CYBMUJFWSA-N -1 3 399.421 3.666 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822424163 606497676 /nfs/dbraw/zinc/49/76/76/606497676.db2.gz SIBBAIYMFZOSCC-SNVBAGLBSA-N -1 3 396.501 3.851 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822424163 606497678 /nfs/dbraw/zinc/49/76/78/606497678.db2.gz SIBBAIYMFZOSCC-SNVBAGLBSA-N -1 3 396.501 3.851 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1c(F)cccc1Br ZINC000823333167 606499494 /nfs/dbraw/zinc/49/94/94/606499494.db2.gz ZEPPEJGQINMZRO-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1c(F)cccc1Br ZINC000823333167 606499495 /nfs/dbraw/zinc/49/94/95/606499495.db2.gz ZEPPEJGQINMZRO-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821614658 606502777 /nfs/dbraw/zinc/50/27/77/606502777.db2.gz PHDIAPXEGFDHSL-UHFFFAOYSA-N -1 3 375.457 3.867 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821614658 606502778 /nfs/dbraw/zinc/50/27/78/606502778.db2.gz PHDIAPXEGFDHSL-UHFFFAOYSA-N -1 3 375.457 3.867 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823140736 606517046 /nfs/dbraw/zinc/51/70/46/606517046.db2.gz YYOQOAYUWUIWLK-NSHDSACASA-N -1 3 387.774 3.615 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823140736 606517047 /nfs/dbraw/zinc/51/70/47/606517047.db2.gz YYOQOAYUWUIWLK-NSHDSACASA-N -1 3 387.774 3.615 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCCC1 ZINC000819867982 606524322 /nfs/dbraw/zinc/52/43/22/606524322.db2.gz WNIHLFPOJBLFOW-CYBMUJFWSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCCC1 ZINC000819867982 606524323 /nfs/dbraw/zinc/52/43/23/606524323.db2.gz WNIHLFPOJBLFOW-CYBMUJFWSA-N -1 3 378.436 3.819 20 0 GHADHM c1ccc(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC2CCC2)cc1 ZINC000823788269 606527282 /nfs/dbraw/zinc/52/72/82/606527282.db2.gz WPUOMPKAALUGDS-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM c1ccc(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC2CCC2)cc1 ZINC000823788269 606527284 /nfs/dbraw/zinc/52/72/84/606527284.db2.gz WPUOMPKAALUGDS-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000823092576 606533294 /nfs/dbraw/zinc/53/32/94/606533294.db2.gz GWTJLFDIMUXBOL-UHFFFAOYSA-N -1 3 393.466 3.567 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000823092576 606533296 /nfs/dbraw/zinc/53/32/96/606533296.db2.gz GWTJLFDIMUXBOL-UHFFFAOYSA-N -1 3 393.466 3.567 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822206239 606557280 /nfs/dbraw/zinc/55/72/80/606557280.db2.gz ZLEPSXOCBGZROQ-RUYXUALKSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822206239 606557281 /nfs/dbraw/zinc/55/72/81/606557281.db2.gz ZLEPSXOCBGZROQ-RUYXUALKSA-N -1 3 391.450 3.894 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000823092096 606562719 /nfs/dbraw/zinc/56/27/19/606562719.db2.gz BQZXMXDYLOQSJR-OAHLLOKOSA-N -1 3 388.258 3.520 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000823092096 606562720 /nfs/dbraw/zinc/56/27/20/606562720.db2.gz BQZXMXDYLOQSJR-OAHLLOKOSA-N -1 3 388.258 3.520 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1Br ZINC000820508077 606570015 /nfs/dbraw/zinc/57/00/15/606570015.db2.gz MASASGCTLLXBPL-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1Br ZINC000820508077 606570017 /nfs/dbraw/zinc/57/00/17/606570017.db2.gz MASASGCTLLXBPL-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823303925 606571158 /nfs/dbraw/zinc/57/11/58/606571158.db2.gz YVOBRNDQKFRJKF-UHFFFAOYSA-N -1 3 388.781 3.716 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823303925 606571160 /nfs/dbraw/zinc/57/11/60/606571160.db2.gz YVOBRNDQKFRJKF-UHFFFAOYSA-N -1 3 388.781 3.716 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000820527219 606584180 /nfs/dbraw/zinc/58/41/80/606584180.db2.gz KIWIBQAZVJFNGF-ZDUSSCGKSA-N -1 3 393.447 3.502 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000823103234 606596921 /nfs/dbraw/zinc/59/69/21/606596921.db2.gz ASUCPQSNRAQPTF-UHFFFAOYSA-N -1 3 397.307 3.702 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000823103234 606596922 /nfs/dbraw/zinc/59/69/22/606596922.db2.gz ASUCPQSNRAQPTF-UHFFFAOYSA-N -1 3 397.307 3.702 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1ccc(Cl)nc1 ZINC000822732617 606599090 /nfs/dbraw/zinc/59/90/90/606599090.db2.gz MLYIFTMVNSYSLI-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1ccc(Cl)nc1 ZINC000822732617 606599092 /nfs/dbraw/zinc/59/90/92/606599092.db2.gz MLYIFTMVNSYSLI-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM Clc1ccc(O[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)cc1Cl ZINC000822578639 606610397 /nfs/dbraw/zinc/61/03/97/606610397.db2.gz MLHGOLDRPWFSMJ-GFCCVEGCSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccc(O[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)cc1Cl ZINC000822578639 606610399 /nfs/dbraw/zinc/61/03/99/606610399.db2.gz MLHGOLDRPWFSMJ-GFCCVEGCSA-N -1 3 391.262 3.616 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000820557003 606630068 /nfs/dbraw/zinc/63/00/68/606630068.db2.gz XDNZNVAMWYFJMN-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000820557003 606630069 /nfs/dbraw/zinc/63/00/69/606630069.db2.gz XDNZNVAMWYFJMN-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821457444 606631819 /nfs/dbraw/zinc/63/18/19/606631819.db2.gz WSZFLCKHDCIGOA-KGLIPLIRSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821457444 606631821 /nfs/dbraw/zinc/63/18/21/606631821.db2.gz WSZFLCKHDCIGOA-KGLIPLIRSA-N -1 3 391.545 3.609 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822449544 606645728 /nfs/dbraw/zinc/64/57/28/606645728.db2.gz DDNOYFOSUHNWTO-UHFFFAOYSA-N -1 3 388.762 3.556 20 0 GHADHM Cc1nc(Cl)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822449544 606645729 /nfs/dbraw/zinc/64/57/29/606645729.db2.gz DDNOYFOSUHNWTO-UHFFFAOYSA-N -1 3 388.762 3.556 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCOCC1 ZINC000820513193 606654217 /nfs/dbraw/zinc/65/42/17/606654217.db2.gz XBTFDDTWUPYQTA-CQSZACIVSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820513193 606654218 /nfs/dbraw/zinc/65/42/18/606654218.db2.gz XBTFDDTWUPYQTA-CQSZACIVSA-N -1 3 394.431 3.631 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823303436 606658453 /nfs/dbraw/zinc/65/84/53/606658453.db2.gz IKUPQOXTLJZFHZ-YGRLFVJLSA-N -1 3 380.374 3.682 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823303436 606658454 /nfs/dbraw/zinc/65/84/54/606658454.db2.gz IKUPQOXTLJZFHZ-YGRLFVJLSA-N -1 3 380.374 3.682 20 0 GHADHM O=Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000823551158 606660172 /nfs/dbraw/zinc/66/01/72/606660172.db2.gz HKJYUTTTWFVIAJ-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM O=Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000823551158 606660173 /nfs/dbraw/zinc/66/01/73/606660173.db2.gz HKJYUTTTWFVIAJ-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM O=C(NC(c1ccccc1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823140187 606663728 /nfs/dbraw/zinc/66/37/28/606663728.db2.gz RBQNSHVQLSDWIM-UHFFFAOYSA-N -1 3 391.381 3.664 20 0 GHADHM O=C(NC(c1ccccc1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823140187 606663729 /nfs/dbraw/zinc/66/37/29/606663729.db2.gz RBQNSHVQLSDWIM-UHFFFAOYSA-N -1 3 391.381 3.664 20 0 GHADHM Cc1sc(NC(=O)c2cnc(Cc3ccccc3)s2)c(-c2nnn[n-]2)c1C ZINC000822563757 606664825 /nfs/dbraw/zinc/66/48/25/606664825.db2.gz NOILEKRKHMNWLR-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM Cc1sc(NC(=O)c2cnc(Cc3ccccc3)s2)c(-c2nn[n-]n2)c1C ZINC000822563757 606664826 /nfs/dbraw/zinc/66/48/26/606664826.db2.gz NOILEKRKHMNWLR-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C[C@H]1CCCCO1 ZINC000822211623 606674114 /nfs/dbraw/zinc/67/41/14/606674114.db2.gz HZSGFDKIHCUXJT-QGZVFWFLSA-N -1 3 393.447 3.865 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C[C@H]1CCCCO1 ZINC000822211623 606674115 /nfs/dbraw/zinc/67/41/15/606674115.db2.gz HZSGFDKIHCUXJT-QGZVFWFLSA-N -1 3 393.447 3.865 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323413 606682170 /nfs/dbraw/zinc/68/21/70/606682170.db2.gz NHFFKDOHFGQMIB-UHFFFAOYSA-N -1 3 399.401 3.856 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823323413 606682171 /nfs/dbraw/zinc/68/21/71/606682171.db2.gz NHFFKDOHFGQMIB-UHFFFAOYSA-N -1 3 399.401 3.856 20 0 GHADHM CCOc1cccc([C@@H](CC)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821427281 606685759 /nfs/dbraw/zinc/68/57/59/606685759.db2.gz QMYUFIWYERMTQE-MRXNPFEDSA-N -1 3 388.374 3.852 20 0 GHADHM CCOc1cccc([C@@H](CC)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821427281 606685760 /nfs/dbraw/zinc/68/57/60/606685760.db2.gz QMYUFIWYERMTQE-MRXNPFEDSA-N -1 3 388.374 3.852 20 0 GHADHM C[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820497515 606686368 /nfs/dbraw/zinc/68/63/68/606686368.db2.gz SPZMKCGZXSDCEI-LLVKDONJSA-N -1 3 390.415 3.683 20 0 GHADHM C[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820497515 606686369 /nfs/dbraw/zinc/68/63/69/606686369.db2.gz SPZMKCGZXSDCEI-LLVKDONJSA-N -1 3 390.415 3.683 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCC(C)(C)CC1 ZINC000821569291 606691026 /nfs/dbraw/zinc/69/10/26/606691026.db2.gz DVTXQCCUMKACPP-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCC(C)(C)CC1 ZINC000821569291 606691027 /nfs/dbraw/zinc/69/10/27/606691027.db2.gz DVTXQCCUMKACPP-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000821412110 606701268 /nfs/dbraw/zinc/70/12/68/606701268.db2.gz ICIOVFJLYVVCFU-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000821412110 606701269 /nfs/dbraw/zinc/70/12/69/606701269.db2.gz ICIOVFJLYVVCFU-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM COCC[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821686063 606712590 /nfs/dbraw/zinc/71/25/90/606712590.db2.gz ZQYILBZDWHXMBK-CYBMUJFWSA-N -1 3 387.871 3.936 20 0 GHADHM COCC[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821686063 606712592 /nfs/dbraw/zinc/71/25/92/606712592.db2.gz ZQYILBZDWHXMBK-CYBMUJFWSA-N -1 3 387.871 3.936 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(OC[C@H]2CCOC2)c1 ZINC000822238304 606726350 /nfs/dbraw/zinc/72/63/50/606726350.db2.gz AVNZFNRCONIGSW-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(OC[C@H]2CCOC2)c1 ZINC000822238304 606726351 /nfs/dbraw/zinc/72/63/51/606726351.db2.gz AVNZFNRCONIGSW-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1cccc(C)c1OC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000822293637 606733901 /nfs/dbraw/zinc/73/39/01/606733901.db2.gz FLIYTZOGGZVVRB-IBGZPJMESA-N -1 3 389.459 3.986 20 0 GHADHM Cc1cccc(C)c1OC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000822293637 606733902 /nfs/dbraw/zinc/73/39/02/606733902.db2.gz FLIYTZOGGZVVRB-IBGZPJMESA-N -1 3 389.459 3.986 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Br)s1 ZINC000822183316 606736995 /nfs/dbraw/zinc/73/69/95/606736995.db2.gz FUFSFCACTYNQRN-VIFPVBQESA-N -1 3 393.266 3.917 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000822183316 606736996 /nfs/dbraw/zinc/73/69/96/606736996.db2.gz FUFSFCACTYNQRN-VIFPVBQESA-N -1 3 393.266 3.917 20 0 GHADHM O=C(C[C@@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822941174 606754318 /nfs/dbraw/zinc/75/43/18/606754318.db2.gz SHDWSYXRGDLQCG-KRWDZBQOSA-N -1 3 378.432 3.536 20 0 GHADHM O=C(C[C@@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822941174 606754319 /nfs/dbraw/zinc/75/43/19/606754319.db2.gz SHDWSYXRGDLQCG-KRWDZBQOSA-N -1 3 378.432 3.536 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cccc1C(F)(F)F ZINC000822076755 606772160 /nfs/dbraw/zinc/77/21/60/606772160.db2.gz RPISYCTUFGDWKZ-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822076755 606772161 /nfs/dbraw/zinc/77/21/61/606772161.db2.gz RPISYCTUFGDWKZ-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@H]2CCC[C@H]21 ZINC000823367983 606772479 /nfs/dbraw/zinc/77/24/79/606772479.db2.gz PQPHHQLRWYGBBM-RDTXWAMCSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCC[C@H]21 ZINC000823367983 606772480 /nfs/dbraw/zinc/77/24/80/606772480.db2.gz PQPHHQLRWYGBBM-RDTXWAMCSA-N -1 3 376.420 3.675 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCc2ccco2)cc1 ZINC000822144379 606776116 /nfs/dbraw/zinc/77/61/16/606776116.db2.gz LSODVJWQVDYQHM-UHFFFAOYSA-N -1 3 389.415 3.533 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCc2ccco2)cc1 ZINC000822144379 606776117 /nfs/dbraw/zinc/77/61/17/606776117.db2.gz LSODVJWQVDYQHM-UHFFFAOYSA-N -1 3 389.415 3.533 20 0 GHADHM CCc1cccc(CC)c1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821492275 606780543 /nfs/dbraw/zinc/78/05/43/606780543.db2.gz KAQISNJKJVUUDB-UHFFFAOYSA-N -1 3 385.855 3.662 20 0 GHADHM CCc1cccc(CC)c1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821492275 606780544 /nfs/dbraw/zinc/78/05/44/606780544.db2.gz KAQISNJKJVUUDB-UHFFFAOYSA-N -1 3 385.855 3.662 20 0 GHADHM CCc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(-c2ccccn2)n1 ZINC000821476569 606789435 /nfs/dbraw/zinc/78/94/35/606789435.db2.gz POFPFKSGKDYVCY-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM CCc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(-c2ccccn2)n1 ZINC000821476569 606789437 /nfs/dbraw/zinc/78/94/37/606789437.db2.gz POFPFKSGKDYVCY-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM CCOc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1OC(F)F ZINC000821431280 606799497 /nfs/dbraw/zinc/79/94/97/606799497.db2.gz OJBLMQSUZKSGFS-UHFFFAOYSA-N -1 3 396.785 3.527 20 0 GHADHM CCOc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1OC(F)F ZINC000821431280 606799498 /nfs/dbraw/zinc/79/94/98/606799498.db2.gz OJBLMQSUZKSGFS-UHFFFAOYSA-N -1 3 396.785 3.527 20 0 GHADHM O=C(OC[C@@H]1CCSC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823401592 606802447 /nfs/dbraw/zinc/80/24/47/606802447.db2.gz XVIBZJOHYASKOQ-ZDUSSCGKSA-N -1 3 382.445 3.569 20 0 GHADHM O=C(OC[C@@H]1CCSC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823401592 606802448 /nfs/dbraw/zinc/80/24/48/606802448.db2.gz XVIBZJOHYASKOQ-ZDUSSCGKSA-N -1 3 382.445 3.569 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCSC1 ZINC000822205669 606806583 /nfs/dbraw/zinc/80/65/83/606806583.db2.gz DGHWJPJSYHKLAB-INIZCTEOSA-N -1 3 397.479 3.601 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCSC1 ZINC000822205669 606806584 /nfs/dbraw/zinc/80/65/84/606806584.db2.gz DGHWJPJSYHKLAB-INIZCTEOSA-N -1 3 397.479 3.601 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)n1 ZINC000820733070 606808817 /nfs/dbraw/zinc/80/88/17/606808817.db2.gz COJGGVJHZSVVSG-NSHDSACASA-N -1 3 382.493 3.824 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)n1 ZINC000820733070 606808818 /nfs/dbraw/zinc/80/88/18/606808818.db2.gz COJGGVJHZSVVSG-NSHDSACASA-N -1 3 382.493 3.824 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(C(C)C)n1 ZINC000821389592 606809711 /nfs/dbraw/zinc/80/97/11/606809711.db2.gz PLFCNAKETIJCGY-UHFFFAOYSA-N -1 3 387.827 3.656 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(C(C)C)n1 ZINC000821389592 606809713 /nfs/dbraw/zinc/80/97/13/606809713.db2.gz PLFCNAKETIJCGY-UHFFFAOYSA-N -1 3 387.827 3.656 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=S)Nc1ccccc1-c1nnn[n-]1)CCC2 ZINC000821509674 606835920 /nfs/dbraw/zinc/83/59/20/606835920.db2.gz LAJIWCQJYKJMBR-AWEZNQCLSA-N -1 3 399.549 3.592 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=S)Nc1ccccc1-c1nn[n-]n1)CCC2 ZINC000821509674 606835922 /nfs/dbraw/zinc/83/59/22/606835922.db2.gz LAJIWCQJYKJMBR-AWEZNQCLSA-N -1 3 399.549 3.592 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1CCC(F)(F)F ZINC000823257152 606836945 /nfs/dbraw/zinc/83/69/45/606836945.db2.gz CAWOPFRUURCANC-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1CCC(F)(F)F ZINC000823257152 606836946 /nfs/dbraw/zinc/83/69/46/606836946.db2.gz CAWOPFRUURCANC-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM Cc1cccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822323675 606842994 /nfs/dbraw/zinc/84/29/94/606842994.db2.gz MEDYMFJGMIKIRF-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1cccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822323675 606842995 /nfs/dbraw/zinc/84/29/95/606842995.db2.gz MEDYMFJGMIKIRF-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cccc(F)c1 ZINC000820550259 606850825 /nfs/dbraw/zinc/85/08/25/606850825.db2.gz WDMWUFBYYXENIZ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cccc(F)c1 ZINC000820550259 606850826 /nfs/dbraw/zinc/85/08/26/606850826.db2.gz WDMWUFBYYXENIZ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000821412065 606862613 /nfs/dbraw/zinc/86/26/13/606862613.db2.gz HLHNNDSFIYTXJH-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000821040709 606902146 /nfs/dbraw/zinc/90/21/46/606902146.db2.gz QAXJDENAGGEYQN-LBPRGKRZSA-N -1 3 386.525 3.513 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000821703208 606906438 /nfs/dbraw/zinc/90/64/38/606906438.db2.gz URKWPSQWOCUVQJ-UHFFFAOYSA-N -1 3 382.424 3.588 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000821703208 606906440 /nfs/dbraw/zinc/90/64/40/606906440.db2.gz URKWPSQWOCUVQJ-UHFFFAOYSA-N -1 3 382.424 3.588 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821082154 606936353 /nfs/dbraw/zinc/93/63/53/606936353.db2.gz HIBAUZAHPIQMCY-UHFFFAOYSA-N -1 3 387.447 3.783 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821082154 606936355 /nfs/dbraw/zinc/93/63/55/606936355.db2.gz HIBAUZAHPIQMCY-UHFFFAOYSA-N -1 3 387.447 3.783 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccn(C2CCCC2)n1 ZINC000823387432 606956591 /nfs/dbraw/zinc/95/65/91/606956591.db2.gz JQXCVRCHYHQUEJ-UHFFFAOYSA-N -1 3 397.508 3.761 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccn(C2CCCC2)n1 ZINC000823387432 606956593 /nfs/dbraw/zinc/95/65/93/606956593.db2.gz JQXCVRCHYHQUEJ-UHFFFAOYSA-N -1 3 397.508 3.761 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000820314082 606981589 /nfs/dbraw/zinc/98/15/89/606981589.db2.gz HPWAVRITXMCFFH-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000820314082 606981590 /nfs/dbraw/zinc/98/15/90/606981590.db2.gz HPWAVRITXMCFFH-GFCCVEGCSA-N -1 3 385.855 3.555 20 0 GHADHM Cc1cc(-c2noc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822152880 606984846 /nfs/dbraw/zinc/98/48/46/606984846.db2.gz JIRULXYGDYQVCH-UHFFFAOYSA-N -1 3 385.790 3.630 20 0 GHADHM Cc1cc(-c2noc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822152880 606984848 /nfs/dbraw/zinc/98/48/48/606984848.db2.gz JIRULXYGDYQVCH-UHFFFAOYSA-N -1 3 385.790 3.630 20 0 GHADHM Cc1ccc(-c2noc(CCCNc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1F ZINC000822223909 606985718 /nfs/dbraw/zinc/98/57/18/606985718.db2.gz OTRSYTAUESJLJJ-UHFFFAOYSA-N -1 3 397.389 3.548 20 0 GHADHM Cc1ccc(-c2noc(CCCNc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1F ZINC000822223909 606985720 /nfs/dbraw/zinc/98/57/20/606985720.db2.gz OTRSYTAUESJLJJ-UHFFFAOYSA-N -1 3 397.389 3.548 20 0 GHADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000821569557 606988716 /nfs/dbraw/zinc/98/87/16/606988716.db2.gz OCKNQFZDDPAUEN-UHFFFAOYSA-N -1 3 387.443 3.840 20 0 GHADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000821569557 606988718 /nfs/dbraw/zinc/98/87/18/606988718.db2.gz OCKNQFZDDPAUEN-UHFFFAOYSA-N -1 3 387.443 3.840 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596646 606995640 /nfs/dbraw/zinc/99/56/40/606995640.db2.gz PCSFSHFTRBGPKL-UHFFFAOYSA-N -1 3 385.786 3.508 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822596646 606995642 /nfs/dbraw/zinc/99/56/42/606995642.db2.gz PCSFSHFTRBGPKL-UHFFFAOYSA-N -1 3 385.786 3.508 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822263257 607002345 /nfs/dbraw/zinc/00/23/45/607002345.db2.gz KBIAMELNULRMGD-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822263257 607002346 /nfs/dbraw/zinc/00/23/46/607002346.db2.gz KBIAMELNULRMGD-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000822263353 607008362 /nfs/dbraw/zinc/00/83/62/607008362.db2.gz NXILNRKDPXDZGT-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000822263353 607008364 /nfs/dbraw/zinc/00/83/64/607008364.db2.gz NXILNRKDPXDZGT-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821009598 607017132 /nfs/dbraw/zinc/01/71/32/607017132.db2.gz WPHBVJRZXCOICK-CYBMUJFWSA-N -1 3 395.488 3.969 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821009598 607017134 /nfs/dbraw/zinc/01/71/34/607017134.db2.gz WPHBVJRZXCOICK-CYBMUJFWSA-N -1 3 395.488 3.969 20 0 GHADHM Brc1ccc(OCc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000819688134 607030029 /nfs/dbraw/zinc/03/00/29/607030029.db2.gz DOOOIDJTIPOHFL-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1ccc(OCc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000819688134 607030031 /nfs/dbraw/zinc/03/00/31/607030031.db2.gz DOOOIDJTIPOHFL-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1ccc(OCc2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000819688365 607030667 /nfs/dbraw/zinc/03/06/67/607030667.db2.gz HMQRBYGGPAWUJW-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccc(OCc2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000819688365 607030669 /nfs/dbraw/zinc/03/06/69/607030669.db2.gz HMQRBYGGPAWUJW-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CC(C)Cn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccco1 ZINC000820108950 607037560 /nfs/dbraw/zinc/03/75/60/607037560.db2.gz WJIKUOQFHZMLOG-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM CC(C)Cn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000820108950 607037561 /nfs/dbraw/zinc/03/75/61/607037561.db2.gz WJIKUOQFHZMLOG-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000822217989 607067111 /nfs/dbraw/zinc/06/71/11/607067111.db2.gz VCWKTRORVCKDFU-MRXNPFEDSA-N -1 3 396.426 3.738 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000822217989 607067113 /nfs/dbraw/zinc/06/71/13/607067113.db2.gz VCWKTRORVCKDFU-MRXNPFEDSA-N -1 3 396.426 3.738 20 0 GHADHM C[C@@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819884441 607084738 /nfs/dbraw/zinc/08/47/38/607084738.db2.gz WTBJTIOUJACTQT-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819884441 607084740 /nfs/dbraw/zinc/08/47/40/607084740.db2.gz WTBJTIOUJACTQT-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000822936098 607094333 /nfs/dbraw/zinc/09/43/33/607094333.db2.gz RVHGLWUXIKTNEJ-SQZREULQSA-N -1 3 397.438 3.802 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000822936098 607094334 /nfs/dbraw/zinc/09/43/34/607094334.db2.gz RVHGLWUXIKTNEJ-SQZREULQSA-N -1 3 397.438 3.802 20 0 GHADHM O=C(Nc1ccc(F)nc1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823345604 607100499 /nfs/dbraw/zinc/10/04/99/607100499.db2.gz AFPAXXGLIWWMKD-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM O=C(Nc1ccc(F)nc1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823345604 607100501 /nfs/dbraw/zinc/10/05/01/607100501.db2.gz AFPAXXGLIWWMKD-UHFFFAOYSA-N -1 3 392.419 3.804 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820518592 607148365 /nfs/dbraw/zinc/14/83/65/607148365.db2.gz HJPXEBXGTVFRFD-GFCCVEGCSA-N -1 3 389.525 3.873 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820518592 607148367 /nfs/dbraw/zinc/14/83/67/607148367.db2.gz HJPXEBXGTVFRFD-GFCCVEGCSA-N -1 3 389.525 3.873 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(Br)s1 ZINC000822176001 607152511 /nfs/dbraw/zinc/15/25/11/607152511.db2.gz DEHGQXLVBZIWGK-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(Br)s1 ZINC000822176001 607152512 /nfs/dbraw/zinc/15/25/12/607152512.db2.gz DEHGQXLVBZIWGK-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1cccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1F ZINC000822284369 607156029 /nfs/dbraw/zinc/15/60/29/607156029.db2.gz QFYMBZQINVEBFL-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1cccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1F ZINC000822284369 607156030 /nfs/dbraw/zinc/15/60/30/607156030.db2.gz QFYMBZQINVEBFL-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM COc1ccc(-c2noc([C@H](C)SCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821766458 607172199 /nfs/dbraw/zinc/17/21/99/607172199.db2.gz XJEBUQDYFRXYTF-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2noc([C@H](C)SCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821766458 607172200 /nfs/dbraw/zinc/17/22/00/607172200.db2.gz XJEBUQDYFRXYTF-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821611173 607195863 /nfs/dbraw/zinc/19/58/63/607195863.db2.gz ULWYOONYUZXMFM-UHFFFAOYSA-N -1 3 383.264 3.899 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821611173 607195864 /nfs/dbraw/zinc/19/58/64/607195864.db2.gz ULWYOONYUZXMFM-UHFFFAOYSA-N -1 3 383.264 3.899 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821417828 607198086 /nfs/dbraw/zinc/19/80/86/607198086.db2.gz TWKDCKOQJZVLEM-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821417828 607198087 /nfs/dbraw/zinc/19/80/87/607198087.db2.gz TWKDCKOQJZVLEM-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821430872 607202375 /nfs/dbraw/zinc/20/23/75/607202375.db2.gz HJPYISPCYQHEME-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821430872 607202376 /nfs/dbraw/zinc/20/23/76/607202376.db2.gz HJPYISPCYQHEME-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000823315269 607202985 /nfs/dbraw/zinc/20/29/85/607202985.db2.gz WVVJYMYCRVZTFH-OAHLLOKOSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000823315269 607202986 /nfs/dbraw/zinc/20/29/86/607202986.db2.gz WVVJYMYCRVZTFH-OAHLLOKOSA-N -1 3 398.854 3.595 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1cnn(-c2ccccc2)c1 ZINC000822723782 607226872 /nfs/dbraw/zinc/22/68/72/607226872.db2.gz OIUBEYZVAKZYAS-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1cnn(-c2ccccc2)c1 ZINC000822723782 607226873 /nfs/dbraw/zinc/22/68/73/607226873.db2.gz OIUBEYZVAKZYAS-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CCCCCC[C@H](CC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821048405 607230481 /nfs/dbraw/zinc/23/04/81/607230481.db2.gz CHVDFPVXABFZQB-HNNXBMFYSA-N -1 3 395.511 3.870 20 0 GHADHM CCCCCC[C@H](CC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821048405 607230482 /nfs/dbraw/zinc/23/04/82/607230482.db2.gz CHVDFPVXABFZQB-HNNXBMFYSA-N -1 3 395.511 3.870 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc2ccccc21 ZINC000820404562 607231208 /nfs/dbraw/zinc/23/12/08/607231208.db2.gz XVDNQCWFVGLLGO-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc2ccccc21 ZINC000820404562 607231209 /nfs/dbraw/zinc/23/12/09/607231209.db2.gz XVDNQCWFVGLLGO-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM O=C(Nc1cccc(N2CCCCCC2)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823364066 607234195 /nfs/dbraw/zinc/23/41/95/607234195.db2.gz YAWLLLPHWMJTOV-UHFFFAOYSA-N -1 3 397.870 3.548 20 0 GHADHM O=C(Nc1cccc(N2CCCCCC2)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823364066 607234196 /nfs/dbraw/zinc/23/41/96/607234196.db2.gz YAWLLLPHWMJTOV-UHFFFAOYSA-N -1 3 397.870 3.548 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958740 607241868 /nfs/dbraw/zinc/24/18/68/607241868.db2.gz FHDHFQASNFTJQD-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958740 607241869 /nfs/dbraw/zinc/24/18/69/607241869.db2.gz FHDHFQASNFTJQD-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819835293 607242548 /nfs/dbraw/zinc/24/25/48/607242548.db2.gz VGQZNERDVGHUGJ-UHFFFAOYSA-N -1 3 399.838 3.520 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819835293 607242549 /nfs/dbraw/zinc/24/25/49/607242549.db2.gz VGQZNERDVGHUGJ-UHFFFAOYSA-N -1 3 399.838 3.520 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822423872 607245262 /nfs/dbraw/zinc/24/52/62/607245262.db2.gz PZWKNEFYXAETLZ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822423872 607245263 /nfs/dbraw/zinc/24/52/63/607245263.db2.gz PZWKNEFYXAETLZ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820536779 607250112 /nfs/dbraw/zinc/25/01/12/607250112.db2.gz XPPWBXRPDCTUKH-MRVPVSSYSA-N -1 3 397.193 3.686 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820536779 607250113 /nfs/dbraw/zinc/25/01/13/607250113.db2.gz XPPWBXRPDCTUKH-MRVPVSSYSA-N -1 3 397.193 3.686 20 0 GHADHM CCc1cccnc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728561 607781333 /nfs/dbraw/zinc/78/13/33/607781333.db2.gz PVQWVGRCYRDPHU-UHFFFAOYSA-N -1 3 385.431 3.820 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000824918400 607782173 /nfs/dbraw/zinc/78/21/73/607782173.db2.gz PZELOFJLAYYMHT-AUUYWEPGSA-N -1 3 388.475 3.794 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000824918400 607782174 /nfs/dbraw/zinc/78/21/74/607782174.db2.gz PZELOFJLAYYMHT-AUUYWEPGSA-N -1 3 388.475 3.794 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2c1 ZINC000826213846 607782639 /nfs/dbraw/zinc/78/26/39/607782639.db2.gz OQSYLFCNGNYKGX-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2c1 ZINC000826213846 607782640 /nfs/dbraw/zinc/78/26/40/607782640.db2.gz OQSYLFCNGNYKGX-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM c1cc(OCCCSCc2nc(C3CCCC3)no2)cc(-c2nnn[n-]2)c1 ZINC000826517455 607785120 /nfs/dbraw/zinc/78/51/20/607785120.db2.gz CKGRSMMAXPMIFF-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM c1cc(OCCCSCc2nc(C3CCCC3)no2)cc(-c2nn[n-]n2)c1 ZINC000826517455 607785121 /nfs/dbraw/zinc/78/51/21/607785121.db2.gz CKGRSMMAXPMIFF-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825067750 607785367 /nfs/dbraw/zinc/78/53/67/607785367.db2.gz LWYDHTNLWAVWLD-CQSZACIVSA-N -1 3 399.882 3.868 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825067750 607785368 /nfs/dbraw/zinc/78/53/68/607785368.db2.gz LWYDHTNLWAVWLD-CQSZACIVSA-N -1 3 399.882 3.868 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826283517 607785659 /nfs/dbraw/zinc/78/56/59/607785659.db2.gz STCTVTOCDKESEV-UHFFFAOYSA-N -1 3 379.464 3.730 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283517 607785660 /nfs/dbraw/zinc/78/56/60/607785660.db2.gz STCTVTOCDKESEV-UHFFFAOYSA-N -1 3 379.464 3.730 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2nc(C(F)(F)F)cs2)c1 ZINC000826373621 607785949 /nfs/dbraw/zinc/78/59/49/607785949.db2.gz TUBWYYWDCNFCQM-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2nc(C(F)(F)F)cs2)c1 ZINC000826373621 607785950 /nfs/dbraw/zinc/78/59/50/607785950.db2.gz TUBWYYWDCNFCQM-UHFFFAOYSA-N -1 3 375.376 3.915 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825818238 607787317 /nfs/dbraw/zinc/78/73/17/607787317.db2.gz YBLHGKCTQYJYHC-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825818238 607787318 /nfs/dbraw/zinc/78/73/18/607787318.db2.gz YBLHGKCTQYJYHC-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825811838 607790422 /nfs/dbraw/zinc/79/04/22/607790422.db2.gz CKTLWTXQXQGSFG-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825811838 607790423 /nfs/dbraw/zinc/79/04/23/607790423.db2.gz CKTLWTXQXQGSFG-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2F)o1)c1ccccc1-c1nnn[n-]1 ZINC000825817719 607790869 /nfs/dbraw/zinc/79/08/69/607790869.db2.gz NISMGPUGDNITAD-UHFFFAOYSA-N -1 3 391.406 3.861 20 0 GHADHM CN(C(=O)CCc1ccc(-c2ccccc2F)o1)c1ccccc1-c1nn[n-]n1 ZINC000825817719 607790870 /nfs/dbraw/zinc/79/08/70/607790870.db2.gz NISMGPUGDNITAD-UHFFFAOYSA-N -1 3 391.406 3.861 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826288888 607794229 /nfs/dbraw/zinc/79/42/29/607794229.db2.gz BAKNYSFUJPSLKP-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826288888 607794230 /nfs/dbraw/zinc/79/42/30/607794230.db2.gz BAKNYSFUJPSLKP-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM CCN(C(=O)c1nc(-c2ccccc2F)oc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391136 607796820 /nfs/dbraw/zinc/79/68/20/607796820.db2.gz VDYRUHQMECDYOO-UHFFFAOYSA-N -1 3 392.394 3.636 20 0 GHADHM CCN(C(=O)c1nc(-c2ccccc2F)oc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391136 607796821 /nfs/dbraw/zinc/79/68/21/607796821.db2.gz VDYRUHQMECDYOO-UHFFFAOYSA-N -1 3 392.394 3.636 20 0 GHADHM CCN(C(=O)c1csc(-c2ccccc2C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390648 607798662 /nfs/dbraw/zinc/79/86/62/607798662.db2.gz JBWFCDWNLPTUTH-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1csc(-c2ccccc2C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390648 607798663 /nfs/dbraw/zinc/79/86/63/607798663.db2.gz JBWFCDWNLPTUTH-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM O=C(NCCC1=CCCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826436077 607803634 /nfs/dbraw/zinc/80/36/34/607803634.db2.gz HFUJAAYJMISZEB-UHFFFAOYSA-N -1 3 391.435 3.676 20 0 GHADHM O=C(NCCC1=CCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826436077 607803635 /nfs/dbraw/zinc/80/36/35/607803635.db2.gz HFUJAAYJMISZEB-UHFFFAOYSA-N -1 3 391.435 3.676 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824457320 607826238 /nfs/dbraw/zinc/82/62/38/607826238.db2.gz JQLSSOTYURBIGO-JTQLQIEISA-N -1 3 387.896 3.888 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824457320 607826239 /nfs/dbraw/zinc/82/62/39/607826239.db2.gz JQLSSOTYURBIGO-JTQLQIEISA-N -1 3 387.896 3.888 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3sc(C)c(C)c3-c3nnn[n-]3)c2c1 ZINC000826213306 607826359 /nfs/dbraw/zinc/82/63/59/607826359.db2.gz SNPPZVKRLMNYBD-UHFFFAOYSA-N -1 3 393.472 3.888 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3sc(C)c(C)c3-c3nn[n-]n3)c2c1 ZINC000826213306 607826360 /nfs/dbraw/zinc/82/63/60/607826360.db2.gz SNPPZVKRLMNYBD-UHFFFAOYSA-N -1 3 393.472 3.888 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000121713745 607853269 /nfs/dbraw/zinc/85/32/69/607853269.db2.gz RKEJGRMIEZZDGF-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000121713745 607853270 /nfs/dbraw/zinc/85/32/70/607853270.db2.gz RKEJGRMIEZZDGF-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826243193 607874047 /nfs/dbraw/zinc/87/40/47/607874047.db2.gz YCASBUAYYBUBLB-OAHLLOKOSA-N -1 3 378.354 3.615 20 0 GHADHM CCN(C(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377127 607879049 /nfs/dbraw/zinc/87/90/49/607879049.db2.gz ULRKJCCGVASRCT-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377127 607879050 /nfs/dbraw/zinc/87/90/50/607879050.db2.gz ULRKJCCGVASRCT-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000824853003 607919028 /nfs/dbraw/zinc/91/90/28/607919028.db2.gz USQHQHKGBOCTRM-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CC1=CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824853003 607919029 /nfs/dbraw/zinc/91/90/29/607919029.db2.gz USQHQHKGBOCTRM-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CS[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000826224894 607939002 /nfs/dbraw/zinc/93/90/02/607939002.db2.gz OLZVXSMFMOKPCW-CQSZACIVSA-N -1 3 399.495 3.989 20 0 GHADHM CS[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000826224894 607939003 /nfs/dbraw/zinc/93/90/03/607939003.db2.gz OLZVXSMFMOKPCW-CQSZACIVSA-N -1 3 399.495 3.989 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)cc1 ZINC000826284740 607946424 /nfs/dbraw/zinc/94/64/24/607946424.db2.gz DBKAVCARVDPVKI-MJGOQNOKSA-N -1 3 378.432 3.561 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)cc1 ZINC000826284740 607946425 /nfs/dbraw/zinc/94/64/25/607946425.db2.gz DBKAVCARVDPVKI-MJGOQNOKSA-N -1 3 378.432 3.561 20 0 GHADHM O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399525 607948954 /nfs/dbraw/zinc/94/89/54/607948954.db2.gz YAUMOUHWXPDQIS-WOJBJXKFSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399525 607948955 /nfs/dbraw/zinc/94/89/55/607948955.db2.gz YAUMOUHWXPDQIS-WOJBJXKFSA-N -1 3 381.439 3.713 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337199 607965908 /nfs/dbraw/zinc/96/59/08/607965908.db2.gz GGZMGWCXFCENQN-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337199 607965909 /nfs/dbraw/zinc/96/59/09/607965909.db2.gz GGZMGWCXFCENQN-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000826208074 607965929 /nfs/dbraw/zinc/96/59/29/607965929.db2.gz RKPMOQQMWPBDAH-SWLSCSKDSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000826208074 607965930 /nfs/dbraw/zinc/96/59/30/607965930.db2.gz RKPMOQQMWPBDAH-SWLSCSKDSA-N -1 3 399.524 3.819 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2c3ccccc3[nH]c2C1 ZINC000826304386 607968950 /nfs/dbraw/zinc/96/89/50/607968950.db2.gz JLRSHIULQOLVOS-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2c3ccccc3[nH]c2C1 ZINC000826304386 607968951 /nfs/dbraw/zinc/96/89/51/607968951.db2.gz JLRSHIULQOLVOS-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM CCN(C(=O)c1cc(C2CCCCC2)n[nH]1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379222 607978492 /nfs/dbraw/zinc/97/84/92/607978492.db2.gz CWRNJJLRLLJCLQ-AWEZNQCLSA-N -1 3 393.495 3.861 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc3ccc(F)cc3c2)c1-c1nnn[n-]1 ZINC000825688386 608003764 /nfs/dbraw/zinc/00/37/64/608003764.db2.gz XPDOIMBBMPYRGD-UHFFFAOYSA-N -1 3 382.424 3.739 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc3ccc(F)cc3c2)c1-c1nn[n-]n1 ZINC000825688386 608003765 /nfs/dbraw/zinc/00/37/65/608003765.db2.gz XPDOIMBBMPYRGD-UHFFFAOYSA-N -1 3 382.424 3.739 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826185520 608007273 /nfs/dbraw/zinc/00/72/73/608007273.db2.gz MCRXGODMZFVKBE-GOSISDBHSA-N -1 3 396.426 3.596 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826185520 608007274 /nfs/dbraw/zinc/00/72/74/608007274.db2.gz MCRXGODMZFVKBE-GOSISDBHSA-N -1 3 396.426 3.596 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081515 608024675 /nfs/dbraw/zinc/02/46/75/608024675.db2.gz KOWOBOBREFOVCI-JTQLQIEISA-N -1 3 385.859 3.817 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081515 608024676 /nfs/dbraw/zinc/02/46/76/608024676.db2.gz KOWOBOBREFOVCI-JTQLQIEISA-N -1 3 385.859 3.817 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000825971968 608025013 /nfs/dbraw/zinc/02/50/13/608025013.db2.gz QCVLYCBWDLSSOG-UHFFFAOYSA-N -1 3 397.429 3.615 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000825971968 608025014 /nfs/dbraw/zinc/02/50/14/608025014.db2.gz QCVLYCBWDLSSOG-UHFFFAOYSA-N -1 3 397.429 3.615 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826329541 608027416 /nfs/dbraw/zinc/02/74/16/608027416.db2.gz HURWPLYVGVBRFN-UHFFFAOYSA-N -1 3 384.443 3.808 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826329541 608027417 /nfs/dbraw/zinc/02/74/17/608027417.db2.gz HURWPLYVGVBRFN-UHFFFAOYSA-N -1 3 384.443 3.808 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824864310 608028549 /nfs/dbraw/zinc/02/85/49/608028549.db2.gz AFEIBEWEARIFNJ-RDTXWAMCSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824864310 608028550 /nfs/dbraw/zinc/02/85/50/608028550.db2.gz AFEIBEWEARIFNJ-RDTXWAMCSA-N -1 3 390.443 3.582 20 0 GHADHM COc1ccc(CN(Cc2cccs2)CC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826193754 608044341 /nfs/dbraw/zinc/04/43/41/608044341.db2.gz NZHMFTCWFAPNOQ-UHFFFAOYSA-N -1 3 383.399 3.501 20 0 GHADHM COc1ccc(CN(Cc2cccs2)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826193754 608044342 /nfs/dbraw/zinc/04/43/42/608044342.db2.gz NZHMFTCWFAPNOQ-UHFFFAOYSA-N -1 3 383.399 3.501 20 0 GHADHM C[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824945506 608058947 /nfs/dbraw/zinc/05/89/47/608058947.db2.gz DDLLBNLHRBZODD-LBPRGKRZSA-N -1 3 383.839 3.937 20 0 GHADHM C[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824945506 608058948 /nfs/dbraw/zinc/05/89/48/608058948.db2.gz DDLLBNLHRBZODD-LBPRGKRZSA-N -1 3 383.839 3.937 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825114122 608083976 /nfs/dbraw/zinc/08/39/76/608083976.db2.gz JURIRGVBHWQPMH-XLIONFOSSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825114122 608083977 /nfs/dbraw/zinc/08/39/77/608083977.db2.gz JURIRGVBHWQPMH-XLIONFOSSA-N -1 3 397.523 3.763 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825080843 608102637 /nfs/dbraw/zinc/10/26/37/608102637.db2.gz BUYPHKSJJROLRL-GFCCVEGCSA-N -1 3 397.508 3.642 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825080843 608102638 /nfs/dbraw/zinc/10/26/38/608102638.db2.gz BUYPHKSJJROLRL-GFCCVEGCSA-N -1 3 397.508 3.642 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824866226 608119497 /nfs/dbraw/zinc/11/94/97/608119497.db2.gz LSJMZTIGMKTAHG-CXAGYDPISA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824866226 608119498 /nfs/dbraw/zinc/11/94/98/608119498.db2.gz LSJMZTIGMKTAHG-CXAGYDPISA-N -1 3 391.431 3.603 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826475885 608130806 /nfs/dbraw/zinc/13/08/06/608130806.db2.gz VBCWKZUQNFRBGP-LLVKDONJSA-N -1 3 393.394 3.577 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826475885 608130807 /nfs/dbraw/zinc/13/08/07/608130807.db2.gz VBCWKZUQNFRBGP-LLVKDONJSA-N -1 3 393.394 3.577 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825012242 608141219 /nfs/dbraw/zinc/14/12/19/608141219.db2.gz FOVJCGZHVHTBMG-NSHDSACASA-N -1 3 385.880 3.909 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825012242 608141220 /nfs/dbraw/zinc/14/12/20/608141220.db2.gz FOVJCGZHVHTBMG-NSHDSACASA-N -1 3 385.880 3.909 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC(C)(C)c1ccccc1 ZINC000825789337 608175505 /nfs/dbraw/zinc/17/55/05/608175505.db2.gz ZFZJMIRPXAZRRN-UHFFFAOYSA-N -1 3 389.463 3.543 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC(C)(C)c1ccccc1 ZINC000825789337 608175508 /nfs/dbraw/zinc/17/55/08/608175508.db2.gz ZFZJMIRPXAZRRN-UHFFFAOYSA-N -1 3 389.463 3.543 20 0 GHADHM CCC[C@@H](C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)c1ccccc1 ZINC000825225786 608176973 /nfs/dbraw/zinc/17/69/73/608176973.db2.gz XNHOTWWDKFBVHB-MRXNPFEDSA-N -1 3 389.463 3.759 20 0 GHADHM CCC[C@@H](C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)c1ccccc1 ZINC000825225786 608176974 /nfs/dbraw/zinc/17/69/74/608176974.db2.gz XNHOTWWDKFBVHB-MRXNPFEDSA-N -1 3 389.463 3.759 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826271782 608186003 /nfs/dbraw/zinc/18/60/03/608186003.db2.gz HCJPLKRSKISPKV-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826271782 608186004 /nfs/dbraw/zinc/18/60/04/608186004.db2.gz HCJPLKRSKISPKV-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826280415 608186246 /nfs/dbraw/zinc/18/62/46/608186246.db2.gz AUPOYKXYGZMODL-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826280415 608186247 /nfs/dbraw/zinc/18/62/47/608186247.db2.gz AUPOYKXYGZMODL-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccco1 ZINC000826232569 608190182 /nfs/dbraw/zinc/19/01/82/608190182.db2.gz XOUXMQXHDQWMQV-LBPRGKRZSA-N -1 3 380.360 3.550 20 0 GHADHM C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccco1 ZINC000826232569 608190183 /nfs/dbraw/zinc/19/01/83/608190183.db2.gz XOUXMQXHDQWMQV-LBPRGKRZSA-N -1 3 380.360 3.550 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC(Cc2cccnc2)CC1 ZINC000826368058 608194447 /nfs/dbraw/zinc/19/44/47/608194447.db2.gz AFGWMTRIGUVEBK-UHFFFAOYSA-N -1 3 388.397 3.740 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826297930 608207685 /nfs/dbraw/zinc/20/76/85/608207685.db2.gz XJVRYEOIQWDZPM-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826297930 608207687 /nfs/dbraw/zinc/20/76/87/608207687.db2.gz XJVRYEOIQWDZPM-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM CN(C)c1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c2ccccc2n1 ZINC000825875214 608230150 /nfs/dbraw/zinc/23/01/50/608230150.db2.gz FMOZHRDTGYHFOI-UHFFFAOYSA-N -1 3 396.458 3.641 20 0 GHADHM CN(C)c1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c2ccccc2n1 ZINC000825875214 608230152 /nfs/dbraw/zinc/23/01/52/608230152.db2.gz FMOZHRDTGYHFOI-UHFFFAOYSA-N -1 3 396.458 3.641 20 0 GHADHM Cc1cccc([C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccn2)c1 ZINC000826296844 608230831 /nfs/dbraw/zinc/23/08/31/608230831.db2.gz LFQCCHPGHJAFDZ-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1cccc([C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccn2)c1 ZINC000826296844 608230832 /nfs/dbraw/zinc/23/08/32/608230832.db2.gz LFQCCHPGHJAFDZ-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1ccccc1F ZINC000824319566 608236218 /nfs/dbraw/zinc/23/62/18/608236218.db2.gz UOVPEWNNPJPTEV-UHFFFAOYSA-N -1 3 391.353 3.524 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1ccccc1F ZINC000824319566 608236219 /nfs/dbraw/zinc/23/62/19/608236219.db2.gz UOVPEWNNPJPTEV-UHFFFAOYSA-N -1 3 391.353 3.524 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000824737266 608251283 /nfs/dbraw/zinc/25/12/83/608251283.db2.gz DMNCBLXAUINNTK-LBPRGKRZSA-N -1 3 399.426 3.589 20 0 GHADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)Cc1ccc(Cl)cc1 ZINC000824385490 608259431 /nfs/dbraw/zinc/25/94/31/608259431.db2.gz VICDVVJSBCCUMR-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)Cc1ccc(Cl)cc1 ZINC000824385490 608259432 /nfs/dbraw/zinc/25/94/32/608259432.db2.gz VICDVVJSBCCUMR-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824929178 608266127 /nfs/dbraw/zinc/26/61/27/608266127.db2.gz WXCSKRCYJFQPJX-FXAWDEMLSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824929178 608266130 /nfs/dbraw/zinc/26/61/30/608266130.db2.gz WXCSKRCYJFQPJX-FXAWDEMLSA-N -1 3 399.539 3.981 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(F)c(SC)c1 ZINC000826167767 608266960 /nfs/dbraw/zinc/26/69/60/608266960.db2.gz QHUGNTPHNXFKDE-UHFFFAOYSA-N -1 3 394.815 3.609 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(F)c(SC)c1 ZINC000826167767 608266962 /nfs/dbraw/zinc/26/69/62/608266962.db2.gz QHUGNTPHNXFKDE-UHFFFAOYSA-N -1 3 394.815 3.609 20 0 GHADHM CCCCOc1ccc([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1OC ZINC000825291160 608275373 /nfs/dbraw/zinc/27/53/73/608275373.db2.gz MUXITICFNSIUNP-AWEZNQCLSA-N -1 3 382.468 3.931 20 0 GHADHM CCCCOc1ccc([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1OC ZINC000825291160 608275375 /nfs/dbraw/zinc/27/53/75/608275375.db2.gz MUXITICFNSIUNP-AWEZNQCLSA-N -1 3 382.468 3.931 20 0 GHADHM Cc1nnc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)s1 ZINC000826335488 608290622 /nfs/dbraw/zinc/29/06/22/608290622.db2.gz PGRPIRZAECAHNO-UHFFFAOYSA-N -1 3 383.412 3.570 20 0 GHADHM Cc1nnc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)s1 ZINC000826335488 608290623 /nfs/dbraw/zinc/29/06/23/608290623.db2.gz PGRPIRZAECAHNO-UHFFFAOYSA-N -1 3 383.412 3.570 20 0 GHADHM O=C(C=C(C1CC1)C1CC1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826398765 608305482 /nfs/dbraw/zinc/30/54/82/608305482.db2.gz FMEZAIKMQVAGGH-UHFFFAOYSA-N -1 3 385.471 3.896 20 0 GHADHM O=C(C=C(C1CC1)C1CC1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826398765 608305484 /nfs/dbraw/zinc/30/54/84/608305484.db2.gz FMEZAIKMQVAGGH-UHFFFAOYSA-N -1 3 385.471 3.896 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516540 608312701 /nfs/dbraw/zinc/31/27/01/608312701.db2.gz XZJDILUYQTUJLP-NXEZZACHSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516540 608312703 /nfs/dbraw/zinc/31/27/03/608312703.db2.gz XZJDILUYQTUJLP-NXEZZACHSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000824955316 608312882 /nfs/dbraw/zinc/31/28/82/608312882.db2.gz OCBUJHHCDIGXBB-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000824955314 608312891 /nfs/dbraw/zinc/31/28/91/608312891.db2.gz OCBUJHHCDIGXBB-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824447705 608313991 /nfs/dbraw/zinc/31/39/91/608313991.db2.gz BBXKSQSJFPJGHT-INIZCTEOSA-N -1 3 377.492 3.670 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824447705 608313993 /nfs/dbraw/zinc/31/39/93/608313993.db2.gz BBXKSQSJFPJGHT-INIZCTEOSA-N -1 3 377.492 3.670 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)ccc1OCC(F)(F)F ZINC000826170647 608319633 /nfs/dbraw/zinc/31/96/33/608319633.db2.gz JNURQBFWJRWTOD-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)ccc1OCC(F)(F)F ZINC000826170647 608319635 /nfs/dbraw/zinc/31/96/35/608319635.db2.gz JNURQBFWJRWTOD-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(NC(=O)OCC(C)C)c1 ZINC000826170960 608321457 /nfs/dbraw/zinc/32/14/57/608321457.db2.gz WWZWGDUWDDXMJC-UHFFFAOYSA-N -1 3 396.451 3.692 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(NC(=O)OCC(C)C)c1 ZINC000826170960 608321459 /nfs/dbraw/zinc/32/14/59/608321459.db2.gz WWZWGDUWDDXMJC-UHFFFAOYSA-N -1 3 396.451 3.692 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1F ZINC000824492104 608341836 /nfs/dbraw/zinc/34/18/36/608341836.db2.gz YIXMWFFGOCXNOH-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1F ZINC000824492104 608341838 /nfs/dbraw/zinc/34/18/38/608341838.db2.gz YIXMWFFGOCXNOH-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM CCN(C(=O)c1csc(C(C)C)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390995 608344163 /nfs/dbraw/zinc/34/41/63/608344163.db2.gz RKFNWTOUFUPGCU-UHFFFAOYSA-N -1 3 376.873 3.767 20 0 GHADHM CCN(C(=O)c1csc(C(C)C)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390995 608344165 /nfs/dbraw/zinc/34/41/65/608344165.db2.gz RKFNWTOUFUPGCU-UHFFFAOYSA-N -1 3 376.873 3.767 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000824499567 608353167 /nfs/dbraw/zinc/35/31/67/608353167.db2.gz PQMJHGFQZLWSME-CQSZACIVSA-N -1 3 376.464 3.522 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000824499567 608353171 /nfs/dbraw/zinc/35/31/71/608353171.db2.gz PQMJHGFQZLWSME-CQSZACIVSA-N -1 3 376.464 3.522 20 0 GHADHM O=C(NCCCC1CCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826436468 608392803 /nfs/dbraw/zinc/39/28/03/608392803.db2.gz UVPSYLYFGQURAY-UHFFFAOYSA-N -1 3 380.496 3.636 20 0 GHADHM O=C(NCCCC1CCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826436468 608392805 /nfs/dbraw/zinc/39/28/05/608392805.db2.gz UVPSYLYFGQURAY-UHFFFAOYSA-N -1 3 380.496 3.636 20 0 GHADHM Fc1c(CSc2nnc3sc4ccccc4n23)cccc1-c1nnn[n-]1 ZINC000826371331 608394664 /nfs/dbraw/zinc/39/46/64/608394664.db2.gz BVDWLMBPSNFOAU-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Fc1c(CSc2nnc3sc4ccccc4n23)cccc1-c1nn[n-]n1 ZINC000826371331 608394666 /nfs/dbraw/zinc/39/46/66/608394666.db2.gz BVDWLMBPSNFOAU-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)cs2)cc1 ZINC000826273544 608439860 /nfs/dbraw/zinc/43/98/60/608439860.db2.gz IWWZMWNJIDHMIW-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)cs2)cc1 ZINC000826273544 608439862 /nfs/dbraw/zinc/43/98/62/608439862.db2.gz IWWZMWNJIDHMIW-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Clc1ccc(C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccn2)cc1 ZINC000826352409 608444350 /nfs/dbraw/zinc/44/43/50/608444350.db2.gz ZORBDWUPKFDOSZ-QGZVFWFLSA-N -1 3 377.839 3.706 20 0 GHADHM Clc1ccc(C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccn2)cc1 ZINC000826352409 608444351 /nfs/dbraw/zinc/44/43/51/608444351.db2.gz ZORBDWUPKFDOSZ-QGZVFWFLSA-N -1 3 377.839 3.706 20 0 GHADHM C[C@H](NCc1csc(-c2ccccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626454 608467519 /nfs/dbraw/zinc/46/75/19/608467519.db2.gz ONNCIPVRBUKWAH-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825126384 608477700 /nfs/dbraw/zinc/47/77/00/608477700.db2.gz HWKXRUWXYKCEPH-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825126384 608477701 /nfs/dbraw/zinc/47/77/01/608477701.db2.gz HWKXRUWXYKCEPH-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316370 608478765 /nfs/dbraw/zinc/47/87/65/608478765.db2.gz LZRRPVZTFAHWJV-QZTJIDSGSA-N -1 3 391.500 3.656 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826316370 608478767 /nfs/dbraw/zinc/47/87/67/608478767.db2.gz LZRRPVZTFAHWJV-QZTJIDSGSA-N -1 3 391.500 3.656 20 0 GHADHM O=C(Cc1c(F)cccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826421495 608479057 /nfs/dbraw/zinc/47/90/57/608479057.db2.gz KNJPSNDVCYUAJY-UHFFFAOYSA-N -1 3 397.841 3.518 20 0 GHADHM O=C(Cc1c(F)cccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826421495 608479058 /nfs/dbraw/zinc/47/90/58/608479058.db2.gz KNJPSNDVCYUAJY-UHFFFAOYSA-N -1 3 397.841 3.518 20 0 GHADHM O=C([C@H](c1ccccc1)C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397316 608479370 /nfs/dbraw/zinc/47/93/70/608479370.db2.gz ASOKNVJTFUCJLN-OAQYLSRUSA-N -1 3 385.471 3.676 20 0 GHADHM O=C([C@H](c1ccccc1)C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397316 608479373 /nfs/dbraw/zinc/47/93/73/608479373.db2.gz ASOKNVJTFUCJLN-OAQYLSRUSA-N -1 3 385.471 3.676 20 0 GHADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000824385403 608481557 /nfs/dbraw/zinc/48/15/57/608481557.db2.gz SCCRKURGZZDCHF-OAHLLOKOSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000824385403 608481559 /nfs/dbraw/zinc/48/15/59/608481559.db2.gz SCCRKURGZZDCHF-OAHLLOKOSA-N -1 3 391.450 3.815 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1Cl ZINC000826257705 608482219 /nfs/dbraw/zinc/48/22/19/608482219.db2.gz MKMVAUSIJKIVNL-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1Cl ZINC000826257705 608482220 /nfs/dbraw/zinc/48/22/20/608482220.db2.gz MKMVAUSIJKIVNL-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1(C)C ZINC000824176781 608482654 /nfs/dbraw/zinc/48/26/54/608482654.db2.gz AEVITSDHBYBZSZ-OALUTQOASA-N -1 3 377.492 3.721 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1(C)C ZINC000824176781 608482655 /nfs/dbraw/zinc/48/26/55/608482655.db2.gz AEVITSDHBYBZSZ-OALUTQOASA-N -1 3 377.492 3.721 20 0 GHADHM O=C(c1c[nH]cc1-c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826469999 608482681 /nfs/dbraw/zinc/48/26/81/608482681.db2.gz YJIWUWNIZJOYNF-UHFFFAOYSA-N -1 3 396.454 3.791 20 0 GHADHM O=C(c1c[nH]cc1-c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826469999 608482682 /nfs/dbraw/zinc/48/26/82/608482682.db2.gz YJIWUWNIZJOYNF-UHFFFAOYSA-N -1 3 396.454 3.791 20 0 GHADHM Cc1cccc2c(CC(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c[nH]c21 ZINC000826304814 608484957 /nfs/dbraw/zinc/48/49/57/608484957.db2.gz ZMWPNWJVHGXXKH-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM Cc1cccc2c(CC(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c[nH]c21 ZINC000826304814 608484958 /nfs/dbraw/zinc/48/49/58/608484958.db2.gz ZMWPNWJVHGXXKH-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cc(F)ccc1F ZINC000825140604 608536381 /nfs/dbraw/zinc/53/63/81/608536381.db2.gz LAWAZYWCWFRJEU-HNNXBMFYSA-N -1 3 395.360 3.987 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OC(F)(F)F ZINC000824148556 608538884 /nfs/dbraw/zinc/53/88/84/608538884.db2.gz ZTIMNFOMWQDHPP-UHFFFAOYSA-N -1 3 394.357 3.574 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OC(F)(F)F ZINC000824148556 608538885 /nfs/dbraw/zinc/53/88/85/608538885.db2.gz ZTIMNFOMWQDHPP-UHFFFAOYSA-N -1 3 394.357 3.574 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826451892 608545040 /nfs/dbraw/zinc/54/50/40/608545040.db2.gz AUYHOCDOUPDILE-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826451892 608545042 /nfs/dbraw/zinc/54/50/42/608545042.db2.gz AUYHOCDOUPDILE-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc(Cl)sc1Cl ZINC000826460233 608573099 /nfs/dbraw/zinc/57/30/99/608573099.db2.gz SLVHUMNOYHYEDA-UHFFFAOYSA-N -1 3 395.275 3.761 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc(Cl)sc1Cl ZINC000826460233 608573100 /nfs/dbraw/zinc/57/31/00/608573100.db2.gz SLVHUMNOYHYEDA-UHFFFAOYSA-N -1 3 395.275 3.761 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000824293619 608583684 /nfs/dbraw/zinc/58/36/84/608583684.db2.gz UJWUUYYNDBICIY-GOSISDBHSA-N -1 3 395.894 3.987 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000824293619 608583686 /nfs/dbraw/zinc/58/36/86/608583686.db2.gz UJWUUYYNDBICIY-GOSISDBHSA-N -1 3 395.894 3.987 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826246695 608589080 /nfs/dbraw/zinc/58/90/80/608589080.db2.gz JOWZUFDRKFQQAB-OAHLLOKOSA-N -1 3 393.344 3.738 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826246695 608589082 /nfs/dbraw/zinc/58/90/82/608589082.db2.gz JOWZUFDRKFQQAB-OAHLLOKOSA-N -1 3 393.344 3.738 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000825649674 608589146 /nfs/dbraw/zinc/58/91/46/608589146.db2.gz UUSYSHXAIJZITE-UONOGXRCSA-N -1 3 390.369 3.647 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000825649674 608589148 /nfs/dbraw/zinc/58/91/48/608589148.db2.gz UUSYSHXAIJZITE-UONOGXRCSA-N -1 3 390.369 3.647 20 0 GHADHM Fc1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000826371610 608670069 /nfs/dbraw/zinc/67/00/69/608670069.db2.gz MKTZKXDVQFHJHL-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000826371610 608670070 /nfs/dbraw/zinc/67/00/70/608670070.db2.gz MKTZKXDVQFHJHL-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000826295637 608716960 /nfs/dbraw/zinc/71/69/60/608716960.db2.gz QQQWXCRSZMANKQ-KRWDZBQOSA-N -1 3 391.504 3.964 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000826295637 608716961 /nfs/dbraw/zinc/71/69/61/608716961.db2.gz QQQWXCRSZMANKQ-KRWDZBQOSA-N -1 3 391.504 3.964 20 0 GHADHM COc1ccccc1COC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826220239 608799714 /nfs/dbraw/zinc/79/97/14/608799714.db2.gz GZECUMBWGWXARZ-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM COc1ccccc1COC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826220239 608799716 /nfs/dbraw/zinc/79/97/16/608799716.db2.gz GZECUMBWGWXARZ-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826290912 608826213 /nfs/dbraw/zinc/82/62/13/608826213.db2.gz GPUGQQOPFNSSHB-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826290912 608826216 /nfs/dbraw/zinc/82/62/16/608826216.db2.gz GPUGQQOPFNSSHB-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721711 609143393 /nfs/dbraw/zinc/14/33/93/609143393.db2.gz CSOOBCAKYDPRSK-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721711 609143396 /nfs/dbraw/zinc/14/33/96/609143396.db2.gz CSOOBCAKYDPRSK-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825782804 609152189 /nfs/dbraw/zinc/15/21/89/609152189.db2.gz QHHDWYKTWPDFAK-CHWSQXEVSA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825782804 609152190 /nfs/dbraw/zinc/15/21/90/609152190.db2.gz QHHDWYKTWPDFAK-CHWSQXEVSA-N -1 3 379.443 3.787 20 0 GHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)nn1-c1ccccc1Cl ZINC000826271347 609181001 /nfs/dbraw/zinc/18/10/01/609181001.db2.gz NXTKCEXXQYHVJK-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)nn1-c1ccccc1Cl ZINC000826271347 609181002 /nfs/dbraw/zinc/18/10/02/609181002.db2.gz NXTKCEXXQYHVJK-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1-c1nnn[n-]1 ZINC000825686948 609183635 /nfs/dbraw/zinc/18/36/35/609183635.db2.gz CNBOXZGUASCAOL-SNVBAGLBSA-N -1 3 385.497 3.527 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1-c1nn[n-]n1 ZINC000825686948 609183637 /nfs/dbraw/zinc/18/36/37/609183637.db2.gz CNBOXZGUASCAOL-SNVBAGLBSA-N -1 3 385.497 3.527 20 0 GHADHM C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824384887 609232502 /nfs/dbraw/zinc/23/25/02/609232502.db2.gz IJXGKLNETCBNKP-QWHCGFSZSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824384887 609232503 /nfs/dbraw/zinc/23/25/03/609232503.db2.gz IJXGKLNETCBNKP-QWHCGFSZSA-N -1 3 397.866 3.606 20 0 GHADHM Cc1c(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000826240739 609234345 /nfs/dbraw/zinc/23/43/45/609234345.db2.gz FYSNTBUQXGBZDU-NSHDSACASA-N -1 3 383.839 3.676 20 0 GHADHM Cc1c(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000826240739 609234347 /nfs/dbraw/zinc/23/43/47/609234347.db2.gz FYSNTBUQXGBZDU-NSHDSACASA-N -1 3 383.839 3.676 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656797 609270318 /nfs/dbraw/zinc/27/03/18/609270318.db2.gz MWEOIEYUFGBISX-VHKYSDTDSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656797 609270319 /nfs/dbraw/zinc/27/03/19/609270319.db2.gz MWEOIEYUFGBISX-VHKYSDTDSA-N -1 3 379.464 3.722 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000826472342 609297899 /nfs/dbraw/zinc/29/78/99/609297899.db2.gz HKPIIBPXEUSLEA-UHFFFAOYSA-N -1 3 389.793 3.603 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000826472342 609297901 /nfs/dbraw/zinc/29/79/01/609297901.db2.gz HKPIIBPXEUSLEA-UHFFFAOYSA-N -1 3 389.793 3.603 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000537588279 609302104 /nfs/dbraw/zinc/30/21/04/609302104.db2.gz DWXUOHIHYPZIRH-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000537588279 609302106 /nfs/dbraw/zinc/30/21/06/609302106.db2.gz DWXUOHIHYPZIRH-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(NCc1cccc(F)c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443011 609312117 /nfs/dbraw/zinc/31/21/17/609312117.db2.gz WFEIZGYTSPOERM-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1cccc(F)c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826443011 609312119 /nfs/dbraw/zinc/31/21/19/609312119.db2.gz WFEIZGYTSPOERM-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM CCc1cc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)ccc1C ZINC000825700866 609314496 /nfs/dbraw/zinc/31/44/96/609314496.db2.gz XBSCRRGMTOPTJA-GFCCVEGCSA-N -1 3 396.520 3.727 20 0 GHADHM CCc1cc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)ccc1C ZINC000825700866 609314498 /nfs/dbraw/zinc/31/44/98/609314498.db2.gz XBSCRRGMTOPTJA-GFCCVEGCSA-N -1 3 396.520 3.727 20 0 GHADHM C[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824618961 609327811 /nfs/dbraw/zinc/32/78/11/609327811.db2.gz SSQNAGKGFZIOSN-CYBMUJFWSA-N -1 3 382.443 3.573 20 0 GHADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536933 609328517 /nfs/dbraw/zinc/32/85/17/609328517.db2.gz ALMZJADLIIXMDK-KZULUSFZSA-N -1 3 379.443 3.930 20 0 GHADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536933 609328519 /nfs/dbraw/zinc/32/85/19/609328519.db2.gz ALMZJADLIIXMDK-KZULUSFZSA-N -1 3 379.443 3.930 20 0 GHADHM C[C@@H](CSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000824450272 609330053 /nfs/dbraw/zinc/33/00/53/609330053.db2.gz TYPLLFFSAAJXKP-LBPRGKRZSA-N -1 3 387.896 3.996 20 0 GHADHM C[C@@H](CSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000824450272 609330055 /nfs/dbraw/zinc/33/00/55/609330055.db2.gz TYPLLFFSAAJXKP-LBPRGKRZSA-N -1 3 387.896 3.996 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825782848 609342868 /nfs/dbraw/zinc/34/28/68/609342868.db2.gz ROVPVNYHHSBPCU-OLZOCXBDSA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825782848 609342870 /nfs/dbraw/zinc/34/28/70/609342870.db2.gz ROVPVNYHHSBPCU-OLZOCXBDSA-N -1 3 379.443 3.787 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658642 609347346 /nfs/dbraw/zinc/34/73/46/609347346.db2.gz ZDLYYHBIDWBOGY-AWEZNQCLSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658642 609347349 /nfs/dbraw/zinc/34/73/49/609347349.db2.gz ZDLYYHBIDWBOGY-AWEZNQCLSA-N -1 3 397.454 3.984 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367429 609375632 /nfs/dbraw/zinc/37/56/32/609375632.db2.gz PWCPNKLKRQHDIG-MDZRGWNJSA-N -1 3 385.512 3.618 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367429 609375635 /nfs/dbraw/zinc/37/56/35/609375635.db2.gz PWCPNKLKRQHDIG-MDZRGWNJSA-N -1 3 385.512 3.618 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC3CCCC3)nc2)c1-c1nnn[n-]1 ZINC000825687590 609383455 /nfs/dbraw/zinc/38/34/55/609383455.db2.gz JTBAXLUKVSTHSN-UHFFFAOYSA-N -1 3 398.492 3.768 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC3CCCC3)nc2)c1-c1nn[n-]n1 ZINC000825687590 609383457 /nfs/dbraw/zinc/38/34/57/609383457.db2.gz JTBAXLUKVSTHSN-UHFFFAOYSA-N -1 3 398.492 3.768 20 0 GHADHM CC(C)[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC000824192894 609406977 /nfs/dbraw/zinc/40/69/77/609406977.db2.gz OFLPSOWJZGTPHY-GOSISDBHSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC000824192894 609406979 /nfs/dbraw/zinc/40/69/79/609406979.db2.gz OFLPSOWJZGTPHY-GOSISDBHSA-N -1 3 387.846 3.715 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457768 609420003 /nfs/dbraw/zinc/42/00/03/609420003.db2.gz OWSSEPNDHVLLLF-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457768 609420005 /nfs/dbraw/zinc/42/00/05/609420005.db2.gz OWSSEPNDHVLLLF-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000824019603 609421755 /nfs/dbraw/zinc/42/17/55/609421755.db2.gz IEDYEZLNTSZUDB-HNNXBMFYSA-N -1 3 388.431 3.595 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000824019603 609421759 /nfs/dbraw/zinc/42/17/59/609421759.db2.gz IEDYEZLNTSZUDB-HNNXBMFYSA-N -1 3 388.431 3.595 20 0 GHADHM OCc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000826510214 609438485 /nfs/dbraw/zinc/43/84/85/609438485.db2.gz DOQKODLUWWTCLZ-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM OCc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000826510214 609438487 /nfs/dbraw/zinc/43/84/87/609438487.db2.gz DOQKODLUWWTCLZ-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826409929 609449365 /nfs/dbraw/zinc/44/93/65/609449365.db2.gz UWZVVKFIAWBETB-UHFFFAOYSA-N -1 3 390.472 3.574 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826409929 609449366 /nfs/dbraw/zinc/44/93/66/609449366.db2.gz UWZVVKFIAWBETB-UHFFFAOYSA-N -1 3 390.472 3.574 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825108676 609450536 /nfs/dbraw/zinc/45/05/36/609450536.db2.gz ZBKQTRHWDZIDPZ-SECBINFHSA-N -1 3 387.431 3.671 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825108676 609450538 /nfs/dbraw/zinc/45/05/38/609450538.db2.gz ZBKQTRHWDZIDPZ-SECBINFHSA-N -1 3 387.431 3.671 20 0 GHADHM Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826335525 609451613 /nfs/dbraw/zinc/45/16/13/609451613.db2.gz QJECELZAOVWIEZ-QWHCGFSZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826335525 609451614 /nfs/dbraw/zinc/45/16/14/609451614.db2.gz QJECELZAOVWIEZ-QWHCGFSZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)n1C ZINC000826257020 609453230 /nfs/dbraw/zinc/45/32/30/609453230.db2.gz KGVHOIAAFRBIBZ-UHFFFAOYSA-N -1 3 395.410 3.816 20 0 GHADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)n1C ZINC000826257020 609453231 /nfs/dbraw/zinc/45/32/31/609453231.db2.gz KGVHOIAAFRBIBZ-UHFFFAOYSA-N -1 3 395.410 3.816 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823944127 609453600 /nfs/dbraw/zinc/45/36/00/609453600.db2.gz YEHQHJGBGBIKKQ-XFXZXTDPSA-N -1 3 385.374 3.819 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823944127 609453603 /nfs/dbraw/zinc/45/36/03/609453603.db2.gz YEHQHJGBGBIKKQ-XFXZXTDPSA-N -1 3 385.374 3.819 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505369 609454603 /nfs/dbraw/zinc/45/46/03/609454603.db2.gz BQWIBMSPAYWRQM-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505369 609454605 /nfs/dbraw/zinc/45/46/05/609454605.db2.gz BQWIBMSPAYWRQM-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM c1cn2c(cccc2CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826516640 609487973 /nfs/dbraw/zinc/48/79/73/609487973.db2.gz UIGRPLJOMWFIPX-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1cn2c(cccc2CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826516640 609487978 /nfs/dbraw/zinc/48/79/78/609487978.db2.gz UIGRPLJOMWFIPX-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000826116977 609488024 /nfs/dbraw/zinc/48/80/24/609488024.db2.gz GEBYJXQOCMJUMY-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000826116977 609488025 /nfs/dbraw/zinc/48/80/25/609488025.db2.gz GEBYJXQOCMJUMY-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000825638436 609523968 /nfs/dbraw/zinc/52/39/68/609523968.db2.gz LJMQEOIDHVOYHU-INIZCTEOSA-N -1 3 384.871 3.964 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000825638436 609523970 /nfs/dbraw/zinc/52/39/70/609523970.db2.gz LJMQEOIDHVOYHU-INIZCTEOSA-N -1 3 384.871 3.964 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1-c1nnn[n-]1 ZINC000826240302 609524948 /nfs/dbraw/zinc/52/49/48/609524948.db2.gz MAMJDWRMVAOWSB-HNNXBMFYSA-N -1 3 382.859 3.909 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1-c1nn[n-]n1 ZINC000826240302 609524951 /nfs/dbraw/zinc/52/49/51/609524951.db2.gz MAMJDWRMVAOWSB-HNNXBMFYSA-N -1 3 382.859 3.909 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCO1 ZINC000825184333 609530002 /nfs/dbraw/zinc/53/00/02/609530002.db2.gz SDOYGLNRSCJUSF-ZIAGYGMSSA-N -1 3 383.477 3.739 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCO1 ZINC000825184333 609530003 /nfs/dbraw/zinc/53/00/03/609530003.db2.gz SDOYGLNRSCJUSF-ZIAGYGMSSA-N -1 3 383.477 3.739 20 0 GHADHM Cc1ccnc(N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826311312 609535316 /nfs/dbraw/zinc/53/53/16/609535316.db2.gz AJTRKCVKKDOBBL-HNNXBMFYSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccnc(N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826311312 609535318 /nfs/dbraw/zinc/53/53/18/609535318.db2.gz AJTRKCVKKDOBBL-HNNXBMFYSA-N -1 3 399.458 3.996 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826180017 609553294 /nfs/dbraw/zinc/55/32/94/609553294.db2.gz PANAYKOQGONIDV-VIFPVBQESA-N -1 3 392.822 3.553 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826180017 609553296 /nfs/dbraw/zinc/55/32/96/609553296.db2.gz PANAYKOQGONIDV-VIFPVBQESA-N -1 3 392.822 3.553 20 0 GHADHM Cc1ccnc(N[C@@H](COCc2ccccc2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311649 609559003 /nfs/dbraw/zinc/55/90/03/609559003.db2.gz KHDZAEBPBWPZOK-IBGZPJMESA-N -1 3 386.459 3.940 20 0 GHADHM Cc1ccnc(N[C@@H](COCc2ccccc2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311649 609559005 /nfs/dbraw/zinc/55/90/05/609559005.db2.gz KHDZAEBPBWPZOK-IBGZPJMESA-N -1 3 386.459 3.940 20 0 GHADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825265733 609595597 /nfs/dbraw/zinc/59/55/97/609595597.db2.gz AMRAXSNKDGBZKM-QGZVFWFLSA-N -1 3 393.495 3.546 20 0 GHADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825265733 609595599 /nfs/dbraw/zinc/59/55/99/609595599.db2.gz AMRAXSNKDGBZKM-QGZVFWFLSA-N -1 3 393.495 3.546 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826373226 609608708 /nfs/dbraw/zinc/60/87/08/609608708.db2.gz FCVMHQGIFKHMHU-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826373226 609608710 /nfs/dbraw/zinc/60/87/10/609608710.db2.gz FCVMHQGIFKHMHU-AWEZNQCLSA-N -1 3 387.287 3.677 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825183987 609624069 /nfs/dbraw/zinc/62/40/69/609624069.db2.gz QGSGYAWDGJMTRF-ROUUACIJSA-N -1 3 392.459 3.782 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825183987 609624071 /nfs/dbraw/zinc/62/40/71/609624071.db2.gz QGSGYAWDGJMTRF-ROUUACIJSA-N -1 3 392.459 3.782 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc(Cl)c1[O-] ZINC000186757270 837390168 /nfs/dbraw/zinc/39/01/68/837390168.db2.gz IHEIXQFIKPZBHR-MRXNPFEDSA-N -1 3 392.883 3.913 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[n-]1 ZINC000617872319 837480080 /nfs/dbraw/zinc/48/00/80/837480080.db2.gz ROLQJDRWGOGZFG-OLZOCXBDSA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c[n-]1 ZINC000617872319 837480085 /nfs/dbraw/zinc/48/00/85/837480085.db2.gz ROLQJDRWGOGZFG-OLZOCXBDSA-N -1 3 396.472 3.885 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(F)(F)F ZINC000625284301 837492523 /nfs/dbraw/zinc/49/25/23/837492523.db2.gz GQCPMQGKQNUHJM-ZETCQYMHSA-N -1 3 392.321 3.604 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C\c3cccnc3)cc2)cc1 ZINC000255078019 837582247 /nfs/dbraw/zinc/58/22/47/837582247.db2.gz WYUOCGBEZXLTOU-MLPAPPSSSA-N -1 3 393.468 3.843 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000017334510 837693843 /nfs/dbraw/zinc/69/38/43/837693843.db2.gz GKMZBTXNOFZJEL-UHFFFAOYSA-N -1 3 398.459 3.899 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000605589787 837748231 /nfs/dbraw/zinc/74/82/31/837748231.db2.gz RSNTXSWOSITIST-HWPZZCPQSA-N -1 3 375.824 3.673 20 0 GHADHM COc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(OC(C)C)c1 ZINC000784905047 834524863 /nfs/dbraw/zinc/52/48/63/834524863.db2.gz ONBMZDCHMORGEI-UHFFFAOYSA-N -1 3 384.388 3.595 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CO)c3ccccc3Cl)nc2)n1 ZINC000583556983 834636429 /nfs/dbraw/zinc/63/64/29/834636429.db2.gz LHJVCAVYSNLASB-CQSZACIVSA-N -1 3 384.867 3.648 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@@H](c4ccncc4)C3)nc2)n1 ZINC000584451132 834652417 /nfs/dbraw/zinc/65/24/17/834652417.db2.gz LVEYNJANTSZSDB-QZTJIDSGSA-N -1 3 377.448 3.534 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C)c(C(C)=O)c2)[nH][n-]1 ZINC000448093307 834799345 /nfs/dbraw/zinc/79/93/45/834799345.db2.gz IIAKWTLIGKGOBA-UHFFFAOYSA-N -1 3 383.835 3.924 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(O)cc1[O-] ZINC000171490203 834926693 /nfs/dbraw/zinc/92/66/93/834926693.db2.gz OFEMDKDOBUCNHL-UHFFFAOYSA-N -1 3 399.450 3.940 20 0 GHADHM CCSCc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000610194320 835002502 /nfs/dbraw/zinc/00/25/02/835002502.db2.gz ZBSPOFXNVFURDY-UHFFFAOYSA-N -1 3 381.519 3.766 20 0 GHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1Cl ZINC000500785255 844013829 /nfs/dbraw/zinc/01/38/29/844013829.db2.gz FXRWOJKNCXJWSK-UHFFFAOYSA-N -1 3 381.910 3.812 20 0 GHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1Cl ZINC000500786441 844014237 /nfs/dbraw/zinc/01/42/37/844014237.db2.gz KDJMTCKGONWYSA-UHFFFAOYSA-N -1 3 375.881 3.751 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000536139214 835110196 /nfs/dbraw/zinc/11/01/96/835110196.db2.gz BYZNOSMETUNOPA-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM COCc1nc(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cs1 ZINC000685602982 835211978 /nfs/dbraw/zinc/21/19/78/835211978.db2.gz PAQPXPLOFASWEH-UHFFFAOYSA-N -1 3 395.333 3.692 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000611798755 835358530 /nfs/dbraw/zinc/35/85/30/835358530.db2.gz VPTLYTOFWNNETO-INIZCTEOSA-N -1 3 384.501 3.539 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000109189043 835443837 /nfs/dbraw/zinc/44/38/37/835443837.db2.gz GOFJGIAZOOUHJK-CYBMUJFWSA-N -1 3 396.878 3.604 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000151461422 835446852 /nfs/dbraw/zinc/44/68/52/835446852.db2.gz DSIITPQGYJGCQO-ADLMAVQZSA-N -1 3 393.409 3.558 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1F ZINC000513005431 844088379 /nfs/dbraw/zinc/08/83/79/844088379.db2.gz WAQVOYRNBWSLAK-KBXCAEBGSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1occc1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683261656 835791598 /nfs/dbraw/zinc/79/15/98/835791598.db2.gz BNJVCXASQAGUFC-UHFFFAOYSA-N -1 3 395.640 3.775 20 0 GHADHM COc1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)ccc1OC(F)F ZINC000512536970 844091167 /nfs/dbraw/zinc/09/11/67/844091167.db2.gz XNXNPFBNEAKIND-UHFFFAOYSA-N -1 3 387.386 3.978 20 0 GHADHM COc1cc(-c2nc([C@H](NC(=O)OC(C)(C)C)C(C)C)no2)cc(OC)c1[O-] ZINC000274944165 835849060 /nfs/dbraw/zinc/84/90/60/835849060.db2.gz CBBIGDRYAUSAKR-CQSZACIVSA-N -1 3 393.440 3.681 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1ccc(C)c(C)c1 ZINC001211615073 835936479 /nfs/dbraw/zinc/93/64/79/835936479.db2.gz WGKQQGXSBYTXEZ-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CC[C@H]3Cc4ccccc4NC3=O)[nH][n-]2)c1 ZINC000512540115 844112640 /nfs/dbraw/zinc/11/26/40/844112640.db2.gz JYNAMBDTSBGVAP-KRWDZBQOSA-N -1 3 388.471 3.645 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)nnn1-c1cccc(C)c1 ZINC000512540189 844113627 /nfs/dbraw/zinc/11/36/27/844113627.db2.gz LDVQAPYBUIYADQ-UHFFFAOYSA-N -1 3 386.459 3.565 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1nccs1 ZINC000282352337 836277474 /nfs/dbraw/zinc/27/74/74/836277474.db2.gz SNDUYFWBEJACOD-QMMMGPOBSA-N -1 3 395.731 3.641 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)c([O-])c1 ZINC000472445190 836453892 /nfs/dbraw/zinc/45/38/92/836453892.db2.gz UXFZWCRCKDJLFT-UHFFFAOYSA-N -1 3 395.387 3.707 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000052023601 844177809 /nfs/dbraw/zinc/17/78/09/844177809.db2.gz PTFRZMHUGXLXGH-UHFFFAOYSA-N -1 3 399.509 3.648 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Oc1cccc(C)c1 ZINC000570301650 836660972 /nfs/dbraw/zinc/66/09/72/836660972.db2.gz BWKHLKDWSOJEQO-CYBMUJFWSA-N 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/nfs/dbraw/zinc/06/27/73/837062773.db2.gz UQHDCSJSRVRVLG-UHFFFAOYSA-N -1 3 375.266 3.900 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1CCN(c2ccccc2F)C1 ZINC000685831824 837104662 /nfs/dbraw/zinc/10/46/62/837104662.db2.gz BUSRGLQLUMCKBM-AWEZNQCLSA-N -1 3 391.406 3.822 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000431721994 837129405 /nfs/dbraw/zinc/12/94/05/837129405.db2.gz KBJIRTYJMYDPIK-UHFFFAOYSA-N -1 3 386.666 3.710 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000613153882 837322234 /nfs/dbraw/zinc/32/22/34/837322234.db2.gz GGLSXRQWMRUKFS-KRWDZBQOSA-N -1 3 395.427 3.929 20 0 GHADHM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000186619218 837329013 /nfs/dbraw/zinc/32/90/13/837329013.db2.gz XIKTZJQHZHDTBX-UHFFFAOYSA-N -1 3 397.287 3.824 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2ccc(Cl)c(Br)c2)c(=O)[n-]1 ZINC000836116455 837338238 /nfs/dbraw/zinc/33/82/38/837338238.db2.gz WIQVDMDRJUJHDE-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CCN(C)C)C3CCCC3)n2)cc1 ZINC000468618476 837870912 /nfs/dbraw/zinc/87/09/12/837870912.db2.gz LDFNRFWFUZPJPX-UHFFFAOYSA-N -1 3 384.524 3.648 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000433456780 844270369 /nfs/dbraw/zinc/27/03/69/844270369.db2.gz XVBVBSLPRLQLNZ-AWEZNQCLSA-N -1 3 382.888 3.674 20 0 GHADHM COC[C@@H](COc1ccc2c([O-])coc2c1)c1ccc(Br)cc1 ZINC000664135458 844273986 /nfs/dbraw/zinc/27/39/86/844273986.db2.gz LUDIPASSFNFHAO-ZDUSSCGKSA-N -1 3 377.234 3.833 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1 ZINC000728261987 838098284 /nfs/dbraw/zinc/09/82/84/838098284.db2.gz YLGGVJIDQLIBPW-UHFFFAOYSA-N -1 3 386.448 3.856 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000589166041 838333474 /nfs/dbraw/zinc/33/34/74/838333474.db2.gz PGUFGPGICQDVHJ-SNVBAGLBSA-N -1 3 377.231 3.606 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc[nH]c3C)ccc2C)cc1 ZINC000178859172 838482617 /nfs/dbraw/zinc/48/26/17/838482617.db2.gz VSFYRYLJBQXZJY-UHFFFAOYSA-N -1 3 399.472 3.693 20 0 GHADHM O=S(=O)([N-]CC1(CCOCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000472635232 838502964 /nfs/dbraw/zinc/50/29/64/838502964.db2.gz BGWRWIKYPGZCFD-UHFFFAOYSA-N -1 3 381.444 3.630 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)sc1Cl ZINC000188068643 838514299 /nfs/dbraw/zinc/51/42/99/838514299.db2.gz HEJJJAVBZSZHND-UHFFFAOYSA-N -1 3 390.861 3.706 20 0 GHADHM [O-]C(=Cc1nc(-c2ccc(N3CCOCC3)cc2)no1)c1ccccc1Cl ZINC001211646936 838536475 /nfs/dbraw/zinc/53/64/75/838536475.db2.gz DLSRBAHWIBMQGB-UHFFFAOYSA-N -1 3 383.835 3.652 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181336509 838582713 /nfs/dbraw/zinc/58/27/13/838582713.db2.gz PWKNYVXSVDQUMX-AWEZNQCLSA-N -1 3 382.851 3.851 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Br)N1CCC(OC2CCCC2)CC1 ZINC000659786993 838668809 /nfs/dbraw/zinc/66/88/09/838668809.db2.gz YRRHUGQZXPLCCE-KRWDZBQOSA-N -1 3 382.298 3.998 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCC([C@@H]2CCCCO2)CC1 ZINC000659790054 838670758 /nfs/dbraw/zinc/67/07/58/838670758.db2.gz SCOCWMCKZBMKIN-DLBZAZTESA-N -1 3 382.298 3.856 20 0 GHADHM O=C([O-])C[C@H](NCc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000756385091 838725583 /nfs/dbraw/zinc/72/55/83/838725583.db2.gz FGQXZUHBGVPVHD-AWEZNQCLSA-N -1 3 381.295 3.916 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182790321 838825591 /nfs/dbraw/zinc/82/55/91/838825591.db2.gz QYNUHIBEIQFZIH-SFHVURJKSA-N -1 3 394.431 3.559 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000182891113 838847447 /nfs/dbraw/zinc/84/74/47/838847447.db2.gz WQUXQKSJHQTCQF-FVJLSDCUSA-N -1 3 380.488 3.758 20 0 GHADHM O=C(c1ccc(N2CCCc3ccccc32)cc1)N1CCCc2c(=O)[n-]cnc21 ZINC000893211612 838906850 /nfs/dbraw/zinc/90/68/50/838906850.db2.gz RJCQIFVOLXDDRX-UHFFFAOYSA-N -1 3 386.455 3.860 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4nccnc4cc3F)c2)n1 ZINC000377074431 838962917 /nfs/dbraw/zinc/96/29/17/838962917.db2.gz SYHDYVRGJVZUIP-UHFFFAOYSA-N -1 3 389.390 3.746 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N([C@H](C)C3CC3)C3CC3)cs2)c1 ZINC000183496066 839000528 /nfs/dbraw/zinc/00/05/28/839000528.db2.gz ZLOROHMOXPJABS-CYBMUJFWSA-N -1 3 399.516 3.741 20 0 GHADHM COCc1cccc(OCC2(CN3CCc4ccc(C(=O)[O-])cc4C3)CC2)c1 ZINC000580206647 839054545 /nfs/dbraw/zinc/05/45/45/839054545.db2.gz FIQRTDDLQKMOCW-UHFFFAOYSA-N -1 3 381.472 3.749 20 0 GHADHM Nc1ccc2c(c1)c(I)nn2-c1cccc([O-])c1Cl ZINC001210855311 839132536 /nfs/dbraw/zinc/13/25/36/839132536.db2.gz WDXXTFIGQFRCEX-UHFFFAOYSA-N -1 3 385.592 3.571 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[O-] ZINC000613654034 839150534 /nfs/dbraw/zinc/15/05/34/839150534.db2.gz YZJKULJTVAFRLE-ROUUACIJSA-N -1 3 394.254 3.632 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000416505031 839332447 /nfs/dbraw/zinc/33/24/47/839332447.db2.gz ZXXHTFBOFZCSDP-JTQLQIEISA-N -1 3 385.835 3.842 20 0 GHADHM COC(=O)[C@@H]1CCCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000378565464 839341625 /nfs/dbraw/zinc/34/16/25/839341625.db2.gz DVXKQXBMHFVGGF-ZDUSSCGKSA-N -1 3 387.461 3.575 20 0 GHADHM CCOC(=O)C1CCN(Cc2cccc(Nc3ccccc3C(=O)[O-])c2)CC1 ZINC001210969532 839360836 /nfs/dbraw/zinc/36/08/36/839360836.db2.gz SMDRLLGREYOPHD-UHFFFAOYSA-N -1 3 382.460 3.904 20 0 GHADHM O=C([O-])c1cnn(C2CCN(Cc3ccccc3OCc3ccccc3)CC2)c1 ZINC000656190839 839370068 /nfs/dbraw/zinc/37/00/68/839370068.db2.gz GUEZMWOYFMYHHR-UHFFFAOYSA-N -1 3 391.471 3.997 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c(C)cc1C ZINC000471569142 839440637 /nfs/dbraw/zinc/44/06/37/839440637.db2.gz FEFXZYJPHRDITP-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000545378115 839474888 /nfs/dbraw/zinc/47/48/88/839474888.db2.gz CAYWWORPYKUNFG-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000545378115 839474897 /nfs/dbraw/zinc/47/48/97/839474897.db2.gz CAYWWORPYKUNFG-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(F)(F)F ZINC000416612013 839489378 /nfs/dbraw/zinc/48/93/78/839489378.db2.gz YLKHTWXVWRIZNQ-ZETCQYMHSA-N -1 3 394.640 3.969 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000728937839 844452036 /nfs/dbraw/zinc/45/20/36/844452036.db2.gz UNKPCGDDTDYLLY-LLVKDONJSA-N -1 3 383.853 3.638 20 0 GHADHM O=c1[n-]c(CN[C@H](c2nccs2)C(F)(F)F)nc2c3ccccc3oc21 ZINC000549852236 844474775 /nfs/dbraw/zinc/47/47/75/844474775.db2.gz NJVNKUWOEKPERP-CYBMUJFWSA-N -1 3 380.351 3.931 20 0 GHADHM COC[C@@H](Cc1ccccc1)N(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000580574581 839825982 /nfs/dbraw/zinc/82/59/82/839825982.db2.gz BIMPEPFGTYIINW-GOSISDBHSA-N -1 3 380.444 3.729 20 0 GHADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000460579660 839859877 /nfs/dbraw/zinc/85/98/77/839859877.db2.gz APZGRQWPXSLLAE-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000129979895 840069706 /nfs/dbraw/zinc/06/97/06/840069706.db2.gz ILAJHRCQNAPXGC-KGLIPLIRSA-N -1 3 384.398 3.778 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000416998777 840365836 /nfs/dbraw/zinc/36/58/36/840365836.db2.gz BMKLKCPXAIBBFN-GJZGRUSLSA-N -1 3 380.492 3.790 20 0 GHADHM CCCCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000175974113 840663134 /nfs/dbraw/zinc/66/31/34/840663134.db2.gz OQGYJFUOGIDOSY-KRWDZBQOSA-N -1 3 378.494 3.548 20 0 GHADHM O=c1cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)nc(-c2ccccc2)[n-]1 ZINC000656415381 840769281 /nfs/dbraw/zinc/76/92/81/840769281.db2.gz BZPLAOLMCLIGPX-KRWDZBQOSA-N -1 3 377.448 3.837 20 0 GHADHM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1noc(C(F)F)n1 ZINC000644775209 840771647 /nfs/dbraw/zinc/77/16/47/840771647.db2.gz AEDJGPOZWJTJLZ-LBPRGKRZSA-N -1 3 387.386 3.989 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(I)ccc1[O-] ZINC000610486418 840851046 /nfs/dbraw/zinc/85/10/46/840851046.db2.gz WNISZPPOBXLOSF-YGRLFVJLSA-N -1 3 389.233 3.531 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccsc1 ZINC000159116493 840912435 /nfs/dbraw/zinc/91/24/35/840912435.db2.gz MGRPBGQHCRCRPF-SECBINFHSA-N -1 3 392.424 3.881 20 0 GHADHM COc1ccc(C(=O)Nc2cc(I)ccc2[O-])c(C)c1 ZINC000610490153 840949499 /nfs/dbraw/zinc/94/94/99/840949499.db2.gz CQSQYDXHFZLYBR-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2cc(I)ccc2[O-])no1 ZINC000610490984 840972533 /nfs/dbraw/zinc/97/25/33/840972533.db2.gz OUXGDZYJAZKKLS-UHFFFAOYSA-N -1 3 386.189 3.535 20 0 GHADHM Cc1ccccc1-n1cc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nn1 ZINC000417546829 840979916 /nfs/dbraw/zinc/97/99/16/840979916.db2.gz NFEJNJFOUKZWNE-MRXNPFEDSA-N -1 3 384.867 3.577 20 0 GHADHM CCOc1cc(C=NNc2nc3ccccc3[nH]2)cc(Br)c1[O-] ZINC000026533532 840992697 /nfs/dbraw/zinc/99/26/97/840992697.db2.gz LOQLWOYGNAKZPC-UHFFFAOYSA-N -1 3 375.226 3.876 20 0 GHADHM Cc1ccc(C[C@@H](CNCc2c(F)cccc2Br)C(=O)[O-])cc1 ZINC000417562715 841012776 /nfs/dbraw/zinc/01/27/76/841012776.db2.gz JCRQRJYRIJTWQM-AWEZNQCLSA-N -1 3 380.257 3.930 20 0 GHADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1cnc(C(F)(F)F)s1 ZINC000417563718 841013801 /nfs/dbraw/zinc/01/38/01/841013801.db2.gz NTTYYMOIKASOME-LLVKDONJSA-N -1 3 382.766 3.740 20 0 GHADHM CCC[C@@H](C)C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000417568008 841017823 /nfs/dbraw/zinc/01/78/23/841017823.db2.gz SQZHTBIRBIHOQP-DOMZBBRYSA-N -1 3 376.478 3.908 20 0 GHADHM CC(C)c1ccc(CN[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1 ZINC000417607613 841051577 /nfs/dbraw/zinc/05/15/77/841051577.db2.gz HHNHDIGXRINLDF-FGZHOGPDSA-N -1 3 396.531 3.736 20 0 GHADHM Cn1c(CN[C@H](CCSc2ccccc2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000417614224 841066900 /nfs/dbraw/zinc/06/69/00/841066900.db2.gz DZIORTMMWOSGJA-OAHLLOKOSA-N -1 3 389.908 3.952 20 0 GHADHM CC(C)=CCSC[C@H](NCc1ccc(Br)cc1F)C(=O)[O-] ZINC000417624317 841076103 /nfs/dbraw/zinc/07/61/03/841076103.db2.gz KGXZENANPNOPNF-AWEZNQCLSA-N -1 3 376.291 3.830 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC000417639162 841090883 /nfs/dbraw/zinc/09/08/83/841090883.db2.gz LKYPEUSUYVWHAG-BLLLJJGKSA-N -1 3 394.313 3.952 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000584875455 841146290 /nfs/dbraw/zinc/14/62/90/841146290.db2.gz BHRFIGXJRJMWQD-QGZVFWFLSA-N -1 3 387.277 3.695 20 0 GHADHM COCCCCN(C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000419387916 844615435 /nfs/dbraw/zinc/61/54/35/844615435.db2.gz ROEFLWJARHIUMP-UHFFFAOYSA-N -1 3 387.505 3.519 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000549522682 841238284 /nfs/dbraw/zinc/23/82/84/841238284.db2.gz DXBZCSQULBQGCR-HXUWFJFHSA-N -1 3 390.336 3.656 20 0 GHADHM CCCc1nnc([N-]C(=O)c2scc(C)c2I)s1 ZINC000276209735 841377791 /nfs/dbraw/zinc/37/77/91/841377791.db2.gz KATRGIANDCQLSA-UHFFFAOYSA-N -1 3 393.275 3.717 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000656565124 841416303 /nfs/dbraw/zinc/41/63/03/841416303.db2.gz FCGUSLZYXJVFLX-MOPGFXCFSA-N -1 3 375.852 3.813 20 0 GHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc3c(c2)oc2ccccc23)C2CC2)no1 ZINC000651717193 841430004 /nfs/dbraw/zinc/43/00/04/841430004.db2.gz VWGKEOAGZCZVLE-FQEVSTJZSA-N -1 3 397.456 3.881 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3cccc(C)c3)c2)n1 ZINC000049301778 841498872 /nfs/dbraw/zinc/49/88/72/841498872.db2.gz GIKZQXMDGOYZFF-HNNXBMFYSA-N -1 3 377.444 3.714 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2)n1 ZINC000049303700 841501768 /nfs/dbraw/zinc/50/17/68/841501768.db2.gz AAAWVXMIVKINPT-RBUKOAKNSA-N -1 3 377.419 3.881 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1)C1CCCC1 ZINC000656617255 841574062 /nfs/dbraw/zinc/57/40/62/841574062.db2.gz FTTBANXECOXVOY-FQEVSTJZSA-N -1 3 390.505 3.608 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1c(F)cc(Br)cc1F)C1CCCC1 ZINC000656624104 841595618 /nfs/dbraw/zinc/59/56/18/841595618.db2.gz KKGJEVXZMYFXGM-CYBMUJFWSA-N -1 3 398.269 3.674 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cc(OC)c1C(C)C ZINC000656627365 841608114 /nfs/dbraw/zinc/60/81/14/841608114.db2.gz ZITYPDDMYANFIP-SFHVURJKSA-N -1 3 385.526 3.774 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)[C@H]1CCOC1 ZINC000656628594 841620587 /nfs/dbraw/zinc/62/05/87/841620587.db2.gz PLPSEIFVWIPOEG-SUMWQHHRSA-N -1 3 383.897 3.595 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(F)(F)F ZINC000656634516 841622032 /nfs/dbraw/zinc/62/20/32/841622032.db2.gz BOPVYJGYPSSDPE-UHFFFAOYSA-N -1 3 375.368 3.661 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000581540273 841630813 /nfs/dbraw/zinc/63/08/13/841630813.db2.gz SDGSQMCMAFLVRY-AYVTZFPOSA-N -1 3 393.333 3.784 20 0 GHADHM O=c1[n-]c(CN2CC[C@@H](n3ncc4ccccc43)C2)nc2c3ccccc3oc21 ZINC000510433407 841681971 /nfs/dbraw/zinc/68/19/71/841681971.db2.gz BKZGPKUFGKEUII-OAHLLOKOSA-N -1 3 385.427 3.878 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc(Br)cnc1Cl ZINC000756729329 841790654 /nfs/dbraw/zinc/79/06/54/841790654.db2.gz KFVQEUQXSDGGLY-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)n1 ZINC000656739415 841863373 /nfs/dbraw/zinc/86/33/73/841863373.db2.gz RMRXRMMUJZWOCI-UHFFFAOYSA-N -1 3 385.283 3.741 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCCCC2)no1 ZINC000046800171 841873960 /nfs/dbraw/zinc/87/39/60/841873960.db2.gz NWVQEHRUKMXYFX-UHFFFAOYSA-N -1 3 389.399 3.535 20 0 GHADHM Cc1nc(C)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(=O)[n-]1 ZINC000051157114 842010901 /nfs/dbraw/zinc/01/09/01/842010901.db2.gz YANQVAVFRUMXHR-HNNXBMFYSA-N -1 3 398.875 3.583 20 0 GHADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000467761153 842121656 /nfs/dbraw/zinc/12/16/56/842121656.db2.gz YQPUHLOBAMHOCP-UHFFFAOYSA-N -1 3 380.322 3.588 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3cc(F)ccc3F)nc(=O)c2c1C ZINC000007069218 842237895 /nfs/dbraw/zinc/23/78/95/842237895.db2.gz VXEKNIJJYMFONK-UHFFFAOYSA-N -1 3 382.413 3.650 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000730812188 861298930 /nfs/dbraw/zinc/29/89/30/861298930.db2.gz NEWRCFDLXSCKLK-UHFFFAOYSA-N -1 3 394.306 3.844 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)CCCC(=O)[O-])ccc21 ZINC000430667617 842417668 /nfs/dbraw/zinc/41/76/68/842417668.db2.gz WCCDHHKUBPOOCM-OAHLLOKOSA-N -1 3 381.476 3.938 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000278984950 842430583 /nfs/dbraw/zinc/43/05/83/842430583.db2.gz KIWCQEWWSYQFLO-LBPRGKRZSA-N -1 3 390.365 3.857 20 0 GHADHM CC(C)=CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000276672924 842487415 /nfs/dbraw/zinc/48/74/15/842487415.db2.gz DNRFDNQKJJXKJA-UHFFFAOYSA-N -1 3 379.888 3.762 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](c1ccsc1)N(C)C ZINC000471795629 842566289 /nfs/dbraw/zinc/56/62/89/842566289.db2.gz BCPUZQWSOPVEFQ-OAHLLOKOSA-N -1 3 382.482 3.523 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)[N-]C(=O)c1cccs1 ZINC000730877221 861325396 /nfs/dbraw/zinc/32/53/96/861325396.db2.gz QRABANCBSRBNHX-DLBZAZTESA-N -1 3 379.437 3.505 20 0 GHADHM CCOc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1OC ZINC000512158386 842684731 /nfs/dbraw/zinc/68/47/31/842684731.db2.gz CJPAVQMXTBENRB-UHFFFAOYSA-N -1 3 396.317 3.941 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc(C)c1F ZINC000432495664 842695229 /nfs/dbraw/zinc/69/52/29/842695229.db2.gz IVSDTONKKFKBIN-QGZVFWFLSA-N -1 3 378.469 3.629 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000471837130 842773947 /nfs/dbraw/zinc/77/39/47/842773947.db2.gz ZBMQUMKNOHOZJX-OAHLLOKOSA-N -1 3 398.463 3.927 20 0 GHADHM CN(c1ccccc1)c1ccc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)cn1 ZINC000663260562 842936071 /nfs/dbraw/zinc/93/60/71/842936071.db2.gz BJCVXULLBSCFBJ-HNNXBMFYSA-N -1 3 381.398 3.982 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000663261691 842938724 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CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000279650401 843194796 /nfs/dbraw/zinc/19/47/96/843194796.db2.gz WPYHCMKOFGIBMJ-UHFFFAOYSA-N -1 3 399.373 3.742 20 0 GHADHM CCCCOc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1OCC ZINC000512308626 843354189 /nfs/dbraw/zinc/35/41/89/843354189.db2.gz JQUXXTBMTOJUPS-UHFFFAOYSA-N -1 3 380.448 3.724 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)cs2)c(C)c1 ZINC000512310512 843360266 /nfs/dbraw/zinc/36/02/66/843360266.db2.gz WAFDNUDTYMLRKI-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM C[C@H](CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)CC(C)(C)C ZINC001211525753 843436732 /nfs/dbraw/zinc/43/67/32/843436732.db2.gz CZEBWLGLZSEART-JCQPUDPBSA-N -1 3 378.535 3.579 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2scc(C)c2Cl)cc1OC ZINC000276848776 843557462 /nfs/dbraw/zinc/55/74/62/843557462.db2.gz IXZOCJLWNZVLPS-UHFFFAOYSA-N -1 3 388.898 3.732 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000314733989 843601661 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COC(=O)c1coc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000729152511 844751836 /nfs/dbraw/zinc/75/18/36/844751836.db2.gz IOCVUTYCLRCXMZ-UHFFFAOYSA-N -1 3 393.421 3.775 20 0 GHADHM CSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052750105 844785694 /nfs/dbraw/zinc/78/56/94/844785694.db2.gz DXRIZEPVBLCCSB-RDTXWAMCSA-N -1 3 384.501 3.596 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000277160796 844871837 /nfs/dbraw/zinc/87/18/37/844871837.db2.gz DFXRSWDCDIOPFF-MRXNPFEDSA-N -1 3 383.872 3.964 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3[C@@H]4Cc5cc(Cl)ccc5[C@@H]43)nc21 ZINC000599704041 861514943 /nfs/dbraw/zinc/51/49/43/861514943.db2.gz FWBMUMVVRHUTQK-VNQPRFMTSA-N -1 3 381.819 3.527 20 0 GHADHM COCc1cccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000500876278 845064306 /nfs/dbraw/zinc/06/43/06/845064306.db2.gz OSEBKUFQSXTOLK-UHFFFAOYSA-N -1 3 378.432 3.626 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000429998919 845100406 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GHADHM C[C@@H]1CN(Cc2ccc(CNCc3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC000509790287 845409593 /nfs/dbraw/zinc/40/95/93/845409593.db2.gz XHBFHIHUVHJKCO-GASCZTMLSA-N -1 3 376.447 3.569 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429863436 845431895 /nfs/dbraw/zinc/43/18/95/845431895.db2.gz CNZGTYGFMXTTEP-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000179414603 861571179 /nfs/dbraw/zinc/57/11/79/861571179.db2.gz OHJOSRWIFLYVDH-HXUWFJFHSA-N -1 3 391.427 3.822 20 0 GHADHM COc1cc(Br)c(CNCCCCCCCC(=O)[O-])cc1OC ZINC000277270439 845487807 /nfs/dbraw/zinc/48/78/07/845487807.db2.gz LJXMKGRPHLJOJW-UHFFFAOYSA-N -1 3 388.302 3.981 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000431278842 845490872 /nfs/dbraw/zinc/49/08/72/845490872.db2.gz IEKODCLFGASRQF-CZUORRHYSA-N -1 3 391.464 3.713 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000513509330 845548499 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396.487 3.809 20 0 GHADHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434008097 846167883 /nfs/dbraw/zinc/16/78/83/846167883.db2.gz YXMIPYCGUTUCMF-UHFFFAOYSA-N -1 3 393.374 3.553 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC001269123966 846184106 /nfs/dbraw/zinc/18/41/06/846184106.db2.gz OZJXPEKJQDTOOP-AWEZNQCLSA-N -1 3 387.480 3.755 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c(C(F)(F)F)n1 ZINC000280535764 846436730 /nfs/dbraw/zinc/43/67/30/846436730.db2.gz CMDQWNLBKOVWFJ-UHFFFAOYSA-N -1 3 399.373 3.756 20 0 GHADHM Cn1c(SCC(=O)Nc2ccc(Cl)cc2[O-])nnc1-c1cccs1 ZINC000179637435 861676588 /nfs/dbraw/zinc/67/65/88/861676588.db2.gz KQHMOSIPWQVXNG-UHFFFAOYSA-N -1 3 380.882 3.633 20 0 GHADHM O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NCc1ncccc1[O-] ZINC000472178983 846461517 /nfs/dbraw/zinc/46/15/17/846461517.db2.gz ARPQCYUQHFRJNA-UHFFFAOYSA-N -1 3 379.247 3.617 20 0 GHADHM CCc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)oc1CC ZINC000421681382 846485011 /nfs/dbraw/zinc/48/50/11/846485011.db2.gz HLHSCHKIEDBVSO-UHFFFAOYSA-N -1 3 394.191 3.600 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@H]1CCCc1ccccc1 ZINC000161171475 846602054 /nfs/dbraw/zinc/60/20/54/846602054.db2.gz HOUKGKDIKGZTBW-SFHVURJKSA-N -1 3 375.472 3.941 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000419609307 846697105 /nfs/dbraw/zinc/69/71/05/846697105.db2.gz WUQOTVWTHXRHNF-UHFFFAOYSA-N -1 3 397.544 3.774 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(F)(F)F ZINC000277547074 846871943 /nfs/dbraw/zinc/87/19/43/846871943.db2.gz BRLHMPRKOJXVKG-ZBEGNZNMSA-N -1 3 396.413 3.578 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCO[C@H](C)C3)cc2)cc1 ZINC000272116180 846994602 /nfs/dbraw/zinc/99/46/02/846994602.db2.gz SCDVLNSCGAVLQW-HZPDHXFCSA-N -1 3 388.489 3.549 20 0 GHADHM Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1nc(C)ccc1[O-] ZINC000501777497 847177545 /nfs/dbraw/zinc/17/75/45/847177545.db2.gz ZWTCVXORKCUBRY-FQEVSTJZSA-N -1 3 396.466 3.611 20 0 GHADHM CCOc1cc(Br)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179768265 861766440 /nfs/dbraw/zinc/76/64/40/861766440.db2.gz NQDFCFNCDJFWAC-UHFFFAOYSA-N -1 3 392.175 3.974 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2nccs2)c2ccccc2)cc1 ZINC000731630660 861772900 /nfs/dbraw/zinc/77/29/00/861772900.db2.gz KWMLSVLDFZHHAU-INIZCTEOSA-N -1 3 388.395 3.833 20 0 GHADHM CCOc1cc(-c2ccccc2)sc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000273273312 847289518 /nfs/dbraw/zinc/28/95/18/847289518.db2.gz ROTFRGNQJASPMW-UHFFFAOYSA-N -1 3 381.457 3.508 20 0 GHADHM O=C(c1ccccc1NCCC1=CCCCC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273447765 847341005 /nfs/dbraw/zinc/34/10/05/847341005.db2.gz GYOLTIKWRDPPKM-UHFFFAOYSA-N -1 3 378.476 3.683 20 0 GHADHM COc1cc(-c2noc(-c3ccc4cncn4c3)n2)cc(Br)c1[O-] ZINC000350607926 861785638 /nfs/dbraw/zinc/78/56/38/861785638.db2.gz IKWCMOYEKNRSRT-UHFFFAOYSA-N -1 3 387.193 3.528 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000673810020 861798331 /nfs/dbraw/zinc/79/83/31/861798331.db2.gz UKUZMSHBOXYRHK-SJCJKPOMSA-N -1 3 381.350 3.976 20 0 GHADHM Cc1nc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c(C)s1 ZINC000503244880 847512355 /nfs/dbraw/zinc/51/23/55/847512355.db2.gz VUVXICVTRXXQTM-UHFFFAOYSA-N -1 3 395.257 3.726 20 0 GHADHM CC(C)(C)[C@H](CC1CCCCC1)NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503445956 847712091 /nfs/dbraw/zinc/71/20/91/847712091.db2.gz IHGUGAQTVWHTKF-KRWDZBQOSA-N -1 3 381.542 3.568 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000422595726 847727621 /nfs/dbraw/zinc/72/76/21/847727621.db2.gz ZXLHUSATTHCDFG-MRRJBJDNSA-N -1 3 399.318 3.700 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C ZINC000421143867 847781191 /nfs/dbraw/zinc/78/11/91/847781191.db2.gz AVQOOEDFOPOAHR-SFHVURJKSA-N -1 3 386.473 3.649 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2nc3cccnc3s2)nc1C(C)C ZINC000502370366 847838469 /nfs/dbraw/zinc/83/84/69/847838469.db2.gz VSTAAKIVMTXJOS-UHFFFAOYSA-N -1 3 376.463 3.700 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032064844 847854623 /nfs/dbraw/zinc/85/46/23/847854623.db2.gz GXPWRPFPXLAXBD-AWEZNQCLSA-N -1 3 378.469 3.887 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1Br)[N-]c1cnc(C2CC2)nc1 ZINC000728509377 848135648 /nfs/dbraw/zinc/13/56/48/848135648.db2.gz KHMJZGBCIJXWQU-BQYQJAHWSA-N -1 3 380.267 3.529 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000731788569 861871789 /nfs/dbraw/zinc/87/17/89/861871789.db2.gz NWWXYHQHELZYFV-MDZDMXLPSA-N -1 3 389.864 3.789 20 0 GHADHM CN(Cc1ccc(Br)cc1Cl)C(=O)N=c1cc2ccccn2[n-]1 ZINC000548763439 848271825 /nfs/dbraw/zinc/27/18/25/848271825.db2.gz YGFZDYIGMCCPGF-UHFFFAOYSA-N -1 3 393.672 3.836 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2n[n-]c(-c3ccco3)n2)on1 ZINC000892297524 848281306 /nfs/dbraw/zinc/28/13/06/848281306.db2.gz QRWNNSRUKALUKK-UHFFFAOYSA-N -1 3 381.417 3.906 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)cc1)C(C)C ZINC000731781556 861886025 /nfs/dbraw/zinc/88/60/25/861886025.db2.gz OEOYXZPZKFTICY-UHFFFAOYSA-N -1 3 376.522 3.911 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)n1 ZINC000582809154 848435788 /nfs/dbraw/zinc/43/57/88/848435788.db2.gz IKIMDFCNPYZOMB-SWLSCSKDSA-N -1 3 383.370 3.524 20 0 GHADHM O=C(NCC[S@@](=O)Cc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000731859213 861914338 /nfs/dbraw/zinc/91/43/38/861914338.db2.gz ROAORTCTPNBFLT-MUUNZHRXSA-N -1 3 393.508 3.662 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H](c2cccc(Cl)c2)c2ccccn2)c2ccccc21 ZINC000255561402 848865314 /nfs/dbraw/zinc/86/53/14/848865314.db2.gz ADINOOOAJWNATK-MTGKDYNDSA-N -1 3 389.842 3.725 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000731915349 861957017 /nfs/dbraw/zinc/95/70/17/861957017.db2.gz HUGVDVGWLILDEP-FQEVSTJZSA-N -1 3 392.411 3.641 20 0 GHADHM C[C@@H](c1ncc(-c2ccccc2)o1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155257497 849488925 /nfs/dbraw/zinc/48/89/25/849488925.db2.gz OMMWLJSUJKMFQP-JGFSIVIASA-N -1 3 397.378 3.866 20 0 GHADHM Cc1csc(Sc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)n1 ZINC000278185491 849548254 /nfs/dbraw/zinc/54/82/54/849548254.db2.gz PULNCUPXYQCUFN-NSHDSACASA-N -1 3 387.408 3.980 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000583341774 849661090 /nfs/dbraw/zinc/66/10/90/849661090.db2.gz HPSDSYPQEYAHJJ-UHFFFAOYSA-N -1 3 376.463 3.709 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCN1C1CC1)c1c(Cl)cccc1C(F)(F)F ZINC000434777509 849758888 /nfs/dbraw/zinc/75/88/88/849758888.db2.gz UZFWDOINGAPIAB-GFCCVEGCSA-N -1 3 396.862 3.654 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCc3ccccc3C2)c1)c1ccc(F)cc1 ZINC000427627398 849893626 /nfs/dbraw/zinc/89/36/26/849893626.db2.gz AJHINUYMANVUCZ-UHFFFAOYSA-N -1 3 383.448 3.584 20 0 GHADHM CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000504202956 849968830 /nfs/dbraw/zinc/96/88/30/849968830.db2.gz QOVKGWGUTWBQJC-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000486751976 850055186 /nfs/dbraw/zinc/05/51/86/850055186.db2.gz DOVHFCYXNNDEDI-WMLDXEAASA-N -1 3 397.541 3.889 20 0 GHADHM CCCc1nc(C)c(C[N-]C(=O)C(F)(F)c2ncccc2Br)o1 ZINC000908362454 850061380 /nfs/dbraw/zinc/06/13/80/850061380.db2.gz WMOUHMFMLAKZGY-UHFFFAOYSA-N -1 3 388.212 3.501 20 0 GHADHM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(C(F)(F)F)nc1Cl ZINC000908407965 850083120 /nfs/dbraw/zinc/08/31/20/850083120.db2.gz YYCABQSWSOHWIV-ZETCQYMHSA-N -1 3 386.761 3.618 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)cc1F ZINC000486827610 850148634 /nfs/dbraw/zinc/14/86/34/850148634.db2.gz SMZMKVNRDWIOPX-SSDOTTSWSA-N -1 3 386.367 3.788 20 0 GHADHM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c2ccccc21 ZINC000510019034 850168160 /nfs/dbraw/zinc/16/81/60/850168160.db2.gz LQRKVHDUZWNFJP-ZDUSSCGKSA-N -1 3 389.782 3.965 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)s1 ZINC000435213760 850220853 /nfs/dbraw/zinc/22/08/53/850220853.db2.gz BOCQDUHSLOWJNF-VHDGCEQUSA-N -1 3 398.347 3.826 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cccc(OC)c3)[n-]c(=O)c21 ZINC000435228166 850246240 /nfs/dbraw/zinc/24/62/40/850246240.db2.gz XTTYWWPHLSRUFY-LLVKDONJSA-N -1 3 385.445 3.687 20 0 GHADHM CC1CCN([C@H](CNC(=O)N2CCCCC[C@@H]2C(=O)[O-])c2cccs2)CC1 ZINC000908749217 850321142 /nfs/dbraw/zinc/32/11/42/850321142.db2.gz NYOPFVNDPLKCMW-IAGOWNOFSA-N -1 3 393.553 3.560 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(Cl)c1F ZINC000443881842 862120102 /nfs/dbraw/zinc/12/01/02/862120102.db2.gz KJTJRWYGNZJSBZ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(Cl)c1F ZINC000443881842 862120115 /nfs/dbraw/zinc/12/01/15/862120115.db2.gz KJTJRWYGNZJSBZ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000424394964 850434576 /nfs/dbraw/zinc/43/45/76/850434576.db2.gz FFIDNFJUQRXZEK-IBGZPJMESA-N -1 3 389.540 3.574 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1Br)c1ccoc1 ZINC000506690777 850479486 /nfs/dbraw/zinc/47/94/86/850479486.db2.gz URKNYAWCYAIUCJ-UHFFFAOYSA-N -1 3 381.045 3.605 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)s1 ZINC000487139750 850485161 /nfs/dbraw/zinc/48/51/61/850485161.db2.gz WFKFBNDDLKRSGL-WCQYABFASA-N -1 3 396.372 3.549 20 0 GHADHM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000909000108 850525887 /nfs/dbraw/zinc/52/58/87/850525887.db2.gz DYJRUSIQQGRBOD-XMSQKQJNSA-N -1 3 394.515 3.614 20 0 GHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000424650167 850601359 /nfs/dbraw/zinc/60/13/59/850601359.db2.gz NWIOJDBUZMCUFG-JQWIXIFHSA-N -1 3 378.416 3.842 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC000519079463 850603480 /nfs/dbraw/zinc/60/34/80/850603480.db2.gz ZCXZBNDFMJJSDL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC000519079463 850603487 /nfs/dbraw/zinc/60/34/87/850603487.db2.gz ZCXZBNDFMJJSDL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cn1nccc1C1=CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000519125804 850632975 /nfs/dbraw/zinc/63/29/75/850632975.db2.gz BSJKXOLNCPWEOG-UHFFFAOYSA-N -1 3 387.483 3.840 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)cc2)CC1 ZINC000909834669 850815071 /nfs/dbraw/zinc/81/50/71/850815071.db2.gz MXRKXYFXXVKORY-QGZVFWFLSA-N -1 3 395.503 3.657 20 0 GHADHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000519254049 850817620 /nfs/dbraw/zinc/81/76/20/850817620.db2.gz BPCDLENGVDILKF-UHFFFAOYSA-N -1 3 381.375 3.744 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@](C)(O)c3ccc(F)cc3)nc(=O)c2c1C ZINC000909883013 850833592 /nfs/dbraw/zinc/83/35/92/850833592.db2.gz GIFHPTWUEADQPW-GIGQVBGESA-N -1 3 390.436 3.665 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)[C@H](C)C3)c2)cc1 ZINC000435961879 851030246 /nfs/dbraw/zinc/03/02/46/851030246.db2.gz WPZRRQUWUPKKCR-IAGOWNOFSA-N -1 3 386.517 3.832 20 0 GHADHM COc1cc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)cc(Br)c1[O-] ZINC000426631042 851036225 /nfs/dbraw/zinc/03/62/25/851036225.db2.gz MNPIQKZBYYTRFJ-PIGZYNQJSA-N -1 3 386.286 3.534 20 0 GHADHM COc1cc(Cl)c(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1Cl ZINC000426647759 851109029 /nfs/dbraw/zinc/10/90/29/851109029.db2.gz OWWRLQHWUAPJNN-INIZCTEOSA-N -1 3 388.222 3.763 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c1 ZINC000436157406 851269533 /nfs/dbraw/zinc/26/95/33/851269533.db2.gz YVQAUWRVNZVNDI-UHFFFAOYSA-N -1 3 385.869 3.945 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3ccccc3)[C@H](O)C(C)C)nc2)n1 ZINC000664532705 851328839 /nfs/dbraw/zinc/32/88/39/851328839.db2.gz USBCLDOEJIYGMA-LEWJYISDSA-N -1 3 378.476 3.977 20 0 GHADHM O=C([O-])c1nc(NC(=O)c2cccc(CN3CCCCC3)c2)sc1C1CC1 ZINC000910739332 851353779 /nfs/dbraw/zinc/35/37/79/851353779.db2.gz LNXANKMFZROBGD-UHFFFAOYSA-N -1 3 385.489 3.957 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000515707728 851364249 /nfs/dbraw/zinc/36/42/49/851364249.db2.gz KGKLGZRCDHQAQU-UXHICEINSA-N 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ZINC000911218617 851634360 /nfs/dbraw/zinc/63/43/60/851634360.db2.gz GUCRCOPJGRFYSY-UHFFFAOYSA-N -1 3 395.503 3.786 20 0 GHADHM CCCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226944 851651300 /nfs/dbraw/zinc/65/13/00/851651300.db2.gz HCARCKAIGVXJAO-HBMCJLEFSA-N -1 3 386.536 3.781 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(OCc2ccccn2)c1 ZINC000488614663 851663120 /nfs/dbraw/zinc/66/31/20/851663120.db2.gz BVAFZQRRJLSPEA-MRXNPFEDSA-N -1 3 399.450 3.993 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911429281 851727358 /nfs/dbraw/zinc/72/73/58/851727358.db2.gz YZBMRDIDXFBZCP-HNNXBMFYSA-N -1 3 386.879 3.775 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488819841 851798353 /nfs/dbraw/zinc/79/83/53/851798353.db2.gz FSBVHKFIMBHMKE-UHFFFAOYSA-N -1 3 399.312 3.924 20 0 GHADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cc(F)ccc1Cl ZINC000488825139 851802275 /nfs/dbraw/zinc/80/22/75/851802275.db2.gz PNXDXOYLUULPHG-CQSZACIVSA-N -1 3 388.917 3.656 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488854668 851828820 /nfs/dbraw/zinc/82/88/20/851828820.db2.gz OIODIZLQDMUCOT-BXUZGUMPSA-N -1 3 383.407 3.718 20 0 GHADHM O=C([O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCCC1 ZINC000911779764 851890157 /nfs/dbraw/zinc/89/01/57/851890157.db2.gz SYYIFACTIOSFML-AZUAARDMSA-N -1 3 390.499 3.578 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000488947162 851894299 /nfs/dbraw/zinc/89/42/99/851894299.db2.gz SLSDESQZPAKCMJ-OAHLLOKOSA-N -1 3 391.295 3.714 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(SC2CCCC2)cc1 ZINC000436481546 851950182 /nfs/dbraw/zinc/95/01/82/851950182.db2.gz CCIZVJDVHWUVRY-UHFFFAOYSA-N -1 3 399.516 3.978 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000436510753 851997496 /nfs/dbraw/zinc/99/74/96/851997496.db2.gz GVTOOEUAILPILG-QGZVFWFLSA-N -1 3 398.503 3.863 20 0 GHADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000436523307 852013906 /nfs/dbraw/zinc/01/39/06/852013906.db2.gz RZSQVHKJZBIDJJ-RTBURBONSA-N -1 3 391.508 3.999 20 0 GHADHM CC(C)Oc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436529540 852020272 /nfs/dbraw/zinc/02/02/72/852020272.db2.gz ORFFQSQKINJCCR-UHFFFAOYSA-N -1 3 397.475 3.606 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436535177 852028159 /nfs/dbraw/zinc/02/81/59/852028159.db2.gz NBRZTSGKUXOMEB-UHFFFAOYSA-N -1 3 394.515 3.653 20 0 GHADHM COc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)CC(C)C)c([O-])c1 ZINC000436551141 852040221 /nfs/dbraw/zinc/04/02/21/852040221.db2.gz LYUBNBQBXJZUFG-UHFFFAOYSA-N -1 3 387.476 3.759 20 0 GHADHM CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)cc1 ZINC000436557470 852042656 /nfs/dbraw/zinc/04/26/56/852042656.db2.gz WOURVVZSDSXMPJ-UHFFFAOYSA-N -1 3 395.484 3.755 20 0 GHADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000515994490 852048044 /nfs/dbraw/zinc/04/80/44/852048044.db2.gz GIJFJZHCOYSCSB-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCc2ccccc2Cl)cc1OC ZINC000515999216 852055227 /nfs/dbraw/zinc/05/52/27/852055227.db2.gz OELMPIDJHCNRHN-UHFFFAOYSA-N -1 3 396.896 3.682 20 0 GHADHM CC(C)c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)n(-c2ncccn2)n1 ZINC000436545835 852058763 /nfs/dbraw/zinc/05/87/63/852058763.db2.gz SPSZGVGYUHPTPT-UHFFFAOYSA-N -1 3 377.448 3.622 20 0 GHADHM Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436545497 852059251 /nfs/dbraw/zinc/05/92/51/852059251.db2.gz HCCXNLFVZNZGBU-UHFFFAOYSA-N -1 3 397.456 3.647 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436557246 852061444 /nfs/dbraw/zinc/06/14/44/852061444.db2.gz NHOSFZPAVZSSQM-CTNGQTDRSA-N -1 3 380.488 3.758 20 0 GHADHM O[C@@H](COCc1ccco1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000058007419 862317082 /nfs/dbraw/zinc/31/70/82/862317082.db2.gz BVNAUXOJRKVGEJ-NSHDSACASA-N -1 3 381.454 3.684 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c([O-])c1 ZINC000436593645 852080659 /nfs/dbraw/zinc/08/06/59/852080659.db2.gz BXFDABUHSTVYOJ-QGZVFWFLSA-N -1 3 394.450 3.658 20 0 GHADHM C[C@@H](c1ccccc1Br)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436605739 852105275 /nfs/dbraw/zinc/10/52/75/852105275.db2.gz LLCIAFGCYMCNHC-AWEZNQCLSA-N -1 3 389.293 3.674 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000522671561 862329609 /nfs/dbraw/zinc/32/96/09/862329609.db2.gz SQKHTBAPCSKVST-INIZCTEOSA-N -1 3 377.872 3.837 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000112248372 852151244 /nfs/dbraw/zinc/15/12/44/852151244.db2.gz AADSJUKXZJUZCD-UHFFFAOYSA-N -1 3 376.840 3.545 20 0 GHADHM Cc1ccc(SCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436642538 852151927 /nfs/dbraw/zinc/15/19/27/852151927.db2.gz TZIOJTCJQOUDTO-UHFFFAOYSA-N -1 3 398.528 3.604 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](COC(F)F)C1 ZINC000436665593 852162448 /nfs/dbraw/zinc/16/24/48/852162448.db2.gz NLRKFZDAPFJIFF-QGZVFWFLSA-N -1 3 375.415 3.879 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000436666837 852163442 /nfs/dbraw/zinc/16/34/42/852163442.db2.gz RIQDPKJJZMKJIU-OAHLLOKOSA-N -1 3 380.444 3.786 20 0 GHADHM Cc1csc(-c2cccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000436668855 852166298 /nfs/dbraw/zinc/16/62/98/852166298.db2.gz YPBVDXGMCLLMCJ-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473831010 852205255 /nfs/dbraw/zinc/20/52/55/852205255.db2.gz REJYBXQMDZADSS-CYBMUJFWSA-N -1 3 398.265 3.916 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c([O-])c1 ZINC000436715652 852238476 /nfs/dbraw/zinc/23/84/76/852238476.db2.gz LURSKHSTPKTIQT-UHFFFAOYSA-N -1 3 393.386 3.816 20 0 GHADHM CN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3[O-])c2)CC1 ZINC000436721274 852247285 /nfs/dbraw/zinc/24/72/85/852247285.db2.gz IKEYKRRXZZMJHH-UHFFFAOYSA-N -1 3 375.472 3.545 20 0 GHADHM O=C(Nc1ccc(C2CCC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436730600 852271534 /nfs/dbraw/zinc/27/15/34/852271534.db2.gz HGPMAXQLKFBADR-UHFFFAOYSA-N -1 3 379.460 3.650 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ccccc2O)CC1 ZINC000436758865 852278001 /nfs/dbraw/zinc/27/80/01/852278001.db2.gz YMPKDJWLXOXHLS-UHFFFAOYSA-N -1 3 390.439 3.853 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nc(C3CCCCC3)cs2)CC1 ZINC000555976394 862344597 /nfs/dbraw/zinc/34/45/97/862344597.db2.gz SMHBIQYCZTZWOQ-UHFFFAOYSA-N -1 3 385.533 3.854 20 0 GHADHM CC(C)(C)c1nc(CN[C@H](Cc2cccc(Br)c2)C(=O)[O-])cs1 ZINC000426718920 852303793 /nfs/dbraw/zinc/30/37/93/852303793.db2.gz YYBBXRZVNBWQML-CQSZACIVSA-N -1 3 397.338 3.989 20 0 GHADHM COc1ccc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000426729852 852322657 /nfs/dbraw/zinc/32/26/57/852322657.db2.gz HISGIZQKUJNGGI-SFHVURJKSA-N -1 3 379.909 3.867 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436768211 852323491 /nfs/dbraw/zinc/32/34/91/852323491.db2.gz HTDIARNIXZGZMP-HXUWFJFHSA-N -1 3 394.515 3.653 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000426731365 852326457 /nfs/dbraw/zinc/32/64/57/852326457.db2.gz DWTVAUKEVSLGFR-FQEVSTJZSA-N -1 3 383.423 3.716 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000466567749 862351798 /nfs/dbraw/zinc/35/17/98/862351798.db2.gz QKOZRTAGSXAKBW-FUHWJXTLSA-N -1 3 383.897 3.878 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000436784099 852335664 /nfs/dbraw/zinc/33/56/64/852335664.db2.gz ORWDHRVCGHONQK-SNVBAGLBSA-N -1 3 388.374 3.586 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1[O-] ZINC000436794024 852350741 /nfs/dbraw/zinc/35/07/41/852350741.db2.gz UTBLWIJZHUHDGM-OAHLLOKOSA-N -1 3 399.466 3.905 20 0 GHADHM COCCN(Cc1cncs1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436807827 852366963 /nfs/dbraw/zinc/36/69/63/852366963.db2.gz ZLRUFBPJYXZJQW-UHFFFAOYSA-N -1 3 382.485 3.728 20 0 GHADHM CC(C)(C)CC[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000426762405 852371499 /nfs/dbraw/zinc/37/14/99/852371499.db2.gz KANGUYTYUMAGIR-AWEZNQCLSA-N -1 3 385.295 3.943 20 0 GHADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436832226 852381087 /nfs/dbraw/zinc/38/10/87/852381087.db2.gz HEFNTKZLBIRYMQ-OAHLLOKOSA-N -1 3 379.840 3.523 20 0 GHADHM CCc1ccc(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436833443 852383700 /nfs/dbraw/zinc/38/37/00/852383700.db2.gz LQKYHECZMXJSGG-UHFFFAOYSA-N -1 3 378.837 3.632 20 0 GHADHM COc1cc(C)c(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426798188 852407793 /nfs/dbraw/zinc/40/77/93/852407793.db2.gz IMSUWBJDVHJXLA-QGZVFWFLSA-N -1 3 394.265 3.690 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Oc3ccncc3)c2)c([O-])c1 ZINC000436906436 852473363 /nfs/dbraw/zinc/47/33/63/852473363.db2.gz QHSDIAHHNGDIOY-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM COc1cccc(-c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)c1[O-] ZINC000436919241 852498797 /nfs/dbraw/zinc/49/87/97/852498797.db2.gz MYSHXZVLFHPILC-UHFFFAOYSA-N -1 3 378.331 3.652 20 0 GHADHM CCCOc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436921611 852503773 /nfs/dbraw/zinc/50/37/73/852503773.db2.gz WLLUIVDXRWHEKK-UHFFFAOYSA-N -1 3 397.475 3.607 20 0 GHADHM CC(=O)N[C@@H](C)C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436923302 852504384 /nfs/dbraw/zinc/50/43/84/852504384.db2.gz BLQYCMBFQQXLGC-KRWDZBQOSA-N -1 3 394.515 3.554 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nnc2n1CCCCC2 ZINC000436925282 852506346 /nfs/dbraw/zinc/50/63/46/852506346.db2.gz IIBPAXQUSLGHLQ-HNNXBMFYSA-N -1 3 392.459 3.993 20 0 GHADHM CC1(C)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436933358 852514717 /nfs/dbraw/zinc/51/47/17/852514717.db2.gz PZHFYLDPERKXFF-FQEVSTJZSA-N -1 3 380.488 3.902 20 0 GHADHM O=C(c1ccccc1[O-])N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000436933996 852516767 /nfs/dbraw/zinc/51/67/67/852516767.db2.gz RHDILKKOLVGAJS-MRXNPFEDSA-N -1 3 387.785 3.654 20 0 GHADHM Cc1cccc2cc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)sc21 ZINC000436938624 852521656 /nfs/dbraw/zinc/52/16/56/852521656.db2.gz KIJXHGRLPIZQAI-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000436943947 852526543 /nfs/dbraw/zinc/52/65/43/852526543.db2.gz HYYRMFBZUMKLNC-UHFFFAOYSA-N -1 3 397.862 3.562 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])o1 ZINC000436960599 852532517 /nfs/dbraw/zinc/53/25/17/852532517.db2.gz KNLAZQQIWGPLEQ-GFCCVEGCSA-N -1 3 397.431 3.593 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1 ZINC000436962236 852532715 /nfs/dbraw/zinc/53/27/15/852532715.db2.gz NJQUSQQDPYDTJS-MAUKXSAKSA-N -1 3 385.464 3.886 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC000489692111 852549162 /nfs/dbraw/zinc/54/91/62/852549162.db2.gz QITPHHCJAXXZBP-UHFFFAOYSA-N -1 3 399.406 3.600 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000436959889 852549888 /nfs/dbraw/zinc/54/98/88/852549888.db2.gz FJEKFOVUNUHMTG-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436959897 852549964 /nfs/dbraw/zinc/54/99/64/852549964.db2.gz FNCBIHCNKMFXNF-UTKZUKDTSA-N -1 3 394.515 3.868 20 0 GHADHM CON(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000912725005 852557878 /nfs/dbraw/zinc/55/78/78/852557878.db2.gz YTXWOVGKDNSYHW-JTQLQIEISA-N -1 3 381.354 3.843 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c([O-])c1 ZINC000436976829 852563209 /nfs/dbraw/zinc/56/32/09/852563209.db2.gz AUKKYOSJHBBOQL-UHFFFAOYSA-N -1 3 389.883 3.582 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(CCC(F)(F)F)c2)c([O-])c1 ZINC000436979629 852567839 /nfs/dbraw/zinc/56/78/39/852567839.db2.gz ZPWMOMJZZOXHCM-UHFFFAOYSA-N -1 3 394.393 3.954 20 0 GHADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000288216222 852568073 /nfs/dbraw/zinc/56/80/73/852568073.db2.gz PAPFSIYHWKPSAV-UHFFFAOYSA-N -1 3 385.895 3.914 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000426964364 852577505 /nfs/dbraw/zinc/57/75/05/852577505.db2.gz PMSVKVFBVYTBQF-PTSWNOGYSA-N -1 3 392.503 3.777 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H](C)[C@@H]3C)cs2)c1 ZINC000436989763 852579306 /nfs/dbraw/zinc/57/93/06/852579306.db2.gz PEVAOVRLDFGMAF-KBPBESRZSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1cc(NC(=O)c2c([O-])cccc2F)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436994526 852586636 /nfs/dbraw/zinc/58/66/36/852586636.db2.gz DJXFMBPPZGDTRZ-QGZVFWFLSA-N -1 3 394.450 3.736 20 0 GHADHM CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000436985837 852596288 /nfs/dbraw/zinc/59/62/88/852596288.db2.gz DJYJJHQCWCIXIT-INIZCTEOSA-N -1 3 376.859 3.921 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(CO)(c3ccccc3)CC2)c([O-])c1 ZINC000437002847 852598200 /nfs/dbraw/zinc/59/82/00/852598200.db2.gz IEZYQOQUFJQTSW-UHFFFAOYSA-N -1 3 383.488 3.737 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1 ZINC000481848827 862376106 /nfs/dbraw/zinc/37/61/06/862376106.db2.gz UGVXTZNYIZFIJY-OAHLLOKOSA-N -1 3 393.509 3.674 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1OCC ZINC000427068287 852686589 /nfs/dbraw/zinc/68/65/89/852686589.db2.gz YHRRFGYHOLGUTD-UHFFFAOYSA-N -1 3 395.463 3.620 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1OCC ZINC000427068287 852686596 /nfs/dbraw/zinc/68/65/96/852686596.db2.gz YHRRFGYHOLGUTD-UHFFFAOYSA-N -1 3 395.463 3.620 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCO[C@@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000516542087 852717940 /nfs/dbraw/zinc/71/79/40/852717940.db2.gz HBNBUYYVPJHUHF-HNAYVOBHSA-N -1 3 384.480 3.730 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2C(C)C)cc1 ZINC000473855941 852785032 /nfs/dbraw/zinc/78/50/32/852785032.db2.gz NYMXGMZZOUHTJU-SFHVURJKSA-N -1 3 379.464 3.553 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)sc1Cl ZINC000473855378 852846579 /nfs/dbraw/zinc/84/65/79/852846579.db2.gz ACYVFGNXMVQOKF-UHFFFAOYSA-N -1 3 378.972 3.985 20 0 GHADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000507473831 852945915 /nfs/dbraw/zinc/94/59/15/852945915.db2.gz BUSRPWDSMIDMLA-MWLCHTKSSA-N -1 3 387.324 3.507 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCC(F)(F)CC1 ZINC000289303184 852967252 /nfs/dbraw/zinc/96/72/52/852967252.db2.gz VVUFEATUASEZIS-UHFFFAOYSA-N -1 3 377.229 3.874 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000437294851 852989194 /nfs/dbraw/zinc/98/91/94/852989194.db2.gz NNLJEVPOYDPYQT-RKDXNWHRSA-N -1 3 375.334 3.751 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000437393369 853085535 /nfs/dbraw/zinc/08/55/35/853085535.db2.gz YBZQFDNUDVRJKU-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ccc(Cl)c(Cl)c1 ZINC000913299832 853211041 /nfs/dbraw/zinc/21/10/41/853211041.db2.gz RAJWCWAENOFNRY-UHFFFAOYSA-N -1 3 380.187 3.772 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000913299832 853211046 /nfs/dbraw/zinc/21/10/46/853211046.db2.gz RAJWCWAENOFNRY-UHFFFAOYSA-N -1 3 380.187 3.772 20 0 GHADHM O=C([O-])c1cnn(C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000516976206 853217137 /nfs/dbraw/zinc/21/71/37/853217137.db2.gz ZZKOODUOGZIFIY-UHFFFAOYSA-N -1 3 391.471 3.997 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302195 853224944 /nfs/dbraw/zinc/22/49/44/853224944.db2.gz QOGZUZBGJOYODD-ZDUSSCGKSA-N -1 3 381.432 3.979 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302195 853224950 /nfs/dbraw/zinc/22/49/50/853224950.db2.gz QOGZUZBGJOYODD-ZDUSSCGKSA-N -1 3 381.432 3.979 20 0 GHADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000556028819 862448143 /nfs/dbraw/zinc/44/81/43/862448143.db2.gz QFGUVAHGVSIXKW-INIZCTEOSA-N -1 3 379.243 3.577 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)[nH][n-]1 ZINC000439159858 853350053 /nfs/dbraw/zinc/35/00/53/853350053.db2.gz JUDWIAJTIWZKFH-LJQANCHMSA-N -1 3 397.862 3.720 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1)c1nc(C2CCCCC2)no1 ZINC000329957886 862456039 /nfs/dbraw/zinc/45/60/39/862456039.db2.gz MFBMLUOWKURGTK-ZDUSSCGKSA-N -1 3 386.477 3.705 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCCS1 ZINC000439171680 853367979 /nfs/dbraw/zinc/36/79/79/853367979.db2.gz QIEJMSURVMEMOC-LBPRGKRZSA-N -1 3 386.702 3.749 20 0 GHADHM Cc1ccc(/C=C\CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000440549634 853370974 /nfs/dbraw/zinc/37/09/74/853370974.db2.gz XAUHYGVPNPUMDJ-PLNGDYQASA-N -1 3 378.472 3.525 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)sc1Br ZINC000439193177 853396363 /nfs/dbraw/zinc/39/63/63/853396363.db2.gz ZTGXEXYMNCSQQO-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1ccc(Br)s1 ZINC000604770348 862463434 /nfs/dbraw/zinc/46/34/34/862463434.db2.gz VKKDNSQWOIHGJN-UHFFFAOYSA-N -1 3 393.353 3.715 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCOCC1 ZINC000785397767 853482358 /nfs/dbraw/zinc/48/23/58/853482358.db2.gz JOTPKBJLEYNOPJ-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000570901909 853500409 /nfs/dbraw/zinc/50/04/09/853500409.db2.gz UJIXVDRTJYNYEN-OPVJXMOQSA-N -1 3 384.501 3.633 20 0 GHADHM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000586751307 853520395 /nfs/dbraw/zinc/52/03/95/853520395.db2.gz DTCOJALQADMCHN-UHFFFAOYSA-N -1 3 394.515 3.846 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2cc(C)cc(C)c2)[nH][n-]1 ZINC000586760513 853528354 /nfs/dbraw/zinc/52/83/54/853528354.db2.gz ZHDIUIHMJKOVJS-UHFFFAOYSA-N -1 3 385.851 3.795 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC4(CCC4)CC3)nc(=O)c2c1C ZINC000586783239 853544506 /nfs/dbraw/zinc/54/45/06/853544506.db2.gz MAUWTNPTALQRBX-ZDUSSCGKSA-N -1 3 389.521 3.797 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000518625275 853578038 /nfs/dbraw/zinc/57/80/38/853578038.db2.gz HEHKZCGZTYOEPT-UHFFFAOYSA-N -1 3 383.835 3.734 20 0 GHADHM Cc1ccc(I)cc1-c1noc(-c2ccc(F)c(=O)[n-]2)n1 ZINC001214085602 853634584 /nfs/dbraw/zinc/63/45/84/853634584.db2.gz RPKFEQAMJUORRZ-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000604788052 862485530 /nfs/dbraw/zinc/48/55/30/862485530.db2.gz DLWBAPKGDWOHDO-OAHLLOKOSA-N -1 3 384.480 3.550 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)CCC(=O)N4)cc2)cc(=O)[n-]1 ZINC000519946680 853638030 /nfs/dbraw/zinc/63/80/30/853638030.db2.gz LHQFTBJITPMHMP-UHFFFAOYSA-N -1 3 389.415 3.686 20 0 GHADHM O=C(NCc1ccccc1)NC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCC1 ZINC000440942459 853775307 /nfs/dbraw/zinc/77/53/07/853775307.db2.gz UUMWODXODRLHTG-UHFFFAOYSA-N -1 3 387.867 3.796 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3cccc4cccnc43)nc(=O)c2c1C ZINC000055398758 853904484 /nfs/dbraw/zinc/90/44/84/853904484.db2.gz KRIQIYYWKKAZNB-GFCCVEGCSA-N -1 3 393.468 3.997 20 0 GHADHM CCN(Cc1nc2ccc(Br)cc2n1C)C1CCC(C(=O)[O-])CC1 ZINC000571537615 853941281 /nfs/dbraw/zinc/94/12/81/853941281.db2.gz KEWOPSNCMORPFA-UHFFFAOYSA-N -1 3 394.313 3.801 20 0 GHADHM CCCn1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C1CC1 ZINC000571637095 853971417 /nfs/dbraw/zinc/97/14/17/853971417.db2.gz FYXQIIPSNXYAKW-UHFFFAOYSA-N -1 3 393.285 3.960 20 0 GHADHM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc([O-])c2ccccc2c1 ZINC000571727807 854028388 /nfs/dbraw/zinc/02/83/88/854028388.db2.gz DCXVCWQXQOUONG-UHFFFAOYSA-N -1 3 379.391 3.857 20 0 GHADHM Cc1cccc2nc(C3CCN(C(=O)c4cc(=O)[n-]c(C5CC5)n4)CC3)oc21 ZINC000571896363 854178917 /nfs/dbraw/zinc/17/89/17/854178917.db2.gz YKJAYKGQEBYKCA-UHFFFAOYSA-N -1 3 378.432 3.529 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3=O)c2)sc1Cl ZINC000473918629 854273407 /nfs/dbraw/zinc/27/34/07/854273407.db2.gz MALCHVMSQBHNOJ-GFCCVEGCSA-N -1 3 398.937 3.876 20 0 GHADHM C[C@@H](CC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000112689945 854292048 /nfs/dbraw/zinc/29/20/48/854292048.db2.gz FNOUJKHHYVMUHX-ZDUSSCGKSA-N -1 3 376.453 3.545 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1Cl ZINC000481960844 862553477 /nfs/dbraw/zinc/55/34/77/862553477.db2.gz UNCKPRZFPCULPO-UHFFFAOYSA-N -1 3 382.869 3.886 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)c2ccc(F)cc2)sc1Cl ZINC000473941493 854381620 /nfs/dbraw/zinc/38/16/20/854381620.db2.gz RLDJDQDZJZSZKD-OAHLLOKOSA-N -1 3 399.900 3.650 20 0 GHADHM CC(C)CCn1nc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc21 ZINC000572114661 854397479 /nfs/dbraw/zinc/39/74/79/854397479.db2.gz WQFYEORJVZTJNS-UHFFFAOYSA-N -1 3 388.471 3.854 20 0 GHADHM CC(C)c1nnc(CN[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]1 ZINC000623992572 862569976 /nfs/dbraw/zinc/56/99/76/862569976.db2.gz SGDXIGBWNQGEKO-OAHLLOKOSA-N -1 3 399.520 3.580 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC12CCOCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000328687142 854509424 /nfs/dbraw/zinc/50/94/24/854509424.db2.gz YURFXDSJNCADSL-CQSZACIVSA-N -1 3 397.846 3.986 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(OC)c2[O-])c(C)cc1Br ZINC000588862666 854556207 /nfs/dbraw/zinc/55/62/07/854556207.db2.gz ACDFMQZVQOWYMG-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM O=S(=O)([N-]CCCc1nc2c(s1)CCCC2)c1ccc(Cl)s1 ZINC000589172176 854713714 /nfs/dbraw/zinc/71/37/14/854713714.db2.gz PPQUJSWLJFMOCC-UHFFFAOYSA-N -1 3 376.956 3.648 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc2cccnc21)c1ccc(Cl)cc1F ZINC000111049303 854743642 /nfs/dbraw/zinc/74/36/42/854743642.db2.gz AWPAJOWGXZDRQG-UHFFFAOYSA-N -1 3 394.855 3.775 20 0 GHADHM COCCCn1c(=O)[n-]nc1SCc1ccc(OCc2ccccc2)cc1 ZINC000589273126 854779949 /nfs/dbraw/zinc/77/99/49/854779949.db2.gz BRXXWLTTZKEOEZ-UHFFFAOYSA-N -1 3 385.489 3.892 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)Cc3ccoc3)nc(=O)c2c1C ZINC000153536065 855062540 /nfs/dbraw/zinc/06/25/40/855062540.db2.gz MNMFBGNFZQBYNL-GFCCVEGCSA-N -1 3 389.477 3.646 20 0 GHADHM CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000616203323 855119767 /nfs/dbraw/zinc/11/97/67/855119767.db2.gz TZUVWKOYUNOIIP-MRXNPFEDSA-N -1 3 394.393 3.711 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000190074395 855266159 /nfs/dbraw/zinc/26/61/59/855266159.db2.gz XQUJAOVPKQSKJR-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1cccc(C)c1OCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000733008671 862660291 /nfs/dbraw/zinc/66/02/91/862660291.db2.gz WFSLDROTCWCJER-IBGZPJMESA-N -1 3 397.471 3.626 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1c(F)cccc1F ZINC000590103748 855278864 /nfs/dbraw/zinc/27/88/64/855278864.db2.gz PXXXKYFUQKXIEV-UHFFFAOYSA-N -1 3 379.164 3.765 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@H]1C ZINC000542678688 855406654 /nfs/dbraw/zinc/40/66/54/855406654.db2.gz CAIQFYFTTBCSFD-MCIONIFRSA-N -1 3 393.484 3.509 20 0 GHADHM C[C@@H](CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)Cc1cccs1 ZINC000482083784 862681318 /nfs/dbraw/zinc/68/13/18/862681318.db2.gz NHPBIHHJYIBOFU-LLVKDONJSA-N -1 3 393.310 3.581 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc(-c2cccnc2)s1 ZINC000536434562 855522629 /nfs/dbraw/zinc/52/26/29/855522629.db2.gz ROVVYINNJXAHNS-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(COc2cccc(Br)c2)o1 ZINC000107918445 855618198 /nfs/dbraw/zinc/61/81/98/855618198.db2.gz QJVCYFPIIVMLKV-UHFFFAOYSA-N -1 3 389.205 3.974 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000520567026 855668704 /nfs/dbraw/zinc/66/87/04/855668704.db2.gz GXKRBNPGPKKCEE-UHFFFAOYSA-N -1 3 390.826 3.821 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(c3cccc(F)c3)CC2)[nH][n-]1 ZINC000605022223 862714084 /nfs/dbraw/zinc/71/40/84/862714084.db2.gz XLXCZRFSNCIMFO-UHFFFAOYSA-N -1 3 385.826 3.970 20 0 GHADHM COc1c(Br)cccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417623090 855753504 /nfs/dbraw/zinc/75/35/04/855753504.db2.gz JDYYQMDHPUQZRA-ZBFHGGJFSA-N -1 3 376.250 3.861 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC000417631777 855760131 /nfs/dbraw/zinc/76/01/31/855760131.db2.gz XYEDAWBQEJJKGC-OAHLLOKOSA-N -1 3 395.402 3.890 20 0 GHADHM COc1cc(C(=O)/C=C/c2ccccc2I)ccc1[O-] ZINC000057903969 855794393 /nfs/dbraw/zinc/79/43/93/855794393.db2.gz UKXLMPJIRZUEAA-SOFGYWHQSA-N -1 3 380.181 3.902 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)nc1C ZINC000765860840 855819886 /nfs/dbraw/zinc/81/98/86/855819886.db2.gz QMFKESCPUPFBJM-SNVBAGLBSA-N -1 3 386.395 3.737 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000614628525 855841884 /nfs/dbraw/zinc/84/18/84/855841884.db2.gz FLZVEGVUNNUTDI-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM Cc1noc(C)c1COc1ccccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000520632014 855871194 /nfs/dbraw/zinc/87/11/94/855871194.db2.gz LBNCVKMZMANZST-UHFFFAOYSA-N -1 3 388.427 3.935 20 0 GHADHM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591445364 855991700 /nfs/dbraw/zinc/99/17/00/855991700.db2.gz UWRBEFMZIDWJGS-KRWDZBQOSA-N -1 3 396.855 3.805 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cn2)cc1C ZINC000591451598 855995639 /nfs/dbraw/zinc/99/56/39/855995639.db2.gz VYTJQDDLLFWXFU-UHFFFAOYSA-N -1 3 387.395 3.627 20 0 GHADHM CN(Cc1nc2ccccc2s1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000028723195 856004490 /nfs/dbraw/zinc/00/44/90/856004490.db2.gz HUMBSYHYNXFCGB-UHFFFAOYSA-N -1 3 376.441 3.911 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@@H](F)C1 ZINC000573326239 856080962 /nfs/dbraw/zinc/08/09/62/856080962.db2.gz BCUJFFNATNIFKW-GGPKGHCWSA-N -1 3 384.451 3.650 20 0 GHADHM CCCCN(C)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000030034660 856088377 /nfs/dbraw/zinc/08/83/77/856088377.db2.gz QVJRMVQPPOIRHA-UHFFFAOYSA-N -1 3 386.448 3.534 20 0 GHADHM CC(C)C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)N1CCCCC1=O ZINC000485103991 856095836 /nfs/dbraw/zinc/09/58/36/856095836.db2.gz JLASGBZCMPEXOQ-HNNXBMFYSA-N -1 3 395.463 3.584 20 0 GHADHM CC(C)(C)OC(=O)NC1(c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)CC1 ZINC000904987572 856118910 /nfs/dbraw/zinc/11/89/10/856118910.db2.gz DZZONEMRACIHIR-UHFFFAOYSA-N -1 3 396.806 3.628 20 0 GHADHM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485129893 856129528 /nfs/dbraw/zinc/12/95/28/856129528.db2.gz RLQJELBUNPHZIR-UHFFFAOYSA-N -1 3 386.362 3.608 20 0 GHADHM Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000031058009 856139786 /nfs/dbraw/zinc/13/97/86/856139786.db2.gz IDQALKYZTRURCE-UHFFFAOYSA-N -1 3 398.459 3.865 20 0 GHADHM Cc1ccccc1-n1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cn1 ZINC000485141621 856154257 /nfs/dbraw/zinc/15/42/57/856154257.db2.gz LHUWUUJWGCGNCW-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cc1ccccc1-n1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cn1 ZINC000485141621 856154267 /nfs/dbraw/zinc/15/42/67/856154267.db2.gz LHUWUUJWGCGNCW-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM O=c1[n-]nc(SCc2cc(-c3ccc(F)cc3)no2)n1CCc1ccccc1 ZINC000032327178 856218165 /nfs/dbraw/zinc/21/81/65/856218165.db2.gz IEVDXAUPNRXYFW-UHFFFAOYSA-N -1 3 396.447 3.901 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1cc(F)ccc1Cl ZINC000520740611 856297276 /nfs/dbraw/zinc/29/72/76/856297276.db2.gz WTFQWMKXMCTZEC-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)ccc21 ZINC000485393139 856454428 /nfs/dbraw/zinc/45/44/28/856454428.db2.gz YVEPOQXHZUYLAV-UHFFFAOYSA-N -1 3 376.453 3.542 20 0 GHADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485395657 856456561 /nfs/dbraw/zinc/45/65/61/856456561.db2.gz GMRNZWBOQRFCLZ-UHFFFAOYSA-N -1 3 378.469 3.725 20 0 GHADHM CCOc1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1OCC ZINC000905748387 856501481 /nfs/dbraw/zinc/50/14/81/856501481.db2.gz GXSXQEQXYITBIP-CQSZACIVSA-N -1 3 376.478 3.628 20 0 GHADHM Cc1cccc(Oc2ccccc2NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000172656923 856522972 /nfs/dbraw/zinc/52/29/72/856522972.db2.gz MPXIXXUGXXJFQJ-UHFFFAOYSA-N -1 3 394.402 3.887 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]4C[C@@H]43)c2)cc1 ZINC000672134553 856556414 /nfs/dbraw/zinc/55/64/14/856556414.db2.gz HETRNFBMAALULL-UZLBHIALSA-N -1 3 384.501 3.729 20 0 GHADHM COC(=O)Nc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000765936854 856566647 /nfs/dbraw/zinc/56/66/47/856566647.db2.gz LXJXAYNTEXNDLR-UHFFFAOYSA-N -1 3 394.225 3.655 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)Nc2nc[n-]c2C(=O)OC)cc1OCC ZINC000573859848 856577913 /nfs/dbraw/zinc/57/79/13/856577913.db2.gz GALYPNQUUGNKOF-UHFFFAOYSA-N -1 3 395.843 3.680 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)Nc2[n-]cnc2C(=O)OC)cc1OCC ZINC000573859848 856577932 /nfs/dbraw/zinc/57/79/32/856577932.db2.gz GALYPNQUUGNKOF-UHFFFAOYSA-N -1 3 395.843 3.680 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110787757 856664768 /nfs/dbraw/zinc/66/47/68/856664768.db2.gz OYSQYCQXVDPZKN-UHFFFAOYSA-N -1 3 399.454 3.619 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110787757 856664775 /nfs/dbraw/zinc/66/47/75/856664775.db2.gz OYSQYCQXVDPZKN-UHFFFAOYSA-N -1 3 399.454 3.619 20 0 GHADHM Cc1cc(C)n(Cc2cccc(-c3noc(-c4cc5c(cc4[O-])OCO5)n3)c2)n1 ZINC000436894436 856674516 /nfs/dbraw/zinc/67/45/16/856674516.db2.gz SVBOHBQLENFQHM-UHFFFAOYSA-N -1 3 390.399 3.700 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccccc3Br)no1)OCO2 ZINC000436893989 856674613 /nfs/dbraw/zinc/67/46/13/856674613.db2.gz RBNXANCUFRNBDI-UHFFFAOYSA-N -1 3 375.178 3.524 20 0 GHADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)[N-]c2ccnc(Cl)c2F)s1 ZINC000905933080 856696618 /nfs/dbraw/zinc/69/66/18/856696618.db2.gz ISSPVEKGDRUKIU-UHFFFAOYSA-N -1 3 386.836 3.608 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000507967180 856745739 /nfs/dbraw/zinc/74/57/39/856745739.db2.gz PLJWZFADBGAFPF-UHFFFAOYSA-N -1 3 377.796 3.574 20 0 GHADHM CC(C)Cc1ccccc1CS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000906027083 856752544 /nfs/dbraw/zinc/75/25/44/856752544.db2.gz XJJQNZOAIYRNSP-UHFFFAOYSA-N -1 3 388.411 3.515 20 0 GHADHM O=S(=O)([N-]CCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1Cl ZINC000507990633 856778805 /nfs/dbraw/zinc/77/88/05/856778805.db2.gz HFJRUHVULCJHRH-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482236121 862841148 /nfs/dbraw/zinc/84/11/48/862841148.db2.gz SKBQGQNXRQZCPB-UHFFFAOYSA-N -1 3 399.225 3.680 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001128846613 856851235 /nfs/dbraw/zinc/85/12/35/856851235.db2.gz AOPDAWJHKGUSGR-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001128846613 856851237 /nfs/dbraw/zinc/85/12/37/856851237.db2.gz AOPDAWJHKGUSGR-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM O=c1cc(-c2nc(COc3cccc(C(F)(F)F)c3)no2)nc(C2CC2)[n-]1 ZINC000906143038 856867288 /nfs/dbraw/zinc/86/72/88/856867288.db2.gz VCODPRNPNUCNKZ-UHFFFAOYSA-N -1 3 378.310 3.707 20 0 GHADHM O=C([N-]c1nc(-c2ccc(Br)cn2)cs1)c1c(F)ccnc1F ZINC001128882044 856910080 /nfs/dbraw/zinc/91/00/80/856910080.db2.gz RTKWMRJUVHCZDD-UHFFFAOYSA-N -1 3 397.204 3.893 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(NC(=O)CC)c2)c(C(=O)OCC)[n-]1 ZINC000485673914 856912552 /nfs/dbraw/zinc/91/25/52/856912552.db2.gz QLCJWXHZBNMOPR-UHFFFAOYSA-N -1 3 386.452 3.530 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C2CC2)n1 ZINC000173461611 856943708 /nfs/dbraw/zinc/94/37/08/856943708.db2.gz SFENAAZVSMVSIZ-NSHDSACASA-N -1 3 393.353 3.705 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Cl)c1 ZINC000508146953 856993038 /nfs/dbraw/zinc/99/30/38/856993038.db2.gz WSYLTIGFTYXOLJ-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOc3ccccc3C2)s1 ZINC000906351918 856998985 /nfs/dbraw/zinc/99/89/85/856998985.db2.gz XJOYBHOQJMXQRN-UHFFFAOYSA-N -1 3 375.450 3.525 20 0 GHADHM CN(CCc1ccc(F)cc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906390843 857051348 /nfs/dbraw/zinc/05/13/48/857051348.db2.gz ZFIRDLZTSTWVQV-UHFFFAOYSA-N -1 3 379.457 3.944 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482271969 862871103 /nfs/dbraw/zinc/87/11/03/862871103.db2.gz GXXJLXCBWOLUHB-INIZCTEOSA-N -1 3 375.266 3.950 20 0 GHADHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000064342116 857133487 /nfs/dbraw/zinc/13/34/87/857133487.db2.gz OHKYLHBLPSPJKQ-UHFFFAOYSA-N -1 3 377.444 3.770 20 0 GHADHM CC(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)(c1ccccc1)c1ccccc1 ZINC000508271656 857146090 /nfs/dbraw/zinc/14/60/90/857146090.db2.gz MZMHMAYNOGISCK-UHFFFAOYSA-N -1 3 385.423 3.655 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(OCc4cccnc4)c3)n[n-]2)o1 ZINC000181431648 862876783 /nfs/dbraw/zinc/87/67/83/862876783.db2.gz HYFAAXQXOFMPKB-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[C@](C)(O)c1ccccc1 ZINC001212367555 857213592 /nfs/dbraw/zinc/21/35/92/857213592.db2.gz NJJISJDITCHJPU-GTNSWQLSSA-N -1 3 396.921 3.524 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)[n-]1 ZINC000508354684 857216822 /nfs/dbraw/zinc/21/68/22/857216822.db2.gz LOUBBQGVDPZTFX-UHFFFAOYSA-N -1 3 391.399 3.688 20 0 GHADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)C[C@@H](C)C1 ZINC001212450374 857240946 /nfs/dbraw/zinc/24/09/46/857240946.db2.gz PORJUYZUVOQVPY-GDNZZTSVSA-N -1 3 378.307 3.939 20 0 GHADHM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000058335855 857286228 /nfs/dbraw/zinc/28/62/28/857286228.db2.gz JRUAJWNHCSDMFO-UHFFFAOYSA-N -1 3 396.393 3.541 20 0 GHADHM CCOc1cc(Br)c(-c2noc(-c3ccc([O-])cn3)n2)cc1OC ZINC001212557861 857371340 /nfs/dbraw/zinc/37/13/40/857371340.db2.gz DUKMVSOPHJHVRZ-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000675444569 857373702 /nfs/dbraw/zinc/37/37/02/857373702.db2.gz IZZJESXEWKTHOZ-UHFFFAOYSA-N -1 3 377.164 3.547 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000675444569 857373711 /nfs/dbraw/zinc/37/37/11/857373711.db2.gz IZZJESXEWKTHOZ-UHFFFAOYSA-N -1 3 377.164 3.547 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)ccc1O ZINC000520918237 857403782 /nfs/dbraw/zinc/40/37/82/857403782.db2.gz JTWABLOSJLCFGM-UHFFFAOYSA-N -1 3 377.462 3.568 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1)C1CCCC1 ZINC000656619349 857413075 /nfs/dbraw/zinc/41/30/75/857413075.db2.gz REOGUAFRDZZJCH-OAHLLOKOSA-N -1 3 381.416 3.575 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000486098034 857425269 /nfs/dbraw/zinc/42/52/69/857425269.db2.gz GQVASMYTALMMKA-CYBMUJFWSA-N -1 3 393.814 3.973 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC(c3ccccn3)CC2)s1 ZINC000907127696 857486408 /nfs/dbraw/zinc/48/64/08/857486408.db2.gz MZSJMCDHAVAXMA-UHFFFAOYSA-N -1 3 388.493 3.905 20 0 GHADHM Cc1ccc(C(C)(C)[N-]C(=O)C(F)(F)c2ncccc2Br)cn1 ZINC000907371944 857608518 /nfs/dbraw/zinc/60/85/18/857608518.db2.gz CJFPQFLWHZAUCD-UHFFFAOYSA-N -1 3 384.224 3.691 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442217347 857631929 /nfs/dbraw/zinc/63/19/29/857631929.db2.gz UGWAAWSNBBUUIH-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000181593615 862933521 /nfs/dbraw/zinc/93/35/21/862933521.db2.gz VAOSDHGNJBESAU-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000181593615 862933525 /nfs/dbraw/zinc/93/35/25/862933525.db2.gz VAOSDHGNJBESAU-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cnc(C2CC2)[n-]c1=O ZINC000907720772 857752540 /nfs/dbraw/zinc/75/25/40/857752540.db2.gz HJSWVDXEOJBHAD-LBPRGKRZSA-N -1 3 380.231 3.620 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C(C)=O)c(C)nc2C)[nH][n-]1 ZINC000486489478 857773248 /nfs/dbraw/zinc/77/32/48/857773248.db2.gz UFZGIAZAKBIEJI-UHFFFAOYSA-N -1 3 398.850 3.627 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)n[n-]2)o1 ZINC000733451065 862952369 /nfs/dbraw/zinc/95/23/69/862952369.db2.gz JUZNRMNWRHFOJW-ZDUSSCGKSA-N -1 3 375.425 3.534 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)[n-]n2)o1 ZINC000733451065 862952378 /nfs/dbraw/zinc/95/23/78/862952378.db2.gz JUZNRMNWRHFOJW-ZDUSSCGKSA-N -1 3 375.425 3.534 20 0 GHADHM O=C(NCC1(c2cccc(F)c2)CCCCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065827922 857858946 /nfs/dbraw/zinc/85/89/46/857858946.db2.gz ORPABFVLBVSBSD-UHFFFAOYSA-N -1 3 395.434 3.733 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3ccccn3)no2)c1 ZINC000109501557 857878696 /nfs/dbraw/zinc/87/86/96/857878696.db2.gz XAKVFTOULCYCGW-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2sc(Br)cc2C1 ZINC000676467892 857903322 /nfs/dbraw/zinc/90/33/22/857903322.db2.gz KVVKMEKDGWIPFI-UHFFFAOYSA-N -1 3 385.258 3.623 20 0 GHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000486636791 857927846 /nfs/dbraw/zinc/92/78/46/857927846.db2.gz GQALJYGPZJUQOS-RKDXNWHRSA-N -1 3 377.297 3.665 20 0 GHADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000486647301 857942731 /nfs/dbraw/zinc/94/27/31/857942731.db2.gz VJCQHRQSEVBVLR-IUCAKERBSA-N -1 3 377.297 3.665 20 0 GHADHM COC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000605309829 862974947 /nfs/dbraw/zinc/97/49/47/862974947.db2.gz XDAACXBWXHFLLA-QGZVFWFLSA-N -1 3 390.361 3.664 20 0 GHADHM CN1CC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000281339285 862979840 /nfs/dbraw/zinc/97/98/40/862979840.db2.gz UPOBLOXBOLPFBV-ZMZPIMSZSA-N -1 3 398.812 3.886 20 0 GHADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)on1 ZINC000114499127 858063679 /nfs/dbraw/zinc/06/36/79/858063679.db2.gz KTYHEIFVZYVNGA-UHFFFAOYSA-N -1 3 382.791 3.949 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@H]1Cc1ccccc1)c1cnccc1C(F)(F)F ZINC000442739879 858089756 /nfs/dbraw/zinc/08/97/56/858089756.db2.gz GBHBIFYTPVDQMM-HOCLYGCPSA-N -1 3 384.423 3.790 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnccc1C(F)(F)F ZINC000442739621 858093131 /nfs/dbraw/zinc/09/31/31/858093131.db2.gz SDYFARDABMYWLY-ZJUUUORDSA-N -1 3 390.349 3.747 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cccc(Cl)c1Cl ZINC000442779717 858119700 /nfs/dbraw/zinc/11/97/00/858119700.db2.gz MRBHIDNYKVRSTC-LBPRGKRZSA-N -1 3 376.236 3.935 20 0 GHADHM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442817277 858159210 /nfs/dbraw/zinc/15/92/10/858159210.db2.gz XXLDAIVVSDMPRC-UHFFFAOYSA-N -1 3 388.411 3.581 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])NC(=O)C1CCCCC1 ZINC000066613217 858211104 /nfs/dbraw/zinc/21/11/04/858211104.db2.gz HNPJFOQIBHSZKD-LLVKDONJSA-N -1 3 383.286 3.568 20 0 GHADHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cnccc1C(F)(F)F ZINC000442913923 858220024 /nfs/dbraw/zinc/22/00/24/858220024.db2.gz SKQGLMWQOBPCCO-INIZCTEOSA-N -1 3 382.363 3.761 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1C1CC1 ZINC000281371157 863000920 /nfs/dbraw/zinc/00/09/20/863000920.db2.gz VOQUSFPDLYTRAQ-UHFFFAOYSA-N -1 3 388.367 3.800 20 0 GHADHM CC1(C)CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000442921119 858244693 /nfs/dbraw/zinc/24/46/93/858244693.db2.gz IVXHBFQZINNEDB-ZDUSSCGKSA-N -1 3 393.484 3.653 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000158109697 858312712 /nfs/dbraw/zinc/31/27/12/858312712.db2.gz JFSDDUWJWXQIJV-KOLCDFICSA-N -1 3 380.318 3.845 20 0 GHADHM CCC([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)(C1CC1)C1CC1 ZINC001212505038 858328337 /nfs/dbraw/zinc/32/83/37/858328337.db2.gz STIDBKVJZUXSKT-UHFFFAOYSA-N -1 3 391.942 3.744 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000574817639 858329838 /nfs/dbraw/zinc/32/98/38/858329838.db2.gz OORACZDKWIBHCA-AWEZNQCLSA-N -1 3 384.259 3.563 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)(C)C ZINC000443088180 858347612 /nfs/dbraw/zinc/34/76/12/858347612.db2.gz AQKGQAYFEFDXDO-KRWDZBQOSA-N -1 3 379.453 3.678 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1Cl ZINC000443094484 858372054 /nfs/dbraw/zinc/37/20/54/858372054.db2.gz CPSDPLSPCLJYMA-JTQLQIEISA-N -1 3 388.272 3.820 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000443112719 858379031 /nfs/dbraw/zinc/37/90/31/858379031.db2.gz RUQJNQINCVADJP-CQSZACIVSA-N -1 3 399.871 3.565 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl)c2[O-] ZINC000508416122 858466071 /nfs/dbraw/zinc/46/60/71/858466071.db2.gz ZIXAFJQBANFMLA-HNNXBMFYSA-N -1 3 398.894 3.955 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000158168998 858489091 /nfs/dbraw/zinc/48/90/91/858489091.db2.gz UNUNSOJELLMLAC-CABZTGNLSA-N -1 3 397.415 3.697 20 0 GHADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478844612 858585746 /nfs/dbraw/zinc/58/57/46/858585746.db2.gz SRHFCOOHNBLJRU-FQEVSTJZSA-N -1 3 398.478 3.727 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000443419128 858658949 /nfs/dbraw/zinc/65/89/49/858658949.db2.gz UUDLIHVFCJHOQK-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H]1c1cccnc1 ZINC000522148781 858670043 /nfs/dbraw/zinc/67/00/43/858670043.db2.gz ZORXOHKHDPOTGP-QGZVFWFLSA-N -1 3 398.260 3.663 20 0 GHADHM Cc1nc([C@H](C)NC(=O)c2cccc(CN3CCCCC3)c2)sc1C(=O)[O-] ZINC000909503874 858702372 /nfs/dbraw/zinc/70/23/72/858702372.db2.gz MRSIBGDOQBDPCO-AWEZNQCLSA-N -1 3 387.505 3.627 20 0 GHADHM COc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000665342232 858796198 /nfs/dbraw/zinc/79/61/98/858796198.db2.gz VCUNXDMRSIFHSP-UHFFFAOYSA-N -1 3 375.387 3.713 20 0 GHADHM COCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)sc2cccc(F)c21 ZINC000121101169 858811128 /nfs/dbraw/zinc/81/11/28/858811128.db2.gz FEPADIBACGYOCP-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM COCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)sc2cccc(F)c21 ZINC000121101169 858811136 /nfs/dbraw/zinc/81/11/36/858811136.db2.gz FEPADIBACGYOCP-UHFFFAOYSA-N -1 3 383.408 3.619 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4c(cccc4Cl)n3C)c[n-]c12 ZINC000183837883 858827526 /nfs/dbraw/zinc/82/75/26/858827526.db2.gz BWEFZWGQQHVDBA-UHFFFAOYSA-N -1 3 384.798 3.768 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000443503924 858852904 /nfs/dbraw/zinc/85/29/04/858852904.db2.gz UDMJBZROMKYMLQ-JTQLQIEISA-N -1 3 389.445 3.544 20 0 GHADHM CCc1cc2c(CN3CCSC[C@@H]3c3nccs3)cc(=O)oc2cc1[O-] ZINC000187038958 858862094 /nfs/dbraw/zinc/86/20/94/858862094.db2.gz NWUDIOYWVPJXHD-OAHLLOKOSA-N -1 3 388.514 3.808 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnn(CC(C)C)c3C3CC3)c[n-]c12 ZINC000673383079 858873380 /nfs/dbraw/zinc/87/33/80/858873380.db2.gz RVCPABPKXYSQHH-UHFFFAOYSA-N -1 3 382.439 3.958 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000522254484 858902189 /nfs/dbraw/zinc/90/21/89/858902189.db2.gz MJLLGDBRKFDZMN-HNNXBMFYSA-N -1 3 389.377 3.614 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H]2c3cc(Br)ccc3CC2(C)C)n1 ZINC000429280853 858918784 /nfs/dbraw/zinc/91/87/84/858918784.db2.gz SEXGDVJJXKXADL-KRWDZBQOSA-N -1 3 376.298 3.920 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccc(OC(C)C)c(C)c3)c([O-])c2c(OC)c1 ZINC000625801328 858936915 /nfs/dbraw/zinc/93/69/15/858936915.db2.gz RPMAYDIIEZBGLX-UHFFFAOYSA-N -1 3 396.443 3.893 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1nc(C)cs1 ZINC000543246895 859020323 /nfs/dbraw/zinc/02/03/23/859020323.db2.gz YWEVHECTSLCODT-SNVBAGLBSA-N -1 3 393.303 3.783 20 0 GHADHM CC[C@@H]1CCc2ccccc2N1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000482980209 859040508 /nfs/dbraw/zinc/04/05/08/859040508.db2.gz PKNPDWWELPMFGL-CQSZACIVSA-N -1 3 397.500 3.811 20 0 GHADHM Cc1oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2c1C ZINC000185387958 859078323 /nfs/dbraw/zinc/07/83/23/859078323.db2.gz HXZYJKDHIGBSMU-GOSISDBHSA-N -1 3 378.428 3.999 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC000923178685 859099103 /nfs/dbraw/zinc/09/91/03/859099103.db2.gz VVERIHMJMMKJCZ-KRWDZBQOSA-N -1 3 386.492 3.895 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483118917 859148139 /nfs/dbraw/zinc/14/81/39/859148139.db2.gz IDZWWVVGGUBRPS-ZDUSSCGKSA-N -1 3 399.417 3.809 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2C)c(=O)[n-]1 ZINC000543304873 859209870 /nfs/dbraw/zinc/20/98/70/859209870.db2.gz QQXZZUPATBFLGF-UHFFFAOYSA-N -1 3 378.432 3.700 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000466708837 859227801 /nfs/dbraw/zinc/22/78/01/859227801.db2.gz VEQONNASNMILTL-DZGCQCFKSA-N -1 3 393.915 3.842 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000543356005 859375109 /nfs/dbraw/zinc/37/51/09/859375109.db2.gz KNQNLWCHUFLUEW-SFHVURJKSA-N -1 3 382.851 3.733 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000195443709 859383823 /nfs/dbraw/zinc/38/38/23/859383823.db2.gz MQLSDTNDYQYZAS-UHFFFAOYSA-N -1 3 385.439 3.520 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000117298981 859385011 /nfs/dbraw/zinc/38/50/11/859385011.db2.gz LRRHACSJKZGZJQ-INIZCTEOSA-N -1 3 377.282 3.941 20 0 GHADHM CCn1c(CNCc2cc([O-])cc(F)c2)nc2cc(Br)ccc21 ZINC000483486822 859407868 /nfs/dbraw/zinc/40/78/68/859407868.db2.gz DCLCCRGVDLDZIT-UHFFFAOYSA-N -1 3 378.245 3.953 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3ccc(Cl)cc3)s2)c2ccccc21 ZINC000764414588 859444366 /nfs/dbraw/zinc/44/43/66/859444366.db2.gz WOCMHHAKADFVBT-ZROIWOOFSA-N -1 3 382.832 3.582 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483564900 859453283 /nfs/dbraw/zinc/45/32/83/859453283.db2.gz DYYDXOGLPLRIRO-CQSZACIVSA-N -1 3 381.402 3.994 20 0 GHADHM CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000804240904 859544404 /nfs/dbraw/zinc/54/44/04/859544404.db2.gz IIPLTLBLDQWRLE-INIZCTEOSA-N -1 3 398.459 3.925 20 0 GHADHM Cc1cc(C)c(CNC(=O)N[N-]C(=O)c2ccccc2Br)c(C)c1 ZINC000060566135 859555055 /nfs/dbraw/zinc/55/50/55/859555055.db2.gz GUCVZZUUHQCHEJ-UHFFFAOYSA-N -1 3 390.281 3.519 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C)c1ccc(C)o1 ZINC000474183503 859571545 /nfs/dbraw/zinc/57/15/45/859571545.db2.gz NDPPEKRLEIVTNU-CYBMUJFWSA-N -1 3 377.384 3.581 20 0 GHADHM CSc1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000673504948 859612416 /nfs/dbraw/zinc/61/24/16/859612416.db2.gz UNDOGMPWUGNNPF-MNOVXSKESA-N -1 3 393.896 3.556 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CC(C)C2)c(Br)c1 ZINC000474208645 859612590 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3.554 20 0 GHADHM O=C(COc1ccc2c([O-])coc2c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000642608662 912212555 /nfs/dbraw/zinc/21/25/55/912212555.db2.gz DEYYSXOQMSEUIP-UHFFFAOYSA-N -1 3 389.407 3.858 20 0 GHADHM Cc1cc(Br)ccc1CN(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000765097246 859785437 /nfs/dbraw/zinc/78/54/37/859785437.db2.gz BLEJOWJLDIIAFV-UHFFFAOYSA-N -1 3 386.249 3.679 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)C(=O)c3ccccc3)cc2)n1 ZINC000602114893 859791554 /nfs/dbraw/zinc/79/15/54/859791554.db2.gz NTUZSWKWJUYFBX-CQSZACIVSA-N -1 3 375.428 3.593 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000765228876 859855830 /nfs/dbraw/zinc/85/58/30/859855830.db2.gz OYEBWDDPHCSAKU-QMTHXVAHSA-N -1 3 392.279 3.923 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(-c2ccccc2F)n1 ZINC000118688541 859900302 /nfs/dbraw/zinc/90/03/02/859900302.db2.gz FZMHADUAOLVCTH-UHFFFAOYSA-N -1 3 382.463 3.667 20 0 GHADHM CCC[C@H](C)CS(=O)(=O)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000163594691 859957041 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CC(=O)c1cc(F)c([N-]C(=O)c2nn(C(C)C)cc2Br)c(F)c1 ZINC000904064135 860085614 /nfs/dbraw/zinc/08/56/14/860085614.db2.gz ROQXYSDGWHRMMY-UHFFFAOYSA-N -1 3 386.196 3.960 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000014098315 860089971 /nfs/dbraw/zinc/08/99/71/860089971.db2.gz JWFMCTQQBIANSL-UHFFFAOYSA-N -1 3 389.458 3.640 20 0 GHADHM O=C([O-])COc1ccc(CCCNCc2cccc(F)c2Br)cc1 ZINC000904072376 860097523 /nfs/dbraw/zinc/09/75/23/860097523.db2.gz GILPCJIWEIWUPF-UHFFFAOYSA-N -1 3 396.256 3.774 20 0 GHADHM COC(=O)c1cnc(SCc2csc(-c3cccc(OC)c3OC)n2)[n-]1 ZINC000484565966 860140682 /nfs/dbraw/zinc/14/06/82/860140682.db2.gz SODWICRWPHNUEI-UHFFFAOYSA-N -1 3 391.474 3.629 20 0 GHADHM O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc([O-])c2ccccc2c1 ZINC000526875109 860161456 /nfs/dbraw/zinc/16/14/56/860161456.db2.gz DVMVXJDIHGOOIT-HNNXBMFYSA-N -1 3 380.831 3.734 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(O[C@H]2CCOC2)c1 ZINC000527166466 860169693 /nfs/dbraw/zinc/16/96/93/860169693.db2.gz LEYKZHFNQJLHJO-IBGZPJMESA-N -1 3 377.440 3.952 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000602745522 860235202 /nfs/dbraw/zinc/23/52/02/860235202.db2.gz HNJSEYVSICTNPE-AAEUAGOBSA-N -1 3 377.282 3.941 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNC[C@@H]3SCCc4ccccc43)o2)CC1 ZINC000904220669 860243807 /nfs/dbraw/zinc/24/38/07/860243807.db2.gz URWFXDAVLRZOFM-IBGZPJMESA-N -1 3 386.517 3.701 20 0 GHADHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000484779474 860344752 /nfs/dbraw/zinc/34/47/52/860344752.db2.gz BEKAQATXURITRX-NXEZZACHSA-N -1 3 384.386 3.853 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2C)cc1Cl ZINC000484782730 860346145 /nfs/dbraw/zinc/34/61/45/860346145.db2.gz KDTCDPZXITWAGU-HZMBPMFUSA-N -1 3 390.908 3.931 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)s1 ZINC000484782339 860346635 /nfs/dbraw/zinc/34/66/35/860346635.db2.gz XJQUCAJNXHIPKM-HNNXBMFYSA-N -1 3 397.518 3.609 20 0 GHADHM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436567428 860365637 /nfs/dbraw/zinc/36/56/37/860365637.db2.gz OCDUEYONQYGZPQ-KRWDZBQOSA-N -1 3 391.427 3.804 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000904401989 860406748 /nfs/dbraw/zinc/40/67/48/860406748.db2.gz VELFZSSAJCTQNN-GOSISDBHSA-N -1 3 392.297 3.916 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000904401990 860406773 /nfs/dbraw/zinc/40/67/73/860406773.db2.gz VELFZSSAJCTQNN-SFHVURJKSA-N -1 3 392.297 3.916 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3cc4c(cc3[O-])OCO4)s2)cs1 ZINC000436628102 860443355 /nfs/dbraw/zinc/44/33/55/860443355.db2.gz WUDYZUXTHTVLIU-UHFFFAOYSA-N -1 3 388.470 3.587 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000191878334 860447344 /nfs/dbraw/zinc/44/73/44/860447344.db2.gz YIBKPJDEKLMMQY-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2csc3ccccc32)c([O-])c1 ZINC000730034682 860491913 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O=C(COC(=O)c1cccc(Br)c1[O-])c1ccc2c(c1)CCC2 ZINC000730364269 861073854 /nfs/dbraw/zinc/07/38/54/861073854.db2.gz IDLTZJCVRYFDBS-UHFFFAOYSA-N -1 3 375.218 3.683 20 0 GHADHM COc1ccc(C(=O)COC(=O)c2cccc(Br)c2[O-])cc1Cl ZINC000730363405 861073996 /nfs/dbraw/zinc/07/39/96/861073996.db2.gz DVSYDSXOJFQYTI-UHFFFAOYSA-N -1 3 399.624 3.856 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000599422020 861163829 /nfs/dbraw/zinc/16/38/29/861163829.db2.gz JWEWQNHKKJRJKP-UHFFFAOYSA-N -1 3 385.713 3.679 20 0 GHADHM CCc1cc2c(CN(C)Cc3cc(OC)cc(OC)c3)cc(=O)oc2cc1[O-] ZINC000920088946 881628492 /nfs/dbraw/zinc/62/84/92/881628492.db2.gz DCPAWEIQLPSQHW-UHFFFAOYSA-N -1 3 383.444 3.710 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c1 ZINC000444059764 863237169 /nfs/dbraw/zinc/23/71/69/863237169.db2.gz VUOXFJVDZVAMBL-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000482581321 863339713 /nfs/dbraw/zinc/33/97/13/863339713.db2.gz 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O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567404285 864669592 /nfs/dbraw/zinc/66/95/92/864669592.db2.gz CSDCCKFQIQGRIX-FQEVSTJZSA-N -1 3 389.455 3.748 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622017565 864704151 /nfs/dbraw/zinc/70/41/51/864704151.db2.gz WOGPWWQARVQVQJ-ZDUSSCGKSA-N -1 3 394.393 3.703 20 0 GHADHM COC(=O)N(C)Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000735326980 864727603 /nfs/dbraw/zinc/72/76/03/864727603.db2.gz TWFCOUJSFRZHHB-UHFFFAOYSA-N -1 3 384.432 3.556 20 0 GHADHM CCOc1ccc(C(F)(F)F)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000063441970 864767861 /nfs/dbraw/zinc/76/78/61/864767861.db2.gz KDKTWHLDKRJLAY-GXDHUFHOSA-N -1 3 376.334 3.827 20 0 GHADHM O=C(CCOc1ccc(Br)cc1F)NCc1ccc([O-])c(F)c1 ZINC000156212090 864770616 /nfs/dbraw/zinc/77/06/16/864770616.db2.gz OPQFEUOVTXVHCC-UHFFFAOYSA-N -1 3 386.192 3.518 20 0 GHADHM FC(F)(F)C1CCN(C2CC(N=c3nc(-c4ccccc4)[n-]s3)C2)CC1 ZINC000480559454 864863213 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O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc2c[nH]nc21 ZINC000444350778 865045752 /nfs/dbraw/zinc/04/57/52/865045752.db2.gz IKGBWTGKDZODCE-UHFFFAOYSA-N -1 3 378.432 3.583 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc2cn[nH]c21 ZINC000444350778 865045757 /nfs/dbraw/zinc/04/57/57/865045757.db2.gz IKGBWTGKDZODCE-UHFFFAOYSA-N -1 3 378.432 3.583 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000622570910 865090409 /nfs/dbraw/zinc/09/04/09/865090409.db2.gz XQFKPQLOODYEBO-UHFFFAOYSA-N -1 3 388.349 3.875 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cnccc1C(F)(F)F ZINC000480730560 865187189 /nfs/dbraw/zinc/18/71/89/865187189.db2.gz VFLIUBYQDBMKDY-OCCSQVGLSA-N -1 3 388.386 3.854 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)s1 ZINC000622739147 865193533 /nfs/dbraw/zinc/19/35/33/865193533.db2.gz WIQSPNWTQFDSKR-UHFFFAOYSA-N -1 3 396.516 3.825 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000622738937 865194724 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Cc1ccc(-c2csc3[n-]c(-c4cnc(NCC(F)F)cn4)nc(=O)c23)cc1 ZINC000487517302 869070395 /nfs/dbraw/zinc/07/03/95/869070395.db2.gz TUJAXQWJUHDJEM-UHFFFAOYSA-N -1 3 399.426 3.928 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1C ZINC000325436672 869099962 /nfs/dbraw/zinc/09/99/62/869099962.db2.gz MEWXBRYAKPBQOX-UHFFFAOYSA-N -1 3 391.276 3.916 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)N2CCCC2)cc1 ZINC000462273521 869130062 /nfs/dbraw/zinc/13/00/62/869130062.db2.gz QICKXBYFLXNQQC-GOSISDBHSA-N -1 3 398.450 3.528 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)sc1Cl ZINC000462299000 869195415 /nfs/dbraw/zinc/19/54/15/869195415.db2.gz OWOKCHLJMYWEJF-SNVBAGLBSA-N -1 3 379.837 3.790 20 0 GHADHM COc1cc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)cc2)nn1C ZINC000445950099 869212126 /nfs/dbraw/zinc/21/21/26/869212126.db2.gz UCSWGEMAYIGEIP-UHFFFAOYSA-N -1 3 389.411 3.967 20 0 GHADHM COc1cccc(OCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000524587616 869281783 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O=C(OC[C@@H]1CCCS1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000745958500 869909449 /nfs/dbraw/zinc/90/94/49/869909449.db2.gz MEXJFUGBGQBHFZ-AWEZNQCLSA-N -1 3 395.477 3.679 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000446514917 869941556 /nfs/dbraw/zinc/94/15/56/869941556.db2.gz OUFXAGJJGBSLEY-INIZCTEOSA-N -1 3 390.480 3.745 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)s1 ZINC000462725137 869948263 /nfs/dbraw/zinc/94/82/63/869948263.db2.gz YBJKXBIDNKQPMO-CKUKBARFSA-N -1 3 399.921 3.864 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)s1)c1nc(C)cs1 ZINC000173369937 882357147 /nfs/dbraw/zinc/35/71/47/882357147.db2.gz JESNGPVJOWEGRE-GFCCVEGCSA-N -1 3 395.369 3.879 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Br)s1)c1nc(C)cs1 ZINC000173369923 882357312 /nfs/dbraw/zinc/35/73/12/882357312.db2.gz JESNGPVJOWEGRE-LBPRGKRZSA-N -1 3 395.369 3.879 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000746199754 870106995 /nfs/dbraw/zinc/10/69/95/870106995.db2.gz MYOPJOWHVAULSD-UHFFFAOYSA-N -1 3 391.349 3.643 20 0 GHADHM Cc1cc(COC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)s1 ZINC000920795965 882380509 /nfs/dbraw/zinc/38/05/09/882380509.db2.gz QNESWMAREFLJOC-UHFFFAOYSA-N -1 3 397.518 3.637 20 0 GHADHM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(-c2nnc(C)o2)c1 ZINC001192266979 870252225 /nfs/dbraw/zinc/25/22/25/870252225.db2.gz OGBWRXQQLITDAJ-UHFFFAOYSA-N -1 3 379.825 3.508 20 0 GHADHM CSc1ncc(C(=O)[N-]c2cc(Cl)nnc2Cl)c(C(F)(F)F)n1 ZINC001192655757 870562156 /nfs/dbraw/zinc/56/21/56/870562156.db2.gz TYHQOECQOCEGEJ-UHFFFAOYSA-N -1 3 384.170 3.566 20 0 GHADHM CC(C)[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(Cl)c1 ZINC000461614537 870591938 /nfs/dbraw/zinc/59/19/38/870591938.db2.gz PKLARPCBGRDRMN-SFHVURJKSA-N -1 3 387.867 3.614 20 0 GHADHM CCN(CC(C)(C)C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000463006284 870649296 /nfs/dbraw/zinc/64/92/96/870649296.db2.gz BVKGVOQZRPGPPN-UHFFFAOYSA-N -1 3 395.352 3.556 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1sccc1-c1nnn[n-]1 ZINC000737853721 870676642 /nfs/dbraw/zinc/67/66/42/870676642.db2.gz UDCJKAXRJUXNHU-UHFFFAOYSA-N -1 3 383.408 3.899 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1sccc1-c1nn[n-]n1 ZINC000737853721 870676652 /nfs/dbraw/zinc/67/66/52/870676652.db2.gz UDCJKAXRJUXNHU-UHFFFAOYSA-N -1 3 383.408 3.899 20 0 GHADHM CCOC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000920883976 882436896 /nfs/dbraw/zinc/43/68/96/882436896.db2.gz GOONITUYRBOESN-INIZCTEOSA-N -1 3 383.341 3.867 20 0 GHADHM CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001192855642 870734754 /nfs/dbraw/zinc/73/47/54/870734754.db2.gz BCPLVEKQPDCYPD-SNVBAGLBSA-N -1 3 395.750 3.992 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cnccc2Cl)c(Br)nc1Cl ZINC001192861054 870740546 /nfs/dbraw/zinc/74/05/46/870740546.db2.gz NUBWJJXDMGGEOD-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2cccc(Cl)c2)no1)c1cnccc1Cl ZINC001192921203 870771854 /nfs/dbraw/zinc/77/18/54/870771854.db2.gz KIUUECYXZXLMGY-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM O=S(=O)([N-]CCCCCCCCCCCCO)c1cnccc1Cl ZINC001192921219 870773292 /nfs/dbraw/zinc/77/32/92/870773292.db2.gz KPXNTLAHEYVWQJ-UHFFFAOYSA-N -1 3 376.950 3.907 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(CN[C@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000738282232 870814654 /nfs/dbraw/zinc/81/46/54/870814654.db2.gz MGWKQUROOPRHJW-QFIPXVFZSA-N -1 3 388.467 3.841 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCc2ccc(OC)cc2OC)c([O-])c1 ZINC000538926042 870938547 /nfs/dbraw/zinc/93/85/47/870938547.db2.gz DHCGRLYYIHLDQX-UHFFFAOYSA-N -1 3 387.432 3.548 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)[n-]1 ZINC000617873658 870985342 /nfs/dbraw/zinc/98/53/42/870985342.db2.gz HLUSLHKHIXOXRV-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c[n-]1 ZINC000617873658 870985347 /nfs/dbraw/zinc/98/53/47/870985347.db2.gz HLUSLHKHIXOXRV-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)s1 ZINC000463161233 871003300 /nfs/dbraw/zinc/00/33/00/871003300.db2.gz NAWNPEGBKLXOBL-UHFFFAOYSA-N -1 3 398.275 3.942 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2 ZINC001168929689 871047019 /nfs/dbraw/zinc/04/70/19/871047019.db2.gz JPHVGUSPYGLTIN-UHFFFAOYSA-N -1 3 383.492 3.947 20 0 GHADHM COc1ccc(/C=C/c2nccc(-c3cnn(C)c3)n2)c(Br)c1[O-] ZINC000546914439 871106891 /nfs/dbraw/zinc/10/68/91/871106891.db2.gz LENXUNGPIJYGIE-GQCTYLIASA-N -1 3 387.237 3.524 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@]23C[C@@H]2CCCC3)cc1Cl ZINC001193547428 871144994 /nfs/dbraw/zinc/14/49/94/871144994.db2.gz IFNFWTWQUVZTJU-YOIRWDDOSA-N -1 3 388.892 3.685 20 0 GHADHM Cc1c(C(=O)NCc2ncccc2[O-])c(-c2ccccc2)nn1-c1ccccc1 ZINC001193551854 871180893 /nfs/dbraw/zinc/18/08/93/871180893.db2.gz BZOHYJPHFMUVKL-UHFFFAOYSA-N -1 3 384.439 3.878 20 0 GHADHM COC(=O)c1cc(Br)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000461924841 871234049 /nfs/dbraw/zinc/23/40/49/871234049.db2.gz YIWOVGKGCDERMZ-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000618080950 871267079 /nfs/dbraw/zinc/26/70/79/871267079.db2.gz UEGISTFFIVONBH-UHFFFAOYSA-N -1 3 376.434 3.944 20 0 GHADHM C[C@@](O)(C1CCN(C(=O)c2ccc([O-])cc2C(F)(F)F)CC1)C(F)(F)F ZINC001193746261 871289097 /nfs/dbraw/zinc/28/90/97/871289097.db2.gz RNGNJHKENPKKGS-CQSZACIVSA-N -1 3 385.304 3.577 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001193938900 871379508 /nfs/dbraw/zinc/37/95/08/871379508.db2.gz UFXFKIFHDHYSSV-UHFFFAOYSA-N -1 3 386.448 3.708 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793964969 882505834 /nfs/dbraw/zinc/50/58/34/882505834.db2.gz UTXUSUWPXYPUKS-MDZDMXLPSA-N -1 3 394.431 3.575 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793964969 882505847 /nfs/dbraw/zinc/50/58/47/882505847.db2.gz UTXUSUWPXYPUKS-MDZDMXLPSA-N -1 3 394.431 3.575 20 0 GHADHM O=C1[N-]C(=O)C(=CNCCOc2ccccc2-c2ccccc2)c2ccccc21 ZINC000921021814 882507167 /nfs/dbraw/zinc/50/71/67/882507167.db2.gz RBSDRMLLAGOLDA-PGMHBOJBSA-N -1 3 384.435 3.633 20 0 GHADHM O=S(=O)([N-]C1([C@@H]2CCCCO2)CCC1)c1cnc(-c2ccccc2)s1 ZINC001194019071 871436149 /nfs/dbraw/zinc/43/61/49/871436149.db2.gz XFSVLNIWSYVOQH-HNNXBMFYSA-N -1 3 378.519 3.580 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CC1 ZINC000463329983 871454812 /nfs/dbraw/zinc/45/48/12/871454812.db2.gz ZTBMJNLSJGEEFC-LLVKDONJSA-N -1 3 394.397 3.633 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000463337537 871468721 /nfs/dbraw/zinc/46/87/21/871468721.db2.gz QPYZJJIJPYTZND-UHFFFAOYSA-N -1 3 383.279 3.606 20 0 GHADHM CC(C)(C)OCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000618334459 871508478 /nfs/dbraw/zinc/50/84/78/871508478.db2.gz PTYOPKUMUZFOKQ-FQEVSTJZSA-N -1 3 398.503 3.575 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000539233837 871566926 /nfs/dbraw/zinc/56/69/26/871566926.db2.gz DVEISZDLIVHGRL-UHFFFAOYSA-N -1 3 383.429 3.770 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3cc(F)cnc3Cl)cc12 ZINC001194348079 871657506 /nfs/dbraw/zinc/65/75/06/871657506.db2.gz CUONBYHUXZJHKV-UHFFFAOYSA-N -1 3 388.207 3.582 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC1(c2ccccc2C(F)(F)F)CC1 ZINC001169637092 871700266 /nfs/dbraw/zinc/70/02/66/871700266.db2.gz SOJVIMZNYWZIST-UHFFFAOYSA-N -1 3 375.354 3.995 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC1(c2ccccc2C(F)(F)F)CC1 ZINC001169637092 871700283 /nfs/dbraw/zinc/70/02/83/871700283.db2.gz SOJVIMZNYWZIST-UHFFFAOYSA-N -1 3 375.354 3.995 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2F)s1 ZINC000462189702 871754218 /nfs/dbraw/zinc/75/42/18/871754218.db2.gz QKZRSUMIDMEUAC-VIFPVBQESA-N -1 3 392.315 3.868 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000182078571 871811131 /nfs/dbraw/zinc/81/11/31/871811131.db2.gz FOOWGBIFIWDGQF-CQSZACIVSA-N -1 3 387.505 3.989 20 0 GHADHM COc1cc(Br)cc2c(NCc3ncccc3[O-])nc(Cl)nc12 ZINC001169731729 871827657 /nfs/dbraw/zinc/82/76/57/871827657.db2.gz GBOPNSPFZSGVSN-UHFFFAOYSA-N -1 3 395.644 3.767 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC001194604177 871829945 /nfs/dbraw/zinc/82/99/45/871829945.db2.gz AJCJUAKAAOJYLT-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1[O-] ZINC000537641003 882554323 /nfs/dbraw/zinc/55/43/23/882554323.db2.gz HIGOZNLUSYDCGF-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](c4ccccc4)C[C@H]3C)nc(=O)c2c1C ZINC000253543493 871872666 /nfs/dbraw/zinc/87/26/66/871872666.db2.gz MCPUUTXBFFBPGW-IUODEOHRSA-N -1 3 397.500 3.870 20 0 GHADHM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000539399841 871900876 /nfs/dbraw/zinc/90/08/76/871900876.db2.gz DXCQAYNNIPVTQI-UHFFFAOYSA-N -1 3 395.440 3.541 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175278162 882564649 /nfs/dbraw/zinc/56/46/49/882564649.db2.gz UGOZXGIBPXTZDY-LLVKDONJSA-N -1 3 394.818 3.723 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccncn3)cc2)c(C)c1C ZINC001194864302 871994838 /nfs/dbraw/zinc/99/48/38/871994838.db2.gz LCFZPBFLTQNNLR-UHFFFAOYSA-N -1 3 383.473 3.878 20 0 GHADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001194873661 872002635 /nfs/dbraw/zinc/00/26/35/872002635.db2.gz JQIXERYEOKAVGM-GFCCVEGCSA-N -1 3 376.863 3.563 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC2(CCC2)CO1)c1ccc(Cl)cc1C(F)(F)F ZINC001194960682 872056144 /nfs/dbraw/zinc/05/61/44/872056144.db2.gz WTLMRFPAUKQAQD-LLVKDONJSA-N -1 3 383.819 3.596 20 0 GHADHM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000618861781 872060649 /nfs/dbraw/zinc/06/06/49/872060649.db2.gz NZBSPIMMCFGCNN-KRWDZBQOSA-N -1 3 376.453 3.545 20 0 GHADHM CCNC(=O)N(C)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000794115173 882579659 /nfs/dbraw/zinc/57/96/59/882579659.db2.gz ZYURTRURPRSDPI-UHFFFAOYSA-N -1 3 383.448 3.524 20 0 GHADHM CC(C)Oc1cc(Br)cc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000526114854 872152466 /nfs/dbraw/zinc/15/24/66/872152466.db2.gz XDAQLDHPXJVOTB-UHFFFAOYSA-N -1 3 375.226 3.760 20 0 GHADHM Cc1occc1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000618916981 872156668 /nfs/dbraw/zinc/15/66/68/872156668.db2.gz BLORGIZXYPCCGN-UHFFFAOYSA-N -1 3 391.855 3.507 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC3(c4ccccn4)CCC3)cc2)cc(=O)[n-]1 ZINC000552219634 872238227 /nfs/dbraw/zinc/23/82/27/872238227.db2.gz DTIMLFKDHVYXGT-UHFFFAOYSA-N -1 3 389.459 3.796 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2CCC=CCC2)c(F)cc1Br ZINC001195214697 872260712 /nfs/dbraw/zinc/26/07/12/872260712.db2.gz BVJLMRIAEGXOGH-UHFFFAOYSA-N -1 3 376.291 3.921 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000526952238 872324377 /nfs/dbraw/zinc/32/43/77/872324377.db2.gz MFGAKUHWKIXMEY-WCQYABFASA-N -1 3 377.282 3.989 20 0 GHADHM COC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195316472 872332215 /nfs/dbraw/zinc/33/22/15/872332215.db2.gz CQHFECPYDINYBK-UHFFFAOYSA-N -1 3 388.272 3.818 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Br)ccc3ccccc32)cn1 ZINC001195682805 872551078 /nfs/dbraw/zinc/55/10/78/872551078.db2.gz QEJWOCSJMGARAT-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2SCc2cscn2)[n-]1 ZINC000619446635 872635243 /nfs/dbraw/zinc/63/52/43/872635243.db2.gz RGNZCUJOKHGKBL-UHFFFAOYSA-N -1 3 388.474 3.588 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2SCc2cscn2)c[n-]1 ZINC000619446635 872635254 /nfs/dbraw/zinc/63/52/54/872635254.db2.gz RGNZCUJOKHGKBL-UHFFFAOYSA-N -1 3 388.474 3.588 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1OC ZINC000619448164 872636382 /nfs/dbraw/zinc/63/63/82/872636382.db2.gz GJAVECFKOVRYQP-UHFFFAOYSA-N -1 3 395.843 3.680 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1OC ZINC000619448164 872636389 /nfs/dbraw/zinc/63/63/89/872636389.db2.gz GJAVECFKOVRYQP-UHFFFAOYSA-N -1 3 395.843 3.680 20 0 GHADHM CN1CCO[C@@H]([C@H](NCc2cccc(Cl)c2[O-])c2ccc(Cl)cc2)C1 ZINC000182675689 872665592 /nfs/dbraw/zinc/66/55/92/872665592.db2.gz NVSTWTDGJVJBDJ-QZTJIDSGSA-N -1 3 381.303 3.861 20 0 GHADHM O=S(=O)(N[C@H]1CCCc2cc(Br)ccc21)c1ccc([O-])cc1 ZINC001195825698 872697557 /nfs/dbraw/zinc/69/75/57/872697557.db2.gz XKCQRWPFWAKDEH-INIZCTEOSA-N -1 3 382.279 3.511 20 0 GHADHM COc1ccc([C@@H](C)[C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182731685 872712593 /nfs/dbraw/zinc/71/25/93/872712593.db2.gz XXLQCYGGOAHJOR-KBPBESRZSA-N -1 3 378.494 3.679 20 0 GHADHM O=C(c1ccc(Sc2ccc(Cl)cc2)o1)N1CCc2c(=O)[n-]cnc2C1 ZINC000478224156 872715813 /nfs/dbraw/zinc/71/58/13/872715813.db2.gz GUQWQEMLJOABGI-UHFFFAOYSA-N -1 3 387.848 3.778 20 0 GHADHM CC1(C)CC(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000667314888 872775939 /nfs/dbraw/zinc/77/59/39/872775939.db2.gz IAJXKMCFPMOBHN-UHFFFAOYSA-N -1 3 379.888 3.594 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1)C(C)C ZINC000767715459 872779231 /nfs/dbraw/zinc/77/92/31/872779231.db2.gz KXIRSNOZRFWFOH-UHFFFAOYSA-N -1 3 378.494 3.739 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000775675595 872779732 /nfs/dbraw/zinc/77/97/32/872779732.db2.gz YZTSSAOXBBFEON-FQEVSTJZSA-N -1 3 393.447 3.573 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000775675595 872779737 /nfs/dbraw/zinc/77/97/37/872779737.db2.gz YZTSSAOXBBFEON-FQEVSTJZSA-N -1 3 393.447 3.573 20 0 GHADHM C[C@H](CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C)C(C)(C)C ZINC001195947285 872788250 /nfs/dbraw/zinc/78/82/50/872788250.db2.gz RMQSCQJKULLTBE-MGPQQGTHSA-N -1 3 394.478 3.522 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122703526 882668943 /nfs/dbraw/zinc/66/89/43/882668943.db2.gz DOURTXPVBPBHRR-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122703526 882668957 /nfs/dbraw/zinc/66/89/57/882668957.db2.gz DOURTXPVBPBHRR-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cn1 ZINC001196263537 872976278 /nfs/dbraw/zinc/97/62/78/872976278.db2.gz BGIQRMBUNUWWLH-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2C)c(Cl)c1 ZINC001196351574 873051285 /nfs/dbraw/zinc/05/12/85/873051285.db2.gz IIJQWEDENLDMMK-MRXNPFEDSA-N -1 3 383.879 3.866 20 0 GHADHM CCc1ccc(NC(=O)c2cc([O-])cc(I)c2)c(O)c1 ZINC001196417786 873101104 /nfs/dbraw/zinc/10/11/04/873101104.db2.gz SAGUNOMAQXCKEX-UHFFFAOYSA-N -1 3 383.185 3.517 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)ccc1F ZINC000541311628 873339456 /nfs/dbraw/zinc/33/94/56/873339456.db2.gz XMNKMTXONRDAKU-HNNXBMFYSA-N -1 3 396.406 3.574 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000122848770 882727872 /nfs/dbraw/zinc/72/78/72/882727872.db2.gz YFMQEENJMPGQSJ-OAHLLOKOSA-N -1 3 388.851 3.688 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000176768441 882730694 /nfs/dbraw/zinc/73/06/94/882730694.db2.gz YBESVDBSNHVQOQ-UHFFFAOYSA-N -1 3 377.897 3.502 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(OCc2ccccc2)CC1 ZINC000527749034 873554881 /nfs/dbraw/zinc/55/48/81/873554881.db2.gz TZPKILTXPDIVDT-UHFFFAOYSA-N -1 3 390.277 3.976 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001197073413 873580922 /nfs/dbraw/zinc/58/09/22/873580922.db2.gz NMJHFJYTXNQROD-JTQLQIEISA-N -1 3 393.373 3.509 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(SC)cc2F)c1 ZINC001197114059 873607324 /nfs/dbraw/zinc/60/73/24/873607324.db2.gz AIOVQAUHBMGJOD-RMKNXTFCSA-N -1 3 381.450 3.535 20 0 GHADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)C[C@H](C)O1 ZINC000134125889 882747718 /nfs/dbraw/zinc/74/77/18/882747718.db2.gz OCBBPSKTZZLGOX-TXEJJXNPSA-N -1 3 395.381 3.672 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC(C)(C)C1 ZINC000541512672 873757874 /nfs/dbraw/zinc/75/78/74/873757874.db2.gz ABHOPVWTPHLWQJ-LLVKDONJSA-N -1 3 377.282 3.799 20 0 GHADHM CC(C)N1CCc2nc(NC(=O)c3ccc(Br)c([O-])c3)sc2C1 ZINC000541527794 873780836 /nfs/dbraw/zinc/78/08/36/873780836.db2.gz DOWXCJALMWFKQQ-UHFFFAOYSA-N -1 3 396.310 3.630 20 0 GHADHM NC(=O)c1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC001197469295 873823623 /nfs/dbraw/zinc/82/36/23/873823623.db2.gz JEBWYIABCUKZBX-UHFFFAOYSA-N -1 3 389.786 3.972 20 0 GHADHM O=c1[nH]ccc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3Cl)ccc21 ZINC001197529593 873857380 /nfs/dbraw/zinc/85/73/80/873857380.db2.gz RCDPTRVPHJSYGL-UHFFFAOYSA-N -1 3 383.256 3.777 20 0 GHADHM O=C(Nc1ccnn1Br)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197705418 873992129 /nfs/dbraw/zinc/99/21/29/873992129.db2.gz HVRSTMBGBDYXRG-UHFFFAOYSA-N -1 3 388.221 3.578 20 0 GHADHM Cc1ccc2c(c1NC(=O)c1cc(OCc3ccccc3)ccc1[O-])CNC2=O ZINC001197724809 874008352 /nfs/dbraw/zinc/00/83/52/874008352.db2.gz WQFOWVFMFCJASY-UHFFFAOYSA-N -1 3 388.423 3.775 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1cc(Br)cc(C(F)(F)F)c1 ZINC001197825074 874079790 /nfs/dbraw/zinc/07/97/90/874079790.db2.gz ODAOGENPTZCSIU-UHFFFAOYSA-N -1 3 395.200 3.805 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1cc(F)cc(Br)c1Cl ZINC001197829067 874082226 /nfs/dbraw/zinc/08/22/26/874082226.db2.gz FQWVWHWVWUJFLW-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cncn1Cc1ccncc1 ZINC001197880704 874087942 /nfs/dbraw/zinc/08/79/42/874087942.db2.gz NJPFCSIHCXLDKA-UHFFFAOYSA-N -1 3 385.518 3.726 20 0 GHADHM CCOc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1[O-] ZINC000747187676 882792531 /nfs/dbraw/zinc/79/25/31/882792531.db2.gz LNOMOPJZRBKTMD-NTEUORMPSA-N -1 3 380.897 3.835 20 0 GHADHM COc1ccc(C[C@@H](C)CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1F ZINC000769478301 874097804 /nfs/dbraw/zinc/09/78/04/874097804.db2.gz XTZPRZZUAXKRFS-CYBMUJFWSA-N -1 3 396.484 3.505 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)[n-]n1 ZINC001197862696 874101441 /nfs/dbraw/zinc/10/14/41/874101441.db2.gz JIBVUZQAKOAGBD-UHFFFAOYSA-N -1 3 385.342 3.560 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[n-]1 ZINC001197862696 874101447 /nfs/dbraw/zinc/10/14/47/874101447.db2.gz JIBVUZQAKOAGBD-UHFFFAOYSA-N -1 3 385.342 3.560 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000804409003 882796635 /nfs/dbraw/zinc/79/66/35/882796635.db2.gz IWKIKHRYNMWVPH-QFIPXVFZSA-N -1 3 377.440 3.777 20 0 GHADHM Cc1ccc(O[C@H]2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)nc1 ZINC000858056406 882799502 /nfs/dbraw/zinc/79/95/02/882799502.db2.gz JFVGDXUXTCICMY-FQEVSTJZSA-N -1 3 388.467 3.980 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(Br)c1 ZINC000769650162 874212779 /nfs/dbraw/zinc/21/27/79/874212779.db2.gz FPHJZPFPEQGXFK-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cs2)cc1 ZINC000464653443 874261893 /nfs/dbraw/zinc/26/18/93/874261893.db2.gz RGJZPSYWDVPNFD-UHFFFAOYSA-N -1 3 383.864 3.991 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1F ZINC000541830145 874352138 /nfs/dbraw/zinc/35/21/38/874352138.db2.gz PZXVSMNUOVIVIU-YOEHRIQHSA-N -1 3 385.407 3.611 20 0 GHADHM COc1ncc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000770079546 874441590 /nfs/dbraw/zinc/44/15/90/874441590.db2.gz MBUGGRXCTWYNAS-UHFFFAOYSA-N -1 3 378.413 3.720 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1-c1ccccc1 ZINC001198650772 874545056 /nfs/dbraw/zinc/54/50/56/874545056.db2.gz COSLLXWPJNXLMX-UHFFFAOYSA-N -1 3 388.876 3.889 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1F)C1CCC1 ZINC001198722830 874581691 /nfs/dbraw/zinc/58/16/91/874581691.db2.gz LGQMDBGQOPFVHU-INIZCTEOSA-N -1 3 384.860 3.702 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000770708311 874844280 /nfs/dbraw/zinc/84/42/80/874844280.db2.gz FAOXOGRKAATRBE-LKFCYVNXSA-N -1 3 393.267 3.582 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1ccc(F)cc1C(F)(F)F ZINC000542139836 875010971 /nfs/dbraw/zinc/01/09/71/875010971.db2.gz DHHMUEUNXZKGHL-UHFFFAOYSA-N -1 3 399.369 3.713 20 0 GHADHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000771064299 875017551 /nfs/dbraw/zinc/01/75/51/875017551.db2.gz KCUGLYULOAJQSY-UHFFFAOYSA-N -1 3 381.395 3.927 20 0 GHADHM CSc1ccc(-c2cc(C(=O)[N-]c3nnco3)nn2-c2ccccc2)cc1 ZINC001199568560 875048257 /nfs/dbraw/zinc/04/82/57/875048257.db2.gz MMKFJYAAVSQQGM-UHFFFAOYSA-N -1 3 377.429 3.897 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(-c2ccccc2)cnc1F ZINC001199726579 875149078 /nfs/dbraw/zinc/14/90/78/875149078.db2.gz JKDZPMKBSZEKFM-UHFFFAOYSA-N -1 3 384.338 3.771 20 0 GHADHM Cc1ccncc1COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000771339938 875206610 /nfs/dbraw/zinc/20/66/10/875206610.db2.gz RQYCTWSYRWEPRI-NRFANRHFSA-N -1 3 390.439 3.700 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000542240346 875233002 /nfs/dbraw/zinc/23/30/02/875233002.db2.gz AFAJETFFWXCFBC-OAHLLOKOSA-N -1 3 395.349 3.693 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000542248478 875247518 /nfs/dbraw/zinc/24/75/18/875247518.db2.gz PYNZFUNLUWKTPB-AWEZNQCLSA-N -1 3 379.464 3.830 20 0 GHADHM CCSCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000867357503 875322571 /nfs/dbraw/zinc/32/25/71/875322571.db2.gz LEQZXLZHHDSHPS-UHFFFAOYSA-N -1 3 383.466 3.536 20 0 GHADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000771585824 875328618 /nfs/dbraw/zinc/32/86/18/875328618.db2.gz DNSXHPYYIBOGJQ-TVQRCGJNSA-N -1 3 382.309 3.562 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1nnc2ccccc2c1[O-])c1ccco1 ZINC000771557421 875332315 /nfs/dbraw/zinc/33/23/15/875332315.db2.gz WEBWOLOWXNZVGL-CQSZACIVSA-N -1 3 379.416 3.586 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)cc1F ZINC000475734527 882926235 /nfs/dbraw/zinc/92/62/35/882926235.db2.gz ONKSFNCCYUBBQP-UHFFFAOYSA-N -1 3 390.411 3.939 20 0 GHADHM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CC3)c1 ZINC000449817545 875434594 /nfs/dbraw/zinc/43/45/94/875434594.db2.gz ATOYNEFRUHFJFY-AWEZNQCLSA-N -1 3 382.851 3.814 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccccc2SC(C)C)cc1 ZINC001201216901 875582693 /nfs/dbraw/zinc/58/26/93/875582693.db2.gz VTULDPGLRVXWHU-UHFFFAOYSA-N -1 3 379.503 3.916 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc3c(Cl)nccc23)cc1 ZINC001201216144 875582878 /nfs/dbraw/zinc/58/28/78/875582878.db2.gz HNPPLYXTRHSCJO-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc3nc(Cl)ccc23)cc1 ZINC001201221144 875584323 /nfs/dbraw/zinc/58/43/23/875584323.db2.gz BZUQKGWOMSSEBG-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC001201372900 875645555 /nfs/dbraw/zinc/64/55/55/875645555.db2.gz TYCOFTXQTCQRSK-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM COC[C@@H](Cc1ccccc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000475740523 882959243 /nfs/dbraw/zinc/95/92/43/882959243.db2.gz BKFHCBZRUKTSFH-MRXNPFEDSA-N -1 3 377.444 3.771 20 0 GHADHM O=S(=O)([N-]c1c(O)cc(F)cc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201617858 875793030 /nfs/dbraw/zinc/79/30/30/875793030.db2.gz WGWYGYYGTNXRMS-UHFFFAOYSA-N -1 3 378.356 3.659 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)C1 ZINC001201697226 875824779 /nfs/dbraw/zinc/82/47/79/875824779.db2.gz VIVNLNFSDBYEFP-NSHDSACASA-N -1 3 395.308 3.745 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OC3COC3)c(F)c2)c(C)c1C ZINC001201799852 875867448 /nfs/dbraw/zinc/86/74/48/875867448.db2.gz RTFKEDHCVWLFOC-UHFFFAOYSA-N -1 3 393.480 3.946 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1ncccc1OCc1ccccc1 ZINC001201902897 875932418 /nfs/dbraw/zinc/93/24/18/875932418.db2.gz YNJOTLPBIBXHOP-UHFFFAOYSA-N -1 3 398.459 3.767 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc(Cl)cc(F)c1Br ZINC000491894290 876010411 /nfs/dbraw/zinc/01/04/11/876010411.db2.gz XYYGBNUPCPPMOZ-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM COc1cccc(OC)c1Oc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)cn1 ZINC000450265913 876189953 /nfs/dbraw/zinc/18/99/53/876189953.db2.gz MCKWZDFVXASRSS-UHFFFAOYSA-N -1 3 399.472 3.893 20 0 GHADHM O=S(=O)([N-]CCCc1cccs1)c1cc(F)ccc1Br ZINC000537659641 883007362 /nfs/dbraw/zinc/00/73/62/883007362.db2.gz UZJHPESPQGFTRT-UHFFFAOYSA-N -1 3 378.288 3.561 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000785851767 876302485 /nfs/dbraw/zinc/30/24/85/876302485.db2.gz NHAQTPQMXHGYNU-CQSZACIVSA-N -1 3 397.175 3.565 20 0 GHADHM FC(F)(F)c1n[n-]c(CNc2ncc(Br)cc2C(F)(F)F)n1 ZINC000450456485 876460959 /nfs/dbraw/zinc/46/09/59/876460959.db2.gz PZQNQCJESIQSBX-UHFFFAOYSA-N -1 3 390.085 3.612 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007099444 876526396 /nfs/dbraw/zinc/52/63/96/876526396.db2.gz CPDODEVHEKOKPL-IBGZPJMESA-N -1 3 385.416 3.655 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(Cl)cc1F ZINC000173958365 876745360 /nfs/dbraw/zinc/74/53/60/876745360.db2.gz GYZCJMHESTXUFQ-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM CCOC(=O)C1CCC(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000450698131 876789184 /nfs/dbraw/zinc/78/91/84/876789184.db2.gz PEEKSHNMOQYKMD-UHFFFAOYSA-N -1 3 398.488 3.735 20 0 GHADHM COc1cccc(C[C@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000529958291 876900069 /nfs/dbraw/zinc/90/00/69/876900069.db2.gz HQJMYRWDEZDYFK-QGZVFWFLSA-N -1 3 381.476 3.696 20 0 GHADHM C[C@H]1[C@@H](C(=O)Nc2ccc(Br)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000786763555 876916519 /nfs/dbraw/zinc/91/65/19/876916519.db2.gz IVCNOHSLJZURRM-JQWIXIFHSA-N -1 3 399.285 3.739 20 0 GHADHM COCCOC(=O)Nc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000786831981 876950710 /nfs/dbraw/zinc/95/07/10/876950710.db2.gz TUJTVLVRCLGWOU-UHFFFAOYSA-N -1 3 390.411 3.688 20 0 GHADHM Cc1ccc([C@@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)cc1C ZINC000850576753 877046620 /nfs/dbraw/zinc/04/66/20/877046620.db2.gz QZGKGJVXOJDVEX-OAHLLOKOSA-N -1 3 386.496 3.675 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000193465165 877118779 /nfs/dbraw/zinc/11/87/79/877118779.db2.gz RKYHCFSBKYBKCT-HNNXBMFYSA-N -1 3 393.443 3.865 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCCC2)c1ccc(F)cc1 ZINC000530138230 877192416 /nfs/dbraw/zinc/19/24/16/877192416.db2.gz MKAZEQHONNUDPD-HXUWFJFHSA-N -1 3 391.464 3.864 20 0 GHADHM C[C@H](CSC(=O)c1ccccc1)C(=O)Nc1ncc([O-])cc1Br ZINC001183082667 912238174 /nfs/dbraw/zinc/23/81/74/912238174.db2.gz BDHFSJUSDPMTCG-SNVBAGLBSA-N -1 3 395.278 3.698 20 0 GHADHM CC1(C)CCCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000137274311 877528746 /nfs/dbraw/zinc/52/87/46/877528746.db2.gz SRKMSYPVXYSOIU-INIZCTEOSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)COc3cc(C)ccc3C)nc(=O)c2c1C ZINC000007800090 877537108 /nfs/dbraw/zinc/53/71/08/877537108.db2.gz SMHYKAYMHAXLAM-ZDUSSCGKSA-N -1 3 386.473 3.901 20 0 GHADHM CCC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000546752075 877584880 /nfs/dbraw/zinc/58/48/80/877584880.db2.gz TVFNDCSXRVAZSB-AWEZNQCLSA-N -1 3 393.484 3.749 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)cc1Cl ZINC000175413794 877689945 /nfs/dbraw/zinc/68/99/45/877689945.db2.gz XODRXTPULDQKPH-NWDGAFQWSA-N -1 3 398.887 3.908 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000477502291 877745682 /nfs/dbraw/zinc/74/56/82/877745682.db2.gz GIYJTKFMTIENBC-UHFFFAOYSA-N -1 3 376.812 3.808 20 0 GHADHM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000110062352 877790745 /nfs/dbraw/zinc/79/07/45/877790745.db2.gz ZKQFMKZZIXGCQY-UHFFFAOYSA-N -1 3 377.322 3.593 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCN(c4ccccc4)[C@@H]3C)cc2)n1 ZINC000530497675 877937889 /nfs/dbraw/zinc/93/78/89/877937889.db2.gz LQQUDTJQUAOZRN-UZLBHIALSA-N -1 3 388.471 3.599 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000788306303 877984631 /nfs/dbraw/zinc/98/46/31/877984631.db2.gz STENSORWYXLSQA-UHFFFAOYSA-N -1 3 394.452 3.762 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c(C)c1Cl ZINC000788621168 878216896 /nfs/dbraw/zinc/21/68/96/878216896.db2.gz WLRKYQOUOHTSLB-UHFFFAOYSA-N -1 3 399.921 3.721 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000530656705 878276371 /nfs/dbraw/zinc/27/63/71/878276371.db2.gz YNNKRHRIUKLVBE-IBGZPJMESA-N -1 3 378.403 3.511 20 0 GHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000615990183 878387127 /nfs/dbraw/zinc/38/71/27/878387127.db2.gz YVEHPYZQUXMIFQ-UHFFFAOYSA-N -1 3 388.865 3.753 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)OCC)C2)c([O-])c1 ZINC000616170338 878628462 /nfs/dbraw/zinc/62/84/62/878628462.db2.gz UZEUWWXBFPNGFV-MRXNPFEDSA-N -1 3 377.481 3.767 20 0 GHADHM CC1CCN(Cc2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)CC1 ZINC000530878685 878691268 /nfs/dbraw/zinc/69/12/68/878691268.db2.gz TXSNIDVXAURNQP-UHFFFAOYSA-N -1 3 383.477 3.677 20 0 GHADHM Cn1nccc1C1=CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000285667852 912383749 /nfs/dbraw/zinc/38/37/49/912383749.db2.gz QEFCYPJPHWMQNM-UHFFFAOYSA-N -1 3 393.472 3.680 20 0 GHADHM CCc1cccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1[O-] ZINC000530959671 878805140 /nfs/dbraw/zinc/80/51/40/878805140.db2.gz AUAZRHBSGMSYNL-UHFFFAOYSA-N -1 3 381.259 3.972 20 0 GHADHM CC(C)c1cccc(CNCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c1 ZINC000853088120 878806996 /nfs/dbraw/zinc/80/69/96/878806996.db2.gz ARLLXUOPIGHKEA-UHFFFAOYSA-N -1 3 386.496 3.620 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(I)ccc2[O-])c1C ZINC000616406504 878810650 /nfs/dbraw/zinc/81/06/50/878810650.db2.gz PJQGGEXCKUFRSA-VIFPVBQESA-N -1 3 399.232 3.725 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C(F)(F)c1ccccc1F ZINC001183250891 912387536 /nfs/dbraw/zinc/38/75/36/912387536.db2.gz JZEQXRSTIKZZIQ-UHFFFAOYSA-N -1 3 382.729 3.700 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C[C@H](c3nccn3C)C(F)(F)F)[nH][n-]2)c1 ZINC000616445873 878836814 /nfs/dbraw/zinc/83/68/14/878836814.db2.gz YXOMPIUTXUTROT-CQSZACIVSA-N -1 3 391.397 3.524 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000177794423 878860900 /nfs/dbraw/zinc/86/09/00/878860900.db2.gz IMTJNOLPXRABKP-UHFFFAOYSA-N -1 3 377.775 3.725 20 0 GHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000530992150 878918820 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Cc1ccc(-n2nnnc2SCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000007049474 879467694 /nfs/dbraw/zinc/46/76/94/879467694.db2.gz YCFNFTRHHMISMZ-UHFFFAOYSA-N -1 3 390.428 3.658 20 0 GHADHM COCCc1nc(C)c([C@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)s1 ZINC000180901319 879470078 /nfs/dbraw/zinc/47/00/78/879470078.db2.gz AHSFHQQVPDOMAQ-LBPRGKRZSA-N -1 3 375.450 3.850 20 0 GHADHM COCCc1nc(C)c([C@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)s1 ZINC000180901319 879470085 /nfs/dbraw/zinc/47/00/85/879470085.db2.gz AHSFHQQVPDOMAQ-LBPRGKRZSA-N -1 3 375.450 3.850 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000112039572 879646991 /nfs/dbraw/zinc/64/69/91/879646991.db2.gz KZJQRPRPGFYVOG-SFQUDFHCSA-N -1 3 377.444 3.703 20 0 GHADHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493905410 879706747 /nfs/dbraw/zinc/70/67/47/879706747.db2.gz HSGIWXYIUMCLBF-CQSZACIVSA-N -1 3 398.750 3.568 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(C(F)(F)F)c(F)c1 ZINC000790483366 879757494 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3.508 20 0 GHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(CCOC)cc3)ccc2[nH]1 ZINC000531526965 880028925 /nfs/dbraw/zinc/02/89/25/880028925.db2.gz CMGKCSIDGAILTO-UHFFFAOYSA-N -1 3 387.505 3.895 20 0 GHADHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000130261904 880088860 /nfs/dbraw/zinc/08/88/60/880088860.db2.gz WAANEQSBUJVNHB-ZDUSSCGKSA-N -1 3 375.787 3.622 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C(C3CC3)C3CC3)cs2)c1 ZINC000183516645 880118083 /nfs/dbraw/zinc/11/80/83/880118083.db2.gz DUZSQXOBZNTIAT-UHFFFAOYSA-N -1 3 399.516 3.599 20 0 GHADHM CC(C)(C)OC(=O)CC1(NC(=O)c2cc3sccc3c([O-])c2)CCOCC1 ZINC000854930340 880154947 /nfs/dbraw/zinc/15/49/47/880154947.db2.gz WLTLBAPXBVGOJA-UHFFFAOYSA-N -1 3 391.489 3.618 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000791365681 880374117 /nfs/dbraw/zinc/37/41/17/880374117.db2.gz BUJBELLPLGBCMF-QGZVFWFLSA-N -1 3 380.469 3.875 20 0 GHADHM O=C(C[C@H]1COCCN1C(=O)c1cc2sccc2c([O-])c1)c1cccs1 ZINC000791387468 880379806 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O=S(=O)([N-]Cc1nccc2ccccc21)c1ccc(Br)cc1F ZINC000186219979 880822956 /nfs/dbraw/zinc/82/29/56/880822956.db2.gz QRVWCJINXBKRPX-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000855961256 880875006 /nfs/dbraw/zinc/87/50/06/880875006.db2.gz OKAAYSHKLBLNOI-NVXWUHKLSA-N -1 3 376.497 3.938 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000532006387 880877302 /nfs/dbraw/zinc/87/73/02/880877302.db2.gz IUSUUTABVAHSOE-HNNXBMFYSA-N -1 3 378.519 3.580 20 0 GHADHM O=S(=O)([N-]c1ccncc1F)c1ccc2cc(Br)ccc2c1 ZINC000186475213 880894583 /nfs/dbraw/zinc/89/45/83/880894583.db2.gz DBFXVFIUSNJWNK-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000792160771 880950458 /nfs/dbraw/zinc/95/04/58/880950458.db2.gz ZKABVEZILUPUOY-FQEVSTJZSA-N -1 3 375.424 3.893 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cccc2C)[n-]c1-c1ccccc1 ZINC000186852727 881005795 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CC(C)Cn1ccc2c1cccc2C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129732123 883141292 /nfs/dbraw/zinc/14/12/92/883141292.db2.gz FMKDTCUBKDOYHI-UHFFFAOYSA-N -1 3 378.411 3.869 20 0 GHADHM CC(C)Cn1ccc2c1cccc2C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129732123 883141298 /nfs/dbraw/zinc/14/12/98/883141298.db2.gz FMKDTCUBKDOYHI-UHFFFAOYSA-N -1 3 378.411 3.869 20 0 GHADHM CCn1cc(Cl)c(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)n1 ZINC001129746115 883172368 /nfs/dbraw/zinc/17/23/68/883172368.db2.gz LZVQIDQDGIYYSL-UHFFFAOYSA-N -1 3 398.275 3.893 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)cc2)n1 ZINC000551083419 883254614 /nfs/dbraw/zinc/25/46/14/883254614.db2.gz WAHRPVVHABSRDP-UHFFFAOYSA-N -1 3 382.420 3.669 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000747212864 883341487 /nfs/dbraw/zinc/34/14/87/883341487.db2.gz UXMKNGGPUXPQRS-UHFFFAOYSA-N -1 3 396.422 3.870 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000064474982 883482430 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COc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(N)c1F ZINC000805599748 883933369 /nfs/dbraw/zinc/93/33/69/883933369.db2.gz RKRPWBPCPKZDGF-QMMMGPOBSA-N -1 3 391.424 3.662 20 0 GHADHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000859786145 884061068 /nfs/dbraw/zinc/06/10/68/884061068.db2.gz YFDNKPLHYYPMQT-INIZCTEOSA-N -1 3 384.476 3.629 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(c3nncn3C3CC3)CC2)c([O-])c1 ZINC000190328578 884068144 /nfs/dbraw/zinc/06/81/44/884068144.db2.gz JRQABZIOBMWLAD-UHFFFAOYSA-N -1 3 384.480 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000760472483 884135029 /nfs/dbraw/zinc/13/50/29/884135029.db2.gz QPXOVSRBCCZJFL-NSHDSACASA-N -1 3 390.814 3.876 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)n1 ZINC000064342601 884228340 /nfs/dbraw/zinc/22/83/40/884228340.db2.gz BJZSJYIZPOAKFH-UHFFFAOYSA-N -1 3 387.411 3.754 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000192637344 884273366 /nfs/dbraw/zinc/27/33/66/884273366.db2.gz USHYGTXOELZDAE-NSHDSACASA-N -1 3 376.338 3.548 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)c(C)c1 ZINC000556266490 884291807 /nfs/dbraw/zinc/29/18/07/884291807.db2.gz GDORSMUVDJHBLL-UHFFFAOYSA-N -1 3 388.489 3.628 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(F)cc2F)c([O-])c1 ZINC000556275939 884326867 /nfs/dbraw/zinc/32/68/67/884326867.db2.gz BUVVGAILJXSFOB-UHFFFAOYSA-N -1 3 379.359 3.645 20 0 GHADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914605102 884334342 /nfs/dbraw/zinc/33/43/42/884334342.db2.gz SRUSCZCGFIOJIJ-UHFFFAOYSA-N -1 3 386.533 3.847 20 0 GHADHM CCOc1cc(CN(C)C(=O)c2ccc3[nH][n-]c(=O)c3c2)ccc1OC(F)F ZINC000666242285 884375763 /nfs/dbraw/zinc/37/57/63/884375763.db2.gz KDVFRQKJQXABHL-UHFFFAOYSA-N -1 3 391.374 3.541 20 0 GHADHM CCc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1C1CCCC1 ZINC000476324387 884396716 /nfs/dbraw/zinc/39/67/16/884396716.db2.gz FFXUXIYMLOJAMH-UHFFFAOYSA-N -1 3 392.297 3.959 20 0 GHADHM COc1cccc2c1OCC[C@H]2[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001130528603 884401527 /nfs/dbraw/zinc/40/15/27/884401527.db2.gz BPENPMAVJVKIBC-CYBMUJFWSA-N -1 3 382.794 3.784 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000476331672 884403309 /nfs/dbraw/zinc/40/33/09/884403309.db2.gz BYLBWQXHABNWSO-UHFFFAOYSA-N -1 3 396.410 3.851 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000476331672 884403316 /nfs/dbraw/zinc/40/33/16/884403316.db2.gz BYLBWQXHABNWSO-UHFFFAOYSA-N -1 3 396.410 3.851 20 0 GHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211089 884633149 /nfs/dbraw/zinc/63/31/49/884633149.db2.gz LWKWXHQULDPQBI-VIFPVBQESA-N -1 3 396.394 3.682 20 0 GHADHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000898212308 884634504 /nfs/dbraw/zinc/63/45/04/884634504.db2.gz HAZQMYUZRWZCCU-YJBOKZPZSA-N -1 3 378.476 3.773 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccccc3)c2)ccc1F ZINC000805261191 884703769 /nfs/dbraw/zinc/70/37/69/884703769.db2.gz UFZVNFWSNZFLLE-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[N-]OCCC(F)(F)F ZINC000154867002 884706032 /nfs/dbraw/zinc/70/60/32/884706032.db2.gz JPZAJKFHJQUJHO-OLZOCXBDSA-N -1 3 382.423 3.850 20 0 GHADHM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc21 ZINC000761830666 884709025 /nfs/dbraw/zinc/70/90/25/884709025.db2.gz BWETYDWRHJHSAJ-UHFFFAOYSA-N -1 3 385.533 3.860 20 0 GHADHM CC(C)OCc1ccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000919046881 884803698 /nfs/dbraw/zinc/80/36/98/884803698.db2.gz QUEHTGKJKPMXQY-UHFFFAOYSA-N -1 3 399.274 3.720 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000914859880 885016107 /nfs/dbraw/zinc/01/61/07/885016107.db2.gz ZUKJRAZVUPEFQZ-UHFFFAOYSA-N -1 3 398.462 3.562 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000747361011 885074020 /nfs/dbraw/zinc/07/40/20/885074020.db2.gz GRXVCURHRIABSZ-UHFFFAOYSA-N -1 3 384.867 3.947 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4[nH]c(=O)[nH]c4c3)nc(=O)c2c1C ZINC000914927290 885198329 /nfs/dbraw/zinc/19/83/29/885198329.db2.gz TXYZKOVDVMGJRI-MRVPVSSYSA-N -1 3 384.417 3.514 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1C(F)(F)F ZINC000795856369 912915466 /nfs/dbraw/zinc/91/54/66/912915466.db2.gz PEVUGCCZGLERHE-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM COc1cc(OC)c(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)c(OC)c1 ZINC000666573533 885322492 /nfs/dbraw/zinc/32/24/92/885322492.db2.gz UXKLHDROWJZWHD-UHFFFAOYSA-N -1 3 385.460 3.790 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3Cl)n[n-]2)o1 ZINC000919326811 885337773 /nfs/dbraw/zinc/33/77/73/885337773.db2.gz UFXRPQJFBXMZAM-SNVBAGLBSA-N -1 3 391.786 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3Cl)[n-]n2)o1 ZINC000919326811 885337795 /nfs/dbraw/zinc/33/77/95/885337795.db2.gz UFXRPQJFBXMZAM-SNVBAGLBSA-N -1 3 391.786 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc4ccccc4c3)n[n-]2)o1 ZINC000919328426 885341773 /nfs/dbraw/zinc/34/17/73/885341773.db2.gz OYMCYJCJBWMPAN-UHFFFAOYSA-N -1 3 375.384 3.927 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc4ccccc4c3)[n-]n2)o1 ZINC000919328426 885341792 /nfs/dbraw/zinc/34/17/92/885341792.db2.gz OYMCYJCJBWMPAN-UHFFFAOYSA-N -1 3 375.384 3.927 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)n[n-]2)o1 ZINC000919328577 885344197 /nfs/dbraw/zinc/34/41/97/885344197.db2.gz HAXYNESFYCEUCQ-UHFFFAOYSA-N -1 3 377.759 3.566 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)[n-]n2)o1 ZINC000919328577 885344212 /nfs/dbraw/zinc/34/42/12/885344212.db2.gz HAXYNESFYCEUCQ-UHFFFAOYSA-N -1 3 377.759 3.566 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Br)c(F)c1 ZINC000232294235 885372861 /nfs/dbraw/zinc/37/28/61/885372861.db2.gz ZOLVFTRYXNWLOP-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)n[n-]2)o1 ZINC000919324395 885380462 /nfs/dbraw/zinc/38/04/62/885380462.db2.gz HPNRAFDUVQVCKR-TZMCWYRMSA-N -1 3 379.416 3.501 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)[n-]n2)o1 ZINC000919324395 885380480 /nfs/dbraw/zinc/38/04/80/885380480.db2.gz HPNRAFDUVQVCKR-TZMCWYRMSA-N -1 3 379.416 3.501 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnn(-c2ccccc2)c1 ZINC000131046006 885436591 /nfs/dbraw/zinc/43/65/91/885436591.db2.gz ZCOOYQJCOCCBRD-UHFFFAOYSA-N -1 3 387.237 3.662 20 0 GHADHM C[C@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H](C(=O)[O-])C1 ZINC000229305552 885585350 /nfs/dbraw/zinc/58/53/50/885585350.db2.gz XKFWMRZBZKJBHQ-GXFFZTMASA-N -1 3 376.678 3.666 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1ccccc1[O-] ZINC000108333091 885656723 /nfs/dbraw/zinc/65/67/23/885656723.db2.gz NNCXDTCGKGRGNN-UHFFFAOYSA-N -1 3 390.277 3.633 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1nnc2ccccc2c1[O-] ZINC000807728957 885659186 /nfs/dbraw/zinc/65/91/86/885659186.db2.gz QJOYQVXBGUGXHS-UHFFFAOYSA-N -1 3 379.750 3.885 20 0 GHADHM COc1cccc2cc(C(=O)NCc3ccc([O-])c(Br)c3)oc21 ZINC000151605232 885702944 /nfs/dbraw/zinc/70/29/44/885702944.db2.gz 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O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000919711329 886177665 /nfs/dbraw/zinc/17/76/65/886177665.db2.gz JCIZEQLXVSACNA-OAHLLOKOSA-N -1 3 382.847 3.865 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccnc2F)cc1 ZINC000808287111 886191460 /nfs/dbraw/zinc/19/14/60/886191460.db2.gz AOTQWMVJWXFKIV-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000476497253 886202499 /nfs/dbraw/zinc/20/24/99/886202499.db2.gz XVROEYOENBDHST-UHFFFAOYSA-N -1 3 396.365 3.914 20 0 GHADHM O=S(=O)([N-]c1cc2ccccc2nc1Br)c1ccc(Cl)nc1 ZINC000762505886 886309294 /nfs/dbraw/zinc/30/92/94/886309294.db2.gz YEAWHESBXRKGLS-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM COCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000119039703 886386267 /nfs/dbraw/zinc/38/62/67/886386267.db2.gz FWWHCBYHKXJWEX-UHFFFAOYSA-N -1 3 390.505 3.715 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000119115473 886436393 /nfs/dbraw/zinc/43/63/93/886436393.db2.gz STAYXDULUDDOGU-UHFFFAOYSA-N -1 3 383.536 3.711 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000762583911 886461431 /nfs/dbraw/zinc/46/14/31/886461431.db2.gz PRWRKULPOOLPPO-RHSMWYFYSA-N -1 3 394.487 3.616 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCOc2ccccc21 ZINC000119193321 886467503 /nfs/dbraw/zinc/46/75/03/886467503.db2.gz UAFYPZSSQYCOGK-OAHLLOKOSA-N -1 3 391.265 3.868 20 0 GHADHM Cc1cnc([C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C2CC2)s1 ZINC000119272035 886509485 /nfs/dbraw/zinc/50/94/85/886509485.db2.gz VOPPLSAURRGILI-CQSZACIVSA-N -1 3 396.310 3.870 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000808568497 886515284 /nfs/dbraw/zinc/51/52/84/886515284.db2.gz MIXBTGHJTRGFKI-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCOCC2)cc1F ZINC000762625242 886533826 /nfs/dbraw/zinc/53/38/26/886533826.db2.gz RDWKTPKZJCDJRG-IBGZPJMESA-N -1 3 381.444 3.719 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)n[n-]2)o1 ZINC000131928256 886605561 /nfs/dbraw/zinc/60/55/61/886605561.db2.gz LXVQKLYTMAFMLI-UHFFFAOYSA-N -1 3 387.399 3.622 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCCC1CC1 ZINC000119504183 886695594 /nfs/dbraw/zinc/69/55/94/886695594.db2.gz WDUOWKCGWNYEKI-UHFFFAOYSA-N -1 3 390.480 3.855 20 0 GHADHM CCC(CC)c1cc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)on1 ZINC000640291389 886744347 /nfs/dbraw/zinc/74/43/47/886744347.db2.gz AWHJFNZBJPSYCY-UHFFFAOYSA-N -1 3 393.797 3.734 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccc3)on2)c1 ZINC000057650189 886792527 /nfs/dbraw/zinc/79/25/27/886792527.db2.gz LXAIQWGQMYHVCV-UHFFFAOYSA-N -1 3 376.821 3.651 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C ZINC000863404439 887088794 /nfs/dbraw/zinc/08/87/94/887088794.db2.gz XGLLBMZVTQZLBG-UHFFFAOYSA-N -1 3 390.461 3.763 20 0 GHADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459308833 887246308 /nfs/dbraw/zinc/24/63/08/887246308.db2.gz PNZPESVKCXEPBZ-UHFFFAOYSA-N -1 3 394.397 3.539 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)c1ncc(Br)cn1 ZINC000809377946 887349481 /nfs/dbraw/zinc/34/94/81/887349481.db2.gz PFKWFDMZFIBTGV-LBPRGKRZSA-N -1 3 386.249 3.744 20 0 GHADHM CCN(C[C@H]1CCN(Cc2cccc([O-])c2Br)C1)CC(F)(F)F ZINC000459335221 887470735 /nfs/dbraw/zinc/47/07/35/887470735.db2.gz FYOOEJLHECGSAY-GFCCVEGCSA-N -1 3 395.263 3.861 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC3CC3)ccc2C)c(C)c1 ZINC000026206177 887529429 /nfs/dbraw/zinc/52/94/29/887529429.db2.gz PZBWJMDQOMZFDD-UHFFFAOYSA-N -1 3 386.517 3.861 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)c([O-])c1 ZINC000536622164 887714743 /nfs/dbraw/zinc/71/47/43/887714743.db2.gz ALLDMKGYMMFDEW-UHFFFAOYSA-N -1 3 398.440 3.857 20 0 GHADHM Cc1cnc(-c2cccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)o1 ZINC000133367482 887754816 /nfs/dbraw/zinc/75/48/16/887754816.db2.gz BQJGYTYHPITLCQ-YWZLYKJASA-N -1 3 388.489 3.787 20 0 GHADHM COCCC[C@@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000794735443 887971268 /nfs/dbraw/zinc/97/12/68/887971268.db2.gz ICMDRTHVZSWVLI-IEOAWGNMSA-N -1 3 398.890 3.751 20 0 GHADHM O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000055997293 888343611 /nfs/dbraw/zinc/34/36/11/888343611.db2.gz JWLSJMWEAYSWLZ-JOCHJYFZSA-N -1 3 397.434 3.638 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1Cl ZINC000614863620 888400620 /nfs/dbraw/zinc/40/06/20/888400620.db2.gz LIOCHQVPYPOHEM-UHFFFAOYSA-N -1 3 399.896 3.955 20 0 GHADHM CC(C)c1noc(Cc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2)n1 ZINC000763279468 888436766 /nfs/dbraw/zinc/43/67/66/888436766.db2.gz LESMKWDXIIQMNZ-UHFFFAOYSA-N -1 3 389.415 3.685 20 0 GHADHM CN(CC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)C(=O)OC(C)(C)C ZINC000810348243 888446874 /nfs/dbraw/zinc/44/68/74/888446874.db2.gz KCHZIIHLNSVYTA-UHFFFAOYSA-N -1 3 382.888 3.765 20 0 GHADHM CC[C@@H](C)CONC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000794854735 888491697 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O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000454310979 888821973 /nfs/dbraw/zinc/82/19/73/888821973.db2.gz BZSWGFQRSBDVTM-KRWDZBQOSA-N -1 3 383.835 3.983 20 0 GHADHM O=c1[n-]c(CN[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)nc2c1COCC2 ZINC000866628618 888980717 /nfs/dbraw/zinc/98/07/17/888980717.db2.gz QBHUYSNQPNYEEI-CYBMUJFWSA-N -1 3 396.274 3.565 20 0 GHADHM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810902712 889010597 /nfs/dbraw/zinc/01/05/97/889010597.db2.gz DWWHFJCPZBJWKP-BRADTZPFSA-N -1 3 388.817 3.660 20 0 GHADHM CSc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC000532838420 889057939 /nfs/dbraw/zinc/05/79/39/889057939.db2.gz YEROIATXWHQZMD-LLVKDONJSA-N -1 3 376.865 3.759 20 0 GHADHM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000867615266 889104412 /nfs/dbraw/zinc/10/44/12/889104412.db2.gz YSCBPDDGUBZSKE-UHFFFAOYSA-N -1 3 380.432 3.505 20 0 GHADHM Cc1cccc(C(C)(C)C)c1NC(=O)Nc1ncc(Br)[n-]c1=O ZINC001184632572 913328035 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Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000064374425 889921623 /nfs/dbraw/zinc/92/16/23/889921623.db2.gz OKPFSVOMXIHILY-UHFFFAOYSA-N -1 3 389.455 3.964 20 0 GHADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1-c1ccccn1 ZINC000125354295 889965652 /nfs/dbraw/zinc/96/56/52/889965652.db2.gz XIGRZKZLIBVKPB-UHFFFAOYSA-N -1 3 376.338 3.806 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000125739686 890111611 /nfs/dbraw/zinc/11/16/11/890111611.db2.gz JWIGOBYCZQKFCM-NEPJUHHUSA-N -1 3 379.913 3.897 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000870171602 890240065 /nfs/dbraw/zinc/24/00/65/890240065.db2.gz SWSHTMPLJYLVOU-UHFFFAOYSA-N -1 3 388.467 3.888 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)N[C@H](CC2CC2)c2ccccc2)C1)C(F)(F)F ZINC000812058424 890295609 /nfs/dbraw/zinc/29/56/09/890295609.db2.gz DHRPSTMGQYWBEO-NVXWUHKLSA-N -1 3 397.441 3.628 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000033101959 890307329 /nfs/dbraw/zinc/30/73/29/890307329.db2.gz ZKQUDXPJQPGVRT-UKRRQHHQSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)N(C[C@H](O)c1ccc2ccccc2c1)C(=O)c1[n-]c(=O)ccc1Cl ZINC001184808456 913450821 /nfs/dbraw/zinc/45/08/21/913450821.db2.gz YGNZVQQNULRHNC-SFHVURJKSA-N -1 3 384.863 3.604 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000871274560 890721362 /nfs/dbraw/zinc/72/13/62/890721362.db2.gz PNUDGWXKIUEJJS-OAHLLOKOSA-N -1 3 378.350 3.712 20 0 GHADHM CS[C@H](C)CCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314841 890748913 /nfs/dbraw/zinc/74/89/13/890748913.db2.gz GBRKZRJYWJVEJD-OLZOCXBDSA-N -1 3 388.455 3.717 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C(F)F)ncn3)nc(=O)c2c1C ZINC000923986401 890785412 /nfs/dbraw/zinc/78/54/12/890785412.db2.gz LYRDLUYQHODCQC-ZETCQYMHSA-N -1 3 380.376 3.659 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000497336117 890964133 /nfs/dbraw/zinc/96/41/33/890964133.db2.gz RTIREHFNQFPGQN-UHFFFAOYSA-N -1 3 396.878 3.666 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2)ccc1OC(F)F ZINC000871883052 891072793 /nfs/dbraw/zinc/07/27/93/891072793.db2.gz ASFSXCLLYYFXNZ-QGZVFWFLSA-N -1 3 381.375 3.611 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@H]2CCCCC23CCCC3)C1)C(F)(F)F ZINC000812930740 891136396 /nfs/dbraw/zinc/13/63/96/891136396.db2.gz UXCTXUXGTKTSNK-GJZGRUSLSA-N -1 3 389.462 3.590 20 0 GHADHM C[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc([O-])c1F ZINC000872070778 891137954 /nfs/dbraw/zinc/13/79/54/891137954.db2.gz WIEVBQKQVRPVDW-SNVBAGLBSA-N -1 3 391.386 3.804 20 0 GHADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000497354761 891193027 /nfs/dbraw/zinc/19/30/27/891193027.db2.gz LZNCCQPOCIWYBQ-NSHDSACASA-N -1 3 391.386 3.763 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)N(C)Cc1cccc(F)c1 ZINC000747836426 891261270 /nfs/dbraw/zinc/26/12/70/891261270.db2.gz XSIZWSIFAYLHET-MRXNPFEDSA-N -1 3 394.446 3.616 20 0 GHADHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000872457465 891264377 /nfs/dbraw/zinc/26/43/77/891264377.db2.gz APXZIHKVJWXSJH-SXBQZSJRSA-N -1 3 395.550 3.540 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000614873475 891507688 /nfs/dbraw/zinc/50/76/88/891507688.db2.gz WIZLMYSNPYOVKY-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000161680672 891785299 /nfs/dbraw/zinc/78/52/99/891785299.db2.gz VKSVYHVHDJNHEX-KRWDZBQOSA-N -1 3 387.549 3.623 20 0 GHADHM Cc1ccc(-c2noc(CCC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)n2)cc1F ZINC000497577753 891888867 /nfs/dbraw/zinc/88/88/67/891888867.db2.gz HWLYOHKXCGQQSM-UHFFFAOYSA-N -1 3 391.406 3.567 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCN(Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000874043545 891965339 /nfs/dbraw/zinc/96/53/39/891965339.db2.gz VIYNAAJUGUPHAU-HXUWFJFHSA-N -1 3 391.899 3.572 20 0 GHADHM CCc1ccc(CNC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000825712127 891981135 /nfs/dbraw/zinc/98/11/35/891981135.db2.gz KPZOKILGXFLHSC-UHFFFAOYSA-N -1 3 393.925 3.553 20 0 GHADHM CCc1ccc(CNC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000825712127 891981147 /nfs/dbraw/zinc/98/11/47/891981147.db2.gz KPZOKILGXFLHSC-UHFFFAOYSA-N -1 3 393.925 3.553 20 0 GHADHM CO[C@H]1CCC[C@@H]1Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000645028913 913621423 /nfs/dbraw/zinc/62/14/23/913621423.db2.gz PDCPSVONIGCZDX-KBPBESRZSA-N -1 3 376.869 3.834 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000128522338 892057569 /nfs/dbraw/zinc/05/75/69/892057569.db2.gz NGUSLIGPAFIYCA-SNVBAGLBSA-N -1 3 383.311 3.955 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc[nH]c3)ccc2C)cc1 ZINC000068229114 892075085 /nfs/dbraw/zinc/07/50/85/892075085.db2.gz TZNDHVJDSIHLIZ-UHFFFAOYSA-N -1 3 399.472 3.775 20 0 GHADHM O=C(c1ccc([O-])cc1Cl)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001272108399 892128474 /nfs/dbraw/zinc/12/84/74/892128474.db2.gz IMLUSSHNXUKDTI-TXEJJXNPSA-N -1 3 376.806 3.677 20 0 GHADHM Cc1cc(Br)c(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874929677 892379840 /nfs/dbraw/zinc/37/98/40/892379840.db2.gz MBRYODYXUPAYCN-WTKPLQERSA-N -1 3 377.057 3.844 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2scnc2C(F)F)cc(C(=O)OCC)c1 ZINC000875018444 892409560 /nfs/dbraw/zinc/40/95/60/892409560.db2.gz IDKUQLAIYWGACL-UHFFFAOYSA-N -1 3 398.387 3.686 20 0 GHADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000917726920 892470760 /nfs/dbraw/zinc/47/07/60/892470760.db2.gz PTOKCOCNULYUHM-UHFFFAOYSA-N -1 3 386.395 3.941 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](O)c3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000814306413 892502388 /nfs/dbraw/zinc/50/23/88/892502388.db2.gz WLPWEPFPIPLMIG-SFHVURJKSA-N -1 3 398.850 3.666 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000645093748 913669816 /nfs/dbraw/zinc/66/98/16/913669816.db2.gz SFCFEJJHZSTIGH-UHFFFAOYSA-N -1 3 391.449 3.936 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)cc3C(F)(F)F)nc21 ZINC000162466077 892542119 /nfs/dbraw/zinc/54/21/19/892542119.db2.gz GMBFTNRQJKMNHX-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cccs1 ZINC000917931139 892844417 /nfs/dbraw/zinc/84/44/17/892844417.db2.gz JLQWXTRDMHYHMN-ZDUSSCGKSA-N -1 3 375.947 3.899 20 0 GHADHM CC[C@@H](NCc1cccc([O-])c1Cl)c1ccccc1OCC(=O)N(C)C ZINC000645146821 913705256 /nfs/dbraw/zinc/70/52/56/913705256.db2.gz ZYUDBHUZUHRBSX-MRXNPFEDSA-N -1 3 376.884 3.754 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000498030061 893004588 /nfs/dbraw/zinc/00/45/88/893004588.db2.gz GSFPJEIBNRBXIQ-UHFFFAOYSA-N -1 3 380.441 3.624 20 0 GHADHM CN1C(=O)C[C@@H](NCc2cccc([O-])c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000645169629 913725458 /nfs/dbraw/zinc/72/54/58/913725458.db2.gz CPHAPUNTIUXMLR-RDTXWAMCSA-N -1 3 383.250 3.900 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)nc2)n1 ZINC000428681297 893184903 /nfs/dbraw/zinc/18/49/03/893184903.db2.gz NACCLUDEAPGLGP-XMSQKQJNSA-N -1 3 394.450 3.524 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cn3ccc4ccc(Cl)cc43)nc21 ZINC001134753074 893262269 /nfs/dbraw/zinc/26/22/69/893262269.db2.gz CLKJGRGBEBCURA-UHFFFAOYSA-N -1 3 396.834 3.986 20 0 GHADHM Cc1cccc([C@@H](NCc2nnc(-c3ccccc3[O-])o2)C(=O)OC(C)(C)C)c1 ZINC000933894363 893286849 /nfs/dbraw/zinc/28/68/49/893286849.db2.gz IHWIZBYUXYCJHA-LJQANCHMSA-N -1 3 395.459 3.923 20 0 GHADHM Cn1c(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])nnc1C1CCC1 ZINC000129374502 893298183 /nfs/dbraw/zinc/29/81/83/893298183.db2.gz LIDDGXABQBRHGU-UHFFFAOYSA-N -1 3 390.487 3.503 20 0 GHADHM Clc1cccc(Cc2cnc(N=c3ncnc4[nH][n-]cc3-4)s2)c1Cl ZINC000533889964 893415001 /nfs/dbraw/zinc/41/50/01/893415001.db2.gz ZDNCBDZDINTTRR-UHFFFAOYSA-N -1 3 377.260 3.824 20 0 GHADHM C[C@H]1CN(c2ccc(NCc3cccc([O-])c3Br)cn2)C[C@H](C)O1 ZINC000459455562 893560485 /nfs/dbraw/zinc/56/04/85/893560485.db2.gz GIXVJWSVIWWPJT-STQMWFEESA-N -1 3 392.297 3.775 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCc2cccc(Cl)c2)cc1 ZINC000918500240 893804923 /nfs/dbraw/zinc/80/49/23/893804923.db2.gz BTCRLEGOHWIWOB-UHFFFAOYSA-N -1 3 397.880 3.612 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)C(=O)N1c2ccccc2C[C@H]1C ZINC000459572763 893841977 /nfs/dbraw/zinc/84/19/77/893841977.db2.gz PVYHWHAFEIMRBJ-OLZOCXBDSA-N -1 3 389.293 3.611 20 0 GHADHM CCOC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1cnsn1 ZINC000918550412 893945921 /nfs/dbraw/zinc/94/59/21/893945921.db2.gz RPVCMIADGHQGDC-UHFFFAOYSA-N -1 3 377.422 3.835 20 0 GHADHM CCN(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1ccc(C)cc1 ZINC000918561309 893986048 /nfs/dbraw/zinc/98/60/48/893986048.db2.gz GAXUSVTVOWLSAG-UHFFFAOYSA-N -1 3 390.505 3.577 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000536883110 894013343 /nfs/dbraw/zinc/01/33/43/894013343.db2.gz OUZQWAXGFOROBS-LLVKDONJSA-N -1 3 393.270 3.575 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)[N-]c3nc4ccc(F)cn4n3)cs2)cc1 ZINC000129880043 894029429 /nfs/dbraw/zinc/02/94/29/894029429.db2.gz AEWIZPJXXXFJLK-UHFFFAOYSA-N -1 3 383.408 3.643 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000878212004 894095592 /nfs/dbraw/zinc/09/55/92/894095592.db2.gz FYQBHCNHYSOYPA-UHFFFAOYSA-N -1 3 389.883 3.763 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(c3nc4ccccc4[nH]3)CC2)o1 ZINC000878240198 894123561 /nfs/dbraw/zinc/12/35/61/894123561.db2.gz DUPNIVMYLCHAPU-UHFFFAOYSA-N -1 3 375.432 3.698 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)c[n-]1 ZINC000815937314 894313504 /nfs/dbraw/zinc/31/35/04/894313504.db2.gz QUPHOGTXNBCUSM-UHFFFAOYSA-N -1 3 375.384 3.574 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2noc(-c3cccc(Cl)c3Cl)n2)n1 ZINC000878687225 894510218 /nfs/dbraw/zinc/51/02/18/894510218.db2.gz MXWZGWAYIPFNCT-UHFFFAOYSA-N -1 3 394.262 3.872 20 0 GHADHM CC(C)(C)OC(=O)CCC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878934043 894733670 /nfs/dbraw/zinc/73/36/70/894733670.db2.gz UOWHBUYBWGSTMB-UHFFFAOYSA-N -1 3 387.480 3.776 20 0 GHADHM C[C@@H]1C[C@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCO1 ZINC000537388034 894878558 /nfs/dbraw/zinc/87/85/58/894878558.db2.gz ATDYDYWIFBIFPO-NXEZZACHSA-N -1 3 398.688 3.668 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1 ZINC000816600978 894963650 /nfs/dbraw/zinc/96/36/50/894963650.db2.gz NCOTXXUNRPDMTH-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1cccs1 ZINC000645484254 913929017 /nfs/dbraw/zinc/92/90/17/913929017.db2.gz AWUKMUBBDMDGBB-INIZCTEOSA-N -1 3 398.550 3.807 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000816868458 895141455 /nfs/dbraw/zinc/14/14/55/895141455.db2.gz QALMLTYELVQNAX-HNNXBMFYSA-N -1 3 380.872 3.565 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816933223 895224058 /nfs/dbraw/zinc/22/40/58/895224058.db2.gz ZXYMJLVKJDOBIH-HNNXBMFYSA-N -1 3 381.501 3.853 20 0 GHADHM COCCC1(c2noc(-c3ccc(C(=O)OCc4ccccc4)[n-]3)n2)CCC1 ZINC000817098323 895339903 /nfs/dbraw/zinc/33/99/03/895339903.db2.gz AILRGAJGAVDFKS-UHFFFAOYSA-N -1 3 381.432 3.880 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000774905487 913996159 /nfs/dbraw/zinc/99/61/59/913996159.db2.gz OONNMUXVGOTKRA-GZKZCVOOSA-N -1 3 379.865 3.535 20 0 GHADHM COc1cc(Cl)ccc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826179694 895814742 /nfs/dbraw/zinc/81/47/42/895814742.db2.gz ACPOHUAPWNBLGS-HNNXBMFYSA-N -1 3 397.788 3.922 20 0 GHADHM COc1cc(Cl)ccc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826179694 895814752 /nfs/dbraw/zinc/81/47/52/895814752.db2.gz ACPOHUAPWNBLGS-HNNXBMFYSA-N -1 3 397.788 3.922 20 0 GHADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(N)cc1[O-] ZINC000817952376 895976563 /nfs/dbraw/zinc/97/65/63/895976563.db2.gz KHTBCXHGMMEEDK-UHFFFAOYSA-N -1 3 375.266 3.541 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc(C)c(C)[nH]3)nc(=O)c2c1C ZINC000566314358 896233136 /nfs/dbraw/zinc/23/31/36/896233136.db2.gz OMGSCFBRSQONLT-SNVBAGLBSA-N -1 3 392.506 3.663 20 0 GHADHM COc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1C ZINC000826204049 896247677 /nfs/dbraw/zinc/24/76/77/896247677.db2.gz UUNNPBCKMITLFW-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1C ZINC000826204049 896247691 /nfs/dbraw/zinc/24/76/91/896247691.db2.gz UUNNPBCKMITLFW-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM C[C@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000566366657 896259989 /nfs/dbraw/zinc/25/99/89/896259989.db2.gz HGCYIRMJCNDFJG-PVUWLOKVSA-N -1 3 382.298 3.712 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Br)CC(F)F ZINC000645794501 914068445 /nfs/dbraw/zinc/06/84/45/914068445.db2.gz HTKADECVPZQZEP-SSDOTTSWSA-N -1 3 376.650 3.672 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(F)F ZINC000645794761 914068516 /nfs/dbraw/zinc/06/85/16/914068516.db2.gz WXJTYRGTIZCYBY-SSDOTTSWSA-N -1 3 381.750 3.808 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccnc(N3CCCCCC3)c2)c1-c1nnn[n-]1 ZINC000826240137 896593686 /nfs/dbraw/zinc/59/36/86/896593686.db2.gz DUKFUDBNIVKDOC-UHFFFAOYSA-N -1 3 398.902 3.611 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccnc(N3CCCCCC3)c2)c1-c1nn[n-]n1 ZINC000826240137 896593696 /nfs/dbraw/zinc/59/36/96/896593696.db2.gz DUKFUDBNIVKDOC-UHFFFAOYSA-N -1 3 398.902 3.611 20 0 GHADHM O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccc(Br)cc1[O-] ZINC001136220124 896714164 /nfs/dbraw/zinc/71/41/64/896714164.db2.gz QIJYSEYISXRHBJ-UHFFFAOYSA-N -1 3 396.138 3.865 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCCc2ccncc2)n1 ZINC000826262674 896750035 /nfs/dbraw/zinc/75/00/35/896750035.db2.gz VGAZXYRPTWETGB-UHFFFAOYSA-N -1 3 380.399 3.709 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000826272242 896823861 /nfs/dbraw/zinc/82/38/61/896823861.db2.gz ZYTLTTCCMYRXCK-GXTWGEPZSA-N -1 3 378.436 3.737 20 0 GHADHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185835975 914111179 /nfs/dbraw/zinc/11/11/79/914111179.db2.gz AJRMRXFVMBFDHO-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@H](C4CCOCC4)C3)nc2)n1 ZINC000883010974 897201359 /nfs/dbraw/zinc/20/13/59/897201359.db2.gz GSIIAKRRWKZECY-SFHVURJKSA-N -1 3 382.508 3.840 20 0 GHADHM CCCc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC001136328980 897277105 /nfs/dbraw/zinc/27/71/05/897277105.db2.gz IVRSXOHZAAGRHH-UHFFFAOYSA-N -1 3 376.478 3.662 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000820794040 897554311 /nfs/dbraw/zinc/55/43/11/897554311.db2.gz NRJNDRBZQGYHOH-RHSMWYFYSA-N -1 3 388.514 3.601 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cnc(Cl)cc3Cl)c3cccc1c23 ZINC000820799477 897556423 /nfs/dbraw/zinc/55/64/23/897556423.db2.gz RSLVIAOWGNAUTA-UHFFFAOYSA-N -1 3 394.239 3.908 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826322844 897608171 /nfs/dbraw/zinc/60/81/71/897608171.db2.gz DKSOKSAWZDXUMF-JTQLQIEISA-N -1 3 398.423 3.684 20 0 GHADHM Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826322844 897608180 /nfs/dbraw/zinc/60/81/80/897608180.db2.gz DKSOKSAWZDXUMF-JTQLQIEISA-N -1 3 398.423 3.684 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000826322583 897608351 /nfs/dbraw/zinc/60/83/51/897608351.db2.gz SMNQNZTYRYFGKW-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000826322583 897608359 /nfs/dbraw/zinc/60/83/59/897608359.db2.gz SMNQNZTYRYFGKW-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821002213 897662842 /nfs/dbraw/zinc/66/28/42/897662842.db2.gz VAKKBSXCZKPYSN-MLGOLLRUSA-N -1 3 382.493 3.708 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821002213 897662846 /nfs/dbraw/zinc/66/28/46/897662846.db2.gz VAKKBSXCZKPYSN-MLGOLLRUSA-N -1 3 382.493 3.708 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000821119126 897721961 /nfs/dbraw/zinc/72/19/61/897721961.db2.gz VHIMDGNWVYBPSE-AWEZNQCLSA-N -1 3 394.479 3.830 20 0 GHADHM COCCn1c2ccccc2nc1-c1ccc(OC)c([O-])c1Br ZINC000568454742 897851227 /nfs/dbraw/zinc/85/12/27/897851227.db2.gz CCXGJOCBQZIVJH-UHFFFAOYSA-N -1 3 377.238 3.826 20 0 GHADHM Cc1scc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1C ZINC000826350023 897916438 /nfs/dbraw/zinc/91/64/38/897916438.db2.gz FGQIVYJDAPIVRB-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000568545967 897925172 /nfs/dbraw/zinc/92/51/72/897925172.db2.gz FMEJMDQDVRRESR-UHFFFAOYSA-N -1 3 384.361 3.550 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(C)ccc1F ZINC001170974828 898202136 /nfs/dbraw/zinc/20/21/36/898202136.db2.gz RAGBWXXYJMRVID-UHFFFAOYSA-N -1 3 382.395 3.679 20 0 GHADHM Cc1c(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cccc1-c1nnn[n-]1 ZINC000822109647 898225759 /nfs/dbraw/zinc/22/57/59/898225759.db2.gz SLYTWFUKLMRHIM-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM Cc1c(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cccc1-c1nn[n-]n1 ZINC000822109647 898225773 /nfs/dbraw/zinc/22/57/73/898225773.db2.gz SLYTWFUKLMRHIM-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM FC(F)(F)c1cc(SCc2nc(-c3ccco3)no2)ccc1-c1nnn[n-]1 ZINC000826368512 898239948 /nfs/dbraw/zinc/23/99/48/898239948.db2.gz RYNVJWXBAMSZJF-UHFFFAOYSA-N -1 3 394.338 3.821 20 0 GHADHM FC(F)(F)c1cc(SCc2nc(-c3ccco3)no2)ccc1-c1nn[n-]n1 ZINC000826368512 898239980 /nfs/dbraw/zinc/23/99/80/898239980.db2.gz RYNVJWXBAMSZJF-UHFFFAOYSA-N -1 3 394.338 3.821 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)[C@H](C)CO2)c1 ZINC000822232169 898260863 /nfs/dbraw/zinc/26/08/63/898260863.db2.gz VSYXPDWHFCHNAC-FOIQADDNSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1cccc(NC2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)c1 ZINC000822323506 898300894 /nfs/dbraw/zinc/30/08/94/898300894.db2.gz JDPSMMWZRICJIT-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM Cc1cccc(NC2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)c1 ZINC000822323506 898300910 /nfs/dbraw/zinc/30/09/10/898300910.db2.gz JDPSMMWZRICJIT-UHFFFAOYSA-N -1 3 385.475 3.804 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ncccc1[O-] ZINC000822543927 898462011 /nfs/dbraw/zinc/46/20/11/898462011.db2.gz PMJMWXWDAQWJHJ-INIZCTEOSA-N -1 3 398.463 3.621 20 0 GHADHM Cc1cccc2[nH]cc(CCNC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)c21 ZINC001136641701 898686231 /nfs/dbraw/zinc/68/62/31/898686231.db2.gz ULIANRMYVNKRGZ-UHFFFAOYSA-N -1 3 381.382 3.569 20 0 GHADHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000569587575 898811514 /nfs/dbraw/zinc/81/15/14/898811514.db2.gz KIXCULYEYACPBH-OAHLLOKOSA-N -1 3 379.243 3.624 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000823103967 898826767 /nfs/dbraw/zinc/82/67/67/898826767.db2.gz PFJHKSSCIJZPNP-UHFFFAOYSA-N -1 3 396.410 3.856 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000823103967 898826782 /nfs/dbraw/zinc/82/67/82/898826782.db2.gz PFJHKSSCIJZPNP-UHFFFAOYSA-N -1 3 396.410 3.856 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@@H]1CCCS1 ZINC000823356825 898980798 /nfs/dbraw/zinc/98/07/98/898980798.db2.gz OTJGXZJWXLKGFL-INIZCTEOSA-N -1 3 385.424 3.632 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@@H]1CCCS1 ZINC000823356825 898980800 /nfs/dbraw/zinc/98/08/00/898980800.db2.gz OTJGXZJWXLKGFL-INIZCTEOSA-N -1 3 385.424 3.632 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](OCC2CCCC2)c2ccccc2)n1 ZINC000823777007 899245223 /nfs/dbraw/zinc/24/52/23/899245223.db2.gz MYGBBFNFUFZXNB-LJQANCHMSA-N -1 3 383.492 3.790 20 0 GHADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000570311954 899257122 /nfs/dbraw/zinc/25/71/22/899257122.db2.gz WVIFIKKDUBXAII-UHFFFAOYSA-N -1 3 394.802 3.704 20 0 GHADHM Brc1ccc(NCc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000823832518 899271345 /nfs/dbraw/zinc/27/13/45/899271345.db2.gz PUPGNIWMOUKLNK-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1ccc(NCc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000823832518 899271356 /nfs/dbraw/zinc/27/13/56/899271356.db2.gz PUPGNIWMOUKLNK-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM COc1ccc(Oc2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cn2)cc1 ZINC001136836000 899450679 /nfs/dbraw/zinc/45/06/79/899450679.db2.gz NJLKLSKUTQFVIJ-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM COc1ccc(Oc2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cn2)cc1 ZINC001136836000 899450687 /nfs/dbraw/zinc/45/06/87/899450687.db2.gz NJLKLSKUTQFVIJ-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1cc(Cl)ccc1OC1CCCC1 ZINC000570734078 899544657 /nfs/dbraw/zinc/54/46/57/899544657.db2.gz VRGSNRPOMJMBDM-UHFFFAOYSA-N -1 3 384.661 3.821 20 0 GHADHM COc1cc(C(=O)N(C)Cc2csc(Br)c2)cc(OC)c1[O-] ZINC000119187220 899555551 /nfs/dbraw/zinc/55/55/51/899555551.db2.gz XIQQBAHZJDDRGY-UHFFFAOYSA-N -1 3 386.267 3.506 20 0 GHADHM C[C@@H](CCCc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824402431 899591065 /nfs/dbraw/zinc/59/10/65/899591065.db2.gz WMTOOSRKAHVMIJ-INIZCTEOSA-N -1 3 375.476 3.631 20 0 GHADHM C[C@@H](CCCc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824402431 899591072 /nfs/dbraw/zinc/59/10/72/899591072.db2.gz WMTOOSRKAHVMIJ-INIZCTEOSA-N -1 3 375.476 3.631 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N(C1CCC1)C1CCC1 ZINC000570788257 899592000 /nfs/dbraw/zinc/59/20/00/899592000.db2.gz RHOBLCWNXZIGPM-UHFFFAOYSA-N -1 3 391.468 3.502 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824521838 899656724 /nfs/dbraw/zinc/65/67/24/899656724.db2.gz NJNSOFMIFBQUJQ-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824521838 899656729 /nfs/dbraw/zinc/65/67/29/899656729.db2.gz NJNSOFMIFBQUJQ-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1)c1ccncc1 ZINC000826400620 899767134 /nfs/dbraw/zinc/76/71/34/899767134.db2.gz CPODLNKHTBTTDB-KHPPLWFESA-N -1 3 382.427 3.508 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1)c1ccncc1 ZINC000826400620 899767144 /nfs/dbraw/zinc/76/71/44/899767144.db2.gz CPODLNKHTBTTDB-KHPPLWFESA-N -1 3 382.427 3.508 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824770111 899797053 /nfs/dbraw/zinc/79/70/53/899797053.db2.gz DZYSOYYHMLWELZ-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824770111 899797061 /nfs/dbraw/zinc/79/70/61/899797061.db2.gz DZYSOYYHMLWELZ-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332712788 899864259 /nfs/dbraw/zinc/86/42/59/899864259.db2.gz VJRYIODFDQLHJN-HZMBPMFUSA-N -1 3 396.260 3.544 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938070 899898606 /nfs/dbraw/zinc/89/86/06/899898606.db2.gz SHNMLUQRZCSMEM-WCQYABFASA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938070 899898615 /nfs/dbraw/zinc/89/86/15/899898615.db2.gz SHNMLUQRZCSMEM-WCQYABFASA-N -1 3 379.917 3.649 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000333030259 899903493 /nfs/dbraw/zinc/90/34/93/899903493.db2.gz HJGJCAVUZSRRJF-OPAMFIHVSA-N -1 3 383.444 3.595 20 0 GHADHM CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075880 899965348 /nfs/dbraw/zinc/96/53/48/899965348.db2.gz SDXRVOZXWQTEPX-GJZGRUSLSA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075880 899965354 /nfs/dbraw/zinc/96/53/54/899965354.db2.gz SDXRVOZXWQTEPX-GJZGRUSLSA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825195750 900040007 /nfs/dbraw/zinc/04/00/07/900040007.db2.gz YNAPOTQROQXVRE-NWDGAFQWSA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825195750 900040018 /nfs/dbraw/zinc/04/00/18/900040018.db2.gz YNAPOTQROQXVRE-NWDGAFQWSA-N -1 3 379.917 3.792 20 0 GHADHM CCCCOCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291414 900074254 /nfs/dbraw/zinc/07/42/54/900074254.db2.gz RHPLDBTUOMABOB-OAHLLOKOSA-N -1 3 379.464 3.528 20 0 GHADHM CCCCOCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 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GHADHM COc1ccc([C@H]2CCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)cc1F ZINC000629722542 906986321 /nfs/dbraw/zinc/98/63/21/906986321.db2.gz LAZWYORNTYINCJ-AWEZNQCLSA-N -1 3 387.455 3.566 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)CCCc2ccccc2Cl)[n-]1 ZINC000181443001 907001678 /nfs/dbraw/zinc/00/16/78/907001678.db2.gz AUMPEYNNKVILIF-DEOSSOPVSA-N -1 3 378.803 3.736 20 0 GHADHM O=C([O-])c1cnc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000630457104 907290924 /nfs/dbraw/zinc/29/09/24/907290924.db2.gz WUFUAMDMCFIYIV-UHFFFAOYSA-N -1 3 385.411 3.572 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC000630472625 907299812 /nfs/dbraw/zinc/29/98/12/907299812.db2.gz MORGVBWLHYCCCR-AWEZNQCLSA-N -1 3 394.878 3.821 20 0 GHADHM CCOc1cc(C)c(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(C)c1 ZINC001175174311 907418523 /nfs/dbraw/zinc/41/85/23/907418523.db2.gz VQWYLGMLJGWSEU-UHFFFAOYSA-N -1 3 375.469 3.883 20 0 GHADHM [O-]c1ccc(F)c(Nc2cc(CO)ccc2I)c1F ZINC001175270530 907481843 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Cc1nc(-c2ccc(NC(=O)N[C@@H](C3CCC3)[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000631513533 907738992 /nfs/dbraw/zinc/73/89/92/907738992.db2.gz UBYWGHOXAVPDSH-QUCCMNQESA-N -1 3 382.464 3.627 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)c1 ZINC001176235958 907999106 /nfs/dbraw/zinc/99/91/06/907999106.db2.gz WXJNBBMNDZGLJY-UHFFFAOYSA-N -1 3 388.508 3.960 20 0 GHADHM O=C([O-])C[C@@H](c1ccccc1)C1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000901597280 921385241 /nfs/dbraw/zinc/38/52/41/921385241.db2.gz CQXHPMHGEGFLDX-QFIPXVFZSA-N -1 3 390.487 3.738 20 0 GHADHM CCN(Cc1cccs1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299528354 921413583 /nfs/dbraw/zinc/41/35/83/921413583.db2.gz QVHDWHMJRJISLR-UHFFFAOYSA-N -1 3 382.489 3.595 20 0 GHADHM COC(=O)c1cc(Oc2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2)ccn1 ZINC001177949545 908835252 /nfs/dbraw/zinc/83/52/52/908835252.db2.gz UOQKUWDQYNOTCB-UHFFFAOYSA-N -1 3 396.374 3.686 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C(F)(F)F)cnc3Cl)nc21 ZINC000779820969 908884936 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399.401 3.503 20 0 GHADHM COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1O ZINC001179671545 909660351 /nfs/dbraw/zinc/66/03/51/909660351.db2.gz FXGJRLZEDKGQCS-UXBLZVDNSA-N -1 3 385.416 3.714 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C2CCC1CC2 ZINC000637499031 909833398 /nfs/dbraw/zinc/83/33/98/909833398.db2.gz XTJQKMIHORASKU-UHFFFAOYSA-N -1 3 388.464 3.702 20 0 GHADHM Cn1c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1-c1ccc(F)cc1 ZINC001180221842 910021731 /nfs/dbraw/zinc/02/17/31/910021731.db2.gz MLZUMEWRQGQFKK-JCNLHEQBSA-N -1 3 394.450 3.783 20 0 GHADHM O=C(OCc1cccc(Br)n1)c1cccc(Br)c1[O-] ZINC000795408509 910243228 /nfs/dbraw/zinc/24/32/28/910243228.db2.gz ZSAPSTQROJQMRU-UHFFFAOYSA-N -1 3 387.027 3.669 20 0 GHADHM CCCCN(CC(F)(F)F)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000299669061 921566745 /nfs/dbraw/zinc/56/67/45/921566745.db2.gz OVIHJMNRQFSLRO-UHFFFAOYSA-N -1 3 396.413 3.676 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)cc1)Nc1ncc(Br)[n-]c1=O ZINC001180942926 910447128 /nfs/dbraw/zinc/44/71/28/910447128.db2.gz KNONHKVWXTYWEK-UHFFFAOYSA-N -1 3 398.260 3.771 20 0 GHADHM O=C(CC1c2ccccc2-c2ccccc21)Nc1ncc(Br)[n-]c1=O ZINC001181308246 910701873 /nfs/dbraw/zinc/70/18/73/910701873.db2.gz HLMQCVPCOCHXQZ-UHFFFAOYSA-N -1 3 396.244 3.674 20 0 GHADHM O=c1[n-]c(CN2CCC(c3ccc(F)cn3)CC2)nc2c3ccccc3oc21 ZINC000639871889 910713159 /nfs/dbraw/zinc/71/31/59/910713159.db2.gz GZDRRUQKBQYDQT-UHFFFAOYSA-N -1 3 378.407 3.995 20 0 GHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@H]2CN(C3CC3)CCO2)no1 ZINC000273931296 911117218 /nfs/dbraw/zinc/11/72/18/911117218.db2.gz RHPBMLRAFLQPPL-HXUWFJFHSA-N -1 3 377.444 3.569 20 0 GHADHM Cc1nnc([C@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000283121450 911379270 /nfs/dbraw/zinc/37/92/70/911379270.db2.gz MZIIOFXSJLOPFX-JTQLQIEISA-N -1 3 380.901 3.617 20 0 GHADHM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NCc1nnn(-c2ccccc2)c1C1CC1 ZINC000901869886 921662506 /nfs/dbraw/zinc/66/25/06/921662506.db2.gz XFWQBFRBAZIHOV-GOSISDBHSA-N -1 3 396.878 3.584 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCc2cccc(OCc3ccccc3)c2)[n-]1 ZINC001182390095 911601425 /nfs/dbraw/zinc/60/14/25/911601425.db2.gz WHHAKFFMRRONQS-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCc2cccc(OCc3ccccc3)c2)c[n-]1 ZINC001182390095 911601435 /nfs/dbraw/zinc/60/14/35/911601435.db2.gz WHHAKFFMRRONQS-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000774292445 911634489 /nfs/dbraw/zinc/63/44/89/911634489.db2.gz MUORJZKRTMEJFI-NRFANRHFSA-N -1 3 385.423 3.566 20 0 GHADHM CC[C@H](CNC(=O)c1c([O-])cccc1O)Cc1cccc(Br)c1 ZINC001182768489 912038261 /nfs/dbraw/zinc/03/82/61/912038261.db2.gz ORHFNZLXKQCKSK-LBPRGKRZSA-N -1 3 378.266 3.859 20 0 GHADHM Cc1csc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000901897157 921714431 /nfs/dbraw/zinc/71/44/31/921714431.db2.gz NNMRNXWIMDLUNW-KGLIPLIRSA-N -1 3 381.295 3.514 20 0 GHADHM C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NCc1ncccc1[O-] ZINC001182924766 912109715 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3.538 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1F)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001187564241 915363685 /nfs/dbraw/zinc/36/36/85/915363685.db2.gz JQZTURQEAZCTBK-MRXNPFEDSA-N -1 3 377.334 3.812 20 0 GHADHM CC(C)Cc1cc(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)cc(=O)[nH]1 ZINC000647772028 915380690 /nfs/dbraw/zinc/38/06/90/915380690.db2.gz CXYAZKZBQMHXNR-UHFFFAOYSA-N -1 3 388.431 3.571 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1ccco1 ZINC001187667076 915425772 /nfs/dbraw/zinc/42/57/72/915425772.db2.gz NEYOFLYUJWXEGU-IBGZPJMESA-N -1 3 393.505 3.905 20 0 GHADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1csnc1-c1ccccc1 ZINC000647892596 915427681 /nfs/dbraw/zinc/42/76/81/915427681.db2.gz KUPGXPNBVBYVRC-UHFFFAOYSA-N -1 3 398.513 3.528 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1ccc(F)c(Cl)c1)OCC ZINC001187672113 915430324 /nfs/dbraw/zinc/43/03/24/915430324.db2.gz KZSNSUGPLOARLR-UHFFFAOYSA-N -1 3 398.822 3.560 20 0 GHADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2[n-]nnc2C(F)(F)F)c1 ZINC001187758841 915506771 /nfs/dbraw/zinc/50/67/71/915506771.db2.gz KIWSUVKILMEOBD-UHFFFAOYSA-N -1 3 392.385 3.867 20 0 GHADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2nn[n-]c2C(F)(F)F)c1 ZINC001187758841 915506780 /nfs/dbraw/zinc/50/67/80/915506780.db2.gz KIWSUVKILMEOBD-UHFFFAOYSA-N -1 3 392.385 3.867 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccccc1Cl ZINC001187975788 915656991 /nfs/dbraw/zinc/65/69/91/915656991.db2.gz WRJJVFKGMKOLPO-OAHLLOKOSA-N -1 3 375.824 3.593 20 0 GHADHM Cc1ccc([C@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C2CC2)cc1 ZINC000292440882 915683612 /nfs/dbraw/zinc/68/36/12/915683612.db2.gz NXVQBKUWBDHNHR-YOEHRIQHSA-N -1 3 397.441 3.546 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000648432034 915699317 /nfs/dbraw/zinc/69/93/17/915699317.db2.gz NGMZDEHJIPNWKU-HTQZYQBOSA-N -1 3 397.706 3.680 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1OC)c1ccco1 ZINC001188033705 915725391 /nfs/dbraw/zinc/72/53/91/915725391.db2.gz CVAFWRBGIDUVMN-IBGZPJMESA-N -1 3 391.420 3.504 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188097497 915754095 /nfs/dbraw/zinc/75/40/95/915754095.db2.gz MAPHURGJQHNJOU-DGCLKSJQSA-N -1 3 377.680 3.876 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)c(F)c1 ZINC001188345654 915901904 /nfs/dbraw/zinc/90/19/04/915901904.db2.gz UCFQRSNMEBPGAO-UHFFFAOYSA-N -1 3 385.501 3.887 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1F)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188447679 915972573 /nfs/dbraw/zinc/97/25/73/915972573.db2.gz IIYZJOXQWJQPEZ-UHFFFAOYSA-N -1 3 375.396 3.925 20 0 GHADHM Cc1nsc(C)c1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000293073146 915987069 /nfs/dbraw/zinc/98/70/69/915987069.db2.gz QXIQOAXTHOIENP-VIFPVBQESA-N -1 3 398.897 3.503 20 0 GHADHM CC[C@@H](C)N1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686775 916003829 /nfs/dbraw/zinc/00/38/29/916003829.db2.gz PNIXBOCPIVFJHS-CQSZACIVSA-N -1 3 378.900 3.689 20 0 GHADHM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000649084283 916014713 /nfs/dbraw/zinc/01/47/13/916014713.db2.gz LBAWKYUBUDEDRZ-SZNDQCEHSA-N -1 3 375.415 3.982 20 0 GHADHM O=S(=O)([N-]c1cccc(CO)c1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188742030 916171317 /nfs/dbraw/zinc/17/13/17/916171317.db2.gz IIJQSPVRTGBCTE-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000293505093 916235438 /nfs/dbraw/zinc/23/54/38/916235438.db2.gz AEXIDBWKUYMGGZ-GFCCVEGCSA-N -1 3 384.448 3.500 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(CNCc3cccc([O-])c3Cl)cc2)C[C@H](C)O1 ZINC000293603790 916287832 /nfs/dbraw/zinc/28/78/32/916287832.db2.gz PDVVCZQBSZPQGF-GJZGRUSLSA-N -1 3 388.895 3.585 20 0 GHADHM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000775208659 916293970 /nfs/dbraw/zinc/29/39/70/916293970.db2.gz BWUCMJDSCXJSSI-INIZCTEOSA-N -1 3 377.428 3.925 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CC2CC2)cc1C(F)(F)F ZINC001188977208 916313529 /nfs/dbraw/zinc/31/35/29/916313529.db2.gz MAYNPFMVRFRZBP-UHFFFAOYSA-N -1 3 379.400 3.812 20 0 GHADHM O=c1[n-]c(SCCc2ccncc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000649724043 916359834 /nfs/dbraw/zinc/35/98/34/916359834.db2.gz RCYLQYMYMHUHDD-UHFFFAOYSA-N -1 3 383.864 3.904 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccc2F)c1 ZINC001189240093 916487184 /nfs/dbraw/zinc/48/71/84/916487184.db2.gz ZCFXQMILFVWNKN-UHFFFAOYSA-N -1 3 393.436 3.784 20 0 GHADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC001189290632 916514184 /nfs/dbraw/zinc/51/41/84/916514184.db2.gz WGSFCNJWLGOHPT-UHFFFAOYSA-N -1 3 398.834 3.624 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC001189263907 916524282 /nfs/dbraw/zinc/52/42/82/916524282.db2.gz IPAUMMZUIQIOKS-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM CC1(C)CC(=O)Nc2c([N-]S(=O)(=O)Cc3ccc(F)c(F)c3)cccc21 ZINC001189318551 916549831 /nfs/dbraw/zinc/54/98/31/916549831.db2.gz FWRVBHIKDVSGNF-UHFFFAOYSA-N -1 3 380.416 3.527 20 0 GHADHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC001189413249 916618235 /nfs/dbraw/zinc/61/82/35/916618235.db2.gz ROQXOYPTVYOVNC-LBPRGKRZSA-N -1 3 395.349 3.598 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCC(C)(C)CC ZINC001189440630 916647722 /nfs/dbraw/zinc/64/77/22/916647722.db2.gz CSYWVILBLLDZDR-MRXNPFEDSA-N -1 3 389.945 3.560 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccc(F)c(Br)c1F ZINC001189455142 916661044 /nfs/dbraw/zinc/66/10/44/916661044.db2.gz AFQWHZAGCFFYNU-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(C(C)C)cc32)s1 ZINC001189508165 916689795 /nfs/dbraw/zinc/68/97/95/916689795.db2.gz PDCLTRYCZCQNPH-HNNXBMFYSA-N -1 3 379.503 3.624 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cccc(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC001189480615 916702078 /nfs/dbraw/zinc/70/20/78/916702078.db2.gz WDGLQKGCQRXCKK-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc(F)c1Br ZINC001189688271 916807973 /nfs/dbraw/zinc/80/79/73/916807973.db2.gz AIQIIWYLUVDCIJ-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1CC[C@@H]1COCc1ccccc1 ZINC001189763229 916898310 /nfs/dbraw/zinc/89/83/10/916898310.db2.gz RDRLDLDSCRKZKE-CQSZACIVSA-N -1 3 381.350 3.722 20 0 GHADHM COC(=O)c1c[nH]c2ccc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cc21 ZINC001189766433 916901732 /nfs/dbraw/zinc/90/17/32/916901732.db2.gz IVKLIOVGXBLRJR-UHFFFAOYSA-N -1 3 394.305 3.811 20 0 GHADHM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189825135 916948490 /nfs/dbraw/zinc/94/84/90/916948490.db2.gz XXXQQNKVNXKAAU-UHFFFAOYSA-N -1 3 387.379 3.531 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000650505831 917042215 /nfs/dbraw/zinc/04/22/15/917042215.db2.gz RNPRWQCULKSAHD-UXHICEINSA-N -1 3 386.536 3.977 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)c(Cl)ccc32)s1 ZINC001190023190 917053037 /nfs/dbraw/zinc/05/30/37/917053037.db2.gz DNZFPCTYXBTECU-JTQLQIEISA-N -1 3 393.317 3.814 20 0 GHADHM O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001190097932 917093401 /nfs/dbraw/zinc/09/34/01/917093401.db2.gz DJIHPGIKTJSYNH-UHFFFAOYSA-N -1 3 379.203 3.670 20 0 GHADHM COc1cc([O-])c(C(=O)NC/C(=C/F)CCc2ccc(F)cc2)c(OC)c1 ZINC001190143902 917126185 /nfs/dbraw/zinc/12/61/85/917126185.db2.gz HGSKQDTVPOPRNJ-SDNWHVSQSA-N -1 3 377.387 3.765 20 0 GHADHM COc1cc([O-])c(C(=O)N[C@H](C)Cc2ccccc2Br)c(OC)c1 ZINC001190144797 917126338 /nfs/dbraw/zinc/12/63/38/917126338.db2.gz YMRKRDZSPJWISB-LLVKDONJSA-N -1 3 394.265 3.533 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(C)C)c(Br)c1 ZINC001190364103 917255326 /nfs/dbraw/zinc/25/53/26/917255326.db2.gz MBXXEQCLSRQAQL-QWRGUYRKSA-N -1 3 380.735 3.981 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)nnn1C(C)C ZINC000295418238 917308251 /nfs/dbraw/zinc/30/82/51/917308251.db2.gz SCQHDZLVVRTIJC-HNNXBMFYSA-N -1 3 382.493 3.739 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCCCC2)nc1 ZINC001190414378 917322200 /nfs/dbraw/zinc/32/22/00/917322200.db2.gz FTULLROYAAJOGP-UHFFFAOYSA-N -1 3 376.254 3.792 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(OC(F)(F)F)ccc1F ZINC001190670610 917459295 /nfs/dbraw/zinc/45/92/95/917459295.db2.gz OEEYYIUMYJYXSM-UHFFFAOYSA-N -1 3 391.248 3.608 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1ccc(C(F)(F)F)cc1F ZINC001190637871 917467804 /nfs/dbraw/zinc/46/78/04/917467804.db2.gz PHSKFKWBTGNZQM-SNVBAGLBSA-N -1 3 375.334 3.948 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(Br)n1 ZINC001190687918 917515836 /nfs/dbraw/zinc/51/58/36/917515836.db2.gz PJXBJJCXWIAJMC-LSDHHAIUSA-N -1 3 395.322 3.706 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001190744790 917541171 /nfs/dbraw/zinc/54/11/71/917541171.db2.gz XYGHCHYEEBRQHS-UHFFFAOYSA-N -1 3 380.282 3.584 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001190744450 917541700 /nfs/dbraw/zinc/54/17/00/917541700.db2.gz UKHMLQYZGZGJBH-UHFFFAOYSA-N -1 3 388.273 3.861 20 0 GHADHM O=C(Nc1cc(=O)[n-]c(=S)[nH]1)Nc1cc(Br)ccc1Cl ZINC001190851519 917600916 /nfs/dbraw/zinc/60/09/16/917600916.db2.gz DHVIONIOHQAZAJ-UHFFFAOYSA-N -1 3 375.635 3.531 20 0 GHADHM O=C(N[C@]1(c2ccccc2Cl)CCCCC1=O)c1ccc(=O)[n-]c1Cl ZINC001190918937 917663380 /nfs/dbraw/zinc/66/33/80/917663380.db2.gz ZQPPPZAKWNYJFU-SFHVURJKSA-N -1 3 379.243 3.862 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)c1 ZINC001191104518 917758515 /nfs/dbraw/zinc/75/85/15/917758515.db2.gz TYIVXUFLSXMMHH-LLVKDONJSA-N -1 3 385.844 3.695 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)cnc2Cl)c1 ZINC001191280323 917891878 /nfs/dbraw/zinc/89/18/78/917891878.db2.gz LIHLHHWMFBDRKX-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C([O-])c1cccc(Br)c1CN1CCC(C2CCOCC2)CC1 ZINC000652429029 917897858 /nfs/dbraw/zinc/89/78/58/917897858.db2.gz SKTVUGSSBFMRCC-UHFFFAOYSA-N -1 3 382.298 3.786 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(F)c1 ZINC001191327232 917935585 /nfs/dbraw/zinc/93/55/85/917935585.db2.gz MIDORONQIYBCSD-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-][C@H](CF)c1ccccc1)c1ccc(F)cc1Br ZINC001191383113 917944675 /nfs/dbraw/zinc/94/46/75/917944675.db2.gz GDJAWDBOPZQQSQ-CYBMUJFWSA-N -1 3 376.222 3.577 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Cl)c1ccc(F)cc1Br ZINC001191370448 917972704 /nfs/dbraw/zinc/97/27/04/917972704.db2.gz YNWCSLPQXGMDON-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000652846470 918026958 /nfs/dbraw/zinc/02/69/58/918026958.db2.gz ODTNWLLTZYELRZ-SMDDNHRTSA-N -1 3 375.856 3.647 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CSc2ccccc2O1)c1ccc(Cl)cc1F ZINC001191720696 918141612 /nfs/dbraw/zinc/14/16/12/918141612.db2.gz QTAHWFBCJDJDJV-GFCCVEGCSA-N -1 3 387.885 3.701 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)CC(C)C)c1 ZINC000296390701 918221019 /nfs/dbraw/zinc/22/10/19/918221019.db2.gz WQFHOQPULLBAEO-NRFANRHFSA-N -1 3 385.464 3.982 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccnc(Oc2ccccc2)c1 ZINC001191793919 918224719 /nfs/dbraw/zinc/22/47/19/918224719.db2.gz HOMGWMJVLCEUMT-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cc1sc(CCNCc2cccc(Cl)c2Br)nc1C(=O)[O-] ZINC000900058780 919783931 /nfs/dbraw/zinc/78/39/31/919783931.db2.gz FBNOKMDNWPSVTA-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM COc1cc(Cl)c(CNCCc2nc(C(=O)[O-])c(C)s2)cc1Cl ZINC000900059536 919784895 /nfs/dbraw/zinc/78/48/95/919784895.db2.gz OEPJMWLTJMYFFW-UHFFFAOYSA-N -1 3 375.277 3.797 20 0 GHADHM Cc1sc(CCNCc2c(F)cccc2OC(F)(F)F)nc1C(=O)[O-] ZINC000900060028 919785486 /nfs/dbraw/zinc/78/54/86/919785486.db2.gz WQOYVUAMZVBDSS-UHFFFAOYSA-N -1 3 378.347 3.520 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000800261446 919800741 /nfs/dbraw/zinc/80/07/41/919800741.db2.gz SWCFQYWKVANKNB-MRVPVSSYSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000800261446 919800750 /nfs/dbraw/zinc/80/07/50/919800750.db2.gz SWCFQYWKVANKNB-MRVPVSSYSA-N -1 3 387.758 3.718 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nc(-c2ccc(Cl)cc2)no1 ZINC000800261446 919800765 /nfs/dbraw/zinc/80/07/65/919800765.db2.gz SWCFQYWKVANKNB-MRVPVSSYSA-N -1 3 387.758 3.718 20 0 GHADHM Cc1cc(COC(=O)c2cc(F)cc3[n-]nnc32)nc(-c2ccc(Cl)cc2)n1 ZINC000800261799 919800867 /nfs/dbraw/zinc/80/08/67/919800867.db2.gz YEXOXJIEJSXOTC-UHFFFAOYSA-N -1 3 397.797 3.873 20 0 GHADHM Cc1cc(COC(=O)c2cc(F)cc3nn[n-]c32)nc(-c2ccc(Cl)cc2)n1 ZINC000800261799 919800879 /nfs/dbraw/zinc/80/08/79/919800879.db2.gz YEXOXJIEJSXOTC-UHFFFAOYSA-N -1 3 397.797 3.873 20 0 GHADHM Cc1cc(COC(=O)c2cc(F)cc3n[n-]nc32)nc(-c2ccc(Cl)cc2)n1 ZINC000800261799 919800885 /nfs/dbraw/zinc/80/08/85/919800885.db2.gz YEXOXJIEJSXOTC-UHFFFAOYSA-N -1 3 397.797 3.873 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000900285761 920126126 /nfs/dbraw/zinc/12/61/26/920126126.db2.gz BRMUJHQZOTXKQK-OAHLLOKOSA-N -1 3 388.265 3.799 20 0 GHADHM CCCN(C(=O)c1nnc2ccccc2c1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000800629576 920322379 /nfs/dbraw/zinc/32/23/79/920322379.db2.gz IDHFNZXPHSKNDK-OAHLLOKOSA-N -1 3 392.459 3.605 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCOC(C)C)cc2)cc1 ZINC000298276231 920362926 /nfs/dbraw/zinc/36/29/26/920362926.db2.gz HAHRGHKOCFGXSB-UHFFFAOYSA-N -1 3 376.478 3.549 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1F ZINC000900791944 920611580 /nfs/dbraw/zinc/61/15/80/920611580.db2.gz AKJNAVHPHITDKT-UHFFFAOYSA-N -1 3 383.379 3.647 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c(Cl)n1 ZINC000800931565 920616641 /nfs/dbraw/zinc/61/66/41/920616641.db2.gz ULCRYUQKFUXBQF-UHFFFAOYSA-N -1 3 379.913 3.830 20 0 GHADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900860796 920668464 /nfs/dbraw/zinc/66/84/64/920668464.db2.gz YSHCVJVFNFTUJV-UHFFFAOYSA-N -1 3 379.382 3.615 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000801447889 921033362 /nfs/dbraw/zinc/03/33/62/921033362.db2.gz NODGGGDOJFICER-NRFANRHFSA-N -1 3 376.497 3.893 20 0 GHADHM C[C@@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC1CC1 ZINC000298892545 921034762 /nfs/dbraw/zinc/03/47/62/921034762.db2.gz YDTYJCRIEJWRQR-SECBINFHSA-N -1 3 375.475 3.557 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(CC(=O)[O-])CC1 ZINC000901418735 921089362 /nfs/dbraw/zinc/08/93/62/921089362.db2.gz ASOGHEKUMNCNJN-UHFFFAOYSA-N -1 3 375.900 3.888 20 0 GHADHM FC(F)(F)c1nc(C[N-]c2nnc([C@H]3COc4ccccc4O3)o2)cs1 ZINC000902043457 921832165 /nfs/dbraw/zinc/83/21/65/921832165.db2.gz ZAFFZNXWEJCSCS-LLVKDONJSA-N -1 3 384.339 3.670 20 0 GHADHM C[C@@H](C[C@@H]1CCOC1)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902900263 922587603 /nfs/dbraw/zinc/58/76/03/922587603.db2.gz DGRKYLYIYDNJCF-IUCAKERBSA-N -1 3 386.748 3.777 20 0 GHADHM O=C(O[C@@H]1CCc2cc(Cl)ccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803280493 922851037 /nfs/dbraw/zinc/85/10/37/922851037.db2.gz YZLQWEVLJUVXCK-IEBWSBKVSA-N -1 3 385.847 3.881 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c(Br)c1 ZINC000903620240 923130552 /nfs/dbraw/zinc/13/05/52/923130552.db2.gz JBDYLJIPWOIBGS-UHFFFAOYSA-N -1 3 384.299 3.788 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000903631335 923140398 /nfs/dbraw/zinc/14/03/98/923140398.db2.gz MRJJGPJBFPPIAK-MLGOLLRUSA-N -1 3 395.322 3.986 20 0 GHADHM Cc1csc(C[C@@H]2CCN(Cc3cc(C(=O)[O-])ccc3Br)C2)n1 ZINC000903936875 923412076 /nfs/dbraw/zinc/41/20/76/923412076.db2.gz YDRKMRZTKVLXTG-LBPRGKRZSA-N -1 3 395.322 3.977 20 0 GHADHM O=C([O-])c1cccc(Br)c1CN1CC[C@H](Cc2nccs2)C1 ZINC000903957391 923437932 /nfs/dbraw/zinc/43/79/32/923437932.db2.gz NGMVWTKYJUDXIY-LLVKDONJSA-N -1 3 381.295 3.668 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369743617 923592090 /nfs/dbraw/zinc/59/20/90/923592090.db2.gz NBOYMISURABKAS-LLVKDONJSA-N -1 3 394.818 3.723 20 0 GHADHM COc1ccc(-c2nnc(COC(=O)c3cc(F)cc(Cl)c3[O-])o2)cc1 ZINC000748480217 923665966 /nfs/dbraw/zinc/66/59/66/923665966.db2.gz WKTGXVKJPTWCGX-UHFFFAOYSA-N -1 3 378.743 3.600 20 0 GHADHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748642356 923769444 /nfs/dbraw/zinc/76/94/44/923769444.db2.gz FALYMYSASUYQFI-INIZCTEOSA-N -1 3 386.517 3.591 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749162624 924056437 /nfs/dbraw/zinc/05/64/37/924056437.db2.gz NTIATZLNCLMJJD-UHFFFAOYSA-N -1 3 376.869 3.845 20 0 GHADHM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1c[n-]c2ccccc2c1=O ZINC000371306659 924517161 /nfs/dbraw/zinc/51/71/61/924517161.db2.gz WYSJWYCOTTXHCF-UHFFFAOYSA-N -1 3 388.452 3.757 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000678314132 924720781 /nfs/dbraw/zinc/72/07/81/924720781.db2.gz PVUILEYSQUENGJ-SCLBCKFNSA-N -1 3 379.378 3.775 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000678343302 924734471 /nfs/dbraw/zinc/73/44/71/924734471.db2.gz QBQNYMYATCJIDZ-UHFFFAOYSA-N -1 3 387.233 3.540 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC001137387173 925256390 /nfs/dbraw/zinc/25/63/90/925256390.db2.gz YLUFLPBSBNBZEA-QFYYESIMSA-N -1 3 387.785 3.818 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccccc3NC(=O)c3ccccn3)no2)c1 ZINC000680739016 925586567 /nfs/dbraw/zinc/58/65/67/925586567.db2.gz JBYJWQHHADIXBT-UHFFFAOYSA-N -1 3 388.383 3.765 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c(C)c1 ZINC000410412451 925626471 /nfs/dbraw/zinc/62/64/71/925626471.db2.gz BSHGMOGQYPJODE-UHFFFAOYSA-N -1 3 385.489 3.903 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc(N2CCCCC2)n1 ZINC001137446285 925824549 /nfs/dbraw/zinc/82/45/49/925824549.db2.gz NOLWSLQCJCJBTK-UHFFFAOYSA-N -1 3 396.310 3.532 20 0 GHADHM CC1C[C@@H](C(=O)Nc2c([O-])cccc2F)[C@H](C(=O)Nc2c(O)cccc2F)C1 ZINC000681480813 925829597 /nfs/dbraw/zinc/82/95/97/925829597.db2.gz GQWXDXKLTNTGKX-VXGBXAGGSA-N -1 3 390.386 3.616 20 0 GHADHM O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)[N-]OC1CCCC1 ZINC000827834537 926060523 /nfs/dbraw/zinc/06/05/23/926060523.db2.gz OMKGIZFCRVHCNE-HNNXBMFYSA-N -1 3 388.386 3.614 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc4cccnc4s3)c2)n1 ZINC000373376655 926064507 /nfs/dbraw/zinc/06/45/07/926064507.db2.gz KAZCELGRMVELKO-UHFFFAOYSA-N -1 3 377.429 3.669 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000827914863 926265635 /nfs/dbraw/zinc/26/56/35/926265635.db2.gz IDCHNLBDAMIAAJ-BQFCYCMXSA-N -1 3 398.528 3.645 20 0 GHADHM CC(C)Oc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000726637463 926776669 /nfs/dbraw/zinc/77/66/69/926776669.db2.gz KCUAXHBEVIIZQE-IBGZPJMESA-N -1 3 383.444 3.527 20 0 GHADHM O=c1nc(CN2CCC(c3ccncn3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000411827094 926825022 /nfs/dbraw/zinc/82/50/22/926825022.db2.gz LIQDMRLJIPRZCF-UHFFFAOYSA-N -1 3 393.472 3.827 20 0 GHADHM CC(=O)c1ccc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000412254558 927263486 /nfs/dbraw/zinc/26/34/86/927263486.db2.gz NVNZQIWDXGKPIT-UHFFFAOYSA-N -1 3 396.270 3.926 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1[O-] ZINC000412253389 927264152 /nfs/dbraw/zinc/26/41/52/927264152.db2.gz IKQSKEWHONMWAW-SFHVURJKSA-N -1 3 377.799 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(-c4cccnc4)c3)nc2)n1 ZINC000375138805 927953189 /nfs/dbraw/zinc/95/31/89/927953189.db2.gz FNLHGBCCUMSFIB-UHFFFAOYSA-N -1 3 383.455 3.903 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(C)C)c1ccccc1 ZINC000750976748 927960202 /nfs/dbraw/zinc/96/02/02/927960202.db2.gz DOWPPBMXUFRTOF-CQSZACIVSA-N -1 3 396.896 3.587 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CCC(C)C)C(C)(C)C ZINC000751109655 928034018 /nfs/dbraw/zinc/03/40/18/928034018.db2.gz WQTFRNOQCMIMJE-CYBMUJFWSA-N -1 3 390.933 3.651 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc2ccccc2c1)c1cnc(Cl)c(Cl)c1 ZINC000751153665 928051323 /nfs/dbraw/zinc/05/13/23/928051323.db2.gz HOFNVEIGLUKIOV-MRXNPFEDSA-N -1 3 397.283 3.554 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1C(F)(F)F)c1cc(F)ccc1Cl ZINC000751263319 928100047 /nfs/dbraw/zinc/10/00/47/928100047.db2.gz NMGCFWOYGOLOMW-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CCc1cccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000751388238 928167405 /nfs/dbraw/zinc/16/74/05/928167405.db2.gz GLQOLNHCKXUVLA-CQSZACIVSA-N -1 3 376.497 3.720 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(F)ccc1Cl ZINC000751420728 928183705 /nfs/dbraw/zinc/18/37/05/928183705.db2.gz VGFAYKSOFJMCIK-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1c(F)cccc1Cl ZINC000751478999 928212556 /nfs/dbraw/zinc/21/25/56/928212556.db2.gz WFLSETPVXASRIT-ANRSDYALSA-N -1 3 396.242 3.672 20 0 GHADHM O=c1[n-]nc(C2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC2)o1 ZINC000413278342 928391995 /nfs/dbraw/zinc/39/19/95/928391995.db2.gz FJLVIUOIBZAKSW-UHFFFAOYSA-N -1 3 381.770 3.693 20 0 GHADHM O=C(COC(=O)Cc1csc2ccc(Cl)cc12)[N-]C(=O)c1cccs1 ZINC000751848332 928420430 /nfs/dbraw/zinc/42/04/30/928420430.db2.gz NUVAZBRXCGFKPK-UHFFFAOYSA-N -1 3 393.873 3.659 20 0 GHADHM CCc1ccc(CC)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000752149570 928640156 /nfs/dbraw/zinc/64/01/56/928640156.db2.gz KSBOLVOOPOMEFQ-UHFFFAOYSA-N -1 3 390.480 3.644 20 0 GHADHM O=c1[n-]c(CN2CCC(CCCn3ccnc3)CC2)nc2c3ccccc3oc21 ZINC000543989685 928653411 /nfs/dbraw/zinc/65/34/11/928653411.db2.gz VYAGSVVVLWEQBN-UHFFFAOYSA-N -1 3 391.475 3.971 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)ccc1C ZINC000467086777 928682081 /nfs/dbraw/zinc/68/20/81/928682081.db2.gz WGZQBTVEAUSKTB-UHFFFAOYSA-N -1 3 377.462 3.760 20 0 GHADHM COc1ccc(C[C@H](NC(=O)c2ccc(N)cc2[O-])c2ccc(OC)cc2)cc1 ZINC000752335612 928771771 /nfs/dbraw/zinc/77/17/71/928771771.db2.gz DXFSAFHJULFLJD-NRFANRHFSA-N -1 3 392.455 3.705 20 0 GHADHM O=S1(=O)[N-]C(CNC2(Cc3ccccc3)CCCCC2)=Nc2ccccc21 ZINC000467190369 928806024 /nfs/dbraw/zinc/80/60/24/928806024.db2.gz ISAYIOPJBFTNLB-UHFFFAOYSA-N -1 3 383.517 3.544 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000752816747 929036602 /nfs/dbraw/zinc/03/66/02/929036602.db2.gz OZMFRMLCSNKNHF-UHFFFAOYSA-N -1 3 376.412 3.809 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000752866748 929064086 /nfs/dbraw/zinc/06/40/86/929064086.db2.gz KPZDMWMJUMAUNR-NRFANRHFSA-N -1 3 385.460 3.813 20 0 GHADHM Cc1ccc([C@@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000753022768 929161535 /nfs/dbraw/zinc/16/15/35/929161535.db2.gz YKGAEYSRUHQLQR-JOCHJYFZSA-N -1 3 394.496 3.761 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467709098 929323408 /nfs/dbraw/zinc/32/34/08/929323408.db2.gz PQUNLYHJVIMSOH-UHFFFAOYSA-N -1 3 396.397 3.837 20 0 GHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000544673807 929423623 /nfs/dbraw/zinc/42/36/23/929423623.db2.gz OVVSWYMOTUQCRM-NSHDSACASA-N -1 3 379.532 3.657 20 0 GHADHM CCOC(=O)c1cc(C)cc(Br)c1[N-]S(=O)(=O)c1ccccc1 ZINC000545913816 929668653 /nfs/dbraw/zinc/66/86/53/929668653.db2.gz VJYFMIAZCBZELG-UHFFFAOYSA-N -1 3 398.278 3.735 20 0 GHADHM COCC[C@H]1CCCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000545928093 929686633 /nfs/dbraw/zinc/68/66/33/929686633.db2.gz WJTVHBVKELXSJJ-MRXNPFEDSA-N -1 3 384.480 3.828 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000757605786 929741511 /nfs/dbraw/zinc/74/15/11/929741511.db2.gz VGJILVKJGGHFHH-OAHLLOKOSA-N -1 3 385.464 3.900 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c1[O-] ZINC000757919414 929855109 /nfs/dbraw/zinc/85/51/09/929855109.db2.gz LTFRHASZIVZVJN-WBVHZDCISA-N -1 3 376.497 3.720 20 0 GHADHM CCOc1cc2c(cc1NC(=O)CCCc1ccc([O-])c(F)c1)OCCO2 ZINC000469620769 930034155 /nfs/dbraw/zinc/03/41/55/930034155.db2.gz MGIIIKOOCZHVAG-UHFFFAOYSA-N -1 3 375.396 3.663 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)c1ccc(Cl)c(F)c1 ZINC000758475654 930057008 /nfs/dbraw/zinc/05/70/08/930057008.db2.gz CTPROCXNMWPHQB-DOOKAGJSSA-N -1 3 397.855 3.592 20 0 GHADHM COCc1nc(C)c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000758818467 930179185 /nfs/dbraw/zinc/17/91/85/930179185.db2.gz AIFRLHVVXAQKKU-VIFPVBQESA-N -1 3 393.490 3.843 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCCC1 ZINC000780716891 930584873 /nfs/dbraw/zinc/58/48/73/930584873.db2.gz UAKHGWFAOLNGNG-LLVKDONJSA-N -1 3 384.851 3.512 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)[N-]N2CCc3ccccc3C2=O)c1 ZINC000780718649 930584934 /nfs/dbraw/zinc/58/49/34/930584934.db2.gz QIXDOAORWWAXMJ-UHFFFAOYSA-N -1 3 399.878 3.668 20 0 GHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000470771262 930898791 /nfs/dbraw/zinc/89/87/91/930898791.db2.gz DBCXQXRDXXUTSX-UHFFFAOYSA-N -1 3 379.881 3.658 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1noc(-c2ccccc2[O-])n1 ZINC000781987744 931052860 /nfs/dbraw/zinc/05/28/60/931052860.db2.gz KOSSZVJUDDGEOM-UHFFFAOYSA-N -1 3 377.400 3.990 20 0 GHADHM COc1cccc(C[C@@H](C)CC(=O)OCc2nnc(-c3ccccc3[O-])o2)c1 ZINC000924303086 931315861 /nfs/dbraw/zinc/31/58/61/931315861.db2.gz LZGGDTYNGWXWDW-CQSZACIVSA-N -1 3 382.416 3.763 20 0 GHADHM COc1ccc2oc(C)c(C(=O)OCc3noc(-c4ccccc4[O-])n3)c2c1 ZINC000783049837 931394999 /nfs/dbraw/zinc/39/49/99/931394999.db2.gz WIKWOTRXEDMCKA-UHFFFAOYSA-N -1 3 380.356 3.862 20 0 GHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)ccc12 ZINC000557394368 931398142 /nfs/dbraw/zinc/39/81/42/931398142.db2.gz FZBQSPUBUXZBCV-SECBINFHSA-N -1 3 377.853 3.649 20 0 GHADHM Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000557538099 931527393 /nfs/dbraw/zinc/52/73/93/931527393.db2.gz UZGPBKFLRLIRGA-UHFFFAOYSA-N -1 3 386.333 3.991 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1csc(-c2ccc(O)cc2)n1 ZINC000783375166 931528499 /nfs/dbraw/zinc/52/84/99/931528499.db2.gz OOANOBKXDVKJFV-UHFFFAOYSA-N -1 3 395.396 3.628 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nc(-c3cc(F)ccc3F)cs2)c2ccccc21 ZINC000783679825 931616338 /nfs/dbraw/zinc/61/63/38/931616338.db2.gz NTWXBLLNVNEHDH-ZSOIEALJSA-N -1 3 383.379 3.811 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(CC(F)F)C1CCC1 ZINC000925256869 931720762 /nfs/dbraw/zinc/72/07/62/931720762.db2.gz MYDYHFHQCBDSKM-UHFFFAOYSA-N -1 3 385.208 3.550 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1cc(Cl)ccc1Br ZINC000557862107 931728672 /nfs/dbraw/zinc/72/86/72/931728672.db2.gz BXAKWLSZJBAGJU-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM CCOC(=O)COc1ccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000784088379 931781267 /nfs/dbraw/zinc/78/12/67/931781267.db2.gz RZHOQCFNNLCDNH-UHFFFAOYSA-N -1 3 397.427 3.615 20 0 GHADHM COc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc(OC)c1C(C)C ZINC000784631687 931963886 /nfs/dbraw/zinc/96/38/86/931963886.db2.gz XNFWINGFLGTVQT-UHFFFAOYSA-N -1 3 398.415 3.940 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H]2CCCc3ccc(F)cc32)ccc1F ZINC000797239843 932230352 /nfs/dbraw/zinc/23/03/52/932230352.db2.gz QCSZMLMBXPFJGS-KRWDZBQOSA-N -1 3 381.400 3.571 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 ZINC000797785515 932406923 /nfs/dbraw/zinc/40/69/23/932406923.db2.gz HKBMBBSYSNYGJD-LALNJWKFSA-N -1 3 386.373 3.852 20 0 GHADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1 ZINC000559198268 932507142 /nfs/dbraw/zinc/50/71/42/932507142.db2.gz RZIASWQDYHAKAW-CYBMUJFWSA-N -1 3 390.983 3.705 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCC(C)(C)C3CCCCC3)c(=O)c2c(OC)c1 ZINC000626315283 932533929 /nfs/dbraw/zinc/53/39/29/932533929.db2.gz JTPHGMKJRKXKBC-UHFFFAOYSA-N -1 3 386.492 3.882 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1C ZINC000559399531 932653186 /nfs/dbraw/zinc/65/31/86/932653186.db2.gz ZEMOFWCCFMNNFG-SFHVURJKSA-N -1 3 390.505 3.580 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1cc([O-])ccc1Cl)Cc1ccc2ccccc2c1 ZINC000559801234 932866709 /nfs/dbraw/zinc/86/67/09/932866709.db2.gz BJRZEMAANHISBH-KRWDZBQOSA-N -1 3 397.858 3.961 20 0 GHADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000560273279 933178520 /nfs/dbraw/zinc/17/85/20/933178520.db2.gz HGJHMXSIAYBBRZ-LBPRGKRZSA-N -1 3 393.397 3.537 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001116024400 933290456 /nfs/dbraw/zinc/29/04/56/933290456.db2.gz VCJPWKKNEAIEGK-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001116024400 933290462 /nfs/dbraw/zinc/29/04/62/933290462.db2.gz VCJPWKKNEAIEGK-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCc1ccc2nc(-c3ccc(I)cc3)[n-]c(=O)c2c1 ZINC001116078902 933323867 /nfs/dbraw/zinc/32/38/67/933323867.db2.gz ZEMHRHFFDSMORC-UHFFFAOYSA-N -1 3 376.197 3.757 20 0 GHADHM CC(=O)c1cccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1[O-] ZINC000560551660 933336758 /nfs/dbraw/zinc/33/67/58/933336758.db2.gz CYTOORJSYFIIBR-HNNXBMFYSA-N -1 3 390.848 3.690 20 0 GHADHM CC(C)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC001116306186 933469924 /nfs/dbraw/zinc/46/99/24/933469924.db2.gz PMXUPBGVALISJN-UHFFFAOYSA-N -1 3 395.286 3.523 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001116363031 933510204 /nfs/dbraw/zinc/51/02/04/933510204.db2.gz DENLGUDPPVATSD-OYHNWAKOSA-N -1 3 375.428 3.503 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001116363032 933510229 /nfs/dbraw/zinc/51/02/29/933510229.db2.gz DENLGUDPPVATSD-QRQCRPRQSA-N -1 3 375.428 3.503 20 0 GHADHM CCOc1ccccc1[C@H](CC(=O)Nc1c([O-])cccc1Cl)NC(C)=O ZINC000560821575 933586010 /nfs/dbraw/zinc/58/60/10/933586010.db2.gz HJFHIFMPSGWXOA-HNNXBMFYSA-N -1 3 376.840 3.650 20 0 GHADHM CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC(C)(C)C1 ZINC000560867565 933634210 /nfs/dbraw/zinc/63/42/10/933634210.db2.gz DUCFBXJZAGTXJV-UHFFFAOYSA-N -1 3 377.282 3.941 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001116578048 933644228 /nfs/dbraw/zinc/64/42/28/933644228.db2.gz NYWSEPOEMOZRCS-CABCVRRESA-N -1 3 383.448 3.593 20 0 GHADHM COc1ccc(OC(F)F)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000561052452 933821088 /nfs/dbraw/zinc/82/10/88/933821088.db2.gz KLHFUDYPXQENQG-UHFFFAOYSA-N -1 3 392.333 3.838 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nnc(-c3cccc(F)c3)o2)[n-]c1-c1ccccc1 ZINC000777926495 934166030 /nfs/dbraw/zinc/16/60/30/934166030.db2.gz KZIZJIMUNJIDGJ-UHFFFAOYSA-N -1 3 398.419 3.548 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nnc(-c3cccc(F)c3)o2)nc1-c1ccccc1 ZINC000777926495 934166033 /nfs/dbraw/zinc/16/60/33/934166033.db2.gz KZIZJIMUNJIDGJ-UHFFFAOYSA-N -1 3 398.419 3.548 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000561559339 934272371 /nfs/dbraw/zinc/27/23/71/934272371.db2.gz LFHMSPDVEPJTSS-MRXNPFEDSA-N -1 3 397.855 3.936 20 0 GHADHM O=C([O-])C1CC2(C1)C[C@@H](NCc1csc(-c3ccc(Cl)cc3)n1)CCO2 ZINC001119549068 934367058 /nfs/dbraw/zinc/36/70/58/934367058.db2.gz DPDDDUKUFWXRCL-BTUGKURYSA-N -1 3 392.908 3.966 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Cl)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001120263853 934452918 /nfs/dbraw/zinc/45/29/18/934452918.db2.gz BYYRJLOAEZCCIN-IINYFYTJSA-N -1 3 385.773 3.764 20 0 GHADHM CC(C)(C)c1csc(CCNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)n1 ZINC001120370820 934460027 /nfs/dbraw/zinc/46/00/27/934460027.db2.gz GNDMKXWFLDLXND-UHFFFAOYSA-N -1 3 391.537 3.667 20 0 GHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000561846284 934502488 /nfs/dbraw/zinc/50/24/88/934502488.db2.gz OQZGGYWSEHUQCP-UHFFFAOYSA-N -1 3 387.483 3.559 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001121339095 934632026 /nfs/dbraw/zinc/63/20/26/934632026.db2.gz HLNKBLAYQFLTKM-INIZCTEOSA-N -1 3 388.821 3.738 20 0 GHADHM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001121423042 934653754 /nfs/dbraw/zinc/65/37/54/934653754.db2.gz YODYHXVVNVJKFZ-MRXNPFEDSA-N -1 3 396.882 3.850 20 0 GHADHM CC(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001122762249 934976503 /nfs/dbraw/zinc/97/65/03/934976503.db2.gz FUOKJXQMZKDBOV-LBPRGKRZSA-N -1 3 392.454 3.598 20 0 GHADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccc(I)cc1 ZINC001137580772 935599617 /nfs/dbraw/zinc/59/96/17/935599617.db2.gz YFGMDNSKDMKCQG-SECBINFHSA-N -1 3 385.176 3.878 20 0 GHADHM O=C(NCCOc1ncccc1C(F)(F)F)c1cc2sccc2c([O-])c1 ZINC001137637647 935652812 /nfs/dbraw/zinc/65/28/12/935652812.db2.gz SWNFNPSSHNKRMW-UHFFFAOYSA-N -1 3 382.363 3.830 20 0 GHADHM Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc([O-])cc(C(F)(F)F)c2)no1 ZINC000828796935 935713363 /nfs/dbraw/zinc/71/33/63/935713363.db2.gz JADSKJHBXHVINT-FTNCPSPGSA-N -1 3 381.354 3.653 20 0 GHADHM CCCCn1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)c1C ZINC000829892771 935878375 /nfs/dbraw/zinc/87/83/75/935878375.db2.gz MGAUXFZTRUPYJY-UHFFFAOYSA-N -1 3 375.494 3.729 20 0 GHADHM CCc1c([N-]S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)cnn1CC(C)C ZINC000829897566 935879007 /nfs/dbraw/zinc/87/90/07/935879007.db2.gz HKBJMWJYRXQKCC-UHFFFAOYSA-N -1 3 389.521 3.839 20 0 GHADHM COc1ccccc1[C@H]1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000830134750 935904440 /nfs/dbraw/zinc/90/44/40/935904440.db2.gz WGNYGPYWKVYXGQ-HNNXBMFYSA-N -1 3 385.460 3.828 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(OC2CC2)cc1)c1ccco1 ZINC000830330905 935931670 /nfs/dbraw/zinc/93/16/70/935931670.db2.gz HZPAFXMIBXJZRJ-SFHVURJKSA-N -1 3 379.478 3.513 20 0 GHADHM COc1ccc2c(c1)OC[C@H](NC(=O)c1cc(Oc3ccccc3)ccc1[O-])C2 ZINC001138032348 935938421 /nfs/dbraw/zinc/93/84/21/935938421.db2.gz BNFXVSDJLHNHNY-MRXNPFEDSA-N -1 3 391.423 3.927 20 0 GHADHM Brc1cnc(N[C@@H]2CCCCC23CCCC3)c(-c2nnn[n-]2)c1 ZINC001573280132 946655298 /nfs/dbraw/zinc/65/52/98/946655298.db2.gz NQQTUCKDIRJNSR-CYBMUJFWSA-N -1 3 377.290 3.939 20 0 GHADHM Brc1cnc(N[C@@H]2CCCCC23CCCC3)c(-c2nn[n-]n2)c1 ZINC001573280132 946655302 /nfs/dbraw/zinc/65/53/02/946655302.db2.gz NQQTUCKDIRJNSR-CYBMUJFWSA-N -1 3 377.290 3.939 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC001573553518 946887815 /nfs/dbraw/zinc/88/78/15/946887815.db2.gz YORNDNVGBXBCMB-JOCHJYFZSA-N -1 3 391.475 3.913 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC001573553518 946887830 /nfs/dbraw/zinc/88/78/30/946887830.db2.gz YORNDNVGBXBCMB-JOCHJYFZSA-N -1 3 391.475 3.913 20 0 GHADHM C[C@H](C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)c1ccc(Cl)c(Cl)c1 ZINC001573647362 947891177 /nfs/dbraw/zinc/89/11/77/947891177.db2.gz IUQKTLNUQJMOCC-JTQLQIEISA-N -1 3 388.258 3.866 20 0 GHADHM C[C@H](C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)c1ccc(Cl)c(Cl)c1 ZINC001573647362 947891189 /nfs/dbraw/zinc/89/11/89/947891189.db2.gz IUQKTLNUQJMOCC-JTQLQIEISA-N -1 3 388.258 3.866 20 0 GHADHM C[C@@H](C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651915 947924682 /nfs/dbraw/zinc/92/46/82/947924682.db2.gz QSKIFZAESQHGHN-SNVBAGLBSA-N -1 3 388.258 3.819 20 0 GHADHM C[C@@H](C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651915 947924686 /nfs/dbraw/zinc/92/46/86/947924686.db2.gz QSKIFZAESQHGHN-SNVBAGLBSA-N -1 3 388.258 3.819 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574082493 948854099 /nfs/dbraw/zinc/85/40/99/948854099.db2.gz FLTYXKXEQVIMCX-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574082493 948854117 /nfs/dbraw/zinc/85/41/17/948854117.db2.gz FLTYXKXEQVIMCX-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM C[C@H](F)CCNC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001575248859 949078475 /nfs/dbraw/zinc/07/84/75/949078475.db2.gz WQFGJKMYDDRTBI-LBPRGKRZSA-N -1 3 386.456 3.888 20 0 GHADHM C[C@H](F)CCNC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001575248859 949078494 /nfs/dbraw/zinc/07/84/94/949078494.db2.gz WQFGJKMYDDRTBI-LBPRGKRZSA-N -1 3 386.456 3.888 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Nc2cccnc2)cc1 ZINC001575513178 949145608 /nfs/dbraw/zinc/14/56/08/949145608.db2.gz QKDXYULQPFCMIG-OAHLLOKOSA-N -1 3 399.458 3.839 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Nc2cccnc2)cc1 ZINC001575513178 949145619 /nfs/dbraw/zinc/14/56/19/949145619.db2.gz QKDXYULQPFCMIG-OAHLLOKOSA-N -1 3 399.458 3.839 20 0 GHADHM CC(C)(C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787071 949164219 /nfs/dbraw/zinc/16/42/19/949164219.db2.gz LXKQISFHVPVDDC-LEWJYISDSA-N -1 3 397.482 3.970 20 0 GHADHM CC(C)(C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787071 949164235 /nfs/dbraw/zinc/16/42/35/949164235.db2.gz LXKQISFHVPVDDC-LEWJYISDSA-N -1 3 397.482 3.970 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001573788694 949210694 /nfs/dbraw/zinc/21/06/94/949210694.db2.gz SYPBLLMXPWIRBB-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001573788694 949210713 /nfs/dbraw/zinc/21/07/13/949210713.db2.gz SYPBLLMXPWIRBB-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM CC1=C(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001575860037 949288969 /nfs/dbraw/zinc/28/89/69/949288969.db2.gz BJFYDCIYWDDGEN-UHFFFAOYSA-N -1 3 391.479 3.789 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)c3c[nH]c4cccc(-c5nnn[n-]5)c34)cc21 ZINC001574468085 949456863 /nfs/dbraw/zinc/45/68/63/949456863.db2.gz IMMDEHTWJZQQFU-UHFFFAOYSA-N -1 3 386.419 3.531 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)c3c[nH]c4cccc(-c5nn[n-]n5)c34)cc21 ZINC001574468085 949456879 /nfs/dbraw/zinc/45/68/79/949456879.db2.gz IMMDEHTWJZQQFU-UHFFFAOYSA-N -1 3 386.419 3.531 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573853425 950321480 /nfs/dbraw/zinc/32/14/80/950321480.db2.gz OUTSYFIJGMSYIZ-NSHDSACASA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573853425 950321502 /nfs/dbraw/zinc/32/15/02/950321502.db2.gz OUTSYFIJGMSYIZ-NSHDSACASA-N -1 3 395.916 3.869 20 0 GHADHM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575624039 950661758 /nfs/dbraw/zinc/66/17/58/950661758.db2.gz MXNFXXPIOJGIND-MRXNPFEDSA-N -1 3 397.429 3.753 20 0 GHADHM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575624039 950661772 /nfs/dbraw/zinc/66/17/72/950661772.db2.gz MXNFXXPIOJGIND-MRXNPFEDSA-N -1 3 397.429 3.753 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574519246 950672760 /nfs/dbraw/zinc/67/27/60/950672760.db2.gz DENQBBAHZYOQIT-CYBMUJFWSA-N -1 3 382.443 3.884 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574519246 950672773 /nfs/dbraw/zinc/67/27/73/950672773.db2.gz DENQBBAHZYOQIT-CYBMUJFWSA-N -1 3 382.443 3.884 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)cc1 ZINC001573881711 950754973 /nfs/dbraw/zinc/75/49/73/950754973.db2.gz FPZIEUCULRULSS-UHFFFAOYSA-N -1 3 399.445 3.615 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)cc1 ZINC001573881711 950754978 /nfs/dbraw/zinc/75/49/78/950754978.db2.gz FPZIEUCULRULSS-UHFFFAOYSA-N -1 3 399.445 3.615 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)Cc3cccc(C(F)F)c3)c(-c3nnn[n-]3)cc2C1 ZINC001576220194 950827549 /nfs/dbraw/zinc/82/75/49/950827549.db2.gz VZBNSAGORSBYIB-NSHDSACASA-N -1 3 398.417 3.505 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)Cc3cccc(C(F)F)c3)c(-c3nn[n-]n3)cc2C1 ZINC001576220194 950827570 /nfs/dbraw/zinc/82/75/70/950827570.db2.gz VZBNSAGORSBYIB-NSHDSACASA-N -1 3 398.417 3.505 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001576220984 950840142 /nfs/dbraw/zinc/84/01/42/950840142.db2.gz YORPTRCSYZTAOH-BMLIUANNSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001576220984 950840169 /nfs/dbraw/zinc/84/01/69/950840169.db2.gz YORPTRCSYZTAOH-BMLIUANNSA-N -1 3 384.390 3.590 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001573887686 950851470 /nfs/dbraw/zinc/85/14/70/950851470.db2.gz ITRWCVLWDNDMAD-UHFFFAOYSA-N -1 3 393.278 3.911 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001573887686 950851481 /nfs/dbraw/zinc/85/14/81/950851481.db2.gz ITRWCVLWDNDMAD-UHFFFAOYSA-N -1 3 393.278 3.911 20 0 GHADHM C[C@@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1)N(C)c1ccccc1 ZINC001575116776 951973849 /nfs/dbraw/zinc/97/38/49/951973849.db2.gz IIPBTSHTFKERGT-NSHDSACASA-N -1 3 394.376 3.961 20 0 GHADHM C[C@@H](CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC001575116776 951973852 /nfs/dbraw/zinc/97/38/52/951973852.db2.gz IIPBTSHTFKERGT-NSHDSACASA-N -1 3 394.376 3.961 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001575184731 952423143 /nfs/dbraw/zinc/42/31/43/952423143.db2.gz BIMSRWSXFDQVLF-DLBZAZTESA-N -1 3 381.524 3.864 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001575184731 952423149 /nfs/dbraw/zinc/42/31/49/952423149.db2.gz BIMSRWSXFDQVLF-DLBZAZTESA-N -1 3 381.524 3.864 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1ccccc1F)C1CCC1 ZINC001575185505 952433703 /nfs/dbraw/zinc/43/37/03/952433703.db2.gz RKHATQAVYQRNDH-HNNXBMFYSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1F)C1CCC1 ZINC001575185505 952433707 /nfs/dbraw/zinc/43/37/07/952433707.db2.gz RKHATQAVYQRNDH-HNNXBMFYSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1c2ccccc2SC[C@H]1C ZINC001575187490 952441494 /nfs/dbraw/zinc/44/14/94/952441494.db2.gz CMZHGPRLJOSYES-ZIAGYGMSSA-N -1 3 379.489 3.573 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccccc2SC[C@H]1C ZINC001575187490 952441497 /nfs/dbraw/zinc/44/14/97/952441497.db2.gz CMZHGPRLJOSYES-ZIAGYGMSSA-N -1 3 379.489 3.573 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC001575188196 952447246 /nfs/dbraw/zinc/44/72/46/952447246.db2.gz HSJIFHFSFCRLCF-CQSZACIVSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC001575188196 952447250 /nfs/dbraw/zinc/44/72/50/952447250.db2.gz HSJIFHFSFCRLCF-CQSZACIVSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001575188390 952447265 /nfs/dbraw/zinc/44/72/65/952447265.db2.gz HUOMSISTZKISQM-SNVBAGLBSA-N -1 3 394.328 3.809 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001575188390 952447268 /nfs/dbraw/zinc/44/72/68/952447268.db2.gz HUOMSISTZKISQM-SNVBAGLBSA-N -1 3 394.328 3.809 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575189408 952458026 /nfs/dbraw/zinc/45/80/26/952458026.db2.gz OLDJOZVSNISDHL-YJYMSZOUSA-N -1 3 395.894 3.893 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575189408 952458030 /nfs/dbraw/zinc/45/80/30/952458030.db2.gz OLDJOZVSNISDHL-YJYMSZOUSA-N -1 3 395.894 3.893 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001575190481 952462439 /nfs/dbraw/zinc/46/24/39/952462439.db2.gz SOUYFADUEGIVDS-KBPBESRZSA-N -1 3 375.432 3.669 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001575190481 952462444 /nfs/dbraw/zinc/46/24/44/952462444.db2.gz SOUYFADUEGIVDS-KBPBESRZSA-N -1 3 375.432 3.669 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001575191858 952470000 /nfs/dbraw/zinc/47/00/00/952470000.db2.gz YXAQROHUHZESQR-XMMPIXPASA-N -1 3 397.482 3.684 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001575191858 952470003 /nfs/dbraw/zinc/47/00/03/952470003.db2.gz YXAQROHUHZESQR-XMMPIXPASA-N -1 3 397.482 3.684 20 0 GHADHM C[C@H](NCc1ncc(Br)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573630829 959550553 /nfs/dbraw/zinc/55/05/53/959550553.db2.gz LPGVKKBFYOIYLH-INTQDDNPSA-N -1 3 375.694 3.723 20 0 GHADHM CC(C)[C@@](C)(NCc1cc(C(=O)[O-])nn1C)c1ccc(Br)cc1 ZINC001588811757 961519075 /nfs/dbraw/zinc/51/90/75/961519075.db2.gz AAKJABRUDGVZBB-QGZVFWFLSA-N -1 3 380.286 3.542 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)CC/C=C\c2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001345074322 962220793 /nfs/dbraw/zinc/22/07/93/962220793.db2.gz JNRXOKGIZRNXGF-TUHZNUCUSA-N -1 3 392.499 3.716 20 0 GHADHM O=C([O-])CN1CCCC[C@H](NCc2ccc(-c3ccccc3)c(Cl)c2)C1=O ZINC001574723192 962793184 /nfs/dbraw/zinc/79/31/84/962793184.db2.gz AZNNZMSRESKKBY-IBGZPJMESA-N -1 3 386.879 3.562 20 0 GHADHM O=C([O-])[C@]1(NC(=O)/C=C/c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001526687523 962875836 /nfs/dbraw/zinc/87/58/36/962875836.db2.gz GEPJIEWTDFHVMI-FQTAANOTSA-N -1 3 398.890 3.589 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)CCCCc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001526711926 962877664 /nfs/dbraw/zinc/87/76/64/962877664.db2.gz SNZAYODUWHFVPM-XMMPIXPASA-N -1 3 394.515 3.635 20 0 GHADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549035516 962925668 /nfs/dbraw/zinc/92/56/68/962925668.db2.gz GAMVPDFNJXMWCT-NXWXRZEISA-N -1 3 398.528 3.600 20 0 GHADHM C[C@@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314850253 963820232 /nfs/dbraw/zinc/82/02/32/963820232.db2.gz WRNFPTWDHUUCGS-KZULUSFZSA-N -1 3 383.514 3.529 20 0 GHADHM O=C([O-])CN1CCCC[C@H](NCc2ccc(-c3ccccc3Cl)s2)C1=O ZINC001606259308 973619067 /nfs/dbraw/zinc/61/90/67/973619067.db2.gz PMNMILBOVXHDKY-INIZCTEOSA-N -1 3 392.908 3.624 20 0 GHADHM C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000404281202 973717270 /nfs/dbraw/zinc/71/72/70/973717270.db2.gz FBFCNUIFQHSQTJ-YNEHKIRRSA-N -1 3 379.913 3.982 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)N(C)C)cc1 ZINC001603968266 974449269 /nfs/dbraw/zinc/44/92/69/974449269.db2.gz CXUDHKWDONQLHD-FQEVSTJZSA-N -1 3 383.492 3.691 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001591747625 975796614 /nfs/dbraw/zinc/79/66/14/975796614.db2.gz UMXUJHCORJJCGN-QGZVFWFLSA-N -1 3 397.475 3.568 20 0 GHADHM CC(C)c1ccc([C@@H](NCC(=O)Nc2nc(CC(=O)[O-])cs2)C(C)C)cc1 ZINC001591948370 976499344 /nfs/dbraw/zinc/49/93/44/976499344.db2.gz GDNOKRPTWPVRLK-IBGZPJMESA-N -1 3 389.521 3.819 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001625915891 1014372494 /nfs/dbraw/zinc/37/24/94/1014372494.db2.gz HWHYOFQZNDVCFZ-NRFANRHFSA-N -1 3 391.475 3.677 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001625915891 1014372481 /nfs/dbraw/zinc/37/24/81/1014372481.db2.gz HWHYOFQZNDVCFZ-NRFANRHFSA-N -1 3 391.475 3.677 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001592268975 977526570 /nfs/dbraw/zinc/52/65/70/977526570.db2.gz OUXKXCDBIFKTHZ-PXAZEXFGSA-N -1 3 388.851 3.869 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001592268976 977526635 /nfs/dbraw/zinc/52/66/35/977526635.db2.gz OUXKXCDBIFKTHZ-SJCJKPOMSA-N -1 3 388.851 3.869 20 0 GHADHM C[C@H](COCC1CC1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001592776836 979404500 /nfs/dbraw/zinc/40/45/00/979404500.db2.gz UHKJLMASLCCWIO-LLVKDONJSA-N -1 3 398.290 3.782 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1)C(=O)[O-] ZINC001592868491 979720081 /nfs/dbraw/zinc/72/00/81/979720081.db2.gz YRUCWBGVXVNJDO-LAUBAEHRSA-N -1 3 395.503 3.908 20 0 GHADHM CC[C@@H](CSC)N(C)Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001595203015 979959909 /nfs/dbraw/zinc/95/99/09/979959909.db2.gz NGRHNLSMPBSQII-JTQLQIEISA-N -1 3 386.315 3.528 20 0 GHADHM CC[C@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1OCC(=O)N(C)C ZINC001595279299 980318370 /nfs/dbraw/zinc/31/83/70/980318370.db2.gz OMOUVOAZLOCNOA-CJNGLKHVSA-N -1 3 390.505 3.715 20 0 GHADHM CC[C@H](NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595301371 980437613 /nfs/dbraw/zinc/43/76/13/980437613.db2.gz YHACACQKFZIMFX-FTRWYGJKSA-N -1 3 383.492 3.634 20 0 GHADHM Cc1cc(Br)ccc1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903940894 981061528 /nfs/dbraw/zinc/06/15/28/981061528.db2.gz KOOYKVIJKOTORF-JQFCIGGWSA-N -1 3 382.298 3.602 20 0 GHADHM CCCCCC[C@](O)(CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595699501 982259267 /nfs/dbraw/zinc/25/92/67/982259267.db2.gz YQGDOEFPRKEINL-SCRDCRAPSA-N -1 3 393.368 3.835 20 0 GHADHM CCCCOc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1OC ZINC001595775389 982534912 /nfs/dbraw/zinc/53/49/12/982534912.db2.gz BRMPZOYTMSMAMT-UHFFFAOYSA-N -1 3 386.492 4.000 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001595862818 982800996 /nfs/dbraw/zinc/80/09/96/982800996.db2.gz MHLLNJNGROZJCG-CHWSQXEVSA-N -1 3 390.402 3.552 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccco1 ZINC001594994442 982876345 /nfs/dbraw/zinc/87/63/45/982876345.db2.gz MJBMWZPNBIOZES-SQWLQELKSA-N -1 3 390.505 3.704 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccsc1 ZINC001596254239 983661639 /nfs/dbraw/zinc/66/16/39/983661639.db2.gz GDZRRRSENWZYBL-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccsc1 ZINC001596254643 983664512 /nfs/dbraw/zinc/66/45/12/983664512.db2.gz WDYWRLLADCWVLQ-GOSISDBHSA-N -1 3 389.521 3.970 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001596593878 984536717 /nfs/dbraw/zinc/53/67/17/984536717.db2.gz FRIMTKVRBGUQSY-IBGZPJMESA-N -1 3 384.476 3.662 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001596594424 984541986 /nfs/dbraw/zinc/54/19/86/984541986.db2.gz PMXJZNLQCYIEDH-NRFANRHFSA-N -1 3 396.487 3.729 20 0 GHADHM CC[C@H](Cc1ccccc1Br)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001545686931 1015046901 /nfs/dbraw/zinc/04/69/01/1015046901.db2.gz XHQYCFQDGNGASG-GFCCVEGCSA-N -1 3 392.249 3.635 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1C ZINC001596692644 984813653 /nfs/dbraw/zinc/81/36/53/984813653.db2.gz YEHPSQFROBJMFO-MRXNPFEDSA-N -1 3 398.381 3.743 20 0 GHADHM CC(=O)Nc1cccc(OCCN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC001589215700 985710310 /nfs/dbraw/zinc/71/03/10/985710310.db2.gz IBDJFHYJDUTAPM-QGZVFWFLSA-N -1 3 397.258 3.746 20 0 GHADHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594508399 985749087 /nfs/dbraw/zinc/74/90/87/985749087.db2.gz QXJJYMNNBZJRFZ-IAQYHMDHSA-N -1 3 397.928 3.511 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594537735 986162587 /nfs/dbraw/zinc/16/25/87/986162587.db2.gz JJYCFAPYPBOTIT-ZFWWWQNUSA-N -1 3 380.460 3.507 20 0 GHADHM CCOc1c(OC)cc(CN[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1OC ZINC001596991671 986272073 /nfs/dbraw/zinc/27/20/73/986272073.db2.gz QVOVWUFQHYPOKW-SFHVURJKSA-N -1 3 385.460 3.968 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1OC(=O)CC ZINC001597035676 986473258 /nfs/dbraw/zinc/47/32/58/986473258.db2.gz NRAORZMWACCRRO-HXUWFJFHSA-N -1 3 389.423 3.764 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(Cc3cc(C(=O)[O-])ccc3OC)CC2)cc1 ZINC001597075029 986604120 /nfs/dbraw/zinc/60/41/20/986604120.db2.gz ZSBHJNUWNSQQNE-JOCHJYFZSA-N -1 3 399.487 3.738 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCC1 ZINC001589486658 987033801 /nfs/dbraw/zinc/03/38/01/987033801.db2.gz IZQHZBJNJRUUBG-LBPRGKRZSA-N -1 3 383.473 3.892 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CN1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745386 988038088 /nfs/dbraw/zinc/03/80/88/988038088.db2.gz IBDBADYEKJZNPI-DYESRHJHSA-N -1 3 378.488 3.606 20 0 GHADHM CSc1ccc(CN2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)s1 ZINC001599813359 988377329 /nfs/dbraw/zinc/37/73/29/988377329.db2.gz QEMPHDHVKQLHFB-GBRVTDDUSA-N -1 3 397.562 3.725 20 0 GHADHM CSc1ccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1C(=O)[O-] ZINC001599819390 988485079 /nfs/dbraw/zinc/48/50/79/988485079.db2.gz WEXAPKIPCXBHQI-CQSZACIVSA-N -1 3 387.505 3.749 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001597763578 989208060 /nfs/dbraw/zinc/20/80/60/989208060.db2.gz ZXXFBFZIXOZGGO-GDBMZVCRSA-N -1 3 392.496 3.762 20 0 GHADHM CCc1oc(CN2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597798283 989362754 /nfs/dbraw/zinc/36/27/54/989362754.db2.gz CUICJMAONSWACU-QKKBWIMNSA-N -1 3 392.496 3.667 20 0 GHADHM CCc1oc(CN[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1C(=O)[O-] ZINC001597799674 989383734 /nfs/dbraw/zinc/38/37/34/989383734.db2.gz RPLLQUXAFLHSEK-BTYIYWSLSA-N -1 3 387.476 3.955 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1(C)C ZINC001590146767 989422081 /nfs/dbraw/zinc/42/20/81/989422081.db2.gz FPJUUOLXMBPUCS-KRWDZBQOSA-N -1 3 399.491 3.668 20 0 GHADHM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001590480590 990067572 /nfs/dbraw/zinc/06/75/72/990067572.db2.gz SPLPEHUXCIITNJ-IBGZPJMESA-N -1 3 381.476 3.925 20 0 GHADHM CCc1cc(=O)[n-]c(CN(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)n1 ZINC000468272709 1015533920 /nfs/dbraw/zinc/53/39/20/1015533920.db2.gz OHDZLGHQPPMDKS-UHFFFAOYSA-N -1 3 379.407 3.519 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccnc1OCC(F)(F)F ZINC000468323375 1015585743 /nfs/dbraw/zinc/58/57/43/1015585743.db2.gz XTPFIZMYDAUHIS-UHFFFAOYSA-N -1 3 386.345 3.507 20 0 GHADHM COc1cccc([C@H](NCc2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)[O-])c1 ZINC001599687769 991015357 /nfs/dbraw/zinc/01/53/57/991015357.db2.gz BMKNPHPYQKMPAT-SFHVURJKSA-N -1 3 386.448 3.958 20 0 GHADHM CN(C[C@@H](O)c1ccc(F)cc1Cl)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598437595 991850217 /nfs/dbraw/zinc/85/02/17/991850217.db2.gz VLUUEYXBLVUZIG-ZBFHGGJFSA-N -1 3 391.748 3.688 20 0 GHADHM CN1CC[C@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001598586381 993389012 /nfs/dbraw/zinc/38/90/12/993389012.db2.gz NUTVGTRVFWFPOS-AZUAARDMSA-N -1 3 399.516 3.820 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC001593081835 993667191 /nfs/dbraw/zinc/66/71/91/993667191.db2.gz FAVNVUVVXGLDTK-FFZOFVMBSA-N -1 3 397.519 3.829 20 0 GHADHM C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1OCC(=O)[O-] ZINC001593246731 994457081 /nfs/dbraw/zinc/45/70/81/994457081.db2.gz OHPYFPIZODOXRL-WBMJQRKESA-N -1 3 383.366 3.553 20 0 GHADHM COc1cccc(CC2CCN(Cc3cc(C(=O)[O-])c4n3CCCC4)CC2)c1 ZINC001599671903 994828103 /nfs/dbraw/zinc/82/81/03/994828103.db2.gz ORSVYYCYENGTSL-UHFFFAOYSA-N -1 3 382.504 3.986 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1)C(=O)[O-] ZINC001593617080 995848826 /nfs/dbraw/zinc/84/88/26/995848826.db2.gz AOOHYAOJSUXTLC-DYESRHJHSA-N -1 3 383.488 3.922 20 0 GHADHM C[C@H](c1ccc(Br)cc1)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593686865 996124671 /nfs/dbraw/zinc/12/46/71/996124671.db2.gz TXBBKAVZEXCGDO-ACJLOTCBSA-N -1 3 382.298 3.592 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001593709952 996206835 /nfs/dbraw/zinc/20/68/35/996206835.db2.gz GMJXNLDIXYOBQE-HUJKARHJSA-N -1 3 393.487 3.832 20 0 GHADHM COC(=O)CCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598852182 996613223 /nfs/dbraw/zinc/61/32/23/996613223.db2.gz MCOUPJXQNZDVPS-UHFFFAOYSA-N -1 3 375.852 3.994 20 0 GHADHM C[C@@H](c1cccc(F)c1)N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468813994 1016061510 /nfs/dbraw/zinc/06/15/10/1016061510.db2.gz CXTKICFRLDVYSP-INIZCTEOSA-N -1 3 388.458 3.899 20 0 GHADHM CCC(CC)(CC)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000468839003 1016092902 /nfs/dbraw/zinc/09/29/02/1016092902.db2.gz FEEUHWUOJBYCJL-UHFFFAOYSA-N -1 3 385.530 3.795 20 0 GHADHM COc1cc(CN(C)C[C@H]2[C@H](C(=O)[O-])C2(F)F)ccc1OCc1ccccc1 ZINC001599405575 997290886 /nfs/dbraw/zinc/29/08/86/997290886.db2.gz FOONMJLOQFFTBE-QFBILLFUSA-N -1 3 391.414 3.672 20 0 GHADHM COCC[C@H](NCc1cc(C(=O)[O-])c(C)n1C)c1cccc(C(F)(F)F)c1 ZINC001599219054 997633130 /nfs/dbraw/zinc/63/31/30/997633130.db2.gz WFMXAWRAMVSNRS-KRWDZBQOSA-N -1 3 384.398 3.918 20 0 GHADHM COc1ccc([C@H](NCc2cccc(OCc3ccccn3)c2)C(=O)[O-])cc1 ZINC001599531125 997654745 /nfs/dbraw/zinc/65/47/45/997654745.db2.gz KPZXWPWOBBOLGO-NRFANRHFSA-N -1 3 378.428 3.585 20 0 GHADHM COC(=O)c1cc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)[nH]c1C ZINC001598931088 997755695 /nfs/dbraw/zinc/75/56/95/997755695.db2.gz GDXDJMUFPKBWTJ-UHFFFAOYSA-N -1 3 395.459 3.669 20 0 GHADHM CC(C)(C)OC(=O)NC1(C)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001594058160 997819388 /nfs/dbraw/zinc/81/93/88/997819388.db2.gz ZGJWNLQRGFZYEX-HNNXBMFYSA-N -1 3 382.888 3.845 20 0 GHADHM COc1cc(Br)ccc1CCCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599349024 998060821 /nfs/dbraw/zinc/06/08/21/998060821.db2.gz ZZKOSJHONQKLLS-JTQLQIEISA-N -1 3 399.310 3.896 20 0 GHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])no2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001599558680 998145786 /nfs/dbraw/zinc/14/57/86/998145786.db2.gz NBHUPZLYETURHT-KSSFIOAISA-N -1 3 388.464 3.971 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1csc(C)c1C)CC2 ZINC001599466106 998362913 /nfs/dbraw/zinc/36/29/13/998362913.db2.gz ZIQZGKYNOGTELA-KRWDZBQOSA-N -1 3 375.490 3.956 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1Br ZINC001599571884 998377535 /nfs/dbraw/zinc/37/75/35/998377535.db2.gz KBBPAEFSOXLXRP-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM CSc1cc2c(cc1NC(=O)CCCc1ccc([O-])c(F)c1)OCCO2 ZINC000468932227 1016237761 /nfs/dbraw/zinc/23/77/61/1016237761.db2.gz KXABKGRYYRSSLL-UHFFFAOYSA-N -1 3 377.437 3.986 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2csc(C(=O)[O-])c2)[C@@H]1C ZINC001594307543 999188263 /nfs/dbraw/zinc/18/82/63/999188263.db2.gz BAGIZWIIDIHTLM-UMVBOHGHSA-N -1 3 382.526 3.960 20 0 GHADHM CN(C)C(=O)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1Cl ZINC000468977775 1016300242 /nfs/dbraw/zinc/30/02/42/1016300242.db2.gz NHWUNVZXLLDTOX-UHFFFAOYSA-N -1 3 378.831 3.848 20 0 GHADHM COc1ccccc1N1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468989532 1016312582 /nfs/dbraw/zinc/31/25/82/1016312582.db2.gz PBFGHNGNPWKZGB-UHFFFAOYSA-N -1 3 386.467 3.648 20 0 GHADHM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469016967 1016341253 /nfs/dbraw/zinc/34/12/53/1016341253.db2.gz SFQCOKFHRDLHEV-UHFFFAOYSA-N -1 3 393.842 3.709 20 0 GHADHM COc1ccccc1N1CC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469066268 1016403433 /nfs/dbraw/zinc/40/34/33/1016403433.db2.gz WSRVEFHFQLQQRB-KRWDZBQOSA-N -1 3 386.467 3.505 20 0 GHADHM CCc1noc(-c2ccc(CCNC(=O)CCCc3ccc([O-])c(F)c3)cc2)n1 ZINC000469123552 1016520346 /nfs/dbraw/zinc/52/03/46/1016520346.db2.gz YWIJWUOZKMPNAX-UHFFFAOYSA-N -1 3 397.450 3.825 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000546563604 1016673943 /nfs/dbraw/zinc/67/39/43/1016673943.db2.gz NJWVDNXMNBAQEQ-UHFFFAOYSA-N -1 3 397.287 3.824 20 0 GHADHM CC(C)N1CCO[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)C1 ZINC000547239996 1016862765 /nfs/dbraw/zinc/86/27/65/1016862765.db2.gz WEFBVTGPOOLDIZ-FQEVSTJZSA-N -1 3 395.459 3.803 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3CCC(COc4cccnc4)CC3)c2c1 ZINC001154529291 1032164936 /nfs/dbraw/zinc/16/49/36/1032164936.db2.gz HHPBHCUDRLOSJE-UHFFFAOYSA-N -1 3 377.444 3.575 20 0 GHADHM Cc1ccc([C@@]2(C)CN(C(=O)c3c([O-])cnc4ccc(C)cc43)CCO2)cc1 ZINC001154531107 1032166950 /nfs/dbraw/zinc/16/69/50/1032166950.db2.gz UKUYILJHEQZXSO-HSZRJFAPSA-N -1 3 376.456 3.945 20 0 GHADHM Cc1ccc(C(=O)[C@@H](Oc2[n-]c(=O)nc3cnccc32)c2ccc(C)cc2)cc1 ZINC001226975147 1032219024 /nfs/dbraw/zinc/21/90/24/1032219024.db2.gz VOPXETHDPRXGOI-NRFANRHFSA-N -1 3 385.423 3.938 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C(C)C)cc1 ZINC001221017622 1032238037 /nfs/dbraw/zinc/23/80/37/1032238037.db2.gz ZKJNAYXTOVAWDJ-GHTZIAJQSA-N -1 3 397.523 3.581 20 0 GHADHM CN(C)[C@H](CNC(=O)c1cc(F)cc(F)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001154886240 1032326935 /nfs/dbraw/zinc/32/69/35/1032326935.db2.gz SSDCXDOANIONNJ-OAHLLOKOSA-N -1 3 388.336 3.722 20 0 GHADHM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155187185 1032450083 /nfs/dbraw/zinc/45/00/83/1032450083.db2.gz SZVITIMLMPNFIJ-UHFFFAOYSA-N -1 3 381.779 3.757 20 0 GHADHM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155187185 1032450090 /nfs/dbraw/zinc/45/00/90/1032450090.db2.gz SZVITIMLMPNFIJ-UHFFFAOYSA-N -1 3 381.779 3.757 20 0 GHADHM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155187185 1032450095 /nfs/dbraw/zinc/45/00/95/1032450095.db2.gz SZVITIMLMPNFIJ-UHFFFAOYSA-N -1 3 381.779 3.757 20 0 GHADHM C[C@@H]1C[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227585470 1032473817 /nfs/dbraw/zinc/47/38/17/1032473817.db2.gz CMQXAEJIJYLWCC-PWSUYJOCSA-N -1 3 376.375 3.973 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3cc(=O)cc(C(F)(F)F)[n-]3)C[C@H]21 ZINC001227586534 1032474129 /nfs/dbraw/zinc/47/41/29/1032474129.db2.gz MVGJFBDYHPSULH-KGYLQXTDSA-N -1 3 388.386 3.973 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584106 1032472722 /nfs/dbraw/zinc/47/27/22/1032472722.db2.gz QGMJFBYIWQOVNJ-ZYHUDNBSSA-N -1 3 376.375 3.830 20 0 GHADHM CCc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c([O-])c1 ZINC001155325074 1032504912 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3.594 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCn2c(=O)c(CC)c(C)nc21 ZINC001228135159 1032802374 /nfs/dbraw/zinc/80/23/74/1032802374.db2.gz XAWFMAZEMZGIDZ-IBGZPJMESA-N -1 3 384.476 3.889 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc(CC)ccc1[O-] ZINC001156007947 1032837122 /nfs/dbraw/zinc/83/71/22/1032837122.db2.gz BKZAAPUMCWHFKU-QGZVFWFLSA-N -1 3 375.852 3.512 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000570708286 1019636104 /nfs/dbraw/zinc/63/61/04/1019636104.db2.gz PFOSCKYVMSLEOB-RBSFLKMASA-N -1 3 376.884 3.659 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN(Cc2ccccc2C)CC1 ZINC000571050733 1019662871 /nfs/dbraw/zinc/66/28/71/1019662871.db2.gz UGZLWDAFZVROLW-UHFFFAOYSA-N -1 3 391.471 3.572 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000571051748 1019665097 /nfs/dbraw/zinc/66/50/97/1019665097.db2.gz KEJSKVGQAZHBQZ-WMZOPIPTSA-N -1 3 386.879 3.618 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000579242601 1020396421 /nfs/dbraw/zinc/39/64/21/1020396421.db2.gz KVNUIXWKHWZPMW-UHFFFAOYSA-N -1 3 375.831 3.905 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000191876331 1020826562 /nfs/dbraw/zinc/82/65/62/1020826562.db2.gz DTDGCBYLHMBWOZ-UWVGGRQHSA-N -1 3 387.274 3.643 20 0 GHADHM O=C(c1ccc(F)cc1)C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000192466956 1020879593 /nfs/dbraw/zinc/87/95/93/1020879593.db2.gz GSRYYKPFDONGAV-UHFFFAOYSA-N -1 3 381.403 3.733 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000081957345 1020968430 /nfs/dbraw/zinc/96/84/30/1020968430.db2.gz MWVKYTNHZVNBAQ-OAHLLOKOSA-N -1 3 376.497 3.674 20 0 GHADHM C[C@](CC(=O)[O-])(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CCCCC1 ZINC000634921186 1020973970 /nfs/dbraw/zinc/97/39/70/1020973970.db2.gz AZSCXOJAVCHXBO-XZDHIHRUSA-N -1 3 398.547 3.781 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc([N-]Cc2ccc(Cl)cn2)o1 ZINC000902141460 1021483266 /nfs/dbraw/zinc/48/32/66/1021483266.db2.gz XISOOEPCKLEPGC-CYBMUJFWSA-N -1 3 379.848 3.802 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000903895783 1021648597 /nfs/dbraw/zinc/64/85/97/1021648597.db2.gz LCGUKZKMVYBEBO-FUHWJXTLSA-N -1 3 389.492 3.570 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000677242541 1021808734 /nfs/dbraw/zinc/80/87/34/1021808734.db2.gz KQLVEMIUMPHNHG-KBRIMQKVSA-N -1 3 379.453 3.506 20 0 GHADHM CC(C)(C)c1nnc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccn21 ZINC001156383653 1033010179 /nfs/dbraw/zinc/01/01/79/1033010179.db2.gz FHLABFSHPXLHSA-UHFFFAOYSA-N -1 3 389.253 3.747 20 0 GHADHM COc1cccc([O-])c1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001140522322 1021913778 /nfs/dbraw/zinc/91/37/78/1021913778.db2.gz FQNAKQVKNNKUSJ-HXUWFJFHSA-N -1 3 377.440 3.777 20 0 GHADHM CCOc1ccccc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140547219 1021948517 /nfs/dbraw/zinc/94/85/17/1021948517.db2.gz CGAUDKHRKWSTCN-UHFFFAOYSA-N -1 3 391.309 3.876 20 0 GHADHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cccc([O-])c1Br ZINC001140547945 1021949210 /nfs/dbraw/zinc/94/92/10/1021949210.db2.gz WYJDWNNQQSCXGX-UHFFFAOYSA-N -1 3 397.313 3.644 20 0 GHADHM CC(=O)N1CCCC[C@]12CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140548023 1021949229 /nfs/dbraw/zinc/94/92/29/1021949229.db2.gz AKRRIFDCZPGPCV-GOSISDBHSA-N -1 3 381.314 3.522 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1Br ZINC001140550204 1021951626 /nfs/dbraw/zinc/95/16/26/1021951626.db2.gz DDJMUNRUCXYZCW-JFIYKMOQSA-N -1 3 396.325 3.703 20 0 GHADHM O=C1Nc2ccccc2C12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001140550501 1021951840 /nfs/dbraw/zinc/95/18/40/1021951840.db2.gz UEQPNIZNTXZUTP-UHFFFAOYSA-N -1 3 387.277 3.641 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2cccc([O-])c2Br)C1 ZINC001140550671 1021953039 /nfs/dbraw/zinc/95/30/39/1021953039.db2.gz XZUWGPYTWBKMTJ-UONOGXRCSA-N -1 3 397.313 3.596 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1CO ZINC001137465881 1022331694 /nfs/dbraw/zinc/33/16/94/1022331694.db2.gz GIXKUUFSKFRWBV-UHFFFAOYSA-N -1 3 394.427 3.515 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC1(CC(C)C)CC1 ZINC001137499256 1022354942 /nfs/dbraw/zinc/35/49/42/1022354942.db2.gz WHUSRDJPAKPVIG-UHFFFAOYSA-N -1 3 395.459 3.549 20 0 GHADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000390933885 1022377729 /nfs/dbraw/zinc/37/77/29/1022377729.db2.gz IGEYXJFOCZNQFA-LLVKDONJSA-N -1 3 399.266 3.705 20 0 GHADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000390933890 1022378228 /nfs/dbraw/zinc/37/82/28/1022378228.db2.gz IGEYXJFOCZNQFA-NSHDSACASA-N -1 3 399.266 3.705 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001228716609 1033059881 /nfs/dbraw/zinc/05/98/81/1033059881.db2.gz SGBVYDHQYGBMCY-CQSZACIVSA-N -1 3 398.406 3.956 20 0 GHADHM COc1cc(C(=O)OCc2ccc(OCc3cccnc3)cc2)cc(OC)c1[O-] ZINC000754272849 1022575259 /nfs/dbraw/zinc/57/52/59/1022575259.db2.gz XDVYUSIOTGWZIC-UHFFFAOYSA-N -1 3 395.411 3.740 20 0 GHADHM COc1cc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc(OC)c1[O-] ZINC000754394988 1022669792 /nfs/dbraw/zinc/66/97/92/1022669792.db2.gz DBOWNGGLIQDZBD-UHFFFAOYSA-N -1 3 399.424 3.942 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140890570 1022808680 /nfs/dbraw/zinc/80/86/80/1022808680.db2.gz ICAQDGVGPKPDPL-LJQANCHMSA-N -1 3 378.444 3.751 20 0 GHADHM [O-]c1ccc(CN2CC(c3ncn4cc(Br)ccc34)C2)c(F)c1F ZINC001140893723 1022819068 /nfs/dbraw/zinc/81/90/68/1022819068.db2.gz ZXUPXMJYGGYFJA-UHFFFAOYSA-N -1 3 394.219 3.680 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccc(C(=O)[O-])o3)CC2)C1 ZINC001140943813 1022948650 /nfs/dbraw/zinc/94/86/50/1022948650.db2.gz CRARKVFQBKNFLT-UHFFFAOYSA-N -1 3 378.469 3.591 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccc(C(=O)[O-])o2)C2CCC2)C1 ZINC001140948728 1022966134 /nfs/dbraw/zinc/96/61/34/1022966134.db2.gz XTUMDJWZXVYOFR-HNNXBMFYSA-N -1 3 378.469 3.732 20 0 GHADHM O=C(c1ccsc1)N1CCC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140988637 1023093154 /nfs/dbraw/zinc/09/31/54/1023093154.db2.gz GMLFGRGLLOIVDC-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C1N(CC2CCCC2)CCC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140989122 1023094718 /nfs/dbraw/zinc/09/47/18/1023094718.db2.gz WRWUTMKYULHCQV-UHFFFAOYSA-N -1 3 378.463 3.675 20 0 GHADHM O=C1OC2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)c2ccc(Cl)cc21 ZINC001140990607 1023102696 /nfs/dbraw/zinc/10/26/96/1023102696.db2.gz JMKBPVMGUDOMOU-UHFFFAOYSA-N -1 3 379.790 3.986 20 0 GHADHM COC(=O)c1ccc(CC2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)cc1 ZINC001140994255 1023116581 /nfs/dbraw/zinc/11/65/81/1023116581.db2.gz NQHWQUYQOQAXLO-UHFFFAOYSA-N -1 3 375.415 3.912 20 0 GHADHM CC(C)(C)c1ccc(-c2ccc(NC(=O)[N-]OCC(N)=O)c(Cl)c2)cc1 ZINC000755739155 1023358734 /nfs/dbraw/zinc/35/87/34/1023358734.db2.gz FSQRCINEDOYZEL-UHFFFAOYSA-N -1 3 375.856 3.843 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccc(F)cc1 ZINC001228855590 1033137276 /nfs/dbraw/zinc/13/72/76/1033137276.db2.gz NLLRYFJEUZKHCV-GOSISDBHSA-N -1 3 394.345 3.979 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001204898577 1033153083 /nfs/dbraw/zinc/15/30/83/1033153083.db2.gz XTJCZVHDLHTLLG-IBGZPJMESA-N -1 3 376.420 3.591 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001204898577 1033153089 /nfs/dbraw/zinc/15/30/89/1033153089.db2.gz XTJCZVHDLHTLLG-IBGZPJMESA-N -1 3 376.420 3.591 20 0 GHADHM O=C([N-]Cc1ccc(Oc2cccc(F)c2)nc1)C(F)(F)c1nccs1 ZINC000756676865 1023770936 /nfs/dbraw/zinc/77/09/36/1023770936.db2.gz GTTVMJRPKJXTAF-UHFFFAOYSA-N -1 3 379.363 3.878 20 0 GHADHM CC[C@](C)(COc1ncccc1Cl)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756721044 1023788528 /nfs/dbraw/zinc/78/85/28/1023788528.db2.gz QOTFCPZVAXSTNU-CQSZACIVSA-N -1 3 375.828 3.647 20 0 GHADHM CC1(C2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)OCCO1 ZINC000756768397 1023807354 /nfs/dbraw/zinc/80/73/54/1023807354.db2.gz ZXKVLKUWQUCIDO-UHFFFAOYSA-N -1 3 381.472 3.598 20 0 GHADHM CC[C@@H](CC(F)(F)F)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001138068180 1023982288 /nfs/dbraw/zinc/98/22/88/1023982288.db2.gz VVYSTOQAXDMLPF-VIFPVBQESA-N -1 3 391.187 3.751 20 0 GHADHM Cn1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nc2ccc(F)cc21 ZINC001138102925 1024094288 /nfs/dbraw/zinc/09/42/88/1024094288.db2.gz HGTZJBJDIUKUKV-UHFFFAOYSA-N -1 3 391.428 3.768 20 0 GHADHM O=C([O-])Cn1cc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c2ccccc21 ZINC001138193178 1024340618 /nfs/dbraw/zinc/34/06/18/1024340618.db2.gz RVYVOPIOJYOROV-INIZCTEOSA-N -1 3 386.398 3.657 20 0 GHADHM Cc1nc(CCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)oc1-c1ccccc1 ZINC000837507657 1024515153 /nfs/dbraw/zinc/51/51/53/1024515153.db2.gz LGIJEVDHPRRROK-UHFFFAOYSA-N -1 3 379.416 3.699 20 0 GHADHM O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC001461011911 1069334603 /nfs/dbraw/zinc/33/46/03/1069334603.db2.gz SXKWAZLXSVIZKM-UHFFFAOYSA-N -1 3 381.457 3.674 20 0 GHADHM COCc1nc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(-c2ccccc2)s1 ZINC000837704629 1024646752 /nfs/dbraw/zinc/64/67/52/1024646752.db2.gz JGWYWRGOGRXPMK-UHFFFAOYSA-N -1 3 397.456 3.687 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC(Oc4ncccn4)CC3)cc2)c1 ZINC001141357453 1024688838 /nfs/dbraw/zinc/68/88/38/1024688838.db2.gz QDZVZWZRHXDUDA-UHFFFAOYSA-N -1 3 389.455 3.885 20 0 GHADHM CCc1ccc(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC000837789686 1024716115 /nfs/dbraw/zinc/71/61/15/1024716115.db2.gz HOVWPYUKZDWOMD-HXUWFJFHSA-N -1 3 375.415 3.819 20 0 GHADHM [O-]c1cccnc1CN1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001138396690 1024773536 /nfs/dbraw/zinc/77/35/36/1024773536.db2.gz OIHCNDYEHVWFIW-UHFFFAOYSA-N -1 3 375.472 3.688 20 0 GHADHM CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000831873719 1024961720 /nfs/dbraw/zinc/96/17/20/1024961720.db2.gz OBHXWAUNIJOMBS-OAQYLSRUSA-N -1 3 393.462 3.576 20 0 GHADHM Cc1nc([C@@](C)(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C2CC2)no1 ZINC001141452113 1025091126 /nfs/dbraw/zinc/09/11/26/1025091126.db2.gz ZCEYAMKCVPAIAO-QHCPKHFHSA-N -1 3 391.471 3.924 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1(Cl)Cl ZINC000832147371 1025259303 /nfs/dbraw/zinc/25/93/03/1025259303.db2.gz FZJIWRZIOHAIET-SNVBAGLBSA-N -1 3 380.190 3.707 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000832226680 1025350859 /nfs/dbraw/zinc/35/08/59/1025350859.db2.gz DIPJQZLCLBLKGU-HXUWFJFHSA-N -1 3 392.521 3.587 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O)CC(F)(F)F ZINC001162060168 1025574734 /nfs/dbraw/zinc/57/47/34/1025574734.db2.gz OOPAKSATSDQKTN-QMMMGPOBSA-N -1 3 391.187 3.609 20 0 GHADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001138944463 1025626276 /nfs/dbraw/zinc/62/62/76/1025626276.db2.gz ZHRPNVKALKQGSQ-UHFFFAOYSA-N -1 3 382.855 3.524 20 0 GHADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001138944463 1025626283 /nfs/dbraw/zinc/62/62/83/1025626283.db2.gz ZHRPNVKALKQGSQ-UHFFFAOYSA-N -1 3 382.855 3.524 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC001162601999 1025823582 /nfs/dbraw/zinc/82/35/82/1025823582.db2.gz ZBSQQWWHDIZCNQ-MSOLQXFVSA-N -1 3 384.476 3.967 20 0 GHADHM CC(C)c1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC001141602374 1025831915 /nfs/dbraw/zinc/83/19/15/1025831915.db2.gz XGCTVMJEMMIEJK-UHFFFAOYSA-N -1 3 395.908 3.763 20 0 GHADHM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001141615917 1025906587 /nfs/dbraw/zinc/90/65/87/1025906587.db2.gz SOXRENBKUPRZRH-DHLKQENFSA-N -1 3 387.479 3.879 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162880196 1025951521 /nfs/dbraw/zinc/95/15/21/1025951521.db2.gz KKXREZXOBGCKJE-UHFFFAOYSA-N -1 3 398.488 3.973 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162880196 1025951528 /nfs/dbraw/zinc/95/15/28/1025951528.db2.gz KKXREZXOBGCKJE-UHFFFAOYSA-N -1 3 398.488 3.973 20 0 GHADHM CCc1cccc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c1[O-] ZINC000839827101 1026294990 /nfs/dbraw/zinc/29/49/90/1026294990.db2.gz WONYKYYHUVYPMB-MRXNPFEDSA-N -1 3 378.266 3.523 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)n1 ZINC001139456962 1026322242 /nfs/dbraw/zinc/32/22/42/1026322242.db2.gz FMFKAJSULLPEJU-UHFFFAOYSA-N -1 3 377.322 3.837 20 0 GHADHM COc1ccc2cc(C=CC(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)ccc2c1 ZINC001164262814 1026467825 /nfs/dbraw/zinc/46/78/25/1026467825.db2.gz XEXTYGQFFWXRRG-POHAHGRESA-N -1 3 377.444 3.717 20 0 GHADHM Cc1sc2nc(C)nc(NCCCc3c[n-][nH]c3=O)c2c1-c1ccccc1 ZINC001164371586 1026497105 /nfs/dbraw/zinc/49/71/05/1026497105.db2.gz FGLVDGSKALWFBJ-HNNXBMFYSA-N -1 3 379.489 3.899 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001164375262 1026498273 /nfs/dbraw/zinc/49/82/73/1026498273.db2.gz SLOYYHGIUHBXAP-GFCCVEGCSA-N -1 3 384.277 3.944 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1c(Br)ccc(C(F)(F)F)c1F ZINC001164394942 1026505951 /nfs/dbraw/zinc/50/59/51/1026505951.db2.gz IEWJYXAJIURPDM-SSDOTTSWSA-N -1 3 382.155 3.531 20 0 GHADHM C[C@H]1Cc2cccc(Br)c2CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139858059 1026671159 /nfs/dbraw/zinc/67/11/59/1026671159.db2.gz VERBYNPGUCKLFU-LBPRGKRZSA-N -1 3 384.281 3.576 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000834376421 1026960168 /nfs/dbraw/zinc/96/01/68/1026960168.db2.gz PEYBVZWFNXRENR-HXUWFJFHSA-N -1 3 392.521 3.730 20 0 GHADHM CCCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001461202629 1069441071 /nfs/dbraw/zinc/44/10/71/1069441071.db2.gz ZOABLWUZFNUDNK-UHFFFAOYSA-N -1 3 392.240 3.779 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC(C)C)cc1F)OCC ZINC001209834092 1027233203 /nfs/dbraw/zinc/23/32/03/1027233203.db2.gz AMOKXJSSAVHZGB-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c(C)c1 ZINC001141843553 1027414436 /nfs/dbraw/zinc/41/44/36/1027414436.db2.gz MJCAGTRRCMBCQZ-UHFFFAOYSA-N -1 3 391.475 3.707 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c(C)c1 ZINC001141843553 1027414448 /nfs/dbraw/zinc/41/44/48/1027414448.db2.gz MJCAGTRRCMBCQZ-UHFFFAOYSA-N -1 3 391.475 3.707 20 0 GHADHM CC(C)(C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001141846273 1027421656 /nfs/dbraw/zinc/42/16/56/1027421656.db2.gz STVTWVLHFYZCEB-UHFFFAOYSA-N -1 3 389.381 3.726 20 0 GHADHM CC(C)(C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001141846273 1027421670 /nfs/dbraw/zinc/42/16/70/1027421670.db2.gz STVTWVLHFYZCEB-UHFFFAOYSA-N -1 3 389.381 3.726 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000840355126 1027475983 /nfs/dbraw/zinc/47/59/83/1027475983.db2.gz WUIOXVYKQVQABR-JQWIXIFHSA-N -1 3 387.793 3.612 20 0 GHADHM COC(=O)N=C([S-])N(c1cc(O)cc(C(F)(F)F)c1)c1ccccc1N ZINC001210826896 1027665480 /nfs/dbraw/zinc/66/54/80/1027665480.db2.gz NTTGRGVUYCXDSZ-UHFFFAOYSA-N -1 3 385.367 3.772 20 0 GHADHM COC([O-])=NC(=S)N(c1cc(O)cc(C(F)(F)F)c1)c1ccccc1N ZINC001210826896 1027665494 /nfs/dbraw/zinc/66/54/94/1027665494.db2.gz NTTGRGVUYCXDSZ-UHFFFAOYSA-N -1 3 385.367 3.772 20 0 GHADHM COC(=O)c1scc(S(=O)(=O)C(C)C)c1Nc1cccc([O-])c1Cl ZINC001210852212 1027679683 /nfs/dbraw/zinc/67/96/83/1027679683.db2.gz WQDDPJDJVALADX-UHFFFAOYSA-N -1 3 389.882 3.819 20 0 GHADHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCC(c2ccc(F)cc2)CC1 ZINC001211474393 1027977872 /nfs/dbraw/zinc/97/78/72/1027977872.db2.gz FEJAPCQMGWQAFV-RDNHFJJISA-N -1 3 390.546 3.583 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1(F)F ZINC001213148011 1028016812 /nfs/dbraw/zinc/01/68/12/1028016812.db2.gz KHRZLVOIECZGPL-LLVKDONJSA-N -1 3 388.661 3.816 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1(F)F ZINC001213148618 1028017274 /nfs/dbraw/zinc/01/72/74/1028017274.db2.gz YGNNUUCDAAWDSN-INIZCTEOSA-N -1 3 386.395 3.727 20 0 GHADHM Cc1cc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c(F)cc1Br ZINC001213259066 1028074249 /nfs/dbraw/zinc/07/42/49/1028074249.db2.gz NEACQFLBPBRLJO-UHFFFAOYSA-N -1 3 391.200 3.987 20 0 GHADHM [O-]c1c(F)cc(Nc2cnc(Br)c(Br)n2)cc1F ZINC001213377162 1028149543 /nfs/dbraw/zinc/14/95/43/1028149543.db2.gz ALBPEYIJGOKLNL-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142122305 1028189030 /nfs/dbraw/zinc/18/90/30/1028189030.db2.gz VTCHYAFZLWJQPA-QZTJIDSGSA-N -1 3 396.270 3.814 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]CC(=O)c1cc2ccccc2s1)C1CCCCC1 ZINC001213456233 1028201267 /nfs/dbraw/zinc/20/12/67/1028201267.db2.gz ISKUWDOEPHGFLI-QGZVFWFLSA-N -1 3 395.546 3.599 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001213711471 1028343870 /nfs/dbraw/zinc/34/38/70/1028343870.db2.gz GFBSUZBKPVZFQG-RCWTZXSCSA-N -1 3 378.719 3.673 20 0 GHADHM O=S(=O)([N-]CCC(F)F)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001214039218 1028517412 /nfs/dbraw/zinc/51/74/12/1028517412.db2.gz MBKNYNKVQQWTPC-UHFFFAOYSA-N -1 3 386.367 3.762 20 0 GHADHM Cc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([O-])c1 ZINC001142346461 1028728282 /nfs/dbraw/zinc/72/82/82/1028728282.db2.gz MMBDUNSPMCZCIT-UHFFFAOYSA-N -1 3 375.350 3.835 20 0 GHADHM CC(C)Oc1cc(Br)ccc1-c1noc(-c2ccc([O-])c(=O)[nH]2)n1 ZINC001214536236 1028780983 /nfs/dbraw/zinc/78/09/83/1028780983.db2.gz YZJTZJPVQDSBSR-UHFFFAOYSA-N -1 3 392.209 3.760 20 0 GHADHM Nc1ncc(Br)nc1N(CC1CC1)c1c(Cl)ccc([O-])c1F ZINC001214556597 1028791707 /nfs/dbraw/zinc/79/17/07/1028791707.db2.gz ZLHHBRRIVRMXRD-UHFFFAOYSA-N -1 3 387.640 3.868 20 0 GHADHM COc1cc2cc(C(N)=O)c(Nc3c(Cl)ccc([O-])c3F)nc2cc1OC ZINC001214557609 1028792871 /nfs/dbraw/zinc/79/28/71/1028792871.db2.gz DMUZEWWUBWCZML-UHFFFAOYSA-N -1 3 391.786 3.593 20 0 GHADHM COc1c(F)cc([N-]S(=O)(=O)c2ccc(N)c(C)c2)cc1C(F)(F)F ZINC001214639340 1028830375 /nfs/dbraw/zinc/83/03/75/1028830375.db2.gz DXTOZDMHPRRYIA-UHFFFAOYSA-N -1 3 378.347 3.545 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(cccc2NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000841695860 1028848653 /nfs/dbraw/zinc/84/86/53/1028848653.db2.gz WUAUDXIUBUDZKS-UHFFFAOYSA-N -1 3 396.491 3.965 20 0 GHADHM O=C([O-])[C@@H](NCc1sc(Sc2ccccc2)nc1Cl)[C@@H]1CCOC1 ZINC000841808195 1028957227 /nfs/dbraw/zinc/95/72/27/1028957227.db2.gz ZHJBOOLMJCOYPZ-MFKMUULPSA-N -1 3 384.910 3.527 20 0 GHADHM Cc1ccc(C[C@H](NCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])cc1C ZINC000841822282 1028967124 /nfs/dbraw/zinc/96/71/24/1028967124.db2.gz NNTNNGUHYPNRNA-FQEVSTJZSA-N -1 3 397.906 3.987 20 0 GHADHM COc1cccc(-c2nc(-c3ccccc3CN3CCSC3=O)no2)c1[O-] ZINC001215143894 1029056906 /nfs/dbraw/zinc/05/69/06/1029056906.db2.gz YSWXYQNPBDWUJD-UHFFFAOYSA-N -1 3 383.429 3.787 20 0 GHADHM C[C@H](CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)S(C)(=O)=O ZINC000842169515 1029122005 /nfs/dbraw/zinc/12/20/05/1029122005.db2.gz KFDPAXKYAOIBBJ-ZJUUUORDSA-N -1 3 398.531 3.884 20 0 GHADHM COc1cc(-c2noc(-c3c([O-])cccc3O)n2)cc(Br)c1OC ZINC001215301667 1029139456 /nfs/dbraw/zinc/13/94/56/1029139456.db2.gz DVTCAKBLXIAGGV-UHFFFAOYSA-N -1 3 393.193 3.595 20 0 GHADHM Cc1c([C@@H](C)NCc2cc(=O)oc3cc([O-])ccc23)cnn1-c1ccc(F)cc1 ZINC000182996858 1029221620 /nfs/dbraw/zinc/22/16/20/1029221620.db2.gz WNNXYVOVVYLSIG-CYBMUJFWSA-N -1 3 393.418 3.983 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(F)(F)F ZINC000402245823 1029251630 /nfs/dbraw/zinc/25/16/30/1029251630.db2.gz FKMYWXFXIAMLNK-QMMMGPOBSA-N -1 3 392.212 3.845 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cnc(SC)c(Cl)c1)OCC ZINC001216026410 1029499971 /nfs/dbraw/zinc/49/99/71/1029499971.db2.gz JKAQAWFYJSRECM-UHFFFAOYSA-N -1 3 384.889 3.638 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3c([O-])cc(C)cc3O)n2)c1 ZINC001216271578 1029590252 /nfs/dbraw/zinc/59/02/52/1029590252.db2.gz GBEIPRREYCUTLQ-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM COc1ccc(C(=O)NCC(C)(C)c2cccc(Br)c2)c([O-])c1 ZINC001143019950 1029786494 /nfs/dbraw/zinc/78/64/94/1029786494.db2.gz MFDYJOYQNXCUAD-UHFFFAOYSA-N -1 3 378.266 3.871 20 0 GHADHM CCOc1ccc(Br)cc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216735827 1029911332 /nfs/dbraw/zinc/91/13/32/1029911332.db2.gz YMVOMRQJESGKSJ-UHFFFAOYSA-N -1 3 377.194 3.976 20 0 GHADHM CN(C)c1ccc(Br)cc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216736913 1029912835 /nfs/dbraw/zinc/91/28/35/1029912835.db2.gz MBCSJTXUHQFBFH-UHFFFAOYSA-N -1 3 376.210 3.643 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3ccc(Br)c(C)n3)no2)cc1OC ZINC001216745187 1029915943 /nfs/dbraw/zinc/91/59/43/1029915943.db2.gz ZJQFYDAROOYMSH-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)c1C ZINC001216962710 1030035507 /nfs/dbraw/zinc/03/55/07/1030035507.db2.gz ZELPEOGXJZXOHG-UHFFFAOYSA-N -1 3 389.411 3.507 20 0 GHADHM [O-]c1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c(C(F)(F)F)c1 ZINC001216983312 1030051639 /nfs/dbraw/zinc/05/16/39/1030051639.db2.gz RTSDWKOMCDFONK-UHFFFAOYSA-N -1 3 391.349 3.965 20 0 GHADHM COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149197750 1030089309 /nfs/dbraw/zinc/08/93/09/1030089309.db2.gz OWEGLTKLIZSNCY-HNNXBMFYSA-N -1 3 392.455 3.843 20 0 GHADHM O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc2cccnc2c1[O-] ZINC001149326184 1030134233 /nfs/dbraw/zinc/13/42/33/1030134233.db2.gz BYNFNNBOVKVVLS-UHFFFAOYSA-N -1 3 380.835 3.833 20 0 GHADHM COc1ccccc1-c1noc(-c2cc([O-])cc(I)c2)n1 ZINC001217065304 1030138449 /nfs/dbraw/zinc/13/84/49/1030138449.db2.gz CSULHPVKWKGUNB-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001149982011 1030369404 /nfs/dbraw/zinc/36/94/04/1030369404.db2.gz HBUPMABIKMYLEL-QFIPXVFZSA-N -1 3 395.430 3.503 20 0 GHADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001217453255 1030406767 /nfs/dbraw/zinc/40/67/67/1030406767.db2.gz OZSXAKJALYPLHJ-UHFFFAOYSA-N -1 3 389.411 3.805 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccncc4Br)no3)c2c1 ZINC001217499471 1030441993 /nfs/dbraw/zinc/44/19/93/1030441993.db2.gz HZYYIMOHZHFYOA-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001217637187 1030559681 /nfs/dbraw/zinc/55/96/81/1030559681.db2.gz PTAHKKQECCJNPG-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM O=C(CCc1ccccc1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001152111887 1031106396 /nfs/dbraw/zinc/10/63/96/1031106396.db2.gz WSXTVHUPKZSOOQ-MRXNPFEDSA-N -1 3 390.405 3.818 20 0 GHADHM N[C@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(Cl)c1Cl ZINC001219550299 1031495876 /nfs/dbraw/zinc/49/58/76/1031495876.db2.gz VVIPIKZQHIIQIS-OAHLLOKOSA-N -1 3 391.258 3.913 20 0 GHADHM Cc1c2ccccc2sc1[C@@H](C)NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001225784817 1031603105 /nfs/dbraw/zinc/60/31/05/1031603105.db2.gz RBYFEBPEMLQJPP-LLVKDONJSA-N -1 3 399.438 3.591 20 0 GHADHM C[C@@H]1C[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CN1C(=O)OC(C)(C)C ZINC001225853815 1031653036 /nfs/dbraw/zinc/65/30/36/1031653036.db2.gz RHQIDZWZZIJEHP-RKDXNWHRSA-N -1 3 379.404 3.561 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC(Oc3cc(C(F)(F)F)[n-]c(=S)n3)C2)C1 ZINC001225852484 1031653185 /nfs/dbraw/zinc/65/31/85/1031653185.db2.gz KQRQXSAKZAADJA-UHFFFAOYSA-N -1 3 391.415 3.562 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117306 1031795355 /nfs/dbraw/zinc/79/53/55/1031795355.db2.gz KPAXLEXXGCVSPZ-KUHUBIRLSA-N -1 3 377.510 3.811 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3ccccc3-c3nnn[n-]3)[nH]c21 ZINC001153967549 1031843896 /nfs/dbraw/zinc/84/38/96/1031843896.db2.gz NYJNREVTFGLRRH-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3ccccc3-c3nn[n-]n3)[nH]c21 ZINC001153967549 1031843914 /nfs/dbraw/zinc/84/39/14/1031843914.db2.gz NYJNREVTFGLRRH-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC001154020046 1031878444 /nfs/dbraw/zinc/87/84/44/1031878444.db2.gz ZMCFWDBPDNNTQA-RMKNXTFCSA-N -1 3 388.467 3.722 20 0 GHADHM COC(=O)[C@H]1CCc2cc(NC(=O)c3c([O-])cc4ccccc4c3O)ccc21 ZINC001154027872 1031884397 /nfs/dbraw/zinc/88/43/97/1031884397.db2.gz FXLAXKAGXACKJT-KRWDZBQOSA-N -1 3 377.396 3.706 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1c(F)cccc1F ZINC001154100914 1031927124 /nfs/dbraw/zinc/92/71/24/1031927124.db2.gz ZFGVKYZRUHPSQX-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cnc(C2CC2)s1 ZINC001154104878 1031929219 /nfs/dbraw/zinc/92/92/19/1031929219.db2.gz XASNATHQGPSIAL-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)[n-]c2c1 ZINC001154119156 1031937517 /nfs/dbraw/zinc/93/75/17/1031937517.db2.gz HKGVUOJYKRCFIP-UHFFFAOYSA-N -1 3 382.847 3.652 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cnc4cc(Cl)ccc4c3)[n-]nc21 ZINC001154141759 1031949830 /nfs/dbraw/zinc/94/98/30/1031949830.db2.gz KAGDNHGCYOMXAY-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cnc4cc(Cl)ccc4c3)n[n-]c21 ZINC001154141759 1031949834 /nfs/dbraw/zinc/94/98/34/1031949834.db2.gz KAGDNHGCYOMXAY-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)OC(C)(C)C)c1O ZINC001226478918 1031974052 /nfs/dbraw/zinc/97/40/52/1031974052.db2.gz JRWQFAHJVUVBPQ-JMGFVUJMSA-N -1 3 395.427 3.558 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3c([O-])ccc4ccc(=O)oc43)[C@H]2C1 ZINC001226598078 1032034042 /nfs/dbraw/zinc/03/40/42/1032034042.db2.gz ADRLRRABJKWGFG-OFQRWUPVSA-N -1 3 387.432 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2cccc([O-])c2Br)C(F)(F)C1 ZINC001229140245 1033302808 /nfs/dbraw/zinc/30/28/08/1033302808.db2.gz YNRUVLNCQUHEPR-NSHDSACASA-N -1 3 394.212 3.788 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2Oc1cccc([O-])c1Br ZINC001229140760 1033303696 /nfs/dbraw/zinc/30/36/96/1033303696.db2.gz DYVPRGCHDUGXIT-UEKVPHQBSA-N -1 3 384.270 3.931 20 0 GHADHM COc1ccc(-c2cc(=O)c3c(cc([O-])c(OC)c3O[C@@H](C)CN(C)C)o2)cc1 ZINC001229211577 1033346608 /nfs/dbraw/zinc/34/66/08/1033346608.db2.gz FFALFUJDHLIMNM-ZDUSSCGKSA-N -1 3 399.443 3.512 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2ccc3c(ccnc3Cl)c2)c1[O-] ZINC001157030953 1033376878 /nfs/dbraw/zinc/37/68/78/1033376878.db2.gz PJTKCCYKBYNCCY-UHFFFAOYSA-N -1 3 379.794 3.629 20 0 GHADHM O=C([N-]c1nc(F)cc(C(F)(F)F)c1F)c1nc(Cl)nc2[nH]ccc21 ZINC001157115467 1033419127 /nfs/dbraw/zinc/41/91/27/1033419127.db2.gz LSDYMCFSCKLPAF-UHFFFAOYSA-N -1 3 377.660 3.507 20 0 GHADHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccc3c2cccc3S(=O)(=O)[O-])C1 ZINC001229352548 1033431831 /nfs/dbraw/zinc/43/18/31/1033431831.db2.gz FPXPFERRXMBXSL-JKSUJKDBSA-N -1 3 398.484 3.696 20 0 GHADHM CCOCC(COCC)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229812021 1033734405 /nfs/dbraw/zinc/73/44/05/1033734405.db2.gz VVOAJLZNIYQFHN-UHFFFAOYSA-N -1 3 376.449 3.885 20 0 GHADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1N1CCOCC1=O ZINC001157750050 1033752108 /nfs/dbraw/zinc/75/21/08/1033752108.db2.gz WAVDCBSQMGIJRE-UHFFFAOYSA-N -1 3 382.441 3.531 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1[O-] ZINC001157756892 1033755275 /nfs/dbraw/zinc/75/52/75/1033755275.db2.gz FBUGXJPCJDDYJS-IBGZPJMESA-N -1 3 383.444 3.716 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001230097072 1033897314 /nfs/dbraw/zinc/89/73/14/1033897314.db2.gz LRHVRBHRJRZESD-CVEARBPZSA-N -1 3 391.478 3.693 20 0 GHADHM O=c1nc2cccc(F)c2c(O[C@@H]2COc3c2cccc3Br)[n-]1 ZINC001231073623 1034378571 /nfs/dbraw/zinc/37/85/71/1034378571.db2.gz HSULBITUUHYAQN-GFCCVEGCSA-N -1 3 377.169 3.750 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4cccc(F)c43)C[C@@H]21 ZINC001231074762 1034380484 /nfs/dbraw/zinc/38/04/84/1034380484.db2.gz SMCGHIFNDHCGMN-JMSVASOKSA-N -1 3 389.427 3.641 20 0 GHADHM CC(=O)[C@H](C)Oc1c(C)cc(S(=O)(=O)c2cc(C)c([O-])c(C)c2)cc1C ZINC001231199260 1034458555 /nfs/dbraw/zinc/45/85/55/1034458555.db2.gz AXOCOTUNXMMCQV-INIZCTEOSA-N -1 3 376.474 3.815 20 0 GHADHM CC1(CC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CCCCC1 ZINC001276546305 1034591659 /nfs/dbraw/zinc/59/16/59/1034591659.db2.gz NRELOWZRHKQQAX-HNNXBMFYSA-N -1 3 382.426 3.983 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC001231527842 1034680378 /nfs/dbraw/zinc/68/03/78/1034680378.db2.gz SZIKKGAZHHSZDK-MRXNPFEDSA-N -1 3 396.384 3.945 20 0 GHADHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC001208040629 1034714832 /nfs/dbraw/zinc/71/48/32/1034714832.db2.gz MUHNSFRGFYZGPH-UHFFFAOYSA-N -1 3 398.513 3.528 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(F)c1F ZINC001208044014 1034715824 /nfs/dbraw/zinc/71/58/24/1034715824.db2.gz URPHWFZMBHKQTI-LJQANCHMSA-N -1 3 397.443 3.720 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCCC1)c1csnc1-c1ccccc1 ZINC001208061338 1034723537 /nfs/dbraw/zinc/72/35/37/1034723537.db2.gz ODNGKIHRRAPDRW-UHFFFAOYSA-N -1 3 380.535 3.828 20 0 GHADHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277549420 1034826912 /nfs/dbraw/zinc/82/69/12/1034826912.db2.gz ZZYKKLHXWFFHIU-LIRRHRJNSA-N -1 3 395.341 3.910 20 0 GHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2s1)c1cccs1 ZINC001208237717 1034827428 /nfs/dbraw/zinc/82/74/28/1034827428.db2.gz QIUUUXFWUHPGLG-LBPRGKRZSA-N -1 3 381.500 3.546 20 0 GHADHM COC[C@H]1Cn2nccc2CN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231679257 1034830248 /nfs/dbraw/zinc/83/02/48/1034830248.db2.gz ZHKHDDDXOLZDDT-QGZVFWFLSA-N -1 3 391.471 3.527 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)sc1Cl ZINC001208307817 1034854870 /nfs/dbraw/zinc/85/48/70/1034854870.db2.gz JNUZTWJDFJTFRM-OAHLLOKOSA-N -1 3 384.954 3.653 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2csc3ccccc23)c1 ZINC001208365912 1034871739 /nfs/dbraw/zinc/87/17/39/1034871739.db2.gz PUDMUTLATLRLBN-UHFFFAOYSA-N -1 3 393.461 3.696 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1ccc(C(F)(F)F)nc1Cl ZINC001208375409 1034875166 /nfs/dbraw/zinc/87/51/66/1034875166.db2.gz GQEUXWLHZOJVIR-UHFFFAOYSA-N -1 3 390.770 3.979 20 0 GHADHM COc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)cc1C(=O)[O-] ZINC001231749332 1034879177 /nfs/dbraw/zinc/87/91/77/1034879177.db2.gz ACVKMYRLQHODMW-GDBMZVCRSA-N -1 3 392.496 3.519 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC(c2noc3ccc(F)cc32)CC1 ZINC001231792743 1034912282 /nfs/dbraw/zinc/91/22/82/1034912282.db2.gz JBMDWEFZFOQORB-UHFFFAOYSA-N -1 3 384.407 3.810 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(Cl)c(N)c(Cl)c1)c2=O ZINC001160415627 1034966976 /nfs/dbraw/zinc/96/69/76/1034966976.db2.gz BCCXXKVWKORBGC-UHFFFAOYSA-N -1 3 378.215 3.678 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(-c4cccc(F)c4)s3)c([O-])cc21 ZINC001160468628 1034984351 /nfs/dbraw/zinc/98/43/51/1034984351.db2.gz MYEKXPPISPKLKK-UHFFFAOYSA-N -1 3 397.431 3.703 20 0 GHADHM CCOCCOCc1cccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1 ZINC001160593116 1035012901 /nfs/dbraw/zinc/01/29/01/1035012901.db2.gz MLVIFELNIMZTJT-UHFFFAOYSA-N -1 3 380.444 3.642 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)ns1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001160605705 1035015017 /nfs/dbraw/zinc/01/50/17/1035015017.db2.gz WGUDQNSYBWQAIO-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM Cc1ccc(-c2[nH]nc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)c2C)o1 ZINC001160910262 1035091897 /nfs/dbraw/zinc/09/18/97/1035091897.db2.gz ZXPKBXKAODPUSP-UHFFFAOYSA-N -1 3 384.342 3.659 20 0 GHADHM CCCOc1nc2ccccc2cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001160948942 1035102098 /nfs/dbraw/zinc/10/20/98/1035102098.db2.gz SNAHVDZYYGPQGW-UHFFFAOYSA-N -1 3 377.404 3.962 20 0 GHADHM CCn1c2cc(Br)ccc2nc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001161092993 1035139202 /nfs/dbraw/zinc/13/92/02/1035139202.db2.gz SIHBVXBWOPVVNU-UHFFFAOYSA-N -1 3 392.228 3.845 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001161706274 1035287820 /nfs/dbraw/zinc/28/78/20/1035287820.db2.gz UEUOSMSQEANGOM-MISYRCLQSA-N -1 3 394.515 3.909 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccn4c(Br)cnc4c3)no2)c(F)c1 ZINC001248143115 1035563334 /nfs/dbraw/zinc/56/33/34/1035563334.db2.gz GCTAYIXNOMLRPJ-UHFFFAOYSA-N -1 3 389.184 3.582 20 0 GHADHM CC(C)S(=O)(=O)c1ccccc1[N-]C(=S)NC(=O)c1ccc(Cl)cc1 ZINC001248186952 1035614306 /nfs/dbraw/zinc/61/43/06/1035614306.db2.gz POZDVUSDQHHBRI-UHFFFAOYSA-N -1 3 396.921 3.649 20 0 GHADHM O=C(NCc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1)c1ccccc1[O-] ZINC001248499430 1035917939 /nfs/dbraw/zinc/91/79/39/1035917939.db2.gz DGEJHWAHOJBQAA-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM CCc1cccc(CC)c1NC(=S)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001248665114 1036039436 /nfs/dbraw/zinc/03/94/36/1036039436.db2.gz ZLVKLPPPCQZVBK-UHFFFAOYSA-N -1 3 387.471 3.651 20 0 GHADHM CN1CCN(c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001243608349 1036218245 /nfs/dbraw/zinc/21/82/45/1036218245.db2.gz HTUAZGSHQMNJER-UHFFFAOYSA-N -1 3 388.393 3.773 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC001245123331 1036767652 /nfs/dbraw/zinc/76/76/52/1036767652.db2.gz DYPYPGGDCGBIPO-UHFFFAOYSA-N -1 3 385.427 3.819 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC001245123331 1036767672 /nfs/dbraw/zinc/76/76/72/1036767672.db2.gz DYPYPGGDCGBIPO-UHFFFAOYSA-N -1 3 385.427 3.819 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OC(C)(C)C(C)(C)O)cc2C)cc1-c1nnn[n-]1 ZINC001245164011 1036791571 /nfs/dbraw/zinc/79/15/71/1036791571.db2.gz FXFWHDIFPBRKEW-UHFFFAOYSA-N -1 3 394.475 3.857 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)OC(C)(C)C(C)(C)O)cc2C)cc1-c1nn[n-]n1 ZINC001245164011 1036791595 /nfs/dbraw/zinc/79/15/95/1036791595.db2.gz FXFWHDIFPBRKEW-UHFFFAOYSA-N -1 3 394.475 3.857 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2ccc(Br)cc2F)no1 ZINC001247263835 1038041995 /nfs/dbraw/zinc/04/19/95/1038041995.db2.gz VERYMDCBMZPZKV-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM Cc1c(Br)cncc1-c1noc(C(=O)[N-]c2ccc(Cl)cn2)n1 ZINC001247265891 1038043558 /nfs/dbraw/zinc/04/35/58/1038043558.db2.gz UQBNVXMUKKAWJO-UHFFFAOYSA-N -1 3 394.616 3.503 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1Cl ZINC001232786393 1038553661 /nfs/dbraw/zinc/55/36/61/1038553661.db2.gz WLJVABYRPQBKEW-WIYYLYMNSA-N -1 3 388.895 3.891 20 0 GHADHM Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc([O-])c3F)O2)cs1 ZINC001233052731 1038810665 /nfs/dbraw/zinc/81/06/65/1038810665.db2.gz VCEONHGLNYAECQ-ZHALLVOQSA-N -1 3 392.496 3.635 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Br)cc1 ZINC001252102597 1038858765 /nfs/dbraw/zinc/85/87/65/1038858765.db2.gz QJCYJTHCJCGDOG-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233395467 1039231111 /nfs/dbraw/zinc/23/11/11/1039231111.db2.gz YSVAFSIJKYZGRA-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM COc1ccc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(Cl)c1[O-] ZINC001233400327 1039241577 /nfs/dbraw/zinc/24/15/77/1039241577.db2.gz DFMVZRDOIBGAJJ-UHFFFAOYSA-N -1 3 384.904 3.933 20 0 GHADHM COc1ccc(CN2CCC(Oc3ccc(Cl)nn3)CC2)c(Cl)c1[O-] ZINC001233401376 1039243573 /nfs/dbraw/zinc/24/35/73/1039243573.db2.gz XJXKCPQADHYROW-UHFFFAOYSA-N -1 3 384.263 3.541 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3[O-])nn2)CC1 ZINC001254165331 1040017913 /nfs/dbraw/zinc/01/79/13/1040017913.db2.gz XBELCINSLSRVTQ-UHFFFAOYSA-N -1 3 378.860 3.741 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)NC3(C)C)c1C ZINC001254166576 1040020070 /nfs/dbraw/zinc/02/00/70/1040020070.db2.gz GJONEHGFCMBHAQ-UHFFFAOYSA-N -1 3 386.517 3.628 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H]1CC(F)(F)C1(F)F ZINC001234608449 1040164864 /nfs/dbraw/zinc/16/48/64/1040164864.db2.gz KHYLAMHEFCPCAZ-MRVPVSSYSA-N -1 3 387.123 3.753 20 0 GHADHM COc1cc([O-])c(C)c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1C(C)=O ZINC001234793189 1040323934 /nfs/dbraw/zinc/32/39/34/1040323934.db2.gz NEDANOAUCHGXPX-LJQANCHMSA-N -1 3 399.487 3.582 20 0 GHADHM CCOc1ccc(-c2nnc(-c3cc(OC)c(OC)cc3[O-])o2)cc1OCC ZINC001255041998 1040747228 /nfs/dbraw/zinc/74/72/28/1040747228.db2.gz DWMJHRNJECPQGC-UHFFFAOYSA-N -1 3 386.404 3.924 20 0 GHADHM O=S(=O)(c1ccccc1)n1ccc2c1ncnc2-c1cc([O-])cc(Cl)c1 ZINC001235899760 1041419909 /nfs/dbraw/zinc/41/99/09/1041419909.db2.gz KCCQTRORDNSBCI-UHFFFAOYSA-N -1 3 385.832 3.694 20 0 GHADHM O=C([O-])c1nnc(-c2cccc(CN3CCCCC3)c2F)cc1C(F)(F)F ZINC001236012722 1041506660 /nfs/dbraw/zinc/50/66/60/1041506660.db2.gz ULQVZSLAZCBGCD-UHFFFAOYSA-N -1 3 383.345 3.986 20 0 GHADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(F)cc3F)cs2)cc1 ZINC001256094673 1041523707 /nfs/dbraw/zinc/52/37/07/1041523707.db2.gz QUVMRJHHZHKPKQ-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1ccc(Br)c([O-])c1 ZINC001236684586 1041830743 /nfs/dbraw/zinc/83/07/43/1041830743.db2.gz UFYMAKPYUVORSA-CABCVRRESA-N -1 3 397.313 3.738 20 0 GHADHM [O-]c1cc(CN2CCN(Cc3cccc(F)c3)CC2)ccc1Br ZINC001236686490 1041831119 /nfs/dbraw/zinc/83/11/19/1041831119.db2.gz YFYKEOHLULLXSD-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236688721 1041833488 /nfs/dbraw/zinc/83/34/88/1041833488.db2.gz ZWKHDLWXCVUTQX-UHFFFAOYSA-N -1 3 397.313 3.644 20 0 GHADHM COc1cccc(OC2CCN(Cc3ccc(Br)c([O-])c3)CC2)n1 ZINC001236693705 1041835799 /nfs/dbraw/zinc/83/57/99/1041835799.db2.gz CYRTYQKCUGMDTN-UHFFFAOYSA-N -1 3 393.281 3.602 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1ccc(Br)c([O-])c1 ZINC001236692992 1041836038 /nfs/dbraw/zinc/83/60/38/1041836038.db2.gz VLXWJKXSNLIDBB-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM [O-]c1cc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)ccc1F ZINC001236703415 1041842153 /nfs/dbraw/zinc/84/21/53/1041842153.db2.gz WNRSLUAMAXSYNL-GOSISDBHSA-N -1 3 385.483 3.664 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237006778 1041987920 /nfs/dbraw/zinc/98/79/20/1041987920.db2.gz IOGPQKISUQKZHZ-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM CCN(Cc1ccc(C)cc1Br)Cc1c([O-])c(C)ncc1CO ZINC001462593376 1070397469 /nfs/dbraw/zinc/39/74/69/1070397469.db2.gz HTLVVCKPRACSFU-UHFFFAOYSA-N -1 3 379.298 3.681 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1ccc(C2CCCCC2)cc1 ZINC001237546916 1042258207 /nfs/dbraw/zinc/25/82/07/1042258207.db2.gz FMZIFNSDYCOJGJ-KRWDZBQOSA-N -1 3 375.494 3.948 20 0 GHADHM Cc1c(Cl)c(Br)ccc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC001237630070 1042294861 /nfs/dbraw/zinc/29/48/61/1042294861.db2.gz QSMKKNSYRKLCSX-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM Nc1ccc(Br)c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1 ZINC001237775913 1042363879 /nfs/dbraw/zinc/36/38/79/1042363879.db2.gz NKWZDJZMTCQKGL-UHFFFAOYSA-N -1 3 397.628 3.764 20 0 GHADHM Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(Cl)c([O-])cc4F)CCN3C2)cc1 ZINC001238147788 1042504254 /nfs/dbraw/zinc/50/42/54/1042504254.db2.gz LSEWHMJYAXBSIA-WMZOPIPTSA-N -1 3 390.886 3.831 20 0 GHADHM O=C1NC[C@H](c2ccccc2)C12CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001238148499 1042504637 /nfs/dbraw/zinc/50/46/37/1042504637.db2.gz VDPSMWHUDKEXJA-MRXNPFEDSA-N -1 3 388.870 3.681 20 0 GHADHM CCOC(=O)[C@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@H]1c1ccccc1 ZINC001238237844 1042528767 /nfs/dbraw/zinc/52/87/67/1042528767.db2.gz HTBPAWDTUWYNFU-ICSRJNTNSA-N -1 3 385.435 3.693 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cnc1-c1ccccc1 ZINC001238618645 1042660696 /nfs/dbraw/zinc/66/06/96/1042660696.db2.gz QXHJPGDZSKVRKQ-UHFFFAOYSA-N -1 3 387.483 3.721 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c(F)c1F ZINC001462770944 1070535378 /nfs/dbraw/zinc/53/53/78/1070535378.db2.gz HIFHCKRYGNNJAH-JTQLQIEISA-N -1 3 377.359 3.914 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1Cl ZINC001257306834 1043962262 /nfs/dbraw/zinc/96/22/62/1043962262.db2.gz UGZXWWGTLPINGV-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COc1ncccc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C1CC1 ZINC001257536929 1044034338 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COc1cccc([O-])c1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001293792867 1044330777 /nfs/dbraw/zinc/33/07/77/1044330777.db2.gz KOWIXCUJMFOEQJ-UHFFFAOYSA-N -1 3 390.277 3.967 20 0 GHADHM CCn1ccnc1CN1CCC2(CN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1 ZINC001279081087 1044456172 /nfs/dbraw/zinc/45/61/72/1044456172.db2.gz DRNJBUHMTZHAFB-UHFFFAOYSA-N -1 3 395.334 3.623 20 0 GHADHM Cc1ncsc1CN1CCC12CN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001279083217 1044472192 /nfs/dbraw/zinc/47/21/92/1044472192.db2.gz AABYRSVUXYZMSV-UHFFFAOYSA-N -1 3 384.332 3.924 20 0 GHADHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294426980 1044620766 /nfs/dbraw/zinc/62/07/66/1044620766.db2.gz IGQFUXSSVCZMCC-UWVGGRQHSA-N -1 3 388.336 3.905 20 0 GHADHM O=C(NC[C@H](O)c1ccccc1F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001294562573 1044706252 /nfs/dbraw/zinc/70/62/52/1044706252.db2.gz MODDPKHQVCZCRD-QFIPXVFZSA-N -1 3 379.431 3.780 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(OCC2CCCCC2)c1 ZINC001258762196 1044750904 /nfs/dbraw/zinc/75/09/04/1044750904.db2.gz QSRGROMOIJQENR-UHFFFAOYSA-N -1 3 378.494 3.729 20 0 GHADHM CCCc1ccc(CCCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001294673915 1044759049 /nfs/dbraw/zinc/75/90/49/1044759049.db2.gz VMHPYTHWBDSQRE-UHFFFAOYSA-N -1 3 394.515 3.652 20 0 GHADHM O=c1cc(C(F)(F)F)[nH]cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258833441 1044777631 /nfs/dbraw/zinc/77/76/31/1044777631.db2.gz SPFCZUQHJLZWTB-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cnccc1-c1ccccc1)C(=O)C2 ZINC001258978965 1044916547 /nfs/dbraw/zinc/91/65/47/1044916547.db2.gz CWWDDMRIJIKLSE-IIBYNOLFSA-N -1 3 384.501 3.886 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc3c(c1)CCCCC3=O)C(=O)C2 ZINC001258986868 1044920007 /nfs/dbraw/zinc/92/00/07/1044920007.db2.gz HUONCCNBLOVWNY-QVKFZJNVSA-N -1 3 389.517 3.733 20 0 GHADHM CC(C)(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259062005 1044943107 /nfs/dbraw/zinc/94/31/07/1044943107.db2.gz HFRBIOBVXATDLQ-UHFFFAOYSA-N -1 3 392.315 3.949 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC001259136513 1044976871 /nfs/dbraw/zinc/97/68/71/1044976871.db2.gz AOJMLDOHBAPEJN-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM CC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC001295351649 1044986820 /nfs/dbraw/zinc/98/68/20/1044986820.db2.gz XKPPKWHHOUPMQC-AWEZNQCLSA-N -1 3 392.246 3.942 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC001259312222 1045071040 /nfs/dbraw/zinc/07/10/40/1045071040.db2.gz ZBANYZRDZKFMTO-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1ccc2c(c1)CCO2 ZINC001259357149 1045098806 /nfs/dbraw/zinc/09/88/06/1045098806.db2.gz QEEARDKZIAAQEJ-UHFFFAOYSA-N -1 3 379.306 3.719 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369735 1045104119 /nfs/dbraw/zinc/10/41/19/1045104119.db2.gz QQWMHTWWKKAESY-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccc(-n2cccn2)cc1 ZINC001259369569 1045104282 /nfs/dbraw/zinc/10/42/82/1045104282.db2.gz IUVLSPJZUSHELW-UHFFFAOYSA-N -1 3 390.877 3.936 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c([O-])c1 ZINC001295700568 1045108764 /nfs/dbraw/zinc/10/87/64/1045108764.db2.gz IGZNQPKOZAGYSL-KRWDZBQOSA-N -1 3 390.842 3.843 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001462890589 1070630305 /nfs/dbraw/zinc/63/03/05/1070630305.db2.gz WQYIHQLAVLDVHZ-SNVBAGLBSA-N -1 3 395.349 3.773 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(Cl)s1 ZINC001259463525 1045178058 /nfs/dbraw/zinc/17/80/58/1045178058.db2.gz HTVVUOQMISFCTM-UHFFFAOYSA-N -1 3 384.237 3.781 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Nc1ccc2ccccc2c1 ZINC001259514569 1045216603 /nfs/dbraw/zinc/21/66/03/1045216603.db2.gz VQNKPNNTBONHND-UHFFFAOYSA-N -1 3 392.839 3.549 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)c1 ZINC001259522188 1045221380 /nfs/dbraw/zinc/22/13/80/1045221380.db2.gz GBLRKBPRHBYYJX-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC001296044594 1045231948 /nfs/dbraw/zinc/23/19/48/1045231948.db2.gz OLKMDQKVZTWBLJ-MRXNPFEDSA-N -1 3 375.749 3.734 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1Br)c1cccnc1 ZINC001259607511 1045241574 /nfs/dbraw/zinc/24/15/74/1045241574.db2.gz XNLLGFXDJDYMPI-UHFFFAOYSA-N -1 3 397.172 3.544 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1Br)c1cccnc1 ZINC001259608219 1045242285 /nfs/dbraw/zinc/24/22/85/1045242285.db2.gz YGCQNABCCRHWGV-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)c([O-])c1 ZINC001296113710 1045255758 /nfs/dbraw/zinc/25/57/58/1045255758.db2.gz OTYBRTOWMQDVQX-AOMKIAJQSA-N -1 3 380.488 3.650 20 0 GHADHM CC(C)CCSCC(=O)Nc1ccc(I)cc1[O-] ZINC001296282157 1045294683 /nfs/dbraw/zinc/29/46/83/1045294683.db2.gz FTRAYWAARNYMKN-UHFFFAOYSA-N -1 3 379.263 3.715 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(I)cc1[O-] ZINC001296284213 1045295896 /nfs/dbraw/zinc/29/58/96/1045295896.db2.gz ZMIQVSOVDILMEH-YGRLFVJLSA-N -1 3 389.233 3.531 20 0 GHADHM Cc1c(C(=O)Nc2ccc(I)cc2[O-])ccn1C(C)C ZINC001296291421 1045296217 /nfs/dbraw/zinc/29/62/17/1045296217.db2.gz LBYPBGJSCSYKRV-UHFFFAOYSA-N -1 3 384.217 3.940 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(I)cc2[O-])CCO1 ZINC001296290706 1045296592 /nfs/dbraw/zinc/29/65/92/1045296592.db2.gz BVSICUTUYMDRQS-JQWIXIFHSA-N -1 3 389.233 3.531 20 0 GHADHM CN(C)Cc1ccc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)o1 ZINC001296357822 1045303033 /nfs/dbraw/zinc/30/30/33/1045303033.db2.gz GKOVPIIQKMVOAD-INIZCTEOSA-N -1 3 382.489 3.913 20 0 GHADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3c(C)cccc3[O-])c2)n1 ZINC001296365353 1045304654 /nfs/dbraw/zinc/30/46/54/1045304654.db2.gz IHPQTBMXHQMVMY-UHFFFAOYSA-N -1 3 382.441 3.541 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)c(F)c1)c1ccc2c(c1)CCC2 ZINC001259861507 1045322053 /nfs/dbraw/zinc/32/20/53/1045322053.db2.gz OQGKZVWUDUMGHY-UHFFFAOYSA-N -1 3 392.521 3.668 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c(Br)c(Cl)c1)C1CCOCC1 ZINC001259907651 1045333913 /nfs/dbraw/zinc/33/39/13/1045333913.db2.gz VUHVDIDATWVCQD-UHFFFAOYSA-N -1 3 389.098 3.677 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c1 ZINC001260094455 1045381631 /nfs/dbraw/zinc/38/16/31/1045381631.db2.gz SREYYKFUFGDEJA-UHFFFAOYSA-N -1 3 388.420 3.660 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(Br)cnc1F ZINC001260128580 1045387848 /nfs/dbraw/zinc/38/78/48/1045387848.db2.gz GYPABJCHFKHHTN-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM C[C@@H](Nc1nc2cc(Br)ccc2o1)c1nc(C(F)(F)F)n[n-]1 ZINC001307219107 1045390189 /nfs/dbraw/zinc/39/01/89/1045390189.db2.gz IIZRENSBZOBKIC-RXMQYKEDSA-N -1 3 376.136 3.900 20 0 GHADHM C[C@H](Nc1nc2cc(Br)ccc2o1)c1nc(C(F)(F)F)n[n-]1 ZINC001307219109 1045390722 /nfs/dbraw/zinc/39/07/22/1045390722.db2.gz IIZRENSBZOBKIC-YFKPBYRVSA-N -1 3 376.136 3.900 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)cc1 ZINC001260146033 1045396883 /nfs/dbraw/zinc/39/68/83/1045396883.db2.gz INLIHXISSKPXRB-UHFFFAOYSA-N -1 3 397.456 3.657 20 0 GHADHM CC1(c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)cc2)COC1 ZINC001260148285 1045398398 /nfs/dbraw/zinc/39/83/98/1045398398.db2.gz WMSGBWSOULGIIT-UHFFFAOYSA-N -1 3 396.468 3.963 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2F)cc1 ZINC001260239061 1045422409 /nfs/dbraw/zinc/42/24/09/1045422409.db2.gz CVNCZORIFLGQPX-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)c(Cl)n1 ZINC001260244685 1045425144 /nfs/dbraw/zinc/42/51/44/1045425144.db2.gz FLUNCWMFTRNMFC-UHFFFAOYSA-N -1 3 395.912 3.878 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC001260323374 1045461270 /nfs/dbraw/zinc/46/12/70/1045461270.db2.gz JENDZHZIDJSPJI-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1cc(Cl)cc(Cl)c1 ZINC001260365918 1045476381 /nfs/dbraw/zinc/47/63/81/1045476381.db2.gz BOVWFOQLHFLRDE-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1ccc(Br)cc1F ZINC001260380928 1045483772 /nfs/dbraw/zinc/48/37/72/1045483772.db2.gz HZZUBFVOJQQUPU-AWEZNQCLSA-N -1 3 388.233 3.693 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2I)c(F)c1 ZINC001260405513 1045487915 /nfs/dbraw/zinc/48/79/15/1045487915.db2.gz HOJXWHXJZQTQMS-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccc(C)c(C)c3)CCC2)c1 ZINC001297262684 1045488866 /nfs/dbraw/zinc/48/88/66/1045488866.db2.gz RPJPWNRVGHKJDY-UHFFFAOYSA-N -1 3 378.472 3.985 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000557211650 1045491841 /nfs/dbraw/zinc/49/18/41/1045491841.db2.gz SQVXWVNPUMCHJI-LBPRGKRZSA-N -1 3 380.680 3.659 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCCC4)cc3)ccc2o1 ZINC001260452261 1045498144 /nfs/dbraw/zinc/49/81/44/1045498144.db2.gz MUBBBWDFHAKTIC-UHFFFAOYSA-N -1 3 398.484 3.974 20 0 GHADHM O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc(O)cc1[O-] ZINC001297482678 1045537308 /nfs/dbraw/zinc/53/73/08/1045537308.db2.gz CWPDRRYTHNVVDN-GFCCVEGCSA-N -1 3 381.259 3.803 20 0 GHADHM C[C@H](NC(=O)CCCCCc1cccs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297608787 1045587257 /nfs/dbraw/zinc/58/72/57/1045587257.db2.gz CKJDUYYGSJKDPD-GJZGRUSLSA-N -1 3 389.521 3.731 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Br ZINC001260649465 1045590370 /nfs/dbraw/zinc/59/03/70/1045590370.db2.gz BZDADFLZVCSYPT-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(C4OCCO4)cc3)ccc2O1 ZINC001260718337 1045624512 /nfs/dbraw/zinc/62/45/12/1045624512.db2.gz ZHQQSSYXPKLVMB-UHFFFAOYSA-N -1 3 389.473 3.636 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cnn(CC(F)(F)F)c1 ZINC001260818548 1045684255 /nfs/dbraw/zinc/68/42/55/1045684255.db2.gz LKFJHKSXAGJUJM-UHFFFAOYSA-N -1 3 388.198 3.694 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(Cl)n1 ZINC001260850608 1045713121 /nfs/dbraw/zinc/71/31/21/1045713121.db2.gz YBNANRFDIDAJKX-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCc1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC001298427966 1045811047 /nfs/dbraw/zinc/81/10/47/1045811047.db2.gz YNSTYHHQSUDVKJ-KUHUBIRLSA-N -1 3 384.451 3.576 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cc(C)cc(I)c2)c1[O-] ZINC001298749359 1045938124 /nfs/dbraw/zinc/93/81/24/1045938124.db2.gz YHAZCYQEQOOKOF-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2Oc2cccnc2)[n-]n1 ZINC001299811378 1046048958 /nfs/dbraw/zinc/04/89/58/1046048958.db2.gz LNOKMQXIBJJNDG-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2Oc2cccnc2)n[n-]1 ZINC001299811378 1046048972 /nfs/dbraw/zinc/04/89/72/1046048972.db2.gz LNOKMQXIBJJNDG-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC001299972259 1046120917 /nfs/dbraw/zinc/12/09/17/1046120917.db2.gz AJWDNAQHYNSCAY-NRFANRHFSA-N -1 3 396.487 3.765 20 0 GHADHM CC(C)(C)C(=O)c1cn(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)nn1 ZINC001262025193 1046159418 /nfs/dbraw/zinc/15/94/18/1046159418.db2.gz ABUSQQQPRFUKIN-UHFFFAOYSA-N -1 3 393.472 3.933 20 0 GHADHM COC(=O)C(C)(C)n1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC001301508896 1046572108 /nfs/dbraw/zinc/57/21/08/1046572108.db2.gz IVEZLJKIGZDISS-UHFFFAOYSA-N -1 3 395.415 3.541 20 0 GHADHM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC001301707324 1046670999 /nfs/dbraw/zinc/67/09/99/1046670999.db2.gz KKMNHLOZNCLMET-FQEVSTJZSA-N -1 3 376.460 3.571 20 0 GHADHM CCCSc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)n1 ZINC001302225135 1046881938 /nfs/dbraw/zinc/88/19/38/1046881938.db2.gz YDJRDRTWFMIGTL-UHFFFAOYSA-N -1 3 399.925 3.861 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)cc1[O-] ZINC001263876254 1047175125 /nfs/dbraw/zinc/17/51/25/1047175125.db2.gz YHFLZRVURZDXRT-UHFFFAOYSA-N -1 3 386.473 3.609 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2COc3cccc(Br)c3C2)c1 ZINC001302906825 1047182833 /nfs/dbraw/zinc/18/28/33/1047182833.db2.gz VERZPRIBMFYZKV-SNVBAGLBSA-N -1 3 394.290 3.610 20 0 GHADHM COc1ccc(Br)cc1C(=O)CCC(=O)[N-]Oc1ccccc1F ZINC001303332508 1047362031 /nfs/dbraw/zinc/36/20/31/1047362031.db2.gz AZXSXQUQZNBWGC-UHFFFAOYSA-N -1 3 396.212 3.670 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)c([O-])c1 ZINC001303429064 1047390605 /nfs/dbraw/zinc/39/06/05/1047390605.db2.gz YJEWFYWOZXKEQK-HNNXBMFYSA-N -1 3 376.250 3.971 20 0 GHADHM C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131010 1047595203 /nfs/dbraw/zinc/59/52/03/1047595203.db2.gz GSXDYIBUKSWUEU-MRVPVSSYSA-N -1 3 378.807 3.837 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC001304131571 1047595261 /nfs/dbraw/zinc/59/52/61/1047595261.db2.gz JOJSERBKYICARP-JTQLQIEISA-N -1 3 395.410 3.670 20 0 GHADHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001265502676 1047621602 /nfs/dbraw/zinc/62/16/02/1047621602.db2.gz WNMWJWCXJUEQNN-UHFFFAOYSA-N -1 3 394.811 3.790 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001304264517 1047631979 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ZINC001320069171 1055633211 /nfs/dbraw/zinc/63/32/11/1055633211.db2.gz RTXSYUQPFBNDKU-UHFFFAOYSA-N -1 3 398.850 3.585 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)cc2o1 ZINC001320717161 1055938254 /nfs/dbraw/zinc/93/82/54/1055938254.db2.gz LNEHZVZHIMVPPO-HNNXBMFYSA-N -1 3 388.342 3.857 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC001322367725 1056654701 /nfs/dbraw/zinc/65/47/01/1056654701.db2.gz QVQYTKGWOODXIM-UHFFFAOYSA-N -1 3 381.398 3.536 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 ZINC001322467837 1056718737 /nfs/dbraw/zinc/71/87/37/1056718737.db2.gz ANWHGNFCKJXUIE-UHFFFAOYSA-N -1 3 387.443 3.616 20 0 GHADHM CCOC(=O)[C@]1(F)CN(C(=O)c2cc3sccc3c([O-])c2)CC12CCC2 ZINC001300673911 1056829194 /nfs/dbraw/zinc/82/91/94/1056829194.db2.gz CDTLYWAPPXOUTI-LJQANCHMSA-N -1 3 377.437 3.504 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC001323412644 1056966276 /nfs/dbraw/zinc/96/62/76/1056966276.db2.gz CAVMOEDPORIVSL-UHFFFAOYSA-N -1 3 383.492 3.617 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000848325326 1057011881 /nfs/dbraw/zinc/01/18/81/1057011881.db2.gz UVPIAELPXJYOGC-HNNXBMFYSA-N -1 3 398.381 3.731 20 0 GHADHM COc1ccnc(OC)c1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC001355667186 1057244491 /nfs/dbraw/zinc/24/44/91/1057244491.db2.gz WLJKYOIJOUTNIC-UHFFFAOYSA-N -1 3 376.825 3.523 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](c2nccn2C)c2ccccc2F)c1 ZINC001356221855 1057436091 /nfs/dbraw/zinc/43/60/91/1057436091.db2.gz CPPSTAFUGFYCGE-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM CCC(C)(C)[C@H](NCc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC001327073964 1057593196 /nfs/dbraw/zinc/59/31/96/1057593196.db2.gz QXQSQMBDEGKHOM-QGZVFWFLSA-N -1 3 378.494 3.710 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001440410720 1058513621 /nfs/dbraw/zinc/51/36/21/1058513621.db2.gz KALFUTAOCVUBCE-DVOMOZLQSA-N -1 3 395.459 3.547 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)c1ccccc1 ZINC001440668056 1058568739 /nfs/dbraw/zinc/56/87/39/1058568739.db2.gz URKGXGPSIPVRFD-UHFFFAOYSA-N -1 3 375.384 3.531 20 0 GHADHM Cc1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])ccc1N1CCN(C)CC1 ZINC001440866379 1058639215 /nfs/dbraw/zinc/63/92/15/1058639215.db2.gz MQQQPRRLIIENMB-UHFFFAOYSA-N -1 3 391.471 3.564 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC001338653361 1058710825 /nfs/dbraw/zinc/71/08/25/1058710825.db2.gz LCLJTLUILAEVBS-UHFFFAOYSA-N -1 3 391.406 3.744 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001441343564 1058754500 /nfs/dbraw/zinc/75/45/00/1058754500.db2.gz ROTISOBRUVICEV-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3oc4ccccc4c3CO)c2)n1 ZINC001441564120 1058816969 /nfs/dbraw/zinc/81/69/69/1058816969.db2.gz RIQGKBIKXCXGIB-UHFFFAOYSA-N -1 3 389.411 3.902 20 0 GHADHM Nc1c(Cl)cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1Cl ZINC001441997702 1058902328 /nfs/dbraw/zinc/90/23/28/1058902328.db2.gz WYFVWTIKCIOLSR-UHFFFAOYSA-N -1 3 384.169 3.948 20 0 GHADHM Cc1cc(NC(=O)c2cc([O-])cc(Br)c2)n(Cc2ccccc2)n1 ZINC001442021229 1058905152 /nfs/dbraw/zinc/90/51/52/1058905152.db2.gz OYRJYQCORGIZHV-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001339018750 1058925162 /nfs/dbraw/zinc/92/51/62/1058925162.db2.gz KYWKQHUOAKNFPF-UHFFFAOYSA-N -1 3 377.495 3.759 20 0 GHADHM Cc1ccccc1-n1nccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001444056910 1059256015 /nfs/dbraw/zinc/25/60/15/1059256015.db2.gz DRQSHUPENSAWNV-UHFFFAOYSA-N -1 3 380.354 3.553 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001444249998 1059289238 /nfs/dbraw/zinc/28/92/38/1059289238.db2.gz UBHDWUSPTJZDES-DGCLKSJQSA-N -1 3 386.373 3.964 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001340018363 1059623568 /nfs/dbraw/zinc/62/35/68/1059623568.db2.gz GNAMRYQLTVDRKC-KDOFPFPSSA-N -1 3 378.480 3.542 20 0 GHADHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001447289017 1059944846 /nfs/dbraw/zinc/94/48/46/1059944846.db2.gz VGELKLITQFBZSL-UHFFFAOYSA-N -1 3 390.336 3.894 20 0 GHADHM CC(C)c1nc(C(=O)Nc2ccc(I)cc2[O-])cs1 ZINC001447623036 1059987432 /nfs/dbraw/zinc/98/74/32/1059987432.db2.gz HIYZVLMFKPHJCH-UHFFFAOYSA-N -1 3 388.230 3.829 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc2cccnc2c1 ZINC001447629894 1059990480 /nfs/dbraw/zinc/99/04/80/1059990480.db2.gz PVYHLTFJLHKJHB-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(C)(C)C)CC2)ccc1F ZINC001447754623 1060022698 /nfs/dbraw/zinc/02/26/98/1060022698.db2.gz YPZSMUHOHPYMJN-UHFFFAOYSA-N -1 3 398.544 3.801 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001447971725 1060076830 /nfs/dbraw/zinc/07/68/30/1060076830.db2.gz YOMICUKHHVSQDH-STQMWFEESA-N -1 3 380.510 3.680 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001448296259 1060150798 /nfs/dbraw/zinc/15/07/98/1060150798.db2.gz NZPRDEVYEZKSHA-FQEVSTJZSA-N -1 3 390.505 3.984 20 0 GHADHM CCCc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])ccc1Cl ZINC001449198849 1060351493 /nfs/dbraw/zinc/35/14/93/1060351493.db2.gz UWZPPPWAXJDUNX-CHWSQXEVSA-N -1 3 389.883 3.786 20 0 GHADHM CC(C)OCCO[N-]C(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001450113434 1060534870 /nfs/dbraw/zinc/53/48/70/1060534870.db2.gz LIHDSWCVPIZJNJ-UHFFFAOYSA-N -1 3 386.533 3.667 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC001450228407 1060556024 /nfs/dbraw/zinc/55/60/24/1060556024.db2.gz HLGKNRLBLLOIRL-UHFFFAOYSA-N -1 3 389.249 3.990 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2c(F)ccc(Br)c2C1 ZINC001450479386 1060601401 /nfs/dbraw/zinc/60/14/01/1060601401.db2.gz FTNYEKTZMRZEPY-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)CCCCc3ccc(Cl)cc3)cc2n(C)c1=O ZINC001450678430 1060649604 /nfs/dbraw/zinc/64/96/04/1060649604.db2.gz VWICZABIBVVMKY-UHFFFAOYSA-N -1 3 387.867 3.588 20 0 GHADHM Cc1sc(-n2cccc2)c(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1C ZINC001450901673 1060713514 /nfs/dbraw/zinc/71/35/14/1060713514.db2.gz QHPGODRYBNVYSL-UHFFFAOYSA-N -1 3 378.461 3.512 20 0 GHADHM Cc1sc(-n2cccc2)c(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1C ZINC001450901673 1060713529 /nfs/dbraw/zinc/71/35/29/1060713529.db2.gz QHPGODRYBNVYSL-UHFFFAOYSA-N -1 3 378.461 3.512 20 0 GHADHM Cc1nc2c(Cl)cccc2cc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450922476 1060717449 /nfs/dbraw/zinc/71/74/49/1060717449.db2.gz VMIKTNNXCOLCLI-UHFFFAOYSA-N -1 3 378.823 3.553 20 0 GHADHM Cc1nc2c(Cl)cccc2cc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450922476 1060717462 /nfs/dbraw/zinc/71/74/62/1060717462.db2.gz VMIKTNNXCOLCLI-UHFFFAOYSA-N -1 3 378.823 3.553 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]3C(C)C)c2)cc1 ZINC001451060342 1060732883 /nfs/dbraw/zinc/73/28/83/1060732883.db2.gz URKCCTTZRCIBQC-AZUAARDMSA-N -1 3 386.517 3.879 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001341539936 1060736691 /nfs/dbraw/zinc/73/66/91/1060736691.db2.gz NUPCYFIYQUKXSO-RDJZCZTQSA-N -1 3 393.409 3.895 20 0 GHADHM CC(C)[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)ONC(=O)OC(C)(C)C ZINC001451808098 1060841270 /nfs/dbraw/zinc/84/12/70/1060841270.db2.gz XDPVDMGMXYEDQP-OAHLLOKOSA-N -1 3 394.493 3.818 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)c2c1 ZINC001452102310 1060901865 /nfs/dbraw/zinc/90/18/65/1060901865.db2.gz SDOUVBYOJPGTRV-UHFFFAOYSA-N -1 3 381.432 3.708 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)c2c1 ZINC001452102310 1060901868 /nfs/dbraw/zinc/90/18/68/1060901868.db2.gz SDOUVBYOJPGTRV-UHFFFAOYSA-N -1 3 381.432 3.708 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)[n-]1 ZINC001452520321 1060954552 /nfs/dbraw/zinc/95/45/52/1060954552.db2.gz SUZQSQBNMOTIOG-SFHVURJKSA-N -1 3 384.819 3.789 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)nc1 ZINC001452540017 1060957982 /nfs/dbraw/zinc/95/79/82/1060957982.db2.gz VACSKVKIEBXKKN-UHFFFAOYSA-N -1 3 399.834 3.784 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)nc2)c1 ZINC001452715274 1060993263 /nfs/dbraw/zinc/99/32/63/1060993263.db2.gz VULJPDJZXNICBO-UHFFFAOYSA-N -1 3 378.432 3.651 20 0 GHADHM O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452731449 1060995779 /nfs/dbraw/zinc/99/57/79/1060995779.db2.gz YVPPUDWIKPULEP-QRWLVFNGSA-N -1 3 397.862 3.905 20 0 GHADHM Nc1ccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c([O-])c1 ZINC001342028201 1061004523 /nfs/dbraw/zinc/00/45/23/1061004523.db2.gz OZKLKFOZCDRETO-UHFFFAOYSA-N -1 3 391.802 3.564 20 0 GHADHM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc([O-])cc(Br)c1 ZINC001453867710 1061215777 /nfs/dbraw/zinc/21/57/77/1061215777.db2.gz HGYITPJEDKSDMF-OWCLPIDISA-N -1 3 378.653 3.876 20 0 GHADHM CCn1c(CN(C)[C@H](C)Cc2ccc(OC)cc2)nc2cc(C(=O)[O-])ccc21 ZINC001346241538 1061473247 /nfs/dbraw/zinc/47/32/47/1061473247.db2.gz LYDHGYINXWCTFF-OAHLLOKOSA-N -1 3 381.476 3.826 20 0 GHADHM Cn1ccc(-n2c3ccccc3nc2NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC001454324775 1061721093 /nfs/dbraw/zinc/72/10/93/1061721093.db2.gz LJSYDPRPTCBVPZ-UHFFFAOYSA-N -1 3 393.422 3.565 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C1(C)C ZINC001454410012 1061768687 /nfs/dbraw/zinc/76/86/87/1061768687.db2.gz DXOUBVUTHJHYHY-TZMCWYRMSA-N -1 3 390.285 3.806 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C1(C)C ZINC001454410012 1061768710 /nfs/dbraw/zinc/76/87/10/1061768710.db2.gz DXOUBVUTHJHYHY-TZMCWYRMSA-N -1 3 390.285 3.806 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)c(Cl)c1 ZINC001545757639 1061985625 /nfs/dbraw/zinc/98/56/25/1061985625.db2.gz FYKRKQLOUOPODQ-UHFFFAOYSA-N -1 3 397.859 3.677 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCCC)[C@@H]2CCc3ncsc3C2)c1 ZINC001347047554 1062069611 /nfs/dbraw/zinc/06/96/11/1062069611.db2.gz KSQXFJYZRVVXCF-OAHLLOKOSA-N -1 3 399.516 3.773 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc(O)c1C ZINC001455264174 1062081143 /nfs/dbraw/zinc/08/11/43/1062081143.db2.gz VSMUCGPOZNTCNS-UHFFFAOYSA-N -1 3 387.233 3.865 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1 ZINC001455318160 1062102325 /nfs/dbraw/zinc/10/23/25/1062102325.db2.gz TWKSDKWQYVQCMT-HXUWFJFHSA-N -1 3 385.826 3.625 20 0 GHADHM CCc1oc2ccccc2c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001347462201 1062401919 /nfs/dbraw/zinc/40/19/19/1062401919.db2.gz UMIBEJSYUZIOAJ-GFCCVEGCSA-N -1 3 382.382 3.526 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(-c3ccc(C)cc3)nc2C)s1 ZINC001435567996 1062741442 /nfs/dbraw/zinc/74/14/42/1062741442.db2.gz SEZDKSYMIFIWOB-UHFFFAOYSA-N -1 3 388.474 3.707 20 0 GHADHM COCCOCCOc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001456542341 1062741529 /nfs/dbraw/zinc/74/15/29/1062741529.db2.gz WKLJHUQDCCIQEJ-UHFFFAOYSA-N -1 3 385.460 3.565 20 0 GHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cc2nccc(C(F)(F)F)n2n1 ZINC001456728998 1062829394 /nfs/dbraw/zinc/82/93/94/1062829394.db2.gz SFSRNKSSKPYFKA-UHFFFAOYSA-N -1 3 398.757 3.659 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)OCc2ccc(F)cc2)c(C(=O)OCC)[n-]1 ZINC001435886771 1062981540 /nfs/dbraw/zinc/98/15/40/1062981540.db2.gz JUNJBNSEZYJPDA-ZDUSSCGKSA-N -1 3 391.443 3.612 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Oc3ccccc3)n2)c([O-])c1 ZINC001457127265 1062984138 /nfs/dbraw/zinc/98/41/38/1062984138.db2.gz ULFRCVRSMROLAJ-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[O-])c3cnccc32)CC1 ZINC001457249177 1063058991 /nfs/dbraw/zinc/05/89/91/1063058991.db2.gz QEFBRZDLBTUDRL-UHFFFAOYSA-N -1 3 396.878 3.598 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c2ccccc2N1 ZINC001457691477 1063315152 /nfs/dbraw/zinc/31/51/52/1063315152.db2.gz JOQICTUICVYXRV-SFHVURJKSA-N -1 3 383.398 3.903 20 0 GHADHM O=C(Nc1nc(-c2ccccc2F)co1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457783103 1063364467 /nfs/dbraw/zinc/36/44/67/1063364467.db2.gz BRYLXJJHLYYDEH-UHFFFAOYSA-N -1 3 385.301 3.853 20 0 GHADHM O=C([N-]CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)c1c(F)cccc1F ZINC001437267129 1063798057 /nfs/dbraw/zinc/79/80/57/1063798057.db2.gz HTDQCKZCWGCWAT-UHFFFAOYSA-N -1 3 391.267 3.737 20 0 GHADHM COc1ccccc1C1(C(=O)OCc2nnc(-c3ccccc3[O-])o2)CCC1 ZINC001349950076 1063950361 /nfs/dbraw/zinc/95/03/61/1063950361.db2.gz ISLUHEFQJVNJFB-UHFFFAOYSA-N -1 3 380.400 3.616 20 0 GHADHM CC1(C)CC[C@@H](CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)OC1 ZINC001459179478 1064015052 /nfs/dbraw/zinc/01/50/52/1064015052.db2.gz LXBKBOGWYDVDTD-HNNXBMFYSA-N -1 3 384.505 3.878 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3ccccc3)ns2)nnn1-c1ccc(F)c(F)c1 ZINC001350677370 1064162071 /nfs/dbraw/zinc/16/20/71/1064162071.db2.gz OCRGEOGGHBLTFY-UHFFFAOYSA-N -1 3 398.398 3.625 20 0 GHADHM O=c1[n-]c(CN(Cc2ccccc2F)c2ccccc2F)nc2c1COCC2 ZINC001459733287 1064192084 /nfs/dbraw/zinc/19/20/84/1064192084.db2.gz UHEWOQKRUZWLGW-UHFFFAOYSA-N -1 3 383.398 3.740 20 0 GHADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)s1)OC ZINC001463373052 1064291768 /nfs/dbraw/zinc/29/17/68/1064291768.db2.gz JNXXXNMVDOINNI-LBPRGKRZSA-N -1 3 398.388 3.939 20 0 GHADHM COC(=O)[C@]1([N-]C(=O)C(F)(F)c2ccccc2F)CC[C@@H](C)c2ccccc21 ZINC001463443815 1064355252 /nfs/dbraw/zinc/35/52/52/1064355252.db2.gz JIQUBKYDECCLKF-XCLFUZPHSA-N -1 3 391.389 4.000 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001463537067 1064445001 /nfs/dbraw/zinc/44/50/01/1064445001.db2.gz AOEGEQLGXZSZNK-UONOGXRCSA-N -1 3 385.501 3.886 20 0 GHADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H](Cc1cccc2ccccc21)C(=O)OCC ZINC001463554938 1064456566 /nfs/dbraw/zinc/45/65/66/1064456566.db2.gz JSQFYQBYJFFIIK-OXQOHEQNSA-N -1 3 391.533 3.670 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001351715741 1064573807 /nfs/dbraw/zinc/57/38/07/1064573807.db2.gz ICIGLQDHHQRIEL-KRWDZBQOSA-N -1 3 384.867 3.752 20 0 GHADHM CCC1([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001463753454 1064588053 /nfs/dbraw/zinc/58/80/53/1064588053.db2.gz YLUZTWOOXSSVCE-UHFFFAOYSA-N -1 3 387.324 3.794 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c2ccco2)cc1 ZINC001463895660 1064701012 /nfs/dbraw/zinc/70/10/12/1064701012.db2.gz WEHQVLGZFQCZNI-INIZCTEOSA-N -1 3 396.827 3.544 20 0 GHADHM C[C@@H](COc1c(F)cccc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001464049581 1064788843 /nfs/dbraw/zinc/78/88/43/1064788843.db2.gz ARGPERDLMVCMMB-VIFPVBQESA-N -1 3 379.787 3.503 20 0 GHADHM CN(C)c1nc(Cl)c(C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC001464133692 1064848500 /nfs/dbraw/zinc/84/85/00/1064848500.db2.gz DFODNLBIULMOND-UHFFFAOYSA-N -1 3 376.663 3.583 20 0 GHADHM CS(C)(=O)=Nc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001464139934 1064853100 /nfs/dbraw/zinc/85/31/00/1064853100.db2.gz DVIIUJBDLFJWDB-UHFFFAOYSA-N -1 3 383.267 3.766 20 0 GHADHM O=C([N-]C1(c2cccc(OC(F)(F)F)c2)CC1)C(F)(F)C1CCOCC1 ZINC000847214521 1064908477 /nfs/dbraw/zinc/90/84/77/1064908477.db2.gz JTFAUYOALGEPNW-UHFFFAOYSA-N -1 3 379.325 3.752 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)c2cccc(F)c2F)c1Cl ZINC001464262032 1064931621 /nfs/dbraw/zinc/93/16/21/1064931621.db2.gz CKXJJQWSACSFLU-UHFFFAOYSA-N -1 3 394.226 3.741 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)c1ccccc1 ZINC001464371728 1064975726 /nfs/dbraw/zinc/97/57/26/1064975726.db2.gz VZIMIKNLMQFYBY-MRXNPFEDSA-N -1 3 386.498 3.750 20 0 GHADHM COc1c(Cl)cccc1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001464682443 1065154561 /nfs/dbraw/zinc/15/45/61/1065154561.db2.gz HBQCHTCVOCFYFC-UHFFFAOYSA-N -1 3 394.905 3.951 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CCCCO2)c(Br)c1 ZINC001464702151 1065165230 /nfs/dbraw/zinc/16/52/30/1065165230.db2.gz COLSFDNUTNCFHU-CQSZACIVSA-N -1 3 396.734 3.648 20 0 GHADHM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC001464842287 1065239407 /nfs/dbraw/zinc/23/94/07/1065239407.db2.gz ARTQHHIOJWCDAO-UHFFFAOYSA-N -1 3 391.379 3.730 20 0 GHADHM CCOC(=O)Nc1ccc(OC(=O)c2c[n-]cc3nc(C(F)(F)F)nc2-3)cc1 ZINC001464940615 1065281634 /nfs/dbraw/zinc/28/16/34/1065281634.db2.gz KDVHEBOVYFZLLK-UHFFFAOYSA-N -1 3 394.309 3.764 20 0 GHADHM CC(C)c1n[nH]c(CC2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)n1 ZINC001300200926 1065664854 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20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(NCc2ccccc2)ccn1 ZINC001466632185 1066223843 /nfs/dbraw/zinc/22/38/43/1066223843.db2.gz HHHQYLIEIXDABN-UHFFFAOYSA-N -1 3 398.260 3.836 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(I)cc2[O-])c(F)cc1F ZINC001466817819 1066335015 /nfs/dbraw/zinc/33/50/15/1066335015.db2.gz SEDMFCZGHWGQHL-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCCCCC2)ccc1F ZINC001357730690 1067248091 /nfs/dbraw/zinc/24/80/91/1067248091.db2.gz GDLUPIAQTQXIBB-UHFFFAOYSA-N -1 3 398.544 3.993 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c([O-])c1 ZINC001467584635 1067372258 /nfs/dbraw/zinc/37/22/58/1067372258.db2.gz KGHTUOLEBSOOJL-KRWDZBQOSA-N -1 3 376.497 3.768 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3c(nc(C)cc3C)s2)s1 ZINC000610055430 1067566690 /nfs/dbraw/zinc/56/66/90/1067566690.db2.gz IKWBITIVHBPYDN-UHFFFAOYSA-N -1 3 390.490 3.513 20 0 GHADHM Cc1cc(Cl)c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC001468291408 1067672071 /nfs/dbraw/zinc/67/20/71/1067672071.db2.gz ITRSTSIIAPIBDG-UHFFFAOYSA-N -1 3 393.317 3.589 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)[n-]n1 ZINC000537579262 1067736411 /nfs/dbraw/zinc/73/64/11/1067736411.db2.gz INZZWGYZUYOHLC-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)n[n-]1 ZINC000537579262 1067736419 /nfs/dbraw/zinc/73/64/19/1067736419.db2.gz INZZWGYZUYOHLC-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCN(CC(C)C)c1nc(CC(=O)Nc2cccc(C(C)=O)c2[O-])cs1 ZINC001468602928 1067787185 /nfs/dbraw/zinc/78/71/85/1067787185.db2.gz ZNKRJXJKXKUFKA-UHFFFAOYSA-N -1 3 375.494 3.715 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(NC(C)=O)c(F)cc2F)c1 ZINC000849307478 1067794378 /nfs/dbraw/zinc/79/43/78/1067794378.db2.gz VMGBTAWNDFRSEI-NSHDSACASA-N -1 3 398.431 3.901 20 0 GHADHM COc1cc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c(Cl)c(OC)c1 ZINC001468936427 1067932531 /nfs/dbraw/zinc/93/25/31/1067932531.db2.gz ZDEZRVZIVHHMFO-UHFFFAOYSA-N -1 3 377.759 3.799 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC001469398518 1068142812 /nfs/dbraw/zinc/14/28/12/1068142812.db2.gz UBSKYOSXGBJLRD-ABAIWWIYSA-N -1 3 398.297 3.595 20 0 GHADHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001469422612 1068156894 /nfs/dbraw/zinc/15/68/94/1068156894.db2.gz NCCKHHNFZJPYFW-WFASDCNBSA-N -1 3 391.493 3.650 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(-c3cccs3)nc3ccccc32)n1 ZINC001469725053 1068339731 /nfs/dbraw/zinc/33/97/31/1068339731.db2.gz WWJDJEPSBMJLPA-UHFFFAOYSA-N -1 3 376.441 3.697 20 0 GHADHM O=C([N-]Cc1cccc(-n2cncn2)c1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001360889268 1068675102 /nfs/dbraw/zinc/67/51/02/1068675102.db2.gz YYODGUTVDWMYIH-UHFFFAOYSA-N -1 3 397.212 3.982 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1cccc2ncccc12 ZINC001478221810 1078771508 /nfs/dbraw/zinc/77/15/08/1078771508.db2.gz UXDMMILKVHJZJD-UHFFFAOYSA-N -1 3 386.249 3.702 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC001460133496 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CC(C)[C@@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC001470863713 1072778927 /nfs/dbraw/zinc/77/89/27/1072778927.db2.gz GMYLLDUIJDTKAH-RHSMWYFYSA-N -1 3 397.441 3.803 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1[O-] ZINC001471056026 1072907247 /nfs/dbraw/zinc/90/72/47/1072907247.db2.gz DXVCLMXNSAHDJA-INIZCTEOSA-N -1 3 390.480 3.504 20 0 GHADHM CCC(F)(F)c1ccccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001471302582 1073006845 /nfs/dbraw/zinc/00/68/45/1073006845.db2.gz CJUHZYXNLXRTAE-UHFFFAOYSA-N -1 3 376.403 3.961 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nc2ccccc2o1 ZINC001471362407 1073038579 /nfs/dbraw/zinc/03/85/79/1073038579.db2.gz IUPVVCNWESLEGH-NSHDSACASA-N -1 3 381.819 3.856 20 0 GHADHM CC(C)(C)c1ccc(CSCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001471813213 1073224355 /nfs/dbraw/zinc/22/43/55/1073224355.db2.gz YAPYBGDQGUSOTL-UHFFFAOYSA-N -1 3 385.533 3.907 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CC3CCC(C(C)(C)C)CC3)C2)n1 ZINC001471857372 1073234063 /nfs/dbraw/zinc/23/40/63/1073234063.db2.gz WOYBUINILPPLBM-DAWZGUTISA-N -1 3 388.556 3.818 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001471942554 1073274470 /nfs/dbraw/zinc/27/44/70/1073274470.db2.gz OGIAKVJPNLKMNO-UHFFFAOYSA-N -1 3 385.336 3.506 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(Cl)c1 ZINC001472091272 1073331596 /nfs/dbraw/zinc/33/15/96/1073331596.db2.gz TZYRYBSJESZNOH-UHFFFAOYSA-N -1 3 379.844 3.734 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(Cl)c1 ZINC001472091272 1073331604 /nfs/dbraw/zinc/33/16/04/1073331604.db2.gz TZYRYBSJESZNOH-UHFFFAOYSA-N -1 3 379.844 3.734 20 0 GHADHM C[C@@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110593 1073337311 /nfs/dbraw/zinc/33/73/11/1073337311.db2.gz JAMJGWKKUDCTML-SNVBAGLBSA-N -1 3 386.349 3.583 20 0 GHADHM Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c(C)c1Br ZINC001472111434 1073337653 /nfs/dbraw/zinc/33/76/53/1073337653.db2.gz QNMLCKARHLETSS-MRVPVSSYSA-N -1 3 391.191 3.694 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)N3CCc4ccccc43)nc21 ZINC001472300304 1073407169 /nfs/dbraw/zinc/40/71/69/1073407169.db2.gz FENIPSWTBFUEOM-AWEZNQCLSA-N -1 3 392.459 3.519 20 0 GHADHM CC[S@](=O)(=NC(=O)c1cc(Br)n[n-]1)c1cccc(Cl)c1 ZINC001472338745 1073432381 /nfs/dbraw/zinc/43/23/81/1073432381.db2.gz YJXNVPWVFQIYMR-HXUWFJFHSA-N -1 3 376.663 3.513 20 0 GHADHM CC[S@](=O)(=NC(=O)c1cc(Br)[n-]n1)c1cccc(Cl)c1 ZINC001472338745 1073432386 /nfs/dbraw/zinc/43/23/86/1073432386.db2.gz YJXNVPWVFQIYMR-HXUWFJFHSA-N -1 3 376.663 3.513 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cn4ccc(C)cc4n3)n[n-]2)cc1 ZINC001472355531 1073441966 /nfs/dbraw/zinc/44/19/66/1073441966.db2.gz OIIRDGUMEOLEMG-UHFFFAOYSA-N -1 3 378.461 3.614 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H](C(F)(F)F)C1 ZINC001472426895 1073481092 /nfs/dbraw/zinc/48/10/92/1073481092.db2.gz FKXLUGJXECFPHW-RNCFNFMXSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(CN4CCCCC4=O)c3)c[n-]c12 ZINC001472498805 1073514868 /nfs/dbraw/zinc/51/48/68/1073514868.db2.gz UHAWZJMWDWKAFE-UHFFFAOYSA-N -1 3 389.455 3.601 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(OC3CCC3)c(F)c1)c2=O ZINC001472523176 1073529502 /nfs/dbraw/zinc/52/95/02/1073529502.db2.gz HGCRNTNHVGTCPV-UHFFFAOYSA-N -1 3 382.391 3.859 20 0 GHADHM [O-]c1cc(F)c(CCNc2ccc3nnc(-c4ccccc4F)n3n2)c(F)c1 ZINC001472886803 1073713449 /nfs/dbraw/zinc/71/34/49/1073713449.db2.gz WYYFAUUZJJCABO-UHFFFAOYSA-N -1 3 385.349 3.569 20 0 GHADHM COC(=O)c1oc([C@@H](C)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1C ZINC001473728178 1074111690 /nfs/dbraw/zinc/11/16/90/1074111690.db2.gz NWDZFXDOXDTHEZ-CQSZACIVSA-N -1 3 392.883 3.612 20 0 GHADHM CCOc1cc(CN2CCC[C@@H](NC(=O)c3ccccc3)C2)cc(Cl)c1[O-] ZINC001474349884 1074357351 /nfs/dbraw/zinc/35/73/51/1074357351.db2.gz DRIHZSGANWNEBO-QGZVFWFLSA-N -1 3 388.895 3.839 20 0 GHADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc3ccccc3c2)CCCCCC1 ZINC001474813585 1074575426 /nfs/dbraw/zinc/57/54/26/1074575426.db2.gz BJDXGJWJIMZZAN-UHFFFAOYSA-N -1 3 375.490 3.525 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001474900705 1074621901 /nfs/dbraw/zinc/62/19/01/1074621901.db2.gz WSWIWIIFAWTKTD-UPJWGTAASA-N -1 3 385.917 3.863 20 0 GHADHM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001474904052 1074624644 /nfs/dbraw/zinc/62/46/44/1074624644.db2.gz HFKOVMJRXNNMKW-LLVKDONJSA-N -1 3 382.894 3.696 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)c(C)c1Cl ZINC001474946549 1074645431 /nfs/dbraw/zinc/64/54/31/1074645431.db2.gz GMRWOWCUWBEIOZ-VXGBXAGGSA-N -1 3 393.958 3.990 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC001474978495 1074664508 /nfs/dbraw/zinc/66/45/08/1074664508.db2.gz JPJCXOWWMSZYPP-KRWDZBQOSA-N -1 3 399.541 3.757 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1csnc1-c1ccccc1 ZINC001475099588 1074736437 /nfs/dbraw/zinc/73/64/37/1074736437.db2.gz FKYBMUHPXCKKGD-OAHLLOKOSA-N -1 3 378.519 3.580 20 0 GHADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC001475146081 1074756501 /nfs/dbraw/zinc/75/65/01/1074756501.db2.gz JDXWOGAYLFJRQL-AWEZNQCLSA-N -1 3 395.443 3.899 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC(C)C)cc1)c1ccc(F)c(C)c1 ZINC001475172917 1074768577 /nfs/dbraw/zinc/76/85/77/1074768577.db2.gz LEOZWSVCWHULKN-IBGZPJMESA-N -1 3 393.480 3.525 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](C)NC(=O)OC(C)(C)C ZINC001475322035 1074832892 /nfs/dbraw/zinc/83/28/92/1074832892.db2.gz XNAXMJWBRSZACV-NXEZZACHSA-N -1 3 397.324 3.573 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccc(C)cc3C)CC2)cc1F ZINC001475336910 1074838858 /nfs/dbraw/zinc/83/88/58/1074838858.db2.gz ANFCIGWJFJFJDO-UHFFFAOYSA-N -1 3 381.444 3.600 20 0 GHADHM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001475346186 1074842192 /nfs/dbraw/zinc/84/21/92/1074842192.db2.gz FDIZCCIPAADCAL-NWDGAFQWSA-N -1 3 393.958 3.991 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c2ccco2)cc1 ZINC001475398370 1074861098 /nfs/dbraw/zinc/86/10/98/1074861098.db2.gz WLTHTHXTKABQFJ-LJQANCHMSA-N -1 3 393.411 3.943 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1F ZINC001475417026 1074867046 /nfs/dbraw/zinc/86/70/46/1074867046.db2.gz IWKBYTVOMJMMCX-CYBMUJFWSA-N -1 3 391.480 3.556 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CCC1)c1cnc(Cl)c(F)c1 ZINC001475426110 1074870758 /nfs/dbraw/zinc/87/07/58/1074870758.db2.gz OMYOBOKZNDNINV-UHFFFAOYSA-N -1 3 375.252 3.885 20 0 GHADHM CCC([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)(C1CC1)C1CC1 ZINC001475496446 1074895078 /nfs/dbraw/zinc/89/50/78/1074895078.db2.gz LJGQVNWXZSIBBE-UHFFFAOYSA-N -1 3 381.391 3.971 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c(Cl)n1 ZINC001475627097 1074930164 /nfs/dbraw/zinc/93/01/64/1074930164.db2.gz AEUQLAYNEDRHBL-UHFFFAOYSA-N -1 3 398.765 3.560 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(Cl)c1Cl ZINC001475656580 1074993795 /nfs/dbraw/zinc/99/37/95/1074993795.db2.gz RBSYUJIRSCFOMQ-GZMMTYOYSA-N -1 3 392.226 3.772 20 0 GHADHM Cc1cc(F)c(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c(F)c1 ZINC001475717060 1075006981 /nfs/dbraw/zinc/00/69/81/1075006981.db2.gz MDWXMYIIIJJGRQ-UHFFFAOYSA-N -1 3 399.312 3.789 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC001476026987 1075071197 /nfs/dbraw/zinc/07/11/97/1075071197.db2.gz DHKPLAUZEVXMCJ-ZDUSSCGKSA-N -1 3 386.839 3.766 20 0 GHADHM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Br ZINC000097091277 212076904 /nfs/dbraw/zinc/07/69/04/212076904.db2.gz CJBSJMPZBVOZDJ-UHFFFAOYSA-N -1 3 378.270 3.699 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736231119 598826911 /nfs/dbraw/zinc/82/69/11/598826911.db2.gz VZXQXDJPJWOXJD-OAQYLSRUSA-N -1 3 393.516 3.539 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736231119 598826912 /nfs/dbraw/zinc/82/69/12/598826912.db2.gz VZXQXDJPJWOXJD-OAQYLSRUSA-N -1 3 393.516 3.539 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737449709 598831515 /nfs/dbraw/zinc/83/15/15/598831515.db2.gz YCFVOKKFAMUBDF-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737449709 598831517 /nfs/dbraw/zinc/83/15/17/598831517.db2.gz YCFVOKKFAMUBDF-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CC(C)c1ocnc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735952882 598835112 /nfs/dbraw/zinc/83/51/12/598835112.db2.gz AFIQOJJEQNSKFS-UHFFFAOYSA-N -1 3 394.460 3.637 20 0 GHADHM Fc1cccc(C2(CNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)c1 ZINC000737666368 598856008 /nfs/dbraw/zinc/85/60/08/598856008.db2.gz KSOSQANFTLTWFN-UHFFFAOYSA-N -1 3 378.333 3.563 20 0 GHADHM Fc1cccc(C2(CNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)c1 ZINC000737666368 598856010 /nfs/dbraw/zinc/85/60/10/598856010.db2.gz KSOSQANFTLTWFN-UHFFFAOYSA-N -1 3 378.333 3.563 20 0 GHADHM C[C@H](NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCCC1 ZINC000736114353 598876868 /nfs/dbraw/zinc/87/68/68/598876868.db2.gz BLBUTVLHWNVKBK-LBPRGKRZSA-N -1 3 397.508 3.614 20 0 GHADHM C[C@H](NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCCC1 ZINC000736114353 598876869 /nfs/dbraw/zinc/87/68/69/598876869.db2.gz BLBUTVLHWNVKBK-LBPRGKRZSA-N -1 3 397.508 3.614 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895452 598878312 /nfs/dbraw/zinc/87/83/12/598878312.db2.gz JOVCRWKSZUTVCB-VLIAUNLRSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895452 598878314 /nfs/dbraw/zinc/87/83/14/598878314.db2.gz JOVCRWKSZUTVCB-VLIAUNLRSA-N -1 3 387.443 3.585 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1ccc(Cl)s1 ZINC000736037434 598885836 /nfs/dbraw/zinc/88/58/36/598885836.db2.gz LERCPSCIAJUVGB-LLVKDONJSA-N -1 3 392.868 3.525 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1ccc(Cl)s1 ZINC000736037434 598885837 /nfs/dbraw/zinc/88/58/37/598885837.db2.gz LERCPSCIAJUVGB-LLVKDONJSA-N -1 3 392.868 3.525 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc2ccccc2c1 ZINC000737936140 598898530 /nfs/dbraw/zinc/89/85/30/598898530.db2.gz KYOJVVIXOGCLKL-UHFFFAOYSA-N -1 3 390.468 3.997 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc2ccccc2c1 ZINC000737936140 598898532 /nfs/dbraw/zinc/89/85/32/598898532.db2.gz KYOJVVIXOGCLKL-UHFFFAOYSA-N -1 3 390.468 3.997 20 0 GHADHM FC(F)(F)COCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737625964 598900833 /nfs/dbraw/zinc/90/08/33/598900833.db2.gz DYPBJDOGOFZCSX-UHFFFAOYSA-N -1 3 381.383 3.600 20 0 GHADHM FC(F)(F)COCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737625964 598900834 /nfs/dbraw/zinc/90/08/34/598900834.db2.gz DYPBJDOGOFZCSX-UHFFFAOYSA-N -1 3 381.383 3.600 20 0 GHADHM C[C@@H](CC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735986022 598904735 /nfs/dbraw/zinc/90/47/35/598904735.db2.gz PJIJLHKMZLQPKX-ZDUSSCGKSA-N -1 3 395.429 3.974 20 0 GHADHM C[C@@H](CC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735986022 598904737 /nfs/dbraw/zinc/90/47/37/598904737.db2.gz PJIJLHKMZLQPKX-ZDUSSCGKSA-N -1 3 395.429 3.974 20 0 GHADHM CC(C)C(C)(C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735690811 598905730 /nfs/dbraw/zinc/90/57/30/598905730.db2.gz BKECZEKBYBSSNL-UHFFFAOYSA-N -1 3 384.509 3.829 20 0 GHADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000736353341 598907570 /nfs/dbraw/zinc/90/75/70/598907570.db2.gz WVVKJNIVMSKLRG-CMPLNLGQSA-N -1 3 391.884 3.616 20 0 GHADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000736353341 598907572 /nfs/dbraw/zinc/90/75/72/598907572.db2.gz WVVKJNIVMSKLRG-CMPLNLGQSA-N -1 3 391.884 3.616 20 0 GHADHM Cc1cc(=O)oc2cc(Oc3ncc(-c4nnn[n-]4)cc3Cl)c(Cl)cc12 ZINC000737230393 598934640 /nfs/dbraw/zinc/93/46/40/598934640.db2.gz FCKGCBFJXQCPAC-UHFFFAOYSA-N -1 3 390.186 3.776 20 0 GHADHM Cc1cc(=O)oc2cc(Oc3ncc(-c4nn[n-]n4)cc3Cl)c(Cl)cc12 ZINC000737230393 598934642 /nfs/dbraw/zinc/93/46/42/598934642.db2.gz FCKGCBFJXQCPAC-UHFFFAOYSA-N -1 3 390.186 3.776 20 0 GHADHM Fc1ccc(-c2nc(CCNc3ccc(-c4nnn[n-]4)c(Cl)c3)co2)cc1 ZINC000737651443 598940697 /nfs/dbraw/zinc/94/06/97/598940697.db2.gz KOJRCRZMUXMWAE-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM Fc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)c(Cl)c3)co2)cc1 ZINC000737651443 598940698 /nfs/dbraw/zinc/94/06/98/598940698.db2.gz KOJRCRZMUXMWAE-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736400777 598942372 /nfs/dbraw/zinc/94/23/72/598942372.db2.gz SAACBWLBEXARQK-GDBMZVCRSA-N -1 3 395.463 3.737 20 0 GHADHM O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738182807 598944457 /nfs/dbraw/zinc/94/44/57/598944457.db2.gz IUHJVFLFVAWBTA-UHFFFAOYSA-N -1 3 380.477 3.690 20 0 GHADHM O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738182807 598944458 /nfs/dbraw/zinc/94/44/58/598944458.db2.gz IUHJVFLFVAWBTA-UHFFFAOYSA-N -1 3 380.477 3.690 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000736400446 598953133 /nfs/dbraw/zinc/95/31/33/598953133.db2.gz OGHJROGVUFAXRX-WCQYABFASA-N -1 3 386.525 3.560 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736114596 598962557 /nfs/dbraw/zinc/96/25/57/598962557.db2.gz UXHRHARUDAVZNO-NWDGAFQWSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736114596 598962558 /nfs/dbraw/zinc/96/25/58/598962558.db2.gz UXHRHARUDAVZNO-NWDGAFQWSA-N -1 3 393.476 3.598 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737427558 598967144 /nfs/dbraw/zinc/96/71/44/598967144.db2.gz SMICQZFZNNRVQT-SFHVURJKSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737427558 598967146 /nfs/dbraw/zinc/96/71/46/598967146.db2.gz SMICQZFZNNRVQT-SFHVURJKSA-N -1 3 376.464 3.723 20 0 GHADHM O=C(NC1CCCCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738022452 598979327 /nfs/dbraw/zinc/97/93/27/598979327.db2.gz DHZGCTRCWCUQAK-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(NC1CCCCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738022452 598979329 /nfs/dbraw/zinc/97/93/29/598979329.db2.gz DHZGCTRCWCUQAK-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CC(C)CCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735798483 598988284 /nfs/dbraw/zinc/98/82/84/598988284.db2.gz WVFHENZJFJAUDC-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC(C)CCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735798483 598988285 /nfs/dbraw/zinc/98/82/85/598988285.db2.gz WVFHENZJFJAUDC-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)c1ccccc1 ZINC000736122843 599004479 /nfs/dbraw/zinc/00/44/79/599004479.db2.gz MGLCTKTWRVCVFC-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)c1ccccc1 ZINC000736122843 599004480 /nfs/dbraw/zinc/00/44/80/599004480.db2.gz MGLCTKTWRVCVFC-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1nc2ccccc2s1 ZINC000737033560 599009569 /nfs/dbraw/zinc/00/95/69/599009569.db2.gz XBOSOVPMNOQMLH-UHFFFAOYSA-N -1 3 399.501 3.797 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1nc2ccccc2s1 ZINC000737033560 599009571 /nfs/dbraw/zinc/00/95/71/599009571.db2.gz XBOSOVPMNOQMLH-UHFFFAOYSA-N -1 3 399.501 3.797 20 0 GHADHM C[C@H](Oc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736189002 599015681 /nfs/dbraw/zinc/01/56/81/599015681.db2.gz NRWPOZZCAKTZMY-AWEZNQCLSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@H](Oc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736189002 599015683 /nfs/dbraw/zinc/01/56/83/599015683.db2.gz NRWPOZZCAKTZMY-AWEZNQCLSA-N -1 3 386.415 3.654 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116812 599019304 /nfs/dbraw/zinc/01/93/04/599019304.db2.gz NECZROIYJPIUOA-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116812 599019306 /nfs/dbraw/zinc/01/93/06/599019306.db2.gz NECZROIYJPIUOA-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736228515 599020776 /nfs/dbraw/zinc/02/07/76/599020776.db2.gz OAQRJGNNIQXMRE-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736228515 599020777 /nfs/dbraw/zinc/02/07/77/599020777.db2.gz OAQRJGNNIQXMRE-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM Cc1cccc(CN(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000737392924 599030535 /nfs/dbraw/zinc/03/05/35/599030535.db2.gz ASLQBIWJAOSZAL-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1cccc(CN(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000737392924 599030537 /nfs/dbraw/zinc/03/05/37/599030537.db2.gz ASLQBIWJAOSZAL-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738206942 599035516 /nfs/dbraw/zinc/03/55/16/599035516.db2.gz IDECKPVLNSLNNW-MNOVXSKESA-N -1 3 395.366 3.569 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000738206942 599035519 /nfs/dbraw/zinc/03/55/19/599035519.db2.gz IDECKPVLNSLNNW-MNOVXSKESA-N -1 3 395.366 3.569 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820770009 599039620 /nfs/dbraw/zinc/03/96/20/599039620.db2.gz YOEOJLNQKNHHKZ-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820770009 599039624 /nfs/dbraw/zinc/03/96/24/599039624.db2.gz YOEOJLNQKNHHKZ-BFUOFWGJSA-N -1 3 390.422 3.520 20 0 GHADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821854724 599043722 /nfs/dbraw/zinc/04/37/22/599043722.db2.gz SRDAIENEBUJGOI-OAHLLOKOSA-N -1 3 391.353 3.830 20 0 GHADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821854724 599043725 /nfs/dbraw/zinc/04/37/25/599043725.db2.gz SRDAIENEBUJGOI-OAHLLOKOSA-N -1 3 391.353 3.830 20 0 GHADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821679292 599047176 /nfs/dbraw/zinc/04/71/76/599047176.db2.gz ZMEYPMNLBPOPFF-GFCCVEGCSA-N -1 3 398.776 3.734 20 0 GHADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821679292 599047179 /nfs/dbraw/zinc/04/71/79/599047179.db2.gz ZMEYPMNLBPOPFF-GFCCVEGCSA-N -1 3 398.776 3.734 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOc3c(Cl)cccc32)n1 ZINC000737630975 599047626 /nfs/dbraw/zinc/04/76/26/599047626.db2.gz ADICEFKJPBWKAA-LLVKDONJSA-N -1 3 396.760 3.870 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOc3c(Cl)cccc32)n1 ZINC000737630975 599047629 /nfs/dbraw/zinc/04/76/29/599047629.db2.gz ADICEFKJPBWKAA-LLVKDONJSA-N -1 3 396.760 3.870 20 0 GHADHM Cc1[nH]c2ccc(CNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)cc2c1C ZINC000737200848 599050161 /nfs/dbraw/zinc/05/01/61/599050161.db2.gz VFXSPFTXNVTDJP-UHFFFAOYSA-N -1 3 387.369 3.991 20 0 GHADHM Cc1[nH]c2ccc(CNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)cc2c1C ZINC000737200848 599050163 /nfs/dbraw/zinc/05/01/63/599050163.db2.gz VFXSPFTXNVTDJP-UHFFFAOYSA-N -1 3 387.369 3.991 20 0 GHADHM CCN(Cc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(=O)OC(C)(C)C ZINC000736555699 599050571 /nfs/dbraw/zinc/05/05/71/599050571.db2.gz IZEIQJKNWNDQNL-UHFFFAOYSA-N -1 3 386.481 3.747 20 0 GHADHM CCN(Cc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(=O)OC(C)(C)C ZINC000736555699 599050574 /nfs/dbraw/zinc/05/05/74/599050574.db2.gz IZEIQJKNWNDQNL-UHFFFAOYSA-N -1 3 386.481 3.747 20 0 GHADHM CC(C)(C)c1csc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000735652596 599053485 /nfs/dbraw/zinc/05/34/85/599053485.db2.gz NKIFXXNEUUPFMO-UHFFFAOYSA-N -1 3 397.430 3.689 20 0 GHADHM CC(C)(C)c1csc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000735652596 599053488 /nfs/dbraw/zinc/05/34/88/599053488.db2.gz NKIFXXNEUUPFMO-UHFFFAOYSA-N -1 3 397.430 3.689 20 0 GHADHM Cc1ccc(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737361441 599058225 /nfs/dbraw/zinc/05/82/25/599058225.db2.gz HFJBUGIHFUEGIS-UHFFFAOYSA-N -1 3 386.284 3.934 20 0 GHADHM Cc1ccc(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737361441 599058228 /nfs/dbraw/zinc/05/82/28/599058228.db2.gz HFJBUGIHFUEGIS-UHFFFAOYSA-N -1 3 386.284 3.934 20 0 GHADHM CCN(CC)C(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736524291 599066604 /nfs/dbraw/zinc/06/66/04/599066604.db2.gz UNTOQZWNLRDBEG-KRWDZBQOSA-N -1 3 385.468 3.708 20 0 GHADHM CCN(CC)C(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736524291 599066607 /nfs/dbraw/zinc/06/66/07/599066607.db2.gz UNTOQZWNLRDBEG-KRWDZBQOSA-N -1 3 385.468 3.708 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817575 599069569 /nfs/dbraw/zinc/06/95/69/599069569.db2.gz CFTWEVIONYHARV-AEFFLSMTSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817575 599069572 /nfs/dbraw/zinc/06/95/72/599069572.db2.gz CFTWEVIONYHARV-AEFFLSMTSA-N -1 3 397.429 3.938 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000736670752 599072416 /nfs/dbraw/zinc/07/24/16/599072416.db2.gz QLMVQUYWUBQTGG-NWDGAFQWSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000736670752 599072419 /nfs/dbraw/zinc/07/24/19/599072419.db2.gz QLMVQUYWUBQTGG-NWDGAFQWSA-N -1 3 389.431 3.819 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280978 599079958 /nfs/dbraw/zinc/07/99/58/599079958.db2.gz QLPMIKMPVNBKBQ-JTQLQIEISA-N -1 3 380.399 3.873 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280978 599079961 /nfs/dbraw/zinc/07/99/61/599079961.db2.gz QLPMIKMPVNBKBQ-JTQLQIEISA-N -1 3 380.399 3.873 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689456 599085490 /nfs/dbraw/zinc/08/54/90/599085490.db2.gz WUWHRVCHMMIZHE-KDOFPFPSSA-N -1 3 395.463 3.543 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736235114 599090478 /nfs/dbraw/zinc/09/04/78/599090478.db2.gz MJAITZSWHRKYDD-CLCXKQKWSA-N -1 3 393.516 3.752 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736235114 599090479 /nfs/dbraw/zinc/09/04/79/599090479.db2.gz MJAITZSWHRKYDD-CLCXKQKWSA-N -1 3 393.516 3.752 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736224460 599093928 /nfs/dbraw/zinc/09/39/28/599093928.db2.gz SBGPCMMPWCOCCG-ZJSXRUAMSA-N -1 3 395.466 3.994 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736224460 599093930 /nfs/dbraw/zinc/09/39/30/599093930.db2.gz SBGPCMMPWCOCCG-ZJSXRUAMSA-N -1 3 395.466 3.994 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(-n2ccnc2)c1 ZINC000820455099 599094381 /nfs/dbraw/zinc/09/43/81/599094381.db2.gz CVRBSGSHXKJXTQ-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM CC(C)[C@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735723531 599108565 /nfs/dbraw/zinc/10/85/65/599108565.db2.gz ZEWQNTREMHAKQC-SFHVURJKSA-N -1 3 385.468 3.611 20 0 GHADHM CC(C)[C@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735723531 599108567 /nfs/dbraw/zinc/10/85/67/599108567.db2.gz ZEWQNTREMHAKQC-SFHVURJKSA-N -1 3 385.468 3.611 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736366075 599109807 /nfs/dbraw/zinc/10/98/07/599109807.db2.gz YEDBCJJNIDCNGK-OAHLLOKOSA-N -1 3 387.896 3.880 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736366075 599109809 /nfs/dbraw/zinc/10/98/09/599109809.db2.gz YEDBCJJNIDCNGK-OAHLLOKOSA-N -1 3 387.896 3.880 20 0 GHADHM CC(C)[C@@H](C)SCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820021589 599129973 /nfs/dbraw/zinc/12/99/73/599129973.db2.gz WWCXRJMVAFUXOV-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)[C@@H](C)SCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820021589 599129974 /nfs/dbraw/zinc/12/99/74/599129974.db2.gz WWCXRJMVAFUXOV-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM Fc1cc(NCCOCC(F)(F)F)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822753612 599133917 /nfs/dbraw/zinc/13/39/17/599133917.db2.gz PMZVIJNHWLDJJQ-UHFFFAOYSA-N -1 3 397.332 3.789 20 0 GHADHM Fc1cc(NCCOCC(F)(F)F)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822753612 599133919 /nfs/dbraw/zinc/13/39/19/599133919.db2.gz PMZVIJNHWLDJJQ-UHFFFAOYSA-N -1 3 397.332 3.789 20 0 GHADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(F)(F)F ZINC000819876737 599140774 /nfs/dbraw/zinc/14/07/74/599140774.db2.gz JKDNLJPWRIZVDL-LLVKDONJSA-N -1 3 391.353 3.583 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819867615 599142531 /nfs/dbraw/zinc/14/25/31/599142531.db2.gz UWSORYMHCUDJNI-JTQLQIEISA-N -1 3 377.326 3.796 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819867615 599142534 /nfs/dbraw/zinc/14/25/34/599142534.db2.gz UWSORYMHCUDJNI-JTQLQIEISA-N -1 3 377.326 3.796 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116171 599146867 /nfs/dbraw/zinc/14/68/67/599146867.db2.gz LCZLAJSMABIAGJ-ZDUSSCGKSA-N -1 3 380.452 3.927 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116171 599146870 /nfs/dbraw/zinc/14/68/70/599146870.db2.gz LCZLAJSMABIAGJ-ZDUSSCGKSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736354691 599166788 /nfs/dbraw/zinc/16/67/88/599166788.db2.gz WHLZLCFARLSTRC-SFHVURJKSA-N -1 3 383.883 3.590 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736354691 599166791 /nfs/dbraw/zinc/16/67/91/599166791.db2.gz WHLZLCFARLSTRC-SFHVURJKSA-N -1 3 383.883 3.590 20 0 GHADHM Cc1ccc2oc(SCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)nc2c1 ZINC000737378411 599167359 /nfs/dbraw/zinc/16/73/59/599167359.db2.gz BDXBZLMRNDGITL-UHFFFAOYSA-N -1 3 391.416 3.659 20 0 GHADHM Cc1ccc2oc(SCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)nc2c1 ZINC000737378411 599167361 /nfs/dbraw/zinc/16/73/61/599167361.db2.gz BDXBZLMRNDGITL-UHFFFAOYSA-N -1 3 391.416 3.659 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736190009 599168506 /nfs/dbraw/zinc/16/85/06/599168506.db2.gz DRCAGWGRXDYJGK-OLZOCXBDSA-N -1 3 397.479 3.854 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736190009 599168509 /nfs/dbraw/zinc/16/85/09/599168509.db2.gz DRCAGWGRXDYJGK-OLZOCXBDSA-N -1 3 397.479 3.854 20 0 GHADHM CCSc1ccccc1OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736665691 599165176 /nfs/dbraw/zinc/16/51/76/599165176.db2.gz HFBRECBGQUNHDU-UHFFFAOYSA-N -1 3 386.502 3.818 20 0 GHADHM CCSc1ccccc1OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736665691 599165178 /nfs/dbraw/zinc/16/51/78/599165178.db2.gz HFBRECBGQUNHDU-UHFFFAOYSA-N -1 3 386.502 3.818 20 0 GHADHM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737660579 599172062 /nfs/dbraw/zinc/17/20/62/599172062.db2.gz KJRPNIUQNWBUHX-KCJUWKMLSA-N -1 3 382.296 3.527 20 0 GHADHM Fc1cccc(F)c1[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737660579 599172064 /nfs/dbraw/zinc/17/20/64/599172064.db2.gz KJRPNIUQNWBUHX-KCJUWKMLSA-N -1 3 382.296 3.527 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736685931 599172684 /nfs/dbraw/zinc/17/26/84/599172684.db2.gz MWUQXDALOVKIMU-QWHCGFSZSA-N -1 3 399.495 3.926 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736685931 599172687 /nfs/dbraw/zinc/17/26/87/599172687.db2.gz MWUQXDALOVKIMU-QWHCGFSZSA-N -1 3 399.495 3.926 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736192932 599172903 /nfs/dbraw/zinc/17/29/03/599172903.db2.gz NTSYPKJHYBSCMU-CQSZACIVSA-N -1 3 399.495 3.924 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736192932 599172905 /nfs/dbraw/zinc/17/29/05/599172905.db2.gz NTSYPKJHYBSCMU-CQSZACIVSA-N -1 3 399.495 3.924 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736293867 599175190 /nfs/dbraw/zinc/17/51/90/599175190.db2.gz VLAFSBYWUJTZJM-GOEBONIOSA-N -1 3 378.505 3.689 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736293867 599175193 /nfs/dbraw/zinc/17/51/93/599175193.db2.gz VLAFSBYWUJTZJM-GOEBONIOSA-N -1 3 378.505 3.689 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735448877 599179338 /nfs/dbraw/zinc/17/93/38/599179338.db2.gz LZTQAPBHVFWOMF-FMIVXFBMSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735448877 599179340 /nfs/dbraw/zinc/17/93/40/599179340.db2.gz LZTQAPBHVFWOMF-FMIVXFBMSA-N -1 3 387.365 3.605 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737302972 599180175 /nfs/dbraw/zinc/18/01/75/599180175.db2.gz FRPGNTDSQBFVAI-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737302972 599180178 /nfs/dbraw/zinc/18/01/78/599180178.db2.gz FRPGNTDSQBFVAI-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821949003 599186025 /nfs/dbraw/zinc/18/60/25/599186025.db2.gz FCUAUJNIPPYUJZ-ZWKOTPCHSA-N -1 3 394.504 3.624 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)S1 ZINC000820742266 599187922 /nfs/dbraw/zinc/18/79/22/599187922.db2.gz IPACMQJGNCSSPZ-KBPBESRZSA-N -1 3 394.504 3.576 20 0 GHADHM CCCCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736461511 599189024 /nfs/dbraw/zinc/18/90/24/599189024.db2.gz VJLQORBJKIAORY-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM CCCCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736461511 599189027 /nfs/dbraw/zinc/18/90/27/599189027.db2.gz VJLQORBJKIAORY-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@@H]1Cc2ccccc21 ZINC000738208231 599186469 /nfs/dbraw/zinc/18/64/69/599186469.db2.gz KTLLXBFVHZALNZ-MRXNPFEDSA-N -1 3 399.479 3.972 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@@H]1Cc2ccccc21 ZINC000738208231 599186473 /nfs/dbraw/zinc/18/64/73/599186473.db2.gz KTLLXBFVHZALNZ-MRXNPFEDSA-N -1 3 399.479 3.972 20 0 GHADHM CCCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736416448 599187730 /nfs/dbraw/zinc/18/77/30/599187730.db2.gz NOEMADABQAFVMA-UHFFFAOYSA-N -1 3 381.440 3.754 20 0 GHADHM O=C(NCCC1CC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823182811 599192168 /nfs/dbraw/zinc/19/21/68/599192168.db2.gz OKSJXYDOFWICMR-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821034940 599195005 /nfs/dbraw/zinc/19/50/05/599195005.db2.gz WYPHUPINQUSSOG-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821034940 599195006 /nfs/dbraw/zinc/19/50/06/599195006.db2.gz WYPHUPINQUSSOG-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821034943 599195358 /nfs/dbraw/zinc/19/53/58/599195358.db2.gz WYPHUPINQUSSOG-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821034943 599195360 /nfs/dbraw/zinc/19/53/60/599195360.db2.gz WYPHUPINQUSSOG-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922272 599196633 /nfs/dbraw/zinc/19/66/33/599196633.db2.gz FAMVJFZGJAJRCQ-UHFFFAOYSA-N -1 3 395.532 3.831 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922272 599196634 /nfs/dbraw/zinc/19/66/34/599196634.db2.gz FAMVJFZGJAJRCQ-UHFFFAOYSA-N -1 3 395.532 3.831 20 0 GHADHM C[C@@H]1C[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736239678 599198793 /nfs/dbraw/zinc/19/87/93/599198793.db2.gz TUEUVMZTKWWOLQ-DGCLKSJQSA-N -1 3 383.839 3.698 20 0 GHADHM C[C@@H]1C[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736239678 599198796 /nfs/dbraw/zinc/19/87/96/599198796.db2.gz TUEUVMZTKWWOLQ-DGCLKSJQSA-N -1 3 383.839 3.698 20 0 GHADHM COCCN(C(=O)c1oc2c(cccc2C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989016 599203957 /nfs/dbraw/zinc/20/39/57/599203957.db2.gz UJYRZCDSGFNHLX-UHFFFAOYSA-N -1 3 391.431 3.523 20 0 GHADHM COCCN(C(=O)c1oc2c(cccc2C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989016 599203958 /nfs/dbraw/zinc/20/39/58/599203958.db2.gz UJYRZCDSGFNHLX-UHFFFAOYSA-N -1 3 391.431 3.523 20 0 GHADHM O=C(c1cscn1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738293214 599211434 /nfs/dbraw/zinc/21/14/34/599211434.db2.gz SIQKSYIRGMQTGH-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1cscn1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738293214 599211437 /nfs/dbraw/zinc/21/14/37/599211437.db2.gz SIQKSYIRGMQTGH-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738090115 599217581 /nfs/dbraw/zinc/21/75/81/599217581.db2.gz ZNDQLPAYAPMRCR-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738090115 599217584 /nfs/dbraw/zinc/21/75/84/599217584.db2.gz ZNDQLPAYAPMRCR-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM CC(C)COCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820103304 599220372 /nfs/dbraw/zinc/22/03/72/599220372.db2.gz UCMIEMTZIMWBOT-UHFFFAOYSA-N -1 3 399.426 3.799 20 0 GHADHM CC(C)COCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820103304 599220374 /nfs/dbraw/zinc/22/03/74/599220374.db2.gz UCMIEMTZIMWBOT-UHFFFAOYSA-N -1 3 399.426 3.799 20 0 GHADHM Fc1ccc(-n2ccc(CSCCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822761787 599223917 /nfs/dbraw/zinc/22/39/17/599223917.db2.gz SISCHWYIYHNEQX-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)cc2)c1 ZINC000737120362 599226347 /nfs/dbraw/zinc/22/63/47/599226347.db2.gz MQMXLFGJBJTSMP-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3sccc3-c3nn[n-]n3)cc2)c1 ZINC000737120362 599226350 /nfs/dbraw/zinc/22/63/50/599226350.db2.gz MQMXLFGJBJTSMP-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM Cc1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1Cl ZINC000822467071 607264077 /nfs/dbraw/zinc/26/40/77/607264077.db2.gz HARMUFHOGPNHMV-SECBINFHSA-N -1 3 378.219 3.795 20 0 GHADHM Cc1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1Cl ZINC000822467071 607264078 /nfs/dbraw/zinc/26/40/78/607264078.db2.gz HARMUFHOGPNHMV-SECBINFHSA-N -1 3 378.219 3.795 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1sccc1-c1nnn[n-]1 ZINC000738212533 599227965 /nfs/dbraw/zinc/22/79/65/599227965.db2.gz QZLNJRVKNDKIJS-VOTSOKGWSA-N -1 3 380.458 3.807 20 0 GHADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1sccc1-c1nn[n-]n1 ZINC000738212533 599227969 /nfs/dbraw/zinc/22/79/69/599227969.db2.gz QZLNJRVKNDKIJS-VOTSOKGWSA-N -1 3 380.458 3.807 20 0 GHADHM CCc1ccc(CSCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736691710 599237141 /nfs/dbraw/zinc/23/71/41/599237141.db2.gz OMXJHGIIPBFVCH-UHFFFAOYSA-N -1 3 387.896 3.954 20 0 GHADHM CCc1ccc(CSCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736691710 599237142 /nfs/dbraw/zinc/23/71/42/599237142.db2.gz OMXJHGIIPBFVCH-UHFFFAOYSA-N -1 3 387.896 3.954 20 0 GHADHM Cc1c(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cccc1-c1nnn[n-]1 ZINC000822110196 607266726 /nfs/dbraw/zinc/26/67/26/607266726.db2.gz ZTMZHKRAKREYFG-UHFFFAOYSA-N -1 3 398.854 3.675 20 0 GHADHM Cc1c(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822110196 607266727 /nfs/dbraw/zinc/26/67/27/607266727.db2.gz ZTMZHKRAKREYFG-UHFFFAOYSA-N -1 3 398.854 3.675 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)cc1 ZINC000822213924 607269909 /nfs/dbraw/zinc/26/99/09/607269909.db2.gz HEXMZYJVKRUQSB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)cc1 ZINC000822213924 607269910 /nfs/dbraw/zinc/26/99/10/607269910.db2.gz HEXMZYJVKRUQSB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000822459783 599248279 /nfs/dbraw/zinc/24/82/79/599248279.db2.gz WEDUAFHQQBAZNP-SNVBAGLBSA-N -1 3 379.449 3.668 20 0 GHADHM Cc1nc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000822459783 599248282 /nfs/dbraw/zinc/24/82/82/599248282.db2.gz WEDUAFHQQBAZNP-SNVBAGLBSA-N -1 3 379.449 3.668 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000821504182 607281960 /nfs/dbraw/zinc/28/19/60/607281960.db2.gz CTNBHWVEQRKJLV-LBPRGKRZSA-N -1 3 385.497 3.727 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000821504182 607281961 /nfs/dbraw/zinc/28/19/61/607281961.db2.gz CTNBHWVEQRKJLV-LBPRGKRZSA-N -1 3 385.497 3.727 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000737248006 599255201 /nfs/dbraw/zinc/25/52/01/599255201.db2.gz CQNYNZLYRBFJLS-LBPRGKRZSA-N -1 3 376.386 3.810 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000737248006 599255203 /nfs/dbraw/zinc/25/52/03/599255203.db2.gz CQNYNZLYRBFJLS-LBPRGKRZSA-N -1 3 376.386 3.810 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N2CCCC2)cc1 ZINC000818879189 597323416 /nfs/dbraw/zinc/32/34/16/597323416.db2.gz MGPFEERACCBGKN-HXUWFJFHSA-N -1 3 381.476 3.581 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821849959 607284687 /nfs/dbraw/zinc/28/46/87/607284687.db2.gz UGKLZPZXWZRGSB-LJQANCHMSA-N -1 3 392.463 3.725 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821849959 607284688 /nfs/dbraw/zinc/28/46/88/607284688.db2.gz UGKLZPZXWZRGSB-LJQANCHMSA-N -1 3 392.463 3.725 20 0 GHADHM Cc1c(NC(=O)NCCOc2cccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822096681 607286826 /nfs/dbraw/zinc/28/68/26/607286826.db2.gz PMZQMNOOPYGIEH-UHFFFAOYSA-N -1 3 388.431 3.529 20 0 GHADHM Cc1c(NC(=O)NCCOc2cccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822096681 607286827 /nfs/dbraw/zinc/28/68/27/607286827.db2.gz PMZQMNOOPYGIEH-UHFFFAOYSA-N -1 3 388.431 3.529 20 0 GHADHM COc1cccc(CN(CC(C)C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821867989 607287160 /nfs/dbraw/zinc/28/71/60/607287160.db2.gz NRSCJWMDNYBOBQ-UHFFFAOYSA-N -1 3 394.479 3.874 20 0 GHADHM COc1cccc(CN(CC(C)C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821867989 607287161 /nfs/dbraw/zinc/28/71/61/607287161.db2.gz NRSCJWMDNYBOBQ-UHFFFAOYSA-N -1 3 394.479 3.874 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147050 607299563 /nfs/dbraw/zinc/29/95/63/607299563.db2.gz DYONZRUZHGWFAR-QGQQYVBWSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147050 607299564 /nfs/dbraw/zinc/29/95/64/607299564.db2.gz DYONZRUZHGWFAR-QGQQYVBWSA-N -1 3 382.855 3.538 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000820152234 599263665 /nfs/dbraw/zinc/26/36/65/599263665.db2.gz VBFWVOSYLDSIIQ-GHTZIAJQSA-N -1 3 392.463 3.506 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000820152234 599263668 /nfs/dbraw/zinc/26/36/68/599263668.db2.gz VBFWVOSYLDSIIQ-GHTZIAJQSA-N -1 3 392.463 3.506 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc3c2OCCCO3)ccc1-c1nnn[n-]1 ZINC000822724039 607307664 /nfs/dbraw/zinc/30/76/64/607307664.db2.gz WYQDVSSOIYDVDT-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc3c2OCCCO3)ccc1-c1nn[n-]n1 ZINC000822724039 607307665 /nfs/dbraw/zinc/30/76/65/607307665.db2.gz WYQDVSSOIYDVDT-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM COc1ccc(CNc2ccc(OC(F)F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000821821552 607308031 /nfs/dbraw/zinc/30/80/31/607308031.db2.gz KMLCRBTUNRDWPO-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2ccc(OC(F)F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000821821552 607308032 /nfs/dbraw/zinc/30/80/32/607308032.db2.gz KMLCRBTUNRDWPO-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820901583 607308629 /nfs/dbraw/zinc/30/86/29/607308629.db2.gz CKSYCHMGLZQIMD-AWEZNQCLSA-N -1 3 381.484 3.648 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820901583 607308630 /nfs/dbraw/zinc/30/86/30/607308630.db2.gz CKSYCHMGLZQIMD-AWEZNQCLSA-N -1 3 381.484 3.648 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000823323552 607314748 /nfs/dbraw/zinc/31/47/48/607314748.db2.gz SJCFVJPFGHAZGQ-UHFFFAOYSA-N -1 3 397.442 3.598 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000823323552 607314749 /nfs/dbraw/zinc/31/47/49/607314749.db2.gz SJCFVJPFGHAZGQ-UHFFFAOYSA-N -1 3 397.442 3.598 20 0 GHADHM Cc1csc(-c2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc2)n1 ZINC000822408916 607315254 /nfs/dbraw/zinc/31/52/54/607315254.db2.gz INDOZURQEREWDT-UHFFFAOYSA-N -1 3 388.460 3.558 20 0 GHADHM Cc1csc(-c2ccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)cc2)n1 ZINC000822408916 607315255 /nfs/dbraw/zinc/31/52/55/607315255.db2.gz INDOZURQEREWDT-UHFFFAOYSA-N -1 3 388.460 3.558 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819951316 607316796 /nfs/dbraw/zinc/31/67/96/607316796.db2.gz SDBCXPHQELWCBL-RUZDIDTESA-N -1 3 375.523 3.588 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)[C@@H](C)c1cccc(O)c1 ZINC000821407535 599267030 /nfs/dbraw/zinc/26/70/30/599267030.db2.gz SQILFEPNIHAGDJ-ZDUSSCGKSA-N -1 3 396.451 3.586 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)[C@@H](C)c1cccc(O)c1 ZINC000821407535 599267034 /nfs/dbraw/zinc/26/70/34/599267034.db2.gz SQILFEPNIHAGDJ-ZDUSSCGKSA-N -1 3 396.451 3.586 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000822217908 599270226 /nfs/dbraw/zinc/27/02/26/599270226.db2.gz REKGUQCLKXPTDW-YJBOKZPZSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000822217908 599270228 /nfs/dbraw/zinc/27/02/28/599270228.db2.gz REKGUQCLKXPTDW-YJBOKZPZSA-N -1 3 376.464 3.833 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736815222 599276094 /nfs/dbraw/zinc/27/60/94/599276094.db2.gz XGIDLMOSRZRMIR-UHFFFAOYSA-N -1 3 382.512 3.757 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736815222 599276096 /nfs/dbraw/zinc/27/60/96/599276096.db2.gz XGIDLMOSRZRMIR-UHFFFAOYSA-N -1 3 382.512 3.757 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSCc1cccc(C)c1 ZINC000736488406 599277471 /nfs/dbraw/zinc/27/74/71/599277471.db2.gz OISYRUUQHCINGB-UHFFFAOYSA-N -1 3 396.520 3.869 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000735873622 599279321 /nfs/dbraw/zinc/27/93/21/599279321.db2.gz IWKMMARIFOBPTD-UHFFFAOYSA-N -1 3 399.505 3.980 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000735873622 599279325 /nfs/dbraw/zinc/27/93/25/599279325.db2.gz IWKMMARIFOBPTD-UHFFFAOYSA-N -1 3 399.505 3.980 20 0 GHADHM CCSCc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821462290 599283635 /nfs/dbraw/zinc/28/36/35/599283635.db2.gz YQPIKTYGWCUDQW-UHFFFAOYSA-N -1 3 386.456 3.581 20 0 GHADHM CCSCc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821462290 599283637 /nfs/dbraw/zinc/28/36/37/599283637.db2.gz YQPIKTYGWCUDQW-UHFFFAOYSA-N -1 3 386.456 3.581 20 0 GHADHM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820307368 599288025 /nfs/dbraw/zinc/28/80/25/599288025.db2.gz MCXYMDUESUBEDT-SECBINFHSA-N -1 3 396.398 3.700 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820379587 599286036 /nfs/dbraw/zinc/28/60/36/599286036.db2.gz DRRBTPIXBWTPRJ-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820379587 599286039 /nfs/dbraw/zinc/28/60/39/599286039.db2.gz DRRBTPIXBWTPRJ-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](Sc1nnc(NCc2ccco2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191857 599286725 /nfs/dbraw/zinc/28/67/25/599286725.db2.gz JELGKTZXFCJPQS-SNVBAGLBSA-N -1 3 385.478 3.777 20 0 GHADHM C[C@@H](Sc1nnc(NCc2ccco2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191857 599286728 /nfs/dbraw/zinc/28/67/28/599286728.db2.gz JELGKTZXFCJPQS-SNVBAGLBSA-N -1 3 385.478 3.777 20 0 GHADHM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820307368 599288023 /nfs/dbraw/zinc/28/80/23/599288023.db2.gz MCXYMDUESUBEDT-SECBINFHSA-N -1 3 396.398 3.700 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cccc1-c1nnn[n-]1 ZINC000822104305 607321225 /nfs/dbraw/zinc/32/12/25/607321225.db2.gz MFVJNDYMHZNVHP-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cccc1-c1nn[n-]n1 ZINC000822104305 607321226 /nfs/dbraw/zinc/32/12/26/607321226.db2.gz MFVJNDYMHZNVHP-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820951199 599291685 /nfs/dbraw/zinc/29/16/85/599291685.db2.gz WGROQAFHQQMXRT-INIZCTEOSA-N -1 3 382.390 3.930 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820951199 599291687 /nfs/dbraw/zinc/29/16/87/599291687.db2.gz WGROQAFHQQMXRT-INIZCTEOSA-N -1 3 382.390 3.930 20 0 GHADHM CCN(C(=O)[C@@H]1CSc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502102 599292160 /nfs/dbraw/zinc/29/21/60/599292160.db2.gz JZLWNPRFEGTLSX-SUMWQHHRSA-N -1 3 379.489 3.666 20 0 GHADHM CCN(C(=O)[C@@H]1CSc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502102 599292162 /nfs/dbraw/zinc/29/21/62/599292162.db2.gz JZLWNPRFEGTLSX-SUMWQHHRSA-N -1 3 379.489 3.666 20 0 GHADHM CCC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000820842627 607325852 /nfs/dbraw/zinc/32/58/52/607325852.db2.gz OTOFCGIKEQBKBB-NSHDSACASA-N -1 3 398.854 3.552 20 0 GHADHM CCC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000820842627 607325853 /nfs/dbraw/zinc/32/58/53/607325853.db2.gz OTOFCGIKEQBKBB-NSHDSACASA-N -1 3 398.854 3.552 20 0 GHADHM C[C@H](c1ccc(F)cc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736199429 598250184 /nfs/dbraw/zinc/25/01/84/598250184.db2.gz OOFHCKNLNOBWAZ-CYBMUJFWSA-N -1 3 385.418 3.749 20 0 GHADHM Cn1c2ccccc2nc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737593451 598275092 /nfs/dbraw/zinc/27/50/92/598275092.db2.gz RFDPGBQWWZEPEJ-OAQYLSRUSA-N -1 3 395.470 3.633 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000737059168 598278856 /nfs/dbraw/zinc/27/88/56/598278856.db2.gz RAMLUBVWBOHXKL-UHFFFAOYSA-N -1 3 399.454 3.820 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000737059168 598278858 /nfs/dbraw/zinc/27/88/58/598278858.db2.gz RAMLUBVWBOHXKL-UHFFFAOYSA-N -1 3 399.454 3.820 20 0 GHADHM CCSc1ccc(Cl)cc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736665050 598284968 /nfs/dbraw/zinc/28/49/68/598284968.db2.gz DUIOODHFGGYUHP-UHFFFAOYSA-N -1 3 388.884 3.683 20 0 GHADHM CCSc1ccc(Cl)cc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736665050 598284970 /nfs/dbraw/zinc/28/49/70/598284970.db2.gz DUIOODHFGGYUHP-UHFFFAOYSA-N -1 3 388.884 3.683 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737852046 598290310 /nfs/dbraw/zinc/29/03/10/598290310.db2.gz AQXYTSGKCJQARM-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737852046 598290311 /nfs/dbraw/zinc/29/03/11/598290311.db2.gz AQXYTSGKCJQARM-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735639886 598296846 /nfs/dbraw/zinc/29/68/46/598296846.db2.gz SDXUXIUKMNPOTE-VAWYXSNFSA-N -1 3 391.475 3.511 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735639886 598296848 /nfs/dbraw/zinc/29/68/48/598296848.db2.gz SDXUXIUKMNPOTE-VAWYXSNFSA-N -1 3 391.475 3.511 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328331 598297351 /nfs/dbraw/zinc/29/73/51/598297351.db2.gz OFVHQQGJRAIPDI-QBXVWJGDSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328331 598297352 /nfs/dbraw/zinc/29/73/52/598297352.db2.gz OFVHQQGJRAIPDI-QBXVWJGDSA-N -1 3 391.475 3.935 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737287113 598300957 /nfs/dbraw/zinc/30/09/57/598300957.db2.gz DJRVJHSHGKWGCG-OAHLLOKOSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737287113 598300958 /nfs/dbraw/zinc/30/09/58/598300958.db2.gz DJRVJHSHGKWGCG-OAHLLOKOSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000737294359 598302620 /nfs/dbraw/zinc/30/26/20/598302620.db2.gz MFLXQRXBYAEOGY-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000737294359 598302622 /nfs/dbraw/zinc/30/26/22/598302622.db2.gz MFLXQRXBYAEOGY-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2n1C(F)F ZINC000736133222 598313262 /nfs/dbraw/zinc/31/32/62/598313262.db2.gz GGVCLBLHZVJTSB-JTQLQIEISA-N -1 3 387.369 3.601 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2n1C(F)F ZINC000736133222 598313265 /nfs/dbraw/zinc/31/32/65/598313265.db2.gz GGVCLBLHZVJTSB-JTQLQIEISA-N -1 3 387.369 3.601 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1F ZINC000737659685 598317937 /nfs/dbraw/zinc/31/79/37/598317937.db2.gz LZIFBHSJSCBLHS-UHFFFAOYSA-N -1 3 384.774 3.746 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1F ZINC000737659685 598317939 /nfs/dbraw/zinc/31/79/39/598317939.db2.gz LZIFBHSJSCBLHS-UHFFFAOYSA-N -1 3 384.774 3.746 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc2cnccc21 ZINC000738408486 598318347 /nfs/dbraw/zinc/31/83/47/598318347.db2.gz MAROPNZXQFISPA-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc2cnccc21 ZINC000738408486 598318350 /nfs/dbraw/zinc/31/83/50/598318350.db2.gz MAROPNZXQFISPA-UHFFFAOYSA-N -1 3 381.852 3.877 20 0 GHADHM CN(Cc1ccc(F)cc1F)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736819324 598318854 /nfs/dbraw/zinc/31/88/54/598318854.db2.gz JPPJIYMTPREKMU-UHFFFAOYSA-N -1 3 394.838 3.627 20 0 GHADHM CN(Cc1ccc(F)cc1F)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736819324 598318856 /nfs/dbraw/zinc/31/88/56/598318856.db2.gz JPPJIYMTPREKMU-UHFFFAOYSA-N -1 3 394.838 3.627 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000738151173 598323474 /nfs/dbraw/zinc/32/34/74/598323474.db2.gz GSQMAKXMHCHSGB-QGZVFWFLSA-N -1 3 398.854 3.516 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000738151173 598323476 /nfs/dbraw/zinc/32/34/76/598323476.db2.gz GSQMAKXMHCHSGB-QGZVFWFLSA-N -1 3 398.854 3.516 20 0 GHADHM CCOCc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736626527 598323812 /nfs/dbraw/zinc/32/38/12/598323812.db2.gz RKZYRQDQTVHGLL-UHFFFAOYSA-N -1 3 388.884 3.866 20 0 GHADHM CCOCc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736626527 598323814 /nfs/dbraw/zinc/32/38/14/598323814.db2.gz RKZYRQDQTVHGLL-UHFFFAOYSA-N -1 3 388.884 3.866 20 0 GHADHM CC[C@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736355340 598331825 /nfs/dbraw/zinc/33/18/25/598331825.db2.gz ZIBWFWUSDKRLNC-MRXNPFEDSA-N -1 3 382.489 3.837 20 0 GHADHM CC[C@H](COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736355340 598331827 /nfs/dbraw/zinc/33/18/27/598331827.db2.gz ZIBWFWUSDKRLNC-MRXNPFEDSA-N -1 3 382.489 3.837 20 0 GHADHM c1c(CSc2nnc(-c3ccccc3)s2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738423708 598360196 /nfs/dbraw/zinc/36/01/96/598360196.db2.gz SWKBIVRBKSIPGV-UHFFFAOYSA-N -1 3 391.485 3.930 20 0 GHADHM c1c(CSc2nnc(-c3ccccc3)s2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738423708 598360198 /nfs/dbraw/zinc/36/01/98/598360198.db2.gz SWKBIVRBKSIPGV-UHFFFAOYSA-N -1 3 391.485 3.930 20 0 GHADHM Fc1cccc(NCC2(c3ccccc3Cl)CCOCC2)c1-c1nnn[n-]1 ZINC000737663870 598365018 /nfs/dbraw/zinc/36/50/18/598365018.db2.gz KQTSULOYWNZDNR-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1cccc(NCC2(c3ccccc3Cl)CCOCC2)c1-c1nn[n-]n1 ZINC000737663870 598365020 /nfs/dbraw/zinc/36/50/20/598365020.db2.gz KQTSULOYWNZDNR-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736120380 598369378 /nfs/dbraw/zinc/36/93/78/598369378.db2.gz ZBTFOZBOBNMXCR-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736120380 598369379 /nfs/dbraw/zinc/36/93/79/598369379.db2.gz ZBTFOZBOBNMXCR-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1csc2ccccc12 ZINC000736117165 598371097 /nfs/dbraw/zinc/37/10/97/598371097.db2.gz IDFNFDSYKSJGAV-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1csc2ccccc12 ZINC000736117165 598371099 /nfs/dbraw/zinc/37/10/99/598371099.db2.gz IDFNFDSYKSJGAV-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113501 598371404 /nfs/dbraw/zinc/37/14/04/598371404.db2.gz OTVKAWJASSOZQP-FUHWJXTLSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113501 598371406 /nfs/dbraw/zinc/37/14/06/598371406.db2.gz OTVKAWJASSOZQP-FUHWJXTLSA-N -1 3 390.491 3.592 20 0 GHADHM COc1ccc2oc([C@H](C)Nc3nnc(C)c(C)c3-c3nnn[n-]3)c(C)c2c1 ZINC000737119490 598388359 /nfs/dbraw/zinc/38/83/59/598388359.db2.gz BNGDENGYPCYGNV-LBPRGKRZSA-N -1 3 379.424 3.510 20 0 GHADHM COc1ccc2oc([C@H](C)Nc3nnc(C)c(C)c3-c3nn[n-]n3)c(C)c2c1 ZINC000737119490 598388360 /nfs/dbraw/zinc/38/83/60/598388360.db2.gz BNGDENGYPCYGNV-LBPRGKRZSA-N -1 3 379.424 3.510 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000737128336 598394571 /nfs/dbraw/zinc/39/45/71/598394571.db2.gz CRYHPQKUSNKHLL-LSDHHAIUSA-N -1 3 395.488 3.558 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000737128336 598394572 /nfs/dbraw/zinc/39/45/72/598394572.db2.gz CRYHPQKUSNKHLL-LSDHHAIUSA-N -1 3 395.488 3.558 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736162619 598414116 /nfs/dbraw/zinc/41/41/16/598414116.db2.gz DCUGBDNOXRQFBD-VIFPVBQESA-N -1 3 379.203 3.546 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736162619 598414117 /nfs/dbraw/zinc/41/41/17/598414117.db2.gz DCUGBDNOXRQFBD-VIFPVBQESA-N -1 3 379.203 3.546 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737471085 598414184 /nfs/dbraw/zinc/41/41/84/598414184.db2.gz NMOUFIZPDGFVFF-SECBINFHSA-N -1 3 391.888 3.818 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737471085 598414186 /nfs/dbraw/zinc/41/41/86/598414186.db2.gz NMOUFIZPDGFVFF-SECBINFHSA-N -1 3 391.888 3.818 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099600 598416764 /nfs/dbraw/zinc/41/67/64/598416764.db2.gz JOYCJFPYHHWNNO-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099600 598416765 /nfs/dbraw/zinc/41/67/65/598416765.db2.gz JOYCJFPYHHWNNO-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OCc1cccs1 ZINC000738165268 598422191 /nfs/dbraw/zinc/42/21/91/598422191.db2.gz HYGKRWWFBGTFDF-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OCc1cccs1 ZINC000738165268 598422192 /nfs/dbraw/zinc/42/21/92/598422192.db2.gz HYGKRWWFBGTFDF-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736120235 598432579 /nfs/dbraw/zinc/43/25/79/598432579.db2.gz YRFARRHRIVAOOO-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736120235 598432581 /nfs/dbraw/zinc/43/25/81/598432581.db2.gz YRFARRHRIVAOOO-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735734896 598442581 /nfs/dbraw/zinc/44/25/81/598442581.db2.gz KJVNPRCSWGSPGO-LJQANCHMSA-N -1 3 395.532 3.783 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735734896 598442583 /nfs/dbraw/zinc/44/25/83/598442583.db2.gz KJVNPRCSWGSPGO-LJQANCHMSA-N -1 3 395.532 3.783 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000735992444 598445042 /nfs/dbraw/zinc/44/50/42/598445042.db2.gz GMPXEJFAZATOKK-JXFKEZNVSA-N -1 3 393.491 3.532 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000735992444 598445043 /nfs/dbraw/zinc/44/50/43/598445043.db2.gz GMPXEJFAZATOKK-JXFKEZNVSA-N -1 3 393.491 3.532 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CC1CCCCC1)CC1CCCCC1 ZINC000738262054 598449718 /nfs/dbraw/zinc/44/97/18/598449718.db2.gz ZJGPAWXZPLLLPC-UHFFFAOYSA-N -1 3 382.512 3.865 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CC1CCCCC1)CC1CCCCC1 ZINC000738262054 598449719 /nfs/dbraw/zinc/44/97/19/598449719.db2.gz ZJGPAWXZPLLLPC-UHFFFAOYSA-N -1 3 382.512 3.865 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737853232 598456838 /nfs/dbraw/zinc/45/68/38/598456838.db2.gz RDAHUZBKEBGURE-IBGZPJMESA-N -1 3 375.476 3.596 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000737853232 598456839 /nfs/dbraw/zinc/45/68/39/598456839.db2.gz RDAHUZBKEBGURE-IBGZPJMESA-N -1 3 375.476 3.596 20 0 GHADHM FC(F)(F)c1ccc(Cn2nccc2NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737635439 598467016 /nfs/dbraw/zinc/46/70/16/598467016.db2.gz FUZQXALJGPBAFJ-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(Cn2nccc2NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737635439 598467017 /nfs/dbraw/zinc/46/70/17/598467017.db2.gz FUZQXALJGPBAFJ-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000736637678 598467439 /nfs/dbraw/zinc/46/74/39/598467439.db2.gz YGFQMEXXRGNSLZ-BNLOLNQZSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000736637678 598467440 /nfs/dbraw/zinc/46/74/40/598467440.db2.gz YGFQMEXXRGNSLZ-BNLOLNQZSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000736637595 598467589 /nfs/dbraw/zinc/46/75/89/598467589.db2.gz WLKNPJAIMGDNDJ-MIUNTBIASA-N -1 3 395.438 3.696 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737425584 598479869 /nfs/dbraw/zinc/47/98/69/598479869.db2.gz AZEDSETZHLBSKG-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737425584 598479870 /nfs/dbraw/zinc/47/98/70/598479870.db2.gz AZEDSETZHLBSKG-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731039 598514461 /nfs/dbraw/zinc/51/44/61/598514461.db2.gz GAEOLRNROAZXOV-KGLIPLIRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731039 598514463 /nfs/dbraw/zinc/51/44/63/598514463.db2.gz GAEOLRNROAZXOV-KGLIPLIRSA-N -1 3 388.258 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc(-n3cccc3)c2)c1-c1nnn[n-]1 ZINC000736677142 598517984 /nfs/dbraw/zinc/51/79/84/598517984.db2.gz ZZJDYZIHVRTTCD-UHFFFAOYSA-N -1 3 378.461 3.842 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc(-n3cccc3)c2)c1-c1nn[n-]n1 ZINC000736677142 598517985 /nfs/dbraw/zinc/51/79/85/598517985.db2.gz ZZJDYZIHVRTTCD-UHFFFAOYSA-N -1 3 378.461 3.842 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737023404 598533269 /nfs/dbraw/zinc/53/32/69/598533269.db2.gz DXXLKVAYAKROPA-QZTJIDSGSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737023404 598533271 /nfs/dbraw/zinc/53/32/71/598533271.db2.gz DXXLKVAYAKROPA-QZTJIDSGSA-N -1 3 386.411 3.738 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000735978094 598541758 /nfs/dbraw/zinc/54/17/58/598541758.db2.gz UAGSFHKRJJWIAB-AWEZNQCLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000735978094 598541759 /nfs/dbraw/zinc/54/17/59/598541759.db2.gz UAGSFHKRJJWIAB-AWEZNQCLSA-N -1 3 377.448 3.820 20 0 GHADHM Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737214733 598546362 /nfs/dbraw/zinc/54/63/62/598546362.db2.gz PFESIEBFMNIYNX-UHFFFAOYSA-N -1 3 385.330 3.775 20 0 GHADHM Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737214733 598546363 /nfs/dbraw/zinc/54/63/63/598546363.db2.gz PFESIEBFMNIYNX-UHFFFAOYSA-N -1 3 385.330 3.775 20 0 GHADHM O=C1Oc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738314919 598546708 /nfs/dbraw/zinc/54/67/08/598546708.db2.gz YKGPDYLFPIQTAK-MOSHPQCFSA-N -1 3 396.406 3.905 20 0 GHADHM O=C1Oc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738314919 598546709 /nfs/dbraw/zinc/54/67/09/598546709.db2.gz YKGPDYLFPIQTAK-MOSHPQCFSA-N -1 3 396.406 3.905 20 0 GHADHM CCOc1ccc(Br)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736638345 598552617 /nfs/dbraw/zinc/55/26/17/598552617.db2.gz WQKYETJAVLNMFT-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1ccc(Br)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736638345 598552618 /nfs/dbraw/zinc/55/26/18/598552618.db2.gz WQKYETJAVLNMFT-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CSC[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737178777 598553230 /nfs/dbraw/zinc/55/32/30/598553230.db2.gz DDTFOBFZHWTJMK-AWEZNQCLSA-N -1 3 399.495 3.534 20 0 GHADHM CSC[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737178777 598553232 /nfs/dbraw/zinc/55/32/32/598553232.db2.gz DDTFOBFZHWTJMK-AWEZNQCLSA-N -1 3 399.495 3.534 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119171 598555101 /nfs/dbraw/zinc/55/51/01/598555101.db2.gz RFBTYBVVBHZGQP-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119171 598555103 /nfs/dbraw/zinc/55/51/03/598555103.db2.gz RFBTYBVVBHZGQP-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736324052 598558699 /nfs/dbraw/zinc/55/86/99/598558699.db2.gz GNRXUIJKPDSXQE-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736324052 598558700 /nfs/dbraw/zinc/55/87/00/598558700.db2.gz GNRXUIJKPDSXQE-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N1CC[C@@H](C)C1 ZINC000737279783 598559216 /nfs/dbraw/zinc/55/92/16/598559216.db2.gz MUXFOGNUJYZCCZ-CQSZACIVSA-N -1 3 392.463 3.628 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N1CC[C@@H](C)C1 ZINC000737279783 598559217 /nfs/dbraw/zinc/55/92/17/598559217.db2.gz MUXFOGNUJYZCCZ-CQSZACIVSA-N -1 3 392.463 3.628 20 0 GHADHM O=C(Cc1ccccc1O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737973084 598564458 /nfs/dbraw/zinc/56/44/58/598564458.db2.gz AHOUHYGTEKGIQX-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Cc1ccccc1O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737973084 598564459 /nfs/dbraw/zinc/56/44/59/598564459.db2.gz AHOUHYGTEKGIQX-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM FC(F)(F)c1cc(NCc2cn3cc(Cl)ccc3n2)ccc1-c1nnn[n-]1 ZINC000737631485 598573785 /nfs/dbraw/zinc/57/37/85/598573785.db2.gz DUAUOFAEFLNUDH-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM FC(F)(F)c1cc(NCc2cn3cc(Cl)ccc3n2)ccc1-c1nn[n-]n1 ZINC000737631485 598573787 /nfs/dbraw/zinc/57/37/87/598573787.db2.gz DUAUOFAEFLNUDH-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM COCCOc1ccccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737013874 598576428 /nfs/dbraw/zinc/57/64/28/598576428.db2.gz MLHLEQNDPBOQHZ-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737013874 598576430 /nfs/dbraw/zinc/57/64/30/598576430.db2.gz MLHLEQNDPBOQHZ-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736192752 598584255 /nfs/dbraw/zinc/58/42/55/598584255.db2.gz NGPWIHCIALIWTC-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736192752 598584256 /nfs/dbraw/zinc/58/42/56/598584256.db2.gz NGPWIHCIALIWTC-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH]c21 ZINC000736695016 598586252 /nfs/dbraw/zinc/58/62/52/598586252.db2.gz GKYUURIRVGSLGB-UHFFFAOYSA-N -1 3 380.839 3.745 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c[nH]c21 ZINC000736695016 598586254 /nfs/dbraw/zinc/58/62/54/598586254.db2.gz GKYUURIRVGSLGB-UHFFFAOYSA-N -1 3 380.839 3.745 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735640186 598588359 /nfs/dbraw/zinc/58/83/59/598588359.db2.gz ZWOYSLXUBXBGAQ-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735640186 598588361 /nfs/dbraw/zinc/58/83/61/598588361.db2.gz ZWOYSLXUBXBGAQ-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738040075 598588456 /nfs/dbraw/zinc/58/84/56/598588456.db2.gz OCNUVPORBTWAGK-UHFFFAOYSA-N -1 3 379.489 3.702 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738040075 598588458 /nfs/dbraw/zinc/58/84/58/598588458.db2.gz OCNUVPORBTWAGK-UHFFFAOYSA-N -1 3 379.489 3.702 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000736187230 598612293 /nfs/dbraw/zinc/61/22/93/598612293.db2.gz GQJSDGOZAGJJIL-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000736187230 598612295 /nfs/dbraw/zinc/61/22/95/598612295.db2.gz GQJSDGOZAGJJIL-LLVKDONJSA-N -1 3 382.811 3.634 20 0 GHADHM O=C(OCc1csc(-c2ccccc2F)n1)c1sccc1-c1nnn[n-]1 ZINC000738245886 598619377 /nfs/dbraw/zinc/61/93/77/598619377.db2.gz ZOPKFLCHKMMBNT-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736170023 598624172 /nfs/dbraw/zinc/62/41/72/598624172.db2.gz QPAXGPIZDBUOMT-AWEZNQCLSA-N -1 3 392.463 3.627 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738161511 598626676 /nfs/dbraw/zinc/62/66/76/598626676.db2.gz FAPMSNNNNDPDHT-HNNXBMFYSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738161511 598626677 /nfs/dbraw/zinc/62/66/77/598626677.db2.gz FAPMSNNNNDPDHT-HNNXBMFYSA-N -1 3 380.427 3.807 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736829006 598629503 /nfs/dbraw/zinc/62/95/03/598629503.db2.gz USSHGGKRJLZXOE-UHFFFAOYSA-N -1 3 376.395 3.823 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736829006 598629505 /nfs/dbraw/zinc/62/95/05/598629505.db2.gz USSHGGKRJLZXOE-UHFFFAOYSA-N -1 3 376.395 3.823 20 0 GHADHM O=C(NCc1c(Cl)cccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738095203 598629825 /nfs/dbraw/zinc/62/98/25/598629825.db2.gz QQQWLXOGVUFYJC-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1c(Cl)cccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738095203 598629826 /nfs/dbraw/zinc/62/98/26/598629826.db2.gz QQQWLXOGVUFYJC-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000738166499 598634971 /nfs/dbraw/zinc/63/49/71/598634971.db2.gz JWHRPQZTODMMTD-MRXNPFEDSA-N -1 3 386.818 3.932 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000738166499 598634973 /nfs/dbraw/zinc/63/49/73/598634973.db2.gz JWHRPQZTODMMTD-MRXNPFEDSA-N -1 3 386.818 3.932 20 0 GHADHM Cc1sc2nc(SCc3ccc(F)cc3-c3nnn[n-]3)nc(N)c2c1C ZINC000737564735 598645174 /nfs/dbraw/zinc/64/51/74/598645174.db2.gz SGROZCVJUXDROG-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM Cc1sc2nc(SCc3ccc(F)cc3-c3nn[n-]n3)nc(N)c2c1C ZINC000737564735 598645176 /nfs/dbraw/zinc/64/51/76/598645176.db2.gz SGROZCVJUXDROG-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736197677 598648000 /nfs/dbraw/zinc/64/80/00/598648000.db2.gz CGNSLVROIWEEOS-OAHLLOKOSA-N -1 3 397.454 3.775 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736197677 598648002 /nfs/dbraw/zinc/64/80/02/598648002.db2.gz CGNSLVROIWEEOS-OAHLLOKOSA-N -1 3 397.454 3.775 20 0 GHADHM O=C(NCCC1CCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738056202 598651916 /nfs/dbraw/zinc/65/19/16/598651916.db2.gz STKMDIHMMLFIFL-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM O=C(NCCC1CCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738056202 598651918 /nfs/dbraw/zinc/65/19/18/598651918.db2.gz STKMDIHMMLFIFL-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM Cc1cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737246924 598652394 /nfs/dbraw/zinc/65/23/94/598652394.db2.gz VPRJSIWAWNDJNC-AWEZNQCLSA-N -1 3 399.520 3.972 20 0 GHADHM Cc1cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737246924 598652395 /nfs/dbraw/zinc/65/23/95/598652395.db2.gz VPRJSIWAWNDJNC-AWEZNQCLSA-N -1 3 399.520 3.972 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736399139 598652472 /nfs/dbraw/zinc/65/24/72/598652472.db2.gz FCAAYAWBASKGTO-KDOFPFPSSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736399139 598652474 /nfs/dbraw/zinc/65/24/74/598652474.db2.gz FCAAYAWBASKGTO-KDOFPFPSSA-N -1 3 392.463 3.753 20 0 GHADHM CCC(CC)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000736345247 598652611 /nfs/dbraw/zinc/65/26/11/598652611.db2.gz GXPSMKFPQIMANP-UHFFFAOYSA-N -1 3 392.463 3.847 20 0 GHADHM CCC(CC)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000736345247 598652612 /nfs/dbraw/zinc/65/26/12/598652612.db2.gz GXPSMKFPQIMANP-UHFFFAOYSA-N -1 3 392.463 3.847 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736325497 598652838 /nfs/dbraw/zinc/65/28/38/598652838.db2.gz KLDNNOUGDTYENY-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1CCC(c2ccccc2)CC1 ZINC000737941466 598652817 /nfs/dbraw/zinc/65/28/17/598652817.db2.gz BSNOXYMWVUXBNC-UHFFFAOYSA-N -1 3 393.516 3.801 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1CCC(c2ccccc2)CC1 ZINC000737941466 598652818 /nfs/dbraw/zinc/65/28/18/598652818.db2.gz BSNOXYMWVUXBNC-UHFFFAOYSA-N -1 3 393.516 3.801 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736325497 598652840 /nfs/dbraw/zinc/65/28/40/598652840.db2.gz KLDNNOUGDTYENY-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM Cc1ccsc1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737443450 598653835 /nfs/dbraw/zinc/65/38/35/598653835.db2.gz WDHDWKCAYBSNSG-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM Cc1ccsc1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737443450 598653837 /nfs/dbraw/zinc/65/38/37/598653837.db2.gz WDHDWKCAYBSNSG-UHFFFAOYSA-N -1 3 391.456 3.959 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000735964356 598655940 /nfs/dbraw/zinc/65/59/40/598655940.db2.gz YWUUSADHBDEZPU-UHFFFAOYSA-N -1 3 393.476 3.528 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000735964356 598655941 /nfs/dbraw/zinc/65/59/41/598655941.db2.gz YWUUSADHBDEZPU-UHFFFAOYSA-N -1 3 393.476 3.528 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735976333 598656278 /nfs/dbraw/zinc/65/62/78/598656278.db2.gz LSFFLWHSQHCRPA-OAHLLOKOSA-N -1 3 395.532 3.831 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735976333 598656279 /nfs/dbraw/zinc/65/62/79/598656279.db2.gz LSFFLWHSQHCRPA-OAHLLOKOSA-N -1 3 395.532 3.831 20 0 GHADHM CC1(C)CC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000736209633 598657011 /nfs/dbraw/zinc/65/70/11/598657011.db2.gz BWWMWXBMGORRQG-SFHVURJKSA-N -1 3 393.516 3.888 20 0 GHADHM CC1(C)CC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736209633 598657013 /nfs/dbraw/zinc/65/70/13/598657013.db2.gz BWWMWXBMGORRQG-SFHVURJKSA-N -1 3 393.516 3.888 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000736140324 598664340 /nfs/dbraw/zinc/66/43/40/598664340.db2.gz UBXJKHXGNSLPBL-NSHDSACASA-N -1 3 384.827 3.650 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000736140324 598664341 /nfs/dbraw/zinc/66/43/41/598664341.db2.gz UBXJKHXGNSLPBL-NSHDSACASA-N -1 3 384.827 3.650 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748938 598664405 /nfs/dbraw/zinc/66/44/05/598664405.db2.gz ZEFATZAKEHBUMI-AEFFLSMTSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735748938 598664407 /nfs/dbraw/zinc/66/44/07/598664407.db2.gz ZEFATZAKEHBUMI-AEFFLSMTSA-N -1 3 385.512 3.747 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000736134270 598664599 /nfs/dbraw/zinc/66/45/99/598664599.db2.gz AJBFRQDCCVNIEK-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000736134270 598664600 /nfs/dbraw/zinc/66/46/00/598664600.db2.gz AJBFRQDCCVNIEK-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM CC[C@@](C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313515 598664835 /nfs/dbraw/zinc/66/48/35/598664835.db2.gz FQOKYFSTDBLEOZ-JOCHJYFZSA-N -1 3 393.491 3.857 20 0 GHADHM CC[C@@](C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313515 598664836 /nfs/dbraw/zinc/66/48/36/598664836.db2.gz FQOKYFSTDBLEOZ-JOCHJYFZSA-N -1 3 393.491 3.857 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000738191481 598673315 /nfs/dbraw/zinc/67/33/15/598673315.db2.gz LPXMHXZKGNXREG-UHFFFAOYSA-N -1 3 386.419 3.518 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000738191481 598673316 /nfs/dbraw/zinc/67/33/16/598673316.db2.gz LPXMHXZKGNXREG-UHFFFAOYSA-N -1 3 386.419 3.518 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000738267707 598695748 /nfs/dbraw/zinc/69/57/48/598695748.db2.gz LQMQGWSQQYOHMU-UHFFFAOYSA-N -1 3 390.422 3.507 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000738267707 598695750 /nfs/dbraw/zinc/69/57/50/598695750.db2.gz LQMQGWSQQYOHMU-UHFFFAOYSA-N -1 3 390.422 3.507 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736557871 598696433 /nfs/dbraw/zinc/69/64/33/598696433.db2.gz CWXLBWNNAHIEBZ-AWEZNQCLSA-N -1 3 399.495 3.676 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736557871 598696435 /nfs/dbraw/zinc/69/64/35/598696435.db2.gz CWXLBWNNAHIEBZ-AWEZNQCLSA-N -1 3 399.495 3.676 20 0 GHADHM Cc1ccc(O)c(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737365047 598700323 /nfs/dbraw/zinc/70/03/23/598700323.db2.gz OHKJDLHPNDMQDH-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738220897 598712600 /nfs/dbraw/zinc/71/26/00/598712600.db2.gz IWKZYLXYEDKZMO-UHFFFAOYSA-N -1 3 378.310 3.768 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738220897 598712602 /nfs/dbraw/zinc/71/26/02/598712602.db2.gz IWKZYLXYEDKZMO-UHFFFAOYSA-N -1 3 378.310 3.768 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000738100546 598731060 /nfs/dbraw/zinc/73/10/60/598731060.db2.gz QEPRNLFVHCUVKL-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000738100546 598731063 /nfs/dbraw/zinc/73/10/63/598731063.db2.gz QEPRNLFVHCUVKL-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000735828922 598741076 /nfs/dbraw/zinc/74/10/76/598741076.db2.gz BYNBIGJUANKEDJ-QGZVFWFLSA-N -1 3 377.492 3.730 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000735828922 598741078 /nfs/dbraw/zinc/74/10/78/598741078.db2.gz BYNBIGJUANKEDJ-QGZVFWFLSA-N -1 3 377.492 3.730 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735920992 598743879 /nfs/dbraw/zinc/74/38/79/598743879.db2.gz DLXAVYSMXRAZQO-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM O=C(/C=C\C1CCOCC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737795713 598760014 /nfs/dbraw/zinc/76/00/14/598760014.db2.gz LCBXTOSVSIMBPK-YFHOEESVSA-N -1 3 390.443 3.560 20 0 GHADHM O=C(/C=C\C1CCOCC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737795713 598760015 /nfs/dbraw/zinc/76/00/15/598760015.db2.gz LCBXTOSVSIMBPK-YFHOEESVSA-N -1 3 390.443 3.560 20 0 GHADHM Fc1ccc(OCc2nc(COc3ccccc3-c3nnn[n-]3)cs2)cc1 ZINC000737657607 598762688 /nfs/dbraw/zinc/76/26/88/598762688.db2.gz XVSVLWJETNLMKY-UHFFFAOYSA-N -1 3 383.408 3.620 20 0 GHADHM Fc1ccc(OCc2nc(COc3ccccc3-c3nn[n-]n3)cs2)cc1 ZINC000737657607 598762689 /nfs/dbraw/zinc/76/26/89/598762689.db2.gz XVSVLWJETNLMKY-UHFFFAOYSA-N -1 3 383.408 3.620 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737419138 598764673 /nfs/dbraw/zinc/76/46/73/598764673.db2.gz CSNSEYHUJUGZMO-UZLBHIALSA-N -1 3 393.491 3.846 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737419137 598764720 /nfs/dbraw/zinc/76/47/20/598764720.db2.gz CSNSEYHUJUGZMO-OXQOHEQNSA-N -1 3 393.491 3.846 20 0 GHADHM CCOc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000736653627 598769766 /nfs/dbraw/zinc/76/97/66/598769766.db2.gz DHHCZJQMMRBWSA-UHFFFAOYSA-N -1 3 382.374 3.704 20 0 GHADHM CCOc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000736653627 598769768 /nfs/dbraw/zinc/76/97/68/598769768.db2.gz DHHCZJQMMRBWSA-UHFFFAOYSA-N -1 3 382.374 3.704 20 0 GHADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccc2c(c1)OCO2 ZINC000736137309 598770122 /nfs/dbraw/zinc/77/01/22/598770122.db2.gz JQARMCVMXMQBJX-SECBINFHSA-N -1 3 396.357 3.595 20 0 GHADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccc2c(c1)OCO2 ZINC000736137309 598770124 /nfs/dbraw/zinc/77/01/24/598770124.db2.gz JQARMCVMXMQBJX-SECBINFHSA-N -1 3 396.357 3.595 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000736262019 598789497 /nfs/dbraw/zinc/78/94/97/598789497.db2.gz LZNRHSRAWCANAX-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000736262019 598789500 /nfs/dbraw/zinc/78/95/00/598789500.db2.gz LZNRHSRAWCANAX-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)[C@@H]1CCc2ccccc21 ZINC000738171128 598791278 /nfs/dbraw/zinc/79/12/78/598791278.db2.gz BSWOJGWBRMDFRN-LJQANCHMSA-N -1 3 398.426 3.723 20 0 GHADHM CC1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)cn2)CC1 ZINC000736278528 598792966 /nfs/dbraw/zinc/79/29/66/598792966.db2.gz GKJDKELAFMUSLA-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM CC1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nn[n-]n3)cn2)CC1 ZINC000736278528 598792967 /nfs/dbraw/zinc/79/29/67/598792967.db2.gz GKJDKELAFMUSLA-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM Cc1cccc(C)c1OCCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737387656 598798946 /nfs/dbraw/zinc/79/89/46/598798946.db2.gz ADJAEZRGIHMKBD-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1cccc(C)c1OCCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737387656 598798947 /nfs/dbraw/zinc/79/89/47/598798947.db2.gz ADJAEZRGIHMKBD-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111350 598799729 /nfs/dbraw/zinc/79/97/29/598799729.db2.gz DDWVIMBWUVKGLZ-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111350 598799730 /nfs/dbraw/zinc/79/97/30/598799730.db2.gz DDWVIMBWUVKGLZ-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM O=C(OCC1CCOCC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000738219809 598800663 /nfs/dbraw/zinc/80/06/63/598800663.db2.gz CQTYSDYCDPGMNI-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OCC1CCOCC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000738219809 598800665 /nfs/dbraw/zinc/80/06/65/598800665.db2.gz CQTYSDYCDPGMNI-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM Clc1ccc2c(c1)ncnc2N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737575491 598815604 /nfs/dbraw/zinc/81/56/04/598815604.db2.gz WXIVJHCUASFXPK-UHFFFAOYSA-N -1 3 377.839 3.632 20 0 GHADHM Clc1ccc2c(c1)ncnc2N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737575491 598815605 /nfs/dbraw/zinc/81/56/05/598815605.db2.gz WXIVJHCUASFXPK-UHFFFAOYSA-N -1 3 377.839 3.632 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000736165434 598823008 /nfs/dbraw/zinc/82/30/08/598823008.db2.gz UZFWHFGSDNYRMR-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C1 ZINC000820716817 599296668 /nfs/dbraw/zinc/29/66/68/599296668.db2.gz LOWLZZLOZIKCAG-GFCCVEGCSA-N -1 3 382.399 3.672 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C1 ZINC000820716817 599296670 /nfs/dbraw/zinc/29/66/70/599296670.db2.gz LOWLZZLOZIKCAG-GFCCVEGCSA-N -1 3 382.399 3.672 20 0 GHADHM CCN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000821155075 599297491 /nfs/dbraw/zinc/29/74/91/599297491.db2.gz VORFEOVRIOVLCW-UHFFFAOYSA-N -1 3 382.399 3.814 20 0 GHADHM CCN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000821155075 599297493 /nfs/dbraw/zinc/29/74/93/599297493.db2.gz VORFEOVRIOVLCW-UHFFFAOYSA-N -1 3 382.399 3.814 20 0 GHADHM C[C@@H]1SCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@H]1C ZINC000736305573 599301695 /nfs/dbraw/zinc/30/16/95/599301695.db2.gz XSVDVSCNKKXINH-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1SCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736305573 599301698 /nfs/dbraw/zinc/30/16/98/599301698.db2.gz XSVDVSCNKKXINH-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504473 599309594 /nfs/dbraw/zinc/30/95/94/599309594.db2.gz DXTXRYBNBNASLT-UHFFFAOYSA-N -1 3 386.459 3.627 20 0 GHADHM CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504473 599309596 /nfs/dbraw/zinc/30/95/96/599309596.db2.gz DXTXRYBNBNASLT-UHFFFAOYSA-N -1 3 386.459 3.627 20 0 GHADHM CCN(C(=O)COc1cc(C)ccc1C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506174 599310319 /nfs/dbraw/zinc/31/03/19/599310319.db2.gz WXJUPZBERSBGPH-UHFFFAOYSA-N -1 3 379.464 3.730 20 0 GHADHM CCN(C(=O)COc1cc(C)ccc1C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506174 599310321 /nfs/dbraw/zinc/31/03/21/599310321.db2.gz WXJUPZBERSBGPH-UHFFFAOYSA-N -1 3 379.464 3.730 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691749 599318785 /nfs/dbraw/zinc/31/87/85/599318785.db2.gz ZAXBRIFCGZGFOD-RHSMWYFYSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691749 599318789 /nfs/dbraw/zinc/31/87/89/599318789.db2.gz ZAXBRIFCGZGFOD-RHSMWYFYSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H](SCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736104434 599327709 /nfs/dbraw/zinc/32/77/09/599327709.db2.gz HKHXWNWWBOZQMQ-QWHCGFSZSA-N -1 3 385.468 3.677 20 0 GHADHM C[C@@H](SCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736104434 599327712 /nfs/dbraw/zinc/32/77/12/599327712.db2.gz HKHXWNWWBOZQMQ-QWHCGFSZSA-N -1 3 385.468 3.677 20 0 GHADHM C[C@@H](SCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192448 599328261 /nfs/dbraw/zinc/32/82/61/599328261.db2.gz YZMMKHPZYMHVGS-OHTICNEOSA-N -1 3 397.548 3.602 20 0 GHADHM C[C@@H](SCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192448 599328264 /nfs/dbraw/zinc/32/82/64/599328264.db2.gz YZMMKHPZYMHVGS-OHTICNEOSA-N -1 3 397.548 3.602 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190472 599328343 /nfs/dbraw/zinc/32/83/43/599328343.db2.gz SIEXATWLDNOBPE-KGLIPLIRSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190472 599328346 /nfs/dbraw/zinc/32/83/46/599328346.db2.gz SIEXATWLDNOBPE-KGLIPLIRSA-N -1 3 379.489 3.639 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737426041 599334100 /nfs/dbraw/zinc/33/41/00/599334100.db2.gz HYCMUSGBMVUBTF-HZPDHXFCSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1CCNC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737426041 599334103 /nfs/dbraw/zinc/33/41/03/599334103.db2.gz HYCMUSGBMVUBTF-HZPDHXFCSA-N -1 3 395.532 3.717 20 0 GHADHM CCC[C@H]1SCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736435526 599341988 /nfs/dbraw/zinc/34/19/88/599341988.db2.gz MLSJLYPJVIMAMT-GOSISDBHSA-N -1 3 395.488 3.974 20 0 GHADHM CCC[C@H]1SCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736435526 599341991 /nfs/dbraw/zinc/34/19/91/599341991.db2.gz MLSJLYPJVIMAMT-GOSISDBHSA-N -1 3 395.488 3.974 20 0 GHADHM Brc1cc2c(cc1CSc1ccccc1-c1nnn[n-]1)OCO2 ZINC000819688825 599343624 /nfs/dbraw/zinc/34/36/24/599343624.db2.gz NQZMLKASLAROPQ-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM Brc1cc2c(cc1CSc1ccccc1-c1nn[n-]n1)OCO2 ZINC000819688825 599343626 /nfs/dbraw/zinc/34/36/26/599343626.db2.gz NQZMLKASLAROPQ-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM Brc1ccc2nc(CSc3ccccc3-c3nnn[n-]3)cn2c1 ZINC000819688544 599346372 /nfs/dbraw/zinc/34/63/72/599346372.db2.gz JPPGVFNFLGOSIY-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM Brc1ccc2nc(CSc3ccccc3-c3nn[n-]n3)cn2c1 ZINC000819688544 599346374 /nfs/dbraw/zinc/34/63/74/599346374.db2.gz JPPGVFNFLGOSIY-UHFFFAOYSA-N -1 3 387.266 3.569 20 0 GHADHM COC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000736980634 599350350 /nfs/dbraw/zinc/35/03/50/599350350.db2.gz XDSVZNVWOJVANH-ZDUSSCGKSA-N -1 3 398.776 3.734 20 0 GHADHM COC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000736980634 599350351 /nfs/dbraw/zinc/35/03/51/599350351.db2.gz XDSVZNVWOJVANH-ZDUSSCGKSA-N -1 3 398.776 3.734 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(Cl)cn1 ZINC000738171623 599373187 /nfs/dbraw/zinc/37/31/87/599373187.db2.gz HSVLCFOBGYAYNA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H](C)c1cccc(C)c1 ZINC000737034366 599376579 /nfs/dbraw/zinc/37/65/79/599376579.db2.gz ZKGLUDNKIIIKEA-OAHLLOKOSA-N -1 3 396.447 3.647 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H](C)c1cccc(C)c1 ZINC000737034366 599376581 /nfs/dbraw/zinc/37/65/81/599376581.db2.gz ZKGLUDNKIIIKEA-OAHLLOKOSA-N -1 3 396.447 3.647 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000821518461 599376636 /nfs/dbraw/zinc/37/66/36/599376636.db2.gz VFQQXCFZXGJDTA-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000821518461 599376640 /nfs/dbraw/zinc/37/66/40/599376640.db2.gz VFQQXCFZXGJDTA-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455065 599377695 /nfs/dbraw/zinc/37/76/95/599377695.db2.gz BXDQFHNZBSEMOL-GKCIPKSASA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455065 599377697 /nfs/dbraw/zinc/37/76/97/599377697.db2.gz BXDQFHNZBSEMOL-GKCIPKSASA-N -1 3 379.464 3.722 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199898 599388575 /nfs/dbraw/zinc/38/85/75/599388575.db2.gz XXGNQZRTJFWTOC-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM FC(F)(F)COc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822718912 599389589 /nfs/dbraw/zinc/38/95/89/599389589.db2.gz UVDVDRAGWBWWGO-UHFFFAOYSA-N -1 3 394.353 3.656 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1cc(-c2nnn[n-]2)c2ccccc2n1)CC3 ZINC000737372266 599405111 /nfs/dbraw/zinc/40/51/11/599405111.db2.gz CHARKILSOHAJGE-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1cc(-c2nn[n-]n2)c2ccccc2n1)CC3 ZINC000737372266 599405113 /nfs/dbraw/zinc/40/51/13/599405113.db2.gz CHARKILSOHAJGE-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM COc1cc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OCCC(C)C ZINC000821707737 599406315 /nfs/dbraw/zinc/40/63/15/599406315.db2.gz DTTWJICTBYRKMT-CQSZACIVSA-N -1 3 385.468 3.744 20 0 GHADHM CCCCCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821060637 599406738 /nfs/dbraw/zinc/40/67/38/599406738.db2.gz GEAXGZOEOGRCEB-AWEZNQCLSA-N -1 3 385.468 3.888 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178720 599408513 /nfs/dbraw/zinc/40/85/13/599408513.db2.gz ZDHKTNDIAWXUNN-CABCVRRESA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178720 599408516 /nfs/dbraw/zinc/40/85/16/599408516.db2.gz ZDHKTNDIAWXUNN-CABCVRRESA-N -1 3 394.479 3.775 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820667063 599411331 /nfs/dbraw/zinc/41/13/31/599411331.db2.gz KVEOUGBQYWSGGU-OCBCSQNSSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820667063 599411333 /nfs/dbraw/zinc/41/13/33/599411333.db2.gz KVEOUGBQYWSGGU-OCBCSQNSSA-N -1 3 396.882 3.717 20 0 GHADHM CCCn1ccc2ccc(NC(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821149552 599412860 /nfs/dbraw/zinc/41/28/60/599412860.db2.gz ZXDITAOVZLQQAH-CQSZACIVSA-N -1 3 390.447 3.637 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000737570487 599412982 /nfs/dbraw/zinc/41/29/82/599412982.db2.gz IEPGDJZAHRSDBN-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000737570487 599412983 /nfs/dbraw/zinc/41/29/83/599412983.db2.gz IEPGDJZAHRSDBN-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735987916 599419859 /nfs/dbraw/zinc/41/98/59/599419859.db2.gz YJJRTMWDDZCCJL-ZDUSSCGKSA-N -1 3 388.431 3.577 20 0 GHADHM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735987916 599419860 /nfs/dbraw/zinc/41/98/60/599419860.db2.gz YJJRTMWDDZCCJL-ZDUSSCGKSA-N -1 3 388.431 3.577 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356610 599422264 /nfs/dbraw/zinc/42/22/64/599422264.db2.gz AKINUZWTJONSOO-GTNSWQLSSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356610 599422268 /nfs/dbraw/zinc/42/22/68/599422268.db2.gz AKINUZWTJONSOO-GTNSWQLSSA-N -1 3 382.855 3.568 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1ncnc2sc3c(c21)CCC3 ZINC000821752968 607376566 /nfs/dbraw/zinc/37/65/66/607376566.db2.gz XFOJJPRMYRUEBA-UHFFFAOYSA-N -1 3 396.501 3.661 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncnc2sc3c(c21)CCC3 ZINC000821752968 607376568 /nfs/dbraw/zinc/37/65/68/607376568.db2.gz XFOJJPRMYRUEBA-UHFFFAOYSA-N -1 3 396.501 3.661 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738385204 599442097 /nfs/dbraw/zinc/44/20/97/599442097.db2.gz XANJQAJHHSGGDA-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738385204 599442101 /nfs/dbraw/zinc/44/21/01/599442101.db2.gz XANJQAJHHSGGDA-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1CC1CCCCC1 ZINC000823233407 599462448 /nfs/dbraw/zinc/46/24/48/599462448.db2.gz GTTAXWHYAULEFN-QGZVFWFLSA-N -1 3 386.475 3.650 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1CC1CCCCC1 ZINC000823233407 599462449 /nfs/dbraw/zinc/46/24/49/599462449.db2.gz GTTAXWHYAULEFN-QGZVFWFLSA-N -1 3 386.475 3.650 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823235564 599465222 /nfs/dbraw/zinc/46/52/22/599465222.db2.gz XCORNOHXDLWOQE-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823235564 599465225 /nfs/dbraw/zinc/46/52/25/599465225.db2.gz XCORNOHXDLWOQE-IBGZPJMESA-N -1 3 394.454 3.737 20 0 GHADHM COc1ccc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)cc1OC(F)F ZINC000821794244 599471394 /nfs/dbraw/zinc/47/13/94/599471394.db2.gz CPNLBAJBOFTOKF-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1ccc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)cc1OC(F)F ZINC000821794244 599471397 /nfs/dbraw/zinc/47/13/97/599471397.db2.gz CPNLBAJBOFTOKF-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342065 599473066 /nfs/dbraw/zinc/47/30/66/599473066.db2.gz SSIQKIOQISDXCB-QWQRMKEZSA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342065 599473067 /nfs/dbraw/zinc/47/30/67/599473067.db2.gz SSIQKIOQISDXCB-QWQRMKEZSA-N -1 3 394.454 3.654 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820339590 599475823 /nfs/dbraw/zinc/47/58/23/599475823.db2.gz DMKUIMOAQGIHNV-CHWSQXEVSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820339590 599475825 /nfs/dbraw/zinc/47/58/25/599475825.db2.gz DMKUIMOAQGIHNV-CHWSQXEVSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342447 599477462 /nfs/dbraw/zinc/47/74/62/599477462.db2.gz UVLMKBSEOSFTEU-DYVFJYSZSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342447 599477466 /nfs/dbraw/zinc/47/74/66/599477466.db2.gz UVLMKBSEOSFTEU-DYVFJYSZSA-N -1 3 396.882 3.780 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000735671840 599491560 /nfs/dbraw/zinc/49/15/60/599491560.db2.gz NKZMWGZFYOBJOZ-UHFFFAOYSA-N -1 3 385.447 3.619 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000735671840 599491562 /nfs/dbraw/zinc/49/15/62/599491562.db2.gz NKZMWGZFYOBJOZ-UHFFFAOYSA-N -1 3 385.447 3.619 20 0 GHADHM CCOc1ccc(C2(CNc3ccc(F)cc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000821417043 599492793 /nfs/dbraw/zinc/49/27/93/599492793.db2.gz HKVFAKBDOUVEFY-UHFFFAOYSA-N -1 3 397.454 3.565 20 0 GHADHM CCOc1ccc(C2(CNc3ccc(F)cc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000821417043 599492795 /nfs/dbraw/zinc/49/27/95/599492795.db2.gz HKVFAKBDOUVEFY-UHFFFAOYSA-N -1 3 397.454 3.565 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCS1 ZINC000822206213 599495365 /nfs/dbraw/zinc/49/53/65/599495365.db2.gz YEKAKJJAMGSHLN-GOSISDBHSA-N -1 3 397.479 3.743 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCS1 ZINC000822206213 599495369 /nfs/dbraw/zinc/49/53/69/599495369.db2.gz YEKAKJJAMGSHLN-GOSISDBHSA-N -1 3 397.479 3.743 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737177040 599502036 /nfs/dbraw/zinc/50/20/36/599502036.db2.gz QMRYZMKTTLVULN-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737177040 599502038 /nfs/dbraw/zinc/50/20/38/599502038.db2.gz QMRYZMKTTLVULN-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397551 599509876 /nfs/dbraw/zinc/50/98/76/599509876.db2.gz QHUXBKBLIOZRGY-HNNXBMFYSA-N -1 3 397.438 3.589 20 0 GHADHM C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397551 599509879 /nfs/dbraw/zinc/50/98/79/599509879.db2.gz QHUXBKBLIOZRGY-HNNXBMFYSA-N -1 3 397.438 3.589 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314007 599518666 /nfs/dbraw/zinc/51/86/66/599518666.db2.gz GTCSQSJEFKUFRG-FOIQADDNSA-N -1 3 391.475 3.744 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314007 599518668 /nfs/dbraw/zinc/51/86/68/599518668.db2.gz GTCSQSJEFKUFRG-FOIQADDNSA-N -1 3 391.475 3.744 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821970395 599529705 /nfs/dbraw/zinc/52/97/05/599529705.db2.gz NGOYQUDMWUKUAJ-GFCCVEGCSA-N -1 3 393.472 3.967 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821970395 599529707 /nfs/dbraw/zinc/52/97/07/599529707.db2.gz NGOYQUDMWUKUAJ-GFCCVEGCSA-N -1 3 393.472 3.967 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737335714 599537035 /nfs/dbraw/zinc/53/70/35/599537035.db2.gz VKZRWOCORGSDPW-SECBINFHSA-N -1 3 392.941 3.808 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737335714 599537038 /nfs/dbraw/zinc/53/70/38/599537038.db2.gz VKZRWOCORGSDPW-SECBINFHSA-N -1 3 392.941 3.808 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738408668 599538285 /nfs/dbraw/zinc/53/82/85/599538285.db2.gz NMJTZUQGGMGHGO-WBVHZDCISA-N -1 3 378.505 3.565 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000738408668 599538287 /nfs/dbraw/zinc/53/82/87/599538287.db2.gz NMJTZUQGGMGHGO-WBVHZDCISA-N -1 3 378.505 3.565 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000119184995 599538371 /nfs/dbraw/zinc/53/83/71/599538371.db2.gz TZHMZIZOQARRPL-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000119184995 599538374 /nfs/dbraw/zinc/53/83/74/599538374.db2.gz TZHMZIZOQARRPL-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822418623 599540765 /nfs/dbraw/zinc/54/07/65/599540765.db2.gz AJHMIASRAUFSFZ-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822418623 599540767 /nfs/dbraw/zinc/54/07/67/599540767.db2.gz AJHMIASRAUFSFZ-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820684556 599548127 /nfs/dbraw/zinc/54/81/27/599548127.db2.gz RFECPNFCOTYFCG-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820684556 599548130 /nfs/dbraw/zinc/54/81/30/599548130.db2.gz RFECPNFCOTYFCG-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000819975875 599554080 /nfs/dbraw/zinc/55/40/80/599554080.db2.gz DTALKSVEHXIEOZ-UHFFFAOYSA-N -1 3 385.516 3.857 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000819975875 599554081 /nfs/dbraw/zinc/55/40/81/599554081.db2.gz DTALKSVEHXIEOZ-UHFFFAOYSA-N -1 3 385.516 3.857 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000737328887 599560128 /nfs/dbraw/zinc/56/01/28/599560128.db2.gz IIRAVUUUNGGQPU-YLZCUGDYSA-N -1 3 377.448 3.925 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000737328887 599560130 /nfs/dbraw/zinc/56/01/30/599560130.db2.gz IIRAVUUUNGGQPU-YLZCUGDYSA-N -1 3 377.448 3.925 20 0 GHADHM O=C(NCc1ccc(F)cc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738104371 599563721 /nfs/dbraw/zinc/56/37/21/599563721.db2.gz WWOYXRBEBBEDSD-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736555357 599567170 /nfs/dbraw/zinc/56/71/70/599567170.db2.gz HOLPBVMBYUHRST-UHFFFAOYSA-N -1 3 388.431 3.866 20 0 GHADHM C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736205698 599567587 /nfs/dbraw/zinc/56/75/87/599567587.db2.gz XVBUYIWOHWPTLK-HNNXBMFYSA-N -1 3 399.458 3.839 20 0 GHADHM Cc1ccsc1CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737441462 599568101 /nfs/dbraw/zinc/56/81/01/599568101.db2.gz GFBJRQKBWXWWAV-UHFFFAOYSA-N -1 3 390.472 3.910 20 0 GHADHM O=C(Nc1cc(Cl)ccn1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738145534 599568381 /nfs/dbraw/zinc/56/83/81/599568381.db2.gz SPDZDLLBRKSYOZ-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738277355 599575320 /nfs/dbraw/zinc/57/53/20/599575320.db2.gz CAKXCAXNPRNKDL-SUMWQHHRSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000738277355 599575322 /nfs/dbraw/zinc/57/53/22/599575322.db2.gz CAKXCAXNPRNKDL-SUMWQHHRSA-N -1 3 395.850 3.937 20 0 GHADHM FC(F)(F)c1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000822728688 607384473 /nfs/dbraw/zinc/38/44/73/607384473.db2.gz JFOJYUBHDCDUIA-NSHDSACASA-N -1 3 380.399 3.726 20 0 GHADHM CC(C)CN(Cc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735830431 599580224 /nfs/dbraw/zinc/58/02/24/599580224.db2.gz FCCGSBBKFHTSTG-UHFFFAOYSA-N -1 3 387.285 3.687 20 0 GHADHM C[C@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136135 599598415 /nfs/dbraw/zinc/59/84/15/599598415.db2.gz COHGOCCFGVQLFP-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136135 599598417 /nfs/dbraw/zinc/59/84/17/599598417.db2.gz COHGOCCFGVQLFP-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC(c1cccs1)c1cccs1 ZINC000738177681 599600506 /nfs/dbraw/zinc/60/05/06/599600506.db2.gz CNXMNCVHIANHNB-UHFFFAOYSA-N -1 3 382.474 3.901 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC(c1cccs1)c1cccs1 ZINC000738177681 599600508 /nfs/dbraw/zinc/60/05/08/599600508.db2.gz CNXMNCVHIANHNB-UHFFFAOYSA-N -1 3 382.474 3.901 20 0 GHADHM Cc1nc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)oc1C ZINC000737476875 599607940 /nfs/dbraw/zinc/60/79/40/599607940.db2.gz HOGDGHIAELGYBW-UHFFFAOYSA-N -1 3 390.403 3.572 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737056966 599610407 /nfs/dbraw/zinc/61/04/07/599610407.db2.gz FGTWMQINTNUQEU-GOEBONIOSA-N -1 3 392.463 3.594 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737056966 599610409 /nfs/dbraw/zinc/61/04/09/599610409.db2.gz FGTWMQINTNUQEU-GOEBONIOSA-N -1 3 392.463 3.594 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CCc1ccccc1F ZINC000821389962 599620840 /nfs/dbraw/zinc/62/08/40/599620840.db2.gz RTNWNDAAZWJMBH-CYBMUJFWSA-N -1 3 384.411 3.579 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CCc1ccccc1F ZINC000821389962 599620841 /nfs/dbraw/zinc/62/08/41/599620841.db2.gz RTNWNDAAZWJMBH-CYBMUJFWSA-N -1 3 384.411 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(F)(F)F ZINC000820513246 599627939 /nfs/dbraw/zinc/62/79/39/599627939.db2.gz YGPRZMKTJUDOKA-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(F)(F)F ZINC000820513246 599627940 /nfs/dbraw/zinc/62/79/40/599627940.db2.gz YGPRZMKTJUDOKA-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM Cc1sc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nn[n-]n2)c1C ZINC000822558944 599629147 /nfs/dbraw/zinc/62/91/47/599629147.db2.gz TZBQQHDECVFTJA-VOTSOKGWSA-N -1 3 388.522 3.951 20 0 GHADHM Cc1sc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nnn[n-]2)c1C ZINC000822558944 599629146 /nfs/dbraw/zinc/62/91/46/599629146.db2.gz TZBQQHDECVFTJA-VOTSOKGWSA-N -1 3 388.522 3.951 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820937975 599629302 /nfs/dbraw/zinc/62/93/02/599629302.db2.gz GAAZHEAQFZVMER-GHJWDPDVSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820937975 599629303 /nfs/dbraw/zinc/62/93/03/599629303.db2.gz GAAZHEAQFZVMER-GHJWDPDVSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820938893 599629438 /nfs/dbraw/zinc/62/94/38/599629438.db2.gz OFRNJZQFFNBJDX-DBVUQKKJSA-N -1 3 399.539 3.978 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820938893 599629439 /nfs/dbraw/zinc/62/94/39/599629439.db2.gz OFRNJZQFFNBJDX-DBVUQKKJSA-N -1 3 399.539 3.978 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc2ccccc21 ZINC000822596880 599632358 /nfs/dbraw/zinc/63/23/58/599632358.db2.gz XQSAYABLLDLYBI-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc2ccccc21 ZINC000822596880 599632359 /nfs/dbraw/zinc/63/23/59/599632359.db2.gz XQSAYABLLDLYBI-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM CC(C)c1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000820202324 599633424 /nfs/dbraw/zinc/63/34/24/599633424.db2.gz GVHTYTUZSATZSL-UHFFFAOYSA-N -1 3 382.371 3.718 20 0 GHADHM CC(C)c1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000820202324 599633425 /nfs/dbraw/zinc/63/34/25/599633425.db2.gz GVHTYTUZSATZSL-UHFFFAOYSA-N -1 3 382.371 3.718 20 0 GHADHM CC[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000820925746 599635577 /nfs/dbraw/zinc/63/55/77/599635577.db2.gz LIAJHPLGFFRCTC-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000820925746 599635578 /nfs/dbraw/zinc/63/55/78/599635578.db2.gz LIAJHPLGFFRCTC-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM CC(C)CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000820092044 599636460 /nfs/dbraw/zinc/63/64/60/599636460.db2.gz FSJXIHMMMNKJOP-UHFFFAOYSA-N -1 3 375.436 3.579 20 0 GHADHM CC(C)CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000820092044 599636461 /nfs/dbraw/zinc/63/64/61/599636461.db2.gz FSJXIHMMMNKJOP-UHFFFAOYSA-N -1 3 375.436 3.579 20 0 GHADHM CCOCCCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821378943 599648757 /nfs/dbraw/zinc/64/87/57/599648757.db2.gz XTNGGKZOEXZSOY-UHFFFAOYSA-N -1 3 384.461 3.601 20 0 GHADHM CCOCCCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821378943 599648758 /nfs/dbraw/zinc/64/87/58/599648758.db2.gz XTNGGKZOEXZSOY-UHFFFAOYSA-N -1 3 384.461 3.601 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081728 599649154 /nfs/dbraw/zinc/64/91/54/599649154.db2.gz SLOWZRQPYVEVFV-QGZVFWFLSA-N -1 3 393.491 3.961 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081728 599649155 /nfs/dbraw/zinc/64/91/55/599649155.db2.gz SLOWZRQPYVEVFV-QGZVFWFLSA-N -1 3 393.491 3.961 20 0 GHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000820488927 599651748 /nfs/dbraw/zinc/65/17/48/599651748.db2.gz WZPVFYHCEIWCFN-RDRICISKSA-N -1 3 390.443 3.818 20 0 GHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000820488927 599651749 /nfs/dbraw/zinc/65/17/49/599651749.db2.gz WZPVFYHCEIWCFN-RDRICISKSA-N -1 3 390.443 3.818 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820967692 599655977 /nfs/dbraw/zinc/65/59/77/599655977.db2.gz TUUIUZAELRNQMP-KXBFYZLASA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820967692 599655978 /nfs/dbraw/zinc/65/59/78/599655978.db2.gz TUUIUZAELRNQMP-KXBFYZLASA-N -1 3 391.475 3.706 20 0 GHADHM CCCCC[C@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821048926 599668272 /nfs/dbraw/zinc/66/82/72/599668272.db2.gz GKQOASSAULYXMS-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@H](C)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821048926 599668273 /nfs/dbraw/zinc/66/82/73/599668273.db2.gz GKQOASSAULYXMS-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)CCOc2ccccc2)c1-c1nnn[n-]1 ZINC000821465802 599689789 /nfs/dbraw/zinc/68/97/89/599689789.db2.gz PZSCBKUAIXOTTM-GFCCVEGCSA-N -1 3 385.493 3.843 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)CCOc2ccccc2)c1-c1nn[n-]n1 ZINC000821465802 599689790 /nfs/dbraw/zinc/68/97/90/599689790.db2.gz PZSCBKUAIXOTTM-GFCCVEGCSA-N -1 3 385.493 3.843 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096690 599691398 /nfs/dbraw/zinc/69/13/98/599691398.db2.gz FOEBIMIRZTZGSW-OLZOCXBDSA-N -1 3 388.497 3.978 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096690 599691399 /nfs/dbraw/zinc/69/13/99/599691399.db2.gz FOEBIMIRZTZGSW-OLZOCXBDSA-N -1 3 388.497 3.978 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823368315 599692484 /nfs/dbraw/zinc/69/24/84/599692484.db2.gz UIXKNILSABTUKJ-PMOLBWCYSA-N -1 3 389.459 3.820 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823368315 599692485 /nfs/dbraw/zinc/69/24/85/599692485.db2.gz UIXKNILSABTUKJ-PMOLBWCYSA-N -1 3 389.459 3.820 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000739755956 599771871 /nfs/dbraw/zinc/77/18/71/599771871.db2.gz GJSXXYJQRLGGHX-SFHVURJKSA-N -1 3 384.451 3.694 20 0 GHADHM CSc1ccsc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821989229 607398116 /nfs/dbraw/zinc/39/81/16/607398116.db2.gz ITJICDCPWQEXMO-UHFFFAOYSA-N -1 3 375.479 3.690 20 0 GHADHM CSc1ccsc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821989229 607398117 /nfs/dbraw/zinc/39/81/17/607398117.db2.gz ITJICDCPWQEXMO-UHFFFAOYSA-N -1 3 375.479 3.690 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cn1 ZINC000820187628 607391787 /nfs/dbraw/zinc/39/17/87/607391787.db2.gz KAAYKXAORSAJGR-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000820187628 607391789 /nfs/dbraw/zinc/39/17/89/607391789.db2.gz KAAYKXAORSAJGR-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000736273097 599850390 /nfs/dbraw/zinc/85/03/90/599850390.db2.gz KFCIRWRBDALRDQ-WMLDXEAASA-N -1 3 378.469 3.589 20 0 GHADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)C2 ZINC000821134253 607422724 /nfs/dbraw/zinc/42/27/24/607422724.db2.gz QGFDJOAVYHGPKC-UHFFFAOYSA-N -1 3 392.463 3.554 20 0 GHADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)C2 ZINC000821134253 607422725 /nfs/dbraw/zinc/42/27/25/607422725.db2.gz QGFDJOAVYHGPKC-UHFFFAOYSA-N -1 3 392.463 3.554 20 0 GHADHM COc1cccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821859262 607426659 /nfs/dbraw/zinc/42/66/59/607426659.db2.gz NEOPJBTWJGVOSH-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM COc1cccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821859262 607426661 /nfs/dbraw/zinc/42/66/61/607426661.db2.gz NEOPJBTWJGVOSH-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821455808 607428538 /nfs/dbraw/zinc/42/85/38/607428538.db2.gz LVIWBOMUTKEOAJ-CYBMUJFWSA-N -1 3 392.529 3.649 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821455808 607428539 /nfs/dbraw/zinc/42/85/39/607428539.db2.gz LVIWBOMUTKEOAJ-CYBMUJFWSA-N -1 3 392.529 3.649 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000820164085 607431893 /nfs/dbraw/zinc/43/18/93/607431893.db2.gz CJSQLQHEWIPTFK-QGZVFWFLSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000820164085 607431894 /nfs/dbraw/zinc/43/18/94/607431894.db2.gz CJSQLQHEWIPTFK-QGZVFWFLSA-N -1 3 396.426 3.602 20 0 GHADHM C[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)N1CCC(Cc2ccccc2)CC1 ZINC000736212149 600251791 /nfs/dbraw/zinc/25/17/91/600251791.db2.gz QIUBIXDGVASBIH-QGZVFWFLSA-N -1 3 392.499 3.570 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820164198 607432322 /nfs/dbraw/zinc/43/23/22/607432322.db2.gz GYNWITMIJDJYDR-LBPRGKRZSA-N -1 3 398.492 3.867 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820164198 607432324 /nfs/dbraw/zinc/43/23/24/607432324.db2.gz GYNWITMIJDJYDR-LBPRGKRZSA-N -1 3 398.492 3.867 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738518855 600262833 /nfs/dbraw/zinc/26/28/33/600262833.db2.gz PDEJNNDHKCZKEN-WBVHZDCISA-N -1 3 384.451 3.724 20 0 GHADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H](C)N1CCCCCC1 ZINC000736199558 600407954 /nfs/dbraw/zinc/40/79/54/600407954.db2.gz JSWLRRBHHNVXDN-SJORKVTESA-N -1 3 399.491 3.727 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000739218052 600409602 /nfs/dbraw/zinc/40/96/02/600409602.db2.gz FVHQFSHYKDGPDA-LJQANCHMSA-N -1 3 378.900 3.627 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cccc(Cl)c1 ZINC000739469261 600432740 /nfs/dbraw/zinc/43/27/40/600432740.db2.gz ZWDNINWVMMYXDE-LJQANCHMSA-N -1 3 395.846 3.903 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccccc1 ZINC000740289180 600433936 /nfs/dbraw/zinc/43/39/36/600433936.db2.gz DAMOICSCHZLEHD-OAQYLSRUSA-N -1 3 375.424 3.959 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000824498470 607446079 /nfs/dbraw/zinc/44/60/79/607446079.db2.gz HTDCYPFIGTYUBO-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000824498470 607446080 /nfs/dbraw/zinc/44/60/80/607446080.db2.gz HTDCYPFIGTYUBO-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000824498471 607446095 /nfs/dbraw/zinc/44/60/95/607446095.db2.gz HTDCYPFIGTYUBO-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000824498471 607446096 /nfs/dbraw/zinc/44/60/96/607446096.db2.gz HTDCYPFIGTYUBO-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM CCSc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737229853 600523146 /nfs/dbraw/zinc/52/31/46/600523146.db2.gz RGVHRYAVGZBQML-LSDHHAIUSA-N -1 3 386.517 3.852 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc3c(c1)CCC3)CC2 ZINC000737906237 600626652 /nfs/dbraw/zinc/62/66/52/600626652.db2.gz YOIVWCBQTDLIKV-HXUWFJFHSA-N -1 3 381.472 3.767 20 0 GHADHM Fc1cc2nc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3F)[nH]c2cc1F ZINC000822753971 607458320 /nfs/dbraw/zinc/45/83/20/607458320.db2.gz URIJJETZNPCHAZ-OQFOIZHKSA-N -1 3 376.729 3.897 20 0 GHADHM Fc1cc2nc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3F)[nH]c2cc1F ZINC000822753971 607458321 /nfs/dbraw/zinc/45/83/21/607458321.db2.gz URIJJETZNPCHAZ-OQFOIZHKSA-N -1 3 376.729 3.897 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCOC1CCCCCC1)CC2 ZINC000582186483 600710695 /nfs/dbraw/zinc/71/06/95/600710695.db2.gz CRFNOLHXWKJNJO-LJQANCHMSA-N -1 3 391.508 3.817 20 0 GHADHM COc1cccc2c1OC[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C2 ZINC000832576988 600746760 /nfs/dbraw/zinc/74/67/60/600746760.db2.gz ARMBMHUHIRBPAI-WBMJQRKESA-N -1 3 382.243 3.721 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1N[C@H](C(=O)[O-])c1ccccc1F)O[C@H](C)C2 ZINC000830049957 600747644 /nfs/dbraw/zinc/74/76/44/600747644.db2.gz TVKIAOBZJMFBBM-TXBZAKSHSA-N -1 3 385.435 3.819 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(OCc2cccnc2)c1 ZINC000822743993 607475494 /nfs/dbraw/zinc/47/54/94/607475494.db2.gz JNDSOFBKJLHAGM-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(OCc2cccnc2)c1 ZINC000822743993 607475496 /nfs/dbraw/zinc/47/54/96/607475496.db2.gz JNDSOFBKJLHAGM-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM COc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c1OC1CCCC1 ZINC000821868449 607480490 /nfs/dbraw/zinc/48/04/90/607480490.db2.gz QYFYMFKUGGCLDV-UHFFFAOYSA-N -1 3 397.454 3.626 20 0 GHADHM COc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c1OC1CCCC1 ZINC000821868449 607480492 /nfs/dbraw/zinc/48/04/92/607480492.db2.gz QYFYMFKUGGCLDV-UHFFFAOYSA-N -1 3 397.454 3.626 20 0 GHADHM COc1ccc(CN(Cc2ccco2)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826194059 607482520 /nfs/dbraw/zinc/48/25/20/607482520.db2.gz YYIHDRHGHDVZEB-UHFFFAOYSA-N -1 3 375.432 3.671 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828278074 601026220 /nfs/dbraw/zinc/02/62/20/601026220.db2.gz OKYJSNSUXDXFDY-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000828277751 601045094 /nfs/dbraw/zinc/04/50/94/601045094.db2.gz MSNSYBCCOUDNFE-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM COc1ccc(C[C@@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)cc1 ZINC000737986487 601091122 /nfs/dbraw/zinc/09/11/22/601091122.db2.gz BJMIXCFCKHXWLH-KRWDZBQOSA-N -1 3 379.460 3.655 20 0 GHADHM C[C@@H](CN[C@H](C(=O)[O-])c1ccccc1F)Oc1ccccc1Br ZINC000827501831 601150768 /nfs/dbraw/zinc/15/07/68/601150768.db2.gz DUDPEUPWBQOMGQ-ZBEGNZNMSA-N -1 3 382.229 3.771 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000826054458 601203752 /nfs/dbraw/zinc/20/37/52/601203752.db2.gz NDTXFEBJYJOTMQ-SJKOYZFVSA-N -1 3 396.365 3.575 20 0 GHADHM CC1(OCC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000820628611 607499046 /nfs/dbraw/zinc/49/90/46/607499046.db2.gz JHICMPCGTSBMGP-UHFFFAOYSA-N -1 3 380.404 3.524 20 0 GHADHM CC1(OCC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000820628611 607499048 /nfs/dbraw/zinc/49/90/48/607499048.db2.gz JHICMPCGTSBMGP-UHFFFAOYSA-N -1 3 380.404 3.524 20 0 GHADHM Cc1ccc([C@H](NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832923798 601652913 /nfs/dbraw/zinc/65/29/13/601652913.db2.gz DXRBXJBKOVKWFH-SSKFGXFMSA-N -1 3 380.488 3.614 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccccc1 ZINC000828277101 601654343 /nfs/dbraw/zinc/65/43/43/601654343.db2.gz IFKIILLRXJECJM-ZOCZFRKYSA-N -1 3 398.528 3.956 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000826054505 601654465 /nfs/dbraw/zinc/65/44/65/601654465.db2.gz NMSZAFYSHCDKOB-JTSKRJEESA-N -1 3 395.503 3.667 20 0 GHADHM c1[nH]nc2ccc(NCc3cccc(OCc4cccc(-c5nnn[n-]5)c4)c3)cc12 ZINC000826516266 607524008 /nfs/dbraw/zinc/52/40/08/607524008.db2.gz DIJLEQPOWALVFS-UHFFFAOYSA-N -1 3 397.442 3.934 20 0 GHADHM c1[nH]nc2ccc(NCc3cccc(OCc4cccc(-c5nn[n-]n5)c4)c3)cc12 ZINC000826516266 607524011 /nfs/dbraw/zinc/52/40/11/607524011.db2.gz DIJLEQPOWALVFS-UHFFFAOYSA-N -1 3 397.442 3.934 20 0 GHADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000830608750 601793595 /nfs/dbraw/zinc/79/35/95/601793595.db2.gz HEZZYYUEQISTJC-UHFFFAOYSA-N -1 3 393.509 3.933 20 0 GHADHM COc1cc(-c2noc(CSCc3ccccc3-c3nnn[n-]3)n2)ccc1C ZINC000826176679 607530616 /nfs/dbraw/zinc/53/06/16/607530616.db2.gz YZZSEUGSFUJVGD-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1cc(-c2noc(CSCc3ccccc3-c3nn[n-]n3)n2)ccc1C ZINC000826176679 607530617 /nfs/dbraw/zinc/53/06/17/607530617.db2.gz YZZSEUGSFUJVGD-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM O=C([O-])CC1(NCc2csc(CC(=O)Nc3ccccc3)n2)CCCCC1 ZINC000833206055 601880670 /nfs/dbraw/zinc/88/06/70/601880670.db2.gz WOEMGSBQTUYDFI-UHFFFAOYSA-N -1 3 387.505 3.592 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828176762 601930623 /nfs/dbraw/zinc/93/06/23/601930623.db2.gz JXHBBQJWGQBNKY-MAUKXSAKSA-N -1 3 382.464 3.585 20 0 GHADHM COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826199008 607556177 /nfs/dbraw/zinc/55/61/77/607556177.db2.gz OKWBVGUOBYXHMQ-AWEZNQCLSA-N -1 3 394.479 3.559 20 0 GHADHM COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826199008 607556178 /nfs/dbraw/zinc/55/61/78/607556178.db2.gz OKWBVGUOBYXHMQ-AWEZNQCLSA-N -1 3 394.479 3.559 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739055790 602276663 /nfs/dbraw/zinc/27/66/63/602276663.db2.gz CGLKMISFOGMPNA-DNVCBOLYSA-N -1 3 394.475 3.684 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824651268 607562515 /nfs/dbraw/zinc/56/25/15/607562515.db2.gz YIVIPWVEROZTQK-FOIQADDNSA-N -1 3 379.464 3.604 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)N2CCCC2)cc1 ZINC000832921911 602389865 /nfs/dbraw/zinc/38/98/65/602389865.db2.gz BQFLFBUZADEZEU-LJQANCHMSA-N -1 3 385.439 3.791 20 0 GHADHM C[C@H](CCNCc1csc(-c2cccc(Br)c2)n1)NC(=O)[O-] ZINC000738908567 602875512 /nfs/dbraw/zinc/87/55/12/602875512.db2.gz XKSHTAHLXPBCSY-SNVBAGLBSA-N -1 3 384.299 3.708 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)N(C)C)cc1 ZINC000739544945 603035821 /nfs/dbraw/zinc/03/58/21/603035821.db2.gz YJBDHQDEECDFTM-SFHVURJKSA-N -1 3 388.443 3.902 20 0 GHADHM Cc1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1NC(=O)[O-] ZINC000830185972 603229987 /nfs/dbraw/zinc/22/99/87/603229987.db2.gz DLDFFWUUDBPVBX-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000825943434 603230352 /nfs/dbraw/zinc/23/03/52/603230352.db2.gz DARNPARDKWGFKD-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM CCCCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000825296404 607633760 /nfs/dbraw/zinc/63/37/60/607633760.db2.gz HQOWIIQCZJYIFE-UHFFFAOYSA-N -1 3 387.447 3.852 20 0 GHADHM CCCCc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000825296404 607633762 /nfs/dbraw/zinc/63/37/62/607633762.db2.gz HQOWIIQCZJYIFE-UHFFFAOYSA-N -1 3 387.447 3.852 20 0 GHADHM c1sc(N[C@@H]2CCOc3ccccc32)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512455 607646911 /nfs/dbraw/zinc/64/69/11/607646911.db2.gz AWAYGQQMXHLSJU-OAHLLOKOSA-N -1 3 376.445 3.926 20 0 GHADHM c1sc(N[C@@H]2CCOc3ccccc32)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512455 607646913 /nfs/dbraw/zinc/64/69/13/607646913.db2.gz AWAYGQQMXHLSJU-OAHLLOKOSA-N -1 3 376.445 3.926 20 0 GHADHM CC(C)CN(CCN(C)C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000824251722 604097605 /nfs/dbraw/zinc/09/76/05/604097605.db2.gz MTSCUGPTUDHZJC-UHFFFAOYSA-N -1 3 390.406 3.847 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(OCC(F)(F)F)c1 ZINC000826291111 607671649 /nfs/dbraw/zinc/67/16/49/607671649.db2.gz PTZAAYXGHDRNMQ-UHFFFAOYSA-N -1 3 391.353 3.677 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(OCC(F)(F)F)c1 ZINC000826291111 607671650 /nfs/dbraw/zinc/67/16/50/607671650.db2.gz PTZAAYXGHDRNMQ-UHFFFAOYSA-N -1 3 391.353 3.677 20 0 GHADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000832846188 604266978 /nfs/dbraw/zinc/26/69/78/604266978.db2.gz CPDWEVCHYQNZFB-HNNXBMFYSA-N -1 3 389.521 3.594 20 0 GHADHM CC(C)Oc1ccc(NCc2nc(C(F)(F)F)cs2)cc1-c1nnn[n-]1 ZINC000824328864 607685248 /nfs/dbraw/zinc/68/52/48/607685248.db2.gz CHEORLOBGJTVSR-UHFFFAOYSA-N -1 3 384.387 3.741 20 0 GHADHM CC(C)Oc1ccc(NCc2nc(C(F)(F)F)cs2)cc1-c1nn[n-]n1 ZINC000824328864 607685250 /nfs/dbraw/zinc/68/52/50/607685250.db2.gz CHEORLOBGJTVSR-UHFFFAOYSA-N -1 3 384.387 3.741 20 0 GHADHM C[C@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000828462767 604422645 /nfs/dbraw/zinc/42/26/45/604422645.db2.gz MKCJLNYRTGXVAH-IINYFYTJSA-N -1 3 381.295 3.725 20 0 GHADHM Cc1nc2ccccc2n1C[C@H]1CCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000833756336 604547365 /nfs/dbraw/zinc/54/73/65/604547365.db2.gz KDHWCGIEIKECBZ-GOSISDBHSA-N -1 3 389.459 3.515 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2 ZINC000833771849 604651234 /nfs/dbraw/zinc/65/12/34/604651234.db2.gz RWRGJXUOFSKECB-FQEVSTJZSA-N -1 3 388.471 3.621 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826283470 607707593 /nfs/dbraw/zinc/70/75/93/607707593.db2.gz RQDVYEQAZJGUNC-UHFFFAOYSA-N -1 3 379.464 3.730 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826283470 607707594 /nfs/dbraw/zinc/70/75/94/607707594.db2.gz RQDVYEQAZJGUNC-UHFFFAOYSA-N -1 3 379.464 3.730 20 0 GHADHM CC1(C)CCC(CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000824795671 607719832 /nfs/dbraw/zinc/71/98/32/607719832.db2.gz BLJWKGCWWXTHHD-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCC(CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000824795671 607719834 /nfs/dbraw/zinc/71/98/34/607719834.db2.gz BLJWKGCWWXTHHD-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456337 607721469 /nfs/dbraw/zinc/72/14/69/607721469.db2.gz ZEXWMSRYATWCFO-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456337 607721471 /nfs/dbraw/zinc/72/14/71/607721471.db2.gz ZEXWMSRYATWCFO-UHFFFAOYSA-N -1 3 381.399 3.662 20 0 GHADHM Clc1cc(NCc2ccc(COC3CCOCC3)cc2)ccc1-c1nnn[n-]1 ZINC000826351096 607730435 /nfs/dbraw/zinc/73/04/35/607730435.db2.gz WZFQJHYAHKTBBB-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1cc(NCc2ccc(COC3CCOCC3)cc2)ccc1-c1nn[n-]n1 ZINC000826351096 607730437 /nfs/dbraw/zinc/73/04/37/607730437.db2.gz WZFQJHYAHKTBBB-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM C[C@@]1(NCc2csc(COc3ccc(F)cc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569553 605066686 /nfs/dbraw/zinc/06/66/86/605066686.db2.gz MQEIADFXQNPVGW-QFBILLFUSA-N -1 3 378.469 3.984 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000833411899 605179466 /nfs/dbraw/zinc/17/94/66/605179466.db2.gz FKSPPUZCHXGNPD-KRWDZBQOSA-N -1 3 392.402 3.668 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455563 607739166 /nfs/dbraw/zinc/73/91/66/607739166.db2.gz USCVVOZFXWNQEU-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455563 607739167 /nfs/dbraw/zinc/73/91/67/607739167.db2.gz USCVVOZFXWNQEU-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM C[C@@H](Oc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)[O-] ZINC000833537771 605271812 /nfs/dbraw/zinc/27/18/12/605271812.db2.gz ALEBCHWWKJMDRV-CYBMUJFWSA-N -1 3 391.851 3.643 20 0 GHADHM CC(C)(C)c1cn2c(n1)CC[C@@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC000833450101 605358486 /nfs/dbraw/zinc/35/84/86/605358486.db2.gz YUBHVABMHDIVIH-PIGZYNQJSA-N -1 3 379.863 3.703 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457592 607751635 /nfs/dbraw/zinc/75/16/35/607751635.db2.gz ICUKBCQSLZEKIT-UHFFFAOYSA-N -1 3 382.330 3.518 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457592 607751636 /nfs/dbraw/zinc/75/16/36/607751636.db2.gz ICUKBCQSLZEKIT-UHFFFAOYSA-N -1 3 382.330 3.518 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000824329688 607765365 /nfs/dbraw/zinc/76/53/65/607765365.db2.gz ULCYPCCLWNPSSD-KRWDZBQOSA-N -1 3 392.463 3.503 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000824329688 607765366 /nfs/dbraw/zinc/76/53/66/607765366.db2.gz ULCYPCCLWNPSSD-KRWDZBQOSA-N -1 3 392.463 3.503 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826284145 607768784 /nfs/dbraw/zinc/76/87/84/607768784.db2.gz LOZQTEPGPSJJHX-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826284145 607768785 /nfs/dbraw/zinc/76/87/85/607768785.db2.gz LOZQTEPGPSJJHX-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc2cc[nH]c21 ZINC000826459699 607769207 /nfs/dbraw/zinc/76/92/07/607769207.db2.gz VMQLNYZCOLZGSU-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc2cc[nH]c21 ZINC000826459699 607769208 /nfs/dbraw/zinc/76/92/08/607769208.db2.gz VMQLNYZCOLZGSU-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824928522 607769505 /nfs/dbraw/zinc/76/95/05/607769505.db2.gz ULFDPSUTLDAZCN-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824928522 607769506 /nfs/dbraw/zinc/76/95/06/607769506.db2.gz ULFDPSUTLDAZCN-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM O=C(Cc1ccccc1Cl)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423965 607770712 /nfs/dbraw/zinc/77/07/12/607770712.db2.gz PSLXIUKIOVLXQO-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1ccccc1Cl)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423965 607770713 /nfs/dbraw/zinc/77/07/13/607770713.db2.gz PSLXIUKIOVLXQO-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM CCc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825723231 607770513 /nfs/dbraw/zinc/77/05/13/607770513.db2.gz UZOXNJJOHCLOKV-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ccccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825723231 607770514 /nfs/dbraw/zinc/77/05/14/607770514.db2.gz UZOXNJJOHCLOKV-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CC(C)C(=O)Nc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000820011725 606033386 /nfs/dbraw/zinc/03/33/86/606033386.db2.gz OZHQVIDYHMHTER-UHFFFAOYSA-N -1 3 387.447 3.622 20 0 GHADHM CC(C)C(=O)Nc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000820011725 606033388 /nfs/dbraw/zinc/03/33/88/606033388.db2.gz OZHQVIDYHMHTER-UHFFFAOYSA-N -1 3 387.447 3.622 20 0 GHADHM COc1cccc(C2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)c1 ZINC000821863442 606064181 /nfs/dbraw/zinc/06/41/81/606064181.db2.gz KGMPSEUAJGNLKH-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1cccc(C2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)c1 ZINC000821863442 606064186 /nfs/dbraw/zinc/06/41/86/606064186.db2.gz KGMPSEUAJGNLKH-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1ccccc1[C@H](CC(C)C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821882809 606105217 /nfs/dbraw/zinc/10/52/17/606105217.db2.gz LHBSYEQMZMPJRD-IBGZPJMESA-N -1 3 393.491 3.712 20 0 GHADHM COc1ccccc1[C@H](CC(C)C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821882809 606105219 /nfs/dbraw/zinc/10/52/19/606105219.db2.gz LHBSYEQMZMPJRD-IBGZPJMESA-N -1 3 393.491 3.712 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820379545 606153879 /nfs/dbraw/zinc/15/38/79/606153879.db2.gz CVIWGJLKSNTPCI-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820379545 606153881 /nfs/dbraw/zinc/15/38/81/606153881.db2.gz CVIWGJLKSNTPCI-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM COc1ccccc1[C@@H](CC(C)C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821882956 606166248 /nfs/dbraw/zinc/16/62/48/606166248.db2.gz OJGJIQFYODLCLD-QGZVFWFLSA-N -1 3 396.520 3.949 20 0 GHADHM COc1ccccc1[C@@H](CC(C)C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821882956 606166249 /nfs/dbraw/zinc/16/62/49/606166249.db2.gz OJGJIQFYODLCLD-QGZVFWFLSA-N -1 3 396.520 3.949 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548851 606179299 /nfs/dbraw/zinc/17/92/99/606179299.db2.gz GTBUNHWZTRZQKD-YXJHDRRASA-N -1 3 385.537 3.842 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548851 606179301 /nfs/dbraw/zinc/17/93/01/606179301.db2.gz GTBUNHWZTRZQKD-YXJHDRRASA-N -1 3 385.537 3.842 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000820819468 606189646 /nfs/dbraw/zinc/18/96/46/606189646.db2.gz IXCVAKVCJJOZQQ-ZIAGYGMSSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H]1Sc2ccccc2N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000820819468 606189647 /nfs/dbraw/zinc/18/96/47/606189647.db2.gz IXCVAKVCJJOZQQ-ZIAGYGMSSA-N -1 3 379.489 3.715 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000821118432 606192409 /nfs/dbraw/zinc/19/24/09/606192409.db2.gz MSAAAWACPUMLKX-CQSZACIVSA-N -1 3 392.463 3.584 20 0 GHADHM Fc1ccc(OC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000822782889 606220383 /nfs/dbraw/zinc/22/03/83/606220383.db2.gz KVTPPACFGBZFPH-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM Fc1ccc(OC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000822782889 606220384 /nfs/dbraw/zinc/22/03/84/606220384.db2.gz KVTPPACFGBZFPH-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000821702547 606240207 /nfs/dbraw/zinc/24/02/07/606240207.db2.gz XFBPMDJBLAHXFO-DLBZAZTESA-N -1 3 391.431 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000821702547 606240208 /nfs/dbraw/zinc/24/02/08/606240208.db2.gz XFBPMDJBLAHXFO-DLBZAZTESA-N -1 3 391.431 3.652 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2c1cccc2C ZINC000821123378 606282134 /nfs/dbraw/zinc/28/21/34/606282134.db2.gz PYESLJFFEAPMEW-UHFFFAOYSA-N -1 3 389.463 3.660 20 0 GHADHM O=S(=O)(CCSc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561911 606308526 /nfs/dbraw/zinc/30/85/26/606308526.db2.gz LMUGHWBSRKZKOA-UHFFFAOYSA-N -1 3 396.497 3.586 20 0 GHADHM O=S(=O)(CCSc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561911 606308528 /nfs/dbraw/zinc/30/85/28/606308528.db2.gz LMUGHWBSRKZKOA-UHFFFAOYSA-N -1 3 396.497 3.586 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000821407921 606344845 /nfs/dbraw/zinc/34/48/45/606344845.db2.gz XZVXHTJFJIVSPU-PBHICJAKSA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000821407921 606344846 /nfs/dbraw/zinc/34/48/46/606344846.db2.gz XZVXHTJFJIVSPU-PBHICJAKSA-N -1 3 392.463 3.675 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487087 606354006 /nfs/dbraw/zinc/35/40/06/606354006.db2.gz FDLLVXUJMQADKP-WEHUKYGOSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487087 606354009 /nfs/dbraw/zinc/35/40/09/606354009.db2.gz FDLLVXUJMQADKP-WEHUKYGOSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488102 606357604 /nfs/dbraw/zinc/35/76/04/606357604.db2.gz LANAGASUAQQZSC-BZYZDCJZSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488102 606357607 /nfs/dbraw/zinc/35/76/07/606357607.db2.gz LANAGASUAQQZSC-BZYZDCJZSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820691690 606360643 /nfs/dbraw/zinc/36/06/43/606360643.db2.gz YSMDZMZSXNIDCR-HOCLYGCPSA-N -1 3 394.431 3.912 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820691690 606360646 /nfs/dbraw/zinc/36/06/46/606360646.db2.gz YSMDZMZSXNIDCR-HOCLYGCPSA-N -1 3 394.431 3.912 20 0 GHADHM C[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820226445 606397527 /nfs/dbraw/zinc/39/75/27/606397527.db2.gz VMHOLZXNNXWFHG-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820226445 606397529 /nfs/dbraw/zinc/39/75/29/606397529.db2.gz VMHOLZXNNXWFHG-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000819987791 606426917 /nfs/dbraw/zinc/42/69/17/606426917.db2.gz LZAPBPUIBFHLOS-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000819987791 606426918 /nfs/dbraw/zinc/42/69/18/606426918.db2.gz LZAPBPUIBFHLOS-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821034066 606459734 /nfs/dbraw/zinc/45/97/34/606459734.db2.gz IJBFKMYOWNCMMA-CZUORRHYSA-N -1 3 379.489 3.936 20 0 GHADHM CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821034066 606459736 /nfs/dbraw/zinc/45/97/36/606459736.db2.gz IJBFKMYOWNCMMA-CZUORRHYSA-N -1 3 379.489 3.936 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000823114704 606459784 /nfs/dbraw/zinc/45/97/84/606459784.db2.gz BNSZETCRTZOCEE-UHFFFAOYSA-N -1 3 390.472 3.722 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000823114704 606459786 /nfs/dbraw/zinc/45/97/86/606459786.db2.gz BNSZETCRTZOCEE-UHFFFAOYSA-N -1 3 390.472 3.722 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1ccccn1 ZINC000822774227 606461471 /nfs/dbraw/zinc/46/14/71/606461471.db2.gz HQCRZUOXQICYDM-HNNXBMFYSA-N -1 3 395.829 3.944 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1ccccn1 ZINC000822774227 606461473 /nfs/dbraw/zinc/46/14/73/606461473.db2.gz HQCRZUOXQICYDM-HNNXBMFYSA-N -1 3 395.829 3.944 20 0 GHADHM COC(=O)[C@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821644573 606472458 /nfs/dbraw/zinc/47/24/58/606472458.db2.gz CZFNSCOCMGMUKM-GOSISDBHSA-N -1 3 395.463 3.508 20 0 GHADHM COC(=O)[C@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821644573 606472460 /nfs/dbraw/zinc/47/24/60/606472460.db2.gz CZFNSCOCMGMUKM-GOSISDBHSA-N -1 3 395.463 3.508 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000736116881 606479275 /nfs/dbraw/zinc/47/92/75/606479275.db2.gz OZHMBZWKEUCDRJ-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000736116881 606479279 /nfs/dbraw/zinc/47/92/79/606479279.db2.gz OZHMBZWKEUCDRJ-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821903172 606485878 /nfs/dbraw/zinc/48/58/78/606485878.db2.gz CIGGGPKXPRDHKI-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821903172 606485880 /nfs/dbraw/zinc/48/58/80/606485880.db2.gz CIGGGPKXPRDHKI-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1ccccc1F)C1CCCC1 ZINC000823467334 606492693 /nfs/dbraw/zinc/49/26/93/606492693.db2.gz UZLHBOYHGKUURK-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1ccccc1F)C1CCCC1 ZINC000823467334 606492694 /nfs/dbraw/zinc/49/26/94/606492694.db2.gz UZLHBOYHGKUURK-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820938051 606503315 /nfs/dbraw/zinc/50/33/15/606503315.db2.gz HEIOGGSAQDGMTR-HXUWFJFHSA-N -1 3 391.475 3.524 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820938051 606503317 /nfs/dbraw/zinc/50/33/17/606503317.db2.gz HEIOGGSAQDGMTR-HXUWFJFHSA-N -1 3 391.475 3.524 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000823088515 606507558 /nfs/dbraw/zinc/50/75/58/606507558.db2.gz YVOKPTPSIHRGCE-UHFFFAOYSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000823088515 606507560 /nfs/dbraw/zinc/50/75/60/606507560.db2.gz YVOKPTPSIHRGCE-UHFFFAOYSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000823092964 606515353 /nfs/dbraw/zinc/51/53/53/606515353.db2.gz PVZIKIIBAOUYHC-QFIPXVFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000823092964 606515354 /nfs/dbraw/zinc/51/53/54/606515354.db2.gz PVZIKIIBAOUYHC-QFIPXVFZSA-N -1 3 397.482 3.900 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822225293 606516111 /nfs/dbraw/zinc/51/61/11/606516111.db2.gz XANNTMSTFWKSGR-UHFFFAOYSA-N -1 3 393.476 3.798 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822225293 606516113 /nfs/dbraw/zinc/51/61/13/606516113.db2.gz XANNTMSTFWKSGR-UHFFFAOYSA-N -1 3 393.476 3.798 20 0 GHADHM CC(C)(NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819988078 606538867 /nfs/dbraw/zinc/53/88/67/606538867.db2.gz SDQFCQDYQPQIMU-UHFFFAOYSA-N -1 3 390.274 3.768 20 0 GHADHM CC(C)(NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819988078 606538869 /nfs/dbraw/zinc/53/88/69/606538869.db2.gz SDQFCQDYQPQIMU-UHFFFAOYSA-N -1 3 390.274 3.768 20 0 GHADHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823391627 606569495 /nfs/dbraw/zinc/56/94/95/606569495.db2.gz AFRCTCXSHVAOOB-GOSISDBHSA-N -1 3 390.424 3.709 20 0 GHADHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823391627 606569497 /nfs/dbraw/zinc/56/94/97/606569497.db2.gz AFRCTCXSHVAOOB-GOSISDBHSA-N -1 3 390.424 3.709 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820717868 606573187 /nfs/dbraw/zinc/57/31/87/606573187.db2.gz XXQIZFUZGXTFMW-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820717868 606573189 /nfs/dbraw/zinc/57/31/89/606573189.db2.gz XXQIZFUZGXTFMW-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820913041 606573987 /nfs/dbraw/zinc/57/39/87/606573987.db2.gz CDMCFWGEACSZLA-FQEVSTJZSA-N -1 3 377.492 3.587 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820913041 606573989 /nfs/dbraw/zinc/57/39/89/606573989.db2.gz CDMCFWGEACSZLA-FQEVSTJZSA-N -1 3 377.492 3.587 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820717918 606574404 /nfs/dbraw/zinc/57/44/04/606574404.db2.gz YSWZTJYZIPUNPU-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820717918 606574406 /nfs/dbraw/zinc/57/44/06/606574406.db2.gz YSWZTJYZIPUNPU-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM CCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821138712 606596444 /nfs/dbraw/zinc/59/64/44/606596444.db2.gz FOGIPOCMNNVHOP-UHFFFAOYSA-N -1 3 375.379 3.869 20 0 GHADHM CCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821138712 606596445 /nfs/dbraw/zinc/59/64/45/606596445.db2.gz FOGIPOCMNNVHOP-UHFFFAOYSA-N -1 3 375.379 3.869 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000820530240 606601831 /nfs/dbraw/zinc/60/18/31/606601831.db2.gz YPAHKKYGGMSUBR-IFXJQAMLSA-N -1 3 395.438 3.527 20 0 GHADHM COc1cccc([C@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000821860245 606602821 /nfs/dbraw/zinc/60/28/21/606602821.db2.gz ZFZDXFUGMBTJKB-OAHLLOKOSA-N -1 3 391.475 3.560 20 0 GHADHM COc1cccc([C@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000821860245 606602822 /nfs/dbraw/zinc/60/28/22/606602822.db2.gz ZFZDXFUGMBTJKB-OAHLLOKOSA-N -1 3 391.475 3.560 20 0 GHADHM CCCCCC(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821043666 606615610 /nfs/dbraw/zinc/61/56/10/606615610.db2.gz RUBMMNKHHWCYLM-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCCC(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821043666 606615612 /nfs/dbraw/zinc/61/56/12/606615612.db2.gz RUBMMNKHHWCYLM-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820315561 606618372 /nfs/dbraw/zinc/61/83/72/606618372.db2.gz OIHRBKMBFNIGRV-ZDUSSCGKSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820315561 606618373 /nfs/dbraw/zinc/61/83/73/606618373.db2.gz OIHRBKMBFNIGRV-ZDUSSCGKSA-N -1 3 383.883 3.966 20 0 GHADHM Cc1ccc(/C=C\CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000822233190 606621256 /nfs/dbraw/zinc/62/12/56/606621256.db2.gz JWJTUNKEJOWVIM-IHWYPQMZSA-N -1 3 385.374 3.819 20 0 GHADHM Cc1ccc(/C=C\CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000822233190 606621257 /nfs/dbraw/zinc/62/12/57/606621257.db2.gz JWJTUNKEJOWVIM-IHWYPQMZSA-N -1 3 385.374 3.819 20 0 GHADHM CC[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000820938819 606628368 /nfs/dbraw/zinc/62/83/68/606628368.db2.gz MWDSSSBDELCQKM-HNNXBMFYSA-N -1 3 387.896 3.707 20 0 GHADHM CC[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000820938819 606628371 /nfs/dbraw/zinc/62/83/71/606628371.db2.gz MWDSSSBDELCQKM-HNNXBMFYSA-N -1 3 387.896 3.707 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)c1cccs1 ZINC000820335461 606628688 /nfs/dbraw/zinc/62/86/88/606628688.db2.gz YRCRTIMTMJKTTE-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1)c1cccs1 ZINC000820335461 606628690 /nfs/dbraw/zinc/62/86/90/606628690.db2.gz YRCRTIMTMJKTTE-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM Cc1cccc(C(C)C)c1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822289195 606638839 /nfs/dbraw/zinc/63/88/39/606638839.db2.gz UKDHOLKSIAZFJD-OAHLLOKOSA-N -1 3 382.493 3.577 20 0 GHADHM Cc1cccc(C(C)C)c1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822289195 606638840 /nfs/dbraw/zinc/63/88/40/606638840.db2.gz UKDHOLKSIAZFJD-OAHLLOKOSA-N -1 3 382.493 3.577 20 0 GHADHM O=C(Nc1ccccc1Cc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372653 606664089 /nfs/dbraw/zinc/66/40/89/606664089.db2.gz JHYDVBBGPGAITI-UHFFFAOYSA-N -1 3 391.381 3.988 20 0 GHADHM O=C(Nc1ccccc1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372653 606664090 /nfs/dbraw/zinc/66/40/90/606664090.db2.gz JHYDVBBGPGAITI-UHFFFAOYSA-N -1 3 391.381 3.988 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820055603 606664311 /nfs/dbraw/zinc/66/43/11/606664311.db2.gz IQEJGNOLSWMCLZ-LBPRGKRZSA-N -1 3 377.514 3.587 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820055603 606664312 /nfs/dbraw/zinc/66/43/12/606664312.db2.gz IQEJGNOLSWMCLZ-LBPRGKRZSA-N -1 3 377.514 3.587 20 0 GHADHM O=C(Cc1ccc(F)cc1F)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823082791 606664751 /nfs/dbraw/zinc/66/47/51/606664751.db2.gz PXKVJVJSOVAGGW-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(Cc1ccc(F)cc1F)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823082791 606664752 /nfs/dbraw/zinc/66/47/52/606664752.db2.gz PXKVJVJSOVAGGW-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000820385443 606667861 /nfs/dbraw/zinc/66/78/61/606667861.db2.gz SCIGWGFJJOWCON-NSHDSACASA-N -1 3 385.418 3.933 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000820385443 606667862 /nfs/dbraw/zinc/66/78/62/606667862.db2.gz SCIGWGFJJOWCON-NSHDSACASA-N -1 3 385.418 3.933 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821461407 606677692 /nfs/dbraw/zinc/67/76/92/606677692.db2.gz NNGJSPPFFZUROI-SNVBAGLBSA-N -1 3 389.431 3.748 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821461407 606677693 /nfs/dbraw/zinc/67/76/93/606677693.db2.gz NNGJSPPFFZUROI-SNVBAGLBSA-N -1 3 389.431 3.748 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820820948 606691868 /nfs/dbraw/zinc/69/18/68/606691868.db2.gz QQRPXJFMJXJMKL-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820820948 606691869 /nfs/dbraw/zinc/69/18/69/606691869.db2.gz QQRPXJFMJXJMKL-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM CCc1cnc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)o1 ZINC000821499854 606702547 /nfs/dbraw/zinc/70/25/47/606702547.db2.gz SNLUIMCHSLGBHV-UHFFFAOYSA-N -1 3 394.410 3.747 20 0 GHADHM CCc1cnc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)o1 ZINC000821499854 606702549 /nfs/dbraw/zinc/70/25/49/606702549.db2.gz SNLUIMCHSLGBHV-UHFFFAOYSA-N -1 3 394.410 3.747 20 0 GHADHM Cc1csc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)n1 ZINC000822414511 606707862 /nfs/dbraw/zinc/70/78/62/606707862.db2.gz ISJGTBNKAQLJHE-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM Cc1csc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)n1 ZINC000822414511 606707865 /nfs/dbraw/zinc/70/78/65/606707865.db2.gz ISJGTBNKAQLJHE-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823139327 606749554 /nfs/dbraw/zinc/74/95/54/606749554.db2.gz DIVYWCPIOTYRIL-UHFFFAOYSA-N -1 3 377.473 3.690 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823139327 606749555 /nfs/dbraw/zinc/74/95/55/606749555.db2.gz DIVYWCPIOTYRIL-UHFFFAOYSA-N -1 3 377.473 3.690 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC2(C3CC3)CC2)cc1 ZINC000822136969 606749605 /nfs/dbraw/zinc/74/96/05/606749605.db2.gz RQLMKXZYROOIRZ-UHFFFAOYSA-N -1 3 375.432 3.640 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC2(C3CC3)CC2)cc1 ZINC000822136969 606749607 /nfs/dbraw/zinc/74/96/07/606749607.db2.gz RQLMKXZYROOIRZ-UHFFFAOYSA-N -1 3 375.432 3.640 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881764 606753595 /nfs/dbraw/zinc/75/35/95/606753595.db2.gz CVPDYZFVMUWNSC-KBPBESRZSA-N -1 3 393.447 3.564 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881764 606753597 /nfs/dbraw/zinc/75/35/97/606753597.db2.gz CVPDYZFVMUWNSC-KBPBESRZSA-N -1 3 393.447 3.564 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Br)s1 ZINC000822183990 606760595 /nfs/dbraw/zinc/76/05/95/606760595.db2.gz NCWXYTNNJHJALU-VIFPVBQESA-N -1 3 393.266 3.917 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Br)s1 ZINC000822183990 606760598 /nfs/dbraw/zinc/76/05/98/606760598.db2.gz NCWXYTNNJHJALU-VIFPVBQESA-N -1 3 393.266 3.917 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000822217778 606770789 /nfs/dbraw/zinc/77/07/89/606770789.db2.gz NLHMGUNLYHOTTO-INIZCTEOSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000822217778 606770790 /nfs/dbraw/zinc/77/07/90/606770790.db2.gz NLHMGUNLYHOTTO-INIZCTEOSA-N -1 3 378.436 3.599 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820971240 606787218 /nfs/dbraw/zinc/78/72/18/606787218.db2.gz AALDBMGMDJZICO-KDOFPFPSSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820971240 606787220 /nfs/dbraw/zinc/78/72/20/606787220.db2.gz AALDBMGMDJZICO-KDOFPFPSSA-N -1 3 379.420 3.555 20 0 GHADHM FC(F)n1c(COc2cc(Cl)ccc2-c2nnn[n-]2)nc2ccccc21 ZINC000822736823 606787224 /nfs/dbraw/zinc/78/72/24/606787224.db2.gz KVYUGJKVJOTCSP-UHFFFAOYSA-N -1 3 376.754 3.844 20 0 GHADHM FC(F)n1c(COc2cc(Cl)ccc2-c2nn[n-]n2)nc2ccccc21 ZINC000822736823 606787226 /nfs/dbraw/zinc/78/72/26/606787226.db2.gz KVYUGJKVJOTCSP-UHFFFAOYSA-N -1 3 376.754 3.844 20 0 GHADHM CCc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(-c2ccncc2)n1 ZINC000821476125 606789562 /nfs/dbraw/zinc/78/95/62/606789562.db2.gz ITRYDLISBASLNB-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM CCc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC000821476125 606789564 /nfs/dbraw/zinc/78/95/64/606789564.db2.gz ITRYDLISBASLNB-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM CCCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1)C1CC1 ZINC000821082735 606790370 /nfs/dbraw/zinc/79/03/70/606790370.db2.gz MZYJYIWBEDJLSF-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM CCCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1)C1CC1 ZINC000821082735 606790371 /nfs/dbraw/zinc/79/03/71/606790371.db2.gz MZYJYIWBEDJLSF-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM O=C([C@@H]1CCSC1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822916941 606811551 /nfs/dbraw/zinc/81/15/51/606811551.db2.gz JBMFUCBTJMJKGM-OAHLLOKOSA-N -1 3 399.907 3.806 20 0 GHADHM O=C([C@@H]1CCSC1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822916941 606811553 /nfs/dbraw/zinc/81/15/53/606811553.db2.gz JBMFUCBTJMJKGM-OAHLLOKOSA-N -1 3 399.907 3.806 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)on1 ZINC000819958121 606852891 /nfs/dbraw/zinc/85/28/91/606852891.db2.gz IYJZFCUUVRICSG-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)on1 ZINC000819958121 606852894 /nfs/dbraw/zinc/85/28/94/606852894.db2.gz IYJZFCUUVRICSG-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467299127 606859193 /nfs/dbraw/zinc/85/91/93/606859193.db2.gz ZCBWEKBELRVHEH-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467299127 606859196 /nfs/dbraw/zinc/85/91/96/606859196.db2.gz ZCBWEKBELRVHEH-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM CCC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000821041141 606905988 /nfs/dbraw/zinc/90/59/88/606905988.db2.gz ZRFOHABLOLKBMN-NSHDSACASA-N -1 3 380.399 3.512 20 0 GHADHM CCC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000821041141 606905989 /nfs/dbraw/zinc/90/59/89/606905989.db2.gz ZRFOHABLOLKBMN-NSHDSACASA-N -1 3 380.399 3.512 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821449691 606906106 /nfs/dbraw/zinc/90/61/06/606906106.db2.gz WJVCJIOWBXTVHZ-NWDGAFQWSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821449691 606906108 /nfs/dbraw/zinc/90/61/08/606906108.db2.gz WJVCJIOWBXTVHZ-NWDGAFQWSA-N -1 3 380.905 3.658 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(Cc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000822727913 606921606 /nfs/dbraw/zinc/92/16/06/606921606.db2.gz BOOCRCCJYOWUJL-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2cnn(Cc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000822727913 606921607 /nfs/dbraw/zinc/92/16/07/606921607.db2.gz BOOCRCCJYOWUJL-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1cc(N2CCO[C@@H](c3ccsc3)C2)ccc1-c1nnn[n-]1 ZINC000822723898 606949849 /nfs/dbraw/zinc/94/98/49/606949849.db2.gz SCOZAHUGRFOTDG-CQSZACIVSA-N -1 3 381.383 3.525 20 0 GHADHM FC(F)(F)c1cc(N2CCO[C@@H](c3ccsc3)C2)ccc1-c1nn[n-]n1 ZINC000822723898 606949850 /nfs/dbraw/zinc/94/98/50/606949850.db2.gz SCOZAHUGRFOTDG-CQSZACIVSA-N -1 3 381.383 3.525 20 0 GHADHM FC(F)(F)c1ccc(N2CCO[C@@H](c3ccsc3)C2)c(-c2nnn[n-]2)c1 ZINC000822723806 606949865 /nfs/dbraw/zinc/94/98/65/606949865.db2.gz PHCNUWFCXSUFNU-CQSZACIVSA-N -1 3 381.383 3.525 20 0 GHADHM FC(F)(F)c1ccc(N2CCO[C@@H](c3ccsc3)C2)c(-c2nn[n-]n2)c1 ZINC000822723806 606949866 /nfs/dbraw/zinc/94/98/66/606949866.db2.gz PHCNUWFCXSUFNU-CQSZACIVSA-N -1 3 381.383 3.525 20 0 GHADHM Cc1nc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)oc1-c1ccc(Cl)cc1 ZINC000822427818 606950404 /nfs/dbraw/zinc/95/04/04/606950404.db2.gz WCUZRFYKTGWKFA-JTQLQIEISA-N -1 3 398.810 3.730 20 0 GHADHM Cc1nc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)oc1-c1ccc(Cl)cc1 ZINC000822427818 606950406 /nfs/dbraw/zinc/95/04/06/606950406.db2.gz WCUZRFYKTGWKFA-JTQLQIEISA-N -1 3 398.810 3.730 20 0 GHADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574528 606958991 /nfs/dbraw/zinc/95/89/91/606958991.db2.gz KJNGTLIWJBWPGH-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574528 606958992 /nfs/dbraw/zinc/95/89/92/606958992.db2.gz KJNGTLIWJBWPGH-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM COCc1c2ccccc2oc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821695129 606959785 /nfs/dbraw/zinc/95/97/85/606959785.db2.gz KLVNANWJHJVTPJ-UHFFFAOYSA-N -1 3 397.822 3.689 20 0 GHADHM COCc1c2ccccc2oc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821695129 606959786 /nfs/dbraw/zinc/95/97/86/606959786.db2.gz KLVNANWJHJVTPJ-UHFFFAOYSA-N -1 3 397.822 3.689 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3sccc3-c3nnn[n-]3)o2)cc1C ZINC000822214275 606997410 /nfs/dbraw/zinc/99/74/10/606997410.db2.gz XKIXTCHYLDAKDT-LLVKDONJSA-N -1 3 396.432 3.513 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820214595 607000129 /nfs/dbraw/zinc/00/01/29/607000129.db2.gz KEUUZRIHOHNPBF-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820214595 607000131 /nfs/dbraw/zinc/00/01/31/607000131.db2.gz KEUUZRIHOHNPBF-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1Cl ZINC000823426183 607002646 /nfs/dbraw/zinc/00/26/46/607002646.db2.gz BUUVNZPJSLYHFR-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1Cl ZINC000823426183 607002649 /nfs/dbraw/zinc/00/26/49/607002649.db2.gz BUUVNZPJSLYHFR-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823359358 607011970 /nfs/dbraw/zinc/01/19/70/607011970.db2.gz MHSBEEQZTOSPHT-QGZVFWFLSA-N -1 3 390.447 3.825 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823359358 607011972 /nfs/dbraw/zinc/01/19/72/607011972.db2.gz MHSBEEQZTOSPHT-QGZVFWFLSA-N -1 3 390.447 3.825 20 0 GHADHM CCSCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821462189 607044902 /nfs/dbraw/zinc/04/49/02/607044902.db2.gz WXSUBLCMLPUBNP-UHFFFAOYSA-N -1 3 397.504 3.916 20 0 GHADHM CCSCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821462189 607044903 /nfs/dbraw/zinc/04/49/03/607044903.db2.gz WXSUBLCMLPUBNP-UHFFFAOYSA-N -1 3 397.504 3.916 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1sccc1Br ZINC000820433506 607057176 /nfs/dbraw/zinc/05/71/76/607057176.db2.gz YHXQLIQTJDSQAB-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1sccc1Br ZINC000820433506 607057177 /nfs/dbraw/zinc/05/71/77/607057177.db2.gz YHXQLIQTJDSQAB-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822233916 607086140 /nfs/dbraw/zinc/08/61/40/607086140.db2.gz XUJLRHVDRFQKCS-RBUKOAKNSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822233916 607086141 /nfs/dbraw/zinc/08/61/41/607086141.db2.gz XUJLRHVDRFQKCS-RBUKOAKNSA-N -1 3 396.422 3.525 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913145 607093948 /nfs/dbraw/zinc/09/39/48/607093948.db2.gz CTFGMWGWQMTLPX-OXJNMPFZSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913145 607093949 /nfs/dbraw/zinc/09/39/49/607093949.db2.gz CTFGMWGWQMTLPX-OXJNMPFZSA-N -1 3 392.507 3.981 20 0 GHADHM C[C@@H](c1cccc(Br)c1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562655 607120686 /nfs/dbraw/zinc/12/06/86/607120686.db2.gz IDCQSEFQUPVLRX-RULNZOCKSA-N -1 3 391.294 3.639 20 0 GHADHM C[C@@H](c1cccc(Br)c1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562655 607120688 /nfs/dbraw/zinc/12/06/88/607120688.db2.gz IDCQSEFQUPVLRX-RULNZOCKSA-N -1 3 391.294 3.639 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000821702870 607136532 /nfs/dbraw/zinc/13/65/32/607136532.db2.gz DQTIWCLZTFUQQN-UHFFFAOYSA-N -1 3 392.419 3.508 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000821702870 607136534 /nfs/dbraw/zinc/13/65/34/607136534.db2.gz DQTIWCLZTFUQQN-UHFFFAOYSA-N -1 3 392.419 3.508 20 0 GHADHM O=C(Cc1ccc(O)cc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823082777 607143071 /nfs/dbraw/zinc/14/30/71/607143071.db2.gz PDXWPVZDJUZVOG-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(F)cc1Cl ZINC000821105047 607145088 /nfs/dbraw/zinc/14/50/88/607145088.db2.gz WLVKIVHVICTTIY-UHFFFAOYSA-N -1 3 387.846 3.641 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(F)cc1Cl ZINC000821105047 607145091 /nfs/dbraw/zinc/14/50/91/607145091.db2.gz WLVKIVHVICTTIY-UHFFFAOYSA-N -1 3 387.846 3.641 20 0 GHADHM Cc1ccccc1-c1nc(CSCc2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000822345970 607150817 /nfs/dbraw/zinc/15/08/17/607150817.db2.gz YGTAPVADIYAQDH-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1-c1nc(CSCc2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000822345970 607150818 /nfs/dbraw/zinc/15/08/18/607150818.db2.gz YGTAPVADIYAQDH-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081590 607153312 /nfs/dbraw/zinc/15/33/12/607153312.db2.gz MDBWFFPMOSGZRP-INIZCTEOSA-N -1 3 379.464 3.571 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081590 607153314 /nfs/dbraw/zinc/15/33/14/607153314.db2.gz MDBWFFPMOSGZRP-INIZCTEOSA-N -1 3 379.464 3.571 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000821465315 607157152 /nfs/dbraw/zinc/15/71/52/607157152.db2.gz FQKVNNBGCAAQEA-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000821465315 607157153 /nfs/dbraw/zinc/15/71/53/607157153.db2.gz FQKVNNBGCAAQEA-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1sccc1Br ZINC000823319046 607189486 /nfs/dbraw/zinc/18/94/86/607189486.db2.gz PLXLZWHVVCNZLN-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1sccc1Br ZINC000823319046 607189487 /nfs/dbraw/zinc/18/94/87/607189487.db2.gz PLXLZWHVVCNZLN-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000819844407 607189918 /nfs/dbraw/zinc/18/99/18/607189918.db2.gz GXUADRCLQVNMQQ-UHFFFAOYSA-N -1 3 399.838 3.520 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000819844407 607189919 /nfs/dbraw/zinc/18/99/19/607189919.db2.gz GXUADRCLQVNMQQ-UHFFFAOYSA-N -1 3 399.838 3.520 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823313550 607190383 /nfs/dbraw/zinc/19/03/83/607190383.db2.gz DZDJKOAUMOULHO-MGPUTAFESA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823313550 607190384 /nfs/dbraw/zinc/19/03/84/607190384.db2.gz DZDJKOAUMOULHO-MGPUTAFESA-N -1 3 379.851 3.753 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000822369639 607196832 /nfs/dbraw/zinc/19/68/32/607196832.db2.gz KZYUCDMSKFDVHF-OAHLLOKOSA-N -1 3 385.859 3.742 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000822369639 607196833 /nfs/dbraw/zinc/19/68/33/607196833.db2.gz KZYUCDMSKFDVHF-OAHLLOKOSA-N -1 3 385.859 3.742 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821456193 607198098 /nfs/dbraw/zinc/19/80/98/607198098.db2.gz OCQYQGKADMHBNL-RYUDHWBXSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821456193 607198099 /nfs/dbraw/zinc/19/80/99/607198099.db2.gz OCQYQGKADMHBNL-RYUDHWBXSA-N -1 3 380.905 3.706 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820373828 607198888 /nfs/dbraw/zinc/19/88/88/607198888.db2.gz JLBFOFGRGKPEAW-DINDLPBHSA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820373828 607198889 /nfs/dbraw/zinc/19/88/89/607198889.db2.gz JLBFOFGRGKPEAW-DINDLPBHSA-N -1 3 398.854 3.595 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822352389 607201941 /nfs/dbraw/zinc/20/19/41/607201941.db2.gz YNBLIYZOWUPNGK-CQSZACIVSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822352389 607201942 /nfs/dbraw/zinc/20/19/42/607201942.db2.gz YNBLIYZOWUPNGK-CQSZACIVSA-N -1 3 382.855 3.850 20 0 GHADHM O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261592 607202873 /nfs/dbraw/zinc/20/28/73/607202873.db2.gz OWVDOJVAOWRQNT-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261592 607202874 /nfs/dbraw/zinc/20/28/74/607202874.db2.gz OWVDOJVAOWRQNT-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2c1 ZINC000820402726 607231261 /nfs/dbraw/zinc/23/12/61/607231261.db2.gz FOTADHNVAFYYKN-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2ccccc2c1 ZINC000820402726 607231262 /nfs/dbraw/zinc/23/12/62/607231262.db2.gz FOTADHNVAFYYKN-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000820107768 607233303 /nfs/dbraw/zinc/23/33/03/607233303.db2.gz BNQJSGVGFWRAGM-UHFFFAOYSA-N -1 3 395.854 3.778 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000820107768 607233304 /nfs/dbraw/zinc/23/33/04/607233304.db2.gz BNQJSGVGFWRAGM-UHFFFAOYSA-N -1 3 395.854 3.778 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821765393 607234468 /nfs/dbraw/zinc/23/44/68/607234468.db2.gz CILWKPWORHKTQX-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765393 607234469 /nfs/dbraw/zinc/23/44/69/607234469.db2.gz CILWKPWORHKTQX-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(F)cc1C(F)(F)F ZINC000823387816 607236086 /nfs/dbraw/zinc/23/60/86/607236086.db2.gz YZYDBNISEROUKJ-UHFFFAOYSA-N -1 3 397.357 3.827 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(F)cc1C(F)(F)F ZINC000823387816 607236087 /nfs/dbraw/zinc/23/60/87/607236087.db2.gz YZYDBNISEROUKJ-UHFFFAOYSA-N -1 3 397.357 3.827 20 0 GHADHM COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821728627 607242347 /nfs/dbraw/zinc/24/23/47/607242347.db2.gz XQAOONMJPABWBF-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821728627 607242348 /nfs/dbraw/zinc/24/23/48/607242348.db2.gz XQAOONMJPABWBF-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM Cc1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822116717 607252143 /nfs/dbraw/zinc/25/21/43/607252143.db2.gz WSBUTYZEENSBLB-UHFFFAOYSA-N -1 3 394.382 3.883 20 0 GHADHM Cc1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822116717 607252144 /nfs/dbraw/zinc/25/21/44/607252144.db2.gz WSBUTYZEENSBLB-UHFFFAOYSA-N -1 3 394.382 3.883 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824806911 607774242 /nfs/dbraw/zinc/77/42/42/607774242.db2.gz FEFZUXVXIYGOSJ-FQEVSTJZSA-N -1 3 375.476 3.629 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824806911 607774243 /nfs/dbraw/zinc/77/42/43/607774243.db2.gz FEFZUXVXIYGOSJ-FQEVSTJZSA-N -1 3 375.476 3.629 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc(C(F)(F)F)cs1 ZINC000826185112 607785850 /nfs/dbraw/zinc/78/58/50/607785850.db2.gz YVLVYNCKFCKGRK-UHFFFAOYSA-N -1 3 387.412 3.784 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(C(F)(F)F)cs1 ZINC000826185112 607785851 /nfs/dbraw/zinc/78/58/51/607785851.db2.gz YVLVYNCKFCKGRK-UHFFFAOYSA-N -1 3 387.412 3.784 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825830784 607788529 /nfs/dbraw/zinc/78/85/29/607788529.db2.gz XQEUDHBUASXVLF-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825830784 607788530 /nfs/dbraw/zinc/78/85/30/607788530.db2.gz XQEUDHBUASXVLF-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CC1(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCCC1 ZINC000824816680 607793765 /nfs/dbraw/zinc/79/37/65/607793765.db2.gz HOMZSOJVZXKCKE-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C1CC1)C1CC1 ZINC000826457409 607794318 /nfs/dbraw/zinc/79/43/18/607794318.db2.gz ZZZVDDBDFNNIBE-UHFFFAOYSA-N -1 3 389.459 3.820 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(C1CC1)C1CC1 ZINC000826457409 607794319 /nfs/dbraw/zinc/79/43/19/607794319.db2.gz ZZZVDDBDFNNIBE-UHFFFAOYSA-N -1 3 389.459 3.820 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824457271 607830346 /nfs/dbraw/zinc/83/03/46/607830346.db2.gz IQDRASUGMHJIEW-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824457271 607830347 /nfs/dbraw/zinc/83/03/47/607830347.db2.gz IQDRASUGMHJIEW-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c2c1 ZINC000826213101 607830574 /nfs/dbraw/zinc/83/05/74/607830574.db2.gz LEFYBXOQZLLERL-UHFFFAOYSA-N -1 3 393.834 3.863 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c2c1 ZINC000826213101 607830575 /nfs/dbraw/zinc/83/05/75/607830575.db2.gz LEFYBXOQZLLERL-UHFFFAOYSA-N -1 3 393.834 3.863 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4ccc5cc(-c6nnn[n-]6)ccc5n4)CC3)nc2c1 ZINC000826522536 607840204 /nfs/dbraw/zinc/84/02/04/607840204.db2.gz FWBMWAXBVYJQRC-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4ccc5cc(-c6nn[n-]n6)ccc5n4)CC3)nc2c1 ZINC000826522536 607840205 /nfs/dbraw/zinc/84/02/05/607840205.db2.gz FWBMWAXBVYJQRC-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM CCn1c(=O)c2cc(F)ccc2nc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825796972 607932528 /nfs/dbraw/zinc/93/25/28/607932528.db2.gz RXMDTKKXNPSSQG-LLVKDONJSA-N -1 3 396.451 3.589 20 0 GHADHM CCn1c(=O)c2cc(F)ccc2nc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825796972 607932529 /nfs/dbraw/zinc/93/25/29/607932529.db2.gz RXMDTKKXNPSSQG-LLVKDONJSA-N -1 3 396.451 3.589 20 0 GHADHM O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399524 607948894 /nfs/dbraw/zinc/94/88/94/607948894.db2.gz YAUMOUHWXPDQIS-VQTJNVASSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399524 607948895 /nfs/dbraw/zinc/94/88/95/607948895.db2.gz YAUMOUHWXPDQIS-VQTJNVASSA-N -1 3 381.439 3.713 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337552 607965982 /nfs/dbraw/zinc/96/59/82/607965982.db2.gz SMYXVSMFNHLVPX-SMDDNHRTSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337552 607965983 /nfs/dbraw/zinc/96/59/83/607965983.db2.gz SMYXVSMFNHLVPX-SMDDNHRTSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262045 607980323 /nfs/dbraw/zinc/98/03/23/607980323.db2.gz CLMQYAQXLWJJHL-DJJJIMSYSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262045 607980324 /nfs/dbraw/zinc/98/03/24/607980324.db2.gz CLMQYAQXLWJJHL-DJJJIMSYSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826273855 608008568 /nfs/dbraw/zinc/00/85/68/608008568.db2.gz XDIDYLXXUHDJMF-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826273855 608008569 /nfs/dbraw/zinc/00/85/69/608008569.db2.gz XDIDYLXXUHDJMF-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cc([C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262743 608009600 /nfs/dbraw/zinc/00/96/00/608009600.db2.gz XBWREBROCVQBNP-IBGZPJMESA-N -1 3 397.479 3.674 20 0 GHADHM Cc1cc([C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262743 608009601 /nfs/dbraw/zinc/00/96/01/608009601.db2.gz XBWREBROCVQBNP-IBGZPJMESA-N -1 3 397.479 3.674 20 0 GHADHM COc1ccccc1[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000826218971 608017232 /nfs/dbraw/zinc/01/72/32/608017232.db2.gz PPNITTLKOIEDEY-GOSISDBHSA-N -1 3 394.385 3.750 20 0 GHADHM COc1ccccc1[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000826218971 608017233 /nfs/dbraw/zinc/01/72/33/608017233.db2.gz PPNITTLKOIEDEY-GOSISDBHSA-N -1 3 394.385 3.750 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000824148400 608025300 /nfs/dbraw/zinc/02/53/00/608025300.db2.gz TVYVKGWCJNIVAQ-UHFFFAOYSA-N -1 3 376.420 3.936 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000824148400 608025301 /nfs/dbraw/zinc/02/53/01/608025301.db2.gz TVYVKGWCJNIVAQ-UHFFFAOYSA-N -1 3 376.420 3.936 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnn([C@H](C)CC)c1C1CC1 ZINC000825627405 608025790 /nfs/dbraw/zinc/02/57/90/608025790.db2.gz YRFUSCTURJJQBX-GFCCVEGCSA-N -1 3 395.467 3.563 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn([C@H](C)CC)c1C1CC1 ZINC000825627405 608025791 /nfs/dbraw/zinc/02/57/91/608025791.db2.gz YRFUSCTURJJQBX-GFCCVEGCSA-N -1 3 395.467 3.563 20 0 GHADHM Cn1c2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2nc1C(C)(C)C ZINC000826355425 608028248 /nfs/dbraw/zinc/02/82/48/608028248.db2.gz YUGDOPUYMJGXQT-UHFFFAOYSA-N -1 3 379.443 3.802 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824864308 608028573 /nfs/dbraw/zinc/02/85/73/608028573.db2.gz AFEIBEWEARIFNJ-KDOFPFPSSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824864308 608028574 /nfs/dbraw/zinc/02/85/74/608028574.db2.gz AFEIBEWEARIFNJ-KDOFPFPSSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000130551281 608049675 /nfs/dbraw/zinc/04/96/75/608049675.db2.gz BIGQNFCBPNIKOH-OAHLLOKOSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000130551281 608049676 /nfs/dbraw/zinc/04/96/76/608049676.db2.gz BIGQNFCBPNIKOH-OAHLLOKOSA-N -1 3 397.438 3.840 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826430148 608060765 /nfs/dbraw/zinc/06/07/65/608060765.db2.gz VJDDUQORUKQFMF-UHFFFAOYSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(NC1CCC(F)(F)CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826430148 608060766 /nfs/dbraw/zinc/06/07/66/608060766.db2.gz VJDDUQORUKQFMF-UHFFFAOYSA-N -1 3 399.401 3.967 20 0 GHADHM CCC(CC)[C@@H](C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000825095124 608071461 /nfs/dbraw/zinc/07/14/61/608071461.db2.gz DKOHZWRSSXOZJN-SECBINFHSA-N -1 3 397.273 3.616 20 0 GHADHM CCC(CC)[C@@H](C)C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000825095124 608071462 /nfs/dbraw/zinc/07/14/62/608071462.db2.gz DKOHZWRSSXOZJN-SECBINFHSA-N -1 3 397.273 3.616 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826236290 608074215 /nfs/dbraw/zinc/07/42/15/608074215.db2.gz GJRPRGCKSAMHHK-VOTSOKGWSA-N -1 3 375.766 3.759 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826236290 608074216 /nfs/dbraw/zinc/07/42/16/608074216.db2.gz GJRPRGCKSAMHHK-VOTSOKGWSA-N -1 3 375.766 3.759 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272141 608085252 /nfs/dbraw/zinc/08/52/52/608085252.db2.gz WLANYACMGMZPQC-APWZRJJASA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@@H](C)CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272141 608085253 /nfs/dbraw/zinc/08/52/53/608085253.db2.gz WLANYACMGMZPQC-APWZRJJASA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272143 608085443 /nfs/dbraw/zinc/08/54/43/608085443.db2.gz WLANYACMGMZPQC-QFBILLFUSA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272143 608085444 /nfs/dbraw/zinc/08/54/44/608085444.db2.gz WLANYACMGMZPQC-QFBILLFUSA-N -1 3 385.512 3.763 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c(-c2nnn[n-]2)c1 ZINC000826369015 608098879 /nfs/dbraw/zinc/09/88/79/608098879.db2.gz JIEURMKKFYGWNZ-JHJVBQTASA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c(-c2nn[n-]n2)c1 ZINC000826369015 608098880 /nfs/dbraw/zinc/09/88/80/608098880.db2.gz JIEURMKKFYGWNZ-JHJVBQTASA-N -1 3 387.456 3.677 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000824763776 608104254 /nfs/dbraw/zinc/10/42/54/608104254.db2.gz PAZOAFGZXWLFRZ-NSHDSACASA-N -1 3 397.485 3.700 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000824763776 608104255 /nfs/dbraw/zinc/10/42/55/608104255.db2.gz PAZOAFGZXWLFRZ-NSHDSACASA-N -1 3 397.485 3.700 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000824039971 608119539 /nfs/dbraw/zinc/11/95/39/608119539.db2.gz JXMWYXXPVDLRFS-CYBMUJFWSA-N -1 3 385.418 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000824039971 608119540 /nfs/dbraw/zinc/11/95/40/608119540.db2.gz JXMWYXXPVDLRFS-CYBMUJFWSA-N -1 3 385.418 3.686 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824864533 608119640 /nfs/dbraw/zinc/11/96/40/608119640.db2.gz BPXDQBISQAFXLF-ZIAGYGMSSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824864533 608119641 /nfs/dbraw/zinc/11/96/41/608119641.db2.gz BPXDQBISQAFXLF-ZIAGYGMSSA-N -1 3 391.431 3.603 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826405645 608150761 /nfs/dbraw/zinc/15/07/61/608150761.db2.gz NQFWXVGVUXIOHQ-UHFFFAOYSA-N -1 3 392.341 3.725 20 0 GHADHM CCc1cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc2n1 ZINC000825700780 608153536 /nfs/dbraw/zinc/15/35/36/608153536.db2.gz SGRAILNHAJWSAY-UHFFFAOYSA-N -1 3 399.414 3.606 20 0 GHADHM CCc1cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc2n1 ZINC000825700780 608153537 /nfs/dbraw/zinc/15/35/37/608153537.db2.gz SGRAILNHAJWSAY-UHFFFAOYSA-N -1 3 399.414 3.606 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824722495 608183800 /nfs/dbraw/zinc/18/38/00/608183800.db2.gz JBLVUYSBGMGSBJ-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824722495 608183802 /nfs/dbraw/zinc/18/38/02/608183802.db2.gz JBLVUYSBGMGSBJ-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM CCCc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000825348518 608184091 /nfs/dbraw/zinc/18/40/91/608184091.db2.gz OMDBYQDIPUZCPF-CYBMUJFWSA-N -1 3 381.436 3.576 20 0 GHADHM CCCc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000825348518 608184092 /nfs/dbraw/zinc/18/40/92/608184092.db2.gz OMDBYQDIPUZCPF-CYBMUJFWSA-N -1 3 381.436 3.576 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826271781 608185942 /nfs/dbraw/zinc/18/59/42/608185942.db2.gz HCJPLKRSKISPKV-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826271781 608185944 /nfs/dbraw/zinc/18/59/44/608185944.db2.gz HCJPLKRSKISPKV-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM Clc1cccc(SCc2nc(Cc3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826353499 608207585 /nfs/dbraw/zinc/20/75/85/608207585.db2.gz RMQWOPDTCXJGCN-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1cccc(SCc2nc(Cc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826353499 608207586 /nfs/dbraw/zinc/20/75/86/608207586.db2.gz RMQWOPDTCXJGCN-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM C[C@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824656476 608218546 /nfs/dbraw/zinc/21/85/46/608218546.db2.gz KIRPULTVVNGWMK-NSHDSACASA-N -1 3 394.504 3.733 20 0 GHADHM C[C@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824656476 608218547 /nfs/dbraw/zinc/21/85/47/608218547.db2.gz KIRPULTVVNGWMK-NSHDSACASA-N -1 3 394.504 3.733 20 0 GHADHM c1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc(OC2CCCC2)n1 ZINC000826516741 608224309 /nfs/dbraw/zinc/22/43/09/608224309.db2.gz ZBXBADRTIOJSMW-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc(OC2CCCC2)n1 ZINC000826516741 608224311 /nfs/dbraw/zinc/22/43/11/608224311.db2.gz ZBXBADRTIOJSMW-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000824655704 608225046 /nfs/dbraw/zinc/22/50/46/608225046.db2.gz FAFCZWUHVGRCRG-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000824655704 608225047 /nfs/dbraw/zinc/22/50/47/608225047.db2.gz FAFCZWUHVGRCRG-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826520376 608226023 /nfs/dbraw/zinc/22/60/23/608226023.db2.gz ICEVIAUSGDCGIL-GHTZIAJQSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826520376 608226025 /nfs/dbraw/zinc/22/60/25/608226025.db2.gz ICEVIAUSGDCGIL-GHTZIAJQSA-N -1 3 386.459 3.995 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826180019 608229179 /nfs/dbraw/zinc/22/91/79/608229179.db2.gz PBDKYODAYDYOAM-NSHDSACASA-N -1 3 394.410 3.744 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826180019 608229180 /nfs/dbraw/zinc/22/91/80/608229180.db2.gz PBDKYODAYDYOAM-NSHDSACASA-N -1 3 394.410 3.744 20 0 GHADHM c1cc2nc(N3CCC(OCC4CCCCC4)CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518734 608231551 /nfs/dbraw/zinc/23/15/51/608231551.db2.gz WHDNKXNMIHUBFQ-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM c1cc2nc(N3CCC(OCC4CCCCC4)CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518734 608231552 /nfs/dbraw/zinc/23/15/52/608231552.db2.gz WHDNKXNMIHUBFQ-UHFFFAOYSA-N -1 3 392.507 3.981 20 0 GHADHM C[C@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)Cc1ccc(Cl)cc1 ZINC000824385075 608235848 /nfs/dbraw/zinc/23/58/48/608235848.db2.gz LDMZGIIOZVPHOH-LBPRGKRZSA-N -1 3 387.846 3.544 20 0 GHADHM C[C@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)Cc1ccc(Cl)cc1 ZINC000824385075 608235850 /nfs/dbraw/zinc/23/58/50/608235850.db2.gz LDMZGIIOZVPHOH-LBPRGKRZSA-N -1 3 387.846 3.544 20 0 GHADHM C[C@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)Cc1ccc(Cl)cc1 ZINC000824384967 608240340 /nfs/dbraw/zinc/24/03/40/608240340.db2.gz IUCQWZLBIDXOQY-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)Cc1ccc(Cl)cc1 ZINC000824384967 608240341 /nfs/dbraw/zinc/24/03/41/608240341.db2.gz IUCQWZLBIDXOQY-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825194394 608259964 /nfs/dbraw/zinc/25/99/64/608259964.db2.gz QILGCDGXRRMOQY-CZUORRHYSA-N -1 3 393.451 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825194394 608259966 /nfs/dbraw/zinc/25/99/66/608259966.db2.gz QILGCDGXRRMOQY-CZUORRHYSA-N -1 3 393.451 3.849 20 0 GHADHM Cc1sc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c(-c2nnn[n-]2)c1C ZINC000826350129 608265027 /nfs/dbraw/zinc/26/50/27/608265027.db2.gz JODUUIJHUQDMDF-OAHLLOKOSA-N -1 3 383.477 3.691 20 0 GHADHM Cc1sc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c(-c2nn[n-]n2)c1C ZINC000826350129 608265030 /nfs/dbraw/zinc/26/50/30/608265030.db2.gz JODUUIJHUQDMDF-OAHLLOKOSA-N -1 3 383.477 3.691 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826452544 608266168 /nfs/dbraw/zinc/26/61/68/608266168.db2.gz XNONWGUVIIFDKZ-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826452544 608266169 /nfs/dbraw/zinc/26/61/69/608266169.db2.gz XNONWGUVIIFDKZ-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C[C@@H]1C ZINC000824948353 608268968 /nfs/dbraw/zinc/26/89/68/608268968.db2.gz UNLYPTTWQBQHRR-KGLIPLIRSA-N -1 3 393.451 3.564 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(COCc3ccccc3)cc2)n1 ZINC000826276469 608274663 /nfs/dbraw/zinc/27/46/63/608274663.db2.gz ICJITTDKOXEKPM-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(COCc3ccccc3)cc2)n1 ZINC000826276469 608274665 /nfs/dbraw/zinc/27/46/65/608274665.db2.gz ICJITTDKOXEKPM-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM COC[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000826150466 608283330 /nfs/dbraw/zinc/28/33/30/608283330.db2.gz FFVFCOVNMGYECW-INIZCTEOSA-N -1 3 395.360 3.502 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826352747 608296563 /nfs/dbraw/zinc/29/65/63/608296563.db2.gz MRIMSJNPHNRLBQ-KBPBESRZSA-N -1 3 398.898 3.711 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826352747 608296565 /nfs/dbraw/zinc/29/65/65/608296565.db2.gz MRIMSJNPHNRLBQ-KBPBESRZSA-N -1 3 398.898 3.711 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826268471 608298200 /nfs/dbraw/zinc/29/82/00/608298200.db2.gz YQAQZQXAOKNVIF-GJZGRUSLSA-N -1 3 396.470 3.505 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826268471 608298202 /nfs/dbraw/zinc/29/82/02/608298202.db2.gz YQAQZQXAOKNVIF-GJZGRUSLSA-N -1 3 396.470 3.505 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)on1 ZINC000824341974 608304652 /nfs/dbraw/zinc/30/46/52/608304652.db2.gz GLTDHJOKSUFGPO-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)on1 ZINC000824341974 608304655 /nfs/dbraw/zinc/30/46/55/608304655.db2.gz GLTDHJOKSUFGPO-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928115 608309025 /nfs/dbraw/zinc/30/90/25/608309025.db2.gz REIINTXYYBFKPC-APWZRJJASA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928115 608309027 /nfs/dbraw/zinc/30/90/27/608309027.db2.gz REIINTXYYBFKPC-APWZRJJASA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824929456 608309283 /nfs/dbraw/zinc/30/92/83/608309283.db2.gz XPIMEXPIGZLGLO-LPHOPBHVSA-N -1 3 397.523 3.912 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824929456 608309284 /nfs/dbraw/zinc/30/92/84/608309284.db2.gz XPIMEXPIGZLGLO-LPHOPBHVSA-N -1 3 397.523 3.912 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928116 608309312 /nfs/dbraw/zinc/30/93/12/608309312.db2.gz REIINTXYYBFKPC-LPHOPBHVSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928116 608309314 /nfs/dbraw/zinc/30/93/14/608309314.db2.gz REIINTXYYBFKPC-LPHOPBHVSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)C1 ZINC000824928812 608310381 /nfs/dbraw/zinc/31/03/81/608310381.db2.gz UVHZZLHDEUMWFG-IAGOWNOFSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)C1 ZINC000824928812 608310383 /nfs/dbraw/zinc/31/03/83/608310383.db2.gz UVHZZLHDEUMWFG-IAGOWNOFSA-N -1 3 385.512 3.985 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000824450753 608314672 /nfs/dbraw/zinc/31/46/72/608314672.db2.gz ZGGFDSLIXUNKJI-LBPRGKRZSA-N -1 3 385.418 3.629 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000824450753 608314674 /nfs/dbraw/zinc/31/46/74/608314674.db2.gz ZGGFDSLIXUNKJI-LBPRGKRZSA-N -1 3 385.418 3.629 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN2C[C@H](C)[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826332188 608314799 /nfs/dbraw/zinc/31/47/99/608314799.db2.gz MEMPCCFDDMBJEY-YCRPNKLZSA-N -1 3 385.475 3.554 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(F)cc2OCC(F)F)cccc1-c1nnn[n-]1 ZINC000826241838 608338807 /nfs/dbraw/zinc/33/88/07/608338807.db2.gz QWAWNORZAJRGDG-UHFFFAOYSA-N -1 3 392.341 3.602 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(F)cc2OCC(F)F)cccc1-c1nn[n-]n1 ZINC000826241838 608338809 /nfs/dbraw/zinc/33/88/09/608338809.db2.gz QWAWNORZAJRGDG-UHFFFAOYSA-N -1 3 392.341 3.602 20 0 GHADHM CCN(C(=O)CCOc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371735 608343495 /nfs/dbraw/zinc/34/34/95/608343495.db2.gz JJGATQVJNMBWNS-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM CCN(C(=O)CCOc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371735 608343496 /nfs/dbraw/zinc/34/34/96/608343496.db2.gz JJGATQVJNMBWNS-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363327 608344210 /nfs/dbraw/zinc/34/42/10/608344210.db2.gz YCZGWBLOUQAZSE-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825363327 608344213 /nfs/dbraw/zinc/34/42/13/608344213.db2.gz YCZGWBLOUQAZSE-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1Cc2ccccc2C1 ZINC000826440970 608359184 /nfs/dbraw/zinc/35/91/84/608359184.db2.gz HMFIBFLUECXWHJ-UHFFFAOYSA-N -1 3 396.454 3.759 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1Cc2ccccc2C1 ZINC000826440970 608359185 /nfs/dbraw/zinc/35/91/85/608359185.db2.gz HMFIBFLUECXWHJ-UHFFFAOYSA-N -1 3 396.454 3.759 20 0 GHADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCCC1 ZINC000824491599 608413242 /nfs/dbraw/zinc/41/32/42/608413242.db2.gz VPFRYKBXWNCQBY-HNNXBMFYSA-N -1 3 380.496 3.634 20 0 GHADHM C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCCC1 ZINC000824491599 608413243 /nfs/dbraw/zinc/41/32/43/608413243.db2.gz VPFRYKBXWNCQBY-HNNXBMFYSA-N -1 3 380.496 3.634 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826408055 608445213 /nfs/dbraw/zinc/44/52/13/608445213.db2.gz NUARKGCZXUHHRU-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826408055 608445215 /nfs/dbraw/zinc/44/52/15/608445215.db2.gz NUARKGCZXUHHRU-UHFFFAOYSA-N -1 3 391.406 3.677 20 0 GHADHM c1oc(-c2ccccc2)nc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823868329 608461015 /nfs/dbraw/zinc/46/10/15/608461015.db2.gz WFWFSDXBMNVGSH-UHFFFAOYSA-N -1 3 384.443 3.811 20 0 GHADHM O=C(Nc1scnc1C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826461285 608474600 /nfs/dbraw/zinc/47/46/00/608474600.db2.gz NRENDNVAHTWJKZ-UHFFFAOYSA-N -1 3 393.476 3.522 20 0 GHADHM O=C(Nc1scnc1C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826461285 608474603 /nfs/dbraw/zinc/47/46/03/608474603.db2.gz NRENDNVAHTWJKZ-UHFFFAOYSA-N -1 3 393.476 3.522 20 0 GHADHM C[C@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506378 608475155 /nfs/dbraw/zinc/47/51/55/608475155.db2.gz NXGUXNZLSIACHE-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506378 608475156 /nfs/dbraw/zinc/47/51/56/608475156.db2.gz NXGUXNZLSIACHE-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NOC1CCCC1 ZINC000826271668 608477956 /nfs/dbraw/zinc/47/79/56/608477956.db2.gz BMIUHZNEUFQJQS-UHFFFAOYSA-N -1 3 394.435 3.963 20 0 GHADHM CC(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(C(F)(F)F)c1 ZINC000824000202 608478862 /nfs/dbraw/zinc/47/88/62/608478862.db2.gz ZDJRNESNDAXEJE-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(C(F)(F)F)c1 ZINC000824000202 608478863 /nfs/dbraw/zinc/47/88/63/608478863.db2.gz ZDJRNESNDAXEJE-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825044680 608481024 /nfs/dbraw/zinc/48/10/24/608481024.db2.gz SDOUYBJZVFDNPJ-UHFFFAOYSA-N -1 3 382.443 3.536 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825044680 608481026 /nfs/dbraw/zinc/48/10/26/608481026.db2.gz SDOUYBJZVFDNPJ-UHFFFAOYSA-N -1 3 382.443 3.536 20 0 GHADHM CSc1ccsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826231676 608481955 /nfs/dbraw/zinc/48/19/55/608481955.db2.gz VLEHHNVSEFMWSS-UHFFFAOYSA-N -1 3 383.502 3.580 20 0 GHADHM CSc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826231676 608481957 /nfs/dbraw/zinc/48/19/57/608481957.db2.gz VLEHHNVSEFMWSS-UHFFFAOYSA-N -1 3 383.502 3.580 20 0 GHADHM O=C(C1C2CC3CC(C2)CC1C3)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397935 608483801 /nfs/dbraw/zinc/48/38/01/608483801.db2.gz MZCFHGXDJQAIFO-UHFFFAOYSA-N -1 3 389.503 3.555 20 0 GHADHM O=C(C1C2CC3CC(C2)CC1C3)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397935 608483803 /nfs/dbraw/zinc/48/38/03/608483803.db2.gz MZCFHGXDJQAIFO-UHFFFAOYSA-N -1 3 389.503 3.555 20 0 GHADHM Cc1cc(Cl)cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826267651 608484816 /nfs/dbraw/zinc/48/48/16/608484816.db2.gz OSJQSXOTWKZMSM-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1cc(Cl)cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826267651 608484819 /nfs/dbraw/zinc/48/48/19/608484819.db2.gz OSJQSXOTWKZMSM-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cn1c(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc2ccc(Cl)cc21 ZINC000826355381 608520086 /nfs/dbraw/zinc/52/00/86/608520086.db2.gz XCYVLLPKKNRDHZ-UHFFFAOYSA-N -1 3 393.882 3.571 20 0 GHADHM Cn1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc2ccc(Cl)cc21 ZINC000826355381 608520088 /nfs/dbraw/zinc/52/00/88/608520088.db2.gz XCYVLLPKKNRDHZ-UHFFFAOYSA-N -1 3 393.882 3.571 20 0 GHADHM Fc1cccc(N2CCCC2)c1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826377404 608520166 /nfs/dbraw/zinc/52/01/66/608520166.db2.gz QPXDONSCDUEPDT-UHFFFAOYSA-N -1 3 392.482 3.771 20 0 GHADHM Clc1nc2ccccc2cc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826353921 608532832 /nfs/dbraw/zinc/53/28/32/608532832.db2.gz JHQQYXDVHSPFED-UHFFFAOYSA-N -1 3 376.851 3.847 20 0 GHADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1F ZINC000825139348 608535277 /nfs/dbraw/zinc/53/52/77/608535277.db2.gz FCPLULZZXJSBJK-OAHLLOKOSA-N -1 3 395.360 3.987 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(CC(F)(F)F)c1ccccc1 ZINC000826472393 608576326 /nfs/dbraw/zinc/57/63/26/608576326.db2.gz JKLIQYUCXVXOIT-UHFFFAOYSA-N -1 3 381.745 3.729 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(CC(F)(F)F)c1ccccc1 ZINC000826472393 608576328 /nfs/dbraw/zinc/57/63/28/608576328.db2.gz JKLIQYUCXVXOIT-UHFFFAOYSA-N -1 3 381.745 3.729 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114790 608582276 /nfs/dbraw/zinc/58/22/76/608582276.db2.gz QBUIXMBLDWKZPU-OAHLLOKOSA-N -1 3 395.511 3.956 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114790 608582277 /nfs/dbraw/zinc/58/22/77/608582277.db2.gz QBUIXMBLDWKZPU-OAHLLOKOSA-N -1 3 395.511 3.956 20 0 GHADHM CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371756 608582802 /nfs/dbraw/zinc/58/28/02/608582802.db2.gz KFWXVKBKOKPDNV-HNNXBMFYSA-N -1 3 388.475 3.890 20 0 GHADHM CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371756 608582803 /nfs/dbraw/zinc/58/28/03/608582803.db2.gz KFWXVKBKOKPDNV-HNNXBMFYSA-N -1 3 388.475 3.890 20 0 GHADHM Brc1ccn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000823831838 608668579 /nfs/dbraw/zinc/66/85/79/608668579.db2.gz FHWWNGDEFAELAS-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Brc1ccn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000823831838 608668583 /nfs/dbraw/zinc/66/85/83/608668583.db2.gz FHWWNGDEFAELAS-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NS(=O)(=O)CCC1CC1 ZINC000826272012 608885801 /nfs/dbraw/zinc/88/58/01/608885801.db2.gz RAUPUZXVMFDYQP-UHFFFAOYSA-N -1 3 399.476 3.509 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NS(=O)(=O)CCC1CC1 ZINC000826272012 608885804 /nfs/dbraw/zinc/88/58/04/608885804.db2.gz RAUPUZXVMFDYQP-UHFFFAOYSA-N -1 3 399.476 3.509 20 0 GHADHM C[C@H](NCc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611793 609136859 /nfs/dbraw/zinc/13/68/59/609136859.db2.gz FCLGYGRRDNUZDY-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824611793 609136861 /nfs/dbraw/zinc/13/68/61/609136861.db2.gz FCLGYGRRDNUZDY-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2cccc(Cl)c2n1 ZINC000826420800 609139835 /nfs/dbraw/zinc/13/98/35/609139835.db2.gz CWOQEAAKCHABII-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2cccc(Cl)c2n1 ZINC000826420800 609139837 /nfs/dbraw/zinc/13/98/37/609139837.db2.gz CWOQEAAKCHABII-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825782807 609152380 /nfs/dbraw/zinc/15/23/80/609152380.db2.gz QHHDWYKTWPDFAK-STQMWFEESA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825782807 609152381 /nfs/dbraw/zinc/15/23/81/609152381.db2.gz QHHDWYKTWPDFAK-STQMWFEESA-N -1 3 379.443 3.787 20 0 GHADHM CC(Cl)(Cl)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824466530 609171641 /nfs/dbraw/zinc/17/16/41/609171641.db2.gz XTYMDSZIEAFFRD-UHFFFAOYSA-N -1 3 392.246 3.578 20 0 GHADHM CC(Cl)(Cl)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824466530 609171644 /nfs/dbraw/zinc/17/16/44/609171644.db2.gz XTYMDSZIEAFFRD-UHFFFAOYSA-N -1 3 392.246 3.578 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825341643 609219627 /nfs/dbraw/zinc/21/96/27/609219627.db2.gz GRIMZEBBXHOJAH-INIZCTEOSA-N -1 3 382.468 3.501 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825341643 609219629 /nfs/dbraw/zinc/21/96/29/609219629.db2.gz GRIMZEBBXHOJAH-INIZCTEOSA-N -1 3 382.468 3.501 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826277409 609232822 /nfs/dbraw/zinc/23/28/22/609232822.db2.gz SXBBMCWIVWUFRU-LBPRGKRZSA-N -1 3 383.839 3.676 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826277409 609232823 /nfs/dbraw/zinc/23/28/23/609232823.db2.gz SXBBMCWIVWUFRU-LBPRGKRZSA-N -1 3 383.839 3.676 20 0 GHADHM Clc1cc2c(cc1N[C@@H]1CCCc3cc(-c4nnn[n-]4)ccc31)OCCO2 ZINC000826351768 609255262 /nfs/dbraw/zinc/25/52/62/609255262.db2.gz ZLYPXMPMDFPGDI-OAHLLOKOSA-N -1 3 383.839 3.781 20 0 GHADHM Clc1cc2c(cc1N[C@@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCO2 ZINC000826351768 609255264 /nfs/dbraw/zinc/25/52/64/609255264.db2.gz ZLYPXMPMDFPGDI-OAHLLOKOSA-N -1 3 383.839 3.781 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826253648 609257938 /nfs/dbraw/zinc/25/79/38/609257938.db2.gz XYUQWUXRWUFIEW-CYBMUJFWSA-N -1 3 398.850 3.781 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826253648 609257939 /nfs/dbraw/zinc/25/79/39/609257939.db2.gz XYUQWUXRWUFIEW-CYBMUJFWSA-N -1 3 398.850 3.781 20 0 GHADHM COCc1c(Br)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826164432 609277176 /nfs/dbraw/zinc/27/71/76/609277176.db2.gz ZXDKRFXNSVOQGR-LLVKDONJSA-N -1 3 388.269 3.949 20 0 GHADHM COCc1c(Br)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826164432 609277178 /nfs/dbraw/zinc/27/71/78/609277178.db2.gz ZXDKRFXNSVOQGR-LLVKDONJSA-N -1 3 388.269 3.949 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000826473074 609291030 /nfs/dbraw/zinc/29/10/30/609291030.db2.gz JOEXDWNZZPGOET-OAHLLOKOSA-N -1 3 385.830 3.507 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000826473074 609291032 /nfs/dbraw/zinc/29/10/32/609291032.db2.gz JOEXDWNZZPGOET-OAHLLOKOSA-N -1 3 385.830 3.507 20 0 GHADHM CC(C)[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000824201190 609295816 /nfs/dbraw/zinc/29/58/16/609295816.db2.gz YHILIYZFHHYPOW-MRXNPFEDSA-N -1 3 395.854 3.524 20 0 GHADHM CC(C)[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000824201190 609295819 /nfs/dbraw/zinc/29/58/19/609295819.db2.gz YHILIYZFHHYPOW-MRXNPFEDSA-N -1 3 395.854 3.524 20 0 GHADHM Cc1cc(Br)ccc1CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826256377 609308027 /nfs/dbraw/zinc/30/80/27/609308027.db2.gz GMPQAYMYSSAOMJ-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM Cc1cc(Br)ccc1CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826256377 609308028 /nfs/dbraw/zinc/30/80/28/609308028.db2.gz GMPQAYMYSSAOMJ-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM Cc1csc(N(C)C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826320909 609315267 /nfs/dbraw/zinc/31/52/67/609315267.db2.gz JLWVDDOQDQMGSX-UHFFFAOYSA-N -1 3 392.444 3.701 20 0 GHADHM Cc1csc(N(C)C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826320909 609315269 /nfs/dbraw/zinc/31/52/69/609315269.db2.gz JLWVDDOQDQMGSX-UHFFFAOYSA-N -1 3 392.444 3.701 20 0 GHADHM CC(C)(C)c1ncc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)s1 ZINC000824142009 609319707 /nfs/dbraw/zinc/31/97/07/609319707.db2.gz QVJVSMSCNPCGIL-UHFFFAOYSA-N -1 3 398.471 3.558 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824936566 609321521 /nfs/dbraw/zinc/32/15/21/609321521.db2.gz JKONGZZGNPQEPR-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824936566 609321523 /nfs/dbraw/zinc/32/15/23/609321523.db2.gz JKONGZZGNPQEPR-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM Fc1cccc2c1OCCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826377684 609324761 /nfs/dbraw/zinc/32/47/61/609324761.db2.gz BGCKBQKUNQVEHK-LBPRGKRZSA-N -1 3 394.332 3.745 20 0 GHADHM Fc1cccc2c1OCCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826377684 609324762 /nfs/dbraw/zinc/32/47/62/609324762.db2.gz BGCKBQKUNQVEHK-LBPRGKRZSA-N -1 3 394.332 3.745 20 0 GHADHM C[C@H](NCc1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626116 609326704 /nfs/dbraw/zinc/32/67/04/609326704.db2.gz LYWKYOCCVJUBPK-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM Cc1ncsc1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826331678 609329727 /nfs/dbraw/zinc/32/97/27/609329727.db2.gz SYARITAEGIQASB-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncsc1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826331678 609329729 /nfs/dbraw/zinc/32/97/29/609329729.db2.gz SYARITAEGIQASB-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658019 609347128 /nfs/dbraw/zinc/34/71/28/609347128.db2.gz UHNMYAZBDTVTJI-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658019 609347130 /nfs/dbraw/zinc/34/71/30/609347130.db2.gz UHNMYAZBDTVTJI-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM CC[C@](C)(NCc1ccc(-c2nnn[n-]2)cc1Br)c1nccs1 ZINC000825044311 609366352 /nfs/dbraw/zinc/36/63/52/609366352.db2.gz OBJDIANUMNEQJA-HNNXBMFYSA-N -1 3 393.314 3.501 20 0 GHADHM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)cc1Br)c1nccs1 ZINC000825044311 609366355 /nfs/dbraw/zinc/36/63/55/609366355.db2.gz OBJDIANUMNEQJA-HNNXBMFYSA-N -1 3 393.314 3.501 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182432 609370587 /nfs/dbraw/zinc/37/05/87/609370587.db2.gz JAPFCSCYRDCKSK-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182432 609370590 /nfs/dbraw/zinc/37/05/90/609370590.db2.gz JAPFCSCYRDCKSK-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@H]1F ZINC000824956961 609398849 /nfs/dbraw/zinc/39/88/49/609398849.db2.gz UWYAMYGIQTWWSO-CZUORRHYSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@H]1F ZINC000824956961 609398850 /nfs/dbraw/zinc/39/88/50/609398850.db2.gz UWYAMYGIQTWWSO-CZUORRHYSA-N -1 3 397.479 3.838 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000824019945 609420854 /nfs/dbraw/zinc/42/08/54/609420854.db2.gz VYZNMJRIFOEGGL-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000824019945 609420856 /nfs/dbraw/zinc/42/08/56/609420856.db2.gz VYZNMJRIFOEGGL-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM CCc1csc([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)C2)n1 ZINC000825739958 609425476 /nfs/dbraw/zinc/42/54/76/609425476.db2.gz LRHHAULDPNVGIF-ZDUSSCGKSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)C2)n1 ZINC000825739958 609425478 /nfs/dbraw/zinc/42/54/78/609425478.db2.gz LRHHAULDPNVGIF-ZDUSSCGKSA-N -1 3 391.504 3.818 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824249901 609449746 /nfs/dbraw/zinc/44/97/46/609449746.db2.gz WONKCEKCCPWYMX-SNVBAGLBSA-N -1 3 387.431 3.528 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824249901 609449747 /nfs/dbraw/zinc/44/97/47/609449747.db2.gz WONKCEKCCPWYMX-SNVBAGLBSA-N -1 3 387.431 3.528 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824507203 609454873 /nfs/dbraw/zinc/45/48/73/609454873.db2.gz VJNCAAPGDAUUNV-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824507203 609454876 /nfs/dbraw/zinc/45/48/76/609454876.db2.gz VJNCAAPGDAUUNV-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM CCOc1cccc2cc([C@H](C)Nc3nc4ccccn4c3-c3nnn[n-]3)oc21 ZINC000825654333 609457096 /nfs/dbraw/zinc/45/70/96/609457096.db2.gz XLWCSIBWNIEKNB-LBPRGKRZSA-N -1 3 389.419 3.832 20 0 GHADHM CCOc1cccc2cc([C@H](C)Nc3nc4ccccn4c3-c3nn[n-]n3)oc21 ZINC000825654333 609457098 /nfs/dbraw/zinc/45/70/98/609457098.db2.gz XLWCSIBWNIEKNB-LBPRGKRZSA-N -1 3 389.419 3.832 20 0 GHADHM Brc1ccc(COc2cccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000823826029 609477519 /nfs/dbraw/zinc/47/75/19/609477519.db2.gz AJZOCSAEUQBUTF-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1ccc(COc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000823826029 609477521 /nfs/dbraw/zinc/47/75/21/609477521.db2.gz AJZOCSAEUQBUTF-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000826278534 609479299 /nfs/dbraw/zinc/47/92/99/609479299.db2.gz HWWZRGHVWGJEDS-UHFFFAOYSA-N -1 3 387.369 3.693 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000826278534 609479301 /nfs/dbraw/zinc/47/93/01/609479301.db2.gz HWWZRGHVWGJEDS-UHFFFAOYSA-N -1 3 387.369 3.693 20 0 GHADHM Fc1cc(NC2CCSCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372919 609484239 /nfs/dbraw/zinc/48/42/39/609484239.db2.gz RNKINDBRWCOQCL-UHFFFAOYSA-N -1 3 385.468 3.892 20 0 GHADHM Fc1cc(NC2CCSCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372919 609484241 /nfs/dbraw/zinc/48/42/41/609484241.db2.gz RNKINDBRWCOQCL-UHFFFAOYSA-N -1 3 385.468 3.892 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000825553688 609490657 /nfs/dbraw/zinc/49/06/57/609490657.db2.gz UPMQUKVHGVNKAH-UHFFFAOYSA-N -1 3 378.845 3.762 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000825553688 609490659 /nfs/dbraw/zinc/49/06/59/609490659.db2.gz UPMQUKVHGVNKAH-UHFFFAOYSA-N -1 3 378.845 3.762 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1C1CCCC1 ZINC000825348749 609507164 /nfs/dbraw/zinc/50/71/64/609507164.db2.gz ZCYUZOCWJBSQDQ-UHFFFAOYSA-N -1 3 379.468 3.692 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1C1CCCC1 ZINC000825348749 609507166 /nfs/dbraw/zinc/50/71/66/609507166.db2.gz ZCYUZOCWJBSQDQ-UHFFFAOYSA-N -1 3 379.468 3.692 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(Br)c1Cl ZINC000826461393 609509991 /nfs/dbraw/zinc/50/99/91/609509991.db2.gz SDMRNYYFGBVDNB-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(Br)c1Cl ZINC000826461393 609509992 /nfs/dbraw/zinc/50/99/92/609509992.db2.gz SDMRNYYFGBVDNB-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826511977 609511664 /nfs/dbraw/zinc/51/16/64/609511664.db2.gz KTSKHOZYTJPENO-DBTPVHCXSA-N -1 3 376.489 3.741 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826511977 609511665 /nfs/dbraw/zinc/51/16/65/609511665.db2.gz KTSKHOZYTJPENO-DBTPVHCXSA-N -1 3 376.489 3.741 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000826240354 609531050 /nfs/dbraw/zinc/53/10/50/609531050.db2.gz ONMLTJHOZWAPHD-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000826240354 609531053 /nfs/dbraw/zinc/53/10/53/609531053.db2.gz ONMLTJHOZWAPHD-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000826368161 609579933 /nfs/dbraw/zinc/57/99/33/609579933.db2.gz DYKPAGJSMUUGEU-QIAWRQBBSA-N -1 3 386.381 3.963 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000826368161 609579934 /nfs/dbraw/zinc/57/99/34/609579934.db2.gz DYKPAGJSMUUGEU-QIAWRQBBSA-N -1 3 386.381 3.963 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000826368162 609580270 /nfs/dbraw/zinc/58/02/70/609580270.db2.gz DYKPAGJSMUUGEU-VFNNOXKTSA-N -1 3 386.381 3.963 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000826368162 609580271 /nfs/dbraw/zinc/58/02/71/609580271.db2.gz DYKPAGJSMUUGEU-VFNNOXKTSA-N -1 3 386.381 3.963 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000826246504 609601727 /nfs/dbraw/zinc/60/17/27/609601727.db2.gz FQIYSWAFXVFNIK-GFCCVEGCSA-N -1 3 389.381 3.555 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000826246504 609601728 /nfs/dbraw/zinc/60/17/28/609601728.db2.gz FQIYSWAFXVFNIK-GFCCVEGCSA-N -1 3 389.381 3.555 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826373227 609608412 /nfs/dbraw/zinc/60/84/12/609608412.db2.gz FCVMHQGIFKHMHU-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826373227 609608414 /nfs/dbraw/zinc/60/84/14/609608414.db2.gz FCVMHQGIFKHMHU-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826428569 609609862 /nfs/dbraw/zinc/60/98/62/609609862.db2.gz FTGBOHQQBPHZFK-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826428569 609609863 /nfs/dbraw/zinc/60/98/63/609609863.db2.gz FTGBOHQQBPHZFK-UHFFFAOYSA-N -1 3 389.459 3.508 20 0 GHADHM O=C(/C=C\SCc1ccco1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826400386 609613504 /nfs/dbraw/zinc/61/35/04/609613504.db2.gz YAISYJKEQNJROE-ALCCZGGFSA-N -1 3 376.825 3.603 20 0 GHADHM O=C(/C=C\SCc1ccco1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826400386 609613505 /nfs/dbraw/zinc/61/35/05/609613505.db2.gz YAISYJKEQNJROE-ALCCZGGFSA-N -1 3 376.825 3.603 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000824712846 609629453 /nfs/dbraw/zinc/62/94/53/609629453.db2.gz DIPSFDNIQLCBKE-VFZGTOFNSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000824712846 609629454 /nfs/dbraw/zinc/62/94/54/609629454.db2.gz DIPSFDNIQLCBKE-VFZGTOFNSA-N -1 3 393.230 3.511 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cscc2Cl)cc1 ZINC000636439636 837517168 /nfs/dbraw/zinc/51/71/68/837517168.db2.gz RUPXTGYDBHUEMZ-UHFFFAOYSA-N -1 3 388.898 3.569 20 0 GHADHM O=S(=O)(CCC1Cc2ccccc2C1)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000655676613 837590625 /nfs/dbraw/zinc/59/06/25/837590625.db2.gz AWTVVTKGBOTFQD-NRFANRHFSA-N -1 3 396.512 3.683 20 0 GHADHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1C(F)(F)F ZINC000636318772 837676337 /nfs/dbraw/zinc/67/63/37/837676337.db2.gz BVNVAXRZDKUDNW-NSHDSACASA-N -1 3 379.382 3.888 20 0 GHADHM CC[C@@H](CNc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000458544160 834435259 /nfs/dbraw/zinc/43/52/59/834435259.db2.gz DMMNMUVPEMVZFT-AWEZNQCLSA-N -1 3 392.297 3.845 20 0 GHADHM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579729268 834467536 /nfs/dbraw/zinc/46/75/36/834467536.db2.gz KICHSZNDKDWGAC-UHFFFAOYSA-N -1 3 398.438 3.970 20 0 GHADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000583522318 834565462 /nfs/dbraw/zinc/56/54/62/834565462.db2.gz AKWAJMDRYYUEFM-UHFFFAOYSA-N -1 3 393.415 3.738 20 0 GHADHM C[C@@H]1CN(CCC2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])CC2)C[C@H](C)O1 ZINC000156915276 834643694 /nfs/dbraw/zinc/64/36/94/834643694.db2.gz KBSPZUPVZFQISQ-OKILXGFUSA-N -1 3 398.906 3.536 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000024226127 834731595 /nfs/dbraw/zinc/73/15/95/834731595.db2.gz IHFCSMDJZYOMOW-UHFFFAOYSA-N -1 3 390.686 3.590 20 0 GHADHM CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2CCOC)cc(Cl)c1[O-] ZINC000644897767 834808798 /nfs/dbraw/zinc/80/87/98/834808798.db2.gz QNAURDNMTDKKSN-GOSISDBHSA-N -1 3 376.840 3.657 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000511262720 834895659 /nfs/dbraw/zinc/89/56/59/834895659.db2.gz VLYXBSPYDNVYTQ-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(OC(F)F)c1)c1cccc(Br)c1 ZINC000683173181 834912715 /nfs/dbraw/zinc/91/27/15/834912715.db2.gz FZNWVTNWPBVEEF-AWEZNQCLSA-N -1 3 386.192 3.966 20 0 GHADHM 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390.487 3.630 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000659798600 838680626 /nfs/dbraw/zinc/68/06/26/838680626.db2.gz KBUZXXHVYIGGGD-IAQYHMDHSA-N -1 3 375.494 3.716 20 0 GHADHM Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c(C)n1 ZINC000182591075 838754158 /nfs/dbraw/zinc/75/41/58/838754158.db2.gz FTMKYYDFSUNZML-OAQYLSRUSA-N -1 3 389.455 3.904 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(Cl)c1C ZINC000843635725 838862460 /nfs/dbraw/zinc/86/24/60/838862460.db2.gz BJPCEXFKMFSVPX-UHFFFAOYSA-N -1 3 396.871 3.789 20 0 GHADHM C[C@@H](CC(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc(F)c(Br)c1 ZINC000893205264 838873394 /nfs/dbraw/zinc/87/33/94/838873394.db2.gz SGMRDVFUCMILBN-JTQLQIEISA-N -1 3 394.244 3.557 20 0 GHADHM Cc1nc(SC2CCCC2)sc1CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205974 838875292 /nfs/dbraw/zinc/87/52/92/838875292.db2.gz SMXAHWCZDCCBNW-UHFFFAOYSA-N -1 3 390.534 3.504 20 0 GHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H]1CC1(C)C 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389.446 3.820 20 0 GHADHM CC[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000580202027 839046331 /nfs/dbraw/zinc/04/63/31/839046331.db2.gz OAJUDODJPYKUBJ-SFGWALBWSA-N -1 3 394.515 3.905 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000580265877 839147021 /nfs/dbraw/zinc/14/70/21/839147021.db2.gz OEQHEIDDZRTIFX-UHFFFAOYSA-N -1 3 394.493 3.631 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccc(OC)cc4C4(CC4)C3)nc2)n1 ZINC000377328121 839312244 /nfs/dbraw/zinc/31/22/44/839312244.db2.gz ALSMUXOKAUJSTG-UHFFFAOYSA-N -1 3 388.471 3.867 20 0 GHADHM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1c(F)cccc1OC(F)(F)F ZINC000416551191 839417572 /nfs/dbraw/zinc/41/75/72/839417572.db2.gz AMIBXXFTSXFXDZ-UHFFFAOYSA-N -1 3 391.333 3.827 20 0 GHADHM COCCCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccccc1 ZINC000684596899 844436342 /nfs/dbraw/zinc/43/63/42/844436342.db2.gz HULOLXXDSJKJOL-GOSISDBHSA-N -1 3 399.459 3.810 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC(C)C ZINC000018078276 839466519 /nfs/dbraw/zinc/46/65/19/839466519.db2.gz VSOJXTIJRXGISA-UHFFFAOYSA-N -1 3 378.469 3.711 20 0 GHADHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000416587259 839469603 /nfs/dbraw/zinc/46/96/03/839469603.db2.gz HXPLKYCWGRPBJD-YMTOWFKASA-N -1 3 396.734 3.584 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)cc2)n1 ZINC000432888693 844492292 /nfs/dbraw/zinc/49/22/92/844492292.db2.gz DTQOCNPXTZNZDT-YJYMSZOUSA-N -1 3 395.484 3.695 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3F)c2)n1 ZINC000500329828 840147105 /nfs/dbraw/zinc/14/71/05/840147105.db2.gz HLHJGLUMXPXWQE-CYBMUJFWSA-N -1 3 381.407 3.957 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(Cl)c1F ZINC000186346651 840390255 /nfs/dbraw/zinc/39/02/55/840390255.db2.gz AMGBQBJTKMCDIG-GFCCVEGCSA-N -1 3 376.815 3.893 20 0 GHADHM CC(C)N(CC1CCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000195133457 840411529 /nfs/dbraw/zinc/41/15/29/840411529.db2.gz JRIZTRRZMHALDL-UHFFFAOYSA-N -1 3 384.517 3.553 20 0 GHADHM C[C@H]1N([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CCC12CCOCC2 ZINC000584637936 840435853 /nfs/dbraw/zinc/43/58/53/840435853.db2.gz GOSYFCIUBVHPBN-IAQYHMDHSA-N -1 3 386.261 3.605 20 0 GHADHM C[C@H]1N([C@H](C(=O)[O-])c2ccc(Br)cc2F)CCC12CCOCC2 ZINC000584637935 840435966 /nfs/dbraw/zinc/43/59/66/840435966.db2.gz GOSYFCIUBVHPBN-ABAIWWIYSA-N -1 3 386.261 3.605 20 0 GHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1Cl ZINC000580944183 840489773 /nfs/dbraw/zinc/48/97/73/840489773.db2.gz QMZFSSLSNPEBKI-UHFFFAOYSA-N -1 3 381.725 3.978 20 0 GHADHM CSCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nnc2ccccn21 ZINC000471636529 840576830 /nfs/dbraw/zinc/57/68/30/840576830.db2.gz NONRAYRSWHMXDJ-KRWDZBQOSA-N -1 3 392.484 3.812 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)N3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)cc1F ZINC000581077308 840676747 /nfs/dbraw/zinc/67/67/47/840676747.db2.gz KTAMQRYCOUXSEK-QRQCRPRQSA-N -1 3 395.434 3.973 20 0 GHADHM COc1cc(C(=O)Nc2cc(I)ccc2[O-])ccc1C ZINC000610485539 840843497 /nfs/dbraw/zinc/84/34/97/840843497.db2.gz JPUTZBCRRZMIMR-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OC)c([O-])c1Br ZINC000545499339 840885148 /nfs/dbraw/zinc/88/51/48/840885148.db2.gz AAMIDKNSYDZQPI-MRXNPFEDSA-N -1 3 397.313 3.707 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC001211737102 844590307 /nfs/dbraw/zinc/59/03/07/844590307.db2.gz QDQXTTKYEKKPNV-OCCSQVGLSA-N -1 3 385.407 3.727 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC001211737101 844590528 /nfs/dbraw/zinc/59/05/28/844590528.db2.gz QDQXTTKYEKKPNV-JSGCOSHPSA-N -1 3 385.407 3.727 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)cc3C)c2)[n-]1 ZINC000432914548 844591174 /nfs/dbraw/zinc/59/11/74/844591174.db2.gz IPJLURFZQBREGL-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)cc3C)c2)n[n-]1 ZINC000432914548 844591185 /nfs/dbraw/zinc/59/11/85/844591185.db2.gz IPJLURFZQBREGL-UHFFFAOYSA-N -1 3 393.447 3.587 20 0 GHADHM CC(C)(C)c1n[nH]cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000549521815 841000983 /nfs/dbraw/zinc/00/09/83/841000983.db2.gz FROMURSANOHDLD-UHFFFAOYSA-N -1 3 398.488 3.760 20 0 GHADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000549521815 841000993 /nfs/dbraw/zinc/00/09/93/841000993.db2.gz FROMURSANOHDLD-UHFFFAOYSA-N -1 3 398.488 3.760 20 0 GHADHM COCCOCc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000417572941 841010150 /nfs/dbraw/zinc/01/01/50/841010150.db2.gz PQTZJYSHCRBFGL-IBGZPJMESA-N -1 3 377.868 3.727 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000026847156 841019484 /nfs/dbraw/zinc/01/94/84/841019484.db2.gz PFRXNAQTIMIQCL-UHFFFAOYSA-N -1 3 382.707 3.580 20 0 GHADHM O=C([O-])C[C@H](CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(F)(F)F ZINC000417630785 841069349 /nfs/dbraw/zinc/06/93/49/841069349.db2.gz RKZGQSDEIVKQDM-OCCSQVGLSA-N -1 3 395.805 3.641 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417629310 841069560 /nfs/dbraw/zinc/06/95/60/841069560.db2.gz WXEAQUSDMCRTRV-IFMALSPDSA-N -1 3 375.472 3.951 20 0 GHADHM CCc1ccc(CN2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)s1 ZINC001167454346 841076394 /nfs/dbraw/zinc/07/63/94/841076394.db2.gz UEFAAAAMWIWNAU-UHFFFAOYSA-N -1 3 398.528 3.749 20 0 GHADHM CC(C)(C)c1nc(CNC[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])cs1 ZINC000417636632 841087352 /nfs/dbraw/zinc/08/73/52/841087352.db2.gz LYQVUWFJCFNLAP-NSHDSACASA-N -1 3 386.439 3.891 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000651621568 841157261 /nfs/dbraw/zinc/15/72/61/841157261.db2.gz VMXXCYFDZOHAPC-WDEREUQCSA-N -1 3 396.372 3.691 20 0 GHADHM CC(F)(F)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000189387397 841194623 /nfs/dbraw/zinc/19/46/23/841194623.db2.gz SQCKZDFQRDOFGB-UHFFFAOYSA-N -1 3 398.406 3.630 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1F ZINC000313207533 841225891 /nfs/dbraw/zinc/22/58/91/841225891.db2.gz CLRJYVBWRPTEAM-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1F ZINC000473082146 841274770 /nfs/dbraw/zinc/27/47/70/841274770.db2.gz UXBAMVKLOXLCHP-LBPRGKRZSA-N -1 3 392.390 3.517 20 0 GHADHM CC[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430597237 841351996 /nfs/dbraw/zinc/35/19/96/841351996.db2.gz ZIMWXFOBJLIEIT-VIFPVBQESA-N -1 3 383.673 3.816 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430601850 841375492 /nfs/dbraw/zinc/37/54/92/841375492.db2.gz VCJOCFAWHVKTQF-DTWKUNHWSA-N -1 3 383.673 3.815 20 0 GHADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000510426929 841413260 /nfs/dbraw/zinc/41/32/60/841413260.db2.gz DXKGJUKIKSZUMR-UHFFFAOYSA-N -1 3 394.320 3.702 20 0 GHADHM O=C([O-])C[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000656565127 841416481 /nfs/dbraw/zinc/41/64/81/841416481.db2.gz FCGUSLZYXJVFLX-RTBURBONSA-N -1 3 375.852 3.813 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)c2)n1 ZINC000049301860 841498932 /nfs/dbraw/zinc/49/89/32/841498932.db2.gz YJOZLNXURLOREE-OAHLLOKOSA-N -1 3 377.444 3.714 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c1Cl ZINC000500152537 841526022 /nfs/dbraw/zinc/52/60/22/841526022.db2.gz XGUCDIBQKQQLFK-UHFFFAOYSA-N -1 3 387.288 3.609 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1)C1CCCC1 ZINC000656619348 841581331 /nfs/dbraw/zinc/58/13/31/841581331.db2.gz REOGUAFRDZZJCH-HNNXBMFYSA-N -1 3 381.416 3.575 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2nccc(C)n2)c1)C1CCCCC1 ZINC000656624008 841595432 /nfs/dbraw/zinc/59/54/32/841595432.db2.gz XRZHHMIWMYUSCJ-LJQANCHMSA-N -1 3 389.521 3.789 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Sc2ccccc2)c1)[C@@H]1CCOC1 ZINC000656623710 841596671 /nfs/dbraw/zinc/59/66/71/841596671.db2.gz VNEYCPRWYMDVKE-BEFAXECRSA-N -1 3 393.530 3.631 20 0 GHADHM Cc1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sn1 ZINC000184115422 841604574 /nfs/dbraw/zinc/60/45/74/841604574.db2.gz LSEDTGLMAQBLEP-KRWDZBQOSA-N -1 3 381.457 3.657 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c(C)c1 ZINC000581529790 841610621 /nfs/dbraw/zinc/61/06/21/841610621.db2.gz ZSADXONXZMHUMH-DJJJIMSYSA-N -1 3 388.489 3.566 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000656628534 841610781 /nfs/dbraw/zinc/61/07/81/841610781.db2.gz NXDNTOQIKIQTPG-LBPRGKRZSA-N -1 3 392.452 3.689 20 0 GHADHM Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sn1 ZINC000184115442 841619796 /nfs/dbraw/zinc/61/97/96/841619796.db2.gz LSEDTGLMAQBLEP-QGZVFWFLSA-N -1 3 381.457 3.657 20 0 GHADHM CCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000025343085 841780879 /nfs/dbraw/zinc/78/08/79/841780879.db2.gz ALLNTGPLKCPPIP-UHFFFAOYSA-N -1 3 378.469 3.937 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(Br)c1 ZINC000656769057 841906762 /nfs/dbraw/zinc/90/67/62/841906762.db2.gz OYMZNCDYIQKBLS-RDJZCZTQSA-N -1 3 382.298 3.928 20 0 GHADHM Cc1noc(C[C@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)c2ccccc2)n1 ZINC000759927128 841983636 /nfs/dbraw/zinc/98/36/36/841983636.db2.gz DQFUJFVAHVQGPW-INIZCTEOSA-N -1 3 375.350 3.709 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000471699811 842190104 /nfs/dbraw/zinc/19/01/04/842190104.db2.gz CTNKDSZJMKAIRG-UHFFFAOYSA-N -1 3 376.434 3.969 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C2CC2)CC1 ZINC000184285112 842329948 /nfs/dbraw/zinc/32/99/48/842329948.db2.gz UCUDKHJFEGTWCQ-HXUWFJFHSA-N -1 3 378.472 3.560 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2C)cc1 ZINC000008294916 842363717 /nfs/dbraw/zinc/36/37/17/842363717.db2.gz SOHPYCFUVQAXOI-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1)C(F)(F)F ZINC001211677549 842373378 /nfs/dbraw/zinc/37/33/78/842373378.db2.gz JXYLAHQVWJMTDN-XHDPSFHLSA-N -1 3 393.406 3.575 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cccc(Cl)c1F ZINC000511912872 842386349 /nfs/dbraw/zinc/38/63/49/842386349.db2.gz XGFNKVMIWDTBFZ-GFCCVEGCSA-N -1 3 376.236 3.935 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1F ZINC000135297152 842416603 /nfs/dbraw/zinc/41/66/03/842416603.db2.gz MZZALZZJAJXPGA-UHFFFAOYSA-N -1 3 392.452 3.906 20 0 GHADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000188364817 842520217 /nfs/dbraw/zinc/52/02/17/842520217.db2.gz FVZLHKUZNMBHCQ-UHFFFAOYSA-N -1 3 396.921 3.990 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432453840 842548504 /nfs/dbraw/zinc/54/85/04/842548504.db2.gz KMLRVTZCPDHHNJ-QGZVFWFLSA-N -1 3 378.519 3.595 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1C ZINC000135332144 842559267 /nfs/dbraw/zinc/55/92/67/842559267.db2.gz STFOMUWZISUAAM-UHFFFAOYSA-N -1 3 375.490 3.910 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC(F)(F)CC3)nc(=O)c2c1C ZINC000599552549 861323074 /nfs/dbraw/zinc/32/30/74/861323074.db2.gz KMNLBFWASZHMPU-NSHDSACASA-N -1 3 399.463 3.652 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2C[C@@H](OC)C[C@H]2CC(=O)[O-])on1 ZINC000652503601 842634743 /nfs/dbraw/zinc/63/47/43/842634743.db2.gz XCAQFESELPOQLB-HOTGVXAUSA-N -1 3 396.443 3.567 20 0 GHADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(OCCc2ccccc2)c1 ZINC000581973691 842867681 /nfs/dbraw/zinc/86/76/81/842867681.db2.gz ZDLBKEJTEMHISN-FQEVSTJZSA-N -1 3 375.490 3.619 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1C(C)C ZINC000663252507 842906785 /nfs/dbraw/zinc/90/67/85/842906785.db2.gz BTYTZBRMTYDQHT-UHFFFAOYSA-N -1 3 394.468 3.638 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663261010 842942932 /nfs/dbraw/zinc/94/29/32/842942932.db2.gz GVXPPVXCFRHYIL-ZDUSSCGKSA-N -1 3 389.805 3.967 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000510558044 842961971 /nfs/dbraw/zinc/96/19/71/842961971.db2.gz ICRXXKKSCZZRNR-UHFFFAOYSA-N -1 3 381.725 3.980 20 0 GHADHM CC(C)(C)CN(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000662229685 842969883 /nfs/dbraw/zinc/96/98/83/842969883.db2.gz XCZRSCVPWRJLIX-UHFFFAOYSA-N -1 3 380.794 3.730 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccccc2C)c1 ZINC000185330098 843005231 /nfs/dbraw/zinc/00/52/31/843005231.db2.gz UNUFEIQTYOQMQT-AWEZNQCLSA-N -1 3 393.443 3.610 20 0 GHADHM COc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000663298392 843038294 /nfs/dbraw/zinc/03/82/94/843038294.db2.gz MRVGAMUDZIKBJI-UHFFFAOYSA-N -1 3 378.469 3.621 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc(OC)c1[O-] ZINC000161582118 843108773 /nfs/dbraw/zinc/10/87/73/843108773.db2.gz OFNQPBFGMYBUQF-ZDUSSCGKSA-N -1 3 382.416 3.570 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000051467849 843190528 /nfs/dbraw/zinc/19/05/28/843190528.db2.gz GKWKLDJAVSNVIQ-UTKZUKDTSA-N -1 3 382.460 3.591 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)sc1Br ZINC000510685740 843193757 /nfs/dbraw/zinc/19/37/57/843193757.db2.gz VECFNTZUOCYSJD-UHFFFAOYSA-N -1 3 393.328 3.637 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[N-]C(=O)c1ccccc1F ZINC000024389484 843211106 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GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@](C)(CC)C3)nc(=O)c2c1C ZINC000468129448 843422683 /nfs/dbraw/zinc/42/26/83/843422683.db2.gz BSPBONDAHQIFHH-BUXKBTBVSA-N -1 3 377.510 3.653 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000094106306 843439929 /nfs/dbraw/zinc/43/99/29/843439929.db2.gz HFDQLILYRKDJCY-UHFFFAOYSA-N -1 3 376.412 3.667 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000471917994 843498579 /nfs/dbraw/zinc/49/85/79/843498579.db2.gz JADOJKMJNAXAAX-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)[n-]1 ZINC000617876646 843549101 /nfs/dbraw/zinc/54/91/01/843549101.db2.gz YPFQHYDAUHZSMW-LBPRGKRZSA-N -1 3 394.269 3.556 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)c[n-]1 ZINC000617876646 843549112 /nfs/dbraw/zinc/54/91/12/843549112.db2.gz YPFQHYDAUHZSMW-LBPRGKRZSA-N -1 3 394.269 3.556 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(F)c(Br)c1 ZINC000731052652 861436720 /nfs/dbraw/zinc/43/67/20/861436720.db2.gz DVKXHGCNICSRNW-MRVPVSSYSA-N -1 3 382.185 3.514 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000432762382 843746756 /nfs/dbraw/zinc/74/67/56/843746756.db2.gz GBXJCNRWLBJKMA-UHFFFAOYSA-N -1 3 398.513 3.930 20 0 GHADHM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1C ZINC000432767419 843758265 /nfs/dbraw/zinc/75/82/65/843758265.db2.gz TVVKIAISWAPAGN-UHFFFAOYSA-N -1 3 390.505 3.596 20 0 GHADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000276924677 843787709 /nfs/dbraw/zinc/78/77/09/843787709.db2.gz WVUQOCCHQYSRFQ-INIZCTEOSA-N -1 3 397.456 3.551 20 0 GHADHM CCc1cc(=O)[n-]c(CSCc2cc(OC)c(OC)cc2Br)n1 ZINC000532168927 881340429 /nfs/dbraw/zinc/34/04/29/881340429.db2.gz DBHVTRHYTQWBLM-UHFFFAOYSA-N -1 3 399.310 3.958 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cccc(Cl)c1Br ZINC000429909169 843921697 /nfs/dbraw/zinc/92/16/97/843921697.db2.gz JEYYVEDIBYGQPT-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1Cl ZINC000500788090 844010178 /nfs/dbraw/zinc/01/01/78/844010178.db2.gz QAEKCTSIBRAZDZ-UHFFFAOYSA-N -1 3 375.881 3.751 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000729263825 844817311 /nfs/dbraw/zinc/81/73/11/844817311.db2.gz KKSRYVJJTCOSGR-UHFFFAOYSA-N -1 3 396.365 3.594 20 0 GHADHM CSc1nc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n[n-]1 ZINC000729353130 844874916 /nfs/dbraw/zinc/87/49/16/844874916.db2.gz ZQSFEHSJULCCOA-ZDUSSCGKSA-N -1 3 391.497 3.511 20 0 GHADHM CCn1nc(CN[C@H](CSCc2cccc(OC)c2)C(=O)[O-])c2ccccc21 ZINC000277157297 844878384 /nfs/dbraw/zinc/87/83/84/844878384.db2.gz CZTMNHPEGHOBMV-LJQANCHMSA-N -1 3 399.516 3.541 20 0 GHADHM CC(C)(C)OC1CC(CCNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000433042507 845046238 /nfs/dbraw/zinc/04/62/38/845046238.db2.gz ACZYGCWQCIRVGK-UHFFFAOYSA-N -1 3 399.329 3.938 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccnc1 ZINC000433735002 845246401 /nfs/dbraw/zinc/24/64/01/845246401.db2.gz HEMJXLHJMHIOPI-CQSZACIVSA-N -1 3 390.402 3.958 20 0 GHADHM O=c1nc(CN(CC(F)(F)F)[C@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000411425665 845444420 /nfs/dbraw/zinc/44/44/20/845444420.db2.gz OKZPDILEOSMLFA-JTQLQIEISA-N -1 3 399.394 3.810 20 0 GHADHM CC(C)C[C@@H](CO)N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411561363 845583573 /nfs/dbraw/zinc/58/35/73/845583573.db2.gz ZMCHWVGFTWTPOM-HNNXBMFYSA-N -1 3 389.496 3.630 20 0 GHADHM CC(C)c1noc([C@@H](C)Sc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)n1 ZINC000657283144 845648428 /nfs/dbraw/zinc/64/84/28/845648428.db2.gz AEWJRDAQBUGEDL-GFCCVEGCSA-N -1 3 396.476 3.940 20 0 GHADHM O=c1[n-]c(SCCCC2CCOCC2)nc2c1cnn2Cc1ccccc1 ZINC000657284652 845674311 /nfs/dbraw/zinc/67/43/11/845674311.db2.gz RQVNOQUYYXLEDP-UHFFFAOYSA-N -1 3 384.505 3.879 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255450679 845689034 /nfs/dbraw/zinc/68/90/34/845689034.db2.gz KZJQRPRPGFYVOG-ATVHPVEESA-N -1 3 377.444 3.703 20 0 GHADHM Cn1cc(Oc2ccccc2C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000513599001 845714287 /nfs/dbraw/zinc/71/42/87/845714287.db2.gz DGYKNIQVOIYWJJ-UHFFFAOYSA-N -1 3 388.221 3.933 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cn(CCC(C)C)nn2)s1)c1ccccc1 ZINC000131695803 861598411 /nfs/dbraw/zinc/59/84/11/861598411.db2.gz BYSXVEHSDJZQME-HNNXBMFYSA-N -1 3 384.509 3.970 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000472098779 845843070 /nfs/dbraw/zinc/84/30/70/845843070.db2.gz WYQGXSYJNLRLBZ-FQEVSTJZSA-N -1 3 377.440 3.792 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000472131256 846043271 /nfs/dbraw/zinc/04/32/71/846043271.db2.gz WRLQETVRMCWROK-UKRRQHHQSA-N -1 3 379.382 3.942 20 0 GHADHM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1cccc(Br)c1[O-] ZINC000731521435 861676414 /nfs/dbraw/zinc/67/64/14/861676414.db2.gz UVFPFKWVFOIVGQ-OAHLLOKOSA-N -1 3 375.218 3.899 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CC12CCCCC2 ZINC000421683968 846463668 /nfs/dbraw/zinc/46/36/68/846463668.db2.gz VTJSSOXNYKMIGL-SECBINFHSA-N -1 3 380.208 3.539 20 0 GHADHM CC[C@@H](CC(F)(F)F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679783 846482332 /nfs/dbraw/zinc/48/23/32/846482332.db2.gz NTDPIGQNHVEPRY-LURJTMIESA-N -1 3 396.129 3.547 20 0 GHADHM CC[C@H]1CCCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681645 846484288 /nfs/dbraw/zinc/48/42/88/846484288.db2.gz YOVJQOWISWAEBY-VHSXEESVSA-N -1 3 382.224 3.785 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3ccc(F)cc3F)[n-]c(=O)c21 ZINC000502839414 846509298 /nfs/dbraw/zinc/50/92/98/846509298.db2.gz FUCJVVGRCBMXCA-VIFPVBQESA-N -1 3 391.399 3.957 20 0 GHADHM CCCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1cccc(F)c1 ZINC000502860862 846567679 /nfs/dbraw/zinc/56/76/79/846567679.db2.gz JEWQLLVCJABSEK-UHFFFAOYSA-N -1 3 382.374 3.627 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000667901095 861700299 /nfs/dbraw/zinc/70/02/99/861700299.db2.gz DXZNZSRCSUIDEJ-UHFFFAOYSA-N -1 3 388.464 3.744 20 0 GHADHM CCC(CC)(NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000502938909 846653683 /nfs/dbraw/zinc/65/36/83/846653683.db2.gz BSUGABZGJWLKLD-UHFFFAOYSA-N -1 3 395.912 3.552 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000843610705 846701660 /nfs/dbraw/zinc/70/16/60/846701660.db2.gz ZDGSMKYOAQUGSV-UHFFFAOYSA-N -1 3 376.644 3.666 20 0 GHADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000501353771 846864604 /nfs/dbraw/zinc/86/46/04/846864604.db2.gz LFJUKCXCKBSNAY-LBPRGKRZSA-N -1 3 397.272 3.878 20 0 GHADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)cc1F ZINC000501380309 846881585 /nfs/dbraw/zinc/88/15/85/846881585.db2.gz DLIOSRYCMMXBDF-AULYBMBSSA-N -1 3 387.835 3.851 20 0 GHADHM CCCc1cnc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)s1 ZINC000272050172 846979114 /nfs/dbraw/zinc/97/91/14/846979114.db2.gz TYMHKTFCGOMTPX-UHFFFAOYSA-N -1 3 383.477 3.533 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc([C@H](C)CC)c3)CC2)n[n-]1 ZINC000599826750 861753517 /nfs/dbraw/zinc/75/35/17/861753517.db2.gz WNJNSLJLWZFVHN-CQSZACIVSA-N -1 3 399.495 3.906 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc([C@H](C)CC)c3)CC2)[n-]1 ZINC000599826750 861753527 /nfs/dbraw/zinc/75/35/27/861753527.db2.gz WNJNSLJLWZFVHN-CQSZACIVSA-N -1 3 399.495 3.906 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000272799597 847176402 /nfs/dbraw/zinc/17/64/02/847176402.db2.gz AKNGNESFRFTSMS-YJLNNSPDSA-N -1 3 380.492 3.522 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(=O)OC)cc3c2)c(C)c1 ZINC000501790149 847186602 /nfs/dbraw/zinc/18/66/02/847186602.db2.gz CKTSLMXYJZPJEN-UHFFFAOYSA-N -1 3 389.429 3.727 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)c(C)c1 ZINC000501807824 847190431 /nfs/dbraw/zinc/19/04/31/847190431.db2.gz MHAOSUBUSLHGJZ-UHFFFAOYSA-N -1 3 385.489 3.997 20 0 GHADHM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000684870428 847236792 /nfs/dbraw/zinc/23/67/92/847236792.db2.gz ADCURHLHLBXZRQ-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM CON1CCC(c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CC1 ZINC000420508671 847238662 /nfs/dbraw/zinc/23/86/62/847238662.db2.gz GZJMICYOOWSYKJ-UHFFFAOYSA-N -1 3 381.432 3.762 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000273281993 847292249 /nfs/dbraw/zinc/29/22/49/847292249.db2.gz ITNGNTQLNVSRJM-LLVKDONJSA-N -1 3 397.456 3.762 20 0 GHADHM COc1ccccc1[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)N1CCCC1 ZINC000502085033 847471816 /nfs/dbraw/zinc/47/18/16/847471816.db2.gz QKLDSDTUIVTFNF-GOSISDBHSA-N -1 3 380.517 3.885 20 0 GHADHM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000673809576 861816227 /nfs/dbraw/zinc/81/62/27/861816227.db2.gz WATKERNZVCCTGS-UHFFFAOYSA-N -1 3 376.368 3.768 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1cccc(C(F)F)c1)Cc1ccc([O-])c(F)c1 ZINC000421056737 847650883 /nfs/dbraw/zinc/65/08/83/847650883.db2.gz UBKRDSQTVAPGRJ-CYBMUJFWSA-N -1 3 396.365 3.622 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1 ZINC000421148033 847812014 /nfs/dbraw/zinc/81/20/14/847812014.db2.gz GLDISYVQMAGLDB-LJQANCHMSA-N -1 3 386.473 3.649 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000115956113 847927322 /nfs/dbraw/zinc/92/73/22/847927322.db2.gz KMBTUGKNBPAJJO-OAQYLSRUSA-N -1 3 390.487 3.586 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccco1 ZINC000503794592 847947237 /nfs/dbraw/zinc/94/72/37/847947237.db2.gz QZAUUMDMJWJOLX-JTQLQIEISA-N -1 3 394.276 3.651 20 0 GHADHM O=C(Nc1cccc(SC(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000171213702 861852773 /nfs/dbraw/zinc/85/27/73/861852773.db2.gz NRCDRSKGPXFLIS-HNNXBMFYSA-N -1 3 392.427 3.950 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)no1 ZINC000179989237 861888440 /nfs/dbraw/zinc/88/84/40/861888440.db2.gz PPNZNPKCGRKZQP-OAHLLOKOSA-N -1 3 398.271 3.753 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)c1F ZINC000180016100 861905340 /nfs/dbraw/zinc/90/53/40/861905340.db2.gz QDCNJCHBZCFKBV-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C)nc(C(F)(F)F)n3)s2)cc1 ZINC000187772947 848718041 /nfs/dbraw/zinc/71/80/41/848718041.db2.gz XZYJGTKJJWCOBX-UHFFFAOYSA-N -1 3 393.394 3.807 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([O-])c1 ZINC000153913445 849126670 /nfs/dbraw/zinc/12/66/70/849126670.db2.gz NDKWHDRJHQJOBQ-JTQLQIEISA-N -1 3 386.395 3.896 20 0 GHADHM CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192484536 861988457 /nfs/dbraw/zinc/98/84/57/861988457.db2.gz OALVYULDQMVHHN-MRXNPFEDSA-N -1 3 376.859 3.921 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000458419058 849280040 /nfs/dbraw/zinc/28/00/40/849280040.db2.gz OHKBFLRSWUFAIN-CQSZACIVSA-N -1 3 393.256 3.993 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000535956864 849286881 /nfs/dbraw/zinc/28/68/81/849286881.db2.gz YMOOMUOUUFITHZ-GOEBONIOSA-N -1 3 390.480 3.793 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c[nH]1 ZINC000092262915 849404201 /nfs/dbraw/zinc/40/42/01/849404201.db2.gz CVZFDOUGLGTHCH-GFCCVEGCSA-N -1 3 379.379 3.644 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(N2CCCCC2)c(Cl)c1 ZINC000278182488 849533141 /nfs/dbraw/zinc/53/31/41/849533141.db2.gz PQUFMFFMKSZKBL-LBPRGKRZSA-N -1 3 375.778 3.708 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503990546 849808142 /nfs/dbraw/zinc/80/81/42/849808142.db2.gz OADCQRUIYMBGEA-UHFFFAOYSA-N -1 3 388.708 3.944 20 0 GHADHM O=C(NCc1cccc(OCc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503990970 849808996 /nfs/dbraw/zinc/80/89/96/849808996.db2.gz DJHNHHFCAQCJJD-UHFFFAOYSA-N -1 3 376.391 3.606 20 0 GHADHM CC(C)n1cc(C2=CCCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)nn1 ZINC000514606735 850049659 /nfs/dbraw/zinc/04/96/59/850049659.db2.gz ZZVVKFBJOXDMFT-UHFFFAOYSA-N -1 3 377.448 3.789 20 0 GHADHM COc1cc(OC)cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504508186 850105139 /nfs/dbraw/zinc/10/51/39/850105139.db2.gz SALUQKJIKKAZRF-UHFFFAOYSA-N -1 3 379.185 3.509 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCN(C(C)C)CC3)c2)s1 ZINC000504537117 850111694 /nfs/dbraw/zinc/11/16/94/850111694.db2.gz ZFXWPTPDNJKITN-UHFFFAOYSA-N -1 3 393.578 3.642 20 0 GHADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000509597064 850114885 /nfs/dbraw/zinc/11/48/85/850114885.db2.gz XONDTZKKFHICNX-INIZCTEOSA-N -1 3 382.288 3.840 20 0 GHADHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1F ZINC000424067547 850183496 /nfs/dbraw/zinc/18/34/96/850183496.db2.gz POLXJKWBMRNZMR-UHFFFAOYSA-N -1 3 395.452 3.795 20 0 GHADHM O=S(=O)(CCOCC1CC1)[N-]c1ccccc1COCc1ccccc1 ZINC000424059372 850194619 /nfs/dbraw/zinc/19/46/19/850194619.db2.gz BAPAIMHAEUJVJI-UHFFFAOYSA-N -1 3 375.490 3.572 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(C(=O)OC)[n-]3)n2)cc1 ZINC000426447642 850206209 /nfs/dbraw/zinc/20/62/09/850206209.db2.gz MBDXNVCCEIRLBC-LBPRGKRZSA-N -1 3 382.420 3.546 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccccc1 ZINC000486951164 850276348 /nfs/dbraw/zinc/27/63/48/850276348.db2.gz PCVYDMCDDZEHJC-IBGZPJMESA-N -1 3 398.484 3.596 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)[C@@H]1C[C@H]1C ZINC000514809555 850317796 /nfs/dbraw/zinc/31/77/96/850317796.db2.gz BNLGCBCOLTZLTF-ZUOKHONESA-N -1 3 375.428 3.542 20 0 GHADHM CCC1(CC)CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000664382325 850320937 /nfs/dbraw/zinc/32/09/37/850320937.db2.gz GYEMTFILJFRJJR-UHFFFAOYSA-N -1 3 397.541 3.891 20 0 GHADHM CC1(C)CCC[C@](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)(C(=O)[O-])C1 ZINC000908751485 850329121 /nfs/dbraw/zinc/32/91/21/850329121.db2.gz MLEAWJAZSDMRFJ-XMSQKQJNSA-N -1 3 387.524 3.546 20 0 GHADHM CCc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1F ZINC000504849216 850359449 /nfs/dbraw/zinc/35/94/49/850359449.db2.gz RDDCUCWABAGHHH-UHFFFAOYSA-N -1 3 394.468 3.556 20 0 GHADHM CC(C)C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000424389801 850427375 /nfs/dbraw/zinc/42/73/75/850427375.db2.gz LTMPXEHWCYUYSV-IAGOWNOFSA-N -1 3 395.569 3.567 20 0 GHADHM CC(C)C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000424389803 850427441 /nfs/dbraw/zinc/42/74/41/850427441.db2.gz LTMPXEHWCYUYSV-SJORKVTESA-N -1 3 395.569 3.567 20 0 GHADHM CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000425368367 850462325 /nfs/dbraw/zinc/46/23/25/850462325.db2.gz WHVTZEOQBZDTPE-GOSISDBHSA-N -1 3 388.895 3.507 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N(CC(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000908901234 850465708 /nfs/dbraw/zinc/46/57/08/850465708.db2.gz NZXZOJDVCMUWHS-HXUWFJFHSA-N -1 3 387.524 3.561 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1c(C)nn(C)c1C ZINC000435425117 850507761 /nfs/dbraw/zinc/50/77/61/850507761.db2.gz BYRMVYUUGLKJGN-ZDUSSCGKSA-N -1 3 394.299 3.912 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(Cl)c3)n2)cc1 ZINC000505039532 850554456 /nfs/dbraw/zinc/55/44/56/850554456.db2.gz PDRAHRBAXPCWCS-GFCCVEGCSA-N -1 3 391.880 3.992 20 0 GHADHM COc1cc(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc(OC)c1[O-] ZINC000487230307 850584355 /nfs/dbraw/zinc/58/43/55/850584355.db2.gz MLCQVOYYXKDZSZ-LLVKDONJSA-N -1 3 384.215 3.580 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Br)c2)c(C)c1 ZINC000487314901 850686293 /nfs/dbraw/zinc/68/62/93/850686293.db2.gz PSJSSGZTRLMICW-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM CCOc1ccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(C)C)cc1OCC ZINC000519176884 850703824 /nfs/dbraw/zinc/70/38/24/850703824.db2.gz MGKHEORLORUHLS-FQEVSTJZSA-N -1 3 399.491 3.984 20 0 GHADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000435632329 850710798 /nfs/dbraw/zinc/71/07/98/850710798.db2.gz NGGYOAVNGFAODO-LDYMZIIASA-N -1 3 397.132 3.597 20 0 GHADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000909722894 850728740 /nfs/dbraw/zinc/72/87/40/850728740.db2.gz DLMSJPITCPBLFH-AEFFLSMTSA-N -1 3 378.900 3.580 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c(C(F)(F)F)n1 ZINC000435678900 850765175 /nfs/dbraw/zinc/76/51/75/850765175.db2.gz TYWLYLIHKWXBMI-UHFFFAOYSA-N -1 3 395.410 3.925 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000519215722 850766649 /nfs/dbraw/zinc/76/66/49/850766649.db2.gz YSFPJBISOHCGGL-UHFFFAOYSA-N -1 3 386.395 3.889 20 0 GHADHM CCOC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)(C)C ZINC000600508307 862173325 /nfs/dbraw/zinc/17/33/25/862173325.db2.gz ASDAJXWRZJHWNB-CQSZACIVSA-N -1 3 386.477 3.591 20 0 GHADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732275956 862171064 /nfs/dbraw/zinc/17/10/64/862171064.db2.gz LJEUESZOLQLIBH-LLVKDONJSA-N -1 3 391.349 3.552 20 0 GHADHM O=C(NC(Cc1ccccc1)Cc1ccccc1)c1nnc2ccccc2c1[O-] ZINC000732278298 862171903 /nfs/dbraw/zinc/17/19/03/862171903.db2.gz HGZNYVKIWMTMIF-UHFFFAOYSA-N -1 3 383.451 3.919 20 0 GHADHM CCOc1ccc(F)c([N-]C(=O)c2cn(-c3ccc(F)cc3C)nn2)c1F ZINC000505351929 850858604 /nfs/dbraw/zinc/85/86/04/850858604.db2.gz VFYBHKWVZUPWQO-UHFFFAOYSA-N -1 3 376.338 3.644 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000435879389 850934005 /nfs/dbraw/zinc/93/40/05/850934005.db2.gz CFOMCLGBVRJMBO-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000435879389 850934012 /nfs/dbraw/zinc/93/40/12/850934012.db2.gz CFOMCLGBVRJMBO-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM COc1cc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)cc(Br)c1[O-] ZINC000426631041 851036528 /nfs/dbraw/zinc/03/65/28/851036528.db2.gz MNPIQKZBYYTRFJ-GTNSWQLSSA-N -1 3 386.286 3.534 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000910256089 851093233 /nfs/dbraw/zinc/09/32/33/851093233.db2.gz RZQOJUWCPWHIRJ-INIZCTEOSA-N -1 3 397.313 3.905 20 0 GHADHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000910278085 851102824 /nfs/dbraw/zinc/10/28/24/851102824.db2.gz HQIHZWPXBGZXGW-UHFFFAOYSA-N -1 3 387.483 4.000 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1C ZINC000519477192 851110963 /nfs/dbraw/zinc/11/09/63/851110963.db2.gz QVPTULPXWTXQBL-UHFFFAOYSA-N -1 3 391.880 3.952 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)cc1F ZINC000440380362 851122169 /nfs/dbraw/zinc/12/21/69/851122169.db2.gz JSWRFMPWHSEAHF-GFCCVEGCSA-N -1 3 394.443 3.661 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(Cc3ccc(F)cc3)c2C)c(F)c1 ZINC000436035610 851131011 /nfs/dbraw/zinc/13/10/11/851131011.db2.gz GERGJVVTMOXOMJ-UHFFFAOYSA-N -1 3 388.349 3.507 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(C)c(F)cc3F)co2)cc1 ZINC000440386816 851131922 /nfs/dbraw/zinc/13/19/22/851131922.db2.gz ZKOJLPHXTZSCOK-UHFFFAOYSA-N -1 3 378.400 3.715 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCN(Cc4ccccc4)[C@H]3C)c12 ZINC000910358688 851148722 /nfs/dbraw/zinc/14/87/22/851148722.db2.gz YPBCQWPYSKSWCH-BBRMVZONSA-N -1 3 396.516 3.503 20 0 GHADHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(C)c(F)cc3F)o2)cs1 ZINC000440398606 851157624 /nfs/dbraw/zinc/15/76/24/851157624.db2.gz LTTXPKKBHPBSHQ-UHFFFAOYSA-N -1 3 384.429 3.777 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000436110959 851238105 /nfs/dbraw/zinc/23/81/05/851238105.db2.gz YFGLCTWPFIZYIE-LJQANCHMSA-N -1 3 383.407 3.754 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccn(-c3ccccc3F)n2)[n-]c1-c1ccccc1 ZINC000187836058 851270589 /nfs/dbraw/zinc/27/05/89/851270589.db2.gz PQDRREULOJMRBM-UHFFFAOYSA-N -1 3 396.447 3.684 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ccn(-c3ccccc3F)n2)nc1-c1ccccc1 ZINC000187836058 851270598 /nfs/dbraw/zinc/27/05/98/851270598.db2.gz PQDRREULOJMRBM-UHFFFAOYSA-N -1 3 396.447 3.684 20 0 GHADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000510003173 851556570 /nfs/dbraw/zinc/55/65/70/851556570.db2.gz RVFQNAVQNJHMFC-LBPRGKRZSA-N -1 3 384.851 3.510 20 0 GHADHM Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000911104681 851574525 /nfs/dbraw/zinc/57/45/25/851574525.db2.gz ZXELXZAYJTUOMF-GOSISDBHSA-N -1 3 386.517 3.958 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c(=O)[n-]1 ZINC000101528634 851637595 /nfs/dbraw/zinc/63/75/95/851637595.db2.gz STNZYTDROCZFQQ-AWEZNQCLSA-N -1 3 377.444 3.599 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000911247569 851643444 /nfs/dbraw/zinc/64/34/44/851643444.db2.gz KFYMMBOKKLVHDW-NRFANRHFSA-N -1 3 380.488 3.896 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)Oc3ccc(F)cc3)c2)n1 ZINC000049304291 851648007 /nfs/dbraw/zinc/64/80/07/851648007.db2.gz VEAVBONDDZUGRL-UHFFFAOYSA-N -1 3 395.434 3.935 20 0 GHADHM CN(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccn1 ZINC000488600770 851653917 /nfs/dbraw/zinc/65/39/17/851653917.db2.gz WALBBADMLMLFSA-UHFFFAOYSA-N -1 3 379.791 3.621 20 0 GHADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000604513436 862268264 /nfs/dbraw/zinc/26/82/64/862268264.db2.gz IPJQOGLHOXFAMM-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1cc(C(=O)[O-])oc1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000911271938 851656327 /nfs/dbraw/zinc/65/63/27/851656327.db2.gz SLQNRGIHYIZJML-UHFFFAOYSA-N -1 3 398.381 3.509 20 0 GHADHM CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)N1CCc2sccc2C1 ZINC000550143357 851733907 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NC(=O)CCOc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436524581 852013715 /nfs/dbraw/zinc/01/37/15/852013715.db2.gz AJVHCWJWFQEKEI-UHFFFAOYSA-N -1 3 392.411 3.691 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2occc21)c1cccc(OC(F)(F)F)c1F ZINC000489117398 852035323 /nfs/dbraw/zinc/03/53/23/852035323.db2.gz PAWZQQKFMFOHPM-SNVBAGLBSA-N -1 3 379.331 3.673 20 0 GHADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436550003 852036907 /nfs/dbraw/zinc/03/69/07/852036907.db2.gz HKRYVKQHWYETRF-UHFFFAOYSA-N -1 3 387.501 3.847 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1[O-] ZINC000436558098 852062392 /nfs/dbraw/zinc/06/23/92/852062392.db2.gz ZYMHCUDXFCYBJW-UHFFFAOYSA-N -1 3 379.441 3.961 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436570395 852073347 /nfs/dbraw/zinc/07/33/47/852073347.db2.gz PVZJIESZDPFYGH-UHFFFAOYSA-N -1 3 396.487 3.564 20 0 GHADHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436583935 852091714 /nfs/dbraw/zinc/09/17/14/852091714.db2.gz IAXKBTANLJEBTG-BATDWUPUSA-N -1 3 385.529 3.793 20 0 GHADHM CCc1n[nH]c(=O)c(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1CC ZINC000436586474 852094728 /nfs/dbraw/zinc/09/47/28/852094728.db2.gz MFKOEZDJBPNNRF-UHFFFAOYSA-N -1 3 391.471 3.533 20 0 GHADHM C[S@@](=O)C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436586634 852094904 /nfs/dbraw/zinc/09/49/04/852094904.db2.gz BZCQLPQVZRNHFH-LYZGTLIUSA-N -1 3 393.508 3.833 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000436604472 852104031 /nfs/dbraw/zinc/10/40/31/852104031.db2.gz JLINGNJYVZEOQV-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM COc1cccc([C@H](NC(=O)c2ccc(O)cc2[O-])c2cc(F)ccc2OC)c1 ZINC000436627888 852121025 /nfs/dbraw/zinc/12/10/25/852121025.db2.gz VQHDTBCFSJRUSS-NRFANRHFSA-N -1 3 397.402 3.774 20 0 GHADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000516076642 852122972 /nfs/dbraw/zinc/12/29/72/852122972.db2.gz PIYSVRXIPPSQAO-CTNGQTDRSA-N -1 3 382.460 3.576 20 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852184143 /nfs/dbraw/zinc/18/41/43/852184143.db2.gz BDBIJPWTWMSWJR-ZDUSSCGKSA-N -1 3 382.460 3.886 20 0 GHADHM CCCCC[C@@H]1CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000489271129 852192183 /nfs/dbraw/zinc/19/21/83/852192183.db2.gz PUQMOMSXRUSJGF-GOSISDBHSA-N -1 3 382.508 3.644 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436690383 852200495 /nfs/dbraw/zinc/20/04/95/852200495.db2.gz QBFWJAIGQRPPRN-HNAYVOBHSA-N -1 3 398.528 3.986 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccccc3C(F)(F)F)no2)c([O-])c1 ZINC000436692826 852203906 /nfs/dbraw/zinc/20/39/06/852203906.db2.gz YHGIMXNMTZLTEY-UHFFFAOYSA-N -1 3 391.349 3.742 20 0 GHADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])c(I)c1 ZINC000436715746 852238441 /nfs/dbraw/zinc/23/84/41/852238441.db2.gz QKKNBVFFFUDTBE-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436722135 852246552 /nfs/dbraw/zinc/24/65/52/852246552.db2.gz NESZWXSBABXILB-WOJBJXKFSA-N -1 3 392.499 3.926 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3Oc3ccncc3)nc21 ZINC000509179193 862335820 /nfs/dbraw/zinc/33/58/20/862335820.db2.gz OMCRSUGIMXHSRX-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM CCc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000436723634 852250826 /nfs/dbraw/zinc/25/08/26/852250826.db2.gz VGEPLNYSQIOTKB-UHFFFAOYSA-N -1 3 376.338 3.806 20 0 GHADHM COC(=O)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C(C)C ZINC000436746793 852286047 /nfs/dbraw/zinc/28/60/47/852286047.db2.gz HZYNWRVLTYWFNR-RXVVDRJESA-N -1 3 381.472 3.643 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000426728372 852321309 /nfs/dbraw/zinc/32/13/09/852321309.db2.gz UKTYYFOMTVWEOI-NRFANRHFSA-N -1 3 397.450 3.775 20 0 GHADHM Cc1ccc(N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC000113192021 852331396 /nfs/dbraw/zinc/33/13/96/852331396.db2.gz UTXLXRVPMIPKNG-UHFFFAOYSA-N -1 3 396.878 3.698 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000436784371 852337608 /nfs/dbraw/zinc/33/76/08/852337608.db2.gz XDEPZXAGZWDWET-BUXKBTBVSA-N -1 3 380.448 3.744 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000436788397 852344357 /nfs/dbraw/zinc/34/43/57/852344357.db2.gz YOHFTRFNNQMLNZ-ISKFKSNPSA-N -1 3 377.484 3.961 20 0 GHADHM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436798884 852355845 /nfs/dbraw/zinc/35/58/45/852355845.db2.gz NEKTZHQEWMXVSA-VQTJNVASSA-N -1 3 394.515 3.796 20 0 GHADHM COCCN(Cc1cncs1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436808009 852366953 /nfs/dbraw/zinc/36/69/53/852366953.db2.gz JZAJCIOYBGEYPW-UHFFFAOYSA-N -1 3 396.512 3.923 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000426762406 852372107 /nfs/dbraw/zinc/37/21/07/852372107.db2.gz KANGUYTYUMAGIR-CQSZACIVSA-N -1 3 385.295 3.943 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000436828957 852377574 /nfs/dbraw/zinc/37/75/74/852377574.db2.gz KNILGZPZXWTPNG-LEWJYISDSA-N -1 3 392.499 3.924 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c([O-])c1 ZINC000436832131 852380195 /nfs/dbraw/zinc/38/01/95/852380195.db2.gz ZAWKURZSIALXIC-CQSZACIVSA-N -1 3 395.463 3.551 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000426774537 852380327 /nfs/dbraw/zinc/38/03/27/852380327.db2.gz PCSYCUJARXCFJD-RTWAWAEBSA-N -1 3 385.460 3.559 20 0 GHADHM COc1ccccc1[C@@H](NCc1ccc(-n2cnc3ccccc32)cc1)C(=O)[O-] ZINC000426783081 852388733 /nfs/dbraw/zinc/38/87/33/852388733.db2.gz JFHKTGNBOMLKNC-JOCHJYFZSA-N -1 3 387.439 3.950 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000436843688 852409061 /nfs/dbraw/zinc/40/90/61/852409061.db2.gz JVLXIYUTDBWHPD-CQSZACIVSA-N -1 3 380.366 3.662 20 0 GHADHM O=C([O-])[C@H](NCc1cc(Br)c(Cl)s1)c1ccc(O)cc1 ZINC000426803126 852413448 /nfs/dbraw/zinc/41/34/48/852413448.db2.gz KOCKTAJEUILKPB-LLVKDONJSA-N -1 3 376.659 3.785 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c([O-])c1 ZINC000436868262 852431626 /nfs/dbraw/zinc/43/16/26/852431626.db2.gz HZLLUWHHTVEIAH-UHFFFAOYSA-N -1 3 381.881 3.503 20 0 GHADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc(OC)c1 ZINC000426821544 852433057 /nfs/dbraw/zinc/43/30/57/852433057.db2.gz UIJAUVKTAOUTRU-QGZVFWFLSA-N -1 3 394.265 3.772 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1OCc1ccncc1 ZINC000426824126 852435222 /nfs/dbraw/zinc/43/52/22/852435222.db2.gz GPOPAEQPFOXKBM-OAQYLSRUSA-N -1 3 396.418 3.724 20 0 GHADHM O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517798955 852438505 /nfs/dbraw/zinc/43/85/05/852438505.db2.gz VBOVBBAGGJUEAS-NRFANRHFSA-N -1 3 384.435 3.674 20 0 GHADHM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3)ccc21 ZINC000489575205 852448254 /nfs/dbraw/zinc/44/82/54/852448254.db2.gz WYFUAVXQSWURNR-UHFFFAOYSA-N -1 3 381.461 3.604 20 0 GHADHM CCCOc1cccc2c(N3CCN(C(=O)c4ccccc4[O-])CC3)ccnc12 ZINC000436885758 852457631 /nfs/dbraw/zinc/45/76/31/852457631.db2.gz PAOMAIQVTOIHAE-UHFFFAOYSA-N -1 3 391.471 3.692 20 0 GHADHM COc1ccc([C@H](NCc2ccc(Br)cc2C)C(=O)[O-])cc1F ZINC000426835279 852468111 /nfs/dbraw/zinc/46/81/11/852468111.db2.gz QNNZJAOVOOASPE-INIZCTEOSA-N -1 3 382.229 3.821 20 0 GHADHM COc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(OC)c(C)c1OC ZINC000436930727 852489744 /nfs/dbraw/zinc/48/97/44/852489744.db2.gz YDYLEKMWPDMESW-UHFFFAOYSA-N -1 3 387.432 3.692 20 0 GHADHM CCCN(CC1CC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436915109 852492907 /nfs/dbraw/zinc/49/29/07/852492907.db2.gz OWUZMPMPNDJIBB-NRFANRHFSA-N -1 3 380.488 3.902 20 0 GHADHM CC(C)c1ccc(-c2nc(-c3cccc(OCC(=O)NC4CC4)c3)no2)c([O-])c1 ZINC000436917320 852495640 /nfs/dbraw/zinc/49/56/40/852495640.db2.gz DBBXAHGFUWAKMH-UHFFFAOYSA-N -1 3 393.443 3.890 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccnn1[C@H](C)CC(C)C)c2=O ZINC000426892746 852496495 /nfs/dbraw/zinc/49/64/95/852496495.db2.gz AJZREOHWRKEQMB-GFCCVEGCSA-N -1 3 386.427 3.732 20 0 GHADHM CCCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)sc1C ZINC000436946121 852527567 /nfs/dbraw/zinc/52/75/67/852527567.db2.gz OGZFYTYDYZSXTF-UHFFFAOYSA-N -1 3 386.517 3.749 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000436962175 852532552 /nfs/dbraw/zinc/53/25/52/852532552.db2.gz IYCQBVXHBAJIQI-PXAZEXFGSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)oc21 ZINC000507066018 852533166 /nfs/dbraw/zinc/53/31/66/852533166.db2.gz AIEVOENEFBYZCP-UHFFFAOYSA-N -1 3 397.232 3.963 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(CC(F)(F)F)c2)c([O-])c1 ZINC000436964097 852535480 /nfs/dbraw/zinc/53/54/80/852535480.db2.gz QYNPIBFEVJTVEH-UHFFFAOYSA-N -1 3 380.366 3.564 20 0 GHADHM Cc1ccc2c(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)csc2c1 ZINC000436967782 852539143 /nfs/dbraw/zinc/53/91/43/852539143.db2.gz YPVJKQGPGFCJNH-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM CCNC(=O)c1cccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436954295 852543534 /nfs/dbraw/zinc/54/35/34/852543534.db2.gz VFPCQAQEMHUIAO-UHFFFAOYSA-N -1 3 390.439 3.864 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cnccc2Oc2ccccc2)c([O-])c1 ZINC000436957548 852548288 /nfs/dbraw/zinc/54/82/88/852548288.db2.gz WNKDYOKWPFDOHF-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM CC[C@H]1CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436989947 852579415 /nfs/dbraw/zinc/57/94/15/852579415.db2.gz PVBGPOHGMNHSPV-XJKSGUPXSA-N -1 3 387.505 3.647 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCCC[C@H]3C)cs2)c1 ZINC000436983516 852592042 /nfs/dbraw/zinc/59/20/42/852592042.db2.gz XBUHCVCGRKNFNL-CQSZACIVSA-N -1 3 387.505 3.743 20 0 GHADHM CN(C)S(=O)(=O)c1ccccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000437000570 852617413 /nfs/dbraw/zinc/61/74/13/852617413.db2.gz UQKWLGGCOBFZCB-UHFFFAOYSA-N -1 3 395.440 3.513 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000506311386 852671296 /nfs/dbraw/zinc/67/12/96/852671296.db2.gz DFXXQLDEQHBRAE-NVXWUHKLSA-N -1 3 387.553 3.650 20 0 GHADHM COc1ccccc1C(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000427111176 852737826 /nfs/dbraw/zinc/73/78/26/852737826.db2.gz QDRPEGRYZGFPFL-UHFFFAOYSA-N -1 3 378.266 3.757 20 0 GHADHM Cc1ccc(NC(=O)c2cscn2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000490187504 852794629 /nfs/dbraw/zinc/79/46/29/852794629.db2.gz MQOVSZWNTSICRR-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1cc(F)cc2n[n-]nc21 ZINC000505995515 852881856 /nfs/dbraw/zinc/88/18/56/852881856.db2.gz IAQJQNMPCHADHP-UHFFFAOYSA-N -1 3 393.403 3.897 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Br)s3)CCC2)n1 ZINC000329907880 862413915 /nfs/dbraw/zinc/41/39/15/862413915.db2.gz LHEKPHNUFUSDST-UHFFFAOYSA-N -1 3 393.353 3.633 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccc(C)o4)n3)nc21 ZINC000157765675 862416930 /nfs/dbraw/zinc/41/69/30/862416930.db2.gz ZQKKCVPERNAVOY-UHFFFAOYSA-N -1 3 382.401 3.627 20 0 GHADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000516818854 853037854 /nfs/dbraw/zinc/03/78/54/853037854.db2.gz FJIDDXQTUZTEPD-NSHDSACASA-N -1 3 393.852 3.863 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)no1 ZINC000516823588 853059118 /nfs/dbraw/zinc/05/91/18/853059118.db2.gz GNFVGMOGZGBXFM-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1C ZINC000516826601 853062694 /nfs/dbraw/zinc/06/26/94/853062694.db2.gz BPSUHLVMVUWBCM-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CC(C)c1ccoc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000426228981 853085480 /nfs/dbraw/zinc/08/54/80/853085480.db2.gz XPHFVMWCCPVRFL-UHFFFAOYSA-N -1 3 391.424 3.700 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc(C)c1F ZINC000437399918 853092837 /nfs/dbraw/zinc/09/28/37/853092837.db2.gz FPHZLWHPPGWQGY-INIZCTEOSA-N -1 3 392.496 3.637 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1OC ZINC000507619749 853115481 /nfs/dbraw/zinc/11/54/81/853115481.db2.gz XCHMKOCJUMXDLO-UHFFFAOYSA-N -1 3 377.796 3.745 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1OCCc2sccc21 ZINC000490614979 853138280 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20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302194 853225184 /nfs/dbraw/zinc/22/51/84/853225184.db2.gz QOGZUZBGJOYODD-CYBMUJFWSA-N -1 3 381.432 3.979 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)c(C)c1 ZINC000519788646 853494374 /nfs/dbraw/zinc/49/43/74/853494374.db2.gz FCEYCBYAYMNFJL-UHFFFAOYSA-N -1 3 380.460 3.993 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)s1 ZINC001212143120 853508392 /nfs/dbraw/zinc/50/83/92/853508392.db2.gz SWQQBJMJYMOLRY-GXTWGEPZSA-N -1 3 386.926 3.810 20 0 GHADHM CCOC(=O)c1sc2[n-]c(Cc3ccc4ccccc4n3)nc(=O)c2c1C ZINC000054752334 853511777 /nfs/dbraw/zinc/51/17/77/853511777.db2.gz SHWKUDAKOUHRMJ-UHFFFAOYSA-N -1 3 379.441 3.609 20 0 GHADHM CC(C)C1(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000176352193 862477682 /nfs/dbraw/zinc/47/76/82/862477682.db2.gz QBILMNJSAMWEHI-UHFFFAOYSA-N -1 3 393.915 3.842 20 0 GHADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000440758907 853577197 /nfs/dbraw/zinc/57/71/97/853577197.db2.gz WSIRMHYJDFZXDB-IBGZPJMESA-N -1 3 397.450 3.830 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1OC ZINC000054984471 853624574 /nfs/dbraw/zinc/62/45/74/853624574.db2.gz GYANXRNCWUBGHP-UHFFFAOYSA-N -1 3 393.534 3.883 20 0 GHADHM COc1ccc(F)cc1-c1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000055006857 853634487 /nfs/dbraw/zinc/63/44/87/853634487.db2.gz GQKQYMWZHGPEPP-OQLLNIDSSA-N -1 3 395.415 3.681 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571104040 853744631 /nfs/dbraw/zinc/74/46/31/853744631.db2.gz MDFOZJKKSXDRRL-SFHVURJKSA-N -1 3 395.356 3.789 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000520245307 853998551 /nfs/dbraw/zinc/99/85/51/853998551.db2.gz DCAXKMUIFGOKGK-UHFFFAOYSA-N -1 3 382.464 3.979 20 0 GHADHM Cc1sc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1-c1ccc(F)cc1 ZINC000481910041 862525557 /nfs/dbraw/zinc/52/55/57/862525557.db2.gz PZUFEIZMYZTKBI-UHFFFAOYSA-N -1 3 384.358 3.930 20 0 GHADHM O=S(=O)([N-]CCc1nc(-c2ccncc2)cs1)c1ccc(Cl)cc1F ZINC000588005194 854067459 /nfs/dbraw/zinc/06/74/59/854067459.db2.gz HCYBUDGABRRTJR-UHFFFAOYSA-N -1 3 397.884 3.519 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000588216411 854218743 /nfs/dbraw/zinc/21/87/43/854218743.db2.gz HJMRKDKLISJEHX-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM Cc1csc([C@H](C)NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n1 ZINC000112634548 854280274 /nfs/dbraw/zinc/28/02/74/854280274.db2.gz MDEZAMNEGBBDME-VIFPVBQESA-N -1 3 392.278 3.547 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1C ZINC000588633543 854320742 /nfs/dbraw/zinc/32/07/42/854320742.db2.gz QEVLCTBGIHIFIG-UHFFFAOYSA-N -1 3 398.488 3.857 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000588703436 854366177 /nfs/dbraw/zinc/36/61/77/854366177.db2.gz XWYGJVAXUWRTPU-UHFFFAOYSA-N -1 3 398.419 3.688 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3n2C)sc1Cl ZINC000473944702 854393357 /nfs/dbraw/zinc/39/33/57/854393357.db2.gz LFOAWXYMRYZKFF-UHFFFAOYSA-N -1 3 390.317 3.729 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@](C(=O)[O-])(C(C)C)C3)cs2)c(OC)c1 ZINC000572127555 854405018 /nfs/dbraw/zinc/40/50/18/854405018.db2.gz JJIFGOYOIFMWJX-HXUWFJFHSA-N -1 3 390.505 3.760 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1F)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000045269281 854459764 /nfs/dbraw/zinc/45/97/64/854459764.db2.gz XZVFHQCUSRVNAY-CQSZACIVSA-N -1 3 379.844 3.660 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-n4ccnn4)cc3)nc(=O)c2c1C ZINC000760712385 854537396 /nfs/dbraw/zinc/53/73/96/854537396.db2.gz ANYIDOBEFZTFJP-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000588840421 854542288 /nfs/dbraw/zinc/54/22/88/854542288.db2.gz XMKXJUSDDFTNLU-UHFFFAOYSA-N -1 3 381.457 3.736 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000068120235 854552442 /nfs/dbraw/zinc/55/24/42/854552442.db2.gz JGEOXLJEBYTNTI-UHFFFAOYSA-N -1 3 382.489 3.961 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2cccs2)cc1OC ZINC000068628126 854602199 /nfs/dbraw/zinc/60/21/99/854602199.db2.gz CYDBDQHQRMYXSI-LBPRGKRZSA-N -1 3 397.522 3.743 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)[nH][n-]2)c1 ZINC000604901524 862583780 /nfs/dbraw/zinc/58/37/80/862583780.db2.gz VGPZVAAOBHNFLM-UHFFFAOYSA-N -1 3 392.434 3.612 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(NC(=O)C(C)C)cc3)nc2)n1 ZINC000068662174 854605701 /nfs/dbraw/zinc/60/57/01/854605701.db2.gz LKQPFXNGJHQBEV-UHFFFAOYSA-N -1 3 391.475 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Br)s3)nc2)n1 ZINC000068663500 854607010 /nfs/dbraw/zinc/60/70/10/854607010.db2.gz RKVLBLTVGXMIHS-UHFFFAOYSA-N -1 3 391.294 3.830 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc(OC)cc3OC)nc2)n1 ZINC000068665631 854607593 /nfs/dbraw/zinc/60/75/93/854607593.db2.gz CFHBNZSDPQDAGC-ZDUSSCGKSA-N -1 3 380.448 3.585 20 0 GHADHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330630746 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O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC[C@@H]1c1ccccc1 ZINC000053085420 855544192 /nfs/dbraw/zinc/54/41/92/855544192.db2.gz HURLEYBORZBBAO-LJQANCHMSA-N -1 3 399.447 3.542 20 0 GHADHM CC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccs1 ZINC000482077641 862696936 /nfs/dbraw/zinc/69/69/36/862696936.db2.gz OZAAQKCETQHELP-LBPRGKRZSA-N -1 3 379.283 3.853 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCSC(C)(C)C)ccc1F ZINC000733065203 862708337 /nfs/dbraw/zinc/70/83/37/862708337.db2.gz JHUIZAQBTJFXNE-UHFFFAOYSA-N -1 3 391.530 3.591 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000614621537 855801757 /nfs/dbraw/zinc/80/17/57/855801757.db2.gz AJAFFVOTKQBNGX-WPRPVWTQSA-N -1 3 376.297 3.706 20 0 GHADHM COc1cccc(C2(CNC(=O)c3c[n-]c4ccccc4c3=O)CCCC2)c1 ZINC000108313834 855818920 /nfs/dbraw/zinc/81/89/20/855818920.db2.gz VBDHYIZZSGNGRS-UHFFFAOYSA-N -1 3 376.456 3.779 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1F ZINC000057425374 855893984 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20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000029047752 856015607 /nfs/dbraw/zinc/01/56/07/856015607.db2.gz KCSBCCYLPDHWJX-UHFFFAOYSA-N -1 3 382.869 3.888 20 0 GHADHM CCOc1nc(C(=O)[N-]c2ncc(C(F)(F)F)cc2Br)co1 ZINC000905023730 856136563 /nfs/dbraw/zinc/13/65/63/856136563.db2.gz UTIRYVHKPVPWJA-UHFFFAOYSA-N -1 3 380.120 3.502 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccnc(OC2CCC2)c1 ZINC000485136120 856147164 /nfs/dbraw/zinc/14/71/64/856147164.db2.gz ROPITVILXSBPEC-UHFFFAOYSA-N -1 3 375.388 3.797 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccnc(OC2CCC2)c1 ZINC000485136120 856147172 /nfs/dbraw/zinc/14/71/72/856147172.db2.gz ROPITVILXSBPEC-UHFFFAOYSA-N -1 3 375.388 3.797 20 0 GHADHM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc2c(cc1[O-])OCO2 ZINC000436783319 856323985 /nfs/dbraw/zinc/32/39/85/856323985.db2.gz LRUGIHGKPHXRAM-UHFFFAOYSA-N -1 3 376.340 3.775 20 0 GHADHM CS(=O)(=O)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000485358283 856396529 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Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1S(=O)(=O)NC1CC1 ZINC000472204525 856535318 /nfs/dbraw/zinc/53/53/18/856535318.db2.gz HUHNFHCVDAQOOP-UHFFFAOYSA-N -1 3 396.468 3.547 20 0 GHADHM Cc1noc(C[C@@H]2CCCN(Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2)n1 ZINC000905775257 856540225 /nfs/dbraw/zinc/54/02/25/856540225.db2.gz LNGNKDFGEBHEQJ-HNNXBMFYSA-N -1 3 381.432 3.791 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000482215985 862816265 /nfs/dbraw/zinc/81/62/65/862816265.db2.gz RIEDXWRBKWMZNG-UHFFFAOYSA-N -1 3 387.774 3.530 20 0 GHADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1C ZINC000674650172 856586737 /nfs/dbraw/zinc/58/67/37/856586737.db2.gz IMMMIHJDFBSHAJ-UHFFFAOYSA-N -1 3 388.489 3.776 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ccc1OCCO ZINC000507880118 856622375 /nfs/dbraw/zinc/62/23/75/856622375.db2.gz VYMJOKLCBVVEII-UHFFFAOYSA-N -1 3 383.469 3.834 20 0 GHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472324989 856628047 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Cc1nc(C)c(CC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000508037064 856841724 /nfs/dbraw/zinc/84/17/24/856841724.db2.gz DZDSGAMGJGTIAK-UHFFFAOYSA-N -1 3 383.398 3.526 20 0 GHADHM O=c1cc(-c2nc(Cc3cc(F)cc(Br)c3)no2)nc(C2CC2)[n-]1 ZINC000906115635 856841840 /nfs/dbraw/zinc/84/18/40/856841840.db2.gz MYCKYAGXXMMCLA-UHFFFAOYSA-N -1 3 391.200 3.602 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000508083901 856878402 /nfs/dbraw/zinc/87/84/02/856878402.db2.gz KUSVAJNUYFPMKS-UHFFFAOYSA-N -1 3 393.770 3.653 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(Br)cc3)no1)OCO2 ZINC000436984351 856944262 /nfs/dbraw/zinc/94/42/62/856944262.db2.gz APSURDYWBKIBDU-UHFFFAOYSA-N -1 3 375.178 3.524 20 0 GHADHM CCCCc1nc(NC(=O)c2ccn(-c3ccccc3F)n2)c(C(=O)OCC)[n-]1 ZINC000485704809 856955217 /nfs/dbraw/zinc/95/52/17/856955217.db2.gz YYBWPGJMXLKNGM-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)[C@@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000675159782 857054896 /nfs/dbraw/zinc/05/48/96/857054896.db2.gz WOTNLSVAAXURGY-SFHVURJKSA-N -1 3 384.480 3.874 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CCC(C)C)CCC(C)C ZINC000485771495 857060554 /nfs/dbraw/zinc/06/05/54/857060554.db2.gz LPNWUXUOZXCMBR-UHFFFAOYSA-N -1 3 398.551 3.994 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Oc1cccnc1 ZINC000057126342 857150433 /nfs/dbraw/zinc/15/04/33/857150433.db2.gz XXSDBUHIICGHQY-UHFFFAOYSA-N -1 3 398.440 3.754 20 0 GHADHM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)nc1 ZINC000057200317 857165562 /nfs/dbraw/zinc/16/55/62/857165562.db2.gz RXSNOSSJWRCORB-UHFFFAOYSA-N -1 3 381.476 3.710 20 0 GHADHM O=C(NCc1ccccc1Cl)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112625591 857166159 /nfs/dbraw/zinc/16/61/59/857166159.db2.gz AGSMVFWNPRXTIM-UHFFFAOYSA-N -1 3 391.652 3.874 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3ccc4c(c3)OCO4)c2)n1 ZINC000428170357 857173558 /nfs/dbraw/zinc/17/35/58/857173558.db2.gz KWWUUWUHVHKOTD-CYBMUJFWSA-N -1 3 391.427 3.883 20 0 GHADHM C[S@@](=O)Cc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000906713220 857238181 /nfs/dbraw/zinc/23/81/81/857238181.db2.gz UFMSWUOBDNPUGA-AREMUKBSSA-N -1 3 395.506 3.621 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1F ZINC000574211565 857289359 /nfs/dbraw/zinc/28/93/59/857289359.db2.gz WBNOPLVXYJRQAM-HWPZZCPQSA-N -1 3 392.279 3.674 20 0 GHADHM Cc1c([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)cnn1-c1ccccc1 ZINC000187031720 857355013 /nfs/dbraw/zinc/35/50/13/857355013.db2.gz ZXGIDQXEZPVTKE-UHFFFAOYSA-N -1 3 381.457 3.746 20 0 GHADHM Cc1ccc(-c2nc(C[S@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)cs2)o1 ZINC000593207745 857396163 /nfs/dbraw/zinc/39/61/63/857396163.db2.gz STDNPWORJDCLNU-RUZDIDTESA-N -1 3 375.475 3.533 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cnn1CC(C)C ZINC000907181686 857520653 /nfs/dbraw/zinc/52/06/53/857520653.db2.gz HXRCEZFXSDKWJW-UHFFFAOYSA-N -1 3 379.486 3.903 20 0 GHADHM Cc1sc(Br)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C ZINC000442259738 857667884 /nfs/dbraw/zinc/66/78/84/857667884.db2.gz XXHYHRXBRGHQRG-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1sc(Br)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C ZINC000442259738 857667889 /nfs/dbraw/zinc/66/78/89/857667889.db2.gz XXHYHRXBRGHQRG-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000064479341 857713104 /nfs/dbraw/zinc/71/31/04/857713104.db2.gz STMVWHJHTBYVJZ-UHFFFAOYSA-N -1 3 391.489 3.663 20 0 GHADHM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)n1-c1ccccc1C ZINC000058895012 857730661 /nfs/dbraw/zinc/73/06/61/857730661.db2.gz YHEBIFJGYVIEAR-UHFFFAOYSA-N -1 3 396.468 3.577 20 0 GHADHM COc1cc(C(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)cc(OC)c1[O-] ZINC000593812142 857733701 /nfs/dbraw/zinc/73/37/01/857733701.db2.gz VKYHZVUEHKUXSA-UHFFFAOYSA-N -1 3 393.480 3.574 20 0 GHADHM Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2[O-])n1Cc1ccccc1 ZINC000109091780 857750440 /nfs/dbraw/zinc/75/04/40/857750440.db2.gz DUDOABFCKMKFQR-UHFFFAOYSA-N -1 3 388.880 3.725 20 0 GHADHM CCCc1cc(Sc2nnc([N-]c3ccccc3F)s2)n2ncnc2n1 ZINC000064904905 857752771 /nfs/dbraw/zinc/75/27/71/857752771.db2.gz VMMOKAJNEIFFJD-UHFFFAOYSA-N -1 3 387.469 3.962 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001271256575 862946946 /nfs/dbraw/zinc/94/69/46/862946946.db2.gz BVVHBBNHFQLJTA-KBPBESRZSA-N -1 3 376.806 3.677 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001271256649 862946989 /nfs/dbraw/zinc/94/69/89/862946989.db2.gz DLNUUGDLGCPWPR-SMDDNHRTSA-N -1 3 376.806 3.534 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482328393 862949632 /nfs/dbraw/zinc/94/96/32/862949632.db2.gz HSNKBCHQNJSSTD-DIFFPNOSSA-N -1 3 375.266 3.887 20 0 GHADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482328391 862950039 /nfs/dbraw/zinc/95/00/39/862950039.db2.gz HSNKBCHQNJSSTD-APPDUMDISA-N -1 3 375.266 3.887 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCCC4)n1 ZINC000131872477 857845784 /nfs/dbraw/zinc/84/57/84/857845784.db2.gz OHKJIKFJBQZOOW-JTQLQIEISA-N -1 3 388.518 3.531 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000676394764 857862414 /nfs/dbraw/zinc/86/24/14/857862414.db2.gz CUHLOKCERYWJHN-FQEVSTJZSA-N -1 3 386.879 3.823 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC(C)C ZINC000065912590 857875863 /nfs/dbraw/zinc/87/58/63/857875863.db2.gz RQMNEHFWHJZYBO-UHFFFAOYSA-N -1 3 378.469 3.663 20 0 GHADHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000065975095 857889473 /nfs/dbraw/zinc/88/94/73/857889473.db2.gz IKMDWSNTZMNEKP-UHFFFAOYSA-N -1 3 398.315 3.884 20 0 GHADHM CCCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC000908091263 857913364 /nfs/dbraw/zinc/91/33/64/857913364.db2.gz KRVIIQISZHJACJ-VQTJNVASSA-N -1 3 386.536 3.781 20 0 GHADHM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC000908091262 857913982 /nfs/dbraw/zinc/91/39/82/857913982.db2.gz KRVIIQISZHJACJ-UXHICEINSA-N -1 3 386.536 3.781 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnn2c1CCCC2 ZINC000442587809 857962009 /nfs/dbraw/zinc/96/20/09/857962009.db2.gz PJFYQCRZZCMRDJ-UHFFFAOYSA-N -1 3 376.247 3.591 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499646225 858029847 /nfs/dbraw/zinc/02/98/47/858029847.db2.gz ZSQZZKXFPQRBFD-LLVKDONJSA-N -1 3 399.921 3.888 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(C)c1 ZINC000574518294 858067144 /nfs/dbraw/zinc/06/71/44/858067144.db2.gz AQZULLYIIBQNOB-SXLOBPIMSA-N -1 3 380.488 3.739 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)s1 ZINC000442783536 858122943 /nfs/dbraw/zinc/12/29/43/858122943.db2.gz UDLYGIRQQGDIDV-UHFFFAOYSA-N -1 3 394.415 3.620 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cnccc1C(F)(F)F ZINC000442808118 858132875 /nfs/dbraw/zinc/13/28/75/858132875.db2.gz GMZPKOXMRRKHDL-LBPRGKRZSA-N -1 3 392.786 3.556 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Cl)c1cnccc1C(F)(F)F ZINC000442809485 858152455 /nfs/dbraw/zinc/15/24/55/858152455.db2.gz KLSDAEFABIDGNI-CYBMUJFWSA-N -1 3 376.787 3.720 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1c1ccccc1 ZINC000443009850 858308943 /nfs/dbraw/zinc/30/89/43/858308943.db2.gz LLPMDJBAMAVWGN-RDJZCZTQSA-N -1 3 391.464 3.617 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000443009847 858308987 /nfs/dbraw/zinc/30/89/87/858308987.db2.gz LLPMDJBAMAVWGN-DOTOQJQBSA-N -1 3 391.464 3.617 20 0 GHADHM CC[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1ccccc1OC(F)F ZINC000046684539 858322445 /nfs/dbraw/zinc/32/24/45/858322445.db2.gz KCXWKKPLUVHSDN-AWEZNQCLSA-N -1 3 381.354 3.522 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000443108539 858364458 /nfs/dbraw/zinc/36/44/58/858364458.db2.gz NEMLBVHNZQXZQR-CQSZACIVSA-N -1 3 397.905 3.642 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cccc2ccccc21 ZINC000443113966 858379848 /nfs/dbraw/zinc/37/98/48/858379848.db2.gz ZXTRYINUVJCTRQ-CYBMUJFWSA-N -1 3 387.432 3.805 20 0 GHADHM COc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000443137068 858411006 /nfs/dbraw/zinc/41/10/06/858411006.db2.gz SHUCUZYNJFTNLG-LSDHHAIUSA-N -1 3 388.895 3.789 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1OC ZINC000115340331 858497532 /nfs/dbraw/zinc/49/75/32/858497532.db2.gz REGQMFXFIKFLOT-OAHLLOKOSA-N -1 3 388.489 3.515 20 0 GHADHM Cc1sc([N-]C(=O)c2cccc[n+]2[O-])nc1-c1ccc(OC(F)F)cc1 ZINC000046913451 858601574 /nfs/dbraw/zinc/60/15/74/858601574.db2.gz WBHJBLWATZXVCL-UHFFFAOYSA-N -1 3 377.372 3.606 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)s1 ZINC000522090594 858601573 /nfs/dbraw/zinc/60/15/73/858601573.db2.gz OHBIHHDMBDFFRM-CQSZACIVSA-N -1 3 375.542 3.506 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000482655516 858736620 /nfs/dbraw/zinc/73/66/20/858736620.db2.gz LCPSZWJJOKNYCI-SECBINFHSA-N -1 3 391.806 3.513 20 0 GHADHM CCc1ccc(N2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)cc1Cl ZINC000804195623 858761966 /nfs/dbraw/zinc/76/19/66/858761966.db2.gz LBZLVHJZKAKPOX-UHFFFAOYSA-N -1 3 396.878 3.514 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc1[O-] ZINC000761177002 858902299 /nfs/dbraw/zinc/90/22/99/858902299.db2.gz DQKMMMMCRGVLRI-UHFFFAOYSA-N -1 3 395.770 3.711 20 0 GHADHM O=c1nc(CN2CCc3ccccc3CC2)[n-]c2scc(-c3ccco3)c21 ZINC000116300178 858931558 /nfs/dbraw/zinc/93/15/58/858931558.db2.gz DECOYGOSTVPPKX-UHFFFAOYSA-N -1 3 377.469 3.845 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ncn(C2CCCCC2)n1 ZINC000184570155 858962672 /nfs/dbraw/zinc/96/26/72/858962672.db2.gz LRZUMICFNLXUQB-UHFFFAOYSA-N -1 3 394.273 3.573 20 0 GHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000184617352 858970450 /nfs/dbraw/zinc/97/04/50/858970450.db2.gz YUBCIWRTVGZTRT-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM COc1cc(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)cc(OC)c1[O-] ZINC000482990283 859044853 /nfs/dbraw/zinc/04/48/53/859044853.db2.gz VBUYFVBUQLAGJL-UHFFFAOYSA-N -1 3 379.815 3.820 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)[nH][n-]1 ZINC000483002968 859062783 /nfs/dbraw/zinc/06/27/83/859062783.db2.gz BKNLRXWGAXEZTN-DOMZBBRYSA-N -1 3 389.883 3.741 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483032953 859080349 /nfs/dbraw/zinc/08/03/49/859080349.db2.gz WSCLDQZIKFXXNQ-UHFFFAOYSA-N -1 3 383.418 3.672 20 0 GHADHM CCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc21 ZINC000185448933 859083834 /nfs/dbraw/zinc/08/38/34/859083834.db2.gz PPAMPFRDSJCMBR-UHFFFAOYSA-N -1 3 393.418 3.527 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)c(F)cc2[O-])cc1)C1CC1 ZINC001141762308 859092077 /nfs/dbraw/zinc/09/20/77/859092077.db2.gz NGSKFVUGHHUSHN-UHFFFAOYSA-N -1 3 394.196 3.862 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ccoc1Br ZINC000193560034 859172631 /nfs/dbraw/zinc/17/26/31/859172631.db2.gz VXIDXBNUCKMQHV-UHFFFAOYSA-N -1 3 382.214 3.876 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)cc1 ZINC000509377528 859237072 /nfs/dbraw/zinc/23/70/72/859237072.db2.gz XFIPIWKRVAUHNV-UHFFFAOYSA-N -1 3 386.395 3.941 20 0 GHADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000509392598 859293120 /nfs/dbraw/zinc/29/31/20/859293120.db2.gz RNBCNMYOFCCIKK-SECBINFHSA-N -1 3 380.413 3.606 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1C ZINC000194709332 859305823 /nfs/dbraw/zinc/30/58/23/859305823.db2.gz ZXTQXVVOADUYLT-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c([O-])c1 ZINC000191592604 859323528 /nfs/dbraw/zinc/32/35/28/859323528.db2.gz HYNSOJAIGPLTBE-UHFFFAOYSA-N -1 3 375.490 3.920 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000923469434 859347687 /nfs/dbraw/zinc/34/76/87/859347687.db2.gz DRRFYNAZANJAKO-HXUWFJFHSA-N -1 3 390.505 3.904 20 0 GHADHM Cc1cccc(S(=O)(=O)CCCOC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000766175660 859414434 /nfs/dbraw/zinc/41/44/34/859414434.db2.gz BLNBXVWSNGXXAQ-UHFFFAOYSA-N -1 3 376.261 3.651 20 0 GHADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000543683634 859418681 /nfs/dbraw/zinc/41/86/81/859418681.db2.gz ADACWSVQZOPDDU-HNNXBMFYSA-N -1 3 386.395 3.661 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483540906 859437475 /nfs/dbraw/zinc/43/74/75/859437475.db2.gz HXXHIPMKILYIST-WFASDCNBSA-N -1 3 381.402 3.815 20 0 GHADHM CC(C)c1ccc(C[C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000483539956 859448991 /nfs/dbraw/zinc/44/89/91/859448991.db2.gz GJKDMDJCGNYZBM-AWEZNQCLSA-N -1 3 395.429 3.721 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000483570983 859467424 /nfs/dbraw/zinc/46/74/24/859467424.db2.gz YUKIFMIDWOWOLA-CQSZACIVSA-N -1 3 381.402 3.520 20 0 GHADHM CCc1cc2c(CSc3nnc(OC(C)C)s3)cc(=O)oc2cc1[O-] ZINC000060529754 859479512 /nfs/dbraw/zinc/47/95/12/859479512.db2.gz NKWAHFJXYFIUPK-UHFFFAOYSA-N -1 3 378.475 3.992 20 0 GHADHM Cc1cccc(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000480390503 859525769 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C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606652610 863748624 /nfs/dbraw/zinc/74/86/24/863748624.db2.gz KGFJBTQISAVEKL-LLVKDONJSA-N -1 3 386.345 3.817 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000120726567 881691916 /nfs/dbraw/zinc/69/19/16/881691916.db2.gz WGPZTLABJIMJKG-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000120726567 881691924 /nfs/dbraw/zinc/69/19/24/881691924.db2.gz WGPZTLABJIMJKG-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3c(C)cc(Br)cc3C)ccc2n1 ZINC000606753147 863819108 /nfs/dbraw/zinc/81/91/08/863819108.db2.gz TUGPVNHAZOPTTE-UHFFFAOYSA-N -1 3 394.294 3.823 20 0 GHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000042415377 863966008 /nfs/dbraw/zinc/96/60/08/863966008.db2.gz OXUUQSLVYFNNAH-RKDXNWHRSA-N -1 3 399.148 3.925 20 0 GHADHM Cc1coc2ccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)cc12 ZINC000480073182 864000734 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WVJKTAANMKUMCV-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000480621493 864984895 /nfs/dbraw/zinc/98/48/95/864984895.db2.gz DYZGWDPFGDDODG-INIZCTEOSA-N -1 3 385.888 3.795 20 0 GHADHM CCc1cccc(C)c1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000480661940 865032251 /nfs/dbraw/zinc/03/22/51/865032251.db2.gz LABFYGXCFRTGNN-UHFFFAOYSA-N -1 3 390.505 3.725 20 0 GHADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444350480 865047120 /nfs/dbraw/zinc/04/71/20/865047120.db2.gz HJVKWZXMJMWLCX-UHFFFAOYSA-N -1 3 397.179 3.512 20 0 GHADHM Cc1cc2cc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)oc2cc1C ZINC000608134967 865049256 /nfs/dbraw/zinc/04/92/56/865049256.db2.gz FBVCMLCAPIETOE-UHFFFAOYSA-N -1 3 392.455 3.790 20 0 GHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)Cc2ccccc21 ZINC000736289852 865178143 /nfs/dbraw/zinc/17/81/43/865178143.db2.gz OFMULVBUZURZLN-LLVKDONJSA-N -1 3 378.386 3.817 20 0 GHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)Cc2ccccc21 ZINC000736289852 865178157 /nfs/dbraw/zinc/17/81/57/865178157.db2.gz OFMULVBUZURZLN-LLVKDONJSA-N -1 3 378.386 3.817 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)n1 ZINC000622739055 865193358 /nfs/dbraw/zinc/19/33/58/865193358.db2.gz SBRJQJBOGVBEHA-JTQLQIEISA-N -1 3 384.263 3.616 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)N3CCc4ccccc43)nc2)n1 ZINC000301188950 865215548 /nfs/dbraw/zinc/21/55/48/865215548.db2.gz XJPVAIKQKZPHBR-OAHLLOKOSA-N -1 3 375.476 3.670 20 0 GHADHM CCCCc1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736467073 865216547 /nfs/dbraw/zinc/21/65/47/865216547.db2.gz SUCUBKSLQBQVGM-UHFFFAOYSA-N -1 3 379.464 3.503 20 0 GHADHM CCCCc1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736467073 865216560 /nfs/dbraw/zinc/21/65/60/865216560.db2.gz SUCUBKSLQBQVGM-UHFFFAOYSA-N -1 3 379.464 3.503 20 0 GHADHM CCOC(=O)c1sc2nc(C)nc(NCc3ccc([O-])c(F)c3)c2c1C ZINC000301330392 865289274 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CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000555120206 865542359 /nfs/dbraw/zinc/54/23/59/865542359.db2.gz XXOVOXGXWMORQG-UHFFFAOYSA-N -1 3 376.526 3.849 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1ccc(C2CC2)cc1 ZINC000622887165 865681101 /nfs/dbraw/zinc/68/11/01/865681101.db2.gz OHACUSVTKUPIFM-UHFFFAOYSA-N -1 3 388.187 3.760 20 0 GHADHM CC(C)(C)c1nc([N-][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)no1 ZINC000302053321 865688248 /nfs/dbraw/zinc/68/82/48/865688248.db2.gz PHIKXPJWCYNNHN-CYBMUJFWSA-N -1 3 380.395 3.576 20 0 GHADHM CCc1nnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1CC ZINC000302719628 865890765 /nfs/dbraw/zinc/89/07/65/865890765.db2.gz HBOKTNHXHQHBNA-UHFFFAOYSA-N -1 3 398.488 3.898 20 0 GHADHM CCc1ccc([C@H]2CN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)CCO2)cc1 ZINC000302726376 865893817 /nfs/dbraw/zinc/89/38/17/865893817.db2.gz PHGQBLIHNFEBJE-HXUWFJFHSA-N -1 3 390.487 3.947 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000623017896 865920979 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ZINC000477838741 871987651 /nfs/dbraw/zinc/98/76/51/871987651.db2.gz SLVSEYJONICUOZ-UHFFFAOYSA-N -1 3 395.463 3.619 20 0 GHADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc(=O)c2ccccc2[n-]1 ZINC000509655864 872009435 /nfs/dbraw/zinc/00/94/35/872009435.db2.gz GTGWVGHSIONWPZ-GOSISDBHSA-N -1 3 376.460 3.647 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(c2ccccc2)c2ccccc2N)cc1F ZINC001194982346 872086942 /nfs/dbraw/zinc/08/69/42/872086942.db2.gz ZNXWQJBVWHRFGL-UHFFFAOYSA-N -1 3 399.447 3.758 20 0 GHADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132805 872190101 /nfs/dbraw/zinc/19/01/01/872190101.db2.gz BGEZLPCNEBDKOH-VIFPVBQESA-N -1 3 381.657 3.790 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(Cl)[n-]c2=O)cc1 ZINC001195139926 872195568 /nfs/dbraw/zinc/19/55/68/872195568.db2.gz BHHMPZTZHFOHGJ-UHFFFAOYSA-N -1 3 391.855 3.742 20 0 GHADHM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(Br)cc3[O-])cccc21 ZINC000447723028 872210172 /nfs/dbraw/zinc/21/01/72/872210172.db2.gz MNNPFCOHJCSMLI-HNNXBMFYSA-N -1 3 391.265 3.792 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667268182 872262633 /nfs/dbraw/zinc/26/26/33/872262633.db2.gz ZYAJUSKYRLGHJV-UHFFFAOYSA-N -1 3 378.432 3.502 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1Cl)c1cnccc1C(F)(F)F ZINC000526944898 872347121 /nfs/dbraw/zinc/34/71/21/872347121.db2.gz DKUDOOPORXZSAN-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F)c1cscn1 ZINC001195445445 872393120 /nfs/dbraw/zinc/39/31/20/872393120.db2.gz KMQHCNOFSZJOFA-LURJTMIESA-N -1 3 399.694 3.738 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1cc(Br)ccc1F ZINC001195463786 872406434 /nfs/dbraw/zinc/40/64/34/872406434.db2.gz HPYFIWBPPXAZMV-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CNc1ncc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)s1 ZINC000763545508 872515471 /nfs/dbraw/zinc/51/54/71/872515471.db2.gz WLGZBKUSKIGYMD-UHFFFAOYSA-N -1 3 381.483 3.720 20 0 GHADHM O=C(Nc1ncc(Br)[n-]c1=O)c1sccc1-c1ccccc1 ZINC001195721229 872607431 /nfs/dbraw/zinc/60/74/31/872607431.db2.gz ZCHAJSGYWKYUMN-UHFFFAOYSA-N -1 3 376.235 3.513 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(Br)c2c(c1)OCCO2 ZINC000552435670 872645216 /nfs/dbraw/zinc/64/52/16/872645216.db2.gz TZFDJNXOBMRZBQ-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001195791395 872665485 /nfs/dbraw/zinc/66/54/85/872665485.db2.gz JXESXGUTNMGYRY-MRXNPFEDSA-N -1 3 387.379 3.817 20 0 GHADHM O=S(=O)([N-]c1ccc2c(Br)cncc2c1)c1ccc(O)cc1 ZINC001195806828 872677213 /nfs/dbraw/zinc/67/72/13/872677213.db2.gz PWIQKTKTPBZLJX-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM COC(=O)c1cccc(NC(=S)Nc2cc(Br)ccc2[O-])c1 ZINC001195841468 872709450 /nfs/dbraw/zinc/70/94/50/872709450.db2.gz KWKGCGILTBHJBU-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM COC(=O)c1cccc(NC(=S)Nc2ccc(Br)cc2[O-])c1 ZINC001195842153 872709631 /nfs/dbraw/zinc/70/96/31/872709631.db2.gz YIZUQDSFGDQKRK-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000448033501 872721644 /nfs/dbraw/zinc/72/16/44/872721644.db2.gz CIQFZLVWLCLWDY-UHFFFAOYSA-N -1 3 396.466 3.841 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(Br)cc1C(F)(F)F ZINC001195868964 872726977 /nfs/dbraw/zinc/72/69/77/872726977.db2.gz HINMMIRRKIMUED-UBHAPETDSA-N -1 3 398.244 3.935 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(Br)sc1C ZINC001195961021 872768639 /nfs/dbraw/zinc/76/86/39/872768639.db2.gz ABKGGZZWVWCZFI-UHFFFAOYSA-N -1 3 388.214 3.703 20 0 GHADHM Cc1ncc(CNC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)c(=O)[n-]1 ZINC000478256064 872770330 /nfs/dbraw/zinc/77/03/30/872770330.db2.gz TVFGPNDLZBVKRB-UHFFFAOYSA-N -1 3 375.837 3.818 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(C(C)C)c2)[n-]n1 ZINC001195984744 872783585 /nfs/dbraw/zinc/78/35/85/872783585.db2.gz GAYBMJXWJPPRGW-UHFFFAOYSA-N -1 3 380.242 3.725 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(C(C)C)c2)n[n-]1 ZINC001195984744 872783593 /nfs/dbraw/zinc/78/35/93/872783593.db2.gz GAYBMJXWJPPRGW-UHFFFAOYSA-N -1 3 380.242 3.725 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)[n-]1 ZINC000619617170 872788789 /nfs/dbraw/zinc/78/87/89/872788789.db2.gz LRGSEOQSSWWOPV-UHFFFAOYSA-N -1 3 377.444 3.627 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c[n-]1 ZINC000619617170 872788805 /nfs/dbraw/zinc/78/88/05/872788805.db2.gz LRGSEOQSSWWOPV-UHFFFAOYSA-N -1 3 377.444 3.627 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208863 872808902 /nfs/dbraw/zinc/80/89/02/872808902.db2.gz JGWJAUGKVKZWTF-CYBMUJFWSA-N -1 3 376.869 3.518 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000527208503 872810888 /nfs/dbraw/zinc/81/08/88/872810888.db2.gz NFLBLJSHWLTBKG-KRWDZBQOSA-N -1 3 375.856 3.910 20 0 GHADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]C[C@H]1OCc2ccccc21 ZINC001196022722 872821006 /nfs/dbraw/zinc/82/10/06/872821006.db2.gz YYEOFAWABVUWOV-GFCCVEGCSA-N -1 3 378.302 3.746 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(-c2c(F)cccc2F)n1 ZINC000478316783 872860281 /nfs/dbraw/zinc/86/02/81/872860281.db2.gz SSKHKCJEMHWDFM-UHFFFAOYSA-N -1 3 381.342 3.966 20 0 GHADHM COc1ccc(C(C)(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000122688214 882665214 /nfs/dbraw/zinc/66/52/14/882665214.db2.gz BFIGYNLEMRDMLC-UHFFFAOYSA-N -1 3 378.266 3.757 20 0 GHADHM O=c1[n-]c(SCc2cccc3nsnc32)nc2c1cnn2-c1ccccc1 ZINC000767868782 872923767 /nfs/dbraw/zinc/92/37/67/872923767.db2.gz MEZJAJZBKXRSLD-UHFFFAOYSA-N -1 3 392.469 3.818 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1 ZINC001196258183 872974981 /nfs/dbraw/zinc/97/49/81/872974981.db2.gz JQWAFOILRYMQGP-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2)c1 ZINC000151658878 872994763 /nfs/dbraw/zinc/99/47/63/872994763.db2.gz KBYLHJCLHAJUCN-UHFFFAOYSA-N -1 3 381.457 3.681 20 0 GHADHM COCC[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)c(Cl)c1 ZINC000552741500 873103367 /nfs/dbraw/zinc/10/33/67/873103367.db2.gz IAXHETAHEWCUHJ-AWEZNQCLSA-N -1 3 379.247 3.772 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000527499544 873186146 /nfs/dbraw/zinc/18/61/46/873186146.db2.gz JXLRYHUWTQBZHP-LBPRGKRZSA-N -1 3 393.287 3.973 20 0 GHADHM COc1ccccc1/C(C)=C/C(=O)NCc1ccc([O-])c(Br)c1 ZINC000768293709 873214790 /nfs/dbraw/zinc/21/47/90/873214790.db2.gz RSHVDRZXGMBZTD-FMIVXFBMSA-N -1 3 376.250 3.883 20 0 GHADHM COc1cccc(/C(C)=C/C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000768294580 873214816 /nfs/dbraw/zinc/21/48/16/873214816.db2.gz XFXAKUVSGVCNAU-XYOKQWHBSA-N -1 3 376.250 3.883 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]C2(CC3CC3)CCC(F)(F)CC2)c1 ZINC001196795159 873365792 /nfs/dbraw/zinc/36/57/92/873365792.db2.gz SOSNUITWHRBIAK-UHFFFAOYSA-N -1 3 377.428 3.861 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)s2)c1 ZINC001196776453 873384729 /nfs/dbraw/zinc/38/47/29/873384729.db2.gz BQANOIVRPYGCOS-QMMMGPOBSA-N -1 3 394.287 3.698 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196838681 873395786 /nfs/dbraw/zinc/39/57/86/873395786.db2.gz FUFKLNOMZXELIT-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196838681 873395794 /nfs/dbraw/zinc/39/57/94/873395794.db2.gz FUFKLNOMZXELIT-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2F)c1 ZINC001197109924 873604584 /nfs/dbraw/zinc/60/45/84/873604584.db2.gz HIDJHBZDRYXRQB-AATRIKPKSA-N -1 3 387.791 3.605 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000541489380 873685601 /nfs/dbraw/zinc/68/56/01/873685601.db2.gz VSPFYUBBCRSXTJ-NSHDSACASA-N -1 3 377.282 3.799 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cnc1Cl ZINC001197507844 873843730 /nfs/dbraw/zinc/84/37/30/873843730.db2.gz GKHQXLSTLUAYIM-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2c(C)noc2C(F)(F)F)sc2c1CCC2 ZINC001197586331 873927223 /nfs/dbraw/zinc/92/72/23/873927223.db2.gz ZAVOMQPLVITLKB-UHFFFAOYSA-N -1 3 388.367 3.981 20 0 GHADHM CC(C)(C)c1cnn2cc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cnc12 ZINC001197650031 873947297 /nfs/dbraw/zinc/94/72/97/873947297.db2.gz YUSNMCRXIPENGW-UHFFFAOYSA-N -1 3 396.875 3.761 20 0 GHADHM COC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197684757 873978248 /nfs/dbraw/zinc/97/82/48/873978248.db2.gz CFLGBWOBINYFRH-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000775782503 873982541 /nfs/dbraw/zinc/98/25/41/873982541.db2.gz IJRCZINAKDYZEA-MRXNPFEDSA-N -1 3 396.878 3.941 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1c(Br)ccc2ccccc21 ZINC001197780753 874043530 /nfs/dbraw/zinc/04/35/30/874043530.db2.gz WHFXBOFRXWLFFD-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(Cc2ccc(F)cc2)n1 ZINC000464644815 874221113 /nfs/dbraw/zinc/22/11/13/874221113.db2.gz SXPMUPBAMAMFBR-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM O=c1cc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)[nH]c(=S)[n-]1 ZINC001198201567 874271410 /nfs/dbraw/zinc/27/14/10/874271410.db2.gz CXKHUZJHTBQAQL-UHFFFAOYSA-N -1 3 380.804 3.952 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000769741295 874277387 /nfs/dbraw/zinc/27/73/87/874277387.db2.gz JGQJYPJSQYUNRP-PBHICJAKSA-N -1 3 376.497 3.863 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2Br)cn1 ZINC001198266047 874296008 /nfs/dbraw/zinc/29/60/08/874296008.db2.gz SZPXEOUDVSJVLK-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCCN(C(=O)c1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2)C(C)C ZINC000770068179 874432888 /nfs/dbraw/zinc/43/28/88/874432888.db2.gz SBDPZXAHQHKAMI-UHFFFAOYSA-N -1 3 384.432 3.634 20 0 GHADHM Cc1cccc(C2([N-]S(=O)(=O)c3ccccc3Oc3ccccc3)COC2)c1 ZINC001198477133 874449146 /nfs/dbraw/zinc/44/91/46/874449146.db2.gz CTTHSKBNVFUPGI-UHFFFAOYSA-N -1 3 395.480 3.991 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccncc3F)cc2)cc1 ZINC000130539881 882829296 /nfs/dbraw/zinc/82/92/96/882829296.db2.gz YNUVPMCKVXPWEP-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1Cl ZINC001198712108 874600720 /nfs/dbraw/zinc/60/07/20/874600720.db2.gz PHBBBTRVDLSNFQ-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000770445045 874688001 /nfs/dbraw/zinc/68/80/01/874688001.db2.gz QVQMISONSHDECC-GOSISDBHSA-N -1 3 397.500 3.692 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(F)c2)c(C)c1 ZINC001198943563 874724202 /nfs/dbraw/zinc/72/42/02/874724202.db2.gz JTIAGXNFYNTILX-UHFFFAOYSA-N -1 3 395.452 3.501 20 0 GHADHM NC(=O)c1ccc(-c2nc(COC(=O)c3cccc(Cl)c3[O-])cs2)cc1 ZINC000775933688 874793067 /nfs/dbraw/zinc/79/30/67/874793067.db2.gz PXVJYYVZHOLDQP-UHFFFAOYSA-N -1 3 388.832 3.625 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528633722 874825501 /nfs/dbraw/zinc/82/55/01/874825501.db2.gz IISXIGIBDPJTLR-GFCCVEGCSA-N -1 3 376.250 3.793 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccnc1OC(F)(F)F ZINC001199373768 874953417 /nfs/dbraw/zinc/95/34/17/874953417.db2.gz FTEBZOFDKNYXCO-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[C@@H]1C1CC1 ZINC000528825091 875131048 /nfs/dbraw/zinc/13/10/48/875131048.db2.gz MCCJLHINRFXVTH-FJNPEDAXSA-N -1 3 376.884 3.515 20 0 GHADHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000771588786 875353825 /nfs/dbraw/zinc/35/38/25/875353825.db2.gz VQPRYTMGZIMGBC-RNCFNFMXSA-N -1 3 382.309 3.562 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC000475735042 882925449 /nfs/dbraw/zinc/92/54/49/882925449.db2.gz AYHQUOUXVKXXSY-WMZOPIPTSA-N -1 3 385.407 3.611 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000449930302 875657204 /nfs/dbraw/zinc/65/72/04/875657204.db2.gz LPPIWSQRBNIIOJ-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)cc21 ZINC001201628302 875803046 /nfs/dbraw/zinc/80/30/46/875803046.db2.gz WSWOAESTBBDSKJ-UHFFFAOYSA-N -1 3 381.457 3.667 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1cccc(F)c1Br ZINC001201788377 875883681 /nfs/dbraw/zinc/88/36/81/875883681.db2.gz RNCFHZBKVYTQDT-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccccc21)c1ncccc1OCc1ccccc1 ZINC001201898160 875912753 /nfs/dbraw/zinc/91/27/53/875912753.db2.gz LFDOCGAHMXUSRG-LJQANCHMSA-N -1 3 380.469 3.626 20 0 GHADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303810003 876009789 /nfs/dbraw/zinc/00/97/89/876009789.db2.gz NJINNYVWGKOFCT-UHFFFAOYSA-N -1 3 376.368 3.658 20 0 GHADHM COc1ccccc1NC(=O)Nc1ccc(I)cc1[O-] ZINC001202128080 876012694 /nfs/dbraw/zinc/01/26/94/876012694.db2.gz NKTDPKPNJOLLJO-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)o1 ZINC000173351537 876334002 /nfs/dbraw/zinc/33/40/02/876334002.db2.gz DHOWRCASACGBAL-HNNXBMFYSA-N -1 3 391.411 3.668 20 0 GHADHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450389584 876365589 /nfs/dbraw/zinc/36/55/89/876365589.db2.gz KEZXJBMKGCIUKS-ZMZPIMSZSA-N -1 3 396.256 3.729 20 0 GHADHM Cc1cc(NC(=O)COC(=O)c2cc3occc3[n-]2)ccc1Br ZINC000786029576 876391154 /nfs/dbraw/zinc/39/11/54/876391154.db2.gz HAKROZNNFANUIQ-UHFFFAOYSA-N -1 3 377.194 3.627 20 0 GHADHM O=C(Cc1nc(COC(=O)c2cc3occc3[n-]2)cs1)Nc1ccccc1 ZINC000786029342 876392680 /nfs/dbraw/zinc/39/26/80/876392680.db2.gz MIJNPJIIEBVNHT-UHFFFAOYSA-N -1 3 381.413 3.756 20 0 GHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000786030034 876416875 /nfs/dbraw/zinc/41/68/75/876416875.db2.gz AHMMHHXZSXIXAI-LLVKDONJSA-N -1 3 383.429 3.575 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000786140353 876469257 /nfs/dbraw/zinc/46/92/57/876469257.db2.gz NXHBGUNMAHYPTB-LBPRGKRZSA-N -1 3 387.432 3.950 20 0 GHADHM NC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786130212 876497073 /nfs/dbraw/zinc/49/70/73/876497073.db2.gz BQQAWNAKBMMVDN-HNNXBMFYSA-N -1 3 375.833 3.514 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)c3cccnc3)cc2)cc1 ZINC000173591005 876497375 /nfs/dbraw/zinc/49/73/75/876497375.db2.gz NBUIKHOXDLTTDT-INIZCTEOSA-N -1 3 395.484 3.933 20 0 GHADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000108722097 876508804 /nfs/dbraw/zinc/50/88/04/876508804.db2.gz WXEDMGNCQUTRLH-UHFFFAOYSA-N -1 3 388.251 3.747 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613986 883037964 /nfs/dbraw/zinc/03/79/64/883037964.db2.gz YFICHGKPYVFLSD-RJRFIUFISA-N -1 3 383.330 3.738 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613986 883037978 /nfs/dbraw/zinc/03/79/78/883037978.db2.gz YFICHGKPYVFLSD-RJRFIUFISA-N -1 3 383.330 3.738 20 0 GHADHM O=c1nc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(Cl)[n-]1 ZINC000858358217 883046494 /nfs/dbraw/zinc/04/64/94/883046494.db2.gz BBSRUKRYOYLWJJ-UHFFFAOYSA-N -1 3 386.805 3.931 20 0 GHADHM CC(C)OC(=O)O[C@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000850003333 876589534 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CC(C)(C)OC(=O)N1CCC(CO[N-]C(=O)CCCc2ccccc2)CC1 ZINC000786894604 877014095 /nfs/dbraw/zinc/01/40/95/877014095.db2.gz ZRAPUFNLOPEJHS-UHFFFAOYSA-N -1 3 376.497 3.704 20 0 GHADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c[n-]c2ccccc2c1=O ZINC000180905764 883108254 /nfs/dbraw/zinc/10/82/54/883108254.db2.gz AVZNHSYTLVDFNP-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2OCc2cccc(Cl)c2)c(=O)[n-]1 ZINC000136737360 877350947 /nfs/dbraw/zinc/35/09/47/877350947.db2.gz DSUUTXXTCJMORH-UHFFFAOYSA-N -1 3 397.862 3.800 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(CC)c3c2)c1 ZINC000451094064 877359926 /nfs/dbraw/zinc/35/99/26/877359926.db2.gz PDUWRQPKRVHSSY-UHFFFAOYSA-N -1 3 381.841 3.638 20 0 GHADHM COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)c(OC)c1 ZINC000007740190 877424956 /nfs/dbraw/zinc/42/49/56/877424956.db2.gz XPHLTWFXEZZAJB-LJQANCHMSA-N -1 3 381.428 3.853 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000851153720 877450709 /nfs/dbraw/zinc/45/07/09/877450709.db2.gz LNIHYTURNLGLKA-PWSUYJOCSA-N -1 3 397.390 3.723 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cccnc1C ZINC000175197660 877521505 /nfs/dbraw/zinc/52/15/05/877521505.db2.gz HHBPMCVCGPLCTO-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM O=C(OCc1cc(Cl)ccc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787638985 877524746 /nfs/dbraw/zinc/52/47/46/877524746.db2.gz BYNDDSUHCJGYCG-MRXNPFEDSA-N -1 3 377.799 3.533 20 0 GHADHM Cc1ncccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000175207414 877526055 /nfs/dbraw/zinc/52/60/55/877526055.db2.gz FTHCTEVYJPOHIN-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccccc1Br ZINC000175796016 877905557 /nfs/dbraw/zinc/90/55/57/877905557.db2.gz HFKGFOOYCYLVMP-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)c1c(F)cccc1F ZINC000788299669 877978156 /nfs/dbraw/zinc/97/81/56/877978156.db2.gz SYJUXIZPJBZASD-HNNXBMFYSA-N -1 3 376.428 3.918 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000788304928 877981597 /nfs/dbraw/zinc/98/15/97/877981597.db2.gz OFYLBWTWEZFVPC-SNVBAGLBSA-N -1 3 385.798 3.508 20 0 GHADHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788275644 877989089 /nfs/dbraw/zinc/98/90/89/877989089.db2.gz IBGMEUAZYMBZSS-GFCCVEGCSA-N -1 3 389.498 3.844 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)n2)cc1C ZINC000176057494 878059084 /nfs/dbraw/zinc/05/90/84/878059084.db2.gz ODFBCPSLZHGPBF-UHFFFAOYSA-N -1 3 399.447 3.527 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc4c3CCCC4)cccc21 ZINC000788493131 878100279 /nfs/dbraw/zinc/10/02/79/878100279.db2.gz ZWKJGJLXMKVUFG-IBGZPJMESA-N -1 3 386.517 3.751 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccncc1 ZINC000615835012 878152877 /nfs/dbraw/zinc/15/28/77/878152877.db2.gz AHMWIGBMHWXBQX-IBGZPJMESA-N -1 3 392.411 3.614 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1Br ZINC000179951774 878257528 /nfs/dbraw/zinc/25/75/28/878257528.db2.gz BIKNPHBXXVIAPQ-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000852426902 878314141 /nfs/dbraw/zinc/31/41/41/878314141.db2.gz WIJOWACPEHNXNL-UHFFFAOYSA-N -1 3 389.427 3.878 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](c3cnn(C)c3)C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000530729062 878358459 /nfs/dbraw/zinc/35/84/59/878358459.db2.gz QTVHAXVZZXVCRN-IBGZPJMESA-N -1 3 394.479 3.800 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000451782525 878469591 /nfs/dbraw/zinc/46/95/91/878469591.db2.gz QVROXSMRSXMICB-OAHLLOKOSA-N -1 3 378.897 3.931 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429841956 878473197 /nfs/dbraw/zinc/47/31/97/878473197.db2.gz YJZAXXJIOKLTML-UHFFFAOYSA-N -1 3 398.750 3.570 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000537903186 878508328 /nfs/dbraw/zinc/50/83/28/878508328.db2.gz MAMWPEXFGMZIKB-UHFFFAOYSA-N -1 3 389.795 3.974 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c2ccccc12 ZINC000180156332 878573696 /nfs/dbraw/zinc/57/36/96/878573696.db2.gz OGYWJHUJLGOIHB-UHFFFAOYSA-N -1 3 383.473 3.665 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1 ZINC000460822451 878623727 /nfs/dbraw/zinc/62/37/27/878623727.db2.gz LQXMKVVCMUBNMS-UHFFFAOYSA-N -1 3 376.478 3.647 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000538011384 878672247 /nfs/dbraw/zinc/67/22/47/878672247.db2.gz NDKRQGCSMAPZOY-LJQANCHMSA-N -1 3 391.489 3.832 20 0 GHADHM CC[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)Oc1ccccc1Cl ZINC000177381945 878680921 /nfs/dbraw/zinc/68/09/21/878680921.db2.gz NEKUPAAENJLGKK-CYBMUJFWSA-N -1 3 391.899 3.617 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cccc2cccnc21 ZINC000177383515 878682583 /nfs/dbraw/zinc/68/25/83/878682583.db2.gz ADCMXGQJZHKKFN-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(Oc2ccccc2)cn1 ZINC000537999640 878690340 /nfs/dbraw/zinc/69/03/40/878690340.db2.gz CPYXRTNOIBTOOL-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2sc(Br)cc2C1 ZINC000772731885 878746425 /nfs/dbraw/zinc/74/64/25/878746425.db2.gz YCEBZJYEFAPNAW-UHFFFAOYSA-N -1 3 396.310 3.637 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cnn(C(C)C)c2)sc1Br ZINC000530956559 878840942 /nfs/dbraw/zinc/84/09/42/878840942.db2.gz YQHQDOSGCMAOHK-SNVBAGLBSA-N -1 3 392.344 3.636 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1[O-] ZINC000530955036 878841077 /nfs/dbraw/zinc/84/10/77/878841077.db2.gz WNYLPQQUABSFAF-QGZVFWFLSA-N -1 3 395.503 3.937 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CC)c2nc(-c3ccccc3)c[nH]2)s1 ZINC000460950692 878849674 /nfs/dbraw/zinc/84/96/74/878849674.db2.gz RGISWWMEYSYDHW-ZDUSSCGKSA-N -1 3 376.507 3.525 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000178403122 879107752 /nfs/dbraw/zinc/10/77/52/879107752.db2.gz FNKNXBKZPKJEEO-UHFFFAOYSA-N -1 3 381.501 3.940 20 0 GHADHM O=S(=O)([N-]CC1(CCO)CCCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000538264930 879110347 /nfs/dbraw/zinc/11/03/47/879110347.db2.gz HFLHWSADMOIXQY-UHFFFAOYSA-N -1 3 399.862 3.970 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cs2)cc1 ZINC000616827033 879134140 /nfs/dbraw/zinc/13/41/40/879134140.db2.gz XWZISCFRIDPMLP-QGZVFWFLSA-N -1 3 382.489 3.550 20 0 GHADHM O=C(NCCc1ccc(Cl)s1)NCc1ccc([O-])c(Br)c1 ZINC000178519048 879138070 /nfs/dbraw/zinc/13/80/70/879138070.db2.gz FXVVYXPVWNDTRN-UHFFFAOYSA-N -1 3 389.702 3.912 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)(F)F)c2)cc1 ZINC000452213604 879147416 /nfs/dbraw/zinc/14/74/16/879147416.db2.gz UIFLPINAIHJPSJ-UHFFFAOYSA-N -1 3 396.459 3.879 20 0 GHADHM CC(F)(F)CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000452216991 879156236 /nfs/dbraw/zinc/15/62/36/879156236.db2.gz SMZPBFHSOBFZBR-UHFFFAOYSA-N -1 3 393.615 3.719 20 0 GHADHM COc1nc(Br)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000789876548 879309877 /nfs/dbraw/zinc/30/98/77/879309877.db2.gz GCTFPEXBWSILHS-UHFFFAOYSA-N -1 3 383.217 3.659 20 0 GHADHM Cc1cnc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c(C)c1 ZINC000789868195 879326287 /nfs/dbraw/zinc/32/62/87/879326287.db2.gz MPMJKRJFDQPENC-UHFFFAOYSA-N -1 3 397.236 3.963 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(F)cc1OC(C)C)OCC ZINC001212289688 879362141 /nfs/dbraw/zinc/36/21/41/879362141.db2.gz CKRBGHHYLPEUTL-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)c1 ZINC001212289393 879374055 /nfs/dbraw/zinc/37/40/55/879374055.db2.gz YVYDYCHNAONUSP-IBGZPJMESA-N -1 3 397.512 3.948 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccc(Cl)cc1Br ZINC000542465498 879414902 /nfs/dbraw/zinc/41/49/02/879414902.db2.gz DBBADTURFOXOTQ-UHFFFAOYSA-N -1 3 388.661 3.959 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000790270321 879581864 /nfs/dbraw/zinc/58/18/64/879581864.db2.gz JDGQZIOLADFPFD-WBVHZDCISA-N -1 3 390.528 3.663 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2C)c1 ZINC000461330581 879589476 /nfs/dbraw/zinc/58/94/76/879589476.db2.gz IGIVVXNHCDCYMY-UHFFFAOYSA-N -1 3 387.395 3.627 20 0 GHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1Cl ZINC000181100735 879718432 /nfs/dbraw/zinc/71/84/32/879718432.db2.gz HEUWOZLJVXBNCY-HNNXBMFYSA-N -1 3 378.819 3.795 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)sc1C ZINC000493895842 879725680 /nfs/dbraw/zinc/72/56/80/879725680.db2.gz AQZYWITYIYMFAI-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1Cl ZINC000790475110 879746486 /nfs/dbraw/zinc/74/64/86/879746486.db2.gz NIQNQVIJOCWYFY-UHFFFAOYSA-N -1 3 394.802 3.947 20 0 GHADHM CCC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)sc2C1 ZINC001183416003 912502189 /nfs/dbraw/zinc/50/21/89/912502189.db2.gz WGJQKWBRTZWFCZ-GFCCVEGCSA-N -1 3 397.500 3.820 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000854579718 879920248 /nfs/dbraw/zinc/92/02/48/879920248.db2.gz RWKQBFQYSCCCJW-CYBMUJFWSA-N -1 3 385.489 3.525 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccn(Cc2ccccc2)c1=O ZINC000531492694 879963804 /nfs/dbraw/zinc/96/38/04/879963804.db2.gz LLIDYWVHOODANW-UHFFFAOYSA-N -1 3 399.244 3.617 20 0 GHADHM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2c(C)c(Br)ccc2[O-])cc1 ZINC000452747270 879969983 /nfs/dbraw/zinc/96/99/83/879969983.db2.gz HVUOIDXESXEZNF-APPDUMDISA-N -1 3 378.266 3.875 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C2)c1 ZINC000854682173 880001629 /nfs/dbraw/zinc/00/16/29/880001629.db2.gz HVWFIWAOECKNSG-IBGZPJMESA-N -1 3 398.500 3.535 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000854890575 880122629 /nfs/dbraw/zinc/12/26/29/880122629.db2.gz KSWRAQVNSSGHMT-XJKSGUPXSA-N -1 3 392.521 3.586 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000855123971 880285430 /nfs/dbraw/zinc/28/54/30/880285430.db2.gz YVIYZHVMMHTHSZ-QFIPXVFZSA-N -1 3 391.467 3.806 20 0 GHADHM COc1ccc(NC(=O)c2cc3sccc3c([O-])c2)c(C(=O)NC2CC2)c1 ZINC000791357211 880369024 /nfs/dbraw/zinc/36/90/24/880369024.db2.gz OGFMCYZDCDOPCQ-UHFFFAOYSA-N -1 3 382.441 3.760 20 0 GHADHM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791357218 880369250 /nfs/dbraw/zinc/36/92/50/880369250.db2.gz OIXDYBMBRQIBMY-NSHDSACASA-N -1 3 388.518 3.527 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc2sccc2c([O-])c1 ZINC000791360879 880369821 /nfs/dbraw/zinc/36/98/21/880369821.db2.gz UJBZROBTGJXPIT-CQSZACIVSA-N -1 3 386.860 3.796 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000184818974 880388207 /nfs/dbraw/zinc/38/82/07/880388207.db2.gz IVBFZFGRMGCSMH-MRXNPFEDSA-N -1 3 386.498 3.804 20 0 GHADHM CO[C@@](C)(CNC(=O)c1cc2sccc2c([O-])c1)COCc1ccccc1 ZINC000855400479 880505522 /nfs/dbraw/zinc/50/55/22/880505522.db2.gz XPEUIEMAPRULFQ-NRFANRHFSA-N -1 3 385.485 3.959 20 0 GHADHM C[C@@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1(F)F ZINC000643279713 912600747 /nfs/dbraw/zinc/60/07/47/912600747.db2.gz DPODORFSNFTCMJ-ZDUSSCGKSA-N -1 3 382.168 3.581 20 0 GHADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000185976830 880746162 /nfs/dbraw/zinc/74/61/62/880746162.db2.gz SYHUVCIFJIVWPB-UWVGGRQHSA-N -1 3 388.695 3.754 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1OCC(=O)NC ZINC000792066714 880878516 /nfs/dbraw/zinc/87/85/16/880878516.db2.gz QQZWYYUZJFQOSE-IBGZPJMESA-N -1 3 392.455 3.551 20 0 GHADHM Cc1c([O-])ccc2c(CSc3nnc(-c4cccs4)n3C)cc(=O)oc12 ZINC000010710225 880894586 /nfs/dbraw/zinc/89/45/86/880894586.db2.gz KJKFGAMFTHNXOS-UHFFFAOYSA-N -1 3 385.470 3.956 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000856136800 880985165 /nfs/dbraw/zinc/98/51/65/880985165.db2.gz LDJLJJVCWHPSAM-CYBMUJFWSA-N -1 3 398.290 3.558 20 0 GHADHM CO[C@@H](C)c1nc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cs1 ZINC000186838081 881001276 /nfs/dbraw/zinc/00/12/76/881001276.db2.gz HXYTTYDFOFVDAK-LBPRGKRZSA-N -1 3 377.491 3.523 20 0 GHADHM CO[C@@H](C)c1nc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cs1 ZINC000186838081 881001293 /nfs/dbraw/zinc/00/12/93/881001293.db2.gz HXYTTYDFOFVDAK-LBPRGKRZSA-N -1 3 377.491 3.523 20 0 GHADHM CN(CCC[N-]C(=O)C(F)(F)F)Cc1ccc(Br)cc1Cl ZINC000792416107 881115893 /nfs/dbraw/zinc/11/58/93/881115893.db2.gz VAWSSHIPGVGTPQ-UHFFFAOYSA-N -1 3 387.627 3.603 20 0 GHADHM CC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(OC)cc1 ZINC000640291825 881150903 /nfs/dbraw/zinc/15/09/03/881150903.db2.gz DIBKSQNTKLYKRT-CYBMUJFWSA-N -1 3 390.793 3.802 20 0 GHADHM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275208954 912649677 /nfs/dbraw/zinc/64/96/77/912649677.db2.gz IZQRPCDYIVEEEF-KUHUBIRLSA-N -1 3 395.341 3.910 20 0 GHADHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc([O-])c1Br ZINC001275210302 912656073 /nfs/dbraw/zinc/65/60/73/912656073.db2.gz RRBXAGQNEQKQBR-BPLDGKMQSA-N -1 3 381.314 3.519 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(F)c(C(=O)CC)c2)c(C(=O)OCC)[n-]1 ZINC000792556887 881191208 /nfs/dbraw/zinc/19/12/08/881191208.db2.gz ZFTACDALCOKRPN-UHFFFAOYSA-N -1 3 389.427 3.913 20 0 GHADHM c1sc(-c2ccccn2)nc1C[N-]c1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000181753206 883182304 /nfs/dbraw/zinc/18/23/04/883182304.db2.gz KLDHCJQJEGBPEW-MRXNPFEDSA-N -1 3 377.429 3.876 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000195341863 883287923 /nfs/dbraw/zinc/28/79/23/883287923.db2.gz HEEZZSJCHBYBGI-QGZVFWFLSA-N -1 3 390.487 3.601 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000477073759 883661228 /nfs/dbraw/zinc/66/12/28/883661228.db2.gz HELIPVAYMZUYHA-UONOGXRCSA-N -1 3 391.924 3.786 20 0 GHADHM C[C@H](c1cccnc1)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000542502726 883690674 /nfs/dbraw/zinc/69/06/74/883690674.db2.gz QGKLGHUNGKNVBP-LLVKDONJSA-N -1 3 391.349 3.655 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)s1 ZINC000477147549 883790109 /nfs/dbraw/zinc/79/01/09/883790109.db2.gz CARXADLRYFQTJZ-UHFFFAOYSA-N -1 3 395.369 3.877 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4c(ncn4-c4ccccc4)C3)nc2)n1 ZINC000477157751 883820347 /nfs/dbraw/zinc/82/03/47/883820347.db2.gz GESGBTIAGSVIJX-UHFFFAOYSA-N -1 3 398.470 3.555 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nccn2-c2ccccc2)cc1[O-] ZINC000805481980 883848748 /nfs/dbraw/zinc/84/87/48/883848748.db2.gz UDSSXXMSHKZDRF-CYBMUJFWSA-N -1 3 381.388 3.674 20 0 GHADHM O=C(CNC(=O)c1cc2c(s1)CCCC2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476125261 883996232 /nfs/dbraw/zinc/99/62/32/883996232.db2.gz ABXGRGPQFRLKQE-UHFFFAOYSA-N -1 3 398.406 3.720 20 0 GHADHM C[C@H](Cc1cncc2ccccc21)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000805679156 884001963 /nfs/dbraw/zinc/00/19/63/884001963.db2.gz XAMURLKATAFZCQ-CQSZACIVSA-N -1 3 389.411 3.912 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)c(=O)[n-]1 ZINC000760368375 884008973 /nfs/dbraw/zinc/00/89/73/884008973.db2.gz XBDITONZABLUQP-CYBMUJFWSA-N -1 3 383.231 3.715 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000102648811 884033074 /nfs/dbraw/zinc/03/30/74/884033074.db2.gz IMWDEIQFIMFSBX-QGZVFWFLSA-N -1 3 393.409 3.702 20 0 GHADHM CSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000914601850 884287408 /nfs/dbraw/zinc/28/74/08/884287408.db2.gz AGTURMHPCITDQP-UHFFFAOYSA-N -1 3 396.509 3.877 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000227904115 884319381 /nfs/dbraw/zinc/31/93/81/884319381.db2.gz GFDWSMMIEIHKKW-XJKSGUPXSA-N -1 3 389.293 3.720 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000193434382 884512976 /nfs/dbraw/zinc/51/29/76/884512976.db2.gz DIMIXHKDKUXIOP-UHFFFAOYSA-N -1 3 394.858 3.917 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1)[N-]c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000914689182 884531796 /nfs/dbraw/zinc/53/17/96/884531796.db2.gz MIOMWVSHOQJDJW-PFONDFGASA-N -1 3 391.514 3.816 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000032590181 884570620 /nfs/dbraw/zinc/57/06/20/884570620.db2.gz GGLLXOOGFAPXAY-UHFFFAOYSA-N -1 3 391.493 3.724 20 0 GHADHM Cc1cccc2[nH]c(CNC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)nc21 ZINC000498494632 884579768 /nfs/dbraw/zinc/57/97/68/884579768.db2.gz BHZWHFQFWZYYOR-UHFFFAOYSA-N -1 3 388.431 3.664 20 0 GHADHM C[C@H](OCCCNC(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000918939665 884626138 /nfs/dbraw/zinc/62/61/38/884626138.db2.gz IYPSQWXNBXYYPL-AWEZNQCLSA-N -1 3 386.473 3.670 20 0 GHADHM O=C(OCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cc2ccsc2[n-]1 ZINC000918940148 884627929 /nfs/dbraw/zinc/62/79/29/884627929.db2.gz WTBGCMNWKDCXRS-UHFFFAOYSA-N -1 3 393.350 3.581 20 0 GHADHM CCOC(=O)c1nc([N-][C@@H](c2ccccn2)C(F)(F)F)nc2ccccc21 ZINC001168479042 884688874 /nfs/dbraw/zinc/68/88/74/884688874.db2.gz RIUOGFOYAYFHRD-HNNXBMFYSA-N -1 3 376.338 3.917 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F)c1ccccn1 ZINC000795822474 912857081 /nfs/dbraw/zinc/85/70/81/912857081.db2.gz GOBJYJDNBUJVPZ-QGZVFWFLSA-N -1 3 394.468 3.526 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2F)c2ccccc2F)c(=O)[n-]1 ZINC000105585647 884815868 /nfs/dbraw/zinc/81/58/68/884815868.db2.gz UXRJUCDBZAOVMP-UHFFFAOYSA-N -1 3 397.425 3.831 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccccc2)c1 ZINC000542613519 884820572 /nfs/dbraw/zinc/82/05/72/884820572.db2.gz UDWWIWRPZUUOPM-SFHVURJKSA-N -1 3 377.400 3.528 20 0 GHADHM COc1ccc(-c2nnc(SCc3nc(C)cc(=O)[n-]3)n2CC(C)C)cc1 ZINC000761853478 884882484 /nfs/dbraw/zinc/88/24/84/884882484.db2.gz RYJOIOWVFAZQOD-UHFFFAOYSA-N -1 3 385.493 3.706 20 0 GHADHM Cc1ccc(C(=O)C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c(C)c1 ZINC000053475299 885083487 /nfs/dbraw/zinc/08/34/87/885083487.db2.gz PGAPTRQKAJILRQ-UHFFFAOYSA-N -1 3 388.467 3.880 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(C)(C)Cc2ccccc2C(F)(F)F)[n-]n1 ZINC001183945486 912897739 /nfs/dbraw/zinc/89/77/39/912897739.db2.gz WHUBLEYDETXTQV-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(C)(C)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC001183945486 912897751 /nfs/dbraw/zinc/89/77/51/912897751.db2.gz WHUBLEYDETXTQV-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOc1c(Cl)cc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1OC ZINC000747363233 885107146 /nfs/dbraw/zinc/10/71/46/885107146.db2.gz CRHUFVJLXSBFJI-UHFFFAOYSA-N -1 3 393.871 3.605 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(F)cc2)ccc1F ZINC000914939322 885245542 /nfs/dbraw/zinc/24/55/42/885245542.db2.gz NSQYCPHOZXVMDS-GFCCVEGCSA-N -1 3 383.416 3.570 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000747379184 885326959 /nfs/dbraw/zinc/32/69/59/885326959.db2.gz UIVQHQPWKKIKSU-UONOGXRCSA-N -1 3 390.281 3.662 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCC[C@H]3c3cccs3)n[n-]2)o1 ZINC000919326674 885336821 /nfs/dbraw/zinc/33/68/21/885336821.db2.gz AYNKEXMBLSBJCH-BBRMVZONSA-N -1 3 399.472 3.949 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCC[C@H]3c3cccs3)[n-]n2)o1 ZINC000919326674 885336841 /nfs/dbraw/zinc/33/68/41/885336841.db2.gz AYNKEXMBLSBJCH-BBRMVZONSA-N -1 3 399.472 3.949 20 0 GHADHM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1C ZINC000919324270 885379670 /nfs/dbraw/zinc/37/96/70/885379670.db2.gz FELCATMORGOPFB-ZDUSSCGKSA-N -1 3 399.447 3.644 20 0 GHADHM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1C ZINC000919324270 885379688 /nfs/dbraw/zinc/37/96/88/885379688.db2.gz FELCATMORGOPFB-ZDUSSCGKSA-N -1 3 399.447 3.644 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2c([O-])cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000130960402 885381508 /nfs/dbraw/zinc/38/15/08/885381508.db2.gz MRKRKEVASPIOJI-SGTLLEGYSA-N -1 3 380.822 3.747 20 0 GHADHM CCCCC1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000303127712 885462033 /nfs/dbraw/zinc/46/20/33/885462033.db2.gz REIWQXQHKUSHPE-UHFFFAOYSA-N -1 3 392.974 3.545 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000747403383 885542829 /nfs/dbraw/zinc/54/28/29/885542829.db2.gz YPPVMJLNTOXBKH-CQSZACIVSA-N -1 3 388.443 3.596 20 0 GHADHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cncc(Br)c1 ZINC000044244031 885585392 /nfs/dbraw/zinc/58/53/92/885585392.db2.gz GEISHBICHLHPHL-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1nnc2ccccc2c1[O-] ZINC000118338428 885627761 /nfs/dbraw/zinc/62/77/61/885627761.db2.gz RHGBBGJKJRSHCW-UHFFFAOYSA-N -1 3 381.395 3.719 20 0 GHADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000303769632 885715733 /nfs/dbraw/zinc/71/57/33/885715733.db2.gz GVAGUVFHKPOPHY-SECBINFHSA-N -1 3 392.315 3.868 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)nn1 ZINC000131293119 885818026 /nfs/dbraw/zinc/81/80/26/885818026.db2.gz RTWBFQCLHYFUGI-UHFFFAOYSA-N -1 3 376.873 3.748 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)c(Cl)c1)c1ccc(C(F)F)cc1 ZINC000808087904 886008363 /nfs/dbraw/zinc/00/83/63/886008363.db2.gz ZSRWFEPKBDVXSS-UHFFFAOYSA-N -1 3 384.795 3.659 20 0 GHADHM CCON(CC1CCCCC1)C(=O)c1cnc2cc(OC)cc(OC)c2c1[O-] ZINC000861939249 886012377 /nfs/dbraw/zinc/01/23/77/886012377.db2.gz KPGBIKXJMRHECH-UHFFFAOYSA-N -1 3 388.464 3.519 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c(C)c1 ZINC000055587130 886090073 /nfs/dbraw/zinc/09/00/73/886090073.db2.gz OWFHDGKUDWIRGT-UHFFFAOYSA-N -1 3 384.457 3.778 20 0 GHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000131490711 886148193 /nfs/dbraw/zinc/14/81/93/886148193.db2.gz UTYXUSISYVCZEO-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM O=c1nc(CN2CCc3cc(F)ccc3C2)[n-]c2scc(-c3ccco3)c21 ZINC000119000688 886326087 /nfs/dbraw/zinc/32/60/87/886326087.db2.gz NWIOBPGFVMEVOV-UHFFFAOYSA-N -1 3 381.432 3.942 20 0 GHADHM CSc1nc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n[n-]1 ZINC000499042698 886469429 /nfs/dbraw/zinc/46/94/29/886469429.db2.gz FLPHQWNZJRLKEZ-UHFFFAOYSA-N -1 3 393.881 3.746 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)c1[O-] ZINC000556894111 886489012 /nfs/dbraw/zinc/48/90/12/886489012.db2.gz NBSVVQMPTCFIHY-UHFFFAOYSA-N -1 3 383.379 3.664 20 0 GHADHM C[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(F)cc1F ZINC000640290752 886626899 /nfs/dbraw/zinc/62/68/99/886626899.db2.gz SCSZIEOSTMAGBJ-SSDOTTSWSA-N -1 3 382.720 3.682 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)c1 ZINC000499076161 886635715 /nfs/dbraw/zinc/63/57/15/886635715.db2.gz KOTNDTXCJNRHEF-UHFFFAOYSA-N -1 3 381.388 3.552 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)c3nnc(-c4ccc(C)cc4)o3)n[n-]c21 ZINC000808677216 886677371 /nfs/dbraw/zinc/67/73/71/886677371.db2.gz ZVKTVOOVHRKJDG-GFCCVEGCSA-N -1 3 378.388 3.848 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000808677216 886677383 /nfs/dbraw/zinc/67/73/83/886677383.db2.gz ZVKTVOOVHRKJDG-GFCCVEGCSA-N -1 3 378.388 3.848 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC(F)(F)F ZINC000915484449 886781214 /nfs/dbraw/zinc/78/12/14/886781214.db2.gz JLPMSRMIBIQQKY-INIZCTEOSA-N -1 3 381.350 3.749 20 0 GHADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000809287798 887274234 /nfs/dbraw/zinc/27/42/34/887274234.db2.gz JDJHXHNULYKLAG-UKRRQHHQSA-N -1 3 396.528 3.553 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nc(-c3ccccc3)no2)c(Br)n1 ZINC000863864410 887425212 /nfs/dbraw/zinc/42/52/12/887425212.db2.gz DGBFRDGEXKNGBL-UHFFFAOYSA-N -1 3 390.241 3.703 20 0 GHADHM CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459332253 887446454 /nfs/dbraw/zinc/44/64/54/887446454.db2.gz XOOOHCYRGSZJJS-CYBMUJFWSA-N -1 3 383.330 3.527 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1 ZINC000532670935 887531096 /nfs/dbraw/zinc/53/10/96/887531096.db2.gz CVPYLWUSIHLTCW-MRXNPFEDSA-N -1 3 384.476 3.689 20 0 GHADHM O=C(NC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1)C1CCCCC1 ZINC000459356930 887660833 /nfs/dbraw/zinc/66/08/33/887660833.db2.gz RBFZRYOXSTZUJD-UHFFFAOYSA-N -1 3 394.519 3.510 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(CNCc2ccccc2CC(=O)[O-])c1 ZINC000864504600 887808442 /nfs/dbraw/zinc/80/84/42/887808442.db2.gz KCPGEVABQJAKDV-UHFFFAOYSA-N -1 3 384.476 3.628 20 0 GHADHM CC(C)=CCSC[C@H](NCc1cccc(F)c1OC(F)(F)F)C(=O)[O-] ZINC000864512230 887816629 /nfs/dbraw/zinc/81/66/29/887816629.db2.gz CSLKPSWQMIBRNF-ZDUSSCGKSA-N -1 3 381.391 3.967 20 0 GHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000864528697 887830626 /nfs/dbraw/zinc/83/06/26/887830626.db2.gz SFGMCJGJBGGGRO-NRFANRHFSA-N -1 3 380.488 3.791 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000242855090 887954161 /nfs/dbraw/zinc/95/41/61/887954161.db2.gz GBXICOGOZWRDSX-UHFFFAOYSA-N -1 3 399.708 3.625 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000055652217 888226263 /nfs/dbraw/zinc/22/62/63/888226263.db2.gz XPOZMRITFYEGRC-UHFFFAOYSA-N -1 3 379.478 3.608 20 0 GHADHM COc1ccccc1CN(OC)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000810162747 888253130 /nfs/dbraw/zinc/25/31/30/888253130.db2.gz BNMUOGKQZAQXFJ-UHFFFAOYSA-N -1 3 394.431 3.762 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cccc3ccsc32)C1)C(F)(F)F ZINC000810197938 888284783 /nfs/dbraw/zinc/28/47/83/888284783.db2.gz AWGHYUFFCCLXME-NSHDSACASA-N -1 3 385.411 3.824 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000055997282 888344388 /nfs/dbraw/zinc/34/43/88/888344388.db2.gz OSVXODVZKRECHA-LBPRGKRZSA-N -1 3 385.261 3.652 20 0 GHADHM CN(C)C(=O)NCCc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000865706880 888528242 /nfs/dbraw/zinc/52/82/42/888528242.db2.gz JVBCBILKHKXMTJ-UHFFFAOYSA-N -1 3 392.297 3.581 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)ccc1F ZINC000747606672 888562268 /nfs/dbraw/zinc/56/22/68/888562268.db2.gz JJZVEQBBGHDJEQ-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC001184523730 913258038 /nfs/dbraw/zinc/25/80/38/913258038.db2.gz JDGXDAFKLPDFMA-UHFFFAOYSA-N -1 3 392.290 3.766 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000794873257 888614361 /nfs/dbraw/zinc/61/43/61/888614361.db2.gz YWJBYKBNEBOKTF-RYUDHWBXSA-N -1 3 377.510 3.548 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123599553 913266760 /nfs/dbraw/zinc/26/67/60/913266760.db2.gz IXIYKKDAXNBGQG-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123599553 913266789 /nfs/dbraw/zinc/26/67/89/913266789.db2.gz IXIYKKDAXNBGQG-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM CC(=O)CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000153960056 888961893 /nfs/dbraw/zinc/96/18/93/888961893.db2.gz YZYFGMBEFDFUBV-QGZVFWFLSA-N -1 3 380.916 3.522 20 0 GHADHM COc1ccccc1-c1ccc([C@@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866628612 888980814 /nfs/dbraw/zinc/98/08/14/888980814.db2.gz PYIDKJBBCKXTNW-OAHLLOKOSA-N -1 3 391.471 3.781 20 0 GHADHM CC[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCC(C)CC1 ZINC000810897847 889005356 /nfs/dbraw/zinc/00/53/56/889005356.db2.gz BUQGZPWYPFNSLV-GRAKBVBRSA-N -1 3 376.463 3.756 20 0 GHADHM Cc1cc(C)c(/C=C\C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000810904987 889013526 /nfs/dbraw/zinc/01/35/26/889013526.db2.gz MBSHREBFWVQGPW-MWWKQMNYSA-N -1 3 382.426 3.542 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc4n[nH]cc4c3)nc(=O)c2c1C ZINC000796119193 913312505 /nfs/dbraw/zinc/31/25/05/913312505.db2.gz CXFQIXNCKZDNTG-SNVBAGLBSA-N -1 3 382.445 3.737 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)N3CCCc4c(=O)[n-]cnc43)c2)c1 ZINC001132573365 889123421 /nfs/dbraw/zinc/12/34/21/889123421.db2.gz RGYIWULENWHOGC-UHFFFAOYSA-N -1 3 375.428 3.663 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c(C)cn1 ZINC000533009735 889505968 /nfs/dbraw/zinc/50/59/68/889505968.db2.gz YBZWKRKPUBKBOS-UHFFFAOYSA-N -1 3 392.427 3.718 20 0 GHADHM COC(=O)c1cccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394563 889536217 /nfs/dbraw/zinc/53/62/17/889536217.db2.gz VRZCXBAJZQUUTF-UHFFFAOYSA-N -1 3 377.805 3.709 20 0 GHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCCc1ccc(F)cc1 ZINC000811396513 889537348 /nfs/dbraw/zinc/53/73/48/889537348.db2.gz PWXVKSXULPNZQB-SNVBAGLBSA-N -1 3 394.855 3.926 20 0 GHADHM CCCO[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(F)cc1C ZINC001127417237 889699544 /nfs/dbraw/zinc/69/95/44/889699544.db2.gz RUOCOBUWKRVKRM-SFHVURJKSA-N -1 3 399.422 3.903 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000811683160 889871311 /nfs/dbraw/zinc/87/13/11/889871311.db2.gz PYYTYXGGULXXJP-UHFFFAOYSA-N -1 3 395.843 3.612 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)on2)cc1 ZINC000064342139 889911710 /nfs/dbraw/zinc/91/17/10/889911710.db2.gz XWNJZXRNRQAYAC-UHFFFAOYSA-N -1 3 386.411 3.961 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(F)c(Cl)c3)cc2)n1 ZINC000064342056 889912123 /nfs/dbraw/zinc/91/21/23/889912123.db2.gz OIHAJQDUVYQKAV-UHFFFAOYSA-N -1 3 387.798 3.555 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000125246962 889922932 /nfs/dbraw/zinc/92/29/32/889922932.db2.gz ZGAOEHLOVUSZQD-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000125246962 889922937 /nfs/dbraw/zinc/92/29/37/889922937.db2.gz ZGAOEHLOVUSZQD-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000125265934 889931673 /nfs/dbraw/zinc/93/16/73/889931673.db2.gz KWRNJMQXQSXNBB-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000125265934 889931680 /nfs/dbraw/zinc/93/16/80/889931680.db2.gz KWRNJMQXQSXNBB-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=S(=O)(C=Cc1ccc(Br)cc1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811831634 890016788 /nfs/dbraw/zinc/01/67/88/890016788.db2.gz BVSRRYAXKWOPQH-AATRIKPKSA-N -1 3 396.188 3.604 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000811838284 890024360 /nfs/dbraw/zinc/02/43/60/890024360.db2.gz BYAMCCFLPYUVNC-UHFFFAOYSA-N -1 3 384.454 3.917 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCC2)C1)C(F)(F)F ZINC000811874795 890068195 /nfs/dbraw/zinc/06/81/95/890068195.db2.gz PINXIOKOMBYFQD-WMLDXEAASA-N -1 3 397.441 3.628 20 0 GHADHM CCc1cc(=O)[n-]c(CSCc2cn3cc(Br)ccc3n2)n1 ZINC000125676056 890074182 /nfs/dbraw/zinc/07/41/82/890074182.db2.gz NJLVHZIEQSPFNI-UHFFFAOYSA-N -1 3 379.283 3.588 20 0 GHADHM CC(C)(CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1=CCCCC1 ZINC000811905003 890108367 /nfs/dbraw/zinc/10/83/67/890108367.db2.gz SYYLEGYRFJRFLT-CQSZACIVSA-N -1 3 389.462 3.613 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c(=O)[n-]1 ZINC000125801552 890159306 /nfs/dbraw/zinc/15/93/06/890159306.db2.gz SJEGIHYAZVTDCQ-UHFFFAOYSA-N -1 3 381.407 3.889 20 0 GHADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000533263371 890163908 /nfs/dbraw/zinc/16/39/08/890163908.db2.gz YWEOAHOHIIPKHL-SIKLNZKXSA-N -1 3 376.456 3.957 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274902 890492934 /nfs/dbraw/zinc/49/29/34/890492934.db2.gz LVPCVNKIZORYRI-ZMSDIMECSA-N -1 3 384.442 3.733 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001184819249 913459127 /nfs/dbraw/zinc/45/91/27/913459127.db2.gz DDWMCFGVJGIVHK-UHFFFAOYSA-N -1 3 389.209 3.756 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000812330515 890539670 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CC[C@H](C)[C@H](C)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788627 893305283 /nfs/dbraw/zinc/30/52/83/893305283.db2.gz FGXJDBJRUKTVMK-IUCAKERBSA-N -1 3 382.258 3.733 20 0 GHADHM CN(C)c1ccc(C2(C(=O)Nc3ccc(Br)cc3[O-])CC2)cc1 ZINC000815007574 893331067 /nfs/dbraw/zinc/33/10/67/893331067.db2.gz ASWPXXPIWXIENH-UHFFFAOYSA-N -1 3 375.266 3.891 20 0 GHADHM O=c1[n-]c(CNC2(c3ccc4c(c3)OCCO4)CC2)nc2c3ccccc3oc21 ZINC000934001223 893348985 /nfs/dbraw/zinc/34/89/85/893348985.db2.gz ZHAHGJWKEJLMFK-UHFFFAOYSA-N -1 3 389.411 3.632 20 0 GHADHM CN1CCCc2ccc(S(=O)(=O)[N-]c3c(F)cccc3N3CCCC3)cc21 ZINC000126197328 893353974 /nfs/dbraw/zinc/35/39/74/893353974.db2.gz BANRTELHQPRECC-UHFFFAOYSA-N -1 3 389.496 3.609 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cn3c(Br)cnc3s2)s1 ZINC000815084462 893431597 /nfs/dbraw/zinc/43/15/97/893431597.db2.gz IKRMSSXGBAAZKT-UHFFFAOYSA-N -1 3 386.300 3.605 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N)cc1[O-] ZINC000877068067 893466174 /nfs/dbraw/zinc/46/61/74/893466174.db2.gz PWAVQTUQDMJCSK-WCQYABFASA-N -1 3 375.266 3.755 20 0 GHADHM O=C(COC[C@H]1CCCO1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129505420 893523699 /nfs/dbraw/zinc/52/36/99/893523699.db2.gz SSLJJFQMKKMFKM-CQSZACIVSA-N -1 3 384.457 3.803 20 0 GHADHM O=c1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)nc(-c2ccccc2)[n-]1 ZINC000459493100 893665792 /nfs/dbraw/zinc/66/57/92/893665792.db2.gz XXDGJSYGVLASAB-NRFANRHFSA-N -1 3 375.472 3.843 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c1[O-] ZINC000563464782 893768107 /nfs/dbraw/zinc/76/81/07/893768107.db2.gz HAFDPFLGIVJQPY-UHFFFAOYSA-N -1 3 384.432 3.962 20 0 GHADHM O=C(C[C@@H]1CC=CCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000934703284 893831415 /nfs/dbraw/zinc/83/14/15/893831415.db2.gz GVYXIPCKXSJKFU-CQSZACIVSA-N -1 3 376.884 3.969 20 0 GHADHM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2ccncc2C)cc1Cl ZINC000288573839 913810051 /nfs/dbraw/zinc/81/00/51/913810051.db2.gz KYGZFIOWUAKQHA-UHFFFAOYSA-N -1 3 391.276 3.523 20 0 GHADHM CCc1ncnc(CC)c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000815434121 893861409 /nfs/dbraw/zinc/86/14/09/893861409.db2.gz SNVMQLMYLPGNBL-JTQLQIEISA-N -1 3 386.477 3.847 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000536899029 894002658 /nfs/dbraw/zinc/00/26/58/894002658.db2.gz ASGGMVQPUWCBDI-UHFFFAOYSA-N -1 3 376.478 3.932 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000129886796 894031783 /nfs/dbraw/zinc/03/17/83/894031783.db2.gz MZOAJDKQYNGNOD-BMGDILEWSA-N -1 3 387.277 3.682 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3cccc(F)c3)cc2)o1 ZINC000536895838 894051715 /nfs/dbraw/zinc/05/17/15/894051715.db2.gz DKBVMVKFCZWGSG-UHFFFAOYSA-N -1 3 375.421 3.785 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1Cl ZINC000536904110 894079095 /nfs/dbraw/zinc/07/90/95/894079095.db2.gz HBBWADHLLCZSRG-UHFFFAOYSA-N -1 3 382.869 3.886 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2cc(Cl)ccc2[O-])CCOCC1 ZINC000935017542 894120625 /nfs/dbraw/zinc/12/06/25/894120625.db2.gz OHNXXCXHKNWNQM-LBPRGKRZSA-N -1 3 398.887 3.694 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H](Cc3csc4ccccc34)C2)nc2c1COCC2 ZINC000878439992 894292826 /nfs/dbraw/zinc/29/28/26/894292826.db2.gz AJBJJWIHDRXDRN-HNNXBMFYSA-N -1 3 395.528 3.924 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccccc2NC(=O)c2ccccc2)c[n-]1 ZINC000815929291 894307560 /nfs/dbraw/zinc/30/75/60/894307560.db2.gz GVQHVLHCDFDESX-AWEZNQCLSA-N -1 3 392.411 3.972 20 0 GHADHM COc1cccc2c1[C@H](C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)CC2 ZINC000815962609 894338668 /nfs/dbraw/zinc/33/86/68/894338668.db2.gz WAUFEWZOACBLFM-QGZVFWFLSA-N -1 3 376.412 3.802 20 0 GHADHM O=C(c1ccc(F)cc1)C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878528959 894361932 /nfs/dbraw/zinc/36/19/32/894361932.db2.gz ZVDVARZLYBZDOO-UHFFFAOYSA-N -1 3 381.407 3.676 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc(OC)c1 ZINC001135370621 894453773 /nfs/dbraw/zinc/45/37/73/894453773.db2.gz ZQUNTOWNRVDUSG-UHFFFAOYSA-N -1 3 379.438 3.760 20 0 GHADHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000537182198 894538966 /nfs/dbraw/zinc/53/89/66/894538966.db2.gz CNKADSBGLGTSHC-HWPZZCPQSA-N -1 3 375.824 3.673 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CSC(F)F)cc2)cc1 ZINC001135435513 894580283 /nfs/dbraw/zinc/58/02/83/894580283.db2.gz MOKYFPPKNAICHR-UHFFFAOYSA-N -1 3 386.445 3.690 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(C(F)F)ncn1 ZINC000935657766 894704744 /nfs/dbraw/zinc/70/47/44/894704744.db2.gz ZWDWKSVEHYADLV-GFCCVEGCSA-N -1 3 387.415 3.986 20 0 GHADHM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878949550 894744786 /nfs/dbraw/zinc/74/47/86/894744786.db2.gz GPUDAWCFBNXTIJ-SFHVURJKSA-N -1 3 383.423 3.933 20 0 GHADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)NC(=O)C1CCCCC1 ZINC000564271012 894798325 /nfs/dbraw/zinc/79/83/25/894798325.db2.gz VVBIQBPOTNNNCA-ZDUSSCGKSA-N -1 3 395.463 3.632 20 0 GHADHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2ccc(C)c(F)c2F)cc1 ZINC001185487832 913906253 /nfs/dbraw/zinc/90/62/53/913906253.db2.gz ZXYLSWFDDIESGL-UHFFFAOYSA-N -1 3 383.460 3.973 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCO1 ZINC000537388043 894878575 /nfs/dbraw/zinc/87/85/75/894878575.db2.gz ATDYDYWIFBIFPO-ZJUUUORDSA-N -1 3 398.688 3.668 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000816761888 895054178 /nfs/dbraw/zinc/05/41/78/895054178.db2.gz NTYYPUMKCJQFRY-MRVPVSSYSA-N -1 3 396.756 3.894 20 0 GHADHM C[C@@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000564570295 895090631 /nfs/dbraw/zinc/09/06/31/895090631.db2.gz LGMPZOVQCPHIDR-OXQOHEQNSA-N -1 3 390.499 3.530 20 0 GHADHM C[C@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000564570292 895090861 /nfs/dbraw/zinc/09/08/61/895090861.db2.gz LGMPZOVQCPHIDR-JXFKEZNVSA-N -1 3 390.499 3.530 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000816976689 895234373 /nfs/dbraw/zinc/23/43/73/895234373.db2.gz IKWXGSQIYONFNN-QMMMGPOBSA-N -1 3 387.661 3.652 20 0 GHADHM CC[C@H](C)CONC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000816976689 895234383 /nfs/dbraw/zinc/23/43/83/895234383.db2.gz IKWXGSQIYONFNN-QMMMGPOBSA-N -1 3 387.661 3.652 20 0 GHADHM Cn1cc([C@@H]2CN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2(C)C)cn1 ZINC000565198750 895454971 /nfs/dbraw/zinc/45/49/71/895454971.db2.gz HAQLDYMAASYDCV-NRFANRHFSA-N -1 3 389.499 3.982 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)ccc1Cl ZINC001185544401 913973691 /nfs/dbraw/zinc/97/36/91/913973691.db2.gz XQMQRSNGFHBVRD-CQSZACIVSA-N -1 3 379.787 3.936 20 0 GHADHM COc1cc2c(cc1OC)C(C)(C)N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC000880391800 895681976 /nfs/dbraw/zinc/68/19/76/895681976.db2.gz CPQKKBFRQGCGKO-UHFFFAOYSA-N -1 3 395.459 3.753 20 0 GHADHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1Cl ZINC000826177713 895782471 /nfs/dbraw/zinc/78/24/71/895782471.db2.gz RNRCBONJOYSQMF-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1Cl ZINC000826177713 895782485 /nfs/dbraw/zinc/78/24/85/895782485.db2.gz RNRCBONJOYSQMF-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1cc(CN2CCC=C(F)C2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826179551 895817053 /nfs/dbraw/zinc/81/70/53/895817053.db2.gz SYOWWSODMTVGIN-UHFFFAOYSA-N -1 3 395.438 3.513 20 0 GHADHM COc1cc(CN2CCC=C(F)C2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826179551 895817072 /nfs/dbraw/zinc/81/70/72/895817072.db2.gz SYOWWSODMTVGIN-UHFFFAOYSA-N -1 3 395.438 3.513 20 0 GHADHM CC(C)(C)CCS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000565747951 895847878 /nfs/dbraw/zinc/84/78/78/895847878.db2.gz VMPHZKKYONDZDR-UHFFFAOYSA-N -1 3 377.297 3.752 20 0 GHADHM Cc1c2ccccc2nc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1C(=O)[O-] ZINC000565835889 895919411 /nfs/dbraw/zinc/91/94/11/895919411.db2.gz JPVHYPNRTBEEMY-INIZCTEOSA-N -1 3 390.487 3.696 20 0 GHADHM O=C(Nc1ccccc1N1CCCC1=O)c1cc([O-])cc(Br)c1 ZINC001136029273 895921640 /nfs/dbraw/zinc/92/16/40/895921640.db2.gz SNEVDGSKADWDSV-UHFFFAOYSA-N -1 3 375.222 3.534 20 0 GHADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc(N)cc1[O-] ZINC000817914100 895960628 /nfs/dbraw/zinc/96/06/28/895960628.db2.gz WLANTDBELJESRI-KBPBESRZSA-N -1 3 381.476 3.653 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(N)cc1[O-] ZINC000817923235 895962441 /nfs/dbraw/zinc/96/24/41/895962441.db2.gz UGIQPMHYYBZQKK-UHFFFAOYSA-N -1 3 378.476 3.850 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1F ZINC001136093226 896012236 /nfs/dbraw/zinc/01/22/36/896012236.db2.gz MKTOOLXBCFJJBT-GOSISDBHSA-N -1 3 381.432 3.999 20 0 GHADHM Cc1ccc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1-c1ccsc1 ZINC000880995298 896054122 /nfs/dbraw/zinc/05/41/22/896054122.db2.gz RYDJPOQVUIEIPZ-UHFFFAOYSA-N -1 3 397.422 3.866 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC3(C(C)C)CC3)c2)c1 ZINC000818354660 896142686 /nfs/dbraw/zinc/14/26/86/896142686.db2.gz DHNVEXIDEJYWPO-UHFFFAOYSA-N -1 3 398.459 3.580 20 0 GHADHM O=C(Nc1ccc2c[nH]nc2c1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001136138400 896154988 /nfs/dbraw/zinc/15/49/88/896154988.db2.gz MBKPCXQVMSQYHD-UHFFFAOYSA-N -1 3 388.305 3.555 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2sccc2nc1Cl ZINC001136144737 896169464 /nfs/dbraw/zinc/16/94/64/896169464.db2.gz FXKSJNNJIKMFNY-UHFFFAOYSA-N -1 3 381.866 3.574 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000566220620 896181387 /nfs/dbraw/zinc/18/13/87/896181387.db2.gz KQKVYENDUIHMSH-AHRSYUTCSA-N -1 3 380.488 3.937 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-]c2cccc3occc32)CC1 ZINC001185765420 914070440 /nfs/dbraw/zinc/07/04/40/914070440.db2.gz AEAHMPDLIXEPHH-UHFFFAOYSA-N -1 3 380.466 3.574 20 0 GHADHM CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)nc1C ZINC000881712986 896491683 /nfs/dbraw/zinc/49/16/83/896491683.db2.gz XJKORJVWOIFRLJ-NSHDSACASA-N -1 3 394.880 3.617 20 0 GHADHM CS[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826225550 896525057 /nfs/dbraw/zinc/52/50/57/896525057.db2.gz DZTGBWYTBKLMKH-ZIAGYGMSSA-N -1 3 396.520 3.645 20 0 GHADHM CS[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826225550 896525066 /nfs/dbraw/zinc/52/50/66/896525066.db2.gz DZTGBWYTBKLMKH-ZIAGYGMSSA-N -1 3 396.520 3.645 20 0 GHADHM CSc1ccc(C)c(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826230305 896562191 /nfs/dbraw/zinc/56/21/91/896562191.db2.gz NCBLOBCFBHKGNB-UHFFFAOYSA-N -1 3 380.477 3.708 20 0 GHADHM CSc1ccc(C)c(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826230305 896562205 /nfs/dbraw/zinc/56/22/05/896562205.db2.gz NCBLOBCFBHKGNB-UHFFFAOYSA-N -1 3 380.477 3.708 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826239178 896592497 /nfs/dbraw/zinc/59/24/97/896592497.db2.gz ZJYNUDUGNLBDSK-KRWDZBQOSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826239178 896592508 /nfs/dbraw/zinc/59/25/08/896592508.db2.gz ZJYNUDUGNLBDSK-KRWDZBQOSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccnc2OC2CCCC2)c1-c1nnn[n-]1 ZINC000826240382 896594179 /nfs/dbraw/zinc/59/41/79/896594179.db2.gz PVRYZXNTXLQZBC-UHFFFAOYSA-N -1 3 385.859 3.552 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccnc2OC2CCCC2)c1-c1nn[n-]n1 ZINC000826240382 896594189 /nfs/dbraw/zinc/59/41/89/896594189.db2.gz PVRYZXNTXLQZBC-UHFFFAOYSA-N -1 3 385.859 3.552 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219796 896714432 /nfs/dbraw/zinc/71/44/32/896714432.db2.gz CMXUUPNRKIEOKM-ZDUSSCGKSA-N -1 3 399.285 3.787 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1nccnc1Cl ZINC001170928818 896790012 /nfs/dbraw/zinc/79/00/12/896790012.db2.gz RXWBPGMBQPHNFL-UHFFFAOYSA-N -1 3 386.260 3.691 20 0 GHADHM CC1(C)CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000567071518 896848207 /nfs/dbraw/zinc/84/82/07/896848207.db2.gz HVZXVCUOQUPVPH-KRWDZBQOSA-N -1 3 376.453 3.545 20 0 GHADHM O=S(=O)([N-]C1(c2ncccn2)CCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000882683826 896895532 /nfs/dbraw/zinc/89/55/32/896895532.db2.gz VNZCFLGMMLQYSC-UHFFFAOYSA-N -1 3 391.802 3.507 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000819678482 896898568 /nfs/dbraw/zinc/89/85/68/896898568.db2.gz NAHRLMXLTRBQIN-UHFFFAOYSA-N -1 3 388.415 3.867 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567168911 896932081 /nfs/dbraw/zinc/93/20/81/896932081.db2.gz PWLJACBPVLPJMU-SFHLNBCPSA-N -1 3 392.499 3.839 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001185817637 914126496 /nfs/dbraw/zinc/12/64/96/914126496.db2.gz OBSCWGTUXZFYSJ-UHFFFAOYSA-N -1 3 392.253 3.787 20 0 GHADHM C[C@@H]1C[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCO1 ZINC000567374004 897099348 /nfs/dbraw/zinc/09/93/48/897099348.db2.gz GFRQADHDLZVKGF-MWLCHTKSSA-N -1 3 390.241 3.567 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)ccc1C ZINC000820799316 897556505 /nfs/dbraw/zinc/55/65/05/897556505.db2.gz JXVROYODBKAOIE-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cc1OC ZINC000820799420 897556864 /nfs/dbraw/zinc/55/68/64/897556864.db2.gz OUAMTNMQMFCJKH-UHFFFAOYSA-N -1 3 377.249 3.515 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820826183 897569139 /nfs/dbraw/zinc/56/91/39/897569139.db2.gz KNFJKZYKFDUURL-SNVBAGLBSA-N -1 3 388.353 3.994 20 0 GHADHM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820826183 897569142 /nfs/dbraw/zinc/56/91/42/897569142.db2.gz KNFJKZYKFDUURL-SNVBAGLBSA-N -1 3 388.353 3.994 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1nc(C)cs1 ZINC000132140476 897687536 /nfs/dbraw/zinc/68/75/36/897687536.db2.gz ZJIJINLIYHEUDW-MRXNPFEDSA-N -1 3 386.926 3.911 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sc(Cl)cc2C1 ZINC000568271459 897706832 /nfs/dbraw/zinc/70/68/32/897706832.db2.gz CLUZIZXUCWWWNE-UHFFFAOYSA-N -1 3 375.881 3.508 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821154593 897765851 /nfs/dbraw/zinc/76/58/51/897765851.db2.gz PQZVKLXFPZFKCG-CABCVRRESA-N -1 3 394.479 3.729 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821154593 897765859 /nfs/dbraw/zinc/76/58/59/897765859.db2.gz PQZVKLXFPZFKCG-CABCVRRESA-N -1 3 394.479 3.729 20 0 GHADHM COc1ccn2c(c1)ncc2C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000821346814 897847061 /nfs/dbraw/zinc/84/70/61/897847061.db2.gz CTKGYAWDWJLTEX-JTQLQIEISA-N -1 3 398.444 3.588 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(O)CCc3ccccc3)c2)n1 ZINC000282838335 897978639 /nfs/dbraw/zinc/97/86/39/897978639.db2.gz PGGACPUTHBDMDS-HSZRJFAPSA-N -1 3 391.471 3.734 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1cc(C2CC2)[nH]n1 ZINC001185929844 914208876 /nfs/dbraw/zinc/20/88/76/914208876.db2.gz MKMBYRLNIGPYFN-UHFFFAOYSA-N -1 3 384.480 3.702 20 0 GHADHM Cc1ncc(CNC(=O)CCCCCCCNC(=O)c2ccccc2[O-])s1 ZINC001185930137 914209568 /nfs/dbraw/zinc/20/95/68/914209568.db2.gz PTHQULTVBOMNBM-UHFFFAOYSA-N -1 3 389.521 3.544 20 0 GHADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821824552 898108102 /nfs/dbraw/zinc/10/81/02/898108102.db2.gz MXTYVHVBUSBZKT-HNNXBMFYSA-N -1 3 375.860 3.999 20 0 GHADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821824552 898108117 /nfs/dbraw/zinc/10/81/17/898108117.db2.gz MXTYVHVBUSBZKT-HNNXBMFYSA-N -1 3 375.860 3.999 20 0 GHADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)c1 ZINC000822065152 898206264 /nfs/dbraw/zinc/20/62/64/898206264.db2.gz ULJGUUINSYRUDL-HDJSIYSDSA-N -1 3 398.409 3.833 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=CCCCO1 ZINC000822205678 898254134 /nfs/dbraw/zinc/25/41/34/898254134.db2.gz DRYCQBPATFTTEM-UHFFFAOYSA-N -1 3 393.422 3.542 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=CCCCO1 ZINC000822205678 898254146 /nfs/dbraw/zinc/25/41/46/898254146.db2.gz DRYCQBPATFTTEM-UHFFFAOYSA-N -1 3 393.422 3.542 20 0 GHADHM FC(F)Oc1ccccc1[C@@H](NCc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000826370595 898346837 /nfs/dbraw/zinc/34/68/37/898346837.db2.gz ZYKDWSYCHONQQR-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1[C@@H](NCc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000826370595 898346851 /nfs/dbraw/zinc/34/68/51/898346851.db2.gz ZYKDWSYCHONQQR-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1F)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000800054429 898540819 /nfs/dbraw/zinc/54/08/19/898540819.db2.gz WUHCXINJEZHZKV-HJWRWDBZSA-N -1 3 393.827 3.619 20 0 GHADHM O=C(OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc2nn[n-]c21 ZINC000800206858 898741516 /nfs/dbraw/zinc/74/15/16/898741516.db2.gz JXGRYTXIXYQGRE-UHFFFAOYSA-N -1 3 388.305 3.989 20 0 GHADHM O=C(OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc2[n-]nnc21 ZINC000800206858 898741524 /nfs/dbraw/zinc/74/15/24/898741524.db2.gz JXGRYTXIXYQGRE-UHFFFAOYSA-N -1 3 388.305 3.989 20 0 GHADHM O=C(OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc2n[n-]nc21 ZINC000800206858 898741530 /nfs/dbraw/zinc/74/15/30/898741530.db2.gz JXGRYTXIXYQGRE-UHFFFAOYSA-N -1 3 388.305 3.989 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1c(Cl)nccc1C(F)(F)F ZINC000133653570 898806715 /nfs/dbraw/zinc/80/67/15/898806715.db2.gz DZTSCYWOPQAZMX-UHFFFAOYSA-N -1 3 376.125 3.702 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(NC2CCCCC2)n1 ZINC000823196929 898895833 /nfs/dbraw/zinc/89/58/33/898895833.db2.gz CVYAYQZUWQPZTJ-UHFFFAOYSA-N -1 3 393.538 3.886 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(C)nc3C3CCC3)c2)n1 ZINC000569938659 899033525 /nfs/dbraw/zinc/03/35/25/899033525.db2.gz ZLFMQTUJUMROQC-UHFFFAOYSA-N -1 3 377.448 3.665 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823472605 899048847 /nfs/dbraw/zinc/04/88/47/899048847.db2.gz SHJGFSXZABCRBE-MRXNPFEDSA-N -1 3 378.461 3.777 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823472605 899048858 /nfs/dbraw/zinc/04/88/58/899048858.db2.gz SHJGFSXZABCRBE-MRXNPFEDSA-N -1 3 378.461 3.777 20 0 GHADHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001186116921 914311890 /nfs/dbraw/zinc/31/18/90/914311890.db2.gz PDAHFPVAOTYZJB-QGZVFWFLSA-N -1 3 393.578 3.743 20 0 GHADHM Brc1ccc(NCc2cc(-c3ccccc3)no2)c(-c2nnn[n-]2)c1 ZINC000823831799 899260521 /nfs/dbraw/zinc/26/05/21/899260521.db2.gz DEDFERLNOAIIRZ-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1ccc(NCc2cc(-c3ccccc3)no2)c(-c2nn[n-]n2)c1 ZINC000823831799 899260534 /nfs/dbraw/zinc/26/05/34/899260534.db2.gz DEDFERLNOAIIRZ-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824079065 899383983 /nfs/dbraw/zinc/38/39/83/899383983.db2.gz MFVFBEBFUUJLCY-BXUZGUMPSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824079065 899383997 /nfs/dbraw/zinc/38/39/97/899383997.db2.gz MFVFBEBFUUJLCY-BXUZGUMPSA-N -1 3 380.290 3.635 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1F ZINC001186186359 914349139 /nfs/dbraw/zinc/34/91/39/914349139.db2.gz OIEASTMQJCVCKC-RDBSUJKOSA-N -1 3 375.481 3.960 20 0 GHADHM CC(C)Cn1ncc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1C(F)F ZINC000824284443 899484888 /nfs/dbraw/zinc/48/48/88/899484888.db2.gz IXFYFUYECQFMCL-JTQLQIEISA-N -1 3 379.390 3.969 20 0 GHADHM CC(C)Cn1ncc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1C(F)F ZINC000824284443 899484895 /nfs/dbraw/zinc/48/48/95/899484895.db2.gz IXFYFUYECQFMCL-JTQLQIEISA-N -1 3 379.390 3.969 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c1[O-] ZINC000570717614 899529824 /nfs/dbraw/zinc/52/98/24/899529824.db2.gz IMDNJCACVULDAX-UHFFFAOYSA-N -1 3 396.834 3.959 20 0 GHADHM C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479168 899624019 /nfs/dbraw/zinc/62/40/19/899624019.db2.gz LSGLQXMPUTWYPO-MGPUTAFESA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479168 899624026 /nfs/dbraw/zinc/62/40/26/899624026.db2.gz LSGLQXMPUTWYPO-MGPUTAFESA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1C[C@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498508 899668026 /nfs/dbraw/zinc/66/80/26/899668026.db2.gz IMXRUJNAWGGDJS-BIENJYKASA-N -1 3 376.464 3.550 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1C[C@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498508 899668035 /nfs/dbraw/zinc/66/80/35/899668035.db2.gz IMXRUJNAWGGDJS-BIENJYKASA-N -1 3 376.464 3.550 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1C[C@@H]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498510 899668389 /nfs/dbraw/zinc/66/83/89/899668389.db2.gz IMXRUJNAWGGDJS-NJSLBKSFSA-N -1 3 376.464 3.550 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1C[C@@H]1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498510 899668400 /nfs/dbraw/zinc/66/84/00/899668400.db2.gz IMXRUJNAWGGDJS-NJSLBKSFSA-N -1 3 376.464 3.550 20 0 GHADHM C[C@@H](NCc1nc(C2CC2)no1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824624572 899745716 /nfs/dbraw/zinc/74/57/16/899745716.db2.gz AGBDKQZCSJGXQK-CYBMUJFWSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](NCc1nc(C2CC2)no1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824624572 899745731 /nfs/dbraw/zinc/74/57/31/899745731.db2.gz AGBDKQZCSJGXQK-CYBMUJFWSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@@H](Nc1nccc(N(C)C)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824671062 899753908 /nfs/dbraw/zinc/75/39/08/899753908.db2.gz VWXXRVRKCPNQFU-CQSZACIVSA-N -1 3 386.463 3.563 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)C1 ZINC000824897881 899866816 /nfs/dbraw/zinc/86/68/16/899866816.db2.gz CFGCKXKKNNXCDB-BEFAXECRSA-N -1 3 393.466 3.971 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)C1 ZINC000824897881 899866825 /nfs/dbraw/zinc/86/68/25/899866825.db2.gz CFGCKXKKNNXCDB-BEFAXECRSA-N -1 3 393.466 3.971 20 0 GHADHM CC[C@@H](C)OCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075881 899964774 /nfs/dbraw/zinc/96/47/74/899964774.db2.gz SDXRVOZXWQTEPX-HUUCEWRRSA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@@H](C)OCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075881 899964792 /nfs/dbraw/zinc/96/47/92/899964792.db2.gz SDXRVOZXWQTEPX-HUUCEWRRSA-N -1 3 379.464 3.526 20 0 GHADHM CC[C@H](c1nnc(NCc2cccc(-c3nnn[n-]3)c2)s1)c1ccccc1 ZINC000825159068 900020753 /nfs/dbraw/zinc/02/07/53/900020753.db2.gz IKANWDPYJSFFRU-INIZCTEOSA-N -1 3 377.477 3.872 20 0 GHADHM CC[C@H](c1nnc(NCc2cccc(-c3nn[n-]n3)c2)s1)c1ccccc1 ZINC000825159068 900020762 /nfs/dbraw/zinc/02/07/62/900020762.db2.gz IKANWDPYJSFFRU-INIZCTEOSA-N -1 3 377.477 3.872 20 0 GHADHM CC[C@H](SC)C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825160223 900022036 /nfs/dbraw/zinc/02/20/36/900022036.db2.gz YGKBHBKINVEMFL-DQPZFDDXSA-N -1 3 389.525 3.583 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(F)cc1F ZINC001137002884 900041090 /nfs/dbraw/zinc/04/10/90/900041090.db2.gz WUHOLEFOHDZBAM-SECBINFHSA-N -1 3 378.325 3.618 20 0 GHADHM COc1ccc(COc2cc(Cl)cc(-c3noc(-c4cnn[n-]4)n3)c2)cc1 ZINC001212800122 900071502 /nfs/dbraw/zinc/07/15/02/900071502.db2.gz QKZPRYDTQVCDOY-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1ccc(COc2cc(Cl)cc(-c3noc(-c4c[n-]nn4)n3)c2)cc1 ZINC001212800122 900071515 /nfs/dbraw/zinc/07/15/15/900071515.db2.gz QKZPRYDTQVCDOY-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM CCN(C(=O)CCCc1ccsc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371011 900130294 /nfs/dbraw/zinc/13/02/94/900130294.db2.gz AJPYNKGXDQVQID-UHFFFAOYSA-N -1 3 375.885 3.957 20 0 GHADHM CCN(C(=O)CCCc1ccsc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371011 900130301 /nfs/dbraw/zinc/13/03/01/900130301.db2.gz AJPYNKGXDQVQID-UHFFFAOYSA-N -1 3 375.885 3.957 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000825376659 900133294 /nfs/dbraw/zinc/13/32/94/900133294.db2.gz KRJYCFHVKBXDTF-AWEZNQCLSA-N -1 3 376.464 3.789 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000825376659 900133304 /nfs/dbraw/zinc/13/33/04/900133304.db2.gz KRJYCFHVKBXDTF-AWEZNQCLSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCO1 ZINC000135328469 900224613 /nfs/dbraw/zinc/22/46/13/900224613.db2.gz NWYNELRHTFAHBE-LBPRGKRZSA-N -1 3 384.860 3.505 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CCO1 ZINC000135326732 900225326 /nfs/dbraw/zinc/22/53/26/900225326.db2.gz FEVHNZWTZQIXDN-MRXNPFEDSA-N -1 3 382.485 3.866 20 0 GHADHM O=C(Nc1ncc(Br)[n-]c1=O)[C@H](c1ccccc1)C1CCCCC1 ZINC001143630424 900250437 /nfs/dbraw/zinc/25/04/37/900250437.db2.gz FULKNXXVZYAFBS-OAHLLOKOSA-N -1 3 390.281 3.835 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1[O-] ZINC000843889851 900293706 /nfs/dbraw/zinc/29/37/06/900293706.db2.gz QQVYZYRCLWASOC-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM CCCOC1(c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)CCCCC1 ZINC000572920847 900312836 /nfs/dbraw/zinc/31/28/36/900312836.db2.gz MYXCZQZBQXFQSV-UHFFFAOYSA-N -1 3 379.482 3.694 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@]2(C)Cc2cc(Cl)cs2)c(=O)[n-]1 ZINC000885247548 900440954 /nfs/dbraw/zinc/44/09/54/900440954.db2.gz GXQCWLUMEVLNLG-SFHVURJKSA-N -1 3 379.913 3.680 20 0 GHADHM CCCCc1ncc(CN2CCC[C@@H](OC)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143751987 900481972 /nfs/dbraw/zinc/48/19/72/900481972.db2.gz FGUCBGNCHLEXRM-OAQYLSRUSA-N -1 3 399.535 3.973 20 0 GHADHM CCCCCn1c2nnc(SCc3ncccc3[O-])n2c2ccccc2c1=O ZINC000573428776 900509753 /nfs/dbraw/zinc/50/97/53/900509753.db2.gz UKHMGRCUCRYVIE-UHFFFAOYSA-N -1 3 395.488 3.627 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000573462598 900519236 /nfs/dbraw/zinc/51/92/36/900519236.db2.gz GLYXBFFBSBFKOJ-HUUCEWRRSA-N -1 3 376.250 3.914 20 0 GHADHM O=C(O[C@H]1CCCc2nc(-c3ccccc3)sc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462326 900680257 /nfs/dbraw/zinc/68/02/57/900680257.db2.gz VGARPYCMNCAXKT-HNNXBMFYSA-N -1 3 392.444 3.553 20 0 GHADHM O=C(O[C@H]1CCCc2nc(-c3ccccc3)sc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462326 900680272 /nfs/dbraw/zinc/68/02/72/900680272.db2.gz VGARPYCMNCAXKT-HNNXBMFYSA-N -1 3 392.444 3.553 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](c3ccccc3C)C(C)C)no2)c(C)o1 ZINC000574676908 900967264 /nfs/dbraw/zinc/96/72/64/900967264.db2.gz RRAWETGRPOITEV-KRWDZBQOSA-N -1 3 389.477 3.642 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1CCC(C)C ZINC000068832752 901098625 /nfs/dbraw/zinc/09/86/25/901098625.db2.gz PAANYKMCSTUCIB-PXNSSMCTSA-N -1 3 396.535 3.794 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000886951660 901352696 /nfs/dbraw/zinc/35/26/96/901352696.db2.gz NNUSMRVYGJEOMS-UHFFFAOYSA-N -1 3 386.399 3.550 20 0 GHADHM c1c2ccccc2oc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000826525304 901388358 /nfs/dbraw/zinc/38/83/58/901388358.db2.gz DXFNDBPFKNCGSD-NRFANRHFSA-N -1 3 382.427 3.887 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)oc4ccc(OC)cc43)nc21 ZINC000158431554 901467181 /nfs/dbraw/zinc/46/71/81/901467181.db2.gz LSDINHKKXZHXNF-UHFFFAOYSA-N -1 3 379.372 3.665 20 0 GHADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000576124219 901700702 /nfs/dbraw/zinc/70/07/02/901700702.db2.gz ACWPGJCWJNIPQF-UHFFFAOYSA-N -1 3 397.880 3.928 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1 ZINC000122436729 901778367 /nfs/dbraw/zinc/77/83/67/901778367.db2.gz GJXYCNNIXPUFNU-CWTRNNRKSA-N -1 3 388.851 3.606 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845193819 901927986 /nfs/dbraw/zinc/92/79/86/901927986.db2.gz LIZPFBNNKLYDCG-NSHDSACASA-N -1 3 390.867 3.937 20 0 GHADHM CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000047652481 902247547 /nfs/dbraw/zinc/24/75/47/902247547.db2.gz UZNYHKVKOYEGER-UHFFFAOYSA-N -1 3 393.679 3.807 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@H](CO)Cc2ccccc21 ZINC000646524398 914610415 /nfs/dbraw/zinc/61/04/15/914610415.db2.gz WUNLMOCELHQNQN-MRXNPFEDSA-N -1 3 375.424 3.996 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@H](CO)Cc2ccccc21 ZINC000646528881 914617474 /nfs/dbraw/zinc/61/74/74/914617474.db2.gz CIUVUAONGAAOSZ-HXUWFJFHSA-N -1 3 387.479 3.989 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144616289 902509210 /nfs/dbraw/zinc/50/92/10/902509210.db2.gz HFQWBJXRMSCHGS-GOSISDBHSA-N -1 3 384.451 3.710 20 0 GHADHM [O-]c1cc(F)c(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1F ZINC001144651321 902560166 /nfs/dbraw/zinc/56/01/66/902560166.db2.gz LYTUYKCSBJPJHG-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144654261 902565569 /nfs/dbraw/zinc/56/55/69/902565569.db2.gz FLJNTSXUGBVOGH-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM CC(C)n1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cn1 ZINC000577432014 902766622 /nfs/dbraw/zinc/76/66/22/902766622.db2.gz NAMRODQOEGWCNM-FQEVSTJZSA-N -1 3 392.459 3.670 20 0 GHADHM CC(C)OCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC000600665857 902800736 /nfs/dbraw/zinc/80/07/36/902800736.db2.gz YXTUAFWZKCOJDG-UHFFFAOYSA-N -1 3 395.880 3.601 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1C(F)(F)F ZINC000159314179 902879665 /nfs/dbraw/zinc/87/96/65/902879665.db2.gz SJAOPIQYIOTZIT-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646594152 914705881 /nfs/dbraw/zinc/70/58/81/914705881.db2.gz QZNYYONEFNDINA-UHFFFAOYSA-N -1 3 375.350 3.869 20 0 GHADHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000577907111 903330756 /nfs/dbraw/zinc/33/07/56/903330756.db2.gz KVRVNDIZHSUYNI-KRWDZBQOSA-N -1 3 375.852 3.876 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1csc(COc2ccc(F)cc2)n1 ZINC000578137639 903549976 /nfs/dbraw/zinc/54/99/76/903549976.db2.gz PTZBFXHRWJIKEV-NJAPINKUSA-N -1 3 376.453 3.546 20 0 GHADHM Cn1cc(C2=CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)cn1 ZINC001146865467 903618461 /nfs/dbraw/zinc/61/84/61/903618461.db2.gz LJTZGVVBHKHEAR-UHFFFAOYSA-N -1 3 375.428 3.848 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136713996 903804687 /nfs/dbraw/zinc/80/46/87/903804687.db2.gz XZPUSOCDIPXBCF-UHFFFAOYSA-N -1 3 381.476 3.814 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@@H]1c1ccccc1 ZINC001148190374 904004142 /nfs/dbraw/zinc/00/41/42/904004142.db2.gz BQJWIEGBNBEASR-SJCJKPOMSA-N -1 3 378.881 3.545 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC(C)(C)c4ccccc43)nc(=O)c2c1C ZINC000578614092 904008621 /nfs/dbraw/zinc/00/86/21/904008621.db2.gz IPZVBVBAHPRNNK-UHFFFAOYSA-N -1 3 397.500 3.768 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(F)(F)[C@@H](C)C3)nc(=O)c2c1C ZINC000578682567 904047920 /nfs/dbraw/zinc/04/79/20/904047920.db2.gz POEMQEIPHWCIKD-ONGXEEELSA-N -1 3 399.463 3.508 20 0 GHADHM Cc1ccc(C(=O)Nc2nccc(Cl)c2I)c([O-])c1 ZINC001148492522 904095010 /nfs/dbraw/zinc/09/50/10/904095010.db2.gz OMHWFCFYPABFMK-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM CC(=O)c1cc(C(=O)N(c2cc(Br)ccc2N)C(C)C)ccc1[O-] ZINC001148664895 904164260 /nfs/dbraw/zinc/16/42/60/904164260.db2.gz ULBCHWXAQHVBMK-UHFFFAOYSA-N -1 3 391.265 3.995 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@H]2CCc3cc(Br)ccc3C2)ccc1[O-] ZINC001148669787 904165212 /nfs/dbraw/zinc/16/52/12/904165212.db2.gz COJCSHSAHVGYCC-INIZCTEOSA-N -1 3 388.261 3.645 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@@H]2CCOc3ccc(OC(F)(F)F)cc32)ccc1[O-] ZINC001148671498 904165544 /nfs/dbraw/zinc/16/55/44/904165544.db2.gz VXTKKVBWKFVYSD-OAHLLOKOSA-N -1 3 395.333 3.747 20 0 GHADHM O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000646701524 914787798 /nfs/dbraw/zinc/78/77/98/914787798.db2.gz IOCUTWAGEZPLDC-KPZWWZAWSA-N -1 3 381.350 3.760 20 0 GHADHM O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000646706080 914795566 /nfs/dbraw/zinc/79/55/66/914795566.db2.gz AYQLSZHLYBEGCO-HNAYVOBHSA-N -1 3 379.378 3.559 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC001148878761 904226546 /nfs/dbraw/zinc/22/65/46/904226546.db2.gz HBBOMDOYEWMBRO-UHFFFAOYSA-N -1 3 381.359 3.943 20 0 GHADHM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000215959082 904247170 /nfs/dbraw/zinc/24/71/70/904247170.db2.gz UOBFJOAKCFEIJK-UHFFFAOYSA-N -1 3 395.352 3.846 20 0 GHADHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000579096131 904346233 /nfs/dbraw/zinc/34/62/33/904346233.db2.gz QIPYUHPKYBHFDM-OAHLLOKOSA-N -1 3 395.477 3.511 20 0 GHADHM O=C1[N-]C(=O)/C(=C/c2nc3ccc(Br)cc3s2)c2ccccc21 ZINC000773124563 904453771 /nfs/dbraw/zinc/45/37/71/904453771.db2.gz JIPSCNVPNZJRAB-XYOKQWHBSA-N -1 3 385.242 3.869 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(c4nncn4C4CC4)CC3)c2c1 ZINC000579598222 904728314 /nfs/dbraw/zinc/72/83/14/904728314.db2.gz VVVRUBFMTKYQGA-UHFFFAOYSA-N -1 3 377.448 3.552 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001171479714 904751431 /nfs/dbraw/zinc/75/14/31/904751431.db2.gz WSQNGBCJAYWCRR-UHFFFAOYSA-N -1 3 384.436 3.967 20 0 GHADHM C[C@@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000188147501 904880066 /nfs/dbraw/zinc/88/00/66/904880066.db2.gz FALAUBMPZZEESE-IIMQCXAKSA-N -1 3 375.428 3.525 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000826687086 904964639 /nfs/dbraw/zinc/96/46/39/904964639.db2.gz FWULJHMIHYMORK-FQEVSTJZSA-N -1 3 386.467 3.686 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC(c4ccsc4)CC3)c(=O)c2c(OC)c1 ZINC000626515583 905087980 /nfs/dbraw/zinc/08/79/80/905087980.db2.gz SPTPYVZTPSSJJQ-UHFFFAOYSA-N -1 3 398.484 3.627 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000627319329 905530646 /nfs/dbraw/zinc/53/06/46/905530646.db2.gz PRYOESSJPLZAMQ-MRXNPFEDSA-N -1 3 381.350 3.813 20 0 GHADHM O=C(Cc1ccsc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767305 905661901 /nfs/dbraw/zinc/66/19/01/905661901.db2.gz OIPGEABVPNLGHC-UHFFFAOYSA-N -1 3 378.881 3.527 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000176463789 905848196 /nfs/dbraw/zinc/84/81/96/905848196.db2.gz HXJGNHXRMGCVFI-UHFFFAOYSA-N -1 3 377.441 3.513 20 0 GHADHM COCCn1nc(C)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1C ZINC000179760315 906588694 /nfs/dbraw/zinc/58/86/94/906588694.db2.gz CCDAANJFVSWOOP-UHFFFAOYSA-N -1 3 395.459 3.683 20 0 GHADHM CC(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179936835 906638097 /nfs/dbraw/zinc/63/80/97/906638097.db2.gz SUJGTJZEBJQLBP-AWEZNQCLSA-N -1 3 395.484 3.866 20 0 GHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)CCc2c(F)cccc2F)c1C1CC1 ZINC000629295595 906685956 /nfs/dbraw/zinc/68/59/56/906685956.db2.gz JNZJSODAZKXYFD-LBPRGKRZSA-N -1 3 383.464 3.994 20 0 GHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629363210 906733759 /nfs/dbraw/zinc/73/37/59/906733759.db2.gz GJWYFOQQKUKOAS-CYBMUJFWSA-N -1 3 377.872 3.537 20 0 GHADHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c(Br)c1OC ZINC000629374415 906747804 /nfs/dbraw/zinc/74/78/04/906747804.db2.gz RZMCHWNFYDGFAB-RDBSUJKOSA-N -1 3 398.297 3.542 20 0 GHADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2c(F)cccc2Br)s1 ZINC000130425510 907053342 /nfs/dbraw/zinc/05/33/42/907053342.db2.gz AKWYIVAKOXSURA-UHFFFAOYSA-N -1 3 393.303 3.567 20 0 GHADHM Cc1ccc(F)cc1Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1[O-] ZINC001174884969 907246438 /nfs/dbraw/zinc/24/64/38/907246438.db2.gz VYKKJAHFCWMZKH-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM CO[C@@H](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000182951951 907299484 /nfs/dbraw/zinc/29/94/84/907299484.db2.gz FUVPRIYPKPOKGA-HNNXBMFYSA-N -1 3 376.478 3.549 20 0 GHADHM Nc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)c(F)c1F ZINC001175087216 907372828 /nfs/dbraw/zinc/37/28/28/907372828.db2.gz WXYSKQZKIVPPKQ-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(Cc3ccc(Cl)cc3)s2)c2ccccc21 ZINC000777403003 907508842 /nfs/dbraw/zinc/50/88/42/907508842.db2.gz VSFAFDOAFXRENR-GDNBJRDFSA-N -1 3 396.859 3.505 20 0 GHADHM Cc1nc(CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)sc1C ZINC001175485724 907570925 /nfs/dbraw/zinc/57/09/25/907570925.db2.gz PVCRMHRLHNTCNE-CYBMUJFWSA-N -1 3 383.439 3.932 20 0 GHADHM Cc1cnc([C@H](C)CNC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000184485736 907593348 /nfs/dbraw/zinc/59/33/48/907593348.db2.gz YRNFDGVEQZSTMW-SECBINFHSA-N -1 3 384.299 3.523 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(NC=CCc3ccccc3)c2)ccc1O ZINC001176217423 907991628 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O=C([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1ncc(F)cc1F ZINC000192112421 908722249 /nfs/dbraw/zinc/72/22/49/908722249.db2.gz QQGMVAJAMNKOHO-UHFFFAOYSA-N -1 3 387.365 3.736 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1OC ZINC000266359870 909094840 /nfs/dbraw/zinc/09/48/40/909094840.db2.gz AJGJDCZBDMSUAT-UHFFFAOYSA-N -1 3 383.514 3.501 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001178806806 909236101 /nfs/dbraw/zinc/23/61/01/909236101.db2.gz QNEVVMHRKRTLQG-GOSISDBHSA-N -1 3 382.416 3.804 20 0 GHADHM COc1ccc2c(c1)CC[C@H](CC(=O)Nc1ncc([O-])cc1Br)C2 ZINC001178906390 909307785 /nfs/dbraw/zinc/30/77/85/909307785.db2.gz HOQUSKWTNQDDNC-NSHDSACASA-N -1 3 391.265 3.692 20 0 GHADHM C[C@@H](NC(=O)c1csc(Cc2ccccc2F)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182808 909398025 /nfs/dbraw/zinc/39/80/25/909398025.db2.gz KLZJSQOSAAYARK-MRVPVSSYSA-N -1 3 399.373 3.501 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182699 909398096 /nfs/dbraw/zinc/39/80/96/909398096.db2.gz IBHQQFCRLMQFKS-RXMQYKEDSA-N -1 3 397.582 3.730 20 0 GHADHM Cc1nc2cccc(Cl)c2cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179182637 909398386 /nfs/dbraw/zinc/39/83/86/909398386.db2.gz GSJNKNNFZIQLTE-QMMMGPOBSA-N -1 3 383.761 3.825 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183946 909400128 /nfs/dbraw/zinc/40/01/28/909400128.db2.gz YXCCESIZBLPJSA-IUCAKERBSA-N -1 3 394.319 3.898 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC000901700627 921494113 /nfs/dbraw/zinc/49/41/13/921494113.db2.gz QFZJAXPIJFDTHT-NRFANRHFSA-N -1 3 383.423 3.952 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000636112030 909431050 /nfs/dbraw/zinc/43/10/50/909431050.db2.gz OIDPUAPPJMMRGN-QWHCGFSZSA-N -1 3 379.382 3.664 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)n1 ZINC000636109753 909431061 /nfs/dbraw/zinc/43/10/61/909431061.db2.gz HWOWHTZMOAZFQP-NVXWUHKLSA-N -1 3 377.529 3.998 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)ccc2c1 ZINC000636111356 909432945 /nfs/dbraw/zinc/43/29/45/909432945.db2.gz RYHSZEGVRPRQGL-AWEZNQCLSA-N -1 3 379.460 3.807 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000636115755 909435282 /nfs/dbraw/zinc/43/52/82/909435282.db2.gz TZIWLBRVORYBGU-OAHLLOKOSA-N -1 3 392.459 3.691 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCOc2cccc(Cl)c2Cl)n1 ZINC000636115377 909437621 /nfs/dbraw/zinc/43/76/21/909437621.db2.gz ONLPJRRRJHDGNR-UHFFFAOYSA-N -1 3 384.263 3.618 20 0 GHADHM Cc1c(Br)cncc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001179336337 909493717 /nfs/dbraw/zinc/49/37/17/909493717.db2.gz PBCQNBCBUMSACH-UHFFFAOYSA-N -1 3 394.175 3.525 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636319217 909535844 /nfs/dbraw/zinc/53/58/44/909535844.db2.gz NFAGRZOPKSATEB-OAHLLOKOSA-N -1 3 383.492 3.965 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320702 909541650 /nfs/dbraw/zinc/54/16/50/909541650.db2.gz RSNZESCMTBGKCS-SFHVURJKSA-N -1 3 389.883 3.823 20 0 GHADHM Cc1nc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc2)cs1 ZINC000636320730 909541728 /nfs/dbraw/zinc/54/17/28/909541728.db2.gz JBCDAZAIBDCSGX-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@@]3(C)C3CCCCC3)c(=O)c2c(OC)c1 ZINC000636383770 909566237 /nfs/dbraw/zinc/56/62/37/909566237.db2.gz XHRNGFUQLUPJFN-QFIPXVFZSA-N -1 3 384.476 3.730 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000636654714 909617068 /nfs/dbraw/zinc/61/70/68/909617068.db2.gz GLJVGNZQGRNZLX-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000636654714 909617095 /nfs/dbraw/zinc/61/70/95/909617095.db2.gz GLJVGNZQGRNZLX-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801803345 921510248 /nfs/dbraw/zinc/51/02/48/921510248.db2.gz ACPCYXORFDOVTI-CQSZACIVSA-N -1 3 390.358 3.726 20 0 GHADHM CCCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000901722092 921511544 /nfs/dbraw/zinc/51/15/44/921511544.db2.gz NXAVFZQOAYXYFR-XSSIKURBSA-N -1 3 396.487 3.894 20 0 GHADHM O=C(C=Cc1cccc(C(F)(F)F)c1F)Nc1ccccc1-c1nnn[n-]1 ZINC001179785814 909727248 /nfs/dbraw/zinc/72/72/48/909727248.db2.gz MKPLMPILHABEPW-CMDGGOBGSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1cccc(C(F)(F)F)c1F)Nc1ccccc1-c1nn[n-]n1 ZINC001179785814 909727251 /nfs/dbraw/zinc/72/72/51/909727251.db2.gz MKPLMPILHABEPW-CMDGGOBGSA-N -1 3 377.301 3.677 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)ccc1F ZINC001179948745 909823166 /nfs/dbraw/zinc/82/31/66/909823166.db2.gz IHAUSURUTZBTPS-UHFFFAOYSA-N -1 3 395.390 3.751 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)ccc1F ZINC001179948745 909823175 /nfs/dbraw/zinc/82/31/75/909823175.db2.gz IHAUSURUTZBTPS-UHFFFAOYSA-N -1 3 395.390 3.751 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](Cc2ccc(OC)cc2)c2ccccc2)[n-]n1 ZINC001180011321 909880754 /nfs/dbraw/zinc/88/07/54/909880754.db2.gz GQHGETSLNXBLMW-GOSISDBHSA-N -1 3 393.443 3.560 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](Cc2ccc(OC)cc2)c2ccccc2)n[n-]1 ZINC001180011321 909880758 /nfs/dbraw/zinc/88/07/58/909880758.db2.gz GQHGETSLNXBLMW-GOSISDBHSA-N -1 3 393.443 3.560 20 0 GHADHM Nc1c(Cl)cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1Cl ZINC001180226545 910025993 /nfs/dbraw/zinc/02/59/93/910025993.db2.gz ZUYWXFPFFXECSA-HOMQSWHASA-N -1 3 381.263 3.527 20 0 GHADHM C[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])CC(c2ccc(F)cc2)=NO1 ZINC001180457150 910179968 /nfs/dbraw/zinc/17/99/68/910179968.db2.gz UXJDWUCJTQOUPD-KRWDZBQOSA-N -1 3 393.212 3.816 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000366386728 921558740 /nfs/dbraw/zinc/55/87/40/921558740.db2.gz NZFPGAKXPCZZCP-CTYIDZIISA-N -1 3 397.272 3.967 20 0 GHADHM Cc1nc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc(=O)[n-]1 ZINC001180814834 910382700 /nfs/dbraw/zinc/38/27/00/910382700.db2.gz LAVLGNIBDJRZIZ-UHFFFAOYSA-N -1 3 395.290 3.648 20 0 GHADHM COc1ccc(-n2c(C)nnc2SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000366401093 921573329 /nfs/dbraw/zinc/57/33/29/921573329.db2.gz RAEZZQOBWIPRBI-UHFFFAOYSA-N -1 3 395.444 3.632 20 0 GHADHM CC1CCN([C@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000901796759 921574902 /nfs/dbraw/zinc/57/49/02/921574902.db2.gz SSOSQMONOYSSJU-BIENSFFJSA-N -1 3 388.489 3.642 20 0 GHADHM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1nccn1CC(F)(F)F ZINC000901800230 921579571 /nfs/dbraw/zinc/57/95/71/921579571.db2.gz XQAUSKJPYZDFTG-LBPRGKRZSA-N -1 3 396.196 3.538 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000270414436 910555577 /nfs/dbraw/zinc/55/55/77/910555577.db2.gz FAIBDVDIVGUTCQ-UHFFFAOYSA-N -1 3 380.492 3.690 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1[O-] ZINC000270605849 910625053 /nfs/dbraw/zinc/62/50/53/910625053.db2.gz BNKFOMZZTATKAA-JTQLQIEISA-N -1 3 391.374 3.645 20 0 GHADHM N=c1[n-]nc([C@H]2CCCN(CCSc3ccnc4cc(Cl)ccc43)C2)o1 ZINC000639822678 910694470 /nfs/dbraw/zinc/69/44/70/910694470.db2.gz RMIWIMYFZFENOP-LBPRGKRZSA-N -1 3 389.912 3.655 20 0 GHADHM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000366501661 921653853 /nfs/dbraw/zinc/65/38/53/921653853.db2.gz VEGPOTRLFLYJCK-IJEWVQPXSA-N -1 3 398.425 3.576 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F)c1nc(C(F)(F)F)cs1 ZINC000641365500 911391868 /nfs/dbraw/zinc/39/18/68/911391868.db2.gz XWBNZKGSIPXZRA-HTQZYQBOSA-N -1 3 392.415 3.824 20 0 GHADHM O=c1cc(CNc2nc(C(F)F)nc3ccc(F)cc32)nc(C2CCC2)[n-]1 ZINC000641683657 911482853 /nfs/dbraw/zinc/48/28/53/911482853.db2.gz NPUWEQGKUMMOFX-UHFFFAOYSA-N -1 3 375.354 3.504 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc(=O)c2ccccc2[n-]1 ZINC000366528594 921666937 /nfs/dbraw/zinc/66/69/37/921666937.db2.gz FEBHKTDBOOFDOT-ZYHUDNBSSA-N -1 3 389.274 3.638 20 0 GHADHM Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000774292446 911634369 /nfs/dbraw/zinc/63/43/69/911634369.db2.gz MUORJZKRTMEJFI-OAQYLSRUSA-N -1 3 385.423 3.566 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccsc1Br ZINC000283949256 911701360 /nfs/dbraw/zinc/70/13/60/911701360.db2.gz ZLNZBNGVQFYOBF-UHFFFAOYSA-N -1 3 384.299 3.542 20 0 GHADHM O=C([O-])c1cnn(C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC000901882566 921687146 /nfs/dbraw/zinc/68/71/46/921687146.db2.gz MILQJMZDYGYKBT-UHFFFAOYSA-N -1 3 391.471 3.997 20 0 GHADHM O=c1nc(CN2CCC[C@@](O)(C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000956943571 911870846 /nfs/dbraw/zinc/87/08/46/911870846.db2.gz HHZPKEOXYZYWKG-INIZCTEOSA-N -1 3 399.394 3.546 20 0 GHADHM CSc1[n-]nc(NC(=O)[C@H](C)c2cccc(Oc3ccccc3)c2)c1C(N)=O ZINC001182737974 912016142 /nfs/dbraw/zinc/01/61/42/912016142.db2.gz WFGLXQQWCJMMBE-GFCCVEGCSA-N -1 3 396.472 3.765 20 0 GHADHM O=C(CCC(=O)OCc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC001182775397 912042461 /nfs/dbraw/zinc/04/24/61/912042461.db2.gz XHJITWZNWYSNEY-UHFFFAOYSA-N -1 3 378.222 3.617 20 0 GHADHM C[C@@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC000901910840 921726395 /nfs/dbraw/zinc/72/63/95/921726395.db2.gz JDXXAYLLILPJBZ-LLVKDONJSA-N -1 3 397.903 3.949 20 0 GHADHM CC(C)c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c(C(F)(F)F)c1 ZINC001182972812 912194782 /nfs/dbraw/zinc/19/47/82/912194782.db2.gz GVTCVLRKUHUQLX-UHFFFAOYSA-N -1 3 380.366 3.903 20 0 GHADHM CC(C)Oc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc(C(F)(F)F)c1 ZINC001182973106 912194978 /nfs/dbraw/zinc/19/49/78/912194978.db2.gz VXVDCKZGWXGXAU-UHFFFAOYSA-N -1 3 396.365 3.567 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)c1ccccc1-c1nnn[n-]1 ZINC001186992104 914960821 /nfs/dbraw/zinc/96/08/21/914960821.db2.gz SINUBWGNTMNBRY-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)c1ccccc1-c1nn[n-]n1 ZINC001186992104 914960828 /nfs/dbraw/zinc/96/08/28/914960828.db2.gz SINUBWGNTMNBRY-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1O ZINC001187003988 914971064 /nfs/dbraw/zinc/97/10/64/914971064.db2.gz KWIXKSSESNBDFQ-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM CC1(C)CCC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC001187362974 915196806 /nfs/dbraw/zinc/19/68/06/915196806.db2.gz ZCWRKDHCXKFXGQ-UHFFFAOYSA-N -1 3 381.723 3.745 20 0 GHADHM CC(C)(C)Cc1nc(-c2cccc(-c3nc(-c4cc(=O)[n-]cn4)no3)c2)no1 ZINC000647417615 915221868 /nfs/dbraw/zinc/22/18/68/915221868.db2.gz DFUFQLBNJKLKEB-UHFFFAOYSA-N -1 3 378.392 3.538 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]CC1(Cc2ccccc2C(F)(F)F)CCC1 ZINC001187410904 915229835 /nfs/dbraw/zinc/22/98/35/915229835.db2.gz YGFZPYYWMQHGAO-UHFFFAOYSA-N -1 3 388.411 3.693 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC001187425699 915240881 /nfs/dbraw/zinc/24/08/81/915240881.db2.gz WTMMILAZJMQCNS-MRXNPFEDSA-N -1 3 392.279 3.940 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1cccc(Cl)c1 ZINC001187384606 915243572 /nfs/dbraw/zinc/24/35/72/915243572.db2.gz LAYSHAUJRLVUCX-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1cnn(-c2ccccc2C)c1)C(=O)[O-] ZINC000647646937 915353445 /nfs/dbraw/zinc/35/34/45/915353445.db2.gz VAMMOUXNDOMSNN-QHCPKHFHSA-N -1 3 391.471 3.595 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)N(C)C)sc1Cl ZINC001187640478 915408354 /nfs/dbraw/zinc/40/83/54/915408354.db2.gz CHOJOHZJBCYUOC-ZDUSSCGKSA-N -1 3 393.361 3.945 20 0 GHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000647919768 915439220 /nfs/dbraw/zinc/43/92/20/915439220.db2.gz QZXPLMAVCVTGFO-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM COc1cc2c(cc1NC(=O)c1[n-]nnc1C(F)(F)F)oc1ccccc12 ZINC001187766271 915512706 /nfs/dbraw/zinc/51/27/06/915512706.db2.gz NJFORLNBRCJWFQ-UHFFFAOYSA-N -1 3 376.294 3.984 20 0 GHADHM COc1cc2c(cc1NC(=O)c1nn[n-]c1C(F)(F)F)oc1ccccc12 ZINC001187766271 915512720 /nfs/dbraw/zinc/51/27/20/915512720.db2.gz NJFORLNBRCJWFQ-UHFFFAOYSA-N -1 3 376.294 3.984 20 0 GHADHM COC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001187794950 915517120 /nfs/dbraw/zinc/51/71/20/915517120.db2.gz OZWSJTMHRGGQFT-UHFFFAOYSA-N -1 3 386.404 3.778 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)cc1 ZINC001187826942 915574234 /nfs/dbraw/zinc/57/42/34/915574234.db2.gz QAKSBGAAZHERDY-UHFFFAOYSA-N -1 3 399.468 3.823 20 0 GHADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(CC(=O)[O-])C1CC1 ZINC000901976782 921783039 /nfs/dbraw/zinc/78/30/39/921783039.db2.gz VGCIWYXHPPBYKP-UHFFFAOYSA-N -1 3 392.297 3.807 20 0 GHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(Br)c2)[C@@H]1c1cccnc1 ZINC000292554296 915737869 /nfs/dbraw/zinc/73/78/69/915737869.db2.gz KJCLVDSAHBMTTE-MRXNPFEDSA-N -1 3 390.281 3.842 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1Cl ZINC001188076940 915739682 /nfs/dbraw/zinc/73/96/82/915739682.db2.gz WENPFCGSJRFATD-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)nc(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC001188087555 915746535 /nfs/dbraw/zinc/74/65/35/915746535.db2.gz JHLWEGSPABZMSM-UHFFFAOYSA-N -1 3 387.075 3.569 20 0 GHADHM CCN(CC(F)(F)F)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC001188115139 915763070 /nfs/dbraw/zinc/76/30/70/915763070.db2.gz ULUPXILRPKZVQG-UHFFFAOYSA-N -1 3 394.419 3.924 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)C2CCC2)cc1C(F)(F)F ZINC001188143886 915779697 /nfs/dbraw/zinc/77/96/97/915779697.db2.gz FBMNQGXWJLNNAA-UHFFFAOYSA-N -1 3 379.400 3.955 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188259736 915859505 /nfs/dbraw/zinc/85/95/05/915859505.db2.gz OOEHAMVFAWOOIN-ZETCQYMHSA-N -1 3 378.750 3.610 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)c1 ZINC001188607168 916053872 /nfs/dbraw/zinc/05/38/72/916053872.db2.gz HNNWMOLWDYITFB-HXPMCKFVSA-N -1 3 391.464 3.523 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)N=c1[nH][n-]cc1Br ZINC000649223325 916072180 /nfs/dbraw/zinc/07/21/80/916072180.db2.gz SXPGWCBYERHKAX-UHFFFAOYSA-N -1 3 380.286 3.556 20 0 GHADHM O=C(c1ccncc1[O-])N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001188630110 916090470 /nfs/dbraw/zinc/09/04/70/916090470.db2.gz YKJCZWFHTPSAGH-OAQYLSRUSA-N -1 3 387.483 3.704 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC001188802716 916217339 /nfs/dbraw/zinc/21/73/39/916217339.db2.gz AXKKFFDCHIGCCP-UHFFFAOYSA-N -1 3 389.820 3.839 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)c2)cs1 ZINC001188843338 916252646 /nfs/dbraw/zinc/25/26/46/916252646.db2.gz JQZRXILBPHGOPN-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM CCn1c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nnc1-c1cccnc1 ZINC001188889573 916277949 /nfs/dbraw/zinc/27/79/49/916277949.db2.gz LBXIHRJPMSJOAM-UHFFFAOYSA-N -1 3 390.472 3.815 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009431 916336341 /nfs/dbraw/zinc/33/63/41/916336341.db2.gz QNLLNGCIVAMVGL-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC001189021162 916346897 /nfs/dbraw/zinc/34/68/97/916346897.db2.gz VQLMYTFGCIFEFH-HOCLYGCPSA-N -1 3 381.929 3.620 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)[n-]1 ZINC001189053794 916372498 /nfs/dbraw/zinc/37/24/98/916372498.db2.gz XSRQBSYJWKFDEO-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)c[n-]1 ZINC001189053794 916372509 /nfs/dbraw/zinc/37/25/09/916372509.db2.gz XSRQBSYJWKFDEO-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ncc(C(F)(F)F)cc1F ZINC001189068102 916379290 /nfs/dbraw/zinc/37/92/90/916379290.db2.gz VMBGHGWRHMTEKV-UHFFFAOYSA-N -1 3 382.766 3.877 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[n-]1 ZINC000293836808 916411561 /nfs/dbraw/zinc/41/15/61/916411561.db2.gz XNDYUJAOXGZBHY-MHZLTWQESA-N -1 3 388.489 3.635 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)c1 ZINC001189232149 916480910 /nfs/dbraw/zinc/48/09/10/916480910.db2.gz FDEBDEDUIMCZIL-UHFFFAOYSA-N -1 3 395.305 3.867 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189350411 916590864 /nfs/dbraw/zinc/59/08/64/916590864.db2.gz WPNLKAGOLMQUFX-UHFFFAOYSA-N -1 3 385.248 3.590 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)ccc1Cl ZINC001189453285 916657426 /nfs/dbraw/zinc/65/74/26/916657426.db2.gz JHDZYBYYAZAETF-UHFFFAOYSA-N -1 3 389.807 3.737 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]Cc1cc(-c2cccc(Cl)c2)no1 ZINC001189710533 916854678 /nfs/dbraw/zinc/85/46/78/916854678.db2.gz UXWLVZSCPWSCRG-UHFFFAOYSA-N -1 3 398.818 3.893 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(C(F)(F)F)ncc1Br ZINC001189712605 916856278 /nfs/dbraw/zinc/85/62/78/916856278.db2.gz KKVQGMXULASRSF-UHFFFAOYSA-N -1 3 379.107 3.960 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(Br)c(F)c1 ZINC001189815331 916940945 /nfs/dbraw/zinc/94/09/45/916940945.db2.gz XSXYCZPNZFICJY-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824980 916948636 /nfs/dbraw/zinc/94/86/36/916948636.db2.gz SKDMXORNKAUZST-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)cc1F ZINC001189863666 916964140 /nfs/dbraw/zinc/96/41/40/916964140.db2.gz NSDNLUOYUQCXPV-UHFFFAOYSA-N -1 3 375.824 3.538 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)C(F)F ZINC001189849509 916978587 /nfs/dbraw/zinc/97/85/87/916978587.db2.gz VBFFUWIRQDUXSN-UHFFFAOYSA-N -1 3 396.175 3.790 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)n1 ZINC000294802662 916987924 /nfs/dbraw/zinc/98/79/24/916987924.db2.gz IOGWBLYPSHOABJ-RCDICMHDSA-N -1 3 379.460 3.746 20 0 GHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)cc1)N1CCOCC1 ZINC000650452383 916989080 /nfs/dbraw/zinc/98/90/80/916989080.db2.gz BNRSSHUQWLBANY-ZDUSSCGKSA-N -1 3 398.887 3.673 20 0 GHADHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)CCCC2 ZINC000650483915 917009011 /nfs/dbraw/zinc/00/90/11/917009011.db2.gz PYOBILOIAVHXBF-UHFFFAOYSA-N -1 3 393.317 3.976 20 0 GHADHM COc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc([O-])cc1Br ZINC001190044813 917073608 /nfs/dbraw/zinc/07/36/08/917073608.db2.gz FASIAUGAYIJOGR-UHFFFAOYSA-N -1 3 391.143 3.829 20 0 GHADHM COc1ccccc1-n1cnnc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000006534622 917160159 /nfs/dbraw/zinc/16/01/59/917160159.db2.gz JQMFVOCCXILWIZ-UHFFFAOYSA-N -1 3 395.440 3.689 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(Cl)c1)c1ccc(C2CC2)cc1 ZINC001190500082 917368606 /nfs/dbraw/zinc/36/86/06/917368606.db2.gz LUPHZLOKSMJTHV-UHFFFAOYSA-N -1 3 392.908 3.855 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CC2(N(C)Cc3ccccc3)CCC2)c(F)c1 ZINC001190547241 917403408 /nfs/dbraw/zinc/40/34/08/917403408.db2.gz HACWOEXOYZMHPP-UHFFFAOYSA-N -1 3 394.487 3.606 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000651539712 917650773 /nfs/dbraw/zinc/65/07/73/917650773.db2.gz LLKSQPXJIJNVTG-WDEREUQCSA-N -1 3 396.203 3.519 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)c1nccs1 ZINC000651567153 917662861 /nfs/dbraw/zinc/66/28/61/917662861.db2.gz WQRUZFMKPHYNLU-QMMMGPOBSA-N -1 3 381.342 3.705 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnc(Cl)cc1C(=O)[N-]c1noc2cccnc12 ZINC001191021275 917710003 /nfs/dbraw/zinc/71/00/03/917710003.db2.gz AUYWBSGRLOGGQS-UHFFFAOYSA-N -1 3 389.799 3.871 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1ccc(F)cc1Br ZINC001191370037 917970118 /nfs/dbraw/zinc/97/01/18/917970118.db2.gz LJTCMLNIDVUSEZ-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1F ZINC001191370189 917973388 /nfs/dbraw/zinc/97/33/88/917973388.db2.gz PQOFZCYHHGGTNL-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)cc(OC)c1[O-] ZINC000652819165 918022054 /nfs/dbraw/zinc/02/20/54/918022054.db2.gz XURJPSWBYQWKLW-AWEZNQCLSA-N -1 3 375.396 3.581 20 0 GHADHM O=C([N-]c1cncc(Br)c1Cl)c1cnc(Br)o1 ZINC001191714438 918137611 /nfs/dbraw/zinc/13/76/11/918137611.db2.gz YNJMJLIDVNXIJB-UHFFFAOYSA-N -1 3 381.411 3.500 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(CO)CC=CC1 ZINC001191694665 918161245 /nfs/dbraw/zinc/16/12/45/918161245.db2.gz WQCDZIQMFBEEOP-HNNXBMFYSA-N -1 3 378.321 3.625 20 0 GHADHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC ZINC001191779818 918213424 /nfs/dbraw/zinc/21/34/24/918213424.db2.gz OVLDCRJTTHQHNI-SKDRFNHKSA-N -1 3 382.309 3.558 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000796564451 918242806 /nfs/dbraw/zinc/24/28/06/918242806.db2.gz FLLAXBLRYYOMTC-QGZVFWFLSA-N -1 3 381.428 3.551 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)c(-c2ccccc2)s1 ZINC001191915014 918319122 /nfs/dbraw/zinc/31/91/22/918319122.db2.gz BPZDYWRJZYCTOT-SHTZXODSSA-N -1 3 380.535 3.743 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001192168419 918461377 /nfs/dbraw/zinc/46/13/77/918461377.db2.gz WSESMSFVJCRRRM-DZGCQCFKSA-N -1 3 384.270 3.731 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000275923027 919483520 /nfs/dbraw/zinc/48/35/20/919483520.db2.gz VGZLVBVRFNEGLU-KBPBESRZSA-N -1 3 385.464 3.506 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000900026631 919760046 /nfs/dbraw/zinc/76/00/46/919760046.db2.gz KZXDSYSIKLWEAM-UHFFFAOYSA-N -1 3 384.476 3.628 20 0 GHADHM O=C(OCc1csc(CCc2ccccc2)n1)c1cc(F)cc2[n-]nnc21 ZINC000800261937 919801331 /nfs/dbraw/zinc/80/13/31/919801331.db2.gz CGXOPHYYPFWJIS-UHFFFAOYSA-N -1 3 382.420 3.696 20 0 GHADHM O=C(OCc1csc(CCc2ccccc2)n1)c1cc(F)cc2nn[n-]c21 ZINC000800261937 919801337 /nfs/dbraw/zinc/80/13/37/919801337.db2.gz CGXOPHYYPFWJIS-UHFFFAOYSA-N -1 3 382.420 3.696 20 0 GHADHM O=C(OCc1csc(CCc2ccccc2)n1)c1cc(F)cc2n[n-]nc21 ZINC000800261937 919801358 /nfs/dbraw/zinc/80/13/58/919801358.db2.gz CGXOPHYYPFWJIS-UHFFFAOYSA-N -1 3 382.420 3.696 20 0 GHADHM O=C([O-])C[C@@H]1COCC[C@@H]1NCc1sc(Sc2ccccc2)nc1Cl ZINC000900074560 919807599 /nfs/dbraw/zinc/80/75/99/919807599.db2.gz VOPNBLWUOUVZSR-YPMHNXCESA-N -1 3 398.937 3.917 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c([O-])c1 ZINC000800333933 919922300 /nfs/dbraw/zinc/92/23/00/919922300.db2.gz NEFMCBXUTAQZLX-GOSISDBHSA-N -1 3 397.475 3.530 20 0 GHADHM CN(Cc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)OC(C)(C)C ZINC000800466489 920136260 /nfs/dbraw/zinc/13/62/60/920136260.db2.gz BQSOUAVOPRVZJR-UHFFFAOYSA-N -1 3 399.426 3.716 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CCc2sccc2-3)c(=O)[n-]1 ZINC000900669323 920501298 /nfs/dbraw/zinc/50/12/98/920501298.db2.gz HNPSHFWNOXAFDT-UHFFFAOYSA-N -1 3 386.502 3.654 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000900734736 920560402 /nfs/dbraw/zinc/56/04/02/920560402.db2.gz JWMYVDQSYCZCOE-OAHLLOKOSA-N -1 3 375.881 3.643 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)o1 ZINC000800901513 920581853 /nfs/dbraw/zinc/58/18/53/920581853.db2.gz UUJIWGSMXOWBTC-GXFFZTMASA-N -1 3 379.865 3.664 20 0 GHADHM CCCCn1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1CC ZINC000365469206 920830648 /nfs/dbraw/zinc/83/06/48/920830648.db2.gz KEDNIWCDLNENOL-UHFFFAOYSA-N -1 3 379.464 3.557 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@H](C)c3ccccc3F)nc(=O)c2c1C ZINC000298784818 920924602 /nfs/dbraw/zinc/92/46/02/920924602.db2.gz VGVHBUNJOLMPKS-LLVKDONJSA-N -1 3 389.452 3.824 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(Cc2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000902144122 921916322 /nfs/dbraw/zinc/91/63/22/921916322.db2.gz VJCDAOVOZOGIFE-IBGZPJMESA-N -1 3 399.487 3.819 20 0 GHADHM O=C([O-])c1ccc(CNCc2ccc3c(c2)OCCCO3)cc1Br ZINC000902192598 921970940 /nfs/dbraw/zinc/97/09/40/921970940.db2.gz QZSMFBVIXIDNFA-UHFFFAOYSA-N -1 3 392.249 3.598 20 0 GHADHM CON1CC[C@@H](S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1=O ZINC000902284502 922057626 /nfs/dbraw/zinc/05/76/26/922057626.db2.gz XZKZMBFFXYMGGP-JOYOIKCWSA-N -1 3 391.474 3.613 20 0 GHADHM Cn1cc([C@@H](NCc2ccc(C(=O)[O-])c(Br)c2)C(C)(C)C)cn1 ZINC000902397799 922161251 /nfs/dbraw/zinc/16/12/51/922161251.db2.gz XFJCFPONFRZMSR-OAHLLOKOSA-N -1 3 380.286 3.758 20 0 GHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000902425958 922184348 /nfs/dbraw/zinc/18/43/48/922184348.db2.gz RMNHDKWQVHBJNM-KPHLJTLVSA-N -1 3 385.407 3.992 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000902425961 922184606 /nfs/dbraw/zinc/18/46/06/922184606.db2.gz RMNHDKWQVHBJNM-RPHGYIDUSA-N -1 3 385.407 3.992 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000802889139 922501155 /nfs/dbraw/zinc/50/11/55/922501155.db2.gz PVDJXKHQNDCRKB-ZDUSSCGKSA-N -1 3 390.155 3.846 20 0 GHADHM C[C@@H]1C[C@@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)[C@H](C)O1 ZINC000902945060 922626995 /nfs/dbraw/zinc/62/69/95/922626995.db2.gz CCNGTFZKWRXCKD-VGMNWLOBSA-N -1 3 386.748 3.775 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1CC(=O)[O-] ZINC000903629491 923138829 /nfs/dbraw/zinc/13/88/29/923138829.db2.gz IPVUEJFHSWQPPX-DGCLKSJQSA-N -1 3 379.254 3.647 20 0 GHADHM CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903673698 923184419 /nfs/dbraw/zinc/18/44/19/923184419.db2.gz DTXNPJKGCWXPIU-HNAYVOBHSA-N -1 3 387.549 3.882 20 0 GHADHM COCc1ncc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000803902032 923359593 /nfs/dbraw/zinc/35/95/93/923359593.db2.gz KQLBOZZMVPXVLC-MRVPVSSYSA-N -1 3 379.463 3.535 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903949307 923432098 /nfs/dbraw/zinc/43/20/98/923432098.db2.gz ADTCXZGMJPBCFW-IDYSPNNHSA-N -1 3 380.286 3.645 20 0 GHADHM Cc1c2ccccc2nc(CN2CCN(c3ccccc3)[C@H](C)C2)c1C(=O)[O-] ZINC000903957969 923436939 /nfs/dbraw/zinc/43/69/39/923436939.db2.gz SAYDVPWUNHZOAU-MRXNPFEDSA-N -1 3 375.472 3.952 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000369690716 923544887 /nfs/dbraw/zinc/54/48/87/923544887.db2.gz DYDAVLLCWXLHLH-UHFFFAOYSA-N -1 3 377.831 3.792 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1ccc(Cl)nc1Cl ZINC000748536950 923707605 /nfs/dbraw/zinc/70/76/05/923707605.db2.gz IPKSXULKQPZFSH-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccn1 ZINC000748613701 923743152 /nfs/dbraw/zinc/74/31/52/923743152.db2.gz UEDYIATZLWGVNN-UHFFFAOYSA-N -1 3 377.413 3.560 20 0 GHADHM O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000676773917 924067570 /nfs/dbraw/zinc/06/75/70/924067570.db2.gz HWMFCYYVIGDKRB-UHFFFAOYSA-N -1 3 381.819 3.826 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000677147022 924258961 /nfs/dbraw/zinc/25/89/61/924258961.db2.gz AGZXMWBDPNMECA-MAZHCROVSA-N -1 3 381.881 3.631 20 0 GHADHM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000370695792 924262381 /nfs/dbraw/zinc/26/23/81/924262381.db2.gz CYBVJTDWGWNLJK-QFIPXVFZSA-N -1 3 392.499 3.755 20 0 GHADHM Cc1sc(C(N)=O)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000677409361 924352477 /nfs/dbraw/zinc/35/24/77/924352477.db2.gz SLEJESFJZAINRV-UHFFFAOYSA-N -1 3 382.441 3.692 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000371255898 924498471 /nfs/dbraw/zinc/49/84/71/924498471.db2.gz MUPACCMJQBRZFK-CYBMUJFWSA-N -1 3 391.402 3.828 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc(F)c(Cl)cc3F)n[nH]2)cc1OC ZINC000677855026 924526261 /nfs/dbraw/zinc/52/62/61/924526261.db2.gz BFDQYVFWCAJDOF-UHFFFAOYSA-N -1 3 394.765 3.673 20 0 GHADHM CC(=O)CC(C)(C)CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000409504475 924701024 /nfs/dbraw/zinc/70/10/24/924701024.db2.gz YREACPPMCRTWRI-UHFFFAOYSA-N -1 3 396.260 3.734 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000678314130 924720378 /nfs/dbraw/zinc/72/03/78/924720378.db2.gz PVUILEYSQUENGJ-ACJLOTCBSA-N -1 3 379.378 3.775 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409831336 925047437 /nfs/dbraw/zinc/04/74/37/925047437.db2.gz JYZXFRBZYUMHGP-NSHDSACASA-N -1 3 375.354 3.552 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409831336 925047448 /nfs/dbraw/zinc/04/74/48/925047448.db2.gz JYZXFRBZYUMHGP-NSHDSACASA-N -1 3 375.354 3.552 20 0 GHADHM Cc1noc(C)c1[N-]C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000409902713 925115336 /nfs/dbraw/zinc/11/53/36/925115336.db2.gz OESVKGSAPYSKEY-UHFFFAOYSA-N -1 3 385.733 3.797 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000680502041 925496951 /nfs/dbraw/zinc/49/69/51/925496951.db2.gz DBEDQKGEZWPHRU-AWEZNQCLSA-N -1 3 379.787 3.931 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000680504050 925498038 /nfs/dbraw/zinc/49/80/38/925498038.db2.gz OLEWWWOAKFTGAF-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM Cn1nccc1[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000373024826 925819204 /nfs/dbraw/zinc/81/92/04/925819204.db2.gz NNBPAIDIIPLCNY-ZDUSSCGKSA-N -1 3 395.488 3.770 20 0 GHADHM CC(C)(CC(F)(F)F)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000682023051 925983679 /nfs/dbraw/zinc/98/36/79/925983679.db2.gz LVORLYUOYQUFSF-UHFFFAOYSA-N -1 3 391.187 3.751 20 0 GHADHM Cc1ccn(-c2ccccc2CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)n1 ZINC001137485821 926015875 /nfs/dbraw/zinc/01/58/75/926015875.db2.gz GLXWQTJGEPWEFQ-UHFFFAOYSA-N -1 3 392.846 3.606 20 0 GHADHM COCCN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC(C)C ZINC000411170651 926161456 /nfs/dbraw/zinc/16/14/56/926161456.db2.gz CAAYXOOXOXTJJP-UHFFFAOYSA-N -1 3 389.496 3.895 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1F)c1ccc(Cl)nc1Cl ZINC000725819032 926457467 /nfs/dbraw/zinc/45/74/67/926457467.db2.gz HNBCADBBHSYWHF-UHFFFAOYSA-N -1 3 395.308 3.739 20 0 GHADHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725821366 926458372 /nfs/dbraw/zinc/45/83/72/926458372.db2.gz DANARORECCWEGV-UHFFFAOYSA-N -1 3 389.304 3.697 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC(C)(C)C[C@H]3C)nc(=O)c2c1C ZINC000412035577 927030459 /nfs/dbraw/zinc/03/04/59/927030459.db2.gz GBEXQGJNWZPERN-PWSUYJOCSA-N -1 3 377.510 3.651 20 0 GHADHM CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276198695 927154713 /nfs/dbraw/zinc/15/47/13/927154713.db2.gz PAAKPIZOHILLLK-SUMWQHHRSA-N -1 3 378.900 3.555 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1[O-] ZINC000412214230 927216457 /nfs/dbraw/zinc/21/64/57/927216457.db2.gz LYNSUOQGIGLJSE-KRWDZBQOSA-N -1 3 377.444 3.558 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1[O-] ZINC000412241772 927249861 /nfs/dbraw/zinc/24/98/61/927249861.db2.gz LFZWVCKODZSOOH-KRWDZBQOSA-N -1 3 396.491 3.780 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000749794392 927273683 /nfs/dbraw/zinc/27/36/83/927273683.db2.gz HQHJCNTYAOGNKJ-KRWDZBQOSA-N -1 3 376.456 3.650 20 0 GHADHM CC(C)[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(Cl)c1 ZINC000750438462 927631171 /nfs/dbraw/zinc/63/11/71/927631171.db2.gz DHAIKZYKLZROEH-MRXNPFEDSA-N -1 3 379.865 3.641 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C1CCCCC1 ZINC000751067045 928011855 /nfs/dbraw/zinc/01/18/55/928011855.db2.gz LPQGIOVBKDQYPH-CYBMUJFWSA-N -1 3 388.917 3.549 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1csc2ccccc21 ZINC000751073774 928015487 /nfs/dbraw/zinc/01/54/87/928015487.db2.gz CEBGHGIFKKVYHQ-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM O=c1cc(CSc2nnc(Cc3cccs3)n2C2CC2)nc(C2CC2)[n-]1 ZINC000412983561 928070441 /nfs/dbraw/zinc/07/04/41/928070441.db2.gz AMJYCSIVNHMDMT-UHFFFAOYSA-N -1 3 385.518 3.931 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1c(F)cccc1F ZINC000751469345 928206426 /nfs/dbraw/zinc/20/64/26/928206426.db2.gz XZWLJEHCISAHLA-MLGOLLRUSA-N -1 3 393.814 3.548 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)[C@@H](O)c3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000751996020 928537273 /nfs/dbraw/zinc/53/72/73/928537273.db2.gz UTEIWIRVCLKWTL-MPBGBICISA-N -1 3 396.422 3.540 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(-c3cnn(C)c3)ccc2F)[nH][n-]1 ZINC000543941812 928590751 /nfs/dbraw/zinc/59/07/51/928590751.db2.gz JUAVMDREPBNALW-UHFFFAOYSA-N -1 3 375.407 3.599 20 0 GHADHM CCOC(=O)CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CCC1 ZINC000467174874 928788939 /nfs/dbraw/zinc/78/89/39/928788939.db2.gz HRGNFAGIOBNEBE-UHFFFAOYSA-N -1 3 387.461 3.575 20 0 GHADHM Cc1ncc(CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)c(=O)[n-]1 ZINC000544261508 928992745 /nfs/dbraw/zinc/99/27/45/928992745.db2.gz QQFHDBUYCQTLFU-UHFFFAOYSA-N -1 3 383.835 3.506 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc3cnccc32)[nH][n-]1 ZINC000467438260 929071454 /nfs/dbraw/zinc/07/14/54/929071454.db2.gz ZRIMXVMFRHNCBZ-UHFFFAOYSA-N -1 3 378.819 3.961 20 0 GHADHM COc1ccc2c(CC(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)coc2c1 ZINC000467719430 929337029 /nfs/dbraw/zinc/33/70/29/929337029.db2.gz AVCHLDOQRBZMDK-UHFFFAOYSA-N -1 3 383.354 3.713 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)n1 ZINC000753463629 929358939 /nfs/dbraw/zinc/35/89/39/929358939.db2.gz AOVFUCSSGXVWHA-UHFFFAOYSA-N -1 3 389.205 3.525 20 0 GHADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000757824080 929815602 /nfs/dbraw/zinc/81/56/02/929815602.db2.gz FZOCCMQCGPBNQD-MRXNPFEDSA-N -1 3 384.517 3.553 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1scnc1Br ZINC000758325720 930010861 /nfs/dbraw/zinc/01/08/61/930010861.db2.gz OTEIMGLKYRIBSW-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759334916 930344627 /nfs/dbraw/zinc/34/46/27/930344627.db2.gz SOEVXYPICTUWPO-MRXNPFEDSA-N -1 3 394.468 3.551 20 0 GHADHM C[C@H](CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000470217834 930460698 /nfs/dbraw/zinc/46/06/98/930460698.db2.gz AXMUOGDDHKWAOM-LLVKDONJSA-N -1 3 390.361 3.513 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)F)c1)c1noc(Cc2ccccc2)n1 ZINC000780810467 930602786 /nfs/dbraw/zinc/60/27/86/930602786.db2.gz PPHDMGFTSWNVAX-GFCCVEGCSA-N -1 3 393.415 3.638 20 0 GHADHM Cc1nc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1[C@@H](C)O ZINC000781014419 930672978 /nfs/dbraw/zinc/67/29/78/930672978.db2.gz WTTOGHZSETVBPM-QGZVFWFLSA-N -1 3 390.483 3.864 20 0 GHADHM O=C(OCc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000781158577 930720877 /nfs/dbraw/zinc/72/08/77/930720877.db2.gz HIOIJUNENLVDHS-INIZCTEOSA-N -1 3 377.799 3.533 20 0 GHADHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470717032 930847146 /nfs/dbraw/zinc/84/71/46/930847146.db2.gz QCMZDNZGBACKGE-UHFFFAOYSA-N -1 3 376.334 3.699 20 0 GHADHM CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000781940460 931037167 /nfs/dbraw/zinc/03/71/67/931037167.db2.gz NRIOAWUHYSATLC-UHFFFAOYSA-N -1 3 387.274 3.788 20 0 GHADHM CCc1cc2c(CN3CCC[C@](OC)(C(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000781977025 931049045 /nfs/dbraw/zinc/04/90/45/931049045.db2.gz HUNLZHNTSDINAY-GOSISDBHSA-N -1 3 385.382 3.604 20 0 GHADHM COc1ccc(N[C@H](c2ccccc2)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000782780099 931334227 /nfs/dbraw/zinc/33/42/27/931334227.db2.gz FBMYKNJUTLQNBA-HXUWFJFHSA-N -1 3 390.505 3.647 20 0 GHADHM CC(C)(C)n1nc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1C1CC1 ZINC000783023938 931389258 /nfs/dbraw/zinc/38/92/58/931389258.db2.gz KVASRQSNBFTQTB-UHFFFAOYSA-N -1 3 382.420 3.628 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783060392 931398660 /nfs/dbraw/zinc/39/86/60/931398660.db2.gz JHSOCCUFBCWAMB-UHFFFAOYSA-N -1 3 388.807 3.998 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c2c(n1)onc2C(C)C ZINC000783203799 931458121 /nfs/dbraw/zinc/45/81/21/931458121.db2.gz NDWNMXIWQAYHOS-UHFFFAOYSA-N -1 3 394.387 3.767 20 0 GHADHM CC(=O)c1ccc(C(=O)N(c2ccc([O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000783364357 931527110 /nfs/dbraw/zinc/52/71/10/931527110.db2.gz MNHKRFFSHYDNGM-UHFFFAOYSA-N -1 3 395.436 3.631 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnc(C(=O)[N-]c2nnc(-c3ccccc3)s2)cn1 ZINC000783387004 931532853 /nfs/dbraw/zinc/53/28/53/931532853.db2.gz FDVZQZJREBZVOT-UHFFFAOYSA-N -1 3 398.448 3.594 20 0 GHADHM COc1ccc(Oc2ccc(COC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)cc1 ZINC000783457864 931551838 /nfs/dbraw/zinc/55/18/38/931551838.db2.gz DWYPUHGXEFIMPF-UHFFFAOYSA-N -1 3 394.427 3.886 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000783678661 931615480 /nfs/dbraw/zinc/61/54/80/931615480.db2.gz CCLKMYGBXDRQIM-AQTBWJFISA-N -1 3 380.407 3.953 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000784101136 931784324 /nfs/dbraw/zinc/78/43/24/931784324.db2.gz ASXBAEUWSHKFRF-HNNXBMFYSA-N -1 3 395.198 3.526 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](F)C(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000784147852 931798252 /nfs/dbraw/zinc/79/82/52/931798252.db2.gz ZSWONTQLFNKQOQ-KRWDZBQOSA-N -1 3 382.432 3.868 20 0 GHADHM Cc1nnc([C@H](C)OC(=O)c2n[n-]c(-c3ccccc3)c2Br)s1 ZINC000784232239 931827684 /nfs/dbraw/zinc/82/76/84/931827684.db2.gz XQTHKLPJNPFNRV-QMMMGPOBSA-N -1 3 393.266 3.917 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C(F)(F)c1c(F)cccc1F ZINC000784385568 931876391 /nfs/dbraw/zinc/87/63/91/931876391.db2.gz JJKZHCFXGZKGHL-UHFFFAOYSA-N -1 3 382.269 3.556 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H](C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)O2 ZINC000796724897 932045278 /nfs/dbraw/zinc/04/52/78/932045278.db2.gz INDKGMNVZQRIJY-IBGZPJMESA-N -1 3 376.412 3.765 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC000797785653 932406938 /nfs/dbraw/zinc/40/69/38/932406938.db2.gz NYZVIYKJAAPTSJ-LALNJWKFSA-N -1 3 386.373 3.852 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1C ZINC000797816373 932414359 /nfs/dbraw/zinc/41/43/59/932414359.db2.gz DHZJVRLNUSZONJ-UHFFFAOYSA-N -1 3 378.450 3.600 20 0 GHADHM O=C([N-]CC1CCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1)C(F)(F)F ZINC000798404173 932632800 /nfs/dbraw/zinc/63/28/00/932632800.db2.gz MJJHSBAQEQSWML-KRWDZBQOSA-N -1 3 397.441 3.628 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798415450 932638446 /nfs/dbraw/zinc/63/84/46/932638446.db2.gz ZAWROFHRLHSJHW-AWEZNQCLSA-N -1 3 391.478 3.836 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCC4(CCC4)O3)cc2)cc(=O)[n-]1 ZINC000927728095 932672560 /nfs/dbraw/zinc/67/25/60/932672560.db2.gz IWHBSIDTDASIEA-QGZVFWFLSA-N -1 3 382.464 3.771 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)[n-]1 ZINC000559439255 932676713 /nfs/dbraw/zinc/67/67/13/932676713.db2.gz UDMYJMIKYZSNFM-UHFFFAOYSA-N -1 3 392.337 3.567 20 0 GHADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nc(C(F)(F)F)n1 ZINC000777659527 932735357 /nfs/dbraw/zinc/73/53/57/932735357.db2.gz MMMFJSWZSUXZEC-UHFFFAOYSA-N -1 3 383.330 3.714 20 0 GHADHM C[C@H]1C[C@@H](CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000799022511 932853579 /nfs/dbraw/zinc/85/35/79/932853579.db2.gz IFDAXGRNFVVWAX-ZFWWWQNUSA-N -1 3 376.463 3.756 20 0 GHADHM Cc1ccc(-c2nc(CN3CCC(C[N-]C(=O)C(F)(F)F)CC3)cs2)o1 ZINC000799172566 932896673 /nfs/dbraw/zinc/89/66/73/932896673.db2.gz RZGQEBHOYLESCR-UHFFFAOYSA-N -1 3 387.427 3.602 20 0 GHADHM Cc1nc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c(C)o1 ZINC000559992485 933002665 /nfs/dbraw/zinc/00/26/65/933002665.db2.gz AGHGXJJFYXOSPB-UHFFFAOYSA-N -1 3 387.197 3.556 20 0 GHADHM COCc1nc2sc(C(=O)[N-]c3c(C)noc3C(C)C)c(C)c2c(OC)n1 ZINC000928788344 933105682 /nfs/dbraw/zinc/10/56/82/933105682.db2.gz BDLZLRZSMOWPOM-UHFFFAOYSA-N -1 3 390.465 3.827 20 0 GHADHM O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000928970129 933182634 /nfs/dbraw/zinc/18/26/34/933182634.db2.gz YIDROYQYFCHXOK-UHFFFAOYSA-N -1 3 386.166 3.780 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)c1 ZINC001115929392 933248192 /nfs/dbraw/zinc/24/81/92/933248192.db2.gz KMYNZCMQUODNGR-UHFFFAOYSA-N -1 3 395.484 3.967 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000929148392 933259454 /nfs/dbraw/zinc/25/94/54/933259454.db2.gz CHJJTTOGCXKRJN-UHFFFAOYSA-N -1 3 382.410 3.901 20 0 GHADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000560943709 933713120 /nfs/dbraw/zinc/71/31/20/933713120.db2.gz OHJOHFHESXFWPW-UHFFFAOYSA-N -1 3 376.460 3.665 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)sc1Cl ZINC001116738843 933729407 /nfs/dbraw/zinc/72/94/07/933729407.db2.gz OKVGAKRCJOCORT-HIFRSBDPSA-N -1 3 388.917 3.573 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001116758228 933740776 /nfs/dbraw/zinc/74/07/76/933740776.db2.gz RQQKAKBPQFDSDG-NRFANRHFSA-N -1 3 391.471 3.728 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c2ccccc2n1C ZINC001117075482 933852872 /nfs/dbraw/zinc/85/28/72/933852872.db2.gz IOCBYFNUQCNLPQ-UHFFFAOYSA-N -1 3 383.517 3.883 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000930183225 933881526 /nfs/dbraw/zinc/88/15/26/933881526.db2.gz UCOCJTIGNNDAMD-WMZOPIPTSA-N -1 3 394.475 3.769 20 0 GHADHM C[C@@H]1CCc2sc(-c3nnc([C@H]([N-]S(C)(=O)=O)C(C)(C)C)o3)cc2C1 ZINC001117217615 933893023 /nfs/dbraw/zinc/89/30/23/933893023.db2.gz NNCVARFRTJINKA-YGRLFVJLSA-N -1 3 383.539 3.559 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4CCCN4c4ccccc43)c[n-]c12 ZINC000561129137 933894457 /nfs/dbraw/zinc/89/44/57/933894457.db2.gz IWQJXURYBWYBLQ-OAHLLOKOSA-N -1 3 377.419 3.605 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2F)c1 ZINC000561708908 934384767 /nfs/dbraw/zinc/38/47/67/934384767.db2.gz MMHZTRFWTGWLBC-UHFFFAOYSA-N -1 3 397.406 3.745 20 0 GHADHM Cc1c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cnn1C1CCCC1 ZINC001120724321 934500481 /nfs/dbraw/zinc/50/04/81/934500481.db2.gz XZTBRUISOBOLKE-UHFFFAOYSA-N -1 3 396.900 3.584 20 0 GHADHM Cc1cc(F)cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000562194880 934753749 /nfs/dbraw/zinc/75/37/49/934753749.db2.gz ZJYAXMGOBZLTFS-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM COc1cc([C@@H](C)NC(=O)N=c2cc3ccccn3[n-]2)ccc1OCC(C)C ZINC000562296438 934810950 /nfs/dbraw/zinc/81/09/50/934810950.db2.gz JQGICXSOAXZXDG-OAHLLOKOSA-N -1 3 382.464 3.682 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001123912551 935319111 /nfs/dbraw/zinc/31/91/11/935319111.db2.gz IHLCCHWMTDORPO-MRXNPFEDSA-N -1 3 398.532 3.558 20 0 GHADHM COc1cccnc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC001124189812 935354919 /nfs/dbraw/zinc/35/49/19/935354919.db2.gz XYNIZAVJOCYKJW-UHFFFAOYSA-N -1 3 376.438 3.625 20 0 GHADHM CCn1c2cc(F)ccc2nc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001137851893 935825655 /nfs/dbraw/zinc/82/56/55/935825655.db2.gz CBJFPEUWKKILEZ-UHFFFAOYSA-N -1 3 384.798 3.943 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1Cl ZINC000829755646 935856400 /nfs/dbraw/zinc/85/64/00/935856400.db2.gz UFHHNCQTDJUYPE-UHFFFAOYSA-N -1 3 397.880 3.707 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c([O-])c1 ZINC001137938030 935880295 /nfs/dbraw/zinc/88/02/95/935880295.db2.gz RYZXPXSHDYRLDI-ZSZQSSIHSA-N -1 3 377.481 3.985 20 0 GHADHM C[C@](O)(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(F)cc1 ZINC001137986507 935908933 /nfs/dbraw/zinc/90/89/33/935908933.db2.gz NGSOYRHLPAXAJX-QFIPXVFZSA-N -1 3 381.403 3.961 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCOc3ccccc32)c1 ZINC001573279630 946645471 /nfs/dbraw/zinc/64/54/71/946645471.db2.gz KNSGYEYGGAHGRO-CQSZACIVSA-N -1 3 386.253 3.955 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCOc3ccccc32)c1 ZINC001573279630 946645480 /nfs/dbraw/zinc/64/54/80/946645480.db2.gz KNSGYEYGGAHGRO-CQSZACIVSA-N -1 3 386.253 3.955 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NC2CC(Nc3ccccc3)C2)c1 ZINC001573279696 946648504 /nfs/dbraw/zinc/64/85/04/946648504.db2.gz LSSPBTHYJRWCFG-UHFFFAOYSA-N -1 3 385.269 3.684 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NC2CC(Nc3ccccc3)C2)c1 ZINC001573279696 946648516 /nfs/dbraw/zinc/64/85/16/946648516.db2.gz LSSPBTHYJRWCFG-UHFFFAOYSA-N -1 3 385.269 3.684 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NCCc2ccc3ccccc3n2)c1 ZINC001573280161 946657784 /nfs/dbraw/zinc/65/77/84/946657784.db2.gz PZKZHVHBJVUAQH-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NCCc2ccc3ccccc3n2)c1 ZINC001573280161 946657788 /nfs/dbraw/zinc/65/77/88/946657788.db2.gz PZKZHVHBJVUAQH-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc2c(ccnc2Cl)s1 ZINC001573553752 946891447 /nfs/dbraw/zinc/89/14/47/946891447.db2.gz KFDAIWFVOKRPGY-UHFFFAOYSA-N -1 3 398.835 3.585 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc2c(ccnc2Cl)s1 ZINC001573553752 946891458 /nfs/dbraw/zinc/89/14/58/946891458.db2.gz KFDAIWFVOKRPGY-UHFFFAOYSA-N -1 3 398.835 3.585 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC001573602948 947476714 /nfs/dbraw/zinc/47/67/14/947476714.db2.gz CGKGNIIGZQMNAV-SECBINFHSA-N -1 3 377.782 3.565 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC001573602948 947476720 /nfs/dbraw/zinc/47/67/20/947476720.db2.gz CGKGNIIGZQMNAV-SECBINFHSA-N -1 3 377.782 3.565 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573363042 947708860 /nfs/dbraw/zinc/70/88/60/947708860.db2.gz ATSXKDVNUJTIKM-BGUDHRFISA-N -1 3 395.507 3.539 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573363042 947708866 /nfs/dbraw/zinc/70/88/66/947708866.db2.gz ATSXKDVNUJTIKM-BGUDHRFISA-N -1 3 395.507 3.539 20 0 GHADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)[C@@H](C)C(C)(C)C ZINC001573718816 948521875 /nfs/dbraw/zinc/52/18/75/948521875.db2.gz UHOQUNZBMHDLJZ-ZIAGYGMSSA-N -1 3 375.542 3.534 20 0 GHADHM C[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)[C@@H](C)C(C)(C)C ZINC001573718816 948521879 /nfs/dbraw/zinc/52/18/79/948521879.db2.gz UHOQUNZBMHDLJZ-ZIAGYGMSSA-N -1 3 375.542 3.534 20 0 GHADHM CC(C)c1ccc2c(c1)CN(C(=O)Nc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC001574417497 948769957 /nfs/dbraw/zinc/76/99/57/948769957.db2.gz PPADNKMHNKRLGG-UHFFFAOYSA-N -1 3 380.427 3.719 20 0 GHADHM CC(C)c1ccc2c(c1)CN(C(=O)Nc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC001574417497 948769980 /nfs/dbraw/zinc/76/99/80/948769980.db2.gz PPADNKMHNKRLGG-UHFFFAOYSA-N -1 3 380.427 3.719 20 0 GHADHM CC(C)c1cccc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C2 ZINC001574419372 948782366 /nfs/dbraw/zinc/78/23/66/948782366.db2.gz DKLGAEVCQPEOKN-UHFFFAOYSA-N -1 3 388.397 3.967 20 0 GHADHM CC(C)c1cccc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C2 ZINC001574419372 948782384 /nfs/dbraw/zinc/78/23/84/948782384.db2.gz DKLGAEVCQPEOKN-UHFFFAOYSA-N -1 3 388.397 3.967 20 0 GHADHM CC(C)(C(=O)N1CC[C@@]1(C)C1CCCCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573764365 948888427 /nfs/dbraw/zinc/88/84/27/948888427.db2.gz OAJIKRGQNGEPCL-NRFANRHFSA-N -1 3 385.487 3.855 20 0 GHADHM CC(C)(C(=O)N1CC[C@@]1(C)C1CCCCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573764365 948888450 /nfs/dbraw/zinc/88/84/50/948888450.db2.gz OAJIKRGQNGEPCL-NRFANRHFSA-N -1 3 385.487 3.855 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC001574089939 948974420 /nfs/dbraw/zinc/97/44/20/948974420.db2.gz JLJCUYUCKBLXFL-APWZRJJASA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC001574089939 948974432 /nfs/dbraw/zinc/97/44/32/948974432.db2.gz JLJCUYUCKBLXFL-APWZRJJASA-N -1 3 385.512 3.555 20 0 GHADHM CC(F)(F)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001575244017 949007275 /nfs/dbraw/zinc/00/72/75/949007275.db2.gz UZVAHQRIPQAEEZ-UHFFFAOYSA-N -1 3 388.378 3.826 20 0 GHADHM CC(F)(F)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001575244017 949007284 /nfs/dbraw/zinc/00/72/84/949007284.db2.gz UZVAHQRIPQAEEZ-UHFFFAOYSA-N -1 3 388.378 3.826 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001574092594 949068675 /nfs/dbraw/zinc/06/86/75/949068675.db2.gz SAVQKLNHOUBHHP-RYUDHWBXSA-N -1 3 392.301 3.574 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001574092594 949068690 /nfs/dbraw/zinc/06/86/90/949068690.db2.gz SAVQKLNHOUBHHP-RYUDHWBXSA-N -1 3 392.301 3.574 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001575517374 949226871 /nfs/dbraw/zinc/22/68/71/949226871.db2.gz VHQOODBPJRKTBP-VIFPVBQESA-N -1 3 392.282 3.524 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001576158582 949502602 /nfs/dbraw/zinc/50/26/02/949502602.db2.gz UIVNJNCGKXLUBO-IUODEOHRSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001576158582 949502624 /nfs/dbraw/zinc/50/26/24/949502624.db2.gz UIVNJNCGKXLUBO-IUODEOHRSA-N -1 3 382.493 3.679 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001573845590 950237710 /nfs/dbraw/zinc/23/77/10/950237710.db2.gz HZZJJAHLLKRJEP-UHFFFAOYSA-N -1 3 384.509 3.686 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001573846707 950254484 /nfs/dbraw/zinc/25/44/84/950254484.db2.gz UQSMSNWKLXBOGY-ZWKOTPCHSA-N -1 3 390.491 3.867 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001573846707 950254500 /nfs/dbraw/zinc/25/45/00/950254500.db2.gz UQSMSNWKLXBOGY-ZWKOTPCHSA-N -1 3 390.491 3.867 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001573855511 950375994 /nfs/dbraw/zinc/37/59/94/950375994.db2.gz WNSKEZVSFSUAHM-GOEBONIOSA-N -1 3 396.520 3.925 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001573855511 950376013 /nfs/dbraw/zinc/37/60/13/950376013.db2.gz WNSKEZVSFSUAHM-GOEBONIOSA-N -1 3 396.520 3.925 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC001573876255 950666834 /nfs/dbraw/zinc/66/68/34/950666834.db2.gz IAZLTBORUIKMCW-UHFFFAOYSA-N -1 3 394.460 3.906 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC001573876255 950666850 /nfs/dbraw/zinc/66/68/50/950666850.db2.gz IAZLTBORUIKMCW-UHFFFAOYSA-N -1 3 394.460 3.906 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2coc(-c3cccnc3)n2)c1-c1nnn[n-]1 ZINC001573884745 950805287 /nfs/dbraw/zinc/80/52/87/950805287.db2.gz OKWVENFWRAKXEU-UHFFFAOYSA-N -1 3 395.448 3.528 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2coc(-c3cccnc3)n2)c1-c1nn[n-]n1 ZINC001573884745 950805309 /nfs/dbraw/zinc/80/53/09/950805309.db2.gz OKWVENFWRAKXEU-UHFFFAOYSA-N -1 3 395.448 3.528 20 0 GHADHM CC(C)(CC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(F)cc1 ZINC001573900230 951002964 /nfs/dbraw/zinc/00/29/64/951002964.db2.gz WOWIILMNZJHQCB-UHFFFAOYSA-N -1 3 390.422 3.860 20 0 GHADHM CC(C)(CC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(F)cc1 ZINC001573900230 951002982 /nfs/dbraw/zinc/00/29/82/951002982.db2.gz WOWIILMNZJHQCB-UHFFFAOYSA-N -1 3 390.422 3.860 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001575191152 952466252 /nfs/dbraw/zinc/46/62/52/952466252.db2.gz XHGAHAKKFNRLCN-QHCPKHFHSA-N -1 3 383.455 3.755 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001575191152 952466255 /nfs/dbraw/zinc/46/62/55/952466255.db2.gz XHGAHAKKFNRLCN-QHCPKHFHSA-N -1 3 383.455 3.755 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccc(Cl)cc1Br)O2 ZINC001594905344 954670500 /nfs/dbraw/zinc/67/05/00/954670500.db2.gz NFMITNKZYOSHPM-ULKWEWGCSA-N -1 3 388.689 3.605 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@H](Nc4ccccc4)C3)o2)C1 ZINC001594914497 954730205 /nfs/dbraw/zinc/73/02/05/954730205.db2.gz GZRJJZJPAUEHMK-MJGOQNOKSA-N -1 3 383.492 3.657 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC001603080576 972152691 /nfs/dbraw/zinc/15/26/91/972152691.db2.gz WKALGGYBCKUARV-HXUWFJFHSA-N -1 3 399.491 3.525 20 0 GHADHM C[C@](O)(CN1CCC(c2ccccc2C(=O)[O-])CC1)C(F)(F)C(F)(F)F ZINC001589137792 956240212 /nfs/dbraw/zinc/24/02/12/956240212.db2.gz BVQPABMESIYXLV-HNNXBMFYSA-N -1 3 381.341 3.513 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000391397731 972333019 /nfs/dbraw/zinc/33/30/19/972333019.db2.gz NRJRVPQSSNWRQB-GRYCIOLGSA-N -1 3 383.286 3.656 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001604181325 972607783 /nfs/dbraw/zinc/60/77/83/972607783.db2.gz LGFPQHAUZWCHSB-GOSISDBHSA-N -1 3 386.536 3.637 20 0 GHADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001604064052 974599762 /nfs/dbraw/zinc/59/97/62/974599762.db2.gz HLLNSSWBXQQAEE-UHFFFAOYSA-N -1 3 392.908 3.580 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCCC1)C(=O)[O-] ZINC001591870046 976198068 /nfs/dbraw/zinc/19/80/68/976198068.db2.gz GNIPLCXJTFRHML-RBUKOAKNSA-N -1 3 380.916 3.776 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000756331631 978697740 /nfs/dbraw/zinc/69/77/40/978697740.db2.gz BATVZOLEKARKCN-RTBURBONSA-N -1 3 375.852 3.813 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)(NCc1ccn(CCc2ccccc2)n1)C(=O)[O-] ZINC001592840888 979610772 /nfs/dbraw/zinc/61/07/72/979610772.db2.gz TVDFEOIMIRCSHJ-JOCHJYFZSA-N -1 3 397.906 3.955 20 0 GHADHM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)N1CCc2ccccc2C1 ZINC001595153110 979650825 /nfs/dbraw/zinc/65/08/25/979650825.db2.gz VFEDHDILPXGSLG-IBGZPJMESA-N -1 3 381.476 3.652 20 0 GHADHM COc1ccc(CC[C@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001625961442 1014592672 /nfs/dbraw/zinc/59/26/72/1014592672.db2.gz OWMYXQALBYWMAA-ZDUSSCGKSA-N -1 3 384.863 3.941 20 0 GHADHM CC[C@@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001595364477 980794665 /nfs/dbraw/zinc/79/46/65/980794665.db2.gz SNIDDHWUDXRMQI-NRFANRHFSA-N -1 3 381.520 3.792 20 0 GHADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2O[C@H](C)C(=O)[O-])C1 ZINC001595368712 980830523 /nfs/dbraw/zinc/83/05/23/980830523.db2.gz MZOLKRXKYQDMFB-ZHRRBRCNSA-N -1 3 391.508 3.872 20 0 GHADHM CCC(C)(C)N1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC001594805364 981907771 /nfs/dbraw/zinc/90/77/71/981907771.db2.gz ZLKVLWOCNVPNQD-UHFFFAOYSA-N -1 3 393.553 3.733 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc(Cl)cc1 ZINC001595836659 982743661 /nfs/dbraw/zinc/74/36/61/982743661.db2.gz HQBAGPDRUFPZDR-RPCJCACASA-N -1 3 392.927 3.874 20 0 GHADHM CC[C@H](C)c1ccc([C@H](NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595009488 982934400 /nfs/dbraw/zinc/93/44/00/982934400.db2.gz HRISOGDVLDBRDT-FFZOFVMBSA-N -1 3 389.540 3.555 20 0 GHADHM CCCOc1ccc(C(C)(C)NCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001595954554 983139392 /nfs/dbraw/zinc/13/93/92/983139392.db2.gz MKJASHZFPGHKIQ-UHFFFAOYSA-N -1 3 384.476 3.661 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccsc1 ZINC001596254272 983661773 /nfs/dbraw/zinc/66/17/73/983661773.db2.gz GYWQUNRCUSRLBZ-MRXNPFEDSA-N -1 3 397.447 3.929 20 0 GHADHM CCN1CCN(c2ccc(Nc3nc(Cl)c(C(=O)[O-])s3)c(C)c2)CC1 ZINC001596441852 984131138 /nfs/dbraw/zinc/13/11/38/984131138.db2.gz DLFSJFOLEFGKSW-UHFFFAOYSA-N -1 3 380.901 3.689 20 0 GHADHM CCOC(=O)c1csc(CC2CCN(Cc3cc(C(=O)[O-])cs3)CC2)n1 ZINC001596747275 985074400 /nfs/dbraw/zinc/07/44/00/985074400.db2.gz XYGCDPAHUSMGOV-UHFFFAOYSA-N -1 3 394.518 3.534 20 0 GHADHM CCOCOc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001596945073 986080305 /nfs/dbraw/zinc/08/03/05/986080305.db2.gz DKQIYNHKIWUOAV-UHFFFAOYSA-N -1 3 376.478 3.594 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001594545483 986209114 /nfs/dbraw/zinc/20/91/14/986209114.db2.gz SDJYSWBNVVQMPV-OAHLLOKOSA-N -1 3 385.439 3.510 20 0 GHADHM CCOc1c(Cl)cc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1OC ZINC001596987349 986266792 /nfs/dbraw/zinc/26/67/92/986266792.db2.gz WZGBCSFKYWEPMF-IBGZPJMESA-N -1 3 378.856 3.622 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC001597021270 986410056 /nfs/dbraw/zinc/41/00/56/986410056.db2.gz JKKAUBVJCBERAD-CJNGLKHVSA-N -1 3 389.452 3.627 20 0 GHADHM CCOc1cc(CN2CC[C@@H](SC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031090 986447680 /nfs/dbraw/zinc/44/76/80/986447680.db2.gz ITVIVPCIYFTVNT-MRXNPFEDSA-N -1 3 391.489 3.893 20 0 GHADHM CCOc1ccc(NC(=O)CCN2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)cc1 ZINC001597112489 986778900 /nfs/dbraw/zinc/77/89/00/986778900.db2.gz UHVALSBUCNMTSZ-LJQANCHMSA-N -1 3 399.491 3.678 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC001589508595 987129945 /nfs/dbraw/zinc/12/99/45/987129945.db2.gz KRODXLOFKIAXSK-FZKQIMNGSA-N -1 3 389.883 3.953 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC001589601564 987428450 /nfs/dbraw/zinc/42/84/50/987428450.db2.gz NULVXLGYMNIFNF-KRWDZBQOSA-N -1 3 378.831 3.859 20 0 GHADHM CCc1[nH]c(CNCc2cc3cc(Br)ccc3[nH]2)cc1C(=O)[O-] ZINC001597394898 987643952 /nfs/dbraw/zinc/64/39/52/987643952.db2.gz JGIITTYFHWWYTP-UHFFFAOYSA-N -1 3 376.254 3.809 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001597456883 987866278 /nfs/dbraw/zinc/86/62/78/987866278.db2.gz CWKSYQIUKFHBFC-FQEVSTJZSA-N -1 3 395.503 3.906 20 0 GHADHM CCc1ccccc1[C@@H](CNCc1ccc(C(=O)[O-])o1)NC(=O)OC(C)(C)C ZINC001597608805 988487084 /nfs/dbraw/zinc/48/70/84/988487084.db2.gz DPURYQDUYIVWEK-QGZVFWFLSA-N -1 3 388.464 3.896 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C3CCC3)cc2)[C@H](C(=O)[O-])C1 ZINC001590035492 989058500 /nfs/dbraw/zinc/05/85/00/989058500.db2.gz UIUIVNIYTCYXML-IBGZPJMESA-N -1 3 388.508 3.850 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC000468270282 1015530778 /nfs/dbraw/zinc/53/07/78/1015530778.db2.gz MCEOTXPYYBPEDZ-HNNXBMFYSA-N -1 3 386.254 3.764 20 0 GHADHM CN(C(=O)CN(C)C(C)(C)CC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001598019136 990205699 /nfs/dbraw/zinc/20/56/99/990205699.db2.gz JHKKLSLZCKJDRO-OAQYLSRUSA-N -1 3 386.467 3.559 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)n1Cc1ccncc1 ZINC000545139900 1015575378 /nfs/dbraw/zinc/57/53/78/1015575378.db2.gz RTWYUUFKQJIESW-UHFFFAOYSA-N -1 3 385.471 3.921 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)CC1 ZINC001591082738 991600815 /nfs/dbraw/zinc/60/08/15/991600815.db2.gz WXNZBFQXYVFUJC-UHFFFAOYSA-N -1 3 391.487 3.888 20 0 GHADHM Cc1cccc(C(=O)N2CCCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000468395881 1015665393 /nfs/dbraw/zinc/66/53/93/1015665393.db2.gz SERGMTCKRFJCCK-UHFFFAOYSA-N -1 3 398.478 3.537 20 0 GHADHM CN(CCN1Cc2sc(C(=O)[O-])c(Br)c2C1)Cc1ccccc1 ZINC001598488960 992254351 /nfs/dbraw/zinc/25/43/51/992254351.db2.gz PMOQWZJMVSLMDS-UHFFFAOYSA-N -1 3 395.322 3.656 20 0 GHADHM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)C[C@H](O)c1cccc(Br)c1 ZINC001598504410 992481648 /nfs/dbraw/zinc/48/16/48/992481648.db2.gz JZTNVFMHMFWIBG-INIZCTEOSA-N -1 3 393.281 3.518 20 0 GHADHM CC(C)N(C(=O)CCc1ccccc1C(=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001591538390 992716035 /nfs/dbraw/zinc/71/60/35/992716035.db2.gz FUFDTUJNZSQSIT-OAQYLSRUSA-N -1 3 394.515 3.829 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000468516743 1015770147 /nfs/dbraw/zinc/77/01/47/1015770147.db2.gz JGRBLARYAWFSMV-FQEVSTJZSA-N -1 3 385.414 3.632 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC001593131215 993878579 /nfs/dbraw/zinc/87/85/79/993878579.db2.gz LZTUIDSELCGMLT-CHWSQXEVSA-N -1 3 382.888 3.773 20 0 GHADHM C[C@@H](Oc1ccccc1CN1CC=C(c2c[nH]c3ncccc23)CC1)C(=O)[O-] ZINC001593646300 995983586 /nfs/dbraw/zinc/98/35/86/995983586.db2.gz WLYIJKVHDMSBNT-OAHLLOKOSA-N -1 3 377.444 3.704 20 0 GHADHM C[C@@H](Oc1ccccc1CNC[C@H](c1ccccc1Cl)N(C)C)C(=O)[O-] ZINC001593646607 995987039 /nfs/dbraw/zinc/98/70/39/995987039.db2.gz SZJDVGJBNAUQRJ-RDTXWAMCSA-N -1 3 376.884 3.584 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001593698435 996164649 /nfs/dbraw/zinc/16/46/49/996164649.db2.gz KHTJCSNQJXFGFR-GUYCJALGSA-N -1 3 397.393 3.836 20 0 GHADHM C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593734546 996326040 /nfs/dbraw/zinc/32/60/40/996326040.db2.gz ZREJCDMFPSZKCU-NIKGAXFTSA-N -1 3 395.434 3.661 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1nc(-c2ccccn2)cs1 ZINC000468822932 1016070334 /nfs/dbraw/zinc/07/03/34/1016070334.db2.gz FALKLDNVUSBILC-UHFFFAOYSA-N -1 3 385.464 3.731 20 0 GHADHM CO[C@@H]1CCC[C@H]([C@@H](NCc2csc(Nc3ccccc3)n2)C(=O)[O-])C1 ZINC001599114383 997626833 /nfs/dbraw/zinc/62/68/33/997626833.db2.gz UDSVKRSLGABKMI-IAOVAPTHSA-N -1 3 375.494 3.635 20 0 GHADHM COC(=O)c1cc(CN(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc(C(=O)[O-])c1 ZINC001598927750 997681601 /nfs/dbraw/zinc/68/16/01/997681601.db2.gz DBOHZLWMIVQOAI-PMACEKPBSA-N -1 3 397.471 3.849 20 0 GHADHM COC(=O)c1cc(CN2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc(C(=O)[O-])c1 ZINC001598932435 997790727 /nfs/dbraw/zinc/79/07/27/997790727.db2.gz VHFKCGXEOJDAOM-NRFANRHFSA-N -1 3 396.487 3.581 20 0 GHADHM COc1cc(Br)cc(CNCc2c3ccccc3[nH]c2C(=O)[O-])c1 ZINC001599346976 998024906 /nfs/dbraw/zinc/02/49/06/998024906.db2.gz WXUXIJDVRRCTGS-UHFFFAOYSA-N -1 3 389.249 3.927 20 0 GHADHM COc1ccc(CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC(F)F ZINC001599557873 998126695 /nfs/dbraw/zinc/12/66/95/998126695.db2.gz BQUGZDDMWHDXJO-CYBMUJFWSA-N -1 3 395.402 3.781 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)O1 ZINC001594103174 998127444 /nfs/dbraw/zinc/12/74/44/998127444.db2.gz NIPQJTXWSAZKGV-UONOGXRCSA-N -1 3 386.275 3.984 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)ccc1F ZINC000468901293 1016189018 /nfs/dbraw/zinc/18/90/18/1016189018.db2.gz JHDNIEKTMJDPLK-MRXNPFEDSA-N -1 3 389.370 3.517 20 0 GHADHM COC(=O)c1cc2cc(CN[C@H](C)c3ccc(OCC(=O)[O-])cc3)ccc2o1 ZINC001598957839 998276963 /nfs/dbraw/zinc/27/69/63/998276963.db2.gz OMHFUSGQPIOCEL-CYBMUJFWSA-N -1 3 383.400 3.534 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCc1cc(C(=O)[O-])ccc1F ZINC001594405491 999517685 /nfs/dbraw/zinc/51/76/85/999517685.db2.gz MEVXVTJBNCXYOR-IIYDPXPESA-N -1 3 380.460 3.648 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccsc2CC(=O)[O-])c2ccccc2)CC1 ZINC001594421986 999571937 /nfs/dbraw/zinc/57/19/37/999571937.db2.gz JXXQFHSJIJIEEQ-SFHVURJKSA-N -1 3 386.517 3.578 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)ccc1F ZINC000469082615 1016439343 /nfs/dbraw/zinc/43/93/43/1016439343.db2.gz UITBVWDJRWFDCR-OAHLLOKOSA-N 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ZINC001155177496 1032446380 /nfs/dbraw/zinc/44/63/80/1032446380.db2.gz SRZDOWAASQNYTF-UHFFFAOYSA-N -1 3 384.802 3.556 20 0 GHADHM Cc1cc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)n(Cc2ccccc2F)n1 ZINC001155177496 1032446384 /nfs/dbraw/zinc/44/63/84/1032446384.db2.gz SRZDOWAASQNYTF-UHFFFAOYSA-N -1 3 384.802 3.556 20 0 GHADHM COc1ccc(-c2oc3cc([O-])cc(O[C@@H](C)CN(C)C)c3c(=O)c2OC)cc1 ZINC001227684581 1032516592 /nfs/dbraw/zinc/51/65/92/1032516592.db2.gz YYIHEDQRKMOAJD-ZDUSSCGKSA-N -1 3 399.443 3.512 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC001204156075 1032608255 /nfs/dbraw/zinc/60/82/55/1032608255.db2.gz VUDOFMLAFLLRFT-UHFFFAOYSA-N -1 3 390.483 3.675 20 0 GHADHM CCCNC(=O)c1ccccc1OC1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001204158677 1032609268 /nfs/dbraw/zinc/60/92/68/1032609268.db2.gz GKUCCDPJPNGZPC-UHFFFAOYSA-N -1 3 396.487 3.568 20 0 GHADHM CCc1cccc(C(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)c1[O-] ZINC000562572430 1018332868 /nfs/dbraw/zinc/33/28/68/1018332868.db2.gz 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O=C([O-])[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(Cl)c(F)c1 ZINC000574024057 1019849073 /nfs/dbraw/zinc/84/90/73/1019849073.db2.gz NZZINRCAEKMREJ-SFHVURJKSA-N -1 3 379.815 3.946 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCCOCc2ccccc2)cnn1C1CCCC1 ZINC000575881423 1019954466 /nfs/dbraw/zinc/95/44/66/1019954466.db2.gz QEBQHLJMSNYUGZ-UHFFFAOYSA-N -1 3 377.510 3.655 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)OC(C)C)c3)ccc2[nH]1 ZINC000578095959 1020324778 /nfs/dbraw/zinc/32/47/78/1020324778.db2.gz OERKMMZYXUCBOL-UHFFFAOYSA-N -1 3 387.461 3.546 20 0 GHADHM CC(C)n1ncc2c1cc(Br)cc2C(=O)Nc1ncccc1[O-] ZINC001156135252 1032895186 /nfs/dbraw/zinc/89/51/86/1032895186.db2.gz WFEMJQGFROIIQA-UHFFFAOYSA-N -1 3 375.226 3.733 20 0 GHADHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccc(F)c(C)c1 ZINC000189597473 1020470467 /nfs/dbraw/zinc/47/04/67/1020470467.db2.gz MXXITDHJTHDUIV-INIZCTEOSA-N -1 3 382.229 3.606 20 0 GHADHM Cc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2Br)c([O-])c1 ZINC000191735494 1020804935 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389.477 3.769 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000836358321 1022914827 /nfs/dbraw/zinc/91/48/27/1022914827.db2.gz QHYFMLDDFATALK-UHFFFAOYSA-N -1 3 389.477 3.769 20 0 GHADHM [O-]c1c(F)cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1F ZINC001140988827 1023093925 /nfs/dbraw/zinc/09/39/25/1023093925.db2.gz NGGLDCJTALPXCD-UHFFFAOYSA-N -1 3 398.247 3.917 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1F ZINC001140988923 1023094281 /nfs/dbraw/zinc/09/42/81/1023094281.db2.gz QWGRXEAORJBLLQ-NQIIRXRSSA-N -1 3 390.430 3.516 20 0 GHADHM [O-]c1c(F)cc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1F ZINC001140993864 1023116560 /nfs/dbraw/zinc/11/65/60/1023116560.db2.gz QQITWDMXVBHUPN-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])c(=O)c2ccccc2n1C ZINC001156569665 1033106944 /nfs/dbraw/zinc/10/69/44/1033106944.db2.gz XIKIGDNQXSRLNT-UHFFFAOYSA-N -1 3 387.233 3.567 20 0 GHADHM CN1c2ccccc2C2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277333427 1033123679 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CON(Cc1ccccc1Cl)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001141635479 1025976838 /nfs/dbraw/zinc/97/68/38/1025976838.db2.gz LMLOKVQVAIMOJK-UHFFFAOYSA-N -1 3 378.762 3.664 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1[O-] ZINC000839732163 1026236179 /nfs/dbraw/zinc/23/61/79/1026236179.db2.gz VZFFZHPJYAGXAG-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM CC(C)CNC(=O)c1cc(Cl)nc([N-][C@H](c2cccnc2)C(F)(F)F)n1 ZINC001164181138 1026442605 /nfs/dbraw/zinc/44/26/05/1026442605.db2.gz VRSDLANMMBEWLI-CYBMUJFWSA-N -1 3 387.793 3.626 20 0 GHADHM COc1nc2ccc(NCCCc3c[n-][nH]c3=O)cc2cc1Cc1ccccc1 ZINC001164382001 1026502593 /nfs/dbraw/zinc/50/25/93/1026502593.db2.gz JMODDTWBFRFEMT-KRWDZBQOSA-N -1 3 388.471 3.758 20 0 GHADHM O=S(=O)([N-]CCOC1CCCCCC1)c1c2ncsc2ccc1Cl ZINC001209715838 1027110899 /nfs/dbraw/zinc/11/08/99/1027110899.db2.gz AVBYZCNVSUOBGL-UHFFFAOYSA-N -1 3 388.942 3.967 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nc2c(cc(F)cc2Br)s1 ZINC001210329653 1027453277 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20 0 GHADHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@@H]1F)c1ccc(Cl)c(Cl)c1 ZINC001213677482 1028324774 /nfs/dbraw/zinc/32/47/74/1028324774.db2.gz NQLQIXKEQMARKE-ZFWWWQNUSA-N -1 3 376.236 3.744 20 0 GHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CCCCCC1 ZINC001213816685 1028389447 /nfs/dbraw/zinc/38/94/47/1028389447.db2.gz JXHWJWLVPCOCSM-CYBMUJFWSA-N -1 3 393.958 3.748 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC12CCCCC2)c1cnc(-c2ccccc2)s1 ZINC001213928870 1028455076 /nfs/dbraw/zinc/45/50/76/1028455076.db2.gz FQPMLILSNFYAHQ-HNNXBMFYSA-N -1 3 378.519 3.580 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccn2)cc1F ZINC001213948570 1028467838 /nfs/dbraw/zinc/46/78/38/1028467838.db2.gz YQDMSGOCGPGQSU-LJQANCHMSA-N -1 3 388.439 3.931 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)ccc3Br)no2)[n-]1 ZINC001213974900 1028483284 /nfs/dbraw/zinc/48/32/84/1028483284.db2.gz GUZQAGKUPVXIHZ-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM COc1ccc(-c2noc(-c3cccc(OC)c3[O-])n2)c(Br)c1 ZINC001215143599 1029057650 /nfs/dbraw/zinc/05/76/50/1029057650.db2.gz FIAXIWQNRHMUIB-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cn1c2ccc(-c3noc(-c4c([O-])cccc4O)n3)cc2nc1C(F)(F)F ZINC001215302054 1029139351 /nfs/dbraw/zinc/13/93/51/1029139351.db2.gz PFUOELLSRWDWEF-UHFFFAOYSA-N -1 3 376.294 3.720 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001142653212 1029211634 /nfs/dbraw/zinc/21/16/34/1029211634.db2.gz IMDBJTCOOPRSDP-UHFFFAOYSA-N -1 3 383.835 3.689 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656004 1029215064 /nfs/dbraw/zinc/21/50/64/1029215064.db2.gz ADTQGAWDLWNVPT-CYBMUJFWSA-N -1 3 382.888 3.775 20 0 GHADHM COc1ccc(Nc2cccc(CN3CCCCC3)c2F)c(S(=O)(=O)[O-])c1 ZINC001215678899 1029345245 /nfs/dbraw/zinc/34/52/45/1029345245.db2.gz VMXNCJJPEWPKPC-UHFFFAOYSA-N -1 3 394.468 3.811 20 0 GHADHM c1ccc(COc2cc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)ccn2)cc1 ZINC001216108403 1029526766 /nfs/dbraw/zinc/52/67/66/1029526766.db2.gz YBGFDSPHSYLSQG-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2cc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)ccn2)cc1 ZINC001216108403 1029526773 /nfs/dbraw/zinc/52/67/73/1029526773.db2.gz YBGFDSPHSYLSQG-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Cc1cc([O-])c(-c2nc(-c3ccccc3I)no2)c(O)c1 ZINC001216267365 1029589289 /nfs/dbraw/zinc/58/92/89/1029589289.db2.gz IQKBCKZZHPQIJX-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM C[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000843030533 1029770316 /nfs/dbraw/zinc/77/03/16/1029770316.db2.gz ZSNWHSRPQWANAL-MLGOLLRUSA-N -1 3 397.435 3.602 20 0 GHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843151609 1029832230 /nfs/dbraw/zinc/83/22/30/1029832230.db2.gz OLXUWGUXDLRTFW-KRWDZBQOSA-N -1 3 386.477 3.502 20 0 GHADHM COc1ccc(-c2nc(-c3ncc(C)cc3Br)no2)c([O-])c1OC ZINC001216765392 1029924321 /nfs/dbraw/zinc/92/43/21/1029924321.db2.gz JYRBQKLDYIDVJA-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)c([O-])c1OC ZINC001216765417 1029924590 /nfs/dbraw/zinc/92/45/90/1029924590.db2.gz LBGPYKRBKGWZSX-UHFFFAOYSA-N -1 3 376.372 3.583 20 0 GHADHM CCOc1cccc(-c2nc(-c3ccc(Br)c(C)n3)no2)c1[O-] ZINC001216957025 1030029300 /nfs/dbraw/zinc/02/93/00/1030029300.db2.gz RHCKPCQXHZCZEA-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001216957245 1030029404 /nfs/dbraw/zinc/02/94/04/1030029404.db2.gz NDRVFSJRGFADDL-UHFFFAOYSA-N -1 3 391.383 3.668 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001216959893 1030033208 /nfs/dbraw/zinc/03/32/08/1030033208.db2.gz ZJGLIWGPAFLUMX-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM COc1c(C)cc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)cc1C ZINC001216961994 1030034045 /nfs/dbraw/zinc/03/40/45/1030034045.db2.gz LEMJQNATUGJHAM-UHFFFAOYSA-N -1 3 379.416 3.614 20 0 GHADHM CS(=O)(=O)c1ccccc1-c1noc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001216982047 1030050564 /nfs/dbraw/zinc/05/05/64/1030050564.db2.gz DRFRLFNVPWSZHB-UHFFFAOYSA-N -1 3 384.335 3.532 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1[O-] ZINC001149198964 1030088442 /nfs/dbraw/zinc/08/84/42/1030088442.db2.gz IUZBRVRINUIKPB-IMFGXOCKSA-N -1 3 380.488 3.916 20 0 GHADHM CC(C)Oc1ccccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC001217018132 1030093883 /nfs/dbraw/zinc/09/38/83/1030093883.db2.gz KWJJWLAOOZRRLD-UHFFFAOYSA-N -1 3 391.424 3.701 20 0 GHADHM Fc1cccc2c(-c3nc(-c4ccn5c(Br)cnc5c4)no3)[n-]nc21 ZINC001217322544 1030308292 /nfs/dbraw/zinc/30/82/92/1030308292.db2.gz ASMZERXFRHVQDK-UHFFFAOYSA-N -1 3 399.183 3.829 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc3c(c2)CCCC3=O)no1 ZINC001217470738 1030419468 /nfs/dbraw/zinc/41/94/68/1030419468.db2.gz CHIFJAJZMPBMNZ-UHFFFAOYSA-N -1 3 388.383 3.586 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5c(c4)CCCC5=O)no3)n[n-]c21 ZINC001217470738 1030419476 /nfs/dbraw/zinc/41/94/76/1030419476.db2.gz CHIFJAJZMPBMNZ-UHFFFAOYSA-N -1 3 388.383 3.586 20 0 GHADHM COCOc1ccccc1-c1noc(-c2c([O-])cnc3ccc(OC)cc32)n1 ZINC001217500005 1030441827 /nfs/dbraw/zinc/44/18/27/1030441827.db2.gz QKMRTARKDZFASM-UHFFFAOYSA-N -1 3 379.372 3.649 20 0 GHADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4nc5nc(Cl)ccc5[n-]4)n3)cn2)n1 ZINC001217552189 1030486434 /nfs/dbraw/zinc/48/64/34/1030486434.db2.gz BNIJZTURFWLQAK-UHFFFAOYSA-N -1 3 392.810 3.526 20 0 GHADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4nc5ccc(Cl)[n-]c-5n4)n3)cn2)n1 ZINC001217552189 1030486445 /nfs/dbraw/zinc/48/64/45/1030486445.db2.gz BNIJZTURFWLQAK-UHFFFAOYSA-N -1 3 392.810 3.526 20 0 GHADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4nc5ccc(Cl)nc5[n-]4)n3)cn2)n1 ZINC001217552189 1030486457 /nfs/dbraw/zinc/48/64/57/1030486457.db2.gz BNIJZTURFWLQAK-UHFFFAOYSA-N -1 3 392.810 3.526 20 0 GHADHM CC(C)(Cc1ccc(O)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001150395965 1030516919 /nfs/dbraw/zinc/51/69/19/1030516919.db2.gz ZAEREPDOCVVEQJ-UHFFFAOYSA-N -1 3 378.266 3.745 20 0 GHADHM O=C(c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)N(C1CCC1)C1CCOCC1 ZINC001150471688 1030537425 /nfs/dbraw/zinc/53/74/25/1030537425.db2.gz UPBHOTBUVSYPEM-UHFFFAOYSA-N -1 3 394.393 3.721 20 0 GHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nnc(CC2CCCCC2)o1 ZINC001217751303 1030642370 /nfs/dbraw/zinc/64/23/70/1030642370.db2.gz COTREJDOEXRJAU-KRWDZBQOSA-N -1 3 383.448 3.637 20 0 GHADHM O=c1[n-]c(CNCc2ccc(Sc3ccccc3)cc2)nc2c1COCC2 ZINC001461702343 1069688565 /nfs/dbraw/zinc/68/85/65/1069688565.db2.gz FCTXBOYDJJSLJE-UHFFFAOYSA-N -1 3 379.485 3.696 20 0 GHADHM Cc1ccc(SCCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC001151185024 1030798053 /nfs/dbraw/zinc/79/80/53/1030798053.db2.gz MFQFXRMSHQTNHH-HNNXBMFYSA-N -1 3 382.526 3.747 20 0 GHADHM O=c1c(OC2CC3(C2)CCC[NH2+]C3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218254911 1030856701 /nfs/dbraw/zinc/85/67/01/1030856701.db2.gz DSZIUXVQIURONK-UHFFFAOYSA-N -1 3 393.439 3.782 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cnccc1OC(F)F ZINC001151366255 1030879803 /nfs/dbraw/zinc/87/98/03/1030879803.db2.gz FIUOJCIPAYZPCH-UHFFFAOYSA-N -1 3 375.331 3.593 20 0 GHADHM O=C(Nc1nc2ccc(F)cc2o1)c1nc2cc(Br)ccc2[n-]1 ZINC001151819755 1031016713 /nfs/dbraw/zinc/01/67/13/1031016713.db2.gz MEYFJNGFZJLHEE-UHFFFAOYSA-N -1 3 375.157 3.858 20 0 GHADHM O=C(Nc1nc2ccc(F)cc2o1)c1nc2ccc(Br)cc2[n-]1 ZINC001151819755 1031016727 /nfs/dbraw/zinc/01/67/27/1031016727.db2.gz MEYFJNGFZJLHEE-UHFFFAOYSA-N -1 3 375.157 3.858 20 0 GHADHM Cc1cc(NC(=O)c2nc3cc(Br)ccc3[n-]2)cc2snnc21 ZINC001151827080 1031023158 /nfs/dbraw/zinc/02/31/58/1031023158.db2.gz VUCUCPNFEAUMIT-UHFFFAOYSA-N -1 3 388.250 3.891 20 0 GHADHM Cc1cc(NC(=O)c2nc3ccc(Br)cc3[n-]2)cc2snnc21 ZINC001151827080 1031023177 /nfs/dbraw/zinc/02/31/77/1031023177.db2.gz VUCUCPNFEAUMIT-UHFFFAOYSA-N -1 3 388.250 3.891 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)C2 ZINC001225577502 1031487335 /nfs/dbraw/zinc/48/73/35/1031487335.db2.gz XIWKSJDEHDUXNC-JGPRNRPPSA-N -1 3 389.374 3.510 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)ncc2C(F)(F)F)C(C)(C)C1 ZINC001225578545 1031488505 /nfs/dbraw/zinc/48/85/05/1031488505.db2.gz FJRPXLCJNSNFKJ-LLVKDONJSA-N -1 3 391.390 3.615 20 0 GHADHM O=C1N(CC2CCCC2)CC[C@]12CCN(Cc1cc(Cl)c([O-])cc1F)C2 ZINC001277056590 1031491904 /nfs/dbraw/zinc/49/19/04/1031491904.db2.gz IHTITJRDINGURQ-FQEVSTJZSA-N -1 3 380.891 3.799 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)c(=O)[n-]1 ZINC001277073620 1031614226 /nfs/dbraw/zinc/61/42/26/1031614226.db2.gz KVKAOZDLYVGXIG-UHFFFAOYSA-N -1 3 389.868 3.542 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)[C@H](F)C1 ZINC001225853894 1031653373 /nfs/dbraw/zinc/65/33/73/1031653373.db2.gz SPGUMGANTFZMTQ-BDAKNGLRSA-N -1 3 397.394 3.510 20 0 GHADHM CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)c3cnc4cccnc4c3[O-])C2)cc1 ZINC001153858312 1031776166 /nfs/dbraw/zinc/77/61/66/1031776166.db2.gz VJWVTOFAEHINJL-MRXNPFEDSA-N -1 3 391.471 3.730 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153876037 1031787020 /nfs/dbraw/zinc/78/70/20/1031787020.db2.gz JUJMCQMDLDINPJ-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001153901988 1031801096 /nfs/dbraw/zinc/80/10/96/1031801096.db2.gz YAZCVIAJIOFPSZ-OAHLLOKOSA-N -1 3 376.737 3.546 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CC[C@@H](c4ccccc4)C(F)(F)C3)[n-]c2c1 ZINC001154114575 1031935557 /nfs/dbraw/zinc/93/55/57/1031935557.db2.gz FOXFKPWWSXFTJK-KRWDZBQOSA-N -1 3 398.409 3.802 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)[n-]c2c1 ZINC001154119192 1031937237 /nfs/dbraw/zinc/93/72/37/1031937237.db2.gz IVXOYIVWFYMOQB-UHFFFAOYSA-N -1 3 375.428 3.565 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)[n-]c2c1 ZINC001154119887 1031937411 /nfs/dbraw/zinc/93/74/11/1031937411.db2.gz VLBRFUGTHXGTOX-HDDXYUSQSA-N -1 3 380.488 3.871 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1sc2cc(Cl)ccc2c1OC ZINC001154189268 1031975686 /nfs/dbraw/zinc/97/56/86/1031975686.db2.gz PDXGFAFOPLHTMM-UHFFFAOYSA-N -1 3 379.825 3.715 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1sc2cc(Cl)ccc2c1OC ZINC001154189268 1031975694 /nfs/dbraw/zinc/97/56/94/1031975694.db2.gz PDXGFAFOPLHTMM-UHFFFAOYSA-N -1 3 379.825 3.715 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001154192203 1031976908 /nfs/dbraw/zinc/97/69/08/1031976908.db2.gz LPMFJWDJJVPZHQ-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM COc1c2ccc(Cl)cc2sc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001154192203 1031976912 /nfs/dbraw/zinc/97/69/12/1031976912.db2.gz LPMFJWDJJVPZHQ-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM CO[C@@H](C)CO[C@@H](C)COc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492582 1031982725 /nfs/dbraw/zinc/98/27/25/1031982725.db2.gz ZCHWEWDXEBAOBG-GJZGRUSLSA-N -1 3 384.428 3.984 20 0 GHADHM O=C(Nc1ccc(-c2cnco2)c(OC(F)F)c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209808 1031986179 /nfs/dbraw/zinc/98/61/79/1031986179.db2.gz UPOHWYGFGNBTIX-UHFFFAOYSA-N -1 3 386.314 3.777 20 0 GHADHM COc1cccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1[O-] ZINC001154213654 1031988524 /nfs/dbraw/zinc/98/85/24/1031988524.db2.gz BUMPOTBXZLFRAU-AWEZNQCLSA-N -1 3 381.457 3.973 20 0 GHADHM CCOC(=O)[C@@H]1C[C@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])c2ccccc2O1 ZINC001226537272 1032000886 /nfs/dbraw/zinc/00/08/86/1032000886.db2.gz GWHNKQJYROEHBU-ICSRJNTNSA-N -1 3 396.395 3.641 20 0 GHADHM O=c1ccc2ccc([O-])c(O[C@H]3CCCN(Cc4cnc(Cl)s4)C3)c2o1 ZINC001226599387 1032035181 /nfs/dbraw/zinc/03/51/81/1032035181.db2.gz MKMTWCJAHKIVRR-LBPRGKRZSA-N -1 3 392.864 3.652 20 0 GHADHM COc1cc2ccc(=O)oc2c(O[C@@H]2CCCN(Cc3ccccc3F)C2)c1[O-] ZINC001229214537 1033345943 /nfs/dbraw/zinc/34/59/43/1033345943.db2.gz DUDYHEPOZBQKPD-MRXNPFEDSA-N -1 3 399.418 3.690 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1ccc(Br)cc1 ZINC001229337808 1033423049 /nfs/dbraw/zinc/42/30/49/1033423049.db2.gz KZPBVYOZXQSSKX-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1ccc(Br)cc1 ZINC001229337808 1033423054 /nfs/dbraw/zinc/42/30/54/1033423054.db2.gz KZPBVYOZXQSSKX-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H]1CCc2c1cccc2Br ZINC001229338077 1033423172 /nfs/dbraw/zinc/42/31/72/1033423172.db2.gz SQUPZJADWVYNLM-CQSZACIVSA-N -1 3 387.237 3.704 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H]1CCc2c1cccc2Br ZINC001229338077 1033423180 /nfs/dbraw/zinc/42/31/80/1033423180.db2.gz SQUPZJADWVYNLM-CQSZACIVSA-N -1 3 387.237 3.704 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157232739 1033484380 /nfs/dbraw/zinc/48/43/80/1033484380.db2.gz FISYMSMMFKGWHS-NEPJUHHUSA-N -1 3 384.402 3.983 20 0 GHADHM CCN1CCC[C@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(OC)cc2)O3)C1 ZINC001229463905 1033497420 /nfs/dbraw/zinc/49/74/20/1033497420.db2.gz KTDPGGKPAZIDSY-ICSRJNTNSA-N -1 3 397.471 3.970 20 0 GHADHM C=Cc1cc([O-])cc2nc(-c3ccc(O[C@@H]4CCN(C(C)=O)C4)c(F)c3)oc21 ZINC001229709476 1033655358 /nfs/dbraw/zinc/65/53/58/1033655358.db2.gz KHSWPOCNLFFXTH-MRXNPFEDSA-N -1 3 382.391 3.982 20 0 GHADHM CN1[C@@H]2CC[C@H]1C[C@H](Oc1cc(-c3coc4cc([O-])ccc4c3=O)ccc1O)C2 ZINC001229749629 1033685206 /nfs/dbraw/zinc/68/52/06/1033685206.db2.gz DHVYFYAPDMBLBF-SCAQPMJSSA-N -1 3 393.439 3.875 20 0 GHADHM Cc1c(Cl)cccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC001206053113 1033701962 /nfs/dbraw/zinc/70/19/62/1033701962.db2.gz ASZXUSNCTANOSX-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM Cc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c1Cl ZINC001206059850 1033703035 /nfs/dbraw/zinc/70/30/35/1033703035.db2.gz HCVCHNZZMHOIBQ-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM Cc1ccc(Cl)c(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c1 ZINC001206060569 1033703973 /nfs/dbraw/zinc/70/39/73/1033703973.db2.gz RSPVKCDHDOTACN-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM COC([O-])=NC(=S)N(c1cc(F)nc(C(F)(F)F)c1)c1ccccc1N ZINC001213011645 1033827754 /nfs/dbraw/zinc/82/77/54/1033827754.db2.gz GGZMXPXTCSXKGK-UHFFFAOYSA-N -1 3 388.346 3.601 20 0 GHADHM COC(=O)N=C([S-])N(c1cc(F)nc(C(F)(F)F)c1)c1ccccc1N ZINC001213011645 1033827767 /nfs/dbraw/zinc/82/77/67/1033827767.db2.gz GGZMXPXTCSXKGK-UHFFFAOYSA-N -1 3 388.346 3.601 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001230097074 1033896770 /nfs/dbraw/zinc/89/67/70/1033896770.db2.gz LRHVRBHRJRZESD-HZPDHXFCSA-N -1 3 391.478 3.693 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001158345596 1034037088 /nfs/dbraw/zinc/03/70/88/1034037088.db2.gz NIJXELZJJRPAAQ-IIBYNOLFSA-N -1 3 379.391 3.590 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001158345596 1034037098 /nfs/dbraw/zinc/03/70/98/1034037098.db2.gz NIJXELZJJRPAAQ-IIBYNOLFSA-N -1 3 379.391 3.590 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@@H]1CCN(c2ccccc2)c2ccccc21 ZINC001230500456 1034092001 /nfs/dbraw/zinc/09/20/01/1034092001.db2.gz LRFHWSHESIJZRC-LJQANCHMSA-N -1 3 391.427 3.560 20 0 GHADHM Cc1csc(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC001158719151 1034242898 /nfs/dbraw/zinc/24/28/98/1034242898.db2.gz KQZXNILWXUBDRB-UHFFFAOYSA-N -1 3 377.263 3.591 20 0 GHADHM CC(C)COc1ccc(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001158784036 1034270185 /nfs/dbraw/zinc/27/01/85/1034270185.db2.gz NPTPCYGVTSAPOS-IYARVYRRSA-N -1 3 383.492 3.602 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)c(N)c3Cl)nc21 ZINC001158873525 1034314836 /nfs/dbraw/zinc/31/48/36/1034314836.db2.gz KYXHGFUJTVGKIZ-UHFFFAOYSA-N -1 3 393.230 3.881 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC001231072706 1034378338 /nfs/dbraw/zinc/37/83/38/1034378338.db2.gz GCAUQQJAWPUMOW-INIZCTEOSA-N -1 3 385.468 3.568 20 0 GHADHM COC(=O)c1ccc2c(c1)N(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC001159235556 1034498683 /nfs/dbraw/zinc/49/86/83/1034498683.db2.gz BELMJSVCHZDNDV-UHFFFAOYSA-N -1 3 387.435 3.973 20 0 GHADHM COc1ccc(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c(C)c1 ZINC001159363383 1034564618 /nfs/dbraw/zinc/56/46/18/1034564618.db2.gz FAZJLXAWEDLMJN-UHFFFAOYSA-N -1 3 382.489 3.904 20 0 GHADHM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001159426165 1034591512 /nfs/dbraw/zinc/59/15/12/1034591512.db2.gz DKJFKDFKERUUDG-CQSZACIVSA-N -1 3 382.476 3.664 20 0 GHADHM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001159426163 1034591866 /nfs/dbraw/zinc/59/18/66/1034591866.db2.gz DKJFKDFKERUUDG-AWEZNQCLSA-N -1 3 382.476 3.664 20 0 GHADHM CCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001231464858 1034610245 /nfs/dbraw/zinc/61/02/45/1034610245.db2.gz ZJTIASHRLXEMBE-SFHVURJKSA-N -1 3 398.528 3.817 20 0 GHADHM O=C(c1ccccc1F)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231524382 1034677536 /nfs/dbraw/zinc/67/75/36/1034677536.db2.gz JCBOBBFPVQXYQZ-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277548967 1034826079 /nfs/dbraw/zinc/82/60/79/1034826079.db2.gz VFKMDLFLLZHQMS-IBGZPJMESA-N -1 3 395.341 3.912 20 0 GHADHM O=C1CCC2(CCN(Cc3ccc(Cl)c([O-])c3)CC2)N1Cc1ccncc1 ZINC001231736385 1034870413 /nfs/dbraw/zinc/87/04/13/1034870413.db2.gz GHTHMCLHDVOIAP-UHFFFAOYSA-N -1 3 385.895 3.598 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c1[O-] ZINC001160211056 1034902463 /nfs/dbraw/zinc/90/24/63/1034902463.db2.gz VBZXORPIPJJTAA-UHFFFAOYSA-N -1 3 384.329 3.693 20 0 GHADHM C[C@H](COc1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001208471525 1034907941 /nfs/dbraw/zinc/90/79/41/1034907941.db2.gz YWPPQZFMPLCRPI-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001231792569 1034912158 /nfs/dbraw/zinc/91/21/58/1034912158.db2.gz FTQGUGYTPQJPCG-IBGZPJMESA-N -1 3 389.879 3.985 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccccc2SCc2nc(C)no2)c1[O-] ZINC001160312304 1034935787 /nfs/dbraw/zinc/93/57/87/1034935787.db2.gz ANKIUHABIJLYKE-UHFFFAOYSA-N -1 3 383.429 3.831 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC001208856617 1035061329 /nfs/dbraw/zinc/06/13/29/1035061329.db2.gz UKAPBXPXMZJPLM-GJZGRUSLSA-N -1 3 385.501 3.743 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001160948469 1035102341 /nfs/dbraw/zinc/10/23/41/1035102341.db2.gz KYJRNRUEMCHKEL-UHFFFAOYSA-N -1 3 381.505 3.819 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001160948469 1035102343 /nfs/dbraw/zinc/10/23/43/1035102343.db2.gz KYJRNRUEMCHKEL-UHFFFAOYSA-N -1 3 381.505 3.819 20 0 GHADHM O=C(CCCc1ccc2c(c1)CCCC2)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160955279 1035104849 /nfs/dbraw/zinc/10/48/49/1035104849.db2.gz QITSRZYLCLLAQH-UHFFFAOYSA-N -1 3 375.476 3.631 20 0 GHADHM O=C(CCCc1ccc2c(c1)CCCC2)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160955279 1035104851 /nfs/dbraw/zinc/10/48/51/1035104851.db2.gz QITSRZYLCLLAQH-UHFFFAOYSA-N -1 3 375.476 3.631 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001161020255 1035121646 /nfs/dbraw/zinc/12/16/46/1035121646.db2.gz ADWHTGUYTUIMPD-SFHVURJKSA-N -1 3 382.847 3.885 20 0 GHADHM CP(C)(=O)c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC001161279363 1035200292 /nfs/dbraw/zinc/20/02/92/1035200292.db2.gz DETKWDXMFGAMHP-UHFFFAOYSA-N -1 3 380.344 3.718 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])N(C)C)cc1 ZINC001161378595 1035219211 /nfs/dbraw/zinc/21/92/11/1035219211.db2.gz YRUFJYBYOCYBNW-MRXNPFEDSA-N -1 3 382.888 3.939 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2Cc2cccc(Cl)c2)o1 ZINC001209266602 1035227112 /nfs/dbraw/zinc/22/71/12/1035227112.db2.gz OVGKDONLUYDHDB-QGZVFWFLSA-N -1 3 382.913 3.574 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001248248645 1035696150 /nfs/dbraw/zinc/69/61/50/1035696150.db2.gz BGBYTGTZJMSUAX-NSHDSACASA-N -1 3 384.745 3.752 20 0 GHADHM Cc1ccc(-c2noc(CNC(=O)c3ccccc3[O-])n2)cc1C(F)(F)F ZINC001248499926 1035917827 /nfs/dbraw/zinc/91/78/27/1035917827.db2.gz VCHVFMIYZVWTAF-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM CN(C)C(=O)c1cccc(Nc2cn(C(=O)OC(C)(C)C)c3cnccc23)c1[O-] ZINC001248690907 1036056969 /nfs/dbraw/zinc/05/69/69/1036056969.db2.gz UVEUFHYRBDGOTQ-UHFFFAOYSA-N -1 3 396.447 3.971 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(Br)ncc1Br ZINC001244735057 1036619649 /nfs/dbraw/zinc/61/96/49/1036619649.db2.gz MQMIFRMVWMTOAS-UHFFFAOYSA-N -1 3 395.058 3.762 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(Br)ncc1Br ZINC001244735057 1036619653 /nfs/dbraw/zinc/61/96/53/1036619653.db2.gz MQMIFRMVWMTOAS-UHFFFAOYSA-N -1 3 395.058 3.762 20 0 GHADHM CCCC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H](N)Cc4nnn[n-]4)n3)cc2)CC1 ZINC001247302613 1038089318 /nfs/dbraw/zinc/08/93/18/1038089318.db2.gz PRLDEIRKARJRTK-MPGHIAIKSA-N -1 3 395.511 3.956 20 0 GHADHM CCCC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H](N)Cc4nn[n-]n4)n3)cc2)CC1 ZINC001247302613 1038089342 /nfs/dbraw/zinc/08/93/42/1038089342.db2.gz PRLDEIRKARJRTK-MPGHIAIKSA-N -1 3 395.511 3.956 20 0 GHADHM [O-]c1cc(Br)cnc1CNCCOc1ccc(F)c(Cl)c1 ZINC001462256122 1070124454 /nfs/dbraw/zinc/12/44/54/1070124454.db2.gz PZRPUXBSXVNVDC-UHFFFAOYSA-N -1 3 375.625 3.511 20 0 GHADHM [O-]c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1I ZINC001232873206 1038642399 /nfs/dbraw/zinc/64/23/99/1038642399.db2.gz SKWDPKQDVPENDG-QGZVFWFLSA-N -1 3 395.240 3.570 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232889700 1038674796 /nfs/dbraw/zinc/67/47/96/1038674796.db2.gz ILEPQJHGCXRHKS-IBGZPJMESA-N -1 3 399.466 3.903 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036535 1038791505 /nfs/dbraw/zinc/79/15/05/1038791505.db2.gz RQIGBZWDJZXFAO-GOSISDBHSA-N -1 3 377.897 3.521 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)c(Br)cnc2Cl)cc1 ZINC001252102139 1038858880 /nfs/dbraw/zinc/85/88/80/1038858880.db2.gz HPNKZERDBHSBIJ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCCc2c(=O)[n-]cnc21 ZINC001462319224 1070167410 /nfs/dbraw/zinc/16/74/10/1070167410.db2.gz ISEAFJSZAINYCQ-UHFFFAOYSA-N -1 3 382.807 3.616 20 0 GHADHM [O-]c1cc(I)cc(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC001252265897 1038917260 /nfs/dbraw/zinc/91/72/60/1038917260.db2.gz DUFBNTGXFMIJRM-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1F ZINC001233394557 1039228615 /nfs/dbraw/zinc/22/86/15/1039228615.db2.gz RUQXTQLNMBEPGH-MRXNPFEDSA-N -1 3 381.463 3.716 20 0 GHADHM COc1ccc(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c(Cl)c1[O-] ZINC001233398606 1039234730 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BQNBGLCFLGOWEM-QGZVFWFLSA-N -1 3 378.384 3.536 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3nc[n-]c(=O)c3-c3ccccc3)[C@@H]2C1 ZINC001234690213 1040222859 /nfs/dbraw/zinc/22/28/59/1040222859.db2.gz ARAPMDDYZSGETR-BBWFWOEESA-N -1 3 397.475 3.874 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCn3ccnc31)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759231 1040290099 /nfs/dbraw/zinc/29/00/99/1040290099.db2.gz OHAWWTYZVKCUOX-IRXDYDNUSA-N -1 3 392.411 3.828 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCOC[C@H]1F)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234763754 1040292154 /nfs/dbraw/zinc/29/21/54/1040292154.db2.gz XUOWDRGORWPTML-XYPHTWIQSA-N -1 3 388.391 3.613 20 0 GHADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccnc(C(=O)OC(C)(C)C)c3)on2)cc1 ZINC001278794762 1040350271 /nfs/dbraw/zinc/35/02/71/1040350271.db2.gz CJWAOHFGOCNPSZ-UHFFFAOYSA-N -1 3 379.416 3.675 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2c(F)cc(C(=O)OC)c(F)c2C)cc1 ZINC001255217703 1040911995 /nfs/dbraw/zinc/91/19/95/1040911995.db2.gz RRYYONLYAKONSL-UHFFFAOYSA-N -1 3 383.416 3.813 20 0 GHADHM [O-]c1c(F)cc(CN2CCN[C@@H](c3cccc(Br)c3)C2)cc1F ZINC001235794823 1041292245 /nfs/dbraw/zinc/29/22/45/1041292245.db2.gz XNCPYZGZXUSHTA-MRXNPFEDSA-N -1 3 383.236 3.579 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)c(C)cc1Cl ZINC001256195923 1041641647 /nfs/dbraw/zinc/64/16/47/1041641647.db2.gz UYIRRADQQGANEM-UHFFFAOYSA-N -1 3 394.924 3.903 20 0 GHADHM CC(=O)c1ccc(N2CCN(Cc3ccc(Br)c([O-])c3)CC2)cc1 ZINC001236683745 1041828920 /nfs/dbraw/zinc/82/89/20/1041828920.db2.gz DVLONAFWDPUAHR-UHFFFAOYSA-N -1 3 389.293 3.680 20 0 GHADHM Cc1cccnc1N1CCCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236683787 1041829123 /nfs/dbraw/zinc/82/91/23/1041829123.db2.gz FRJOXQXXUIRILX-UHFFFAOYSA-N -1 3 376.298 3.570 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1ccc(Br)c([O-])c1 ZINC001236683641 1041829217 /nfs/dbraw/zinc/82/92/17/1041829217.db2.gz CRJZYBYGQXBWRX-ZDUSSCGKSA-N -1 3 385.302 3.644 20 0 GHADHM Cc1ccc(-c2cncc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c2)cc1 ZINC001236998977 1041984426 /nfs/dbraw/zinc/98/44/26/1041984426.db2.gz NCKYYLQVKWEPFL-UHFFFAOYSA-N -1 3 387.483 3.721 20 0 GHADHM [O-]c1cc(F)cc(CN2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)c1 ZINC001237276349 1042119632 /nfs/dbraw/zinc/11/96/32/1042119632.db2.gz BOBRYMOTNHKPBM-UHFFFAOYSA-N -1 3 389.780 3.921 20 0 GHADHM [O-]c1cc(F)cc(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC001237278909 1042120108 /nfs/dbraw/zinc/12/01/08/1042120108.db2.gz NEVUZSVSWMGKLU-PGRDOPGGSA-N -1 3 386.467 3.514 20 0 GHADHM Cc1ccc(Cl)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC001237339346 1042155879 /nfs/dbraw/zinc/15/58/79/1042155879.db2.gz JXPSURSRLVSXDU-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM COC(=O)c1cccc(-c2cccc([N-]S(=O)(=O)c3ccc(N)cc3)c2)c1 ZINC001237917469 1042422070 /nfs/dbraw/zinc/42/20/70/1042422070.db2.gz MXYYWKFGWLNPGH-UHFFFAOYSA-N -1 3 382.441 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238233613 1042527389 /nfs/dbraw/zinc/52/73/89/1042527389.db2.gz NDERDQKHPIVSRS-UHFFFAOYSA-N -1 3 392.471 3.889 20 0 GHADHM CCOC(=O)C[C@@H]1CCN(Cc2c(Br)ccc([O-])c2F)C[C@@H]1C ZINC001238313575 1042552589 /nfs/dbraw/zinc/55/25/89/1042552589.db2.gz WWQQJDVEOMPDJX-RYUDHWBXSA-N -1 3 388.277 3.705 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(Cl)nc2Br)c1 ZINC001256873067 1043713275 /nfs/dbraw/zinc/71/32/75/1043713275.db2.gz MTBZSLHKFXKSAM-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001292553919 1043784312 /nfs/dbraw/zinc/78/43/12/1043784312.db2.gz DFILWOMBDFAHIS-UONOGXRCSA-N -1 3 394.537 3.880 20 0 GHADHM COc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1[O-] ZINC001292733677 1043853431 /nfs/dbraw/zinc/85/34/31/1043853431.db2.gz LSISPMSCVPQPOP-UHFFFAOYSA-N -1 3 396.422 3.777 20 0 GHADHM Cc1[nH]nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)c1C ZINC001292820347 1043895795 /nfs/dbraw/zinc/89/57/95/1043895795.db2.gz IZMOYVBOCGLCMZ-UHFFFAOYSA-N -1 3 398.488 3.696 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC001292897673 1043935407 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GHADHM C[C@H]1CN(CCc2nnc(-c3cccc(-c4ccccc4)c3[O-])o2)C[C@H](C)O1 ZINC001258019979 1044345037 /nfs/dbraw/zinc/34/50/37/1044345037.db2.gz PMXXYAHAFGJDEV-HOTGVXAUSA-N -1 3 379.460 3.761 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(OCC2CCCC2)CC1 ZINC001294407122 1044607604 /nfs/dbraw/zinc/60/76/04/1044607604.db2.gz PQEUTIRUZHMHCA-UHFFFAOYSA-N -1 3 390.430 3.618 20 0 GHADHM CCO[C@H](CCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCCC1 ZINC001294458297 1044644868 /nfs/dbraw/zinc/64/48/68/1044644868.db2.gz NYJIMAKDBNXTNF-QGZVFWFLSA-N -1 3 376.884 3.897 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1C(F)(F)F ZINC001258804672 1044771051 /nfs/dbraw/zinc/77/10/51/1044771051.db2.gz HYUWOAUPXYKDRF-UHFFFAOYSA-N -1 3 376.400 3.610 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C(F)(F)F)c(OC)c1 ZINC001258963119 1044908921 /nfs/dbraw/zinc/90/89/21/1044908921.db2.gz DEZBAPXTBFAISI-INIZCTEOSA-N -1 3 389.395 3.594 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cnc3c(F)cccc3c1)C(=O)C2 ZINC001258967711 1044911501 /nfs/dbraw/zinc/91/15/01/1044911501.db2.gz CMXCUQFYXSWJAQ-DJJJIMSYSA-N -1 3 376.453 3.511 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)c(F)c1Cl)C(=O)C2 ZINC001258973745 1044913512 /nfs/dbraw/zinc/91/35/12/1044913512.db2.gz WGBOMUHTCJTMLB-FVMDXXJSSA-N -1 3 377.840 3.755 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2 ZINC001259049928 1044936241 /nfs/dbraw/zinc/93/62/41/1044936241.db2.gz DLCLGBJAQIZOPI-FQEVSTJZSA-N -1 3 378.453 3.634 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(Br)s1 ZINC001259059733 1044941891 /nfs/dbraw/zinc/94/18/91/1044941891.db2.gz WZWMPYQAERPBCO-WDEREUQCSA-N -1 3 392.727 3.998 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(C)c(Cl)nc2Br)c1 ZINC001259184781 1044997234 /nfs/dbraw/zinc/99/72/34/1044997234.db2.gz UNXSLYGPPZZQLP-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1cccc(-c3ccccc3)c1)C(=O)N2 ZINC001259232318 1045028801 /nfs/dbraw/zinc/02/88/01/1045028801.db2.gz RFHGKBDRIXEMIH-HXUWFJFHSA-N -1 3 378.453 3.634 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ncc(Br)cc1F ZINC001259235510 1045031393 /nfs/dbraw/zinc/03/13/93/1045031393.db2.gz YYOXXTGWYBMSMB-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cnc1Br ZINC001295546545 1045048702 /nfs/dbraw/zinc/04/87/02/1045048702.db2.gz XGHDKFWVDBMFEM-UHFFFAOYSA-N -1 3 394.175 3.525 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2c(F)cccc2OC[C@H]2CCCO2)cc1 ZINC001259265142 1045052345 /nfs/dbraw/zinc/05/23/45/1045052345.db2.gz CCWWFLFWWQBEEQ-MRXNPFEDSA-N -1 3 379.453 3.634 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Cl)c1 ZINC001259311972 1045071585 /nfs/dbraw/zinc/07/15/85/1045071585.db2.gz ZOYGSDABCINGIU-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C ZINC001259355876 1045095559 /nfs/dbraw/zinc/09/55/59/1045095559.db2.gz FVWYUNAGEMDHIP-UHFFFAOYSA-N -1 3 382.279 3.802 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc(C(F)(F)F)c1 ZINC001259369124 1045104308 /nfs/dbraw/zinc/10/43/08/1045104308.db2.gz OPYOJMQEUKKFDC-UHFFFAOYSA-N -1 3 397.378 3.701 20 0 GHADHM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259369617 1045104394 /nfs/dbraw/zinc/10/43/94/1045104394.db2.gz LFLMFOXLYIGKKD-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM COC(=O)CCCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC001259407061 1045129600 /nfs/dbraw/zinc/12/96/00/1045129600.db2.gz KOSIBIYEFCZSMK-UHFFFAOYSA-N -1 3 391.489 3.770 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cc1 ZINC001259431014 1045147045 /nfs/dbraw/zinc/14/70/45/1045147045.db2.gz QDSMNYRSSOLFHL-UHFFFAOYSA-N -1 3 387.404 3.504 20 0 GHADHM Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259430919 1045147104 /nfs/dbraw/zinc/14/71/04/1045147104.db2.gz LJVICUFVQIGVKM-UHFFFAOYSA-N -1 3 379.331 3.999 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1ccc(Cl)cc1 ZINC001259472281 1045184444 /nfs/dbraw/zinc/18/44/44/1045184444.db2.gz OFUMGOFYZRZOHI-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2cccnc2)cc1C(F)(F)F ZINC001259609215 1045242661 /nfs/dbraw/zinc/24/26/61/1045242661.db2.gz MKCZQJARJBZMAX-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCOP(=O)(OCC)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC001259738515 1045280902 /nfs/dbraw/zinc/28/09/02/1045280902.db2.gz DOYOFQGSBMLJHV-UHFFFAOYSA-N -1 3 397.433 3.562 20 0 GHADHM CCS[C@@H](C(=O)Nc1ccc(I)cc1[O-])C(C)C ZINC001296282118 1045294671 /nfs/dbraw/zinc/29/46/71/1045294671.db2.gz DYCQNHRTALVCLS-GFCCVEGCSA-N -1 3 379.263 3.713 20 0 GHADHM O=c1cc(CNc2ncnc3cc(F)c(Br)cc32)nc(C2CC2)[n-]1 ZINC001307210046 1045294877 /nfs/dbraw/zinc/29/48/77/1045294877.db2.gz XXEMIHGWJLEIHP-UHFFFAOYSA-N -1 3 390.216 3.517 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC001259849450 1045317843 /nfs/dbraw/zinc/31/78/43/1045317843.db2.gz SOWQAKHFWUKPDF-UHFFFAOYSA-N -1 3 375.446 3.785 20 0 GHADHM O=S(=O)([N-]c1c(O)cc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCO2 ZINC001259850497 1045318404 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20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](O)Cc1ccccc1Cl ZINC001298513174 1045843664 /nfs/dbraw/zinc/84/36/64/1045843664.db2.gz HPTJRUPSYDSTJB-CQSZACIVSA-N -1 3 384.657 3.659 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001261062588 1045882751 /nfs/dbraw/zinc/88/27/51/1045882751.db2.gz LXNCECNEWOKDLE-IJLUTSLNSA-N -1 3 391.942 3.825 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001298995511 1045995527 /nfs/dbraw/zinc/99/55/27/1045995527.db2.gz QDGTUCTYJLYDJJ-ZBFHGGJFSA-N -1 3 385.830 3.715 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001298995511 1045995535 /nfs/dbraw/zinc/99/55/35/1045995535.db2.gz QDGTUCTYJLYDJJ-ZBFHGGJFSA-N -1 3 385.830 3.715 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)c2c(=O)n1C ZINC001299777681 1046030032 /nfs/dbraw/zinc/03/00/32/1046030032.db2.gz GQZPDDMFPVGEFP-UHFFFAOYSA-N -1 3 390.230 3.610 20 0 GHADHM Cc1ccccc1-n1nccc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 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O=S(=O)([N-][C@@H]1C[C@@H]1C1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC001463214375 1070915684 /nfs/dbraw/zinc/91/56/84/1070915684.db2.gz OJEQNUUNJLTOEY-DGCLKSJQSA-N -1 3 393.734 3.745 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c3c(sc2-n2cccc2)CCC3)[n-]n1 ZINC001304101384 1047587190 /nfs/dbraw/zinc/58/71/90/1047587190.db2.gz OGJMSNQYVLCPSV-UHFFFAOYSA-N -1 3 384.461 3.568 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c3c(sc2-n2cccc2)CCC3)n[n-]1 ZINC001304101384 1047587194 /nfs/dbraw/zinc/58/71/94/1047587194.db2.gz OGJMSNQYVLCPSV-UHFFFAOYSA-N -1 3 384.461 3.568 20 0 GHADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304130673 1047595404 /nfs/dbraw/zinc/59/54/04/1047595404.db2.gz BPFJPACXFSOYBS-SECBINFHSA-N -1 3 394.353 3.501 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001304179664 1047607370 /nfs/dbraw/zinc/60/73/70/1047607370.db2.gz QFVYULZNYSINKO-ZHRRBRCNSA-N -1 3 388.508 3.864 20 0 GHADHM O=C([N-][C@H]1C[C@]1(F)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001299747541 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GHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CN1Cc1ccccc1 ZINC001463312117 1070980397 /nfs/dbraw/zinc/98/03/97/1070980397.db2.gz ZIGMDWJSLQSMFM-KBXCAEBGSA-N -1 3 388.464 3.513 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCCOCc3ccccc3)nc21 ZINC001463312760 1070981057 /nfs/dbraw/zinc/98/10/57/1070981057.db2.gz ADMWENXWJYUEBY-UHFFFAOYSA-N -1 3 381.432 3.675 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)c[n-]c12 ZINC001306438962 1048666221 /nfs/dbraw/zinc/66/62/21/1048666221.db2.gz LFDXJVIYZLBZBG-HOTGVXAUSA-N -1 3 391.471 3.702 20 0 GHADHM Brc1ccc(C2(CN=c3ncnc4[nH][n-]cc3-4)CCCCC2)cc1 ZINC001306980366 1048990826 /nfs/dbraw/zinc/99/08/26/1048990826.db2.gz XJQKOYWOPVEZJS-UHFFFAOYSA-N -1 3 386.297 3.803 20 0 GHADHM C[C@@H]1[C@H](C)N(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCN1C(=O)OC(C)(C)C ZINC001307621231 1049456435 /nfs/dbraw/zinc/45/64/35/1049456435.db2.gz HUYCHSLVPWBLHJ-JKSUJKDBSA-N -1 3 398.507 3.679 20 0 GHADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)N[C@@H](C)c1nc(C)cc(=O)[n-]1 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Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc(OCc2ccc(F)cc2)cc1 ZINC001317983662 1054338593 /nfs/dbraw/zinc/33/85/93/1054338593.db2.gz NAJQKHLBNFCCJW-UHFFFAOYSA-N -1 3 396.418 3.885 20 0 GHADHM O=C([N-]Cc1nc(Cc2ccccc2)no1)C(F)(F)c1ccc(Cl)cc1 ZINC001318040131 1054364901 /nfs/dbraw/zinc/36/49/01/1054364901.db2.gz TVXQERZEIIWYJD-UHFFFAOYSA-N -1 3 377.778 3.722 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001318379438 1054599290 /nfs/dbraw/zinc/59/92/90/1054599290.db2.gz AMGDFXDKUPHTMW-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001345201056 1054938200 /nfs/dbraw/zinc/93/82/00/1054938200.db2.gz HBQJLFSFXKFNDY-GOSISDBHSA-N -1 3 376.464 3.501 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001319888302 1055524223 /nfs/dbraw/zinc/52/42/23/1055524223.db2.gz LEVBNCSRQMSJSO-MRXNPFEDSA-N -1 3 381.806 3.722 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001320583141 1055892602 /nfs/dbraw/zinc/89/26/02/1055892602.db2.gz DQDHCHOHQCKBCA-CABCVRRESA-N -1 3 399.532 3.601 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccccc2CN2CCCCC2)ccc1F ZINC001200492256 1056113977 /nfs/dbraw/zinc/11/39/77/1056113977.db2.gz YFNCUABKJAYZBF-UHFFFAOYSA-N -1 3 378.469 3.621 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)[n-]n1 ZINC001472090731 1056139157 /nfs/dbraw/zinc/13/91/57/1056139157.db2.gz ONOIBXWWDQBKCD-UHFFFAOYSA-N -1 3 383.429 3.848 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n[n-]1 ZINC001472090731 1056139166 /nfs/dbraw/zinc/13/91/66/1056139166.db2.gz ONOIBXWWDQBKCD-UHFFFAOYSA-N -1 3 383.429 3.848 20 0 GHADHM CCOc1ccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC001321711575 1056370767 /nfs/dbraw/zinc/37/07/67/1056370767.db2.gz DLDFISBRXAICLT-UHFFFAOYSA-N -1 3 375.440 3.920 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001321764814 1056387852 /nfs/dbraw/zinc/38/78/52/1056387852.db2.gz XQTKCCKWHJXYFM-LLVKDONJSA-N -1 3 398.290 3.656 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000848072871 1056548722 /nfs/dbraw/zinc/54/87/22/1056548722.db2.gz SEXOXOATGCMTBY-BTYIYWSLSA-N -1 3 388.464 3.571 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001322292485 1056612731 /nfs/dbraw/zinc/61/27/31/1056612731.db2.gz UXGZHCWNSOKKND-UHFFFAOYSA-N -1 3 380.473 3.749 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1nn(-c2ccccc2F)cc1Br ZINC001322318918 1056626225 /nfs/dbraw/zinc/62/62/25/1056626225.db2.gz GLGJZVOKZAGWMR-UHFFFAOYSA-N -1 3 394.175 3.871 20 0 GHADHM CC(C)c1ccc(CCC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001322462669 1056716270 /nfs/dbraw/zinc/71/62/70/1056716270.db2.gz GWGZWCVJMCUPPX-UHFFFAOYSA-N -1 3 392.496 3.570 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC001322654615 1056785885 /nfs/dbraw/zinc/78/58/85/1056785885.db2.gz CZHGNOFCQBHUEW-UHFFFAOYSA-N -1 3 399.439 3.562 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC001322738158 1056828276 /nfs/dbraw/zinc/82/82/76/1056828276.db2.gz JBQJEEHRTJVFJV-LLVKDONJSA-N -1 3 380.275 3.876 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001323482149 1056975925 /nfs/dbraw/zinc/97/59/25/1056975925.db2.gz JREDGLJKUWWETE-NSHDSACASA-N -1 3 381.885 3.543 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1Br ZINC001323990795 1057050822 /nfs/dbraw/zinc/05/08/22/1057050822.db2.gz JIFZJLXJDLCPTK-UHFFFAOYSA-N -1 3 399.188 3.605 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC001324501828 1057150152 /nfs/dbraw/zinc/15/01/52/1057150152.db2.gz CVZTYLUWMHZORL-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@H](c3ccc(F)cc3)C(F)(F)F)cc2o1 ZINC001324512863 1057152108 /nfs/dbraw/zinc/15/21/08/1057152108.db2.gz LNEHZVZHIMVPPO-OAHLLOKOSA-N -1 3 388.342 3.857 20 0 GHADHM CCCN(Cc1ccc(-n2cccn2)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC001324724473 1057212315 /nfs/dbraw/zinc/21/23/15/1057212315.db2.gz FMYQPTJREWCRQB-UHFFFAOYSA-N -1 3 379.489 3.995 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC001475155819 1057242919 /nfs/dbraw/zinc/24/29/19/1057242919.db2.gz ONOUZEMFBRNJNE-UHFFFAOYSA-N -1 3 379.503 3.547 20 0 GHADHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1occc1CSc1ccccc1 ZINC001324898844 1057243277 /nfs/dbraw/zinc/24/32/77/1057243277.db2.gz UJXYUHRLEOBRKH-UHFFFAOYSA-N -1 3 391.456 3.859 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccccc2OC1)c1cc(C(F)(F)F)ccc1F ZINC001475235632 1057397517 /nfs/dbraw/zinc/39/75/17/1057397517.db2.gz LLQNCDZIQPQSCA-CYBMUJFWSA-N -1 3 389.370 3.517 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccccc2OC1)c1cc(C(F)(F)F)ccc1F ZINC001475235633 1057398296 /nfs/dbraw/zinc/39/82/96/1057398296.db2.gz LLQNCDZIQPQSCA-ZDUSSCGKSA-N -1 3 389.370 3.517 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001356271423 1057455607 /nfs/dbraw/zinc/45/56/07/1057455607.db2.gz YGXYYTHWGXJUSS-SFHVURJKSA-N -1 3 392.507 3.537 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1C ZINC001326395025 1057474824 /nfs/dbraw/zinc/47/48/24/1057474824.db2.gz WPBFVXCQDOQRQL-UHFFFAOYSA-N -1 3 399.875 3.789 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC001440967052 1058666199 /nfs/dbraw/zinc/66/61/99/1058666199.db2.gz KQMAUQWILQGBPW-UHFFFAOYSA-N -1 3 390.408 3.922 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ncccc2C)s1 ZINC001475781398 1058778991 /nfs/dbraw/zinc/77/89/91/1058778991.db2.gz SZDDMXLINIMSMS-SNVBAGLBSA-N -1 3 375.313 3.562 20 0 GHADHM Cc1ccccc1Nc1scnc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001442662081 1058990694 /nfs/dbraw/zinc/99/06/94/1058990694.db2.gz XLRMWYZTFLHNKM-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM Cc1ccccc1Nc1scnc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001442662081 1058990696 /nfs/dbraw/zinc/99/06/96/1058990696.db2.gz XLRMWYZTFLHNKM-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1N1CCCCC1 ZINC001443968265 1059242148 /nfs/dbraw/zinc/24/21/48/1059242148.db2.gz PNJYNJFWNCVHTR-UHFFFAOYSA-N -1 3 393.487 3.613 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(NCCOC2CCSCC2)cc1 ZINC001339843779 1059515000 /nfs/dbraw/zinc/51/50/00/1059515000.db2.gz VGDUFCIZSXHLPP-UHFFFAOYSA-N -1 3 392.546 3.812 20 0 GHADHM COC(=O)Cc1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC001445527783 1059554549 /nfs/dbraw/zinc/55/45/49/1059554549.db2.gz KXEQCFRXEBQUHB-UHFFFAOYSA-N -1 3 375.424 3.951 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](c2ccccc2)CC1 ZINC001340018310 1059623484 /nfs/dbraw/zinc/62/34/84/1059623484.db2.gz GKEWMLDNQHNZAT-QGZVFWFLSA-N -1 3 378.480 3.543 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(OC(F)F)c(Br)c1 ZINC001445887959 1059647713 /nfs/dbraw/zinc/64/77/13/1059647713.db2.gz ZHNKENOGUPTKKS-UHFFFAOYSA-N -1 3 390.155 3.825 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001447624748 1059989829 /nfs/dbraw/zinc/98/98/29/1059989829.db2.gz OROOOVKPBSVABR-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM Cc1cc(Cl)nc(C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001447633226 1059992569 /nfs/dbraw/zinc/99/25/69/1059992569.db2.gz XZORMNGOPLTVDO-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001448404428 1060179142 /nfs/dbraw/zinc/17/91/42/1060179142.db2.gz ORIZASDYNOZHFU-OAHLLOKOSA-N -1 3 397.700 3.841 20 0 GHADHM CCCc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ccc1Cl ZINC001449198860 1060350433 /nfs/dbraw/zinc/35/04/33/1060350433.db2.gz UWZPPPWAXJDUNX-QWHCGFSZSA-N -1 3 389.883 3.786 20 0 GHADHM O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc2ccccc2cc1[O-] ZINC001449251742 1060364463 /nfs/dbraw/zinc/36/44/63/1060364463.db2.gz URPPKQVZRRXWQC-UHFFFAOYSA-N -1 3 392.846 3.956 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001450016489 1060503058 /nfs/dbraw/zinc/50/30/58/1060503058.db2.gz XQKDLIPVKQDCAS-OAHLLOKOSA-N -1 3 392.908 3.731 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc3oc(=S)[n-]c3c2)N(C)C)cc1 ZINC001450537013 1060612565 /nfs/dbraw/zinc/61/25/65/1060612565.db2.gz BPFZMYHGDBWGIY-GOSISDBHSA-N -1 3 399.516 3.936 20 0 GHADHM CSc1cccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1C ZINC001341741762 1060852651 /nfs/dbraw/zinc/85/26/51/1060852651.db2.gz HWEXICKZRQAMPB-UHFFFAOYSA-N -1 3 397.497 3.549 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccc(Br)cc2)c1 ZINC001453925897 1061229659 /nfs/dbraw/zinc/22/96/59/1061229659.db2.gz FSHIPMOJHHENPF-INIZCTEOSA-N -1 3 389.249 3.700 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1 ZINC001346115567 1061375324 /nfs/dbraw/zinc/37/53/24/1061375324.db2.gz JQCNQDKOXAFKLA-SFHVURJKSA-N -1 3 396.443 3.511 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(-c3csc(C)n3)c2)c1 ZINC001454234878 1061661888 /nfs/dbraw/zinc/66/18/88/1061661888.db2.gz VVFZFLGNQBQLGY-UHFFFAOYSA-N -1 3 381.457 3.713 20 0 GHADHM CCc1cccc(C(=O)N2C[C@]3(C)CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c1[O-] ZINC001454343273 1061731762 /nfs/dbraw/zinc/73/17/62/1061731762.db2.gz DCJSAPASUTXOEP-SZPZYZBQSA-N -1 3 388.508 3.674 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001454411596 1061772435 /nfs/dbraw/zinc/77/24/35/1061772435.db2.gz WYCSANKWGHQZDU-FZKQIMNGSA-N -1 3 376.859 3.825 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C(C)=O)c([O-])c3)n2)cc1 ZINC001545729399 1061973679 /nfs/dbraw/zinc/97/36/79/1061973679.db2.gz CFXGZJJJSIUMOQ-LBPRGKRZSA-N -1 3 379.416 3.698 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC001455018412 1061979508 /nfs/dbraw/zinc/97/95/08/1061979508.db2.gz CQEXXMVBCHSKOI-CXAGYDPISA-N -1 3 394.899 3.907 20 0 GHADHM CN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1c1ccc(F)cc1 ZINC001545813679 1062017019 /nfs/dbraw/zinc/01/70/19/1062017019.db2.gz MBQYZGANKQLUPF-DOTOQJQBSA-N -1 3 382.357 3.725 20 0 GHADHM C[C@H](CO[N-]C(=O)CCc1ccc(F)c2c1CCCC2)NC(=O)OC(C)(C)C ZINC001545858458 1062044925 /nfs/dbraw/zinc/04/49/25/1062044925.db2.gz QLNIWGIBRIPGEW-CQSZACIVSA-N -1 3 394.487 3.598 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ncoc1CCC(F)(F)F ZINC001434868710 1062063523 /nfs/dbraw/zinc/06/35/23/1062063523.db2.gz ONQWAEIFMNTAMV-UHFFFAOYSA-N -1 3 385.733 3.860 20 0 GHADHM O=C(c1cc(-c2ccccc2)ccc1Cl)N1CCC(Cc2nnn[n-]2)CC1 ZINC001455353679 1062112858 /nfs/dbraw/zinc/11/28/58/1062112858.db2.gz HECQLTAVLMBSFP-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM O=C(c1cc(-c2ccccc2)ccc1Cl)N1CCC(Cc2nn[n-]n2)CC1 ZINC001455353679 1062112885 /nfs/dbraw/zinc/11/28/85/1062112885.db2.gz HECQLTAVLMBSFP-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N(CC(F)F)C1CCC1 ZINC001455864264 1062332217 /nfs/dbraw/zinc/33/22/17/1062332217.db2.gz RRBIUARUXPUZNZ-UHFFFAOYSA-N -1 3 390.308 3.687 20 0 GHADHM CN(C(=O)C1CC1)c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001455997200 1062392925 /nfs/dbraw/zinc/39/29/25/1062392925.db2.gz JTNWWJQOLXXCJO-UHFFFAOYSA-N -1 3 389.249 3.780 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H](CC(F)(F)F)C3)n2CC(C)C)cc(=O)[n-]1 ZINC001347655814 1062554297 /nfs/dbraw/zinc/55/42/97/1062554297.db2.gz HOAFOQQIPNMWOJ-CYBMUJFWSA-N -1 3 398.433 3.574 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC2CCCCC2)ccc1F ZINC001456342081 1062626422 /nfs/dbraw/zinc/62/64/22/1062626422.db2.gz VRHOQDXOOOLITH-HNNXBMFYSA-N -1 3 398.544 3.991 20 0 GHADHM CSc1ccc(Br)cc1CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC001456514653 1062727814 /nfs/dbraw/zinc/72/78/14/1062727814.db2.gz YZJQSWJTFAZDBB-UHFFFAOYSA-N -1 3 398.297 3.917 20 0 GHADHM COc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1C1CC1 ZINC001456801126 1062864854 /nfs/dbraw/zinc/86/48/54/1062864854.db2.gz PIOLVHDJMASCMR-UHFFFAOYSA-N -1 3 391.427 3.905 20 0 GHADHM COc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1C1CC1 ZINC001456801126 1062864883 /nfs/dbraw/zinc/86/48/83/1062864883.db2.gz PIOLVHDJMASCMR-UHFFFAOYSA-N -1 3 391.427 3.905 20 0 GHADHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc(C(F)F)ncn1 ZINC001348036765 1062871863 /nfs/dbraw/zinc/87/18/63/1062871863.db2.gz QHFRWBWTCDLLEX-UHFFFAOYSA-N -1 3 397.407 3.949 20 0 GHADHM CC(C)(C)OC(=O)N=c1[nH]c(CNC(=O)c2cc([O-])ccc2Cl)cs1 ZINC001456906687 1062914196 /nfs/dbraw/zinc/91/41/96/1062914196.db2.gz NNKRTVZPPVQCFS-UHFFFAOYSA-N -1 3 383.857 3.779 20 0 GHADHM O=C(Nc1ccnc(-n2cccn2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001457139400 1062986386 /nfs/dbraw/zinc/98/63/86/1062986386.db2.gz KSLXYIOYKSTRBI-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3cccc4c3O[C@H](C)C4)n[n-]2)cc1 ZINC001457170359 1062996689 /nfs/dbraw/zinc/99/66/89/1062996689.db2.gz VAHDKZLYGAVTSD-CYBMUJFWSA-N -1 3 380.473 3.981 20 0 GHADHM O=C([N-]Cc1ccc(Cl)cc1F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001435982955 1063059707 /nfs/dbraw/zinc/05/97/07/1063059707.db2.gz AUNKIANSRSRFFD-UHFFFAOYSA-N -1 3 380.757 3.603 20 0 GHADHM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001457360630 1063108718 /nfs/dbraw/zinc/10/87/18/1063108718.db2.gz CRCYHKURZVNJLI-SNVBAGLBSA-N -1 3 399.299 3.956 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2c(Cl)ccnc2Br)s1 ZINC001348558792 1063213841 /nfs/dbraw/zinc/21/38/41/1063213841.db2.gz KCGUXHFUVBFLGJ-UHFFFAOYSA-N -1 3 375.679 3.899 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cnn(-c4ccccc4Cl)c3)c(=O)c2c1 ZINC001457634747 1063291145 /nfs/dbraw/zinc/29/11/45/1063291145.db2.gz XXAKZAAPMQAAQC-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM CCOCCOCc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1C ZINC001457669240 1063303914 /nfs/dbraw/zinc/30/39/14/1063303914.db2.gz CUAMXVGRYRWSLB-UHFFFAOYSA-N -1 3 394.471 3.950 20 0 GHADHM O=C(NCC[C@H](NC1CC1)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001458042126 1063523174 /nfs/dbraw/zinc/52/31/74/1063523174.db2.gz UKBGNPISLRRWRS-IBGZPJMESA-N -1 3 392.421 3.786 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(C(=O)[N-]c3c(F)ccnc3F)s2)cc1 ZINC001436553801 1063525453 /nfs/dbraw/zinc/52/54/53/1063525453.db2.gz LTUXFCHUJVCTHG-UHFFFAOYSA-N -1 3 389.383 3.935 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)ccc1F ZINC001436561890 1063531623 /nfs/dbraw/zinc/53/16/23/1063531623.db2.gz ABOAGEQUUKHWTC-GDBMZVCRSA-N -1 3 398.544 3.799 20 0 GHADHM Cc1c(Cl)c(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)nn1C ZINC001436773282 1063644196 /nfs/dbraw/zinc/64/41/96/1063644196.db2.gz SLDJMRUINLVULS-UHFFFAOYSA-N -1 3 398.275 3.718 20 0 GHADHM CC[C@@H](C)C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC ZINC001437095114 1063760775 /nfs/dbraw/zinc/76/07/75/1063760775.db2.gz KNABVTRDNDAOKQ-MFKMUULPSA-N -1 3 377.815 3.534 20 0 GHADHM Cc1nc2cc(Br)cc(NC(=O)c3c[n-]c4ccccc4c3=O)c2o1 ZINC001459263763 1064040583 /nfs/dbraw/zinc/04/05/83/1064040583.db2.gz MBCCGEZWJGPFCF-UHFFFAOYSA-N -1 3 398.216 3.993 20 0 GHADHM COc1ccccc1OCCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001459329502 1064065428 /nfs/dbraw/zinc/06/54/28/1064065428.db2.gz ZRWWFZGHSUKMSS-UHFFFAOYSA-N -1 3 389.835 3.671 20 0 GHADHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001463408144 1064322068 /nfs/dbraw/zinc/32/20/68/1064322068.db2.gz BAMUMXZIRVPBIO-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)c2nonc21 ZINC001463586891 1064482997 /nfs/dbraw/zinc/48/29/97/1064482997.db2.gz FOSHKXILRYJMBN-UMSPYCQHSA-N -1 3 398.271 3.754 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2cc(C(=O)OC)co2)sc2c1CC[C@H](C)C2 ZINC001351536824 1064505780 /nfs/dbraw/zinc/50/57/80/1064505780.db2.gz JSUKZDMDMOWSPO-JTQLQIEISA-N -1 3 391.445 3.682 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001463626057 1064508966 /nfs/dbraw/zinc/50/89/66/1064508966.db2.gz LQEIHCYOGRMPDQ-UHFFFAOYSA-N -1 3 396.315 3.798 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001463654452 1064529470 /nfs/dbraw/zinc/52/94/70/1064529470.db2.gz BTLHETZDLJIKRB-UONOGXRCSA-N -1 3 391.880 3.881 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCCc2cccc(C)n2)c(-c2ccccc2)s1 ZINC001463679735 1064546707 /nfs/dbraw/zinc/54/67/07/1064546707.db2.gz NTUGYDPCLAJRDV-UHFFFAOYSA-N -1 3 387.530 3.733 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H]1C1CC1)c1cnc(Cl)c(Br)c1 ZINC001463875607 1064687760 /nfs/dbraw/zinc/68/77/60/1064687760.db2.gz HSWRJPOTFUTBGG-PWSUYJOCSA-N -1 3 393.734 3.602 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cccc(Cl)c1[O-])c1cccc(OC)c1 ZINC001463917405 1064716938 /nfs/dbraw/zinc/71/69/38/1064716938.db2.gz PHSPRAWVYLVQHG-GOSISDBHSA-N -1 3 376.884 3.867 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCN(c2ccccc2Cl)CC1 ZINC001463950298 1064735034 /nfs/dbraw/zinc/73/50/34/1064735034.db2.gz KJOWCKILRKLQHT-UHFFFAOYSA-N -1 3 395.684 3.771 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C1CCCCCC1 ZINC001463975081 1064747849 /nfs/dbraw/zinc/74/78/49/1064747849.db2.gz LVBXOGFEVDIESM-IPMKNSEASA-N -1 3 397.512 3.503 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](Sc2ccccc2)C1)c1cccnc1C(F)(F)F ZINC001464172362 1064885034 /nfs/dbraw/zinc/88/50/34/1064885034.db2.gz FHLVXDSASRSNBG-AULYBMBSSA-N -1 3 388.436 3.702 20 0 GHADHM CCCC(=O)Nc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001464225579 1064916559 /nfs/dbraw/zinc/91/65/59/1064916559.db2.gz WRAHNOCICKMDCK-UHFFFAOYSA-N -1 3 391.265 3.823 20 0 GHADHM COc1ccc(Oc2cc(CNC(=O)c3ccc(C(C)=O)c([O-])c3)ccn2)cc1 ZINC001464269192 1064934427 /nfs/dbraw/zinc/93/44/27/1064934427.db2.gz IXJIYWKSVMLEKI-UHFFFAOYSA-N -1 3 392.411 3.721 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001464274561 1064937549 /nfs/dbraw/zinc/93/75/49/1064937549.db2.gz QZJCLDMDSRAFGU-RDTXWAMCSA-N -1 3 396.915 3.668 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cn(C)nc1C1CCCC1)C(F)(F)F ZINC001464320769 1064953910 /nfs/dbraw/zinc/95/39/10/1064953910.db2.gz YVBFPRSPZRAKFA-UHFFFAOYSA-N -1 3 381.464 3.725 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCOC1 ZINC001464362550 1064971542 /nfs/dbraw/zinc/97/15/42/1064971542.db2.gz WJCGMDCKHXNECL-JQWIXIFHSA-N -1 3 396.734 3.586 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C(C)(C)O1 ZINC001464628212 1065120607 /nfs/dbraw/zinc/12/06/07/1065120607.db2.gz JQXLUVNDNKLHNH-SNVBAGLBSA-N -1 3 399.406 3.596 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001464663228 1065144490 /nfs/dbraw/zinc/14/44/90/1065144490.db2.gz FEEJXEIMHVVGBE-KCYKTTMJSA-N -1 3 386.583 3.834 20 0 GHADHM CC(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(O)c(C(C)C)c1 ZINC001464879541 1065257399 /nfs/dbraw/zinc/25/73/99/1065257399.db2.gz IARKNLVNDFABCU-UHFFFAOYSA-N -1 3 379.464 3.749 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccncc1)Cc1cccnc1 ZINC001464975695 1065301180 /nfs/dbraw/zinc/30/11/80/1065301180.db2.gz ZDOGPWKFRIQSFT-UHFFFAOYSA-N -1 3 398.260 3.787 20 0 GHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(Br)cc2F)c1 ZINC001353275581 1065827263 /nfs/dbraw/zinc/82/72/63/1065827263.db2.gz DDQFRMVYWMIMAX-UHFFFAOYSA-N -1 3 388.139 3.905 20 0 GHADHM COc1nnc(NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)[n-]1 ZINC001466101014 1065983285 /nfs/dbraw/zinc/98/32/85/1065983285.db2.gz BWQUMMXQCXJAAK-PPHUXIPZSA-N -1 3 381.263 3.957 20 0 GHADHM COc1nc(NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)n[n-]1 ZINC001466101014 1065983289 /nfs/dbraw/zinc/98/32/89/1065983289.db2.gz BWQUMMXQCXJAAK-PPHUXIPZSA-N -1 3 381.263 3.957 20 0 GHADHM COc1n[n-]c(NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)n1 ZINC001466101014 1065983294 /nfs/dbraw/zinc/98/32/94/1065983294.db2.gz BWQUMMXQCXJAAK-PPHUXIPZSA-N -1 3 381.263 3.957 20 0 GHADHM CC[C@H](C)Oc1cc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccn1 ZINC001466404173 1066135310 /nfs/dbraw/zinc/13/53/10/1066135310.db2.gz BYEAYUWDQRUXBH-LBPRGKRZSA-N -1 3 385.851 3.684 20 0 GHADHM CCc1cc(=NC(=O)c2c(C)c(Br)cnc2[O-])c2ccccc2[nH]1 ZINC001466810409 1066329819 /nfs/dbraw/zinc/32/98/19/1066329819.db2.gz ZNOHBFOPOQVHHX-UHFFFAOYSA-N -1 3 386.249 3.643 20 0 GHADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(I)cc1[O-] ZINC001466817650 1066334904 /nfs/dbraw/zinc/33/49/04/1066334904.db2.gz MARVJTWXFSRDCW-UHFFFAOYSA-N -1 3 386.189 3.669 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(CC)ccc1[O-] ZINC001467287024 1067199102 /nfs/dbraw/zinc/19/91/02/1067199102.db2.gz KGUQFKFQKZBCGV-QGZVFWFLSA-N -1 3 375.852 3.512 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)c([O-])c1 ZINC001467340486 1067238091 /nfs/dbraw/zinc/23/80/91/1067238091.db2.gz PASIYTKOBPMVRJ-HXUWFJFHSA-N -1 3 380.488 3.748 20 0 GHADHM Cc1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1C(F)(F)F ZINC001467871235 1067509506 /nfs/dbraw/zinc/50/95/06/1067509506.db2.gz COVFOKQWRVSDMO-NWDGAFQWSA-N -1 3 395.381 3.508 20 0 GHADHM CC(C)[C@H](CO)O[N-]C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001468343807 1067695021 /nfs/dbraw/zinc/69/50/21/1067695021.db2.gz YOMZEVAZPQZGKO-IBGZPJMESA-N -1 3 377.868 3.526 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2c(F)ccc(Br)c2F)c1[O-] ZINC001468600762 1067786497 /nfs/dbraw/zinc/78/64/97/1067786497.db2.gz FSJXDOLSJRHOPR-UHFFFAOYSA-N -1 3 384.176 3.817 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Br)cc1F ZINC001468718772 1067846835 /nfs/dbraw/zinc/84/68/35/1067846835.db2.gz SIQNRMSAXBTVDF-SECBINFHSA-N -1 3 380.204 3.706 20 0 GHADHM Cc1cc(C2(NC(=O)c3cc(=O)[n-]cn3)CCCCC2)ccc1Br ZINC001469059453 1067966912 /nfs/dbraw/zinc/96/69/12/1067966912.db2.gz CHNOQHLBYRSMIP-UHFFFAOYSA-N -1 3 390.281 3.843 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716473 1068333461 /nfs/dbraw/zinc/33/34/61/1068333461.db2.gz VEHFYNNKUDXFKJ-JTQLQIEISA-N -1 3 386.304 3.671 20 0 GHADHM CC[C@@H](C)CCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001469930991 1068477516 /nfs/dbraw/zinc/47/75/16/1068477516.db2.gz LQPQOYDEZSCSQQ-GFCCVEGCSA-N -1 3 375.494 3.504 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1ccc(Br)o1 ZINC001460269581 1068898453 /nfs/dbraw/zinc/89/84/53/1068898453.db2.gz NJYXGBNJNNKXAA-UHFFFAOYSA-N -1 3 395.234 3.999 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc(Cl)cc(Br)c1 ZINC001460817642 1069200080 /nfs/dbraw/zinc/20/00/80/1069200080.db2.gz PJMNZRHPMTZNEK-UHFFFAOYSA-N -1 3 382.645 3.729 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c2ccccc21)C(F)(F)F ZINC001478796829 1078989039 /nfs/dbraw/zinc/98/90/39/1078989039.db2.gz REYMVFDJQKWHLJ-VDERGJSUSA-N -1 3 395.425 3.557 20 0 GHADHM COC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)c([O-])c(OC)c1 ZINC001472228293 1073376381 /nfs/dbraw/zinc/37/63/81/1073376381.db2.gz MLJHRUKAJUTVGQ-UHFFFAOYSA-N -1 3 391.423 3.958 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001472307638 1073413981 /nfs/dbraw/zinc/41/39/81/1073413981.db2.gz PTZXGFJSCNSQMU-FYZZASKESA-N -1 3 378.472 3.558 20 0 GHADHM O=C(CCc1nnc(-c2cc3ccccc3o2)o1)[N-]OCCOc1ccccc1 ZINC001472340643 1073434043 /nfs/dbraw/zinc/43/40/43/1073434043.db2.gz CDGHVSVXXDZBAK-UHFFFAOYSA-N -1 3 393.399 3.542 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ncc(-c3cccc(F)c3)s2)c([O-])c1 ZINC001472342568 1073435307 /nfs/dbraw/zinc/43/53/07/1073435307.db2.gz OMBSJAFUYJUIEL-UHFFFAOYSA-N -1 3 399.447 3.722 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001472486311 1073506511 /nfs/dbraw/zinc/50/65/11/1073506511.db2.gz LZTGSLRRWKOHKD-UHFFFAOYSA-N -1 3 385.851 3.995 20 0 GHADHM O=C([N-]C[C@@H](NCc1ccccc1)C(F)(F)F)C(F)(F)c1ccccc1F ZINC001472566341 1073554294 /nfs/dbraw/zinc/55/42/94/1073554294.db2.gz KKFBJDGIICTEDQ-OAHLLOKOSA-N -1 3 390.327 3.754 20 0 GHADHM O=C(NCc1cc(C(F)(F)F)ccc1Br)c1c([O-])cccc1O ZINC001472617171 1073578729 /nfs/dbraw/zinc/57/87/29/1073578729.db2.gz UFZWXPJJDNJQTE-UHFFFAOYSA-N -1 3 390.155 3.809 20 0 GHADHM Cc1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)c(C)n1 ZINC001473062481 1073766710 /nfs/dbraw/zinc/76/67/10/1073766710.db2.gz NNHIKOFKZNAECA-UHFFFAOYSA-N -1 3 377.473 3.884 20 0 GHADHM COC(=O)c1oc([C@H](C)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1C ZINC001473728176 1074111891 /nfs/dbraw/zinc/11/18/91/1074111891.db2.gz NWDZFXDOXDTHEZ-AWEZNQCLSA-N -1 3 392.883 3.612 20 0 GHADHM O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC001474326099 1074343858 /nfs/dbraw/zinc/34/38/58/1074343858.db2.gz UPMQYEQIYIUOKR-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM C[C@@H]1CCc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001474842274 1074589111 /nfs/dbraw/zinc/58/91/11/1074589111.db2.gz DOZBMFXQOINYEA-CYBMUJFWSA-N -1 3 382.888 3.599 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c(F)c1F ZINC001474854048 1074594104 /nfs/dbraw/zinc/59/41/04/1074594104.db2.gz OZENZLBEOSEPCY-UHFFFAOYSA-N -1 3 383.460 3.591 20 0 GHADHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC001474886664 1074613185 /nfs/dbraw/zinc/61/31/85/1074613185.db2.gz PGDVUJMUKAYVRG-GFCCVEGCSA-N -1 3 391.386 3.899 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)N(C)C)c(F)c1F ZINC001475040332 1074703832 /nfs/dbraw/zinc/70/38/32/1074703832.db2.gz ISDAJNYBESTAJP-AWEZNQCLSA-N -1 3 388.867 3.508 20 0 GHADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001475092028 1074733598 /nfs/dbraw/zinc/73/35/98/1074733598.db2.gz OLZDCYUETQGRMH-UHFFFAOYSA-N -1 3 383.739 3.992 20 0 GHADHM Cc1cc([C@@H]([N-]S(=O)(=O)c2occc2Br)C2CC2)ccc1F ZINC001475114809 1074742882 /nfs/dbraw/zinc/74/28/82/1074742882.db2.gz KNDYVWSLDDMLFH-AWEZNQCLSA-N -1 3 388.258 3.919 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(C)CCCc3ccccc32)cc1F ZINC001475160818 1074763824 /nfs/dbraw/zinc/76/38/24/1074763824.db2.gz RPMNFPFKMFPASD-LJQANCHMSA-N -1 3 381.444 3.546 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c(F)cc1Br ZINC001475199188 1074781222 /nfs/dbraw/zinc/78/12/22/1074781222.db2.gz CVGNRWPBQCKOLH-UHFFFAOYSA-N -1 3 397.269 3.856 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCn2ccc3cc(Cl)ccc32)c1 ZINC001475285999 1074822379 /nfs/dbraw/zinc/82/23/79/1074822379.db2.gz VZAFLFGLLUHWRM-UHFFFAOYSA-N -1 3 384.288 3.630 20 0 GHADHM O=S(=O)([N-]CCn1ccc2cc(Cl)ccc21)c1ccc(Cl)s1 ZINC001475284944 1074822665 /nfs/dbraw/zinc/82/26/65/1074822665.db2.gz HPGARYVWOZQMGQ-UHFFFAOYSA-N -1 3 375.302 3.988 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475386623 1074857122 /nfs/dbraw/zinc/85/71/22/1074857122.db2.gz HUWIWPLZDIVGEB-GDBMZVCRSA-N -1 3 392.974 3.708 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)c2ccco2)cc1 ZINC001475398208 1074860983 /nfs/dbraw/zinc/86/09/83/1074860983.db2.gz QFNAWXLWOFRHDM-LJQANCHMSA-N -1 3 393.411 3.775 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC001475432206 1074873436 /nfs/dbraw/zinc/87/34/36/1074873436.db2.gz OBCVLOCJXCXQLI-CHWSQXEVSA-N -1 3 386.336 3.901 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001475504986 1074900067 /nfs/dbraw/zinc/90/00/67/1074900067.db2.gz ANMIHGDLJVGRSG-SJLPKXTDSA-N -1 3 399.434 3.657 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001475506743 1074900395 /nfs/dbraw/zinc/90/03/95/1074900395.db2.gz ZIMICHWUYHROSC-DGYMPUIQSA-N -1 3 397.418 3.820 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1Cl ZINC001475550583 1074911764 /nfs/dbraw/zinc/91/17/64/1074911764.db2.gz KHBNBQIKTUCWAD-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(Cl)c1Cl ZINC001475656583 1074993856 /nfs/dbraw/zinc/99/38/56/1074993856.db2.gz RBSYUJIRSCFOMQ-LDYMZIIASA-N -1 3 392.226 3.772 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1 ZINC001475742422 1075012680 /nfs/dbraw/zinc/01/26/80/1075012680.db2.gz TYCMZBURILJKEA-IBGZPJMESA-N -1 3 389.517 3.806 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC001475787042 1075022023 /nfs/dbraw/zinc/02/20/23/1075022023.db2.gz LUVFJQNNTVVQBT-QZTJIDSGSA-N -1 3 384.526 3.967 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001546263035 1079545818 /nfs/dbraw/zinc/54/58/18/1079545818.db2.gz DXRKEFDMIVKPAL-ZDUSSCGKSA-N -1 3 377.282 3.941 20 0 GHADHM Cc1cc(C)c(CN[C@@H](Cc2cncs2)C(=O)[O-])c(OCc2ccccc2)n1 ZINC001607619835 1126233978 /nfs/dbraw/zinc/23/39/78/1126233978.db2.gz IXBARBUVGIXVLO-IBGZPJMESA-N -1 3 397.500 3.519 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC(C)CC1 ZINC000015734778 209173639 /nfs/dbraw/zinc/17/36/39/209173639.db2.gz WEBDGCVCCCOFGM-UHFFFAOYSA-N -1 3 390.480 3.807 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736123694 598827098 /nfs/dbraw/zinc/82/70/98/598827098.db2.gz BWCWFADAKYDFCX-LBPRGKRZSA-N -1 3 391.460 3.569 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736123694 598827099 /nfs/dbraw/zinc/82/70/99/598827099.db2.gz BWCWFADAKYDFCX-LBPRGKRZSA-N -1 3 391.460 3.569 20 0 GHADHM CCCCSCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736463510 598830440 /nfs/dbraw/zinc/83/04/40/598830440.db2.gz QIAIIMFTEMCELR-UHFFFAOYSA-N -1 3 398.492 3.916 20 0 GHADHM COc1cccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737122146 598834313 /nfs/dbraw/zinc/83/43/13/598834313.db2.gz RYSIPKQKYJPGFC-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM C[C@@H]1CC(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000736227052 598838206 /nfs/dbraw/zinc/83/82/06/598838206.db2.gz YOGLSNZGNGKKKO-KBPBESRZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000736227052 598838208 /nfs/dbraw/zinc/83/82/08/598838208.db2.gz YOGLSNZGNGKKKO-KBPBESRZSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc(C)ccc2C)c1C ZINC000737321419 598839878 /nfs/dbraw/zinc/83/98/78/598839878.db2.gz FLMWAFYIKBORBK-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737824648 598845569 /nfs/dbraw/zinc/84/55/69/598845569.db2.gz HDHUSGRMPOILOK-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737824648 598845571 /nfs/dbraw/zinc/84/55/71/598845571.db2.gz HDHUSGRMPOILOK-UHFFFAOYSA-N -1 3 384.411 3.558 20 0 GHADHM CC(C)(C)CCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735601786 598848067 /nfs/dbraw/zinc/84/80/67/598848067.db2.gz DFYOFQACQVNJAH-UHFFFAOYSA-N -1 3 383.452 3.595 20 0 GHADHM CC(C)(C)CCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735601786 598848070 /nfs/dbraw/zinc/84/80/70/598848070.db2.gz DFYOFQACQVNJAH-UHFFFAOYSA-N -1 3 383.452 3.595 20 0 GHADHM Cc1cc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3Cl)n2)ccc1F ZINC000737226679 598859628 /nfs/dbraw/zinc/85/96/28/598859628.db2.gz YNIPDFCEPPQIPT-UHFFFAOYSA-N -1 3 386.774 3.597 20 0 GHADHM Cc1cc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3Cl)n2)ccc1F ZINC000737226679 598859630 /nfs/dbraw/zinc/85/96/30/598859630.db2.gz YNIPDFCEPPQIPT-UHFFFAOYSA-N -1 3 386.774 3.597 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000736122681 598865346 /nfs/dbraw/zinc/86/53/46/598865346.db2.gz LWEBTBZMZZJRKQ-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000736122681 598865348 /nfs/dbraw/zinc/86/53/48/598865348.db2.gz LWEBTBZMZZJRKQ-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738163970 598867474 /nfs/dbraw/zinc/86/74/74/598867474.db2.gz SNKPXMKVBLUYHO-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738163970 598867475 /nfs/dbraw/zinc/86/74/75/598867475.db2.gz SNKPXMKVBLUYHO-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895451 598878448 /nfs/dbraw/zinc/87/84/48/598878448.db2.gz JOVCRWKSZUTVCB-VBKZILBWSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895451 598878449 /nfs/dbraw/zinc/87/84/49/598878449.db2.gz JOVCRWKSZUTVCB-VBKZILBWSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1csc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897508 598884350 /nfs/dbraw/zinc/88/43/50/598884350.db2.gz QXQKNOHLUCAGTO-KZULUSFZSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1csc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897508 598884352 /nfs/dbraw/zinc/88/43/52/598884352.db2.gz QXQKNOHLUCAGTO-KZULUSFZSA-N -1 3 393.472 3.646 20 0 GHADHM CC(C)(C)c1csc(C2CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000735652829 598892830 /nfs/dbraw/zinc/89/28/30/598892830.db2.gz SYVRVSXOLBCHMW-UHFFFAOYSA-N -1 3 396.520 3.641 20 0 GHADHM CC(C)(C)c1csc(C2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000735652829 598892832 /nfs/dbraw/zinc/89/28/32/598892832.db2.gz SYVRVSXOLBCHMW-UHFFFAOYSA-N -1 3 396.520 3.641 20 0 GHADHM CCc1nnc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)o1 ZINC000736706450 598902282 /nfs/dbraw/zinc/90/22/82/598902282.db2.gz LSIKJUNWBFPXBR-LLVKDONJSA-N -1 3 379.449 3.727 20 0 GHADHM CCc1nnc([C@@H](C)Sc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)o1 ZINC000736706450 598902284 /nfs/dbraw/zinc/90/22/84/598902284.db2.gz LSIKJUNWBFPXBR-LLVKDONJSA-N -1 3 379.449 3.727 20 0 GHADHM CCCC(C)(C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736414931 598906104 /nfs/dbraw/zinc/90/61/04/598906104.db2.gz AYGXGOYVWFIUNT-UHFFFAOYSA-N -1 3 384.509 3.973 20 0 GHADHM COc1ccc(C2(CNc3ccc(-c4nnn[n-]4)cn3)CCCCC2)cc1OC ZINC000737076667 598914129 /nfs/dbraw/zinc/91/41/29/598914129.db2.gz KQQGDNOOBAENDQ-UHFFFAOYSA-N -1 3 394.479 3.593 20 0 GHADHM COc1ccc(C2(CNc3ccc(-c4nn[n-]n4)cn3)CCCCC2)cc1OC ZINC000737076667 598914130 /nfs/dbraw/zinc/91/41/30/598914130.db2.gz KQQGDNOOBAENDQ-UHFFFAOYSA-N -1 3 394.479 3.593 20 0 GHADHM CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCCCC1 ZINC000736225550 598927763 /nfs/dbraw/zinc/92/77/63/598927763.db2.gz ZIGXUZSBQOSRFC-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCCCC1 ZINC000736225550 598927764 /nfs/dbraw/zinc/92/77/64/598927764.db2.gz ZIGXUZSBQOSRFC-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736322645 598927771 /nfs/dbraw/zinc/92/77/71/598927771.db2.gz MXUCWKHKIBBDPX-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736322645 598927772 /nfs/dbraw/zinc/92/77/72/598927772.db2.gz MXUCWKHKIBBDPX-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc(Cl)c1Cl ZINC000737032769 598938416 /nfs/dbraw/zinc/93/84/16/598938416.db2.gz OFCFNSMXKXTBBK-UHFFFAOYSA-N -1 3 381.219 3.640 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc(Cl)c1Cl ZINC000737032769 598938417 /nfs/dbraw/zinc/93/84/17/598938417.db2.gz OFCFNSMXKXTBBK-UHFFFAOYSA-N -1 3 381.219 3.640 20 0 GHADHM Fc1cccc(Cl)c1C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737661141 598939069 /nfs/dbraw/zinc/93/90/69/598939069.db2.gz NESDKCXLCKOPFP-LLVKDONJSA-N -1 3 393.253 3.919 20 0 GHADHM Fc1cccc(Cl)c1C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737661141 598939070 /nfs/dbraw/zinc/93/90/70/598939070.db2.gz NESDKCXLCKOPFP-LLVKDONJSA-N -1 3 393.253 3.919 20 0 GHADHM CC(C)N(C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000735857219 598940772 /nfs/dbraw/zinc/94/07/72/598940772.db2.gz PCUVYZBINQRSPO-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)N(C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000735857219 598940774 /nfs/dbraw/zinc/94/07/74/598940774.db2.gz PCUVYZBINQRSPO-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(NC1CCCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738024627 598979570 /nfs/dbraw/zinc/97/95/70/598979570.db2.gz KZRRKOVIXNZDKB-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000737225968 598994929 /nfs/dbraw/zinc/99/49/29/598994929.db2.gz MJKMBCAFEBIZRT-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000737225968 598994930 /nfs/dbraw/zinc/99/49/30/598994930.db2.gz MJKMBCAFEBIZRT-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000737293996 598998824 /nfs/dbraw/zinc/99/88/24/598998824.db2.gz JEYAORWRUPZAHZ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000737293996 598998825 /nfs/dbraw/zinc/99/88/25/598998825.db2.gz JEYAORWRUPZAHZ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CC1(CNC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCCC1 ZINC000736217590 599004192 /nfs/dbraw/zinc/00/41/92/599004192.db2.gz YBVFJVPSUOUJTN-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM CC1(CNC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCCC1 ZINC000736217590 599004194 /nfs/dbraw/zinc/00/41/94/599004194.db2.gz YBVFJVPSUOUJTN-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736125159 599007432 /nfs/dbraw/zinc/00/74/32/599007432.db2.gz WNRLFUDVFUALDF-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738152382 599020205 /nfs/dbraw/zinc/02/02/05/599020205.db2.gz ROWICAUMKXFVNH-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2cccc(Cl)c2)CC1 ZINC000738152382 599020206 /nfs/dbraw/zinc/02/02/06/599020206.db2.gz ROWICAUMKXFVNH-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000736228513 599020751 /nfs/dbraw/zinc/02/07/51/599020751.db2.gz OAQRJGNNIQXMRE-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000736228513 599020753 /nfs/dbraw/zinc/02/07/53/599020753.db2.gz OAQRJGNNIQXMRE-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736397442 599022390 /nfs/dbraw/zinc/02/23/90/599022390.db2.gz VBGRSBYMVBMORV-PWSUYJOCSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736397442 599022391 /nfs/dbraw/zinc/02/23/91/599022391.db2.gz VBGRSBYMVBMORV-PWSUYJOCSA-N -1 3 380.399 3.558 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736210860 599027988 /nfs/dbraw/zinc/02/79/88/599027988.db2.gz HIOJFXBLHNOAOO-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736210860 599027989 /nfs/dbraw/zinc/02/79/89/599027989.db2.gz HIOJFXBLHNOAOO-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM COc1ccccc1-c1nc(CNc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000821877556 607257345 /nfs/dbraw/zinc/25/73/45/607257345.db2.gz LTUKOUHWUCUBPQ-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM COc1ccccc1-c1nc(CNc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000821877556 607257346 /nfs/dbraw/zinc/25/73/46/607257346.db2.gz LTUKOUHWUCUBPQ-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM Cc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1OCC1CCOCC1 ZINC000737362125 599049923 /nfs/dbraw/zinc/04/99/23/599049923.db2.gz NSJADJVHYKKHII-UHFFFAOYSA-N -1 3 379.464 3.593 20 0 GHADHM Cc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1OCC1CCOCC1 ZINC000737362125 599049926 /nfs/dbraw/zinc/04/99/26/599049926.db2.gz NSJADJVHYKKHII-UHFFFAOYSA-N -1 3 379.464 3.593 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccccc2C(F)(F)F)n1 ZINC000737635515 599049991 /nfs/dbraw/zinc/04/99/91/599049991.db2.gz IPEVTEMRRREGQB-UHFFFAOYSA-N -1 3 388.275 3.911 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccccc2C(F)(F)F)n1 ZINC000737635515 599049994 /nfs/dbraw/zinc/04/99/94/599049994.db2.gz IPEVTEMRRREGQB-UHFFFAOYSA-N -1 3 388.275 3.911 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000736189145 599062304 /nfs/dbraw/zinc/06/23/04/599062304.db2.gz AVGJZUJRDGAWNA-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000736189145 599062307 /nfs/dbraw/zinc/06/23/07/599062307.db2.gz AVGJZUJRDGAWNA-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000735496695 599062498 /nfs/dbraw/zinc/06/24/98/599062498.db2.gz HMQWAOKMAICLNZ-LLVKDONJSA-N -1 3 387.440 3.517 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000735496695 599062501 /nfs/dbraw/zinc/06/25/01/599062501.db2.gz HMQWAOKMAICLNZ-LLVKDONJSA-N -1 3 387.440 3.517 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737357514 599064060 /nfs/dbraw/zinc/06/40/60/599064060.db2.gz ZNHHEYLMGNXBQY-SNVBAGLBSA-N -1 3 375.404 3.573 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737357514 599064063 /nfs/dbraw/zinc/06/40/63/599064063.db2.gz ZNHHEYLMGNXBQY-SNVBAGLBSA-N -1 3 375.404 3.573 20 0 GHADHM CCN(CC)C(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736524293 599066456 /nfs/dbraw/zinc/06/64/56/599066456.db2.gz UNTOQZWNLRDBEG-QGZVFWFLSA-N -1 3 385.468 3.708 20 0 GHADHM CCN(CC)C(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736524293 599066460 /nfs/dbraw/zinc/06/64/60/599066460.db2.gz UNTOQZWNLRDBEG-QGZVFWFLSA-N -1 3 385.468 3.708 20 0 GHADHM CCc1c(C)sc(NC(=O)c2c(Cl)n(C)nc2C(C)C)c1-c1nnn[n-]1 ZINC000736676346 599072750 /nfs/dbraw/zinc/07/27/50/599072750.db2.gz SHDPHOBEEFBPSS-UHFFFAOYSA-N -1 3 393.904 3.562 20 0 GHADHM CCc1c(C)sc(NC(=O)c2c(Cl)n(C)nc2C(C)C)c1-c1nn[n-]n1 ZINC000736676346 599072755 /nfs/dbraw/zinc/07/27/55/599072755.db2.gz SHDPHOBEEFBPSS-UHFFFAOYSA-N -1 3 393.904 3.562 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2CCCCCCC2)c1C ZINC000737504016 599078612 /nfs/dbraw/zinc/07/86/12/599078612.db2.gz SJAWMCZLRJDLNH-UHFFFAOYSA-N -1 3 393.495 3.968 20 0 GHADHM C[C@H](COCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820287162 599080565 /nfs/dbraw/zinc/08/05/65/599080565.db2.gz JNONMHDUVZNSPL-GFCCVEGCSA-N -1 3 377.370 3.903 20 0 GHADHM C[C@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820287162 599080566 /nfs/dbraw/zinc/08/05/66/599080566.db2.gz JNONMHDUVZNSPL-GFCCVEGCSA-N -1 3 377.370 3.903 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736267618 599082308 /nfs/dbraw/zinc/08/23/08/599082308.db2.gz UHNZRVBPHHSWNK-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736267618 599082310 /nfs/dbraw/zinc/08/23/10/599082310.db2.gz UHNZRVBPHHSWNK-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(-n2ccnc2)c1 ZINC000820452108 599094457 /nfs/dbraw/zinc/09/44/57/599094457.db2.gz ZROVFJKTSYBSRJ-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(-n2ccnc2)c1 ZINC000820452108 599094460 /nfs/dbraw/zinc/09/44/60/599094460.db2.gz ZROVFJKTSYBSRJ-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000822227553 599142184 /nfs/dbraw/zinc/14/21/84/599142184.db2.gz MXANPIVBMIPKSG-GFCCVEGCSA-N -1 3 394.460 3.558 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000822227553 599142187 /nfs/dbraw/zinc/14/21/87/599142187.db2.gz MXANPIVBMIPKSG-GFCCVEGCSA-N -1 3 394.460 3.558 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccc2cc[nH]c21 ZINC000823350196 599142920 /nfs/dbraw/zinc/14/29/20/599142920.db2.gz CZEHREDTEKHRTO-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000822220043 599149411 /nfs/dbraw/zinc/14/94/11/599149411.db2.gz ASKIXQZRIVINFL-UHFFFAOYSA-N -1 3 388.406 3.992 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000822220043 599149412 /nfs/dbraw/zinc/14/94/12/599149412.db2.gz ASKIXQZRIVINFL-UHFFFAOYSA-N -1 3 388.406 3.992 20 0 GHADHM O=C(CCC1CCOCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822950012 599152078 /nfs/dbraw/zinc/15/20/78/599152078.db2.gz BULBSLDCKRMIBG-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM O=C(CCC1CCOCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822950012 599152079 /nfs/dbraw/zinc/15/20/79/599152079.db2.gz BULBSLDCKRMIBG-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000737559918 599158671 /nfs/dbraw/zinc/15/86/71/599158671.db2.gz DGGXRSBVDNHSCG-ZJUUUORDSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000737559918 599158672 /nfs/dbraw/zinc/15/86/72/599158672.db2.gz DGGXRSBVDNHSCG-ZJUUUORDSA-N -1 3 375.404 3.565 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736192930 599173159 /nfs/dbraw/zinc/17/31/59/599173159.db2.gz NTSYPKJHYBSCMU-AWEZNQCLSA-N -1 3 399.495 3.924 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736192930 599173164 /nfs/dbraw/zinc/17/31/64/599173164.db2.gz NTSYPKJHYBSCMU-AWEZNQCLSA-N -1 3 399.495 3.924 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000823233332 599177402 /nfs/dbraw/zinc/17/74/02/599177402.db2.gz GHGXVRNOSYXTKZ-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000823233332 599177405 /nfs/dbraw/zinc/17/74/05/599177405.db2.gz GHGXVRNOSYXTKZ-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737023798 599179845 /nfs/dbraw/zinc/17/98/45/599179845.db2.gz DSGMGJJQWAXCSR-VIFPVBQESA-N -1 3 393.230 3.891 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737023798 599179847 /nfs/dbraw/zinc/17/98/47/599179847.db2.gz DSGMGJJQWAXCSR-VIFPVBQESA-N -1 3 393.230 3.891 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735680837 599182145 /nfs/dbraw/zinc/18/21/45/599182145.db2.gz ZROSWGMJEWUJLP-OAHLLOKOSA-N -1 3 377.448 3.703 20 0 GHADHM CC(C)=CCOc1cccc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735680837 599182147 /nfs/dbraw/zinc/18/21/47/599182147.db2.gz ZROSWGMJEWUJLP-OAHLLOKOSA-N -1 3 377.448 3.703 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000737329674 599189372 /nfs/dbraw/zinc/18/93/72/599189372.db2.gz HNKKOBOWVBRBSY-MRXNPFEDSA-N -1 3 396.451 3.924 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000737329674 599189375 /nfs/dbraw/zinc/18/93/75/599189375.db2.gz HNKKOBOWVBRBSY-MRXNPFEDSA-N -1 3 396.451 3.924 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823350198 599189388 /nfs/dbraw/zinc/18/93/88/599189388.db2.gz DAIKVBCHWDSFMY-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823350198 599189391 /nfs/dbraw/zinc/18/93/91/599189391.db2.gz DAIKVBCHWDSFMY-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1ccc2[nH]c(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc2c1C ZINC000737372261 599200930 /nfs/dbraw/zinc/20/09/30/599200930.db2.gz CGMODFMWOHSYFF-UHFFFAOYSA-N -1 3 386.459 3.770 20 0 GHADHM Cc1ccc2[nH]c(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cc2c1C ZINC000737372261 599200932 /nfs/dbraw/zinc/20/09/32/599200932.db2.gz CGMODFMWOHSYFF-UHFFFAOYSA-N -1 3 386.459 3.770 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820951298 599202126 /nfs/dbraw/zinc/20/21/26/599202126.db2.gz XWBMSEWBWVPXPZ-NRFANRHFSA-N -1 3 392.463 3.706 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820951298 599202128 /nfs/dbraw/zinc/20/21/28/599202128.db2.gz XWBMSEWBWVPXPZ-NRFANRHFSA-N -1 3 392.463 3.706 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820020288 599210818 /nfs/dbraw/zinc/21/08/18/599210818.db2.gz DDIVXEJHKCZQDK-KTZABMDBSA-N -1 3 393.466 3.745 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820020288 599210820 /nfs/dbraw/zinc/21/08/20/599210820.db2.gz DDIVXEJHKCZQDK-KTZABMDBSA-N -1 3 393.466 3.745 20 0 GHADHM Cc1ncccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822471802 599219256 /nfs/dbraw/zinc/21/92/56/599219256.db2.gz KBOUSFIUSRBJFN-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ncccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822471802 599219259 /nfs/dbraw/zinc/21/92/59/599219259.db2.gz KBOUSFIUSRBJFN-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(N2CC[C@@H](S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000822241556 599224268 /nfs/dbraw/zinc/22/42/68/599224268.db2.gz ZRDIQCOOBKRSKP-KBXCAEBGSA-N -1 3 379.489 3.775 20 0 GHADHM Cc1ccc(N2CC[C@@H](S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000822241556 599224272 /nfs/dbraw/zinc/22/42/72/599224272.db2.gz ZRDIQCOOBKRSKP-KBXCAEBGSA-N -1 3 379.489 3.775 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3sccc3-c3nn[n-]n3)cc2)cc1 ZINC000737058354 599229278 /nfs/dbraw/zinc/22/92/78/599229278.db2.gz WDUMCGAOPXAVOP-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM CCC(CC)(CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820887862 599227899 /nfs/dbraw/zinc/22/78/99/599227899.db2.gz VFTBCDCIDNNPIA-UHFFFAOYSA-N -1 3 380.521 3.911 20 0 GHADHM CCC(CC)(CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820887862 599227901 /nfs/dbraw/zinc/22/79/01/599227901.db2.gz VFTBCDCIDNNPIA-UHFFFAOYSA-N -1 3 380.521 3.911 20 0 GHADHM CCCCc1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821077381 599228417 /nfs/dbraw/zinc/22/84/17/599228417.db2.gz CWHVOLDCRCTGNM-UHFFFAOYSA-N -1 3 384.484 3.835 20 0 GHADHM CCCCc1ccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821077381 599228420 /nfs/dbraw/zinc/22/84/20/599228420.db2.gz CWHVOLDCRCTGNM-UHFFFAOYSA-N -1 3 384.484 3.835 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)cc2)cc1 ZINC000737058354 599229274 /nfs/dbraw/zinc/22/92/74/599229274.db2.gz WDUMCGAOPXAVOP-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1OC1CCCC1 ZINC000821702940 607267455 /nfs/dbraw/zinc/26/74/55/607267455.db2.gz IETBOMWKGOEXKQ-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1OC1CCCC1 ZINC000821702940 607267456 /nfs/dbraw/zinc/26/74/56/607267456.db2.gz IETBOMWKGOEXKQ-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821825154 599239627 /nfs/dbraw/zinc/23/96/27/599239627.db2.gz SVZPZJPNRGOXKX-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(Cl)c(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821825154 599239632 /nfs/dbraw/zinc/23/96/32/599239632.db2.gz SVZPZJPNRGOXKX-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737853183 599244756 /nfs/dbraw/zinc/24/47/56/599244756.db2.gz PYRXRQCWKFRJSM-UHFFFAOYSA-N -1 3 381.867 3.515 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737853183 599244759 /nfs/dbraw/zinc/24/47/59/599244759.db2.gz PYRXRQCWKFRJSM-UHFFFAOYSA-N -1 3 381.867 3.515 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000735906682 599248134 /nfs/dbraw/zinc/24/81/34/599248134.db2.gz TWGHUQPRFASVIH-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000735906682 599248135 /nfs/dbraw/zinc/24/81/35/599248135.db2.gz TWGHUQPRFASVIH-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000821504179 607281749 /nfs/dbraw/zinc/28/17/49/607281749.db2.gz CTNBHWVEQRKJLV-GFCCVEGCSA-N -1 3 385.497 3.727 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000821504179 607281750 /nfs/dbraw/zinc/28/17/50/607281750.db2.gz CTNBHWVEQRKJLV-GFCCVEGCSA-N -1 3 385.497 3.727 20 0 GHADHM Cc1c(NC(=O)N2CCC(OCC3CCCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084238 607282185 /nfs/dbraw/zinc/28/21/85/607282185.db2.gz HNZQVAFAUPKQIU-UHFFFAOYSA-N -1 3 398.511 3.768 20 0 GHADHM Cc1c(NC(=O)N2CCC(OCC3CCCCC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084238 607282186 /nfs/dbraw/zinc/28/21/86/607282186.db2.gz HNZQVAFAUPKQIU-UHFFFAOYSA-N -1 3 398.511 3.768 20 0 GHADHM Cc1c(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822089499 607290007 /nfs/dbraw/zinc/29/00/07/607290007.db2.gz CXRJWEOWTHBBMA-NHYWBVRUSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822089499 607290008 /nfs/dbraw/zinc/29/00/08/607290008.db2.gz CXRJWEOWTHBBMA-NHYWBVRUSA-N -1 3 386.818 3.645 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351622 599259264 /nfs/dbraw/zinc/25/92/64/599259264.db2.gz QISZHNIMMIUAPV-AUUYWEPGSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351622 599259266 /nfs/dbraw/zinc/25/92/66/599259266.db2.gz QISZHNIMMIUAPV-AUUYWEPGSA-N -1 3 396.470 3.633 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822240057 607298264 /nfs/dbraw/zinc/29/82/64/607298264.db2.gz QGQZDMPDPUYBCE-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822240057 607298265 /nfs/dbraw/zinc/29/82/65/607298265.db2.gz QGQZDMPDPUYBCE-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM CC(C)COc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000820102638 607313232 /nfs/dbraw/zinc/31/32/32/607313232.db2.gz FHUIMQFCLLURAS-UHFFFAOYSA-N -1 3 397.870 3.815 20 0 GHADHM CC(C)COc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000820102638 607313233 /nfs/dbraw/zinc/31/32/33/607313233.db2.gz FHUIMQFCLLURAS-UHFFFAOYSA-N -1 3 397.870 3.815 20 0 GHADHM CCCOc1cccc(CC(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)c1 ZINC000821133832 607313942 /nfs/dbraw/zinc/31/39/42/607313942.db2.gz GHALRSZFCNQEIA-UHFFFAOYSA-N -1 3 385.493 3.769 20 0 GHADHM CCCOc1cccc(CC(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)c1 ZINC000821133832 607313943 /nfs/dbraw/zinc/31/39/43/607313943.db2.gz GHALRSZFCNQEIA-UHFFFAOYSA-N -1 3 385.493 3.769 20 0 GHADHM COC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821673692 599265807 /nfs/dbraw/zinc/26/58/07/599265807.db2.gz JFKIGNINSGLJSU-UHFFFAOYSA-N -1 3 396.451 3.514 20 0 GHADHM COC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821673692 599265808 /nfs/dbraw/zinc/26/58/08/599265808.db2.gz JFKIGNINSGLJSU-UHFFFAOYSA-N -1 3 396.451 3.514 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736816616 599267626 /nfs/dbraw/zinc/26/76/26/599267626.db2.gz KUHZWNMIBWBQQG-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736816616 599267628 /nfs/dbraw/zinc/26/76/28/599267628.db2.gz KUHZWNMIBWBQQG-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(N2CCCCCC2)c1 ZINC000823757083 607317984 /nfs/dbraw/zinc/31/79/84/607317984.db2.gz LVKDFBNTEALHGG-UHFFFAOYSA-N -1 3 388.479 3.507 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(N2CCCCCC2)c1 ZINC000823757083 607317985 /nfs/dbraw/zinc/31/79/85/607317985.db2.gz LVKDFBNTEALHGG-UHFFFAOYSA-N -1 3 388.479 3.507 20 0 GHADHM CCCCCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000821056142 599277280 /nfs/dbraw/zinc/27/72/80/599277280.db2.gz MEGJNYIEVMFRER-UHFFFAOYSA-N -1 3 382.415 3.901 20 0 GHADHM CCCCCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000821056142 599277282 /nfs/dbraw/zinc/27/72/82/599277282.db2.gz MEGJNYIEVMFRER-UHFFFAOYSA-N -1 3 382.415 3.901 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000736488365 599277510 /nfs/dbraw/zinc/27/75/10/599277510.db2.gz PVTLZZGZYKQNMY-JKSUJKDBSA-N -1 3 380.427 3.570 20 0 GHADHM Cc1c2c(sc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CCCC2 ZINC000737220380 599279504 /nfs/dbraw/zinc/27/95/04/599279504.db2.gz VWYIEFSPAKPYJJ-LBPRGKRZSA-N -1 3 383.477 3.521 20 0 GHADHM Cc1c2c(sc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CCCC2 ZINC000737220380 599279507 /nfs/dbraw/zinc/27/95/07/599279507.db2.gz VWYIEFSPAKPYJJ-LBPRGKRZSA-N -1 3 383.477 3.521 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737381521 599280941 /nfs/dbraw/zinc/28/09/41/599280941.db2.gz YKMCFPAAVZFYSC-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737381521 599280943 /nfs/dbraw/zinc/28/09/43/599280943.db2.gz YKMCFPAAVZFYSC-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(-c2ccccc2Cl)o1 ZINC000737221337 599283089 /nfs/dbraw/zinc/28/30/89/599283089.db2.gz IZVCPLOZKHRPGH-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM Cc1ccsc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822379969 599290290 /nfs/dbraw/zinc/29/02/90/599290290.db2.gz XPUJRWNFUSEZJV-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM Cc1ccsc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822379969 599290292 /nfs/dbraw/zinc/29/02/92/599290292.db2.gz XPUJRWNFUSEZJV-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM COc1cccc(NC(=O)[C@H](NC2CCC(C(=O)[O-])CC2)c2ccccc2)c1 ZINC000820870841 598135782 /nfs/dbraw/zinc/13/57/82/598135782.db2.gz CDEIVVDUTBWSAJ-LBXVMSDZSA-N -1 3 382.460 3.608 20 0 GHADHM COC(=O)[C@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642402 607346084 /nfs/dbraw/zinc/34/60/84/607346084.db2.gz IQLMEUYDZGSJFR-QZTJIDSGSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642402 607346085 /nfs/dbraw/zinc/34/60/85/607346085.db2.gz IQLMEUYDZGSJFR-QZTJIDSGSA-N -1 3 399.882 3.721 20 0 GHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000820149369 598192146 /nfs/dbraw/zinc/19/21/46/598192146.db2.gz WGWMLZISWGLPLC-HNNXBMFYSA-N -1 3 387.501 3.952 20 0 GHADHM CCCc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000736497525 598231856 /nfs/dbraw/zinc/23/18/56/598231856.db2.gz ROEFBGAMUQQWIK-UHFFFAOYSA-N -1 3 389.419 3.587 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000737941470 598232961 /nfs/dbraw/zinc/23/29/61/598232961.db2.gz BZNACKYDFWXQFJ-LJQANCHMSA-N -1 3 379.489 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000737941470 598232964 /nfs/dbraw/zinc/23/29/64/598232964.db2.gz BZNACKYDFWXQFJ-LJQANCHMSA-N -1 3 379.489 3.616 20 0 GHADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925834 598235784 /nfs/dbraw/zinc/23/57/84/598235784.db2.gz ZEEUTJDEBASSIG-LJQANCHMSA-N -1 3 397.866 3.557 20 0 GHADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925834 598235786 /nfs/dbraw/zinc/23/57/86/598235786.db2.gz ZEEUTJDEBASSIG-LJQANCHMSA-N -1 3 397.866 3.557 20 0 GHADHM COc1ccc(Oc2cc(CNc3ccc(-c4nn[n-]n4)cc3F)ccn2)cc1 ZINC000737112411 598239638 /nfs/dbraw/zinc/23/96/38/598239638.db2.gz VMHKOPQUDKARTM-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000737798543 598240456 /nfs/dbraw/zinc/24/04/56/598240456.db2.gz LUYBEELSIBCTQM-QTJNJRLBSA-N -1 3 391.450 3.643 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000737798543 598240457 /nfs/dbraw/zinc/24/04/57/598240457.db2.gz LUYBEELSIBCTQM-QTJNJRLBSA-N -1 3 391.450 3.643 20 0 GHADHM CCOc1ccc(C2(CNc3ccc(-c4nn[n-]n4)cc3F)CCOCC2)cc1 ZINC000736637096 598241934 /nfs/dbraw/zinc/24/19/34/598241934.db2.gz MXPJPNZNPSKAMT-UHFFFAOYSA-N -1 3 397.454 3.565 20 0 GHADHM C[C@H](c1c(F)cccc1F)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736199135 598250379 /nfs/dbraw/zinc/25/03/79/598250379.db2.gz VUHAPFUEPAGWQP-CYBMUJFWSA-N -1 3 385.418 3.749 20 0 GHADHM C[C@H](c1c(F)cccc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736199135 598250380 /nfs/dbraw/zinc/25/03/80/598250380.db2.gz VUHAPFUEPAGWQP-CYBMUJFWSA-N -1 3 385.418 3.749 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000736480889 598267392 /nfs/dbraw/zinc/26/73/92/598267392.db2.gz OHRIRQUNFLUZBX-UHFFFAOYSA-N -1 3 390.369 3.728 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000736480889 598267393 /nfs/dbraw/zinc/26/73/93/598267393.db2.gz OHRIRQUNFLUZBX-UHFFFAOYSA-N -1 3 390.369 3.728 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)Nc2ccccc2Cl)n1 ZINC000737239188 598271576 /nfs/dbraw/zinc/27/15/76/598271576.db2.gz ACHCEEMBSGJTDW-NSHDSACASA-N -1 3 388.884 3.651 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)Nc2ccccc2Cl)n1 ZINC000737239188 598271582 /nfs/dbraw/zinc/27/15/82/598271582.db2.gz ACHCEEMBSGJTDW-NSHDSACASA-N -1 3 388.884 3.651 20 0 GHADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc(-c2ccncc2)n1 ZINC000736677718 598274861 /nfs/dbraw/zinc/27/48/61/598274861.db2.gz MBZISPYORMPAJR-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc(-c2ccncc2)n1 ZINC000736677718 598274863 /nfs/dbraw/zinc/27/48/63/598274863.db2.gz MBZISPYORMPAJR-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM Cc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CC2)c1 ZINC000737400479 598275361 /nfs/dbraw/zinc/27/53/61/598275361.db2.gz SAOKKBDAFIHYIQ-UHFFFAOYSA-N -1 3 388.397 3.521 20 0 GHADHM Cc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CC2)c1 ZINC000737400479 598275362 /nfs/dbraw/zinc/27/53/62/598275362.db2.gz SAOKKBDAFIHYIQ-UHFFFAOYSA-N -1 3 388.397 3.521 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CCO2)cc1 ZINC000737650477 598275918 /nfs/dbraw/zinc/27/59/18/598275918.db2.gz PAUNVXDUVQARFK-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cnc(C2CC2)s1 ZINC000738208601 598278347 /nfs/dbraw/zinc/27/83/47/598278347.db2.gz FOJRRFZUGPBUBA-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cnc(C2CC2)s1 ZINC000738208601 598278349 /nfs/dbraw/zinc/27/83/49/598278349.db2.gz FOJRRFZUGPBUBA-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000737420857 598280951 /nfs/dbraw/zinc/28/09/51/598280951.db2.gz HLPSBLFSNYXZOA-OAHLLOKOSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000737420857 598280953 /nfs/dbraw/zinc/28/09/53/598280953.db2.gz HLPSBLFSNYXZOA-OAHLLOKOSA-N -1 3 393.495 3.753 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736315674 598284378 /nfs/dbraw/zinc/28/43/78/598284378.db2.gz TUEGKHBKPLRMMQ-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315674 598284380 /nfs/dbraw/zinc/28/43/80/598284380.db2.gz TUEGKHBKPLRMMQ-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738104437 598293179 /nfs/dbraw/zinc/29/31/79/598293179.db2.gz YAIGRFJIABLDEV-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738104437 598293181 /nfs/dbraw/zinc/29/31/81/598293181.db2.gz YAIGRFJIABLDEV-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735651983 598298517 /nfs/dbraw/zinc/29/85/17/598298517.db2.gz ZOHRFCNCTFCPBV-UHFFFAOYSA-N -1 3 395.482 3.942 20 0 GHADHM CC(C)(C)c1ccc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735651983 598298518 /nfs/dbraw/zinc/29/85/18/598298518.db2.gz ZOHRFCNCTFCPBV-UHFFFAOYSA-N -1 3 395.482 3.942 20 0 GHADHM Cc1ccccc1C1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC000737419072 598299205 /nfs/dbraw/zinc/29/92/05/598299205.db2.gz CAKHWAUVQQALOU-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM Cc1ccccc1C1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC000737419072 598299207 /nfs/dbraw/zinc/29/92/07/598299207.db2.gz CAKHWAUVQQALOU-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736187452 598314654 /nfs/dbraw/zinc/31/46/54/598314654.db2.gz AVSZGUUUHZWISK-QWHCGFSZSA-N -1 3 397.479 3.605 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736187452 598314657 /nfs/dbraw/zinc/31/46/57/598314657.db2.gz AVSZGUUUHZWISK-QWHCGFSZSA-N -1 3 397.479 3.605 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCSc2ccccc21 ZINC000738406206 598318478 /nfs/dbraw/zinc/31/84/78/598318478.db2.gz BOBUAMSSBKXRRS-UHFFFAOYSA-N -1 3 388.909 3.829 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCSc2ccccc21 ZINC000738406206 598318480 /nfs/dbraw/zinc/31/84/80/598318480.db2.gz BOBUAMSSBKXRRS-UHFFFAOYSA-N -1 3 388.909 3.829 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736324942 598321399 /nfs/dbraw/zinc/32/13/99/598321399.db2.gz DCPDMOUYHHOHRB-SSCKCOOKSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736324942 598321401 /nfs/dbraw/zinc/32/14/01/598321401.db2.gz DCPDMOUYHHOHRB-SSCKCOOKSA-N -1 3 378.432 3.801 20 0 GHADHM CN(CCc1ccc(F)cc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736804806 598322592 /nfs/dbraw/zinc/32/25/92/598322592.db2.gz WUYODJVGWGRBRG-UHFFFAOYSA-N -1 3 390.875 3.531 20 0 GHADHM CN(CCc1ccc(F)cc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736804806 598322593 /nfs/dbraw/zinc/32/25/93/598322593.db2.gz WUYODJVGWGRBRG-UHFFFAOYSA-N -1 3 390.875 3.531 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736742265 598322695 /nfs/dbraw/zinc/32/26/95/598322695.db2.gz YXZVLLBUCFAZAZ-UHFFFAOYSA-N -1 3 380.811 3.632 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736742265 598322697 /nfs/dbraw/zinc/32/26/97/598322697.db2.gz YXZVLLBUCFAZAZ-UHFFFAOYSA-N -1 3 380.811 3.632 20 0 GHADHM CCCCCN(CCCCC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736446675 598328581 /nfs/dbraw/zinc/32/85/81/598328581.db2.gz LMWSSBXMAQHEEJ-UHFFFAOYSA-N -1 3 376.480 3.898 20 0 GHADHM CCCCCN(CCCCC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736446675 598328583 /nfs/dbraw/zinc/32/85/83/598328583.db2.gz LMWSSBXMAQHEEJ-UHFFFAOYSA-N -1 3 376.480 3.898 20 0 GHADHM COc1ccsc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737158742 598359258 /nfs/dbraw/zinc/35/92/58/598359258.db2.gz HATOXKXKSOEYGR-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1ccsc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737158742 598359260 /nfs/dbraw/zinc/35/92/60/598359260.db2.gz HATOXKXKSOEYGR-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000738152109 598361460 /nfs/dbraw/zinc/36/14/60/598361460.db2.gz NOKKUEBXCFECMX-IRXDYDNUSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000738152109 598361462 /nfs/dbraw/zinc/36/14/62/598361462.db2.gz NOKKUEBXCFECMX-IRXDYDNUSA-N -1 3 398.854 3.562 20 0 GHADHM C[C@@H](CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735975844 598370831 /nfs/dbraw/zinc/37/08/31/598370831.db2.gz KDUUQCAECNBVAZ-AWEZNQCLSA-N -1 3 384.411 3.512 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735643707 598371112 /nfs/dbraw/zinc/37/11/12/598371112.db2.gz QRFOSZHLAUAXPU-UHFFFAOYSA-N -1 3 382.493 3.808 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736303984 598390573 /nfs/dbraw/zinc/39/05/73/598390573.db2.gz MSAMUPWWWKCGHL-CYBMUJFWSA-N -1 3 379.468 3.574 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736303984 598390575 /nfs/dbraw/zinc/39/05/75/598390575.db2.gz MSAMUPWWWKCGHL-CYBMUJFWSA-N -1 3 379.468 3.574 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000735502648 598393862 /nfs/dbraw/zinc/39/38/62/598393862.db2.gz BOEKWICXMUOUSP-QMMMGPOBSA-N -1 3 387.490 3.569 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000735502648 598393864 /nfs/dbraw/zinc/39/38/64/598393864.db2.gz BOEKWICXMUOUSP-QMMMGPOBSA-N -1 3 387.490 3.569 20 0 GHADHM Brc1cc2c(cc1CSc1ccc(-c3nnn[n-]3)cc1)OCO2 ZINC000735368177 598419173 /nfs/dbraw/zinc/41/91/73/598419173.db2.gz HAAMNNDYUQFCAW-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM Brc1cc2c(cc1CSc1ccc(-c3nn[n-]n3)cc1)OCO2 ZINC000735368177 598419175 /nfs/dbraw/zinc/41/91/75/598419175.db2.gz HAAMNNDYUQFCAW-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1sccc1SC ZINC000737024401 598419406 /nfs/dbraw/zinc/41/94/06/598419406.db2.gz HRUPMCSRWQQFIC-UHFFFAOYSA-N -1 3 382.854 3.531 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1sccc1SC ZINC000737024401 598419408 /nfs/dbraw/zinc/41/94/08/598419408.db2.gz HRUPMCSRWQQFIC-UHFFFAOYSA-N -1 3 382.854 3.531 20 0 GHADHM CSc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737190687 598430579 /nfs/dbraw/zinc/43/05/79/598430579.db2.gz OTMLILLRONIAGY-UHFFFAOYSA-N -1 3 396.520 3.709 20 0 GHADHM CSc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737190687 598430581 /nfs/dbraw/zinc/43/05/81/598430581.db2.gz OTMLILLRONIAGY-UHFFFAOYSA-N -1 3 396.520 3.709 20 0 GHADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000737337758 598430595 /nfs/dbraw/zinc/43/05/95/598430595.db2.gz QNTAKWOQYOYMSB-UHFFFAOYSA-N -1 3 392.507 3.646 20 0 GHADHM Cc1ccc(CCNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000737337758 598430597 /nfs/dbraw/zinc/43/05/97/598430597.db2.gz QNTAKWOQYOYMSB-UHFFFAOYSA-N -1 3 392.507 3.646 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738191987 598439126 /nfs/dbraw/zinc/43/91/26/598439126.db2.gz PDJFGKCSCKCEGX-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738191987 598439127 /nfs/dbraw/zinc/43/91/27/598439127.db2.gz PDJFGKCSCKCEGX-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM CCS[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)C ZINC000736666413 598442125 /nfs/dbraw/zinc/44/21/25/598442125.db2.gz RXKKUZNGZVDIHA-KRWDZBQOSA-N -1 3 398.492 3.770 20 0 GHADHM CCS[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)C ZINC000736666413 598442126 /nfs/dbraw/zinc/44/21/26/598442126.db2.gz RXKKUZNGZVDIHA-KRWDZBQOSA-N -1 3 398.492 3.770 20 0 GHADHM COc1ccccc1C(C)=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737140888 598442932 /nfs/dbraw/zinc/44/29/32/598442932.db2.gz GIDLVLUREXUMAG-SSZFMOIBSA-N -1 3 391.475 3.716 20 0 GHADHM COc1ccccc1C(C)=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737140888 598442933 /nfs/dbraw/zinc/44/29/33/598442933.db2.gz GIDLVLUREXUMAG-SSZFMOIBSA-N -1 3 391.475 3.716 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000737292591 598444603 /nfs/dbraw/zinc/44/46/03/598444603.db2.gz VVSYAVJHEUQZQB-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000737292591 598444605 /nfs/dbraw/zinc/44/46/05/598444605.db2.gz VVSYAVJHEUQZQB-UHFFFAOYSA-N -1 3 391.353 3.645 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737284087 598448933 /nfs/dbraw/zinc/44/89/33/598448933.db2.gz YYCPIAMIFZGWMV-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737284087 598448934 /nfs/dbraw/zinc/44/89/34/598448934.db2.gz YYCPIAMIFZGWMV-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM O=C(Nc1cccc(CCCc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738183291 598453905 /nfs/dbraw/zinc/45/39/05/598453905.db2.gz KVJOZSSQGQTPNR-UHFFFAOYSA-N -1 3 384.443 3.689 20 0 GHADHM O=C(Nc1cccc(CCCc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738183291 598453906 /nfs/dbraw/zinc/45/39/06/598453906.db2.gz KVJOZSSQGQTPNR-UHFFFAOYSA-N -1 3 384.443 3.689 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000738099599 598455045 /nfs/dbraw/zinc/45/50/45/598455045.db2.gz HGALZCOTFCUGLZ-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000738099599 598455046 /nfs/dbraw/zinc/45/50/46/598455046.db2.gz HGALZCOTFCUGLZ-OALUTQOASA-N -1 3 387.418 3.579 20 0 GHADHM CCN(Cc1nc2cc(F)ccc2n1CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736555078 598460528 /nfs/dbraw/zinc/46/05/28/598460528.db2.gz DFJIPWAHSNGFOF-AWEZNQCLSA-N -1 3 393.470 3.959 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nn[n-]n3)cc1)O[C@@H](C)C2 ZINC000736636161 598467531 /nfs/dbraw/zinc/46/75/31/598467531.db2.gz PCXZBTJKVLRJHI-IWEFOYFVSA-N -1 3 377.448 3.557 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000735906709 598476079 /nfs/dbraw/zinc/47/60/79/598476079.db2.gz UEOSPOVRGPYPHS-HNNXBMFYSA-N -1 3 394.479 3.921 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000735906709 598476080 /nfs/dbraw/zinc/47/60/80/598476080.db2.gz UEOSPOVRGPYPHS-HNNXBMFYSA-N -1 3 394.479 3.921 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737548228 598483413 /nfs/dbraw/zinc/48/34/13/598483413.db2.gz OSXAWFPHBVTILY-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737548228 598483414 /nfs/dbraw/zinc/48/34/14/598483414.db2.gz OSXAWFPHBVTILY-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM C[C@@H](OC(=O)c1sccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000736162651 598487896 /nfs/dbraw/zinc/48/78/96/598487896.db2.gz DJXRDJMHIQFYFK-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1sccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000736162651 598487898 /nfs/dbraw/zinc/48/78/98/598487898.db2.gz DJXRDJMHIQFYFK-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736303709 598489777 /nfs/dbraw/zinc/48/97/77/598489777.db2.gz KCEHTOXVTUAFKF-KXQLTZBTSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736303709 598489778 /nfs/dbraw/zinc/48/97/78/598489778.db2.gz KCEHTOXVTUAFKF-KXQLTZBTSA-N -1 3 394.431 3.592 20 0 GHADHM CCOc1c(C)cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736629110 598492338 /nfs/dbraw/zinc/49/23/38/598492338.db2.gz UJHYOQSQFHAQCB-UHFFFAOYSA-N -1 3 380.448 3.558 20 0 GHADHM CCOc1c(C)cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736629110 598492339 /nfs/dbraw/zinc/49/23/39/598492339.db2.gz UJHYOQSQFHAQCB-UHFFFAOYSA-N -1 3 380.448 3.558 20 0 GHADHM Clc1ccccc1N1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737582417 598493414 /nfs/dbraw/zinc/49/34/14/598493414.db2.gz ABTWPQRWUBMRKD-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM Clc1ccccc1N1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737582417 598493415 /nfs/dbraw/zinc/49/34/15/598493415.db2.gz ABTWPQRWUBMRKD-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM CC(C)C[C@H](C)CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735760305 598494182 /nfs/dbraw/zinc/49/41/82/598494182.db2.gz AMRSTBYTZMEWMT-ZDUSSCGKSA-N -1 3 384.509 3.925 20 0 GHADHM CC(C)C[C@H](C)CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735760305 598494183 /nfs/dbraw/zinc/49/41/83/598494183.db2.gz AMRSTBYTZMEWMT-ZDUSSCGKSA-N -1 3 384.509 3.925 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736308401 598494667 /nfs/dbraw/zinc/49/46/67/598494667.db2.gz DEPABTXEEBXHPZ-UHFFFAOYSA-N -1 3 399.476 3.709 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736308401 598494668 /nfs/dbraw/zinc/49/46/68/598494668.db2.gz DEPABTXEEBXHPZ-UHFFFAOYSA-N -1 3 399.476 3.709 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000736691893 598497984 /nfs/dbraw/zinc/49/79/84/598497984.db2.gz ZGRMUZWRFGEXCB-AWEZNQCLSA-N -1 3 379.464 3.959 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000736691893 598497986 /nfs/dbraw/zinc/49/79/86/598497986.db2.gz ZGRMUZWRFGEXCB-AWEZNQCLSA-N -1 3 379.464 3.959 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731043 598514831 /nfs/dbraw/zinc/51/48/31/598514831.db2.gz GAEOLRNROAZXOV-ZIAGYGMSSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731043 598514832 /nfs/dbraw/zinc/51/48/32/598514832.db2.gz GAEOLRNROAZXOV-ZIAGYGMSSA-N -1 3 388.258 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cn(CC)c3ccccc23)c1-c1nnn[n-]1 ZINC000736676387 598516093 /nfs/dbraw/zinc/51/60/93/598516093.db2.gz SZAKUTSIILBBPT-UHFFFAOYSA-N -1 3 394.504 3.955 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cn(CC)c3ccccc23)c1-c1nn[n-]n1 ZINC000736676387 598516094 /nfs/dbraw/zinc/51/60/94/598516094.db2.gz SZAKUTSIILBBPT-UHFFFAOYSA-N -1 3 394.504 3.955 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Br)cc2)c1-c1nnn[n-]1 ZINC000736675778 598518747 /nfs/dbraw/zinc/51/87/47/598518747.db2.gz MXUDNYVNPRGEAE-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000736675778 598518749 /nfs/dbraw/zinc/51/87/49/598518749.db2.gz MXUDNYVNPRGEAE-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796538 598519142 /nfs/dbraw/zinc/51/91/42/598519142.db2.gz DCRJIMYBQBPYGX-SJLPKXTDSA-N -1 3 387.553 3.821 20 0 GHADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796538 598519143 /nfs/dbraw/zinc/51/91/43/598519143.db2.gz DCRJIMYBQBPYGX-SJLPKXTDSA-N -1 3 387.553 3.821 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737023402 598533216 /nfs/dbraw/zinc/53/32/16/598533216.db2.gz DXXLKVAYAKROPA-MSOLQXFVSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737023402 598533217 /nfs/dbraw/zinc/53/32/17/598533217.db2.gz DXXLKVAYAKROPA-MSOLQXFVSA-N -1 3 386.411 3.738 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)s1 ZINC000735496193 598535539 /nfs/dbraw/zinc/53/55/39/598535539.db2.gz XOHWTCRJHWTSFY-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)s1 ZINC000735496193 598535541 /nfs/dbraw/zinc/53/55/41/598535541.db2.gz XOHWTCRJHWTSFY-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738164342 598538576 /nfs/dbraw/zinc/53/85/76/598538576.db2.gz WGFWZUZNWHLXPD-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM CC1CCC(C)(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736239037 598539984 /nfs/dbraw/zinc/53/99/84/598539984.db2.gz VIWSEKUGGKAIJW-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735691373 598541831 /nfs/dbraw/zinc/54/18/31/598541831.db2.gz CURNHHMOFYYYKF-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735691373 598541832 /nfs/dbraw/zinc/54/18/32/598541832.db2.gz CURNHHMOFYYYKF-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CCCSCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736498711 598543421 /nfs/dbraw/zinc/54/34/21/598543421.db2.gz YAMAGMYMNPOYBT-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM CCCSCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736498711 598543422 /nfs/dbraw/zinc/54/34/22/598543422.db2.gz YAMAGMYMNPOYBT-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM CC1(CNC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCCC1 ZINC000736217439 598543508 /nfs/dbraw/zinc/54/35/08/598543508.db2.gz VIWKJSDUPKUCOC-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM O=C(CCSc1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737850340 598547090 /nfs/dbraw/zinc/54/70/90/598547090.db2.gz TVDLJQWGCXFKHZ-UHFFFAOYSA-N -1 3 391.403 3.589 20 0 GHADHM O=C(CCSc1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737850340 598547092 /nfs/dbraw/zinc/54/70/92/598547092.db2.gz TVDLJQWGCXFKHZ-UHFFFAOYSA-N -1 3 391.403 3.589 20 0 GHADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000737918685 598550932 /nfs/dbraw/zinc/55/09/32/598550932.db2.gz IHGLWKHOHHBTPD-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000737918685 598550933 /nfs/dbraw/zinc/55/09/33/598550933.db2.gz IHGLWKHOHHBTPD-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737178578 598553470 /nfs/dbraw/zinc/55/34/70/598553470.db2.gz AJTHLHRGHSCMJW-CQSZACIVSA-N -1 3 397.504 3.692 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737178578 598553472 /nfs/dbraw/zinc/55/34/72/598553472.db2.gz AJTHLHRGHSCMJW-CQSZACIVSA-N -1 3 397.504 3.692 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736274845 598560510 /nfs/dbraw/zinc/56/05/10/598560510.db2.gz VJGUWHPLKNSKJL-MFKMUULPSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736274845 598560511 /nfs/dbraw/zinc/56/05/11/598560511.db2.gz VJGUWHPLKNSKJL-MFKMUULPSA-N -1 3 380.399 3.511 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737419150 598561219 /nfs/dbraw/zinc/56/12/19/598561219.db2.gz CVUMUGLBKGZSGN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737419150 598561220 /nfs/dbraw/zinc/56/12/20/598561220.db2.gz CVUMUGLBKGZSGN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738144432 598569139 /nfs/dbraw/zinc/56/91/39/598569139.db2.gz LYQXHIFNUQDDTO-VXGBXAGGSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738144432 598569141 /nfs/dbraw/zinc/56/91/41/598569141.db2.gz LYQXHIFNUQDDTO-VXGBXAGGSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737478053 598575071 /nfs/dbraw/zinc/57/50/71/598575071.db2.gz PIOWLKJYEYMCCC-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737478053 598575073 /nfs/dbraw/zinc/57/50/73/598575073.db2.gz PIOWLKJYEYMCCC-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CC(C)c1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000735921073 598585595 /nfs/dbraw/zinc/58/55/95/598585595.db2.gz IBSOERLQFUOOQA-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000735921073 598585597 /nfs/dbraw/zinc/58/55/97/598585597.db2.gz IBSOERLQFUOOQA-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737837977 598586555 /nfs/dbraw/zinc/58/65/55/598586555.db2.gz WHHXHMGMZNCNRW-UHFFFAOYSA-N -1 3 391.406 3.957 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737837977 598586556 /nfs/dbraw/zinc/58/65/56/598586556.db2.gz WHHXHMGMZNCNRW-UHFFFAOYSA-N -1 3 391.406 3.957 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737798598 598588005 /nfs/dbraw/zinc/58/80/05/598588005.db2.gz MTHDFNZPVPOZIC-SOFGYWHQSA-N -1 3 394.797 3.859 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737798598 598588006 /nfs/dbraw/zinc/58/80/06/598588006.db2.gz MTHDFNZPVPOZIC-SOFGYWHQSA-N -1 3 394.797 3.859 20 0 GHADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)Sc1ccc(Br)cc1 ZINC000736025307 598592962 /nfs/dbraw/zinc/59/29/62/598592962.db2.gz FYBSJKKOAWDWLF-SNVBAGLBSA-N -1 3 391.298 3.617 20 0 GHADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)Sc1ccc(Br)cc1 ZINC000736025307 598592963 /nfs/dbraw/zinc/59/29/63/598592963.db2.gz FYBSJKKOAWDWLF-SNVBAGLBSA-N -1 3 391.298 3.617 20 0 GHADHM COc1cc(CSCCOc2ccccc2-c2nnn[n-]2)ccc1SC ZINC000737048414 598596720 /nfs/dbraw/zinc/59/67/20/598596720.db2.gz ZYTIFFIGJGAIOC-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM COc1cc(CSCCOc2ccccc2-c2nn[n-]n2)ccc1SC ZINC000737048414 598596722 /nfs/dbraw/zinc/59/67/22/598596722.db2.gz ZYTIFFIGJGAIOC-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM c1cc(-c2nc(-c3ccccc3)no2)oc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000738427347 598607863 /nfs/dbraw/zinc/60/78/63/598607863.db2.gz VAIPOZUTVLDPLZ-UHFFFAOYSA-N -1 3 386.371 3.756 20 0 GHADHM C[C@@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736255872 598646057 /nfs/dbraw/zinc/64/60/57/598646057.db2.gz XBEHUAIAKCFLNO-DYVFJYSZSA-N -1 3 379.420 3.790 20 0 GHADHM C[C@@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736255872 598646060 /nfs/dbraw/zinc/64/60/60/598646060.db2.gz XBEHUAIAKCFLNO-DYVFJYSZSA-N -1 3 379.420 3.790 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000736504944 598647571 /nfs/dbraw/zinc/64/75/71/598647571.db2.gz JTGCFUAMOZBKEC-UHFFFAOYSA-N -1 3 397.548 3.776 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000736504944 598647573 /nfs/dbraw/zinc/64/75/73/598647573.db2.gz JTGCFUAMOZBKEC-UHFFFAOYSA-N -1 3 397.548 3.776 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000736731353 598647750 /nfs/dbraw/zinc/64/77/50/598647750.db2.gz ALSHGWJOYSOGSP-HXUWFJFHSA-N -1 3 391.475 3.562 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000736731353 598647752 /nfs/dbraw/zinc/64/77/52/598647752.db2.gz ALSHGWJOYSOGSP-HXUWFJFHSA-N -1 3 391.475 3.562 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000737832307 598648394 /nfs/dbraw/zinc/64/83/94/598648394.db2.gz JAPJSOQKNRZRPB-OAQYLSRUSA-N -1 3 391.475 3.683 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CC1 ZINC000737832307 598648395 /nfs/dbraw/zinc/64/83/95/598648395.db2.gz JAPJSOQKNRZRPB-OAQYLSRUSA-N -1 3 391.475 3.683 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@@H]12 ZINC000736277022 598652682 /nfs/dbraw/zinc/65/26/82/598652682.db2.gz KPQVPAZUYCZWOB-LSTHTHJFSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]12 ZINC000736277022 598652685 /nfs/dbraw/zinc/65/26/85/598652685.db2.gz KPQVPAZUYCZWOB-LSTHTHJFSA-N -1 3 397.523 3.843 20 0 GHADHM CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736647739 598652949 /nfs/dbraw/zinc/65/29/49/598652949.db2.gz STLFWUGUECQCLD-UHFFFAOYSA-N -1 3 399.426 3.592 20 0 GHADHM CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736647739 598652951 /nfs/dbraw/zinc/65/29/51/598652951.db2.gz STLFWUGUECQCLD-UHFFFAOYSA-N -1 3 399.426 3.592 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737825698 598654083 /nfs/dbraw/zinc/65/40/83/598654083.db2.gz NXSSJXMMGHTXKB-CQSZACIVSA-N -1 3 383.477 3.883 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737825698 598654085 /nfs/dbraw/zinc/65/40/85/598654085.db2.gz NXSSJXMMGHTXKB-CQSZACIVSA-N -1 3 383.477 3.883 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736829453 598654847 /nfs/dbraw/zinc/65/48/47/598654847.db2.gz DYWNUIWKSVPKEQ-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736829453 598654849 /nfs/dbraw/zinc/65/48/49/598654849.db2.gz DYWNUIWKSVPKEQ-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737822921 598655292 /nfs/dbraw/zinc/65/52/92/598655292.db2.gz CZGKJSKCPWCSDK-QGZVFWFLSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737822921 598655293 /nfs/dbraw/zinc/65/52/93/598655293.db2.gz CZGKJSKCPWCSDK-QGZVFWFLSA-N -1 3 393.447 3.947 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737375041 598655310 /nfs/dbraw/zinc/65/53/10/598655310.db2.gz BPERMBJQWWOXQL-HXUWFJFHSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737375041 598655311 /nfs/dbraw/zinc/65/53/11/598655311.db2.gz BPERMBJQWWOXQL-HXUWFJFHSA-N -1 3 391.475 3.528 20 0 GHADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736355559 598656019 /nfs/dbraw/zinc/65/60/19/598656019.db2.gz JLCBOLBXIMZXMV-IBGZPJMESA-N -1 3 385.512 3.891 20 0 GHADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736355559 598656021 /nfs/dbraw/zinc/65/60/21/598656021.db2.gz JLCBOLBXIMZXMV-IBGZPJMESA-N -1 3 385.512 3.891 20 0 GHADHM Fc1ccc(C2(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)CCOCC2)cc1 ZINC000737647021 598657998 /nfs/dbraw/zinc/65/79/98/598657998.db2.gz AMGPUNDAKZVVQQ-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(C2(CNc3ccc(-c4nn[n-]n4)c(Cl)c3)CCOCC2)cc1 ZINC000737647021 598658000 /nfs/dbraw/zinc/65/80/00/598658000.db2.gz AMGPUNDAKZVVQQ-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM CC(C)N(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000735856554 598664323 /nfs/dbraw/zinc/66/43/23/598664323.db2.gz KMNRXRIVDOMUAK-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM CC(C)N(C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000735856554 598664325 /nfs/dbraw/zinc/66/43/25/598664325.db2.gz KMNRXRIVDOMUAK-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(-c2ccccc2)o1 ZINC000737942092 598666885 /nfs/dbraw/zinc/66/68/85/598666885.db2.gz UNSVUDNVYIUDKF-UHFFFAOYSA-N -1 3 391.456 3.535 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(-c2ccccc2)o1 ZINC000737942092 598666887 /nfs/dbraw/zinc/66/68/87/598666887.db2.gz UNSVUDNVYIUDKF-UHFFFAOYSA-N -1 3 391.456 3.535 20 0 GHADHM CC(C)(C)c1ccc(O)c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735651365 598698224 /nfs/dbraw/zinc/69/82/24/598698224.db2.gz SIVLNUMJUVNFBT-UHFFFAOYSA-N -1 3 383.477 3.601 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccccc1-c1nn[n-]n1 ZINC000736214263 598707551 /nfs/dbraw/zinc/70/75/51/598707551.db2.gz MBYXTTHAHLMQGL-GOSISDBHSA-N -1 3 383.883 3.872 20 0 GHADHM Cc1oc(-c2ccccc2)nc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737548890 598723331 /nfs/dbraw/zinc/72/33/31/598723331.db2.gz UBGUQDAOPYCBTR-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM Cc1oc(-c2ccccc2)nc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737548890 598723333 /nfs/dbraw/zinc/72/33/33/598723333.db2.gz UBGUQDAOPYCBTR-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000736633894 598729029 /nfs/dbraw/zinc/72/90/29/598729029.db2.gz GBCURQYNGXTGCF-UHFFFAOYSA-N -1 3 384.484 3.844 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000736633894 598729030 /nfs/dbraw/zinc/72/90/30/598729030.db2.gz GBCURQYNGXTGCF-UHFFFAOYSA-N -1 3 384.484 3.844 20 0 GHADHM O=C(OCCc1ccsc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738223818 598736575 /nfs/dbraw/zinc/73/65/75/598736575.db2.gz XLXXRSZGYLMFRK-UHFFFAOYSA-N -1 3 393.428 3.515 20 0 GHADHM O=C(OCCc1ccsc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738223818 598736576 /nfs/dbraw/zinc/73/65/76/598736576.db2.gz XLXXRSZGYLMFRK-UHFFFAOYSA-N -1 3 393.428 3.515 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)O[C@@H]1CCc2ccccc2C1 ZINC000737840979 598740566 /nfs/dbraw/zinc/74/05/66/598740566.db2.gz HGZKCRJLZAQMRK-HXUWFJFHSA-N -1 3 392.459 3.517 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)O[C@@H]1CCc2ccccc2C1 ZINC000737840979 598740567 /nfs/dbraw/zinc/74/05/67/598740567.db2.gz HGZKCRJLZAQMRK-HXUWFJFHSA-N -1 3 392.459 3.517 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000735828921 598741328 /nfs/dbraw/zinc/74/13/28/598741328.db2.gz BYNBIGJUANKEDJ-KRWDZBQOSA-N -1 3 377.492 3.730 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000735828921 598741329 /nfs/dbraw/zinc/74/13/29/598741329.db2.gz BYNBIGJUANKEDJ-KRWDZBQOSA-N -1 3 377.492 3.730 20 0 GHADHM C[C@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCCC1 ZINC000735973000 598745284 /nfs/dbraw/zinc/74/52/84/598745284.db2.gz BCYGXMPEAGVNLZ-MRXNPFEDSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736168546 598746976 /nfs/dbraw/zinc/74/69/76/598746976.db2.gz INDCMQNFMKDGIG-INIZCTEOSA-N -1 3 393.491 3.709 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735921513 598752902 /nfs/dbraw/zinc/75/29/02/598752902.db2.gz SDTYGJQUSFOZDE-CQSZACIVSA-N -1 3 396.520 3.657 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737421382 598759034 /nfs/dbraw/zinc/75/90/34/598759034.db2.gz LXIKATMMSVMIBR-DNVCBOLYSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421382 598759036 /nfs/dbraw/zinc/75/90/36/598759036.db2.gz LXIKATMMSVMIBR-DNVCBOLYSA-N -1 3 378.480 3.933 20 0 GHADHM Fc1ccc2c(c1)CC[C@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737665734 598771957 /nfs/dbraw/zinc/77/19/57/598771957.db2.gz IPMASRIDPVEELQ-MRXNPFEDSA-N -1 3 382.349 3.932 20 0 GHADHM Fc1ccc2c(c1)CC[C@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737665734 598771959 /nfs/dbraw/zinc/77/19/59/598771959.db2.gz IPMASRIDPVEELQ-MRXNPFEDSA-N -1 3 382.349 3.932 20 0 GHADHM CC(C)(C)CCCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735603971 598785428 /nfs/dbraw/zinc/78/54/28/598785428.db2.gz QIYATUYHNKNJFK-UHFFFAOYSA-N -1 3 383.452 3.553 20 0 GHADHM CC(C)(C)CCCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735603971 598785429 /nfs/dbraw/zinc/78/54/29/598785429.db2.gz QIYATUYHNKNJFK-UHFFFAOYSA-N -1 3 383.452 3.553 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)[C@H]1CCc2ccccc21 ZINC000738171138 598791186 /nfs/dbraw/zinc/79/11/86/598791186.db2.gz CCJZBFFEAJMUJG-IBGZPJMESA-N -1 3 398.426 3.723 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)[C@H]1CCc2ccccc21 ZINC000738171138 598791187 /nfs/dbraw/zinc/79/11/87/598791187.db2.gz CCJZBFFEAJMUJG-IBGZPJMESA-N -1 3 398.426 3.723 20 0 GHADHM Cc1sc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000737564394 598803080 /nfs/dbraw/zinc/80/30/80/598803080.db2.gz SVNQSHVCEYTMCJ-QMMMGPOBSA-N -1 3 395.847 3.744 20 0 GHADHM Cc1sc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000737564394 598803081 /nfs/dbraw/zinc/80/30/81/598803081.db2.gz SVNQSHVCEYTMCJ-QMMMGPOBSA-N -1 3 395.847 3.744 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000738152027 598805722 /nfs/dbraw/zinc/80/57/22/598805722.db2.gz PHYLBJZLVIGYFE-GOSISDBHSA-N -1 3 388.456 3.734 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000738152027 598805723 /nfs/dbraw/zinc/80/57/23/598805723.db2.gz PHYLBJZLVIGYFE-GOSISDBHSA-N -1 3 388.456 3.734 20 0 GHADHM O=C(c1ccco1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738285214 598807592 /nfs/dbraw/zinc/80/75/92/598807592.db2.gz DUCUMQUVTJIFPJ-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM O=C(c1ccco1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738285214 598807593 /nfs/dbraw/zinc/80/75/93/598807593.db2.gz DUCUMQUVTJIFPJ-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000820269702 599296179 /nfs/dbraw/zinc/29/61/79/599296179.db2.gz OEDNPBLYPVWQCV-LBPRGKRZSA-N -1 3 396.426 3.966 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000820269702 599296181 /nfs/dbraw/zinc/29/61/81/599296181.db2.gz OEDNPBLYPVWQCV-LBPRGKRZSA-N -1 3 396.426 3.966 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000820379349 599296426 /nfs/dbraw/zinc/29/64/26/599296426.db2.gz BDQGPAKPZUBQAM-LLVKDONJSA-N -1 3 382.399 3.718 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000820379349 599296427 /nfs/dbraw/zinc/29/64/27/599296427.db2.gz BDQGPAKPZUBQAM-LLVKDONJSA-N -1 3 382.399 3.718 20 0 GHADHM CCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508380 599312480 /nfs/dbraw/zinc/31/24/80/599312480.db2.gz KWRPPGDDNDGMOH-UHFFFAOYSA-N -1 3 380.433 3.558 20 0 GHADHM CCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508380 599312483 /nfs/dbraw/zinc/31/24/83/599312483.db2.gz KWRPPGDDNDGMOH-UHFFFAOYSA-N -1 3 380.433 3.558 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000821099418 599313788 /nfs/dbraw/zinc/31/37/88/599313788.db2.gz GYAIKLRTPDOSRX-NZQKXSOJSA-N -1 3 387.487 3.509 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000821099418 599313790 /nfs/dbraw/zinc/31/37/90/599313790.db2.gz GYAIKLRTPDOSRX-NZQKXSOJSA-N -1 3 387.487 3.509 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820690514 599322726 /nfs/dbraw/zinc/32/27/26/599322726.db2.gz NESRPYCNJYKYJI-PBHICJAKSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820690514 599322727 /nfs/dbraw/zinc/32/27/27/599322727.db2.gz NESRPYCNJYKYJI-PBHICJAKSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H](SCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187788 599327599 /nfs/dbraw/zinc/32/75/99/599327599.db2.gz BXFXAQGRYYHURB-ZDUSSCGKSA-N -1 3 379.489 3.788 20 0 GHADHM C[C@H](SCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187788 599327601 /nfs/dbraw/zinc/32/76/01/599327601.db2.gz BXFXAQGRYYHURB-ZDUSSCGKSA-N -1 3 379.489 3.788 20 0 GHADHM C[C@@H](SCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189572 599327788 /nfs/dbraw/zinc/32/77/88/599327788.db2.gz PUUNOOZGGFMVSF-LSDHHAIUSA-N -1 3 381.505 3.881 20 0 GHADHM C[C@@H](SCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189572 599327792 /nfs/dbraw/zinc/32/77/92/599327792.db2.gz PUUNOOZGGFMVSF-LSDHHAIUSA-N -1 3 381.505 3.881 20 0 GHADHM FC(F)(F)Cc1cccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737625693 599333287 /nfs/dbraw/zinc/33/32/87/599333287.db2.gz DHJKPVCLTNORST-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820564124 599344330 /nfs/dbraw/zinc/34/43/30/599344330.db2.gz YWDQEYBVNZUHGP-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820564124 599344332 /nfs/dbraw/zinc/34/43/32/599344332.db2.gz YWDQEYBVNZUHGP-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737940633 599346857 /nfs/dbraw/zinc/34/68/57/599346857.db2.gz HFWIGEWUYGISHU-UHFFFAOYSA-N -1 3 397.508 3.758 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737940633 599346859 /nfs/dbraw/zinc/34/68/59/599346859.db2.gz HFWIGEWUYGISHU-UHFFFAOYSA-N -1 3 397.508 3.758 20 0 GHADHM CCCCC[C@@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736440777 599365897 /nfs/dbraw/zinc/36/58/97/599365897.db2.gz HBYBJRVXQPGKSH-GOSISDBHSA-N -1 3 394.475 3.908 20 0 GHADHM CCCCC[C@@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736440777 599365901 /nfs/dbraw/zinc/36/59/01/599365901.db2.gz HBYBJRVXQPGKSH-GOSISDBHSA-N -1 3 394.475 3.908 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736124907 599368855 /nfs/dbraw/zinc/36/88/55/599368855.db2.gz IRXWFYFUGPDHEJ-SECBINFHSA-N -1 3 376.848 3.707 20 0 GHADHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736124907 599368858 /nfs/dbraw/zinc/36/88/58/599368858.db2.gz IRXWFYFUGPDHEJ-SECBINFHSA-N -1 3 376.848 3.707 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820777549 599369412 /nfs/dbraw/zinc/36/94/12/599369412.db2.gz SARWRDDLNMLFHH-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820777549 599369414 /nfs/dbraw/zinc/36/94/14/599369414.db2.gz SARWRDDLNMLFHH-ZNMIVQPWSA-N -1 3 396.470 3.793 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000821516849 599371571 /nfs/dbraw/zinc/37/15/71/599371571.db2.gz DKIUWNHEGHZQPV-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000821516849 599371574 /nfs/dbraw/zinc/37/15/74/599371574.db2.gz DKIUWNHEGHZQPV-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM CSCCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737182410 599377011 /nfs/dbraw/zinc/37/70/11/599377011.db2.gz QWJUODWQSPBBBN-UHFFFAOYSA-N -1 3 385.518 3.501 20 0 GHADHM CSCCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737182410 599377014 /nfs/dbraw/zinc/37/70/14/599377014.db2.gz QWJUODWQSPBBBN-UHFFFAOYSA-N -1 3 385.518 3.501 20 0 GHADHM CCCC[C@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736436258 599378005 /nfs/dbraw/zinc/37/80/05/599378005.db2.gz BVDRHZCVMUULIA-QGZVFWFLSA-N -1 3 395.463 3.594 20 0 GHADHM CCCC[C@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736436258 599378008 /nfs/dbraw/zinc/37/80/08/599378008.db2.gz BVDRHZCVMUULIA-QGZVFWFLSA-N -1 3 395.463 3.594 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737184560 599383170 /nfs/dbraw/zinc/38/31/70/599383170.db2.gz ZCLQBXAULXKMEU-ZDUSSCGKSA-N -1 3 399.545 3.889 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737184560 599383173 /nfs/dbraw/zinc/38/31/73/599383173.db2.gz ZCLQBXAULXKMEU-ZDUSSCGKSA-N -1 3 399.545 3.889 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737214991 599383247 /nfs/dbraw/zinc/38/32/47/599383247.db2.gz CYPPMFNXQDNWAP-UHFFFAOYSA-N -1 3 381.867 3.741 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737214991 599383250 /nfs/dbraw/zinc/38/32/50/599383250.db2.gz CYPPMFNXQDNWAP-UHFFFAOYSA-N -1 3 381.867 3.741 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737215221 599383451 /nfs/dbraw/zinc/38/34/51/599383451.db2.gz FHJIKZPOWOOPQC-ZDUSSCGKSA-N -1 3 397.866 3.575 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737215221 599383453 /nfs/dbraw/zinc/38/34/53/599383453.db2.gz FHJIKZPOWOOPQC-ZDUSSCGKSA-N -1 3 397.866 3.575 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1ccccc1C(C)(C)C ZINC000822130577 599387159 /nfs/dbraw/zinc/38/71/59/599387159.db2.gz WGWNKMLYJDPGBY-UHFFFAOYSA-N -1 3 379.464 3.799 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000822135939 599387185 /nfs/dbraw/zinc/38/71/85/599387185.db2.gz HFNHGWNMFQLPQR-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM CCCCNC(=O)c1ccc(Cl)cc1OCc1ccccc1-c1nnn[n-]1 ZINC000821071735 599389126 /nfs/dbraw/zinc/38/91/26/599389126.db2.gz KZGAGKFNOQMRPP-UHFFFAOYSA-N -1 3 385.855 3.629 20 0 GHADHM CCCCNC(=O)c1ccc(Cl)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000821071735 599389129 /nfs/dbraw/zinc/38/91/29/599389129.db2.gz KZGAGKFNOQMRPP-UHFFFAOYSA-N -1 3 385.855 3.629 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415129 607372129 /nfs/dbraw/zinc/37/21/29/607372129.db2.gz SEZGCQGXLDQWRI-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415129 607372131 /nfs/dbraw/zinc/37/21/31/607372131.db2.gz SEZGCQGXLDQWRI-WOJBJXKFSA-N -1 3 398.422 3.550 20 0 GHADHM CCCCOc1cccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077375 599409483 /nfs/dbraw/zinc/40/94/83/599409483.db2.gz CSCTXRCXGRGZEE-OAHLLOKOSA-N -1 3 394.479 3.606 20 0 GHADHM CCCCOc1cccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077375 599409485 /nfs/dbraw/zinc/40/94/85/599409485.db2.gz CSCTXRCXGRGZEE-OAHLLOKOSA-N -1 3 394.479 3.606 20 0 GHADHM C[C@H](NC(=O)NCCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367991 599430445 /nfs/dbraw/zinc/43/04/45/599430445.db2.gz WRQDBVHWQGIYKX-INIZCTEOSA-N -1 3 378.480 3.640 20 0 GHADHM C[C@H](NC(=O)NCCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367991 599430447 /nfs/dbraw/zinc/43/04/47/599430447.db2.gz WRQDBVHWQGIYKX-INIZCTEOSA-N -1 3 378.480 3.640 20 0 GHADHM Brc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000735368912 599430510 /nfs/dbraw/zinc/43/05/10/599430510.db2.gz PCCGIBDNTZAPKS-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000735368912 599430511 /nfs/dbraw/zinc/43/05/11/599430511.db2.gz PCCGIBDNTZAPKS-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Fc1ccc(-c2csc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)n2)cc1 ZINC000737654177 599460860 /nfs/dbraw/zinc/46/08/60/599460860.db2.gz YKJOREGCRVEPJO-VURMDHGXSA-N -1 3 389.419 3.947 20 0 GHADHM Fc1ccc(-c2csc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)n2)cc1 ZINC000737654177 599460864 /nfs/dbraw/zinc/46/08/64/599460864.db2.gz YKJOREGCRVEPJO-VURMDHGXSA-N -1 3 389.419 3.947 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824114322 607380486 /nfs/dbraw/zinc/38/04/86/607380486.db2.gz OHRMFEUZZGVGBL-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824114322 607380487 /nfs/dbraw/zinc/38/04/87/607380487.db2.gz OHRMFEUZZGVGBL-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM Fc1ccc2ccc(NCCSCc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000822786246 599466633 /nfs/dbraw/zinc/46/66/33/599466633.db2.gz GGAZBFOHFMRUFJ-UHFFFAOYSA-N -1 3 380.452 3.899 20 0 GHADHM Fc1ccc2ccc(NCCSCc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000822786246 599466635 /nfs/dbraw/zinc/46/66/35/599466635.db2.gz GGAZBFOHFMRUFJ-UHFFFAOYSA-N -1 3 380.452 3.899 20 0 GHADHM C[C@@H](NC(=O)NCCc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820364645 599474188 /nfs/dbraw/zinc/47/41/88/599474188.db2.gz CYGOJCNPKWSCTL-CYBMUJFWSA-N -1 3 392.488 3.684 20 0 GHADHM C[C@@H](NC(=O)NCCc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820364645 599474191 /nfs/dbraw/zinc/47/41/91/599474191.db2.gz CYGOJCNPKWSCTL-CYBMUJFWSA-N -1 3 392.488 3.684 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913655 599476773 /nfs/dbraw/zinc/47/67/73/599476773.db2.gz IOAUNLKBQLDZLH-UZLBHIALSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913655 599476775 /nfs/dbraw/zinc/47/67/75/599476775.db2.gz IOAUNLKBQLDZLH-UZLBHIALSA-N -1 3 392.507 3.899 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccccc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820360323 599476933 /nfs/dbraw/zinc/47/69/33/599476933.db2.gz YDTDRIOUNOCNHI-INIZCTEOSA-N -1 3 390.491 3.739 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccccc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820360323 599476936 /nfs/dbraw/zinc/47/69/36/599476936.db2.gz YDTDRIOUNOCNHI-INIZCTEOSA-N -1 3 390.491 3.739 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820668552 599477093 /nfs/dbraw/zinc/47/70/93/599477093.db2.gz URRQTBWCJGUVDW-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820668552 599477095 /nfs/dbraw/zinc/47/70/95/599477095.db2.gz URRQTBWCJGUVDW-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321160 599499224 /nfs/dbraw/zinc/49/92/24/599499224.db2.gz BUUJRYYTXOWRCY-CYBMUJFWSA-N -1 3 385.855 3.557 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321160 599499227 /nfs/dbraw/zinc/49/92/27/599499227.db2.gz BUUJRYYTXOWRCY-CYBMUJFWSA-N -1 3 385.855 3.557 20 0 GHADHM CN(C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)C1CC1 ZINC000736748860 599501471 /nfs/dbraw/zinc/50/14/71/599501471.db2.gz LONNLBPWKPCOIC-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM CN(C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)C1CC1 ZINC000736748860 599501474 /nfs/dbraw/zinc/50/14/74/599501474.db2.gz LONNLBPWKPCOIC-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)OCCCO2 ZINC000737628526 599525470 /nfs/dbraw/zinc/52/54/70/599525470.db2.gz WWUSZVRLNUQMKH-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM CC[C@H](c1ccncc1)N(C)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000736397413 599530078 /nfs/dbraw/zinc/53/00/78/599530078.db2.gz TXEIHJDVPJPEHZ-QGZVFWFLSA-N -1 3 398.474 3.959 20 0 GHADHM CC[C@H](c1ccncc1)N(C)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736397413 599530080 /nfs/dbraw/zinc/53/00/80/599530080.db2.gz TXEIHJDVPJPEHZ-QGZVFWFLSA-N -1 3 398.474 3.959 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737424817 599537490 /nfs/dbraw/zinc/53/74/90/599537490.db2.gz YFYLNZGTBLBZSV-CABCVRRESA-N -1 3 378.505 3.750 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737424817 599537492 /nfs/dbraw/zinc/53/74/92/599537492.db2.gz YFYLNZGTBLBZSV-CABCVRRESA-N -1 3 378.505 3.750 20 0 GHADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)n1 ZINC000822197869 599538952 /nfs/dbraw/zinc/53/89/52/599538952.db2.gz SHNBJBLTBOLFIU-AWEZNQCLSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1cc(C)n([C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)n1 ZINC000822197869 599538954 /nfs/dbraw/zinc/53/89/54/599538954.db2.gz SHNBJBLTBOLFIU-AWEZNQCLSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240914 599540671 /nfs/dbraw/zinc/54/06/71/599540671.db2.gz DOBUGALCDGLKTQ-HNNXBMFYSA-N -1 3 378.480 3.511 20 0 GHADHM Cc1ccc(N(C)C(C)C)c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240914 599540673 /nfs/dbraw/zinc/54/06/73/599540673.db2.gz DOBUGALCDGLKTQ-HNNXBMFYSA-N -1 3 378.480 3.511 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1cccs1 ZINC000735513474 599541139 /nfs/dbraw/zinc/54/11/39/599541139.db2.gz NMFHVMRHWZQXGP-NSHDSACASA-N -1 3 395.410 3.623 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1cccs1 ZINC000735513474 599541141 /nfs/dbraw/zinc/54/11/41/599541141.db2.gz NMFHVMRHWZQXGP-NSHDSACASA-N -1 3 395.410 3.623 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820386135 599541436 /nfs/dbraw/zinc/54/14/36/599541436.db2.gz WBTPGQQRBHPLLH-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820386135 599541438 /nfs/dbraw/zinc/54/14/38/599541438.db2.gz WBTPGQQRBHPLLH-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM Fc1ccc(NCC2(c3ccccc3Cl)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000822778473 599542676 /nfs/dbraw/zinc/54/26/76/599542676.db2.gz ILSBKRLPEJVDKX-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(NCC2(c3ccccc3Cl)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000822778473 599542678 /nfs/dbraw/zinc/54/26/78/599542678.db2.gz ILSBKRLPEJVDKX-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000823690804 599545655 /nfs/dbraw/zinc/54/56/55/599545655.db2.gz VBHGQSAHKLDXJG-ZDUSSCGKSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000823690804 599545656 /nfs/dbraw/zinc/54/56/56/599545656.db2.gz VBHGQSAHKLDXJG-ZDUSSCGKSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820683645 599547004 /nfs/dbraw/zinc/54/70/04/599547004.db2.gz FEOFHZDMJYRZGM-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820683645 599547005 /nfs/dbraw/zinc/54/70/05/599547005.db2.gz FEOFHZDMJYRZGM-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000823689338 599551109 /nfs/dbraw/zinc/55/11/09/599551109.db2.gz DZQRDOVJYXRQTJ-CYBMUJFWSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000823689338 599551111 /nfs/dbraw/zinc/55/11/11/599551111.db2.gz DZQRDOVJYXRQTJ-CYBMUJFWSA-N -1 3 384.654 3.972 20 0 GHADHM C[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)Sc1ccccc1 ZINC000820269263 599554187 /nfs/dbraw/zinc/55/41/87/599554187.db2.gz IKRXCLNTKXLMDV-CYBMUJFWSA-N -1 3 399.524 3.726 20 0 GHADHM C[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)Sc1ccccc1 ZINC000820269263 599554188 /nfs/dbraw/zinc/55/41/88/599554188.db2.gz IKRXCLNTKXLMDV-CYBMUJFWSA-N -1 3 399.524 3.726 20 0 GHADHM CN(C)[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821581793 599559895 /nfs/dbraw/zinc/55/98/95/599559895.db2.gz UZXCFXPESJIMOC-AWEZNQCLSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000821581793 599559896 /nfs/dbraw/zinc/55/98/96/599559896.db2.gz UZXCFXPESJIMOC-AWEZNQCLSA-N -1 3 378.814 3.513 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1Cl ZINC000821230168 599561288 /nfs/dbraw/zinc/56/12/88/599561288.db2.gz DKNRHVVKDZWPNA-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccccc1Cl ZINC000821230168 599561290 /nfs/dbraw/zinc/56/12/90/599561290.db2.gz DKNRHVVKDZWPNA-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM O=C(NCc1cccc(F)c1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738117547 599563912 /nfs/dbraw/zinc/56/39/12/599563912.db2.gz SFWSHOUYCHCTCP-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735747696 599566599 /nfs/dbraw/zinc/56/65/99/599566599.db2.gz GFEGLEIDRNKLKM-LJQANCHMSA-N -1 3 376.464 3.871 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000822744458 607384231 /nfs/dbraw/zinc/38/42/31/607384231.db2.gz UKECPRSEPSEESJ-SNVBAGLBSA-N -1 3 398.389 3.865 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](Cc4ccccc4)C3)c2c1 ZINC000822753268 599580823 /nfs/dbraw/zinc/58/08/23/599580823.db2.gz LBSSCUJYBIBBFV-AWEZNQCLSA-N -1 3 392.413 3.762 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](Cc4ccccc4)C3)c2c1 ZINC000822753268 599580825 /nfs/dbraw/zinc/58/08/25/599580825.db2.gz LBSSCUJYBIBBFV-AWEZNQCLSA-N -1 3 392.413 3.762 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422781 599601790 /nfs/dbraw/zinc/60/17/90/599601790.db2.gz RTKBKNOTSBUEAC-GPMSIDNRSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422781 599601792 /nfs/dbraw/zinc/60/17/92/599601792.db2.gz RTKBKNOTSBUEAC-GPMSIDNRSA-N -1 3 390.491 3.824 20 0 GHADHM O=C(COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000737911683 599608150 /nfs/dbraw/zinc/60/81/50/599608150.db2.gz UJYKOUCIILKHAV-UHFFFAOYSA-N -1 3 399.410 3.650 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737328646 599613280 /nfs/dbraw/zinc/61/32/80/599613280.db2.gz GPTAOIUARSOBGV-OXQOHEQNSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737328646 599613282 /nfs/dbraw/zinc/61/32/82/599613282.db2.gz GPTAOIUARSOBGV-OXQOHEQNSA-N -1 3 390.491 3.858 20 0 GHADHM CCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821431568 599634654 /nfs/dbraw/zinc/63/46/54/599634654.db2.gz VXZHUEBLFYGYFK-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821431568 599634655 /nfs/dbraw/zinc/63/46/55/599634655.db2.gz VXZHUEBLFYGYFK-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000820925747 599635517 /nfs/dbraw/zinc/63/55/17/599635517.db2.gz LIAJHPLGFFRCTC-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000820925747 599635518 /nfs/dbraw/zinc/63/55/18/599635518.db2.gz LIAJHPLGFFRCTC-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM c1ccc2c(c1)CCCCCN2Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823798841 599641956 /nfs/dbraw/zinc/64/19/56/599641956.db2.gz ZUCFZHCHWUPWTJ-UHFFFAOYSA-N -1 3 387.447 3.650 20 0 GHADHM c1ccc2c(c1)CCCCCN2Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823798841 599641957 /nfs/dbraw/zinc/64/19/57/599641957.db2.gz ZUCFZHCHWUPWTJ-UHFFFAOYSA-N -1 3 387.447 3.650 20 0 GHADHM CC[C@H](NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1nc(C(F)(F)F)cs1 ZINC000820925609 599647029 /nfs/dbraw/zinc/64/70/29/599647029.db2.gz KIBVIICRUVEENP-NSHDSACASA-N -1 3 398.414 3.592 20 0 GHADHM CC[C@H](NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1nc(C(F)(F)F)cs1 ZINC000820925609 599647030 /nfs/dbraw/zinc/64/70/30/599647030.db2.gz KIBVIICRUVEENP-NSHDSACASA-N -1 3 398.414 3.592 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820902783 599661346 /nfs/dbraw/zinc/66/13/46/599661346.db2.gz NOMMNZPQHDZYOA-CQSZACIVSA-N -1 3 396.451 3.566 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820902783 599661347 /nfs/dbraw/zinc/66/13/47/599661347.db2.gz NOMMNZPQHDZYOA-CQSZACIVSA-N -1 3 396.451 3.566 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820914931 599667986 /nfs/dbraw/zinc/66/79/86/599667986.db2.gz SFEFEJVRMQVYAO-FQEVSTJZSA-N -1 3 392.507 3.728 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820914931 599667987 /nfs/dbraw/zinc/66/79/87/599667987.db2.gz SFEFEJVRMQVYAO-FQEVSTJZSA-N -1 3 392.507 3.728 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356928 599674566 /nfs/dbraw/zinc/67/45/66/599674566.db2.gz CNMZAXRWHCRPGP-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356928 599674567 /nfs/dbraw/zinc/67/45/67/599674567.db2.gz CNMZAXRWHCRPGP-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820921536 599675930 /nfs/dbraw/zinc/67/59/30/599675930.db2.gz ZFLOSKHXMMOPLH-BEFAXECRSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820921536 599675931 /nfs/dbraw/zinc/67/59/31/599675931.db2.gz ZFLOSKHXMMOPLH-BEFAXECRSA-N -1 3 392.507 3.983 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)o1 ZINC000822234677 599678021 /nfs/dbraw/zinc/67/80/21/599678021.db2.gz DQAOMONSCSCRBC-HNNXBMFYSA-N -1 3 396.495 3.709 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)o1 ZINC000822234677 599678022 /nfs/dbraw/zinc/67/80/22/599678022.db2.gz DQAOMONSCSCRBC-HNNXBMFYSA-N -1 3 396.495 3.709 20 0 GHADHM FC(F)Oc1ccc(Cl)cc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822733372 599689434 /nfs/dbraw/zinc/68/94/34/599689434.db2.gz ZPFUDGCZFIUQGS-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM FC(F)Oc1ccc(Cl)cc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822733372 599689435 /nfs/dbraw/zinc/68/94/35/599689435.db2.gz ZPFUDGCZFIUQGS-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cccc4cnccc43)c2-c2nnn[n-]2)C1 ZINC000820733473 599689709 /nfs/dbraw/zinc/68/97/09/599689709.db2.gz GGCLKJWQLPLDKC-LLVKDONJSA-N -1 3 390.472 3.854 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cccc4cnccc43)c2-c2nn[n-]n2)C1 ZINC000820733473 599689710 /nfs/dbraw/zinc/68/97/10/599689710.db2.gz GGCLKJWQLPLDKC-LLVKDONJSA-N -1 3 390.472 3.854 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH]c2c1 ZINC000822275829 599689953 /nfs/dbraw/zinc/68/99/53/599689953.db2.gz YIKVSBHLWAGGGY-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1ccc2c(CCC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c[nH]c2c1 ZINC000822275829 599689954 /nfs/dbraw/zinc/68/99/54/599689954.db2.gz YIKVSBHLWAGGGY-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820966686 599692496 /nfs/dbraw/zinc/69/24/96/599692496.db2.gz GROGRCWLSSCZQO-CZUORRHYSA-N -1 3 393.451 3.706 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737370022 599714977 /nfs/dbraw/zinc/71/49/77/599714977.db2.gz OCSUDGJCWGHSMO-UHFFFAOYSA-N -1 3 392.406 3.650 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000826250951 607389065 /nfs/dbraw/zinc/38/90/65/607389065.db2.gz ALUMATRVZOCLCI-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000826250951 607389069 /nfs/dbraw/zinc/38/90/69/607389069.db2.gz ALUMATRVZOCLCI-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C(C)C)nc1 ZINC000821388932 607391751 /nfs/dbraw/zinc/39/17/51/607391751.db2.gz BELFINCNXQPPKY-UHFFFAOYSA-N -1 3 387.827 3.656 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C(C)C)nc1 ZINC000821388932 607391753 /nfs/dbraw/zinc/39/17/53/607391753.db2.gz BELFINCNXQPPKY-UHFFFAOYSA-N -1 3 387.827 3.656 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(C)C)nc1 ZINC000820087429 607393249 /nfs/dbraw/zinc/39/32/49/607393249.db2.gz RPGMOLJFBNUFEU-UHFFFAOYSA-N -1 3 378.480 3.684 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(C)C)nc1 ZINC000820087429 607393251 /nfs/dbraw/zinc/39/32/51/607393251.db2.gz RPGMOLJFBNUFEU-UHFFFAOYSA-N -1 3 378.480 3.684 20 0 GHADHM Cc1c(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000822107850 607405589 /nfs/dbraw/zinc/40/55/89/607405589.db2.gz FCBOFUYHAXWYNM-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1c(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000822107850 607405591 /nfs/dbraw/zinc/40/55/91/607405591.db2.gz FCBOFUYHAXWYNM-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000738769533 600019044 /nfs/dbraw/zinc/01/90/44/600019044.db2.gz CYHLSKBGDAQPNC-UHFFFAOYSA-N -1 3 381.476 3.741 20 0 GHADHM C[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000736662913 600046742 /nfs/dbraw/zinc/04/67/42/600046742.db2.gz UTKKGBSMHJCAIW-KSFYIVLOSA-N -1 3 388.467 3.529 20 0 GHADHM CC(C)[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824193576 607417068 /nfs/dbraw/zinc/41/70/68/607417068.db2.gz ZWEWNKZFFQCJGT-LJQANCHMSA-N -1 3 375.476 3.802 20 0 GHADHM CC(C)[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824193576 607417070 /nfs/dbraw/zinc/41/70/70/607417070.db2.gz ZWEWNKZFFQCJGT-LJQANCHMSA-N -1 3 375.476 3.802 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c(C(=O)[O-])c1 ZINC000736514554 600073854 /nfs/dbraw/zinc/07/38/54/600073854.db2.gz VYOJTRVCLQKDDM-SFHVURJKSA-N -1 3 381.476 3.754 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC(C)(C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820164364 607430761 /nfs/dbraw/zinc/43/07/61/607430761.db2.gz JEJKXSIHFMQGKE-UHFFFAOYSA-N -1 3 386.481 3.772 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC(C)(C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820164364 607430763 /nfs/dbraw/zinc/43/07/63/607430763.db2.gz JEJKXSIHFMQGKE-UHFFFAOYSA-N -1 3 386.481 3.772 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)CC2 ZINC000739532738 600298533 /nfs/dbraw/zinc/29/85/33/600298533.db2.gz PODIIOMPZGNFQK-LJQANCHMSA-N -1 3 376.541 3.667 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812872 607437095 /nfs/dbraw/zinc/43/70/95/607437095.db2.gz WMWMEUNXZDWLGX-ZIAGYGMSSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812872 607437097 /nfs/dbraw/zinc/43/70/97/607437097.db2.gz WMWMEUNXZDWLGX-ZIAGYGMSSA-N -1 3 388.258 3.940 20 0 GHADHM CCN(C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)[C@@H](C)c1cccnc1 ZINC000821154377 607433282 /nfs/dbraw/zinc/43/32/82/607433282.db2.gz NASIUVGIDWSGLP-AWEZNQCLSA-N -1 3 395.467 3.664 20 0 GHADHM CCN(C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)[C@@H](C)c1cccnc1 ZINC000821154377 607433283 /nfs/dbraw/zinc/43/32/83/607433283.db2.gz NASIUVGIDWSGLP-AWEZNQCLSA-N -1 3 395.467 3.664 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N2CCCC2)cc1 ZINC000738562382 600401265 /nfs/dbraw/zinc/40/12/65/600401265.db2.gz VDIKFVTVEHLPFS-IBGZPJMESA-N -1 3 385.439 3.791 20 0 GHADHM C[C@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1)N1CCCCCC1 ZINC000736199554 600407864 /nfs/dbraw/zinc/40/78/64/600407864.db2.gz JSWLRRBHHNVXDN-IAGOWNOFSA-N -1 3 399.491 3.727 20 0 GHADHM Cc1oc(CN(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1C(=O)[O-] ZINC000738966655 600566576 /nfs/dbraw/zinc/56/65/76/600566576.db2.gz ARDLGRBOHVUIPF-HXUWFJFHSA-N -1 3 399.491 3.655 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000738531757 600728680 /nfs/dbraw/zinc/72/86/80/600728680.db2.gz CASSTBUKZPUBTP-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736815305 600746636 /nfs/dbraw/zinc/74/66/36/600746636.db2.gz RKBSHTRTZYFUNF-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736814238 600746640 /nfs/dbraw/zinc/74/66/40/600746640.db2.gz JDHYTNLMXTZTTH-GOSISDBHSA-N -1 3 395.503 3.832 20 0 GHADHM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739639837 600909361 /nfs/dbraw/zinc/90/93/61/600909361.db2.gz COVXRRYZKNDDPX-QZTJIDSGSA-N -1 3 396.462 3.643 20 0 GHADHM CN([C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2cccnn2)C1 ZINC000830656012 601000298 /nfs/dbraw/zinc/00/02/98/601000298.db2.gz SFPCSFZSUUORQS-CXAGYDPISA-N -1 3 395.290 3.510 20 0 GHADHM Cc1ccc(NC(=O)Cc2nc(CNC3(C(=O)[O-])CCCCC3)cs2)cc1 ZINC000772824429 601007055 /nfs/dbraw/zinc/00/70/55/601007055.db2.gz KPOBUGRHEGGIHA-UHFFFAOYSA-N -1 3 387.505 3.510 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000832967617 601096484 /nfs/dbraw/zinc/09/64/84/601096484.db2.gz JWFSYFICQNZCKZ-UHFFFAOYSA-N -1 3 397.519 3.953 20 0 GHADHM Cc1ccc2cc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)ccc2n1 ZINC000822280843 607499464 /nfs/dbraw/zinc/49/94/64/607499464.db2.gz YZAYFJLEVIPIJM-UHFFFAOYSA-N -1 3 386.459 3.774 20 0 GHADHM Cc1ccc2cc(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)ccc2n1 ZINC000822280843 607499466 /nfs/dbraw/zinc/49/94/66/607499466.db2.gz YZAYFJLEVIPIJM-UHFFFAOYSA-N -1 3 386.459 3.774 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000830110023 601368989 /nfs/dbraw/zinc/36/89/89/601368989.db2.gz WWYCIQTWFXYGQN-FQEVSTJZSA-N -1 3 396.487 4.000 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccco1)Cc1cccs1 ZINC000821732843 607504234 /nfs/dbraw/zinc/50/42/34/607504234.db2.gz VOULKMQWAJEZAP-UHFFFAOYSA-N -1 3 381.461 3.732 20 0 GHADHM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(N2CCCC2)c1 ZINC000827727667 601500040 /nfs/dbraw/zinc/50/00/40/601500040.db2.gz KYPIXJCZJMESRX-KDOFPFPSSA-N -1 3 399.516 3.503 20 0 GHADHM CC[C@H](NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000828939202 601651784 /nfs/dbraw/zinc/65/17/84/601651784.db2.gz AASUGJDORDOUFH-WNYOCNMUSA-N -1 3 388.895 3.959 20 0 GHADHM CC(C)[C@H](NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000826693597 601652487 /nfs/dbraw/zinc/65/24/87/601652487.db2.gz IOZVPNYAQTYQLX-JHVJFLLYSA-N -1 3 386.467 3.691 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824371351 607520829 /nfs/dbraw/zinc/52/08/29/607520829.db2.gz BJEBGBPQVXIJBY-LJQANCHMSA-N -1 3 388.479 3.529 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824371351 607520831 /nfs/dbraw/zinc/52/08/31/607520831.db2.gz BJEBGBPQVXIJBY-LJQANCHMSA-N -1 3 388.479 3.529 20 0 GHADHM C[C@H](CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000824402571 607531772 /nfs/dbraw/zinc/53/17/72/607531772.db2.gz XEODCWRCSUMKOK-MRXNPFEDSA-N -1 3 375.476 3.942 20 0 GHADHM C[C@H](CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000824402571 607531773 /nfs/dbraw/zinc/53/17/73/607531773.db2.gz XEODCWRCSUMKOK-MRXNPFEDSA-N -1 3 375.476 3.942 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000738662865 601909543 /nfs/dbraw/zinc/90/95/43/601909543.db2.gz YBXFTZYBVGULAE-UHFFFAOYSA-N -1 3 381.476 3.557 20 0 GHADHM COc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1-c1nnn[n-]1 ZINC000826207524 607540265 /nfs/dbraw/zinc/54/02/65/607540265.db2.gz RPDSRJNIBVZGGK-UHFFFAOYSA-N -1 3 398.806 3.523 20 0 GHADHM COc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1-c1nn[n-]n1 ZINC000826207524 607540266 /nfs/dbraw/zinc/54/02/66/607540266.db2.gz RPDSRJNIBVZGGK-UHFFFAOYSA-N -1 3 398.806 3.523 20 0 GHADHM Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n1 ZINC000832995761 602040391 /nfs/dbraw/zinc/04/03/91/602040391.db2.gz JIDWNVLAOAFHGN-CXAGYDPISA-N -1 3 397.306 3.740 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826283981 607541975 /nfs/dbraw/zinc/54/19/75/607541975.db2.gz GSWNDQKQFKXZBU-GOSISDBHSA-N -1 3 395.417 3.812 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)Nc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826284373 607541989 /nfs/dbraw/zinc/54/19/89/607541989.db2.gz RUMYZVJEHJUXQV-LJQANCHMSA-N -1 3 377.427 3.673 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3NC(=O)[O-])cc2)CC1 ZINC000738852830 602172238 /nfs/dbraw/zinc/17/22/38/602172238.db2.gz BHZXPUKYWAGNJT-UHFFFAOYSA-N -1 3 382.464 3.559 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)N2CCCC2)cc1 ZINC000832921910 602389820 /nfs/dbraw/zinc/38/98/20/602389820.db2.gz BQFLFBUZADEZEU-IBGZPJMESA-N -1 3 385.439 3.791 20 0 GHADHM O=C([O-])Nc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000740712910 602431751 /nfs/dbraw/zinc/43/17/51/602431751.db2.gz ICXPPCZRULKYCM-UHFFFAOYSA-N -1 3 384.505 3.728 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000739059368 602464089 /nfs/dbraw/zinc/46/40/89/602464089.db2.gz OMZHRIDZOVOMCU-QMMLZNLJSA-N -1 3 395.503 3.727 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)N2CCCC2)cc1 ZINC000740119539 602508382 /nfs/dbraw/zinc/50/83/82/602508382.db2.gz WOIRSYQRPRGZKS-IBGZPJMESA-N -1 3 385.439 3.791 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1 ZINC000739608527 602606698 /nfs/dbraw/zinc/60/66/98/602606698.db2.gz SZUJYXSVHHOJEQ-GOSISDBHSA-N -1 3 382.464 3.542 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826454524 607578553 /nfs/dbraw/zinc/57/85/53/607578553.db2.gz ZTLMSKWYSAVVIG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826454524 607578555 /nfs/dbraw/zinc/57/85/55/607578555.db2.gz ZTLMSKWYSAVVIG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CCc1ncsc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825754948 607630764 /nfs/dbraw/zinc/63/07/64/607630764.db2.gz KYCXHRAYEWRLNF-UHFFFAOYSA-N -1 3 391.460 3.882 20 0 GHADHM C[C@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825115933 603790489 /nfs/dbraw/zinc/79/04/89/603790489.db2.gz VIWLQIOSHFOAKB-VMEOHVCESA-N -1 3 383.492 3.528 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3C)oc21 ZINC000825654319 607650747 /nfs/dbraw/zinc/65/07/47/607650747.db2.gz WYTCFKZJUKPASR-ZDUSSCGKSA-N -1 3 391.431 3.811 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3C)oc21 ZINC000825654319 607650749 /nfs/dbraw/zinc/65/07/49/607650749.db2.gz WYTCFKZJUKPASR-ZDUSSCGKSA-N -1 3 391.431 3.811 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367265 607669678 /nfs/dbraw/zinc/66/96/78/607669678.db2.gz MJLXARNQFPPJBD-KBRIMQKVSA-N -1 3 381.505 3.950 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367265 607669684 /nfs/dbraw/zinc/66/96/84/607669684.db2.gz MJLXARNQFPPJBD-KBRIMQKVSA-N -1 3 381.505 3.950 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826453500 607674461 /nfs/dbraw/zinc/67/44/61/607674461.db2.gz MVUFOZGSCGCYEW-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826453500 607674462 /nfs/dbraw/zinc/67/44/62/607674462.db2.gz MVUFOZGSCGCYEW-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000127985755 607692744 /nfs/dbraw/zinc/69/27/44/607692744.db2.gz RTAAMEBADUHKJG-UHFFFAOYSA-N -1 3 383.864 3.594 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000127985755 607692745 /nfs/dbraw/zinc/69/27/45/607692745.db2.gz RTAAMEBADUHKJG-UHFFFAOYSA-N -1 3 383.864 3.594 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826285072 607697050 /nfs/dbraw/zinc/69/70/50/607697050.db2.gz OVJXPBQHIWGWHO-PMACEKPBSA-N -1 3 375.476 3.892 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826285072 607697051 /nfs/dbraw/zinc/69/70/51/607697051.db2.gz OVJXPBQHIWGWHO-PMACEKPBSA-N -1 3 375.476 3.892 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454605 607703244 /nfs/dbraw/zinc/70/32/44/607703244.db2.gz CPQYXIAHZWVCPZ-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454605 607703245 /nfs/dbraw/zinc/70/32/45/607703245.db2.gz CPQYXIAHZWVCPZ-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM c1csc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cs2)c1 ZINC000826513157 607705038 /nfs/dbraw/zinc/70/50/38/607705038.db2.gz BOCADKROXKEMOW-UHFFFAOYSA-N -1 3 380.502 3.831 20 0 GHADHM C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833549541 604918651 /nfs/dbraw/zinc/91/86/51/604918651.db2.gz ZWZMVRRTBZIZBH-BEFAXECRSA-N -1 3 384.501 3.892 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833407867 604931977 /nfs/dbraw/zinc/93/19/77/604931977.db2.gz DHLREISVEQYDGD-GXTWGEPZSA-N -1 3 386.414 3.855 20 0 GHADHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)ccc1OCc1ccncc1 ZINC000831955352 604995243 /nfs/dbraw/zinc/99/52/43/604995243.db2.gz IBHNLCKDJNKPFC-QVKFZJNVSA-N -1 3 393.443 3.541 20 0 GHADHM CC(C)Cc1ccc([C@@H](N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000833491982 605011824 /nfs/dbraw/zinc/01/18/24/605011824.db2.gz DANCXSVTLSZQFY-IIBYNOLFSA-N -1 3 386.536 3.638 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393595 607733181 /nfs/dbraw/zinc/73/31/81/607733181.db2.gz TXTKEIUSPRDUOC-ZANVPECISA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833547454 605179469 /nfs/dbraw/zinc/17/94/69/605179469.db2.gz DKQDBOHQYPKYHN-YWZLYKJASA-N -1 3 386.467 3.787 20 0 GHADHM C[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(F)c(Br)c1 ZINC000833739100 605308030 /nfs/dbraw/zinc/30/80/30/605308030.db2.gz GROKUZUNHZUKLN-LLVKDONJSA-N -1 3 382.229 3.902 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1-c1nnn[n-]1 ZINC000825538741 607757859 /nfs/dbraw/zinc/75/78/59/607757859.db2.gz JPCBBHBJQRGDTK-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000825538741 607757860 /nfs/dbraw/zinc/75/78/60/607757860.db2.gz JPCBBHBJQRGDTK-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826267764 607767663 /nfs/dbraw/zinc/76/76/63/607767663.db2.gz VQPVQDIOJDFHDN-UHFFFAOYSA-N -1 3 377.235 3.804 20 0 GHADHM Cc1cc(Cl)c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826267764 607767664 /nfs/dbraw/zinc/76/76/64/607767664.db2.gz VQPVQDIOJDFHDN-UHFFFAOYSA-N -1 3 377.235 3.804 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc(F)c1 ZINC000824045936 607770233 /nfs/dbraw/zinc/77/02/33/607770233.db2.gz PNNGOCZEMZFYNQ-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc(F)c1 ZINC000824045936 607770234 /nfs/dbraw/zinc/77/02/34/607770234.db2.gz PNNGOCZEMZFYNQ-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000824365002 607770372 /nfs/dbraw/zinc/77/03/72/607770372.db2.gz YDGFSMSWHPJUMG-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000824365002 607770373 /nfs/dbraw/zinc/77/03/73/607770373.db2.gz YDGFSMSWHPJUMG-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824917331 607771928 /nfs/dbraw/zinc/77/19/28/607771928.db2.gz NOOJKAHSIKPALV-SCLBCKFNSA-N -1 3 379.489 3.714 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917331 607771929 /nfs/dbraw/zinc/77/19/29/607771929.db2.gz NOOJKAHSIKPALV-SCLBCKFNSA-N -1 3 379.489 3.714 20 0 GHADHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCCSCC(F)(F)F)c1ccccc1O2 ZINC000834085659 605856242 /nfs/dbraw/zinc/85/62/42/605856242.db2.gz MIZKLOYWDMAKIK-BBRMVZONSA-N -1 3 390.427 3.518 20 0 GHADHM CC[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820987732 606030455 /nfs/dbraw/zinc/03/04/55/606030455.db2.gz BEPWJOGJPAKVNV-GHTZIAJQSA-N -1 3 389.503 3.842 20 0 GHADHM CC[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820987732 606030459 /nfs/dbraw/zinc/03/04/59/606030459.db2.gz BEPWJOGJPAKVNV-GHTZIAJQSA-N -1 3 389.503 3.842 20 0 GHADHM c1ccc(C2(CNc3nc4ccccc4cc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000823772812 606044952 /nfs/dbraw/zinc/04/49/52/606044952.db2.gz OTEUTNLYEFXCPH-UHFFFAOYSA-N -1 3 386.459 3.575 20 0 GHADHM c1ccc(C2(CNc3nc4ccccc4cc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000823772812 606044957 /nfs/dbraw/zinc/04/49/57/606044957.db2.gz OTEUTNLYEFXCPH-UHFFFAOYSA-N -1 3 386.459 3.575 20 0 GHADHM C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819867043 606099743 /nfs/dbraw/zinc/09/97/43/606099743.db2.gz QJZHATRJYIMZDB-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819867043 606099747 /nfs/dbraw/zinc/09/97/47/606099747.db2.gz QJZHATRJYIMZDB-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C(C)(C)C1 ZINC000820744640 606114790 /nfs/dbraw/zinc/11/47/90/606114790.db2.gz ZEXSRXLNUCMSSR-ZDUSSCGKSA-N -1 3 393.451 3.706 20 0 GHADHM COc1csc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000821911496 606122617 /nfs/dbraw/zinc/12/26/17/606122617.db2.gz VCVROESUPFLGKO-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1csc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000821911496 606122618 /nfs/dbraw/zinc/12/26/18/606122618.db2.gz VCVROESUPFLGKO-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643254 606167246 /nfs/dbraw/zinc/16/72/46/606167246.db2.gz SNPIDGCIEGCBKO-GOEBONIOSA-N -1 3 378.505 3.517 20 0 GHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643254 606167247 /nfs/dbraw/zinc/16/72/47/606167247.db2.gz SNPIDGCIEGCBKO-GOEBONIOSA-N -1 3 378.505 3.517 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380158 606195325 /nfs/dbraw/zinc/19/53/25/606195325.db2.gz MFFPHUOTIWSCNJ-LLVKDONJSA-N -1 3 389.419 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380158 606195326 /nfs/dbraw/zinc/19/53/26/606195326.db2.gz MFFPHUOTIWSCNJ-LLVKDONJSA-N -1 3 389.419 3.768 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(c2ccc(O)cc2)CC1 ZINC000822331568 606213374 /nfs/dbraw/zinc/21/33/74/606213374.db2.gz HSAMZCLHGOTAJP-UHFFFAOYSA-N -1 3 386.459 3.813 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(c2ccc(O)cc2)CC1 ZINC000822331568 606213375 /nfs/dbraw/zinc/21/33/75/606213375.db2.gz HSAMZCLHGOTAJP-UHFFFAOYSA-N -1 3 386.459 3.813 20 0 GHADHM CC(C)C[C@H](C)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc2[nH]ccc2c1 ZINC000820057065 606241445 /nfs/dbraw/zinc/24/14/45/606241445.db2.gz WBAQVHKKSMPIBU-AWEZNQCLSA-N -1 3 391.479 3.768 20 0 GHADHM CC(C)C[C@H](C)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc2[nH]ccc2c1 ZINC000820057065 606241447 /nfs/dbraw/zinc/24/14/47/606241447.db2.gz WBAQVHKKSMPIBU-AWEZNQCLSA-N -1 3 391.479 3.768 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820643533 606249349 /nfs/dbraw/zinc/24/93/49/606249349.db2.gz WXRXBJSTBQHFNV-RHSMWYFYSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820643533 606249351 /nfs/dbraw/zinc/24/93/51/606249351.db2.gz WXRXBJSTBQHFNV-RHSMWYFYSA-N -1 3 393.495 3.833 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c2)n1 ZINC000822409773 606266673 /nfs/dbraw/zinc/26/66/73/606266673.db2.gz VEIJBFYYNMBENR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c2)n1 ZINC000822409773 606266675 /nfs/dbraw/zinc/26/66/75/606266675.db2.gz VEIJBFYYNMBENR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2ccccc2Cl)on1 ZINC000823343655 606272301 /nfs/dbraw/zinc/27/23/01/606272301.db2.gz CTECDLIQRJTSFE-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2ccccc2Cl)on1 ZINC000823343655 606272303 /nfs/dbraw/zinc/27/23/03/606272303.db2.gz CTECDLIQRJTSFE-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000821118698 606281186 /nfs/dbraw/zinc/28/11/86/606281186.db2.gz PMDATUYEAZIYMX-ZIAGYGMSSA-N -1 3 398.417 3.709 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C(C)C)nc1C ZINC000821127536 606283307 /nfs/dbraw/zinc/28/33/07/606283307.db2.gz HZGVAZXVOOJFAI-UHFFFAOYSA-N -1 3 385.497 3.829 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641064 606298441 /nfs/dbraw/zinc/29/84/41/606298441.db2.gz VNBUZJUHWOSSQU-VLIAUNLRSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641064 606298442 /nfs/dbraw/zinc/29/84/42/606298442.db2.gz VNBUZJUHWOSSQU-VLIAUNLRSA-N -1 3 387.443 3.585 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820870708 606300237 /nfs/dbraw/zinc/30/02/37/606300237.db2.gz XSSKKWGMPCIOMH-CQSZACIVSA-N -1 3 383.452 3.547 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820870708 606300238 /nfs/dbraw/zinc/30/02/38/606300238.db2.gz XSSKKWGMPCIOMH-CQSZACIVSA-N -1 3 383.452 3.547 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nnn[n-]3)cs2)nc2ccc(Cl)cc12 ZINC000823657851 606305042 /nfs/dbraw/zinc/30/50/42/606305042.db2.gz VYSOWJBOOWSCJJ-WZUFQYTHSA-N -1 3 391.243 3.555 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nn[n-]n3)cs2)nc2ccc(Cl)cc12 ZINC000823657851 606305044 /nfs/dbraw/zinc/30/50/44/606305044.db2.gz VYSOWJBOOWSCJJ-WZUFQYTHSA-N -1 3 391.243 3.555 20 0 GHADHM O=C1[C@@H](SCc2ccc(Cl)cc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513083 606311809 /nfs/dbraw/zinc/31/18/09/606311809.db2.gz SMLVLQLTYQUXFC-ZDUSSCGKSA-N -1 3 391.909 3.620 20 0 GHADHM O=C1[C@@H](SCc2ccc(Cl)cc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513083 606311810 /nfs/dbraw/zinc/31/18/10/606311810.db2.gz SMLVLQLTYQUXFC-ZDUSSCGKSA-N -1 3 391.909 3.620 20 0 GHADHM COc1cc(CS[C@@H](C)C(C)=O)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821717788 606312915 /nfs/dbraw/zinc/31/29/15/606312915.db2.gz YPCFCBPQJCUBAS-AWEZNQCLSA-N -1 3 398.488 3.665 20 0 GHADHM COc1cc(CS[C@@H](C)C(C)=O)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821717788 606312916 /nfs/dbraw/zinc/31/29/16/606312916.db2.gz YPCFCBPQJCUBAS-AWEZNQCLSA-N -1 3 398.488 3.665 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820563455 606316012 /nfs/dbraw/zinc/31/60/12/606316012.db2.gz QXVRILMUCSDYPR-SNVBAGLBSA-N -1 3 390.369 3.579 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820563455 606316013 /nfs/dbraw/zinc/31/60/13/606316013.db2.gz QXVRILMUCSDYPR-SNVBAGLBSA-N -1 3 390.369 3.579 20 0 GHADHM CC(C)(NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000819988025 606322265 /nfs/dbraw/zinc/32/22/65/606322265.db2.gz QMQCUXRUQNRKPD-UHFFFAOYSA-N -1 3 379.489 3.936 20 0 GHADHM CC(C)(NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000819988025 606322267 /nfs/dbraw/zinc/32/22/67/606322267.db2.gz QMQCUXRUQNRKPD-UHFFFAOYSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820520102 606344580 /nfs/dbraw/zinc/34/45/80/606344580.db2.gz YSKDJLRLHVJNHG-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820520102 606344582 /nfs/dbraw/zinc/34/45/82/606344582.db2.gz YSKDJLRLHVJNHG-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496017 606350431 /nfs/dbraw/zinc/35/04/31/606350431.db2.gz LANAPNYLJPODRB-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496017 606350432 /nfs/dbraw/zinc/35/04/32/606350432.db2.gz LANAPNYLJPODRB-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822274939 606350632 /nfs/dbraw/zinc/35/06/32/606350632.db2.gz LYPMLXBJGYAASI-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822274939 606350634 /nfs/dbraw/zinc/35/06/34/606350634.db2.gz LYPMLXBJGYAASI-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000820380475 606356792 /nfs/dbraw/zinc/35/67/92/606356792.db2.gz UKUFTHKEXLPBER-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000820380475 606356794 /nfs/dbraw/zinc/35/67/94/606356794.db2.gz UKUFTHKEXLPBER-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822534814 606356967 /nfs/dbraw/zinc/35/69/67/606356967.db2.gz AGSFOQXVVDONHM-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822534814 606356969 /nfs/dbraw/zinc/35/69/69/606356969.db2.gz AGSFOQXVVDONHM-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccncc1Cl ZINC000823454063 606362319 /nfs/dbraw/zinc/36/23/19/606362319.db2.gz KRQGUOOQYWHXKW-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(-c2ccccc2Cl)on1 ZINC000823413155 606374332 /nfs/dbraw/zinc/37/43/32/606374332.db2.gz BJEVWJOVHZFUAM-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(-c2ccccc2Cl)on1 ZINC000823413155 606374334 /nfs/dbraw/zinc/37/43/34/606374334.db2.gz BJEVWJOVHZFUAM-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454880 606380525 /nfs/dbraw/zinc/38/05/25/606380525.db2.gz HLTLRSWMXQMDHY-CMPLNLGQSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454880 606380527 /nfs/dbraw/zinc/38/05/27/606380527.db2.gz HLTLRSWMXQMDHY-CMPLNLGQSA-N -1 3 380.905 3.706 20 0 GHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820461614 606419016 /nfs/dbraw/zinc/41/90/16/606419016.db2.gz NVXHEMQZASVZEV-FUXBKTLASA-N -1 3 399.669 3.756 20 0 GHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820461614 606419018 /nfs/dbraw/zinc/41/90/18/606419018.db2.gz NVXHEMQZASVZEV-FUXBKTLASA-N -1 3 399.669 3.756 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820743270 606429915 /nfs/dbraw/zinc/42/99/15/606429915.db2.gz SJSIJUAMPKQYHE-HUUCEWRRSA-N -1 3 393.516 3.887 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820743270 606429916 /nfs/dbraw/zinc/42/99/16/606429916.db2.gz SJSIJUAMPKQYHE-HUUCEWRRSA-N -1 3 393.516 3.887 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822304395 606436139 /nfs/dbraw/zinc/43/61/39/606436139.db2.gz WXOLMQQSFJIPME-UHFFFAOYSA-N -1 3 399.458 3.804 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822304395 606436141 /nfs/dbraw/zinc/43/61/41/606436141.db2.gz WXOLMQQSFJIPME-UHFFFAOYSA-N -1 3 399.458 3.804 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819946439 606460119 /nfs/dbraw/zinc/46/01/19/606460119.db2.gz KKEPWCBEICZTFC-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819946439 606460120 /nfs/dbraw/zinc/46/01/20/606460120.db2.gz KKEPWCBEICZTFC-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM c1sc(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000823791353 606471108 /nfs/dbraw/zinc/47/11/08/606471108.db2.gz CJDDYCTYNIZZLU-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM c1sc(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000823791353 606471110 /nfs/dbraw/zinc/47/11/10/606471110.db2.gz CJDDYCTYNIZZLU-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)cs2)nc1-c1ccc(C)cc1 ZINC000822213989 606480941 /nfs/dbraw/zinc/48/09/41/606480941.db2.gz KJNOHOCZLPOEME-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)cs2)nc1-c1ccc(C)cc1 ZINC000822213989 606480942 /nfs/dbraw/zinc/48/09/42/606480942.db2.gz KJNOHOCZLPOEME-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823161702 606485839 /nfs/dbraw/zinc/48/58/39/606485839.db2.gz POGPTVUTPYFGOB-NSHDSACASA-N -1 3 377.882 3.549 20 0 GHADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823161702 606485841 /nfs/dbraw/zinc/48/58/41/606485841.db2.gz POGPTVUTPYFGOB-NSHDSACASA-N -1 3 377.882 3.549 20 0 GHADHM C[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820395965 606490202 /nfs/dbraw/zinc/49/02/02/606490202.db2.gz AMJIZJIGZOHIOZ-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820395965 606490204 /nfs/dbraw/zinc/49/02/04/606490204.db2.gz AMJIZJIGZOHIOZ-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820938049 606503622 /nfs/dbraw/zinc/50/36/22/606503622.db2.gz HEIOGGSAQDGMTR-FQEVSTJZSA-N -1 3 391.475 3.524 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820938049 606503623 /nfs/dbraw/zinc/50/36/23/606503623.db2.gz HEIOGGSAQDGMTR-FQEVSTJZSA-N -1 3 391.475 3.524 20 0 GHADHM CCC1(NC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000820967611 606529180 /nfs/dbraw/zinc/52/91/80/606529180.db2.gz QUOQWZYUTBUOCZ-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CCC1(NC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000820967611 606529181 /nfs/dbraw/zinc/52/91/81/606529181.db2.gz QUOQWZYUTBUOCZ-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C(F)(F)C(F)F ZINC000822211751 606533429 /nfs/dbraw/zinc/53/34/29/606533429.db2.gz NFEKVMHBOTVDCL-UHFFFAOYSA-N -1 3 395.316 3.806 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C(F)(F)C(F)F ZINC000822211751 606533431 /nfs/dbraw/zinc/53/34/31/606533431.db2.gz NFEKVMHBOTVDCL-UHFFFAOYSA-N -1 3 395.316 3.806 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823066342 606535489 /nfs/dbraw/zinc/53/54/89/606535489.db2.gz VLXXPZDGERMYFY-SFHVURJKSA-N -1 3 397.479 3.852 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823066342 606535491 /nfs/dbraw/zinc/53/54/91/606535491.db2.gz VLXXPZDGERMYFY-SFHVURJKSA-N -1 3 397.479 3.852 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000820543564 606548089 /nfs/dbraw/zinc/54/80/89/606548089.db2.gz ZLAUSIXDLQATGT-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000820543564 606548090 /nfs/dbraw/zinc/54/80/90/606548090.db2.gz ZLAUSIXDLQATGT-CQSZACIVSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C)s1 ZINC000822213983 606550739 /nfs/dbraw/zinc/55/07/39/606550739.db2.gz KGADELKSMHROKH-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2C)s1 ZINC000822213983 606550741 /nfs/dbraw/zinc/55/07/41/606550741.db2.gz KGADELKSMHROKH-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc2ccc(Cl)cc2n1 ZINC000823426215 606561933 /nfs/dbraw/zinc/56/19/33/606561933.db2.gz DHBHAHBRULIBCB-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC000823426215 606561935 /nfs/dbraw/zinc/56/19/35/606561935.db2.gz DHBHAHBRULIBCB-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000823104131 606565623 /nfs/dbraw/zinc/56/56/23/606565623.db2.gz RZKVDAQRSLPZMV-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000823104131 606565624 /nfs/dbraw/zinc/56/56/24/606565624.db2.gz RZKVDAQRSLPZMV-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440234 606569592 /nfs/dbraw/zinc/56/95/92/606569592.db2.gz IZAHGNJSWILCKQ-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440234 606569593 /nfs/dbraw/zinc/56/95/93/606569593.db2.gz IZAHGNJSWILCKQ-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM CCC1(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCC1 ZINC000820966350 606573230 /nfs/dbraw/zinc/57/32/30/606573230.db2.gz CJIFSOORWDEKRL-UHFFFAOYSA-N -1 3 379.424 3.508 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664977 606574067 /nfs/dbraw/zinc/57/40/67/606574067.db2.gz DADWLTYQFHTOEU-LLSQANQASA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664977 606574069 /nfs/dbraw/zinc/57/40/69/606574069.db2.gz DADWLTYQFHTOEU-LLSQANQASA-N -1 3 381.867 3.576 20 0 GHADHM CCCCCC[C@@H](C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821048669 606592492 /nfs/dbraw/zinc/59/24/92/606592492.db2.gz FHXRDAWLFCAFPS-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCCC[C@@H](C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821048669 606592494 /nfs/dbraw/zinc/59/24/94/606592494.db2.gz FHXRDAWLFCAFPS-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM COCCN(C(=O)c1cc2cccc(Cl)c2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688905 606603660 /nfs/dbraw/zinc/60/36/60/606603660.db2.gz BUDVSUXAMNFOOP-UHFFFAOYSA-N -1 3 397.822 3.560 20 0 GHADHM COCCN(C(=O)c1cc2cccc(Cl)c2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688905 606603662 /nfs/dbraw/zinc/60/36/62/606603662.db2.gz BUDVSUXAMNFOOP-UHFFFAOYSA-N -1 3 397.822 3.560 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cnccc1-c1cccc(F)c1 ZINC000822936044 606606504 /nfs/dbraw/zinc/60/65/04/606606504.db2.gz ROXZUSSNHDVVMW-CMDGGOBGSA-N -1 3 386.390 3.720 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cnccc1-c1cccc(F)c1 ZINC000822936044 606606506 /nfs/dbraw/zinc/60/65/06/606606506.db2.gz ROXZUSSNHDVVMW-CMDGGOBGSA-N -1 3 386.390 3.720 20 0 GHADHM CC(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)=C1CCCC1 ZINC000819865752 606618378 /nfs/dbraw/zinc/61/83/78/606618378.db2.gz HBQGFJZJWFRNBU-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM CC(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)=C1CCCC1 ZINC000819865752 606618379 /nfs/dbraw/zinc/61/83/79/606618379.db2.gz HBQGFJZJWFRNBU-UHFFFAOYSA-N -1 3 376.420 3.883 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC000821413310 606627611 /nfs/dbraw/zinc/62/76/11/606627611.db2.gz ZXZUZRMCQQTZCJ-ZDUSSCGKSA-N -1 3 381.436 3.695 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC000821413310 606627614 /nfs/dbraw/zinc/62/76/14/606627614.db2.gz ZXZUZRMCQQTZCJ-ZDUSSCGKSA-N -1 3 381.436 3.695 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000820549502 606628076 /nfs/dbraw/zinc/62/80/76/606628076.db2.gz NWNIOZKLYYUKBR-UHIISALHSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000820549502 606628077 /nfs/dbraw/zinc/62/80/77/606628077.db2.gz NWNIOZKLYYUKBR-UHIISALHSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820549509 606628363 /nfs/dbraw/zinc/62/83/63/606628363.db2.gz OBYDITKALJSOMS-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820549509 606628365 /nfs/dbraw/zinc/62/83/65/606628365.db2.gz OBYDITKALJSOMS-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM CCN(CC(=O)c1cc(C)n(C2CC2)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821169849 606646836 /nfs/dbraw/zinc/64/68/36/606646836.db2.gz GQTCBNNHLNCJAI-OAHLLOKOSA-N -1 3 392.507 3.886 20 0 GHADHM Fc1cc(NCc2noc(C3CC3)n2)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822753222 606656912 /nfs/dbraw/zinc/65/69/12/606656912.db2.gz JKBRKQTUOSZEFN-UHFFFAOYSA-N -1 3 393.382 3.671 20 0 GHADHM Fc1cc(NCc2noc(C3CC3)n2)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822753222 606656913 /nfs/dbraw/zinc/65/69/13/606656913.db2.gz JKBRKQTUOSZEFN-UHFFFAOYSA-N -1 3 393.382 3.671 20 0 GHADHM Cc1csc(N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccc2)n1 ZINC000822414904 606664540 /nfs/dbraw/zinc/66/45/40/606664540.db2.gz ZVHLMUWIUITYIV-UHFFFAOYSA-N -1 3 398.398 3.888 20 0 GHADHM Cc1csc(N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccc2)n1 ZINC000822414904 606664541 /nfs/dbraw/zinc/66/45/41/606664541.db2.gz ZVHLMUWIUITYIV-UHFFFAOYSA-N -1 3 398.398 3.888 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823257632 606666549 /nfs/dbraw/zinc/66/65/49/606666549.db2.gz QTZDVTSMPAXLBG-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823257632 606666550 /nfs/dbraw/zinc/66/65/50/606666550.db2.gz QTZDVTSMPAXLBG-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(Nc1ccc(Cl)c2cccnc12)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823331196 606668826 /nfs/dbraw/zinc/66/88/26/606668826.db2.gz CFDROFUCGBZIGF-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM O=C(Nc1ccc(Cl)c2cccnc12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823331196 606668827 /nfs/dbraw/zinc/66/88/27/606668827.db2.gz CFDROFUCGBZIGF-UHFFFAOYSA-N -1 3 386.749 3.599 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)o1 ZINC000820678268 606671692 /nfs/dbraw/zinc/67/16/92/606671692.db2.gz UOYALVLXKHPSCV-HZMBPMFUSA-N -1 3 399.401 3.666 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)o1 ZINC000820678268 606671693 /nfs/dbraw/zinc/67/16/93/606671693.db2.gz UOYALVLXKHPSCV-HZMBPMFUSA-N -1 3 399.401 3.666 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1csc2ccccc21 ZINC000820384771 606678033 /nfs/dbraw/zinc/67/80/33/606678033.db2.gz LLHHUGKBSIAQSN-VIFPVBQESA-N -1 3 385.399 3.851 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1csc2ccccc21 ZINC000820384771 606678034 /nfs/dbraw/zinc/67/80/34/606678034.db2.gz LLHHUGKBSIAQSN-VIFPVBQESA-N -1 3 385.399 3.851 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820293254 606683986 /nfs/dbraw/zinc/68/39/86/606683986.db2.gz JQXJOCJWZNQMBS-STQMWFEESA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820293254 606683987 /nfs/dbraw/zinc/68/39/87/606683987.db2.gz JQXJOCJWZNQMBS-STQMWFEESA-N -1 3 385.468 3.611 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822230595 606684618 /nfs/dbraw/zinc/68/46/18/606684618.db2.gz KXXPINMNHYWWMA-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822230595 606684619 /nfs/dbraw/zinc/68/46/19/606684619.db2.gz KXXPINMNHYWWMA-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823331165 606692434 /nfs/dbraw/zinc/69/24/34/606692434.db2.gz BFPFIFUJFPKLRV-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823331165 606692435 /nfs/dbraw/zinc/69/24/35/606692435.db2.gz BFPFIFUJFPKLRV-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM CCOc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000821421763 606699581 /nfs/dbraw/zinc/69/95/81/606699581.db2.gz FBSVBIVTVADRAB-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1Cl ZINC000821421763 606699584 /nfs/dbraw/zinc/69/95/84/606699584.db2.gz FBSVBIVTVADRAB-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM Cc1cc(C)cc(CS[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822196628 606706998 /nfs/dbraw/zinc/70/69/98/606706998.db2.gz QODKZCKTOZBRMB-HNNXBMFYSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1cc(C)cc(CS[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822196628 606707000 /nfs/dbraw/zinc/70/70/00/606707000.db2.gz QODKZCKTOZBRMB-HNNXBMFYSA-N -1 3 385.518 3.584 20 0 GHADHM Cn1c(Cl)cnc1CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822596190 606707939 /nfs/dbraw/zinc/70/79/39/606707939.db2.gz ISGOBGWZQWKPPC-UHFFFAOYSA-N -1 3 399.817 3.797 20 0 GHADHM Cn1c(Cl)cnc1CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822596190 606707941 /nfs/dbraw/zinc/70/79/41/606707941.db2.gz ISGOBGWZQWKPPC-UHFFFAOYSA-N -1 3 399.817 3.797 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c(OC[C@@H]2CCOC2)c1 ZINC000822238332 606726499 /nfs/dbraw/zinc/72/64/99/606726499.db2.gz CNHNAGMNJLOKJM-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c(OC[C@@H]2CCOC2)c1 ZINC000822238332 606726500 /nfs/dbraw/zinc/72/65/00/606726500.db2.gz CNHNAGMNJLOKJM-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM CCCOc1ccc(CNCc2ccc(-c3nnn[n-]3)s2)c(OC(F)F)c1 ZINC000821134417 606740552 /nfs/dbraw/zinc/74/05/52/606740552.db2.gz TXOYWXGKZXDFIQ-UHFFFAOYSA-N -1 3 395.435 3.608 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCc2cc(-c3ccccc3)ccc21 ZINC000823478547 606746747 /nfs/dbraw/zinc/74/67/47/606746747.db2.gz LLLNBRQTOPSUGB-UHFFFAOYSA-N -1 3 382.427 3.522 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCc2cc(-c3ccccc3)ccc21 ZINC000823478547 606746749 /nfs/dbraw/zinc/74/67/49/606746749.db2.gz LLLNBRQTOPSUGB-UHFFFAOYSA-N -1 3 382.427 3.522 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820293573 606761211 /nfs/dbraw/zinc/76/12/11/606761211.db2.gz MVEAEIUFIPEVLZ-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820293573 606761213 /nfs/dbraw/zinc/76/12/13/606761213.db2.gz MVEAEIUFIPEVLZ-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM COc1ccc(-c2cnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)cc1 ZINC000821732384 606780827 /nfs/dbraw/zinc/78/08/27/606780827.db2.gz NLIGFZTVKZMMIC-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1ccc(-c2cnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)cc1 ZINC000821732384 606780829 /nfs/dbraw/zinc/78/08/29/606780829.db2.gz NLIGFZTVKZMMIC-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM O=C(CC1CCSCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822945796 606795770 /nfs/dbraw/zinc/79/57/70/606795770.db2.gz RDZYDLWSMYLICN-UHFFFAOYSA-N -1 3 396.476 3.526 20 0 GHADHM CC(C)CN(CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820081862 606796156 /nfs/dbraw/zinc/79/61/56/606796156.db2.gz YVZHHRNIOHFLKC-UHFFFAOYSA-N -1 3 390.900 3.683 20 0 GHADHM CC(C)CN(CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820081862 606796158 /nfs/dbraw/zinc/79/61/58/606796158.db2.gz YVZHHRNIOHFLKC-UHFFFAOYSA-N -1 3 390.900 3.683 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000822239781 606809767 /nfs/dbraw/zinc/80/97/67/606809767.db2.gz DMZRUMOFPCWGEJ-QGZVFWFLSA-N -1 3 385.855 3.871 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000822239781 606809768 /nfs/dbraw/zinc/80/97/68/606809768.db2.gz DMZRUMOFPCWGEJ-QGZVFWFLSA-N -1 3 385.855 3.871 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(-c2nnn[n-]2)c1C ZINC000822562677 606810110 /nfs/dbraw/zinc/81/01/10/606810110.db2.gz CZJYCXUKLAKNAF-UHFFFAOYSA-N -1 3 384.396 3.591 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(-c2nn[n-]n2)c1C ZINC000822562677 606810111 /nfs/dbraw/zinc/81/01/11/606810111.db2.gz CZJYCXUKLAKNAF-UHFFFAOYSA-N -1 3 384.396 3.591 20 0 GHADHM O=C(NC[C@@H]1CCCS1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823176696 606812190 /nfs/dbraw/zinc/81/21/90/606812190.db2.gz WUCWUIQGVCXFKQ-ZDUSSCGKSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(NC[C@@H]1CCCS1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823176696 606812192 /nfs/dbraw/zinc/81/21/92/606812192.db2.gz WUCWUIQGVCXFKQ-ZDUSSCGKSA-N -1 3 397.529 3.643 20 0 GHADHM Cc1cccn2cc(CSCCCOc3cccc(-c4nnn[n-]4)c3)nc12 ZINC000822366619 606841343 /nfs/dbraw/zinc/84/13/43/606841343.db2.gz PQTAJGKYUHELOQ-UHFFFAOYSA-N -1 3 380.477 3.525 20 0 GHADHM Cc1cccn2cc(CSCCCOc3cccc(-c4nn[n-]n4)c3)nc12 ZINC000822366619 606841345 /nfs/dbraw/zinc/84/13/45/606841345.db2.gz PQTAJGKYUHELOQ-UHFFFAOYSA-N -1 3 380.477 3.525 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000820550808 606850913 /nfs/dbraw/zinc/85/09/13/606850913.db2.gz ZBDWDPXSHXAUAR-UHIISALHSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000820550808 606850915 /nfs/dbraw/zinc/85/09/15/606850915.db2.gz ZBDWDPXSHXAUAR-UHIISALHSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820548553 606851113 /nfs/dbraw/zinc/85/11/13/606851113.db2.gz CAVGAAZQBFIKRH-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820548553 606851115 /nfs/dbraw/zinc/85/11/15/606851115.db2.gz CAVGAAZQBFIKRH-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823066241 606852027 /nfs/dbraw/zinc/85/20/27/606852027.db2.gz RKTJJQZIUDQNMN-WFASDCNBSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000823066241 606852029 /nfs/dbraw/zinc/85/20/29/606852029.db2.gz RKTJJQZIUDQNMN-WFASDCNBSA-N -1 3 391.928 3.793 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cncc(-c2ccccc2)c1 ZINC000821394583 606859956 /nfs/dbraw/zinc/85/99/56/606859956.db2.gz MEPCAHXFXBEJDP-UHFFFAOYSA-N -1 3 387.399 3.547 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cncc(-c2ccccc2)c1 ZINC000821394583 606859958 /nfs/dbraw/zinc/85/99/58/606859958.db2.gz MEPCAHXFXBEJDP-UHFFFAOYSA-N -1 3 387.399 3.547 20 0 GHADHM Cc1cc(Cl)cc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822201046 606874129 /nfs/dbraw/zinc/87/41/29/606874129.db2.gz OFFYWAKNWIHXQG-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM FC(F)(F)[C@@H](NCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822714972 606922257 /nfs/dbraw/zinc/92/22/57/606922257.db2.gz YDCVIZPQSJZEKU-INIZCTEOSA-N -1 3 377.370 3.529 20 0 GHADHM FC(F)(F)[C@@H](NCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822714972 606922259 /nfs/dbraw/zinc/92/22/59/606922259.db2.gz YDCVIZPQSJZEKU-INIZCTEOSA-N -1 3 377.370 3.529 20 0 GHADHM Cc1ccc(N(Cc2cccs2)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822241256 606924947 /nfs/dbraw/zinc/92/49/47/606924947.db2.gz PQNVMVLZJNZYMA-FQEVSTJZSA-N -1 3 391.500 3.977 20 0 GHADHM Cc1ccc(N(Cc2cccs2)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822241256 606924950 /nfs/dbraw/zinc/92/49/50/606924950.db2.gz PQNVMVLZJNZYMA-FQEVSTJZSA-N -1 3 391.500 3.977 20 0 GHADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823400292 606947887 /nfs/dbraw/zinc/94/78/87/606947887.db2.gz ATAHLRFLLGNYML-UONOGXRCSA-N -1 3 398.385 3.548 20 0 GHADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823400292 606947889 /nfs/dbraw/zinc/94/78/89/606947889.db2.gz ATAHLRFLLGNYML-UONOGXRCSA-N -1 3 398.385 3.548 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@H](c4ccsc4)C3)c2c1 ZINC000822581732 606949668 /nfs/dbraw/zinc/94/96/68/606949668.db2.gz MOTVPOXUGKODAV-INIZCTEOSA-N -1 3 398.879 3.708 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@H](c4ccsc4)C3)c2c1 ZINC000822581732 606949670 /nfs/dbraw/zinc/94/96/70/606949670.db2.gz MOTVPOXUGKODAV-INIZCTEOSA-N -1 3 398.879 3.708 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349792 606951760 /nfs/dbraw/zinc/95/17/60/606951760.db2.gz IISXIDPXGLCMIK-YWZLYKJASA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349792 606951762 /nfs/dbraw/zinc/95/17/62/606951762.db2.gz IISXIDPXGLCMIK-YWZLYKJASA-N -1 3 390.491 3.893 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000820875994 606960281 /nfs/dbraw/zinc/96/02/81/606960281.db2.gz JTQLIXBOETUWRP-LBPRGKRZSA-N -1 3 385.855 3.974 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000820875994 606960284 /nfs/dbraw/zinc/96/02/84/606960284.db2.gz JTQLIXBOETUWRP-LBPRGKRZSA-N -1 3 385.855 3.974 20 0 GHADHM CN(C(=O)c1cc(Br)cs1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573301 606960968 /nfs/dbraw/zinc/96/09/68/606960968.db2.gz JWETUQFHLPVKSW-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1cc(Br)cs1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573301 606960971 /nfs/dbraw/zinc/96/09/71/606960971.db2.gz JWETUQFHLPVKSW-UHFFFAOYSA-N -1 3 398.673 3.621 20 0 GHADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574780 606963314 /nfs/dbraw/zinc/96/33/14/606963314.db2.gz WSNIVRAVMUVGDP-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cncc(-c2ccccc2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574780 606963315 /nfs/dbraw/zinc/96/33/15/606963315.db2.gz WSNIVRAVMUVGDP-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1C ZINC000822021086 606990622 /nfs/dbraw/zinc/99/06/22/606990622.db2.gz UWYRIONZXHTUFU-UHFFFAOYSA-N -1 3 384.505 3.524 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1C ZINC000822021086 606990623 /nfs/dbraw/zinc/99/06/23/606990623.db2.gz UWYRIONZXHTUFU-UHFFFAOYSA-N -1 3 384.505 3.524 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1csc2ccccc12 ZINC000820001035 606997643 /nfs/dbraw/zinc/99/76/43/606997643.db2.gz BODJAYKEMGSDNQ-UHFFFAOYSA-N -1 3 393.472 3.555 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1csc2ccccc12 ZINC000820001035 606997644 /nfs/dbraw/zinc/99/76/44/606997644.db2.gz BODJAYKEMGSDNQ-UHFFFAOYSA-N -1 3 393.472 3.555 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2ccccc21 ZINC000820032403 607011799 /nfs/dbraw/zinc/01/17/99/607011799.db2.gz NKWGKPCOZGOXTF-SFHVURJKSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2ccccc21 ZINC000820032403 607011800 /nfs/dbraw/zinc/01/18/00/607011800.db2.gz NKWGKPCOZGOXTF-SFHVURJKSA-N -1 3 379.489 3.573 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823359355 607012089 /nfs/dbraw/zinc/01/20/89/607012089.db2.gz MHSBEEQZTOSPHT-KRWDZBQOSA-N -1 3 390.447 3.825 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823359355 607012091 /nfs/dbraw/zinc/01/20/91/607012091.db2.gz MHSBEEQZTOSPHT-KRWDZBQOSA-N -1 3 390.447 3.825 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2sccc2C1 ZINC000820032717 607012570 /nfs/dbraw/zinc/01/25/70/607012570.db2.gz PWBJBBUEXIRQOS-KRWDZBQOSA-N -1 3 399.545 3.630 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000820032717 607012572 /nfs/dbraw/zinc/01/25/72/607012572.db2.gz PWBJBBUEXIRQOS-KRWDZBQOSA-N -1 3 399.545 3.630 20 0 GHADHM CC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938646 607013306 /nfs/dbraw/zinc/01/33/06/607013306.db2.gz LCYNBRZUPZKPGV-KRWDZBQOSA-N -1 3 381.461 3.579 20 0 GHADHM CC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938646 607013307 /nfs/dbraw/zinc/01/33/07/607013307.db2.gz LCYNBRZUPZKPGV-KRWDZBQOSA-N -1 3 381.461 3.579 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820554847 607013572 /nfs/dbraw/zinc/01/35/72/607013572.db2.gz AIKOAFGJGXRBSO-DOMZBBRYSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820554847 607013574 /nfs/dbraw/zinc/01/35/74/607013574.db2.gz AIKOAFGJGXRBSO-DOMZBBRYSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820554950 607015237 /nfs/dbraw/zinc/01/52/37/607015237.db2.gz CFCOPUWBRSYSDL-KGLIPLIRSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820554950 607015238 /nfs/dbraw/zinc/01/52/38/607015238.db2.gz CFCOPUWBRSYSDL-KGLIPLIRSA-N -1 3 379.489 3.715 20 0 GHADHM Cc1ccc(CS[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1C ZINC000822240069 607017396 /nfs/dbraw/zinc/01/73/96/607017396.db2.gz RAFUBJMWMQOSFB-HNNXBMFYSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1ccc(CS[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1C ZINC000822240069 607017397 /nfs/dbraw/zinc/01/73/97/607017397.db2.gz RAFUBJMWMQOSFB-HNNXBMFYSA-N -1 3 385.518 3.584 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822202428 607021446 /nfs/dbraw/zinc/02/14/46/607021446.db2.gz ZIFMAJAKECATOM-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822202428 607021447 /nfs/dbraw/zinc/02/14/47/607021447.db2.gz ZIFMAJAKECATOM-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ncc(-c4nnn[n-]4)cc3Cl)cc2)n1 ZINC000822198036 607027879 /nfs/dbraw/zinc/02/78/79/607027879.db2.gz ZFKUPKCNSXWTGH-CYBMUJFWSA-N -1 3 394.870 3.891 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2)n1 ZINC000822198036 607027881 /nfs/dbraw/zinc/02/78/81/607027881.db2.gz ZFKUPKCNSXWTGH-CYBMUJFWSA-N -1 3 394.870 3.891 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H]1COc2c1ccc(Cl)c2Cl ZINC000822739971 607056584 /nfs/dbraw/zinc/05/65/84/607056584.db2.gz FSPNHVQBXSCLDD-ZDUSSCGKSA-N -1 3 380.210 3.536 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H]1COc2c1ccc(Cl)c2Cl ZINC000822739971 607056586 /nfs/dbraw/zinc/05/65/86/607056586.db2.gz FSPNHVQBXSCLDD-ZDUSSCGKSA-N -1 3 380.210 3.536 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccc(F)nc2)cc1 ZINC000822143637 607098929 /nfs/dbraw/zinc/09/89/29/607098929.db2.gz DQDSGVCUSUQPPO-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000821304516 607100882 /nfs/dbraw/zinc/10/08/82/607100882.db2.gz INIZUJBHLDXYKU-UHFFFAOYSA-N -1 3 389.419 3.514 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCCOc1cccc(C)c1 ZINC000821293221 607101638 /nfs/dbraw/zinc/10/16/38/607101638.db2.gz IJOWJKSRUVYPPQ-UHFFFAOYSA-N -1 3 394.479 3.795 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000822332068 607116401 /nfs/dbraw/zinc/11/64/01/607116401.db2.gz MDCXTNQXNVBQAU-GUYCJALGSA-N -1 3 392.488 3.751 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000822332068 607116403 /nfs/dbraw/zinc/11/64/03/607116403.db2.gz MDCXTNQXNVBQAU-GUYCJALGSA-N -1 3 392.488 3.751 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)NC1CC=CC1 ZINC000823355472 607138083 /nfs/dbraw/zinc/13/80/83/607138083.db2.gz CWIWPJGCYJTROQ-UHFFFAOYSA-N -1 3 380.383 3.638 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)NC1CC=CC1 ZINC000823355472 607138084 /nfs/dbraw/zinc/13/80/84/607138084.db2.gz CWIWPJGCYJTROQ-UHFFFAOYSA-N -1 3 380.383 3.638 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000820937746 607150464 /nfs/dbraw/zinc/15/04/64/607150464.db2.gz COKQIWBGXKKNGT-CQSZACIVSA-N -1 3 394.859 3.562 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000820937746 607150466 /nfs/dbraw/zinc/15/04/66/607150466.db2.gz COKQIWBGXKKNGT-CQSZACIVSA-N -1 3 394.859 3.562 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821699219 607152659 /nfs/dbraw/zinc/15/26/59/607152659.db2.gz HGVMIMLHZCIZHJ-LLVKDONJSA-N -1 3 394.859 3.562 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)OC1CCCCCC1 ZINC000821699219 607152661 /nfs/dbraw/zinc/15/26/61/607152661.db2.gz HGVMIMLHZCIZHJ-LLVKDONJSA-N -1 3 394.859 3.562 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000820151655 607156669 /nfs/dbraw/zinc/15/66/69/607156669.db2.gz LPJDRQTZAIFDJS-CQSZACIVSA-N -1 3 387.484 3.720 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000820151655 607156671 /nfs/dbraw/zinc/15/66/71/607156671.db2.gz LPJDRQTZAIFDJS-CQSZACIVSA-N -1 3 387.484 3.720 20 0 GHADHM CN(CCOC(C)(C)C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821603544 607165713 /nfs/dbraw/zinc/16/57/13/607165713.db2.gz DDFLGWQQSUOFNW-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CN(CCOC(C)(C)C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821603544 607165714 /nfs/dbraw/zinc/16/57/14/607165714.db2.gz DDFLGWQQSUOFNW-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821883201 607172239 /nfs/dbraw/zinc/17/22/39/607172239.db2.gz SCYBWCPBCJPKEM-JLTOFOAXSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821883201 607172240 /nfs/dbraw/zinc/17/22/40/607172240.db2.gz SCYBWCPBCJPKEM-JLTOFOAXSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821845941 607189789 /nfs/dbraw/zinc/18/97/89/607189789.db2.gz MEVIOVLMSJOHAV-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821845941 607189790 /nfs/dbraw/zinc/18/97/90/607189790.db2.gz MEVIOVLMSJOHAV-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Cc1cccs1 ZINC000820270107 607197769 /nfs/dbraw/zinc/19/77/69/607197769.db2.gz VIXFNRQYZPLJAF-SNVBAGLBSA-N -1 3 376.873 3.582 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Cc1cccs1 ZINC000820270107 607197770 /nfs/dbraw/zinc/19/77/70/607197770.db2.gz VIXFNRQYZPLJAF-SNVBAGLBSA-N -1 3 376.873 3.582 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820375194 607198341 /nfs/dbraw/zinc/19/83/41/607198341.db2.gz ZRVOIMJHOVDMCB-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820375194 607198342 /nfs/dbraw/zinc/19/83/42/607198342.db2.gz ZRVOIMJHOVDMCB-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCSc2ccccc21 ZINC000823318873 607198921 /nfs/dbraw/zinc/19/89/21/607198921.db2.gz MOHYUEGUWZCOPE-ZDUSSCGKSA-N -1 3 386.868 3.879 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCSc2ccccc21 ZINC000823318873 607198922 /nfs/dbraw/zinc/19/89/22/607198922.db2.gz MOHYUEGUWZCOPE-ZDUSSCGKSA-N -1 3 386.868 3.879 20 0 GHADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823219334 607203754 /nfs/dbraw/zinc/20/37/54/607203754.db2.gz JHAPXFJRGRTSLO-UHFFFAOYSA-N -1 3 382.811 3.631 20 0 GHADHM O=C(NCCc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823219334 607203755 /nfs/dbraw/zinc/20/37/55/607203755.db2.gz JHAPXFJRGRTSLO-UHFFFAOYSA-N -1 3 382.811 3.631 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000820087764 607214967 /nfs/dbraw/zinc/21/49/67/607214967.db2.gz ZIUVUAHFCFZXRR-MRXNPFEDSA-N -1 3 392.454 3.612 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000820087764 607214968 /nfs/dbraw/zinc/21/49/68/607214968.db2.gz ZIUVUAHFCFZXRR-MRXNPFEDSA-N -1 3 392.454 3.612 20 0 GHADHM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823350735 607232080 /nfs/dbraw/zinc/23/20/80/607232080.db2.gz ZETXYXLDFHQYNK-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823350735 607232081 /nfs/dbraw/zinc/23/20/81/607232081.db2.gz ZETXYXLDFHQYNK-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823299375 607240908 /nfs/dbraw/zinc/24/09/08/607240908.db2.gz UUXPWVKOTOKUQG-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823299375 607240909 /nfs/dbraw/zinc/24/09/09/607240909.db2.gz UUXPWVKOTOKUQG-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)c1cccc(Cl)c1 ZINC000823313556 607242571 /nfs/dbraw/zinc/24/25/71/607242571.db2.gz FBYZIAYQRXUWAM-UHFFFAOYSA-N -1 3 384.173 3.904 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)c1cccc(Cl)c1 ZINC000823313556 607242572 /nfs/dbraw/zinc/24/25/72/607242572.db2.gz FBYZIAYQRXUWAM-UHFFFAOYSA-N -1 3 384.173 3.904 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ncoc1-c1ccccc1Cl ZINC000823451097 607247466 /nfs/dbraw/zinc/24/74/66/607247466.db2.gz VBZQCJINLCBYSE-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ncoc1-c1ccccc1Cl ZINC000823451097 607247467 /nfs/dbraw/zinc/24/74/67/607247467.db2.gz VBZQCJINLCBYSE-UHFFFAOYSA-N -1 3 385.742 3.533 20 0 GHADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c(C)s1 ZINC000826323927 607785605 /nfs/dbraw/zinc/78/56/05/607785605.db2.gz XZDZYZDAHLGZRR-UHFFFAOYSA-N -1 3 388.522 3.913 20 0 GHADHM Cc1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c(C)s1 ZINC000826323927 607785606 /nfs/dbraw/zinc/78/56/06/607785606.db2.gz XZDZYZDAHLGZRR-UHFFFAOYSA-N -1 3 388.522 3.913 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824739134 607786042 /nfs/dbraw/zinc/78/60/42/607786042.db2.gz VMFTWTFYOFGPBB-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824739134 607786043 /nfs/dbraw/zinc/78/60/43/607786043.db2.gz VMFTWTFYOFGPBB-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM CN(C(=O)Cc1csc2ccc(Cl)cc12)c1ccccc1-c1nnn[n-]1 ZINC000825820488 607786536 /nfs/dbraw/zinc/78/65/36/607786536.db2.gz HPZBDMQIYPBJLJ-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CN(C(=O)Cc1csc2ccc(Cl)cc12)c1ccccc1-c1nn[n-]n1 ZINC000825820488 607786537 /nfs/dbraw/zinc/78/65/37/607786537.db2.gz HPZBDMQIYPBJLJ-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825833906 607789417 /nfs/dbraw/zinc/78/94/17/607789417.db2.gz NNXFHHFVIFLEPI-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825833906 607789418 /nfs/dbraw/zinc/78/94/18/607789418.db2.gz NNXFHHFVIFLEPI-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824731507 607789636 /nfs/dbraw/zinc/78/96/36/607789636.db2.gz WLOHPVAWMGMJRA-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824731507 607789637 /nfs/dbraw/zinc/78/96/37/607789637.db2.gz WLOHPVAWMGMJRA-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000825653684 607794541 /nfs/dbraw/zinc/79/45/41/607794541.db2.gz HXLHSUVKJVDDBC-UHFFFAOYSA-N -1 3 393.419 3.620 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000825653684 607794542 /nfs/dbraw/zinc/79/45/42/607794542.db2.gz HXLHSUVKJVDDBC-UHFFFAOYSA-N -1 3 393.419 3.620 20 0 GHADHM CCN(C(=O)C[C@H]1CCCc2cc(OC)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366849 607796165 /nfs/dbraw/zinc/79/61/65/607796165.db2.gz GYRCKIWAQZFHSA-QGZVFWFLSA-N -1 3 391.475 3.738 20 0 GHADHM CCN(C(=O)C[C@H]1CCCc2cc(OC)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366849 607796166 /nfs/dbraw/zinc/79/61/66/607796166.db2.gz GYRCKIWAQZFHSA-QGZVFWFLSA-N -1 3 391.475 3.738 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000824119255 607826904 /nfs/dbraw/zinc/82/69/04/607826904.db2.gz DXZWMXFBPBYRAZ-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000824119255 607826905 /nfs/dbraw/zinc/82/69/05/607826905.db2.gz DXZWMXFBPBYRAZ-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM C[C@H]1CSc2ccccc2N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825014848 607830356 /nfs/dbraw/zinc/83/03/56/607830356.db2.gz YEUBFGCZDBAAQU-CQSZACIVSA-N -1 3 379.489 3.574 20 0 GHADHM C[C@H]1CSc2ccccc2N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825014848 607830357 /nfs/dbraw/zinc/83/03/57/607830357.db2.gz YEUBFGCZDBAAQU-CQSZACIVSA-N -1 3 379.489 3.574 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000826252387 607830745 /nfs/dbraw/zinc/83/07/45/607830745.db2.gz BBPUNWCYHFJEJH-SFHVURJKSA-N -1 3 380.448 3.775 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000826252387 607830746 /nfs/dbraw/zinc/83/07/46/607830746.db2.gz BBPUNWCYHFJEJH-SFHVURJKSA-N -1 3 380.448 3.775 20 0 GHADHM CC(C)(C)Cc1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)n[nH]1 ZINC000824093425 607834491 /nfs/dbraw/zinc/83/44/91/607834491.db2.gz HNJYWMRPVGNIDQ-UHFFFAOYSA-N -1 3 394.266 3.738 20 0 GHADHM CC(C)(C)Cc1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)n[nH]1 ZINC000824093425 607834492 /nfs/dbraw/zinc/83/44/92/607834492.db2.gz HNJYWMRPVGNIDQ-UHFFFAOYSA-N -1 3 394.266 3.738 20 0 GHADHM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429216 607834766 /nfs/dbraw/zinc/83/47/66/607834766.db2.gz XADSIHFEZFOUBB-FZMZJTMJSA-N -1 3 392.221 3.599 20 0 GHADHM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429216 607834767 /nfs/dbraw/zinc/83/47/67/607834767.db2.gz XADSIHFEZFOUBB-FZMZJTMJSA-N -1 3 392.221 3.599 20 0 GHADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825643111 607844507 /nfs/dbraw/zinc/84/45/07/607844507.db2.gz IXDFLJLFYDHAFB-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825643111 607844508 /nfs/dbraw/zinc/84/45/08/607844508.db2.gz IXDFLJLFYDHAFB-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000826233990 607861437 /nfs/dbraw/zinc/86/14/37/607861437.db2.gz COPHTOUYDOVUHM-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000826233990 607861438 /nfs/dbraw/zinc/86/14/38/607861438.db2.gz COPHTOUYDOVUHM-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826243192 607874037 /nfs/dbraw/zinc/87/40/37/607874037.db2.gz YCASBUAYYBUBLB-HNNXBMFYSA-N -1 3 378.354 3.615 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824802397 607894054 /nfs/dbraw/zinc/89/40/54/607894054.db2.gz MISSIDOEUNEQAS-INIZCTEOSA-N -1 3 397.523 3.843 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824802397 607894055 /nfs/dbraw/zinc/89/40/55/607894055.db2.gz MISSIDOEUNEQAS-INIZCTEOSA-N -1 3 397.523 3.843 20 0 GHADHM CC(=O)c1ccc2c(c1)CCN(c1c(-c3nnn[n-]3)cnc3c(C)cccc31)CC2 ZINC000824029531 607903540 /nfs/dbraw/zinc/90/35/40/607903540.db2.gz MSROKWASROXQSX-UHFFFAOYSA-N -1 3 398.470 3.531 20 0 GHADHM CC(=O)c1ccc2c(c1)CCN(c1c(-c3nn[n-]n3)cnc3c(C)cccc31)CC2 ZINC000824029531 607903541 /nfs/dbraw/zinc/90/35/41/607903541.db2.gz MSROKWASROXQSX-UHFFFAOYSA-N -1 3 398.470 3.531 20 0 GHADHM O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399011 607947357 /nfs/dbraw/zinc/94/73/57/607947357.db2.gz KIAOVGICUZPCNQ-PMACEKPBSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399011 607947358 /nfs/dbraw/zinc/94/73/58/607947358.db2.gz KIAOVGICUZPCNQ-PMACEKPBSA-N -1 3 381.439 3.713 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826283667 607948846 /nfs/dbraw/zinc/94/88/46/607948846.db2.gz XDGMPMJIJJYESM-HNNXBMFYSA-N -1 3 391.475 3.655 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826283667 607948847 /nfs/dbraw/zinc/94/88/47/607948847.db2.gz XDGMPMJIJJYESM-HNNXBMFYSA-N -1 3 391.475 3.655 20 0 GHADHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)n1C1CCCCC1 ZINC000826258164 607953342 /nfs/dbraw/zinc/95/33/42/607953342.db2.gz CEDIZJDATMGCJS-UHFFFAOYSA-N -1 3 390.491 3.993 20 0 GHADHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)n1C1CCCCC1 ZINC000826258164 607953343 /nfs/dbraw/zinc/95/33/43/607953343.db2.gz CEDIZJDATMGCJS-UHFFFAOYSA-N -1 3 390.491 3.993 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824206899 607954725 /nfs/dbraw/zinc/95/47/25/607954725.db2.gz LJLKRROGAZMFNI-SFHVURJKSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824206899 607954726 /nfs/dbraw/zinc/95/47/26/607954726.db2.gz LJLKRROGAZMFNI-SFHVURJKSA-N -1 3 379.489 3.573 20 0 GHADHM CCN(CCc1ccccc1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825424973 607963973 /nfs/dbraw/zinc/96/39/73/607963973.db2.gz WDWHTHXRDJBIJQ-UHFFFAOYSA-N -1 3 390.274 3.878 20 0 GHADHM CCN(CCc1ccccc1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825424973 607963974 /nfs/dbraw/zinc/96/39/74/607963974.db2.gz WDWHTHXRDJBIJQ-UHFFFAOYSA-N -1 3 390.274 3.878 20 0 GHADHM Brc1ccc(OCc2csc(C3CC3)n2)c(-c2nnn[n-]2)c1 ZINC000823832428 607965317 /nfs/dbraw/zinc/96/53/17/607965317.db2.gz NWMUHLYXVYJEKE-UHFFFAOYSA-N -1 3 378.255 3.542 20 0 GHADHM Brc1ccc(OCc2csc(C3CC3)n2)c(-c2nn[n-]n2)c1 ZINC000823832428 607965318 /nfs/dbraw/zinc/96/53/18/607965318.db2.gz NWMUHLYXVYJEKE-UHFFFAOYSA-N -1 3 378.255 3.542 20 0 GHADHM COc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1Cl ZINC000826177227 607979512 /nfs/dbraw/zinc/97/95/12/607979512.db2.gz YEIPERIJUGYTOG-UHFFFAOYSA-N -1 3 385.855 3.580 20 0 GHADHM COc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1Cl ZINC000826177227 607979513 /nfs/dbraw/zinc/97/95/13/607979513.db2.gz YEIPERIJUGYTOG-UHFFFAOYSA-N -1 3 385.855 3.580 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(Oc2nccc(OCc3ccccc3)n2)c1 ZINC000826351223 608015632 /nfs/dbraw/zinc/01/56/32/608015632.db2.gz DKCMKBOMBOFVQV-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(Oc2nccc(OCc3ccccc3)n2)c1 ZINC000826351223 608015633 /nfs/dbraw/zinc/01/56/33/608015633.db2.gz DKCMKBOMBOFVQV-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM Clc1ncc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)s1 ZINC000826353965 608018984 /nfs/dbraw/zinc/01/89/84/608018984.db2.gz LAIBOCNGEIOVEH-UHFFFAOYSA-N -1 3 385.840 3.776 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ncc(C3CC3)o2)n1 ZINC000826262347 608021663 /nfs/dbraw/zinc/02/16/63/608021663.db2.gz MGENFYJXNMADGM-UHFFFAOYSA-N -1 3 382.371 3.747 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826456070 608022991 /nfs/dbraw/zinc/02/29/91/608022991.db2.gz OWORMBAEEJMUPG-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826456070 608022992 /nfs/dbraw/zinc/02/29/92/608022992.db2.gz OWORMBAEEJMUPG-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826452221 608023054 /nfs/dbraw/zinc/02/30/54/608023054.db2.gz LQJDAGVVJOYOLJ-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826452221 608023055 /nfs/dbraw/zinc/02/30/55/608023055.db2.gz LQJDAGVVJOYOLJ-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1C1CC1 ZINC000825081420 608024254 /nfs/dbraw/zinc/02/42/54/608024254.db2.gz IVLBLQPKEWKTPI-SECBINFHSA-N -1 3 385.497 3.842 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1C1CC1 ZINC000825081420 608024255 /nfs/dbraw/zinc/02/42/55/608024255.db2.gz IVLBLQPKEWKTPI-SECBINFHSA-N -1 3 385.497 3.842 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824520676 608030199 /nfs/dbraw/zinc/03/01/99/608030199.db2.gz BGHCQARZONDQLA-CYBMUJFWSA-N -1 3 390.472 3.837 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824520676 608030200 /nfs/dbraw/zinc/03/02/00/608030200.db2.gz BGHCQARZONDQLA-CYBMUJFWSA-N -1 3 390.472 3.837 20 0 GHADHM O=C(NCc1ccoc1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826443501 608058513 /nfs/dbraw/zinc/05/85/13/608058513.db2.gz RTDYTAABHLFOQM-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NCc1ccoc1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826443501 608058514 /nfs/dbraw/zinc/05/85/14/608058514.db2.gz RTDYTAABHLFOQM-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM Cc1sc(NC(=O)CCCc2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826349347 608059280 /nfs/dbraw/zinc/05/92/80/608059280.db2.gz FLXJBHHZFPLYMR-UHFFFAOYSA-N -1 3 377.420 3.785 20 0 GHADHM Cc1sc(NC(=O)CCCc2cc(F)ccc2F)c(-c2nn[n-]n2)c1C ZINC000826349347 608059281 /nfs/dbraw/zinc/05/92/81/608059281.db2.gz FLXJBHHZFPLYMR-UHFFFAOYSA-N -1 3 377.420 3.785 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824764494 608098680 /nfs/dbraw/zinc/09/86/80/608098680.db2.gz WPWXPGGIYCQFLC-NSHDSACASA-N -1 3 396.501 3.620 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824764494 608098681 /nfs/dbraw/zinc/09/86/81/608098681.db2.gz WPWXPGGIYCQFLC-NSHDSACASA-N -1 3 396.501 3.620 20 0 GHADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824967980 608102518 /nfs/dbraw/zinc/10/25/18/608102518.db2.gz OIEBNZJWLNWLOX-VLIAUNLRSA-N -1 3 393.516 3.540 20 0 GHADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824967980 608102519 /nfs/dbraw/zinc/10/25/19/608102519.db2.gz OIEBNZJWLNWLOX-VLIAUNLRSA-N -1 3 393.516 3.540 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824763857 608104176 /nfs/dbraw/zinc/10/41/76/608104176.db2.gz PVDZCAAZLVBNCF-NSHDSACASA-N -1 3 397.485 3.700 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824763857 608104177 /nfs/dbraw/zinc/10/41/77/608104177.db2.gz PVDZCAAZLVBNCF-NSHDSACASA-N -1 3 397.485 3.700 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081701 608106293 /nfs/dbraw/zinc/10/62/93/608106293.db2.gz MKTNVAIJLVXNNV-CHWSQXEVSA-N -1 3 394.483 3.794 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081701 608106294 /nfs/dbraw/zinc/10/62/94/608106294.db2.gz MKTNVAIJLVXNNV-CHWSQXEVSA-N -1 3 394.483 3.794 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CC[C@@H](C2CC2)C1 ZINC000826457256 608119295 /nfs/dbraw/zinc/11/92/95/608119295.db2.gz TTYNKJOFNDXCIU-MRXNPFEDSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CC[C@@H](C2CC2)C1 ZINC000826457256 608119296 /nfs/dbraw/zinc/11/92/96/608119296.db2.gz TTYNKJOFNDXCIU-MRXNPFEDSA-N -1 3 390.447 3.923 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824866229 608119455 /nfs/dbraw/zinc/11/94/55/608119455.db2.gz LSJMZTIGMKTAHG-DYVFJYSZSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824866229 608119456 /nfs/dbraw/zinc/11/94/56/608119456.db2.gz LSJMZTIGMKTAHG-DYVFJYSZSA-N -1 3 391.431 3.603 20 0 GHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824077467 608130982 /nfs/dbraw/zinc/13/09/82/608130982.db2.gz BMGAAVIXGIQEII-OAHLLOKOSA-N -1 3 395.463 3.547 20 0 GHADHM Cc1sc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826349381 608148936 /nfs/dbraw/zinc/14/89/36/608148936.db2.gz GKQYIBDXTJUUTQ-UHFFFAOYSA-N -1 3 399.476 3.753 20 0 GHADHM Cc1sc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000826349381 608148937 /nfs/dbraw/zinc/14/89/37/608148937.db2.gz GKQYIBDXTJUUTQ-UHFFFAOYSA-N -1 3 399.476 3.753 20 0 GHADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000825013032 608149564 /nfs/dbraw/zinc/14/95/64/608149564.db2.gz NLAIGMAYCNBEDZ-ABAIWWIYSA-N -1 3 399.838 3.676 20 0 GHADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000825013032 608149565 /nfs/dbraw/zinc/14/95/65/608149565.db2.gz NLAIGMAYCNBEDZ-ABAIWWIYSA-N -1 3 399.838 3.676 20 0 GHADHM CC(=O)c1cc(Br)c(F)cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000824010645 608153515 /nfs/dbraw/zinc/15/35/15/608153515.db2.gz OIEMRKTTWUIVLM-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)c(F)cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000824010645 608153516 /nfs/dbraw/zinc/15/35/16/608153516.db2.gz OIEMRKTTWUIVLM-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000825787346 608176754 /nfs/dbraw/zinc/17/67/54/608176754.db2.gz CZEPUZPOIICQJH-LBPRGKRZSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000825787346 608176756 /nfs/dbraw/zinc/17/67/56/608176756.db2.gz CZEPUZPOIICQJH-LBPRGKRZSA-N -1 3 393.426 3.508 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000824266818 608205405 /nfs/dbraw/zinc/20/54/05/608205405.db2.gz QSROYGMUQZAGPI-JTQLQIEISA-N -1 3 394.888 3.929 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000824266818 608205408 /nfs/dbraw/zinc/20/54/08/608205408.db2.gz QSROYGMUQZAGPI-JTQLQIEISA-N -1 3 394.888 3.929 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N(C)C1CCCCC1 ZINC000824753022 608205882 /nfs/dbraw/zinc/20/58/82/608205882.db2.gz BGCVEGFCYJFFEH-LLVKDONJSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N(C)C1CCCCC1 ZINC000824753022 608205883 /nfs/dbraw/zinc/20/58/83/608205883.db2.gz BGCVEGFCYJFFEH-LLVKDONJSA-N -1 3 379.917 3.792 20 0 GHADHM Cc1cccc(O)c1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826300512 608211891 /nfs/dbraw/zinc/21/18/91/608211891.db2.gz XPDXGURZXZXDCZ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM C[C@@H](CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824384423 608219388 /nfs/dbraw/zinc/21/93/88/608219388.db2.gz BNFZLPHEYQINIC-CQSZACIVSA-N -1 3 383.883 3.747 20 0 GHADHM C[C@@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824384423 608219390 /nfs/dbraw/zinc/21/93/90/608219390.db2.gz BNFZLPHEYQINIC-CQSZACIVSA-N -1 3 383.883 3.747 20 0 GHADHM CC(C)(C)c1csc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000824136622 608226288 /nfs/dbraw/zinc/22/62/88/608226288.db2.gz RNQIPKKLERFQBT-UHFFFAOYSA-N -1 3 379.493 3.824 20 0 GHADHM CC(C)(C)c1csc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000824136622 608226290 /nfs/dbraw/zinc/22/62/90/608226290.db2.gz RNQIPKKLERFQBT-UHFFFAOYSA-N -1 3 379.493 3.824 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824293540 608237381 /nfs/dbraw/zinc/23/73/81/608237381.db2.gz QVHFSTCLWHHERZ-POHAHGRESA-N -1 3 386.459 3.798 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824293540 608237383 /nfs/dbraw/zinc/23/73/83/608237383.db2.gz QVHFSTCLWHHERZ-POHAHGRESA-N -1 3 386.459 3.798 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(Cl)c(F)c1 ZINC000826451720 608241688 /nfs/dbraw/zinc/24/16/88/608241688.db2.gz SUFDACYYUPJJRE-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(Cl)c(F)c1 ZINC000826451720 608241690 /nfs/dbraw/zinc/24/16/90/608241690.db2.gz SUFDACYYUPJJRE-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824119420 608251012 /nfs/dbraw/zinc/25/10/12/608251012.db2.gz IFEIEFALIBZJLK-UHFFFAOYSA-N -1 3 383.427 3.754 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824119420 608251014 /nfs/dbraw/zinc/25/10/14/608251014.db2.gz IFEIEFALIBZJLK-UHFFFAOYSA-N -1 3 383.427 3.754 20 0 GHADHM O=C(C=C1CCSCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826400411 608259738 /nfs/dbraw/zinc/25/97/38/608259738.db2.gz YRFRIIIFVLGAPC-UHFFFAOYSA-N -1 3 378.457 3.893 20 0 GHADHM O=C(C=C1CCSCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826400411 608259739 /nfs/dbraw/zinc/25/97/39/608259739.db2.gz YRFRIIIFVLGAPC-UHFFFAOYSA-N -1 3 378.457 3.893 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000824730152 608265224 /nfs/dbraw/zinc/26/52/24/608265224.db2.gz MPIZHPFHTXUWJU-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C[C@H]1C ZINC000824948355 608269127 /nfs/dbraw/zinc/26/91/27/608269127.db2.gz UNLYPTTWQBQHRR-ZIAGYGMSSA-N -1 3 393.451 3.564 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000825193466 608270694 /nfs/dbraw/zinc/27/06/94/608270694.db2.gz LSKVNPHUPORYDT-YJBOKZPZSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000825193466 608270696 /nfs/dbraw/zinc/27/06/96/608270696.db2.gz LSKVNPHUPORYDT-YJBOKZPZSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824516979 608310410 /nfs/dbraw/zinc/31/04/10/608310410.db2.gz ZIEGCICILANFPU-RYUDHWBXSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824516979 608310412 /nfs/dbraw/zinc/31/04/12/608310412.db2.gz ZIEGCICILANFPU-RYUDHWBXSA-N -1 3 389.381 3.808 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cc(-c2ccccc2)no1 ZINC000826173437 608322826 /nfs/dbraw/zinc/32/28/26/608322826.db2.gz DILPXMQCIILLGE-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cc(-c2ccccc2)no1 ZINC000826173437 608322828 /nfs/dbraw/zinc/32/28/28/608322828.db2.gz DILPXMQCIILLGE-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1cc(F)cc2cccnc21 ZINC000826173739 608323000 /nfs/dbraw/zinc/32/30/00/608323000.db2.gz SACWTWVXSFQLBJ-UHFFFAOYSA-N -1 3 381.436 3.996 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1cc(F)cc2cccnc21 ZINC000826173739 608323001 /nfs/dbraw/zinc/32/30/01/608323001.db2.gz SACWTWVXSFQLBJ-UHFFFAOYSA-N -1 3 381.436 3.996 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CCc2ccccc21 ZINC000826441199 608338231 /nfs/dbraw/zinc/33/82/31/608338231.db2.gz SRYCFESXJFJHGG-UHFFFAOYSA-N -1 3 396.454 3.806 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC000826441199 608338233 /nfs/dbraw/zinc/33/82/33/608338233.db2.gz SRYCFESXJFJHGG-UHFFFAOYSA-N -1 3 396.454 3.806 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nc2ccccc2s1 ZINC000824255147 608340427 /nfs/dbraw/zinc/34/04/27/608340427.db2.gz ADWLKXUWJNQKHZ-UHFFFAOYSA-N -1 3 392.488 3.775 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nc2ccccc2s1 ZINC000824255147 608340428 /nfs/dbraw/zinc/34/04/28/608340428.db2.gz ADWLKXUWJNQKHZ-UHFFFAOYSA-N -1 3 392.488 3.775 20 0 GHADHM CCN(C(=O)CCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371562 608342129 /nfs/dbraw/zinc/34/21/29/608342129.db2.gz IOQYOSSBUMUPGN-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CCN(C(=O)CCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371562 608342131 /nfs/dbraw/zinc/34/21/31/608342131.db2.gz IOQYOSSBUMUPGN-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366704 608343740 /nfs/dbraw/zinc/34/37/40/608343740.db2.gz DZJHLDYADGWUCP-CQSZACIVSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366704 608343742 /nfs/dbraw/zinc/34/37/42/608343742.db2.gz DZJHLDYADGWUCP-CQSZACIVSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376137 608345466 /nfs/dbraw/zinc/34/54/66/608345466.db2.gz CHQKIOQRGOZHFO-UHFFFAOYSA-N -1 3 391.859 3.804 20 0 GHADHM CCN(C(=O)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376137 608345467 /nfs/dbraw/zinc/34/54/67/608345467.db2.gz CHQKIOQRGOZHFO-UHFFFAOYSA-N -1 3 391.859 3.804 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1cc(-c2ccccc2)no1 ZINC000823826488 608364882 /nfs/dbraw/zinc/36/48/82/608364882.db2.gz JYPGQHNCFRCIOX-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824244458 608391062 /nfs/dbraw/zinc/39/10/62/608391062.db2.gz RJFRPSOABPCZQV-MRXNPFEDSA-N -1 3 382.512 3.880 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824244458 608391065 /nfs/dbraw/zinc/39/10/65/608391065.db2.gz RJFRPSOABPCZQV-MRXNPFEDSA-N -1 3 382.512 3.880 20 0 GHADHM Cc1nc(CCSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)cs1 ZINC000826262691 608393659 /nfs/dbraw/zinc/39/36/59/608393659.db2.gz VQAATMCHWPFLOO-UHFFFAOYSA-N -1 3 386.428 3.689 20 0 GHADHM CCOc1ccccc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825654294 608436072 /nfs/dbraw/zinc/43/60/72/608436072.db2.gz VUHJLLTVOXABHC-GFCCVEGCSA-N -1 3 389.406 3.718 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cc(F)ccc1F ZINC000824613043 608437937 /nfs/dbraw/zinc/43/79/37/608437937.db2.gz RBEUMGYIJSPTAQ-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cc(F)ccc1F ZINC000824613043 608437939 /nfs/dbraw/zinc/43/79/39/608437939.db2.gz RBEUMGYIJSPTAQ-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc2ccccc2c(Cl)n1 ZINC000826466866 608442517 /nfs/dbraw/zinc/44/25/17/608442517.db2.gz WLEGXZXGARLCLT-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2ccccc2c(Cl)n1 ZINC000826466866 608442519 /nfs/dbraw/zinc/44/25/19/608442519.db2.gz WLEGXZXGARLCLT-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)cc2cccnc21 ZINC000824293647 608447638 /nfs/dbraw/zinc/44/76/38/608447638.db2.gz VJRUDGYLYLZEIM-UHFFFAOYSA-N -1 3 390.422 3.605 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)cc2cccnc21 ZINC000824293647 608447640 /nfs/dbraw/zinc/44/76/40/608447640.db2.gz VJRUDGYLYLZEIM-UHFFFAOYSA-N -1 3 390.422 3.605 20 0 GHADHM Cc1cccc(-c2noc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)c1 ZINC000826295760 608460694 /nfs/dbraw/zinc/46/06/94/608460694.db2.gz WVJYLAVWYGVSEX-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM C[C@@H](NCc1c(F)cccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000824607525 608462463 /nfs/dbraw/zinc/46/24/63/608462463.db2.gz ZMYYFMFTEJVYIN-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000825620789 608468983 /nfs/dbraw/zinc/46/89/83/608468983.db2.gz HYPABBCYLJEILO-CQSZACIVSA-N -1 3 390.447 3.771 20 0 GHADHM CC[C@H](CSC)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825128467 608474802 /nfs/dbraw/zinc/47/48/02/608474802.db2.gz UZZNQGWEUGRAHJ-CYBMUJFWSA-N -1 3 399.545 3.889 20 0 GHADHM CC[C@H](CSC)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825128467 608474803 /nfs/dbraw/zinc/47/48/03/608474803.db2.gz UZZNQGWEUGRAHJ-CYBMUJFWSA-N -1 3 399.545 3.889 20 0 GHADHM O=C(c1sccc1C1CC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475856 608482607 /nfs/dbraw/zinc/48/26/07/608482607.db2.gz TUCTYGBEEGVOIH-UHFFFAOYSA-N -1 3 377.473 3.735 20 0 GHADHM O=C(c1sccc1C1CC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475856 608482608 /nfs/dbraw/zinc/48/26/08/608482608.db2.gz TUCTYGBEEGVOIH-UHFFFAOYSA-N -1 3 377.473 3.735 20 0 GHADHM c1csc(-c2nc(CN[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)co2)c1 ZINC000826526083 608504976 /nfs/dbraw/zinc/50/49/76/608504976.db2.gz KIFSWPOJKQEJPH-INIZCTEOSA-N -1 3 378.461 3.750 20 0 GHADHM c1sc(Nc2ccccc2)nc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826522264 608530425 /nfs/dbraw/zinc/53/04/25/608530425.db2.gz TXJPGHIMUNEMIB-UHFFFAOYSA-N -1 3 389.488 3.846 20 0 GHADHM CCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Br)ccc1F ZINC000825428494 608534459 /nfs/dbraw/zinc/53/44/59/608534459.db2.gz OVMHSPNJWPCNLH-UHFFFAOYSA-N -1 3 396.289 3.852 20 0 GHADHM CCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cc(Br)ccc1F ZINC000825428494 608534461 /nfs/dbraw/zinc/53/44/61/608534461.db2.gz OVMHSPNJWPCNLH-UHFFFAOYSA-N -1 3 396.289 3.852 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCC1=O ZINC000824868232 608539386 /nfs/dbraw/zinc/53/93/86/608539386.db2.gz UHXSDHXYBWVLNG-RYUDHWBXSA-N -1 3 387.509 3.531 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCC1=O ZINC000824868232 608539388 /nfs/dbraw/zinc/53/93/88/608539388.db2.gz UHXSDHXYBWVLNG-RYUDHWBXSA-N -1 3 387.509 3.531 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825638787 608544117 /nfs/dbraw/zinc/54/41/17/608544117.db2.gz OXYZZDSNRTWNMY-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825638787 608544118 /nfs/dbraw/zinc/54/41/18/608544118.db2.gz OXYZZDSNRTWNMY-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM CSc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826230722 608547386 /nfs/dbraw/zinc/54/73/86/608547386.db2.gz HIYFOGYNYYJSBT-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM CSc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230722 608547388 /nfs/dbraw/zinc/54/73/88/608547388.db2.gz HIYFOGYNYYJSBT-UHFFFAOYSA-N -1 3 383.477 3.693 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826420857 608560941 /nfs/dbraw/zinc/56/09/41/608560941.db2.gz GELQCWMFKWPIEU-UHFFFAOYSA-N -1 3 376.445 3.593 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000826420857 608560943 /nfs/dbraw/zinc/56/09/43/608560943.db2.gz GELQCWMFKWPIEU-UHFFFAOYSA-N -1 3 376.445 3.593 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826332054 608574038 /nfs/dbraw/zinc/57/40/38/608574038.db2.gz IJAVWZZVWJMTOV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826332054 608574039 /nfs/dbraw/zinc/57/40/39/608574039.db2.gz IJAVWZZVWJMTOV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H](C)C2CC2)cc1 ZINC000826209005 608575383 /nfs/dbraw/zinc/57/53/83/608575383.db2.gz JFOGTMYKFWZOLA-GFCCVEGCSA-N -1 3 397.866 3.974 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H](C)C2CC2)cc1 ZINC000826209005 608575384 /nfs/dbraw/zinc/57/53/84/608575384.db2.gz JFOGTMYKFWZOLA-GFCCVEGCSA-N -1 3 397.866 3.974 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000825620363 608582546 /nfs/dbraw/zinc/58/25/46/608582546.db2.gz AHULDZGGFJPELK-AWEZNQCLSA-N -1 3 383.839 3.587 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000825620363 608582548 /nfs/dbraw/zinc/58/25/48/608582548.db2.gz AHULDZGGFJPELK-AWEZNQCLSA-N -1 3 383.839 3.587 20 0 GHADHM COc1cc(Nc2cccc(F)c2-c2nnn[n-]2)cc(OC)c1Br ZINC000826181412 608587891 /nfs/dbraw/zinc/58/78/91/608587891.db2.gz YMQFZQQDAGOXGN-UHFFFAOYSA-N -1 3 394.204 3.529 20 0 GHADHM COc1cc(Nc2cccc(F)c2-c2nn[n-]n2)cc(OC)c1Br ZINC000826181412 608587892 /nfs/dbraw/zinc/58/78/92/608587892.db2.gz YMQFZQQDAGOXGN-UHFFFAOYSA-N -1 3 394.204 3.529 20 0 GHADHM Clc1ccc([C@H]2CSCCN2Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826351604 608714785 /nfs/dbraw/zinc/71/47/85/608714785.db2.gz SJFBQVSVJAOJNV-CQSZACIVSA-N -1 3 377.926 3.872 20 0 GHADHM Clc1ccc([C@H]2CSCCN2Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826351604 608714789 /nfs/dbraw/zinc/71/47/89/608714789.db2.gz SJFBQVSVJAOJNV-CQSZACIVSA-N -1 3 377.926 3.872 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000824738782 608824232 /nfs/dbraw/zinc/82/42/32/608824232.db2.gz RCVUWAXMXQTGEY-NHYWBVRUSA-N -1 3 398.385 3.688 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826427062 608827533 /nfs/dbraw/zinc/82/75/33/608827533.db2.gz FBIWSJDXMXLRCY-INIZCTEOSA-N -1 3 387.365 3.767 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826427062 608827534 /nfs/dbraw/zinc/82/75/34/608827534.db2.gz FBIWSJDXMXLRCY-INIZCTEOSA-N -1 3 387.365 3.767 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1sccc1-c1nnn[n-]1 ZINC000826427202 608828922 /nfs/dbraw/zinc/82/89/22/608828922.db2.gz JBUYSSIMPPSBJR-CYBMUJFWSA-N -1 3 393.394 3.828 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1sccc1-c1nn[n-]n1 ZINC000826427202 608828923 /nfs/dbraw/zinc/82/89/23/608828923.db2.gz JBUYSSIMPPSBJR-CYBMUJFWSA-N -1 3 393.394 3.828 20 0 GHADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826331999 608868818 /nfs/dbraw/zinc/86/88/18/608868818.db2.gz GRMFCGKJCORXMF-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826185676 609156975 /nfs/dbraw/zinc/15/69/75/609156975.db2.gz QRMDEFBTXIOWMH-KAMXEHQASA-N -1 3 390.447 3.585 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826185676 609156976 /nfs/dbraw/zinc/15/69/76/609156976.db2.gz QRMDEFBTXIOWMH-KAMXEHQASA-N -1 3 390.447 3.585 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825074853 609162797 /nfs/dbraw/zinc/16/27/97/609162797.db2.gz KHBZIFMOIWBIRO-LSDHHAIUSA-N -1 3 394.479 3.662 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825074853 609162798 /nfs/dbraw/zinc/16/27/98/609162798.db2.gz KHBZIFMOIWBIRO-LSDHHAIUSA-N -1 3 394.479 3.662 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1cc(C)cc(C)c1 ZINC000826263562 609180914 /nfs/dbraw/zinc/18/09/14/609180914.db2.gz HOLPGZYAMRGOJO-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1cc(C)cc(C)c1 ZINC000826263562 609180916 /nfs/dbraw/zinc/18/09/16/609180916.db2.gz HOLPGZYAMRGOJO-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000824347960 609189001 /nfs/dbraw/zinc/18/90/01/609189001.db2.gz UXPPVJGPWLBYHB-UXHICEINSA-N -1 3 393.491 3.537 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000824347960 609189002 /nfs/dbraw/zinc/18/90/02/609189002.db2.gz UXPPVJGPWLBYHB-UXHICEINSA-N -1 3 393.491 3.537 20 0 GHADHM O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455384 609196945 /nfs/dbraw/zinc/19/69/45/609196945.db2.gz LREONUZQSCBAIJ-SFHVURJKSA-N -1 3 395.488 3.574 20 0 GHADHM O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455384 609196947 /nfs/dbraw/zinc/19/69/47/609196947.db2.gz LREONUZQSCBAIJ-SFHVURJKSA-N -1 3 395.488 3.574 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657536 609237274 /nfs/dbraw/zinc/23/72/74/609237274.db2.gz QUSVIAVYOKPCCB-CQSZACIVSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657536 609237276 /nfs/dbraw/zinc/23/72/76/609237276.db2.gz QUSVIAVYOKPCCB-CQSZACIVSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@H](CCC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824400266 609241564 /nfs/dbraw/zinc/24/15/64/609241564.db2.gz DAURDGIXPSRDIG-OAHLLOKOSA-N -1 3 384.528 3.599 20 0 GHADHM C[C@H](CCC1CCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824400266 609241565 /nfs/dbraw/zinc/24/15/65/609241565.db2.gz DAURDGIXPSRDIG-OAHLLOKOSA-N -1 3 384.528 3.599 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1Br ZINC000826180771 609243655 /nfs/dbraw/zinc/24/36/55/609243655.db2.gz WLTNSJURLUNOTQ-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1Br ZINC000826180771 609243657 /nfs/dbraw/zinc/24/36/57/609243657.db2.gz WLTNSJURLUNOTQ-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM CCN(CC)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000825416950 609258992 /nfs/dbraw/zinc/25/89/92/609258992.db2.gz NNXAKLNYYGHTSA-UHFFFAOYSA-N -1 3 394.479 3.752 20 0 GHADHM CCN(CC)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000825416950 609258993 /nfs/dbraw/zinc/25/89/93/609258993.db2.gz NNXAKLNYYGHTSA-UHFFFAOYSA-N -1 3 394.479 3.752 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656810 609270326 /nfs/dbraw/zinc/27/03/26/609270326.db2.gz NBSXUOUIRSVBRU-QTJFZDIUSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656810 609270327 /nfs/dbraw/zinc/27/03/27/609270327.db2.gz NBSXUOUIRSVBRU-QTJFZDIUSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656808 609270337 /nfs/dbraw/zinc/27/03/37/609270337.db2.gz NBSXUOUIRSVBRU-CJMONDIMSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656808 609270338 /nfs/dbraw/zinc/27/03/38/609270338.db2.gz NBSXUOUIRSVBRU-CJMONDIMSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824992657 609276571 /nfs/dbraw/zinc/27/65/71/609276571.db2.gz NLJQTPBTFBVDGT-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824992657 609276576 /nfs/dbraw/zinc/27/65/76/609276576.db2.gz NLJQTPBTFBVDGT-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM Cc1c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1C(=O)N1CCCC1 ZINC000826242356 609277051 /nfs/dbraw/zinc/27/70/51/609277051.db2.gz LOTWDUZBTFCBOW-HNNXBMFYSA-N -1 3 376.464 3.584 20 0 GHADHM Cc1c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1C(=O)N1CCCC1 ZINC000826242356 609277054 /nfs/dbraw/zinc/27/70/54/609277054.db2.gz LOTWDUZBTFCBOW-HNNXBMFYSA-N -1 3 376.464 3.584 20 0 GHADHM Cc1nc2cc(NCc3ccc(-c4nnn[n-]4)cc3OC(F)F)ccc2s1 ZINC000826329336 609281327 /nfs/dbraw/zinc/28/13/27/609281327.db2.gz ZAZAIJLKNXWSJF-UHFFFAOYSA-N -1 3 388.403 3.998 20 0 GHADHM Cc1nc2cc(NCc3ccc(-c4nn[n-]n4)cc3OC(F)F)ccc2s1 ZINC000826329336 609281329 /nfs/dbraw/zinc/28/13/29/609281329.db2.gz ZAZAIJLKNXWSJF-UHFFFAOYSA-N -1 3 388.403 3.998 20 0 GHADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825954169 609282950 /nfs/dbraw/zinc/28/29/50/609282950.db2.gz YBHLMZCXGVDAHD-UHFFFAOYSA-N -1 3 399.323 3.517 20 0 GHADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825954169 609282952 /nfs/dbraw/zinc/28/29/52/609282952.db2.gz YBHLMZCXGVDAHD-UHFFFAOYSA-N -1 3 399.323 3.517 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826190251 609286693 /nfs/dbraw/zinc/28/66/93/609286693.db2.gz VLLUZDXGLISSHF-KRWDZBQOSA-N -1 3 383.839 3.506 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826190251 609286694 /nfs/dbraw/zinc/28/66/94/609286694.db2.gz VLLUZDXGLISSHF-KRWDZBQOSA-N -1 3 383.839 3.506 20 0 GHADHM Cc1nc2cc(NC(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328457 609287794 /nfs/dbraw/zinc/28/77/94/609287794.db2.gz RMIWOWQWHQYAAP-UHFFFAOYSA-N -1 3 394.460 3.581 20 0 GHADHM Cc1nc2cc(NC(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328457 609287795 /nfs/dbraw/zinc/28/77/95/609287795.db2.gz RMIWOWQWHQYAAP-UHFFFAOYSA-N -1 3 394.460 3.581 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000826472592 609292996 /nfs/dbraw/zinc/29/29/96/609292996.db2.gz PKJQOBDNISXTGK-UHFFFAOYSA-N -1 3 385.830 3.712 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000826472592 609292997 /nfs/dbraw/zinc/29/29/97/609292997.db2.gz PKJQOBDNISXTGK-UHFFFAOYSA-N -1 3 385.830 3.712 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000826473092 609298908 /nfs/dbraw/zinc/29/89/08/609298908.db2.gz KFJSXLNNFWVRAE-KRWDZBQOSA-N -1 3 382.855 3.673 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000826473092 609298911 /nfs/dbraw/zinc/29/89/11/609298911.db2.gz KFJSXLNNFWVRAE-KRWDZBQOSA-N -1 3 382.855 3.673 20 0 GHADHM Cn1cc(C=Cc2ccc3cccc(O)c3n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359241 609307794 /nfs/dbraw/zinc/30/77/94/609307794.db2.gz ARBAWCRSWBBMBO-ZRDIBKRKSA-N -1 3 395.426 3.691 20 0 GHADHM Cn1cc(C=Cc2ccc3cccc(O)c3n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359241 609307796 /nfs/dbraw/zinc/30/77/96/609307796.db2.gz ARBAWCRSWBBMBO-ZRDIBKRKSA-N -1 3 395.426 3.691 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826228338 609320769 /nfs/dbraw/zinc/32/07/69/609320769.db2.gz LZWNTLSHBMIVMR-ZDUSSCGKSA-N -1 3 383.477 3.530 20 0 GHADHM CSCC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826228338 609320770 /nfs/dbraw/zinc/32/07/70/609320770.db2.gz LZWNTLSHBMIVMR-ZDUSSCGKSA-N -1 3 383.477 3.530 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2cccs2)n1 ZINC000823821328 609326564 /nfs/dbraw/zinc/32/65/64/609326564.db2.gz SSQFNUISWXBPBF-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2cccs2)n1 ZINC000823821328 609326566 /nfs/dbraw/zinc/32/65/66/609326566.db2.gz SSQFNUISWXBPBF-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000826265448 609350405 /nfs/dbraw/zinc/35/04/05/609350405.db2.gz ZKXOFLRDJCBCHB-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000826265448 609350407 /nfs/dbraw/zinc/35/04/07/609350407.db2.gz ZKXOFLRDJCBCHB-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826408650 609350681 /nfs/dbraw/zinc/35/06/81/609350681.db2.gz PLYBOVJTKGPQJM-FQEVSTJZSA-N -1 3 375.476 3.847 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826408650 609350683 /nfs/dbraw/zinc/35/06/83/609350683.db2.gz PLYBOVJTKGPQJM-FQEVSTJZSA-N -1 3 375.476 3.847 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826328355 609366778 /nfs/dbraw/zinc/36/67/78/609366778.db2.gz OJMIJMQHGCOLBO-JTQLQIEISA-N -1 3 379.449 3.668 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826328355 609366780 /nfs/dbraw/zinc/36/67/80/609366780.db2.gz OJMIJMQHGCOLBO-JTQLQIEISA-N -1 3 379.449 3.668 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000826116543 609376501 /nfs/dbraw/zinc/37/65/01/609376501.db2.gz AQSMSTADCOYFBC-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000826116543 609376503 /nfs/dbraw/zinc/37/65/03/609376503.db2.gz AQSMSTADCOYFBC-ZDUSSCGKSA-N -1 3 396.259 3.575 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000826254829 609402036 /nfs/dbraw/zinc/40/20/36/609402036.db2.gz CAETVFCSKBHDCQ-FZKQIMNGSA-N -1 3 395.438 3.788 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000826254829 609402038 /nfs/dbraw/zinc/40/20/38/609402038.db2.gz CAETVFCSKBHDCQ-FZKQIMNGSA-N -1 3 395.438 3.788 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000826245992 609406156 /nfs/dbraw/zinc/40/61/56/609406156.db2.gz OEPXXRVVKYYYOY-QGZVFWFLSA-N -1 3 393.344 3.522 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000826245992 609406158 /nfs/dbraw/zinc/40/61/58/609406158.db2.gz OEPXXRVVKYYYOY-QGZVFWFLSA-N -1 3 393.344 3.522 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457707 609419929 /nfs/dbraw/zinc/41/99/29/609419929.db2.gz MNZVGRDXCHOYGG-UHFFFAOYSA-N -1 3 376.445 3.739 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457707 609419933 /nfs/dbraw/zinc/41/99/33/609419933.db2.gz MNZVGRDXCHOYGG-UHFFFAOYSA-N -1 3 376.445 3.739 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F)C(C)C ZINC000825300692 609480350 /nfs/dbraw/zinc/48/03/50/609480350.db2.gz CVUWOKPRXRYLKC-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F)C(C)C ZINC000825300692 609480351 /nfs/dbraw/zinc/48/03/51/609480351.db2.gz CVUWOKPRXRYLKC-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM C[C@@H]1C[C@H](CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824885861 609482694 /nfs/dbraw/zinc/48/26/94/609482694.db2.gz UICDGUAAFCFVRV-HUUCEWRRSA-N -1 3 397.454 3.812 20 0 GHADHM C[C@@H]1C[C@H](CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824885861 609482695 /nfs/dbraw/zinc/48/26/95/609482695.db2.gz UICDGUAAFCFVRV-HUUCEWRRSA-N -1 3 397.454 3.812 20 0 GHADHM C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824892115 609482754 /nfs/dbraw/zinc/48/27/54/609482754.db2.gz DQXMPMCANFWCPD-GUYCJALGSA-N -1 3 383.427 3.564 20 0 GHADHM C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824892115 609482756 /nfs/dbraw/zinc/48/27/56/609482756.db2.gz DQXMPMCANFWCPD-GUYCJALGSA-N -1 3 383.427 3.564 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C\c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000825553164 609488370 /nfs/dbraw/zinc/48/83/70/609488370.db2.gz KIZGXRZMKZQMJN-ARJAWSKDSA-N -1 3 382.399 3.700 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C\c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000825553164 609488372 /nfs/dbraw/zinc/48/83/72/609488372.db2.gz KIZGXRZMKZQMJN-ARJAWSKDSA-N -1 3 382.399 3.700 20 0 GHADHM Cc1ccc([C@@H]2CCN(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)C2)cc1 ZINC000826285821 609495579 /nfs/dbraw/zinc/49/55/79/609495579.db2.gz KRPVFWINPHYZCV-MRXNPFEDSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1ccc([C@@H]2CCN(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)C2)cc1 ZINC000826285821 609495581 /nfs/dbraw/zinc/49/55/81/609495581.db2.gz KRPVFWINPHYZCV-MRXNPFEDSA-N -1 3 393.495 3.753 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825182651 609525208 /nfs/dbraw/zinc/52/52/08/609525208.db2.gz LKVGAWMDKVPCFI-ROUUACIJSA-N -1 3 391.475 3.605 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825182651 609525211 /nfs/dbraw/zinc/52/52/11/609525211.db2.gz LKVGAWMDKVPCFI-ROUUACIJSA-N -1 3 391.475 3.605 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(OC(F)F)c2)c1-c1nnn[n-]1 ZINC000826238617 609534191 /nfs/dbraw/zinc/53/41/91/609534191.db2.gz KVGVJOBJNPSKLP-VIFPVBQESA-N -1 3 380.786 3.998 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(OC(F)F)c2)c1-c1nn[n-]n1 ZINC000826238617 609534192 /nfs/dbraw/zinc/53/41/92/609534192.db2.gz KVGVJOBJNPSKLP-VIFPVBQESA-N -1 3 380.786 3.998 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCC2 ZINC000826328302 609565272 /nfs/dbraw/zinc/56/52/72/609565272.db2.gz MVCXLRPLTQXTAF-JTQLQIEISA-N -1 3 381.387 3.535 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCC2 ZINC000826328302 609565274 /nfs/dbraw/zinc/56/52/74/609565274.db2.gz MVCXLRPLTQXTAF-JTQLQIEISA-N -1 3 381.387 3.535 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826238521 609566739 /nfs/dbraw/zinc/56/67/39/609566739.db2.gz IPICFUHGJMMVBX-CLAHSXSESA-N -1 3 397.241 3.550 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826238521 609566741 /nfs/dbraw/zinc/56/67/41/609566741.db2.gz IPICFUHGJMMVBX-CLAHSXSESA-N -1 3 397.241 3.550 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1-c1nnn[n-]1 ZINC000826311126 609572309 /nfs/dbraw/zinc/57/23/09/609572309.db2.gz UPDFYXSLQCTLLA-QGZVFWFLSA-N -1 3 388.479 3.842 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1-c1nn[n-]n1 ZINC000826311126 609572312 /nfs/dbraw/zinc/57/23/12/609572312.db2.gz UPDFYXSLQCTLLA-QGZVFWFLSA-N -1 3 388.479 3.842 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2ccccc2Br)c1-c1nnn[n-]1 ZINC000826311273 609574104 /nfs/dbraw/zinc/57/41/04/609574104.db2.gz ZHXMULSCVZHRDX-CQSZACIVSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2ccccc2Br)c1-c1nn[n-]n1 ZINC000826311273 609574105 /nfs/dbraw/zinc/57/41/05/609574105.db2.gz ZHXMULSCVZHRDX-CQSZACIVSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cccc1-c1nnn[n-]1 ZINC000826242391 609579180 /nfs/dbraw/zinc/57/91/80/609579180.db2.gz MVZWBJNTRUCQQV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cccc1-c1nn[n-]n1 ZINC000826242391 609579182 /nfs/dbraw/zinc/57/91/82/609579182.db2.gz MVZWBJNTRUCQQV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cccc2c(CC(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)c[nH]c21 ZINC000826304383 609618603 /nfs/dbraw/zinc/61/86/03/609618603.db2.gz JICRPDKINOJNJW-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1cccc2c(CC(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)c[nH]c21 ZINC000826304383 609618604 /nfs/dbraw/zinc/61/86/04/609618604.db2.gz JICRPDKINOJNJW-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164901871 721498218 /nfs/dbraw/zinc/49/82/18/721498218.db2.gz WSWVBGRAHMUGOM-RWMBFGLXSA-N -1 3 389.899 3.995 20 0 GHADHM CCOc1cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc(Cl)c1[O-] ZINC000186814105 837416252 /nfs/dbraw/zinc/41/62/52/837416252.db2.gz AIFKNBZCIDIFDG-UHFFFAOYSA-N -1 3 380.847 3.575 20 0 GHADHM CCO[C@@H](C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000683545383 837479429 /nfs/dbraw/zinc/47/94/29/837479429.db2.gz ITJHZLDATDVRKI-FQEVSTJZSA-N -1 3 386.473 3.539 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000176152798 837503404 /nfs/dbraw/zinc/50/34/04/837503404.db2.gz GMGCYVHNERGNEN-UHFFFAOYSA-N -1 3 394.302 3.881 20 0 GHADHM CC(=O)c1sc2[n-]c(CSc3nc4nc(C)ccc4o3)nc(=O)c2c1C ZINC000544093185 837519824 /nfs/dbraw/zinc/51/98/24/837519824.db2.gz DGLVVTPESHEQSG-UHFFFAOYSA-N -1 3 386.458 3.633 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000414387714 837585089 /nfs/dbraw/zinc/58/50/89/837585089.db2.gz ZEEDLJMMHZMYOW-MRXNPFEDSA-N -1 3 380.897 3.834 20 0 GHADHM CCC[C@@H](OC)c1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000924080879 837593628 /nfs/dbraw/zinc/59/36/28/837593628.db2.gz CMLUOVHFSWPQOO-CVEARBPZSA-N -1 3 381.498 3.541 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)sc1C ZINC000173225770 837602637 /nfs/dbraw/zinc/60/26/37/837602637.db2.gz URXWJAHPPYHPMR-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ncccc1OCC(F)(F)F ZINC000177050318 837718175 /nfs/dbraw/zinc/71/81/75/837718175.db2.gz AKESOCLDBCORIQ-UHFFFAOYSA-N -1 3 394.378 3.717 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)OC)c2)cc1 ZINC000414398039 837726898 /nfs/dbraw/zinc/72/68/98/837726898.db2.gz STRALKIGEDLKEP-CQSZACIVSA-N -1 3 377.462 3.553 20 0 GHADHM CCc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cnn1C1CCCC1 ZINC000784910707 834554624 /nfs/dbraw/zinc/55/46/24/834554624.db2.gz ZHDKQCDWSHPZAC-UHFFFAOYSA-N -1 3 382.420 3.673 20 0 GHADHM O=c1[n-]c([C@H]2CCCN(CCCCOc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000583529056 834574339 /nfs/dbraw/zinc/57/43/39/834574339.db2.gz WUVDYHWCFNSNGE-ZDUSSCGKSA-N -1 3 384.402 3.568 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CC)c2)cc1 ZINC000301317021 834624053 /nfs/dbraw/zinc/62/40/53/834624053.db2.gz XPBOENGHZJMTTA-HNNXBMFYSA-N -1 3 390.505 3.723 20 0 GHADHM COCCOC(=O)c1sc2[n-]c(CSc3ccoc3C)nc(=O)c2c1C ZINC000274714449 834796999 /nfs/dbraw/zinc/79/69/99/834796999.db2.gz BKRMVVMCGUSAHJ-UHFFFAOYSA-N -1 3 394.474 3.702 20 0 GHADHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725831192 834831424 /nfs/dbraw/zinc/83/14/24/834831424.db2.gz LMZZZYGPZCHSEI-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCC2CCCC2)CC1 ZINC000047013945 834870224 /nfs/dbraw/zinc/87/02/24/834870224.db2.gz NIZXUQGDCGKSBY-UHFFFAOYSA-N -1 3 379.888 3.596 20 0 GHADHM CCN(C(=O)Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1)c1ccccc1 ZINC000274736530 834912620 /nfs/dbraw/zinc/91/26/20/834912620.db2.gz DFJIIOWGLOVJHC-NRFANRHFSA-N -1 3 397.475 3.862 20 0 GHADHM CCN(C(=O)Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1)c1ccccc1 ZINC000274736530 834912630 /nfs/dbraw/zinc/91/26/30/834912630.db2.gz DFJIIOWGLOVJHC-NRFANRHFSA-N -1 3 397.475 3.862 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000472299651 834913015 /nfs/dbraw/zinc/91/30/15/834913015.db2.gz OULWAUBWFZKOMF-SNVBAGLBSA-N -1 3 381.429 3.600 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458650009 834924015 /nfs/dbraw/zinc/92/40/15/834924015.db2.gz HVJONRQYEMNLMB-LBPRGKRZSA-N -1 3 391.756 3.567 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128969228 834935612 /nfs/dbraw/zinc/93/56/12/834935612.db2.gz BKMIIZNUDFSSRG-DIFFPNOSSA-N -1 3 378.831 3.968 20 0 GHADHM CC[C@@H]1CCc2c(sc3[n-]c(CS(=O)(=O)c4ccccc4)nc(=O)c23)C1 ZINC000685189902 834940037 /nfs/dbraw/zinc/94/00/37/834940037.db2.gz WHKVKNSERYBPRN-GFCCVEGCSA-N -1 3 388.514 3.886 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CCC[C@H]1F ZINC000583745036 834977326 /nfs/dbraw/zinc/97/73/26/834977326.db2.gz BXFDAYDACCHDTI-WBVHZDCISA-N -1 3 394.443 3.555 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000607719434 835002271 /nfs/dbraw/zinc/00/22/71/835002271.db2.gz XYVDQFOUGAPPPW-UHFFFAOYSA-N -1 3 377.444 3.992 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(NC([O-])=NO[C@@H]3CCCCO3)ccc21 ZINC000274754912 835012424 /nfs/dbraw/zinc/01/24/24/835012424.db2.gz BZBVYOBIOJYNDV-QGZVFWFLSA-N -1 3 391.468 3.954 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc21 ZINC000274754912 835012436 /nfs/dbraw/zinc/01/24/36/835012436.db2.gz BZBVYOBIOJYNDV-QGZVFWFLSA-N -1 3 391.468 3.954 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CCc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000536157293 835212736 /nfs/dbraw/zinc/21/27/36/835212736.db2.gz IPYMXXFMUWUIJC-UHFFFAOYSA-N -1 3 399.950 3.749 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2)cc1OC ZINC000067210507 844030468 /nfs/dbraw/zinc/03/04/68/844030468.db2.gz XHCVCGIVOTXDRE-QBFSEMIESA-N -1 3 392.452 3.638 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)[n-]1 ZINC000512977474 844050898 /nfs/dbraw/zinc/05/08/98/844050898.db2.gz MSBUSQUOITUTHM-UHFFFAOYSA-N -1 3 392.440 3.968 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc4c(n3)CCCC4)cc2)cc(=O)[n-]1 ZINC000584031668 835474813 /nfs/dbraw/zinc/47/48/13/835474813.db2.gz VMKAUFPFWSXUKB-UHFFFAOYSA-N -1 3 389.459 3.753 20 0 GHADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151538879 835502426 /nfs/dbraw/zinc/50/24/26/835502426.db2.gz QJZOSDJQMFRGCA-VIFPVBQESA-N -1 3 386.192 3.517 20 0 GHADHM COc1cc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)cc(OC)c1[O-] ZINC000655324729 835532334 /nfs/dbraw/zinc/53/23/34/835532334.db2.gz LLVXEEPUDNZVBD-UHFFFAOYSA-N -1 3 397.349 3.727 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2c(C)noc2C)sc1Br ZINC000158765211 835533118 /nfs/dbraw/zinc/53/31/18/835533118.db2.gz HEVKCIARYABXJI-MRVPVSSYSA-N -1 3 393.328 3.506 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@H](c1ccccc1)N(C)C ZINC000584071597 835545475 /nfs/dbraw/zinc/54/54/75/835545475.db2.gz MISQIQKIFBVDJQ-SWLSCSKDSA-N -1 3 387.534 3.501 20 0 GHADHM COC(=O)CCc1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000134423319 835590631 /nfs/dbraw/zinc/59/06/31/835590631.db2.gz PKQDAEUCABWMQT-UHFFFAOYSA-N -1 3 391.836 3.809 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(F)cc1F ZINC000512990199 844077759 /nfs/dbraw/zinc/07/77/59/844077759.db2.gz CONSTOHKUKANRJ-KSSFIOAISA-N -1 3 381.444 3.719 20 0 GHADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1 ZINC000134451869 835729035 /nfs/dbraw/zinc/72/90/35/835729035.db2.gz FGYWANIAJOMMAE-LLVKDONJSA-N -1 3 394.880 3.813 20 0 GHADHM CCc1cc(=O)[n-]c(CN(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)n1 ZINC000154558012 835742977 /nfs/dbraw/zinc/74/29/77/835742977.db2.gz YUUVSLFCSBYKJV-UHFFFAOYSA-N -1 3 387.871 3.859 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1[O-] ZINC000655409893 835771732 /nfs/dbraw/zinc/77/17/32/835771732.db2.gz KZTCTIZWLRMAIH-UHFFFAOYSA-N -1 3 375.428 3.558 20 0 GHADHM COc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1NC(=O)OC(C)(C)C ZINC000274903762 835795651 /nfs/dbraw/zinc/79/56/51/835795651.db2.gz LTPUWEJZIFKFJB-OAHLLOKOSA-N -1 3 381.429 3.622 20 0 GHADHM COc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1NC(=O)OC(C)(C)C ZINC000274903762 835795660 /nfs/dbraw/zinc/79/56/60/835795660.db2.gz LTPUWEJZIFKFJB-OAHLLOKOSA-N -1 3 381.429 3.622 20 0 GHADHM COc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1NC(=O)OC(C)(C)C ZINC000274966099 835860427 /nfs/dbraw/zinc/86/04/27/835860427.db2.gz XIACULZLZDCSMO-HNNXBMFYSA-N -1 3 381.429 3.622 20 0 GHADHM COc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1NC(=O)OC(C)(C)C ZINC000274966099 835860436 /nfs/dbraw/zinc/86/04/36/835860436.db2.gz XIACULZLZDCSMO-HNNXBMFYSA-N -1 3 381.429 3.622 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)[nH][n-]1 ZINC000547745899 835981347 /nfs/dbraw/zinc/98/13/47/835981347.db2.gz YZPWFKQRWNYABJ-BXUZGUMPSA-N -1 3 389.883 3.741 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151045454 836046752 /nfs/dbraw/zinc/04/67/52/836046752.db2.gz RTPSKEQKNIZHGB-GHMZBOCLSA-N -1 3 382.844 3.593 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000177180729 836053020 /nfs/dbraw/zinc/05/30/20/836053020.db2.gz YTGALVBPJBBATM-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000038630743 836079101 /nfs/dbraw/zinc/07/91/01/836079101.db2.gz GPVIHJMNCKFTPQ-LBPRGKRZSA-N -1 3 379.334 3.636 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1csc2ccccc21 ZINC000509887936 844124457 /nfs/dbraw/zinc/12/44/57/844124457.db2.gz TWAMRTKBOKWNJK-UHFFFAOYSA-N -1 3 398.303 3.848 20 0 GHADHM Cc1ccccc1-c1csc([N-]c2ncnc3c2cnn3-c2ncccn2)n1 ZINC000163295566 836102230 /nfs/dbraw/zinc/10/22/30/836102230.db2.gz VIRXNHGLDOASCF-UHFFFAOYSA-N -1 3 386.444 3.781 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000509879397 844127575 /nfs/dbraw/zinc/12/75/75/844127575.db2.gz RAEGZXBZYLFQJT-UHFFFAOYSA-N -1 3 385.835 3.844 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cscc1Br)c1c(C)noc1C ZINC000632147823 836118944 /nfs/dbraw/zinc/11/89/44/836118944.db2.gz CFPQWFZZSKJLIT-JTQLQIEISA-N -1 3 379.301 3.545 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC[C@@H]1O ZINC000509894665 844144719 /nfs/dbraw/zinc/14/47/19/844144719.db2.gz PPBUJXZMNWWLIH-UONOGXRCSA-N -1 3 385.835 3.578 20 0 GHADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3[O-])cc2)c1 ZINC000443558299 836303373 /nfs/dbraw/zinc/30/33/73/836303373.db2.gz KJXGOQAZESXGNS-UHFFFAOYSA-N -1 3 377.396 3.893 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(F)c(F)cc1Br ZINC000636354139 836366115 /nfs/dbraw/zinc/36/61/15/836366115.db2.gz IOABVIFBOMZJSU-JTQLQIEISA-N -1 3 390.209 3.683 20 0 GHADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000473313184 844174582 /nfs/dbraw/zinc/17/45/82/844174582.db2.gz DKWYZZGPEDWBJW-UHFFFAOYSA-N -1 3 387.911 3.965 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Br)c(F)c1 ZINC000174716845 836542110 /nfs/dbraw/zinc/54/21/10/836542110.db2.gz IUUGFBJPTVNHOZ-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000175130509 836678781 /nfs/dbraw/zinc/67/87/81/836678781.db2.gz YJANGOFBIDKUMH-CABCVRRESA-N -1 3 390.480 3.887 20 0 GHADHM CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000023861764 836790058 /nfs/dbraw/zinc/79/00/58/836790058.db2.gz KYYUOGUHCHHDLV-UHFFFAOYSA-N -1 3 385.121 3.680 20 0 GHADHM Cc1ccc([C@@H](NC(=O)c2ccccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000175335223 836795992 /nfs/dbraw/zinc/79/59/92/836795992.db2.gz TUTVQIYBOSCRAE-OAQYLSRUSA-N -1 3 395.480 3.624 20 0 GHADHM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000175449573 836830322 /nfs/dbraw/zinc/83/03/22/836830322.db2.gz HMJLLDNPVOHAKO-MUUNZHRXSA-N -1 3 393.508 3.993 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000685903295 836972929 /nfs/dbraw/zinc/97/29/29/836972929.db2.gz SLQRNNNKKGFPRM-UHFFFAOYSA-N -1 3 397.378 3.701 20 0 GHADHM COc1cc(C)c([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC000120176320 837019644 /nfs/dbraw/zinc/01/96/44/837019644.db2.gz VFICXQHQRSLMKB-CYBMUJFWSA-N -1 3 393.443 3.846 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccccc1F)CC1CC1 ZINC001167247349 837029091 /nfs/dbraw/zinc/02/90/91/837029091.db2.gz XLKPMVZYBXOKCQ-UHFFFAOYSA-N -1 3 386.373 3.998 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000186169305 837075212 /nfs/dbraw/zinc/07/52/12/837075212.db2.gz NSKQJESCRNGCTE-UHFFFAOYSA-N -1 3 391.427 3.530 20 0 GHADHM CC(C)(C)N(c1ccc([O-])c(C(F)(F)F)c1)S(=O)(=O)c1cccc(N)c1 ZINC001209985622 837076145 /nfs/dbraw/zinc/07/61/45/837076145.db2.gz HDBCZIOZIXIPJO-UHFFFAOYSA-N -1 3 388.411 3.987 20 0 GHADHM COc1ccc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4ccccc4F)n3)s2)cc1 ZINC000175971756 837093663 /nfs/dbraw/zinc/09/36/63/837093663.db2.gz YKPKJAPPEZBLHZ-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM O=C(c1cccc2n[n-]nc21)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000683423378 837101482 /nfs/dbraw/zinc/10/14/82/837101482.db2.gz MGPJTXPQIOSNJM-UHFFFAOYSA-N -1 3 383.249 3.803 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)cc1F ZINC000066306647 837110506 /nfs/dbraw/zinc/11/05/06/837110506.db2.gz KPAAZZQGXGZUSP-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000414024115 837157610 /nfs/dbraw/zinc/15/76/10/837157610.db2.gz WNXUNTBVYFSEHO-OAHLLOKOSA-N -1 3 384.476 3.502 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000613153884 837321920 /nfs/dbraw/zinc/32/19/20/837321920.db2.gz GGLSXRQWMRUKFS-QGZVFWFLSA-N -1 3 395.427 3.929 20 0 GHADHM C[C@H](SC[C@H]1COCCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000419356762 844259594 /nfs/dbraw/zinc/25/95/94/844259594.db2.gz HZQULFCMEHAFMO-WDEREUQCSA-N -1 3 378.475 3.867 20 0 GHADHM CC[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)CC(F)(F)F ZINC000413387212 837853766 /nfs/dbraw/zinc/85/37/66/837853766.db2.gz NGXJUWCYEVBQGR-VIFPVBQESA-N -1 3 383.208 3.933 20 0 GHADHM CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000177395973 837937855 /nfs/dbraw/zinc/93/78/55/837937855.db2.gz ABFPLXZLORCIIV-UHFFFAOYSA-N -1 3 382.460 3.515 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000024428160 837943879 /nfs/dbraw/zinc/94/38/79/837943879.db2.gz UNFUMSAPPBLCBU-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000579951307 837992362 /nfs/dbraw/zinc/99/23/62/837992362.db2.gz BZCRHKNHEQTWIJ-UXPWSPDFSA-N -1 3 386.536 3.690 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccccc4)CC3)nc2)n1 ZINC000377987574 838246994 /nfs/dbraw/zinc/24/69/94/838246994.db2.gz COHYPRHXQHJQNN-UHFFFAOYSA-N -1 3 376.460 3.854 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000181920104 838307100 /nfs/dbraw/zinc/30/71/00/838307100.db2.gz BWAYZNDEZDBDJM-WMLDXEAASA-N -1 3 399.329 3.938 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000626206808 838452370 /nfs/dbraw/zinc/45/23/70/838452370.db2.gz YCTPCSMSPLRSQM-UHFFFAOYSA-N -1 3 386.517 3.919 20 0 GHADHM C[C@](CO)([N-]C(=O)C(F)(F)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001167335110 838488118 /nfs/dbraw/zinc/48/81/18/838488118.db2.gz VARSYTPUZDJNBF-QGZVFWFLSA-N -1 3 387.348 3.907 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000683764426 838610425 /nfs/dbraw/zinc/61/04/25/838610425.db2.gz GGSLEPFLJCCHAV-LURJTMIESA-N -1 3 388.795 3.994 20 0 GHADHM COc1ncc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000659797318 838679477 /nfs/dbraw/zinc/67/94/77/838679477.db2.gz SEBXXALVWFFQHO-CABCVRRESA-N -1 3 381.259 3.697 20 0 GHADHM Cc1ccc(-c2noc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccc(Cl)cc4)C3)n2)cc1 ZINC000659798198 838681340 /nfs/dbraw/zinc/68/13/40/838681340.db2.gz YKVGCIVHIZORKG-MSOLQXFVSA-N -1 3 397.862 3.999 20 0 GHADHM C[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097719 838711348 /nfs/dbraw/zinc/71/13/48/838711348.db2.gz CQJRMIJKWYXZGH-WCFLWFBJSA-N -1 3 397.306 3.799 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2c(cncc2Cl)s1 ZINC000891192069 838714320 /nfs/dbraw/zinc/71/43/20/838714320.db2.gz PROOLPOKSSJWJG-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(O)cc1 ZINC000182618216 838757870 /nfs/dbraw/zinc/75/78/70/838757870.db2.gz TWPCMFBXZNYBIN-HXUWFJFHSA-N -1 3 376.412 3.598 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Br)s1 ZINC000781828346 838787183 /nfs/dbraw/zinc/78/71/83/838787183.db2.gz DFXPENPAFSSAKX-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM CN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182870691 838835945 /nfs/dbraw/zinc/83/59/45/838835945.db2.gz YCNMYBFCGLJCLO-JOCHJYFZSA-N -1 3 388.467 3.912 20 0 GHADHM COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000182877615 838838025 /nfs/dbraw/zinc/83/80/25/838838025.db2.gz KBVJXLAISWSWDR-OAQYLSRUSA-N -1 3 390.439 3.901 20 0 GHADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC000893204268 838867246 /nfs/dbraw/zinc/86/72/46/838867246.db2.gz IOHLOXIKKOULQW-UHFFFAOYSA-N -1 3 388.638 3.501 20 0 GHADHM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)NCc1ncccc1[O-] ZINC000471540781 838868158 /nfs/dbraw/zinc/86/81/58/838868158.db2.gz VRHBQUAGROLBQU-UHFFFAOYSA-N -1 3 380.429 3.656 20 0 GHADHM O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCCc2c(=O)[n-]cnc21 ZINC000893212655 838927047 /nfs/dbraw/zinc/92/70/47/838927047.db2.gz KQAQONGRYHMVPA-UHFFFAOYSA-N -1 3 380.835 3.854 20 0 GHADHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cc(F)c([O-])c(F)c1 ZINC000183581957 839005472 /nfs/dbraw/zinc/00/54/72/839005472.db2.gz QHTCNKWJJYOSBU-UHFFFAOYSA-N -1 3 394.849 3.966 20 0 GHADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC(C)(C)C1 ZINC000458174351 844401916 /nfs/dbraw/zinc/40/19/16/844401916.db2.gz AJXCFKSTQQHZGS-UHFFFAOYSA-N -1 3 390.480 3.887 20 0 GHADHM COc1ccc(N[C@H]2c3cccc(F)c3CC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000182727631 839141189 /nfs/dbraw/zinc/14/11/89/839141189.db2.gz RSEKKYHUYYZJRB-CWTRNNRKSA-N -1 3 378.469 3.941 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000128082323 839215643 /nfs/dbraw/zinc/21/56/43/839215643.db2.gz XKJUVGRSBSFHSM-UHFFFAOYSA-N -1 3 388.387 3.961 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)n1[C@H]1CCCOC1 ZINC000626359559 844419957 /nfs/dbraw/zinc/41/99/57/844419957.db2.gz IIXPIHWZVORQRH-KRWDZBQOSA-N -1 3 378.476 3.829 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1c(Cl)cccc1Br ZINC000314034434 839480980 /nfs/dbraw/zinc/48/09/80/839480980.db2.gz OPMFSRURRFEESL-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1c(Cl)cccc1Br ZINC000314077210 839511125 /nfs/dbraw/zinc/51/11/25/839511125.db2.gz VOLUZWAVMYWYPB-BXUZGUMPSA-N -1 3 386.698 3.937 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C[C@@H]3CCCO3)C(F)(F)F)nc2)n1 ZINC000656224580 839603868 /nfs/dbraw/zinc/60/38/68/839603868.db2.gz MYGVCHTXJVUDPY-UONOGXRCSA-N -1 3 382.386 3.719 20 0 GHADHM CC1(C)CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000129267974 844473909 /nfs/dbraw/zinc/47/39/09/844473909.db2.gz SZFRCTMUUNOZLR-UHFFFAOYSA-N -1 3 377.282 3.989 20 0 GHADHM CCc1cc2oc(=O)cc(CSc3ncc(C(=O)OC)[n-]3)c2cc1Cl ZINC000187595602 840137161 /nfs/dbraw/zinc/13/71/61/840137161.db2.gz ULDPIODEBXMZEM-UHFFFAOYSA-N -1 3 378.837 3.811 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1csc(-c2ccccc2)n1 ZINC000500393804 840360287 /nfs/dbraw/zinc/36/02/87/840360287.db2.gz CITLQLDQENHZMJ-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417019877 840373916 /nfs/dbraw/zinc/37/39/16/840373916.db2.gz RNHLIKIGWFTKLR-OAHLLOKOSA-N -1 3 380.492 3.995 20 0 GHADHM COC(=O)c1c(Br)ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000417026029 840383425 /nfs/dbraw/zinc/38/34/25/840383425.db2.gz LAIAXDKAVDNQBX-UHFFFAOYSA-N -1 3 392.253 3.529 20 0 GHADHM O=C(CC[C@H]1Cc2ccccc2NC1=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160686468 840415245 /nfs/dbraw/zinc/41/52/45/840415245.db2.gz SBXDMRBZLFIWRQ-HNNXBMFYSA-N -1 3 392.377 3.844 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc(OC)c1[O-] ZINC000364009310 840416296 /nfs/dbraw/zinc/41/62/96/840416296.db2.gz CXYDYACVSFVKGU-HNNXBMFYSA-N -1 3 382.416 3.918 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)sc1Cl ZINC000650302213 840559973 /nfs/dbraw/zinc/55/99/73/840559973.db2.gz JGMZEPJMTFOMKH-UHFFFAOYSA-N -1 3 385.938 3.780 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000048244280 840672623 /nfs/dbraw/zinc/67/26/23/840672623.db2.gz GGBYVABJEDDVMY-UHFFFAOYSA-N -1 3 382.869 3.508 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)cc2)cc(=O)[n-]1 ZINC000581114292 840723073 /nfs/dbraw/zinc/72/30/73/840723073.db2.gz OINYZPJOUSMLIO-IRMTXWDGSA-N -1 3 376.460 3.834 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc(F)ccc1F ZINC000610485510 840843758 /nfs/dbraw/zinc/84/37/58/840843758.db2.gz GWGOHBDJVGQUEL-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM Cc1nn(C)c(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1C ZINC000430542447 840936977 /nfs/dbraw/zinc/93/69/77/840936977.db2.gz KIFUMFWITTWYRT-UHFFFAOYSA-N -1 3 388.427 3.923 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)ccc2[nH]1 ZINC000432186198 840965432 /nfs/dbraw/zinc/96/54/32/840965432.db2.gz AGFVREKKTZQZCW-UHFFFAOYSA-N -1 3 393.424 3.516 20 0 GHADHM Cc1cc(Br)c(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])s1 ZINC000417554345 840997989 /nfs/dbraw/zinc/99/79/89/840997989.db2.gz BYQXRQZYSWPGKF-ZDUSSCGKSA-N -1 3 388.258 3.580 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000473031009 841025108 /nfs/dbraw/zinc/02/51/08/841025108.db2.gz HAGJFPQOBBHDTF-SJLPKXTDSA-N -1 3 377.444 3.566 20 0 GHADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000651586905 841043174 /nfs/dbraw/zinc/04/31/74/841043174.db2.gz RQNGLJPTNURILQ-UHFFFAOYSA-N -1 3 378.270 3.559 20 0 GHADHM COC(=O)c1cccc(-c2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cs2)c1 ZINC000584842835 841052120 /nfs/dbraw/zinc/05/21/20/841052120.db2.gz HXIHEAYEKNHZCB-QGZVFWFLSA-N -1 3 388.489 3.816 20 0 GHADHM O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1[O-] ZINC000642323728 841060453 /nfs/dbraw/zinc/06/04/53/841060453.db2.gz NJUSQQUZIZERCI-UHFFFAOYSA-N -1 3 388.221 3.776 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417629313 841069785 /nfs/dbraw/zinc/06/97/85/841069785.db2.gz WXEAQUSDMCRTRV-RBBKRZOGSA-N -1 3 375.472 3.951 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000417626812 841078219 /nfs/dbraw/zinc/07/82/19/841078219.db2.gz RQBQAFUSIIHKDJ-OAHLLOKOSA-N -1 3 395.402 3.890 20 0 GHADHM COc1cccc(C[C@H](CNCc2c(F)cccc2Br)C(=O)[O-])c1 ZINC000417648536 841084605 /nfs/dbraw/zinc/08/46/05/841084605.db2.gz JPDBYRZDYUYRGA-CYBMUJFWSA-N -1 3 396.256 3.630 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(I)ccc1Cl ZINC000162481811 841202074 /nfs/dbraw/zinc/20/20/74/841202074.db2.gz AOGWDRLTJFKSFZ-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(I)ccc1Cl ZINC000162481811 841202082 /nfs/dbraw/zinc/20/20/82/841202082.db2.gz AOGWDRLTJFKSFZ-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@H](C2CC2)C1 ZINC000430598221 841359115 /nfs/dbraw/zinc/35/91/15/841359115.db2.gz RWHQOYIPUYXRRT-JTQLQIEISA-N -1 3 395.684 3.816 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC)c(Cl)cc1Cl ZINC000027338906 841390106 /nfs/dbraw/zinc/39/01/06/841390106.db2.gz RAHVHFDLKFMHCR-GHMZBOCLSA-N -1 3 395.352 3.989 20 0 GHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c(C)c1 ZINC000656572000 841463293 /nfs/dbraw/zinc/46/32/93/841463293.db2.gz GFBJOKLHABLHDW-NRFANRHFSA-N -1 3 379.460 3.885 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(OC)c(F)c3)c2)n1 ZINC000049302343 841504447 /nfs/dbraw/zinc/50/44/47/841504447.db2.gz FDRJWWIHQMSYHN-UHFFFAOYSA-N -1 3 395.434 3.718 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000364261316 841528645 /nfs/dbraw/zinc/52/86/45/841528645.db2.gz WALHOESNSWHMIB-UHFFFAOYSA-N -1 3 393.443 3.693 20 0 GHADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)[N-]OC[C@H]1CCOC1 ZINC000191816271 841606427 /nfs/dbraw/zinc/60/64/27/841606427.db2.gz SBCPICVPGCZIDI-KRWDZBQOSA-N -1 3 375.852 3.546 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc1C(F)(F)F ZINC000656635318 841623175 /nfs/dbraw/zinc/62/31/75/841623175.db2.gz TYGFLXFUTCHYHH-AWEZNQCLSA-N -1 3 383.432 3.655 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CCO[C@@H]3c3ccnn3C(C)C)[nH][n-]2)c1 ZINC000555552079 861222797 /nfs/dbraw/zinc/22/27/97/861222797.db2.gz XAGMNWRESFKGCC-UWJYYQICSA-N -1 3 393.491 3.609 20 0 GHADHM Cc1cccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000022312754 841693681 /nfs/dbraw/zinc/69/36/81/841693681.db2.gz POBJVJGQMDTCBI-UHFFFAOYSA-N -1 3 378.457 3.588 20 0 GHADHM CC(C)CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000045473281 841693714 /nfs/dbraw/zinc/69/37/14/841693714.db2.gz VBDXURJDGOHCLP-UHFFFAOYSA-N -1 3 378.469 3.745 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000684349769 841836460 /nfs/dbraw/zinc/83/64/60/841836460.db2.gz BFQWIKBHHCLQRY-UHFFFAOYSA-N -1 3 379.363 3.860 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000184141456 841850629 /nfs/dbraw/zinc/85/06/29/841850629.db2.gz PSYFZDQYLSGOAH-KCZVDYSFSA-N -1 3 392.499 3.902 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2nc(C)ccc2Br)cc1C ZINC000656738400 841861603 /nfs/dbraw/zinc/86/16/03/841861603.db2.gz UVSYSTQBERVZPU-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccc4ccccc4c3)[n-]c(=O)c12 ZINC000128791040 842056844 /nfs/dbraw/zinc/05/68/44/842056844.db2.gz HDLPWNWUDSBTLX-UHFFFAOYSA-N -1 3 391.452 3.859 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCc3ccccc3[C@H]1Cc1ccccc1)c2[O-] ZINC000512002848 842087505 /nfs/dbraw/zinc/08/75/05/842087505.db2.gz UKEDMBJGPNKVTB-OAQYLSRUSA-N -1 3 398.466 3.656 20 0 GHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccccc1OCc1ccccc1 ZINC000471713905 842234477 /nfs/dbraw/zinc/23/44/77/842234477.db2.gz HQRHPLGUEGNXDD-MRXNPFEDSA-N -1 3 377.444 3.927 20 0 GHADHM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000070887602 842321925 /nfs/dbraw/zinc/32/19/25/842321925.db2.gz VUWIDAZAGUIAOY-UHFFFAOYSA-N -1 3 395.271 3.885 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C2CC2)CC1 ZINC000184285128 842329570 /nfs/dbraw/zinc/32/95/70/842329570.db2.gz UCUDKHJFEGTWCQ-FQEVSTJZSA-N -1 3 378.472 3.560 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1ccc(COCc3ccccc3)cc1)c2[O-] ZINC000512065487 842391820 /nfs/dbraw/zinc/39/18/20/842391820.db2.gz YZCSOGCVZYMTMF-UHFFFAOYSA-N -1 3 388.427 3.643 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3nc4c(cccc4OC)s3)no2)c1 ZINC000471781825 842495384 /nfs/dbraw/zinc/49/53/84/842495384.db2.gz RWDTUDDGWJSTEJ-UHFFFAOYSA-N -1 3 382.401 3.616 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000652431519 842524413 /nfs/dbraw/zinc/52/44/13/842524413.db2.gz VHHIDLNITWDMOC-HXPMCKFVSA-N -1 3 377.387 3.597 20 0 GHADHM COc1cccc(-c2nc(CN(CCC(=O)[O-])CC3CC3)cs2)c1OC ZINC000652468736 842591723 /nfs/dbraw/zinc/59/17/23/842591723.db2.gz PTBSRZUKNMULFP-UHFFFAOYSA-N -1 3 376.478 3.514 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1c(Cl)cccc1Cl ZINC000657028601 842652390 /nfs/dbraw/zinc/65/23/90/842652390.db2.gz WYNVKIBBVQYCDP-VIFPVBQESA-N -1 3 386.247 3.531 20 0 GHADHM CN1CC[C@H](NC(=O)/C(C#N)=C/c2ccc([O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000248732059 842700284 /nfs/dbraw/zinc/70/02/84/842700284.db2.gz LYNSMSUBGDNNDV-XRHIAGSSSA-N -1 3 381.863 3.514 20 0 GHADHM COC(=O)c1sc2[n-]c(CC(=O)c3cc4ccccc4s3)nc(=O)c2c1C ZINC000432501100 842717199 /nfs/dbraw/zinc/71/71/99/842717199.db2.gz PAZSMSWNNHHUQR-UHFFFAOYSA-N -1 3 398.465 3.720 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512172092 842725471 /nfs/dbraw/zinc/72/54/71/842725471.db2.gz VQXKWYCHECKRDM-AWEZNQCLSA-N -1 3 379.464 3.613 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000184463541 842774982 /nfs/dbraw/zinc/77/49/82/842774982.db2.gz TWTDZEBUKMZMMX-AWEZNQCLSA-N -1 3 376.859 3.921 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc(Cl)ccc1Cl ZINC000187065418 842861296 /nfs/dbraw/zinc/86/12/96/842861296.db2.gz ONTCYJNMDRBWDA-QMMMGPOBSA-N -1 3 378.215 3.760 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1ccc(Br)s1 ZINC000021178755 842875115 /nfs/dbraw/zinc/87/51/15/842875115.db2.gz RMDIKPCHJNWION-UHFFFAOYSA-N -1 3 398.250 3.591 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000663250142 842891006 /nfs/dbraw/zinc/89/10/06/842891006.db2.gz OIHFUBCHYLHABA-SNVBAGLBSA-N -1 3 386.395 3.754 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(C)ccc3C)n2)cc1 ZINC000471887710 843255614 /nfs/dbraw/zinc/25/56/14/843255614.db2.gz XBXNUQOKEYQTEI-HNNXBMFYSA-N -1 3 385.489 3.955 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)cc3C)n2)cc1F ZINC000471892669 843293763 /nfs/dbraw/zinc/29/37/63/843293763.db2.gz KTXSXGAOUBBYSM-GFCCVEGCSA-N -1 3 393.415 3.671 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(F)c3C)n2)cc1F ZINC000471894057 843299817 /nfs/dbraw/zinc/29/98/17/843299817.db2.gz WLMSHNDSGPXOTA-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM COc1cc(C)c([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000186759235 861415199 /nfs/dbraw/zinc/41/51/99/861415199.db2.gz MMWVUAQPCFWGFZ-MRXNPFEDSA-N -1 3 382.460 3.726 20 0 GHADHM C[C@@H](CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)CC(C)(C)C ZINC001211525755 843436502 /nfs/dbraw/zinc/43/65/02/843436502.db2.gz CZEBWLGLZSEART-ZAMGYDSWSA-N -1 3 378.535 3.579 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1 ZINC000512338958 843447811 /nfs/dbraw/zinc/44/78/11/843447811.db2.gz YMPYNZZQXXXKOX-UHFFFAOYSA-N -1 3 377.444 3.807 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 ZINC000108074118 843455337 /nfs/dbraw/zinc/45/53/37/843455337.db2.gz AFBNBKBEJPWSDD-CHWSQXEVSA-N -1 3 398.887 3.894 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1 ZINC000279900163 843463610 /nfs/dbraw/zinc/46/36/10/843463610.db2.gz QFRHPQLXFWBXQI-UHFFFAOYSA-N -1 3 375.494 3.842 20 0 GHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1csc(-c2ccccc2)n1 ZINC000500444719 843595311 /nfs/dbraw/zinc/59/53/11/843595311.db2.gz BMEWRMKVGBIEDW-UHFFFAOYSA-N -1 3 395.509 3.879 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000500683881 843826109 /nfs/dbraw/zinc/82/61/09/843826109.db2.gz OCTNYNXKHCEBOM-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000500683881 843826113 /nfs/dbraw/zinc/82/61/13/843826113.db2.gz OCTNYNXKHCEBOM-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1Br ZINC000431185469 843843442 /nfs/dbraw/zinc/84/34/42/843843442.db2.gz YFYHBUXDCVQCPX-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)Oc2ccc(C)cc2)[nH][n-]1 ZINC000512836585 843870676 /nfs/dbraw/zinc/87/06/76/843870676.db2.gz ZYAMDEGQJRQWTM-CYBMUJFWSA-N -1 3 385.851 3.875 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1Br ZINC000429894688 843905970 /nfs/dbraw/zinc/90/59/70/843905970.db2.gz FIMGIEVXOKJIPP-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@@H]1CCSC1 ZINC000474929556 861472122 /nfs/dbraw/zinc/47/21/22/861472122.db2.gz UKBXFUCCNBMQNJ-MRVPVSSYSA-N -1 3 386.702 3.606 20 0 GHADHM Cc1nc(C)c(Cc2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)c(=O)[n-]1 ZINC000349642425 861476356 /nfs/dbraw/zinc/47/63/56/861476356.db2.gz PBYDORWKKYIYLE-CQSZACIVSA-N -1 3 382.317 3.851 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000758459216 844812166 /nfs/dbraw/zinc/81/21/66/844812166.db2.gz DEBXNSONMNBBNM-QMMMGPOBSA-N -1 3 396.727 3.598 20 0 GHADHM COc1cccc(CSC[C@H](NCc2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000277160787 844871512 /nfs/dbraw/zinc/87/15/12/844871512.db2.gz DFXRSWDCDIOPFF-INIZCTEOSA-N -1 3 383.872 3.964 20 0 GHADHM CCn1nc(CN[C@@H](CSCc2cccc(OC)c2)C(=O)[O-])c2ccccc21 ZINC000277157287 844878168 /nfs/dbraw/zinc/87/81/68/844878168.db2.gz CZTMNHPEGHOBMV-IBGZPJMESA-N -1 3 399.516 3.541 20 0 GHADHM COc1cc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc(OC)c1[O-] ZINC000181345064 844903058 /nfs/dbraw/zinc/90/30/58/844903058.db2.gz YCHKSKQONRLNPY-OAHLLOKOSA-N -1 3 391.292 3.721 20 0 GHADHM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000028494785 861529665 /nfs/dbraw/zinc/52/96/65/861529665.db2.gz ZSYRLKBJTAHXCD-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000513247237 845116385 /nfs/dbraw/zinc/11/63/85/845116385.db2.gz LUFQJCIJPGHOKZ-IUODEOHRSA-N -1 3 397.500 3.663 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000481504297 861536518 /nfs/dbraw/zinc/53/65/18/861536518.db2.gz BHLSUHCKIVNODH-LBPRGKRZSA-N -1 3 399.843 3.741 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c(F)cc1F ZINC000481508672 861541427 /nfs/dbraw/zinc/54/14/27/861541427.db2.gz LNCPEBFTSMGDOV-CYBMUJFWSA-N -1 3 396.242 3.592 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)[n-]1 ZINC000433111155 845342263 /nfs/dbraw/zinc/34/22/63/845342263.db2.gz SISIJQARZQUXLB-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCC3CC3)cc2)cc1OC ZINC000277237332 845369288 /nfs/dbraw/zinc/36/92/88/845369288.db2.gz IYBAPQJGFNVUBP-LJQANCHMSA-N -1 3 385.460 3.798 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429863435 845432023 /nfs/dbraw/zinc/43/20/23/845432023.db2.gz CNZGTYGFMXTTEP-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cc(Cl)ccc1Br ZINC000684658269 845442569 /nfs/dbraw/zinc/44/25/69/845442569.db2.gz WVGIBQXPVIJUEL-LLVKDONJSA-N -1 3 386.698 3.721 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Br)cc1F)c1ccc2c(c1)COC2 ZINC000512768344 845452199 /nfs/dbraw/zinc/45/21/99/845452199.db2.gz ZTGJMRNNBBDUEK-UHFFFAOYSA-N -1 3 390.205 3.558 20 0 GHADHM O=C(Nc1ccc2nc(C(F)F)sc2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000513451514 845477935 /nfs/dbraw/zinc/47/79/35/845477935.db2.gz RMIYCEGQOIPVHZ-UHFFFAOYSA-N -1 3 388.355 3.762 20 0 GHADHM COc1ccc(NC(=S)N[N-]C(=O)c2cc(SC)ccc2Cl)cc1F ZINC000067195905 845562613 /nfs/dbraw/zinc/56/26/13/845562613.db2.gz BZJYZKJEOSUTET-UHFFFAOYSA-N -1 3 399.900 3.841 20 0 GHADHM CCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000614490737 845643815 /nfs/dbraw/zinc/64/38/15/845643815.db2.gz YUQFQUDELARSAD-HNNXBMFYSA-N -1 3 382.460 3.864 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC(C)C)nc2)c1Cl ZINC000511040746 845843886 /nfs/dbraw/zinc/84/38/86/845843886.db2.gz SIKUAQKGIFOGGR-UHFFFAOYSA-N -1 3 389.304 3.963 20 0 GHADHM Cc1cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccn1 ZINC000010164418 846237644 /nfs/dbraw/zinc/23/76/44/846237644.db2.gz FZNQTHLVODFVEA-UHFFFAOYSA-N -1 3 399.447 3.511 20 0 GHADHM Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000548673147 846306281 /nfs/dbraw/zinc/30/62/81/846306281.db2.gz FVKLAXHGZUTAMF-ICSRJNTNSA-N -1 3 393.443 3.568 20 0 GHADHM COc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c(C)cc1C ZINC000280156268 846312617 /nfs/dbraw/zinc/31/26/17/846312617.db2.gz TZVLZCQBDQZHOJ-UHFFFAOYSA-N -1 3 392.459 3.749 20 0 GHADHM C[C@@H](CC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681203 846483430 /nfs/dbraw/zinc/48/34/30/846483430.db2.gz GQCYNUXAGHJQMV-VIFPVBQESA-N -1 3 382.224 3.785 20 0 GHADHM COc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(SC)cc1OC ZINC000277498645 846508414 /nfs/dbraw/zinc/50/84/14/846508414.db2.gz XODJCPURKWLCPC-BFUOFWGJSA-N -1 3 375.490 3.977 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c(=O)[n-]1 ZINC000277501899 846539690 /nfs/dbraw/zinc/53/96/90/846539690.db2.gz DQAQKHRCAGZLRA-UHFFFAOYSA-N -1 3 391.475 3.570 20 0 GHADHM CN(CC(=O)Nc1ccccc1Br)Cc1cc(Cl)ccc1[O-] ZINC000161172607 846604394 /nfs/dbraw/zinc/60/43/94/846604394.db2.gz UMAXAXBYIRWTNF-UHFFFAOYSA-N -1 3 383.673 3.879 20 0 GHADHM CC(C)Oc1cc(Br)cc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503034891 846736567 /nfs/dbraw/zinc/73/65/67/846736567.db2.gz QLPNXTFMZVWTFI-UHFFFAOYSA-N -1 3 393.216 3.899 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000277530892 846760209 /nfs/dbraw/zinc/76/02/09/846760209.db2.gz ZEOZXPPXECRZOB-INIZCTEOSA-N -1 3 378.494 3.710 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)cc2)n1 ZINC000152378572 846827171 /nfs/dbraw/zinc/82/71/71/846827171.db2.gz LAVZJYOLQOVSDV-NVXWUHKLSA-N -1 3 381.382 3.766 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCO[C@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000503140537 846827755 /nfs/dbraw/zinc/82/77/55/846827755.db2.gz KUFCTJFSEOVINC-KUHUBIRLSA-N -1 3 384.480 3.874 20 0 GHADHM O=C([O-])c1ccc(N2CCC(NCc3sccc3Br)CC2)cc1 ZINC000277545014 846850394 /nfs/dbraw/zinc/85/03/94/846850394.db2.gz ZVGPRLCTPBSEIT-UHFFFAOYSA-N -1 3 395.322 3.967 20 0 GHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1cccc(OCc2ccccc2)c1 ZINC000472218653 846908484 /nfs/dbraw/zinc/90/84/84/846908484.db2.gz CTNZOEGTUIAPLB-INIZCTEOSA-N -1 3 377.444 3.927 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)c(OC)c(C)c3)c2)n1 ZINC000179767460 861763078 /nfs/dbraw/zinc/76/30/78/861763078.db2.gz VMEYATUYFNGGLW-UHFFFAOYSA-N -1 3 377.444 3.877 20 0 GHADHM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000684870646 847237805 /nfs/dbraw/zinc/23/78/05/847237805.db2.gz HKZRCQCMMTXOIG-UHFFFAOYSA-N -1 3 378.394 3.759 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)cc1F ZINC000582442386 847254169 /nfs/dbraw/zinc/25/41/69/847254169.db2.gz SKUZKMMLWYOAEF-UHFFFAOYSA-N -1 3 399.415 3.648 20 0 GHADHM O=C(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)NC1CCCC1 ZINC000273372766 847320210 /nfs/dbraw/zinc/32/02/10/847320210.db2.gz DFZIPQNIRWSBNS-UHFFFAOYSA-N -1 3 377.444 3.634 20 0 GHADHM CCC1CCC(N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CC1 ZINC000273414038 847331821 /nfs/dbraw/zinc/33/18/21/847331821.db2.gz UABMJEXRHOUADJ-UHFFFAOYSA-N -1 3 385.464 3.982 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000511135061 847360903 /nfs/dbraw/zinc/36/09/03/847360903.db2.gz NDGLGKCISOTLDG-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179799389 861784594 /nfs/dbraw/zinc/78/45/94/861784594.db2.gz MKICCDQMBVKVCU-UHFFFAOYSA-N -1 3 389.202 3.810 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)CC(F)(F)F ZINC000420699655 847381853 /nfs/dbraw/zinc/38/18/53/847381853.db2.gz NNJUBFVOLDECFE-ZETCQYMHSA-N -1 3 381.750 3.808 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)nc3)nc(=O)c2c1C ZINC000588523647 847392046 /nfs/dbraw/zinc/39/20/46/847392046.db2.gz KYHZORFQYUYJKD-WEVVVXLNSA-N -1 3 379.800 3.763 20 0 GHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000273638806 847393136 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3.783 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c[nH]cc1-c1ccccc1 ZINC000513743481 847770705 /nfs/dbraw/zinc/77/07/05/847770705.db2.gz WXOODWNDHWXMQS-UHFFFAOYSA-N -1 3 381.233 3.766 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000421138054 847772930 /nfs/dbraw/zinc/77/29/30/847772930.db2.gz AKKAKBBCTAFOSF-IBGZPJMESA-N -1 3 390.505 3.742 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503620968 847839833 /nfs/dbraw/zinc/83/98/33/847839833.db2.gz AAXNRPNRPQTOOY-NDEPHWFRSA-N -1 3 394.431 3.657 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2ncc3n2CCCC3)cc1 ZINC000421225464 847880866 /nfs/dbraw/zinc/88/08/66/847880866.db2.gz KUEIKHJUNZDJRF-LJQANCHMSA-N -1 3 391.537 3.689 20 0 GHADHM O=C(N[C@@H]1CC=CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000548747473 847906640 /nfs/dbraw/zinc/90/66/40/847906640.db2.gz WOMHGDKDNZHGAW-SNVBAGLBSA-N -1 3 381.657 3.783 20 0 GHADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000157467990 861861749 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CC(C)[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000732392862 862256549 /nfs/dbraw/zinc/25/65/49/862256549.db2.gz IDUBJMYZAHODFD-OAHLLOKOSA-N -1 3 382.338 3.626 20 0 GHADHM Cc1cc(C)n(-c2ccc(CN(C)Cc3ccc(OCC(=O)[O-])cc3)cc2)n1 ZINC000515856455 851576347 /nfs/dbraw/zinc/57/63/47/851576347.db2.gz VRJZQOCZMOKULA-UHFFFAOYSA-N -1 3 379.460 3.585 20 0 GHADHM Cc1cc(CN(C)[C@H](C(=O)[O-])c2cccnc2)cc(C)c1OCC(F)(F)F ZINC000519554570 851608931 /nfs/dbraw/zinc/60/89/31/851608931.db2.gz WPXAFNPLJRGANO-INIZCTEOSA-N -1 3 382.382 3.897 20 0 GHADHM CCCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911228754 851652563 /nfs/dbraw/zinc/65/25/63/851652563.db2.gz QKNGUZCCDKXKCQ-CTDFXDFQSA-N -1 3 396.487 3.894 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1ccc(F)cc1C(F)(F)F ZINC000488703985 851704639 /nfs/dbraw/zinc/70/46/39/851704639.db2.gz WRILIPKQXZTPJQ-AWEZNQCLSA-N -1 3 377.334 3.949 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000911431438 851729101 /nfs/dbraw/zinc/72/91/01/851729101.db2.gz UXLJZSZNVKNHIO-JTDSTZFVSA-N -1 3 398.528 3.502 20 0 GHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000473759953 851867614 /nfs/dbraw/zinc/86/76/14/851867614.db2.gz WAFAONVRUCEISY-UHFFFAOYSA-N -1 3 390.505 3.655 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1cc(F)ccc1Cl ZINC000488932662 851871175 /nfs/dbraw/zinc/87/11/75/851871175.db2.gz AHFVXCUKNDHLQR-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM O=S(=O)([N-]CCCCOCCc1ccccc1)c1cc(F)ccc1Cl ZINC000489002449 851932211 /nfs/dbraw/zinc/93/22/11/851932211.db2.gz RXSFNLAVSPKLOT-UHFFFAOYSA-N -1 3 385.888 3.797 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2occc21)c1cccc(OC(F)(F)F)c1F ZINC000489117397 852035635 /nfs/dbraw/zinc/03/56/35/852035635.db2.gz PAWZQQKFMFOHPM-JTQLQIEISA-N -1 3 379.331 3.673 20 0 GHADHM CCSc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436540790 852051367 /nfs/dbraw/zinc/05/13/67/852051367.db2.gz UEVXYLFFJJJDJF-UHFFFAOYSA-N -1 3 399.516 3.931 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000436543614 852057159 /nfs/dbraw/zinc/05/71/59/852057159.db2.gz GATAJFHLVODVTH-UHFFFAOYSA-N -1 3 376.478 3.721 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436557250 852061175 /nfs/dbraw/zinc/06/11/75/852061175.db2.gz NHOSFZPAVZSSQM-PZJWPPBQSA-N -1 3 380.488 3.758 20 0 GHADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2ccccc2o1 ZINC000436564588 852067962 /nfs/dbraw/zinc/06/79/62/852067962.db2.gz KVCSGHLGPCCMGP-OAHLLOKOSA-N -1 3 392.455 3.663 20 0 GHADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436572566 852075461 /nfs/dbraw/zinc/07/54/61/852075461.db2.gz ZOVZUIFZXXAXAD-WOEVYDRPSA-N -1 3 377.484 3.673 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(O[C@H]2CCOC2)CC1 ZINC000436573380 852077812 /nfs/dbraw/zinc/07/78/12/852077812.db2.gz HLMFQNSWYSABLG-IBGZPJMESA-N -1 3 383.444 3.595 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCNC(=O)[C@@H]1c1cccs1 ZINC000436573164 852077999 /nfs/dbraw/zinc/07/79/99/852077999.db2.gz HMAMIGQCVPMZEJ-IBGZPJMESA-N -1 3 394.452 3.559 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](Oc2ccncc2)C1 ZINC000436584978 852092813 /nfs/dbraw/zinc/09/28/13/852092813.db2.gz KTNMZUZKWODQMX-NRFANRHFSA-N -1 3 388.467 3.866 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)c([O-])c1 ZINC000436589937 852096651 /nfs/dbraw/zinc/09/66/51/852096651.db2.gz RCZHHWWPPWUJQN-UHFFFAOYSA-N -1 3 386.498 3.575 20 0 GHADHM CO[C@H](C)CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)C ZINC000436615939 852115427 /nfs/dbraw/zinc/11/54/27/852115427.db2.gz BXELHWCSSOMXGJ-DYESRHJHSA-N -1 3 398.503 3.525 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1[O-] ZINC000436627573 852122136 /nfs/dbraw/zinc/12/21/36/852122136.db2.gz WXVUSEUVAKHFNJ-UHFFFAOYSA-N -1 3 385.423 3.864 20 0 GHADHM CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436623785 852136815 /nfs/dbraw/zinc/13/68/15/852136815.db2.gz HOZAQIVJRNZQLT-FQEVSTJZSA-N -1 3 394.515 3.556 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](COC(F)F)C1 ZINC000436665592 852162521 /nfs/dbraw/zinc/16/25/21/852162521.db2.gz NLRKFZDAPFJIFF-KRWDZBQOSA-N -1 3 375.415 3.879 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436665173 852163459 /nfs/dbraw/zinc/16/34/59/852163459.db2.gz LXSBGIPRDROHLF-HXUWFJFHSA-N -1 3 396.487 3.583 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000489282199 852185495 /nfs/dbraw/zinc/18/54/95/852185495.db2.gz XREVANVYDXCOFE-MRVPVSSYSA-N -1 3 384.376 3.529 20 0 GHADHM CC(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436682134 852190033 /nfs/dbraw/zinc/19/00/33/852190033.db2.gz PHHJAGBNTXMPAO-OAQYLSRUSA-N -1 3 380.488 3.553 20 0 GHADHM O=C(c1cncc([O-])c1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000517636435 852190671 /nfs/dbraw/zinc/19/06/71/852190671.db2.gz VLZULFIGTQTMEU-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2ccccc2SC(C)C)[nH][n-]1 ZINC000436692201 852205694 /nfs/dbraw/zinc/20/56/94/852205694.db2.gz MJWBQSMPJMSHIV-UHFFFAOYSA-N -1 3 394.500 3.885 20 0 GHADHM O=C(NCc1cc(F)cc2c1OCOC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436725730 852227084 /nfs/dbraw/zinc/22/70/84/852227084.db2.gz RGRRFPGIJYQKHQ-UHFFFAOYSA-N -1 3 393.414 3.919 20 0 GHADHM Cc1nn(C)c(N)c1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436715481 852237817 /nfs/dbraw/zinc/23/78/17/852237817.db2.gz LLAOEOYRGDYRAC-UHFFFAOYSA-N -1 3 379.445 3.545 20 0 GHADHM CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CCCCC1 ZINC000436721807 852247355 /nfs/dbraw/zinc/24/73/55/852247355.db2.gz YBOFXPMOTCZWHD-HXUWFJFHSA-N -1 3 387.524 3.609 20 0 GHADHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OCc1cccnc1 ZINC000426682358 852267249 /nfs/dbraw/zinc/26/72/49/852267249.db2.gz HVZFOANJYRPWIR-UHFFFAOYSA-N -1 3 378.428 3.657 20 0 GHADHM CSCC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nnc2ccccn21 ZINC000436755236 852303097 /nfs/dbraw/zinc/30/30/97/852303097.db2.gz MLSHJJSMPXMZTI-MRXNPFEDSA-N -1 3 384.505 3.783 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)c([O-])c2O1 ZINC000436775641 852309537 /nfs/dbraw/zinc/30/95/37/852309537.db2.gz GASDQTSKWJGZPE-QGZVFWFLSA-N -1 3 383.444 3.916 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506910359 852320310 /nfs/dbraw/zinc/32/03/10/852320310.db2.gz HDGLCUKRUGEZNF-UHFFFAOYSA-N -1 3 385.261 3.953 20 0 GHADHM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000436768088 852323852 /nfs/dbraw/zinc/32/38/52/852323852.db2.gz WBAYHVJGPKSZHV-CHWSQXEVSA-N -1 3 386.414 3.832 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cncc(Br)c2)cc1 ZINC000426738616 852337057 /nfs/dbraw/zinc/33/70/57/852337057.db2.gz XMZRWDJZXHZVSH-INIZCTEOSA-N -1 3 379.254 3.548 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436785104 852337414 /nfs/dbraw/zinc/33/74/14/852337414.db2.gz ZWHBLGIIKYYLPG-UHFFFAOYSA-N -1 3 391.265 3.775 20 0 GHADHM COc1cccc(C2(CNC(=O)c3cc(OC)c([O-])c(OC)c3)CCCC2)c1 ZINC000436789852 852344980 /nfs/dbraw/zinc/34/49/80/852344980.db2.gz FHXYROFKUGEHEN-UHFFFAOYSA-N -1 3 385.460 3.660 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC[C@H](C)F)c2)cc1 ZINC000506935085 852363108 /nfs/dbraw/zinc/36/31/08/852363108.db2.gz QUOCCWFETCBXQL-HNNXBMFYSA-N -1 3 378.469 3.582 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)cc2)cc(=O)[n-]1 ZINC000555979733 862349555 /nfs/dbraw/zinc/34/95/55/862349555.db2.gz UOZIJWVAKDOYEC-UHFFFAOYSA-N -1 3 394.479 3.842 20 0 GHADHM CCOc1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C ZINC000436810012 852369037 /nfs/dbraw/zinc/36/90/37/852369037.db2.gz QOGJFSYTYBNROR-UHFFFAOYSA-N -1 3 397.475 3.526 20 0 GHADHM Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c([O-])c1C ZINC000436810338 852370678 /nfs/dbraw/zinc/37/06/78/852370678.db2.gz XPAZFJBYXWZJHB-UHFFFAOYSA-N -1 3 389.459 3.898 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(CCO)Cc1cccc(F)c1 ZINC000436816138 852376612 /nfs/dbraw/zinc/37/66/12/852376612.db2.gz CDROPYGVFJGEHO-UHFFFAOYSA-N -1 3 379.431 3.757 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC000436829612 852379159 /nfs/dbraw/zinc/37/91/59/852379159.db2.gz SQJDVORBUYONRK-SFHVURJKSA-N -1 3 377.387 3.770 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c([O-])c1 ZINC000436830886 852379971 /nfs/dbraw/zinc/37/99/71/852379971.db2.gz OEUIEERISLFJQP-KRWDZBQOSA-N -1 3 392.455 3.735 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCCS1 ZINC000436826992 852396052 /nfs/dbraw/zinc/39/60/52/852396052.db2.gz CIQBNSIHKJLZOE-PMACEKPBSA-N -1 3 398.528 3.655 20 0 GHADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc2ccccc2cc1[O-] ZINC000436842479 852408495 /nfs/dbraw/zinc/40/84/95/852408495.db2.gz XYFXMOKGJNSBOH-UHFFFAOYSA-N -1 3 376.456 3.672 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1OCc1cccnc1 ZINC000426830066 852416675 /nfs/dbraw/zinc/41/66/75/852416675.db2.gz UZTBADNTFFZDOO-IBGZPJMESA-N -1 3 384.457 3.646 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2ccc(F)c(F)c2C1 ZINC000426830872 852427215 /nfs/dbraw/zinc/42/72/15/852427215.db2.gz BSJUXWINXSZAGM-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM COc1ccc(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)c([O-])c1 ZINC000436871649 852436550 /nfs/dbraw/zinc/43/65/50/852436550.db2.gz QZWATYJZXNZGKR-NSHDSACASA-N -1 3 376.250 3.750 20 0 GHADHM COc1ccc([C@@H](NCc2cc(C)c(Br)s2)C(=O)[O-])cc1F ZINC000426825661 852439070 /nfs/dbraw/zinc/43/90/70/852439070.db2.gz QXUGQDODDCTJTO-CYBMUJFWSA-N -1 3 388.258 3.882 20 0 GHADHM CCc1ccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)c([O-])c1 ZINC000436882879 852453340 /nfs/dbraw/zinc/45/33/40/852453340.db2.gz XLLGNUPHJMYMFO-UHFFFAOYSA-N -1 3 379.338 3.932 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c1[O-] ZINC000436896124 852480845 /nfs/dbraw/zinc/48/08/45/852480845.db2.gz WYFDIZYCRMXTOT-UHFFFAOYSA-N -1 3 377.356 3.963 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cc3ccncc3)cc1)OCO2 ZINC000481834724 862365861 /nfs/dbraw/zinc/36/58/61/862365861.db2.gz XYJCEBKJPPHLDC-UHFFFAOYSA-N -1 3 382.441 3.510 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436913748 852491398 /nfs/dbraw/zinc/49/13/98/852491398.db2.gz JTLWVVRAFBCDDD-OZOXKJRCSA-N -1 3 380.488 3.948 20 0 GHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000489633516 852498863 /nfs/dbraw/zinc/49/88/63/852498863.db2.gz YDLHRIIWQSGFMR-MRVPVSSYSA-N -1 3 398.403 3.571 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(=O)N(Cc2ccccc2)C1 ZINC000436919757 852500550 /nfs/dbraw/zinc/50/05/50/852500550.db2.gz OVQNAGFDXFZJON-UHFFFAOYSA-N -1 3 388.423 3.627 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ncccc4F)n3)n[nH]2)cc1 ZINC000507048279 852504541 /nfs/dbraw/zinc/50/45/41/852504541.db2.gz QTXWWRXVVYFHQE-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(CCCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436943723 852526303 /nfs/dbraw/zinc/52/63/03/852526303.db2.gz KSZNYZYUEVSTBW-UHFFFAOYSA-N -1 3 394.515 3.834 20 0 GHADHM CC[C@@H]1[C@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436955302 852544248 /nfs/dbraw/zinc/54/42/48/852544248.db2.gz DGURMVXBDXZERP-CZUORRHYSA-N -1 3 387.505 3.599 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c([O-])c1 ZINC000436984152 852566059 /nfs/dbraw/zinc/56/60/59/852566059.db2.gz YRGXGGXFXJVKFV-UHFFFAOYSA-N -1 3 398.507 3.519 20 0 GHADHM CCOc1cc(/C=C/c2ncc(C(=O)NC)s2)cc(Br)c1[O-] ZINC000436979360 852566150 /nfs/dbraw/zinc/56/61/50/852566150.db2.gz LMOKSAHMPMZNOG-SNAWJCMRSA-N -1 3 383.267 3.540 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2csc(N3CCCC3)n2)c([O-])c1 ZINC000436983893 852591299 /nfs/dbraw/zinc/59/12/99/852591299.db2.gz AEYKXKRVSHXITO-UHFFFAOYSA-N -1 3 389.521 3.600 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489851712 852607292 /nfs/dbraw/zinc/60/72/92/852607292.db2.gz WWLNWYGXNKNINR-SECBINFHSA-N -1 3 391.333 3.828 20 0 GHADHM CC(C)(C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1-c1ccccc1 ZINC000489919868 852644917 /nfs/dbraw/zinc/64/49/17/852644917.db2.gz DARJZOWOUKRRCP-UHFFFAOYSA-N -1 3 387.447 3.738 20 0 GHADHM CC(C)(C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1-c1ccccc1 ZINC000489919868 852644921 /nfs/dbraw/zinc/64/49/21/852644921.db2.gz DARJZOWOUKRRCP-UHFFFAOYSA-N -1 3 387.447 3.738 20 0 GHADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1OCCc2sccc21 ZINC000293714479 852679510 /nfs/dbraw/zinc/67/95/10/852679510.db2.gz NVQFYBXJSROKCT-QFYYESIMSA-N -1 3 396.306 3.783 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000506335350 852779368 /nfs/dbraw/zinc/77/93/68/852779368.db2.gz PTBQVPDVXNRVAW-UHFFFAOYSA-N -1 3 397.372 3.582 20 0 GHADHM CCCOc1cn(-c2ccccc2)nc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000490160916 852799539 /nfs/dbraw/zinc/79/95/39/852799539.db2.gz HUVPNPWLTIXBKH-UHFFFAOYSA-N -1 3 387.443 3.725 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCc2ccccc2Oc2cccc(F)c2)c(=O)[n-]1 ZINC000518122947 852860829 /nfs/dbraw/zinc/86/08/29/852860829.db2.gz DQMSICAMUZWWQS-UHFFFAOYSA-N -1 3 395.434 3.979 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ncc(-c2ccccc2)o1 ZINC000437220960 852890424 /nfs/dbraw/zinc/89/04/24/852890424.db2.gz RYUFPJMQGMLYLN-LBPRGKRZSA-N -1 3 385.470 3.991 20 0 GHADHM CCCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1ccc(C)cc1 ZINC000429606946 852908517 /nfs/dbraw/zinc/90/85/17/852908517.db2.gz UORHXLJVYODORV-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM CCCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1ccc(C)cc1 ZINC000429606946 852908522 /nfs/dbraw/zinc/90/85/22/852908522.db2.gz UORHXLJVYODORV-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc([O-])c(F)c1 ZINC000133140270 862415238 /nfs/dbraw/zinc/41/52/38/862415238.db2.gz IZLPPUNQBYOVDZ-UHFFFAOYSA-N -1 3 393.827 3.643 20 0 GHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c1-c1ccccc1 ZINC000490446944 853032928 /nfs/dbraw/zinc/03/29/28/853032928.db2.gz HUTHPIJJLYQPBB-MRXNPFEDSA-N -1 3 397.500 3.803 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1OCCc2sccc21 ZINC000490505935 853060898 /nfs/dbraw/zinc/06/08/98/853060898.db2.gz SQCQXBKGYUZQSS-BJOHPYRUSA-N -1 3 375.874 3.521 20 0 GHADHM CCc1ccc(CC)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000437391708 853069698 /nfs/dbraw/zinc/06/96/98/853069698.db2.gz XRLJWYJLQSTDJD-UHFFFAOYSA-N -1 3 390.487 3.836 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2nccnc2c1Br ZINC000507586090 853072399 /nfs/dbraw/zinc/07/23/99/853072399.db2.gz TUCGWZDNVQVHAX-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM CCOC(=O)c1sc2[n-]c(-c3ccc4cc(OC)ccc4n3)nc(=O)c2c1C ZINC000120863393 853085814 /nfs/dbraw/zinc/08/58/14/853085814.db2.gz UQABJLWOBUIMFR-UHFFFAOYSA-N -1 3 395.440 3.694 20 0 GHADHM CC(C)c1ccc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290370575 853339943 /nfs/dbraw/zinc/33/99/43/853339943.db2.gz NEQSOJOCAXIHQJ-MRXNPFEDSA-N -1 3 384.442 3.660 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Cl)c1cccnc1C(F)(F)F ZINC000519643834 853352913 /nfs/dbraw/zinc/35/29/13/853352913.db2.gz DMVWQGSKMWGGCN-CMPLNLGQSA-N -1 3 376.787 3.588 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H]3CCC(=O)N3)c2)ccc1OC(C)C ZINC000519693469 853398752 /nfs/dbraw/zinc/39/87/52/853398752.db2.gz UXOYNDGCISDPEQ-SFHVURJKSA-N -1 3 388.489 3.534 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)ccc1OC(C)C ZINC000519693445 853398823 /nfs/dbraw/zinc/39/88/23/853398823.db2.gz UXOYNDGCISDPEQ-GOSISDBHSA-N -1 3 388.489 3.534 20 0 GHADHM C[C@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)NC(C)(C)C ZINC000025690336 853535381 /nfs/dbraw/zinc/53/53/81/853535381.db2.gz LVCSZHGIOIVPIM-JTQLQIEISA-N -1 3 391.518 3.781 20 0 GHADHM O=C1COc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2N1 ZINC000025694864 853537221 /nfs/dbraw/zinc/53/72/21/853537221.db2.gz OXWWSXSGBUUUAL-UHFFFAOYSA-N -1 3 386.473 3.866 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)c(Br)c(Cl)c2)[n-]1 ZINC000586811770 853540295 /nfs/dbraw/zinc/54/02/95/853540295.db2.gz IYQPNWAHRRBJLR-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C)c(Br)c(Cl)c2)c[n-]1 ZINC000586811770 853540297 /nfs/dbraw/zinc/54/02/97/853540297.db2.gz IYQPNWAHRRBJLR-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CC(C)(C(=O)N[N-]C(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000054848392 853564338 /nfs/dbraw/zinc/56/43/38/853564338.db2.gz FTNRNZMDZYHGCE-UHFFFAOYSA-N -1 3 395.684 3.841 20 0 GHADHM Cn1c2ccccc2nc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000517251364 853570152 /nfs/dbraw/zinc/57/01/52/853570152.db2.gz VDHFHCMKYWQBSR-UHFFFAOYSA-N -1 3 384.867 3.787 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000054839266 853575827 /nfs/dbraw/zinc/57/58/27/853575827.db2.gz QIUOSZHZLFAETK-CYBMUJFWSA-N -1 3 398.463 3.963 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519893436 853592209 /nfs/dbraw/zinc/59/22/09/853592209.db2.gz JKIFPAIAURTROS-JTQLQIEISA-N -1 3 391.349 3.814 20 0 GHADHM O=S(=O)([N-]c1ccncc1Br)c1c(Cl)ccc2ccccc21 ZINC000481899775 862489521 /nfs/dbraw/zinc/48/95/21/862489521.db2.gz MLWQLARZLRXWNR-UHFFFAOYSA-N -1 3 397.681 3.873 20 0 GHADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000506592339 853697865 /nfs/dbraw/zinc/69/78/65/853697865.db2.gz GKQQEDNCKDADBP-ZDUSSCGKSA-N -1 3 388.272 3.692 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(C)C ZINC000055219154 853751931 /nfs/dbraw/zinc/75/19/31/853751931.db2.gz FIENKEZBDSKJCP-ZDUSSCGKSA-N -1 3 376.309 3.711 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c(C)c1C ZINC000481889773 862496467 /nfs/dbraw/zinc/49/64/67/862496467.db2.gz QKRCBRDVLFRQKK-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000481914487 862512213 /nfs/dbraw/zinc/51/22/13/862512213.db2.gz AWGYADIEMOKIEE-QMMMGPOBSA-N -1 3 380.292 3.652 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000729485698 853949033 /nfs/dbraw/zinc/94/90/33/853949033.db2.gz QZPOLMCIQFGYHL-GOSISDBHSA-N -1 3 395.427 3.571 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000481931154 862536631 /nfs/dbraw/zinc/53/66/31/862536631.db2.gz YURIHVBUOQEJKO-OLZOCXBDSA-N -1 3 376.423 3.595 20 0 GHADHM O=C(NCCc1cnc(SC2CCCC2)nc1)c1cc([O-])ccc1Cl ZINC000571952577 854240470 /nfs/dbraw/zinc/24/04/70/854240470.db2.gz IFPRIMDUUYBPAR-UHFFFAOYSA-N -1 3 377.897 3.843 20 0 GHADHM COc1ccc(CCC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1OC ZINC000473915994 854245180 /nfs/dbraw/zinc/24/51/80/854245180.db2.gz YLZXMTRKTCMQGL-UHFFFAOYSA-N -1 3 389.926 3.638 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1Cl ZINC000481958311 862550923 /nfs/dbraw/zinc/55/09/23/862550923.db2.gz ITYQEGGGXLSCDM-UHFFFAOYSA-N -1 3 394.880 3.888 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1C ZINC000588631702 854309891 /nfs/dbraw/zinc/30/98/91/854309891.db2.gz GQANLIJPINKFEY-UHFFFAOYSA-N -1 3 398.488 3.775 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(F)c(F)c1 ZINC000473942073 854377779 /nfs/dbraw/zinc/37/77/79/854377779.db2.gz DMTRVSIJWFCHOE-GFCCVEGCSA-N -1 3 381.853 3.654 20 0 GHADHM CC(C)Oc1ccc2ccccc2c1CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000572127456 854405354 /nfs/dbraw/zinc/40/53/54/854405354.db2.gz FGESMJUDQDUZHX-QGZVFWFLSA-N -1 3 394.475 3.754 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCc4cn(C(C)C)nc4C3)nc2)n1 ZINC000481976828 862570524 /nfs/dbraw/zinc/57/05/24/862570524.db2.gz BUKFXVXGWWSFEK-QGZVFWFLSA-N -1 3 378.480 3.553 20 0 GHADHM O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000760711464 854523595 /nfs/dbraw/zinc/52/35/95/854523595.db2.gz IGYLJFGAEYZZNE-KRWDZBQOSA-N -1 3 391.254 3.688 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1cc(C)ccc1C ZINC000572450784 854528012 /nfs/dbraw/zinc/52/80/12/854528012.db2.gz UKCFCYSDQVIHCY-UHFFFAOYSA-N -1 3 375.519 3.843 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2nc(-c3ccsc3)oc2C)[nH][n-]1 ZINC000588926812 854597336 /nfs/dbraw/zinc/59/73/36/854597336.db2.gz DTEVESHRCCFLSA-UHFFFAOYSA-N -1 3 394.456 3.713 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3nc4ccccc4s3)nc2)n1 ZINC000068660855 854605860 /nfs/dbraw/zinc/60/58/60/854605860.db2.gz TXVJWJNEXPQSFE-UHFFFAOYSA-N -1 3 377.473 3.640 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cc(Cl)ccc3OC)nc2)n1 ZINC000068661129 854605929 /nfs/dbraw/zinc/60/59/29/854605929.db2.gz DZHXORZCRAAWBY-UHFFFAOYSA-N -1 3 384.867 3.693 20 0 GHADHM O=C(c1cc(=O)[n-]cn1)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000624424906 854787505 /nfs/dbraw/zinc/78/75/05/854787505.db2.gz XDMWYNQYWLLWQY-UHFFFAOYSA-N -1 3 379.382 3.686 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000572543331 854869792 /nfs/dbraw/zinc/86/97/92/854869792.db2.gz DRHWYLOCIANLNZ-DLBZAZTESA-N -1 3 382.298 3.520 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000589429206 854891060 /nfs/dbraw/zinc/89/10/60/854891060.db2.gz VZYPSNAHYRNVKO-UHFFFAOYSA-N -1 3 379.441 3.835 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000133625105 862623794 /nfs/dbraw/zinc/62/37/94/862623794.db2.gz UEKPINWEDZDSER-KBPBESRZSA-N -1 3 393.484 3.605 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000330173834 862634019 /nfs/dbraw/zinc/63/40/19/862634019.db2.gz HSKCJNQPZDARQB-LLVKDONJSA-N -1 3 383.819 3.739 20 0 GHADHM Cc1csc(-c2ccc(S(=O)(=O)[N-][C@H](C3CC3)C(F)(F)F)cc2)n1 ZINC000655593148 855051595 /nfs/dbraw/zinc/05/15/95/855051595.db2.gz YICCKRSMZNXDPW-CYBMUJFWSA-N -1 3 376.425 3.738 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000589691120 855108547 /nfs/dbraw/zinc/10/85/47/855108547.db2.gz UUSSRWQWKGCPQU-UHFFFAOYSA-N -1 3 388.851 3.736 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655167822 855146785 /nfs/dbraw/zinc/14/67/85/855146785.db2.gz VPQIZJGYISBDCU-HNNXBMFYSA-N -1 3 387.867 3.871 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)c2ccc(F)cc2F)c(C(=O)OCC)[n-]1 ZINC001128073962 855229524 /nfs/dbraw/zinc/22/95/24/855229524.db2.gz NYSNRIOLPLGRBD-LLVKDONJSA-N -1 3 379.407 3.949 20 0 GHADHM Cc1cccc([C@H]2CCN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C2)c1 ZINC000482044981 862656626 /nfs/dbraw/zinc/65/66/26/862656626.db2.gz GRDWBSJXFRYAKC-HNNXBMFYSA-N -1 3 399.292 3.849 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC2(CCCC2)C1 ZINC000482079580 862676393 /nfs/dbraw/zinc/67/63/93/862676393.db2.gz RQAUUMDLJRJDSX-UHFFFAOYSA-N -1 3 377.286 3.707 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000482101807 862705496 /nfs/dbraw/zinc/70/54/96/862705496.db2.gz KJOPLEWARAVBGH-ZAQWFSBCSA-N -1 3 389.297 3.561 20 0 GHADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000057783697 855676710 /nfs/dbraw/zinc/67/67/10/855676710.db2.gz ORZGWJMZHNUVDF-CMDGGOBGSA-N -1 3 387.848 3.915 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000193085486 855868550 /nfs/dbraw/zinc/86/85/50/855868550.db2.gz ISPCJDOJADVYNY-CYBMUJFWSA-N -1 3 391.924 3.996 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1 ZINC000591367043 855953000 /nfs/dbraw/zinc/95/30/00/855953000.db2.gz XZCRANQYUSMPRW-UHFFFAOYSA-N -1 3 386.395 3.892 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591426188 855972416 /nfs/dbraw/zinc/97/24/16/855972416.db2.gz VPCFGMNDOQDLPS-IBGZPJMESA-N -1 3 390.826 3.743 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591426194 855973152 /nfs/dbraw/zinc/97/31/52/855973152.db2.gz VPCFGMNDOQDLPS-LJQANCHMSA-N -1 3 390.826 3.743 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cs2)cc1 ZINC000028021413 855989011 /nfs/dbraw/zinc/98/90/11/855989011.db2.gz GPVDLPASPGMCCE-UHFFFAOYSA-N -1 3 387.486 3.742 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2nnc(-c3ccccc3)s2)cnc1Cl ZINC001127136636 856021300 /nfs/dbraw/zinc/02/13/00/856021300.db2.gz IUFSFTNBQLBIHG-UHFFFAOYSA-N -1 3 394.834 3.970 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000280839247 856029348 /nfs/dbraw/zinc/02/93/48/856029348.db2.gz BMMJIMUSGIVVFR-UHFFFAOYSA-N -1 3 380.444 3.564 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)C)ccc2C)cc1 ZINC000029651396 856056952 /nfs/dbraw/zinc/05/69/52/856056952.db2.gz ZGEDWBXETUVLCJ-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485113608 856111766 /nfs/dbraw/zinc/11/17/66/856111766.db2.gz OAUGHKPJVGICKD-UHFFFAOYSA-N -1 3 375.388 3.737 20 0 GHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485113608 856111772 /nfs/dbraw/zinc/11/17/72/856111772.db2.gz OAUGHKPJVGICKD-UHFFFAOYSA-N -1 3 375.388 3.737 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000536459164 856115359 /nfs/dbraw/zinc/11/53/59/856115359.db2.gz KGIPFRPSCQZDJJ-UHFFFAOYSA-N -1 3 382.485 3.662 20 0 GHADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485111086 856123238 /nfs/dbraw/zinc/12/32/38/856123238.db2.gz AHXKLGRTZFNCAP-UHFFFAOYSA-N -1 3 378.363 3.959 20 0 GHADHM O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485127369 856125542 /nfs/dbraw/zinc/12/55/42/856125542.db2.gz UTMIQFZBTQDZTH-UHFFFAOYSA-N -1 3 398.426 3.975 20 0 GHADHM CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC000031369075 856165031 /nfs/dbraw/zinc/16/50/31/856165031.db2.gz HVWHEVRVNCUMPC-UHFFFAOYSA-N -1 3 390.867 3.854 20 0 GHADHM CN(CCCN[C@@H](C(=O)[O-])c1ccccc1Br)c1ccccc1 ZINC000905395621 856316735 /nfs/dbraw/zinc/31/67/35/856316735.db2.gz NPYYALDYABSKTA-QGZVFWFLSA-N -1 3 377.282 3.691 20 0 GHADHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3cc(-c4ccccc4)no3)n2)C[C@H](C)O1 ZINC000041793927 856326126 /nfs/dbraw/zinc/32/61/26/856326126.db2.gz TXVDZOMZBOGKSX-OKILXGFUSA-N -1 3 398.488 3.660 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCc2ccccc21 ZINC000485350194 856377476 /nfs/dbraw/zinc/37/74/76/856377476.db2.gz STLZGBIYBTVESI-CQSZACIVSA-N -1 3 375.266 3.684 20 0 GHADHM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cccc2c1OCO2 ZINC000509231126 856428453 /nfs/dbraw/zinc/42/84/53/856428453.db2.gz FCZQJMOPUPJTOD-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]1c1ccncc1 ZINC000485383705 856439294 /nfs/dbraw/zinc/43/92/94/856439294.db2.gz NVZXQBLUSDBJOK-KRWDZBQOSA-N -1 3 398.260 3.663 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485393269 856454034 /nfs/dbraw/zinc/45/40/34/856454034.db2.gz LLZLTKITKWBWTM-UHFFFAOYSA-N -1 3 395.452 3.575 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482201591 862799877 /nfs/dbraw/zinc/79/98/77/862799877.db2.gz RWJYOZJJCAJRCB-CQSZACIVSA-N -1 3 397.342 3.658 20 0 GHADHM CCCOc1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1OC ZINC000905749277 856504606 /nfs/dbraw/zinc/50/46/06/856504606.db2.gz KQWILBADLMYACH-AWEZNQCLSA-N -1 3 376.478 3.628 20 0 GHADHM O=c1cc(-c2nc(C3(c4ccccc4Br)CC3)no2)nc(C2CC2)[n-]1 ZINC000906114982 856841710 /nfs/dbraw/zinc/84/17/10/856841710.db2.gz BKRPHJWFKCBMQK-UHFFFAOYSA-N -1 3 399.248 3.952 20 0 GHADHM CCCCc1nc(NC(=O)c2sc(CCC)nc2C)c(C(=O)OCC)[n-]1 ZINC000485696216 856969075 /nfs/dbraw/zinc/96/90/75/856969075.db2.gz DHAQOCHJHWSTKT-UHFFFAOYSA-N -1 3 378.498 3.899 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cn(-c2ccccc2)nn1 ZINC000056249305 857028476 /nfs/dbraw/zinc/02/84/76/857028476.db2.gz MWBSORLERGBXOA-UHFFFAOYSA-N -1 3 382.836 3.692 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)[C@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000675159779 857054541 /nfs/dbraw/zinc/05/45/41/857054541.db2.gz WOTNLSVAAXURGY-GOSISDBHSA-N -1 3 384.480 3.874 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3csc(-c4ccccc4)n3)no1)OCO2 ZINC000437003467 857061746 /nfs/dbraw/zinc/06/17/46/857061746.db2.gz TZRVLBPSTKWRAU-UHFFFAOYSA-N -1 3 379.397 3.885 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000112273656 857118126 /nfs/dbraw/zinc/11/81/26/857118126.db2.gz OIFWNFLRZOTPBX-KGLIPLIRSA-N -1 3 395.297 3.522 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000509213105 862873861 /nfs/dbraw/zinc/87/38/61/862873861.db2.gz UFVZAVNGGVWMCS-HNNXBMFYSA-N -1 3 392.546 3.603 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2)n1 ZINC000064341968 857133474 /nfs/dbraw/zinc/13/34/74/857133474.db2.gz SIQMWJBJNQVHFO-UHFFFAOYSA-N -1 3 384.439 3.717 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)c(OC[C@@H]2CCCO2)c1 ZINC000057123897 857149420 /nfs/dbraw/zinc/14/94/20/857149420.db2.gz RNSFUCHHVIPDCD-SFHVURJKSA-N -1 3 375.490 3.537 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000057126354 857150394 /nfs/dbraw/zinc/15/03/94/857150394.db2.gz GTKQAIDNMPLMAC-UHFFFAOYSA-N -1 3 397.456 3.942 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1cc(Br)ccc1F ZINC000485868525 857166673 /nfs/dbraw/zinc/16/66/73/857166673.db2.gz AORJEBBQYUOVBB-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM C[C@H]1CN(c2cccc(F)c2)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429247428 857194699 /nfs/dbraw/zinc/19/46/99/857194699.db2.gz JNEKXBVSUDDMMV-AWEZNQCLSA-N -1 3 392.434 3.931 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[C@@](C)(O)c1ccccc1 ZINC001212367556 857213733 /nfs/dbraw/zinc/21/37/33/857213733.db2.gz NJJISJDITCHJPU-PIGZYNQJSA-N -1 3 396.921 3.524 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c(=O)[n-]1 ZINC000041614967 857234290 /nfs/dbraw/zinc/23/42/90/857234290.db2.gz INFJUDLMHFEBCD-JOCHJYFZSA-N -1 3 387.439 3.581 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2c(Cl)oc3ccccc32)s1 ZINC000593068730 857237640 /nfs/dbraw/zinc/23/76/40/857237640.db2.gz NHXTWYKAFULOIF-UHFFFAOYSA-N -1 3 379.825 3.686 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482287889 862892532 /nfs/dbraw/zinc/89/25/32/862892532.db2.gz JDYBWMBXFPDECD-ZDUSSCGKSA-N -1 3 377.282 3.894 20 0 GHADHM Cn1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000485972859 857280624 /nfs/dbraw/zinc/28/06/24/857280624.db2.gz FALCTBUVHQANKG-ALCCZGGFSA-N -1 3 390.443 3.792 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1F ZINC000485998239 857305930 /nfs/dbraw/zinc/30/59/30/857305930.db2.gz AFLLHPYGCSDMTM-AWEZNQCLSA-N -1 3 381.322 3.555 20 0 GHADHM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906789138 857316861 /nfs/dbraw/zinc/31/68/61/857316861.db2.gz LTIMNFQPYHBKII-CYBMUJFWSA-N -1 3 391.493 3.513 20 0 GHADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000672428686 857329455 /nfs/dbraw/zinc/32/94/55/857329455.db2.gz WWOWDTZWHAMEPC-LLVKDONJSA-N -1 3 394.707 3.701 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000486101503 857428007 /nfs/dbraw/zinc/42/80/07/857428007.db2.gz AESVYXRMMDFVJO-CQSZACIVSA-N -1 3 378.350 3.793 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC(C)(C)c2ccncc2)s1 ZINC000907193333 857527093 /nfs/dbraw/zinc/52/70/93/857527093.db2.gz XQPQMAOQGHGZPC-UHFFFAOYSA-N -1 3 376.482 3.593 20 0 GHADHM C[S@](=O)Cc1ccccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907391682 857617772 /nfs/dbraw/zinc/61/77/72/857617772.db2.gz MVQQHOCIERDEEY-SANMLTNESA-N -1 3 395.506 3.621 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442244770 857650768 /nfs/dbraw/zinc/65/07/68/857650768.db2.gz ZVCLEBCAFCFBBP-RTBURBONSA-N -1 3 375.490 3.787 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3c(C)noc3Cl)c2)n1 ZINC000064371023 857700733 /nfs/dbraw/zinc/70/07/33/857700733.db2.gz VTMADEXWGDETKM-UHFFFAOYSA-N -1 3 386.839 3.520 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000605320766 862943163 /nfs/dbraw/zinc/94/31/63/862943163.db2.gz VZWYNBWOTILVTL-NHYWBVRUSA-N -1 3 397.434 3.964 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c(F)c1 ZINC000676077092 857731235 /nfs/dbraw/zinc/73/12/35/857731235.db2.gz JRLNJGRRUKYREL-UHFFFAOYSA-N -1 3 396.459 3.678 20 0 GHADHM Cc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000065621384 857828485 /nfs/dbraw/zinc/82/84/85/857828485.db2.gz VHVFYOCIWVCXSV-UHFFFAOYSA-N -1 3 398.887 3.974 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1 ZINC000676355488 857843353 /nfs/dbraw/zinc/84/33/53/857843353.db2.gz ZSUXYUCXBYXJSZ-AWEZNQCLSA-N -1 3 399.509 3.603 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065752670 857845468 /nfs/dbraw/zinc/84/54/68/857845468.db2.gz ZCCCDAOJJFOYFM-UHFFFAOYSA-N -1 3 399.450 3.914 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486555931 857854396 /nfs/dbraw/zinc/85/43/96/857854396.db2.gz BVCAMOYXXHQOFL-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3CC3CCCC3)nc(=O)c2c1C ZINC000594053533 857854857 /nfs/dbraw/zinc/85/48/57/857854857.db2.gz QZKHJWYFCMWWAG-AWEZNQCLSA-N -1 3 389.521 3.624 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1cc(F)cc(Br)c1F ZINC000486565590 857865642 /nfs/dbraw/zinc/86/56/42/857865642.db2.gz MXBRATYMFBBNBT-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM O=C(NCc1coc2ccccc12)NCc1ccc([O-])c(Br)c1 ZINC000482349651 862962519 /nfs/dbraw/zinc/96/25/19/862962519.db2.gz HYVLGLGIZPTDRI-UHFFFAOYSA-N -1 3 375.222 3.900 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000908044610 857905662 /nfs/dbraw/zinc/90/56/62/857905662.db2.gz BTIBVZWKAQGETG-GOSISDBHSA-N -1 3 395.356 3.789 20 0 GHADHM CCCN(C(=O)c1cccc(C(=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000908090518 857913562 /nfs/dbraw/zinc/91/35/62/857913562.db2.gz DCSSYYSAJGEZMU-UHFFFAOYSA-N -1 3 380.488 3.902 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1C ZINC000676560250 857942520 /nfs/dbraw/zinc/94/25/20/857942520.db2.gz XGANYHAGBYCWOH-UHFFFAOYSA-N -1 3 381.404 3.858 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1c(F)cncc1F ZINC000908177775 857967367 /nfs/dbraw/zinc/96/73/67/857967367.db2.gz XZPPXUHMJIETOJ-QMMMGPOBSA-N -1 3 384.408 3.654 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000486712098 858002486 /nfs/dbraw/zinc/00/24/86/858002486.db2.gz SIKBCXPTMVWQMN-HOTGVXAUSA-N -1 3 391.464 3.617 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OCCC ZINC000521465309 858020155 /nfs/dbraw/zinc/02/01/55/858020155.db2.gz WQCKADSJTXNMEV-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OCCC ZINC000521465309 858020167 /nfs/dbraw/zinc/02/01/67/858020167.db2.gz WQCKADSJTXNMEV-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1 ZINC000521464992 858021175 /nfs/dbraw/zinc/02/11/75/858021175.db2.gz JWORHLNOBZVWKG-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000521464992 858021184 /nfs/dbraw/zinc/02/11/84/858021184.db2.gz JWORHLNOBZVWKG-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CCOCC1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CC1 ZINC000442682569 858046416 /nfs/dbraw/zinc/04/64/16/858046416.db2.gz KBUUPNWTTGPGLF-UHFFFAOYSA-N -1 3 398.688 3.670 20 0 GHADHM CC[C@H]1c2ccccc2CCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000114493386 858063256 /nfs/dbraw/zinc/06/32/56/858063256.db2.gz NMJOCECJJRKJGU-HNNXBMFYSA-N -1 3 397.500 3.589 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000046561504 858076394 /nfs/dbraw/zinc/07/63/94/858076394.db2.gz IBISAHMZXJKNDL-UHFFFAOYSA-N -1 3 398.806 3.863 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Oc1ccccc1C ZINC000442765004 858107780 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GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1COc2ccc(Cl)cc21 ZINC000482837655 858898495 /nfs/dbraw/zinc/89/84/95/858898495.db2.gz KDZHOXCUDBQIKY-CYBMUJFWSA-N -1 3 397.656 3.741 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(C)c1 ZINC000184874978 859012495 /nfs/dbraw/zinc/01/24/95/859012495.db2.gz RVTUSMKKXPKXEK-OAHLLOKOSA-N -1 3 379.453 3.659 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(C)c1 ZINC000184875297 859012853 /nfs/dbraw/zinc/01/28/53/859012853.db2.gz AAYZGIJUEIFLJW-MRXNPFEDSA-N -1 3 393.480 3.967 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113365009 859039816 /nfs/dbraw/zinc/03/98/16/859039816.db2.gz UYJLUHMGXLOBCE-CQSZACIVSA-N -1 3 390.226 3.686 20 0 GHADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000185451624 859083920 /nfs/dbraw/zinc/08/39/20/859083920.db2.gz WJESNCKDGPQMGR-ZDUSSCGKSA-N -1 3 396.418 3.580 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(OC(C)C)cc3)nc2)n1 ZINC000068664236 859137578 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CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@](CC)(C(=O)[O-])C1 ZINC000923471581 859341219 /nfs/dbraw/zinc/34/12/19/859341219.db2.gz XFKLGNXTRAHMDP-QFIPXVFZSA-N -1 3 384.476 3.797 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000923468218 859344305 /nfs/dbraw/zinc/34/43/05/859344305.db2.gz RJDYVDCYIONYFE-SGTLLEGYSA-N -1 3 387.307 3.747 20 0 GHADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(SC)ccc1[O-] ZINC000597210000 859348626 /nfs/dbraw/zinc/34/86/26/859348626.db2.gz SXZJRYXGQJYSDL-UHFFFAOYSA-N -1 3 395.427 3.598 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc(C2CC2)no1 ZINC000069128881 859357808 /nfs/dbraw/zinc/35/78/08/859357808.db2.gz ZOYGSUOOGGCOLS-MRXNPFEDSA-N -1 3 377.510 3.920 20 0 GHADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1c[n-]c2ccccc2c1=O ZINC000113905962 859424044 /nfs/dbraw/zinc/42/40/44/859424044.db2.gz ADQNOJIHGAGDOJ-NRFANRHFSA-N -1 3 376.456 3.742 20 0 GHADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000764433784 859448151 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3.720 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114319818 859542540 /nfs/dbraw/zinc/54/25/40/859542540.db2.gz MCCIXSKUUWSOMH-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114319818 859542549 /nfs/dbraw/zinc/54/25/49/859542549.db2.gz MCCIXSKUUWSOMH-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114319818 859542557 /nfs/dbraw/zinc/54/25/57/859542557.db2.gz MCCIXSKUUWSOMH-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cccc(S(C)(=O)=O)c2)cc1 ZINC000417569269 859585189 /nfs/dbraw/zinc/58/51/89/859585189.db2.gz LOVZJTKQQVAEMV-IBGZPJMESA-N -1 3 375.490 3.519 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000125980790 859610173 /nfs/dbraw/zinc/61/01/73/859610173.db2.gz MXZHYVSOUSYEPM-UHFFFAOYSA-N -1 3 375.222 3.534 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509160 859631416 /nfs/dbraw/zinc/63/14/16/859631416.db2.gz PCGQPIZPBKYOLT-GJZGRUSLSA-N -1 3 399.466 3.518 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1sccc1-c1ccccc1 ZINC000673508845 859632664 /nfs/dbraw/zinc/63/26/64/859632664.db2.gz XIMJFSOOYRYBPF-KGLIPLIRSA-N -1 3 395.484 3.909 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1c(Cl)cccc1Br ZINC000384145067 859763304 /nfs/dbraw/zinc/76/33/04/859763304.db2.gz OGXCGDNYYBUCSQ-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1C ZINC000484051163 859784963 /nfs/dbraw/zinc/78/49/63/859784963.db2.gz HTOOYDQTUPXMHM-NSHDSACASA-N -1 3 387.871 3.889 20 0 GHADHM CC(C)CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000114678081 859814790 /nfs/dbraw/zinc/81/47/90/859814790.db2.gz BVKWKDLICIPJHC-UHFFFAOYSA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000765228873 859855367 /nfs/dbraw/zinc/85/53/67/859855367.db2.gz OYEBWDDPHCSAKU-IINYFYTJSA-N -1 3 392.279 3.923 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c2ccco2)cc1 ZINC001212185456 860024843 /nfs/dbraw/zinc/02/48/43/860024843.db2.gz WBKCXWZAHANHIY-IBGZPJMESA-N -1 3 393.411 3.943 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000484486965 860027561 /nfs/dbraw/zinc/02/75/61/860027561.db2.gz IUYXOBGGIVFUMP-UHFFFAOYSA-N -1 3 399.415 3.730 20 0 GHADHM CC1(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CCN(Cc2ccccc2)CC1 ZINC000484534373 860089700 /nfs/dbraw/zinc/08/97/00/860089700.db2.gz YZEWGTXNAWRQQE-UHFFFAOYSA-N -1 3 386.499 3.806 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c(Cl)n1 ZINC000765541487 860125914 /nfs/dbraw/zinc/12/59/14/860125914.db2.gz OIRATWMDJXBDBJ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cc([O-])c2ccccc2c1 ZINC000525918662 860132894 /nfs/dbraw/zinc/13/28/94/860132894.db2.gz JUBRYESPYDGZIL-UHFFFAOYSA-N -1 3 384.435 3.685 20 0 GHADHM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccc(Cl)cc1 ZINC000525928540 860135603 /nfs/dbraw/zinc/13/56/03/860135603.db2.gz XDOUVHFKZIFGPZ-WIYYLYMNSA-N -1 3 394.858 3.901 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602744438 860232924 /nfs/dbraw/zinc/23/29/24/860232924.db2.gz PSWKNHNXWBRIHW-RISCZKNCSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1cc(N)nc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000058414325 860235177 /nfs/dbraw/zinc/23/51/77/860235177.db2.gz YFVKRDNZAYTYGI-SECBINFHSA-N -1 3 385.474 3.779 20 0 GHADHM COc1cccc(Oc2ncccc2CN[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904221129 860244433 /nfs/dbraw/zinc/24/44/33/860244433.db2.gz HUMGYGOZZLINDH-ZWKOTPCHSA-N -1 3 383.448 3.551 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNC[C@@H]3CCC4(CCCCC4)O3)o2)CC1 ZINC000904234651 860272566 /nfs/dbraw/zinc/27/25/66/860272566.db2.gz NLXQOJXYDHBJNN-SFHVURJKSA-N -1 3 376.497 3.552 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000727796394 860274730 /nfs/dbraw/zinc/27/47/30/860274730.db2.gz HHFJYESYIHJGEI-PBHICJAKSA-N -1 3 384.517 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000428919270 860351346 /nfs/dbraw/zinc/35/13/46/860351346.db2.gz FHXIYKHDTKHTCL-BLLLJJGKSA-N -1 3 381.398 3.725 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290496078 860402398 /nfs/dbraw/zinc/40/23/98/860402398.db2.gz DZKXRDFLSDTCNX-QHCPKHFHSA-N -1 3 379.431 3.752 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000436619232 860442561 /nfs/dbraw/zinc/44/25/61/860442561.db2.gz QKGBLMVTMGFHLQ-UHFFFAOYSA-N -1 3 388.423 3.788 20 0 GHADHM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436621543 860450804 /nfs/dbraw/zinc/45/08/04/860450804.db2.gz VZXRDXBBHXEESQ-UHFFFAOYSA-N -1 3 379.397 3.749 20 0 GHADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598689218 860518600 /nfs/dbraw/zinc/51/86/00/860518600.db2.gz DQVIFZIABYDREW-LJZMDLFKSA-N -1 3 385.407 3.982 20 0 GHADHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1 ZINC000765736245 860526798 /nfs/dbraw/zinc/52/67/98/860526798.db2.gz PCUWSWXNFYLJNM-UHFFFAOYSA-N -1 3 394.349 3.663 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000563897801 860590201 /nfs/dbraw/zinc/59/02/01/860590201.db2.gz XMZLNWFYHJCERJ-UHFFFAOYSA-N -1 3 375.831 3.814 20 0 GHADHM CC[C@@H](c1ccncc1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293872 881558966 /nfs/dbraw/zinc/55/89/66/881558966.db2.gz YMBAAIYXUPBMTK-LBPRGKRZSA-N -1 3 375.782 3.531 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](n2cccn2)C1 ZINC000102482505 860720353 /nfs/dbraw/zinc/72/03/53/860720353.db2.gz XFAWYSRSQCGAQI-HXUWFJFHSA-N -1 3 375.472 3.851 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1oc2c(cccc2Cl)c1C ZINC000474780475 860766247 /nfs/dbraw/zinc/76/62/47/860766247.db2.gz MDLLBJRZHBPCOG-UHFFFAOYSA-N -1 3 390.779 3.548 20 0 GHADHM Nc1nn2c([n-]1)nc(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)cc2=O ZINC000120409385 881587919 /nfs/dbraw/zinc/58/79/19/881587919.db2.gz WJRGCOFXFUCPOJ-QGZVFWFLSA-N -1 3 397.891 3.676 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC4(CCCCC4)CC3)c(=O)c2c(OC)c1 ZINC000625106109 860927999 /nfs/dbraw/zinc/92/79/99/860927999.db2.gz NRXSDRUEDXCHGS-UHFFFAOYSA-N -1 3 384.476 3.732 20 0 GHADHM COc1ccc2oc([C@H](C)N/C=C3/C(=O)[N-]C(=O)c4ccccc43)c(C)c2c1 ZINC000730203209 860950776 /nfs/dbraw/zinc/95/07/76/860950776.db2.gz JJYXVVJSIKNKKN-FHXOWUIVSA-N -1 3 376.412 3.712 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000329019918 860952567 /nfs/dbraw/zinc/95/25/67/860952567.db2.gz SEQKLJHNZIOJLR-SFHVURJKSA-N -1 3 392.463 3.867 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000176628440 860989050 /nfs/dbraw/zinc/98/90/50/860989050.db2.gz XUFBQLJZOYQSHA-UHFFFAOYSA-N -1 3 398.890 3.955 20 0 GHADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)N(C)C)cc1 ZINC000555477472 861010921 /nfs/dbraw/zinc/01/09/21/861010921.db2.gz AHNFZRMWTZXTQI-QGZVFWFLSA-N -1 3 390.530 3.736 20 0 GHADHM O=C(OCc1nc(-c2ccsc2)no1)c1cccc(Br)c1[O-] ZINC000730364957 861073487 /nfs/dbraw/zinc/07/34/87/861073487.db2.gz RECLCOPRDCZTKT-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM CC(=O)c1ccccc1OCCOC(=O)c1cccc(Br)c1[O-] ZINC000730365815 861074531 /nfs/dbraw/zinc/07/45/31/861074531.db2.gz SAULALHTUWJAQJ-UHFFFAOYSA-N -1 3 379.206 3.593 20 0 GHADHM CCOc1ccc(C(=O)COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364567 861074836 /nfs/dbraw/zinc/07/48/36/861074836.db2.gz OBQSFVVYSJAHAZ-UHFFFAOYSA-N -1 3 379.206 3.593 20 0 GHADHM Cc1ccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])cc1C ZINC000730366933 861076830 /nfs/dbraw/zinc/07/68/30/861076830.db2.gz YEKOYGDTGUGDCI-UHFFFAOYSA-N -1 3 378.222 3.567 20 0 GHADHM CCSCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000282593119 863236445 /nfs/dbraw/zinc/23/64/45/863236445.db2.gz XIMSKSQTSPLTFH-UHFFFAOYSA-N -1 3 399.944 3.549 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)c(C(F)(F)F)c1 ZINC000444076007 863317057 /nfs/dbraw/zinc/31/70/57/863317057.db2.gz PYIUTEQYKPFSOR-UHFFFAOYSA-N -1 3 391.436 3.914 20 0 GHADHM C[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1c[nH]c2ccccc21 ZINC000281682390 863323766 /nfs/dbraw/zinc/32/37/66/863323766.db2.gz KTIIHLNSLMCHFT-ZDUSSCGKSA-N -1 3 395.425 3.579 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000120577107 881676557 /nfs/dbraw/zinc/67/65/57/881676557.db2.gz ABFPYTYNNVUIAR-HUUCEWRRSA-N -1 3 387.505 3.880 20 0 GHADHM CSc1ncc(C(=O)NCc2ccc([O-])c(F)c2)n1-c1ccc(F)cc1 ZINC000606537076 863695464 /nfs/dbraw/zinc/69/54/64/863695464.db2.gz GXQRCTWJSAMWGH-UHFFFAOYSA-N -1 3 375.400 3.508 20 0 GHADHM CSCC[C@H](C)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444257294 863775387 /nfs/dbraw/zinc/77/53/87/863775387.db2.gz OZEQOXBBAUKICP-JTQLQIEISA-N -1 3 388.411 3.640 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000444261213 863781647 /nfs/dbraw/zinc/78/16/47/863781647.db2.gz QIYLCAZETCUYJQ-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccc(C)n3C)n2)n[nH]1 ZINC000158711467 863924449 /nfs/dbraw/zinc/92/44/49/863924449.db2.gz ZMZDMLBVZHGJEZ-UHFFFAOYSA-N -1 3 394.460 3.503 20 0 GHADHM COc1ccccc1SC[C@H](C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000103456055 863993461 /nfs/dbraw/zinc/99/34/61/863993461.db2.gz KGZQJYJFWPCLEJ-CQSZACIVSA-N -1 3 382.485 3.695 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480197174 864223954 /nfs/dbraw/zinc/22/39/54/864223954.db2.gz GMLPRMMAQYXZNG-GFCCVEGCSA-N -1 3 395.352 3.556 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])n1ccc2ccccc2c1=O ZINC000554501223 864450775 /nfs/dbraw/zinc/45/07/75/864450775.db2.gz XNEXZDMKUKKUAG-NSHDSACASA-N -1 3 387.233 3.669 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000898728595 864552488 /nfs/dbraw/zinc/55/24/88/864552488.db2.gz LUJDADHFZVBHOK-AWEZNQCLSA-N -1 3 389.377 3.614 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)n[nH]2)cc1 ZINC000173332732 864594943 /nfs/dbraw/zinc/59/49/43/864594943.db2.gz MVESBHTUVPCFGF-UHFFFAOYSA-N -1 3 397.435 3.650 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(N2CCCC2)n1 ZINC000621948935 864623369 /nfs/dbraw/zinc/62/33/69/864623369.db2.gz RBWKAMUJPVCMHL-UHFFFAOYSA-N -1 3 379.382 3.645 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nc(C)cs1 ZINC000104761028 864625532 /nfs/dbraw/zinc/62/55/32/864625532.db2.gz RVNSPPIRVRJQSL-QMMMGPOBSA-N -1 3 381.342 3.705 20 0 GHADHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000120847958 881786936 /nfs/dbraw/zinc/78/69/36/881786936.db2.gz OWWKYADUOJZTIQ-UHFFFAOYSA-N -1 3 394.880 3.806 20 0 GHADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000607702811 864678591 /nfs/dbraw/zinc/67/85/91/864678591.db2.gz MGMWWRDZSHSZKI-AWEZNQCLSA-N -1 3 391.471 3.895 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(C)cs1 ZINC000173374149 864689157 /nfs/dbraw/zinc/68/91/57/864689157.db2.gz OUSXMVHRHGWMIF-ZDUSSCGKSA-N -1 3 380.322 3.757 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000622056346 864724647 /nfs/dbraw/zinc/72/46/47/864724647.db2.gz JZDVYDXMGQQKSD-IBGZPJMESA-N -1 3 397.368 3.617 20 0 GHADHM CC1CC(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000622238212 864871185 /nfs/dbraw/zinc/87/11/85/864871185.db2.gz GPERCGDNXMYOEW-UHFFFAOYSA-N -1 3 383.673 3.720 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000735655840 864910794 /nfs/dbraw/zinc/91/07/94/864910794.db2.gz KDCCGAJXJSIIOK-UHFFFAOYSA-N -1 3 380.404 3.935 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)s1 ZINC000608023533 864926733 /nfs/dbraw/zinc/92/67/33/864926733.db2.gz NJKBGZOPJJPWOH-ZDUSSCGKSA-N -1 3 390.299 3.924 20 0 GHADHM CC(C)(C)C(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480596114 864935217 /nfs/dbraw/zinc/93/52/17/864935217.db2.gz COGRSMVGVMLFLG-UHFFFAOYSA-N -1 3 395.352 3.603 20 0 GHADHM O=C(COC(=O)c1cccc(Nc2ccccc2)c1)[N-]C(=O)c1cccs1 ZINC000735722180 864957512 /nfs/dbraw/zinc/95/75/12/864957512.db2.gz CKYLQZRIIPHNEK-UHFFFAOYSA-N -1 3 380.425 3.605 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([O-])c1 ZINC000031419760 865021762 /nfs/dbraw/zinc/02/17/62/865021762.db2.gz OIOLLTXRZNTLAE-UHFFFAOYSA-N -1 3 393.270 3.606 20 0 GHADHM Cc1cc(C)c(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1 ZINC000480712176 865151473 /nfs/dbraw/zinc/15/14/73/865151473.db2.gz ILOPXOLYHVQZEK-UHFFFAOYSA-N -1 3 390.505 3.779 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736271905 865169146 /nfs/dbraw/zinc/16/91/46/865169146.db2.gz OYUUGAJWGGWZDV-JSGCOSHPSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736271905 865169153 /nfs/dbraw/zinc/16/91/53/865169153.db2.gz OYUUGAJWGGWZDV-JSGCOSHPSA-N -1 3 389.525 3.731 20 0 GHADHM O=S(=O)(NCc1ncccc1[O-])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000480731705 865189132 /nfs/dbraw/zinc/18/91/32/865189132.db2.gz RAKQZVFBIIFIGJ-UHFFFAOYSA-N -1 3 390.848 3.711 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(=O)Nc3c(C)cc(C)cc3C)nc2)n1 ZINC000301168898 865202500 /nfs/dbraw/zinc/20/25/00/865202500.db2.gz IVXSDWQIRGGHJL-UHFFFAOYSA-N -1 3 391.475 3.782 20 0 GHADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1n[n-]c(-c2ccco2)n1 ZINC000120987515 881849761 /nfs/dbraw/zinc/84/97/61/881849761.db2.gz MTYBEDHYHHLBGT-UHFFFAOYSA-N -1 3 398.810 3.730 20 0 GHADHM CCN(c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1)C(C)C ZINC000736565149 865239397 /nfs/dbraw/zinc/23/93/97/865239397.db2.gz QQHBZLJHNWNSRU-UHFFFAOYSA-N -1 3 382.443 3.517 20 0 GHADHM CCN(c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1)C(C)C ZINC000736565149 865239411 /nfs/dbraw/zinc/23/94/11/865239411.db2.gz QQHBZLJHNWNSRU-UHFFFAOYSA-N -1 3 382.443 3.517 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cccc(Br)c2C)[nH][n-]1 ZINC000608358200 865255937 /nfs/dbraw/zinc/25/59/37/865255937.db2.gz YAYMYBUWJLMRHQ-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2ncc3n2CCCC3)cc1)c1ccc2c(c1)CCO2 ZINC000171779286 865369016 /nfs/dbraw/zinc/36/90/16/865369016.db2.gz WWCMFFWZGZEKOD-UHFFFAOYSA-N -1 3 395.484 3.622 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4c(F)cccc4F)C3)nc2)n1 ZINC000301544817 865414559 /nfs/dbraw/zinc/41/45/59/865414559.db2.gz DLCBMRUIWXFQTP-OAHLLOKOSA-N -1 3 397.429 3.776 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1Cl ZINC000738372661 865532745 /nfs/dbraw/zinc/53/27/45/865532745.db2.gz NEQUQPLPBKGCJP-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCCO1)c1cnc(Cl)c(Cl)c1 ZINC000738371129 865532982 /nfs/dbraw/zinc/53/29/82/865532982.db2.gz BMDYCZFVGHMWFB-LSDHHAIUSA-N -1 3 387.288 3.587 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1cnc(Cl)c(Cl)c1 ZINC000738381534 865534107 /nfs/dbraw/zinc/53/41/07/865534107.db2.gz RALSTJQIDJOYDP-PRHODGIISA-N -1 3 379.215 3.501 20 0 GHADHM O=C1OCCN1c1cccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)c1 ZINC000738555775 865554434 /nfs/dbraw/zinc/55/44/34/865554434.db2.gz KEVFLPKEVQZAGH-UHFFFAOYSA-N -1 3 375.306 3.978 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000739125462 865689986 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GHADHM CC(C)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000740928185 866112561 /nfs/dbraw/zinc/11/25/61/866112561.db2.gz HHJUQSDDAKZBQU-YOEHRIQHSA-N -1 3 376.497 3.891 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(Br)c2C)c([O-])c1 ZINC000534093643 866121484 /nfs/dbraw/zinc/12/14/84/866121484.db2.gz ALZRYTZYLWPTHW-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)c([O-])c1 ZINC000534093558 866121745 /nfs/dbraw/zinc/12/17/45/866121745.db2.gz UHBBKOHJQGFGGD-UHFFFAOYSA-N -1 3 395.415 3.580 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4ccccc4)ns3)c[n-]c12 ZINC000121188947 881956278 /nfs/dbraw/zinc/95/62/78/881956278.db2.gz VJGFPAXLKZMMQE-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cc4ccncc4)cc3)ccc2O1 ZINC000534205161 866266499 /nfs/dbraw/zinc/26/64/99/866266499.db2.gz PPQLGUNZFXTZST-OAHLLOKOSA-N -1 3 380.469 3.797 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c(=O)[n-]1 ZINC000552796801 866282496 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388.851 3.602 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OCCC(C)C)c1 ZINC000478736857 866544047 /nfs/dbraw/zinc/54/40/47/866544047.db2.gz DDOLQJJCMCLJQI-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OCCC(C)C)c1 ZINC000478736857 866544061 /nfs/dbraw/zinc/54/40/61/866544061.db2.gz DDOLQJJCMCLJQI-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000193084902 866609228 /nfs/dbraw/zinc/60/92/28/866609228.db2.gz OIWNXVLRYAEXLR-JTQLQIEISA-N -1 3 392.297 3.629 20 0 GHADHM CCCOc1ccc(CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1OCCC ZINC000534386548 866662706 /nfs/dbraw/zinc/66/27/06/866662706.db2.gz GTFHZXKVLQBPLE-UHFFFAOYSA-N -1 3 394.475 3.652 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000620422193 866743215 /nfs/dbraw/zinc/74/32/15/866743215.db2.gz LXRNOHPWGQEODX-HIFRSBDPSA-N -1 3 383.514 3.547 20 0 GHADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000385683948 866765326 /nfs/dbraw/zinc/76/53/26/866765326.db2.gz DMNCPLZNIHRWLG-MRVPVSSYSA-N -1 3 393.690 3.747 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1c[n-]c2ccccc2c1=O ZINC000444540979 866879926 /nfs/dbraw/zinc/87/99/26/866879926.db2.gz GLSOABULYKXNBT-UHFFFAOYSA-N -1 3 384.439 3.980 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1[O-] ZINC000456686984 866979037 /nfs/dbraw/zinc/97/90/37/866979037.db2.gz IHEOZOJEFLXBDP-INIZCTEOSA-N -1 3 381.432 3.653 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000857133001 882039044 /nfs/dbraw/zinc/03/90/44/882039044.db2.gz REWLLTSJTKXCKW-AWEZNQCLSA-N -1 3 380.460 3.575 20 0 GHADHM C[C@@H]1COCCN1c1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000857132378 882039218 /nfs/dbraw/zinc/03/92/18/882039218.db2.gz COOLLKKVAFQTSQ-GFCCVEGCSA-N -1 3 380.366 3.888 20 0 GHADHM C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000479036467 867051148 /nfs/dbraw/zinc/05/11/48/867051148.db2.gz WAHKRPDSGCRMHL-KRWDZBQOSA-N -1 3 383.206 3.805 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000121375006 882044919 /nfs/dbraw/zinc/04/49/19/882044919.db2.gz XIYRSAGNSFZMII-LIRRHRJNSA-N -1 3 377.444 3.884 20 0 GHADHM Cc1nc2cc(NC(=O)CCCc3ccc([O-])c(F)c3)ccc2n1[C@H](C)CO ZINC000456739087 867086877 /nfs/dbraw/zinc/08/68/77/867086877.db2.gz YAYHSURCNBPYTG-CYBMUJFWSA-N -1 3 385.439 3.704 20 0 GHADHM COc1ccc(C[C@@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000742154737 867108195 /nfs/dbraw/zinc/10/81/95/867108195.db2.gz CXJZGQQOIHGTFH-KRWDZBQOSA-N -1 3 395.532 3.923 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000153958128 867175374 /nfs/dbraw/zinc/17/53/74/867175374.db2.gz AXSCKPALWTYUDC-UHFFFAOYSA-N -1 3 394.587 3.758 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000742297384 867202662 /nfs/dbraw/zinc/20/26/62/867202662.db2.gz ZWSPCUUFDJGCBF-GOSISDBHSA-N -1 3 385.407 3.550 20 0 GHADHM CCC[C@H]1CCCC[C@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000456828312 867216846 /nfs/dbraw/zinc/21/68/46/867216846.db2.gz DIBKKLIBBUZUBR-HKUYNNGSSA-N -1 3 396.535 3.796 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000154048896 867224777 /nfs/dbraw/zinc/22/47/77/867224777.db2.gz SPYKPFAIRLRSQQ-UHFFFAOYSA-N -1 3 393.303 3.647 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Oc1ccc(Cl)cc1 ZINC000742341400 867240776 /nfs/dbraw/zinc/24/07/76/867240776.db2.gz JIAXHHFSVLIEBG-SECBINFHSA-N -1 3 395.695 3.788 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3cc(Br)c(F)cc3C)ccc2[nH]1 ZINC000479140275 867262655 /nfs/dbraw/zinc/26/26/55/867262655.db2.gz LSMATKAMNNPYMJ-UHFFFAOYSA-N -1 3 398.257 3.882 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 ZINC000479163162 867263400 /nfs/dbraw/zinc/26/34/00/867263400.db2.gz MTWXIEFURYFMFR-CQSZACIVSA-N -1 3 381.860 3.576 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1cccnc1)C1CC1 ZINC000534707204 867295360 /nfs/dbraw/zinc/29/53/60/867295360.db2.gz RUKSLRSMOWEKTH-MRXNPFEDSA-N -1 3 376.254 3.500 20 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COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1OCc1cnn(C)c1 ZINC000155033059 867716906 /nfs/dbraw/zinc/71/69/06/867716906.db2.gz NJEKDODVYBZGPS-UHFFFAOYSA-N -1 3 387.823 3.619 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)n3cnc4ccccc43)c2)n1 ZINC000171443979 882126556 /nfs/dbraw/zinc/12/65/56/882126556.db2.gz BBCGKGTWYUDGST-CQSZACIVSA-N -1 3 387.443 3.549 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC000479604614 868169268 /nfs/dbraw/zinc/16/92/68/868169268.db2.gz VTLUXADFGJGBJG-KFWWJZLASA-N -1 3 397.541 3.651 20 0 GHADHM [O-]c1cncc(/C=C/c2nc(-c3ccccc3I)no2)c1 ZINC000445385997 868338591 /nfs/dbraw/zinc/33/85/91/868338591.db2.gz OXYIPAXJUJQQRT-AATRIKPKSA-N -1 3 391.168 3.612 20 0 GHADHM O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1ccc2c(c1)CCO2 ZINC000743776465 868403086 /nfs/dbraw/zinc/40/30/86/868403086.db2.gz OEQQKLLFKKOUTN-UHFFFAOYSA-N -1 3 379.528 3.901 20 0 GHADHM CC[C@H](CC(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000457534460 868425676 /nfs/dbraw/zinc/42/56/76/868425676.db2.gz BXDQUZKJFJMBDP-MRVPVSSYSA-N -1 3 388.358 3.697 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000479776238 868474574 /nfs/dbraw/zinc/47/45/74/868474574.db2.gz NCHUSMCTVWCICT-UHFFFAOYSA-N -1 3 391.353 3.724 20 0 GHADHM Cc1cc(Br)ccc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000445453572 868484181 /nfs/dbraw/zinc/48/41/81/868484181.db2.gz BSYQZSGWRPIAPR-UHFFFAOYSA-N -1 3 375.226 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(F)cc3Cl)c2)n1 ZINC000156892077 868493660 /nfs/dbraw/zinc/49/36/60/868493660.db2.gz YAIDKJQNFSGCOQ-UHFFFAOYSA-N -1 3 385.826 3.973 20 0 GHADHM Clc1ccc(Cl)c(Cc2cnc(N=c3ncnc4[nH][n-]cc3-4)s2)c1 ZINC000535337441 868579744 /nfs/dbraw/zinc/57/97/44/868579744.db2.gz VTTAOFPFPJBVBF-UHFFFAOYSA-N -1 3 377.260 3.824 20 0 GHADHM CCc1noc(COc2ccc(OC(=O)c3cc(-c4ccc(C)o4)[n-]n3)cc2)n1 ZINC000744210985 868666235 /nfs/dbraw/zinc/66/62/35/868666235.db2.gz OKGZIGXWRXLJMA-UHFFFAOYSA-N -1 3 394.387 3.722 20 0 GHADHM CCc1noc(COc2ccc(OC(=O)c3cc(-c4ccc(C)o4)n[n-]3)cc2)n1 ZINC000744210985 868666242 /nfs/dbraw/zinc/66/62/42/868666242.db2.gz OKGZIGXWRXLJMA-UHFFFAOYSA-N -1 3 394.387 3.722 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(Br)o3)c2)n1 ZINC000744216485 868672628 /nfs/dbraw/zinc/67/26/28/868672628.db2.gz IIOIKXRIZOLQEG-UHFFFAOYSA-N -1 3 375.178 3.732 20 0 GHADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000157685318 868732800 /nfs/dbraw/zinc/73/28/00/868732800.db2.gz YFOCBQFNMXOTEM-GFCCVEGCSA-N -1 3 379.464 3.780 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648432913 882221004 /nfs/dbraw/zinc/22/10/04/882221004.db2.gz MCKDSGUHAOFKBI-UHFFFAOYSA-N -1 3 375.778 3.950 20 0 GHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000648433114 882221846 /nfs/dbraw/zinc/22/18/46/882221846.db2.gz SSUJLHORSUNIGB-SECBINFHSA-N -1 3 396.196 3.889 20 0 GHADHM COC(=O)[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(Cl)c(F)c1 ZINC000535498362 868841607 /nfs/dbraw/zinc/84/16/07/868841607.db2.gz AKHRRQSWNYRNHY-AWEZNQCLSA-N -1 3 393.695 3.680 20 0 GHADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433700 882234874 /nfs/dbraw/zinc/23/48/74/882234874.db2.gz LBLYREXXGWPKCQ-VIFPVBQESA-N -1 3 396.196 3.889 20 0 GHADHM CC(C)(NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)c(Cl)c1 ZINC000554173811 868885889 /nfs/dbraw/zinc/88/58/89/868885889.db2.gz HZBXUUAFLAYMSR-UHFFFAOYSA-N -1 3 377.227 3.542 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000122177838 868940491 /nfs/dbraw/zinc/94/04/91/868940491.db2.gz QABRYMLTOQLJHK-GFCCVEGCSA-N -1 3 381.398 3.558 20 0 GHADHM Cc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc2n1 ZINC000744724065 869029190 /nfs/dbraw/zinc/02/91/90/869029190.db2.gz IYIKZZZJLDOPNE-FQEVSTJZSA-N -1 3 390.439 3.597 20 0 GHADHM COc1ccc([C@H]2C[C@@H]2[C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000793541722 882255880 /nfs/dbraw/zinc/25/58/80/882255880.db2.gz GBFMADUWCCJPDC-MORSLUCNSA-N -1 3 390.505 3.679 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(=O)C1CCCC1 ZINC000744735773 869057640 /nfs/dbraw/zinc/05/76/40/869057640.db2.gz DGEWJPNZBCVMPO-FQEVSTJZSA-N -1 3 395.455 3.556 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000462263710 869136663 /nfs/dbraw/zinc/13/66/63/869136663.db2.gz ZFCTXZCVNNWJDP-HZMBPMFUSA-N -1 3 395.324 3.957 20 0 GHADHM Cc1ccc(SCCOC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000744913706 869172059 /nfs/dbraw/zinc/17/20/59/869172059.db2.gz DUGJOTJSCJPCAU-UHFFFAOYSA-N -1 3 397.493 3.763 20 0 GHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1csc(-c2ccccc2)n1 ZINC000462304605 869205204 /nfs/dbraw/zinc/20/52/04/869205204.db2.gz FFJISFNPTCBGMO-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cc(C)cc(C)c2)s1 ZINC000462342791 869262294 /nfs/dbraw/zinc/26/22/94/869262294.db2.gz VGIIMFFQHUVHJR-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM COC(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccsc1 ZINC000539511388 869275772 /nfs/dbraw/zinc/27/57/72/869275772.db2.gz BIVPWVVPSJXSCU-AWEZNQCLSA-N -1 3 398.469 3.589 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000737565395 869351867 /nfs/dbraw/zinc/35/18/67/869351867.db2.gz YNJQLPDMXSZINH-CMPLNLGQSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c(-c2nn[n-]n2)c1C ZINC000737565395 869351879 /nfs/dbraw/zinc/35/18/79/869351879.db2.gz YNJQLPDMXSZINH-CMPLNLGQSA-N -1 3 375.404 3.565 20 0 GHADHM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1cc(F)c(F)c(F)c1 ZINC000462424204 869417284 /nfs/dbraw/zinc/41/72/84/869417284.db2.gz AGVHRAFJGZSOIA-UHFFFAOYSA-N -1 3 381.375 3.614 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)cc4c3OCC4)cc2)n1 ZINC000462503766 869587879 /nfs/dbraw/zinc/58/78/79/869587879.db2.gz QMMGFINYOUJPIE-UHFFFAOYSA-N -1 3 381.819 3.586 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(c3)[nH]c(=O)n4C)nc(=O)c2c1C ZINC000920700450 882317373 /nfs/dbraw/zinc/31/73/73/882317373.db2.gz YZQKKZMFGKCGIV-VIFPVBQESA-N -1 3 398.444 3.524 20 0 GHADHM O=S(=O)([N-]CCC1CC1)c1csc(-c2cccc(Br)c2)n1 ZINC000462633430 869799424 /nfs/dbraw/zinc/79/94/24/869799424.db2.gz UCKHEDOPBMVLPU-UHFFFAOYSA-N -1 3 387.324 3.651 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000173276640 882345138 /nfs/dbraw/zinc/34/51/38/882345138.db2.gz XMZZPVZQTBGLSE-UHFFFAOYSA-N -1 3 379.507 3.733 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3)C[C@H](C)O)cc2)cc(=O)[n-]1 ZINC000524975795 869859771 /nfs/dbraw/zinc/85/97/71/869859771.db2.gz VZFYVIVDXPWVDX-HNNXBMFYSA-N -1 3 392.459 3.573 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000462662931 869863928 /nfs/dbraw/zinc/86/39/28/869863928.db2.gz PIWDTJAXGOCIFA-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000462713189 869924781 /nfs/dbraw/zinc/92/47/81/869924781.db2.gz YYZLNIIXNXJXED-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1cccc(F)c1 ZINC000462709494 869942831 /nfs/dbraw/zinc/94/28/31/869942831.db2.gz UISIXNCCJAFPLK-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000539874167 869945010 /nfs/dbraw/zinc/94/50/10/869945010.db2.gz LDODKZVROFPRKV-LSWJPFSZSA-N -1 3 395.499 3.586 20 0 GHADHM Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c(OCC(F)(F)F)c1 ZINC000446522902 869985030 /nfs/dbraw/zinc/98/50/30/869985030.db2.gz RHLCFEAIBBDPGY-UHFFFAOYSA-N -1 3 390.361 3.708 20 0 GHADHM CC(C)C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000508570432 870140850 /nfs/dbraw/zinc/14/08/50/870140850.db2.gz NZSGHUFPHDFMFM-UHFFFAOYSA-N -1 3 376.453 3.545 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000525213401 870209933 /nfs/dbraw/zinc/20/99/33/870209933.db2.gz FWFIOGGAFWXQQY-INIZCTEOSA-N -1 3 395.322 3.504 20 0 GHADHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(Br)cc1[O-] ZINC000525241353 870238015 /nfs/dbraw/zinc/23/80/15/870238015.db2.gz WJIORKSEPCDRPO-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(C)c(Cl)cc3F)c2)o1 ZINC001192273115 870255625 /nfs/dbraw/zinc/25/56/25/870255625.db2.gz INRUVJPUETUQBG-UHFFFAOYSA-N -1 3 381.816 3.947 20 0 GHADHM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccc2c(c1)CCCO2 ZINC000540039603 870279950 /nfs/dbraw/zinc/27/99/50/870279950.db2.gz VTYLSOWXTSETMA-UHFFFAOYSA-N -1 3 382.441 4.000 20 0 GHADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540040338 870285544 /nfs/dbraw/zinc/28/55/44/870285544.db2.gz QHWHJWUAUMGTLN-UHFFFAOYSA-N -1 3 382.279 3.883 20 0 GHADHM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000793735407 882396643 /nfs/dbraw/zinc/39/66/43/882396643.db2.gz MLLPCECIWXTRCI-CMPLNLGQSA-N -1 3 391.249 3.513 20 0 GHADHM O=C([N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(F)(F)Cc1ccccc1 ZINC000793749897 882404593 /nfs/dbraw/zinc/40/45/93/882404593.db2.gz RDAVPKVENWMIRD-MRXNPFEDSA-N -1 3 396.796 3.579 20 0 GHADHM COc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2Cl)c(C)c1 ZINC000462939902 870463261 /nfs/dbraw/zinc/46/32/61/870463261.db2.gz GZUNYTLBGOPUMC-GOSISDBHSA-N -1 3 379.851 3.898 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000248579080 870512393 /nfs/dbraw/zinc/51/23/93/870512393.db2.gz PSYFZDQYLSGOAH-JAXLGGSGSA-N -1 3 392.499 3.902 20 0 GHADHM CCCCOC(=O)c1ccccc1C(=O)Nc1ncc([O-])cc1Br ZINC001192602469 870534495 /nfs/dbraw/zinc/53/44/95/870534495.db2.gz SLMABJPOQGPTBA-UHFFFAOYSA-N -1 3 393.237 3.759 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)c1 ZINC000538777374 870591023 /nfs/dbraw/zinc/59/10/23/870591023.db2.gz SHWFKFBDHQGFEG-UHFFFAOYSA-N -1 3 391.427 3.754 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC(C)(C)C1 ZINC001192697517 870603384 /nfs/dbraw/zinc/60/33/84/870603384.db2.gz PDIXEZCMJDQYGV-MRXNPFEDSA-N -1 3 394.320 3.784 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c([O-])cc21 ZINC000461625509 870653176 /nfs/dbraw/zinc/65/31/76/870653176.db2.gz HVIIWJFUYWFFQA-UHFFFAOYSA-N -1 3 399.756 3.507 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000793839507 882435582 /nfs/dbraw/zinc/43/55/82/882435582.db2.gz SRYBWPUVHTYHLE-MRXNPFEDSA-N -1 3 397.805 3.557 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]CCC(C(F)(F)F)C(F)(F)F)c1 ZINC001192845077 870725398 /nfs/dbraw/zinc/72/53/98/870725398.db2.gz BJSJHDJTMXVOAU-UHFFFAOYSA-N -1 3 393.349 3.667 20 0 GHADHM CC1([N-]S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC=CC1 ZINC001212335611 870744030 /nfs/dbraw/zinc/74/40/30/870744030.db2.gz DJYZJCDOPWOEKB-UHFFFAOYSA-N -1 3 399.335 3.960 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000446955838 870764638 /nfs/dbraw/zinc/76/46/38/870764638.db2.gz DVEWKIJYNMWQCJ-RFAUZJTJSA-N -1 3 386.395 3.661 20 0 GHADHM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cnc4c(cnn4C)c3[O-])C2)cc1 ZINC000461709038 870782582 /nfs/dbraw/zinc/78/25/82/870782582.db2.gz PQKSYHHDPYXCIE-MRXNPFEDSA-N -1 3 378.476 3.502 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1cnccc1Cl ZINC001192925028 870789265 /nfs/dbraw/zinc/78/92/65/870789265.db2.gz OYVWSZKQMSCCTK-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000775567339 870860873 /nfs/dbraw/zinc/86/08/73/870860873.db2.gz DCPUVFJKSRUCLV-YJBOKZPZSA-N -1 3 375.469 3.589 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775567339 870860878 /nfs/dbraw/zinc/86/08/78/870860878.db2.gz DCPUVFJKSRUCLV-YJBOKZPZSA-N -1 3 375.469 3.589 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnc(Oc2ccccc2)cn1 ZINC000540256849 870891311 /nfs/dbraw/zinc/89/13/11/870891311.db2.gz FOPKYOYYJJKFCF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1OCC ZINC000617870039 870985717 /nfs/dbraw/zinc/98/57/17/870985717.db2.gz AYXJORWJFOBKQS-UHFFFAOYSA-N -1 3 395.843 3.680 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1OCC ZINC000617870039 870985723 /nfs/dbraw/zinc/98/57/23/870985723.db2.gz AYXJORWJFOBKQS-UHFFFAOYSA-N -1 3 395.843 3.680 20 0 GHADHM Cc1cc(Oc2ccccc2)ncc1NC(=O)c1cccc(OCCO)c1[O-] ZINC001193326614 871023310 /nfs/dbraw/zinc/02/33/10/871023310.db2.gz NXHHMUXYUYUPSI-UHFFFAOYSA-N -1 3 380.400 3.511 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)cc2ncccc21)c1cccc(OCCO)c1[O-] ZINC001193344819 871034017 /nfs/dbraw/zinc/03/40/17/871034017.db2.gz QIYVGHBXDJLYPB-UHFFFAOYSA-N -1 3 392.333 3.583 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)n1 ZINC000540359283 871114816 /nfs/dbraw/zinc/11/48/16/871114816.db2.gz TVZCASIETHGBST-LJQANCHMSA-N -1 3 393.487 3.835 20 0 GHADHM O=C(Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1)Nc1ccccc1F ZINC000775598177 871122597 /nfs/dbraw/zinc/12/25/97/871122597.db2.gz AMVFWANQZJQVSV-IBGZPJMESA-N -1 3 387.411 3.587 20 0 GHADHM O=C(Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1)Nc1ccccc1F ZINC000775598177 871122618 /nfs/dbraw/zinc/12/26/18/871122618.db2.gz AMVFWANQZJQVSV-IBGZPJMESA-N -1 3 387.411 3.587 20 0 GHADHM O=S(=O)([N-]Cc1ccc2cccnc2c1)c1cc(F)ccc1Br ZINC001193517706 871156388 /nfs/dbraw/zinc/15/63/88/871156388.db2.gz QCQCOEKIPGNZKL-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM COc1cc(NC(=O)c2ccc([O-])cc2C(F)(F)F)ccc1N1CCOCC1 ZINC001193748078 871288011 /nfs/dbraw/zinc/28/80/11/871288011.db2.gz PCDLYXMKBUPGGJ-UHFFFAOYSA-N -1 3 396.365 3.509 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001193746781 871288411 /nfs/dbraw/zinc/28/84/11/871288411.db2.gz ZWSCSGRSXBVHAE-UHFFFAOYSA-N -1 3 387.361 3.795 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1 ZINC000447277649 871304145 /nfs/dbraw/zinc/30/41/45/871304145.db2.gz ITYTZNIPMTYRIF-UHFFFAOYSA-N -1 3 393.358 3.556 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C(=O)N1CCCCC1 ZINC000447280315 871310932 /nfs/dbraw/zinc/31/09/32/871310932.db2.gz VZOXTQCKLLONEP-UHFFFAOYSA-N -1 3 398.528 3.911 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000539119069 871343108 /nfs/dbraw/zinc/34/31/08/871343108.db2.gz MPGDYWJQSSNKJF-QGZVFWFLSA-N -1 3 387.892 3.733 20 0 GHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000525748993 871378770 /nfs/dbraw/zinc/37/87/70/871378770.db2.gz VVKVVVYJRXKVNC-VIFPVBQESA-N -1 3 391.191 3.793 20 0 GHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000525748993 871378787 /nfs/dbraw/zinc/37/87/87/871378787.db2.gz VVKVVVYJRXKVNC-VIFPVBQESA-N -1 3 391.191 3.793 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)[nH][n-]1 ZINC000525752344 871382931 /nfs/dbraw/zinc/38/29/31/871382931.db2.gz WXPZZGSBNNVUBV-UHFFFAOYSA-N -1 3 385.427 3.987 20 0 GHADHM O=C1[N-]C(=O)C(=CNCCOc2ccccc2-c2ccccc2)c2ccccc21 ZINC000921021812 882506785 /nfs/dbraw/zinc/50/67/85/882506785.db2.gz RBSDRMLLAGOLDA-LTGZKZEYSA-N -1 3 384.435 3.633 20 0 GHADHM O=S(=O)([N-]Cc1noc2cc(F)ccc21)c1cc(Cl)ccc1Cl ZINC001194018851 871436307 /nfs/dbraw/zinc/43/63/07/871436307.db2.gz UTNLXYXXSZCMDG-UHFFFAOYSA-N -1 3 375.208 3.752 20 0 GHADHM COc1ccc(-c2ccc([N-]S(=O)(=O)Cc3noc4ccccc34)cn2)cc1 ZINC001194051586 871466291 /nfs/dbraw/zinc/46/62/91/871466291.db2.gz HNFNODFDAUMNKT-UHFFFAOYSA-N -1 3 395.440 3.840 20 0 GHADHM CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc4ccsc4[n-]3)c2)ccn1 ZINC000766726600 871536145 /nfs/dbraw/zinc/53/61/45/871536145.db2.gz UIYJIJJVZLWDPE-UHFFFAOYSA-N -1 3 393.424 3.996 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC(C)=O)c2ccccc12 ZINC001169460872 871540036 /nfs/dbraw/zinc/54/00/36/871540036.db2.gz YGSWZNPUUDGCIY-UHFFFAOYSA-N -1 3 383.429 3.543 20 0 GHADHM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194243010 871582548 /nfs/dbraw/zinc/58/25/48/871582548.db2.gz MZFWXZQKPQNCKZ-UHFFFAOYSA-N -1 3 378.812 3.532 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001194283740 871624788 /nfs/dbraw/zinc/62/47/88/871624788.db2.gz RIQXPPHYAWHWJR-UHFFFAOYSA-N -1 3 386.926 3.531 20 0 GHADHM O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1cccc2n[n-]nc21 ZINC000525872774 871643975 /nfs/dbraw/zinc/64/39/75/871643975.db2.gz JKRDRGNNWAKSHJ-UHFFFAOYSA-N -1 3 375.413 3.758 20 0 GHADHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525919889 871696669 /nfs/dbraw/zinc/69/66/69/871696669.db2.gz RQYKRBKJEHWSLG-UHFFFAOYSA-N -1 3 385.366 3.639 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000462166082 871725009 /nfs/dbraw/zinc/72/50/09/871725009.db2.gz LBGBXSWSEPWEKQ-UHFFFAOYSA-N -1 3 375.799 3.767 20 0 GHADHM COc1c(Cl)c(Cl)sc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001194556987 871790536 /nfs/dbraw/zinc/79/05/36/871790536.db2.gz ODSNBPSNVSOPEZ-UHFFFAOYSA-N -1 3 386.216 3.670 20 0 GHADHM CCOc1cnc(Br)c([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194604211 871830628 /nfs/dbraw/zinc/83/06/28/871830628.db2.gz BUTJTMQHUPEYGP-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM COc1ccc(OC)c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000253613536 871899143 /nfs/dbraw/zinc/89/91/43/871899143.db2.gz WKDWFPJUBWTLMT-UHFFFAOYSA-N -1 3 394.456 3.831 20 0 GHADHM Nc1nc(-c2cccc(C(=O)Nc3ncc([O-])cc3Br)c2)cs1 ZINC001194707493 871907743 /nfs/dbraw/zinc/90/77/43/871907743.db2.gz VDOFGQPKYJZOTA-UHFFFAOYSA-N -1 3 391.250 3.508 20 0 GHADHM CC(C)N(C(=O)c1cnc(C(F)(F)F)[n-]1)c1cc(Br)ccc1N ZINC001194783126 871929934 /nfs/dbraw/zinc/92/99/34/871929934.db2.gz FYFIOFWXYFFDCQ-UHFFFAOYSA-N -1 3 391.191 3.828 20 0 GHADHM CCOC(=O)c1coc(-c2cccc(NC(=O)c3cnc(C(F)(F)F)[n-]3)c2)n1 ZINC001194783182 871930783 /nfs/dbraw/zinc/93/07/83/871930783.db2.gz HWOXKBLFTQXERG-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2CCCO)c(C)c1C ZINC001194864293 871995275 /nfs/dbraw/zinc/99/52/75/871995275.db2.gz KQNAMUFNEKJAEO-UHFFFAOYSA-N -1 3 377.506 3.655 20 0 GHADHM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC001194867159 871999443 /nfs/dbraw/zinc/99/94/43/871999443.db2.gz YEFMEJGXBUGQAO-HNNXBMFYSA-N -1 3 391.489 3.698 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cnnc(Cl)c2Cl)c(C)c1C ZINC001194843885 872010350 /nfs/dbraw/zinc/01/03/50/872010350.db2.gz QXPFQBFFWQQQNR-UHFFFAOYSA-N -1 3 376.265 3.518 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cccc3nccnc32)c(Cl)cc1Cl ZINC001194976369 872078201 /nfs/dbraw/zinc/07/82/01/872078201.db2.gz CHTKIMPHJBCFAL-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(c3ccc(C)cc3)C(C)C)nc(=O)c2c1C ZINC000101550955 872082045 /nfs/dbraw/zinc/08/20/45/872082045.db2.gz PXLZXBSKPOEWGH-UHFFFAOYSA-N -1 3 385.489 3.803 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCOC2(CCC2)C1 ZINC001195001647 872096203 /nfs/dbraw/zinc/09/62/03/872096203.db2.gz VRAFZXPEYQZQRW-CYBMUJFWSA-N -1 3 394.356 3.528 20 0 GHADHM O=C(NCc1ccc2ncc(Br)cc2c1)c1ccc(Cl)[n-]c1=O ZINC001195140771 872196093 /nfs/dbraw/zinc/19/60/93/872196093.db2.gz DVIZYLGUZKETOF-UHFFFAOYSA-N -1 3 392.640 3.681 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(OC)cc1 ZINC000767080162 872238027 /nfs/dbraw/zinc/23/80/27/872238027.db2.gz IGQLISPEQHGZIQ-ZDUSSCGKSA-N -1 3 375.277 3.827 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000526952237 872324528 /nfs/dbraw/zinc/32/45/28/872324528.db2.gz MFGAKUHWKIXMEY-DGCLKSJQSA-N -1 3 377.282 3.989 20 0 GHADHM COc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc(Cl)c1[O-] ZINC000526954463 872326059 /nfs/dbraw/zinc/32/60/59/872326059.db2.gz HWGMYOOYQXFRRN-HNNXBMFYSA-N -1 3 383.275 3.740 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C[C@H]1CCCC2(CCC2)O1)C(F)(F)F ZINC001195307522 872328288 /nfs/dbraw/zinc/32/82/88/872328288.db2.gz RVGJOKGMFPDTMK-HZPDHXFCSA-N -1 3 382.426 3.588 20 0 GHADHM CC(C)c1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1Cl ZINC000526959676 872360163 /nfs/dbraw/zinc/36/01/63/872360163.db2.gz RQUGZFZGGTVXJP-KRWDZBQOSA-N -1 3 399.882 3.898 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C)c(C)cc1O ZINC001195383135 872380957 /nfs/dbraw/zinc/38/09/57/872380957.db2.gz MGTISALNXDSQLG-UHFFFAOYSA-N -1 3 385.441 3.750 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(F)cc3nc(C)c(C)nc32)c1F ZINC000478064362 872404028 /nfs/dbraw/zinc/40/40/28/872404028.db2.gz IEUDTBOXCARJIF-UHFFFAOYSA-N -1 3 389.333 3.703 20 0 GHADHM CCN(Cc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1)C(C)=O ZINC000163081261 872458987 /nfs/dbraw/zinc/45/89/87/872458987.db2.gz RIUTVJFAAZRKLQ-UHFFFAOYSA-N -1 3 395.434 3.596 20 0 GHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447897497 872501183 /nfs/dbraw/zinc/50/11/83/872501183.db2.gz NQCHOXXQQCUIFZ-UHFFFAOYSA-N -1 3 388.411 3.911 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccnc(Cl)c1F ZINC000763554070 872547332 /nfs/dbraw/zinc/54/73/32/872547332.db2.gz WZSUAKLMDJGQGB-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC=C(C)C)c2)cc1 ZINC000191812908 882624593 /nfs/dbraw/zinc/62/45/93/882624593.db2.gz DWUXPKIFLZCSOS-UHFFFAOYSA-N -1 3 388.489 3.500 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H]4C[C@@H]4C3)c2)cc1 ZINC000619339608 872557057 /nfs/dbraw/zinc/55/70/57/872557057.db2.gz NMPPBMXAOAMQBW-IAGOWNOFSA-N -1 3 384.501 3.586 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H]4C[C@H]4C3)c2)cc1 ZINC000619339609 872557308 /nfs/dbraw/zinc/55/73/08/872557308.db2.gz NMPPBMXAOAMQBW-IRXDYDNUSA-N -1 3 384.501 3.586 20 0 GHADHM COCc1nc2sc(C(=O)Nc3c([O-])cccc3Cl)c(C)c2c(OC)n1 ZINC000552433413 872639136 /nfs/dbraw/zinc/63/91/36/872639136.db2.gz IKOPPAVZRRKZBP-UHFFFAOYSA-N -1 3 393.852 3.766 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2ccccc2)ccc1F ZINC000921154906 882637565 /nfs/dbraw/zinc/63/75/65/882637565.db2.gz LKLJSEHPCLATDH-UHFFFAOYSA-N -1 3 392.496 3.568 20 0 GHADHM Cc1ccc(C(=O)OCc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195808262 872678570 /nfs/dbraw/zinc/67/85/70/872678570.db2.gz WISZKVDZMBGQBU-UHFFFAOYSA-N -1 3 397.452 3.858 20 0 GHADHM CC(C)(CNS(=O)(=O)c1ccc([O-])cc1)Cc1ccccc1C(F)(F)F ZINC001195835145 872703470 /nfs/dbraw/zinc/70/34/70/872703470.db2.gz HWNIYAKIKOHQSZ-UHFFFAOYSA-N -1 3 387.423 3.958 20 0 GHADHM COc1ccc(N[C@H](C)c2cnc3ccsc3c2)cc1[N-]S(C)(=O)=O ZINC000182733106 872712039 /nfs/dbraw/zinc/71/20/39/872712039.db2.gz USANIHKEBGOTEH-LLVKDONJSA-N -1 3 377.491 3.850 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)o1 ZINC000182722772 872719565 /nfs/dbraw/zinc/71/95/65/872719565.db2.gz WMDKPZLTRWAHAN-UHFFFAOYSA-N -1 3 389.456 3.653 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccn2C)c2cccc(F)c2)sc1Cl ZINC000191863097 882643966 /nfs/dbraw/zinc/64/39/66/882643966.db2.gz YKXOVIOEMSQQFJ-AWEZNQCLSA-N -1 3 399.900 3.650 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC000767716205 872780293 /nfs/dbraw/zinc/78/02/93/872780293.db2.gz PFNLVOKTUMIANZ-UHFFFAOYSA-N -1 3 390.505 3.885 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(Br)cc(C(C)C)c1 ZINC001195985241 872785200 /nfs/dbraw/zinc/78/52/00/872785200.db2.gz NMUBPCYBFTVQDZ-UHFFFAOYSA-N -1 3 380.242 3.725 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(Br)cc(C(C)C)c1 ZINC001195985241 872785209 /nfs/dbraw/zinc/78/52/09/872785209.db2.gz NMUBPCYBFTVQDZ-UHFFFAOYSA-N -1 3 380.242 3.725 20 0 GHADHM CCC1(Cc2ccccc2)CCN(C(=O)c2cnc3c(cnn3C)c2[O-])CC1 ZINC000478302037 872825607 /nfs/dbraw/zinc/82/56/07/872825607.db2.gz IIALHXSZLXQELY-UHFFFAOYSA-N -1 3 378.476 3.549 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC000312251715 872850277 /nfs/dbraw/zinc/85/02/77/872850277.db2.gz JFCNBKOGADAQSU-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2OCC2CCC2)c(=O)[n-]1 ZINC000527301749 872939628 /nfs/dbraw/zinc/93/96/28/872939628.db2.gz SIOGPNJHKKICAH-UHFFFAOYSA-N -1 3 375.856 3.813 20 0 GHADHM Cc1ccc(-c2csc([N-]c3ncnc4c3cnn4-c3ncccn3)n2)s1 ZINC000163120146 872962123 /nfs/dbraw/zinc/96/21/23/872962123.db2.gz WQGYLDDNKOLXCR-UHFFFAOYSA-N -1 3 392.473 3.843 20 0 GHADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000448152470 872962326 /nfs/dbraw/zinc/96/23/26/872962326.db2.gz ZOTSUASQPJHCHP-NRFANRHFSA-N -1 3 387.487 3.524 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000527300075 872978902 /nfs/dbraw/zinc/97/89/02/872978902.db2.gz MMNBLDNJLWRFPY-INIZCTEOSA-N -1 3 379.472 3.824 20 0 GHADHM Cc1cc(NC(=O)[C@H](C)Sc2nnc([N-]c3ccccc3F)s2)on1 ZINC000011002337 873018416 /nfs/dbraw/zinc/01/84/16/873018416.db2.gz RJSXINJRZKTKNG-VIFPVBQESA-N -1 3 379.442 3.837 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1cccc(Br)n1 ZINC001196332679 873039327 /nfs/dbraw/zinc/03/93/27/873039327.db2.gz FIOBIOOZKWYSAO-INIZCTEOSA-N -1 3 381.295 3.664 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(C)c1F ZINC000541165340 873076371 /nfs/dbraw/zinc/07/63/71/873076371.db2.gz XXDIKEINCOVSOJ-UHFFFAOYSA-N -1 3 375.368 3.587 20 0 GHADHM O=C(Nc1ccc(C(F)F)nc1)c1cc([O-])cc(I)c1 ZINC001196402864 873077813 /nfs/dbraw/zinc/07/78/13/873077813.db2.gz UFCMOIGIUNHZLN-UHFFFAOYSA-N -1 3 390.127 3.582 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)ccc1F ZINC000768109086 873086632 /nfs/dbraw/zinc/08/66/32/873086632.db2.gz UUGURFFOBMFMSW-OAHLLOKOSA-N -1 3 390.480 3.524 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2C(F)(F)F)C2CC2)c(F)c1 ZINC001196407440 873095450 /nfs/dbraw/zinc/09/54/50/873095450.db2.gz YALPHLGIDRMSHJ-HNNXBMFYSA-N -1 3 388.386 3.978 20 0 GHADHM CN(CCCc1ccccc1)C(=O)c1cc([O-])cc(I)c1 ZINC001196408658 873097512 /nfs/dbraw/zinc/09/75/12/873097512.db2.gz JFBMXJVVZROQMW-UHFFFAOYSA-N -1 3 395.240 3.702 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)COc3ccccc3OC)nc2)n1 ZINC000153100239 873191331 /nfs/dbraw/zinc/19/13/31/873191331.db2.gz KCJDFBBAXMUVLK-OAHLLOKOSA-N -1 3 394.475 3.530 20 0 GHADHM COc1cc(Br)ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001196575298 873235101 /nfs/dbraw/zinc/23/51/01/873235101.db2.gz YXVKPZPDVVZDNB-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000122772501 882704165 /nfs/dbraw/zinc/70/41/65/882704165.db2.gz JRRJTRFNMQKBEA-OLZOCXBDSA-N -1 3 398.406 3.819 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccncc2)c2ccccc2C)c1 ZINC001196718789 873319457 /nfs/dbraw/zinc/31/94/57/873319457.db2.gz JCAMQGONCQTSFZ-HXUWFJFHSA-N -1 3 386.448 3.606 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)c1 ZINC001196722272 873320064 /nfs/dbraw/zinc/32/00/64/873320064.db2.gz DMFTYTWIMBNVAS-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000768457904 873324405 /nfs/dbraw/zinc/32/44/05/873324405.db2.gz LQIYQFQTPUTYES-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000448396003 873325949 /nfs/dbraw/zinc/32/59/49/873325949.db2.gz BFTQCDOFXAAPKN-UHFFFAOYSA-N -1 3 399.220 3.837 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2nccs2)c1 ZINC001196788617 873361158 /nfs/dbraw/zinc/36/11/58/873361158.db2.gz JYMKIODJFXOHQF-INIZCTEOSA-N -1 3 392.477 3.553 20 0 GHADHM CC(C)COc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1 ZINC001196885307 873428561 /nfs/dbraw/zinc/42/85/61/873428561.db2.gz OWYSZKHFXPXYRE-HXUWFJFHSA-N -1 3 393.487 3.630 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)Cc3c(F)cccc3F)co2)cc1 ZINC000122889560 882734563 /nfs/dbraw/zinc/73/45/63/882734563.db2.gz MHYZAVSQXXUCKY-UHFFFAOYSA-N -1 3 378.400 3.548 20 0 GHADHM COc1cc(C(=O)O[C@H](Cc2ccc(Cl)cc2F)C(C)=O)cc(OC)c1[O-] ZINC000768793698 873584937 /nfs/dbraw/zinc/58/49/37/873584937.db2.gz QGXMHELTRJOIKA-OAHLLOKOSA-N -1 3 396.798 3.559 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(C(C)C)c2)c1 ZINC001197115855 873608971 /nfs/dbraw/zinc/60/89/71/873608971.db2.gz VPIMNBJZXBLTKA-DHZHZOJOSA-N -1 3 389.473 3.806 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000768902712 873661160 /nfs/dbraw/zinc/66/11/60/873661160.db2.gz XVPHGMGIAUJJDI-KBOKABMXSA-N -1 3 397.855 3.592 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cn(-c2ccccc2)nn1 ZINC000464357611 873705108 /nfs/dbraw/zinc/70/51/08/873705108.db2.gz UIUJJPPPOBBORG-UHFFFAOYSA-N -1 3 396.863 3.615 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)c2C1 ZINC000541589000 873935561 /nfs/dbraw/zinc/93/55/61/873935561.db2.gz RIUOJUOJYZVGEK-OAHLLOKOSA-N -1 3 386.517 3.927 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCN(c2ccccc2)CC1 ZINC000528099723 874015668 /nfs/dbraw/zinc/01/56/68/874015668.db2.gz MHIMTVHKYPQRDV-UHFFFAOYSA-N -1 3 375.266 3.507 20 0 GHADHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC000769449573 874078426 /nfs/dbraw/zinc/07/84/26/874078426.db2.gz CUEZSKQQXMJHST-NTMALXAHSA-N -1 3 392.908 3.557 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cn(-c2ccccc2C(F)(F)F)cn1 ZINC001198362698 874373111 /nfs/dbraw/zinc/37/31/11/874373111.db2.gz YFDNJGMUINWGTO-UHFFFAOYSA-N -1 3 387.321 3.725 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528378033 874479372 /nfs/dbraw/zinc/47/93/72/874479372.db2.gz HAYMYDOZYUJZEM-SJKOYZFVSA-N -1 3 376.250 3.757 20 0 GHADHM COc1ccc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000770232109 874536820 /nfs/dbraw/zinc/53/68/20/874536820.db2.gz CKUHOFXBUVLXAK-UHFFFAOYSA-N -1 3 392.496 3.510 20 0 GHADHM CCc1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1C ZINC000770262404 874553496 /nfs/dbraw/zinc/55/34/96/874553496.db2.gz ABAVPIZYGPGAJA-UHFFFAOYSA-N -1 3 394.443 3.529 20 0 GHADHM O=C(COC(=O)CCCc1cccc(C(F)(F)F)c1)[N-]C(=O)c1cccs1 ZINC000770428077 874674868 /nfs/dbraw/zinc/67/48/68/874674868.db2.gz UXTDRRJMGNEJCG-UHFFFAOYSA-N -1 3 399.390 3.589 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(C)=O)c2)c(C)c1 ZINC001198951686 874725433 /nfs/dbraw/zinc/72/54/33/874725433.db2.gz VPQFKXWPGBPXIU-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775929103 874786260 /nfs/dbraw/zinc/78/62/60/874786260.db2.gz IZYUWVCLPVWJRT-GFCCVEGCSA-N -1 3 379.840 3.711 20 0 GHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ncc(Cl)cc1Cl ZINC000775935065 874795861 /nfs/dbraw/zinc/79/58/61/874795861.db2.gz TWRNCUDELXBDOH-ZETCQYMHSA-N -1 3 389.622 3.931 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000528658330 874844625 /nfs/dbraw/zinc/84/46/25/874844625.db2.gz OWFZLLJZMUDQLF-APPDUMDISA-N -1 3 394.240 3.896 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1Cl ZINC000122493190 874967007 /nfs/dbraw/zinc/96/70/07/874967007.db2.gz UHFQOLGTTXMWGU-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1Cl ZINC000122493190 874967012 /nfs/dbraw/zinc/96/70/12/874967012.db2.gz UHFQOLGTTXMWGU-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[C@H]1C1CC1 ZINC000528825094 875130800 /nfs/dbraw/zinc/13/08/00/875130800.db2.gz MCCJLHINRFXVTH-UZCIPKQKSA-N -1 3 376.884 3.515 20 0 GHADHM CN(C)Cc1nc(CSCCNc2ccc3c(c2)[N-]C(=S)C3)cs1 ZINC001168111534 875132311 /nfs/dbraw/zinc/13/23/11/875132311.db2.gz PTMGNZMSAWDNDV-UHFFFAOYSA-N -1 3 378.592 3.845 20 0 GHADHM CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cnc1F ZINC001199721519 875145070 /nfs/dbraw/zinc/14/50/70/875145070.db2.gz QIUUXYXRWPGFOS-UHFFFAOYSA-N -1 3 390.411 3.921 20 0 GHADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000542239851 875230649 /nfs/dbraw/zinc/23/06/49/875230649.db2.gz DZHMEDRMEFEDFC-NSHDSACASA-N -1 3 378.277 3.513 20 0 GHADHM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc([O-])cc(Br)c2)s1 ZINC000528921243 875273833 /nfs/dbraw/zinc/27/38/33/875273833.db2.gz XBCXPBYWQGKTAC-UHFFFAOYSA-N -1 3 394.294 3.753 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)nc21 ZINC000804463560 882913399 /nfs/dbraw/zinc/91/33/99/882913399.db2.gz DWEWZILFYPLYLE-UHFFFAOYSA-N -1 3 399.275 3.899 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000771705606 875396974 /nfs/dbraw/zinc/39/69/74/875396974.db2.gz GKIIVUOFZSUIAT-XTZNXHDOSA-N -1 3 391.254 3.687 20 0 GHADHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529040899 875469805 /nfs/dbraw/zinc/46/98/05/875469805.db2.gz OAYFYBVYXYUGFK-LBPRGKRZSA-N -1 3 395.322 3.735 20 0 GHADHM CCOc1nc(C(=O)[N-]c2cc(-c3ccccc3Br)no2)co1 ZINC000776144422 875572256 /nfs/dbraw/zinc/57/22/56/875572256.db2.gz OQWFIHPLEKEQQG-UHFFFAOYSA-N -1 3 378.182 3.743 20 0 GHADHM COc1cc(C(=O)Nc2nc(C)ccc2[O-])cc(OC)c1OCc1ccccc1 ZINC000542444780 875574560 /nfs/dbraw/zinc/57/45/60/875574560.db2.gz VOLVNDJCVONCOA-UHFFFAOYSA-N -1 3 394.427 3.944 20 0 GHADHM CC(C)(F)c1ncncc1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201283578 875590789 /nfs/dbraw/zinc/59/07/89/875590789.db2.gz ZRBAHAMXJPQUDA-UHFFFAOYSA-N -1 3 396.246 3.606 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)cc1N ZINC001201314239 875626018 /nfs/dbraw/zinc/62/60/18/875626018.db2.gz HSQYPVGXADSFCK-UHFFFAOYSA-N -1 3 381.457 3.630 20 0 GHADHM O=C(CN(Cc1cccc(-c2cccnc2)c1)C1CC1)[N-]OCc1ccccc1 ZINC000772222797 875782702 /nfs/dbraw/zinc/78/27/02/875782702.db2.gz ILMNQGBIWMVDFX-UHFFFAOYSA-N -1 3 387.483 3.961 20 0 GHADHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000529209730 875830161 /nfs/dbraw/zinc/83/01/61/875830161.db2.gz AUPZGTUWVNTAFM-AWEZNQCLSA-N -1 3 389.293 3.801 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1cccc(F)c1Br ZINC001201781843 875878869 /nfs/dbraw/zinc/87/88/69/875878869.db2.gz SRJADHDUJIBWRI-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM O=S(=O)([N-]Cc1ccnc2ccccc12)c1cccc(F)c1Br ZINC001201789096 875884014 /nfs/dbraw/zinc/88/40/14/875884014.db2.gz VBNAGUAWMNLEAI-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-]c1c(F)ccc(F)c1F)c1ncccc1OCc1ccccc1 ZINC001201896891 875911281 /nfs/dbraw/zinc/91/12/81/875911281.db2.gz OHHBXDZOKCBZQW-UHFFFAOYSA-N -1 3 394.374 3.879 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1ncccc1OCc1ccccc1 ZINC001201902285 875917458 /nfs/dbraw/zinc/91/74/58/875917458.db2.gz KZKHFRUNINOBCT-IBGZPJMESA-N -1 3 398.459 3.766 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529254418 875934796 /nfs/dbraw/zinc/93/47/96/875934796.db2.gz DJFUMAXYPQGLDO-JKEMJCCQSA-N -1 3 382.298 3.556 20 0 GHADHM O=S(=O)([N-][C@H]1CC2(CCC2)Oc2ccccc21)c1cnccc1C(F)(F)F ZINC000785502713 876077217 /nfs/dbraw/zinc/07/72/17/876077217.db2.gz WCCPGFIWZAJXFY-AWEZNQCLSA-N -1 3 398.406 3.825 20 0 GHADHM CC(C)(NC(=O)c1cc([O-])cc(Br)c1)c1cc(C(F)(F)F)on1 ZINC000529418355 876112748 /nfs/dbraw/zinc/11/27/48/876112748.db2.gz LZWPWXMQTVDYBQ-UHFFFAOYSA-N -1 3 393.159 3.827 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cc(F)c(F)c(F)c1 ZINC000173134108 876196593 /nfs/dbraw/zinc/19/65/93/876196593.db2.gz QHVYEDDIRJCMTD-SFHVURJKSA-N -1 3 378.375 3.567 20 0 GHADHM CCOCc1ccc(CNC(=O)COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786139082 876469455 /nfs/dbraw/zinc/46/94/55/876469455.db2.gz XMWNSKJFTCJWOL-UHFFFAOYSA-N -1 3 399.468 3.617 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3SCCc4ccccc43)c2)n1 ZINC000173565229 876476488 /nfs/dbraw/zinc/47/64/88/876476488.db2.gz JQRKOSSIVOZHOX-HXUWFJFHSA-N -1 3 391.496 3.968 20 0 GHADHM COC(=O)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000450471098 876483936 /nfs/dbraw/zinc/48/39/36/876483936.db2.gz VKKOCCOGEGKBED-OAHLLOKOSA-N -1 3 399.340 3.513 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccc([O-])cc1 ZINC000007099522 876525900 /nfs/dbraw/zinc/52/59/00/876525900.db2.gz HMOQGSQALCLJEG-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000312835925 876680233 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Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000531396451 879737520 /nfs/dbraw/zinc/73/75/20/879737520.db2.gz UBPUWEWCYFPXEX-ZAAXVRCTSA-N -1 3 394.519 3.500 20 0 GHADHM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc(=O)c3ccccc3[n-]2)CO1 ZINC000617458799 879817364 /nfs/dbraw/zinc/81/73/64/879817364.db2.gz XNTKAIIYERIXEQ-KRWDZBQOSA-N -1 3 376.456 3.738 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccc(F)cc4)n3)nc21 ZINC000494082629 879904817 /nfs/dbraw/zinc/90/48/17/879904817.db2.gz XCZPCZYBUFJQRO-UHFFFAOYSA-N -1 3 396.403 3.864 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@H](C)C(F)(F)C3)nc(=O)c2c1C ZINC000494221837 880015470 /nfs/dbraw/zinc/01/54/70/880015470.db2.gz ALVDYLFPPQYULG-MWLCHTKSSA-N -1 3 399.463 3.508 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(C)c(Br)s1 ZINC000854743089 880034420 /nfs/dbraw/zinc/03/44/20/880034420.db2.gz IDPHAKJDBBQIBU-UHFFFAOYSA-N -1 3 391.237 3.631 20 0 GHADHM O=C([N-]c1nc(-c2cc(Br)cs2)cs1)c1cccc[n+]1[O-] ZINC000112957476 880227823 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GHADHM CCC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000531820968 880555593 /nfs/dbraw/zinc/55/55/93/880555593.db2.gz WUCAJVBTDCPYAZ-LBPRGKRZSA-N -1 3 377.282 3.943 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186275734 880839580 /nfs/dbraw/zinc/83/95/80/880839580.db2.gz GQICVFKAHRZXEG-ZDUSSCGKSA-N -1 3 379.350 3.730 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286193215 912618856 /nfs/dbraw/zinc/61/88/56/912618856.db2.gz VZZGYFAGFCFAKJ-HNNXBMFYSA-N -1 3 378.350 3.951 20 0 GHADHM CCCC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000532023858 880897561 /nfs/dbraw/zinc/89/75/61/880897561.db2.gz CFOVQXIWCOOLSP-UHFFFAOYSA-N -1 3 381.407 3.967 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C3C(C)(C)C3(C)C)[nH]n1)c2=O ZINC001183551076 912620964 /nfs/dbraw/zinc/62/09/64/912620964.db2.gz WCDNBXMJGWZWIJ-UHFFFAOYSA-N -1 3 380.448 3.662 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(Br)nc1 ZINC000792484238 881138816 /nfs/dbraw/zinc/13/88/16/881138816.db2.gz ZNQGWFNFYURSDE-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(Br)nc1 ZINC000792484238 881138825 /nfs/dbraw/zinc/13/88/25/881138825.db2.gz ZNQGWFNFYURSDE-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1ccc(Br)nc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000792483939 881139007 /nfs/dbraw/zinc/13/90/07/881139007.db2.gz VEVPNPBEPSZRMG-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1ccc(Br)nc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792483939 881139013 /nfs/dbraw/zinc/13/90/13/881139013.db2.gz VEVPNPBEPSZRMG-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792486203 881139997 /nfs/dbraw/zinc/13/99/97/881139997.db2.gz QFQAIKUKDIROLC-KSSFIOAISA-N -1 3 384.476 3.921 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000114185457 881185727 /nfs/dbraw/zinc/18/57/27/881185727.db2.gz RCDRQAUPGMCDQI-INIZCTEOSA-N -1 3 390.439 3.660 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000532128289 881200598 /nfs/dbraw/zinc/20/05/98/881200598.db2.gz VVYYRDPMAYAIMA-UHFFFAOYSA-N -1 3 382.729 3.897 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC001170221614 881225955 /nfs/dbraw/zinc/22/59/55/881225955.db2.gz UABUNQPJYHSXLF-UHFFFAOYSA-N -1 3 390.361 3.734 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ncccc1[O-] ZINC000792612701 881338447 /nfs/dbraw/zinc/33/84/47/881338447.db2.gz PERNCNPLSPXOPA-UHFFFAOYSA-N -1 3 391.258 3.577 20 0 GHADHM c1sc(-c2ccccn2)nc1C[N-]c1nnc([C@@H]2Cc3ccccc3O2)o1 ZINC000181753224 883182018 /nfs/dbraw/zinc/18/20/18/883182018.db2.gz KLDHCJQJEGBPEW-INIZCTEOSA-N -1 3 377.429 3.876 20 0 GHADHM COc1cc2c(cc1CN[C@]1(C(=O)[O-])CCC(C)(C)c3ccccc31)OCO2 ZINC000551072452 883234269 /nfs/dbraw/zinc/23/42/69/883234269.db2.gz BDUFMODSKRZGMT-JOCHJYFZSA-N -1 3 383.444 3.565 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(C=Cc4ccco4)s3)c[n-]c12 ZINC000135260088 883275169 /nfs/dbraw/zinc/27/51/69/883275169.db2.gz XZPWWLVVSLPKPY-SNAWJCMRSA-N -1 3 396.403 3.843 20 0 GHADHM CC(C)c1nc2ccccc2n1Cc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000445657620 883307832 /nfs/dbraw/zinc/30/78/32/883307832.db2.gz NNBLFCCYKXYEKA-UHFFFAOYSA-N -1 3 378.388 3.692 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@H](O)c1ccccc1C1CCCCC1 ZINC001183654546 912697579 /nfs/dbraw/zinc/69/75/79/912697579.db2.gz GRUGXRLOWAHTQN-LJQANCHMSA-N -1 3 393.443 3.761 20 0 GHADHM Cc1cccc([C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C(C)C)c1 ZINC000858878499 883423482 /nfs/dbraw/zinc/42/34/82/883423482.db2.gz CQLUVPDAXYURNV-QGZVFWFLSA-N -1 3 399.457 3.792 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804951063 883484337 /nfs/dbraw/zinc/48/43/37/883484337.db2.gz KXOMWDNKAWZVOC-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM O=S(=O)([N-][C@H]1CC2(CCC2)Oc2ccccc21)c1cnc(Cl)c(F)c1 ZINC000805032830 883543076 /nfs/dbraw/zinc/54/30/76/883543076.db2.gz YSOUTCKOHAIQBT-AWEZNQCLSA-N -1 3 382.844 3.599 20 0 GHADHM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cn(C[C@H]2CCOC2)nn1 ZINC000859066352 883567158 /nfs/dbraw/zinc/56/71/58/883567158.db2.gz CNMMLBYRTRSLSV-SECBINFHSA-N -1 3 388.827 3.535 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000609769399 883626426 /nfs/dbraw/zinc/62/64/26/883626426.db2.gz QETAJUZSADNZQJ-MNOVXSKESA-N -1 3 382.320 3.541 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc(C3CC3)c2)ccc1F ZINC001130129940 883688613 /nfs/dbraw/zinc/68/86/13/883688613.db2.gz FFWUUHFBKHHWQE-UHFFFAOYSA-N -1 3 391.464 3.999 20 0 GHADHM O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1[O-] ZINC000487538529 883700605 /nfs/dbraw/zinc/70/06/05/883700605.db2.gz FYALUOGQZAJASQ-UHFFFAOYSA-N -1 3 375.808 3.809 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(Cl)cc21)c1cnccc1C(F)(F)F ZINC000859404283 883797883 /nfs/dbraw/zinc/79/78/83/883797883.db2.gz LZWIAFIJAGENTG-CYBMUJFWSA-N -1 3 376.787 3.720 20 0 GHADHM COc1ccc(CC[C@](C)(NCc2csc(-c3ccccn3)n2)C(=O)[O-])cc1 ZINC000551420442 883845993 /nfs/dbraw/zinc/84/59/93/883845993.db2.gz BJPPYPXRJZSVBY-NRFANRHFSA-N -1 3 397.500 3.779 20 0 GHADHM O=C(/C=C\c1ccsc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000761745442 883976320 /nfs/dbraw/zinc/97/63/20/883976320.db2.gz GEOJJVSJNYBLCC-RJRFIUFISA-N -1 3 390.892 3.998 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1F ZINC000914609814 884325421 /nfs/dbraw/zinc/32/54/21/884325421.db2.gz LQQOGMZCPMMPNX-UHFFFAOYSA-N -1 3 396.459 3.708 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)OCc1ccc(Br)cc1 ZINC000918838080 884419041 /nfs/dbraw/zinc/41/90/41/884419041.db2.gz CUIRHTCZTJQNQP-UHFFFAOYSA-N -1 3 392.253 3.639 20 0 GHADHM COc1cc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cc(OC)c1OC ZINC000556323275 884471763 /nfs/dbraw/zinc/47/17/63/884471763.db2.gz AFGNTYBTMFKNPL-HXOBKFHXSA-N -1 3 399.487 3.925 20 0 GHADHM Cc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1Br ZINC000556323424 884474056 /nfs/dbraw/zinc/47/40/56/884474056.db2.gz LSUJRLSFOWDFIH-SFHVURJKSA-N -1 3 378.241 3.913 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1F)c1cccc(Br)c1Cl ZINC000556334977 884504079 /nfs/dbraw/zinc/50/40/79/884504079.db2.gz ACDGLQZEWZHAOA-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCO[N-]C(=O)CCCc2ccccc2)C1 ZINC000842028146 884600910 /nfs/dbraw/zinc/60/09/10/884600910.db2.gz NKLBEFQLTZYEDY-SFHVURJKSA-N -1 3 376.497 3.704 20 0 GHADHM COc1ccc(-c2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)sc2C)cc1 ZINC000898208092 884632057 /nfs/dbraw/zinc/63/20/57/884632057.db2.gz YCKADXRYARMASZ-CQSZACIVSA-N -1 3 383.473 3.791 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211349 884633515 /nfs/dbraw/zinc/63/35/15/884633515.db2.gz NZKNVIBYWLXWRV-AWEZNQCLSA-N -1 3 392.297 3.607 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221315 884638877 /nfs/dbraw/zinc/63/88/77/884638877.db2.gz JVUCMBWPIPCXIB-UONOGXRCSA-N -1 3 381.398 3.719 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N1CC[C@H](c3cc(=O)[nH][n-]3)C1)ccc2Br ZINC000898222151 884676058 /nfs/dbraw/zinc/67/60/58/884676058.db2.gz UBJPYYIXJWBIBQ-JTQLQIEISA-N -1 3 390.237 3.562 20 0 GHADHM O=C(OCC1CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000918994526 884716755 /nfs/dbraw/zinc/71/67/55/884716755.db2.gz LDODRYJHSDAMCI-UHFFFAOYSA-N -1 3 392.304 3.781 20 0 GHADHM Cc1ccc(CN(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)C2CC2)cc1 ZINC000919046508 884802146 /nfs/dbraw/zinc/80/21/46/884802146.db2.gz JLBSWGYBDOPOMU-UHFFFAOYSA-N -1 3 381.259 3.978 20 0 GHADHM Cc1ccc(-n2c(SCc3nc(C)cc(=O)[n-]3)nnc2-c2ccncc2)cc1 ZINC000761862042 884894801 /nfs/dbraw/zinc/89/48/01/884894801.db2.gz XRDDPBMWRQTSPT-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM CN(Cc1ccc(Br)s1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000008164594 884936287 /nfs/dbraw/zinc/93/62/87/884936287.db2.gz OQIMOCZUZDYXEZ-UHFFFAOYSA-N -1 3 380.263 3.955 20 0 GHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(OC(F)F)c(Br)c1)C2 ZINC000263522628 885061472 /nfs/dbraw/zinc/06/14/72/885061472.db2.gz RSXKYWPBQMNKFZ-MEDUHNTESA-N -1 3 390.224 3.737 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccs1)c1cc(Cl)ccc1C(F)(F)F ZINC000795858157 912893189 /nfs/dbraw/zinc/89/31/89/912893189.db2.gz UMNQKAPAHQCHNM-NSHDSACASA-N -1 3 399.843 3.822 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000556486546 885094459 /nfs/dbraw/zinc/09/44/59/885094459.db2.gz CDUZUODSSXBWHY-UHFFFAOYSA-N -1 3 378.469 3.791 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000914891607 885117584 /nfs/dbraw/zinc/11/75/84/885117584.db2.gz NGMKBEXPWOUVRJ-GOSISDBHSA-N -1 3 382.485 3.996 20 0 GHADHM COCCOc1ccc([C@H](C)NC(=O)c2cc(SC)ccc2[O-])cc1OC ZINC000666573546 885322410 /nfs/dbraw/zinc/32/24/10/885322410.db2.gz QNZUNWMETMYZSW-ZDUSSCGKSA-N -1 3 391.489 3.639 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3CCCCC3)c3ccccc3)n[n-]2)o1 ZINC000919325040 885333258 /nfs/dbraw/zinc/33/32/58/885333258.db2.gz KWVBPSCCMPWWNC-FQEVSTJZSA-N -1 3 393.443 3.889 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3CCCCC3)c3ccccc3)[n-]n2)o1 ZINC000919325040 885333281 /nfs/dbraw/zinc/33/32/81/885333281.db2.gz KWVBPSCCMPWWNC-FQEVSTJZSA-N -1 3 393.443 3.889 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n[n-]2)o1 ZINC000919325397 885335201 /nfs/dbraw/zinc/33/52/01/885335201.db2.gz MYDWRINNADSQIY-STQMWFEESA-N -1 3 385.395 3.540 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)[n-]n2)o1 ZINC000919325397 885335217 /nfs/dbraw/zinc/33/52/17/885335217.db2.gz MYDWRINNADSQIY-STQMWFEESA-N -1 3 385.395 3.540 20 0 GHADHM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1C ZINC000919324267 885378922 /nfs/dbraw/zinc/37/89/22/885378922.db2.gz FELCATMORGOPFB-CYBMUJFWSA-N -1 3 399.447 3.644 20 0 GHADHM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1C ZINC000919324267 885378940 /nfs/dbraw/zinc/37/89/40/885378940.db2.gz FELCATMORGOPFB-CYBMUJFWSA-N -1 3 399.447 3.644 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnn2cc(Br)cnc12 ZINC000131012288 885416039 /nfs/dbraw/zinc/41/60/39/885416039.db2.gz HETJWJZULILAFW-UHFFFAOYSA-N -1 3 398.220 3.708 20 0 GHADHM O=C(OC[C@H]1CCSC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000762153520 885486635 /nfs/dbraw/zinc/48/66/35/885486635.db2.gz USXJXMCGSGSMBK-CYBMUJFWSA-N -1 3 395.477 3.536 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000104770830 885589017 /nfs/dbraw/zinc/58/90/17/885589017.db2.gz ICLFSBXMWCELPZ-LLVKDONJSA-N -1 3 383.835 3.981 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1 ZINC000476402563 885590584 /nfs/dbraw/zinc/59/05/84/885590584.db2.gz GDZZMMRGOATKHN-UHFFFAOYSA-N -1 3 387.910 3.888 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104735070 885592192 /nfs/dbraw/zinc/59/21/92/885592192.db2.gz PPWWONBKLMVBQM-RISCZKNCSA-N -1 3 376.881 3.685 20 0 GHADHM CCC1(CC)[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@@H]1OC ZINC000532467816 885612734 /nfs/dbraw/zinc/61/27/34/885612734.db2.gz HJSTWJLWBBVYSJ-MSOLQXFVSA-N -1 3 384.480 3.873 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000649196950 885622473 /nfs/dbraw/zinc/62/24/73/885622473.db2.gz APIDMUCZFINNSX-SFHVURJKSA-N -1 3 383.448 3.736 20 0 GHADHM CCc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)sc1C ZINC000108547374 885740434 /nfs/dbraw/zinc/74/04/34/885740434.db2.gz FRTBXCNPNAHJRA-UHFFFAOYSA-N -1 3 382.507 3.641 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc2c(c1)CCCC2 ZINC000116951022 886001734 /nfs/dbraw/zinc/00/17/34/886001734.db2.gz WFFPPAPUMICUHP-HRAATJIYSA-N -1 3 392.499 3.753 20 0 GHADHM Cc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055091188 886001795 /nfs/dbraw/zinc/00/17/95/886001795.db2.gz RVWNCMSPBHVYNA-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM CCOc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OCC ZINC000055108435 886005297 /nfs/dbraw/zinc/00/52/97/886005297.db2.gz MLEVVGIEBPCDCK-CYBMUJFWSA-N -1 3 386.448 3.639 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000808110879 886020736 /nfs/dbraw/zinc/02/07/36/886020736.db2.gz ITULTCORPMAOLG-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000117227873 886042771 /nfs/dbraw/zinc/04/27/71/886042771.db2.gz BADQVZOCWNZFFS-UHFFFAOYSA-N -1 3 389.408 3.548 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2cc(NC(C)=O)ccc2[O-])CCCC1 ZINC000055341626 886056481 /nfs/dbraw/zinc/05/64/81/886056481.db2.gz PDZNNLRMGMTJBK-UHFFFAOYSA-N -1 3 382.460 3.601 20 0 GHADHM O=C1O[C@H](CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC12CC2 ZINC000762393722 886120665 /nfs/dbraw/zinc/12/06/65/886120665.db2.gz FIJOERKQTKDZFG-JTQLQIEISA-N -1 3 388.470 3.986 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000118435607 886192858 /nfs/dbraw/zinc/19/28/58/886192858.db2.gz PAPFFDJHUJYJSO-HNNXBMFYSA-N -1 3 375.343 3.610 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)[N-]c2sccc2S(C)(=O)=O)cs1 ZINC000118688721 886241064 /nfs/dbraw/zinc/24/10/64/886241064.db2.gz YEJBISWDEHYQAO-UHFFFAOYSA-N -1 3 378.500 3.836 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001184190885 913050075 /nfs/dbraw/zinc/05/00/75/913050075.db2.gz HYWCKQCZDCNCGT-INIZCTEOSA-N -1 3 382.847 3.632 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000762633622 886578063 /nfs/dbraw/zinc/57/80/63/886578063.db2.gz WKHWDTUBXIAITO-YVEFUNNKSA-N -1 3 377.437 3.671 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1N[C@@H](c1ccccn1)C(F)(F)F ZINC001168492620 886586593 /nfs/dbraw/zinc/58/65/93/886586593.db2.gz YAISBIXLCGPLFU-LBPRGKRZSA-N -1 3 399.398 3.635 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1N[C@@H](c1ccccn1)C(F)(F)F ZINC001168492620 886586612 /nfs/dbraw/zinc/58/66/12/886586612.db2.gz YAISBIXLCGPLFU-LBPRGKRZSA-N -1 3 399.398 3.635 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccc(C)cc3Cl)n[n-]c21 ZINC000808673900 886670815 /nfs/dbraw/zinc/67/08/15/886670815.db2.gz KUGFUHFEMATCKU-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccc(C)cc3Cl)[n-]nc21 ZINC000808673900 886670821 /nfs/dbraw/zinc/67/08/21/886670821.db2.gz KUGFUHFEMATCKU-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cccc4ccccc43)n[n-]c21 ZINC000808676431 886673073 /nfs/dbraw/zinc/67/30/73/886673073.db2.gz LLKFNYBUBKKGKX-ZDUSSCGKSA-N -1 3 389.411 3.909 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000808676431 886673083 /nfs/dbraw/zinc/67/30/83/886673083.db2.gz LLKFNYBUBKKGKX-ZDUSSCGKSA-N -1 3 389.411 3.909 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(CC(C)C)CCC2)cc1Cl ZINC000465500072 886760196 /nfs/dbraw/zinc/76/01/96/886760196.db2.gz YVQNGEANXSZWNP-UHFFFAOYSA-N -1 3 390.908 3.932 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862967608 886792028 /nfs/dbraw/zinc/79/20/28/886792028.db2.gz QFKNYPKDKGLQKW-UHFFFAOYSA-N -1 3 382.508 3.548 20 0 GHADHM O=S(=O)([N-]CC[C@H]1COc2ccccc2O1)c1cccc(Cl)c1Cl ZINC001212204964 886796482 /nfs/dbraw/zinc/79/64/82/886796482.db2.gz ICSSVIGFHIFCGH-NSHDSACASA-N -1 3 388.272 3.502 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1C ZINC000863427504 887098936 /nfs/dbraw/zinc/09/89/36/887098936.db2.gz AALJGEKCBNNXJN-UHFFFAOYSA-N -1 3 390.461 3.541 20 0 GHADHM O=C([O-])[C@@]12CN(Cc3coc(-c4cc(Cl)cc(Cl)c4)n3)C[C@H]1COCC2 ZINC000863467332 887129120 /nfs/dbraw/zinc/12/91/20/887129120.db2.gz SSIMCQNFJDMIDE-SGTLLEGYSA-N -1 3 397.258 3.572 20 0 GHADHM Cc1ccccc1C(F)(F)C[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001131675407 887373693 /nfs/dbraw/zinc/37/36/93/887373693.db2.gz XQOKEIJITGUDOZ-UHFFFAOYSA-N -1 3 392.356 3.711 20 0 GHADHM C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc([O-])c3Br)CC2)C1 ZINC000459323550 887385323 /nfs/dbraw/zinc/38/53/23/887385323.db2.gz ISHNQIHFOREWGN-CQSZACIVSA-N -1 3 395.341 3.625 20 0 GHADHM O=C([O-])[C@H](CCCNCc1cccnc1Br)Cc1ccccc1 ZINC000864505383 887810324 /nfs/dbraw/zinc/81/03/24/887810324.db2.gz JFYDWFAQLAYVIP-OAHLLOKOSA-N -1 3 377.282 3.657 20 0 GHADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CCC=CO1 ZINC000809780183 887831229 /nfs/dbraw/zinc/83/12/29/887831229.db2.gz OSYUFADOWKSFQN-ZVZYQTTQSA-N -1 3 398.425 3.572 20 0 GHADHM COc1ccc(C[C@@H](CNCc2c(F)ccc(F)c2Cl)C(=O)[O-])cc1F ZINC000864531742 887836554 /nfs/dbraw/zinc/83/65/54/887836554.db2.gz JZWZGLFTMLFGLZ-NSHDSACASA-N -1 3 387.785 3.799 20 0 GHADHM COCCOCc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000614838642 887862616 /nfs/dbraw/zinc/86/26/16/887862616.db2.gz BSHXUZONGBQAIB-UHFFFAOYSA-N -1 3 377.506 3.884 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Cl)cc1Cl ZINC000243152973 888039020 /nfs/dbraw/zinc/03/90/20/888039020.db2.gz JOOCWPDBNKRPGZ-UHFFFAOYSA-N -1 3 399.708 3.625 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)c([O-])c1 ZINC001184449018 913207299 /nfs/dbraw/zinc/20/72/99/913207299.db2.gz BSYVZYOOGKMXPR-CQSZACIVSA-N -1 3 377.387 3.583 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2csc(Cc3ccccc3)n2)C1)C(F)(F)F ZINC000810071376 888126030 /nfs/dbraw/zinc/12/60/30/888126030.db2.gz CPXJJMPIWOEWGM-HNNXBMFYSA-N -1 3 397.466 3.624 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1Cl ZINC000055586033 888205564 /nfs/dbraw/zinc/20/55/64/888205564.db2.gz JZCXQTHAXACKFH-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM CCCn1c2ccc(Cl)cc2nc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865346635 888308951 /nfs/dbraw/zinc/30/89/51/888308951.db2.gz NVFLITDKCRHROS-UHFFFAOYSA-N -1 3 390.896 3.960 20 0 GHADHM CC(C)c1ccc(-n2ccnc2SCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000865348342 888309885 /nfs/dbraw/zinc/30/98/85/888309885.db2.gz MMWMVNSTOTUYIR-UHFFFAOYSA-N -1 3 382.489 3.856 20 0 GHADHM O=C1CCCN1Cc1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459374668 888371793 /nfs/dbraw/zinc/37/17/93/888371793.db2.gz LRQCMOQVGBAFNH-UHFFFAOYSA-N -1 3 389.293 3.567 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cnc(Cl)c(F)c1 ZINC000324527589 888412322 /nfs/dbraw/zinc/41/23/22/888412322.db2.gz LSGCHPIYRCLLJE-LBPRGKRZSA-N -1 3 376.837 3.529 20 0 GHADHM C[C@H](CCC(C)(C)C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132323356 888638049 /nfs/dbraw/zinc/63/80/49/888638049.db2.gz PEKFYRIAWDSPFN-LLVKDONJSA-N -1 3 375.560 3.621 20 0 GHADHM O=C(OCCn1cnc2ccsc2c1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810593260 888672061 /nfs/dbraw/zinc/67/20/61/888672061.db2.gz WDKZJBCPUSUFJC-UHFFFAOYSA-N -1 3 379.850 3.511 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032856508 889050870 /nfs/dbraw/zinc/05/08/70/889050870.db2.gz QDKYGGNIFYRPFZ-MRXNPFEDSA-N -1 3 396.424 3.581 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1c(Cl)cccc1Cl ZINC000532858672 889097087 /nfs/dbraw/zinc/09/70/87/889097087.db2.gz MVPQLXVPXFNQMZ-VCTAVGKDSA-N -1 3 376.305 3.619 20 0 GHADHM O=C(CCc1cccc2ccccc21)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000868015078 889258087 /nfs/dbraw/zinc/25/80/87/889258087.db2.gz LNYROJWNQOBKMZ-UHFFFAOYSA-N -1 3 392.421 3.690 20 0 GHADHM CCCc1sc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1Br ZINC001132783288 889528813 /nfs/dbraw/zinc/52/88/13/889528813.db2.gz DOVFIFZXQOMGCX-UHFFFAOYSA-N -1 3 382.283 3.552 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)NCCc1c(F)cccc1F ZINC000811395020 889536324 /nfs/dbraw/zinc/53/63/24/889536324.db2.gz QSCCINLGSRLSEL-UHFFFAOYSA-N -1 3 398.818 3.677 20 0 GHADHM CCOc1cccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811397133 889537612 /nfs/dbraw/zinc/53/76/12/889537612.db2.gz WVDNQZHRAOYHDS-UHFFFAOYSA-N -1 3 392.864 3.755 20 0 GHADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1oc3ccc(Cl)cc3c1C)CCC2 ZINC000533097951 889725461 /nfs/dbraw/zinc/72/54/61/889725461.db2.gz ZAYQCIFAFJZLPR-CYBMUJFWSA-N -1 3 393.896 3.755 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(Cc2cccc(F)c2)CCC(F)(F)CC1 ZINC001184680712 913385125 /nfs/dbraw/zinc/38/51/25/913385125.db2.gz GTJKRAURDJDQJW-UHFFFAOYSA-N -1 3 395.425 3.660 20 0 GHADHM O=C(Cc1ccccc1I)Nc1ccc(Cl)cc1[O-] ZINC000533159358 889872230 /nfs/dbraw/zinc/87/22/30/889872230.db2.gz WUCSBACUMZIZJT-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=S)Nc3ccc(Cl)cc3Cl)c([O-])cc21 ZINC000811720968 889919288 /nfs/dbraw/zinc/91/92/88/889919288.db2.gz KJZOVZNDSKPXMG-UHFFFAOYSA-N -1 3 397.287 3.698 20 0 GHADHM COc1ccc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)nc1Cl ZINC000869635277 890019518 /nfs/dbraw/zinc/01/95/18/890019518.db2.gz GESMQDYIIROYKJ-UHFFFAOYSA-N -1 3 388.705 3.502 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC1CCC1 ZINC000122771275 890073689 /nfs/dbraw/zinc/07/36/89/890073689.db2.gz MICIPLJZOWDTGD-UHFFFAOYSA-N -1 3 390.480 3.855 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000173633708 890412786 /nfs/dbraw/zinc/41/27/86/890412786.db2.gz UONINHFAGURQAJ-LBPRGKRZSA-N -1 3 395.425 3.648 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OCc1ccccc1)c1cccnc1Cl ZINC001184832753 913469673 /nfs/dbraw/zinc/46/96/73/913469673.db2.gz FVLJBOKDZFFWCE-HZPDHXFCSA-N -1 3 380.897 3.541 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000154234807 890682185 /nfs/dbraw/zinc/68/21/85/890682185.db2.gz UIDAPUSWPKONME-LLVKDONJSA-N -1 3 391.349 3.854 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065857435 890700351 /nfs/dbraw/zinc/70/03/51/890700351.db2.gz UDOZNXNDUQHTSV-MRXNPFEDSA-N -1 3 375.425 3.663 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(Cl)c1 ZINC000066445487 890953299 /nfs/dbraw/zinc/95/32/99/890953299.db2.gz GDHHGBOUEDPOSO-MRXNPFEDSA-N -1 3 377.853 3.869 20 0 GHADHM O=c1[n-]c(SC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc2c1cnn2Cc1ccccc1 ZINC000871679011 890969794 /nfs/dbraw/zinc/96/97/94/890969794.db2.gz STVUJOUBHGDASZ-ZOBUZTSGSA-N -1 3 382.489 3.630 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127388804 891034858 /nfs/dbraw/zinc/03/48/58/891034858.db2.gz MGXONUPXOAVRJD-YJBOKZPZSA-N -1 3 392.455 3.929 20 0 GHADHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1OCCCCCO ZINC000871860134 891060371 /nfs/dbraw/zinc/06/03/71/891060371.db2.gz UBVJDFUWUMVUGP-UHFFFAOYSA-N -1 3 385.386 3.663 20 0 GHADHM Cc1nc(CCNCc2cccc(Cl)c2Br)sc1C(=O)[O-] ZINC000871877578 891069139 /nfs/dbraw/zinc/06/91/39/891069139.db2.gz NHKUTEWYMHVGKU-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1csc(-c2cccc(Cl)c2)n1 ZINC000533674767 891084140 /nfs/dbraw/zinc/08/41/40/891084140.db2.gz FSPWYWXLQBMMLD-UHFFFAOYSA-N -1 3 381.848 3.923 20 0 GHADHM COC(=O)c1sccc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000127552040 891122331 /nfs/dbraw/zinc/12/23/31/891122331.db2.gz QCWFUNSIOOVVGT-UHFFFAOYSA-N -1 3 376.178 3.828 20 0 GHADHM CCOC[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000825582594 891152450 /nfs/dbraw/zinc/15/24/50/891152450.db2.gz LUDCBDRGYVRJMJ-ZDUSSCGKSA-N -1 3 387.871 3.936 20 0 GHADHM CCOC[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000825582594 891152458 /nfs/dbraw/zinc/15/24/58/891152458.db2.gz LUDCBDRGYVRJMJ-ZDUSSCGKSA-N -1 3 387.871 3.936 20 0 GHADHM O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2c(cc1[O-])OCO2 ZINC000917101421 891192766 /nfs/dbraw/zinc/19/27/66/891192766.db2.gz XMFMBTSKLMBZCF-BRPSZJMVSA-N -1 3 399.287 3.760 20 0 GHADHM CC1(C)[C@H]2[C@H](CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[C@@H]1O ZINC000872258346 891219058 /nfs/dbraw/zinc/21/90/58/891219058.db2.gz FGJXGALULOPPJG-JECHBYEQSA-N -1 3 385.489 3.638 20 0 GHADHM COCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)ccc1OC ZINC000872401074 891253330 /nfs/dbraw/zinc/25/33/30/891253330.db2.gz FMLSMHYIVUKDRQ-UHFFFAOYSA-N -1 3 375.368 3.719 20 0 GHADHM COc1ccc(CN(C(=O)CO[N-]C(=O)CCC2CCCCC2)C2CC2)cc1 ZINC000747834940 891256005 /nfs/dbraw/zinc/25/60/05/891256005.db2.gz TTZYTAHCIJNGPD-UHFFFAOYSA-N -1 3 388.508 3.595 20 0 GHADHM COCCOCc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000813070084 891256742 /nfs/dbraw/zinc/25/67/42/891256742.db2.gz BVDNQCWICFSABI-UHFFFAOYSA-N -1 3 394.427 3.540 20 0 GHADHM CCOc1cc2c(cc1CN[C@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@H](C)C2 ZINC000825615591 891278674 /nfs/dbraw/zinc/27/86/74/891278674.db2.gz BVPWAUYWNPXTJJ-CHWSQXEVSA-N -1 3 397.454 3.579 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)c1nc(Cc2ccccc2)no1 ZINC000644947992 913558978 /nfs/dbraw/zinc/55/89/78/913558978.db2.gz KXYOQIDNTNIDPL-LSWWBPAMSA-N -1 3 389.521 3.611 20 0 GHADHM Cc1cccc(C2(C(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)CCCC2)c1 ZINC000813283617 891470057 /nfs/dbraw/zinc/47/00/57/891470057.db2.gz XUDJWRUBUTZGQL-INIZCTEOSA-N -1 3 396.453 3.724 20 0 GHADHM Cc1cc(Cl)cnc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000813320097 891478680 /nfs/dbraw/zinc/47/86/80/891478680.db2.gz BSYJXCIWRMZKJE-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1 ZINC000747849408 891489215 /nfs/dbraw/zinc/48/92/15/891489215.db2.gz HJNXLCLECDCLNP-UHFFFAOYSA-N -1 3 388.489 3.654 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)cc1 ZINC000747854917 891612500 /nfs/dbraw/zinc/61/25/00/891612500.db2.gz IURBANSGTCOKEV-NVNXTCNLSA-N -1 3 388.489 3.520 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000067951270 891643642 /nfs/dbraw/zinc/64/36/42/891643642.db2.gz ILTLVRQNHRASKZ-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)cc1)C(C)C ZINC000747854728 891674860 /nfs/dbraw/zinc/67/48/60/891674860.db2.gz GHTPKGIJWHVKRU-UHFFFAOYSA-N -1 3 394.468 3.648 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873645110 891723343 /nfs/dbraw/zinc/72/33/43/891723343.db2.gz UBXPHQLSZDGYCK-JHJVBQTASA-N -1 3 382.291 3.978 20 0 GHADHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1sc(-c2ccccn2)nc1C ZINC001133824280 891783534 /nfs/dbraw/zinc/78/35/34/891783534.db2.gz GEHWWGAKCJWLRW-UHFFFAOYSA-N -1 3 389.383 3.831 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000128383952 891824759 /nfs/dbraw/zinc/82/47/59/891824759.db2.gz BGQBJFKYKQVPEA-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc2sccc2c([O-])c1 ZINC000813667078 891861329 /nfs/dbraw/zinc/86/13/29/891861329.db2.gz DEQIBILWJHVZNP-UHFFFAOYSA-N -1 3 385.420 3.918 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)c(=O)[n-]1 ZINC000747866219 891872001 /nfs/dbraw/zinc/87/20/01/891872001.db2.gz RTTAVPWMAMKZET-UHFFFAOYSA-N -1 3 397.435 3.787 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4)OC[C@H]3C)nc2)n1 ZINC000253597475 891881420 /nfs/dbraw/zinc/88/14/20/891881420.db2.gz OQVYXVPLRDBYNG-BEFAXECRSA-N -1 3 376.460 3.773 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000917411110 891945914 /nfs/dbraw/zinc/94/59/14/891945914.db2.gz ABLIHWKPVPDXFO-UHFFFAOYSA-N -1 3 398.463 3.524 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1[O-] ZINC000128626050 892212084 /nfs/dbraw/zinc/21/20/84/892212084.db2.gz DXDZVVJPNBXGED-UHFFFAOYSA-N -1 3 394.402 3.973 20 0 GHADHM CCC1(CC)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000874626887 892267709 /nfs/dbraw/zinc/26/77/09/892267709.db2.gz GSEAUIIZHSZTTJ-UHFFFAOYSA-N -1 3 393.484 3.749 20 0 GHADHM Cc1nc(NC=C2C(=O)[N-]C(=O)c3ccccc32)sc1Cc1ccccc1F ZINC000917602994 892271302 /nfs/dbraw/zinc/27/13/02/892271302.db2.gz OTGZBNXJLDRWDW-LFIBNONCSA-N -1 3 393.443 3.904 20 0 GHADHM COc1cccc(C(=O)CCCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000497732146 892318482 /nfs/dbraw/zinc/31/84/82/892318482.db2.gz HZQUBIXYXLCUON-UHFFFAOYSA-N -1 3 377.444 3.807 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc(Br)c1OC ZINC000262700453 892326746 /nfs/dbraw/zinc/32/67/46/892326746.db2.gz KKCJBHGJKVQAHZ-MRXNPFEDSA-N -1 3 394.265 3.772 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263174179 892463180 /nfs/dbraw/zinc/46/31/80/892463180.db2.gz SLHAEUJZSKVVGH-KSZLIROESA-N -1 3 382.504 3.982 20 0 GHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000288166181 913678436 /nfs/dbraw/zinc/67/84/36/913678436.db2.gz KMKIIZWOMWCCSM-UHFFFAOYSA-N -1 3 375.856 3.578 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCCC1 ZINC000917895524 892755494 /nfs/dbraw/zinc/75/54/94/892755494.db2.gz IDOIXRAZWYLGEC-INIZCTEOSA-N -1 3 381.929 3.982 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2csc(COc3ccc(C)cc3)n2)c[n-]1 ZINC000814531886 892833085 /nfs/dbraw/zinc/83/30/85/892833085.db2.gz MXOHQSYTYSKKEZ-UHFFFAOYSA-N -1 3 386.429 3.502 20 0 GHADHM COc1cc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc(OC)c1[O-] ZINC000162711067 893054682 /nfs/dbraw/zinc/05/46/82/893054682.db2.gz HTCVBZPMSVTJHK-UHFFFAOYSA-N -1 3 392.455 3.690 20 0 GHADHM Cc1nc(C)c(CCC(=O)Oc2c(Cl)cccc2Br)c(=O)[n-]1 ZINC000876413142 893146144 /nfs/dbraw/zinc/14/61/44/893146144.db2.gz KUPIUVRKPGXJMP-UHFFFAOYSA-N -1 3 385.645 3.753 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1C(C)C ZINC000533871528 893292731 /nfs/dbraw/zinc/29/27/31/893292731.db2.gz BSYYIPGBXNQWCB-UHFFFAOYSA-N -1 3 386.433 3.746 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@]3(C)CCC[C@@H]3C)[n-]c2c(Br)c1 ZINC001134788490 893305864 /nfs/dbraw/zinc/30/58/64/893305864.db2.gz DEBLJALGBCIFCW-HUTHGQBESA-N -1 3 394.269 3.877 20 0 GHADHM COc1ccc(NC[C@@H](OC(C)C)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000876841380 893357539 /nfs/dbraw/zinc/35/75/39/893357539.db2.gz QMNXAMKEKLZYLP-LJQANCHMSA-N -1 3 378.494 3.645 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CC2(CCC2)C1 ZINC000563184839 893451288 /nfs/dbraw/zinc/45/12/88/893451288.db2.gz PFTXSDBJLHQRPR-UHFFFAOYSA-N -1 3 376.400 3.596 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCc2cccs2)s1 ZINC000536703142 893580658 /nfs/dbraw/zinc/58/06/58/893580658.db2.gz OSTRMADZHLEWFG-UHFFFAOYSA-N -1 3 380.354 3.792 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C ZINC000563360705 893661885 /nfs/dbraw/zinc/66/18/85/893661885.db2.gz VEIFIGDVBUBBIY-UHFFFAOYSA-N -1 3 384.461 3.539 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C ZINC000563360705 893661889 /nfs/dbraw/zinc/66/18/89/893661889.db2.gz VEIFIGDVBUBBIY-UHFFFAOYSA-N -1 3 384.461 3.539 20 0 GHADHM CC(C)COc1ccc(C(C)(C)CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000563375527 893680271 /nfs/dbraw/zinc/68/02/71/893680271.db2.gz DNTQZGHDVXCQNU-UHFFFAOYSA-N -1 3 383.492 3.802 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)cc(Cl)c1[O-] ZINC000459510955 893704918 /nfs/dbraw/zinc/70/49/18/893704918.db2.gz ZFJRWHJCLSASCE-QGZVFWFLSA-N -1 3 381.831 3.896 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)C3(F)CCCCC3)[n-]c2c(Br)c1 ZINC001134978075 893760878 /nfs/dbraw/zinc/76/08/78/893760878.db2.gz HRHODHZQYKRRQS-UHFFFAOYSA-N -1 3 398.232 3.723 20 0 GHADHM COc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3[O-])o2)cc1OC ZINC000877908429 893886792 /nfs/dbraw/zinc/88/67/92/893886792.db2.gz OUSLRMJOAXEGON-MRXNPFEDSA-N -1 3 381.432 3.797 20 0 GHADHM FC(F)(F)COCCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000563609215 893964796 /nfs/dbraw/zinc/96/47/96/893964796.db2.gz STDVLHFUFGTPSU-UHFFFAOYSA-N -1 3 387.143 3.727 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1nc2c(c(=O)[n-]1)COCC2)C1CC1 ZINC000878037535 893969124 /nfs/dbraw/zinc/96/91/24/893969124.db2.gz NAVIZZZFNNNUNM-GFCCVEGCSA-N -1 3 393.409 3.999 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000918562177 893990280 /nfs/dbraw/zinc/99/02/80/893990280.db2.gz RIYJBQUGSBWOOW-UHFFFAOYSA-N -1 3 382.851 3.802 20 0 GHADHM C[C@H]1Cc2ccccc2N1C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878219377 894102860 /nfs/dbraw/zinc/10/28/60/894102860.db2.gz KPUPCNUHKPXFSO-INIZCTEOSA-N -1 3 390.487 3.858 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](CC(=O)[N-]OCc2cccnc2)c2ccccc21 ZINC000935016481 894120403 /nfs/dbraw/zinc/12/04/03/894120403.db2.gz JACFLNHOWZXNJP-INIZCTEOSA-N -1 3 383.448 3.558 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[n-]1 ZINC000815720378 894156419 /nfs/dbraw/zinc/15/64/19/894156419.db2.gz COOVYHVUZUDZGL-LBPRGKRZSA-N -1 3 387.436 3.639 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](c4nccs4)C3)cc2)cc(=O)[n-]1 ZINC000878297154 894172490 /nfs/dbraw/zinc/17/24/90/894172490.db2.gz XSIFEWZGWOASKA-AWEZNQCLSA-N -1 3 381.461 3.636 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3nc(-c4cccs4)c[nH]3)nc2)n1 ZINC000563909403 894315009 /nfs/dbraw/zinc/31/50/09/894315009.db2.gz HGNIMVBOBVVEPK-UHFFFAOYSA-N -1 3 378.461 3.870 20 0 GHADHM O=C(NCc1ccccc1N1CCCCC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000935276108 894321946 /nfs/dbraw/zinc/32/19/46/894321946.db2.gz MJUSMJBFPBPTIZ-UHFFFAOYSA-N -1 3 397.425 3.727 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(N3CCc4cc(F)ccc43)CC2)o1 ZINC000878560558 894384947 /nfs/dbraw/zinc/38/49/47/894384947.db2.gz DNBIYNNXQDROGW-UHFFFAOYSA-N -1 3 394.450 3.608 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c([O-])c1 ZINC000127368436 894672684 /nfs/dbraw/zinc/67/26/84/894672684.db2.gz XCFRNPSFUQSRSG-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC3(C=Cc4ccccc4O3)CC2)o1 ZINC000878996875 894771658 /nfs/dbraw/zinc/77/16/58/894771658.db2.gz PLJHFWQPZABURL-UHFFFAOYSA-N -1 3 375.428 3.883 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000537436388 894983997 /nfs/dbraw/zinc/98/39/97/894983997.db2.gz QHTQDTIKJYYLLE-OLZOCXBDSA-N -1 3 383.407 3.717 20 0 GHADHM CCSc1cccc(Br)c1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000564442506 894988334 /nfs/dbraw/zinc/98/83/34/894988334.db2.gz IMGBOWYRLIROTH-UHFFFAOYSA-N -1 3 397.298 3.687 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)c1C ZINC000031722156 895018531 /nfs/dbraw/zinc/01/85/31/895018531.db2.gz QQPYUHKVDBQHGZ-UHFFFAOYSA-N -1 3 388.533 3.788 20 0 GHADHM CCCc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1ccccc1 ZINC000564549853 895071834 /nfs/dbraw/zinc/07/18/34/895071834.db2.gz DJWARWMZDCFAES-UHFFFAOYSA-N -1 3 375.519 3.871 20 0 GHADHM O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ncccc1[O-] ZINC000191595295 895110492 /nfs/dbraw/zinc/11/04/92/895110492.db2.gz NHFPNXBXTZOXPN-UHFFFAOYSA-N -1 3 390.262 3.854 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000816980006 895237144 /nfs/dbraw/zinc/23/71/44/895237144.db2.gz CLVYIRXIKVFELL-IAGOWNOFSA-N -1 3 398.503 3.795 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1C1CCN(C(=O)c2ccccc2[O-])CC1)OCc1ccccc1 ZINC000816986377 895243169 /nfs/dbraw/zinc/24/31/69/895243169.db2.gz DSFXPLXQRUHYQO-WOJBJXKFSA-N -1 3 394.471 3.559 20 0 GHADHM COc1ccc(F)cc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000023578418 895352878 /nfs/dbraw/zinc/35/28/78/895352878.db2.gz UAYXLRJYSCBEQI-VIFPVBQESA-N -1 3 376.409 3.667 20 0 GHADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC000817260590 895427187 /nfs/dbraw/zinc/42/71/87/895427187.db2.gz ABWCNBFYSXUGTB-UHFFFAOYSA-N -1 3 376.459 3.766 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000880230661 895584747 /nfs/dbraw/zinc/58/47/47/895584747.db2.gz MSFKSNSBBLGUQW-NXEZZACHSA-N -1 3 381.420 3.803 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000880230661 895584757 /nfs/dbraw/zinc/58/47/57/895584757.db2.gz MSFKSNSBBLGUQW-NXEZZACHSA-N -1 3 381.420 3.803 20 0 GHADHM COCCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826155747 895658406 /nfs/dbraw/zinc/65/84/06/895658406.db2.gz AHNMBBUQKNNDNZ-HNNXBMFYSA-N -1 3 379.464 3.528 20 0 GHADHM COCCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826155747 895658420 /nfs/dbraw/zinc/65/84/20/895658420.db2.gz AHNMBBUQKNNDNZ-HNNXBMFYSA-N -1 3 379.464 3.528 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCCCc1ccsc1 ZINC000826167032 895731223 /nfs/dbraw/zinc/73/12/23/895731223.db2.gz MPVXNZLDEYEWGF-UHFFFAOYSA-N -1 3 395.282 3.711 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCCCc1ccsc1 ZINC000826167032 895731233 /nfs/dbraw/zinc/73/12/33/895731233.db2.gz MPVXNZLDEYEWGF-UHFFFAOYSA-N -1 3 395.282 3.711 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826169718 895735820 /nfs/dbraw/zinc/73/58/20/895735820.db2.gz BSQGRNNIYUUITH-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000826169718 895735834 /nfs/dbraw/zinc/73/58/34/895735834.db2.gz BSQGRNNIYUUITH-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(N[C@@H](C)Cc2ccc(F)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000817581766 895753346 /nfs/dbraw/zinc/75/33/46/895753346.db2.gz UVLUPSYZNKUBCM-NSHDSACASA-N -1 3 386.876 3.902 20 0 GHADHM COc1ccc2oc([C@H](C)Nc3nc4ccccn4c3-c3nnn[n-]3)c(C)c2c1 ZINC000826213615 896355147 /nfs/dbraw/zinc/35/51/47/896355147.db2.gz DQYJNQIQJZAPGT-LBPRGKRZSA-N -1 3 389.419 3.751 20 0 GHADHM COc1ccc2oc([C@H](C)Nc3nc4ccccn4c3-c3nn[n-]n3)c(C)c2c1 ZINC000826213615 896355165 /nfs/dbraw/zinc/35/51/65/896355165.db2.gz DQYJNQIQJZAPGT-LBPRGKRZSA-N -1 3 389.419 3.751 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000566616650 896425461 /nfs/dbraw/zinc/42/54/61/896425461.db2.gz BAZRCGJPJKCGPW-GJZGRUSLSA-N -1 3 382.439 3.933 20 0 GHADHM Cc1ccnc(-c2noc(CC3CCN(C(=O)c4c(C)cccc4[O-])CC3)n2)c1 ZINC000881654255 896439813 /nfs/dbraw/zinc/43/98/13/896439813.db2.gz MBVHWSHZBGGKIX-UHFFFAOYSA-N -1 3 392.459 3.549 20 0 GHADHM O=c1[n-]nc(SCc2ccc3ccc(Cl)cc3n2)n1C[C@@H]1CCCO1 ZINC000882061376 896635051 /nfs/dbraw/zinc/63/50/51/896635051.db2.gz GCCGQCMVZVHEGE-AWEZNQCLSA-N -1 3 376.869 3.657 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826253273 896714327 /nfs/dbraw/zinc/71/43/27/896714327.db2.gz KNJMTXCERBSRFO-UHFFFAOYSA-N -1 3 382.386 3.977 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826253273 896714334 /nfs/dbraw/zinc/71/43/34/896714334.db2.gz KNJMTXCERBSRFO-UHFFFAOYSA-N -1 3 382.386 3.977 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)CCC(F)(F)F)CC1 ZINC000826254224 896716034 /nfs/dbraw/zinc/71/60/34/896716034.db2.gz AEJABTNPKXXHHA-UHFFFAOYSA-N -1 3 397.401 3.784 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000819637309 896877944 /nfs/dbraw/zinc/87/79/44/896877944.db2.gz VDEWPQCWPFRBOQ-UHFFFAOYSA-N -1 3 394.500 3.691 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([O-])c4ccccc4c3)[C@@H]2C1 ZINC000819691101 896948414 /nfs/dbraw/zinc/94/84/14/896948414.db2.gz YEVCZFATYXULSW-CRAIPNDOSA-N -1 3 382.460 3.627 20 0 GHADHM CCN(CCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1C ZINC001136263619 896989141 /nfs/dbraw/zinc/98/91/41/896989141.db2.gz RNLSOMPSDVCIBA-UHFFFAOYSA-N -1 3 383.879 3.746 20 0 GHADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OCC1CCOCC1 ZINC000130282827 897049223 /nfs/dbraw/zinc/04/92/23/897049223.db2.gz DNOVFOAGRIXQNQ-DEDYPNTBSA-N -1 3 392.455 3.523 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000820214171 897212072 /nfs/dbraw/zinc/21/20/72/897212072.db2.gz XPYCGKXMQMVFPA-HNNXBMFYSA-N -1 3 391.214 3.707 20 0 GHADHM C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358340 897308838 /nfs/dbraw/zinc/30/88/38/897308838.db2.gz MLKNOAMDENVWDD-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358340 897308852 /nfs/dbraw/zinc/30/88/52/897308852.db2.gz MLKNOAMDENVWDD-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000567692329 897339820 /nfs/dbraw/zinc/33/98/20/897339820.db2.gz VXUJSRLYCLUQFB-MSOLQXFVSA-N -1 3 382.464 3.579 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1[O-] ZINC000567954972 897505183 /nfs/dbraw/zinc/50/51/83/897505183.db2.gz RHESZVPBMUCASH-CQSZACIVSA-N -1 3 386.473 3.602 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000289379816 914165972 /nfs/dbraw/zinc/16/59/72/914165972.db2.gz OGOVMGGKCOQNKC-LIRRHRJNSA-N -1 3 383.492 3.740 20 0 GHADHM CC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC(F)(F)C1 ZINC000820877549 897601405 /nfs/dbraw/zinc/60/14/05/897601405.db2.gz BGSNBHAIEGZPHF-UHFFFAOYSA-N -1 3 386.826 3.658 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCO[C@H](c4ccc(F)cc4F)C3)cc(=O)oc12 ZINC000187255444 897668504 /nfs/dbraw/zinc/66/85/04/897668504.db2.gz UYKZPKGEVBUHNG-IBGZPJMESA-N -1 3 387.382 3.659 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c2c1 ZINC000568274579 897708314 /nfs/dbraw/zinc/70/83/14/897708314.db2.gz HDHIZMQIZKSQMF-SWLSCSKDSA-N -1 3 382.382 3.547 20 0 GHADHM CCCn1ccc2cc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)ccc21 ZINC000821149168 897763942 /nfs/dbraw/zinc/76/39/42/897763942.db2.gz UAOUBFICZAPQLX-UHFFFAOYSA-N -1 3 381.827 3.532 20 0 GHADHM CCCn1ccc2cc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)ccc21 ZINC000821149168 897763954 /nfs/dbraw/zinc/76/39/54/897763954.db2.gz UAOUBFICZAPQLX-UHFFFAOYSA-N -1 3 381.827 3.532 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000821366070 897855069 /nfs/dbraw/zinc/85/50/69/897855069.db2.gz XRAAJZRGYDDAFZ-HHHXNRCGSA-N -1 3 388.485 3.674 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275483808 914210977 /nfs/dbraw/zinc/21/09/77/914210977.db2.gz RIYKHZRZRKEBEN-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275483808 914210988 /nfs/dbraw/zinc/21/09/88/914210988.db2.gz RIYKHZRZRKEBEN-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM C[C@@]1(F)CCN(C(=O)CCCCCCCNC(=O)c2ccccc2[O-])C[C@H]1F ZINC001185930696 914211213 /nfs/dbraw/zinc/21/12/13/914211213.db2.gz KMUJXENJMOHBHE-WIYYLYMNSA-N -1 3 396.478 3.761 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCC(F)(F)CC2)cc1)c1ccc2n[nH]cc2c1 ZINC001185996917 914222612 /nfs/dbraw/zinc/22/26/12/914222612.db2.gz RREKHWJMKBCPLH-UHFFFAOYSA-N -1 3 392.431 3.599 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc2ccccc2[nH]1 ZINC001170974554 898171360 /nfs/dbraw/zinc/17/13/60/898171360.db2.gz NMYCADFXMWWQAT-UHFFFAOYSA-N -1 3 389.415 3.713 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000569068521 898317771 /nfs/dbraw/zinc/31/77/71/898317771.db2.gz QGCMESMSCJWLRW-RDTXWAMCSA-N -1 3 376.451 3.599 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000822388821 898333350 /nfs/dbraw/zinc/33/33/50/898333350.db2.gz CDPJIMJESSKAIB-CQSZACIVSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000822388821 898333363 /nfs/dbraw/zinc/33/33/63/898333363.db2.gz CDPJIMJESSKAIB-CQSZACIVSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)sc1C ZINC000822436398 898368857 /nfs/dbraw/zinc/36/88/57/898368857.db2.gz LCVAPFCWIKTCKS-OAHLLOKOSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)sc1C ZINC000822436398 898368870 /nfs/dbraw/zinc/36/88/70/898368870.db2.gz LCVAPFCWIKTCKS-OAHLLOKOSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nn(-c2ccccc2)c(CSc2ncc(C(C)C)n2C)c1-c1nnn[n-]1 ZINC000822486646 898370004 /nfs/dbraw/zinc/37/00/04/898370004.db2.gz RHEBSTJHODJNEY-UHFFFAOYSA-N -1 3 394.508 3.510 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(NCCc3ccccc3)cc2)c(=O)[n-]1 ZINC000109626677 898553510 /nfs/dbraw/zinc/55/35/10/898553510.db2.gz LBMLMZILYBJXRW-UHFFFAOYSA-N -1 3 390.487 3.613 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693233 898571615 /nfs/dbraw/zinc/57/16/15/898571615.db2.gz LUWNOUXACMAWMT-FQEVSTJZSA-N -1 3 396.874 3.767 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1[O-] ZINC000569517586 898738713 /nfs/dbraw/zinc/73/87/13/898738713.db2.gz QJPIYVPSVWFAFP-HXUWFJFHSA-N -1 3 394.515 3.698 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OCc1cccnc1)c1cccc2nn[n-]c21 ZINC000800207250 898743423 /nfs/dbraw/zinc/74/34/23/898743423.db2.gz RNFUILRKPPKJKK-UHFFFAOYSA-N -1 3 394.818 3.942 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OCc1cccnc1)c1cccc2[n-]nnc21 ZINC000800207250 898743432 /nfs/dbraw/zinc/74/34/32/898743432.db2.gz RNFUILRKPPKJKK-UHFFFAOYSA-N -1 3 394.818 3.942 20 0 GHADHM O=C(OCc1cc(Cl)ccc1OCc1cccnc1)c1cccc2n[n-]nc21 ZINC000800207250 898743440 /nfs/dbraw/zinc/74/34/40/898743440.db2.gz RNFUILRKPPKJKK-UHFFFAOYSA-N -1 3 394.818 3.942 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c(C)c1 ZINC001186100546 914305995 /nfs/dbraw/zinc/30/59/95/914305995.db2.gz SHELXTCNZQGJNX-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC001186112849 914310182 /nfs/dbraw/zinc/31/01/82/914310182.db2.gz GLVUCHROENCDDE-UHFFFAOYSA-N -1 3 381.885 3.555 20 0 GHADHM CC[C@H]1CCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570047841 899091847 /nfs/dbraw/zinc/09/18/47/899091847.db2.gz WOTDOYUTFGNGGL-RYUDHWBXSA-N -1 3 377.282 3.847 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646201097 914317779 /nfs/dbraw/zinc/31/77/79/914317779.db2.gz QZNRRWYFTOSZHF-QWHCGFSZSA-N -1 3 397.406 3.579 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3OCCc4ccccc43)c2)n1 ZINC000115032178 899149420 /nfs/dbraw/zinc/14/94/20/899149420.db2.gz TXVNRBGWBNHNIX-HXUWFJFHSA-N -1 3 389.455 3.642 20 0 GHADHM Brc1ccc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nnn[n-]2)c1 ZINC000823832419 899269969 /nfs/dbraw/zinc/26/99/69/899269969.db2.gz NPQZXPUZVDLNKW-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM Brc1ccc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nn[n-]n2)c1 ZINC000823832419 899269985 /nfs/dbraw/zinc/26/99/85/899269985.db2.gz NPQZXPUZVDLNKW-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824079072 899384075 /nfs/dbraw/zinc/38/40/75/899384075.db2.gz MFVFBEBFUUJLCY-RISCZKNCSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824079072 899384087 /nfs/dbraw/zinc/38/40/87/899384087.db2.gz MFVFBEBFUUJLCY-RISCZKNCSA-N -1 3 380.290 3.635 20 0 GHADHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000570581984 899408523 /nfs/dbraw/zinc/40/85/23/899408523.db2.gz NSMZHSQHYMXQRU-UHFFFAOYSA-N -1 3 394.393 3.620 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCSc2nc3ccccc3s2)n1 ZINC000824155317 899430626 /nfs/dbraw/zinc/43/06/26/899430626.db2.gz ZORIRMDEWOBMBE-UHFFFAOYSA-N -1 3 388.518 3.634 20 0 GHADHM O=C(NCC1CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332164756 899447246 /nfs/dbraw/zinc/44/72/46/899447246.db2.gz QWWYJNWOCHGBPH-UHFFFAOYSA-N -1 3 383.673 3.864 20 0 GHADHM COc1ccc(Oc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cn2)cc1 ZINC001136835631 899449493 /nfs/dbraw/zinc/44/94/93/899449493.db2.gz ATKOWLOSCDHZHX-UHFFFAOYSA-N -1 3 378.388 3.508 20 0 GHADHM CSc1nsc([N-]C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)n1 ZINC000289790922 914349915 /nfs/dbraw/zinc/34/99/15/914349915.db2.gz NEKBVXQNSKSTDQ-UHFFFAOYSA-N -1 3 386.524 3.945 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)cc1[O-] ZINC000332247762 899514840 /nfs/dbraw/zinc/51/48/40/899514840.db2.gz BRWWEIJZRZRPTG-INIZCTEOSA-N -1 3 388.489 3.563 20 0 GHADHM Cc1cc(C(=O)CCC(=O)Nc2ncccc2[O-])c(C)cc1Br ZINC001186197444 914356462 /nfs/dbraw/zinc/35/64/62/914356462.db2.gz FWOFBEUXSUTLAN-UHFFFAOYSA-N -1 3 377.238 3.768 20 0 GHADHM Cc1nc(CN2CCN(c3c(C(=O)[O-])cnc4c(C)c(C)ccc43)CC2)cs1 ZINC000570725268 899535464 /nfs/dbraw/zinc/53/54/64/899535464.db2.gz QZBZYUXZHPBRNG-UHFFFAOYSA-N -1 3 396.516 3.637 20 0 GHADHM C[C@H](NC(=O)CCn1cccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479101 899623910 /nfs/dbraw/zinc/62/39/10/899623910.db2.gz LGYMMBKCZGJOHE-INIZCTEOSA-N -1 3 386.459 3.603 20 0 GHADHM C[C@H](NC(=O)CCn1cccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479101 899623921 /nfs/dbraw/zinc/62/39/21/899623921.db2.gz LGYMMBKCZGJOHE-INIZCTEOSA-N -1 3 386.459 3.603 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000332401669 899639786 /nfs/dbraw/zinc/63/97/86/899639786.db2.gz YIURYLBOSWNZMQ-AWEZNQCLSA-N -1 3 387.455 3.959 20 0 GHADHM CCC[C@@H](CC)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000571126453 899753020 /nfs/dbraw/zinc/75/30/20/899753020.db2.gz NDSYTKUCHFQBQF-QGZVFWFLSA-N -1 3 396.534 3.808 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824707120 899778155 /nfs/dbraw/zinc/77/81/55/899778155.db2.gz NSXSDODAQIBMPT-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824707120 899778162 /nfs/dbraw/zinc/77/81/62/899778162.db2.gz NSXSDODAQIBMPT-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000824867969 899877012 /nfs/dbraw/zinc/87/70/12/899877012.db2.gz RRQLUVWVNIKKRX-WCQYABFASA-N -1 3 387.509 3.531 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000824867969 899877017 /nfs/dbraw/zinc/87/70/17/899877017.db2.gz RRQLUVWVNIKKRX-WCQYABFASA-N -1 3 387.509 3.531 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824926380 899892857 /nfs/dbraw/zinc/89/28/57/899892857.db2.gz JWVARTXCUDYGJU-GHMZBOCLSA-N -1 3 399.442 3.767 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824926380 899892863 /nfs/dbraw/zinc/89/28/63/899892863.db2.gz JWVARTXCUDYGJU-GHMZBOCLSA-N -1 3 399.442 3.767 20 0 GHADHM Cc1nc(CN2CCCC23CCN(C(=O)c2ccc([O-])c(F)c2)CC3)cs1 ZINC001186218851 914393951 /nfs/dbraw/zinc/39/39/51/914393951.db2.gz NNSSNKHRKUBVGA-UHFFFAOYSA-N -1 3 389.496 3.567 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C(C)C)C2CC(C)(C)C2)c1 ZINC000571996649 900028942 /nfs/dbraw/zinc/02/89/42/900028942.db2.gz DXDGOLYXDSANIV-UHFFFAOYSA-N -1 3 385.464 3.980 20 0 GHADHM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000572091189 900066066 /nfs/dbraw/zinc/06/60/66/900066066.db2.gz CKSSFRLFEHEWQI-UHFFFAOYSA-N -1 3 388.471 3.652 20 0 GHADHM O=C(C=Cc1ccccc1OC(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825297893 900077228 /nfs/dbraw/zinc/07/72/28/900077228.db2.gz HARMVDMINVOWOD-CMDGGOBGSA-N -1 3 393.365 3.678 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1Cl ZINC000572551330 900218530 /nfs/dbraw/zinc/21/85/30/900218530.db2.gz RZLCRUNUZTVGAI-LBPRGKRZSA-N -1 3 397.855 3.588 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1-n1cccc1 ZINC000826421172 900221230 /nfs/dbraw/zinc/22/12/30/900221230.db2.gz VANKBQWIENDUPF-UHFFFAOYSA-N -1 3 394.435 3.527 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1-n1cccc1 ZINC000826421172 900221243 /nfs/dbraw/zinc/22/12/43/900221243.db2.gz VANKBQWIENDUPF-UHFFFAOYSA-N -1 3 394.435 3.527 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCCc2ccccc21 ZINC000826421222 900225734 /nfs/dbraw/zinc/22/57/34/900225734.db2.gz XRHMRGQPNFFTCB-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC000826421222 900225748 /nfs/dbraw/zinc/22/57/48/900225748.db2.gz XRHMRGQPNFFTCB-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1cc(F)ccc1F ZINC000826421226 900226157 /nfs/dbraw/zinc/22/61/57/900226157.db2.gz XWNDKJRQVNRGIZ-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1cc(F)ccc1F ZINC000826421226 900226165 /nfs/dbraw/zinc/22/61/65/900226165.db2.gz XWNDKJRQVNRGIZ-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1[O-] ZINC000843885790 900288100 /nfs/dbraw/zinc/28/81/00/900288100.db2.gz JVVALDBTOLVGNI-MRXNPFEDSA-N -1 3 380.444 3.512 20 0 GHADHM C[C@H](c1cccc(NCc2cc(=O)[n-]c(-c3ccccc3)n2)c1)N1CCOCC1 ZINC000572943393 900321568 /nfs/dbraw/zinc/32/15/68/900321568.db2.gz NJSZVYMMUSJLNT-QGZVFWFLSA-N -1 3 390.487 3.855 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001143744675 900466835 /nfs/dbraw/zinc/46/68/35/900466835.db2.gz WISSGWYXZBZIFH-YVMONPNESA-N -1 3 379.762 3.762 20 0 GHADHM CCCCc1ncc(CN2CCCC[C@](C)(O)C2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747944 900473993 /nfs/dbraw/zinc/47/39/93/900473993.db2.gz DQRZWXMYJUVBAP-QHCPKHFHSA-N -1 3 399.535 3.709 20 0 GHADHM CCCCc1ncc(CN2C[C@@H](CO)CC[C@H]2C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143749101 900475616 /nfs/dbraw/zinc/47/56/16/900475616.db2.gz ZPCHRYRHWWUIMI-MJGOQNOKSA-N -1 3 399.535 3.565 20 0 GHADHM CCON(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C(C)C ZINC000844081353 900487919 /nfs/dbraw/zinc/48/79/19/900487919.db2.gz FBDLRNAEZHSIOH-UHFFFAOYSA-N -1 3 394.468 3.737 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cnn21 ZINC000885442406 900495135 /nfs/dbraw/zinc/49/51/35/900495135.db2.gz KKUWUTLUMBJMGE-SNVBAGLBSA-N -1 3 398.444 3.588 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc([O-])cc(Br)c2)nc1 ZINC001143843850 900586201 /nfs/dbraw/zinc/58/62/01/900586201.db2.gz YSCHPDOJIIUDCV-UHFFFAOYSA-N -1 3 393.237 3.757 20 0 GHADHM CC1(C)CN(C2(CNc3c4ccccc4nnc3C(=O)[O-])CCCCC2)CCO1 ZINC000844208830 900601826 /nfs/dbraw/zinc/60/18/26/900601826.db2.gz OLNDZPIHTGBMDU-UHFFFAOYSA-N -1 3 398.507 3.554 20 0 GHADHM O=C(Nc1ccc(O)cc1F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826454699 900629082 /nfs/dbraw/zinc/62/90/82/900629082.db2.gz HSRZYJJETCAVBV-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM O=C(Nc1ccc(O)cc1F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826454699 900629085 /nfs/dbraw/zinc/62/90/85/900629085.db2.gz HSRZYJJETCAVBV-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000844242548 900638066 /nfs/dbraw/zinc/63/80/66/900638066.db2.gz DUUCSKJAHVDEFI-NJDAHSKKSA-N -1 3 386.536 3.781 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1CC=CCC1 ZINC000826455631 900646998 /nfs/dbraw/zinc/64/69/98/900646998.db2.gz XBKMQNNDOUBFRE-UHFFFAOYSA-N -1 3 380.383 3.592 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1CC=CCC1 ZINC000826455631 900647010 /nfs/dbraw/zinc/64/70/10/900647010.db2.gz XBKMQNNDOUBFRE-UHFFFAOYSA-N -1 3 380.383 3.592 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccnc(C2CC2)c1 ZINC000826459482 900671257 /nfs/dbraw/zinc/67/12/57/900671257.db2.gz LMORQRSVMFXQQQ-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccnc(C2CC2)c1 ZINC000826459482 900671262 /nfs/dbraw/zinc/67/12/62/900671262.db2.gz LMORQRSVMFXQQQ-UHFFFAOYSA-N -1 3 389.444 3.515 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1Br)C1CC1 ZINC000574453824 900897230 /nfs/dbraw/zinc/89/72/30/900897230.db2.gz ZIOYZZKTDNAOTH-LBPRGKRZSA-N -1 3 382.707 3.578 20 0 GHADHM CCN(CC)[C@@H](CN=c1[n-]nc(-c2ccccn2)s1)c1cccc(OC)c1 ZINC000574716988 900978471 /nfs/dbraw/zinc/97/84/71/900978471.db2.gz CDYHCMHVNXFIRH-SFHVURJKSA-N -1 3 383.521 3.526 20 0 GHADHM Cc1ccc2ccnc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)c2c1 ZINC001144071180 901020365 /nfs/dbraw/zinc/02/03/65/901020365.db2.gz SNEYYMCJMNJWQM-UHFFFAOYSA-N -1 3 389.864 3.820 20 0 GHADHM O=S(=O)([N-]c1ccc2cnccc2c1Cl)c1cncc(Br)c1 ZINC001186413445 914499048 /nfs/dbraw/zinc/49/90/48/914499048.db2.gz MARGXCHNWBEDKN-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000575204626 901157341 /nfs/dbraw/zinc/15/73/41/901157341.db2.gz MMHKOHNEBAWVEP-HNNXBMFYSA-N -1 3 377.301 3.612 20 0 GHADHM Cc1nc(C2CCN(Cc3cc(=O)oc4cc([O-])c(Cl)cc34)CC2)[nH]c1C ZINC000886661299 901212652 /nfs/dbraw/zinc/21/26/52/901212652.db2.gz QYTOXTUAXSYLHY-UHFFFAOYSA-N -1 3 387.867 3.872 20 0 GHADHM O=C(NCc1cccc(Oc2ccccc2)c1)N[N-]C(=O)c1ccccc1F ZINC000047051129 901277981 /nfs/dbraw/zinc/27/79/81/901277981.db2.gz ROEYMZQNDFTKQC-UHFFFAOYSA-N -1 3 379.391 3.762 20 0 GHADHM O=C([N-]c1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccc[n+]1[O-] ZINC000047297523 901766534 /nfs/dbraw/zinc/76/65/34/901766534.db2.gz HGNDGDNASDYHHB-UHFFFAOYSA-N -1 3 380.256 3.926 20 0 GHADHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC(F)(F)CC1 ZINC000576527943 902076997 /nfs/dbraw/zinc/07/69/97/902076997.db2.gz YDASUUMQUQZSPW-UHFFFAOYSA-N -1 3 399.235 3.941 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1OC ZINC000125396524 902207430 /nfs/dbraw/zinc/20/74/30/902207430.db2.gz KZCIMLKILRTPOL-IBGZPJMESA-N -1 3 388.489 3.589 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503535 902285152 /nfs/dbraw/zinc/28/51/52/902285152.db2.gz ZEMSZYRCNGJRQD-GFCCVEGCSA-N -1 3 388.880 3.830 20 0 GHADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000263778769 902516152 /nfs/dbraw/zinc/51/61/52/902516152.db2.gz VBPSYCHMUGYBSG-FQEVSTJZSA-N -1 3 394.515 3.607 20 0 GHADHM CN1C[C@H](c2ccccc2)C2(CCN(Cc3cc(F)c([O-])cc3F)CC2)C1=O ZINC001144654566 902567365 /nfs/dbraw/zinc/56/73/65/902567365.db2.gz PPQDEUJFSNQYHH-QGZVFWFLSA-N -1 3 386.442 3.508 20 0 GHADHM COCCN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000845999230 902581515 /nfs/dbraw/zinc/58/15/15/902581515.db2.gz SZHYCJCMJGUEKW-UHFFFAOYSA-N -1 3 398.931 3.894 20 0 GHADHM COC(=O)c1ccc(CC2CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1 ZINC001144664037 902583965 /nfs/dbraw/zinc/58/39/65/902583965.db2.gz SCDHRYNWJXGTGT-UHFFFAOYSA-N -1 3 375.415 3.912 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(CCc2ccccc2)CC1 ZINC000577285005 902646128 /nfs/dbraw/zinc/64/61/28/902646128.db2.gz GWQDCZSOHXPQCK-SFHVURJKSA-N -1 3 394.515 3.734 20 0 GHADHM COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3CCC(=O)[O-])cs2)cc1 ZINC000577283153 902646636 /nfs/dbraw/zinc/64/66/36/902646636.db2.gz MTGRPANLGOULJZ-KRWDZBQOSA-N -1 3 388.489 3.816 20 0 GHADHM CCc1ccc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC001144827684 902991436 /nfs/dbraw/zinc/99/14/36/902991436.db2.gz OSDOADDLTZIIKS-HSZRJFAPSA-N -1 3 383.488 3.984 20 0 GHADHM CC(C)(C)SCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000264297836 903004163 /nfs/dbraw/zinc/00/41/63/903004163.db2.gz RBHWBJQZPRHEHO-UHFFFAOYSA-N -1 3 384.445 3.547 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc(SC2CCCC2)cc1 ZINC000887649105 903327674 /nfs/dbraw/zinc/32/76/74/903327674.db2.gz JZRGQJVLEDKQAZ-UHFFFAOYSA-N -1 3 376.507 3.827 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000577944193 903372084 /nfs/dbraw/zinc/37/20/84/903372084.db2.gz ZTDDXHQKLYCDHN-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM O=C(NCCCSc1ccc(F)cc1)N[N-]C(=O)c1ccccc1Cl ZINC000043140664 903464304 /nfs/dbraw/zinc/46/43/04/903464304.db2.gz VAAPYDACYZJWMZ-UHFFFAOYSA-N -1 3 381.860 3.606 20 0 GHADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1csc(COc2ccc(F)cc2)n1 ZINC000578137640 903550096 /nfs/dbraw/zinc/55/00/96/903550096.db2.gz PTZBFXHRWJIKEV-PUECVXPYSA-N -1 3 376.453 3.546 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC001146713380 903590495 /nfs/dbraw/zinc/59/04/95/903590495.db2.gz ZKRBTMLGUIPSLL-GJZGRUSLSA-N -1 3 376.497 3.986 20 0 GHADHM Cc1cc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)c(C)s2)no1 ZINC000265314401 903799197 /nfs/dbraw/zinc/79/91/97/903799197.db2.gz JKHLGRMMJCRGPE-UHFFFAOYSA-N -1 3 397.909 3.688 20 0 GHADHM CCS(=O)(=O)N(C)c1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001147765024 903865111 /nfs/dbraw/zinc/86/51/11/903865111.db2.gz RJFJGZPBOSTRLZ-UHFFFAOYSA-N -1 3 390.486 3.645 20 0 GHADHM CCOC(=O)/C=C/c1ccc(Cl)cc1NC(=O)c1cccc(OC)c1[O-] ZINC001148208056 904006910 /nfs/dbraw/zinc/00/69/10/904006910.db2.gz YIGXIYSJXXOYSX-CSKARUKUSA-N -1 3 375.808 3.883 20 0 GHADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cnc2Cl)s1 ZINC000048742787 904087945 /nfs/dbraw/zinc/08/79/45/904087945.db2.gz GRJVJJJLLKZKJF-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM COC(=O)c1cc(Br)c(NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC001148500665 904099793 /nfs/dbraw/zinc/09/97/93/904099793.db2.gz RRRHAVXGRVUIEY-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000578756465 904101691 /nfs/dbraw/zinc/10/16/91/904101691.db2.gz UMLMJNMGHBTWKJ-HZPDHXFCSA-N -1 3 387.398 3.884 20 0 GHADHM CC(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2c(C)cccc2C)ccc1[O-] ZINC001148655408 904137838 /nfs/dbraw/zinc/13/78/38/904137838.db2.gz BQLIONDKVUNRBE-LJQANCHMSA-N -1 3 394.471 3.845 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3noc4c3C[C@H](C)CC4)c2)n1 ZINC000578829458 904156328 /nfs/dbraw/zinc/15/63/28/904156328.db2.gz MTXHJAOLNSWYDR-GFCCVEGCSA-N -1 3 378.432 3.777 20 0 GHADHM CC(=O)c1cc(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)ccc1[O-] ZINC001148661909 904162184 /nfs/dbraw/zinc/16/21/84/904162184.db2.gz FVSOCZCGYLZMHB-NSHDSACASA-N -1 3 388.261 3.944 20 0 GHADHM CC(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)ccc1[O-] ZINC001148663174 904162453 /nfs/dbraw/zinc/16/24/53/904162453.db2.gz WOEIOSPURVJPFU-OLMNPRSZSA-N -1 3 387.476 3.710 20 0 GHADHM O=C(Nc1ccc2c(Br)[nH]nc2c1)c1cc(F)c(F)c([O-])c1F ZINC001186778810 914801550 /nfs/dbraw/zinc/80/15/50/914801550.db2.gz FOVLMUBMDVAFOK-UHFFFAOYSA-N -1 3 386.127 3.701 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000579087906 904341445 /nfs/dbraw/zinc/34/14/45/904341445.db2.gz FZIXSSTXTMLRTR-AWEZNQCLSA-N -1 3 375.444 3.530 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1 ZINC000579204290 904426011 /nfs/dbraw/zinc/42/60/11/904426011.db2.gz MGDTWJPUWFZTRO-PKOBYXMFSA-N -1 3 385.464 3.694 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000579482467 904640161 /nfs/dbraw/zinc/64/01/61/904640161.db2.gz UGIJCUFUTXXHST-XYPYZODXSA-N -1 3 378.416 3.842 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OC)cc2)cc1CC ZINC000160082395 904683024 /nfs/dbraw/zinc/68/30/24/904683024.db2.gz GAVSOCGMIDZNKA-UHFFFAOYSA-N -1 3 376.478 3.815 20 0 GHADHM CN(C)[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000646818835 914865383 /nfs/dbraw/zinc/86/53/83/914865383.db2.gz BTMPCSCERFFESF-OAHLLOKOSA-N -1 3 388.336 3.722 20 0 GHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC001171870298 905116502 /nfs/dbraw/zinc/11/65/02/905116502.db2.gz QNJYCFVDEDGEEV-GFCCVEGCSA-N -1 3 389.498 3.544 20 0 GHADHM Cc1cn(CC(=O)Nc2c(C)c(Br)ccc2[O-])nc1C(F)(F)F ZINC000627567953 905621486 /nfs/dbraw/zinc/62/14/86/905621486.db2.gz IMSVJCUSIXEMLK-UHFFFAOYSA-N -1 3 392.175 3.626 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@@H]([C@@H]4CCCC4(C)C)C3)c(=O)c2c(OC)c1 ZINC000627921664 905839060 /nfs/dbraw/zinc/83/90/60/905839060.db2.gz IEBSBRBLUOJQGH-PBHICJAKSA-N -1 3 398.503 3.834 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000176416080 905840651 /nfs/dbraw/zinc/84/06/51/905840651.db2.gz KCGUFLVIFKDUKG-UHFFFAOYSA-N -1 3 375.494 3.786 20 0 GHADHM CCOc1cc(CN2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cc(Br)c1OC ZINC000901521786 921197603 /nfs/dbraw/zinc/19/76/03/921197603.db2.gz HDCRXAGGKMBIIJ-ACJLOTCBSA-N -1 3 398.297 3.543 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1 ZINC000628374656 906079357 /nfs/dbraw/zinc/07/93/57/906079357.db2.gz VMKFSIHIBZTXNV-UHFFFAOYSA-N -1 3 391.397 3.720 20 0 GHADHM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000629245859 906620727 /nfs/dbraw/zinc/62/07/27/906620727.db2.gz KFFHZWMKTSZCGQ-AAEUAGOBSA-N -1 3 376.250 3.879 20 0 GHADHM CCOC1(CS(=O)(=O)[N-]c2cccc(-c3cccs3)c2)CCOCC1 ZINC000629289162 906677046 /nfs/dbraw/zinc/67/70/46/906677046.db2.gz XPZSIZDBUYEDJC-UHFFFAOYSA-N -1 3 381.519 3.743 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)cc(C)c1F ZINC000629332706 906718692 /nfs/dbraw/zinc/71/86/92/906718692.db2.gz LBBJQBVOHSFMBQ-LLVKDONJSA-N -1 3 376.453 3.713 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)[O-])cs1 ZINC000629377667 906748641 /nfs/dbraw/zinc/74/86/41/906748641.db2.gz OHRQGDAODREGDP-CMPLNLGQSA-N -1 3 381.295 3.982 20 0 GHADHM Cc1ccc(F)c(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c1 ZINC001174112064 906805895 /nfs/dbraw/zinc/80/58/95/906805895.db2.gz WMTLRCPQTBYKTD-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM COc1cc(C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)cc(OC)c1[O-] ZINC000629754975 907014551 /nfs/dbraw/zinc/01/45/51/907014551.db2.gz AUMYHICSMCWJFD-OAHLLOKOSA-N -1 3 379.403 3.748 20 0 GHADHM O=C([O-])C1(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCCCC1 ZINC000299364469 921304098 /nfs/dbraw/zinc/30/40/98/921304098.db2.gz WDYHHXZPKXUBFJ-HXUWFJFHSA-N -1 3 386.536 3.973 20 0 GHADHM CC(C)(c1csc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)n1)c1ccccc1 ZINC000630531511 907312363 /nfs/dbraw/zinc/31/23/63/907312363.db2.gz AQSRIYZWIQDPPE-NSHDSACASA-N -1 3 383.395 3.846 20 0 GHADHM Cc1cc(CN2CCC(c3nc(C4CCC4)no3)CC2)cc(C)c1OCC(=O)[O-] ZINC000901543732 921341742 /nfs/dbraw/zinc/34/17/42/921341742.db2.gz KOXKGTWBSNWJCC-UHFFFAOYSA-N -1 3 399.491 3.797 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(OC[C@H]4CCCO4)CC3)o2)cc1 ZINC000901544519 921342626 /nfs/dbraw/zinc/34/26/26/921342626.db2.gz QVPLNOVIYOVHIW-HXUWFJFHSA-N -1 3 385.460 3.805 20 0 GHADHM C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000632051528 907910515 /nfs/dbraw/zinc/91/05/15/907910515.db2.gz OWSOCWOETMVBTF-QWHCGFSZSA-N -1 3 391.484 3.923 20 0 GHADHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000632051145 907911035 /nfs/dbraw/zinc/91/10/35/907911035.db2.gz CTKRCPRPHSHXTL-UHFFFAOYSA-N -1 3 392.286 3.886 20 0 GHADHM O=c1[nH]cc(S(=O)(=O)[N-][C@H](c2c(Cl)cccc2Cl)C2CC2)s1 ZINC000632342735 908020442 /nfs/dbraw/zinc/02/04/42/908020442.db2.gz UGUBPCJOAOAVHJ-LBPRGKRZSA-N -1 3 379.290 3.585 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cnc(C)s2)s1 ZINC000632650193 908069692 /nfs/dbraw/zinc/06/96/92/908069692.db2.gz BYHMMDBKUNNIEP-SSDOTTSWSA-N -1 3 381.342 3.623 20 0 GHADHM O=C(NCc1cc2cc(Br)ccc2o1)c1nnc2ccccc2c1[O-] ZINC001176426050 908086791 /nfs/dbraw/zinc/08/67/91/908086791.db2.gz SIFNVBJBUMWYQM-UHFFFAOYSA-N -1 3 398.216 3.774 20 0 GHADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000633250759 908255644 /nfs/dbraw/zinc/25/56/44/908255644.db2.gz NNKHJPCRSLDMCZ-SNVBAGLBSA-N -1 3 397.294 3.984 20 0 GHADHM O=C([O-])CCN(Cc1nc(-c2ccc(Br)cc2)c[nH]1)CC1CC1 ZINC000901612412 921397877 /nfs/dbraw/zinc/39/78/77/921397877.db2.gz CENJPTSKSZWDPO-UHFFFAOYSA-N -1 3 378.270 3.526 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)C=Cc1ccccc1Br ZINC000779807480 908802295 /nfs/dbraw/zinc/80/22/95/908802295.db2.gz YTYSGQOGROFZMO-SREVYHEPSA-N -1 3 392.225 3.831 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2coc(-c3ccccc3C(F)(F)F)n2)C[C@H]1C1CC1 ZINC000634692533 908802363 /nfs/dbraw/zinc/80/23/63/908802363.db2.gz CKKIYHUJDJQCJH-LSDHHAIUSA-N -1 3 380.366 3.903 20 0 GHADHM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000634832421 908839234 /nfs/dbraw/zinc/83/92/34/908839234.db2.gz CWWDATTTYSIFOF-AUSIDOKSSA-N -1 3 388.552 3.779 20 0 GHADHM COc1ccc(NCc2cccc3c(OC)cccc23)cc1[N-]S(C)(=O)=O ZINC001178041932 908882558 /nfs/dbraw/zinc/88/25/58/908882558.db2.gz KOBMYCSNUCAWIM-UHFFFAOYSA-N -1 3 386.473 3.841 20 0 GHADHM CC[C@H](C)NC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194502833 908949113 /nfs/dbraw/zinc/94/91/13/908949113.db2.gz YGNOJVPLJZCUFI-QWRGUYRKSA-N -1 3 391.518 3.954 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCC(F)(F)CN1C(=O)OC(C)(C)C ZINC001178606152 909139431 /nfs/dbraw/zinc/13/94/31/909139431.db2.gz CYTIJFCCMJRWMH-CYBMUJFWSA-N -1 3 398.406 3.568 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)COc2ccc(Cl)c3ccccc23)[n-]n1 ZINC001179076177 909376211 /nfs/dbraw/zinc/37/62/11/909376211.db2.gz TWMJISHWUFGXBZ-UHFFFAOYSA-N -1 3 387.823 3.799 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)COc2ccc(Cl)c3ccccc23)n[n-]1 ZINC001179076177 909376231 /nfs/dbraw/zinc/37/62/31/909376231.db2.gz TWMJISHWUFGXBZ-UHFFFAOYSA-N -1 3 387.823 3.799 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183938 909400413 /nfs/dbraw/zinc/40/04/13/909400413.db2.gz YXCCESIZBLPJSA-BDAKNGLRSA-N -1 3 394.319 3.898 20 0 GHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283100 909518761 /nfs/dbraw/zinc/51/87/61/909518761.db2.gz AGWDBFNIEJJTAG-UHFFFAOYSA-N -1 3 394.378 3.584 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318628 909537767 /nfs/dbraw/zinc/53/77/67/909537767.db2.gz BQHUJMBTFVOUHA-JTQLQIEISA-N -1 3 396.274 3.840 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(C)cc1Br ZINC000636320101 909539789 /nfs/dbraw/zinc/53/97/89/909539789.db2.gz FNESWWAJVZWTOF-UHFFFAOYSA-N -1 3 390.281 3.759 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)cc(=O)oc12 ZINC000245464523 909661027 /nfs/dbraw/zinc/66/10/27/909661027.db2.gz HYVNUBHLUNMBOR-PGGUUEOZSA-N -1 3 385.485 3.737 20 0 GHADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268164456 909783727 /nfs/dbraw/zinc/78/37/27/909783727.db2.gz IULFLVNATWQJQY-AWEZNQCLSA-N -1 3 387.480 3.754 20 0 GHADHM COc1ccc2[nH]c(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)cc2c1 ZINC001179955368 909866671 /nfs/dbraw/zinc/86/66/71/909866671.db2.gz UTVDZNJPOITBRI-UHFFFAOYSA-N -1 3 390.399 3.509 20 0 GHADHM COc1ccc2[nH]c(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)cc2c1 ZINC001179955368 909866680 /nfs/dbraw/zinc/86/66/80/909866680.db2.gz UTVDZNJPOITBRI-UHFFFAOYSA-N -1 3 390.399 3.509 20 0 GHADHM Cc1nn(C)c2ncc(CN[C@@](C)(C(=O)[O-])c3ccc(Cl)c(Cl)c3)cc12 ZINC000901746221 921529852 /nfs/dbraw/zinc/52/98/52/921529852.db2.gz MCKNHSARRGKMDR-GOSISDBHSA-N -1 3 393.274 3.673 20 0 GHADHM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268680994 909973686 /nfs/dbraw/zinc/97/36/86/909973686.db2.gz WZIGJSZSALGNAG-OAQYLSRUSA-N -1 3 382.435 3.911 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2F)[C@H]1Sc1ccccc1 ZINC000901760000 921541471 /nfs/dbraw/zinc/54/14/71/921541471.db2.gz VNBOJMAVKBQFEB-GUDVDZBRSA-N -1 3 375.465 3.952 20 0 GHADHM COc1cccc2c1OC[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])C2 ZINC001180403482 910120754 /nfs/dbraw/zinc/12/07/54/910120754.db2.gz CZAGBJKHLAXUDX-HNNXBMFYSA-N -1 3 399.443 3.546 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)CCC3CC3)c2)c1 ZINC000269615918 910319266 /nfs/dbraw/zinc/31/92/66/910319266.db2.gz MBMWFKLOIXGVMN-UHFFFAOYSA-N -1 3 398.459 3.534 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc(N(C)C)c(F)c3)n[n-]2)cc1 ZINC001180832370 910367664 /nfs/dbraw/zinc/36/76/64/910367664.db2.gz IELAWXMTDQVTHE-UHFFFAOYSA-N -1 3 385.468 3.863 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccnc(OC4CCC4)c3)n[n-]2)cc1 ZINC001180832327 910368314 /nfs/dbraw/zinc/36/83/14/910368314.db2.gz FRNVBMTZGUVOLT-UHFFFAOYSA-N -1 3 395.488 3.984 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H](C)OCc3ccccc3)n[n-]2)cc1 ZINC001180832388 910368486 /nfs/dbraw/zinc/36/84/86/910368486.db2.gz IUEDUYYDFDFUAH-OAHLLOKOSA-N -1 3 382.489 3.949 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000270705312 910668953 /nfs/dbraw/zinc/66/89/53/910668953.db2.gz YZHKQQYXWBUCGE-IUODEOHRSA-N -1 3 385.302 3.548 20 0 GHADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270822916 910709211 /nfs/dbraw/zinc/70/92/11/910709211.db2.gz YXJHRXVISZJJCW-ZDUSSCGKSA-N -1 3 391.489 3.576 20 0 GHADHM COc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)[C@@H](C)CCCO)cc1 ZINC000640015407 910780753 /nfs/dbraw/zinc/78/07/53/910780753.db2.gz CFMGDFPQWOSBNW-AWEZNQCLSA-N -1 3 387.505 3.569 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cc(Br)cnc2Cl)s1 ZINC000299706675 921604750 /nfs/dbraw/zinc/60/47/50/921604750.db2.gz ZWGPNWDWBFWGDM-UHFFFAOYSA-N -1 3 375.679 3.944 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1 ZINC000274282016 911289995 /nfs/dbraw/zinc/28/99/95/911289995.db2.gz YWYNKCIZVYTVIC-SFHVURJKSA-N -1 3 375.472 3.677 20 0 GHADHM CCCOc1c(Cl)cc(CN2CCC[C@@](COC)(C(=O)[O-])C2)cc1OCC ZINC000901865306 921657246 /nfs/dbraw/zinc/65/72/46/921657246.db2.gz OBQIOZRZKVOHMT-HXUWFJFHSA-N -1 3 399.915 3.841 20 0 GHADHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092262690 911461054 /nfs/dbraw/zinc/46/10/54/911461054.db2.gz FTNLYOHWJCIMSB-CQSZACIVSA-N -1 3 390.333 3.808 20 0 GHADHM CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000283343754 911469309 /nfs/dbraw/zinc/46/93/09/911469309.db2.gz HXLYTKMSPWOAKJ-MRXNPFEDSA-N -1 3 398.488 3.690 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000901870443 921663851 /nfs/dbraw/zinc/66/38/51/921663851.db2.gz DKUBMTDUKFNAKG-UHFFFAOYSA-N -1 3 399.882 3.770 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C(C)(C)OC(=O)c2ccccc2)c([O-])c1 ZINC001182722128 911964914 /nfs/dbraw/zinc/96/49/14/911964914.db2.gz FILLARSVJIJVHL-UHFFFAOYSA-N -1 3 399.443 3.922 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000642323589 911981327 /nfs/dbraw/zinc/98/13/27/911981327.db2.gz UAKBCLHBNOFYMF-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646897444 914908188 /nfs/dbraw/zinc/90/81/88/914908188.db2.gz QBMYJDDUQDGAAJ-UHFFFAOYSA-N -1 3 398.347 3.805 20 0 GHADHM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3CCCN(CCc4ccccc4)C3)c2C)o1 ZINC000646921413 914926130 /nfs/dbraw/zinc/92/61/30/914926130.db2.gz ANVLYXOIWAYZDN-LJQANCHMSA-N -1 3 392.503 3.602 20 0 GHADHM O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)c1ccccc1-c1nnn[n-]1 ZINC001187009281 914938075 /nfs/dbraw/zinc/93/80/75/914938075.db2.gz OMXFMQQLQLTUAW-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)c1ccccc1-c1nn[n-]n1 ZINC001187009281 914938084 /nfs/dbraw/zinc/93/80/84/914938084.db2.gz OMXFMQQLQLTUAW-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000291138944 915002194 /nfs/dbraw/zinc/00/21/94/915002194.db2.gz WFRQLKJZVYZUOB-MOPGFXCFSA-N -1 3 384.867 3.744 20 0 GHADHM O=C1CCc2cccc([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)c2N1 ZINC001187070707 915002345 /nfs/dbraw/zinc/00/23/45/915002345.db2.gz GAMLUUNSDAYLTG-UHFFFAOYSA-N -1 3 385.272 3.820 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1)C(C)C ZINC000647123498 915037845 /nfs/dbraw/zinc/03/78/45/915037845.db2.gz ZNPHZSUECJHASE-QGZVFWFLSA-N -1 3 395.550 3.657 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1)C(C)C ZINC000647123497 915038217 /nfs/dbraw/zinc/03/82/17/915038217.db2.gz ZNPHZSUECJHASE-KRWDZBQOSA-N -1 3 395.550 3.657 20 0 GHADHM COc1ccc([C@H](O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000291365716 915134270 /nfs/dbraw/zinc/13/42/70/915134270.db2.gz XOXQNLRVSFFFJN-IBGZPJMESA-N -1 3 375.852 3.640 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2c(C)cccc2F)sc1Br ZINC001187397806 915220564 /nfs/dbraw/zinc/22/05/64/915220564.db2.gz YDWLDXFYYITBLL-UHFFFAOYSA-N -1 3 378.288 3.745 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)sc1C ZINC001187459234 915268535 /nfs/dbraw/zinc/26/85/35/915268535.db2.gz APVKOCMBAZWZSP-UHFFFAOYSA-N -1 3 393.465 3.565 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1F)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001187564235 915364048 /nfs/dbraw/zinc/36/40/48/915364048.db2.gz JQZTURQEAZCTBK-INIZCTEOSA-N -1 3 377.334 3.812 20 0 GHADHM O=C(Nc1ccc([O-])c(I)c1)Nc1cc(F)cc(F)c1 ZINC001187570621 915368688 /nfs/dbraw/zinc/36/86/88/915368688.db2.gz XZZMRJCBKDPFHL-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=c1cc(C(F)(F)F)[nH]cc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187616588 915385151 /nfs/dbraw/zinc/38/51/51/915385151.db2.gz OTKMTQDNQAZJNH-UHFFFAOYSA-N -1 3 396.390 3.944 20 0 GHADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803629 915391023 /nfs/dbraw/zinc/39/10/23/915391023.db2.gz VWIFKVIIDZFDKW-UHFFFAOYSA-N -1 3 384.342 3.773 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)Oc1cccc(F)c1 ZINC001187735270 915492356 /nfs/dbraw/zinc/49/23/56/915492356.db2.gz JVFGYERSPOHJHV-GFCCVEGCSA-N -1 3 377.890 3.985 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cccnc2-c2ccccc2)n[n-]1)c1ccccc1 ZINC001187815803 915533723 /nfs/dbraw/zinc/53/37/23/915533723.db2.gz JOZTXUMHYOQINU-UHFFFAOYSA-N -1 3 383.411 3.544 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc(CO)cc2)cc1 ZINC001187826030 915574776 /nfs/dbraw/zinc/57/47/76/915574776.db2.gz FABUIFNKQHLUHI-UHFFFAOYSA-N -1 3 385.441 3.781 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2)C[C@@H](C)O1 ZINC000292397851 915656819 /nfs/dbraw/zinc/65/68/19/915656819.db2.gz CJYBGNWNZCRVBB-CHWSQXEVSA-N -1 3 388.851 3.547 20 0 GHADHM Cc1cccc(C)c1OC[C@H]([N-]S(=O)(=O)c1ccns1)c1ccccc1 ZINC001187990469 915668769 /nfs/dbraw/zinc/66/87/69/915668769.db2.gz PELKWHJCPCGAHO-KRWDZBQOSA-N -1 3 388.514 3.859 20 0 GHADHM CCc1nccn1[C@@H](C)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000648738470 915848326 /nfs/dbraw/zinc/84/83/26/915848326.db2.gz VDLAUUMHKUDLOK-AWEZNQCLSA-N -1 3 379.464 3.760 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)OC(C)(C)C ZINC001188648398 916077335 /nfs/dbraw/zinc/07/73/35/916077335.db2.gz HYWCSAUXUPHHTE-SFHVURJKSA-N -1 3 396.487 3.792 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cc(F)cc(F)c1F ZINC001188681178 916105005 /nfs/dbraw/zinc/10/50/05/916105005.db2.gz KKOBPTFNNSXYIW-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CCSc1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)c(Br)c1 ZINC001188841434 916215043 /nfs/dbraw/zinc/21/50/43/916215043.db2.gz WPZYQNWAOVOSEN-UHFFFAOYSA-N -1 3 375.675 3.525 20 0 GHADHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000293505098 916234980 /nfs/dbraw/zinc/23/49/80/916234980.db2.gz AEXIDBWKUYMGGZ-LBPRGKRZSA-N -1 3 384.448 3.500 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC001188856630 916260844 /nfs/dbraw/zinc/26/08/44/916260844.db2.gz AHCDXFFRRMVALY-UONOGXRCSA-N -1 3 386.926 3.699 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1)[C@@H]1C[C@H]1C ZINC000649647052 916294604 /nfs/dbraw/zinc/29/46/04/916294604.db2.gz IEDXCQZBYUMSBK-KZULUSFZSA-N -1 3 376.453 3.696 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(C)sc1-n1cccc1 ZINC001189301880 916520830 /nfs/dbraw/zinc/52/08/30/916520830.db2.gz GTQHGLVRUHTNDZ-UHFFFAOYSA-N -1 3 396.428 3.812 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(F)c(F)c(Br)c1 ZINC001189456521 916662287 /nfs/dbraw/zinc/66/22/87/916662287.db2.gz YHSIUQPWBUEHLT-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CCOC(=O)c1coc2cc([N-]S(=O)(=O)Cc3cccc(F)c3F)ccc12 ZINC001189463361 916665699 /nfs/dbraw/zinc/66/56/99/916665699.db2.gz IQORRVIOUVTTLY-UHFFFAOYSA-N -1 3 395.383 3.830 20 0 GHADHM Cc1cc2nsnc2cc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC001189535419 916731340 /nfs/dbraw/zinc/73/13/40/916731340.db2.gz JOLOCKONOHSRGY-UHFFFAOYSA-N -1 3 387.408 3.960 20 0 GHADHM COc1ccc2c(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)cc(=O)oc2c1 ZINC000361666573 916844662 /nfs/dbraw/zinc/84/46/62/916844662.db2.gz IEBRRJLIYXGGEQ-UHFFFAOYSA-N -1 3 393.439 3.602 20 0 GHADHM O=C(NCc1ccc(OC(F)F)cc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189764741 916899852 /nfs/dbraw/zinc/89/98/52/916899852.db2.gz FTJIQKJOBKTIIY-UHFFFAOYSA-N -1 3 377.265 3.822 20 0 GHADHM O=C(N[C@@H]1CCOc2c(F)cc(F)cc21)c1cccc(OC(F)(F)F)c1[O-] ZINC001189774957 916909790 /nfs/dbraw/zinc/90/97/90/916909790.db2.gz LAJADFNZOLCHES-GFCCVEGCSA-N -1 3 389.276 3.823 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000294890481 917035461 /nfs/dbraw/zinc/03/54/61/917035461.db2.gz UYRYBUHOAUGOLH-GJZGRUSLSA-N -1 3 399.491 3.706 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000650505426 917040571 /nfs/dbraw/zinc/04/05/71/917040571.db2.gz CSKMXSRTDDVYJV-RXVVDRJESA-N -1 3 376.472 3.502 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC001190025729 917063199 /nfs/dbraw/zinc/06/31/99/917063199.db2.gz USZKJHXBYBKTTF-DPOKWSEZSA-N -1 3 392.546 3.704 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC3(CC2)O[C@H](C)c2ccccc23)c(OC)c1 ZINC001190137481 917123109 /nfs/dbraw/zinc/12/31/09/917123109.db2.gz LTYLHSXBRYWUMR-CQSZACIVSA-N -1 3 383.444 3.632 20 0 GHADHM COc1cc([O-])c(C(=O)NCc2ccccc2N2CCCCCC2)c(OC)c1 ZINC001190145198 917126068 /nfs/dbraw/zinc/12/60/68/917126068.db2.gz LTWOIGFXBAPBSG-UHFFFAOYSA-N -1 3 384.476 3.720 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCC(C(C)(C)O)CC3)c2)n1 ZINC000651121659 917446938 /nfs/dbraw/zinc/44/69/38/917446938.db2.gz SHJPXXDSUZSQAP-UHFFFAOYSA-N -1 3 383.492 3.927 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ncc(Cl)cc1C(F)(F)F ZINC001190713417 917501134 /nfs/dbraw/zinc/50/11/34/917501134.db2.gz RVVQNZDKANVDAJ-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(Cl)c1 ZINC001191195870 917814908 /nfs/dbraw/zinc/81/49/08/917814908.db2.gz BIBGSOATBZUONV-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)c1 ZINC001191274056 917886148 /nfs/dbraw/zinc/88/61/48/917886148.db2.gz SYEYFMWOFHGQGG-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C1CC1 ZINC000652513675 917917614 /nfs/dbraw/zinc/91/76/14/917917614.db2.gz GXXPNMHKYJHUHS-LSDHHAIUSA-N -1 3 391.265 3.647 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC001191333835 917938688 /nfs/dbraw/zinc/93/86/88/917938688.db2.gz RWNOOLPLWSVJKH-KGLIPLIRSA-N -1 3 393.530 3.793 20 0 GHADHM COc1ccccc1NC(=O)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000775460580 918009769 /nfs/dbraw/zinc/00/97/69/918009769.db2.gz UOLXGJJUYAAVCO-SFHVURJKSA-N -1 3 385.420 3.527 20 0 GHADHM COc1ccccc1NC(=O)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000775460580 918009782 /nfs/dbraw/zinc/00/97/82/918009782.db2.gz UOLXGJJUYAAVCO-SFHVURJKSA-N -1 3 385.420 3.527 20 0 GHADHM O=C(NC1(C2CCC2)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000652869397 918041777 /nfs/dbraw/zinc/04/17/77/918041777.db2.gz LPZTWBVRIBUNQV-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1C ZINC000380363849 918058441 /nfs/dbraw/zinc/05/84/41/918058441.db2.gz ONXUNEOHBWDBHC-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1F ZINC001191792275 918223830 /nfs/dbraw/zinc/22/38/30/918223830.db2.gz KDWZKPBEAPOUCV-UHFFFAOYSA-N -1 3 378.347 3.747 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cnc(F)c(Br)c1 ZINC001191866723 918271018 /nfs/dbraw/zinc/27/10/18/918271018.db2.gz LTXMJOKWDIWSHT-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(OC2CCCCC2)nc1 ZINC001192090404 918385295 /nfs/dbraw/zinc/38/52/95/918385295.db2.gz JFIGWVYNIDRYAA-UHFFFAOYSA-N -1 3 392.253 3.909 20 0 GHADHM CCOc1cc(CNc2cc3c(cc2OC)CCC(=O)N3)cc(Cl)c1[O-] ZINC000297587754 919466630 /nfs/dbraw/zinc/46/66/30/919466630.db2.gz IWIISTIBVLVXOG-UHFFFAOYSA-N -1 3 376.840 3.950 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000119552936 919637556 /nfs/dbraw/zinc/63/75/56/919637556.db2.gz OJNIOCXNKPRGJY-UHFFFAOYSA-N -1 3 375.428 3.611 20 0 GHADHM O=C([O-])CC[C@@H](NCc1cn2ccnc2s1)c1ccc(Br)cc1 ZINC000900047851 919774707 /nfs/dbraw/zinc/77/47/07/919774707.db2.gz WXDAKKVTGSTJPQ-CQSZACIVSA-N -1 3 394.294 3.854 20 0 GHADHM CO[C@H](C)[C@H](NCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000900059947 919785005 /nfs/dbraw/zinc/78/50/05/919785005.db2.gz YAMWOXITDCWALR-QGHHPUGFSA-N -1 3 385.794 3.988 20 0 GHADHM COc1cccc(-c2csc(CNCCc3nc(C(=O)[O-])c(C)s3)n2)c1 ZINC000900059633 919785567 /nfs/dbraw/zinc/78/55/67/919785567.db2.gz QGPHGZRGZHAKMK-UHFFFAOYSA-N -1 3 389.502 3.614 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000800262650 919803640 /nfs/dbraw/zinc/80/36/40/919803640.db2.gz NJDLHRVAUJGAPC-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000800262650 919803651 /nfs/dbraw/zinc/80/36/51/919803651.db2.gz NJDLHRVAUJGAPC-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000800262650 919803656 /nfs/dbraw/zinc/80/36/56/919803656.db2.gz NJDLHRVAUJGAPC-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2scnc2C(F)(F)F)nc1C(C)(C)C ZINC000297874462 919905906 /nfs/dbraw/zinc/90/59/06/919905906.db2.gz WSROBUKVQTXNQA-UHFFFAOYSA-N -1 3 393.412 3.955 20 0 GHADHM CC(C)(C)c1ccc(Cn2nccc2-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000900213008 920016449 /nfs/dbraw/zinc/01/64/49/920016449.db2.gz BITGYZJDRIZXGL-CQSZACIVSA-N -1 3 394.397 3.606 20 0 GHADHM CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000800414814 920048855 /nfs/dbraw/zinc/04/88/55/920048855.db2.gz CTAARHIORWZFRW-UHFFFAOYSA-N -1 3 380.194 3.942 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000298345034 920426938 /nfs/dbraw/zinc/42/69/38/920426938.db2.gz FXKRCFWACANMGA-UHFFFAOYSA-N -1 3 379.460 3.862 20 0 GHADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc(Br)c1 ZINC000298398964 920494845 /nfs/dbraw/zinc/49/48/45/920494845.db2.gz VIZBHBLDIJJJHT-UHFFFAOYSA-N -1 3 378.270 3.547 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000801447890 921033428 /nfs/dbraw/zinc/03/34/28/921033428.db2.gz NODGGGDOJFICER-OAQYLSRUSA-N -1 3 376.497 3.893 20 0 GHADHM Cc1ccccc1OCCN(C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000901416675 921087846 /nfs/dbraw/zinc/08/78/46/921087846.db2.gz DQOYHDTUDNVVKV-UHFFFAOYSA-N -1 3 378.266 3.967 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(CN4CCCCC4=O)CC3)o2)cc1 ZINC000901433064 921101342 /nfs/dbraw/zinc/10/13/42/921101342.db2.gz GUAYVGUSZGBUPY-UHFFFAOYSA-N -1 3 396.487 3.869 20 0 GHADHM CC(C)Oc1ccc(CNCc2cn(CC(=O)[O-])nc2-c2ccccc2)cc1 ZINC000902098175 921876637 /nfs/dbraw/zinc/87/66/37/921876637.db2.gz SBKWGCDTXJHMAB-UHFFFAOYSA-N -1 3 379.460 3.712 20 0 GHADHM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1OC ZINC000902117014 921891925 /nfs/dbraw/zinc/89/19/25/921891925.db2.gz QRLGMBGYFQOESO-LLVKDONJSA-N -1 3 379.840 3.915 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccnc1)c1cccnc1C(F)(F)F ZINC000367744599 922291841 /nfs/dbraw/zinc/29/18/41/922291841.db2.gz CYKHMXPLPPLEMW-INIZCTEOSA-N -1 3 393.390 3.563 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3[nH]nc4c3cccc4OC)c2)n1 ZINC000367973424 922400018 /nfs/dbraw/zinc/40/00/18/922400018.db2.gz KVMARKOLYKWVGE-UHFFFAOYSA-N -1 3 389.415 3.549 20 0 GHADHM O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc([O-])ccc1Cl ZINC000368094245 922470527 /nfs/dbraw/zinc/47/05/27/922470527.db2.gz WZTHDODCEHUJNL-UHFFFAOYSA-N -1 3 399.800 3.858 20 0 GHADHM Cc1ncsc1CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902944251 922625545 /nfs/dbraw/zinc/62/55/45/922625545.db2.gz ZQNJZZAMALICLW-UHFFFAOYSA-N -1 3 399.772 3.969 20 0 GHADHM C[C@@]1(CS(=O)(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)CC1(Cl)Cl ZINC000903102406 922774763 /nfs/dbraw/zinc/77/47/63/922774763.db2.gz YGOFHKGHNPJHIK-JTQLQIEISA-N -1 3 384.153 3.708 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1F ZINC000803643553 923116288 /nfs/dbraw/zinc/11/62/88/923116288.db2.gz LNRKMYJAPRNOGV-VIFPVBQESA-N -1 3 380.204 3.827 20 0 GHADHM CO[C@H]1CCN(Cc2cc(Br)c3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC000903609125 923124063 /nfs/dbraw/zinc/12/40/63/923124063.db2.gz UGTOFNPSBYNKGB-WMLDXEAASA-N -1 3 378.266 3.666 20 0 GHADHM COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000803653920 923126867 /nfs/dbraw/zinc/12/68/67/923126867.db2.gz VIGWYNOMXHVAJN-SUMWQHHRSA-N -1 3 383.469 3.757 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000903921344 923400368 /nfs/dbraw/zinc/40/03/68/923400368.db2.gz JODGHQNHVVPYHI-UHFFFAOYSA-N -1 3 385.304 3.813 20 0 GHADHM O=C([O-])[C@@H]1CCN(CCOc2cc(Cl)ccc2Cl)[C@@H]([C@H]2CCCO2)C1 ZINC000903944229 923423211 /nfs/dbraw/zinc/42/32/11/923423211.db2.gz PTURZBRPVIVGLJ-DAXOMENPSA-N -1 3 388.291 3.716 20 0 GHADHM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000748642228 923769810 /nfs/dbraw/zinc/76/98/10/923769810.db2.gz AODVQOIKRLAZKI-MRXNPFEDSA-N -1 3 397.500 3.569 20 0 GHADHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748642358 923769831 /nfs/dbraw/zinc/76/98/31/923769831.db2.gz FALYMYSASUYQFI-MRXNPFEDSA-N -1 3 386.517 3.591 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3ccnc(Oc4ccccc4)c3)c(=O)c2c1C ZINC000749162431 924056973 /nfs/dbraw/zinc/05/69/73/924056973.db2.gz QIKCPRWWOYLMHX-UHFFFAOYSA-N -1 3 392.440 3.646 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370367060 924057432 /nfs/dbraw/zinc/05/74/32/924057432.db2.gz SHQFFBCKPMNVJX-GOSISDBHSA-N -1 3 391.427 3.599 20 0 GHADHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000677258030 924305173 /nfs/dbraw/zinc/30/51/73/924305173.db2.gz DXRCNMGMUWNKGI-JTQLQIEISA-N -1 3 399.235 3.863 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c(=O)[n-]1 ZINC000371438927 924581616 /nfs/dbraw/zinc/58/16/16/924581616.db2.gz ZRXDEZQGKUMDEE-AWEZNQCLSA-N -1 3 391.874 3.758 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1c(F)cccc1F ZINC000371508888 924620794 /nfs/dbraw/zinc/62/07/94/924620794.db2.gz AWHJSESZUAIBNJ-CYBMUJFWSA-N -1 3 398.413 3.641 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000409493213 924692404 /nfs/dbraw/zinc/69/24/04/924692404.db2.gz HVDDAEDMYKUZPA-OAHLLOKOSA-N -1 3 395.349 3.945 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000678616652 924841956 /nfs/dbraw/zinc/84/19/56/924841956.db2.gz AXPGUIYYZSPXLX-DLBZAZTESA-N -1 3 396.491 3.828 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000410325851 925533711 /nfs/dbraw/zinc/53/37/11/925533711.db2.gz ADKFDDWYOWSXRD-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc12 ZINC000410417241 925620039 /nfs/dbraw/zinc/62/00/39/925620039.db2.gz JOJRFEMLYHQWFK-UHFFFAOYSA-N -1 3 389.239 3.523 20 0 GHADHM CCn1ncc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1-c1ccccc1 ZINC000372850696 925743033 /nfs/dbraw/zinc/74/30/33/925743033.db2.gz RWIOIAICGISRJW-UHFFFAOYSA-N -1 3 399.454 3.881 20 0 GHADHM COc1cccc(S(=O)(=O)[N-][C@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC000681370970 925802183 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20 0 GHADHM O=C(OCc1csc(-c2ccc3c(c2)OCO3)n1)c1cc(-c2ccco2)[n-]n1 ZINC000726636085 926775411 /nfs/dbraw/zinc/77/54/11/926775411.db2.gz WDHVNQFAVZDUJQ-UHFFFAOYSA-N -1 3 395.396 3.879 20 0 GHADHM O=C(OCc1csc(-c2ccc3c(c2)OCO3)n1)c1cc(-c2ccco2)n[n-]1 ZINC000726636085 926775415 /nfs/dbraw/zinc/77/54/15/926775415.db2.gz WDHVNQFAVZDUJQ-UHFFFAOYSA-N -1 3 395.396 3.879 20 0 GHADHM COC(=O)CCSCc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000411996192 926977470 /nfs/dbraw/zinc/97/74/70/926977470.db2.gz APVNLEWXIKXRGT-UHFFFAOYSA-N -1 3 387.457 3.643 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](c3ccc(O)cc3)C3CC3)nc21 ZINC000412209778 927211449 /nfs/dbraw/zinc/21/14/49/927211449.db2.gz YLLONOXYVMOLPM-MRXNPFEDSA-N -1 3 379.416 3.578 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)c1 ZINC000749835005 927304322 /nfs/dbraw/zinc/30/43/22/927304322.db2.gz LKCODFKYAZHODT-UHFFFAOYSA-N -1 3 376.547 3.966 20 0 GHADHM Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([O-])c1 ZINC000750788322 927851582 /nfs/dbraw/zinc/85/15/82/927851582.db2.gz JKICLYTZNFJZPJ-UHFFFAOYSA-N -1 3 387.483 3.522 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1Cl)c1cccc(Cl)c1Cl ZINC000751441340 928195119 /nfs/dbraw/zinc/19/51/19/928195119.db2.gz NKNPWLLMDJHLQE-NSHDSACASA-N -1 3 398.670 3.798 20 0 GHADHM Cc1cc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)nc(-c2ccc(Cl)cc2)n1 ZINC000751670728 928314740 /nfs/dbraw/zinc/31/47/40/928314740.db2.gz GBCDKQVWBDBKDH-UHFFFAOYSA-N -1 3 398.850 3.504 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ncc(Cl)cc1Cl ZINC000751733630 928355337 /nfs/dbraw/zinc/35/53/37/928355337.db2.gz FMQCJWZNHNJZOZ-UHFFFAOYSA-N -1 3 393.585 3.682 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)C[C@H](O)c1cccs1 ZINC000752022736 928555819 /nfs/dbraw/zinc/55/58/19/928555819.db2.gz DNOKJGLVDCTXHU-YGRLFVJLSA-N -1 3 383.466 3.732 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1c(Cl)cccc1Cl ZINC000543995992 928662972 /nfs/dbraw/zinc/66/29/72/928662972.db2.gz HQAXQQGCESXYFA-UHFFFAOYSA-N -1 3 382.272 3.862 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)ccc1C ZINC000467093733 928692084 /nfs/dbraw/zinc/69/20/84/928692084.db2.gz WBEFFJPUMRXTOG-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@@H](C)c3nccs3)cc2)cc(=O)[n-]1 ZINC000544076436 928772473 /nfs/dbraw/zinc/77/24/73/928772473.db2.gz SUBXYTSMESGJGI-GFCCVEGCSA-N -1 3 383.477 3.882 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)NCc3cnc(C)[n-]c3=O)cc2)cc1 ZINC000544253040 928981065 /nfs/dbraw/zinc/98/10/65/928981065.db2.gz IEAASGPWLYIFNQ-UHFFFAOYSA-N -1 3 396.472 3.972 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1C ZINC000467407504 929041122 /nfs/dbraw/zinc/04/11/22/929041122.db2.gz NQSLVPABGIKEKN-UHFFFAOYSA-N -1 3 399.472 3.726 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCCn2c3ccccc3c3ccccc32)c(=O)[n-]1 ZINC000544344927 929075056 /nfs/dbraw/zinc/07/50/56/929075056.db2.gz ROEXTYWEADRYDH-UHFFFAOYSA-N -1 3 388.471 3.656 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)c(C)c1 ZINC000753020082 929161490 /nfs/dbraw/zinc/16/14/90/929161490.db2.gz VQDSIRXKLLWKDY-OAQYLSRUSA-N -1 3 398.484 3.590 20 0 GHADHM COCCn1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c2ccccc21 ZINC000467708441 929323214 /nfs/dbraw/zinc/32/32/14/929323214.db2.gz FSCHKXGVTVGSEJ-UHFFFAOYSA-N -1 3 396.397 3.630 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(Oc2cnccn2)c1 ZINC000467710889 929325168 /nfs/dbraw/zinc/32/51/68/929325168.db2.gz OHRZCCSALHIISM-UHFFFAOYSA-N -1 3 393.353 3.611 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c2c(n1)onc2C(C)C ZINC000467713666 929329090 /nfs/dbraw/zinc/32/90/90/929329090.db2.gz NPFDVKREAHJBEU-UHFFFAOYSA-N -1 3 397.385 3.997 20 0 GHADHM O=C(Cc1ccccc1OC(F)F)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467714894 929330218 /nfs/dbraw/zinc/33/02/18/929330218.db2.gz SUKNQNCTQMJNHM-UHFFFAOYSA-N -1 3 379.313 3.559 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)s1 ZINC000467716686 929332901 /nfs/dbraw/zinc/33/29/01/929332901.db2.gz YJXAGHCAYOWYRO-UHFFFAOYSA-N -1 3 375.400 3.748 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cnc(-c2ccncc2)s1 ZINC000467719099 929334148 /nfs/dbraw/zinc/33/41/48/929334148.db2.gz XIYOKOFRPIIMKW-UHFFFAOYSA-N -1 3 383.383 3.548 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccncc1OCC(F)(F)F ZINC000467769457 929392620 /nfs/dbraw/zinc/39/26/20/929392620.db2.gz OCEMZSGXSUBNTA-UHFFFAOYSA-N -1 3 386.345 3.507 20 0 GHADHM COCC[C@@H]1CCCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000545928092 929686856 /nfs/dbraw/zinc/68/68/56/929686856.db2.gz WJTVHBVKELXSJJ-INIZCTEOSA-N -1 3 384.480 3.828 20 0 GHADHM C[C@H](OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccncc1 ZINC000757686375 929770988 /nfs/dbraw/zinc/77/09/88/929770988.db2.gz CLJLPUBRGVHTFI-KKSFZXQISA-N -1 3 390.439 3.953 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000469393506 929845325 /nfs/dbraw/zinc/84/53/25/929845325.db2.gz OCBYZRULEIRIAO-VLIAUNLRSA-N -1 3 375.415 3.982 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000546132523 929886262 /nfs/dbraw/zinc/88/62/62/929886262.db2.gz APJNXFJTWYCTOT-QUCCMNQESA-N -1 3 395.455 3.785 20 0 GHADHM [O-]C(=NOCC(F)F)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000758827771 930184298 /nfs/dbraw/zinc/18/42/98/930184298.db2.gz ZZMGZLMEFQJZOS-UHFFFAOYSA-N -1 3 392.225 3.815 20 0 GHADHM O=C([N-]OCC(F)F)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000758827771 930184300 /nfs/dbraw/zinc/18/43/00/930184300.db2.gz ZZMGZLMEFQJZOS-UHFFFAOYSA-N -1 3 392.225 3.815 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccccc3)cs2)s1 ZINC000546597930 930285532 /nfs/dbraw/zinc/28/55/32/930285532.db2.gz BHAKNBHEZZDEFM-LLVKDONJSA-N -1 3 379.532 3.869 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000470135741 930398514 /nfs/dbraw/zinc/39/85/14/930398514.db2.gz ZDCIDXZRWXSDOU-UHFFFAOYSA-N -1 3 391.296 3.772 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000759709544 930461635 /nfs/dbraw/zinc/46/16/35/930461635.db2.gz WNDWVJPEIQZWDN-UHFFFAOYSA-N -1 3 392.253 3.937 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1cccc(C(F)F)c1 ZINC000780760608 930592574 /nfs/dbraw/zinc/59/25/74/930592574.db2.gz UJJUOOZXTODSSZ-UHFFFAOYSA-N -1 3 398.500 3.974 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000470446185 930623551 /nfs/dbraw/zinc/62/35/51/930623551.db2.gz ZOZAZVMHVPCUHT-UHFFFAOYSA-N -1 3 390.226 3.688 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N(C)C ZINC000470545377 930702084 /nfs/dbraw/zinc/70/20/84/930702084.db2.gz DYZHUPWMCIZRHP-AWEZNQCLSA-N -1 3 382.869 3.569 20 0 GHADHM O=C(Cc1c[nH]c2cc(F)ccc12)[N-]OCc1ccc(F)cc1Br ZINC000781119877 930706305 /nfs/dbraw/zinc/70/63/05/930706305.db2.gz OWTHYOOASWWTIM-UHFFFAOYSA-N -1 3 395.203 3.999 20 0 GHADHM COc1ccc(OCCC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000781122891 930707781 /nfs/dbraw/zinc/70/77/81/930707781.db2.gz RYKBEKRKRLHKFD-UHFFFAOYSA-N -1 3 398.228 3.614 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000781432208 930843686 /nfs/dbraw/zinc/84/36/86/930843686.db2.gz RXBMVKBGKFTNIY-UHFFFAOYSA-N -1 3 383.408 3.812 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000781432238 930844781 /nfs/dbraw/zinc/84/47/81/930844781.db2.gz UQDFGXCJSKYXPB-UHFFFAOYSA-N -1 3 395.369 3.889 20 0 GHADHM O=C(CCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)OCc1ccccc1 ZINC000781770731 930972874 /nfs/dbraw/zinc/97/28/74/930972874.db2.gz DATBVGXWBMFZLU-UHFFFAOYSA-N -1 3 399.871 3.671 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000782060190 931077291 /nfs/dbraw/zinc/07/72/91/931077291.db2.gz AYIDRGJOQRIVIK-HNNXBMFYSA-N -1 3 390.821 3.775 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)c12 ZINC000782626372 931285215 /nfs/dbraw/zinc/28/52/15/931285215.db2.gz NLXCWHOSHDGJHZ-UHFFFAOYSA-N -1 3 394.387 3.767 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H]2CCCC[C@H]21 ZINC000782810142 931339900 /nfs/dbraw/zinc/33/99/00/931339900.db2.gz LGXXTAUUHCJIKF-UKPHBRMFSA-N -1 3 396.528 3.553 20 0 GHADHM Cc1ccccc1C1(C(=O)OCc2noc(-c3ccccc3[O-])n2)CCOCC1 ZINC000783175779 931447140 /nfs/dbraw/zinc/44/71/40/931447140.db2.gz QCLHBFRHDWZTLA-UHFFFAOYSA-N -1 3 394.427 3.542 20 0 GHADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1N1CCOCC1 ZINC000783631374 931600911 /nfs/dbraw/zinc/60/09/11/931600911.db2.gz LKGYYVJFBIFRPR-UHFFFAOYSA-N -1 3 382.460 3.503 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000697592013 931687102 /nfs/dbraw/zinc/68/71/02/931687102.db2.gz NXWOIUYUFUGQHZ-LBPRGKRZSA-N -1 3 392.887 3.711 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000557819440 931705624 /nfs/dbraw/zinc/70/56/24/931705624.db2.gz AZJNXIDTEZHKNN-VHSXEESVSA-N -1 3 387.420 3.677 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cc(Cl)ccc1Br ZINC000557862110 931728584 /nfs/dbraw/zinc/72/85/84/931728584.db2.gz BXAKWLSZJBAGJU-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000784101137 931784128 /nfs/dbraw/zinc/78/41/28/931784128.db2.gz ASXBAEUWSHKFRF-OAHLLOKOSA-N -1 3 395.198 3.526 20 0 GHADHM COc1ccc(N[C@H](C)CCc2ccc(F)cc2F)cc1[N-]S(C)(=O)=O ZINC000796901220 932103399 /nfs/dbraw/zinc/10/33/99/932103399.db2.gz UKZURVYQYLRGPA-GFCCVEGCSA-N -1 3 384.448 3.778 20 0 GHADHM CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(Br)cc3[O-])ccc21 ZINC000559033378 932385030 /nfs/dbraw/zinc/38/50/30/932385030.db2.gz YCKRNOXVRSTNMO-UHFFFAOYSA-N -1 3 375.222 3.637 20 0 GHADHM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000797826374 932419578 /nfs/dbraw/zinc/41/95/78/932419578.db2.gz SETKSIAQLWPZTL-CQSZACIVSA-N -1 3 390.267 3.587 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)c(F)c2)c(F)cc1F ZINC000559133130 932457196 /nfs/dbraw/zinc/45/71/96/932457196.db2.gz RYBGTEQDYZRAPI-GFCCVEGCSA-N -1 3 395.406 3.638 20 0 GHADHM CC(C)C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000798351180 932609021 /nfs/dbraw/zinc/60/90/21/932609021.db2.gz SLVDDYRUYONLOY-QGZVFWFLSA-N -1 3 399.457 3.874 20 0 GHADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798402060 932631894 /nfs/dbraw/zinc/63/18/94/932631894.db2.gz MZRLYIFGGFIBAJ-HZPDHXFCSA-N -1 3 391.478 3.691 20 0 GHADHM CCC1(CC)CCC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798466051 932658473 /nfs/dbraw/zinc/65/84/73/932658473.db2.gz OMGIPWVDOBZJQN-UHFFFAOYSA-N -1 3 391.478 3.836 20 0 GHADHM O=C([N-]CC1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(F)(F)F ZINC000798956133 932838860 /nfs/dbraw/zinc/83/88/60/932838860.db2.gz ITDBZGLYXLXPFM-UHFFFAOYSA-N -1 3 383.439 3.701 20 0 GHADHM CC(C)c1ccc2cc(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)[nH]c2c1 ZINC000799024145 932854642 /nfs/dbraw/zinc/85/46/42/932854642.db2.gz NBFPPNTWGYOMGW-UHFFFAOYSA-N -1 3 395.425 3.822 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c(F)cc1F ZINC000559841242 932897360 /nfs/dbraw/zinc/89/73/60/932897360.db2.gz PZJYGXPIASTARB-HSZRJFAPSA-N -1 3 393.864 3.606 20 0 GHADHM CCOc1cc(CN2CCN(CC(F)(F)F)CC2(C)C)cc(Cl)c1[O-] ZINC000559928332 932964205 /nfs/dbraw/zinc/96/42/05/932964205.db2.gz LRDQWTNBTMZYSR-UHFFFAOYSA-N -1 3 380.838 3.903 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1C(F)(F)F ZINC000559961272 932981717 /nfs/dbraw/zinc/98/17/17/932981717.db2.gz SHYGLXUQOPVJRF-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM COc1cc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cc2c1OCCO2 ZINC000559989436 933001389 /nfs/dbraw/zinc/00/13/89/933001389.db2.gz KMNREPZWETUZHV-SBUREZEXSA-N -1 3 397.471 3.679 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000928879785 933138194 /nfs/dbraw/zinc/13/81/94/933138194.db2.gz CZIQCJOPGUUOHH-CQSZACIVSA-N -1 3 396.878 3.953 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000560550873 933335264 /nfs/dbraw/zinc/33/52/64/933335264.db2.gz PGUXRXSEPGFYOO-UHFFFAOYSA-N -1 3 385.807 3.870 20 0 GHADHM CCCC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC001116188505 933394154 /nfs/dbraw/zinc/39/41/54/933394154.db2.gz DLRPDCAHSVXTMF-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1CC(=O)OC ZINC001116359234 933507738 /nfs/dbraw/zinc/50/77/38/933507738.db2.gz RXBXYUASMWIXHJ-UHFFFAOYSA-N -1 3 385.489 3.525 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](Cc4nccs4)C3)cc2)cc(=O)[n-]1 ZINC000929763577 933620201 /nfs/dbraw/zinc/62/02/01/933620201.db2.gz MWDHYCCRWHVTSD-CQSZACIVSA-N -1 3 395.488 3.711 20 0 GHADHM CCN(Cc1ccccc1F)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC001116559676 933635004 /nfs/dbraw/zinc/63/50/04/933635004.db2.gz RDSCABRHHMRICS-UHFFFAOYSA-N -1 3 397.406 3.742 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC001116891090 933813587 /nfs/dbraw/zinc/81/35/87/933813587.db2.gz CLAVUFOQXOXAMA-UHFFFAOYSA-N -1 3 391.296 3.682 20 0 GHADHM Cc1ccc2c(c1)S[C@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)C2 ZINC000010417354 933855895 /nfs/dbraw/zinc/85/58/95/933855895.db2.gz WWPISROTASLCEK-HNNXBMFYSA-N -1 3 381.284 3.780 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccsc2C(F)F)cc1OC ZINC000930304903 933972861 /nfs/dbraw/zinc/97/28/61/933972861.db2.gz JYRYXRZXVBKQHX-UHFFFAOYSA-N -1 3 390.433 3.708 20 0 GHADHM COc1ccc(NCc2ccsc2C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC001118801572 934249930 /nfs/dbraw/zinc/24/99/30/934249930.db2.gz TUIYZJOVMGOZSR-UHFFFAOYSA-N -1 3 380.413 3.759 20 0 GHADHM O=C(NOC1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000777964376 934410276 /nfs/dbraw/zinc/41/02/76/934410276.db2.gz ROPIMBJIYKNPAP-UHFFFAOYSA-N -1 3 392.452 3.621 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(N2CCC(O)(C3CCC3)CC2)cc1 ZINC001120964552 934543369 /nfs/dbraw/zinc/54/33/69/934543369.db2.gz ZMDJBYLTGDXNLN-UHFFFAOYSA-N -1 3 386.517 3.619 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCO2)cc1 ZINC000931622009 934647449 /nfs/dbraw/zinc/64/74/49/934647449.db2.gz NDIXBXRPJSZSQT-UHFFFAOYSA-N -1 3 389.477 3.664 20 0 GHADHM O=c1nc(CN2CCc3nc[nH]c3C23CCC3)[n-]c2scc(-c3ccco3)c21 ZINC000931678749 934669819 /nfs/dbraw/zinc/66/98/19/934669819.db2.gz PFTVLSOMWSUHIU-UHFFFAOYSA-N -1 3 393.472 3.818 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(Br)cc2C)cc1OC ZINC000778028716 934728372 /nfs/dbraw/zinc/72/83/72/934728372.db2.gz OWLJXUXLJJUFAK-UHFFFAOYSA-N -1 3 394.265 3.565 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@]3(C)c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001123423222 935189999 /nfs/dbraw/zinc/18/99/99/935189999.db2.gz GGKZJGPFBOFWKF-JOCHJYFZSA-N -1 3 390.491 3.675 20 0 GHADHM COc1nnc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)[n-]1 ZINC001137567699 935590280 /nfs/dbraw/zinc/59/02/80/935590280.db2.gz KJWOLLXNGOYDRJ-UHFFFAOYSA-N -1 3 379.395 3.672 20 0 GHADHM COc1nc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)n[n-]1 ZINC001137567699 935590284 /nfs/dbraw/zinc/59/02/84/935590284.db2.gz KJWOLLXNGOYDRJ-UHFFFAOYSA-N -1 3 379.395 3.672 20 0 GHADHM COc1n[n-]c(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)n1 ZINC001137567699 935590291 /nfs/dbraw/zinc/59/02/91/935590291.db2.gz KJWOLLXNGOYDRJ-UHFFFAOYSA-N -1 3 379.395 3.672 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000829436476 935809797 /nfs/dbraw/zinc/80/97/97/935809797.db2.gz RFXSNRYXVZPUKO-HNNXBMFYSA-N -1 3 378.476 3.925 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829713671 935849845 /nfs/dbraw/zinc/84/98/45/935849845.db2.gz NCSWIYBXTILFGQ-UHFFFAOYSA-N -1 3 388.489 3.932 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)/C(C)=C\c2ccc(Br)o2)c([O-])c1 ZINC001137937979 935880413 /nfs/dbraw/zinc/88/04/13/935880413.db2.gz PSLORQBAOGYNFQ-NTMALXAHSA-N -1 3 394.221 3.966 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001137956185 935890933 /nfs/dbraw/zinc/89/09/33/935890933.db2.gz AQYWPYUGLJVCAF-UHFFFAOYSA-N -1 3 396.434 3.962 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000468957614 944634822 /nfs/dbraw/zinc/63/48/22/944634822.db2.gz NOMKORQDILBBBO-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000468957614 944634827 /nfs/dbraw/zinc/63/48/27/944634827.db2.gz NOMKORQDILBBBO-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1Sc1nc2ccccc2s1 ZINC001573280414 946661419 /nfs/dbraw/zinc/66/14/19/946661419.db2.gz SHDMNWWKYZEEIQ-UHFFFAOYSA-N -1 3 391.279 3.785 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1Sc1nc2ccccc2s1 ZINC001573280414 946661426 /nfs/dbraw/zinc/66/14/26/946661426.db2.gz SHDMNWWKYZEEIQ-UHFFFAOYSA-N -1 3 391.279 3.785 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC001573552664 946876858 /nfs/dbraw/zinc/87/68/58/946876858.db2.gz ABPKZXZUKSCAJA-UHFFFAOYSA-N -1 3 398.426 3.692 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC001573552664 946876867 /nfs/dbraw/zinc/87/68/67/946876867.db2.gz ABPKZXZUKSCAJA-UHFFFAOYSA-N -1 3 398.426 3.692 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001573553617 946889497 /nfs/dbraw/zinc/88/94/97/946889497.db2.gz YZCSXOASMLJSIT-GOSISDBHSA-N -1 3 381.411 3.587 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001573553617 946889512 /nfs/dbraw/zinc/88/95/12/946889512.db2.gz YZCSXOASMLJSIT-GOSISDBHSA-N -1 3 381.411 3.587 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cc2ccccc2o1 ZINC001573608204 947556650 /nfs/dbraw/zinc/55/66/50/947556650.db2.gz WCDJSVLXCPBGHQ-AWEZNQCLSA-N -1 3 387.443 3.908 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cc2ccccc2o1 ZINC001573608204 947556664 /nfs/dbraw/zinc/55/66/64/947556664.db2.gz WCDJSVLXCPBGHQ-AWEZNQCLSA-N -1 3 387.443 3.908 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC001573755138 948757527 /nfs/dbraw/zinc/75/75/27/948757527.db2.gz ATTNQABXQYAAJU-SUMWQHHRSA-N -1 3 395.488 3.772 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001573755138 948757536 /nfs/dbraw/zinc/75/75/36/948757536.db2.gz ATTNQABXQYAAJU-SUMWQHHRSA-N -1 3 395.488 3.772 20 0 GHADHM CC(C)c1ccc(OCCC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001574416796 948763023 /nfs/dbraw/zinc/76/30/23/948763023.db2.gz IMFMQMCGMKWQQX-UHFFFAOYSA-N -1 3 399.882 3.729 20 0 GHADHM CC(C)c1ccc(OCCC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001574416796 948763033 /nfs/dbraw/zinc/76/30/33/948763033.db2.gz IMFMQMCGMKWQQX-UHFFFAOYSA-N -1 3 399.882 3.729 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC001574083048 948870809 /nfs/dbraw/zinc/87/08/09/948870809.db2.gz ORNGQOKQIXMRQU-GUXCAODWSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC001574083048 948870826 /nfs/dbraw/zinc/87/08/26/948870826.db2.gz ORNGQOKQIXMRQU-GUXCAODWSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)(C(=O)N1CC[C@]1(C)C1CCCCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573764366 948890466 /nfs/dbraw/zinc/89/04/66/948890466.db2.gz OAJIKRGQNGEPCL-OAQYLSRUSA-N -1 3 385.487 3.855 20 0 GHADHM CC(C)(C(=O)N1CC[C@]1(C)C1CCCCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573764366 948890487 /nfs/dbraw/zinc/89/04/87/948890487.db2.gz OAJIKRGQNGEPCL-OAQYLSRUSA-N -1 3 385.487 3.855 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cscc1Br ZINC001575509028 949113284 /nfs/dbraw/zinc/11/32/84/949113284.db2.gz BOZNFJUTAOQKDS-SECBINFHSA-N -1 3 392.282 3.524 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cscc1Br ZINC001575509028 949113291 /nfs/dbraw/zinc/11/32/91/949113291.db2.gz BOZNFJUTAOQKDS-SECBINFHSA-N -1 3 392.282 3.524 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001575512536 949142474 /nfs/dbraw/zinc/14/24/74/949142474.db2.gz OBBQSIGIFSSMTO-JTQLQIEISA-N -1 3 375.354 3.777 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001575512536 949142486 /nfs/dbraw/zinc/14/24/86/949142486.db2.gz OBBQSIGIFSSMTO-JTQLQIEISA-N -1 3 375.354 3.777 20 0 GHADHM CC(C)[C@H]1N(c2cc(Br)c(-c3nnn[n-]3)cc2F)CC12CCC2 ZINC001574098573 949159831 /nfs/dbraw/zinc/15/98/31/949159831.db2.gz DEJGQWZJPCKTMA-CQSZACIVSA-N -1 3 380.265 3.783 20 0 GHADHM CC(C)[C@H]1N(c2cc(Br)c(-c3nn[n-]n3)cc2F)CC12CCC2 ZINC001574098573 949159846 /nfs/dbraw/zinc/15/98/46/949159846.db2.gz DEJGQWZJPCKTMA-CQSZACIVSA-N -1 3 380.265 3.783 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)CC[C@@H]3CCCO3)c2-c2nnn[n-]2)C1 ZINC001574100300 949189393 /nfs/dbraw/zinc/18/93/93/949189393.db2.gz UJZCLBOGLIFCCI-STQMWFEESA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)CC[C@@H]3CCCO3)c2-c2nn[n-]n2)C1 ZINC001574100300 949189402 /nfs/dbraw/zinc/18/94/02/949189402.db2.gz UJZCLBOGLIFCCI-STQMWFEESA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC(C)(C)O3)c2-c2nnn[n-]2)C1 ZINC001574100272 949189977 /nfs/dbraw/zinc/18/99/77/949189977.db2.gz SPXLNBLFNODDIJ-DGCLKSJQSA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC(C)(C)O3)c2-c2nn[n-]n2)C1 ZINC001574100272 949189989 /nfs/dbraw/zinc/18/99/89/949189989.db2.gz SPXLNBLFNODDIJ-DGCLKSJQSA-N -1 3 389.525 3.585 20 0 GHADHM CC(C)(C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCCC1 ZINC001573788211 949194515 /nfs/dbraw/zinc/19/45/15/949194515.db2.gz IIBYSTFRSAAMAF-UHFFFAOYSA-N -1 3 393.495 3.657 20 0 GHADHM CC(C)(C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCCC1 ZINC001573788211 949194529 /nfs/dbraw/zinc/19/45/29/949194529.db2.gz IIBYSTFRSAAMAF-UHFFFAOYSA-N -1 3 393.495 3.657 20 0 GHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575516196 949203793 /nfs/dbraw/zinc/20/37/93/949203793.db2.gz NMHKIGVDTMLYHS-ACJLOTCBSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575516196 949203810 /nfs/dbraw/zinc/20/38/10/949203810.db2.gz NMHKIGVDTMLYHS-ACJLOTCBSA-N -1 3 380.427 3.806 20 0 GHADHM CC(C)(C(=O)O[C@H]1CCc2cc(F)ccc21)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788789 949213204 /nfs/dbraw/zinc/21/32/04/949213204.db2.gz XWAJEVDOXWAHJU-KRWDZBQOSA-N -1 3 384.386 3.653 20 0 GHADHM CC(C)(C(=O)O[C@H]1CCc2cc(F)ccc21)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788789 949213225 /nfs/dbraw/zinc/21/32/25/949213225.db2.gz XWAJEVDOXWAHJU-KRWDZBQOSA-N -1 3 384.386 3.653 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001575517922 949246546 /nfs/dbraw/zinc/24/65/46/949246546.db2.gz ZXGYXMPZJZPNLT-MRXNPFEDSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001575517922 949246571 /nfs/dbraw/zinc/24/65/71/949246571.db2.gz ZXGYXMPZJZPNLT-MRXNPFEDSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001575521004 949252669 /nfs/dbraw/zinc/25/26/69/949252669.db2.gz CDPHIUGPVRPTKK-JTQLQIEISA-N -1 3 397.439 3.840 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001575521004 949252693 /nfs/dbraw/zinc/25/26/93/949252693.db2.gz CDPHIUGPVRPTKK-JTQLQIEISA-N -1 3 397.439 3.840 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC001589606482 949286308 /nfs/dbraw/zinc/28/63/08/949286308.db2.gz RBBQZOXIQHWTME-FQEVSTJZSA-N -1 3 395.500 3.511 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CC1 ZINC001575861233 949319752 /nfs/dbraw/zinc/31/97/52/949319752.db2.gz QOXABDTWGNLSBW-NSHDSACASA-N -1 3 381.358 3.840 20 0 GHADHM CC1=C(C)C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001575861233 949319772 /nfs/dbraw/zinc/31/97/72/949319772.db2.gz QOXABDTWGNLSBW-NSHDSACASA-N -1 3 381.358 3.840 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589612533 949334840 /nfs/dbraw/zinc/33/48/40/949334840.db2.gz RQWILZRVGHLKKY-RYQLBKOJSA-N -1 3 378.513 3.606 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575264614 949431101 /nfs/dbraw/zinc/43/11/01/949431101.db2.gz PMIIUDNNEIEKMK-CWFSZBLJSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575264614 949431113 /nfs/dbraw/zinc/43/11/13/949431113.db2.gz PMIIUDNNEIEKMK-CWFSZBLJSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576167107 949598313 /nfs/dbraw/zinc/59/83/13/949598313.db2.gz OUUAKXHCJWEOKD-PBHICJAKSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576167107 949598328 /nfs/dbraw/zinc/59/83/28/949598328.db2.gz OUUAKXHCJWEOKD-PBHICJAKSA-N -1 3 377.448 3.968 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001574143048 949890358 /nfs/dbraw/zinc/89/03/58/949890358.db2.gz FLZJHKHPMBVSKB-OLZOCXBDSA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)C[C@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001574143048 949890370 /nfs/dbraw/zinc/89/03/70/949890370.db2.gz FLZJHKHPMBVSKB-OLZOCXBDSA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573826720 949910140 /nfs/dbraw/zinc/91/01/40/949910140.db2.gz IQUIMVPSJPWRGU-KDOFPFPSSA-N -1 3 398.511 3.707 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573826720 949910155 /nfs/dbraw/zinc/91/01/55/949910155.db2.gz IQUIMVPSJPWRGU-KDOFPFPSSA-N -1 3 398.511 3.707 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@H](NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001573828239 949928561 /nfs/dbraw/zinc/92/85/61/949928561.db2.gz PNSDIJNTLMCCSL-ROUUACIJSA-N -1 3 382.512 3.887 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@H](NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001573828239 949928571 /nfs/dbraw/zinc/92/85/71/949928571.db2.gz PNSDIJNTLMCCSL-ROUUACIJSA-N -1 3 382.512 3.887 20 0 GHADHM CC(C)(C)[C@H]1CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001573828778 949941362 /nfs/dbraw/zinc/94/13/62/949941362.db2.gz ULMVIQNBMGLGJG-HNNXBMFYSA-N -1 3 379.468 3.712 20 0 GHADHM CC(C)(C)[C@H]1CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001573828778 949941384 /nfs/dbraw/zinc/94/13/84/949941384.db2.gz ULMVIQNBMGLGJG-HNNXBMFYSA-N -1 3 379.468 3.712 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCOCc2ccc(Cl)cc2)n1 ZINC001573881943 950760796 /nfs/dbraw/zinc/76/07/96/950760796.db2.gz KTRZKGIVMVOXNH-UHFFFAOYSA-N -1 3 386.887 3.841 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCOCc2ccc(Cl)cc2)n1 ZINC001573881943 950760807 /nfs/dbraw/zinc/76/08/07/950760807.db2.gz KTRZKGIVMVOXNH-UHFFFAOYSA-N -1 3 386.887 3.841 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574183961 950770628 /nfs/dbraw/zinc/77/06/28/950770628.db2.gz CIZSIVVLZLUVDU-MJGOQNOKSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)CC[C@H]1CCCN1C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574183961 950770639 /nfs/dbraw/zinc/77/06/39/950770639.db2.gz CIZSIVVLZLUVDU-MJGOQNOKSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC001573882136 950774820 /nfs/dbraw/zinc/77/48/20/950774820.db2.gz UFMWKPDDOSAECW-UHFFFAOYSA-N -1 3 387.846 3.887 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC001573882136 950774832 /nfs/dbraw/zinc/77/48/32/950774832.db2.gz UFMWKPDDOSAECW-UHFFFAOYSA-N -1 3 387.846 3.887 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC001575631497 950775533 /nfs/dbraw/zinc/77/55/33/950775533.db2.gz MPUWHMAIGAGQJU-HNNXBMFYSA-N -1 3 394.479 3.707 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC001575631497 950775548 /nfs/dbraw/zinc/77/55/48/950775548.db2.gz MPUWHMAIGAGQJU-HNNXBMFYSA-N -1 3 394.479 3.707 20 0 GHADHM O=C([O-])CN1CCCC[C@@H](NCc2ccc(-c3ccc(Cl)cc3)s2)C1=O ZINC001595096819 951823400 /nfs/dbraw/zinc/82/34/00/951823400.db2.gz SNTCLIYMEUGSMI-MRXNPFEDSA-N -1 3 392.908 3.624 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC001575187576 952442154 /nfs/dbraw/zinc/44/21/54/952442154.db2.gz DILVRPNWJZQLEA-AWEZNQCLSA-N -1 3 397.910 3.836 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC001575187576 952442157 /nfs/dbraw/zinc/44/21/57/952442157.db2.gz DILVRPNWJZQLEA-AWEZNQCLSA-N -1 3 397.910 3.836 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000566219656 953621620 /nfs/dbraw/zinc/62/16/20/953621620.db2.gz GSTQBTPRHVUJBS-MRRJBJDNSA-N -1 3 399.318 3.700 20 0 GHADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1I ZINC001594304357 957950648 /nfs/dbraw/zinc/95/06/48/957950648.db2.gz ZQSOXTKYQMXJRN-UHFFFAOYSA-N -1 3 381.213 3.588 20 0 GHADHM Cc1cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c(C)cc1I ZINC001574326213 960854231 /nfs/dbraw/zinc/85/42/31/960854231.db2.gz KQAJMJXIZVIIMR-BMIGLBTASA-N -1 3 387.261 3.593 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCN(Cc2ccccc2)C1 ZINC001347510881 962389775 /nfs/dbraw/zinc/38/97/75/962389775.db2.gz UEVZTYGONAVBEA-VMIIQTFKSA-N -1 3 398.547 3.829 20 0 GHADHM C[C@@H]1[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000312648052 963580727 /nfs/dbraw/zinc/58/07/27/963580727.db2.gz KLWRJUNQBUBGRG-FZKQIMNGSA-N -1 3 387.867 3.823 20 0 GHADHM C[C@H](NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314833029 963818196 /nfs/dbraw/zinc/81/81/96/963818196.db2.gz UANRFVOPAKGCSS-QWHCGFSZSA-N -1 3 383.514 3.529 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000397979081 973047112 /nfs/dbraw/zinc/04/71/12/973047112.db2.gz LNUXEXCVCSBNEV-CZUORRHYSA-N -1 3 387.867 3.823 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNc2nc(Cl)c(C(=O)[O-])s2)N(C)C)cc1 ZINC001591776826 975927250 /nfs/dbraw/zinc/92/72/50/975927250.db2.gz NAVFWIJWKXMKIZ-CYBMUJFWSA-N -1 3 383.901 3.997 20 0 GHADHM CCOCCOC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001625941023 1014506809 /nfs/dbraw/zinc/50/68/09/1014506809.db2.gz OGUYPWHXBGFVEZ-UHFFFAOYSA-N -1 3 383.488 3.641 20 0 GHADHM CC[C@@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595243099 980172034 /nfs/dbraw/zinc/17/20/34/980172034.db2.gz VTHKCYYVBFRTMI-DOTOQJQBSA-N -1 3 380.916 3.730 20 0 GHADHM CC[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(Cl)c1 ZINC001595284282 980355230 /nfs/dbraw/zinc/35/52/30/980355230.db2.gz RPXFIIBCDPXLQO-LSDHHAIUSA-N -1 3 378.881 3.946 20 0 GHADHM CC[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595300461 980434868 /nfs/dbraw/zinc/43/48/68/980434868.db2.gz QNNIYNZFCJMLAU-RTWAWAEBSA-N -1 3 396.487 3.535 20 0 GHADHM CC[C@](C)(C(=O)[O-])N(Cc1nc(Cl)ccc1Br)CC1CC1 ZINC001594791553 981852748 /nfs/dbraw/zinc/85/27/48/981852748.db2.gz MLUSWBXPYFDTFR-OAHLLOKOSA-N -1 3 375.694 3.963 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCCc2c(F)cccc2F)s1 ZINC001626068251 1014849236 /nfs/dbraw/zinc/84/92/36/1014849236.db2.gz KKDICHJFOZYYEX-UHFFFAOYSA-N -1 3 383.420 3.741 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccco1 ZINC001594993750 982865805 /nfs/dbraw/zinc/86/58/05/982865805.db2.gz BAZPPFUEODDYDB-GWCFXTLKSA-N -1 3 381.379 3.507 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccsc1 ZINC001596254245 983661743 /nfs/dbraw/zinc/66/17/43/983661743.db2.gz GGABJXHAZDQFKN-INIZCTEOSA-N -1 3 379.457 3.790 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Nc3ccc(C(=O)[O-])cc3C)c(C)c2)CC1 ZINC001596442577 984138345 /nfs/dbraw/zinc/13/83/45/984138345.db2.gz YBFXICDEXXDPLP-UHFFFAOYSA-N -1 3 396.491 3.788 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599891485 984699164 /nfs/dbraw/zinc/69/91/64/984699164.db2.gz QZDUWGPGUCJOLJ-MRXNPFEDSA-N -1 3 383.492 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 ZINC001599894669 984738050 /nfs/dbraw/zinc/73/80/50/984738050.db2.gz UDLKADMCJQWWCS-KRWDZBQOSA-N -1 3 395.503 3.605 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000467996332 1015117887 /nfs/dbraw/zinc/11/78/87/1015117887.db2.gz VCBVKGRDXKVKES-VXGBXAGGSA-N -1 3 379.334 3.728 20 0 GHADHM CCO[C@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1(CC)CC ZINC001596832899 985466016 /nfs/dbraw/zinc/46/60/16/985466016.db2.gz JPTKGNKIZDBHFX-KBPBESRZSA-N -1 3 382.526 3.575 20 0 GHADHM Cc1[nH]c(CN(C[C@H](O)COc2cccc3ccccc32)C(C)C)cc1C(=O)[O-] ZINC001599963184 985833997 /nfs/dbraw/zinc/83/39/97/985833997.db2.gz YOZHAYGWHNDPRB-IBGZPJMESA-N -1 3 396.487 3.825 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001594546049 986214825 /nfs/dbraw/zinc/21/48/25/986214825.db2.gz YERQJMHTCAWRCM-ZWKOTPCHSA-N -1 3 395.503 3.861 20 0 GHADHM CCOc1c(OC)cc(CN[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1OC ZINC001596991669 986271256 /nfs/dbraw/zinc/27/12/56/986271256.db2.gz QVOVWUFQHYPOKW-GOSISDBHSA-N -1 3 385.460 3.968 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001589469410 986941670 /nfs/dbraw/zinc/94/16/70/986941670.db2.gz LGMOMJGUNYGIHJ-DIFFPNOSSA-N -1 3 381.259 3.984 20 0 GHADHM CCC1(CC)CN(C(=O)NCc2ccc([O-])c(Br)c2)CCS1 ZINC000468137378 1015319232 /nfs/dbraw/zinc/31/92/32/1015319232.db2.gz WNZFTABNTRGNKU-UHFFFAOYSA-N -1 3 387.343 3.972 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)N(C)C)cc1 ZINC001597513483 988112064 /nfs/dbraw/zinc/11/20/64/988112064.db2.gz VOVPUYBYUGBMDF-FQEVSTJZSA-N -1 3 383.492 3.988 20 0 GHADHM CCc1cccc(F)c1CN1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001597592618 988420180 /nfs/dbraw/zinc/42/01/80/988420180.db2.gz IVWZAIZDTRYMOX-WIVVBHTDSA-N -1 3 391.483 3.643 20 0 GHADHM CSc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc1C(=O)[O-] ZINC001599818317 988466313 /nfs/dbraw/zinc/46/63/13/988466313.db2.gz QPUBCGDZKMMMSX-QGZVFWFLSA-N -1 3 399.516 3.811 20 0 GHADHM CSc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599821573 988522697 /nfs/dbraw/zinc/52/26/97/988522697.db2.gz DHNLVCXGBXVGGP-KBPBESRZSA-N -1 3 388.489 3.550 20 0 GHADHM CSc1ccccc1OC[C@H](O)CN(Cc1csc(C(=O)[O-])c1)C(C)C ZINC001599825359 988589443 /nfs/dbraw/zinc/58/94/43/988589443.db2.gz VEWGSBXDPNBZJW-OAHLLOKOSA-N -1 3 395.546 3.819 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]1CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001589992468 988903226 /nfs/dbraw/zinc/90/32/26/988903226.db2.gz UQPFAAKVMPZEEI-INIZCTEOSA-N -1 3 386.448 3.744 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccsc1C(=O)[O-])C2 ZINC001590002515 988919271 /nfs/dbraw/zinc/91/92/71/988919271.db2.gz ADVMFJVNICANRY-LJQANCHMSA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1csc(C(=O)[O-])c1 ZINC001590138554 989393960 /nfs/dbraw/zinc/39/39/60/989393960.db2.gz GIRFWZOCPAQMOQ-GOOCMWNKSA-N -1 3 380.510 3.857 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001599878137 989446632 /nfs/dbraw/zinc/44/66/32/989446632.db2.gz JXQDFERBKHFKAW-YVWKXTFCSA-N -1 3 386.536 3.833 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2oc(Br)cc2C(=O)[O-])C12CCC2 ZINC001590379378 989888307 /nfs/dbraw/zinc/88/83/07/989888307.db2.gz QCKLAGJYFLRPDK-QWHCGFSZSA-N -1 3 386.286 3.956 20 0 GHADHM CN(C(=O)[C@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1)c1ccccc1 ZINC001598004968 990154705 /nfs/dbraw/zinc/15/47/05/990154705.db2.gz ZRYXPVKDVTYIRQ-UGSOOPFHSA-N -1 3 390.842 3.590 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598228876 990923042 /nfs/dbraw/zinc/92/30/42/990923042.db2.gz CQESRQMBJVJOFI-ZWKOTPCHSA-N -1 3 387.505 3.532 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001598229787 990930609 /nfs/dbraw/zinc/93/06/09/990930609.db2.gz WKONEQJZMXIEHD-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM COc1ccccc1[C@@H](CNCc1ccc(C(=O)[O-])cc1F)N1CCCCC1 ZINC001599698979 991191018 /nfs/dbraw/zinc/19/10/18/991191018.db2.gz VHNHDAVWOVYGNG-HXUWFJFHSA-N -1 3 386.467 3.849 20 0 GHADHM COc1ncc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c2ccccc21 ZINC001599733833 991744957 /nfs/dbraw/zinc/74/49/57/991744957.db2.gz CGRGGOHILGTZAR-UHFFFAOYSA-N -1 3 386.398 3.999 20 0 GHADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1Cc1cc(C(=O)[O-])no1 ZINC001591211099 992052679 /nfs/dbraw/zinc/05/26/79/992052679.db2.gz PXYFJQUFPHMUSH-IBGZPJMESA-N -1 3 385.508 3.538 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)N(C)C)cc1 ZINC001591484680 992611966 /nfs/dbraw/zinc/61/19/66/992611966.db2.gz RIHPWJAWLYHCMX-RDELFYGPSA-N -1 3 384.476 3.609 20 0 GHADHM CN(Cn1ncc2cc(C(=O)[O-])ccc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001598541830 992911245 /nfs/dbraw/zinc/91/12/45/992911245.db2.gz SDAACKBBRFZABH-ICSRJNTNSA-N -1 3 383.423 3.683 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001593131792 993885379 /nfs/dbraw/zinc/88/53/79/993885379.db2.gz RXRPHSONXMTKMV-GXTWGEPZSA-N -1 3 382.888 3.773 20 0 GHADHM C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc(C(=O)[O-])cs1 ZINC001593208754 994229104 /nfs/dbraw/zinc/22/91/04/994229104.db2.gz FTOBRIVTSGNDKQ-QPWKKTDDSA-N -1 3 396.871 3.861 20 0 GHADHM C[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1OCC(=O)[O-] ZINC001593245694 994439665 /nfs/dbraw/zinc/43/96/65/994439665.db2.gz APBZEWMASWYTJD-MLGOLLRUSA-N -1 3 383.366 3.553 20 0 GHADHM C[C@@H](NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ncc(C(=O)[O-])s1 ZINC001593245711 994439715 /nfs/dbraw/zinc/43/97/15/994439715.db2.gz AWUYKWMNMSRVGT-ZWNOBZJWSA-N -1 3 387.427 3.814 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2csc(Br)c2)c1 ZINC001599655338 994569972 /nfs/dbraw/zinc/56/99/72/994569972.db2.gz JUOHCHUXGIBYDW-MRXNPFEDSA-N -1 3 384.295 3.999 20 0 GHADHM C[C@@](NCc1ccc(OCc2ccncc2)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298538 994716009 /nfs/dbraw/zinc/71/60/09/994716009.db2.gz KTEUDSFOYHBTNA-QFIPXVFZSA-N -1 3 380.419 3.889 20 0 GHADHM COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(Br)c1[O-] ZINC000545498918 1015949470 /nfs/dbraw/zinc/94/94/70/1015949470.db2.gz FZGQTVYODDBTAZ-KRWDZBQOSA-N -1 3 389.249 3.892 20 0 GHADHM C[C@@H](Oc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1)C(=O)[O-] ZINC001593614715 995826037 /nfs/dbraw/zinc/82/60/37/995826037.db2.gz DBQQMIJALYYISO-DYESRHJHSA-N -1 3 395.455 3.867 20 0 GHADHM Cc1ccccc1[C@@H](CO)N(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000923710855 1016012968 /nfs/dbraw/zinc/01/29/68/1016012968.db2.gz HQUAVSDPUKJPLD-CQSZACIVSA-N -1 3 391.493 3.604 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccnn1C1CCCC1 ZINC001138176328 1016038319 /nfs/dbraw/zinc/03/83/19/1016038319.db2.gz BFKZRVFLNPJJKJ-UHFFFAOYSA-N -1 3 397.216 3.561 20 0 GHADHM COC(=O)CC1(NCc2cc(C(=O)[O-])ccc2Br)CCCCC1 ZINC001598844170 996550714 /nfs/dbraw/zinc/55/07/14/996550714.db2.gz ZZLJDNHNXDPKMV-UHFFFAOYSA-N -1 3 384.270 3.503 20 0 GHADHM COC[C@@H]1CCCCN1Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001599203299 997355536 /nfs/dbraw/zinc/35/55/36/997355536.db2.gz PDVGYAPLMPQDQX-INIZCTEOSA-N -1 3 389.448 3.566 20 0 GHADHM COc1ccc(C(NC[C@@H]2CC(C(=O)[O-])=C(C)O2)c2ccc(OC)cc2)cc1 ZINC001599528635 997608336 /nfs/dbraw/zinc/60/83/36/997608336.db2.gz BBDZIVLAIYTBKQ-IBGZPJMESA-N -1 3 383.444 3.530 20 0 GHADHM C[C@]1(c2ccccc2)CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC001594079439 997966782 /nfs/dbraw/zinc/96/67/82/997966782.db2.gz FFARCMJEZGVHGI-AVRDEDQJSA-N -1 3 398.528 3.995 20 0 GHADHM COc1cc(Br)c(CNC[C@@H](CC2CCCC2)C(=O)[O-])cc1O ZINC001599347838 998040053 /nfs/dbraw/zinc/04/00/53/998040053.db2.gz LBZVCKXXGLCOBJ-CYBMUJFWSA-N -1 3 386.286 3.534 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(c3nc(-c4ccncc4)cs3)CC2)O1 ZINC001594103123 998125699 /nfs/dbraw/zinc/12/56/99/998125699.db2.gz MRDRWDPWDSIJER-MRXNPFEDSA-N -1 3 385.489 3.532 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1cccc2ncc(-c3ccccc3)nc21 ZINC001154493867 1032142628 /nfs/dbraw/zinc/14/26/28/1032142628.db2.gz NVJMEVYXJLBZAK-UHFFFAOYSA-N -1 3 388.383 3.632 20 0 GHADHM COc1ccc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1OC1CC1 ZINC001599562251 998222375 /nfs/dbraw/zinc/22/23/75/998222375.db2.gz XPGYQOGUENUZQV-CQSZACIVSA-N -1 3 388.489 3.771 20 0 GHADHM COC(=O)c1cc2cc(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)ccc2o1 ZINC001598957877 998277986 /nfs/dbraw/zinc/27/79/86/998277986.db2.gz PERTWTAQYKSQOF-QGZVFWFLSA-N -1 3 391.782 3.927 20 0 GHADHM COC(=O)c1ccc2[nH]cc(C3CCN(Cc4cc(C(=O)[O-])c(C)o4)CC3)c2c1 ZINC001598989696 998725269 /nfs/dbraw/zinc/72/52/69/998725269.db2.gz ILZKDAWXYCBRJJ-UHFFFAOYSA-N -1 3 396.443 3.934 20 0 GHADHM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCC(c3cccc(F)c3F)CC2)c1 ZINC001598995929 998779344 /nfs/dbraw/zinc/77/93/44/998779344.db2.gz KFQRDBWFGKUVNM-LJQANCHMSA-N -1 3 389.398 3.757 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594292875 999129983 /nfs/dbraw/zinc/12/99/83/999129983.db2.gz OCJXCAGNYAQFII-NFAWXSAZSA-N -1 3 376.522 3.917 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2csc(C(=O)[O-])c2)[C@H]1C ZINC001594307544 999188388 /nfs/dbraw/zinc/18/83/88/999188388.db2.gz BAGIZWIIDIHTLM-VNHYZAJKSA-N -1 3 382.526 3.960 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)ccc1F ZINC000469025232 1016349470 /nfs/dbraw/zinc/34/94/70/1016349470.db2.gz QVWYJSORWPGDAT-CQSZACIVSA-N -1 3 392.496 3.995 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000470489549 1016796410 /nfs/dbraw/zinc/79/64/10/1016796410.db2.gz IVEBAUXQEMPYTP-GHMZBOCLSA-N -1 3 378.416 3.842 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CCC2)n1 ZINC000470789328 1016888961 /nfs/dbraw/zinc/88/89/61/1016888961.db2.gz KHBGPWHPBXKGRS-UHFFFAOYSA-N -1 3 394.415 3.967 20 0 GHADHM COCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)c(Cl)c1 ZINC000557157157 1016970205 /nfs/dbraw/zinc/97/02/05/1016970205.db2.gz OOGKKLXREHXUEK-AWEZNQCLSA-N -1 3 397.237 3.911 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000557860578 1017061615 /nfs/dbraw/zinc/06/16/15/1017061615.db2.gz DTQKGMSTWIURFE-JTQLQIEISA-N -1 3 394.707 3.701 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cn(CCCCCF)c2ccccc12 ZINC001154561583 1032182383 /nfs/dbraw/zinc/18/23/83/1032182383.db2.gz ZUHSLYIMVDXUGJ-UHFFFAOYSA-N -1 3 386.427 3.933 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cn(CCCCCF)c2ccccc12 ZINC001154561583 1032182393 /nfs/dbraw/zinc/18/23/93/1032182393.db2.gz ZUHSLYIMVDXUGJ-UHFFFAOYSA-N -1 3 386.427 3.933 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(CC)cc1[O-] ZINC001154803091 1032291139 /nfs/dbraw/zinc/29/11/39/1032291139.db2.gz ZRPREIKEEDCHAP-KRWDZBQOSA-N -1 3 375.852 3.512 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001154809172 1032292151 /nfs/dbraw/zinc/29/21/51/1032292151.db2.gz RMPRJGSAYDCSGF-MRXNPFEDSA-N -1 3 398.203 3.647 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1n[nH]c2ccc(OCc3ccccc3)cc21 ZINC001154852169 1032309887 /nfs/dbraw/zinc/30/98/87/1032309887.db2.gz TUINUXGGZYTGLE-UHFFFAOYSA-N -1 3 399.410 3.976 20 0 GHADHM CCOc1cc(C(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1[O-] ZINC001155001494 1032374958 /nfs/dbraw/zinc/37/49/58/1032374958.db2.gz ZJWPUQFHBPRKHK-SNVBAGLBSA-N -1 3 389.839 3.820 20 0 GHADHM S=c1nc2nc[n-]c2c(OC2CC(c3ccc(Br)cc3)C2)[nH]1 ZINC001227615494 1032487290 /nfs/dbraw/zinc/48/72/90/1032487290.db2.gz BMQKSQMMDCIZNF-UHFFFAOYSA-N -1 3 377.267 3.729 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1 ZINC000559840275 1017506071 /nfs/dbraw/zinc/50/60/71/1017506071.db2.gz CSIHMYCBFASKHJ-QFIPXVFZSA-N -1 3 392.329 3.981 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc3c(s2)CCOC3)c([O-])c1 ZINC001155833307 1032732903 /nfs/dbraw/zinc/73/29/03/1032732903.db2.gz PZUHSXQEZXFRBH-UHFFFAOYSA-N -1 3 375.446 3.734 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000931620822 1018013583 /nfs/dbraw/zinc/01/35/83/1018013583.db2.gz QFMHOLLBQODBQY-HOTGVXAUSA-N -1 3 387.505 3.976 20 0 GHADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)ccc1Cl ZINC000562707311 1018557081 /nfs/dbraw/zinc/55/70/81/1018557081.db2.gz WWXCKRSGJCJHMD-UHFFFAOYSA-N -1 3 392.908 3.721 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cccc(Br)c1Cl ZINC000562842716 1018700190 /nfs/dbraw/zinc/70/01/90/1018700190.db2.gz UTYXCCGDMLHOPP-UHFFFAOYSA-N -1 3 388.661 3.959 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)o1 ZINC000933658169 1018881479 /nfs/dbraw/zinc/88/14/79/1018881479.db2.gz YBPHKTFEIZRLMU-JOCHJYFZSA-N -1 3 375.428 3.883 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C[C@](C)(O)c3ccccc3)nc(=O)c2c1C ZINC000778335998 1019000549 /nfs/dbraw/zinc/00/05/49/1019000549.db2.gz IWVJXTZPYKPJCT-ODXCJYRJSA-N -1 3 386.473 3.916 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228152445 1032810693 /nfs/dbraw/zinc/81/06/93/1032810693.db2.gz OMRKEEVVKPSFCU-OAQYLSRUSA-N -1 3 394.398 3.925 20 0 GHADHM CCCOc1ccc(Br)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000565100901 1019154659 /nfs/dbraw/zinc/15/46/59/1019154659.db2.gz JNGTWIAIXPINBO-OAHLLOKOSA-N -1 3 382.298 3.925 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c1[O-] ZINC000570024045 1019551768 /nfs/dbraw/zinc/55/17/68/1019551768.db2.gz LYDLAKDWCQZIJA-UHFFFAOYSA-N -1 3 380.419 3.864 20 0 GHADHM COc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c([O-])c1 ZINC000570491802 1019620166 /nfs/dbraw/zinc/62/01/66/1019620166.db2.gz UMUUIPGCGXDJCO-QGZVFWFLSA-N -1 3 397.349 3.513 20 0 GHADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000578634079 1020349977 /nfs/dbraw/zinc/34/99/77/1020349977.db2.gz KGYDAXQZMSOPMU-AWEZNQCLSA-N -1 3 377.890 3.579 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCCC34CCCCC4)c(=O)c2c(OC)c1 ZINC000628039979 1020653039 /nfs/dbraw/zinc/65/30/39/1020653039.db2.gz LXOZYMJGFGLLPI-GOSISDBHSA-N -1 3 384.476 3.778 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(Cc2nccs2)CC1 ZINC000633951450 1020940720 /nfs/dbraw/zinc/94/07/20/1020940720.db2.gz FVUNTLUDUFSTEW-UHFFFAOYSA-N -1 3 381.295 3.706 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C4CC4)C3)c2)cc1 ZINC000643286692 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378.881 3.718 20 0 GHADHM Cc1ccc(Br)cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903924358 1021655291 /nfs/dbraw/zinc/65/52/91/1021655291.db2.gz LKXYQBBIPIGVAV-NSHDSACASA-N -1 3 381.295 3.902 20 0 GHADHM C[C@@H](COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000748253989 1021678224 /nfs/dbraw/zinc/67/82/24/1021678224.db2.gz ZLIBNCHWEFLEJE-SUMWQHHRSA-N -1 3 395.377 3.995 20 0 GHADHM Cc1cc(Br)c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000835050390 1021814963 /nfs/dbraw/zinc/81/49/63/1021814963.db2.gz AGFSTTXTJMFAMT-UHFFFAOYSA-N -1 3 399.276 3.710 20 0 GHADHM Cc1[nH]c(CN2CC[C@@H](Oc3cccc(Br)c3)C2)c(C)c1C(=O)[O-] ZINC001140497498 1021870671 /nfs/dbraw/zinc/87/06/71/1021870671.db2.gz BPPXUPUUZQBCMK-OAHLLOKOSA-N -1 3 393.281 3.746 20 0 GHADHM Cc1[nH]c(CN2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(C)c1C(=O)[O-] ZINC001140501078 1021876635 /nfs/dbraw/zinc/87/66/35/1021876635.db2.gz MNTABBUQPDHGHE-OAQYLSRUSA-N -1 3 391.512 3.695 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000678822500 1021928759 /nfs/dbraw/zinc/92/87/59/1021928759.db2.gz GRZLAGVEBBFVFT-UHFFFAOYSA-N -1 3 379.441 3.835 20 0 GHADHM [O-]c1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1Br ZINC001140547901 1021948893 /nfs/dbraw/zinc/94/88/93/1021948893.db2.gz UHTIVMWGRYIYLN-VMPITWQZSA-N -1 3 387.321 3.986 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1cccc([O-])c1Br ZINC001140550352 1021951736 /nfs/dbraw/zinc/95/17/36/1021951736.db2.gz RKCCQGPIGNGOTI-KGLIPLIRSA-N -1 3 397.313 3.738 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000681754284 1022323828 /nfs/dbraw/zinc/32/38/28/1022323828.db2.gz YKEHTUBQNDSXSE-VWLOTQADSA-N -1 3 398.462 3.719 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2n[n-]c(-c3ccncc3)n2)C(F)(F)F)c1 ZINC001228700139 1033054534 /nfs/dbraw/zinc/05/45/34/1033054534.db2.gz OGZJSHYSVZNCBA-AWEZNQCLSA-N -1 3 392.337 3.726 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000754044463 1022441792 /nfs/dbraw/zinc/44/17/92/1022441792.db2.gz ARDMIHGSSQZTBG-UHFFFAOYSA-N -1 3 398.415 3.671 20 0 GHADHM CC[C@](C)(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)OC ZINC000835956373 1022500382 /nfs/dbraw/zinc/50/03/82/1022500382.db2.gz CUKRHJFSSCRRSI-LJQANCHMSA-N -1 3 395.452 3.598 20 0 GHADHM COc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1[O-] ZINC000754267077 1022569059 /nfs/dbraw/zinc/56/90/59/1022569059.db2.gz ISWUUZSAOAVPLS-UHFFFAOYSA-N -1 3 385.199 3.756 20 0 GHADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc2c1O[C@H](C)C2 ZINC000754439499 1022708644 /nfs/dbraw/zinc/70/86/44/1022708644.db2.gz CCZJIEIWFSLWGS-SECBINFHSA-N -1 3 378.222 3.739 20 0 GHADHM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1nnc2ccccc2c1[O-] ZINC000754479592 1022729238 /nfs/dbraw/zinc/72/92/38/1022729238.db2.gz KPUPUSSLYHGZQH-LBPRGKRZSA-N -1 3 390.226 3.896 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000836253654 1022776715 /nfs/dbraw/zinc/77/67/15/1022776715.db2.gz ZQTXZQBUTQVRDN-UHFFFAOYSA-N -1 3 383.404 3.890 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000836253654 1022776725 /nfs/dbraw/zinc/77/67/25/1022776725.db2.gz ZQTXZQBUTQVRDN-UHFFFAOYSA-N -1 3 383.404 3.890 20 0 GHADHM CN1C[C@@H](c2ccccc2)C2(CCN(Cc3ccc([O-])c(F)c3F)CC2)C1=O ZINC001140890968 1022810272 /nfs/dbraw/zinc/81/02/72/1022810272.db2.gz PXFNTJOWHMETOZ-KRWDZBQOSA-N -1 3 386.442 3.508 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nc(C)c(Cc2ccc(F)cc2)s1 ZINC000836619118 1023175801 /nfs/dbraw/zinc/17/58/01/1023175801.db2.gz CCGAIHIHHJVXMQ-UHFFFAOYSA-N -1 3 395.456 3.576 20 0 GHADHM COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1ccc([O-])c(F)c1 ZINC000755906283 1023429323 /nfs/dbraw/zinc/42/93/23/1023429323.db2.gz WFIMYCBTFXLSAS-SFHVURJKSA-N -1 3 388.370 3.697 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc3c(cc2[O-])CCC3=O)[C@@H](F)C1 ZINC001228858445 1033142052 /nfs/dbraw/zinc/14/20/52/1033142052.db2.gz QVWVUSUUADRYKG-YOEHRIQHSA-N -1 3 379.428 3.638 20 0 GHADHM COc1cc(C)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1OC ZINC000756292530 1023581717 /nfs/dbraw/zinc/58/17/17/1023581717.db2.gz CTUFSUWLHRHTMX-UHFFFAOYSA-N -1 3 380.400 3.702 20 0 GHADHM Cc1csc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000756369467 1023613364 /nfs/dbraw/zinc/61/33/64/1023613364.db2.gz DBCOVYOKQPDTFM-GOSISDBHSA-N -1 3 396.468 3.762 20 0 GHADHM O=C([O-])C[C@H](NC/C=C\c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000756378641 1023618833 /nfs/dbraw/zinc/61/88/33/1023618833.db2.gz HGACZKQMVRFERK-FBQMEGEOSA-N -1 3 383.398 3.969 20 0 GHADHM COc1ccccc1/C=C/CN[C@@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000756378284 1023619765 /nfs/dbraw/zinc/61/97/65/1023619765.db2.gz CYKVMANTUWXBLR-JCOOBLOPSA-N -1 3 377.444 3.700 20 0 GHADHM O=C([O-])C[C@@H](NCc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000756385092 1023622853 /nfs/dbraw/zinc/62/28/53/1023622853.db2.gz FGQXZUHBGVPVHD-CQSZACIVSA-N -1 3 381.295 3.916 20 0 GHADHM O=C([O-])[C@H](CSCc1cccc2cccnc21)NCc1cccnc1Cl ZINC000756384592 1023622966 /nfs/dbraw/zinc/62/29/66/1023622966.db2.gz QGRNIJVELIJCMJ-INIZCTEOSA-N -1 3 387.892 3.759 20 0 GHADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000756530940 1023700756 /nfs/dbraw/zinc/70/07/56/1023700756.db2.gz VDWUQVOGYJFWJR-STQMWFEESA-N -1 3 389.830 3.589 20 0 GHADHM O=C(NC1CCC(O)(c2ccccc2)CC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001138063316 1023971635 /nfs/dbraw/zinc/97/16/35/1023971635.db2.gz QYWKXLAEVYPDES-UHFFFAOYSA-N -1 3 396.874 3.742 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000837123010 1024082376 /nfs/dbraw/zinc/08/23/76/1024082376.db2.gz KXVYUCOJDYLMGD-CVEARBPZSA-N -1 3 394.487 3.664 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001228958155 1033199694 /nfs/dbraw/zinc/19/96/94/1033199694.db2.gz IZUOPIXYVTZELH-OAHLLOKOSA-N -1 3 393.480 3.733 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2F)o1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837410073 1024434422 /nfs/dbraw/zinc/43/44/22/1024434422.db2.gz NOMSCUHUEXLEDJ-UHFFFAOYSA-N -1 3 383.379 3.530 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cs2)cc1 ZINC000837417869 1024442020 /nfs/dbraw/zinc/44/20/20/1024442020.db2.gz CBZRSOHOGFMNHF-UHFFFAOYSA-N -1 3 397.456 3.939 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001138296252 1024575213 /nfs/dbraw/zinc/57/52/13/1024575213.db2.gz WEOUBEPWYAISNF-DGCLKSJQSA-N -1 3 377.282 3.989 20 0 GHADHM CC(C)Cn1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C(F)F)n1 ZINC000837899015 1024797177 /nfs/dbraw/zinc/79/71/77/1024797177.db2.gz YNDKEBLYLVTMKX-UHFFFAOYSA-N -1 3 392.362 3.589 20 0 GHADHM CC[C@H](NC(=O)COC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000838140228 1024942426 /nfs/dbraw/zinc/94/24/26/1024942426.db2.gz DOUCXYVUTCIRAC-INIZCTEOSA-N -1 3 379.815 3.538 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC001141437778 1025055700 /nfs/dbraw/zinc/05/57/00/1025055700.db2.gz WTOZTMVHOCKWLN-NSHDSACASA-N -1 3 391.265 3.610 20 0 GHADHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1cc(O)cc([O-])c1Br ZINC001229098104 1033278816 /nfs/dbraw/zinc/27/88/16/1033278816.db2.gz BNNTXULJZVVWAR-OAHLLOKOSA-N -1 3 395.249 3.804 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000838796785 1025373321 /nfs/dbraw/zinc/37/33/21/1025373321.db2.gz JZENJQOPEQVZCX-UHFFFAOYSA-N -1 3 399.329 3.986 20 0 GHADHM COCN1C(=O)CCc2cc(NCc3cccc([O-])c3Br)ccc21 ZINC000839029567 1025530505 /nfs/dbraw/zinc/53/05/05/1025530505.db2.gz HBFGSVXNVJXBPD-UHFFFAOYSA-N -1 3 391.265 3.650 20 0 GHADHM CC(C)(C)c1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nc(C(C)(C)C)n1 ZINC001162126234 1025618620 /nfs/dbraw/zinc/61/86/20/1025618620.db2.gz HSCYNIUSLYVHTG-UHFFFAOYSA-N -1 3 396.535 3.740 20 0 GHADHM Cc1csc(Oc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2F)n1 ZINC001139187126 1026024711 /nfs/dbraw/zinc/02/47/11/1026024711.db2.gz XQUULJDWFBYSKS-UHFFFAOYSA-N -1 3 388.424 3.677 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1ccc(C(C)C)cc1)OCC ZINC001202915560 1026114882 /nfs/dbraw/zinc/11/48/82/1026114882.db2.gz BVAFAPGOOLSRPQ-UHFFFAOYSA-N -1 3 388.468 3.891 20 0 GHADHM COc1ccc(Br)cc1CCNc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001163749298 1026302003 /nfs/dbraw/zinc/30/20/03/1026302003.db2.gz NNNVTTJERFDMBT-UHFFFAOYSA-N -1 3 388.269 3.601 20 0 GHADHM COc1ccc(Br)cc1CCNc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001163749298 1026302016 /nfs/dbraw/zinc/30/20/16/1026302016.db2.gz NNNVTTJERFDMBT-UHFFFAOYSA-N -1 3 388.269 3.601 20 0 GHADHM COC(=O)[C@@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]1c1ccccc1 ZINC001165207709 1026667151 /nfs/dbraw/zinc/66/71/51/1026667151.db2.gz PGMLXFSEVAIXOT-RISCZKNCSA-N -1 3 399.850 3.704 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(-c3ccco3)cc2F)c([O-])c1 ZINC001139926093 1026734435 /nfs/dbraw/zinc/73/44/35/1026734435.db2.gz DMKIFUVHGCJLEP-UHFFFAOYSA-N -1 3 396.418 3.536 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001165779708 1026835233 /nfs/dbraw/zinc/83/52/33/1026835233.db2.gz ORIXDNKWQSEKMQ-HNNXBMFYSA-N -1 3 398.459 3.924 20 0 GHADHM CCOC(=O)C(=Cc1cnn(C)c1Cl)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000834407668 1026976051 /nfs/dbraw/zinc/97/60/51/1026976051.db2.gz CKVBBYTVFUYTHV-IZZDOVSWSA-N -1 3 392.868 3.504 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)Cc1cccs1 ZINC001210328735 1027451618 /nfs/dbraw/zinc/45/16/18/1027451618.db2.gz QVCYNQUNTYLXPJ-JTQLQIEISA-N -1 3 397.415 3.943 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Oc2ccccc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001210482618 1027526409 /nfs/dbraw/zinc/52/64/09/1027526409.db2.gz LAUFADKWYVCUCY-SNVBAGLBSA-N -1 3 392.341 3.894 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC001210523844 1027542744 /nfs/dbraw/zinc/54/27/44/1027542744.db2.gz BHKFKFPUVPYECI-LBPRGKRZSA-N -1 3 375.824 3.754 20 0 GHADHM O=C1C(=Cc2cccc([O-])c2Br)NC(=S)N1C1CCCCC1 ZINC000840732746 1027773193 /nfs/dbraw/zinc/77/31/93/1027773193.db2.gz JIHRXJAVEXXHHE-FMIVXFBMSA-N -1 3 381.295 3.545 20 0 GHADHM O=S(=O)([N-]N=c1[nH]cc(C(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000840911180 1027946369 /nfs/dbraw/zinc/94/63/69/1027946369.db2.gz SEVGUXTVXJRNMD-WCQYABFASA-N -1 3 391.802 3.556 20 0 GHADHM COC(=O)c1cc(Br)c([O-])c(Nc2ccc3[nH]c(C)nc3c2)c1 ZINC001213074413 1027986746 /nfs/dbraw/zinc/98/67/46/1027986746.db2.gz TZDGECLDPVMXBG-UHFFFAOYSA-N -1 3 376.210 3.870 20 0 GHADHM COC(=O)c1cc(Br)c([O-])c(Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001213074413 1027986753 /nfs/dbraw/zinc/98/67/53/1027986753.db2.gz TZDGECLDPVMXBG-UHFFFAOYSA-N -1 3 376.210 3.870 20 0 GHADHM [O-]c1cc(Cl)c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c(Cl)c1 ZINC001142109519 1028129365 /nfs/dbraw/zinc/12/93/65/1028129365.db2.gz SRKWKXPRWFLLMT-CQSZACIVSA-N -1 3 396.318 3.954 20 0 GHADHM [O-]c1cc(Cl)c(CN2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(Cl)c1 ZINC001142111231 1028139623 /nfs/dbraw/zinc/13/96/23/1028139623.db2.gz DRLQVINPKOVJRA-YJYMSZOUSA-N -1 3 395.286 3.621 20 0 GHADHM CCOC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)n(-c2ccc(F)cc2)n1 ZINC001213374824 1028147329 /nfs/dbraw/zinc/14/73/29/1028147329.db2.gz AXBIOZFLLJKYBW-UHFFFAOYSA-N -1 3 377.322 3.916 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)nc1Cl ZINC001213492822 1028225446 /nfs/dbraw/zinc/22/54/46/1028225446.db2.gz IKXDUHRRHOJTAH-HUUCEWRRSA-N -1 3 381.929 3.714 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1cccc(OC(F)(F)F)c1 ZINC001213607117 1028292106 /nfs/dbraw/zinc/29/21/06/1028292106.db2.gz FHWZHTYLFGHCHZ-QMMMGPOBSA-N -1 3 398.765 3.812 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCc2cccc3cccc1c32 ZINC001213797912 1028381310 /nfs/dbraw/zinc/38/13/10/1028381310.db2.gz SWWCUDHLVKKTSO-GOSISDBHSA-N -1 3 399.443 3.731 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc2c(s1)CCCC2 ZINC001213909825 1028445637 /nfs/dbraw/zinc/44/56/37/1028445637.db2.gz IAFZMFKFZACMFN-UHFFFAOYSA-N -1 3 387.885 3.581 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)c1Cl ZINC001213929404 1028456662 /nfs/dbraw/zinc/45/66/62/1028456662.db2.gz WBOPYRIGLMMQPT-SWLSCSKDSA-N -1 3 378.321 3.785 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(C)c3Br)no2)[n-]1 ZINC001213974803 1028483634 /nfs/dbraw/zinc/48/36/34/1028483634.db2.gz BLSBKMBSDGZRCJ-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC(F)(F)C1)c1cc(Br)ccc1F ZINC001213988557 1028497547 /nfs/dbraw/zinc/49/75/47/1028497547.db2.gz GSPAVOKSEDJZOU-SECBINFHSA-N -1 3 386.233 3.692 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000841561042 1028730286 /nfs/dbraw/zinc/73/02/86/1028730286.db2.gz PSMKYOAYMIYRRK-OCCSQVGLSA-N -1 3 388.320 3.650 20 0 GHADHM Cc1ccc(C[C@H](CNCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])cc1 ZINC000841794324 1028940996 /nfs/dbraw/zinc/94/09/96/1028940996.db2.gz WDXRVXXFJJEJMI-LJQANCHMSA-N -1 3 397.906 3.926 20 0 GHADHM CC(C)Oc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001215076830 1029026818 /nfs/dbraw/zinc/02/68/18/1029026818.db2.gz XLIAFVXYKJWFSM-UHFFFAOYSA-N -1 3 376.812 3.788 20 0 GHADHM COc1ccc(-c2nc(-c3ccc([C@H]4CCc5cncn54)c(F)c3)no2)c([O-])c1 ZINC001215150171 1029062250 /nfs/dbraw/zinc/06/22/50/1029062250.db2.gz WGXPVQKVZXWVCF-GOSISDBHSA-N -1 3 392.390 3.989 20 0 GHADHM COc1cc(-c2nc(-c3cnc(C)cc3C(F)(F)F)no2)cc(OC)c1[O-] ZINC001215210617 1029091297 /nfs/dbraw/zinc/09/12/97/1029091297.db2.gz IBMPRYRGOVCGFZ-UHFFFAOYSA-N -1 3 381.310 3.849 20 0 GHADHM COc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC001142710723 1029311736 /nfs/dbraw/zinc/31/17/36/1029311736.db2.gz NUFXONVNTXXUGZ-IBGZPJMESA-N -1 3 383.835 3.565 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C(C)C)C(C)C)cc2)ccc1N ZINC001215658914 1029332484 /nfs/dbraw/zinc/33/24/84/1029332484.db2.gz FQLHHVJFEHBPKV-UHFFFAOYSA-N -1 3 389.521 3.637 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C3CC3)cnc2F)cc1Cl ZINC001215957302 1029471590 /nfs/dbraw/zinc/47/15/90/1029471590.db2.gz KBJUDIJFKCTGKH-UHFFFAOYSA-N -1 3 376.240 3.788 20 0 GHADHM c1ccc(COc2cc(-c3noc(-c4ccccc4-c4nnn[n-]4)n3)ccn2)cc1 ZINC001216014870 1029492992 /nfs/dbraw/zinc/49/29/92/1029492992.db2.gz XDMDRTLTHNIVMZ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2cc(-c3noc(-c4ccccc4-c4nn[n-]n4)n3)ccn2)cc1 ZINC001216014870 1029493000 /nfs/dbraw/zinc/49/30/00/1029493000.db2.gz XDMDRTLTHNIVMZ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)c1 ZINC001142860976 1029597361 /nfs/dbraw/zinc/59/73/61/1029597361.db2.gz PNGSOZZLIAFIBN-QFIPXVFZSA-N -1 3 382.435 3.893 20 0 GHADHM Cc1cccc([O-])c1-c1nc(-c2cnc(N(C)C)c(Br)c2)no1 ZINC001216540549 1029676810 /nfs/dbraw/zinc/67/68/10/1029676810.db2.gz WRPPZJDRONGXKG-UHFFFAOYSA-N -1 3 375.226 3.641 20 0 GHADHM COc1cc2ccc(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)cc2cc1OC ZINC001142914082 1029685337 /nfs/dbraw/zinc/68/53/37/1029685337.db2.gz YNEXOWGKMLHZIW-UHFFFAOYSA-N -1 3 397.431 3.788 20 0 GHADHM COc1cc2ccc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)cc2cc1OC ZINC001142914082 1029685343 /nfs/dbraw/zinc/68/53/43/1029685343.db2.gz YNEXOWGKMLHZIW-UHFFFAOYSA-N -1 3 397.431 3.788 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000842934987 1029699249 /nfs/dbraw/zinc/69/92/49/1029699249.db2.gz BXVJRCWAVQCPGG-UXHICEINSA-N -1 3 380.488 3.723 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2ccc(Br)c(F)c2F)no1 ZINC001216728747 1029907295 /nfs/dbraw/zinc/90/72/95/1029907295.db2.gz KSTTVGQEGWPSOD-UHFFFAOYSA-N -1 3 385.120 3.561 20 0 GHADHM Cc1cc(Br)c(F)cc1-c1noc(-c2c([O-])cc(O)cc2O)n1 ZINC001216728912 1029907602 /nfs/dbraw/zinc/90/76/02/1029907602.db2.gz SIXDCDPHAKRXRX-UHFFFAOYSA-N -1 3 381.157 3.730 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3ncc(Br)cc3C)no2)cc1OC ZINC001216744893 1029915641 /nfs/dbraw/zinc/91/56/41/1029915641.db2.gz KEFNQLAHKMFWPR-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM [O-]c1ccc(Br)c(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1 ZINC001216846853 1029961738 /nfs/dbraw/zinc/96/17/38/1029961738.db2.gz CAZNOHMAGMNABB-UHFFFAOYSA-N -1 3 389.205 3.917 20 0 GHADHM [O-]c1ccc(I)c(-c2nc(-c3cccc(F)c3)no2)c1 ZINC001216943076 1030015736 /nfs/dbraw/zinc/01/57/36/1030015736.db2.gz HVMSUKRUEHTUHI-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM Cc1cc(Br)ccc1-c1noc(-c2cccc(OCCO)c2[O-])n1 ZINC001216958105 1030031038 /nfs/dbraw/zinc/03/10/38/1030031038.db2.gz CTLZBAUCCNOSHT-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM CCOc1cccc(-c2nc(-c3ncc(OC)cc3Br)no2)c1[O-] ZINC001216958263 1030032033 /nfs/dbraw/zinc/03/20/33/1030032033.db2.gz DSRGYJWYMGUPJN-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM CS(=O)(=O)c1ccc(-c2noc(-c3ccc([O-])cc3C(F)(F)F)n2)cc1 ZINC001216981988 1030050397 /nfs/dbraw/zinc/05/03/97/1030050397.db2.gz CKIKYNXYFWCOCT-UHFFFAOYSA-N -1 3 384.335 3.532 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c(Cl)c1 ZINC001217019277 1030097575 /nfs/dbraw/zinc/09/75/75/1030097575.db2.gz OLYKHXLDRGBLCU-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(F)c3Cl)no2)cc1F ZINC001217019420 1030097728 /nfs/dbraw/zinc/09/77/28/1030097728.db2.gz TVQMVYAMYLOKLF-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM Cc1cc(C)c(-c2noc(-c3cc([O-])cc(I)c3)n2)cn1 ZINC001217065957 1030139041 /nfs/dbraw/zinc/13/90/41/1030139041.db2.gz RQIQUFYDGYEYRP-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM COc1cc(C(F)(F)F)ccc1-c1noc(-c2cccc3c2[N-]C(=O)C3=O)n1 ZINC001217354275 1030330045 /nfs/dbraw/zinc/33/00/45/1030330045.db2.gz CCDUHEHSNCRYRG-UHFFFAOYSA-N -1 3 389.289 3.566 20 0 GHADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001217452037 1030406496 /nfs/dbraw/zinc/40/64/96/1030406496.db2.gz AGRLPVHGMNPRFJ-UHFFFAOYSA-N -1 3 376.368 3.746 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001217471433 1030420431 /nfs/dbraw/zinc/42/04/31/1030420431.db2.gz QWSTZTDQJLJXPY-UHFFFAOYSA-N -1 3 376.372 3.608 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cccc(OC5CC5)c4)no3)n[n-]c21 ZINC001217471433 1030420443 /nfs/dbraw/zinc/42/04/43/1030420443.db2.gz QWSTZTDQJLJXPY-UHFFFAOYSA-N -1 3 376.372 3.608 20 0 GHADHM CCOc1cccc2cc(C(=O)[N-]c3nnc(SC)nc3SC)oc21 ZINC001150514839 1030551069 /nfs/dbraw/zinc/55/10/69/1030551069.db2.gz PHZICNDQVKDKGL-UHFFFAOYSA-N -1 3 376.463 3.713 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H](C)c3ccncc3F)nc21 ZINC001223401559 1030554337 /nfs/dbraw/zinc/55/43/37/1030554337.db2.gz BLDYXVOQLKWKGC-HUTHGQBESA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H](C)c3ccncc3F)[n-]c21 ZINC001223401559 1030554349 /nfs/dbraw/zinc/55/43/49/1030554349.db2.gz BLDYXVOQLKWKGC-HUTHGQBESA-N -1 3 381.766 3.980 20 0 GHADHM O=C([N-]c1ccnc(F)c1F)c1nn(-c2ccccc2)cc1Br ZINC001461695572 1069683957 /nfs/dbraw/zinc/68/39/57/1069683957.db2.gz VCAODNZURPZWRP-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM COc1nnc(NC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)[n-]1 ZINC001151031536 1030750589 /nfs/dbraw/zinc/75/05/89/1030750589.db2.gz HLZKPLUKZZJLBI-LBPRGKRZSA-N -1 3 379.464 3.765 20 0 GHADHM COc1nc(NC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)n[n-]1 ZINC001151031536 1030750605 /nfs/dbraw/zinc/75/06/05/1030750605.db2.gz HLZKPLUKZZJLBI-LBPRGKRZSA-N -1 3 379.464 3.765 20 0 GHADHM COc1n[n-]c(NC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)n1 ZINC001151031536 1030750624 /nfs/dbraw/zinc/75/06/24/1030750624.db2.gz HLZKPLUKZZJLBI-LBPRGKRZSA-N -1 3 379.464 3.765 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccc(OC(=O)N(C)C)c1 ZINC001151374399 1030887200 /nfs/dbraw/zinc/88/72/00/1030887200.db2.gz PTOZPRGHMSMJHF-UHFFFAOYSA-N -1 3 395.415 3.657 20 0 GHADHM CC(C)(CO)[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001151547125 1030939559 /nfs/dbraw/zinc/93/95/59/1030939559.db2.gz YNBVIFZUKISXGD-KRWDZBQOSA-N -1 3 398.890 3.714 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151812705 1031010922 /nfs/dbraw/zinc/01/09/22/1031010922.db2.gz GSOZKRRDDUAVQA-UHFFFAOYSA-N -1 3 396.454 3.635 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151812705 1031010940 /nfs/dbraw/zinc/01/09/40/1031010940.db2.gz GSOZKRRDDUAVQA-UHFFFAOYSA-N -1 3 396.454 3.635 20 0 GHADHM CCOc1nnc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)[n-]1 ZINC001152341950 1031199130 /nfs/dbraw/zinc/19/91/30/1031199130.db2.gz HHMKUJSVFUNBFO-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM CCOc1nc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)n[n-]1 ZINC001152341950 1031199140 /nfs/dbraw/zinc/19/91/40/1031199140.db2.gz HHMKUJSVFUNBFO-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM CCOc1n[n-]c(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)n1 ZINC001152341950 1031199143 /nfs/dbraw/zinc/19/91/43/1031199143.db2.gz HHMKUJSVFUNBFO-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM Cc1cc([O-])c(I)c(OC2CN(Cc3ccccc3)C2)c1 ZINC001225508591 1031444621 /nfs/dbraw/zinc/44/46/21/1031444621.db2.gz DNVWIIWBUYVGEU-UHFFFAOYSA-N -1 3 395.240 3.568 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225578056 1031487688 /nfs/dbraw/zinc/48/76/88/1031487688.db2.gz ASRWPPPSIMZLCM-CMPLNLGQSA-N -1 3 391.390 3.615 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1ccc2c(Cl)ccnc2c1 ZINC001153337820 1031542231 /nfs/dbraw/zinc/54/22/31/1031542231.db2.gz VKNOTPOMSFMVHM-UHFFFAOYSA-N -1 3 396.790 3.853 20 0 GHADHM O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225850231 1031651226 /nfs/dbraw/zinc/65/12/26/1031651226.db2.gz HRPYPDBNIJAPBQ-TXEJJXNPSA-N -1 3 384.379 3.685 20 0 GHADHM O=C(NC[C@@H]1CCc2ccccc21)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153880337 1031790146 /nfs/dbraw/zinc/79/01/46/1031790146.db2.gz BWAFRHBSUNMRNJ-ZDUSSCGKSA-N -1 3 397.272 3.750 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3[n-]c(=S)ncc3C3CC3)[C@@H]2C1 ZINC001226125857 1031800978 /nfs/dbraw/zinc/80/09/78/1031800978.db2.gz YVYSGHSNFWMMTI-NWANDNLSSA-N -1 3 377.510 3.667 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1nc(C2CC2)cs1 ZINC001154104191 1031928543 /nfs/dbraw/zinc/92/85/43/1031928543.db2.gz NCAZYYWLBRWGMU-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2ccc(I)cc2[O-])no1 ZINC001154104948 1031929891 /nfs/dbraw/zinc/92/98/91/1031929891.db2.gz YETRMAKGVBGPEF-UHFFFAOYSA-N -1 3 386.189 3.535 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CC[C@H](c4ccccc4)C(F)(F)C3)[n-]c2c1 ZINC001154114576 1031935399 /nfs/dbraw/zinc/93/53/99/1031935399.db2.gz FOXFKPWWSXFTJK-QGZVFWFLSA-N -1 3 398.409 3.802 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1cccc2c(OC)cccc12 ZINC001154147194 1031950689 /nfs/dbraw/zinc/95/06/89/1031950689.db2.gz POMSFIIPDDHUTB-UHFFFAOYSA-N -1 3 375.384 3.764 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc4c(OC)cccc34)n[n-]c21 ZINC001154147194 1031950698 /nfs/dbraw/zinc/95/06/98/1031950698.db2.gz POMSFIIPDDHUTB-UHFFFAOYSA-N -1 3 375.384 3.764 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001226478824 1031974205 /nfs/dbraw/zinc/97/42/05/1031974205.db2.gz JDZGXFKGYLNRHW-MLGOLLRUSA-N -1 3 379.453 3.715 20 0 GHADHM CCN1CCC(Oc2cc([O-])cc3occ(-c4ccc(O)cc4)c(=O)c23)CC1 ZINC001226496365 1031984756 /nfs/dbraw/zinc/98/47/56/1031984756.db2.gz KZBFLENYGIDSND-UHFFFAOYSA-N -1 3 381.428 3.734 20 0 GHADHM C[C@@H]1C[C@@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CCN1C(=O)OC(C)(C)C ZINC001226550309 1032008333 /nfs/dbraw/zinc/00/83/33/1032008333.db2.gz NXXWLTLABFCRBN-MNOVXSKESA-N -1 3 394.859 3.551 20 0 GHADHM C[C@H](OC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccc(Sc2ccccc2)cc1 ZINC001277367636 1033356473 /nfs/dbraw/zinc/35/64/73/1033356473.db2.gz NHXPUDPKVYKOQY-NSHDSACASA-N -1 3 383.429 3.539 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1cccc(Br)c1F ZINC001229337338 1033423326 /nfs/dbraw/zinc/42/33/26/1033423326.db2.gz DWCSVDUXTGJJCS-SECBINFHSA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1cccc(Br)c1F ZINC001229337338 1033423331 /nfs/dbraw/zinc/42/33/31/1033423331.db2.gz DWCSVDUXTGJJCS-SECBINFHSA-N -1 3 393.216 3.917 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc3[nH]c(CNC(=O)OC(C)(C)C)nc3c2)c1[O-] ZINC001157168797 1033444983 /nfs/dbraw/zinc/44/49/83/1033444983.db2.gz ZRNUSUIKGUCDLR-UHFFFAOYSA-N -1 3 396.447 3.854 20 0 GHADHM COc1cccc([C@@H](C)CCCC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157232741 1033483834 /nfs/dbraw/zinc/48/38/34/1033483834.db2.gz FISYMSMMFKGWHS-RYUDHWBXSA-N -1 3 384.402 3.983 20 0 GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157232341 1033484190 /nfs/dbraw/zinc/48/41/90/1033484190.db2.gz CFGOAFHCXMLPCX-QWRGUYRKSA-N -1 3 378.354 3.621 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1OC(F)(F)F ZINC001157244388 1033490168 /nfs/dbraw/zinc/49/01/68/1033490168.db2.gz VSOHKNYBFXQXMA-SSDOTTSWSA-N -1 3 382.264 3.522 20 0 GHADHM COc1ccc([C@@H]2CC(=O)c3c(O[C@@H]4CN5CCC4CC5)cc([O-])cc3O2)cc1 ZINC001229463654 1033496869 /nfs/dbraw/zinc/49/68/69/1033496869.db2.gz IXPPFKITDFAAPC-SIKLNZKXSA-N -1 3 395.455 3.580 20 0 GHADHM COc1ccc(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c([O-])c1 ZINC001157533909 1033645977 /nfs/dbraw/zinc/64/59/77/1033645977.db2.gz HVPXUIAOLXUKNS-LJQANCHMSA-N -1 3 375.852 3.952 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206064852 1033706219 /nfs/dbraw/zinc/70/62/19/1033706219.db2.gz QKLVGFWPXDEVTO-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM COC(=O)[C@H](Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21)C(F)(F)F ZINC001229806941 1033731708 /nfs/dbraw/zinc/73/17/08/1033731708.db2.gz CSPIBHUORHUHGN-INIZCTEOSA-N -1 3 386.322 3.548 20 0 GHADHM COC(=O)[C@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]1c1ccccc1 ZINC001158954066 1034356714 /nfs/dbraw/zinc/35/67/14/1034356714.db2.gz PGMLXFSEVAIXOT-FZMZJTMJSA-N -1 3 399.850 3.704 20 0 GHADHM CCNC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(OC)c3)no2)c(C)s1 ZINC001461904704 1069863947 /nfs/dbraw/zinc/86/39/47/1069863947.db2.gz ZRWPZEQLZHNVAY-UHFFFAOYSA-N -1 3 385.445 3.722 20 0 GHADHM COc1cccc2c(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)[n-]c(=O)nc12 ZINC001231347849 1034532097 /nfs/dbraw/zinc/53/20/97/1034532097.db2.gz URGWSYTVZNBHSF-BIRHUZIMSA-N -1 3 398.362 3.749 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCc3ncnc(-c4ccsc4)c3CC2)c1 ZINC001231459175 1034602222 /nfs/dbraw/zinc/60/22/22/1034602222.db2.gz JCMNKHUKIXGSOY-UHFFFAOYSA-N -1 3 383.448 3.643 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)C1 ZINC001231462021 1034606498 /nfs/dbraw/zinc/60/64/98/1034606498.db2.gz BZQPFRAKIMRSNM-KXBFYZLASA-N -1 3 398.500 3.617 20 0 GHADHM COCCOc1ccc(C(=O)Nc2c([O-])ccc(Br)c2C)cc1 ZINC001159552184 1034660953 /nfs/dbraw/zinc/66/09/53/1034660953.db2.gz XDQRKRBDSBIOAQ-UHFFFAOYSA-N -1 3 380.238 3.741 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)C1 ZINC001231523797 1034675094 /nfs/dbraw/zinc/67/50/94/1034675094.db2.gz YQZFXIPNHKOBOV-UHFFFAOYSA-N -1 3 386.414 3.854 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(NCOc2ccccc2)nc1 ZINC001159706322 1034719469 /nfs/dbraw/zinc/71/94/69/1034719469.db2.gz UOMXQBMDWCVYCH-UHFFFAOYSA-N -1 3 391.399 3.609 20 0 GHADHM COc1cc(OC)cc([C@H](C)NC(F)(F)c2cc(Cl)nc(=S)[n-]2)c1 ZINC001159815039 1034752019 /nfs/dbraw/zinc/75/20/19/1034752019.db2.gz JINNOLRHELQASO-QMMMGPOBSA-N -1 3 375.828 3.836 20 0 GHADHM [O-]c1cc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)ccc1Cl ZINC001231730668 1034867333 /nfs/dbraw/zinc/86/73/33/1034867333.db2.gz KKDJMAJLEBKWBQ-FPOVZHCZSA-N -1 3 388.895 3.891 20 0 GHADHM COc1ccc(CN2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)cc1C(=O)[O-] ZINC001231749461 1034879719 /nfs/dbraw/zinc/87/97/19/1034879719.db2.gz HYVNITHSZHNKST-HOCLYGCPSA-N -1 3 392.496 3.519 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001231791409 1034911017 /nfs/dbraw/zinc/91/10/17/1034911017.db2.gz MUSLSXTYQPIZAI-HXUWFJFHSA-N -1 3 381.472 3.689 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001231796543 1034914022 /nfs/dbraw/zinc/91/40/22/1034914022.db2.gz KHMKJYYCFQDOFW-UHFFFAOYSA-N -1 3 387.863 3.825 20 0 GHADHM CO[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1Br ZINC001160321537 1034939249 /nfs/dbraw/zinc/93/92/49/1034939249.db2.gz SXQXYSTVUWZYNO-MRXNPFEDSA-N -1 3 378.222 3.684 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC001208610793 1034953944 /nfs/dbraw/zinc/95/39/44/1034953944.db2.gz PFEYGMVVDQMVEI-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CN(CCNC(=O)c1cc(Br)cc(Cl)c1[O-])Cc1ccccc1 ZINC001160624372 1035018801 /nfs/dbraw/zinc/01/88/01/1035018801.db2.gz BXRWNJPPLVEWES-UHFFFAOYSA-N -1 3 397.700 3.670 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2nc3ccc(F)cc3n2C)c([O-])c1 ZINC001160759416 1035060065 /nfs/dbraw/zinc/06/00/65/1035060065.db2.gz PITIINNJMCSKCT-UHFFFAOYSA-N -1 3 385.439 3.569 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC001208856616 1035061982 /nfs/dbraw/zinc/06/19/82/1035061982.db2.gz UKAPBXPXMZJPLM-CABCVRRESA-N -1 3 385.501 3.743 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)c1ccccc1 ZINC001208876030 1035072565 /nfs/dbraw/zinc/07/25/65/1035072565.db2.gz UXLFWUMYNPSBOI-LLVKDONJSA-N -1 3 381.910 3.817 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)c([O-])c1 ZINC001161706279 1035287752 /nfs/dbraw/zinc/28/77/52/1035287752.db2.gz UEUOSMSQEANGOM-YZGWKJHDSA-N -1 3 394.515 3.909 20 0 GHADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])cc(F)c1Br ZINC001161709392 1035288631 /nfs/dbraw/zinc/28/86/31/1035288631.db2.gz GGACGXIHSKSLIJ-UHFFFAOYSA-N -1 3 376.185 3.798 20 0 GHADHM COc1ccc(Br)c(-c2noc(Cc3ccc([O-])cc3F)n2)c1 ZINC001248142368 1035562334 /nfs/dbraw/zinc/56/23/34/1035562334.db2.gz MNXLZAHOCSXODP-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=C(CCc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC001242168265 1035844814 /nfs/dbraw/zinc/84/48/14/1035844814.db2.gz KKYHGWRJDZIATI-UHFFFAOYSA-N -1 3 379.378 3.869 20 0 GHADHM NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243609716 1036218952 /nfs/dbraw/zinc/21/89/52/1036218952.db2.gz SVDKZRJDTZILBU-UHFFFAOYSA-N -1 3 385.285 3.744 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(OC)c(OCc4ccccc4)c3)ccc2[n-]1 ZINC001244207738 1036429321 /nfs/dbraw/zinc/42/93/21/1036429321.db2.gz SUGYACDXDKLXLU-UHFFFAOYSA-N -1 3 389.411 3.999 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OC)c(OCc4ccccc4)c3)nc2[n-]1 ZINC001244207738 1036429327 /nfs/dbraw/zinc/42/93/27/1036429327.db2.gz SUGYACDXDKLXLU-UHFFFAOYSA-N -1 3 389.411 3.999 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OC)c(OCc4ccccc4)c3)[n-]c-2n1 ZINC001244207738 1036429339 /nfs/dbraw/zinc/42/93/39/1036429339.db2.gz SUGYACDXDKLXLU-UHFFFAOYSA-N -1 3 389.411 3.999 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244525409 1036533513 /nfs/dbraw/zinc/53/35/13/1036533513.db2.gz OPEIOCDPFRHDAZ-IBGZPJMESA-N -1 3 384.407 3.698 20 0 GHADHM COc1ncc(-c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1[N-]S(C)(=O)=O ZINC001244795426 1036648400 /nfs/dbraw/zinc/64/84/00/1036648400.db2.gz BUNBCXNVGKPMPL-UHFFFAOYSA-N -1 3 394.456 3.672 20 0 GHADHM CCOC(=O)c1csc([N-]C(=O)c2cc(C(C)(C)C)on2)c1C(=O)OCC ZINC001462193950 1070070821 /nfs/dbraw/zinc/07/08/21/1070070821.db2.gz HFRKNEXWPRWVNO-UHFFFAOYSA-N -1 3 394.449 3.639 20 0 GHADHM CC(C)Oc1cc(Br)cc(-c2noc(C3CC(=O)C=C([O-])C3)n2)c1 ZINC001247547284 1038243098 /nfs/dbraw/zinc/24/30/98/1038243098.db2.gz UAVYIKNXYGZFMH-UHFFFAOYSA-N -1 3 393.237 3.692 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H](F)C(F)(F)C2)cc1I ZINC001232869007 1038636332 /nfs/dbraw/zinc/63/63/32/1038636332.db2.gz ZIWKPOXRLQLCAO-LBPRGKRZSA-N -1 3 385.167 3.566 20 0 GHADHM [O-]c1ccc(CN2CCCC[C@H]2C(F)(F)F)cc1I ZINC001232873304 1038637222 /nfs/dbraw/zinc/63/72/22/1038637222.db2.gz SZTBEYZXWBRTCC-LBPRGKRZSA-N -1 3 385.167 3.914 20 0 GHADHM [O-]c1cccc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1F ZINC001233051415 1038806357 /nfs/dbraw/zinc/80/63/57/1038806357.db2.gz RSZDRVHRXBNPOY-SIKLNZKXSA-N -1 3 386.467 3.514 20 0 GHADHM COC(=O)c1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001252044719 1038829429 /nfs/dbraw/zinc/82/94/29/1038829429.db2.gz ZQYOQKMCZHBWFA-UHFFFAOYSA-N -1 3 383.416 3.850 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC001252050529 1038833074 /nfs/dbraw/zinc/83/30/74/1038833074.db2.gz VZDDYGZFWAPWKO-QGZVFWFLSA-N -1 3 395.908 3.830 20 0 GHADHM O=C(c1ccc(Oc2ccc(Cl)cc2)cn1)N1CCCc2c(=O)[n-]cnc21 ZINC001462320253 1070168575 /nfs/dbraw/zinc/16/85/75/1070168575.db2.gz QTGIPLWKCYFXJV-UHFFFAOYSA-N -1 3 382.807 3.616 20 0 GHADHM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(CN(C)C)c1 ZINC001252382513 1038967419 /nfs/dbraw/zinc/96/74/19/1038967419.db2.gz HWWUNMDVEPOMLF-UHFFFAOYSA-N -1 3 384.505 3.511 20 0 GHADHM Cc1c(C)c(CN2CCC([N-]C(=O)C(F)(F)F)CC2)ccc1Br ZINC001233222203 1038981991 /nfs/dbraw/zinc/98/19/91/1038981991.db2.gz MDUDBTVYJVJXMM-UHFFFAOYSA-N -1 3 393.247 3.709 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1 ZINC001233394252 1039227767 /nfs/dbraw/zinc/22/77/67/1039227767.db2.gz GQFABDZKGPRLPW-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM O=C(c1ccsc1)N1CCC2(CCN(Cc3c(F)ccc([O-])c3F)C2)CC1 ZINC001233394476 1039228056 /nfs/dbraw/zinc/22/80/56/1039228056.db2.gz POSQPGLAEIZSSW-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1c(F)cccc1OC1CCOCC1 ZINC001253047018 1039376644 /nfs/dbraw/zinc/37/66/44/1039376644.db2.gz JAVGLAZMVHEIOF-SDNWHVSQSA-N -1 3 377.437 3.796 20 0 GHADHM COCCc1ccc(OC[C@@H](O)CNc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001253056915 1039385065 /nfs/dbraw/zinc/38/50/65/1039385065.db2.gz VYYWEXHIFNKBJQ-AWEZNQCLSA-N -1 3 386.275 3.740 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2Oc1c(Cl)ccc([O-])c1F ZINC001234266150 1039945863 /nfs/dbraw/zinc/94/58/63/1039945863.db2.gz ZAWGASNIFKFVIR-SCLBCKFNSA-N -1 3 387.835 3.732 20 0 GHADHM COC(=O)[C@@H]1CC[C@H](Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234380024 1039991858 /nfs/dbraw/zinc/99/18/58/1039991858.db2.gz OSEMGOVMNAFDLZ-KGLIPLIRSA-N -1 3 380.396 3.886 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2Oc1c([O-])cc(Cl)cc1F ZINC001234445759 1040039267 /nfs/dbraw/zinc/03/92/67/1040039267.db2.gz AZVZBYPYXYIQBS-KSSFIOAISA-N -1 3 387.835 3.732 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234693556 1040225376 /nfs/dbraw/zinc/22/53/76/1040225376.db2.gz YOQADGPQDLDQAB-CABCVRRESA-N -1 3 389.427 3.576 20 0 GHADHM O=C(c1ccccn1)[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccn1 ZINC001234693481 1040226001 /nfs/dbraw/zinc/22/60/01/1040226001.db2.gz YNIUWBPXJWIVPQ-FQEVSTJZSA-N -1 3 384.395 3.642 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(OC[C@@H](C)OC)c-2o1 ZINC001234731393 1040260493 /nfs/dbraw/zinc/26/04/93/1040260493.db2.gz FPDZBAVPJUOGCQ-GFCCVEGCSA-N -1 3 386.400 3.597 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1c(C)c(Br)cnc1Cl ZINC001254519794 1040293827 /nfs/dbraw/zinc/29/38/27/1040293827.db2.gz MVJBBKWIFUAJEF-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234790560 1040321312 /nfs/dbraw/zinc/32/13/12/1040321312.db2.gz HSXPQGVAWKADRM-BDQBCWGISA-N -1 3 391.464 3.546 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1C(C)=O ZINC001234791576 1040322280 /nfs/dbraw/zinc/32/22/80/1040322280.db2.gz PJJXGNOSIWPNLW-DZGCQCFKSA-N -1 3 397.443 3.638 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC001254590273 1040364219 /nfs/dbraw/zinc/36/42/19/1040364219.db2.gz CBZGQWKEFLXGGY-CYBMUJFWSA-N -1 3 399.285 3.787 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccc2ccccc2c1 ZINC001254827772 1040579247 /nfs/dbraw/zinc/57/92/47/1040579247.db2.gz MYMLYWXZJNFBDX-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1F ZINC001255335546 1040948764 /nfs/dbraw/zinc/94/87/64/1040948764.db2.gz LMEDEEFEUFLFRC-UHFFFAOYSA-N -1 3 383.416 3.984 20 0 GHADHM CC(C)(CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC001255897589 1041380895 /nfs/dbraw/zinc/38/08/95/1041380895.db2.gz BPTKVMFXBLUISF-UHFFFAOYSA-N -1 3 393.915 3.842 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCOCC1)c1ccc(F)cc1F ZINC001256098257 1041526178 /nfs/dbraw/zinc/52/61/78/1041526178.db2.gz KBSGHNMGRSPHJO-SFHVURJKSA-N -1 3 385.407 3.550 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1F)C1CCOCC1)c1ccc(F)cc1F ZINC001256098748 1041526318 /nfs/dbraw/zinc/52/63/18/1041526318.db2.gz WXMSQINIYYLKRK-GOSISDBHSA-N -1 3 385.407 3.550 20 0 GHADHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(Cl)c1 ZINC001256316209 1041700610 /nfs/dbraw/zinc/70/06/10/1041700610.db2.gz HVIXDYJWONNNMW-UHFFFAOYSA-N -1 3 388.272 3.900 20 0 GHADHM CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(Br)c([O-])c2)O1 ZINC001236684095 1041830136 /nfs/dbraw/zinc/83/01/36/1041830136.db2.gz JINDQRVIJAUXKM-SZVBFZGTSA-N -1 3 398.341 3.949 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2ccc(Br)c([O-])c2)C1 ZINC001236684627 1041830373 /nfs/dbraw/zinc/83/03/73/1041830373.db2.gz UZOCBZDCVNUKDN-DZGCQCFKSA-N -1 3 397.313 3.596 20 0 GHADHM O=C1OC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)c2ccccc21 ZINC001236688580 1041833411 /nfs/dbraw/zinc/83/34/11/1041833411.db2.gz YBTQBECLDAJWKU-UHFFFAOYSA-N -1 3 388.261 3.816 20 0 GHADHM COC(=O)c1ccc(C2CN(Cc3ccc(Br)c([O-])c3)C2)cc1 ZINC001236696556 1041837901 /nfs/dbraw/zinc/83/79/01/1041837901.db2.gz USSTVIOLGYJCKI-UHFFFAOYSA-N -1 3 376.250 3.541 20 0 GHADHM Cc1cccc(O[C@@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)n1 ZINC001236695901 1041837941 /nfs/dbraw/zinc/83/79/41/1041837941.db2.gz PXBWWVBBTXUBAZ-OAHLLOKOSA-N -1 3 377.282 3.902 20 0 GHADHM [O-]c1cc(CN2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)ccc1F ZINC001236700342 1041840606 /nfs/dbraw/zinc/84/06/06/1041840606.db2.gz WFPWIDMDOOVQPX-UHFFFAOYSA-N -1 3 385.483 3.623 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2occc2[S-])Cc2ccncc2)C1 ZINC001237181032 1042080678 /nfs/dbraw/zinc/08/06/78/1042080678.db2.gz CNWAIFFJKMOCST-MRXNPFEDSA-N -1 3 389.521 3.975 20 0 GHADHM CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1occc1[S-] ZINC001237186234 1042083721 /nfs/dbraw/zinc/08/37/21/1042083721.db2.gz LXOXXQQTTAXMGA-HNNXBMFYSA-N -1 3 391.489 3.638 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(N)c1 ZINC001237773267 1042362610 /nfs/dbraw/zinc/36/26/10/1042362610.db2.gz MDZBMRCZFZVIHU-UHFFFAOYSA-N -1 3 384.457 3.657 20 0 GHADHM O=C([N-]C1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1)C(F)(F)F ZINC001237775561 1042363998 /nfs/dbraw/zinc/36/39/98/1042363998.db2.gz YCISPIFDXALYAY-UHFFFAOYSA-N -1 3 387.789 3.638 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001238146027 1042503711 /nfs/dbraw/zinc/50/37/11/1042503711.db2.gz DJTGIAQEFRGSOI-MLGOLLRUSA-N -1 3 381.904 3.738 20 0 GHADHM Cc1cnccc1O[C@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238313373 1042552567 /nfs/dbraw/zinc/55/25/67/1042552567.db2.gz VLGIFCBUWKWTRS-LBPRGKRZSA-N -1 3 381.245 3.651 20 0 GHADHM O=C([O-])c1cc(-c2ccc(-c3ncnc4c3CCNC4)cc2)nc2ccccc21 ZINC001240886471 1042962923 /nfs/dbraw/zinc/96/29/23/1042962923.db2.gz NGGGAFVRBRKWOO-UHFFFAOYSA-N -1 3 382.423 3.703 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)s1 ZINC001256542636 1043496285 /nfs/dbraw/zinc/49/62/85/1043496285.db2.gz YEAQCGPTJWDNJE-UHFFFAOYSA-N -1 3 399.843 3.864 20 0 GHADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)c1cccc(Br)c1 ZINC001292541756 1043780321 /nfs/dbraw/zinc/78/03/21/1043780321.db2.gz WLGIYKSPNSOCPL-UHFFFAOYSA-N -1 3 380.257 3.930 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1F)C1CC1)c1cccc(Cl)c1Cl ZINC001257305886 1043961297 /nfs/dbraw/zinc/96/12/97/1043961297.db2.gz FGBFQPAHUNFDNV-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC001257661530 1044106701 /nfs/dbraw/zinc/10/67/01/1044106701.db2.gz HKKYLXGSSOAAKU-ZDUSSCGKSA-N -1 3 386.300 3.838 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(F)c1)C1CC1)c1c(Cl)cccc1Cl ZINC001257790283 1044174207 /nfs/dbraw/zinc/17/42/07/1044174207.db2.gz DLYLXYONDOLZDP-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001293450885 1044186588 /nfs/dbraw/zinc/18/65/88/1044186588.db2.gz LIOMSKGMSFGCJA-MRXNPFEDSA-N -1 3 377.282 3.941 20 0 GHADHM CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cn4nc(C)cc4C)cc3)o2)[n-]1 ZINC001257985161 1044313914 /nfs/dbraw/zinc/31/39/14/1044313914.db2.gz WLHLPWBZANVOHX-UHFFFAOYSA-N -1 3 391.431 3.770 20 0 GHADHM C[S@@](=O)(=NS(=O)(=O)[N-]C1CCC(c2ccccc2)CC1)C1CCCCC1 ZINC001462814306 1070565809 /nfs/dbraw/zinc/56/58/09/1070565809.db2.gz FYYGKZZWLNLNFM-KRFIBBNCSA-N -1 3 398.594 3.978 20 0 GHADHM CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001279081096 1044456088 /nfs/dbraw/zinc/45/60/88/1044456088.db2.gz DYDZWBLXROFGSQ-ROUUACIJSA-N -1 3 395.334 3.764 20 0 GHADHM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2c(Cl)cc([O-])cc2Cl)n(C)n1 ZINC001279082489 1044467878 /nfs/dbraw/zinc/46/78/78/1044467878.db2.gz VBROQWAPBNRZBO-OALUTQOASA-N -1 3 395.334 3.590 20 0 GHADHM CCCCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC001294414932 1044613160 /nfs/dbraw/zinc/61/31/60/1044613160.db2.gz RTDVCXCNTGVJDA-UHFFFAOYSA-N -1 3 390.487 3.906 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001258804879 1044770811 /nfs/dbraw/zinc/77/08/11/1044770811.db2.gz JRPNDOFLPJNOPC-UHFFFAOYSA-N -1 3 388.411 3.754 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001258804958 1044770951 /nfs/dbraw/zinc/77/09/51/1044770951.db2.gz KKCYSEWDSHMVKE-NSHDSACASA-N -1 3 395.481 3.678 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)o1 ZINC001462857281 1070601891 /nfs/dbraw/zinc/60/18/91/1070601891.db2.gz DEPVLWYBUAFSQL-WPRPVWTQSA-N -1 3 394.802 3.949 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cnccc1-c1ccccc1)C(=O)C2 ZINC001258966613 1044910341 /nfs/dbraw/zinc/91/03/41/1044910341.db2.gz CWWDDMRIJIKLSE-KKSFZXQISA-N -1 3 384.501 3.886 20 0 GHADHM COc1c(N)c(C(=O)Nc2cccc([O-])c2F)cc(Cl)c1Br ZINC001295128475 1044926217 /nfs/dbraw/zinc/92/62/17/1044926217.db2.gz UFZLAQDREZTSAH-UHFFFAOYSA-N -1 3 389.608 3.790 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c([O-])c1 ZINC001295173411 1044937933 /nfs/dbraw/zinc/93/79/33/1044937933.db2.gz ZXNOUMGIFTZOSY-JTQLQIEISA-N -1 3 382.229 3.663 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CC1)c1ccc(Br)s1 ZINC001259062033 1044943090 /nfs/dbraw/zinc/94/30/90/1044943090.db2.gz IQAGGZUROCGBLC-UHFFFAOYSA-N -1 3 390.299 3.703 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2c(Cl)ccc(Br)c2O)c1 ZINC001259190284 1044999324 /nfs/dbraw/zinc/99/93/24/1044999324.db2.gz FQHMFKSAAQPZPA-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(Br)cccc1C(C)=O ZINC001259205912 1045008297 /nfs/dbraw/zinc/00/82/97/1045008297.db2.gz NVNYVPMNVZDGLK-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM O=C(NCCOc1ccccc1Cl)c1c[n-]c2c(Cl)cccc2c1=O ZINC001295433810 1045009829 /nfs/dbraw/zinc/00/98/29/1045009829.db2.gz NPXDCUHOSSJULC-UHFFFAOYSA-N -1 3 377.227 3.644 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OCc2ccccc2)cc1 ZINC001259258359 1045048599 /nfs/dbraw/zinc/04/85/99/1045048599.db2.gz FKPRRCKNQWRWJV-FQEVSTJZSA-N -1 3 389.517 3.573 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1-c1ccccc1)C(=O)N2 ZINC001259336391 1045087249 /nfs/dbraw/zinc/08/72/49/1045087249.db2.gz FKTXYFQEPGSYFO-HXUWFJFHSA-N -1 3 378.453 3.634 20 0 GHADHM CCC(CC)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001259345660 1045092813 /nfs/dbraw/zinc/09/28/13/1045092813.db2.gz SHLAMACNWNTBOS-UHFFFAOYSA-N -1 3 377.462 3.826 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3F)cc2o1 ZINC001259384453 1045112855 /nfs/dbraw/zinc/11/28/55/1045112855.db2.gz QUSYITWGZBBIRN-UHFFFAOYSA-N -1 3 377.180 3.780 20 0 GHADHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC001462886812 1070626449 /nfs/dbraw/zinc/62/64/49/1070626449.db2.gz DWPDPRYWMQKYEP-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(Br)c1)c1ccc(OC(F)F)cc1 ZINC001259430629 1045147207 /nfs/dbraw/zinc/14/72/07/1045147207.db2.gz XJCXDDGKXHWEJT-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM O=S(=O)([N-]CCCc1cncc(C(F)(F)F)c1)c1cccc(Cl)c1F ZINC001259463273 1045177710 /nfs/dbraw/zinc/17/77/10/1045177710.db2.gz JTUTZWVBTBAWBP-UHFFFAOYSA-N -1 3 396.793 3.804 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2F)no1)c1cccc(Cl)c1F ZINC001259473814 1045185746 /nfs/dbraw/zinc/18/57/46/1045185746.db2.gz MABAHNNHMXUJQU-UHFFFAOYSA-N -1 3 384.791 3.752 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)c(F)c1 ZINC001259489970 1045197745 /nfs/dbraw/zinc/19/77/45/1045197745.db2.gz BCQFSOPEAIKRNA-HNNXBMFYSA-N -1 3 383.416 3.632 20 0 GHADHM Cc1ccc(N2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)cc1C ZINC001295963548 1045202231 /nfs/dbraw/zinc/20/22/31/1045202231.db2.gz NEKRVIKJOSCUHS-UHFFFAOYSA-N -1 3 395.890 3.761 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1Cl)C1CC1)c1ccc(Cl)cc1F ZINC001259514893 1045216197 /nfs/dbraw/zinc/21/61/97/1045216197.db2.gz NEJCYMBVCKESJO-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)c([O-])c1 ZINC001296113713 1045255918 /nfs/dbraw/zinc/25/59/18/1045255918.db2.gz OTYBRTOWMQDVQX-ZHRRBRCNSA-N -1 3 380.488 3.650 20 0 GHADHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1cncc(OCc2ccccc2)c1 ZINC001259755593 1045288905 /nfs/dbraw/zinc/28/89/05/1045288905.db2.gz VRUXGJTYPARZSF-UHFFFAOYSA-N -1 3 386.448 3.784 20 0 GHADHM Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC001260010552 1045354414 /nfs/dbraw/zinc/35/44/14/1045354414.db2.gz MZQCZVHARXBMQI-UHFFFAOYSA-N -1 3 378.457 3.589 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(F)(F)F)c1cnc2ccccc2c1 ZINC001260013639 1045355384 /nfs/dbraw/zinc/35/53/84/1045355384.db2.gz FTPUIBSLRNMHQH-INIZCTEOSA-N -1 3 382.363 3.522 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1cnc2ccccc2c1 ZINC001260013135 1045355515 /nfs/dbraw/zinc/35/55/15/1045355515.db2.gz UCWKVOCWCBCUEF-UHFFFAOYSA-N -1 3 379.235 3.504 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1nc(Cl)cnc1Cl ZINC001260028164 1045361971 /nfs/dbraw/zinc/36/19/71/1045361971.db2.gz BDSPGVSQJXZSIT-UHFFFAOYSA-N -1 3 386.182 3.744 20 0 GHADHM Cc1ccc([C@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001297057124 1045437255 /nfs/dbraw/zinc/43/72/55/1045437255.db2.gz GWIIESPFLHOAEW-HSZRJFAPSA-N -1 3 375.468 3.949 20 0 GHADHM COc1cc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc(Cl)c1[O-] ZINC001260372825 1045480092 /nfs/dbraw/zinc/48/00/92/1045480092.db2.gz OVDYKQPCIRPJTH-UHFFFAOYSA-N -1 3 396.679 3.840 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1F)c1ccc(Br)cc1F ZINC001260380046 1045483428 /nfs/dbraw/zinc/48/34/28/1045483428.db2.gz KHKMGAKLCYRMLW-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CC(C)N1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001260558607 1045545422 /nfs/dbraw/zinc/54/54/22/1045545422.db2.gz PDWCVMYOQPWBOB-UHFFFAOYSA-N -1 3 385.744 3.798 20 0 GHADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)ccc2o1 ZINC001260637813 1045584221 /nfs/dbraw/zinc/58/42/21/1045584221.db2.gz QEJNVGNAMWRQOY-UHFFFAOYSA-N -1 3 389.429 3.727 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]C1(CC2CC2)CCC(F)(F)CC1 ZINC001260655077 1045594658 /nfs/dbraw/zinc/59/46/58/1045594658.db2.gz FHSMBUBZKPUDLU-UHFFFAOYSA-N -1 3 377.428 3.861 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCCC2)c1 ZINC001260812041 1045679291 /nfs/dbraw/zinc/67/92/91/1045679291.db2.gz UEXQVKVBPUOWRZ-UHFFFAOYSA-N -1 3 391.468 3.575 20 0 GHADHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1ccc(-c2nnco2)cc1 ZINC001260896821 1045753352 /nfs/dbraw/zinc/75/33/52/1045753352.db2.gz YTHJTFWWZCLPNP-UHFFFAOYSA-N -1 3 383.351 3.697 20 0 GHADHM Cc1nn(C)c2cc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)ccc12 ZINC001298296899 1045765620 /nfs/dbraw/zinc/76/56/20/1045765620.db2.gz HUSYYHLPGLHXNJ-UHFFFAOYSA-N -1 3 387.465 3.938 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1cccnc1 ZINC001260910621 1045765911 /nfs/dbraw/zinc/76/59/11/1045765911.db2.gz GSZAXOWLSPKXDI-ZDUSSCGKSA-N -1 3 391.237 3.552 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C)c1cccc2ccccc21 ZINC001261002207 1045818678 /nfs/dbraw/zinc/81/86/78/1045818678.db2.gz ILDGWZXZWDYUKX-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001298513957 1045845462 /nfs/dbraw/zinc/84/54/62/1045845462.db2.gz OSDKYXFJTJZWQR-UHFFFAOYSA-N -1 3 379.235 3.618 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)c1 ZINC001298552734 1045868722 /nfs/dbraw/zinc/86/87/22/1045868722.db2.gz SZIGXCJXTZKDHP-CQSZACIVSA-N -1 3 399.878 3.521 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001261062589 1045883673 /nfs/dbraw/zinc/88/36/73/1045883673.db2.gz LXNCECNEWOKDLE-QJPTWQEYSA-N -1 3 391.942 3.825 20 0 GHADHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2C(=O)OC)cc1 ZINC001261064849 1045883697 /nfs/dbraw/zinc/88/36/97/1045883697.db2.gz SXJVLTHLKNQMMV-SNVBAGLBSA-N -1 3 387.910 3.790 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CC(C)(C)C)cs2)c1 ZINC001299072332 1046006407 /nfs/dbraw/zinc/00/64/07/1046006407.db2.gz GJLQCHYFFQTBIB-ZDUSSCGKSA-N -1 3 389.521 3.893 20 0 GHADHM O=C([N-]C1(c2ccc3c(c2)OCCO3)CC1)C(F)(F)c1cc(F)cc(F)c1 ZINC001463022961 1070737403 /nfs/dbraw/zinc/73/74/03/1070737403.db2.gz SAAYIPGOHUHLLN-UHFFFAOYSA-N -1 3 381.325 3.633 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC001463025534 1070739226 /nfs/dbraw/zinc/73/92/26/1070739226.db2.gz IUABTAIYVFKKJK-YOEHRIQHSA-N -1 3 382.888 3.954 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2)cs1 ZINC001463048795 1070756684 /nfs/dbraw/zinc/75/66/84/1070756684.db2.gz LQJGKGHJAHCHDT-CJNGLKHVSA-N -1 3 396.534 3.522 20 0 GHADHM CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001301319044 1046483199 /nfs/dbraw/zinc/48/31/99/1046483199.db2.gz UCZAJPJQARYUQH-CYBMUJFWSA-N -1 3 392.249 3.635 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001263007749 1046494638 /nfs/dbraw/zinc/49/46/38/1046494638.db2.gz AARBFKOYYRSAOL-HUUCEWRRSA-N -1 3 392.956 3.632 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])c2ccccc2c1 ZINC001301473326 1046556534 /nfs/dbraw/zinc/55/65/34/1046556534.db2.gz APZFCDPIJLYMSK-CALCHBBNSA-N -1 3 382.460 3.769 20 0 GHADHM Cc1cc(F)ccc1-c1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1F ZINC001301716221 1046672988 /nfs/dbraw/zinc/67/29/88/1046672988.db2.gz PTSITLLLSAEUGV-UHFFFAOYSA-N -1 3 381.382 3.900 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3cc([O-])ccc3Cl)C[C@@]2(C)C1 ZINC001301815542 1046719316 /nfs/dbraw/zinc/71/93/16/1046719316.db2.gz VQNQTOXYYBCIEZ-BGYRXZFFSA-N -1 3 394.899 3.765 20 0 GHADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001463118050 1070814339 /nfs/dbraw/zinc/81/43/39/1070814339.db2.gz QPMXUQKGPLXGLO-UHFFFAOYSA-N -1 3 382.295 3.844 20 0 GHADHM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)C2)C1 ZINC001302717793 1047061973 /nfs/dbraw/zinc/06/19/73/1047061973.db2.gz GYUKXOWLYJAHEP-CHWSQXEVSA-N -1 3 384.929 3.610 20 0 GHADHM O=C(NCc1cc2cc(Br)ccc2o1)c1cc(F)cc2n[n-]nc21 ZINC001303170581 1047301846 /nfs/dbraw/zinc/30/18/46/1047301846.db2.gz QXPHMLWJRXWTMC-UHFFFAOYSA-N -1 3 389.184 3.536 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2c(F)cc(F)cc2F)s1 ZINC001303407709 1047386048 /nfs/dbraw/zinc/38/60/48/1047386048.db2.gz NVQULDOAUNIQKT-UHFFFAOYSA-N -1 3 387.383 3.837 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)Oc1cccc(F)c1 ZINC001463195541 1070903306 /nfs/dbraw/zinc/90/33/06/1070903306.db2.gz SAQMYEIYZOAPJW-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)sc1Br ZINC001463199150 1070905882 /nfs/dbraw/zinc/90/58/82/1070905882.db2.gz AIPYOYWJWOHDLC-SWLSCSKDSA-N -1 3 386.336 3.828 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1cccc(Cl)c1 ZINC001463219684 1070919040 /nfs/dbraw/zinc/91/90/40/1070919040.db2.gz MPOXIIKVIRUOSJ-ZDUSSCGKSA-N -1 3 375.824 3.593 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2N(C)c2ccccc2)[n-]n1 ZINC001304101587 1047586822 /nfs/dbraw/zinc/58/68/22/1047586822.db2.gz RAAINKCJOAHWAL-UHFFFAOYSA-N -1 3 378.432 3.995 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2N(C)c2ccccc2)n[n-]1 ZINC001304101587 1047586828 /nfs/dbraw/zinc/58/68/28/1047586828.db2.gz RAAINKCJOAHWAL-UHFFFAOYSA-N -1 3 378.432 3.995 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)[n-]n1 ZINC001304101855 1047587159 /nfs/dbraw/zinc/58/71/59/1047587159.db2.gz WDQOVNDHDSQMII-NSHDSACASA-N -1 3 394.269 3.555 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)n[n-]1 ZINC001304101855 1047587161 /nfs/dbraw/zinc/58/71/61/1047587161.db2.gz WDQOVNDHDSQMII-NSHDSACASA-N -1 3 394.269 3.555 20 0 GHADHM C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131011 1047595421 /nfs/dbraw/zinc/59/54/21/1047595421.db2.gz GSXDYIBUKSWUEU-QMMMGPOBSA-N -1 3 378.807 3.837 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)ccc2c1 ZINC001304133458 1047595867 /nfs/dbraw/zinc/59/58/67/1047595867.db2.gz WROBNZVIPBUXPF-OHYQPGSNSA-N -1 3 390.365 3.876 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)cnc1Cl ZINC001265364600 1047596770 /nfs/dbraw/zinc/59/67/70/1047596770.db2.gz ZXHBBMVFMNGQSF-UHFFFAOYSA-N -1 3 388.842 3.906 20 0 GHADHM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)c1ccccc1 ZINC001265444675 1047610051 /nfs/dbraw/zinc/61/00/51/1047610051.db2.gz WDIMFBISZGQAED-MRXNPFEDSA-N -1 3 397.805 3.861 20 0 GHADHM COCCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1Br ZINC001304390918 1047668474 /nfs/dbraw/zinc/66/84/74/1047668474.db2.gz LMFNYFUDKRYWDL-UHFFFAOYSA-N -1 3 398.228 3.500 20 0 GHADHM COC(=O)c1cc(NC(=O)/C=C(\C)c2ccccc2Cl)c([O-])c(OC)c1 ZINC001304504355 1047695109 /nfs/dbraw/zinc/69/51/09/1047695109.db2.gz CNTJTZJKBKGZOG-DHZHZOJOSA-N -1 3 375.808 3.883 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001304568213 1047715899 /nfs/dbraw/zinc/71/58/99/1047715899.db2.gz UFWGLSZYXIROOT-JKSUJKDBSA-N -1 3 397.381 3.787 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001304568213 1047715904 /nfs/dbraw/zinc/71/59/04/1047715904.db2.gz UFWGLSZYXIROOT-JKSUJKDBSA-N 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ZINC001306225511 1048515072 /nfs/dbraw/zinc/51/50/72/1048515072.db2.gz NEOFFUBSAQTUHD-UHFFFAOYSA-N -1 3 395.440 3.797 20 0 GHADHM COc1cccc([C@@H](OC)C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC001306839635 1048922857 /nfs/dbraw/zinc/92/28/57/1048922857.db2.gz SYSDGCVZLOMXEC-QGZVFWFLSA-N -1 3 378.388 3.553 20 0 GHADHM COc1cccc([C@@H](OC)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC001306839635 1048922865 /nfs/dbraw/zinc/92/28/65/1048922865.db2.gz SYSDGCVZLOMXEC-QGZVFWFLSA-N -1 3 378.388 3.553 20 0 GHADHM COc1cc(Cl)c(F)c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1 ZINC001289506013 1049519436 /nfs/dbraw/zinc/51/94/36/1049519436.db2.gz UZYYIKJSJMQTTH-UHFFFAOYSA-N -1 3 378.766 3.588 20 0 GHADHM CC1(C)Cc2nc(CN3CCC(c4n[n-]c(=O)o4)CC3)sc2C(C)(C)C1 ZINC001307766899 1049579374 /nfs/dbraw/zinc/57/93/74/1049579374.db2.gz OONNNGHEJBMIJE-UHFFFAOYSA-N -1 3 376.526 3.861 20 0 GHADHM CCc1cc2c(CN3CCN(c4cccc(F)c4)C[C@@H]3C)cc(=O)oc2cc1[O-] ZINC001307809313 1049607206 /nfs/dbraw/zinc/60/72/06/1049607206.db2.gz TWXFGELBFFMZOD-HNNXBMFYSA-N -1 3 396.462 3.911 20 0 GHADHM Cc1ccc(O)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC001290496635 1049858128 /nfs/dbraw/zinc/85/81/28/1049858128.db2.gz KECJBGXEVGMDAO-UHFFFAOYSA-N -1 3 382.441 3.754 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1 ZINC001290976462 1049963663 /nfs/dbraw/zinc/96/36/63/1049963663.db2.gz CCKYYOWYGDYNND-UHFFFAOYSA-N -1 3 382.435 3.898 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1ccccn1 ZINC001308992938 1050253400 /nfs/dbraw/zinc/25/34/00/1050253400.db2.gz KPZMGGBTRRZSCX-JTQLQIEISA-N -1 3 381.251 3.630 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(F)cc1Br ZINC001309083431 1050334288 /nfs/dbraw/zinc/33/42/88/1050334288.db2.gz DZYPCGHMNZCNGX-LBPRGKRZSA-N -1 3 384.270 3.515 20 0 GHADHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1occc1Br ZINC001309125606 1050382676 /nfs/dbraw/zinc/38/26/76/1050382676.db2.gz RAHUTRKHUQKSCX-ZDUSSCGKSA-N -1 3 388.283 3.870 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC001309155512 1050410400 /nfs/dbraw/zinc/41/04/00/1050410400.db2.gz XWEMORUZSWTFJH-DOTOQJQBSA-N -1 3 393.530 3.615 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)c(C)c1Cl ZINC001309190900 1050451268 /nfs/dbraw/zinc/45/12/68/1050451268.db2.gz ZGHCCCOFPNVLKV-WCABBAIRSA-N -1 3 379.931 3.600 20 0 GHADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001309205425 1050471714 /nfs/dbraw/zinc/47/17/14/1050471714.db2.gz FUTXEPAPSSRDII-CQSZACIVSA-N -1 3 388.942 3.947 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC001309207649 1050473034 /nfs/dbraw/zinc/47/30/34/1050473034.db2.gz DJTZRWCOTRAYAA-VXGBXAGGSA-N -1 3 381.519 3.791 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001328616835 1050561292 /nfs/dbraw/zinc/56/12/92/1050561292.db2.gz QDRPMOPBITYGCQ-QGZVFWFLSA-N -1 3 399.882 3.707 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001309370044 1050646629 /nfs/dbraw/zinc/64/66/29/1050646629.db2.gz NJOQEKYYTDFRPO-GOEBONIOSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)n1 ZINC001309384499 1050664723 /nfs/dbraw/zinc/66/47/23/1050664723.db2.gz IGAWGTYDGRRDLC-LLVKDONJSA-N -1 3 379.532 3.657 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c(F)cc1Br ZINC001309386409 1050667757 /nfs/dbraw/zinc/66/77/57/1050667757.db2.gz KLAMBPPHVVCJPV-LBPRGKRZSA-N -1 3 386.286 3.979 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)sc1Br ZINC001309416670 1050700062 /nfs/dbraw/zinc/70/00/62/1050700062.db2.gz IXSKKFDTDPVTTE-UHFFFAOYSA-N -1 3 386.336 3.873 20 0 GHADHM CC[C@]([N-]S(=O)(=O)c1cc(C)ccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC001309487244 1050758446 /nfs/dbraw/zinc/75/84/46/1050758446.db2.gz CGXYGGDWCQXHDM-LJQANCHMSA-N -1 3 395.908 3.714 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(C)C ZINC001309522227 1050780557 /nfs/dbraw/zinc/78/05/57/1050780557.db2.gz HMLOENPIRHMVKW-JTQLQIEISA-N -1 3 394.306 3.701 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1ccccc1Cl ZINC001309530926 1050788033 /nfs/dbraw/zinc/78/80/33/1050788033.db2.gz MDOBYYKZZJXZAQ-QMMMGPOBSA-N -1 3 393.665 3.676 20 0 GHADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001309564390 1050817108 /nfs/dbraw/zinc/81/71/08/1050817108.db2.gz UOXTUCNSZUBUMG-UHFFFAOYSA-N -1 3 398.750 3.894 20 0 GHADHM O=S(=O)([N-][C@H](C1CCC1)C1CCCC1)c1cc2nc(Cl)ncc2s1 ZINC001309620835 1050871636 /nfs/dbraw/zinc/87/16/36/1050871636.db2.gz TVZYPUJHGKEMCR-HNNXBMFYSA-N -1 3 385.942 3.982 20 0 GHADHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC001309628554 1050878403 /nfs/dbraw/zinc/87/84/03/1050878403.db2.gz VIEFJPKMLRFIJG-JTQLQIEISA-N -1 3 398.750 3.832 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)c(F)cc1F ZINC001309700344 1050926727 /nfs/dbraw/zinc/92/67/27/1050926727.db2.gz FINWSUKYFBOQSH-CYBMUJFWSA-N -1 3 396.242 3.592 20 0 GHADHM O=c1[n-]c(SCC2CCC(O)CC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC001330286281 1050994120 /nfs/dbraw/zinc/99/41/20/1050994120.db2.gz OSPGDWYVGDQGRJ-UHFFFAOYSA-N -1 3 390.896 3.818 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC3(CC3)C2)c(F)cc1Br ZINC001309897369 1051030619 /nfs/dbraw/zinc/03/06/19/1051030619.db2.gz GNOBXSYBDNLXHT-LLVKDONJSA-N -1 3 376.291 3.898 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001309896051 1051030682 /nfs/dbraw/zinc/03/06/82/1051030682.db2.gz NQVIRPGKDDYIJZ-JTQLQIEISA-N -1 3 390.431 3.551 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC001309918378 1051042958 /nfs/dbraw/zinc/04/29/58/1051042958.db2.gz XGEHWPNUAWKQNN-CQSZACIVSA-N -1 3 395.443 3.521 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC12CCCCC2)c1c2ncsc2ccc1Cl ZINC001309921455 1051044955 /nfs/dbraw/zinc/04/49/55/1051044955.db2.gz RZVAZNGKIZKIRA-ZDUSSCGKSA-N -1 3 386.926 3.720 20 0 GHADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001310384848 1051322820 /nfs/dbraw/zinc/32/28/20/1051322820.db2.gz OGTNRWAVHQYFMI-UHFFFAOYSA-N -1 3 390.369 3.929 20 0 GHADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001310384848 1051322834 /nfs/dbraw/zinc/32/28/34/1051322834.db2.gz OGTNRWAVHQYFMI-UHFFFAOYSA-N -1 3 390.369 3.929 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(N2CCC(c3c[nH]cn3)CC2)cc1 ZINC001337066560 1052390565 /nfs/dbraw/zinc/39/05/65/1052390565.db2.gz JEWVOOUNYPEBMN-UHFFFAOYSA-N -1 3 382.489 3.595 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2cc(C)cc(C)c2)CC1 ZINC001342563597 1053240725 /nfs/dbraw/zinc/24/07/25/1053240725.db2.gz UCDFFRXGCZQCRI-UHFFFAOYSA-N -1 3 392.507 3.770 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(CCC(N)=O)cc1 ZINC001318248732 1054524081 /nfs/dbraw/zinc/52/40/81/1054524081.db2.gz UKBOUUPHZKYEQK-UHFFFAOYSA-N -1 3 388.533 3.820 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2CC(C)C)cc(=O)[n-]1 ZINC001344499929 1054524157 /nfs/dbraw/zinc/52/41/57/1054524157.db2.gz MNQZRTANBFFFRU-MRXNPFEDSA-N -1 3 384.509 3.808 20 0 GHADHM CCc1ccc(-c2nc(COC(=O)CCc3c(C)nc[n-]c3=O)cs2)cc1 ZINC001318555228 1054716993 /nfs/dbraw/zinc/71/69/93/1054716993.db2.gz BSIUNJJHSHHTAL-UHFFFAOYSA-N -1 3 383.473 3.853 20 0 GHADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cccc3c2COC3=O)c2cccnc12 ZINC001318630549 1054758947 /nfs/dbraw/zinc/75/89/47/1054758947.db2.gz GLHAISWVHSUTDB-UHFFFAOYSA-N -1 3 388.832 3.668 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCc3coc(-c4ccccc4)n3)o2)CC1 ZINC001345148516 1054920957 /nfs/dbraw/zinc/92/09/57/1054920957.db2.gz IRZAGLXRAMUJCD-UHFFFAOYSA-N -1 3 395.459 3.568 20 0 GHADHM CC[C@H]1c2ccsc2CCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001345200438 1054938434 /nfs/dbraw/zinc/93/84/34/1054938434.db2.gz DCFZCHAMVIFLOZ-INIZCTEOSA-N -1 3 396.520 3.734 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc4c(c3)CCO4)c2)n1 ZINC001319050695 1055010131 /nfs/dbraw/zinc/01/01/31/1055010131.db2.gz MMDSYECTALPIRM-UHFFFAOYSA-N -1 3 389.455 3.918 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001319052869 1055011805 /nfs/dbraw/zinc/01/18/05/1055011805.db2.gz KSLNIRIDUZZDFT-KUHUBIRLSA-N -1 3 392.496 3.643 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC001345560232 1055108024 /nfs/dbraw/zinc/10/80/24/1055108024.db2.gz FPANUCSHQUWKTN-QGZVFWFLSA-N -1 3 396.443 3.511 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC001319699744 1055406121 /nfs/dbraw/zinc/40/61/21/1055406121.db2.gz DSKRCNFAUXGAIA-UHFFFAOYSA-N -1 3 379.435 3.791 20 0 GHADHM NC(=O)c1cnc(C(=O)[N-]c2ccccc2SC(F)(F)F)c(Cl)c1 ZINC001319752864 1055444171 /nfs/dbraw/zinc/44/41/71/1055444171.db2.gz NQHPVVAWNQQGTN-UHFFFAOYSA-N -1 3 375.759 3.698 20 0 GHADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001320758021 1055951208 /nfs/dbraw/zinc/95/12/08/1055951208.db2.gz YIWABMHBFQEPOH-UHFFFAOYSA-N -1 3 395.366 3.665 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(OCc2ccc(C)cc2)c1 ZINC001200543092 1056279231 /nfs/dbraw/zinc/27/92/31/1056279231.db2.gz QHBCPKJJCRZRGV-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 ZINC001200543092 1056279249 /nfs/dbraw/zinc/27/92/49/1056279249.db2.gz QHBCPKJJCRZRGV-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1c2ccccc2C[C@@H]1CO ZINC001300583913 1056547144 /nfs/dbraw/zinc/54/71/44/1056547144.db2.gz DTOMLNMDXHDCHT-GOSISDBHSA-N -1 3 375.424 3.535 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)ccc1F ZINC001322272159 1056599563 /nfs/dbraw/zinc/59/95/63/1056599563.db2.gz YLWBFGSAVNXXFN-UHFFFAOYSA-N -1 3 395.843 3.883 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC001322698236 1056805905 /nfs/dbraw/zinc/80/59/05/1056805905.db2.gz JOZDKOJJUYQHML-UHFFFAOYSA-N -1 3 380.473 3.749 20 0 GHADHM Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1Cl ZINC001323085077 1056919820 /nfs/dbraw/zinc/91/98/20/1056919820.db2.gz NJYPTTNDJHRWLV-UHFFFAOYSA-N -1 3 382.247 3.559 20 0 GHADHM Cc1cc(CCCC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c(C)s1 ZINC001323734610 1057006470 /nfs/dbraw/zinc/00/64/70/1057006470.db2.gz JFRYJDJONYBQAP-UHFFFAOYSA-N -1 3 398.525 3.515 20 0 GHADHM CC(C)(C)OC(=O)NCc1nocc1C(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000848375628 1057052456 /nfs/dbraw/zinc/05/24/56/1057052456.db2.gz VLASDBILAVWTBZ-UHFFFAOYSA-N -1 3 390.440 3.771 20 0 GHADHM CC(C)(C)c1nnc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)o1 ZINC001324152177 1057079736 /nfs/dbraw/zinc/07/97/36/1057079736.db2.gz UUQXNRWVLAXRGB-UHFFFAOYSA-N -1 3 375.425 3.974 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)[n-]1 ZINC001324429732 1057132244 /nfs/dbraw/zinc/13/22/44/1057132244.db2.gz HDZIHMNTUNASIU-UHFFFAOYSA-N -1 3 377.372 3.540 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3c[nH]c(C(F)(F)F)c3)cc21 ZINC001324649877 1057189800 /nfs/dbraw/zinc/18/98/00/1057189800.db2.gz UBLRRQIUCTWHNV-UHFFFAOYSA-N -1 3 378.759 3.617 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)oc1C1CC1 ZINC001324666907 1057196596 /nfs/dbraw/zinc/19/65/96/1057196596.db2.gz YNDBHBOUPSMDLK-UHFFFAOYSA-N -1 3 377.400 3.949 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3scc4c3OCCO4)nc(=O)c2c1C ZINC000848816595 1057334721 /nfs/dbraw/zinc/33/47/21/1057334721.db2.gz HTQLIBGFIXBZHW-QMMMGPOBSA-N -1 3 392.458 3.764 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)Cc1c(C)noc1C ZINC001356267619 1057453710 /nfs/dbraw/zinc/45/37/10/1057453710.db2.gz YCNICJIFRFPTKN-UHFFFAOYSA-N -1 3 389.887 3.683 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC001356508942 1057532669 /nfs/dbraw/zinc/53/26/69/1057532669.db2.gz IVDLOMDMEIEOSY-LLVKDONJSA-N -1 3 396.340 3.891 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(OC(F)F)cc3)nc21 ZINC001439997252 1058381009 /nfs/dbraw/zinc/38/10/09/1058381009.db2.gz LGWDNGUWDBSRGC-UHFFFAOYSA-N -1 3 389.358 3.522 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001440410724 1058514161 /nfs/dbraw/zinc/51/41/61/1058514161.db2.gz KALFUTAOCVUBCE-XJKCOSOUSA-N -1 3 395.459 3.547 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001338479891 1058590265 /nfs/dbraw/zinc/59/02/65/1058590265.db2.gz AGKVLVBDGOVNHB-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM CN(CCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1F ZINC001442063732 1058910067 /nfs/dbraw/zinc/91/00/67/1058910067.db2.gz KJJPUMHONYCYLV-UHFFFAOYSA-N -1 3 387.842 3.577 20 0 GHADHM Cc1ccc(Br)c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)[nH]c21 ZINC001442677517 1058992894 /nfs/dbraw/zinc/99/28/94/1058992894.db2.gz MNDDORHGWFPTMJ-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc(Br)c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)[nH]c21 ZINC001442677517 1058992897 /nfs/dbraw/zinc/99/28/97/1058992897.db2.gz MNDDORHGWFPTMJ-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM CCn1nc(C(F)(F)F)c(C(=O)[N-]c2noc3c2CCCC3)c1C(F)F ZINC001339196303 1059004695 /nfs/dbraw/zinc/00/46/95/1059004695.db2.gz OEGMBSASOSPUJO-UHFFFAOYSA-N -1 3 378.301 3.979 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444632116 1059353921 /nfs/dbraw/zinc/35/39/21/1059353921.db2.gz YLIAVTCWPIETHM-IUODEOHRSA-N -1 3 390.505 3.982 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001444933991 1059415081 /nfs/dbraw/zinc/41/50/81/1059415081.db2.gz JJGHJXOAXLEXTA-QGZVFWFLSA-N -1 3 378.513 3.966 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2OCC2CC2)c1 ZINC001445544418 1059560773 /nfs/dbraw/zinc/56/07/73/1059560773.db2.gz NVFOAEVDIPNAFL-UHFFFAOYSA-N -1 3 380.444 3.544 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H](O)c1ccccc1F ZINC001445810911 1059628673 /nfs/dbraw/zinc/62/86/73/1059628673.db2.gz PJVAMQWNNWPXKP-JKSUJKDBSA-N -1 3 382.229 3.536 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H](O)c1ccccc1F ZINC001445810901 1059628792 /nfs/dbraw/zinc/62/87/92/1059628792.db2.gz PJVAMQWNNWPXKP-HOTGVXAUSA-N -1 3 382.229 3.536 20 0 GHADHM O=C(N[C@@H]1COc2ccccc2C1=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001446188659 1059722524 /nfs/dbraw/zinc/72/25/24/1059722524.db2.gz HJDODDPWLWSFHE-HXUWFJFHSA-N -1 3 387.435 3.551 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc2n[nH]cc21 ZINC001447099052 1059926903 /nfs/dbraw/zinc/92/69/03/1059926903.db2.gz PYCJUAZOTQQVMI-UHFFFAOYSA-N -1 3 397.232 3.728 20 0 GHADHM CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(SC)ccc1[O-] ZINC001447571763 1059983613 /nfs/dbraw/zinc/98/36/13/1059983613.db2.gz MJPHNOKJBINSPZ-AWEZNQCLSA-N -1 3 394.537 3.976 20 0 GHADHM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CCO2)cc1 ZINC001447692261 1060000505 /nfs/dbraw/zinc/00/05/05/1060000505.db2.gz WREQAKVJLVNEBM-IBGZPJMESA-N -1 3 396.874 3.958 20 0 GHADHM Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001448620486 1060231020 /nfs/dbraw/zinc/23/10/20/1060231020.db2.gz PULNFLOCMAESCM-UHFFFAOYSA-N -1 3 387.443 3.758 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC001449100388 1060330131 /nfs/dbraw/zinc/33/01/31/1060330131.db2.gz GSCJKWADZZFZMK-OGHNNQOOSA-N -1 3 394.537 3.878 20 0 GHADHM CC(C)[C@H](CO)O[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001450105519 1060530681 /nfs/dbraw/zinc/53/06/81/1060530681.db2.gz YBNYBYXWQPVACK-FQEVSTJZSA-N -1 3 384.451 3.971 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001450226084 1060555540 /nfs/dbraw/zinc/55/55/40/1060555540.db2.gz MGVMPSNJIZVKMW-UHFFFAOYSA-N -1 3 382.194 3.963 20 0 GHADHM COc1c(Br)ccc(F)c1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001450592935 1060627502 /nfs/dbraw/zinc/62/75/02/1060627502.db2.gz BAGWCKXBWKFNQW-UHFFFAOYSA-N -1 3 382.185 3.757 20 0 GHADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001451731894 1060824808 /nfs/dbraw/zinc/82/48/08/1060824808.db2.gz SBAKDTZWUNLKIM-INIZCTEOSA-N -1 3 382.460 3.797 20 0 GHADHM CSc1ccc([O-])c(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c1 ZINC001451887816 1060857894 /nfs/dbraw/zinc/85/78/94/1060857894.db2.gz PGMZFWZJAVZDPY-UHFFFAOYSA-N -1 3 377.535 3.980 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)c1 ZINC001452046859 1060888184 /nfs/dbraw/zinc/88/81/84/1060888184.db2.gz RLPWZBJYLBGEQA-UHFFFAOYSA-N -1 3 392.337 3.765 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)[n-]n1 ZINC001452110151 1060902597 /nfs/dbraw/zinc/90/25/97/1060902597.db2.gz LDAHZOVCXRIYPC-UHFFFAOYSA-N -1 3 384.461 3.670 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n[n-]1 ZINC001452110151 1060902602 /nfs/dbraw/zinc/90/26/02/1060902602.db2.gz LDAHZOVCXRIYPC-UHFFFAOYSA-N -1 3 384.461 3.670 20 0 GHADHM O=C(N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001452452109 1060940945 /nfs/dbraw/zinc/94/09/45/1060940945.db2.gz XSBQTYUIZIRTMT-SFTDATJTSA-N -1 3 397.471 3.625 20 0 GHADHM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001452477848 1060944877 /nfs/dbraw/zinc/94/48/77/1060944877.db2.gz DJQKPPPBVKOQOO-GHTZIAJQSA-N -1 3 399.462 3.541 20 0 GHADHM CCc1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)c([O-])c1 ZINC001452561885 1060962570 /nfs/dbraw/zinc/96/25/70/1060962570.db2.gz PXHQAKVTVCUIAY-FQEVSTJZSA-N -1 3 381.472 3.921 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CC2CCCC2)ccc1F ZINC001452665734 1060981842 /nfs/dbraw/zinc/98/18/42/1060981842.db2.gz NGBMSMHGKRMPMD-QGZVFWFLSA-N -1 3 396.528 3.697 20 0 GHADHM O=C(NC[C@@]1(CO)CCc2ccccc21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001452768073 1061008525 /nfs/dbraw/zinc/00/85/25/1061008525.db2.gz HKQKMXKDXQACNL-XMMPIXPASA-N -1 3 389.451 3.791 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c1 ZINC001346409169 1061550756 /nfs/dbraw/zinc/55/07/56/1061550756.db2.gz MLOKJRATGHBHRO-SJLPKXTDSA-N -1 3 384.476 3.661 20 0 GHADHM O=C(Nc1ccnn1CC1CCC1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001455005609 1061973378 /nfs/dbraw/zinc/97/33/78/1061973378.db2.gz ICVUXHDCISXTOJ-UHFFFAOYSA-N -1 3 378.432 3.621 20 0 GHADHM Cc1cc(Cn2c(CCc3cccc(Cl)c3[O-])nnc2N2CC=CCC2)no1 ZINC001346908187 1061975157 /nfs/dbraw/zinc/97/51/57/1061975157.db2.gz BFJIMJWKISAISA-UHFFFAOYSA-N -1 3 399.882 3.533 20 0 GHADHM O=C(NCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-])NC1CCCCC1 ZINC001545748205 1061981992 /nfs/dbraw/zinc/98/19/92/1061981992.db2.gz WGEXHFBGPVVSNR-UHFFFAOYSA-N -1 3 397.475 3.546 20 0 GHADHM CC(C)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1O ZINC001455163920 1062031295 /nfs/dbraw/zinc/03/12/95/1062031295.db2.gz ZKWPVEBGXYVRSQ-UHFFFAOYSA-N -1 3 382.869 3.793 20 0 GHADHM CCC(CC)CCCN(C)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001347120451 1062135942 /nfs/dbraw/zinc/13/59/42/1062135942.db2.gz PHRVRYKFWSPMBA-UHFFFAOYSA-N -1 3 387.521 3.555 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN[C@H](c2ccc(F)cc2)C1 ZINC001455446613 1062152538 /nfs/dbraw/zinc/15/25/38/1062152538.db2.gz HBDRSXNPLGQXGG-QFIPXVFZSA-N -1 3 390.458 3.909 20 0 GHADHM CC1(c2nsc([N-]C(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)n2)CC1 ZINC001347202656 1062209503 /nfs/dbraw/zinc/20/95/03/1062209503.db2.gz MASWBGLCZBNPHX-UHFFFAOYSA-N -1 3 390.419 3.700 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455666003 1062252740 /nfs/dbraw/zinc/25/27/40/1062252740.db2.gz QOYXPAZTCHKQPJ-UHFFFAOYSA-N -1 3 384.288 3.775 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC001456630588 1062792183 /nfs/dbraw/zinc/79/21/83/1062792183.db2.gz STJRBXMHBIZXRL-GDBMZVCRSA-N -1 3 376.497 3.748 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456803802 1062869158 /nfs/dbraw/zinc/86/91/58/1062869158.db2.gz XLFMEXKMCZIBSY-OAHLLOKOSA-N -1 3 393.443 3.908 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456803802 1062869184 /nfs/dbraw/zinc/86/91/84/1062869184.db2.gz XLFMEXKMCZIBSY-OAHLLOKOSA-N -1 3 393.443 3.908 20 0 GHADHM O=C(NCc1ccccc1SC(F)(F)F)c1nnc2ccccc2c1[O-] ZINC001456958600 1062929862 /nfs/dbraw/zinc/92/98/62/1062929862.db2.gz IYSSBHSVEYLVBI-UHFFFAOYSA-N -1 3 379.363 3.877 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4cccs4)on3)nc21 ZINC001456994531 1062941986 /nfs/dbraw/zinc/94/19/86/1062941986.db2.gz QABFJZGUPQFBHA-UHFFFAOYSA-N -1 3 382.401 3.708 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC001435933405 1063008913 /nfs/dbraw/zinc/00/89/13/1063008913.db2.gz LTCRYINLTPDEPG-ARJAWSKDSA-N -1 3 397.214 3.547 20 0 GHADHM CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC001348531492 1063178347 /nfs/dbraw/zinc/17/83/47/1063178347.db2.gz IKGSOSVBMZCVTQ-UHFFFAOYSA-N -1 3 399.472 3.676 20 0 GHADHM CCOc1cc2c(cc1NC(=O)c1c[n-]c3c(C)cccc3c1=O)O[C@@H](C)C2 ZINC001457576221 1063258486 /nfs/dbraw/zinc/25/84/86/1063258486.db2.gz GKMUOELONYLLLD-ZDUSSCGKSA-N -1 3 378.428 3.811 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)c(=O)c2c1 ZINC001457577881 1063260420 /nfs/dbraw/zinc/26/04/20/1063260420.db2.gz SGOUPHIKVRZKPB-HOTGVXAUSA-N -1 3 391.471 3.702 20 0 GHADHM CON(C(=O)c1c[n-]c2ccc(C)cc2c1=O)[C@@H]1CCCOc2ccccc21 ZINC001457706556 1063319121 /nfs/dbraw/zinc/31/91/21/1063319121.db2.gz XUYLUTWECGLVJM-LJQANCHMSA-N -1 3 378.428 3.754 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1noc2c1CCCCC2 ZINC001436381736 1063417079 /nfs/dbraw/zinc/41/70/79/1063417079.db2.gz YMVQTYSCUPIZDI-UHFFFAOYSA-N -1 3 385.445 3.901 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)c([O-])c1 ZINC001457907338 1063437188 /nfs/dbraw/zinc/43/71/88/1063437188.db2.gz NNDBEDDKAFQHMH-OAHLLOKOSA-N -1 3 378.494 3.614 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001458027180 1063512506 /nfs/dbraw/zinc/51/25/06/1063512506.db2.gz MMAZMZBTCYFOKY-UHFFFAOYSA-N -1 3 380.375 3.692 20 0 GHADHM COc1ccccc1OC[C@H](C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC001545899734 1063552015 /nfs/dbraw/zinc/55/20/15/1063552015.db2.gz XTKGQSRPIPZAJH-GFCCVEGCSA-N -1 3 394.265 3.608 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3cnc(F)c(C)c3)c(=O)c2c1-c1ccccc1 ZINC001349380479 1063686794 /nfs/dbraw/zinc/68/67/94/1063686794.db2.gz NIKDECIXUZXAEL-UHFFFAOYSA-N -1 3 394.431 3.660 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438033656 1063970508 /nfs/dbraw/zinc/97/05/08/1063970508.db2.gz ORCDZEJRBHPRIE-RYUDHWBXSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438033656 1063970513 /nfs/dbraw/zinc/97/05/13/1063970513.db2.gz ORCDZEJRBHPRIE-RYUDHWBXSA-N -1 3 381.885 3.661 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cn(C(C)C)nc1C ZINC001350196877 1064017241 /nfs/dbraw/zinc/01/72/41/1064017241.db2.gz ORFYHZLFZIDMPN-UHFFFAOYSA-N -1 3 382.420 3.856 20 0 GHADHM CCCCCC[C@H](C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001438525789 1064064004 /nfs/dbraw/zinc/06/40/04/1064064004.db2.gz CZBAKUJRNKEWIV-LBPRGKRZSA-N -1 3 375.560 3.765 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)s1 ZINC001438528807 1064064491 /nfs/dbraw/zinc/06/44/91/1064064491.db2.gz GSVJODXCRFABRC-MGPQQGTHSA-N -1 3 399.582 3.765 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459709508 1064180913 /nfs/dbraw/zinc/18/09/13/1064180913.db2.gz KTCZIPLFAWDQHJ-UHFFFAOYSA-N -1 3 395.286 3.536 20 0 GHADHM CC1CCC2(CC1)OC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)O2 ZINC001463419793 1064332545 /nfs/dbraw/zinc/33/25/45/1064332545.db2.gz DKQUDKZUWKVXPT-RYCVTPFZSA-N -1 3 394.320 3.594 20 0 GHADHM CC1CCC2(CC1)OC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)O2 ZINC001463419798 1064332989 /nfs/dbraw/zinc/33/29/89/1064332989.db2.gz DKQUDKZUWKVXPT-ULKWEWGCSA-N -1 3 394.320 3.594 20 0 GHADHM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1)C1CCCCC1 ZINC001463510491 1064419933 /nfs/dbraw/zinc/41/99/33/1064419933.db2.gz DXWALNXGIMOCSI-DEOSSOPVSA-N -1 3 384.567 3.719 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1)C1CCCCC1 ZINC001463510499 1064419950 /nfs/dbraw/zinc/41/99/50/1064419950.db2.gz DXWALNXGIMOCSI-XMMPIXPASA-N -1 3 384.567 3.719 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2cc(C(=O)OC)co2)sc2c1CC[C@@H](C)C2 ZINC001351536825 1064505416 /nfs/dbraw/zinc/50/54/16/1064505416.db2.gz JSUKZDMDMOWSPO-SNVBAGLBSA-N -1 3 391.445 3.682 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@](C)(Cc2ccc(Cl)cc2)C(C)C)s1 ZINC001463763931 1064595655 /nfs/dbraw/zinc/59/56/55/1064595655.db2.gz KCUCERONROHOAR-INIZCTEOSA-N -1 3 388.942 3.741 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2OCCC(C)(C)C)c(F)c1F ZINC001463816447 1064642624 /nfs/dbraw/zinc/64/26/24/1064642624.db2.gz ABUVUSYOWSGJHA-UHFFFAOYSA-N -1 3 398.475 3.962 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)c(-c2ccccc2)s1 ZINC001463854657 1064671729 /nfs/dbraw/zinc/67/17/29/1064671729.db2.gz NUMFKZKMSVTPAP-LLVKDONJSA-N -1 3 377.466 3.692 20 0 GHADHM CCCc1ccccc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001463858661 1064675043 /nfs/dbraw/zinc/67/50/43/1064675043.db2.gz WIPHAOPIGOIIFM-UHFFFAOYSA-N -1 3 376.460 3.664 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC001463988646 1064756607 /nfs/dbraw/zinc/75/66/07/1064756607.db2.gz IGGCAUFVCSKITQ-UHFFFAOYSA-N -1 3 394.718 3.722 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(OC)c1 ZINC001464032242 1064779093 /nfs/dbraw/zinc/77/90/93/1064779093.db2.gz DDEPUPPPXQCMTP-OAHLLOKOSA-N -1 3 390.288 3.668 20 0 GHADHM O=C(Nc1ccc(Oc2cnccn2)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001464228650 1064917084 /nfs/dbraw/zinc/91/70/84/1064917084.db2.gz HAMXYJDLVMWMDC-UHFFFAOYSA-N -1 3 394.337 3.641 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001464239998 1064922392 /nfs/dbraw/zinc/92/23/92/1064922392.db2.gz GQNPGAWYRDHPHP-RDJZCZTQSA-N -1 3 391.464 3.775 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC001464272404 1064936152 /nfs/dbraw/zinc/93/61/52/1064936152.db2.gz HPKJKHSQILMXAR-UHFFFAOYSA-N -1 3 377.440 3.952 20 0 GHADHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc([O-])cc(Br)c1 ZINC001464361365 1064971260 /nfs/dbraw/zinc/97/12/60/1064971260.db2.gz KPFNDOBWNOAUOO-UHFFFAOYSA-N -1 3 389.249 3.706 20 0 GHADHM CC(C)CNC(=O)c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001300031708 1065068266 /nfs/dbraw/zinc/06/82/66/1065068266.db2.gz CNWVLCDXGJWUQC-UHFFFAOYSA-N -1 3 391.265 3.793 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464757688 1065194933 /nfs/dbraw/zinc/19/49/33/1065194933.db2.gz WJFZHSNMTBTHQD-UHFFFAOYSA-N -1 3 376.334 3.985 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)cn2)c1 ZINC001464797636 1065217464 /nfs/dbraw/zinc/21/74/64/1065217464.db2.gz BIBDCTRDOZMYKH-UHFFFAOYSA-N -1 3 389.864 3.709 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2cncc(N3CCCC3)n2)s1)c1ccccc1 ZINC001352733126 1065263416 /nfs/dbraw/zinc/26/34/16/1065263416.db2.gz DUDKCDCMJGWFIU-UHFFFAOYSA-N -1 3 394.504 3.507 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1cc(F)cc2n[n-]nc21 ZINC001464982615 1065305501 /nfs/dbraw/zinc/30/55/01/1065305501.db2.gz JPITVSIYDJCOBH-UHFFFAOYSA-N -1 3 380.354 3.958 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c([O-])cccc2OC)CC1 ZINC001465104154 1065394194 /nfs/dbraw/zinc/39/41/94/1065394194.db2.gz KRGBSBTVCRZHQD-KRWDZBQOSA-N -1 3 390.430 3.588 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC001465190339 1065450388 /nfs/dbraw/zinc/45/03/88/1065450388.db2.gz RKTQKRGXCFECLS-UHFFFAOYSA-N -1 3 389.864 3.790 20 0 GHADHM CCC[C@@H]1SCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001465209929 1065463666 /nfs/dbraw/zinc/46/36/66/1065463666.db2.gz IVXPLVRBJWDDAN-AWEZNQCLSA-N -1 3 381.295 3.606 20 0 GHADHM CCc1ccc([C@H]2COCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)o1 ZINC001465281874 1065522772 /nfs/dbraw/zinc/52/27/72/1065522772.db2.gz IZIGWAAAOQZUIH-MRXNPFEDSA-N -1 3 386.835 3.551 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001465343744 1065555588 /nfs/dbraw/zinc/55/55/88/1065555588.db2.gz IOKLXONAVDEAKP-JTSKRJEESA-N -1 3 382.504 3.535 20 0 GHADHM CCCc1sc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1Br ZINC001300194680 1065633311 /nfs/dbraw/zinc/63/33/11/1065633311.db2.gz MOOKKWNFFXWKLQ-SECBINFHSA-N -1 3 384.299 3.522 20 0 GHADHM CC(C)(Cc1cccc(Br)c1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001465531238 1065693823 /nfs/dbraw/zinc/69/38/23/1065693823.db2.gz QDFQSTKBAPBYGD-UHFFFAOYSA-N -1 3 390.281 3.573 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@@H]1C(C)(C)C ZINC001465554925 1065710952 /nfs/dbraw/zinc/71/09/52/1065710952.db2.gz ANKMAVXKHMOFND-OAHLLOKOSA-N -1 3 395.459 3.643 20 0 GHADHM O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001465565935 1065718643 /nfs/dbraw/zinc/71/86/43/1065718643.db2.gz GKMXWJNVVRTKIV-UHFFFAOYSA-N -1 3 380.231 3.871 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Br)c(F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001465636398 1065760678 /nfs/dbraw/zinc/76/06/78/1065760678.db2.gz DZWCTJBFBRKRRB-RXMQYKEDSA-N -1 3 396.142 3.608 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@](C)(O)c1ccccc1 ZINC001300227509 1065763697 /nfs/dbraw/zinc/76/36/97/1065763697.db2.gz JMNGCGKVXAKDHV-BLVKFPJESA-N -1 3 391.493 3.516 20 0 GHADHM COc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)[n-]1 ZINC001466102089 1065983500 /nfs/dbraw/zinc/98/35/00/1065983500.db2.gz ZJUXCHJLMAIVTC-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM COc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n[n-]1 ZINC001466102089 1065983502 /nfs/dbraw/zinc/98/35/02/1065983502.db2.gz ZJUXCHJLMAIVTC-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM COc1n[n-]c(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1 ZINC001466102089 1065983504 /nfs/dbraw/zinc/98/35/04/1065983504.db2.gz ZJUXCHJLMAIVTC-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM CC(C)n1nc(-c2ccco2)cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001466360121 1066113320 /nfs/dbraw/zinc/11/33/20/1066113320.db2.gz IDUBRVZMIPHLFD-SECBINFHSA-N -1 3 397.361 3.744 20 0 GHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001353701698 1066151311 /nfs/dbraw/zinc/15/13/11/1066151311.db2.gz VZFXXLXXPWAETE-NXEZZACHSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1cc(Cl)cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1O ZINC001466545406 1066185982 /nfs/dbraw/zinc/18/59/82/1066185982.db2.gz WTZNXUMWTNMBHA-UHFFFAOYSA-N -1 3 389.260 3.631 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001466629194 1066221924 /nfs/dbraw/zinc/22/19/24/1066221924.db2.gz AERPZZNCNGNALR-DIFFPNOSSA-N -1 3 397.233 3.996 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC001466630923 1066223667 /nfs/dbraw/zinc/22/36/67/1066223667.db2.gz DPBDTPJNSMYFNF-UHFFFAOYSA-N -1 3 390.370 3.580 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)c1ccccc1C(F)(F)F ZINC001466633289 1066224957 /nfs/dbraw/zinc/22/49/57/1066224957.db2.gz VYRUSAWNGHGRJO-CYBMUJFWSA-N -1 3 390.155 3.846 20 0 GHADHM Cc1ccccc1C[C@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001466911163 1066383987 /nfs/dbraw/zinc/38/39/87/1066383987.db2.gz LIOYKMONLWAEBO-GOSISDBHSA-N -1 3 377.440 3.826 20 0 GHADHM Cc1ccc(-n2cc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)cn2)c(C)c1 ZINC001466949219 1066408144 /nfs/dbraw/zinc/40/81/44/1066408144.db2.gz KROODNMYRVBEDV-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H]2CCSc3ccccc32)ccc1F ZINC001357608209 1067190678 /nfs/dbraw/zinc/19/06/78/1067190678.db2.gz CYUMBGCWKCKDFZ-HNNXBMFYSA-N -1 3 381.450 3.591 20 0 GHADHM CO[C@H]1CCOc2c(NC(=O)c3cc([O-])cc(Br)c3)cccc21 ZINC001467661744 1067405537 /nfs/dbraw/zinc/40/55/37/1067405537.db2.gz QBVFPZSCHRJHJI-HNNXBMFYSA-N -1 3 378.222 3.877 20 0 GHADHM CCc1cccc(C(=O)N2CCOc3c(Br)cccc3C2)c1[O-] ZINC001467700735 1067428123 /nfs/dbraw/zinc/42/81/23/1067428123.db2.gz RSYLNVRMFJLUDH-UHFFFAOYSA-N -1 3 376.250 3.752 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cc(F)c(F)cc2Br)cc1[O-] ZINC001467830232 1067486056 /nfs/dbraw/zinc/48/60/56/1067486056.db2.gz BKHXDZNESFTGMO-UHFFFAOYSA-N -1 3 384.176 3.566 20 0 GHADHM C[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001467873880 1067510433 /nfs/dbraw/zinc/51/04/33/1067510433.db2.gz NXIDIJJMWOXAOL-LSDHHAIUSA-N -1 3 381.476 3.838 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)c1[O-] ZINC001468602678 1067787118 /nfs/dbraw/zinc/78/71/18/1067787118.db2.gz WKAXAXQNOAOOAO-IAGOWNOFSA-N -1 3 388.464 3.711 20 0 GHADHM COc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc(Br)c1OC ZINC001468602356 1067787154 /nfs/dbraw/zinc/78/71/54/1067787154.db2.gz XEVYXTQAYBWXGO-UHFFFAOYSA-N -1 3 394.221 3.627 20 0 GHADHM CCc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c1[O-] ZINC000849538154 1067901092 /nfs/dbraw/zinc/90/10/92/1067901092.db2.gz JFHMVQOHMRTIIH-OAQYLSRUSA-N -1 3 397.519 3.801 20 0 GHADHM CCC[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCC1 ZINC001468901503 1067923240 /nfs/dbraw/zinc/92/32/40/1067923240.db2.gz ULEUREDUOOCLLR-OAHLLOKOSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ncn4ccc(C)cc34)nc(=O)c2c1C ZINC000849902582 1067989736 /nfs/dbraw/zinc/98/97/36/1067989736.db2.gz ABKMHHMSLXYKGR-NSHDSACASA-N -1 3 382.445 3.888 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1C(=O)OC(C)(C)C ZINC001469398519 1068143030 /nfs/dbraw/zinc/14/30/30/1068143030.db2.gz UBSKYOSXGBJLRD-IAQYHMDHSA-N -1 3 398.297 3.595 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Oc3ccccc3)cn2)c1 ZINC001469509861 1068198217 /nfs/dbraw/zinc/19/82/17/1068198217.db2.gz SCFZAAYSVLQUEO-UHFFFAOYSA-N -1 3 389.411 3.634 20 0 GHADHM CC(C)(C)OC(=O)CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCC1 ZINC001469657726 1068289938 /nfs/dbraw/zinc/28/99/38/1068289938.db2.gz VKJSBMJDANUVEW-UHFFFAOYSA-N -1 3 390.867 3.518 20 0 GHADHM CC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478219506 1078770830 /nfs/dbraw/zinc/77/08/30/1078770830.db2.gz ASIJVQYRIBCDQF-FMKPAKJESA-N -1 3 397.441 3.947 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC001460286489 1068907478 /nfs/dbraw/zinc/90/74/78/1068907478.db2.gz ZWMPWQGMDBOCHY-HNNXBMFYSA-N -1 3 383.341 3.834 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460783604 1069176013 /nfs/dbraw/zinc/17/60/13/1069176013.db2.gz GRAKPKILWUSXSY-QGZVFWFLSA-N -1 3 385.468 3.902 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460783604 1069176022 /nfs/dbraw/zinc/17/60/22/1069176022.db2.gz GRAKPKILWUSXSY-QGZVFWFLSA-N -1 3 385.468 3.902 20 0 GHADHM C[C@@H]1CC(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001470795487 1072743721 /nfs/dbraw/zinc/74/37/21/1072743721.db2.gz QJTDQEXOWNJQKH-UWVGGRQHSA-N -1 3 378.274 3.640 20 0 GHADHM C[C@@H]1CC(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001470795487 1072743728 /nfs/dbraw/zinc/74/37/28/1072743728.db2.gz QJTDQEXOWNJQKH-UWVGGRQHSA-N -1 3 378.274 3.640 20 0 GHADHM C[C@@H](CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C1CCCCC1 ZINC001471013318 1072884145 /nfs/dbraw/zinc/88/41/45/1072884145.db2.gz LQONSNDBBDXGCB-ZDUSSCGKSA-N -1 3 386.945 4.000 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC[C@H]3CC=CCC3)cs2)c1 ZINC001471147881 1072941927 /nfs/dbraw/zinc/94/19/27/1072941927.db2.gz KSBDIBVGGVBONP-HNNXBMFYSA-N -1 3 399.516 3.815 20 0 GHADHM CCC(C)(C)[C@H](C)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001478963747 1079041699 /nfs/dbraw/zinc/04/16/99/1079041699.db2.gz ZPQIAXPSKUASMQ-JSGCOSHPSA-N -1 3 385.430 3.631 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(F)cc2)c1 ZINC001471645135 1073167850 /nfs/dbraw/zinc/16/78/50/1073167850.db2.gz JBQRKYQMUOTFDC-LJQANCHMSA-N -1 3 383.448 3.764 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CCc3ccc(C(C)(C)C)cc3)C2)n1 ZINC001471853921 1073234376 /nfs/dbraw/zinc/23/43/76/1073234376.db2.gz BWBANZRWNVFVCZ-IBGZPJMESA-N -1 3 396.535 3.506 20 0 GHADHM C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109663 1073336632 /nfs/dbraw/zinc/33/66/32/1073336632.db2.gz TWJSXVJMFPDPHX-DTWKUNHWSA-N -1 3 388.777 3.563 20 0 GHADHM COC(=O)c1cc(NC(=O)c2sc3ncccc3c2Cl)c([O-])c(OC)c1 ZINC001472229518 1073376362 /nfs/dbraw/zinc/37/63/62/1073376362.db2.gz FRIMFUVKIIHXKO-UHFFFAOYSA-N -1 3 392.820 3.703 20 0 GHADHM CC1(C)C(C)(C)C1(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001472248222 1073383216 /nfs/dbraw/zinc/38/32/16/1073383216.db2.gz JUSKWJCYFHJMQQ-UHFFFAOYSA-N -1 3 393.484 3.509 20 0 GHADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288308 1073401105 /nfs/dbraw/zinc/40/11/05/1073401105.db2.gz HVCNENYJJSJAKC-SHTZXODSSA-N -1 3 396.491 3.623 20 0 GHADHM CCc1cccc(C(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001472395648 1073465189 /nfs/dbraw/zinc/46/51/89/1073465189.db2.gz VODBZFSZSLOXPM-UHFFFAOYSA-N -1 3 376.497 3.674 20 0 GHADHM CC(C)c1ccc(CC2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1 ZINC001472541685 1073540894 /nfs/dbraw/zinc/54/08/94/1073540894.db2.gz YMGXJJBWWKZGOM-UHFFFAOYSA-N -1 3 390.483 3.789 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001472607202 1073571989 /nfs/dbraw/zinc/57/19/89/1073571989.db2.gz DFQYSKXLIJHNCS-CQSZACIVSA-N -1 3 380.485 3.556 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1[O-] ZINC001546193317 1073597259 /nfs/dbraw/zinc/59/72/59/1073597259.db2.gz LLSKTWJFHUQLHB-UHFFFAOYSA-N -1 3 391.305 3.916 20 0 GHADHM CC1(C)CC(=O)c2cnc(SCc3nnc(-c4ccccc4[O-])o3)nc2C1 ZINC001473058028 1073765461 /nfs/dbraw/zinc/76/54/61/1073765461.db2.gz OHNFCENCDMXXFK-UHFFFAOYSA-N -1 3 382.445 3.680 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC001473668266 1074074994 /nfs/dbraw/zinc/07/49/94/1074074994.db2.gz ZJGDAEHWNRQOID-HNNXBMFYSA-N -1 3 394.338 3.874 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc([O-])c(F)c2)C[C@H]1C(F)(F)F ZINC001474700362 1074523798 /nfs/dbraw/zinc/52/37/98/1074523798.db2.gz VMRFGZPQWCZGSZ-QWHCGFSZSA-N -1 3 392.393 3.666 20 0 GHADHM [O-]c1cc(Br)cnc1CN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001474717797 1074531744 /nfs/dbraw/zinc/53/17/44/1074531744.db2.gz SLWOAVZUZLHRQW-ROUUACIJSA-N -1 3 391.309 3.508 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)cc1F ZINC001474777288 1074556572 /nfs/dbraw/zinc/55/65/72/1074556572.db2.gz MTYBGZIKMXURMF-UHFFFAOYSA-N -1 3 379.350 3.813 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1cc2nc(Cl)ncc2s1 ZINC001474815299 1074576171 /nfs/dbraw/zinc/57/61/71/1074576171.db2.gz RQPLXAOJUIZQHJ-OAHLLOKOSA-N -1 3 379.894 3.774 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)C[C@H]3CCCC(F)(F)C3)CCCCCC2)no1 ZINC001474828567 1074582117 /nfs/dbraw/zinc/58/21/17/1074582117.db2.gz MAGOYDXJCLGRGC-AWEZNQCLSA-N -1 3 391.484 3.672 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC001474893374 1074616862 /nfs/dbraw/zinc/61/68/62/1074616862.db2.gz AJKKSQMIJASRME-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(Cl)cc2)nc1Cl ZINC001474918479 1074631760 /nfs/dbraw/zinc/63/17/60/1074631760.db2.gz CEKBYWWDICVNJB-UHFFFAOYSA-N -1 3 396.299 3.872 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1ccccc1Cl ZINC001475025658 1074691876 /nfs/dbraw/zinc/69/18/76/1074691876.db2.gz KOXMWJLCQTZYBD-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccc(F)cc1 ZINC001475055687 1074713463 /nfs/dbraw/zinc/71/34/63/1074713463.db2.gz SJJFOAIOHHVWOP-UHFFFAOYSA-N -1 3 391.295 3.543 20 0 GHADHM CCCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC001475146082 1074756360 /nfs/dbraw/zinc/75/63/60/1074756360.db2.gz JDXWOGAYLFJRQL-CQSZACIVSA-N -1 3 395.443 3.899 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c(-c2ccccc2)s1 ZINC001475192081 1074778411 /nfs/dbraw/zinc/77/84/11/1074778411.db2.gz FISMZTUPLVNFJR-IBGZPJMESA-N -1 3 394.562 3.728 20 0 GHADHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC001475221689 1074792384 /nfs/dbraw/zinc/79/23/84/1074792384.db2.gz HMCNPKFTRSXBCY-OAHLLOKOSA-N -1 3 382.309 3.640 20 0 GHADHM CSCC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC001475329484 1074836200 /nfs/dbraw/zinc/83/62/00/1074836200.db2.gz MILAKIZVSGWAMR-UHFFFAOYSA-N -1 3 396.347 3.788 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cc(F)cc32)cc1F ZINC001475340737 1074839874 /nfs/dbraw/zinc/83/98/74/1074839874.db2.gz ADQHXNSAPKHWCK-OAHLLOKOSA-N -1 3 389.370 3.608 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ncco1)c1cccc(Cl)c1F ZINC001475436110 1074874453 /nfs/dbraw/zinc/87/44/53/1074874453.db2.gz QAWQJQQOGVQYOB-AWEZNQCLSA-N -1 3 380.828 3.729 20 0 GHADHM CC[C@H](OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC001475463221 1074883444 /nfs/dbraw/zinc/88/34/44/1074883444.db2.gz PFTUIXIEYDINPA-HNNXBMFYSA-N -1 3 389.304 3.835 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1F ZINC001475471721 1074887115 /nfs/dbraw/zinc/88/71/15/1074887115.db2.gz BJIIDEHNLYTCFW-CQSZACIVSA-N -1 3 376.375 3.915 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CCc2ccccc2)c1Cl ZINC001475693669 1075000323 /nfs/dbraw/zinc/00/03/23/1075000323.db2.gz MQAYSMIDVSETQW-CQSZACIVSA-N -1 3 388.316 3.574 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC001475768503 1075018013 /nfs/dbraw/zinc/01/80/13/1075018013.db2.gz BUBVTUADPDQBSU-VIFPVBQESA-N -1 3 391.333 3.828 20 0 GHADHM CC(C)c1cnc(S[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1C(C)C ZINC000736191128 598825040 /nfs/dbraw/zinc/82/50/40/598825040.db2.gz IFKKAFHUILNFJU-CYBMUJFWSA-N -1 3 399.524 3.887 20 0 GHADHM CC(C)c1cnc(S[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1C(C)C ZINC000736191128 598825042 /nfs/dbraw/zinc/82/50/42/598825042.db2.gz IFKKAFHUILNFJU-CYBMUJFWSA-N -1 3 399.524 3.887 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccccc1C(F)(F)F ZINC000737523023 598827785 /nfs/dbraw/zinc/82/77/85/598827785.db2.gz GBOHGOKUEAJAEY-UHFFFAOYSA-N -1 3 385.353 3.501 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccccc1C(F)(F)F ZINC000737523023 598827786 /nfs/dbraw/zinc/82/77/86/598827786.db2.gz GBOHGOKUEAJAEY-UHFFFAOYSA-N -1 3 385.353 3.501 20 0 GHADHM CCCCCCOCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736447108 598833349 /nfs/dbraw/zinc/83/33/49/598833349.db2.gz OBEFDUIQOXUKML-UHFFFAOYSA-N -1 3 399.520 3.808 20 0 GHADHM CC1CCN(c2cccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736277596 598835525 /nfs/dbraw/zinc/83/55/25/598835525.db2.gz AGUJHFPWENXDBF-UHFFFAOYSA-N -1 3 390.491 3.674 20 0 GHADHM CC1CCN(c2cccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736277596 598835527 /nfs/dbraw/zinc/83/55/27/598835527.db2.gz AGUJHFPWENXDBF-UHFFFAOYSA-N -1 3 390.491 3.674 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CCC2CCCC2)c1C ZINC000737504095 598840834 /nfs/dbraw/zinc/84/08/34/598840834.db2.gz NZIUAIJYVWKUET-UHFFFAOYSA-N -1 3 379.468 3.578 20 0 GHADHM CCc1csc([C@H]2CCCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)C2)n1 ZINC000736701406 598850918 /nfs/dbraw/zinc/85/09/18/598850918.db2.gz BRJZLPUHEJLJJY-AWEZNQCLSA-N -1 3 397.508 3.606 20 0 GHADHM CCc1csc([C@H]2CCCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)C2)n1 ZINC000736701406 598850920 /nfs/dbraw/zinc/85/09/20/598850920.db2.gz BRJZLPUHEJLJJY-AWEZNQCLSA-N -1 3 397.508 3.606 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000737293467 598851704 /nfs/dbraw/zinc/85/17/04/598851704.db2.gz DISVHUVKKMFXRK-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000737293467 598851706 /nfs/dbraw/zinc/85/17/06/598851706.db2.gz DISVHUVKKMFXRK-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735633177 598856630 /nfs/dbraw/zinc/85/66/30/598856630.db2.gz NMMWEHSHUQMPHM-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735633177 598856631 /nfs/dbraw/zinc/85/66/31/598856631.db2.gz NMMWEHSHUQMPHM-UHFFFAOYSA-N -1 3 392.891 3.768 20 0 GHADHM Cc1noc(C)c1[C@@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000737275440 598870081 /nfs/dbraw/zinc/87/00/81/598870081.db2.gz VJLGOCJRPHSAMI-LLVKDONJSA-N -1 3 388.435 3.754 20 0 GHADHM Cc1noc(C)c1[C@@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000737275440 598870082 /nfs/dbraw/zinc/87/00/82/598870082.db2.gz VJLGOCJRPHSAMI-LLVKDONJSA-N -1 3 388.435 3.754 20 0 GHADHM COC(=O)[C@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897458 598878919 /nfs/dbraw/zinc/87/89/19/598878919.db2.gz MRXDAHNGJLRCPS-HXUWFJFHSA-N -1 3 385.427 3.860 20 0 GHADHM COC(=O)[C@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897458 598878920 /nfs/dbraw/zinc/87/89/20/598878920.db2.gz MRXDAHNGJLRCPS-HXUWFJFHSA-N -1 3 385.427 3.860 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(Cl)c1Cl ZINC000736040589 598881371 /nfs/dbraw/zinc/88/13/71/598881371.db2.gz QNNRDYLMTLTWJY-JTQLQIEISA-N -1 3 393.230 3.798 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(Cl)c1Cl ZINC000736040589 598881372 /nfs/dbraw/zinc/88/13/72/598881372.db2.gz QNNRDYLMTLTWJY-JTQLQIEISA-N -1 3 393.230 3.798 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)Nc1ccccc1 ZINC000738111728 598889380 /nfs/dbraw/zinc/88/93/80/598889380.db2.gz JKPRGSVVIJZVMA-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2nccc3ccccc32)no1 ZINC000736188084 598890065 /nfs/dbraw/zinc/89/00/65/598890065.db2.gz LBVUUQUMGHAXSN-GFCCVEGCSA-N -1 3 385.387 3.605 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2nccc3ccccc32)no1 ZINC000736188084 598890066 /nfs/dbraw/zinc/89/00/66/598890066.db2.gz LBVUUQUMGHAXSN-GFCCVEGCSA-N -1 3 385.387 3.605 20 0 GHADHM CC[C@H]1CCCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736401008 598890505 /nfs/dbraw/zinc/89/05/05/598890505.db2.gz FVJVSLQVDHSEJR-HNNXBMFYSA-N -1 3 382.493 3.679 20 0 GHADHM Cc1nccn1CCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737497964 598902277 /nfs/dbraw/zinc/90/22/77/598902277.db2.gz BORFEWLCXXUQPS-UHFFFAOYSA-N -1 3 377.477 3.616 20 0 GHADHM C[C@H]1CCCC[C@H]1CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736262118 598907582 /nfs/dbraw/zinc/90/75/82/598907582.db2.gz MJYKCUOPYLVQPU-IRXDYDNUSA-N -1 3 385.512 3.748 20 0 GHADHM C[C@H]1CCCC[C@H]1CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736262118 598907584 /nfs/dbraw/zinc/90/75/84/598907584.db2.gz MJYKCUOPYLVQPU-IRXDYDNUSA-N -1 3 385.512 3.748 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737023148 598911397 /nfs/dbraw/zinc/91/13/97/598911397.db2.gz CGONNXKZRYWBCS-IAGOWNOFSA-N -1 3 378.432 3.708 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737023148 598911398 /nfs/dbraw/zinc/91/13/98/598911398.db2.gz CGONNXKZRYWBCS-IAGOWNOFSA-N -1 3 378.432 3.708 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737191038 598911763 /nfs/dbraw/zinc/91/17/63/598911763.db2.gz PQVUOLGOACRRFQ-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737191038 598911764 /nfs/dbraw/zinc/91/17/64/598911764.db2.gz PQVUOLGOACRRFQ-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CCCN(CC(C)C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736468543 598926335 /nfs/dbraw/zinc/92/63/35/598926335.db2.gz DQLGUUQRVISXSN-UHFFFAOYSA-N -1 3 393.491 3.954 20 0 GHADHM CCCN(CC(C)C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736468543 598926337 /nfs/dbraw/zinc/92/63/37/598926337.db2.gz DQLGUUQRVISXSN-UHFFFAOYSA-N -1 3 393.491 3.954 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737427806 598926475 /nfs/dbraw/zinc/92/64/75/598926475.db2.gz FLJIBQJACUHPAY-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737427806 598926476 /nfs/dbraw/zinc/92/64/76/598926476.db2.gz FLJIBQJACUHPAY-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM CCCc1ccc(S(=O)(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736497926 598969697 /nfs/dbraw/zinc/96/96/97/598969697.db2.gz VLNSKVWJPKMEPU-HNNXBMFYSA-N -1 3 399.520 3.591 20 0 GHADHM CCCc1ccc(S(=O)(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736497926 598969699 /nfs/dbraw/zinc/96/96/99/598969699.db2.gz VLNSKVWJPKMEPU-HNNXBMFYSA-N -1 3 399.520 3.591 20 0 GHADHM Clc1cc(NCc2ccon2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737563012 598979768 /nfs/dbraw/zinc/97/97/68/598979768.db2.gz CHOFCIONLJCUQB-UHFFFAOYSA-N -1 3 382.811 3.699 20 0 GHADHM Clc1cc(NCc2ccon2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737563012 598979770 /nfs/dbraw/zinc/97/97/70/598979770.db2.gz CHOFCIONLJCUQB-UHFFFAOYSA-N -1 3 382.811 3.699 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736329826 598997022 /nfs/dbraw/zinc/99/70/22/598997022.db2.gz KUBMLURNZPZYFT-HUUCEWRRSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736329826 598997023 /nfs/dbraw/zinc/99/70/23/598997023.db2.gz KUBMLURNZPZYFT-HUUCEWRRSA-N -1 3 379.464 3.610 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)CCC2CC2)cc1 ZINC000737032871 599000365 /nfs/dbraw/zinc/00/03/65/599000365.db2.gz QSPHWIHZSZFLSP-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)CCC2CC2)cc1 ZINC000737032871 599000367 /nfs/dbraw/zinc/00/03/67/599000367.db2.gz QSPHWIHZSZFLSP-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM O=C(CSCCCc1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737931240 599010062 /nfs/dbraw/zinc/01/00/62/599010062.db2.gz GCRONVJJKSSYNH-UHFFFAOYSA-N -1 3 387.896 3.825 20 0 GHADHM O=C(CSCCCc1ccc(Cl)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737931240 599010063 /nfs/dbraw/zinc/01/00/63/599010063.db2.gz GCRONVJJKSSYNH-UHFFFAOYSA-N -1 3 387.896 3.825 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735684596 599033918 /nfs/dbraw/zinc/03/39/18/599033918.db2.gz PKWMEKCPMAJXNI-UHFFFAOYSA-N -1 3 379.489 3.855 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735684596 599033919 /nfs/dbraw/zinc/03/39/19/599033919.db2.gz PKWMEKCPMAJXNI-UHFFFAOYSA-N -1 3 379.489 3.855 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2coc(-c3cccs3)n2)n1 ZINC000737634978 599042248 /nfs/dbraw/zinc/04/22/48/599042248.db2.gz CFPQFKXBOGSUCV-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2coc(-c3cccs3)n2)n1 ZINC000737634978 599042251 /nfs/dbraw/zinc/04/22/51/599042251.db2.gz CFPQFKXBOGSUCV-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM COc1ccc(F)cc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737100272 599046364 /nfs/dbraw/zinc/04/63/64/599046364.db2.gz VFQAKOHBDHOQIQ-QMMMGPOBSA-N -1 3 382.321 3.601 20 0 GHADHM COc1ccc(F)cc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737100272 599046367 /nfs/dbraw/zinc/04/63/67/599046367.db2.gz VFQAKOHBDHOQIQ-QMMMGPOBSA-N -1 3 382.321 3.601 20 0 GHADHM CCOc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736655034 599048398 /nfs/dbraw/zinc/04/83/98/599048398.db2.gz POOHYDBXSCPRDX-JTQLQIEISA-N -1 3 378.358 3.852 20 0 GHADHM CCOc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736655034 599048401 /nfs/dbraw/zinc/04/84/01/599048401.db2.gz POOHYDBXSCPRDX-JTQLQIEISA-N -1 3 378.358 3.852 20 0 GHADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820777011 599050902 /nfs/dbraw/zinc/05/09/02/599050902.db2.gz OVZQRRJZCWAZLQ-GXTWGEPZSA-N -1 3 388.397 3.911 20 0 GHADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820777011 599050905 /nfs/dbraw/zinc/05/09/05/599050905.db2.gz OVZQRRJZCWAZLQ-GXTWGEPZSA-N -1 3 388.397 3.911 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000821589449 599052943 /nfs/dbraw/zinc/05/29/43/599052943.db2.gz NVCNFDPUTZQXPW-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM CN(C)c1ccc(N2CCC(Nc3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000821589449 599052945 /nfs/dbraw/zinc/05/29/45/599052945.db2.gz NVCNFDPUTZQXPW-UHFFFAOYSA-N -1 3 397.914 3.667 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)s1 ZINC000736678274 599070773 /nfs/dbraw/zinc/07/07/73/599070773.db2.gz BDUMOYORGHASAV-GHMZBOCLSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)s1 ZINC000736678274 599070776 /nfs/dbraw/zinc/07/07/76/599070776.db2.gz BDUMOYORGHASAV-GHMZBOCLSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cc1 ZINC000736683274 599071509 /nfs/dbraw/zinc/07/15/09/599071509.db2.gz PBYLMOVUGHKQFO-UHFFFAOYSA-N -1 3 387.443 3.798 20 0 GHADHM CCc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)cc1 ZINC000736683274 599071513 /nfs/dbraw/zinc/07/15/13/599071513.db2.gz PBYLMOVUGHKQFO-UHFFFAOYSA-N -1 3 387.443 3.798 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCCC1 ZINC000736121937 599079318 /nfs/dbraw/zinc/07/93/18/599079318.db2.gz GIRSIPWFDMCHLG-CQSZACIVSA-N -1 3 392.463 3.753 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCCC1 ZINC000736121937 599079321 /nfs/dbraw/zinc/07/93/21/599079321.db2.gz GIRSIPWFDMCHLG-CQSZACIVSA-N -1 3 392.463 3.753 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736425556 599084296 /nfs/dbraw/zinc/08/42/96/599084296.db2.gz IGVBGAFTYIIQER-HXUWFJFHSA-N -1 3 377.492 3.717 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736425556 599084299 /nfs/dbraw/zinc/08/42/99/599084299.db2.gz IGVBGAFTYIIQER-HXUWFJFHSA-N -1 3 377.492 3.717 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000737409490 599124636 /nfs/dbraw/zinc/12/46/36/599124636.db2.gz ORQJDWZWKCIESH-DNVCBOLYSA-N -1 3 386.459 3.690 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000737409490 599124638 /nfs/dbraw/zinc/12/46/38/599124638.db2.gz ORQJDWZWKCIESH-DNVCBOLYSA-N -1 3 386.459 3.690 20 0 GHADHM c1ccc(-c2noc(COc3ccc(-c4ccc(-c5nnn[n-]5)cc4)cc3)n2)nc1 ZINC000738427383 599124720 /nfs/dbraw/zinc/12/47/20/599124720.db2.gz WBSIIIUYXPROLO-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2noc(COc3ccc(-c4ccc(-c5nn[n-]n5)cc4)cc3)n2)nc1 ZINC000738427383 599124722 /nfs/dbraw/zinc/12/47/22/599124722.db2.gz WBSIIIUYXPROLO-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM COc1ccccc1[C@@H](C)SCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821882977 599128165 /nfs/dbraw/zinc/12/81/65/599128165.db2.gz OUNBUIBFKKKILE-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccccc1[C@@H](C)SCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821882977 599128167 /nfs/dbraw/zinc/12/81/67/599128167.db2.gz OUNBUIBFKKKILE-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc(Cl)c(Cl)c1 ZINC000823696276 599129078 /nfs/dbraw/zinc/12/90/78/599129078.db2.gz CAKGIDLJLLWPTL-LLVKDONJSA-N -1 3 397.287 3.706 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc2cc(C(F)(F)F)ccc21 ZINC000463617251 599133810 /nfs/dbraw/zinc/13/38/10/599133810.db2.gz WELVRYJAQJEILH-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc2cc(C(F)(F)F)ccc21 ZINC000463617251 599133812 /nfs/dbraw/zinc/13/38/12/599133812.db2.gz WELVRYJAQJEILH-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233562 599137313 /nfs/dbraw/zinc/13/73/13/599137313.db2.gz RIIQCAOPPRWYLI-YSGRDPCXSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233562 599137314 /nfs/dbraw/zinc/13/73/14/599137314.db2.gz RIIQCAOPPRWYLI-YSGRDPCXSA-N -1 3 391.475 3.520 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000821100283 599140779 /nfs/dbraw/zinc/14/07/79/599140779.db2.gz XJESXKBUAKETSI-LJQANCHMSA-N -1 3 393.516 3.636 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000821100283 599140783 /nfs/dbraw/zinc/14/07/83/599140783.db2.gz XJESXKBUAKETSI-LJQANCHMSA-N -1 3 393.516 3.636 20 0 GHADHM Cc1cc(F)cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1 ZINC000822203157 599144328 /nfs/dbraw/zinc/14/43/28/599144328.db2.gz HDLXSSXUKBRKPO-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1cc(F)cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1 ZINC000822203157 599144330 /nfs/dbraw/zinc/14/43/30/599144330.db2.gz HDLXSSXUKBRKPO-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM CCCC(=O)COC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736410076 599148807 /nfs/dbraw/zinc/14/88/07/599148807.db2.gz KETUUAQOXUHFFY-UHFFFAOYSA-N -1 3 396.472 3.685 20 0 GHADHM CCCC(=O)COC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736410076 599148811 /nfs/dbraw/zinc/14/88/11/599148811.db2.gz KETUUAQOXUHFFY-UHFFFAOYSA-N -1 3 396.472 3.685 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000737390922 599148869 /nfs/dbraw/zinc/14/88/69/599148869.db2.gz WSXLHFYWGSLJDE-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C ZINC000737390922 599148870 /nfs/dbraw/zinc/14/88/70/599148870.db2.gz WSXLHFYWGSLJDE-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822232939 599149352 /nfs/dbraw/zinc/14/93/52/599149352.db2.gz FDFORDDSGQJNJG-IEBWSBKVSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822232939 599149353 /nfs/dbraw/zinc/14/93/53/599149353.db2.gz FDFORDDSGQJNJG-IEBWSBKVSA-N -1 3 377.448 3.590 20 0 GHADHM CCCCC[C@@H](C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821049888 599150913 /nfs/dbraw/zinc/15/09/13/599150913.db2.gz NPTLGUYDGIHXKV-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCC[C@@H](C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821049888 599150916 /nfs/dbraw/zinc/15/09/16/599150916.db2.gz NPTLGUYDGIHXKV-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCC[C@@H](C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821042517 599151239 /nfs/dbraw/zinc/15/12/39/599151239.db2.gz DCUWHAUGQRBIKX-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM Cc1cnc(CSc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)o1 ZINC000737444823 599159340 /nfs/dbraw/zinc/15/93/40/599159340.db2.gz AZYNJXIBRJBAMN-UHFFFAOYSA-N -1 3 380.433 3.599 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000735904920 599159522 /nfs/dbraw/zinc/15/95/22/599159522.db2.gz WPKAHLDDPJPSKT-CYBMUJFWSA-N -1 3 383.427 3.925 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000735904920 599159525 /nfs/dbraw/zinc/15/95/25/599159525.db2.gz WPKAHLDDPJPSKT-CYBMUJFWSA-N -1 3 383.427 3.925 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738162951 599161070 /nfs/dbraw/zinc/16/10/70/599161070.db2.gz JKLOCYRYCGMSMO-NXEZZACHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738162951 599161073 /nfs/dbraw/zinc/16/10/73/599161073.db2.gz JKLOCYRYCGMSMO-NXEZZACHSA-N -1 3 375.766 3.541 20 0 GHADHM CC(C)(C)[C@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735596631 599161924 /nfs/dbraw/zinc/16/19/24/599161924.db2.gz LDOVXVJPRWLKQW-KRWDZBQOSA-N -1 3 387.553 3.775 20 0 GHADHM CC(C)(C)[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735596631 599161927 /nfs/dbraw/zinc/16/19/27/599161927.db2.gz LDOVXVJPRWLKQW-KRWDZBQOSA-N -1 3 387.553 3.775 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736682361 599169235 /nfs/dbraw/zinc/16/92/35/599169235.db2.gz BIWBBXWOAYIPTG-LBPRGKRZSA-N -1 3 385.468 3.538 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736682361 599169238 /nfs/dbraw/zinc/16/92/38/599169238.db2.gz BIWBBXWOAYIPTG-LBPRGKRZSA-N -1 3 385.468 3.538 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000736099638 599170474 /nfs/dbraw/zinc/17/04/74/599170474.db2.gz JWLWJAQEXYHAQW-ACJLOTCBSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000736099638 599170475 /nfs/dbraw/zinc/17/04/75/599170475.db2.gz JWLWJAQEXYHAQW-ACJLOTCBSA-N -1 3 399.495 4.000 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223246 599171078 /nfs/dbraw/zinc/17/10/78/599171078.db2.gz ISKDTMHDSLSTFB-IIYDPXPESA-N -1 3 391.516 3.627 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223246 599171082 /nfs/dbraw/zinc/17/10/82/599171082.db2.gz ISKDTMHDSLSTFB-IIYDPXPESA-N -1 3 391.516 3.627 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cnc2ccsc2c1 ZINC000738206104 599179160 /nfs/dbraw/zinc/17/91/60/599179160.db2.gz CBCNFYIWPWFBMH-UHFFFAOYSA-N -1 3 382.474 3.669 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cnc2ccsc2c1 ZINC000738206104 599179163 /nfs/dbraw/zinc/17/91/63/599179163.db2.gz CBCNFYIWPWFBMH-UHFFFAOYSA-N -1 3 382.474 3.669 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352901 599182548 /nfs/dbraw/zinc/18/25/48/599182548.db2.gz MIZDYBSTRHACHN-ACJLOTCBSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352901 599182550 /nfs/dbraw/zinc/18/25/50/599182550.db2.gz MIZDYBSTRHACHN-ACJLOTCBSA-N -1 3 398.898 3.902 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(-c2ccc(F)cc2)s1 ZINC000823241724 599182662 /nfs/dbraw/zinc/18/26/62/599182662.db2.gz DYTJXTXIJLGYCW-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(-c2ccc(F)cc2)s1 ZINC000823241724 599182665 /nfs/dbraw/zinc/18/26/65/599182665.db2.gz DYTJXTXIJLGYCW-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2c(cccc2Cl)s1 ZINC000823237830 599182753 /nfs/dbraw/zinc/18/27/53/599182753.db2.gz CLIPOTGIBKBXHA-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2c(cccc2Cl)s1 ZINC000823237830 599182755 /nfs/dbraw/zinc/18/27/55/599182755.db2.gz CLIPOTGIBKBXHA-UHFFFAOYSA-N -1 3 387.827 3.804 20 0 GHADHM CCCCCC[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736445676 599188950 /nfs/dbraw/zinc/18/89/50/599188950.db2.gz LZXUZVRCJCEPMH-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CCCCCC[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736445676 599188954 /nfs/dbraw/zinc/18/89/54/599188954.db2.gz LZXUZVRCJCEPMH-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666727 599190471 /nfs/dbraw/zinc/19/04/71/599190471.db2.gz JGHGUJUMBAFKCJ-AUUYWEPGSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666727 599190474 /nfs/dbraw/zinc/19/04/74/599190474.db2.gz JGHGUJUMBAFKCJ-AUUYWEPGSA-N -1 3 379.439 3.548 20 0 GHADHM O=C(c1cccnc1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738286444 599191242 /nfs/dbraw/zinc/19/12/42/599191242.db2.gz OCAUOGLMNUUMMO-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1cccnc1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738286444 599191244 /nfs/dbraw/zinc/19/12/44/599191244.db2.gz OCAUOGLMNUUMMO-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000820535626 599192853 /nfs/dbraw/zinc/19/28/53/599192853.db2.gz PKYXTXLUDDSFBH-MRXNPFEDSA-N -1 3 399.454 3.964 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000820535626 599192857 /nfs/dbraw/zinc/19/28/57/599192857.db2.gz PKYXTXLUDDSFBH-MRXNPFEDSA-N -1 3 399.454 3.964 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000820994589 599214276 /nfs/dbraw/zinc/21/42/76/599214276.db2.gz IZEYRRVHKMJESL-CQSZACIVSA-N -1 3 379.489 3.501 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000820994589 599214277 /nfs/dbraw/zinc/21/42/77/599214277.db2.gz IZEYRRVHKMJESL-CQSZACIVSA-N -1 3 379.489 3.501 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924416 599215270 /nfs/dbraw/zinc/21/52/70/599215270.db2.gz SPXWYLGXCGGFPD-MRXNPFEDSA-N -1 3 393.491 3.679 20 0 GHADHM O=C(NCCC(F)(F)F)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823182181 599217006 /nfs/dbraw/zinc/21/70/06/599217006.db2.gz ISHRNXBVJNVQIQ-UHFFFAOYSA-N -1 3 393.394 3.700 20 0 GHADHM O=C(NCCC(F)(F)F)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823182181 599217008 /nfs/dbraw/zinc/21/70/08/599217008.db2.gz ISHRNXBVJNVQIQ-UHFFFAOYSA-N -1 3 393.394 3.700 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232828 599221949 /nfs/dbraw/zinc/22/19/49/599221949.db2.gz BUCCHIIVWPRPJQ-CXAGYDPISA-N -1 3 397.504 3.860 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232828 599221951 /nfs/dbraw/zinc/22/19/51/599221951.db2.gz BUCCHIIVWPRPJQ-CXAGYDPISA-N -1 3 397.504 3.860 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736402549 599223896 /nfs/dbraw/zinc/22/38/96/599223896.db2.gz NRJPHSYQQIWCOP-OAHLLOKOSA-N -1 3 392.463 3.706 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736402549 599223899 /nfs/dbraw/zinc/22/38/99/599223899.db2.gz NRJPHSYQQIWCOP-OAHLLOKOSA-N -1 3 392.463 3.706 20 0 GHADHM O=C(Nc1cccc(Oc2ccccc2)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823366985 607262488 /nfs/dbraw/zinc/26/24/88/607262488.db2.gz BQMSFWIPCKZCAO-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(Oc2ccccc2)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823366985 607262489 /nfs/dbraw/zinc/26/24/89/607262489.db2.gz BQMSFWIPCKZCAO-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736236589 599227008 /nfs/dbraw/zinc/22/70/08/599227008.db2.gz SEHURNZCJQPPDX-ORPRQENYSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736236589 599227009 /nfs/dbraw/zinc/22/70/09/599227009.db2.gz SEHURNZCJQPPDX-ORPRQENYSA-N -1 3 395.894 3.966 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822061584 607268742 /nfs/dbraw/zinc/26/87/42/607268742.db2.gz QYJCTHSMEBEAJW-LSDHHAIUSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822061584 607268743 /nfs/dbraw/zinc/26/87/43/607268743.db2.gz QYJCTHSMEBEAJW-LSDHHAIUSA-N -1 3 398.264 3.680 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403447 599237602 /nfs/dbraw/zinc/23/76/02/599237602.db2.gz KGDRLOBUFGETMH-SECBINFHSA-N -1 3 376.848 3.707 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403447 599237604 /nfs/dbraw/zinc/23/76/04/599237604.db2.gz KGDRLOBUFGETMH-SECBINFHSA-N -1 3 376.848 3.707 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820020685 599242438 /nfs/dbraw/zinc/24/24/38/599242438.db2.gz JWLMMKHFDCDHPO-GOSISDBHSA-N -1 3 382.443 3.737 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820020685 599242441 /nfs/dbraw/zinc/24/24/41/599242441.db2.gz JWLMMKHFDCDHPO-GOSISDBHSA-N -1 3 382.443 3.737 20 0 GHADHM O=C([O-])c1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000262689393 597135351 /nfs/dbraw/zinc/13/53/51/597135351.db2.gz FRDHLILCSFKMDK-UHFFFAOYSA-N -1 3 392.249 3.598 20 0 GHADHM O=C([O-])c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000819683681 597136180 /nfs/dbraw/zinc/13/61/80/597136180.db2.gz IVPBFGBNNMYFSP-UHFFFAOYSA-N -1 3 384.439 3.922 20 0 GHADHM Cc1c(NC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cccc1-c1nnn[n-]1 ZINC000822077827 607288330 /nfs/dbraw/zinc/28/83/30/607288330.db2.gz YSZDFJFPAQZXRD-PREGVCBESA-N -1 3 398.511 3.767 20 0 GHADHM Cc1c(NC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cccc1-c1nn[n-]n1 ZINC000822077827 607288331 /nfs/dbraw/zinc/28/83/31/607288331.db2.gz YSZDFJFPAQZXRD-PREGVCBESA-N -1 3 398.511 3.767 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000822090088 607285714 /nfs/dbraw/zinc/28/57/14/607285714.db2.gz IOQHDJZHNFWXGY-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000822090088 607285715 /nfs/dbraw/zinc/28/57/15/607285715.db2.gz IOQHDJZHNFWXGY-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000822351032 607292785 /nfs/dbraw/zinc/29/27/85/607292785.db2.gz KCOCUHKOQYOAPK-ZBFHGGJFSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000822351032 607292786 /nfs/dbraw/zinc/29/27/86/607292786.db2.gz KCOCUHKOQYOAPK-ZBFHGGJFSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822535282 607294415 /nfs/dbraw/zinc/29/44/15/607294415.db2.gz MCUXCHKJZZSZIC-UHFFFAOYSA-N -1 3 378.367 3.530 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822535282 607294416 /nfs/dbraw/zinc/29/44/16/607294416.db2.gz MCUXCHKJZZSZIC-UHFFFAOYSA-N -1 3 378.367 3.530 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913061 599260159 /nfs/dbraw/zinc/26/01/59/599260159.db2.gz CHTCUDGGGSHKHJ-OXJNMPFZSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913061 599260160 /nfs/dbraw/zinc/26/01/60/599260160.db2.gz CHTCUDGGGSHKHJ-OXJNMPFZSA-N -1 3 392.507 3.899 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147048 607299683 /nfs/dbraw/zinc/29/96/83/607299683.db2.gz DYONZRUZHGWFAR-FAFAAHBOSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147048 607299684 /nfs/dbraw/zinc/29/96/84/607299684.db2.gz DYONZRUZHGWFAR-FAFAAHBOSA-N -1 3 382.855 3.538 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000822299305 607301828 /nfs/dbraw/zinc/30/18/28/607301828.db2.gz FARXWNTZKKHWSI-QGZVFWFLSA-N -1 3 396.882 3.899 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822299305 607301829 /nfs/dbraw/zinc/30/18/29/607301829.db2.gz FARXWNTZKKHWSI-QGZVFWFLSA-N -1 3 396.882 3.899 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000820206682 607309800 /nfs/dbraw/zinc/30/98/00/607309800.db2.gz VNHFSYBWYVRFGR-UHFFFAOYSA-N -1 3 379.493 3.909 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000820206682 607309801 /nfs/dbraw/zinc/30/98/01/607309801.db2.gz VNHFSYBWYVRFGR-UHFFFAOYSA-N -1 3 379.493 3.909 20 0 GHADHM CC(C)(C)c1nc2cc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2o1 ZINC000819965456 607309816 /nfs/dbraw/zinc/30/98/16/607309816.db2.gz HLALEDYWQQPCGJ-UHFFFAOYSA-N -1 3 388.435 3.565 20 0 GHADHM CC(C)(C)c1nc2cc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2o1 ZINC000819965456 607309817 /nfs/dbraw/zinc/30/98/17/607309817.db2.gz HLALEDYWQQPCGJ-UHFFFAOYSA-N -1 3 388.435 3.565 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000821407052 599264903 /nfs/dbraw/zinc/26/49/03/599264903.db2.gz NYBAHFHRXNRJPV-QGZVFWFLSA-N -1 3 394.479 3.750 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000821407052 599264905 /nfs/dbraw/zinc/26/49/05/599264905.db2.gz NYBAHFHRXNRJPV-QGZVFWFLSA-N -1 3 394.479 3.750 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000736488447 599277518 /nfs/dbraw/zinc/27/75/18/599277518.db2.gz QPZDOOALZWZRNF-UHFFFAOYSA-N -1 3 389.463 3.660 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000736488359 599279031 /nfs/dbraw/zinc/27/90/31/599279031.db2.gz PUMLHEJAJNQMBQ-QGZVFWFLSA-N -1 3 376.464 3.747 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000736480083 599280342 /nfs/dbraw/zinc/28/03/42/599280342.db2.gz JYKSRVDBNNUFNW-UHFFFAOYSA-N -1 3 399.505 3.982 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823363995 599280346 /nfs/dbraw/zinc/28/03/46/599280346.db2.gz VEPXFYHJWPFRRQ-UHFFFAOYSA-N -1 3 380.305 3.755 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823363995 599280347 /nfs/dbraw/zinc/28/03/47/599280347.db2.gz VEPXFYHJWPFRRQ-UHFFFAOYSA-N -1 3 380.305 3.755 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2ccsc2s1 ZINC000736480083 599280344 /nfs/dbraw/zinc/28/03/44/599280344.db2.gz JYKSRVDBNNUFNW-UHFFFAOYSA-N -1 3 399.505 3.982 20 0 GHADHM CCCn1c(=O)c2ccccc2nc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502815 599284600 /nfs/dbraw/zinc/28/46/00/599284600.db2.gz DXXAVKKSWKDUFK-CYBMUJFWSA-N -1 3 392.488 3.840 20 0 GHADHM CCCn1c(=O)c2ccccc2nc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502815 599284603 /nfs/dbraw/zinc/28/46/03/599284603.db2.gz DXXAVKKSWKDUFK-CYBMUJFWSA-N -1 3 392.488 3.840 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736712794 599286030 /nfs/dbraw/zinc/28/60/30/599286030.db2.gz CGDIATYNIWCANC-CQSZACIVSA-N -1 3 391.504 3.922 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736712794 599286032 /nfs/dbraw/zinc/28/60/32/599286032.db2.gz CGDIATYNIWCANC-CQSZACIVSA-N -1 3 391.504 3.922 20 0 GHADHM C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192927 599287345 /nfs/dbraw/zinc/28/73/45/599287345.db2.gz OWHNCQGAZKVCGU-GFCCVEGCSA-N -1 3 393.476 3.830 20 0 GHADHM C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192927 599287347 /nfs/dbraw/zinc/28/73/47/599287347.db2.gz OWHNCQGAZKVCGU-GFCCVEGCSA-N -1 3 393.476 3.830 20 0 GHADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683893 607326303 /nfs/dbraw/zinc/32/63/03/607326303.db2.gz MTNVTDPZRBFRJF-HNNXBMFYSA-N -1 3 381.333 3.824 20 0 GHADHM CCC(CC)n1ccc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)n1 ZINC000820898327 607328344 /nfs/dbraw/zinc/32/83/44/607328344.db2.gz ZFTAJUJKDXPLFS-UHFFFAOYSA-N -1 3 376.848 3.665 20 0 GHADHM CCC(CC)n1ccc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)n1 ZINC000820898327 607328345 /nfs/dbraw/zinc/32/83/45/607328345.db2.gz ZFTAJUJKDXPLFS-UHFFFAOYSA-N -1 3 376.848 3.665 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737850868 598232449 /nfs/dbraw/zinc/23/24/49/598232449.db2.gz BCMNZFMSQMWLDB-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737850868 598232451 /nfs/dbraw/zinc/23/24/51/598232451.db2.gz BCMNZFMSQMWLDB-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000737077273 598235461 /nfs/dbraw/zinc/23/54/61/598235461.db2.gz VLMUYIJWOYUUAQ-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM C[C@H]1CN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000736295723 598238989 /nfs/dbraw/zinc/23/89/89/598238989.db2.gz WXCBPLMCWIEFBO-RYUDHWBXSA-N -1 3 386.406 3.502 20 0 GHADHM C[C@H]1CN(c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000736295723 598238991 /nfs/dbraw/zinc/23/89/91/598238991.db2.gz WXCBPLMCWIEFBO-RYUDHWBXSA-N -1 3 386.406 3.502 20 0 GHADHM Cc1nnc(N[C@H](C)c2ccc(OCCC(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000737523507 598244649 /nfs/dbraw/zinc/24/46/49/598244649.db2.gz ZOLZDJXDWAORAC-OAHLLOKOSA-N -1 3 381.484 3.872 20 0 GHADHM Cc1nnc(N[C@H](C)c2ccc(OCCC(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000737523507 598244651 /nfs/dbraw/zinc/24/46/51/598244651.db2.gz ZOLZDJXDWAORAC-OAHLLOKOSA-N -1 3 381.484 3.872 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736798171 598248158 /nfs/dbraw/zinc/24/81/58/598248158.db2.gz SBTFUTSHIWWXRB-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM CC(C)(C)c1nc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000735656075 598248288 /nfs/dbraw/zinc/24/82/88/598248288.db2.gz IKLOSSSZTBYQCN-UHFFFAOYSA-N -1 3 398.536 3.664 20 0 GHADHM CC(C)(C)c1nc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000735656075 598248290 /nfs/dbraw/zinc/24/82/90/598248290.db2.gz IKLOSSSZTBYQCN-UHFFFAOYSA-N -1 3 398.536 3.664 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736265189 598263724 /nfs/dbraw/zinc/26/37/24/598263724.db2.gz ZCVISIGCOHOUFO-DYVFJYSZSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736265189 598263725 /nfs/dbraw/zinc/26/37/25/598263725.db2.gz ZCVISIGCOHOUFO-DYVFJYSZSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736265191 598263833 /nfs/dbraw/zinc/26/38/33/598263833.db2.gz ZCVISIGCOHOUFO-GUYCJALGSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736265191 598263835 /nfs/dbraw/zinc/26/38/35/598263835.db2.gz ZCVISIGCOHOUFO-GUYCJALGSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736263429 598267212 /nfs/dbraw/zinc/26/72/12/598267212.db2.gz QQFHHVXZPRUGOL-UGSOOPFHSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736263429 598267215 /nfs/dbraw/zinc/26/72/15/598267215.db2.gz QQFHHVXZPRUGOL-UGSOOPFHSA-N -1 3 378.436 3.969 20 0 GHADHM c1ccc(-n2nc(CSCc3ccccc3-c3nnn[n-]3)c3c2CCC3)cc1 ZINC000738424671 598274116 /nfs/dbraw/zinc/27/41/16/598274116.db2.gz HYVBNXGMUCMOMK-UHFFFAOYSA-N -1 3 388.500 3.975 20 0 GHADHM c1ccc(-n2nc(CSCc3ccccc3-c3nn[n-]n3)c3c2CCC3)cc1 ZINC000738424671 598274118 /nfs/dbraw/zinc/27/41/18/598274118.db2.gz HYVBNXGMUCMOMK-UHFFFAOYSA-N -1 3 388.500 3.975 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735659931 598277298 /nfs/dbraw/zinc/27/72/98/598277298.db2.gz HEFAZHJSFIOILY-RYUDHWBXSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735659931 598277299 /nfs/dbraw/zinc/27/72/99/598277299.db2.gz HEFAZHJSFIOILY-RYUDHWBXSA-N -1 3 399.421 3.666 20 0 GHADHM CCN(Cc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736557219 598278308 /nfs/dbraw/zinc/27/83/08/598278308.db2.gz ZUGMOYCYNRPGBQ-UHFFFAOYSA-N -1 3 381.484 3.786 20 0 GHADHM CCN(Cc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736557219 598278310 /nfs/dbraw/zinc/27/83/10/598278310.db2.gz ZUGMOYCYNRPGBQ-UHFFFAOYSA-N -1 3 381.484 3.786 20 0 GHADHM CCOc1cccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736655365 598281159 /nfs/dbraw/zinc/28/11/59/598281159.db2.gz QLMJXVMEALQCOK-CYBMUJFWSA-N -1 3 397.483 3.705 20 0 GHADHM CCOc1cccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736655365 598281160 /nfs/dbraw/zinc/28/11/60/598281160.db2.gz QLMJXVMEALQCOK-CYBMUJFWSA-N -1 3 397.483 3.705 20 0 GHADHM CCCc1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736499011 598282749 /nfs/dbraw/zinc/28/27/49/598282749.db2.gz AFHRSRWYDQHOLD-UHFFFAOYSA-N -1 3 377.408 3.607 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C(F)(F)F ZINC000738173864 598286070 /nfs/dbraw/zinc/28/60/70/598286070.db2.gz UVIGIIOOFMNOGP-UHFFFAOYSA-N -1 3 383.717 3.813 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C(F)(F)F ZINC000738173864 598286072 /nfs/dbraw/zinc/28/60/72/598286072.db2.gz UVIGIIOOFMNOGP-UHFFFAOYSA-N -1 3 383.717 3.813 20 0 GHADHM O=C(Cc1ccccc1O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737974374 598287237 /nfs/dbraw/zinc/28/72/37/598287237.db2.gz ODZJMGVNTPHMFZ-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Cc1ccccc1O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737974374 598287239 /nfs/dbraw/zinc/28/72/39/598287239.db2.gz ODZJMGVNTPHMFZ-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000736478437 598295697 /nfs/dbraw/zinc/29/56/97/598295697.db2.gz ANYXQBYJMLQKIW-UHFFFAOYSA-N -1 3 388.475 3.638 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000736478437 598295699 /nfs/dbraw/zinc/29/56/99/598295699.db2.gz ANYXQBYJMLQKIW-UHFFFAOYSA-N -1 3 388.475 3.638 20 0 GHADHM Cc1cc(C)c(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737248925 598295995 /nfs/dbraw/zinc/29/59/95/598295995.db2.gz OWNPVAMRDIFZJI-UHFFFAOYSA-N -1 3 390.875 3.763 20 0 GHADHM Cc1cc(C)c(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737248925 598295997 /nfs/dbraw/zinc/29/59/97/598295997.db2.gz OWNPVAMRDIFZJI-UHFFFAOYSA-N -1 3 390.875 3.763 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736325584 598297218 /nfs/dbraw/zinc/29/72/18/598297218.db2.gz FTWPXYUWXXTACY-FIPLFPIMSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736325584 598297221 /nfs/dbraw/zinc/29/72/21/598297221.db2.gz FTWPXYUWXXTACY-FIPLFPIMSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328338 598297393 /nfs/dbraw/zinc/29/73/93/598297393.db2.gz OFVHQQGJRAIPDI-UGQPTUNDSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328338 598297395 /nfs/dbraw/zinc/29/73/95/598297395.db2.gz OFVHQQGJRAIPDI-UGQPTUNDSA-N -1 3 391.475 3.935 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccc(Cl)c2)CCCC1 ZINC000738101036 598302644 /nfs/dbraw/zinc/30/26/44/598302644.db2.gz WMGBZWIRIVVVLX-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccc(Cl)c2)CCCC1 ZINC000738101036 598302646 /nfs/dbraw/zinc/30/26/46/598302646.db2.gz WMGBZWIRIVVVLX-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000738232994 598303188 /nfs/dbraw/zinc/30/31/88/598303188.db2.gz ZDJFIXCULVNAAY-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2c(F)cccc2F)n1 ZINC000738232994 598303190 /nfs/dbraw/zinc/30/31/90/598303190.db2.gz ZDJFIXCULVNAAY-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737336847 598304026 /nfs/dbraw/zinc/30/40/26/598304026.db2.gz HVZUKASJFZJYTI-CQSZACIVSA-N -1 3 384.509 3.918 20 0 GHADHM Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737336847 598304028 /nfs/dbraw/zinc/30/40/28/598304028.db2.gz HVZUKASJFZJYTI-CQSZACIVSA-N -1 3 384.509 3.918 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737180524 598304925 /nfs/dbraw/zinc/30/49/25/598304925.db2.gz BJIVPUNBGCLQAX-UHFFFAOYSA-N -1 3 397.435 3.545 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737180524 598304927 /nfs/dbraw/zinc/30/49/27/598304927.db2.gz BJIVPUNBGCLQAX-UHFFFAOYSA-N -1 3 397.435 3.545 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822205927 607349476 /nfs/dbraw/zinc/34/94/76/607349476.db2.gz NOXQOWPVUKDSIY-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822205927 607349477 /nfs/dbraw/zinc/34/94/77/607349477.db2.gz NOXQOWPVUKDSIY-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000737639947 598311188 /nfs/dbraw/zinc/31/11/88/598311188.db2.gz IKIJQTOUFWDAAU-UHFFFAOYSA-N -1 3 389.316 3.580 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000737639947 598311190 /nfs/dbraw/zinc/31/11/90/598311190.db2.gz IKIJQTOUFWDAAU-UHFFFAOYSA-N -1 3 389.316 3.580 20 0 GHADHM Cc1cc2occ(CC(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c2cc1C ZINC000737284286 598311860 /nfs/dbraw/zinc/31/18/60/598311860.db2.gz IJCFFTFKWUSFBB-UHFFFAOYSA-N -1 3 379.395 3.574 20 0 GHADHM Cc1cc2occ(CC(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c2cc1C ZINC000737284286 598311861 /nfs/dbraw/zinc/31/18/61/598311861.db2.gz IJCFFTFKWUSFBB-UHFFFAOYSA-N -1 3 379.395 3.574 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000736361746 598319504 /nfs/dbraw/zinc/31/95/04/598319504.db2.gz GUMQVNWSOGMZHC-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736361746 598319506 /nfs/dbraw/zinc/31/95/06/598319506.db2.gz GUMQVNWSOGMZHC-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)c2ncccc12 ZINC000738099924 598323063 /nfs/dbraw/zinc/32/30/63/598323063.db2.gz LFHRJRMTVSGEKT-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)c2ncccc12 ZINC000738099924 598323065 /nfs/dbraw/zinc/32/30/65/598323065.db2.gz LFHRJRMTVSGEKT-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736127076 598325779 /nfs/dbraw/zinc/32/57/79/598325779.db2.gz QPJVUJQRMAUHKH-GFCCVEGCSA-N -1 3 395.444 3.591 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736127076 598325781 /nfs/dbraw/zinc/32/57/81/598325781.db2.gz QPJVUJQRMAUHKH-GFCCVEGCSA-N -1 3 395.444 3.591 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736127079 598325848 /nfs/dbraw/zinc/32/58/48/598325848.db2.gz QPJVUJQRMAUHKH-LBPRGKRZSA-N -1 3 395.444 3.591 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736127079 598325851 /nfs/dbraw/zinc/32/58/51/598325851.db2.gz QPJVUJQRMAUHKH-LBPRGKRZSA-N -1 3 395.444 3.591 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736831690 598326410 /nfs/dbraw/zinc/32/64/10/598326410.db2.gz QLIOIMOIODLWKH-UHFFFAOYSA-N -1 3 396.451 3.562 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736831690 598326411 /nfs/dbraw/zinc/32/64/11/598326411.db2.gz QLIOIMOIODLWKH-UHFFFAOYSA-N -1 3 396.451 3.562 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736248559 598327028 /nfs/dbraw/zinc/32/70/28/598327028.db2.gz JEGOWMOSCWPHSN-HUUCEWRRSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736248559 598327030 /nfs/dbraw/zinc/32/70/30/598327030.db2.gz JEGOWMOSCWPHSN-HUUCEWRRSA-N -1 3 395.463 3.595 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Br)Nc1sccc1-c1nnn[n-]1 ZINC000823073957 607350437 /nfs/dbraw/zinc/35/04/37/607350437.db2.gz GEZITDISWGRCAD-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Br)Nc1sccc1-c1nn[n-]n1 ZINC000823073957 607350438 /nfs/dbraw/zinc/35/04/38/607350438.db2.gz GEZITDISWGRCAD-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1Cc2ccccc2C1 ZINC000738278973 598359793 /nfs/dbraw/zinc/35/97/93/598359793.db2.gz QVBGWBVCUUULMJ-UHFFFAOYSA-N -1 3 383.411 3.815 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1Cc2ccccc2C1 ZINC000738278973 598359794 /nfs/dbraw/zinc/35/97/94/598359794.db2.gz QVBGWBVCUUULMJ-UHFFFAOYSA-N -1 3 383.411 3.815 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000735874065 598364515 /nfs/dbraw/zinc/36/45/15/598364515.db2.gz HLSVGDILZMKYKV-UHFFFAOYSA-N -1 3 398.536 3.600 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000735874065 598364516 /nfs/dbraw/zinc/36/45/16/598364516.db2.gz HLSVGDILZMKYKV-UHFFFAOYSA-N -1 3 398.536 3.600 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000736478572 598365081 /nfs/dbraw/zinc/36/50/81/598365081.db2.gz DQASFYVAFJAWEK-UHFFFAOYSA-N -1 3 398.536 3.602 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000736478572 598365083 /nfs/dbraw/zinc/36/50/83/598365083.db2.gz DQASFYVAFJAWEK-UHFFFAOYSA-N -1 3 398.536 3.602 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737389693 598365133 /nfs/dbraw/zinc/36/51/33/598365133.db2.gz NKGAYRSBMXTTAA-INIZCTEOSA-N -1 3 375.476 3.864 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737389693 598365135 /nfs/dbraw/zinc/36/51/35/598365135.db2.gz NKGAYRSBMXTTAA-INIZCTEOSA-N -1 3 375.476 3.864 20 0 GHADHM CCN(C(=O)Cc1csc(C(C)(C)C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504896 598365418 /nfs/dbraw/zinc/36/54/18/598365418.db2.gz DOLZTBWOZPXMKW-CYBMUJFWSA-N -1 3 398.536 3.773 20 0 GHADHM CCN(C(=O)Cc1csc(C(C)(C)C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504896 598365420 /nfs/dbraw/zinc/36/54/20/598365420.db2.gz DOLZTBWOZPXMKW-CYBMUJFWSA-N -1 3 398.536 3.773 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)COc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737379185 598366972 /nfs/dbraw/zinc/36/69/72/598366972.db2.gz DWOGXFBBJWLUOC-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1csc2ccccc12 ZINC000736117168 598371508 /nfs/dbraw/zinc/37/15/08/598371508.db2.gz IDFNFDSYKSJGAV-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1csc2ccccc12 ZINC000736117168 598371509 /nfs/dbraw/zinc/37/15/09/598371509.db2.gz IDFNFDSYKSJGAV-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM O=C(OCc1cc(Cl)ccn1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738236677 598374187 /nfs/dbraw/zinc/37/41/87/598374187.db2.gz PAZKQIPZGQSTSD-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1cc(Cl)ccn1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738236677 598374189 /nfs/dbraw/zinc/37/41/89/598374189.db2.gz PAZKQIPZGQSTSD-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000737059484 598379972 /nfs/dbraw/zinc/37/99/72/598379972.db2.gz UYZKDVSJNYRWTP-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000737059484 598379974 /nfs/dbraw/zinc/37/99/74/598379974.db2.gz UYZKDVSJNYRWTP-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000736964505 598382042 /nfs/dbraw/zinc/38/20/42/598382042.db2.gz XIWBPMYZQQRCCY-LIRRHRJNSA-N -1 3 395.463 3.616 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000736964505 598382044 /nfs/dbraw/zinc/38/20/44/598382044.db2.gz XIWBPMYZQQRCCY-LIRRHRJNSA-N -1 3 395.463 3.616 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000735627671 598388755 /nfs/dbraw/zinc/38/87/55/598388755.db2.gz NZEPSBUCJCAUGW-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000735627671 598388757 /nfs/dbraw/zinc/38/87/57/598388757.db2.gz NZEPSBUCJCAUGW-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM Cc1ccsc1-c1nnc(SCc2cn3ccccc3c2-c2nnn[n-]2)o1 ZINC000737443456 598392985 /nfs/dbraw/zinc/39/29/85/598392985.db2.gz WHOSPOFYLRDVBU-UHFFFAOYSA-N -1 3 395.473 3.832 20 0 GHADHM Cc1ccsc1-c1nnc(SCc2cn3ccccc3c2-c2nn[n-]n2)o1 ZINC000737443456 598392987 /nfs/dbraw/zinc/39/29/87/598392987.db2.gz WHOSPOFYLRDVBU-UHFFFAOYSA-N -1 3 395.473 3.832 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737107334 598413620 /nfs/dbraw/zinc/41/36/20/598413620.db2.gz BLQXBFZXDRIZKG-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107334 598413622 /nfs/dbraw/zinc/41/36/22/598413622.db2.gz BLQXBFZXDRIZKG-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735733418 598416091 /nfs/dbraw/zinc/41/60/91/598416091.db2.gz ABFKQIHFLSPLRA-SFHVURJKSA-N -1 3 381.505 3.642 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735733418 598416094 /nfs/dbraw/zinc/41/60/94/598416094.db2.gz ABFKQIHFLSPLRA-SFHVURJKSA-N -1 3 381.505 3.642 20 0 GHADHM O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738216055 598418833 /nfs/dbraw/zinc/41/88/33/598418833.db2.gz VWPZTHHCLOWDCS-SFHVURJKSA-N -1 3 391.818 3.862 20 0 GHADHM O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738216055 598418835 /nfs/dbraw/zinc/41/88/35/598418835.db2.gz VWPZTHHCLOWDCS-SFHVURJKSA-N -1 3 391.818 3.862 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737151863 598421524 /nfs/dbraw/zinc/42/15/24/598421524.db2.gz GKRVYZGJIDHOLJ-GFCCVEGCSA-N -1 3 397.504 3.633 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737151863 598421526 /nfs/dbraw/zinc/42/15/26/598421526.db2.gz GKRVYZGJIDHOLJ-GFCCVEGCSA-N -1 3 397.504 3.633 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000737291406 598421801 /nfs/dbraw/zinc/42/18/01/598421801.db2.gz KRRMGMBGOABOJD-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000737291406 598421803 /nfs/dbraw/zinc/42/18/03/598421803.db2.gz KRRMGMBGOABOJD-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738111133 598422120 /nfs/dbraw/zinc/42/21/20/598422120.db2.gz INBMIHXLHUMQSE-LSDHHAIUSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738111133 598422122 /nfs/dbraw/zinc/42/21/22/598422122.db2.gz INBMIHXLHUMQSE-LSDHHAIUSA-N -1 3 388.258 3.593 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736170187 598422561 /nfs/dbraw/zinc/42/25/61/598422561.db2.gz OJWXEUHIEASQLW-CHWSQXEVSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736163262 598425891 /nfs/dbraw/zinc/42/58/91/598425891.db2.gz HOLRRMMDKRJJQN-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736163262 598425892 /nfs/dbraw/zinc/42/58/92/598425892.db2.gz HOLRRMMDKRJJQN-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000736240675 598429831 /nfs/dbraw/zinc/42/98/31/598429831.db2.gz WFPPTPCQWGASOV-KBXCAEBGSA-N -1 3 394.479 3.703 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000736240675 598429833 /nfs/dbraw/zinc/42/98/33/598429833.db2.gz WFPPTPCQWGASOV-KBXCAEBGSA-N -1 3 394.479 3.703 20 0 GHADHM Cc1ccc2cccc(NC(=O)CSCc3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737373392 598445917 /nfs/dbraw/zinc/44/59/17/598445917.db2.gz HASHOVHTVBEIEQ-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM Cc1ccc2cccc(NC(=O)CSCc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737373392 598445918 /nfs/dbraw/zinc/44/59/18/598445918.db2.gz HASHOVHTVBEIEQ-UHFFFAOYSA-N -1 3 390.472 3.595 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738147371 598446269 /nfs/dbraw/zinc/44/62/69/598446269.db2.gz VHFYYCVLLPLISZ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738147371 598446270 /nfs/dbraw/zinc/44/62/70/598446270.db2.gz VHFYYCVLLPLISZ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1Cl ZINC000737571267 598461234 /nfs/dbraw/zinc/46/12/34/598461234.db2.gz YYKKELLKFPGSGN-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737571267 598461236 /nfs/dbraw/zinc/46/12/36/598461236.db2.gz YYKKELLKFPGSGN-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Cc1oc(NC(=O)[C@H](C)N(C)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1C ZINC000822540460 607357473 /nfs/dbraw/zinc/35/74/73/607357473.db2.gz BCCIIFNUQHFXHS-ZDUSSCGKSA-N -1 3 390.447 3.693 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccccc2-c2nnn[n-]2)c1 ZINC000735838102 598465048 /nfs/dbraw/zinc/46/50/48/598465048.db2.gz CGNBPKGLBVFNQX-UHFFFAOYSA-N -1 3 381.505 3.686 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccccc2-c2nn[n-]n2)c1 ZINC000735838102 598465049 /nfs/dbraw/zinc/46/50/49/598465049.db2.gz CGNBPKGLBVFNQX-UHFFFAOYSA-N -1 3 381.505 3.686 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000736637596 598467602 /nfs/dbraw/zinc/46/76/02/598467602.db2.gz WLKNPJAIMGDNDJ-VZSAFFHGSA-N -1 3 395.438 3.696 20 0 GHADHM O=C(OCc1ccc(OCc2ccccc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738235415 598473760 /nfs/dbraw/zinc/47/37/60/598473760.db2.gz LNXWDPAVRNLTBP-UHFFFAOYSA-N -1 3 392.440 3.864 20 0 GHADHM Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000737248450 598474954 /nfs/dbraw/zinc/47/49/54/598474954.db2.gz FBVCSWLKWSPASB-UHFFFAOYSA-N -1 3 376.464 3.988 20 0 GHADHM Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000737248450 598474955 /nfs/dbraw/zinc/47/49/55/598474955.db2.gz FBVCSWLKWSPASB-UHFFFAOYSA-N -1 3 376.464 3.988 20 0 GHADHM CSc1ccccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737191096 598475329 /nfs/dbraw/zinc/47/53/29/598475329.db2.gz LRLHDJXJGCIFKX-UHFFFAOYSA-N -1 3 380.477 3.785 20 0 GHADHM CSc1ccccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737191096 598475331 /nfs/dbraw/zinc/47/53/31/598475331.db2.gz LRLHDJXJGCIFKX-UHFFFAOYSA-N -1 3 380.477 3.785 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737293041 598476888 /nfs/dbraw/zinc/47/68/88/598476888.db2.gz YXMVRIHXCFJYSN-QGZVFWFLSA-N -1 3 376.464 3.977 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000737293041 598476890 /nfs/dbraw/zinc/47/68/90/598476890.db2.gz YXMVRIHXCFJYSN-QGZVFWFLSA-N -1 3 376.464 3.977 20 0 GHADHM CC(C)c1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C(C)(C)C ZINC000735922604 598484133 /nfs/dbraw/zinc/48/41/33/598484133.db2.gz NEFCIPXAHGQEFE-CYBMUJFWSA-N -1 3 382.468 3.860 20 0 GHADHM CC(C)c1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C(C)(C)C ZINC000735922604 598484135 /nfs/dbraw/zinc/48/41/35/598484135.db2.gz NEFCIPXAHGQEFE-CYBMUJFWSA-N -1 3 382.468 3.860 20 0 GHADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738074917 598484384 /nfs/dbraw/zinc/48/43/84/598484384.db2.gz IAUJMHNWFRBDGW-UHFFFAOYSA-N -1 3 395.854 3.756 20 0 GHADHM O=C(NCCCc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738074917 598484387 /nfs/dbraw/zinc/48/43/87/598484387.db2.gz IAUJMHNWFRBDGW-UHFFFAOYSA-N -1 3 395.854 3.756 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737320586 598486574 /nfs/dbraw/zinc/48/65/74/598486574.db2.gz RMSZYBKHUZKJDZ-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737320586 598486576 /nfs/dbraw/zinc/48/65/76/598486576.db2.gz RMSZYBKHUZKJDZ-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM C[C@@H](OC(=O)CSc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155234 598487675 /nfs/dbraw/zinc/48/76/75/598487675.db2.gz KLSNMKCEOFHXHA-LLVKDONJSA-N -1 3 397.485 3.873 20 0 GHADHM C[C@@H](OC(=O)CSc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155234 598487677 /nfs/dbraw/zinc/48/76/77/598487677.db2.gz KLSNMKCEOFHXHA-LLVKDONJSA-N -1 3 397.485 3.873 20 0 GHADHM C[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736155024 598487959 /nfs/dbraw/zinc/48/79/59/598487959.db2.gz FUVXOBFXFZOAQE-JTQLQIEISA-N -1 3 393.230 3.857 20 0 GHADHM C[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736155024 598487960 /nfs/dbraw/zinc/48/79/60/598487960.db2.gz FUVXOBFXFZOAQE-JTQLQIEISA-N -1 3 393.230 3.857 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147099 598488352 /nfs/dbraw/zinc/48/83/52/598488352.db2.gz ANXDSOQLOCESCA-PRDAAYKISA-N -1 3 377.429 3.794 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147099 598488354 /nfs/dbraw/zinc/48/83/54/598488354.db2.gz ANXDSOQLOCESCA-PRDAAYKISA-N -1 3 377.429 3.794 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737467946 598490826 /nfs/dbraw/zinc/49/08/26/598490826.db2.gz LMLPLAMXNSJJLP-UHFFFAOYSA-N -1 3 387.513 3.738 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737467946 598490828 /nfs/dbraw/zinc/49/08/28/598490828.db2.gz LMLPLAMXNSJJLP-UHFFFAOYSA-N -1 3 387.513 3.738 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cccc(Cl)c1 ZINC000736629642 598494624 /nfs/dbraw/zinc/49/46/24/598494624.db2.gz YQRHJUNUXINKBM-UHFFFAOYSA-N -1 3 393.230 3.720 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cccc(Cl)c1 ZINC000736629642 598494625 /nfs/dbraw/zinc/49/46/25/598494625.db2.gz YQRHJUNUXINKBM-UHFFFAOYSA-N -1 3 393.230 3.720 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737379186 598494957 /nfs/dbraw/zinc/49/49/57/598494957.db2.gz FAVJWIIFFCVHHT-UHFFFAOYSA-N -1 3 395.448 3.662 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737379186 598494958 /nfs/dbraw/zinc/49/49/58/598494958.db2.gz FAVJWIIFFCVHHT-UHFFFAOYSA-N -1 3 395.448 3.662 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OCC3CC3)cc2)c1-c1nnn[n-]1 ZINC000736675722 598514163 /nfs/dbraw/zinc/51/41/63/598514163.db2.gz KZTOVIBFDJBEHN-UHFFFAOYSA-N -1 3 383.477 3.840 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC000736675722 598514164 /nfs/dbraw/zinc/51/41/64/598514164.db2.gz KZTOVIBFDJBEHN-UHFFFAOYSA-N -1 3 383.477 3.840 20 0 GHADHM CCSc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736668353 598514223 /nfs/dbraw/zinc/51/42/23/598514223.db2.gz XQBYQFFMDYAZRD-UHFFFAOYSA-N -1 3 382.493 3.677 20 0 GHADHM CCSc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736668353 598514224 /nfs/dbraw/zinc/51/42/24/598514224.db2.gz XQBYQFFMDYAZRD-UHFFFAOYSA-N -1 3 382.493 3.677 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735798381 598538468 /nfs/dbraw/zinc/53/84/68/598538468.db2.gz WFSICYUGAFLPNG-OAHLLOKOSA-N -1 3 397.479 3.983 20 0 GHADHM CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000736509154 598538903 /nfs/dbraw/zinc/53/89/03/598538903.db2.gz TUYAEAIQLPMIBO-UHFFFAOYSA-N -1 3 389.415 3.705 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736247123 598540032 /nfs/dbraw/zinc/54/00/32/598540032.db2.gz ADQXXLAIGVRKOO-LSDHHAIUSA-N -1 3 395.463 3.595 20 0 GHADHM CCCCSCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736462533 598543647 /nfs/dbraw/zinc/54/36/47/598543647.db2.gz GXMUQMVETKIYEQ-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CCCCSCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736462533 598543648 /nfs/dbraw/zinc/54/36/48/598543648.db2.gz GXMUQMVETKIYEQ-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1C(F)(F)F ZINC000737804020 598544264 /nfs/dbraw/zinc/54/42/64/598544264.db2.gz XWGUFEONVAEPDF-VMPITWQZSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1C(F)(F)F ZINC000737804020 598544265 /nfs/dbraw/zinc/54/42/65/598544265.db2.gz XWGUFEONVAEPDF-VMPITWQZSA-N -1 3 377.301 3.677 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccccc1F ZINC000735830173 598552862 /nfs/dbraw/zinc/55/28/62/598552862.db2.gz SXIFPIUZRZLEKH-OAHLLOKOSA-N -1 3 381.455 3.794 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccccc1F ZINC000735830173 598552863 /nfs/dbraw/zinc/55/28/63/598552863.db2.gz SXIFPIUZRZLEKH-OAHLLOKOSA-N -1 3 381.455 3.794 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117602 598558552 /nfs/dbraw/zinc/55/85/52/598558552.db2.gz QLXBZQRLKZIJNQ-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117602 598558554 /nfs/dbraw/zinc/55/85/54/598558554.db2.gz QLXBZQRLKZIJNQ-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N[C@@H](C)C(C)C ZINC000737280748 598559416 /nfs/dbraw/zinc/55/94/16/598559416.db2.gz SDAGVZKFGLXMCK-HNNXBMFYSA-N -1 3 394.479 3.920 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N[C@@H](C)C(C)C ZINC000737280748 598559418 /nfs/dbraw/zinc/55/94/18/598559418.db2.gz SDAGVZKFGLXMCK-HNNXBMFYSA-N -1 3 394.479 3.920 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736314916 598559738 /nfs/dbraw/zinc/55/97/38/598559738.db2.gz PFMLYRSGIAIEES-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736314916 598559740 /nfs/dbraw/zinc/55/97/40/598559740.db2.gz PFMLYRSGIAIEES-AWEZNQCLSA-N -1 3 394.479 3.764 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)/C=C/Sc1ccccc1 ZINC000737025164 598564486 /nfs/dbraw/zinc/56/44/86/598564486.db2.gz MGTHCPUJJQSUDA-BQYQJAHWSA-N -1 3 388.836 3.740 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)/C=C/Sc1ccccc1 ZINC000737025164 598564487 /nfs/dbraw/zinc/56/44/87/598564487.db2.gz MGTHCPUJJQSUDA-BQYQJAHWSA-N -1 3 388.836 3.740 20 0 GHADHM O=C(N[C@@H]1CCc2c1cccc2O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738033588 598568506 /nfs/dbraw/zinc/56/85/06/598568506.db2.gz CGSSGMIOGONKSG-HXUWFJFHSA-N -1 3 397.438 3.657 20 0 GHADHM O=C(N[C@@H]1CCc2c1cccc2O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738033588 598568507 /nfs/dbraw/zinc/56/85/07/598568507.db2.gz CGSSGMIOGONKSG-HXUWFJFHSA-N -1 3 397.438 3.657 20 0 GHADHM C[C@H](c1cccc(O)c1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736198851 598581740 /nfs/dbraw/zinc/58/17/40/598581740.db2.gz KZIZFXZIAWWUAI-SNVBAGLBSA-N -1 3 388.884 3.616 20 0 GHADHM C[C@H](c1cccc(O)c1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736198851 598581743 /nfs/dbraw/zinc/58/17/43/598581743.db2.gz KZIZFXZIAWWUAI-SNVBAGLBSA-N -1 3 388.884 3.616 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736177771 598592344 /nfs/dbraw/zinc/59/23/44/598592344.db2.gz UVHOVGRHMKBMTO-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736177771 598592345 /nfs/dbraw/zinc/59/23/45/598592345.db2.gz UVHOVGRHMKBMTO-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CCO2 ZINC000737664972 598592717 /nfs/dbraw/zinc/59/27/17/598592717.db2.gz GYCALLKPPFOQKM-AWEZNQCLSA-N -1 3 379.317 3.960 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CCO2 ZINC000737664972 598592719 /nfs/dbraw/zinc/59/27/19/598592719.db2.gz GYCALLKPPFOQKM-AWEZNQCLSA-N -1 3 379.317 3.960 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000738168282 598600139 /nfs/dbraw/zinc/60/01/39/598600139.db2.gz YCFZJWMXILVERX-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000738168282 598600140 /nfs/dbraw/zinc/60/01/40/598600140.db2.gz YCFZJWMXILVERX-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCc1cccc(F)c1 ZINC000735875649 598601027 /nfs/dbraw/zinc/60/10/27/598601027.db2.gz YAOLYSRGFJOGRV-UHFFFAOYSA-N -1 3 396.470 3.559 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCc1cccc(F)c1 ZINC000735875649 598601030 /nfs/dbraw/zinc/60/10/30/598601030.db2.gz YAOLYSRGFJOGRV-UHFFFAOYSA-N -1 3 396.470 3.559 20 0 GHADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccc3cccnc32)no1 ZINC000735401079 598609703 /nfs/dbraw/zinc/60/97/03/598609703.db2.gz XLGNVPRCKLPJMZ-KHPPLWFESA-N -1 3 381.399 3.559 20 0 GHADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccc3cccnc32)no1 ZINC000735401079 598609705 /nfs/dbraw/zinc/60/97/05/598609705.db2.gz XLGNVPRCKLPJMZ-KHPPLWFESA-N -1 3 381.399 3.559 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(CCCc2ccccc2)no1 ZINC000736186828 598610606 /nfs/dbraw/zinc/61/06/06/598610606.db2.gz DGCNYOFSXCBLIF-AWEZNQCLSA-N -1 3 376.420 3.565 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(CCCc2ccccc2)no1 ZINC000736186828 598610608 /nfs/dbraw/zinc/61/06/08/598610608.db2.gz DGCNYOFSXCBLIF-AWEZNQCLSA-N -1 3 376.420 3.565 20 0 GHADHM CCCCOc1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736463081 598628782 /nfs/dbraw/zinc/62/87/82/598628782.db2.gz KSKWBQMUTDSQCE-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCCCOc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736463081 598628783 /nfs/dbraw/zinc/62/87/83/598628783.db2.gz KSKWBQMUTDSQCE-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM FC(F)(F)c1cc(Oc2ccccc2-c2nnn[n-]2)nc(-c2cccnc2)n1 ZINC000737633296 598629550 /nfs/dbraw/zinc/62/95/50/598629550.db2.gz QBBKPXBJDIDXHE-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM FC(F)(F)c1cc(Oc2ccccc2-c2nn[n-]n2)nc(-c2cccnc2)n1 ZINC000737633296 598629552 /nfs/dbraw/zinc/62/95/52/598629552.db2.gz QBBKPXBJDIDXHE-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000737571242 598630496 /nfs/dbraw/zinc/63/04/96/598630496.db2.gz XVRYLKSPLBEHTO-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000737571242 598630498 /nfs/dbraw/zinc/63/04/98/598630498.db2.gz XVRYLKSPLBEHTO-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM CC(C)[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735711297 598633415 /nfs/dbraw/zinc/63/34/15/598633415.db2.gz YAACPFLMASOOFR-ZDUSSCGKSA-N -1 3 398.442 3.751 20 0 GHADHM CC(C)[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735711297 598633416 /nfs/dbraw/zinc/63/34/16/598633416.db2.gz YAACPFLMASOOFR-ZDUSSCGKSA-N -1 3 398.442 3.751 20 0 GHADHM CC(C)(C)CNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735619833 598633635 /nfs/dbraw/zinc/63/36/35/598633635.db2.gz XYFQGKRLCDEZAD-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CC(C)(C)CNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735619833 598633637 /nfs/dbraw/zinc/63/36/37/598633637.db2.gz XYFQGKRLCDEZAD-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM Clc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737562944 598636805 /nfs/dbraw/zinc/63/68/05/598636805.db2.gz AZKYTRJANRUWOX-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM Clc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737562944 598636807 /nfs/dbraw/zinc/63/68/07/598636807.db2.gz AZKYTRJANRUWOX-UHFFFAOYSA-N -1 3 375.263 3.500 20 0 GHADHM CCNc1nc(SCc2ccc(F)cc2-c2nnn[n-]2)nc2ccccc21 ZINC000736583055 598644110 /nfs/dbraw/zinc/64/41/10/598644110.db2.gz RDEVHEZJXBTFHR-UHFFFAOYSA-N -1 3 381.440 3.673 20 0 GHADHM CCNc1nc(SCc2ccc(F)cc2-c2nn[n-]n2)nc2ccccc21 ZINC000736583055 598644111 /nfs/dbraw/zinc/64/41/11/598644111.db2.gz RDEVHEZJXBTFHR-UHFFFAOYSA-N -1 3 381.440 3.673 20 0 GHADHM CO[C@H]1CCC[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736962856 598647448 /nfs/dbraw/zinc/64/74/48/598647448.db2.gz RNMPCFNHPKKIRD-PKOBYXMFSA-N -1 3 394.431 3.773 20 0 GHADHM CO[C@H]1CCC[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736962856 598647450 /nfs/dbraw/zinc/64/74/50/598647450.db2.gz RNMPCFNHPKKIRD-PKOBYXMFSA-N -1 3 394.431 3.773 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C1(Sc2ccccc2)CCCC1 ZINC000738112253 598650749 /nfs/dbraw/zinc/65/07/49/598650749.db2.gz NWRKDNKUAKKKQN-UHFFFAOYSA-N -1 3 379.489 3.588 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C1(Sc2ccccc2)CCCC1 ZINC000738112253 598650751 /nfs/dbraw/zinc/65/07/51/598650751.db2.gz NWRKDNKUAKKKQN-UHFFFAOYSA-N -1 3 379.489 3.588 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000737058524 598656493 /nfs/dbraw/zinc/65/64/93/598656493.db2.gz MOJQTUIICJQSTM-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000737058524 598656494 /nfs/dbraw/zinc/65/64/94/598656494.db2.gz MOJQTUIICJQSTM-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM CCOCc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736625650 598657316 /nfs/dbraw/zinc/65/73/16/598657316.db2.gz JSBWWGOWSHIIGB-UHFFFAOYSA-N -1 3 395.463 3.591 20 0 GHADHM CCOCc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736625650 598657319 /nfs/dbraw/zinc/65/73/19/598657319.db2.gz JSBWWGOWSHIIGB-UHFFFAOYSA-N -1 3 395.463 3.591 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737252575 598664988 /nfs/dbraw/zinc/66/49/88/598664988.db2.gz JITLWXQCMUEZOE-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737252575 598664990 /nfs/dbraw/zinc/66/49/90/598664990.db2.gz JITLWXQCMUEZOE-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000738382558 598674385 /nfs/dbraw/zinc/67/43/85/598674385.db2.gz LOCDJCWTNRAILZ-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000738382558 598674387 /nfs/dbraw/zinc/67/43/87/598674387.db2.gz LOCDJCWTNRAILZ-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc2c1cccc2F ZINC000736720724 598683789 /nfs/dbraw/zinc/68/37/89/598683789.db2.gz XDKXHNDRCKVZJU-UHFFFAOYSA-N -1 3 391.454 3.540 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc2c1cccc2F ZINC000736720724 598683791 /nfs/dbraw/zinc/68/37/91/598683791.db2.gz XDKXHNDRCKVZJU-UHFFFAOYSA-N -1 3 391.454 3.540 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736279043 598696115 /nfs/dbraw/zinc/69/61/15/598696115.db2.gz JRNLRFZJVYYKEZ-ZDUSSCGKSA-N -1 3 397.479 3.607 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736279043 598696118 /nfs/dbraw/zinc/69/61/18/598696118.db2.gz JRNLRFZJVYYKEZ-ZDUSSCGKSA-N -1 3 397.479 3.607 20 0 GHADHM CSc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737189028 598697033 /nfs/dbraw/zinc/69/70/33/598697033.db2.gz BTELOHDVCHCBMN-UHFFFAOYSA-N -1 3 389.481 3.600 20 0 GHADHM CSc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737189028 598697034 /nfs/dbraw/zinc/69/70/34/598697034.db2.gz BTELOHDVCHCBMN-UHFFFAOYSA-N -1 3 389.481 3.600 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000737936626 598698553 /nfs/dbraw/zinc/69/85/53/598698553.db2.gz UYNDOJVBKNDWPX-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000737936626 598698554 /nfs/dbraw/zinc/69/85/54/598698554.db2.gz UYNDOJVBKNDWPX-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM CCCC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736436138 598699057 /nfs/dbraw/zinc/69/90/57/598699057.db2.gz AZTDAJXEDGWOME-SFHVURJKSA-N -1 3 380.452 3.928 20 0 GHADHM CCCC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736436138 598699058 /nfs/dbraw/zinc/69/90/58/598699058.db2.gz AZTDAJXEDGWOME-SFHVURJKSA-N -1 3 380.452 3.928 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000736480143 598717087 /nfs/dbraw/zinc/71/70/87/598717087.db2.gz KXEKLLLRVFLAAV-MGPUTAFESA-N -1 3 390.491 3.722 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000736480143 598717089 /nfs/dbraw/zinc/71/70/89/598717089.db2.gz KXEKLLLRVFLAAV-MGPUTAFESA-N -1 3 390.491 3.722 20 0 GHADHM CC[C@H](C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736322872 598727589 /nfs/dbraw/zinc/72/75/89/598727589.db2.gz QIOCZVKLGRSJIG-ZDUSSCGKSA-N -1 3 381.440 3.564 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735874087 598731729 /nfs/dbraw/zinc/73/17/29/598731729.db2.gz HPVCQJRIBSDKEI-LJQANCHMSA-N -1 3 390.491 3.517 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735874087 598731730 /nfs/dbraw/zinc/73/17/30/598731730.db2.gz HPVCQJRIBSDKEI-LJQANCHMSA-N -1 3 390.491 3.517 20 0 GHADHM CC[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736331355 598734366 /nfs/dbraw/zinc/73/43/66/598734366.db2.gz JEMNBOMRHWKTMA-QGZVFWFLSA-N -1 3 375.476 3.942 20 0 GHADHM CC[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736331355 598734368 /nfs/dbraw/zinc/73/43/68/598734368.db2.gz JEMNBOMRHWKTMA-QGZVFWFLSA-N -1 3 375.476 3.942 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)c21 ZINC000737407238 598734985 /nfs/dbraw/zinc/73/49/85/598734985.db2.gz BGHTYDYCOMAAIU-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)c21 ZINC000737407238 598734986 /nfs/dbraw/zinc/73/49/86/598734986.db2.gz BGHTYDYCOMAAIU-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1-c1nnn[n-]1 ZINC000736676389 598737548 /nfs/dbraw/zinc/73/75/48/598737548.db2.gz SZKMZDKENMSTEV-UHFFFAOYSA-N -1 3 380.477 3.770 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1-c1nn[n-]n1 ZINC000736676389 598737550 /nfs/dbraw/zinc/73/75/50/598737550.db2.gz SZKMZDKENMSTEV-UHFFFAOYSA-N -1 3 380.477 3.770 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC[C@@H]1CCc2ccccc21 ZINC000737840933 598740597 /nfs/dbraw/zinc/74/05/97/598740597.db2.gz FUGQVMGEPAUFIR-SFHVURJKSA-N -1 3 392.459 3.689 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC[C@@H]1CCc2ccccc21 ZINC000737840933 598740598 /nfs/dbraw/zinc/74/05/98/598740598.db2.gz FUGQVMGEPAUFIR-SFHVURJKSA-N -1 3 392.459 3.689 20 0 GHADHM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736136102 598747561 /nfs/dbraw/zinc/74/75/61/598747561.db2.gz FIDZGDBYMYBYMB-RXMQYKEDSA-N -1 3 381.252 3.679 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccsc1)c1ccccc1 ZINC000737895087 598751778 /nfs/dbraw/zinc/75/17/78/598751778.db2.gz LGFVMFBEGSITQL-UHFFFAOYSA-N -1 3 390.472 3.574 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737418475 598759361 /nfs/dbraw/zinc/75/93/61/598759361.db2.gz BBZFDPGPDXTUOR-LJQANCHMSA-N -1 3 378.480 3.714 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737418475 598759363 /nfs/dbraw/zinc/75/93/63/598759363.db2.gz BBZFDPGPDXTUOR-LJQANCHMSA-N -1 3 378.480 3.714 20 0 GHADHM Brc1ccc(-c2c[nH]c(C=Cc3ccc(-c4nnn[n-]4)cn3)n2)cc1 ZINC000735369813 598761297 /nfs/dbraw/zinc/76/12/97/598761297.db2.gz XIRSJCBOECFSFA-FPLPWBNLSA-N -1 3 394.236 3.585 20 0 GHADHM Brc1ccc(-c2c[nH]c(C=Cc3ccc(-c4nn[n-]n4)cn3)n2)cc1 ZINC000735369813 598761299 /nfs/dbraw/zinc/76/12/99/598761299.db2.gz XIRSJCBOECFSFA-FPLPWBNLSA-N -1 3 394.236 3.585 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736354085 598763105 /nfs/dbraw/zinc/76/31/05/598763105.db2.gz QMSQSDJYEOYIJH-IBGZPJMESA-N -1 3 377.492 3.873 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736354085 598763107 /nfs/dbraw/zinc/76/31/07/598763107.db2.gz QMSQSDJYEOYIJH-IBGZPJMESA-N -1 3 377.492 3.873 20 0 GHADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)s1 ZINC000737490745 598763863 /nfs/dbraw/zinc/76/38/63/598763863.db2.gz WTWFJJOMKUJWQF-BQYQJAHWSA-N -1 3 386.506 3.614 20 0 GHADHM Cc1ncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)s1 ZINC000737490745 598763864 /nfs/dbraw/zinc/76/38/64/598763864.db2.gz WTWFJJOMKUJWQF-BQYQJAHWSA-N -1 3 386.506 3.614 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737419135 598764681 /nfs/dbraw/zinc/76/46/81/598764681.db2.gz CSNSEYHUJUGZMO-JXFKEZNVSA-N -1 3 393.491 3.846 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736271429 598770201 /nfs/dbraw/zinc/77/02/01/598770201.db2.gz NKPCSCJCKXUKJS-ZBEGNZNMSA-N -1 3 388.422 3.700 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736271429 598770203 /nfs/dbraw/zinc/77/02/03/598770203.db2.gz NKPCSCJCKXUKJS-ZBEGNZNMSA-N -1 3 388.422 3.700 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735589762 598777796 /nfs/dbraw/zinc/77/77/96/598777796.db2.gz OERKHOQMBJBSIE-KRWDZBQOSA-N -1 3 398.442 3.621 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735589762 598777797 /nfs/dbraw/zinc/77/77/97/598777797.db2.gz OERKHOQMBJBSIE-KRWDZBQOSA-N -1 3 398.442 3.621 20 0 GHADHM C[C@@H]1Cc2ccccc2N(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736297448 598788749 /nfs/dbraw/zinc/78/87/49/598788749.db2.gz MMWKCQJXGXRAJC-LLVKDONJSA-N -1 3 384.896 3.916 20 0 GHADHM C[C@@H]1Cc2ccccc2N(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736297448 598788750 /nfs/dbraw/zinc/78/87/50/598788750.db2.gz MMWKCQJXGXRAJC-LLVKDONJSA-N -1 3 384.896 3.916 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cc(-c3nnn[n-]3)ccc2OC)n1 ZINC000821449381 607368938 /nfs/dbraw/zinc/36/89/38/607368938.db2.gz SQVKQVQHUMYVHD-SNVBAGLBSA-N -1 3 392.510 3.506 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cc(-c3nn[n-]n3)ccc2OC)n1 ZINC000821449381 607368940 /nfs/dbraw/zinc/36/89/40/607368940.db2.gz SQVKQVQHUMYVHD-SNVBAGLBSA-N -1 3 392.510 3.506 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737504321 598791985 /nfs/dbraw/zinc/79/19/85/598791985.db2.gz STUNBKNQVQYHCV-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737504321 598791987 /nfs/dbraw/zinc/79/19/87/598791987.db2.gz STUNBKNQVQYHCV-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000738380926 598795519 /nfs/dbraw/zinc/79/55/19/598795519.db2.gz DOVRDIFOOPGVKN-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000738380926 598795517 /nfs/dbraw/zinc/79/55/17/598795517.db2.gz DOVRDIFOOPGVKN-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CC(C)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735704103 598803754 /nfs/dbraw/zinc/80/37/54/598803754.db2.gz ZWQVIYRHYRVEKZ-HNNXBMFYSA-N -1 3 381.455 3.827 20 0 GHADHM CC(C)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735704103 598803755 /nfs/dbraw/zinc/80/37/55/598803755.db2.gz ZWQVIYRHYRVEKZ-HNNXBMFYSA-N -1 3 381.455 3.827 20 0 GHADHM Cc1c2cccc(C)c2oc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737209444 598808752 /nfs/dbraw/zinc/80/87/52/598808752.db2.gz PTGVJFZRIQWSEU-UHFFFAOYSA-N -1 3 399.414 3.668 20 0 GHADHM Cc1cc(N(Cc2cccnc2)C2CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270236 598815208 /nfs/dbraw/zinc/81/52/08/598815208.db2.gz LVEBMPMGVPDFHA-UHFFFAOYSA-N -1 3 396.458 3.540 20 0 GHADHM Cc1cc(N(Cc2cccnc2)C2CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270236 598815210 /nfs/dbraw/zinc/81/52/10/598815210.db2.gz LVEBMPMGVPDFHA-UHFFFAOYSA-N -1 3 396.458 3.540 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000737221326 598819006 /nfs/dbraw/zinc/81/90/06/598819006.db2.gz IUFZIFIRSCVLOZ-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM CCOc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1C ZINC000736626835 598822711 /nfs/dbraw/zinc/82/27/11/598822711.db2.gz LVPKOLGBGAPIEY-UHFFFAOYSA-N -1 3 381.436 3.613 20 0 GHADHM CCOc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1C ZINC000736626835 598822712 /nfs/dbraw/zinc/82/27/12/598822712.db2.gz LVPKOLGBGAPIEY-UHFFFAOYSA-N -1 3 381.436 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccccc2OC2CCC2)n1 ZINC000737635451 599305949 /nfs/dbraw/zinc/30/59/49/599305949.db2.gz GLGXGOJIVCZSLM-UHFFFAOYSA-N -1 3 390.369 3.824 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccccc2OC2CCC2)n1 ZINC000737635451 599305950 /nfs/dbraw/zinc/30/59/50/599305950.db2.gz GLGXGOJIVCZSLM-UHFFFAOYSA-N -1 3 390.369 3.824 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccccc2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505113 599308745 /nfs/dbraw/zinc/30/87/45/599308745.db2.gz HCQGZXPCCLSUFS-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccccc2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505113 599308748 /nfs/dbraw/zinc/30/87/48/599308748.db2.gz HCQGZXPCCLSUFS-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140341 599324717 /nfs/dbraw/zinc/32/47/17/599324717.db2.gz UGPFIZLDYGNXQH-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140341 599324718 /nfs/dbraw/zinc/32/47/18/599324718.db2.gz UGPFIZLDYGNXQH-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccc(C)o2)n1 ZINC000736634145 599328096 /nfs/dbraw/zinc/32/80/96/599328096.db2.gz ITWHZULWGVEPFZ-UHFFFAOYSA-N -1 3 382.449 3.902 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736188604 599330456 /nfs/dbraw/zinc/33/04/56/599330456.db2.gz LPCRYBAAOGFJJS-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736188604 599330457 /nfs/dbraw/zinc/33/04/57/599330457.db2.gz LPCRYBAAOGFJJS-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191854 599330972 /nfs/dbraw/zinc/33/09/72/599330972.db2.gz XFONOUTYNATRTJ-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191854 599330974 /nfs/dbraw/zinc/33/09/74/599330974.db2.gz XFONOUTYNATRTJ-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000737895692 599331509 /nfs/dbraw/zinc/33/15/09/599331509.db2.gz PUCKOQGDESPZPI-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000737895692 599331511 /nfs/dbraw/zinc/33/15/11/599331511.db2.gz PUCKOQGDESPZPI-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM Ic1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000822796765 599345687 /nfs/dbraw/zinc/34/56/87/599345687.db2.gz XZHMHPQUNVPIRX-UHFFFAOYSA-N -1 3 394.241 3.764 20 0 GHADHM Ic1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000822796765 599345690 /nfs/dbraw/zinc/34/56/90/599345690.db2.gz XZHMHPQUNVPIRX-UHFFFAOYSA-N -1 3 394.241 3.764 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000820316952 599346503 /nfs/dbraw/zinc/34/65/03/599346503.db2.gz XWXMBVLRXPCSCR-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000820316952 599346506 /nfs/dbraw/zinc/34/65/06/599346506.db2.gz XWXMBVLRXPCSCR-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CCOCc1ccccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000736624700 599361740 /nfs/dbraw/zinc/36/17/40/599361740.db2.gz DRCYHISXZCCDIU-UHFFFAOYSA-N -1 3 388.269 3.778 20 0 GHADHM CCOCc1ccccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000736624700 599361742 /nfs/dbraw/zinc/36/17/42/599361742.db2.gz DRCYHISXZCCDIU-UHFFFAOYSA-N -1 3 388.269 3.778 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)n1cccc1 ZINC000735974894 599371982 /nfs/dbraw/zinc/37/19/82/599371982.db2.gz DBKFVYYIHYHBOE-ZDUSSCGKSA-N -1 3 384.509 3.979 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)n1cccc1 ZINC000735974894 599371985 /nfs/dbraw/zinc/37/19/85/599371985.db2.gz DBKFVYYIHYHBOE-ZDUSSCGKSA-N -1 3 384.509 3.979 20 0 GHADHM CC(C)c1ccc(CCNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192147 599398725 /nfs/dbraw/zinc/39/87/25/599398725.db2.gz FKXQVWYMWMOCBC-OAHLLOKOSA-N -1 3 378.480 3.593 20 0 GHADHM CC(C)c1ccc(CCNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192147 599398731 /nfs/dbraw/zinc/39/87/31/599398731.db2.gz FKXQVWYMWMOCBC-OAHLLOKOSA-N -1 3 378.480 3.593 20 0 GHADHM CN(CCOc1ccccc1Cl)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736804403 599399269 /nfs/dbraw/zinc/39/92/69/599399269.db2.gz NANQJVDKYVEXRL-UHFFFAOYSA-N -1 3 380.839 3.584 20 0 GHADHM CN(CCOc1ccccc1Cl)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736804403 599399272 /nfs/dbraw/zinc/39/92/72/599399272.db2.gz NANQJVDKYVEXRL-UHFFFAOYSA-N -1 3 380.839 3.584 20 0 GHADHM CCCOc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000736491629 599406135 /nfs/dbraw/zinc/40/61/35/599406135.db2.gz WISSVIRNLWSSSB-UHFFFAOYSA-N -1 3 390.447 3.824 20 0 GHADHM CCCOc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000736491629 599406136 /nfs/dbraw/zinc/40/61/36/599406136.db2.gz WISSVIRNLWSSSB-UHFFFAOYSA-N -1 3 390.447 3.824 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299531 599410907 /nfs/dbraw/zinc/41/09/07/599410907.db2.gz LWQNPWSFDCUSMF-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299531 599410909 /nfs/dbraw/zinc/41/09/09/599410909.db2.gz LWQNPWSFDCUSMF-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664438 599417328 /nfs/dbraw/zinc/41/73/28/599417328.db2.gz AAWPFZTZJQSANT-UUWFMWQGSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664438 599417330 /nfs/dbraw/zinc/41/73/30/599417330.db2.gz AAWPFZTZJQSANT-UUWFMWQGSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000820350466 599422144 /nfs/dbraw/zinc/42/21/44/599422144.db2.gz LDTUFBFQVAKSLI-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000820350466 599422147 /nfs/dbraw/zinc/42/21/47/599422147.db2.gz LDTUFBFQVAKSLI-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM Cc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1Oc1ccc(F)cc1 ZINC000822200908 599440508 /nfs/dbraw/zinc/44/05/08/599440508.db2.gz IENVQEJFIPEKSF-UHFFFAOYSA-N -1 3 379.395 3.989 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000821105020 599447749 /nfs/dbraw/zinc/44/77/49/599447749.db2.gz VQVWUVMFPAYSLV-KNQAVFIVSA-N -1 3 390.491 3.519 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000821105020 599447751 /nfs/dbraw/zinc/44/77/51/599447751.db2.gz VQVWUVMFPAYSLV-KNQAVFIVSA-N -1 3 390.491 3.519 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000821104648 599447970 /nfs/dbraw/zinc/44/79/70/599447970.db2.gz LNSHQYLUAQJQKQ-MOPGFXCFSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000821104648 599447973 /nfs/dbraw/zinc/44/79/73/599447973.db2.gz LNSHQYLUAQJQKQ-MOPGFXCFSA-N -1 3 382.512 3.757 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736109897 599453008 /nfs/dbraw/zinc/45/30/08/599453008.db2.gz BUGZXEZRYLZFFQ-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736109897 599453012 /nfs/dbraw/zinc/45/30/12/599453012.db2.gz BUGZXEZRYLZFFQ-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2ccccc2c1 ZINC000820365452 599462574 /nfs/dbraw/zinc/46/25/74/599462574.db2.gz JQDAXWPWLRTJKT-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2ccccc2c1 ZINC000820365452 599462577 /nfs/dbraw/zinc/46/25/77/599462577.db2.gz JQDAXWPWLRTJKT-CYBMUJFWSA-N -1 3 390.422 3.719 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1Br ZINC000821777351 599467471 /nfs/dbraw/zinc/46/74/71/599467471.db2.gz DOYIJSVDHMRJKN-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1Br ZINC000821777351 599467473 /nfs/dbraw/zinc/46/74/73/599467473.db2.gz DOYIJSVDHMRJKN-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820668604 599477111 /nfs/dbraw/zinc/47/71/11/599477111.db2.gz VFTIRBBNEWEMFB-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820668604 599477113 /nfs/dbraw/zinc/47/71/13/599477113.db2.gz VFTIRBBNEWEMFB-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339617 599477783 /nfs/dbraw/zinc/47/77/83/599477783.db2.gz FBAPHEMKIRQDRI-CQSZACIVSA-N -1 3 392.419 3.526 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339617 599477785 /nfs/dbraw/zinc/47/77/85/599477785.db2.gz FBAPHEMKIRQDRI-CQSZACIVSA-N -1 3 392.419 3.526 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352120 599478635 /nfs/dbraw/zinc/47/86/35/599478635.db2.gz SFEKMACZRLPUTE-UGSOOPFHSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352120 599478638 /nfs/dbraw/zinc/47/86/38/599478638.db2.gz SFEKMACZRLPUTE-UGSOOPFHSA-N -1 3 380.427 3.614 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482094 599481390 /nfs/dbraw/zinc/48/13/90/599481390.db2.gz PXZFBRXAYXVSRB-DYVFJYSZSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482094 599481392 /nfs/dbraw/zinc/48/13/92/599481392.db2.gz PXZFBRXAYXVSRB-DYVFJYSZSA-N -1 3 380.452 3.630 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820349833 599482961 /nfs/dbraw/zinc/48/29/61/599482961.db2.gz IYQXOORMGMCPNG-KUHUBIRLSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820349833 599482964 /nfs/dbraw/zinc/48/29/64/599482964.db2.gz IYQXOORMGMCPNG-KUHUBIRLSA-N -1 3 396.470 3.633 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738151952 599499738 /nfs/dbraw/zinc/49/97/38/599499738.db2.gz LYDBVSNYKUTTQX-QGZVFWFLSA-N -1 3 382.855 3.663 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738151952 599499740 /nfs/dbraw/zinc/49/97/40/599499740.db2.gz LYDBVSNYKUTTQX-QGZVFWFLSA-N -1 3 382.855 3.663 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113645 599500522 /nfs/dbraw/zinc/50/05/22/599500522.db2.gz RAIQFOCGWZEXBI-RHSMWYFYSA-N -1 3 380.452 3.848 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113645 599500524 /nfs/dbraw/zinc/50/05/24/599500524.db2.gz RAIQFOCGWZEXBI-RHSMWYFYSA-N -1 3 380.452 3.848 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182340 599502973 /nfs/dbraw/zinc/50/29/73/599502973.db2.gz OEELYDBPQCRLTF-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182340 599502976 /nfs/dbraw/zinc/50/29/76/599502976.db2.gz OEELYDBPQCRLTF-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821139229 599505066 /nfs/dbraw/zinc/50/50/66/599505066.db2.gz QZEXYZGEUKQXJY-OAHLLOKOSA-N -1 3 391.475 3.660 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821139229 599505069 /nfs/dbraw/zinc/50/50/69/599505069.db2.gz QZEXYZGEUKQXJY-OAHLLOKOSA-N -1 3 391.475 3.660 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)cc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820389873 599506820 /nfs/dbraw/zinc/50/68/20/599506820.db2.gz AOGIAXSJKFLGOV-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)cc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820389873 599506821 /nfs/dbraw/zinc/50/68/21/599506821.db2.gz AOGIAXSJKFLGOV-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314011 599518412 /nfs/dbraw/zinc/51/84/12/599518412.db2.gz GTCSQSJEFKUFRG-QRWLVFNGSA-N -1 3 391.475 3.744 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314011 599518414 /nfs/dbraw/zinc/51/84/14/599518414.db2.gz GTCSQSJEFKUFRG-QRWLVFNGSA-N -1 3 391.475 3.744 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCCO[C@@H](c2ccccc2)C1 ZINC000737626791 599524954 /nfs/dbraw/zinc/52/49/54/599524954.db2.gz LIYAKXOMROZFOA-QGZVFWFLSA-N -1 3 389.381 3.854 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1F ZINC000737090971 599524991 /nfs/dbraw/zinc/52/49/91/599524991.db2.gz YKLMOZHQMYXCGK-UHFFFAOYSA-N -1 3 381.333 3.688 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822229489 599526653 /nfs/dbraw/zinc/52/66/53/599526653.db2.gz VTCLTLKSLQVFSC-JKSUJKDBSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822229489 599526655 /nfs/dbraw/zinc/52/66/55/599526655.db2.gz VTCLTLKSLQVFSC-JKSUJKDBSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402659 599534412 /nfs/dbraw/zinc/53/44/12/599534412.db2.gz DZLMLGXGJRVLCZ-LLVKDONJSA-N -1 3 394.435 3.620 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402659 599534415 /nfs/dbraw/zinc/53/44/15/599534415.db2.gz DZLMLGXGJRVLCZ-LLVKDONJSA-N -1 3 394.435 3.620 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000822213769 599535568 /nfs/dbraw/zinc/53/55/68/599535568.db2.gz ACHDHVSNRTVBOP-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000822213769 599535569 /nfs/dbraw/zinc/53/55/69/599535569.db2.gz ACHDHVSNRTVBOP-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402072 599539648 /nfs/dbraw/zinc/53/96/48/599539648.db2.gz CHYNOKJLIAGCJW-NSHDSACASA-N -1 3 394.435 3.620 20 0 GHADHM C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402072 599539649 /nfs/dbraw/zinc/53/96/49/599539649.db2.gz CHYNOKJLIAGCJW-NSHDSACASA-N -1 3 394.435 3.620 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737547519 599540232 /nfs/dbraw/zinc/54/02/32/599540232.db2.gz KENXBONCOXZFET-UHFFFAOYSA-N -1 3 398.423 3.900 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737547519 599540235 /nfs/dbraw/zinc/54/02/35/599540235.db2.gz KENXBONCOXZFET-UHFFFAOYSA-N -1 3 398.423 3.900 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501179 599542161 /nfs/dbraw/zinc/54/21/61/599542161.db2.gz AEYJAVQFPRPDDR-GJZGRUSLSA-N -1 3 381.455 3.794 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501179 599542163 /nfs/dbraw/zinc/54/21/63/599542163.db2.gz AEYJAVQFPRPDDR-GJZGRUSLSA-N -1 3 381.455 3.794 20 0 GHADHM C[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404451 599545480 /nfs/dbraw/zinc/54/54/80/599545480.db2.gz VOLCFZCOHRAFFX-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404451 599545481 /nfs/dbraw/zinc/54/54/81/599545481.db2.gz VOLCFZCOHRAFFX-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccccc1Oc1cccnc1 ZINC000826252598 607383619 /nfs/dbraw/zinc/38/36/19/607383619.db2.gz JWRCBCSONPZEKU-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccccc1Oc1cccnc1 ZINC000826252598 607383620 /nfs/dbraw/zinc/38/36/20/607383620.db2.gz JWRCBCSONPZEKU-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820717890 599550667 /nfs/dbraw/zinc/55/06/67/599550667.db2.gz YGEXLSDDVUPYBM-CZUORRHYSA-N -1 3 383.477 3.552 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820717890 599550669 /nfs/dbraw/zinc/55/06/69/599550669.db2.gz YGEXLSDDVUPYBM-CZUORRHYSA-N -1 3 383.477 3.552 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820937762 599557774 /nfs/dbraw/zinc/55/77/74/599557774.db2.gz CSIAUJDYIBDBEQ-FFSVYQOJSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820937762 599557777 /nfs/dbraw/zinc/55/77/77/599557777.db2.gz CSIAUJDYIBDBEQ-FFSVYQOJSA-N -1 3 377.876 3.833 20 0 GHADHM CCCc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000736497420 599568854 /nfs/dbraw/zinc/56/88/54/599568854.db2.gz PAMASFURLYSYRD-UHFFFAOYSA-N -1 3 388.435 3.538 20 0 GHADHM Cc1cccc2c(CCNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)c[nH]c21 ZINC000822332328 599580099 /nfs/dbraw/zinc/58/00/99/599580099.db2.gz OOPHNOXAOQVGDY-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM Cc1cccc2c(CCNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)c[nH]c21 ZINC000822332328 599580102 /nfs/dbraw/zinc/58/01/02/599580102.db2.gz OOPHNOXAOQVGDY-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM C[C@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)OC(C)(C)C ZINC000736137306 599598403 /nfs/dbraw/zinc/59/84/03/599598403.db2.gz LCXOEKPZPXKNLG-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OC(C)(C)C ZINC000736137306 599598405 /nfs/dbraw/zinc/59/84/05/599598405.db2.gz LCXOEKPZPXKNLG-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@H](Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136154 599598441 /nfs/dbraw/zinc/59/84/41/599598441.db2.gz DIRGLCLYSHWHOH-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H](Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OC(C)(C)C ZINC000736136154 599598444 /nfs/dbraw/zinc/59/84/44/599598444.db2.gz DIRGLCLYSHWHOH-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737334381 599609061 /nfs/dbraw/zinc/60/90/61/599609061.db2.gz GWDFNIIHVVGKMN-CYBMUJFWSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737334381 599609063 /nfs/dbraw/zinc/60/90/63/599609063.db2.gz GWDFNIIHVVGKMN-CYBMUJFWSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737330932 599611936 /nfs/dbraw/zinc/61/19/36/599611936.db2.gz OEUJKYZUAAQTMB-QGZVFWFLSA-N -1 3 380.452 3.595 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737330932 599611937 /nfs/dbraw/zinc/61/19/37/599611937.db2.gz OEUJKYZUAAQTMB-QGZVFWFLSA-N -1 3 380.452 3.595 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737328645 599613165 /nfs/dbraw/zinc/61/31/65/599613165.db2.gz GPTAOIUARSOBGV-OXJNMPFZSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737328645 599613167 /nfs/dbraw/zinc/61/31/67/599613167.db2.gz GPTAOIUARSOBGV-OXJNMPFZSA-N -1 3 390.491 3.858 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CCc1ccccc1F ZINC000821389963 599620719 /nfs/dbraw/zinc/62/07/19/599620719.db2.gz RTNWNDAAZWJMBH-ZDUSSCGKSA-N -1 3 384.411 3.579 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CCc1ccccc1F ZINC000821389963 599620720 /nfs/dbraw/zinc/62/07/20/599620720.db2.gz RTNWNDAAZWJMBH-ZDUSSCGKSA-N -1 3 384.411 3.579 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC000819907969 599629329 /nfs/dbraw/zinc/62/93/29/599629329.db2.gz VBCZWDVKHQUMOH-PWSUYJOCSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC000819907969 599629330 /nfs/dbraw/zinc/62/93/30/599629330.db2.gz VBCZWDVKHQUMOH-PWSUYJOCSA-N -1 3 391.566 3.913 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1SCCc2sccc21 ZINC000823331574 599630030 /nfs/dbraw/zinc/63/00/30/599630030.db2.gz FLMSWNUATCFAIJ-ZDUSSCGKSA-N -1 3 377.882 3.551 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1SCCc2sccc21 ZINC000823331574 599630031 /nfs/dbraw/zinc/63/00/31/599630031.db2.gz FLMSWNUATCFAIJ-ZDUSSCGKSA-N -1 3 377.882 3.551 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)O1 ZINC000820691423 599630105 /nfs/dbraw/zinc/63/01/05/599630105.db2.gz XEKABGZWWWTMFN-CHWSQXEVSA-N -1 3 389.525 3.873 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)O1 ZINC000820691423 599630106 /nfs/dbraw/zinc/63/01/06/599630106.db2.gz XEKABGZWWWTMFN-CHWSQXEVSA-N -1 3 389.525 3.873 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)O1 ZINC000820686078 599630342 /nfs/dbraw/zinc/63/03/42/599630342.db2.gz WYTBWDZXWVCDJH-AEFFLSMTSA-N -1 3 391.475 3.748 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)O1 ZINC000820686078 599630343 /nfs/dbraw/zinc/63/03/43/599630343.db2.gz WYTBWDZXWVCDJH-AEFFLSMTSA-N -1 3 391.475 3.748 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)s1 ZINC000821346218 599630499 /nfs/dbraw/zinc/63/04/99/599630499.db2.gz DULLIQYLDCABPG-MRVPVSSYSA-N -1 3 392.510 3.605 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)s1 ZINC000821346218 599630500 /nfs/dbraw/zinc/63/05/00/599630500.db2.gz DULLIQYLDCABPG-MRVPVSSYSA-N -1 3 392.510 3.605 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822945636 599632150 /nfs/dbraw/zinc/63/21/50/599632150.db2.gz MGPYWBSRLFRYSZ-LBPRGKRZSA-N -1 3 387.365 3.944 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822945636 599632151 /nfs/dbraw/zinc/63/21/51/599632151.db2.gz MGPYWBSRLFRYSZ-LBPRGKRZSA-N -1 3 387.365 3.944 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820294515 599633333 /nfs/dbraw/zinc/63/33/33/599633333.db2.gz UFRZZEGSYPOUGY-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820294515 599633334 /nfs/dbraw/zinc/63/33/34/599633334.db2.gz UFRZZEGSYPOUGY-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820299700 599633538 /nfs/dbraw/zinc/63/35/38/599633538.db2.gz JMBCNDYIZNXADY-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820299700 599633539 /nfs/dbraw/zinc/63/35/39/599633539.db2.gz JMBCNDYIZNXADY-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(Cl)c1 ZINC000821231171 599636695 /nfs/dbraw/zinc/63/66/95/599636695.db2.gz WZYHLURMQPIEDB-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(Cl)c1 ZINC000821231171 599636696 /nfs/dbraw/zinc/63/66/96/599636696.db2.gz WZYHLURMQPIEDB-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820966063 599655748 /nfs/dbraw/zinc/65/57/48/599655748.db2.gz BQTHCXCYBUYHSK-QAPCUYQASA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820966063 599655749 /nfs/dbraw/zinc/65/57/49/599655749.db2.gz BQTHCXCYBUYHSK-QAPCUYQASA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967752 599656092 /nfs/dbraw/zinc/65/60/92/599656092.db2.gz UZCCJUNEWBYORK-IFXJQAMLSA-N -1 3 376.464 3.871 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820902214 599661361 /nfs/dbraw/zinc/66/13/61/599661361.db2.gz IPWBPUUZWNLQDJ-HOCLYGCPSA-N -1 3 399.495 3.734 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820902214 599661362 /nfs/dbraw/zinc/66/13/62/599661362.db2.gz IPWBPUUZWNLQDJ-HOCLYGCPSA-N -1 3 399.495 3.734 20 0 GHADHM CC(C)CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820077076 599664540 /nfs/dbraw/zinc/66/45/40/599664540.db2.gz ZWMDQBWGLCZJDY-HNNXBMFYSA-N -1 3 394.479 3.731 20 0 GHADHM CC(C)CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820077076 599664541 /nfs/dbraw/zinc/66/45/41/599664541.db2.gz ZWMDQBWGLCZJDY-HNNXBMFYSA-N -1 3 394.479 3.731 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000819898868 599668896 /nfs/dbraw/zinc/66/88/96/599668896.db2.gz JLCLJWZCPJCAPF-QGZVFWFLSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000819898868 599668897 /nfs/dbraw/zinc/66/88/97/599668897.db2.gz JLCLJWZCPJCAPF-QGZVFWFLSA-N -1 3 382.443 3.592 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820358766 599669894 /nfs/dbraw/zinc/66/98/94/599669894.db2.gz OVKBNLFGSDSVRJ-XHDPSFHLSA-N -1 3 390.369 3.531 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820358766 599669895 /nfs/dbraw/zinc/66/98/95/599669895.db2.gz OVKBNLFGSDSVRJ-XHDPSFHLSA-N -1 3 390.369 3.531 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348128 599673692 /nfs/dbraw/zinc/67/36/92/599673692.db2.gz ADDPHTYEBSBVIL-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348128 599673693 /nfs/dbraw/zinc/67/36/93/599673693.db2.gz ADDPHTYEBSBVIL-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339980 599681899 /nfs/dbraw/zinc/68/18/99/599681899.db2.gz IGAKLIKCXNLRKV-HOTGVXAUSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339980 599681900 /nfs/dbraw/zinc/68/19/00/599681900.db2.gz IGAKLIKCXNLRKV-HOTGVXAUSA-N -1 3 390.491 3.938 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275904 599684882 /nfs/dbraw/zinc/68/48/82/599684882.db2.gz ZTJNPKIYGSQPNU-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275904 599684883 /nfs/dbraw/zinc/68/48/83/599684883.db2.gz ZTJNPKIYGSQPNU-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM COc1ccc(CCCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821790901 607398104 /nfs/dbraw/zinc/39/81/04/607398104.db2.gz WLCZVBFWABDRGP-UHFFFAOYSA-N -1 3 395.463 3.624 20 0 GHADHM COc1ccc(CCCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821790901 607398106 /nfs/dbraw/zinc/39/81/06/607398106.db2.gz WLCZVBFWABDRGP-UHFFFAOYSA-N -1 3 395.463 3.624 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000820169153 607402210 /nfs/dbraw/zinc/40/22/10/607402210.db2.gz GKYZMAIUOSDYEJ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000820169153 607402212 /nfs/dbraw/zinc/40/22/12/607402212.db2.gz GKYZMAIUOSDYEJ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000820159832 607403454 /nfs/dbraw/zinc/40/34/54/607403454.db2.gz AHMAISFUHAJOAI-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000820159832 607403456 /nfs/dbraw/zinc/40/34/56/607403456.db2.gz AHMAISFUHAJOAI-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000826427837 607414919 /nfs/dbraw/zinc/41/49/19/607414919.db2.gz CLYDZWRPSMMHON-UHFFFAOYSA-N -1 3 381.439 3.953 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000826427837 607414921 /nfs/dbraw/zinc/41/49/21/607414921.db2.gz CLYDZWRPSMMHON-UHFFFAOYSA-N -1 3 381.439 3.953 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824135626 607415311 /nfs/dbraw/zinc/41/53/11/607415311.db2.gz HZQITCPFCHSZEC-UHFFFAOYSA-N -1 3 375.476 3.512 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824135626 607415312 /nfs/dbraw/zinc/41/53/12/607415312.db2.gz HZQITCPFCHSZEC-UHFFFAOYSA-N -1 3 375.476 3.512 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000739374388 600084413 /nfs/dbraw/zinc/08/44/13/600084413.db2.gz UJOFMJRTIGWKNH-UHFFFAOYSA-N -1 3 382.435 3.581 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822232910 607428634 /nfs/dbraw/zinc/42/86/34/607428634.db2.gz DVBLXCKLEZYBQD-MRXNPFEDSA-N -1 3 396.451 3.924 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822232910 607428636 /nfs/dbraw/zinc/42/86/36/607428636.db2.gz DVBLXCKLEZYBQD-MRXNPFEDSA-N -1 3 396.451 3.924 20 0 GHADHM CCN(Cc1cccs1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821230188 607430435 /nfs/dbraw/zinc/43/04/35/607430435.db2.gz FHPQFQCFWBUEBU-UHFFFAOYSA-N -1 3 386.481 3.769 20 0 GHADHM CCN(Cc1cccs1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821230188 607430436 /nfs/dbraw/zinc/43/04/36/607430436.db2.gz FHPQFQCFWBUEBU-UHFFFAOYSA-N -1 3 386.481 3.769 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)cc1-c1nnn[n-]1 ZINC000820164197 607432412 /nfs/dbraw/zinc/43/24/12/607432412.db2.gz GYNWITMIJDJYDR-GFCCVEGCSA-N -1 3 398.492 3.867 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)cc1-c1nn[n-]n1 ZINC000820164197 607432415 /nfs/dbraw/zinc/43/24/15/607432415.db2.gz GYNWITMIJDJYDR-GFCCVEGCSA-N -1 3 398.492 3.867 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000824040635 607432827 /nfs/dbraw/zinc/43/28/27/607432827.db2.gz ROQGIMJEYYMQAR-NSHDSACASA-N -1 3 375.354 3.652 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000824040635 607432829 /nfs/dbraw/zinc/43/28/29/607432829.db2.gz ROQGIMJEYYMQAR-NSHDSACASA-N -1 3 375.354 3.652 20 0 GHADHM O=C([O-])c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)c(OC(F)F)c1 ZINC000740156054 600277351 /nfs/dbraw/zinc/27/73/51/600277351.db2.gz BIXMZQBDIARJEG-UHFFFAOYSA-N -1 3 390.386 3.834 20 0 GHADHM CN(C(=O)C=Cc1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812559 607441439 /nfs/dbraw/zinc/44/14/39/607441439.db2.gz MSBFXSDHDKLICU-FLIBITNWSA-N -1 3 390.834 3.745 20 0 GHADHM CN(C(=O)C=Cc1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812559 607441441 /nfs/dbraw/zinc/44/14/41/607441441.db2.gz MSBFXSDHDKLICU-FLIBITNWSA-N -1 3 390.834 3.745 20 0 GHADHM Cc1cc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c(C)o1 ZINC000738329344 600404992 /nfs/dbraw/zinc/40/49/92/600404992.db2.gz FWLFNMUHJPCOML-GOSISDBHSA-N -1 3 390.867 3.570 20 0 GHADHM O=C([O-])[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000738525290 600431031 /nfs/dbraw/zinc/43/10/31/600431031.db2.gz JNRDPAFGIPOFHL-QFIPXVFZSA-N -1 3 384.439 3.850 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccccc1 ZINC000740289177 600434019 /nfs/dbraw/zinc/43/40/19/600434019.db2.gz DAMOICSCHZLEHD-NRFANRHFSA-N -1 3 375.424 3.959 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429896 607448621 /nfs/dbraw/zinc/44/86/21/607448621.db2.gz PHIGTIFXYNQUBZ-IIDMSEBBSA-N -1 3 380.496 3.514 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429896 607448623 /nfs/dbraw/zinc/44/86/23/607448623.db2.gz PHIGTIFXYNQUBZ-IIDMSEBBSA-N -1 3 380.496 3.514 20 0 GHADHM Cc1oc(NC(=O)CN2CCCC[C@@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233979 607452793 /nfs/dbraw/zinc/45/27/93/607452793.db2.gz ZCYWHACGVHAZAW-QGZVFWFLSA-N -1 3 394.479 3.551 20 0 GHADHM Cc1oc(NC(=O)CN2CCCC[C@@H]2c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822233979 607452794 /nfs/dbraw/zinc/45/27/94/607452794.db2.gz ZCYWHACGVHAZAW-QGZVFWFLSA-N -1 3 394.479 3.551 20 0 GHADHM COC1CCC(N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC000737732879 600629055 /nfs/dbraw/zinc/62/90/55/600629055.db2.gz HAJZYFDSHVYFCN-UHFFFAOYSA-N -1 3 389.279 3.520 20 0 GHADHM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc2c(c1)CCCC2 ZINC000827727317 600690947 /nfs/dbraw/zinc/69/09/47/600690947.db2.gz IMQASZPARSPNRQ-ACJLOTCBSA-N -1 3 384.501 3.781 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000832914176 600694061 /nfs/dbraw/zinc/69/40/61/600694061.db2.gz BXEYMVAMEQHVQR-JKSUJKDBSA-N -1 3 392.459 3.557 20 0 GHADHM O=C([O-])[C@@H](NCCOc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000833167087 600739896 /nfs/dbraw/zinc/73/98/96/600739896.db2.gz XGNFBFXYSVCCBZ-INIZCTEOSA-N -1 3 384.215 3.516 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736813613 600747453 /nfs/dbraw/zinc/74/74/53/600747453.db2.gz FNCVEIKAAGQNEF-KRWDZBQOSA-N -1 3 396.491 3.583 20 0 GHADHM CN(C)Cc1cccc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c1 ZINC000737369992 600802016 /nfs/dbraw/zinc/80/20/16/600802016.db2.gz CABKICNMOHDQOD-UHFFFAOYSA-N -1 3 395.484 3.746 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832928097 600839164 /nfs/dbraw/zinc/83/91/64/600839164.db2.gz AYFUQVLKZWHVRC-QUCCMNQESA-N -1 3 380.488 3.924 20 0 GHADHM CCCc1c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000829550769 600961765 /nfs/dbraw/zinc/96/17/65/600961765.db2.gz XIGRVFPXUNABMP-MRXNPFEDSA-N -1 3 397.519 3.710 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC1(c2cccc(Br)c2)CC1 ZINC000822739986 607484259 /nfs/dbraw/zinc/48/42/59/607484259.db2.gz GAFSVZRMPJIOJO-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM CSc1cccc(N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CCN(C)CC2)c1 ZINC000832785030 601156538 /nfs/dbraw/zinc/15/65/38/601156538.db2.gz FXQULPCFSPUEPU-CVEARBPZSA-N -1 3 390.549 3.727 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CSCc1ccccc1 ZINC000821400607 607501048 /nfs/dbraw/zinc/50/10/48/607501048.db2.gz MHHUMZUMRYAXQQ-CQSZACIVSA-N -1 3 397.504 3.773 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CSCc1ccccc1 ZINC000821400607 607501050 /nfs/dbraw/zinc/50/10/50/607501050.db2.gz MHHUMZUMRYAXQQ-CQSZACIVSA-N -1 3 397.504 3.773 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN(Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000830363546 601415444 /nfs/dbraw/zinc/41/54/44/601415444.db2.gz UQLNKBVLKGJGHN-UHFFFAOYSA-N -1 3 387.476 3.855 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)cc1 ZINC000832944581 601821724 /nfs/dbraw/zinc/82/17/24/601821724.db2.gz IYPNOXYILGOHJA-HNNXBMFYSA-N -1 3 387.505 3.788 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000662216954 601844239 /nfs/dbraw/zinc/84/42/39/601844239.db2.gz BDUWJJUTPOIWGD-IRXDYDNUSA-N -1 3 382.504 3.982 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177118 602041784 /nfs/dbraw/zinc/04/17/84/602041784.db2.gz NKBPIMAGDUEBTD-JXFKEZNVSA-N -1 3 396.491 3.581 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000833156091 602132179 /nfs/dbraw/zinc/13/21/79/602132179.db2.gz AEURFMXPCDSYKR-HXUWFJFHSA-N -1 3 378.403 3.994 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])c1 ZINC000832050313 602165595 /nfs/dbraw/zinc/16/55/95/602165595.db2.gz OPVWVBGFGUXNJM-XCLFUZPHSA-N -1 3 398.459 3.529 20 0 GHADHM CN(CCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)[O-] ZINC000739698018 602293884 /nfs/dbraw/zinc/29/38/84/602293884.db2.gz FGLNAKUHYUWAAE-UHFFFAOYSA-N -1 3 396.274 3.945 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(Cl)cc(Br)c1 ZINC000826461505 607577067 /nfs/dbraw/zinc/57/70/67/607577067.db2.gz XSTGUVLEJLDJBL-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(Cl)cc(Br)c1 ZINC000826461505 607577069 /nfs/dbraw/zinc/57/70/69/607577069.db2.gz XSTGUVLEJLDJBL-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)CCC1 ZINC000824853040 607577211 /nfs/dbraw/zinc/57/72/11/607577211.db2.gz VPCDATLBHJJABR-UHFFFAOYSA-N -1 3 376.420 3.801 20 0 GHADHM CCC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825028888 607577280 /nfs/dbraw/zinc/57/72/80/607577280.db2.gz LBMMSNWCKNSYGD-SXWSKBOKSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825028888 607577282 /nfs/dbraw/zinc/57/72/82/607577282.db2.gz LBMMSNWCKNSYGD-SXWSKBOKSA-N -1 3 377.448 3.546 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380067 607578355 /nfs/dbraw/zinc/57/83/55/607578355.db2.gz NPVAVXGHCKNIOJ-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)cc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380067 607578356 /nfs/dbraw/zinc/57/83/56/607578356.db2.gz NPVAVXGHCKNIOJ-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)N2CCCC2)cc1 ZINC000830262331 602769258 /nfs/dbraw/zinc/76/92/58/602769258.db2.gz NOICMQOPNWESFK-FQEVSTJZSA-N -1 3 381.476 3.960 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740172262 603034557 /nfs/dbraw/zinc/03/45/57/603034557.db2.gz YLJPZKICSZNFPQ-UHFFFAOYSA-N -1 3 388.443 3.820 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739907225 603219184 /nfs/dbraw/zinc/21/91/84/603219184.db2.gz GJFUXIWBXWCOQW-UHFFFAOYSA-N -1 3 377.828 3.752 20 0 GHADHM O=C([O-])N1CCC[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000739926777 603245736 /nfs/dbraw/zinc/24/57/36/603245736.db2.gz LALRKWKVWZIVHZ-QGZVFWFLSA-N -1 3 375.856 3.546 20 0 GHADHM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000827939265 603885640 /nfs/dbraw/zinc/88/56/40/603885640.db2.gz VMBQPTTWQGODEL-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830182011 603886922 /nfs/dbraw/zinc/88/69/22/603886922.db2.gz MNHDNBMJPPJCDG-LJQANCHMSA-N -1 3 381.476 3.822 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828042484 603941091 /nfs/dbraw/zinc/94/10/91/603941091.db2.gz GAVKDTYNDNWJBN-UHFFFAOYSA-N -1 3 379.416 3.787 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H]1CCc2ccccc2C1 ZINC000825302044 607669527 /nfs/dbraw/zinc/66/95/27/607669527.db2.gz UIAGRQSJYJUFSB-IBGZPJMESA-N -1 3 375.476 3.585 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H]1CCc2ccccc2C1 ZINC000825302044 607669529 /nfs/dbraw/zinc/66/95/29/607669529.db2.gz UIAGRQSJYJUFSB-IBGZPJMESA-N -1 3 375.476 3.585 20 0 GHADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000832846905 604290554 /nfs/dbraw/zinc/29/05/54/604290554.db2.gz YFSLQYRAEZLOPO-GOSISDBHSA-N -1 3 383.492 3.533 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000826174402 607687000 /nfs/dbraw/zinc/68/70/00/607687000.db2.gz VKPMYNQOLJIFFO-UHFFFAOYSA-N -1 3 392.337 3.589 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000826174402 607687002 /nfs/dbraw/zinc/68/70/02/607687002.db2.gz VKPMYNQOLJIFFO-UHFFFAOYSA-N -1 3 392.337 3.589 20 0 GHADHM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000263563850 604421833 /nfs/dbraw/zinc/42/18/33/604421833.db2.gz DOOMESNVVWMXAF-MRXNPFEDSA-N -1 3 381.295 3.869 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824281026 607692718 /nfs/dbraw/zinc/69/27/18/607692718.db2.gz XPUOADUSQXRQLE-UHFFFAOYSA-N -1 3 377.492 3.656 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824281026 607692719 /nfs/dbraw/zinc/69/27/19/607692719.db2.gz XPUOADUSQXRQLE-UHFFFAOYSA-N -1 3 377.492 3.656 20 0 GHADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1(C(=O)[O-])CCCC1 ZINC000830879609 604455031 /nfs/dbraw/zinc/45/50/31/604455031.db2.gz ROUWLXINUOTGHH-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1(C(=O)[O-])CCCC1 ZINC000830879609 604455034 /nfs/dbraw/zinc/45/50/34/604455034.db2.gz ROUWLXINUOTGHH-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1(C(=O)[O-])CCCC1 ZINC000830879609 604455035 /nfs/dbraw/zinc/45/50/35/604455035.db2.gz ROUWLXINUOTGHH-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000832040392 604458761 /nfs/dbraw/zinc/45/87/61/604458761.db2.gz FKUHWORFZRDTPG-QGZVFWFLSA-N -1 3 383.366 3.980 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000578329369 604476065 /nfs/dbraw/zinc/47/60/65/604476065.db2.gz ADQLCLDHJYQHEI-HXUWFJFHSA-N -1 3 389.423 3.512 20 0 GHADHM CCN(C(=O)CCc1ccc(F)cc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372211 607705009 /nfs/dbraw/zinc/70/50/09/607705009.db2.gz SCOUJTQMHZKJDM-CYBMUJFWSA-N -1 3 385.418 3.687 20 0 GHADHM CCN(C(=O)CCc1ccc(F)cc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372211 607705012 /nfs/dbraw/zinc/70/50/12/607705012.db2.gz SCOUJTQMHZKJDM-CYBMUJFWSA-N -1 3 385.418 3.687 20 0 GHADHM COc1cc(N[C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)cc(OC)c1 ZINC000832025841 604801144 /nfs/dbraw/zinc/80/11/44/604801144.db2.gz FHUKBECOTUKXEL-CYBMUJFWSA-N -1 3 376.478 3.540 20 0 GHADHM C[C@]1(NCc2nnc(-c3ccccc3Br)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568945 604814892 /nfs/dbraw/zinc/81/48/92/604814892.db2.gz JAIWLYDQTQCLMP-SJCJKPOMSA-N -1 3 394.269 3.622 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000833417088 604928094 /nfs/dbraw/zinc/92/80/94/604928094.db2.gz LOTDOHFLVCLORL-KRWDZBQOSA-N -1 3 384.476 3.636 20 0 GHADHM CC1(C)CCC(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000824795621 607724720 /nfs/dbraw/zinc/72/47/20/607724720.db2.gz AYJGGEAJQOFXHE-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccs1 ZINC000833422512 604949008 /nfs/dbraw/zinc/94/90/08/604949008.db2.gz FHDAQAAZMSCMOL-RHSMWYFYSA-N -1 3 380.554 3.774 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000833417983 604954478 /nfs/dbraw/zinc/95/44/78/604954478.db2.gz ZWUYOEHVSBAOEE-HOCLYGCPSA-N -1 3 398.425 3.634 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824801079 607726415 /nfs/dbraw/zinc/72/64/15/607726415.db2.gz ACPXUBBNKGKHKQ-HNNXBMFYSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824801079 607726417 /nfs/dbraw/zinc/72/64/17/607726417.db2.gz ACPXUBBNKGKHKQ-HNNXBMFYSA-N -1 3 396.451 3.566 20 0 GHADHM COc1ccc(C[C@@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccc(OC)cc2)cc1 ZINC000832287286 604987446 /nfs/dbraw/zinc/98/74/46/604987446.db2.gz LVKBKOSLWNAGQB-YADHBBJMSA-N -1 3 392.455 3.798 20 0 GHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000825501046 605117952 /nfs/dbraw/zinc/11/79/52/605117952.db2.gz AZTOMZYXEGQUFV-HUUCEWRRSA-N -1 3 383.448 3.823 20 0 GHADHM CC(C)(C)c1nc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cs1 ZINC000833450843 605218752 /nfs/dbraw/zinc/21/87/52/605218752.db2.gz MBERCMKRWVZFPQ-NRFANRHFSA-N -1 3 387.549 3.650 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000833538990 605310218 /nfs/dbraw/zinc/31/02/18/605310218.db2.gz FITWXIUBJCUCEY-ZFWWWQNUSA-N -1 3 397.397 3.591 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824915117 607758398 /nfs/dbraw/zinc/75/83/98/607758398.db2.gz BEAIKYKNCHORSE-TYILLQQXSA-N -1 3 376.464 3.866 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824915117 607758399 /nfs/dbraw/zinc/75/83/99/607758399.db2.gz BEAIKYKNCHORSE-TYILLQQXSA-N -1 3 376.464 3.866 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826434033 607762322 /nfs/dbraw/zinc/76/23/22/607762322.db2.gz ZUKXIWDCTPISKV-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826434033 607762323 /nfs/dbraw/zinc/76/23/23/607762323.db2.gz ZUKXIWDCTPISKV-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826426773 607768053 /nfs/dbraw/zinc/76/80/53/607768053.db2.gz WJPMDWBXCKAXGS-KRWDZBQOSA-N -1 3 396.882 3.967 20 0 GHADHM O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826426773 607768054 /nfs/dbraw/zinc/76/80/54/607768054.db2.gz WJPMDWBXCKAXGS-KRWDZBQOSA-N -1 3 396.882 3.967 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826433913 607769097 /nfs/dbraw/zinc/76/90/97/607769097.db2.gz VPIIKHNQJPXYRH-UHFFFAOYSA-N -1 3 375.432 3.579 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826433913 607769098 /nfs/dbraw/zinc/76/90/98/607769098.db2.gz VPIIKHNQJPXYRH-UHFFFAOYSA-N -1 3 375.432 3.579 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000824030166 607769303 /nfs/dbraw/zinc/76/93/03/607769303.db2.gz XRGQUEHOFUJQJX-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000824030166 607769304 /nfs/dbraw/zinc/76/93/04/607769304.db2.gz XRGQUEHOFUJQJX-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1F ZINC000824052533 607769309 /nfs/dbraw/zinc/76/93/09/607769309.db2.gz PCCKGHKEGOSNNG-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1F ZINC000824052533 607769310 /nfs/dbraw/zinc/76/93/10/607769310.db2.gz PCCKGHKEGOSNNG-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(F)cc1F ZINC000826459317 607769929 /nfs/dbraw/zinc/76/99/29/607769929.db2.gz FLSFFNDFAJQXHZ-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(F)cc1F ZINC000826459317 607769930 /nfs/dbraw/zinc/76/99/30/607769930.db2.gz FLSFFNDFAJQXHZ-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CCOc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000825632495 607770173 /nfs/dbraw/zinc/77/01/73/607770173.db2.gz VBFKIXSPUINYBV-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000825632495 607770174 /nfs/dbraw/zinc/77/01/74/607770174.db2.gz VBFKIXSPUINYBV-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCc1nc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000825746152 607770492 /nfs/dbraw/zinc/77/04/92/607770492.db2.gz SFXBOFHRQIYPHV-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1nc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000825746152 607770493 /nfs/dbraw/zinc/77/04/93/607770493.db2.gz SFXBOFHRQIYPHV-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM C[C@H](CCNC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000820240686 606028191 /nfs/dbraw/zinc/02/81/91/606028191.db2.gz CXFFJTDHDGRVMH-SNVBAGLBSA-N -1 3 395.410 3.871 20 0 GHADHM C[C@H](CCNC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000820240686 606028193 /nfs/dbraw/zinc/02/81/93/606028193.db2.gz CXFFJTDHDGRVMH-SNVBAGLBSA-N -1 3 395.410 3.871 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820989173 606052644 /nfs/dbraw/zinc/05/26/44/606052644.db2.gz NJIARQLBSSXLQK-PXNSSMCTSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820989173 606052649 /nfs/dbraw/zinc/05/26/49/606052649.db2.gz NJIARQLBSSXLQK-PXNSSMCTSA-N -1 3 390.491 3.592 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)s2)cc1 ZINC000821731884 606088020 /nfs/dbraw/zinc/08/80/20/606088020.db2.gz HWJFNWLAJRHZTJ-LLVKDONJSA-N -1 3 393.476 3.875 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)s2)cc1 ZINC000821731884 606088022 /nfs/dbraw/zinc/08/80/22/606088022.db2.gz HWJFNWLAJRHZTJ-LLVKDONJSA-N -1 3 393.476 3.875 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000820151486 606150342 /nfs/dbraw/zinc/15/03/42/606150342.db2.gz IYNBIKWUCIKQON-ONEGZZNKSA-N -1 3 381.411 3.835 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000820151486 606150344 /nfs/dbraw/zinc/15/03/44/606150344.db2.gz IYNBIKWUCIKQON-ONEGZZNKSA-N -1 3 381.411 3.835 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822028749 606151109 /nfs/dbraw/zinc/15/11/09/606151109.db2.gz RYPBUCFFCVDHPY-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822028749 606151111 /nfs/dbraw/zinc/15/11/11/606151111.db2.gz RYPBUCFFCVDHPY-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823303820 606154143 /nfs/dbraw/zinc/15/41/43/606154143.db2.gz WPDNDSMNRAPCSE-GHMZBOCLSA-N -1 3 380.374 3.539 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823303820 606154144 /nfs/dbraw/zinc/15/41/44/606154144.db2.gz WPDNDSMNRAPCSE-GHMZBOCLSA-N -1 3 380.374 3.539 20 0 GHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820570283 606159353 /nfs/dbraw/zinc/15/93/53/606159353.db2.gz GERHTEZHBKKXPH-AWEZNQCLSA-N -1 3 396.495 3.757 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222005 606179724 /nfs/dbraw/zinc/17/97/24/606179724.db2.gz NHKSJCSTXIPXPN-AWEZNQCLSA-N -1 3 399.495 3.849 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821222005 606179725 /nfs/dbraw/zinc/17/97/25/606179725.db2.gz NHKSJCSTXIPXPN-AWEZNQCLSA-N -1 3 399.495 3.849 20 0 GHADHM Cc1cncc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822399896 606190390 /nfs/dbraw/zinc/19/03/90/606190390.db2.gz OTWHHHATVLOMLL-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cncc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822399896 606190391 /nfs/dbraw/zinc/19/03/91/606190391.db2.gz OTWHHHATVLOMLL-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM O=C(OCc1cccnc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823430865 606237707 /nfs/dbraw/zinc/23/77/07/606237707.db2.gz KNGPJFLNRJQEAQ-UHFFFAOYSA-N -1 3 389.440 3.770 20 0 GHADHM O=C(OCc1cccnc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823430865 606237708 /nfs/dbraw/zinc/23/77/08/606237708.db2.gz KNGPJFLNRJQEAQ-UHFFFAOYSA-N -1 3 389.440 3.770 20 0 GHADHM O=C(NC1CCSCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823161992 606267732 /nfs/dbraw/zinc/26/77/32/606267732.db2.gz QSXXRAJVKPVXLX-UHFFFAOYSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(NC1CCSCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823161992 606267733 /nfs/dbraw/zinc/26/77/33/606267733.db2.gz QSXXRAJVKPVXLX-UHFFFAOYSA-N -1 3 397.529 3.643 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822229604 606268491 /nfs/dbraw/zinc/26/84/91/606268491.db2.gz XXBOUNXXSMVFCS-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822229604 606268493 /nfs/dbraw/zinc/26/84/93/606268493.db2.gz XXBOUNXXSMVFCS-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820534152 606269876 /nfs/dbraw/zinc/26/98/76/606269876.db2.gz JFYRJPBVYCTRDC-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820534152 606269878 /nfs/dbraw/zinc/26/98/78/606269878.db2.gz JFYRJPBVYCTRDC-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140561 606273123 /nfs/dbraw/zinc/27/31/23/606273123.db2.gz WSGTYGKRPIHIOT-NRFANRHFSA-N -1 3 394.438 3.867 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140561 606273125 /nfs/dbraw/zinc/27/31/25/606273125.db2.gz WSGTYGKRPIHIOT-NRFANRHFSA-N -1 3 394.438 3.867 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000821118695 606281315 /nfs/dbraw/zinc/28/13/15/606281315.db2.gz PMDATUYEAZIYMX-KGLIPLIRSA-N -1 3 398.417 3.709 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OCCC(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644471 606304019 /nfs/dbraw/zinc/30/40/19/606304019.db2.gz AHBQZSZLMNQTSW-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OCCC(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644471 606304021 /nfs/dbraw/zinc/30/40/21/606304021.db2.gz AHBQZSZLMNQTSW-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513170 606340932 /nfs/dbraw/zinc/34/09/32/606340932.db2.gz WMBWDCZBPVDMSO-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513170 606340934 /nfs/dbraw/zinc/34/09/34/606340934.db2.gz WMBWDCZBPVDMSO-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513074 606342605 /nfs/dbraw/zinc/34/26/05/606342605.db2.gz TXVAAJGMTMEBFR-HNNXBMFYSA-N -1 3 392.463 3.560 20 0 GHADHM C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513074 606342606 /nfs/dbraw/zinc/34/26/06/606342606.db2.gz TXVAAJGMTMEBFR-HNNXBMFYSA-N -1 3 392.463 3.560 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821477068 606343029 /nfs/dbraw/zinc/34/30/29/606343029.db2.gz XGEIRDUZSYDOMY-AWEZNQCLSA-N -1 3 378.480 3.725 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821477068 606343031 /nfs/dbraw/zinc/34/30/31/606343031.db2.gz XGEIRDUZSYDOMY-AWEZNQCLSA-N -1 3 378.480 3.725 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822232887 606352591 /nfs/dbraw/zinc/35/25/91/606352591.db2.gz CYHNPOCGCYHCDY-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822232887 606352592 /nfs/dbraw/zinc/35/25/92/606352592.db2.gz CYHNPOCGCYHCDY-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM COc1ccc(CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821790394 606357293 /nfs/dbraw/zinc/35/72/93/606357293.db2.gz NCQXAXUMMILAND-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccc(CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821790394 606357294 /nfs/dbraw/zinc/35/72/94/606357294.db2.gz NCQXAXUMMILAND-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM CCN(C(=O)c1cnc2ccccc2c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160868 606362307 /nfs/dbraw/zinc/36/23/07/606362307.db2.gz RPEHNIJHBTZDDB-HNNXBMFYSA-N -1 3 386.459 3.947 20 0 GHADHM CCN(C(=O)c1cnc2ccccc2c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160868 606362308 /nfs/dbraw/zinc/36/23/08/606362308.db2.gz RPEHNIJHBTZDDB-HNNXBMFYSA-N -1 3 386.459 3.947 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c(F)cc1F ZINC000822184483 606372736 /nfs/dbraw/zinc/37/27/36/606372736.db2.gz VOUNXEHLMUXMJL-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c(F)cc1F ZINC000822184483 606372738 /nfs/dbraw/zinc/37/27/38/606372738.db2.gz VOUNXEHLMUXMJL-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820870186 606382266 /nfs/dbraw/zinc/38/22/66/606382266.db2.gz OOXAIFODEVMSGZ-AWEZNQCLSA-N -1 3 395.467 3.954 20 0 GHADHM C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512751 606398039 /nfs/dbraw/zinc/39/80/39/606398039.db2.gz OHKFBBTXBGUEDM-CYBMUJFWSA-N -1 3 379.445 3.696 20 0 GHADHM C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512751 606398040 /nfs/dbraw/zinc/39/80/40/606398040.db2.gz OHKFBBTXBGUEDM-CYBMUJFWSA-N -1 3 379.445 3.696 20 0 GHADHM CN(C(=O)c1csc(-c2ccoc2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574774 606412476 /nfs/dbraw/zinc/41/24/76/606412476.db2.gz WLZIXNIEVYRZSX-UHFFFAOYSA-N -1 3 386.824 3.513 20 0 GHADHM CN(C(=O)c1csc(-c2ccoc2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574774 606412480 /nfs/dbraw/zinc/41/24/80/606412480.db2.gz WLZIXNIEVYRZSX-UHFFFAOYSA-N -1 3 386.824 3.513 20 0 GHADHM COc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccc(F)cc2)cc1 ZINC000821778143 606414596 /nfs/dbraw/zinc/41/45/96/606414596.db2.gz VLLJZGCBCFYKHE-LJQANCHMSA-N -1 3 395.463 3.955 20 0 GHADHM Fc1cccc(OC(F)F)c1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822791938 606420279 /nfs/dbraw/zinc/42/02/79/606420279.db2.gz NTCWMCJZUIDKJH-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM Fc1cccc(OC(F)F)c1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822791938 606420282 /nfs/dbraw/zinc/42/02/82/606420282.db2.gz NTCWMCJZUIDKJH-UHFFFAOYSA-N -1 3 386.337 3.768 20 0 GHADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000820456820 606428960 /nfs/dbraw/zinc/42/89/60/606428960.db2.gz WDDIVOJHAAFLCS-CYBMUJFWSA-N -1 3 398.898 3.654 20 0 GHADHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000820456820 606428962 /nfs/dbraw/zinc/42/89/62/606428962.db2.gz WDDIVOJHAAFLCS-CYBMUJFWSA-N -1 3 398.898 3.654 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000823488864 606439687 /nfs/dbraw/zinc/43/96/87/606439687.db2.gz WKDHICODXQFQGR-UHFFFAOYSA-N -1 3 381.486 3.832 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000823488864 606439688 /nfs/dbraw/zinc/43/96/88/606439688.db2.gz WKDHICODXQFQGR-UHFFFAOYSA-N -1 3 381.486 3.832 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822168591 606450969 /nfs/dbraw/zinc/45/09/69/606450969.db2.gz QDZKDSMFDXFKKB-UHFFFAOYSA-N -1 3 394.454 3.599 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822168591 606450971 /nfs/dbraw/zinc/45/09/71/606450971.db2.gz QDZKDSMFDXFKKB-UHFFFAOYSA-N -1 3 394.454 3.599 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1Cl ZINC000820432052 606479563 /nfs/dbraw/zinc/47/95/63/606479563.db2.gz LKAMTWHAXOLHIJ-SNVBAGLBSA-N -1 3 379.798 3.972 20 0 GHADHM CC(C)CN(C(=O)C1(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081885 606491973 /nfs/dbraw/zinc/49/19/73/606491973.db2.gz ZYMRDHRUFWDZFW-UHFFFAOYSA-N -1 3 375.476 3.879 20 0 GHADHM CC(C)CN(C(=O)C1(Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081885 606491974 /nfs/dbraw/zinc/49/19/74/606491974.db2.gz ZYMRDHRUFWDZFW-UHFFFAOYSA-N -1 3 375.476 3.879 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820563506 606492017 /nfs/dbraw/zinc/49/20/17/606492017.db2.gz RJMBMYHIHUFGHG-SECBINFHSA-N -1 3 381.383 3.780 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820563506 606492018 /nfs/dbraw/zinc/49/20/18/606492018.db2.gz RJMBMYHIHUFGHG-SECBINFHSA-N -1 3 381.383 3.780 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821461123 606500122 /nfs/dbraw/zinc/50/01/22/606500122.db2.gz JXBBSZKTGYFUMO-UHFFFAOYSA-N -1 3 389.868 3.893 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821461123 606500124 /nfs/dbraw/zinc/50/01/24/606500124.db2.gz JXBBSZKTGYFUMO-UHFFFAOYSA-N -1 3 389.868 3.893 20 0 GHADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823162087 606513390 /nfs/dbraw/zinc/51/33/90/606513390.db2.gz SRJJGCZFIAWQNL-NSHDSACASA-N -1 3 380.260 3.652 20 0 GHADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823162087 606513391 /nfs/dbraw/zinc/51/33/91/606513391.db2.gz SRJJGCZFIAWQNL-NSHDSACASA-N -1 3 380.260 3.652 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823472216 606520555 /nfs/dbraw/zinc/52/05/55/606520555.db2.gz DPMQYHRFPRWHBM-SFHVURJKSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823472216 606520557 /nfs/dbraw/zinc/52/05/57/606520557.db2.gz DPMQYHRFPRWHBM-SFHVURJKSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1Oc1cccc(F)c1 ZINC000823107607 606532074 /nfs/dbraw/zinc/53/20/74/606532074.db2.gz AUKFIYVSXOICFA-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1Oc1cccc(F)c1 ZINC000823107607 606532075 /nfs/dbraw/zinc/53/20/75/606532075.db2.gz AUKFIYVSXOICFA-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(CC1CC1)c1ccccc1 ZINC000822954987 606549805 /nfs/dbraw/zinc/54/98/05/606549805.db2.gz HSGOIRWJLVFBTM-UHFFFAOYSA-N -1 3 391.475 3.859 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(CC1CC1)c1ccccc1 ZINC000822954987 606549806 /nfs/dbraw/zinc/54/98/06/606549806.db2.gz HSGOIRWJLVFBTM-UHFFFAOYSA-N -1 3 391.475 3.859 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000819913858 606556057 /nfs/dbraw/zinc/55/60/57/606556057.db2.gz FVUYSTRMJSXUSL-UHFFFAOYSA-N -1 3 390.447 3.778 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000819913858 606556058 /nfs/dbraw/zinc/55/60/58/606556058.db2.gz FVUYSTRMJSXUSL-UHFFFAOYSA-N -1 3 390.447 3.778 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H]1C ZINC000820743040 606573963 /nfs/dbraw/zinc/57/39/63/606573963.db2.gz PRAQLHXMROQARG-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@H]1C ZINC000820743040 606573964 /nfs/dbraw/zinc/57/39/64/606573964.db2.gz PRAQLHXMROQARG-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC1CC(C)C1 ZINC000822211679 606576856 /nfs/dbraw/zinc/57/68/56/606576856.db2.gz KTTXGKFKXXRYJO-UHFFFAOYSA-N -1 3 392.463 3.674 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC1CC(C)C1 ZINC000822211679 606576857 /nfs/dbraw/zinc/57/68/57/606576857.db2.gz KTTXGKFKXXRYJO-UHFFFAOYSA-N -1 3 392.463 3.674 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482875 606578852 /nfs/dbraw/zinc/57/88/52/606578852.db2.gz VZAVINFPEMDUBH-RDTXWAMCSA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482875 606578854 /nfs/dbraw/zinc/57/88/54/606578854.db2.gz VZAVINFPEMDUBH-RDTXWAMCSA-N -1 3 379.464 3.564 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000820543022 606583727 /nfs/dbraw/zinc/58/37/27/606583727.db2.gz SVFWDWGVAXJKAE-CYBMUJFWSA-N -1 3 393.447 3.502 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000820543022 606583731 /nfs/dbraw/zinc/58/37/31/606583731.db2.gz SVFWDWGVAXJKAE-CYBMUJFWSA-N -1 3 393.447 3.502 20 0 GHADHM CCCc1ccc(-c2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n[nH]2)cc1 ZINC000821139332 606584177 /nfs/dbraw/zinc/58/41/77/606584177.db2.gz UDTBSUDSZKCNRM-UHFFFAOYSA-N -1 3 379.449 3.523 20 0 GHADHM CCCc1ccc(-c2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n[nH]2)cc1 ZINC000821139332 606584178 /nfs/dbraw/zinc/58/41/78/606584178.db2.gz UDTBSUDSZKCNRM-UHFFFAOYSA-N -1 3 379.449 3.523 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CC1(Cl)Cl ZINC000822732933 606591330 /nfs/dbraw/zinc/59/13/30/606591330.db2.gz OUOAVRMYWDPSMF-VIFPVBQESA-N -1 3 381.235 3.895 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CC1(Cl)Cl ZINC000822732933 606591332 /nfs/dbraw/zinc/59/13/32/606591332.db2.gz OUOAVRMYWDPSMF-VIFPVBQESA-N -1 3 381.235 3.895 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820675100 606618949 /nfs/dbraw/zinc/61/89/49/606618949.db2.gz HUTRKEWMDOLSRW-MBFWDRTGSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000820549345 606630101 /nfs/dbraw/zinc/63/01/01/606630101.db2.gz MJJSEMSSYDCARU-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000820549345 606630102 /nfs/dbraw/zinc/63/01/02/606630102.db2.gz MJJSEMSSYDCARU-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCc2ccccc21 ZINC000820548477 606630134 /nfs/dbraw/zinc/63/01/34/606630134.db2.gz AOSQJSCMPMSTJE-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCc2ccccc21 ZINC000820548477 606630136 /nfs/dbraw/zinc/63/01/36/606630136.db2.gz AOSQJSCMPMSTJE-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM Cc1nc(CCCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cs1 ZINC000822437107 606630324 /nfs/dbraw/zinc/63/03/24/606630324.db2.gz VWZHYRVCCPXUJF-UHFFFAOYSA-N -1 3 398.536 3.639 20 0 GHADHM Cc1nc(CCCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cs1 ZINC000822437107 606630327 /nfs/dbraw/zinc/63/03/27/606630327.db2.gz VWZHYRVCCPXUJF-UHFFFAOYSA-N -1 3 398.536 3.639 20 0 GHADHM O=Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000823551577 606660207 /nfs/dbraw/zinc/66/02/07/606660207.db2.gz VYXGPCAABBNTSZ-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM O=Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000823551577 606660208 /nfs/dbraw/zinc/66/02/08/606660208.db2.gz VYXGPCAABBNTSZ-UHFFFAOYSA-N -1 3 391.412 3.785 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000820385142 606661927 /nfs/dbraw/zinc/66/19/27/606661927.db2.gz PRXPZHZDQXAWOF-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000820385142 606661928 /nfs/dbraw/zinc/66/19/28/606661928.db2.gz PRXPZHZDQXAWOF-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822021003 606671297 /nfs/dbraw/zinc/67/12/97/606671297.db2.gz QZSKJNDJQXAMPW-SNVBAGLBSA-N -1 3 383.358 3.691 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822021003 606671298 /nfs/dbraw/zinc/67/12/98/606671298.db2.gz QZSKJNDJQXAMPW-SNVBAGLBSA-N -1 3 383.358 3.691 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2)oc1C ZINC000822418942 606672084 /nfs/dbraw/zinc/67/20/84/606672084.db2.gz JWJSZSVBHFYIIC-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2)oc1C ZINC000822418942 606672085 /nfs/dbraw/zinc/67/20/85/606672085.db2.gz JWJSZSVBHFYIIC-UHFFFAOYSA-N -1 3 396.357 3.669 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H](c2ccccc2)CC1 ZINC000823454031 606679618 /nfs/dbraw/zinc/67/96/18/606679618.db2.gz JILKYHZBWKUSFO-AWEZNQCLSA-N -1 3 383.402 3.555 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H](c2ccccc2)CC1 ZINC000823454031 606679619 /nfs/dbraw/zinc/67/96/19/606679619.db2.gz JILKYHZBWKUSFO-AWEZNQCLSA-N -1 3 383.402 3.555 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820958149 606691052 /nfs/dbraw/zinc/69/10/52/606691052.db2.gz RVTDADUSCFAPNZ-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CCC1(CC)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820957839 606696452 /nfs/dbraw/zinc/69/64/52/606696452.db2.gz QUGLCVCONPQMOB-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM CCC1(CC)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820957839 606696453 /nfs/dbraw/zinc/69/64/53/606696453.db2.gz QUGLCVCONPQMOB-UHFFFAOYSA-N -1 3 380.399 3.512 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821475854 606716879 /nfs/dbraw/zinc/71/68/79/606716879.db2.gz BFWUJNSYTWEUKU-KBPBESRZSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821475854 606716882 /nfs/dbraw/zinc/71/68/82/606716882.db2.gz BFWUJNSYTWEUKU-KBPBESRZSA-N -1 3 389.463 3.891 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822061640 606739451 /nfs/dbraw/zinc/73/94/51/606739451.db2.gz SSRPHJOIXJEFNM-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM O=C(OCCOc1ccc2ccccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823409943 606759030 /nfs/dbraw/zinc/75/90/30/606759030.db2.gz OKXPOLLBDZFIGQ-UHFFFAOYSA-N -1 3 396.353 3.534 20 0 GHADHM O=C(OCCOc1ccc2ccccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823409943 606759031 /nfs/dbraw/zinc/75/90/31/606759031.db2.gz OKXPOLLBDZFIGQ-UHFFFAOYSA-N -1 3 396.353 3.534 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436585 606771996 /nfs/dbraw/zinc/77/19/96/606771996.db2.gz OGGZXWZOUOZNHP-NSHDSACASA-N -1 3 385.497 3.713 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436585 606771997 /nfs/dbraw/zinc/77/19/97/606771997.db2.gz OGGZXWZOUOZNHP-NSHDSACASA-N -1 3 385.497 3.713 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436584 606772021 /nfs/dbraw/zinc/77/20/21/606772021.db2.gz OGGZXWZOUOZNHP-LLVKDONJSA-N -1 3 385.497 3.713 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436584 606772023 /nfs/dbraw/zinc/77/20/23/606772023.db2.gz OGGZXWZOUOZNHP-LLVKDONJSA-N -1 3 385.497 3.713 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccc(F)cn2)cc1 ZINC000822146228 606786152 /nfs/dbraw/zinc/78/61/52/606786152.db2.gz WNNCKFUEXFGNES-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 ZINC000822143350 606830159 /nfs/dbraw/zinc/83/01/59/606830159.db2.gz BQZKYVJVACRGDF-IBGZPJMESA-N -1 3 392.415 3.636 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 ZINC000822143350 606830161 /nfs/dbraw/zinc/83/01/61/606830161.db2.gz BQZKYVJVACRGDF-IBGZPJMESA-N -1 3 392.415 3.636 20 0 GHADHM CC(C)c1csc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000820197858 606835490 /nfs/dbraw/zinc/83/54/90/606835490.db2.gz OCEZXVVDTPISKJ-UHFFFAOYSA-N -1 3 393.929 3.587 20 0 GHADHM CC(C)c1csc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000820197858 606835491 /nfs/dbraw/zinc/83/54/91/606835491.db2.gz OCEZXVVDTPISKJ-UHFFFAOYSA-N -1 3 393.929 3.587 20 0 GHADHM COCCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821686850 606839865 /nfs/dbraw/zinc/83/98/65/606839865.db2.gz BXSIUWJAIQZAHK-UHFFFAOYSA-N -1 3 382.420 3.551 20 0 GHADHM COCCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821686850 606839866 /nfs/dbraw/zinc/83/98/66/606839866.db2.gz BXSIUWJAIQZAHK-UHFFFAOYSA-N -1 3 382.420 3.551 20 0 GHADHM Cc1cc(Cl)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000822202180 606873758 /nfs/dbraw/zinc/87/37/58/606873758.db2.gz OFZQOARHNVFFQP-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cc(Cl)cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000822202180 606873760 /nfs/dbraw/zinc/87/37/60/606873760.db2.gz OFZQOARHNVFFQP-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821449693 606905967 /nfs/dbraw/zinc/90/59/67/606905967.db2.gz WJVCJIOWBXTVHZ-VXGBXAGGSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821449693 606905968 /nfs/dbraw/zinc/90/59/68/606905968.db2.gz WJVCJIOWBXTVHZ-VXGBXAGGSA-N -1 3 380.905 3.658 20 0 GHADHM CC(C)n1ccnc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820214482 606928606 /nfs/dbraw/zinc/92/86/06/606928606.db2.gz FANRJAIJZWJUAY-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM CC(C)n1ccnc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820214482 606928608 /nfs/dbraw/zinc/92/86/08/606928608.db2.gz FANRJAIJZWJUAY-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000821081892 606936140 /nfs/dbraw/zinc/93/61/40/606936140.db2.gz DINHUGILNSCBOS-UHFFFAOYSA-N -1 3 393.476 3.844 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000821081892 606936142 /nfs/dbraw/zinc/93/61/42/606936142.db2.gz DINHUGILNSCBOS-UHFFFAOYSA-N -1 3 393.476 3.844 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823303629 606948845 /nfs/dbraw/zinc/94/88/45/606948845.db2.gz PDHLXYXMEPKZRC-HNNXBMFYSA-N -1 3 397.870 3.629 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823303629 606948846 /nfs/dbraw/zinc/94/88/46/606948846.db2.gz PDHLXYXMEPKZRC-HNNXBMFYSA-N -1 3 397.870 3.629 20 0 GHADHM CS/C=C\C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821956098 606959490 /nfs/dbraw/zinc/95/94/90/606959490.db2.gz HGDGQMRLJCKMQL-KTKRTIGZSA-N -1 3 385.880 3.930 20 0 GHADHM CS/C=C\C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821956098 606959492 /nfs/dbraw/zinc/95/94/92/606959492.db2.gz HGDGQMRLJCKMQL-KTKRTIGZSA-N -1 3 385.880 3.930 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820050780 606966297 /nfs/dbraw/zinc/96/62/97/606966297.db2.gz GJYPDVNGXABEFF-GOSISDBHSA-N -1 3 383.402 3.541 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820050780 606966298 /nfs/dbraw/zinc/96/62/98/606966298.db2.gz GJYPDVNGXABEFF-GOSISDBHSA-N -1 3 383.402 3.541 20 0 GHADHM CCCNc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821128146 606969144 /nfs/dbraw/zinc/96/91/44/606969144.db2.gz QBLAOHAEFKFDPQ-UHFFFAOYSA-N -1 3 384.871 3.913 20 0 GHADHM CCCNc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821128146 606969145 /nfs/dbraw/zinc/96/91/45/606969145.db2.gz QBLAOHAEFKFDPQ-UHFFFAOYSA-N -1 3 384.871 3.913 20 0 GHADHM CC(C)CCn1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000820081276 606978543 /nfs/dbraw/zinc/97/85/43/606978543.db2.gz AIEPPJVIMJLVAG-UHFFFAOYSA-N -1 3 390.904 3.572 20 0 GHADHM CC(C)CCn1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000820081276 606978545 /nfs/dbraw/zinc/97/85/45/606978545.db2.gz AIEPPJVIMJLVAG-UHFFFAOYSA-N -1 3 390.904 3.572 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820313679 606981911 /nfs/dbraw/zinc/98/19/11/606981911.db2.gz FMNJDTLUOLSHSH-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820313679 606981912 /nfs/dbraw/zinc/98/19/12/606981912.db2.gz FMNJDTLUOLSHSH-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM Cc1cccc(OCCCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822328435 606997200 /nfs/dbraw/zinc/99/72/00/606997200.db2.gz PWEUOVUSSFKWSE-UHFFFAOYSA-N -1 3 384.411 3.607 20 0 GHADHM Cc1cccc(OCCCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822328435 606997202 /nfs/dbraw/zinc/99/72/02/606997202.db2.gz PWEUOVUSSFKWSE-UHFFFAOYSA-N -1 3 384.411 3.607 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819965859 607001295 /nfs/dbraw/zinc/00/12/95/607001295.db2.gz PWIIIYZCIFBYAZ-ALCCZGGFSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819965859 607001297 /nfs/dbraw/zinc/00/12/97/607001297.db2.gz PWIIIYZCIFBYAZ-ALCCZGGFSA-N -1 3 387.440 3.516 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822232867 607002032 /nfs/dbraw/zinc/00/20/32/607002032.db2.gz CLAGBEQABBVGDL-LPHOPBHVSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822232867 607002034 /nfs/dbraw/zinc/00/20/34/607002034.db2.gz CLAGBEQABBVGDL-LPHOPBHVSA-N -1 3 396.422 3.525 20 0 GHADHM Fc1ccc(CSc2nnc(NC3CCCCC3)s2)cc1-c1nnn[n-]1 ZINC000822774011 607005328 /nfs/dbraw/zinc/00/53/28/607005328.db2.gz FGIZPHCKRMVAIA-UHFFFAOYSA-N -1 3 391.501 3.894 20 0 GHADHM Fc1ccc(CSc2nnc(NC3CCCCC3)s2)cc1-c1nn[n-]n1 ZINC000822774011 607005330 /nfs/dbraw/zinc/00/53/30/607005330.db2.gz FGIZPHCKRMVAIA-UHFFFAOYSA-N -1 3 391.501 3.894 20 0 GHADHM Fc1ccc(CSc2ncnc3sc4c(c32)CCC4)cc1-c1nnn[n-]1 ZINC000822774006 607005646 /nfs/dbraw/zinc/00/56/46/607005646.db2.gz DZXGJGLBOYCRNZ-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM Fc1ccc(CSc2ncnc3sc4c(c32)CCC4)cc1-c1nn[n-]n1 ZINC000822774006 607005648 /nfs/dbraw/zinc/00/56/48/607005648.db2.gz DZXGJGLBOYCRNZ-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Sc3cc(-c4nnn[n-]4)ccn3)o2)cc1C ZINC000822213860 607008293 /nfs/dbraw/zinc/00/82/93/607008293.db2.gz DLYUEUVDMPYAEQ-LBPRGKRZSA-N -1 3 379.449 3.782 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Sc3cc(-c4nn[n-]n4)ccn3)o2)cc1C ZINC000822213860 607008295 /nfs/dbraw/zinc/00/82/95/607008295.db2.gz DLYUEUVDMPYAEQ-LBPRGKRZSA-N -1 3 379.449 3.782 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000820554886 607009808 /nfs/dbraw/zinc/00/98/08/607009808.db2.gz ATWJOUKQAJEDSY-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000820554886 607009809 /nfs/dbraw/zinc/00/98/09/607009809.db2.gz ATWJOUKQAJEDSY-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819933302 607011459 /nfs/dbraw/zinc/01/14/59/607011459.db2.gz MWCBJQAWJCCXEE-UHFFFAOYSA-N -1 3 375.498 3.606 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819933302 607011461 /nfs/dbraw/zinc/01/14/61/607011461.db2.gz MWCBJQAWJCCXEE-UHFFFAOYSA-N -1 3 375.498 3.606 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821009398 607017217 /nfs/dbraw/zinc/01/72/17/607017217.db2.gz QRJNHLJGUCXWHS-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821009398 607017219 /nfs/dbraw/zinc/01/72/19/607017219.db2.gz QRJNHLJGUCXWHS-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM Cc1ccc(CSCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1C ZINC000822240011 607017354 /nfs/dbraw/zinc/01/73/54/607017354.db2.gz OIUAUKLZGZKFBA-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1ccc(CSCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822240011 607017356 /nfs/dbraw/zinc/01/73/56/607017356.db2.gz OIUAUKLZGZKFBA-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000821123440 607040919 /nfs/dbraw/zinc/04/09/19/607040919.db2.gz SRLXPZOXWJTIBC-UHFFFAOYSA-N -1 3 380.239 3.576 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Cl)nc2ccccc21 ZINC000823414371 607076929 /nfs/dbraw/zinc/07/69/29/607076929.db2.gz WDVWZOAWEHGPNK-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Cl)nc2ccccc21 ZINC000823414371 607076931 /nfs/dbraw/zinc/07/69/31/607076931.db2.gz WDVWZOAWEHGPNK-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000822345695 607082502 /nfs/dbraw/zinc/08/25/02/607082502.db2.gz PFKHJEWPSJASNL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000822345695 607082504 /nfs/dbraw/zinc/08/25/04/607082504.db2.gz PFKHJEWPSJASNL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820915768 607097140 /nfs/dbraw/zinc/09/71/40/607097140.db2.gz XIDPNDRGIZDMOE-OXQOHEQNSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820915768 607097141 /nfs/dbraw/zinc/09/71/41/607097141.db2.gz XIDPNDRGIZDMOE-OXQOHEQNSA-N -1 3 392.507 3.981 20 0 GHADHM CCC1CCC(N(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C2CC2)CC1 ZINC000820971244 607103156 /nfs/dbraw/zinc/10/31/56/607103156.db2.gz AEBJQTSKSKJSTQ-UHFFFAOYSA-N -1 3 386.475 3.649 20 0 GHADHM CCC1CCC(N(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C2CC2)CC1 ZINC000820971244 607103158 /nfs/dbraw/zinc/10/31/58/607103158.db2.gz AEBJQTSKSKJSTQ-UHFFFAOYSA-N -1 3 386.475 3.649 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822402456 607131995 /nfs/dbraw/zinc/13/19/95/607131995.db2.gz AUKKSYAIZYGDLN-MDZDMXLPSA-N -1 3 386.415 3.790 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822402456 607131997 /nfs/dbraw/zinc/13/19/97/607131997.db2.gz AUKKSYAIZYGDLN-MDZDMXLPSA-N -1 3 386.415 3.790 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820397266 607156115 /nfs/dbraw/zinc/15/61/15/607156115.db2.gz NIOFTDMLGKFSBO-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820397266 607156117 /nfs/dbraw/zinc/15/61/17/607156117.db2.gz NIOFTDMLGKFSBO-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000822978916 607165069 /nfs/dbraw/zinc/16/50/69/607165069.db2.gz TYFLUAWXNUHHCU-NRFANRHFSA-N -1 3 389.503 3.813 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000822978916 607165071 /nfs/dbraw/zinc/16/50/71/607165071.db2.gz TYFLUAWXNUHHCU-NRFANRHFSA-N -1 3 389.503 3.813 20 0 GHADHM Cc1cc(C)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000822194364 607167144 /nfs/dbraw/zinc/16/71/44/607167144.db2.gz UFMFAPJNVGTGNQ-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Cc1cc(C)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822194364 607167145 /nfs/dbraw/zinc/16/71/45/607167145.db2.gz UFMFAPJNVGTGNQ-UHFFFAOYSA-N -1 3 381.827 3.799 20 0 GHADHM Fc1cc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)cc(F)c1F ZINC000822748327 607170166 /nfs/dbraw/zinc/17/01/66/607170166.db2.gz UHLUHRHICSNRPL-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1cc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc(F)c1F ZINC000822748327 607170167 /nfs/dbraw/zinc/17/01/67/607170167.db2.gz UHLUHRHICSNRPL-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)CCO2 ZINC000822786568 607174023 /nfs/dbraw/zinc/17/40/23/607174023.db2.gz MVCDGZAEIWWYAL-CQSZACIVSA-N -1 3 379.317 3.960 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)CCO2 ZINC000822786568 607174024 /nfs/dbraw/zinc/17/40/24/607174024.db2.gz MVCDGZAEIWWYAL-CQSZACIVSA-N -1 3 379.317 3.960 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821614411 607197393 /nfs/dbraw/zinc/19/73/93/607197393.db2.gz FESCYXFOWGWNTD-UHFFFAOYSA-N -1 3 377.235 3.837 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821614411 607197394 /nfs/dbraw/zinc/19/73/94/607197394.db2.gz FESCYXFOWGWNTD-UHFFFAOYSA-N -1 3 377.235 3.837 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821456191 607198314 /nfs/dbraw/zinc/19/83/14/607198314.db2.gz OCQYQGKADMHBNL-NWDGAFQWSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821456191 607198315 /nfs/dbraw/zinc/19/83/15/607198315.db2.gz OCQYQGKADMHBNL-NWDGAFQWSA-N -1 3 380.905 3.706 20 0 GHADHM Cc1ccccc1CC1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822356163 607201757 /nfs/dbraw/zinc/20/17/57/607201757.db2.gz LHGOEUYEPPPXJU-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1ccccc1CC1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822356163 607201758 /nfs/dbraw/zinc/20/17/58/607201758.db2.gz LHGOEUYEPPPXJU-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCSC2(CCCCC2)C1 ZINC000823319411 607202267 /nfs/dbraw/zinc/20/22/67/607202267.db2.gz UTWNZSSQXHVFTG-UHFFFAOYSA-N -1 3 392.916 3.804 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCSC2(CCCCC2)C1 ZINC000823319411 607202268 /nfs/dbraw/zinc/20/22/68/607202268.db2.gz UTWNZSSQXHVFTG-UHFFFAOYSA-N -1 3 392.916 3.804 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CC1CCCCC1 ZINC000821698547 607240766 /nfs/dbraw/zinc/24/07/66/607240766.db2.gz OHBVBFNHLUIGRC-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CC1CCCCC1 ZINC000821698547 607240767 /nfs/dbraw/zinc/24/07/67/607240767.db2.gz OHBVBFNHLUIGRC-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c2c(n1)onc2C(C)C ZINC000822177051 607240863 /nfs/dbraw/zinc/24/08/63/607240863.db2.gz RXPGYRAKBODJHS-UHFFFAOYSA-N -1 3 397.826 3.740 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c2c(n1)onc2C(C)C ZINC000822177051 607240864 /nfs/dbraw/zinc/24/08/64/607240864.db2.gz RXPGYRAKBODJHS-UHFFFAOYSA-N -1 3 397.826 3.740 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820937732 607242142 /nfs/dbraw/zinc/24/21/42/607242142.db2.gz CHEAJXMGEXSBCT-FFSVYQOJSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820937732 607242143 /nfs/dbraw/zinc/24/21/43/607242143.db2.gz CHEAJXMGEXSBCT-FFSVYQOJSA-N -1 3 377.876 3.833 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819945949 607244059 /nfs/dbraw/zinc/24/40/59/607244059.db2.gz IDFFBRWGCDVJOG-UHFFFAOYSA-N -1 3 399.382 3.572 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819945949 607244060 /nfs/dbraw/zinc/24/40/60/607244060.db2.gz IDFFBRWGCDVJOG-UHFFFAOYSA-N -1 3 399.382 3.572 20 0 GHADHM CCC(C)(C)c1ccc(CN[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825042881 607784617 /nfs/dbraw/zinc/78/46/17/607784617.db2.gz AUXTXGPXBOMRAB-LJQANCHMSA-N -1 3 393.491 3.558 20 0 GHADHM CCC(C)(C)c1ccc(CN[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825042881 607784618 /nfs/dbraw/zinc/78/46/18/607784618.db2.gz AUXTXGPXBOMRAB-LJQANCHMSA-N -1 3 393.491 3.558 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)nc1 ZINC000826282612 607793111 /nfs/dbraw/zinc/79/31/11/607793111.db2.gz XKNCRYPOFVKDBM-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CCN(C(=O)CCOc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372132 607797397 /nfs/dbraw/zinc/79/73/97/607797397.db2.gz QXZXSIUBQHQZSC-UHFFFAOYSA-N -1 3 387.443 3.842 20 0 GHADHM CCN(C(=O)CCOc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372132 607797398 /nfs/dbraw/zinc/79/73/98/607797398.db2.gz QXZXSIUBQHQZSC-UHFFFAOYSA-N -1 3 387.443 3.842 20 0 GHADHM CCN(C(=O)[C@@H](C)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362813 607797899 /nfs/dbraw/zinc/79/78/99/607797899.db2.gz RITYBAGWUDEMBF-ZDUSSCGKSA-N -1 3 385.468 3.787 20 0 GHADHM CCN(C(=O)[C@@H](C)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362813 607797900 /nfs/dbraw/zinc/79/79/00/607797900.db2.gz RITYBAGWUDEMBF-ZDUSSCGKSA-N -1 3 385.468 3.787 20 0 GHADHM CCN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385956 607798668 /nfs/dbraw/zinc/79/86/68/607798668.db2.gz WMHVIFYGTDZWAD-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385956 607798669 /nfs/dbraw/zinc/79/86/69/607798669.db2.gz WMHVIFYGTDZWAD-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000826262161 607820046 /nfs/dbraw/zinc/82/00/46/607820046.db2.gz FYRYYKBKFSRDRJ-UHFFFAOYSA-N -1 3 384.871 3.580 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000826262161 607820047 /nfs/dbraw/zinc/82/00/47/607820047.db2.gz FYRYYKBKFSRDRJ-UHFFFAOYSA-N -1 3 384.871 3.580 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCSC(C)(C)C ZINC000826167693 607826202 /nfs/dbraw/zinc/82/62/02/607826202.db2.gz NPZIEPSTKVXIOS-UHFFFAOYSA-N -1 3 384.889 3.746 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCSC(C)(C)C ZINC000826167693 607826203 /nfs/dbraw/zinc/82/62/03/607826203.db2.gz NPZIEPSTKVXIOS-UHFFFAOYSA-N -1 3 384.889 3.746 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826214071 607830785 /nfs/dbraw/zinc/83/07/85/607830785.db2.gz YYIYSDFRINRANP-CQSZACIVSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826214071 607830786 /nfs/dbraw/zinc/83/07/86/607830786.db2.gz YYIYSDFRINRANP-CQSZACIVSA-N -1 3 388.427 3.875 20 0 GHADHM CCOCc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825605011 607834349 /nfs/dbraw/zinc/83/43/49/607834349.db2.gz NHYVFMVLUZFMFC-UHFFFAOYSA-N -1 3 392.246 3.962 20 0 GHADHM CCOCc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825605011 607834350 /nfs/dbraw/zinc/83/43/50/607834350.db2.gz NHYVFMVLUZFMFC-UHFFFAOYSA-N -1 3 392.246 3.962 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccco1 ZINC000824206583 607843634 /nfs/dbraw/zinc/84/36/34/607843634.db2.gz FOILKWGUTVPCAS-HNNXBMFYSA-N -1 3 391.884 3.546 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccco1 ZINC000824206583 607843635 /nfs/dbraw/zinc/84/36/35/607843635.db2.gz FOILKWGUTVPCAS-HNNXBMFYSA-N -1 3 391.884 3.546 20 0 GHADHM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000825825813 607853557 /nfs/dbraw/zinc/85/35/57/607853557.db2.gz KCHNAUVVMDKOBH-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000825825813 607853558 /nfs/dbraw/zinc/85/35/58/607853558.db2.gz KCHNAUVVMDKOBH-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM Cc1noc(C)c1CCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826338916 607880940 /nfs/dbraw/zinc/88/09/40/607880940.db2.gz LQXPPRBDOXEDEX-UHFFFAOYSA-N -1 3 381.408 3.549 20 0 GHADHM Cc1noc(C)c1CCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826338916 607880941 /nfs/dbraw/zinc/88/09/41/607880941.db2.gz LQXPPRBDOXEDEX-UHFFFAOYSA-N -1 3 381.408 3.549 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823944188 607909119 /nfs/dbraw/zinc/90/91/19/607909119.db2.gz ZQFZJTNVKVPCDJ-ACCUITESSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823944188 607909120 /nfs/dbraw/zinc/90/91/20/607909120.db2.gz ZQFZJTNVKVPCDJ-ACCUITESSA-N -1 3 379.851 3.729 20 0 GHADHM Cn1c2ccccc2nc1[C@H](NCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826355073 607909169 /nfs/dbraw/zinc/90/91/69/607909169.db2.gz IZYLQKVPXJQQTN-OAQYLSRUSA-N -1 3 395.470 3.633 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323874 607913025 /nfs/dbraw/zinc/91/30/25/607913025.db2.gz VKILQVUUXXVYKO-VNDWYCCKSA-N -1 3 396.520 3.988 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323874 607913026 /nfs/dbraw/zinc/91/30/26/607913026.db2.gz VKILQVUUXXVYKO-VNDWYCCKSA-N -1 3 396.520 3.988 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCC(=O)Nc2c(C)cccc2Cl)n1 ZINC000826262975 607931789 /nfs/dbraw/zinc/93/17/89/607931789.db2.gz GFSVRWKBESFDHJ-UHFFFAOYSA-N -1 3 388.884 3.571 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCC(=O)Nc2c(C)cccc2Cl)n1 ZINC000826262975 607931790 /nfs/dbraw/zinc/93/17/90/607931790.db2.gz GFSVRWKBESFDHJ-UHFFFAOYSA-N -1 3 388.884 3.571 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CC=C(C(F)(F)F)CC1 ZINC000826374491 607936119 /nfs/dbraw/zinc/93/61/19/607936119.db2.gz AQIYUXOVMBIKBK-UHFFFAOYSA-N -1 3 398.751 3.906 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CC=C(C(F)(F)F)CC1 ZINC000826374491 607936120 /nfs/dbraw/zinc/93/61/20/607936120.db2.gz AQIYUXOVMBIKBK-UHFFFAOYSA-N -1 3 398.751 3.906 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cs2)cc1 ZINC000826273806 607948255 /nfs/dbraw/zinc/94/82/55/607948255.db2.gz VCOZOSXRCLZFQH-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cs2)cc1 ZINC000826273806 607948256 /nfs/dbraw/zinc/94/82/56/607948256.db2.gz VCOZOSXRCLZFQH-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826407766 607952940 /nfs/dbraw/zinc/95/29/40/607952940.db2.gz ABTSLZHMCSNLDN-UHFFFAOYSA-N -1 3 385.427 3.649 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826407766 607952941 /nfs/dbraw/zinc/95/29/41/607952941.db2.gz ABTSLZHMCSNLDN-UHFFFAOYSA-N -1 3 385.427 3.649 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000824293451 607979338 /nfs/dbraw/zinc/97/93/38/607979338.db2.gz MGJZAJCETHXIMG-UHFFFAOYSA-N -1 3 390.422 3.605 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000824293451 607979339 /nfs/dbraw/zinc/97/93/39/607979339.db2.gz MGJZAJCETHXIMG-UHFFFAOYSA-N -1 3 390.422 3.605 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1CCC(F)(F)F ZINC000826464923 607981661 /nfs/dbraw/zinc/98/16/61/607981661.db2.gz RSXVOXFRPAOOMQ-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1CCC(F)(F)F ZINC000826464923 607981662 /nfs/dbraw/zinc/98/16/62/607981662.db2.gz RSXVOXFRPAOOMQ-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(-n2ccnc2)c1 ZINC000824662963 607990946 /nfs/dbraw/zinc/99/09/46/607990946.db2.gz TYXJHYJFEGHBLQ-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824450687 608004590 /nfs/dbraw/zinc/00/45/90/608004590.db2.gz XYXHKKCALSYYTD-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824450687 608004591 /nfs/dbraw/zinc/00/45/91/608004591.db2.gz XYXHKKCALSYYTD-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC(C)(C)C1 ZINC000824876866 608081560 /nfs/dbraw/zinc/08/15/60/608081560.db2.gz UPQGVQAZQPSATD-MDZRGWNJSA-N -1 3 397.523 3.619 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC(C)(C)C1 ZINC000824876866 608081561 /nfs/dbraw/zinc/08/15/61/608081561.db2.gz UPQGVQAZQPSATD-MDZRGWNJSA-N -1 3 397.523 3.619 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489961 608098508 /nfs/dbraw/zinc/09/85/08/608098508.db2.gz OCYNIAHLBOKGDV-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489961 608098509 /nfs/dbraw/zinc/09/85/09/608098509.db2.gz OCYNIAHLBOKGDV-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C1CC1 ZINC000825083260 608106345 /nfs/dbraw/zinc/10/63/45/608106345.db2.gz ZAQANMYAIRWJRB-JTQLQIEISA-N -1 3 384.419 3.695 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C1CC1 ZINC000825083260 608106346 /nfs/dbraw/zinc/10/63/46/608106346.db2.gz ZAQANMYAIRWJRB-JTQLQIEISA-N -1 3 384.419 3.695 20 0 GHADHM Cc1c(NC(=O)NC2(c3ccc(F)cc3F)CCC2)cccc1-c1nnn[n-]1 ZINC000826241383 608106572 /nfs/dbraw/zinc/10/65/72/608106572.db2.gz BNIDJOHRQUUFHP-UHFFFAOYSA-N -1 3 384.390 3.654 20 0 GHADHM Cc1c(NC(=O)NC2(c3ccc(F)cc3F)CCC2)cccc1-c1nn[n-]n1 ZINC000826241383 608106573 /nfs/dbraw/zinc/10/65/73/608106573.db2.gz BNIDJOHRQUUFHP-UHFFFAOYSA-N -1 3 384.390 3.654 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000824347555 608108172 /nfs/dbraw/zinc/10/81/72/608108172.db2.gz DDKBBCPCTXIKHK-KRWDZBQOSA-N -1 3 396.882 3.846 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000824347555 608108173 /nfs/dbraw/zinc/10/81/73/608108173.db2.gz DDKBBCPCTXIKHK-KRWDZBQOSA-N -1 3 396.882 3.846 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826408727 608128736 /nfs/dbraw/zinc/12/87/36/608128736.db2.gz SAYGPDOSVWFNMV-INIZCTEOSA-N -1 3 384.823 3.520 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCOc2c(Cl)cccc21 ZINC000826408727 608128737 /nfs/dbraw/zinc/12/87/37/608128737.db2.gz SAYGPDOSVWFNMV-INIZCTEOSA-N -1 3 384.823 3.520 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825012241 608141028 /nfs/dbraw/zinc/14/10/28/608141028.db2.gz FOVJCGZHVHTBMG-LLVKDONJSA-N -1 3 385.880 3.909 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825012241 608141029 /nfs/dbraw/zinc/14/10/29/608141029.db2.gz FOVJCGZHVHTBMG-LLVKDONJSA-N -1 3 385.880 3.909 20 0 GHADHM C[C@H](OC(=O)c1cccn1Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722465 608183686 /nfs/dbraw/zinc/18/36/86/608183686.db2.gz IXUSSSUPVCCGKH-ZDUSSCGKSA-N -1 3 379.445 3.696 20 0 GHADHM C[C@H](OC(=O)c1cccn1Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722465 608183687 /nfs/dbraw/zinc/18/36/87/608183687.db2.gz IXUSSSUPVCCGKH-ZDUSSCGKSA-N -1 3 379.445 3.696 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824722182 608186647 /nfs/dbraw/zinc/18/66/47/608186647.db2.gz HMWXGRRQZNBBBL-CQSZACIVSA-N -1 3 378.432 3.506 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824722182 608186648 /nfs/dbraw/zinc/18/66/48/608186648.db2.gz HMWXGRRQZNBBBL-CQSZACIVSA-N -1 3 378.432 3.506 20 0 GHADHM O=C(Nc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1)C1CCC1 ZINC000826456496 608222643 /nfs/dbraw/zinc/22/26/43/608222643.db2.gz HXLNYILBYHYTKU-UHFFFAOYSA-N -1 3 399.458 3.766 20 0 GHADHM O=C(Nc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1)C1CCC1 ZINC000826456496 608222644 /nfs/dbraw/zinc/22/26/44/608222644.db2.gz HXLNYILBYHYTKU-UHFFFAOYSA-N -1 3 399.458 3.766 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000824663263 608224939 /nfs/dbraw/zinc/22/49/39/608224939.db2.gz XEXCPISXXQFROK-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000824663263 608224941 /nfs/dbraw/zinc/22/49/41/608224941.db2.gz XEXCPISXXQFROK-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM CC(C)(C)c1nc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000824142059 608234057 /nfs/dbraw/zinc/23/40/57/608234057.db2.gz RRXAPYIYNHNPPH-UHFFFAOYSA-N -1 3 379.493 3.824 20 0 GHADHM CC(C)(C)c1nc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000824142059 608234059 /nfs/dbraw/zinc/23/40/59/608234059.db2.gz RRXAPYIYNHNPPH-UHFFFAOYSA-N -1 3 379.493 3.824 20 0 GHADHM Cc1cnc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)s1 ZINC000826318295 608237148 /nfs/dbraw/zinc/23/71/48/608237148.db2.gz CEKFYDLSIDIOCW-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM Cc1cnc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)s1 ZINC000826318295 608237149 /nfs/dbraw/zinc/23/71/49/608237149.db2.gz CEKFYDLSIDIOCW-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000825192803 608245797 /nfs/dbraw/zinc/24/57/97/608245797.db2.gz IWSORFPEDAOHQF-QAPCUYQASA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000825192803 608245799 /nfs/dbraw/zinc/24/57/99/608245799.db2.gz IWSORFPEDAOHQF-QAPCUYQASA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824385677 608256586 /nfs/dbraw/zinc/25/65/86/608256586.db2.gz YXKSGPXKTOHKJP-KGLIPLIRSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824385677 608256588 /nfs/dbraw/zinc/25/65/88/608256588.db2.gz YXKSGPXKTOHKJP-KGLIPLIRSA-N -1 3 383.883 3.966 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2ccccc2)s1 ZINC000826173822 608264487 /nfs/dbraw/zinc/26/44/87/608264487.db2.gz WLYUBQUULVMBTI-UHFFFAOYSA-N -1 3 382.474 3.686 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2ccccc2)s1 ZINC000826173822 608264488 /nfs/dbraw/zinc/26/44/88/608264488.db2.gz WLYUBQUULVMBTI-UHFFFAOYSA-N -1 3 382.474 3.686 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000824255443 608265356 /nfs/dbraw/zinc/26/53/56/608265356.db2.gz KAEZVCGPDFQXPS-UHFFFAOYSA-N -1 3 396.499 3.508 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000824255443 608265357 /nfs/dbraw/zinc/26/53/57/608265357.db2.gz KAEZVCGPDFQXPS-UHFFFAOYSA-N -1 3 396.499 3.508 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 ZINC000826173714 608266935 /nfs/dbraw/zinc/26/69/35/608266935.db2.gz QYEKCGBVNICPIY-LRDDRELGSA-N -1 3 399.524 3.819 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 ZINC000826173714 608266937 /nfs/dbraw/zinc/26/69/37/608266937.db2.gz QYEKCGBVNICPIY-LRDDRELGSA-N -1 3 399.524 3.819 20 0 GHADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)Nc1ccc(C2CC2)cc1 ZINC000826439126 608272912 /nfs/dbraw/zinc/27/29/12/608272912.db2.gz GHGBZOOXOLRSAF-UHFFFAOYSA-N -1 3 394.504 3.799 20 0 GHADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)Nc1ccc(C2CC2)cc1 ZINC000826439126 608272914 /nfs/dbraw/zinc/27/29/14/608272914.db2.gz GHGBZOOXOLRSAF-UHFFFAOYSA-N -1 3 394.504 3.799 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)s1 ZINC000825693751 608275520 /nfs/dbraw/zinc/27/55/20/608275520.db2.gz CWMCOLOAOVEFCP-CQSZACIVSA-N -1 3 383.477 3.637 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)s1 ZINC000825693751 608275521 /nfs/dbraw/zinc/27/55/21/608275521.db2.gz CWMCOLOAOVEFCP-CQSZACIVSA-N -1 3 383.477 3.637 20 0 GHADHM CCc1cccnc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825728077 608278205 /nfs/dbraw/zinc/27/82/05/608278205.db2.gz HQLWJOHABCRSKV-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1cccnc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825728077 608278206 /nfs/dbraw/zinc/27/82/06/608278206.db2.gz HQLWJOHABCRSKV-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@H](C[C@H]3CCOC3)C2)ccc1-c1nnn[n-]1 ZINC000826368104 608296708 /nfs/dbraw/zinc/29/67/08/608296708.db2.gz BZPQSDJFOJSWEY-CHWSQXEVSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1cc(N2CCC[C@H](C[C@H]3CCOC3)C2)ccc1-c1nn[n-]n1 ZINC000826368104 608296711 /nfs/dbraw/zinc/29/67/11/608296711.db2.gz BZPQSDJFOJSWEY-CHWSQXEVSA-N -1 3 381.402 3.529 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)Nc1ccccc1F ZINC000826440910 608301756 /nfs/dbraw/zinc/30/17/56/608301756.db2.gz FNQNHXDHRCXNIG-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)Nc1ccccc1F ZINC000826440910 608301758 /nfs/dbraw/zinc/30/17/58/608301758.db2.gz FNQNHXDHRCXNIG-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM CC(C)(C)SCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824123926 608303416 /nfs/dbraw/zinc/30/34/16/608303416.db2.gz NDBFRTWIZHDBJZ-UHFFFAOYSA-N -1 3 381.505 3.682 20 0 GHADHM CC(C)(C)SCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824123926 608303418 /nfs/dbraw/zinc/30/34/18/608303418.db2.gz NDBFRTWIZHDBJZ-UHFFFAOYSA-N -1 3 381.505 3.682 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)n1cccc1 ZINC000824385437 608327248 /nfs/dbraw/zinc/32/72/48/608327248.db2.gz SXDRDDAGJXTUPO-MRXNPFEDSA-N -1 3 386.459 3.603 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)n1cccc1 ZINC000824385437 608327251 /nfs/dbraw/zinc/32/72/51/608327251.db2.gz SXDRDDAGJXTUPO-MRXNPFEDSA-N -1 3 386.459 3.603 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccncc1 ZINC000824384995 608329440 /nfs/dbraw/zinc/32/94/40/608329440.db2.gz JMGRQNPLYBWGMT-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccncc1 ZINC000824384995 608329442 /nfs/dbraw/zinc/32/94/42/608329442.db2.gz JMGRQNPLYBWGMT-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM CC(C)(C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000824059235 608331386 /nfs/dbraw/zinc/33/13/86/608331386.db2.gz PWHYHKNPMDJKMN-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM CC(C)(C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000824059235 608331387 /nfs/dbraw/zinc/33/13/87/608331387.db2.gz PWHYHKNPMDJKMN-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366703 608343928 /nfs/dbraw/zinc/34/39/28/608343928.db2.gz DZJHLDYADGWUCP-AWEZNQCLSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366703 608343930 /nfs/dbraw/zinc/34/39/30/608343930.db2.gz DZJHLDYADGWUCP-AWEZNQCLSA-N -1 3 381.867 3.993 20 0 GHADHM CCN(C(=O)CCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371146 608346729 /nfs/dbraw/zinc/34/67/29/608346729.db2.gz CNCMZWGNFVHHLK-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CCN(C(=O)CCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371146 608346731 /nfs/dbraw/zinc/34/67/31/608346731.db2.gz CNCMZWGNFVHHLK-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825233068 608356565 /nfs/dbraw/zinc/35/65/65/608356565.db2.gz MOLZKYSCAQYTKP-OAHLLOKOSA-N -1 3 378.480 3.864 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825233068 608356567 /nfs/dbraw/zinc/35/65/67/608356567.db2.gz MOLZKYSCAQYTKP-OAHLLOKOSA-N -1 3 378.480 3.864 20 0 GHADHM COc1ccc(CNc2cc(F)c(Br)c(F)c2)cc1-c1nnn[n-]1 ZINC000826203528 608389330 /nfs/dbraw/zinc/38/93/30/608389330.db2.gz SPTCWMDKRDRCAC-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(CNc2cc(F)c(Br)c(F)c2)cc1-c1nn[n-]n1 ZINC000826203528 608389331 /nfs/dbraw/zinc/38/93/31/608389331.db2.gz SPTCWMDKRDRCAC-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824402575 608411334 /nfs/dbraw/zinc/41/13/34/608411334.db2.gz XFTQBCBPQBKOPO-OAHLLOKOSA-N -1 3 382.512 3.880 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824402575 608411336 /nfs/dbraw/zinc/41/13/36/608411336.db2.gz XFTQBCBPQBKOPO-OAHLLOKOSA-N -1 3 382.512 3.880 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)s2)o1 ZINC000826273545 608441307 /nfs/dbraw/zinc/44/13/07/608441307.db2.gz IWXCIIKPKQWROW-UHFFFAOYSA-N -1 3 399.407 3.696 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)s2)o1 ZINC000826273545 608441308 /nfs/dbraw/zinc/44/13/08/608441308.db2.gz IWXCIIKPKQWROW-UHFFFAOYSA-N -1 3 399.407 3.696 20 0 GHADHM Cc1cccc(OCCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826300522 608445453 /nfs/dbraw/zinc/44/54/53/608445453.db2.gz YATASDPVAGYMFI-UHFFFAOYSA-N -1 3 384.411 3.607 20 0 GHADHM Cc1cccc(OCCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826300522 608445455 /nfs/dbraw/zinc/44/54/55/608445455.db2.gz YATASDPVAGYMFI-UHFFFAOYSA-N -1 3 384.411 3.607 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1F ZINC000824058982 608477808 /nfs/dbraw/zinc/47/78/08/608477808.db2.gz KMVNMDLXONNFRA-UHFFFAOYSA-N -1 3 391.450 3.599 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1F ZINC000824058982 608477809 /nfs/dbraw/zinc/47/78/09/608477809.db2.gz KMVNMDLXONNFRA-UHFFFAOYSA-N -1 3 391.450 3.599 20 0 GHADHM O=C(c1cccc(C(F)F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473806 608478997 /nfs/dbraw/zinc/47/89/97/608478997.db2.gz OYFOTGICJHWSIY-UHFFFAOYSA-N -1 3 381.386 3.734 20 0 GHADHM O=C(c1cccc(C(F)F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473806 608478999 /nfs/dbraw/zinc/47/89/99/608478999.db2.gz OYFOTGICJHWSIY-UHFFFAOYSA-N -1 3 381.386 3.734 20 0 GHADHM O=C([C@@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398621 608480258 /nfs/dbraw/zinc/48/02/58/608480258.db2.gz AGLAQIUORCSSLX-OAQYLSRUSA-N -1 3 385.471 3.603 20 0 GHADHM O=C([C@@H]1CCCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398621 608480259 /nfs/dbraw/zinc/48/02/59/608480259.db2.gz AGLAQIUORCSSLX-OAQYLSRUSA-N -1 3 385.471 3.603 20 0 GHADHM CC(C)(CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824152595 608482369 /nfs/dbraw/zinc/48/23/69/608482369.db2.gz JPJNZUCPTQCENE-UHFFFAOYSA-N -1 3 387.487 3.850 20 0 GHADHM CC(C)(CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824152595 608482371 /nfs/dbraw/zinc/48/23/71/608482371.db2.gz JPJNZUCPTQCENE-UHFFFAOYSA-N -1 3 387.487 3.850 20 0 GHADHM C[C@H](NCc1csc(Nc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625400 608482390 /nfs/dbraw/zinc/48/23/90/608482390.db2.gz HCKDIANXQBNWJI-ZDUSSCGKSA-N -1 3 377.477 3.918 20 0 GHADHM O=C(Cc1ccc(F)cc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826422703 608482471 /nfs/dbraw/zinc/48/24/71/608482471.db2.gz JCFLZEPDIVTSHB-UHFFFAOYSA-N -1 3 397.841 3.518 20 0 GHADHM O=C(Cc1ccc(F)cc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826422703 608482472 /nfs/dbraw/zinc/48/24/72/608482472.db2.gz JCFLZEPDIVTSHB-UHFFFAOYSA-N -1 3 397.841 3.518 20 0 GHADHM C[C@@]1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCc2ccccc2C1 ZINC000824778086 608482984 /nfs/dbraw/zinc/48/29/84/608482984.db2.gz NKBSCOGRQUXPJI-XMMPIXPASA-N -1 3 399.498 3.678 20 0 GHADHM C[C@@]1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCc2ccccc2C1 ZINC000824778086 608482985 /nfs/dbraw/zinc/48/29/85/608482985.db2.gz NKBSCOGRQUXPJI-XMMPIXPASA-N -1 3 399.498 3.678 20 0 GHADHM C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626077 608484701 /nfs/dbraw/zinc/48/47/01/608484701.db2.gz LSKGNLPWZZZDQN-NSHDSACASA-N -1 3 382.374 3.651 20 0 GHADHM Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826295722 608491275 /nfs/dbraw/zinc/49/12/75/608491275.db2.gz VFXBSDMQNDBZID-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000826298402 608527429 /nfs/dbraw/zinc/52/74/29/608527429.db2.gz RAHMUVJQODTVDC-UHFFFAOYSA-N -1 3 399.458 3.618 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000826298402 608527430 /nfs/dbraw/zinc/52/74/30/608527430.db2.gz RAHMUVJQODTVDC-UHFFFAOYSA-N -1 3 399.458 3.618 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(Br)ccc1F ZINC000824293439 608533605 /nfs/dbraw/zinc/53/36/05/608533605.db2.gz LSMHEIANNBUSHN-UHFFFAOYSA-N -1 3 394.248 3.772 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc(Br)ccc1F ZINC000824293439 608533606 /nfs/dbraw/zinc/53/36/06/608533606.db2.gz LSMHEIANNBUSHN-UHFFFAOYSA-N -1 3 394.248 3.772 20 0 GHADHM CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Br)ccc1F ZINC000825435104 608534474 /nfs/dbraw/zinc/53/44/74/608534474.db2.gz MIJKAPHEHYBSJN-UHFFFAOYSA-N -1 3 396.289 3.852 20 0 GHADHM CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cc(Br)ccc1F ZINC000825435104 608534475 /nfs/dbraw/zinc/53/44/75/608534475.db2.gz MIJKAPHEHYBSJN-UHFFFAOYSA-N -1 3 396.289 3.852 20 0 GHADHM CCc1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000825728549 608539925 /nfs/dbraw/zinc/53/99/25/608539925.db2.gz PGHZPJOJOOVSDL-UHFFFAOYSA-N -1 3 384.443 3.671 20 0 GHADHM CCc1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000825728549 608539927 /nfs/dbraw/zinc/53/99/27/608539927.db2.gz PGHZPJOJOOVSDL-UHFFFAOYSA-N -1 3 384.443 3.671 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C)cc1Br ZINC000826260311 608542682 /nfs/dbraw/zinc/54/26/82/608542682.db2.gz HSIIJBADKLUYCA-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C)cc1Br ZINC000826260311 608542684 /nfs/dbraw/zinc/54/26/84/608542684.db2.gz HSIIJBADKLUYCA-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1OC(F)(F)F ZINC000826453159 608546896 /nfs/dbraw/zinc/54/68/96/608546896.db2.gz YMXCLXFERKWBLN-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1OC(F)(F)F ZINC000826453159 608546898 /nfs/dbraw/zinc/54/68/98/608546898.db2.gz YMXCLXFERKWBLN-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM CCCN(Cc1nc2ccccc2n1CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825322657 608547571 /nfs/dbraw/zinc/54/75/71/608547571.db2.gz HVBYGKLZYCZKME-UHFFFAOYSA-N -1 3 375.480 3.649 20 0 GHADHM CCN(Cc1nc2ccc(Cl)cc2n1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825445218 608551300 /nfs/dbraw/zinc/55/13/00/608551300.db2.gz XPGYDJIDFOZPOJ-CYBMUJFWSA-N -1 3 395.898 3.990 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824899647 608576640 /nfs/dbraw/zinc/57/66/40/608576640.db2.gz MLDMXOYDWPOARV-DVOMOZLQSA-N -1 3 381.867 3.927 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824899647 608576641 /nfs/dbraw/zinc/57/66/41/608576641.db2.gz MLDMXOYDWPOARV-DVOMOZLQSA-N -1 3 381.867 3.927 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826402557 608593033 /nfs/dbraw/zinc/59/30/33/608593033.db2.gz WZQLQQWYHCXKDC-JEJOPICUSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826402557 608593037 /nfs/dbraw/zinc/59/30/37/608593037.db2.gz WZQLQQWYHCXKDC-JEJOPICUSA-N -1 3 395.850 3.563 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824938614 608597585 /nfs/dbraw/zinc/59/75/85/608597585.db2.gz VWNZXECNCBGIIL-UONOGXRCSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824938614 608597586 /nfs/dbraw/zinc/59/75/86/608597586.db2.gz VWNZXECNCBGIIL-UONOGXRCSA-N -1 3 393.451 3.706 20 0 GHADHM Cc1cc2nnc(SCc3cccc(-c4nnn[n-]4)c3F)n2c2ccccc12 ZINC000826272821 608669578 /nfs/dbraw/zinc/66/95/78/608669578.db2.gz CTLNMVFPDWZMJF-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM Cc1cc2nnc(SCc3cccc(-c4nn[n-]n4)c3F)n2c2ccccc12 ZINC000826272821 608669579 /nfs/dbraw/zinc/66/95/79/608669579.db2.gz CTLNMVFPDWZMJF-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM S=C(NCCCc1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826512091 608749421 /nfs/dbraw/zinc/74/94/21/608749421.db2.gz OHYJXRJCIYAUBG-UHFFFAOYSA-N -1 3 378.914 3.501 20 0 GHADHM S=C(NCCCc1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826512091 608749423 /nfs/dbraw/zinc/74/94/23/608749423.db2.gz OHYJXRJCIYAUBG-UHFFFAOYSA-N -1 3 378.914 3.501 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000824753075 608823935 /nfs/dbraw/zinc/82/39/35/608823935.db2.gz BREVFRBGBVFRCM-NHYWBVRUSA-N -1 3 398.385 3.688 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000824753075 608823937 /nfs/dbraw/zinc/82/39/37/608823937.db2.gz BREVFRBGBVFRCM-NHYWBVRUSA-N -1 3 398.385 3.688 20 0 GHADHM O=C(NCCCc1cccs1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826437634 608826990 /nfs/dbraw/zinc/82/69/90/608826990.db2.gz UWDFHYGJEDAJGL-UHFFFAOYSA-N -1 3 382.276 3.598 20 0 GHADHM O=C(NCCCc1cccs1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826437634 608826992 /nfs/dbraw/zinc/82/69/92/608826992.db2.gz UWDFHYGJEDAJGL-UHFFFAOYSA-N -1 3 382.276 3.598 20 0 GHADHM C[C@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824471030 608884527 /nfs/dbraw/zinc/88/45/27/608884527.db2.gz NGTWLKKRWDJRKV-ZDUSSCGKSA-N -1 3 381.867 3.720 20 0 GHADHM C[C@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824471030 608884531 /nfs/dbraw/zinc/88/45/31/608884531.db2.gz NGTWLKKRWDJRKV-ZDUSSCGKSA-N -1 3 381.867 3.720 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826454018 609161188 /nfs/dbraw/zinc/16/11/88/609161188.db2.gz HCOBPQOHYFITDU-XAVKZTDYSA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826454018 609161190 /nfs/dbraw/zinc/16/11/90/609161190.db2.gz HCOBPQOHYFITDU-XAVKZTDYSA-N -1 3 378.411 3.716 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380969 609162755 /nfs/dbraw/zinc/16/27/55/609162755.db2.gz XRFWNDKFKVDCCA-GJZGRUSLSA-N -1 3 393.495 3.566 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380969 609162757 /nfs/dbraw/zinc/16/27/57/609162757.db2.gz XRFWNDKFKVDCCA-GJZGRUSLSA-N -1 3 393.495 3.566 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC000826233434 609165003 /nfs/dbraw/zinc/16/50/03/609165003.db2.gz HHKMVZSTUNROLJ-GOSISDBHSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC000826233434 609165004 /nfs/dbraw/zinc/16/50/04/609165004.db2.gz HHKMVZSTUNROLJ-GOSISDBHSA-N -1 3 384.443 3.553 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824237931 609206477 /nfs/dbraw/zinc/20/64/77/609206477.db2.gz WYCGDCORAWSGSW-CQSZACIVSA-N -1 3 392.385 3.731 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824237931 609206478 /nfs/dbraw/zinc/20/64/78/609206478.db2.gz WYCGDCORAWSGSW-CQSZACIVSA-N -1 3 392.385 3.731 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826253649 609257845 /nfs/dbraw/zinc/25/78/45/609257845.db2.gz XYUQWUXRWUFIEW-ZDUSSCGKSA-N -1 3 398.850 3.781 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826253649 609257846 /nfs/dbraw/zinc/25/78/46/609257846.db2.gz XYUQWUXRWUFIEW-ZDUSSCGKSA-N -1 3 398.850 3.781 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ncc(Cl)cc1Cl ZINC000824292919 609269003 /nfs/dbraw/zinc/26/90/03/609269003.db2.gz DXNWREQZZVTHPW-UHFFFAOYSA-N -1 3 377.279 3.979 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ncc(Cl)cc1Cl ZINC000824292919 609269004 /nfs/dbraw/zinc/26/90/04/609269004.db2.gz DXNWREQZZVTHPW-UHFFFAOYSA-N -1 3 377.279 3.979 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826211304 609275758 /nfs/dbraw/zinc/27/57/58/609275758.db2.gz XCIYZDCMPHIDFD-VIFPVBQESA-N -1 3 379.342 3.789 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826211304 609275761 /nfs/dbraw/zinc/27/57/61/609275761.db2.gz XCIYZDCMPHIDFD-VIFPVBQESA-N -1 3 379.342 3.789 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662415 609279124 /nfs/dbraw/zinc/27/91/24/609279124.db2.gz JNSORYUBQDVVRP-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662415 609279125 /nfs/dbraw/zinc/27/91/25/609279125.db2.gz JNSORYUBQDVVRP-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H]1COCCN1c1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825006921 609280149 /nfs/dbraw/zinc/28/01/49/609280149.db2.gz SOVATVSZVPFPCC-VFNWGFHPSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@@H]1COCCN1c1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825006921 609280151 /nfs/dbraw/zinc/28/01/51/609280151.db2.gz SOVATVSZVPFPCC-VFNWGFHPSA-N -1 3 390.491 3.581 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000824136656 609282045 /nfs/dbraw/zinc/28/20/45/609282045.db2.gz UGDQLSVYSACKQQ-UHFFFAOYSA-N -1 3 376.464 3.754 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000824136656 609282047 /nfs/dbraw/zinc/28/20/47/609282047.db2.gz UGDQLSVYSACKQQ-UHFFFAOYSA-N -1 3 376.464 3.754 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000824288718 609289749 /nfs/dbraw/zinc/28/97/49/609289749.db2.gz LAIPLDNJKJXYAL-UHFFFAOYSA-N -1 3 388.834 3.756 20 0 GHADHM CC(C)N(C)c1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000824288718 609289750 /nfs/dbraw/zinc/28/97/50/609289750.db2.gz LAIPLDNJKJXYAL-UHFFFAOYSA-N -1 3 388.834 3.756 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826299807 609292081 /nfs/dbraw/zinc/29/20/81/609292081.db2.gz WEPFPFZVSBMCKS-UHFFFAOYSA-N -1 3 396.882 3.545 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826299807 609292082 /nfs/dbraw/zinc/29/20/82/609292082.db2.gz WEPFPFZVSBMCKS-UHFFFAOYSA-N -1 3 396.882 3.545 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccco1 ZINC000826472421 609298011 /nfs/dbraw/zinc/29/80/11/609298011.db2.gz KETAVLVKBSTPRU-UHFFFAOYSA-N -1 3 383.795 3.549 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccco1 ZINC000826472421 609298013 /nfs/dbraw/zinc/29/80/13/609298013.db2.gz KETAVLVKBSTPRU-UHFFFAOYSA-N -1 3 383.795 3.549 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826337340 609307797 /nfs/dbraw/zinc/30/77/97/609307797.db2.gz LDVKQZKHEJQDRY-UHFFFAOYSA-N -1 3 385.478 3.591 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826337340 609307799 /nfs/dbraw/zinc/30/77/99/609307799.db2.gz LDVKQZKHEJQDRY-UHFFFAOYSA-N -1 3 385.478 3.591 20 0 GHADHM Cn1cc(C=Cc2ccc3cccc(O)c3n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359240 609307877 /nfs/dbraw/zinc/30/78/77/609307877.db2.gz ARBAWCRSWBBMBO-BENRWUELSA-N -1 3 395.426 3.691 20 0 GHADHM Cn1cc(C=Cc2ccc3cccc(O)c3n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359240 609307878 /nfs/dbraw/zinc/30/78/78/609307878.db2.gz ARBAWCRSWBBMBO-BENRWUELSA-N -1 3 395.426 3.691 20 0 GHADHM Clc1cccnc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826354162 609307994 /nfs/dbraw/zinc/30/79/94/609307994.db2.gz RICBTNPUWJRYBK-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cccnc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826354162 609307996 /nfs/dbraw/zinc/30/79/96/609307996.db2.gz RICBTNPUWJRYBK-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Fc1cccc(-n2ccc(NCc3cnc(C4CCC4)s3)n2)c1-c1nnn[n-]1 ZINC000826376971 609320951 /nfs/dbraw/zinc/32/09/51/609320951.db2.gz ZKRPCVBEYNWFBM-UHFFFAOYSA-N -1 3 396.455 3.528 20 0 GHADHM CC(C)(C)OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824119174 609323690 /nfs/dbraw/zinc/32/36/90/609323690.db2.gz CEFVGKKPUKJIEV-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CC(C)(C)OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824119174 609323692 /nfs/dbraw/zinc/32/36/92/609323692.db2.gz CEFVGKKPUKJIEV-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM Fc1cccc2c1OCCC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826377747 609324415 /nfs/dbraw/zinc/32/44/15/609324415.db2.gz DTOGYZNJPIIIKT-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1cccc2c1OCCC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826377747 609324417 /nfs/dbraw/zinc/32/44/17/609324417.db2.gz DTOGYZNJPIIIKT-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM c1ccc(-c2ccc(OCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)cn2)cc1 ZINC000826519118 609330263 /nfs/dbraw/zinc/33/02/63/609330263.db2.gz KWRCEIBOKMHRRI-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2ccc(OCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)cn2)cc1 ZINC000826519118 609330265 /nfs/dbraw/zinc/33/02/65/609330265.db2.gz KWRCEIBOKMHRRI-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM C[C@@H](NCc1ccc(OC2CCCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824619742 609331944 /nfs/dbraw/zinc/33/19/44/609331944.db2.gz ZQNVSFMKVHJMMR-CQSZACIVSA-N -1 3 396.470 3.963 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CC[C@@H](C2CC2)C1 ZINC000826474394 609332883 /nfs/dbraw/zinc/33/28/83/609332883.db2.gz NVWOEHXVMYVVOC-OAHLLOKOSA-N -1 3 375.432 3.531 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CC[C@@H](C2CC2)C1 ZINC000826474394 609332885 /nfs/dbraw/zinc/33/28/85/609332885.db2.gz NVWOEHXVMYVVOC-OAHLLOKOSA-N -1 3 375.432 3.531 20 0 GHADHM CC1(C)C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824788547 609347793 /nfs/dbraw/zinc/34/77/93/609347793.db2.gz ACDULNJFNDNOAS-SFHVURJKSA-N -1 3 391.475 3.610 20 0 GHADHM CC1(C)C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824788547 609347794 /nfs/dbraw/zinc/34/77/94/609347794.db2.gz ACDULNJFNDNOAS-SFHVURJKSA-N -1 3 391.475 3.610 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826161182 609347908 /nfs/dbraw/zinc/34/79/08/609347908.db2.gz WZZZWNARERGCNQ-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1c(Cl)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826161182 609347909 /nfs/dbraw/zinc/34/79/09/609347909.db2.gz WZZZWNARERGCNQ-LLVKDONJSA-N -1 3 391.834 3.858 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826210990 609349779 /nfs/dbraw/zinc/34/97/79/609349779.db2.gz LTGFKXPKMMJGPD-SECBINFHSA-N -1 3 379.342 3.789 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210990 609349781 /nfs/dbraw/zinc/34/97/81/609349781.db2.gz LTGFKXPKMMJGPD-SECBINFHSA-N -1 3 379.342 3.789 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824762127 609355319 /nfs/dbraw/zinc/35/53/19/609355319.db2.gz DXIQWHLWGFLDEB-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824762127 609355321 /nfs/dbraw/zinc/35/53/21/609355321.db2.gz DXIQWHLWGFLDEB-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328642 609366364 /nfs/dbraw/zinc/36/63/64/609366364.db2.gz YHLYBWMDYCGDDN-JTQLQIEISA-N -1 3 379.449 3.668 20 0 GHADHM Cc1nc2cc(NC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328642 609366367 /nfs/dbraw/zinc/36/63/67/609366367.db2.gz YHLYBWMDYCGDDN-JTQLQIEISA-N -1 3 379.449 3.668 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000826116540 609376791 /nfs/dbraw/zinc/37/67/91/609376791.db2.gz AQSMSTADCOYFBC-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000826116540 609376794 /nfs/dbraw/zinc/37/67/94/609376794.db2.gz AQSMSTADCOYFBC-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000824255205 609377771 /nfs/dbraw/zinc/37/77/71/609377771.db2.gz CJMYSUARHYHXCH-ICSRJNTNSA-N -1 3 399.539 3.693 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000824255205 609377773 /nfs/dbraw/zinc/37/77/73/609377773.db2.gz CJMYSUARHYHXCH-ICSRJNTNSA-N -1 3 399.539 3.693 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1F ZINC000824948308 609380466 /nfs/dbraw/zinc/38/04/66/609380466.db2.gz TUXOKPSKHRNXEL-SCLBCKFNSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1F ZINC000824948308 609380467 /nfs/dbraw/zinc/38/04/67/609380467.db2.gz TUXOKPSKHRNXEL-SCLBCKFNSA-N -1 3 396.426 3.871 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824086838 609398030 /nfs/dbraw/zinc/39/80/30/609398030.db2.gz NSBLWPKUYPLGCS-NSHDSACASA-N -1 3 375.782 3.617 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824086838 609398031 /nfs/dbraw/zinc/39/80/31/609398031.db2.gz NSBLWPKUYPLGCS-NSHDSACASA-N -1 3 375.782 3.617 20 0 GHADHM CC(C)c1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000824348098 609404158 /nfs/dbraw/zinc/40/41/58/609404158.db2.gz ZIMZTDMQOQUHCQ-UHFFFAOYSA-N -1 3 389.419 3.758 20 0 GHADHM CC(C)c1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000824348098 609404160 /nfs/dbraw/zinc/40/41/60/609404160.db2.gz ZIMZTDMQOQUHCQ-UHFFFAOYSA-N -1 3 389.419 3.758 20 0 GHADHM CCC1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCOCC1 ZINC000825164905 609418614 /nfs/dbraw/zinc/41/86/14/609418614.db2.gz MBPUGGYHJPSPLR-UHFFFAOYSA-N -1 3 378.432 3.646 20 0 GHADHM CCC1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCOCC1 ZINC000825164905 609418617 /nfs/dbraw/zinc/41/86/17/609418617.db2.gz MBPUGGYHJPSPLR-UHFFFAOYSA-N -1 3 378.432 3.646 20 0 GHADHM Cc1csc(Sc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c(C)c2)n1 ZINC000826320787 609452946 /nfs/dbraw/zinc/45/29/46/609452946.db2.gz DNTBXTQKJNXQOH-UHFFFAOYSA-N -1 3 397.489 3.672 20 0 GHADHM Cc1csc(Sc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c(C)c2)n1 ZINC000826320787 609452948 /nfs/dbraw/zinc/45/29/48/609452948.db2.gz DNTBXTQKJNXQOH-UHFFFAOYSA-N -1 3 397.489 3.672 20 0 GHADHM Fc1cc(NCc2cccc(-c3nnn[n-]3)c2F)c(F)cc1Br ZINC000826373078 609481536 /nfs/dbraw/zinc/48/15/36/609481536.db2.gz YQHXTFWUZYCQJA-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(NCc2cccc(-c3nn[n-]n3)c2F)c(F)cc1Br ZINC000826373078 609481537 /nfs/dbraw/zinc/48/15/37/609481537.db2.gz YQHXTFWUZYCQJA-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)nn1-c1cc(C)cc(C)c1 ZINC000826264683 609481626 /nfs/dbraw/zinc/48/16/26/609481626.db2.gz WPQLFEZJCODDKF-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)nn1-c1cc(C)cc(C)c1 ZINC000826264683 609481627 /nfs/dbraw/zinc/48/16/27/609481627.db2.gz WPQLFEZJCODDKF-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000826278412 609481980 /nfs/dbraw/zinc/48/19/80/609481980.db2.gz AYHAFSHZTGEABC-UHFFFAOYSA-N -1 3 381.440 3.529 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000826278412 609481982 /nfs/dbraw/zinc/48/19/82/609481982.db2.gz AYHAFSHZTGEABC-UHFFFAOYSA-N -1 3 381.440 3.529 20 0 GHADHM Fc1cc(NCc2ccncc2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372918 609484208 /nfs/dbraw/zinc/48/42/08/609484208.db2.gz RLGMPALGIYZCHQ-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cc(NCc2ccncc2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372918 609484210 /nfs/dbraw/zinc/48/42/10/609484210.db2.gz RLGMPALGIYZCHQ-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C12CCC(CC1)C2 ZINC000826455534 609489518 /nfs/dbraw/zinc/48/95/18/609489518.db2.gz SMXQGLGJCYABTH-UHFFFAOYSA-N -1 3 376.420 3.573 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C12CCC(CC1)C2 ZINC000826455534 609489521 /nfs/dbraw/zinc/48/95/21/609489521.db2.gz SMXQGLGJCYABTH-UHFFFAOYSA-N -1 3 376.420 3.573 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000824329162 609490265 /nfs/dbraw/zinc/49/02/65/609490265.db2.gz JYTKICWIGNAWPP-UHFFFAOYSA-N -1 3 393.426 3.795 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000824329162 609490267 /nfs/dbraw/zinc/49/02/67/609490267.db2.gz JYTKICWIGNAWPP-UHFFFAOYSA-N -1 3 393.426 3.795 20 0 GHADHM Cc1ccc(-c2n[nH]cc2CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000826273569 609491286 /nfs/dbraw/zinc/49/12/86/609491286.db2.gz JQHYDIXRHPYVRM-UHFFFAOYSA-N -1 3 379.424 3.558 20 0 GHADHM Cc1ccc(-c2n[nH]cc2CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000826273569 609491287 /nfs/dbraw/zinc/49/12/87/609491287.db2.gz JQHYDIXRHPYVRM-UHFFFAOYSA-N -1 3 379.424 3.558 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1-c1nnn[n-]1 ZINC000824329161 609492549 /nfs/dbraw/zinc/49/25/49/609492549.db2.gz JXNJMESBFSFPHX-MRXNPFEDSA-N -1 3 386.481 3.574 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1-c1nn[n-]n1 ZINC000824329161 609492552 /nfs/dbraw/zinc/49/25/52/609492552.db2.gz JXNJMESBFSFPHX-MRXNPFEDSA-N -1 3 386.481 3.574 20 0 GHADHM CC(C)Oc1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1-c1nnn[n-]1 ZINC000824329759 609492572 /nfs/dbraw/zinc/49/25/72/609492572.db2.gz UYZLXUZLVXQOAF-UHFFFAOYSA-N -1 3 397.870 3.806 20 0 GHADHM CC(C)Oc1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1-c1nn[n-]n1 ZINC000824329759 609492574 /nfs/dbraw/zinc/49/25/74/609492574.db2.gz UYZLXUZLVXQOAF-UHFFFAOYSA-N -1 3 397.870 3.806 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000826231851 609510637 /nfs/dbraw/zinc/51/06/37/609510637.db2.gz GJHMPSAAOMMRFA-GFCCVEGCSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1 ZINC000826231851 609510640 /nfs/dbraw/zinc/51/06/40/609510640.db2.gz GJHMPSAAOMMRFA-GFCCVEGCSA-N -1 3 376.445 3.732 20 0 GHADHM O=C(NC[C@@H]1CCCCS1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435024 609513723 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Cc1nc2c(s1)[C@@H](N(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1)CCC2 ZINC000826328494 609552319 /nfs/dbraw/zinc/55/23/19/609552319.db2.gz SOLLQFJQUMYIHQ-LBPRGKRZSA-N -1 3 375.889 3.502 20 0 GHADHM Cc1nc2c(s1)[C@@H](N(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1)CCC2 ZINC000826328494 609552322 /nfs/dbraw/zinc/55/23/22/609552322.db2.gz SOLLQFJQUMYIHQ-LBPRGKRZSA-N -1 3 375.889 3.502 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826339947 609614780 /nfs/dbraw/zinc/61/47/80/609614780.db2.gz AKENNTRNYQMMHG-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826339947 609614781 /nfs/dbraw/zinc/61/47/81/609614781.db2.gz AKENNTRNYQMMHG-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826467315 609623558 /nfs/dbraw/zinc/62/35/58/609623558.db2.gz QOIQZLKJKUIFSE-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826467315 609623559 /nfs/dbraw/zinc/62/35/59/609623559.db2.gz QOIQZLKJKUIFSE-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000613240542 837441183 /nfs/dbraw/zinc/44/11/83/837441183.db2.gz FNIXGXWTFIMKBM-LBPRGKRZSA-N -1 3 398.406 3.821 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)cc1 ZINC000414388858 837589491 /nfs/dbraw/zinc/58/94/91/837589491.db2.gz NPYNFRGOGRWXQU-NSHDSACASA-N -1 3 378.425 3.585 20 0 GHADHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000187236233 837604242 /nfs/dbraw/zinc/60/42/42/837604242.db2.gz BAISIQTWJOICNY-UHFFFAOYSA-N -1 3 388.427 3.806 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1SC ZINC000414390461 837612239 /nfs/dbraw/zinc/61/22/39/837612239.db2.gz XOEFLBXBXZKDAV-UHFFFAOYSA-N -1 3 389.445 3.862 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)ccc1OC(F)F ZINC000636319852 837689763 /nfs/dbraw/zinc/68/97/63/837689763.db2.gz WJBMMCRFUOBSJN-UHFFFAOYSA-N -1 3 383.782 3.635 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(Cl)c(OC)c1 ZINC000414397126 837715909 /nfs/dbraw/zinc/71/59/09/837715909.db2.gz QSDPQVPHPQREED-UHFFFAOYSA-N -1 3 397.880 3.997 20 0 GHADHM CC(C)Oc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(Cl)c1 ZINC000636323081 837724128 /nfs/dbraw/zinc/72/41/28/837724128.db2.gz YCRGUJPGYROAIB-UHFFFAOYSA-N -1 3 375.856 3.820 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000583480264 834463756 /nfs/dbraw/zinc/46/37/56/834463756.db2.gz DPAXEILPDPAXMZ-GJZGRUSLSA-N -1 3 377.448 3.550 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001267368353 834535835 /nfs/dbraw/zinc/53/58/35/834535835.db2.gz IRADTENUHMADRD-UHFFFAOYSA-N -1 3 391.330 3.599 20 0 GHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc(C(F)(F)F)c1 ZINC000683119865 834539291 /nfs/dbraw/zinc/53/92/91/834539291.db2.gz IREMGURMNWDDNN-INIZCTEOSA-N -1 3 392.377 3.963 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(CC)c2[O-])c1C ZINC000094056950 834716529 /nfs/dbraw/zinc/71/65/29/834716529.db2.gz OZESOUFZSCUZFT-UHFFFAOYSA-N -1 3 376.478 3.667 20 0 GHADHM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000146024169 834819163 /nfs/dbraw/zinc/81/91/63/834819163.db2.gz KVFCOBYUMOZMGP-UHFFFAOYSA-N -1 3 384.823 3.523 20 0 GHADHM O=c1[n-]c(CN2CCC(OCc3ccccc3)CC2)nc2c3ccccc3oc21 ZINC000198104433 834851336 /nfs/dbraw/zinc/85/13/36/834851336.db2.gz RLGJFHDTATXUNU-UHFFFAOYSA-N -1 3 389.455 3.851 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCO1 ZINC000935277292 834872737 /nfs/dbraw/zinc/87/27/37/834872737.db2.gz JYLDXSUAYSJXRC-KZULUSFZSA-N -1 3 378.419 3.520 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cn1C ZINC000135662591 834897577 /nfs/dbraw/zinc/89/75/77/834897577.db2.gz SBHHZLRDBBUBNC-UHFFFAOYSA-N -1 3 397.667 3.573 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(C=Cc4ccc[nH]4)n3)n[n-]2)c1 ZINC000583708185 834902618 /nfs/dbraw/zinc/90/26/18/834902618.db2.gz KYMXOQCQYRQTKD-VOTSOKGWSA-N -1 3 383.209 3.783 20 0 GHADHM COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000187604058 837822012 /nfs/dbraw/zinc/82/20/12/837822012.db2.gz DFVVKZCUFCCRDL-UHFFFAOYSA-N -1 3 392.390 3.937 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C(C)(C)C)cc1Cl ZINC000431584554 834996839 /nfs/dbraw/zinc/99/68/39/834996839.db2.gz IVCOFOAGKBHOML-UHFFFAOYSA-N -1 3 378.897 3.788 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1C ZINC000583793629 835044587 /nfs/dbraw/zinc/04/45/87/835044587.db2.gz PROKCHOZQJDAEU-YJYMSZOUSA-N -1 3 388.489 3.566 20 0 GHADHM O=C([O-])c1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000263483162 835046709 /nfs/dbraw/zinc/04/67/09/835046709.db2.gz ONJOFKCASCPLLL-UHFFFAOYSA-N -1 3 388.851 3.595 20 0 GHADHM O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1cc(Br)ccc1[O-] ZINC000583793266 835052402 /nfs/dbraw/zinc/05/24/02/835052402.db2.gz YCOZIQXEPVLGKW-AWEZNQCLSA-N -1 3 392.249 3.504 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H](O)c1ccccc1 ZINC000728594950 835052944 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CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1F ZINC000655204165 835377454 /nfs/dbraw/zinc/37/74/54/835377454.db2.gz GDOXPHZKFOCXRV-LJQANCHMSA-N -1 3 394.450 3.892 20 0 GHADHM O=C(CC1CCCCC1)NC1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000132820287 835428517 /nfs/dbraw/zinc/42/85/17/835428517.db2.gz QJMXKSBXYNEMNK-UHFFFAOYSA-N -1 3 390.499 3.793 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(COc2ccc(Br)cc2)o1 ZINC000612072299 835456102 /nfs/dbraw/zinc/45/61/02/835456102.db2.gz DXITUYCQGYHJBR-UHFFFAOYSA-N -1 3 389.205 3.974 20 0 GHADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c(F)c1 ZINC000047270581 835681745 /nfs/dbraw/zinc/68/17/45/835681745.db2.gz ZRNWFSPDVZTGHF-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)c(F)cc1F ZINC000512990194 844077829 /nfs/dbraw/zinc/07/78/29/844077829.db2.gz CONSTOHKUKANRJ-KBXCAEBGSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000021700242 835789826 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CCOc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000047417191 836073170 /nfs/dbraw/zinc/07/31/70/836073170.db2.gz DUPIGNKJODKJSZ-UHFFFAOYSA-N -1 3 393.515 3.889 20 0 GHADHM CO[C@H](CC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(F)(F)F ZINC001211528163 844126476 /nfs/dbraw/zinc/12/64/76/844126476.db2.gz GICZLTKIXJJMOC-SNVBAGLBSA-N -1 3 394.242 3.856 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@H](Cc2ccccc2)C1 ZINC000429961370 844126725 /nfs/dbraw/zinc/12/67/25/844126725.db2.gz KNLBQDNBALTPSP-OAHLLOKOSA-N -1 3 399.292 3.615 20 0 GHADHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc2c(c1)oc1ccccc12 ZINC000650183785 836260375 /nfs/dbraw/zinc/26/03/75/836260375.db2.gz LEYTVUBCZUKFQK-UHFFFAOYSA-N -1 3 399.390 3.976 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@]34CCc3ccccc34)c2)n1 ZINC000174650820 836518375 /nfs/dbraw/zinc/51/83/75/836518375.db2.gz VWAZFIQORPTHML-YKSBVNFPSA-N -1 3 385.467 3.842 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)cc(=O)[n-]1 ZINC000332748041 836524985 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O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000134224648 836931815 /nfs/dbraw/zinc/93/18/15/836931815.db2.gz JWIYCEXWDHKEHD-GFCCVEGCSA-N -1 3 399.413 3.714 20 0 GHADHM O=C(Nc1cc(F)c(F)cc1Br)c1c[n-]c2ccccc2c1=O ZINC001266438350 836944667 /nfs/dbraw/zinc/94/46/67/836944667.db2.gz KFEXBKMNSNOEIG-UHFFFAOYSA-N -1 3 379.160 3.821 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175866957 837037753 /nfs/dbraw/zinc/03/77/53/837037753.db2.gz VDKAQUWDIBDVGY-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM COc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc(OC)c1[O-] ZINC000275447023 837057679 /nfs/dbraw/zinc/05/76/79/837057679.db2.gz NFPDPOHWUOPNSF-SGTLLEGYSA-N -1 3 391.851 3.665 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cn(Cc2ccccc2)nn1 ZINC000134274477 837135140 /nfs/dbraw/zinc/13/51/40/837135140.db2.gz QSADUNVIGTVHEY-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC000275503746 837144616 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3.696 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000177747533 838212745 /nfs/dbraw/zinc/21/27/45/838212745.db2.gz MHNWLTNKGVPITG-UHFFFAOYSA-N -1 3 394.500 3.550 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H](c2ccsc2)O1 ZINC000412183532 838331286 /nfs/dbraw/zinc/33/12/86/838331286.db2.gz HWBYZLNTKUMWKA-ZBEGNZNMSA-N -1 3 388.876 3.845 20 0 GHADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1 ZINC000782911109 838361615 /nfs/dbraw/zinc/36/16/15/838361615.db2.gz SMYMNMKWZZENFX-UHFFFAOYSA-N -1 3 382.413 3.512 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000179181138 838528860 /nfs/dbraw/zinc/52/88/60/838528860.db2.gz FQVMTZLHOPQFRE-SNVBAGLBSA-N -1 3 380.238 3.663 20 0 GHADHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000311636524 838539554 /nfs/dbraw/zinc/53/95/54/838539554.db2.gz NZMQRROBLQJQOF-IUCAKERBSA-N -1 3 384.748 3.665 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181348910 838582621 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GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)c3ccco3)cs2)c1 ZINC000183377646 838969578 /nfs/dbraw/zinc/96/95/78/838969578.db2.gz HBFWKDOYHNEGIZ-ZDUSSCGKSA-N -1 3 399.472 3.765 20 0 GHADHM C[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183504728 839000794 /nfs/dbraw/zinc/00/07/94/839000794.db2.gz QJKRHOWWHYZWLU-UTKZUKDTSA-N -1 3 380.488 3.902 20 0 GHADHM CCC[C@H](CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183626962 839018387 /nfs/dbraw/zinc/01/83/87/839018387.db2.gz QCWOIOFWPOCTHH-ZDUSSCGKSA-N -1 3 375.494 3.647 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183595534 839022579 /nfs/dbraw/zinc/02/25/79/839022579.db2.gz TYMLEBJAUZXURA-CHWSQXEVSA-N -1 3 375.494 3.503 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000024432059 839096986 /nfs/dbraw/zinc/09/69/86/839096986.db2.gz PBXSEFRHAYIWOO-UHFFFAOYSA-N -1 3 394.718 3.578 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c([O-])c1 ZINC000110333962 844401933 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COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C)cc1C ZINC000471574100 839522017 /nfs/dbraw/zinc/52/20/17/839522017.db2.gz OKGOIBLEHXZNSS-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000580433789 839552727 /nfs/dbraw/zinc/55/27/27/839552727.db2.gz WPDXRAFYIKRRQV-LJQANCHMSA-N -1 3 382.460 3.731 20 0 GHADHM CCCCc1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000053610417 839624880 /nfs/dbraw/zinc/62/48/80/839624880.db2.gz CEGGIEAJXRNSEN-UHFFFAOYSA-N -1 3 392.887 3.622 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000021221410 839632063 /nfs/dbraw/zinc/63/20/63/839632063.db2.gz YIAAMWBJFFPEET-UHFFFAOYSA-N -1 3 378.469 3.889 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000580497150 839676345 /nfs/dbraw/zinc/67/63/45/839676345.db2.gz OSWDBUDAHILULZ-ZWKOTPCHSA-N -1 3 379.453 3.617 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1nc(C2CC2)no1 ZINC000891290099 839689463 /nfs/dbraw/zinc/68/94/63/839689463.db2.gz LZIZEJHWPWFHTI-UHFFFAOYSA-N -1 3 375.791 3.545 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c2[O-] ZINC000181808551 839773481 /nfs/dbraw/zinc/77/34/81/839773481.db2.gz BLLDGDGOOWDARU-OAHLLOKOSA-N -1 3 391.258 3.958 20 0 GHADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000728299211 839773659 /nfs/dbraw/zinc/77/36/59/839773659.db2.gz DXZRJPVWIGNHJV-LLVKDONJSA-N -1 3 387.379 3.995 20 0 GHADHM COc1ccc(F)c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)c1OC ZINC000472812360 839831524 /nfs/dbraw/zinc/83/15/24/839831524.db2.gz ZHZIVDVCDLNRRM-UHFFFAOYSA-N -1 3 379.409 3.588 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(Cc4ccccc4C)CC3)c12 ZINC000580717553 840054799 /nfs/dbraw/zinc/05/47/99/840054799.db2.gz ZTQRXXNUIQJYLJ-UHFFFAOYSA-N -1 3 396.516 3.637 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)n3nc(C)cc3C)c2)n1 ZINC000500366037 840269227 /nfs/dbraw/zinc/26/92/27/840269227.db2.gz ICKSHQLSKYUEGR-HNNXBMFYSA-N -1 3 379.464 3.815 20 0 GHADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312343143 840274766 /nfs/dbraw/zinc/27/47/66/840274766.db2.gz LHYKPYOVLBVNQU-VIFPVBQESA-N -1 3 378.675 3.605 20 0 GHADHM O=C(Nc1ncccc1[O-])c1csc(-c2cc(Br)cs2)n1 ZINC000059856380 840285940 /nfs/dbraw/zinc/28/59/40/840285940.db2.gz BRSSORUUQJFKOK-UHFFFAOYSA-N -1 3 382.264 3.987 20 0 GHADHM O=C(COc1ccccc1NC(=O)c1cc([O-])ccc1Cl)Nc1cccnc1 ZINC000500391231 840338041 /nfs/dbraw/zinc/33/80/41/840338041.db2.gz PDIQHUGCGQOAHQ-UHFFFAOYSA-N -1 3 397.818 3.710 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417002650 840359066 /nfs/dbraw/zinc/35/90/66/840359066.db2.gz AWHFTVGTWNWQJG-CQSZACIVSA-N -1 3 380.492 3.852 20 0 GHADHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cn1 ZINC000255237237 840380258 /nfs/dbraw/zinc/38/02/58/840380258.db2.gz XUOQFKDIGDNQFC-FPLPWBNLSA-N -1 3 384.299 3.813 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1noc(Cc2ccccc2)n1 ZINC000431922624 840480967 /nfs/dbraw/zinc/48/09/67/840480967.db2.gz FQIMIPIMRMHCLE-OAHLLOKOSA-N -1 3 399.516 3.997 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000581118185 840733323 /nfs/dbraw/zinc/73/33/23/840733323.db2.gz RMFRAYNCVJKVPS-QGZVFWFLSA-N -1 3 394.471 3.802 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(C)n([C@@H](C)CC)n2)c(C(=O)OCC)[n-]1 ZINC000581167027 840815746 /nfs/dbraw/zinc/81/57/46/840815746.db2.gz BMNAMZIKORIZIB-LBPRGKRZSA-N -1 3 375.473 3.657 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(I)ccc1[O-] ZINC000610486417 840851661 /nfs/dbraw/zinc/85/16/61/840851661.db2.gz WNISZPPOBXLOSF-QMTHXVAHSA-N -1 3 389.233 3.531 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3cc(I)ccc3[O-])cc2n1 ZINC000610490774 840980288 /nfs/dbraw/zinc/98/02/88/840980288.db2.gz IOFSKVHYURAJKU-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM Cc1nc(CCCNCc2c(F)cccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000417551445 840993743 /nfs/dbraw/zinc/99/37/43/840993743.db2.gz ZSLYVZMXESDREW-UHFFFAOYSA-N -1 3 392.374 3.910 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000417624833 841076287 /nfs/dbraw/zinc/07/62/87/841076287.db2.gz ORUPURANMGBOEF-MRXNPFEDSA-N -1 3 377.412 3.750 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCCC2(CC2)C1 ZINC000430571513 841176680 /nfs/dbraw/zinc/17/66/80/841176680.db2.gz NYTOCLKEYMMBFJ-UHFFFAOYSA-N -1 3 395.684 3.960 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@H](CC(C)C)C1 ZINC000651630979 841178177 /nfs/dbraw/zinc/17/81/77/841178177.db2.gz XVRVBJHHNOSIMO-NWDGAFQWSA-N -1 3 396.372 3.691 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000613763125 841224082 /nfs/dbraw/zinc/22/40/82/841224082.db2.gz NCZYMANMZISONI-NSHDSACASA-N -1 3 376.444 3.507 20 0 GHADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000614115425 844621330 /nfs/dbraw/zinc/62/13/30/844621330.db2.gz SORZNJAFPCGDTP-UHFFFAOYSA-N -1 3 393.424 3.503 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1C ZINC000467080220 841245399 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0 GHADHM O=C([O-])[C@H](CNCc1cn(C2CCC2)nn1)Cc1ccc(-c2ccccc2)cc1 ZINC000656564278 841425693 /nfs/dbraw/zinc/42/56/93/841425693.db2.gz HYRQHDFNDZXXND-FQEVSTJZSA-N -1 3 390.487 3.703 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)c2)n1 ZINC000049303694 841501783 /nfs/dbraw/zinc/50/17/83/841501783.db2.gz AAAWVXMIVKINPT-RTBURBONSA-N -1 3 377.419 3.881 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1)C1CCCCC1 ZINC000656616931 841575359 /nfs/dbraw/zinc/57/53/59/841575359.db2.gz WAGXJIMSASXJPL-GOSISDBHSA-N -1 3 382.526 3.618 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1)C1CCCC1 ZINC000656618129 841576246 /nfs/dbraw/zinc/57/62/46/841576246.db2.gz UNIHVDLVDMJHIQ-GOSISDBHSA-N -1 3 378.494 3.905 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000500183688 841586478 /nfs/dbraw/zinc/58/64/78/841586478.db2.gz MMURPALOMGPSTM-AWEZNQCLSA-N -1 3 393.484 3.605 20 0 GHADHM CCCCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000025343530 841780479 /nfs/dbraw/zinc/78/04/79/841780479.db2.gz HPVHXBDVTNJERL-UHFFFAOYSA-N -1 3 393.336 3.744 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430617658 841783870 /nfs/dbraw/zinc/78/38/70/841783870.db2.gz OBAQFCQMPWWBNX-SCZZXKLOSA-N -1 3 383.673 3.862 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000119147960 841857279 /nfs/dbraw/zinc/85/72/79/841857279.db2.gz OBXQDANXLGJLJB-WDEREUQCSA-N -1 3 378.416 3.842 20 0 GHADHM C[C@H](N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1(C)CC1 ZINC000184153604 841860068 /nfs/dbraw/zinc/86/00/68/841860068.db2.gz DVUKZJAENKPALY-JXFKEZNVSA-N -1 3 380.488 3.900 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000656756066 841889682 /nfs/dbraw/zinc/88/96/82/841889682.db2.gz AEMPTCQRSQRPAX-NEPJUHHUSA-N -1 3 385.304 3.713 20 0 GHADHM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909370802 842025108 /nfs/dbraw/zinc/02/51/08/842025108.db2.gz DECPWFYZGHGUPE-NQIIRXRSSA-N -1 3 398.478 3.678 20 0 GHADHM CC(C)[C@@H](C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430647269 842091242 /nfs/dbraw/zinc/09/12/42/842091242.db2.gz FGLAFAJUNIZEEG-VIFPVBQESA-N -1 3 385.689 3.966 20 0 GHADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512035264 842232184 /nfs/dbraw/zinc/23/21/84/842232184.db2.gz ODYUOWPXSCQDDS-QGZVFWFLSA-N -1 3 380.492 3.938 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)c1nccs1 ZINC000656907686 842253345 /nfs/dbraw/zinc/25/33/45/842253345.db2.gz NOUZVJCSMBSCNK-LLVKDONJSA-N -1 3 395.731 3.989 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)c(C)c1 ZINC000127312856 842253679 /nfs/dbraw/zinc/25/36/79/842253679.db2.gz UXEUEKXFEUKHCL-UHFFFAOYSA-N -1 3 390.574 3.961 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000178162450 842280417 /nfs/dbraw/zinc/28/04/17/842280417.db2.gz LUBUTMJGHMMOIZ-CVEARBPZSA-N -1 3 380.444 3.597 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000247466642 842335067 /nfs/dbraw/zinc/33/50/67/842335067.db2.gz CUDZZPMHDSXNKU-UHFFFAOYSA-N -1 3 394.740 3.960 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000247466642 842335078 /nfs/dbraw/zinc/33/50/78/842335078.db2.gz CUDZZPMHDSXNKU-UHFFFAOYSA-N -1 3 394.740 3.960 20 0 GHADHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1OC ZINC000652373350 842390205 /nfs/dbraw/zinc/39/02/05/842390205.db2.gz RMYRUUMGZOZAPF-QGZVFWFLSA-N -1 3 383.366 3.980 20 0 GHADHM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000663107244 842484916 /nfs/dbraw/zinc/48/49/16/842484916.db2.gz HAZYQRKBMFWLGH-HSZRJFAPSA-N -1 3 384.520 3.535 20 0 GHADHM Cc1cnc(CCN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c(C)c1 ZINC000652490099 842627880 /nfs/dbraw/zinc/62/78/80/842627880.db2.gz VOAIUEHQOSRVBY-SFHVURJKSA-N -1 3 389.293 3.515 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)c1cc2ccccc2o1 ZINC001211524045 842818143 /nfs/dbraw/zinc/81/81/43/842818143.db2.gz UWRVPSRCSOQZHA-SNVBAGLBSA-N -1 3 381.251 3.630 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000548370919 842836773 /nfs/dbraw/zinc/83/67/73/842836773.db2.gz HBQNURADNRBTEI-LBPRGKRZSA-N -1 3 376.236 3.935 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)cc1C(C)C ZINC000663256555 842925460 /nfs/dbraw/zinc/92/54/60/842925460.db2.gz VRRKUXPYTCHBHQ-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM Cn1nc(C(F)(F)F)cc1CN[C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000663261306 842940288 /nfs/dbraw/zinc/94/02/88/842940288.db2.gz AHVPBFMTGBIWQN-GOSISDBHSA-N -1 3 381.398 3.580 20 0 GHADHM CC(C)(C)CN(CC(=O)[O-])Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000662225569 842969920 /nfs/dbraw/zinc/96/99/20/842969920.db2.gz LPXGKZXPGUJPGD-UHFFFAOYSA-N -1 3 385.489 3.997 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C)c1 ZINC000186163853 843055047 /nfs/dbraw/zinc/05/50/47/843055047.db2.gz AYTTWBJSYSEXOH-ZDUSSCGKSA-N -1 3 391.427 3.700 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)s1 ZINC000510662552 843151063 /nfs/dbraw/zinc/15/10/63/843151063.db2.gz MGBOEMPGEHISGY-QMMMGPOBSA-N -1 3 393.303 3.647 20 0 GHADHM COC(=O)c1cc([C@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)oc1C ZINC000430899060 843152666 /nfs/dbraw/zinc/15/26/66/843152666.db2.gz GRSVAMJBCLTRTO-ZDUSSCGKSA-N -1 3 388.445 3.608 20 0 GHADHM COC(=O)c1cc([C@H](C)S(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)oc1C ZINC000430899060 843152673 /nfs/dbraw/zinc/15/26/73/843152673.db2.gz GRSVAMJBCLTRTO-ZDUSSCGKSA-N -1 3 388.445 3.608 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)ccc1F ZINC000471892368 843296105 /nfs/dbraw/zinc/29/61/05/843296105.db2.gz HVALMWGFRHHDLR-GFCCVEGCSA-N -1 3 393.415 3.671 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000731042632 861427358 /nfs/dbraw/zinc/42/73/58/861427358.db2.gz UTDZUCAYRCWYIB-UHFFFAOYSA-N -1 3 398.850 3.858 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)cc2Br)[n-]c1=O ZINC000432708944 843560867 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CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000728962872 844635279 /nfs/dbraw/zinc/63/52/79/844635279.db2.gz QSZLBUBBAGNVQZ-UHFFFAOYSA-N -1 3 384.432 3.951 20 0 GHADHM Cc1c([O-])ccc2c(CN(Cc3cc[nH]n3)Cc3ccccc3)cc(=O)oc12 ZINC000729266289 844819806 /nfs/dbraw/zinc/81/98/06/844819806.db2.gz VIPNAGCPTYQBOV-UHFFFAOYSA-N -1 3 375.428 3.733 20 0 GHADHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000657198609 845139884 /nfs/dbraw/zinc/13/98/84/845139884.db2.gz CRWQTDKGJONYBZ-UHFFFAOYSA-N -1 3 380.322 3.534 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433641693 845148563 /nfs/dbraw/zinc/14/85/63/845148563.db2.gz HLSRHIGUUGTZOA-UHFFFAOYSA-N -1 3 396.715 3.651 20 0 GHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[O-] ZINC000663969204 845172808 /nfs/dbraw/zinc/17/28/08/845172808.db2.gz GADPXFHLNDBEQO-QWRGUYRKSA-N -1 3 383.288 3.798 20 0 GHADHM O=C(CCC(=O)NC1CCCC1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000535912135 845220674 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Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(OCc3cccnc3)cc2)c1[O-] ZINC000031642872 850195886 /nfs/dbraw/zinc/19/58/86/850195886.db2.gz KPAAZXBGYCHCIV-HURLIOHXSA-N -1 3 377.444 3.742 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(OCC(C)C)cc3)nc2)n1 ZINC000518844646 850236908 /nfs/dbraw/zinc/23/69/08/850236908.db2.gz GKDAAQSZJZWTRS-UHFFFAOYSA-N -1 3 392.503 3.918 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccsc1 ZINC000908801540 850369172 /nfs/dbraw/zinc/36/91/72/850369172.db2.gz IEQSJLHPUUADOM-UZLBHIALSA-N -1 3 395.569 3.854 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)CCCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000514930683 850499130 /nfs/dbraw/zinc/49/91/30/850499130.db2.gz XKVQREVEVNIHPH-IBGZPJMESA-N -1 3 392.455 3.545 20 0 GHADHM COc1ccc(OCc2nc(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000424629098 850582005 /nfs/dbraw/zinc/58/20/05/850582005.db2.gz XGSFROLHMNUMCX-ACJLOTCBSA-N -1 3 378.494 3.566 20 0 GHADHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000732224397 862157305 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CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505304772 850808177 /nfs/dbraw/zinc/80/81/77/850808177.db2.gz JEXOLULTCXLIJQ-UHFFFAOYSA-N -1 3 383.429 3.633 20 0 GHADHM Cc1ccc([O-])c(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000506765148 850838948 /nfs/dbraw/zinc/83/89/48/850838948.db2.gz AFTGSJFAHFPONN-UHFFFAOYSA-N -1 3 387.789 3.838 20 0 GHADHM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)[C@H]2CCCC[C@H]12 ZINC000909957506 850870345 /nfs/dbraw/zinc/87/03/45/850870345.db2.gz DAMSJFPPFNQDIG-NJYVYQBISA-N -1 3 384.520 3.778 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]([C@H]4CCCCO4)C3)cc2)cc(=O)[n-]1 ZINC000664410777 850904882 /nfs/dbraw/zinc/90/48/82/850904882.db2.gz ZRMDSKUEKYCGQY-FXAWDEMLSA-N -1 3 396.491 3.971 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732306415 862187155 /nfs/dbraw/zinc/18/71/55/862187155.db2.gz RZMQKRYXEKQWRB-NSHDSACASA-N -1 3 375.350 3.715 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)cc2C)c1 ZINC000434345121 850999546 /nfs/dbraw/zinc/99/95/46/850999546.db2.gz UYRLVERILSBDFJ-UHFFFAOYSA-N -1 3 391.265 3.694 20 0 GHADHM COc1ccc(SCCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000435934226 851007574 /nfs/dbraw/zinc/00/75/74/851007574.db2.gz GNAYXDSNCHOXCB-UHFFFAOYSA-N -1 3 394.518 3.578 20 0 GHADHM COc1cc(C(=O)N(C)Cc2ccc(Br)cc2C)cc(OC)c1[O-] ZINC000434343630 851018171 /nfs/dbraw/zinc/01/81/71/851018171.db2.gz VUFAWEUCZSREIP-UHFFFAOYSA-N -1 3 394.265 3.753 20 0 GHADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)C4CC4)cc3)ccc2O1 ZINC000440300807 851037100 /nfs/dbraw/zinc/03/71/00/851037100.db2.gz FRRQACUBXPQFBA-UHFFFAOYSA-N -1 3 386.473 3.549 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000434391672 851045650 /nfs/dbraw/zinc/04/56/50/851045650.db2.gz UDVINNSYUOMSNA-HNNXBMFYSA-N -1 3 391.471 3.798 20 0 GHADHM COc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc(OC)c1[O-] ZINC000513954297 851057471 /nfs/dbraw/zinc/05/74/71/851057471.db2.gz BFSRQMPGWKIKEF-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM COc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)cc(OC)c1[O-] ZINC000513956919 851059175 /nfs/dbraw/zinc/05/91/75/851059175.db2.gz MKRNFWNGEGVMCO-UHFFFAOYSA-N -1 3 393.439 3.885 20 0 GHADHM Cn1c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)nc2cc(Cl)ccc21 ZINC000426634656 851060579 /nfs/dbraw/zinc/06/05/79/851060579.db2.gz OWEJPWKHXCTFAF-UHFFFAOYSA-N -1 3 398.894 3.684 20 0 GHADHM O=C([O-])[C@@H](CNCc1ccc(-c2ccncc2)cc1F)Oc1ccc(F)cc1 ZINC000426644705 851087067 /nfs/dbraw/zinc/08/70/67/851087067.db2.gz ABNRKAIAKLEGFV-HXUWFJFHSA-N -1 3 384.382 3.649 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000514048211 851171449 /nfs/dbraw/zinc/17/14/49/851171449.db2.gz VHTQUAQTRKWTGW-UHFFFAOYSA-N -1 3 388.412 3.760 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000515631248 851272613 /nfs/dbraw/zinc/27/26/13/851272613.db2.gz PRLPBGBIHBRXAF-IBGZPJMESA-N -1 3 375.490 3.998 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1[O-] ZINC000110494632 851290634 /nfs/dbraw/zinc/29/06/34/851290634.db2.gz YWFVZZYLKNIARV-UHFFFAOYSA-N -1 3 383.473 3.742 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1csc(-c2ccccc2)n1 ZINC000443941431 862227829 /nfs/dbraw/zinc/22/78/29/862227829.db2.gz KUFQUFOEGMEWDI-UHFFFAOYSA-N -1 3 385.514 3.562 20 0 GHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(F)(F)F ZINC000443944044 862229945 /nfs/dbraw/zinc/22/99/45/862229945.db2.gz OYDVDIWVAZEEGJ-BMIGLBTASA-N -1 3 376.400 3.905 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1 ZINC000436192520 851323382 /nfs/dbraw/zinc/32/33/82/851323382.db2.gz UKYUKSLLNXBAAK-UHFFFAOYSA-N -1 3 398.406 3.637 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nccn2-c2ccccc2)[n-]c1-c1ccccc1 ZINC000434634548 851369659 /nfs/dbraw/zinc/36/96/59/851369659.db2.gz BKYODOJZXNSYKK-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nccn2-c2ccccc2)nc1-c1ccccc1 ZINC000434634548 851369663 /nfs/dbraw/zinc/36/96/63/851369663.db2.gz BKYODOJZXNSYKK-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccnc(C)c3)cc2)cc1 ZINC000436282718 851404176 /nfs/dbraw/zinc/40/41/76/851404176.db2.gz UEXSZSPUHCEIQE-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000436356695 851496854 /nfs/dbraw/zinc/49/68/54/851496854.db2.gz WKBVQSXUDXBZCE-MRXNPFEDSA-N -1 3 381.398 3.850 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cc(F)cc(Cl)c1)c1c(Cl)cccc1Cl ZINC000785396635 851498890 /nfs/dbraw/zinc/49/88/90/851498890.db2.gz FWGPHTYJWVJIPF-CYBMUJFWSA-N -1 3 398.670 3.798 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)COC(=O)c3cncc([O-])c3)cc2)c1 ZINC000732393391 862257121 /nfs/dbraw/zinc/25/71/21/862257121.db2.gz QBLXITAQYWWCRB-UHFFFAOYSA-N -1 3 378.384 3.683 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000911110033 851578681 /nfs/dbraw/zinc/57/86/81/851578681.db2.gz WTIDKQDPHYORLB-VQIMIIECSA-N -1 3 398.528 3.819 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1SCCc2sccc21 ZINC000430107037 851583883 /nfs/dbraw/zinc/58/38/83/851583883.db2.gz SIASENNDICHTEQ-CQSZACIVSA-N -1 3 394.319 3.549 20 0 GHADHM C[C@@H]1CCc2nc(CNC3CCN(c4ccc(C(=O)[O-])cc4)CC3)sc2C1 ZINC000426661722 851631089 /nfs/dbraw/zinc/63/10/89/851631089.db2.gz DWOIZXSSYLAYSU-CQSZACIVSA-N -1 3 385.533 3.725 20 0 GHADHM CCCN(C(=O)c1cc(C(=O)[O-])cnc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911226900 851651714 /nfs/dbraw/zinc/65/17/14/851651714.db2.gz FLZAEMLXYZIMFK-HXUWFJFHSA-N -1 3 395.503 3.605 20 0 GHADHM Cc1ccc([C@H](CNC(=O)CCc2ccccc2C(=O)[O-])N2CCCC2)cc1 ZINC000911294366 851670589 /nfs/dbraw/zinc/67/05/89/851670589.db2.gz ALTLOFYDSYEFCI-NRFANRHFSA-N -1 3 380.488 3.579 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)N2CCCC2)cc1 ZINC000911296753 851671270 /nfs/dbraw/zinc/67/12/70/851671270.db2.gz QGVABUOECHXMDU-IBGZPJMESA-N -1 3 386.879 3.914 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1oc2c(c1C)c(C)ccc2C ZINC000911281679 851675646 /nfs/dbraw/zinc/67/56/46/851675646.db2.gz HLUIBCKFBYDXQV-KRWDZBQOSA-N -1 3 386.492 3.759 20 0 GHADHM COc1ccccc1C1(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000488669400 851685500 /nfs/dbraw/zinc/68/55/00/851685500.db2.gz FFCMXSAQVBSXPT-UHFFFAOYSA-N -1 3 376.250 3.511 20 0 GHADHM CC(C)(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000911477625 851745408 /nfs/dbraw/zinc/74/54/08/851745408.db2.gz CDNAHJJFHRCOLV-UHFFFAOYSA-N -1 3 386.536 3.925 20 0 GHADHM Cc1cccc([C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C(C)(C)C)c1 ZINC000488844904 851814653 /nfs/dbraw/zinc/81/46/53/851814653.db2.gz XNCYSIYSXRDVDQ-NRFANRHFSA-N -1 3 380.492 3.806 20 0 GHADHM O=S(=O)([N-]Cc1ccc(N2CCCCCC2)nc1)c1cc(F)ccc1Cl ZINC000488965173 851898221 /nfs/dbraw/zinc/89/82/21/851898221.db2.gz BTPAKGZFHPUXQY-UHFFFAOYSA-N -1 3 397.903 3.733 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)N(C)c1ccccc1 ZINC000488968832 851901928 /nfs/dbraw/zinc/90/19/28/851901928.db2.gz GQPYGLGLBIDKJA-LBPRGKRZSA-N -1 3 390.402 3.648 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436532526 852023830 /nfs/dbraw/zinc/02/38/30/852023830.db2.gz RSWNKFFKKOTQPL-OAQYLSRUSA-N -1 3 375.472 3.792 20 0 GHADHM COc1cccc(C(=O)Nc2nnc(SCc3cccs3)s2)c1[O-] ZINC000436535127 852027760 /nfs/dbraw/zinc/02/77/60/852027760.db2.gz MMLIUBPSFDGEGM-UHFFFAOYSA-N -1 3 379.488 3.858 20 0 GHADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1C(=O)NC(C)C ZINC000436555004 852042268 /nfs/dbraw/zinc/04/22/68/852042268.db2.gz HOFRALAJIQGTGS-UHFFFAOYSA-N -1 3 382.460 3.805 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([O-])c1 ZINC000436537612 852047315 /nfs/dbraw/zinc/04/73/15/852047315.db2.gz SEPVMQAAWCQQGF-OAHLLOKOSA-N -1 3 381.407 3.910 20 0 GHADHM COc1cc(-c2nc(COc3ccc(Cl)c(F)c3)no2)cc(OC)c1[O-] ZINC000436559964 852063194 /nfs/dbraw/zinc/06/31/94/852063194.db2.gz BDJIUTJASFXSBA-UHFFFAOYSA-N -1 3 380.759 3.831 20 0 GHADHM CC(C)n1nc2c(c1NC(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000473794136 852066744 /nfs/dbraw/zinc/06/67/44/852066744.db2.gz AWIIOLVYDAOZEY-UHFFFAOYSA-N -1 3 393.285 3.743 20 0 GHADHM O=C(NCCCCCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436563697 852066995 /nfs/dbraw/zinc/06/69/95/852066995.db2.gz IJHRMFIWZQWXIT-FQEVSTJZSA-N -1 3 380.488 3.526 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436634760 852128859 /nfs/dbraw/zinc/12/88/59/852128859.db2.gz LFQBTGOWCAFKCN-IBGZPJMESA-N -1 3 377.444 3.942 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1ccccc1Cl ZINC000436666608 852164178 /nfs/dbraw/zinc/16/41/78/852164178.db2.gz UQPSVKINMCQPCF-ZDUSSCGKSA-N -1 3 379.840 3.650 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2)n1 ZINC000436676442 852184170 /nfs/dbraw/zinc/18/41/70/852184170.db2.gz PKKFEPAYSWYIOV-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H]3COC(C)(C)C3)nc(=O)c2c1C ZINC000600571050 862331212 /nfs/dbraw/zinc/33/12/12/862331212.db2.gz CIMFAMRARZLQDQ-QWRGUYRKSA-N -1 3 396.534 3.831 20 0 GHADHM CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(O)cc1[O-] ZINC000436702546 852219793 /nfs/dbraw/zinc/21/97/93/852219793.db2.gz ASWYMAATRLBVOU-LBPRGKRZSA-N -1 3 376.250 3.837 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@H]1C ZINC000436727070 852229432 /nfs/dbraw/zinc/22/94/32/852229432.db2.gz XGRKUPFSGVLNJH-SJORKVTESA-N -1 3 380.488 3.502 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(Br)s2)c([O-])c1 ZINC000180780104 862336321 /nfs/dbraw/zinc/33/63/21/862336321.db2.gz KRHYMZSPVGKFNE-UHFFFAOYSA-N -1 3 384.251 3.574 20 0 GHADHM CSc1nnc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])s1 ZINC000436735624 852252920 /nfs/dbraw/zinc/25/29/20/852252920.db2.gz GWPVYXIKTZQVFH-UHFFFAOYSA-N -1 3 385.514 3.681 20 0 GHADHM C[C@H](c1ccc(OC(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436730978 852270405 /nfs/dbraw/zinc/27/04/05/852270405.db2.gz JHVKAQHCCOWIPX-CQSZACIVSA-N -1 3 376.403 3.513 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1CC(F)(F)F ZINC000436733512 852275357 /nfs/dbraw/zinc/27/53/57/852275357.db2.gz VZHWUIOZCLMVDF-OAHLLOKOSA-N -1 3 392.421 3.692 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(Cl)c(Cl)c3)nc21 ZINC000438361886 852303936 /nfs/dbraw/zinc/30/39/36/852303936.db2.gz YEIGPKASQLRGNS-UHFFFAOYSA-N -1 3 378.215 3.838 20 0 GHADHM COc1cc(CCC2CCN(C(=O)c3ccc(O)cc3[O-])CC2)cc(OC)c1 ZINC000436773310 852306230 /nfs/dbraw/zinc/30/62/30/852306230.db2.gz RFHGMEYZHZQXBB-UHFFFAOYSA-N -1 3 385.460 3.600 20 0 GHADHM O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436776638 852311573 /nfs/dbraw/zinc/31/15/73/852311573.db2.gz VOEMKBGCUBHWNW-UHFFFAOYSA-N -1 3 399.450 3.625 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([O-])c1 ZINC000436785952 852338430 /nfs/dbraw/zinc/33/84/30/852338430.db2.gz WORTWBQGWAKHOV-AWEZNQCLSA-N -1 3 391.427 3.539 20 0 GHADHM COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436792280 852351121 /nfs/dbraw/zinc/35/11/21/852351121.db2.gz MYZHIFMESWLTHD-UHFFFAOYSA-N -1 3 387.823 3.509 20 0 GHADHM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000436806062 852364881 /nfs/dbraw/zinc/36/48/81/852364881.db2.gz FLXMJHOSZVMIJM-UHFFFAOYSA-N -1 3 381.476 3.814 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(F)c2)c1 ZINC000426761924 852369299 /nfs/dbraw/zinc/36/92/99/852369299.db2.gz FMQHLWGCFAPNSK-MRXNPFEDSA-N -1 3 382.229 3.902 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cc(-n2ccnc2)ccn1 ZINC000489476068 852380668 /nfs/dbraw/zinc/38/06/68/852380668.db2.gz NHODVBZNLJRGNS-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c([O-])c1 ZINC000436834512 852385213 /nfs/dbraw/zinc/38/52/13/852385213.db2.gz POORYRVIGZADTJ-MHZLTWQESA-N -1 3 387.501 3.635 20 0 GHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000436821340 852390981 /nfs/dbraw/zinc/39/09/81/852390981.db2.gz OXBPTHWTIPTODA-CYBMUJFWSA-N -1 3 394.402 3.980 20 0 GHADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000436842606 852407501 /nfs/dbraw/zinc/40/75/01/852407501.db2.gz YQLXHSMBNPPWNK-UHFFFAOYSA-N -1 3 376.456 3.672 20 0 GHADHM CCc1ccc([C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436850984 852417390 /nfs/dbraw/zinc/41/73/90/852417390.db2.gz KAFPVPHUYSNIDU-PZJWPPBQSA-N -1 3 392.499 3.575 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)c([O-])c1 ZINC000436863445 852427809 /nfs/dbraw/zinc/42/78/09/852427809.db2.gz KJZDTSXEZDMZPU-HSZRJFAPSA-N -1 3 397.471 3.528 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(c1ccccc1)c1ccccc1 ZINC000517798682 852436470 /nfs/dbraw/zinc/43/64/70/852436470.db2.gz QDZZKYCTYGZYFP-OAHLLOKOSA-N -1 3 384.435 3.521 20 0 GHADHM CCSc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436882685 852454450 /nfs/dbraw/zinc/45/44/50/852454450.db2.gz UPFMBOPSKPOSJV-UHFFFAOYSA-N -1 3 384.501 3.539 20 0 GHADHM COc1cccc(-c2nc(-c3cc(Br)ccc3OC)no2)c1[O-] ZINC000436909453 852476372 /nfs/dbraw/zinc/47/63/72/852476372.db2.gz AKWKQPRXPKTFJC-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(C(C)(C)C)no2)c1[O-] ZINC000436895451 852481977 /nfs/dbraw/zinc/48/19/77/852481977.db2.gz WXIWLWDRDAZTRF-UHFFFAOYSA-N -1 3 391.427 3.844 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436913749 852491555 /nfs/dbraw/zinc/49/15/55/852491555.db2.gz JTLWVVRAFBCDDD-PBEJRMEISA-N -1 3 380.488 3.948 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCSC2(CCOCC2)C1 ZINC000436914552 852494042 /nfs/dbraw/zinc/49/40/42/852494042.db2.gz JYKBONJOFUQRBB-UHFFFAOYSA-N -1 3 397.540 3.916 20 0 GHADHM CSc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436921870 852502549 /nfs/dbraw/zinc/50/25/49/852502549.db2.gz XOXKCPJHQWVRCV-UHFFFAOYSA-N -1 3 385.489 3.540 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000436927164 852508254 /nfs/dbraw/zinc/50/82/54/852508254.db2.gz MTRWPYXTUFHWRP-JCNLHEQBSA-N -1 3 386.879 3.536 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2ccccc2)c1 ZINC000436964046 852535393 /nfs/dbraw/zinc/53/53/93/852535393.db2.gz QSPPOIRVLNXECQ-CQSZACIVSA-N -1 3 393.443 3.817 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000473851329 852536096 /nfs/dbraw/zinc/53/60/96/852536096.db2.gz QPSBAAJRLNGDFL-HXUWFJFHSA-N -1 3 399.454 3.788 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000436969343 852539763 /nfs/dbraw/zinc/53/97/63/852539763.db2.gz ZLTKEAPEERCKAI-MPBGBICISA-N -1 3 391.427 3.604 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(C(C)(C)C)c1O ZINC000436972521 852556503 /nfs/dbraw/zinc/55/65/03/852556503.db2.gz PHEAVXIHPHHCBU-UHFFFAOYSA-N -1 3 380.448 3.807 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)c([O-])c1 ZINC000436975264 852559400 /nfs/dbraw/zinc/55/94/00/852559400.db2.gz IWSVWUOTKTVETH-UHFFFAOYSA-N -1 3 399.487 3.829 20 0 GHADHM CCCN(CC(C)C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436980328 852567139 /nfs/dbraw/zinc/56/71/39/852567139.db2.gz PITLSXUUKFFQAA-UHFFFAOYSA-N -1 3 389.521 3.847 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc3c2ccn3C)[nH][n-]1 ZINC000522670937 862378922 /nfs/dbraw/zinc/37/89/22/862378922.db2.gz MGSAYMUZOGIJFE-UHFFFAOYSA-N -1 3 380.835 3.905 20 0 GHADHM CCOCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000517974704 852667831 /nfs/dbraw/zinc/66/78/31/852667831.db2.gz UNTMPKROGBDPQE-UHFFFAOYSA-N -1 3 390.505 3.859 20 0 GHADHM NC1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)CCCCC1 ZINC000519596446 852668501 /nfs/dbraw/zinc/66/85/01/852668501.db2.gz FFHYFELYUOXAOL-UHFFFAOYSA-N -1 3 398.488 3.656 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427079730 852695451 /nfs/dbraw/zinc/69/54/51/852695451.db2.gz CPJVFXZQYWYZST-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427079730 852695453 /nfs/dbraw/zinc/69/54/53/852695453.db2.gz CPJVFXZQYWYZST-HNNXBMFYSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427135352 852759477 /nfs/dbraw/zinc/75/94/77/852759477.db2.gz IYNPOZBZTVGJPQ-UHFFFAOYSA-N -1 3 376.825 3.534 20 0 GHADHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(Br)c1[O-] ZINC000518048832 852764926 /nfs/dbraw/zinc/76/49/26/852764926.db2.gz UGCMMKLGCVMXQX-KRWDZBQOSA-N -1 3 389.293 3.722 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)cc(OC)c1[O-] ZINC000490209126 852814558 /nfs/dbraw/zinc/81/45/58/852814558.db2.gz HAARDSBJESJWAJ-SNVBAGLBSA-N -1 3 385.338 3.799 20 0 GHADHM O=S(=O)([N-]CCOc1cccc(Cl)c1Cl)c1ccc(F)cc1F ZINC000516701181 852901415 /nfs/dbraw/zinc/90/14/15/852901415.db2.gz STKMUUWLUGHDMS-UHFFFAOYSA-N -1 3 382.215 3.629 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCc2cccc(F)c2)c1)C1CC1 ZINC000518185155 853049387 /nfs/dbraw/zinc/04/93/87/853049387.db2.gz LTYYXSCTUPUYJV-LJQANCHMSA-N -1 3 379.453 3.571 20 0 GHADHM CCn1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c(C(F)(F)F)n1 ZINC000437383932 853082989 /nfs/dbraw/zinc/08/29/89/853082989.db2.gz JRLKWDCXWUIOAC-UHFFFAOYSA-N -1 3 377.370 3.603 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@@H]1OCCc2sccc21 ZINC000490577514 853101899 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GHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCF)c2)cc1 ZINC000437686647 853418364 /nfs/dbraw/zinc/41/83/64/853418364.db2.gz KTNVQVTXTMZTLI-UHFFFAOYSA-N -1 3 392.496 3.838 20 0 GHADHM CC(F)(F)c1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000506111222 853433319 /nfs/dbraw/zinc/43/33/19/853433319.db2.gz DMTKAJFIBVUZLE-UHFFFAOYSA-N -1 3 380.192 3.883 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000296082652 853433932 /nfs/dbraw/zinc/43/39/32/853433932.db2.gz OQIZLQPSDWNIHX-UHFFFAOYSA-N -1 3 392.175 3.864 20 0 GHADHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2cccc3c(Br)cccc23)C1 ZINC000519828796 853519645 /nfs/dbraw/zinc/51/96/45/853519645.db2.gz QPXQYFHLMRLSSQ-UONOGXRCSA-N -1 3 378.266 3.666 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1ccc(F)cc1C(F)(F)F ZINC000518575617 853523844 /nfs/dbraw/zinc/52/38/44/853523844.db2.gz GCHJQDQAWLSBPD-CQSZACIVSA-N -1 3 377.334 3.949 20 0 GHADHM O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)c1cnn(-c2cccc(Cl)c2)c1 ZINC000054889586 853598685 /nfs/dbraw/zinc/59/86/85/853598685.db2.gz BOVKIKOSTLBZCX-UHFFFAOYSA-N -1 3 398.894 3.503 20 0 GHADHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(Br)c1[O-] ZINC000517349474 853697558 /nfs/dbraw/zinc/69/75/58/853697558.db2.gz WENSZAKUBJNTBL-AWEZNQCLSA-N -1 3 395.322 3.783 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473891463 853791210 /nfs/dbraw/zinc/79/12/10/853791210.db2.gz UEMQFKOHQYWLSZ-UHFFFAOYSA-N -1 3 391.475 3.683 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473891463 853791213 /nfs/dbraw/zinc/79/12/13/853791213.db2.gz UEMQFKOHQYWLSZ-UHFFFAOYSA-N -1 3 391.475 3.683 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000481907896 862524311 /nfs/dbraw/zinc/52/43/11/862524311.db2.gz CZCGXUYLIUMTRE-UHFFFAOYSA-N -1 3 386.805 3.995 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000112634933 854280253 /nfs/dbraw/zinc/28/02/53/854280253.db2.gz QYCOHLYLGTUKRV-UHFFFAOYSA-N -1 3 391.290 3.933 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc3cccc(Cl)c3n2C)sc1Cl ZINC000473943070 854383345 /nfs/dbraw/zinc/38/33/45/854383345.db2.gz RNOWTBLYJIFBFW-UHFFFAOYSA-N -1 3 390.317 3.729 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cnn(Cc3ccccc3)c2)sc1Cl ZINC000473955692 854411691 /nfs/dbraw/zinc/41/16/91/854411691.db2.gz HZHDHXWUONAEDX-CYBMUJFWSA-N -1 3 395.937 3.994 20 0 GHADHM COc1ccc(-c2nc(CN3[C@H](C)[C@H](C(=O)[O-])CC[C@@H]3C)cs2)c(OC)c1 ZINC000572180880 854434615 /nfs/dbraw/zinc/43/46/15/854434615.db2.gz RYWSBMCPSZQPNI-WOSRLPQWSA-N -1 3 390.505 3.901 20 0 GHADHM CCn1ccnc1CN[C@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000623993493 862569508 /nfs/dbraw/zinc/56/95/08/862569508.db2.gz UCFOMDWSFJPFAY-MRXNPFEDSA-N -1 3 384.505 3.555 20 0 GHADHM O=C(N[N-]C(=O)c1ccccc1Br)N[C@@H](c1ccccc1)C1CC1 ZINC000045348395 854515017 /nfs/dbraw/zinc/51/50/17/854515017.db2.gz CRCUZVCZKPOIBO-INIZCTEOSA-N -1 3 388.265 3.544 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000588864610 854557114 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COc1ccc([C@H](C[N-]S(=O)(=O)c2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000188559900 854877501 /nfs/dbraw/zinc/87/75/01/854877501.db2.gz ONLQJAUMPMEEAS-SFHVURJKSA-N -1 3 396.468 3.880 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccc(COC(C)C)cc3)c([O-])c2c(OC)c1 ZINC000624589396 854924285 /nfs/dbraw/zinc/92/42/85/854924285.db2.gz TYYHDXOYXPXIOF-UHFFFAOYSA-N -1 3 396.443 3.723 20 0 GHADHM COc1cc(F)c([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC000114501432 854978308 /nfs/dbraw/zinc/97/83/08/854978308.db2.gz GFIVSZXBIPKXRY-LLVKDONJSA-N -1 3 397.406 3.676 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000589685997 855106905 /nfs/dbraw/zinc/10/69/05/855106905.db2.gz JSXGRTJDNQXLCE-NRFANRHFSA-N -1 3 394.858 3.681 20 0 GHADHM CC(C)(C)C[C@H]1CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482049860 862642748 /nfs/dbraw/zinc/64/27/48/862642748.db2.gz OGFUPZBTRHQHTG-CQSZACIVSA-N -1 3 379.302 3.951 20 0 GHADHM CO[C@@H]1CC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000665056119 855169224 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COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCCCc1ccc(Cl)cc1 ZINC001128100073 855526790 /nfs/dbraw/zinc/52/67/90/855526790.db2.gz PONYGDOIENQIDO-UHFFFAOYSA-N -1 3 392.839 3.593 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000056409782 855541315 /nfs/dbraw/zinc/54/13/15/855541315.db2.gz KMARRWZUERNIBN-UHFFFAOYSA-N -1 3 382.869 3.509 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1F ZINC000542758782 855660332 /nfs/dbraw/zinc/66/03/32/855660332.db2.gz KTBUYEFYDWCCON-GDBMZVCRSA-N -1 3 387.835 3.817 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000520582047 855706504 /nfs/dbraw/zinc/70/65/04/855706504.db2.gz KYWNFSGGFVEKKB-IMFGXOCKSA-N -1 3 386.536 3.833 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]nc2-c2ccccc2)[nH][n-]1 ZINC000605022008 862712366 /nfs/dbraw/zinc/71/23/66/862712366.db2.gz JCQAZGBQPRMLKV-UHFFFAOYSA-N -1 3 393.834 3.803 20 0 GHADHM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1ncccc1[O-] ZINC000181000545 862712540 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GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2csc(C(C)(C)C)n2)[n-]1 ZINC000895105418 856042236 /nfs/dbraw/zinc/04/22/36/856042236.db2.gz SNUZUOUTMQOZBH-ZDUSSCGKSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc3c(F)cccc3c2)[n-]1 ZINC000895107611 856063347 /nfs/dbraw/zinc/06/33/47/856063347.db2.gz ZXKCFPSCGZKMCM-INIZCTEOSA-N -1 3 385.443 3.546 20 0 GHADHM COc1cc(C)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1OC ZINC000485131857 856131774 /nfs/dbraw/zinc/13/17/74/856131774.db2.gz MWHVPEWDFYRQRG-UHFFFAOYSA-N -1 3 378.388 3.796 20 0 GHADHM COc1cc(C)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC ZINC000485131857 856131782 /nfs/dbraw/zinc/13/17/82/856131782.db2.gz MWHVPEWDFYRQRG-UHFFFAOYSA-N -1 3 378.388 3.796 20 0 GHADHM Cn1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(-c2cccs2)n1 ZINC000485120615 856134768 /nfs/dbraw/zinc/13/47/68/856134768.db2.gz HQYDZMUVSZPBDE-UHFFFAOYSA-N -1 3 390.428 3.932 20 0 GHADHM Cn1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(-c2cccs2)n1 ZINC000485120615 856134772 /nfs/dbraw/zinc/13/47/72/856134772.db2.gz HQYDZMUVSZPBDE-UHFFFAOYSA-N -1 3 390.428 3.932 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000482165945 862766893 /nfs/dbraw/zinc/76/68/93/862766893.db2.gz DWUWBCMGRWFRQP-SFHVURJKSA-N -1 3 389.297 3.873 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(Cc3nc(C4CCCCC4)no3)CC2)n1 ZINC000625660938 862770529 /nfs/dbraw/zinc/77/05/29/862770529.db2.gz KTZBUKPOBAQBGU-UHFFFAOYSA-N -1 3 385.512 3.630 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000032965596 856265420 /nfs/dbraw/zinc/26/54/20/856265420.db2.gz LBBOSOIGKSRNSS-UHFFFAOYSA-N -1 3 378.453 3.882 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c([O-])c1 ZINC000190829569 856268682 /nfs/dbraw/zinc/26/86/82/856268682.db2.gz QPRMRGMZFMOLLQ-UHFFFAOYSA-N -1 3 385.386 3.596 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000033181433 856282408 /nfs/dbraw/zinc/28/24/08/856282408.db2.gz ZQGYSJLAOIYHNZ-GDBMZVCRSA-N -1 3 390.480 3.935 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000520752608 856330648 /nfs/dbraw/zinc/33/06/48/856330648.db2.gz TUVSQYBZAZZZBJ-ZBFHGGJFSA-N -1 3 383.245 3.577 20 0 GHADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000485368294 856413191 /nfs/dbraw/zinc/41/31/91/856413191.db2.gz OQBJRRAWCFFVKH-UHFFFAOYSA-N -1 3 391.761 3.670 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cc2nnc3ccccn32)cc1 ZINC000110095678 856446515 /nfs/dbraw/zinc/44/65/15/856446515.db2.gz JXDFWGKXCXLMQX-UHFFFAOYSA-N -1 3 396.447 3.568 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C)(C(=O)OC(C)(C)C)CC3)nc2)n1 ZINC000591987023 856554138 /nfs/dbraw/zinc/55/41/38/856554138.db2.gz FYGDKWFVDQOPDR-UHFFFAOYSA-N -1 3 398.507 3.755 20 0 GHADHM O=C([O-])c1cc2n(n1)CCC[C@H]2NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000905795459 856594846 /nfs/dbraw/zinc/59/48/46/856594846.db2.gz PXESKUZVIGSDRF-CQSZACIVSA-N -1 3 394.258 3.789 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCO[C@H](c3ccccc3)C2)s1 ZINC000905809330 856610215 /nfs/dbraw/zinc/61/02/15/856610215.db2.gz XNJPIXDJXDVEQZ-AWEZNQCLSA-N -1 3 389.477 3.704 20 0 GHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3n[nH]c([C@@H]4CCCO4)n3)n2)c1 ZINC000656207934 856711950 /nfs/dbraw/zinc/71/19/50/856711950.db2.gz HGEAIEUNGDXYEE-NSHDSACASA-N -1 3 381.223 3.625 20 0 GHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3nc([C@@H]4CCCO4)n[nH]3)n2)c1 ZINC000656207934 856711960 /nfs/dbraw/zinc/71/19/60/856711960.db2.gz HGEAIEUNGDXYEE-NSHDSACASA-N -1 3 381.223 3.625 20 0 GHADHM C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000672183500 856799811 /nfs/dbraw/zinc/79/98/11/856799811.db2.gz SRKBVJZUXUIPSX-YVEFUNNKSA-N -1 3 381.350 3.976 20 0 GHADHM CCOC(=O)c1csc([N-]C(=O)c2ccc(C(F)F)o2)c1C(=O)OCC ZINC000906087439 856801625 /nfs/dbraw/zinc/80/16/25/856801625.db2.gz KJUXMOJEJMQHKN-UHFFFAOYSA-N -1 3 387.360 3.884 20 0 GHADHM O=C(CCc1cccc(OCc2ccccc2)c1)N1CCCc2c(=O)[n-]cnc21 ZINC000906120722 856846233 /nfs/dbraw/zinc/84/62/33/856846233.db2.gz UIVCYTRZIIACDZ-UHFFFAOYSA-N -1 3 389.455 3.673 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1 ZINC000508127249 856965075 /nfs/dbraw/zinc/96/50/75/856965075.db2.gz XYMGZHSNJPHPKS-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000120977242 857163950 /nfs/dbraw/zinc/16/39/50/857163950.db2.gz CSUVPSYSAUQZMY-CYBMUJFWSA-N -1 3 390.480 3.985 20 0 GHADHM CC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(OC)cc1 ZINC000181447484 862884184 /nfs/dbraw/zinc/88/41/84/862884184.db2.gz JTBFNGSEIDTSPD-OAHLLOKOSA-N -1 3 378.266 3.973 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000520836472 857263794 /nfs/dbraw/zinc/26/37/94/857263794.db2.gz PDYZTONEEMPVRT-CQSZACIVSA-N -1 3 375.881 3.720 20 0 GHADHM C[C@@H](CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)c1nccs1 ZINC000187004293 862893030 /nfs/dbraw/zinc/89/30/30/862893030.db2.gz VICSODSYJGLYSB-LURJTMIESA-N -1 3 380.688 3.928 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(-c3ccc(C)o3)s2)s1 ZINC000181475570 862895533 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CSc1cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccn1 ZINC000907208885 857516748 /nfs/dbraw/zinc/51/67/48/857516748.db2.gz DRWLXNNVMFYIJO-UHFFFAOYSA-N -1 3 380.495 3.537 20 0 GHADHM Cc1nnc(SCc2c3ccccc3oc2C(=O)[N-]c2nncs2)s1 ZINC000063536959 857627312 /nfs/dbraw/zinc/62/73/12/857627312.db2.gz RKQYXPKYYIVPOO-UHFFFAOYSA-N -1 3 389.487 3.989 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000162911149 862941175 /nfs/dbraw/zinc/94/11/75/862941175.db2.gz AOCUZVMGNMCIIY-SSDOTTSWSA-N -1 3 397.266 3.532 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000070731044 857734788 /nfs/dbraw/zinc/73/47/88/857734788.db2.gz WRECEIJSZMHCCW-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000070731044 857734792 /nfs/dbraw/zinc/73/47/92/857734792.db2.gz WRECEIJSZMHCCW-UHFFFAOYSA-N -1 3 387.827 3.570 20 0 GHADHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000064851097 857749624 /nfs/dbraw/zinc/74/96/24/857749624.db2.gz 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COCC[C@@H]1CCCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000574697648 858167629 /nfs/dbraw/zinc/16/76/29/858167629.db2.gz WGJMFFHTGNLQJZ-LRDDRELGSA-N -1 3 388.277 3.853 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)n1 ZINC001128412119 858238191 /nfs/dbraw/zinc/23/81/91/858238191.db2.gz UVOXHZOGRKOKGI-UHFFFAOYSA-N -1 3 397.642 3.837 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066687414 858249888 /nfs/dbraw/zinc/24/98/88/858249888.db2.gz HHQVAQDFBKCMJM-LJQANCHMSA-N -1 3 386.810 3.534 20 0 GHADHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1 ZINC000521729959 858280478 /nfs/dbraw/zinc/28/04/78/858280478.db2.gz UNNVZNRSQQRJJH-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM CCCc1nnc([N-]C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)s1 ZINC000066756016 858282030 /nfs/dbraw/zinc/28/20/30/858282030.db2.gz CAFZTOHPWCDJPD-UHFFFAOYSA-N -1 3 388.474 3.638 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC(C)(C)c2ccccc21 ZINC000443029928 858320003 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CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000157545170 858553159 /nfs/dbraw/zinc/55/31/59/858553159.db2.gz WQZYVIAPGYCOID-UHFFFAOYSA-N -1 3 394.485 3.760 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC3(C)C)ccc2C)cc1 ZINC000443381427 858611502 /nfs/dbraw/zinc/61/15/02/858611502.db2.gz COBTYFSEECIXNO-KRWDZBQOSA-N -1 3 388.489 3.789 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000046898352 858616709 /nfs/dbraw/zinc/61/67/09/858616709.db2.gz SDBQMXCWCAPLQR-QGZVFWFLSA-N -1 3 384.436 3.716 20 0 GHADHM C[C@H](c1ccco1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522148894 858670164 /nfs/dbraw/zinc/67/01/64/858670164.db2.gz AZFZJQQNBNKMMX-SNVBAGLBSA-N -1 3 375.222 3.717 20 0 GHADHM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000059829571 858697164 /nfs/dbraw/zinc/69/71/64/858697164.db2.gz GZUGECOYHUFSHS-UHFFFAOYSA-N -1 3 384.841 3.514 20 0 GHADHM CS[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C ZINC000543166804 858721994 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GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3Br)c1 ZINC000069532100 859557562 /nfs/dbraw/zinc/55/75/62/859557562.db2.gz MWHQISYTHZXNLA-MRXNPFEDSA-N -1 3 389.249 3.530 20 0 GHADHM C[C@H](NC(=O)c1cccc(OC2CCCC2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502334 859619952 /nfs/dbraw/zinc/61/99/52/859619952.db2.gz ALBGPUXVXHJZRZ-GJZGRUSLSA-N -1 3 397.475 3.502 20 0 GHADHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000383310049 859622880 /nfs/dbraw/zinc/62/28/80/859622880.db2.gz PNYCGIPUXHXYSY-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccccc4cc3OC)nc21 ZINC000611213940 859647207 /nfs/dbraw/zinc/64/72/07/859647207.db2.gz MKQVBVZGGDMTRE-UHFFFAOYSA-N -1 3 375.384 3.764 20 0 GHADHM CCOc1nc(C)ccc1C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000484052580 859772958 /nfs/dbraw/zinc/77/29/58/859772958.db2.gz JSHXVLUXPIJRRY-UHFFFAOYSA-N -1 3 386.839 3.515 20 0 GHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccccc1Br ZINC000474388943 859979769 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O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436558830 860079791 /nfs/dbraw/zinc/07/97/91/860079791.db2.gz ZPKREFNCWZXGBO-ZDUSSCGKSA-N -1 3 380.400 3.668 20 0 GHADHM O=C([O-])COc1ccc(CCCNCc2cc(F)ccc2Br)cc1 ZINC000904072232 860097972 /nfs/dbraw/zinc/09/79/72/860097972.db2.gz CSCUFYMPKMYJRT-UHFFFAOYSA-N -1 3 396.256 3.774 20 0 GHADHM Cc1cccc(C)c1OCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000428871302 860100148 /nfs/dbraw/zinc/10/01/48/860100148.db2.gz IKYUPANUFKIFKS-UHFFFAOYSA-N -1 3 378.266 3.857 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)C/C(C)=C\c3ccccc3)nc(=O)c2c1C ZINC000494292929 881499851 /nfs/dbraw/zinc/49/98/51/881499851.db2.gz KRDMWMZLQJTWTB-RAXLEYEMSA-N -1 3 397.500 3.615 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(F)cc3n[n-]nc32)c2ccccc21 ZINC000598203171 860149272 /nfs/dbraw/zinc/14/92/72/860149272.db2.gz CTJJAOMNYOLJHS-CQSZACIVSA-N -1 3 396.422 3.573 20 0 GHADHM Cc1ccc(NC(=O)N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000526927119 860163223 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20 0 GHADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904195102 860223442 /nfs/dbraw/zinc/22/34/42/860223442.db2.gz JFRQLLAAUPWNEO-ROUUACIJSA-N -1 3 378.513 3.606 20 0 GHADHM O=C([O-])CN(Cc1cc(Br)ccc1Br)CC1CC1 ZINC000904251578 860267514 /nfs/dbraw/zinc/26/75/14/860267514.db2.gz MYKATZBAKBFFQT-UHFFFAOYSA-N -1 3 377.076 3.508 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000727835555 860286153 /nfs/dbraw/zinc/28/61/53/860286153.db2.gz SWMDBAFWEFKJRS-ANGAQGJPSA-N -1 3 398.488 3.727 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000508966602 860315396 /nfs/dbraw/zinc/31/53/96/860315396.db2.gz PLJVDYYFOYGDPC-UHFFFAOYSA-N -1 3 379.435 3.710 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000024884348 860354460 /nfs/dbraw/zinc/35/44/60/860354460.db2.gz VTXYLSHUHAZBAF-UHFFFAOYSA-N -1 3 383.473 3.671 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)o2)cc1 ZINC000024889973 860366839 /nfs/dbraw/zinc/36/68/39/860366839.db2.gz JBPKTDSUARGVKA-UHFFFAOYSA-N -1 3 398.440 3.773 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436584909 860374455 /nfs/dbraw/zinc/37/44/55/860374455.db2.gz ODSOZKOJHGOZRW-NSHDSACASA-N -1 3 396.226 3.721 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)cc1OC ZINC000765648559 860380031 /nfs/dbraw/zinc/38/00/31/860380031.db2.gz JCYGAZKDNPQWKC-WEVVVXLNSA-N -1 3 399.472 3.590 20 0 GHADHM C[C@@H]1CCN(C(=O)C(=O)c2ccc(Br)s2)c2c([O-])cccc21 ZINC000840422752 860418211 /nfs/dbraw/zinc/41/82/11/860418211.db2.gz PAYUAVJSEJIRRQ-SECBINFHSA-N -1 3 380.263 3.939 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cc3c(cc2[O-])OCO3)n1 ZINC000436621310 860450901 /nfs/dbraw/zinc/45/09/01/860450901.db2.gz VNFZFYHDIHULPS-UHFFFAOYSA-N -1 3 384.413 3.814 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1F ZINC000904488798 860475623 /nfs/dbraw/zinc/47/56/23/860475623.db2.gz LIWQAEKPJVICTB-UHFFFAOYSA-N -1 3 387.374 3.906 20 0 GHADHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1ncoc1-c1ccon1 ZINC000598814158 860595515 /nfs/dbraw/zinc/59/55/15/860595515.db2.gz HJGQNXQUPUNKRH-UHFFFAOYSA-N -1 3 375.406 3.728 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2ccc(F)cc2)CCOCC1 ZINC000098098462 860721846 /nfs/dbraw/zinc/72/18/46/860721846.db2.gz BTFFHSXEUBQSLI-UHFFFAOYSA-N -1 3 394.240 3.981 20 0 GHADHM CC[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccc(C)cc1 ZINC000127019742 860760838 /nfs/dbraw/zinc/76/08/38/860760838.db2.gz ZZINBJSYTKVVAI-MRXNPFEDSA-N -1 3 390.281 3.853 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cccc(OC(F)(F)F)c1F ZINC000489820379 860761774 /nfs/dbraw/zinc/76/17/74/860761774.db2.gz UQNQQBQMCLNUGS-UHFFFAOYSA-N -1 3 388.342 3.684 20 0 GHADHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CCC2 ZINC000443776867 860833881 /nfs/dbraw/zinc/83/38/81/860833881.db2.gz GSGPXYRFKUBUBL-GFCCVEGCSA-N -1 3 388.320 3.663 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(NC(=O)C2CC2)c1 ZINC000176433092 860873202 /nfs/dbraw/zinc/87/32/02/860873202.db2.gz ISRWPJYYTIDPOM-UHFFFAOYSA-N -1 3 375.222 3.756 20 0 GHADHM O=C(CCC(=O)c1cccs1)[N-]OCc1ccc(F)cc1Br ZINC000186650261 860921164 /nfs/dbraw/zinc/92/11/64/860921164.db2.gz GBPJLSWIUJFDOI-UHFFFAOYSA-N -1 3 386.242 3.861 20 0 GHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000625126600 860964805 /nfs/dbraw/zinc/96/48/05/860964805.db2.gz AOCYSTLFMSMAPF-SSDOTTSWSA-N -1 3 378.185 3.516 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@H]2C=CCCC2)CC1 ZINC000176820437 861051337 /nfs/dbraw/zinc/05/13/37/861051337.db2.gz WTDSQVCBGVNYHD-HNNXBMFYSA-N -1 3 377.872 3.514 20 0 GHADHM O=c1[n-]c(CN2CCc3c(ncn3-c3ccccc3)C2)nc2c3ccccc3oc21 ZINC000481325346 861063213 /nfs/dbraw/zinc/06/32/13/861063213.db2.gz ZCHLFGOLADHNDL-UHFFFAOYSA-N -1 3 397.438 3.826 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])cc1F ZINC000730364012 861071969 /nfs/dbraw/zinc/07/19/69/861071969.db2.gz ALAXAHRNJSQYKI-SNVBAGLBSA-N -1 3 396.212 3.786 20 0 GHADHM CC(C)[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCC[C@H](C)C1 ZINC000730363895 861072083 /nfs/dbraw/zinc/07/20/83/861072083.db2.gz GOROERSXGGNVGC-LRDDRELGSA-N -1 3 398.297 3.595 20 0 GHADHM Cc1ccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])c(Cl)c1 ZINC000730363550 861073673 /nfs/dbraw/zinc/07/36/73/861073673.db2.gz FLNOYJOAMNBZGU-UHFFFAOYSA-N -1 3 398.640 3.912 20 0 GHADHM C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)Nc1cccc(Cl)c1 ZINC000730367267 861079381 /nfs/dbraw/zinc/07/93/81/861079381.db2.gz IJNMRFOIQXKFDL-VIFPVBQESA-N -1 3 398.640 3.992 20 0 GHADHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1[O-] ZINC000599344775 861079587 /nfs/dbraw/zinc/07/95/87/861079587.db2.gz HEGVMGLVOAJYCS-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM COc1cc(OC)cc(Oc2ccc(CNC3(c4nn[n-]n4)CCCC3)cc2)c1 ZINC000499217625 881611918 /nfs/dbraw/zinc/61/19/18/881611918.db2.gz WCOCMBUOHWRNDM-UHFFFAOYSA-N -1 3 395.463 3.568 20 0 GHADHM COc1cc(OC)cc(Oc2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2)c1 ZINC000499217625 881611922 /nfs/dbraw/zinc/61/19/22/881611922.db2.gz WCOCMBUOHWRNDM-UHFFFAOYSA-N -1 3 395.463 3.568 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)nc(C2CC2)n3C)c(F)c1F ZINC000625194260 861120197 /nfs/dbraw/zinc/12/01/97/861120197.db2.gz MIOWJWJBXSBFSV-UHFFFAOYSA-N -1 3 391.443 3.516 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc(Nc2ccccn2)n1 ZINC000605505348 863086025 /nfs/dbraw/zinc/08/60/25/863086025.db2.gz RJQUHFXLSFJPIU-UHFFFAOYSA-N -1 3 394.485 3.976 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1Cl ZINC000605496572 863116606 /nfs/dbraw/zinc/11/66/06/863116606.db2.gz YPDKOOKTFDQRFX-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM O=C(NCCCc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000482476429 863185536 /nfs/dbraw/zinc/18/55/36/863185536.db2.gz IBQBQAZMELNMMC-UHFFFAOYSA-N -1 3 381.245 3.726 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(OCC(F)F)cc1 ZINC000182533986 863266641 /nfs/dbraw/zinc/26/66/41/863266641.db2.gz KISGEIWYNOAHFH-UHFFFAOYSA-N -1 3 379.388 3.521 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605896319 863274949 /nfs/dbraw/zinc/27/49/49/863274949.db2.gz DDOGKJOPHLZJBN-WRWLIDTKSA-N -1 3 396.462 3.541 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)c1 ZINC000182548664 863275331 /nfs/dbraw/zinc/27/53/31/863275331.db2.gz DSCPYKUOJMDQTA-UHFFFAOYSA-N -1 3 388.533 3.996 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COC(C)(C)C)cc1 ZINC000182554586 863278237 /nfs/dbraw/zinc/27/82/37/863278237.db2.gz NJFGLHQIAHJNSH-UHFFFAOYSA-N -1 3 390.505 3.858 20 0 GHADHM CCO[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C12CCCC2 ZINC000482602838 863377590 /nfs/dbraw/zinc/37/75/90/863377590.db2.gz ZIYSYEKMXQSRAD-CVEARBPZSA-N -1 3 397.313 3.692 20 0 GHADHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130531326 881680297 /nfs/dbraw/zinc/68/02/97/881680297.db2.gz AAKKSPGPJGZXBL-LJQANCHMSA-N -1 3 393.443 3.599 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000444216603 863688532 /nfs/dbraw/zinc/68/85/32/863688532.db2.gz VDIHEJYPNKRVIB-IRXDYDNUSA-N -1 3 388.533 3.659 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000606537433 863693719 /nfs/dbraw/zinc/69/37/19/863693719.db2.gz UHUYZBHRMXGKAI-LLVKDONJSA-N -1 3 397.233 3.507 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3ccnc4ccccc34)cc2)n1 ZINC000522954212 863792477 /nfs/dbraw/zinc/79/24/77/863792477.db2.gz KIFGSAKAKFBJFO-UHFFFAOYSA-N -1 3 384.439 3.865 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1OC)c1nc(C(F)(F)F)cs1 ZINC000866903646 863848601 /nfs/dbraw/zinc/84/86/01/863848601.db2.gz KFQADJVAOSSMTH-VIFPVBQESA-N -1 3 398.403 3.739 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CCC(F)(F)F ZINC000494426127 881706626 /nfs/dbraw/zinc/70/66/26/881706626.db2.gz ANHLDGKUPBLLEM-UHFFFAOYSA-N -1 3 393.258 3.546 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)cc2cccnc21 ZINC000158759665 863945438 /nfs/dbraw/zinc/94/54/38/863945438.db2.gz CDFSLDPHTPACPP-UHFFFAOYSA-N -1 3 375.197 3.772 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cc(-n2cccn2)ccn1 ZINC000522995978 864012827 /nfs/dbraw/zinc/01/28/27/864012827.db2.gz VYNXOLQJFBMKQN-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1OC ZINC000480154663 864160397 /nfs/dbraw/zinc/16/03/97/864160397.db2.gz SJJRMGQWQNDVDT-UHFFFAOYSA-N -1 3 377.249 3.515 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000475119667 864225080 /nfs/dbraw/zinc/22/50/80/864225080.db2.gz NSNJLAVLZIGDHG-UHFFFAOYSA-N -1 3 385.733 3.947 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000475119667 864225087 /nfs/dbraw/zinc/22/50/87/864225087.db2.gz NSNJLAVLZIGDHG-UHFFFAOYSA-N -1 3 385.733 3.947 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)CCC(=O)c2ccc3c(c2)CCC3)[nH][n-]1 ZINC000621530346 864228078 /nfs/dbraw/zinc/22/80/78/864228078.db2.gz DQOJRWAFYOFTFX-UHFFFAOYSA-N -1 3 389.455 3.598 20 0 GHADHM COc1ccc(CN(CC2CCC2)C(=O)N=c2cc3ccccn3[n-]2)c(OC)c1 ZINC000554438934 864309855 /nfs/dbraw/zinc/30/98/55/864309855.db2.gz IIMLSUGDRPLADT-UHFFFAOYSA-N -1 3 394.475 3.608 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c(=O)[n-]1 ZINC000104380983 864330733 /nfs/dbraw/zinc/33/07/33/864330733.db2.gz QVXLFTYPKOKHSZ-UHFFFAOYSA-N -1 3 384.439 3.783 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189239498 881759247 /nfs/dbraw/zinc/75/92/47/881759247.db2.gz SXRYSJYSIURBKR-UHFFFAOYSA-N -1 3 391.342 3.518 20 0 GHADHM CC[C@@H]1CCC[C@H](OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)C1 ZINC000734720410 864404872 /nfs/dbraw/zinc/40/48/72/864404872.db2.gz RALFWEYFZFNRAF-QAPCUYQASA-N -1 3 383.510 3.728 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000554535092 864494248 /nfs/dbraw/zinc/49/42/48/864494248.db2.gz ZXKYEKUBOFIJPR-GFCCVEGCSA-N -1 3 378.354 3.580 20 0 GHADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000163521216 864529575 /nfs/dbraw/zinc/52/95/75/864529575.db2.gz SALXOGWVYZWOLI-VXGBXAGGSA-N -1 3 377.282 3.799 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000792890153 881778629 /nfs/dbraw/zinc/77/86/29/881778629.db2.gz UUPRCFVICQIFOI-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000792890153 881778644 /nfs/dbraw/zinc/77/86/44/881778644.db2.gz UUPRCFVICQIFOI-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM CCCc1c(NC(=O)NN=c2ccc(Cl)n[n-]2)cnn1-c1cccc(F)c1 ZINC000184529632 864636575 /nfs/dbraw/zinc/63/65/75/864636575.db2.gz QXTXNDBGUQILBS-UHFFFAOYSA-N -1 3 389.822 3.556 20 0 GHADHM COc1ccccc1NC(=S)N[N-]C(=O)c1cc(SC)ccc1Cl ZINC000042082996 864647715 /nfs/dbraw/zinc/64/77/15/864647715.db2.gz UBAMLERNNOTLNX-UHFFFAOYSA-N -1 3 381.910 3.702 20 0 GHADHM Cc1nc(C)c(CC(=O)OCC/C=C/c2ccc(Br)cc2)c(=O)[n-]1 ZINC000735343149 864758794 /nfs/dbraw/zinc/75/87/94/864758794.db2.gz PIQTUDUDVUXXPY-HWKANZROSA-N -1 3 391.265 3.751 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCCN(c4ccc(F)cc4C)C3=O)n[n-]2)o1 ZINC000735346260 864763716 /nfs/dbraw/zinc/76/37/16/864763716.db2.gz QOYJXZYSKRQUID-IBGZPJMESA-N -1 3 397.406 3.778 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCCN(c4ccc(F)cc4C)C3=O)[n-]n2)o1 ZINC000735346260 864763718 /nfs/dbraw/zinc/76/37/18/864763718.db2.gz QOYJXZYSKRQUID-IBGZPJMESA-N -1 3 397.406 3.778 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H]2CCC[C@H]21 ZINC000607929904 864869307 /nfs/dbraw/zinc/86/93/07/864869307.db2.gz PVIQBKLDPNZUDV-BDJLRTHQSA-N -1 3 375.266 3.695 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480563206 864871561 /nfs/dbraw/zinc/87/15/61/864871561.db2.gz KYIIJUZISAQQTO-UHFFFAOYSA-N -1 3 391.353 3.821 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(F)c1 ZINC000735675219 864920879 /nfs/dbraw/zinc/92/08/79/864920879.db2.gz FTCYNMCRUQJNNM-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1ccc(Br)cn1 ZINC000608036554 864942138 /nfs/dbraw/zinc/94/21/38/864942138.db2.gz REMUZWSRQXMYJU-OAHLLOKOSA-N -1 3 381.295 3.664 20 0 GHADHM CCOc1ccccc1CN1CCN(C(=O)c2ccc(CC)cc2[O-])[C@H](C)C1 ZINC000622582165 865084856 /nfs/dbraw/zinc/08/48/56/865084856.db2.gz LMVTZHQQNYHLHU-QGZVFWFLSA-N -1 3 382.504 3.700 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000622739124 865193549 /nfs/dbraw/zinc/19/35/49/865193549.db2.gz VHEYEUYIVMLIML-LLVKDONJSA-N -1 3 381.398 3.740 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000736626397 865249115 /nfs/dbraw/zinc/24/91/15/865249115.db2.gz HIGVFXFXYHWMNZ-OAHLLOKOSA-N -1 3 378.432 3.681 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000736626397 865249129 /nfs/dbraw/zinc/24/91/29/865249129.db2.gz HIGVFXFXYHWMNZ-OAHLLOKOSA-N -1 3 378.432 3.681 20 0 GHADHM CCc1ccc(CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000736682855 865265198 /nfs/dbraw/zinc/26/51/98/865265198.db2.gz NLPKSCYTEXTZHK-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM CCc1ccc(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000736682855 865265211 /nfs/dbraw/zinc/26/52/11/865265211.db2.gz NLPKSCYTEXTZHK-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c(Cl)c1 ZINC000737073112 865359292 /nfs/dbraw/zinc/35/92/92/865359292.db2.gz ZMORXGPWZZXSPP-UHFFFAOYSA-N -1 3 389.868 3.721 20 0 GHADHM COc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(Cl)c1 ZINC000737073112 865359304 /nfs/dbraw/zinc/35/93/04/865359304.db2.gz ZMORXGPWZZXSPP-UHFFFAOYSA-N -1 3 389.868 3.721 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2s1 ZINC000480832432 865377028 /nfs/dbraw/zinc/37/70/28/865377028.db2.gz WYWYHNRLOZJEJN-UHFFFAOYSA-N -1 3 384.387 3.878 20 0 GHADHM FC(F)(F)c1cc(N2CCCO[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737632036 865411801 /nfs/dbraw/zinc/41/18/01/865411801.db2.gz IZEQRPJUTOXVCO-QGZVFWFLSA-N -1 3 389.381 3.854 20 0 GHADHM FC(F)(F)c1cc(N2CCCO[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737632036 865411804 /nfs/dbraw/zinc/41/18/04/865411804.db2.gz IZEQRPJUTOXVCO-QGZVFWFLSA-N -1 3 389.381 3.854 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccc(F)cc4)CC3)nc2)n1 ZINC000301585176 865438833 /nfs/dbraw/zinc/43/88/33/865438833.db2.gz QXKLTHGMLIFMNC-UHFFFAOYSA-N -1 3 394.450 3.994 20 0 GHADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738373413 865532971 /nfs/dbraw/zinc/53/29/71/865532971.db2.gz XNUAWFZNNPTQGM-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(F)cc1Cl ZINC000738376524 865533975 /nfs/dbraw/zinc/53/39/75/865533975.db2.gz KIUKHQUWJLYLPJ-UHFFFAOYSA-N -1 3 377.268 3.784 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccnc3cccnc32)CC1 ZINC000555117920 865535914 /nfs/dbraw/zinc/53/59/14/865535914.db2.gz QMASFRKFRJGYQZ-UHFFFAOYSA-N -1 3 382.851 3.844 20 0 GHADHM O=c1[n-]c(SCCC2(O)CCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000665686055 865591534 /nfs/dbraw/zinc/59/15/34/865591534.db2.gz MIFMNFBPVWRTCX-UHFFFAOYSA-N -1 3 376.869 3.572 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)nnn1-c1cccc(C)c1 ZINC000622891167 865702885 /nfs/dbraw/zinc/70/28/85/865702885.db2.gz JCRNNJFWXSCCDP-UHFFFAOYSA-N -1 3 392.850 3.602 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OC(F)F)cc3F)c[n-]c12 ZINC000555340438 865932011 /nfs/dbraw/zinc/93/20/11/865932011.db2.gz ZQISMHZPPRQZOM-UHFFFAOYSA-N -1 3 380.297 3.968 20 0 GHADHM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC000174875930 865951419 /nfs/dbraw/zinc/95/14/19/865951419.db2.gz RLULERGMKIMBAC-CQSZACIVSA-N -1 3 396.871 3.675 20 0 GHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444399513 866063431 /nfs/dbraw/zinc/06/34/31/866063431.db2.gz XGQJCAWIJYABEV-LLVKDONJSA-N -1 3 375.266 3.695 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1OCC ZINC000614752090 866131120 /nfs/dbraw/zinc/13/11/20/866131120.db2.gz RTEHZEFMFOILDO-UHFFFAOYSA-N -1 3 379.478 3.910 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456135190 866141145 /nfs/dbraw/zinc/14/11/45/866141145.db2.gz UMUWMYUYMUANCZ-FCEUIQTBSA-N -1 3 379.500 3.943 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC(C)(C)C3CCC3)cs2)c1 ZINC000456143864 866151482 /nfs/dbraw/zinc/15/14/82/866151482.db2.gz JDVLDKBFXRNSDR-UHFFFAOYSA-N -1 3 387.505 3.647 20 0 GHADHM Cn1cc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)nn1 ZINC000741471471 866534400 /nfs/dbraw/zinc/53/44/00/866534400.db2.gz MUCKRMAZUXGNAJ-BJMVGYQFSA-N -1 3 375.866 3.991 20 0 GHADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153491389 866535967 /nfs/dbraw/zinc/53/59/67/866535967.db2.gz LIGCMQQYMPSYBZ-MRXNPFEDSA-N -1 3 388.851 3.688 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000553010903 866620767 /nfs/dbraw/zinc/62/07/67/866620767.db2.gz DMIDVBCNNKMEKF-VQIMIIECSA-N -1 3 386.810 3.581 20 0 GHADHM O=C([N-][C@@H]1CCCN(c2ccccc2Cl)C1=O)C(F)(F)c1ccccc1 ZINC000741606554 866654454 /nfs/dbraw/zinc/65/44/54/866654454.db2.gz RXWWMZNYEOPZKC-OAHLLOKOSA-N -1 3 378.806 3.744 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1 ZINC000523121725 866657802 /nfs/dbraw/zinc/65/78/02/866657802.db2.gz RFPOASCEAPCTGO-UHFFFAOYSA-N -1 3 391.489 3.752 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)cc3N)nc(=O)c2c1C ZINC000005263292 882015286 /nfs/dbraw/zinc/01/52/86/882015286.db2.gz RZDHJAVPWRLNFU-MRVPVSSYSA-N -1 3 377.853 3.755 20 0 GHADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640295762 882018474 /nfs/dbraw/zinc/01/84/74/882018474.db2.gz CYHXVAYJDSYHOG-MFKMUULPSA-N -1 3 387.793 3.531 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)s1 ZINC000523252187 866934731 /nfs/dbraw/zinc/93/47/31/866934731.db2.gz AHDDKJBTHNZKOI-UHFFFAOYSA-N -1 3 388.474 3.940 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)c([O-])c1 ZINC000456643098 866953809 /nfs/dbraw/zinc/95/38/09/866953809.db2.gz ICCYPPXYMSJJEI-AWEZNQCLSA-N -1 3 388.430 3.527 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000553220776 867000114 /nfs/dbraw/zinc/00/01/14/867000114.db2.gz XEAOYMRKFCDRHM-KRWDZBQOSA-N -1 3 387.451 3.933 20 0 GHADHM Oc1[n-]c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2nncc1-2 ZINC000523298286 867012140 /nfs/dbraw/zinc/01/21/40/867012140.db2.gz ZECBDZUCRVADGL-UHFFFAOYSA-N -1 3 395.231 3.708 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3nnc4ccccc4c3[O-])cc2)c1 ZINC000742115932 867056930 /nfs/dbraw/zinc/05/69/30/867056930.db2.gz QEZJZYIYZDJMEF-UHFFFAOYSA-N -1 3 385.423 3.941 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553255418 867061731 /nfs/dbraw/zinc/06/17/31/867061731.db2.gz CSWPCIAFHVCFLZ-UHFFFAOYSA-N -1 3 388.399 3.637 20 0 GHADHM Cc1nc(C(=O)[N-]c2c3nsnc3ccc2Cl)nn1-c1ccc(F)cc1 ZINC000742203930 867132412 /nfs/dbraw/zinc/13/24/12/867132412.db2.gz UNNQEMRSLNBHGN-UHFFFAOYSA-N -1 3 388.815 3.625 20 0 GHADHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000742307099 867189766 /nfs/dbraw/zinc/18/97/66/867189766.db2.gz MWGKNNKIHQMXQS-LLVKDONJSA-N -1 3 389.304 3.869 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C)(C)CC2)cc1Cl ZINC000534635403 867202766 /nfs/dbraw/zinc/20/27/66/867202766.db2.gz VTDBEXACPNWUIA-UHFFFAOYSA-N -1 3 390.908 3.932 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)ccc1Br ZINC000479135642 867205255 /nfs/dbraw/zinc/20/52/55/867205255.db2.gz WSVXFSOZWXCUCW-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Oc1ccccc1Cl ZINC000742324987 867206511 /nfs/dbraw/zinc/20/65/11/867206511.db2.gz BHCXZBFGUPLOBV-SECBINFHSA-N -1 3 395.695 3.788 20 0 GHADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000479120148 867217725 /nfs/dbraw/zinc/21/77/25/867217725.db2.gz LLBJJHNSXQVYJT-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM COc1cccc(Cl)c1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000154060236 867228875 /nfs/dbraw/zinc/22/88/75/867228875.db2.gz XUQAQKKNZVONPW-UHFFFAOYSA-N -1 3 384.657 3.676 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Oc1ccc(Cl)cc1 ZINC000742341401 867240021 /nfs/dbraw/zinc/24/00/21/867240021.db2.gz JIAXHHFSVLIEBG-VIFPVBQESA-N -1 3 395.695 3.788 20 0 GHADHM Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479169177 867272366 /nfs/dbraw/zinc/27/23/66/867272366.db2.gz ZYALBVVRZCTYFM-LBPRGKRZSA-N -1 3 386.233 3.767 20 0 GHADHM Cc1cccc([C@H]2CCN(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)C2)c1 ZINC000640296842 882078171 /nfs/dbraw/zinc/07/81/71/882078171.db2.gz RSAFIYHOUODNES-ZDUSSCGKSA-N -1 3 386.805 3.851 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000479306011 867513134 /nfs/dbraw/zinc/51/31/34/867513134.db2.gz JMASQJUFLOSSEZ-HNNXBMFYSA-N -1 3 394.924 3.842 20 0 GHADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000742970340 867686002 /nfs/dbraw/zinc/68/60/02/867686002.db2.gz ZKJQGGATLMDQFA-HXUWFJFHSA-N -1 3 398.544 3.945 20 0 GHADHM O=c1nc(Cn2cc(Br)cn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000155138936 867766800 /nfs/dbraw/zinc/76/68/00/867766800.db2.gz CBLZLWYINLOVHE-UHFFFAOYSA-N -1 3 387.262 3.659 20 0 GHADHM O=C(c1cc2ccccc2cc1[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC000180747854 867779166 /nfs/dbraw/zinc/77/91/66/867779166.db2.gz PRXUXOLYFJGFRT-UHFFFAOYSA-N -1 3 382.504 3.510 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc4cc(Br)ccc4[nH]3)n[n-]2)o1 ZINC000479461924 867806464 /nfs/dbraw/zinc/80/64/64/867806464.db2.gz ATMNBSQMPRTFAQ-UHFFFAOYSA-N -1 3 386.209 3.869 20 0 GHADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000457237243 867883204 /nfs/dbraw/zinc/88/32/04/867883204.db2.gz CDQCAXBTVVODPP-YJYMSZOUSA-N -1 3 393.484 3.653 20 0 GHADHM CC(C)Cn1cc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000743265498 868040034 /nfs/dbraw/zinc/04/00/34/868040034.db2.gz PPZCPLXKHCDRDW-UHFFFAOYSA-N -1 3 397.447 3.870 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)[N-]c3ncn(Cc4ccccc4)n3)cs2)cc1 ZINC000535067957 868050017 /nfs/dbraw/zinc/05/00/17/868050017.db2.gz YNXOKZDJIYOCQB-UHFFFAOYSA-N -1 3 389.484 3.934 20 0 GHADHM Cc1ccccc1-c1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n(C)n1 ZINC000155747096 868075729 /nfs/dbraw/zinc/07/57/29/868075729.db2.gz YCQYCOAMFQOBEO-UHFFFAOYSA-N -1 3 390.418 3.937 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1 ZINC000479584743 868135064 /nfs/dbraw/zinc/13/50/64/868135064.db2.gz YULVYBCJJPFEMA-UHFFFAOYSA-N -1 3 397.378 3.701 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000479628426 868206375 /nfs/dbraw/zinc/20/63/75/868206375.db2.gz IYZOYZWSURKGLA-NWDGAFQWSA-N -1 3 378.310 3.706 20 0 GHADHM CC(C)O[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648431264 882209271 /nfs/dbraw/zinc/20/92/71/882209271.db2.gz ORXPPQANMBYGEM-ZDUSSCGKSA-N -1 3 375.778 3.626 20 0 GHADHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000524149492 868656738 /nfs/dbraw/zinc/65/67/38/868656738.db2.gz UDNVJAUKOYQFJE-RYUDHWBXSA-N -1 3 398.878 3.900 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@@H]2CCC[C@@H](OC)C2)[nH][n-]1 ZINC000479944913 868767078 /nfs/dbraw/zinc/76/70/78/868767078.db2.gz ZMVWWGISLRLJNN-TZMCWYRMSA-N -1 3 377.872 3.694 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000445709428 868890781 /nfs/dbraw/zinc/89/07/81/868890781.db2.gz LDWCTWRNHRKQHO-OAHLLOKOSA-N -1 3 390.427 3.660 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000445709427 868890955 /nfs/dbraw/zinc/89/09/55/868890955.db2.gz LDWCTWRNHRKQHO-HNNXBMFYSA-N -1 3 390.427 3.660 20 0 GHADHM NC(=O)[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(Br)cc1F ZINC000744541146 868922245 /nfs/dbraw/zinc/92/22/45/868922245.db2.gz DSGMLXSWLNNFDJ-LBPRGKRZSA-N -1 3 397.225 3.514 20 0 GHADHM O=S(=O)([N-][C@H](Cc1cccc(Br)c1)CC1CC1)c1ccco1 ZINC000445734795 868936713 /nfs/dbraw/zinc/93/67/13/868936713.db2.gz RTMCNCDNASLNSS-HNNXBMFYSA-N -1 3 384.295 3.732 20 0 GHADHM CCC1(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CCCC1 ZINC000445782084 868975753 /nfs/dbraw/zinc/97/57/53/868975753.db2.gz MKKKPHJOKALRDT-LBPRGKRZSA-N -1 3 383.901 3.984 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[C@H]1c1ccncc1 ZINC000640298006 882253502 /nfs/dbraw/zinc/25/35/02/882253502.db2.gz JVZFFFKULGMVLM-LBPRGKRZSA-N -1 3 387.793 3.531 20 0 GHADHM Cc1ccc(SCCOC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C ZINC000744722605 869027656 /nfs/dbraw/zinc/02/76/56/869027656.db2.gz BXRYXNKVELOBTP-LJQANCHMSA-N -1 3 399.512 3.949 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(-c3cnco3)cc1)c2=O ZINC000539416221 869121084 /nfs/dbraw/zinc/12/10/84/869121084.db2.gz UEWIVZSIRIIZCC-UHFFFAOYSA-N -1 3 379.347 3.583 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC000462297376 869191300 /nfs/dbraw/zinc/19/13/00/869191300.db2.gz OWZYTMWKJBYPTL-YPMHNXCESA-N -1 3 390.299 3.793 20 0 GHADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000462301935 869202781 /nfs/dbraw/zinc/20/27/81/869202781.db2.gz YVGQDOSCVOTFRB-HNNXBMFYSA-N -1 3 384.404 3.628 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174653391 869257947 /nfs/dbraw/zinc/25/79/47/869257947.db2.gz GRGWYYPUWOISKI-NRFANRHFSA-N -1 3 381.435 3.863 20 0 GHADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2C1 ZINC000857489307 882295543 /nfs/dbraw/zinc/29/55/43/882295543.db2.gz WIYFHMFFAZYJMW-SNVBAGLBSA-N -1 3 386.443 3.966 20 0 GHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462421012 869410898 /nfs/dbraw/zinc/41/08/98/869410898.db2.gz NPBWPXYBDYNJJS-LLVKDONJSA-N -1 3 388.942 3.945 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCCOc2ccc(Cl)cc2)cc1[O-] ZINC000745655898 869703732 /nfs/dbraw/zinc/70/37/32/869703732.db2.gz PIPRHHIRMQLOQK-UHFFFAOYSA-N -1 3 379.796 3.850 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1[O-] ZINC000745654655 869703766 /nfs/dbraw/zinc/70/37/66/869703766.db2.gz VIYPOOLQLIPJJZ-UHFFFAOYSA-N -1 3 386.335 3.722 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1[O-] ZINC000745650969 869719942 /nfs/dbraw/zinc/71/99/42/869719942.db2.gz PXWWDGIGCHNJHV-AWEZNQCLSA-N -1 3 385.416 3.924 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1[O-] ZINC000745653003 869721000 /nfs/dbraw/zinc/72/10/00/869721000.db2.gz PNJICPSVOIBLRY-UHFFFAOYSA-N -1 3 395.415 3.730 20 0 GHADHM CCCCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)OC)c([O-])c2)cc1 ZINC000745651760 869721343 /nfs/dbraw/zinc/72/13/43/869721343.db2.gz BJOCWSAHGCRZMG-UHFFFAOYSA-N -1 3 385.416 3.953 20 0 GHADHM COC[C@H](C)CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000446368743 869755743 /nfs/dbraw/zinc/75/57/43/869755743.db2.gz JGSLCAFCUVECAJ-SECBINFHSA-N -1 3 386.677 3.526 20 0 GHADHM O=C(NCC=Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000539787567 869771081 /nfs/dbraw/zinc/77/10/81/869771081.db2.gz SVUNBSBIQKUMDX-QPJJXVBHSA-N -1 3 383.245 3.734 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000525021039 869900062 /nfs/dbraw/zinc/90/00/62/869900062.db2.gz URHGZLKUZQJKER-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)s1 ZINC000462725139 869948126 /nfs/dbraw/zinc/94/81/26/869948126.db2.gz YBJKXBIDNKQPMO-YNZJMPHRSA-N -1 3 399.921 3.864 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(COC3CCOCC3)c2)c([O-])c1 ZINC000539972015 870136358 /nfs/dbraw/zinc/13/63/58/870136358.db2.gz UZIXLXMMEGZOHF-UHFFFAOYSA-N -1 3 399.443 3.517 20 0 GHADHM CSc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)c(F)c1 ZINC001192278847 870260575 /nfs/dbraw/zinc/26/05/75/870260575.db2.gz YDJWYHMSFPHPHS-UHFFFAOYSA-N -1 3 379.438 3.707 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccc1 ZINC001192284900 870265091 /nfs/dbraw/zinc/26/50/91/870265091.db2.gz BQHBEPZABKOKTH-UHFFFAOYSA-N -1 3 391.386 3.980 20 0 GHADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000190377645 870327683 /nfs/dbraw/zinc/32/76/83/870327683.db2.gz XWORDYYJFRBXOZ-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM CN(C(=O)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1)c1ccccc1 ZINC000133767077 882413373 /nfs/dbraw/zinc/41/33/73/882413373.db2.gz RWWNAAYHUYGXOB-UHFFFAOYSA-N -1 3 378.403 3.738 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000248624231 870548350 /nfs/dbraw/zinc/54/83/50/870548350.db2.gz YQUVHLWGTWMVIJ-IRFCIJBXSA-N -1 3 378.472 3.512 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)cc2n(C)c1=O ZINC000461613262 870590974 /nfs/dbraw/zinc/59/09/74/870590974.db2.gz KKQKANWMYQUGKA-UHFFFAOYSA-N -1 3 397.519 3.908 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(Cc4ccccc4)ns3)c[n-]c12 ZINC000133775067 882424520 /nfs/dbraw/zinc/42/45/20/882424520.db2.gz CUPNJXLSLQKMHL-UHFFFAOYSA-N -1 3 394.431 3.670 20 0 GHADHM O=C(c1cc([O-])cc(F)c1F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001192663663 870612693 /nfs/dbraw/zinc/61/26/93/870612693.db2.gz FJMURWLNNVETPV-UHFFFAOYSA-N -1 3 395.365 3.818 20 0 GHADHM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001192664502 870614490 /nfs/dbraw/zinc/61/44/90/870614490.db2.gz NGSPCGPVURZBIN-OAQYLSRUSA-N -1 3 390.405 3.690 20 0 GHADHM CC(C)(C)c1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000746401382 870615429 /nfs/dbraw/zinc/61/54/29/870615429.db2.gz PQUGLKDMUWTSCZ-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM CC(C)(C)c1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000746401382 870615436 /nfs/dbraw/zinc/61/54/36/870615436.db2.gz PQUGLKDMUWTSCZ-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC001192744552 870626206 /nfs/dbraw/zinc/62/62/06/870626206.db2.gz TWASGGNNGBJUBL-GFCCVEGCSA-N -1 3 395.406 3.676 20 0 GHADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000793839506 882435225 /nfs/dbraw/zinc/43/52/25/882435225.db2.gz SRYBWPUVHTYHLE-INIZCTEOSA-N -1 3 397.805 3.557 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)c2cnccc2Cl)cc1Br ZINC001192860710 870739394 /nfs/dbraw/zinc/73/93/94/870739394.db2.gz FSHYTLGDSWDENI-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2c([O-])cccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249296763 870805448 /nfs/dbraw/zinc/80/54/48/870805448.db2.gz MRKRKEVASPIOJI-KPZWWZAWSA-N -1 3 380.822 3.747 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2nc(-c3cccc(OC)c3)[nH]c2C)c([O-])c1 ZINC000538925971 870938186 /nfs/dbraw/zinc/93/81/86/870938186.db2.gz CNGCHKDGAIQQRN-UHFFFAOYSA-N -1 3 395.415 3.528 20 0 GHADHM COc1ccc(COc2cccc(F)c2)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000775581061 870957601 /nfs/dbraw/zinc/95/76/01/870957601.db2.gz YBSCZYBQZJYUAD-IBGZPJMESA-N -1 3 390.411 3.993 20 0 GHADHM COc1ccc(COc2cccc(F)c2)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775581061 870957611 /nfs/dbraw/zinc/95/76/11/870957611.db2.gz YBSCZYBQZJYUAD-IBGZPJMESA-N -1 3 390.411 3.993 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(COc2ccccc2)c1 ZINC000920940270 882462786 /nfs/dbraw/zinc/46/27/86/882462786.db2.gz WHFAHLYFRFLCDG-UHFFFAOYSA-N -1 3 387.395 3.793 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)o1 ZINC001168941722 871027821 /nfs/dbraw/zinc/02/78/21/871027821.db2.gz SBXRQDIMZIHHCN-UHFFFAOYSA-N -1 3 394.258 3.744 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000525694482 871250847 /nfs/dbraw/zinc/25/08/47/871250847.db2.gz LPUUHLWJXJOTOI-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@H]1CCCCO1 ZINC000234305404 871282457 /nfs/dbraw/zinc/28/24/57/871282457.db2.gz GWRJCTJTVXBQEB-LLVKDONJSA-N -1 3 393.119 3.918 20 0 GHADHM O=C(Nc1ccccc1CN1CCCC1=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747666 871287876 /nfs/dbraw/zinc/28/78/76/871287876.db2.gz MUEDDMXGQFUOIV-UHFFFAOYSA-N -1 3 378.350 3.786 20 0 GHADHM COC(=O)c1nc2cc(NC(=O)c3ccc([O-])cc3C(F)(F)F)ccc2o1 ZINC001193747655 871289015 /nfs/dbraw/zinc/28/90/15/871289015.db2.gz MFBSINPREZAVOY-UHFFFAOYSA-N -1 3 380.278 3.591 20 0 GHADHM COc1cc2c(cc1NC(=O)c1ccc([O-])cc1C(F)(F)F)N(C(C)=O)CC2 ZINC001193748888 871290889 /nfs/dbraw/zinc/29/08/89/871290889.db2.gz WBZKWMASMIHPFF-UHFFFAOYSA-N -1 3 394.349 3.581 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC001193797431 871311213 /nfs/dbraw/zinc/31/12/13/871311213.db2.gz ULSNIAIWUHHNGD-UHFFFAOYSA-N -1 3 379.338 3.675 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cnncc2Br)c2ccccc12 ZINC001193833580 871333760 /nfs/dbraw/zinc/33/37/60/871333760.db2.gz FIEWPTWRXBEUAU-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccnn1Cc1cccc(C(F)(F)F)c1 ZINC001193923153 871394569 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3 389.455 3.656 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H](CCF)C1 ZINC000618693039 871859259 /nfs/dbraw/zinc/85/92/59/871859259.db2.gz ZYKVVSOPDHIEGI-NSHDSACASA-N -1 3 381.245 3.502 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(Cl)c4ccccc34)nc21 ZINC000766830896 871873454 /nfs/dbraw/zinc/87/34/54/871873454.db2.gz TXMZUIXJNGZZOA-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(CC1CC1)CC1CCC1 ZINC000526038987 871947191 /nfs/dbraw/zinc/94/71/91/871947191.db2.gz XDEZVSRDWDHXAO-UHFFFAOYSA-N -1 3 389.293 3.943 20 0 GHADHM O=C(Nc1ncc2ccccc2c1Br)c1cnc(C(F)(F)F)[n-]1 ZINC001194773444 871954258 /nfs/dbraw/zinc/95/42/58/871954258.db2.gz RATZRKLDPNIARX-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C1CCC(S(=O)(=O)[N-]c2ccc(F)cc2OCc2ccccc2)CC1 ZINC001194809581 871963350 /nfs/dbraw/zinc/96/33/50/871963350.db2.gz QSUIIFFDISPUKD-UHFFFAOYSA-N -1 3 377.437 3.658 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1[O-] ZINC000794035911 882564528 /nfs/dbraw/zinc/56/45/28/882564528.db2.gz YJTNNODBUDBGGA-GOSISDBHSA-N -1 3 396.487 3.733 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N=c3[nH][n-]cc3Br)oc21 ZINC000552069950 871974263 /nfs/dbraw/zinc/97/42/63/871974263.db2.gz TUFIGFHGMHEDDS-UHFFFAOYSA-N -1 3 399.042 3.664 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnn(C)c3)cc2)c(C)c1C ZINC001194836035 871980432 /nfs/dbraw/zinc/98/04/32/871980432.db2.gz RRSXXOOVLXUWBF-UHFFFAOYSA-N -1 3 385.489 3.822 20 0 GHADHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)cc1)c1ccccc1 ZINC001194851259 871985530 /nfs/dbraw/zinc/98/55/30/871985530.db2.gz XOJUWUABPZTSHK-SFHVURJKSA-N -1 3 397.443 3.575 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1C ZINC001194863101 871994782 /nfs/dbraw/zinc/99/47/82/871994782.db2.gz CIFOMESCHQXPNQ-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2c(Cl)cccc2I)n1 ZINC000447638248 872054833 /nfs/dbraw/zinc/05/48/33/872054833.db2.gz WUTMJQJRAQFKGB-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)c(Br)cc1F ZINC001194979104 872081341 /nfs/dbraw/zinc/08/13/41/872081341.db2.gz XYDJUJDIXWLDBD-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1F ZINC001194997021 872095491 /nfs/dbraw/zinc/09/54/91/872095491.db2.gz UEGNNVOOMYGIPD-LJQANCHMSA-N -1 3 390.480 3.859 20 0 GHADHM COC(=O)c1cc(Br)cc(NC(=O)Oc2ccc(F)cc2)c1[O-] ZINC001195035905 872120347 /nfs/dbraw/zinc/12/03/47/872120347.db2.gz PODXQVJWLGRNFU-UHFFFAOYSA-N -1 3 384.157 3.691 20 0 GHADHM O=S(=O)([N-][C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1ccco1 ZINC001195042969 872123542 /nfs/dbraw/zinc/12/35/42/872123542.db2.gz RSXNHUFVODEDPZ-CYBMUJFWSA-N -1 3 398.278 3.767 20 0 GHADHM COC(=O)Cc1ccccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000552148157 872137627 /nfs/dbraw/zinc/13/76/27/872137627.db2.gz RLMFLJMHYVSOMM-UHFFFAOYSA-N -1 3 375.424 3.951 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(CCc1cccc(F)c1)C1CCCC1 ZINC000153113790 882586173 /nfs/dbraw/zinc/58/61/73/882586173.db2.gz XONBHFBQTUQNPB-UHFFFAOYSA-N -1 3 379.435 3.690 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)n[n-]1 ZINC000463629548 872219699 /nfs/dbraw/zinc/21/96/99/872219699.db2.gz OHOMXSDINUPDLD-UHFFFAOYSA-N -1 3 396.407 3.635 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccc(Cl)cc1 ZINC001195168563 872229263 /nfs/dbraw/zinc/22/92/63/872229263.db2.gz GJFRZOLWEIBHMO-QGZVFWFLSA-N -1 3 381.881 3.656 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000526952236 872324233 /nfs/dbraw/zinc/32/42/33/872324233.db2.gz MFGAKUHWKIXMEY-AAEUAGOBSA-N -1 3 377.282 3.989 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526960329 872364250 /nfs/dbraw/zinc/36/42/50/872364250.db2.gz WXTSRQGKZKCIIL-ZDUSSCGKSA-N -1 3 390.802 3.691 20 0 GHADHM CC(=O)c1cc(Br)ccc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195410310 872370005 /nfs/dbraw/zinc/37/00/05/872370005.db2.gz KXHKASYMTGXPPG-UHFFFAOYSA-N -1 3 377.263 3.779 20 0 GHADHM COc1cc(C(=O)Nc2ncccc2[O-])ccc1OCCOCc1ccccc1 ZINC001195374718 872376289 /nfs/dbraw/zinc/37/62/89/872376289.db2.gz GAJIOUABJMXTNA-UHFFFAOYSA-N -1 3 394.427 3.644 20 0 GHADHM O=S(=O)([N-]C1CC(Cl)(Cl)C1)c1cc(Cl)ccc1OC(F)F ZINC001195448418 872395662 /nfs/dbraw/zinc/39/56/62/872395662.db2.gz QJKKWFHDPYEBMQ-UHFFFAOYSA-N -1 3 380.627 3.556 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ccc(Br)cc1OC(F)(F)F ZINC001195484418 872434266 /nfs/dbraw/zinc/43/42/66/872434266.db2.gz MNPJDNGUDIEILH-UHFFFAOYSA-N -1 3 387.177 3.791 20 0 GHADHM CCOC(=O)N=C([S-])Nc1ccc(Br)cc1OC(F)(F)F ZINC001195484418 872434276 /nfs/dbraw/zinc/43/42/76/872434276.db2.gz MNPJDNGUDIEILH-UHFFFAOYSA-N -1 3 387.177 3.791 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ccc(Br)cc1OC(F)(F)F ZINC001195484418 872434284 /nfs/dbraw/zinc/43/42/84/872434284.db2.gz MNPJDNGUDIEILH-UHFFFAOYSA-N -1 3 387.177 3.791 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350213 872558151 /nfs/dbraw/zinc/55/81/51/872558151.db2.gz NICMMCDTMVUXHO-QZTJIDSGSA-N -1 3 391.427 3.518 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001272350213 872558167 /nfs/dbraw/zinc/55/81/67/872558167.db2.gz NICMMCDTMVUXHO-QZTJIDSGSA-N -1 3 391.427 3.518 20 0 GHADHM O=C(NC[C@H](NCc1ccccc1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000552401819 872619891 /nfs/dbraw/zinc/61/98/91/872619891.db2.gz CDUWUQFCUBZTTN-IBGZPJMESA-N -1 3 388.389 3.996 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)cc3ccccc32)[n-]1 ZINC000619449068 872638310 /nfs/dbraw/zinc/63/83/10/872638310.db2.gz QGOKXZQKDWDPER-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(Br)cc3ccccc32)c[n-]1 ZINC000619449068 872638315 /nfs/dbraw/zinc/63/83/15/872638315.db2.gz QGOKXZQKDWDPER-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000175819072 882635717 /nfs/dbraw/zinc/63/57/17/882635717.db2.gz WMTSUGYEYZKZHJ-AWEZNQCLSA-N -1 3 377.444 3.886 20 0 GHADHM CC[C@@H]1c2ccc(OC)c(OC)c2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001195787669 872661882 /nfs/dbraw/zinc/66/18/82/872661882.db2.gz BEQQXSQJPFUZLJ-QGZVFWFLSA-N -1 3 395.459 3.969 20 0 GHADHM O=S(=O)(Nc1ccc(Br)c(Cl)c1F)c1ccc([O-])cc1 ZINC001195794679 872667105 /nfs/dbraw/zinc/66/71/05/872667105.db2.gz GAHJJOACXCJHBI-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM O=S(=O)(Nc1ccc(C(F)(F)F)cc1Br)c1ccc([O-])cc1 ZINC001195794970 872667337 /nfs/dbraw/zinc/66/73/37/872667337.db2.gz RBSRUKMFMABEHQ-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM COC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc([O-])cc3)cc2)cc1 ZINC001195794734 872667444 /nfs/dbraw/zinc/66/74/44/872667444.db2.gz HZRSDMYJAHIPGN-UHFFFAOYSA-N -1 3 399.424 3.772 20 0 GHADHM COC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cc2)cc1 ZINC001195794734 872667446 /nfs/dbraw/zinc/66/74/46/872667446.db2.gz HZRSDMYJAHIPGN-UHFFFAOYSA-N -1 3 399.424 3.772 20 0 GHADHM C[C@H](CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C)C(C)(C)C ZINC001195947284 872789002 /nfs/dbraw/zinc/78/90/02/872789002.db2.gz RMQSCQJKULLTBE-MCIONIFRSA-N -1 3 394.478 3.522 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000070731329 872800202 /nfs/dbraw/zinc/80/02/02/872800202.db2.gz RBJDPHZTNZGJLU-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000070731329 872800210 /nfs/dbraw/zinc/80/02/10/872800210.db2.gz RBJDPHZTNZGJLU-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000742220908 872839543 /nfs/dbraw/zinc/83/95/43/872839543.db2.gz CXSPYUXOUYEDJQ-NTMALXAHSA-N -1 3 399.491 3.776 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000527281155 872891180 /nfs/dbraw/zinc/89/11/80/872891180.db2.gz ZIHQDXODGQCAJV-HZMBPMFUSA-N -1 3 380.370 3.962 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1Cl)c1cccc(Br)n1 ZINC001196323530 873031569 /nfs/dbraw/zinc/03/15/69/873031569.db2.gz GVIWVUYSUZHSEH-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM C[C@H]1CCc2sc([N-]C(=O)c3snc(Cl)c3Cl)c(C(N)=O)c2C1 ZINC001196333254 873039803 /nfs/dbraw/zinc/03/98/03/873039803.db2.gz CEDJKFKGPWIFBB-YFKPBYRVSA-N -1 3 390.317 3.987 20 0 GHADHM CCCCc1nc(NC(=O)c2occc2Br)c(C(=O)OCC)[n-]1 ZINC000191964038 882686048 /nfs/dbraw/zinc/68/60/48/882686048.db2.gz YMWYAZBNJZURSC-UHFFFAOYSA-N -1 3 384.230 3.537 20 0 GHADHM CC(C)(C)C1CCN(C(=O)c2cc([O-])cc(I)c2)CC1 ZINC001196398184 873075045 /nfs/dbraw/zinc/07/50/45/873075045.db2.gz ASXUUOWEOMKJOB-UHFFFAOYSA-N -1 3 387.261 3.895 20 0 GHADHM O=C(Nc1ccc2ccncc2c1)c1cc([O-])cc(I)c1 ZINC001196417192 873101505 /nfs/dbraw/zinc/10/15/05/873101505.db2.gz HTXKOMFGKRVREB-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3cccs3)n2Cc2ccco2)n1 ZINC000768410745 873276218 /nfs/dbraw/zinc/27/62/18/873276218.db2.gz CEHFQFURHQQPCG-UHFFFAOYSA-N -1 3 385.474 3.744 20 0 GHADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000775748361 873421042 /nfs/dbraw/zinc/42/10/42/873421042.db2.gz WIXHHJZGIPBQRS-XPTSAGLGSA-N -1 3 393.267 3.582 20 0 GHADHM COc1ccc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)c(OC(F)F)c1 ZINC000448490295 873473325 /nfs/dbraw/zinc/47/33/25/873473325.db2.gz NLICWJDMNLGKBT-UHFFFAOYSA-N -1 3 378.306 3.765 20 0 GHADHM Cc1ncc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000541457090 873641471 /nfs/dbraw/zinc/64/14/71/873641471.db2.gz LWGJCHTUNAGFOR-UHFFFAOYSA-N -1 3 380.473 3.584 20 0 GHADHM O=c1nc(CN2CCc3ccc(F)cc3C2)[n-]c2scc(-c3ccco3)c21 ZINC000134123171 882746270 /nfs/dbraw/zinc/74/62/70/882746270.db2.gz SZUBAUDRTVAJBF-UHFFFAOYSA-N -1 3 381.432 3.942 20 0 GHADHM Cc1ccc2cc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)ccc2n1 ZINC000509057033 873772571 /nfs/dbraw/zinc/77/25/71/873772571.db2.gz MGTYVVCOBDBGAW-UHFFFAOYSA-N -1 3 381.233 3.628 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2c(Cl)nc(C)nc2Cl)c1F ZINC001197423375 873803868 /nfs/dbraw/zinc/80/38/68/873803868.db2.gz SXZGIUDZZOLNIQ-UHFFFAOYSA-N -1 3 378.162 3.605 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000134168636 882765855 /nfs/dbraw/zinc/76/58/55/882765855.db2.gz QPMADHVZRHRPBO-KRWDZBQOSA-N -1 3 398.356 3.562 20 0 GHADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc3n(n2)CCO3)cc1 ZINC000464444118 873887475 /nfs/dbraw/zinc/88/74/75/873887475.db2.gz SPWUDHYMVZVGEJ-UHFFFAOYSA-N -1 3 387.395 3.813 20 0 GHADHM CCc1ncc(Br)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197567905 873906856 /nfs/dbraw/zinc/90/68/56/873906856.db2.gz UFZSARYIOZPHJP-UHFFFAOYSA-N -1 3 391.237 3.627 20 0 GHADHM CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134179401 882772639 /nfs/dbraw/zinc/77/26/39/882772639.db2.gz FOYOITWUKJTSFO-UHFFFAOYSA-N -1 3 395.381 3.581 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1c(F)cc(Br)cc1F ZINC001197601096 873935454 /nfs/dbraw/zinc/93/54/54/873935454.db2.gz WBTNYSKSPFDTPV-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=C(Nc1nc(Cl)nc2[nH]cnc21)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197707662 873992249 /nfs/dbraw/zinc/99/22/49/873992249.db2.gz NRKAFFIAWYIETA-UHFFFAOYSA-N -1 3 395.806 3.543 20 0 GHADHM COc1nc(Cl)ncc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708562 873994924 /nfs/dbraw/zinc/99/49/24/873994924.db2.gz ZXKHBJIFFHWCKT-UHFFFAOYSA-N -1 3 385.807 3.676 20 0 GHADHM Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001197769578 874035475 /nfs/dbraw/zinc/03/54/75/874035475.db2.gz RCEQRAQZAWHTNW-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001197769578 874035492 /nfs/dbraw/zinc/03/54/92/874035492.db2.gz RCEQRAQZAWHTNW-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000448851924 874081153 /nfs/dbraw/zinc/08/11/53/874081153.db2.gz NGUXYHANLILVIB-UHFFFAOYSA-N -1 3 390.842 3.992 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3cccc(C(F)(F)F)c3)c12 ZINC001198059645 874182826 /nfs/dbraw/zinc/18/28/26/874182826.db2.gz ODPFAIFPRYMUDE-UHFFFAOYSA-N -1 3 380.351 3.869 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCCCC2)cc1)c1ccc2nccnc2c1 ZINC001198148714 874247507 /nfs/dbraw/zinc/24/75/07/874247507.db2.gz SANYARHWTCIPFQ-UHFFFAOYSA-N -1 3 382.489 3.811 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nccn2c(Br)cnc12 ZINC000770011236 874380434 /nfs/dbraw/zinc/38/04/34/874380434.db2.gz AYDAGVSBLWNDSB-UHFFFAOYSA-N -1 3 398.220 3.708 20 0 GHADHM Cc1ccccc1C1([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)COC1 ZINC001198491760 874439049 /nfs/dbraw/zinc/43/90/49/874439049.db2.gz VNHZKOBKCLZQHS-UHFFFAOYSA-N -1 3 395.480 3.991 20 0 GHADHM COc1ccc(C[C@H](C)NC(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC000528456859 874585652 /nfs/dbraw/zinc/58/56/52/874585652.db2.gz HHBBRDRSYXZMQV-NSHDSACASA-N -1 3 394.265 3.533 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3c([O-])cccc3O)cc2C1 ZINC000770407994 874652873 /nfs/dbraw/zinc/65/28/73/874652873.db2.gz CETAIPGHUUJAIA-UHFFFAOYSA-N -1 3 384.432 3.643 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000775908781 874675417 /nfs/dbraw/zinc/67/54/17/874675417.db2.gz BZXGHQTXBAWEIM-UHFFFAOYSA-N -1 3 397.744 3.594 20 0 GHADHM COc1ccc(NCc2ccc3c(c2)CCC(C)(C)O3)cc1[N-]S(C)(=O)=O ZINC000770514294 874715755 /nfs/dbraw/zinc/71/57/55/874715755.db2.gz PNIHCWYPLPDHOY-UHFFFAOYSA-N -1 3 390.505 3.782 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)CCOCc3ccccc3)cc2)cc(=O)[n-]1 ZINC000464908285 874757866 /nfs/dbraw/zinc/75/78/66/874757866.db2.gz JTKMWYGQDVLTJW-UHFFFAOYSA-N -1 3 392.459 3.838 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1cnoc1C(F)(F)F ZINC001199049776 874776574 /nfs/dbraw/zinc/77/65/74/874776574.db2.gz PVPRUURDXSBQLW-UHFFFAOYSA-N -1 3 381.335 3.773 20 0 GHADHM CC(C)c1c(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cnn1-c1ccccc1 ZINC000192265105 882866807 /nfs/dbraw/zinc/86/68/07/882866807.db2.gz IMJJXLMAFQWOBE-UHFFFAOYSA-N -1 3 389.415 3.523 20 0 GHADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3nc(CN(C)C)cs3)on2)c1 ZINC001129505560 882872906 /nfs/dbraw/zinc/87/29/06/882872906.db2.gz DZAUWBJHXXQTJO-UHFFFAOYSA-N -1 3 392.868 3.774 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000528822573 875124215 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GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613740 883038475 /nfs/dbraw/zinc/03/84/75/883038475.db2.gz USDFQONMYAZAFK-LBPRGKRZSA-N -1 3 377.379 3.565 20 0 GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613740 883038492 /nfs/dbraw/zinc/03/84/92/883038492.db2.gz USDFQONMYAZAFK-LBPRGKRZSA-N -1 3 377.379 3.565 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121128752 876560905 /nfs/dbraw/zinc/56/09/05/876560905.db2.gz BWMIMHSJWSYMHP-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121128752 876560909 /nfs/dbraw/zinc/56/09/09/876560909.db2.gz BWMIMHSJWSYMHP-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CCCN3c3ccccc3)c2)n1 ZINC000786424562 876685535 /nfs/dbraw/zinc/68/55/35/876685535.db2.gz LWORIAXHRFPGAK-LJQANCHMSA-N -1 3 375.428 3.732 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000174037581 876791376 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Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000788205300 877912962 /nfs/dbraw/zinc/91/29/62/877912962.db2.gz QAOKQJWBKZJTCW-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000788302959 877981359 /nfs/dbraw/zinc/98/13/59/877981359.db2.gz BFRZUNPFCDBKHP-ZDUSSCGKSA-N -1 3 378.457 3.669 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000788305961 877982859 /nfs/dbraw/zinc/98/28/59/877982859.db2.gz QKAXQAOHVBIVJE-UHFFFAOYSA-N -1 3 376.441 3.521 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCCC1 ZINC000530538139 877987280 /nfs/dbraw/zinc/98/72/80/877987280.db2.gz YTWJIPDDNLMCOK-UHFFFAOYSA-N -1 3 391.892 3.553 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000788271766 877987546 /nfs/dbraw/zinc/98/75/46/877987546.db2.gz XHGFGPPNKGRFPO-UHFFFAOYSA-N -1 3 378.457 3.669 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCCCCC2)ccc1F ZINC001127575140 878179355 /nfs/dbraw/zinc/17/93/55/878179355.db2.gz FWBFVQJBDRQIHY-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2ccc(OC(F)(F)F)cc2Cl)c(=O)[n-]1 ZINC000774573453 912319607 /nfs/dbraw/zinc/31/96/07/912319607.db2.gz WESGVYCQEORIEH-UHFFFAOYSA-N -1 3 390.745 3.637 20 0 GHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000451608545 878207001 /nfs/dbraw/zinc/20/70/01/878207001.db2.gz NOPANCDBAVHTRG-UHFFFAOYSA-N -1 3 376.650 3.816 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537742430 878229605 /nfs/dbraw/zinc/22/96/05/878229605.db2.gz JPIYOTLSABEMLB-MGPLVRAMSA-N -1 3 375.824 3.673 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000176389655 878242071 /nfs/dbraw/zinc/24/20/71/878242071.db2.gz XIOOQZHOXNXVHD-QGZVFWFLSA-N -1 3 398.356 3.833 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000467254097 878343094 /nfs/dbraw/zinc/34/30/94/878343094.db2.gz NWYPXEAUQKDQFF-UGSOOPFHSA-N -1 3 399.248 3.670 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000176696554 878359564 /nfs/dbraw/zinc/35/95/64/878359564.db2.gz SLQZNMBFDNJCIB-QGZVFWFLSA-N -1 3 375.425 3.663 20 0 GHADHM CCc1cccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1[O-] ZINC000530716568 878373176 /nfs/dbraw/zinc/37/31/76/878373176.db2.gz KUXFXGPGBCVWCW-UHFFFAOYSA-N -1 3 386.879 3.596 20 0 GHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(N(C)C)c3)c2C1 ZINC000493105013 878411812 /nfs/dbraw/zinc/41/18/12/878411812.db2.gz KTIHOSIZPQSREY-INIZCTEOSA-N -1 3 387.549 3.914 20 0 GHADHM O=c1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000852598777 878453345 /nfs/dbraw/zinc/45/33/45/878453345.db2.gz YUMIHLSUDMTCSC-SCLBCKFNSA-N -1 3 377.868 3.933 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3CCC(=O)c4cccn43)nc(=O)c2c1C ZINC000789240910 878751048 /nfs/dbraw/zinc/75/10/48/878751048.db2.gz UOEMLRSXGYQMPN-MFKMUULPSA-N -1 3 385.445 3.637 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853034636 878762548 /nfs/dbraw/zinc/76/25/48/878762548.db2.gz DEKVHVXGPGSACC-CQSZACIVSA-N -1 3 380.275 3.810 20 0 GHADHM O=C(c1ccc(Cl)cc1NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCCOC1 ZINC000853066435 878785664 /nfs/dbraw/zinc/78/56/64/878785664.db2.gz RRZXDTSYWMARKG-CYBMUJFWSA-N -1 3 387.867 3.934 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178022237 878955628 /nfs/dbraw/zinc/95/56/28/878955628.db2.gz LDQOZBFGVQNXGQ-UHFFFAOYSA-N -1 3 389.171 3.807 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000616826405 879132905 /nfs/dbraw/zinc/13/29/05/879132905.db2.gz NCCNYFOMZNBIMS-ZQIUZPCESA-N -1 3 394.500 3.981 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccnc1SCc1ccc(F)cc1 ZINC000616826043 879133175 /nfs/dbraw/zinc/13/31/75/879133175.db2.gz GVPLDVSECFJAMT-QGZVFWFLSA-N -1 3 398.463 3.762 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000616906894 879182336 /nfs/dbraw/zinc/18/23/36/879182336.db2.gz BXBUDRPIHCXQCY-JOCHJYFZSA-N -1 3 390.483 3.942 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-n2cc(Br)cn2)cc1 ZINC000531134344 879193456 /nfs/dbraw/zinc/19/34/56/879193456.db2.gz KGCHDHHDTJYCJF-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000538299675 879211044 /nfs/dbraw/zinc/21/10/44/879211044.db2.gz MJABWTIQOFAFGO-UHFFFAOYSA-N -1 3 393.468 3.973 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000790133130 879475420 /nfs/dbraw/zinc/47/54/20/879475420.db2.gz PMDQYDKPLHNGMX-UHFFFAOYSA-N -1 3 387.390 3.545 20 0 GHADHM CCc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000531357384 879694102 /nfs/dbraw/zinc/69/41/02/879694102.db2.gz AKOCEOPMWITQSX-UHFFFAOYSA-N -1 3 381.259 3.972 20 0 GHADHM C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(F)(F)F ZINC000666000050 879833717 /nfs/dbraw/zinc/83/37/17/879833717.db2.gz ONUJWKOSFZXMIZ-MRVPVSSYSA-N -1 3 391.187 3.609 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)c1 ZINC000854499772 879854619 /nfs/dbraw/zinc/85/46/19/879854619.db2.gz KUMROZYUGGYWTQ-HNNXBMFYSA-N -1 3 392.521 3.778 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000452684132 879875986 /nfs/dbraw/zinc/87/59/86/879875986.db2.gz NUHISWLOMQNOFE-UHFFFAOYSA-N -1 3 394.349 3.668 20 0 GHADHM Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)[N-]Oc1ccccc1 ZINC000854538515 879888456 /nfs/dbraw/zinc/88/84/56/879888456.db2.gz ZGXZMNYSTGGTOF-UHFFFAOYSA-N -1 3 389.572 3.855 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)s1 ZINC000854581260 879923437 /nfs/dbraw/zinc/92/34/37/879923437.db2.gz DNHCHZQWDJOKQV-UHFFFAOYSA-N -1 3 388.449 3.954 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000452761653 879997850 /nfs/dbraw/zinc/99/78/50/879997850.db2.gz XLRLJWJPLIFQAJ-LBPRGKRZSA-N -1 3 397.313 3.877 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000452761652 879998394 /nfs/dbraw/zinc/99/83/94/879998394.db2.gz XLRLJWJPLIFQAJ-GFCCVEGCSA-N -1 3 397.313 3.877 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791346007 880344017 /nfs/dbraw/zinc/34/40/17/880344017.db2.gz YNYQDKYYWDTBKX-GFCCVEGCSA-N -1 3 376.478 3.594 20 0 GHADHM CC(C)(NC(=O)c1cc2sccc2c([O-])c1)c1cn(-c2ccccc2)nn1 ZINC000791383381 880361965 /nfs/dbraw/zinc/36/19/65/880361965.db2.gz BAEOHIXEMHUONX-UHFFFAOYSA-N -1 3 378.457 3.853 20 0 GHADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1N1C(=O)CCC1=O ZINC000791357854 880367288 /nfs/dbraw/zinc/36/72/88/880367288.db2.gz CDFGRGBTPAMLKZ-UHFFFAOYSA-N -1 3 380.425 3.821 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000855524353 880558946 /nfs/dbraw/zinc/55/89/46/880558946.db2.gz GLQPOWXFXRTFSA-UHFFFAOYSA-N -1 3 396.274 3.824 20 0 GHADHM C[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000747026585 880578256 /nfs/dbraw/zinc/57/82/56/880578256.db2.gz VPSVBUUGYLDFKM-VIFPVBQESA-N -1 3 386.256 3.658 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)[C@@H](O)CCCC4)c[n-]c12 ZINC000855549173 880582009 /nfs/dbraw/zinc/58/20/09/880582009.db2.gz YUKVXFTULCOJCQ-IBGZPJMESA-N -1 3 380.419 3.988 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186202776 880819305 /nfs/dbraw/zinc/81/93/05/880819305.db2.gz ASDCBMYCZDECSK-UHFFFAOYSA-N -1 3 377.847 3.925 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286193223 912619112 /nfs/dbraw/zinc/61/91/12/912619112.db2.gz VZZGYFAGFCFAKJ-OAHLLOKOSA-N -1 3 378.350 3.951 20 0 GHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(C(=O)NC2CC2)c1 ZINC000792147724 880941257 /nfs/dbraw/zinc/94/12/57/880941257.db2.gz NBPCLVNLQBYIEY-UHFFFAOYSA-N -1 3 376.412 3.699 20 0 GHADHM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000792207433 880987247 /nfs/dbraw/zinc/98/72/47/880987247.db2.gz XOVRFSIKODGSPE-LJQANCHMSA-N -1 3 375.346 3.725 20 0 GHADHM CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1cc3sccc3c([O-])c1)C2 ZINC000856183235 881023607 /nfs/dbraw/zinc/02/36/07/881023607.db2.gz AONUNDIRTNURAY-UHFFFAOYSA-N -1 3 388.489 3.736 20 0 GHADHM Cc1c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)sc2cccc(F)c12 ZINC000119831707 881127562 /nfs/dbraw/zinc/12/75/62/881127562.db2.gz YWLVPINORRMHGQ-UHFFFAOYSA-N -1 3 398.459 3.653 20 0 GHADHM Cc1c2ccccc2oc(=O)c1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792482316 881139033 /nfs/dbraw/zinc/13/90/33/881139033.db2.gz AXYIYGRYAOJRIZ-UHFFFAOYSA-N -1 3 386.367 3.885 20 0 GHADHM COc1ccc(C=CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1OC ZINC000792482670 881139071 /nfs/dbraw/zinc/13/90/71/881139071.db2.gz PGBURKWUECAVNH-CSKARUKUSA-N -1 3 390.399 3.887 20 0 GHADHM COc1ccc(C=CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC ZINC000792482670 881139074 /nfs/dbraw/zinc/13/90/74/881139074.db2.gz PGBURKWUECAVNH-CSKARUKUSA-N -1 3 390.399 3.887 20 0 GHADHM CON(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856339644 881145604 /nfs/dbraw/zinc/14/56/04/881145604.db2.gz ZGOWKFCHAHRASH-JTQLQIEISA-N -1 3 381.354 3.843 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)cc1 ZINC000132563626 881287265 /nfs/dbraw/zinc/28/72/65/881287265.db2.gz ZPROMZJIPOXBCR-SFHVURJKSA-N -1 3 388.489 3.694 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640292942 881298772 /nfs/dbraw/zinc/29/87/72/881298772.db2.gz QKQBKXKZPCPOIS-WPRPVWTQSA-N -1 3 376.766 3.559 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc(-c2cccc(Cl)c2F)no1 ZINC001129759841 883160883 /nfs/dbraw/zinc/16/08/83/883160883.db2.gz ULXZRHKYEMNHGW-UHFFFAOYSA-N -1 3 388.786 3.761 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193706210 883440292 /nfs/dbraw/zinc/44/02/92/883440292.db2.gz GUZNKTQVCAFIHP-UHFFFAOYSA-N -1 3 398.271 3.663 20 0 GHADHM O=S(=O)(Cc1ccccc1)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000135585713 883457597 /nfs/dbraw/zinc/45/75/97/883457597.db2.gz ZGZNNNPELWKRJD-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2nn(C(C)(C)C)cc2Br)s1 ZINC000666971751 883515818 /nfs/dbraw/zinc/51/58/18/883515818.db2.gz FWDUZKWUKDLXSI-UHFFFAOYSA-N -1 3 386.319 3.802 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000135707071 883517118 /nfs/dbraw/zinc/51/71/18/883517118.db2.gz MZMUSSFORCHEDU-UHFFFAOYSA-N -1 3 395.484 3.822 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)nc1)c1cnc(Cl)c(F)c1 ZINC000804978250 883525896 /nfs/dbraw/zinc/52/58/96/883525896.db2.gz NKEQBNKSCMFBER-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F ZINC000805121431 883602812 /nfs/dbraw/zinc/60/28/12/883602812.db2.gz CYSWAQBIFNUAMN-GFCCVEGCSA-N -1 3 397.777 3.510 20 0 GHADHM O=C(c1sccc1-c1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000078961168 883620934 /nfs/dbraw/zinc/62/09/34/883620934.db2.gz UUTSIYVXNWIXSU-UHFFFAOYSA-N -1 3 392.480 3.719 20 0 GHADHM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCN1Cc1ccccc1 ZINC001183694907 912735799 /nfs/dbraw/zinc/73/57/99/912735799.db2.gz SIXPXUJQHQRJEE-OAHLLOKOSA-N -1 3 395.890 3.940 20 0 GHADHM C[C@@H](c1cccnc1)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000542502727 883690855 /nfs/dbraw/zinc/69/08/55/883690855.db2.gz QGKLGHUNGKNVBP-NSHDSACASA-N -1 3 391.349 3.655 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000121588671 883858518 /nfs/dbraw/zinc/85/85/18/883858518.db2.gz OEYKRACCULFEJJ-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000121588671 883858532 /nfs/dbraw/zinc/85/85/32/883858532.db2.gz OEYKRACCULFEJJ-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(/C=C/c1ccsc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000761745440 883975894 /nfs/dbraw/zinc/97/58/94/883975894.db2.gz GEOJJVSJNYBLCC-DAFODLJHSA-N -1 3 390.892 3.998 20 0 GHADHM CCC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000102649105 884035276 /nfs/dbraw/zinc/03/52/76/884035276.db2.gz AZPCLASTIZQQFD-INIZCTEOSA-N -1 3 381.398 3.606 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000012990605 884164415 /nfs/dbraw/zinc/16/44/15/884164415.db2.gz UIODGDWUROWIFG-AWEZNQCLSA-N -1 3 389.473 3.611 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1ncccc1C(F)(F)F ZINC001130415230 884169552 /nfs/dbraw/zinc/16/95/52/884169552.db2.gz YOUKGVPIVDQVSB-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM COC(=O)c1oc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1C ZINC000859969538 884220797 /nfs/dbraw/zinc/22/07/97/884220797.db2.gz GUAYCTDAAPLOSY-VIFPVBQESA-N -1 3 390.417 3.620 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(OC)c3ccccc3F)c2)n1 ZINC000192186603 884244155 /nfs/dbraw/zinc/24/41/55/884244155.db2.gz HIQFVFWLBIHHSF-JOCHJYFZSA-N -1 3 395.434 3.639 20 0 GHADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000556283806 884322280 /nfs/dbraw/zinc/32/22/80/884322280.db2.gz YXQSGSKGYGZSOQ-UHFFFAOYSA-N -1 3 378.436 3.793 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(C)cc1 ZINC000914609776 884325693 /nfs/dbraw/zinc/32/56/93/884325693.db2.gz KJVDWBCIUHYVQB-UHFFFAOYSA-N -1 3 392.496 3.878 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000795781341 912815292 /nfs/dbraw/zinc/81/52/92/912815292.db2.gz DYYHHUFCBRXPHP-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000228884374 884465110 /nfs/dbraw/zinc/46/51/10/884465110.db2.gz NDRQEWVIZNZRRU-QWRGUYRKSA-N -1 3 382.320 3.541 20 0 GHADHM COc1ccc(OCc2nc(CNC3(C(=O)[O-])CCCCC3)cs2)cc1 ZINC000556322470 884471651 /nfs/dbraw/zinc/47/16/51/884471651.db2.gz YWSQLNNZTPXTBM-UHFFFAOYSA-N -1 3 376.478 3.608 20 0 GHADHM COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000860247187 884480545 /nfs/dbraw/zinc/48/05/45/884480545.db2.gz SYDLQWCAEIHDLF-HNNXBMFYSA-N -1 3 376.250 3.510 20 0 GHADHM Cc1cc(Br)c(C(=O)[N-]n2cnc3ccccc3c2=O)cc1Cl ZINC000806272022 884527886 /nfs/dbraw/zinc/52/78/86/884527886.db2.gz WALVLLDLYCRLJN-UHFFFAOYSA-N -1 3 392.640 3.505 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1F ZINC000914717050 884608065 /nfs/dbraw/zinc/60/80/65/884608065.db2.gz YNUMMWJLGUWLQB-UHFFFAOYSA-N -1 3 378.469 3.888 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cccc(Cl)c1 ZINC000914725178 884616083 /nfs/dbraw/zinc/61/60/83/884616083.db2.gz JBSGRRKZWHVBCC-UHFFFAOYSA-N -1 3 398.887 3.833 20 0 GHADHM CSc1cc(C(=O)COC(=O)c2cc3ccsc3[n-]2)ccc1NC(C)=O ZINC000918939909 884626090 /nfs/dbraw/zinc/62/60/90/884626090.db2.gz PGSFJQZZLBFQCL-UHFFFAOYSA-N -1 3 388.470 3.949 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000860442449 884681710 /nfs/dbraw/zinc/68/17/10/884681710.db2.gz OEKUNINXTKDPCW-GFCCVEGCSA-N -1 3 397.269 3.707 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1 ZINC000898265007 884684754 /nfs/dbraw/zinc/68/47/54/884684754.db2.gz GERSHWGVWNMYPD-UHFFFAOYSA-N -1 3 399.882 3.693 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000649170943 884797183 /nfs/dbraw/zinc/79/71/83/884797183.db2.gz KSAZKDXIDIEGJX-CWRNSKLLSA-N -1 3 388.464 3.545 20 0 GHADHM CCC[C@@H](NCc1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263436067 884853134 /nfs/dbraw/zinc/85/31/34/884853134.db2.gz USCFECVWDQWJAP-OAQYLSRUSA-N -1 3 395.503 3.882 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3cccc(Br)c3)o2)n1 ZINC000761859006 884873624 /nfs/dbraw/zinc/87/36/24/884873624.db2.gz BBMWGIVJXQEIMW-UHFFFAOYSA-N -1 3 379.239 3.595 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000914845961 884949815 /nfs/dbraw/zinc/94/98/15/884949815.db2.gz GXOGEVPOKMBHOV-UHFFFAOYSA-N -1 3 375.277 3.565 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000498596562 884954039 /nfs/dbraw/zinc/95/40/39/884954039.db2.gz SFXSRTOBBAKZOG-UHFFFAOYSA-N -1 3 378.432 3.592 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cnn3c2nccc3-c2ccccc2)s1 ZINC000106194917 884998812 /nfs/dbraw/zinc/99/88/12/884998812.db2.gz FWIIGSMOKHFREM-UHFFFAOYSA-N -1 3 378.461 3.843 20 0 GHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000914891435 885117745 /nfs/dbraw/zinc/11/77/45/885117745.db2.gz OQCRXSXRIVNUOU-GFCCVEGCSA-N -1 3 381.457 3.615 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1Cl ZINC000747367329 885177524 /nfs/dbraw/zinc/17/75/24/885177524.db2.gz BRLYIYIYEWIIQO-UHFFFAOYSA-N -1 3 377.828 3.696 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4[nH]c(=O)[nH]c4c3)nc(=O)c2c1C ZINC000914927291 885198053 /nfs/dbraw/zinc/19/80/53/885198053.db2.gz TXYZKOVDVMGJRI-QMMMGPOBSA-N -1 3 384.417 3.514 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C(=Cc3ccccc3)C(F)(F)F)nc21 ZINC001127331410 885201713 /nfs/dbraw/zinc/20/17/13/885201713.db2.gz PMSOENCAJSWTJR-JLHYYAGUSA-N -1 3 389.333 3.934 20 0 GHADHM COC[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1Cl ZINC000861059407 885209340 /nfs/dbraw/zinc/20/93/40/885209340.db2.gz LIZUDRZZVDKPJB-OAHLLOKOSA-N -1 3 385.247 3.579 20 0 GHADHM COc1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C(F)(F)F)c1 ZINC000747379159 885325528 /nfs/dbraw/zinc/32/55/28/885325528.db2.gz UAYDJWQEPZTWAM-UHFFFAOYSA-N -1 3 383.370 3.571 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919324402 885379272 /nfs/dbraw/zinc/37/92/72/885379272.db2.gz HSAQDILUZCQICM-ZDUSSCGKSA-N -1 3 383.404 3.561 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919324402 885379294 /nfs/dbraw/zinc/37/92/94/885379294.db2.gz HSAQDILUZCQICM-ZDUSSCGKSA-N -1 3 383.404 3.561 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1ccc(Br)s1 ZINC000045812275 885394297 /nfs/dbraw/zinc/39/42/97/885394297.db2.gz BTVHXDUKSFEAID-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1c[nH]c2ccccc21 ZINC000614823597 885548777 /nfs/dbraw/zinc/54/87/77/885548777.db2.gz BWWAYQVXZHUBPW-KFWWJZLASA-N -1 3 394.475 3.542 20 0 GHADHM CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000805288526 885579513 /nfs/dbraw/zinc/57/95/13/885579513.db2.gz RSRRETNRQIMMKG-AWEZNQCLSA-N -1 3 376.478 3.690 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nc(C)cs1 ZINC000104759898 885605378 /nfs/dbraw/zinc/60/53/78/885605378.db2.gz TTYYQSOWEBNSKE-LLVKDONJSA-N -1 3 393.303 3.783 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1csc(N2CCCCC2)n1 ZINC001127493080 885680343 /nfs/dbraw/zinc/68/03/43/885680343.db2.gz LJACZDILKXSKGD-UHFFFAOYSA-N -1 3 377.520 3.966 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000151601624 885702511 /nfs/dbraw/zinc/70/25/11/885702511.db2.gz PACLWKDJUBEUTQ-SECBINFHSA-N -1 3 392.308 3.855 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000108638578 885778468 /nfs/dbraw/zinc/77/84/68/885778468.db2.gz CQGOFKQQHMMZIM-UHFFFAOYSA-N -1 3 375.837 3.529 20 0 GHADHM C[C@@H]1COCCN1c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000861766962 885838853 /nfs/dbraw/zinc/83/88/53/885838853.db2.gz KYATVHOWIAXBND-GFCCVEGCSA-N -1 3 391.265 3.632 20 0 GHADHM Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055105480 886002508 /nfs/dbraw/zinc/00/25/08/886002508.db2.gz DEAHUESAZYWVBM-UHFFFAOYSA-N -1 3 396.871 3.824 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000118435610 886192951 /nfs/dbraw/zinc/19/29/51/886192951.db2.gz PAPFFDJHUJYJSO-OAHLLOKOSA-N -1 3 375.343 3.610 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 ZINC000862213698 886211085 /nfs/dbraw/zinc/21/10/85/886211085.db2.gz SPSDAAHFSPOTTE-FQEVSTJZSA-N -1 3 383.492 3.547 20 0 GHADHM CCCCOCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000118302907 886215113 /nfs/dbraw/zinc/21/51/13/886215113.db2.gz PDIAXEVFIGTQJT-UHFFFAOYSA-N -1 3 376.478 3.551 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1F ZINC000056461350 886242301 /nfs/dbraw/zinc/24/23/01/886242301.db2.gz XBVITRFHVYUHFW-UHFFFAOYSA-N -1 3 397.406 3.508 20 0 GHADHM Cc1cc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)ncn1 ZINC000644101493 913037884 /nfs/dbraw/zinc/03/78/84/913037884.db2.gz JEQDTIAMMFUKEP-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235078171 886525827 /nfs/dbraw/zinc/52/58/27/886525827.db2.gz NMTDZOJXPZSVTF-LURJTMIESA-N -1 3 380.613 3.722 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(F)cc(OC(F)F)c1)c2=O ZINC001184167016 913062727 /nfs/dbraw/zinc/06/27/27/913062727.db2.gz LZRUFOOTYGPIFB-UHFFFAOYSA-N -1 3 378.306 3.530 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)n[n-]c21 ZINC000808676610 886672409 /nfs/dbraw/zinc/67/24/09/886672409.db2.gz OTPQXOVKAKJTCA-UHFFFAOYSA-N -1 3 387.823 3.637 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000808676610 886672418 /nfs/dbraw/zinc/67/24/18/886672418.db2.gz OTPQXOVKAKJTCA-UHFFFAOYSA-N -1 3 387.823 3.637 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000644166838 913085475 /nfs/dbraw/zinc/08/54/75/913085475.db2.gz OJYWCVIESICIDB-UHFFFAOYSA-N -1 3 382.357 3.934 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC000863062666 886862108 /nfs/dbraw/zinc/86/21/08/886862108.db2.gz HCIRKHSJLGFQSU-UHFFFAOYSA-N -1 3 382.247 3.534 20 0 GHADHM C/C=C/CNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000863118938 886880672 /nfs/dbraw/zinc/88/06/72/886880672.db2.gz GKQFQCZWKNWOFH-DUMNWFOQSA-N -1 3 393.336 3.766 20 0 GHADHM O=C(Nc1cccc([O-])c1F)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000128193583 887156624 /nfs/dbraw/zinc/15/66/24/887156624.db2.gz WUSZFBKPPZWESD-UHFFFAOYSA-N -1 3 382.844 3.737 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000459315860 887317759 /nfs/dbraw/zinc/31/77/59/887317759.db2.gz YGCUJUWIZSIRLU-XLIONFOSSA-N -1 3 393.915 3.840 20 0 GHADHM O=c1cc(CN(CCO)[C@@H]2CCc3ccccc32)c2cc(Cl)c([O-])cc2o1 ZINC000794560243 887391345 /nfs/dbraw/zinc/39/13/45/887391345.db2.gz MPHJYXXHVJCVKE-GOSISDBHSA-N -1 3 385.847 3.634 20 0 GHADHM O=c1cc(CN(CCO)[C@H]2CCc3ccccc32)c2cc(Cl)c([O-])cc2o1 ZINC000794560244 887391465 /nfs/dbraw/zinc/39/14/65/887391465.db2.gz MPHJYXXHVJCVKE-SFHVURJKSA-N -1 3 385.847 3.634 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)cc1C ZINC000830018884 887504042 /nfs/dbraw/zinc/50/40/42/887504042.db2.gz ZSCMKVXVWFCHAC-UHFFFAOYSA-N -1 3 391.276 3.523 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1NCc1cccc([O-])c1Br ZINC000459347572 887535752 /nfs/dbraw/zinc/53/57/52/887535752.db2.gz CMBKCCOJHMLOIK-UHFFFAOYSA-N -1 3 377.282 3.912 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc2cc(Cl)ccc2s1 ZINC000644277191 913156849 /nfs/dbraw/zinc/15/68/49/913156849.db2.gz ZMNALYRADPDVLF-GXFFZTMASA-N -1 3 399.843 3.679 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000794592801 887584228 /nfs/dbraw/zinc/58/42/28/887584228.db2.gz NQFIYFOYIKPOMY-UHFFFAOYSA-N -1 3 377.853 3.918 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000026791634 887622372 /nfs/dbraw/zinc/62/23/72/887622372.db2.gz JBHDMYXJBFRHNX-UHFFFAOYSA-N -1 3 394.424 3.744 20 0 GHADHM COCCC[C@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000794735445 887971206 /nfs/dbraw/zinc/97/12/06/887971206.db2.gz ICMDRTHVZSWVLI-ZGPWBKFBSA-N -1 3 398.890 3.751 20 0 GHADHM CSCCc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001170592252 888037992 /nfs/dbraw/zinc/03/79/92/888037992.db2.gz LVIQHUOVYAIGOQ-UHFFFAOYSA-N -1 3 398.937 3.869 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000055409139 888157994 /nfs/dbraw/zinc/15/79/94/888157994.db2.gz ZJJAWIPOWPSWQV-UHFFFAOYSA-N -1 3 387.524 3.752 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)nc2Br)c1 ZINC000120396134 888197010 /nfs/dbraw/zinc/19/70/10/888197010.db2.gz UBTDAMGIBOPRDR-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1Br ZINC000055616361 888235283 /nfs/dbraw/zinc/23/52/83/888235283.db2.gz PBYPQKRAOJEOKQ-UHFFFAOYSA-N -1 3 386.267 3.581 20 0 GHADHM CCc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1CC ZINC000810201958 888288077 /nfs/dbraw/zinc/28/80/77/888288077.db2.gz PSDUJJAZDJTWJM-CYBMUJFWSA-N -1 3 385.430 3.734 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c(Cl)cc1F ZINC000120574316 888372519 /nfs/dbraw/zinc/37/25/19/888372519.db2.gz LLGDMFMSDRXSFU-UHFFFAOYSA-N -1 3 383.754 3.507 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000763267249 888417092 /nfs/dbraw/zinc/41/70/92/888417092.db2.gz VMPIRZXSAYCHQZ-HXUWFJFHSA-N -1 3 386.448 3.862 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000763267249 888417103 /nfs/dbraw/zinc/41/71/03/888417103.db2.gz VMPIRZXSAYCHQZ-HXUWFJFHSA-N -1 3 386.448 3.862 20 0 GHADHM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000810414355 888480474 /nfs/dbraw/zinc/48/04/74/888480474.db2.gz QMVLVXWMLHURSG-NHYWBVRUSA-N -1 3 398.887 3.536 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1F ZINC000747604680 888494485 /nfs/dbraw/zinc/49/44/85/888494485.db2.gz PVJQMGFSODEYRF-UHFFFAOYSA-N -1 3 393.436 3.735 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000810443716 888523299 /nfs/dbraw/zinc/52/32/99/888523299.db2.gz ULETVVPPNMWTLM-WBMJQRKESA-N -1 3 382.888 3.859 20 0 GHADHM Cc1c2cccc(Cl)c2sc1CNCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865867170 888622546 /nfs/dbraw/zinc/62/25/46/888622546.db2.gz YUTOJXDAYKHHAZ-UHFFFAOYSA-N -1 3 375.881 3.721 20 0 GHADHM Cc1nc(N2CCN(Cc3cccc([O-])c3Br)CC2)sc1C ZINC000459381407 888661895 /nfs/dbraw/zinc/66/18/95/888661895.db2.gz UWPDBBGIFKOJKK-UHFFFAOYSA-N -1 3 382.327 3.550 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@]2(C)CCCC[C@H]2C)cc1OC ZINC000454378300 888924384 /nfs/dbraw/zinc/92/43/84/888924384.db2.gz UEDZOECFOWOINK-FZKQIMNGSA-N -1 3 383.514 3.547 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2ccccc2F)s1 ZINC000866627230 888977191 /nfs/dbraw/zinc/97/71/91/888977191.db2.gz AGIBWNZLYOGOAN-LBPRGKRZSA-N -1 3 385.464 3.973 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2ccccc2F)s1 ZINC000866627229 888977252 /nfs/dbraw/zinc/97/72/52/888977252.db2.gz AGIBWNZLYOGOAN-GFCCVEGCSA-N -1 3 385.464 3.973 20 0 GHADHM CC(C)(C)c1ccc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810900280 889009316 /nfs/dbraw/zinc/00/93/16/889009316.db2.gz DKOPLAXIHLBSLA-MRXNPFEDSA-N -1 3 398.469 3.834 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810901153 889009946 /nfs/dbraw/zinc/00/99/46/889009946.db2.gz OSGVWVQFTGAEBZ-DOTOQJQBSA-N -1 3 398.469 3.906 20 0 GHADHM C[C@@]1(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000866736662 889019910 /nfs/dbraw/zinc/01/99/10/889019910.db2.gz ZQBJOADJAJZVLD-JSGCOSHPSA-N -1 3 391.345 3.736 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)c2cccc(C(C)(C)C)c2)s1 ZINC001132539617 889039697 /nfs/dbraw/zinc/03/96/97/889039697.db2.gz CZAZLGMZILGRQT-UHFFFAOYSA-N -1 3 395.550 3.770 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3ccccc3Cl)s2)c2ccccc21 ZINC000139235107 889246392 /nfs/dbraw/zinc/24/63/92/889246392.db2.gz XQCUNKFSCIPKCC-UKTHLTGXSA-N -1 3 382.832 3.582 20 0 GHADHM COc1cc(F)c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1OC ZINC000123966248 889462153 /nfs/dbraw/zinc/46/21/53/889462153.db2.gz FGQZXKBLBREMSY-UHFFFAOYSA-N -1 3 384.363 3.685 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccc(F)cc3Cl)nc21 ZINC000533004345 889504368 /nfs/dbraw/zinc/50/43/68/889504368.db2.gz XRXPJBWAOLBEHS-SECBINFHSA-N -1 3 391.786 3.548 20 0 GHADHM CC(=O)NCc1ccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811393592 889534833 /nfs/dbraw/zinc/53/48/33/889534833.db2.gz AWCUTIIPILDFMJ-UHFFFAOYSA-N -1 3 390.848 3.559 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)NCc2csc3ccccc23)C1)C(F)(F)F ZINC000811858170 890053841 /nfs/dbraw/zinc/05/38/41/890053841.db2.gz FXTZGAABKNPUGW-GFCCVEGCSA-N -1 3 399.438 3.501 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3cccc(C)c3)nc(=O)c2c1C ZINC000533251548 890098041 /nfs/dbraw/zinc/09/80/41/890098041.db2.gz OXHKYJNXVXLPIB-HNNXBMFYSA-N -1 3 397.500 3.725 20 0 GHADHM Cc1nc(C)c(CC(=O)N(C)Cc2ccccc2OCc2ccccc2)c(=O)[n-]1 ZINC000870468708 890371088 /nfs/dbraw/zinc/37/10/88/890371088.db2.gz SCJLCXUUHRSJQJ-UHFFFAOYSA-N -1 3 391.471 3.579 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126122567 890375867 /nfs/dbraw/zinc/37/58/67/890375867.db2.gz WCFMVROIBHUGIY-NSHDSACASA-N -1 3 375.332 3.828 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1c(Cl)cccc1Cl ZINC000065795925 890652661 /nfs/dbraw/zinc/65/26/61/890652661.db2.gz AWPSGXKGGCKCMK-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(C(F)(F)F)n1 ZINC000123551081 890713194 /nfs/dbraw/zinc/71/31/94/890713194.db2.gz ZTXGCQJCPBELBL-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nn1 ZINC000127142307 890914855 /nfs/dbraw/zinc/91/48/55/890914855.db2.gz BEXOYWXTRJFWRJ-UHFFFAOYSA-N -1 3 388.522 3.720 20 0 GHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1cccc2cnccc21 ZINC000066621855 891007421 /nfs/dbraw/zinc/00/74/21/891007421.db2.gz VVEZNACGCRYKBO-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000066757113 891046386 /nfs/dbraw/zinc/04/63/86/891046386.db2.gz GDMWOHSQWDLUMR-UHFFFAOYSA-N -1 3 386.481 3.590 20 0 GHADHM CC(C)(C)CC[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871878577 891070368 /nfs/dbraw/zinc/07/03/68/891070368.db2.gz OVXMSPCVUKUIOD-LBPRGKRZSA-N -1 3 393.240 3.799 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1-c1ccccc1 ZINC000105990313 891118359 /nfs/dbraw/zinc/11/83/59/891118359.db2.gz WLDYIKFZEDXPFT-UHFFFAOYSA-N -1 3 392.484 3.867 20 0 GHADHM Cc1nc(C2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)sc1C(=O)[O-] ZINC000872165624 891190499 /nfs/dbraw/zinc/19/04/99/891190499.db2.gz YEEGZCCQHYWUKB-OAHLLOKOSA-N -1 3 380.897 3.716 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cscc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323108 891237686 /nfs/dbraw/zinc/23/76/86/891237686.db2.gz BCXUNNPORRLRTN-UONOGXRCSA-N -1 3 384.270 3.950 20 0 GHADHM CCOc1cc2c(cc1CN[C@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@@H](C)C2 ZINC000825615593 891279182 /nfs/dbraw/zinc/27/91/82/891279182.db2.gz BVPWAUYWNPXTJJ-QWHCGFSZSA-N -1 3 397.454 3.579 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825621381 891297986 /nfs/dbraw/zinc/29/79/86/891297986.db2.gz RHOUKGBTFGYYHI-UHFFFAOYSA-N -1 3 397.401 3.963 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825621381 891298000 /nfs/dbraw/zinc/29/80/00/891298000.db2.gz RHOUKGBTFGYYHI-UHFFFAOYSA-N -1 3 397.401 3.963 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000917124136 891379977 /nfs/dbraw/zinc/37/99/77/891379977.db2.gz HOJLZXKKPJCASZ-UHFFFAOYSA-N -1 3 390.262 3.881 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000128187752 891469724 /nfs/dbraw/zinc/46/97/24/891469724.db2.gz CGHDHSLXOBZNGN-BBATYDOGSA-N -1 3 376.840 3.510 20 0 GHADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000497406372 891521331 /nfs/dbraw/zinc/52/13/31/891521331.db2.gz FSGVZMXSHWWJEX-NSHDSACASA-N -1 3 391.386 3.763 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)cc1 ZINC000747854919 891612594 /nfs/dbraw/zinc/61/25/94/891612594.db2.gz IURBANSGTCOKEV-OVCLIPMQSA-N -1 3 388.489 3.520 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000813427608 891645353 /nfs/dbraw/zinc/64/53/53/891645353.db2.gz JUXVXMAIKSNCLL-JTQLQIEISA-N -1 3 393.336 3.743 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000253547979 891878236 /nfs/dbraw/zinc/87/82/36/891878236.db2.gz SPUUWBJEBFIVCR-ZBEGNZNMSA-N -1 3 383.473 3.685 20 0 GHADHM COc1ccc(-c2cncc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)c(C)c1 ZINC001133907340 891926890 /nfs/dbraw/zinc/92/68/90/891926890.db2.gz UVFUSSHAIGMDET-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM Cc1cc(F)ccc1-c1noc([C@@H](N)CCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC001212097766 891969061 /nfs/dbraw/zinc/96/90/61/891969061.db2.gz IPLWZRHVEMQBKX-KRWDZBQOSA-N -1 3 395.390 3.629 20 0 GHADHM COc1ccc(F)cc1-c1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000917601009 892268905 /nfs/dbraw/zinc/26/89/05/892268905.db2.gz GQKQYMWZHGPEPP-DHDCSXOGSA-N -1 3 395.415 3.681 20 0 GHADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263115033 892440036 /nfs/dbraw/zinc/44/00/36/892440036.db2.gz LKSGXTPAAMMZNT-MOPGFXCFSA-N -1 3 394.515 3.858 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000263400699 892551429 /nfs/dbraw/zinc/55/14/29/892551429.db2.gz ZYWOXYHQRGGOPC-YPMHNXCESA-N -1 3 379.254 3.647 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000365730470 921117911 /nfs/dbraw/zinc/11/79/11/921117911.db2.gz AMHGVVRBYFXHGM-UHFFFAOYSA-N -1 3 377.831 3.792 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C ZINC000917911908 892807730 /nfs/dbraw/zinc/80/77/30/892807730.db2.gz PFBBGQYKTIFPFR-UHFFFAOYSA-N -1 3 397.324 3.529 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c(Br)n1 ZINC001185187124 913711554 /nfs/dbraw/zinc/71/15/54/913711554.db2.gz VJRNJFLJINFHCI-UHFFFAOYSA-N -1 3 394.250 3.608 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1CC ZINC000533786426 892954665 /nfs/dbraw/zinc/95/46/65/892954665.db2.gz RFRAZDMMHYXQMZ-LJQANCHMSA-N -1 3 375.490 3.780 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1CC ZINC000533786425 892954975 /nfs/dbraw/zinc/95/49/75/892954975.db2.gz RFRAZDMMHYXQMZ-IBGZPJMESA-N -1 3 375.490 3.780 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)c(=O)c2c(OC)c1 ZINC000626485008 893029919 /nfs/dbraw/zinc/02/99/19/893029919.db2.gz AKDWZDLWXNLSPC-CABCVRRESA-N -1 3 386.492 3.880 20 0 GHADHM CN1CCO[C@H]([C@@H](NCc2cccc([O-])c2Cl)c2ccc(Cl)cc2)C1 ZINC000645171240 913725699 /nfs/dbraw/zinc/72/56/99/913725699.db2.gz WFZLEKGPDVDVOW-HKUYNNGSSA-N -1 3 381.303 3.861 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466596 893050304 /nfs/dbraw/zinc/05/03/04/893050304.db2.gz GUZZWQRLWJVYIB-ZDUSSCGKSA-N -1 3 398.463 3.523 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCc3c2cccc3Br)cc(OC)c1[O-] ZINC000162781290 893136989 /nfs/dbraw/zinc/13/69/89/893136989.db2.gz KVDHTVHOWPJXEZ-CQSZACIVSA-N -1 3 392.249 3.589 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(-c4cnco4)cc3)cccc21 ZINC001185229252 913743186 /nfs/dbraw/zinc/74/31/86/913743186.db2.gz IPXXMKVXDPZITR-SFHVURJKSA-N -1 3 399.472 3.528 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1 ZINC000533852292 893246180 /nfs/dbraw/zinc/24/61/80/893246180.db2.gz BBMJWGFZTLXOSY-UHFFFAOYSA-N -1 3 383.828 3.505 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cn2c(Br)cnc2s1 ZINC000815085634 893433006 /nfs/dbraw/zinc/43/30/06/893433006.db2.gz CQYQUJPRVXRILI-UHFFFAOYSA-N -1 3 396.251 3.522 20 0 GHADHM Cc1noc(CCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000129491930 893498791 /nfs/dbraw/zinc/49/87/91/893498791.db2.gz XNPXXOARAIBPLR-UHFFFAOYSA-N -1 3 380.429 3.932 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000815186472 893533093 /nfs/dbraw/zinc/53/30/93/893533093.db2.gz UFYHIPFPPBPCBL-MLGOLLRUSA-N -1 3 382.888 3.954 20 0 GHADHM CC(C)C[C@H](NCc1cccc([O-])c1Br)C(=O)Nc1nccs1 ZINC000459448409 893541090 /nfs/dbraw/zinc/54/10/90/893541090.db2.gz XXPAMHYVJQCOSD-LBPRGKRZSA-N -1 3 398.326 3.754 20 0 GHADHM C/C=C/COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000918510968 893856644 /nfs/dbraw/zinc/85/66/44/893856644.db2.gz COIMUHOUZPXKRN-SNAWJCMRSA-N -1 3 375.446 3.537 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(-c2ccc(Cl)s2)n1 ZINC000129707325 893868934 /nfs/dbraw/zinc/86/89/34/893868934.db2.gz RXYQTCUAEXNVDN-UHFFFAOYSA-N -1 3 379.829 3.959 20 0 GHADHM COCCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(F)cc1Cl ZINC000878084126 894001329 /nfs/dbraw/zinc/00/13/29/894001329.db2.gz AVHZWEVQGXOXGZ-UHFFFAOYSA-N -1 3 391.830 3.883 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000934897429 894017704 /nfs/dbraw/zinc/01/77/04/894017704.db2.gz MAOKGSDOUOTHHH-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000934897429 894017720 /nfs/dbraw/zinc/01/77/20/894017720.db2.gz MAOKGSDOUOTHHH-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000563686391 894070040 /nfs/dbraw/zinc/07/00/40/894070040.db2.gz ASCOKUSZJCOVFG-GNXNZQSNSA-N -1 3 386.926 3.698 20 0 GHADHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CC[C@H](C)c2ccccc21 ZINC001135173404 894156352 /nfs/dbraw/zinc/15/63/52/894156352.db2.gz FHINXAQIWASOCS-RNODOKPDSA-N -1 3 391.389 4.000 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)o1 ZINC000878450837 894301744 /nfs/dbraw/zinc/30/17/44/894301744.db2.gz ATKONJFHZMWMNU-QGZVFWFLSA-N -1 3 389.814 3.808 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)[nH][n-]1 ZINC000537120171 894341350 /nfs/dbraw/zinc/34/13/50/894341350.db2.gz BHINEEBAPBJHNW-KRWDZBQOSA-N -1 3 394.500 3.502 20 0 GHADHM O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878537764 894370391 /nfs/dbraw/zinc/37/03/91/894370391.db2.gz NEXAFSINOBQWKH-GOSISDBHSA-N -1 3 393.443 3.540 20 0 GHADHM CC(=O)CCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000778325345 894393614 /nfs/dbraw/zinc/39/36/14/894393614.db2.gz JCWDOYSGKURERZ-UHFFFAOYSA-N -1 3 393.436 3.543 20 0 GHADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000537183802 894538981 /nfs/dbraw/zinc/53/89/81/894538981.db2.gz QBIPOFMJLAPKQV-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564098607 894592186 /nfs/dbraw/zinc/59/21/86/894592186.db2.gz UQGNLQJDCNGAGB-NDEPHWFRSA-N -1 3 399.516 3.893 20 0 GHADHM CCc1ccc([C@H]2CN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CCO2)cc1 ZINC000935616751 894670409 /nfs/dbraw/zinc/67/04/09/894670409.db2.gz LFKVDSDKMWDVAC-HXUWFJFHSA-N -1 3 398.409 3.582 20 0 GHADHM COC[C@@H](C)N(Cc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCc2ccccc21 ZINC000879066041 894817625 /nfs/dbraw/zinc/81/76/25/894817625.db2.gz ZMJXFUYRCFLTIP-DNVCBOLYSA-N -1 3 379.460 3.967 20 0 GHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)ccc2[nH]1 ZINC000537396971 894896360 /nfs/dbraw/zinc/89/63/60/894896360.db2.gz PRRWVVDGDVIVBQ-UHFFFAOYSA-N -1 3 398.484 3.605 20 0 GHADHM CN(C(=O)c1ccncc1)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000816552624 894938564 /nfs/dbraw/zinc/93/85/64/894938564.db2.gz RDOUBWRAAFJIIA-UHFFFAOYSA-N -1 3 383.398 3.632 20 0 GHADHM CCC1CCC(N(CCO)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000564512583 895044718 /nfs/dbraw/zinc/04/47/18/895044718.db2.gz POLDJNNMYBHJFO-UHFFFAOYSA-N -1 3 398.507 3.953 20 0 GHADHM Cc1ccc(-c2ccc(C)c(NC(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)c2)o1 ZINC000879445918 895061401 /nfs/dbraw/zinc/06/14/01/895061401.db2.gz VBSGEDQVBGLQEW-UHFFFAOYSA-N -1 3 395.381 3.706 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000116652158 895068920 /nfs/dbraw/zinc/06/89/20/895068920.db2.gz CYOMGGGMQDAURT-UHFFFAOYSA-N -1 3 380.897 3.584 20 0 GHADHM COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000816826837 895117788 /nfs/dbraw/zinc/11/77/88/895117788.db2.gz TYIWSMPAOUOWRD-OAQYLSRUSA-N -1 3 381.453 3.564 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c(O)c1 ZINC001135745035 895198189 /nfs/dbraw/zinc/19/81/89/895198189.db2.gz BFPXRIVDSILBIH-UHFFFAOYSA-N -1 3 378.306 3.693 20 0 GHADHM C[C@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)cc2)CCO1 ZINC000816930015 895222676 /nfs/dbraw/zinc/22/26/76/895222676.db2.gz RVNBLKYINNXQKR-LBPRGKRZSA-N -1 3 380.366 3.888 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)c2ccccc2[O-])CC1)OCc1ccccc1 ZINC000816986376 895243332 /nfs/dbraw/zinc/24/33/32/895243332.db2.gz DSFXPLXQRUHYQO-VQTJNVASSA-N -1 3 394.471 3.559 20 0 GHADHM CCc1cccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c1[O-] ZINC000817209250 895394245 /nfs/dbraw/zinc/39/42/45/895394245.db2.gz NEDFMIRQGVFACI-UHFFFAOYSA-N -1 3 388.508 3.818 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000774905488 913996915 /nfs/dbraw/zinc/99/69/15/913996915.db2.gz OONNMUXVGOTKRA-MUSGIIIZSA-N -1 3 379.865 3.535 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1cccs1 ZINC001185720443 914042247 /nfs/dbraw/zinc/04/22/47/914042247.db2.gz IJSORVFLOLKNQF-MRXNPFEDSA-N -1 3 385.507 3.892 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1OC ZINC000566271903 896209162 /nfs/dbraw/zinc/20/91/62/896209162.db2.gz XDKKVCPFTWQHET-JKSUJKDBSA-N -1 3 380.510 3.612 20 0 GHADHM COc1ccc(CNc2ccc(Oc3ccc(F)cc3)nc2)cc1-c1nnn[n-]1 ZINC000826204093 896249005 /nfs/dbraw/zinc/24/90/05/896249005.db2.gz XBTPLDAISSAZKB-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1ccc(CNc2ccc(Oc3ccc(F)cc3)nc2)cc1-c1nn[n-]n1 ZINC000826204093 896249023 /nfs/dbraw/zinc/24/90/23/896249023.db2.gz XBTPLDAISSAZKB-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001136185609 896389656 /nfs/dbraw/zinc/38/96/56/896389656.db2.gz GJIBMHQKDKBEPI-UHFFFAOYSA-N -1 3 390.443 3.984 20 0 GHADHM COc1cccc([C@H]2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C2(C)C)c1 ZINC000881654349 896439553 /nfs/dbraw/zinc/43/95/53/896439553.db2.gz OTCVKFJCITVREH-LJQANCHMSA-N -1 3 383.492 3.535 20 0 GHADHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)cn1 ZINC000881885680 896567581 /nfs/dbraw/zinc/56/75/81/896567581.db2.gz NZSKOBCPZDJTJB-SECBINFHSA-N -1 3 396.822 3.571 20 0 GHADHM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136220246 896715872 /nfs/dbraw/zinc/71/58/72/896715872.db2.gz UZNNELGLMHYAIY-HNNXBMFYSA-N -1 3 390.233 3.826 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826257112 896745119 /nfs/dbraw/zinc/74/51/19/896745119.db2.gz OBAQTPBUUSXPOT-LBPRGKRZSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826257112 896745132 /nfs/dbraw/zinc/74/51/32/896745132.db2.gz OBAQTPBUUSXPOT-LBPRGKRZSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1nnc([C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)s1 ZINC000826262426 896749974 /nfs/dbraw/zinc/74/99/74/896749974.db2.gz OKOKTRPMJPCSQA-ZCFIWIBFSA-N -1 3 387.416 3.602 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCCCS1 ZINC000826271992 896826088 /nfs/dbraw/zinc/82/60/88/896826088.db2.gz QCEFUSNJSCWWDG-INIZCTEOSA-N -1 3 396.476 3.587 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c(=O)[n-]1 ZINC000567065318 896844111 /nfs/dbraw/zinc/84/41/11/896844111.db2.gz XVQJGHUVJOOSSL-QGZVFWFLSA-N -1 3 379.382 3.628 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)CCCC(C)(C)C)c1nc(-c2ccncc2)no1 ZINC000567086077 896862203 /nfs/dbraw/zinc/86/22/03/896862203.db2.gz XTZZSJAIOICAIW-HNNXBMFYSA-N -1 3 380.514 3.574 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826287915 896942025 /nfs/dbraw/zinc/94/20/25/896942025.db2.gz JGASRRGSPKAZHK-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccc(CNC(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826287915 896942027 /nfs/dbraw/zinc/94/20/27/896942027.db2.gz JGASRRGSPKAZHK-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000819854842 897019688 /nfs/dbraw/zinc/01/96/88/897019688.db2.gz CPMUHSVDEGCDKO-AWEZNQCLSA-N -1 3 379.439 3.581 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000819854842 897019701 /nfs/dbraw/zinc/01/97/01/897019701.db2.gz CPMUHSVDEGCDKO-AWEZNQCLSA-N -1 3 379.439 3.581 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)N=c3[nH][n-]cc3Br)c2)c1 ZINC000567375809 897102252 /nfs/dbraw/zinc/10/22/52/897102252.db2.gz JILYFYNOTIDUQG-UHFFFAOYSA-N -1 3 386.249 3.734 20 0 GHADHM CC[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)Oc1cccc(F)c1 ZINC001137182682 897160909 /nfs/dbraw/zinc/16/09/09/897160909.db2.gz ZKRIMHSOSYRTBT-ZDUSSCGKSA-N -1 3 388.826 3.908 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(CC)CC ZINC001137183431 897245215 /nfs/dbraw/zinc/24/52/15/897245215.db2.gz ITXLIQRDPVSYLC-DLBZAZTESA-N -1 3 392.446 3.862 20 0 GHADHM COCCOc1cc(C)ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001136326534 897294427 /nfs/dbraw/zinc/29/44/27/897294427.db2.gz HAYWNOTXEIVIRG-UHFFFAOYSA-N -1 3 380.238 3.741 20 0 GHADHM CCOC(=O)N(C)c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001136352820 897400669 /nfs/dbraw/zinc/40/06/69/897400669.db2.gz LZLLAZWAPCULMO-UHFFFAOYSA-N -1 3 393.237 4.000 20 0 GHADHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1Cl ZINC000027388209 897499622 /nfs/dbraw/zinc/49/96/22/897499622.db2.gz VQSLNUCWLMXOTJ-UHFFFAOYSA-N -1 3 377.828 3.513 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2nc3ccc(Br)cn3c2F)s1 ZINC001136371032 897525909 /nfs/dbraw/zinc/52/59/09/897525909.db2.gz APQPTLYZHCFSCU-UHFFFAOYSA-N -1 3 398.261 3.538 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC000820798361 897556612 /nfs/dbraw/zinc/55/66/12/897556612.db2.gz LSYJSXCYKZGLLH-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM Cc1csc([C@@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)n1 ZINC000826320674 897575414 /nfs/dbraw/zinc/57/54/14/897575414.db2.gz ZIHOSVFCSHACEV-LBPRGKRZSA-N -1 3 375.889 3.720 20 0 GHADHM Cc1csc([C@@H]2CCCCN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)n1 ZINC000826320674 897575417 /nfs/dbraw/zinc/57/54/17/897575417.db2.gz ZIHOSVFCSHACEV-LBPRGKRZSA-N -1 3 375.889 3.720 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136384395 897575367 /nfs/dbraw/zinc/57/53/67/897575367.db2.gz IZIIJLZKHCKDCJ-CQSZACIVSA-N -1 3 384.863 3.996 20 0 GHADHM CCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000568227721 897687319 /nfs/dbraw/zinc/68/73/19/897687319.db2.gz AOIVCJYFHWAANR-UHFFFAOYSA-N -1 3 378.469 3.887 20 0 GHADHM CCCCCN(CCCCC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821056396 897694052 /nfs/dbraw/zinc/69/40/52/897694052.db2.gz PVDSWJUSHZFNKZ-UHFFFAOYSA-N -1 3 376.480 3.898 20 0 GHADHM CCCCCN(CCCCC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821056396 897694064 /nfs/dbraw/zinc/69/40/64/897694064.db2.gz PVDSWJUSHZFNKZ-UHFFFAOYSA-N -1 3 376.480 3.898 20 0 GHADHM CSCCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000568304049 897727270 /nfs/dbraw/zinc/72/72/70/897727270.db2.gz VGWPZPATAQENDN-UHFFFAOYSA-N -1 3 386.764 3.914 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cc(Cl)ccc3Cl)n2N)n1 ZINC000132424969 897784277 /nfs/dbraw/zinc/78/42/77/897784277.db2.gz FNEUEPNSWAOOPX-QMMMGPOBSA-N -1 3 397.291 3.623 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2cccc3[nH]ccc32)n1 ZINC000826351066 897933714 /nfs/dbraw/zinc/93/37/14/897933714.db2.gz WDJUXQKCBGXWDV-UHFFFAOYSA-N -1 3 390.838 3.799 20 0 GHADHM Cc1cc(C2CCN(C(=O)c3ccc(-c4ccc(C=O)o4)cc3[O-])CC2)n[nH]1 ZINC000821540936 897947044 /nfs/dbraw/zinc/94/70/44/897947044.db2.gz TXEYRQWLRCQMOK-UHFFFAOYSA-N -1 3 379.416 3.516 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1c[nH]c2cccnc12 ZINC001185929874 914209768 /nfs/dbraw/zinc/20/97/68/914209768.db2.gz MXMOTYOXEVEEMH-UHFFFAOYSA-N -1 3 394.475 3.978 20 0 GHADHM C[C@]1(F)CCN(C(=O)CCCCCCCNC(=O)c2ccccc2[O-])C[C@@H]1F ZINC001185930695 914211656 /nfs/dbraw/zinc/21/16/56/914211656.db2.gz KMUJXENJMOHBHE-RXVVDRJESA-N -1 3 396.478 3.761 20 0 GHADHM Cn1c(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nnc1C(F)F ZINC000826356497 898085393 /nfs/dbraw/zinc/08/53/93/898085393.db2.gz SVUGFZWYCCVGMV-UHFFFAOYSA-N -1 3 399.430 3.892 20 0 GHADHM Cn1c(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nnc1C(F)F ZINC000826356497 898085407 /nfs/dbraw/zinc/08/54/07/898085407.db2.gz SVUGFZWYCCVGMV-UHFFFAOYSA-N -1 3 399.430 3.892 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C=C3CCC3)ccc2C)cc1 ZINC000133074659 898115222 /nfs/dbraw/zinc/11/52/22/898115222.db2.gz PCPGXDYOAODPOB-UHFFFAOYSA-N -1 3 386.473 3.853 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccc(F)c(F)c1 ZINC001170974605 898174834 /nfs/dbraw/zinc/17/48/34/898174834.db2.gz OEFYGJRVNNQHTA-UHFFFAOYSA-N -1 3 386.358 3.510 20 0 GHADHM Cc1nc(C)c(Cc2nc(C3(c4ccc(F)cc4F)CCCC3)no2)c(=O)[n-]1 ZINC000568917071 898210789 /nfs/dbraw/zinc/21/07/89/898210789.db2.gz FEEVQROSGOZLNQ-UHFFFAOYSA-N -1 3 386.402 3.911 20 0 GHADHM Cc1c(NC(=O)c2c[nH]c3ccc(Br)cc23)cccc1-c1nnn[n-]1 ZINC000822103635 898223518 /nfs/dbraw/zinc/22/35/18/898223518.db2.gz JDJZSZYCWYQBBC-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1c(NC(=O)c2c[nH]c3ccc(Br)cc23)cccc1-c1nn[n-]n1 ZINC000822103635 898223539 /nfs/dbraw/zinc/22/35/39/898223539.db2.gz JDJZSZYCWYQBBC-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233672 898261393 /nfs/dbraw/zinc/26/13/93/898261393.db2.gz SPENSIBEHRTTFR-VQTJNVASSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233672 898261411 /nfs/dbraw/zinc/26/14/11/898261411.db2.gz SPENSIBEHRTTFR-VQTJNVASSA-N -1 3 390.491 3.653 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000133297963 898286557 /nfs/dbraw/zinc/28/65/57/898286557.db2.gz PMSBWOJFAOKYNC-QFIPXVFZSA-N -1 3 395.462 3.905 20 0 GHADHM O=C(c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1)N1CCc2ccccc21 ZINC000569202597 898423071 /nfs/dbraw/zinc/42/30/71/898423071.db2.gz KHZRRYFHHLDBEB-UHFFFAOYSA-N -1 3 386.455 3.875 20 0 GHADHM O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(O)cc1[O-] ZINC001136605676 898502846 /nfs/dbraw/zinc/50/28/46/898502846.db2.gz XKIGZYZNQRENJF-UHFFFAOYSA-N -1 3 399.450 3.940 20 0 GHADHM CC(C)C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000133539393 898593332 /nfs/dbraw/zinc/59/33/32/898593332.db2.gz DKRQBNZEVURSFN-KRWDZBQOSA-N -1 3 380.441 3.536 20 0 GHADHM COc1ccc(C2(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)CC2)cc1 ZINC001136626279 898615050 /nfs/dbraw/zinc/61/50/50/898615050.db2.gz TVFOFJNWNFGMRD-UHFFFAOYSA-N -1 3 389.477 3.918 20 0 GHADHM O=C([O-])[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1 ZINC000569479350 898700713 /nfs/dbraw/zinc/70/07/13/898700713.db2.gz BIXNYVBGWCKCEL-KRWDZBQOSA-N -1 3 386.249 3.550 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000110619686 898732428 /nfs/dbraw/zinc/73/24/28/898732428.db2.gz POZSFVVTGKUZMX-ZIAGYGMSSA-N -1 3 398.406 3.819 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CC(F)F)c1cccc(Cl)c1 ZINC000822974629 898768086 /nfs/dbraw/zinc/76/80/86/898768086.db2.gz VHZGYNKCQYLSQG-UHFFFAOYSA-N -1 3 391.809 3.751 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CC(F)F)c1cccc(Cl)c1 ZINC000822974629 898768103 /nfs/dbraw/zinc/76/81/03/898768103.db2.gz VHZGYNKCQYLSQG-UHFFFAOYSA-N -1 3 391.809 3.751 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1Cc2ccccc21 ZINC000823417965 898989786 /nfs/dbraw/zinc/98/97/86/898989786.db2.gz MNPLVNTXXZXRBO-NRFANRHFSA-N -1 3 382.423 3.917 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1Cc2ccccc21 ZINC000823417965 898989792 /nfs/dbraw/zinc/98/97/92/898989792.db2.gz MNPLVNTXXZXRBO-NRFANRHFSA-N -1 3 382.423 3.917 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)c1 ZINC000133817462 899067631 /nfs/dbraw/zinc/06/76/31/899067631.db2.gz OXOMPFWHXQCDDR-UHFFFAOYSA-N -1 3 390.530 3.552 20 0 GHADHM COC(=O)[C@@H](CNC(=O)c1c(C)cccc1[O-])Cc1ccc2ccccc2c1 ZINC001136749071 899129754 /nfs/dbraw/zinc/12/97/54/899129754.db2.gz GIOLOUNXXAGPGZ-LJQANCHMSA-N -1 3 377.440 3.616 20 0 GHADHM C[C@H](NC(=O)CCC(C)(C)c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646199179 914317865 /nfs/dbraw/zinc/31/78/65/914317865.db2.gz QMGSPTVFNDUEGT-HOTGVXAUSA-N -1 3 383.492 3.625 20 0 GHADHM Cc1c([O-])ccc2c(CN3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cc(=O)oc12 ZINC000823629078 899143637 /nfs/dbraw/zinc/14/36/37/899143637.db2.gz FSDLGTWPKUJDMT-UYAOXDASSA-N -1 3 385.847 3.768 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C)c3c1CCCN3)c2=O ZINC000570171999 899172577 /nfs/dbraw/zinc/17/25/77/899172577.db2.gz ZLBXECOAIADEDJ-UHFFFAOYSA-N -1 3 381.407 3.595 20 0 GHADHM c1cc(-c2cccc(CNc3nc(C4CC4)ns3)c2)sc1-c1nnn[n-]1 ZINC000823751523 899231290 /nfs/dbraw/zinc/23/12/90/899231290.db2.gz LFNBASKNUBFHBE-UHFFFAOYSA-N -1 3 381.490 3.936 20 0 GHADHM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000116711825 899303835 /nfs/dbraw/zinc/30/38/35/899303835.db2.gz ZOCGQOYRDYGWDV-XMMPIXPASA-N -1 3 379.547 3.972 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001136800373 899311354 /nfs/dbraw/zinc/31/13/54/899311354.db2.gz UOCYXYPFBCBYKM-UHFFFAOYSA-N -1 3 387.892 3.613 20 0 GHADHM CCc1cc(C(=O)OC)c([N-]C(=O)c2scnc2Br)s1 ZINC000824096992 899373478 /nfs/dbraw/zinc/37/34/78/899373478.db2.gz FZCUPRUNLDECQI-UHFFFAOYSA-N -1 3 375.269 3.568 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824079069 899383354 /nfs/dbraw/zinc/38/33/54/899383354.db2.gz MFVFBEBFUUJLCY-FZMZJTMJSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824079069 899383363 /nfs/dbraw/zinc/38/33/63/899383363.db2.gz MFVFBEBFUUJLCY-FZMZJTMJSA-N -1 3 380.290 3.635 20 0 GHADHM C[C@@](O)(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC001136830978 899437130 /nfs/dbraw/zinc/43/71/30/899437130.db2.gz SRKDDPVNMCOZAB-XMMPIXPASA-N -1 3 375.468 3.815 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000570670155 899493626 /nfs/dbraw/zinc/49/36/26/899493626.db2.gz CBYHSQPGZHDZGH-MRXNPFEDSA-N -1 3 387.885 3.606 20 0 GHADHM CC(C)CCS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824249667 899494184 /nfs/dbraw/zinc/49/41/84/899494184.db2.gz QWKXZYWGVRXANJ-OAHLLOKOSA-N -1 3 399.520 3.560 20 0 GHADHM CC(C)CCS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824249667 899494194 /nfs/dbraw/zinc/49/41/94/899494194.db2.gz QWKXZYWGVRXANJ-OAHLLOKOSA-N -1 3 399.520 3.560 20 0 GHADHM CC(C)c1nc(CN[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000824358541 899553653 /nfs/dbraw/zinc/55/36/53/899553653.db2.gz MUVYYEUSWYGUMP-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1nc(CN[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000824358541 899553664 /nfs/dbraw/zinc/55/36/64/899553664.db2.gz MUVYYEUSWYGUMP-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM C[C@@H](NC(=O)CCc1ccncc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480269 899623793 /nfs/dbraw/zinc/62/37/93/899623793.db2.gz VCIBBRCQMKTHHC-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)CCc1ccncc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480269 899623798 /nfs/dbraw/zinc/62/37/98/899623798.db2.gz VCIBBRCQMKTHHC-MRXNPFEDSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480102 899624241 /nfs/dbraw/zinc/62/42/41/899624241.db2.gz SXHPNECEAUWLRF-NYUWMOHMSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480102 899624247 /nfs/dbraw/zinc/62/42/47/899624247.db2.gz SXHPNECEAUWLRF-NYUWMOHMSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521221 899655134 /nfs/dbraw/zinc/65/51/34/899655134.db2.gz IGEVLXNLXOTBSJ-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521221 899655143 /nfs/dbraw/zinc/65/51/43/899655143.db2.gz IGEVLXNLXOTBSJ-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000824520618 899655370 /nfs/dbraw/zinc/65/53/70/899655370.db2.gz AFQSOONZZFUJRF-CYBMUJFWSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000824520618 899655379 /nfs/dbraw/zinc/65/53/79/899655379.db2.gz AFQSOONZZFUJRF-CYBMUJFWSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824536973 899662933 /nfs/dbraw/zinc/66/29/33/899662933.db2.gz BLESNVMPSMNSKY-UGSOOPFHSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824536973 899662937 /nfs/dbraw/zinc/66/29/37/899662937.db2.gz BLESNVMPSMNSKY-UGSOOPFHSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](NC(=O)NOC1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505920 899675064 /nfs/dbraw/zinc/67/50/64/899675064.db2.gz JWNQUXPIHGVQAV-CQSZACIVSA-N -1 3 392.463 3.768 20 0 GHADHM C[C@@H](NC(=O)NOC1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505920 899675071 /nfs/dbraw/zinc/67/50/71/899675071.db2.gz JWNQUXPIHGVQAV-CQSZACIVSA-N -1 3 392.463 3.768 20 0 GHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1sccc1Br ZINC000824611789 899721761 /nfs/dbraw/zinc/72/17/61/899721761.db2.gz DYLSWJGUIRVAFG-QMMMGPOBSA-N -1 3 382.262 3.681 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)sc1Br ZINC001186237792 914378179 /nfs/dbraw/zinc/37/81/79/914378179.db2.gz VKJFKDUWVYXYMH-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826401640 899800098 /nfs/dbraw/zinc/80/00/98/899800098.db2.gz CXZHEDPNKKPVOH-DVQDXYAYSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826401640 899800110 /nfs/dbraw/zinc/80/01/10/899800110.db2.gz CXZHEDPNKKPVOH-DVQDXYAYSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826401641 899800588 /nfs/dbraw/zinc/80/05/88/899800588.db2.gz CXZHEDPNKKPVOH-MQNTZWLQSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826401641 899800597 /nfs/dbraw/zinc/80/05/97/899800597.db2.gz CXZHEDPNKKPVOH-MQNTZWLQSA-N -1 3 395.850 3.563 20 0 GHADHM Cc1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cccc1NC(=O)N(C)C ZINC000332648705 899825537 /nfs/dbraw/zinc/82/55/37/899825537.db2.gz MWMSPIKLZOORPN-UHFFFAOYSA-N -1 3 383.448 3.760 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCSC2(CCOCC2)C1 ZINC000333084175 899947062 /nfs/dbraw/zinc/94/70/62/899947062.db2.gz REPDMIBOGFCUDI-UHFFFAOYSA-N -1 3 385.485 3.923 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825044387 899949409 /nfs/dbraw/zinc/94/94/09/899949409.db2.gz PNIVLCWUUJVIMY-VIFPVBQESA-N -1 3 387.431 3.671 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825044387 899949414 /nfs/dbraw/zinc/94/94/14/899949414.db2.gz PNIVLCWUUJVIMY-VIFPVBQESA-N -1 3 387.431 3.671 20 0 GHADHM CCC(CC)n1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000825113545 899984633 /nfs/dbraw/zinc/98/46/33/899984633.db2.gz ANIJOJJNRVHTGN-UHFFFAOYSA-N -1 3 393.495 3.538 20 0 GHADHM CCC(CC)n1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000825113545 899984642 /nfs/dbraw/zinc/98/46/42/899984642.db2.gz ANIJOJJNRVHTGN-UHFFFAOYSA-N -1 3 393.495 3.538 20 0 GHADHM CC[C@@H]1C[C@@H](OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825181667 900014382 /nfs/dbraw/zinc/01/43/82/900014382.db2.gz FODBWOWQXBUKRH-CABCVRRESA-N -1 3 378.432 3.648 20 0 GHADHM CC[C@@H]1C[C@@H](OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825181667 900014390 /nfs/dbraw/zinc/01/43/90/900014390.db2.gz FODBWOWQXBUKRH-CABCVRRESA-N -1 3 378.432 3.648 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825297557 900077253 /nfs/dbraw/zinc/07/72/53/900077253.db2.gz AFUSNIRZEYVXBX-QYMJWVLRSA-N -1 3 381.476 3.957 20 0 GHADHM CC(=Cc1ccc(Br)o1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304797 900081918 /nfs/dbraw/zinc/08/19/18/900081918.db2.gz KCDIUAGTHZRRJP-YFHOEESVSA-N -1 3 392.253 3.525 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000572839773 900288785 /nfs/dbraw/zinc/28/87/85/900288785.db2.gz NRENZYDJLNRUFY-HZEGPAAWSA-N -1 3 378.472 3.558 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000843886359 900289273 /nfs/dbraw/zinc/28/92/73/900289273.db2.gz NHGBZYZOYJEFKO-QGZVFWFLSA-N -1 3 384.432 3.799 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000885066153 900379454 /nfs/dbraw/zinc/37/94/54/900379454.db2.gz JQYWLJOMGUNEIM-UHFFFAOYSA-N -1 3 391.427 3.783 20 0 GHADHM O=C(Nc1cc([O-])cc(Cl)c1)[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001143859270 900617139 /nfs/dbraw/zinc/61/71/39/900617139.db2.gz KCMNPTJRBBIFPW-KRWDZBQOSA-N -1 3 381.259 3.711 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CC[C@@H](C2CC2)C1 ZINC000826474614 900855986 /nfs/dbraw/zinc/85/59/86/900855986.db2.gz XSIRVXZUVVJQMC-QGZVFWFLSA-N -1 3 375.432 3.531 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CC[C@@H](C2CC2)C1 ZINC000826474614 900855996 /nfs/dbraw/zinc/85/59/96/900855996.db2.gz XSIRVXZUVVJQMC-QGZVFWFLSA-N -1 3 375.432 3.531 20 0 GHADHM COc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c([O-])c1 ZINC001144049711 900975835 /nfs/dbraw/zinc/97/58/35/900975835.db2.gz NJRCDKAELQQRMK-KRWDZBQOSA-N -1 3 388.895 3.839 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)C1=Cc2ccccc2CC1 ZINC000139284316 901315024 /nfs/dbraw/zinc/31/50/24/901315024.db2.gz AYNZOTRHGAZKGB-UHFFFAOYSA-N -1 3 386.864 3.650 20 0 GHADHM c1ccc2c(c1)cccc2Cc1nnc(NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826522456 901386705 /nfs/dbraw/zinc/38/67/05/901386705.db2.gz BMZVFWBSJJXGGG-UHFFFAOYSA-N -1 3 383.415 3.606 20 0 GHADHM c1ccc2c(c1)cccc2Cc1nnc(NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826522456 901386721 /nfs/dbraw/zinc/38/67/21/901386721.db2.gz BMZVFWBSJJXGGG-UHFFFAOYSA-N -1 3 383.415 3.606 20 0 GHADHM O=C(Nc1cnccc1Nc1ccccc1)c1cc(Br)ccc1[O-] ZINC001144349232 901859235 /nfs/dbraw/zinc/85/92/35/901859235.db2.gz CSINCQSCKMLSKK-UHFFFAOYSA-N -1 3 384.233 3.968 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(N)c(Cl)c2[O-])c(C)c1 ZINC000845193826 901928179 /nfs/dbraw/zinc/92/81/79/901928179.db2.gz LLINWTRHZHKMGD-GFCCVEGCSA-N -1 3 376.840 3.737 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503516 902283920 /nfs/dbraw/zinc/28/39/20/902283920.db2.gz YNTPVQOWIVBQBA-NSHDSACASA-N -1 3 384.263 3.597 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCC(C)C)c(F)c1 ZINC001186524042 914614704 /nfs/dbraw/zinc/61/47/04/914614704.db2.gz GDHKUGHNJYSGLH-RHSMWYFYSA-N -1 3 385.501 3.886 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc2ccccc21 ZINC001144632487 902537399 /nfs/dbraw/zinc/53/73/99/902537399.db2.gz KPGRKTFRBOYUJT-NRFANRHFSA-N -1 3 381.403 3.648 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000846233124 902807505 /nfs/dbraw/zinc/80/75/05/902807505.db2.gz YQBRRPDGDUPDDY-JOCSGSGBSA-N -1 3 395.455 3.772 20 0 GHADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)CCOc1ccccc1Cl ZINC000846233207 902808076 /nfs/dbraw/zinc/80/80/76/902808076.db2.gz BRHRLALFDFMMOK-DHZHZOJOSA-N -1 3 375.852 3.827 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000846244771 902820965 /nfs/dbraw/zinc/82/09/65/902820965.db2.gz VNBZLANKVDFAPA-NHHWLVAYSA-N -1 3 395.455 3.772 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)c([O-])c1 ZINC000264144623 902873672 /nfs/dbraw/zinc/87/36/72/902873672.db2.gz XKOOSODPJPGXLU-UHFFFAOYSA-N -1 3 386.521 3.751 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1C(F)(F)F ZINC000159314034 902879009 /nfs/dbraw/zinc/87/90/09/902879009.db2.gz SJAOPIQYIOTZIT-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1noc(C2([N-]S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)n1 ZINC001186629507 914674971 /nfs/dbraw/zinc/67/49/71/914674971.db2.gz VTIVXYLRDSOYLQ-UHFFFAOYSA-N -1 3 389.864 3.666 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)cc1)N[N-]C(=O)c1ccccc1Cl ZINC000042296631 902992882 /nfs/dbraw/zinc/99/28/82/902992882.db2.gz RIWHMZAWODWFDH-UHFFFAOYSA-N -1 3 385.773 3.546 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(I)c(C)c1 ZINC001186601027 914680744 /nfs/dbraw/zinc/68/07/44/914680744.db2.gz RZEYYFKLXTZWLV-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM Cc1c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cnn1-c1ccc(F)cc1F ZINC000846614102 903092673 /nfs/dbraw/zinc/09/26/73/903092673.db2.gz LEIZDIURCPCNOH-UHFFFAOYSA-N -1 3 387.390 3.639 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1cccc(Br)c1)C1CC1 ZINC000577766262 903166234 /nfs/dbraw/zinc/16/62/34/903166234.db2.gz YBXQAACBQIASEP-UHFFFAOYSA-N -1 3 388.265 3.627 20 0 GHADHM COc1ccc(CCC2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)cc1 ZINC000048360545 903436248 /nfs/dbraw/zinc/43/62/48/903436248.db2.gz DCMWBTSBWQIIGR-UHFFFAOYSA-N -1 3 383.444 3.615 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC001146364195 903523797 /nfs/dbraw/zinc/52/37/97/903523797.db2.gz ZTNSMQMGEHGVSA-UHFFFAOYSA-N -1 3 379.243 3.856 20 0 GHADHM CCCCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1[C@@H](CC)N(C)C ZINC000135065793 903621413 /nfs/dbraw/zinc/62/14/13/903621413.db2.gz CXVDLMJELZYDLS-ZIAGYGMSSA-N -1 3 378.546 3.748 20 0 GHADHM CC[C@@](C)(NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1nc(C)cs1 ZINC001147142749 903717732 /nfs/dbraw/zinc/71/77/32/903717732.db2.gz ZTXCDYNUTHNTSC-GOSISDBHSA-N -1 3 377.416 3.626 20 0 GHADHM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001147372919 903772849 /nfs/dbraw/zinc/77/28/49/903772849.db2.gz NWCTXJWHNCHESY-AWEZNQCLSA-N -1 3 384.819 3.602 20 0 GHADHM CC(C)Sc1c(Cl)cccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000887817932 903951919 /nfs/dbraw/zinc/95/19/19/903951919.db2.gz RKUBURWYBPDWAQ-UHFFFAOYSA-N -1 3 384.914 3.947 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887896546 903989361 /nfs/dbraw/zinc/98/93/61/903989361.db2.gz YIARTCNZKNIYTK-CYBMUJFWSA-N -1 3 397.372 3.679 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(COCc3ccccc3)cc2)c(=O)[n-]1 ZINC000150850843 904032416 /nfs/dbraw/zinc/03/24/16/904032416.db2.gz GDZQHRVWMNMQLU-UHFFFAOYSA-N -1 3 391.471 3.675 20 0 GHADHM COc1ccc(C(=O)NCC(F)(F)c2ccc(Br)cc2)c([O-])c1 ZINC001148477638 904084641 /nfs/dbraw/zinc/08/46/41/904084641.db2.gz BOFMPRAIBMFNNL-UHFFFAOYSA-N -1 3 386.192 3.685 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2Br)n1 ZINC001186728411 914783173 /nfs/dbraw/zinc/78/31/73/914783173.db2.gz JDPQCHLWUKXCKK-ZETCQYMHSA-N -1 3 397.266 3.532 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccnc2)ccc1[O-] ZINC001148656852 904160585 /nfs/dbraw/zinc/16/05/85/904160585.db2.gz AXHVHXAIHZYTCJ-UHFFFAOYSA-N -1 3 378.432 3.725 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148661895 904162161 /nfs/dbraw/zinc/16/21/61/904162161.db2.gz FSXXDAHYOUGINW-PMACEKPBSA-N -1 3 395.455 3.894 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](COc2ccccc2F)C(C)(C)C)s1 ZINC001186799242 914812560 /nfs/dbraw/zinc/81/25/60/914812560.db2.gz DEZZMYINDOYEMG-CQSZACIVSA-N -1 3 386.514 3.617 20 0 GHADHM CCOCCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000773144386 904483201 /nfs/dbraw/zinc/48/32/01/904483201.db2.gz INWWZEUPZOLCQQ-UHFFFAOYSA-N -1 3 399.878 3.820 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)o1 ZINC000773326412 904715409 /nfs/dbraw/zinc/71/54/09/904715409.db2.gz USEIXIKKRCXVJF-AWEZNQCLSA-N -1 3 394.493 3.652 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646784741 914848126 /nfs/dbraw/zinc/84/81/26/914848126.db2.gz CPWKLNULFZACKP-CHWSQXEVSA-N -1 3 386.414 3.568 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)Nc1cccc2ccccc21 ZINC001186885235 914853588 /nfs/dbraw/zinc/85/35/88/914853588.db2.gz MBACSFLOYLSWJI-SFHVURJKSA-N -1 3 386.473 3.765 20 0 GHADHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C)c1[N+](=O)[O-] ZINC000189224312 905046043 /nfs/dbraw/zinc/04/60/43/905046043.db2.gz NZJSYXLPBFNOPX-UHFFFAOYSA-N -1 3 385.785 3.574 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)Nc1ccc2ccccc2c1 ZINC001186867690 914875188 /nfs/dbraw/zinc/87/51/88/914875188.db2.gz AFWZPIOQSIEYLD-SFHVURJKSA-N -1 3 386.473 3.765 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000175716897 905644406 /nfs/dbraw/zinc/64/44/06/905644406.db2.gz GTGMSDZZAGMDCL-JSGCOSHPSA-N -1 3 375.900 3.623 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000628739149 906282983 /nfs/dbraw/zinc/28/29/83/906282983.db2.gz XIDXAOCBFZVTBR-NRFANRHFSA-N -1 3 383.469 3.754 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000628758470 906296660 /nfs/dbraw/zinc/29/66/60/906296660.db2.gz APAFCLSTEFVVKW-AWEZNQCLSA-N -1 3 377.435 3.784 20 0 GHADHM CCC(F)(F)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000628841168 906333819 /nfs/dbraw/zinc/33/38/19/906333819.db2.gz LIRAYOFPGIFTNW-UHFFFAOYSA-N -1 3 393.615 3.719 20 0 GHADHM O=C(N[N-]C(=O)c1ccc(Cl)cc1Cl)N[C@H]1CCOc2c(F)cccc21 ZINC000190999099 906519644 /nfs/dbraw/zinc/51/96/44/906519644.db2.gz QTBCLJZDYCAMSA-AWEZNQCLSA-N -1 3 398.221 3.600 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(NC=Cc3ccccc3)c2)ccc1O ZINC001173874130 906726584 /nfs/dbraw/zinc/72/65/84/906726584.db2.gz OAAWRNFLVGONOT-ZHACJKMWSA-N -1 3 382.441 3.596 20 0 GHADHM CCc1ccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000191324752 906875283 /nfs/dbraw/zinc/87/52/83/906875283.db2.gz KCBPYZRERPPTKQ-CQSZACIVSA-N -1 3 376.497 3.720 20 0 GHADHM O=C(NCc1ccco1)c1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001174197132 906889748 /nfs/dbraw/zinc/88/97/48/906889748.db2.gz HIEMOMWSSZURGB-UHFFFAOYSA-N -1 3 388.221 3.816 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1Cl ZINC001174300565 906946505 /nfs/dbraw/zinc/94/65/05/906946505.db2.gz GXCPDHQVXKMNHA-UHFFFAOYSA-N -1 3 383.260 3.562 20 0 GHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(CN2CCOCC2)cc1 ZINC001174448671 907056168 /nfs/dbraw/zinc/05/61/68/907056168.db2.gz REIJOMQUYXLFHH-UHFFFAOYSA-N -1 3 381.245 3.870 20 0 GHADHM COc1ccc(N[C@H](C)c2cccc(OC(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000182731942 907257286 /nfs/dbraw/zinc/25/72/86/907257286.db2.gz OLRFARZQQPBLKD-LLVKDONJSA-N -1 3 386.420 3.841 20 0 GHADHM [O-]c1ccc(F)c(Nc2cnc(Br)c(Br)n2)c1F ZINC001175266336 907476294 /nfs/dbraw/zinc/47/62/94/907476294.db2.gz USILKLQWWXSTEJ-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM Nc1ccc(S(=O)(=O)c2ccc(Nc3c(F)ccc([O-])c3F)cc2)cc1 ZINC001175268415 907479933 /nfs/dbraw/zinc/47/99/33/907479933.db2.gz MQLQHPCAQJPSMU-UHFFFAOYSA-N -1 3 376.384 3.829 20 0 GHADHM O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1cc([O-])ccc1Cl ZINC001175365960 907520876 /nfs/dbraw/zinc/52/08/76/907520876.db2.gz QFAUAQCVBUSQDA-VNQPRFMTSA-N -1 3 378.653 3.876 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000184923302 907680290 /nfs/dbraw/zinc/68/02/90/907680290.db2.gz VSTKEDOBLINZES-KDOFPFPSSA-N -1 3 383.448 3.736 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000299467543 921350451 /nfs/dbraw/zinc/35/04/51/921350451.db2.gz ARCSPGOJUURRKM-OAQYLSRUSA-N -1 3 388.471 3.753 20 0 GHADHM O=c1cc(CN2CCc3cc(F)c(Br)cc3C2)nc(C2CC2)[n-]1 ZINC001176453018 908117065 /nfs/dbraw/zinc/11/70/65/908117065.db2.gz PKGZRIPSKFJKCL-UHFFFAOYSA-N -1 3 378.245 3.520 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c([O-])c1 ZINC001176967486 908336099 /nfs/dbraw/zinc/33/60/99/908336099.db2.gz NVVOOBJKHNXBEH-INIZCTEOSA-N -1 3 397.475 3.598 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(c2ccc(F)cc2F)CCOCC1 ZINC000192788663 908824492 /nfs/dbraw/zinc/82/44/92/908824492.db2.gz CXMKOHOJQZUOGW-UHFFFAOYSA-N -1 3 382.357 3.582 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777488529 908906572 /nfs/dbraw/zinc/90/65/72/908906572.db2.gz ALGQCGVGDDYMHD-XMMPIXPASA-N -1 3 391.442 3.856 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000779857877 909051133 /nfs/dbraw/zinc/05/11/33/909051133.db2.gz PMDRYNSDMZNXJS-UHFFFAOYSA-N -1 3 397.219 3.604 20 0 GHADHM O=C([O-])CCCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000635018174 909103197 /nfs/dbraw/zinc/10/31/97/909103197.db2.gz LSOAZMVCGMINIP-UHFFFAOYSA-N -1 3 382.504 3.638 20 0 GHADHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266434566 909157252 /nfs/dbraw/zinc/15/72/52/909157252.db2.gz TXDCLYSHYWXXHG-UHFFFAOYSA-N -1 3 390.487 3.714 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@@](C)(OC)c1cccc2ccccc21 ZINC001178680315 909181204 /nfs/dbraw/zinc/18/12/04/909181204.db2.gz RCPNBJIEODTLNO-QFIPXVFZSA-N -1 3 397.402 3.971 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182720 909398645 /nfs/dbraw/zinc/39/86/45/909398645.db2.gz IKOPJDSMIQHCNM-YUMQZZPRSA-N -1 3 391.191 3.567 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183947 909399648 /nfs/dbraw/zinc/39/96/48/909399648.db2.gz YXCCESIZBLPJSA-RKDXNWHRSA-N -1 3 394.319 3.898 20 0 GHADHM C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183903 909399992 /nfs/dbraw/zinc/39/99/92/909399992.db2.gz YNFJVKHVBFJYPH-MRVPVSSYSA-N -1 3 380.292 3.809 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000267251329 909428440 /nfs/dbraw/zinc/42/84/40/909428440.db2.gz ZJXSVAMKORFAHM-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n1 ZINC000636115883 909438122 /nfs/dbraw/zinc/43/81/22/909438122.db2.gz VXJQYCZOGCQVCJ-STQMWFEESA-N -1 3 395.381 3.544 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Br)ccc1Cl ZINC000636317206 909533920 /nfs/dbraw/zinc/53/39/20/909533920.db2.gz BVBMRGMMSBXOLM-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318256 909535358 /nfs/dbraw/zinc/53/53/58/909535358.db2.gz RRXXSTCECYSTSE-JLSDUUJJSA-N -1 3 375.513 3.543 20 0 GHADHM COc1cc2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc2cc1OC ZINC000636321110 909541441 /nfs/dbraw/zinc/54/14/41/909541441.db2.gz CMSKXKANQPMTDT-UHFFFAOYSA-N -1 3 393.443 3.550 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320980 909541791 /nfs/dbraw/zinc/54/17/91/909541791.db2.gz OLTWBSGGGZAABJ-UHFFFAOYSA-N -1 3 377.444 3.688 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H](c1cccnc1)C1CCCCC1 ZINC000636321108 909542146 /nfs/dbraw/zinc/54/21/46/909542146.db2.gz CMGLWDPQNFWFDX-FQEVSTJZSA-N -1 3 380.492 3.825 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cnn(-c2ccccc2)c1C(F)F ZINC000636358637 909561213 /nfs/dbraw/zinc/56/12/13/909561213.db2.gz JQXQGOLMQYNKPR-LBPRGKRZSA-N -1 3 391.403 3.765 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)cc2O1 ZINC001179954935 909863713 /nfs/dbraw/zinc/86/37/13/909863713.db2.gz OXDHVMGWIANWLU-UHFFFAOYSA-N -1 3 391.427 3.733 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)cc2O1 ZINC001179954935 909863722 /nfs/dbraw/zinc/86/37/22/909863722.db2.gz OXDHVMGWIANWLU-UHFFFAOYSA-N -1 3 391.427 3.733 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1Cl ZINC001180222914 910023597 /nfs/dbraw/zinc/02/35/97/910023597.db2.gz ZAGPHKHHBBCHSZ-RBSFLKMASA-N -1 3 389.883 3.754 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@H](C)c1ccccc1 ZINC000299652283 921549217 /nfs/dbraw/zinc/54/92/17/921549217.db2.gz WDIHBUFAIKTVQM-INIZCTEOSA-N -1 3 390.487 3.795 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3C[C@]3(C)Br)n[n-]2)cc1 ZINC001180844477 910376603 /nfs/dbraw/zinc/37/66/03/910376603.db2.gz UZONENNCASVVPB-ABAIWWIYSA-N -1 3 381.299 3.517 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001181173325 910585372 /nfs/dbraw/zinc/58/53/72/910585372.db2.gz DRWBQISBQSKADU-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001181173325 910585384 /nfs/dbraw/zinc/58/53/84/910585384.db2.gz DRWBQISBQSKADU-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271310385 910856501 /nfs/dbraw/zinc/85/65/01/910856501.db2.gz LRCMYLIINIBNFP-UHFFFAOYSA-N -1 3 398.244 3.663 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1C ZINC000271363920 910876019 /nfs/dbraw/zinc/87/60/19/910876019.db2.gz YTPJDTWUOINTOM-UHFFFAOYSA-N -1 3 388.489 3.859 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@H]1CCCCC(F)(F)C1 ZINC000640298939 910958766 /nfs/dbraw/zinc/95/87/66/910958766.db2.gz QZIFOHPRJGLNJB-VIFPVBQESA-N -1 3 388.768 3.858 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)c1C ZINC000640309519 910964003 /nfs/dbraw/zinc/96/40/03/910964003.db2.gz JUVLIKPYFRTLNM-HNNXBMFYSA-N -1 3 377.286 3.590 20 0 GHADHM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2sccc2c([O-])c1 ZINC000773959315 911102079 /nfs/dbraw/zinc/10/20/79/911102079.db2.gz VYBNQJLVTWDASZ-UHFFFAOYSA-N -1 3 385.441 3.624 20 0 GHADHM CC(=O)CCCc1cn(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)nn1 ZINC000640858854 911222799 /nfs/dbraw/zinc/22/27/99/911222799.db2.gz YXBOYOYTRCKDFN-UHFFFAOYSA-N -1 3 393.472 3.615 20 0 GHADHM Cn1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(C(F)F)n1 ZINC000274486911 911348021 /nfs/dbraw/zinc/34/80/21/911348021.db2.gz NZLQNMWIVBQJLZ-UHFFFAOYSA-N -1 3 398.841 3.567 20 0 GHADHM CCCCOc1ccc(C(=O)NCCCN(CC)C(=O)OC(C)(C)C)c([O-])c1 ZINC001182311388 911469665 /nfs/dbraw/zinc/46/96/65/911469665.db2.gz OUTGRYPHXTVXOH-UHFFFAOYSA-N -1 3 394.512 3.948 20 0 GHADHM O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000642323290 911982322 /nfs/dbraw/zinc/98/23/22/911982322.db2.gz CZXQZJDYPZCUNY-UHFFFAOYSA-N -1 3 398.301 3.505 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nc3c(s2)CCCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000901894534 921708533 /nfs/dbraw/zinc/70/85/33/921708533.db2.gz TYMDJULXXHEWDR-LSDHHAIUSA-N -1 3 376.909 3.976 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000642372652 912027387 /nfs/dbraw/zinc/02/73/87/912027387.db2.gz XIRNQKZOULPULE-UHFFFAOYSA-N -1 3 392.434 3.620 20 0 GHADHM O=C([N-]Cc1cc(-c2ccc3c(c2)OCO3)no1)C(F)(F)c1ccc(F)cc1 ZINC001182890049 912118362 /nfs/dbraw/zinc/11/83/62/912118362.db2.gz JVKKZRASTSXVBL-UHFFFAOYSA-N -1 3 390.317 3.618 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775066302 914921943 /nfs/dbraw/zinc/92/19/43/914921943.db2.gz AHZSLKMBXSFCAU-HNNXBMFYSA-N -1 3 393.846 3.620 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1c(F)cccc1F ZINC001187172877 915093572 /nfs/dbraw/zinc/09/35/72/915093572.db2.gz RFDBJISFXDQFFS-JTQLQIEISA-N -1 3 391.852 3.757 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001187278269 915144462 /nfs/dbraw/zinc/14/44/62/915144462.db2.gz WNGRQJAETDKBIC-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647375004 915190215 /nfs/dbraw/zinc/19/02/15/915190215.db2.gz QAPBQZKGNRQLJQ-LJQANCHMSA-N -1 3 386.536 3.834 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)on1 ZINC001187516990 915327816 /nfs/dbraw/zinc/32/78/16/915327816.db2.gz RFLHEDOPDLGMRN-UHFFFAOYSA-N -1 3 383.857 3.851 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CC[C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC001187779142 915490879 /nfs/dbraw/zinc/49/08/79/915490879.db2.gz QRKKYMRWXPOCFL-JTQLQIEISA-N -1 3 394.440 3.643 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)NCc2ccc3sccc3c2)C1)C(F)(F)F ZINC000292064602 915500111 /nfs/dbraw/zinc/50/01/11/915500111.db2.gz SINYCZQUBVMJQF-CYBMUJFWSA-N -1 3 399.438 3.501 20 0 GHADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3[n-]nnc3C(F)(F)F)cc2)n1 ZINC001187763973 915511117 /nfs/dbraw/zinc/51/11/17/915511117.db2.gz SRGJSPVTCXEKAX-UHFFFAOYSA-N -1 3 394.382 3.634 20 0 GHADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3nn[n-]c3C(F)(F)F)cc2)n1 ZINC001187763973 915511126 /nfs/dbraw/zinc/51/11/26/915511126.db2.gz SRGJSPVTCXEKAX-UHFFFAOYSA-N -1 3 394.382 3.634 20 0 GHADHM Cc1nc2cc(Br)cc([N-]C(=O)c3snnc3C3CC3)c2o1 ZINC000292200545 915557956 /nfs/dbraw/zinc/55/79/56/915557956.db2.gz HMEMITDPQIFFQV-UHFFFAOYSA-N -1 3 379.239 3.880 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1c(C)cccc1C ZINC001187990042 915668545 /nfs/dbraw/zinc/66/85/45/915668545.db2.gz CKQAFFUJDNIHKM-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2ccccc2F)[nH]n1 ZINC001188021500 915712914 /nfs/dbraw/zinc/71/29/14/915712914.db2.gz JMIFQAKUNNNIGW-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM O=S(=O)([N-]c1c(F)cc(Br)cc1C(F)(F)F)C1CCC1 ZINC001188137994 915775404 /nfs/dbraw/zinc/77/54/04/915775404.db2.gz OCIOATGAUXTTEE-UHFFFAOYSA-N -1 3 376.169 3.901 20 0 GHADHM CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188195856 915805349 /nfs/dbraw/zinc/80/53/49/915805349.db2.gz HAUUUJLHYJJWJY-GFCCVEGCSA-N -1 3 399.944 3.541 20 0 GHADHM COCCOc1ccc(CNC(=O)c2c(C)cccc2[O-])cc1C(F)(F)F ZINC001188658267 916082416 /nfs/dbraw/zinc/08/24/16/916082416.db2.gz DSRSBGKQOUMECC-UHFFFAOYSA-N -1 3 383.366 3.675 20 0 GHADHM COC[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCOC1 ZINC000649257823 916084537 /nfs/dbraw/zinc/08/45/37/916084537.db2.gz XQSNHULKRLCSCQ-HXUWFJFHSA-N -1 3 384.457 3.661 20 0 GHADHM O=S(=O)([N-]c1ncc(O)cc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188722557 916154602 /nfs/dbraw/zinc/15/46/02/916154602.db2.gz RDDDKMPDUMKNTC-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](C)[C@@H]1OC ZINC001188731572 916163277 /nfs/dbraw/zinc/16/32/77/916163277.db2.gz DIOCPFLRJNWGEZ-KMUNFCNLSA-N -1 3 397.434 3.963 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001189010122 916338506 /nfs/dbraw/zinc/33/85/06/916338506.db2.gz GRFBIBPDBOGAPT-ZDUSSCGKSA-N -1 3 383.872 3.886 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1C ZINC001189079587 916393439 /nfs/dbraw/zinc/39/34/39/916393439.db2.gz GKMADRGMNOMMON-HNNXBMFYSA-N -1 3 393.427 3.571 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cn2cnc3ccccc32)cc1 ZINC001189148858 916432895 /nfs/dbraw/zinc/43/28/95/916432895.db2.gz NPOPMMSYYZJSFH-UHFFFAOYSA-N -1 3 395.426 3.517 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cn2cnc3ccccc32)cc1 ZINC001189148858 916432904 /nfs/dbraw/zinc/43/29/04/916432904.db2.gz NPOPMMSYYZJSFH-UHFFFAOYSA-N -1 3 395.426 3.517 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(-c3cn[nH]c3)c2)c([O-])c1 ZINC001189249208 916496062 /nfs/dbraw/zinc/49/60/62/916496062.db2.gz CHIVCVUVCHEJHY-UHFFFAOYSA-N -1 3 379.416 3.990 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cnc(Br)c(Cl)c1 ZINC001189274696 916531275 /nfs/dbraw/zinc/53/12/75/916531275.db2.gz MXVRHWNURFTYPM-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cccc(OC(F)(F)F)c1F ZINC001189317465 916548394 /nfs/dbraw/zinc/54/83/94/916548394.db2.gz HIBDVBAHQAEVTG-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)CC1 ZINC001189320415 916551261 /nfs/dbraw/zinc/55/12/61/916551261.db2.gz HYRDZYKMFJAVGY-CHWSQXEVSA-N -1 3 381.519 3.935 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(F)c2ccccc21 ZINC001189357022 916594773 /nfs/dbraw/zinc/59/47/73/916594773.db2.gz PXTBAVSLUAPWNJ-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM CC(C)Oc1c(F)cc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1F ZINC001189464202 916667773 /nfs/dbraw/zinc/66/77/73/916667773.db2.gz YJEREXSMSFFIRP-UHFFFAOYSA-N -1 3 377.359 3.972 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cccc(C)c1C ZINC001189499689 916681416 /nfs/dbraw/zinc/68/14/16/916681416.db2.gz WDEKBZHUUFCXFA-NRFANRHFSA-N -1 3 399.512 3.814 20 0 GHADHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3F)ccc21 ZINC000650217959 916807109 /nfs/dbraw/zinc/80/71/09/916807109.db2.gz HZEQRFNOENNXIO-UHFFFAOYSA-N -1 3 398.406 3.863 20 0 GHADHM CCOC(=O)c1cc(C)c([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(C)c1 ZINC001189691224 916831772 /nfs/dbraw/zinc/83/17/72/916831772.db2.gz PRZYYFRPDGMHSQ-UHFFFAOYSA-N -1 3 383.416 3.700 20 0 GHADHM O=C(Nc1ccc(Br)nc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189748814 916871037 /nfs/dbraw/zinc/87/10/37/916871037.db2.gz LSKYGQIVVBCSAT-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM COC(=O)c1cc(C)c(C)c(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c1 ZINC001189766633 916901497 /nfs/dbraw/zinc/90/14/97/916901497.db2.gz MLKDKKOMHJRPHI-UHFFFAOYSA-N -1 3 383.322 3.947 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3cc(C)nn3C(=O)OC(C)(C)C)no2)c1 ZINC001189976657 917004120 /nfs/dbraw/zinc/00/41/20/917004120.db2.gz YCAWLXAAUYRVHD-UHFFFAOYSA-N -1 3 398.419 3.891 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CN1CCCC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000650505491 917044081 /nfs/dbraw/zinc/04/40/81/917044081.db2.gz FVSJNQKMHWNVCH-ZWKOTPCHSA-N -1 3 378.488 3.748 20 0 GHADHM CC1(C)C[C@H](C2([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC2)CCO1 ZINC001190348049 917277575 /nfs/dbraw/zinc/27/75/75/917277575.db2.gz LUDXGOQXPQQHEB-GFCCVEGCSA-N -1 3 395.418 3.861 20 0 GHADHM CC(C)(CC1CCOCC1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190350680 917278799 /nfs/dbraw/zinc/27/87/99/917278799.db2.gz QVULCDYYQDRBSF-UHFFFAOYSA-N -1 3 383.407 3.718 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1(Cl)Cl ZINC001190428218 917333144 /nfs/dbraw/zinc/33/31/44/917333144.db2.gz GCJJGLJBYWHSDJ-ZDUSSCGKSA-N -1 3 397.686 3.890 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)cc1 ZINC001190448737 917351173 /nfs/dbraw/zinc/35/11/73/917351173.db2.gz YPZUGMGTCGGXDX-UHFFFAOYSA-N -1 3 390.549 3.994 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000650946284 917352713 /nfs/dbraw/zinc/35/27/13/917352713.db2.gz NFGBOINFFYMZGG-LBPRGKRZSA-N -1 3 395.297 3.583 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190469974 917364588 /nfs/dbraw/zinc/36/45/88/917364588.db2.gz YUZXRTQQWHFUKY-UHFFFAOYSA-N -1 3 383.267 3.531 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c(=O)[n-]1 ZINC000295671389 917412652 /nfs/dbraw/zinc/41/26/52/917412652.db2.gz UIOODLZAKPCZFL-HNNXBMFYSA-N -1 3 379.382 3.814 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC001190601686 917441185 /nfs/dbraw/zinc/44/11/85/917441185.db2.gz CAGIOQCEPVPPFN-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1c2ncsc2ccc1Cl ZINC001190665129 917454912 /nfs/dbraw/zinc/45/49/12/917454912.db2.gz WEBHFGITCHBWIF-GFCCVEGCSA-N -1 3 380.878 3.621 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651264956 917557550 /nfs/dbraw/zinc/55/75/50/917557550.db2.gz VCXQOCVKAPFDGL-STQMWFEESA-N -1 3 390.427 3.842 20 0 GHADHM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC001191073822 917738992 /nfs/dbraw/zinc/73/89/92/917738992.db2.gz SKAGOGNLZYKDLV-CYBMUJFWSA-N -1 3 383.460 3.829 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cnn(-c4ccccc4)c3)c2)n1 ZINC000363089280 917753994 /nfs/dbraw/zinc/75/39/94/917753994.db2.gz BTISKRNBGORSMK-UHFFFAOYSA-N -1 3 399.454 3.779 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC001191304536 917907057 /nfs/dbraw/zinc/90/70/57/917907057.db2.gz KRYZBOZMLRYGRM-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(F)c1F ZINC001191364710 917966510 /nfs/dbraw/zinc/96/65/10/917966510.db2.gz LSWZCDZWYOTSOJ-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(C)(C)N=c1[n-]nc([C@@H]2CCCO[C@H]2c2ccccc2)n1C[C@H]1CCOC1 ZINC000652687929 917979437 /nfs/dbraw/zinc/97/94/37/917979437.db2.gz PVYKGJXNLIYITP-QRQLOZEOSA-N -1 3 384.524 3.582 20 0 GHADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001191476578 918011433 /nfs/dbraw/zinc/01/14/33/918011433.db2.gz RZILVAIKJRQXSH-KUNJGFBQSA-N -1 3 381.501 3.780 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cncc(-c3cccs3)c2)n[n-]1)c1ccccc1 ZINC001191817977 918212660 /nfs/dbraw/zinc/21/26/60/918212660.db2.gz ZTGATASCHFBKSQ-UHFFFAOYSA-N -1 3 389.440 3.606 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC)nc3Cl)ccc2c1 ZINC001191939984 918309611 /nfs/dbraw/zinc/30/96/11/918309611.db2.gz GGMYWXBRRAFTNZ-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC001192165482 918458102 /nfs/dbraw/zinc/45/81/02/918458102.db2.gz QJTFOFCBTLAFSL-UHFFFAOYSA-N -1 3 396.374 3.544 20 0 GHADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000654578322 919215519 /nfs/dbraw/zinc/21/55/19/919215519.db2.gz YJSPDPWZFBSGFW-UHFFFAOYSA-N -1 3 391.353 3.849 20 0 GHADHM CCc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)s1 ZINC000117595469 919547930 /nfs/dbraw/zinc/54/79/30/919547930.db2.gz PBERHHATOMJDSW-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000119404195 919629515 /nfs/dbraw/zinc/62/95/15/919629515.db2.gz OBLSOJANYBAEBM-UHFFFAOYSA-N -1 3 378.469 3.772 20 0 GHADHM COc1ccc(Nc2nc(COC(=O)c3cc(F)cc4[n-]nnc43)cs2)cc1 ZINC000800261166 919798311 /nfs/dbraw/zinc/79/83/11/919798311.db2.gz PZMMOOUWBMCQEW-UHFFFAOYSA-N -1 3 399.407 3.663 20 0 GHADHM COc1ccc(Nc2nc(COC(=O)c3cc(F)cc4nn[n-]c43)cs2)cc1 ZINC000800261166 919798330 /nfs/dbraw/zinc/79/83/30/919798330.db2.gz PZMMOOUWBMCQEW-UHFFFAOYSA-N -1 3 399.407 3.663 20 0 GHADHM COc1ccc(Nc2nc(COC(=O)c3cc(F)cc4n[n-]nc43)cs2)cc1 ZINC000800261166 919798348 /nfs/dbraw/zinc/79/83/48/919798348.db2.gz PZMMOOUWBMCQEW-UHFFFAOYSA-N -1 3 399.407 3.663 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000800262272 919801278 /nfs/dbraw/zinc/80/12/78/919801278.db2.gz HSSWDUDVIXQFNE-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000800262272 919801290 /nfs/dbraw/zinc/80/12/90/919801290.db2.gz HSSWDUDVIXQFNE-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000800262272 919801317 /nfs/dbraw/zinc/80/13/17/919801317.db2.gz HSSWDUDVIXQFNE-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073937 919805307 /nfs/dbraw/zinc/80/53/07/919805307.db2.gz OCMRCJNCJRUSGH-FWLQQBITSA-N -1 3 377.391 3.711 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(O)c1 ZINC000800648555 920335679 /nfs/dbraw/zinc/33/56/79/920335679.db2.gz YMMPPWPLVUNTBE-QGZVFWFLSA-N -1 3 382.460 3.639 20 0 GHADHM O=c1nc(CN2CCC(n3cccn3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000365162603 920452314 /nfs/dbraw/zinc/45/23/14/920452314.db2.gz MNRFBCYWWBABBN-UHFFFAOYSA-N -1 3 381.461 3.691 20 0 GHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800931571 920616693 /nfs/dbraw/zinc/61/66/93/920616693.db2.gz USGRNHMHHXKAEV-UHFFFAOYSA-N -1 3 392.908 3.640 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000366990824 921862553 /nfs/dbraw/zinc/86/25/53/921862553.db2.gz PTRIRGQLPSMVED-UHFFFAOYSA-N -1 3 391.874 3.872 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000902144381 921915928 /nfs/dbraw/zinc/91/59/28/921915928.db2.gz NUAVRRCGXRZSQW-HOTGVXAUSA-N -1 3 384.476 3.813 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@H]2CCCCS2)cc(C(F)(F)F)c1 ZINC000802926004 922532471 /nfs/dbraw/zinc/53/24/71/922532471.db2.gz LUZYCUOZOCZIFK-CYBMUJFWSA-N -1 3 397.440 3.519 20 0 GHADHM C[C@@H](O)CC(C)(C)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902876813 922575071 /nfs/dbraw/zinc/57/50/71/922575071.db2.gz UMEFRQCFAZQXGN-MRVPVSSYSA-N -1 3 388.764 3.759 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc2cccc(Br)c21 ZINC000803121967 922713962 /nfs/dbraw/zinc/71/39/62/922713962.db2.gz QZUMTIKPCTVMGY-UHFFFAOYSA-N -1 3 399.170 3.669 20 0 GHADHM CC1(C)CC[C@H](COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)O1 ZINC000803282326 922853807 /nfs/dbraw/zinc/85/38/07/922853807.db2.gz INZYULUHYKFRDV-WOJBJXKFSA-N -1 3 397.471 3.754 20 0 GHADHM Cn1ccc([C@H](NC(=O)NCc2ccc([O-])c(F)c2)c2ccc(Cl)cc2)n1 ZINC000368856316 922925524 /nfs/dbraw/zinc/92/55/24/922925524.db2.gz OEBNANLPMALMPV-GOSISDBHSA-N -1 3 388.830 3.507 20 0 GHADHM O=C(OCCF)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000803482771 923032403 /nfs/dbraw/zinc/03/24/03/923032403.db2.gz BQXINZWYNHXZDD-UHFFFAOYSA-N -1 3 392.235 3.921 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4cc(CO)ccc4F)CC3)c2c1 ZINC000903635051 923142844 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CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000677288244 924313932 /nfs/dbraw/zinc/31/39/32/924313932.db2.gz BBJHYGIWQFWAHR-MRXNPFEDSA-N -1 3 377.444 3.852 20 0 GHADHM CCOC(=O)N1[C@@H](C(=O)Nc2cccc([O-])c2F)CC[C@@H]1c1ccc(C)o1 ZINC000371305963 924517186 /nfs/dbraw/zinc/51/71/86/924517186.db2.gz QJFCZKJXENODQA-ZIAGYGMSSA-N -1 3 376.384 3.733 20 0 GHADHM Cn1cc2c(n1)CCC[C@H]2C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000409622302 924818159 /nfs/dbraw/zinc/81/81/59/924818159.db2.gz DAFIXCIEGROFLL-CYBMUJFWSA-N -1 3 390.274 3.598 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678675803 924882627 /nfs/dbraw/zinc/88/26/27/924882627.db2.gz USTMFDHQHWYKNA-LSDHHAIUSA-N -1 3 397.313 3.503 20 0 GHADHM Cc1ccc(CCS(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000410146075 925347737 /nfs/dbraw/zinc/34/77/37/925347737.db2.gz SQHKKIGOKNTJCS-HNNXBMFYSA-N -1 3 377.510 3.649 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680108088 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385.835 3.844 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC1CCCC1 ZINC000751975026 928523319 /nfs/dbraw/zinc/52/33/19/928523319.db2.gz AWKCHWMDCZEKII-VIFPVBQESA-N -1 3 399.818 3.511 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H](C)c1ccccc1 ZINC000752408721 928814936 /nfs/dbraw/zinc/81/49/36/928814936.db2.gz PEEOUGOMVRJXFA-OAHLLOKOSA-N -1 3 392.496 3.737 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000752630101 928937307 /nfs/dbraw/zinc/93/73/07/928937307.db2.gz IQLNACPUHKMUGM-LSDHHAIUSA-N -1 3 376.497 3.891 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c(=O)[n-]1 ZINC000544243115 928970197 /nfs/dbraw/zinc/97/01/97/928970197.db2.gz CZZUXLUPWJYXRG-LJQANCHMSA-N -1 3 398.413 3.552 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cccc(Br)c1F ZINC000544370979 929100071 /nfs/dbraw/zinc/10/00/71/929100071.db2.gz MCZYREKOSOBOBW-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1ccc([C@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000753022884 929162886 /nfs/dbraw/zinc/16/28/86/929162886.db2.gz YUUVJUWIBIJPFG-FQEVSTJZSA-N -1 3 386.448 3.720 20 0 GHADHM O=C(Cc1coc(-c2ccc(F)cc2)n1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467710768 929325108 /nfs/dbraw/zinc/32/51/08/929325108.db2.gz MSXRBYPCTLRVSL-UHFFFAOYSA-N -1 3 398.344 3.752 20 0 GHADHM O=C(CCc1cnn(-c2ccccc2)c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715109 929330158 /nfs/dbraw/zinc/33/01/58/929330158.db2.gz TYQVOSAKWCYWPI-UHFFFAOYSA-N -1 3 393.397 3.534 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)n1 ZINC000467723969 929341258 /nfs/dbraw/zinc/34/12/58/929341258.db2.gz QODBIPKVHHFRHY-UHFFFAOYSA-N -1 3 377.782 3.596 20 0 GHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000467776045 929399244 /nfs/dbraw/zinc/39/92/44/929399244.db2.gz GWCGYIWAQWUVSJ-UHFFFAOYSA-N -1 3 380.322 3.621 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1cc(C(F)(F)F)ccc1F ZINC000467789636 929422698 /nfs/dbraw/zinc/42/26/98/929422698.db2.gz UPSJQWPAYGLTNH-ZIAGYGMSSA-N -1 3 391.390 3.503 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000467925466 929599033 /nfs/dbraw/zinc/59/90/33/929599033.db2.gz AYAHBHSQOBMAES-MUUNZHRXSA-N -1 3 395.484 3.558 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000469171917 929652134 /nfs/dbraw/zinc/65/21/34/929652134.db2.gz CXQAHFHKTOODAZ-UHFFFAOYSA-N -1 3 390.886 3.852 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000757673040 929767426 /nfs/dbraw/zinc/76/74/26/929767426.db2.gz WSXFNXHILZPLKJ-RYUDHWBXSA-N -1 3 399.451 3.706 20 0 GHADHM Cc1noc(C)c1CCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757725397 929783595 /nfs/dbraw/zinc/78/35/95/929783595.db2.gz JVIFPRHXWORPGY-UHFFFAOYSA-N -1 3 390.237 3.844 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000469402872 929852135 /nfs/dbraw/zinc/85/21/35/929852135.db2.gz XYWBRXPDEJYHAG-IBGZPJMESA-N -1 3 398.478 3.665 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c1[O-] ZINC000757919409 929855038 /nfs/dbraw/zinc/85/50/38/929855038.db2.gz LTFRHASZIVZVJN-NVXWUHKLSA-N -1 3 376.497 3.720 20 0 GHADHM CN(C)C(=O)Cn1ccc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc21 ZINC000469418114 929868541 /nfs/dbraw/zinc/86/85/41/929868541.db2.gz MXQISTUISBSQGJ-UHFFFAOYSA-N -1 3 397.450 3.536 20 0 GHADHM C[C@H](COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])CS(C)(=O)=O ZINC000758048056 929903722 /nfs/dbraw/zinc/90/37/22/929903722.db2.gz PJMDKONHTQMIHL-GFCCVEGCSA-N -1 3 382.865 3.550 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1OC(C)C ZINC000546180030 929931793 /nfs/dbraw/zinc/93/17/93/929931793.db2.gz CMIAOLUZBGZCRM-UHFFFAOYSA-N -1 3 395.477 3.609 20 0 GHADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000546782369 930431314 /nfs/dbraw/zinc/43/13/14/930431314.db2.gz QIRUVOYZUJBYBK-CQSZACIVSA-N -1 3 379.453 3.595 20 0 GHADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000759679187 930449879 /nfs/dbraw/zinc/44/98/79/930449879.db2.gz BRORAJKHDAWRBY-DMIOIOJGSA-N -1 3 379.865 3.920 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1Cl ZINC000546878538 930504818 /nfs/dbraw/zinc/50/48/18/930504818.db2.gz FXBFGTZAGHFAFP-UHFFFAOYSA-N -1 3 398.834 3.842 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(C(F)F)c3)CCCCCC2)no1 ZINC000780695907 930579308 /nfs/dbraw/zinc/57/93/08/930579308.db2.gz WCZXTVRZTDMZGX-UHFFFAOYSA-N -1 3 385.436 3.844 20 0 GHADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000470540317 930697942 /nfs/dbraw/zinc/69/79/42/930697942.db2.gz UFCHGQGEHVXINN-UHFFFAOYSA-N -1 3 394.449 3.650 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnn(-c2cccnc2)c1 ZINC000470645416 930781774 /nfs/dbraw/zinc/78/17/74/930781774.db2.gz VWXHRYGXPXYYSB-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470724613 930856802 /nfs/dbraw/zinc/85/68/02/930856802.db2.gz XQOCPNQZOIUNNX-UHFFFAOYSA-N -1 3 390.361 3.698 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(F)c(C)c3N)nc(=O)c2c1C ZINC000781798879 930986124 /nfs/dbraw/zinc/98/61/24/930986124.db2.gz LILFAVTXQVTMLQ-VIFPVBQESA-N -1 3 375.425 3.961 20 0 GHADHM Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000782193803 931115080 /nfs/dbraw/zinc/11/50/80/931115080.db2.gz IMTXDYXJOJWGLW-UHFFFAOYSA-N -1 3 381.483 3.780 20 0 GHADHM O=C(Cc1ccc(C(F)(F)F)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782219834 931125881 /nfs/dbraw/zinc/12/58/81/931125881.db2.gz HKYUXLNWZIODAQ-UHFFFAOYSA-N -1 3 378.306 3.747 20 0 GHADHM O=C(O[C@H]1CCN(C2CCCCC2)C1=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085836 931189787 /nfs/dbraw/zinc/18/97/87/931189787.db2.gz UQQOPVSPPRFBSL-AWEZNQCLSA-N -1 3 377.391 3.591 20 0 GHADHM CN(C)CCc1ccc(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)cc1 ZINC000557481965 931461912 /nfs/dbraw/zinc/46/19/12/931461912.db2.gz WMGNFHLVCPUDKL-UHFFFAOYSA-N -1 3 398.557 3.609 20 0 GHADHM C[C@H](CO[N-]C(=O)CCc1ccc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000783666041 931612346 /nfs/dbraw/zinc/61/23/46/931612346.db2.gz YMCBXVUDSVBBSC-OAHLLOKOSA-N -1 3 388.464 3.840 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783703283 931622650 /nfs/dbraw/zinc/62/26/50/931622650.db2.gz ILOQGONIQCYQPT-UHFFFAOYSA-N -1 3 379.416 3.708 20 0 GHADHM CS[C@H](C)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000797204017 932222380 /nfs/dbraw/zinc/22/23/80/932222380.db2.gz KNTVPMUVOLBDDR-QWHCGFSZSA-N -1 3 397.493 3.923 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)nc1 ZINC000626293605 932283629 /nfs/dbraw/zinc/28/36/29/932283629.db2.gz KBMGIKGRWBYATR-UHFFFAOYSA-N -1 3 391.475 3.960 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1SC(F)(F)F ZINC000926810921 932315334 /nfs/dbraw/zinc/31/53/34/932315334.db2.gz BTNRIRCAKJKMGG-JTQLQIEISA-N -1 3 385.411 3.718 20 0 GHADHM O=c1cc(CN(CCc2ccccn2)Cc2cccnc2)c2ccc([O-])cc2o1 ZINC000797530936 932322819 /nfs/dbraw/zinc/32/28/19/932322819.db2.gz NAULVCLYCULLAK-UHFFFAOYSA-N -1 3 387.439 3.534 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)n[n-]2)cc1)c1cccs1 ZINC000798277601 932590935 /nfs/dbraw/zinc/59/09/35/932590935.db2.gz VPJPUJWETLCUPP-UHFFFAOYSA-N -1 3 392.234 3.705 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(Br)[n-]n2)cc1)c1cccs1 ZINC000798277601 932590942 /nfs/dbraw/zinc/59/09/42/932590942.db2.gz VPJPUJWETLCUPP-UHFFFAOYSA-N -1 3 392.234 3.705 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCOc1ccc(C)cc1Br ZINC000799093542 932876388 /nfs/dbraw/zinc/87/63/88/932876388.db2.gz PAFANPJGPIRNIW-UHFFFAOYSA-N -1 3 394.265 3.783 20 0 GHADHM CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000928392815 932964298 /nfs/dbraw/zinc/96/42/98/932964298.db2.gz ABNKYOBQOKCZRO-ZDUSSCGKSA-N -1 3 391.393 3.885 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3nnn(CC4CCCC4)c3C)n2)cc1 ZINC000559983548 932999597 /nfs/dbraw/zinc/99/95/97/932999597.db2.gz OTNCTZSFYGHEQI-UHFFFAOYSA-N -1 3 398.492 3.556 20 0 GHADHM COc1ccc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)c(OC)c1OC ZINC000559989264 933002034 /nfs/dbraw/zinc/00/20/34/933002034.db2.gz QFSIVMCDMXGKOO-HSZRJFAPSA-N -1 3 399.487 3.854 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)c1nccs1 ZINC000560028799 933024360 /nfs/dbraw/zinc/02/43/60/933024360.db2.gz MTWQHGNKQHWBEE-SECBINFHSA-N -1 3 395.731 3.989 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)co2)cc1 ZINC000560043276 933033350 /nfs/dbraw/zinc/03/33/50/933033350.db2.gz WFDQNDQTLMVGBC-UHFFFAOYSA-N -1 3 389.477 3.555 20 0 GHADHM CC1(C)C[C@H](OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000799712987 933098127 /nfs/dbraw/zinc/09/81/27/933098127.db2.gz NMRUNGJVKSDUDC-KRWDZBQOSA-N -1 3 375.446 3.517 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc(Br)cc1 ZINC000928922587 933151594 /nfs/dbraw/zinc/15/15/94/933151594.db2.gz QNONUMTUQYMPEM-UHFFFAOYSA-N -1 3 378.270 3.827 20 0 GHADHM COC[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1cccc(C(F)(F)F)c1 ZINC000777720003 933176127 /nfs/dbraw/zinc/17/61/27/933176127.db2.gz HOJQAVYTEVQIPH-KRWDZBQOSA-N -1 3 393.361 3.995 20 0 GHADHM CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC001115895600 933234601 /nfs/dbraw/zinc/23/46/01/933234601.db2.gz LKDSYZFFYZRNFQ-UHFFFAOYSA-N -1 3 398.440 3.640 20 0 GHADHM COc1ccccc1[C@H]([N-]C(=O)C(F)(F)c1ccccc1C)c1noc(C)n1 ZINC001116413040 933544487 /nfs/dbraw/zinc/54/44/87/933544487.db2.gz CHJSIRCYDKJALB-KRWDZBQOSA-N -1 3 387.386 3.693 20 0 GHADHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1C ZINC000560820920 933586882 /nfs/dbraw/zinc/58/68/82/933586882.db2.gz ZFJPWCUARVSRRM-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM CCCO[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(F)cc1C ZINC000929762186 933620431 /nfs/dbraw/zinc/62/04/31/933620431.db2.gz DXQRWYWPWFRWEC-SFHVURJKSA-N -1 3 394.468 3.612 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1Br ZINC001116651902 933684689 /nfs/dbraw/zinc/68/46/89/933684689.db2.gz HEJBTMFFVRPHDH-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)[nH]c4c3)cc2o1 ZINC001116733898 933727138 /nfs/dbraw/zinc/72/71/38/933727138.db2.gz NEWVXOCIEYAMOL-UHFFFAOYSA-N -1 3 378.360 3.751 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC/C=C/C3CC3)c2)cc1 ZINC001117771670 934016015 /nfs/dbraw/zinc/01/60/15/934016015.db2.gz NWFQRYGCEIVTGA-ONEGZZNKSA-N -1 3 384.501 3.800 20 0 GHADHM CN(C)C(=O)c1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000561307559 934040810 /nfs/dbraw/zinc/04/08/10/934040810.db2.gz PIAGSDRDWASXGD-UHFFFAOYSA-N -1 3 390.212 3.606 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001118444474 934171631 /nfs/dbraw/zinc/17/16/31/934171631.db2.gz SARJBAZSBPFBSW-UHFFFAOYSA-N -1 3 388.864 3.565 20 0 GHADHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cccnc1C(F)(F)F ZINC000561478017 934200002 /nfs/dbraw/zinc/20/00/02/934200002.db2.gz SVTFWMRODBMKJR-HNNXBMFYSA-N -1 3 382.363 3.761 20 0 GHADHM CCOC(=O)C(C)(C)c1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000561655227 934342003 /nfs/dbraw/zinc/34/20/03/934342003.db2.gz VEDPODZBWQMCFY-UHFFFAOYSA-N -1 3 394.468 3.790 20 0 GHADHM Cc1ccccc1-n1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cn1 ZINC001119602282 934372581 /nfs/dbraw/zinc/37/25/81/934372581.db2.gz SWMHGHKVQOABFO-MOPGFXCFSA-N -1 3 397.425 3.759 20 0 GHADHM CC(C)(C)c1ncc(/C=C\C(=O)OCc2nnc(-c3ccccc3[O-])o2)s1 ZINC001119664679 934379691 /nfs/dbraw/zinc/37/96/91/934379691.db2.gz CLUDCOZJWNGFQU-HJWRWDBZSA-N -1 3 385.445 3.953 20 0 GHADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120722481 934500349 /nfs/dbraw/zinc/50/03/49/934500349.db2.gz UJUOZGATVGKHNS-SKDRFNHKSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3ccc(C(C)C)cc3)n2C)cc(=O)[n-]1 ZINC001121368909 934639176 /nfs/dbraw/zinc/63/91/76/934639176.db2.gz QLZMOXHQQKIGCB-GOSISDBHSA-N -1 3 378.480 3.751 20 0 GHADHM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000562042007 934653551 /nfs/dbraw/zinc/65/35/51/934653551.db2.gz NMUGMYDGYGYONW-UHFFFAOYSA-N -1 3 391.349 3.567 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(F)c(F)c1 ZINC000778018858 934681315 /nfs/dbraw/zinc/68/13/15/934681315.db2.gz YTOFLDUBFQZZRY-UHFFFAOYSA-N -1 3 381.231 3.880 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cccnc2N2CCCC2)no1 ZINC000562105888 934700333 /nfs/dbraw/zinc/70/03/33/934700333.db2.gz SWIYSEFZUMJKQE-UHFFFAOYSA-N -1 3 387.802 3.777 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCN(c2ccccc2F)C1 ZINC000562159038 934734536 /nfs/dbraw/zinc/73/45/36/934734536.db2.gz JQRGPPLJNHFAFU-NSHDSACASA-N -1 3 379.229 3.759 20 0 GHADHM Cc1ccc(CCCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123267461 935135394 /nfs/dbraw/zinc/13/53/94/935135394.db2.gz HOFMVLQEQAOTTJ-DEOSSOPVSA-N -1 3 394.515 3.553 20 0 GHADHM COCC[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccco1 ZINC001137792360 935791952 /nfs/dbraw/zinc/79/19/52/935791952.db2.gz OSPNNZIEKVCEJG-NSHDSACASA-N -1 3 381.454 3.591 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001138047215 935951650 /nfs/dbraw/zinc/95/16/50/935951650.db2.gz JWYAYWINYKMMPB-CXAGYDPISA-N -1 3 378.394 3.661 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000325362716 971207744 /nfs/dbraw/zinc/20/77/44/971207744.db2.gz NIYMXOZHRHYTRY-CYBMUJFWSA-N -1 3 397.313 3.519 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001573364145 947720546 /nfs/dbraw/zinc/72/05/46/947720546.db2.gz GWISZLTZDWWEIO-BENRWUELSA-N -1 3 394.866 3.836 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001573364145 947720556 /nfs/dbraw/zinc/72/05/56/947720556.db2.gz GWISZLTZDWWEIO-BENRWUELSA-N -1 3 394.866 3.836 20 0 GHADHM CC(=Cc1ccncc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC001573367100 947751480 /nfs/dbraw/zinc/75/14/80/947751480.db2.gz XDCMFEGLAUSXDJ-YPKPFQOOSA-N -1 3 399.458 3.711 20 0 GHADHM CC(=Cc1ccncc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC001573367100 947751489 /nfs/dbraw/zinc/75/14/89/947751489.db2.gz XDCMFEGLAUSXDJ-YPKPFQOOSA-N -1 3 399.458 3.711 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC001574078702 948761064 /nfs/dbraw/zinc/76/10/64/948761064.db2.gz GQWUNIQBHKDRFG-HNNXBMFYSA-N -1 3 390.900 3.778 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC001574082154 948852351 /nfs/dbraw/zinc/85/23/51/948852351.db2.gz BDDKINQRPJWRCR-MOPGFXCFSA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC001574082154 948852365 /nfs/dbraw/zinc/85/23/65/948852365.db2.gz BDDKINQRPJWRCR-MOPGFXCFSA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)c1csc(Sc2ncc(-c3nnn[n-]3)cc2Br)n1 ZINC001574424528 948854858 /nfs/dbraw/zinc/85/48/58/948854858.db2.gz OSJXHCSDIQCWKS-UHFFFAOYSA-N -1 3 383.300 3.755 20 0 GHADHM CC(C)c1csc(Sc2ncc(-c3nn[n-]n3)cc2Br)n1 ZINC001574424528 948854873 /nfs/dbraw/zinc/85/48/73/948854873.db2.gz OSJXHCSDIQCWKS-UHFFFAOYSA-N -1 3 383.300 3.755 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(-c2ccccc2)ns1 ZINC001575505036 949101819 /nfs/dbraw/zinc/10/18/19/949101819.db2.gz XVWYJVLOIHLDBO-ZDUSSCGKSA-N -1 3 390.472 3.823 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(-c2ccccc2)ns1 ZINC001575505036 949101833 /nfs/dbraw/zinc/10/18/33/949101833.db2.gz XVWYJVLOIHLDBO-ZDUSSCGKSA-N -1 3 390.472 3.823 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(Cl)nc2ccccc21 ZINC001575505029 949103878 /nfs/dbraw/zinc/10/38/78/949103878.db2.gz XUDSDVXHIWGFBF-GFCCVEGCSA-N -1 3 392.850 3.902 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(Cl)nc2ccccc21 ZINC001575505029 949103892 /nfs/dbraw/zinc/10/38/92/949103892.db2.gz XUDSDVXHIWGFBF-GFCCVEGCSA-N -1 3 392.850 3.902 20 0 GHADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001574093963 949126217 /nfs/dbraw/zinc/12/62/17/949126217.db2.gz ZUNXGTCIFBIESE-UZLBHIALSA-N -1 3 378.436 3.675 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Nc2cccnc2)cc1 ZINC001575513166 949146753 /nfs/dbraw/zinc/14/67/53/949146753.db2.gz QKDXYULQPFCMIG-HNNXBMFYSA-N -1 3 399.458 3.839 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Nc2cccnc2)cc1 ZINC001575513166 949146761 /nfs/dbraw/zinc/14/67/61/949146761.db2.gz QKDXYULQPFCMIG-HNNXBMFYSA-N -1 3 399.458 3.839 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001575856048 949244029 /nfs/dbraw/zinc/24/40/29/949244029.db2.gz CPHRHTGKTRXDQK-OAQYLSRUSA-N -1 3 394.454 3.982 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001575856048 949244049 /nfs/dbraw/zinc/24/40/49/949244049.db2.gz CPHRHTGKTRXDQK-OAQYLSRUSA-N -1 3 394.454 3.982 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)C1 ZINC001576153080 949273705 /nfs/dbraw/zinc/27/37/05/949273705.db2.gz LQKYFMPYPNCSFQ-KGLIPLIRSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)C1 ZINC001576153080 949273728 /nfs/dbraw/zinc/27/37/28/949273728.db2.gz LQKYFMPYPNCSFQ-KGLIPLIRSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001576166460 949578984 /nfs/dbraw/zinc/57/89/84/949578984.db2.gz LRTMTGWUWLBRKM-BMIGLBTASA-N -1 3 398.280 3.776 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001576166460 949578994 /nfs/dbraw/zinc/57/89/94/949578994.db2.gz LRTMTGWUWLBRKM-BMIGLBTASA-N -1 3 398.280 3.776 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC001573863408 950481231 /nfs/dbraw/zinc/48/12/31/950481231.db2.gz HJOSXFLDMLEMTC-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC001573863408 950481246 /nfs/dbraw/zinc/48/12/46/950481246.db2.gz HJOSXFLDMLEMTC-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001574167767 950493389 /nfs/dbraw/zinc/49/33/89/950493389.db2.gz IUHXSGQUYWQHFU-GFCCVEGCSA-N -1 3 378.427 3.968 20 0 GHADHM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001574167767 950493400 /nfs/dbraw/zinc/49/34/00/950493400.db2.gz IUHXSGQUYWQHFU-GFCCVEGCSA-N -1 3 378.427 3.968 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cccc(Cl)n3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576214448 950669655 /nfs/dbraw/zinc/66/96/55/950669655.db2.gz APSAESPLMZIUCH-BDAKNGLRSA-N -1 3 388.884 3.915 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cccc(Cl)n3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576214448 950669666 /nfs/dbraw/zinc/66/96/66/950669666.db2.gz APSAESPLMZIUCH-BDAKNGLRSA-N -1 3 388.884 3.915 20 0 GHADHM CC(C)(C)Oc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1-c1nnn[n-]1 ZINC001573876981 950688635 /nfs/dbraw/zinc/68/86/35/950688635.db2.gz ZKVCCCCARZFKGK-UHFFFAOYSA-N -1 3 389.463 3.842 20 0 GHADHM CC(C)(C)Oc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1-c1nn[n-]n1 ZINC001573876981 950688650 /nfs/dbraw/zinc/68/86/50/950688650.db2.gz ZKVCCCCARZFKGK-UHFFFAOYSA-N -1 3 389.463 3.842 20 0 GHADHM CC(C)C(C)(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)C1 ZINC001576216439 950736079 /nfs/dbraw/zinc/73/60/79/950736079.db2.gz ZGFLKQNWPYJMLF-OAHLLOKOSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)C(C)(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C)C1 ZINC001576216439 950736097 /nfs/dbraw/zinc/73/60/97/950736097.db2.gz ZGFLKQNWPYJMLF-OAHLLOKOSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573882189 950775109 /nfs/dbraw/zinc/77/51/09/950775109.db2.gz WZWJTLDAMXPIOQ-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573882189 950775126 /nfs/dbraw/zinc/77/51/26/950775126.db2.gz WZWJTLDAMXPIOQ-UHFFFAOYSA-N -1 3 380.448 3.929 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cncc4[nH]ccc43)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576218283 950781178 /nfs/dbraw/zinc/78/11/78/950781178.db2.gz QATMMDCAFMIIJT-NXEZZACHSA-N -1 3 393.476 3.743 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cncc4[nH]ccc43)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576218283 950781192 /nfs/dbraw/zinc/78/11/92/950781192.db2.gz QATMMDCAFMIIJT-NXEZZACHSA-N -1 3 393.476 3.743 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)c3cncc4[nH]ccc43)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576218285 950783492 /nfs/dbraw/zinc/78/34/92/950783492.db2.gz QATMMDCAFMIIJT-VHSXEESVSA-N -1 3 393.476 3.743 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)c3cncc4[nH]ccc43)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576218285 950783502 /nfs/dbraw/zinc/78/35/02/950783502.db2.gz QATMMDCAFMIIJT-VHSXEESVSA-N -1 3 393.476 3.743 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1ccccc1 ZINC001576218428 950791061 /nfs/dbraw/zinc/79/10/61/950791061.db2.gz RKNVMBDBNJXBRH-ZIAGYGMSSA-N -1 3 376.464 3.519 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1ccccc1 ZINC001576218428 950791071 /nfs/dbraw/zinc/79/10/71/950791071.db2.gz RKNVMBDBNJXBRH-ZIAGYGMSSA-N -1 3 376.464 3.519 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCc2ncc(Cl)s2)c1-c1nnn[n-]1 ZINC001573885087 950819287 /nfs/dbraw/zinc/81/92/87/950819287.db2.gz RLFVEMKGDIPXOM-UHFFFAOYSA-N -1 3 397.917 3.657 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NCc2ncc(Cl)s2)c1-c1nn[n-]n1 ZINC001573885087 950819311 /nfs/dbraw/zinc/81/93/11/950819311.db2.gz RLFVEMKGDIPXOM-UHFFFAOYSA-N -1 3 397.917 3.657 20 0 GHADHM CC1(C)CC(NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC001575638470 950832285 /nfs/dbraw/zinc/83/22/85/950832285.db2.gz DOIPTDNFMQMWQG-UHFFFAOYSA-N -1 3 385.487 3.759 20 0 GHADHM CC1(C)CC(NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC001575638470 950832309 /nfs/dbraw/zinc/83/23/09/950832309.db2.gz DOIPTDNFMQMWQG-UHFFFAOYSA-N -1 3 385.487 3.759 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001576220986 950840008 /nfs/dbraw/zinc/84/00/08/950840008.db2.gz YORPTRCSYZTAOH-BTDLBPIBSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001576220986 950840024 /nfs/dbraw/zinc/84/00/24/950840024.db2.gz YORPTRCSYZTAOH-BTDLBPIBSA-N -1 3 384.390 3.590 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC001573887845 950856241 /nfs/dbraw/zinc/85/62/41/950856241.db2.gz KUDYNOHROQBMPR-UHFFFAOYSA-N -1 3 397.468 3.519 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC001573887845 950856260 /nfs/dbraw/zinc/85/62/60/950856260.db2.gz KUDYNOHROQBMPR-UHFFFAOYSA-N -1 3 397.468 3.519 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC001575188500 952449138 /nfs/dbraw/zinc/44/91/38/952449138.db2.gz IKPLFPGMRAXGCK-AWEZNQCLSA-N -1 3 390.422 3.614 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC001575188500 952449140 /nfs/dbraw/zinc/44/91/40/952449140.db2.gz IKPLFPGMRAXGCK-AWEZNQCLSA-N -1 3 390.422 3.614 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001575189483 952457047 /nfs/dbraw/zinc/45/70/47/952457047.db2.gz PPAVMGPMLGMYDJ-NRFANRHFSA-N -1 3 389.484 3.816 20 0 GHADHM C[C@@](Cc1ccccc1)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001575189483 952457049 /nfs/dbraw/zinc/45/70/49/952457049.db2.gz PPAVMGPMLGMYDJ-NRFANRHFSA-N -1 3 389.484 3.816 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001575190080 952461519 /nfs/dbraw/zinc/46/15/19/952461519.db2.gz RAAMOJMLVFOGOT-OAHLLOKOSA-N -1 3 389.503 3.932 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001575190080 952461522 /nfs/dbraw/zinc/46/15/22/952461522.db2.gz RAAMOJMLVFOGOT-OAHLLOKOSA-N -1 3 389.503 3.932 20 0 GHADHM CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC001593760614 954483468 /nfs/dbraw/zinc/48/34/68/954483468.db2.gz RDARLBLZFUGTFV-QUCCMNQESA-N -1 3 397.519 3.681 20 0 GHADHM CO[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001593940445 956269337 /nfs/dbraw/zinc/26/93/37/956269337.db2.gz MRHFEQODFQQTHE-MAUKXSAKSA-N -1 3 392.883 3.711 20 0 GHADHM CC[C@@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC001573804387 960842619 /nfs/dbraw/zinc/84/26/19/960842619.db2.gz RSLNYRJBSFHRKV-NRFANRHFSA-N -1 3 395.503 3.662 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001346260490 962335701 /nfs/dbraw/zinc/33/57/01/962335701.db2.gz NEIXOVCBOXIZDB-XMMPIXPASA-N -1 3 394.515 3.833 20 0 GHADHM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001349876071 962486301 /nfs/dbraw/zinc/48/63/01/962486301.db2.gz VYQXXPCCERDERP-HXOBKFHXSA-N -1 3 398.478 3.555 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CCCN(Cc2ccccc2)C1 ZINC001517332062 962767428 /nfs/dbraw/zinc/76/74/28/962767428.db2.gz IDFULEKYZIVKRN-VMIIQTFKSA-N -1 3 398.547 3.829 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)Cc1c(C(=O)[O-])cnn1C ZINC001604167286 972579628 /nfs/dbraw/zinc/57/96/28/972579628.db2.gz FLOPUXMHZUZWNP-UHFFFAOYSA-N -1 3 382.464 3.618 20 0 GHADHM CC(C)Oc1cc(Cl)c(CN[C@@]2(CC(=O)[O-])CCCOC2)cc1Cl ZINC001591755139 975815348 /nfs/dbraw/zinc/81/53/48/975815348.db2.gz AZUXPVYUQPEROF-QGZVFWFLSA-N -1 3 376.280 3.894 20 0 GHADHM CC(C)Oc1ccc([C@H](CNc2nc(Cl)c(C(=O)[O-])s2)N(C)C)cc1 ZINC001591776827 975927883 /nfs/dbraw/zinc/92/78/83/975927883.db2.gz NAVFWIJWKXMKIZ-ZDUSSCGKSA-N -1 3 383.901 3.997 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cc(F)ccc1OC(F)F ZINC001592267248 977512956 /nfs/dbraw/zinc/51/29/56/977512956.db2.gz CBNIQPJQFLMKQJ-NSHDSACASA-N -1 3 396.365 3.632 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1[O-])[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001625991605 1014642579 /nfs/dbraw/zinc/64/25/79/1014642579.db2.gz ATHYGGPYJCYUGE-CYBMUJFWSA-N -1 3 382.357 3.766 20 0 GHADHM CC[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595299790 980430772 /nfs/dbraw/zinc/43/07/72/980430772.db2.gz FPUDOGVTRVNYJI-UXHICEINSA-N -1 3 382.460 3.743 20 0 GHADHM CC[C@@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C(C)(C)c1ccccc1 ZINC001595305821 980451898 /nfs/dbraw/zinc/45/18/98/980451898.db2.gz MZGAAQYROYSZQW-GOSISDBHSA-N -1 3 379.460 3.880 20 0 GHADHM CC[C@@](C)(COc1ncccc1Cl)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594834994 982026522 /nfs/dbraw/zinc/02/65/22/982026522.db2.gz CUHLNKRQDRPMNO-IBGZPJMESA-N -1 3 388.855 3.647 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccco1 ZINC001594994018 982867861 /nfs/dbraw/zinc/86/78/61/982867861.db2.gz FNWJSJAOGDNTEI-XHDPSFHLSA-N -1 3 379.844 3.882 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccco1 ZINC001594993928 982868061 /nfs/dbraw/zinc/86/80/61/982868061.db2.gz DKHSYYWLKXFJAL-NHYWBVRUSA-N -1 3 377.416 3.676 20 0 GHADHM CCN(C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC001596142733 983494916 /nfs/dbraw/zinc/49/49/16/983494916.db2.gz DPUISODVOUVUQK-ORYQWCPZSA-N -1 3 398.478 3.535 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OC(F)(F)F)cc1)c1ccccc1N ZINC001176643766 1014967699 /nfs/dbraw/zinc/96/76/99/1014967699.db2.gz GSJNWZAJJRMSQM-UHFFFAOYSA-N -1 3 385.367 3.946 20 0 GHADHM COC(=O)N=C([S-])N(c1ccc(OC(F)(F)F)cc1)c1ccccc1N ZINC001176643766 1014967703 /nfs/dbraw/zinc/96/77/03/1014967703.db2.gz GSJNWZAJJRMSQM-UHFFFAOYSA-N -1 3 385.367 3.946 20 0 GHADHM C[C@@H]1CN(Cc2ccc(CN(C)Cc3ccsc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC001599929255 985275580 /nfs/dbraw/zinc/27/55/80/985275580.db2.gz CFWSEGDEUJDTOQ-IYBDPMFKSA-N -1 3 388.533 3.688 20 0 GHADHM Cc1c(Br)cccc1CNCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599972584 986032798 /nfs/dbraw/zinc/03/27/98/986032798.db2.gz RHCGPNMDRKLBJS-UHFFFAOYSA-N -1 3 377.282 3.883 20 0 GHADHM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1OC ZINC001596987195 986263061 /nfs/dbraw/zinc/26/30/61/986263061.db2.gz PYUZJZHQJWANJF-GOSISDBHSA-N -1 3 391.851 3.598 20 0 GHADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589358774 986350838 /nfs/dbraw/zinc/35/08/38/986350838.db2.gz GAMVPDFNJXMWCT-OWYHZJEWSA-N -1 3 398.528 3.600 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001597014711 986362994 /nfs/dbraw/zinc/36/29/94/986362994.db2.gz IOOMHTOCXJQUEX-UHFFFAOYSA-N -1 3 399.491 3.688 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001597257806 987264105 /nfs/dbraw/zinc/26/41/05/987264105.db2.gz ANSFALLYESAIJF-KWCYVHTRSA-N -1 3 396.578 3.773 20 0 GHADHM COCC[C@H]1CCCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000468136120 1015316788 /nfs/dbraw/zinc/31/67/88/1015316788.db2.gz KTFNQWLWAPNQEI-CYBMUJFWSA-N -1 3 385.302 3.503 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC001597453096 987853386 /nfs/dbraw/zinc/85/33/86/987853386.db2.gz LGUKNXXBKDXHOZ-UHFFFAOYSA-N -1 3 375.494 3.604 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001597457967 987878469 /nfs/dbraw/zinc/87/84/69/987878469.db2.gz QBUHLKFXYDQJDJ-IBGZPJMESA-N -1 3 381.476 3.652 20 0 GHADHM CS[C@@H]1CC[C@@H](N(C)Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001599787753 987952221 /nfs/dbraw/zinc/95/22/21/987952221.db2.gz HPPQXCBZHKFBAE-GHMZBOCLSA-N -1 3 398.326 3.670 20 0 GHADHM CSc1cccc(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001599821788 988526637 /nfs/dbraw/zinc/52/66/37/988526637.db2.gz IPINDKISTKWMPE-ZOCIIQOWSA-N -1 3 384.501 3.536 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001597761828 989193036 /nfs/dbraw/zinc/19/30/36/989193036.db2.gz YNECPEXBKCUQNN-HNNXBMFYSA-N -1 3 382.501 3.911 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001597767369 989219910 /nfs/dbraw/zinc/21/99/10/989219910.db2.gz KIMSUAYAEZIDGJ-HNAYVOBHSA-N -1 3 396.409 3.883 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001590176409 989505971 /nfs/dbraw/zinc/50/59/71/989505971.db2.gz HZPCNKIKWSRNNL-CYBMUJFWSA-N -1 3 382.888 3.775 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001590185618 989543572 /nfs/dbraw/zinc/54/35/72/989543572.db2.gz UJLVKOVQEUPJAR-UHFFFAOYSA-N -1 3 380.460 3.651 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(C(=O)[O-])c1Cl ZINC001590257275 989650272 /nfs/dbraw/zinc/65/02/72/989650272.db2.gz NTRSIMFVUBYEPH-HUUCEWRRSA-N -1 3 382.888 3.964 20 0 GHADHM CC(C)(C)c1cccc(OCCCN2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])c1 ZINC001590499018 990111046 /nfs/dbraw/zinc/11/10/46/990111046.db2.gz OLITXLKLJZNNEP-NRFANRHFSA-N -1 3 383.488 3.970 20 0 GHADHM CN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001598056492 990316377 /nfs/dbraw/zinc/31/63/77/990316377.db2.gz MSULJKXBLPEVGT-KRWDZBQOSA-N -1 3 392.459 3.604 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001598202911 990825788 /nfs/dbraw/zinc/82/57/88/990825788.db2.gz MWOQVIHYYNSPJD-OAHLLOKOSA-N -1 3 397.809 3.741 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590980565 991132860 /nfs/dbraw/zinc/13/28/60/991132860.db2.gz HNUYXRRLDXNUIW-LJQANCHMSA-N -1 3 387.455 3.802 20 0 GHADHM COc1ccccc1COC1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001599713250 991408201 /nfs/dbraw/zinc/40/82/01/991408201.db2.gz WCQGANAHADXAEK-UHFFFAOYSA-N -1 3 384.476 3.780 20 0 GHADHM CC(C)Cc1ccc([C@@H](CN[C@@H](C)c2ncc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591483370 992601910 /nfs/dbraw/zinc/60/19/10/992601910.db2.gz BRELYNFWZKTQLQ-WMLDXEAASA-N -1 3 375.538 3.993 20 0 GHADHM CC(C)Cc1ccc([C@H](CN[C@@H](C)c2ncc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591483371 992602103 /nfs/dbraw/zinc/60/21/03/992602103.db2.gz BRELYNFWZKTQLQ-YOEHRIQHSA-N -1 3 375.538 3.993 20 0 GHADHM CN1CCN(C(=O)Nc2cccc([C@H]3CCCC(C)(C)C3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609294 993735069 /nfs/dbraw/zinc/73/50/69/993735069.db2.gz RQFVLQAILZAXNP-ROUUACIJSA-N -1 3 387.524 3.851 20 0 GHADHM C[C@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001593113281 993790547 /nfs/dbraw/zinc/79/05/47/993790547.db2.gz TUJASKPDRLQOSE-GTNSWQLSSA-N -1 3 393.846 3.990 20 0 GHADHM CN(C)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000468579969 1015818853 /nfs/dbraw/zinc/81/88/53/1015818853.db2.gz FUPKBDHQMAJFQE-SFHVURJKSA-N -1 3 378.875 3.927 20 0 GHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CC(=O)N2C ZINC001593194688 994139383 /nfs/dbraw/zinc/13/93/83/994139383.db2.gz LOEPDTLDWWIINC-BBATYDOGSA-N -1 3 392.377 3.701 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCCC3(C)C)cs2)c1 ZINC000545506030 1015961482 /nfs/dbraw/zinc/96/14/82/1015961482.db2.gz FDHCZCVTAXYXCG-INIZCTEOSA-N -1 3 387.505 3.647 20 0 GHADHM COC(=O)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598872755 996745138 /nfs/dbraw/zinc/74/51/38/996745138.db2.gz BCJWPNAWEOSNEJ-QGZVFWFLSA-N -1 3 382.243 3.624 20 0 GHADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000468844986 1016100444 /nfs/dbraw/zinc/10/04/44/1016100444.db2.gz GASOVZFSQQZYQX-UHFFFAOYSA-N -1 3 387.451 3.719 20 0 GHADHM COC(=O)c1[nH]c2ccccc2c1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001598909465 997331601 /nfs/dbraw/zinc/33/16/01/997331601.db2.gz FCTQBBMIMHTRTJ-UHFFFAOYSA-N -1 3 386.835 3.695 20 0 GHADHM COc1ccc([C@H](N[C@H](C(=O)[O-])c2cccc(Br)c2)C2CC2)cn1 ZINC001599526845 997574614 /nfs/dbraw/zinc/57/46/14/997574614.db2.gz FJFNVLLQKPITGD-SJORKVTESA-N -1 3 391.265 3.719 20 0 GHADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)n2c1CCCC2 ZINC001598931929 997775575 /nfs/dbraw/zinc/77/55/75/997775575.db2.gz ITRDMUYTLXXCOU-NRFANRHFSA-N -1 3 392.455 3.680 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000468882403 1016161496 /nfs/dbraw/zinc/16/14/96/1016161496.db2.gz HREXBFOXGVDBFN-UHFFFAOYSA-N -1 3 397.381 3.560 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)O1 ZINC001594100288 998104694 /nfs/dbraw/zinc/10/46/94/998104694.db2.gz NMVHSVQPMFWQOD-GDZNZVCISA-N -1 3 398.425 3.752 20 0 GHADHM COc1ccc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c(F)c1OC ZINC001599564673 998264305 /nfs/dbraw/zinc/26/43/05/998264305.db2.gz PTGJGKNMQZPDDG-JKSUJKDBSA-N -1 3 393.842 3.797 20 0 GHADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCc2ccc(F)cc2)c1 ZINC001599474862 998512242 /nfs/dbraw/zinc/51/22/42/998512242.db2.gz JRBDODDJOLQQOG-QGZVFWFLSA-N -1 3 396.256 3.897 20 0 GHADHM C[C@@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CC1 ZINC001594442558 999629706 /nfs/dbraw/zinc/62/97/06/999629706.db2.gz USKIKGCOXNSMNT-RYUDHWBXSA-N -1 3 376.522 3.773 20 0 GHADHM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155170102 1032442320 /nfs/dbraw/zinc/44/23/20/1032442320.db2.gz DLPQDBUDMIZDKM-UHFFFAOYSA-N -1 3 389.806 3.573 20 0 GHADHM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155170102 1032442333 /nfs/dbraw/zinc/44/23/33/1032442333.db2.gz DLPQDBUDMIZDKM-UHFFFAOYSA-N -1 3 389.806 3.573 20 0 GHADHM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155170102 1032442339 /nfs/dbraw/zinc/44/23/39/1032442339.db2.gz DLPQDBUDMIZDKM-UHFFFAOYSA-N -1 3 389.806 3.573 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)n(-c2cccnc2)n1 ZINC001155176395 1032444726 /nfs/dbraw/zinc/44/47/26/1032444726.db2.gz BZKMQRFUGJDQGZ-UHFFFAOYSA-N -1 3 395.854 3.742 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)n(-c2cccnc2)n1 ZINC001155176395 1032444733 /nfs/dbraw/zinc/44/47/33/1032444733.db2.gz BZKMQRFUGJDQGZ-UHFFFAOYSA-N -1 3 395.854 3.742 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)n(-c2cccnc2)n1 ZINC001155176395 1032444739 /nfs/dbraw/zinc/44/47/39/1032444739.db2.gz BZKMQRFUGJDQGZ-UHFFFAOYSA-N -1 3 395.854 3.742 20 0 GHADHM O=C(Nc1ccc2cnn([C@@H]3CCCCO3)c2c1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178293 1032446326 /nfs/dbraw/zinc/44/63/26/1032446326.db2.gz HNGOSWPXAIPWEF-INIZCTEOSA-N -1 3 396.838 3.912 20 0 GHADHM O=C(Nc1ccc2cnn([C@@H]3CCCCO3)c2c1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178293 1032446333 /nfs/dbraw/zinc/44/63/33/1032446333.db2.gz HNGOSWPXAIPWEF-INIZCTEOSA-N -1 3 396.838 3.912 20 0 GHADHM O=C(Nc1ccc2cnn([C@@H]3CCCCO3)c2c1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155178293 1032446339 /nfs/dbraw/zinc/44/63/39/1032446339.db2.gz HNGOSWPXAIPWEF-INIZCTEOSA-N -1 3 396.838 3.912 20 0 GHADHM COc1ccc(OC(F)(F)F)cc1NC(=O)c1nc2nc(Cl)ccc2[n-]1 ZINC001155179597 1032447397 /nfs/dbraw/zinc/44/73/97/1032447397.db2.gz ZENAADUCHKSCQL-UHFFFAOYSA-N -1 3 386.717 3.771 20 0 GHADHM COc1ccc(OC(F)(F)F)cc1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155179597 1032447404 /nfs/dbraw/zinc/44/74/04/1032447404.db2.gz ZENAADUCHKSCQL-UHFFFAOYSA-N -1 3 386.717 3.771 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@@H]1C[C@H]1C1CC1 ZINC001155293803 1032488596 /nfs/dbraw/zinc/48/85/96/1032488596.db2.gz MGIMSFUPMPSAAB-HJNYFJLDSA-N -1 3 392.499 3.806 20 0 GHADHM C[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1c(F)cc(Br)cc1F ZINC001227615797 1032487274 /nfs/dbraw/zinc/48/72/74/1032487274.db2.gz GNXJGCVSUBDRKV-RXMQYKEDSA-N -1 3 387.209 3.822 20 0 GHADHM CCCONC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931625561 1018013807 /nfs/dbraw/zinc/01/38/07/1018013807.db2.gz KPVCPUINURFKIK-UHFFFAOYSA-N -1 3 377.466 3.567 20 0 GHADHM COc1cc(OC)c([N-]S(=O)(=O)CCCOCc2ccccc2)cc1Cl ZINC000562477306 1018196627 /nfs/dbraw/zinc/19/66/27/1018196627.db2.gz GYHDKUSSNZCRQC-UHFFFAOYSA-N -1 3 399.896 3.706 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@]3(C=Cc4ccccc4O3)C2)o1 ZINC000933658171 1018882101 /nfs/dbraw/zinc/88/21/01/1018882101.db2.gz YBPHKTFEIZRLMU-QFIPXVFZSA-N -1 3 375.428 3.883 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C[C@](C)(O)c3ccccc3)nc(=O)c2c1C ZINC000778335999 1019000897 /nfs/dbraw/zinc/00/08/97/1019000897.db2.gz IWVJXTZPYKPJCT-YUNKPMOVSA-N -1 3 386.473 3.916 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CO[C@H](C)CO[C@H](C)COC ZINC001228135171 1032802101 /nfs/dbraw/zinc/80/21/01/1032802101.db2.gz XLDKBFOSPRPGBI-BZUAXINKSA-N -1 3 382.497 3.771 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc3c(n2)CCCC3)s1 ZINC001155969655 1032820833 /nfs/dbraw/zinc/82/08/33/1032820833.db2.gz DCMSZYYXLTURRU-UHFFFAOYSA-N -1 3 388.493 3.694 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1CO ZINC000568457177 1019409945 /nfs/dbraw/zinc/40/99/45/1019409945.db2.gz WICDXLBECONILP-UHFFFAOYSA-N -1 3 389.395 3.706 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@H](c4nncn4C(C)C)C3)c2c1 ZINC000576229893 1019990376 /nfs/dbraw/zinc/99/03/76/1019990376.db2.gz GQZDIQQUCJGDDF-HNNXBMFYSA-N -1 3 379.464 3.798 20 0 GHADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577002191 1020103084 /nfs/dbraw/zinc/10/30/84/1020103084.db2.gz CVAKLWFKVNAXJA-UHFFFAOYSA-N -1 3 387.289 3.515 20 0 GHADHM CC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000054491115 1020464474 /nfs/dbraw/zinc/46/44/74/1020464474.db2.gz CPVVESJLRJZXGV-MRVPVSSYSA-N -1 3 385.121 3.536 20 0 GHADHM Cc1c(Cl)ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])c1Cl ZINC000900036677 1021297608 /nfs/dbraw/zinc/29/76/08/1021297608.db2.gz AMNUZFXSJCNVMY-CYBMUJFWSA-N -1 3 376.280 3.967 20 0 GHADHM C[C@H](Oc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1)C(=O)[O-] ZINC000902120091 1021481685 /nfs/dbraw/zinc/48/16/85/1021481685.db2.gz YOUPBNNJGHBCGR-GJZGRUSLSA-N -1 3 382.460 3.738 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902142111 1021484829 /nfs/dbraw/zinc/48/48/29/1021484829.db2.gz CMBYHXRSSZUMTC-KRWDZBQOSA-N -1 3 392.455 3.985 20 0 GHADHM Cc1cccc(CC[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000902929946 1021555860 /nfs/dbraw/zinc/55/58/60/1021555860.db2.gz IYARIKDSGVAHSI-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@H]1CCCC1=O ZINC000748174497 1021671217 /nfs/dbraw/zinc/67/12/17/1021671217.db2.gz RUWFZQMCHWLJMW-XLIONFOSSA-N -1 3 395.455 3.556 20 0 GHADHM Cc1[nH]c(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c(C)c1C(=O)[O-] ZINC001140495520 1021848016 /nfs/dbraw/zinc/84/80/16/1021848016.db2.gz UWRJRQPWGHKGKV-UHFFFAOYSA-N -1 3 390.443 3.837 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000749183263 1021874065 /nfs/dbraw/zinc/87/40/65/1021874065.db2.gz VHQXCHQTBHPTLH-GFCCVEGCSA-N -1 3 393.509 3.635 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2Cl)n[nH]1 ZINC000678881065 1021935608 /nfs/dbraw/zinc/93/56/08/1021935608.db2.gz BBZYJCPXKFRJMP-UHFFFAOYSA-N -1 3 379.807 3.527 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCC[C@]1(O)C(F)(F)F ZINC001140547701 1021949403 /nfs/dbraw/zinc/94/94/03/1021949403.db2.gz KKQHLAYOEXMXNC-IINYFYTJSA-N -1 3 382.220 3.680 20 0 GHADHM Cc1cccnc1N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC001140548392 1021950089 /nfs/dbraw/zinc/95/00/89/1021950089.db2.gz KYNUBTPKRUTRBQ-UHFFFAOYSA-N -1 3 376.298 3.570 20 0 GHADHM CCCc1noc([C@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC001140553023 1021955774 /nfs/dbraw/zinc/95/57/74/1021955774.db2.gz PPPSLOXACPTTJD-ZDUSSCGKSA-N -1 3 380.286 3.870 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001228630799 1033020943 /nfs/dbraw/zinc/02/09/43/1033020943.db2.gz ULYGKHCXPFPCJS-HNNXBMFYSA-N -1 3 387.432 3.585 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1Cl ZINC000680106691 1022093753 /nfs/dbraw/zinc/09/37/53/1022093753.db2.gz JAERYNNYDRYPDI-JTQLQIEISA-N -1 3 380.199 3.684 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC(C(C)C)C(C)C)cs2)c1 ZINC000680638140 1022193785 /nfs/dbraw/zinc/19/37/85/1022193785.db2.gz NNRFXUKTXFDOJA-UHFFFAOYSA-N -1 3 389.521 3.749 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1[O-] ZINC000754262738 1022566278 /nfs/dbraw/zinc/56/62/78/1022566278.db2.gz ROPOCTTWUNANOI-CQSZACIVSA-N -1 3 387.432 3.519 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000754267068 1022568681 /nfs/dbraw/zinc/56/86/81/1022568681.db2.gz IKBBZRKPBDWZRD-CYBMUJFWSA-N -1 3 387.432 3.718 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc(OC)c1[O-] ZINC000754275062 1022575184 /nfs/dbraw/zinc/57/51/84/1022575184.db2.gz FYPZKPBWONHJEN-NSHDSACASA-N -1 3 393.823 3.555 20 0 GHADHM COc1cc(C(=O)OCc2csc(-c3ccc(C)o3)n2)cc(OC)c1[O-] ZINC000754277563 1022578046 /nfs/dbraw/zinc/57/80/46/1022578046.db2.gz BRWSZGODBOAVMQ-UHFFFAOYSA-N -1 3 375.402 3.791 20 0 GHADHM Cc1[nH]nc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c1C(F)(F)F ZINC001156499925 1033070131 /nfs/dbraw/zinc/07/01/31/1033070131.db2.gz GSBRXAMKHIQMNO-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 ZINC000754457803 1022718637 /nfs/dbraw/zinc/71/86/37/1022718637.db2.gz OAPZDPHLBOAYDW-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000836455607 1022989406 /nfs/dbraw/zinc/98/94/06/1022989406.db2.gz UTARACZONUCBMH-OAHLLOKOSA-N -1 3 377.485 3.769 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000836455607 1022989410 /nfs/dbraw/zinc/98/94/10/1022989410.db2.gz UTARACZONUCBMH-OAHLLOKOSA-N -1 3 377.485 3.769 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140994335 1023117006 /nfs/dbraw/zinc/11/70/06/1023117006.db2.gz RELHRBMBMWPTBK-INIZCTEOSA-N -1 3 382.451 3.940 20 0 GHADHM O=C(c1cccs1)N1CCC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140994361 1023118322 /nfs/dbraw/zinc/11/83/22/1023118322.db2.gz WVHMXDZFNMOKJT-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C1CCc2cc([O-])c(OC3CN(Cc4ccc(Br)cc4)C3)cc21 ZINC001228852958 1033137075 /nfs/dbraw/zinc/13/70/75/1033137075.db2.gz DVTXJPAZRNYMKB-UHFFFAOYSA-N -1 3 388.261 3.547 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCC2CCC2)CC1 ZINC000756120047 1023527848 /nfs/dbraw/zinc/52/78/48/1023527848.db2.gz KZSOWMRDTIAUBB-UHFFFAOYSA-N -1 3 379.888 3.596 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(-n4ccnn4)c3)nc(=O)c2c1C ZINC000756281517 1023577027 /nfs/dbraw/zinc/57/70/27/1023577027.db2.gz SDOYMTUVSLZFND-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NC/C=C\c2ccc(F)cc2F)c1OC ZINC000756336763 1023595373 /nfs/dbraw/zinc/59/53/73/1023595373.db2.gz KLFHZANHRVTZLT-CHYADLBTSA-N -1 3 377.387 3.801 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccccc1 ZINC000756384425 1023622936 /nfs/dbraw/zinc/62/29/36/1023622936.db2.gz PFVBITPRWWQHFJ-KDOFPFPSSA-N -1 3 385.464 3.980 20 0 GHADHM O=C([N-]Cc1ccc(COCC(F)(F)F)cc1)C(F)(F)c1nccs1 ZINC000756415290 1023636833 /nfs/dbraw/zinc/63/68/33/1023636833.db2.gz VFCWQUNWHQSWFC-UHFFFAOYSA-N -1 3 380.338 3.630 20 0 GHADHM CCCOc1ccc(C[N-]C(=O)C(F)(F)c2nccs2)c(OC(F)F)c1 ZINC000756511865 1023692458 /nfs/dbraw/zinc/69/24/58/1023692458.db2.gz SPPDZUIFKDCQFK-UHFFFAOYSA-N -1 3 392.374 3.942 20 0 GHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756615200 1023738659 /nfs/dbraw/zinc/73/86/59/1023738659.db2.gz MEWCOHDXTCEMBN-UHFFFAOYSA-N -1 3 398.463 3.523 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H](C)C3CCC3)c2)c1 ZINC000756808220 1023823072 /nfs/dbraw/zinc/82/30/72/1023823072.db2.gz DJFJPNQOCCFXNF-CYBMUJFWSA-N -1 3 398.459 3.580 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1ccc(C(F)(F)F)nc1Cl ZINC000756810491 1023823991 /nfs/dbraw/zinc/82/39/91/1023823991.db2.gz DKJJCWUMMKLYTR-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM COc1ccc(C2([N-]C(=O)C(F)(F)c3c(F)cccc3F)CCOCC2)cc1 ZINC000756962866 1023888076 /nfs/dbraw/zinc/88/80/76/1023888076.db2.gz IUNIJDQHPOQFCJ-UHFFFAOYSA-N -1 3 397.368 3.887 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000830515275 1023962257 /nfs/dbraw/zinc/96/22/57/1023962257.db2.gz UEQYIHWASBAKLV-UHFFFAOYSA-N -1 3 397.368 3.603 20 0 GHADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001138105200 1024108044 /nfs/dbraw/zinc/10/80/44/1024108044.db2.gz RUCDBHIMGIOZOI-GFCCVEGCSA-N -1 3 398.846 3.785 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958164 1033199854 /nfs/dbraw/zinc/19/98/54/1033199854.db2.gz JDKUZXFIHITWCM-ARFHVFGLSA-N -1 3 382.497 3.942 20 0 GHADHM C[C@H]1Cc2cc(C(=O)Nc3ccc(I)cc3[O-])ccc2O1 ZINC001138176612 1024307157 /nfs/dbraw/zinc/30/71/57/1024307157.db2.gz MOHPKXZPSIMGJQ-VIFPVBQESA-N -1 3 395.196 3.573 20 0 GHADHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837505050 1024513012 /nfs/dbraw/zinc/51/30/12/1024513012.db2.gz FRDNWWDSBVAQDQ-UHFFFAOYSA-N -1 3 385.807 3.654 20 0 GHADHM COc1ccc(Nc2nc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cs2)cc1 ZINC000837545121 1024541240 /nfs/dbraw/zinc/54/12/40/1024541240.db2.gz BGCSGDHEXWEKLI-UHFFFAOYSA-N -1 3 398.444 3.625 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000837563106 1024554671 /nfs/dbraw/zinc/55/46/71/1024554671.db2.gz XGOZBTWPJNVTBJ-LBPRGKRZSA-N -1 3 385.445 3.679 20 0 GHADHM CC(C)[C@H](CO)O[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001141345487 1024643055 /nfs/dbraw/zinc/64/30/55/1024643055.db2.gz JVCXQLRJEVPHGC-FQEVSTJZSA-N -1 3 384.451 3.971 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC[C@@H](Oc4cnccn4)C3)cc2)c1 ZINC001141360711 1024711404 /nfs/dbraw/zinc/71/14/04/1024711404.db2.gz HUYUSHMCVMTSSX-OAQYLSRUSA-N -1 3 389.455 3.885 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)Cc2ncccc2[O-])CC1 ZINC001138396902 1024774132 /nfs/dbraw/zinc/77/41/32/1024774132.db2.gz ROPOXQVULQPTAV-UHFFFAOYSA-N -1 3 398.507 3.584 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCCNC(=O)OC(C)(C)C)sc1Cl ZINC000831713425 1024774916 /nfs/dbraw/zinc/77/49/16/1024774916.db2.gz RUGFLBKTHQZILQ-LLVKDONJSA-N -1 3 396.962 3.682 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c(Cl)c1Cl ZINC000832149356 1025260399 /nfs/dbraw/zinc/26/03/99/1025260399.db2.gz WNXBWWVDDOQZCQ-LLVKDONJSA-N -1 3 393.119 3.864 20 0 GHADHM C[C@@H]1Cc2cccc(Br)c2CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139097340 1025908373 /nfs/dbraw/zinc/90/83/73/1025908373.db2.gz YYLGJPWNOZBEKA-GFCCVEGCSA-N -1 3 384.281 3.576 20 0 GHADHM CCNC(=O)c1cc(Cl)nc([N-][C@@H](c2ccccc2OC)C(F)(F)F)n1 ZINC001162902184 1025959630 /nfs/dbraw/zinc/95/96/30/1025959630.db2.gz KIRAQDGPNZSVFK-ZDUSSCGKSA-N -1 3 388.777 3.604 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Cl)ccc2Br)c1 ZINC001163085765 1026037096 /nfs/dbraw/zinc/03/70/96/1026037096.db2.gz ZFFDNPRXZRNKMB-UHFFFAOYSA-N -1 3 397.656 3.697 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)c1[O-] ZINC001141651461 1026074452 /nfs/dbraw/zinc/07/44/52/1026074452.db2.gz JEMQESDMDAFBGX-NSHDSACASA-N -1 3 382.338 3.880 20 0 GHADHM C[C@H]1CCC[C@H](C)N1c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001163549931 1026232525 /nfs/dbraw/zinc/23/25/25/1026232525.db2.gz IGVOQFBEAREOJA-STQMWFEESA-N -1 3 381.448 3.928 20 0 GHADHM CC(C)c1c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cnn1-c1cccc(Cl)c1 ZINC001164320788 1026483294 /nfs/dbraw/zinc/48/32/94/1026483294.db2.gz DJTOLZJXLCQWDY-ZDUSSCGKSA-N -1 3 399.882 3.708 20 0 GHADHM CCCCCCOc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC001164321609 1026484598 /nfs/dbraw/zinc/48/45/98/1026484598.db2.gz IVZNRRCWWZDNIZ-MRXNPFEDSA-N -1 3 387.480 3.713 20 0 GHADHM Cc1ccc(-c2csc3ncnc(NCCCc4c[n-][nH]c4=O)c23)cc1C ZINC001164371723 1026497067 /nfs/dbraw/zinc/49/70/67/1026497067.db2.gz FZBWPGBNWUORTR-OAHLLOKOSA-N -1 3 379.489 3.899 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001166115056 1026922078 /nfs/dbraw/zinc/92/20/78/1026922078.db2.gz WSWVBGRAHMUGOM-FRRDWIJNSA-N -1 3 389.899 3.995 20 0 GHADHM C[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)[C@@H]1C ZINC001166613607 1027040077 /nfs/dbraw/zinc/04/00/77/1027040077.db2.gz GDPSIIINPNENJB-CHWSQXEVSA-N -1 3 381.448 3.785 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1csnc1-c1ccccc1 ZINC001209780130 1027188422 /nfs/dbraw/zinc/18/84/22/1027188422.db2.gz PVRYSQDCWYHMHK-KRWDZBQOSA-N -1 3 399.541 3.757 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc3ccccc3c2)CCCC1 ZINC001209927912 1027279181 /nfs/dbraw/zinc/27/91/81/1027279181.db2.gz QNJCUOXSFSYFNN-UHFFFAOYSA-N -1 3 389.517 3.914 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1cccc(Cl)c1 ZINC001210131106 1027351985 /nfs/dbraw/zinc/35/19/85/1027351985.db2.gz LJWDUPUMNITWHI-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)c(C)c1Cl ZINC001210786747 1027652813 /nfs/dbraw/zinc/65/28/13/1027652813.db2.gz UFIDYVFXBIEPPP-JTQLQIEISA-N -1 3 379.931 3.744 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccc(Br)c1F ZINC001211102392 1027788046 /nfs/dbraw/zinc/78/80/46/1027788046.db2.gz HCLRIVVSVJIQFB-ISTRZQFTSA-N -1 3 396.281 3.595 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)c(F)c1F ZINC001211363120 1027920194 /nfs/dbraw/zinc/92/01/94/1027920194.db2.gz CLSJPDWBQHLIGF-UHFFFAOYSA-N -1 3 380.460 3.742 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1Cl ZINC001211466812 1027974071 /nfs/dbraw/zinc/97/40/71/1027974071.db2.gz FRRSJPYTMDATGW-WCABBAIRSA-N -1 3 379.931 3.600 20 0 GHADHM COc1cc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc(C(F)(F)F)c1 ZINC001213258665 1028073660 /nfs/dbraw/zinc/07/36/60/1028073660.db2.gz AFSWBLALZOKYGW-UHFFFAOYSA-N -1 3 378.310 3.804 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccns1 ZINC001213304327 1028099025 /nfs/dbraw/zinc/09/90/25/1028099025.db2.gz VCFWXOITOOEKQM-ZETCQYMHSA-N -1 3 381.704 3.599 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1Cl ZINC001213377840 1028149507 /nfs/dbraw/zinc/14/95/07/1028149507.db2.gz KZSZRPWLHPHBRC-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2)cc1 ZINC001213381982 1028152402 /nfs/dbraw/zinc/15/24/02/1028152402.db2.gz SYBHIHZMXCGMKG-UHFFFAOYSA-N -1 3 376.384 3.829 20 0 GHADHM Cc1cccc(C(=O)N2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)c1 ZINC001142114582 1028154912 /nfs/dbraw/zinc/15/49/12/1028154912.db2.gz KDLMAXMWAWKBPA-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(CC(F)(F)F)nc1)c1ccccc1N ZINC001213922444 1028452054 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COc1ccc(-c2noc(-c3cc(OC)ccc3[O-])n2)c(Br)c1 ZINC001215155340 1029065234 /nfs/dbraw/zinc/06/52/34/1029065234.db2.gz JHNSSISVGVWKMN-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM CN(C)c1ncc(-c2noc(-c3cc([O-])ccc3Cl)n2)cc1Br ZINC001215348143 1029166366 /nfs/dbraw/zinc/16/63/66/1029166366.db2.gz QIOYVUXMCRCQBQ-UHFFFAOYSA-N -1 3 395.644 3.986 20 0 GHADHM COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2C(=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC001142669617 1029235141 /nfs/dbraw/zinc/23/51/41/1029235141.db2.gz SYFSMQNUVWZBNO-MSOLQXFVSA-N -1 3 391.826 3.566 20 0 GHADHM [O-]c1cc(F)c(Nc2ncc(Br)nc2Br)cc1F ZINC001215569890 1029287625 /nfs/dbraw/zinc/28/76/25/1029287625.db2.gz IPPYEJVAKMABFS-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2N)ccc1N ZINC001216044861 1029506290 /nfs/dbraw/zinc/50/62/90/1029506290.db2.gz IZTDAWKBCWYUKD-UHFFFAOYSA-N -1 3 384.299 3.538 20 0 GHADHM Cc1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1Br ZINC001216107712 1029526711 /nfs/dbraw/zinc/52/67/11/1029526711.db2.gz 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Cc1nc2ccccc2c(C(=O)Nc2cnc(NC(=O)OC(C)(C)C)cn2)c1[O-] ZINC001149190436 1030084149 /nfs/dbraw/zinc/08/41/49/1030084149.db2.gz MCVFYDCHWLIQLZ-UHFFFAOYSA-N -1 3 395.419 3.638 20 0 GHADHM CCOc1ccc2ccccc2c1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001149679199 1030268479 /nfs/dbraw/zinc/26/84/79/1030268479.db2.gz LAXILOKFOVIMPB-UHFFFAOYSA-N -1 3 375.384 3.845 20 0 GHADHM COc1cc(Br)cnc1-c1noc(-c2[n-]nc3c2cccc3F)n1 ZINC001217323223 1030309751 /nfs/dbraw/zinc/30/97/51/1030309751.db2.gz PVQZCQYLPPKXSF-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4cccnc4C)no3)c1[O-])CCCC2 ZINC001217447972 1030401908 /nfs/dbraw/zinc/40/19/08/1030401908.db2.gz XJALRZLLSFGMCC-UHFFFAOYSA-N -1 3 379.416 3.868 20 0 GHADHM CC1(C)CC(=O)c2ccc(-c3noc(-c4ccc5[nH][n-]c(=O)c5c4)n3)cc2O1 ZINC001217473386 1030422521 /nfs/dbraw/zinc/42/25/21/1030422521.db2.gz IUIXMESGUFKELX-UHFFFAOYSA-N -1 3 376.372 3.729 20 0 GHADHM Cc1ccc2ncc([O-])c(-c3nc(-c4ccccc4N4CCOCC4)no3)c2c1 ZINC001217500579 1030444041 /nfs/dbraw/zinc/44/40/41/1030444041.db2.gz CADOCVDIIQPGTE-UHFFFAOYSA-N -1 3 388.427 3.802 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)n1 ZINC001150195428 1030444567 /nfs/dbraw/zinc/44/45/67/1030444567.db2.gz YMWLPMVDIUKCAQ-UHFFFAOYSA-N -1 3 398.426 3.574 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(F)c(Cl)cc4F)no3)c21 ZINC001217511572 1030454204 /nfs/dbraw/zinc/45/42/04/1030454204.db2.gz AKLSQACOQSZRRT-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM CC(C)C(=O)N1CCCc2sc(C(=O)[N-]c3cc(CC(C)(C)C)no3)nc21 ZINC001150335050 1030493763 /nfs/dbraw/zinc/49/37/63/1030493763.db2.gz IBSAWZQMBFPSAG-UHFFFAOYSA-N -1 3 390.509 3.907 20 0 GHADHM COCc1ccc(CNC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)cc1 ZINC001150476968 1030538839 /nfs/dbraw/zinc/53/88/39/1030538839.db2.gz MVXFMYLAPHPMTP-UHFFFAOYSA-N -1 3 390.361 3.623 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3CCC(=O)CC3(C)C)nc21 ZINC001223405098 1030558950 /nfs/dbraw/zinc/55/89/50/1030558950.db2.gz XTJHWGKWWMNSFR-SCLBCKFNSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3CCC(=O)CC3(C)C)[n-]c21 ZINC001223405098 1030558955 /nfs/dbraw/zinc/55/89/55/1030558955.db2.gz XTJHWGKWWMNSFR-SCLBCKFNSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001217637952 1030561624 /nfs/dbraw/zinc/56/16/24/1030561624.db2.gz XXKCHSRMQNKAHB-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001150755364 1030642112 /nfs/dbraw/zinc/64/21/12/1030642112.db2.gz OBBVEDBWCUTCNC-QGZVFWFLSA-N -1 3 394.393 3.565 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccc(SC)cc1 ZINC001151231762 1030816776 /nfs/dbraw/zinc/81/67/76/1030816776.db2.gz QPPBTMHCAQKWNA-UHFFFAOYSA-N -1 3 396.472 3.953 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1c(C)noc1C ZINC001151370222 1030884610 /nfs/dbraw/zinc/88/46/10/1030884610.db2.gz VZQYWVUMPWSYNZ-NSHDSACASA-N -1 3 380.470 3.976 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(F)c2c1OCCC2=O 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20 0 GHADHM O=C(Nc1csnc1-c1ccccc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001219160031 1031278204 /nfs/dbraw/zinc/27/82/04/1031278204.db2.gz NPTTWXCVDCMIKE-UHFFFAOYSA-N -1 3 377.433 3.558 20 0 GHADHM O=C(Nc1csnc1-c1ccccc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001219160031 1031278216 /nfs/dbraw/zinc/27/82/16/1031278216.db2.gz NPTTWXCVDCMIKE-UHFFFAOYSA-N -1 3 377.433 3.558 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001152843908 1031375113 /nfs/dbraw/zinc/37/51/13/1031375113.db2.gz BQUIJOHFSCXPNA-STQMWFEESA-N -1 3 380.510 3.584 20 0 GHADHM O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1[O-] ZINC001152995839 1031424696 /nfs/dbraw/zinc/42/46/96/1031424696.db2.gz UJTRVHZSHKZFNZ-UHFFFAOYSA-N -1 3 394.302 3.850 20 0 GHADHM COc1ccc(OC)c(CCCNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001153520207 1031631492 /nfs/dbraw/zinc/63/14/92/1031631492.db2.gz XJQRYIVHXIKMFN-UHFFFAOYSA-N -1 3 394.265 3.535 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CC1 ZINC001225852080 1031653567 /nfs/dbraw/zinc/65/35/67/1031653567.db2.gz BQDFUEDYOCPONG-JTQLQIEISA-N -1 3 393.431 3.953 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153882030 1031790438 /nfs/dbraw/zinc/79/04/38/1031790438.db2.gz XWDJZCAATJQUSO-JTQLQIEISA-N -1 3 385.208 3.598 20 0 GHADHM COc1cc2oc(C(=O)[N-]c3noc4cnccc34)cc2cc1Br ZINC001153909100 1031807080 /nfs/dbraw/zinc/80/70/80/1031807080.db2.gz GULPUYUGJIWJMN-UHFFFAOYSA-N -1 3 388.177 3.992 20 0 GHADHM COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1ccc(C(C)C)cc1[O-])C2 ZINC001153992373 1031861433 /nfs/dbraw/zinc/86/14/33/1031861433.db2.gz RIRYUIJIRBFVJA-UHFFFAOYSA-N -1 3 383.444 3.509 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccccc2)CCCCCC1 ZINC001226367783 1031932613 /nfs/dbraw/zinc/93/26/13/1031932613.db2.gz UCNCNOXPMCYZSA-UHFFFAOYSA-N -1 3 395.429 3.915 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3c3ccccc3)[n-]c2c1 ZINC001154120689 1031936966 /nfs/dbraw/zinc/93/69/66/1031936966.db2.gz QVNDKMAGZKRSMY-JXULPDFHSA-N -1 3 388.467 3.849 20 0 GHADHM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCCN(Cc4ccccc4F)C3)c12 ZINC001226484595 1031976602 /nfs/dbraw/zinc/97/66/02/1031976602.db2.gz GGFJNDFPSWMLTP-QGZVFWFLSA-N -1 3 383.419 3.990 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(OC3CCN(CC(=O)c4cccs4)CC3)cc12 ZINC001226532483 1031999044 /nfs/dbraw/zinc/99/90/44/1031999044.db2.gz RELCAXCKUKQBSO-UHFFFAOYSA-N -1 3 399.468 3.595 20 0 GHADHM O=C1CCCN1c1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000315620027 1031999618 /nfs/dbraw/zinc/99/96/18/1031999618.db2.gz SSCDECWFWDREHB-UHFFFAOYSA-N -1 3 375.266 3.571 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596511 1032032338 /nfs/dbraw/zinc/03/23/38/1032032338.db2.gz LEPJPWKQECSIBR-ZFWWWQNUSA-N -1 3 393.411 3.615 20 0 GHADHM Cc1c(-c2ccccc2)nsc1NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154313340 1032038565 /nfs/dbraw/zinc/03/85/65/1032038565.db2.gz RGKDXWSNTJNKSK-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM Cc1c(-c2ccccc2)nsc1NC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154313340 1032038579 /nfs/dbraw/zinc/03/85/79/1032038579.db2.gz RGKDXWSNTJNKSK-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COc1cccc([O-])c1C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC001154319114 1032039914 /nfs/dbraw/zinc/03/99/14/1032039914.db2.gz XEUQZLVJNYGQDC-UHFFFAOYSA-N -1 3 376.250 3.625 20 0 GHADHM CCOC(=O)[C@@H]1C[C@@H](Oc2cccc([O-])c2Br)c2ccccc2O1 ZINC001229143255 1033304604 /nfs/dbraw/zinc/30/46/04/1033304604.db2.gz UVRXXSFSWKYTTH-CVEARBPZSA-N -1 3 393.233 3.989 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c(C)cccc2[O-])c(C)cc1Br ZINC001156992405 1033361016 /nfs/dbraw/zinc/36/10/16/1033361016.db2.gz KDVPKPFZWDWAEZ-UHFFFAOYSA-N -1 3 378.222 3.810 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1ccc(F)c(Br)c1 ZINC001229337335 1033423352 /nfs/dbraw/zinc/42/33/52/1033423352.db2.gz DVNGYQVGXIFZDS-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1ccc(F)c(Br)c1 ZINC001229337335 1033423359 /nfs/dbraw/zinc/42/33/59/1033423359.db2.gz DVNGYQVGXIFZDS-VIFPVBQESA-N -1 3 393.216 3.917 20 0 GHADHM CC(=O)NCCN(Cc1ccc([O-])c(F)c1)Cc1ccc(Cl)cc1Cl ZINC001205527026 1033454041 /nfs/dbraw/zinc/45/40/41/1033454041.db2.gz PEKXJZVILNOKHM-UHFFFAOYSA-N -1 3 385.266 3.976 20 0 GHADHM Cc1cccc2cc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c(Cl)nc12 ZINC001157232076 1033483863 /nfs/dbraw/zinc/48/38/63/1033483863.db2.gz ARJKAYAKTIWUOM-MRVPVSSYSA-N -1 3 383.761 3.825 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157234453 1033485662 /nfs/dbraw/zinc/48/56/62/1033485662.db2.gz QIADBAMRAXYIDG-NEPJUHHUSA-N -1 3 384.402 3.900 20 0 GHADHM COc1ccc(-c2noc(-c3cccc(OC)c3[O-])n2)cc1Br ZINC000324124978 1033657434 /nfs/dbraw/zinc/65/74/34/1033657434.db2.gz OJGHJKUTBQLCBM-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001157556593 1033657740 /nfs/dbraw/zinc/65/77/40/1033657740.db2.gz CPEAJOLKKFEDJD-UHFFFAOYSA-N -1 3 384.476 3.803 20 0 GHADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC2CCN(CCF)CC2)c1 ZINC001229809632 1033732596 /nfs/dbraw/zinc/73/25/96/1033732596.db2.gz CQKZKIHMYNDXCR-UHFFFAOYSA-N -1 3 375.440 3.878 20 0 GHADHM COc1ccccc1[C@H](C)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230189381 1033936319 /nfs/dbraw/zinc/93/63/19/1033936319.db2.gz QNJCQFMTOPVXSY-INIZCTEOSA-N -1 3 391.471 3.889 20 0 GHADHM COC(=O)c1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)c([O-])c(OC)c1 ZINC001158245670 1033985725 /nfs/dbraw/zinc/98/57/25/1033985725.db2.gz LDNQUIZKBFCHKF-UHFFFAOYSA-N -1 3 389.370 3.885 20 0 GHADHM COC(=O)[C@H](CC1CCCCC1)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001158282603 1034002322 /nfs/dbraw/zinc/00/23/22/1034002322.db2.gz JKMPFJOHBYEVIC-JTQLQIEISA-N -1 3 379.860 3.570 20 0 GHADHM [O-]c1cccnc1CNc1nc(-c2ccccn2)c(-c2ccccn2)nc1Cl ZINC001158776430 1034270270 /nfs/dbraw/zinc/27/02/70/1034270270.db2.gz XANRSTYDPHRTAZ-UHFFFAOYSA-N -1 3 390.834 3.967 20 0 GHADHM Cc1ccc(C2=NO[C@@H](CNCc3cccc([O-])c3Br)C2)cc1 ZINC001207395867 1034340597 /nfs/dbraw/zinc/34/05/97/1034340597.db2.gz XUOXIHXFIITQQA-OAHLLOKOSA-N -1 3 375.266 3.746 20 0 GHADHM Clc1cc2nc(OC[C@H]3CN(Cc4ccccc4)CCO3)[n-]c2c(Cl)n1 ZINC001231045301 1034361345 /nfs/dbraw/zinc/36/13/45/1034361345.db2.gz UZLUWCZFLJZBIR-CYBMUJFWSA-N -1 3 393.274 3.545 20 0 GHADHM c1ccc(C(c2ccccc2)N2CC(Oc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC001231117276 1034408160 /nfs/dbraw/zinc/40/81/60/1034408160.db2.gz YXSHSCDTYMLTOZ-UHFFFAOYSA-N -1 3 383.455 3.719 20 0 GHADHM Cc1ccc2[nH]cc(CCNC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)c2c1 ZINC001159213867 1034487799 /nfs/dbraw/zinc/48/77/99/1034487799.db2.gz CZPZWLDKXKPHGZ-UHFFFAOYSA-N -1 3 381.382 3.569 20 0 GHADHM COc1cc(C)c(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1OC ZINC001159363676 1034564533 /nfs/dbraw/zinc/56/45/33/1034564533.db2.gz PBQQXMCVRSZCSH-UHFFFAOYSA-N -1 3 398.488 3.983 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc(C(=O)[O-])ccc3F)CC[C@@H]2C1 ZINC001231456923 1034600455 /nfs/dbraw/zinc/60/04/55/1034600455.db2.gz JYEKFFYOYBRFIO-IYBDPMFKSA-N -1 3 392.471 3.603 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c1 ZINC001231459473 1034601993 /nfs/dbraw/zinc/60/19/93/1034601993.db2.gz MVIDSEAPQIYAIK-UHFFFAOYSA-N -1 3 396.462 3.652 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)s1 ZINC001231463120 1034607441 /nfs/dbraw/zinc/60/74/41/1034607441.db2.gz XEAYGSXSAMGFOL-UHFFFAOYSA-N -1 3 396.306 3.692 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC001159551923 1034661412 /nfs/dbraw/zinc/66/14/12/1034661412.db2.gz RJFFRHSTQMEFHG-UHFFFAOYSA-N -1 3 393.262 3.760 20 0 GHADHM O=C1CCC2(CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)N1CC1CC1 ZINC001231521734 1034671754 /nfs/dbraw/zinc/67/17/54/1034671754.db2.gz HTARYQDHOHPXHO-UHFFFAOYSA-N -1 3 382.426 3.778 20 0 GHADHM Cn1cc2c(n1)CN(Cc1ccc([O-])c(C(F)(F)F)c1)C[C@H]2COCC1CC1 ZINC001231522715 1034673345 /nfs/dbraw/zinc/67/33/45/1034673345.db2.gz RZVJMBYVYNDAHC-HNNXBMFYSA-N -1 3 395.425 3.671 20 0 GHADHM COC[C@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2nn(CC3CC3)cc21 ZINC001231523397 1034675446 /nfs/dbraw/zinc/67/54/46/1034675446.db2.gz SVHVJVZDYOHFNK-OAHLLOKOSA-N -1 3 395.425 3.763 20 0 GHADHM [O-]c1ccc(CN2CCC(Oc3ccc(Cl)nn3)CC2)cc1C(F)(F)F ZINC001231526326 1034679401 /nfs/dbraw/zinc/67/94/01/1034679401.db2.gz OLEZQWTXURSIJN-UHFFFAOYSA-N -1 3 387.789 3.898 20 0 GHADHM CCCn1cncc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001461914416 1069878216 /nfs/dbraw/zinc/87/82/16/1069878216.db2.gz CATNAYURWRRXNY-UHFFFAOYSA-N -1 3 398.532 3.726 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)C2CC2)c(F)c1 ZINC001208182227 1034779378 /nfs/dbraw/zinc/77/93/78/1034779378.db2.gz CBKQPMPIOICDFC-LJQANCHMSA-N -1 3 391.464 3.740 20 0 GHADHM CC(C)=CCN1CC[C@@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277549392 1034827408 /nfs/dbraw/zinc/82/74/08/1034827408.db2.gz ZWLLNFLMNFILOO-IBGZPJMESA-N -1 3 393.325 3.688 20 0 GHADHM O=C1N(C2CCCC2)CC[C@]12CCCN2Cc1ccc(Br)c([O-])c1 ZINC001277551416 1034837671 /nfs/dbraw/zinc/83/76/71/1034837671.db2.gz LZNPPSIVRBZYJM-LJQANCHMSA-N -1 3 393.325 3.664 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC001208386228 1034878561 /nfs/dbraw/zinc/87/85/61/1034878561.db2.gz ZLZRWHSZIFTNBY-JQWIXIFHSA-N -1 3 396.372 3.693 20 0 GHADHM COc1ccc(CN2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cc1C(=O)[O-] ZINC001231753490 1034883015 /nfs/dbraw/zinc/88/30/15/1034883015.db2.gz OXSXOQVZLUNUIH-WMZHIEFXSA-N -1 3 381.472 3.932 20 0 GHADHM CCc1cccc(C(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001160191090 1034897400 /nfs/dbraw/zinc/89/74/00/1034897400.db2.gz UBIUVBNAZWOFHA-UHFFFAOYSA-N -1 3 376.497 3.816 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC001208476799 1034909442 /nfs/dbraw/zinc/90/94/42/1034909442.db2.gz JHWDZXCYSHPASU-JTQLQIEISA-N -1 3 392.315 3.868 20 0 GHADHM COC[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1cccc(Cl)c1 ZINC001160783644 1035066244 /nfs/dbraw/zinc/06/62/44/1035066244.db2.gz OFBCHYYOPVTUOQ-MRXNPFEDSA-N -1 3 391.254 3.952 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCc4cc(Br)ccc43)n[n-]2)o1 ZINC001160949267 1035101830 /nfs/dbraw/zinc/10/18/30/1035101830.db2.gz UTTOAXBRBDEBOH-CYBMUJFWSA-N -1 3 387.237 3.804 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(C)(C)c1ccccc1 ZINC001209136050 1035188315 /nfs/dbraw/zinc/18/83/15/1035188315.db2.gz ALAHSEOYOFXSLU-LLVKDONJSA-N -1 3 395.937 3.989 20 0 GHADHM CCCCN1CC[C@]2(CCN(Cc3c(Br)ccc([O-])c3F)C2)C1=O ZINC001276624551 1035208246 /nfs/dbraw/zinc/20/82/46/1035208246.db2.gz SGLKUNAQPNESFB-SFHVURJKSA-N -1 3 399.304 3.518 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001209289655 1035232543 /nfs/dbraw/zinc/23/25/43/1035232543.db2.gz WKPMATCBFICEJZ-JTQLQIEISA-N -1 3 378.441 3.634 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnn(C2CCCC2)c1 ZINC001209299325 1035235413 /nfs/dbraw/zinc/23/54/13/1035235413.db2.gz CHIIQRYDYSLWTH-UHFFFAOYSA-N -1 3 379.258 3.788 20 0 GHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(CCC(C)C)cc1)c1ccccc1 ZINC001209333231 1035244416 /nfs/dbraw/zinc/24/44/16/1035244416.db2.gz QANHDDZZDROXHN-NRFANRHFSA-N -1 3 389.517 3.642 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c2c1=O ZINC001161520680 1035248572 /nfs/dbraw/zinc/24/85/72/1035248572.db2.gz AQWIDJYVPDIAAP-UHFFFAOYSA-N -1 3 398.772 3.977 20 0 GHADHM COc1ccc(C(=O)[O-])cc1-c1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001242393005 1035898503 /nfs/dbraw/zinc/89/85/03/1035898503.db2.gz JSOQVBSZEHYJKU-UHFFFAOYSA-N -1 3 386.467 3.726 20 0 GHADHM O=C(NCc1nc(-c2cc(F)c(Cl)cc2Cl)no1)c1ccccc1[O-] ZINC001248499679 1035917493 /nfs/dbraw/zinc/91/74/93/1035917493.db2.gz MKYVHGPWGAKBEO-UHFFFAOYSA-N -1 3 382.178 3.818 20 0 GHADHM O=C(NCc1nc(-c2ccc(F)c(C(F)(F)F)c2)no1)c1ccccc1[O-] ZINC001248499694 1035917647 /nfs/dbraw/zinc/91/76/47/1035917647.db2.gz NBTRVXVJUXZHGH-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM CC(C)(C)OC(=O)n1ccc(-c2cccc(Nc3ccc(C(N)=O)c([O-])c3)c2)n1 ZINC001248640967 1036021469 /nfs/dbraw/zinc/02/14/69/1036021469.db2.gz FLHBBVOVFZHUJL-UHFFFAOYSA-N -1 3 394.431 3.881 20 0 GHADHM O=C([O-])c1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc1C(F)(F)F ZINC001243157438 1036049031 /nfs/dbraw/zinc/04/90/31/1036049031.db2.gz QXBPXMOHBDKFBI-SFHVURJKSA-N -1 3 390.361 3.984 20 0 GHADHM CCOc1ccc(F)c(-c2cc(-c3nnn[n-]3)ccc2F)c1Br ZINC001243257449 1036082016 /nfs/dbraw/zinc/08/20/16/1036082016.db2.gz ODGMXMUPXZLLMF-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCOc1ccc(F)c(-c2cc(-c3nn[n-]n3)ccc2F)c1Br ZINC001243257449 1036082039 /nfs/dbraw/zinc/08/20/39/1036082039.db2.gz ODGMXMUPXZLLMF-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(-c2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC001243260323 1036086144 /nfs/dbraw/zinc/08/61/44/1036086144.db2.gz OXXIUPGVMCDTFQ-UHFFFAOYSA-N -1 3 379.464 3.805 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(-c2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC001243260323 1036086165 /nfs/dbraw/zinc/08/61/65/1036086165.db2.gz OXXIUPGVMCDTFQ-UHFFFAOYSA-N -1 3 379.464 3.805 20 0 GHADHM CON(C)C(=O)c1ccc(NC(=O)C(C)(C)C)c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244506070 1036524764 /nfs/dbraw/zinc/52/47/64/1036524764.db2.gz BUADYEFQCHAMCB-UHFFFAOYSA-N -1 3 389.427 3.520 20 0 GHADHM Cc1cc(-c2ccccc2-c2cn(S(=O)(=O)N(C)C)cn2)cc(Cl)c1[O-] ZINC001244550338 1036539916 /nfs/dbraw/zinc/53/99/16/1036539916.db2.gz BBMRWTMAQACIEU-UHFFFAOYSA-N -1 3 391.880 3.539 20 0 GHADHM O=C1C=C([O-])CC(c2nc(-c3cc(F)c(Br)cc3Cl)no2)C1 ZINC001247546309 1038243072 /nfs/dbraw/zinc/24/30/72/1038243072.db2.gz FIVUGXWNCAWRHB-UHFFFAOYSA-N -1 3 387.592 3.697 20 0 GHADHM Cc1cccc(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)c1Cl ZINC001247692035 1038331150 /nfs/dbraw/zinc/33/11/50/1038331150.db2.gz ZGVURJXWUDKQCD-NSHDSACASA-N -1 3 390.793 3.547 20 0 GHADHM Cc1cnc2n1CCC21CCN(Cc2cc(F)c([O-])c(Br)c2)CC1 ZINC001232631321 1038417543 /nfs/dbraw/zinc/41/75/43/1038417543.db2.gz GSIMZGXIAQDETB-UHFFFAOYSA-N -1 3 394.288 3.736 20 0 GHADHM O=C(c1ccsc1)N1CCC2(CCN(Cc3ccc(F)c([O-])c3F)C2)CC1 ZINC001232935388 1038716088 /nfs/dbraw/zinc/71/60/88/1038716088.db2.gz HANYRUQGELQFKJ-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232936810 1038718402 /nfs/dbraw/zinc/71/84/02/1038718402.db2.gz WMVNPQQIDDTPKB-OAHLLOKOSA-N -1 3 378.463 3.579 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232970878 1038743171 /nfs/dbraw/zinc/74/31/71/1038743171.db2.gz XVGZIIWUSQFCGS-LJQANCHMSA-N -1 3 378.444 3.751 20 0 GHADHM [O-]c1cccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1F ZINC001233051934 1038808760 /nfs/dbraw/zinc/80/87/60/1038808760.db2.gz ZDTZKGGYLQHJLJ-SFHVURJKSA-N -1 3 385.483 3.664 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)c1F ZINC001233052469 1038811406 /nfs/dbraw/zinc/81/14/06/1038811406.db2.gz NIWANGNBNHSMTK-NQIIRXRSSA-N -1 3 390.430 3.516 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)cc1 ZINC001252043922 1038829112 /nfs/dbraw/zinc/82/91/12/1038829112.db2.gz QUOOSBUUOIHENF-UHFFFAOYSA-N -1 3 382.485 3.936 20 0 GHADHM O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001462319247 1070167461 /nfs/dbraw/zinc/16/74/61/1070167461.db2.gz IVHPJZTWSFGKOX-UHFFFAOYSA-N -1 3 382.807 3.616 20 0 GHADHM CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394635 1039227228 /nfs/dbraw/zinc/22/72/28/1039227228.db2.gz UUIXFWQRNPEOCU-UHFFFAOYSA-N -1 3 391.462 3.760 20 0 GHADHM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395334 1039230809 /nfs/dbraw/zinc/23/08/09/1039230809.db2.gz UJYLVPBKLFAKCS-UHFFFAOYSA-N -1 3 396.441 3.791 20 0 GHADHM COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c(Cl)c1[O-] ZINC001233399143 1039239112 /nfs/dbraw/zinc/23/91/12/1039239112.db2.gz MHCYXJKINRSFBO-IAGOWNOFSA-N -1 3 386.879 3.824 20 0 GHADHM COc1ccc(CN2CCC[C@@H](Oc3ncccc3OC)C2)c(Cl)c1[O-] ZINC001233401702 1039242947 /nfs/dbraw/zinc/24/29/47/1039242947.db2.gz KOKDQEWQFHIFHB-CQSZACIVSA-N -1 3 378.856 3.501 20 0 GHADHM COc1cccc(O[C@H]2CCCN(Cc3ccc(OC)c([O-])c3Cl)C2)n1 ZINC001233401985 1039246468 /nfs/dbraw/zinc/24/64/68/1039246468.db2.gz WTTDQIRQXVNJGT-AWEZNQCLSA-N -1 3 378.856 3.501 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ccccc2C(F)(F)F)[n-]1 ZINC001462392555 1070223098 /nfs/dbraw/zinc/22/30/98/1070223098.db2.gz NYJRLRBWERYKLT-CQSZACIVSA-N -1 3 384.402 3.877 20 0 GHADHM CCCCN1CC[C@]2(CCN(Cc3cc(F)c([O-])c(Br)c3)C2)C1=O ZINC001277830691 1039821499 /nfs/dbraw/zinc/82/14/99/1039821499.db2.gz RRCKELBLIVENPB-SFHVURJKSA-N -1 3 399.304 3.518 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1c(Cl)ccc([O-])c1F)CCO2 ZINC001234262612 1039943260 /nfs/dbraw/zinc/94/32/60/1039943260.db2.gz APEPOUADIFNGOV-NSHDSACASA-N -1 3 387.835 3.732 20 0 GHADHM O=C(c1cccnc1Cl)N1CCC(Oc2c(Cl)ccc([O-])c2F)CC1 ZINC001234263521 1039943672 /nfs/dbraw/zinc/94/36/72/1039943672.db2.gz CQFDTBMINXAQPY-UHFFFAOYSA-N -1 3 385.222 3.917 20 0 GHADHM CCC(=O)[C@H]1C[C@@H](Oc2c([O-])cc(Cl)cc2F)CN1C(=O)OC(C)(C)C ZINC001234448715 1040041141 /nfs/dbraw/zinc/04/11/41/1040041141.db2.gz XJRZKDZJMDJLAN-DGCLKSJQSA-N -1 3 387.835 3.921 20 0 GHADHM [O-]c1cc(I)cc(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC001254212602 1040068569 /nfs/dbraw/zinc/06/85/69/1040068569.db2.gz LVUPLRBHNIGYDR-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692924 1040225628 /nfs/dbraw/zinc/22/56/28/1040225628.db2.gz RPWBGFVCXFXKDU-ARFHVFGLSA-N -1 3 383.448 3.768 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1-n1cnc(C)c1 ZINC001254958221 1040690104 /nfs/dbraw/zinc/69/01/04/1040690104.db2.gz AIGMARBHXSKQSO-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1ccc(F)c(Cl)c1 ZINC001254966976 1040695988 /nfs/dbraw/zinc/69/59/88/1040695988.db2.gz FOOZMJYGSVDBSS-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM COc1ccccc1[C@H]1CN(Cc2cccc([O-])c2Br)CCO1 ZINC001462510109 1070313198 /nfs/dbraw/zinc/31/31/98/1070313198.db2.gz DFQOBBLUSQDBHK-QGZVFWFLSA-N -1 3 378.266 3.737 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Br)c1 ZINC001256067184 1041504527 /nfs/dbraw/zinc/50/45/27/1041504527.db2.gz GLBIIUUAAYJCMN-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C2(C(F)(F)F)N=N2)cc1)c1ccc(F)cc1F ZINC001256098214 1041525805 /nfs/dbraw/zinc/52/58/05/1041525805.db2.gz IQCMFESUPCMAKQ-UHFFFAOYSA-N -1 3 391.321 3.624 20 0 GHADHM CC(=O)N1CCCCC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236686045 1041831754 /nfs/dbraw/zinc/83/17/54/1041831754.db2.gz RWRGTTNNTDBINN-UHFFFAOYSA-N -1 3 381.314 3.522 20 0 GHADHM C[C@H]1CN(Cc2ccc(Br)c([O-])c2)CCC[C@@]1(O)C(F)(F)F ZINC001236692503 1041834823 /nfs/dbraw/zinc/83/48/23/1041834823.db2.gz RKPBTZJIQVDCDK-HZMBPMFUSA-N -1 3 382.220 3.680 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc(Br)c([O-])c1 ZINC001236693682 1041835772 /nfs/dbraw/zinc/83/57/72/1041835772.db2.gz CUPNDFYXUGAWMX-KBPBESRZSA-N -1 3 397.313 3.738 20 0 GHADHM Cc1cc(Br)ccc1N1CCN(Cc2ccc(F)c([O-])c2)CC1 ZINC001236707536 1041845276 /nfs/dbraw/zinc/84/52/76/1041845276.db2.gz HRDMSYQNRMOSSX-UHFFFAOYSA-N -1 3 379.273 3.924 20 0 GHADHM O=C(NC1CCN(Cc2ccc(F)c([O-])c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001236714083 1041850484 /nfs/dbraw/zinc/85/04/84/1041850484.db2.gz QVRCNRRLIZZHJF-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM O=C1C[C@]2(CN1CC1CCCC1)CCCCN2Cc1cc(Cl)ncc1[O-] ZINC001278055170 1042047410 /nfs/dbraw/zinc/04/74/10/1042047410.db2.gz BBPVBCMSCATPQE-FQEVSTJZSA-N -1 3 377.916 3.588 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)s1 ZINC001237147769 1042064335 /nfs/dbraw/zinc/06/43/35/1042064335.db2.gz BQIXYKLCWPCLOP-UHFFFAOYSA-N -1 3 390.871 3.699 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCCN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237155710 1042067610 /nfs/dbraw/zinc/06/76/10/1042067610.db2.gz RJNBHENQXJGONG-INIZCTEOSA-N -1 3 375.922 3.629 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CC(c3ncn4cc(Br)ccc34)C2)s1 ZINC001237164680 1042073581 /nfs/dbraw/zinc/07/35/81/1042073581.db2.gz KQCLVXAKJUEDSS-UHFFFAOYSA-N -1 3 399.701 3.512 20 0 GHADHM COC(=O)N1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)CC1 ZINC001237525047 1042250759 /nfs/dbraw/zinc/25/07/59/1042250759.db2.gz JWNUAIWGSVESLF-UHFFFAOYSA-N -1 3 388.295 3.538 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(Cl)cc(F)cc2Cl)CC1 ZINC001237603669 1042278236 /nfs/dbraw/zinc/27/82/36/1042278236.db2.gz WCXQQIKBHNDXBY-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM CC(C)(C[NH3+])c1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC001237650596 1042304402 /nfs/dbraw/zinc/30/44/02/1042304402.db2.gz OOSONYYJEPQDFU-UHFFFAOYSA-N -1 3 389.304 3.736 20 0 GHADHM CN(Cc1cc(F)c([O-])c(Cl)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237993541 1042448395 /nfs/dbraw/zinc/44/83/95/1042448395.db2.gz STRCDOYGMNLPPB-KRWDZBQOSA-N -1 3 378.875 3.518 20 0 GHADHM CCN(Cc1cc(F)c([O-])c(Cl)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237995669 1042449733 /nfs/dbraw/zinc/44/97/33/1042449733.db2.gz SHMOEOMADHMWNC-SFHVURJKSA-N -1 3 392.902 3.908 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@H]2C1 ZINC001237998666 1042451096 /nfs/dbraw/zinc/45/10/96/1042451096.db2.gz VPSPYTFZKHGTSR-KBPBESRZSA-N -1 3 384.879 3.874 20 0 GHADHM O=C(NCc1ccco1)c1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001240100351 1042888540 /nfs/dbraw/zinc/88/85/40/1042888540.db2.gz HRRJGANLDWYEQJ-UHFFFAOYSA-N -1 3 379.363 3.974 20 0 GHADHM O=C(Nc1ccc(CN2CCCC2=O)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001291565647 1043345834 /nfs/dbraw/zinc/34/58/34/1043345834.db2.gz DTVFEXDLZKPWKM-UHFFFAOYSA-N -1 3 395.846 3.556 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC001291991441 1043557023 /nfs/dbraw/zinc/55/70/23/1043557023.db2.gz USGZQQGRYUSNRG-UHFFFAOYSA-N -1 3 387.779 3.594 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001292435451 1043733172 /nfs/dbraw/zinc/73/31/72/1043733172.db2.gz UCILOIGOTBXYDX-GOSISDBHSA-N -1 3 384.501 3.978 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)COC1)c1cccc(Cl)c1Cl ZINC001257284742 1043955215 /nfs/dbraw/zinc/95/52/15/1043955215.db2.gz PKORSVTZSYJSPB-UHFFFAOYSA-N -1 3 392.691 3.851 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccccc1 ZINC001257508056 1044027191 /nfs/dbraw/zinc/02/71/91/1044027191.db2.gz GONWFBVFKDCVBN-LBPRGKRZSA-N -1 3 379.334 3.636 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)cnc1Br ZINC001257557195 1044040741 /nfs/dbraw/zinc/04/07/41/1044040741.db2.gz WCCDFNYXIYQYEJ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(C)n(Cc2ccc(-c3nnc(-c4c(C)cc(O)cc4[O-])o3)cc2)n1 ZINC001258002074 1044330336 /nfs/dbraw/zinc/33/03/36/1044330336.db2.gz OOMFZEIEKUZDKE-UHFFFAOYSA-N -1 3 376.416 3.985 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1CCC(C)(C)CC1 ZINC001293933601 1044388836 /nfs/dbraw/zinc/38/88/36/1044388836.db2.gz UFLDQGJIDKKEQL-UHFFFAOYSA-N -1 3 395.459 3.691 20 0 GHADHM O=C(NC[C@@H]1SCCc2ccccc21)c1cc([O-])cc(Br)c1 ZINC001294121074 1044481400 /nfs/dbraw/zinc/48/14/00/1044481400.db2.gz DAJKSNKPMJYSOX-INIZCTEOSA-N -1 3 378.291 3.915 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(CC)CC ZINC001294130693 1044487132 /nfs/dbraw/zinc/48/71/32/1044487132.db2.gz MWZJOBVVQABPQF-DLBZAZTESA-N -1 3 378.419 3.520 20 0 GHADHM C[C@@H](CC(C)(C)SCc1ccco1)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001258294335 1044495972 /nfs/dbraw/zinc/49/59/72/1044495972.db2.gz IPLYUPKPBDUHDF-VIFPVBQESA-N -1 3 380.495 3.640 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(C)(C)C ZINC001462835944 1070584555 /nfs/dbraw/zinc/58/45/55/1070584555.db2.gz BROSVOIZTSGWGZ-QGZVFWFLSA-N -1 3 397.443 3.817 20 0 GHADHM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001294968642 1044858737 /nfs/dbraw/zinc/85/87/37/1044858737.db2.gz LOTHWNFAZMWLMV-FQEVSTJZSA-N -1 3 393.458 3.703 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(F)cccc1C(F)(F)F ZINC001258939161 1044896428 /nfs/dbraw/zinc/89/64/28/1044896428.db2.gz HQTOCIMJAFEUKK-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001295049381 1044901452 /nfs/dbraw/zinc/90/14/52/1044901452.db2.gz IDZGMKJFGMVQOZ-UHFFFAOYSA-N -1 3 394.858 3.683 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(F)cc(F)c1Cl)C(=O)C2 ZINC001258973145 1044913182 /nfs/dbraw/zinc/91/31/82/1044913182.db2.gz WGKJEOXQZPYQBV-FVMDXXJSSA-N -1 3 377.840 3.755 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc3ocnc3cc1Cl)C(=O)C2 ZINC001258973573 1044913544 /nfs/dbraw/zinc/91/35/44/1044913544.db2.gz LAPGDUTVCBMMQU-BTDLBPIBSA-N -1 3 382.869 3.618 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccc1F)c1ccc(Br)s1 ZINC001259059023 1044941070 /nfs/dbraw/zinc/94/10/70/1044941070.db2.gz PDCMDZJLRUOCHU-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(Br)c1 ZINC001259071185 1044946756 /nfs/dbraw/zinc/94/67/56/1044946756.db2.gz HEGXEIIKPFCYRC-UHFFFAOYSA-N -1 3 390.249 3.941 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1ccc(F)c(F)c1F ZINC001259074030 1044948839 /nfs/dbraw/zinc/94/88/39/1044948839.db2.gz CMFKNXVXGCVJCN-UHFFFAOYSA-N -1 3 375.130 3.746 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)cc1C ZINC001259166908 1044987726 /nfs/dbraw/zinc/98/77/26/1044987726.db2.gz CRJMBDFIJYEEKB-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1F ZINC001259204488 1045006294 /nfs/dbraw/zinc/00/62/94/1045006294.db2.gz REYQYFDFBOTEML-UHFFFAOYSA-N -1 3 379.331 3.842 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NCC(C)C)ccc1Cl ZINC001259301218 1045065028 /nfs/dbraw/zinc/06/50/28/1045065028.db2.gz WWSGNWDFXHPILL-UHFFFAOYSA-N -1 3 396.896 3.535 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Br ZINC001259312176 1045071650 /nfs/dbraw/zinc/07/16/50/1045071650.db2.gz VKVSZLGSCJJGOI-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(C)(C)COc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259357532 1045098659 /nfs/dbraw/zinc/09/86/59/1045098659.db2.gz KEQINHSKZYNTQO-UHFFFAOYSA-N -1 3 379.453 3.986 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(OC(F)F)c3)cc2)n1 ZINC001259445544 1045161656 /nfs/dbraw/zinc/16/16/56/1045161656.db2.gz IYKDQEQOWCJUSR-UHFFFAOYSA-N -1 3 393.415 3.891 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(Cl)c1)C1CC1)c1cccc(Cl)c1F ZINC001259472926 1045184724 /nfs/dbraw/zinc/18/47/24/1045184724.db2.gz FOYREOIONKBVAI-HNNXBMFYSA-N -1 3 375.252 3.957 20 0 GHADHM COc1ccc(OC(C)(C)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001295978979 1045204826 /nfs/dbraw/zinc/20/48/26/1045204826.db2.gz KZBJMMDTFHEPIT-UHFFFAOYSA-N -1 3 380.238 3.959 20 0 GHADHM O=S(=O)([N-]c1cc2nsnc2cc1Cl)c1cc(F)c(F)c(F)c1 ZINC001259501625 1045206365 /nfs/dbraw/zinc/20/63/65/1045206365.db2.gz QUHAISDSANDSIL-UHFFFAOYSA-N -1 3 379.772 3.563 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(Cl)cc21)c1cc(F)c(F)c(F)c1 ZINC001259505518 1045209148 /nfs/dbraw/zinc/20/91/48/1045209148.db2.gz OKHQUBJULZFBIE-ZDUSSCGKSA-N -1 3 377.771 3.559 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1Cl)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001259505024 1045209729 /nfs/dbraw/zinc/20/97/29/1045209729.db2.gz CIWBCDLGAXEOKX-CQSZACIVSA-N -1 3 376.787 3.582 20 0 GHADHM O=S(=O)([N-]Cc1ccsc1Br)c1ccc(Cl)cc1F ZINC001259513325 1045214688 /nfs/dbraw/zinc/21/46/88/1045214688.db2.gz FQIJUMCUMDACEA-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1Cl)C1CC1)c1ccc(Cl)cc1F ZINC001259515362 1045216481 /nfs/dbraw/zinc/21/64/81/1045216481.db2.gz FULJJYDWVHGDQM-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC001259543573 1045226446 /nfs/dbraw/zinc/22/64/46/1045226446.db2.gz VFHXJNLELWHWFE-UHFFFAOYSA-N -1 3 391.468 3.953 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001462899562 1070640367 /nfs/dbraw/zinc/64/03/67/1070640367.db2.gz HVOQBVSODIDSBV-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)CCc2cccc(F)c2)c1N1CCCCC1=O ZINC001259774636 1045297974 /nfs/dbraw/zinc/29/79/74/1045297974.db2.gz HGZAQDSAAYMAPT-UHFFFAOYSA-N -1 3 390.480 3.635 20 0 GHADHM CCCOc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(C)c1 ZINC001296333398 1045300660 /nfs/dbraw/zinc/30/06/60/1045300660.db2.gz BCKXNMUKKCQFDB-UHFFFAOYSA-N -1 3 386.398 3.834 20 0 GHADHM COc1cccc(OCCC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC001296511297 1045329941 /nfs/dbraw/zinc/32/99/41/1045329941.db2.gz DIZUGNVDQFYIHQ-UHFFFAOYSA-N -1 3 398.228 3.614 20 0 GHADHM CCc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1[O-] ZINC001296553639 1045336449 /nfs/dbraw/zinc/33/64/49/1045336449.db2.gz RJZDBKMLCFWERE-OAHLLOKOSA-N -1 3 392.377 3.509 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cc(Cl)ccc1CO ZINC001260033088 1045364503 /nfs/dbraw/zinc/36/45/03/1045364503.db2.gz DXYUBUKSSVPQPL-UHFFFAOYSA-N -1 3 379.787 3.793 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC001260033567 1045364910 /nfs/dbraw/zinc/36/49/10/1045364910.db2.gz VGTAQQNGMUQVFN-UHFFFAOYSA-N -1 3 375.343 3.989 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001260136316 1045391812 /nfs/dbraw/zinc/39/18/12/1045391812.db2.gz QFBABLBXAZPJGH-INIZCTEOSA-N -1 3 381.379 3.520 20 0 GHADHM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(Oc2ccccn2)cc1 ZINC001260145638 1045396027 /nfs/dbraw/zinc/39/60/27/1045396027.db2.gz GEXUMSGWBODRQF-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC001260160296 1045402922 /nfs/dbraw/zinc/40/29/22/1045402922.db2.gz IPTTUIWFWUIUFH-UHFFFAOYSA-N -1 3 386.517 3.921 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1cccnc1 ZINC001260255432 1045430223 /nfs/dbraw/zinc/43/02/23/1045430223.db2.gz HUQGOKMBBXESMS-CYBMUJFWSA-N -1 3 391.237 3.552 20 0 GHADHM Cc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001260256073 1045430754 /nfs/dbraw/zinc/43/07/54/1045430754.db2.gz PVPMJLXCVSGCFX-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c(Cl)c1 ZINC001260297373 1045449512 /nfs/dbraw/zinc/44/95/12/1045449512.db2.gz AHEMBVQHBUOZFK-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM CCOc1ccnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1 ZINC001260433402 1045493881 /nfs/dbraw/zinc/49/38/81/1045493881.db2.gz VRYNDSJPVXCVCU-UHFFFAOYSA-N -1 3 395.695 3.919 20 0 GHADHM CSCCO[N-]C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001297358798 1045502870 /nfs/dbraw/zinc/50/28/70/1045502870.db2.gz IDLNFYQXTJJRMV-UHFFFAOYSA-N -1 3 394.537 3.664 20 0 GHADHM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc(OC)c1 ZINC001260465670 1045506077 /nfs/dbraw/zinc/50/60/77/1045506077.db2.gz FCCZKYNMLCOVCZ-UHFFFAOYSA-N -1 3 382.290 3.551 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)cc1C ZINC001260638582 1045584743 /nfs/dbraw/zinc/58/47/43/1045584743.db2.gz QPNQWSYJLMUCKY-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2C)cc1F ZINC001260655459 1045594778 /nfs/dbraw/zinc/59/47/78/1045594778.db2.gz IRKRYMDIUHDKAA-UHFFFAOYSA-N -1 3 379.331 3.842 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2F)cc1F ZINC001260662535 1045598235 /nfs/dbraw/zinc/59/82/35/1045598235.db2.gz KOFBSYVZEDWTJB-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(Cn4cccn4)c3)ccc2O1 ZINC001260717791 1045623397 /nfs/dbraw/zinc/62/33/97/1045623397.db2.gz MSSWZPJBZKEFCC-UHFFFAOYSA-N -1 3 397.500 3.836 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(C)cc(C)nc1Br ZINC001260765222 1045646191 /nfs/dbraw/zinc/64/61/91/1045646191.db2.gz GACVCAHWXGLGFA-UHFFFAOYSA-N -1 3 399.310 3.887 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC001260817985 1045684391 /nfs/dbraw/zinc/68/43/91/1045684391.db2.gz BGOTWFFLMQAIOY-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM C[C@@H](CCc1ccc(I)cc1)CC(=O)[N-]OC1CCC1 ZINC001298075878 1045696690 /nfs/dbraw/zinc/69/66/90/1045696690.db2.gz OKDVPZZRBROSQI-LBPRGKRZSA-N -1 3 387.261 3.850 20 0 GHADHM O=C1CCc2cccc([N-]S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)c2N1 ZINC001260896945 1045753180 /nfs/dbraw/zinc/75/31/80/1045753180.db2.gz CPMAEJSCXWLKSG-UHFFFAOYSA-N -1 3 384.379 3.532 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)c1ccccc1 ZINC001462957263 1070689978 /nfs/dbraw/zinc/68/99/78/1070689978.db2.gz WIUOCRRTCLHXAN-CQSZACIVSA-N -1 3 393.480 3.647 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)cc1Cl ZINC001260975619 1045792415 /nfs/dbraw/zinc/79/24/15/1045792415.db2.gz LGPNULINRXCRRL-AWEZNQCLSA-N -1 3 395.786 3.636 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC001260983083 1045798190 /nfs/dbraw/zinc/79/81/90/1045798190.db2.gz XUYTZUHLQPKTRC-UHFFFAOYSA-N -1 3 387.501 3.924 20 0 GHADHM C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001462966080 1070696662 /nfs/dbraw/zinc/69/66/62/1070696662.db2.gz ZGGGIHNLVJWCQY-LBPRGKRZSA-N -1 3 385.316 3.723 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC001261012237 1045831611 /nfs/dbraw/zinc/83/16/11/1045831611.db2.gz HRCZCHWOULMARQ-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ncccc12)c1ccc(F)cc1C(F)(F)F ZINC001261011346 1045832367 /nfs/dbraw/zinc/83/23/67/1045832367.db2.gz NEADNGVGIYMCSY-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cn1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC001261013438 1045834526 /nfs/dbraw/zinc/83/45/26/1045834526.db2.gz ANFFEAUPXGPCRX-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462972952 1070701577 /nfs/dbraw/zinc/70/15/77/1070701577.db2.gz BREFAUBPVFRLRB-UWVGGRQHSA-N -1 3 381.723 3.602 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC001261019293 1045843628 /nfs/dbraw/zinc/84/36/28/1045843628.db2.gz PFVMKZDOJPMQMN-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC001298513224 1045844726 /nfs/dbraw/zinc/84/47/26/1045844726.db2.gz JBUSENWKTYDMEO-AWEZNQCLSA-N -1 3 376.206 3.703 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)N1CCc2ccccc21 ZINC001298514012 1045845379 /nfs/dbraw/zinc/84/53/79/1045845379.db2.gz RGJXBGONLDFNMS-GFCCVEGCSA-N -1 3 375.266 3.853 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cnnc(Cl)c2Cl)ccc1Br ZINC001261044099 1045862780 /nfs/dbraw/zinc/86/27/80/1045862780.db2.gz KMVANQPEGNZAEG-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1Cl ZINC001261060914 1045880096 /nfs/dbraw/zinc/88/00/96/1045880096.db2.gz JRUVUISHCOADJC-MRVPVSSYSA-N -1 3 394.301 3.881 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC001261065340 1045884909 /nfs/dbraw/zinc/88/49/09/1045884909.db2.gz OOGMWGMUMMZXLV-GFCCVEGCSA-N -1 3 399.921 3.587 20 0 GHADHM O=S(=O)([N-]CC1CCC(C(F)(F)F)CC1)c1ccc(Cl)c2nonc21 ZINC001261074168 1045890026 /nfs/dbraw/zinc/89/00/26/1045890026.db2.gz GELSIJXEOUXRTF-UHFFFAOYSA-N -1 3 397.806 3.523 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC001261081828 1045896494 /nfs/dbraw/zinc/89/64/94/1045896494.db2.gz LEFBCHHLBSMJKN-UHFFFAOYSA-N -1 3 392.235 4.000 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000560849045 1045911578 /nfs/dbraw/zinc/91/15/78/1045911578.db2.gz XPFQWXYLVRGNBR-CYBMUJFWSA-N -1 3 380.680 3.659 20 0 GHADHM COc1ccc([C@@H](Cc2ccccc2)NC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001261211199 1045922455 /nfs/dbraw/zinc/92/24/55/1045922455.db2.gz MTDDHOJSBJJICU-OAQYLSRUSA-N -1 3 391.471 3.532 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3ccccc3Cl)CC2)c(Cl)c1 ZINC001299817779 1046052798 /nfs/dbraw/zinc/05/27/98/1046052798.db2.gz GZGUQMMKJLAODL-UHFFFAOYSA-N -1 3 399.299 3.784 20 0 GHADHM Cc1cccc(CO[N-]C(=O)CCCOc2ccccc2Br)n1 ZINC001301634881 1046634240 /nfs/dbraw/zinc/63/42/40/1046634240.db2.gz HPVPFRHMGLGQEY-UHFFFAOYSA-N -1 3 379.254 3.560 20 0 GHADHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC001463121898 1070818557 /nfs/dbraw/zinc/81/85/57/1070818557.db2.gz BXLGOEKZTFRQSY-UHFFFAOYSA-N -1 3 386.286 3.726 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)c(-c2ccccc2)s1 ZINC001463129258 1070832402 /nfs/dbraw/zinc/83/24/02/1070832402.db2.gz AYCGESFLNRYXOR-LLVKDONJSA-N -1 3 377.491 3.763 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC(C)(C)c3cc(Cl)ccc32)c([O-])c1 ZINC001302207864 1046876957 /nfs/dbraw/zinc/87/69/57/1046876957.db2.gz XTHUIMLVOUEENU-UHFFFAOYSA-N -1 3 386.879 3.798 20 0 GHADHM CCOc1nc(NC(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC001302693393 1047045860 /nfs/dbraw/zinc/04/58/60/1047045860.db2.gz VNPDVMIIDHKRGK-UHFFFAOYSA-N -1 3 382.207 3.726 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)n1 ZINC001302693393 1047045874 /nfs/dbraw/zinc/04/58/74/1047045874.db2.gz VNPDVMIIDHKRGK-UHFFFAOYSA-N -1 3 382.207 3.726 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1cccs1 ZINC001264330396 1047318539 /nfs/dbraw/zinc/31/85/39/1047318539.db2.gz GPDZYAPDCPIZIF-NSHDSACASA-N -1 3 388.823 3.617 20 0 GHADHM COC(=O)c1nc(C(=O)[N-]c2c(F)cccc2NC(=O)OC(C)(C)C)cs1 ZINC001303471838 1047399254 /nfs/dbraw/zinc/39/92/54/1047399254.db2.gz JJFNQDVMGVXDOR-UHFFFAOYSA-N -1 3 395.412 3.668 20 0 GHADHM COC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(OC)c3[O-])cc2)ccn1 ZINC001303676681 1047476105 /nfs/dbraw/zinc/47/61/05/1047476105.db2.gz OCAJKEAAPFJOMI-UHFFFAOYSA-N -1 3 394.383 3.627 20 0 GHADHM CCc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC001304131963 1047595179 /nfs/dbraw/zinc/59/51/79/1047595179.db2.gz MGHHIQDVFCZXLZ-SSDOTTSWSA-N -1 3 391.191 3.639 20 0 GHADHM C[C@@H](NC(=O)c1csc(NC2CCCCC2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131306 1047595448 /nfs/dbraw/zinc/59/54/48/1047595448.db2.gz GUXQAALTJDSSQT-MRVPVSSYSA-N -1 3 388.419 3.516 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)ccc2c1 ZINC001304133459 1047596162 /nfs/dbraw/zinc/59/61/62/1047596162.db2.gz WROBNZVIPBUXPF-SOZJPDODSA-N -1 3 390.365 3.876 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3c(ccnc3Cl)s2)c([O-])c(OC)c1 ZINC001304504553 1047695122 /nfs/dbraw/zinc/69/51/22/1047695122.db2.gz FIZLJSWFTKILLB-UHFFFAOYSA-N -1 3 392.820 3.703 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)cc1F ZINC001304568875 1047716216 /nfs/dbraw/zinc/71/62/16/1047716216.db2.gz ZZESEKOGTTXYGT-UHFFFAOYSA-N -1 3 399.397 3.961 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)cc1F ZINC001304568875 1047716218 /nfs/dbraw/zinc/71/62/18/1047716218.db2.gz ZZESEKOGTTXYGT-UHFFFAOYSA-N -1 3 399.397 3.961 20 0 GHADHM CCc1cccc2c(CC[N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)c[nH]c21 ZINC001463268362 1070951238 /nfs/dbraw/zinc/95/12/38/1070951238.db2.gz UGPHBHCXNWWMTF-UHFFFAOYSA-N -1 3 398.315 3.953 20 0 GHADHM [O-]c1cc(CN2CC3(CCN3CCCC(F)(F)F)C2)ccc1Br ZINC001279651288 1047894280 /nfs/dbraw/zinc/89/42/80/1047894280.db2.gz DRIALISVEIMNGK-UHFFFAOYSA-N -1 3 393.247 3.757 20 0 GHADHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC001463309785 1070978494 /nfs/dbraw/zinc/97/84/94/1070978494.db2.gz RTEZEJKCVDKDQE-OAHLLOKOSA-N -1 3 393.908 3.655 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280503626 1048231904 /nfs/dbraw/zinc/23/19/04/1048231904.db2.gz JWCKGLDVLDVNEN-BXUZGUMPSA-N -1 3 381.885 3.517 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280503626 1048231908 /nfs/dbraw/zinc/23/19/08/1048231908.db2.gz JWCKGLDVLDVNEN-BXUZGUMPSA-N -1 3 381.885 3.517 20 0 GHADHM COC(=O)c1oc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)cc1C ZINC001306739808 1048857318 /nfs/dbraw/zinc/85/73/18/1048857318.db2.gz VPSUBTLBSUJFLE-UHFFFAOYSA-N -1 3 395.165 3.637 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC001306836551 1048921083 /nfs/dbraw/zinc/92/10/83/1048921083.db2.gz ORAGZTVEISEVHF-GOSISDBHSA-N -1 3 381.831 3.827 20 0 GHADHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001306838099 1048921996 /nfs/dbraw/zinc/92/19/96/1048921996.db2.gz CBMLQADLLZNMML-CYBMUJFWSA-N -1 3 389.721 3.658 20 0 GHADHM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001306839984 1048923068 /nfs/dbraw/zinc/92/30/68/1048923068.db2.gz YMRRHIHMJIDPOD-GFCCVEGCSA-N -1 3 399.451 3.802 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001306878955 1048940306 /nfs/dbraw/zinc/94/03/06/1048940306.db2.gz KJPJMUKSGUYALE-CYBMUJFWSA-N -1 3 394.290 3.867 20 0 GHADHM O=C(c1ccc2ccc(Br)cc2c1)N1CCCc2c(=O)[n-]cnc21 ZINC001288087980 1048980070 /nfs/dbraw/zinc/98/00/70/1048980070.db2.gz IIJSNXSQXCVMOP-UHFFFAOYSA-N -1 3 384.233 3.691 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2ncsc2C(F)(F)F)c1Cl ZINC001288827474 1049235681 /nfs/dbraw/zinc/23/56/81/1049235681.db2.gz ALKRIUYUSJBRAJ-UHFFFAOYSA-N -1 3 382.722 3.993 20 0 GHADHM CC[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)cc1 ZINC001289108178 1049326733 /nfs/dbraw/zinc/32/67/33/1049326733.db2.gz VIJINSVQMOOPSZ-LBPRGKRZSA-N -1 3 375.226 3.960 20 0 GHADHM COc1cccc(Oc2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)nc2)c1 ZINC001289108871 1049326816 /nfs/dbraw/zinc/32/68/16/1049326816.db2.gz ZMVDONXFYXLWPW-UHFFFAOYSA-N -1 3 377.360 3.513 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1ccccn1 ZINC001308992939 1050253702 /nfs/dbraw/zinc/25/37/02/1050253702.db2.gz KPZMGGBTRRZSCX-SNVBAGLBSA-N -1 3 381.251 3.630 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N(C)C)cc1F ZINC001309011424 1050271075 /nfs/dbraw/zinc/27/10/75/1050271075.db2.gz IHULKEGDJKPNPD-MRXNPFEDSA-N -1 3 388.867 3.508 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c(C(F)(F)F)c1 ZINC001309129386 1050386622 /nfs/dbraw/zinc/38/66/22/1050386622.db2.gz DGNFQDKMXWLPQP-UHFFFAOYSA-N -1 3 395.349 3.779 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2Cl)C(C)C)c(F)c1 ZINC001309187264 1050446755 /nfs/dbraw/zinc/44/67/55/1050446755.db2.gz JSAXUVJSRNDVGZ-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001309206652 1050472869 /nfs/dbraw/zinc/47/28/69/1050472869.db2.gz RKPXWYFWTVBSEP-NSHDSACASA-N -1 3 398.750 3.894 20 0 GHADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001328391102 1050491472 /nfs/dbraw/zinc/49/14/72/1050491472.db2.gz RDRKVPWTWZHOCS-LLVKDONJSA-N -1 3 378.281 3.680 20 0 GHADHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309238434 1050506200 /nfs/dbraw/zinc/50/62/00/1050506200.db2.gz QPMOLULLJQSLRT-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)N(C)C)cc1F ZINC001309257331 1050527679 /nfs/dbraw/zinc/52/76/79/1050527679.db2.gz LSJWCYHIZFNRTA-MRXNPFEDSA-N -1 3 388.867 3.508 20 0 GHADHM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C ZINC001309275439 1050545194 /nfs/dbraw/zinc/54/51/94/1050545194.db2.gz SHGOXMWRHUPJOP-OLZOCXBDSA-N -1 3 381.325 3.651 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(CC)c3)n2)cc1 ZINC001309307501 1050578140 /nfs/dbraw/zinc/57/81/40/1050578140.db2.gz ORINWWIHSZBQGN-CQSZACIVSA-N -1 3 385.489 3.901 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C)CCCc2ccccc21 ZINC001309340124 1050610495 /nfs/dbraw/zinc/61/04/95/1050610495.db2.gz KOKQQDKACJNTOQ-LJQANCHMSA-N -1 3 393.892 3.657 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001309408992 1050691024 /nfs/dbraw/zinc/69/10/24/1050691024.db2.gz UPCSXUWVFVZHLH-DZGCQCFKSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C ZINC001329200335 1050746091 /nfs/dbraw/zinc/74/60/91/1050746091.db2.gz BQQSVRBDDOHXQW-UHFFFAOYSA-N -1 3 386.452 3.717 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC001309471909 1050746852 /nfs/dbraw/zinc/74/68/52/1050746852.db2.gz YCXWNQYDDRQPQU-DLBZAZTESA-N -1 3 386.498 3.653 20 0 GHADHM Cc1csc(-c2nnc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)o2)c1 ZINC001329293637 1050771110 /nfs/dbraw/zinc/77/11/10/1050771110.db2.gz SLIITKLRHDBBEC-UHFFFAOYSA-N -1 3 381.454 3.599 20 0 GHADHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(Br)s2)ccc1Cl ZINC001309526550 1050785160 /nfs/dbraw/zinc/78/51/60/1050785160.db2.gz YBQVCAXZHCVDFW-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001309581395 1050832131 /nfs/dbraw/zinc/83/21/31/1050832131.db2.gz HNRGCCCRKHLZCM-CHWSQXEVSA-N -1 3 385.835 3.985 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001309821945 1050990399 /nfs/dbraw/zinc/99/03/99/1050990399.db2.gz JWZXIGWOVZUGJH-AEGPPILISA-N -1 3 398.937 3.699 20 0 GHADHM CCOC(=O)[C@@H](C[C@H](C)CC)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001309854210 1051006030 /nfs/dbraw/zinc/00/60/30/1051006030.db2.gz CGQQJPQAVUTWPS-IAQYHMDHSA-N -1 3 396.336 3.781 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001330502039 1051017617 /nfs/dbraw/zinc/01/76/17/1051017617.db2.gz BEAXZSDLFPHQTD-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2cccc3cccc1c32 ZINC001309879432 1051019975 /nfs/dbraw/zinc/01/99/75/1051019975.db2.gz RZWBKNYITZWHBV-KRWDZBQOSA-N -1 3 399.443 3.731 20 0 GHADHM CCCCC1([N-]S(=O)(=O)c2cc(Br)cc(F)c2OC)CC1 ZINC001309937023 1051057651 /nfs/dbraw/zinc/05/76/51/1051057651.db2.gz DECJAYRTYRUMSQ-UHFFFAOYSA-N -1 3 380.279 3.598 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCCC1)c1cccc(OC(F)(F)F)c1F ZINC001309959571 1051073107 /nfs/dbraw/zinc/07/31/07/1051073107.db2.gz IBXRWYJEPMNCQG-RYUDHWBXSA-N -1 3 381.391 3.829 20 0 GHADHM COc1cc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc(OC)c1C(C)C ZINC001310480913 1051386946 /nfs/dbraw/zinc/38/69/46/1051386946.db2.gz XURVGACZIDGBFT-UHFFFAOYSA-N -1 3 396.451 3.575 20 0 GHADHM COc1cc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc(OC)c1C(C)C ZINC001310480913 1051386972 /nfs/dbraw/zinc/38/69/72/1051386972.db2.gz XURVGACZIDGBFT-UHFFFAOYSA-N -1 3 396.451 3.575 20 0 GHADHM COc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cc1Cl ZINC001334011497 1051885780 /nfs/dbraw/zinc/88/57/80/1051885780.db2.gz YCOBRQWIDYXFIY-CABCVRRESA-N -1 3 381.806 3.927 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1csc(-c2ccccn2)n1 ZINC001336917250 1052364174 /nfs/dbraw/zinc/36/41/74/1052364174.db2.gz PHLFCLHWXIJEQP-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001317803061 1054261248 /nfs/dbraw/zinc/26/12/48/1054261248.db2.gz DCOUJDHRGDLXHC-HXUWFJFHSA-N -1 3 381.863 3.982 20 0 GHADHM COc1cc([C@@H](C)NC(=O)CCc2c(C)nc[n-]c2=O)ccc1OC1CCCC1 ZINC001317895972 1054295582 /nfs/dbraw/zinc/29/55/82/1054295582.db2.gz JMZIRVVERRLJSJ-CQSZACIVSA-N -1 3 399.491 3.631 20 0 GHADHM CC/C=C/CNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC001344400053 1054428583 /nfs/dbraw/zinc/42/85/83/1054428583.db2.gz CCVHXLTUFQIZEN-AATRIKPKSA-N -1 3 393.336 3.624 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC001318219348 1054508850 /nfs/dbraw/zinc/50/88/50/1054508850.db2.gz WUPZTSIETFEUSX-UHFFFAOYSA-N -1 3 397.397 3.546 20 0 GHADHM CC(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC(F)(F)CC1 ZINC001344847430 1054771607 /nfs/dbraw/zinc/77/16/07/1054771607.db2.gz IRRXHTRERXINFG-UHFFFAOYSA-N -1 3 392.454 3.600 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2CC2CC2)cc(=O)[n-]1 ZINC001345804481 1055266737 /nfs/dbraw/zinc/26/67/37/1055266737.db2.gz GAXXOHCPVCVXDU-MRXNPFEDSA-N -1 3 382.493 3.562 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2CC2CC2)cc(=O)[n-]1 ZINC001345804669 1055267516 /nfs/dbraw/zinc/26/75/16/1055267516.db2.gz HXHKZEUDQVMFCS-OAHLLOKOSA-N -1 3 382.493 3.562 20 0 GHADHM CSc1ccc(C)c(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001319827937 1055493056 /nfs/dbraw/zinc/49/30/56/1055493056.db2.gz JHUPKLOFEMGAEB-UHFFFAOYSA-N -1 3 397.497 3.549 20 0 GHADHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1ccc(Br)s1 ZINC001319946874 1055556657 /nfs/dbraw/zinc/55/66/57/1055556657.db2.gz XNBZLNOXJJCIJO-UHFFFAOYSA-N -1 3 375.627 3.909 20 0 GHADHM CC(=O)NCc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1 ZINC001320097692 1055652535 /nfs/dbraw/zinc/65/25/35/1055652535.db2.gz GCLGHILMCYFJDF-UHFFFAOYSA-N -1 3 376.445 3.528 20 0 GHADHM CC(C)(C)c1ccc(Cc2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC001320194994 1055701714 /nfs/dbraw/zinc/70/17/14/1055701714.db2.gz GIEJBIMUILPYHK-UHFFFAOYSA-N -1 3 385.489 3.996 20 0 GHADHM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC001354028339 1056260628 /nfs/dbraw/zinc/26/06/28/1056260628.db2.gz WYLJJLCRCTXWJC-OAQYLSRUSA-N -1 3 380.488 3.927 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC[C@H]3C(=O)OC(C)(C)C)c2)n1 ZINC001354078043 1056321334 /nfs/dbraw/zinc/32/13/34/1056321334.db2.gz IKQWPWIDWHGHLN-DLBZAZTESA-N -1 3 397.475 3.718 20 0 GHADHM COc1ccc(CN(C(=O)c2nnc3ccccc3c2[O-])[C@@H](C)C2CC2)cc1 ZINC000848101873 1056625010 /nfs/dbraw/zinc/62/50/10/1056625010.db2.gz RBXRHHVLWORILA-AWEZNQCLSA-N -1 3 377.444 3.785 20 0 GHADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001322435259 1056703314 /nfs/dbraw/zinc/70/33/14/1056703314.db2.gz XPZGELLJRAQBKZ-UHFFFAOYSA-N -1 3 381.281 3.728 20 0 GHADHM Cc1ccccc1Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC001322454587 1056711628 /nfs/dbraw/zinc/71/16/28/1056711628.db2.gz HOLIGAUBYJEBPE-CYBMUJFWSA-N -1 3 391.880 3.662 20 0 GHADHM COCc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC001200815330 1056980825 /nfs/dbraw/zinc/98/08/25/1056980825.db2.gz HERSNGFCYAVLCF-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001323734607 1057006479 /nfs/dbraw/zinc/00/64/79/1057006479.db2.gz JFQPYMRXYKLLPG-ZDUSSCGKSA-N -1 3 378.469 3.641 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)s1 ZINC001324304915 1057108894 /nfs/dbraw/zinc/10/88/94/1057108894.db2.gz BKAZRZLJDYOIIX-UHFFFAOYSA-N -1 3 395.412 3.974 20 0 GHADHM Cc1nc(-c2nnc(N([C@@H](C)c3ccccc3Cl)C3CC3)n2C)cc(=O)[n-]1 ZINC001355360441 1057131414 /nfs/dbraw/zinc/13/14/14/1057131414.db2.gz UVKCQEJNGJOYEK-NSHDSACASA-N -1 3 384.871 3.670 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)c([O-])c1 ZINC001325467921 1057331297 /nfs/dbraw/zinc/33/12/97/1057331297.db2.gz DWBVSCXPJIKPKM-OAHLLOKOSA-N -1 3 386.452 3.598 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)c([O-])c1 ZINC001325467920 1057331463 /nfs/dbraw/zinc/33/14/63/1057331463.db2.gz DWBVSCXPJIKPKM-HNNXBMFYSA-N -1 3 386.452 3.598 20 0 GHADHM Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC001356308914 1057467290 /nfs/dbraw/zinc/46/72/90/1057467290.db2.gz ZEBMSBQMQHBNHP-UHFFFAOYSA-N -1 3 377.379 3.681 20 0 GHADHM CN(C)c1nc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)s1 ZINC001356497047 1057529062 /nfs/dbraw/zinc/52/90/62/1057529062.db2.gz SDCMHYZARXHBBY-UHFFFAOYSA-N -1 3 383.264 3.553 20 0 GHADHM Cn1ncc2c1CCC[C@@H]2Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001337726576 1058238236 /nfs/dbraw/zinc/23/82/36/1058238236.db2.gz LYCMHRAUFXKRJV-IBGZPJMESA-N -1 3 382.489 3.710 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)C3C(C)(C)C3(C)C)[n-]c2c(Br)c1 ZINC001440029841 1058392551 /nfs/dbraw/zinc/39/25/51/1058392551.db2.gz RZTOPNLOQKMAPN-UHFFFAOYSA-N -1 3 394.269 3.733 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001440910349 1058656580 /nfs/dbraw/zinc/65/65/80/1058656580.db2.gz WYXAFCFKJCPJDN-AAEUAGOBSA-N -1 3 377.282 3.941 20 0 GHADHM Cc1cccc(OC[C@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001441982736 1058900749 /nfs/dbraw/zinc/90/07/49/1058900749.db2.gz MXSSTFULKLUSSS-ZDUSSCGKSA-N -1 3 391.493 3.996 20 0 GHADHM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001442245277 1058937879 /nfs/dbraw/zinc/93/78/79/1058937879.db2.gz KXPYJAKJWKLRFM-OAHLLOKOSA-N -1 3 390.773 3.713 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001442261923 1058942095 /nfs/dbraw/zinc/94/20/95/1058942095.db2.gz LHUAFXMUDSVWPG-RYUDHWBXSA-N -1 3 377.282 3.847 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(CCOC)CC1 ZINC001339226698 1059024189 /nfs/dbraw/zinc/02/41/89/1059024189.db2.gz JQRQIWJLZOMKGW-UHFFFAOYSA-N -1 3 392.931 3.695 20 0 GHADHM Cc1ccc(C(=O)NC2(C)CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001339243826 1059035672 /nfs/dbraw/zinc/03/56/72/1059035672.db2.gz NZUFUDQHEHUBAY-UHFFFAOYSA-N -1 3 396.871 3.871 20 0 GHADHM CCN(C(=O)c1cnncc1[O-])[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001443603780 1059158311 /nfs/dbraw/zinc/15/83/11/1059158311.db2.gz LTDMCONWGBOFEZ-OAQYLSRUSA-N -1 3 376.460 3.952 20 0 GHADHM COC(=O)CCc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001443641841 1059166854 /nfs/dbraw/zinc/16/68/54/1059166854.db2.gz HGHFEUJXHVZZBV-UHFFFAOYSA-N -1 3 384.819 3.539 20 0 GHADHM Cc1ccc(N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1Cl ZINC001443765105 1059197613 /nfs/dbraw/zinc/19/76/13/1059197613.db2.gz WWSOCOFYFKZORR-UHFFFAOYSA-N -1 3 396.878 3.698 20 0 GHADHM CCOC(=O)CCCCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC001445077542 1059454679 /nfs/dbraw/zinc/45/46/79/1059454679.db2.gz FELSFWCDYOSDNC-UHFFFAOYSA-N -1 3 386.286 3.788 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3cc(F)ccc3C2)s1 ZINC001446334499 1059756134 /nfs/dbraw/zinc/75/61/34/1059756134.db2.gz KGINUNFVSNJPLH-UHFFFAOYSA-N -1 3 377.441 3.828 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2cccc(CN3C(=O)CSC3=O)c2)c([O-])c1 ZINC001446356102 1059765060 /nfs/dbraw/zinc/76/50/60/1059765060.db2.gz ODSUTRGBCHOHNB-UHFFFAOYSA-N -1 3 398.484 3.641 20 0 GHADHM COc1cccc(C(C)(C)CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001446609049 1059815622 /nfs/dbraw/zinc/81/56/22/1059815622.db2.gz DNJBMRFQLVVPMT-UHFFFAOYSA-N -1 3 386.398 3.523 20 0 GHADHM CCc1ccc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001446702835 1059836699 /nfs/dbraw/zinc/83/66/99/1059836699.db2.gz VVCLFRFHVVYNJY-NRFANRHFSA-N -1 3 376.497 3.722 20 0 GHADHM COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3[O-])nn2C)cc1OC ZINC001546000319 1060014796 /nfs/dbraw/zinc/01/47/96/1060014796.db2.gz KPQPAFLXSDNZNY-UHFFFAOYSA-N -1 3 387.823 3.716 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2C(C)C)cc1 ZINC001340949062 1060277174 /nfs/dbraw/zinc/27/71/74/1060277174.db2.gz ZZVFBEFKBMBYAO-UHFFFAOYSA-N -1 3 376.420 3.935 20 0 GHADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001449705988 1060449696 /nfs/dbraw/zinc/44/96/96/1060449696.db2.gz ZNMOQKVWGNZCAH-QWHCGFSZSA-N -1 3 380.469 3.703 20 0 GHADHM CON(Cc1ccccc1Cl)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001450589514 1060626087 /nfs/dbraw/zinc/62/60/87/1060626087.db2.gz MPEURAXECPTNRX-UHFFFAOYSA-N -1 3 378.762 3.664 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1occc1CSc1ccccc1 ZINC001450897910 1060712457 /nfs/dbraw/zinc/71/24/57/1060712457.db2.gz FWIYBWFVKPJLJX-UHFFFAOYSA-N -1 3 391.456 3.928 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1occc1CSc1ccccc1 ZINC001450897910 1060712472 /nfs/dbraw/zinc/71/24/72/1060712472.db2.gz FWIYBWFVKPJLJX-UHFFFAOYSA-N -1 3 391.456 3.928 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](C2CCC2)C1 ZINC001451452715 1060777796 /nfs/dbraw/zinc/77/77/96/1060777796.db2.gz MCTPGSQKSCXMBJ-GFCCVEGCSA-N -1 3 375.266 3.553 20 0 GHADHM O=C([O-])CC1(CNCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC001346004119 1061278991 /nfs/dbraw/zinc/27/89/91/1061278991.db2.gz IRQGZZRUCXPKPF-UHFFFAOYSA-N -1 3 381.295 3.917 20 0 GHADHM COc1cc([C@@H](C)NCc2nc(C)cc(=O)[n-]2)ccc1OCc1ccccc1 ZINC000775031085 1061653952 /nfs/dbraw/zinc/65/39/52/1061653952.db2.gz JLWWFYZAJNNALC-MRXNPFEDSA-N -1 3 379.460 3.929 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC001454458090 1061788167 /nfs/dbraw/zinc/78/81/67/1061788167.db2.gz BEFXTZRFHCZOQY-UHFFFAOYSA-N -1 3 392.626 3.564 20 0 GHADHM CCOC(=O)c1nc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c[n-]1 ZINC001454458090 1061788184 /nfs/dbraw/zinc/78/81/84/1061788184.db2.gz BEFXTZRFHCZOQY-UHFFFAOYSA-N -1 3 392.626 3.564 20 0 GHADHM O=C(Nc1cccc2c1NC(=O)CO2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001455104321 1062006099 /nfs/dbraw/zinc/00/60/99/1062006099.db2.gz DVRDZQDBLURFTA-UHFFFAOYSA-N -1 3 376.368 3.768 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001455752793 1062281998 /nfs/dbraw/zinc/28/19/98/1062281998.db2.gz KCZRWEXMBHTLED-HNNXBMFYSA-N -1 3 396.516 3.639 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC001435089335 1062285180 /nfs/dbraw/zinc/28/51/80/1062285180.db2.gz LLGDYYVFUZIMKT-UHFFFAOYSA-N -1 3 391.399 3.677 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC001435228637 1062404116 /nfs/dbraw/zinc/40/41/16/1062404116.db2.gz HUWJESDJFSZXBO-MRXNPFEDSA-N -1 3 378.806 3.662 20 0 GHADHM Cc1ncc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Br ZINC001347652872 1062552591 /nfs/dbraw/zinc/55/25/91/1062552591.db2.gz IXSDXKIUTBWWFH-UHFFFAOYSA-N -1 3 379.258 3.506 20 0 GHADHM CCOC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)o1 ZINC001435374891 1062554001 /nfs/dbraw/zinc/55/40/01/1062554001.db2.gz NNKSFWRNUXPHCY-UHFFFAOYSA-N -1 3 387.766 3.527 20 0 GHADHM C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nc(C(F)(F)F)n[n-]1 ZINC001456388682 1062655229 /nfs/dbraw/zinc/65/52/29/1062655229.db2.gz UTPXWORHVSDZLF-JTQLQIEISA-N -1 3 388.349 3.939 20 0 GHADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)c1ccccc1F ZINC001435553291 1062728145 /nfs/dbraw/zinc/72/81/45/1062728145.db2.gz VPHLPOMMGWEFOH-KRWDZBQOSA-N -1 3 395.377 3.735 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccccc3C(F)(F)F)nc21 ZINC001435630196 1062793814 /nfs/dbraw/zinc/79/38/14/1062793814.db2.gz CEBCRLYNVIHAOM-UHFFFAOYSA-N -1 3 391.349 3.940 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(Cl)sc2Cl)c([O-])c(OC)c1 ZINC001456743867 1062836810 /nfs/dbraw/zinc/83/68/10/1062836810.db2.gz GMSYCAHAQXSRJB-UHFFFAOYSA-N -1 3 376.217 3.808 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c([O-])c(OC)c1 ZINC001456744174 1062836918 /nfs/dbraw/zinc/83/69/18/1062836918.db2.gz HYZVFTIBSXBDNT-JTQLQIEISA-N -1 3 375.446 3.626 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccc(Oc2nccs2)c1 ZINC001456934515 1062922916 /nfs/dbraw/zinc/92/29/16/1062922916.db2.gz IIYMHUQUNWONEU-CTYIDZIISA-N -1 3 396.472 3.887 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456936269 1062923687 /nfs/dbraw/zinc/92/36/87/1062923687.db2.gz NCDXDEUSMQKEBK-TXTZMMAHSA-N -1 3 375.513 3.699 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)/C=C\C(C)(C)C)[n-]c2c(Br)c1 ZINC001457013429 1062948757 /nfs/dbraw/zinc/94/87/57/1062948757.db2.gz GDFXSNBOLGFIBL-WAYWQWQTSA-N -1 3 380.242 3.653 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457687573 1063312853 /nfs/dbraw/zinc/31/28/53/1063312853.db2.gz IODWXIJJSBQADT-UHFFFAOYSA-N -1 3 376.334 3.987 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436647308 1063592054 /nfs/dbraw/zinc/59/20/54/1063592054.db2.gz BAVRGOQWIOBJCV-UHFFFAOYSA-N -1 3 396.451 3.967 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436647308 1063592071 /nfs/dbraw/zinc/59/20/71/1063592071.db2.gz BAVRGOQWIOBJCV-UHFFFAOYSA-N -1 3 396.451 3.967 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc3sccc32)ccc1F ZINC001437180170 1063776546 /nfs/dbraw/zinc/77/65/46/1063776546.db2.gz PBCWHSHYGKUFTO-UHFFFAOYSA-N -1 3 393.461 3.946 20 0 GHADHM C[C@@H](Nc1cc(-c2cccc(Cl)c2)ncn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458458828 1063822536 /nfs/dbraw/zinc/82/25/36/1063822536.db2.gz ZQACEBGQZRNVKF-QWHCGFSZSA-N -1 3 397.866 3.973 20 0 GHADHM C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H]1C ZINC001458528945 1063869614 /nfs/dbraw/zinc/86/96/14/1063869614.db2.gz ZBUXOLVZOZNNIC-IOASZLSFSA-N -1 3 385.501 3.884 20 0 GHADHM C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@H]1C ZINC001458528935 1063869760 /nfs/dbraw/zinc/86/97/60/1063869760.db2.gz ZBUXOLVZOZNNIC-DVOMOZLQSA-N -1 3 385.501 3.884 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccccc2Cl)ccc1F ZINC001350192706 1064016200 /nfs/dbraw/zinc/01/62/00/1064016200.db2.gz SWYIHQIKROYCBA-UHFFFAOYSA-N -1 3 385.844 3.775 20 0 GHADHM O=C([N-][C@H](Cn1ccnc1)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC001438862241 1064126422 /nfs/dbraw/zinc/12/64/22/1064126422.db2.gz PVYQQJBKLBPPID-MRXNPFEDSA-N -1 3 377.341 3.811 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@H](C)[C@H]1OC ZINC001463425131 1064339232 /nfs/dbraw/zinc/33/92/32/1064339232.db2.gz CKJFNPBRHMKJQS-IAOVAPTHSA-N -1 3 394.562 3.928 20 0 GHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)[C@H]1C ZINC001463623993 1064507492 /nfs/dbraw/zinc/50/74/92/1064507492.db2.gz MVXUHIUPHSNMHA-WOPDTQHZSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001463654859 1064530197 /nfs/dbraw/zinc/53/01/97/1064530197.db2.gz CWZOADAKFQXPPU-JTQLQIEISA-N -1 3 387.383 3.533 20 0 GHADHM CN(CCOc1ccccc1Cl)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001463740577 1064581658 /nfs/dbraw/zinc/58/16/58/1064581658.db2.gz BVVNRLSEAXZJAR-UHFFFAOYSA-N -1 3 392.789 3.611 20 0 GHADHM O=S(=O)([N-][C@@H]1CC2CCC1CC2)c1cc(Cl)ccc1Br ZINC001463759267 1064592417 /nfs/dbraw/zinc/59/24/17/1064592417.db2.gz RYUDMAVXTAGUMC-SRHKJQAYSA-N -1 3 378.719 3.960 20 0 GHADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001463773916 1064605058 /nfs/dbraw/zinc/60/50/58/1064605058.db2.gz IBZWCZLZBXHEDR-OAHLLOKOSA-N -1 3 390.386 3.912 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCC2(F)CCC2)c(Br)c1 ZINC001463810261 1064637341 /nfs/dbraw/zinc/63/73/41/1064637341.db2.gz UZFXIVZLISADJF-UHFFFAOYSA-N -1 3 384.698 3.972 20 0 GHADHM O=C(NCC[C@@H]1CCC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001351858840 1064645383 /nfs/dbraw/zinc/64/53/83/1064645383.db2.gz WISVERPHNOOFLK-JTQLQIEISA-N -1 3 399.235 3.846 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001463836173 1064659629 /nfs/dbraw/zinc/65/96/29/1064659629.db2.gz UWUAZGQGFXNKFB-ZSOIEALJSA-N -1 3 377.301 3.835 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001463836173 1064659642 /nfs/dbraw/zinc/65/96/42/1064659642.db2.gz UWUAZGQGFXNKFB-ZSOIEALJSA-N -1 3 377.301 3.835 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)c(F)c1 ZINC001464064651 1064796187 /nfs/dbraw/zinc/79/61/87/1064796187.db2.gz PPXYBXQSWFSRNY-KRWDZBQOSA-N -1 3 383.485 3.784 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccccc2-n2cccn2)s1 ZINC001464082255 1064807380 /nfs/dbraw/zinc/80/73/80/1064807380.db2.gz MZRLOEHHUBKFDF-UHFFFAOYSA-N -1 3 385.449 3.928 20 0 GHADHM O=S(=O)([N-]CC1CCc2ccccc2CC1)c1cccnc1C(F)(F)F ZINC001464145683 1064858369 /nfs/dbraw/zinc/85/83/69/1064858369.db2.gz IVXZTMFMXGHKML-UHFFFAOYSA-N -1 3 384.423 3.574 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC001464166491 1064881575 /nfs/dbraw/zinc/88/15/75/1064881575.db2.gz XLJAMBCMZIKAGJ-NSHDSACASA-N -1 3 376.359 3.609 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c([O-])c1 ZINC001464216721 1064911609 /nfs/dbraw/zinc/91/16/09/1064911609.db2.gz NUKDSFPNKMLJKS-HXUWFJFHSA-N -1 3 386.467 3.863 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2cccnc2)C2CCCC2)c(F)cc1F ZINC001464341583 1064962547 /nfs/dbraw/zinc/96/25/47/1064962547.db2.gz STZPRECJVHXRGT-SFHVURJKSA-N -1 3 380.460 3.748 20 0 GHADHM COc1ccc(CCCN(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001464407907 1064992511 /nfs/dbraw/zinc/99/25/11/1064992511.db2.gz YRMKOZZSUHBYLD-UHFFFAOYSA-N -1 3 386.398 3.520 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)CC2)s1 ZINC001464665108 1065145116 /nfs/dbraw/zinc/14/51/16/1065145116.db2.gz IOTUGZXEWRMQSJ-CVEARBPZSA-N -1 3 393.530 3.930 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001464672022 1065150034 /nfs/dbraw/zinc/15/00/34/1065150034.db2.gz DEJMSEXERLACNH-UHFFFAOYSA-N -1 3 396.878 3.779 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCC(C)(C)CO2)sc1Br ZINC001464682264 1065154527 /nfs/dbraw/zinc/15/45/27/1065154527.db2.gz GNSJTXZIEXGEPO-LLVKDONJSA-N -1 3 396.372 3.693 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)[C@H]1CCCOC1)c1cc(Cl)ccc1C(F)(F)F ZINC001464723333 1065176382 /nfs/dbraw/zinc/17/63/82/1065176382.db2.gz OWXMMLXVMWALBF-XHDPSFHLSA-N -1 3 397.846 3.842 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(F)c1)c1csc(-c2ccccc2)n1 ZINC001464765964 1065200068 /nfs/dbraw/zinc/20/00/68/1065200068.db2.gz PDIMHLJUJUNNPZ-UHFFFAOYSA-N -1 3 392.477 3.697 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C2CCCC2)sc1Br ZINC001464852908 1065245878 /nfs/dbraw/zinc/24/58/78/1065245878.db2.gz QELDSTILINNNBU-NWDGAFQWSA-N -1 3 378.357 3.924 20 0 GHADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc([O-])cc(Br)c1 ZINC001465083097 1065381599 /nfs/dbraw/zinc/38/15/99/1065381599.db2.gz LFJFDHBLIRZJIL-OAHLLOKOSA-N -1 3 393.256 3.693 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1F ZINC001200152215 1065385028 /nfs/dbraw/zinc/38/50/28/1065385028.db2.gz WKOUMZGVZOXMSW-UHFFFAOYSA-N -1 3 378.812 3.532 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001465417419 1065598067 /nfs/dbraw/zinc/59/80/67/1065598067.db2.gz XYIBWAPXBVHXRC-SFHVURJKSA-N -1 3 388.389 3.943 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2)cc1 ZINC001465425797 1065603373 /nfs/dbraw/zinc/60/33/73/1065603373.db2.gz QWTPBOCIKFJQTQ-UHFFFAOYSA-N -1 3 382.445 3.893 20 0 GHADHM CC(C)c1c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cnn1-c1ccc(Cl)cc1 ZINC001300192951 1065624641 /nfs/dbraw/zinc/62/46/41/1065624641.db2.gz GZFJRLRLMOGJRP-CYBMUJFWSA-N -1 3 399.882 3.708 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)ccc1F ZINC001465698274 1065795923 /nfs/dbraw/zinc/79/59/23/1065795923.db2.gz ODJOUGJTDQZROT-GOSISDBHSA-N -1 3 392.496 3.559 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C1CCC1 ZINC001466633456 1066224722 /nfs/dbraw/zinc/22/47/22/1066224722.db2.gz YSKNXMXABNXZJD-CQSZACIVSA-N -1 3 399.285 3.787 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001466632692 1066225012 /nfs/dbraw/zinc/22/50/12/1066225012.db2.gz ONFCWDLCSTUXJW-UHFFFAOYSA-N -1 3 388.221 3.797 20 0 GHADHM CCSc1cccc(F)c1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001466740050 1066288116 /nfs/dbraw/zinc/28/81/16/1066288116.db2.gz KEDZJKRRGYMJNF-SSDOTTSWSA-N -1 3 377.367 3.957 20 0 GHADHM COc1cc(C(=O)N2CCC(c3ccc4[nH]ccc4c3)CC2)cc(OC)c1[O-] ZINC001353848253 1066302030 /nfs/dbraw/zinc/30/20/30/1066302030.db2.gz JNAFSFRKQFETCU-UHFFFAOYSA-N -1 3 380.444 3.911 20 0 GHADHM Cc1sc(Cl)nc1C(=O)Nc1ccc(I)cc1[O-] ZINC001466817594 1066322898 /nfs/dbraw/zinc/32/28/98/1066322898.db2.gz JZDLWPYACVMEAM-UHFFFAOYSA-N -1 3 394.621 3.667 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc(C(F)F)nc1 ZINC001466817850 1066325469 /nfs/dbraw/zinc/32/54/69/1066325469.db2.gz UIPOAFMPUBHJLK-UHFFFAOYSA-N -1 3 390.127 3.582 20 0 GHADHM CCCCOc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1Cl ZINC001466912723 1066384164 /nfs/dbraw/zinc/38/41/64/1066384164.db2.gz NNZONRHHYXZMHY-UHFFFAOYSA-N -1 3 376.819 3.859 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccn(Cc4ccccc4)c3C)nc21 ZINC001357296930 1067036694 /nfs/dbraw/zinc/03/66/94/1067036694.db2.gz ZCCPAPNYBGRTNL-UHFFFAOYSA-N -1 3 388.427 3.760 20 0 GHADHM COc1cc(C(=O)[N-]c2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)on1 ZINC001357571610 1067168872 /nfs/dbraw/zinc/16/88/72/1067168872.db2.gz MFQUDYTZLDWZEQ-UHFFFAOYSA-N -1 3 399.350 3.881 20 0 GHADHM Cc1nc(NC([O-])=NO[C@@H](CO)C2CCCC2)sc1Cc1ccccc1 ZINC001467248984 1067177598 /nfs/dbraw/zinc/17/75/98/1067177598.db2.gz ZHWFQBQAHZQRCU-INIZCTEOSA-N -1 3 375.494 3.647 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@@H](CO)C2CCCC2)sc1Cc1ccccc1 ZINC001467248984 1067177604 /nfs/dbraw/zinc/17/76/04/1067177604.db2.gz ZHWFQBQAHZQRCU-INIZCTEOSA-N -1 3 375.494 3.647 20 0 GHADHM O=C(NCc1ccc(I)c(Cl)c1)c1ccccc1[O-] ZINC001467494090 1067327012 /nfs/dbraw/zinc/32/70/12/1067327012.db2.gz YSOIEUXWMVFBNV-UHFFFAOYSA-N -1 3 387.604 3.580 20 0 GHADHM CCCc1ccc(CCCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874647 1067511129 /nfs/dbraw/zinc/51/11/29/1067511129.db2.gz QIMQOZDJKFYLJT-IRXDYDNUSA-N -1 3 397.519 3.842 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nccc3ccccc32)c(Cl)c1 ZINC001468019821 1067568534 /nfs/dbraw/zinc/56/85/34/1067568534.db2.gz LJWVEBXDRSLTDZ-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(I)cc2OC)c1[O-] ZINC001468381976 1067712011 /nfs/dbraw/zinc/71/20/11/1067712011.db2.gz PEHXWVYHLCKWLP-UHFFFAOYSA-N -1 3 397.212 3.820 20 0 GHADHM Cc1[nH]nc(C(=O)Nc2c([O-])ccc(Br)c2C)c1Br ZINC001468426679 1067727083 /nfs/dbraw/zinc/72/70/83/1067727083.db2.gz WZHPMZPATPDLJY-UHFFFAOYSA-N -1 3 389.047 3.509 20 0 GHADHM Cc1cc(C[N-]c2nnc([C@H](C)Oc3cccc(Br)c3)o2)no1 ZINC000849161875 1067748644 /nfs/dbraw/zinc/74/86/44/1067748644.db2.gz OHJHKOCFQIBNAT-JTQLQIEISA-N -1 3 379.214 3.881 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(Oc3ccnc(C(=O)NC)c3)c2)c1 ZINC001468540275 1067764723 /nfs/dbraw/zinc/76/47/23/1067764723.db2.gz WRJGBDRNMGHADR-UHFFFAOYSA-N -1 3 391.427 3.754 20 0 GHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1[n-]cnc1C(F)(F)F ZINC001468683357 1067822446 /nfs/dbraw/zinc/82/24/46/1067822446.db2.gz HPSNABXPHWKGCB-UHFFFAOYSA-N -1 3 389.259 3.885 20 0 GHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc[n-]c1C(F)(F)F ZINC001468683357 1067822464 /nfs/dbraw/zinc/82/24/64/1067822464.db2.gz HPSNABXPHWKGCB-UHFFFAOYSA-N -1 3 389.259 3.885 20 0 GHADHM COc1nccc2c(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cccc21 ZINC001468822151 1067901105 /nfs/dbraw/zinc/90/11/05/1067901105.db2.gz AMGODFJWLYSWKP-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM CCc1cccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1[O-] ZINC001469336960 1068111675 /nfs/dbraw/zinc/11/16/75/1068111675.db2.gz FNNFVPLRYXLEFX-QLFBSQMISA-N -1 3 376.497 3.813 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC001469398520 1068142831 /nfs/dbraw/zinc/14/28/31/1068142831.db2.gz UBSKYOSXGBJLRD-NHYWBVRUSA-N -1 3 398.297 3.595 20 0 GHADHM CCCO[N-]C(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001469428200 1068158481 /nfs/dbraw/zinc/15/84/81/1068158481.db2.gz KUEXCXNZDAYCBK-GFCCVEGCSA-N -1 3 375.250 3.708 20 0 GHADHM CC(=O)c1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)cc1[O-] ZINC001469528665 1068206602 /nfs/dbraw/zinc/20/66/02/1068206602.db2.gz DYZAJLXEUSNHPQ-UHFFFAOYSA-N -1 3 379.334 3.913 20 0 GHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](CO)Cc1ccccc1 ZINC001470052733 1068545470 /nfs/dbraw/zinc/54/54/70/1068545470.db2.gz MBAXLGPKHJQSMP-OAQYLSRUSA-N -1 3 375.468 3.659 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001478218496 1078770135 /nfs/dbraw/zinc/77/01/35/1078770135.db2.gz JYTSEPOYOFRQQU-OAHLLOKOSA-N -1 3 379.229 3.950 20 0 GHADHM O=c1[n-]nc(C2CCN(Cc3ccc(OCc4ccccc4F)cc3)CC2)o1 ZINC001460087737 1068774447 /nfs/dbraw/zinc/77/44/47/1068774447.db2.gz CITKHOBZVLZVFA-UHFFFAOYSA-N -1 3 383.423 3.873 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnc(C(F)(F)F)c(C)c3)c[n-]c12 ZINC001470550029 1072621058 /nfs/dbraw/zinc/62/10/58/1072621058.db2.gz LKJYIMRBEIQRHB-UHFFFAOYSA-N -1 3 379.313 3.950 20 0 GHADHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC001470608423 1072646462 /nfs/dbraw/zinc/64/64/62/1072646462.db2.gz GXKFKOAFDGKUIR-VBNZEHGJSA-N -1 3 389.462 3.586 20 0 GHADHM COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)CCCC2 ZINC001471562085 1073136115 /nfs/dbraw/zinc/13/61/15/1073136115.db2.gz MHKBIAVBROLPSD-GOSISDBHSA-N -1 3 383.444 3.810 20 0 GHADHM CC(C)(C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C(F)(F)F)cc1 ZINC001471812969 1073224364 /nfs/dbraw/zinc/22/43/64/1073224364.db2.gz VNZBDSZPPLINSQ-UHFFFAOYSA-N -1 3 379.382 3.672 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001471811081 1073224439 /nfs/dbraw/zinc/22/44/39/1073224439.db2.gz NMXXVZYYACJLPO-UHFFFAOYSA-N -1 3 394.475 3.508 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(Br)ccc1Cl ZINC001471906772 1073255225 /nfs/dbraw/zinc/25/52/25/1073255225.db2.gz PHBXPVBMSJKZEX-UHFFFAOYSA-N -1 3 398.688 3.960 20 0 GHADHM C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3cc(CCc4ccccc4)ccc3[O-])O2)CO1 ZINC001471921151 1073261258 /nfs/dbraw/zinc/26/12/58/1073261258.db2.gz XAJYURBOBCDQCE-PWAGRJGVSA-N -1 3 395.499 3.634 20 0 GHADHM COC(=O)c1cccc2c1CCN2C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001472076406 1073327273 /nfs/dbraw/zinc/32/72/73/1073327273.db2.gz NBJVZRXTWJSHCA-UHFFFAOYSA-N -1 3 387.435 3.973 20 0 GHADHM C[C@@H](NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109003 1073336203 /nfs/dbraw/zinc/33/62/03/1073336203.db2.gz DVUBSZDRAIOZFD-RISCZKNCSA-N -1 3 398.429 3.812 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cccc2N(C)C)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112216 1073338140 /nfs/dbraw/zinc/33/81/40/1073338140.db2.gz YIAZNXIFSMHNAA-QMMMGPOBSA-N -1 3 383.399 3.595 20 0 GHADHM O=C(Nc1ccnc(N2CCCCC2)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001472138112 1073342408 /nfs/dbraw/zinc/34/24/08/1073342408.db2.gz SXQWWPAEHUGPRI-UHFFFAOYSA-N -1 3 382.851 3.819 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCC2)c1 ZINC001472208568 1073371981 /nfs/dbraw/zinc/37/19/81/1073371981.db2.gz NUZVKGXBZFDBCS-OAQYLSRUSA-N -1 3 380.444 3.797 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1CCCc2sccc21 ZINC001472241596 1073380142 /nfs/dbraw/zinc/38/01/42/1073380142.db2.gz STQZMPWMMWQQAA-OAHLLOKOSA-N -1 3 381.457 3.887 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1CCCc2sccc21 ZINC001472241596 1073380147 /nfs/dbraw/zinc/38/01/47/1073380147.db2.gz STQZMPWMMWQQAA-OAHLLOKOSA-N -1 3 381.457 3.887 20 0 GHADHM O=C(C=CSCc1ccco1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241915 1073380433 /nfs/dbraw/zinc/38/04/33/1073380433.db2.gz XWVWUOBOOJGHBT-NTMALXAHSA-N -1 3 383.429 3.745 20 0 GHADHM O=C(/C=C\SCc1ccco1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241915 1073380441 /nfs/dbraw/zinc/38/04/41/1073380441.db2.gz XWVWUOBOOJGHBT-NTMALXAHSA-N -1 3 383.429 3.745 20 0 GHADHM Nc1c(Cl)ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1Cl ZINC001472288499 1073401153 /nfs/dbraw/zinc/40/11/53/1073401153.db2.gz FJXZQKOEEDXAQF-MGCOHNPYSA-N -1 3 381.263 3.527 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1C ZINC001472288969 1073401690 /nfs/dbraw/zinc/40/16/90/1073401690.db2.gz UUKZUDJKGOXAML-SAABIXHNSA-N -1 3 381.476 3.605 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncc(-c2cccc(F)c2)s1 ZINC001472342348 1073435368 /nfs/dbraw/zinc/43/53/68/1073435368.db2.gz GBYNZIGPUAJDIR-UHFFFAOYSA-N -1 3 376.438 3.727 20 0 GHADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1[O-] ZINC001472509830 1073522931 /nfs/dbraw/zinc/52/29/31/1073522931.db2.gz ILJPROOBQKGXFG-OAHLLOKOSA-N -1 3 382.357 3.554 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)n1 ZINC001472877131 1073707709 /nfs/dbraw/zinc/70/77/09/1073707709.db2.gz DLGFDFNHKKAZBZ-HNNXBMFYSA-N -1 3 398.555 3.957 20 0 GHADHM CCOC(=O)[C@H]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c2ccccc21 ZINC001473390802 1073946748 /nfs/dbraw/zinc/94/67/48/1073946748.db2.gz HADYHMTXTCDGPC-IBGZPJMESA-N -1 3 389.455 3.906 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1CCCCC1CCOCC1)C(F)(F)F ZINC001473567662 1074020586 /nfs/dbraw/zinc/02/05/86/1074020586.db2.gz VMURLAFHIWCBEX-QGZVFWFLSA-N -1 3 384.442 3.693 20 0 GHADHM CC(C)(CNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC001479442946 1079207729 /nfs/dbraw/zinc/20/77/29/1079207729.db2.gz ZQYDLCXPRRQLET-ZDUSSCGKSA-N -1 3 397.441 3.805 20 0 GHADHM C[C@H](c1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1)C(F)(F)F ZINC001473738011 1074116241 /nfs/dbraw/zinc/11/62/41/1074116241.db2.gz DSPIYMWUZCKTCL-ABAIWWIYSA-N -1 3 382.348 3.995 20 0 GHADHM C[C@@]1(NCc2ccc([O-])c(F)c2F)CCN(C(=O)OCc2ccccc2)C1 ZINC001474487704 1074428224 /nfs/dbraw/zinc/42/82/24/1074428224.db2.gz SWJNOHUVRUHBRR-HXUWFJFHSA-N -1 3 376.403 3.561 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H]1C(F)(F)F ZINC001474710425 1074528770 /nfs/dbraw/zinc/52/87/70/1074528770.db2.gz LOTAGTDBIZKXIL-ZYHUDNBSSA-N -1 3 396.356 3.558 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC001474808056 1074573487 /nfs/dbraw/zinc/57/34/87/1074573487.db2.gz BXZKLUAPCXWVMZ-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccsc1 ZINC001474830684 1074582811 /nfs/dbraw/zinc/58/28/11/1074582811.db2.gz OYJHLLIJWMYDML-INIZCTEOSA-N -1 3 396.509 3.995 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)COc2ccc(C(C)(C)C)cc2)s1 ZINC001474864843 1074599321 /nfs/dbraw/zinc/59/93/21/1074599321.db2.gz BJGGDOQKKUGXRY-CYBMUJFWSA-N -1 3 382.551 3.749 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(-n3cnc4ccccc43)cc2)s1 ZINC001474895710 1074618289 /nfs/dbraw/zinc/61/82/89/1074618289.db2.gz NFRLIDMBKCMDKQ-UHFFFAOYSA-N -1 3 398.513 3.523 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)Cc1cccs1 ZINC001475033953 1074698358 /nfs/dbraw/zinc/69/83/58/1074698358.db2.gz BHHMLNSWNZIRGC-VIFPVBQESA-N -1 3 387.939 3.563 20 0 GHADHM Cc1cccc(C)c1OC[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1 ZINC001475077426 1074727149 /nfs/dbraw/zinc/72/71/49/1074727149.db2.gz NKMZEDYCXAOZOP-QGZVFWFLSA-N -1 3 388.514 3.859 20 0 GHADHM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001475098237 1074735934 /nfs/dbraw/zinc/73/59/34/1074735934.db2.gz FDRVYUDQFNQORC-LBPRGKRZSA-N -1 3 386.876 3.838 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CCCC1 ZINC001475100132 1074736634 /nfs/dbraw/zinc/73/66/34/1074736634.db2.gz QZFASPXCYPYPLB-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC001475347307 1074842863 /nfs/dbraw/zinc/84/28/63/1074842863.db2.gz QFTXQIHJYLPUEI-OLZOCXBDSA-N -1 3 390.908 3.932 20 0 GHADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001475373452 1074852997 /nfs/dbraw/zinc/85/29/97/1074852997.db2.gz YXFLBMMFLQLANG-GXSJLCMTSA-N -1 3 386.233 3.791 20 0 GHADHM O=S(=O)([N-]Cc1cn(C(F)F)c2ccccc12)c1cnc(Cl)c(F)c1 ZINC001475561445 1074915124 /nfs/dbraw/zinc/91/51/24/1074915124.db2.gz MTHNSABHOXPRIX-UHFFFAOYSA-N -1 3 389.786 3.702 20 0 GHADHM Cc1scc(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)c1C ZINC001475566123 1074915964 /nfs/dbraw/zinc/91/59/64/1074915964.db2.gz YSDIFORRIVOTJS-UHFFFAOYSA-N -1 3 384.832 3.911 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c(C)c1Cl ZINC001475578841 1074918710 /nfs/dbraw/zinc/91/87/10/1074918710.db2.gz VGWKXILOFYIIOE-LLVKDONJSA-N -1 3 377.915 3.521 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001475611586 1074926865 /nfs/dbraw/zinc/92/68/65/1074926865.db2.gz PBSFZPOLKLZNRP-ROUUACIJSA-N -1 3 398.532 3.679 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCC=CCCC2)cc1OC ZINC001476020991 1075070410 /nfs/dbraw/zinc/07/04/10/1075070410.db2.gz QQHWMIQYULLZMS-HNNXBMFYSA-N -1 3 395.525 3.715 20 0 GHADHM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NCc1ccn(C2CCCC2)n1 ZINC001601660889 1126224868 /nfs/dbraw/zinc/22/48/68/1126224868.db2.gz ZPKYSEOMBOZTPJ-KRWDZBQOSA-N -1 3 397.397 3.682 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)(NCc1ncccc1Br)C(=O)[O-] ZINC001604218406 1126228298 /nfs/dbraw/zinc/22/82/98/1126228298.db2.gz KQFDDMBPMGIZSN-MRXNPFEDSA-N -1 3 383.673 3.673 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H](C)CC2CCCC2)c1C ZINC000737504009 598840724 /nfs/dbraw/zinc/84/07/24/598840724.db2.gz SDWHPWWBEKKRAP-CYBMUJFWSA-N -1 3 393.495 3.824 20 0 GHADHM CCOCCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000736627940 598861469 /nfs/dbraw/zinc/86/14/69/598861469.db2.gz XNVXAZVZKWAYCW-UHFFFAOYSA-N -1 3 399.398 3.978 20 0 GHADHM CCCCCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736450995 598877874 /nfs/dbraw/zinc/87/78/74/598877874.db2.gz DZBQXODELMLJFD-IBGZPJMESA-N -1 3 379.464 3.926 20 0 GHADHM CCCCCc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736450995 598877875 /nfs/dbraw/zinc/87/78/75/598877875.db2.gz DZBQXODELMLJFD-IBGZPJMESA-N -1 3 379.464 3.926 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NCC1(c2cccs2)CCCCC1 ZINC000738101886 598889005 /nfs/dbraw/zinc/88/90/05/598889005.db2.gz MKZFDKCEEITNSM-UHFFFAOYSA-N -1 3 396.520 3.630 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NCC1(c2cccs2)CCCCC1 ZINC000738101886 598889007 /nfs/dbraw/zinc/88/90/07/598889007.db2.gz MKZFDKCEEITNSM-UHFFFAOYSA-N -1 3 396.520 3.630 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NCC1CCCC1 ZINC000738112767 598889274 /nfs/dbraw/zinc/88/92/74/598889274.db2.gz RVEZTWDWSBMPRU-UHFFFAOYSA-N -1 3 382.493 3.585 20 0 GHADHM CCCN(CCC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736474202 598891103 /nfs/dbraw/zinc/89/11/03/598891103.db2.gz XVUZHHDKMGYVIH-UHFFFAOYSA-N -1 3 384.509 3.927 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736685961 598906574 /nfs/dbraw/zinc/90/65/74/598906574.db2.gz NIECQOONHYEKLU-GOSISDBHSA-N -1 3 394.479 3.849 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685961 598906575 /nfs/dbraw/zinc/90/65/75/598906575.db2.gz NIECQOONHYEKLU-GOSISDBHSA-N -1 3 394.479 3.849 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N[C@@H]1CC=CCC1 ZINC000738113187 598907205 /nfs/dbraw/zinc/90/72/05/598907205.db2.gz WDJFFAOQQLZNQM-OAHLLOKOSA-N -1 3 380.477 3.503 20 0 GHADHM O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738214833 598909632 /nfs/dbraw/zinc/90/96/32/598909632.db2.gz NUQIIATVMHHKFO-CQSZACIVSA-N -1 3 396.756 3.851 20 0 GHADHM O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738214833 598909633 /nfs/dbraw/zinc/90/96/33/598909633.db2.gz NUQIIATVMHHKFO-CQSZACIVSA-N -1 3 396.756 3.851 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735925046 598911231 /nfs/dbraw/zinc/91/12/31/598911231.db2.gz WPHCWVAVJAULSV-VQTJNVASSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735925046 598911232 /nfs/dbraw/zinc/91/12/32/598911232.db2.gz WPHCWVAVJAULSV-VQTJNVASSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)(C)C(=O)c1ccsc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735588652 598911997 /nfs/dbraw/zinc/91/19/97/598911997.db2.gz FNZLNILQPYSNSO-UHFFFAOYSA-N -1 3 383.477 3.728 20 0 GHADHM CC(C)(C)C(=O)c1ccsc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735588652 598912000 /nfs/dbraw/zinc/91/20/00/598912000.db2.gz FNZLNILQPYSNSO-UHFFFAOYSA-N -1 3 383.477 3.728 20 0 GHADHM Clc1cc(NC[C@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822567408 607256085 /nfs/dbraw/zinc/25/60/85/607256085.db2.gz AQGAFWDLNVTWPI-OAHLLOKOSA-N -1 3 399.882 3.938 20 0 GHADHM Clc1cc(NC[C@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822567408 607256086 /nfs/dbraw/zinc/25/60/86/607256086.db2.gz AQGAFWDLNVTWPI-OAHLLOKOSA-N -1 3 399.882 3.938 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508472 598971573 /nfs/dbraw/zinc/97/15/73/598971573.db2.gz MLONUENPNVMZJK-VUSFMPOISA-N -1 3 397.504 3.559 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508472 598971575 /nfs/dbraw/zinc/97/15/75/598971575.db2.gz MLONUENPNVMZJK-VUSFMPOISA-N -1 3 397.504 3.559 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736401158 598977562 /nfs/dbraw/zinc/97/75/62/598977562.db2.gz VYRFTDVUGGTNMZ-LJQANCHMSA-N -1 3 391.475 3.850 20 0 GHADHM O=C(Nc1ccccc1F)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738191088 598979989 /nfs/dbraw/zinc/97/99/89/598979989.db2.gz PPEDBXFDAQXXKG-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1F)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738191088 598979991 /nfs/dbraw/zinc/97/99/91/598979991.db2.gz PPEDBXFDAQXXKG-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CC(C)CN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819129 598988290 /nfs/dbraw/zinc/98/82/90/598988290.db2.gz TXEPSAMZLMDSHZ-UHFFFAOYSA-N -1 3 392.438 3.719 20 0 GHADHM CC(C)CN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819129 598988291 /nfs/dbraw/zinc/98/82/91/598988291.db2.gz TXEPSAMZLMDSHZ-UHFFFAOYSA-N -1 3 392.438 3.719 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCCC1 ZINC000736123085 599007703 /nfs/dbraw/zinc/00/77/03/599007703.db2.gz NTKFQGUACWIBSV-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCCC1 ZINC000736123085 599007705 /nfs/dbraw/zinc/00/77/05/599007705.db2.gz NTKFQGUACWIBSV-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(Cl)s1 ZINC000737033276 599009581 /nfs/dbraw/zinc/00/95/81/599009581.db2.gz USXFFNXVVKROTQ-UHFFFAOYSA-N -1 3 382.898 3.902 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(Cl)s1 ZINC000737033276 599009582 /nfs/dbraw/zinc/00/95/82/599009582.db2.gz USXFFNXVVKROTQ-UHFFFAOYSA-N -1 3 382.898 3.902 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737317406 599011629 /nfs/dbraw/zinc/01/16/29/599011629.db2.gz LANQHYHHMGGARL-KRWDZBQOSA-N -1 3 381.505 3.791 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737317406 599011631 /nfs/dbraw/zinc/01/16/31/599011631.db2.gz LANQHYHHMGGARL-KRWDZBQOSA-N -1 3 381.505 3.791 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736226186 599013934 /nfs/dbraw/zinc/01/39/34/599013934.db2.gz GHAXHTBXDWPRHA-STQMWFEESA-N -1 3 382.493 3.535 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737819139 599016407 /nfs/dbraw/zinc/01/64/07/599016407.db2.gz NEAGPOITOKLRFL-CYBMUJFWSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737819139 599016408 /nfs/dbraw/zinc/01/64/08/599016408.db2.gz NEAGPOITOKLRFL-CYBMUJFWSA-N -1 3 379.489 3.866 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114988 599019015 /nfs/dbraw/zinc/01/90/15/599019015.db2.gz FXBWXYVHMJPDEB-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114988 599019017 /nfs/dbraw/zinc/01/90/17/599019017.db2.gz FXBWXYVHMJPDEB-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000736360952 599022714 /nfs/dbraw/zinc/02/27/14/599022714.db2.gz DGXQZYUJYVITCC-HNNXBMFYSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000736360952 599022717 /nfs/dbraw/zinc/02/27/17/599022717.db2.gz DGXQZYUJYVITCC-HNNXBMFYSA-N -1 3 376.342 3.557 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737391241 599040595 /nfs/dbraw/zinc/04/05/95/599040595.db2.gz YRGKJIYCPWFZGR-KRWDZBQOSA-N -1 3 393.491 3.644 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737391241 599040599 /nfs/dbraw/zinc/04/05/99/599040599.db2.gz YRGKJIYCPWFZGR-KRWDZBQOSA-N -1 3 393.491 3.644 20 0 GHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1OC ZINC000736369876 599044001 /nfs/dbraw/zinc/04/40/01/599044001.db2.gz OCMVGFHQRJZUTQ-LBPRGKRZSA-N -1 3 378.358 3.852 20 0 GHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1OC ZINC000736369876 599044004 /nfs/dbraw/zinc/04/40/04/599044004.db2.gz OCMVGFHQRJZUTQ-LBPRGKRZSA-N -1 3 378.358 3.852 20 0 GHADHM Cc1cccc(C2(O)CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c1C ZINC000822299506 599048232 /nfs/dbraw/zinc/04/82/32/599048232.db2.gz LDISHFQXWBIYFS-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM Cc1cccc(C2(O)CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c1C ZINC000822299506 599048235 /nfs/dbraw/zinc/04/82/35/599048235.db2.gz LDISHFQXWBIYFS-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM C[C@H](c1c(F)cccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736194581 599048307 /nfs/dbraw/zinc/04/83/07/599048307.db2.gz BHDCVBCGZHKKTN-MRVPVSSYSA-N -1 3 384.312 3.756 20 0 GHADHM C[C@H](c1c(F)cccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736194581 599048309 /nfs/dbraw/zinc/04/83/09/599048309.db2.gz BHDCVBCGZHKKTN-MRVPVSSYSA-N -1 3 384.312 3.756 20 0 GHADHM CCOc1cccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000736655052 599049075 /nfs/dbraw/zinc/04/90/75/599049075.db2.gz QAVQMHWBICCYQR-SNVBAGLBSA-N -1 3 378.358 3.852 20 0 GHADHM CCOc1cccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000736655052 599049078 /nfs/dbraw/zinc/04/90/78/599049078.db2.gz QAVQMHWBICCYQR-SNVBAGLBSA-N -1 3 378.358 3.852 20 0 GHADHM Cc1csc([C@@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000737454595 599051594 /nfs/dbraw/zinc/05/15/94/599051594.db2.gz CSYORCXMRSRLII-NSHDSACASA-N -1 3 395.414 3.777 20 0 GHADHM Cc1csc([C@@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000737454595 599051595 /nfs/dbraw/zinc/05/15/95/599051595.db2.gz CSYORCXMRSRLII-NSHDSACASA-N -1 3 395.414 3.777 20 0 GHADHM COc1cccc(F)c1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821873760 599055158 /nfs/dbraw/zinc/05/51/58/599055158.db2.gz XTDLGECFKHUMHX-MRVPVSSYSA-N -1 3 382.321 3.601 20 0 GHADHM COc1cccc(F)c1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821873760 599055159 /nfs/dbraw/zinc/05/51/59/599055159.db2.gz XTDLGECFKHUMHX-MRVPVSSYSA-N -1 3 382.321 3.601 20 0 GHADHM Fc1cccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000737660383 599061507 /nfs/dbraw/zinc/06/15/07/599061507.db2.gz JCANUVOVJIGWJQ-LBPRGKRZSA-N -1 3 392.360 3.715 20 0 GHADHM Fc1cccc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nn[n-]n1 ZINC000737660383 599061510 /nfs/dbraw/zinc/06/15/10/599061510.db2.gz JCANUVOVJIGWJQ-LBPRGKRZSA-N -1 3 392.360 3.715 20 0 GHADHM Fc1cccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000737660381 599061535 /nfs/dbraw/zinc/06/15/35/599061535.db2.gz JCANUVOVJIGWJQ-GFCCVEGCSA-N -1 3 392.360 3.715 20 0 GHADHM Fc1cccc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nn[n-]n1 ZINC000737660381 599061538 /nfs/dbraw/zinc/06/15/38/599061538.db2.gz JCANUVOVJIGWJQ-GFCCVEGCSA-N -1 3 392.360 3.715 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737321324 599064725 /nfs/dbraw/zinc/06/47/25/599064725.db2.gz SZWZXILWIBRNLV-ZDUSSCGKSA-N -1 3 385.468 3.592 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737321324 599064728 /nfs/dbraw/zinc/06/47/28/599064728.db2.gz SZWZXILWIBRNLV-ZDUSSCGKSA-N -1 3 385.468 3.592 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738163316 599069658 /nfs/dbraw/zinc/06/96/58/599069658.db2.gz LQAKTHBQSQRVOE-PWSUYJOCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738163316 599069661 /nfs/dbraw/zinc/06/96/61/599069661.db2.gz LQAKTHBQSQRVOE-PWSUYJOCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(c1c(F)cccc1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000738247560 599071715 /nfs/dbraw/zinc/07/17/15/599071715.db2.gz RNCLVSOPVLXNKY-UHFFFAOYSA-N -1 3 381.342 3.585 20 0 GHADHM O=C(c1c(F)cccc1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000738247560 599071718 /nfs/dbraw/zinc/07/17/18/599071718.db2.gz RNCLVSOPVLXNKY-UHFFFAOYSA-N -1 3 381.342 3.585 20 0 GHADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736350188 599077324 /nfs/dbraw/zinc/07/73/24/599077324.db2.gz KNRQBWJQABMETP-BEFAXECRSA-N -1 3 393.491 3.507 20 0 GHADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736350188 599077327 /nfs/dbraw/zinc/07/73/27/599077327.db2.gz KNRQBWJQABMETP-BEFAXECRSA-N -1 3 393.491 3.507 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000736266035 599081610 /nfs/dbraw/zinc/08/16/10/599081610.db2.gz MJQBAPGWLMRNCR-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)[C@H]1C ZINC000736266035 599081613 /nfs/dbraw/zinc/08/16/13/599081613.db2.gz MJQBAPGWLMRNCR-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000736266111 599082572 /nfs/dbraw/zinc/08/25/72/599082572.db2.gz MVCHMOZMJRLRFC-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@H]1C ZINC000736269089 599082929 /nfs/dbraw/zinc/08/29/29/599082929.db2.gz ZDNWXAOCDAXUBC-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736269089 599082932 /nfs/dbraw/zinc/08/29/32/599082932.db2.gz ZDNWXAOCDAXUBC-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccoc1)C1CCCCC1 ZINC000737800261 599085727 /nfs/dbraw/zinc/08/57/27/599085727.db2.gz QRMWRDYDQZZTQH-KHPPLWFESA-N -1 3 377.448 3.834 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccoc1)C1CCCCC1 ZINC000737800261 599085730 /nfs/dbraw/zinc/08/57/30/599085730.db2.gz QRMWRDYDQZZTQH-KHPPLWFESA-N -1 3 377.448 3.834 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C(F)(F)F)CC1 ZINC000822204236 599090100 /nfs/dbraw/zinc/09/01/00/599090100.db2.gz JBHGLKKXNOVYKC-UHFFFAOYSA-N -1 3 380.349 3.641 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(C(F)(F)F)CC1 ZINC000822204236 599090103 /nfs/dbraw/zinc/09/01/03/599090103.db2.gz JBHGLKKXNOVYKC-UHFFFAOYSA-N -1 3 380.349 3.641 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820281930 599097424 /nfs/dbraw/zinc/09/74/24/599097424.db2.gz ZJNPQDRUSGPMJK-QMMMGPOBSA-N -1 3 384.312 3.774 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820281930 599097427 /nfs/dbraw/zinc/09/74/27/599097427.db2.gz ZJNPQDRUSGPMJK-QMMMGPOBSA-N -1 3 384.312 3.774 20 0 GHADHM Fc1cc(Nc2ncnc3[nH]ccc32)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822754246 599111337 /nfs/dbraw/zinc/11/13/37/599111337.db2.gz XPPNAMIRGCSZKU-UHFFFAOYSA-N -1 3 388.366 3.813 20 0 GHADHM Fc1cc(Nc2ncnc3[nH]ccc32)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822754246 599111338 /nfs/dbraw/zinc/11/13/38/599111338.db2.gz XPPNAMIRGCSZKU-UHFFFAOYSA-N -1 3 388.366 3.813 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823066011 599128891 /nfs/dbraw/zinc/12/88/91/599128891.db2.gz IJYZCOBRFMVBEB-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823066011 599128893 /nfs/dbraw/zinc/12/88/93/599128893.db2.gz IJYZCOBRFMVBEB-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1NC(=O)OC(C)(C)C ZINC000742501933 599131870 /nfs/dbraw/zinc/13/18/70/599131870.db2.gz XHMPCCJLQCPOLS-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)OC(C)(C)C ZINC000742501933 599131872 /nfs/dbraw/zinc/13/18/72/599131872.db2.gz XHMPCCJLQCPOLS-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C1CCC(c2ccccc2)CC1 ZINC000821699509 599134931 /nfs/dbraw/zinc/13/49/31/599134931.db2.gz SSSMSDCJZAFTPA-UHFFFAOYSA-N -1 3 378.432 3.755 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C1CCC(c2ccccc2)CC1 ZINC000821699509 599134932 /nfs/dbraw/zinc/13/49/32/599134932.db2.gz SSSMSDCJZAFTPA-UHFFFAOYSA-N -1 3 378.432 3.755 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148285 599143471 /nfs/dbraw/zinc/14/34/71/599143471.db2.gz NQZDNDCKZNQYBM-AUUYWEPGSA-N -1 3 393.516 3.807 20 0 GHADHM CCN(C(=O)[C@@H]1SCCc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148285 599143474 /nfs/dbraw/zinc/14/34/74/599143474.db2.gz NQZDNDCKZNQYBM-AUUYWEPGSA-N -1 3 393.516 3.807 20 0 GHADHM CCCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821128525 599154849 /nfs/dbraw/zinc/15/48/49/599154849.db2.gz WOYMAAKIGCGYAI-CQSZACIVSA-N -1 3 381.436 3.721 20 0 GHADHM CCCOC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821128525 599154850 /nfs/dbraw/zinc/15/48/50/599154850.db2.gz WOYMAAKIGCGYAI-CQSZACIVSA-N -1 3 381.436 3.721 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738144823 599161400 /nfs/dbraw/zinc/16/14/00/599161400.db2.gz NVSODCMJEDNDAI-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738144823 599161402 /nfs/dbraw/zinc/16/14/02/599161402.db2.gz NVSODCMJEDNDAI-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM c1cc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc2c1CCC2 ZINC000738421736 599163065 /nfs/dbraw/zinc/16/30/65/599163065.db2.gz UVZPCUMWXNCDJC-UHFFFAOYSA-N -1 3 376.445 3.698 20 0 GHADHM c1cc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc2c1CCC2 ZINC000738421736 599163068 /nfs/dbraw/zinc/16/30/68/599163068.db2.gz UVZPCUMWXNCDJC-UHFFFAOYSA-N -1 3 376.445 3.698 20 0 GHADHM Cc1ccc([C@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737333286 599167562 /nfs/dbraw/zinc/16/75/62/599167562.db2.gz SRROKBQOVDTPML-GNISGLHKSA-N -1 3 391.500 3.505 20 0 GHADHM Cc1ccc([C@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737333286 599167565 /nfs/dbraw/zinc/16/75/65/599167565.db2.gz SRROKBQOVDTPML-GNISGLHKSA-N -1 3 391.500 3.505 20 0 GHADHM O=C(CNc1ccc(OC2CCCCC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737898377 599174094 /nfs/dbraw/zinc/17/40/94/599174094.db2.gz JLDIPGHDRBQEHX-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM O=C(CNc1ccc(OC2CCCCC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737898377 599174097 /nfs/dbraw/zinc/17/40/97/599174097.db2.gz JLDIPGHDRBQEHX-UHFFFAOYSA-N -1 3 392.463 3.629 20 0 GHADHM Cc1ncc(Cl)c(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737490941 599178412 /nfs/dbraw/zinc/17/84/12/599178412.db2.gz BTIWKAGBQOCZJN-UHFFFAOYSA-N -1 3 392.806 3.505 20 0 GHADHM Cc1ncc(Cl)c(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737490941 599178414 /nfs/dbraw/zinc/17/84/14/599178414.db2.gz BTIWKAGBQOCZJN-UHFFFAOYSA-N -1 3 392.806 3.505 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1cccc(F)c1 ZINC000736280880 599177700 /nfs/dbraw/zinc/17/77/00/599177700.db2.gz QYTBCKUBLCFLGK-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1cccc(F)c1 ZINC000736280880 599177702 /nfs/dbraw/zinc/17/77/02/599177702.db2.gz QYTBCKUBLCFLGK-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM COc1ccc2sc(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120171 599185496 /nfs/dbraw/zinc/18/54/96/599185496.db2.gz KYTMVTSQCRQUHV-UHFFFAOYSA-N -1 3 379.445 3.675 20 0 GHADHM COc1ccc2sc(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120171 599185498 /nfs/dbraw/zinc/18/54/98/599185498.db2.gz KYTMVTSQCRQUHV-UHFFFAOYSA-N -1 3 379.445 3.675 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000735581210 599189100 /nfs/dbraw/zinc/18/91/00/599189100.db2.gz PYUBLUWKOHDOAD-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000735581210 599189103 /nfs/dbraw/zinc/18/91/03/599189103.db2.gz PYUBLUWKOHDOAD-UHFFFAOYSA-N -1 3 389.434 3.753 20 0 GHADHM CC(C)C(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735695539 599187116 /nfs/dbraw/zinc/18/71/16/599187116.db2.gz RKPYJJQQZGXGGI-UHFFFAOYSA-N -1 3 381.440 3.610 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1Cc2ccccc21 ZINC000738182290 599190654 /nfs/dbraw/zinc/19/06/54/599190654.db2.gz BTKKMQWQCXJESF-HXUWFJFHSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1Cc2ccccc21 ZINC000738182290 599190656 /nfs/dbraw/zinc/19/06/56/599190656.db2.gz BTKKMQWQCXJESF-HXUWFJFHSA-N -1 3 383.411 3.937 20 0 GHADHM COCc1noc(-c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)n1 ZINC000737022633 599192561 /nfs/dbraw/zinc/19/25/61/599192561.db2.gz YTIAFQGBGVMOPG-UHFFFAOYSA-N -1 3 384.783 3.509 20 0 GHADHM CN(C(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000821570673 599193129 /nfs/dbraw/zinc/19/31/29/599193129.db2.gz GQKBEELCGBAXTJ-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccccc2)cc1 ZINC000821570673 599193132 /nfs/dbraw/zinc/19/31/32/599193132.db2.gz GQKBEELCGBAXTJ-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM C[C@@H]1C[C@@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736236472 599199243 /nfs/dbraw/zinc/19/92/43/599199243.db2.gz JWKKTXPLONCCRO-DGCLKSJQSA-N -1 3 383.839 3.698 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736443635 599200231 /nfs/dbraw/zinc/20/02/31/599200231.db2.gz AZRSVYJYMKXNPZ-SFHVURJKSA-N -1 3 398.555 3.902 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736443635 599200233 /nfs/dbraw/zinc/20/02/33/599200233.db2.gz AZRSVYJYMKXNPZ-SFHVURJKSA-N -1 3 398.555 3.902 20 0 GHADHM CC(C)(C)C(=O)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735585442 599209330 /nfs/dbraw/zinc/20/93/30/599209330.db2.gz BREMZMHTVSUKBZ-UHFFFAOYSA-N -1 3 397.866 3.669 20 0 GHADHM CC(C)(C)C(=O)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735585442 599209333 /nfs/dbraw/zinc/20/93/33/599209333.db2.gz BREMZMHTVSUKBZ-UHFFFAOYSA-N -1 3 397.866 3.669 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820096722 599217773 /nfs/dbraw/zinc/21/77/73/599217773.db2.gz GLODGTZNGYPFCH-ZDUSSCGKSA-N -1 3 399.426 3.798 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820096722 599217775 /nfs/dbraw/zinc/21/77/75/599217775.db2.gz GLODGTZNGYPFCH-ZDUSSCGKSA-N -1 3 399.426 3.798 20 0 GHADHM Cc1ncsc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822482580 599219225 /nfs/dbraw/zinc/21/92/25/599219225.db2.gz XBMAPIFNAMVLFZ-UHFFFAOYSA-N -1 3 396.407 3.815 20 0 GHADHM Cc1ncsc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822482580 599219228 /nfs/dbraw/zinc/21/92/28/599219228.db2.gz XBMAPIFNAMVLFZ-UHFFFAOYSA-N -1 3 396.407 3.815 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821482864 599221223 /nfs/dbraw/zinc/22/12/23/599221223.db2.gz VXUDDJZFGRCCLC-KSSFIOAISA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821482864 599221225 /nfs/dbraw/zinc/22/12/25/599221225.db2.gz VXUDDJZFGRCCLC-KSSFIOAISA-N -1 3 379.464 3.564 20 0 GHADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(Cc1ccsc1)c1ccccc1 ZINC000823498630 607264143 /nfs/dbraw/zinc/26/41/43/607264143.db2.gz WWWHJRWLBQEVSF-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(Cc1ccsc1)c1ccccc1 ZINC000823498630 607264144 /nfs/dbraw/zinc/26/41/44/607264144.db2.gz WWWHJRWLBQEVSF-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM c1sc(N[C@@H]2CCOc3ccccc32)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823802426 599237565 /nfs/dbraw/zinc/23/75/65/599237565.db2.gz NKGJTDFRGQQJIJ-OAHLLOKOSA-N -1 3 376.445 3.926 20 0 GHADHM c1sc(N[C@@H]2CCOc3ccccc32)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823802426 599237568 /nfs/dbraw/zinc/23/75/68/599237568.db2.gz NKGJTDFRGQQJIJ-OAHLLOKOSA-N -1 3 376.445 3.926 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233300 599240993 /nfs/dbraw/zinc/24/09/93/599240993.db2.gz LWKWSKQXZUFUOA-OALUTQOASA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233300 599240995 /nfs/dbraw/zinc/24/09/95/599240995.db2.gz LWKWSKQXZUFUOA-OALUTQOASA-N -1 3 376.464 3.975 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737944200 599244657 /nfs/dbraw/zinc/24/46/57/599244657.db2.gz XDRZEQHXHLGFDP-UHFFFAOYSA-N -1 3 399.907 3.675 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC1CC(c2cccc(Cl)c2)C1 ZINC000737944200 599244660 /nfs/dbraw/zinc/24/46/60/599244660.db2.gz XDRZEQHXHLGFDP-UHFFFAOYSA-N -1 3 399.907 3.675 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823308823 599244820 /nfs/dbraw/zinc/24/48/20/599244820.db2.gz KICCRVSTSASDOD-AWEZNQCLSA-N -1 3 380.477 3.513 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823308823 599244821 /nfs/dbraw/zinc/24/48/21/599244821.db2.gz KICCRVSTSASDOD-AWEZNQCLSA-N -1 3 380.477 3.513 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822084902 607280729 /nfs/dbraw/zinc/28/07/29/607280729.db2.gz RUVYPHOQABHTIC-NVXWUHKLSA-N -1 3 376.464 3.660 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822084902 607280730 /nfs/dbraw/zinc/28/07/30/607280730.db2.gz RUVYPHOQABHTIC-NVXWUHKLSA-N -1 3 376.464 3.660 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737943648 599252599 /nfs/dbraw/zinc/25/25/99/599252599.db2.gz SXJNSQXMKMYLSY-MRXNPFEDSA-N -1 3 385.880 3.586 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000737943648 599252602 /nfs/dbraw/zinc/25/26/02/599252602.db2.gz SXJNSQXMKMYLSY-MRXNPFEDSA-N -1 3 385.880 3.586 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822083889 607289071 /nfs/dbraw/zinc/28/90/71/607289071.db2.gz FBWDVWASEGAMTA-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822083889 607289072 /nfs/dbraw/zinc/28/90/72/607289072.db2.gz FBWDVWASEGAMTA-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1c(NC(=O)N2CCC(c3cccc(F)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822085073 607284099 /nfs/dbraw/zinc/28/40/99/607284099.db2.gz VYJBNKFVJVSOTF-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1c(NC(=O)N2CCC(c3cccc(F)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822085073 607284100 /nfs/dbraw/zinc/28/41/00/607284100.db2.gz VYJBNKFVJVSOTF-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM COc1cc(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1SC ZINC000821712362 607284510 /nfs/dbraw/zinc/28/45/10/607284510.db2.gz GHVJGTYUKNDLGM-UHFFFAOYSA-N -1 3 398.492 3.570 20 0 GHADHM COc1cc(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1SC ZINC000821712362 607284511 /nfs/dbraw/zinc/28/45/11/607284511.db2.gz GHVJGTYUKNDLGM-UHFFFAOYSA-N -1 3 398.492 3.570 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822084680 607285705 /nfs/dbraw/zinc/28/57/05/607285705.db2.gz NMWZDYOBKXVQRU-RHSMWYFYSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822084680 607285706 /nfs/dbraw/zinc/28/57/06/607285706.db2.gz NMWZDYOBKXVQRU-RHSMWYFYSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1c(NC(=O)NCc2nc3cc(Cl)ccc3s2)cccc1-c1nnn[n-]1 ZINC000822102740 607287042 /nfs/dbraw/zinc/28/70/42/607287042.db2.gz COURVSFGTMPEKF-UHFFFAOYSA-N -1 3 399.867 3.760 20 0 GHADHM Cc1c(NC(=O)NCc2nc3cc(Cl)ccc3s2)cccc1-c1nn[n-]n1 ZINC000822102740 607287043 /nfs/dbraw/zinc/28/70/43/607287043.db2.gz COURVSFGTMPEKF-UHFFFAOYSA-N -1 3 399.867 3.760 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389683 599262103 /nfs/dbraw/zinc/26/21/03/599262103.db2.gz NGEKZXJQPFUMMX-HXUWFJFHSA-N -1 3 391.475 3.698 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389683 599262107 /nfs/dbraw/zinc/26/21/07/599262107.db2.gz NGEKZXJQPFUMMX-HXUWFJFHSA-N -1 3 391.475 3.698 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822088873 607290151 /nfs/dbraw/zinc/29/01/51/607290151.db2.gz AQISXDCVYGFUBI-QGZVFWFLSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822088873 607290152 /nfs/dbraw/zinc/29/01/52/607290152.db2.gz AQISXDCVYGFUBI-QGZVFWFLSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)COc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737380706 599262616 /nfs/dbraw/zinc/26/26/16/599262616.db2.gz QKWCUHGLDFXQOG-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822210424 599258410 /nfs/dbraw/zinc/25/84/10/599258410.db2.gz AQJRFZRXQZMADW-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822210424 599258412 /nfs/dbraw/zinc/25/84/12/599258412.db2.gz AQJRFZRXQZMADW-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cccc1-c1nnn[n-]1 ZINC000822092770 607292553 /nfs/dbraw/zinc/29/25/53/607292553.db2.gz YZLCHSCKZBBPKN-OAHLLOKOSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cccc1-c1nn[n-]n1 ZINC000822092770 607292554 /nfs/dbraw/zinc/29/25/54/607292554.db2.gz YZLCHSCKZBBPKN-OAHLLOKOSA-N -1 3 384.440 3.673 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)COc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737380706 599262619 /nfs/dbraw/zinc/26/26/19/599262619.db2.gz QKWCUHGLDFXQOG-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822422662 607295464 /nfs/dbraw/zinc/29/54/64/607295464.db2.gz BGAQZFMUJHDWRR-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822422662 607295465 /nfs/dbraw/zinc/29/54/65/607295465.db2.gz BGAQZFMUJHDWRR-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820571292 607301047 /nfs/dbraw/zinc/30/10/47/607301047.db2.gz XNXJXJHMOOSGRG-CYBMUJFWSA-N -1 3 396.882 3.919 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820571292 607301048 /nfs/dbraw/zinc/30/10/48/607301048.db2.gz XNXJXJHMOOSGRG-CYBMUJFWSA-N -1 3 396.882 3.919 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820666760 599262951 /nfs/dbraw/zinc/26/29/51/599262951.db2.gz JNOYIDWKPFDTGL-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820666760 599262952 /nfs/dbraw/zinc/26/29/52/599262952.db2.gz JNOYIDWKPFDTGL-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM Fc1ccc([C@H]2CCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000822766616 607307487 /nfs/dbraw/zinc/30/74/87/607307487.db2.gz LCBJNTAPKUNHOM-OAHLLOKOSA-N -1 3 376.798 3.925 20 0 GHADHM Fc1ccc([C@H]2CCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822766616 607307488 /nfs/dbraw/zinc/30/74/88/607307488.db2.gz LCBJNTAPKUNHOM-OAHLLOKOSA-N -1 3 376.798 3.925 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820876064 599264828 /nfs/dbraw/zinc/26/48/28/599264828.db2.gz KZVAZNBMYFEEQI-ZIAGYGMSSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820876064 599264830 /nfs/dbraw/zinc/26/48/30/599264830.db2.gz KZVAZNBMYFEEQI-ZIAGYGMSSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820875977 599266533 /nfs/dbraw/zinc/26/65/33/599266533.db2.gz JMCJCRXEUKRROQ-UONOGXRCSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820875977 599266534 /nfs/dbraw/zinc/26/65/34/599266534.db2.gz JMCJCRXEUKRROQ-UONOGXRCSA-N -1 3 380.452 3.927 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821453928 599265603 /nfs/dbraw/zinc/26/56/03/599265603.db2.gz BTUAOEYYEVBTCF-CYBMUJFWSA-N -1 3 392.529 3.649 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821453928 599265605 /nfs/dbraw/zinc/26/56/05/599265605.db2.gz BTUAOEYYEVBTCF-CYBMUJFWSA-N -1 3 392.529 3.649 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819951317 607316766 /nfs/dbraw/zinc/31/67/66/607316766.db2.gz SDBCXPHQELWCBL-VWLOTQADSA-N -1 3 375.523 3.588 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821407232 599267005 /nfs/dbraw/zinc/26/70/05/599267005.db2.gz PCUDMHHILFJFCN-KRWDZBQOSA-N -1 3 392.463 3.928 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000821407232 599267007 /nfs/dbraw/zinc/26/70/07/599267007.db2.gz PCUDMHHILFJFCN-KRWDZBQOSA-N -1 3 392.463 3.928 20 0 GHADHM COc1ccc(CNc2ccccc2N(C)C2CCCC2)cc1-c1nnn[n-]1 ZINC000821824130 607318518 /nfs/dbraw/zinc/31/85/18/607318518.db2.gz HNAVOUHDGKJGCX-UHFFFAOYSA-N -1 3 378.480 3.866 20 0 GHADHM COc1ccc(CNc2ccccc2N(C)C2CCCC2)cc1-c1nn[n-]n1 ZINC000821824130 607318519 /nfs/dbraw/zinc/31/85/19/607318519.db2.gz HNAVOUHDGKJGCX-UHFFFAOYSA-N -1 3 378.480 3.866 20 0 GHADHM CO[C@@H](C)COC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000821673595 607320314 /nfs/dbraw/zinc/32/03/14/607320314.db2.gz GHWBMGFRYZVZBK-NSHDSACASA-N -1 3 388.811 3.504 20 0 GHADHM C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190977 599286892 /nfs/dbraw/zinc/28/68/92/599286892.db2.gz GKQIQQSWSNEEHF-GFCCVEGCSA-N -1 3 390.476 3.708 20 0 GHADHM C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190977 599286893 /nfs/dbraw/zinc/28/68/93/599286893.db2.gz GKQIQQSWSNEEHF-GFCCVEGCSA-N -1 3 390.476 3.708 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820698948 599288002 /nfs/dbraw/zinc/28/80/02/599288002.db2.gz WUUSOTJFCLCNOZ-JQWIXIFHSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820698948 599288004 /nfs/dbraw/zinc/28/80/04/599288004.db2.gz WUUSOTJFCLCNOZ-JQWIXIFHSA-N -1 3 382.390 3.928 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823498476 607321343 /nfs/dbraw/zinc/32/13/43/607321343.db2.gz RGLWBVWAVHMLPG-CQSZACIVSA-N -1 3 375.404 3.574 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823498476 607321344 /nfs/dbraw/zinc/32/13/44/607321344.db2.gz RGLWBVWAVHMLPG-CQSZACIVSA-N -1 3 375.404 3.574 20 0 GHADHM CCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000736460424 599291381 /nfs/dbraw/zinc/29/13/81/599291381.db2.gz KYUSUBXYIKELNV-GFCCVEGCSA-N -1 3 391.541 3.834 20 0 GHADHM CCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000736460424 599291383 /nfs/dbraw/zinc/29/13/83/599291383.db2.gz KYUSUBXYIKELNV-GFCCVEGCSA-N -1 3 391.541 3.834 20 0 GHADHM Cc1cscc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826320754 607339119 /nfs/dbraw/zinc/33/91/19/607339119.db2.gz CHWCOOHFOSTZTM-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1cscc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826320754 607339121 /nfs/dbraw/zinc/33/91/21/607339121.db2.gz CHWCOOHFOSTZTM-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(CCc1nccs1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737860889 598232488 /nfs/dbraw/zinc/23/24/88/598232488.db2.gz ZUUWUOKMMVLPKD-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM O=C(CCc1nccs1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737860889 598232489 /nfs/dbraw/zinc/23/24/89/598232489.db2.gz ZUUWUOKMMVLPKD-UHFFFAOYSA-N -1 3 392.444 3.687 20 0 GHADHM C[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CCCCC1 ZINC000735973847 598237065 /nfs/dbraw/zinc/23/70/65/598237065.db2.gz HYIRVLIOYZCRHJ-INIZCTEOSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CCCCC1 ZINC000735973847 598237066 /nfs/dbraw/zinc/23/70/66/598237066.db2.gz HYIRVLIOYZCRHJ-INIZCTEOSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@@H](c1ccc(F)cc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736199430 598250109 /nfs/dbraw/zinc/25/01/09/598250109.db2.gz OOFHCKNLNOBWAZ-ZDUSSCGKSA-N -1 3 385.418 3.749 20 0 GHADHM Cc1nc(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)oc1C ZINC000737483430 598254491 /nfs/dbraw/zinc/25/44/91/598254491.db2.gz WIEFKSQKVCXDGD-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM O=C(NCc1ccco1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738124359 598254508 /nfs/dbraw/zinc/25/45/08/598254508.db2.gz PNLJPGNGULIDQG-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM O=C(NCc1ccco1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124359 598254510 /nfs/dbraw/zinc/25/45/10/598254510.db2.gz PNLJPGNGULIDQG-UHFFFAOYSA-N -1 3 376.376 3.574 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737291701 598265943 /nfs/dbraw/zinc/26/59/43/598265943.db2.gz NIDCWADMQFLXDS-SFHVURJKSA-N -1 3 380.427 3.977 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737291701 598265944 /nfs/dbraw/zinc/26/59/44/598265944.db2.gz NIDCWADMQFLXDS-SFHVURJKSA-N -1 3 380.427 3.977 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2c1cccc2C ZINC000736480046 598272937 /nfs/dbraw/zinc/27/29/37/598272937.db2.gz IZABZEQKBTYTBP-HXUWFJFHSA-N -1 3 390.491 3.784 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2c1cccc2C ZINC000736480046 598272939 /nfs/dbraw/zinc/27/29/39/598272939.db2.gz IZABZEQKBTYTBP-HXUWFJFHSA-N -1 3 390.491 3.784 20 0 GHADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736655452 598281251 /nfs/dbraw/zinc/28/12/51/598281251.db2.gz SVXPXSVNUNDPQB-CYBMUJFWSA-N -1 3 397.483 3.705 20 0 GHADHM CCOc1ccccc1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736655452 598281252 /nfs/dbraw/zinc/28/12/52/598281252.db2.gz SVXPXSVNUNDPQB-CYBMUJFWSA-N -1 3 397.483 3.705 20 0 GHADHM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739846 598281922 /nfs/dbraw/zinc/28/19/22/598281922.db2.gz UXZHRXMHYLMLLZ-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739846 598281923 /nfs/dbraw/zinc/28/19/23/598281923.db2.gz UXZHRXMHYLMLLZ-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736425243 598284667 /nfs/dbraw/zinc/28/46/67/598284667.db2.gz UJJXZSXZZHGAON-GJZGRUSLSA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736425243 598284668 /nfs/dbraw/zinc/28/46/68/598284668.db2.gz UJJXZSXZZHGAON-GJZGRUSLSA-N -1 3 394.479 3.764 20 0 GHADHM O=C(Cc1cccc(O)c1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737969107 598287533 /nfs/dbraw/zinc/28/75/33/598287533.db2.gz NWISYIQXWQHRML-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM C[C@H](CNC(=O)c1sccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000736026640 598296885 /nfs/dbraw/zinc/29/68/85/598296885.db2.gz WDYLQNYOOUGWPL-MRVPVSSYSA-N -1 3 382.276 3.769 20 0 GHADHM C[C@H](CNC(=O)c1sccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000736026640 598296884 /nfs/dbraw/zinc/29/68/84/598296884.db2.gz WDYLQNYOOUGWPL-MRVPVSSYSA-N -1 3 382.276 3.769 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1F)c1ccccc1F ZINC000738253642 598298744 /nfs/dbraw/zinc/29/87/44/598298744.db2.gz FGDULLZTJVAEDG-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1F)c1ccccc1F ZINC000738253642 598298746 /nfs/dbraw/zinc/29/87/46/598298746.db2.gz FGDULLZTJVAEDG-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM C[C@H](O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736147276 598301850 /nfs/dbraw/zinc/30/18/50/598301850.db2.gz LWXRWCJLFKMYTR-HNNXBMFYSA-N -1 3 399.454 3.517 20 0 GHADHM C[C@H](O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736147276 598301851 /nfs/dbraw/zinc/30/18/51/598301851.db2.gz LWXRWCJLFKMYTR-HNNXBMFYSA-N -1 3 399.454 3.517 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000738100843 598309849 /nfs/dbraw/zinc/30/98/49/598309849.db2.gz SPSYTKJIGMOWSQ-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000738100843 598309850 /nfs/dbraw/zinc/30/98/50/598309850.db2.gz SPSYTKJIGMOWSQ-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000737639799 598311050 /nfs/dbraw/zinc/31/10/50/598311050.db2.gz GFMIYWYQVYGCBK-UHFFFAOYSA-N -1 3 381.440 3.501 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000737639799 598311052 /nfs/dbraw/zinc/31/10/52/598311052.db2.gz GFMIYWYQVYGCBK-UHFFFAOYSA-N -1 3 381.440 3.501 20 0 GHADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736121375 598312157 /nfs/dbraw/zinc/31/21/57/598312157.db2.gz CFVSEAYVMCYQAF-AWEZNQCLSA-N -1 3 385.427 3.730 20 0 GHADHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000736121375 598312159 /nfs/dbraw/zinc/31/21/59/598312159.db2.gz CFVSEAYVMCYQAF-AWEZNQCLSA-N -1 3 385.427 3.730 20 0 GHADHM CCOc1ccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000736635018 598313343 /nfs/dbraw/zinc/31/33/43/598313343.db2.gz QMAVQCBSBYDTFQ-UHFFFAOYSA-N -1 3 394.460 3.749 20 0 GHADHM CCOc1ccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000736635018 598313345 /nfs/dbraw/zinc/31/33/45/598313345.db2.gz QMAVQCBSBYDTFQ-UHFFFAOYSA-N -1 3 394.460 3.749 20 0 GHADHM S=C(Nc1cccc(-c2cnco2)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738407153 598323177 /nfs/dbraw/zinc/32/31/77/598323177.db2.gz GIFWQTNQJRNUMQ-UHFFFAOYSA-N -1 3 397.851 3.984 20 0 GHADHM S=C(Nc1cccc(-c2cnco2)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738407153 598323178 /nfs/dbraw/zinc/32/31/78/598323178.db2.gz GIFWQTNQJRNUMQ-UHFFFAOYSA-N -1 3 397.851 3.984 20 0 GHADHM CC(C)c1nc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000735942416 598328658 /nfs/dbraw/zinc/32/86/58/598328658.db2.gz IXAJZWPBVOHXKZ-UHFFFAOYSA-N -1 3 395.398 3.592 20 0 GHADHM CC(C)c1nc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000735942416 598328660 /nfs/dbraw/zinc/32/86/60/598328660.db2.gz IXAJZWPBVOHXKZ-UHFFFAOYSA-N -1 3 395.398 3.592 20 0 GHADHM COc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c(C(F)(F)F)c1 ZINC000737095318 598352813 /nfs/dbraw/zinc/35/28/13/598352813.db2.gz IDRJVMVVEONHFF-UHFFFAOYSA-N -1 3 385.296 3.784 20 0 GHADHM COc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c(C(F)(F)F)c1 ZINC000737095318 598352814 /nfs/dbraw/zinc/35/28/14/598352814.db2.gz IDRJVMVVEONHFF-UHFFFAOYSA-N -1 3 385.296 3.784 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736389670 598358975 /nfs/dbraw/zinc/35/89/75/598358975.db2.gz CMYVLUSJKNYPCK-SFHVURJKSA-N -1 3 397.454 3.950 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736389670 598358976 /nfs/dbraw/zinc/35/89/76/598358976.db2.gz CMYVLUSJKNYPCK-SFHVURJKSA-N -1 3 397.454 3.950 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000738152107 598360972 /nfs/dbraw/zinc/36/09/72/598360972.db2.gz NOKKUEBXCFECMX-DLBZAZTESA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000738152107 598360974 /nfs/dbraw/zinc/36/09/74/598360974.db2.gz NOKKUEBXCFECMX-DLBZAZTESA-N -1 3 398.854 3.562 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(-c2ccccc2)sc1=S ZINC000736822282 598362628 /nfs/dbraw/zinc/36/26/28/598362628.db2.gz KXQYSMNQWOSJTL-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(-c2ccccc2)sc1=S ZINC000736822282 598362630 /nfs/dbraw/zinc/36/26/30/598362630.db2.gz KXQYSMNQWOSJTL-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736389732 598373631 /nfs/dbraw/zinc/37/36/31/598373631.db2.gz DEHSNORUPXVYAT-SFHVURJKSA-N -1 3 380.448 3.891 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736389732 598373632 /nfs/dbraw/zinc/37/36/32/598373632.db2.gz DEHSNORUPXVYAT-SFHVURJKSA-N -1 3 380.448 3.891 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(Cl)cc(Cl)c1 ZINC000738321745 598379433 /nfs/dbraw/zinc/37/94/33/598379433.db2.gz YEUXPZXWSQDADB-AUWJEWJLSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(Cl)cc(Cl)c1 ZINC000738321745 598379434 /nfs/dbraw/zinc/37/94/34/598379434.db2.gz YEUXPZXWSQDADB-AUWJEWJLSA-N -1 3 386.198 3.518 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000737854324 598385998 /nfs/dbraw/zinc/38/59/98/598385998.db2.gz XBGHMPMNQUUGTA-UHFFFAOYSA-N -1 3 395.894 3.691 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000737854324 598385999 /nfs/dbraw/zinc/38/59/99/598385999.db2.gz XBGHMPMNQUUGTA-UHFFFAOYSA-N -1 3 395.894 3.691 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735905948 598391887 /nfs/dbraw/zinc/39/18/87/598391887.db2.gz NVCIUBPPYMOVHB-MRXNPFEDSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735905948 598391888 /nfs/dbraw/zinc/39/18/88/598391888.db2.gz NVCIUBPPYMOVHB-MRXNPFEDSA-N -1 3 396.426 3.602 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737634679 598394304 /nfs/dbraw/zinc/39/43/04/598394304.db2.gz AAURGFAWLNISAR-MFKMUULPSA-N -1 3 380.761 3.902 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737634679 598394306 /nfs/dbraw/zinc/39/43/06/598394306.db2.gz AAURGFAWLNISAR-MFKMUULPSA-N -1 3 380.761 3.902 20 0 GHADHM C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737196507 598423289 /nfs/dbraw/zinc/42/32/89/598423289.db2.gz NGWGQBUQEMWGOM-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737196507 598423290 /nfs/dbraw/zinc/42/32/90/598423290.db2.gz NGWGQBUQEMWGOM-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM COc1ccc(C)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737077686 598426665 /nfs/dbraw/zinc/42/66/65/598426665.db2.gz SMLXZWYCINRHPZ-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM COc1ccc(C)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737077686 598426667 /nfs/dbraw/zinc/42/66/67/598426667.db2.gz SMLXZWYCINRHPZ-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735736950 598442210 /nfs/dbraw/zinc/44/22/10/598442210.db2.gz XHHANKBLKIWOPO-LJQANCHMSA-N -1 3 395.532 3.783 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735736950 598442211 /nfs/dbraw/zinc/44/22/11/598442211.db2.gz XHHANKBLKIWOPO-LJQANCHMSA-N -1 3 395.532 3.783 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735736949 598442466 /nfs/dbraw/zinc/44/24/66/598442466.db2.gz XHHANKBLKIWOPO-IBGZPJMESA-N -1 3 395.532 3.783 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735736949 598442468 /nfs/dbraw/zinc/44/24/68/598442468.db2.gz XHHANKBLKIWOPO-IBGZPJMESA-N -1 3 395.532 3.783 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000736815356 598443053 /nfs/dbraw/zinc/44/30/53/598443053.db2.gz YDFUPWAPLCLOOI-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000736815356 598443055 /nfs/dbraw/zinc/44/30/55/598443055.db2.gz YDFUPWAPLCLOOI-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM Cc1cccc(C2(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737388538 598447693 /nfs/dbraw/zinc/44/76/93/598447693.db2.gz FMSBZADVCDCKFK-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM Cc1cccc(C2(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737388538 598447694 /nfs/dbraw/zinc/44/76/94/598447694.db2.gz FMSBZADVCDCKFK-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730613 598451323 /nfs/dbraw/zinc/45/13/23/598451323.db2.gz BCSQHUVHJXYSSG-ZWKOTPCHSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730613 598451325 /nfs/dbraw/zinc/45/13/25/598451325.db2.gz BCSQHUVHJXYSSG-ZWKOTPCHSA-N -1 3 387.418 3.926 20 0 GHADHM COc1c(C)ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000737023381 598476228 /nfs/dbraw/zinc/47/62/28/598476228.db2.gz MHZTUSDUYCMFRD-UHFFFAOYSA-N -1 3 392.463 3.689 20 0 GHADHM COc1c(C)ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C ZINC000737023381 598476229 /nfs/dbraw/zinc/47/62/29/598476229.db2.gz MHZTUSDUYCMFRD-UHFFFAOYSA-N -1 3 392.463 3.689 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(SC(F)F)c1 ZINC000738100557 598477048 /nfs/dbraw/zinc/47/70/48/598477048.db2.gz QTGPFDKMUNAXMJ-UHFFFAOYSA-N -1 3 376.392 3.503 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(SC(F)F)c1 ZINC000738100557 598477049 /nfs/dbraw/zinc/47/70/49/598477049.db2.gz QTGPFDKMUNAXMJ-UHFFFAOYSA-N -1 3 376.392 3.503 20 0 GHADHM CC[C@@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736348875 598478257 /nfs/dbraw/zinc/47/82/57/598478257.db2.gz CQMKNMRNLBJGOP-KRWDZBQOSA-N -1 3 390.491 3.735 20 0 GHADHM CC[C@@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736348875 598478259 /nfs/dbraw/zinc/47/82/59/598478259.db2.gz CQMKNMRNLBJGOP-KRWDZBQOSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000735987606 598479626 /nfs/dbraw/zinc/47/96/26/598479626.db2.gz VQWGBJIMVUSHGI-INIZCTEOSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000735987606 598479628 /nfs/dbraw/zinc/47/96/28/598479628.db2.gz VQWGBJIMVUSHGI-INIZCTEOSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](OC(=O)CCCOCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153281 598484032 /nfs/dbraw/zinc/48/40/32/598484032.db2.gz XNCAKHZLEVQYGA-MRXNPFEDSA-N -1 3 380.448 3.510 20 0 GHADHM C[C@@H](OC(=O)CCCOCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153281 598484034 /nfs/dbraw/zinc/48/40/34/598484034.db2.gz XNCAKHZLEVQYGA-MRXNPFEDSA-N -1 3 380.448 3.510 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736390142 598484816 /nfs/dbraw/zinc/48/48/16/598484816.db2.gz HDUZKCMVCKOPMN-SFHVURJKSA-N -1 3 380.448 3.891 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736390142 598484818 /nfs/dbraw/zinc/48/48/18/598484818.db2.gz HDUZKCMVCKOPMN-SFHVURJKSA-N -1 3 380.448 3.891 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737565492 598486909 /nfs/dbraw/zinc/48/69/09/598486909.db2.gz ZNQHDUYQRLDLAD-UHFFFAOYSA-N -1 3 397.464 3.700 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737565492 598486911 /nfs/dbraw/zinc/48/69/11/598486911.db2.gz ZNQHDUYQRLDLAD-UHFFFAOYSA-N -1 3 397.464 3.700 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154770 598487929 /nfs/dbraw/zinc/48/79/29/598487929.db2.gz BXQQWAVWFKBVCL-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154770 598487930 /nfs/dbraw/zinc/48/79/30/598487930.db2.gz BXQQWAVWFKBVCL-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546651 598488364 /nfs/dbraw/zinc/48/83/64/598488364.db2.gz FOMNWIBHEHHBLT-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546651 598488365 /nfs/dbraw/zinc/48/83/65/598488365.db2.gz FOMNWIBHEHHBLT-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737488617 598491303 /nfs/dbraw/zinc/49/13/03/598491303.db2.gz SQAFNUCDZLWRPO-GFCCVEGCSA-N -1 3 377.379 3.780 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737488617 598491305 /nfs/dbraw/zinc/49/13/05/598491305.db2.gz SQAFNUCDZLWRPO-GFCCVEGCSA-N -1 3 377.379 3.780 20 0 GHADHM Clc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737573604 598507008 /nfs/dbraw/zinc/50/70/08/598507008.db2.gz ACRWHCHGYCMKBA-OAHLLOKOSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737573604 598507010 /nfs/dbraw/zinc/50/70/10/598507010.db2.gz ACRWHCHGYCMKBA-OAHLLOKOSA-N -1 3 383.839 3.633 20 0 GHADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738157829 598511636 /nfs/dbraw/zinc/51/16/36/598511636.db2.gz BOYZKFSUXRQAQS-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738157829 598511640 /nfs/dbraw/zinc/51/16/40/598511640.db2.gz BOYZKFSUXRQAQS-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738157897 598511807 /nfs/dbraw/zinc/51/18/07/598511807.db2.gz CJXCDWYCFWTMSR-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738157897 598511809 /nfs/dbraw/zinc/51/18/09/598511809.db2.gz CJXCDWYCFWTMSR-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM CCOc1ccc(CCC(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1 ZINC000736643025 598514077 /nfs/dbraw/zinc/51/40/77/598514077.db2.gz BXRPXFVTYILODY-UHFFFAOYSA-N -1 3 385.493 3.769 20 0 GHADHM CCOc1ccc(CCC(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1 ZINC000736643025 598514079 /nfs/dbraw/zinc/51/40/79/598514079.db2.gz BXRPXFVTYILODY-UHFFFAOYSA-N -1 3 385.493 3.769 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738248178 598519199 /nfs/dbraw/zinc/51/91/99/598519199.db2.gz WMYNRZNTXQSMAJ-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738248178 598519200 /nfs/dbraw/zinc/51/92/00/598519200.db2.gz WMYNRZNTXQSMAJ-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730987 598533554 /nfs/dbraw/zinc/53/35/54/598533554.db2.gz FLLNRRKRFHYDKF-QZTJIDSGSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730987 598533555 /nfs/dbraw/zinc/53/35/55/598533555.db2.gz FLLNRRKRFHYDKF-QZTJIDSGSA-N -1 3 387.418 3.926 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000735618113 598535468 /nfs/dbraw/zinc/53/54/68/598535468.db2.gz HSTMGMRJCFZSPU-UHFFFAOYSA-N -1 3 376.420 3.849 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000735618113 598535470 /nfs/dbraw/zinc/53/54/70/598535470.db2.gz HSTMGMRJCFZSPU-UHFFFAOYSA-N -1 3 376.420 3.849 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736252988 598538656 /nfs/dbraw/zinc/53/86/56/598538656.db2.gz SKBKLTJDUUQQBI-GDBMZVCRSA-N -1 3 395.463 3.689 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738247830 598541254 /nfs/dbraw/zinc/54/12/54/598541254.db2.gz UATYATYYCCYUKX-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CSC(C)C ZINC000737279351 598542445 /nfs/dbraw/zinc/54/24/45/598542445.db2.gz KFIXLYIJOXWPGE-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CSC(C)C ZINC000737279351 598542446 /nfs/dbraw/zinc/54/24/46/598542446.db2.gz KFIXLYIJOXWPGE-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000737853433 598543062 /nfs/dbraw/zinc/54/30/62/598543062.db2.gz LRPQPAQCKSXAED-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000737853433 598543063 /nfs/dbraw/zinc/54/30/63/598543063.db2.gz LRPQPAQCKSXAED-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737468298 598545386 /nfs/dbraw/zinc/54/53/86/598545386.db2.gz UEGUSNJWLCERFC-UHFFFAOYSA-N -1 3 394.407 3.609 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737468298 598545387 /nfs/dbraw/zinc/54/53/87/598545387.db2.gz UEGUSNJWLCERFC-UHFFFAOYSA-N -1 3 394.407 3.609 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000737221316 598551144 /nfs/dbraw/zinc/55/11/44/598551144.db2.gz LEGIHBNOPUPFPX-UHFFFAOYSA-N -1 3 381.399 3.973 20 0 GHADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1ccccc1-c1ccccc1 ZINC000737920240 598551161 /nfs/dbraw/zinc/55/11/61/598551161.db2.gz SWRYHAGQZCKZPX-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1ccccc1-c1ccccc1 ZINC000737920240 598551163 /nfs/dbraw/zinc/55/11/63/598551163.db2.gz SWRYHAGQZCKZPX-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM CSC[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000737180995 598553603 /nfs/dbraw/zinc/55/36/03/598553603.db2.gz VHUIXMZTQYBXSN-AWEZNQCLSA-N -1 3 399.495 3.847 20 0 GHADHM CSC[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000737180995 598553605 /nfs/dbraw/zinc/55/36/05/598553605.db2.gz VHUIXMZTQYBXSN-AWEZNQCLSA-N -1 3 399.495 3.847 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)N1CCCC1 ZINC000738173825 598555095 /nfs/dbraw/zinc/55/50/95/598555095.db2.gz SJVXTWSICZCEFL-UHFFFAOYSA-N -1 3 398.854 3.727 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)N1CCCC1 ZINC000738173825 598555097 /nfs/dbraw/zinc/55/50/97/598555097.db2.gz SJVXTWSICZCEFL-UHFFFAOYSA-N -1 3 398.854 3.727 20 0 GHADHM Fc1cc(OCc2cn3cc(Cl)cc(Cl)c3n2)ccc1-c1nnn[n-]1 ZINC000737649041 598558934 /nfs/dbraw/zinc/55/89/34/598558934.db2.gz CZNPGEABPOWNAI-UHFFFAOYSA-N -1 3 379.182 3.539 20 0 GHADHM Fc1cc(OCc2cn3cc(Cl)cc(Cl)c3n2)ccc1-c1nn[n-]n1 ZINC000737649041 598558935 /nfs/dbraw/zinc/55/89/35/598558935.db2.gz CZNPGEABPOWNAI-UHFFFAOYSA-N -1 3 379.182 3.539 20 0 GHADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CCCCCC1 ZINC000736739816 598560319 /nfs/dbraw/zinc/56/03/19/598560319.db2.gz TUWXDVFLEGPEQZ-UHFFFAOYSA-N -1 3 380.399 3.655 20 0 GHADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CCCCCC1 ZINC000736739816 598560320 /nfs/dbraw/zinc/56/03/20/598560320.db2.gz TUWXDVFLEGPEQZ-UHFFFAOYSA-N -1 3 380.399 3.655 20 0 GHADHM FC(F)(F)c1cc(NC2CCN(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737632198 598576973 /nfs/dbraw/zinc/57/69/73/598576973.db2.gz LCTHFEXODFCWTG-UHFFFAOYSA-N -1 3 388.397 3.966 20 0 GHADHM FC(F)(F)c1cc(NC2CCN(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737632198 598576976 /nfs/dbraw/zinc/57/69/76/598576976.db2.gz LCTHFEXODFCWTG-UHFFFAOYSA-N -1 3 388.397 3.966 20 0 GHADHM CN(CCc1ccccc1F)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736806253 598586048 /nfs/dbraw/zinc/58/60/48/598586048.db2.gz NBELPYHAEVBRRR-UHFFFAOYSA-N -1 3 390.875 3.531 20 0 GHADHM CN(CCc1ccccc1F)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736806253 598586050 /nfs/dbraw/zinc/58/60/50/598586050.db2.gz NBELPYHAEVBRRR-UHFFFAOYSA-N -1 3 390.875 3.531 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737181214 598590553 /nfs/dbraw/zinc/59/05/53/598590553.db2.gz IPGPXBABAMWIQN-UHFFFAOYSA-N -1 3 383.408 3.867 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737181214 598590555 /nfs/dbraw/zinc/59/05/55/598590555.db2.gz IPGPXBABAMWIQN-UHFFFAOYSA-N -1 3 383.408 3.867 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000738165315 598591765 /nfs/dbraw/zinc/59/17/65/598591765.db2.gz BYBVLKLKQQZICS-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000738165315 598591767 /nfs/dbraw/zinc/59/17/67/598591767.db2.gz BYBVLKLKQQZICS-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CCc1cc2oc(=O)cc(CNc3ccc(F)c(-c4nnn[n-]4)c3)c2cc1Cl ZINC000736677762 598593268 /nfs/dbraw/zinc/59/32/68/598593268.db2.gz NBZVUUSDCAGYLA-UHFFFAOYSA-N -1 3 399.813 3.940 20 0 GHADHM CCc1cc2oc(=O)cc(CNc3ccc(F)c(-c4nn[n-]n4)c3)c2cc1Cl ZINC000736677762 598593270 /nfs/dbraw/zinc/59/32/70/598593270.db2.gz NBZVUUSDCAGYLA-UHFFFAOYSA-N -1 3 399.813 3.940 20 0 GHADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)Sc1ccc(Br)cc1 ZINC000736026947 598593344 /nfs/dbraw/zinc/59/33/44/598593344.db2.gz SKANOGOPPQJYNX-SNVBAGLBSA-N -1 3 391.298 3.617 20 0 GHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)Sc1ccc(Br)cc1 ZINC000736026947 598593345 /nfs/dbraw/zinc/59/33/45/598593345.db2.gz SKANOGOPPQJYNX-SNVBAGLBSA-N -1 3 391.298 3.617 20 0 GHADHM CCC[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736419948 598593495 /nfs/dbraw/zinc/59/34/95/598593495.db2.gz PIXAEUTVTKRAFX-ZDUSSCGKSA-N -1 3 383.427 3.960 20 0 GHADHM CCC[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736419948 598593496 /nfs/dbraw/zinc/59/34/96/598593496.db2.gz PIXAEUTVTKRAFX-ZDUSSCGKSA-N -1 3 383.427 3.960 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000735850448 598598632 /nfs/dbraw/zinc/59/86/32/598598632.db2.gz FIPGKPPEVGRJRL-UHFFFAOYSA-N -1 3 378.411 3.869 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000735850448 598598634 /nfs/dbraw/zinc/59/86/34/598598634.db2.gz FIPGKPPEVGRJRL-UHFFFAOYSA-N -1 3 378.411 3.869 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCc1cccc(F)c1 ZINC000735906795 598598992 /nfs/dbraw/zinc/59/89/92/598598992.db2.gz WYAYPYFQHVROKE-UHFFFAOYSA-N -1 3 398.442 3.547 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCc1cccc(F)c1 ZINC000735906795 598598994 /nfs/dbraw/zinc/59/89/94/598598994.db2.gz WYAYPYFQHVROKE-UHFFFAOYSA-N -1 3 398.442 3.547 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(Cc2cccc3cccnc32)no1 ZINC000736171096 598609610 /nfs/dbraw/zinc/60/96/10/598609610.db2.gz ZDNDORPJCAKRMT-ZDUSSCGKSA-N -1 3 399.414 3.529 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112561 598622530 /nfs/dbraw/zinc/62/25/30/598622530.db2.gz JHAFBHDZWKCUGD-CYBMUJFWSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112561 598622531 /nfs/dbraw/zinc/62/25/31/598622531.db2.gz JHAFBHDZWKCUGD-CYBMUJFWSA-N -1 3 396.882 3.960 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816225 598624344 /nfs/dbraw/zinc/62/43/44/598624344.db2.gz ARKTXERFRIJDAU-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816225 598624346 /nfs/dbraw/zinc/62/43/46/598624346.db2.gz ARKTXERFRIJDAU-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000737523856 598632413 /nfs/dbraw/zinc/63/24/13/598632413.db2.gz UMAPVYUGRVMAKJ-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000737523856 598632415 /nfs/dbraw/zinc/63/24/15/598632415.db2.gz UMAPVYUGRVMAKJ-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1cc(C)cc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737250898 598645095 /nfs/dbraw/zinc/64/50/95/598645095.db2.gz QINCUAUTULXCPH-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM Cc1cc(C)cc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737250898 598645097 /nfs/dbraw/zinc/64/50/97/598645097.db2.gz QINCUAUTULXCPH-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)[C@H](c1ccccc1)C(F)(F)F ZINC000736741851 598645745 /nfs/dbraw/zinc/64/57/45/598645745.db2.gz UMEBYQXPABCUTK-CQSZACIVSA-N -1 3 392.410 3.799 20 0 GHADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)[C@H](c1ccccc1)C(F)(F)F ZINC000736741851 598645747 /nfs/dbraw/zinc/64/57/47/598645747.db2.gz UMEBYQXPABCUTK-CQSZACIVSA-N -1 3 392.410 3.799 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3cccnc3)c2-c2nnn[n-]2)C1 ZINC000735597406 598646432 /nfs/dbraw/zinc/64/64/32/598646432.db2.gz OFNSHVZJRGBYMF-ZDUSSCGKSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3cccnc3)c2-c2nn[n-]n2)C1 ZINC000735597406 598646433 /nfs/dbraw/zinc/64/64/33/598646433.db2.gz OFNSHVZJRGBYMF-ZDUSSCGKSA-N -1 3 396.520 3.655 20 0 GHADHM O=C(NCCc1ccccc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738089173 598646823 /nfs/dbraw/zinc/64/68/23/598646823.db2.gz VHFVPRXBDRNUQJ-UHFFFAOYSA-N -1 3 385.427 3.632 20 0 GHADHM O=C(NCCc1ccccc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738089173 598646825 /nfs/dbraw/zinc/64/68/25/598646825.db2.gz VHFVPRXBDRNUQJ-UHFFFAOYSA-N -1 3 385.427 3.632 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc2ncccc21 ZINC000737833175 598647111 /nfs/dbraw/zinc/64/71/11/598647111.db2.gz PWCDKMGHGXIAJL-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc2ncccc21 ZINC000737833175 598647113 /nfs/dbraw/zinc/64/71/13/598647113.db2.gz PWCDKMGHGXIAJL-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@@H]1C ZINC000736251964 598647720 /nfs/dbraw/zinc/64/77/20/598647720.db2.gz JMDZPCWMPBYPLP-LBTNJELSSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@@H]1C ZINC000736251964 598647722 /nfs/dbraw/zinc/64/77/22/598647722.db2.gz JMDZPCWMPBYPLP-LBTNJELSSA-N -1 3 392.463 3.609 20 0 GHADHM CC(C)c1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735924325 598648646 /nfs/dbraw/zinc/64/86/46/598648646.db2.gz QPXWDABGGQOHSG-AWEZNQCLSA-N -1 3 381.505 3.960 20 0 GHADHM CC(C)c1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924325 598648648 /nfs/dbraw/zinc/64/86/48/598648648.db2.gz QPXWDABGGQOHSG-AWEZNQCLSA-N -1 3 381.505 3.960 20 0 GHADHM O=C(NCc1cccs1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738124310 598649668 /nfs/dbraw/zinc/64/96/68/598649668.db2.gz OIQDBBDNOZFHQO-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM O=C(NCc1cccs1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124310 598649670 /nfs/dbraw/zinc/64/96/70/598649670.db2.gz OIQDBBDNOZFHQO-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274394 598649818 /nfs/dbraw/zinc/64/98/18/598649818.db2.gz UPQQXKYLDZKAIA-KBXCAEBGSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274394 598649821 /nfs/dbraw/zinc/64/98/21/598649821.db2.gz UPQQXKYLDZKAIA-KBXCAEBGSA-N -1 3 392.463 3.705 20 0 GHADHM Cc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737346928 598653262 /nfs/dbraw/zinc/65/32/62/598653262.db2.gz JKZLLICVIGBZNC-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737346928 598653264 /nfs/dbraw/zinc/65/32/64/598653264.db2.gz JKZLLICVIGBZNC-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737320882 598655008 /nfs/dbraw/zinc/65/50/08/598655008.db2.gz QHRGCNHKBIOCGA-AWEZNQCLSA-N -1 3 385.493 3.663 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737320882 598655009 /nfs/dbraw/zinc/65/50/09/598655009.db2.gz QHRGCNHKBIOCGA-AWEZNQCLSA-N -1 3 385.493 3.663 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737822916 598655103 /nfs/dbraw/zinc/65/51/03/598655103.db2.gz CZGKJSKCPWCSDK-KRWDZBQOSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737822916 598655105 /nfs/dbraw/zinc/65/51/05/598655105.db2.gz CZGKJSKCPWCSDK-KRWDZBQOSA-N -1 3 393.447 3.947 20 0 GHADHM COc1ccc(Br)c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737066178 598655202 /nfs/dbraw/zinc/65/52/02/598655202.db2.gz QYKBMAJLPXVKQO-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(Br)c(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737066178 598655204 /nfs/dbraw/zinc/65/52/04/598655204.db2.gz QYKBMAJLPXVKQO-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CCCC1 ZINC000737831586 598655716 /nfs/dbraw/zinc/65/57/16/598655716.db2.gz BFCTVNPHTCZLBU-IBGZPJMESA-N -1 3 383.496 3.597 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCCC1 ZINC000737831586 598655718 /nfs/dbraw/zinc/65/57/18/598655718.db2.gz BFCTVNPHTCZLBU-IBGZPJMESA-N -1 3 383.496 3.597 20 0 GHADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735851494 598655855 /nfs/dbraw/zinc/65/58/55/598655855.db2.gz XOPSVWYRZNORBW-UHFFFAOYSA-N -1 3 397.454 3.997 20 0 GHADHM CC(C)N(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735851494 598655857 /nfs/dbraw/zinc/65/58/57/598655857.db2.gz XOPSVWYRZNORBW-UHFFFAOYSA-N -1 3 397.454 3.997 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737824034 598655894 /nfs/dbraw/zinc/65/58/94/598655894.db2.gz NKIYJFOBZQWDNI-MRXNPFEDSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737824034 598655895 /nfs/dbraw/zinc/65/58/95/598655895.db2.gz NKIYJFOBZQWDNI-MRXNPFEDSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000737942020 598656009 /nfs/dbraw/zinc/65/60/09/598656009.db2.gz HUQKXXRVWYTYHG-IBGZPJMESA-N -1 3 391.500 3.637 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000737942020 598656010 /nfs/dbraw/zinc/65/60/10/598656010.db2.gz HUQKXXRVWYTYHG-IBGZPJMESA-N -1 3 391.500 3.637 20 0 GHADHM C[C@H](CN(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735994766 598657442 /nfs/dbraw/zinc/65/74/42/598657442.db2.gz JMWOFFYFSDNNLZ-QGZVFWFLSA-N -1 3 393.491 3.678 20 0 GHADHM C[C@H](CN(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735994766 598657443 /nfs/dbraw/zinc/65/74/43/598657443.db2.gz JMWOFFYFSDNNLZ-QGZVFWFLSA-N -1 3 393.491 3.678 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748940 598664277 /nfs/dbraw/zinc/66/42/77/598664277.db2.gz ZEFATZAKEHBUMI-FUHWJXTLSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735748940 598664279 /nfs/dbraw/zinc/66/42/79/598664279.db2.gz ZEFATZAKEHBUMI-FUHWJXTLSA-N -1 3 385.512 3.747 20 0 GHADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Br ZINC000737096306 598669512 /nfs/dbraw/zinc/66/95/12/598669512.db2.gz TVPTVNUUEYSDHR-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Br ZINC000737096306 598669514 /nfs/dbraw/zinc/66/95/14/598669514.db2.gz TVPTVNUUEYSDHR-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736685479 598697849 /nfs/dbraw/zinc/69/78/49/598697849.db2.gz LSOGIXRNHYTTBM-CYBMUJFWSA-N -1 3 399.495 3.679 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736685479 598697850 /nfs/dbraw/zinc/69/78/50/598697850.db2.gz LSOGIXRNHYTTBM-CYBMUJFWSA-N -1 3 399.495 3.679 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737318151 598699435 /nfs/dbraw/zinc/69/94/35/598699435.db2.gz SVXGCFZBYCGBOD-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737318151 598699437 /nfs/dbraw/zinc/69/94/37/598699437.db2.gz SVXGCFZBYCGBOD-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM O=C(Cc1coc2cc3c(cc12)CCC3)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737978665 598703392 /nfs/dbraw/zinc/70/33/92/598703392.db2.gz XDZYZMLLZAZLGF-UHFFFAOYSA-N -1 3 392.390 3.527 20 0 GHADHM O=C(Cc1coc2cc3c(cc12)CCC3)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737978665 598703394 /nfs/dbraw/zinc/70/33/94/598703394.db2.gz XDZYZMLLZAZLGF-UHFFFAOYSA-N -1 3 392.390 3.527 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)Cc1cnc(C)nc1 ZINC000737492527 598703716 /nfs/dbraw/zinc/70/37/16/598703716.db2.gz UJNPSXDXIUUJBN-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)Cc1cnc(C)nc1 ZINC000737492527 598703717 /nfs/dbraw/zinc/70/37/17/598703717.db2.gz UJNPSXDXIUUJBN-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cnc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)cn1 ZINC000737444814 598703924 /nfs/dbraw/zinc/70/39/24/598703924.db2.gz AYJPBIVQBJLSDV-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cnc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)cn1 ZINC000737444814 598703925 /nfs/dbraw/zinc/70/39/25/598703925.db2.gz AYJPBIVQBJLSDV-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cs2)cc1 ZINC000737288234 598706312 /nfs/dbraw/zinc/70/63/12/598706312.db2.gz MXMYQWXPNPVJNE-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cs2)cc1 ZINC000737288234 598706313 /nfs/dbraw/zinc/70/63/13/598706313.db2.gz MXMYQWXPNPVJNE-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000735874084 598731842 /nfs/dbraw/zinc/73/18/42/598731842.db2.gz HPVCQJRIBSDKEI-IBGZPJMESA-N -1 3 390.491 3.517 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000735874084 598731843 /nfs/dbraw/zinc/73/18/43/598731843.db2.gz HPVCQJRIBSDKEI-IBGZPJMESA-N -1 3 390.491 3.517 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736252846 598734417 /nfs/dbraw/zinc/73/44/17/598734417.db2.gz RWDHSITUSOUTQI-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736252846 598734418 /nfs/dbraw/zinc/73/44/18/598734418.db2.gz RWDHSITUSOUTQI-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)ccc1F ZINC000737238964 598735015 /nfs/dbraw/zinc/73/50/15/598735015.db2.gz VTKPBVXUNZLOQH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)ccc1F ZINC000737238964 598735016 /nfs/dbraw/zinc/73/50/16/598735016.db2.gz VTKPBVXUNZLOQH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000735904386 598741322 /nfs/dbraw/zinc/74/13/22/598741322.db2.gz NTURVSRRYIMDIT-HNNXBMFYSA-N -1 3 391.475 3.788 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000735904386 598741324 /nfs/dbraw/zinc/74/13/24/598741324.db2.gz NTURVSRRYIMDIT-HNNXBMFYSA-N -1 3 391.475 3.788 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736667918 598745707 /nfs/dbraw/zinc/74/57/07/598745707.db2.gz UMYUCSXJTSKQHY-AWEZNQCLSA-N -1 3 381.505 3.789 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736667918 598745708 /nfs/dbraw/zinc/74/57/08/598745708.db2.gz UMYUCSXJTSKQHY-AWEZNQCLSA-N -1 3 381.505 3.789 20 0 GHADHM O=C(CCC1CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737823869 598747167 /nfs/dbraw/zinc/74/71/67/598747167.db2.gz LSCFMEWWYDRVLG-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CCOC(=O)c1c(C(C)C)csc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000736603368 598753182 /nfs/dbraw/zinc/75/31/82/598753182.db2.gz OKWVPONMFMMGOC-UHFFFAOYSA-N -1 3 391.478 3.542 20 0 GHADHM CCOC(=O)c1c(C(C)C)csc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000736603368 598753183 /nfs/dbraw/zinc/75/31/83/598753183.db2.gz OKWVPONMFMMGOC-UHFFFAOYSA-N -1 3 391.478 3.542 20 0 GHADHM O=C(C=CC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737799979 598753838 /nfs/dbraw/zinc/75/38/38/598753838.db2.gz YCTXORYTEDXZNO-BQYQJAHWSA-N -1 3 387.509 3.509 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737799979 598753840 /nfs/dbraw/zinc/75/38/40/598753840.db2.gz YCTXORYTEDXZNO-BQYQJAHWSA-N -1 3 387.509 3.509 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccnc(C2CC2)n1 ZINC000738171135 598754259 /nfs/dbraw/zinc/75/42/59/598754259.db2.gz BYMBHUZJYZRTSN-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccnc(C2CC2)n1 ZINC000738171135 598754260 /nfs/dbraw/zinc/75/42/60/598754260.db2.gz BYMBHUZJYZRTSN-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCS1 ZINC000736293250 598754666 /nfs/dbraw/zinc/75/46/66/598754666.db2.gz SLQXCZNJUSJLKB-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCS1 ZINC000736293250 598754667 /nfs/dbraw/zinc/75/46/67/598754667.db2.gz SLQXCZNJUSJLKB-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737421357 598754930 /nfs/dbraw/zinc/75/49/30/598754930.db2.gz LUOBOPOXPGJSRH-LJQANCHMSA-N -1 3 381.505 3.781 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737421357 598754931 /nfs/dbraw/zinc/75/49/31/598754931.db2.gz LUOBOPOXPGJSRH-LJQANCHMSA-N -1 3 381.505 3.781 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000735903487 598765171 /nfs/dbraw/zinc/76/51/71/598765171.db2.gz GYOQYMQXPDIFNH-CQSZACIVSA-N -1 3 393.447 3.502 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110316 598781447 /nfs/dbraw/zinc/78/14/47/598781447.db2.gz IGUVXMFHCFGYSW-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110316 598781449 /nfs/dbraw/zinc/78/14/49/598781449.db2.gz IGUVXMFHCFGYSW-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000735850747 598781468 /nfs/dbraw/zinc/78/14/68/598781468.db2.gz GPUGLUKROMSDNF-UHFFFAOYSA-N -1 3 389.463 3.799 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000735850747 598781469 /nfs/dbraw/zinc/78/14/69/598781469.db2.gz GPUGLUKROMSDNF-UHFFFAOYSA-N -1 3 389.463 3.799 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(C(F)F)c1 ZINC000737027026 598790616 /nfs/dbraw/zinc/79/06/16/598790616.db2.gz XOXMMZKGARIDLR-UHFFFAOYSA-N -1 3 380.738 3.686 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(C(F)F)c1 ZINC000737027026 598790617 /nfs/dbraw/zinc/79/06/17/598790617.db2.gz XOXMMZKGARIDLR-UHFFFAOYSA-N -1 3 380.738 3.686 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000736504570 598792826 /nfs/dbraw/zinc/79/28/26/598792826.db2.gz BSCHFBOXHGLBGP-OAQYLSRUSA-N -1 3 398.470 3.822 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000736504570 598792828 /nfs/dbraw/zinc/79/28/28/598792828.db2.gz BSCHFBOXHGLBGP-OAQYLSRUSA-N -1 3 398.470 3.822 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000736814696 598817690 /nfs/dbraw/zinc/81/76/90/598817690.db2.gz SFURWDSJANKMFD-UHFFFAOYSA-N -1 3 397.482 3.831 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000736814696 598817692 /nfs/dbraw/zinc/81/76/92/598817692.db2.gz SFURWDSJANKMFD-UHFFFAOYSA-N -1 3 397.482 3.831 20 0 GHADHM COCc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737016807 598821611 /nfs/dbraw/zinc/82/16/11/598821611.db2.gz HEIWTWWHFSZHQZ-UHFFFAOYSA-N -1 3 391.387 3.651 20 0 GHADHM COCc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737016807 598821613 /nfs/dbraw/zinc/82/16/13/598821613.db2.gz HEIWTWWHFSZHQZ-UHFFFAOYSA-N -1 3 391.387 3.651 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735733522 598822364 /nfs/dbraw/zinc/82/23/64/598822364.db2.gz BDSJCTNHGZQWDU-LJQANCHMSA-N -1 3 399.882 3.755 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1nc(CCc2ccccc2)no1 ZINC000822744237 599299947 /nfs/dbraw/zinc/29/99/47/599299947.db2.gz OZGKBHLEXUWGGP-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1nc(CCc2ccccc2)no1 ZINC000822744237 599299950 /nfs/dbraw/zinc/29/99/50/599299950.db2.gz OZGKBHLEXUWGGP-UHFFFAOYSA-N -1 3 396.451 3.607 20 0 GHADHM CN(C(=O)CSc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739358 599306873 /nfs/dbraw/zinc/30/68/73/599306873.db2.gz MBKOPJKXDZHFFK-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CN(C(=O)CSc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739358 599306875 /nfs/dbraw/zinc/30/68/75/599306875.db2.gz MBKOPJKXDZHFFK-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502470 599308912 /nfs/dbraw/zinc/30/89/12/599308912.db2.gz NJQYLOLKHZHTNB-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502470 599308917 /nfs/dbraw/zinc/30/89/17/599308917.db2.gz NJQYLOLKHZHTNB-CYBMUJFWSA-N -1 3 385.855 3.649 20 0 GHADHM Clc1ccc2c(c1)ncnc2NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822582866 599311774 /nfs/dbraw/zinc/31/17/74/599311774.db2.gz ZGORWULIVZMXHA-UHFFFAOYSA-N -1 3 397.895 3.809 20 0 GHADHM Clc1ccc2c(c1)ncnc2NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822582866 599311775 /nfs/dbraw/zinc/31/17/75/599311775.db2.gz ZGORWULIVZMXHA-UHFFFAOYSA-N -1 3 397.895 3.809 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820690648 599320208 /nfs/dbraw/zinc/32/02/08/599320208.db2.gz PPWDHVIVSPGIID-RHSMWYFYSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820690648 599320211 /nfs/dbraw/zinc/32/02/11/599320211.db2.gz PPWDHVIVSPGIID-RHSMWYFYSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140339 599324860 /nfs/dbraw/zinc/32/48/60/599324860.db2.gz UGPFIZLDYGNXQH-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140339 599324862 /nfs/dbraw/zinc/32/48/62/599324862.db2.gz UGPFIZLDYGNXQH-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821109226 599341489 /nfs/dbraw/zinc/34/14/89/599341489.db2.gz DDCUENWWOREMSS-UHFFFAOYSA-N -1 3 381.505 3.706 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821109226 599341492 /nfs/dbraw/zinc/34/14/92/599341492.db2.gz DDCUENWWOREMSS-UHFFFAOYSA-N -1 3 381.505 3.706 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821430701 599349841 /nfs/dbraw/zinc/34/98/41/599349841.db2.gz DSJNRPDNRYDCLS-INIZCTEOSA-N -1 3 397.504 3.625 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821430701 599349843 /nfs/dbraw/zinc/34/98/43/599349843.db2.gz DSJNRPDNRYDCLS-INIZCTEOSA-N -1 3 397.504 3.625 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000738145468 599352970 /nfs/dbraw/zinc/35/29/70/599352970.db2.gz QZRPBSWRLIALKC-UHFFFAOYSA-N -1 3 398.854 3.670 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000738145468 599352971 /nfs/dbraw/zinc/35/29/71/599352971.db2.gz QZRPBSWRLIALKC-UHFFFAOYSA-N -1 3 398.854 3.670 20 0 GHADHM Cc1cc(Nc2ccc3c(c2)ncn3C)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822210708 599357754 /nfs/dbraw/zinc/35/77/54/599357754.db2.gz OBJUCRZACBVJSH-UHFFFAOYSA-N -1 3 395.430 3.606 20 0 GHADHM Cc1cc(Nc2ccc3c(c2)ncn3C)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822210708 599357758 /nfs/dbraw/zinc/35/77/58/599357758.db2.gz OBJUCRZACBVJSH-UHFFFAOYSA-N -1 3 395.430 3.606 20 0 GHADHM FC(F)(F)c1cc(Oc2ccc(-c3nnn[n-]3)cc2)nc(-c2ccncc2)n1 ZINC000737633705 599362578 /nfs/dbraw/zinc/36/25/78/599362578.db2.gz VAWMUVZXGLRWAX-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM FC(F)(F)c1cc(Oc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccncc2)n1 ZINC000737633705 599362580 /nfs/dbraw/zinc/36/25/80/599362580.db2.gz VAWMUVZXGLRWAX-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315261 599374136 /nfs/dbraw/zinc/37/41/36/599374136.db2.gz RIALDABZWFPUNJ-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735986979 599379478 /nfs/dbraw/zinc/37/94/78/599379478.db2.gz VHDUXOJFAQXDNO-CQSZACIVSA-N -1 3 397.479 3.983 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415005 607372423 /nfs/dbraw/zinc/37/24/23/607372423.db2.gz ONMTXRKMMKCGSF-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415005 607372425 /nfs/dbraw/zinc/37/24/25/607372425.db2.gz ONMTXRKMMKCGSF-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM FC(F)(F)Oc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737625534 599400785 /nfs/dbraw/zinc/40/07/85/599400785.db2.gz BNPKXBLSHXTEMD-UHFFFAOYSA-N -1 3 386.337 3.926 20 0 GHADHM FC(F)(F)Oc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737625534 599400788 /nfs/dbraw/zinc/40/07/88/599400788.db2.gz BNPKXBLSHXTEMD-UHFFFAOYSA-N -1 3 386.337 3.926 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000738301523 599417618 /nfs/dbraw/zinc/41/76/18/599417618.db2.gz BKPQOAZNXKIORL-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000738301523 599417621 /nfs/dbraw/zinc/41/76/21/599417621.db2.gz BKPQOAZNXKIORL-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM COc1ccccc1N1CCC(Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737151181 599419559 /nfs/dbraw/zinc/41/95/59/599419559.db2.gz DBFARHNMARSCGS-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM COc1ccccc1N1CCC(Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000737151181 599419562 /nfs/dbraw/zinc/41/95/62/599419562.db2.gz DBFARHNMARSCGS-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2cccc(C)c2)o1 ZINC000821751723 607375976 /nfs/dbraw/zinc/37/59/76/607375976.db2.gz ARLWPBBEXMKOEH-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2cccc(C)c2)o1 ZINC000821751723 607375978 /nfs/dbraw/zinc/37/59/78/607375978.db2.gz ARLWPBBEXMKOEH-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM C[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000824053398 607377461 /nfs/dbraw/zinc/37/74/61/607377461.db2.gz XYWXDCBLFDLMRE-CQSZACIVSA-N -1 3 386.411 3.550 20 0 GHADHM C[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000824053398 607377463 /nfs/dbraw/zinc/37/74/63/607377463.db2.gz XYWXDCBLFDLMRE-CQSZACIVSA-N -1 3 386.411 3.550 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821020350 599434311 /nfs/dbraw/zinc/43/43/11/599434311.db2.gz BAYXVUSUAMLKAL-KXBFYZLASA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821020350 599434313 /nfs/dbraw/zinc/43/43/13/599434313.db2.gz BAYXVUSUAMLKAL-KXBFYZLASA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n[nH]1 ZINC000821016042 599446098 /nfs/dbraw/zinc/44/60/98/599446098.db2.gz UYUILPDWDNMRBI-UGSOOPFHSA-N -1 3 397.483 3.536 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n[nH]1 ZINC000821016042 599446101 /nfs/dbraw/zinc/44/61/01/599446101.db2.gz UYUILPDWDNMRBI-UGSOOPFHSA-N -1 3 397.483 3.536 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000821698301 599456009 /nfs/dbraw/zinc/45/60/09/599456009.db2.gz DUBRAZAKAWFSNX-UHFFFAOYSA-N -1 3 382.226 3.611 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000822761276 599456835 /nfs/dbraw/zinc/45/68/35/599456835.db2.gz GLTNJJLQEMXVPI-UHFFFAOYSA-N -1 3 385.349 3.834 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000819908258 599462346 /nfs/dbraw/zinc/46/23/46/599462346.db2.gz YJNGUODXRGLFRP-SFHVURJKSA-N -1 3 396.470 3.983 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000819908258 599462349 /nfs/dbraw/zinc/46/23/49/599462349.db2.gz YJNGUODXRGLFRP-SFHVURJKSA-N -1 3 396.470 3.983 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738409021 599465026 /nfs/dbraw/zinc/46/50/26/599465026.db2.gz OEIKRBGPBOYIIX-KRWDZBQOSA-N -1 3 398.923 3.828 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738409021 599465029 /nfs/dbraw/zinc/46/50/29/599465029.db2.gz OEIKRBGPBOYIIX-KRWDZBQOSA-N -1 3 398.923 3.828 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736236661 599472598 /nfs/dbraw/zinc/47/25/98/599472598.db2.gz SQSNBRANDCEFGB-ZYHUDNBSSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736236661 599472601 /nfs/dbraw/zinc/47/26/01/599472601.db2.gz SQSNBRANDCEFGB-ZYHUDNBSSA-N -1 3 392.360 3.802 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821222771 599475014 /nfs/dbraw/zinc/47/50/14/599475014.db2.gz ZBADADBTEPICPL-NSHDSACASA-N -1 3 390.900 3.874 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821222771 599475017 /nfs/dbraw/zinc/47/50/17/599475017.db2.gz ZBADADBTEPICPL-NSHDSACASA-N -1 3 390.900 3.874 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339256 599485116 /nfs/dbraw/zinc/48/51/16/599485116.db2.gz ANTRGMZSIJFOBS-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339256 599485119 /nfs/dbraw/zinc/48/51/19/599485119.db2.gz ANTRGMZSIJFOBS-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110641 599492201 /nfs/dbraw/zinc/49/22/01/599492201.db2.gz IUHGDQQTUPQMNR-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110641 599492203 /nfs/dbraw/zinc/49/22/03/599492203.db2.gz IUHGDQQTUPQMNR-KBPBESRZSA-N -1 3 398.898 3.854 20 0 GHADHM COc1cccc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000821864388 599502874 /nfs/dbraw/zinc/50/28/74/599502874.db2.gz YLVQFJQDMIFQPP-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM COc1cccc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000821864388 599502877 /nfs/dbraw/zinc/50/28/77/599502877.db2.gz YLVQFJQDMIFQPP-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328105 599504369 /nfs/dbraw/zinc/50/43/69/599504369.db2.gz MIFVOYFAVXIDFS-INIZCTEOSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328105 599504371 /nfs/dbraw/zinc/50/43/71/599504371.db2.gz MIFVOYFAVXIDFS-INIZCTEOSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820396605 599512669 /nfs/dbraw/zinc/51/26/69/599512669.db2.gz HDCUXWIURNECSZ-ZDUSSCGKSA-N -1 3 386.459 3.718 20 0 GHADHM C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820396605 599512670 /nfs/dbraw/zinc/51/26/70/599512670.db2.gz HDCUXWIURNECSZ-ZDUSSCGKSA-N -1 3 386.459 3.718 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820235945 607382011 /nfs/dbraw/zinc/38/20/11/607382011.db2.gz VNKAIZUOJZXFPD-MEDUHNTESA-N -1 3 377.370 3.810 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1COc2ccccc2C1 ZINC000737627294 599519066 /nfs/dbraw/zinc/51/90/66/599519066.db2.gz OUOLZHYGIPJZQB-LLVKDONJSA-N -1 3 375.354 3.549 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392566 599519227 /nfs/dbraw/zinc/51/92/27/599519227.db2.gz WAPHGVAQITZTJN-LBPRGKRZSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392566 599519230 /nfs/dbraw/zinc/51/92/30/599519230.db2.gz WAPHGVAQITZTJN-LBPRGKRZSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736194123 599521545 /nfs/dbraw/zinc/52/15/45/599521545.db2.gz ZQAUDKCPDKJTJO-GFCCVEGCSA-N -1 3 383.477 3.751 20 0 GHADHM C[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736194123 599521547 /nfs/dbraw/zinc/52/15/47/599521547.db2.gz ZQAUDKCPDKJTJO-GFCCVEGCSA-N -1 3 383.477 3.751 20 0 GHADHM COc1ccc2c(c1)CCCN(c1ccc(-c3nn[n-]n3)cc1C(F)(F)F)C2 ZINC000737119657 599525481 /nfs/dbraw/zinc/52/54/81/599525481.db2.gz REXXHSPTUSNLLQ-UHFFFAOYSA-N -1 3 389.381 3.847 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234003 599527233 /nfs/dbraw/zinc/52/72/33/599527233.db2.gz ZMWSMORHIJFVDJ-YSSFQJQWSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234003 599527235 /nfs/dbraw/zinc/52/72/35/599527235.db2.gz ZMWSMORHIJFVDJ-YSSFQJQWSA-N -1 3 391.475 3.520 20 0 GHADHM C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327102 599531518 /nfs/dbraw/zinc/53/15/18/599531518.db2.gz FGHPDIADQAJYCE-INIZCTEOSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327102 599531519 /nfs/dbraw/zinc/53/15/19/599531519.db2.gz FGHPDIADQAJYCE-INIZCTEOSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820555090 599534138 /nfs/dbraw/zinc/53/41/38/599534138.db2.gz FXZHUWISIRVBJD-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820555090 599534141 /nfs/dbraw/zinc/53/41/41/599534141.db2.gz FXZHUWISIRVBJD-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736058752 599539555 /nfs/dbraw/zinc/53/95/55/599539555.db2.gz OWHVBMQPHJBCOR-VIFPVBQESA-N -1 3 381.383 3.764 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736058752 599539556 /nfs/dbraw/zinc/53/95/56/599539556.db2.gz OWHVBMQPHJBCOR-VIFPVBQESA-N -1 3 381.383 3.764 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccccc1F ZINC000735828863 599541288 /nfs/dbraw/zinc/54/12/88/599541288.db2.gz ADMDVSFWXBZHRP-MRXNPFEDSA-N -1 3 395.482 3.869 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccccc1F ZINC000735828863 599541289 /nfs/dbraw/zinc/54/12/89/599541289.db2.gz ADMDVSFWXBZHRP-MRXNPFEDSA-N -1 3 395.482 3.869 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC000823689339 599551419 /nfs/dbraw/zinc/55/14/19/599551419.db2.gz DZQRDOVJYXRQTJ-ZDUSSCGKSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC000823689339 599551420 /nfs/dbraw/zinc/55/14/20/599551420.db2.gz DZQRDOVJYXRQTJ-ZDUSSCGKSA-N -1 3 384.654 3.972 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736791566 599567473 /nfs/dbraw/zinc/56/74/73/599567473.db2.gz ALPGLIVZPHFDMF-UHFFFAOYSA-N -1 3 376.464 3.873 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000738285347 599574750 /nfs/dbraw/zinc/57/47/50/599574750.db2.gz FSANGBONOTVSLF-AEFFLSMTSA-N -1 3 391.500 3.784 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000738285347 599574753 /nfs/dbraw/zinc/57/47/53/599574753.db2.gz FSANGBONOTVSLF-AEFFLSMTSA-N -1 3 391.500 3.784 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)OC(C)(C)C ZINC000736140633 599598151 /nfs/dbraw/zinc/59/81/51/599598151.db2.gz YEEDDFOEIRONAL-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM C[C@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)OC(C)(C)C ZINC000736140633 599598153 /nfs/dbraw/zinc/59/81/53/599598153.db2.gz YEEDDFOEIRONAL-ZDUSSCGKSA-N -1 3 381.436 3.801 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000736481137 599602618 /nfs/dbraw/zinc/60/26/18/599602618.db2.gz UGMOHUYHCZKZIY-CQSZACIVSA-N -1 3 398.536 3.789 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000736481137 599602619 /nfs/dbraw/zinc/60/26/19/599602619.db2.gz UGMOHUYHCZKZIY-CQSZACIVSA-N -1 3 398.536 3.789 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737290116 599611036 /nfs/dbraw/zinc/61/10/36/599611036.db2.gz BPODDNQWNJIGQG-NVXWUHKLSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737290116 599611038 /nfs/dbraw/zinc/61/10/38/599611038.db2.gz BPODDNQWNJIGQG-NVXWUHKLSA-N -1 3 376.464 3.893 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000736478771 599614860 /nfs/dbraw/zinc/61/48/60/599614860.db2.gz BYLKXQCSICJEOP-QGZVFWFLSA-N -1 3 392.507 3.900 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000736478771 599614862 /nfs/dbraw/zinc/61/48/62/599614862.db2.gz BYLKXQCSICJEOP-QGZVFWFLSA-N -1 3 392.507 3.900 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000826251908 607386313 /nfs/dbraw/zinc/38/63/13/607386313.db2.gz GEBCCVBDMUJTFM-UHFFFAOYSA-N -1 3 391.214 3.522 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000826251908 607386315 /nfs/dbraw/zinc/38/63/15/607386315.db2.gz GEBCCVBDMUJTFM-UHFFFAOYSA-N -1 3 391.214 3.522 20 0 GHADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819882923 599621289 /nfs/dbraw/zinc/62/12/89/599621289.db2.gz COOBPFXLAJOIRQ-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819882923 599621290 /nfs/dbraw/zinc/62/12/90/599621290.db2.gz COOBPFXLAJOIRQ-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820937659 599628434 /nfs/dbraw/zinc/62/84/34/599628434.db2.gz BLGDALASZUIQCH-HONMWMINSA-N -1 3 377.514 3.857 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820937659 599628435 /nfs/dbraw/zinc/62/84/35/599628435.db2.gz BLGDALASZUIQCH-HONMWMINSA-N -1 3 377.514 3.857 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821388903 599629401 /nfs/dbraw/zinc/62/94/01/599629401.db2.gz ABXVHPWLRBSZHS-CYBMUJFWSA-N -1 3 383.427 3.628 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821388903 599629402 /nfs/dbraw/zinc/62/94/02/599629402.db2.gz ABXVHPWLRBSZHS-CYBMUJFWSA-N -1 3 383.427 3.628 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000821100111 599629413 /nfs/dbraw/zinc/62/94/13/599629413.db2.gz UDRFYTNOTBCYFI-AHRSYUTCSA-N -1 3 399.539 3.979 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000821100111 599629414 /nfs/dbraw/zinc/62/94/14/599629414.db2.gz UDRFYTNOTBCYFI-AHRSYUTCSA-N -1 3 399.539 3.979 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1CCCS1 ZINC000823383373 599630875 /nfs/dbraw/zinc/63/08/75/599630875.db2.gz QIGPUGIKJGPARH-CYBMUJFWSA-N -1 3 383.502 3.528 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1CCCS1 ZINC000823383373 599630876 /nfs/dbraw/zinc/63/08/76/599630876.db2.gz QIGPUGIKJGPARH-CYBMUJFWSA-N -1 3 383.502 3.528 20 0 GHADHM CN(CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000821594114 599642951 /nfs/dbraw/zinc/64/29/51/599642951.db2.gz ZFWWKKPVVUTYGO-UHFFFAOYSA-N -1 3 390.472 3.670 20 0 GHADHM CN(CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(-c2ccccc2)cc1 ZINC000821594114 599642952 /nfs/dbraw/zinc/64/29/52/599642952.db2.gz ZFWWKKPVVUTYGO-UHFFFAOYSA-N -1 3 390.472 3.670 20 0 GHADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148338 599648729 /nfs/dbraw/zinc/64/87/29/599648729.db2.gz NVNZXONVEDDDKU-DLBZAZTESA-N -1 3 393.491 3.881 20 0 GHADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148338 599648730 /nfs/dbraw/zinc/64/87/30/599648730.db2.gz NVNZXONVEDDDKU-DLBZAZTESA-N -1 3 393.491 3.881 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081727 599649223 /nfs/dbraw/zinc/64/92/23/599649223.db2.gz SLOWZRQPYVEVFV-KRWDZBQOSA-N -1 3 393.491 3.961 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081727 599649224 /nfs/dbraw/zinc/64/92/24/599649224.db2.gz SLOWZRQPYVEVFV-KRWDZBQOSA-N -1 3 393.491 3.961 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823396206 599650895 /nfs/dbraw/zinc/65/08/95/599650895.db2.gz FWESYYTUECUYBO-UHFFFAOYSA-N -1 3 380.301 3.591 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823396206 599650896 /nfs/dbraw/zinc/65/08/96/599650896.db2.gz FWESYYTUECUYBO-UHFFFAOYSA-N -1 3 380.301 3.591 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390542 599651916 /nfs/dbraw/zinc/65/19/16/599651916.db2.gz IGXIJYASEPFDDS-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390542 599651917 /nfs/dbraw/zinc/65/19/17/599651917.db2.gz IGXIJYASEPFDDS-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CC(C)CCc1nc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000820081542 599651919 /nfs/dbraw/zinc/65/19/19/599651919.db2.gz KPIYJOWBZDOLGM-NTMALXAHSA-N -1 3 383.477 3.668 20 0 GHADHM CC(C)CCc1nc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000820081542 599651920 /nfs/dbraw/zinc/65/19/20/599651920.db2.gz KPIYJOWBZDOLGM-NTMALXAHSA-N -1 3 383.477 3.668 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(Cl)ccc1Cl ZINC000820549463 599654253 /nfs/dbraw/zinc/65/42/53/599654253.db2.gz MWEFVGVBUUMBAQ-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(Cl)ccc1Cl ZINC000820549463 599654254 /nfs/dbraw/zinc/65/42/54/599654254.db2.gz MWEFVGVBUUMBAQ-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913843 599667913 /nfs/dbraw/zinc/66/79/13/599667913.db2.gz KONRICDNMFWINZ-HXUWFJFHSA-N -1 3 392.507 3.728 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913843 599667914 /nfs/dbraw/zinc/66/79/14/599667914.db2.gz KONRICDNMFWINZ-HXUWFJFHSA-N -1 3 392.507 3.728 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482841 599667925 /nfs/dbraw/zinc/66/79/25/599667925.db2.gz VPOHLRZNNCZLNU-RDTXWAMCSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482841 599667926 /nfs/dbraw/zinc/66/79/26/599667926.db2.gz VPOHLRZNNCZLNU-RDTXWAMCSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821480450 599668179 /nfs/dbraw/zinc/66/81/79/599668179.db2.gz CHHRIPHRTDSFMV-KDOFPFPSSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821480450 599668180 /nfs/dbraw/zinc/66/81/80/599668180.db2.gz CHHRIPHRTDSFMV-KDOFPFPSSA-N -1 3 394.479 3.705 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820358764 599669945 /nfs/dbraw/zinc/66/99/45/599669945.db2.gz OVKBNLFGSDSVRJ-IAQYHMDHSA-N -1 3 390.369 3.531 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820358764 599669946 /nfs/dbraw/zinc/66/99/46/599669946.db2.gz OVKBNLFGSDSVRJ-IAQYHMDHSA-N -1 3 390.369 3.531 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340421 599680052 /nfs/dbraw/zinc/68/00/52/599680052.db2.gz KGTCFQLSKLIVPK-AWEZNQCLSA-N -1 3 380.452 3.675 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340421 599680053 /nfs/dbraw/zinc/68/00/53/599680053.db2.gz KGTCFQLSKLIVPK-AWEZNQCLSA-N -1 3 380.452 3.675 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc2cnccc21 ZINC000823387712 599690422 /nfs/dbraw/zinc/69/04/22/599690422.db2.gz VKQDESBNTHGLLH-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc2cnccc21 ZINC000823387712 599690423 /nfs/dbraw/zinc/69/04/23/599690423.db2.gz VKQDESBNTHGLLH-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM Cc1oc(-c2cccs2)nc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252834 607390235 /nfs/dbraw/zinc/39/02/35/607390235.db2.gz UDELQXWDIHFAOK-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1oc(-c2cccs2)nc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252834 607390237 /nfs/dbraw/zinc/39/02/37/607390237.db2.gz UDELQXWDIHFAOK-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM O=C([O-])Nc1ccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000740025327 599793706 /nfs/dbraw/zinc/79/37/06/599793706.db2.gz QLSASPCIJPCVJA-FQEVSTJZSA-N -1 3 385.439 3.663 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000739758465 599829067 /nfs/dbraw/zinc/82/90/67/599829067.db2.gz FHIHMIPCSVZOAW-KRWDZBQOSA-N -1 3 387.505 3.724 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(C(F)(F)F)c1F ZINC000826254418 607406839 /nfs/dbraw/zinc/40/68/39/607406839.db2.gz KABREXWORHSXCW-UHFFFAOYSA-N -1 3 380.301 3.690 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(C(F)(F)F)c1F ZINC000826254418 607406841 /nfs/dbraw/zinc/40/68/41/607406841.db2.gz KABREXWORHSXCW-UHFFFAOYSA-N -1 3 380.301 3.690 20 0 GHADHM COc1cccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)N2CCCC2)c1 ZINC000738090054 600017791 /nfs/dbraw/zinc/01/77/91/600017791.db2.gz FUOHIUBBWAWEHH-FQEVSTJZSA-N -1 3 397.475 3.660 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000826428199 607415383 /nfs/dbraw/zinc/41/53/83/607415383.db2.gz SKKLEPNUHNIZED-UHFFFAOYSA-N -1 3 392.221 3.732 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000826428199 607415384 /nfs/dbraw/zinc/41/53/84/607415384.db2.gz SKKLEPNUHNIZED-UHFFFAOYSA-N -1 3 392.221 3.732 20 0 GHADHM O=C([O-])c1cccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000263418002 600169749 /nfs/dbraw/zinc/16/97/49/600169749.db2.gz KLPBWEBBEBIFSY-UHFFFAOYSA-N -1 3 386.879 3.776 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000824737127 607421647 /nfs/dbraw/zinc/42/16/47/607421647.db2.gz BZMJMKPMCZWMGT-OAHLLOKOSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000824737127 607421649 /nfs/dbraw/zinc/42/16/49/607421649.db2.gz BZMJMKPMCZWMGT-OAHLLOKOSA-N -1 3 391.475 3.563 20 0 GHADHM O=C([O-])c1cc(Cl)cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000739404923 600284216 /nfs/dbraw/zinc/28/42/16/600284216.db2.gz PNBKNZREXKHSLO-SFHVURJKSA-N -1 3 387.867 3.997 20 0 GHADHM CCN(C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)[C@H](C)c1cccnc1 ZINC000821154379 607433453 /nfs/dbraw/zinc/43/34/53/607433453.db2.gz NASIUVGIDWSGLP-CQSZACIVSA-N -1 3 395.467 3.664 20 0 GHADHM CCN(C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)[C@H](C)c1cccnc1 ZINC000821154379 607433454 /nfs/dbraw/zinc/43/34/54/607433454.db2.gz NASIUVGIDWSGLP-CQSZACIVSA-N -1 3 395.467 3.664 20 0 GHADHM CN(C(=O)COC(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817383 607433534 /nfs/dbraw/zinc/43/35/34/607433534.db2.gz IPOKUAVMPQCHDN-UHFFFAOYSA-N -1 3 399.454 3.636 20 0 GHADHM CN(C(=O)COC(c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817383 607433536 /nfs/dbraw/zinc/43/35/36/607433536.db2.gz IPOKUAVMPQCHDN-UHFFFAOYSA-N -1 3 399.454 3.636 20 0 GHADHM O=C([O-])c1cc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)ccc1F ZINC000739408502 600391566 /nfs/dbraw/zinc/39/15/66/600391566.db2.gz ZHIAOBHKBXICJC-QGZVFWFLSA-N -1 3 385.439 3.700 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000826322654 607440648 /nfs/dbraw/zinc/44/06/48/607440648.db2.gz VRAJJXUZTAAPAN-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000826322654 607440649 /nfs/dbraw/zinc/44/06/49/607440649.db2.gz VRAJJXUZTAAPAN-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825281907 607441780 /nfs/dbraw/zinc/44/17/80/607441780.db2.gz NCMLFDWWZXWDDB-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825281907 607441782 /nfs/dbraw/zinc/44/17/82/607441782.db2.gz NCMLFDWWZXWDDB-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM CN(C(=O)CCOc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817310 607442313 /nfs/dbraw/zinc/44/23/13/607442313.db2.gz GSDCKXGDUOWLLG-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CN(C(=O)CCOc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817310 607442314 /nfs/dbraw/zinc/44/23/14/607442314.db2.gz GSDCKXGDUOWLLG-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1OC ZINC000426805584 600421978 /nfs/dbraw/zinc/42/19/78/600421978.db2.gz CTZDZVBFHFUUGI-QGZVFWFLSA-N -1 3 394.265 3.772 20 0 GHADHM CC(C)C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824237021 607446180 /nfs/dbraw/zinc/44/61/80/607446180.db2.gz QJSPYGUGUFGXRN-IBGZPJMESA-N -1 3 390.491 3.942 20 0 GHADHM CC(C)C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824237021 607446181 /nfs/dbraw/zinc/44/61/81/607446181.db2.gz QJSPYGUGUFGXRN-IBGZPJMESA-N -1 3 390.491 3.942 20 0 GHADHM Cc1oc(NC(=O)CN(Cc2ccccc2)CC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000822548797 607450162 /nfs/dbraw/zinc/45/01/62/607450162.db2.gz ODEVARCJQMJEEN-UHFFFAOYSA-N -1 3 396.495 3.563 20 0 GHADHM O=C([O-])c1cccc(-c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 ZINC000833328053 600695840 /nfs/dbraw/zinc/69/58/40/600695840.db2.gz SIAREXZSCINFOX-QGZVFWFLSA-N -1 3 381.407 3.954 20 0 GHADHM CCN(CC1CCN(Cc2cc(C(=O)[O-])oc2C)CC1)C(=O)OC(C)(C)C ZINC000829687602 600800752 /nfs/dbraw/zinc/80/07/52/600800752.db2.gz MRCCFWHWAHYHRM-UHFFFAOYSA-N -1 3 380.485 3.755 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)ccn1 ZINC000820055280 607480099 /nfs/dbraw/zinc/48/00/99/607480099.db2.gz HKGZGMFJUHKPBW-CQSZACIVSA-N -1 3 384.459 3.504 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc2oc(C(F)(F)F)nc2c1 ZINC000822743703 607489015 /nfs/dbraw/zinc/48/90/15/607489015.db2.gz DWJKLEWNTAQBMS-UHFFFAOYSA-N -1 3 378.289 3.778 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc2oc(C(F)(F)F)nc2c1 ZINC000822743703 607489017 /nfs/dbraw/zinc/48/90/17/607489017.db2.gz DWJKLEWNTAQBMS-UHFFFAOYSA-N -1 3 378.289 3.778 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819951201 607489528 /nfs/dbraw/zinc/48/95/28/607489528.db2.gz OTMLUDQLIKMRPI-MHZLTWQESA-N -1 3 387.484 3.665 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819951201 607489530 /nfs/dbraw/zinc/48/95/30/607489530.db2.gz OTMLUDQLIKMRPI-MHZLTWQESA-N -1 3 387.484 3.665 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000820629644 607500312 /nfs/dbraw/zinc/50/03/12/607500312.db2.gz ZLUQCQSZCQBJSD-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM CC1(OCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000820629644 607500313 /nfs/dbraw/zinc/50/03/13/607500313.db2.gz ZLUQCQSZCQBJSD-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825021739 607513983 /nfs/dbraw/zinc/51/39/83/607513983.db2.gz UBTZYVXLONOEDD-JTQLQIEISA-N -1 3 375.263 3.688 20 0 GHADHM CCN(C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000829597349 601652634 /nfs/dbraw/zinc/65/26/34/601652634.db2.gz MGPJRNHEDAUGPW-QYWGDWMGSA-N -1 3 386.467 3.787 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000826055403 601654402 /nfs/dbraw/zinc/65/44/02/601654402.db2.gz ZWLHPRZSOIKOEH-PXAZEXFGSA-N -1 3 394.443 3.991 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccccc1 ZINC000826045755 601656498 /nfs/dbraw/zinc/65/64/98/601656498.db2.gz YHUMFMGFKZNVKJ-LAUBAEHRSA-N -1 3 382.504 3.865 20 0 GHADHM CSc1ccc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832777503 601731141 /nfs/dbraw/zinc/73/11/41/601731141.db2.gz PIPZWRVCNHGUOW-QFIPXVFZSA-N -1 3 398.528 3.566 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000830620026 601746739 /nfs/dbraw/zinc/74/67/39/601746739.db2.gz NSKJRMKWLCRTJC-UHFFFAOYSA-N -1 3 387.461 3.611 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000832048983 602163669 /nfs/dbraw/zinc/16/36/69/602163669.db2.gz BVBHKWZHQDMJRV-GTNSWQLSSA-N -1 3 394.265 3.943 20 0 GHADHM O=C([O-])NC1CCC(NCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000740559831 603090944 /nfs/dbraw/zinc/09/09/44/603090944.db2.gz MZLGNTXWEXRBPI-UHFFFAOYSA-N -1 3 393.285 3.508 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000826250354 607654016 /nfs/dbraw/zinc/65/40/16/607654016.db2.gz XBPXPVQWCQTHHC-UHFFFAOYSA-N -1 3 391.431 3.859 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000826250354 607654017 /nfs/dbraw/zinc/65/40/17/607654017.db2.gz XBPXPVQWCQTHHC-UHFFFAOYSA-N -1 3 391.431 3.859 20 0 GHADHM O=C([O-])N1CCc2cccc(CNC[C@@H](O)c3cccc(C(F)(F)F)c3)c21 ZINC000832087343 603860841 /nfs/dbraw/zinc/86/08/41/603860841.db2.gz QWZIOVIHQDYTHG-MRXNPFEDSA-N -1 3 380.366 3.569 20 0 GHADHM Cc1ccsc1CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826316068 607660816 /nfs/dbraw/zinc/66/08/16/607660816.db2.gz CEEYNJVXZVDPHI-UHFFFAOYSA-N -1 3 381.505 3.751 20 0 GHADHM Cc1ccsc1CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826316068 607660819 /nfs/dbraw/zinc/66/08/19/607660819.db2.gz CEEYNJVXZVDPHI-UHFFFAOYSA-N -1 3 381.505 3.751 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000826244063 607663383 /nfs/dbraw/zinc/66/33/83/607663383.db2.gz FZNIQUYYLYVFAE-SCLBCKFNSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000826244063 607663385 /nfs/dbraw/zinc/66/33/85/607663385.db2.gz FZNIQUYYLYVFAE-SCLBCKFNSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000826245504 607666525 /nfs/dbraw/zinc/66/65/25/607666525.db2.gz ZTVBLKGBGHCHCN-AWEZNQCLSA-N -1 3 399.857 3.815 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000826245504 607666526 /nfs/dbraw/zinc/66/65/26/607666526.db2.gz ZTVBLKGBGHCHCN-AWEZNQCLSA-N -1 3 399.857 3.815 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000826250232 607685298 /nfs/dbraw/zinc/68/52/98/607685298.db2.gz QLRIVENBOOXSEC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000826250232 607685300 /nfs/dbraw/zinc/68/53/00/607685300.db2.gz QLRIVENBOOXSEC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccccc1-c1csc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826250651 607686919 /nfs/dbraw/zinc/68/69/19/607686919.db2.gz LBOITOZHSDHDIM-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccccc1-c1csc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826250651 607686920 /nfs/dbraw/zinc/68/69/20/607686920.db2.gz LBOITOZHSDHDIM-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828462754 604422690 /nfs/dbraw/zinc/42/26/90/604422690.db2.gz MKCJLNYRTGXVAH-HZMBPMFUSA-N -1 3 381.295 3.725 20 0 GHADHM C[C@@H](Oc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1)C(=O)[O-] ZINC000833539564 604525103 /nfs/dbraw/zinc/52/51/03/604525103.db2.gz HLSDHTHLWPFNDU-OAHLLOKOSA-N -1 3 377.444 3.704 20 0 GHADHM CC(C)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1-c1ccccc1 ZINC000824371523 607703363 /nfs/dbraw/zinc/70/33/63/607703363.db2.gz IVLSMFSGCIPUPP-UHFFFAOYSA-N -1 3 379.449 3.694 20 0 GHADHM CC(C)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1-c1ccccc1 ZINC000824371523 607703366 /nfs/dbraw/zinc/70/33/66/607703366.db2.gz IVLSMFSGCIPUPP-UHFFFAOYSA-N -1 3 379.449 3.694 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)C1 ZINC000824928123 607710075 /nfs/dbraw/zinc/71/00/75/607710075.db2.gz RFQGKSJADPMZTC-BBRMVZONSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)C1 ZINC000824928123 607710077 /nfs/dbraw/zinc/71/00/77/607710077.db2.gz RFQGKSJADPMZTC-BBRMVZONSA-N -1 3 380.452 3.542 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000826245410 607710812 /nfs/dbraw/zinc/71/08/12/607710812.db2.gz XDICDSHEOUEFMW-IBGZPJMESA-N -1 3 375.476 3.803 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000826245410 607710814 /nfs/dbraw/zinc/71/08/14/607710814.db2.gz XDICDSHEOUEFMW-IBGZPJMESA-N -1 3 375.476 3.803 20 0 GHADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824384749 607722819 /nfs/dbraw/zinc/72/28/19/607722819.db2.gz GZPGRCQTXHCKTP-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824384749 607722821 /nfs/dbraw/zinc/72/28/21/607722821.db2.gz GZPGRCQTXHCKTP-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824393832 607722921 /nfs/dbraw/zinc/72/29/21/607722921.db2.gz ULCNJKAFRHAMOS-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824393832 607722922 /nfs/dbraw/zinc/72/29/22/607722922.db2.gz ULCNJKAFRHAMOS-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM Cc1c([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000829859557 604943358 /nfs/dbraw/zinc/94/33/58/604943358.db2.gz OEQRDCPUGKEHLS-INIZCTEOSA-N -1 3 378.476 3.842 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000833414954 605175672 /nfs/dbraw/zinc/17/56/72/605175672.db2.gz TWWOFJCNXVSJJH-FQEVSTJZSA-N -1 3 380.488 3.624 20 0 GHADHM CC(C)(C)c1ccc(C2(NCC(=O)N3CCC(C(=O)[O-])CC3)CCCC2)cc1 ZINC000833450401 605176076 /nfs/dbraw/zinc/17/60/76/605176076.db2.gz RRLJLGTUIBVFJC-UHFFFAOYSA-N -1 3 386.536 3.666 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000833411733 605181925 /nfs/dbraw/zinc/18/19/25/605181925.db2.gz DKGFRRGNAUELFR-CTNGQTDRSA-N -1 3 380.488 3.622 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826233558 607746202 /nfs/dbraw/zinc/74/62/02/607746202.db2.gz MCIGJARZXNKFPH-JTQLQIEISA-N -1 3 380.839 3.801 20 0 GHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826233558 607746203 /nfs/dbraw/zinc/74/62/03/607746203.db2.gz MCIGJARZXNKFPH-JTQLQIEISA-N -1 3 380.839 3.801 20 0 GHADHM O=C([O-])NC[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000834222448 605616976 /nfs/dbraw/zinc/61/69/76/605616976.db2.gz YMDSWGJQNXQUHD-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM O=C(C=Cc1ccsc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826402959 607769076 /nfs/dbraw/zinc/76/90/76/607769076.db2.gz GRVXBBDQUHAYBE-PLNGDYQASA-N -1 3 380.458 3.704 20 0 GHADHM O=C(C=Cc1ccsc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826402959 607769077 /nfs/dbraw/zinc/76/90/77/607769077.db2.gz GRVXBBDQUHAYBE-PLNGDYQASA-N -1 3 380.458 3.704 20 0 GHADHM CCCc1ncc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000825353169 607769315 /nfs/dbraw/zinc/76/93/15/607769315.db2.gz SNIJZEVXXVFVCW-UHFFFAOYSA-N -1 3 397.489 3.652 20 0 GHADHM CCCc1ncc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000825353169 607769316 /nfs/dbraw/zinc/76/93/16/607769316.db2.gz SNIJZEVXXVFVCW-UHFFFAOYSA-N -1 3 397.489 3.652 20 0 GHADHM Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1C ZINC000826341192 607770478 /nfs/dbraw/zinc/77/04/78/607770478.db2.gz ZTVBZPRWRKXZLM-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1C ZINC000826341192 607770479 /nfs/dbraw/zinc/77/04/79/607770479.db2.gz ZTVBZPRWRKXZLM-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(N(Cc2cc(C(=O)[O-])ccc2F)C2CC2)CC1 ZINC000833437769 605839760 /nfs/dbraw/zinc/83/97/60/605839760.db2.gz VRYHWWDLYGBUDE-UHFFFAOYSA-N -1 3 392.471 3.888 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000822585595 606070309 /nfs/dbraw/zinc/07/03/09/606070309.db2.gz GNZGOEMMOWNZSW-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000822585595 606070314 /nfs/dbraw/zinc/07/03/14/606070314.db2.gz GNZGOEMMOWNZSW-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000822235051 606103709 /nfs/dbraw/zinc/10/37/09/606103709.db2.gz PSDIADTXEWRJQF-UHFFFAOYSA-N -1 3 390.403 3.527 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821982988 606151120 /nfs/dbraw/zinc/15/11/20/606151120.db2.gz CHPMRMDAZUOUCI-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820564048 606157158 /nfs/dbraw/zinc/15/71/58/606157158.db2.gz XUUROWJBHXXRDM-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820564048 606157160 /nfs/dbraw/zinc/15/71/60/606157160.db2.gz XUUROWJBHXXRDM-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(-c2cscn2)cc1 ZINC000822935759 606182177 /nfs/dbraw/zinc/18/21/77/606182177.db2.gz MZMYAKPDQFJSKJ-YFHOEESVSA-N -1 3 375.413 3.609 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(-c2cscn2)cc1 ZINC000822935759 606182178 /nfs/dbraw/zinc/18/21/78/606182178.db2.gz MZMYAKPDQFJSKJ-YFHOEESVSA-N -1 3 375.413 3.609 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000821119020 606192543 /nfs/dbraw/zinc/19/25/43/606192543.db2.gz TUIYDWMTPXYBQH-STQMWFEESA-N -1 3 398.417 3.709 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCSc2ccc(Cl)cc21 ZINC000823078919 606193632 /nfs/dbraw/zinc/19/36/32/606193632.db2.gz WWLSGDOLBUNMKO-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCSc2ccc(Cl)cc21 ZINC000823078919 606193633 /nfs/dbraw/zinc/19/36/33/606193633.db2.gz WWLSGDOLBUNMKO-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM CC(C)[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1cccnc1 ZINC000820021426 606228916 /nfs/dbraw/zinc/22/89/16/606228916.db2.gz TYFREONCJFCEJO-OAHLLOKOSA-N -1 3 395.417 3.940 20 0 GHADHM CC(C)[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1cccnc1 ZINC000820021426 606228918 /nfs/dbraw/zinc/22/89/18/606228918.db2.gz TYFREONCJFCEJO-OAHLLOKOSA-N -1 3 395.417 3.940 20 0 GHADHM O=C([C@H]1C[C@H]1C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822917191 606231557 /nfs/dbraw/zinc/23/15/57/606231557.db2.gz PNCUUJHBRXLETL-PMACEKPBSA-N -1 3 391.450 3.581 20 0 GHADHM O=C([C@H]1C[C@H]1C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822917191 606231559 /nfs/dbraw/zinc/23/15/59/606231559.db2.gz PNCUUJHBRXLETL-PMACEKPBSA-N -1 3 391.450 3.581 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1-c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000822622390 606251728 /nfs/dbraw/zinc/25/17/28/606251728.db2.gz CGWIGPGPWOYGHF-UHFFFAOYSA-N -1 3 399.414 3.501 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1-c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000822622390 606251729 /nfs/dbraw/zinc/25/17/29/606251729.db2.gz CGWIGPGPWOYGHF-UHFFFAOYSA-N -1 3 399.414 3.501 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820534150 606269578 /nfs/dbraw/zinc/26/95/78/606269578.db2.gz JFYRJPBVYCTRDC-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820534150 606269579 /nfs/dbraw/zinc/26/95/79/606269579.db2.gz JFYRJPBVYCTRDC-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822422886 606270233 /nfs/dbraw/zinc/27/02/33/606270233.db2.gz FKTSNCFMOGEKKS-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822422886 606270235 /nfs/dbraw/zinc/27/02/35/606270235.db2.gz FKTSNCFMOGEKKS-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM CSCCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821962823 606277079 /nfs/dbraw/zinc/27/70/79/606277079.db2.gz XHDRQXOAVKYPJM-UHFFFAOYSA-N -1 3 399.545 3.891 20 0 GHADHM CSCCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821962823 606277081 /nfs/dbraw/zinc/27/70/81/606277081.db2.gz XHDRQXOAVKYPJM-UHFFFAOYSA-N -1 3 399.545 3.891 20 0 GHADHM C[C@@H]1CSCCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820813555 606278601 /nfs/dbraw/zinc/27/86/01/606278601.db2.gz JMWOTGJGHGOVQJ-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@@H]1CSCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820813555 606278602 /nfs/dbraw/zinc/27/86/02/606278602.db2.gz JMWOTGJGHGOVQJ-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM Cc1csc(Sc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c(C)c2)n1 ZINC000822414403 606318485 /nfs/dbraw/zinc/31/84/85/606318485.db2.gz DNTMTEUFWQGBFV-UHFFFAOYSA-N -1 3 397.489 3.672 20 0 GHADHM Cc1csc(Sc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c(C)c2)n1 ZINC000822414403 606318488 /nfs/dbraw/zinc/31/84/88/606318488.db2.gz DNTMTEUFWQGBFV-UHFFFAOYSA-N -1 3 397.489 3.672 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000822935401 606327307 /nfs/dbraw/zinc/32/73/07/606327307.db2.gz JQOLBHDVJGSBLO-FLIBITNWSA-N -1 3 379.395 3.589 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000822935401 606327309 /nfs/dbraw/zinc/32/73/09/606327309.db2.gz JQOLBHDVJGSBLO-FLIBITNWSA-N -1 3 379.395 3.589 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494872 606338762 /nfs/dbraw/zinc/33/87/62/606338762.db2.gz CTDLCYGPUSZLEO-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494872 606338763 /nfs/dbraw/zinc/33/87/63/606338763.db2.gz CTDLCYGPUSZLEO-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494874 606338791 /nfs/dbraw/zinc/33/87/91/606338791.db2.gz CTDLCYGPUSZLEO-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494874 606338793 /nfs/dbraw/zinc/33/87/93/606338793.db2.gz CTDLCYGPUSZLEO-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495265 606344062 /nfs/dbraw/zinc/34/40/62/606344062.db2.gz GDHYVBHYXAWYTB-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495265 606344064 /nfs/dbraw/zinc/34/40/64/606344064.db2.gz GDHYVBHYXAWYTB-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508312 606344895 /nfs/dbraw/zinc/34/48/95/606344895.db2.gz OMOZGGQVMKKYFX-CYBMUJFWSA-N -1 3 387.399 3.552 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508312 606344897 /nfs/dbraw/zinc/34/48/97/606344897.db2.gz OMOZGGQVMKKYFX-CYBMUJFWSA-N -1 3 387.399 3.552 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512327 606346305 /nfs/dbraw/zinc/34/63/05/606346305.db2.gz KFZOQASWZXCFNW-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512327 606346306 /nfs/dbraw/zinc/34/63/06/606346306.db2.gz KFZOQASWZXCFNW-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820716533 606347174 /nfs/dbraw/zinc/34/71/74/606347174.db2.gz JDYNCGYHFVPLPT-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820716533 606347176 /nfs/dbraw/zinc/34/71/76/606347176.db2.gz JDYNCGYHFVPLPT-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488815 606350626 /nfs/dbraw/zinc/35/06/26/606350626.db2.gz USPPZQVSEZJRQN-PCYYEKQGSA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488815 606350628 /nfs/dbraw/zinc/35/06/28/606350628.db2.gz USPPZQVSEZJRQN-PCYYEKQGSA-N -1 3 389.209 3.540 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000821505840 606352463 /nfs/dbraw/zinc/35/24/63/606352463.db2.gz UFSXZDHCBUEOPC-SNVBAGLBSA-N -1 3 389.460 3.558 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000821505840 606352465 /nfs/dbraw/zinc/35/24/65/606352465.db2.gz UFSXZDHCBUEOPC-SNVBAGLBSA-N -1 3 389.460 3.558 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820487083 606353919 /nfs/dbraw/zinc/35/39/19/606353919.db2.gz FDLLVXUJMQADKP-NLYDNYMLSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@@H](OC(=O)C=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487083 606353921 /nfs/dbraw/zinc/35/39/21/606353921.db2.gz FDLLVXUJMQADKP-NLYDNYMLSA-N -1 3 377.429 3.794 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553125 606355383 /nfs/dbraw/zinc/35/53/83/606355383.db2.gz IVNVBYDFPLICEJ-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553125 606355384 /nfs/dbraw/zinc/35/53/84/606355384.db2.gz IVNVBYDFPLICEJ-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821412886 606362870 /nfs/dbraw/zinc/36/28/70/606362870.db2.gz SROWRPGANBAAKE-UHFFFAOYSA-N -1 3 391.387 3.903 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821412886 606362871 /nfs/dbraw/zinc/36/28/71/606362871.db2.gz SROWRPGANBAAKE-UHFFFAOYSA-N -1 3 391.387 3.903 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3cccc(-c4nnn[n-]4)c3)n2)c(F)cc1F ZINC000822130084 606373757 /nfs/dbraw/zinc/37/37/57/606373757.db2.gz PPPNJUQRVNSCRD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3cccc(-c4nn[n-]n4)c3)n2)c(F)cc1F ZINC000822130084 606373760 /nfs/dbraw/zinc/37/37/60/606373760.db2.gz PPPNJUQRVNSCRD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821454886 606380611 /nfs/dbraw/zinc/38/06/11/606380611.db2.gz HLTLRSWMXQMDHY-ZYHUDNBSSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821454886 606380612 /nfs/dbraw/zinc/38/06/12/606380612.db2.gz HLTLRSWMXQMDHY-ZYHUDNBSSA-N -1 3 380.905 3.706 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822021150 606398588 /nfs/dbraw/zinc/39/85/88/606398588.db2.gz WWKZTYXMHVUJIU-GFCCVEGCSA-N -1 3 393.447 3.576 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822021150 606398589 /nfs/dbraw/zinc/39/85/89/606398589.db2.gz WWKZTYXMHVUJIU-GFCCVEGCSA-N -1 3 393.447 3.576 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820548543 606412294 /nfs/dbraw/zinc/41/22/94/606412294.db2.gz BUVDZBIBIZNQCH-GFCCVEGCSA-N -1 3 387.896 3.805 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820548543 606412296 /nfs/dbraw/zinc/41/22/96/606412296.db2.gz BUVDZBIBIZNQCH-GFCCVEGCSA-N -1 3 387.896 3.805 20 0 GHADHM Cc1ccc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822263762 606413132 /nfs/dbraw/zinc/41/31/32/606413132.db2.gz YJPHGUGXVAZGDE-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Cc1ccc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822263762 606413134 /nfs/dbraw/zinc/41/31/34/606413134.db2.gz YJPHGUGXVAZGDE-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Fc1cccc(C2CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)c1 ZINC000822786797 606425943 /nfs/dbraw/zinc/42/59/43/606425943.db2.gz PXTRCJALLCIOCU-UHFFFAOYSA-N -1 3 392.360 3.804 20 0 GHADHM Fc1cccc(C2CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)c1 ZINC000822786797 606425944 /nfs/dbraw/zinc/42/59/44/606425944.db2.gz PXTRCJALLCIOCU-UHFFFAOYSA-N -1 3 392.360 3.804 20 0 GHADHM Fc1ccc(C2CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000822767159 606433169 /nfs/dbraw/zinc/43/31/69/606433169.db2.gz YNOCKIKTNVKGPX-UHFFFAOYSA-N -1 3 392.360 3.804 20 0 GHADHM Fc1ccc(C2CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000822767159 606433171 /nfs/dbraw/zinc/43/31/71/606433171.db2.gz YNOCKIKTNVKGPX-UHFFFAOYSA-N -1 3 392.360 3.804 20 0 GHADHM C[C@H]1c2ccsc2CCN1c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820825819 606442933 /nfs/dbraw/zinc/44/29/33/606442933.db2.gz FASXGQAKCCMKSM-VIFPVBQESA-N -1 3 384.415 3.878 20 0 GHADHM C[C@H]1c2ccsc2CCN1c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820825819 606442935 /nfs/dbraw/zinc/44/29/35/606442935.db2.gz FASXGQAKCCMKSM-VIFPVBQESA-N -1 3 384.415 3.878 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1cccnc1 ZINC000822775285 606445129 /nfs/dbraw/zinc/44/51/29/606445129.db2.gz ULNZJIPDTUDISQ-OAHLLOKOSA-N -1 3 395.829 3.944 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1cccnc1 ZINC000822775285 606445130 /nfs/dbraw/zinc/44/51/30/606445130.db2.gz ULNZJIPDTUDISQ-OAHLLOKOSA-N -1 3 395.829 3.944 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000823151288 606450485 /nfs/dbraw/zinc/45/04/85/606450485.db2.gz YUNXOKKUFGBPNV-UHFFFAOYSA-N -1 3 394.454 3.680 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000823151288 606450487 /nfs/dbraw/zinc/45/04/87/606450487.db2.gz YUNXOKKUFGBPNV-UHFFFAOYSA-N -1 3 394.454 3.680 20 0 GHADHM Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ccc1C(N)=O ZINC000822209550 606457431 /nfs/dbraw/zinc/45/74/31/606457431.db2.gz NPKIAFWSJIMAJC-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ccc1C(N)=O ZINC000822209550 606457434 /nfs/dbraw/zinc/45/74/34/606457434.db2.gz NPKIAFWSJIMAJC-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM CCCCc1nc(-c2ccc(OC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)no1 ZINC000821077571 606462857 /nfs/dbraw/zinc/46/28/57/606462857.db2.gz LZURENSCTRJARC-UHFFFAOYSA-N -1 3 396.432 3.540 20 0 GHADHM CCCCc1nc(-c2ccc(OC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)no1 ZINC000821077571 606462859 /nfs/dbraw/zinc/46/28/59/606462859.db2.gz LZURENSCTRJARC-UHFFFAOYSA-N -1 3 396.432 3.540 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820507458 606468388 /nfs/dbraw/zinc/46/83/88/606468388.db2.gz HNOFNJZDCPWFJR-ZJUUUORDSA-N -1 3 385.474 3.887 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820507458 606468390 /nfs/dbraw/zinc/46/83/90/606468390.db2.gz HNOFNJZDCPWFJR-ZJUUUORDSA-N -1 3 385.474 3.887 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820555634 606483557 /nfs/dbraw/zinc/48/35/57/606483557.db2.gz ONXHXVCZZKJMTA-JTQLQIEISA-N -1 3 395.360 3.939 20 0 GHADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820555634 606483558 /nfs/dbraw/zinc/48/35/58/606483558.db2.gz ONXHXVCZZKJMTA-JTQLQIEISA-N -1 3 395.360 3.939 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820570296 606502748 /nfs/dbraw/zinc/50/27/48/606502748.db2.gz GLWDWVFEWLRPJF-ZDUSSCGKSA-N -1 3 381.867 3.815 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820570296 606502750 /nfs/dbraw/zinc/50/27/50/606502750.db2.gz GLWDWVFEWLRPJF-ZDUSSCGKSA-N -1 3 381.867 3.815 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1N1CCc2ccccc21 ZINC000823108129 606507545 /nfs/dbraw/zinc/50/75/45/606507545.db2.gz KIOYNWWLPUQURB-UHFFFAOYSA-N -1 3 396.454 3.742 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1N1CCc2ccccc21 ZINC000823108129 606507547 /nfs/dbraw/zinc/50/75/47/606507547.db2.gz KIOYNWWLPUQURB-UHFFFAOYSA-N -1 3 396.454 3.742 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821461146 606507767 /nfs/dbraw/zinc/50/77/67/606507767.db2.gz KOHBIIYRIFITAL-UHFFFAOYSA-N -1 3 391.859 3.701 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821461146 606507769 /nfs/dbraw/zinc/50/77/69/606507769.db2.gz KOHBIIYRIFITAL-UHFFFAOYSA-N -1 3 391.859 3.701 20 0 GHADHM Cc1cscc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822414436 606512263 /nfs/dbraw/zinc/51/22/63/606512263.db2.gz FRTIKNFWMUYZNW-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140318 606515245 /nfs/dbraw/zinc/51/52/45/606515245.db2.gz SBSMYGVQKSOEEH-CQSZACIVSA-N -1 3 381.486 3.704 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140318 606515246 /nfs/dbraw/zinc/51/52/46/606515246.db2.gz SBSMYGVQKSOEEH-CQSZACIVSA-N -1 3 381.486 3.704 20 0 GHADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820241938 606523578 /nfs/dbraw/zinc/52/35/78/606523578.db2.gz KIRUBZAPEBTMGE-JTQLQIEISA-N -1 3 395.410 3.871 20 0 GHADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820241938 606523580 /nfs/dbraw/zinc/52/35/80/606523580.db2.gz KIRUBZAPEBTMGE-JTQLQIEISA-N -1 3 395.410 3.871 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358366 606529183 /nfs/dbraw/zinc/52/91/83/606529183.db2.gz MVAWZCYSXWXCBP-YWPYICTPSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358366 606529184 /nfs/dbraw/zinc/52/91/84/606529184.db2.gz MVAWZCYSXWXCBP-YWPYICTPSA-N -1 3 396.417 3.596 20 0 GHADHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1Oc1cccnc1 ZINC000822208375 606534810 /nfs/dbraw/zinc/53/48/10/606534810.db2.gz OWJLVWABKCAUFY-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1Oc1cccnc1 ZINC000822208375 606534813 /nfs/dbraw/zinc/53/48/13/606534813.db2.gz OWJLVWABKCAUFY-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1ccccc1)c1ccccc1 ZINC000823087105 606536811 /nfs/dbraw/zinc/53/68/11/606536811.db2.gz GROOJCKGQAAHMI-UHFFFAOYSA-N -1 3 383.455 3.685 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1ccccc1)c1ccccc1 ZINC000823087105 606536812 /nfs/dbraw/zinc/53/68/12/606536812.db2.gz GROOJCKGQAAHMI-UHFFFAOYSA-N -1 3 383.455 3.685 20 0 GHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820819458 606547403 /nfs/dbraw/zinc/54/74/03/606547403.db2.gz ITOFNGCWCGVISZ-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820819458 606547405 /nfs/dbraw/zinc/54/74/05/606547405.db2.gz ITOFNGCWCGVISZ-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819951237 606548238 /nfs/dbraw/zinc/54/82/38/606548238.db2.gz PNWGFVDKESMAAD-UHFFFAOYSA-N -1 3 379.464 3.753 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819951237 606548239 /nfs/dbraw/zinc/54/82/39/606548239.db2.gz PNWGFVDKESMAAD-UHFFFAOYSA-N -1 3 379.464 3.753 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000820717866 606573270 /nfs/dbraw/zinc/57/32/70/606573270.db2.gz XXQIZFUZGXTFMW-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000820717866 606573272 /nfs/dbraw/zinc/57/32/72/606573272.db2.gz XXQIZFUZGXTFMW-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000819950313 606575162 /nfs/dbraw/zinc/57/51/62/606575162.db2.gz IHCPRFUOAZREBV-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000819950313 606575164 /nfs/dbraw/zinc/57/51/64/606575164.db2.gz IHCPRFUOAZREBV-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1OC(F)F ZINC000822254500 606597414 /nfs/dbraw/zinc/59/74/14/606597414.db2.gz LMTWMTCKSYASJI-UHFFFAOYSA-N -1 3 397.332 3.990 20 0 GHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1OC(F)F ZINC000822254500 606597416 /nfs/dbraw/zinc/59/74/16/606597416.db2.gz LMTWMTCKSYASJI-UHFFFAOYSA-N -1 3 397.332 3.990 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819765057 606601787 /nfs/dbraw/zinc/60/17/87/606601787.db2.gz MQAORHDIIQOWCR-XZHRJIJLSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819765057 606601788 /nfs/dbraw/zinc/60/17/88/606601788.db2.gz MQAORHDIIQOWCR-XZHRJIJLSA-N -1 3 399.401 3.749 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cnccc1-c1cccc(F)c1 ZINC000823363935 606613533 /nfs/dbraw/zinc/61/35/33/606613533.db2.gz RGYQQULNXYMDKM-UHFFFAOYSA-N -1 3 375.367 3.712 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cnccc1-c1cccc(F)c1 ZINC000823363935 606613534 /nfs/dbraw/zinc/61/35/34/606613534.db2.gz RGYQQULNXYMDKM-UHFFFAOYSA-N -1 3 375.367 3.712 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000821777536 606628630 /nfs/dbraw/zinc/62/86/30/606628630.db2.gz HOQUEDCMPQRWTG-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000821777536 606628631 /nfs/dbraw/zinc/62/86/31/606628631.db2.gz HOQUEDCMPQRWTG-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM Cc1[nH]ccc1C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000822205637 606631717 /nfs/dbraw/zinc/63/17/17/606631717.db2.gz BMOJXRQTHRYXCH-UHFFFAOYSA-N -1 3 390.422 3.798 20 0 GHADHM Cc1[nH]ccc1C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000822205637 606631719 /nfs/dbraw/zinc/63/17/19/606631719.db2.gz BMOJXRQTHRYXCH-UHFFFAOYSA-N -1 3 390.422 3.798 20 0 GHADHM Cc1sc(NC(=O)CCCc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000822557157 606664897 /nfs/dbraw/zinc/66/48/97/606664897.db2.gz GYOUKNNBPLDERO-UHFFFAOYSA-N -1 3 377.420 3.785 20 0 GHADHM Cc1sc(NC(=O)CCCc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000822557157 606664898 /nfs/dbraw/zinc/66/48/98/606664898.db2.gz GYOUKNNBPLDERO-UHFFFAOYSA-N -1 3 377.420 3.785 20 0 GHADHM O=C(Nc1cccc(OC2CCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823368384 606667340 /nfs/dbraw/zinc/66/73/40/606667340.db2.gz VSPYPJSLMUBHFV-UHFFFAOYSA-N -1 3 385.374 3.719 20 0 GHADHM O=C(Nc1cccc(OC2CCCC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823368384 606667341 /nfs/dbraw/zinc/66/73/41/606667341.db2.gz VSPYPJSLMUBHFV-UHFFFAOYSA-N -1 3 385.374 3.719 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000820086980 606670580 /nfs/dbraw/zinc/67/05/80/606670580.db2.gz ISKPXHSVEKMPQT-SFTDATJTSA-N -1 3 389.503 3.730 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000820086980 606670581 /nfs/dbraw/zinc/67/05/81/606670581.db2.gz ISKPXHSVEKMPQT-SFTDATJTSA-N -1 3 389.503 3.730 20 0 GHADHM O=C(Nc1cccc(SC(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823367282 606677208 /nfs/dbraw/zinc/67/72/08/606677208.db2.gz HZVASTPXWYQEOY-UHFFFAOYSA-N -1 3 383.330 3.712 20 0 GHADHM O=C(Nc1cccc(SC(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823367282 606677209 /nfs/dbraw/zinc/67/72/09/606677209.db2.gz HZVASTPXWYQEOY-UHFFFAOYSA-N -1 3 383.330 3.712 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000821104958 606679970 /nfs/dbraw/zinc/67/99/70/606679970.db2.gz TWXXAHZHUANONH-HNNXBMFYSA-N -1 3 396.470 3.997 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000821104958 606679971 /nfs/dbraw/zinc/67/99/71/606679971.db2.gz TWXXAHZHUANONH-HNNXBMFYSA-N -1 3 396.470 3.997 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820881797 606682522 /nfs/dbraw/zinc/68/25/22/606682522.db2.gz DAYJHQWEMDZDDM-HNNXBMFYSA-N -1 3 379.464 3.673 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820881797 606682523 /nfs/dbraw/zinc/68/25/23/606682523.db2.gz DAYJHQWEMDZDDM-HNNXBMFYSA-N -1 3 379.464 3.673 20 0 GHADHM CC[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820989219 606689624 /nfs/dbraw/zinc/68/96/24/606689624.db2.gz OJBKNYSYMBGKJK-AWEZNQCLSA-N -1 3 379.489 3.890 20 0 GHADHM CC[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820989219 606689625 /nfs/dbraw/zinc/68/96/25/606689625.db2.gz OJBKNYSYMBGKJK-AWEZNQCLSA-N -1 3 379.489 3.890 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](CC)OC2CCCCC2)c1-c1nnn[n-]1 ZINC000821465671 606726304 /nfs/dbraw/zinc/72/63/04/606726304.db2.gz NFPPZBCYYXVZES-AWEZNQCLSA-N -1 3 377.514 3.865 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](CC)OC2CCCCC2)c1-c1nn[n-]n1 ZINC000821465671 606726306 /nfs/dbraw/zinc/72/63/06/606726306.db2.gz NFPPZBCYYXVZES-AWEZNQCLSA-N -1 3 377.514 3.865 20 0 GHADHM COc1cccc(C=C2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)c1 ZINC000821862400 606753880 /nfs/dbraw/zinc/75/38/80/606753880.db2.gz ASSXXLRQUUGZCY-UHFFFAOYSA-N -1 3 379.439 3.694 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000822211766 606770777 /nfs/dbraw/zinc/77/07/77/606770777.db2.gz NXVLZYFQSFNDJA-BEFAXECRSA-N -1 3 390.447 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000822211766 606770778 /nfs/dbraw/zinc/77/07/78/606770778.db2.gz NXVLZYFQSFNDJA-BEFAXECRSA-N -1 3 390.447 3.984 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cccc1C(F)(F)F ZINC000822075711 606771953 /nfs/dbraw/zinc/77/19/53/606771953.db2.gz HULOPIQJNIGLTL-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cccc1C(F)(F)F ZINC000822075711 606771955 /nfs/dbraw/zinc/77/19/55/606771955.db2.gz HULOPIQJNIGLTL-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)no1 ZINC000822209398 606776988 /nfs/dbraw/zinc/77/69/88/606776988.db2.gz HIVFEIQZHRMWCK-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc(F)cc(Cl)c1 ZINC000823299467 606791601 /nfs/dbraw/zinc/79/16/01/606791601.db2.gz YTDPNNPTPRMNCW-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc(F)cc(Cl)c1 ZINC000823299467 606791603 /nfs/dbraw/zinc/79/16/03/606791603.db2.gz YTDPNNPTPRMNCW-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1-c1nnn[n-]1 ZINC000821465648 606810661 /nfs/dbraw/zinc/81/06/61/606810661.db2.gz MEIGNYQGIFNGMO-UHFFFAOYSA-N -1 3 398.423 3.845 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1-c1nn[n-]n1 ZINC000821465648 606810663 /nfs/dbraw/zinc/81/06/63/606810663.db2.gz MEIGNYQGIFNGMO-UHFFFAOYSA-N -1 3 398.423 3.845 20 0 GHADHM CC(C)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)n1 ZINC000820192593 606811011 /nfs/dbraw/zinc/81/10/11/606811011.db2.gz VJNWGPZRHLKWDS-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)n1 ZINC000820192593 606811012 /nfs/dbraw/zinc/81/10/12/606811012.db2.gz VJNWGPZRHLKWDS-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=S)Nc1ccccc1-c1nnn[n-]1)CCC2 ZINC000821509675 606835829 /nfs/dbraw/zinc/83/58/29/606835829.db2.gz LAJIWCQJYKJMBR-CQSZACIVSA-N -1 3 399.549 3.592 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=S)Nc1ccccc1-c1nn[n-]n1)CCC2 ZINC000821509675 606835831 /nfs/dbraw/zinc/83/58/31/606835831.db2.gz LAJIWCQJYKJMBR-CQSZACIVSA-N -1 3 399.549 3.592 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)cc1 ZINC000822143864 606840862 /nfs/dbraw/zinc/84/08/62/606840862.db2.gz HSFUROOUASLMOR-PBHICJAKSA-N -1 3 394.431 3.549 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)cc1 ZINC000822143864 606840863 /nfs/dbraw/zinc/84/08/63/606840863.db2.gz HSFUROOUASLMOR-PBHICJAKSA-N -1 3 394.431 3.549 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)O1 ZINC000820678770 606869545 /nfs/dbraw/zinc/86/95/45/606869545.db2.gz YCSXJEAERODHTF-GTNSWQLSSA-N -1 3 399.838 3.818 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)O1 ZINC000820678770 606869546 /nfs/dbraw/zinc/86/95/46/606869546.db2.gz YCSXJEAERODHTF-GTNSWQLSSA-N -1 3 399.838 3.818 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823331256 606906680 /nfs/dbraw/zinc/90/66/80/606906680.db2.gz DGRXMNRUMDFEFJ-INIZCTEOSA-N -1 3 394.410 3.574 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823331256 606906681 /nfs/dbraw/zinc/90/66/81/606906681.db2.gz DGRXMNRUMDFEFJ-INIZCTEOSA-N -1 3 394.410 3.574 20 0 GHADHM COCCOc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821693822 606923067 /nfs/dbraw/zinc/92/30/67/606923067.db2.gz OWWQYSQDKPUWPY-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821693822 606923069 /nfs/dbraw/zinc/92/30/69/606923069.db2.gz OWWQYSQDKPUWPY-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(OC3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822723597 606928382 /nfs/dbraw/zinc/92/83/82/606928382.db2.gz HFORTJFCPDOXRL-UHFFFAOYSA-N -1 3 381.402 3.814 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(OC3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723597 606928384 /nfs/dbraw/zinc/92/83/84/606928384.db2.gz HFORTJFCPDOXRL-UHFFFAOYSA-N -1 3 381.402 3.814 20 0 GHADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)C2)n1 ZINC000822197468 606932656 /nfs/dbraw/zinc/93/26/56/606932656.db2.gz BXPLJZLZNQYVSR-CQSZACIVSA-N -1 3 391.401 3.540 20 0 GHADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)C2)n1 ZINC000822197468 606932658 /nfs/dbraw/zinc/93/26/58/606932658.db2.gz BXPLJZLZNQYVSR-CQSZACIVSA-N -1 3 391.401 3.540 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820051532 606940792 /nfs/dbraw/zinc/94/07/92/606940792.db2.gz QAOPKOPKSIVZQO-NRFANRHFSA-N -1 3 375.476 3.581 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820051532 606940793 /nfs/dbraw/zinc/94/07/93/606940793.db2.gz QAOPKOPKSIVZQO-NRFANRHFSA-N -1 3 375.476 3.581 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000823478670 606940798 /nfs/dbraw/zinc/94/07/98/606940798.db2.gz OOFAAFYAKNUAPL-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000823478670 606940799 /nfs/dbraw/zinc/94/07/99/606940799.db2.gz OOFAAFYAKNUAPL-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820519955 606958628 /nfs/dbraw/zinc/95/86/28/606958628.db2.gz XPRXXZDOXITYEK-LBPRGKRZSA-N -1 3 377.876 3.611 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820519955 606958629 /nfs/dbraw/zinc/95/86/29/606958629.db2.gz XPRXXZDOXITYEK-LBPRGKRZSA-N -1 3 377.876 3.611 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820519954 606958648 /nfs/dbraw/zinc/95/86/48/606958648.db2.gz XPRXXZDOXITYEK-GFCCVEGCSA-N -1 3 377.876 3.611 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820519954 606958649 /nfs/dbraw/zinc/95/86/49/606958649.db2.gz XPRXXZDOXITYEK-GFCCVEGCSA-N -1 3 377.876 3.611 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569314 606960751 /nfs/dbraw/zinc/96/07/51/606960751.db2.gz FUMNNIYPXGQBBB-GXTWGEPZSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569314 606960752 /nfs/dbraw/zinc/96/07/52/606960752.db2.gz FUMNNIYPXGQBBB-GXTWGEPZSA-N -1 3 389.793 3.565 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822464022 606965390 /nfs/dbraw/zinc/96/53/90/606965390.db2.gz YHTHJEWXTNZNNL-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822464022 606965392 /nfs/dbraw/zinc/96/53/92/606965392.db2.gz YHTHJEWXTNZNNL-UHFFFAOYSA-N -1 3 378.823 3.653 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822423023 606972527 /nfs/dbraw/zinc/97/25/27/606972527.db2.gz HHQRPRNGDQBILH-UHFFFAOYSA-N -1 3 382.474 3.637 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822423023 606972529 /nfs/dbraw/zinc/97/25/29/606972529.db2.gz HHQRPRNGDQBILH-UHFFFAOYSA-N -1 3 382.474 3.637 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822207085 606987678 /nfs/dbraw/zinc/98/76/78/606987678.db2.gz KHNGEYREWBTVBC-OAHLLOKOSA-N -1 3 376.464 3.806 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822207085 606987679 /nfs/dbraw/zinc/98/76/79/606987679.db2.gz KHNGEYREWBTVBC-OAHLLOKOSA-N -1 3 376.464 3.806 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000821449969 606988928 /nfs/dbraw/zinc/98/89/28/606988928.db2.gz YWQKPDKGIPAGOQ-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000821449969 606988929 /nfs/dbraw/zinc/98/89/29/606988929.db2.gz YWQKPDKGIPAGOQ-SECBINFHSA-N -1 3 380.474 3.636 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822229451 606992451 /nfs/dbraw/zinc/99/24/51/606992451.db2.gz VBKIFTMLSYKNAF-OAHLLOKOSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822229451 606992452 /nfs/dbraw/zinc/99/24/52/606992452.db2.gz VBKIFTMLSYKNAF-OAHLLOKOSA-N -1 3 379.464 3.518 20 0 GHADHM CC(C)c1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1Cc1ccco1 ZINC000820211345 607006300 /nfs/dbraw/zinc/00/63/00/607006300.db2.gz JFGRGIMFZYBYSO-UHFFFAOYSA-N -1 3 399.455 3.654 20 0 GHADHM CC(C)c1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1Cc1ccco1 ZINC000820211345 607006302 /nfs/dbraw/zinc/00/63/02/607006302.db2.gz JFGRGIMFZYBYSO-UHFFFAOYSA-N -1 3 399.455 3.654 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1ccncc1 ZINC000820727205 607006662 /nfs/dbraw/zinc/00/66/62/607006662.db2.gz ITYFOKCEZWHIKE-NEPJUHHUSA-N -1 3 382.493 3.580 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1ccncc1 ZINC000820727205 607006664 /nfs/dbraw/zinc/00/66/64/607006664.db2.gz ITYFOKCEZWHIKE-NEPJUHHUSA-N -1 3 382.493 3.580 20 0 GHADHM Fc1ccc(CSc2n[nH]c(C=Cc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822773990 607008754 /nfs/dbraw/zinc/00/87/54/607008754.db2.gz DJBRTPBAZFDCBP-VQHVLOKHSA-N -1 3 379.424 3.587 20 0 GHADHM Fc1ccc(CSc2n[nH]c(C=Cc3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822773990 607008756 /nfs/dbraw/zinc/00/87/56/607008756.db2.gz DJBRTPBAZFDCBP-VQHVLOKHSA-N -1 3 379.424 3.587 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820554850 607013249 /nfs/dbraw/zinc/01/32/49/607013249.db2.gz AIKOAFGJGXRBSO-WFASDCNBSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820554850 607013250 /nfs/dbraw/zinc/01/32/50/607013250.db2.gz AIKOAFGJGXRBSO-WFASDCNBSA-N -1 3 385.518 3.773 20 0 GHADHM Cc1cccc(-c2noc(CSCc3cc(F)ccc3-c3nnn[n-]3)n2)c1 ZINC000822284515 607034959 /nfs/dbraw/zinc/03/49/59/607034959.db2.gz SEUKKNYZEUHJSQ-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cccc(-c2noc(CSCc3cc(F)ccc3-c3nn[n-]n3)n2)c1 ZINC000822284515 607034961 /nfs/dbraw/zinc/03/49/61/607034961.db2.gz SEUKKNYZEUHJSQ-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cc2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)n2c2ccccc12 ZINC000822213029 607037918 /nfs/dbraw/zinc/03/79/18/607037918.db2.gz RFQMSLQCARVGOY-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM Cc1cc2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)n2c2ccccc12 ZINC000822213029 607037920 /nfs/dbraw/zinc/03/79/20/607037920.db2.gz RFQMSLQCARVGOY-UHFFFAOYSA-N -1 3 391.435 3.802 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000821119425 607041025 /nfs/dbraw/zinc/04/10/25/607041025.db2.gz ZFBMMPOFQDSWND-CSKARUKUSA-N -1 3 399.458 3.889 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823078943 607056471 /nfs/dbraw/zinc/05/64/71/607056471.db2.gz YEKJMOLEPBPGCS-UHFFFAOYSA-N -1 3 381.439 3.666 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823078943 607056473 /nfs/dbraw/zinc/05/64/73/607056473.db2.gz YEKJMOLEPBPGCS-UHFFFAOYSA-N -1 3 381.439 3.666 20 0 GHADHM O=C(OC[C@H]1CCCOC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823396467 607081834 /nfs/dbraw/zinc/08/18/34/607081834.db2.gz JWZKYMJUVNERBB-AWEZNQCLSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OC[C@H]1CCCOC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823396467 607081835 /nfs/dbraw/zinc/08/18/35/607081835.db2.gz JWZKYMJUVNERBB-AWEZNQCLSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Oc2ccccc2)ccn1 ZINC000823413160 607086262 /nfs/dbraw/zinc/08/62/62/607086262.db2.gz BNXIXIQKGFCOPR-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Oc2ccccc2)ccn1 ZINC000823413160 607086264 /nfs/dbraw/zinc/08/62/64/607086264.db2.gz BNXIXIQKGFCOPR-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Brc1cc2cccnc2c(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000819688516 607117281 /nfs/dbraw/zinc/11/72/81/607117281.db2.gz JJQJADVRQFWPBH-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Brc1cc2cccnc2c(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000819688516 607117283 /nfs/dbraw/zinc/11/72/83/607117283.db2.gz JJQJADVRQFWPBH-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Cc1coc(-c2ccc(C)c(NCCOc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822402396 607125333 /nfs/dbraw/zinc/12/53/33/607125333.db2.gz ABXDKUIRGHFLTB-UHFFFAOYSA-N -1 3 376.420 3.629 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1nn2cc(-c3ccccc3)nc2s1 ZINC000822748339 607128724 /nfs/dbraw/zinc/12/87/24/607128724.db2.gz UUTVVORYXWFTDB-UHFFFAOYSA-N -1 3 379.380 3.569 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1nn2cc(-c3ccccc3)nc2s1 ZINC000822748339 607128725 /nfs/dbraw/zinc/12/87/25/607128725.db2.gz UUTVVORYXWFTDB-UHFFFAOYSA-N -1 3 379.380 3.569 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c(Cl)cc1F ZINC000822183652 607142539 /nfs/dbraw/zinc/14/25/39/607142539.db2.gz JECWNQQEIVQDOE-UHFFFAOYSA-N -1 3 377.832 3.770 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c(Cl)cc1F ZINC000822183652 607142541 /nfs/dbraw/zinc/14/25/41/607142541.db2.gz JECWNQQEIVQDOE-UHFFFAOYSA-N -1 3 377.832 3.770 20 0 GHADHM CCO[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C(C)C ZINC000821350693 607156561 /nfs/dbraw/zinc/15/65/61/607156561.db2.gz BLRQIVKFXTWPIM-OAHLLOKOSA-N -1 3 385.493 3.985 20 0 GHADHM CCO[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C(C)C ZINC000821350693 607156562 /nfs/dbraw/zinc/15/65/62/607156562.db2.gz BLRQIVKFXTWPIM-OAHLLOKOSA-N -1 3 385.493 3.985 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000822190783 607174781 /nfs/dbraw/zinc/17/47/81/607174781.db2.gz AQDJKPPYMDNZHU-AWEZNQCLSA-N -1 3 395.536 3.598 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000822190783 607174782 /nfs/dbraw/zinc/17/47/82/607174782.db2.gz AQDJKPPYMDNZHU-AWEZNQCLSA-N -1 3 395.536 3.598 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299297 607187926 /nfs/dbraw/zinc/18/79/26/607187926.db2.gz QKVSGZZSTDIQQJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299297 607187927 /nfs/dbraw/zinc/18/79/27/607187927.db2.gz QKVSGZZSTDIQQJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821777971 607195703 /nfs/dbraw/zinc/19/57/03/607195703.db2.gz QNICVAOSYPTIRP-NSHDSACASA-N -1 3 386.843 3.754 20 0 GHADHM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821777971 607195704 /nfs/dbraw/zinc/19/57/04/607195704.db2.gz QNICVAOSYPTIRP-NSHDSACASA-N -1 3 386.843 3.754 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1ccccc1)CC(F)F ZINC000823314593 607204031 /nfs/dbraw/zinc/20/40/31/607204031.db2.gz ROAAIZPKUSHDDF-UHFFFAOYSA-N -1 3 392.797 3.819 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1ccccc1)CC(F)F ZINC000823314593 607204032 /nfs/dbraw/zinc/20/40/32/607204032.db2.gz ROAAIZPKUSHDDF-UHFFFAOYSA-N -1 3 392.797 3.819 20 0 GHADHM CC1(C)CCC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)CC1 ZINC000820589580 607209015 /nfs/dbraw/zinc/20/90/15/607209015.db2.gz ICVPTPQISZYBIB-UHFFFAOYSA-N -1 3 395.429 3.974 20 0 GHADHM CC1(C)CCC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)CC1 ZINC000820589580 607209016 /nfs/dbraw/zinc/20/90/16/607209016.db2.gz ICVPTPQISZYBIB-UHFFFAOYSA-N -1 3 395.429 3.974 20 0 GHADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822983936 607240772 /nfs/dbraw/zinc/24/07/72/607240772.db2.gz YLHGWPJZNFEAIN-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822983936 607240773 /nfs/dbraw/zinc/24/07/73/607240773.db2.gz YLHGWPJZNFEAIN-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000823318759 607240798 /nfs/dbraw/zinc/24/07/98/607240798.db2.gz JKXMOLGGEHADGB-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000823318759 607240799 /nfs/dbraw/zinc/24/07/99/607240799.db2.gz JKXMOLGGEHADGB-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823313882 607243245 /nfs/dbraw/zinc/24/32/45/607243245.db2.gz KXMIEOYMPYJNBW-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823313882 607243246 /nfs/dbraw/zinc/24/32/46/607243246.db2.gz KXMIEOYMPYJNBW-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915141 607782368 /nfs/dbraw/zinc/78/23/68/607782368.db2.gz BKHPFNGQENTDRV-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915141 607782369 /nfs/dbraw/zinc/78/23/69/607782369.db2.gz BKHPFNGQENTDRV-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000825553762 607784761 /nfs/dbraw/zinc/78/47/61/607784761.db2.gz VXDRUCQWWIXAHS-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000825553762 607784762 /nfs/dbraw/zinc/78/47/62/607784762.db2.gz VXDRUCQWWIXAHS-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826283365 607787501 /nfs/dbraw/zinc/78/75/01/607787501.db2.gz PEJBVJRXNZDZFF-OAHLLOKOSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826283365 607787502 /nfs/dbraw/zinc/78/75/02/607787502.db2.gz PEJBVJRXNZDZFF-OAHLLOKOSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(Br)c1 ZINC000826278781 607794012 /nfs/dbraw/zinc/79/40/12/607794012.db2.gz SNZRHBHWOPBMLL-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(Br)c1 ZINC000826278781 607794013 /nfs/dbraw/zinc/79/40/13/607794013.db2.gz SNZRHBHWOPBMLL-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CC1(C)C ZINC000826268998 607794022 /nfs/dbraw/zinc/79/40/22/607794022.db2.gz XATTVQWIXFXCKJ-QGZVFWFLSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC1(C)C ZINC000826268998 607794023 /nfs/dbraw/zinc/79/40/23/607794023.db2.gz XATTVQWIXFXCKJ-QGZVFWFLSA-N -1 3 379.439 3.894 20 0 GHADHM CCN(C(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379946 607795682 /nfs/dbraw/zinc/79/56/82/607795682.db2.gz MSCFDDFSVJWESM-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379946 607795683 /nfs/dbraw/zinc/79/56/83/607795683.db2.gz MSCFDDFSVJWESM-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)COc1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371973 607796448 /nfs/dbraw/zinc/79/64/48/607796448.db2.gz PGLCRAVTPOGPDI-UHFFFAOYSA-N -1 3 399.454 3.966 20 0 GHADHM CCN(C(=O)COc1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371973 607796449 /nfs/dbraw/zinc/79/64/49/607796449.db2.gz PGLCRAVTPOGPDI-UHFFFAOYSA-N -1 3 399.454 3.966 20 0 GHADHM CCN(C(=O)c1cc(Br)ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379700 607796610 /nfs/dbraw/zinc/79/66/10/607796610.db2.gz JZCMGEAVJUVWMZ-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1cc(Br)ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379700 607796611 /nfs/dbraw/zinc/79/66/11/607796611.db2.gz JZCMGEAVJUVWMZ-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376559 607796688 /nfs/dbraw/zinc/79/66/88/607796688.db2.gz JQTOIFCCCJGFHT-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376559 607796689 /nfs/dbraw/zinc/79/66/89/607796689.db2.gz JQTOIFCCCJGFHT-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCN(C(=O)c1cc(Cl)c(Cl)cc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380939 607798264 /nfs/dbraw/zinc/79/82/64/607798264.db2.gz XHXRKHQCYWEXMO-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCN(C(=O)c1cc(Cl)c(Cl)cc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380939 607798265 /nfs/dbraw/zinc/79/82/65/607798265.db2.gz XHXRKHQCYWEXMO-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCN(C(=O)CCc1ccc(OC)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372012 607799242 /nfs/dbraw/zinc/79/92/42/607799242.db2.gz PXMMZLSVLFAOQX-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCN(C(=O)CCc1ccc(OC)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372012 607799243 /nfs/dbraw/zinc/79/92/43/607799243.db2.gz PXMMZLSVLFAOQX-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000736155062 607801033 /nfs/dbraw/zinc/80/10/33/607801033.db2.gz GOHWAYAWSIDFAH-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000736155062 607801034 /nfs/dbraw/zinc/80/10/34/607801034.db2.gz GOHWAYAWSIDFAH-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000825559213 607808844 /nfs/dbraw/zinc/80/88/44/607808844.db2.gz DPHHTJRTURCREB-MRXNPFEDSA-N -1 3 399.451 3.747 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000825559213 607808845 /nfs/dbraw/zinc/80/88/45/607808845.db2.gz DPHHTJRTURCREB-MRXNPFEDSA-N -1 3 399.451 3.747 20 0 GHADHM O=S(=O)(CCSc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826485106 607814826 /nfs/dbraw/zinc/81/48/26/607814826.db2.gz CDEQOLNKSRBJLR-UHFFFAOYSA-N -1 3 396.497 3.586 20 0 GHADHM O=S(=O)(CCSc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826485106 607814827 /nfs/dbraw/zinc/81/48/27/607814827.db2.gz CDEQOLNKSRBJLR-UHFFFAOYSA-N -1 3 396.497 3.586 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367931 607816687 /nfs/dbraw/zinc/81/66/87/607816687.db2.gz XUAWAKUCUYXXGY-OCCSQVGLSA-N -1 3 382.468 3.575 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367931 607816688 /nfs/dbraw/zinc/81/66/88/607816688.db2.gz XUAWAKUCUYXXGY-OCCSQVGLSA-N -1 3 382.468 3.575 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCOCc2ccc(Cl)cc2)n1 ZINC000826368423 607819565 /nfs/dbraw/zinc/81/95/65/607819565.db2.gz OXPXAXZRQIEOEL-UHFFFAOYSA-N -1 3 398.776 3.563 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCOCc2ccc(Cl)cc2)n1 ZINC000826368423 607819566 /nfs/dbraw/zinc/81/95/66/607819566.db2.gz OXPXAXZRQIEOEL-UHFFFAOYSA-N -1 3 398.776 3.563 20 0 GHADHM CCCOc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000825339425 607839645 /nfs/dbraw/zinc/83/96/45/607839645.db2.gz ZRROLGXAELRIRE-UHFFFAOYSA-N -1 3 390.447 3.824 20 0 GHADHM CCCOc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000825339425 607839646 /nfs/dbraw/zinc/83/96/46/607839646.db2.gz ZRROLGXAELRIRE-UHFFFAOYSA-N -1 3 390.447 3.824 20 0 GHADHM CN(C)c1cccc([C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825880057 607842047 /nfs/dbraw/zinc/84/20/47/607842047.db2.gz WDZZEWUASJJNIC-HXUWFJFHSA-N -1 3 385.475 3.822 20 0 GHADHM CN(C)c1cccc([C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825880057 607842048 /nfs/dbraw/zinc/84/20/48/607842048.db2.gz WDZZEWUASJJNIC-HXUWFJFHSA-N -1 3 385.475 3.822 20 0 GHADHM Cc1cccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1Cl ZINC000826295935 607854802 /nfs/dbraw/zinc/85/48/02/607854802.db2.gz DQTDGGARJYKWGR-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cccc1-c1ccccn1 ZINC000826234569 607857111 /nfs/dbraw/zinc/85/71/11/607857111.db2.gz CVDSTCPCEUZTKR-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cccc1-c1ccccn1 ZINC000826234569 607857112 /nfs/dbraw/zinc/85/71/12/607857112.db2.gz CVDSTCPCEUZTKR-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362284 607877871 /nfs/dbraw/zinc/87/78/71/607877871.db2.gz LXQHIBLBKCAZFS-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362284 607877872 /nfs/dbraw/zinc/87/78/72/607877872.db2.gz LXQHIBLBKCAZFS-ZDUSSCGKSA-N -1 3 385.855 3.649 20 0 GHADHM CCSc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000825674358 607878098 /nfs/dbraw/zinc/87/80/98/607878098.db2.gz KIBDMYIPVILUHU-UHFFFAOYSA-N -1 3 388.884 3.694 20 0 GHADHM CCSc1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000825674358 607878099 /nfs/dbraw/zinc/87/80/99/607878099.db2.gz KIBDMYIPVILUHU-UHFFFAOYSA-N -1 3 388.884 3.694 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826503929 607878418 /nfs/dbraw/zinc/87/84/18/607878418.db2.gz JTUVUMNELWBGSU-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000826503929 607878419 /nfs/dbraw/zinc/87/84/19/607878419.db2.gz JTUVUMNELWBGSU-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc(F)cc1 ZINC000826505430 607878601 /nfs/dbraw/zinc/87/86/01/607878601.db2.gz VLRSYMZILZRCDQ-FQEVSTJZSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@@H](COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(F)cc1 ZINC000826505430 607878602 /nfs/dbraw/zinc/87/86/02/607878602.db2.gz VLRSYMZILZRCDQ-FQEVSTJZSA-N -1 3 392.390 3.911 20 0 GHADHM CCN(C(=O)c1sc(Cl)nc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390441 607879079 /nfs/dbraw/zinc/87/90/79/607879079.db2.gz FCVCLVJQAATVMX-UHFFFAOYSA-N -1 3 383.264 3.605 20 0 GHADHM CCN(C(=O)c1sc(Cl)nc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390441 607879080 /nfs/dbraw/zinc/87/90/80/607879080.db2.gz FCVCLVJQAATVMX-UHFFFAOYSA-N -1 3 383.264 3.605 20 0 GHADHM CC(C)CSCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824274980 607879273 /nfs/dbraw/zinc/87/92/73/607879273.db2.gz OWGYHIPWTDFLCJ-UHFFFAOYSA-N -1 3 384.962 3.586 20 0 GHADHM CC(C)CSCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824274980 607879274 /nfs/dbraw/zinc/87/92/74/607879274.db2.gz OWGYHIPWTDFLCJ-UHFFFAOYSA-N -1 3 384.962 3.586 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000825620521 607885983 /nfs/dbraw/zinc/88/59/83/607885983.db2.gz CQGNOEZDJASHLJ-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000825620521 607885984 /nfs/dbraw/zinc/88/59/84/607885984.db2.gz CQGNOEZDJASHLJ-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333374 607911745 /nfs/dbraw/zinc/91/17/45/607911745.db2.gz IVSMRAXVNQUBJH-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333374 607911746 /nfs/dbraw/zinc/91/17/46/607911746.db2.gz IVSMRAXVNQUBJH-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000826323938 607913116 /nfs/dbraw/zinc/91/31/16/607913116.db2.gz YMAMAOOVUABULA-JTQLQIEISA-N -1 3 376.511 3.650 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000826323938 607913117 /nfs/dbraw/zinc/91/31/17/607913117.db2.gz YMAMAOOVUABULA-JTQLQIEISA-N -1 3 376.511 3.650 20 0 GHADHM Fc1ccc(CNc2nnc(SCc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000826374757 607913884 /nfs/dbraw/zinc/91/38/84/607913884.db2.gz LHFUONVLOHQGAX-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(CNc2nnc(SCc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000826374757 607913885 /nfs/dbraw/zinc/91/38/85/607913885.db2.gz LHFUONVLOHQGAX-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000824507771 607917275 /nfs/dbraw/zinc/91/72/75/607917275.db2.gz YFOMCZFZBFXGEY-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000824507771 607917276 /nfs/dbraw/zinc/91/72/76/607917276.db2.gz YFOMCZFZBFXGEY-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM CCc1c(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825686914 607923544 /nfs/dbraw/zinc/92/35/44/607923544.db2.gz BMPZWYQBUBGTFK-HNNXBMFYSA-N -1 3 395.511 3.505 20 0 GHADHM CCc1c(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825686914 607923545 /nfs/dbraw/zinc/92/35/45/607923545.db2.gz BMPZWYQBUBGTFK-HNNXBMFYSA-N -1 3 395.511 3.505 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826460259 607931957 /nfs/dbraw/zinc/93/19/57/607931957.db2.gz UUBXKGLXTCXAAJ-UHFFFAOYSA-N -1 3 389.444 3.585 20 0 GHADHM O=C(Nc1ncc(-c2ccccc2)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826460259 607931958 /nfs/dbraw/zinc/93/19/58/607931958.db2.gz UUBXKGLXTCXAAJ-UHFFFAOYSA-N -1 3 389.444 3.585 20 0 GHADHM CS[C@H](C)CC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826224895 607932493 /nfs/dbraw/zinc/93/24/93/607932493.db2.gz OMZHTAOZVWOJPU-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM CS[C@H](C)CC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826224895 607932494 /nfs/dbraw/zinc/93/24/94/607932494.db2.gz OMZHTAOZVWOJPU-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM CC(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)(c1ccccc1)c1ccccc1 ZINC000824038906 607952809 /nfs/dbraw/zinc/95/28/09/607952809.db2.gz AKXHQPQLCBKGBD-UHFFFAOYSA-N -1 3 395.466 3.762 20 0 GHADHM CC(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)(c1ccccc1)c1ccccc1 ZINC000824038906 607952810 /nfs/dbraw/zinc/95/28/10/607952810.db2.gz AKXHQPQLCBKGBD-UHFFFAOYSA-N -1 3 395.466 3.762 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824753458 607953626 /nfs/dbraw/zinc/95/36/26/607953626.db2.gz DETXESVIGJCIJI-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824753458 607953627 /nfs/dbraw/zinc/95/36/27/607953627.db2.gz DETXESVIGJCIJI-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826403188 607962585 /nfs/dbraw/zinc/96/25/85/607962585.db2.gz LVIUEOVXYYTOJI-WAYWQWQTSA-N -1 3 386.868 3.507 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826403188 607962586 /nfs/dbraw/zinc/96/25/86/607962586.db2.gz LVIUEOVXYYTOJI-WAYWQWQTSA-N -1 3 386.868 3.507 20 0 GHADHM Cc1sc(NC(=O)C(F)(F)c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000826349909 607962742 /nfs/dbraw/zinc/96/27/42/607962742.db2.gz ZFMLHPMCPGFIJW-UHFFFAOYSA-N -1 3 385.346 3.554 20 0 GHADHM Cc1sc(NC(=O)C(F)(F)c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000826349909 607962743 /nfs/dbraw/zinc/96/27/43/607962743.db2.gz ZFMLHPMCPGFIJW-UHFFFAOYSA-N -1 3 385.346 3.554 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)c1c(F)cccc1F ZINC000826452818 607963711 /nfs/dbraw/zinc/96/37/11/607963711.db2.gz KCCKMRBQGABLDN-UHFFFAOYSA-N -1 3 385.708 3.529 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)c1c(F)cccc1F ZINC000826452818 607963712 /nfs/dbraw/zinc/96/37/12/607963712.db2.gz KCCKMRBQGABLDN-UHFFFAOYSA-N -1 3 385.708 3.529 20 0 GHADHM CN(CCc1ccc(F)cc1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825946462 607963847 /nfs/dbraw/zinc/96/38/47/607963847.db2.gz ZCPSGZTUZZNUOX-UHFFFAOYSA-N -1 3 394.237 3.627 20 0 GHADHM CN(CCc1ccc(F)cc1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825946462 607963848 /nfs/dbraw/zinc/96/38/48/607963848.db2.gz ZCPSGZTUZZNUOX-UHFFFAOYSA-N -1 3 394.237 3.627 20 0 GHADHM O=C(N[C@@H]1CCCc2occc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826430681 607964373 /nfs/dbraw/zinc/96/43/73/607964373.db2.gz ISFFNSFPIOFTLU-GFCCVEGCSA-N -1 3 378.219 3.574 20 0 GHADHM O=C(N[C@@H]1CCCc2occc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826430681 607964374 /nfs/dbraw/zinc/96/43/74/607964374.db2.gz ISFFNSFPIOFTLU-GFCCVEGCSA-N -1 3 378.219 3.574 20 0 GHADHM C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520679 607969293 /nfs/dbraw/zinc/96/92/93/607969293.db2.gz BGPSYYCZSDOUJU-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520679 607969294 /nfs/dbraw/zinc/96/92/94/607969294.db2.gz BGPSYYCZSDOUJU-LBPRGKRZSA-N -1 3 389.381 3.853 20 0 GHADHM CCN(C(=O)[C@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825361576 607984220 /nfs/dbraw/zinc/98/42/20/607984220.db2.gz FSHQGNVNOPAKJR-AWEZNQCLSA-N -1 3 397.504 3.550 20 0 GHADHM CCN(C(=O)[C@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825361576 607984221 /nfs/dbraw/zinc/98/42/21/607984221.db2.gz FSHQGNVNOPAKJR-AWEZNQCLSA-N -1 3 397.504 3.550 20 0 GHADHM CC(C)(C)[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824070724 608012112 /nfs/dbraw/zinc/01/21/12/608012112.db2.gz APACUEKVBVZLPF-CQSZACIVSA-N -1 3 388.415 3.620 20 0 GHADHM CC(C)(C)[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824070724 608012113 /nfs/dbraw/zinc/01/21/13/608012113.db2.gz APACUEKVBVZLPF-CQSZACIVSA-N -1 3 388.415 3.620 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824471484 608024681 /nfs/dbraw/zinc/02/46/81/608024681.db2.gz QWSZYUGBULCSKL-CYBMUJFWSA-N -1 3 397.429 3.834 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824471484 608024682 /nfs/dbraw/zinc/02/46/82/608024682.db2.gz QWSZYUGBULCSKL-CYBMUJFWSA-N -1 3 397.429 3.834 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(-c2ccoc2)c1 ZINC000826460911 608024775 /nfs/dbraw/zinc/02/47/75/608024775.db2.gz XTVBKYHLDJZQEL-UHFFFAOYSA-N -1 3 377.429 3.929 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(-c2ccoc2)c1 ZINC000826460911 608024776 /nfs/dbraw/zinc/02/47/76/608024776.db2.gz XTVBKYHLDJZQEL-UHFFFAOYSA-N -1 3 377.429 3.929 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000826245323 608032287 /nfs/dbraw/zinc/03/22/87/608032287.db2.gz UUVCAQYXCSFRFA-IBGZPJMESA-N -1 3 375.476 3.803 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000826245323 608032288 /nfs/dbraw/zinc/03/22/88/608032288.db2.gz UUVCAQYXCSFRFA-IBGZPJMESA-N -1 3 375.476 3.803 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000825385663 608053131 /nfs/dbraw/zinc/05/31/31/608053131.db2.gz POMIVQDHUCMXLA-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000825385663 608053132 /nfs/dbraw/zinc/05/31/32/608053132.db2.gz POMIVQDHUCMXLA-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826329418 608077956 /nfs/dbraw/zinc/07/79/56/608077956.db2.gz CGIFLYDWGWGZLU-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826329418 608077957 /nfs/dbraw/zinc/07/79/57/608077957.db2.gz CGIFLYDWGWGZLU-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824967979 608102509 /nfs/dbraw/zinc/10/25/09/608102509.db2.gz OIEBNZJWLNWLOX-VBKZILBWSA-N -1 3 393.516 3.540 20 0 GHADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824967979 608102510 /nfs/dbraw/zinc/10/25/10/608102510.db2.gz OIEBNZJWLNWLOX-VBKZILBWSA-N -1 3 393.516 3.540 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825014274 608141177 /nfs/dbraw/zinc/14/11/77/608141177.db2.gz VGXNFXANVAVMNO-LBPRGKRZSA-N -1 3 399.907 3.838 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825014274 608141178 /nfs/dbraw/zinc/14/11/78/608141178.db2.gz VGXNFXANVAVMNO-LBPRGKRZSA-N -1 3 399.907 3.838 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297662 608162255 /nfs/dbraw/zinc/16/22/55/608162255.db2.gz OHUKKLZZUGABJV-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1cccc(C2=CCN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297662 608162257 /nfs/dbraw/zinc/16/22/57/608162257.db2.gz OHUKKLZZUGABJV-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1csc2ccccc12 ZINC000825796800 608179241 /nfs/dbraw/zinc/17/92/41/608179241.db2.gz OPZMSTGVUDQIFH-UHFFFAOYSA-N -1 3 389.444 3.703 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1csc2ccccc12 ZINC000825796800 608179242 /nfs/dbraw/zinc/17/92/42/608179242.db2.gz OPZMSTGVUDQIFH-UHFFFAOYSA-N -1 3 389.444 3.703 20 0 GHADHM CCCCC[C@@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)C(C)C ZINC000825268606 608189411 /nfs/dbraw/zinc/18/94/11/608189411.db2.gz WADKVHKPBBYAAO-QGZVFWFLSA-N -1 3 395.511 3.726 20 0 GHADHM CCCCC[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)C(C)C ZINC000825268606 608189413 /nfs/dbraw/zinc/18/94/13/608189413.db2.gz WADKVHKPBBYAAO-QGZVFWFLSA-N -1 3 395.511 3.726 20 0 GHADHM Fc1ccc2ncnc(Oc3ccc(Br)cc3-c3nnn[n-]3)c2c1 ZINC000826376332 608191277 /nfs/dbraw/zinc/19/12/77/608191277.db2.gz YQXVKJIRLCZISM-UHFFFAOYSA-N -1 3 387.172 3.504 20 0 GHADHM Fc1ccc2ncnc(Oc3ccc(Br)cc3-c3nn[n-]n3)c2c1 ZINC000826376332 608191278 /nfs/dbraw/zinc/19/12/78/608191278.db2.gz YQXVKJIRLCZISM-UHFFFAOYSA-N -1 3 387.172 3.504 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000824756335 608205918 /nfs/dbraw/zinc/20/59/18/608205918.db2.gz NWCNAWWWQHWDJH-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000824756335 608205919 /nfs/dbraw/zinc/20/59/19/608205919.db2.gz NWCNAWWWQHWDJH-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCCc2ccccc21 ZINC000824755982 608206995 /nfs/dbraw/zinc/20/69/95/608206995.db2.gz NFHQWSDGTPJVHQ-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000824755982 608206996 /nfs/dbraw/zinc/20/69/96/608206996.db2.gz NFHQWSDGTPJVHQ-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000825577315 608229983 /nfs/dbraw/zinc/22/99/83/608229983.db2.gz VMPOJWAQRGVWDR-LBPRGKRZSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000825577315 608229985 /nfs/dbraw/zinc/22/99/85/608229985.db2.gz VMPOJWAQRGVWDR-LBPRGKRZSA-N -1 3 395.492 3.605 20 0 GHADHM Cn1ccnc1C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826364164 608230815 /nfs/dbraw/zinc/23/08/15/608230815.db2.gz MXPSQBDWNJFWNF-LJQANCHMSA-N -1 3 396.458 3.544 20 0 GHADHM C[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1nc(-c2ccccc2)no1 ZINC000824434368 608234339 /nfs/dbraw/zinc/23/43/39/608234339.db2.gz JDPLVJATAQAPIF-ZDUSSCGKSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1nc(-c2ccccc2)no1 ZINC000824434368 608234341 /nfs/dbraw/zinc/23/43/41/608234341.db2.gz JDPLVJATAQAPIF-ZDUSSCGKSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824385676 608256262 /nfs/dbraw/zinc/25/62/62/608256262.db2.gz YXKSGPXKTOHKJP-KBPBESRZSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824385676 608256263 /nfs/dbraw/zinc/25/62/63/608256263.db2.gz YXKSGPXKTOHKJP-KBPBESRZSA-N -1 3 383.883 3.966 20 0 GHADHM Cc1cccnc1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826308343 608258766 /nfs/dbraw/zinc/25/87/66/608258766.db2.gz VHTBBHDTVCZVOB-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000825825612 608265712 /nfs/dbraw/zinc/26/57/12/608265712.db2.gz GAMPGSCFJFWDHN-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000825825612 608265714 /nfs/dbraw/zinc/26/57/14/608265714.db2.gz GAMPGSCFJFWDHN-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(SC)c1 ZINC000825318882 608268866 /nfs/dbraw/zinc/26/88/66/608268866.db2.gz STFIZYNZJGJLOR-UHFFFAOYSA-N -1 3 385.468 3.780 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(SC)c1 ZINC000825318882 608268868 /nfs/dbraw/zinc/26/88/68/608268868.db2.gz STFIZYNZJGJLOR-UHFFFAOYSA-N -1 3 385.468 3.780 20 0 GHADHM Cc1nc2[nH]ccc2c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826327717 608294625 /nfs/dbraw/zinc/29/46/25/608294625.db2.gz ROWPPBDUROMNSH-UHFFFAOYSA-N -1 3 382.431 3.726 20 0 GHADHM Cc1nc2[nH]ccc2c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826327717 608294627 /nfs/dbraw/zinc/29/46/27/608294627.db2.gz ROWPPBDUROMNSH-UHFFFAOYSA-N -1 3 382.431 3.726 20 0 GHADHM Cc1cc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c(C)c1 ZINC000826263096 608300254 /nfs/dbraw/zinc/30/02/54/608300254.db2.gz KYLXAYGXTSFMAC-UHFFFAOYSA-N -1 3 379.464 3.760 20 0 GHADHM Cc1cc(C)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c(C)c1 ZINC000826263096 608300257 /nfs/dbraw/zinc/30/02/57/608300257.db2.gz KYLXAYGXTSFMAC-UHFFFAOYSA-N -1 3 379.464 3.760 20 0 GHADHM CCCn1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)c1C1CC1 ZINC000825362653 608304986 /nfs/dbraw/zinc/30/49/86/608304986.db2.gz QJFIZETUKUOVSA-UHFFFAOYSA-N -1 3 385.497 3.535 20 0 GHADHM CCCn1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)c1C1CC1 ZINC000825362653 608304988 /nfs/dbraw/zinc/30/49/88/608304988.db2.gz QJFIZETUKUOVSA-UHFFFAOYSA-N -1 3 385.497 3.535 20 0 GHADHM CCc1cccnc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825727900 608306433 /nfs/dbraw/zinc/30/64/33/608306433.db2.gz DCYNEAALFKFKIN-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1C ZINC000824955311 608313175 /nfs/dbraw/zinc/31/31/75/608313175.db2.gz OCBUJHHCDIGXBB-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721752 608317797 /nfs/dbraw/zinc/31/77/97/608317797.db2.gz DDEZZZFKNGLKNZ-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721752 608317798 /nfs/dbraw/zinc/31/77/98/608317798.db2.gz DDEZZZFKNGLKNZ-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM CCN(C(=O)[C@@H]1Cc2ccccc2S1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367382 608343994 /nfs/dbraw/zinc/34/39/94/608343994.db2.gz OODKCTKDGCLBID-INIZCTEOSA-N -1 3 385.880 3.590 20 0 GHADHM CCN(C(=O)[C@@H]1Cc2ccccc2S1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367382 608343995 /nfs/dbraw/zinc/34/39/95/608343995.db2.gz OODKCTKDGCLBID-INIZCTEOSA-N -1 3 385.880 3.590 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367114 608344849 /nfs/dbraw/zinc/34/48/49/608344849.db2.gz JDEXIYDTKIOYAW-WMLDXEAASA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367114 608344851 /nfs/dbraw/zinc/34/48/51/608344851.db2.gz JDEXIYDTKIOYAW-WMLDXEAASA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)[C@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367112 608344867 /nfs/dbraw/zinc/34/48/67/608344867.db2.gz JDEXIYDTKIOYAW-PBHICJAKSA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)[C@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367112 608344869 /nfs/dbraw/zinc/34/48/69/608344869.db2.gz JDEXIYDTKIOYAW-PBHICJAKSA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367115 608344910 /nfs/dbraw/zinc/34/49/10/608344910.db2.gz JDEXIYDTKIOYAW-YOEHRIQHSA-N -1 3 381.867 3.752 20 0 GHADHM CCN(C(=O)[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367115 608344912 /nfs/dbraw/zinc/34/49/12/608344912.db2.gz JDEXIYDTKIOYAW-YOEHRIQHSA-N -1 3 381.867 3.752 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc2n[nH]cc21 ZINC000826270557 608384513 /nfs/dbraw/zinc/38/45/13/608384513.db2.gz FMAYTYIRXHVPQD-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc2n[nH]cc21 ZINC000826270557 608384515 /nfs/dbraw/zinc/38/45/15/608384515.db2.gz FMAYTYIRXHVPQD-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM C[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1cc(Cl)ccc1Cl ZINC000824562860 608434331 /nfs/dbraw/zinc/43/43/31/608434331.db2.gz KHSHTBOFXCUVGJ-QMMMGPOBSA-N -1 3 397.291 3.524 20 0 GHADHM C[C@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1cc(Cl)ccc1Cl ZINC000824562860 608434332 /nfs/dbraw/zinc/43/43/32/608434332.db2.gz KHSHTBOFXCUVGJ-QMMMGPOBSA-N -1 3 397.291 3.524 20 0 GHADHM Cc1ccc(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826291412 608475708 /nfs/dbraw/zinc/47/57/08/608475708.db2.gz DZKJZEAFVYBZBF-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM Cc1ccc(NC(=S)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826291412 608475709 /nfs/dbraw/zinc/47/57/09/608475709.db2.gz DZKJZEAFVYBZBF-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824457608 608478032 /nfs/dbraw/zinc/47/80/32/608478032.db2.gz QTBZSHDYSCDWJI-HNNXBMFYSA-N -1 3 391.450 3.500 20 0 GHADHM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824457608 608478034 /nfs/dbraw/zinc/47/80/34/608478034.db2.gz QTBZSHDYSCDWJI-HNNXBMFYSA-N -1 3 391.450 3.500 20 0 GHADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826293473 608478712 /nfs/dbraw/zinc/47/87/12/608478712.db2.gz QNNNBVXNSUTDRL-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826293473 608478714 /nfs/dbraw/zinc/47/87/14/608478714.db2.gz QNNNBVXNSUTDRL-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM O=C(c1cc2cc(F)ccc2o1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470563 608478955 /nfs/dbraw/zinc/47/89/55/608478955.db2.gz UXDQGKZZUAEXDS-UHFFFAOYSA-N -1 3 389.390 3.682 20 0 GHADHM O=C(c1cc2cc(F)ccc2o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470563 608478958 /nfs/dbraw/zinc/47/89/58/608478958.db2.gz UXDQGKZZUAEXDS-UHFFFAOYSA-N -1 3 389.390 3.682 20 0 GHADHM O=C(/C=C/SCc1ccco1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399991 608478968 /nfs/dbraw/zinc/47/89/68/608478968.db2.gz MGROHXYEFGKBDU-UKTHLTGXSA-N -1 3 393.472 3.523 20 0 GHADHM O=C(/C=C/SCc1ccco1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399991 608478970 /nfs/dbraw/zinc/47/89/70/608478970.db2.gz MGROHXYEFGKBDU-UKTHLTGXSA-N -1 3 393.472 3.523 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(c2ccccc2)CCCC1 ZINC000826425532 608479470 /nfs/dbraw/zinc/47/94/70/608479470.db2.gz IINXSPAPGFNPOO-UHFFFAOYSA-N -1 3 399.498 3.994 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(c2ccccc2)CCCC1 ZINC000826425532 608479471 /nfs/dbraw/zinc/47/94/71/608479471.db2.gz IINXSPAPGFNPOO-UHFFFAOYSA-N -1 3 399.498 3.994 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825154795 608479707 /nfs/dbraw/zinc/47/97/07/608479707.db2.gz UBGCDUAISJBUJX-FQEVSTJZSA-N -1 3 395.507 3.610 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825154795 608479709 /nfs/dbraw/zinc/47/97/09/608479709.db2.gz UBGCDUAISJBUJX-FQEVSTJZSA-N -1 3 395.507 3.610 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000824347529 608480202 /nfs/dbraw/zinc/48/02/02/608480202.db2.gz CBQBVVLGASLCKJ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000824347529 608480204 /nfs/dbraw/zinc/48/02/04/608480204.db2.gz CBQBVVLGASLCKJ-CQSZACIVSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)(C)c1ncc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000824141063 608481214 /nfs/dbraw/zinc/48/12/14/608481214.db2.gz CBEJTMZTSLQUOL-UHFFFAOYSA-N -1 3 394.504 3.550 20 0 GHADHM CC(C)(C)c1ncc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000824141063 608481216 /nfs/dbraw/zinc/48/12/16/608481216.db2.gz CBEJTMZTSLQUOL-UHFFFAOYSA-N -1 3 394.504 3.550 20 0 GHADHM CCn1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2ccccc21 ZINC000825799880 608481456 /nfs/dbraw/zinc/48/14/56/608481456.db2.gz VEMFAOWVCLFUFC-UHFFFAOYSA-N -1 3 398.470 3.771 20 0 GHADHM CCn1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2ccccc21 ZINC000825799880 608481458 /nfs/dbraw/zinc/48/14/58/608481458.db2.gz VEMFAOWVCLFUFC-UHFFFAOYSA-N -1 3 398.470 3.771 20 0 GHADHM Cc1[nH]c2ccccc2c1CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826233300 608483076 /nfs/dbraw/zinc/48/30/76/608483076.db2.gz BQOQTMPEAJFIDZ-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM Cc1[nH]c2ccccc2c1CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826233300 608483077 /nfs/dbraw/zinc/48/30/77/608483077.db2.gz BQOQTMPEAJFIDZ-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824532892 608491993 /nfs/dbraw/zinc/49/19/93/608491993.db2.gz XSPOHKNHQRTSPI-RYUDHWBXSA-N -1 3 395.854 3.982 20 0 GHADHM CC[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000825153436 608499929 /nfs/dbraw/zinc/49/99/29/608499929.db2.gz HKIUENWZCWUHLT-QGZVFWFLSA-N -1 3 384.461 3.662 20 0 GHADHM CC[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000825153436 608499931 /nfs/dbraw/zinc/49/99/31/608499931.db2.gz HKIUENWZCWUHLT-QGZVFWFLSA-N -1 3 384.461 3.662 20 0 GHADHM C[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000824563093 608534493 /nfs/dbraw/zinc/53/44/93/608534493.db2.gz LDXIHFBEVZSLOV-MRVPVSSYSA-N -1 3 397.291 3.524 20 0 GHADHM C[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000824563093 608534494 /nfs/dbraw/zinc/53/44/94/608534494.db2.gz LDXIHFBEVZSLOV-MRVPVSSYSA-N -1 3 397.291 3.524 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826473422 608534641 /nfs/dbraw/zinc/53/46/41/608534641.db2.gz XQJFMVZWZRQEOJ-UHFFFAOYSA-N -1 3 387.896 3.677 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCC1=O ZINC000824868230 608539272 /nfs/dbraw/zinc/53/92/72/608539272.db2.gz UHXSDHXYBWVLNG-NWDGAFQWSA-N -1 3 387.509 3.531 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCC1=O ZINC000824868230 608539274 /nfs/dbraw/zinc/53/92/74/608539274.db2.gz UHXSDHXYBWVLNG-NWDGAFQWSA-N -1 3 387.509 3.531 20 0 GHADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825833278 608546226 /nfs/dbraw/zinc/54/62/26/608546226.db2.gz DYERGLHNYSTTKA-UHFFFAOYSA-N -1 3 397.744 3.695 20 0 GHADHM CN(C(=O)c1ccccc1OC(F)(F)F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825833278 608546228 /nfs/dbraw/zinc/54/62/28/608546228.db2.gz DYERGLHNYSTTKA-UHFFFAOYSA-N -1 3 397.744 3.695 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826278297 608549116 /nfs/dbraw/zinc/54/91/16/608549116.db2.gz WUALPSLIORCNIC-KRWDZBQOSA-N -1 3 394.483 3.664 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826278297 608549117 /nfs/dbraw/zinc/54/91/17/608549117.db2.gz WUALPSLIORCNIC-KRWDZBQOSA-N -1 3 394.483 3.664 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000824171968 608559988 /nfs/dbraw/zinc/55/99/88/608559988.db2.gz HSCPBLCFRLIPJB-UHFFFAOYSA-N -1 3 388.431 3.658 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3ccccc3-c3nnn[n-]3)cn2)c1 ZINC000826368899 608569588 /nfs/dbraw/zinc/56/95/88/608569588.db2.gz FORALBXJWCKUBJ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3ccccc3-c3nn[n-]n3)cn2)c1 ZINC000826368899 608569590 /nfs/dbraw/zinc/56/95/90/608569590.db2.gz FORALBXJWCKUBJ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459052 608577338 /nfs/dbraw/zinc/57/73/38/608577338.db2.gz SOIROEDEJJKPGQ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459052 608577340 /nfs/dbraw/zinc/57/73/40/608577340.db2.gz SOIROEDEJJKPGQ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000825787300 608660091 /nfs/dbraw/zinc/66/00/91/608660091.db2.gz BBQMNFCXGHPOGJ-QGZVFWFLSA-N -1 3 379.493 3.635 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000825787300 608660092 /nfs/dbraw/zinc/66/00/92/608660092.db2.gz BBQMNFCXGHPOGJ-QGZVFWFLSA-N -1 3 379.493 3.635 20 0 GHADHM Cc1sc2nc(SCc3cccc(-c4nnn[n-]4)c3F)nc(N)c2c1C ZINC000826350197 608669454 /nfs/dbraw/zinc/66/94/54/608669454.db2.gz LUQXTYXAQKXUSQ-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM Cc1sc2nc(SCc3cccc(-c4nn[n-]n4)c3F)nc(N)c2c1C ZINC000826350197 608669455 /nfs/dbraw/zinc/66/94/55/608669455.db2.gz LUQXTYXAQKXUSQ-UHFFFAOYSA-N -1 3 387.469 3.502 20 0 GHADHM Fc1c(CSc2nnc(-c3cccs3)n2C2CC2)cccc1-c1nnn[n-]1 ZINC000826371843 608670128 /nfs/dbraw/zinc/67/01/28/608670128.db2.gz WPUNHAFCMUEHBR-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Fc1c(CSc2nnc(-c3cccs3)n2C2CC2)cccc1-c1nn[n-]n1 ZINC000826371843 608670129 /nfs/dbraw/zinc/67/01/29/608670129.db2.gz WPUNHAFCMUEHBR-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Cc1nnc(N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826335882 608799720 /nfs/dbraw/zinc/79/97/20/608799720.db2.gz FULGLEZUWPGUAX-HNNXBMFYSA-N -1 3 389.385 3.856 20 0 GHADHM Cc1nnc(N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826335882 608799721 /nfs/dbraw/zinc/79/97/21/608799721.db2.gz FULGLEZUWPGUAX-HNNXBMFYSA-N -1 3 389.385 3.856 20 0 GHADHM FC(F)(F)c1ccccc1C1=CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826369121 608843700 /nfs/dbraw/zinc/84/37/00/608843700.db2.gz NTHNGFPUEGJPKH-UHFFFAOYSA-N -1 3 375.354 3.768 20 0 GHADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826462404 608845209 /nfs/dbraw/zinc/84/52/09/608845209.db2.gz XFCALMNWRZNJJQ-HNNXBMFYSA-N -1 3 399.382 3.548 20 0 GHADHM O=C(O[C@H](c1nccs1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826462404 608845212 /nfs/dbraw/zinc/84/52/12/608845212.db2.gz XFCALMNWRZNJJQ-HNNXBMFYSA-N -1 3 399.382 3.548 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825599190 609175301 /nfs/dbraw/zinc/17/53/01/609175301.db2.gz IXWAJMBKQFLJIB-CQSZACIVSA-N -1 3 385.443 3.732 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825599190 609175303 /nfs/dbraw/zinc/17/53/03/609175303.db2.gz IXWAJMBKQFLJIB-CQSZACIVSA-N -1 3 385.443 3.732 20 0 GHADHM CC(C)CCCS[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824244107 609181959 /nfs/dbraw/zinc/18/19/59/609181959.db2.gz QPYOGQKFLKGDGL-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)CCCS[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824244107 609181960 /nfs/dbraw/zinc/18/19/60/609181960.db2.gz QPYOGQKFLKGDGL-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427614 609211784 /nfs/dbraw/zinc/21/17/84/609211784.db2.gz VMYPISMPJZFIJM-NRFANRHFSA-N -1 3 394.438 3.867 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427614 609211786 /nfs/dbraw/zinc/21/17/86/609211786.db2.gz VMYPISMPJZFIJM-NRFANRHFSA-N -1 3 394.438 3.867 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272748 609219521 /nfs/dbraw/zinc/21/95/21/609219521.db2.gz ZKTXHEDCYJFNJI-KRWDZBQOSA-N -1 3 397.504 3.738 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272748 609219522 /nfs/dbraw/zinc/21/95/22/609219522.db2.gz ZKTXHEDCYJFNJI-KRWDZBQOSA-N -1 3 397.504 3.738 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Br ZINC000826209680 609235954 /nfs/dbraw/zinc/23/59/54/609235954.db2.gz LWXLHXHRGPYPDE-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Br ZINC000826209680 609235956 /nfs/dbraw/zinc/23/59/56/609235956.db2.gz LWXLHXHRGPYPDE-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM c1cc(OC[C@@H]2CCCO2)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517379 609238076 /nfs/dbraw/zinc/23/80/76/609238076.db2.gz AAOOKOQUWCRMGU-PZJWPPBQSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(OC[C@@H]2CCCO2)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517379 609238077 /nfs/dbraw/zinc/23/80/77/609238077.db2.gz AAOOKOQUWCRMGU-PZJWPPBQSA-N -1 3 391.475 3.914 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2-c2nnn[n-]2)CC1 ZINC000826507236 609241341 /nfs/dbraw/zinc/24/13/41/609241341.db2.gz KZUGJQFYLBKPKY-IXDOHACOSA-N -1 3 396.539 3.599 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2-c2nn[n-]n2)CC1 ZINC000826507236 609241342 /nfs/dbraw/zinc/24/13/42/609241342.db2.gz KZUGJQFYLBKPKY-IXDOHACOSA-N -1 3 396.539 3.599 20 0 GHADHM C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663303 609246795 /nfs/dbraw/zinc/24/67/95/609246795.db2.gz XWUJQBWZVBQXNF-OAHLLOKOSA-N -1 3 376.464 3.552 20 0 GHADHM C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663303 609246797 /nfs/dbraw/zinc/24/67/97/609246797.db2.gz XWUJQBWZVBQXNF-OAHLLOKOSA-N -1 3 376.464 3.552 20 0 GHADHM C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656836 609247072 /nfs/dbraw/zinc/24/70/72/609247072.db2.gz NIKIGCSPXOTUJM-INIZCTEOSA-N -1 3 390.491 3.595 20 0 GHADHM C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656836 609247074 /nfs/dbraw/zinc/24/70/74/609247074.db2.gz NIKIGCSPXOTUJM-INIZCTEOSA-N -1 3 390.491 3.595 20 0 GHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1N1CCOC1=O ZINC000826291656 609270983 /nfs/dbraw/zinc/27/09/83/609270983.db2.gz PKYIVYYUTCGMCW-GOSISDBHSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1N1CCOC1=O ZINC000826291656 609270984 /nfs/dbraw/zinc/27/09/84/609270984.db2.gz PKYIVYYUTCGMCW-GOSISDBHSA-N -1 3 390.447 3.621 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000825746534 609291589 /nfs/dbraw/zinc/29/15/89/609291589.db2.gz ZGZXGLRNQNMHFQ-JTQLQIEISA-N -1 3 390.900 3.681 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000825746534 609291591 /nfs/dbraw/zinc/29/15/91/609291591.db2.gz ZGZXGLRNQNMHFQ-JTQLQIEISA-N -1 3 390.900 3.681 20 0 GHADHM FC(F)Oc1ccc([C@@H](NCc2ccccc2-c2nnn[n-]2)C(F)(F)F)cc1 ZINC000826369507 609297900 /nfs/dbraw/zinc/29/79/00/609297900.db2.gz GABHLZDNOKHQMW-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccc([C@@H](NCc2ccccc2-c2nn[n-]n2)C(F)(F)F)cc1 ZINC000826369507 609297902 /nfs/dbraw/zinc/29/79/02/609297902.db2.gz GABHLZDNOKHQMW-CQSZACIVSA-N -1 3 399.323 3.861 20 0 GHADHM CCC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000825040129 609305581 /nfs/dbraw/zinc/30/55/81/609305581.db2.gz YUXGEMRGCCNXNT-UHFFFAOYSA-N -1 3 387.237 3.801 20 0 GHADHM CCC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000825040129 609305582 /nfs/dbraw/zinc/30/55/82/609305582.db2.gz YUXGEMRGCCNXNT-UHFFFAOYSA-N -1 3 387.237 3.801 20 0 GHADHM C[C@]1(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCCS1 ZINC000824824628 609329178 /nfs/dbraw/zinc/32/91/78/609329178.db2.gz WHYZUBWKWFVHTI-HXUWFJFHSA-N -1 3 395.488 3.675 20 0 GHADHM C[C@]1(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCCS1 ZINC000824824628 609329180 /nfs/dbraw/zinc/32/91/80/609329180.db2.gz WHYZUBWKWFVHTI-HXUWFJFHSA-N -1 3 395.488 3.675 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1ccc2c(c1)COC2 ZINC000826369514 609329408 /nfs/dbraw/zinc/32/94/08/609329408.db2.gz GHOZPOCGIKNSDZ-UHFFFAOYSA-N -1 3 390.415 3.932 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1ccc2c(c1)COC2 ZINC000826369514 609329409 /nfs/dbraw/zinc/32/94/09/609329409.db2.gz GHOZPOCGIKNSDZ-UHFFFAOYSA-N -1 3 390.415 3.932 20 0 GHADHM Cc1cc(C)nc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826265644 609331407 /nfs/dbraw/zinc/33/14/07/609331407.db2.gz HZNPVOSWQGHDLC-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(C)nc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826265644 609331409 /nfs/dbraw/zinc/33/14/09/609331409.db2.gz HZNPVOSWQGHDLC-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539270 609331493 /nfs/dbraw/zinc/33/14/93/609331493.db2.gz MKLQCMCOHZXIDZ-PXAZEXFGSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539270 609331495 /nfs/dbraw/zinc/33/14/95/609331495.db2.gz MKLQCMCOHZXIDZ-PXAZEXFGSA-N -1 3 380.452 3.903 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826180114 609336476 /nfs/dbraw/zinc/33/64/76/609336476.db2.gz SMBCLIYRQNXKCI-QWRGUYRKSA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826180114 609336478 /nfs/dbraw/zinc/33/64/78/609336478.db2.gz SMBCLIYRQNXKCI-QWRGUYRKSA-N -1 3 389.406 3.574 20 0 GHADHM CCCOc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825341836 609337262 /nfs/dbraw/zinc/33/72/62/609337262.db2.gz LEJSDFBPXLVEDE-UHFFFAOYSA-N -1 3 389.463 3.668 20 0 GHADHM CCCOc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825341836 609337264 /nfs/dbraw/zinc/33/72/64/609337264.db2.gz LEJSDFBPXLVEDE-UHFFFAOYSA-N -1 3 389.463 3.668 20 0 GHADHM CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825439670 609355524 /nfs/dbraw/zinc/35/55/24/609355524.db2.gz KALDSTQKOZBUAJ-UHFFFAOYSA-N -1 3 378.299 3.713 20 0 GHADHM CCN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825439670 609355525 /nfs/dbraw/zinc/35/55/25/609355525.db2.gz KALDSTQKOZBUAJ-UHFFFAOYSA-N -1 3 378.299 3.713 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1Br)[C@@H]1CCc2ccccc21 ZINC000825961865 609356361 /nfs/dbraw/zinc/35/63/61/609356361.db2.gz OABFPHMWIJJLLH-QGZVFWFLSA-N -1 3 384.281 3.749 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@@H]1F ZINC000824948377 609380372 /nfs/dbraw/zinc/38/03/72/609380372.db2.gz USFQFRGTZFJNBI-ACJLOTCBSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@@H]1F ZINC000824948377 609380374 /nfs/dbraw/zinc/38/03/74/609380374.db2.gz USFQFRGTZFJNBI-ACJLOTCBSA-N -1 3 396.426 3.871 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000824917883 609403259 /nfs/dbraw/zinc/40/32/59/609403259.db2.gz OOOVJJBWTRUUHF-XOBRGWDASA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000824917883 609403262 /nfs/dbraw/zinc/40/32/62/609403262.db2.gz OOOVJJBWTRUUHF-XOBRGWDASA-N -1 3 384.484 3.698 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)C2)C1 ZINC000824919720 609405274 /nfs/dbraw/zinc/40/52/74/609405274.db2.gz XLUWIBVPQLAWOD-ZMZPIMSZSA-N -1 3 392.410 3.512 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)C2)C1 ZINC000824919720 609405275 /nfs/dbraw/zinc/40/52/75/609405275.db2.gz XLUWIBVPQLAWOD-ZMZPIMSZSA-N -1 3 392.410 3.512 20 0 GHADHM Fc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826372888 609424802 /nfs/dbraw/zinc/42/48/02/609424802.db2.gz PUYOOFYYYFOACY-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826372888 609424804 /nfs/dbraw/zinc/42/48/04/609424804.db2.gz PUYOOFYYYFOACY-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM C[C@H](NC(=S)NC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824522119 609443713 /nfs/dbraw/zinc/44/37/13/609443713.db2.gz QIVQNNUSHPRVAR-ZDUSSCGKSA-N -1 3 380.521 3.857 20 0 GHADHM C[C@H](NC(=S)NC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522119 609443715 /nfs/dbraw/zinc/44/37/15/609443715.db2.gz QIVQNNUSHPRVAR-ZDUSSCGKSA-N -1 3 380.521 3.857 20 0 GHADHM CC(C)(C)c1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000824135331 609445249 /nfs/dbraw/zinc/44/52/49/609445249.db2.gz DINHQHCTLCAMQM-CQSZACIVSA-N -1 3 392.385 3.526 20 0 GHADHM CC(C)(C)c1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000824135331 609445251 /nfs/dbraw/zinc/44/52/51/609445251.db2.gz DINHQHCTLCAMQM-CQSZACIVSA-N -1 3 392.385 3.526 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826118079 609450781 /nfs/dbraw/zinc/45/07/81/609450781.db2.gz XIZSHFJIXGUSAI-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826118079 609450782 /nfs/dbraw/zinc/45/07/82/609450782.db2.gz XIZSHFJIXGUSAI-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CCCCCC1 ZINC000826420280 609453905 /nfs/dbraw/zinc/45/39/05/609453905.db2.gz GHGTZSDPKSONJS-UHFFFAOYSA-N -1 3 399.442 3.817 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CCCCCC1 ZINC000826420280 609453907 /nfs/dbraw/zinc/45/39/07/609453907.db2.gz GHGTZSDPKSONJS-UHFFFAOYSA-N -1 3 399.442 3.817 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c(C)c2)c1 ZINC000826298291 609457106 /nfs/dbraw/zinc/45/71/06/609457106.db2.gz MDRHPJNFXCWTAI-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c(C)c2)c1 ZINC000826298291 609457108 /nfs/dbraw/zinc/45/71/08/609457108.db2.gz MDRHPJNFXCWTAI-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000825632043 609476436 /nfs/dbraw/zinc/47/64/36/609476436.db2.gz JXZKCFUMJGYFOV-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000825632043 609476438 /nfs/dbraw/zinc/47/64/38/609476438.db2.gz JXZKCFUMJGYFOV-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnn(Cc2ccccc2)c1 ZINC000824324555 609478806 /nfs/dbraw/zinc/47/88/06/609478806.db2.gz PNUHJKBTSQZWNL-UHFFFAOYSA-N -1 3 389.463 3.511 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826290178 609479380 /nfs/dbraw/zinc/47/93/80/609479380.db2.gz DKJDDEFKPJFDHA-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826290178 609479382 /nfs/dbraw/zinc/47/93/82/609479382.db2.gz DKJDDEFKPJFDHA-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-c2ccncc2)cc1F ZINC000826186511 609481331 /nfs/dbraw/zinc/48/13/31/609481331.db2.gz WLEOSXBOWCGQSV-UHFFFAOYSA-N -1 3 376.395 3.689 20 0 GHADHM CCCn1cc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000825361618 609482600 /nfs/dbraw/zinc/48/26/00/609482600.db2.gz GHZATJQQLNRVJY-UHFFFAOYSA-N -1 3 389.463 3.664 20 0 GHADHM CCCn1cc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000825361618 609482603 /nfs/dbraw/zinc/48/26/03/609482603.db2.gz GHZATJQQLNRVJY-UHFFFAOYSA-N -1 3 389.463 3.664 20 0 GHADHM COc1sc(CNc2cccc(-c3nnn[n-]3)c2C)cc1Br ZINC000826222030 609485831 /nfs/dbraw/zinc/48/58/31/609485831.db2.gz FEHSCCNVHSQTJK-UHFFFAOYSA-N -1 3 380.271 3.620 20 0 GHADHM COc1sc(CNc2cccc(-c3nn[n-]n3)c2C)cc1Br ZINC000826222030 609485833 /nfs/dbraw/zinc/48/58/33/609485833.db2.gz FEHSCCNVHSQTJK-UHFFFAOYSA-N -1 3 380.271 3.620 20 0 GHADHM COC(=O)[C@@H](Sc1ccccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000826117416 609487999 /nfs/dbraw/zinc/48/79/99/609487999.db2.gz LJTDEQZLIMPNJI-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@@H](Sc1ccccc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000826117416 609488000 /nfs/dbraw/zinc/48/80/00/609488000.db2.gz LJTDEQZLIMPNJI-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM Cc1cc(C(=O)Nc2cccc3ccccc32)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260527 609505183 /nfs/dbraw/zinc/50/51/83/609505183.db2.gz SIBUSNURISBTKV-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM Cc1cc(C(=O)Nc2cccc3ccccc32)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260527 609505185 /nfs/dbraw/zinc/50/51/85/609505185.db2.gz SIBUSNURISBTKV-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1Cl ZINC000318083114 609505536 /nfs/dbraw/zinc/50/55/36/609505536.db2.gz XDDVZILOONSCOC-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1Cl ZINC000318083114 609505537 /nfs/dbraw/zinc/50/55/37/609505537.db2.gz XDDVZILOONSCOC-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826453603 609516147 /nfs/dbraw/zinc/51/61/47/609516147.db2.gz RBLJNFRIKLELCV-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826453603 609516150 /nfs/dbraw/zinc/51/61/50/609516150.db2.gz RBLJNFRIKLELCV-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM Cc1ccnc(N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1-c1nnn[n-]1 ZINC000826310499 609544597 /nfs/dbraw/zinc/54/45/97/609544597.db2.gz XWTUHVPVPYWSFL-UHFFFAOYSA-N -1 3 383.525 3.708 20 0 GHADHM Cc1ccnc(N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1-c1nn[n-]n1 ZINC000826310499 609544599 /nfs/dbraw/zinc/54/45/99/609544599.db2.gz XWTUHVPVPYWSFL-UHFFFAOYSA-N -1 3 383.525 3.708 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(C(F)F)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260506 609550616 /nfs/dbraw/zinc/55/06/16/609550616.db2.gz RETBPSKUWXXOBR-UHFFFAOYSA-N -1 3 395.373 3.551 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(C(F)F)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260506 609550619 /nfs/dbraw/zinc/55/06/19/609550619.db2.gz RETBPSKUWXXOBR-UHFFFAOYSA-N -1 3 395.373 3.551 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826239607 609551586 /nfs/dbraw/zinc/55/15/86/609551586.db2.gz LLLQPCFTZBPXBF-GFCCVEGCSA-N -1 3 399.669 3.676 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826239607 609551588 /nfs/dbraw/zinc/55/15/88/609551588.db2.gz LLLQPCFTZBPXBF-GFCCVEGCSA-N -1 3 399.669 3.676 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826402059 609607354 /nfs/dbraw/zinc/60/73/54/609607354.db2.gz MGLXMLGOMIOGSW-YVMONPNESA-N -1 3 391.765 3.773 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826402059 609607356 /nfs/dbraw/zinc/60/73/56/609607356.db2.gz MGLXMLGOMIOGSW-YVMONPNESA-N -1 3 391.765 3.773 20 0 GHADHM Fc1ccc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826374809 609608252 /nfs/dbraw/zinc/60/82/52/609608252.db2.gz NAORARAPWBCLAW-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1ccc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826374809 609608254 /nfs/dbraw/zinc/60/82/54/609608254.db2.gz NAORARAPWBCLAW-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826401324 609613435 /nfs/dbraw/zinc/61/34/35/609613435.db2.gz VMWAVIOZSXHJRC-KTKRTIGZSA-N -1 3 391.818 3.825 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826401324 609613436 /nfs/dbraw/zinc/61/34/36/609613436.db2.gz VMWAVIOZSXHJRC-KTKRTIGZSA-N -1 3 391.818 3.825 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826219241 609618812 /nfs/dbraw/zinc/61/88/12/609618812.db2.gz WONRMVYQADOOTF-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826219241 609618814 /nfs/dbraw/zinc/61/88/14/609618814.db2.gz WONRMVYQADOOTF-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM CCn1ccc(CN(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC000683501105 837411726 /nfs/dbraw/zinc/41/17/26/837411726.db2.gz KSDBLZOUKRIBJJ-UHFFFAOYSA-N -1 3 393.365 3.520 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3COc3cccnc3C)nc2)n1 ZINC000579936459 837515457 /nfs/dbraw/zinc/51/54/57/837515457.db2.gz VYDOHZRXUZCKQS-GOSISDBHSA-N -1 3 391.475 3.558 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187074981 837551925 /nfs/dbraw/zinc/55/19/25/837551925.db2.gz VLTFQPBUJUZUMZ-UHFFFAOYSA-N -1 3 388.464 3.624 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000530827150 837561386 /nfs/dbraw/zinc/56/13/86/837561386.db2.gz XMKMWKYWYGIRDY-FQEVSTJZSA-N -1 3 398.503 3.814 20 0 GHADHM O=C(Nc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl)c1ccco1 ZINC000187407792 837729021 /nfs/dbraw/zinc/72/90/21/837729021.db2.gz ZKJAHYWIVJSTHV-UHFFFAOYSA-N -1 3 381.779 3.709 20 0 GHADHM COC(=O)[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000414399763 837762029 /nfs/dbraw/zinc/76/20/29/837762029.db2.gz VZQXNDNFBFOTML-AWEZNQCLSA-N -1 3 377.462 3.551 20 0 GHADHM Cc1c(=O)[n-]cnc1NC[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000414132294 837768150 /nfs/dbraw/zinc/76/81/50/837768150.db2.gz AGNSOLKDLMOZSF-LJQANCHMSA-N -1 3 393.487 3.668 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCc2c1cccc2Br ZINC000158823675 834559427 /nfs/dbraw/zinc/55/94/27/834559427.db2.gz ZOCQCVQLWDYOPW-OAHLLOKOSA-N -1 3 379.229 3.781 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CC)c2)cc1 ZINC000301317022 834623978 /nfs/dbraw/zinc/62/39/78/834623978.db2.gz XPBOENGHZJMTTA-OAHLLOKOSA-N -1 3 390.505 3.723 20 0 GHADHM Cc1cccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1[O-] ZINC000170971655 834697244 /nfs/dbraw/zinc/69/72/44/834697244.db2.gz IQYBHRKCGDFJHA-UHFFFAOYSA-N -1 3 381.453 3.927 20 0 GHADHM CCN(Cc1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)=O ZINC000093948357 834711478 /nfs/dbraw/zinc/71/14/78/834711478.db2.gz WOTUBZYQYCGAMC-UHFFFAOYSA-N -1 3 382.460 3.726 20 0 GHADHM O=C(Nc1ccccc1Cn1cncn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094033791 834713364 /nfs/dbraw/zinc/71/33/64/834713364.db2.gz XRMJBVLDKJZRHP-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000510053140 834723153 /nfs/dbraw/zinc/72/31/53/834723153.db2.gz FFPKRXHRCSUCRT-NRFANRHFSA-N -1 3 386.373 3.749 20 0 GHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000536086460 834751556 /nfs/dbraw/zinc/75/15/56/834751556.db2.gz IDVUOAIVZMMKNX-VIFPVBQESA-N -1 3 378.302 3.995 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(Cl)c1F ZINC000146269779 834821639 /nfs/dbraw/zinc/82/16/39/834821639.db2.gz LFVCYYPETUTUOS-RDTXWAMCSA-N -1 3 383.872 3.925 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1csnc1-c1ccccc1 ZINC001211491821 834839651 /nfs/dbraw/zinc/83/96/51/834839651.db2.gz STJQRMIISFOAHC-CYBMUJFWSA-N -1 3 394.424 3.500 20 0 GHADHM COc1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000583681582 834861445 /nfs/dbraw/zinc/86/14/45/834861445.db2.gz YBSUJNIHMCRCNH-OAHLLOKOSA-N -1 3 383.275 3.740 20 0 GHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472325909 834893605 /nfs/dbraw/zinc/89/36/05/834893605.db2.gz KPHBRWIVKSWYSG-LBPRGKRZSA-N -1 3 393.436 3.635 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000683171399 834910805 /nfs/dbraw/zinc/91/08/05/834910805.db2.gz JOERHAHVOJSSRE-RTWAWAEBSA-N -1 3 385.460 3.559 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(Br)c1 ZINC000683172760 834915534 /nfs/dbraw/zinc/91/55/34/834915534.db2.gz CSILNXRSMRJCHC-CQSZACIVSA-N -1 3 386.192 3.966 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC001211624157 834976517 /nfs/dbraw/zinc/97/65/17/834976517.db2.gz BWIMTYVIQHUNBB-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@@H](O)c1ccccc1 ZINC000728594949 835052991 /nfs/dbraw/zinc/05/29/91/835052991.db2.gz WPKQCEIZPNDEIK-NQIIRXRSSA-N -1 3 392.459 3.791 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc(-c2cscn2)c1 ZINC000511305333 835133839 /nfs/dbraw/zinc/13/38/39/835133839.db2.gz YXTXUOVSVGZWPF-UHFFFAOYSA-N -1 3 399.273 3.895 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000890592277 835223949 /nfs/dbraw/zinc/22/39/49/835223949.db2.gz BQGHDFAADVFUPM-JTQLQIEISA-N -1 3 378.523 3.682 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCC1)c1c(Cl)cccc1Br ZINC000510101870 835237866 /nfs/dbraw/zinc/23/78/66/835237866.db2.gz LTIJDHQPADDBCI-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H](C)C1CCC1 ZINC000131736295 835252461 /nfs/dbraw/zinc/25/24/61/835252461.db2.gz GSSIFSQHMBQPGQ-CQSZACIVSA-N -1 3 390.480 3.853 20 0 GHADHM CCc1cccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1[O-] ZINC000093924043 835346886 /nfs/dbraw/zinc/34/68/86/835346886.db2.gz KKNHFQOWJUPIJC-UHFFFAOYSA-N -1 3 378.472 3.652 20 0 GHADHM CC(C)(C)c1cc(NC(=O)NCc2ncccc2[O-])n(-c2ccc(F)cc2)n1 ZINC000471167824 835348113 /nfs/dbraw/zinc/34/81/13/835348113.db2.gz DLPYMGVBCKMZKR-UHFFFAOYSA-N -1 3 383.427 3.731 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000109182187 835442737 /nfs/dbraw/zinc/44/27/37/835442737.db2.gz HOQYNGTUAHNVPZ-INIZCTEOSA-N -1 3 390.505 3.940 20 0 GHADHM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000728582494 835471424 /nfs/dbraw/zinc/47/14/24/835471424.db2.gz OOICQAPAGAGEKB-NSHDSACASA-N -1 3 377.359 3.590 20 0 GHADHM O=C(Nc1ccc(N2CCCCCC2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065770872 835500581 /nfs/dbraw/zinc/50/05/81/835500581.db2.gz LIHJQZGNVKOEAX-UHFFFAOYSA-N -1 3 378.432 3.595 20 0 GHADHM O=C(CCCOCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151565623 835539611 /nfs/dbraw/zinc/53/96/11/835539611.db2.gz ZJTYWJSBRWYYSQ-UHFFFAOYSA-N -1 3 378.266 3.768 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc(Br)c1 ZINC000151572841 835543558 /nfs/dbraw/zinc/54/35/58/835543558.db2.gz YAGSUBIKGVCWJG-UHFFFAOYSA-N -1 3 391.084 3.909 20 0 GHADHM CCOCCOc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151575142 835551305 /nfs/dbraw/zinc/55/13/05/835551305.db2.gz JSHOTADWBZPOMN-UHFFFAOYSA-N -1 3 394.265 3.500 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151586799 835560088 /nfs/dbraw/zinc/56/00/88/835560088.db2.gz YJXVJTKBHSYDMK-LLVKDONJSA-N -1 3 396.306 3.960 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C3CC3)cc2)cc1 ZINC000134465395 835744548 /nfs/dbraw/zinc/74/45/48/835744548.db2.gz SWOYBESIGPKOKA-UHFFFAOYSA-N -1 3 386.517 3.951 20 0 GHADHM Cc1cccc(OCCN(C)Cc2cc(Br)ccc2C(=O)[O-])c1 ZINC000584237249 835787116 /nfs/dbraw/zinc/78/71/16/835787116.db2.gz QVLWTOUVDVTMLM-UHFFFAOYSA-N -1 3 378.266 3.967 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000683261686 835791780 /nfs/dbraw/zinc/79/17/80/835791780.db2.gz CEDZSWBWFFNLRF-MRVPVSSYSA-N -1 3 383.673 3.720 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1OC ZINC000431635753 835931159 /nfs/dbraw/zinc/93/11/59/835931159.db2.gz RVRKLTJBCGWDFP-HNNXBMFYSA-N -1 3 391.823 3.642 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1OC ZINC000065658730 835936823 /nfs/dbraw/zinc/93/68/23/835936823.db2.gz KIUUZQNEKGXMPF-IZZDOVSWSA-N -1 3 394.880 3.762 20 0 GHADHM Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000023988205 836032600 /nfs/dbraw/zinc/03/26/00/836032600.db2.gz DWBCCASQMYUEPZ-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180056406 836048485 /nfs/dbraw/zinc/04/84/85/836048485.db2.gz OANSMCVSAQWWHP-ZDUSSCGKSA-N -1 3 378.394 3.546 20 0 GHADHM C[C@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@H]1c1ccccc1 ZINC000429970026 844121828 /nfs/dbraw/zinc/12/18/28/844121828.db2.gz AZKXSDMXIWXATL-YVEFUNNKSA-N -1 3 385.265 3.744 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000038630744 836079080 /nfs/dbraw/zinc/07/90/80/836079080.db2.gz GPVIHJMNCKFTPQ-GFCCVEGCSA-N -1 3 379.334 3.636 20 0 GHADHM CCOC(=O)C(C)(C)C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000510161600 836176764 /nfs/dbraw/zinc/17/67/64/836176764.db2.gz WJQPFBQONRRFRC-UHFFFAOYSA-N -1 3 397.475 3.883 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000180756910 836268918 /nfs/dbraw/zinc/26/89/18/836268918.db2.gz QRYYSCUSFCTSMB-OAHLLOKOSA-N -1 3 393.333 3.749 20 0 GHADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1 ZINC000066578780 836330479 /nfs/dbraw/zinc/33/04/79/836330479.db2.gz ZRKIWNBVMMMUGK-VAWYXSNFSA-N -1 3 385.894 3.546 20 0 GHADHM CSc1cc(Br)ccc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000628375072 836431767 /nfs/dbraw/zinc/43/17/67/836431767.db2.gz XSXUURJKOBJQQC-UHFFFAOYSA-N -1 3 382.327 4.000 20 0 GHADHM Cc1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nc(C(F)(F)F)n1 ZINC000187710010 836436033 /nfs/dbraw/zinc/43/60/33/836436033.db2.gz LQYOASPDCBHLRF-UHFFFAOYSA-N -1 3 397.357 3.638 20 0 GHADHM O=C1[N-][C@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1c(F)c(F)cc(F)c1F ZINC000683327562 836463270 /nfs/dbraw/zinc/46/32/70/836463270.db2.gz HWCQKQMMNSFJBO-CQSZACIVSA-N -1 3 390.695 3.829 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000174612339 836491881 /nfs/dbraw/zinc/49/18/81/836491881.db2.gz XOYCLPXGIUAIJE-UHFFFAOYSA-N -1 3 389.455 3.538 20 0 GHADHM Cc1csc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3CCN(C)C4)cc2)n1 ZINC000655559034 836512513 /nfs/dbraw/zinc/51/25/13/836512513.db2.gz AQBHMHVLNCKJAX-UHFFFAOYSA-N -1 3 399.541 3.907 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000174679474 836524870 /nfs/dbraw/zinc/52/48/70/836524870.db2.gz QOGCOHWXIPQZND-MRXNPFEDSA-N -1 3 392.377 3.740 20 0 GHADHM Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2Cc1ccc(Cl)cc1C(=O)[O-] ZINC001279109234 836553633 /nfs/dbraw/zinc/55/36/33/836553633.db2.gz AKWMNBCQJCKNPI-IRXDYDNUSA-N -1 3 391.924 3.652 20 0 GHADHM COc1ccc(CCC(=O)N[N-]C(=O)c2sccc2-c2ccc(F)cc2)cc1 ZINC000066051044 836646054 /nfs/dbraw/zinc/64/60/54/836646054.db2.gz BMTLLYRTXGFUPO-UHFFFAOYSA-N -1 3 398.459 3.957 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1c(C)noc1C ZINC000119322315 836834377 /nfs/dbraw/zinc/83/43/77/836834377.db2.gz METFZUJWWIVEDK-LBPRGKRZSA-N -1 3 380.363 3.879 20 0 GHADHM O=C([N-]N1Cc2ccc(Br)cc2C1=O)c1ccc(F)cc1Cl ZINC001167247360 837030430 /nfs/dbraw/zinc/03/04/30/837030430.db2.gz XVESZCXRZIWHHX-UHFFFAOYSA-N -1 3 383.604 3.542 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)NC(=O)NCc3ccc([O-])c(F)c3)n2)cc1F ZINC000472492585 837143848 /nfs/dbraw/zinc/14/38/48/837143848.db2.gz BZOWCSYMKLDXAV-NSHDSACASA-N -1 3 388.374 3.589 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000471303702 837153450 /nfs/dbraw/zinc/15/34/50/837153450.db2.gz JFHNMUVNQZSHFW-UHFFFAOYSA-N -1 3 387.436 3.599 20 0 GHADHM CCCn1cc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)ccc1=O ZINC000162226052 837246505 /nfs/dbraw/zinc/24/65/05/837246505.db2.gz HACLVGHLZHLWMG-UHFFFAOYSA-N -1 3 395.531 3.553 20 0 GHADHM O=C([N-]CCCN1CCC[C@H]1c1cccc(Br)c1)C(F)(F)F ZINC000180570047 837357220 /nfs/dbraw/zinc/35/72/20/837357220.db2.gz PFTGHXUSKZECGF-ZDUSSCGKSA-N -1 3 379.220 3.655 20 0 GHADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccs1 ZINC000549316222 837835309 /nfs/dbraw/zinc/83/53/09/837835309.db2.gz QBFULQOWZVTXRT-SNVBAGLBSA-N -1 3 381.445 3.566 20 0 GHADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000187682635 837890864 /nfs/dbraw/zinc/89/08/64/837890864.db2.gz XQILXQQRPZRCHZ-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000121554748 838016482 /nfs/dbraw/zinc/01/64/82/838016482.db2.gz SFSHQSKEMHYHDR-CQSZACIVSA-N -1 3 382.460 3.834 20 0 GHADHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000377904949 838138963 /nfs/dbraw/zinc/13/89/63/838138963.db2.gz QMTGVUPEAZZTSC-IBGZPJMESA-N -1 3 378.900 3.689 20 0 GHADHM O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1ccncc1[O-] ZINC000109890862 838158417 /nfs/dbraw/zinc/15/84/17/838158417.db2.gz OAQPYDQNLCXKML-UHFFFAOYSA-N -1 3 396.291 3.916 20 0 GHADHM CC(C)CNC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000725882501 838178350 /nfs/dbraw/zinc/17/83/50/838178350.db2.gz VWKUGTRHVQXACW-UHFFFAOYSA-N -1 3 394.515 3.607 20 0 GHADHM O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc([O-])cc(F)c2)N1 ZINC000471460323 838249270 /nfs/dbraw/zinc/24/92/70/838249270.db2.gz UBBRKXLVJDPOEP-HSZRJFAPSA-N -1 3 392.430 3.741 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460836693 838305619 /nfs/dbraw/zinc/30/56/19/838305619.db2.gz RGPOIVFORJHVKU-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000558477086 838374361 /nfs/dbraw/zinc/37/43/61/838374361.db2.gz NDKBNPMBIGCBAH-HNNXBMFYSA-N -1 3 384.867 3.733 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1 ZINC000683733097 838479737 /nfs/dbraw/zinc/47/97/37/838479737.db2.gz DLKNPNGZAWGFEJ-UHFFFAOYSA-N -1 3 391.493 3.644 20 0 GHADHM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c[nH]1 ZINC000179933165 838556363 /nfs/dbraw/zinc/55/63/63/838556363.db2.gz LWEIPGQVGGABPU-UHFFFAOYSA-N -1 3 377.425 3.918 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000416164563 838649607 /nfs/dbraw/zinc/64/96/07/838649607.db2.gz AAIKQRAHPWOAFT-UHFFFAOYSA-N -1 3 389.477 3.715 20 0 GHADHM C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659796679 838678872 /nfs/dbraw/zinc/67/88/72/838678872.db2.gz IZECWHPKZKCWGV-KYNGSXCRSA-N -1 3 396.878 3.782 20 0 GHADHM C[C@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000430478679 838692858 /nfs/dbraw/zinc/69/28/58/838692858.db2.gz UXFMMTRMRBQUAD-GOEBONIOSA-N -1 3 390.480 3.887 20 0 GHADHM CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000182482697 838728746 /nfs/dbraw/zinc/72/87/46/838728746.db2.gz NQQXGYREPIKQBZ-ZWKOTPCHSA-N -1 3 388.414 3.543 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)cc(OC)c1[O-] ZINC000416262870 838848773 /nfs/dbraw/zinc/84/87/73/838848773.db2.gz XFXJEBCWCWSQHW-HNNXBMFYSA-N -1 3 377.387 3.535 20 0 GHADHM CC(C)(C(=O)N1CCCc2c(=O)[n-]cnc21)c1csc(-c2ccccc2F)n1 ZINC000893204872 838870512 /nfs/dbraw/zinc/87/05/12/838870512.db2.gz PDVRPRUKULAMAK-UHFFFAOYSA-N -1 3 398.463 3.702 20 0 GHADHM CC1(C)CC[C@H](c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)c2ccccc21 ZINC000643128571 839007158 /nfs/dbraw/zinc/00/71/58/839007158.db2.gz HMGOUVBJQLZMRS-INIZCTEOSA-N -1 3 398.488 3.706 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cn1C ZINC000416368001 839075414 /nfs/dbraw/zinc/07/54/14/839075414.db2.gz GJUKIXXPLDCGMW-CYBMUJFWSA-N -1 3 375.416 3.516 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(C)cc2Cl)o1 ZINC000182712721 839138600 /nfs/dbraw/zinc/13/86/00/839138600.db2.gz ZEBMJDGQRFBUBX-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM C[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000431871807 839166032 /nfs/dbraw/zinc/16/60/32/839166032.db2.gz RNOBTXOKOFRQBX-GFCCVEGCSA-N -1 3 389.249 3.680 20 0 GHADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000416535912 839373852 /nfs/dbraw/zinc/37/38/52/839373852.db2.gz KMPUIPSFNHHKQK-LBPRGKRZSA-N -1 3 390.402 3.929 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)Cc2ccc(C)cc2)c2ccc(Cl)cc2)no1 ZINC000377383458 839416318 /nfs/dbraw/zinc/41/63/18/839416318.db2.gz ILTNFNFAEQEDKA-QGZVFWFLSA-N -1 3 391.880 3.549 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000548091239 839493205 /nfs/dbraw/zinc/49/32/05/839493205.db2.gz ZLALABGTKLDEHF-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM O=c1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)nc(C2CC2)[n-]1 ZINC000584575583 839496903 /nfs/dbraw/zinc/49/69/03/839496903.db2.gz JCEGMYAUQOHLOU-MRXNPFEDSA-N -1 3 395.381 3.532 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)[C@@H]1CC1(C)C ZINC000416654275 839510570 /nfs/dbraw/zinc/51/05/70/839510570.db2.gz UUVAPWXTEAHOKK-GXFFZTMASA-N -1 3 376.881 3.541 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000580433788 839553230 /nfs/dbraw/zinc/55/32/30/839553230.db2.gz WPDXRAFYIKRRQV-IBGZPJMESA-N -1 3 382.460 3.731 20 0 GHADHM COC[C@H](Cc1ccccc1)N(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000580574582 839825682 /nfs/dbraw/zinc/82/56/82/839825682.db2.gz BIMPEPFGTYIINW-SFHVURJKSA-N -1 3 380.444 3.729 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2[nH]1 ZINC000175957208 840047473 /nfs/dbraw/zinc/04/74/73/840047473.db2.gz ADPGUADARJWLAK-UHFFFAOYSA-N -1 3 379.536 3.731 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000431909752 840293040 /nfs/dbraw/zinc/29/30/40/840293040.db2.gz RRTNRZUQZSFIJL-CQSZACIVSA-N -1 3 376.250 3.510 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000364439946 840324647 /nfs/dbraw/zinc/32/46/47/840324647.db2.gz NLYGVKJXJWZAGX-GFCCVEGCSA-N -1 3 377.853 3.571 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000364439947 840324946 /nfs/dbraw/zinc/32/49/46/840324946.db2.gz NLYGVKJXJWZAGX-LBPRGKRZSA-N -1 3 377.853 3.571 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000433516764 844528715 /nfs/dbraw/zinc/52/87/15/844528715.db2.gz OIEGWDWXPRQGKG-VQTJNVASSA-N -1 3 375.490 3.732 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000641719369 840411344 /nfs/dbraw/zinc/41/13/44/840411344.db2.gz QXAIMMQAFWRONF-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000641719369 840411349 /nfs/dbraw/zinc/41/13/49/840411349.db2.gz QXAIMMQAFWRONF-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2ccc(C)cc2F)c(F)c1F ZINC000580931981 840456947 /nfs/dbraw/zinc/45/69/47/840456947.db2.gz BHKBNKYBLSYAKU-UHFFFAOYSA-N -1 3 375.343 3.696 20 0 GHADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000584689342 840559118 /nfs/dbraw/zinc/55/91/18/840559118.db2.gz JDNREZGACGPGHJ-UHFFFAOYSA-N -1 3 388.880 3.974 20 0 GHADHM CSCC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nnc2ccccn21 ZINC000471636530 840570205 /nfs/dbraw/zinc/57/02/05/840570205.db2.gz NONRAYRSWHMXDJ-QGZVFWFLSA-N -1 3 392.484 3.812 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N3CC[C@](C(=O)[O-])(c4ccccc4)C3)n2)cc1F ZINC000581077303 840677037 /nfs/dbraw/zinc/67/70/37/840677037.db2.gz KTAMQRYCOUXSEK-OYHNWAKOSA-N -1 3 395.434 3.973 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc2c(c1)CCC2 ZINC000581157334 840804548 /nfs/dbraw/zinc/80/45/48/840804548.db2.gz GWCXPGLMWGZNEB-LEWJYISDSA-N -1 3 387.501 3.658 20 0 GHADHM CCOc1cccc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610485982 840859256 /nfs/dbraw/zinc/85/92/56/840859256.db2.gz JZVQKBYREWBOTE-UHFFFAOYSA-N -1 3 383.185 3.648 20 0 GHADHM O=[S@@](Cc1ccccc1)Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000156055201 840888511 /nfs/dbraw/zinc/88/85/11/840888511.db2.gz ZLHANOSTKOKCJF-UZTOHYMASA-N -1 3 388.489 3.715 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000156055201 840888519 /nfs/dbraw/zinc/88/85/19/840888519.db2.gz ZLHANOSTKOKCJF-UZTOHYMASA-N -1 3 388.489 3.715 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cncc2ccccc21 ZINC000610490894 840971982 /nfs/dbraw/zinc/97/19/82/840971982.db2.gz LOMIUCFKMHXQGA-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM COc1ccccc1CCC(=O)Nc1cc(I)ccc1[O-] ZINC000610490541 840982988 /nfs/dbraw/zinc/98/29/88/840982988.db2.gz CHPYGWRTLLUOCM-UHFFFAOYSA-N -1 3 397.212 3.577 20 0 GHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1F ZINC000417554430 840998079 /nfs/dbraw/zinc/99/80/79/840998079.db2.gz JIVRNFFNANUFGE-INIZCTEOSA-N -1 3 377.412 3.547 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1Cl)N[N-]C(=O)c1ccccc1F ZINC000026691047 841005837 /nfs/dbraw/zinc/00/58/37/841005837.db2.gz PTQPKSABJUQMOW-UHFFFAOYSA-N -1 3 398.821 3.986 20 0 GHADHM O=C([O-])CC[C@@H]1CCCC[C@@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000417628213 841067507 /nfs/dbraw/zinc/06/75/07/841067507.db2.gz OZRMWCCOPUKANR-LRDDRELGSA-N -1 3 380.851 3.573 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H](NCc2cc(Br)cc3c2OCC3)c2ccccc21 ZINC000417627576 841078720 /nfs/dbraw/zinc/07/87/20/841078720.db2.gz OLMIMYAAYYKPRS-IAGOWNOFSA-N -1 3 388.261 3.787 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC000417641546 841093536 /nfs/dbraw/zinc/09/35/36/841093536.db2.gz QQWRHRDYQDQAAU-HXUWFJFHSA-N -1 3 379.460 3.618 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000417641545 841093713 /nfs/dbraw/zinc/09/37/13/841093713.db2.gz QQWRHRDYQDQAAU-FQEVSTJZSA-N -1 3 379.460 3.618 20 0 GHADHM Cc1cccnc1C(C)(C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000584871683 841140587 /nfs/dbraw/zinc/14/05/87/841140587.db2.gz NEARMEFCPKYYPB-UHFFFAOYSA-N -1 3 392.297 3.635 20 0 GHADHM CC1=CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000430585592 841256712 /nfs/dbraw/zinc/25/67/12/841256712.db2.gz QYBMOVSHNWFEQD-UHFFFAOYSA-N -1 3 381.657 3.736 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC000277108361 844626609 /nfs/dbraw/zinc/62/66/09/844626609.db2.gz AEWNUWSPEIKEKW-QGZVFWFLSA-N -1 3 383.872 3.964 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000510416641 841284575 /nfs/dbraw/zinc/28/45/75/841284575.db2.gz SWIHFLBNHPLUPJ-HUUCEWRRSA-N -1 3 388.411 3.925 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4nc(Cl)ccc4c3)nc21 ZINC000162538303 841322660 /nfs/dbraw/zinc/32/26/60/841322660.db2.gz ONZJXQOWYKRCTO-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H]1C ZINC000430601852 841376021 /nfs/dbraw/zinc/37/60/21/841376021.db2.gz VCJOCFAWHVKTQF-RKDXNWHRSA-N -1 3 383.673 3.815 20 0 GHADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000481370718 861198288 /nfs/dbraw/zinc/19/82/88/861198288.db2.gz LYZAIMVLBVUJJP-QWRGUYRKSA-N -1 3 384.386 3.772 20 0 GHADHM COCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000123495857 841471115 /nfs/dbraw/zinc/47/11/15/841471115.db2.gz IXMLGVCBDQWJMU-UHFFFAOYSA-N -1 3 394.468 3.690 20 0 GHADHM Cc1ccccc1-c1cc(NC(=O)c2cc([O-])c3ccccc3c2)n(CCO)n1 ZINC000684272091 841499303 /nfs/dbraw/zinc/49/93/03/841499303.db2.gz HTNBIZNTZUAHAX-UHFFFAOYSA-N -1 3 387.439 3.962 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OC(F)F)cc3)c2)n1 ZINC000049303618 841502252 /nfs/dbraw/zinc/50/22/52/841502252.db2.gz RXOYCXTZTFZQNX-UHFFFAOYSA-N -1 3 399.397 3.782 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC(F)F)cc3)c2)n1 ZINC000049302619 841506636 /nfs/dbraw/zinc/50/66/36/841506636.db2.gz NLWHDCIAAWTKKW-UHFFFAOYSA-N -1 3 385.370 3.853 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c(=O)[n-]1 ZINC000364263492 841532222 /nfs/dbraw/zinc/53/22/22/841532222.db2.gz YYLJGMYLKNWQCT-UHFFFAOYSA-N -1 3 387.430 3.716 20 0 GHADHM CC(C)C1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000184154663 841853761 /nfs/dbraw/zinc/85/37/61/841853761.db2.gz NADBZTBANIXRGQ-HXUWFJFHSA-N -1 3 380.488 3.806 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3cc(F)ccc3Cl)cccc21 ZINC000656733394 841854822 /nfs/dbraw/zinc/85/48/22/841854822.db2.gz HYHBAOAETQSLQG-KRWDZBQOSA-N -1 3 398.887 3.806 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(F)c1Br)C1CCCC1 ZINC000656734612 841855918 /nfs/dbraw/zinc/85/59/18/841855918.db2.gz MITIFVCFUYKQGW-CYBMUJFWSA-N -1 3 394.306 3.844 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000581650574 841883151 /nfs/dbraw/zinc/88/31/51/841883151.db2.gz JRPOGXMCMXGSOT-UHFFFAOYSA-N -1 3 395.410 3.643 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1sccc1Br)c1c(C)noc1C ZINC000119333903 841905569 /nfs/dbraw/zinc/90/55/69/841905569.db2.gz QRACWKJLLDTOBD-JTQLQIEISA-N -1 3 379.301 3.545 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCCC[C@@H]12 ZINC000656769125 841907402 /nfs/dbraw/zinc/90/74/02/841907402.db2.gz YRABIONCGYDDIP-ARFHVFGLSA-N -1 3 375.856 3.855 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)ccc1F ZINC000157903415 842067955 /nfs/dbraw/zinc/06/79/55/842067955.db2.gz SLXAWEWHSYRFQA-UHFFFAOYSA-N -1 3 380.441 3.681 20 0 GHADHM CCc1cc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n(C)n1 ZINC000430655817 842160307 /nfs/dbraw/zinc/16/03/07/842160307.db2.gz VHSZSYNNZIGPOS-UHFFFAOYSA-N -1 3 388.427 3.869 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000157944257 842225964 /nfs/dbraw/zinc/22/59/64/842225964.db2.gz LERJRLDIPADUEC-UHFFFAOYSA-N -1 3 393.852 3.994 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000127309883 842231035 /nfs/dbraw/zinc/23/10/35/842231035.db2.gz UFLKVKKSWJJPJF-UHFFFAOYSA-N -1 3 398.500 3.623 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1c(Cl)cccc1Br ZINC000891615744 842440262 /nfs/dbraw/zinc/44/02/62/842440262.db2.gz SWURWVZEKZAIDF-UHFFFAOYSA-N -1 3 382.645 3.729 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000467801790 842580658 /nfs/dbraw/zinc/58/06/58/842580658.db2.gz WQYGWCUCRSQBPP-FUHWJXTLSA-N -1 3 383.872 3.986 20 0 GHADHM O=C([O-])[C@@H]1c2ccccc2CCN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000652486136 842617683 /nfs/dbraw/zinc/61/76/83/842617683.db2.gz GYCNKOSIJMNZMG-IBGZPJMESA-N -1 3 387.863 3.728 20 0 GHADHM O=C([N-]NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 ZINC000027683183 842628454 /nfs/dbraw/zinc/62/84/54/842628454.db2.gz CGKGDWAWLCECGZ-UHFFFAOYSA-N -1 3 381.435 3.828 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1ccc(Cl)cc1F ZINC000008457487 842691389 /nfs/dbraw/zinc/69/13/89/842691389.db2.gz GEDZGIXFEKYZDI-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM Cc1cc(Br)ccc1CN[C@]1(C(=O)[O-])CCc2c1cccc2F ZINC000581949843 842797145 /nfs/dbraw/zinc/79/71/45/842797145.db2.gz WNUOAIOEPYWCQE-GOSISDBHSA-N -1 3 378.241 3.913 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1C(C)C ZINC000663256183 842922915 /nfs/dbraw/zinc/92/29/15/842922915.db2.gz GSZJWIREYQXMQU-UHFFFAOYSA-N -1 3 394.468 3.638 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1ccc(Br)cc1F ZINC000391222461 842952243 /nfs/dbraw/zinc/95/22/43/842952243.db2.gz LNTOWPWJEQUSJB-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H](CC(F)(F)F)O1 ZINC000662233642 842987167 /nfs/dbraw/zinc/98/71/67/842987167.db2.gz FKYAGANKOXGTPW-GHMZBOCLSA-N -1 3 381.354 3.623 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1C ZINC000467084459 842988613 /nfs/dbraw/zinc/98/86/13/842988613.db2.gz XZLKSOHNHFCUOA-UHFFFAOYSA-N -1 3 393.505 3.666 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3C)n2)cc1F ZINC000471867789 843037366 /nfs/dbraw/zinc/03/73/66/843037366.db2.gz CCFVEUSURUDDPP-CQSZACIVSA-N -1 3 389.452 3.673 20 0 GHADHM Cc1sc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)nc1C(C)C ZINC000617244986 843039639 /nfs/dbraw/zinc/03/96/39/843039639.db2.gz SPNANRUTYRJYFK-UHFFFAOYSA-N -1 3 399.563 3.673 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)c(Cl)c2)c(C)c1 ZINC000062106635 843082175 /nfs/dbraw/zinc/08/21/75/843082175.db2.gz YUABQFSUEGFCEV-UHFFFAOYSA-N -1 3 394.924 3.590 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)cc1 ZINC000471875411 843155916 /nfs/dbraw/zinc/15/59/16/843155916.db2.gz JSMKERIFELKRRT-CQSZACIVSA-N -1 3 377.510 3.860 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000625274231 861392162 /nfs/dbraw/zinc/39/21/62/861392162.db2.gz GYQQUCSXYXAVCB-LBPRGKRZSA-N -1 3 380.901 3.721 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000091815267 843422825 /nfs/dbraw/zinc/42/28/25/843422825.db2.gz MBXWNGSZHVGRPP-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnn(-c2ccncc2)c1C(F)F ZINC000429112629 861415329 /nfs/dbraw/zinc/41/53/29/861415329.db2.gz HTYHVALPKIFXIG-UHFFFAOYSA-N -1 3 396.357 3.553 20 0 GHADHM CCCCc1nc2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2[nH]1 ZINC000176134303 843563087 /nfs/dbraw/zinc/56/30/87/843563087.db2.gz GPEJFSZPFLKWAJ-UHFFFAOYSA-N -1 3 379.536 3.777 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1C ZINC000279914065 843619015 /nfs/dbraw/zinc/61/90/15/843619015.db2.gz SGDXLAKZQDSWOH-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(F)c(Br)c1 ZINC000431146757 843697659 /nfs/dbraw/zinc/69/76/59/843697659.db2.gz SCFLOXPMYOBAKS-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1C(C)C ZINC000432766283 843743711 /nfs/dbraw/zinc/74/37/11/843743711.db2.gz GGBXFGYDINSWKH-XMMPIXPASA-N -1 3 381.519 3.665 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1Cl ZINC000432768776 843759016 /nfs/dbraw/zinc/75/90/16/843759016.db2.gz MTEFSZKUQGZAQL-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432774681 843785723 /nfs/dbraw/zinc/78/57/23/843785723.db2.gz QGPOMMOWROQSJQ-UHFFFAOYSA-N -1 3 391.493 3.679 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000500683883 843826371 /nfs/dbraw/zinc/82/63/71/843826371.db2.gz OCTNYNXKHCEBOM-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000500683883 843826380 /nfs/dbraw/zinc/82/63/80/843826380.db2.gz OCTNYNXKHCEBOM-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM COc1cccc([C@@H](C)C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000512843738 843867154 /nfs/dbraw/zinc/86/71/54/843867154.db2.gz DXWXMCPPASRVLA-GFCCVEGCSA-N -1 3 385.851 3.911 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)n2cnc3ccccc32)[nH][n-]1 ZINC000512849371 843883138 /nfs/dbraw/zinc/88/31/38/843883138.db2.gz NRMUVSJGURHDDK-LBPRGKRZSA-N -1 3 395.850 3.710 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000180995896 844678563 /nfs/dbraw/zinc/67/85/63/844678563.db2.gz NBGLEZCHYNPGOG-UHFFFAOYSA-N -1 3 380.187 3.913 20 0 GHADHM COC(=O)Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000610859043 844703200 /nfs/dbraw/zinc/70/32/00/844703200.db2.gz MXWKUJIDHGFFSK-UHFFFAOYSA-N -1 3 384.413 3.609 20 0 GHADHM CC[C@H]1CCCC[C@H]1OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000729082653 844713182 /nfs/dbraw/zinc/71/31/82/844713182.db2.gz XZHMXXTZKTXPDS-MAUKXSAKSA-N -1 3 383.510 3.728 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])ccc1Cl ZINC000500868989 844716083 /nfs/dbraw/zinc/71/60/83/844716083.db2.gz QUHWVEAYHDAZKL-MRXNPFEDSA-N -1 3 382.243 3.603 20 0 GHADHM O=S(=O)(C=Cc1cccc(Cl)c1)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000588481497 844912552 /nfs/dbraw/zinc/91/25/52/844912552.db2.gz QCIMKHLUMKYKKD-SREVYHEPSA-N -1 3 377.775 3.671 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4ccsc4)ns3)c[n-]c12 ZINC000151032478 845135530 /nfs/dbraw/zinc/13/55/30/845135530.db2.gz XJVCTDXIEQTSJQ-UHFFFAOYSA-N -1 3 386.433 3.808 20 0 GHADHM COCCC1(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCCC1 ZINC000473473501 845208187 /nfs/dbraw/zinc/20/81/87/845208187.db2.gz WAWHUFZXVPKURY-UHFFFAOYSA-N -1 3 377.872 3.696 20 0 GHADHM CN(C)Cc1cc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)ccc1F ZINC000350045692 861558828 /nfs/dbraw/zinc/55/88/28/861558828.db2.gz HGWBAWDUFNZDPY-UHFFFAOYSA-N -1 3 391.406 3.558 20 0 GHADHM CN(C)Cc1cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)ccc1F ZINC000350045692 861558841 /nfs/dbraw/zinc/55/88/41/861558841.db2.gz HGWBAWDUFNZDPY-UHFFFAOYSA-N -1 3 391.406 3.558 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1cc(Cl)ccc1Br ZINC000684656711 845428512 /nfs/dbraw/zinc/42/85/12/845428512.db2.gz OIXSXIHJPVFNAE-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM CCCc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C(C)C)cc1 ZINC000433951228 845650932 /nfs/dbraw/zinc/65/09/32/845650932.db2.gz RUFHXTWPFACFRM-IBGZPJMESA-N -1 3 392.521 3.576 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccc(N3CCCC3)cn2)no1 ZINC000576868249 845719002 /nfs/dbraw/zinc/71/90/02/845719002.db2.gz XXRXSEHPXLKBQA-UHFFFAOYSA-N -1 3 387.802 3.777 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000472108177 845911978 /nfs/dbraw/zinc/91/19/78/845911978.db2.gz LZBCJNRNMDRXQT-CABCVRRESA-N -1 3 379.382 3.942 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)CC23CCC(CC2)C3)c2ccc(Cl)cc2)no1 ZINC000329557663 861652215 /nfs/dbraw/zinc/65/22/15/861652215.db2.gz BYJULPZLXUQFKX-CRPOECCBSA-N -1 3 395.912 3.621 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1C ZINC000280069186 846288741 /nfs/dbraw/zinc/28/87/41/846288741.db2.gz ZZLBMBBTTQWAFC-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM O=C([O-])CN(CCc1ccccc1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000582099164 846353660 /nfs/dbraw/zinc/35/36/60/846353660.db2.gz MDCKWZOKODKKNJ-UHFFFAOYSA-N -1 3 378.259 3.770 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@]4(CCSC4)C3)cc2)cc(=O)[n-]1 ZINC000582104853 846368109 /nfs/dbraw/zinc/36/81/09/846368109.db2.gz CPOCXHJQZRHSIZ-HXUWFJFHSA-N -1 3 384.505 3.909 20 0 GHADHM CCCCOc1ncccc1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000068692442 846377563 /nfs/dbraw/zinc/37/75/63/846377563.db2.gz PYRISCYSCGUBAT-UHFFFAOYSA-N -1 3 379.464 3.580 20 0 GHADHM CCC[C@H]1CCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678860 846480611 /nfs/dbraw/zinc/48/06/11/846480611.db2.gz FAGCPIFSSRTAPA-VHSXEESVSA-N -1 3 382.224 3.785 20 0 GHADHM CC(C)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccs1 ZINC000421679950 846481664 /nfs/dbraw/zinc/48/16/64/846481664.db2.gz AJDYSDWBHUEQIB-UHFFFAOYSA-N -1 3 396.232 3.608 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC000280695179 846493893 /nfs/dbraw/zinc/49/38/93/846493893.db2.gz WZCWIRWXEAKFNN-AWEZNQCLSA-N -1 3 385.464 3.839 20 0 GHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1c(Cl)oc2ccccc21 ZINC000277498541 846507824 /nfs/dbraw/zinc/50/78/24/846507824.db2.gz XNJYICYAOCUQEO-NSHDSACASA-N -1 3 387.745 3.545 20 0 GHADHM O=C(Nc1cc(Br)ccc1NC1CC1)c1cc(F)cc2n[n-]nc21 ZINC000503019303 846714940 /nfs/dbraw/zinc/71/49/40/846714940.db2.gz PIWQKVKOCPPJDI-UHFFFAOYSA-N -1 3 390.216 3.686 20 0 GHADHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc2C1 ZINC000582273850 846769835 /nfs/dbraw/zinc/76/98/35/846769835.db2.gz MVHPOPJAXWAYFO-UHFFFAOYSA-N -1 3 378.469 3.751 20 0 GHADHM CCc1c2ccccc2oc1C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422051577 846784124 /nfs/dbraw/zinc/78/41/24/846784124.db2.gz YSNBWWYPQLSUPV-CQSZACIVSA-N -1 3 399.418 3.602 20 0 GHADHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000509945900 846870032 /nfs/dbraw/zinc/87/00/32/846870032.db2.gz PZQAPOGQSXPYMA-KBPBESRZSA-N -1 3 383.819 3.595 20 0 GHADHM Cc1nc(NC(=O)c2cc(F)cc3n[n-]nc32)sc1Cc1ccc(F)cc1 ZINC000503165739 846883088 /nfs/dbraw/zinc/88/30/88/846883088.db2.gz LLGLZFAYCQMNLC-UHFFFAOYSA-N -1 3 385.399 3.844 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000731608117 861739775 /nfs/dbraw/zinc/73/97/75/861739775.db2.gz RCFYKNPCKLTJCL-UHFFFAOYSA-N -1 3 386.148 3.578 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3sccc3Br)CCC2)n1 ZINC000267117554 847058089 /nfs/dbraw/zinc/05/80/89/847058089.db2.gz ZNAIPDLZFWIPNC-UHFFFAOYSA-N -1 3 393.353 3.633 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000501617679 847060036 /nfs/dbraw/zinc/06/00/36/847060036.db2.gz HTPGWENOKOXBKG-WDEREUQCSA-N -1 3 390.361 3.511 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc([C@@H](C)CC)c3)CC2)n[n-]1 ZINC000599826748 861752408 /nfs/dbraw/zinc/75/24/08/861752408.db2.gz WNJNSLJLWZFVHN-AWEZNQCLSA-N -1 3 399.495 3.906 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc([C@@H](C)CC)c3)CC2)[n-]1 ZINC000599826748 861752417 /nfs/dbraw/zinc/75/24/17/861752417.db2.gz WNJNSLJLWZFVHN-AWEZNQCLSA-N -1 3 399.495 3.906 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2coc(-c3cccs3)n2)cc1 ZINC000731601905 861755067 /nfs/dbraw/zinc/75/50/67/861755067.db2.gz SRMRNDNFDBEMJP-UHFFFAOYSA-N -1 3 378.356 3.504 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000731603030 861755178 /nfs/dbraw/zinc/75/51/78/861755178.db2.gz NQFLQVDBFHLCRB-LJQANCHMSA-N -1 3 382.366 3.772 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c1 ZINC000127633686 847179018 /nfs/dbraw/zinc/17/90/18/847179018.db2.gz YGASYRYOEVKUTB-UHFFFAOYSA-N -1 3 396.468 3.987 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000272858969 847192406 /nfs/dbraw/zinc/19/24/06/847192406.db2.gz ISAZPNOJIOHNQY-CABCVRRESA-N -1 3 397.475 3.554 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(Br)c1 ZINC000582428932 847210889 /nfs/dbraw/zinc/21/08/89/847210889.db2.gz DSWVNIPHOPKIOW-UHFFFAOYSA-N -1 3 390.281 3.530 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C2CC2)s1 ZINC000420680709 847368618 /nfs/dbraw/zinc/36/86/18/847368618.db2.gz WTEISZMQESJKEU-ZDUSSCGKSA-N -1 3 392.424 3.622 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cc(Cl)ccc1OC(F)F ZINC000420737042 847416760 /nfs/dbraw/zinc/41/67/60/847416760.db2.gz WCBJFJSMVFBDEV-UHFFFAOYSA-N -1 3 393.761 3.952 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)ccc1OCC(C)C ZINC000503318023 847595146 /nfs/dbraw/zinc/59/51/46/847595146.db2.gz QHCVXMXGKZJSGN-LBPRGKRZSA-N -1 3 386.427 3.631 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1c(C)cccc1Cl)Cc1ccc([O-])c(F)c1 ZINC000421102033 847745631 /nfs/dbraw/zinc/74/56/31/847745631.db2.gz VCJYTGPXXNOZCZ-CYBMUJFWSA-N -1 3 394.830 3.647 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN([C@@H](C)C(F)(F)F)CC2)c1C ZINC000582610397 847780612 /nfs/dbraw/zinc/78/06/12/847780612.db2.gz WWMMMXNDYNJLCG-ZDUSSCGKSA-N -1 3 381.398 3.623 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000502353587 847789381 /nfs/dbraw/zinc/78/93/81/847789381.db2.gz KJFGNPAQVHWXAN-SFHVURJKSA-N -1 3 376.456 3.588 20 0 GHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl)OC ZINC000421243116 847903701 /nfs/dbraw/zinc/90/37/01/847903701.db2.gz ZXFXWGQPDDHADI-ZETCQYMHSA-N -1 3 391.114 3.923 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCSCc2ccccc2)cc1 ZINC000761363470 861872609 /nfs/dbraw/zinc/87/26/09/861872609.db2.gz NUKCMAQYALOYQQ-UHFFFAOYSA-N -1 3 379.503 3.538 20 0 GHADHM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1c[n-]c2ccccc2c1=O ZINC000135585680 848176686 /nfs/dbraw/zinc/17/66/86/848176686.db2.gz NJSAHNHQFHLUAC-UHFFFAOYSA-N -1 3 385.423 3.797 20 0 GHADHM CC(C)(C)OC(=O)CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CCOCC1 ZINC000582906964 848679529 /nfs/dbraw/zinc/67/95/29/848679529.db2.gz PIQLBHQCWXOCBB-UHFFFAOYSA-N -1 3 399.487 3.898 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1C ZINC000583027146 848907662 /nfs/dbraw/zinc/90/76/62/848907662.db2.gz DYHAHIGIFCKQCL-ZCCHDVMBSA-N -1 3 384.476 3.713 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([O-])c1 ZINC000153913550 849127613 /nfs/dbraw/zinc/12/76/13/849127613.db2.gz NDKWHDRJHQJOBQ-SNVBAGLBSA-N -1 3 386.395 3.896 20 0 GHADHM Cc1cc(C)cc([C@@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1 ZINC000426752573 849148750 /nfs/dbraw/zinc/14/87/50/849148750.db2.gz DDRVGFTXQLZMCO-MRXNPFEDSA-N -1 3 392.249 3.710 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1 ZINC000150805912 849259888 /nfs/dbraw/zinc/25/98/88/849259888.db2.gz XVJOOIJDLZOSFK-UHFFFAOYSA-N -1 3 396.398 3.687 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000150817819 849301660 /nfs/dbraw/zinc/30/16/60/849301660.db2.gz BLVWCRNHJFXKQH-UHFFFAOYSA-N -1 3 395.434 3.729 20 0 GHADHM NC(=O)c1ccc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000029678465 862029939 /nfs/dbraw/zinc/02/99/39/862029939.db2.gz SJZQMICDIWUVQJ-UHFFFAOYSA-N -1 3 397.481 3.777 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000673884270 862035629 /nfs/dbraw/zinc/03/56/29/862035629.db2.gz LETPDRWQPGAZDV-UHFFFAOYSA-N -1 3 384.423 3.803 20 0 GHADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H](C)c1cccnc1 ZINC000126120762 849659094 /nfs/dbraw/zinc/65/90/94/849659094.db2.gz DQPQKLRWMDMTFC-GFCCVEGCSA-N -1 3 378.270 3.842 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000486751975 850055014 /nfs/dbraw/zinc/05/50/14/850055014.db2.gz DOVHFCYXNNDEDI-RHSMWYFYSA-N -1 3 397.541 3.889 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc(OCc2ccccn2)c1 ZINC000518812837 850182328 /nfs/dbraw/zinc/18/23/28/850182328.db2.gz PHOHIHRWSAGTPN-INIZCTEOSA-N -1 3 387.443 3.613 20 0 GHADHM CCc1cc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1C ZINC000908624173 850223365 /nfs/dbraw/zinc/22/33/65/850223365.db2.gz QDHRASUKUMIFLC-HSZRJFAPSA-N -1 3 395.503 3.798 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424259025 850319928 /nfs/dbraw/zinc/31/99/28/850319928.db2.gz MKOVDIUZUBQWDH-MRXNPFEDSA-N -1 3 387.307 3.671 20 0 GHADHM CC[C@@](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751382 850327797 /nfs/dbraw/zinc/32/77/97/850327797.db2.gz LEUDQSAFDMBOMA-OFNKIYASSA-N -1 3 395.503 3.513 20 0 GHADHM CC1(C)CCC[C@](NC(=O)NC[C@H](c2cccs2)N2CCCC2)(C(=O)[O-])C1 ZINC000908751899 850328842 /nfs/dbraw/zinc/32/88/42/850328842.db2.gz OVRSUZGJPNKUDP-FOIQADDNSA-N -1 3 393.553 3.608 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)N(C)C)cc1 ZINC000908755484 850332629 /nfs/dbraw/zinc/33/26/29/850332629.db2.gz YJOITCWIRUPNOR-UTKZUKDTSA-N -1 3 397.519 3.709 20 0 GHADHM COc1cc(CN(C)CCOc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC000514866062 850408653 /nfs/dbraw/zinc/40/86/53/850408653.db2.gz GBQYLEVCSXTXJF-UHFFFAOYSA-N -1 3 381.375 3.506 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)N(C)C)cc1 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CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(F)(F)F ZINC000443944051 862230756 /nfs/dbraw/zinc/23/07/56/862230756.db2.gz OYDVDIWVAZEEGJ-ZUZCIYMTSA-N -1 3 376.400 3.905 20 0 GHADHM COc1cccc2c1CCN(Cc1ccc(C(=O)[O-])cc1Br)CC2 ZINC000515660190 851324469 /nfs/dbraw/zinc/32/44/69/851324469.db2.gz QVCDNVHJSGUJBH-UHFFFAOYSA-N -1 3 390.277 3.757 20 0 GHADHM CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(O)cc1[O-] ZINC000192532506 862237656 /nfs/dbraw/zinc/23/76/56/862237656.db2.gz SESPBKCCXJYNPE-UHFFFAOYSA-N -1 3 396.365 3.606 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000911110032 851579159 /nfs/dbraw/zinc/57/91/59/851579159.db2.gz WTIDKQDPHYORLB-QFBILLFUSA-N -1 3 398.528 3.819 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccsc1 ZINC000911192650 851616117 /nfs/dbraw/zinc/61/61/17/851616117.db2.gz XMHKFPIEGSTTLH-DZIBYMRMSA-N -1 3 378.538 3.672 20 0 GHADHM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000911321957 851691082 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O=S(=O)([N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(F)ccc1Cl ZINC000488766593 851755724 /nfs/dbraw/zinc/75/57/24/851755724.db2.gz UXDVGIKROWVUGO-GOSISDBHSA-N -1 3 397.855 3.680 20 0 GHADHM CCOC(=O)CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000101636525 851767335 /nfs/dbraw/zinc/76/73/35/851767335.db2.gz FWHSDSVUIQUXIR-UHFFFAOYSA-N -1 3 381.472 3.788 20 0 GHADHM Oc1cccc(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000436521940 852011057 /nfs/dbraw/zinc/01/10/57/852011057.db2.gz ILRVCHMDQVEETG-UHFFFAOYSA-N -1 3 398.220 3.581 20 0 GHADHM COc1ccc([O-])c(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)c1 ZINC000436529261 852019989 /nfs/dbraw/zinc/01/99/89/852019989.db2.gz AYAGEVZUYOXNJL-UHFFFAOYSA-N -1 3 393.321 3.651 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccccc1I ZINC000436544456 852058104 /nfs/dbraw/zinc/05/81/04/852058104.db2.gz JQZXHWPLQXHRBY-HNNXBMFYSA-N -1 3 393.224 3.974 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000436576582 852060342 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GHADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436589627 852096844 /nfs/dbraw/zinc/09/68/44/852096844.db2.gz WVGGEDSRZIYHCZ-UHFFFAOYSA-N -1 3 382.460 3.624 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000436607034 852106140 /nfs/dbraw/zinc/10/61/40/852106140.db2.gz RYKADXYEVKMATL-PZJWPPBQSA-N -1 3 383.513 3.524 20 0 GHADHM CCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC000436611712 852110494 /nfs/dbraw/zinc/11/04/94/852110494.db2.gz VUMZFYJUMSVJMU-UHFFFAOYSA-N -1 3 381.476 3.689 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1[O-] ZINC000436637425 852132043 /nfs/dbraw/zinc/13/20/43/852132043.db2.gz WGHJMAIHACRPJA-UHFFFAOYSA-N -1 3 380.375 3.851 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)Cc2cc(Br)ccc2F)cc1[O-] ZINC000436637487 852132160 /nfs/dbraw/zinc/13/21/60/852132160.db2.gz WTZHXKWSIVCZIK-UHFFFAOYSA-N -1 3 380.213 3.769 20 0 GHADHM Cc1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)sc1Cc1ccc(C)cc1 ZINC000517585763 852137079 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GHADHM Cc1ccc(-c2csc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)n2)cc1 ZINC000436696719 852211197 /nfs/dbraw/zinc/21/11/97/852211197.db2.gz QOAKUUVAUHATSC-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM COc1ccc(Cn2ccnc2SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000436719676 852244088 /nfs/dbraw/zinc/24/40/88/852244088.db2.gz AUKWYGRIMOQHGA-UHFFFAOYSA-N -1 3 394.456 3.988 20 0 GHADHM CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436739425 852257269 /nfs/dbraw/zinc/25/72/69/852257269.db2.gz ODSXDONIICAHIX-OAQYLSRUSA-N -1 3 394.515 3.556 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2C)c1 ZINC000436744766 852264774 /nfs/dbraw/zinc/26/47/74/852264774.db2.gz PMFVUEDFLDGJKG-UHFFFAOYSA-N -1 3 397.406 3.661 20 0 GHADHM CCN(Cc1cccc(Br)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506206932 852272410 /nfs/dbraw/zinc/27/24/10/852272410.db2.gz PXKLJYZCKHINGA-UHFFFAOYSA-N -1 3 385.261 3.953 20 0 GHADHM COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)ccc3[O-])cc2)cc1 ZINC000436758374 852278266 /nfs/dbraw/zinc/27/82/66/852278266.db2.gz XCHYOKBLOZWNPP-UHFFFAOYSA-N -1 3 392.411 3.914 20 0 GHADHM CC(C)c1cccc(O[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c1 ZINC000912469525 852292878 /nfs/dbraw/zinc/29/28/78/852292878.db2.gz MTIVZRLVWPBXMU-TZIWHRDSSA-N -1 3 393.487 3.558 20 0 GHADHM O=C([O-])c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000426689946 852293253 /nfs/dbraw/zinc/29/32/53/852293253.db2.gz XQXNCSAFGCKJCT-UHFFFAOYSA-N -1 3 398.466 3.981 20 0 GHADHM CCC(CC)(C(=O)NCCCc1c[n-][nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000912470358 852293673 /nfs/dbraw/zinc/29/36/73/852293673.db2.gz SDWDBUXFIQEVHA-LBPRGKRZSA-N -1 3 384.307 3.679 20 0 GHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426722920 852307900 /nfs/dbraw/zinc/30/79/00/852307900.db2.gz XKVJJCMVPDNTNJ-KRWDZBQOSA-N -1 3 396.409 3.994 20 0 GHADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000436774284 852308127 /nfs/dbraw/zinc/30/81/27/852308127.db2.gz MNDGDHBXEGVGND-LBPRGKRZSA-N -1 3 392.908 3.632 20 0 GHADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cc(Cl)cc2c1OCC2 ZINC000426726189 852310386 /nfs/dbraw/zinc/31/03/86/852310386.db2.gz HUYNXYKPDXANCH-GOSISDBHSA-N -1 3 391.920 3.794 20 0 GHADHM CC(C)Nc1cc(Br)ccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912512349 852315377 /nfs/dbraw/zinc/31/53/77/852315377.db2.gz FWINOORISWUQON-UHFFFAOYSA-N -1 3 391.269 3.895 20 0 GHADHM O=C([O-])[C@@H](CSCc1cccc2cccnc21)NCc1cc(F)ccc1F ZINC000426729824 852322325 /nfs/dbraw/zinc/32/23/25/852322325.db2.gz HDGSPPCBIJJFPG-GOSISDBHSA-N -1 3 388.439 3.989 20 0 GHADHM O=C(NCc1cc2ccccc2s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436768082 852323868 /nfs/dbraw/zinc/32/38/68/852323868.db2.gz VZOYPWFRHFBMER-KRWDZBQOSA-N -1 3 380.469 3.528 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OCc3ccncc3)cc2)c1 ZINC000426764802 852350237 /nfs/dbraw/zinc/35/02/37/852350237.db2.gz YFTPQQNXMRNZPY-JOCHJYFZSA-N -1 3 392.455 3.975 20 0 GHADHM CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000436792395 852350599 /nfs/dbraw/zinc/35/05/99/852350599.db2.gz NSIZSXJAWZBYTA-MRXNPFEDSA-N -1 3 376.859 3.921 20 0 GHADHM CCc1ccc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c([O-])c1 ZINC000436797110 852353848 /nfs/dbraw/zinc/35/38/48/852353848.db2.gz DJNHPKOWSQSRBD-UHFFFAOYSA-N -1 3 398.772 3.600 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c([O-])c1 ZINC000436802102 852360443 /nfs/dbraw/zinc/36/04/43/852360443.db2.gz GSXKTEQBNXHKCQ-QGZVFWFLSA-N -1 3 383.448 3.507 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000426756921 852363411 /nfs/dbraw/zinc/36/34/11/852363411.db2.gz ATFMAOQXUYZAJY-NRFANRHFSA-N -1 3 379.460 3.636 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000426780567 852386422 /nfs/dbraw/zinc/38/64/22/852386422.db2.gz TXNZIDCSSYMIBK-OAHLLOKOSA-N -1 3 399.365 3.908 20 0 GHADHM COc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1NC(N)=O ZINC000436819963 852388156 /nfs/dbraw/zinc/38/81/56/852388156.db2.gz FOCPRVGOJHZLED-UHFFFAOYSA-N -1 3 393.399 3.936 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(-c3ccco3)cc2F)c([O-])c1 ZINC000436821202 852389027 /nfs/dbraw/zinc/38/90/27/852389027.db2.gz JWEMTECKATUSNN-UHFFFAOYSA-N -1 3 382.391 3.858 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000426785267 852390441 /nfs/dbraw/zinc/39/04/41/852390441.db2.gz PANSLUAORGABRX-QGZVFWFLSA-N -1 3 391.851 3.816 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000436827262 852395347 /nfs/dbraw/zinc/39/53/47/852395347.db2.gz CXVBSHIBVZALET-MRXNPFEDSA-N -1 3 384.476 3.689 20 0 GHADHM CCCc1sc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1CC ZINC000436851062 852417204 /nfs/dbraw/zinc/41/72/04/852417204.db2.gz BRQTVCQFQWGEOK-UHFFFAOYSA-N -1 3 386.517 3.567 20 0 GHADHM C[C@H](c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1)N1CCOCC1 ZINC000436851579 852419297 /nfs/dbraw/zinc/41/92/97/852419297.db2.gz MCMZWLQJJIPZMF-MRXNPFEDSA-N -1 3 380.488 3.917 20 0 GHADHM CCc1ccc([C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426813409 852425017 /nfs/dbraw/zinc/42/50/17/852425017.db2.gz XAHSBGKJKCBJBH-GOSISDBHSA-N -1 3 375.852 3.979 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3ccc(OC)c(Cl)c3)no2)c([O-])c1 ZINC000436868481 852433426 /nfs/dbraw/zinc/43/34/26/852433426.db2.gz JMZDHZVZZRWUDL-UHFFFAOYSA-N -1 3 387.823 3.848 20 0 GHADHM CCCOc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000426830134 852443452 /nfs/dbraw/zinc/44/34/52/852443452.db2.gz VMLSHBZMIJDKOX-IBGZPJMESA-N -1 3 377.412 3.547 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436884216 852454314 /nfs/dbraw/zinc/45/43/14/852454314.db2.gz AJUMVOVWGPNFMZ-UHFFFAOYSA-N -1 3 396.487 3.604 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732560750 862359203 /nfs/dbraw/zinc/35/92/03/862359203.db2.gz NMLBOXCNAPTYAN-SNVBAGLBSA-N -1 3 393.777 3.878 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000517813999 852457519 /nfs/dbraw/zinc/45/75/19/852457519.db2.gz GARCCTYYURFQDR-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000517813999 852457524 /nfs/dbraw/zinc/45/75/24/852457524.db2.gz GARCCTYYURFQDR-UHFFFAOYSA-N -1 3 394.822 3.572 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@H](C(C)C)C3)nc(=O)c2c1C ZINC000438499020 852489855 /nfs/dbraw/zinc/48/98/55/852489855.db2.gz ZFHHTVSVJWYJPF-CHWSQXEVSA-N -1 3 377.510 3.509 20 0 GHADHM Cc1cc2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])nc2cc1F ZINC000436915777 852494912 /nfs/dbraw/zinc/49/49/12/852494912.db2.gz QCRXERLOBQJPKE-HNNXBMFYSA-N -1 3 399.447 3.693 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C)CCC3)ccc2C)cc1 ZINC000426049733 852515475 /nfs/dbraw/zinc/51/54/75/852515475.db2.gz JXBKJAMVSNLCEI-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM Cc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436945364 852527416 /nfs/dbraw/zinc/52/74/16/852527416.db2.gz PPJSCIPDYCTLCH-MRXNPFEDSA-N -1 3 398.528 3.602 20 0 GHADHM CC(C)Sc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436948319 852529780 /nfs/dbraw/zinc/52/97/80/852529780.db2.gz WDJUGPOCJNWFJB-UHFFFAOYSA-N -1 3 398.528 3.927 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cccc(OC(F)(F)F)c1F ZINC000489695610 852530927 /nfs/dbraw/zinc/53/09/27/852530927.db2.gz LFRDVIOBNZADNB-OAHLLOKOSA-N -1 3 390.358 3.549 20 0 GHADHM CSc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436948624 852531729 /nfs/dbraw/zinc/53/17/29/852531729.db2.gz HSWJGECYUCQGIF-UHFFFAOYSA-N -1 3 397.456 3.593 20 0 GHADHM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000150889446 852550224 /nfs/dbraw/zinc/55/02/24/852550224.db2.gz AFXGKOWYPQZTIA-UHFFFAOYSA-N -1 3 396.818 3.875 20 0 GHADHM Cc1c(F)ccc(Cl)c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436972074 852553749 /nfs/dbraw/zinc/55/37/49/852553749.db2.gz MOPHKSTUDTWKIP-UHFFFAOYSA-N -1 3 390.842 3.528 20 0 GHADHM CC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)(C)C ZINC000436977122 852563458 /nfs/dbraw/zinc/56/34/58/852563458.db2.gz DODWLXCCZYMJEA-INIZCTEOSA-N -1 3 389.521 3.893 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436976757 852564025 /nfs/dbraw/zinc/56/40/25/852564025.db2.gz APQKMIUGPMHFMF-CYBMUJFWSA-N -1 3 389.521 3.847 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c([O-])c1 ZINC000436977782 852565331 /nfs/dbraw/zinc/56/53/31/852565331.db2.gz FMMCZJRWFXFIPR-UHFFFAOYSA-N -1 3 386.879 3.654 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCO[C@H](c3cccc(OC)c3)C2)c([O-])c1 ZINC000436983509 852592347 /nfs/dbraw/zinc/59/23/47/852592347.db2.gz CMRZNXWGHJYJNG-NRFANRHFSA-N -1 3 385.460 3.793 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c([O-])c1 ZINC000436983641 852592363 /nfs/dbraw/zinc/59/23/63/852592363.db2.gz CWONEGZBAMYJCC-UHFFFAOYSA-N -1 3 392.459 3.527 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3COc4ccc(Cl)cc43)cc2)n1 ZINC000489935945 852656496 /nfs/dbraw/zinc/65/64/96/852656496.db2.gz WURJYOLPCNLTRL-MRXNPFEDSA-N -1 3 381.819 3.513 20 0 GHADHM CC(C)(C)n1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC000490045241 852732266 /nfs/dbraw/zinc/73/22/66/852732266.db2.gz GRJKVMUJTHDIEG-UHFFFAOYSA-N -1 3 387.447 3.738 20 0 GHADHM CC(C)(C)n1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000490045241 852732271 /nfs/dbraw/zinc/73/22/71/852732271.db2.gz GRJKVMUJTHDIEG-UHFFFAOYSA-N -1 3 387.447 3.738 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C(F)(F)F)cc3)n[n-]2)o1 ZINC000438700410 852744021 /nfs/dbraw/zinc/74/40/21/852744021.db2.gz WEJXNRSYSAKHBH-SNVBAGLBSA-N -1 3 380.326 3.798 20 0 GHADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437120549 852759315 /nfs/dbraw/zinc/75/93/15/852759315.db2.gz ASAMBQYAVWNNQV-HXUWFJFHSA-N -1 3 387.499 3.987 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(F)c(Br)c1 ZINC000438783158 852847742 /nfs/dbraw/zinc/84/77/42/852847742.db2.gz BQYKJRVUKDPMDY-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473856545 852898348 /nfs/dbraw/zinc/89/83/48/852898348.db2.gz LRXXRSULVYEMHR-OAQYLSRUSA-N -1 3 391.471 3.752 20 0 GHADHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000427252013 852905794 /nfs/dbraw/zinc/90/57/94/852905794.db2.gz ZGTZMGAOLHQYPY-DMDKVIGKSA-N -1 3 398.377 3.660 20 0 GHADHM O=C(N=c1[n-]nc(/C=C/c2ccco2)s1)c1ccc(CN2CCCCC2)cc1 ZINC000490317078 852919253 /nfs/dbraw/zinc/91/92/53/852919253.db2.gz VSKLRYLYELTVEA-ZHACJKMWSA-N -1 3 394.500 3.962 20 0 GHADHM Cc1cc(F)cc2c1CN(C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000507477736 852950751 /nfs/dbraw/zinc/95/07/51/852950751.db2.gz OMSKOCUHCOCYQP-UHFFFAOYSA-N -1 3 393.256 3.870 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)sc1Cl ZINC000473859239 852965045 /nfs/dbraw/zinc/96/50/45/852965045.db2.gz AIJCFHWXABSVON-UHFFFAOYSA-N -1 3 389.901 3.833 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000507512911 852991733 /nfs/dbraw/zinc/99/17/33/852991733.db2.gz VIGAGRNMZLZFOW-CYBMUJFWSA-N -1 3 380.275 3.945 20 0 GHADHM Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(C(C)C)c2)[n-]c1-c1ccccc1 ZINC000490415370 853003492 /nfs/dbraw/zinc/00/34/92/853003492.db2.gz PHSGNGVHWXABGD-UHFFFAOYSA-N -1 3 397.500 3.921 20 0 GHADHM Cc1[n-]c(S(=O)(=O)CC(=O)Nc2cccc(C(C)C)c2)nc1-c1ccccc1 ZINC000490415370 853003503 /nfs/dbraw/zinc/00/35/03/853003503.db2.gz PHSGNGVHWXABGD-UHFFFAOYSA-N -1 3 397.500 3.921 20 0 GHADHM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000506036385 853032252 /nfs/dbraw/zinc/03/22/52/853032252.db2.gz AZAXEAXIQWGIHA-UHFFFAOYSA-N -1 3 396.319 3.717 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1COCc1ccccc1)C1CC1 ZINC000518184427 853050390 /nfs/dbraw/zinc/05/03/90/853050390.db2.gz AMPYVMIPPDSBMW-HXUWFJFHSA-N -1 3 375.490 3.570 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H]1OCCc2sccc21 ZINC000490522463 853071758 /nfs/dbraw/zinc/07/17/58/853071758.db2.gz YYBVKTIBRYCBMP-BJOHPYRUSA-N -1 3 375.874 3.521 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)o1 ZINC000490534171 853081825 /nfs/dbraw/zinc/08/18/25/853081825.db2.gz IXZDGARIVBLBAM-UHFFFAOYSA-N -1 3 398.484 3.645 20 0 GHADHM C[C@@H](SCCc1cn(C)nn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000600620061 862428576 /nfs/dbraw/zinc/42/85/76/862428576.db2.gz GYDFFWCXAZYFSR-SNVBAGLBSA-N -1 3 387.490 3.822 20 0 GHADHM CN(Cc1cccc([O-])c1Cl)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000507650419 853136199 /nfs/dbraw/zinc/13/61/99/853136199.db2.gz AQUQKCKHWNTESW-CQSZACIVSA-N -1 3 389.801 3.936 20 0 GHADHM CN(Cc1c(F)ccc([O-])c1F)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000507654900 853156042 /nfs/dbraw/zinc/15/60/42/853156042.db2.gz XZWUQUUHRKZSHI-LLVKDONJSA-N -1 3 391.336 3.561 20 0 GHADHM CN(Cc1c(F)ccc([O-])c1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000507654901 853156503 /nfs/dbraw/zinc/15/65/03/853156503.db2.gz XZWUQUUHRKZSHI-NSHDSACASA-N -1 3 391.336 3.561 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)[C@@H]1Cc2ccccc21 ZINC000439158859 853349404 /nfs/dbraw/zinc/34/94/04/853349404.db2.gz PZQONINZEKIUBQ-OAHLLOKOSA-N -1 3 386.224 3.679 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517100512 853365307 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COC(=O)c1ccc(-c2nc(C(C)(C)c3ccc(Br)cc3)no2)[n-]1 ZINC000426397154 853694026 /nfs/dbraw/zinc/69/40/26/853694026.db2.gz RFEGFEJBQGSVAL-UHFFFAOYSA-N -1 3 390.237 3.940 20 0 GHADHM CO[C@@](C)(c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000571103462 853744206 /nfs/dbraw/zinc/74/42/06/853744206.db2.gz ZYVLHKLCFQJNSQ-MRXNPFEDSA-N -1 3 390.241 3.556 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000441002752 853820544 /nfs/dbraw/zinc/82/05/44/853820544.db2.gz SVKLCLCCPJXIDO-UHFFFAOYSA-N -1 3 380.244 3.999 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)onc3-c3ccccc3)nc21 ZINC000157817689 862504766 /nfs/dbraw/zinc/50/47/66/862504766.db2.gz JFHVHVFPWLHNST-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM COCCC[C@@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000571467564 853886445 /nfs/dbraw/zinc/88/64/45/853886445.db2.gz BORYXDXFBLMMIZ-SNVBAGLBSA-N -1 3 392.257 3.814 20 0 GHADHM C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000481914486 862512852 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O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000481937079 862541114 /nfs/dbraw/zinc/54/11/14/862541114.db2.gz WTMRYBOGCCURHS-UHFFFAOYSA-N -1 3 378.141 3.542 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1F ZINC000050534713 854261638 /nfs/dbraw/zinc/26/16/38/854261638.db2.gz OZEFBDKKYSKPNR-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(C)CCOCC3)cc2)cc1 ZINC000588630460 854309000 /nfs/dbraw/zinc/30/90/00/854309000.db2.gz PZTYPTFSKFYXJQ-UHFFFAOYSA-N -1 3 388.489 3.551 20 0 GHADHM CC(C)CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000588636179 854322015 /nfs/dbraw/zinc/32/20/15/854322015.db2.gz GJKAQAXYNQXLJP-UHFFFAOYSA-N -1 3 393.484 3.605 20 0 GHADHM Cc1nsc(C)c1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000550386849 854442087 /nfs/dbraw/zinc/44/20/87/854442087.db2.gz MPMLRACXAVSXPW-UHFFFAOYSA-N -1 3 395.257 3.726 20 0 GHADHM O=C(N[C@H]1CCc2sc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000572211968 854442994 /nfs/dbraw/zinc/44/29/94/854442994.db2.gz NFTNLXNXLSGHDZ-UONOGXRCSA-N -1 3 390.892 3.515 20 0 GHADHM COC[C@H](C)Nc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000572504669 854526313 /nfs/dbraw/zinc/52/63/13/854526313.db2.gz CYQSZNFXMSMBFX-ZDUSSCGKSA-N -1 3 383.423 3.675 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c(C)o1 ZINC000579311992 854649168 /nfs/dbraw/zinc/64/91/68/854649168.db2.gz UEJMUBFESSOHEH-INIZCTEOSA-N -1 3 396.896 3.517 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)cc1F ZINC000188473159 854652823 /nfs/dbraw/zinc/65/28/23/854652823.db2.gz BHWIOJGMLJKHMO-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000624410079 854780206 /nfs/dbraw/zinc/78/02/06/854780206.db2.gz FTCXQOUFAGAQHE-SFHVURJKSA-N -1 3 396.487 3.583 20 0 GHADHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(Br)ccc1[O-] ZINC000536319945 854818011 /nfs/dbraw/zinc/81/80/11/854818011.db2.gz KIOBKTAAZZQZCH-JTQLQIEISA-N -1 3 378.222 3.668 20 0 GHADHM O=C(c1ccc(CSc2ccccc2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000520455800 854930846 /nfs/dbraw/zinc/93/08/46/854930846.db2.gz SPWBFAPUARDBGQ-UHFFFAOYSA-N -1 3 377.469 3.673 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589682474 855105116 /nfs/dbraw/zinc/10/51/16/855105116.db2.gz ARGYMHOJRIRPEJ-UHFFFAOYSA-N -1 3 394.471 3.869 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000589689159 855107703 /nfs/dbraw/zinc/10/77/03/855107703.db2.gz NVTTUPMLTCMAGT-QFIPXVFZSA-N -1 3 388.467 3.612 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000131596181 855151260 /nfs/dbraw/zinc/15/12/60/855151260.db2.gz OTHYRAHVPLHZKF-DNVCBOLYSA-N -1 3 387.443 3.742 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c(C)c1C ZINC000604971944 862648612 /nfs/dbraw/zinc/64/86/12/862648612.db2.gz GIQZUMMFEAWJOV-UHFFFAOYSA-N -1 3 391.880 3.952 20 0 GHADHM O=c1[n-]nc(S[C@H](c2ccccc2)c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000133756506 862680941 /nfs/dbraw/zinc/68/09/41/862680941.db2.gz XOJPICFQBWMSIK-QZTJIDSGSA-N -1 3 385.464 3.771 20 0 GHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000417537522 855504667 /nfs/dbraw/zinc/50/46/67/855504667.db2.gz SLRGSHRSFKGOHY-QWHCGFSZSA-N -1 3 376.478 3.908 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590614266 855508937 /nfs/dbraw/zinc/50/89/37/855508937.db2.gz VVKDNSZHFODNRJ-ZBFHGGJFSA-N -1 3 397.541 3.937 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCCCC(=O)[O-])CC2 ZINC000181538989 855555249 /nfs/dbraw/zinc/55/52/49/855555249.db2.gz YCIKUQGWRSBKKJ-FQEVSTJZSA-N -1 3 375.490 3.968 20 0 GHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000591045930 855736456 /nfs/dbraw/zinc/73/64/56/855736456.db2.gz NZBQYVSIXCUGRL-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000765861382 855830870 /nfs/dbraw/zinc/83/08/70/855830870.db2.gz CWROKWVOJJFRQS-JLTOFOAXSA-N -1 3 380.460 3.621 20 0 GHADHM O=c1cc(C[S@](=O)Cc2csc(-c3ccc(F)cc3)n2)nc(C2CC2)[n-]1 ZINC000591345054 855900112 /nfs/dbraw/zinc/90/01/12/855900112.db2.gz BMLJEXGZYRRSPO-SANMLTNESA-N -1 3 389.477 3.771 20 0 GHADHM O=c1[n-]c(CN2CC[C@@H](COc3ccccc3)C2)nc2c3ccccc3oc21 ZINC000542802664 855902335 /nfs/dbraw/zinc/90/23/35/855902335.db2.gz PYAUDAHSDNIOLS-OAHLLOKOSA-N -1 3 375.428 3.983 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000591436211 855985918 /nfs/dbraw/zinc/98/59/18/855985918.db2.gz NUDPBABJYVGQTB-INIZCTEOSA-N -1 3 389.238 3.854 20 0 GHADHM CCN(CC)[C@@H](C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1)c1ccccc1 ZINC000591448367 855994354 /nfs/dbraw/zinc/99/43/54/855994354.db2.gz CNEWOISZCZLIGU-OAQYLSRUSA-N -1 3 378.476 3.529 20 0 GHADHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1OCC ZINC000057701070 856000334 /nfs/dbraw/zinc/00/03/34/856000334.db2.gz XCEDZSARAFNKFF-GFCCVEGCSA-N -1 3 385.432 3.802 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000573291106 856014933 /nfs/dbraw/zinc/01/49/33/856014933.db2.gz ABQBARRWYMRWQD-QUCCMNQESA-N -1 3 394.475 3.723 20 0 GHADHM Cc1nnc(-c2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc2)o1 ZINC000485131240 856129176 /nfs/dbraw/zinc/12/91/76/856129176.db2.gz XAGWARJIFROXNY-UHFFFAOYSA-N -1 3 386.371 3.829 20 0 GHADHM COc1ccc(C(C)=O)cc1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485135055 856145933 /nfs/dbraw/zinc/14/59/33/856145933.db2.gz XGEPCPSZRYYMKI-UHFFFAOYSA-N -1 3 390.399 3.610 20 0 GHADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1F ZINC000029052117 856168674 /nfs/dbraw/zinc/16/86/74/856168674.db2.gz CTUJNUNHROMPPH-UHFFFAOYSA-N -1 3 390.480 3.840 20 0 GHADHM COc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c([O-])c1 ZINC000031897669 856195400 /nfs/dbraw/zinc/19/54/00/856195400.db2.gz OVAAINIYUIDNLT-KRWDZBQOSA-N -1 3 392.858 3.760 20 0 GHADHM CCOC(=O)C(=Cc1ccc(F)c(F)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815200 856228580 /nfs/dbraw/zinc/22/85/80/856228580.db2.gz AQFKNVPJHALESD-KPKJPENVSA-N -1 3 390.411 3.983 20 0 GHADHM CCOC(=O)c1sc(NC(=O)c2cc([O-])cc(Br)c2)cc1C ZINC001168663356 856318343 /nfs/dbraw/zinc/31/83/43/856318343.db2.gz KLLKPSCWWYTNNB-UHFFFAOYSA-N -1 3 384.251 3.954 20 0 GHADHM CN(C(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1)c1ccccc1 ZINC000104837815 856429493 /nfs/dbraw/zinc/42/94/93/856429493.db2.gz WPVILRDAGOLMDR-UHFFFAOYSA-N -1 3 387.399 3.594 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000110094959 856446378 /nfs/dbraw/zinc/44/63/78/856446378.db2.gz MJYGLMPWEULMBW-UHFFFAOYSA-N -1 3 399.472 3.944 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000042862063 856462025 /nfs/dbraw/zinc/46/20/25/856462025.db2.gz VGZQRESWSHOONY-UHFFFAOYSA-N -1 3 387.867 3.606 20 0 GHADHM COC(=O)Nc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000765937480 856543462 /nfs/dbraw/zinc/54/34/62/856543462.db2.gz TWGVBZKZXKOWQV-UHFFFAOYSA-N -1 3 394.225 3.655 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H](C3CCOCC3)C2)cc1Br ZINC000905755167 856558872 /nfs/dbraw/zinc/55/88/72/856558872.db2.gz GHNAQIWEZSHTHE-HNNXBMFYSA-N -1 3 382.298 3.786 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3cccc(OCc4cccnc4)c3)no1)OCO2 ZINC000436885280 856668369 /nfs/dbraw/zinc/66/83/69/856668369.db2.gz HEYXCRHODGZYGO-UHFFFAOYSA-N -1 3 389.367 3.812 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(Br)s3)no1)OCO2 ZINC000436902015 856677434 /nfs/dbraw/zinc/67/74/34/856677434.db2.gz IMBJNPMRIZUWEP-UHFFFAOYSA-N -1 3 381.207 3.586 20 0 GHADHM COc1ccc(-c2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)sc2C)cc1 ZINC000482211979 862823480 /nfs/dbraw/zinc/82/34/80/862823480.db2.gz OZELUZZODDKOIY-UHFFFAOYSA-N -1 3 396.394 3.799 20 0 GHADHM O=C(NC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)Nc1cccc(F)c1 ZINC000507939924 856689604 /nfs/dbraw/zinc/68/96/04/856689604.db2.gz WLKPJRIQJZCOSN-CYBMUJFWSA-N -1 3 393.409 3.843 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(F)c(Br)c2)no1 ZINC000507940438 856692575 /nfs/dbraw/zinc/69/25/75/856692575.db2.gz YFVIPQKBTHYXOP-UHFFFAOYSA-N -1 3 391.262 3.816 20 0 GHADHM [O-]c1ccc(F)c(CN(CCO)Cc2cc(Br)ccc2F)c1F ZINC000507969395 856749270 /nfs/dbraw/zinc/74/92/70/856749270.db2.gz VUCMOJNJHKPBES-UHFFFAOYSA-N -1 3 390.199 3.567 20 0 GHADHM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000672183498 856800160 /nfs/dbraw/zinc/80/01/60/856800160.db2.gz SRKBVJZUXUIPSX-SJCJKPOMSA-N -1 3 381.350 3.976 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000508020918 856820780 /nfs/dbraw/zinc/82/07/80/856820780.db2.gz BMZKVFWPXQMDDU-HNNXBMFYSA-N -1 3 391.411 3.991 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H](N)C(C)C)no3)c2)cc1 ZINC000843149550 856823380 /nfs/dbraw/zinc/82/33/80/856823380.db2.gz AZCQCNPNQLRJOR-KRWDZBQOSA-N -1 3 386.477 3.502 20 0 GHADHM O=S(=O)([N-][C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1c[nH]c2ncccc12 ZINC000508094377 856905649 /nfs/dbraw/zinc/90/56/49/856905649.db2.gz HRNXQPVBAPUWFB-OAHLLOKOSA-N -1 3 394.378 3.626 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1-c1cccs1 ZINC000046850840 856937971 /nfs/dbraw/zinc/93/79/71/856937971.db2.gz NYYNGNCKUCSXSO-UHFFFAOYSA-N -1 3 381.457 3.672 20 0 GHADHM CCCCc1nc(NC(=O)Cc2ccccc2SC)c(C(=O)OCC)[n-]1 ZINC000485695553 856968532 /nfs/dbraw/zinc/96/85/32/856968532.db2.gz BPGCJSXXQKXYDM-UHFFFAOYSA-N -1 3 375.494 3.832 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c(C(=O)OCC)[n-]1 ZINC000485697335 856972045 /nfs/dbraw/zinc/97/20/45/856972045.db2.gz SFYMJSDAPPEYMK-CYBMUJFWSA-N -1 3 387.484 3.657 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000592647440 856999214 /nfs/dbraw/zinc/99/92/14/856999214.db2.gz SKDKVXXAVRZBFP-SNVBAGLBSA-N -1 3 377.819 3.781 20 0 GHADHM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)ccc1[O-] ZINC000063803347 857059603 /nfs/dbraw/zinc/05/96/03/857059603.db2.gz CFFURAXTJPUWHF-UHFFFAOYSA-N -1 3 376.884 3.707 20 0 GHADHM COC(=O)c1c(CN2CC[C@@H](C(=O)[O-])C2)nc2ccccc2c1-c1ccccc1 ZINC000592988156 857176044 /nfs/dbraw/zinc/17/60/44/857176044.db2.gz OQUUWSGDKVDJBV-MRXNPFEDSA-N -1 3 390.439 3.595 20 0 GHADHM O=C([N-]CC1CCN(Cc2csc(-c3ccsc3)n2)CC1)C(F)(F)F ZINC000281164708 862880423 /nfs/dbraw/zinc/88/04/23/862880423.db2.gz GJOWUVBJPNACBC-UHFFFAOYSA-N -1 3 389.468 3.762 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000057301152 857185300 /nfs/dbraw/zinc/18/53/00/857185300.db2.gz GCIJMZMTFDZCIQ-ZIAGYGMSSA-N -1 3 378.469 3.791 20 0 GHADHM C[C@H](CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl)c1nccs1 ZINC000187004310 862893278 /nfs/dbraw/zinc/89/32/78/862893278.db2.gz VICSODSYJGLYSB-ZCFIWIBFSA-N -1 3 380.688 3.928 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000520825162 857244003 /nfs/dbraw/zinc/24/40/03/857244003.db2.gz AEJLRTDAFMROOM-UHFFFAOYSA-N -1 3 384.867 3.928 20 0 GHADHM O=c1[n-]c(CN2CCN(c3ccc(F)cc3)CC2)nc2c3ccccc3oc21 ZINC000058019721 857255263 /nfs/dbraw/zinc/25/52/63/857255263.db2.gz OMXGNTDAGIZJDZ-UHFFFAOYSA-N -1 3 378.407 3.543 20 0 GHADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccccn1 ZINC000906750678 857259589 /nfs/dbraw/zinc/25/95/89/857259589.db2.gz WEOQVPGJCLVDKN-CYBMUJFWSA-N -1 3 384.224 3.844 20 0 GHADHM O=C(OCc1ccccc1C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332125 857302442 /nfs/dbraw/zinc/30/24/42/857302442.db2.gz RTDKRRBSICPWJA-MRXNPFEDSA-N -1 3 393.361 3.759 20 0 GHADHM O=C(OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332859 857304197 /nfs/dbraw/zinc/30/41/97/857304197.db2.gz GZGHDSLGMCVGRN-INIZCTEOSA-N -1 3 393.361 3.759 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000486050163 857363773 /nfs/dbraw/zinc/36/37/73/857363773.db2.gz BCYYHOABUJELMN-UHFFFAOYSA-N -1 3 397.862 3.672 20 0 GHADHM O=c1cc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)nc(-c2ccncc2)[n-]1 ZINC000486055072 857388404 /nfs/dbraw/zinc/38/84/04/857388404.db2.gz XPYRXQUIFHQYIV-DAFODLJHSA-N -1 3 375.819 3.841 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3cccc4ncccc43)c2C)s1 ZINC000520921753 857406935 /nfs/dbraw/zinc/40/69/35/857406935.db2.gz CATMIXXEQBPRTN-UHFFFAOYSA-N -1 3 393.476 3.570 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)c(=O)[n-]1 ZINC000907371461 857608912 /nfs/dbraw/zinc/60/89/12/857608912.db2.gz YNHOEMFBVYBZEZ-OAHLLOKOSA-N -1 3 394.519 3.700 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000675823031 857615524 /nfs/dbraw/zinc/61/55/24/857615524.db2.gz JBKYBVQACHFDMW-WMZOPIPTSA-N -1 3 375.266 3.684 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000063442326 857618608 /nfs/dbraw/zinc/61/86/08/857618608.db2.gz FJWUZNGGQJJKFA-UHFFFAOYSA-N -1 3 389.395 3.922 20 0 GHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCCO1 ZINC000675827230 857627700 /nfs/dbraw/zinc/62/77/00/857627700.db2.gz NKAOGWUNYKOLIM-OAHLLOKOSA-N -1 3 385.302 3.549 20 0 GHADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000063629296 857636226 /nfs/dbraw/zinc/63/62/26/857636226.db2.gz ZKHMYNWOQHBAJS-UHFFFAOYSA-N -1 3 375.277 3.656 20 0 GHADHM C[C@@H](NCc1ncccc1[O-])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000521115336 857636771 /nfs/dbraw/zinc/63/67/71/857636771.db2.gz YWZDPZHJNBSHED-OAHLLOKOSA-N -1 3 379.435 3.958 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000181601108 862935714 /nfs/dbraw/zinc/93/57/14/862935714.db2.gz RVDPAGIZLVHGMB-FZMZJTMJSA-N -1 3 378.302 3.863 20 0 GHADHM Cc1ccccc1NC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000058861323 857666125 /nfs/dbraw/zinc/66/61/25/857666125.db2.gz HECXYMOHWCSRCN-UHFFFAOYSA-N -1 3 382.645 3.877 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063912010 857671679 /nfs/dbraw/zinc/67/16/79/857671679.db2.gz FIQQKLNVDBCSIN-UHFFFAOYSA-N -1 3 393.358 3.671 20 0 GHADHM O=C([O-])[C@H]1CN(CCOc2ccc(OC(F)(F)F)cc2)Cc2ccccc21 ZINC000593743866 857673705 /nfs/dbraw/zinc/67/37/05/857673705.db2.gz JGJUJTIWUNPIFA-KRWDZBQOSA-N -1 3 381.350 3.648 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)c3ccc4c(c3)OCO4)cc2)cc(=O)[n-]1 ZINC000574330581 857706890 /nfs/dbraw/zinc/70/68/90/857706890.db2.gz WIISYELQEPVOFV-UHFFFAOYSA-N -1 3 378.388 3.555 20 0 GHADHM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000574332061 857707822 /nfs/dbraw/zinc/70/78/22/857707822.db2.gz OCMRGGYIKFVLFZ-OAHLLOKOSA-N -1 3 391.851 3.579 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000521200267 857727481 /nfs/dbraw/zinc/72/74/81/857727481.db2.gz HIKPSSWAPKJJRO-UHFFFAOYSA-N -1 3 395.503 3.971 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000070731177 857735035 /nfs/dbraw/zinc/73/50/35/857735035.db2.gz UQOBMYKGMOIMSV-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000070731177 857735043 /nfs/dbraw/zinc/73/50/43/857735043.db2.gz UQOBMYKGMOIMSV-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030376002 857748789 /nfs/dbraw/zinc/74/87/89/857748789.db2.gz JTHAXSCQAJNXQJ-XJKSGUPXSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)NC(=O)c1cc(Br)cnc1Nc1cc(F)cc(F)c1[O-] ZINC001212482023 857799612 /nfs/dbraw/zinc/79/96/12/857799612.db2.gz WNNIILLESMLVRR-UHFFFAOYSA-N -1 3 386.196 3.710 20 0 GHADHM CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001129201571 857811325 /nfs/dbraw/zinc/81/13/25/857811325.db2.gz QROXCKUHNDNRCJ-FQEVSTJZSA-N -1 3 398.544 3.943 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486559999 857859887 /nfs/dbraw/zinc/85/98/87/857859887.db2.gz AKPNOFBOEJGJPA-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n[nH]1 ZINC000486638626 857929821 /nfs/dbraw/zinc/92/98/21/857929821.db2.gz SDTPAJJHZVHQCZ-PSASIEDQSA-N -1 3 391.324 3.973 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1cnccc1C(F)(F)F ZINC000442752713 858111343 /nfs/dbraw/zinc/11/13/43/858111343.db2.gz TVGXZNWTTPSOBI-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cnccc1C(F)(F)F ZINC000442754020 858112469 /nfs/dbraw/zinc/11/24/69/858112469.db2.gz WTXFGRLFIADCBW-QGZVFWFLSA-N -1 3 393.390 3.563 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1c(C)noc1C ZINC000544348595 858117717 /nfs/dbraw/zinc/11/77/17/858117717.db2.gz JDTAJPICVAZKDF-NSHDSACASA-N -1 3 391.262 3.623 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)Sc1ccccc1 ZINC000442769846 858129213 /nfs/dbraw/zinc/12/92/13/858129213.db2.gz OHVKWLSQNSBGIE-LLVKDONJSA-N -1 3 376.425 3.560 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594399702 858130885 /nfs/dbraw/zinc/13/08/85/858130885.db2.gz PENJXLNCOWTRJH-VHDGCEQUSA-N -1 3 379.472 3.583 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000521639705 858187893 /nfs/dbraw/zinc/18/78/93/858187893.db2.gz BPHFYMYBUWCZLJ-KRWDZBQOSA-N -1 3 379.460 3.717 20 0 GHADHM O=S(=O)([N-]CCCSc1ccc(F)cc1)c1cnccc1C(F)(F)F ZINC000442915611 858222251 /nfs/dbraw/zinc/22/22/51/858222251.db2.gz XSPDFXMFLIGFOP-UHFFFAOYSA-N -1 3 394.415 3.700 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1cnccc1C(F)(F)F ZINC000442901472 858228065 /nfs/dbraw/zinc/22/80/65/858228065.db2.gz KHQRNXQFZSTLKX-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ccc3ccoc3c2)cc1 ZINC000442919668 858244628 /nfs/dbraw/zinc/24/46/28/858244628.db2.gz GLQISHYETMRCOL-UHFFFAOYSA-N -1 3 388.445 3.600 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(I)cc2)[C@@H]2CCCC[C@@H]12 ZINC000594733737 858267585 /nfs/dbraw/zinc/26/75/85/858267585.db2.gz DRXDBIXBLBZWDE-ARFHVFGLSA-N -1 3 399.272 3.757 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 ZINC000594775688 858278308 /nfs/dbraw/zinc/27/83/08/858278308.db2.gz XARJVNXHISCETB-UHFFFAOYSA-N -1 3 387.288 3.689 20 0 GHADHM C[C@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000733522341 863004532 /nfs/dbraw/zinc/00/45/32/863004532.db2.gz JNFZCGNZWGZSNX-LLVKDONJSA-N -1 3 399.390 3.760 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1oc2ccccc2c1C ZINC000443009970 858309069 /nfs/dbraw/zinc/30/90/69/858309069.db2.gz DPWFIZJNROJFIQ-LBPRGKRZSA-N -1 3 391.420 3.706 20 0 GHADHM CO[C@H](C)CS(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000443029599 858319896 /nfs/dbraw/zinc/31/98/96/858319896.db2.gz XMZBGDFOVXWXOW-OAHLLOKOSA-N -1 3 399.557 3.621 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2cccc([O-])c2F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000574857424 858394463 /nfs/dbraw/zinc/39/44/63/858394463.db2.gz MACDPXFUWDWQHL-QGHHPUGFSA-N -1 3 397.233 3.996 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000522012744 858525444 /nfs/dbraw/zinc/52/54/44/858525444.db2.gz UWGYGJASJWBPSX-NSHDSACASA-N -1 3 388.880 3.905 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000522004436 858529559 /nfs/dbraw/zinc/52/95/59/858529559.db2.gz XWIPQBOJWLLCKL-UHFFFAOYSA-N -1 3 378.222 3.765 20 0 GHADHM COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc(Cl)c1[O-] ZINC000443283431 858534228 /nfs/dbraw/zinc/53/42/28/858534228.db2.gz MLSBUVCQRHBNPW-UHFFFAOYSA-N -1 3 396.628 3.945 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000522009705 858534407 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CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1 ZINC000067899523 858771583 /nfs/dbraw/zinc/77/15/83/858771583.db2.gz BEIIRMJXVXGPQQ-UHFFFAOYSA-N -1 3 378.519 3.741 20 0 GHADHM CC[C@H](C)C[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000901680813 858783335 /nfs/dbraw/zinc/78/33/35/858783335.db2.gz HHSQDLFTWCYJCD-GZMMTYOYSA-N -1 3 394.107 3.586 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000443488500 858821519 /nfs/dbraw/zinc/82/15/19/858821519.db2.gz LWHQFSULKOCAFS-UHFFFAOYSA-N -1 3 384.295 3.558 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2cccc(OCc3ccccc3F)c2)n[n-]1 ZINC000895233532 858824053 /nfs/dbraw/zinc/82/40/53/858824053.db2.gz DKRIZXATCWTTLY-CQSZACIVSA-N -1 3 398.438 3.550 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2cccc(OCc3ccccc3F)c2)[n-]1 ZINC000895233532 858824064 /nfs/dbraw/zinc/82/40/64/858824064.db2.gz DKRIZXATCWTTLY-CQSZACIVSA-N -1 3 398.438 3.550 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c(C)c1 ZINC000033566009 858826955 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C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000483096794 859134708 /nfs/dbraw/zinc/13/47/08/859134708.db2.gz KVCLFIDMUNTWTK-XTWCZFFVSA-N -1 3 387.793 3.673 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000466338325 859151112 /nfs/dbraw/zinc/15/11/12/859151112.db2.gz SGKNGSBUCJEULY-UHFFFAOYSA-N -1 3 375.425 3.519 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccnc(Cl)c1F ZINC000764149306 859230925 /nfs/dbraw/zinc/23/09/25/859230925.db2.gz GWKKLYHXWOVQMS-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C([O-])C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccs1 ZINC000319956502 859318650 /nfs/dbraw/zinc/31/86/50/859318650.db2.gz HTVNULBECMWZJL-LBPRGKRZSA-N -1 3 398.278 3.587 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000923469788 859347819 /nfs/dbraw/zinc/34/78/19/859347819.db2.gz YIMYDKSEJKPTQQ-QHCPKHFHSA-N -1 3 380.488 3.797 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000483549790 859443307 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C[C@@H](CC(=O)[N-]OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000764610291 859532478 /nfs/dbraw/zinc/53/24/78/859532478.db2.gz XZPYRLKJBKSZSF-INIZCTEOSA-N -1 3 376.497 3.908 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000483717368 859557120 /nfs/dbraw/zinc/55/71/20/859557120.db2.gz AHGUPRPQZFEOJJ-UHFFFAOYSA-N -1 3 385.786 3.992 20 0 GHADHM COc1ccc2oc([C@H](C)N/C=C3\C(=O)[N-]C(=O)c4ccccc43)c(C)c2c1 ZINC000730203208 859597335 /nfs/dbraw/zinc/59/73/35/859597335.db2.gz JJYXVVJSIKNKKN-FHNWIRHTSA-N -1 3 376.412 3.712 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])s2)o1 ZINC000673506056 859614815 /nfs/dbraw/zinc/61/48/15/859614815.db2.gz ZLEJTKQEAXTYQZ-CHWSQXEVSA-N -1 3 399.472 3.810 20 0 GHADHM O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Br)cc1[O-] ZINC000125987185 859627961 /nfs/dbraw/zinc/62/79/61/859627961.db2.gz QIGSHGBTWBDNTF-UHFFFAOYSA-N -1 3 394.250 3.838 20 0 GHADHM C[C@H](c1ccncc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000543431362 859694859 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GHADHM CCCCCc1nnc([N-]C(=O)c2sc(-c3cnn(C)c3)nc2C)s1 ZINC000115002847 860037894 /nfs/dbraw/zinc/03/78/94/860037894.db2.gz STXXBXKHGPIYKV-UHFFFAOYSA-N -1 3 376.511 3.689 20 0 GHADHM O=C(Cc1cc(Cl)cc2c1OCC2)NCc1ccc([O-])c(Br)c1 ZINC000542650421 860041997 /nfs/dbraw/zinc/04/19/97/860041997.db2.gz SVDUIODNQSRPEC-UHFFFAOYSA-N -1 3 396.668 3.602 20 0 GHADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000727352171 860049598 /nfs/dbraw/zinc/04/95/98/860049598.db2.gz DTAXZUNGKYJIKQ-QBFSEMIESA-N -1 3 376.865 3.879 20 0 GHADHM Cc1ccc(C)c(Oc2cccc(Cl)c2CN[C@H](CCO)C(=O)[O-])c1C ZINC000904052757 860072596 /nfs/dbraw/zinc/07/25/96/860072596.db2.gz IOYWDSUTELPHEB-QGZVFWFLSA-N -1 3 377.868 3.983 20 0 GHADHM CN(C)C[C@H](NCc1c(Cl)cccc1OCc1ccccc1Cl)C(=O)[O-] ZINC000904058030 860078756 /nfs/dbraw/zinc/07/87/56/860078756.db2.gz GVACZZIJJZPUBO-KRWDZBQOSA-N -1 3 397.302 3.677 20 0 GHADHM O=C([O-])C[C@H](Cc1cc(F)c(F)cc1F)NCc1ccc(Br)o1 ZINC000904062373 860083939 /nfs/dbraw/zinc/08/39/39/860083939.db2.gz JKXFEIGVZOTMEU-VIFPVBQESA-N -1 3 392.171 3.635 20 0 GHADHM O=C([O-])CC[C@H](NCc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000904072136 860097898 /nfs/dbraw/zinc/09/78/98/860097898.db2.gz BADOYCPOCAPTQW-KRWDZBQOSA-N -1 3 392.297 3.751 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc([O-])c2ccccc2c1 ZINC000525920349 860134006 /nfs/dbraw/zinc/13/40/06/860134006.db2.gz NBRWLTMGGPAONR-QGZVFWFLSA-N -1 3 380.831 3.734 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2NC(C)C)[n-]1 ZINC000598235751 860160285 /nfs/dbraw/zinc/16/02/85/860160285.db2.gz VJKAGAJAVILPLU-UHFFFAOYSA-N -1 3 380.242 3.636 20 0 GHADHM COc1cc(CC2CN(C(=O)c3cc([O-])c4ccccc4c3)C2)cc(OC)c1 ZINC000526927266 860163390 /nfs/dbraw/zinc/16/33/90/860163390.db2.gz QLSNJEQCDOBLHS-UHFFFAOYSA-N -1 3 377.440 3.877 20 0 GHADHM C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527475147 860181590 /nfs/dbraw/zinc/18/15/90/860181590.db2.gz FVGNSEONIJAUPR-XDHUDOTRSA-N -1 3 391.467 3.728 20 0 GHADHM C[C@@H](C1CC1)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000602744441 860233095 /nfs/dbraw/zinc/23/30/95/860233095.db2.gz PWYFFHSZUJJZLQ-JTQLQIEISA-N -1 3 375.266 3.694 20 0 GHADHM O=c1[n-]c(CN[C@@H](CO)c2cccc(Cl)c2F)nc2c3ccccc3oc21 ZINC000499939555 860235491 /nfs/dbraw/zinc/23/54/91/860235491.db2.gz MQBITYRBGGIPEN-ZDUSSCGKSA-N -1 3 387.798 3.697 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904216769 860236590 /nfs/dbraw/zinc/23/65/90/860236590.db2.gz BXANGGPDVDQREQ-XLIONFOSSA-N -1 3 397.519 3.506 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H]1c1ccccc1 ZINC000602753337 860257058 /nfs/dbraw/zinc/25/70/58/860257058.db2.gz IZRWPLVPODDPQR-QGZVFWFLSA-N -1 3 383.245 3.878 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(Cl)c1 ZINC000673589636 860300392 /nfs/dbraw/zinc/30/03/92/860300392.db2.gz LQBYKMYLUQJLTC-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM CC(C)(C)OC(=O)[C@](C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000598507196 860368080 /nfs/dbraw/zinc/36/80/80/860368080.db2.gz RVWBFEGMIABFEJ-HSZRJFAPSA-N -1 3 392.455 3.515 20 0 GHADHM CCOc1ccc(Br)c(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1F ZINC000904377767 860393977 /nfs/dbraw/zinc/39/39/77/860393977.db2.gz YKYBBJSPUFDBBD-UHFFFAOYSA-N -1 3 385.237 3.586 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000006436359 860396426 /nfs/dbraw/zinc/39/64/26/860396426.db2.gz XEZFVPBEWAIDMT-RDTXWAMCSA-N -1 3 390.480 3.935 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603042539 860454620 /nfs/dbraw/zinc/45/46/20/860454620.db2.gz JPKJAILEFHVXQU-UWVGGRQHSA-N -1 3 384.855 3.659 20 0 GHADHM CCS[C@H]1CCC[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603043762 860454760 /nfs/dbraw/zinc/45/47/60/860454760.db2.gz PHIVWFSMSWQWRP-UWVGGRQHSA-N -1 3 384.855 3.707 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C ZINC000603166933 860524368 /nfs/dbraw/zinc/52/43/68/860524368.db2.gz FRXNATGJQCQIIZ-UHFFFAOYSA-N -1 3 391.489 3.610 20 0 GHADHM CCCCc1nc(NC(=O)CSc2ccc(F)c(F)c2)c(C(=O)OCC)[n-]1 ZINC001127966790 860536028 /nfs/dbraw/zinc/53/60/28/860536028.db2.gz RJPYAHFOUPBMLG-UHFFFAOYSA-N -1 3 397.447 3.938 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000125447145 860671655 /nfs/dbraw/zinc/67/16/55/860671655.db2.gz RNMRNZHBHYDEMQ-CQSZACIVSA-N -1 3 393.484 3.749 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000158822818 860750366 /nfs/dbraw/zinc/75/03/66/860750366.db2.gz XYSUOEPNQLWVHK-FQEVSTJZSA-N -1 3 392.499 3.577 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000489799354 860756217 /nfs/dbraw/zinc/75/62/17/860756217.db2.gz DDZFQCBKTVSWBN-CHWSQXEVSA-N -1 3 384.432 3.516 20 0 GHADHM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCOCC1)c1ccc(Cl)s1 ZINC000555413554 860839454 /nfs/dbraw/zinc/83/94/54/860839454.db2.gz SBVNLQWNCBMFPR-UHFFFAOYSA-N -1 3 389.901 3.611 20 0 GHADHM C[C@H]1Sc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2NC1=O ZINC000176432348 860873418 /nfs/dbraw/zinc/87/34/18/860873418.db2.gz YHAAVUQYJFPQOQ-MRVPVSSYSA-N -1 3 393.262 3.840 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500639 860928522 /nfs/dbraw/zinc/92/85/22/860928522.db2.gz MDNJZFXSIBBJDF-UHFFFAOYSA-N -1 3 398.532 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C4OCCO4)cc3)c2)n1 ZINC001125149845 860947755 /nfs/dbraw/zinc/94/77/55/860947755.db2.gz DVNTWOMWOZJHCA-UHFFFAOYSA-N -1 3 391.427 3.709 20 0 GHADHM C[C@@H]1CCc2c(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)csc2C1 ZINC000623495386 861118982 /nfs/dbraw/zinc/11/89/82/861118982.db2.gz UMWREHKHFVDVHC-CQSZACIVSA-N -1 3 398.528 3.613 20 0 GHADHM O=[S@](Cc1cc2c(cc1Br)OCCCO2)c1ccc([O-])cc1 ZINC000182275008 863171405 /nfs/dbraw/zinc/17/14/05/863171405.db2.gz AWZRTVAZYPDFAJ-JOCHJYFZSA-N -1 3 383.263 3.624 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(OC2CCCC2)c1 ZINC000605613977 863197141 /nfs/dbraw/zinc/19/71/41/863197141.db2.gz ZGUKIJPJSHIRLE-UHFFFAOYSA-N -1 3 379.453 3.968 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(F)c(Cl)c1 ZINC000605615221 863198380 /nfs/dbraw/zinc/19/83/80/863198380.db2.gz VFHHCZZAKGHKGV-QZTJIDSGSA-N -1 3 399.871 3.962 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000605675496 863256440 /nfs/dbraw/zinc/25/64/40/863256440.db2.gz BZXZZWPDDMVUEA-SFHVURJKSA-N -1 3 381.501 3.812 20 0 GHADHM O=C1[C@H](SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCN1C1CC1 ZINC000482525771 863267896 /nfs/dbraw/zinc/26/78/96/863267896.db2.gz AQFXAXVPPJDEDX-CYBMUJFWSA-N -1 3 387.486 3.653 20 0 GHADHM CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC000281693143 863329158 /nfs/dbraw/zinc/32/91/58/863329158.db2.gz QAGPPZKMNQAFKL-RCDICMHDSA-N -1 3 382.460 3.524 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000120641541 881650481 /nfs/dbraw/zinc/65/04/81/881650481.db2.gz ZIWURQSZVGCSTO-CYBMUJFWSA-N -1 3 399.516 3.880 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000281794471 863380586 /nfs/dbraw/zinc/38/05/86/863380586.db2.gz SLVQIEWOOSDUBW-UHFFFAOYSA-N -1 3 399.438 3.582 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC000522815273 863439355 /nfs/dbraw/zinc/43/93/55/863439355.db2.gz GHMDFEQBLQRZIN-GOSISDBHSA-N -1 3 390.277 3.931 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000606627819 863722041 /nfs/dbraw/zinc/72/20/41/863722041.db2.gz FDOBKXFXXWKFRD-KRWDZBQOSA-N -1 3 388.830 3.507 20 0 GHADHM CC12CC(C1)CN2C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000621216668 863880646 /nfs/dbraw/zinc/88/06/46/863880646.db2.gz WPNCYSXKHMXFBN-UHFFFAOYSA-N -1 3 381.657 3.569 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)nc2)cc1 ZINC000733923338 863881824 /nfs/dbraw/zinc/88/18/24/863881824.db2.gz FEEICGGLCKAZKO-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000103187466 863906950 /nfs/dbraw/zinc/90/69/50/863906950.db2.gz WIVOHKYGEDMSKD-UHFFFAOYSA-N -1 3 388.431 3.617 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(F)cc3F)c2)n1 ZINC000158692816 863917284 /nfs/dbraw/zinc/91/72/84/863917284.db2.gz KQTBAJVVUXUSOG-UHFFFAOYSA-N -1 3 383.398 3.849 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000042862962 864056063 /nfs/dbraw/zinc/05/60/63/864056063.db2.gz SUDMJENABQWAAL-UHFFFAOYSA-N -1 3 379.888 3.738 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000607169713 864130842 /nfs/dbraw/zinc/13/08/42/864130842.db2.gz LXUZPJCHNBZDPS-ZIAGYGMSSA-N -1 3 383.514 3.547 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000480230947 864312862 /nfs/dbraw/zinc/31/28/62/864312862.db2.gz VUXILDPSQSHWAM-UHFFFAOYSA-N -1 3 386.832 3.637 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[N-]c3nc4ccccn4n3)cc12 ZINC000132858122 881757589 /nfs/dbraw/zinc/75/75/89/881757589.db2.gz ZABSFXKPEJZIIH-UHFFFAOYSA-N -1 3 392.419 3.830 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Cl)nc1Cl ZINC000734847478 864474342 /nfs/dbraw/zinc/47/43/42/864474342.db2.gz KOISYMNHFJEJOZ-XCBNKYQSSA-N -1 3 379.215 3.501 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(O[C@@H]2CCOC2)c1 ZINC000621911436 864574137 /nfs/dbraw/zinc/57/41/37/864574137.db2.gz BWLBCJCNWJEGFX-QGZVFWFLSA-N -1 3 395.377 3.817 20 0 GHADHM C[C@H](Cc1ccccc1F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000163948242 864581314 /nfs/dbraw/zinc/58/13/14/864581314.db2.gz JXMOMKBDGFRQBV-LLVKDONJSA-N -1 3 381.245 3.724 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cn2)c1C ZINC000607652484 864586891 /nfs/dbraw/zinc/58/68/91/864586891.db2.gz QQIKXWSXPUMNGB-UHFFFAOYSA-N -1 3 387.395 3.627 20 0 GHADHM COc1c(F)cc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000164273721 864604344 /nfs/dbraw/zinc/60/43/44/864604344.db2.gz SMSHMTYOJBMKLQ-UHFFFAOYSA-N -1 3 387.180 3.763 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)cc1Cl ZINC000104732274 864604638 /nfs/dbraw/zinc/60/46/38/864604638.db2.gz JLDLTNLGZLHXPN-UHFFFAOYSA-N -1 3 378.897 3.931 20 0 GHADHM COc1ccc(Cn2nc(C)c(CN[C@@H](CC(=O)[O-])c3cccs3)c2C)cc1 ZINC000671162329 864688920 /nfs/dbraw/zinc/68/89/20/864688920.db2.gz WYDLFZXCSCEBCR-IBGZPJMESA-N -1 3 399.516 3.924 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000735263413 864707117 /nfs/dbraw/zinc/70/71/17/864707117.db2.gz VLHWGLLDSKQCCD-MRXNPFEDSA-N -1 3 384.517 3.553 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C)c2ccc(F)cc2)cc1 ZINC000920153970 881797933 /nfs/dbraw/zinc/79/79/33/881797933.db2.gz FZAPJMFAISTEQL-CQSZACIVSA-N -1 3 395.452 3.659 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)/C=C\c2ccccc2Cl)CCCC1 ZINC000735502070 864817565 /nfs/dbraw/zinc/81/75/65/864817565.db2.gz DKVHDCPBHGZOQJ-RAXLEYEMSA-N -1 3 385.913 3.885 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)C2CC2)n1 ZINC000608033792 864936797 /nfs/dbraw/zinc/93/67/97/864936797.db2.gz QXKYNOOHUUVXGM-QGZVFWFLSA-N -1 3 389.502 3.677 20 0 GHADHM CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C(C)(C)C ZINC000453873658 881819983 /nfs/dbraw/zinc/81/99/83/881819983.db2.gz HLMVUISMYSRRIF-KRWDZBQOSA-N -1 3 398.507 3.681 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1nc(C(C)(C)C)no1 ZINC000608050055 864976902 /nfs/dbraw/zinc/97/69/02/864976902.db2.gz QXVXESHRTKRUOM-CYBMUJFWSA-N -1 3 397.500 3.978 20 0 GHADHM O=C(NCCOc1ncc(Cl)cc1Cl)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622441816 864992548 /nfs/dbraw/zinc/99/25/48/864992548.db2.gz QYQFLUFMHMLFEL-UHFFFAOYSA-N -1 3 395.164 3.922 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(COC(C)C)cc3)cc2)n1 ZINC000523034092 865068664 /nfs/dbraw/zinc/06/86/64/865068664.db2.gz FWXIQKQBZDAMCC-UHFFFAOYSA-N -1 3 377.444 3.923 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000736543096 865236390 /nfs/dbraw/zinc/23/63/90/865236390.db2.gz BAFICPYLFAVLDV-MRXNPFEDSA-N -1 3 388.533 3.837 20 0 GHADHM C[C@H]1CN(c2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2)CCO1 ZINC000736722485 865268615 /nfs/dbraw/zinc/26/86/15/865268615.db2.gz VKZLPKJLXZDYBU-AWEZNQCLSA-N -1 3 382.460 3.583 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc21 ZINC000920178724 881854645 /nfs/dbraw/zinc/85/46/45/881854645.db2.gz UTPARJYGZLFTTD-MOSHPQCFSA-N -1 3 390.389 3.955 20 0 GHADHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)C(F)(F)C1CCOCC1 ZINC000842237057 865371798 /nfs/dbraw/zinc/37/17/98/865371798.db2.gz SRVWNFYIVVNHFU-UHFFFAOYSA-N -1 3 391.168 3.698 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1Cl ZINC000174053276 865376139 /nfs/dbraw/zinc/37/61/39/865376139.db2.gz ZOHACLLYNSGSLM-UHFFFAOYSA-N -1 3 394.301 3.506 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4n3CCCCC4)c2)n1 ZINC000622784959 865378854 /nfs/dbraw/zinc/37/88/54/865378854.db2.gz XVWABUDVVVQDBH-UHFFFAOYSA-N -1 3 377.448 3.587 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4ccccc4OC)C3)nc2)n1 ZINC000301611269 865455068 /nfs/dbraw/zinc/45/50/68/865455068.db2.gz RDPXQOVAPULFIG-KRWDZBQOSA-N -1 3 391.475 3.506 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2cccc(F)c2)nc1)c1cccnc1Cl ZINC000738365567 865547810 /nfs/dbraw/zinc/54/78/10/865547810.db2.gz KVZXSMNRUGSGPG-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM O=C(COC(=O)C1(c2cccs2)CCCCC1)[N-]C(=O)c1cccs1 ZINC000738702591 865606613 /nfs/dbraw/zinc/60/66/13/865606613.db2.gz MLDUJNPYWNHWAJ-UHFFFAOYSA-N -1 3 377.487 3.511 20 0 GHADHM COC(=O)c1cnc(SCc2ncc(-c3cccc(Br)c3)o2)[n-]1 ZINC000193553816 881890645 /nfs/dbraw/zinc/89/06/45/881890645.db2.gz XCXLZJAWUPQNHV-UHFFFAOYSA-N -1 3 394.250 3.906 20 0 GHADHM Cc1nc(-c2ccc(N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)nc2)[n-]c(=O)c1C ZINC000555203618 865702514 /nfs/dbraw/zinc/70/25/14/865702514.db2.gz ANZNWIHZDIEEML-GOSISDBHSA-N -1 3 396.413 3.797 20 0 GHADHM O=C(Nc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1)NC1CC1 ZINC000622891088 865703267 /nfs/dbraw/zinc/70/32/67/865703267.db2.gz FDHUMWYRHCCNJG-UHFFFAOYSA-N -1 3 395.850 3.688 20 0 GHADHM Cc1nn(C(F)F)c(C)c1CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622891016 865704027 /nfs/dbraw/zinc/70/40/27/865704027.db2.gz AFPWQTLMHZPZIR-UHFFFAOYSA-N -1 3 379.798 3.542 20 0 GHADHM COc1cc(Br)c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1OC ZINC000629373420 865852739 /nfs/dbraw/zinc/85/27/39/865852739.db2.gz LYMBFXJOOIHFFH-YDHLFZDLSA-N -1 3 398.297 3.542 20 0 GHADHM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC000174875919 865950924 /nfs/dbraw/zinc/95/09/24/865950924.db2.gz RLULERGMKIMBAC-AWEZNQCLSA-N -1 3 396.871 3.675 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](O)c3ccccc3Cl)cc2)cc(=O)[n-]1 ZINC000740901299 866090684 /nfs/dbraw/zinc/09/06/84/866090684.db2.gz WUWQNQSDSHYRIP-GOSISDBHSA-N -1 3 398.850 3.666 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000176538512 881943990 /nfs/dbraw/zinc/94/39/90/881943990.db2.gz PLDBIUMJUWWAMO-IBGZPJMESA-N -1 3 384.407 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(Br)cc1Cl ZINC000475528736 866201295 /nfs/dbraw/zinc/20/12/95/866201295.db2.gz PFDGAGDCVHXEEE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(Br)cc1Cl ZINC000475528736 866201312 /nfs/dbraw/zinc/20/13/12/866201312.db2.gz PFDGAGDCVHXEEE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc([C@@H]3CCOC3)c2)[nH][n-]1 ZINC000534213578 866308986 /nfs/dbraw/zinc/30/89/86/866308986.db2.gz OKOVAFBODGRCSR-OAHLLOKOSA-N -1 3 397.862 3.917 20 0 GHADHM CC(C)[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000620043072 866312368 /nfs/dbraw/zinc/31/23/68/866312368.db2.gz WBJGPSFORZPUJX-IFMALSPDSA-N -1 3 380.488 3.804 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)ccc1OC(C)C ZINC000614787206 866359170 /nfs/dbraw/zinc/35/91/70/866359170.db2.gz YRFAJZFYWNMEJP-UHFFFAOYSA-N -1 3 385.489 3.828 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000456338901 866451797 /nfs/dbraw/zinc/45/17/97/866451797.db2.gz OMRLFDKYSUVQRT-AWEZNQCLSA-N -1 3 376.859 3.779 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccc(Cl)cc1 ZINC000534278137 866497139 /nfs/dbraw/zinc/49/71/39/866497139.db2.gz OROKSSKQHQQXDJ-HNNXBMFYSA-N -1 3 397.700 3.841 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000478777387 866619191 /nfs/dbraw/zinc/61/91/91/866619191.db2.gz ZDIWSNGHZXSTQG-KGLIPLIRSA-N -1 3 383.407 3.717 20 0 GHADHM CC(C)CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000620281184 866635287 /nfs/dbraw/zinc/63/52/87/866635287.db2.gz NQDWLJFDRCFERW-UHFFFAOYSA-N -1 3 390.480 3.935 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000741610653 866659963 /nfs/dbraw/zinc/65/99/63/866659963.db2.gz LWOVBCJMTDKNQF-KBPBESRZSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCCCO4)cc2)cc(=O)[n-]1 ZINC000620344479 866673287 /nfs/dbraw/zinc/67/32/87/866673287.db2.gz DFUDTINTFUMZKY-UHFFFAOYSA-N -1 3 392.415 3.963 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2)C[C@@H](C)O1 ZINC000741652979 866695934 /nfs/dbraw/zinc/69/59/34/866695934.db2.gz KXYAGVXWQAOLEY-HZPDHXFCSA-N -1 3 397.500 3.649 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1)N1CCOCC1 ZINC000534401213 866719262 /nfs/dbraw/zinc/71/92/62/866719262.db2.gz LIEHLDRKEBTTST-CYBMUJFWSA-N -1 3 398.887 3.673 20 0 GHADHM CCOc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1OC ZINC000741750243 866773026 /nfs/dbraw/zinc/77/30/26/866773026.db2.gz FVONBNGFKAZDBA-UHFFFAOYSA-N -1 3 380.400 3.784 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cc(C(C)C)no2)c(Br)cc1F ZINC000610182761 882013056 /nfs/dbraw/zinc/01/30/56/882013056.db2.gz PUXQOHWHUTVNCC-UHFFFAOYSA-N -1 3 385.189 3.739 20 0 GHADHM COC(=O)C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000741792908 866798911 /nfs/dbraw/zinc/79/89/11/866798911.db2.gz KNHQLUTUNIBHEL-ZDUSSCGKSA-N -1 3 389.411 3.749 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](c4ccccc4C)C3)cc(=O)oc2cc1[O-] ZINC000741802528 866825046 /nfs/dbraw/zinc/82/50/46/866825046.db2.gz ZAGSODQEVYTRKD-QFIPXVFZSA-N -1 3 379.456 3.943 20 0 GHADHM CCc1cc2c(CN3CCO[C@@H](c4ccccc4C)C3)cc(=O)oc2cc1[O-] ZINC000741802527 866825995 /nfs/dbraw/zinc/82/59/95/866825995.db2.gz ZAGSODQEVYTRKD-JOCHJYFZSA-N -1 3 379.456 3.943 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)s2)cc(OC)c1[O-] ZINC000444540395 866878347 /nfs/dbraw/zinc/87/83/47/866878347.db2.gz GNFUVIYQUIHOPV-QMMMGPOBSA-N -1 3 386.267 3.724 20 0 GHADHM CCc1nc(C(=O)[N-]c2c(C)noc2C)nn1-c1c(Cl)cccc1Cl ZINC000523317429 867030577 /nfs/dbraw/zinc/03/05/77/867030577.db2.gz WVWSKUQEQYOAJC-UHFFFAOYSA-N -1 3 380.235 3.994 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000153813580 867092712 /nfs/dbraw/zinc/09/27/12/867092712.db2.gz QPHUERXGLJOODT-CQSZACIVSA-N -1 3 377.444 3.510 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000742307249 867191611 /nfs/dbraw/zinc/19/16/11/867191611.db2.gz JJSGIIWKZFZTFG-UHFFFAOYSA-N -1 3 382.707 3.578 20 0 GHADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000742342927 867241650 /nfs/dbraw/zinc/24/16/50/867241650.db2.gz VDYCRMJOBRNHRQ-UHFFFAOYSA-N -1 3 397.324 3.569 20 0 GHADHM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523424955 867265445 /nfs/dbraw/zinc/26/54/45/867265445.db2.gz XSBWFACJXUBEMD-KRWDZBQOSA-N -1 3 392.858 3.646 20 0 GHADHM COc1ccc(-c2nc(C(=O)NCc3ccc([O-])c(F)c3)cs2)cc1OC ZINC000523424676 867265819 /nfs/dbraw/zinc/26/58/19/867265819.db2.gz JANOIQWDWFAGAF-UHFFFAOYSA-N -1 3 388.420 3.602 20 0 GHADHM COc1ccc(C2(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)CCC2)cc1 ZINC000523419943 867287663 /nfs/dbraw/zinc/28/76/63/867287663.db2.gz INLHXVRTTTYYEV-UHFFFAOYSA-N -1 3 389.455 3.814 20 0 GHADHM O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1cc([O-])ccc1Cl ZINC000620761482 867290051 /nfs/dbraw/zinc/29/00/51/867290051.db2.gz MNSZECYIYBCSKP-KRWDZBQOSA-N -1 3 375.852 3.671 20 0 GHADHM O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000190049173 882077311 /nfs/dbraw/zinc/07/73/11/882077311.db2.gz GQJNPYLXJYPZFS-UHFFFAOYSA-N -1 3 388.471 3.652 20 0 GHADHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1nnc2ccccc2c1[O-] ZINC000742756563 867529891 /nfs/dbraw/zinc/52/98/91/867529891.db2.gz OIOMIUOCUJBURC-GFCCVEGCSA-N -1 3 376.199 3.506 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000742802846 867586516 /nfs/dbraw/zinc/58/65/16/867586516.db2.gz NPQGXWDGEYYBRW-WMLDXEAASA-N -1 3 384.517 3.553 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC2(CCCC2)C1 ZINC000742878258 867619829 /nfs/dbraw/zinc/61/98/29/867619829.db2.gz IXPGAMKJCRDARI-UHFFFAOYSA-N -1 3 375.266 3.697 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc4c3OCCO4)nc(=O)c2c1C ZINC000743015360 867755999 /nfs/dbraw/zinc/75/59/99/867755999.db2.gz YLEUFFBXIVMYCI-JTQLQIEISA-N -1 3 386.429 3.703 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)sc1C ZINC000155213835 867806680 /nfs/dbraw/zinc/80/66/80/867806680.db2.gz XOHMZPVYEONLDB-UHFFFAOYSA-N -1 3 384.832 3.911 20 0 GHADHM CCc1coc([N-]C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)n1 ZINC000857222262 882122245 /nfs/dbraw/zinc/12/22/45/882122245.db2.gz KEIYBPSAENCLMN-UHFFFAOYSA-N -1 3 390.440 3.592 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1OC ZINC000121478076 882129474 /nfs/dbraw/zinc/12/94/74/882129474.db2.gz ILVPPQAUFYEFSB-UHFFFAOYSA-N -1 3 377.796 3.745 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640297058 882133777 /nfs/dbraw/zinc/13/37/77/882133777.db2.gz TYQPIFISJBLITR-AAEUAGOBSA-N -1 3 396.841 3.626 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000857245929 882139712 /nfs/dbraw/zinc/13/97/12/882139712.db2.gz VBCYKKIKGDKWMO-LJQANCHMSA-N -1 3 379.378 3.577 20 0 GHADHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000457316091 868018036 /nfs/dbraw/zinc/01/80/36/868018036.db2.gz VHEOSTXYLAFDHD-UHFFFAOYSA-N -1 3 383.448 3.808 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000857258982 882151036 /nfs/dbraw/zinc/15/10/36/882151036.db2.gz LLNRXFGFAIKBDP-OAHLLOKOSA-N -1 3 390.480 3.961 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1c(C)cc(OC)c(C)c1C)c2=O ZINC000553736163 868082240 /nfs/dbraw/zinc/08/22/40/868082240.db2.gz ODRXSHGBTFUDFA-UHFFFAOYSA-N -1 3 384.407 3.862 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535072669 868105895 /nfs/dbraw/zinc/10/58/95/868105895.db2.gz INNHKBCXMPBQLD-UHFFFAOYSA-N -1 3 385.533 3.854 20 0 GHADHM CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n2C)cc1 ZINC000155908790 868177815 /nfs/dbraw/zinc/17/78/15/868177815.db2.gz HKUKQXHFUHZLAS-CQSZACIVSA-N -1 3 398.536 3.986 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000535119344 868204746 /nfs/dbraw/zinc/20/47/46/868204746.db2.gz BMLUOOJSOMCWTO-SNVBAGLBSA-N -1 3 377.231 3.606 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)c1[O-] ZINC000445374464 868348107 /nfs/dbraw/zinc/34/81/07/868348107.db2.gz VIEZODHYRLABDP-UHFFFAOYSA-N -1 3 394.214 3.939 20 0 GHADHM Cc1ccc2c(c1)CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000479682278 868360134 /nfs/dbraw/zinc/36/01/34/868360134.db2.gz BERVNDXPMSIXJZ-UHFFFAOYSA-N -1 3 375.266 3.731 20 0 GHADHM C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)C[C@@H](C)O1 ZINC000445469563 868474217 /nfs/dbraw/zinc/47/42/17/868474217.db2.gz BNYNFCXHIJWJGO-ZIAGYGMSSA-N -1 3 383.423 3.858 20 0 GHADHM C[C@H]1CN(Cc2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)C[C@H](C)O1 ZINC000445456504 868490764 /nfs/dbraw/zinc/49/07/64/868490764.db2.gz ONILVYAXMQVRPT-KBPBESRZSA-N -1 3 383.423 3.858 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(C)ccc(F)c3N)nc(=O)c2c1C ZINC000920577388 882205152 /nfs/dbraw/zinc/20/51/52/882205152.db2.gz MGVVJCVXUUDMSS-VIFPVBQESA-N -1 3 375.425 3.961 20 0 GHADHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000621057427 868585346 /nfs/dbraw/zinc/58/53/46/868585346.db2.gz PHXKOZCNGCPNCE-HNNXBMFYSA-N -1 3 390.480 3.745 20 0 GHADHM COc1ccc(-c2ncc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)s2)cc1 ZINC000157306023 868620233 /nfs/dbraw/zinc/62/02/33/868620233.db2.gz XBGINRNUHWDYHL-UHFFFAOYSA-N -1 3 385.836 3.767 20 0 GHADHM COc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc2c1O[C@@H](C)C2 ZINC000744217428 868674222 /nfs/dbraw/zinc/67/42/22/868674222.db2.gz KMDKVYKMPIPLFC-ZDUSSCGKSA-N -1 3 392.411 3.709 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)COc3ccc(F)c(Cl)c3)c2)n1 ZINC000744219061 868674295 /nfs/dbraw/zinc/67/42/95/868674295.db2.gz ZFBNGXQHJXQXPP-UHFFFAOYSA-N -1 3 388.782 3.935 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3Br)cc2[nH]1 ZINC000535394486 868682823 /nfs/dbraw/zinc/68/28/23/868682823.db2.gz DIFJERDUKGHNLR-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)ccc2[nH]1 ZINC000535395476 868685236 /nfs/dbraw/zinc/68/52/36/868685236.db2.gz WHPNVIDJOMOUND-UHFFFAOYSA-N -1 3 385.367 3.613 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000648432884 882220755 /nfs/dbraw/zinc/22/07/55/882220755.db2.gz LCPSJWMKUUKHPG-SUMWQHHRSA-N -1 3 383.801 3.753 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433010 882221018 /nfs/dbraw/zinc/22/10/18/882221018.db2.gz PHPPDCQTWWWOJF-UHFFFAOYSA-N -1 3 380.823 3.835 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)c1ccc(C)o1 ZINC000479945356 868767096 /nfs/dbraw/zinc/76/70/96/868767096.db2.gz AYBOIWFKABHPES-CQSZACIVSA-N -1 3 375.849 3.745 20 0 GHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN([C@H]4C[C@H]4C)C[C@H](C)C3)n2)c1 ZINC000554128432 868769298 /nfs/dbraw/zinc/76/92/98/868769298.db2.gz KGFOWLWTAZNQNS-QKLQHJQFSA-N -1 3 396.535 3.504 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)ccc1C ZINC000157882685 868790288 /nfs/dbraw/zinc/79/02/88/868790288.db2.gz PUBIMGMUAWHGHM-UHFFFAOYSA-N -1 3 376.478 3.932 20 0 GHADHM COc1cc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)cc(OC)c1[O-] ZINC000445652366 868805628 /nfs/dbraw/zinc/80/56/28/868805628.db2.gz ZGYMGCFXIBHTDQ-UHFFFAOYSA-N -1 3 398.806 3.966 20 0 GHADHM Cc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)sc2nccc(C)c12 ZINC000648433529 882233572 /nfs/dbraw/zinc/23/35/72/882233572.db2.gz CJHLSAIJMZEGGC-UHFFFAOYSA-N -1 3 388.802 4.000 20 0 GHADHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479981969 868856114 /nfs/dbraw/zinc/85/61/14/868856114.db2.gz OHOVPVCKMOFTJK-NEPJUHHUSA-N -1 3 396.372 3.773 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000479999729 868884862 /nfs/dbraw/zinc/88/48/62/868884862.db2.gz QFFVQSNWGUZUFU-HWPZZCPQSA-N -1 3 375.824 3.673 20 0 GHADHM CC(C)c1ccc(-c2nc(CC(=O)NCc3ccc(F)c(F)c3)no2)c([O-])c1 ZINC000445717541 868900437 /nfs/dbraw/zinc/90/04/37/868900437.db2.gz FUCXXUZOTRXLNY-UHFFFAOYSA-N -1 3 387.386 3.703 20 0 GHADHM O=C(Cc1cc2c(cc1Br)OCCO2)Nc1cc(Cl)ccc1[O-] ZINC000216400097 882244562 /nfs/dbraw/zinc/24/45/62/882244562.db2.gz XFIXYRDGCCLJMC-UHFFFAOYSA-N -1 3 398.640 3.761 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)o1 ZINC000462308715 869212884 /nfs/dbraw/zinc/21/28/84/869212884.db2.gz MSBKUXVSAXOQIW-GOSISDBHSA-N -1 3 381.494 3.543 20 0 GHADHM C[C@@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(F)c(Br)c1 ZINC000462320902 869218456 /nfs/dbraw/zinc/21/84/56/869218456.db2.gz TVRWEKJWYGWSFC-BONVTDFDSA-N -1 3 396.260 3.717 20 0 GHADHM COc1cc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)cc(OC)c1[O-] ZINC000133565542 882278454 /nfs/dbraw/zinc/27/84/54/882278454.db2.gz JOWVGKOLNDQUCS-UHFFFAOYSA-N -1 3 379.815 3.664 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000524619353 869351710 /nfs/dbraw/zinc/35/17/10/869351710.db2.gz SYTBQVWWNFWSMQ-UHFFFAOYSA-N -1 3 383.245 3.710 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)s1 ZINC000462462055 869475071 /nfs/dbraw/zinc/47/50/71/869475071.db2.gz ZVKHXULEOPWYQJ-UHFFFAOYSA-N -1 3 378.288 3.745 20 0 GHADHM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000524749867 869494741 /nfs/dbraw/zinc/49/47/41/869494741.db2.gz XWBGXZJJRFKHKL-ROUUACIJSA-N -1 3 382.464 3.627 20 0 GHADHM O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000857507006 882307876 /nfs/dbraw/zinc/30/78/76/882307876.db2.gz LUYVVSCYBPQJBP-KRWDZBQOSA-N -1 3 392.471 3.514 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2Cl)s1 ZINC000462474730 869516039 /nfs/dbraw/zinc/51/60/39/869516039.db2.gz NHJXFRGEWNFXOA-UHFFFAOYSA-N -1 3 380.716 3.951 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1Cl ZINC000462498713 869564933 /nfs/dbraw/zinc/56/49/33/869564933.db2.gz FIYXKAGSRJLFNO-VQISRLSMSA-N -1 3 378.321 3.784 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000462550713 869660780 /nfs/dbraw/zinc/66/07/80/869660780.db2.gz IPJYWUKZXJOMGP-ACJLOTCBSA-N -1 3 385.407 3.550 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)o2)cc1 ZINC000745598739 869678896 /nfs/dbraw/zinc/67/88/96/869678896.db2.gz YFYGXVKXVNAPNH-UHFFFAOYSA-N -1 3 383.425 3.684 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1[O-] ZINC000745650820 869719713 /nfs/dbraw/zinc/71/97/13/869719713.db2.gz XTVQBKCHGKSNCV-UHFFFAOYSA-N -1 3 391.330 3.672 20 0 GHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000462594200 869729390 /nfs/dbraw/zinc/72/93/90/869729390.db2.gz PMVOWJXRBYUMLY-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccsc2)cc1Cl ZINC000669844008 869797488 /nfs/dbraw/zinc/79/74/88/869797488.db2.gz PVLZBNPOBARBTI-QMMMGPOBSA-N -1 3 376.862 3.539 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1[O-] ZINC000746079050 869997249 /nfs/dbraw/zinc/99/72/49/869997249.db2.gz LFVNHECSMMGSMV-LBPRGKRZSA-N -1 3 397.387 3.847 20 0 GHADHM CC(C)c1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000525113676 870011475 /nfs/dbraw/zinc/01/14/75/870011475.db2.gz BLMDQGVOQDKBFP-UHFFFAOYSA-N -1 3 399.563 3.755 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1Cc2ccc(Cl)cc2C1 ZINC000640299326 882364752 /nfs/dbraw/zinc/36/47/52/882364752.db2.gz RZCAODDKSQIOOB-UHFFFAOYSA-N -1 3 379.169 3.722 20 0 GHADHM O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746247876 870140001 /nfs/dbraw/zinc/14/00/01/870140001.db2.gz PNDLJVCMASNMPP-UHFFFAOYSA-N -1 3 391.562 3.598 20 0 GHADHM Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1O ZINC000184130676 870183583 /nfs/dbraw/zinc/18/35/83/870183583.db2.gz VLGQJKJDWKMSMP-FQEVSTJZSA-N -1 3 390.439 3.906 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3F)c2)o1 ZINC001192264458 870248622 /nfs/dbraw/zinc/24/86/22/870248622.db2.gz BNEBLHMROPMBPC-UHFFFAOYSA-N -1 3 385.779 3.777 20 0 GHADHM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1)c1ccoc1 ZINC000540040814 870283011 /nfs/dbraw/zinc/28/30/11/870283011.db2.gz DDIQQQWPNCMIGM-UHFFFAOYSA-N -1 3 398.440 3.658 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC4=O)CC2)c([O-])c1 ZINC001192322956 870289048 /nfs/dbraw/zinc/28/90/48/870289048.db2.gz UHXLNXLEBRUUPN-UHFFFAOYSA-N -1 3 392.499 3.781 20 0 GHADHM CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)c2ccc(C(C)(C)C)cc2[O-])c1 ZINC001192335109 870296765 /nfs/dbraw/zinc/29/67/65/870296765.db2.gz FHGIJPDQFLLFJC-UHFFFAOYSA-N -1 3 397.475 3.715 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000775524946 870327682 /nfs/dbraw/zinc/32/76/82/870327682.db2.gz UXIVIBLAWZBZDN-IBGZPJMESA-N -1 3 386.404 3.574 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000775524946 870327696 /nfs/dbraw/zinc/32/76/96/870327696.db2.gz UXIVIBLAWZBZDN-IBGZPJMESA-N -1 3 386.404 3.574 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000133750928 882400816 /nfs/dbraw/zinc/40/08/16/882400816.db2.gz PUYGDGXOHWPWQD-UHFFFAOYSA-N -1 3 386.407 3.539 20 0 GHADHM COc1ccc(-c2nnsc2[N-]C(=O)c2nc(C(F)(F)F)cs2)cc1 ZINC001192449250 870409768 /nfs/dbraw/zinc/40/97/68/870409768.db2.gz BMMFBBMUJBGQGZ-UHFFFAOYSA-N -1 3 386.380 3.941 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(Cl)c1 ZINC001192571211 870467159 /nfs/dbraw/zinc/46/71/59/870467159.db2.gz AOBJPWNTFWGZNE-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM CCC([N-]S(=O)(=O)c1cc(F)ccc1Br)(C1CC1)C1CC1 ZINC001192543803 870505195 /nfs/dbraw/zinc/50/51/95/870505195.db2.gz PNYDHKIITFYKQC-UHFFFAOYSA-N -1 3 376.291 3.835 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000248613529 870541297 /nfs/dbraw/zinc/54/12/97/870541297.db2.gz WQUXQKSJHQTCQF-LLGFUMIMSA-N -1 3 380.488 3.758 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)CC3CCC(c4ccccc4)CC3)cc2n(C)c1=O ZINC000461616803 870596405 /nfs/dbraw/zinc/59/64/05/870596405.db2.gz IKGBHCGXWZUXHC-UHFFFAOYSA-N -1 3 393.487 3.885 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2ccccc2OC)cc1 ZINC001193051918 870840401 /nfs/dbraw/zinc/84/04/01/870840401.db2.gz KHQWJCVMDDTRPF-UHFFFAOYSA-N -1 3 393.461 3.571 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001193145622 870918819 /nfs/dbraw/zinc/91/88/19/870918819.db2.gz YYGDCBVJMIYCPM-QGZVFWFLSA-N -1 3 398.260 3.597 20 0 GHADHM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(Br)c(=O)[n-]1 ZINC001193162680 870927667 /nfs/dbraw/zinc/92/76/67/870927667.db2.gz KMXLNLFBZRNSCO-UHFFFAOYSA-N -1 3 389.171 3.541 20 0 GHADHM COc1ccc(COc2cccc(F)c2)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775581063 870958005 /nfs/dbraw/zinc/95/80/05/870958005.db2.gz YBSCZYBQZJYUAD-LJQANCHMSA-N -1 3 390.411 3.993 20 0 GHADHM COc1ccc(COc2cccc(F)c2)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775581063 870958010 /nfs/dbraw/zinc/95/80/10/870958010.db2.gz YBSCZYBQZJYUAD-LJQANCHMSA-N -1 3 390.411 3.993 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c([O-])c1 ZINC000617920013 871019616 /nfs/dbraw/zinc/01/96/16/871019616.db2.gz WFMICSZNSKWGDL-HXUWFJFHSA-N -1 3 382.460 3.557 20 0 GHADHM O=C(Nc1cnc2c(cccc2C(F)(F)F)c1)c1cccc(OCCO)c1[O-] ZINC001193327408 871022721 /nfs/dbraw/zinc/02/27/21/871022721.db2.gz XSRGRERPOUTWGV-UHFFFAOYSA-N -1 3 392.333 3.583 20 0 GHADHM COc1cc(C)c(C(=O)Nc2cc(=O)[n-]c(C)n2)cc1OCc1ccccc1 ZINC001193364767 871055345 /nfs/dbraw/zinc/05/53/45/871055345.db2.gz KVTXPFYGBKXPPO-UHFFFAOYSA-N -1 3 379.416 3.639 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000447152309 871142150 /nfs/dbraw/zinc/14/21/50/871142150.db2.gz GUMMECSZPCMQFK-UHFFFAOYSA-N -1 3 377.293 3.893 20 0 GHADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1c[n-]c2ccccc2c1=O ZINC000060458129 882487652 /nfs/dbraw/zinc/48/76/52/882487652.db2.gz IXOFYKCCKGKYEN-GOSISDBHSA-N -1 3 384.382 3.937 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2ccc(Br)s2)[nH][n-]1 ZINC000540421567 871242210 /nfs/dbraw/zinc/24/22/10/871242210.db2.gz AVZCTSAFSOXFDU-UHFFFAOYSA-N -1 3 376.279 3.812 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)ccc1F ZINC000447266192 871287386 /nfs/dbraw/zinc/28/73/86/871287386.db2.gz VQPIIWXPEYHYFN-UHFFFAOYSA-N -1 3 392.383 3.984 20 0 GHADHM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000447269846 871296972 /nfs/dbraw/zinc/29/69/72/871296972.db2.gz GIYWOVOOSDGBRK-UHFFFAOYSA-N -1 3 375.494 3.862 20 0 GHADHM CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193759165 871299418 /nfs/dbraw/zinc/29/94/18/871299418.db2.gz PFORVXQIBIOXCC-ZYHUDNBSSA-N -1 3 388.386 3.587 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(OCc2ccccc2)cc1F ZINC001193820670 871328273 /nfs/dbraw/zinc/32/82/73/871328273.db2.gz ZFLSIDDNRMUHOC-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(OCc2ccccc2)cc1F ZINC001193820670 871328295 /nfs/dbraw/zinc/32/82/95/871328295.db2.gz ZFLSIDDNRMUHOC-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C)c2ccccc21)c1ccccc1 ZINC001193880518 871339907 /nfs/dbraw/zinc/33/99/07/871339907.db2.gz PTVCGMVGOXGYTK-OAQYLSRUSA-N -1 3 383.469 3.515 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(F)cc1Cl)c1cc2ccccc2s1 ZINC001193858882 871358303 /nfs/dbraw/zinc/35/83/03/871358303.db2.gz CWSQBWWQTRRFSI-UHFFFAOYSA-N -1 3 397.880 3.996 20 0 GHADHM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c(F)ccc([O-])c1F ZINC000540481885 871368248 /nfs/dbraw/zinc/36/82/48/871368248.db2.gz QBNFZKYJRZLFME-HNNXBMFYSA-N -1 3 380.822 3.891 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1N[C@H](C1CCC1)C(F)(F)F ZINC001169287054 871370559 /nfs/dbraw/zinc/37/05/59/871370559.db2.gz FUGLVBJQAWCFSJ-LLVKDONJSA-N -1 3 376.404 3.667 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1N[C@H](C1CCC1)C(F)(F)F ZINC001169287054 871370578 /nfs/dbraw/zinc/37/05/78/871370578.db2.gz FUGLVBJQAWCFSJ-LLVKDONJSA-N -1 3 376.404 3.667 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC001193929582 871374842 /nfs/dbraw/zinc/37/48/42/871374842.db2.gz JFONOYWRLIKVMG-BPUTZDHNSA-N -1 3 375.465 3.521 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000525751905 871384052 /nfs/dbraw/zinc/38/40/52/871384052.db2.gz RAPRMPKXOLHWLT-UHFFFAOYSA-N -1 3 375.881 3.569 20 0 GHADHM CC1(C)CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000174977268 882511178 /nfs/dbraw/zinc/51/11/78/882511178.db2.gz HRZNRSKATSACFR-KRWDZBQOSA-N -1 3 393.915 3.984 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N(C)C ZINC001193946070 871422456 /nfs/dbraw/zinc/42/24/56/871422456.db2.gz NNVIJUMCUIIFAP-OAHLLOKOSA-N -1 3 383.275 3.746 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000640301414 882510114 /nfs/dbraw/zinc/51/01/14/882510114.db2.gz HKHFZKZEVOFREG-UMSPYCQHSA-N -1 3 390.768 3.728 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1csnc1-c1ccccc1)CC1CCCCC1 ZINC001194098869 871503975 /nfs/dbraw/zinc/50/39/75/871503975.db2.gz ZJUAWCYVTJAKGY-UHFFFAOYSA-N -1 3 378.519 3.628 20 0 GHADHM CCOC(=O)c1cnc2n1CCN(Cc1c(Cl)cc([O-])cc1Cl)[C@@H]2C ZINC001142118714 871554749 /nfs/dbraw/zinc/55/47/49/871554749.db2.gz XLVUKWHZUUPYJK-SNVBAGLBSA-N -1 3 384.263 3.649 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2c(Cl)cccc21)c1ccccc1 ZINC001194437188 871718244 /nfs/dbraw/zinc/71/82/44/871718244.db2.gz LRYIRRJKGKSDQV-GOSISDBHSA-N -1 3 389.860 3.686 20 0 GHADHM Cc1sc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)nc1C(C)C ZINC000447509400 871769878 /nfs/dbraw/zinc/76/98/78/871769878.db2.gz VACGMURZTGLSGL-UHFFFAOYSA-N -1 3 376.432 3.846 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000447569484 871831692 /nfs/dbraw/zinc/83/16/92/871831692.db2.gz PLMSWHQHDIQYMN-OAHLLOKOSA-N -1 3 379.464 3.712 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000447569484 871831713 /nfs/dbraw/zinc/83/17/13/871831713.db2.gz PLMSWHQHDIQYMN-OAHLLOKOSA-N -1 3 379.464 3.712 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194643552 871848699 /nfs/dbraw/zinc/84/86/99/871848699.db2.gz ZNMYPRTYNFXJLQ-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H](CCF)C1 ZINC000618692772 871858504 /nfs/dbraw/zinc/85/85/04/871858504.db2.gz UTPXILPEYXAWOU-LLVKDONJSA-N -1 3 381.245 3.502 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)nc3C(F)(F)F)nc21 ZINC000766830404 871868141 /nfs/dbraw/zinc/86/81/41/871868141.db2.gz PKMYJYXUWKFUNJ-UHFFFAOYSA-N -1 3 398.728 3.669 20 0 GHADHM CCOC(=O)COc1cc(Nc2ccc(Cl)c([O-])c2)ccc1C(=O)OC ZINC001212595306 871893344 /nfs/dbraw/zinc/89/33/44/871893344.db2.gz NCOANIBPXXIZEC-UHFFFAOYSA-N -1 3 379.796 3.518 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194772429 871953945 /nfs/dbraw/zinc/95/39/45/871953945.db2.gz FSKPROMSVGYDJR-UHFFFAOYSA-N -1 3 387.701 3.867 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194772429 871953960 /nfs/dbraw/zinc/95/39/60/871953960.db2.gz FSKPROMSVGYDJR-UHFFFAOYSA-N -1 3 387.701 3.867 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122490247 882576322 /nfs/dbraw/zinc/57/63/22/882576322.db2.gz LIOVCVOEBULRNM-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122490247 882576333 /nfs/dbraw/zinc/57/63/33/882576333.db2.gz LIOVCVOEBULRNM-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM Cc1cccc(Br)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194976526 872078942 /nfs/dbraw/zinc/07/89/42/872078942.db2.gz GAIXKQQBGOWAEB-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)cc3[nH]ccc32)cc1F ZINC001194981450 872082695 /nfs/dbraw/zinc/08/26/95/872082695.db2.gz IYDBNNOVBGRALT-UHFFFAOYSA-N -1 3 381.816 3.584 20 0 GHADHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c([O-])c1 ZINC000101673735 872179164 /nfs/dbraw/zinc/17/91/64/872179164.db2.gz CQWLIKJIUDJHQF-QGZVFWFLSA-N -1 3 376.250 3.677 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C(C)C)C(C)C)cc1Cl ZINC000447759277 872270532 /nfs/dbraw/zinc/27/05/32/872270532.db2.gz QXKCDPOSSBSPSP-UHFFFAOYSA-N -1 3 378.897 3.644 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000151549553 872277321 /nfs/dbraw/zinc/27/73/21/872277321.db2.gz RKKLKTYXMDBMDQ-KRWDZBQOSA-N -1 3 389.455 3.581 20 0 GHADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1c(F)cccc1Cl ZINC000463672514 872304176 /nfs/dbraw/zinc/30/41/76/872304176.db2.gz ZRKUZFXVQHYHOS-CQSZACIVSA-N -1 3 388.917 3.656 20 0 GHADHM COC(=O)[C@@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000526934803 872333458 /nfs/dbraw/zinc/33/34/58/872333458.db2.gz HMQOYNLILPLATQ-QFIPXVFZSA-N -1 3 381.403 3.545 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc([C@H](C)OC)nc3C)c2)n1 ZINC000175608553 882604221 /nfs/dbraw/zinc/60/42/21/882604221.db2.gz CGSMCTDNKIECCJ-LBPRGKRZSA-N -1 3 398.488 3.724 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1[O-] ZINC000552286712 872353322 /nfs/dbraw/zinc/35/33/22/872353322.db2.gz WUCXYUVTJFKPHQ-UHFFFAOYSA-N -1 3 397.381 3.800 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCC2=CCCCCC2)cc1OC ZINC000463696462 872358826 /nfs/dbraw/zinc/35/88/26/872358826.db2.gz MQUDNHSTTKFBNV-UHFFFAOYSA-N -1 3 395.525 3.859 20 0 GHADHM CC(=O)c1cccc(Br)c1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195421363 872409898 /nfs/dbraw/zinc/40/98/98/872409898.db2.gz DDXVLUYPNFRHPU-UHFFFAOYSA-N -1 3 377.263 3.779 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC(C)(C)O1 ZINC001195505117 872454375 /nfs/dbraw/zinc/45/43/75/872454375.db2.gz FZZGUCPWWGPKBR-UHFFFAOYSA-N -1 3 394.306 3.603 20 0 GHADHM C[C@H]1CC[C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000478109465 872517383 /nfs/dbraw/zinc/51/73/83/872517383.db2.gz HOULLCPFIUVIDS-GJZGRUSLSA-N -1 3 390.480 3.793 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1C ZINC000463801791 872608372 /nfs/dbraw/zinc/60/83/72/872608372.db2.gz SOAQHXZDDGFCEF-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM CCCSc1nc(Cl)c(NS(=O)(=O)c2ccc([O-])cc2)c(Cl)n1 ZINC001195765788 872623680 /nfs/dbraw/zinc/62/36/80/872623680.db2.gz CTGQUZYMSLAGRU-UHFFFAOYSA-N -1 3 394.305 3.792 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)[n-]1 ZINC000619446277 872633264 /nfs/dbraw/zinc/63/32/64/872633264.db2.gz CKZBJSUFLOELGO-HNNXBMFYSA-N -1 3 393.443 3.583 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)c[n-]1 ZINC000619446277 872633272 /nfs/dbraw/zinc/63/32/72/872633272.db2.gz CKZBJSUFLOELGO-HNNXBMFYSA-N -1 3 393.443 3.583 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001195794532 872667140 /nfs/dbraw/zinc/66/71/40/872667140.db2.gz XVOSISHACFDZGK-OAHLLOKOSA-N -1 3 396.306 3.551 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001195793336 872667366 /nfs/dbraw/zinc/66/73/66/872667366.db2.gz ANBOPOZBHFWKEL-UHFFFAOYSA-N -1 3 382.485 3.584 20 0 GHADHM COc1ccc(-c2cc(C(=O)N[N-]C(=O)c3ccccc3F)sc2C)cc1 ZINC000070671648 872692110 /nfs/dbraw/zinc/69/21/10/872692110.db2.gz RULKPAGETHUJFQ-UHFFFAOYSA-N -1 3 384.432 3.946 20 0 GHADHM COC1(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 ZINC000478266279 872752902 /nfs/dbraw/zinc/75/29/02/872752902.db2.gz PWZBYVMWTUAGPH-UHFFFAOYSA-N -1 3 388.489 3.694 20 0 GHADHM O=C(Nc1cncc([O-])c1)c1ccc(OC2CCOCC2)c(C(F)(F)F)c1 ZINC001196050030 872856885 /nfs/dbraw/zinc/85/68/85/872856885.db2.gz HMYWHVXHAFESBU-UHFFFAOYSA-N -1 3 382.338 3.616 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000541084059 872885803 /nfs/dbraw/zinc/88/58/03/872885803.db2.gz LTGVMEJBMFSVBQ-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)c1 ZINC000182868509 872907137 /nfs/dbraw/zinc/90/71/37/872907137.db2.gz XTJRBXKNCKREQY-QGZVFWFLSA-N -1 3 376.391 3.589 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC=C(c2ccco2)C1 ZINC000552688320 873027039 /nfs/dbraw/zinc/02/70/39/873027039.db2.gz CFKQOXSYFJVOIO-UHFFFAOYSA-N -1 3 399.244 3.813 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccc(F)cc1)c1cccc(Br)n1 ZINC001196341822 873043190 /nfs/dbraw/zinc/04/31/90/873043190.db2.gz VHNNWDOWQPZEKT-AWEZNQCLSA-N -1 3 399.285 3.803 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC([C@H]4CCCO4)CC3)cc2)cc(=O)[n-]1 ZINC000527369697 873066313 /nfs/dbraw/zinc/06/63/13/873066313.db2.gz TZRDXUFKHKZABS-LJQANCHMSA-N -1 3 382.464 3.581 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000794305415 882682349 /nfs/dbraw/zinc/68/23/49/882682349.db2.gz LDDRMEUWIWZKCS-ZWMGVJBHSA-N -1 3 376.884 3.571 20 0 GHADHM Cc1ccccc1C(C)(C)NC(=O)c1cc([O-])cc(I)c1 ZINC001196427317 873109252 /nfs/dbraw/zinc/10/92/52/873109252.db2.gz HLPSCQNCMCYQFD-UHFFFAOYSA-N -1 3 395.240 3.970 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000527453626 873127069 /nfs/dbraw/zinc/12/70/69/873127069.db2.gz ARAGPLLJQPEIGV-INIZCTEOSA-N -1 3 376.403 3.561 20 0 GHADHM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NCc1ncccc1[O-])OCC3 ZINC000527481230 873181439 /nfs/dbraw/zinc/18/14/39/873181439.db2.gz LOZCTYPRWMKMKM-QHCPKHFHSA-N -1 3 393.487 3.715 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499906 873184728 /nfs/dbraw/zinc/18/47/28/873184728.db2.gz GQGGGAJCXHIANX-LLVKDONJSA-N -1 3 394.909 3.703 20 0 GHADHM COCc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000541306223 873329324 /nfs/dbraw/zinc/32/93/24/873329324.db2.gz FGOXRJPDXDVAOT-UHFFFAOYSA-N -1 3 376.409 3.569 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)c3ccncc3)cc2)c(C)c1 ZINC001196888328 873429960 /nfs/dbraw/zinc/42/99/60/873429960.db2.gz RBAJJQJNOPFDTR-UHFFFAOYSA-N -1 3 396.468 3.739 20 0 GHADHM CCNc1nc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000768661839 873484777 /nfs/dbraw/zinc/48/47/77/873484777.db2.gz VDGAMQYVULZKDE-MRVPVSSYSA-N -1 3 378.479 3.820 20 0 GHADHM [O-]c1ccc(NC(=S)Nc2ccc(F)cc2)cc1I ZINC001196942004 873490780 /nfs/dbraw/zinc/49/07/80/873490780.db2.gz GYRQRNVFHSQHOZ-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(Br)cc2C(C)C)c(=O)[n-]1 ZINC000541462406 873608410 /nfs/dbraw/zinc/60/84/10/873608410.db2.gz XQWGPDRRTPYGPP-UHFFFAOYSA-N -1 3 379.258 3.698 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C(C)(C)C)cc2C)ccc1O ZINC001197241284 873668650 /nfs/dbraw/zinc/66/86/50/873668650.db2.gz PSKYZRONXJSPJG-UHFFFAOYSA-N -1 3 391.489 3.894 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197405597 873774175 /nfs/dbraw/zinc/77/41/75/873774175.db2.gz KGHKUZAOSLNEGL-UHFFFAOYSA-N -1 3 392.305 3.683 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2nc(Cl)c(Cl)nc2Cl)c1F ZINC001197421698 873802632 /nfs/dbraw/zinc/80/26/32/873802632.db2.gz GAQOHWITXWJYHD-UHFFFAOYSA-N -1 3 398.580 3.950 20 0 GHADHM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC000541533561 873820881 /nfs/dbraw/zinc/82/08/81/873820881.db2.gz WLBULGMAPTYZES-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000464474749 873921652 /nfs/dbraw/zinc/92/16/52/873921652.db2.gz MWROSAHZLQXANI-UHFFFAOYSA-N -1 3 386.395 3.648 20 0 GHADHM COC(=O)c1cccc2nc([N-]C(=O)c3c(C)noc3C(F)(F)F)sc21 ZINC001197586275 873927102 /nfs/dbraw/zinc/92/71/02/873927102.db2.gz XKUNAZVPDFIDHQ-UHFFFAOYSA-N -1 3 385.323 3.650 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cncc(OC(F)(F)F)c1 ZINC001197651415 873947497 /nfs/dbraw/zinc/94/74/97/873947497.db2.gz YVNWYFDGCPWBKJ-UHFFFAOYSA-N -1 3 384.738 3.715 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1cccc([O-])c1Br ZINC001197685243 873979813 /nfs/dbraw/zinc/97/98/13/873979813.db2.gz MTULPYJPXGRYTD-UHFFFAOYSA-N -1 3 394.649 3.889 20 0 GHADHM O=C(Nc1ccnn1CC(F)(F)F)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708410 873993631 /nfs/dbraw/zinc/99/36/31/873993631.db2.gz WTWOADJNPGWFOA-UHFFFAOYSA-N -1 3 391.349 3.982 20 0 GHADHM O=C(NC1(Cc2ccccc2Br)CC1)c1c[n-]c2ccccc2c1=O ZINC001129401328 882783130 /nfs/dbraw/zinc/78/31/30/882783130.db2.gz BUWIMEIPVLXABZ-UHFFFAOYSA-N -1 3 397.272 3.796 20 0 GHADHM CN1Cc2c(cccc2[N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)C1=O ZINC001197754480 874030112 /nfs/dbraw/zinc/03/01/12/874030112.db2.gz OUGFONFATZPIIQ-UHFFFAOYSA-N -1 3 385.272 3.521 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC001197863272 874103038 /nfs/dbraw/zinc/10/30/38/874103038.db2.gz ZNUDKQZCHZEHOV-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM O=C([N-]c1cc(-c2ccc(Cl)s2)on1)c1nccnc1OCC1CC1 ZINC001198013234 874163215 /nfs/dbraw/zinc/16/32/15/874163215.db2.gz OVYMCWGSUJPFJB-UHFFFAOYSA-N -1 3 376.825 3.888 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804411027 882802353 /nfs/dbraw/zinc/80/23/53/882802353.db2.gz BNJOGIRZDPLZOA-OAQYLSRUSA-N -1 3 399.450 3.711 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nccn1C ZINC000769647907 874211847 /nfs/dbraw/zinc/21/18/47/874211847.db2.gz VNXVJOBJSCABIR-HXUWFJFHSA-N -1 3 379.460 3.777 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2Cl)[n-]n1 ZINC001198139230 874228230 /nfs/dbraw/zinc/22/82/30/874228230.db2.gz JUNBLKMPAOUYGZ-UHFFFAOYSA-N -1 3 379.697 3.650 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2Cl)n[n-]1 ZINC001198139230 874228244 /nfs/dbraw/zinc/22/82/44/874228244.db2.gz JUNBLKMPAOUYGZ-UHFFFAOYSA-N -1 3 379.697 3.650 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1Br ZINC001198148246 874246393 /nfs/dbraw/zinc/24/63/93/874246393.db2.gz KZBDNZBZPOLTGH-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198159515 874253701 /nfs/dbraw/zinc/25/37/01/874253701.db2.gz XMGARKZAGQIDKK-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198159515 874253716 /nfs/dbraw/zinc/25/37/16/874253716.db2.gz XMGARKZAGQIDKK-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c([O-])c1C ZINC000769740606 874278349 /nfs/dbraw/zinc/27/83/49/874278349.db2.gz DJYAAZZUVFESQQ-UHFFFAOYSA-N -1 3 375.428 3.586 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccc(F)cc1)c1cccc(Cl)n1 ZINC001198260138 874291040 /nfs/dbraw/zinc/29/10/40/874291040.db2.gz RTARBLVUSVPWRM-INIZCTEOSA-N -1 3 398.887 3.710 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2cccc(Cl)c2)no1)c1cccc(Cl)n1 ZINC001198253316 874312762 /nfs/dbraw/zinc/31/27/62/874312762.db2.gz GSUJFTLOOSUHLG-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCc1ccccc1)c1cccc(Cl)n1 ZINC001198256478 874315588 /nfs/dbraw/zinc/31/55/88/874315588.db2.gz ZSTOJKISABENNB-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)nc2Br)cn1 ZINC001198276466 874318852 /nfs/dbraw/zinc/31/88/52/874318852.db2.gz OPZNGMFBKNACOX-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC(C)(C)C3CC3)c2)c1 ZINC000769916690 874338932 /nfs/dbraw/zinc/33/89/32/874338932.db2.gz GEXDHJCNKCEXDN-UHFFFAOYSA-N -1 3 398.459 3.580 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000769976591 874383787 /nfs/dbraw/zinc/38/37/87/874383787.db2.gz BKLNIBZGLNPKAK-GOSISDBHSA-N -1 3 397.452 3.558 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000769978029 874384614 /nfs/dbraw/zinc/38/46/14/874384614.db2.gz KXKIJYBISJGGGN-KRWDZBQOSA-N -1 3 397.452 3.558 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC000464727200 874391438 /nfs/dbraw/zinc/39/14/38/874391438.db2.gz KXIYZLKCKIHUSV-UHFFFAOYSA-N -1 3 395.312 3.997 20 0 GHADHM Cn1c2ccccc2nc1C(C)(C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000770030657 874414413 /nfs/dbraw/zinc/41/44/13/874414413.db2.gz PQBICVVBRQEWBP-UHFFFAOYSA-N -1 3 379.357 3.995 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000858082322 882827281 /nfs/dbraw/zinc/82/72/81/882827281.db2.gz SJDSGVIMTHCWRH-SECBINFHSA-N -1 3 399.230 3.667 20 0 GHADHM CC(C)n1cc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2n1 ZINC000541889736 874468287 /nfs/dbraw/zinc/46/82/87/874468287.db2.gz IQFIQHLKZCNBEY-LJQANCHMSA-N -1 3 392.459 3.566 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(Cl)ccc21)c1cccnc1C(F)(F)F ZINC000528536695 874685712 /nfs/dbraw/zinc/68/57/12/874685712.db2.gz ZLDOJOAIHCCCIY-LBPRGKRZSA-N -1 3 376.787 3.720 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000464891159 874725198 /nfs/dbraw/zinc/72/51/98/874725198.db2.gz JBAAOAMOLLALMH-GOSISDBHSA-N -1 3 381.407 3.762 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775935797 874825598 /nfs/dbraw/zinc/82/55/98/874825598.db2.gz PAYUIJLWQSBFHQ-UHFFFAOYSA-N -1 3 399.834 3.644 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1C ZINC000475730195 882906473 /nfs/dbraw/zinc/90/64/73/882906473.db2.gz JARGDEZSRQBPFF-UHFFFAOYSA-N -1 3 386.477 3.590 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)CCCO2 ZINC000771589403 875353403 /nfs/dbraw/zinc/35/34/03/875353403.db2.gz MEOGJYCMVHKXPE-UHFFFAOYSA-N -1 3 387.457 3.854 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2cccnc2C(F)(F)F)C2CC2)c1F ZINC001200886432 875384633 /nfs/dbraw/zinc/38/46/33/875384633.db2.gz IKNDFSKBHOJHAT-HNNXBMFYSA-N -1 3 388.386 3.978 20 0 GHADHM CCCCCCNC(=S)Nc1ccc(I)cc1[O-] ZINC001200956800 875438291 /nfs/dbraw/zinc/43/82/91/875438291.db2.gz IWVXVKMQJUKOJB-UHFFFAOYSA-N -1 3 378.279 3.864 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=S)Nc1cc(C)cc(C)c1)OCC ZINC001201196270 875555497 /nfs/dbraw/zinc/55/54/97/875555497.db2.gz FSQBPHDSGPAUJS-UHFFFAOYSA-N -1 3 390.509 3.550 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]c2cc3cccccc-3c2)C1 ZINC001201654082 875816129 /nfs/dbraw/zinc/81/61/29/875816129.db2.gz DIELMBRLGAPJAL-QGZVFWFLSA-N -1 3 376.478 3.543 20 0 GHADHM Cc1ccnc(Oc2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc2)c1 ZINC000913696487 875879366 /nfs/dbraw/zinc/87/93/66/875879366.db2.gz KRJOGXFPDMCLAA-UHFFFAOYSA-N -1 3 390.443 3.875 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cccc(F)c1Br ZINC001201787258 875882454 /nfs/dbraw/zinc/88/24/54/875882454.db2.gz JJROVFWRKOTJSD-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cccc(F)c1Br ZINC001201788651 875884268 /nfs/dbraw/zinc/88/42/68/875884268.db2.gz KEBWGTPFWRJMAZ-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccoc2c1)c1cccc(F)c1Br ZINC001201789271 875885393 /nfs/dbraw/zinc/88/53/93/875885393.db2.gz AOBDETKPNUKVTA-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1cccc(F)c1Br ZINC001201790304 875885620 /nfs/dbraw/zinc/88/56/20/875885620.db2.gz ZFMIWULAAOGDKY-ZDUSSCGKSA-N -1 3 398.297 3.987 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1ncccc1OCc1ccccc1 ZINC001201898961 875913908 /nfs/dbraw/zinc/91/39/08/875913908.db2.gz AZVLHIUOVPSAKP-IBGZPJMESA-N -1 3 398.459 3.766 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1ncccc1OCc1ccccc1 ZINC001201901349 875916101 /nfs/dbraw/zinc/91/61/01/875916101.db2.gz XODGMKAJDHNWBE-IBGZPJMESA-N -1 3 398.459 3.766 20 0 GHADHM COCc1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccc1OC ZINC000913724664 875929879 /nfs/dbraw/zinc/92/98/79/875929879.db2.gz FWHVZQUMFGDCQM-UHFFFAOYSA-N -1 3 393.465 3.897 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3nc4cccc(Cl)c4n3C)nc2)n1 ZINC000475742243 882980772 /nfs/dbraw/zinc/98/07/72/882980772.db2.gz NKGSHCUMARWGKB-UHFFFAOYSA-N -1 3 394.866 3.959 20 0 GHADHM O=C(Nc1ccc([O-])c(I)c1)Nc1c(F)cccc1F ZINC001202041602 875990814 /nfs/dbraw/zinc/99/08/14/875990814.db2.gz DHTAIFYPDFVMGV-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=S(=O)([N-][C@@H]1CC2(CCC2)Oc2ccccc21)c1cnccc1C(F)(F)F ZINC000785502715 876076923 /nfs/dbraw/zinc/07/69/23/876076923.db2.gz WCCPGFIWZAJXFY-CQSZACIVSA-N -1 3 398.406 3.825 20 0 GHADHM C[C@@H](CO)N(Cc1ccccc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000921462947 882995216 /nfs/dbraw/zinc/99/52/16/882995216.db2.gz BZZPWKSVSSPBKB-ZDUSSCGKSA-N -1 3 391.493 3.513 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000450220138 876106540 /nfs/dbraw/zinc/10/65/40/876106540.db2.gz GZCPRDYQXAFYEA-UHFFFAOYSA-N -1 3 383.231 3.904 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cc(F)c(F)c(F)c1 ZINC000173134116 876196700 /nfs/dbraw/zinc/19/67/00/876196700.db2.gz QHVYEDDIRJCMTD-GOSISDBHSA-N -1 3 378.375 3.567 20 0 GHADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1Cl)c1cccnc1Cl ZINC000776311837 876237682 /nfs/dbraw/zinc/23/76/82/876237682.db2.gz DGCVGRUJFXDVLZ-UHFFFAOYSA-N -1 3 395.695 3.537 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4ccccc4oc3=O)nc(=O)c2c1C ZINC000006371275 876365992 /nfs/dbraw/zinc/36/59/92/876365992.db2.gz AYNSBPOTULSLLE-JTQLQIEISA-N -1 3 396.424 3.626 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C2CC2)s1 ZINC000173487640 876416852 /nfs/dbraw/zinc/41/68/52/876416852.db2.gz JSPXWUOOYCFRSU-ZDUSSCGKSA-N -1 3 376.425 3.900 20 0 GHADHM CCc1ccc(NC(=O)c2nnc(COC(=O)c3cc4occc4[n-]3)s2)cc1 ZINC000786031150 876417814 /nfs/dbraw/zinc/41/78/14/876417814.db2.gz OJVCDSAPWVFUML-UHFFFAOYSA-N -1 3 396.428 3.784 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786034918 876421720 /nfs/dbraw/zinc/42/17/20/876421720.db2.gz YCQATOMNSLETQN-GOSISDBHSA-N -1 3 382.416 3.680 20 0 GHADHM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000193442943 876467527 /nfs/dbraw/zinc/46/75/27/876467527.db2.gz HAQSAPBXTMBOHV-UHFFFAOYSA-N -1 3 390.505 3.596 20 0 GHADHM Cc1cccc(NC(=O)NC(=O)COC(=O)c2cc3sccc3c([O-])c2)c1C ZINC000786137391 876502391 /nfs/dbraw/zinc/50/23/91/876502391.db2.gz NGKWQGXLGOLTET-UHFFFAOYSA-N -1 3 398.440 3.729 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3noc4ccccc34)nc(=O)c2c1C ZINC000007319822 876728086 /nfs/dbraw/zinc/72/80/86/876728086.db2.gz IMNKVMJWHHDFNL-SNVBAGLBSA-N -1 3 383.429 3.590 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000529891118 876816952 /nfs/dbraw/zinc/81/69/52/876816952.db2.gz VLWLEZATSAOWHK-UHFFFAOYSA-N -1 3 378.350 3.568 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C3CCOCC3)c1)c2=O ZINC000529937312 876866452 /nfs/dbraw/zinc/86/64/52/876866452.db2.gz WYFNXNORKYIVMK-UHFFFAOYSA-N -1 3 396.418 3.822 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)ccc1F ZINC000786874472 876996734 /nfs/dbraw/zinc/99/67/34/876996734.db2.gz VZKSRQKTYWVNBS-UHFFFAOYSA-N -1 3 384.860 3.889 20 0 GHADHM CC[C@H](CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000193465183 877120424 /nfs/dbraw/zinc/12/04/24/877120424.db2.gz RKYHCFSBKYBKCT-OAHLLOKOSA-N -1 3 393.443 3.865 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-n2nc(C)cc2C)c1)c1ccccc1 ZINC000450977893 877175571 /nfs/dbraw/zinc/17/55/71/877175571.db2.gz BYGXHEMWVQFERA-HXUWFJFHSA-N -1 3 385.489 3.619 20 0 GHADHM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)sc1C ZINC000477195160 877190111 /nfs/dbraw/zinc/19/01/11/877190111.db2.gz CNQHLQROMCWYBI-UHFFFAOYSA-N -1 3 379.334 3.896 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)[n-]1 ZINC000477196554 877190333 /nfs/dbraw/zinc/19/03/33/877190333.db2.gz SSIKPPIBJSDUFN-UHFFFAOYSA-N -1 3 391.836 3.839 20 0 GHADHM Cc1nc(F)ccc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000787141139 877191930 /nfs/dbraw/zinc/19/19/30/877191930.db2.gz ZTVWCIWJPJBQSA-UHFFFAOYSA-N -1 3 399.491 3.962 20 0 GHADHM CC[C@@H](C)OCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551431098 877197919 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CCC1([N-]S(=O)(=O)c2c(Br)cc(C)cc2Br)CC1 ZINC000451684968 878338405 /nfs/dbraw/zinc/33/84/05/878338405.db2.gz AUZKUSWTIYUBJT-UHFFFAOYSA-N -1 3 397.132 3.741 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)C2CC2)c(Br)c1 ZINC000451731274 878376537 /nfs/dbraw/zinc/37/65/37/878376537.db2.gz AKLHTUFUCIBSJQ-MRVPVSSYSA-N -1 3 397.132 3.597 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000467254096 878343688 /nfs/dbraw/zinc/34/36/88/878343688.db2.gz NWYPXEAUQKDQFF-SCLBCKFNSA-N -1 3 399.248 3.670 20 0 GHADHM CCC1(CC)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000530802246 878522755 /nfs/dbraw/zinc/52/27/55/878522755.db2.gz MPEALWZFGLOAJC-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM O=C([N-]c1cncc(Cl)c1Cl)c1sccc1S(=O)(=O)C(F)F ZINC000180127645 878539213 /nfs/dbraw/zinc/53/92/13/878539213.db2.gz WPRPESDOZYYESJ-UHFFFAOYSA-N -1 3 387.216 3.699 20 0 GHADHM Cc1cc(C)c(N2CC[C@H](OC(=O)c3cc(-c4ccco4)[n-]n3)C2=O)c(C)c1 ZINC000789019831 878544653 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O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(F)c(F)c(F)c1F ZINC000178146025 879017979 /nfs/dbraw/zinc/01/79/79/879017979.db2.gz IIJFPUQXNTZEMF-UHFFFAOYSA-N -1 3 384.720 3.789 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000531103356 879135604 /nfs/dbraw/zinc/13/56/04/879135604.db2.gz COGQHMICRSIBMU-QAPCUYQASA-N -1 3 393.516 3.584 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000789734288 879203688 /nfs/dbraw/zinc/20/36/88/879203688.db2.gz GTWKHYXFWQNODR-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM COC(=O)C[C@](C)([N-]C(=O)C(F)(F)c1ccccc1F)c1cccc(F)c1 ZINC000789719724 879228171 /nfs/dbraw/zinc/22/81/71/879228171.db2.gz IOOHVLHGICGKPS-SFHVURJKSA-N -1 3 383.341 3.651 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC1CC(C)(F)C1 ZINC000452286671 879259500 /nfs/dbraw/zinc/25/95/00/879259500.db2.gz YNLXMQAPYVZLDX-UHFFFAOYSA-N -1 3 394.443 3.555 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)c([O-])c1 ZINC000789751824 879264112 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000617383871 879676140 /nfs/dbraw/zinc/67/61/40/879676140.db2.gz RMVCSTZZFXOWCG-UHFFFAOYSA-N -1 3 395.415 3.554 20 0 GHADHM Cc1nc(C)c(CC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c(=O)[n-]1 ZINC000461394195 879728142 /nfs/dbraw/zinc/72/81/42/879728142.db2.gz HKPFCNXACOMAHM-UHFFFAOYSA-N -1 3 379.382 3.556 20 0 GHADHM Cc1nc2ccnn2c(C)c1CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746933031 879875758 /nfs/dbraw/zinc/87/57/58/879875758.db2.gz QOJDFBWGDPGKKP-UHFFFAOYSA-N -1 3 392.381 3.546 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000790700489 879935368 /nfs/dbraw/zinc/93/53/68/879935368.db2.gz WTHPJOGUTJWPOC-SNVBAGLBSA-N -1 3 385.798 3.629 20 0 GHADHM COCCOc1cccc(CC(=O)Nc2c([O-])ccc(Br)c2C)c1 ZINC000452744942 879962616 /nfs/dbraw/zinc/96/26/16/879962616.db2.gz DCHVWWILWMDWFF-UHFFFAOYSA-N -1 3 394.265 3.670 20 0 GHADHM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2c(C)c(Br)ccc2[O-])cc1 ZINC000452747273 879970230 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GHADHM Cc1nc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)sc1C ZINC000531912388 880730785 /nfs/dbraw/zinc/73/07/85/880730785.db2.gz XGZJRJSVUNMTFK-UHFFFAOYSA-N -1 3 383.477 3.595 20 0 GHADHM CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)c1cc2sccc2c([O-])c1 ZINC000855820031 880793707 /nfs/dbraw/zinc/79/37/07/880793707.db2.gz SPNNEOMPJAPBFU-UHFFFAOYSA-N -1 3 388.489 3.736 20 0 GHADHM O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cc([O-])c2ccccc2c1 ZINC000792036182 880887171 /nfs/dbraw/zinc/88/71/71/880887171.db2.gz QWYCKGAURTYKKV-UHFFFAOYSA-N -1 3 391.452 3.580 20 0 GHADHM CCOC[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000792037429 880888338 /nfs/dbraw/zinc/88/83/38/880888338.db2.gz QBOOZTSFJYDNHS-CQSZACIVSA-N -1 3 395.452 3.517 20 0 GHADHM O=C(OCCO[C@H]1CCCCO1)c1n[n-]c(-c2ccccc2)c1Br ZINC000792040899 880889376 /nfs/dbraw/zinc/88/93/76/880889376.db2.gz UXQHAKGUOQMHPN-ZDUSSCGKSA-N -1 3 395.253 3.539 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3csc(NC4CC4)n3)n2)cc1 ZINC000532029461 880914213 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GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000609802677 883664023 /nfs/dbraw/zinc/66/40/23/883664023.db2.gz HVGABRZIQSGYHN-MRVPVSSYSA-N -1 3 394.301 3.881 20 0 GHADHM COc1ccc(-c2nnc([N-]C(=O)c3cc4c(C)nn(C)c4s3)s2)cc1 ZINC000136315273 883789969 /nfs/dbraw/zinc/78/99/69/883789969.db2.gz QVZJMLORCISURA-UHFFFAOYSA-N -1 3 385.474 3.723 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000102648813 884033876 /nfs/dbraw/zinc/03/38/76/884033876.db2.gz IMWDEIQFIMFSBX-KRWDZBQOSA-N -1 3 393.409 3.702 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000760460226 884109158 /nfs/dbraw/zinc/10/91/58/884109158.db2.gz PUHVIDHSTBQWIT-NSHDSACASA-N -1 3 390.814 3.876 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc(Cl)cs1 ZINC000760472476 884134459 /nfs/dbraw/zinc/13/44/59/884134459.db2.gz QFEWQQYZGSNDSS-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM C[C@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000032079891 884159860 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DGWRPSKDMPYJBW-OAQYLSRUSA-N -1 3 397.519 3.685 20 0 GHADHM COc1ccc(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)cn1 ZINC001183825036 912863526 /nfs/dbraw/zinc/86/35/26/912863526.db2.gz PHORQBQHOVQXLP-UHFFFAOYSA-N -1 3 391.265 3.578 20 0 GHADHM O=C(Nc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1)C(F)(F)F ZINC000806562663 884815971 /nfs/dbraw/zinc/81/59/71/884815971.db2.gz KMJYIFYXRQENHW-SNAWJCMRSA-N -1 3 386.333 3.503 20 0 GHADHM CCCCc1nc(NC(=O)COc2ccsc2Cl)c(C(=O)OCC)[n-]1 ZINC000556439491 884929683 /nfs/dbraw/zinc/92/96/83/884929683.db2.gz UODNELMJQLPQLW-UHFFFAOYSA-N -1 3 385.873 3.661 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C2CCC2)ccc1F ZINC001130778791 885105679 /nfs/dbraw/zinc/10/56/79/885105679.db2.gz JKBHGUQRJQFEID-QGZVFWFLSA-N -1 3 396.528 3.697 20 0 GHADHM Cc1nc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)ccc2n1-c1ccccc1 ZINC000026255265 885184381 /nfs/dbraw/zinc/18/43/81/885184381.db2.gz IUAQQMRJSHTPRZ-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM Cc1nc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)ccc2n1-c1ccccc1 ZINC000026255265 885184387 /nfs/dbraw/zinc/18/43/87/885184387.db2.gz IUAQQMRJSHTPRZ-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(OCc2cccnc2)cc1 ZINC000053504378 885286305 /nfs/dbraw/zinc/28/63/05/885286305.db2.gz JOBVAFSFGMJQBV-INIZCTEOSA-N -1 3 399.450 3.993 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(OCc2cccnc2)cc1 ZINC000053504380 885286539 /nfs/dbraw/zinc/28/65/39/885286539.db2.gz JOBVAFSFGMJQBV-MRXNPFEDSA-N -1 3 399.450 3.993 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N3c4ccccc4CC[C@@H]3C)n[n-]2)o1 ZINC000919329530 885348503 /nfs/dbraw/zinc/34/85/03/885348503.db2.gz OUMDYJKZZCQYSA-ZDUSSCGKSA-N -1 3 379.416 3.503 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N3c4ccccc4CC[C@@H]3C)[n-]n2)o1 ZINC000919329530 885348519 /nfs/dbraw/zinc/34/85/19/885348519.db2.gz OUMDYJKZZCQYSA-ZDUSSCGKSA-N -1 3 379.416 3.503 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(OC)CCC(F)(F)CC3)c2)n1 ZINC000666587401 885366073 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Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)s1 ZINC001212110710 885570586 /nfs/dbraw/zinc/57/05/86/885570586.db2.gz NVVQGIFLIQWKSD-GXFFZTMASA-N -1 3 390.299 3.793 20 0 GHADHM CCN(C(=O)c1nnc2ccccc2c1[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000118340756 885627448 /nfs/dbraw/zinc/62/74/48/885627448.db2.gz BYKKJMFXBYSHOE-JOCHJYFZSA-N -1 3 398.466 3.878 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)c(=O)[n-]1 ZINC000108296518 885680694 /nfs/dbraw/zinc/68/06/94/885680694.db2.gz OZTBECIRLIULFY-UHFFFAOYSA-N -1 3 381.520 3.681 20 0 GHADHM C[C@H]([N-]C(=O)c1c(Cl)nccc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000862030785 886066623 /nfs/dbraw/zinc/06/66/23/886066623.db2.gz HQWSAYUEOBHTTG-BYPYZUCNSA-N -1 3 388.655 3.647 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(F)c(F)c(F)c1 ZINC000131446821 886088361 /nfs/dbraw/zinc/08/83/61/886088361.db2.gz DMYXVTGGXHTUDA-UHFFFAOYSA-N -1 3 375.144 3.894 20 0 GHADHM CN(C)C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC001184108635 913006814 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COc1cccc2c1n[n-]c2C(=O)OCc1nc(-c2cccc(Cl)c2)no1 ZINC000808673456 886669911 /nfs/dbraw/zinc/66/99/11/886669911.db2.gz PJUGMOMYWBCXTN-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1n[n-]c2c1cccc2OC ZINC000808677062 886676989 /nfs/dbraw/zinc/67/69/89/886676989.db2.gz XEZYCZQQXAKDCV-ZDUSSCGKSA-N -1 3 395.459 3.880 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1[n-]nc2c1cccc2OC ZINC000808677062 886677003 /nfs/dbraw/zinc/67/70/03/886677003.db2.gz XEZYCZQQXAKDCV-ZDUSSCGKSA-N -1 3 395.459 3.880 20 0 GHADHM O=C(C=Cc1ccccc1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131498179 886901414 /nfs/dbraw/zinc/90/14/14/886901414.db2.gz SNIDINBCQYNVFN-IZZDOVSWSA-N -1 3 387.848 3.548 20 0 GHADHM O=C(C=Cc1ccccc1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131498179 886901424 /nfs/dbraw/zinc/90/14/24/886901424.db2.gz SNIDINBCQYNVFN-IZZDOVSWSA-N -1 3 387.848 3.548 20 0 GHADHM O=C(Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)C1(F)CCCCC1 ZINC001131498320 886902106 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O=c1cc(C(F)(F)F)nc(C[S@@](=O)[C@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC000794775042 888011293 /nfs/dbraw/zinc/01/12/93/888011293.db2.gz MDSNDNDKMYYKHC-APXPCNQMSA-N -1 3 376.787 3.791 20 0 GHADHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000055266147 888127074 /nfs/dbraw/zinc/12/70/74/888127074.db2.gz LLBOLLLUMOSMRG-UHFFFAOYSA-N -1 3 382.700 3.520 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055281334 888129596 /nfs/dbraw/zinc/12/95/96/888129596.db2.gz GPXHCTDWKIIWAS-CYBMUJFWSA-N -1 3 386.448 3.639 20 0 GHADHM CCCn1c(SCc2nc3c(c(=O)[n-]2)COCC3)nnc1-c1cccc(C)c1 ZINC000865346226 888307145 /nfs/dbraw/zinc/30/71/45/888307145.db2.gz IFFKLXWSVGQWHM-UHFFFAOYSA-N -1 3 397.504 3.524 20 0 GHADHM CC[C@H](C)CONC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000794842828 888419499 /nfs/dbraw/zinc/41/94/99/888419499.db2.gz MQSLOVAOFVZENY-AWEZNQCLSA-N -1 3 390.505 3.812 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC001184521642 913256049 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GHADHM Cc1nc(-c2ccc(NC(=O)NCCCOCc3ccccc3)cc2)cc(=O)[n-]1 ZINC000916211021 888832911 /nfs/dbraw/zinc/83/29/11/888832911.db2.gz JOMFJBGBIZREJS-UHFFFAOYSA-N -1 3 392.459 3.886 20 0 GHADHM C[C@H](CO[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)NC(=O)OC(C)(C)C ZINC000810817804 888895457 /nfs/dbraw/zinc/89/54/57/888895457.db2.gz OFJSUPJKUJZVJV-MRVPVSSYSA-N -1 3 398.328 3.558 20 0 GHADHM O=c1[n-]c(CN[C@H]2CCCSc3ccc(Cl)cc32)nc2c1COCC2 ZINC000866630242 888985103 /nfs/dbraw/zinc/98/51/03/888985103.db2.gz ZXUKYRPBNNSFJN-AWEZNQCLSA-N -1 3 377.897 3.625 20 0 GHADHM Cc1cc(C)c(/C=C\C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000810904988 889012859 /nfs/dbraw/zinc/01/28/59/889012859.db2.gz MBSHREBFWVQGPW-WLMCBFPDSA-N -1 3 382.426 3.542 20 0 GHADHM CCOC(=O)/C(=C\c1ccc(OC)c([O-])c1Br)c1ncccc1C ZINC000794948185 889037137 /nfs/dbraw/zinc/03/71/37/889037137.db2.gz DZIOAWZLSDQSNJ-RAXLEYEMSA-N -1 3 392.249 3.970 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1COc2ccccc21 ZINC000532856273 889094293 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C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000811393682 889534883 /nfs/dbraw/zinc/53/48/83/889534883.db2.gz CNFXKUVCNOEIRE-SECBINFHSA-N -1 3 380.828 3.884 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCOC(C)C)cc1 ZINC000063304998 889564535 /nfs/dbraw/zinc/56/45/35/889564535.db2.gz NQDXTOVGSVLPNV-UHFFFAOYSA-N -1 3 390.505 3.858 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000124436167 889630748 /nfs/dbraw/zinc/63/07/48/889630748.db2.gz IXNCTJAIZWRMFN-UHFFFAOYSA-N -1 3 385.427 3.941 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000124436167 889630758 /nfs/dbraw/zinc/63/07/58/889630758.db2.gz IXNCTJAIZWRMFN-UHFFFAOYSA-N -1 3 385.427 3.941 20 0 GHADHM CO[C@H](C)c1nsc([N-]C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)n1 ZINC000811498037 889649206 /nfs/dbraw/zinc/64/92/06/889649206.db2.gz IWOGWQQXSJDAIF-SECBINFHSA-N -1 3 398.510 3.931 20 0 GHADHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000533119279 889817309 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O=S(=O)(C=Cc1cccc(Br)c1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811832219 890017117 /nfs/dbraw/zinc/01/71/17/890017117.db2.gz MTONLYBTNXEYJG-PLNGDYQASA-N -1 3 396.188 3.604 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1C ZINC000125581576 890043313 /nfs/dbraw/zinc/04/33/13/890043313.db2.gz YILZFGUVXHKIFY-UHFFFAOYSA-N -1 3 386.429 3.650 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811880697 890083348 /nfs/dbraw/zinc/08/33/48/890083348.db2.gz NNBUYDOMJPFBOH-ZBFHGGJFSA-N -1 3 391.478 3.836 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1 ZINC000916729940 890140329 /nfs/dbraw/zinc/14/03/29/890140329.db2.gz KPKOYKCEYARSMS-HZPDHXFCSA-N -1 3 392.496 3.857 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000812026220 890235580 /nfs/dbraw/zinc/23/55/80/890235580.db2.gz IVEVNZUWRHLZPC-GDBMZVCRSA-N -1 3 391.478 3.836 20 0 GHADHM CCCCC1CCC(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812274978 890494898 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GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)cc1F ZINC001211998609 891077318 /nfs/dbraw/zinc/07/73/18/891077318.db2.gz GZPRVKGWXKPDCM-UHFFFAOYSA-N -1 3 377.359 3.564 20 0 GHADHM C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169220 891193846 /nfs/dbraw/zinc/19/38/46/891193846.db2.gz KLGVOQITRXQUBX-VRHCTWJESA-N -1 3 375.856 3.704 20 0 GHADHM Cc1cc(C(F)(F)F)nn1CC[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC001133570683 891229206 /nfs/dbraw/zinc/22/92/06/891229206.db2.gz NBMSTLCQOKLFIC-UHFFFAOYSA-N -1 3 381.732 3.772 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2)C1 ZINC000872323571 891238447 /nfs/dbraw/zinc/23/84/47/891238447.db2.gz LTHAQXMKPQRLTP-CABCVRRESA-N -1 3 379.863 3.636 20 0 GHADHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2F)c1 ZINC000872406823 891255215 /nfs/dbraw/zinc/25/52/15/891255215.db2.gz LWLXMZFYEIWVTO-UHFFFAOYSA-N -1 3 376.453 3.596 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825615567 891276280 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O=C(COc1ccc(C(=O)c2ccccc2)cc1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497568612 891907182 /nfs/dbraw/zinc/90/71/82/891907182.db2.gz WIJYRBAMADGXSA-UHFFFAOYSA-N -1 3 397.434 3.747 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3cc(F)cc(F)c3)s2)c2ccccc21 ZINC000874024313 891945503 /nfs/dbraw/zinc/94/55/03/891945503.db2.gz HHQANGVEVAPKDR-YVLHZVERSA-N -1 3 397.406 3.735 20 0 GHADHM C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c([N-]C(=O)c2cc(Cl)no2)c1 ZINC000874085636 891985682 /nfs/dbraw/zinc/98/56/82/891985682.db2.gz AOSJIKXWXLOSNI-NSHDSACASA-N -1 3 394.834 3.532 20 0 GHADHM CC(C)(C)OC(=O)/C=C/c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)co1 ZINC000874133667 892008100 /nfs/dbraw/zinc/00/81/00/892008100.db2.gz NIZFPMLLBBMEET-SNAWJCMRSA-N -1 3 389.355 3.757 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc2c(cc1[O-])OCO2 ZINC000444537241 892243990 /nfs/dbraw/zinc/24/39/90/892243990.db2.gz YHTBVKLXJBIHIT-UHFFFAOYSA-N -1 3 377.400 3.573 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1Cl)c1cnc(Cl)nc1 ZINC001185069897 913643693 /nfs/dbraw/zinc/64/36/93/913643693.db2.gz SNUNPYTZKAQPBQ-UHFFFAOYSA-N -1 3 387.075 3.569 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1nc2ccccc2n1C(F)F ZINC001185077586 913651691 /nfs/dbraw/zinc/65/16/91/913651691.db2.gz IOFZTRNSEYZJLO-SNVBAGLBSA-N -1 3 399.394 3.619 20 0 GHADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000666829797 892337644 /nfs/dbraw/zinc/33/76/44/892337644.db2.gz DRJRWORCOMLDRS-CYBMUJFWSA-N -1 3 378.432 3.535 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000128744548 892358479 /nfs/dbraw/zinc/35/84/79/892358479.db2.gz FKALPTNCPXYCKT-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM CCn1c(SCC(=O)Nc2cccc([O-])c2F)nnc1-c1cccc(C)c1 ZINC000128745421 892360010 /nfs/dbraw/zinc/36/00/10/892360010.db2.gz AHBGTWZAVQDJBX-UHFFFAOYSA-N -1 3 386.452 3.849 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccncc1Oc1ccccc1 ZINC001185083637 913655919 /nfs/dbraw/zinc/65/59/19/913655919.db2.gz CCKHWJJGGMJKPT-UHFFFAOYSA-N -1 3 376.384 3.516 20 0 GHADHM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000262911017 892378404 /nfs/dbraw/zinc/37/84/04/892378404.db2.gz JONILZMTATXXIL-AWEZNQCLSA-N -1 3 394.924 3.842 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1F ZINC000917735420 892446746 /nfs/dbraw/zinc/44/67/46/892446746.db2.gz DBNJFQRNOMGNRK-UHFFFAOYSA-N -1 3 393.436 3.735 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)ccc3Br)nc21 ZINC000162461393 892518909 /nfs/dbraw/zinc/51/89/09/892518909.db2.gz KZEBLJQDPVVAQU-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C[C@@H]1C ZINC000421679624 892578670 /nfs/dbraw/zinc/57/86/70/892578670.db2.gz MKBRRZGABMAEDH-KXUCPTDWSA-N -1 3 382.224 3.641 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000428604267 892660486 /nfs/dbraw/zinc/66/04/86/892660486.db2.gz STLDKJOTKOIWBK-UHFFFAOYSA-N -1 3 393.786 3.663 20 0 GHADHM COc1ccc(Br)c(CN(C)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000428614894 892757575 /nfs/dbraw/zinc/75/75/75/892757575.db2.gz CTVAHBUGTGKKBG-UHFFFAOYSA-N -1 3 397.244 3.644 20 0 GHADHM CC[C@@H]1CCCc2sc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)nc21 ZINC001134519083 892964450 /nfs/dbraw/zinc/96/44/50/892964450.db2.gz NETMSADNVWZNAB-SNVBAGLBSA-N -1 3 399.563 3.537 20 0 GHADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000498020763 892984781 /nfs/dbraw/zinc/98/47/81/892984781.db2.gz SNGRJPUVRATVLF-UHFFFAOYSA-N -1 3 394.468 3.850 20 0 GHADHM COCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1cc(Cl)cc(Cl)c1 ZINC000876299899 893063295 /nfs/dbraw/zinc/06/32/95/893063295.db2.gz VLZHFFAAFTVTQX-UHFFFAOYSA-N -1 3 398.290 3.718 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OC2CCC2)cc1Cl ZINC000129143747 893100137 /nfs/dbraw/zinc/10/01/37/893100137.db2.gz LZBCUBNPFXKMCS-UHFFFAOYSA-N -1 3 394.880 3.895 20 0 GHADHM O=c1[n-]c(SCc2cnc(C3CC3)o2)nc2c1cnn2Cc1ccccc1 ZINC000918096329 893112515 /nfs/dbraw/zinc/11/25/15/893112515.db2.gz SRUJMZRFXHEMKB-UHFFFAOYSA-N -1 3 379.445 3.738 20 0 GHADHM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000876395539 893124689 /nfs/dbraw/zinc/12/46/89/893124689.db2.gz LANXVWRCLOHECK-UHFFFAOYSA-N -1 3 376.888 3.644 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1nc(C2CC2)no1 ZINC000069128781 893163859 /nfs/dbraw/zinc/16/38/59/893163859.db2.gz AKIYUFLEOUHDQU-QGZVFWFLSA-N -1 3 375.494 3.501 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)cc1F ZINC001185317673 913773842 /nfs/dbraw/zinc/77/38/42/913773842.db2.gz NQTKHCNHKJEAIZ-UHFFFAOYSA-N -1 3 381.444 3.978 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000815184622 893529627 /nfs/dbraw/zinc/52/96/27/893529627.db2.gz FNOJOBZICMDXSF-XPTSAGLGSA-N -1 3 385.222 3.980 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)c1 ZINC000536694190 893543378 /nfs/dbraw/zinc/54/33/78/893543378.db2.gz VBAOEXJQERZUDE-UHFFFAOYSA-N -1 3 391.427 3.863 20 0 GHADHM Cc1ccc(CNCc2cccc([O-])c2Br)c(N2CCOCC2)c1 ZINC000459439434 893553561 /nfs/dbraw/zinc/55/35/61/893553561.db2.gz IVOPAQKTJLITPY-UHFFFAOYSA-N -1 3 391.309 3.590 20 0 GHADHM CC(C)[C@@H](NCc1cccc([O-])c1Br)c1nnc2ccccn21 ZINC000459470391 893607002 /nfs/dbraw/zinc/60/70/02/893607002.db2.gz UHGSPSORWPISJJ-MRXNPFEDSA-N -1 3 375.270 3.684 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc4c(c3)CCCCC4=O)nc21 ZINC001134940467 893647028 /nfs/dbraw/zinc/64/70/28/893647028.db2.gz HBPKROGYYCQPJE-UHFFFAOYSA-N -1 3 391.427 3.901 20 0 GHADHM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563376763 893680641 /nfs/dbraw/zinc/68/06/41/893680641.db2.gz KQBXBRROHZXTQN-UHFFFAOYSA-N -1 3 394.475 3.683 20 0 GHADHM CCCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccccc1C ZINC000563386385 893685667 /nfs/dbraw/zinc/68/56/67/893685667.db2.gz HBFQMQOAZHLLKO-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000069651460 893690249 /nfs/dbraw/zinc/69/02/49/893690249.db2.gz MAIUPKOKMYJRGA-VQIMIIECSA-N -1 3 377.444 3.760 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1OCC ZINC000615136097 893746396 /nfs/dbraw/zinc/74/63/96/893746396.db2.gz PFCBMYULFZZTNR-UHFFFAOYSA-N -1 3 397.431 3.668 20 0 GHADHM CCOc1cc(CNc2cccc(S(=O)(=O)N(C)C)c2C)cc(Cl)c1[O-] ZINC000459566095 893833763 /nfs/dbraw/zinc/83/37/63/893833763.db2.gz VWYHIGVSANCNQW-UHFFFAOYSA-N -1 3 398.912 3.615 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(Oc3ccc(F)cc3F)CC2)o1 ZINC000877969831 893920762 /nfs/dbraw/zinc/92/07/62/893920762.db2.gz CVJXWOQNPPYLNO-UHFFFAOYSA-N -1 3 387.386 3.764 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c(=O)[n-]1 ZINC000288611181 913820272 /nfs/dbraw/zinc/82/02/72/913820272.db2.gz OXFXCZAVYBZUNY-AWEZNQCLSA-N -1 3 392.459 3.796 20 0 GHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000563737877 894128118 /nfs/dbraw/zinc/12/81/18/894128118.db2.gz GZVGYNQNBHCZGL-MRVPVSSYSA-N -1 3 397.216 3.617 20 0 GHADHM O=c1[n-]c(CN2CCC(Sc3ccc(Cl)cc3)CC2)nc2c1COCC2 ZINC000878285824 894161509 /nfs/dbraw/zinc/16/15/09/894161509.db2.gz GYXVZDWCCYZHNP-UHFFFAOYSA-N -1 3 391.924 3.665 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000878476976 894323153 /nfs/dbraw/zinc/32/31/53/894323153.db2.gz SRCDACVHVPSRBI-JOCHJYFZSA-N -1 3 377.444 3.913 20 0 GHADHM O=c1[n-]c(CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)nc2c1COCC2 ZINC000878503805 894343012 /nfs/dbraw/zinc/34/30/12/894343012.db2.gz YKUJHHPZLIWGHW-UHFFFAOYSA-N -1 3 399.800 3.706 20 0 GHADHM CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000815973968 894347105 /nfs/dbraw/zinc/34/71/05/894347105.db2.gz USIKMWKSNSFMKL-SFHVURJKSA-N -1 3 381.432 3.549 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)o1 ZINC000878560182 894384803 /nfs/dbraw/zinc/38/48/03/894384803.db2.gz FIZPTNHZBJCQRA-HXUWFJFHSA-N -1 3 385.851 3.587 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)o1 ZINC000878560181 894384993 /nfs/dbraw/zinc/38/49/93/894384993.db2.gz FIZPTNHZBJCQRA-FQEVSTJZSA-N -1 3 385.851 3.587 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000878708623 894524949 /nfs/dbraw/zinc/52/49/49/894524949.db2.gz UEKSFUVQQQZIRC-UHFFFAOYSA-N -1 3 380.448 3.607 20 0 GHADHM COC[C@H](C)N(Cc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCc2ccccc21 ZINC000879066042 894817506 /nfs/dbraw/zinc/81/75/06/894817506.db2.gz ZMJXFUYRCFLTIP-HNAYVOBHSA-N -1 3 379.460 3.967 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC000816612719 894974654 /nfs/dbraw/zinc/97/46/54/894974654.db2.gz WYKBQCNOWHSUEE-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 ZINC000564489503 895033892 /nfs/dbraw/zinc/03/38/92/895033892.db2.gz WHRFWXBNWUUXFS-UHFFFAOYSA-N -1 3 397.287 3.824 20 0 GHADHM O=C(CCN1C(=S)N=NC1c1cccs1)Nc1c([O-])cccc1Cl ZINC000816768902 895044877 /nfs/dbraw/zinc/04/48/77/895044877.db2.gz MLDHACMPIWGCPX-UHFFFAOYSA-N -1 3 380.882 3.683 20 0 GHADHM Cc1cnc([C@@H](C)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cn1 ZINC000879467291 895077756 /nfs/dbraw/zinc/07/77/56/895077756.db2.gz FSTXRLUCVVKLQN-ZIAGYGMSSA-N -1 3 378.398 3.518 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(C)c1F ZINC001185530157 913943622 /nfs/dbraw/zinc/94/36/22/913943622.db2.gz VZYGFNLXBVVMNM-UHFFFAOYSA-N -1 3 389.807 3.822 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000817209402 895394540 /nfs/dbraw/zinc/39/45/40/895394540.db2.gz TYZKIVLFBULKHA-UHFFFAOYSA-N -1 3 394.899 3.909 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000880230662 895584665 /nfs/dbraw/zinc/58/46/65/895584665.db2.gz MSFKSNSBBLGUQW-UWVGGRQHSA-N -1 3 381.420 3.803 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000880230662 895584673 /nfs/dbraw/zinc/58/46/73/895584673.db2.gz MSFKSNSBBLGUQW-UWVGGRQHSA-N -1 3 381.420 3.803 20 0 GHADHM O=C(Nc1cccc(C2CCC2)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000565573909 895733118 /nfs/dbraw/zinc/73/31/18/895733118.db2.gz WHMNIUAPQDXFTH-UHFFFAOYSA-N -1 3 379.460 3.650 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000826169852 895733302 /nfs/dbraw/zinc/73/33/02/895733302.db2.gz HPFHJTIXFNOASR-LJQANCHMSA-N -1 3 395.463 3.955 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000880515132 895737011 /nfs/dbraw/zinc/73/70/11/895737011.db2.gz RHRLUEHCDHSJPJ-UHFFFAOYSA-N -1 3 384.288 3.516 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000565580918 895738900 /nfs/dbraw/zinc/73/89/00/895738900.db2.gz FYOSZLMXDMYOTA-MRXNPFEDSA-N -1 3 390.871 3.695 20 0 GHADHM Nc1ccc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c([O-])c1 ZINC000817959654 895978254 /nfs/dbraw/zinc/97/82/54/895978254.db2.gz FRSFRWVQZCPJFI-ZDUSSCGKSA-N -1 3 381.259 3.965 20 0 GHADHM Nc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000817998167 895982541 /nfs/dbraw/zinc/98/25/41/895982541.db2.gz DCXFPQADGKBJSD-UHFFFAOYSA-N -1 3 375.266 3.757 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)cccc1C(F)(F)F)c1ccc(Cl)nc1 ZINC001185696640 914025638 /nfs/dbraw/zinc/02/56/38/914025638.db2.gz DDYZXCSPWRPYQT-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CN(C)CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCCCC1 ZINC000565990321 896032125 /nfs/dbraw/zinc/03/21/25/896032125.db2.gz MXIIISIORMNYLK-UHFFFAOYSA-N -1 3 390.915 3.568 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)cc1Cl ZINC000566135647 896133224 /nfs/dbraw/zinc/13/32/24/896133224.db2.gz MUAUEVPTBSFBRO-QWHCGFSZSA-N -1 3 388.892 3.685 20 0 GHADHM C[C@@H](SC[C@H]1CN(C)CCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000566214732 896175303 /nfs/dbraw/zinc/17/53/03/896175303.db2.gz NTYZPGSGAGFRSF-VXGBXAGGSA-N -1 3 391.518 3.782 20 0 GHADHM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4cc(C(C)C)n[nH]4)C3)cnc2n1 ZINC000881455830 896340097 /nfs/dbraw/zinc/34/00/97/896340097.db2.gz ZBAKJQJLPIZOFM-CQSZACIVSA-N -1 3 379.464 3.510 20 0 GHADHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](c3cc(C(C)C)n[nH]3)C1)c2=O ZINC000881455830 896340113 /nfs/dbraw/zinc/34/01/13/896340113.db2.gz ZBAKJQJLPIZOFM-CQSZACIVSA-N -1 3 379.464 3.510 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000826236379 896592734 /nfs/dbraw/zinc/59/27/34/896592734.db2.gz JOWWRVVSBQSGAO-UHFFFAOYSA-N -1 3 396.760 3.568 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000826236379 896592742 /nfs/dbraw/zinc/59/27/42/896592742.db2.gz JOWWRVVSBQSGAO-UHFFFAOYSA-N -1 3 396.760 3.568 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1OC1CCCC1 ZINC000566922972 896700417 /nfs/dbraw/zinc/70/04/17/896700417.db2.gz DBMSBYMYJDRKLF-CYBMUJFWSA-N -1 3 397.475 3.881 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCCC(=O)c1ccccc1 ZINC000826253114 896706155 /nfs/dbraw/zinc/70/61/55/896706155.db2.gz FVCSWELRXULIEW-UHFFFAOYSA-N -1 3 378.432 3.662 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCCC(=O)c1ccccc1 ZINC000826253114 896706162 /nfs/dbraw/zinc/70/61/62/896706162.db2.gz FVCSWELRXULIEW-UHFFFAOYSA-N -1 3 378.432 3.662 20 0 GHADHM O=c1cc(CNc2nn3cc(-c4ccccc4)nc3s2)nc(C2CCC2)[n-]1 ZINC000882686167 896897916 /nfs/dbraw/zinc/89/79/16/896897916.db2.gz RVEAJWHQCOSYCL-UHFFFAOYSA-N -1 3 378.461 3.833 20 0 GHADHM Cc1ccc(CCC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000826287413 896941887 /nfs/dbraw/zinc/94/18/87/896941887.db2.gz NZMXYKBQTVAYBW-UHFFFAOYSA-N -1 3 387.443 3.684 20 0 GHADHM Cc1ccc(CCC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826287413 896941901 /nfs/dbraw/zinc/94/19/01/896941901.db2.gz NZMXYKBQTVAYBW-UHFFFAOYSA-N -1 3 387.443 3.684 20 0 GHADHM O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc([O-])cc(Br)c1 ZINC001136260558 896961387 /nfs/dbraw/zinc/96/13/87/896961387.db2.gz QVPNHVXGWVEOJG-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)C1CC1 ZINC000025771237 896985461 /nfs/dbraw/zinc/98/54/61/896985461.db2.gz KWDKRCXRBPXGJX-NSHDSACASA-N -1 3 396.871 3.808 20 0 GHADHM CCc1ccc(C(=O)N2CC3CCC2(CNC(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000819869262 897023690 /nfs/dbraw/zinc/02/36/90/897023690.db2.gz JLFBYTWMBCGYCY-UHFFFAOYSA-N -1 3 388.508 3.864 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2cccs2)o1 ZINC000820155583 897196407 /nfs/dbraw/zinc/19/64/07/897196407.db2.gz SGWXTQYTPLFATH-UHFFFAOYSA-N -1 3 382.449 3.983 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2cccs2)o1 ZINC000820155583 897196415 /nfs/dbraw/zinc/19/64/15/897196415.db2.gz SGWXTQYTPLFATH-UHFFFAOYSA-N -1 3 382.449 3.983 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H](C4CCOCC4)C3)nc2)n1 ZINC000883010973 897201690 /nfs/dbraw/zinc/20/16/90/897201690.db2.gz GSIIAKRRWKZECY-GOSISDBHSA-N -1 3 382.508 3.840 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339221 897279947 /nfs/dbraw/zinc/27/99/47/897279947.db2.gz ACELZYXMSARCGD-RZQQEMMASA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339221 897279963 /nfs/dbraw/zinc/27/99/63/897279963.db2.gz ACELZYXMSARCGD-RZQQEMMASA-N -1 3 390.491 3.590 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@](C(=O)[O-])(c4ccccc4)C3)co2)cc1 ZINC000567596770 897281025 /nfs/dbraw/zinc/28/10/25/897281025.db2.gz PKWSJTVQADOJOT-HSZRJFAPSA-N -1 3 392.455 3.969 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820563720 897396997 /nfs/dbraw/zinc/39/69/97/897396997.db2.gz UKGFHPSCIBHZEU-CYBMUJFWSA-N -1 3 386.862 3.542 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](c2ccccc2)O1 ZINC000820767565 897515518 /nfs/dbraw/zinc/51/55/18/897515518.db2.gz ITMWLYGUOLYCSU-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](c2ccccc2)O1 ZINC000820767565 897515527 /nfs/dbraw/zinc/51/55/27/897515527.db2.gz ITMWLYGUOLYCSU-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cnc(Cl)cc1Cl ZINC000820799471 897557134 /nfs/dbraw/zinc/55/71/34/897557134.db2.gz RLRHWWPINDIEFH-UHFFFAOYSA-N -1 3 377.297 3.659 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821001940 897662619 /nfs/dbraw/zinc/66/26/19/897662619.db2.gz UCJLQZQBPHIGBR-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821001940 897662629 /nfs/dbraw/zinc/66/26/29/897662629.db2.gz UCJLQZQBPHIGBR-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM O=C1c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2CC1(Cl)Cl ZINC000821118906 897718555 /nfs/dbraw/zinc/71/85/55/897718555.db2.gz GPJBDHMXNLRWHF-UHFFFAOYSA-N -1 3 392.210 3.678 20 0 GHADHM O=C(C[C@H](n1ccnc1)C(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000821142208 897738359 /nfs/dbraw/zinc/73/83/59/897738359.db2.gz AEGYLNQPVBGWES-LBPRGKRZSA-N -1 3 381.276 3.643 20 0 GHADHM O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc([O-])ccc1Cl ZINC000568331627 897747313 /nfs/dbraw/zinc/74/73/13/897747313.db2.gz JQYPRPNVGNOUQA-UHFFFAOYSA-N -1 3 394.180 3.955 20 0 GHADHM Cc1c([N-]S(=O)(=O)CC2Cc3ccccc3C2)cnn1-c1cc(C)ccc1C ZINC000821192869 897755980 /nfs/dbraw/zinc/75/59/80/897755980.db2.gz YSTYSXGVSIWKQF-UHFFFAOYSA-N -1 3 395.528 3.954 20 0 GHADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)C1CCC(C(F)(F)F)CC1 ZINC000568357852 897775717 /nfs/dbraw/zinc/77/57/17/897775717.db2.gz CIRREBHQEVOKNF-UHFFFAOYSA-N -1 3 379.429 3.569 20 0 GHADHM Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826337781 897787536 /nfs/dbraw/zinc/78/75/36/897787536.db2.gz AXEBRDGIQRHBNU-LBPRGKRZSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826337781 897787540 /nfs/dbraw/zinc/78/75/40/897787540.db2.gz AXEBRDGIQRHBNU-LBPRGKRZSA-N -1 3 388.431 3.630 20 0 GHADHM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000568432459 897830793 /nfs/dbraw/zinc/83/07/93/897830793.db2.gz XNHUKPJFFHVIPR-AWEZNQCLSA-N -1 3 386.471 3.707 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275484125 914203775 /nfs/dbraw/zinc/20/37/75/914203775.db2.gz WZONUTVNTHWNMV-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275484125 914203786 /nfs/dbraw/zinc/20/37/86/914203786.db2.gz WZONUTVNTHWNMV-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275483668 914211599 /nfs/dbraw/zinc/21/15/99/914211599.db2.gz PUCQVABZRSTKKE-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275483668 914211610 /nfs/dbraw/zinc/21/16/10/914211610.db2.gz PUCQVABZRSTKKE-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]N1CCCCC1=O ZINC000102642327 898020764 /nfs/dbraw/zinc/02/07/64/898020764.db2.gz GVAPTEPJYXFXMB-SNAWJCMRSA-N -1 3 380.288 3.781 20 0 GHADHM COC(=O)c1cccc(NC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000568701169 898046004 /nfs/dbraw/zinc/04/60/04/898046004.db2.gz QAOYGDBESRDVSF-UHFFFAOYSA-N -1 3 388.851 3.549 20 0 GHADHM COc1ccc(N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000821828531 898083872 /nfs/dbraw/zinc/08/38/72/898083872.db2.gz WKBPDQNMURYFFG-UHFFFAOYSA-N -1 3 392.847 3.501 20 0 GHADHM COc1ccc(N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000821828531 898083881 /nfs/dbraw/zinc/08/38/81/898083881.db2.gz WKBPDQNMURYFFG-UHFFFAOYSA-N -1 3 392.847 3.501 20 0 GHADHM FC(F)(F)[C@@H](NCc1ccn(C2CCCC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367236 898151147 /nfs/dbraw/zinc/15/11/47/898151147.db2.gz QOFFDJQLMCQEOO-INIZCTEOSA-N -1 3 391.401 3.572 20 0 GHADHM FC(F)(F)[C@@H](NCc1ccn(C2CCCC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367236 898151156 /nfs/dbraw/zinc/15/11/56/898151156.db2.gz QOFFDJQLMCQEOO-INIZCTEOSA-N -1 3 391.401 3.572 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822231675 898261447 /nfs/dbraw/zinc/26/14/47/898261447.db2.gz COROTJYUTMLTPC-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822231675 898261462 /nfs/dbraw/zinc/26/14/62/898261462.db2.gz COROTJYUTMLTPC-INIZCTEOSA-N -1 3 388.475 3.735 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 ZINC001186011786 914247328 /nfs/dbraw/zinc/24/73/28/914247328.db2.gz ITGFYZCJISBJIC-UHFFFAOYSA-N -1 3 399.871 3.506 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@@H]1C1CC1 ZINC000569190843 898404255 /nfs/dbraw/zinc/40/42/55/898404255.db2.gz FNKXQXHKWBODKB-LJQANCHMSA-N -1 3 388.464 3.559 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800017568 898507379 /nfs/dbraw/zinc/50/73/79/898507379.db2.gz LSCIQEOEBVPWQE-CQSZACIVSA-N -1 3 395.684 3.775 20 0 GHADHM O=C(CCc1ccccc1F)Nc1ccc(I)cc1[O-] ZINC001296283981 914260678 /nfs/dbraw/zinc/26/06/78/914260678.db2.gz UCPCTBUFFSQBTH-UHFFFAOYSA-N -1 3 385.176 3.707 20 0 GHADHM CCc1cccc(CC)c1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289611615 914263270 /nfs/dbraw/zinc/26/32/70/914263270.db2.gz VTSNGQZYQUBCFT-CYBMUJFWSA-N -1 3 385.430 3.734 20 0 GHADHM CC(C)C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000133539591 898594969 /nfs/dbraw/zinc/59/49/69/898594969.db2.gz DKRQBNZEVURSFN-QGZVFWFLSA-N -1 3 380.441 3.536 20 0 GHADHM FC(F)(F)CCc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822719010 898618353 /nfs/dbraw/zinc/61/83/53/898618353.db2.gz XPKFYDONGYAWOQ-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM FC(F)(F)CCc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822719010 898618364 /nfs/dbraw/zinc/61/83/64/898618364.db2.gz XPKFYDONGYAWOQ-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cc1C ZINC000569663241 898862479 /nfs/dbraw/zinc/86/24/79/898862479.db2.gz BFRZAGUXJFRECF-UHFFFAOYSA-N -1 3 388.489 3.710 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823333151 898969843 /nfs/dbraw/zinc/96/98/43/898969843.db2.gz YQRFOMRXMJPTKK-OXJNMPFZSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823333151 898969851 /nfs/dbraw/zinc/96/98/51/898969851.db2.gz YQRFOMRXMJPTKK-OXJNMPFZSA-N -1 3 379.851 3.753 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2F)cc1Cl ZINC001186094962 914302484 /nfs/dbraw/zinc/30/24/84/914302484.db2.gz QPAYUWJPLVNCDP-UHFFFAOYSA-N -1 3 396.749 3.656 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@@H]1Cc2ccccc21 ZINC000823417968 898989634 /nfs/dbraw/zinc/98/96/34/898989634.db2.gz MNPLVNTXXZXRBO-OAQYLSRUSA-N -1 3 382.423 3.917 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@@H]1Cc2ccccc21 ZINC000823417968 898989645 /nfs/dbraw/zinc/98/96/45/898989645.db2.gz MNPLVNTXXZXRBO-OAQYLSRUSA-N -1 3 382.423 3.917 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c([O-])c2Cl)cc1Cl ZINC001186100606 914305338 /nfs/dbraw/zinc/30/53/38/914305338.db2.gz XRPMFWLLKREQFM-UHFFFAOYSA-N -1 3 389.260 3.767 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000774971924 914310818 /nfs/dbraw/zinc/31/08/18/914310818.db2.gz AHAYMKLTCOWTHF-GFCCVEGCSA-N -1 3 387.793 3.914 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 ZINC000116159900 899251574 /nfs/dbraw/zinc/25/15/74/899251574.db2.gz FGVPFBGHZYNOJM-DEOSSOPVSA-N -1 3 381.519 3.543 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824024462 899370638 /nfs/dbraw/zinc/37/06/38/899370638.db2.gz GAZKTKXZMABEGY-SNVBAGLBSA-N -1 3 384.827 3.605 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824024462 899370652 /nfs/dbraw/zinc/37/06/52/899370652.db2.gz GAZKTKXZMABEGY-SNVBAGLBSA-N -1 3 384.827 3.605 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136829688 899428324 /nfs/dbraw/zinc/42/83/24/899428324.db2.gz ZDCRHKMCUXHANM-CYBMUJFWSA-N -1 3 376.478 3.736 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(Cl)cc2Br)n1 ZINC000824154331 899430755 /nfs/dbraw/zinc/43/07/55/899430755.db2.gz NDQXUDLBWLORLA-UHFFFAOYSA-N -1 3 398.688 3.501 20 0 GHADHM CC(C)COCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270381 899478063 /nfs/dbraw/zinc/47/80/63/899478063.db2.gz DQTHCBDWZROVNU-MRXNPFEDSA-N -1 3 393.491 3.774 20 0 GHADHM CC(C)COCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824270381 899478067 /nfs/dbraw/zinc/47/80/67/899478067.db2.gz DQTHCBDWZROVNU-MRXNPFEDSA-N -1 3 393.491 3.774 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(c2ccccc2)C1 ZINC000824319272 899524514 /nfs/dbraw/zinc/52/45/14/899524514.db2.gz KRZVGWKPXIXNGH-UHFFFAOYSA-N -1 3 390.447 3.585 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(c2ccccc2)C1 ZINC000824319272 899524526 /nfs/dbraw/zinc/52/45/26/899524526.db2.gz KRZVGWKPXIXNGH-UHFFFAOYSA-N -1 3 390.447 3.585 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824371331 899568753 /nfs/dbraw/zinc/56/87/53/899568753.db2.gz AFVFNRNKMQIHEI-UHFFFAOYSA-N -1 3 379.449 3.625 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824371331 899568754 /nfs/dbraw/zinc/56/87/54/899568754.db2.gz AFVFNRNKMQIHEI-UHFFFAOYSA-N -1 3 379.449 3.625 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)n[n-]1 ZINC000332334425 899585013 /nfs/dbraw/zinc/58/50/13/899585013.db2.gz UFFCAKBPKNXVIS-CABCVRRESA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)[n-]1 ZINC000332334425 899585017 /nfs/dbraw/zinc/58/50/17/899585017.db2.gz UFFCAKBPKNXVIS-CABCVRRESA-N -1 3 390.528 3.540 20 0 GHADHM C[C@H](NC(=O)COC1CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477617 899622211 /nfs/dbraw/zinc/62/22/11/899622211.db2.gz AXGRYSMZIILFCC-HNNXBMFYSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)COC1CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477617 899622218 /nfs/dbraw/zinc/62/22/18/899622218.db2.gz AXGRYSMZIILFCC-HNNXBMFYSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479170 899624331 /nfs/dbraw/zinc/62/43/31/899624331.db2.gz LSGLQXMPUTWYPO-QRWLVFNGSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479170 899624349 /nfs/dbraw/zinc/62/43/49/899624349.db2.gz LSGLQXMPUTWYPO-QRWLVFNGSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000570842987 899632551 /nfs/dbraw/zinc/63/25/51/899632551.db2.gz UFTDQULHRLIXHO-NQIIRXRSSA-N -1 3 394.515 3.510 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4c(c3)CCCCC4=O)nc21 ZINC000571011257 899714376 /nfs/dbraw/zinc/71/43/76/899714376.db2.gz XWZIPWWEKZEBLG-UHFFFAOYSA-N -1 3 377.400 3.511 20 0 GHADHM C[C@@H](NCc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824626708 899727214 /nfs/dbraw/zinc/72/72/14/899727214.db2.gz RYYWFEFDGMPUNX-SNVBAGLBSA-N -1 3 381.333 3.755 20 0 GHADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)cc1Cl ZINC000332525093 899736591 /nfs/dbraw/zinc/73/65/91/899736591.db2.gz BTUQCLKJKOUUDP-UHFFFAOYSA-N -1 3 386.879 3.697 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1)c1ccncc1 ZINC000826400621 899767611 /nfs/dbraw/zinc/76/76/11/899767611.db2.gz CPODLNKHTBTTDB-ZHACJKMWSA-N -1 3 382.427 3.508 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1)c1ccncc1 ZINC000826400621 899767618 /nfs/dbraw/zinc/76/76/18/899767618.db2.gz CPODLNKHTBTTDB-ZHACJKMWSA-N -1 3 382.427 3.508 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824907280 899872468 /nfs/dbraw/zinc/87/24/68/899872468.db2.gz HUIRBBSMHCXZJL-WMLDXEAASA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824907280 899872476 /nfs/dbraw/zinc/87/24/76/899872476.db2.gz HUIRBBSMHCXZJL-WMLDXEAASA-N -1 3 377.448 3.820 20 0 GHADHM COc1cc(C(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000571475065 899878950 /nfs/dbraw/zinc/87/89/50/899878950.db2.gz KIVNWRULUNASGL-RBUKOAKNSA-N -1 3 385.460 3.728 20 0 GHADHM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000824883917 899884757 /nfs/dbraw/zinc/88/47/57/899884757.db2.gz PVNOFJMQNQCBRA-OAHLLOKOSA-N -1 3 378.538 3.663 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824937943 899898243 /nfs/dbraw/zinc/89/82/43/899898243.db2.gz SEWCDCVARVIBJJ-QMTHXVAHSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824937943 899898252 /nfs/dbraw/zinc/89/82/52/899898252.db2.gz SEWCDCVARVIBJJ-QMTHXVAHSA-N -1 3 399.442 3.673 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cc1csc(-c3ccc(C(C)C)cc3)n1)C2 ZINC000825028694 899944163 /nfs/dbraw/zinc/94/41/63/899944163.db2.gz PJVQGPOCNRCYNK-UHFFFAOYSA-N -1 3 394.500 3.822 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000825082793 899967738 /nfs/dbraw/zinc/96/77/38/899967738.db2.gz VTDNTZPNRPALDW-QMMMGPOBSA-N -1 3 394.266 3.902 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000825082793 899967747 /nfs/dbraw/zinc/96/77/47/899967747.db2.gz VTDNTZPNRPALDW-QMMMGPOBSA-N -1 3 394.266 3.902 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825114375 899985796 /nfs/dbraw/zinc/98/57/96/899985796.db2.gz MBZQHDIWUHXPJQ-UHFFFAOYSA-N -1 3 399.524 3.925 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825114375 899985805 /nfs/dbraw/zinc/98/58/05/899985805.db2.gz MBZQHDIWUHXPJQ-UHFFFAOYSA-N -1 3 399.524 3.925 20 0 GHADHM CC[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000825159400 900020886 /nfs/dbraw/zinc/02/08/86/900020886.db2.gz OOKVXZCLDRRMIH-CQSZACIVSA-N -1 3 387.896 3.707 20 0 GHADHM CC[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000825159400 900020896 /nfs/dbraw/zinc/02/08/96/900020896.db2.gz OOKVXZCLDRRMIH-CQSZACIVSA-N -1 3 387.896 3.707 20 0 GHADHM CCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCOCC1 ZINC000825164980 900023216 /nfs/dbraw/zinc/02/32/16/900023216.db2.gz OQGKXLCPSPYRSC-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM CCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCOCC1 ZINC000825164980 900023225 /nfs/dbraw/zinc/02/32/25/900023225.db2.gz OQGKXLCPSPYRSC-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825195751 900040363 /nfs/dbraw/zinc/04/03/63/900040363.db2.gz YNAPOTQROQXVRE-RYUDHWBXSA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825195751 900040375 /nfs/dbraw/zinc/04/03/75/900040375.db2.gz YNAPOTQROQXVRE-RYUDHWBXSA-N -1 3 379.917 3.792 20 0 GHADHM CCCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291225 900072545 /nfs/dbraw/zinc/07/25/45/900072545.db2.gz OLMZJPZLWGIDAE-HOTGVXAUSA-N -1 3 393.491 3.916 20 0 GHADHM CCCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291225 900072553 /nfs/dbraw/zinc/07/25/53/900072553.db2.gz OLMZJPZLWGIDAE-HOTGVXAUSA-N -1 3 393.491 3.916 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000825304877 900079983 /nfs/dbraw/zinc/07/99/83/900079983.db2.gz MGCLTGBWZZISGS-OAHLLOKOSA-N -1 3 383.345 3.796 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1Cl ZINC000572551329 900218467 /nfs/dbraw/zinc/21/84/67/900218467.db2.gz RZLCRUNUZTVGAI-GFCCVEGCSA-N -1 3 397.855 3.588 20 0 GHADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)C1CC1 ZINC000025771235 900236721 /nfs/dbraw/zinc/23/67/21/900236721.db2.gz KWDKRCXRBPXGJX-LLVKDONJSA-N -1 3 396.871 3.808 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000826422804 900248360 /nfs/dbraw/zinc/24/83/60/900248360.db2.gz MSTXBKJDFUHZNY-ZGKFYVQTSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000826422804 900248372 /nfs/dbraw/zinc/24/83/72/900248372.db2.gz MSTXBKJDFUHZNY-ZGKFYVQTSA-N -1 3 393.516 3.955 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000843891013 900294731 /nfs/dbraw/zinc/29/47/31/900294731.db2.gz WTCFHDICWKTQRC-BLLLJJGKSA-N -1 3 378.469 3.719 20 0 GHADHM O=C(CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)NCC1CC1 ZINC000573304859 900457097 /nfs/dbraw/zinc/45/70/97/900457097.db2.gz KRNPGKFUNOWDSG-UHFFFAOYSA-N -1 3 381.457 3.524 20 0 GHADHM CCOc1c(F)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC001143747315 900470840 /nfs/dbraw/zinc/47/08/40/900470840.db2.gz YVGSZHCABLPFBP-UHFFFAOYSA-N -1 3 392.858 3.541 20 0 GHADHM Cn1nc(C(C)(C)C)cc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001143799545 900551589 /nfs/dbraw/zinc/55/15/89/900551589.db2.gz NXFJFCFBUXRJJK-UHFFFAOYSA-N -1 3 379.486 3.773 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCCS1 ZINC000826454682 900628801 /nfs/dbraw/zinc/62/88/01/900628801.db2.gz GSQHUWLQAPZJOU-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCCS1 ZINC000826454682 900628808 /nfs/dbraw/zinc/62/88/08/900628808.db2.gz GSQHUWLQAPZJOU-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826456435 900647093 /nfs/dbraw/zinc/64/70/93/900647093.db2.gz DUOCJHAIFMGLFN-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826456435 900647104 /nfs/dbraw/zinc/64/71/04/900647104.db2.gz DUOCJHAIFMGLFN-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)c1 ZINC001143895478 900726751 /nfs/dbraw/zinc/72/67/51/900726751.db2.gz WKVGCCXLJIVDKF-FQEVSTJZSA-N -1 3 381.472 3.921 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000574386538 900875247 /nfs/dbraw/zinc/87/52/47/900875247.db2.gz MGOBYNGLOIZBNX-CQSZACIVSA-N -1 3 393.406 3.644 20 0 GHADHM CC(C)CN1Cc2cccc(NC(=O)CSc3n[n-]c(=S)s3)c2C1 ZINC000092408185 901493734 /nfs/dbraw/zinc/49/37/34/901493734.db2.gz ZPRNTHBCTGBPTF-UHFFFAOYSA-N -1 3 380.564 3.529 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)cc3O)nc(=O)c2c1C ZINC000004938691 901590401 /nfs/dbraw/zinc/59/04/01/901590401.db2.gz VPZHDMHLPGWYQF-QMMMGPOBSA-N -1 3 378.837 3.878 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1C ZINC000576067312 901643538 /nfs/dbraw/zinc/64/35/38/901643538.db2.gz PRHHTYFUMAUUKI-UHFFFAOYSA-N -1 3 377.462 3.583 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)sc1Cl ZINC000576149859 901727546 /nfs/dbraw/zinc/72/75/46/901727546.db2.gz RGVVWHDAYVTQLF-GFCCVEGCSA-N -1 3 379.956 3.810 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(O)(C(F)(F)F)CC1 ZINC000122167173 901738898 /nfs/dbraw/zinc/73/88/98/901738898.db2.gz LNSOUKRMIQUBNB-UHFFFAOYSA-N -1 3 381.350 3.714 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000576282014 901909384 /nfs/dbraw/zinc/90/93/84/901909384.db2.gz RBNKRHNRZFEUSX-LSDHHAIUSA-N -1 3 394.443 3.637 20 0 GHADHM Nc1ccc(C(=O)OCc2cccc(C(=O)N3CCCCC3)c2)c([O-])c1Cl ZINC000845192935 901926046 /nfs/dbraw/zinc/92/60/46/901926046.db2.gz IKJMXHSFFIXBTB-UHFFFAOYSA-N -1 3 388.851 3.611 20 0 GHADHM CCc1cc2c(CSc3nc(C)c(C)n3CCOC)cc(=O)oc2cc1[O-] ZINC000047560932 902148058 /nfs/dbraw/zinc/14/80/58/902148058.db2.gz DJNIVHZWABJJPI-UHFFFAOYSA-N -1 3 388.489 3.813 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CC[C@H](C(=O)OC(C)(C)C)C3)c2)n1 ZINC000845477849 902216794 /nfs/dbraw/zinc/21/67/94/902216794.db2.gz SZADDXRMPIOBRD-CVEARBPZSA-N -1 3 398.459 3.821 20 0 GHADHM Cn1ccnc1[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(F)(F)F ZINC000577121984 902520233 /nfs/dbraw/zinc/52/02/33/902520233.db2.gz LGQPFAIKXPPNBK-SNVBAGLBSA-N -1 3 381.276 3.819 20 0 GHADHM COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc([O-])c(F)c2)CSC3)cc1 ZINC001144622788 902520507 /nfs/dbraw/zinc/52/05/07/902520507.db2.gz DUIMQYVRCJRDCV-UHFFFAOYSA-N -1 3 399.447 3.654 20 0 GHADHM Cc1ccnc(NC(=O)c2ccc(C)c(NC(=O)Cc3ccc([O-])c(F)c3)c2)c1 ZINC001144631258 902536562 /nfs/dbraw/zinc/53/65/62/902536562.db2.gz MEMLNQGIGSCMLV-UHFFFAOYSA-N -1 3 393.418 3.977 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](CC1CCOCC1)c1cccc(F)c1 ZINC001144633383 902540278 /nfs/dbraw/zinc/54/02/78/902540278.db2.gz SFLVTTBSKLEUFO-IBGZPJMESA-N -1 3 375.415 3.887 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc2ncc(Br)cc2c1 ZINC001144633101 902540532 /nfs/dbraw/zinc/54/05/32/902540532.db2.gz FCKXZXOFNCXZJR-UHFFFAOYSA-N -1 3 389.224 3.701 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144647582 902552732 /nfs/dbraw/zinc/55/27/32/902552732.db2.gz HOEFBWDHKWXKGZ-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144647621 902553029 /nfs/dbraw/zinc/55/30/29/902553029.db2.gz JDMNARIFVDPJIR-UHFFFAOYSA-N -1 3 382.451 3.940 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1F ZINC001144651180 902558189 /nfs/dbraw/zinc/55/81/89/902558189.db2.gz KKXXXFRBJLNLHA-CTNGQTDRSA-N -1 3 390.430 3.516 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C[C@@]1(F)Cl ZINC000845981923 902563088 /nfs/dbraw/zinc/56/30/88/902563088.db2.gz QEGLZYOKFABZAL-RYUDHWBXSA-N -1 3 388.661 3.571 20 0 GHADHM CC(C)CN1c2ccccc2[C@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)C1=O ZINC001144654475 902567295 /nfs/dbraw/zinc/56/72/95/902567295.db2.gz MKPVEPGDXJFLPX-JOCHJYFZSA-N -1 3 386.442 3.817 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1 ZINC000264351482 903038645 /nfs/dbraw/zinc/03/86/45/903038645.db2.gz ZPGGEYFUEGRHPR-UHFFFAOYSA-N -1 3 375.472 3.677 20 0 GHADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000846705330 903155410 /nfs/dbraw/zinc/15/54/10/903155410.db2.gz VWVCEPYMSJNNHO-DOTOQJQBSA-N -1 3 398.507 3.727 20 0 GHADHM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646582627 914693503 /nfs/dbraw/zinc/69/35/03/914693503.db2.gz FKUBPDYZNNURPP-UHFFFAOYSA-N -1 3 396.365 3.520 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(CO)c1 ZINC001186655479 914711576 /nfs/dbraw/zinc/71/15/76/914711576.db2.gz KLABRLZDNLLCCE-UHFFFAOYSA-N -1 3 399.468 3.567 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1N1CCCC1 ZINC001146186842 903466397 /nfs/dbraw/zinc/46/63/97/903466397.db2.gz RHHOELLLPFKMND-UHFFFAOYSA-N -1 3 383.398 3.967 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000887720646 903633215 /nfs/dbraw/zinc/63/32/15/903633215.db2.gz IQMJOSQMSXXERZ-UHFFFAOYSA-N -1 3 378.523 3.992 20 0 GHADHM CCCCN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001147695578 903855195 /nfs/dbraw/zinc/85/51/95/903855195.db2.gz CVYGUUBXORNHLY-GFCCVEGCSA-N -1 3 397.397 3.780 20 0 GHADHM CO[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc(Cl)cc1 ZINC001147978719 903926547 /nfs/dbraw/zinc/92/65/47/903926547.db2.gz YJEVNGMPAUSEMR-INIZCTEOSA-N -1 3 391.254 3.952 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)C1)C(F)(F)F ZINC000290655921 914774077 /nfs/dbraw/zinc/77/40/77/914774077.db2.gz KLNPBYHJSGZWLA-CYBMUJFWSA-N -1 3 383.414 3.877 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2ccc([O-])c(C(C)=O)c2)c1 ZINC001148663959 904164205 /nfs/dbraw/zinc/16/42/05/904164205.db2.gz FSJPYSXRXIHKCU-UHFFFAOYSA-N -1 3 375.808 3.606 20 0 GHADHM COc1cccc2c1CC[C@H](CCCNC(=O)c1ccc([O-])c(C(C)=O)c1)C2 ZINC001148671260 904165267 /nfs/dbraw/zinc/16/52/67/904165267.db2.gz RMADZWWVSAOXDO-INIZCTEOSA-N -1 3 381.472 3.919 20 0 GHADHM CC(=O)c1cc(C(=O)NCc2ccc(N(C)C(=O)OC(C)(C)C)cc2)ccc1[O-] ZINC001148669244 904165335 /nfs/dbraw/zinc/16/53/35/904165335.db2.gz SCCVIEVZHRCYEI-UHFFFAOYSA-N -1 3 398.459 3.896 20 0 GHADHM O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000646701527 914787634 /nfs/dbraw/zinc/78/76/34/914787634.db2.gz IOCUTWAGEZPLDC-XIKOKIGWSA-N -1 3 381.350 3.760 20 0 GHADHM O=C(NC[C@H](n1cccn1)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001148839162 904225409 /nfs/dbraw/zinc/22/54/09/904225409.db2.gz UPOLIDGBOKDEQZ-SFHVURJKSA-N -1 3 389.377 3.713 20 0 GHADHM COc1cc(CCCNC(=O)c2cc([O-])c3ccccc3c2)cc(OC)c1O ZINC001149000554 904264473 /nfs/dbraw/zinc/26/44/73/904264473.db2.gz BYRRLYDNGYPOLL-UHFFFAOYSA-N -1 3 381.428 3.631 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1[O-] ZINC000579175138 904394724 /nfs/dbraw/zinc/39/47/24/904394724.db2.gz PIBHAVNGYMGKLK-CQSZACIVSA-N -1 3 399.422 3.617 20 0 GHADHM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000290757275 914810309 /nfs/dbraw/zinc/81/03/09/914810309.db2.gz KAELMYDVXQHKJY-NSHDSACASA-N -1 3 380.901 3.527 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1nc(C2CCCCCC2)cs1 ZINC000889213726 904500072 /nfs/dbraw/zinc/50/00/72/904500072.db2.gz CMRJPCSHUWKUFX-UHFFFAOYSA-N -1 3 379.511 3.687 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000579640203 904760924 /nfs/dbraw/zinc/76/09/24/904760924.db2.gz PCXOAHCSLQGFFH-ZDUSSCGKSA-N -1 3 388.917 3.796 20 0 GHADHM CCOC(=O)c1nc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)oc1C ZINC000890014639 904873695 /nfs/dbraw/zinc/87/36/95/904873695.db2.gz XLOFFLQKNIPVDE-UHFFFAOYSA-N -1 3 383.735 3.541 20 0 GHADHM COc1ccc2[nH]c(C(=O)N[N-]C(=O)c3ccc(Cl)cc3Cl)cc2c1 ZINC000188946642 905011538 /nfs/dbraw/zinc/01/15/38/905011538.db2.gz CIGATVURQJKNDG-UHFFFAOYSA-N -1 3 378.215 3.558 20 0 GHADHM O=C(c1ccccc1Cl)C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000890480807 905072832 /nfs/dbraw/zinc/07/28/32/905072832.db2.gz QAPUSVTUBZTRFV-UHFFFAOYSA-N -1 3 387.819 3.509 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@@H](C)Cc3ccccc3C)c(=O)c2c(OC)c1 ZINC000626678107 905222958 /nfs/dbraw/zinc/22/29/58/905222958.db2.gz IJWDKFDOORNQTG-HNNXBMFYSA-N -1 3 394.471 3.557 20 0 GHADHM Cc1cc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)cc(C)c1Br ZINC001212652748 905482819 /nfs/dbraw/zinc/48/28/19/905482819.db2.gz FTMITSGXDCDIMX-UHFFFAOYSA-N -1 3 388.147 3.920 20 0 GHADHM Cc1cc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)cc(C)c1Br ZINC001212652748 905482827 /nfs/dbraw/zinc/48/28/27/905482827.db2.gz FTMITSGXDCDIMX-UHFFFAOYSA-N -1 3 388.147 3.920 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CC2 ZINC000901502080 921177024 /nfs/dbraw/zinc/17/70/24/921177024.db2.gz XSVYVQHJNIHSCT-KRWDZBQOSA-N -1 3 393.409 3.637 20 0 GHADHM [O-]c1cncc(-c2nc(-c3cccc(-c4nc(-c5cccnc5)no4)c3)no2)c1 ZINC001212708871 906238068 /nfs/dbraw/zinc/23/80/68/906238068.db2.gz TUCOUSBEZNWAQO-UHFFFAOYSA-N -1 3 384.355 3.616 20 0 GHADHM CC(C)n1cccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000179426859 906501112 /nfs/dbraw/zinc/50/11/12/906501112.db2.gz MLJLVPBFGYVYBZ-UHFFFAOYSA-N -1 3 389.883 3.919 20 0 GHADHM O=c1[n-]nc(S[C@H]2CCO[C@@H](c3ccncc3)C2)n1CCc1ccccc1 ZINC000629101697 906509316 /nfs/dbraw/zinc/50/93/16/906509316.db2.gz YGOLMHWOBPCQQW-ZWKOTPCHSA-N -1 3 382.489 3.634 20 0 GHADHM O=c1[n-]nc(S[C@@H]2CCO[C@@H](c3ccncc3)C2)n1CCc1ccccc1 ZINC000629101695 906509624 /nfs/dbraw/zinc/50/96/24/906509624.db2.gz YGOLMHWOBPCQQW-QZTJIDSGSA-N -1 3 382.489 3.634 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000179609360 906540704 /nfs/dbraw/zinc/54/07/04/906540704.db2.gz XGVWKTQKXXRZFL-AWEZNQCLSA-N -1 3 393.285 3.541 20 0 GHADHM CCO[C@H](CS(=O)(=O)[N-]c1ccccc1COCc1ccccc1)C1CC1 ZINC000629286889 906675069 /nfs/dbraw/zinc/67/50/69/906675069.db2.gz IWJRNAOWDNETRS-OAQYLSRUSA-N -1 3 389.517 3.960 20 0 GHADHM CCOC1(CS(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)CCOCC1 ZINC000629288161 906675256 /nfs/dbraw/zinc/67/52/56/906675256.db2.gz CHCXOOGIGAVMNY-UHFFFAOYSA-N -1 3 382.309 3.629 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2cccc(Br)c2C(F)(F)F)no1 ZINC001212754856 906678046 /nfs/dbraw/zinc/67/80/46/906678046.db2.gz RLTYNLVJOHYROB-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000629294697 906685674 /nfs/dbraw/zinc/68/56/74/906685674.db2.gz GSBIQVRGCBIGPI-QGZVFWFLSA-N -1 3 387.423 3.937 20 0 GHADHM Cc1ccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])cc1F ZINC001174020449 906790860 /nfs/dbraw/zinc/79/08/60/906790860.db2.gz NXWDSROPONLASR-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM CC(=O)N(c1nc(C[N-]c2nnc([C@H]3CCCO3)o2)cs1)c1ccc(C)cc1 ZINC000181800813 907082830 /nfs/dbraw/zinc/08/28/30/907082830.db2.gz BAWFWLXAFCIQFL-MRXNPFEDSA-N -1 3 399.476 3.983 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191581665 907091615 /nfs/dbraw/zinc/09/16/15/907091615.db2.gz CVFCEHFVDQBQAC-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191581665 907091628 /nfs/dbraw/zinc/09/16/28/907091628.db2.gz CVFCEHFVDQBQAC-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM CCOC(=O)C1CCN(Cc2cccc(Nc3ccc(C(=O)[O-])s3)c2)CC1 ZINC001174806984 907240533 /nfs/dbraw/zinc/24/05/33/907240533.db2.gz FWUMSFAXMWNYRG-UHFFFAOYSA-N -1 3 388.489 3.965 20 0 GHADHM O=C([O-])c1nnn(C2CCN(C/C=C\c3ccc(Cl)cc3)CC2)c1C(F)F ZINC000630386129 907262120 /nfs/dbraw/zinc/26/21/20/907262120.db2.gz WKUPIJITKMXKNJ-UPHRSURJSA-N -1 3 396.825 3.918 20 0 GHADHM Cc1cccc2c1CCN2C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001174903755 907279063 /nfs/dbraw/zinc/27/90/63/907279063.db2.gz FNKXJBUDWFVPNH-UHFFFAOYSA-N -1 3 388.345 3.938 20 0 GHADHM COc1cc(C[NH2+]C[C@@H](CC(=O)[O-])C2CCCC2)cc(Br)c1[O-] ZINC000630469490 907298253 /nfs/dbraw/zinc/29/82/53/907298253.db2.gz AHIYXXZCBMZZFA-CYBMUJFWSA-N -1 3 386.286 3.534 20 0 GHADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(I)c1 ZINC001175429015 907548948 /nfs/dbraw/zinc/54/89/48/907548948.db2.gz FNBSADGLZOBEHS-UHFFFAOYSA-N -1 3 377.189 3.523 20 0 GHADHM CCc1cc2c(CN3CC[C@@H](C(F)(F)F)O[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC001175870405 907808561 /nfs/dbraw/zinc/80/85/61/907808561.db2.gz GOMCPVRUCNRCEO-DIFFPNOSSA-N -1 3 385.382 3.603 20 0 GHADHM O=C(Cc1cccc(C(F)(F)F)n1)Nc1cc(Br)ccc1[O-] ZINC001176004384 907873584 /nfs/dbraw/zinc/87/35/84/907873584.db2.gz ZBIYEKFHFQBEAN-UHFFFAOYSA-N -1 3 375.144 3.750 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cncc(C4CC4)c3)c2)ccc1O ZINC001176286180 908014675 /nfs/dbraw/zinc/01/46/75/908014675.db2.gz WFUAPEDDUJRNBI-UHFFFAOYSA-N -1 3 397.456 3.529 20 0 GHADHM CCc1ccc(C(=O)N2CCC(CC)(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001176340054 908041543 /nfs/dbraw/zinc/04/15/43/908041543.db2.gz FMYWJBRMCJXQGN-UHFFFAOYSA-N -1 3 376.497 3.864 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3ccccc3Cl)c2)ccc1O ZINC001176552567 908174269 /nfs/dbraw/zinc/17/42/69/908174269.db2.gz DNEHQYLMVVXSJS-UHFFFAOYSA-N -1 3 390.848 3.910 20 0 GHADHM COC(=O)c1cc(Br)c([O-])c(Nc2c(F)cc(F)c(O)c2F)c1 ZINC001176672533 908202068 /nfs/dbraw/zinc/20/20/68/908202068.db2.gz ZULVVTHELBIBNF-UHFFFAOYSA-N -1 3 392.127 3.808 20 0 GHADHM CC(C)(CCS(=O)(=O)[N-]c1ccccc1NC(=O)N1CCCC1)C1CC1 ZINC000901602709 921390147 /nfs/dbraw/zinc/39/01/47/921390147.db2.gz UDUPLDSYECHWKJ-UHFFFAOYSA-N -1 3 379.526 3.882 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)n1 ZINC001177875464 908770388 /nfs/dbraw/zinc/77/03/88/908770388.db2.gz PAYBBOXDCXOLGA-HXUWFJFHSA-N -1 3 394.519 3.937 20 0 GHADHM O=C(Cc1ccc(-c2ccccn2)cc1)Nc1ncc([O-])cc1Br ZINC001177945754 908832348 /nfs/dbraw/zinc/83/23/48/908832348.db2.gz VYSOSWKDJXERLY-UHFFFAOYSA-N -1 3 384.233 3.793 20 0 GHADHM Cc1ccc(-n2cc(CN(CCC(=O)[O-])C[C@H]3CCCO3)c(C(C)(C)C)n2)cc1 ZINC000901675953 921459878 /nfs/dbraw/zinc/45/98/78/921459878.db2.gz ASBAYQORDAUULU-HXUWFJFHSA-N -1 3 399.535 3.934 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c([O-])c1 ZINC001178806810 909236884 /nfs/dbraw/zinc/23/68/84/909236884.db2.gz QNEVVMHRKRTLQG-SFHVURJKSA-N -1 3 382.416 3.804 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(Br)s1 ZINC000636319182 909536136 /nfs/dbraw/zinc/53/61/36/909536136.db2.gz LNDKOCSFQIVYQM-UHFFFAOYSA-N -1 3 382.283 3.512 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1csc(-c2ccc(F)cc2)n1 ZINC000636318567 909537354 /nfs/dbraw/zinc/53/73/54/909537354.db2.gz YVLSXOKQCBPBGZ-UHFFFAOYSA-N -1 3 384.436 3.642 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1NCc1ccccc1 ZINC000636320819 909541335 /nfs/dbraw/zinc/54/13/35/909541335.db2.gz UEAYOTHPHGQSEM-UHFFFAOYSA-N -1 3 388.471 3.992 20 0 GHADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321927 909543231 /nfs/dbraw/zinc/54/32/31/909543231.db2.gz YFCPYLNIFXIREH-NSHDSACASA-N -1 3 395.381 3.552 20 0 GHADHM C[C@H](Oc1cccc2ccccc21)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321424 909543873 /nfs/dbraw/zinc/54/38/73/909543873.db2.gz SGKIZTACAWEIBK-AWEZNQCLSA-N -1 3 377.444 3.687 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cs1 ZINC000267638746 909571546 /nfs/dbraw/zinc/57/15/46/909571546.db2.gz QGGWJLOORQEWNA-QMMMGPOBSA-N -1 3 381.306 3.636 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)[C@H](C)c3ccc([S@@](C)=O)cc3)cc(=O)oc12 ZINC000245464520 909660835 /nfs/dbraw/zinc/66/08/35/909660835.db2.gz HYVNUBHLUNMBOR-LOKFHWFJSA-N -1 3 385.485 3.737 20 0 GHADHM CC[C@@H](c1ccccc1)N1CCN(Cc2ncc(Br)cc2[O-])CC1 ZINC001179878349 909798965 /nfs/dbraw/zinc/79/89/65/909798965.db2.gz OUCWYJQJSHYOMX-SFHVURJKSA-N -1 3 390.325 3.819 20 0 GHADHM CCOCCOCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000901741914 921526797 /nfs/dbraw/zinc/52/67/97/921526797.db2.gz YMZRSHOWPSSLRF-UHFFFAOYSA-N -1 3 380.491 3.943 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c([O-])c1 ZINC001180184574 909981236 /nfs/dbraw/zinc/98/12/36/909981236.db2.gz PNUFHXPBKHHOHE-QGZVFWFLSA-N -1 3 383.400 3.588 20 0 GHADHM C[C@H](O)c1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)ccc1F ZINC000795387051 910148721 /nfs/dbraw/zinc/14/87/21/910148721.db2.gz JWMQJJOEWFAMSP-ZJUUUORDSA-N -1 3 385.844 3.657 20 0 GHADHM Cc1cc(C)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(Br)c1 ZINC000269449077 910271760 /nfs/dbraw/zinc/27/17/60/910271760.db2.gz KSTXIXASYHIFRY-UHFFFAOYSA-N -1 3 378.270 3.750 20 0 GHADHM O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001180916469 910426742 /nfs/dbraw/zinc/42/67/42/910426742.db2.gz QACJFDKYOUQQEA-UHFFFAOYSA-N -1 3 377.322 3.631 20 0 GHADHM CC1CCN([C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000901796762 921575109 /nfs/dbraw/zinc/57/51/09/921575109.db2.gz SSOSQMONOYSSJU-YERXGYGTSA-N -1 3 388.489 3.642 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(OC(F)F)c3cccnc23)c2ccccc21 ZINC000773905746 910618928 /nfs/dbraw/zinc/61/89/28/910618928.db2.gz MSKBDEXPEAEHHN-UVTDQMKNSA-N -1 3 381.338 3.559 20 0 GHADHM Cc1ccc(CC[C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640295203 910956766 /nfs/dbraw/zinc/95/67/66/910956766.db2.gz QUEDNGUDBXCOAJ-SECBINFHSA-N -1 3 378.782 3.565 20 0 GHADHM CC[C@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)CC(F)(F)F ZINC000640299909 910958314 /nfs/dbraw/zinc/95/83/14/910958314.db2.gz XBEBJWLZUATOFI-ZETCQYMHSA-N -1 3 380.720 3.621 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@@H](C2CCCCC2)C1 ZINC000640303198 910960199 /nfs/dbraw/zinc/96/01/99/910960199.db2.gz QNQWDDJNFQRSTI-GFCCVEGCSA-N -1 3 378.826 3.955 20 0 GHADHM CC(C)(CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)CC(F)(F)F ZINC000640303972 910961760 /nfs/dbraw/zinc/96/17/60/910961760.db2.gz XBZBNSZWBHMLQI-UHFFFAOYSA-N -1 3 380.720 3.621 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCc2sc(Cl)cc2C1 ZINC000640303553 910962262 /nfs/dbraw/zinc/96/22/62/910962262.db2.gz UJCJDNCXINKLOU-UHFFFAOYSA-N -1 3 399.225 3.826 20 0 GHADHM Cc1cccc(C)c1[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640314251 910965299 /nfs/dbraw/zinc/96/52/99/910965299.db2.gz CMYZWKLZVCPJON-CQSZACIVSA-N -1 3 377.286 3.590 20 0 GHADHM C[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Sc1ccc(Cl)cc1 ZINC001181771790 910973347 /nfs/dbraw/zinc/97/33/47/910973347.db2.gz SZBUFSOOJRCLGG-LBPRGKRZSA-N -1 3 387.896 3.707 20 0 GHADHM C[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Sc1ccc(Cl)cc1 ZINC001181771790 910973361 /nfs/dbraw/zinc/97/33/61/910973361.db2.gz SZBUFSOOJRCLGG-LBPRGKRZSA-N -1 3 387.896 3.707 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(Cl)cc1 ZINC001181874672 911054868 /nfs/dbraw/zinc/05/48/68/911054868.db2.gz ZIPHEEWNSYOARK-INIZCTEOSA-N -1 3 394.899 3.705 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(Cl)cc1 ZINC001181874672 911054887 /nfs/dbraw/zinc/05/48/87/911054887.db2.gz ZIPHEEWNSYOARK-INIZCTEOSA-N -1 3 394.899 3.705 20 0 GHADHM COC(C)(C)c1cn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nn1 ZINC000640793672 911189555 /nfs/dbraw/zinc/18/95/55/911189555.db2.gz AOZQYFLUROQGCO-UHFFFAOYSA-N -1 3 381.461 3.585 20 0 GHADHM CCn1cc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)c(-c2ccccc2)n1 ZINC000901870663 921665896 /nfs/dbraw/zinc/66/58/96/921665896.db2.gz FAKJLXVKMOQPCD-UHFFFAOYSA-N -1 3 393.491 3.610 20 0 GHADHM CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2[O-])c(C)n1 ZINC000642323459 911982480 /nfs/dbraw/zinc/98/24/80/911982480.db2.gz AAXDAWQLQGDOPL-UHFFFAOYSA-N -1 3 396.310 3.855 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)ccnc1Br ZINC000284693202 911990521 /nfs/dbraw/zinc/99/05/21/911990521.db2.gz GZQUMXZPXIZXPX-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM COc1cc(OC)c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000901894665 921708411 /nfs/dbraw/zinc/70/84/11/921708411.db2.gz XIEZPNUJGLKJAF-CVEARBPZSA-N -1 3 393.842 3.797 20 0 GHADHM C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NCc1ncccc1[O-] ZINC001182924765 912109974 /nfs/dbraw/zinc/10/99/74/912109974.db2.gz OMXOVYFUJVTVQQ-MRVPVSSYSA-N -1 3 375.639 3.831 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001187007886 914938849 /nfs/dbraw/zinc/93/88/49/914938849.db2.gz IVQGSZTVZOWTAJ-UHFFFAOYSA-N -1 3 383.455 3.819 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001187007886 914938860 /nfs/dbraw/zinc/93/88/60/914938860.db2.gz IVQGSZTVZOWTAJ-UHFFFAOYSA-N -1 3 383.455 3.819 20 0 GHADHM CCc1cnn2cc([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)cnc12 ZINC001187044162 914978663 /nfs/dbraw/zinc/97/86/63/914978663.db2.gz UZYZSQDMTUQTTC-UHFFFAOYSA-N -1 3 385.276 3.540 20 0 GHADHM CCCCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC001187092549 915028686 /nfs/dbraw/zinc/02/86/86/915028686.db2.gz PONWFOFLPVXSKO-AWEZNQCLSA-N -1 3 382.309 3.535 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1-c1ccccc1)C1CCOCC1 ZINC000647122523 915037652 /nfs/dbraw/zinc/03/76/52/915037652.db2.gz KHYILWUQPWLSGH-FQEVSTJZSA-N -1 3 375.490 3.537 20 0 GHADHM O=C([O-])[C@H](C[C@@H]1CCCOC1)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901932369 921742960 /nfs/dbraw/zinc/74/29/60/921742960.db2.gz ZSZCQBIZJHJUDP-LRDDRELGSA-N -1 3 380.897 3.823 20 0 GHADHM O=S(=O)([N-]Cc1ncccc1C(F)(F)F)c1cc2c(s1)CCCC2 ZINC001187218217 915127300 /nfs/dbraw/zinc/12/73/00/915127300.db2.gz JJYRDZCEDJTVAK-UHFFFAOYSA-N -1 3 376.425 3.519 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2Cl)c(F)c1F ZINC001187250199 915160701 /nfs/dbraw/zinc/16/07/01/915160701.db2.gz XZNWNHPOULIGBO-LBPRGKRZSA-N -1 3 396.242 3.592 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC001187425698 915241087 /nfs/dbraw/zinc/24/10/87/915241087.db2.gz WTMMILAZJMQCNS-INIZCTEOSA-N -1 3 392.279 3.940 20 0 GHADHM Cc1ncn(-c2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)c1C ZINC000292041183 915488750 /nfs/dbraw/zinc/48/87/50/915488750.db2.gz AMLIETQNVLUIDC-UHFFFAOYSA-N -1 3 379.464 3.843 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901965565 921775377 /nfs/dbraw/zinc/77/53/77/921775377.db2.gz MWDMGRZUEARRGJ-ROUUACIJSA-N -1 3 395.425 3.552 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccccc1SC[C@H](O)C(F)(F)F ZINC001187800397 915520018 /nfs/dbraw/zinc/52/00/18/915520018.db2.gz QICHQTPGFYONRO-AWEZNQCLSA-N -1 3 375.343 3.799 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC001187801443 915521881 /nfs/dbraw/zinc/52/18/81/915521881.db2.gz SBDHBJVIWOYWLA-NXEZZACHSA-N -1 3 387.370 3.620 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2cnncc2Cl)cc1 ZINC001187808423 915526336 /nfs/dbraw/zinc/52/63/36/915526336.db2.gz HBLAZSYZJNVYEH-UHFFFAOYSA-N -1 3 391.836 3.732 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000648432037 915699141 /nfs/dbraw/zinc/69/91/41/915699141.db2.gz NGMZDEHJIPNWKU-YUMQZZPRSA-N -1 3 397.706 3.680 20 0 GHADHM CCc1cc2c(CSc3nnc(-c4ccncc4)o3)cc(=O)oc2cc1[O-] ZINC000097601496 915723963 /nfs/dbraw/zinc/72/39/63/915723963.db2.gz YVKBBQFASRLSCM-UHFFFAOYSA-N -1 3 381.413 3.798 20 0 GHADHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001188097156 915754742 /nfs/dbraw/zinc/75/47/42/915754742.db2.gz CGDIZXGYUHIAPC-UHFFFAOYSA-N -1 3 389.304 3.697 20 0 GHADHM O=C(NCC1CCC(F)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000649149551 916041392 /nfs/dbraw/zinc/04/13/92/916041392.db2.gz RAQFGRLKTOLRPK-UHFFFAOYSA-N -1 3 381.245 3.549 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000649171213 916050958 /nfs/dbraw/zinc/05/09/58/916050958.db2.gz OFDHEKKFHKCNIU-HRCADAONSA-N -1 3 388.464 3.545 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001188659018 916083046 /nfs/dbraw/zinc/08/30/46/916083046.db2.gz GNUABMBPEDRXNV-NRFANRHFSA-N -1 3 395.480 3.624 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)CC3 ZINC001188663573 916085789 /nfs/dbraw/zinc/08/57/89/916085789.db2.gz KHWDAINTYVAMMC-CYBMUJFWSA-N -1 3 389.908 3.669 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cccc2ccncc21 ZINC001188681962 916105990 /nfs/dbraw/zinc/10/59/90/916105990.db2.gz WNSWQVYQJIJCJY-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN(Cc4cccc(F)c4)CC3)c2c1 ZINC000649384769 916132385 /nfs/dbraw/zinc/13/23/85/916132385.db2.gz HUYDDQTVCUKJCK-UHFFFAOYSA-N -1 3 379.435 3.703 20 0 GHADHM CC(=O)Nc1sc(C)c(C)c1C(=O)[N-]c1nonc1-c1nc2ccccc2[nH]1 ZINC001188976548 916294084 /nfs/dbraw/zinc/29/40/84/916294084.db2.gz UMSHHYPUDJWVTG-UHFFFAOYSA-N -1 3 396.432 3.502 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@@H]2C)cc1F ZINC001188995664 916330687 /nfs/dbraw/zinc/33/06/87/916330687.db2.gz WKGMRUCFOUVJNK-BUXKBTBVSA-N -1 3 381.444 3.965 20 0 GHADHM C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000293731085 916353000 /nfs/dbraw/zinc/35/30/00/916353000.db2.gz UMFHRAFZHMQKGS-CQSZACIVSA-N -1 3 387.480 3.754 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1nc(F)c(F)c(Cl)c1F ZINC001189075536 916390636 /nfs/dbraw/zinc/39/06/36/916390636.db2.gz XXSDCDJPJAUBEV-UHFFFAOYSA-N -1 3 385.194 3.790 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1cnc(Cl)c(Cl)c1 ZINC001189211507 916465021 /nfs/dbraw/zinc/46/50/21/916465021.db2.gz PXWKEGDUUMRALS-LLVKDONJSA-N -1 3 379.309 3.549 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001189245799 916492764 /nfs/dbraw/zinc/49/27/64/916492764.db2.gz INFBOHLYEFLEAF-UHFFFAOYSA-N -1 3 383.313 3.910 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cc(F)cc(Br)c1 ZINC001189310237 916541297 /nfs/dbraw/zinc/54/12/97/916541297.db2.gz KKKBPHRAZXEFJR-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C(C)C)C(C)C ZINC001189393006 916634878 /nfs/dbraw/zinc/63/48/78/916634878.db2.gz OKOYGJMLEAGXLQ-UHFFFAOYSA-N -1 3 396.322 3.803 20 0 GHADHM O=C([N-][C@H](c1nccs1)C(F)(F)F)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000650057602 916685496 /nfs/dbraw/zinc/68/54/96/916685496.db2.gz WIMHKJBUUGVAGR-XHNCKOQMSA-N -1 3 376.322 3.610 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(F)cccc2C(F)(F)F)c1 ZINC001189625981 916786367 /nfs/dbraw/zinc/78/63/67/916786367.db2.gz IFLHXNDXHVHVBI-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000294409571 916791277 /nfs/dbraw/zinc/79/12/77/916791277.db2.gz QZBCOOXJJSRQEB-UHFFFAOYSA-N -1 3 380.419 3.601 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(OC)c2)c(C)c1 ZINC000650217578 916808740 /nfs/dbraw/zinc/80/87/40/916808740.db2.gz MQERIIOLGZNECW-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000294475536 916821951 /nfs/dbraw/zinc/82/19/51/916821951.db2.gz ISNHEVMKPRNRPJ-ICSRJNTNSA-N -1 3 394.519 3.818 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc3c(cc1[O-])OCO3)CC2 ZINC000775297385 916867082 /nfs/dbraw/zinc/86/70/82/916867082.db2.gz NXUGMGBBVQYZBD-UHFFFAOYSA-N -1 3 398.415 3.671 20 0 GHADHM Cc1nc(Cl)c(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c(Cl)n1 ZINC001189748017 916871127 /nfs/dbraw/zinc/87/11/27/916871127.db2.gz CVCLNMUXUKHMGW-UHFFFAOYSA-N -1 3 382.125 3.948 20 0 GHADHM COc1cccnc1[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001189774855 916910447 /nfs/dbraw/zinc/91/04/47/916910447.db2.gz GPBLNNPKFIIRNQ-AWEZNQCLSA-N -1 3 382.338 3.576 20 0 GHADHM O=C(c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1)N1CCCCC1 ZINC001189823750 916946882 /nfs/dbraw/zinc/94/68/82/916946882.db2.gz NLAQZUBKNZMJSP-UHFFFAOYSA-N -1 3 394.443 3.533 20 0 GHADHM CC[C@@H]1CN(CCCCC(=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000294740752 916957662 /nfs/dbraw/zinc/95/76/62/916957662.db2.gz JUDLVYALFPJTAS-RBUKOAKNSA-N -1 3 376.497 3.753 20 0 GHADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(OCC(C)C)cc2)c1C ZINC001190016469 917034838 /nfs/dbraw/zinc/03/48/38/917034838.db2.gz NZOQRSPMOJLRPU-UHFFFAOYSA-N -1 3 395.477 3.611 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000650504678 917042104 /nfs/dbraw/zinc/04/21/04/917042104.db2.gz XWZRFSYWPPRGHB-FQEVSTJZSA-N -1 3 390.499 3.816 20 0 GHADHM O=C([N-]n1cnc2ccccc2c1=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000295007363 917089173 /nfs/dbraw/zinc/08/91/73/917089173.db2.gz ZAXWRWQBIZRRPN-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC001190205277 917197015 /nfs/dbraw/zinc/19/70/15/917197015.db2.gz OBVHBVAWRCRCEO-ZDUSSCGKSA-N -1 3 380.338 3.808 20 0 GHADHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000362325454 917211270 /nfs/dbraw/zinc/21/12/70/917211270.db2.gz ICKOGWWUPPNYRH-BSIFCXSSSA-N -1 3 383.444 3.593 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]Cc1ccc(C2CCCCC2)cc1 ZINC001190610852 917447586 /nfs/dbraw/zinc/44/75/86/917447586.db2.gz BVUCCAPNOPOZDM-UHFFFAOYSA-N -1 3 384.505 3.564 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccc(=O)[n-]c1Cl)C(=O)Nc1ccc2ccccc2c1 ZINC001190925729 917641634 /nfs/dbraw/zinc/64/16/34/917641634.db2.gz FENPKVXAWLBZNQ-SFHVURJKSA-N -1 3 397.862 3.987 20 0 GHADHM O=C(N[C@@H]1CCOc2ccc(OC(F)(F)F)cc21)c1ccc(=O)[n-]c1Cl ZINC001190926817 917643387 /nfs/dbraw/zinc/64/33/87/917643387.db2.gz RWYXIPXQRWSOSN-LLVKDONJSA-N -1 3 388.729 3.593 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(-c2ccccc2)s1 ZINC001190984973 917686595 /nfs/dbraw/zinc/68/65/95/917686595.db2.gz VIGXQUHFYYQEHL-HNNXBMFYSA-N -1 3 386.498 3.573 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)c(F)c2F)cc1 ZINC001191252470 917848455 /nfs/dbraw/zinc/84/84/55/917848455.db2.gz BOVWRVMOOUAMMX-UHFFFAOYSA-N -1 3 383.416 3.895 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000652435509 917898867 /nfs/dbraw/zinc/89/88/67/917898867.db2.gz NSTOJXSBGXOTID-UHFFFAOYSA-N -1 3 386.517 3.979 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c1Br ZINC001309691203 917909029 /nfs/dbraw/zinc/90/90/29/917909029.db2.gz ABFGWKPWKRYJIJ-NSHDSACASA-N -1 3 388.299 3.841 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1O ZINC001191369752 917970929 /nfs/dbraw/zinc/97/09/29/917970929.db2.gz ATJYOQKKXPBFNX-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM COC(=O)c1sc2c(c1[N-]C(=O)c1nc(C)oc1Br)CCCC2 ZINC001191621679 918081483 /nfs/dbraw/zinc/08/14/83/918081483.db2.gz HUXXQCKHDNMHPA-UHFFFAOYSA-N -1 3 399.266 3.725 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc2cccnc21 ZINC001191905013 918295103 /nfs/dbraw/zinc/29/51/03/918295103.db2.gz HNPUCLUCXPNRDH-UHFFFAOYSA-N -1 3 380.828 3.978 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c(F)c1 ZINC001191965997 918340388 /nfs/dbraw/zinc/34/03/88/918340388.db2.gz DAEDSVZXLSMYTG-UHFFFAOYSA-N -1 3 389.404 3.575 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1F ZINC001191969498 918343373 /nfs/dbraw/zinc/34/33/73/918343373.db2.gz MXDFILHIJZPBIY-UHFFFAOYSA-N -1 3 389.404 3.575 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C3CC3)[C@@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000653945670 918612006 /nfs/dbraw/zinc/61/20/06/918612006.db2.gz HGVFMXWVZWENQM-AZUAARDMSA-N -1 3 382.464 3.627 20 0 GHADHM COc1ccccc1OCc1ccc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)o1 ZINC000117427301 919541602 /nfs/dbraw/zinc/54/16/02/919541602.db2.gz WURGVKUTDYLEFE-UHFFFAOYSA-N -1 3 396.428 3.966 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1cc(Cl)ccc1Cl ZINC000800258249 919794879 /nfs/dbraw/zinc/79/48/79/919794879.db2.gz SSANEZPIIHTMQN-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1cc(Cl)ccc1Cl ZINC000800258249 919794895 /nfs/dbraw/zinc/79/48/95/919794895.db2.gz SSANEZPIIHTMQN-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1cc(Cl)ccc1Cl ZINC000800258249 919794910 /nfs/dbraw/zinc/79/49/10/919794910.db2.gz SSANEZPIIHTMQN-ZETCQYMHSA-N -1 3 397.193 3.588 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2[n-]nnc21)N(c1ccccc1)C1CCCCC1 ZINC000800262870 919803280 /nfs/dbraw/zinc/80/32/80/919803280.db2.gz UPULFEHXSUFQHP-UHFFFAOYSA-N -1 3 396.422 3.620 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2nn[n-]c21)N(c1ccccc1)C1CCCCC1 ZINC000800262870 919803296 /nfs/dbraw/zinc/80/32/96/919803296.db2.gz UPULFEHXSUFQHP-UHFFFAOYSA-N -1 3 396.422 3.620 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2n[n-]nc21)N(c1ccccc1)C1CCCCC1 ZINC000800262870 919803306 /nfs/dbraw/zinc/80/33/06/919803306.db2.gz UPULFEHXSUFQHP-UHFFFAOYSA-N -1 3 396.422 3.620 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800262456 919803735 /nfs/dbraw/zinc/80/37/35/919803735.db2.gz KXOGOTWECXAVKE-UHFFFAOYSA-N -1 3 386.383 3.801 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800262456 919803742 /nfs/dbraw/zinc/80/37/42/919803742.db2.gz KXOGOTWECXAVKE-UHFFFAOYSA-N -1 3 386.383 3.801 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800262456 919803746 /nfs/dbraw/zinc/80/37/46/919803746.db2.gz KXOGOTWECXAVKE-UHFFFAOYSA-N -1 3 386.383 3.801 20 0 GHADHM O=C([O-])C1CC2(C1)C[C@@H](NCc1c(F)cccc1OC(F)(F)F)CCS2 ZINC000900079645 919814819 /nfs/dbraw/zinc/81/48/19/919814819.db2.gz UVMJNKCMIFVVLO-CSJGVYOVSA-N -1 3 393.402 3.943 20 0 GHADHM Cc1nn(-c2ccccn2)c(Cl)c1CNCCCCC1(C(=O)[O-])CCC1 ZINC000900080788 919817606 /nfs/dbraw/zinc/81/76/06/919817606.db2.gz MGAIKUVKOQDUOM-UHFFFAOYSA-N -1 3 376.888 3.744 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCOCC1 ZINC000800936329 920625348 /nfs/dbraw/zinc/62/53/48/920625348.db2.gz KOBNAMPHPLKUJC-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000365461983 920820748 /nfs/dbraw/zinc/82/07/48/920820748.db2.gz PPBBZBJKFVOZMG-LJQANCHMSA-N -1 3 375.472 3.736 20 0 GHADHM C[C@@H](CNCc1cccc(C(=O)[O-])n1)Sc1ccc(Br)cc1 ZINC000902246734 922028044 /nfs/dbraw/zinc/02/80/44/922028044.db2.gz NMIUCWCOKXLSQK-NSHDSACASA-N -1 3 381.295 3.813 20 0 GHADHM CCc1oc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1C(=O)[O-] ZINC000902254916 922033839 /nfs/dbraw/zinc/03/38/39/922033839.db2.gz IFCAACCDLCBYAA-ZDUSSCGKSA-N -1 3 382.382 3.928 20 0 GHADHM O=C([O-])c1ccc(CNCc2cccc3c2CCOC3)cc1Br ZINC000902446780 922200632 /nfs/dbraw/zinc/20/06/32/922200632.db2.gz WWVLWHBQUPKPFF-UHFFFAOYSA-N -1 3 376.250 3.510 20 0 GHADHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000367567529 922206572 /nfs/dbraw/zinc/20/65/72/922206572.db2.gz WQXAYLODOPSTDW-LQDVMPOASA-N -1 3 399.878 3.796 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1occ2c1CCOC2 ZINC000367735723 922287436 /nfs/dbraw/zinc/28/74/36/922287436.db2.gz CAXBCHJALQMOJT-UHFFFAOYSA-N -1 3 379.800 3.916 20 0 GHADHM CN(C)Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1C(F)(F)F ZINC000902756536 922469776 /nfs/dbraw/zinc/46/97/76/922469776.db2.gz IMVYGGBYKQXPOU-UHFFFAOYSA-N -1 3 380.366 3.646 20 0 GHADHM O=C([N-]CC1(C2(O)CCC2)CC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000903000514 922700403 /nfs/dbraw/zinc/70/04/03/922700403.db2.gz HGEZATPPUJHOOE-UHFFFAOYSA-N -1 3 398.759 3.657 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)s1 ZINC000903685966 923201657 /nfs/dbraw/zinc/20/16/57/923201657.db2.gz ANPWWPHKZJCYET-MRXNPFEDSA-N -1 3 388.489 3.585 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903943493 923421344 /nfs/dbraw/zinc/42/13/44/923421344.db2.gz ATUIKTIFQMMYFU-SMDDNHRTSA-N -1 3 385.773 3.764 20 0 GHADHM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000748480288 923665686 /nfs/dbraw/zinc/66/56/86/923665686.db2.gz XWLOHYAYVNPHPV-LLVKDONJSA-N -1 3 397.830 3.850 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c(F)cc1F ZINC000748641283 923768248 /nfs/dbraw/zinc/76/82/48/923768248.db2.gz IDHIIZZMZMZXOW-UHFFFAOYSA-N -1 3 391.399 3.581 20 0 GHADHM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000748640560 923768828 /nfs/dbraw/zinc/76/88/28/923768828.db2.gz SOVFZIDIIYELBA-UHFFFAOYSA-N -1 3 399.447 3.610 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(Cl)ccc2N2CCSCC2)c2ccccc21 ZINC000748689131 923785352 /nfs/dbraw/zinc/78/53/52/923785352.db2.gz HQPUKEGBQNIJRJ-VBKFSLOCSA-N -1 3 399.903 3.616 20 0 GHADHM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2C1 ZINC000370273138 924000058 /nfs/dbraw/zinc/00/00/58/924000058.db2.gz QVMVOKFNGXRBOK-UHFFFAOYSA-N -1 3 386.517 3.892 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c(C)c1 ZINC000749162155 924056304 /nfs/dbraw/zinc/05/63/04/924056304.db2.gz JKYWZRAWTDYKSL-UHFFFAOYSA-N -1 3 376.869 3.647 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc2)cc1 ZINC000677289014 924314708 /nfs/dbraw/zinc/31/47/08/924314708.db2.gz FLTHFGLVKDOJNG-QFIPXVFZSA-N -1 3 390.439 3.879 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000677585486 924407056 /nfs/dbraw/zinc/40/70/56/924407056.db2.gz OSXVMFPLGKDMHS-UHFFFAOYSA-N -1 3 386.256 3.644 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3cccc(F)c3)n2)c(F)c1F ZINC000678348648 924737096 /nfs/dbraw/zinc/73/70/96/924737096.db2.gz DPDVQJYIBHDAEX-UHFFFAOYSA-N -1 3 377.297 3.884 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000678616654 924842210 /nfs/dbraw/zinc/84/22/10/924842210.db2.gz AXPGUIYYZSPXLX-IRXDYDNUSA-N -1 3 396.491 3.828 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c(=O)[n-]1 ZINC000372015309 925068945 /nfs/dbraw/zinc/06/89/45/925068945.db2.gz ILIQLMUNILWWMP-HNNXBMFYSA-N -1 3 393.409 3.767 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1F ZINC000410416866 925619831 /nfs/dbraw/zinc/61/98/31/925619831.db2.gz IEIZLPYQQSOCHP-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410420113 925635271 /nfs/dbraw/zinc/63/52/71/925635271.db2.gz NZWUUMKYPDJHJX-UHFFFAOYSA-N -1 3 391.251 3.916 20 0 GHADHM O=C(C[C@@H]1CCc2sccc2C1=O)NCc1ccc([O-])c(Br)c1 ZINC001137446459 925824971 /nfs/dbraw/zinc/82/49/71/925824971.db2.gz WKCVZILHUOWZOK-NSHDSACASA-N -1 3 394.290 3.668 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000827651474 925898001 /nfs/dbraw/zinc/89/80/01/925898001.db2.gz CIGUTEBSZANAMI-UHFFFAOYSA-N -1 3 388.533 3.664 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1N1CCC(CO)CC1 ZINC000682513146 926148720 /nfs/dbraw/zinc/14/87/20/926148720.db2.gz SEVASRGYOCBRTK-UHFFFAOYSA-N -1 3 386.467 3.701 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000373459988 926154137 /nfs/dbraw/zinc/15/41/37/926154137.db2.gz NGYVPTDIKLHLSH-KRWDZBQOSA-N -1 3 390.487 3.883 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000411288737 926284849 /nfs/dbraw/zinc/28/48/49/926284849.db2.gz DYVPRGDFQZFNGL-SSDOTTSWSA-N -1 3 382.264 3.539 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000411288737 926284857 /nfs/dbraw/zinc/28/48/57/926284857.db2.gz DYVPRGDFQZFNGL-SSDOTTSWSA-N -1 3 382.264 3.539 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000389896024 926389785 /nfs/dbraw/zinc/38/97/85/926389785.db2.gz POWZYXBMKGPICL-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2ccccc2C(F)(F)F)c([O-])c1 ZINC000726208291 926588151 /nfs/dbraw/zinc/58/81/51/926588151.db2.gz ZFULLMVUFUYTML-UHFFFAOYSA-N -1 3 381.350 3.583 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(OC(C)C)cc3)[n-]c(=O)c12 ZINC000726431588 926660582 /nfs/dbraw/zinc/66/05/82/926660582.db2.gz CJNQJACEHHYNQE-UHFFFAOYSA-N -1 3 399.472 3.905 20 0 GHADHM COc1ccc(N[C@H]2CCC[C@@H](c3cccnc3)C2)cc1[N-]S(C)(=O)=O ZINC000374316738 927014358 /nfs/dbraw/zinc/01/43/58/927014358.db2.gz PNLKNUZHCSUJTG-ZBFHGGJFSA-N -1 3 375.494 3.600 20 0 GHADHM Cc1cnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)cn1 ZINC000749457313 927114945 /nfs/dbraw/zinc/11/49/45/927114945.db2.gz HUXTXCVBYYJKAJ-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000412209910 927211520 /nfs/dbraw/zinc/21/15/20/927211520.db2.gz GLGLMXJOJHYDGB-PKOBYXMFSA-N -1 3 390.842 3.563 20 0 GHADHM CC[C@@H](C)NC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000749751718 927260920 /nfs/dbraw/zinc/26/09/20/927260920.db2.gz KQWBDRDWXNSISP-CQSZACIVSA-N -1 3 377.535 3.881 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1[O-] ZINC000412292932 927304232 /nfs/dbraw/zinc/30/42/32/927304232.db2.gz WSOAKVPOKBPZLY-UHFFFAOYSA-N -1 3 380.444 3.782 20 0 GHADHM Cc1cc(C=CC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1C1CCCCC1 ZINC000750628961 927767020 /nfs/dbraw/zinc/76/70/20/927767020.db2.gz YWSQIEKJYYQYEC-HJWRWDBZSA-N -1 3 380.492 3.704 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)s1 ZINC000750720924 927813747 /nfs/dbraw/zinc/81/37/47/927813747.db2.gz CWTWSAQFVLMAEJ-LBPRGKRZSA-N -1 3 385.445 3.849 20 0 GHADHM COCCCOc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000750721462 927814013 /nfs/dbraw/zinc/81/40/13/927814013.db2.gz HIPCXYPFDRFYQZ-UHFFFAOYSA-N -1 3 394.427 3.792 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(-c4ccccn4)no3)nc(=O)c2c1C ZINC000750951747 927947592 /nfs/dbraw/zinc/94/75/92/927947592.db2.gz FVSCLKDWVIAEPV-SNVBAGLBSA-N -1 3 396.428 3.982 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1csc2ccccc21 ZINC000751073462 928014653 /nfs/dbraw/zinc/01/46/53/928014653.db2.gz AAJSZJVOBMPCIL-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM CCc1c(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])[nH]c(C)c1C(C)=O ZINC000751731035 928353018 /nfs/dbraw/zinc/35/30/18/928353018.db2.gz HNSHRXOQJNKZAD-UHFFFAOYSA-N -1 3 381.787 3.626 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000466899561 928488037 /nfs/dbraw/zinc/48/80/37/928488037.db2.gz KYEYPJNWAKWGLT-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM O=C(Cc1coc(-c2cccs2)n1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467718764 929335607 /nfs/dbraw/zinc/33/56/07/929335607.db2.gz SVQZNPABFRKSCW-UHFFFAOYSA-N -1 3 386.383 3.675 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1c(F)cccc1Cl ZINC000544714955 929486844 /nfs/dbraw/zinc/48/68/44/929486844.db2.gz XUGDIBBGLTYUKF-SSDOTTSWSA-N -1 3 382.638 3.874 20 0 GHADHM C[C@@H]1CCCC[C@H]1c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000544757844 929543764 /nfs/dbraw/zinc/54/37/64/929543764.db2.gz OCKQAVAQTJSVLW-BXUZGUMPSA-N -1 3 379.457 3.610 20 0 GHADHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469400923 929851114 /nfs/dbraw/zinc/85/11/14/929851114.db2.gz AJLYYBXQWGWVGY-IEBWSBKVSA-N -1 3 391.483 3.824 20 0 GHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000546176604 929930487 /nfs/dbraw/zinc/93/04/87/929930487.db2.gz FNWJVMDNDHAIEE-MRVPVSSYSA-N -1 3 378.185 3.598 20 0 GHADHM Cn1cc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccc(F)cc2)cn1 ZINC000469643557 930052130 /nfs/dbraw/zinc/05/21/30/930052130.db2.gz SAGQJSPPYIDZAQ-OAQYLSRUSA-N -1 3 385.414 3.632 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2nc(-c3ccccc3)cs2)cc1 ZINC000759252453 930320990 /nfs/dbraw/zinc/32/09/90/930320990.db2.gz ANMZXJYCPGQULS-UHFFFAOYSA-N -1 3 388.470 3.539 20 0 GHADHM CCOc1cccc([C@H](CC)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000759420501 930363566 /nfs/dbraw/zinc/36/35/66/930363566.db2.gz KUTTZHCXLCGREY-SFHVURJKSA-N -1 3 395.452 3.904 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC001256541965 930493721 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ZINC001121664560 934731604 /nfs/dbraw/zinc/73/16/04/934731604.db2.gz YLWHTKCBMIGFCJ-OAHLLOKOSA-N -1 3 392.931 3.695 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1ccc(C)o1 ZINC000778058938 934813301 /nfs/dbraw/zinc/81/33/01/934813301.db2.gz QFWVHDSWVMSXRJ-HNNXBMFYSA-N -1 3 385.869 3.500 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001122577793 934906488 /nfs/dbraw/zinc/90/64/88/934906488.db2.gz MGUWOBWLLFOZII-CRAIPNDOSA-N -1 3 397.479 3.653 20 0 GHADHM C[C@H](CC1CCCCC1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372369 935173045 /nfs/dbraw/zinc/17/30/45/935173045.db2.gz MJSVAQDZTRWFAG-WZONZLPQSA-N -1 3 386.536 3.829 20 0 GHADHM C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001124228028 935360410 /nfs/dbraw/zinc/36/04/10/935360410.db2.gz DFLSTQMEMZYBEL-UKRRQHHQSA-N -1 3 383.485 3.662 20 0 GHADHM COC(=O)C1([N-]C(=O)C(F)(F)c2cccc(Br)c2)CCCCC1 ZINC001124675732 935442295 /nfs/dbraw/zinc/44/22/95/935442295.db2.gz NCOZHVXLXMFDAP-UHFFFAOYSA-N -1 3 390.224 3.533 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Br)cn(C2CC2)c1=O ZINC001137701530 935732960 /nfs/dbraw/zinc/73/29/60/935732960.db2.gz APLWHSRMBNOISU-UHFFFAOYSA-N -1 3 383.629 3.557 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000829498420 935818474 /nfs/dbraw/zinc/81/84/74/935818474.db2.gz AUWAXKJUNTTZEH-HNNXBMFYSA-N -1 3 381.501 3.853 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1 ZINC000829672875 935843482 /nfs/dbraw/zinc/84/34/82/935843482.db2.gz KSQYLGFJVCRUPX-UHFFFAOYSA-N -1 3 395.912 3.801 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC001137898812 935854042 /nfs/dbraw/zinc/85/40/42/935854042.db2.gz GETIAHHGCLGPND-INIZCTEOSA-N -1 3 379.334 3.640 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829754711 935856280 /nfs/dbraw/zinc/85/62/80/935856280.db2.gz FAKHRIRMKJIBNV-UHFFFAOYSA-N -1 3 390.461 3.621 20 0 GHADHM Cc1ccc2nc(Cl)c(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC001137923817 935872347 /nfs/dbraw/zinc/87/23/47/935872347.db2.gz DOGKIJJIOGYXPJ-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)[n-]n1 ZINC001137978165 935903426 /nfs/dbraw/zinc/90/34/26/935903426.db2.gz ADAORXNNQAWORI-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n[n-]1 ZINC001137978165 935903430 /nfs/dbraw/zinc/90/34/30/935903430.db2.gz ADAORXNNQAWORI-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001138047218 935951630 /nfs/dbraw/zinc/95/16/30/935951630.db2.gz JWYAYWINYKMMPB-SUMWQHHRSA-N -1 3 378.394 3.661 20 0 GHADHM Brc1cc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1-c1nnn[n-]1 ZINC001573278894 946626305 /nfs/dbraw/zinc/62/63/05/946626305.db2.gz BCJOQZIIXOLPIQ-BFYDXBDKSA-N -1 3 382.265 3.627 20 0 GHADHM Brc1cc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1-c1nn[n-]n1 ZINC001573278894 946626318 /nfs/dbraw/zinc/62/63/18/946626318.db2.gz BCJOQZIIXOLPIQ-BFYDXBDKSA-N -1 3 382.265 3.627 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NCc2ccccc2-c2ncc[nH]2)c1 ZINC001573280585 946663070 /nfs/dbraw/zinc/66/30/70/946663070.db2.gz UMMXMHARJCOISJ-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NCc2ccccc2-c2ncc[nH]2)c1 ZINC001573280585 946663077 /nfs/dbraw/zinc/66/30/77/946663077.db2.gz UMMXMHARJCOISJ-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCc1cc(C)sc1C ZINC001573550552 946866269 /nfs/dbraw/zinc/86/62/69/946866269.db2.gz BFLIUJFMZZYXFR-UHFFFAOYSA-N -1 3 383.477 3.709 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCc1cc(C)sc1C ZINC001573550552 946866281 /nfs/dbraw/zinc/86/62/81/946866281.db2.gz BFLIUJFMZZYXFR-UHFFFAOYSA-N -1 3 383.477 3.709 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc12 ZINC001573363157 947709210 /nfs/dbraw/zinc/70/92/10/947709210.db2.gz BGVWFQOQESMBTJ-YRNVUSSQSA-N -1 3 393.838 3.747 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc12 ZINC001573363157 947709220 /nfs/dbraw/zinc/70/92/20/947709220.db2.gz BGVWFQOQESMBTJ-YRNVUSSQSA-N -1 3 393.838 3.747 20 0 GHADHM CC(=CC(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC001573365163 947729824 /nfs/dbraw/zinc/72/98/24/947729824.db2.gz SNWCGYGBNUBJHO-QXMHVHEDSA-N -1 3 399.376 3.878 20 0 GHADHM CC(=CC(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC001573365163 947729830 /nfs/dbraw/zinc/72/98/30/947729830.db2.gz SNWCGYGBNUBJHO-QXMHVHEDSA-N -1 3 399.376 3.878 20 0 GHADHM CC(C)c1ccc(C(=O)COc2nc(C(C)(C)C)ccc2-c2nnn[n-]2)cc1 ZINC001574416479 948750062 /nfs/dbraw/zinc/75/00/62/948750062.db2.gz VCBDFSAJGFLKRU-UHFFFAOYSA-N -1 3 379.464 3.944 20 0 GHADHM CC(C)c1ccc(C(=O)COc2nc(C(C)(C)C)ccc2-c2nn[n-]n2)cc1 ZINC001574416479 948750075 /nfs/dbraw/zinc/75/00/75/948750075.db2.gz VCBDFSAJGFLKRU-UHFFFAOYSA-N -1 3 379.464 3.944 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001574420586 948803039 /nfs/dbraw/zinc/80/30/39/948803039.db2.gz ZGIALHBKJUIQBX-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001574420586 948803052 /nfs/dbraw/zinc/80/30/52/948803052.db2.gz ZGIALHBKJUIQBX-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001574082133 948851472 /nfs/dbraw/zinc/85/14/72/948851472.db2.gz ARCGRYNIZZEQPS-OAQYLSRUSA-N -1 3 393.491 3.880 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001574082133 948851489 /nfs/dbraw/zinc/85/14/89/948851489.db2.gz ARCGRYNIZZEQPS-OAQYLSRUSA-N -1 3 393.491 3.880 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001574083809 948890118 /nfs/dbraw/zinc/89/01/18/948890118.db2.gz YCVARRWKNIJULY-MRXNPFEDSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001574083809 948890135 /nfs/dbraw/zinc/89/01/35/948890135.db2.gz YCVARRWKNIJULY-MRXNPFEDSA-N -1 3 390.802 3.668 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575503211 949038245 /nfs/dbraw/zinc/03/82/45/949038245.db2.gz KFQQZLRHYYHHNQ-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575503211 949038259 /nfs/dbraw/zinc/03/82/59/949038259.db2.gz KFQQZLRHYYHHNQ-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001574092173 949048735 /nfs/dbraw/zinc/04/87/35/949048735.db2.gz QMFJPZQJTTZQQS-DKSSEZFCSA-N -1 3 382.512 3.758 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001574092173 949048754 /nfs/dbraw/zinc/04/87/54/949048754.db2.gz QMFJPZQJTTZQQS-DKSSEZFCSA-N -1 3 382.512 3.758 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(Cl)nc2ccccc21 ZINC001575505030 949103798 /nfs/dbraw/zinc/10/37/98/949103798.db2.gz XUDSDVXHIWGFBF-LBPRGKRZSA-N -1 3 392.850 3.902 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(Cl)nc2ccccc21 ZINC001575505030 949103805 /nfs/dbraw/zinc/10/38/05/949103805.db2.gz XUDSDVXHIWGFBF-LBPRGKRZSA-N -1 3 392.850 3.902 20 0 GHADHM CC(C)(C(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573787084 949162632 /nfs/dbraw/zinc/16/26/32/949162632.db2.gz NCDIWZKVIISSHN-QGZVFWFLSA-N -1 3 399.857 3.741 20 0 GHADHM CC(C)(C(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573787084 949162644 /nfs/dbraw/zinc/16/26/44/949162644.db2.gz NCDIWZKVIISSHN-QGZVFWFLSA-N -1 3 399.857 3.741 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC001589605241 949247355 /nfs/dbraw/zinc/24/73/55/949247355.db2.gz PINWQNQZZWZSTE-FZKQIMNGSA-N -1 3 397.313 3.661 20 0 GHADHM CC1(c2ccccc2)CCN(c2ncc(-c3nnn[n-]3)cc2Br)CC1 ZINC001575856997 949260962 /nfs/dbraw/zinc/26/09/62/949260962.db2.gz MQHPWWFLXXLKPP-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM CC1(c2ccccc2)CCN(c2ncc(-c3nn[n-]n3)cc2Br)CC1 ZINC001575856997 949260984 /nfs/dbraw/zinc/26/09/84/949260984.db2.gz MQHPWWFLXXLKPP-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001576157210 949476870 /nfs/dbraw/zinc/47/68/70/949476870.db2.gz ZFTLAYDSJBGHPB-MNOVXSKESA-N -1 3 398.389 3.713 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001576157210 949476882 /nfs/dbraw/zinc/47/68/82/949476882.db2.gz ZFTLAYDSJBGHPB-MNOVXSKESA-N -1 3 398.389 3.713 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576158813 949503895 /nfs/dbraw/zinc/50/38/95/949503895.db2.gz URCXDZZNOFFUFK-HUUCEWRRSA-N -1 3 377.448 3.825 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576158813 949503913 /nfs/dbraw/zinc/50/39/13/949503913.db2.gz URCXDZZNOFFUFK-HUUCEWRRSA-N -1 3 377.448 3.825 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001573855583 950385144 /nfs/dbraw/zinc/38/51/44/950385144.db2.gz YMFUNGQRPDQPLM-GXSJLCMTSA-N -1 3 378.274 3.640 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001573855583 950385164 /nfs/dbraw/zinc/38/51/64/950385164.db2.gz YMFUNGQRPDQPLM-GXSJLCMTSA-N -1 3 378.274 3.640 20 0 GHADHM CC(C)(C)Cc1ncc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001573855547 950385761 /nfs/dbraw/zinc/38/57/61/950385761.db2.gz YDXSSVSCZXWYRM-UHFFFAOYSA-N -1 3 384.509 3.577 20 0 GHADHM CC(C)(C)Cc1ncc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001573855547 950385778 /nfs/dbraw/zinc/38/57/78/950385778.db2.gz YDXSSVSCZXWYRM-UHFFFAOYSA-N -1 3 384.509 3.577 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573860013 950411870 /nfs/dbraw/zinc/41/18/70/950411870.db2.gz AAUITRIWIBGYJY-SHTZXODSSA-N -1 3 387.484 3.577 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573860013 950411879 /nfs/dbraw/zinc/41/18/79/950411879.db2.gz AAUITRIWIBGYJY-SHTZXODSSA-N -1 3 387.484 3.577 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCCOc2ccc(Cl)c(F)c2)n1 ZINC001573881406 950749445 /nfs/dbraw/zinc/74/94/45/950749445.db2.gz DTNOFNWYEAPRKF-UHFFFAOYSA-N -1 3 391.834 3.810 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCCOc2ccc(Cl)c(F)c2)n1 ZINC001573881406 950749463 /nfs/dbraw/zinc/74/94/63/950749463.db2.gz DTNOFNWYEAPRKF-UHFFFAOYSA-N -1 3 391.834 3.810 20 0 GHADHM CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC001573882042 950763794 /nfs/dbraw/zinc/76/37/94/950763794.db2.gz PEQJTFZZQCDZKK-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM CCOC(=O)c1oc2ccc(Br)cc2c1CN(C)C[C@@H](C)C(=O)[O-] ZINC001591426387 951138460 /nfs/dbraw/zinc/13/84/60/951138460.db2.gz PUEHIJBPDZSVBJ-SNVBAGLBSA-N -1 3 398.253 3.525 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC001575188382 952447423 /nfs/dbraw/zinc/44/74/23/952447423.db2.gz HUJJTQJPLIOWNA-HXUWFJFHSA-N -1 3 380.427 3.539 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001575188382 952447426 /nfs/dbraw/zinc/44/74/26/952447426.db2.gz HUJJTQJPLIOWNA-HXUWFJFHSA-N -1 3 380.427 3.539 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC001593755383 954447222 /nfs/dbraw/zinc/44/72/22/954447222.db2.gz IPSVFODEPZFJKF-UHFFFAOYSA-N -1 3 387.307 3.719 20 0 GHADHM CCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000904189397 956916465 /nfs/dbraw/zinc/91/64/65/956916465.db2.gz LLXQIRXXJVDDCM-UHFFFAOYSA-N -1 3 385.508 3.669 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccsc1 ZINC001341345579 957979391 /nfs/dbraw/zinc/97/93/91/957979391.db2.gz VHPPGZRRTKLVNK-IRXDYDNUSA-N -1 3 381.542 3.560 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1ccccc1C(=O)[O-] ZINC001603234072 972360140 /nfs/dbraw/zinc/36/01/40/972360140.db2.gz FCEXVMPSARGNHB-WBVHZDCISA-N -1 3 392.496 3.531 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCc3c(F)cccc3Cl)o2)C1 ZINC001574652006 962443606 /nfs/dbraw/zinc/44/36/06/962443606.db2.gz QWDHGTFCVSLPPB-ZDUSSCGKSA-N -1 3 380.847 3.705 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001526688283 962874724 /nfs/dbraw/zinc/87/47/24/962874724.db2.gz VHCIGOMFXYVLQE-DVECYGJZSA-N -1 3 394.515 3.724 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)CN3CC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC001604006976 974512767 /nfs/dbraw/zinc/51/27/67/974512767.db2.gz WZXBUAPIMOGCOF-JOCHJYFZSA-N -1 3 379.460 3.550 20 0 GHADHM C[C@@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000565100994 974567859 /nfs/dbraw/zinc/56/78/59/974567859.db2.gz OWYPXYYAISZPCU-QGZVFWFLSA-N -1 3 379.254 3.791 20 0 GHADHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000756331921 978697877 /nfs/dbraw/zinc/69/78/77/978697877.db2.gz CQRYCBABBVCHAG-QGZVFWFLSA-N -1 3 379.840 3.671 20 0 GHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](CC(F)F)C(=O)[O-] ZINC000841807149 979313645 /nfs/dbraw/zinc/31/36/45/979313645.db2.gz MNEDJDQNXBKGAZ-AWEZNQCLSA-N -1 3 385.842 3.906 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)(NCc1ccn(CCc2ccccc2)n1)C(=O)[O-] ZINC001592840889 979610558 /nfs/dbraw/zinc/61/05/58/979610558.db2.gz TVDFEOIMIRCSHJ-QFIPXVFZSA-N 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O=C(OCC1CC(F)(F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000835493367 1022187289 /nfs/dbraw/zinc/18/72/89/1022187289.db2.gz YORYCZFVBHDITE-UHFFFAOYSA-N -1 3 399.390 3.829 20 0 GHADHM Cc1cccc(CNC(=O)c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)c1 ZINC001137442182 1022286609 /nfs/dbraw/zinc/28/66/09/1022286609.db2.gz WCJCNCTXDCTOKI-UHFFFAOYSA-N -1 3 392.430 3.700 20 0 GHADHM CCc1cc2c(CN[C@@H](c3nnc4ccccn43)C(C)C)cc(=O)oc2cc1[O-] ZINC000754189801 1022528574 /nfs/dbraw/zinc/52/85/74/1022528574.db2.gz OZBDQVABSJVAPF-OAQYLSRUSA-N -1 3 392.459 3.591 20 0 GHADHM COc1cc(C(=O)OCc2ccc(OCC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000754276578 1022577156 /nfs/dbraw/zinc/57/71/56/1022577156.db2.gz OPVBONASVYMDIN-UHFFFAOYSA-N -1 3 386.322 3.708 20 0 GHADHM COc1cc(C(=O)OCc2cc(F)cc(Br)c2)cc(OC)c1[O-] ZINC000754275045 1022577266 /nfs/dbraw/zinc/57/72/66/1022577266.db2.gz FUJRVAGNIRTFNG-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc(OC)c1[O-] ZINC000754276343 1022578103 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O=c1cc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)nc(C2CC2)[n-]1 ZINC001213261310 1028075623 /nfs/dbraw/zinc/07/56/23/1028075623.db2.gz OFXIMKUFGYWDKC-UHFFFAOYSA-N -1 3 383.717 3.844 20 0 GHADHM O=S(=O)([N-]CC1CCC2(CC2)CC1)c1cccc(Br)c1F ZINC001213276398 1028083682 /nfs/dbraw/zinc/08/36/82/1028083682.db2.gz RYLAACLUHSATHE-UHFFFAOYSA-N -1 3 376.291 3.837 20 0 GHADHM O=C1OC2(CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)c2cccnc21 ZINC001142118333 1028168513 /nfs/dbraw/zinc/16/85/13/1028168513.db2.gz HFZYPJOWYWVVTK-UHFFFAOYSA-N -1 3 379.243 3.756 20 0 GHADHM O=C1CC2(CN1CC1CC1)CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142118577 1028171107 /nfs/dbraw/zinc/17/11/07/1028171107.db2.gz RCLOPKPWODIOAJ-UHFFFAOYSA-N -1 3 383.319 3.924 20 0 GHADHM COc1ccnc(OC2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)n1 ZINC001142122168 1028186403 /nfs/dbraw/zinc/18/64/03/1028186403.db2.gz NGQHEUWQKOPMND-UHFFFAOYSA-N -1 3 384.263 3.541 20 0 GHADHM CC1(C)OC[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)[C@@H](c2ccccc2)O1 ZINC001213577470 1028276409 /nfs/dbraw/zinc/27/64/09/1028276409.db2.gz BGZHSNGXTPLLEJ-WTWCKAPFSA-N -1 3 391.464 3.609 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)c(Br)cc3F)no2)[n-]1 ZINC001213977097 1028484676 /nfs/dbraw/zinc/48/46/76/1028484676.db2.gz LOYHHBKAFBJJHT-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)[n-]1 ZINC001213977358 1028486798 /nfs/dbraw/zinc/48/67/98/1028486798.db2.gz YVLFXRPBJYWZQO-UHFFFAOYSA-N -1 3 390.399 3.882 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1cc(Br)ccc1F ZINC001213988558 1028496906 /nfs/dbraw/zinc/49/69/06/1028496906.db2.gz GSPAVOKSEDJZOU-VIFPVBQESA-N -1 3 386.233 3.692 20 0 GHADHM COC(=O)c1ccc(Br)c(Nc2c(Cl)ccc([O-])c2F)n1 ZINC001214558536 1028793147 /nfs/dbraw/zinc/79/31/47/1028793147.db2.gz ZCHUYOBNBBPNSH-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142426100 1028876920 /nfs/dbraw/zinc/87/69/20/1028876920.db2.gz CQMDMBMFIYXDFZ-UHFFFAOYSA-N -1 3 382.366 3.968 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCCc1cccc(C(=O)[O-])n1 ZINC000841815282 1028962995 /nfs/dbraw/zinc/96/29/95/1028962995.db2.gz HFQWLLSAUSIHTD-UHFFFAOYSA-N -1 3 398.894 3.627 20 0 GHADHM Cc1nc(F)ccc1CN[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000841816070 1028964555 /nfs/dbraw/zinc/96/45/55/1028964555.db2.gz OMPZDJPGJHMRJW-QLJPJBMISA-N -1 3 381.245 3.843 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(F)(F)F ZINC000402245822 1029251295 /nfs/dbraw/zinc/25/12/95/1029251295.db2.gz FKMYWXFXIAMLNK-MRVPVSSYSA-N -1 3 392.212 3.845 20 0 GHADHM CC(C)C[C@@H](N)c1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000842587042 1029396231 /nfs/dbraw/zinc/39/62/31/1029396231.db2.gz UMKCOBQAZMECSX-LLVKDONJSA-N -1 3 388.346 3.599 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC)c(SC)c1)OCC ZINC001215933490 1029461564 /nfs/dbraw/zinc/46/15/64/1029461564.db2.gz QKBSONKAIZVAIW-UHFFFAOYSA-N -1 3 379.482 3.598 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC001142842767 1029564979 /nfs/dbraw/zinc/56/49/79/1029564979.db2.gz CPNQHCCWPZAGNT-UHFFFAOYSA-N -1 3 387.237 3.755 20 0 GHADHM COc1ccc(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)c(Cl)c1[O-] ZINC001276736635 1029580795 /nfs/dbraw/zinc/58/07/95/1029580795.db2.gz XEONJMNWLCPYFO-FQEVSTJZSA-N -1 3 378.900 3.564 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)ccc1C(=O)OCc1ccccc1 ZINC001216385864 1029621303 /nfs/dbraw/zinc/62/13/03/1029621303.db2.gz YTVISECIMZABFR-UHFFFAOYSA-N -1 3 396.468 3.735 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC001142904982 1029666806 /nfs/dbraw/zinc/66/68/06/1029666806.db2.gz QXOYOQRCVZZDJH-UHFFFAOYSA-N -1 3 391.265 3.530 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cc(OC)c(OC)cc3Cl)no2)cc1OC ZINC001216743243 1029915182 /nfs/dbraw/zinc/91/51/82/1029915182.db2.gz NZRZLUULOUGVCX-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM CCN(CC)c1ccc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)cc1 ZINC001216962552 1030035778 /nfs/dbraw/zinc/03/57/78/1030035778.db2.gz VMHFNUDSYFHTKC-UHFFFAOYSA-N -1 3 392.459 3.835 20 0 GHADHM Cc1c(F)cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc1F ZINC001217017940 1030093950 /nfs/dbraw/zinc/09/39/50/1030093950.db2.gz ICLSUIINWKJMIK-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM COc1cc(Br)cc(-c2noc(-c3ccc([O-])cc3OC)n2)c1 ZINC001217084257 1030150663 /nfs/dbraw/zinc/15/06/63/1030150663.db2.gz AIFNCZFKXAOZAC-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM CC(=O)c1cc(-c2noc(-c3nc4cc(Br)ccc4[n-]3)n2)ccn1 ZINC001217322215 1030309098 /nfs/dbraw/zinc/30/90/98/1030309098.db2.gz UAGKNHHCPKUQPP-UHFFFAOYSA-N -1 3 384.193 3.640 20 0 GHADHM CC(=O)c1cc(-c2noc(-c3nc4ccc(Br)cc4[n-]3)n2)ccn1 ZINC001217322215 1030309108 /nfs/dbraw/zinc/30/91/08/1030309108.db2.gz UAGKNHHCPKUQPP-UHFFFAOYSA-N -1 3 384.193 3.640 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)C1=O ZINC001217355663 1030330995 /nfs/dbraw/zinc/33/09/95/1030330995.db2.gz VPLASYZECVCSDM-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3cc4cc(O)ccc4cc3[O-])n2)c1 ZINC001217418068 1030379373 /nfs/dbraw/zinc/37/93/73/1030379373.db2.gz ZHZQQZLRWMDNNH-UHFFFAOYSA-N -1 3 391.383 3.601 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4cncc(C)c4)no3)c1[O-])CCCC2 ZINC001217447780 1030400556 /nfs/dbraw/zinc/40/05/56/1030400556.db2.gz VXHPWYOWBQFNHW-UHFFFAOYSA-N -1 3 379.416 3.868 20 0 GHADHM CC(C)C(=O)N1CCCc2sc(C(=O)[N-]c3nc4ccc(F)cc4o3)nc21 ZINC001150335818 1030493941 /nfs/dbraw/zinc/49/39/41/1030493941.db2.gz XKNUPKGJCQBLEG-UHFFFAOYSA-N -1 3 388.424 3.611 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001150366285 1030506678 /nfs/dbraw/zinc/50/66/78/1030506678.db2.gz HUCUXBXQBDKDEH-UHFFFAOYSA-N -1 3 394.381 3.577 20 0 GHADHM CCOc1cccc2cc(C(=O)Nc3ncc([O-])cc3Br)oc21 ZINC001150519596 1030552153 /nfs/dbraw/zinc/55/21/53/1030552153.db2.gz UECDPEHKZTYOCD-UHFFFAOYSA-N -1 3 377.194 3.947 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(Cl)ccc2OC)no1 ZINC001217637912 1030561840 /nfs/dbraw/zinc/56/18/40/1030561840.db2.gz VYDWBNJXISLRKC-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM C[C@H]1C[NH2+]CCC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001217985601 1030705632 /nfs/dbraw/zinc/70/56/32/1030705632.db2.gz CEKKUVNRPMMIIL-SUMWQHHRSA-N -1 3 381.428 3.638 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1c(Cl)cnnc1Cl ZINC001151365389 1030879727 /nfs/dbraw/zinc/87/97/27/1030879727.db2.gz YFMQQLAFKDSIDK-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM O=C(Nc1cc(-c2ccncc2)no1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821763 1031018383 /nfs/dbraw/zinc/01/83/83/1031018383.db2.gz VPSKPGXALUMJAM-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1cc(-c2ccncc2)no1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821763 1031018397 /nfs/dbraw/zinc/01/83/97/1031018397.db2.gz VPSKPGXALUMJAM-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1noc(-c2ccc(NC(=O)c3nc4cc(Br)ccc4[n-]3)cc2)n1 ZINC001151827257 1031023690 /nfs/dbraw/zinc/02/36/90/1031023690.db2.gz ZHJBOQLAEHUQSS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1noc(-c2ccc(NC(=O)c3nc4ccc(Br)cc4[n-]3)cc2)n1 ZINC001151827257 1031023706 /nfs/dbraw/zinc/02/37/06/1031023706.db2.gz ZHJBOQLAEHUQSS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc3nc(N)sc32)c([O-])c1 ZINC001152179578 1031135370 /nfs/dbraw/zinc/13/53/70/1031135370.db2.gz UKHMEVYRMRSKCT-UHFFFAOYSA-N -1 3 385.445 3.792 20 0 GHADHM CC(C)Oc1ncc(Br)cc1COc1ccc2c([O-])coc2c1 ZINC001225340528 1031355657 /nfs/dbraw/zinc/35/56/57/1031355657.db2.gz OXKBWXXAZYDSLS-UHFFFAOYSA-N -1 3 378.222 3.785 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(F)c2OC(F)(F)F)c([O-])c1 ZINC001153027382 1031436127 /nfs/dbraw/zinc/43/61/27/1031436127.db2.gz GMIWROCFNASSQH-UHFFFAOYSA-N -1 3 387.285 3.859 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC001219749062 1031591355 /nfs/dbraw/zinc/59/13/55/1031591355.db2.gz NZAKDTPQTWYZQN-UHFFFAOYSA-N -1 3 395.366 3.872 20 0 GHADHM O=C(c1c([O-])ccc2ccccc21)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001153506134 1031622608 /nfs/dbraw/zinc/62/26/08/1031622608.db2.gz RGQPOJAKXCLLOK-AEFFLSMTSA-N -1 3 393.512 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850283 1031651189 /nfs/dbraw/zinc/65/11/89/1031651189.db2.gz IOWUNPLDGRXEJC-IVZWLZJFSA-N -1 3 391.415 3.703 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@@H]1CCCc2c(Br)cccc21 ZINC001225900965 1031684614 /nfs/dbraw/zinc/68/46/14/1031684614.db2.gz KROQXOJFPMZYRK-CQSZACIVSA-N -1 3 393.237 3.578 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H]1CCCc2ccc(Br)cc21 ZINC001225900643 1031685046 /nfs/dbraw/zinc/68/50/46/1031685046.db2.gz HBLAZTZERBKFJE-AWEZNQCLSA-N -1 3 393.237 3.578 20 0 GHADHM CC(=O)c1ccc([O-])c(OC2CN(Cc3ccc(Br)cc3)C2)c1 ZINC001225993164 1031732377 /nfs/dbraw/zinc/73/23/77/1031732377.db2.gz FEYLPDWRJDADHT-UHFFFAOYSA-N -1 3 376.250 3.621 20 0 GHADHM S=c1ncc(C2CC2)c(OC[C@@H]2COc3cc(Br)ccc3O2)[n-]1 ZINC001226119211 1031797668 /nfs/dbraw/zinc/79/76/68/1031797668.db2.gz LMYLWXNHVZYPRM-NSHDSACASA-N -1 3 395.278 3.624 20 0 GHADHM C/C=C\C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OCC ZINC001153949521 1031832449 /nfs/dbraw/zinc/83/24/49/1031832449.db2.gz DSEIJBGSACSJPW-DXTPNHAXSA-N -1 3 390.224 3.555 20 0 GHADHM C/C=C\C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OCC ZINC001153949523 1031832672 /nfs/dbraw/zinc/83/26/72/1031832672.db2.gz DSEIJBGSACSJPW-HSBHDXMMSA-N -1 3 390.224 3.555 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]([C@H]2F)N3C(=O)OC(C)(C)C)c1O ZINC001226478920 1031974075 /nfs/dbraw/zinc/97/40/75/1031974075.db2.gz JRWQFAHJVUVBPQ-WXYCVUISSA-N -1 3 395.427 3.558 20 0 GHADHM CC(=O)c1ccc([O-])c(OC(C)(C)[C@H]2Cc3cc4ccc(=O)oc4cc3O2)c1O ZINC001226483568 1031975185 /nfs/dbraw/zinc/97/51/85/1031975185.db2.gz WFLNNXWNIKNRRM-GOSISDBHSA-N -1 3 396.395 3.568 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001226486095 1031978091 /nfs/dbraw/zinc/97/80/91/1031978091.db2.gz SMWLZXKDBDMGJM-ZDUSSCGKSA-N -1 3 379.453 3.857 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(OC)cc2I)c1[O-] ZINC001154205114 1031984949 /nfs/dbraw/zinc/98/49/49/1031984949.db2.gz BDBHEBFKXWYWEC-UHFFFAOYSA-N -1 3 397.212 3.820 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226596636 1032032516 /nfs/dbraw/zinc/03/25/16/1032032516.db2.gz NFNJGWBQRLXLHX-CJNGLKHVSA-N -1 3 389.448 3.913 20 0 GHADHM CO[C@H](C)CO[C@H](C)COc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267961 1033380404 /nfs/dbraw/zinc/38/04/04/1033380404.db2.gz XKEFYEPWJWEPIT-HUUCEWRRSA-N -1 3 384.428 3.984 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1ccccc1OC(F)(F)F ZINC001229337910 1033423582 /nfs/dbraw/zinc/42/35/82/1033423582.db2.gz NUBAAUFYJFQTHU-SNVBAGLBSA-N -1 3 380.326 3.914 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1ccccc1OC(F)(F)F ZINC001229337910 1033423584 /nfs/dbraw/zinc/42/35/84/1033423584.db2.gz NUBAAUFYJFQTHU-SNVBAGLBSA-N -1 3 380.326 3.914 20 0 GHADHM O=C1C[C@H]2C[C@H](Oc3nc(=S)[n-]c4sccc43)[C@@H](C1)N2Cc1ccccc1 ZINC001229568045 1033562511 /nfs/dbraw/zinc/56/25/11/1033562511.db2.gz VAPDLDNWYUOBDY-XKQJLSEDSA-N -1 3 397.525 3.733 20 0 GHADHM Cc1cc(Cl)ccc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC001206059849 1033702959 /nfs/dbraw/zinc/70/29/59/1033702959.db2.gz HBYVPVGVQPKGHG-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(OCCOC)c(Br)c2)c1[O-] ZINC001158052010 1033886739 /nfs/dbraw/zinc/88/67/39/1033886739.db2.gz MIIDYQBPMTUQNQ-UHFFFAOYSA-N -1 3 394.265 3.995 20 0 GHADHM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001158177682 1033954459 /nfs/dbraw/zinc/95/44/59/1033954459.db2.gz HWZIAMRVJYMJLR-ZDUSSCGKSA-N -1 3 394.299 3.641 20 0 GHADHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2[n-]c(=O)nc3c4ccccc4oc32)C1 ZINC001230662348 1034166335 /nfs/dbraw/zinc/16/63/35/1034166335.db2.gz BMVVDONPHWWSSI-UONOGXRCSA-N -1 3 376.416 3.691 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cnc(-c2ccccc2)s1 ZINC001158784472 1034271287 /nfs/dbraw/zinc/27/12/87/1034271287.db2.gz RDWGKIGSESLMAL-CTYIDZIISA-N -1 3 380.473 3.762 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001158928802 1034341500 /nfs/dbraw/zinc/34/15/00/1034341500.db2.gz CTUBMLBBHPQIDL-FQEVSTJZSA-N -1 3 392.521 3.730 20 0 GHADHM CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063150 1034408084 /nfs/dbraw/zinc/40/80/84/1034408084.db2.gz GHBWRRCALKSBMQ-IAQYHMDHSA-N -1 3 376.457 3.537 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Br)cc12)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063165 1034408137 /nfs/dbraw/zinc/40/81/37/1034408137.db2.gz GRDCTWVQIUSKPY-UHFFFAOYSA-N -1 3 385.221 3.694 20 0 GHADHM CCc1c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cnn1-c1ccc(Cl)cc1 ZINC001159063385 1034408163 /nfs/dbraw/zinc/40/81/63/1034408163.db2.gz LNTSMMBILZAYOJ-UHFFFAOYSA-N -1 3 381.823 3.922 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231120999 1034412280 /nfs/dbraw/zinc/41/22/80/1034412280.db2.gz CGXHTWNNLLQIHH-SFHVURJKSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231120999 1034412286 /nfs/dbraw/zinc/41/22/86/1034412286.db2.gz CGXHTWNNLLQIHH-SFHVURJKSA-N -1 3 393.447 3.738 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231459521 1034602283 /nfs/dbraw/zinc/60/22/83/1034602283.db2.gz CFDANQVXSJRXJC-WOJBJXKFSA-N -1 3 385.435 3.835 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001159552240 1034661116 /nfs/dbraw/zinc/66/11/16/1034661116.db2.gz XXBGZSYPASQUSV-UHFFFAOYSA-N -1 3 376.210 3.709 20 0 GHADHM CC(C)Oc1ncnc2c1CCN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001231522632 1034673740 /nfs/dbraw/zinc/67/37/40/1034673740.db2.gz IKLBHHOWFMIZLU-UHFFFAOYSA-N -1 3 381.398 3.589 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc([O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC001231523676 1034675391 /nfs/dbraw/zinc/67/53/91/1034675391.db2.gz VCFDPNYEHUMFMW-UKRRQHHQSA-N -1 3 386.414 3.852 20 0 GHADHM Cn1nc(COCC2CC2)c2c1CCN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231523207 1034675464 /nfs/dbraw/zinc/67/54/64/1034675464.db2.gz YNUHPUKFVWREQX-UHFFFAOYSA-N -1 3 395.425 3.629 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1cn(-c2ccc(Br)cc2)nn1 ZINC001159658624 1034704680 /nfs/dbraw/zinc/70/46/80/1034704680.db2.gz VXFDFUAHDQCILV-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1c(C)cc(C(C)(C)C)cc1C ZINC001208034892 1034712205 /nfs/dbraw/zinc/71/22/05/1034712205.db2.gz ORXWAOQRAYHERS-UHFFFAOYSA-N -1 3 397.972 3.817 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(SC(F)(F)F)c1 ZINC001208200874 1034793564 /nfs/dbraw/zinc/79/35/64/1034793564.db2.gz QPSXLRHCHJFVEK-UHFFFAOYSA-N -1 3 399.394 3.556 20 0 GHADHM Cc1ccc([O-])c(CN2CCN([C@H](C)c3ccc(Br)cc3)CC2)n1 ZINC001231676425 1034827320 /nfs/dbraw/zinc/82/73/20/1034827320.db2.gz FXWFLYBKUXWPCQ-OAHLLOKOSA-N -1 3 390.325 3.737 20 0 GHADHM CCOC(=O)C1(F)CCN(Cc2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC001231677305 1034828693 /nfs/dbraw/zinc/82/86/93/1034828693.db2.gz DKVIVOXWBZTFOK-UHFFFAOYSA-N -1 3 385.435 3.919 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)sc1Cl ZINC001208307808 1034854581 /nfs/dbraw/zinc/85/45/81/1034854581.db2.gz JNUZTWJDFJTFRM-HNNXBMFYSA-N -1 3 384.954 3.653 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]CCSC(F)(F)F)c1Br ZINC001208369891 1034873215 /nfs/dbraw/zinc/87/32/15/1034873215.db2.gz LPWNLDHMOWMRRT-UHFFFAOYSA-N -1 3 398.291 3.659 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 ZINC001208381210 1034876791 /nfs/dbraw/zinc/87/67/91/1034876791.db2.gz VQRYMWCGMHNQQC-SFHVURJKSA-N -1 3 380.448 3.729 20 0 GHADHM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 ZINC001208531442 1034926533 /nfs/dbraw/zinc/92/65/33/1034926533.db2.gz VHTVEVUMWAEPCO-MQNRADLISA-N -1 3 396.534 3.526 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCCCC2)s1 ZINC001208661731 1034973231 /nfs/dbraw/zinc/97/32/31/1034973231.db2.gz ILYJCRCWCNLRGU-UHFFFAOYSA-N -1 3 386.926 3.943 20 0 GHADHM CC(=O)N(Cc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1)C(C)C ZINC001160775662 1035064101 /nfs/dbraw/zinc/06/41/01/1035064101.db2.gz SCVZFOZGDCVBKR-UHFFFAOYSA-N -1 3 391.471 3.846 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC=CC3)ccc2C)c(C)c1 ZINC001160936299 1035098222 /nfs/dbraw/zinc/09/82/22/1035098222.db2.gz PNYNJLSGXZGBBU-UHFFFAOYSA-N -1 3 384.501 3.733 20 0 GHADHM CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160948034 1035101183 /nfs/dbraw/zinc/10/11/83/1035101183.db2.gz FEJBTVHNUHKPQZ-UHFFFAOYSA-N -1 3 388.431 3.821 20 0 GHADHM CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160948034 1035101190 /nfs/dbraw/zinc/10/11/90/1035101190.db2.gz FEJBTVHNUHKPQZ-UHFFFAOYSA-N -1 3 388.431 3.821 20 0 GHADHM O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001161324681 1035208697 /nfs/dbraw/zinc/20/86/97/1035208697.db2.gz HPQZJKDSNWCFNF-UHFFFAOYSA-N -1 3 378.334 3.768 20 0 GHADHM COc1cc(Br)cc(-c2noc(Cc3ccc([O-])cc3F)n2)c1 ZINC001248142660 1035562183 /nfs/dbraw/zinc/56/21/83/1035562183.db2.gz UZBFWCJBBJXOTB-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CCC1(CC)CCC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC001248243845 1035689459 /nfs/dbraw/zinc/68/94/59/1035689459.db2.gz ZCRUXEAJLDVZIQ-UHFFFAOYSA-N -1 3 387.524 3.609 20 0 GHADHM CC(=O)c1ccc(-c2noc([C@@H](N)Cc3ccc([O-])c(Cl)c3)n2)c(F)c1 ZINC001248250258 1035700102 /nfs/dbraw/zinc/70/01/02/1035700102.db2.gz STARLBFDKNLIBB-HNNXBMFYSA-N -1 3 375.787 3.680 20 0 GHADHM O=C(NCc1nc(-c2ccc(Cl)c(F)c2Cl)no1)c1ccccc1[O-] ZINC001248499428 1035917637 /nfs/dbraw/zinc/91/76/37/1035917637.db2.gz DEGAENGKTPYOTC-UHFFFAOYSA-N -1 3 382.178 3.818 20 0 GHADHM Cc1c(-c2noc(CNC(=O)c3ccccc3[O-])n2)cccc1C(F)(F)F ZINC001248499576 1035917875 /nfs/dbraw/zinc/91/78/75/1035917875.db2.gz HOUVUKHFSYJIGR-UHFFFAOYSA-N -1 3 377.322 3.699 20 0 GHADHM CCOc1ccc(F)c(-c2cc(-c3nnn[n-]3)ccc2OC)c1Br ZINC001243255246 1036079584 /nfs/dbraw/zinc/07/95/84/1036079584.db2.gz DDTAGJMWBLLVML-UHFFFAOYSA-N -1 3 393.216 3.843 20 0 GHADHM CCOc1ccc(F)c(-c2cc(-c3nn[n-]n3)ccc2OC)c1Br ZINC001243255246 1036079605 /nfs/dbraw/zinc/07/96/05/1036079605.db2.gz DDTAGJMWBLLVML-UHFFFAOYSA-N -1 3 393.216 3.843 20 0 GHADHM CCOC(=O)c1nc2cc(C(F)(F)F)c(-c3c([O-])cccc3Cl)cn2n1 ZINC001244047848 1036366891 /nfs/dbraw/zinc/36/68/91/1036366891.db2.gz VECQMAWKSZVONX-UHFFFAOYSA-N -1 3 385.729 3.951 20 0 GHADHM COCCOc1ccc2ncnc(-c3cc(OC(F)(F)F)ccc3[O-])c2c1 ZINC001244458414 1036510147 /nfs/dbraw/zinc/51/01/47/1036510147.db2.gz KVFNECKQCVOFAG-UHFFFAOYSA-N -1 3 380.322 3.926 20 0 GHADHM COCCc1ccc(OCc2ccc(-c3cncc(-c4nnn[n-]4)c3)cc2)cc1 ZINC001245174082 1036801632 /nfs/dbraw/zinc/80/16/32/1036801632.db2.gz PHLXBKJBTLXXAA-UHFFFAOYSA-N -1 3 387.443 3.697 20 0 GHADHM COCCc1ccc(OCc2ccc(-c3cncc(-c4nn[n-]n4)c3)cc2)cc1 ZINC001245174082 1036801658 /nfs/dbraw/zinc/80/16/58/1036801658.db2.gz PHLXBKJBTLXXAA-UHFFFAOYSA-N -1 3 387.443 3.697 20 0 GHADHM CCOC(=O)c1ccccc1NC(=S)Nc1ncc([O-])cc1Br ZINC001245377391 1036901654 /nfs/dbraw/zinc/90/16/54/1036901654.db2.gz GYFPIWMLYSKUIR-UHFFFAOYSA-N -1 3 396.266 3.535 20 0 GHADHM [O-]c1cccc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1Cl ZINC001232786392 1038553195 /nfs/dbraw/zinc/55/31/95/1038553195.db2.gz WLJVABYRPQBKEW-RXVVDRJESA-N -1 3 388.895 3.891 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1Cl ZINC001232787683 1038555620 /nfs/dbraw/zinc/55/56/20/1038555620.db2.gz QPGQBPMZIFQFQZ-NLWGTHIKSA-N -1 3 388.895 3.779 20 0 GHADHM C[C@@H]1Cc2ccccc2CN1Cc1ccc([O-])c(I)c1 ZINC001232870062 1038636321 /nfs/dbraw/zinc/63/63/21/1038636321.db2.gz MLPQKCYGGDRGNA-GFCCVEGCSA-N -1 3 379.241 3.944 20 0 GHADHM [O-]c1ccc(CN2CCC(c3ccncc3)CC2)cc1I ZINC001232873109 1038637385 /nfs/dbraw/zinc/63/73/85/1038637385.db2.gz QIFVSIDJVWXTBM-UHFFFAOYSA-N -1 3 394.256 3.771 20 0 GHADHM [O-]c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1I ZINC001232873205 1038640070 /nfs/dbraw/zinc/64/00/70/1038640070.db2.gz SKWDPKQDVPENDG-KRWDZBQOSA-N -1 3 395.240 3.570 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1I ZINC001232872763 1038641269 /nfs/dbraw/zinc/64/12/69/1038641269.db2.gz IUAUVUZMEHZIJC-CQSZACIVSA-N -1 3 394.256 3.771 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1 ZINC001232931493 1038715290 /nfs/dbraw/zinc/71/52/90/1038715290.db2.gz PDAGOBIAKQRCNE-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM [O-]c1c(F)ccc(CN2CC(c3ncn4cc(Br)ccc34)C2)c1F ZINC001232937728 1038717375 /nfs/dbraw/zinc/71/73/75/1038717375.db2.gz SOCHEQXPALFGGF-UHFFFAOYSA-N -1 3 394.219 3.680 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232970194 1038742577 /nfs/dbraw/zinc/74/25/77/1038742577.db2.gz BFWJUZZGCWIOOI-INIZCTEOSA-N -1 3 378.463 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CCN(Cc1cc(Cl)ncc1[O-])CC2 ZINC001233032249 1038784941 /nfs/dbraw/zinc/78/49/41/1038784941.db2.gz HQBSVNPNCHMUBK-UHFFFAOYSA-N -1 3 381.904 3.806 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cc(Cl)ncc3[O-])C2)C1 ZINC001233036976 1038793822 /nfs/dbraw/zinc/79/38/22/1038793822.db2.gz UNYLUVVRLVGBQX-BEFAXECRSA-N -1 3 399.894 3.612 20 0 GHADHM Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ncc1[O-] ZINC001233039337 1038796604 /nfs/dbraw/zinc/79/66/04/1038796604.db2.gz UEFOCMVEBPFBTC-MUJYYYPQSA-N -1 3 375.904 3.832 20 0 GHADHM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cccc([O-])c1F)C2 ZINC001233052276 1038810873 /nfs/dbraw/zinc/81/08/73/1038810873.db2.gz KAYGOGBHWQEWTE-UHFFFAOYSA-N -1 3 378.451 3.652 20 0 GHADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001252263907 1038916258 /nfs/dbraw/zinc/91/62/58/1038916258.db2.gz NQJYUHBIWXHDDD-HNNXBMFYSA-N -1 3 391.471 3.976 20 0 GHADHM [O-]c1ccc(I)c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC001252260221 1038916386 /nfs/dbraw/zinc/91/63/86/1038916386.db2.gz KSAYRSSGIZCRKG-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM FC1(F)CCN(Cc2ccc([S-])cc2)C[C@@]12CCN(c1cnccn1)C2 ZINC001233260592 1039030761 /nfs/dbraw/zinc/03/07/61/1039030761.db2.gz KIZGDFDWKSLOIL-GOSISDBHSA-N -1 3 376.476 3.503 20 0 GHADHM [O-]c1ccc(F)c(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1F ZINC001233394381 1039227559 /nfs/dbraw/zinc/22/75/59/1039227559.db2.gz LOPOOOYTJIPXSC-GHTZIAJQSA-N -1 3 390.430 3.516 20 0 GHADHM O=C1N(CC2CCCC2)CCC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394496 1039227969 /nfs/dbraw/zinc/22/79/69/1039227969.db2.gz QFGQRGCTEWRLAR-UHFFFAOYSA-N -1 3 378.463 3.675 20 0 GHADHM COc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233400038 1039237377 /nfs/dbraw/zinc/23/73/77/1039237377.db2.gz TXBKJFSPKDCZKL-ZDUSSCGKSA-N -1 3 384.904 3.791 20 0 GHADHM COc1ccc(CN2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(Cl)c1[O-] ZINC001233400658 1039241651 /nfs/dbraw/zinc/24/16/51/1039241651.db2.gz SEKPYSIABBUOCL-SNVBAGLBSA-N -1 3 391.777 3.836 20 0 GHADHM COc1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c(Cl)c1[O-] ZINC001233401665 1039243116 /nfs/dbraw/zinc/24/31/16/1039243116.db2.gz JONSLNOZLMWGKD-UHFFFAOYSA-N -1 3 380.916 3.669 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233591937 1039464291 /nfs/dbraw/zinc/46/42/91/1039464291.db2.gz IKKYFKZCULZWGH-APWZRJJASA-N -1 3 383.872 3.901 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001233593023 1039465150 /nfs/dbraw/zinc/46/51/50/1039465150.db2.gz SOTVMQXYVBALGG-CYBMUJFWSA-N -1 3 383.872 3.901 20 0 GHADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001233592838 1039465594 /nfs/dbraw/zinc/46/55/94/1039465594.db2.gz QVEBFUCMYSFBMZ-IBGZPJMESA-N -1 3 385.851 3.687 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nnc(-c4cc(OC)cc(OC)c4)o3)c2c1 ZINC001253836320 1039844725 /nfs/dbraw/zinc/84/47/25/1039844725.db2.gz TUSBVVRDYRTUTF-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM COc1ccc(C(=O)OC(C)(C)c2cn(-c3ccc(Cl)cc3[O-])nn2)cc1 ZINC001254165047 1040017490 /nfs/dbraw/zinc/01/74/90/1040017490.db2.gz IWTKXZOMRDJVJG-UHFFFAOYSA-N -1 3 387.823 3.727 20 0 GHADHM O=C1C[C@H]2C[C@@H](Oc3c([O-])cc(Cl)cc3F)[C@@H](C1)N2Cc1ccccc1 ZINC001234445060 1040038217 /nfs/dbraw/zinc/03/82/17/1040038217.db2.gz WOWNRWDIBSXMPK-POZUXBRTSA-N -1 3 375.827 3.938 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](Oc3c([O-])cc(Cl)cc3F)CO2)C1 ZINC001234446946 1040039368 /nfs/dbraw/zinc/03/93/68/1040039368.db2.gz HQYIJWSMPSBXPQ-SGTLLEGYSA-N -1 3 387.835 3.732 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1c([O-])cc(Cl)cc1F)CCO2 ZINC001234446390 1040039486 /nfs/dbraw/zinc/03/94/86/1040039486.db2.gz DJTGIFKAMMNGGN-LBPRGKRZSA-N -1 3 387.835 3.732 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H]1CCCn2cc(C)nc21 ZINC001234609219 1040167019 /nfs/dbraw/zinc/16/70/19/1040167019.db2.gz PRXISIKSLPIRHW-CYBMUJFWSA-N -1 3 395.253 3.750 20 0 GHADHM C=CC(=O)OC[C@H](C)Oc1c(OC)c([O-])cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC001234760037 1040288712 /nfs/dbraw/zinc/28/87/12/1040288712.db2.gz VIYASAQXCWFXTH-GUYCJALGSA-N -1 3 398.411 3.604 20 0 GHADHM COc1cc(OC[C@@H](C)OC)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234784455 1040316975 /nfs/dbraw/zinc/31/69/75/1040316975.db2.gz RCOVFKUNEXCCOC-GFCCVEGCSA-N -1 3 386.400 3.597 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1C(C)=O ZINC001234791578 1040322727 /nfs/dbraw/zinc/32/27/27/1040322727.db2.gz PJJXGNOSIWPNLW-UKRRQHHQSA-N -1 3 397.443 3.638 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2nc(=O)[n-]c3c2SCCC3)CC1 ZINC001234905247 1040420725 /nfs/dbraw/zinc/42/07/25/1040420725.db2.gz CJZBMQNMJDNKOI-JOCQHMNTSA-N -1 3 395.525 3.777 20 0 GHADHM Cc1cc(Cl)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC001235179046 1040669309 /nfs/dbraw/zinc/66/93/09/1040669309.db2.gz DZEYENHXMHJETF-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2F)c1I ZINC001255501278 1041094541 /nfs/dbraw/zinc/09/45/41/1041094541.db2.gz PTFVITZNKYMLSY-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F ZINC001256103079 1041530187 /nfs/dbraw/zinc/53/01/87/1041530187.db2.gz WXTLZUXWIVHRGS-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C(F)(F)F)c(C)cc1Cl ZINC001256211415 1041650973 /nfs/dbraw/zinc/65/09/73/1041650973.db2.gz KTOYKBUGARUPJY-CQSZACIVSA-N -1 3 378.803 3.934 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2C(F)(F)F)COC1)c1ccccc1Cl ZINC001256346589 1041707454 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Cc1ccc(-c2nnco2)cc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001291553749 1043339953 /nfs/dbraw/zinc/33/99/53/1043339953.db2.gz XEDQBMBJIGWDEY-UHFFFAOYSA-N -1 3 380.791 3.792 20 0 GHADHM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001292822742 1043897948 /nfs/dbraw/zinc/89/79/48/1043897948.db2.gz ZIIQOQGLUAVQIR-UHFFFAOYSA-N -1 3 380.448 3.655 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)s1 ZINC001292873736 1043924497 /nfs/dbraw/zinc/92/44/97/1043924497.db2.gz WCPPGBRYAQYISS-UHFFFAOYSA-N -1 3 386.437 3.528 20 0 GHADHM COC(=O)C12CCC([N-]S(=O)(=O)c3cccc(Cl)c3Cl)(CC1)CC2 ZINC001257272606 1043951732 /nfs/dbraw/zinc/95/17/32/1043951732.db2.gz XKVSCBMJRAYWIK-UHFFFAOYSA-N -1 3 392.304 3.538 20 0 GHADHM COc1cccc2c1CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC001257284842 1043957139 /nfs/dbraw/zinc/95/71/39/1043957139.db2.gz XBAIHVWXLNRONC-LBPRGKRZSA-N -1 3 386.300 3.838 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC(C)(C)N1O ZINC001257284820 1043957450 /nfs/dbraw/zinc/95/74/50/1043957450.db2.gz WBOHDVOIHGVATE-UHFFFAOYSA-N -1 3 381.325 3.683 20 0 GHADHM O=S(=O)([N-][C@H](CO)Cc1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC001257288346 1043958276 /nfs/dbraw/zinc/95/82/76/1043958276.db2.gz DEWOQAKRRXYJSJ-LBPRGKRZSA-N -1 3 394.707 3.529 20 0 GHADHM CCOC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC001257293040 1043959342 /nfs/dbraw/zinc/95/93/42/1043959342.db2.gz DCCLGCMZIPRVDJ-UHFFFAOYSA-N -1 3 380.293 3.538 20 0 GHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccccc1 ZINC001257439020 1043998625 /nfs/dbraw/zinc/99/86/25/1043998625.db2.gz WLEJRPYWIUBKME-NSHDSACASA-N -1 3 394.301 3.638 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257794932 1044179318 /nfs/dbraw/zinc/17/93/18/1044179318.db2.gz HRADXQLABKKEPO-DYVFJYSZSA-N -1 3 399.343 3.792 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC001257795416 1044179550 /nfs/dbraw/zinc/17/95/50/1044179550.db2.gz UDNIUHLFCNOZSB-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001462803871 1070556556 /nfs/dbraw/zinc/55/65/56/1070556556.db2.gz PLJAEITXVNASJU-VIFPVBQESA-N -1 3 387.308 3.600 20 0 GHADHM COc1cc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c2ccccc2n1 ZINC001294074194 1044457319 /nfs/dbraw/zinc/45/73/19/1044457319.db2.gz SOUYMHODMVODLE-UHFFFAOYSA-N -1 3 393.830 3.668 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)c1cccc(Cl)c1 ZINC001462835958 1070584833 /nfs/dbraw/zinc/58/48/33/1070584833.db2.gz PQBAXDFJDZLWBP-GFCCVEGCSA-N -1 3 392.260 3.803 20 0 GHADHM COc1ccc(C[C@H]2CCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001294510767 1044673918 /nfs/dbraw/zinc/67/39/18/1044673918.db2.gz GWOFTFYRDYGJNY-CQSZACIVSA-N -1 3 382.847 3.647 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1ccc(F)cc1Cl ZINC001258917106 1044874649 /nfs/dbraw/zinc/87/46/49/1044874649.db2.gz NQYWUFCGFUJPCE-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc3c(c1)CCCCC3=O)C(=O)C2 ZINC001258973509 1044913415 /nfs/dbraw/zinc/91/34/15/1044913415.db2.gz HUONCCNBLOVWNY-BTYIYWSLSA-N -1 3 389.517 3.733 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c(F)cccc1N1CCCC1)C(=O)C2 ZINC001258974284 1044913878 /nfs/dbraw/zinc/91/38/78/1044913878.db2.gz YTQBPLPLCWLSDN-XOBRGWDASA-N -1 3 394.512 3.563 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c(F)c(F)c(F)c(F)c1F)C(=O)C2 ZINC001258985706 1044918103 /nfs/dbraw/zinc/91/81/03/1044918103.db2.gz AAGHJOZHCSLPHN-VGDKGRGNSA-N -1 3 397.365 3.519 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(Br)s1 ZINC001259059706 1044941843 /nfs/dbraw/zinc/94/18/43/1044941843.db2.gz WZWMPYQAERPBCO-GHMZBOCLSA-N -1 3 392.727 3.998 20 0 GHADHM CC1(C)C[C@H](C2([N-]S(=O)(=O)c3ccc(Br)s3)CC2)CCO1 ZINC001259062971 1044943896 /nfs/dbraw/zinc/94/38/96/1044943896.db2.gz LVJQLUJMKFIJII-SNVBAGLBSA-N -1 3 394.356 3.527 20 0 GHADHM Cc1cc(Br)cc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC001259071443 1044947079 /nfs/dbraw/zinc/94/70/79/1044947079.db2.gz VVXRPFLVMMDTMA-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1cccc2ccccc21 ZINC001259104162 1044963798 /nfs/dbraw/zinc/96/37/98/1044963798.db2.gz IABOQYXHMFGSGD-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@@H]2CCCO2)cc1C ZINC001259168391 1044989410 /nfs/dbraw/zinc/98/94/10/1044989410.db2.gz ZSBATHRCPZUOOB-HNNXBMFYSA-N -1 3 379.453 3.801 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)cc1 ZINC001259177227 1044993616 /nfs/dbraw/zinc/99/36/16/1044993616.db2.gz KUYXXXNSPKSFTL-UHFFFAOYSA-N -1 3 395.305 3.867 20 0 GHADHM O=C(N[C@H](CO)c1cccc(F)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001295512703 1045039505 /nfs/dbraw/zinc/03/95/05/1045039505.db2.gz ABAGPCNRCAPRHY-OAQYLSRUSA-N -1 3 379.431 3.780 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1cnc(Br)c(Cl)c1 ZINC001259248797 1045041197 /nfs/dbraw/zinc/04/11/97/1045041197.db2.gz PZPRHAVSLLPOAO-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CCc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259357548 1045098520 /nfs/dbraw/zinc/09/85/20/1045098520.db2.gz LCZDEUBLBNSHRQ-UHFFFAOYSA-N -1 3 382.279 3.747 20 0 GHADHM O=C1CCCCc2c([N-]S(=O)(=O)c3ccc(-n4cccn4)cc3)cccc21 ZINC001259370477 1045105641 /nfs/dbraw/zinc/10/56/41/1045105641.db2.gz KFRBCLXJVZRPQR-UHFFFAOYSA-N -1 3 381.457 3.582 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC2CCC2)c1)c1cc(F)c(F)c(F)c1 ZINC001259503475 1045207921 /nfs/dbraw/zinc/20/79/21/1045207921.db2.gz AJLBKHCQAKSZAU-UHFFFAOYSA-N -1 3 385.407 3.761 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC001259505408 1045208957 /nfs/dbraw/zinc/20/89/57/1045208957.db2.gz KYBIOHGNSOKYCF-SFHVURJKSA-N -1 3 399.434 3.940 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1 ZINC001259513439 1045215758 /nfs/dbraw/zinc/21/57/58/1045215758.db2.gz MCLDOHPKUOCXRP-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1)N1CCCCC1 ZINC001259543221 1045226668 /nfs/dbraw/zinc/22/66/68/1045226668.db2.gz KEAOAISCJJMHKB-UHFFFAOYSA-N -1 3 395.431 3.783 20 0 GHADHM C[S@@](=O)Cc1ccccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001296178846 1045274718 /nfs/dbraw/zinc/27/47/18/1045274718.db2.gz NWZHMRRPVSIDDA-MUUNZHRXSA-N -1 3 396.468 3.503 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc(Br)c(F)c1F ZINC001259738085 1045280355 /nfs/dbraw/zinc/28/03/55/1045280355.db2.gz OOOQKMDTXBGDSZ-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1cc(F)c(Br)cc1F ZINC001259753926 1045287306 /nfs/dbraw/zinc/28/73/06/1045287306.db2.gz YKNKNFZHYMDLOJ-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM O=C(c1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)cc1)C(F)(F)F ZINC001259760153 1045289653 /nfs/dbraw/zinc/28/96/53/1045289653.db2.gz LJTJJUKWNXFVIK-UHFFFAOYSA-N -1 3 375.343 3.555 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(I)cc1[O-] ZINC001296284211 1045295387 /nfs/dbraw/zinc/29/53/87/1045295387.db2.gz ZMIQVSOVDILMEH-IINYFYTJSA-N -1 3 389.233 3.531 20 0 GHADHM Cn1ccc2ccc(C(=O)Nc3ccc(I)cc3[O-])cc21 ZINC001296291502 1045296655 /nfs/dbraw/zinc/29/66/55/1045296655.db2.gz 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ZINC001260316169 1045456554 /nfs/dbraw/zinc/45/65/54/1045456554.db2.gz RBFPYXCBYOEJCX-UHFFFAOYSA-N -1 3 398.724 3.637 20 0 GHADHM O=S(=O)([N-]Cc1cnccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC001260366545 1045476991 /nfs/dbraw/zinc/47/69/91/1045476991.db2.gz XQMKPSDRROAGKA-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]Cc1sccc1Cl)c1ccc(Br)cc1F ZINC001260380440 1045483893 /nfs/dbraw/zinc/48/38/93/1045483893.db2.gz JYYZYMZTKNKFID-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1ccc(Br)cc1F ZINC001260381677 1045484841 /nfs/dbraw/zinc/48/48/41/1045484841.db2.gz MACGDVXZYSTHAW-GFCCVEGCSA-N -1 3 384.270 3.597 20 0 GHADHM Cc1nccn1-c1ccccc1CNC(=O)c1cc([O-])cc(Br)c1 ZINC001297244111 1045485960 /nfs/dbraw/zinc/48/59/60/1045485960.db2.gz NUXWATFQERVUDU-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)cnc1Cl ZINC001260458201 1045500882 /nfs/dbraw/zinc/50/08/82/1045500882.db2.gz JIHUFRYMSRFHJP-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC[C@H](C)c1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)[nH]1 ZINC001297450421 1045527011 /nfs/dbraw/zinc/52/70/11/1045527011.db2.gz FEVKTWREOHRYJJ-VHSXEESVSA-N -1 3 386.830 3.949 20 0 GHADHM CN1[C@@H]2CC[C@H]1C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C2 ZINC001260558901 1045545096 /nfs/dbraw/zinc/54/50/96/1045545096.db2.gz CPIKIBSCPRIPJZ-JGPRNRPPSA-N -1 3 383.728 3.550 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)Nc2cc(=O)[n-]n2C2CCCC2)cc1 ZINC001260573123 1045559168 /nfs/dbraw/zinc/55/91/68/1045559168.db2.gz OGMBHCIYUAPNDG-UHFFFAOYSA-N -1 3 379.482 3.684 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2COC2)cc1 ZINC001260577748 1045566243 /nfs/dbraw/zinc/56/62/43/1045566243.db2.gz YJRFOWUZZNQPSB-UHFFFAOYSA-N -1 3 395.452 3.583 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-]c1ccc(-c2nc3ncccc3o2)cc1 ZINC001260627979 1045578815 /nfs/dbraw/zinc/57/88/15/1045578815.db2.gz YIHBNYOIVIVLPV-UHFFFAOYSA-N -1 3 383.404 3.971 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)cc1F ZINC001260657378 1045596112 /nfs/dbraw/zinc/59/61/12/1045596112.db2.gz WOBVQWAYEOLNTR-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)C(F)F)cc2)cc1F ZINC001260661934 1045597195 /nfs/dbraw/zinc/59/71/95/1045597195.db2.gz PWPDDGVBWBUWTM-UHFFFAOYSA-N -1 3 397.321 3.872 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ncccc2C(F)(F)F)C2CC2)s1 ZINC001260687124 1045607390 /nfs/dbraw/zinc/60/73/90/1045607390.db2.gz HDVSUSKIRRJSSP-CYBMUJFWSA-N -1 3 376.425 3.900 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)C(F)(F)F)ccc1F ZINC001260761139 1045642693 /nfs/dbraw/zinc/64/26/93/1045642693.db2.gz UTOBQNCMDKXOCC-UHFFFAOYSA-N -1 3 379.306 3.819 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(C)nccc1Br ZINC001260765561 1045647392 /nfs/dbraw/zinc/64/73/92/1045647392.db2.gz OCKCIXQWLVRRKR-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC001260888932 1045743004 /nfs/dbraw/zinc/74/30/04/1045743004.db2.gz SVZLEDUOGNABEA-KOLCDFICSA-N -1 3 384.217 3.545 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1cc(C(F)(F)F)ccc1F ZINC000488674205 1045821618 /nfs/dbraw/zinc/82/16/18/1045821618.db2.gz PYHDCQMXOADEKS-AWEZNQCLSA-N -1 3 377.334 3.949 20 0 GHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC001261011060 1045829631 /nfs/dbraw/zinc/82/96/31/1045829631.db2.gz FIWZLYWIRIMRHD-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM CCOC(=O)C1=C([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC1 ZINC001261012613 1045834576 /nfs/dbraw/zinc/83/45/76/1045834576.db2.gz NCQUKXJGCARPAP-UHFFFAOYSA-N -1 3 395.374 3.514 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(F)c1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC001261014195 1045835598 /nfs/dbraw/zinc/83/55/98/1045835598.db2.gz RWARNZMGGZWUAU-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)nnc1Cl)c1ccc(F)c(C(F)(F)F)c1 ZINC001261014780 1045838553 /nfs/dbraw/zinc/83/85/53/1045838553.db2.gz UEZAVXQHTRSUFT-UHFFFAOYSA-N -1 3 390.145 3.742 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC001298512923 1045844663 /nfs/dbraw/zinc/84/46/63/1045844663.db2.gz FHIMSLLSIADIBZ-UHFFFAOYSA-N -1 3 389.249 3.945 20 0 GHADHM CC1(C)CN(C(=O)c2cc([O-])cc(Br)c2)C[C@](C)(C(F)(F)F)O1 ZINC001298533925 1045858555 /nfs/dbraw/zinc/85/85/55/1045858555.db2.gz BURJJWQIQUSOCG-CQSZACIVSA-N -1 3 396.203 3.727 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1F ZINC001261048307 1045867405 /nfs/dbraw/zinc/86/74/05/1045867405.db2.gz UJQAPVAXOUNGPW-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC)c1ccc(F)cc1 ZINC001261061820 1045881288 /nfs/dbraw/zinc/88/12/88/1045881288.db2.gz NKAQDDTVCMVXLH-NSHDSACASA-N -1 3 391.873 3.757 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(C)cc21 ZINC001261065984 1045885164 /nfs/dbraw/zinc/88/51/64/1045885164.db2.gz GAKYXFPDGJIXRB-CYBMUJFWSA-N -1 3 399.921 3.852 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1ccc(C(F)(F)F)nc1Cl ZINC001261252241 1045941275 /nfs/dbraw/zinc/94/12/75/1045941275.db2.gz CWLQTBCWFJLROP-NSHDSACASA-N -1 3 394.777 3.859 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cnc(-c2ccccc2Cl)s1 ZINC001298994357 1045994399 /nfs/dbraw/zinc/99/43/99/1045994399.db2.gz RDXCIEBEKRBXEO-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cnc(-c2ccccc2Cl)s1 ZINC001298994357 1045994404 /nfs/dbraw/zinc/99/44/04/1045994404.db2.gz RDXCIEBEKRBXEO-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)[n-]n1 ZINC001299813565 1046050606 /nfs/dbraw/zinc/05/06/06/1046050606.db2.gz OIMQNYPCVQMHJB-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)n[n-]1 ZINC001299813565 1046050620 /nfs/dbraw/zinc/05/06/20/1046050620.db2.gz OIMQNYPCVQMHJB-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](F)C2)c2ccccc21)C(F)(F)F ZINC001262023522 1046158008 /nfs/dbraw/zinc/15/80/08/1046158008.db2.gz ABKGTZAKXLNUOV-MCIONIFRSA-N -1 3 386.389 3.714 20 0 GHADHM CN1Cc2ccccc2[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1=O ZINC001300994510 1046280551 /nfs/dbraw/zinc/28/05/51/1046280551.db2.gz IIBYEXDURAOFOI-NRFANRHFSA-N -1 3 388.423 3.628 20 0 GHADHM CN1Cc2ccccc2[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1=O ZINC001300994512 1046281095 /nfs/dbraw/zinc/28/10/95/1046281095.db2.gz IIBYEXDURAOFOI-OAQYLSRUSA-N -1 3 388.423 3.628 20 0 GHADHM CC1(C)C[C@@]1(CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1 ZINC001301311209 1046475076 /nfs/dbraw/zinc/47/50/76/1046475076.db2.gz XRXSPOXRJSWNKY-JOCHJYFZSA-N -1 3 382.410 3.904 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Br)cc2C)c1 ZINC001463112775 1070805855 /nfs/dbraw/zinc/80/58/55/1070805855.db2.gz PUSWVKSBSDFTIG-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)C2CCC=CCC2)c2ccccc21)C(F)(F)F ZINC001302618318 1047008415 /nfs/dbraw/zinc/00/84/15/1047008415.db2.gz QOEJVMNUINSKFA-OAHLLOKOSA-N -1 3 380.410 3.932 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1c2ncsc2ccc1Cl ZINC001463146766 1070851439 /nfs/dbraw/zinc/85/14/39/1070851439.db2.gz QLRFIWMCIPKHCM-ZDUSSCGKSA-N -1 3 388.942 3.559 20 0 GHADHM CCOc1nnc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)[n-]1 ZINC001302690700 1047044598 /nfs/dbraw/zinc/04/45/98/1047044598.db2.gz JIZZIIQJBBOGGM-UHFFFAOYSA-N -1 3 386.839 3.617 20 0 GHADHM CCOc1nc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)n[n-]1 ZINC001302690700 1047044616 /nfs/dbraw/zinc/04/46/16/1047044616.db2.gz JIZZIIQJBBOGGM-UHFFFAOYSA-N -1 3 386.839 3.617 20 0 GHADHM CCOc1n[n-]c(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC001302690700 1047044629 /nfs/dbraw/zinc/04/46/29/1047044629.db2.gz JIZZIIQJBBOGGM-UHFFFAOYSA-N -1 3 386.839 3.617 20 0 GHADHM COC(=O)c1c(C)sc(C)c1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC001302884736 1047166882 /nfs/dbraw/zinc/16/68/82/1047166882.db2.gz PEVPYWPJJIFDTB-UHFFFAOYSA-N -1 3 388.420 3.693 20 0 GHADHM CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1OCCC ZINC001303519661 1047411168 /nfs/dbraw/zinc/41/11/68/1047411168.db2.gz WLIIYHBKQQTHHD-UHFFFAOYSA-N -1 3 385.464 3.567 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1c(Cl)nccc1C(F)(F)F ZINC001463201307 1070907271 /nfs/dbraw/zinc/90/72/71/1070907271.db2.gz LISHNPYAIKDWKI-UHFFFAOYSA-N -1 3 399.735 3.854 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC001303654634 1047466599 /nfs/dbraw/zinc/46/65/99/1047466599.db2.gz ZGHHVBXYNYJMKH-GDBMZVCRSA-N -1 3 376.497 3.578 20 0 GHADHM CCc1cc(C(=O)OC)ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001303792244 1047513922 /nfs/dbraw/zinc/51/39/22/1047513922.db2.gz HOQHZFAHZOWUDF-UHFFFAOYSA-N -1 3 378.222 3.756 20 0 GHADHM COC(=O)c1cc(NC(=O)CCCCCc2cccs2)c([O-])c(OC)c1 ZINC001304505801 1047695747 /nfs/dbraw/zinc/69/57/47/1047695747.db2.gz RHQZDZBDBOWGNL-UHFFFAOYSA-N -1 3 377.462 3.991 20 0 GHADHM Cc1ncsc1CN1C[C@@H]2CCN(Cc3ccc(Cl)cc3C(=O)[O-])[C@@H]2C1 ZINC001279110081 1047722481 /nfs/dbraw/zinc/72/24/81/1047722481.db2.gz OMQDHUXWQISKIB-WMLDXEAASA-N -1 3 391.924 3.509 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304814489 1047779976 /nfs/dbraw/zinc/77/99/76/1047779976.db2.gz NXBKAVINHPLNPC-JOCQHMNTSA-N -1 3 384.867 3.784 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC1CCC(C(C)(C)C)CC1 ZINC001463288160 1070964798 /nfs/dbraw/zinc/96/47/98/1070964798.db2.gz RVMVHTVUWBARAG-UHFFFAOYSA-N -1 3 385.501 3.743 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3Br)nc21 ZINC001463313364 1070980920 /nfs/dbraw/zinc/98/09/20/1070980920.db2.gz GWJGBNLOZJLULC-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CN(C)c1nccc2c1CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC001305717852 1048229039 /nfs/dbraw/zinc/22/90/39/1048229039.db2.gz BKJILRDIMZRIBJ-UHFFFAOYSA-N -1 3 387.483 3.643 20 0 GHADHM CC=C(C=CC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1)CC ZINC001304984830 1048238877 /nfs/dbraw/zinc/23/88/77/1048238877.db2.gz BIIUFIFDTBHYHF-UPRYYGGVSA-N -1 3 392.253 3.963 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)c(C(=O)CC)c3)nc21 ZINC001463319149 1070984520 /nfs/dbraw/zinc/98/45/20/1070984520.db2.gz ZNSJDFULELZUSB-UHFFFAOYSA-N -1 3 383.379 3.724 20 0 GHADHM Cc1cccc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3F)n2)c1[O-] ZINC001306521679 1048713138 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393.352 3.565 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[N-]OCc2cccnc2)c2ccccc21 ZINC001335274396 1052062733 /nfs/dbraw/zinc/06/27/33/1052062733.db2.gz QAIDDWPNPCTMPW-KRWDZBQOSA-N -1 3 397.475 3.949 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cnc(-c2cccnc2)s1 ZINC001336924784 1052364939 /nfs/dbraw/zinc/36/49/39/1052364939.db2.gz XNCJPABYVWJGFB-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1coc2ccc(NC(=O)NCc3c(F)cccc3[N-]S(C)(=O)=O)cc12 ZINC001342972159 1053468784 /nfs/dbraw/zinc/46/87/84/1053468784.db2.gz QNVDTARKSNIVTP-UHFFFAOYSA-N -1 3 391.424 3.574 20 0 GHADHM CCC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)C1 ZINC001343544101 1053861107 /nfs/dbraw/zinc/86/11/07/1053861107.db2.gz OFSVKGGSNQQRHZ-OAHLLOKOSA-N -1 3 398.536 3.875 20 0 GHADHM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC001344474583 1054505469 /nfs/dbraw/zinc/50/54/69/1054505469.db2.gz XKYKMHRHOUOCKE-UZUQRXQVSA-N -1 3 398.478 3.555 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001318566372 1054722014 /nfs/dbraw/zinc/72/20/14/1054722014.db2.gz UQRMDWRVURFQJU-UHFFFAOYSA-N -1 3 377.444 3.949 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1cccs1 ZINC001344954862 1054820449 /nfs/dbraw/zinc/82/04/49/1054820449.db2.gz CFRLVWDQUSUGOF-JTQLQIEISA-N -1 3 399.398 3.527 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2CC2CC2)cc(=O)[n-]1 ZINC001345804480 1055266459 /nfs/dbraw/zinc/26/64/59/1055266459.db2.gz GAXXOHCPVCVXDU-INIZCTEOSA-N -1 3 382.493 3.562 20 0 GHADHM Cc1nc2scc(-c3ccccc3)c2c(N2CCc3nc[n-]c(=O)c3C2)n1 ZINC001320687788 1055928500 /nfs/dbraw/zinc/92/85/00/1055928500.db2.gz VBZBVBSFCGTAFW-UHFFFAOYSA-N -1 3 375.457 3.725 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Cn2cccc2)cc1 ZINC001320879259 1055996586 /nfs/dbraw/zinc/99/65/86/1055996586.db2.gz PBKNJJWVSUNNRG-UHFFFAOYSA-N -1 3 375.384 3.649 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)s1 ZINC001354053260 1056292251 /nfs/dbraw/zinc/29/22/51/1056292251.db2.gz QOILIJAPMAIXKH-UHFFFAOYSA-N -1 3 392.435 3.847 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ncc(C(F)(F)F)cc3Cl)C2)n1 ZINC001354254797 1056475446 /nfs/dbraw/zinc/47/54/46/1056475446.db2.gz CYXPVHWGFQQPTA-LLVKDONJSA-N -1 3 387.793 3.639 20 0 GHADHM Cc1nc(-c2nnc(N3CCCCCCC3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001354344089 1056547105 /nfs/dbraw/zinc/54/71/05/1056547105.db2.gz UDHMSPOXYHWQTI-UHFFFAOYSA-N -1 3 378.480 3.568 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3CCOC4)c2)n1 ZINC001354533593 1056751942 /nfs/dbraw/zinc/75/19/42/1056751942.db2.gz PFWWLSJSALTGPN-UHFFFAOYSA-N -1 3 375.428 3.737 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001323115718 1056924348 /nfs/dbraw/zinc/92/43/48/1056924348.db2.gz UEXFQTAYMOYPKP-JOCHJYFZSA-N -1 3 387.483 3.792 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c(Cl)c1 ZINC001323959956 1057043912 /nfs/dbraw/zinc/04/39/12/1057043912.db2.gz ACBORCBYNRJZRR-UHFFFAOYSA-N -1 3 396.774 3.583 20 0 GHADHM Cc1ccccc1-c1nnc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)o1 ZINC001324033006 1057058549 /nfs/dbraw/zinc/05/85/49/1057058549.db2.gz NSDUQEIXCBQZRQ-UHFFFAOYSA-N -1 3 375.425 3.538 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)nc1 ZINC001355850492 1057292639 /nfs/dbraw/zinc/29/26/39/1057292639.db2.gz JPEHQVBDTMPFFA-UHFFFAOYSA-N -1 3 388.474 3.869 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3scc4c3OCCO4)nc(=O)c2c1C ZINC000848816593 1057334884 /nfs/dbraw/zinc/33/48/84/1057334884.db2.gz HTQLIBGFIXBZHW-MRVPVSSYSA-N -1 3 392.458 3.764 20 0 GHADHM CCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCC1 ZINC001356280580 1057458675 /nfs/dbraw/zinc/45/86/75/1057458675.db2.gz NBQBIASTBDLABE-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1nccs1 ZINC001326504694 1057499177 /nfs/dbraw/zinc/49/91/77/1057499177.db2.gz SBHXLJVQZFZXFQ-LBPRGKRZSA-N -1 3 399.847 3.814 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2c(F)cccc2Cl)ccc1F ZINC001356593750 1057563798 /nfs/dbraw/zinc/56/37/98/1057563798.db2.gz JCHOTDNYRCZBOC-UHFFFAOYSA-N -1 3 389.807 3.524 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001439511036 1058202192 /nfs/dbraw/zinc/20/21/92/1058202192.db2.gz NCGKKLJGMKVALG-UHFFFAOYSA-N -1 3 381.779 3.738 20 0 GHADHM CCOC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC001337781889 1058261615 /nfs/dbraw/zinc/26/16/15/1058261615.db2.gz RMFVPSOOLAGFLK-UHFFFAOYSA-N -1 3 399.818 3.513 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC001440869873 1058643970 /nfs/dbraw/zinc/64/39/70/1058643970.db2.gz LBIVVHIQGRGWKA-UHFFFAOYSA-N -1 3 377.356 3.562 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001440964104 1058666158 /nfs/dbraw/zinc/66/61/58/1058666158.db2.gz ARCUVWUWKXJOAH-UHFFFAOYSA-N -1 3 394.452 3.790 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4[nH]cnc4c3F)c2)n1 ZINC001441557996 1058815242 /nfs/dbraw/zinc/81/52/42/1058815242.db2.gz IWYRXXOQBNWOBN-UHFFFAOYSA-N -1 3 377.379 3.679 20 0 GHADHM Cc1cc(NCc2c(F)cccc2[N-]S(C)(=O)=O)c2ccc(F)c(F)c2n1 ZINC001338985869 1058914095 /nfs/dbraw/zinc/91/40/95/1058914095.db2.gz WWGUGTGMTNGJDG-UHFFFAOYSA-N -1 3 395.406 3.944 20 0 GHADHM Cc1ccc(Cn2nccc2NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)o1 ZINC001443497115 1059140034 /nfs/dbraw/zinc/14/00/34/1059140034.db2.gz XLQKKIPXPJKNCY-UHFFFAOYSA-N -1 3 382.807 3.580 20 0 GHADHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001444273586 1059297535 /nfs/dbraw/zinc/29/75/35/1059297535.db2.gz KJFODPOUIRQUIY-FZKQIMNGSA-N -1 3 397.272 3.652 20 0 GHADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444632121 1059353547 /nfs/dbraw/zinc/35/35/47/1059353547.db2.gz YLIAVTCWPIETHM-WFASDCNBSA-N -1 3 390.505 3.982 20 0 GHADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)N1CCc2ccccc21 ZINC001445907743 1059652641 /nfs/dbraw/zinc/65/26/41/1059652641.db2.gz DOGPDOHCTLFZRF-CYBMUJFWSA-N -1 3 389.293 3.612 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446088112 1059697420 /nfs/dbraw/zinc/69/74/20/1059697420.db2.gz VEQYEIMRIIBSTQ-FQEVSTJZSA-N -1 3 385.460 3.898 20 0 GHADHM C[C@@H]1CC(=O)Nc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2N1 ZINC001447279720 1059943908 /nfs/dbraw/zinc/94/39/08/1059943908.db2.gz UYFSPEPWHSHXTJ-SECBINFHSA-N -1 3 390.237 3.550 20 0 GHADHM CCc1ccc(C(=O)N(C)Cc2cc(OC)ccc2Br)c([O-])c1 ZINC001447723586 1060008900 /nfs/dbraw/zinc/00/89/00/1060008900.db2.gz XROVSZUXJMMGSC-UHFFFAOYSA-N -1 3 378.266 3.998 20 0 GHADHM Cc1cccc(OCCCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1C ZINC001448891039 1060292569 /nfs/dbraw/zinc/29/25/69/1060292569.db2.gz USPAAFKYVFJDAZ-UHFFFAOYSA-N -1 3 384.863 3.997 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2c(cc1Cl)NC(=O)C2 ZINC001341213952 1060502913 /nfs/dbraw/zinc/50/29/13/1060502913.db2.gz BWIQNNNBUASPDI-UHFFFAOYSA-N -1 3 381.613 3.555 20 0 GHADHM CC[C@@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001341426642 1060667263 /nfs/dbraw/zinc/66/72/63/1060667263.db2.gz XEMITBUOTMAOCS-QGZVFWFLSA-N -1 3 378.480 3.566 20 0 GHADHM CC(C)[C@H](CNC(=O)c1cc2sccc2c([O-])c1)ONC(=O)OC(C)(C)C ZINC001451808092 1060841247 /nfs/dbraw/zinc/84/12/47/1060841247.db2.gz XDPVDMGMXYEDQP-HNNXBMFYSA-N -1 3 394.493 3.818 20 0 GHADHM C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001451874699 1060855068 /nfs/dbraw/zinc/85/50/68/1060855068.db2.gz BUWJFZXKJDYMQQ-LIRRHRJNSA-N -1 3 379.472 3.823 20 0 GHADHM C[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001451873926 1060855619 /nfs/dbraw/zinc/85/56/19/1060855619.db2.gz BUWJFZXKJDYMQQ-KUHUBIRLSA-N -1 3 379.472 3.823 20 0 GHADHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)c(=O)n(C2CCCCC2)n1C ZINC001452734342 1060996727 /nfs/dbraw/zinc/99/67/27/1060996727.db2.gz RADYSJSOIZDBCO-UHFFFAOYSA-N -1 3 389.471 3.807 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC001453925899 1061229307 /nfs/dbraw/zinc/22/93/07/1061229307.db2.gz FSHIPMOJHHENPF-MRXNPFEDSA-N -1 3 389.249 3.700 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1nncc2ccccc21 ZINC001361072411 1061573110 /nfs/dbraw/zinc/57/31/10/1061573110.db2.gz BQOMZXBCZUBFDU-UHFFFAOYSA-N -1 3 381.848 3.978 20 0 GHADHM Cc1cccc(CO[N-]C(=O)CCc2cc(Cl)ccc2Br)n1 ZINC001454240026 1061663898 /nfs/dbraw/zinc/66/38/98/1061663898.db2.gz KAVFXZFITDXOQT-UHFFFAOYSA-N -1 3 383.673 3.987 20 0 GHADHM CC(C)c1oncc1[N-]C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001347294363 1062276078 /nfs/dbraw/zinc/27/60/78/1062276078.db2.gz YWWGJIHNZGOUIV-UHFFFAOYSA-N -1 3 380.235 3.997 20 0 GHADHM O=C([N-][C@@H]1CCc2ccc(F)cc21)C(F)(F)c1ncccc1Br ZINC001435099517 1062292306 /nfs/dbraw/zinc/29/23/06/1062292306.db2.gz FUQAXVFRIRBUHL-CYBMUJFWSA-N -1 3 385.183 3.879 20 0 GHADHM CC(=O)c1cc(F)c([O-])c(NC(=O)C2(C)CCN(Cc3ccccc3)CC2)c1 ZINC001456032775 1062421847 /nfs/dbraw/zinc/42/18/47/1062421847.db2.gz ANSYRZKDFIXRPK-UHFFFAOYSA-N -1 3 384.451 3.975 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)[n-]n1 ZINC001456332621 1062618724 /nfs/dbraw/zinc/61/87/24/1062618724.db2.gz LVCZYJGJDZIVEO-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC001456332621 1062618732 /nfs/dbraw/zinc/61/87/32/1062618732.db2.gz LVCZYJGJDZIVEO-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)[n-]n1 ZINC001456332907 1062619920 /nfs/dbraw/zinc/61/99/20/1062619920.db2.gz NAIAGXBAYJXMCS-UHFFFAOYSA-N -1 3 397.406 3.945 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)n[n-]1 ZINC001456332907 1062619931 /nfs/dbraw/zinc/61/99/31/1062619931.db2.gz NAIAGXBAYJXMCS-UHFFFAOYSA-N -1 3 397.406 3.945 20 0 GHADHM C[C@H](NC(=O)c1ccccc1C(=O)c1cccs1)c1nc(C(F)(F)F)n[n-]1 ZINC001456388669 1062654957 /nfs/dbraw/zinc/65/49/57/1062654957.db2.gz UMZTVBQQTLVPIX-VIFPVBQESA-N -1 3 394.378 3.607 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cnn3c2nc(C)cc3C(F)F)s1 ZINC001347956811 1062802882 /nfs/dbraw/zinc/80/28/82/1062802882.db2.gz OZNXVSPAWIKLAX-UHFFFAOYSA-N -1 3 380.424 3.812 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1conc1C1CCCC1 ZINC001456802915 1062869738 /nfs/dbraw/zinc/86/97/38/1062869738.db2.gz ZJWNPZLQURHEQJ-UHFFFAOYSA-N -1 3 380.404 3.665 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1conc1C1CCCC1 ZINC001456802915 1062869773 /nfs/dbraw/zinc/86/97/73/1062869773.db2.gz ZJWNPZLQURHEQJ-UHFFFAOYSA-N -1 3 380.404 3.665 20 0 GHADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1-n1cccc1 ZINC001456933189 1062923156 /nfs/dbraw/zinc/92/31/56/1062923156.db2.gz GBZRTNYPUSCOGA-SAABIXHNSA-N -1 3 376.460 3.738 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(NCc2noc3c2CCCC3)cc1 ZINC001348171410 1062944162 /nfs/dbraw/zinc/94/41/62/1062944162.db2.gz GRDPSDXNHCZACE-UHFFFAOYSA-N -1 3 383.473 3.966 20 0 GHADHM COc1cc(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)ccc1C ZINC001457163071 1062994452 /nfs/dbraw/zinc/99/44/52/1062994452.db2.gz QNSHUORDCWGQQW-UHFFFAOYSA-N -1 3 382.489 3.904 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](c4ccccc4)CC3)nc2)n1 ZINC001348519709 1063163947 /nfs/dbraw/zinc/16/39/47/1063163947.db2.gz KXQFYXYUHICGLO-IBGZPJMESA-N -1 3 376.460 3.775 20 0 GHADHM O=C([N-]c1ncccc1C(=O)c1ccc(F)cc1)c1cc(-c2ccccn2)no1 ZINC001436173948 1063262681 /nfs/dbraw/zinc/26/26/81/1063262681.db2.gz CIECTHZJLUQOPB-UHFFFAOYSA-N -1 3 388.358 3.754 20 0 GHADHM CCC[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001436196046 1063280996 /nfs/dbraw/zinc/28/09/96/1063280996.db2.gz VRNMUYBXUZRKGZ-MRXNPFEDSA-N -1 3 395.352 3.604 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cc([C@H](O)c4ccccn4)ccc3C)c(=O)c2c1 ZINC001457823522 1063387848 /nfs/dbraw/zinc/38/78/48/1063387848.db2.gz SRZYYEDANLCOAE-QFIPXVFZSA-N -1 3 399.450 3.874 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cc([C@@H](O)c4ccccn4)ccc3C)c(=O)c2c1 ZINC001457823517 1063387934 /nfs/dbraw/zinc/38/79/34/1063387934.db2.gz SRZYYEDANLCOAE-JOCHJYFZSA-N -1 3 399.450 3.874 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c([O-])c1 ZINC001457907337 1063437643 /nfs/dbraw/zinc/43/76/43/1063437643.db2.gz NNDBEDDKAFQHMH-HNNXBMFYSA-N -1 3 378.494 3.614 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001436578428 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392.459 3.620 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CN(Cc2ccccc2)c2ccccc2)n[n-]1 ZINC001472090366 1073330248 /nfs/dbraw/zinc/33/02/48/1073330248.db2.gz AYTPTCSMICVMGQ-UHFFFAOYSA-N -1 3 392.459 3.620 20 0 GHADHM C[C@H](NC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109004 1073336112 /nfs/dbraw/zinc/33/61/12/1073336112.db2.gz DVUBSZDRAIOZFD-SMDDNHRTSA-N -1 3 398.429 3.812 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)C(=O)c1ccc(Cl)cc1 ZINC001472109664 1073337026 /nfs/dbraw/zinc/33/70/26/1073337026.db2.gz TWJSXVJMFPDPHX-IUCAKERBSA-N -1 3 388.777 3.563 20 0 GHADHM Cc1cc(C)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1Br ZINC001472111178 1073337940 /nfs/dbraw/zinc/33/79/40/1073337940.db2.gz NSVRGCPWCUTMKX-QMMMGPOBSA-N -1 3 391.191 3.694 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241983 1073380104 /nfs/dbraw/zinc/38/01/04/1073380104.db2.gz ZAYOKPPCLWTEFI-UHFFFAOYSA-N -1 3 375.384 3.694 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241983 1073380106 /nfs/dbraw/zinc/38/01/06/1073380106.db2.gz ZAYOKPPCLWTEFI-UHFFFAOYSA-N -1 3 375.384 3.694 20 0 GHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c(C)n1CC(F)(F)F ZINC001472288893 1073401754 /nfs/dbraw/zinc/40/17/54/1073401754.db2.gz SKRPMBHRCPXJSK-HDJSIYSDSA-N -1 3 396.413 3.619 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001472307637 1073414076 /nfs/dbraw/zinc/41/40/76/1073414076.db2.gz PTZXGFJSCNSQMU-BVOGOJNSSA-N -1 3 378.472 3.558 20 0 GHADHM CC[S@@](=O)(=NC(=O)c1cc(Br)n[n-]1)c1cccc(Cl)c1 ZINC001472338744 1073433052 /nfs/dbraw/zinc/43/30/52/1073433052.db2.gz YJXNVPWVFQIYMR-FQEVSTJZSA-N -1 3 376.663 3.513 20 0 GHADHM CC[S@@](=O)(=NC(=O)c1cc(Br)[n-]n1)c1cccc(Cl)c1 ZINC001472338744 1073433054 /nfs/dbraw/zinc/43/30/54/1073433054.db2.gz YJXNVPWVFQIYMR-FQEVSTJZSA-N -1 3 376.663 3.513 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3cc([O-])ccc3Cl)CC2)C1 ZINC001472442176 1073492230 /nfs/dbraw/zinc/49/22/30/1073492230.db2.gz VBTNZTCJMPMJDA-LBPRGKRZSA-N -1 3 380.872 3.565 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C3=Cc4ccccc4O[C@@H]3C(F)(F)F)n[n-]2)o1 ZINC001472527047 1073532427 /nfs/dbraw/zinc/53/24/27/1073532427.db2.gz ZEFYQTGBCSJJPW-AWEZNQCLSA-N -1 3 390.321 3.719 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001472531253 1073533905 /nfs/dbraw/zinc/53/39/05/1073533905.db2.gz MNHUIYZRDGEMJP-CYBMUJFWSA-N -1 3 388.398 3.867 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(CCc2cccc3c2OC(F)(F)O3)CC1 ZINC001473245377 1073885943 /nfs/dbraw/zinc/88/59/43/1073885943.db2.gz PLYCRXGFSVEULJ-UHFFFAOYSA-N -1 3 389.398 3.851 20 0 GHADHM [O-]c1cc(Br)cnc1CN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001474717796 1074531912 /nfs/dbraw/zinc/53/19/12/1074531912.db2.gz SLWOAVZUZLHRQW-QZTJIDSGSA-N -1 3 391.309 3.508 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)c1cc(F)c(Cl)cc1Cl ZINC001474776195 1074555804 /nfs/dbraw/zinc/55/58/04/1074555804.db2.gz XXZPGQZVYVHDML-ZETCQYMHSA-N -1 3 394.255 3.574 20 0 GHADHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001474968806 1074658447 /nfs/dbraw/zinc/65/84/47/1074658447.db2.gz GJWWRZVXWGGATI-NSHDSACASA-N -1 3 383.926 3.588 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)sc1Br ZINC001474984546 1074667496 /nfs/dbraw/zinc/66/74/96/1074667496.db2.gz BLDFTOOUVZTKLK-UHFFFAOYSA-N -1 3 390.299 3.926 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2OC(C)(C)C)cc1F ZINC001475024408 1074691014 /nfs/dbraw/zinc/69/10/14/1074691014.db2.gz NVUVIDCBVHNPMG-UHFFFAOYSA-N -1 3 385.432 3.629 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(CC)cc2)c(F)c1 ZINC001475158351 1074762761 /nfs/dbraw/zinc/76/27/61/1074762761.db2.gz APYBFVLYDCECPG-CYBMUJFWSA-N -1 3 379.453 3.604 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)s1 ZINC001475181625 1074774156 /nfs/dbraw/zinc/77/41/56/1074774156.db2.gz WYCKFFSWFCOQST-NSHDSACASA-N -1 3 379.532 3.657 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)c(F)cc1F ZINC001475417893 1074867094 /nfs/dbraw/zinc/86/70/94/1074867094.db2.gz XEFQUUNVHYQGCZ-CYBMUJFWSA-N -1 3 391.480 3.556 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2Cc2ccccc2)c(F)cc1F ZINC001475594765 1074923034 /nfs/dbraw/zinc/92/30/34/1074923034.db2.gz HJLDOWVZMOADIJ-KRWDZBQOSA-N -1 3 394.487 3.606 20 0 GHADHM O=S(=O)([N-]CC[C@H](O)C1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC001475605500 1074925540 /nfs/dbraw/zinc/92/55/40/1074925540.db2.gz SFSIJCOZFXMIMU-ZDUSSCGKSA-N -1 3 385.835 3.578 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001475669729 1074996703 /nfs/dbraw/zinc/99/67/03/1074996703.db2.gz SHQRXHVNRMECDZ-KBXCAEBGSA-N -1 3 397.855 3.683 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC001475696798 1075001649 /nfs/dbraw/zinc/00/16/49/1075001649.db2.gz BLRZPCYRGNRNOX-KRWDZBQOSA-N -1 3 397.512 3.708 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CC=C(Cl)Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC001475721248 1075008696 /nfs/dbraw/zinc/00/86/96/1075008696.db2.gz VIJFZFXXVYMJIA-QMMMGPOBSA-N -1 3 396.683 3.689 20 0 GHADHM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC001475751621 1075014504 /nfs/dbraw/zinc/01/45/04/1075014504.db2.gz GGUFSANWJMFJOA-IAQYHMDHSA-N -1 3 393.452 3.764 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001475833121 1075030636 /nfs/dbraw/zinc/03/06/36/1075030636.db2.gz FIMPMWBAKYKAFS-SSDOTTSWSA-N -1 3 397.279 3.647 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)(NCc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001604218679 1126228218 /nfs/dbraw/zinc/22/82/18/1126228218.db2.gz RVVIZILDTPLYSF-OAQYLSRUSA-N -1 3 383.879 3.760 20 0 GHADHM C[C@@](Cc1ccc(F)cc1)(NCc1coc(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC001604222625 1126228517 /nfs/dbraw/zinc/22/85/17/1126228517.db2.gz HGDMITFLZVVVSY-FQEVSTJZSA-N -1 3 390.361 3.935 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000026529001 210498643 /nfs/dbraw/zinc/49/86/43/210498643.db2.gz CWWHWFXKKUUKDL-UHFFFAOYSA-N -1 3 375.368 3.531 20 0 GHADHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1Br ZINC000484949606 564603016 /nfs/dbraw/zinc/60/30/16/564603016.db2.gz VONUOAPTSKVFQK-UHFFFAOYSA-N -1 3 398.208 3.504 20 0 GHADHM CC(C)CCO[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735820454 598833564 /nfs/dbraw/zinc/83/35/64/598833564.db2.gz SFJHGMNJVOMUKX-CQSZACIVSA-N -1 3 399.520 3.663 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc(F)cc1F ZINC000738111718 598836517 /nfs/dbraw/zinc/83/65/17/598836517.db2.gz JHTVQZFLFVZOBQ-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000735830096 598839680 /nfs/dbraw/zinc/83/96/80/598839680.db2.gz CXRHRADHVFJKJS-GPMSIDNRSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000735830096 598839681 /nfs/dbraw/zinc/83/96/81/598839681.db2.gz CXRHRADHVFJKJS-GPMSIDNRSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)n1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000735962111 598847176 /nfs/dbraw/zinc/84/71/76/598847176.db2.gz ZAQZPKAZSRWHBG-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM CC(C)n1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000735962111 598847179 /nfs/dbraw/zinc/84/71/79/598847179.db2.gz ZAQZPKAZSRWHBG-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736174762 598856806 /nfs/dbraw/zinc/85/68/06/598856806.db2.gz OFGNCOKZHRFTNW-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736174762 598856807 /nfs/dbraw/zinc/85/68/07/598856807.db2.gz OFGNCOKZHRFTNW-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895465 598859081 /nfs/dbraw/zinc/85/90/81/598859081.db2.gz JTBGHFSATHSGTH-IFXJQAMLSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895465 598859083 /nfs/dbraw/zinc/85/90/83/598859083.db2.gz JTBGHFSATHSGTH-IFXJQAMLSA-N -1 3 379.464 3.555 20 0 GHADHM Fc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(OCC(F)(F)F)c1 ZINC000737656430 598871663 /nfs/dbraw/zinc/87/16/63/598871663.db2.gz MLJIVTAPYKMJNF-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(OCC(F)(F)F)c1 ZINC000737656430 598871664 /nfs/dbraw/zinc/87/16/64/598871664.db2.gz MLJIVTAPYKMJNF-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2sccc2s1 ZINC000736037362 598887146 /nfs/dbraw/zinc/88/71/46/598887146.db2.gz GFGUJOLVEMEJOS-SNVBAGLBSA-N -1 3 386.458 3.767 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2sccc2s1 ZINC000736037362 598887147 /nfs/dbraw/zinc/88/71/47/598887147.db2.gz GFGUJOLVEMEJOS-SNVBAGLBSA-N -1 3 386.458 3.767 20 0 GHADHM CCN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCC1 ZINC000736505799 598906395 /nfs/dbraw/zinc/90/63/95/598906395.db2.gz NTOHBEYEGFBESN-UHFFFAOYSA-N -1 3 382.493 3.679 20 0 GHADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736354216 598907281 /nfs/dbraw/zinc/90/72/81/598907281.db2.gz ZXIXYLOPHYGFLW-GXFFZTMASA-N -1 3 391.884 3.616 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736364542 598907652 /nfs/dbraw/zinc/90/76/52/598907652.db2.gz SLGIOTYSTGSHIV-LBPRGKRZSA-N -1 3 393.925 3.941 20 0 GHADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736364542 598907654 /nfs/dbraw/zinc/90/76/54/598907654.db2.gz SLGIOTYSTGSHIV-LBPRGKRZSA-N -1 3 393.925 3.941 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924835 598912153 /nfs/dbraw/zinc/91/21/53/598912153.db2.gz VTABKHJALKCXJW-ROUUACIJSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924835 598912155 /nfs/dbraw/zinc/91/21/55/598912155.db2.gz VTABKHJALKCXJW-ROUUACIJSA-N -1 3 379.439 3.549 20 0 GHADHM CC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000736363408 598920084 /nfs/dbraw/zinc/92/00/84/598920084.db2.gz NRFFRMAEZONFTL-GFCCVEGCSA-N -1 3 376.873 3.532 20 0 GHADHM CC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000736363408 598920086 /nfs/dbraw/zinc/92/00/86/598920086.db2.gz NRFFRMAEZONFTL-GFCCVEGCSA-N -1 3 376.873 3.532 20 0 GHADHM CCCCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736451930 598926077 /nfs/dbraw/zinc/92/60/77/598926077.db2.gz RVRHIQLPCMXRKP-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCCCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736451930 598926078 /nfs/dbraw/zinc/92/60/78/598926078.db2.gz RVRHIQLPCMXRKP-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000735857527 598926863 /nfs/dbraw/zinc/92/68/63/598926863.db2.gz UFBXZNWTDCKZDK-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000735857527 598926864 /nfs/dbraw/zinc/92/68/64/598926864.db2.gz UFBXZNWTDCKZDK-UHFFFAOYSA-N -1 3 379.464 3.705 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736421356 598927514 /nfs/dbraw/zinc/92/75/14/598927514.db2.gz AVVWHXONXDWTIE-HNNXBMFYSA-N -1 3 379.464 3.706 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736421356 598927516 /nfs/dbraw/zinc/92/75/16/598927516.db2.gz AVVWHXONXDWTIE-HNNXBMFYSA-N -1 3 379.464 3.706 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C1=COCC1 ZINC000738172527 598933256 /nfs/dbraw/zinc/93/32/56/598933256.db2.gz NQVSCJHYJAFPTD-UHFFFAOYSA-N -1 3 383.795 3.555 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C1=COCC1 ZINC000738172527 598933257 /nfs/dbraw/zinc/93/32/57/598933257.db2.gz NQVSCJHYJAFPTD-UHFFFAOYSA-N -1 3 383.795 3.555 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000738192389 598940641 /nfs/dbraw/zinc/94/06/41/598940641.db2.gz PSOXRTNJVRGBNV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000738192389 598940643 /nfs/dbraw/zinc/94/06/43/598940643.db2.gz PSOXRTNJVRGBNV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000736606290 598941353 /nfs/dbraw/zinc/94/13/53/598941353.db2.gz YYVOGMWDTLMDFD-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM O[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1Cl ZINC000738381862 598976773 /nfs/dbraw/zinc/97/67/73/598976773.db2.gz ISGOEHCCHPYLEV-GFCCVEGCSA-N -1 3 386.189 3.597 20 0 GHADHM O[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1Cl ZINC000738381862 598976775 /nfs/dbraw/zinc/97/67/75/598976775.db2.gz ISGOEHCCHPYLEV-GFCCVEGCSA-N -1 3 386.189 3.597 20 0 GHADHM O=C(c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)N1CCCCCCC1 ZINC000738268665 598981152 /nfs/dbraw/zinc/98/11/52/598981152.db2.gz MWAOILWKBDSRQN-UHFFFAOYSA-N -1 3 391.475 3.852 20 0 GHADHM O=C(c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)N1CCCCCCC1 ZINC000738268665 598981154 /nfs/dbraw/zinc/98/11/54/598981154.db2.gz MWAOILWKBDSRQN-UHFFFAOYSA-N -1 3 391.475 3.852 20 0 GHADHM CC(C)CCN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735803946 598988487 /nfs/dbraw/zinc/98/84/87/598988487.db2.gz MORFBYYIVVODOF-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000736167222 599007641 /nfs/dbraw/zinc/00/76/41/599007641.db2.gz DHPRVTZAVMEPTC-ACJLOTCBSA-N -1 3 399.882 3.801 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc21)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502582 599015590 /nfs/dbraw/zinc/01/55/90/599015590.db2.gz OENBJTROIQGTNR-DNVCBOLYSA-N -1 3 375.476 3.896 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502582 599015592 /nfs/dbraw/zinc/01/55/92/599015592.db2.gz OENBJTROIQGTNR-DNVCBOLYSA-N -1 3 375.476 3.896 20 0 GHADHM C[C@@H]1CCC[C@H](CCNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253987 599016695 /nfs/dbraw/zinc/01/66/95/599016695.db2.gz XDQKBACFBQSZII-IAGOWNOFSA-N -1 3 385.512 3.748 20 0 GHADHM C[C@@H]1CCC[C@H](CCNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253987 599016697 /nfs/dbraw/zinc/01/66/97/599016697.db2.gz XDQKBACFBQSZII-IAGOWNOFSA-N -1 3 385.512 3.748 20 0 GHADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820770011 599039711 /nfs/dbraw/zinc/03/97/11/599039711.db2.gz YOEOJLNQKNHHKZ-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820770011 599039713 /nfs/dbraw/zinc/03/97/13/599039713.db2.gz YOEOJLNQKNHHKZ-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM CCOc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736655035 599048436 /nfs/dbraw/zinc/04/84/36/599048436.db2.gz POOHYDBXSCPRDX-SNVBAGLBSA-N -1 3 378.358 3.852 20 0 GHADHM CCOc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736655035 599048439 /nfs/dbraw/zinc/04/84/39/599048439.db2.gz POOHYDBXSCPRDX-SNVBAGLBSA-N -1 3 378.358 3.852 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737428496 599057117 /nfs/dbraw/zinc/05/71/17/599057117.db2.gz YICMSUDDTSRHTE-CQSZACIVSA-N -1 3 388.397 3.800 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737428496 599057120 /nfs/dbraw/zinc/05/71/20/599057120.db2.gz YICMSUDDTSRHTE-CQSZACIVSA-N -1 3 388.397 3.800 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000736189142 599062160 /nfs/dbraw/zinc/06/21/60/599062160.db2.gz AVGJZUJRDGAWNA-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(Cl)c1 ZINC000736189142 599062163 /nfs/dbraw/zinc/06/21/63/599062163.db2.gz AVGJZUJRDGAWNA-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000735503856 599062875 /nfs/dbraw/zinc/06/28/75/599062875.db2.gz KOPHADBGTGZELJ-UHFFFAOYSA-N -1 3 399.451 3.719 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000735503856 599062876 /nfs/dbraw/zinc/06/28/76/599062876.db2.gz KOPHADBGTGZELJ-UHFFFAOYSA-N -1 3 399.451 3.719 20 0 GHADHM Clc1ccc2[nH]cc(CCNc3nc4c(cc3-c3nnn[n-]3)CCC4)c2c1 ZINC000822582431 599065834 /nfs/dbraw/zinc/06/58/34/599065834.db2.gz TUOUJSAJPHGYQW-UHFFFAOYSA-N -1 3 379.855 3.540 20 0 GHADHM Clc1ccc2[nH]cc(CCNc3nc4c(cc3-c3nn[n-]n3)CCC4)c2c1 ZINC000822582431 599065836 /nfs/dbraw/zinc/06/58/36/599065836.db2.gz TUOUJSAJPHGYQW-UHFFFAOYSA-N -1 3 379.855 3.540 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735874443 599071059 /nfs/dbraw/zinc/07/10/59/599071059.db2.gz IKZOLNJRFXPJHU-SJLPKXTDSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735874443 599071062 /nfs/dbraw/zinc/07/10/62/599071062.db2.gz IKZOLNJRFXPJHU-SJLPKXTDSA-N -1 3 397.429 3.686 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736243971 599086725 /nfs/dbraw/zinc/08/67/25/599086725.db2.gz BMPCPWPYGBEXAU-GJZGRUSLSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736243971 599086728 /nfs/dbraw/zinc/08/67/28/599086728.db2.gz BMPCPWPYGBEXAU-GJZGRUSLSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H](Sc1nnc(CCc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820554845 599132906 /nfs/dbraw/zinc/13/29/06/599132906.db2.gz AHUIWGYHTVNGNO-CYBMUJFWSA-N -1 3 378.461 3.888 20 0 GHADHM C[C@@H](Sc1nnc(CCc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820554845 599132907 /nfs/dbraw/zinc/13/29/07/599132907.db2.gz AHUIWGYHTVNGNO-CYBMUJFWSA-N -1 3 378.461 3.888 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821407768 599144687 /nfs/dbraw/zinc/14/46/87/599144687.db2.gz WSGUOEMTTOCRHD-CLFYSBASSA-N -1 3 398.492 3.671 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)CC2CCC2)cc1 ZINC000821702000 599148201 /nfs/dbraw/zinc/14/82/01/599148201.db2.gz DBKBGDOHNCJOTM-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)CC2CCC2)cc1 ZINC000821702000 599148203 /nfs/dbraw/zinc/14/82/03/599148203.db2.gz DBKBGDOHNCJOTM-UHFFFAOYSA-N -1 3 379.420 3.796 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000822220474 599149251 /nfs/dbraw/zinc/14/92/51/599149251.db2.gz SLQBJUPJUXLVBR-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000822220474 599149253 /nfs/dbraw/zinc/14/92/53/599149253.db2.gz SLQBJUPJUXLVBR-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM CCCOC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821128282 599154777 /nfs/dbraw/zinc/15/47/77/599154777.db2.gz SPBPMUOTBLAWDZ-HNNXBMFYSA-N -1 3 395.463 3.508 20 0 GHADHM CCCOC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821128282 599154779 /nfs/dbraw/zinc/15/47/79/599154779.db2.gz SPBPMUOTBLAWDZ-HNNXBMFYSA-N -1 3 395.463 3.508 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820870811 599160266 /nfs/dbraw/zinc/16/02/66/599160266.db2.gz ZZGYWCFPZQSXBG-KBPBESRZSA-N -1 3 380.452 3.609 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820870811 599160269 /nfs/dbraw/zinc/16/02/69/599160269.db2.gz ZZGYWCFPZQSXBG-KBPBESRZSA-N -1 3 380.452 3.609 20 0 GHADHM CCC[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)OCC ZINC000736437751 599166558 /nfs/dbraw/zinc/16/65/58/599166558.db2.gz XIEUNROVRMPXIY-MRXNPFEDSA-N -1 3 383.477 3.753 20 0 GHADHM CCC[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)OCC ZINC000736437751 599166559 /nfs/dbraw/zinc/16/65/59/599166559.db2.gz XIEUNROVRMPXIY-MRXNPFEDSA-N -1 3 383.477 3.753 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc(Cl)ccc1Cl ZINC000737526009 599167788 /nfs/dbraw/zinc/16/77/88/599167788.db2.gz VJDQLKPENHRZBR-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc(Cl)ccc1Cl ZINC000737526009 599167790 /nfs/dbraw/zinc/16/77/90/599167790.db2.gz VJDQLKPENHRZBR-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]3c3ccco3)c2c1 ZINC000737639788 599170069 /nfs/dbraw/zinc/17/00/69/599170069.db2.gz WXAWMUXUJACDKJ-OAHLLOKOSA-N -1 3 398.373 3.951 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]3c3ccco3)c2c1 ZINC000737639788 599170071 /nfs/dbraw/zinc/17/00/71/599170071.db2.gz WXAWMUXUJACDKJ-OAHLLOKOSA-N -1 3 398.373 3.951 20 0 GHADHM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737660584 599171838 /nfs/dbraw/zinc/17/18/38/599171838.db2.gz KJRPNIUQNWBUHX-LDYMZIIASA-N -1 3 382.296 3.527 20 0 GHADHM Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737660584 599171841 /nfs/dbraw/zinc/17/18/41/599171841.db2.gz KJRPNIUQNWBUHX-LDYMZIIASA-N -1 3 382.296 3.527 20 0 GHADHM COc1ccc2sc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3OC)c(C)c2c1 ZINC000737121157 599180432 /nfs/dbraw/zinc/18/04/32/599180432.db2.gz WUFFIEHTAMLVJI-UHFFFAOYSA-N -1 3 396.428 3.626 20 0 GHADHM COc1ccc2sc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3OC)c(C)c2c1 ZINC000737121157 599180434 /nfs/dbraw/zinc/18/04/34/599180434.db2.gz WUFFIEHTAMLVJI-UHFFFAOYSA-N -1 3 396.428 3.626 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737808668 599181358 /nfs/dbraw/zinc/18/13/58/599181358.db2.gz PVLZBWIIINHIIY-QFIPXVFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737808668 599181360 /nfs/dbraw/zinc/18/13/60/599181360.db2.gz PVLZBWIIINHIIY-QFIPXVFZSA-N -1 3 397.482 3.900 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736351412 599182849 /nfs/dbraw/zinc/18/28/49/599182849.db2.gz FYUQTRMPAKGKEI-GOSISDBHSA-N -1 3 398.898 3.683 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736351412 599182853 /nfs/dbraw/zinc/18/28/53/599182853.db2.gz FYUQTRMPAKGKEI-GOSISDBHSA-N -1 3 398.898 3.683 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666730 599190206 /nfs/dbraw/zinc/19/02/06/599190206.db2.gz JGHGUJUMBAFKCJ-LIRRHRJNSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666730 599190210 /nfs/dbraw/zinc/19/02/10/599190210.db2.gz JGHGUJUMBAFKCJ-LIRRHRJNSA-N -1 3 379.439 3.548 20 0 GHADHM O=C(Nc1cnoc1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738198117 599196625 /nfs/dbraw/zinc/19/66/25/599196625.db2.gz NXGBPSSPEVJNPL-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM O=C(Nc1cnoc1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738198117 599196626 /nfs/dbraw/zinc/19/66/26/599196626.db2.gz NXGBPSSPEVJNPL-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820949818 599201015 /nfs/dbraw/zinc/20/10/15/599201015.db2.gz GCJPEEHNQFRBOB-OAQYLSRUSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820949818 599201017 /nfs/dbraw/zinc/20/10/17/599201017.db2.gz GCJPEEHNQFRBOB-OAQYLSRUSA-N -1 3 395.463 3.691 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000820732917 599207826 /nfs/dbraw/zinc/20/78/26/599207826.db2.gz BAJBCJZHWNEXQP-KKSFZXQISA-N -1 3 391.475 3.635 20 0 GHADHM C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820732917 599207827 /nfs/dbraw/zinc/20/78/27/599207827.db2.gz BAJBCJZHWNEXQP-KKSFZXQISA-N -1 3 391.475 3.635 20 0 GHADHM CSCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737177078 599210806 /nfs/dbraw/zinc/21/08/06/599210806.db2.gz QZKHQSLOKIJNAH-UHFFFAOYSA-N -1 3 387.896 3.806 20 0 GHADHM CSCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737177078 599210808 /nfs/dbraw/zinc/21/08/08/599210808.db2.gz QZKHQSLOKIJNAH-UHFFFAOYSA-N -1 3 387.896 3.806 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736177752 599302544 /nfs/dbraw/zinc/30/25/44/599302544.db2.gz URVNTLWUYPWZHF-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736177752 599302547 /nfs/dbraw/zinc/30/25/47/599302547.db2.gz URVNTLWUYPWZHF-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM Cc1ncc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)s1 ZINC000822467511 599219301 /nfs/dbraw/zinc/21/93/01/599219301.db2.gz OIYKDGHHXMULIG-UHFFFAOYSA-N -1 3 396.407 3.815 20 0 GHADHM Cc1ncc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)s1 ZINC000822467511 599219304 /nfs/dbraw/zinc/21/93/04/599219304.db2.gz OIYKDGHHXMULIG-UHFFFAOYSA-N -1 3 396.407 3.815 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000822232132 599221787 /nfs/dbraw/zinc/22/17/87/599221787.db2.gz UWXAYCNSVGVLBW-QRTARXTBSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000822232132 599221789 /nfs/dbraw/zinc/22/17/89/599221789.db2.gz UWXAYCNSVGVLBW-QRTARXTBSA-N -1 3 395.463 3.535 20 0 GHADHM Cc1c(F)cccc1NC(=O)CCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822034832 599224174 /nfs/dbraw/zinc/22/41/74/599224174.db2.gz MUHUCSGWJCUVBU-UHFFFAOYSA-N -1 3 389.431 3.715 20 0 GHADHM Cc1c(F)cccc1NC(=O)CCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822034832 599224177 /nfs/dbraw/zinc/22/41/77/599224177.db2.gz MUHUCSGWJCUVBU-UHFFFAOYSA-N -1 3 389.431 3.715 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(Cl)cc1Br ZINC000822761247 607259820 /nfs/dbraw/zinc/25/98/20/607259820.db2.gz DWSSHXMDTPLICN-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCCCc2ccccc21 ZINC000737943199 599232155 /nfs/dbraw/zinc/23/21/55/599232155.db2.gz QBTIFKSTKVIJOS-UHFFFAOYSA-N -1 3 379.489 3.718 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCCCc2ccccc21 ZINC000737943199 599232158 /nfs/dbraw/zinc/23/21/58/599232158.db2.gz QBTIFKSTKVIJOS-UHFFFAOYSA-N -1 3 379.489 3.718 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820668611 599227195 /nfs/dbraw/zinc/22/71/95/599227195.db2.gz VJJNCORKNXZABO-YVEFUNNKSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820668611 599227197 /nfs/dbraw/zinc/22/71/97/599227197.db2.gz VJJNCORKNXZABO-YVEFUNNKSA-N -1 3 382.468 3.786 20 0 GHADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C2CCCC1CCC2 ZINC000738293632 599227570 /nfs/dbraw/zinc/22/75/70/599227570.db2.gz ZDQYCAYOAAAHOZ-UHFFFAOYSA-N -1 3 393.447 3.586 20 0 GHADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C2CCCC1CCC2 ZINC000738293632 599227574 /nfs/dbraw/zinc/22/75/74/599227574.db2.gz ZDQYCAYOAAAHOZ-UHFFFAOYSA-N -1 3 393.447 3.586 20 0 GHADHM Cc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1Cl ZINC000822467079 607264304 /nfs/dbraw/zinc/26/43/04/607264304.db2.gz HARMUFHOGPNHMV-VIFPVBQESA-N -1 3 378.219 3.795 20 0 GHADHM Cc1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1Cl ZINC000822467079 607264305 /nfs/dbraw/zinc/26/43/05/607264305.db2.gz HARMUFHOGPNHMV-VIFPVBQESA-N -1 3 378.219 3.795 20 0 GHADHM CNC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000821635987 599228840 /nfs/dbraw/zinc/22/88/40/599228840.db2.gz AJAHJRXGBUFSDC-UHFFFAOYSA-N -1 3 394.382 3.594 20 0 GHADHM CNC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000821635987 599228842 /nfs/dbraw/zinc/22/88/42/599228842.db2.gz AJAHJRXGBUFSDC-UHFFFAOYSA-N -1 3 394.382 3.594 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000823237914 599239514 /nfs/dbraw/zinc/23/95/14/599239514.db2.gz FNRVLCHSJNDZMG-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(-c2ccccc2)cc1 ZINC000823237914 599239516 /nfs/dbraw/zinc/23/95/16/599239516.db2.gz FNRVLCHSJNDZMG-UHFFFAOYSA-N -1 3 388.406 3.995 20 0 GHADHM CC1(C)C[C@@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000820585855 607266234 /nfs/dbraw/zinc/26/62/34/607266234.db2.gz QRCOPDDHHUTUSR-GOSISDBHSA-N -1 3 393.516 3.639 20 0 GHADHM CC1(C)C[C@@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000820585855 607266235 /nfs/dbraw/zinc/26/62/35/607266235.db2.gz QRCOPDDHHUTUSR-GOSISDBHSA-N -1 3 393.516 3.639 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)n1 ZINC000735932663 599240223 /nfs/dbraw/zinc/24/02/23/599240223.db2.gz PAKIHDKOROVNIW-NSHDSACASA-N -1 3 388.522 3.528 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)n1 ZINC000735932663 599240225 /nfs/dbraw/zinc/24/02/25/599240225.db2.gz PAKIHDKOROVNIW-NSHDSACASA-N -1 3 388.522 3.528 20 0 GHADHM COc1ccccc1-c1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000821877738 607269302 /nfs/dbraw/zinc/26/93/02/607269302.db2.gz SEXTWHOKIWELQV-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccccc1-c1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000821877738 607269303 /nfs/dbraw/zinc/26/93/03/607269303.db2.gz SEXTWHOKIWELQV-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc2cc(F)ccc2o1 ZINC000737024393 599245856 /nfs/dbraw/zinc/24/58/56/599245856.db2.gz HQKMQICIDGISMQ-UHFFFAOYSA-N -1 3 388.742 3.633 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc2cc(F)ccc2o1 ZINC000737024393 599245857 /nfs/dbraw/zinc/24/58/57/599245857.db2.gz HQKMQICIDGISMQ-UHFFFAOYSA-N -1 3 388.742 3.633 20 0 GHADHM Cc1c(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cccc1-c1nnn[n-]1 ZINC000822084859 607286437 /nfs/dbraw/zinc/28/64/37/607286437.db2.gz QNUDARPBJJBFAC-UHFFFAOYSA-N -1 3 384.390 3.650 20 0 GHADHM Cc1c(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cccc1-c1nn[n-]n1 ZINC000822084859 607286438 /nfs/dbraw/zinc/28/64/38/607286438.db2.gz QNUDARPBJJBFAC-UHFFFAOYSA-N -1 3 384.390 3.650 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OC1CCCC1 ZINC000822979084 607294495 /nfs/dbraw/zinc/29/44/95/607294495.db2.gz WOCWPQOZDWSSGU-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OC1CCCC1 ZINC000822979084 607294496 /nfs/dbraw/zinc/29/44/96/607294496.db2.gz WOCWPQOZDWSSGU-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cc(Cl)ccc1F ZINC000737842705 599263490 /nfs/dbraw/zinc/26/34/90/599263490.db2.gz VGLLNAUITACULO-UHFFFAOYSA-N -1 3 390.802 3.814 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cc(Cl)ccc1F ZINC000737842705 599263491 /nfs/dbraw/zinc/26/34/91/599263491.db2.gz VGLLNAUITACULO-UHFFFAOYSA-N -1 3 390.802 3.814 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000820152237 599263755 /nfs/dbraw/zinc/26/37/55/599263755.db2.gz VBFWVOSYLDSIIQ-WIYYLYMNSA-N -1 3 392.463 3.506 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000820152237 599263757 /nfs/dbraw/zinc/26/37/57/599263757.db2.gz VBFWVOSYLDSIIQ-WIYYLYMNSA-N -1 3 392.463 3.506 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000820152236 599264007 /nfs/dbraw/zinc/26/40/07/599264007.db2.gz VBFWVOSYLDSIIQ-RXVVDRJESA-N -1 3 392.463 3.506 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000820152236 599264009 /nfs/dbraw/zinc/26/40/09/599264009.db2.gz VBFWVOSYLDSIIQ-RXVVDRJESA-N -1 3 392.463 3.506 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(COc2ccccc2)c1 ZINC000823792225 607310211 /nfs/dbraw/zinc/31/02/11/607310211.db2.gz QAVWNVOIKNRNCJ-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cccc(COc2ccccc2)c1 ZINC000823792225 607310212 /nfs/dbraw/zinc/31/02/12/607310212.db2.gz QAVWNVOIKNRNCJ-UHFFFAOYSA-N -1 3 397.442 3.706 20 0 GHADHM COc1ccc(CNc2ccc(N3CCC(C)CC3)cc2)cc1-c1nnn[n-]1 ZINC000821821640 607310700 /nfs/dbraw/zinc/31/07/00/607310700.db2.gz OMSNANRCIGTCAP-UHFFFAOYSA-N -1 3 378.480 3.724 20 0 GHADHM COc1ccc(CNc2ccc(N3CCC(C)CC3)cc2)cc1-c1nn[n-]n1 ZINC000821821640 607310701 /nfs/dbraw/zinc/31/07/01/607310701.db2.gz OMSNANRCIGTCAP-UHFFFAOYSA-N -1 3 378.480 3.724 20 0 GHADHM COc1ccc(CNc2ccc3oc(C(F)(F)F)nc3c2)cc1-c1nnn[n-]1 ZINC000821821627 607314207 /nfs/dbraw/zinc/31/42/07/607314207.db2.gz OAYOCEIJSHWUGZ-UHFFFAOYSA-N -1 3 390.325 3.647 20 0 GHADHM COc1ccc(CNc2ccc3oc(C(F)(F)F)nc3c2)cc1-c1nn[n-]n1 ZINC000821821627 607314208 /nfs/dbraw/zinc/31/42/08/607314208.db2.gz OAYOCEIJSHWUGZ-UHFFFAOYSA-N -1 3 390.325 3.647 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822727915 607314640 /nfs/dbraw/zinc/31/46/40/607314640.db2.gz BVOMPCXJQIURFM-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM COc1ccc(CNc2ccc(-c3nc(C)cs3)cc2)cc1-c1nnn[n-]1 ZINC000821821473 607314939 /nfs/dbraw/zinc/31/49/39/607314939.db2.gz HLMABGOUYLZKRK-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM COc1ccc(CNc2ccc(-c3nc(C)cs3)cc2)cc1-c1nn[n-]n1 ZINC000821821473 607314940 /nfs/dbraw/zinc/31/49/40/607314940.db2.gz HLMABGOUYLZKRK-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM CC(C)OCc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820145746 599266341 /nfs/dbraw/zinc/26/63/41/599266341.db2.gz FVALKJXRPMWFCY-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM CC(C)OCc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820145746 599266343 /nfs/dbraw/zinc/26/63/43/599266343.db2.gz FVALKJXRPMWFCY-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM Clc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)ccc1-c1nnn[n-]1 ZINC000737567300 599266762 /nfs/dbraw/zinc/26/67/62/599266762.db2.gz ZMTAQFHYKOXXBY-MRXNPFEDSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)ccc1-c1nn[n-]n1 ZINC000737567300 599266764 /nfs/dbraw/zinc/26/67/64/599266764.db2.gz ZMTAQFHYKOXXBY-MRXNPFEDSA-N -1 3 383.839 3.633 20 0 GHADHM COc1ccc(CNc2ccc(OCC(F)(F)F)c(C)c2)cc1-c1nnn[n-]1 ZINC000821821673 607317766 /nfs/dbraw/zinc/31/77/66/607317766.db2.gz QHALRGCUKCEIOU-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1ccc(CNc2ccc(OCC(F)(F)F)c(C)c2)cc1-c1nn[n-]n1 ZINC000821821673 607317767 /nfs/dbraw/zinc/31/77/67/607317767.db2.gz QHALRGCUKCEIOU-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc(Cl)c1 ZINC000736487948 599277453 /nfs/dbraw/zinc/27/74/53/599277453.db2.gz LDTDHKGZCAGBQB-UHFFFAOYSA-N -1 3 384.871 3.913 20 0 GHADHM CC(C)c1nc2cc(NC(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000735942413 599280071 /nfs/dbraw/zinc/28/00/71/599280071.db2.gz IPASCWMDNLFYOX-UHFFFAOYSA-N -1 3 391.435 3.795 20 0 GHADHM CC(C)c1nc2cc(NC(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000735942413 599280074 /nfs/dbraw/zinc/28/00/74/599280074.db2.gz IPASCWMDNLFYOX-UHFFFAOYSA-N -1 3 391.435 3.795 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820380775 599281205 /nfs/dbraw/zinc/28/12/05/599281205.db2.gz ZRMTTYIXTBZVHR-CYBMUJFWSA-N -1 3 380.452 3.927 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820380775 599281207 /nfs/dbraw/zinc/28/12/07/599281207.db2.gz ZRMTTYIXTBZVHR-CYBMUJFWSA-N -1 3 380.452 3.927 20 0 GHADHM CC1(C)CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820594790 599281502 /nfs/dbraw/zinc/28/15/02/599281502.db2.gz CFSITKUERRSIEO-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC1(C)CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820594790 599281505 /nfs/dbraw/zinc/28/15/05/599281505.db2.gz CFSITKUERRSIEO-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190404 599286568 /nfs/dbraw/zinc/28/65/68/599286568.db2.gz DWYBSYYKUTZBCB-LLVKDONJSA-N -1 3 381.440 3.655 20 0 GHADHM C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190404 599286571 /nfs/dbraw/zinc/28/65/71/599286571.db2.gz DWYBSYYKUTZBCB-LLVKDONJSA-N -1 3 381.440 3.655 20 0 GHADHM Cc1ccc([C@H]2CCCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)o1 ZINC000737332882 599289691 /nfs/dbraw/zinc/28/96/91/599289691.db2.gz XGPSZZWTNVZMQZ-MRXNPFEDSA-N -1 3 391.435 3.545 20 0 GHADHM Cc1ccc([C@H]2CCCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)o1 ZINC000737332882 599289694 /nfs/dbraw/zinc/28/96/94/599289694.db2.gz XGPSZZWTNVZMQZ-MRXNPFEDSA-N -1 3 391.435 3.545 20 0 GHADHM S=C(NCCc1cc2ccccc2[nH]1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823731738 607326226 /nfs/dbraw/zinc/32/62/26/607326226.db2.gz FEJBZNWQEYKIRO-UHFFFAOYSA-N -1 3 397.895 3.531 20 0 GHADHM S=C(NCCc1cc2ccccc2[nH]1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823731738 607326227 /nfs/dbraw/zinc/32/62/27/607326227.db2.gz FEJBZNWQEYKIRO-UHFFFAOYSA-N -1 3 397.895 3.531 20 0 GHADHM FC(F)(F)c1cc(N[C@H]2CCOC3(CCSCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723955 607331258 /nfs/dbraw/zinc/33/12/58/607331258.db2.gz UPTOGFDPNQQLER-LBPRGKRZSA-N -1 3 399.442 3.742 20 0 GHADHM FC(F)(F)c1cc(N[C@H]2CCOC3(CCSCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723955 607331259 /nfs/dbraw/zinc/33/12/59/607331259.db2.gz UPTOGFDPNQQLER-LBPRGKRZSA-N -1 3 399.442 3.742 20 0 GHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735597635 598233216 /nfs/dbraw/zinc/23/32/16/598233216.db2.gz RCUZOEPECBJVTB-SFHVURJKSA-N -1 3 395.463 3.689 20 0 GHADHM Cc1cc(NC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)no1 ZINC000737274541 598254267 /nfs/dbraw/zinc/25/42/67/598254267.db2.gz MFJJUKCDSWSUIM-UHFFFAOYSA-N -1 3 377.364 3.599 20 0 GHADHM Cc1cc(NC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000737274541 598254268 /nfs/dbraw/zinc/25/42/68/598254268.db2.gz MFJJUKCDSWSUIM-UHFFFAOYSA-N -1 3 377.364 3.599 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CCO2)cc1 ZINC000737652560 598275796 /nfs/dbraw/zinc/27/57/96/598275796.db2.gz YDZWHGNUGQXDCW-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CCO2)cc1 ZINC000737652560 598275797 /nfs/dbraw/zinc/27/57/97/598275797.db2.gz YDZWHGNUGQXDCW-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736750192 598282211 /nfs/dbraw/zinc/28/22/11/598282211.db2.gz WBOYPEAOTNVWJJ-UHFFFAOYSA-N -1 3 381.342 3.682 20 0 GHADHM CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736750192 598282213 /nfs/dbraw/zinc/28/22/13/598282213.db2.gz WBOYPEAOTNVWJJ-UHFFFAOYSA-N -1 3 381.342 3.682 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccs1)C(C)C ZINC000736635844 598292490 /nfs/dbraw/zinc/29/24/90/598292490.db2.gz HSWWOEWEXJTVAD-UHFFFAOYSA-N -1 3 386.481 3.769 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1cccs1)C(C)C ZINC000736635844 598292491 /nfs/dbraw/zinc/29/24/91/598292491.db2.gz HSWWOEWEXJTVAD-UHFFFAOYSA-N -1 3 386.481 3.769 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(-c2cccs2)c1 ZINC000738100561 598292937 /nfs/dbraw/zinc/29/29/37/598292937.db2.gz RCBLHDJJBVIKGY-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2cccs2)c1 ZINC000738100561 598292938 /nfs/dbraw/zinc/29/29/38/598292938.db2.gz RCBLHDJJBVIKGY-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737464279 598296046 /nfs/dbraw/zinc/29/60/46/598296046.db2.gz IPXGSYRVNWVDBR-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737464279 598296048 /nfs/dbraw/zinc/29/60/48/598296048.db2.gz IPXGSYRVNWVDBR-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737464804 598296319 /nfs/dbraw/zinc/29/63/19/598296319.db2.gz YSVHKOYABHMHOF-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737464804 598296321 /nfs/dbraw/zinc/29/63/21/598296321.db2.gz YSVHKOYABHMHOF-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738151698 598298549 /nfs/dbraw/zinc/29/85/49/598298549.db2.gz UOHSZCMSDAZUGR-UHFFFAOYSA-N -1 3 383.280 3.773 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738151698 598298550 /nfs/dbraw/zinc/29/85/50/598298550.db2.gz UOHSZCMSDAZUGR-UHFFFAOYSA-N -1 3 383.280 3.773 20 0 GHADHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)oc2c1c(C)ccc2C ZINC000737327181 598300207 /nfs/dbraw/zinc/30/02/07/598300207.db2.gz WRTXDLKBDHHUNF-UHFFFAOYSA-N -1 3 379.395 3.607 20 0 GHADHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)oc2c1c(C)ccc2C ZINC000737327181 598300209 /nfs/dbraw/zinc/30/02/09/598300209.db2.gz WRTXDLKBDHHUNF-UHFFFAOYSA-N -1 3 379.395 3.607 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735985455 598318870 /nfs/dbraw/zinc/31/88/70/598318870.db2.gz LGSBWSMOBBYVBK-AWEZNQCLSA-N -1 3 396.470 3.561 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735985455 598318872 /nfs/dbraw/zinc/31/88/72/598318872.db2.gz LGSBWSMOBBYVBK-AWEZNQCLSA-N -1 3 396.470 3.561 20 0 GHADHM Cc1nc2cc(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2o1 ZINC000737488598 598319039 /nfs/dbraw/zinc/31/90/39/598319039.db2.gz RXODJONWMZBBKM-UHFFFAOYSA-N -1 3 385.840 3.779 20 0 GHADHM Cc1nc2cc(NC(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2o1 ZINC000737488598 598319041 /nfs/dbraw/zinc/31/90/41/598319041.db2.gz RXODJONWMZBBKM-UHFFFAOYSA-N -1 3 385.840 3.779 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737209733 598319443 /nfs/dbraw/zinc/31/94/43/598319443.db2.gz UPRPDSXTPMNEGJ-GFCCVEGCSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737209733 598319445 /nfs/dbraw/zinc/31/94/45/598319445.db2.gz UPRPDSXTPMNEGJ-GFCCVEGCSA-N -1 3 394.410 3.621 20 0 GHADHM CCCCOc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736462479 598323656 /nfs/dbraw/zinc/32/36/56/598323656.db2.gz COEKYYDGIPSKDG-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCCCOc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736462479 598323657 /nfs/dbraw/zinc/32/36/57/598323657.db2.gz COEKYYDGIPSKDG-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM Cc1ccccc1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737437541 598324339 /nfs/dbraw/zinc/32/43/39/598324339.db2.gz WLIHEIHNWPBKMS-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1ccccc1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737437541 598324340 /nfs/dbraw/zinc/32/43/40/598324340.db2.gz WLIHEIHNWPBKMS-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(OC2CCCC2)cc1 ZINC000738101447 598324512 /nfs/dbraw/zinc/32/45/12/598324512.db2.gz XTPBZTSWQSEEAA-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(OC2CCCC2)cc1 ZINC000738101447 598324514 /nfs/dbraw/zinc/32/45/14/598324514.db2.gz XTPBZTSWQSEEAA-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737345430 598325444 /nfs/dbraw/zinc/32/54/44/598325444.db2.gz RDJLCPBPHNZKTH-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737345430 598325446 /nfs/dbraw/zinc/32/54/46/598325446.db2.gz RDJLCPBPHNZKTH-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(OCc1ccc(F)cc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738231191 598326385 /nfs/dbraw/zinc/32/63/85/598326385.db2.gz JMBIQBIJCXDBBS-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM O=C(OCc1ccc(F)cc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738231191 598326387 /nfs/dbraw/zinc/32/63/87/598326387.db2.gz JMBIQBIJCXDBBS-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736204562 598327415 /nfs/dbraw/zinc/32/74/15/598327415.db2.gz RPYUDBZQJLNCCA-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736204562 598327417 /nfs/dbraw/zinc/32/74/17/598327417.db2.gz RPYUDBZQJLNCCA-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736104603 598359833 /nfs/dbraw/zinc/35/98/33/598359833.db2.gz HHAPRHYZYKDCBQ-ZDUSSCGKSA-N -1 3 377.473 3.891 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736104603 598359835 /nfs/dbraw/zinc/35/98/35/598359835.db2.gz HHAPRHYZYKDCBQ-ZDUSSCGKSA-N -1 3 377.473 3.891 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1OCC(F)F ZINC000737361099 598365290 /nfs/dbraw/zinc/36/52/90/598365290.db2.gz SJOUNULZBLVWLU-UHFFFAOYSA-N -1 3 390.419 3.628 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1OCC(F)F ZINC000737361099 598365292 /nfs/dbraw/zinc/36/52/92/598365292.db2.gz SJOUNULZBLVWLU-UHFFFAOYSA-N -1 3 390.419 3.628 20 0 GHADHM CCc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc(-c2ccccn2)n1 ZINC000736677839 598385185 /nfs/dbraw/zinc/38/51/85/598385185.db2.gz PDBBVPLFBJANRK-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM CCc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc(-c2ccccn2)n1 ZINC000736677839 598385187 /nfs/dbraw/zinc/38/51/87/598385187.db2.gz PDBBVPLFBJANRK-UHFFFAOYSA-N -1 3 379.811 3.727 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c(F)c2)cc1 ZINC000521994296 598394708 /nfs/dbraw/zinc/39/47/08/598394708.db2.gz MMBWWFUMTAMYPO-UHFFFAOYSA-N -1 3 387.418 3.911 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c(F)c2)cc1 ZINC000521994296 598394710 /nfs/dbraw/zinc/39/47/10/598394710.db2.gz MMBWWFUMTAMYPO-UHFFFAOYSA-N -1 3 387.418 3.911 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=C(C)Cc2ccccc2OC)s1 ZINC000736679539 598395489 /nfs/dbraw/zinc/39/54/89/598395489.db2.gz WQNIMCCXBDSZAI-ZRDIBKRKSA-N -1 3 383.477 3.627 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)/C=C(\C)Cc2ccccc2OC)s1 ZINC000736679539 598395491 /nfs/dbraw/zinc/39/54/91/598395491.db2.gz WQNIMCCXBDSZAI-ZRDIBKRKSA-N -1 3 383.477 3.627 20 0 GHADHM O=C(c1ccc(NCc2ccccc2-c2nnn[n-]2)cc1Cl)N1CCCCC1 ZINC000738267563 598404512 /nfs/dbraw/zinc/40/45/12/598404512.db2.gz NAKKAZWPOPXQDB-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(NCc2ccccc2-c2nn[n-]n2)cc1Cl)N1CCCCC1 ZINC000738267563 598404514 /nfs/dbraw/zinc/40/45/14/598404514.db2.gz NAKKAZWPOPXQDB-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000736194193 598416824 /nfs/dbraw/zinc/41/68/24/598416824.db2.gz XLZWSZZMEHBYEP-CHWSQXEVSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000736194193 598416825 /nfs/dbraw/zinc/41/68/25/598416825.db2.gz XLZWSZZMEHBYEP-CHWSQXEVSA-N -1 3 393.472 3.971 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737811488 598418247 /nfs/dbraw/zinc/41/82/47/598418247.db2.gz CCAAUXOLYHBVGK-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737811488 598418248 /nfs/dbraw/zinc/41/82/48/598418248.db2.gz CCAAUXOLYHBVGK-AWEZNQCLSA-N -1 3 392.438 3.913 20 0 GHADHM Cc1cccc(N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737395895 598418316 /nfs/dbraw/zinc/41/83/16/598418316.db2.gz BDWJOKDCMKFQDQ-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM Cc1cccc(N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737395895 598418317 /nfs/dbraw/zinc/41/83/17/598418317.db2.gz BDWJOKDCMKFQDQ-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000737288063 598418537 /nfs/dbraw/zinc/41/85/37/598418537.db2.gz HMFBPFBRCSZJGC-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000737288063 598418539 /nfs/dbraw/zinc/41/85/39/598418539.db2.gz HMFBPFBRCSZJGC-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000737288067 598418669 /nfs/dbraw/zinc/41/86/69/598418669.db2.gz HMFBPFBRCSZJGC-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000737288067 598418670 /nfs/dbraw/zinc/41/86/70/598418670.db2.gz HMFBPFBRCSZJGC-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000735874878 598427779 /nfs/dbraw/zinc/42/77/79/598427779.db2.gz VLRIURHHVMZYPS-UHFFFAOYSA-N -1 3 393.476 3.919 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000735874878 598427780 /nfs/dbraw/zinc/42/77/80/598427780.db2.gz VLRIURHHVMZYPS-UHFFFAOYSA-N -1 3 393.476 3.919 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737073400 598430380 /nfs/dbraw/zinc/43/03/80/598430380.db2.gz QDCUBBUQXNCAIR-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737073400 598430381 /nfs/dbraw/zinc/43/03/81/598430381.db2.gz QDCUBBUQXNCAIR-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737151208 598433624 /nfs/dbraw/zinc/43/36/24/598433624.db2.gz AELRDMOAVJZKDC-HUUCEWRRSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737151208 598433626 /nfs/dbraw/zinc/43/36/26/598433626.db2.gz AELRDMOAVJZKDC-HUUCEWRRSA-N -1 3 380.448 3.748 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000738192209 598439995 /nfs/dbraw/zinc/43/99/95/598439995.db2.gz XVRYSGMKGLPTEH-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000738192209 598439996 /nfs/dbraw/zinc/43/99/96/598439996.db2.gz XVRYSGMKGLPTEH-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000736506084 598442901 /nfs/dbraw/zinc/44/29/01/598442901.db2.gz QTLNLRSINGQRAI-LLVKDONJSA-N -1 3 390.369 3.504 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000736506084 598442903 /nfs/dbraw/zinc/44/29/03/598442903.db2.gz QTLNLRSINGQRAI-LLVKDONJSA-N -1 3 390.369 3.504 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737417606 598443038 /nfs/dbraw/zinc/44/30/38/598443038.db2.gz JIXCRFUSMGSMDH-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737417606 598443040 /nfs/dbraw/zinc/44/30/40/598443040.db2.gz JIXCRFUSMGSMDH-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737088481 598443069 /nfs/dbraw/zinc/44/30/69/598443069.db2.gz MLUINOZNIDBCOF-MRXNPFEDSA-N -1 3 393.491 3.856 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737088481 598443071 /nfs/dbraw/zinc/44/30/71/598443071.db2.gz MLUINOZNIDBCOF-MRXNPFEDSA-N -1 3 393.491 3.856 20 0 GHADHM CC(C)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)nc1-c1ccccc1 ZINC000735954225 598444087 /nfs/dbraw/zinc/44/40/87/598444087.db2.gz WASVUNGMPVXIFG-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)nc1-c1ccccc1 ZINC000735954225 598444088 /nfs/dbraw/zinc/44/40/88/598444088.db2.gz WASVUNGMPVXIFG-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CCS[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)C ZINC000736668171 598444183 /nfs/dbraw/zinc/44/41/83/598444183.db2.gz YIKVYCCNTHKHKF-KRWDZBQOSA-N -1 3 398.492 3.770 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737140417 598444877 /nfs/dbraw/zinc/44/48/77/598444877.db2.gz CTCUTFWQUSKRGQ-SDNWHVSQSA-N -1 3 393.447 3.705 20 0 GHADHM COc1ccccc1C(C)=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737140417 598444880 /nfs/dbraw/zinc/44/48/80/598444880.db2.gz CTCUTFWQUSKRGQ-SDNWHVSQSA-N -1 3 393.447 3.705 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737059542 598450377 /nfs/dbraw/zinc/45/03/77/598450377.db2.gz WMZWPNFJHWAJFT-MSOLQXFVSA-N -1 3 385.427 3.771 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737059542 598450378 /nfs/dbraw/zinc/45/03/78/598450378.db2.gz WMZWPNFJHWAJFT-MSOLQXFVSA-N -1 3 385.427 3.771 20 0 GHADHM CC[C@@](C)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736316661 598455328 /nfs/dbraw/zinc/45/53/28/598455328.db2.gz YQBVJTRBMYAMLZ-HXUWFJFHSA-N -1 3 381.505 3.542 20 0 GHADHM CC[C@@](C)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736316661 598455330 /nfs/dbraw/zinc/45/53/30/598455330.db2.gz YQBVJTRBMYAMLZ-HXUWFJFHSA-N -1 3 381.505 3.542 20 0 GHADHM CC(C)n1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000735961171 598466180 /nfs/dbraw/zinc/46/61/80/598466180.db2.gz NKXREUCZSMLXQS-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM CC(C)n1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000735961171 598466182 /nfs/dbraw/zinc/46/61/82/598466182.db2.gz NKXREUCZSMLXQS-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM C[C@@H](OC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736229058 598472531 /nfs/dbraw/zinc/47/25/31/598472531.db2.gz PWVWXZFXNREELG-RBSFLKMASA-N -1 3 399.495 3.589 20 0 GHADHM C[C@@H](OC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736229058 598472533 /nfs/dbraw/zinc/47/25/33/598472533.db2.gz PWVWXZFXNREELG-RBSFLKMASA-N -1 3 399.495 3.589 20 0 GHADHM CSc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737189380 598475063 /nfs/dbraw/zinc/47/50/63/598475063.db2.gz FSNRCVFGUQQIHT-UHFFFAOYSA-N -1 3 380.477 3.785 20 0 GHADHM CSc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737189380 598475064 /nfs/dbraw/zinc/47/50/64/598475064.db2.gz FSNRCVFGUQQIHT-UHFFFAOYSA-N -1 3 380.477 3.785 20 0 GHADHM Cc1nc2ccc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc2o1 ZINC000737488615 598475138 /nfs/dbraw/zinc/47/51/38/598475138.db2.gz SLPPIORDSHMRCE-UHFFFAOYSA-N -1 3 389.419 3.513 20 0 GHADHM Cc1nc2ccc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)cc2o1 ZINC000737488615 598475140 /nfs/dbraw/zinc/47/51/40/598475140.db2.gz SLPPIORDSHMRCE-UHFFFAOYSA-N -1 3 389.419 3.513 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000735913967 598475668 /nfs/dbraw/zinc/47/56/68/598475668.db2.gz FPTOEMRWHIKZJP-UHFFFAOYSA-N -1 3 392.463 3.850 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000735913967 598475669 /nfs/dbraw/zinc/47/56/69/598475669.db2.gz FPTOEMRWHIKZJP-UHFFFAOYSA-N -1 3 392.463 3.850 20 0 GHADHM CCOc1cc(C)ccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736627308 598476201 /nfs/dbraw/zinc/47/62/01/598476201.db2.gz YSAGPIBDOUKZCM-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM CCOc1cc(C)ccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736627308 598476202 /nfs/dbraw/zinc/47/62/02/598476202.db2.gz YSAGPIBDOUKZCM-UHFFFAOYSA-N -1 3 392.463 3.770 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(Cl)cc1 ZINC000736111138 598477848 /nfs/dbraw/zinc/47/78/48/598477848.db2.gz KTWBBDMGBPSMAV-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(Cl)cc1 ZINC000736111138 598477850 /nfs/dbraw/zinc/47/78/50/598477850.db2.gz KTWBBDMGBPSMAV-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000735654543 598488900 /nfs/dbraw/zinc/48/89/00/598488900.db2.gz FSZZMXHKHXRCHA-FNORWQNLSA-N -1 3 376.873 3.790 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(Cl)s1 ZINC000735654543 598488902 /nfs/dbraw/zinc/48/89/02/598488902.db2.gz FSZZMXHKHXRCHA-FNORWQNLSA-N -1 3 376.873 3.790 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)n1-c1nccs1 ZINC000737238969 598489337 /nfs/dbraw/zinc/48/93/37/598489337.db2.gz VYKVCFUPJRYXIO-CYBMUJFWSA-N -1 3 394.460 3.649 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)n1-c1nccs1 ZINC000737238969 598489339 /nfs/dbraw/zinc/48/93/39/598489339.db2.gz VYKVCFUPJRYXIO-CYBMUJFWSA-N -1 3 394.460 3.649 20 0 GHADHM CC(C)c1ccccc1OCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735933523 598489897 /nfs/dbraw/zinc/48/98/97/598489897.db2.gz YCYTUWMAGFEDBA-UHFFFAOYSA-N -1 3 382.468 3.564 20 0 GHADHM CC(C)c1ccccc1OCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735933523 598489898 /nfs/dbraw/zinc/48/98/98/598489898.db2.gz YCYTUWMAGFEDBA-UHFFFAOYSA-N -1 3 382.468 3.564 20 0 GHADHM Cc1ccc(SCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(C)c1 ZINC000737368322 598490810 /nfs/dbraw/zinc/49/08/10/598490810.db2.gz IFXALXDALYJQHA-UHFFFAOYSA-N -1 3 384.509 3.771 20 0 GHADHM Cc1ccc(SCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(C)c1 ZINC000737368322 598490812 /nfs/dbraw/zinc/49/08/12/598490812.db2.gz IFXALXDALYJQHA-UHFFFAOYSA-N -1 3 384.509 3.771 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200510 598491955 /nfs/dbraw/zinc/49/19/55/598491955.db2.gz TYXWIJAUQIJOQE-RNUGCUGFSA-N -1 3 396.394 3.775 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200510 598491957 /nfs/dbraw/zinc/49/19/57/598491957.db2.gz TYXWIJAUQIJOQE-RNUGCUGFSA-N -1 3 396.394 3.775 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000736686063 598498406 /nfs/dbraw/zinc/49/84/06/598498406.db2.gz JBSZJUDTAJKJNH-INIZCTEOSA-N -1 3 377.492 3.970 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000736686063 598498408 /nfs/dbraw/zinc/49/84/08/598498408.db2.gz JBSZJUDTAJKJNH-INIZCTEOSA-N -1 3 377.492 3.970 20 0 GHADHM CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736470380 598506187 /nfs/dbraw/zinc/50/61/87/598506187.db2.gz FJSNVQPHWTXUKP-IBGZPJMESA-N -1 3 399.520 3.560 20 0 GHADHM CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736470380 598506188 /nfs/dbraw/zinc/50/61/88/598506188.db2.gz FJSNVQPHWTXUKP-IBGZPJMESA-N -1 3 399.520 3.560 20 0 GHADHM c1cc(-c2nc(CSCCOc3cccc(-c4nnn[n-]4)c3)cs2)co1 ZINC000738418478 598512029 /nfs/dbraw/zinc/51/20/29/598512029.db2.gz JJEBVPAYIAMLBJ-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM c1cc(-c2nc(CSCCOc3cccc(-c4nn[n-]n4)c3)cs2)co1 ZINC000738418478 598512030 /nfs/dbraw/zinc/51/20/30/598512030.db2.gz JJEBVPAYIAMLBJ-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)s1 ZINC000736495811 598515041 /nfs/dbraw/zinc/51/50/41/598515041.db2.gz QYIZLVGHQKLEQR-UHFFFAOYSA-N -1 3 376.511 3.769 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)s1 ZINC000736495811 598515043 /nfs/dbraw/zinc/51/50/43/598515043.db2.gz QYIZLVGHQKLEQR-UHFFFAOYSA-N -1 3 376.511 3.769 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC000736670347 598515295 /nfs/dbraw/zinc/51/52/95/598515295.db2.gz NAZLRIOPUUQXAP-NSHDSACASA-N -1 3 397.504 3.694 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000736670347 598515296 /nfs/dbraw/zinc/51/52/96/598515296.db2.gz NAZLRIOPUUQXAP-NSHDSACASA-N -1 3 397.504 3.694 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(Br)cs2)c1-c1nnn[n-]1 ZINC000736675755 598516028 /nfs/dbraw/zinc/51/60/28/598516028.db2.gz LVWCIFKYQJLPQQ-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(Br)cs2)c1-c1nn[n-]n1 ZINC000736675755 598516029 /nfs/dbraw/zinc/51/60/29/598516029.db2.gz LVWCIFKYQJLPQQ-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796539 598519244 /nfs/dbraw/zinc/51/92/44/598519244.db2.gz DCRJIMYBQBPYGX-WMZOPIPTSA-N -1 3 387.553 3.821 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796539 598519245 /nfs/dbraw/zinc/51/92/45/598519245.db2.gz DCRJIMYBQBPYGX-WMZOPIPTSA-N -1 3 387.553 3.821 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267214 598538391 /nfs/dbraw/zinc/53/83/91/598538391.db2.gz BDFUVKNIQLSASX-KBXCAEBGSA-N -1 3 395.463 3.689 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737271579 598539523 /nfs/dbraw/zinc/53/95/23/598539523.db2.gz WQIYSZOFEXCMHF-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1Cl ZINC000735735655 598542715 /nfs/dbraw/zinc/54/27/15/598542715.db2.gz PNYIDUOXKQVMLD-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1Cl ZINC000735735655 598542717 /nfs/dbraw/zinc/54/27/17/598542717.db2.gz PNYIDUOXKQVMLD-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)SCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735921150 598542721 /nfs/dbraw/zinc/54/27/21/598542721.db2.gz LWTQGFRPGCDYOL-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CC(C)SCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735921150 598542722 /nfs/dbraw/zinc/54/27/22/598542722.db2.gz LWTQGFRPGCDYOL-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1CCCC1 ZINC000737281443 598542864 /nfs/dbraw/zinc/54/28/64/598542864.db2.gz YXVQLKZQLHKZJV-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1CCCC1 ZINC000737281443 598542866 /nfs/dbraw/zinc/54/28/66/598542866.db2.gz YXVQLKZQLHKZJV-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM CCCCC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736441082 598543417 /nfs/dbraw/zinc/54/34/17/598543417.db2.gz MZBNAXYOXPOBEG-IBGZPJMESA-N -1 3 379.464 3.683 20 0 GHADHM CCCCC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736441082 598543419 /nfs/dbraw/zinc/54/34/19/598543419.db2.gz MZBNAXYOXPOBEG-IBGZPJMESA-N -1 3 379.464 3.683 20 0 GHADHM Cc1ccccc1CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737423617 598544294 /nfs/dbraw/zinc/54/42/94/598544294.db2.gz RQJFXUYQQXFFKA-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccccc1CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737423617 598544296 /nfs/dbraw/zinc/54/42/96/598544296.db2.gz RQJFXUYQQXFFKA-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM CCCOc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000736492368 598545347 /nfs/dbraw/zinc/54/53/47/598545347.db2.gz KVEOEYVZBDMPRH-UHFFFAOYSA-N -1 3 389.362 3.509 20 0 GHADHM CCCOc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000736492368 598545348 /nfs/dbraw/zinc/54/53/48/598545348.db2.gz KVEOEYVZBDMPRH-UHFFFAOYSA-N -1 3 389.362 3.509 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@@H]2CCCc3ccccc32)n1 ZINC000736603460 598546258 /nfs/dbraw/zinc/54/62/58/598546258.db2.gz POPMHUBNUZWSKX-AWEZNQCLSA-N -1 3 395.488 3.651 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@@H]2CCCc3ccccc32)n1 ZINC000736603460 598546259 /nfs/dbraw/zinc/54/62/59/598546259.db2.gz POPMHUBNUZWSKX-AWEZNQCLSA-N -1 3 395.488 3.651 20 0 GHADHM CSC[C@@H](C)C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000737179445 598553689 /nfs/dbraw/zinc/55/36/89/598553689.db2.gz KHPUBPYPYARTFJ-CQSZACIVSA-N -1 3 399.495 3.847 20 0 GHADHM CSC[C@@H](C)C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000737179445 598553690 /nfs/dbraw/zinc/55/36/90/598553690.db2.gz KHPUBPYPYARTFJ-CQSZACIVSA-N -1 3 399.495 3.847 20 0 GHADHM COc1ccccc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737138808 598554955 /nfs/dbraw/zinc/55/49/55/598554955.db2.gz OOZIZAGROMRDEE-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccccc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737138808 598554958 /nfs/dbraw/zinc/55/49/58/598554958.db2.gz OOZIZAGROMRDEE-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM Cc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2C)n1 ZINC000737536002 598555136 /nfs/dbraw/zinc/55/51/36/598555136.db2.gz CRRKRMYKNNEQHO-ZDUSSCGKSA-N -1 3 391.435 3.619 20 0 GHADHM Cc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2C)n1 ZINC000737536002 598555138 /nfs/dbraw/zinc/55/51/38/598555138.db2.gz CRRKRMYKNNEQHO-ZDUSSCGKSA-N -1 3 391.435 3.619 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(Cl)ccc1F ZINC000737024362 598564238 /nfs/dbraw/zinc/56/42/38/598564238.db2.gz HFZHXFOHJDUPTJ-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(Cl)ccc1F ZINC000737024362 598564239 /nfs/dbraw/zinc/56/42/39/598564239.db2.gz HFZHXFOHJDUPTJ-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735874618 598568277 /nfs/dbraw/zinc/56/82/77/598568277.db2.gz KFUBXDVPXUHPIH-SJORKVTESA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735874618 598568278 /nfs/dbraw/zinc/56/82/78/598568278.db2.gz KFUBXDVPXUHPIH-SJORKVTESA-N -1 3 397.429 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738144429 598569344 /nfs/dbraw/zinc/56/93/44/598569344.db2.gz LYQXHIFNUQDDTO-RYUDHWBXSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738144429 598569346 /nfs/dbraw/zinc/56/93/46/598569346.db2.gz LYQXHIFNUQDDTO-RYUDHWBXSA-N -1 3 375.766 3.541 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000736671388 598569681 /nfs/dbraw/zinc/56/96/81/598569681.db2.gz XIIYBWJCBGHRIL-NWDGAFQWSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000736671388 598569682 /nfs/dbraw/zinc/56/96/82/598569682.db2.gz XIIYBWJCBGHRIL-NWDGAFQWSA-N -1 3 389.431 3.819 20 0 GHADHM CCCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000736489757 598580174 /nfs/dbraw/zinc/58/01/74/598580174.db2.gz AGPYGLDYGQWTCS-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000736489757 598580175 /nfs/dbraw/zinc/58/01/75/598580175.db2.gz AGPYGLDYGQWTCS-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM COc1cc(Cl)c(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000737048240 598582070 /nfs/dbraw/zinc/58/20/70/598582070.db2.gz YGFKNEFBADWBKH-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM COc1cc(Cl)c(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000737048240 598582072 /nfs/dbraw/zinc/58/20/72/598582072.db2.gz YGFKNEFBADWBKH-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736172668 598584484 /nfs/dbraw/zinc/58/44/84/598584484.db2.gz BPRUWFLWSLFUGX-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736172668 598584485 /nfs/dbraw/zinc/58/44/85/598584485.db2.gz BPRUWFLWSLFUGX-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(CSc1ccnc2ccccc21)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737946255 598585886 /nfs/dbraw/zinc/58/58/86/598585886.db2.gz CZHRJMFDDKQKQF-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccnc2ccccc21)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737946255 598585888 /nfs/dbraw/zinc/58/58/88/598585888.db2.gz CZHRJMFDDKQKQF-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736302300 598592164 /nfs/dbraw/zinc/59/21/64/598592164.db2.gz GGQFDPCDSDKPTH-CRBCFSCISA-N -1 3 379.395 3.656 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736302300 598592165 /nfs/dbraw/zinc/59/21/65/598592165.db2.gz GGQFDPCDSDKPTH-CRBCFSCISA-N -1 3 379.395 3.656 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736119278 598600957 /nfs/dbraw/zinc/60/09/57/598600957.db2.gz XFMKEJFRYRTVDA-CQSZACIVSA-N -1 3 379.468 3.594 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736119278 598600959 /nfs/dbraw/zinc/60/09/59/598600959.db2.gz XFMKEJFRYRTVDA-CQSZACIVSA-N -1 3 379.468 3.594 20 0 GHADHM CC(C)c1ccc(-c2noc(CNc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000735923876 598602977 /nfs/dbraw/zinc/60/29/77/598602977.db2.gz XZCYGGJTTWELIC-UHFFFAOYSA-N -1 3 379.399 3.791 20 0 GHADHM CC(C)c1ccc(-c2noc(CNc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000735923876 598602979 /nfs/dbraw/zinc/60/29/79/598602979.db2.gz XZCYGGJTTWELIC-UHFFFAOYSA-N -1 3 379.399 3.791 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737423381 598607784 /nfs/dbraw/zinc/60/77/84/598607784.db2.gz PIHKEPNKGGCVAH-HNNXBMFYSA-N -1 3 378.480 3.557 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737423381 598607785 /nfs/dbraw/zinc/60/77/85/598607785.db2.gz PIHKEPNKGGCVAH-HNNXBMFYSA-N -1 3 378.480 3.557 20 0 GHADHM Cc1cc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)ccc1F ZINC000737225903 598611306 /nfs/dbraw/zinc/61/13/06/598611306.db2.gz KRMYWMYPVUNIJY-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)ccc1F ZINC000737225903 598611307 /nfs/dbraw/zinc/61/13/07/598611307.db2.gz KRMYWMYPVUNIJY-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@H]1CCSc2c(F)cccc21 ZINC000738165947 598634839 /nfs/dbraw/zinc/63/48/39/598634839.db2.gz ICGOQFOWLMFPRA-AWEZNQCLSA-N -1 3 388.403 3.504 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@H]1CCSc2c(F)cccc21 ZINC000738165947 598634841 /nfs/dbraw/zinc/63/48/41/598634841.db2.gz ICGOQFOWLMFPRA-AWEZNQCLSA-N -1 3 388.403 3.504 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1C ZINC000737361728 598643610 /nfs/dbraw/zinc/64/36/10/598643610.db2.gz YHZZRTGBUYPTDK-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1C ZINC000737361728 598643612 /nfs/dbraw/zinc/64/36/12/598643612.db2.gz YHZZRTGBUYPTDK-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737421157 598647031 /nfs/dbraw/zinc/64/70/31/598647031.db2.gz KKDCENREZLIMQS-INIZCTEOSA-N -1 3 379.464 3.602 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737421157 598647032 /nfs/dbraw/zinc/64/70/32/598647032.db2.gz KKDCENREZLIMQS-INIZCTEOSA-N -1 3 379.464 3.602 20 0 GHADHM CC(C)[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735712798 598647099 /nfs/dbraw/zinc/64/70/99/598647099.db2.gz UQPNBCYTWZJQMX-NRFANRHFSA-N -1 3 393.491 3.929 20 0 GHADHM CC(C)[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735712798 598647100 /nfs/dbraw/zinc/64/71/00/598647100.db2.gz UQPNBCYTWZJQMX-NRFANRHFSA-N -1 3 393.491 3.929 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N(C1CC1)C1CCCC1 ZINC000738270303 598650906 /nfs/dbraw/zinc/65/09/06/598650906.db2.gz QHFVYYMBMGQKIF-UHFFFAOYSA-N -1 3 390.447 3.601 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N(C1CC1)C1CCCC1 ZINC000738270303 598650908 /nfs/dbraw/zinc/65/09/08/598650908.db2.gz QHFVYYMBMGQKIF-UHFFFAOYSA-N -1 3 390.447 3.601 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504657 598652001 /nfs/dbraw/zinc/65/20/01/598652001.db2.gz CLKOECVPDDCMJB-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504657 598652003 /nfs/dbraw/zinc/65/20/03/598652003.db2.gz CLKOECVPDDCMJB-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM C[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736277910 598652607 /nfs/dbraw/zinc/65/26/07/598652607.db2.gz NOWLZWMDTNCRFX-INIZCTEOSA-N -1 3 391.475 3.956 20 0 GHADHM C[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736277910 598652608 /nfs/dbraw/zinc/65/26/08/598652608.db2.gz NOWLZWMDTNCRFX-INIZCTEOSA-N -1 3 391.475 3.956 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736411847 598653023 /nfs/dbraw/zinc/65/30/23/598653023.db2.gz PRQAXFJCWJJTJH-OAHLLOKOSA-N -1 3 385.518 3.556 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736411847 598653025 /nfs/dbraw/zinc/65/30/25/598653025.db2.gz PRQAXFJCWJJTJH-OAHLLOKOSA-N -1 3 385.518 3.556 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737375037 598655079 /nfs/dbraw/zinc/65/50/79/598655079.db2.gz BPERMBJQWWOXQL-FQEVSTJZSA-N -1 3 391.475 3.528 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737375037 598655080 /nfs/dbraw/zinc/65/50/80/598655080.db2.gz BPERMBJQWWOXQL-FQEVSTJZSA-N -1 3 391.475 3.528 20 0 GHADHM Cn1ccc2c1cccc2NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737614343 598657990 /nfs/dbraw/zinc/65/79/90/598657990.db2.gz WAZBMUNRIKOKCH-UHFFFAOYSA-N -1 3 390.447 3.546 20 0 GHADHM Cn1ccc2c1cccc2NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737614343 598657992 /nfs/dbraw/zinc/65/79/92/598657992.db2.gz WAZBMUNRIKOKCH-UHFFFAOYSA-N -1 3 390.447 3.546 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736224779 598662659 /nfs/dbraw/zinc/66/26/59/598662659.db2.gz NNXBEPLIDAULOH-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736224779 598662661 /nfs/dbraw/zinc/66/26/61/598662661.db2.gz NNXBEPLIDAULOH-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM CC[C@](C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313516 598664892 /nfs/dbraw/zinc/66/48/92/598664892.db2.gz FQOKYFSTDBLEOZ-QFIPXVFZSA-N -1 3 393.491 3.857 20 0 GHADHM CC[C@](C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313516 598664894 /nfs/dbraw/zinc/66/48/94/598664894.db2.gz FQOKYFSTDBLEOZ-QFIPXVFZSA-N -1 3 393.491 3.857 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000738381050 598666179 /nfs/dbraw/zinc/66/61/79/598666179.db2.gz FWRYSIRKRFDNFN-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000738381050 598666181 /nfs/dbraw/zinc/66/61/81/598666181.db2.gz FWRYSIRKRFDNFN-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCc2ccccc21 ZINC000736192317 598695913 /nfs/dbraw/zinc/69/59/13/598695913.db2.gz XZBMQYKVKDVIKO-ZDUSSCGKSA-N -1 3 397.479 3.607 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCc2ccccc21 ZINC000736192317 598695914 /nfs/dbraw/zinc/69/59/14/598695914.db2.gz XZBMQYKVKDVIKO-ZDUSSCGKSA-N -1 3 397.479 3.607 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1Cl ZINC000736190675 598696036 /nfs/dbraw/zinc/69/60/36/598696036.db2.gz GPISEKKSTHUBPH-JTQLQIEISA-N -1 3 391.859 3.920 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1Cl ZINC000736190675 598696038 /nfs/dbraw/zinc/69/60/38/598696038.db2.gz GPISEKKSTHUBPH-JTQLQIEISA-N -1 3 391.859 3.920 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000735857238 598699372 /nfs/dbraw/zinc/69/93/72/598699372.db2.gz PXCBWXGZDADYLM-UHFFFAOYSA-N -1 3 384.871 3.613 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000735857238 598699374 /nfs/dbraw/zinc/69/93/74/598699374.db2.gz PXCBWXGZDADYLM-UHFFFAOYSA-N -1 3 384.871 3.613 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cnc(C)nc1 ZINC000737492883 598703933 /nfs/dbraw/zinc/70/39/33/598703933.db2.gz VHTQOSRZSBZKHA-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cnc(C)nc1 ZINC000737492883 598703934 /nfs/dbraw/zinc/70/39/34/598703934.db2.gz VHTQOSRZSBZKHA-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737848223 598707729 /nfs/dbraw/zinc/70/77/29/598707729.db2.gz PPXZOCBVCIMFEC-UHFFFAOYSA-N -1 3 392.390 3.671 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737848223 598707731 /nfs/dbraw/zinc/70/77/31/598707731.db2.gz PPXZOCBVCIMFEC-UHFFFAOYSA-N -1 3 392.390 3.671 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737836365 598709602 /nfs/dbraw/zinc/70/96/02/598709602.db2.gz MHPQTMVRNZBCAJ-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737836365 598709603 /nfs/dbraw/zinc/70/96/03/598709603.db2.gz MHPQTMVRNZBCAJ-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000735670305 598715747 /nfs/dbraw/zinc/71/57/47/598715747.db2.gz MTDMICQWPARPNN-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000735670305 598715749 /nfs/dbraw/zinc/71/57/49/598715749.db2.gz MTDMICQWPARPNN-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM Brc1cc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cs1 ZINC000735368889 598721749 /nfs/dbraw/zinc/72/17/49/598721749.db2.gz ORFVBLWWCSENCQ-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM Brc1cc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cs1 ZINC000735368889 598721751 /nfs/dbraw/zinc/72/17/51/598721751.db2.gz ORFVBLWWCSENCQ-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM Clc1ccc2cccnc2c1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737574067 598722968 /nfs/dbraw/zinc/72/29/68/598722968.db2.gz PNTUKYNCLVQDIY-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM Clc1ccc2cccnc2c1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737574067 598722969 /nfs/dbraw/zinc/72/29/69/598722969.db2.gz PNTUKYNCLVQDIY-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737062633 598730627 /nfs/dbraw/zinc/73/06/27/598730627.db2.gz LBBJHJFAJMOKQZ-AWEZNQCLSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737062633 598730628 /nfs/dbraw/zinc/73/06/28/598730628.db2.gz LBBJHJFAJMOKQZ-AWEZNQCLSA-N -1 3 398.854 3.550 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N(CC(C)C)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC000737407353 598736913 /nfs/dbraw/zinc/73/69/13/598736913.db2.gz DWCWWHUMNIKRQC-UHFFFAOYSA-N -1 3 388.475 3.888 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N(CC(C)C)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC000737407353 598736914 /nfs/dbraw/zinc/73/69/14/598736914.db2.gz DWCWWHUMNIKRQC-UHFFFAOYSA-N -1 3 388.475 3.888 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736304805 598737300 /nfs/dbraw/zinc/73/73/00/598737300.db2.gz QSWLYAUXXQFJKQ-VAWYXSNFSA-N -1 3 385.374 3.900 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736304805 598737302 /nfs/dbraw/zinc/73/73/02/598737302.db2.gz QSWLYAUXXQFJKQ-VAWYXSNFSA-N -1 3 385.374 3.900 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccccc1 ZINC000736628570 598741590 /nfs/dbraw/zinc/74/15/90/598741590.db2.gz PMSBUHFVLWYFTO-GFCCVEGCSA-N -1 3 386.839 3.703 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)Cc1ccccc1 ZINC000736628570 598741592 /nfs/dbraw/zinc/74/15/92/598741592.db2.gz PMSBUHFVLWYFTO-GFCCVEGCSA-N -1 3 386.839 3.703 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736354150 598762898 /nfs/dbraw/zinc/76/28/98/598762898.db2.gz RSNDJUPBKQWILN-MRXNPFEDSA-N -1 3 379.464 3.861 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736354150 598762900 /nfs/dbraw/zinc/76/29/00/598762900.db2.gz RSNDJUPBKQWILN-MRXNPFEDSA-N -1 3 379.464 3.861 20 0 GHADHM Cc1ncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000737492441 598764210 /nfs/dbraw/zinc/76/42/10/598764210.db2.gz SKFNKESEKIXPQR-KHPPLWFESA-N -1 3 389.440 3.917 20 0 GHADHM Cc1ncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000737492441 598764212 /nfs/dbraw/zinc/76/42/12/598764212.db2.gz SKFNKESEKIXPQR-KHPPLWFESA-N -1 3 389.440 3.917 20 0 GHADHM Fc1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c(F)c1 ZINC000737650339 598774245 /nfs/dbraw/zinc/77/42/45/598774245.db2.gz NXUJMRQLNACRFQ-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM Fc1ccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c(F)c1 ZINC000737650339 598774246 /nfs/dbraw/zinc/77/42/46/598774246.db2.gz NXUJMRQLNACRFQ-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737420168 598778881 /nfs/dbraw/zinc/77/88/81/598778881.db2.gz HCVGJMXPEGZQBQ-IBGZPJMESA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737420168 598778882 /nfs/dbraw/zinc/77/88/82/598778882.db2.gz HCVGJMXPEGZQBQ-IBGZPJMESA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000737358212 598780869 /nfs/dbraw/zinc/78/08/69/598780869.db2.gz ZZAOPRPJONBKHB-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCS1 ZINC000736280893 598781778 /nfs/dbraw/zinc/78/17/78/598781778.db2.gz QBKJACIHNUPBTR-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCS1 ZINC000736280893 598781781 /nfs/dbraw/zinc/78/17/81/598781781.db2.gz QBKJACIHNUPBTR-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1F)C(C)C ZINC000736636507 598782074 /nfs/dbraw/zinc/78/20/74/598782074.db2.gz LAFVHZKDMLNCAP-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1F)C(C)C ZINC000736636507 598782076 /nfs/dbraw/zinc/78/20/76/598782076.db2.gz LAFVHZKDMLNCAP-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736211659 598782210 /nfs/dbraw/zinc/78/22/10/598782210.db2.gz QVLNXRVTEKKZIS-AWEZNQCLSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736211659 598782211 /nfs/dbraw/zinc/78/22/11/598782211.db2.gz QVLNXRVTEKKZIS-AWEZNQCLSA-N -1 3 378.436 3.827 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000736259686 598789658 /nfs/dbraw/zinc/78/96/58/598789658.db2.gz GBGGQPNNCXQURL-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000736259686 598789659 /nfs/dbraw/zinc/78/96/59/598789659.db2.gz GBGGQPNNCXQURL-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735679569 598789795 /nfs/dbraw/zinc/78/97/95/598789795.db2.gz KSQYRNIZAQQJFX-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735679569 598789796 /nfs/dbraw/zinc/78/97/96/598789796.db2.gz KSQYRNIZAQQJFX-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CSc1ccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737191760 598791588 /nfs/dbraw/zinc/79/15/88/598791588.db2.gz VHAWVFQDEJBOOW-GOSISDBHSA-N -1 3 397.504 3.655 20 0 GHADHM CSc1ccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737191760 598791589 /nfs/dbraw/zinc/79/15/89/598791589.db2.gz VHAWVFQDEJBOOW-GOSISDBHSA-N -1 3 397.504 3.655 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737652447 598796367 /nfs/dbraw/zinc/79/63/67/598796367.db2.gz XPYHLFVAZZHGGH-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737652447 598796374 /nfs/dbraw/zinc/79/63/74/598796374.db2.gz XPYHLFVAZZHGGH-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000738150214 598803773 /nfs/dbraw/zinc/80/37/73/598803773.db2.gz BXIPQDPDETYZMC-UHFFFAOYSA-N -1 3 382.855 3.756 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000738150214 598803774 /nfs/dbraw/zinc/80/37/74/598803774.db2.gz BXIPQDPDETYZMC-UHFFFAOYSA-N -1 3 382.855 3.756 20 0 GHADHM COc1ccc(C)cc1NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737078174 599329162 /nfs/dbraw/zinc/32/91/62/599329162.db2.gz VMEDSZLTDXUNIQ-CYBMUJFWSA-N -1 3 383.477 3.617 20 0 GHADHM COc1ccc(C)cc1NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737078174 599329167 /nfs/dbraw/zinc/32/91/67/599329167.db2.gz VMEDSZLTDXUNIQ-CYBMUJFWSA-N -1 3 383.477 3.617 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000736188551 599330567 /nfs/dbraw/zinc/33/05/67/599330567.db2.gz KZNWCRFGCURWGE-LSDHHAIUSA-N -1 3 381.505 3.708 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000736188551 599330568 /nfs/dbraw/zinc/33/05/68/599330568.db2.gz KZNWCRFGCURWGE-LSDHHAIUSA-N -1 3 381.505 3.708 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821430702 599349877 /nfs/dbraw/zinc/34/98/77/599349877.db2.gz DSJNRPDNRYDCLS-MRXNPFEDSA-N -1 3 397.504 3.625 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821430702 599349879 /nfs/dbraw/zinc/34/98/79/599349879.db2.gz DSJNRPDNRYDCLS-MRXNPFEDSA-N -1 3 397.504 3.625 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737215875 599373640 /nfs/dbraw/zinc/37/36/40/599373640.db2.gz MQEZZLOAMJVCDF-UHFFFAOYSA-N -1 3 399.882 3.645 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737215875 599373643 /nfs/dbraw/zinc/37/36/43/599373643.db2.gz MQEZZLOAMJVCDF-UHFFFAOYSA-N -1 3 399.882 3.645 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736314060 599373719 /nfs/dbraw/zinc/37/37/19/599373719.db2.gz KPRNOUPGINXRAJ-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736314060 599373723 /nfs/dbraw/zinc/37/37/23/599373723.db2.gz KPRNOUPGINXRAJ-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738198209 599387866 /nfs/dbraw/zinc/38/78/66/599387866.db2.gz OKLCUIOBNMPRBW-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738198209 599387869 /nfs/dbraw/zinc/38/78/69/599387869.db2.gz OKLCUIOBNMPRBW-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213834 599389135 /nfs/dbraw/zinc/38/91/35/599389135.db2.gz CKZAPBJKIRTNJC-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1OCc1ccccc1 ZINC000821994906 599412917 /nfs/dbraw/zinc/41/29/17/599412917.db2.gz PXLMTSMRCTXYMV-OAHLLOKOSA-N -1 3 375.432 3.890 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1OCc1ccccc1 ZINC000821994906 599412920 /nfs/dbraw/zinc/41/29/20/599412920.db2.gz PXLMTSMRCTXYMV-OAHLLOKOSA-N -1 3 375.432 3.890 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccc(C)cc2)cc1 ZINC000821777712 599416629 /nfs/dbraw/zinc/41/66/29/599416629.db2.gz LOWGQVQHOOUAHR-FQEVSTJZSA-N -1 3 375.432 3.656 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccc(C)cc2)cc1 ZINC000821777712 599416632 /nfs/dbraw/zinc/41/66/32/599416632.db2.gz LOWGQVQHOOUAHR-FQEVSTJZSA-N -1 3 375.432 3.656 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820358319 599421969 /nfs/dbraw/zinc/42/19/69/599421969.db2.gz MIHJJOUBIFJPGU-GTNSWQLSSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820358319 599421972 /nfs/dbraw/zinc/42/19/72/599421972.db2.gz MIHJJOUBIFJPGU-GTNSWQLSSA-N -1 3 382.855 3.568 20 0 GHADHM Fc1ccc(-c2nc(CCNc3cc(Cl)ccc3-c3nnn[n-]3)co2)cc1 ZINC000737654041 599424926 /nfs/dbraw/zinc/42/49/26/599424926.db2.gz WZQJJKUSAIIYOJ-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM Fc1ccc(-c2nc(CCNc3cc(Cl)ccc3-c3nn[n-]n3)co2)cc1 ZINC000737654041 599424927 /nfs/dbraw/zinc/42/49/27/599424927.db2.gz WZQJJKUSAIIYOJ-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821128712 599425395 /nfs/dbraw/zinc/42/53/95/599425395.db2.gz ZYKXKPNXSCHKOA-LSDHHAIUSA-N -1 3 394.479 3.777 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821128712 599425398 /nfs/dbraw/zinc/42/53/98/599425398.db2.gz ZYKXKPNXSCHKOA-LSDHHAIUSA-N -1 3 394.479 3.777 20 0 GHADHM CCc1noc(-c2ccc(CCNc3cc(Cl)ccc3-c3nnn[n-]3)cc2)n1 ZINC000736710537 599427002 /nfs/dbraw/zinc/42/70/02/599427002.db2.gz IGBIAHVOSACDPH-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM CCc1noc(-c2ccc(CCNc3cc(Cl)ccc3-c3nn[n-]n3)cc2)n1 ZINC000736710537 599427003 /nfs/dbraw/zinc/42/70/03/599427003.db2.gz IGBIAHVOSACDPH-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821020348 599434571 /nfs/dbraw/zinc/43/45/71/599434571.db2.gz BAYXVUSUAMLKAL-DNVCBOLYSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821020348 599434572 /nfs/dbraw/zinc/43/45/72/599434572.db2.gz BAYXVUSUAMLKAL-DNVCBOLYSA-N -1 3 378.480 3.638 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000738385203 599441274 /nfs/dbraw/zinc/44/12/74/599441274.db2.gz XANJQAJHHSGGDA-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000738385203 599441276 /nfs/dbraw/zinc/44/12/76/599441276.db2.gz XANJQAJHHSGGDA-AWEZNQCLSA-N -1 3 384.654 3.972 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820561943 599460935 /nfs/dbraw/zinc/46/09/35/599460935.db2.gz BWKQPHKZVUDBMX-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820561943 599460938 /nfs/dbraw/zinc/46/09/38/599460938.db2.gz BWKQPHKZVUDBMX-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820555632 599465102 /nfs/dbraw/zinc/46/51/02/599465102.db2.gz ONFNENRACFMUCC-GFCCVEGCSA-N -1 3 394.410 3.655 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820555632 599465105 /nfs/dbraw/zinc/46/51/05/599465105.db2.gz ONFNENRACFMUCC-GFCCVEGCSA-N -1 3 394.410 3.655 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)s1 ZINC000820919433 599466165 /nfs/dbraw/zinc/46/61/65/599466165.db2.gz BSUNDDDUSWVBJH-LBPRGKRZSA-N -1 3 394.863 3.671 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)s1 ZINC000820919433 599466167 /nfs/dbraw/zinc/46/61/67/599466167.db2.gz BSUNDDDUSWVBJH-LBPRGKRZSA-N -1 3 394.863 3.671 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737441456 599469023 /nfs/dbraw/zinc/46/90/23/599469023.db2.gz GDOZLRKYHKKLCY-GOSISDBHSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737441456 599469026 /nfs/dbraw/zinc/46/90/26/599469026.db2.gz GDOZLRKYHKKLCY-GOSISDBHSA-N -1 3 389.484 3.950 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820091832 599479852 /nfs/dbraw/zinc/47/98/52/599479852.db2.gz BDRYJXKNCXAGEM-OAHLLOKOSA-N -1 3 396.470 3.935 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820091832 599479853 /nfs/dbraw/zinc/47/98/53/599479853.db2.gz BDRYJXKNCXAGEM-OAHLLOKOSA-N -1 3 396.470 3.935 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820920202 599484264 /nfs/dbraw/zinc/48/42/64/599484264.db2.gz MXHGICBQXFNMIV-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820920202 599484266 /nfs/dbraw/zinc/48/42/66/599484266.db2.gz MXHGICBQXFNMIV-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM CC(C)COC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820097074 599487321 /nfs/dbraw/zinc/48/73/21/599487321.db2.gz JZWHTVFWSIZWGB-UHFFFAOYSA-N -1 3 386.887 3.710 20 0 GHADHM CC(C)COC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820097074 599487324 /nfs/dbraw/zinc/48/73/24/599487324.db2.gz JZWHTVFWSIZWGB-UHFFFAOYSA-N -1 3 386.887 3.710 20 0 GHADHM Clc1ccc([C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)cc1 ZINC000822573675 599489381 /nfs/dbraw/zinc/48/93/81/599489381.db2.gz CVRBTEQUNJECQF-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)cc1 ZINC000822573675 599489384 /nfs/dbraw/zinc/48/93/84/599489384.db2.gz CVRBTEQUNJECQF-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737177042 599501930 /nfs/dbraw/zinc/50/19/30/599501930.db2.gz QMRYZMKTTLVULN-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737177042 599501933 /nfs/dbraw/zinc/50/19/33/599501933.db2.gz QMRYZMKTTLVULN-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@@H]1CC=CCC1 ZINC000738174457 599505460 /nfs/dbraw/zinc/50/54/60/599505460.db2.gz ZLQPVLSVMYFFKO-OAHLLOKOSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@@H]1CC=CCC1 ZINC000738174457 599505463 /nfs/dbraw/zinc/50/54/63/599505463.db2.gz ZLQPVLSVMYFFKO-OAHLLOKOSA-N -1 3 376.420 3.889 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820881891 599507021 /nfs/dbraw/zinc/50/70/21/599507021.db2.gz DZIZNXGCYHOXRP-LSDHHAIUSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820881891 599507024 /nfs/dbraw/zinc/50/70/24/599507024.db2.gz DZIZNXGCYHOXRP-LSDHHAIUSA-N -1 3 379.464 3.636 20 0 GHADHM COc1cccc(C2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1 ZINC000821863950 599508384 /nfs/dbraw/zinc/50/83/84/599508384.db2.gz RVEHWZQBWSQYSU-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1cccc(C2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1 ZINC000821863950 599508386 /nfs/dbraw/zinc/50/83/86/599508386.db2.gz RVEHWZQBWSQYSU-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM Cc1ccc(-c2nc(COC(=O)c3ccc(-c4nnn[n-]4)cc3C)cs2)o1 ZINC000826273882 607381942 /nfs/dbraw/zinc/38/19/42/607381942.db2.gz YJRPSBHRFGWMDW-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1ccc(-c2nc(COC(=O)c3ccc(-c4nn[n-]n4)cc3C)cs2)o1 ZINC000826273882 607381944 /nfs/dbraw/zinc/38/19/44/607381944.db2.gz YJRPSBHRFGWMDW-UHFFFAOYSA-N -1 3 381.417 3.557 20 0 GHADHM Cc1cc2occ(CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2cc1C ZINC000822213018 599520349 /nfs/dbraw/zinc/52/03/49/599520349.db2.gz QXSYHGYNSYYAQE-AWEZNQCLSA-N -1 3 375.432 3.650 20 0 GHADHM Cc1cc2occ(CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2cc1C ZINC000822213018 599520351 /nfs/dbraw/zinc/52/03/51/599520351.db2.gz QXSYHGYNSYYAQE-AWEZNQCLSA-N -1 3 375.432 3.650 20 0 GHADHM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736830277 599520418 /nfs/dbraw/zinc/52/04/18/599520418.db2.gz SCOHUXCKHYPPSG-UHFFFAOYSA-N -1 3 399.380 3.708 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822229488 599527322 /nfs/dbraw/zinc/52/73/22/599527322.db2.gz VTCLTLKSLQVFSC-HZPDHXFCSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822229488 599527325 /nfs/dbraw/zinc/52/73/25/599527325.db2.gz VTCLTLKSLQVFSC-HZPDHXFCSA-N -1 3 393.491 3.943 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000735828862 599541000 /nfs/dbraw/zinc/54/10/00/599541000.db2.gz ADMDVSFWXBZHRP-INIZCTEOSA-N -1 3 395.482 3.869 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000735828862 599541003 /nfs/dbraw/zinc/54/10/03/599541003.db2.gz ADMDVSFWXBZHRP-INIZCTEOSA-N -1 3 395.482 3.869 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1coc(-c2ccccc2)n1 ZINC000735873170 599541230 /nfs/dbraw/zinc/54/12/30/599541230.db2.gz AOJMXRPZJFAHJM-UHFFFAOYSA-N -1 3 388.431 3.573 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1coc(-c2ccccc2)n1 ZINC000735873170 599541232 /nfs/dbraw/zinc/54/12/32/599541232.db2.gz AOJMXRPZJFAHJM-UHFFFAOYSA-N -1 3 388.431 3.573 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cccs1 ZINC000735561028 599541261 /nfs/dbraw/zinc/54/12/61/599541261.db2.gz UQBZNKKZVSPKMG-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccs1 ZINC000735561028 599541262 /nfs/dbraw/zinc/54/12/62/599541262.db2.gz UQBZNKKZVSPKMG-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333836 599541685 /nfs/dbraw/zinc/54/16/85/599541685.db2.gz HEEZSVIPTXFGDH-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333836 599541689 /nfs/dbraw/zinc/54/16/89/599541689.db2.gz HEEZSVIPTXFGDH-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823699128 599548143 /nfs/dbraw/zinc/54/81/43/599548143.db2.gz SRIJZUWGCAWPOE-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@@H](c1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823699128 599548146 /nfs/dbraw/zinc/54/81/46/599548146.db2.gz SRIJZUWGCAWPOE-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cccc(COC2CCOCC2)c1 ZINC000822586013 599551140 /nfs/dbraw/zinc/55/11/40/599551140.db2.gz QOTWLBMDPILHRU-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cccc(COC2CCOCC2)c1 ZINC000822586013 599551141 /nfs/dbraw/zinc/55/11/41/599551141.db2.gz QOTWLBMDPILHRU-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000820741885 599554602 /nfs/dbraw/zinc/55/46/02/599554602.db2.gz GIQUXUSFJIPZEX-CXAGYDPISA-N -1 3 379.468 3.648 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000820741885 599554605 /nfs/dbraw/zinc/55/46/05/599554605.db2.gz GIQUXUSFJIPZEX-CXAGYDPISA-N -1 3 379.468 3.648 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)no1 ZINC000822208359 599555764 /nfs/dbraw/zinc/55/57/64/599555764.db2.gz OKGBPPFHOHTDPD-UHFFFAOYSA-N -1 3 395.354 3.739 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)no1 ZINC000822208359 599555767 /nfs/dbraw/zinc/55/57/67/599555767.db2.gz OKGBPPFHOHTDPD-UHFFFAOYSA-N -1 3 395.354 3.739 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822715020 599562604 /nfs/dbraw/zinc/56/26/04/599562604.db2.gz ZVSLDDXKDFCXRJ-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822715020 599562607 /nfs/dbraw/zinc/56/26/07/599562607.db2.gz ZVSLDDXKDFCXRJ-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736827882 599563151 /nfs/dbraw/zinc/56/31/51/599563151.db2.gz JEAPWJBZFNVSKA-UHFFFAOYSA-N -1 3 384.443 3.883 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736067351 599563540 /nfs/dbraw/zinc/56/35/40/599563540.db2.gz WOUPNKCPWAZFNG-AWEZNQCLSA-N -1 3 388.431 3.564 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1cccc(Cl)c1 ZINC000821221797 599564461 /nfs/dbraw/zinc/56/44/61/599564461.db2.gz MQKQUVSSBHJISR-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1cccc(Cl)c1 ZINC000821221797 599564463 /nfs/dbraw/zinc/56/44/63/599564463.db2.gz MQKQUVSSBHJISR-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2cccc(F)c2)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230359 599567023 /nfs/dbraw/zinc/56/70/23/599567023.db2.gz ICKKQXBSJVBFCZ-ZDUSSCGKSA-N -1 3 393.426 3.639 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H](C)c1ccc(F)cc1 ZINC000821230174 599567104 /nfs/dbraw/zinc/56/71/04/599567104.db2.gz DTYKXVAWKAMVGI-CYBMUJFWSA-N -1 3 393.426 3.639 20 0 GHADHM CC[C@@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736392265 599598760 /nfs/dbraw/zinc/59/87/60/599598760.db2.gz PZNRUEZSKFMCMY-QGZVFWFLSA-N -1 3 385.468 3.507 20 0 GHADHM CC[C@@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736392265 599598762 /nfs/dbraw/zinc/59/87/62/599598762.db2.gz PZNRUEZSKFMCMY-QGZVFWFLSA-N -1 3 385.468 3.507 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736055634 599606710 /nfs/dbraw/zinc/60/67/10/599606710.db2.gz HUTQVBKMCBMCNM-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736055634 599606711 /nfs/dbraw/zinc/60/67/11/599606711.db2.gz HUTQVBKMCBMCNM-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000819883221 599622802 /nfs/dbraw/zinc/62/28/02/599622802.db2.gz FZTZNNIADWYCPW-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000819883221 599622803 /nfs/dbraw/zinc/62/28/03/599622803.db2.gz FZTZNNIADWYCPW-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000821134080 599628610 /nfs/dbraw/zinc/62/86/10/599628610.db2.gz NGNBBRDFKGQQPR-UHFFFAOYSA-N -1 3 397.504 3.777 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000821134080 599628611 /nfs/dbraw/zinc/62/86/11/599628611.db2.gz NGNBBRDFKGQQPR-UHFFFAOYSA-N -1 3 397.504 3.777 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820937973 599629468 /nfs/dbraw/zinc/62/94/68/599629468.db2.gz GAAZHEAQFZVMER-FFSVYQOJSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820937973 599629469 /nfs/dbraw/zinc/62/94/69/599629469.db2.gz GAAZHEAQFZVMER-FFSVYQOJSA-N -1 3 377.876 3.833 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)c(Br)c2)s1 ZINC000821465799 599630661 /nfs/dbraw/zinc/63/06/61/599630661.db2.gz PWMXBJJGFYJRFP-UHFFFAOYSA-N -1 3 396.245 3.645 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)c(Br)c2)s1 ZINC000821465799 599630662 /nfs/dbraw/zinc/63/06/62/599630662.db2.gz PWMXBJJGFYJRFP-UHFFFAOYSA-N -1 3 396.245 3.645 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821143351 599632017 /nfs/dbraw/zinc/63/20/17/599632017.db2.gz SDJBKEYNJODDBA-UHFFFAOYSA-N -1 3 396.398 3.855 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821143351 599632018 /nfs/dbraw/zinc/63/20/18/599632018.db2.gz SDJBKEYNJODDBA-UHFFFAOYSA-N -1 3 396.398 3.855 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820299854 599633297 /nfs/dbraw/zinc/63/32/97/599633297.db2.gz LOPZZRFFNAVSMJ-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820299854 599633298 /nfs/dbraw/zinc/63/32/98/599633298.db2.gz LOPZZRFFNAVSMJ-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM Cc1cccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822327562 599633601 /nfs/dbraw/zinc/63/36/01/599633601.db2.gz IFACBAWTYZZQMK-UHFFFAOYSA-N -1 3 391.353 3.602 20 0 GHADHM Cc1cccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822327562 599633602 /nfs/dbraw/zinc/63/36/02/599633602.db2.gz IFACBAWTYZZQMK-UHFFFAOYSA-N -1 3 391.353 3.602 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822231962 599633649 /nfs/dbraw/zinc/63/36/49/599633649.db2.gz OIZLYOZYUOURDU-UHFFFAOYSA-N -1 3 375.354 3.684 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822231962 599633650 /nfs/dbraw/zinc/63/36/50/599633650.db2.gz OIZLYOZYUOURDU-UHFFFAOYSA-N -1 3 375.354 3.684 20 0 GHADHM Cc1ccc(N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C(C)C)cc1 ZINC000822241518 599636564 /nfs/dbraw/zinc/63/65/64/599636564.db2.gz YNTUBJPLMGYFHO-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1ccc(N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C(C)C)cc1 ZINC000822241518 599636565 /nfs/dbraw/zinc/63/65/65/599636565.db2.gz YNTUBJPLMGYFHO-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)o1 ZINC000822389301 599638989 /nfs/dbraw/zinc/63/89/89/599638989.db2.gz RKEUJFOMKJHSKG-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)o1 ZINC000822389301 599638990 /nfs/dbraw/zinc/63/89/90/599638990.db2.gz RKEUJFOMKJHSKG-UHFFFAOYSA-N -1 3 378.411 3.817 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820392701 599647713 /nfs/dbraw/zinc/64/77/13/599647713.db2.gz ZCQFMSFHBCVEDJ-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820392701 599647714 /nfs/dbraw/zinc/64/77/14/599647714.db2.gz ZCQFMSFHBCVEDJ-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820966056 599655656 /nfs/dbraw/zinc/65/56/56/599655656.db2.gz BQTHCXCYBUYHSK-CRAIPNDOSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820966056 599655657 /nfs/dbraw/zinc/65/56/57/599655657.db2.gz BQTHCXCYBUYHSK-CRAIPNDOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000819883813 599665590 /nfs/dbraw/zinc/66/55/90/599665590.db2.gz ODSAMSBGSRKVOP-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000819883813 599665591 /nfs/dbraw/zinc/66/55/91/599665591.db2.gz ODSAMSBGSRKVOP-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821480449 599668218 /nfs/dbraw/zinc/66/82/18/599668218.db2.gz CHHRIPHRTDSFMV-KBXCAEBGSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821480449 599668219 /nfs/dbraw/zinc/66/82/19/599668219.db2.gz CHHRIPHRTDSFMV-KBXCAEBGSA-N -1 3 394.479 3.705 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820359937 599674152 /nfs/dbraw/zinc/67/41/52/599674152.db2.gz VRZJJLAKTDVNNQ-ZDUSSCGKSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820359937 599674153 /nfs/dbraw/zinc/67/41/53/599674153.db2.gz VRZJJLAKTDVNNQ-ZDUSSCGKSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349332 599680989 /nfs/dbraw/zinc/68/09/89/599680989.db2.gz HKPPJFVENDQBDS-YOEHRIQHSA-N -1 3 380.452 3.848 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349332 599680990 /nfs/dbraw/zinc/68/09/90/599680990.db2.gz HKPPJFVENDQBDS-YOEHRIQHSA-N -1 3 380.452 3.848 20 0 GHADHM CCC(CC)(CNc1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000820887891 599686631 /nfs/dbraw/zinc/68/66/31/599686631.db2.gz WPHWKZRJADBTNQ-UHFFFAOYSA-N -1 3 378.452 3.501 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccncc1Cl ZINC000823383584 599690491 /nfs/dbraw/zinc/69/04/91/599690491.db2.gz VISVKELEMVNYQE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccncc1Cl ZINC000823383584 599690492 /nfs/dbraw/zinc/69/04/92/599690492.db2.gz VISVKELEMVNYQE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Brc1ccc(-c2cnc(CNc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000819688565 599691381 /nfs/dbraw/zinc/69/13/81/599691381.db2.gz JTCHJUZNZICHBZ-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821048711 599697654 /nfs/dbraw/zinc/69/76/54/599697654.db2.gz GEMIVIFUGDYFOC-KRWDZBQOSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821048711 599697655 /nfs/dbraw/zinc/69/76/55/599697655.db2.gz GEMIVIFUGDYFOC-KRWDZBQOSA-N -1 3 395.463 3.929 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccnc1 ZINC000819867593 599700283 /nfs/dbraw/zinc/70/02/83/599700283.db2.gz ULWNYYNWAVBHGP-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccnc1 ZINC000819867593 599700284 /nfs/dbraw/zinc/70/02/84/599700284.db2.gz ULWNYYNWAVBHGP-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736722753 599717761 /nfs/dbraw/zinc/71/77/61/599717761.db2.gz DOGHLOVCTADQEP-CJNGLKHVSA-N -1 3 386.427 3.873 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000826252114 607390267 /nfs/dbraw/zinc/39/02/67/607390267.db2.gz PKNSBDQSMZFBQQ-UHFFFAOYSA-N -1 3 391.214 3.522 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000826252114 607390269 /nfs/dbraw/zinc/39/02/69/607390269.db2.gz PKNSBDQSMZFBQQ-UHFFFAOYSA-N -1 3 391.214 3.522 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821882822 607397592 /nfs/dbraw/zinc/39/75/92/607397592.db2.gz LNSNHMMSUMZHIG-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821882822 607397594 /nfs/dbraw/zinc/39/75/94/607397594.db2.gz LNSNHMMSUMZHIG-CQSZACIVSA-N -1 3 395.463 3.795 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1-c1nnn[n-]1 ZINC000820164031 607398215 /nfs/dbraw/zinc/39/82/15/607398215.db2.gz AVNQKVNIBFFMKG-UHFFFAOYSA-N -1 3 395.394 3.720 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1-c1nn[n-]n1 ZINC000820164031 607398217 /nfs/dbraw/zinc/39/82/17/607398217.db2.gz AVNQKVNIBFFMKG-UHFFFAOYSA-N -1 3 395.394 3.720 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822463036 607401646 /nfs/dbraw/zinc/40/16/46/607401646.db2.gz NLDHHEYLNWCVBZ-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822463036 607401649 /nfs/dbraw/zinc/40/16/49/607401649.db2.gz NLDHHEYLNWCVBZ-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM CS[C@@H]1CCCCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821956026 607405459 /nfs/dbraw/zinc/40/54/59/607405459.db2.gz FQTCKMYGGDZFHY-OAHLLOKOSA-N -1 3 393.516 3.891 20 0 GHADHM CS[C@@H]1CCCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000821956026 607405460 /nfs/dbraw/zinc/40/54/60/607405460.db2.gz FQTCKMYGGDZFHY-OAHLLOKOSA-N -1 3 393.516 3.891 20 0 GHADHM COc1cccc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)c1 ZINC000738107257 599936327 /nfs/dbraw/zinc/93/63/27/599936327.db2.gz WPJASNPFHRYTJA-UHFFFAOYSA-N -1 3 382.485 3.930 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826254278 607410352 /nfs/dbraw/zinc/41/03/52/607410352.db2.gz CLXPNUYMDQSTTK-UHFFFAOYSA-N -1 3 393.378 3.635 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826254278 607410353 /nfs/dbraw/zinc/41/03/53/607410353.db2.gz CLXPNUYMDQSTTK-UHFFFAOYSA-N -1 3 393.378 3.635 20 0 GHADHM C[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC000736662912 600046722 /nfs/dbraw/zinc/04/67/22/600046722.db2.gz UTKKGBSMHJCAIW-AOMKIAJQSA-N -1 3 388.467 3.529 20 0 GHADHM CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c(C(=O)[O-])c1 ZINC000736514553 600073816 /nfs/dbraw/zinc/07/38/16/600073816.db2.gz VYOJTRVCLQKDDM-GOSISDBHSA-N -1 3 381.476 3.754 20 0 GHADHM O=C([O-])c1ccc(-c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)cc1 ZINC000740101690 600111685 /nfs/dbraw/zinc/11/16/85/600111685.db2.gz ROMHGLTXKLRQPQ-QGZVFWFLSA-N -1 3 381.407 3.954 20 0 GHADHM Cc1cc2occ(CC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c2cc1C ZINC000826273084 607425847 /nfs/dbraw/zinc/42/58/47/607425847.db2.gz OOKXIFBCRBEKRJ-UHFFFAOYSA-N -1 3 387.443 3.578 20 0 GHADHM Cc1cc2occ(CC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c2cc1C ZINC000826273084 607425849 /nfs/dbraw/zinc/42/58/49/607425849.db2.gz OOKXIFBCRBEKRJ-UHFFFAOYSA-N -1 3 387.443 3.578 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)CC2)CC1 ZINC000736768823 600183202 /nfs/dbraw/zinc/18/32/02/600183202.db2.gz LXVUNZQZPXDTMS-UHFFFAOYSA-N -1 3 378.448 3.644 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCc1sccc1C ZINC000826167982 607430502 /nfs/dbraw/zinc/43/05/02/607430502.db2.gz YELOQRIBDRKEST-UHFFFAOYSA-N -1 3 392.868 3.827 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCc1sccc1C ZINC000826167982 607430504 /nfs/dbraw/zinc/43/05/04/607430504.db2.gz YELOQRIBDRKEST-UHFFFAOYSA-N -1 3 392.868 3.827 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)N(C)C)cc1 ZINC000737259606 600347209 /nfs/dbraw/zinc/34/72/09/600347209.db2.gz UTQCXMQAHCKQPQ-FQEVSTJZSA-N -1 3 398.507 3.783 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736476693 600423406 /nfs/dbraw/zinc/42/34/06/600423406.db2.gz QNZZKZGBIWZOFG-QGZVFWFLSA-N -1 3 375.856 3.785 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(COC2CCOCC2)c1)c1cccc(Cl)c1 ZINC000739499317 600436952 /nfs/dbraw/zinc/43/69/52/600436952.db2.gz IQYNCLDZJINXAF-FQEVSTJZSA-N -1 3 389.879 3.951 20 0 GHADHM CC(C)[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824191432 607446054 /nfs/dbraw/zinc/44/60/54/607446054.db2.gz DPLPDCPDOZZJKS-SFHVURJKSA-N -1 3 376.464 3.552 20 0 GHADHM CC(C)[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824191432 607446055 /nfs/dbraw/zinc/44/60/55/607446055.db2.gz DPLPDCPDOZZJKS-SFHVURJKSA-N -1 3 376.464 3.552 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000736715311 600480748 /nfs/dbraw/zinc/48/07/48/600480748.db2.gz DBCCOEHFXHDNGV-FUHWJXTLSA-N -1 3 398.528 3.646 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C)cc1 ZINC000825133799 607447043 /nfs/dbraw/zinc/44/70/43/607447043.db2.gz QBNNMISPCFIMQG-GOSISDBHSA-N -1 3 376.464 3.615 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C)cc1 ZINC000825133799 607447045 /nfs/dbraw/zinc/44/70/45/607447045.db2.gz QBNNMISPCFIMQG-GOSISDBHSA-N -1 3 376.464 3.615 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1Cl ZINC000390511895 600516305 /nfs/dbraw/zinc/51/63/05/600516305.db2.gz ZPJRBZRPGHEJBS-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC000826306424 607457401 /nfs/dbraw/zinc/45/74/01/607457401.db2.gz YNFTYTAEOGAXFT-LJQANCHMSA-N -1 3 388.475 3.615 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC000826306424 607457402 /nfs/dbraw/zinc/45/74/02/607457402.db2.gz YNFTYTAEOGAXFT-LJQANCHMSA-N -1 3 388.475 3.615 20 0 GHADHM CC(C)N1CCN(c2ccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2)CC1 ZINC000826966560 600696424 /nfs/dbraw/zinc/69/64/24/600696424.db2.gz RYPMAWJORZKGSQ-UHFFFAOYSA-N -1 3 392.459 3.632 20 0 GHADHM CCOc1ccc(-c2nc(CSc3ccc(-c4nnn[n-]4)cn3)co2)cc1 ZINC000821399877 607464918 /nfs/dbraw/zinc/46/49/18/607464918.db2.gz DDTYODXAHQWSPA-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCOc1ccc(-c2nc(CSc3ccc(-c4nn[n-]n4)cn3)co2)cc1 ZINC000821399877 607464919 /nfs/dbraw/zinc/46/49/19/607464919.db2.gz DDTYODXAHQWSPA-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CC(=O)Nc1cccc(OCCN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000825917561 600747597 /nfs/dbraw/zinc/74/75/97/600747597.db2.gz OQUCCHWIWXGWJG-KRWDZBQOSA-N -1 3 397.258 3.746 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000821400208 607466527 /nfs/dbraw/zinc/46/65/27/607466527.db2.gz HABGIOVIDFDTMK-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CCOc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000821400208 607466528 /nfs/dbraw/zinc/46/65/28/607466528.db2.gz HABGIOVIDFDTMK-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826183279 607471080 /nfs/dbraw/zinc/47/10/80/607471080.db2.gz KHMWFJXQOJFNDM-KRWDZBQOSA-N -1 3 390.447 3.744 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828277687 601023525 /nfs/dbraw/zinc/02/35/25/601023525.db2.gz LGMFZYMCYOFTBQ-INIZCTEOSA-N -1 3 382.464 3.905 20 0 GHADHM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830500599 601132756 /nfs/dbraw/zinc/13/27/56/601132756.db2.gz SUPKOZVISRSLCY-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830500699 601133971 /nfs/dbraw/zinc/13/39/71/601133971.db2.gz VOBNZUKKAMHPKY-HXUWFJFHSA-N -1 3 396.491 3.583 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000823323124 607503179 /nfs/dbraw/zinc/50/31/79/607503179.db2.gz CDNAZZBILDSHLW-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000823323124 607503180 /nfs/dbraw/zinc/50/31/80/607503180.db2.gz CDNAZZBILDSHLW-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM Fc1cccc(CN(Cc2nccs2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826376385 607517356 /nfs/dbraw/zinc/51/73/56/607517356.db2.gz BHMFJTWMKPDWFX-UHFFFAOYSA-N -1 3 380.452 3.665 20 0 GHADHM Fc1cccc(CN(Cc2nccs2)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826376385 607517358 /nfs/dbraw/zinc/51/73/58/607517358.db2.gz BHMFJTWMKPDWFX-UHFFFAOYSA-N -1 3 380.452 3.665 20 0 GHADHM Cc1ccc(CN(C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832930525 601653038 /nfs/dbraw/zinc/65/30/38/601653038.db2.gz LAGZOGWVOBNTOS-JTSKRJEESA-N -1 3 380.488 3.538 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000826054495 601653447 /nfs/dbraw/zinc/65/34/47/601653447.db2.gz NLFBNFSOCKVRRS-YVEFUNNKSA-N -1 3 380.366 3.696 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000826052631 601655187 /nfs/dbraw/zinc/65/51/87/601655187.db2.gz GZRFALFJPVPUMZ-SJCJKPOMSA-N -1 3 394.443 3.991 20 0 GHADHM CCN(CC1CCN(Cc2ccc(C(=O)[O-])s2)CC1)C(=O)OC(C)(C)C ZINC000829687604 601962107 /nfs/dbraw/zinc/96/21/07/601962107.db2.gz MWJLATFUKAIWIS-UHFFFAOYSA-N -1 3 382.526 3.915 20 0 GHADHM CN(C)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000830569887 601970504 /nfs/dbraw/zinc/97/05/04/601970504.db2.gz VNXOECNBCLKNMM-MRXNPFEDSA-N -1 3 381.259 3.611 20 0 GHADHM Cc1ccc(NC(=O)[C@H](NC[C@H]2CCCN(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000740134576 602000394 /nfs/dbraw/zinc/00/03/94/602000394.db2.gz NNKUZEFOZLCLSI-YLJYHZDGSA-N -1 3 381.476 3.654 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccccc3C)o2)cc1-c1nnn[n-]1 ZINC000826208014 607541268 /nfs/dbraw/zinc/54/12/68/607541268.db2.gz PAELJAMWNSQRPJ-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccccc3C)o2)cc1-c1nn[n-]n1 ZINC000826208014 607541270 /nfs/dbraw/zinc/54/12/70/607541270.db2.gz PAELJAMWNSQRPJ-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1-c1nnn[n-]1 ZINC000826207926 607542063 /nfs/dbraw/zinc/54/20/63/607542063.db2.gz KXLYNKZXZMGESE-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM COc1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1-c1nn[n-]n1 ZINC000826207926 607542064 /nfs/dbraw/zinc/54/20/64/607542064.db2.gz KXLYNKZXZMGESE-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830499678 602390464 /nfs/dbraw/zinc/39/04/64/602390464.db2.gz AAQMTLHKHQATCY-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000827914780 602401124 /nfs/dbraw/zinc/40/11/24/602401124.db2.gz FTJPQZNQELWHBK-FUHWJXTLSA-N -1 3 398.528 3.598 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825782350 607565620 /nfs/dbraw/zinc/56/56/20/607565620.db2.gz DRJXEWQGYGBZST-OAHLLOKOSA-N -1 3 399.886 3.849 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825782350 607565622 /nfs/dbraw/zinc/56/56/22/607565622.db2.gz DRJXEWQGYGBZST-OAHLLOKOSA-N -1 3 399.886 3.849 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000739059371 602463985 /nfs/dbraw/zinc/46/39/85/602463985.db2.gz OMZHRIDZOVOMCU-UIFIKXQLSA-N -1 3 395.503 3.727 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc2occc2[nH]1 ZINC000826455540 607571934 /nfs/dbraw/zinc/57/19/34/607571934.db2.gz SUBYQRJAHJJOHU-UHFFFAOYSA-N -1 3 386.371 3.986 20 0 GHADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000740246743 602648915 /nfs/dbraw/zinc/64/89/15/602648915.db2.gz PTDCCRFUVMCBNM-UHFFFAOYSA-N -1 3 383.279 3.720 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825160161 607577966 /nfs/dbraw/zinc/57/79/66/607577966.db2.gz XXRXIQGQJKIIOR-SFHVURJKSA-N -1 3 397.504 3.834 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825160161 607577969 /nfs/dbraw/zinc/57/79/69/607577969.db2.gz XXRXIQGQJKIIOR-SFHVURJKSA-N -1 3 397.504 3.834 20 0 GHADHM O=C([O-])Nc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000832842301 603542719 /nfs/dbraw/zinc/54/27/19/603542719.db2.gz VAOCRZLUCFSMBH-UHFFFAOYSA-N -1 3 391.353 3.666 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826426955 607639957 /nfs/dbraw/zinc/63/99/57/607639957.db2.gz AVFBXNJCENYNQE-MRXNPFEDSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826426955 607639958 /nfs/dbraw/zinc/63/99/58/607639958.db2.gz AVFBXNJCENYNQE-MRXNPFEDSA-N -1 3 382.855 3.576 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000826247343 607655153 /nfs/dbraw/zinc/65/51/53/607655153.db2.gz ZZNZFMGBLYLREE-GOSISDBHSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000826247343 607655155 /nfs/dbraw/zinc/65/51/55/607655155.db2.gz ZZNZFMGBLYLREE-GOSISDBHSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000826250448 607662414 /nfs/dbraw/zinc/66/24/14/607662414.db2.gz BLUSBFCAOPTPNB-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000826250448 607662416 /nfs/dbraw/zinc/66/24/16/607662416.db2.gz BLUSBFCAOPTPNB-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000826248543 607671860 /nfs/dbraw/zinc/67/18/60/607671860.db2.gz NDFFSCJHUJSQPA-UHFFFAOYSA-N -1 3 399.454 3.651 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000826248543 607671862 /nfs/dbraw/zinc/67/18/62/607671862.db2.gz NDFFSCJHUJSQPA-UHFFFAOYSA-N -1 3 399.454 3.651 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H](C)c1ccccc1OC ZINC000825300707 607674721 /nfs/dbraw/zinc/67/47/21/607674721.db2.gz CYFYZIBFIYFXTK-OAHLLOKOSA-N -1 3 379.464 3.797 20 0 GHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H](C)c1ccccc1OC ZINC000825300707 607674723 /nfs/dbraw/zinc/67/47/23/607674723.db2.gz CYFYZIBFIYFXTK-OAHLLOKOSA-N -1 3 379.464 3.797 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC000826249408 607678250 /nfs/dbraw/zinc/67/82/50/607678250.db2.gz BAODZWXCTCABKC-UHFFFAOYSA-N -1 3 385.431 3.626 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC000826249408 607678252 /nfs/dbraw/zinc/67/82/52/607678252.db2.gz BAODZWXCTCABKC-UHFFFAOYSA-N -1 3 385.431 3.626 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n2)cc1 ZINC000826273739 607687327 /nfs/dbraw/zinc/68/73/27/607687327.db2.gz RLRLPHWVXIZLQO-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)cc1 ZINC000826273739 607687329 /nfs/dbraw/zinc/68/73/29/607687329.db2.gz RLRLPHWVXIZLQO-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000826251290 607683654 /nfs/dbraw/zinc/68/36/54/607683654.db2.gz KZPFOSBGHXSTOF-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000826251290 607683656 /nfs/dbraw/zinc/68/36/56/607683656.db2.gz KZPFOSBGHXSTOF-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM COc1cccc([C@@H](O)CN(Cc2ccoc2C(=O)[O-])Cc2ccccc2)c1 ZINC000832532873 604360913 /nfs/dbraw/zinc/36/09/13/604360913.db2.gz GWDALBGKYKUWMJ-FQEVSTJZSA-N -1 3 381.428 3.722 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824352800 607692798 /nfs/dbraw/zinc/69/27/98/607692798.db2.gz OFECZHWLKRNUQI-OAHLLOKOSA-N -1 3 379.464 3.636 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824352800 607692799 /nfs/dbraw/zinc/69/27/99/607692799.db2.gz OFECZHWLKRNUQI-OAHLLOKOSA-N -1 3 379.464 3.636 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000833679234 604646893 /nfs/dbraw/zinc/64/68/93/604646893.db2.gz WXGWWASYJHPBHH-UKRRQHHQSA-N -1 3 380.485 3.665 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)C1 ZINC000824928126 607709715 /nfs/dbraw/zinc/70/97/15/607709715.db2.gz RFQGKSJADPMZTC-CZUORRHYSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)C1 ZINC000824928126 607709717 /nfs/dbraw/zinc/70/97/17/607709717.db2.gz RFQGKSJADPMZTC-CZUORRHYSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410467 604945220 /nfs/dbraw/zinc/94/52/20/604945220.db2.gz XYTMHYLRDMGTPY-OLZOCXBDSA-N -1 3 397.313 3.599 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000833420911 604945247 /nfs/dbraw/zinc/94/52/47/604945247.db2.gz BZMQUGMRBREVJA-MCFWBGNESA-N -1 3 392.348 3.924 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC000826465023 607725823 /nfs/dbraw/zinc/72/58/23/607725823.db2.gz VSPYDUYBLWQXEG-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC000826465023 607725825 /nfs/dbraw/zinc/72/58/25/607725825.db2.gz VSPYDUYBLWQXEG-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM COc1ccccc1N1CC[C@@H](N[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000833736606 605069560 /nfs/dbraw/zinc/06/95/60/605069560.db2.gz QODFFHYQFSIPJY-XIKOKIGWSA-N -1 3 395.286 3.996 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824353093 607745350 /nfs/dbraw/zinc/74/53/50/607745350.db2.gz XQDAYVZCTVDZCA-HNNXBMFYSA-N -1 3 379.464 3.636 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353093 607745351 /nfs/dbraw/zinc/74/53/51/607745351.db2.gz XQDAYVZCTVDZCA-HNNXBMFYSA-N -1 3 379.464 3.636 20 0 GHADHM CCN(C[C@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1)CC(F)(F)F ZINC000833654181 605376764 /nfs/dbraw/zinc/37/67/64/605376764.db2.gz FSAACQDBQXPVQC-ABAIWWIYSA-N -1 3 396.812 3.811 20 0 GHADHM CCCN(CC(=O)Nc1c(C)cccc1C(C)C)C1CCN(C(=O)[O-])CC1 ZINC000826897120 605475546 /nfs/dbraw/zinc/47/55/46/605475546.db2.gz HRECEVMJWLWFKF-UHFFFAOYSA-N -1 3 375.513 3.911 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)CC2CCCC2)cc1-c1nnn[n-]1 ZINC000825523261 607759075 /nfs/dbraw/zinc/75/90/75/607759075.db2.gz OWCINDZHKDXCHB-GFCCVEGCSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](C)CC2CCCC2)cc1-c1nn[n-]n1 ZINC000825523261 607759076 /nfs/dbraw/zinc/75/90/76/607759076.db2.gz OWCINDZHKDXCHB-GFCCVEGCSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825531907 607760946 /nfs/dbraw/zinc/76/09/46/607760946.db2.gz NDYHWHXYOCZNQV-HNNXBMFYSA-N -1 3 394.435 3.567 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825531907 607760947 /nfs/dbraw/zinc/76/09/47/607760947.db2.gz NDYHWHXYOCZNQV-HNNXBMFYSA-N -1 3 394.435 3.567 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000825532659 607761112 /nfs/dbraw/zinc/76/11/12/607761112.db2.gz WQWHBLXWLJAZDG-GJZGRUSLSA-N -1 3 398.467 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000825532659 607761113 /nfs/dbraw/zinc/76/11/13/607761113.db2.gz WQWHBLXWLJAZDG-GJZGRUSLSA-N -1 3 398.467 3.590 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000825958342 607763990 /nfs/dbraw/zinc/76/39/90/607763990.db2.gz SGFWXSQZAAJXLC-LJQANCHMSA-N -1 3 390.491 3.722 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000825958342 607763991 /nfs/dbraw/zinc/76/39/91/607763991.db2.gz SGFWXSQZAAJXLC-LJQANCHMSA-N -1 3 390.491 3.722 20 0 GHADHM CCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000825705228 607768731 /nfs/dbraw/zinc/76/87/31/607768731.db2.gz ZKIRHJAYKUJPLV-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000825705228 607768732 /nfs/dbraw/zinc/76/87/32/607768732.db2.gz ZKIRHJAYKUJPLV-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc2[nH]ccc21 ZINC000826459453 607768932 /nfs/dbraw/zinc/76/89/32/607768932.db2.gz KKNVIAJAHICKPT-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc2[nH]ccc21 ZINC000826459453 607768933 /nfs/dbraw/zinc/76/89/33/607768933.db2.gz KKNVIAJAHICKPT-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(CCc1ccccc1F)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826408978 607770841 /nfs/dbraw/zinc/77/08/41/607770841.db2.gz CSDHNWGQRSTOLK-UHFFFAOYSA-N -1 3 394.435 3.701 20 0 GHADHM O=C(CCc1ccccc1F)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826408978 607770842 /nfs/dbraw/zinc/77/08/42/607770842.db2.gz CSDHNWGQRSTOLK-UHFFFAOYSA-N -1 3 394.435 3.701 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820988994 606027621 /nfs/dbraw/zinc/02/76/21/606027621.db2.gz JZWFEBGAZVTURO-CGNRZSRCSA-N -1 3 387.487 3.922 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820988994 606027626 /nfs/dbraw/zinc/02/76/26/606027626.db2.gz JZWFEBGAZVTURO-CGNRZSRCSA-N -1 3 387.487 3.922 20 0 GHADHM C[C@@H](CCNC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000820240669 606029417 /nfs/dbraw/zinc/02/94/17/606029417.db2.gz CXFFJTDHDGRVMH-JTQLQIEISA-N -1 3 395.410 3.871 20 0 GHADHM C[C@@H](CCNC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000820240669 606029421 /nfs/dbraw/zinc/02/94/21/606029421.db2.gz CXFFJTDHDGRVMH-JTQLQIEISA-N -1 3 395.410 3.871 20 0 GHADHM COc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2)cc1 ZINC000821783072 606055736 /nfs/dbraw/zinc/05/57/36/606055736.db2.gz VGMUYLUKODUZIJ-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2)cc1 ZINC000821783072 606055740 /nfs/dbraw/zinc/05/57/40/606055740.db2.gz VGMUYLUKODUZIJ-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822263558 606103369 /nfs/dbraw/zinc/10/33/69/606103369.db2.gz SQYSEBLUSRGFBC-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822263558 606103371 /nfs/dbraw/zinc/10/33/71/606103371.db2.gz SQYSEBLUSRGFBC-INIZCTEOSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1sc(NC(=O)CN2CCC[C@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233833 606108447 /nfs/dbraw/zinc/10/84/47/606108447.db2.gz WFMGRHYOWIULPO-INIZCTEOSA-N -1 3 396.520 3.629 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820938464 606121758 /nfs/dbraw/zinc/12/17/58/606121758.db2.gz JIICZSRFNUAGJP-CYBMUJFWSA-N -1 3 383.477 3.521 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820938464 606121759 /nfs/dbraw/zinc/12/17/59/606121759.db2.gz JIICZSRFNUAGJP-CYBMUJFWSA-N -1 3 383.477 3.521 20 0 GHADHM O=C(CS[C@H]1CCCCc2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823055178 606180390 /nfs/dbraw/zinc/18/03/90/606180390.db2.gz JXPUEKIACSFLGA-IBGZPJMESA-N -1 3 393.516 3.684 20 0 GHADHM O=C(CS[C@H]1CCCCc2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823055178 606180391 /nfs/dbraw/zinc/18/03/91/606180391.db2.gz JXPUEKIACSFLGA-IBGZPJMESA-N -1 3 393.516 3.684 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccccc2-c2nnn[n-]2)n1 ZINC000822362193 606195717 /nfs/dbraw/zinc/19/57/17/606195717.db2.gz NRKYOWVKSNKPKW-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccccc2-c2nn[n-]n2)n1 ZINC000822362193 606195718 /nfs/dbraw/zinc/19/57/18/606195718.db2.gz NRKYOWVKSNKPKW-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821427685 606217824 /nfs/dbraw/zinc/21/78/24/606217824.db2.gz YFOXUPSBMJXTFC-ZDUSSCGKSA-N -1 3 394.479 3.537 20 0 GHADHM CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821427685 606217826 /nfs/dbraw/zinc/21/78/26/606217826.db2.gz YFOXUPSBMJXTFC-ZDUSSCGKSA-N -1 3 394.479 3.537 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CCOCC1CC1 ZINC000822211810 606235976 /nfs/dbraw/zinc/23/59/76/606235976.db2.gz PLBXCTHSBGBOOX-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CCOCC1CC1 ZINC000822211810 606235977 /nfs/dbraw/zinc/23/59/77/606235977.db2.gz PLBXCTHSBGBOOX-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000819945805 606241624 /nfs/dbraw/zinc/24/16/24/606241624.db2.gz FGNQGSHOGOYKNU-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000819945805 606241625 /nfs/dbraw/zinc/24/16/25/606241625.db2.gz FGNQGSHOGOYKNU-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822211971 606245647 /nfs/dbraw/zinc/24/56/47/606245647.db2.gz WFEOYJWFENSEFG-MOPGFXCFSA-N -1 3 389.459 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822211971 606245648 /nfs/dbraw/zinc/24/56/48/606245648.db2.gz WFEOYJWFENSEFG-MOPGFXCFSA-N -1 3 389.459 3.739 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820184208 606247715 /nfs/dbraw/zinc/24/77/15/606247715.db2.gz XDGQFWVTDPBQKV-UHFFFAOYSA-N -1 3 376.873 3.611 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820184208 606247717 /nfs/dbraw/zinc/24/77/17/606247717.db2.gz XDGQFWVTDPBQKV-UHFFFAOYSA-N -1 3 376.873 3.611 20 0 GHADHM CN(CC(F)(F)F)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821595288 606257154 /nfs/dbraw/zinc/25/71/54/606257154.db2.gz RNWQAWSUOJPCGB-UHFFFAOYSA-N -1 3 393.394 3.652 20 0 GHADHM CN(CC(F)(F)F)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821595288 606257155 /nfs/dbraw/zinc/25/71/55/606257155.db2.gz RNWQAWSUOJPCGB-UHFFFAOYSA-N -1 3 393.394 3.652 20 0 GHADHM O=C(CC[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822950532 606259763 /nfs/dbraw/zinc/25/97/63/606259763.db2.gz RRHQFZMYXLYESJ-CYBMUJFWSA-N -1 3 397.410 3.553 20 0 GHADHM O=C(CC[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822950532 606259765 /nfs/dbraw/zinc/25/97/65/606259765.db2.gz RRHQFZMYXLYESJ-CYBMUJFWSA-N -1 3 397.410 3.553 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820519409 606272003 /nfs/dbraw/zinc/27/20/03/606272003.db2.gz UBDUKJWMBQCODI-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820519409 606272005 /nfs/dbraw/zinc/27/20/05/606272005.db2.gz UBDUKJWMBQCODI-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820643542 606280093 /nfs/dbraw/zinc/28/00/93/606280093.db2.gz WXUALEWNRGQVPM-KXBFYZLASA-N -1 3 393.516 3.505 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820643542 606280095 /nfs/dbraw/zinc/28/00/95/606280095.db2.gz WXUALEWNRGQVPM-KXBFYZLASA-N -1 3 393.516 3.505 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000821118842 606282666 /nfs/dbraw/zinc/28/26/66/606282666.db2.gz SFFDIALIPHECNM-AWEZNQCLSA-N -1 3 380.477 3.517 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nnn[n-]3)cs2)nc2cc(Cl)ccc12 ZINC000823656996 606305183 /nfs/dbraw/zinc/30/51/83/606305183.db2.gz LHBBEHSNVWWDPR-VZUCSPMQSA-N -1 3 391.243 3.555 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nn[n-]n3)cs2)nc2cc(Cl)ccc12 ZINC000823656996 606305185 /nfs/dbraw/zinc/30/51/85/606305185.db2.gz LHBBEHSNVWWDPR-VZUCSPMQSA-N -1 3 391.243 3.555 20 0 GHADHM O=C1[C@H](S[C@@H]2CCCc3ccccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511969 606311265 /nfs/dbraw/zinc/31/12/65/606311265.db2.gz JSPIHRYSQFHECW-HZPDHXFCSA-N -1 3 397.529 3.844 20 0 GHADHM O=C1[C@H](S[C@@H]2CCCc3ccccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511969 606311266 /nfs/dbraw/zinc/31/12/66/606311266.db2.gz JSPIHRYSQFHECW-HZPDHXFCSA-N -1 3 397.529 3.844 20 0 GHADHM O=C(Nc1cccc(CSCc2ccccc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823364105 606322611 /nfs/dbraw/zinc/32/26/11/606322611.db2.gz ZTEZQXLBZIPFJJ-UHFFFAOYSA-N -1 3 390.472 3.881 20 0 GHADHM O=C(Nc1cccc(CSCc2ccccc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823364105 606322613 /nfs/dbraw/zinc/32/26/13/606322613.db2.gz ZTEZQXLBZIPFJJ-UHFFFAOYSA-N -1 3 390.472 3.881 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512326 606346343 /nfs/dbraw/zinc/34/63/43/606346343.db2.gz KFZOQASWZXCFNW-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512326 606346346 /nfs/dbraw/zinc/34/63/46/606346346.db2.gz KFZOQASWZXCFNW-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518632 606351075 /nfs/dbraw/zinc/35/10/75/606351075.db2.gz HZYSELSVAKSQJV-CYBMUJFWSA-N -1 3 380.452 3.566 20 0 GHADHM C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518632 606351076 /nfs/dbraw/zinc/35/10/76/606351076.db2.gz HZYSELSVAKSQJV-CYBMUJFWSA-N -1 3 380.452 3.566 20 0 GHADHM CCCc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000821139267 606351510 /nfs/dbraw/zinc/35/15/10/606351510.db2.gz RWNOCCNQUJDSNW-CYBMUJFWSA-N -1 3 381.436 3.576 20 0 GHADHM CCCc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000821139267 606351512 /nfs/dbraw/zinc/35/15/12/606351512.db2.gz RWNOCCNQUJDSNW-CYBMUJFWSA-N -1 3 381.436 3.576 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506818 606352683 /nfs/dbraw/zinc/35/26/83/606352683.db2.gz CHTXJFYPGFGXEH-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506818 606352686 /nfs/dbraw/zinc/35/26/86/606352686.db2.gz CHTXJFYPGFGXEH-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000820380474 606356752 /nfs/dbraw/zinc/35/67/52/606356752.db2.gz UKUFTHKEXLPBER-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000820380474 606356753 /nfs/dbraw/zinc/35/67/53/606356753.db2.gz UKUFTHKEXLPBER-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535531 606357186 /nfs/dbraw/zinc/35/71/86/606357186.db2.gz VQAYYMXFEUMOOW-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535531 606357188 /nfs/dbraw/zinc/35/71/88/606357188.db2.gz VQAYYMXFEUMOOW-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488105 606357854 /nfs/dbraw/zinc/35/78/54/606357854.db2.gz LANAGASUAQQZSC-ZWLSGLHFSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488105 606357856 /nfs/dbraw/zinc/35/78/56/606357856.db2.gz LANAGASUAQQZSC-ZWLSGLHFSA-N -1 3 383.477 3.938 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823343908 606358510 /nfs/dbraw/zinc/35/85/10/606358510.db2.gz KKDNYUKINWRFLM-OAHLLOKOSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823343908 606358511 /nfs/dbraw/zinc/35/85/11/606358511.db2.gz KKDNYUKINWRFLM-OAHLLOKOSA-N -1 3 380.427 3.807 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820390187 606362397 /nfs/dbraw/zinc/36/23/97/606362397.db2.gz FWBYXSAYCPUQKU-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820390187 606362399 /nfs/dbraw/zinc/36/23/99/606362399.db2.gz FWBYXSAYCPUQKU-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820937640 606362421 /nfs/dbraw/zinc/36/24/21/606362421.db2.gz AVDXKOJAHJSTPW-LRDDRELGSA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820937640 606362422 /nfs/dbraw/zinc/36/24/22/606362422.db2.gz AVDXKOJAHJSTPW-LRDDRELGSA-N -1 3 385.855 3.555 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)c(F)cc1F ZINC000821389375 606372509 /nfs/dbraw/zinc/37/25/09/606372509.db2.gz KPTFWIBKQRPGJH-UHFFFAOYSA-N -1 3 394.765 3.725 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)c(F)cc1F ZINC000821389375 606372510 /nfs/dbraw/zinc/37/25/10/606372510.db2.gz KPTFWIBKQRPGJH-UHFFFAOYSA-N -1 3 394.765 3.725 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)cc1F ZINC000822175726 606372644 /nfs/dbraw/zinc/37/26/44/606372644.db2.gz AAKRWMHOAIXJLE-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)cc1F ZINC000822175726 606372646 /nfs/dbraw/zinc/37/26/46/606372646.db2.gz AAKRWMHOAIXJLE-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225798 606397500 /nfs/dbraw/zinc/39/75/00/606397500.db2.gz PNDJCIHVAGZDBU-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225798 606397502 /nfs/dbraw/zinc/39/75/02/606397502.db2.gz PNDJCIHVAGZDBU-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574712 606414623 /nfs/dbraw/zinc/41/46/23/606414623.db2.gz UBLGFDZXGDBIFH-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574712 606414625 /nfs/dbraw/zinc/41/46/25/606414625.db2.gz UBLGFDZXGDBIFH-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM COc1ccc(OC)c([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000821841363 606443282 /nfs/dbraw/zinc/44/32/82/606443282.db2.gz IBWFAAGKEKWWGP-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc(OC)c([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000821841363 606443284 /nfs/dbraw/zinc/44/32/84/606443284.db2.gz IBWFAAGKEKWWGP-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1NC(=O)OC(C)(C)C ZINC000821835701 606446479 /nfs/dbraw/zinc/44/64/79/606446479.db2.gz PVRVODKKINYOOX-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM COc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)OC(C)(C)C ZINC000821835701 606446481 /nfs/dbraw/zinc/44/64/81/606446481.db2.gz PVRVODKKINYOOX-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822167376 606450594 /nfs/dbraw/zinc/45/05/94/606450594.db2.gz DLWSKRINPHTCNU-INIZCTEOSA-N -1 3 390.491 3.802 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822167376 606450596 /nfs/dbraw/zinc/45/05/96/606450596.db2.gz DLWSKRINPHTCNU-INIZCTEOSA-N -1 3 390.491 3.802 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1nc2ccccc2s1 ZINC000820507455 606468223 /nfs/dbraw/zinc/46/82/23/606468223.db2.gz HNOFNJZDCPWFJR-NXEZZACHSA-N -1 3 385.474 3.887 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](C)c1nc2ccccc2s1 ZINC000820507455 606468224 /nfs/dbraw/zinc/46/82/24/606468224.db2.gz HNOFNJZDCPWFJR-NXEZZACHSA-N -1 3 385.474 3.887 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc2c(ccc3ccccc23)s1 ZINC000823108058 606491221 /nfs/dbraw/zinc/49/12/21/606491221.db2.gz JDRNQXQMLOAEAF-UHFFFAOYSA-N -1 3 386.440 3.811 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc2c(ccc3ccccc23)s1 ZINC000823108058 606491223 /nfs/dbraw/zinc/49/12/23/606491223.db2.gz JDRNQXQMLOAEAF-UHFFFAOYSA-N -1 3 386.440 3.811 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000823467307 606491336 /nfs/dbraw/zinc/49/13/36/606491336.db2.gz UFHJUDGXYBHTGH-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000823467307 606491337 /nfs/dbraw/zinc/49/13/37/606491337.db2.gz UFHJUDGXYBHTGH-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821827714 606516290 /nfs/dbraw/zinc/51/62/90/606516290.db2.gz JGDFLCHENDWWAG-UHFFFAOYSA-N -1 3 399.407 3.516 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821827714 606516293 /nfs/dbraw/zinc/51/62/93/606516293.db2.gz JGDFLCHENDWWAG-UHFFFAOYSA-N -1 3 399.407 3.516 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)C1 ZINC000822351576 606518234 /nfs/dbraw/zinc/51/82/34/606518234.db2.gz OPQHBBIIKOAZDF-UHFFFAOYSA-N -1 3 379.489 3.787 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)C1 ZINC000822351576 606518236 /nfs/dbraw/zinc/51/82/36/606518236.db2.gz OPQHBBIIKOAZDF-UHFFFAOYSA-N -1 3 379.489 3.787 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cc1 ZINC000821728721 606519144 /nfs/dbraw/zinc/51/91/44/606519144.db2.gz YRSANYBQNDHGTH-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cc1 ZINC000821728721 606519146 /nfs/dbraw/zinc/51/91/46/606519146.db2.gz YRSANYBQNDHGTH-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM CCc1ccc(CC)c(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821482673 606522610 /nfs/dbraw/zinc/52/26/10/606522610.db2.gz UVZJSKXBSRKXPG-FQEVSTJZSA-N -1 3 390.491 3.599 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000820151814 606530504 /nfs/dbraw/zinc/53/05/04/606530504.db2.gz NGTLLJKPFXOAQY-GQCTYLIASA-N -1 3 381.411 3.835 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000820151814 606530506 /nfs/dbraw/zinc/53/05/06/606530506.db2.gz NGTLLJKPFXOAQY-GQCTYLIASA-N -1 3 381.411 3.835 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821877850 606572017 /nfs/dbraw/zinc/57/20/17/606572017.db2.gz XFIUKGPUZWILOG-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821877850 606572019 /nfs/dbraw/zinc/57/20/19/606572019.db2.gz XFIUKGPUZWILOG-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)n1 ZINC000822414581 606572454 /nfs/dbraw/zinc/57/24/54/606572454.db2.gz LFRRMSMICVFNRK-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)n1 ZINC000822414581 606572455 /nfs/dbraw/zinc/57/24/55/606572455.db2.gz LFRRMSMICVFNRK-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664976 606574287 /nfs/dbraw/zinc/57/42/87/606574287.db2.gz DADWLTYQFHTOEU-JLBUNGTFSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664976 606574288 /nfs/dbraw/zinc/57/42/88/606574288.db2.gz DADWLTYQFHTOEU-JLBUNGTFSA-N -1 3 381.867 3.576 20 0 GHADHM CC1CC(NC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C1 ZINC000820659499 606577870 /nfs/dbraw/zinc/57/78/70/606577870.db2.gz YIKQYBSDXDCPKC-UHFFFAOYSA-N -1 3 382.399 3.718 20 0 GHADHM CC1CC(NC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C1 ZINC000820659499 606577872 /nfs/dbraw/zinc/57/78/72/606577872.db2.gz YIKQYBSDXDCPKC-UHFFFAOYSA-N -1 3 382.399 3.718 20 0 GHADHM CCCC[C@H](CC)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821040775 606594503 /nfs/dbraw/zinc/59/45/03/606594503.db2.gz RFMYEKUHYZWOMR-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM CCCC[C@H](CC)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821040775 606594504 /nfs/dbraw/zinc/59/45/04/606594504.db2.gz RFMYEKUHYZWOMR-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM c1csc(Oc2ccc(OCCOc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000823816081 606616898 /nfs/dbraw/zinc/61/68/98/606616898.db2.gz PPAYYVXDMUCNCR-UHFFFAOYSA-N -1 3 381.417 3.573 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820315559 606618450 /nfs/dbraw/zinc/61/84/50/606618450.db2.gz OIHRBKMBFNIGRV-CYBMUJFWSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820315559 606618451 /nfs/dbraw/zinc/61/84/51/606618451.db2.gz OIHRBKMBFNIGRV-CYBMUJFWSA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)c1cnc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)o1 ZINC000820197569 606638522 /nfs/dbraw/zinc/63/85/22/606638522.db2.gz LZHDCPSPRWMKGY-UHFFFAOYSA-N -1 3 377.408 3.778 20 0 GHADHM C[C@H](c1ccco1)N(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000820570342 606655563 /nfs/dbraw/zinc/65/55/63/606655563.db2.gz HTBDUHHUHZZNIT-GFCCVEGCSA-N -1 3 383.456 3.774 20 0 GHADHM C[C@H](c1ccco1)N(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000820570342 606655564 /nfs/dbraw/zinc/65/55/64/606655564.db2.gz HTBDUHHUHZZNIT-GFCCVEGCSA-N -1 3 383.456 3.774 20 0 GHADHM CC(C)(C)c1nnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000819971906 606656312 /nfs/dbraw/zinc/65/63/12/606656312.db2.gz WZGPVBNGDBMJSJ-UHFFFAOYSA-N -1 3 391.435 3.952 20 0 GHADHM c1cc(NCc2noc(C3CC3)n2)cc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823757254 606657173 /nfs/dbraw/zinc/65/71/73/606657173.db2.gz NCFFDGZKNLSMPT-UHFFFAOYSA-N -1 3 375.392 3.532 20 0 GHADHM Cc1sc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000822563171 606664900 /nfs/dbraw/zinc/66/49/00/606664900.db2.gz FYQMQOQLDTVQQE-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM Cc1sc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000822563171 606664901 /nfs/dbraw/zinc/66/49/01/606664901.db2.gz FYQMQOQLDTVQQE-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)o1 ZINC000820678271 606671533 /nfs/dbraw/zinc/67/15/33/606671533.db2.gz UOYALVLXKHPSCV-QMTHXVAHSA-N -1 3 399.401 3.666 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)o1 ZINC000820678271 606671534 /nfs/dbraw/zinc/67/15/34/606671534.db2.gz UOYALVLXKHPSCV-QMTHXVAHSA-N -1 3 399.401 3.666 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000821571804 606679932 /nfs/dbraw/zinc/67/99/32/606679932.db2.gz GBWUQAOOVUUIRQ-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000821571804 606679933 /nfs/dbraw/zinc/67/99/33/606679933.db2.gz GBWUQAOOVUUIRQ-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820145701 606680789 /nfs/dbraw/zinc/68/07/89/606680789.db2.gz DXDRUOHQJFRXOE-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820145701 606680790 /nfs/dbraw/zinc/68/07/90/606680790.db2.gz DXDRUOHQJFRXOE-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233831 606681744 /nfs/dbraw/zinc/68/17/44/606681744.db2.gz WCKNWZGBWRWQAH-QGZVFWFLSA-N -1 3 383.402 3.821 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233831 606681745 /nfs/dbraw/zinc/68/17/45/606681745.db2.gz WCKNWZGBWRWQAH-QGZVFWFLSA-N -1 3 383.402 3.821 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389857 606684332 /nfs/dbraw/zinc/68/43/32/606684332.db2.gz ADHFUZPUUMOFLH-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389857 606684333 /nfs/dbraw/zinc/68/43/33/606684333.db2.gz ADHFUZPUUMOFLH-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM CCCCC[C@H](C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000821044282 606687391 /nfs/dbraw/zinc/68/73/91/606687391.db2.gz YNQMYQKRJSNPRB-SFHVURJKSA-N -1 3 398.555 3.804 20 0 GHADHM CCCCC[C@H](C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000821044282 606687392 /nfs/dbraw/zinc/68/73/92/606687392.db2.gz YNQMYQKRJSNPRB-SFHVURJKSA-N -1 3 398.555 3.804 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823331570 606692247 /nfs/dbraw/zinc/69/22/47/606692247.db2.gz FKFNGRVHFHIHDY-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823331570 606692248 /nfs/dbraw/zinc/69/22/48/606692248.db2.gz FKFNGRVHFHIHDY-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(Cl)cc1Cl ZINC000821979057 606729027 /nfs/dbraw/zinc/72/90/27/606729027.db2.gz ONCSSDHVENLDMF-UHFFFAOYSA-N -1 3 381.248 3.543 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(Cl)cc1Cl ZINC000821979057 606729029 /nfs/dbraw/zinc/72/90/29/606729029.db2.gz ONCSSDHVENLDMF-UHFFFAOYSA-N -1 3 381.248 3.543 20 0 GHADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820292418 606733544 /nfs/dbraw/zinc/73/35/44/606733544.db2.gz FPXFDASZMHKRJH-LLVKDONJSA-N -1 3 391.353 3.539 20 0 GHADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820292418 606733546 /nfs/dbraw/zinc/73/35/46/606733546.db2.gz FPXFDASZMHKRJH-LLVKDONJSA-N -1 3 391.353 3.539 20 0 GHADHM C[C@H](OC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820497690 606746887 /nfs/dbraw/zinc/74/68/87/606746887.db2.gz UPOHUXSGRWQKQX-AWEZNQCLSA-N -1 3 375.432 3.595 20 0 GHADHM C[C@H](OC(=O)CCc1cn(C)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820497690 606746888 /nfs/dbraw/zinc/74/68/88/606746888.db2.gz UPOHUXSGRWQKQX-AWEZNQCLSA-N -1 3 375.432 3.595 20 0 GHADHM COc1cccc(C=C2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000821862929 606753941 /nfs/dbraw/zinc/75/39/41/606753941.db2.gz GQJAIRBUCAYSFS-UHFFFAOYSA-N -1 3 379.439 3.694 20 0 GHADHM O=C(OCc1c(Cl)cccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823414557 606758313 /nfs/dbraw/zinc/75/83/13/606758313.db2.gz ZJVKCBHMUVUNSJ-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM O=C(OCc1c(Cl)cccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823414557 606758314 /nfs/dbraw/zinc/75/83/14/606758314.db2.gz ZJVKCBHMUVUNSJ-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000822733333 606772729 /nfs/dbraw/zinc/77/27/29/606772729.db2.gz YHVJYISKRUXTMG-UHFFFAOYSA-N -1 3 390.177 3.658 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820971241 606787370 /nfs/dbraw/zinc/78/73/70/606787370.db2.gz AALDBMGMDJZICO-KSSFIOAISA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820971241 606787372 /nfs/dbraw/zinc/78/73/72/606787372.db2.gz AALDBMGMDJZICO-KSSFIOAISA-N -1 3 379.420 3.555 20 0 GHADHM CCN(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821196602 606792190 /nfs/dbraw/zinc/79/21/90/606792190.db2.gz BRUVWNRJQXCYDT-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM CCN(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821196602 606792192 /nfs/dbraw/zinc/79/21/92/606792192.db2.gz BRUVWNRJQXCYDT-UHFFFAOYSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822230968 606800563 /nfs/dbraw/zinc/80/05/63/606800563.db2.gz WMSVGMMBVKLAEE-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822230968 606800564 /nfs/dbraw/zinc/80/05/64/606800564.db2.gz WMSVGMMBVKLAEE-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM CC(C)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Cl)c1 ZINC000819980685 606810119 /nfs/dbraw/zinc/81/01/19/606810119.db2.gz HLBUMPNZRQWRES-UHFFFAOYSA-N -1 3 397.910 3.838 20 0 GHADHM CC(C)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(Cl)c1 ZINC000819980685 606810120 /nfs/dbraw/zinc/81/01/20/606810120.db2.gz HLBUMPNZRQWRES-UHFFFAOYSA-N -1 3 397.910 3.838 20 0 GHADHM CO[C@@H](C)c1nc(CSCCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821675938 606841161 /nfs/dbraw/zinc/84/11/61/606841161.db2.gz WXAOINUXFCUXFJ-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM CO[C@@H](C)c1nc(CSCCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821675938 606841162 /nfs/dbraw/zinc/84/11/62/606841162.db2.gz WXAOINUXFCUXFJ-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000821040469 606872488 /nfs/dbraw/zinc/87/24/88/606872488.db2.gz MBMCJHNFEMIVPM-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821083015 606936173 /nfs/dbraw/zinc/93/61/73/606936173.db2.gz RRSFBKICPKIRFP-UHFFFAOYSA-N -1 3 393.476 3.844 20 0 GHADHM C[C@@]1(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCCS1 ZINC000820618445 606954467 /nfs/dbraw/zinc/95/44/67/606954467.db2.gz DRNWJYBEOSXOOI-FQEVSTJZSA-N -1 3 379.489 3.549 20 0 GHADHM C[C@@]1(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCCS1 ZINC000820618445 606954468 /nfs/dbraw/zinc/95/44/68/606954468.db2.gz DRNWJYBEOSXOOI-FQEVSTJZSA-N -1 3 379.489 3.549 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(Cl)c1F ZINC000823421623 606955026 /nfs/dbraw/zinc/95/50/26/606955026.db2.gz FBGSJVOPRAPFOL-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(Cl)c1F ZINC000823421623 606955028 /nfs/dbraw/zinc/95/50/28/606955028.db2.gz FBGSJVOPRAPFOL-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820938874 606958430 /nfs/dbraw/zinc/95/84/30/606958430.db2.gz OAVFORLOFSFCQI-INIZCTEOSA-N -1 3 377.876 3.611 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820938874 606958432 /nfs/dbraw/zinc/95/84/32/606958432.db2.gz OAVFORLOFSFCQI-INIZCTEOSA-N -1 3 377.876 3.611 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569180 606960288 /nfs/dbraw/zinc/96/02/88/606960288.db2.gz BDDVDVVAQNCBGR-NEPJUHHUSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569180 606960289 /nfs/dbraw/zinc/96/02/89/606960289.db2.gz BDDVDVVAQNCBGR-NEPJUHHUSA-N -1 3 389.793 3.565 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820248442 606962335 /nfs/dbraw/zinc/96/23/35/606962335.db2.gz HRFQFCTUBWHPDK-ZDUSSCGKSA-N -1 3 385.855 3.588 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820248442 606962337 /nfs/dbraw/zinc/96/23/37/606962337.db2.gz HRFQFCTUBWHPDK-ZDUSSCGKSA-N -1 3 385.855 3.588 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820352619 606967662 /nfs/dbraw/zinc/96/76/62/606967662.db2.gz WWXVWTLKRLVZIJ-MGPUTAFESA-N -1 3 390.491 3.893 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820352619 606967664 /nfs/dbraw/zinc/96/76/64/606967664.db2.gz WWXVWTLKRLVZIJ-MGPUTAFESA-N -1 3 390.491 3.893 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822299590 606979039 /nfs/dbraw/zinc/97/90/39/606979039.db2.gz NXIVVALNANVSAP-MRXNPFEDSA-N -1 3 399.911 3.757 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822299590 606979040 /nfs/dbraw/zinc/97/90/40/606979040.db2.gz NXIVVALNANVSAP-MRXNPFEDSA-N -1 3 399.911 3.757 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3sccc3-c3nnn[n-]3)o2)cc1C ZINC000822214276 606997343 /nfs/dbraw/zinc/99/73/43/606997343.db2.gz XKIXTCHYLDAKDT-NSHDSACASA-N -1 3 396.432 3.513 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Oc2nccs2)c1 ZINC000823426614 607000696 /nfs/dbraw/zinc/00/06/96/607000696.db2.gz LYVFVEDDSWYTHK-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Oc2nccs2)c1 ZINC000823426614 607000698 /nfs/dbraw/zinc/00/06/98/607000698.db2.gz LYVFVEDDSWYTHK-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821000581 607011844 /nfs/dbraw/zinc/01/18/44/607011844.db2.gz GSTFUBZWKUNJED-OAHLLOKOSA-N -1 3 385.518 3.556 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821000581 607011845 /nfs/dbraw/zinc/01/18/45/607011845.db2.gz GSTFUBZWKUNJED-OAHLLOKOSA-N -1 3 385.518 3.556 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)Cc1ccco1 ZINC000822211995 607021347 /nfs/dbraw/zinc/02/13/47/607021347.db2.gz XOILXISQNPAPDZ-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)Cc1ccco1 ZINC000822211995 607021349 /nfs/dbraw/zinc/02/13/49/607021349.db2.gz XOILXISQNPAPDZ-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820211321 607037500 /nfs/dbraw/zinc/03/75/00/607037500.db2.gz ILHYPRYWOGTCJZ-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820211321 607037501 /nfs/dbraw/zinc/03/75/01/607037501.db2.gz ILHYPRYWOGTCJZ-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM Cc1cccc(C)c1CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000822293504 607064043 /nfs/dbraw/zinc/06/40/43/607064043.db2.gz ADLNMPITDGPWEI-UHFFFAOYSA-N -1 3 392.507 3.851 20 0 GHADHM Cc1cccc(C)c1CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000822293504 607064045 /nfs/dbraw/zinc/06/40/45/607064045.db2.gz ADLNMPITDGPWEI-UHFFFAOYSA-N -1 3 392.507 3.851 20 0 GHADHM COc1ccccc1[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821883362 607093656 /nfs/dbraw/zinc/09/36/56/607093656.db2.gz UISYJBVLIQRSLS-SFHVURJKSA-N -1 3 392.440 3.883 20 0 GHADHM COc1ccccc1[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821883362 607093657 /nfs/dbraw/zinc/09/36/57/607093657.db2.gz UISYJBVLIQRSLS-SFHVURJKSA-N -1 3 392.440 3.883 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1nc2ccccc2s1 ZINC000821293341 607099400 /nfs/dbraw/zinc/09/94/00/607099400.db2.gz KIUVHGNWUKTHSC-KTKRTIGZSA-N -1 3 391.460 3.560 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000821293354 607101454 /nfs/dbraw/zinc/10/14/54/607101454.db2.gz KOMJQDHDCILASG-ZDUSSCGKSA-N -1 3 382.493 3.559 20 0 GHADHM C[C@H](c1cccc(Br)c1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562651 607120902 /nfs/dbraw/zinc/12/09/02/607120902.db2.gz IDCQSEFQUPVLRX-BGJPBQGDSA-N -1 3 391.294 3.639 20 0 GHADHM C[C@H](c1cccc(Br)c1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562651 607120905 /nfs/dbraw/zinc/12/09/05/607120905.db2.gz IDCQSEFQUPVLRX-BGJPBQGDSA-N -1 3 391.294 3.639 20 0 GHADHM O=c1cc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c2cc3c(cc2o1)CCC3 ZINC000823665743 607125494 /nfs/dbraw/zinc/12/54/94/607125494.db2.gz UJMLUZPFSFPWFR-UHFFFAOYSA-N -1 3 393.834 3.727 20 0 GHADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000820534216 607136124 /nfs/dbraw/zinc/13/61/24/607136124.db2.gz KDKOFPWFBSOBSP-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000820534216 607136126 /nfs/dbraw/zinc/13/61/26/607136126.db2.gz KDKOFPWFBSOBSP-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1csc(CCc2ccccc2)n1 ZINC000822747970 607136846 /nfs/dbraw/zinc/13/68/46/607136846.db2.gz AONLGCUOVAKNCR-UHFFFAOYSA-N -1 3 381.436 3.827 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1csc(CCc2ccccc2)n1 ZINC000822747970 607136848 /nfs/dbraw/zinc/13/68/48/607136848.db2.gz AONLGCUOVAKNCR-UHFFFAOYSA-N -1 3 381.436 3.827 20 0 GHADHM CCN(C(=O)[C@@H](C)OC1CCCCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149098 607153716 /nfs/dbraw/zinc/15/37/16/607153716.db2.gz RXTGIXHHAJIWJZ-HZPDHXFCSA-N -1 3 385.512 3.904 20 0 GHADHM CCN(C(=O)[C@@H](C)OC1CCCCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149098 607153717 /nfs/dbraw/zinc/15/37/17/607153717.db2.gz RXTGIXHHAJIWJZ-HZPDHXFCSA-N -1 3 385.512 3.904 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314472 607162714 /nfs/dbraw/zinc/16/27/14/607162714.db2.gz JMFQLBJKUHPGLU-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314472 607162715 /nfs/dbraw/zinc/16/27/15/607162715.db2.gz JMFQLBJKUHPGLU-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM Cc1cc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1F ZINC000822151555 607169120 /nfs/dbraw/zinc/16/91/20/607169120.db2.gz BZVYDNQUDVZHFS-UHFFFAOYSA-N -1 3 386.387 3.796 20 0 GHADHM Cc1cc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1F ZINC000822151555 607169121 /nfs/dbraw/zinc/16/91/21/607169121.db2.gz BZVYDNQUDVZHFS-UHFFFAOYSA-N -1 3 386.387 3.796 20 0 GHADHM COc1cccc2c1OCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821877149 607172999 /nfs/dbraw/zinc/17/29/99/607172999.db2.gz CRCSYUQJLJIXQM-CQSZACIVSA-N -1 3 391.353 3.830 20 0 GHADHM COc1cccc2c1OCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821877149 607173000 /nfs/dbraw/zinc/17/30/00/607173000.db2.gz CRCSYUQJLJIXQM-CQSZACIVSA-N -1 3 391.353 3.830 20 0 GHADHM Clc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)cc1 ZINC000822567978 607173285 /nfs/dbraw/zinc/17/32/85/607173285.db2.gz JSWSMISCFIZAPS-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)cc1 ZINC000822567978 607173286 /nfs/dbraw/zinc/17/32/86/607173286.db2.gz JSWSMISCFIZAPS-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819959035 607189013 /nfs/dbraw/zinc/18/90/13/607189013.db2.gz VRRHYFSZZHHSMG-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819959035 607189014 /nfs/dbraw/zinc/18/90/14/607189014.db2.gz VRRHYFSZZHHSMG-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822161445 607189189 /nfs/dbraw/zinc/18/91/89/607189189.db2.gz PKOGKMSEZSYAQA-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822161445 607189190 /nfs/dbraw/zinc/18/91/90/607189190.db2.gz PKOGKMSEZSYAQA-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823313551 607190250 /nfs/dbraw/zinc/19/02/50/607190250.db2.gz DZDJKOAUMOULHO-QRWLVFNGSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@]12CCCc1ccccc12 ZINC000823313551 607190251 /nfs/dbraw/zinc/19/02/51/607190251.db2.gz DZDJKOAUMOULHO-QRWLVFNGSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823313483 607190315 /nfs/dbraw/zinc/19/03/15/607190315.db2.gz CGFAMHYFJTZDPS-ZJUUUORDSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823313483 607190316 /nfs/dbraw/zinc/19/03/16/607190316.db2.gz CGFAMHYFJTZDPS-ZJUUUORDSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(NCCCF)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000823187976 607193452 /nfs/dbraw/zinc/19/34/52/607193452.db2.gz RHUGEEVQGPFAAU-UHFFFAOYSA-N -1 3 390.806 3.794 20 0 GHADHM O=C(NCCCF)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000823187976 607193453 /nfs/dbraw/zinc/19/34/53/607193453.db2.gz RHUGEEVQGPFAAU-UHFFFAOYSA-N -1 3 390.806 3.794 20 0 GHADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c21 ZINC000822331293 607196558 /nfs/dbraw/zinc/19/65/58/607196558.db2.gz BXVMDZVFZSXABG-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c21 ZINC000822331293 607196559 /nfs/dbraw/zinc/19/65/59/607196559.db2.gz BXVMDZVFZSXABG-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM O=C(NCCCn1ccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823196521 607197529 /nfs/dbraw/zinc/19/75/29/607197529.db2.gz HRGVZQUIXYLGJM-UHFFFAOYSA-N -1 3 395.854 3.687 20 0 GHADHM O=C(NCCCn1ccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823196521 607197530 /nfs/dbraw/zinc/19/75/30/607197530.db2.gz HRGVZQUIXYLGJM-UHFFFAOYSA-N -1 3 395.854 3.687 20 0 GHADHM COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000821786238 607198305 /nfs/dbraw/zinc/19/83/05/607198305.db2.gz BZOYRXFSDIDPKO-CQSZACIVSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000821786238 607198306 /nfs/dbraw/zinc/19/83/06/607198306.db2.gz BZOYRXFSDIDPKO-CQSZACIVSA-N -1 3 398.854 3.550 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1ccccc1F)C1CC1 ZINC000823313436 607198507 /nfs/dbraw/zinc/19/85/07/607198507.db2.gz AQRUKKREVCMWGJ-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1ccccc1F)C1CC1 ZINC000823313436 607198508 /nfs/dbraw/zinc/19/85/08/607198508.db2.gz AQRUKKREVCMWGJ-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM Cc1ccc2c(CCNC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c2c1 ZINC000822274623 607201824 /nfs/dbraw/zinc/20/18/24/607201824.db2.gz CXWGMLOWVOOPON-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1ccc2c(CCNC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c2c1 ZINC000822274623 607201825 /nfs/dbraw/zinc/20/18/25/607201825.db2.gz CXWGMLOWVOOPON-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Sc1ccccc1 ZINC000820269537 607203159 /nfs/dbraw/zinc/20/31/59/607203159.db2.gz MWFWNGOBJISOBT-LLVKDONJSA-N -1 3 388.884 3.822 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Sc1ccccc1 ZINC000820269537 607203160 /nfs/dbraw/zinc/20/31/60/607203160.db2.gz MWFWNGOBJISOBT-LLVKDONJSA-N -1 3 388.884 3.822 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823313654 607203986 /nfs/dbraw/zinc/20/39/86/607203986.db2.gz GYTFMQZDDIHHEL-HNNXBMFYSA-N -1 3 397.870 3.629 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823313654 607203987 /nfs/dbraw/zinc/20/39/87/607203987.db2.gz GYTFMQZDDIHHEL-HNNXBMFYSA-N -1 3 397.870 3.629 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1cccc(Cn2cccn2)c1 ZINC000822723770 607227526 /nfs/dbraw/zinc/22/75/26/607227526.db2.gz NUDWBUDHNQBXBB-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1cccc(Cn2cccn2)c1 ZINC000822723770 607227527 /nfs/dbraw/zinc/22/75/27/607227527.db2.gz NUDWBUDHNQBXBB-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)ccc2o1 ZINC000819966195 607232441 /nfs/dbraw/zinc/23/24/41/607232441.db2.gz YKSJMPSSEIDUPB-UHFFFAOYSA-N -1 3 397.826 3.606 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)ccc2o1 ZINC000819966195 607232442 /nfs/dbraw/zinc/23/24/42/607232442.db2.gz YKSJMPSSEIDUPB-UHFFFAOYSA-N -1 3 397.826 3.606 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC000822352018 607234450 /nfs/dbraw/zinc/23/44/50/607234450.db2.gz UENVPQGGTFUGEN-INIZCTEOSA-N -1 3 384.871 3.741 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(C)(C)C ZINC000822352018 607234451 /nfs/dbraw/zinc/23/44/51/607234451.db2.gz UENVPQGGTFUGEN-INIZCTEOSA-N -1 3 384.871 3.741 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000823387824 607236131 /nfs/dbraw/zinc/23/61/31/607236131.db2.gz ZKTLXMZVHSCRGT-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000823387824 607236132 /nfs/dbraw/zinc/23/61/32/607236132.db2.gz ZKTLXMZVHSCRGT-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819959091 607241305 /nfs/dbraw/zinc/24/13/05/607241305.db2.gz XVMXUHOANPSTCQ-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819959091 607241306 /nfs/dbraw/zinc/24/13/06/607241306.db2.gz XVMXUHOANPSTCQ-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958676 607241696 /nfs/dbraw/zinc/24/16/96/607241696.db2.gz AKLPSDYNFGXAPA-UHFFFAOYSA-N -1 3 377.782 3.760 20 0 GHADHM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958676 607241697 /nfs/dbraw/zinc/24/16/97/607241697.db2.gz AKLPSDYNFGXAPA-UHFFFAOYSA-N -1 3 377.782 3.760 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820004822 607242145 /nfs/dbraw/zinc/24/21/45/607242145.db2.gz DPOJQQKOQNMNGM-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820004822 607242146 /nfs/dbraw/zinc/24/21/46/607242146.db2.gz DPOJQQKOQNMNGM-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)c2cccnc12 ZINC000823319808 607242760 /nfs/dbraw/zinc/24/27/60/607242760.db2.gz YLKJUQZVDWYEOV-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)c2cccnc12 ZINC000823319808 607242761 /nfs/dbraw/zinc/24/27/61/607242761.db2.gz YLKJUQZVDWYEOV-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1cccc2ccsc21)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826457230 607776961 /nfs/dbraw/zinc/77/69/61/607776961.db2.gz RZBDJRNIAXRNQF-KRWDZBQOSA-N -1 3 390.472 3.689 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915140 607782318 /nfs/dbraw/zinc/78/23/18/607782318.db2.gz BKHPFNGQENTDRV-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915140 607782319 /nfs/dbraw/zinc/78/23/19/607782319.db2.gz BKHPFNGQENTDRV-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825125951 607782443 /nfs/dbraw/zinc/78/24/43/607782443.db2.gz GAWUXVUXSYKHDQ-KRWDZBQOSA-N -1 3 396.520 3.579 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825125951 607782444 /nfs/dbraw/zinc/78/24/44/607782444.db2.gz GAWUXVUXSYKHDQ-KRWDZBQOSA-N -1 3 396.520 3.579 20 0 GHADHM CC(C)OC1CCC(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824309858 607783651 /nfs/dbraw/zinc/78/36/51/607783651.db2.gz XOGUAHHFLGILDX-UHFFFAOYSA-N -1 3 394.932 3.543 20 0 GHADHM CC(C)OC1CCC(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824309858 607783652 /nfs/dbraw/zinc/78/36/52/607783652.db2.gz XOGUAHHFLGILDX-UHFFFAOYSA-N -1 3 394.932 3.543 20 0 GHADHM CN(C(=O)Cc1csc2ccc(Cl)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820707 607785713 /nfs/dbraw/zinc/78/57/13/607785713.db2.gz PVBUHOQWIGDUQL-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CN(C(=O)Cc1csc2ccc(Cl)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820707 607785714 /nfs/dbraw/zinc/78/57/14/607785714.db2.gz PVBUHOQWIGDUQL-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CN(C(=O)c1ccc(Cl)cc1Br)c1ccccc1-c1nnn[n-]1 ZINC000825829928 607786527 /nfs/dbraw/zinc/78/65/27/607786527.db2.gz KQRQHKOZNDQCDE-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Cl)cc1Br)c1ccccc1-c1nn[n-]n1 ZINC000825829928 607786528 /nfs/dbraw/zinc/78/65/28/607786528.db2.gz KQRQHKOZNDQCDE-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825811954 607790515 /nfs/dbraw/zinc/79/05/15/607790515.db2.gz DNVKIELKTQMBNS-CQSZACIVSA-N -1 3 375.354 3.566 20 0 GHADHM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825811954 607790516 /nfs/dbraw/zinc/79/05/16/607790516.db2.gz DNVKIELKTQMBNS-CQSZACIVSA-N -1 3 375.354 3.566 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380567 607797409 /nfs/dbraw/zinc/79/74/09/607797409.db2.gz RGFYBLASSOIJKR-UHFFFAOYSA-N -1 3 377.379 3.933 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380567 607797410 /nfs/dbraw/zinc/79/74/10/607797410.db2.gz RGFYBLASSOIJKR-UHFFFAOYSA-N -1 3 377.379 3.933 20 0 GHADHM C[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000736155063 607800878 /nfs/dbraw/zinc/80/08/78/607800878.db2.gz GOHWAYAWSIDFAH-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000736155063 607800879 /nfs/dbraw/zinc/80/08/79/607800879.db2.gz GOHWAYAWSIDFAH-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000826286647 607819371 /nfs/dbraw/zinc/81/93/71/607819371.db2.gz KQBQDMMXAJRTON-UHFFFAOYSA-N -1 3 393.378 3.881 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000826286647 607819372 /nfs/dbraw/zinc/81/93/72/607819372.db2.gz KQBQDMMXAJRTON-UHFFFAOYSA-N -1 3 393.378 3.881 20 0 GHADHM CN(C)c1cccc([C@@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825880056 607842206 /nfs/dbraw/zinc/84/22/06/607842206.db2.gz WDZZEWUASJJNIC-FQEVSTJZSA-N -1 3 385.475 3.822 20 0 GHADHM CN(C)c1cccc([C@@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825880056 607842207 /nfs/dbraw/zinc/84/22/07/607842207.db2.gz WDZZEWUASJJNIC-FQEVSTJZSA-N -1 3 385.475 3.822 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCC(C)CC1 ZINC000824915343 607844546 /nfs/dbraw/zinc/84/45/46/607844546.db2.gz DDZUVGUUEVDXTJ-QWKFWESOSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCC(C)CC1 ZINC000824915343 607844547 /nfs/dbraw/zinc/84/45/47/607844547.db2.gz DDZUVGUUEVDXTJ-QWKFWESOSA-N -1 3 379.917 3.696 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N(Cc1ccccc1)C1CC1 ZINC000826421238 607845119 /nfs/dbraw/zinc/84/51/19/607845119.db2.gz YIZOOGJSCIKTDG-UHFFFAOYSA-N -1 3 399.907 3.803 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N(Cc1ccccc1)C1CC1 ZINC000826421238 607845120 /nfs/dbraw/zinc/84/51/20/607845120.db2.gz YIZOOGJSCIKTDG-UHFFFAOYSA-N -1 3 399.907 3.803 20 0 GHADHM O=C(Oc1cc(Br)ccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000826468032 607866415 /nfs/dbraw/zinc/86/64/15/607866415.db2.gz WOKTXEAKZJMXCO-UHFFFAOYSA-N -1 3 385.630 3.563 20 0 GHADHM CCN(C(=O)COc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371449 607878057 /nfs/dbraw/zinc/87/80/57/607878057.db2.gz GTZDYLWEGNIIFK-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371449 607878058 /nfs/dbraw/zinc/87/80/58/607878058.db2.gz GTZDYLWEGNIIFK-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826398754 607881297 /nfs/dbraw/zinc/88/12/97/607881297.db2.gz FCYGLLVJECGKQK-QXAKKESOSA-N -1 3 379.508 3.964 20 0 GHADHM O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826398754 607881298 /nfs/dbraw/zinc/88/12/98/607881298.db2.gz FCYGLLVJECGKQK-QXAKKESOSA-N -1 3 379.508 3.964 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@@H]2CCCC(C)(C)C2)c1C ZINC000826331442 607904331 /nfs/dbraw/zinc/90/43/31/607904331.db2.gz IMEDNZPVIQTIQW-MRXNPFEDSA-N -1 3 393.495 3.824 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323871 607913233 /nfs/dbraw/zinc/91/32/33/607913233.db2.gz VKILQVUUXXVYKO-BMSUMIBZSA-N -1 3 396.520 3.988 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323871 607913234 /nfs/dbraw/zinc/91/32/34/607913234.db2.gz VKILQVUUXXVYKO-BMSUMIBZSA-N -1 3 396.520 3.988 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000826298061 607931944 /nfs/dbraw/zinc/93/19/44/607931944.db2.gz BQTSHJJNFHTMTH-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000826298061 607931945 /nfs/dbraw/zinc/93/19/45/607931945.db2.gz BQTSHJJNFHTMTH-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826224896 607932651 /nfs/dbraw/zinc/93/26/51/607932651.db2.gz OMZHTAOZVWOJPU-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM CS[C@@H](C)CC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826224896 607932652 /nfs/dbraw/zinc/93/26/52/607932652.db2.gz OMZHTAOZVWOJPU-ZDUSSCGKSA-N -1 3 383.477 3.526 20 0 GHADHM CS[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000826224987 607933255 /nfs/dbraw/zinc/93/32/55/607933255.db2.gz QQTFSTYYBDAELF-AWEZNQCLSA-N -1 3 399.495 3.676 20 0 GHADHM CS[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826224987 607933256 /nfs/dbraw/zinc/93/32/56/607933256.db2.gz QQTFSTYYBDAELF-AWEZNQCLSA-N -1 3 399.495 3.676 20 0 GHADHM CS[C@@H](C)CC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000826224975 607939112 /nfs/dbraw/zinc/93/91/12/607939112.db2.gz QJADXSKMUMQPEJ-AWEZNQCLSA-N -1 3 399.495 3.989 20 0 GHADHM CS[C@@H](C)CC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000826224975 607939113 /nfs/dbraw/zinc/93/91/13/607939113.db2.gz QJADXSKMUMQPEJ-AWEZNQCLSA-N -1 3 399.495 3.989 20 0 GHADHM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826471124 607947530 /nfs/dbraw/zinc/94/75/30/607947530.db2.gz NVVBDIPORJGMLB-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826471124 607947531 /nfs/dbraw/zinc/94/75/31/607947531.db2.gz NVVBDIPORJGMLB-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826284909 607950231 /nfs/dbraw/zinc/95/02/31/607950231.db2.gz JTPUVASYWFZCPK-VQTJNVASSA-N -1 3 392.459 3.571 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826284909 607950232 /nfs/dbraw/zinc/95/02/32/607950232.db2.gz JTPUVASYWFZCPK-VQTJNVASSA-N -1 3 392.459 3.571 20 0 GHADHM CCc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1CC(C)C ZINC000825694604 607961656 /nfs/dbraw/zinc/96/16/56/607961656.db2.gz VZLPIQPHAKJZIN-UHFFFAOYSA-N -1 3 388.863 3.579 20 0 GHADHM CCc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1CC(C)C ZINC000825694604 607961657 /nfs/dbraw/zinc/96/16/57/607961657.db2.gz VZLPIQPHAKJZIN-UHFFFAOYSA-N -1 3 388.863 3.579 20 0 GHADHM COC1CCC(CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CC1 ZINC000826144334 607996063 /nfs/dbraw/zinc/99/60/63/607996063.db2.gz GVDHMMCVEVOMMN-UHFFFAOYSA-N -1 3 398.492 3.524 20 0 GHADHM COC1CCC(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CC1 ZINC000826144334 607996064 /nfs/dbraw/zinc/99/60/64/607996064.db2.gz GVDHMMCVEVOMMN-UHFFFAOYSA-N -1 3 398.492 3.524 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826273471 608006590 /nfs/dbraw/zinc/00/65/90/608006590.db2.gz GCRSJJUKUHTVBJ-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826273471 608006591 /nfs/dbraw/zinc/00/65/91/608006591.db2.gz GCRSJJUKUHTVBJ-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM CC(C)(C)C1=CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000824071484 608006881 /nfs/dbraw/zinc/00/68/81/608006881.db2.gz IVVVOHUYESXSKK-UHFFFAOYSA-N -1 3 392.410 3.678 20 0 GHADHM CC(C)(C)C1=CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000824071484 608006882 /nfs/dbraw/zinc/00/68/82/608006882.db2.gz IVVVOHUYESXSKK-UHFFFAOYSA-N -1 3 392.410 3.678 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826185521 608007297 /nfs/dbraw/zinc/00/72/97/608007297.db2.gz MCRXGODMZFVKBE-SFHVURJKSA-N -1 3 396.426 3.596 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826185521 608007298 /nfs/dbraw/zinc/00/72/98/608007298.db2.gz MCRXGODMZFVKBE-SFHVURJKSA-N -1 3 396.426 3.596 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCc2ccsc2C1 ZINC000826374847 608019078 /nfs/dbraw/zinc/01/90/78/608019078.db2.gz OASYVSCIRFOCOO-UHFFFAOYSA-N -1 3 386.843 3.832 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCc2ccsc2C1 ZINC000826374847 608019079 /nfs/dbraw/zinc/01/90/79/608019079.db2.gz OASYVSCIRFOCOO-UHFFFAOYSA-N -1 3 386.843 3.832 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc[nH]1 ZINC000824506211 608031134 /nfs/dbraw/zinc/03/11/34/608031134.db2.gz MOGAAJSCNCHFBZ-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc[nH]1 ZINC000824506211 608031135 /nfs/dbraw/zinc/03/11/35/608031135.db2.gz MOGAAJSCNCHFBZ-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCCc2sccc2C1 ZINC000823827155 608049990 /nfs/dbraw/zinc/04/99/90/608049990.db2.gz VLQMQTUAXKLOPH-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM CCc1nc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2Br)cs1 ZINC000825746204 608050216 /nfs/dbraw/zinc/05/02/16/608050216.db2.gz SVITUHCUFZBBSD-MRVPVSSYSA-N -1 3 379.287 3.821 20 0 GHADHM Cc1cnc([C@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C2CC2)s1 ZINC000826317529 608050716 /nfs/dbraw/zinc/05/07/16/608050716.db2.gz GHZFGLBJOQWSKH-CYBMUJFWSA-N -1 3 391.298 3.957 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000823826870 608051151 /nfs/dbraw/zinc/05/11/51/608051151.db2.gz QAODMTBOAGCBHC-GFCCVEGCSA-N -1 3 378.274 3.533 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000826372206 608056148 /nfs/dbraw/zinc/05/61/48/608056148.db2.gz MNTUBNVTIZLXDC-UHFFFAOYSA-N -1 3 383.818 3.516 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000826372206 608056149 /nfs/dbraw/zinc/05/61/49/608056149.db2.gz MNTUBNVTIZLXDC-UHFFFAOYSA-N -1 3 383.818 3.516 20 0 GHADHM Clc1cccc2c1CC[C@H]2N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353371 608070958 /nfs/dbraw/zinc/07/09/58/608070958.db2.gz MNNRTUIFNOIEGR-RTBURBONSA-N -1 3 381.867 3.581 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824248811 608119494 /nfs/dbraw/zinc/11/94/94/608119494.db2.gz CNDSIQDEEGFSNV-ZDUSSCGKSA-N -1 3 385.418 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824248811 608119495 /nfs/dbraw/zinc/11/94/95/608119495.db2.gz CNDSIQDEEGFSNV-ZDUSSCGKSA-N -1 3 385.418 3.938 20 0 GHADHM COc1ccccc1-c1cc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)on1 ZINC000826218216 608132363 /nfs/dbraw/zinc/13/23/63/608132363.db2.gz TYCHAHGCFQQARL-LBPRGKRZSA-N -1 3 394.410 3.520 20 0 GHADHM COc1ccccc1-c1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)on1 ZINC000826218216 608132364 /nfs/dbraw/zinc/13/23/64/608132364.db2.gz TYCHAHGCFQQARL-LBPRGKRZSA-N -1 3 394.410 3.520 20 0 GHADHM CCc1cnc(CNCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000825733606 608133654 /nfs/dbraw/zinc/13/36/54/608133654.db2.gz FTOILFMLESZOFV-UHFFFAOYSA-N -1 3 376.489 3.842 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000824045065 608156846 /nfs/dbraw/zinc/15/68/46/608156846.db2.gz FMHRXCBWZYFJEC-MRVPVSSYSA-N -1 3 397.307 3.906 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000824045065 608156847 /nfs/dbraw/zinc/15/68/47/608156847.db2.gz FMHRXCBWZYFJEC-MRVPVSSYSA-N -1 3 397.307 3.906 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520699 608168868 /nfs/dbraw/zinc/16/88/68/608168868.db2.gz BRRPARLSOIFRDH-CQSZACIVSA-N -1 3 388.431 3.563 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520699 608168870 /nfs/dbraw/zinc/16/88/70/608168870.db2.gz BRRPARLSOIFRDH-CQSZACIVSA-N -1 3 388.431 3.563 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC000826185863 608206588 /nfs/dbraw/zinc/20/65/88/608206588.db2.gz WKIHQAGMUGPFCL-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC000826185863 608206590 /nfs/dbraw/zinc/20/65/90/608206590.db2.gz WKIHQAGMUGPFCL-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cn1 ZINC000824757263 608207245 /nfs/dbraw/zinc/20/72/45/608207245.db2.gz VEUHUECEVASBPJ-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cn1 ZINC000824757263 608207246 /nfs/dbraw/zinc/20/72/46/608207246.db2.gz VEUHUECEVASBPJ-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM Brc1ccc2ccc(C=Cc3ccc(-c4nnn[n-]4)cn3)nc2c1 ZINC000823832297 608212433 /nfs/dbraw/zinc/21/24/33/608212433.db2.gz LGVPTMKRANXJIY-BQYQJAHWSA-N -1 3 379.221 3.743 20 0 GHADHM Brc1ccc2ccc(C=Cc3ccc(-c4nn[n-]n4)cn3)nc2c1 ZINC000823832297 608212434 /nfs/dbraw/zinc/21/24/34/608212434.db2.gz LGVPTMKRANXJIY-BQYQJAHWSA-N -1 3 379.221 3.743 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000826185271 608222099 /nfs/dbraw/zinc/22/20/99/608222099.db2.gz FQNILFMRYPTDGM-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000826185271 608222100 /nfs/dbraw/zinc/22/21/00/608222100.db2.gz FQNILFMRYPTDGM-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM c1cc(OC2CCCC2)ncc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826517501 608224034 /nfs/dbraw/zinc/22/40/34/608224034.db2.gz FOSKDDKNXGEKOU-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1cc(OC2CCCC2)ncc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826517501 608224036 /nfs/dbraw/zinc/22/40/36/608224036.db2.gz FOSKDDKNXGEKOU-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1cc2nc(N3CCC(OC4CCCCC4)CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518245 608225882 /nfs/dbraw/zinc/22/58/82/608225882.db2.gz HIWMLXSKNZEPMO-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM c1cc2nc(N3CCC(OC4CCCCC4)CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518245 608225884 /nfs/dbraw/zinc/22/58/84/608225884.db2.gz HIWMLXSKNZEPMO-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM C[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000825000747 608230278 /nfs/dbraw/zinc/23/02/78/608230278.db2.gz UFZFCUHBXKSBBY-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000825000747 608230280 /nfs/dbraw/zinc/23/02/80/608230280.db2.gz UFZFCUHBXKSBBY-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM COc1ccc(C2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826190841 608230307 /nfs/dbraw/zinc/23/03/07/608230307.db2.gz PETZCYBHQPTHLB-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1ccc(C2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826190841 608230309 /nfs/dbraw/zinc/23/03/09/608230309.db2.gz PETZCYBHQPTHLB-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826262389 608233992 /nfs/dbraw/zinc/23/39/92/608233992.db2.gz NNMAXOULXVTGCB-GOSISDBHSA-N -1 3 375.411 3.614 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826262389 608233994 /nfs/dbraw/zinc/23/39/94/608233994.db2.gz NNMAXOULXVTGCB-GOSISDBHSA-N -1 3 375.411 3.614 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367550 608236537 /nfs/dbraw/zinc/23/65/37/608236537.db2.gz SNCCILKYPHLVEV-GHAIFCDISA-N -1 3 386.459 3.971 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367550 608236538 /nfs/dbraw/zinc/23/65/38/608236538.db2.gz SNCCILKYPHLVEV-GHAIFCDISA-N -1 3 386.459 3.971 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824293541 608237504 /nfs/dbraw/zinc/23/75/04/608237504.db2.gz QVHFSTCLWHHERZ-UXBLZVDNSA-N -1 3 386.459 3.798 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824293541 608237507 /nfs/dbraw/zinc/23/75/07/608237507.db2.gz QVHFSTCLWHHERZ-UXBLZVDNSA-N -1 3 386.459 3.798 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825192030 608240318 /nfs/dbraw/zinc/24/03/18/608240318.db2.gz FVOIDZUIAVPBJY-IUODEOHRSA-N -1 3 397.508 3.709 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825192030 608240319 /nfs/dbraw/zinc/24/03/19/608240319.db2.gz FVOIDZUIAVPBJY-IUODEOHRSA-N -1 3 397.508 3.709 20 0 GHADHM O=C(CSCc1cccc(F)c1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826420689 608240568 /nfs/dbraw/zinc/24/05/68/608240568.db2.gz XNIWXSOEXVZAAX-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1cccc(F)c1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826420689 608240570 /nfs/dbraw/zinc/24/05/70/608240570.db2.gz XNIWXSOEXVZAAX-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM CCCCn1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)n1 ZINC000825302225 608293747 /nfs/dbraw/zinc/29/37/47/608293747.db2.gz YNLXTYFVVTZXDE-UHFFFAOYSA-N -1 3 379.390 3.803 20 0 GHADHM CCCCn1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)n1 ZINC000825302225 608293748 /nfs/dbraw/zinc/29/37/48/608293748.db2.gz YNLXTYFVVTZXDE-UHFFFAOYSA-N -1 3 379.390 3.803 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368584 608296488 /nfs/dbraw/zinc/29/64/88/608296488.db2.gz VHTGOVJDAIYUCQ-STQMWFEESA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368584 608296490 /nfs/dbraw/zinc/29/64/90/608296490.db2.gz VHTGOVJDAIYUCQ-STQMWFEESA-N -1 3 381.402 3.529 20 0 GHADHM O[C@@H](CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc2ccccc2s1 ZINC000826503884 608297591 /nfs/dbraw/zinc/29/75/91/608297591.db2.gz IXDITVAEXRVICY-INIZCTEOSA-N -1 3 392.488 3.501 20 0 GHADHM O[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc2ccccc2s1 ZINC000826503884 608297592 /nfs/dbraw/zinc/29/75/92/608297592.db2.gz IXDITVAEXRVICY-INIZCTEOSA-N -1 3 392.488 3.501 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826263917 608298449 /nfs/dbraw/zinc/29/84/49/608298449.db2.gz VVHDEJGBSSUJKP-IRXDYDNUSA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826263917 608298451 /nfs/dbraw/zinc/29/84/51/608298451.db2.gz VVHDEJGBSSUJKP-IRXDYDNUSA-N -1 3 392.507 3.675 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826368276 608298544 /nfs/dbraw/zinc/29/85/44/608298544.db2.gz JQTYECGBOJXYHR-QWHCGFSZSA-N -1 3 381.402 3.529 20 0 GHADHM CS[C@@H](C)CCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826226082 608301509 /nfs/dbraw/zinc/30/15/09/608301509.db2.gz ROZUXIFCMDTWKP-LBPRGKRZSA-N -1 3 387.534 3.743 20 0 GHADHM O=C(Cc1ccccc1F)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826423838 608304071 /nfs/dbraw/zinc/30/40/71/608304071.db2.gz JBKHWXOKFDZIKS-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1ccccc1F)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826423838 608304073 /nfs/dbraw/zinc/30/40/73/608304073.db2.gz JBKHWXOKFDZIKS-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1cccc(F)c1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826423229 608304201 /nfs/dbraw/zinc/30/42/01/608304201.db2.gz DURQLZIOBZHTFP-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1cccc(F)c1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826423229 608304202 /nfs/dbraw/zinc/30/42/02/608304202.db2.gz DURQLZIOBZHTFP-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000826440847 608305997 /nfs/dbraw/zinc/30/59/97/608305997.db2.gz CRJFVYMHWSRWMR-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000826440847 608305999 /nfs/dbraw/zinc/30/59/99/608305999.db2.gz CRJFVYMHWSRWMR-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM CSc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1F ZINC000826229730 608309497 /nfs/dbraw/zinc/30/94/97/608309497.db2.gz PDUVRBNDQBOOAU-UHFFFAOYSA-N -1 3 377.832 3.658 20 0 GHADHM CSc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000826229730 608309499 /nfs/dbraw/zinc/30/94/99/608309499.db2.gz PDUVRBNDQBOOAU-UHFFFAOYSA-N -1 3 377.832 3.658 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824284620 608310153 /nfs/dbraw/zinc/31/01/53/608310153.db2.gz KFNBHNLIIOLVLU-UHFFFAOYSA-N -1 3 396.499 3.507 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824284620 608310155 /nfs/dbraw/zinc/31/01/55/608310155.db2.gz KFNBHNLIIOLVLU-UHFFFAOYSA-N -1 3 396.499 3.507 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1C ZINC000824957604 608313250 /nfs/dbraw/zinc/31/32/50/608313250.db2.gz XZMFUCQXNYNWJG-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000824957604 608313251 /nfs/dbraw/zinc/31/32/51/608313251.db2.gz XZMFUCQXNYNWJG-HUUCEWRRSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1C ZINC000824957606 608313305 /nfs/dbraw/zinc/31/33/05/608313305.db2.gz XZMFUCQXNYNWJG-LSDHHAIUSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000824957606 608313307 /nfs/dbraw/zinc/31/33/07/608313307.db2.gz XZMFUCQXNYNWJG-LSDHHAIUSA-N -1 3 377.448 3.777 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000825669365 608321665 /nfs/dbraw/zinc/32/16/65/608321665.db2.gz WENPSTRPPGDYLW-SNVBAGLBSA-N -1 3 392.510 3.506 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000825669365 608321666 /nfs/dbraw/zinc/32/16/66/608321666.db2.gz WENPSTRPPGDYLW-SNVBAGLBSA-N -1 3 392.510 3.506 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000824019730 608328694 /nfs/dbraw/zinc/32/86/94/608328694.db2.gz MPOBGQSJUSTFSG-UHFFFAOYSA-N -1 3 397.438 3.666 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000824019730 608328695 /nfs/dbraw/zinc/32/86/95/608328695.db2.gz MPOBGQSJUSTFSG-UHFFFAOYSA-N -1 3 397.438 3.666 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1(c2ccccc2)CC1 ZINC000826440489 608330429 /nfs/dbraw/zinc/33/04/29/608330429.db2.gz ODHSEXJQISMQSA-UHFFFAOYSA-N -1 3 395.466 3.882 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1(c2ccccc2)CC1 ZINC000826440489 608330430 /nfs/dbraw/zinc/33/04/30/608330430.db2.gz ODHSEXJQISMQSA-UHFFFAOYSA-N -1 3 395.466 3.882 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366573 608344269 /nfs/dbraw/zinc/34/42/69/608344269.db2.gz CGGFYBCOTQSNBV-UHFFFAOYSA-N -1 3 395.772 3.804 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366573 608344270 /nfs/dbraw/zinc/34/42/70/608344270.db2.gz CGGFYBCOTQSNBV-UHFFFAOYSA-N -1 3 395.772 3.804 20 0 GHADHM CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380011 608345363 /nfs/dbraw/zinc/34/53/63/608345363.db2.gz NJOLLVBWCDMDJN-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380011 608345365 /nfs/dbraw/zinc/34/53/65/608345365.db2.gz NJOLLVBWCDMDJN-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1sccc1SC(F)F ZINC000826172891 608351304 /nfs/dbraw/zinc/35/13/04/608351304.db2.gz CGMJYXQSOINFGN-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1sccc1SC(F)F ZINC000826172891 608351305 /nfs/dbraw/zinc/35/13/05/608351305.db2.gz CGMJYXQSOINFGN-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1ccccc1C(F)(F)F ZINC000826167572 608351928 /nfs/dbraw/zinc/35/19/28/608351928.db2.gz JPTSBQYFKXIISE-UHFFFAOYSA-N -1 3 377.370 3.526 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CCC2(CCC2)C1 ZINC000826440891 608357032 /nfs/dbraw/zinc/35/70/32/608357032.db2.gz FEWVMIMVMDGIDW-UHFFFAOYSA-N -1 3 388.475 3.619 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CCC2(CCC2)C1 ZINC000826440891 608357034 /nfs/dbraw/zinc/35/70/34/608357034.db2.gz FEWVMIMVMDGIDW-UHFFFAOYSA-N -1 3 388.475 3.619 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)c1c[nH]c2ncccc12 ZINC000824756641 608402340 /nfs/dbraw/zinc/40/23/40/608402340.db2.gz POZOYQTVBYCREF-SECBINFHSA-N -1 3 384.852 3.760 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)c1c[nH]c2ncccc12 ZINC000824756641 608402342 /nfs/dbraw/zinc/40/23/42/608402342.db2.gz POZOYQTVBYCREF-SECBINFHSA-N -1 3 384.852 3.760 20 0 GHADHM CC[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1OC(F)F ZINC000825147616 608456520 /nfs/dbraw/zinc/45/65/20/608456520.db2.gz KQWFCGSTBMJXQS-CQSZACIVSA-N -1 3 377.370 3.848 20 0 GHADHM O=C(Nc1ccc(Cl)cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826453730 608469835 /nfs/dbraw/zinc/46/98/35/608469835.db2.gz XDYDBDVZPNGBKG-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(Cl)cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826453730 608469836 /nfs/dbraw/zinc/46/98/36/608469836.db2.gz XDYDBDVZPNGBKG-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824457609 608477883 /nfs/dbraw/zinc/47/78/83/608477883.db2.gz QTBZSHDYSCDWJI-OAHLLOKOSA-N -1 3 391.450 3.500 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824457609 608477885 /nfs/dbraw/zinc/47/78/85/608477885.db2.gz QTBZSHDYSCDWJI-OAHLLOKOSA-N -1 3 391.450 3.500 20 0 GHADHM CCSc1ccccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825674350 608483189 /nfs/dbraw/zinc/48/31/89/608483189.db2.gz JXBBEUUMRPCINU-UHFFFAOYSA-N -1 3 391.500 3.908 20 0 GHADHM CCSc1ccccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825674350 608483192 /nfs/dbraw/zinc/48/31/92/608483192.db2.gz JXBBEUUMRPCINU-UHFFFAOYSA-N -1 3 391.500 3.908 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826323660 608483853 /nfs/dbraw/zinc/48/38/53/608483853.db2.gz MKQAHUVILHPRCA-UHFFFAOYSA-N -1 3 394.504 3.685 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826323660 608483854 /nfs/dbraw/zinc/48/38/54/608483854.db2.gz MKQAHUVILHPRCA-UHFFFAOYSA-N -1 3 394.504 3.685 20 0 GHADHM O=C(c1ccccc1C(F)(F)F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474437 608487290 /nfs/dbraw/zinc/48/72/90/608487290.db2.gz PRTCBARXBLSPKJ-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM O=C(c1ccccc1C(F)(F)F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474437 608487291 /nfs/dbraw/zinc/48/72/91/608487291.db2.gz PRTCBARXBLSPKJ-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM O=C(c1ccc(F)cc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473430 608487392 /nfs/dbraw/zinc/48/73/92/608487392.db2.gz XZGISJJQRASPDB-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1ccc(F)cc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473430 608487394 /nfs/dbraw/zinc/48/73/94/608487394.db2.gz XZGISJJQRASPDB-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM C[C@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506750 608509034 /nfs/dbraw/zinc/50/90/34/608509034.db2.gz QGPARMVUWIQIEZ-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506750 608509035 /nfs/dbraw/zinc/50/90/35/608509035.db2.gz QGPARMVUWIQIEZ-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1c(Cl)cccc1OC(F)F ZINC000825958425 608525993 /nfs/dbraw/zinc/52/59/93/608525993.db2.gz VYRWTVICMVMTRI-UHFFFAOYSA-N -1 3 379.798 3.754 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1c(Cl)cccc1OC(F)F ZINC000825958425 608525994 /nfs/dbraw/zinc/52/59/94/608525994.db2.gz VYRWTVICMVMTRI-UHFFFAOYSA-N -1 3 379.798 3.754 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCC1=O ZINC000824868234 608539297 /nfs/dbraw/zinc/53/92/97/608539297.db2.gz UHXSDHXYBWVLNG-VXGBXAGGSA-N -1 3 387.509 3.531 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCC1=O ZINC000824868234 608539298 /nfs/dbraw/zinc/53/92/98/608539298.db2.gz UHXSDHXYBWVLNG-VXGBXAGGSA-N -1 3 387.509 3.531 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1OC(F)(F)F ZINC000826452426 608540725 /nfs/dbraw/zinc/54/07/25/608540725.db2.gz SXHPFKXKNAJFHP-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1OC(F)(F)F ZINC000826452426 608540726 /nfs/dbraw/zinc/54/07/26/608540726.db2.gz SXHPFKXKNAJFHP-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM Fc1ccc(COC2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000826374608 608558820 /nfs/dbraw/zinc/55/88/20/608558820.db2.gz FSHGWPYLSXVMIK-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccc(COC2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000826374608 608558822 /nfs/dbraw/zinc/55/88/22/608558822.db2.gz FSHGWPYLSXVMIK-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM O=C(Nc1ccccc1Br)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457968 608572300 /nfs/dbraw/zinc/57/23/00/608572300.db2.gz XIFCNEHTZLAAMD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccccc1Br)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457968 608572302 /nfs/dbraw/zinc/57/23/02/608572302.db2.gz XIFCNEHTZLAAMD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826441042 608572308 /nfs/dbraw/zinc/57/23/08/608572308.db2.gz LDSYDTZVZQAHOJ-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826441042 608572310 /nfs/dbraw/zinc/57/23/10/608572310.db2.gz LDSYDTZVZQAHOJ-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1sccc1-c1nnn[n-]1 ZINC000826452827 608592745 /nfs/dbraw/zinc/59/27/45/608592745.db2.gz KIJRYANKGDQNDG-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1sccc1-c1nn[n-]n1 ZINC000826452827 608592749 /nfs/dbraw/zinc/59/27/49/608592749.db2.gz KIJRYANKGDQNDG-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826339893 608601324 /nfs/dbraw/zinc/60/13/24/608601324.db2.gz YQOGUZZHTTXRLB-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cc1noc(C)c1NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826339893 608601325 /nfs/dbraw/zinc/60/13/25/608601325.db2.gz YQOGUZZHTTXRLB-UHFFFAOYSA-N -1 3 391.391 3.908 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826355127 608621071 /nfs/dbraw/zinc/62/10/71/608621071.db2.gz KZKNZHXXSWYEJM-INIZCTEOSA-N -1 3 379.493 3.542 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826355127 608621074 /nfs/dbraw/zinc/62/10/74/608621074.db2.gz KZKNZHXXSWYEJM-INIZCTEOSA-N -1 3 379.493 3.542 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1c(F)cccc1Cl ZINC000826406313 608672866 /nfs/dbraw/zinc/67/28/66/608672866.db2.gz QTSJZSWBHXTPOA-UHFFFAOYSA-N -1 3 390.802 3.814 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1c(F)cccc1Cl ZINC000826406313 608672868 /nfs/dbraw/zinc/67/28/68/608672868.db2.gz QTSJZSWBHXTPOA-UHFFFAOYSA-N -1 3 390.802 3.814 20 0 GHADHM COc1ccc2cc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c(C)nc2c1 ZINC000826213042 608822489 /nfs/dbraw/zinc/82/24/89/608822489.db2.gz JMLAAYAUOAYBCS-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2cc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c(C)nc2c1 ZINC000826213042 608822493 /nfs/dbraw/zinc/82/24/93/608822493.db2.gz JMLAAYAUOAYBCS-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826334283 608844424 /nfs/dbraw/zinc/84/44/24/608844424.db2.gz OWJGHKHDNYLLHA-CQSZACIVSA-N -1 3 389.891 3.611 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826334283 608844426 /nfs/dbraw/zinc/84/44/26/608844426.db2.gz OWJGHKHDNYLLHA-CQSZACIVSA-N -1 3 389.891 3.611 20 0 GHADHM COc1ccc(OCc2nc(CNc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000826211853 608868375 /nfs/dbraw/zinc/86/83/75/608868375.db2.gz XCOGXLPPDSXYOM-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM CCN(C(=O)Cc1ccccc1SC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376872 609162921 /nfs/dbraw/zinc/16/29/21/609162921.db2.gz OPHZBLQMCOFZFV-AWEZNQCLSA-N -1 3 381.505 3.741 20 0 GHADHM CCN(C(=O)Cc1ccccc1SC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376872 609162922 /nfs/dbraw/zinc/16/29/22/609162922.db2.gz OPHZBLQMCOFZFV-AWEZNQCLSA-N -1 3 381.505 3.741 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427263 609198305 /nfs/dbraw/zinc/19/83/05/609198305.db2.gz KZEAIAXXOQERHR-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427263 609198307 /nfs/dbraw/zinc/19/83/07/609198307.db2.gz KZEAIAXXOQERHR-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM CSc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826230678 609205683 /nfs/dbraw/zinc/20/56/83/609205683.db2.gz FINDTNALTKOUER-UHFFFAOYSA-N -1 3 393.394 3.789 20 0 GHADHM CSc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826230678 609205685 /nfs/dbraw/zinc/20/56/85/609205685.db2.gz FINDTNALTKOUER-UHFFFAOYSA-N -1 3 393.394 3.789 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427078 609225640 /nfs/dbraw/zinc/22/56/40/609225640.db2.gz FPVLHYQEVQSVLV-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427078 609225642 /nfs/dbraw/zinc/22/56/42/609225642.db2.gz FPVLHYQEVQSVLV-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657533 609236926 /nfs/dbraw/zinc/23/69/26/609236926.db2.gz QUSVIAVYOKPCCB-AWEZNQCLSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657533 609236927 /nfs/dbraw/zinc/23/69/27/609236927.db2.gz QUSVIAVYOKPCCB-AWEZNQCLSA-N -1 3 397.454 3.984 20 0 GHADHM C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657217 609237130 /nfs/dbraw/zinc/23/71/30/609237130.db2.gz PSUCXFCGGODTBR-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657217 609237132 /nfs/dbraw/zinc/23/71/32/609237132.db2.gz PSUCXFCGGODTBR-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM CC(C)c1noc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000824371476 609265547 /nfs/dbraw/zinc/26/55/47/609265547.db2.gz HCLPGPKPTMDELZ-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)c1noc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000824371476 609265549 /nfs/dbraw/zinc/26/55/49/609265549.db2.gz HCLPGPKPTMDELZ-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM c1sc(CNc2nnc(Cc3cccc4ccccc43)o2)cc1-c1nnn[n-]1 ZINC000826522742 609266112 /nfs/dbraw/zinc/26/61/12/609266112.db2.gz MORJLAFBYSYIHD-UHFFFAOYSA-N -1 3 389.444 3.667 20 0 GHADHM c1sc(CNc2nnc(Cc3cccc4ccccc43)o2)cc1-c1nn[n-]n1 ZINC000826522742 609266113 /nfs/dbraw/zinc/26/61/13/609266113.db2.gz MORJLAFBYSYIHD-UHFFFAOYSA-N -1 3 389.444 3.667 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824991843 609276227 /nfs/dbraw/zinc/27/62/27/609276227.db2.gz HOHQUWSFGVKUBP-XHSDSOJGSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824991843 609276228 /nfs/dbraw/zinc/27/62/28/609276228.db2.gz HOHQUWSFGVKUBP-XHSDSOJGSA-N -1 3 378.480 3.653 20 0 GHADHM COCc1c(Br)cccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826164140 609276937 /nfs/dbraw/zinc/27/69/37/609276937.db2.gz CPXWBNLWGGFWJR-NSHDSACASA-N -1 3 388.269 3.949 20 0 GHADHM COCc1c(Br)cccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826164140 609276939 /nfs/dbraw/zinc/27/69/39/609276939.db2.gz CPXWBNLWGGFWJR-NSHDSACASA-N -1 3 388.269 3.949 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000826473309 609290739 /nfs/dbraw/zinc/29/07/39/609290739.db2.gz SJXPUFKPDUJDRH-INIZCTEOSA-N -1 3 381.867 3.758 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000826473309 609290740 /nfs/dbraw/zinc/29/07/40/609290740.db2.gz SJXPUFKPDUJDRH-INIZCTEOSA-N -1 3 381.867 3.758 20 0 GHADHM CC(=O)c1ccc(C)cc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824024493 609307025 /nfs/dbraw/zinc/30/70/25/609307025.db2.gz GWXWFHBWYBARKT-UHFFFAOYSA-N -1 3 387.237 3.719 20 0 GHADHM CC(=O)c1ccc(C)cc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824024493 609307026 /nfs/dbraw/zinc/30/70/26/609307026.db2.gz GWXWFHBWYBARKT-UHFFFAOYSA-N -1 3 387.237 3.719 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826453756 609311831 /nfs/dbraw/zinc/31/18/31/609311831.db2.gz YFHDEUCAIYDLJB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826453756 609311833 /nfs/dbraw/zinc/31/18/33/609311833.db2.gz YFHDEUCAIYDLJB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@@H](NCc1ccnc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824624631 609326238 /nfs/dbraw/zinc/32/62/38/609326238.db2.gz ASOGJEXPLRPXQU-CYBMUJFWSA-N -1 3 382.443 3.573 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)nn1-c1ccc(Cl)cc1 ZINC000826242319 609331026 /nfs/dbraw/zinc/33/10/26/609331026.db2.gz KCAGYFYQOXSNFA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)nn1-c1ccc(Cl)cc1 ZINC000826242319 609331028 /nfs/dbraw/zinc/33/10/28/609331028.db2.gz KCAGYFYQOXSNFA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@@H](NCc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613624 609334907 /nfs/dbraw/zinc/33/49/07/609334907.db2.gz WBHMKEDNKFSJOU-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613624 609334909 /nfs/dbraw/zinc/33/49/09/609334909.db2.gz WBHMKEDNKFSJOU-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826291873 609337246 /nfs/dbraw/zinc/33/72/46/609337246.db2.gz ZHQUJPOJMXXTOR-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826291873 609337248 /nfs/dbraw/zinc/33/72/48/609337248.db2.gz ZHQUJPOJMXXTOR-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cn1cc(CNc2ccc(-c3ncco3)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361926 609343260 /nfs/dbraw/zinc/34/32/60/609343260.db2.gz WHTYBKHWBGEYMD-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM Cn1cc(CNc2ccc(-c3ncco3)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361926 609343262 /nfs/dbraw/zinc/34/32/62/609343262.db2.gz WHTYBKHWBGEYMD-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM CC1(C)CC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000824795663 609377619 /nfs/dbraw/zinc/37/76/19/609377619.db2.gz BJUFRVHQDAYPBX-AWEZNQCLSA-N -1 3 381.402 3.584 20 0 GHADHM CC1(C)CC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000824795663 609377621 /nfs/dbraw/zinc/37/76/21/609377621.db2.gz BJUFRVHQDAYPBX-AWEZNQCLSA-N -1 3 381.402 3.584 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000824917881 609403212 /nfs/dbraw/zinc/40/32/12/609403212.db2.gz OOOVJJBWTRUUHF-VBKZILBWSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000824917881 609403215 /nfs/dbraw/zinc/40/32/15/609403215.db2.gz OOOVJJBWTRUUHF-VBKZILBWSA-N -1 3 384.484 3.698 20 0 GHADHM O=C(Nc1cc(C2CC2)[nH]n1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826451873 609405772 /nfs/dbraw/zinc/40/57/72/609405772.db2.gz ZZWVYAFVQSDZNU-UHFFFAOYSA-N -1 3 387.403 3.512 20 0 GHADHM O=C(Nc1cc(C2CC2)[nH]n1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826451873 609405774 /nfs/dbraw/zinc/40/57/74/609405774.db2.gz ZZWVYAFVQSDZNU-UHFFFAOYSA-N -1 3 387.403 3.512 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccs1 ZINC000824753447 609421149 /nfs/dbraw/zinc/42/11/49/609421149.db2.gz DCRKSPWANOOQEP-LRDDRELGSA-N -1 3 385.518 3.918 20 0 GHADHM C[C@H](S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccs1 ZINC000824753447 609421150 /nfs/dbraw/zinc/42/11/50/609421150.db2.gz DCRKSPWANOOQEP-LRDDRELGSA-N -1 3 385.518 3.918 20 0 GHADHM Fc1ccc(F)c(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826375105 609444782 /nfs/dbraw/zinc/44/47/82/609444782.db2.gz ZTXCFQXFHINEEM-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM CC(C)(C)c1nc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000824142023 609449838 /nfs/dbraw/zinc/44/98/38/609449838.db2.gz RCPWXSXJDUQJPE-UHFFFAOYSA-N -1 3 384.387 3.858 20 0 GHADHM CC(C)(C)c1nc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000824142023 609449840 /nfs/dbraw/zinc/44/98/40/609449840.db2.gz RCPWXSXJDUQJPE-UHFFFAOYSA-N -1 3 384.387 3.858 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000824207698 609452393 /nfs/dbraw/zinc/45/23/93/609452393.db2.gz ZMUDZUOFKNMISD-AWEZNQCLSA-N -1 3 399.442 3.625 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000824207698 609452396 /nfs/dbraw/zinc/45/23/96/609452396.db2.gz ZMUDZUOFKNMISD-AWEZNQCLSA-N -1 3 399.442 3.625 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457398 609459813 /nfs/dbraw/zinc/45/98/13/609459813.db2.gz ZPVBTYAXEGFNNR-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457398 609459814 /nfs/dbraw/zinc/45/98/14/609459814.db2.gz ZPVBTYAXEGFNNR-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM Brc1ccc(COc2ccccc2-c2nnn[n-]2)c2ncccc12 ZINC000823827304 609480271 /nfs/dbraw/zinc/48/02/71/609480271.db2.gz YZADXCPOXQIIBL-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1ccc(COc2ccccc2-c2nn[n-]n2)c2ncccc12 ZINC000823827304 609480273 /nfs/dbraw/zinc/48/02/73/609480273.db2.gz YZADXCPOXQIIBL-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM CC(C)n1cc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000824371744 609482822 /nfs/dbraw/zinc/48/28/22/609482822.db2.gz QNPJJIXIOPYSEB-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM CC(C)n1cc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000824371744 609482825 /nfs/dbraw/zinc/48/28/25/609482825.db2.gz QNPJJIXIOPYSEB-UHFFFAOYSA-N -1 3 389.463 3.835 20 0 GHADHM Cc1c(NCc2csc(-c3ccc4c(c3)OCO4)n2)cccc1-c1nnn[n-]1 ZINC000826243162 609486588 /nfs/dbraw/zinc/48/65/88/609486588.db2.gz XDEMONLTGVMVLD-UHFFFAOYSA-N -1 3 392.444 3.639 20 0 GHADHM Cc1c(NCc2csc(-c3ccc4c(c3)OCO4)n2)cccc1-c1nn[n-]n1 ZINC000826243162 609486589 /nfs/dbraw/zinc/48/65/89/609486589.db2.gz XDEMONLTGVMVLD-UHFFFAOYSA-N -1 3 392.444 3.639 20 0 GHADHM CCCOc1cccc(CNc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)c1 ZINC000825341416 609489997 /nfs/dbraw/zinc/48/99/97/609489997.db2.gz CQQUOOURNRUBNK-UHFFFAOYSA-N -1 3 396.451 3.836 20 0 GHADHM CCCOc1cccc(CNc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)c1 ZINC000825341416 609489998 /nfs/dbraw/zinc/48/99/98/609489998.db2.gz CQQUOOURNRUBNK-UHFFFAOYSA-N -1 3 396.451 3.836 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000824148381 609491838 /nfs/dbraw/zinc/49/18/38/609491838.db2.gz SKPCFSKASUCVHQ-UHFFFAOYSA-N -1 3 376.420 3.936 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000824148381 609491839 /nfs/dbraw/zinc/49/18/39/609491839.db2.gz SKPCFSKASUCVHQ-UHFFFAOYSA-N -1 3 376.420 3.936 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccc(F)cn1 ZINC000826272161 609494971 /nfs/dbraw/zinc/49/49/71/609494971.db2.gz WQVUMPWXEUAXOX-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1sc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c(-c2nnn[n-]2)c1C ZINC000826349404 609509094 /nfs/dbraw/zinc/50/90/94/609509094.db2.gz HAJVEOCECNOOLZ-OAHLLOKOSA-N -1 3 383.477 3.691 20 0 GHADHM Cc1sc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c(-c2nn[n-]n2)c1C ZINC000826349404 609509095 /nfs/dbraw/zinc/50/90/95/609509095.db2.gz HAJVEOCECNOOLZ-OAHLLOKOSA-N -1 3 383.477 3.691 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)cn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824520907 609511206 /nfs/dbraw/zinc/51/12/06/609511206.db2.gz FUHGWBXPKPYLIZ-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)cn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824520907 609511208 /nfs/dbraw/zinc/51/12/08/609511208.db2.gz FUHGWBXPKPYLIZ-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000825833258 609536193 /nfs/dbraw/zinc/53/61/93/609536193.db2.gz DNAVWIBDPZVMSZ-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000825833258 609536196 /nfs/dbraw/zinc/53/61/96/609536196.db2.gz DNAVWIBDPZVMSZ-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM Cc1ccnc(NCCCCc2nc(-c3cccnc3)cs2)c1-c1nnn[n-]1 ZINC000826313361 609548172 /nfs/dbraw/zinc/54/81/72/609548172.db2.gz CYMJDZSWLNLPBL-UHFFFAOYSA-N -1 3 392.492 3.523 20 0 GHADHM Cc1ccnc(NCCCCc2nc(-c3cccnc3)cs2)c1-c1nn[n-]n1 ZINC000826313361 609548174 /nfs/dbraw/zinc/54/81/74/609548174.db2.gz CYMJDZSWLNLPBL-UHFFFAOYSA-N -1 3 392.492 3.523 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)c2cccnc2)c1-c1nnn[n-]1 ZINC000826239043 609548750 /nfs/dbraw/zinc/54/87/50/609548750.db2.gz WQVWNLJOUYTFRN-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)c2cccnc2)c1-c1nn[n-]n1 ZINC000826239043 609548753 /nfs/dbraw/zinc/54/87/53/609548753.db2.gz WQVWNLJOUYTFRN-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826239336 609556967 /nfs/dbraw/zinc/55/69/67/609556967.db2.gz DQESRXWRBOUDFG-LBPRGKRZSA-N -1 3 399.669 3.676 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826239336 609556969 /nfs/dbraw/zinc/55/69/69/609556969.db2.gz DQESRXWRBOUDFG-LBPRGKRZSA-N -1 3 399.669 3.676 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826238523 609566467 /nfs/dbraw/zinc/56/64/67/609566467.db2.gz IPICFUHGJMMVBX-RTHLEPHNSA-N -1 3 397.241 3.550 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826238523 609566468 /nfs/dbraw/zinc/56/64/68/609566468.db2.gz IPICFUHGJMMVBX-RTHLEPHNSA-N -1 3 397.241 3.550 20 0 GHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824907955 609576563 /nfs/dbraw/zinc/57/65/63/609576563.db2.gz LKQZZRCNRZEFRK-WPRPVWTQSA-N -1 3 390.207 3.796 20 0 GHADHM Cc1cn(C2CCCCC2)nc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826317239 609595738 /nfs/dbraw/zinc/59/57/38/609595738.db2.gz UJDXLKPBMSORPN-UHFFFAOYSA-N -1 3 397.508 3.608 20 0 GHADHM Cc1cn(C2CCCCC2)nc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826317239 609595741 /nfs/dbraw/zinc/59/57/41/609595741.db2.gz UJDXLKPBMSORPN-UHFFFAOYSA-N -1 3 397.508 3.608 20 0 GHADHM CCN(CCC(F)(F)F)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000683478303 837389686 /nfs/dbraw/zinc/38/96/86/837389686.db2.gz PIUFWBCUPUDFID-UHFFFAOYSA-N -1 3 391.187 3.705 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CCC[N-]C(=O)C(F)(F)F ZINC000180714170 837492428 /nfs/dbraw/zinc/49/24/28/837492428.db2.gz WECKRXQNONPLQI-CYBMUJFWSA-N -1 3 394.869 3.706 20 0 GHADHM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1OC(C)C ZINC000173378994 837697950 /nfs/dbraw/zinc/69/79/50/837697950.db2.gz NCBCRBKJAOGNGV-SFHVURJKSA-N -1 3 382.460 3.731 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(Cl)c(OC)c1 ZINC000414399723 837762490 /nfs/dbraw/zinc/76/24/90/837762490.db2.gz VVRWCPSCLSOOFD-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM CC(C)(C)c1cccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000654785483 834546746 /nfs/dbraw/zinc/54/67/46/834546746.db2.gz SGGCNUDWLPYPFB-UHFFFAOYSA-N -1 3 380.488 3.724 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](c3ccc(C)cc3)C(C)C)no2)c(C)o1 ZINC000584436428 834613510 /nfs/dbraw/zinc/61/35/10/834613510.db2.gz GQFZDJFJTOSMNA-KRWDZBQOSA-N -1 3 389.477 3.642 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cnc(-c2ccccc2)s1 ZINC000092505161 834673072 /nfs/dbraw/zinc/67/30/72/834673072.db2.gz UHEAWEPAJUWNPA-UHFFFAOYSA-N -1 3 391.456 3.515 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1ccccc1Br ZINC000654881291 834728773 /nfs/dbraw/zinc/72/87/73/834728773.db2.gz LKDGUHZSBZBJKV-HNNXBMFYSA-N -1 3 388.265 3.799 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccc(C)cc3)no2)[n-]c1-c1ccccc1 ZINC000547646670 834849588 /nfs/dbraw/zinc/84/95/88/834849588.db2.gz HPHSMBBSEQAXGK-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccc(C)cc3)no2)nc1-c1ccccc1 ZINC000547646670 834849598 /nfs/dbraw/zinc/84/95/98/834849598.db2.gz HPHSMBBSEQAXGK-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc(OC)c1[O-] ZINC000163486112 834883488 /nfs/dbraw/zinc/88/34/88/834883488.db2.gz ILQSDJYVNAJYOD-CYBMUJFWSA-N -1 3 383.448 3.831 20 0 GHADHM CC[C@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000683174010 834917349 /nfs/dbraw/zinc/91/73/49/834917349.db2.gz PDXIXOQXTAZZLU-RBZFPXEDSA-N -1 3 391.439 3.936 20 0 GHADHM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1[O-] ZINC000153581969 834920958 /nfs/dbraw/zinc/92/09/58/834920958.db2.gz RSXGAVLBBIMGGP-UHFFFAOYSA-N -1 3 376.884 3.707 20 0 GHADHM CC[C@H]1CCc2c(sc3[n-]c(CS(=O)(=O)c4ccccc4)nc(=O)c23)C1 ZINC000685189903 834940384 /nfs/dbraw/zinc/94/03/84/834940384.db2.gz WHKVKNSERYBPRN-LBPRGKRZSA-N -1 3 388.514 3.886 20 0 GHADHM O=C(CCC1CCCCC1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000583781765 835028516 /nfs/dbraw/zinc/02/85/16/835028516.db2.gz AMHFBIQXOFJCNP-UHFFFAOYSA-N -1 3 378.900 3.691 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccc(Br)cc21 ZINC000655071606 835078284 /nfs/dbraw/zinc/07/82/84/835078284.db2.gz VBHOBVAKRDTFMQ-UHFFFAOYSA-N -1 3 388.265 3.760 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000280160851 835177519 /nfs/dbraw/zinc/17/75/19/835177519.db2.gz BXMBNOBQVFADMO-APWZRJJASA-N -1 3 383.469 3.572 20 0 GHADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 ZINC000536156139 835214899 /nfs/dbraw/zinc/21/48/99/835214899.db2.gz VCLRXBSAXATLGC-NVXWUHKLSA-N -1 3 385.316 3.717 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccc(F)c(Br)c1 ZINC000431616273 835238043 /nfs/dbraw/zinc/23/80/43/835238043.db2.gz FDQILPMKBYXEHK-CYBMUJFWSA-N -1 3 394.212 3.873 20 0 GHADHM O=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1cc([O-])ccc1Cl ZINC000685632976 835240414 /nfs/dbraw/zinc/24/04/14/835240414.db2.gz RJYZBOSUAOGIDV-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c(C)c1)c1cccc(C)c1C ZINC001211603280 835273148 /nfs/dbraw/zinc/27/31/48/835273148.db2.gz VXLCYPLFBFROAH-IBGZPJMESA-N -1 3 393.480 3.642 20 0 GHADHM CC[C@H]1c2ccccc2CN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000890609522 835416569 /nfs/dbraw/zinc/41/65/69/835416569.db2.gz DMAUJONWIUZHRO-FQEVSTJZSA-N -1 3 388.471 3.566 20 0 GHADHM CCc1csc(CC2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)n1 ZINC000655262103 835444925 /nfs/dbraw/zinc/44/49/25/835444925.db2.gz RPDNDTWCDFHQAR-UHFFFAOYSA-N -1 3 390.505 3.523 20 0 GHADHM COc1ccc(OCCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151515601 835480830 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CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Br)ccc1NC(C)=O ZINC000650173179 835900166 /nfs/dbraw/zinc/90/01/66/835900166.db2.gz YYDJATRGVWYPND-LBPRGKRZSA-N -1 3 377.304 3.728 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(Cl)s2)n1 ZINC000513022118 844108467 /nfs/dbraw/zinc/10/84/67/844108467.db2.gz PHPUUQIWOAVOFA-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc(Cl)s2)n1 ZINC000513022118 844108473 /nfs/dbraw/zinc/10/84/73/844108473.db2.gz PHPUUQIWOAVOFA-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893188 844144224 /nfs/dbraw/zinc/14/42/24/844144224.db2.gz JHPXXBDCTBWZEI-NSHDSACASA-N -1 3 387.851 3.682 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000613412502 836336846 /nfs/dbraw/zinc/33/68/46/836336846.db2.gz SVUTWTUSAJEHDT-LLVKDONJSA-N -1 3 385.411 3.807 20 0 GHADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000570114694 836407143 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COc1cccc2sc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)nc21 ZINC000155117996 836909150 /nfs/dbraw/zinc/90/91/50/836909150.db2.gz YGJOPHQKXWFOBJ-UHFFFAOYSA-N -1 3 383.404 3.846 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000175631570 836911447 /nfs/dbraw/zinc/91/14/47/836911447.db2.gz VQLUWPGDSOANOJ-ZETCQYMHSA-N -1 3 397.266 3.532 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000548985329 837218675 /nfs/dbraw/zinc/21/86/75/837218675.db2.gz QXPICQMVIQYUSL-GHMZBOCLSA-N -1 3 396.372 3.691 20 0 GHADHM CCOc1ccc(-c2nc(CC)c(C(=O)NCc3cnc(C)[n-]c3=O)s2)cc1 ZINC000472502468 837226667 /nfs/dbraw/zinc/22/66/67/837226667.db2.gz PXOBVFTXDNEONJ-UHFFFAOYSA-N -1 3 398.488 3.505 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(-c2ccccc2)no1 ZINC000120995303 837240764 /nfs/dbraw/zinc/24/07/64/837240764.db2.gz FQVCRPIEFZXVJB-NSHDSACASA-N -1 3 395.843 3.611 20 0 GHADHM Cc1csc(-c2ccc(S(=O)(=O)[N-][C@@H](C3CC3)C(F)(F)F)cc2)n1 ZINC000655593149 837274075 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GHADHM CCC(CC)(C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000653306238 838398272 /nfs/dbraw/zinc/39/82/72/838398272.db2.gz GZTBSCKGGVXLON-UHFFFAOYSA-N -1 3 386.536 3.925 20 0 GHADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1noc2c1CCc1ccccc1-2 ZINC001125842925 838399477 /nfs/dbraw/zinc/39/94/77/838399477.db2.gz ZTXINWPRVGELRL-UHFFFAOYSA-N -1 3 393.468 3.660 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)CC(C)(C)C)c2)cc1 ZINC000115240644 838660753 /nfs/dbraw/zinc/66/07/53/838660753.db2.gz FYBYYEPYJPRYGZ-UHFFFAOYSA-N -1 3 390.505 3.548 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccccc2N1 ZINC000431858709 838663832 /nfs/dbraw/zinc/66/38/32/838663832.db2.gz LDJFPUFXPGEIHU-KRWDZBQOSA-N -1 3 383.398 3.903 20 0 GHADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000659798497 838681313 /nfs/dbraw/zinc/68/13/13/838681313.db2.gz FWULSSQLXREXLF-PZPSRYQVSA-N -1 3 389.883 3.927 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC(C)(C)C)cc2)cc1 ZINC000181123381 838722822 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3.878 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046115232 838919808 /nfs/dbraw/zinc/91/98/08/838919808.db2.gz IURCLGWYXCHWJJ-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)c1 ZINC000183288118 838921726 /nfs/dbraw/zinc/92/17/26/838921726.db2.gz WFCIGFLVHBGCQA-CQSZACIVSA-N -1 3 395.484 3.829 20 0 GHADHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000377082341 838971106 /nfs/dbraw/zinc/97/11/06/838971106.db2.gz NAYAHVQUEBTALL-ORYQWCPZSA-N -1 3 376.456 3.609 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cccc2n[n-]nc21 ZINC000188878737 838981627 /nfs/dbraw/zinc/98/16/27/838981627.db2.gz CENMERMNGWCYSH-CYBMUJFWSA-N -1 3 386.839 3.812 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c([O-])c1O ZINC000182148371 838988792 /nfs/dbraw/zinc/98/87/92/838988792.db2.gz UZJZFSGGISABLU-UHFFFAOYSA-N -1 3 376.840 3.698 20 0 GHADHM CCCC(C)(C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183640463 839020993 /nfs/dbraw/zinc/02/09/93/839020993.db2.gz ZTRSZQIMBJUGCL-UHFFFAOYSA-N -1 3 375.494 3.647 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000419371940 844400666 /nfs/dbraw/zinc/40/06/66/844400666.db2.gz LSKUIWIHGGXKFD-LFSVMHDDSA-N -1 3 377.510 3.507 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000580323543 839274193 /nfs/dbraw/zinc/27/41/93/839274193.db2.gz LDEPUMCGHAZPEY-CYBMUJFWSA-N -1 3 389.304 3.696 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2n1C1CC1)c1cccc(Cl)c1F ZINC000545366575 839320490 /nfs/dbraw/zinc/32/04/90/839320490.db2.gz ZGAKPMAWKXUVOB-UHFFFAOYSA-N -1 3 379.844 3.642 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C)cc1Cl ZINC000416520840 839357332 /nfs/dbraw/zinc/35/73/32/839357332.db2.gz XZPNKFYEVHJUFQ-HWPZZCPQSA-N -1 3 376.881 3.685 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C1CCC1 ZINC000416555022 839409276 /nfs/dbraw/zinc/40/92/76/839409276.db2.gz GXUJKWGDDLQJAJ-AWEZNQCLSA-N -1 3 376.881 3.685 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000024044249 839508310 /nfs/dbraw/zinc/50/83/10/839508310.db2.gz CXVNGGHCFXTAKI-VIFPVBQESA-N -1 3 387.650 3.875 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1c(Cl)cccc1Br ZINC000314077216 839510862 /nfs/dbraw/zinc/51/08/62/839510862.db2.gz VOLUZWAVMYWYPB-RISCZKNCSA-N -1 3 386.698 3.937 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)ccc1F ZINC000471580605 839613347 /nfs/dbraw/zinc/61/33/47/839613347.db2.gz IYAFTCUWQLKMQF-UHFFFAOYSA-N -1 3 397.431 3.974 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](CO)CC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000416780750 840150487 /nfs/dbraw/zinc/15/04/87/840150487.db2.gz RYYAVBQGHNSLQJ-SFHVURJKSA-N -1 3 384.480 3.610 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccccc3Cl)c2)[n-]1 ZINC000432896172 844510574 /nfs/dbraw/zinc/51/05/74/844510574.db2.gz DEVJYMFHEPTLSZ-UHFFFAOYSA-N -1 3 399.838 3.624 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccccc3Cl)c2)n[n-]1 ZINC000432896172 844510582 /nfs/dbraw/zinc/51/05/82/844510582.db2.gz DEVJYMFHEPTLSZ-UHFFFAOYSA-N -1 3 399.838 3.624 20 0 GHADHM CCOc1ccc(CC(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000500344894 840203908 /nfs/dbraw/zinc/20/39/08/840203908.db2.gz ODKGEYNILPFIMR-UHFFFAOYSA-N -1 3 377.444 3.992 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)n3nc(C)cc3C)c2)n1 ZINC000500366038 840269442 /nfs/dbraw/zinc/26/94/42/840269442.db2.gz ICKSHQLSKYUEGR-OAHLLOKOSA-N -1 3 379.464 3.815 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000055652189 840287305 /nfs/dbraw/zinc/28/73/05/840287305.db2.gz VRBVDXNFOIKCNF-UHFFFAOYSA-N -1 3 388.489 3.858 20 0 GHADHM C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[n-]1)c1ccc(F)cc1[O-] ZINC000186101034 840339308 /nfs/dbraw/zinc/33/93/08/840339308.db2.gz GSMQIMKQPJGQAF-SNVBAGLBSA-N -1 3 391.244 3.930 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000052509661 844536918 /nfs/dbraw/zinc/53/69/18/844536918.db2.gz PUTSDRHXDZEAKF-OXQOHEQNSA-N -1 3 396.487 3.661 20 0 GHADHM COc1cccc(CCC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000500417659 840433251 /nfs/dbraw/zinc/43/32/51/840433251.db2.gz VCCMVRCDXUSRRA-UHFFFAOYSA-N -1 3 388.514 3.730 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1 ZINC000511696582 840511388 /nfs/dbraw/zinc/51/13/88/840511388.db2.gz CKMJPYDSORHKRH-AWEZNQCLSA-N -1 3 379.478 3.990 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000660163831 840529509 /nfs/dbraw/zinc/52/95/09/840529509.db2.gz WPSFKQYPFNCNIW-YGRLFVJLSA-N -1 3 393.814 3.759 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)c(=O)[n-]1 ZINC000511757892 840647764 /nfs/dbraw/zinc/64/77/64/840647764.db2.gz RCOPBMLWJJPBFE-SFHVURJKSA-N -1 3 389.377 3.915 20 0 GHADHM COc1cc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)ccc1[O-] ZINC000022346642 840695409 /nfs/dbraw/zinc/69/54/09/840695409.db2.gz JRTWQLLHVVTKGL-BQYQJAHWSA-N -1 3 390.439 3.682 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000312891726 840829298 /nfs/dbraw/zinc/82/92/98/840829298.db2.gz AXLGHOAFFOCOQV-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1ccc(CCC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610485747 840861339 /nfs/dbraw/zinc/86/13/39/840861339.db2.gz CPSNMIPBNCKSEY-UHFFFAOYSA-N -1 3 397.212 3.577 20 0 GHADHM COc1ccc(OCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000511821757 840864549 /nfs/dbraw/zinc/86/45/49/840864549.db2.gz FKULVNITWZTFJE-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc2cc[nH]c2c1 ZINC000610491191 840963987 /nfs/dbraw/zinc/96/39/87/840963987.db2.gz XIMXALOXWDOEKP-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188218605 840983567 /nfs/dbraw/zinc/98/35/67/840983567.db2.gz FNUJLDHXYOMVKJ-ZROIWOOFSA-N -1 3 383.835 3.729 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC34CCC(CC3)CC4)cs2)c1 ZINC000584823550 840999311 /nfs/dbraw/zinc/99/93/11/840999311.db2.gz YXUZANBHPXJSRR-UHFFFAOYSA-N -1 3 399.516 3.791 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001143507383 841020010 /nfs/dbraw/zinc/02/00/10/841020010.db2.gz OIUCFULQIJTHGP-INIZCTEOSA-N -1 3 380.213 3.508 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c(F)ccc(SCC2CC2)c1F ZINC000581291871 841027364 /nfs/dbraw/zinc/02/73/64/841027364.db2.gz MBYTXUHKAVJJHX-ZDUSSCGKSA-N -1 3 379.432 3.716 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000417592044 841039816 /nfs/dbraw/zinc/03/98/16/841039816.db2.gz YMMAMMINWBUMDQ-LJQANCHMSA-N -1 3 385.460 3.956 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000417592926 841040412 /nfs/dbraw/zinc/04/04/12/841040412.db2.gz YPXWVSAYDWURIY-RNCFNFMXSA-N -1 3 378.694 3.849 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cl)c1 ZINC000591367032 841056342 /nfs/dbraw/zinc/05/63/42/841056342.db2.gz XNZVLTZBIUBLDA-UHFFFAOYSA-N -1 3 392.786 3.983 20 0 GHADHM COc1ccc(CN[C@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cc1O ZINC000417642382 841094561 /nfs/dbraw/zinc/09/45/61/841094561.db2.gz VGBGDEIBUJAMKW-DIFFPNOSSA-N -1 3 394.265 3.715 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000417666458 841115191 /nfs/dbraw/zinc/11/51/91/841115191.db2.gz GCMBVAKNKCKYNZ-RDTXWAMCSA-N -1 3 390.505 3.854 20 0 GHADHM CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000026978007 841130070 /nfs/dbraw/zinc/13/00/70/841130070.db2.gz PHJZEMADPWUVBP-NSHDSACASA-N -1 3 384.860 3.808 20 0 GHADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000545509356 841138565 /nfs/dbraw/zinc/13/85/65/841138565.db2.gz SUVRCDJGDMVSIM-SECBINFHSA-N -1 3 391.187 3.751 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Br)c3cccnc23)n1 ZINC000660750281 841161809 /nfs/dbraw/zinc/16/18/09/841161809.db2.gz AMJBFUFSOCZKPJ-UHFFFAOYSA-N -1 3 387.281 3.826 20 0 GHADHM C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156171685 841164872 /nfs/dbraw/zinc/16/48/72/841164872.db2.gz IEEQKAGGAPWNNI-SNVBAGLBSA-N -1 3 379.258 3.644 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000068834365 841166976 /nfs/dbraw/zinc/16/69/76/841166976.db2.gz YSFMALCKHRXVGA-LPHOPBHVSA-N -1 3 382.508 3.548 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1Br ZINC000313186368 841199175 /nfs/dbraw/zinc/19/91/75/841199175.db2.gz WKDAZYQOULKQQR-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1F ZINC000473082145 841273828 /nfs/dbraw/zinc/27/38/28/841273828.db2.gz UXBAMVKLOXLCHP-GFCCVEGCSA-N -1 3 392.390 3.517 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000473082703 841281350 /nfs/dbraw/zinc/28/13/50/841281350.db2.gz XQDQNWBUFGEXEY-WBVHZDCISA-N -1 3 399.397 3.536 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)c2)n1 ZINC000049303704 841501944 /nfs/dbraw/zinc/50/19/44/841501944.db2.gz AAAWVXMIVKINPT-OALUTQOASA-N -1 3 377.419 3.881 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)c2)n1 ZINC000049302409 841504263 /nfs/dbraw/zinc/50/42/63/841504263.db2.gz DHVLZPVSODWMFH-UHFFFAOYSA-N -1 3 385.427 3.642 20 0 GHADHM CC[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000184088728 841529174 /nfs/dbraw/zinc/52/91/74/841529174.db2.gz JXTYFIKTONRQPJ-PMACEKPBSA-N -1 3 398.528 3.607 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCc2cscn2)c1)C1CCCC1 ZINC000656620459 841578745 /nfs/dbraw/zinc/57/87/45/841578745.db2.gz DKBVDCVRUWCMGR-GOSISDBHSA-N -1 3 396.534 3.669 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000651794201 841587071 /nfs/dbraw/zinc/58/70/71/841587071.db2.gz JCOWNOLOCPOTOB-QFYYESIMSA-N -1 3 392.279 3.674 20 0 GHADHM N#CC(=Cc1ccc([O-])cc1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000185704582 861219578 /nfs/dbraw/zinc/21/95/78/861219578.db2.gz LULQOMREZOCKAT-BOFQVRIASA-N -1 3 378.403 3.560 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)c(=O)[n-]1 ZINC000564639996 841765939 /nfs/dbraw/zinc/76/59/39/841765939.db2.gz SLDTYRBWBZQTMY-HNNXBMFYSA-N -1 3 381.263 3.748 20 0 GHADHM O=C(Nc1ccc(F)c(Br)c1F)c1nnc2ccccc2c1[O-] ZINC001167756486 841853617 /nfs/dbraw/zinc/85/36/17/841853617.db2.gz BYIFFNWUTPQUJL-UHFFFAOYSA-N -1 3 380.148 3.628 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000157342243 841867870 /nfs/dbraw/zinc/86/78/70/841867870.db2.gz QDZVZINAIHGRDZ-HNNXBMFYSA-N -1 3 389.320 3.656 20 0 GHADHM O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008380386 842054997 /nfs/dbraw/zinc/05/49/97/842054997.db2.gz MNMLJPARILYDOP-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000066935729 842173962 /nfs/dbraw/zinc/17/39/62/842173962.db2.gz DZQRACVPNNVCOF-UHFFFAOYSA-N -1 3 396.727 3.959 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653327980 842246971 /nfs/dbraw/zinc/24/69/71/842246971.db2.gz BWUGVHJQCIFOBG-WMZOPIPTSA-N -1 3 378.428 3.537 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000626234275 842247347 /nfs/dbraw/zinc/24/73/47/842247347.db2.gz RSBAUXCKZRWGHM-OAHLLOKOSA-N -1 3 385.464 3.567 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000730810617 861297614 /nfs/dbraw/zinc/29/76/14/861297614.db2.gz CWMUUSCUKRFCHS-QWRGUYRKSA-N -1 3 394.306 3.701 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000006210787 842365348 /nfs/dbraw/zinc/36/53/48/842365348.db2.gz YAJVGGZECJIWKZ-XFFZJAGNSA-N -1 3 378.812 3.956 20 0 GHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1cc(Cl)ccc1Cl ZINC000432290212 842541648 /nfs/dbraw/zinc/54/16/48/842541648.db2.gz AXZXPHKIBMZHBP-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM C[C@@H]1CC2(CN1[C@H](C(=O)[O-])c1ccc(Br)cc1F)CCOCC2 ZINC000652449954 842571333 /nfs/dbraw/zinc/57/13/33/842571333.db2.gz XIBSWVDRAMETHG-ABAIWWIYSA-N -1 3 386.261 3.605 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)Cc1ccccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510490653 842585356 /nfs/dbraw/zinc/58/53/56/842585356.db2.gz RHPVPJHFNKZMKS-IBGZPJMESA-N -1 3 395.908 3.546 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Oc3ccc(Cl)nn3)cc2)c2ccccc21 ZINC000255386093 842617669 /nfs/dbraw/zinc/61/76/69/842617669.db2.gz NOGLJMSKXCPQRX-WJDWOHSUSA-N -1 3 392.802 3.645 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000027685879 842639124 /nfs/dbraw/zinc/63/91/24/842639124.db2.gz RIJKCYNNJAKVRR-UHFFFAOYSA-N -1 3 385.876 3.583 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000050534779 842701340 /nfs/dbraw/zinc/70/13/40/842701340.db2.gz GRUWLKLHKLCUDA-UHFFFAOYSA-N -1 3 390.530 3.552 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2nccc(C)c2Br)cc1C ZINC000581955207 842811606 /nfs/dbraw/zinc/81/16/06/842811606.db2.gz XJJQOGBTNKPLCG-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(C(C)(C)C)c3C)nc(=O)c2c1C ZINC000051340544 842851948 /nfs/dbraw/zinc/85/19/48/842851948.db2.gz LDQBZCWRQPDKIU-NSHDSACASA-N -1 3 388.493 3.779 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000510520617 842893541 /nfs/dbraw/zinc/89/35/41/842893541.db2.gz YUKGPKDSVLJZIH-AWEZNQCLSA-N -1 3 396.242 3.674 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([O-])c1 ZINC000063103689 842896253 /nfs/dbraw/zinc/89/62/53/842896253.db2.gz RDEDMZLFWUTFCA-HXUWFJFHSA-N -1 3 382.460 3.563 20 0 GHADHM CC(C)(C)c1csc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)n1 ZINC000730959652 861371455 /nfs/dbraw/zinc/37/14/55/861371455.db2.gz JWEPCIJLISHBBV-UHFFFAOYSA-N -1 3 380.463 3.751 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)cc3C)n2)cc1 ZINC000471869164 843043605 /nfs/dbraw/zinc/04/36/05/843043605.db2.gz IWJLQFPLRGRJKE-ZDUSSCGKSA-N -1 3 389.452 3.786 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000051467848 843190297 /nfs/dbraw/zinc/19/02/97/843190297.db2.gz GKWKLDJAVSNVIQ-UWJYYQICSA-N -1 3 382.460 3.591 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051467846 843190459 /nfs/dbraw/zinc/19/04/59/843190459.db2.gz GKWKLDJAVSNVIQ-LAUBAEHRSA-N -1 3 382.460 3.591 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccc(C)c(C)c3)CCC2)s1 ZINC001211707962 843273484 /nfs/dbraw/zinc/27/34/84/843273484.db2.gz MQWDUBMGHANBNZ-UHFFFAOYSA-N -1 3 393.530 3.552 20 0 GHADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(F)c(Br)c1 ZINC000730996110 861398115 /nfs/dbraw/zinc/39/81/15/861398115.db2.gz NHEWCGKJOAYNHA-GMROUXNLSA-N -1 3 389.224 3.550 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1F ZINC000471892482 843294426 /nfs/dbraw/zinc/29/44/26/843294426.db2.gz IXBVNHJOHBHHMG-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000108076246 843456318 /nfs/dbraw/zinc/45/63/18/843456318.db2.gz DFTFXFUMEKJVGY-HZPDHXFCSA-N -1 3 392.496 3.857 20 0 GHADHM O=c1nc(CSCc2ncnn2CCF)[n-]c2scc(-c3ccco3)c21 ZINC000282432198 861439081 /nfs/dbraw/zinc/43/90/81/861439081.db2.gz MXYURJMYBQOBEQ-UHFFFAOYSA-N -1 3 391.453 3.651 20 0 GHADHM CCC1(CC)CCC([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1 ZINC001211719467 843658131 /nfs/dbraw/zinc/65/81/31/843658131.db2.gz KUCNHJMZYGUJQG-UHFFFAOYSA-N -1 3 385.501 3.948 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000500592123 843707172 /nfs/dbraw/zinc/70/71/72/843707172.db2.gz NUODWGNTEWKLSH-JTQLQIEISA-N -1 3 390.249 3.809 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3c(F)cccc3F)CCCC2)c1 ZINC000500595689 843710600 /nfs/dbraw/zinc/71/06/00/843710600.db2.gz WHAPPHUBXQIOJI-UHFFFAOYSA-N -1 3 388.414 3.871 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc(OC)c1C(C)C ZINC000432771994 843763723 /nfs/dbraw/zinc/76/37/23/843763723.db2.gz OLVHECBIKZUIPC-UHFFFAOYSA-N -1 3 378.494 3.694 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)c1 ZINC000512441822 843815123 /nfs/dbraw/zinc/81/51/23/843815123.db2.gz SJTFGPNOZNTSIW-INIZCTEOSA-N -1 3 389.395 3.594 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C(=O)c3ccc(Br)cc3)[nH][n-]2)c1 ZINC000603966216 861464424 /nfs/dbraw/zinc/46/44/24/861464424.db2.gz HWXCPJVGPUZKSE-UHFFFAOYSA-N -1 3 398.260 3.699 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2c(C)cccc2C)[nH][n-]1 ZINC000512857168 843894616 /nfs/dbraw/zinc/89/46/16/843894616.db2.gz URHCCMDWOANHOJ-UHFFFAOYSA-N -1 3 385.851 3.795 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1[O-] ZINC000535828217 844695059 /nfs/dbraw/zinc/69/50/59/844695059.db2.gz LCUSVKZFCBKCRC-QGZVFWFLSA-N -1 3 377.387 3.770 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1(F)F ZINC000657156268 844703478 /nfs/dbraw/zinc/70/34/78/844703478.db2.gz NHNSZMKOFCMDPL-SNVBAGLBSA-N -1 3 379.734 3.562 20 0 GHADHM O=P([O-])([O-])C1(Nc2ccc(F)c(C[NH+]3CCCC3)c2)Cc2ccccc2C1 ZINC001167938092 844822767 /nfs/dbraw/zinc/82/27/67/844822767.db2.gz JNTWOEQDAZEYCJ-UHFFFAOYSA-N -1 3 390.395 3.506 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC001211838008 844899439 /nfs/dbraw/zinc/89/94/39/844899439.db2.gz WTNISCOLEGDLRO-UHFFFAOYSA-N -1 3 397.855 3.623 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c(F)cccc2OC)[nH][n-]1 ZINC000473467487 844972884 /nfs/dbraw/zinc/97/28/84/844972884.db2.gz GAMARZOWNVXAKQ-UHFFFAOYSA-N -1 3 375.787 3.561 20 0 GHADHM C[C@@]1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC=CCC1 ZINC000458326566 845006334 /nfs/dbraw/zinc/00/63/34/845006334.db2.gz ASMMUHBIJLYMEC-NZQKXSOJSA-N -1 3 378.472 3.868 20 0 GHADHM CCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCC1 ZINC000458332958 845038915 /nfs/dbraw/zinc/03/89/15/845038915.db2.gz GTPJMGFREVOOOD-LJQANCHMSA-N -1 3 382.508 3.548 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000481500034 861524582 /nfs/dbraw/zinc/52/45/82/861524582.db2.gz DOUQAMOWYFTNAE-UHFFFAOYSA-N -1 3 383.407 3.832 20 0 GHADHM COC(=O)c1[n-]c(=NC[C@H](c2c(F)cccc2Cl)N2CCCC2)sc1C ZINC000433603765 845075674 /nfs/dbraw/zinc/07/56/74/845075674.db2.gz KPIKCIZYVNOHKD-CQSZACIVSA-N -1 3 397.903 3.702 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509913699 845102005 /nfs/dbraw/zinc/10/20/05/845102005.db2.gz VKAQEGKLMHCDEQ-BXUZGUMPSA-N -1 3 399.862 3.968 20 0 GHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429850581 845134498 /nfs/dbraw/zinc/13/44/98/845134498.db2.gz WWCNMZNUCDOOIE-VIFPVBQESA-N -1 3 386.764 3.913 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@]3(C)CC=CCC3)cs2)c1 ZINC000458354716 845142227 /nfs/dbraw/zinc/14/22/27/845142227.db2.gz XMYSWJHLAJZQCV-HXUWFJFHSA-N -1 3 385.489 3.567 20 0 GHADHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)s1 ZINC000433641113 845149414 /nfs/dbraw/zinc/14/94/14/845149414.db2.gz XTMXXGWHEQBJHB-MRVPVSSYSA-N -1 3 386.449 3.544 20 0 GHADHM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccccc1Oc1ccccc1 ZINC000262099315 845237508 /nfs/dbraw/zinc/23/75/08/845237508.db2.gz HGNKIVVZDYLWBJ-KSFYIVLOSA-N -1 3 380.444 3.604 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1c(Cl)cccc1Cl)c1cc(F)ccc1Cl ZINC000481499144 861551952 /nfs/dbraw/zinc/55/19/52/861551952.db2.gz ZTAKSOWKMXDHOX-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)[nH]1 ZINC000431270889 845423374 /nfs/dbraw/zinc/42/33/74/845423374.db2.gz TWBAJVWMFHRRRX-UHFFFAOYSA-N -1 3 397.456 3.579 20 0 GHADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000433151296 845529791 /nfs/dbraw/zinc/52/97/91/845529791.db2.gz YTBBAEMITUSTOJ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1[O-] ZINC000411537019 845582807 /nfs/dbraw/zinc/58/28/07/845582807.db2.gz CAKWOOQWKSYAAZ-UHFFFAOYSA-N -1 3 396.443 3.619 20 0 GHADHM CC(C)n1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)n1 ZINC000657285202 845669718 /nfs/dbraw/zinc/66/97/18/845669718.db2.gz YUPUBVKEWKAGOX-UHFFFAOYSA-N -1 3 380.477 3.650 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2sc(-c3ccc(F)cc3)nc2C)s1 ZINC000119680007 845837052 /nfs/dbraw/zinc/83/70/52/845837052.db2.gz FCZVXQCJFHQGLY-UHFFFAOYSA-N -1 3 392.437 3.538 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000472098780 845843246 /nfs/dbraw/zinc/84/32/46/845843246.db2.gz WYQGXSYJNLRLBZ-HXUWFJFHSA-N -1 3 377.440 3.792 20 0 GHADHM CCCCc1nc(NC(=O)CCOc2cccc(C)c2C)c(C(=O)OCC)[n-]1 ZINC001269123986 846184170 /nfs/dbraw/zinc/18/41/70/846184170.db2.gz QDTATPYADFNXKD-UHFFFAOYSA-N -1 3 387.480 3.953 20 0 GHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000157794526 846191121 /nfs/dbraw/zinc/19/11/21/846191121.db2.gz AUTLWUHDFPSPTF-UHFFFAOYSA-N -1 3 385.445 3.635 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)ccc1F ZINC000157882849 846237157 /nfs/dbraw/zinc/23/71/57/846237157.db2.gz YIVLGSJLRCQPPP-UHFFFAOYSA-N -1 3 380.441 3.762 20 0 GHADHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000684763398 846428791 /nfs/dbraw/zinc/42/87/91/846428791.db2.gz KZQBAUMQMIEGRW-HNNXBMFYSA-N -1 3 389.279 3.598 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(OC(C)(C)C)n3)nc2)n1 ZINC000502804485 846486746 /nfs/dbraw/zinc/48/67/46/846486746.db2.gz CQHMMYNKBGTFKU-UHFFFAOYSA-N -1 3 379.464 3.991 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCOc4ccc(F)cc43)cc2)cc(=O)[n-]1 ZINC000548695624 846501391 /nfs/dbraw/zinc/50/13/91/846501391.db2.gz DJAYXUHFRKXDFF-KRWDZBQOSA-N -1 3 394.406 3.942 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000501067831 846599236 /nfs/dbraw/zinc/59/92/36/846599236.db2.gz DOGKROMKVAHPGX-LLVKDONJSA-N -1 3 393.256 3.950 20 0 GHADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Br)cc1 ZINC000501083147 846627033 /nfs/dbraw/zinc/62/70/33/846627033.db2.gz UCYQWYBQQGPJNH-UHFFFAOYSA-N -1 3 378.270 3.547 20 0 GHADHM CCc1nc(C)c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000051512012 846632886 /nfs/dbraw/zinc/63/28/86/846632886.db2.gz FCWWBUQPFWBBPF-VIFPVBQESA-N -1 3 377.491 3.847 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000419601036 846684638 /nfs/dbraw/zinc/68/46/38/846684638.db2.gz ISDDUKFNMVGLPO-UHFFFAOYSA-N -1 3 399.394 3.830 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000503144169 846831996 /nfs/dbraw/zinc/83/19/96/846831996.db2.gz GJKKJADHWATDJQ-QGZVFWFLSA-N -1 3 387.553 3.822 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)c2cc(C)cc(C)c2)cc1OC ZINC000582309484 846832793 /nfs/dbraw/zinc/83/27/93/846832793.db2.gz GHQDXLNSEVOCRC-UHFFFAOYSA-N -1 3 391.493 3.742 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600358151 861740856 /nfs/dbraw/zinc/74/08/56/861740856.db2.gz APJSVXWNHJAKOP-XHDPSFHLSA-N -1 3 398.297 3.595 20 0 GHADHM CCCn1ncc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1C1CC1 ZINC000563343499 847128730 /nfs/dbraw/zinc/12/87/30/847128730.db2.gz AZLHDRISTVFSBY-UHFFFAOYSA-N -1 3 376.420 3.954 20 0 GHADHM CCCn1ncc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1C1CC1 ZINC000563343499 847128736 /nfs/dbraw/zinc/12/87/36/847128736.db2.gz AZLHDRISTVFSBY-UHFFFAOYSA-N -1 3 376.420 3.954 20 0 GHADHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000545886288 847351824 /nfs/dbraw/zinc/35/18/24/847351824.db2.gz WHZHKVWOLNFEQV-SNVBAGLBSA-N -1 3 385.744 3.657 20 0 GHADHM CCC[C@@H]1CCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000273513435 847360319 /nfs/dbraw/zinc/36/03/19/847360319.db2.gz UOSJTVAKVCNWKR-OAHLLOKOSA-N -1 3 383.514 3.643 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC(F)F ZINC000420708769 847387171 /nfs/dbraw/zinc/38/71/71/847387171.db2.gz JWKSMFHAVLYMNB-MRVPVSSYSA-N -1 3 375.771 3.655 20 0 GHADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)s1 ZINC000582515931 847451444 /nfs/dbraw/zinc/45/14/44/847451444.db2.gz OOVMGRXGTJZFMV-UHFFFAOYSA-N -1 3 389.502 3.680 20 0 GHADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1ccc(Cl)cc1C(F)(F)F ZINC000503207585 847478752 /nfs/dbraw/zinc/47/87/52/847478752.db2.gz LEHIDUMZHAIQTD-UHFFFAOYSA-N -1 3 395.815 3.547 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCC[C@@H]3C(=O)OCc3ccccc3)cc(=O)oc12 ZINC000731667958 861799331 /nfs/dbraw/zinc/79/93/31/861799331.db2.gz XVMNNHQFDOSXSC-LJQANCHMSA-N -1 3 393.439 3.515 20 0 GHADHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000023763097 847565180 /nfs/dbraw/zinc/56/51/80/847565180.db2.gz SGPMWYIIOBKEKL-ZIAGYGMSSA-N -1 3 384.505 3.905 20 0 GHADHM Cc1c(CN[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)sc2c1cccc2Cl ZINC000414662712 847639388 /nfs/dbraw/zinc/63/93/88/847639388.db2.gz ROIFSYOTIRGULU-HOCLYGCPSA-N -1 3 394.924 3.663 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000503375745 847650470 /nfs/dbraw/zinc/65/04/70/847650470.db2.gz MJAKFLAMSBKLCW-CQSZACIVSA-N -1 3 376.453 3.920 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)C3CC(OC(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000421048587 847665339 /nfs/dbraw/zinc/66/53/39/847665339.db2.gz VPZPVDHATDPPPZ-UHFFFAOYSA-N -1 3 384.480 3.967 20 0 GHADHM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503442735 847708540 /nfs/dbraw/zinc/70/85/40/847708540.db2.gz TYAYOIOVBIQBDV-UHFFFAOYSA-N -1 3 386.390 3.747 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000277724275 847728211 /nfs/dbraw/zinc/72/82/11/847728211.db2.gz SISKJXZXXLFZMM-UHFFFAOYSA-N -1 3 398.890 3.638 20 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Cc1nc(COc2ccccc2C(=O)Nc2n[n-]c(-c3ccco3)n2)cs1 ZINC000514485662 849896183 /nfs/dbraw/zinc/89/61/83/849896183.db2.gz RHFOUXNPXXBQQD-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM CCCCOc1cccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)c1 ZINC000506602697 850070131 /nfs/dbraw/zinc/07/01/31/850070131.db2.gz RDSOEQFGSOIKBO-IBGZPJMESA-N -1 3 391.489 3.564 20 0 GHADHM Cc1onc(-c2ccccc2)c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430134108 850155723 /nfs/dbraw/zinc/15/57/23/850155723.db2.gz CDQUBDQCFPHNBP-UHFFFAOYSA-N -1 3 397.232 3.734 20 0 GHADHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435224742 850242519 /nfs/dbraw/zinc/24/25/19/850242519.db2.gz GCSQXZIJMSCTAI-NEPJUHHUSA-N -1 3 382.320 3.541 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)c2ccc(C)cc2)cc1OC ZINC000486924402 850250727 /nfs/dbraw/zinc/25/07/27/850250727.db2.gz HLVPANQFXPKIBH-UHFFFAOYSA-N -1 3 390.505 3.682 20 0 GHADHM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000908748867 850321008 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20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1cccc(Cl)c1Cl ZINC000604411970 862155271 /nfs/dbraw/zinc/15/52/71/862155271.db2.gz OPHJSWFPNOLCOY-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CCCC2)no1 ZINC000067118446 850732598 /nfs/dbraw/zinc/73/25/98/850732598.db2.gz BJLCCHFYFKNGBI-UHFFFAOYSA-N -1 3 390.292 3.574 20 0 GHADHM C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000909790206 850790114 /nfs/dbraw/zinc/79/01/14/850790114.db2.gz PZDPGARZZVDVDK-KRWDZBQOSA-N -1 3 396.487 3.627 20 0 GHADHM CN(Cc1cccs1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443913006 862181615 /nfs/dbraw/zinc/18/16/15/862181615.db2.gz IYBQHWWQCRWFNT-UHFFFAOYSA-N -1 3 377.263 3.624 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)n1 ZINC000487736424 850873274 /nfs/dbraw/zinc/87/32/74/850873274.db2.gz FZYAFHUNRTXPMM-AWEZNQCLSA-N -1 3 390.472 3.987 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc(=O)c2ccccc2[n-]1 ZINC000435966763 851039643 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GHADHM CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000910298011 851128720 /nfs/dbraw/zinc/12/87/20/851128720.db2.gz BSBJZQXQLBFUIR-OAHLLOKOSA-N -1 3 393.409 3.899 20 0 GHADHM Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000515543394 851174297 /nfs/dbraw/zinc/17/42/97/851174297.db2.gz WVVLTJHISDLFGS-XOBRGWDASA-N -1 3 381.407 3.742 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2nc(-c3ccccc3)cs2)[n-]1 ZINC000436087031 851182554 /nfs/dbraw/zinc/18/25/54/851182554.db2.gz JOXARFJIRWAYEX-AREMUKBSSA-N -1 3 399.419 3.773 20 0 GHADHM C[C@](Cc1ccc(F)cc1)(NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000910513194 851235311 /nfs/dbraw/zinc/23/53/11/851235311.db2.gz ONXGRQIGFKFWRW-HSZRJFAPSA-N -1 3 398.478 3.627 20 0 GHADHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3Cl)cc12 ZINC000436151387 851287865 /nfs/dbraw/zinc/28/78/65/851287865.db2.gz HTAHLBGHPZZDJL-UHFFFAOYSA-N -1 3 381.841 3.773 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3ccccc3)[C@@H](O)C(C)C)nc2)n1 ZINC000664532708 851329024 /nfs/dbraw/zinc/32/90/24/851329024.db2.gz USBCLDOEJIYGMA-SFTDATJTSA-N -1 3 378.476 3.977 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000515707726 851363889 /nfs/dbraw/zinc/36/38/89/851363889.db2.gz KGKLGZRCDHQAQU-PMACEKPBSA-N -1 3 375.490 3.732 20 0 GHADHM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000910773704 851394153 /nfs/dbraw/zinc/39/41/53/851394153.db2.gz MKUGXZFJAHXQHX-OAQYLSRUSA-N -1 3 396.487 3.579 20 0 GHADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000509988203 851517470 /nfs/dbraw/zinc/51/74/70/851517470.db2.gz WHNKIKTTXFPQPH-GHMZBOCLSA-N -1 3 385.835 3.842 20 0 GHADHM O=C(NCCc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052802302 851547557 /nfs/dbraw/zinc/54/75/57/851547557.db2.gz HOWXDCSSCSHCKL-NRFANRHFSA-N -1 3 388.467 3.509 20 0 GHADHM CC1CCN([C@H](CNC(=O)CC2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000911101461 851572529 /nfs/dbraw/zinc/57/25/29/851572529.db2.gz HFNRIMRXGOKMAF-DAWZGUTISA-N -1 3 392.565 3.918 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2cccc(CC(=O)[O-])c2)c2cccs2)CC1 ZINC000911104355 851573920 /nfs/dbraw/zinc/57/39/20/851573920.db2.gz UVNZVXQPUVUBOS-GOSISDBHSA-N -1 3 386.517 3.578 20 0 GHADHM Cc1cc(Cl)ccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488689358 851697159 /nfs/dbraw/zinc/69/71/59/851697159.db2.gz VRHWDXBJFWZHRK-UHFFFAOYSA-N -1 3 384.657 3.812 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1C ZINC000467403204 851736449 /nfs/dbraw/zinc/73/64/49/851736449.db2.gz JJPWZMDDROQMGD-UHFFFAOYSA-N -1 3 399.472 3.726 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000894609560 851767901 /nfs/dbraw/zinc/76/79/01/851767901.db2.gz FYGHSCLMOZNVOC-QGZVFWFLSA-N -1 3 377.282 3.543 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c2ccccc12 ZINC000436480842 851949959 /nfs/dbraw/zinc/94/99/59/851949959.db2.gz ZWIRJVLSZNCZCQ-UHFFFAOYSA-N -1 3 398.419 3.573 20 0 GHADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436484069 851979244 /nfs/dbraw/zinc/97/92/44/851979244.db2.gz DGVKIHZWGMDFCV-HNNXBMFYSA-N -1 3 397.475 3.620 20 0 GHADHM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)n1 ZINC000425943794 851989364 /nfs/dbraw/zinc/98/93/64/851989364.db2.gz SZVQCYWGNFVDEE-UHFFFAOYSA-N -1 3 384.505 3.669 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c([O-])c1C ZINC000436529710 852019918 /nfs/dbraw/zinc/01/99/18/852019918.db2.gz AMFCBZWPGSPGJK-UHFFFAOYSA-N -1 3 390.505 3.647 20 0 GHADHM COC(=O)c1occc1CN(C(=O)c1ccc(C)cc1[O-])[C@H](C)c1ccccn1 ZINC000436534677 852025521 /nfs/dbraw/zinc/02/55/21/852025521.db2.gz LOGYIWZICOYPQY-OAHLLOKOSA-N -1 3 394.427 3.879 20 0 GHADHM Cn1c(=O)oc2ccc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])cc21 ZINC000436535709 852027230 /nfs/dbraw/zinc/02/72/30/852027230.db2.gz BGSCEIMSTNMPKN-UHFFFAOYSA-N -1 3 376.368 3.882 20 0 GHADHM Cc1ncsc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436556246 852045042 /nfs/dbraw/zinc/04/50/42/852045042.db2.gz NKHIAKCGZYREQW-QGZVFWFLSA-N -1 3 381.457 3.657 20 0 GHADHM COc1ccc2c(c1)CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C2 ZINC000912058033 852045177 /nfs/dbraw/zinc/04/51/77/852045177.db2.gz OOOTWOLBDOMIJL-UHFFFAOYSA-N -1 3 375.450 3.655 20 0 GHADHM COC(=O)[C@H]1CC12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436557645 852046130 /nfs/dbraw/zinc/04/61/30/852046130.db2.gz XLASMGXVUQNSRC-HXUWFJFHSA-N -1 3 393.483 3.593 20 0 GHADHM O=C(NCc1csc2ccccc12)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436561502 852065309 /nfs/dbraw/zinc/06/53/09/852065309.db2.gz HTXLLROMIITNQX-KRWDZBQOSA-N -1 3 380.469 3.528 20 0 GHADHM CSc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC000436567883 852069755 /nfs/dbraw/zinc/06/97/55/852069755.db2.gz PNUFAPMSZOBRGV-UHFFFAOYSA-N -1 3 399.516 3.849 20 0 GHADHM O=C(NCc1nncn1-c1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436593558 852080694 /nfs/dbraw/zinc/08/06/94/852080694.db2.gz BPEHJZQGXBBZJH-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM CCc1c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cnn1C(CC)CC ZINC000436598076 852084307 /nfs/dbraw/zinc/08/43/07/852084307.db2.gz XVLJDKKFCAREJQ-UHFFFAOYSA-N -1 3 386.496 3.579 20 0 GHADHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)s1 ZINC000570376689 852105791 /nfs/dbraw/zinc/10/57/91/852105791.db2.gz XWFVDLHHVPYVIH-UHFFFAOYSA-N -1 3 381.910 3.947 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000436616290 852117931 /nfs/dbraw/zinc/11/79/31/852117931.db2.gz DNBSTZZACVTPDE-SFHVURJKSA-N -1 3 381.863 3.920 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2OC(C)C)c([O-])c1 ZINC000436635873 852129818 /nfs/dbraw/zinc/12/98/18/852129818.db2.gz SIBKTACHJWIOEU-UHFFFAOYSA-N -1 3 390.867 3.900 20 0 GHADHM COc1cc(-c2nc(-c3cc(N(C)C)nc4ccccc43)no2)cc(OC)c1[O-] ZINC000436687391 852198033 /nfs/dbraw/zinc/19/80/33/852198033.db2.gz IEPYLJMSALTJRS-UHFFFAOYSA-N -1 3 392.415 3.741 20 0 GHADHM CCCCOc1cccc(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000436688868 852199194 /nfs/dbraw/zinc/19/91/94/852199194.db2.gz CPWLLDQBADPNBW-UHFFFAOYSA-N -1 3 392.459 3.563 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436690381 852200783 /nfs/dbraw/zinc/20/07/83/852200783.db2.gz QBFWJAIGQRPPRN-DNVCBOLYSA-N -1 3 398.528 3.986 20 0 GHADHM COc1cc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)cc(OC)c1[O-] ZINC000436691973 852201438 /nfs/dbraw/zinc/20/14/38/852201438.db2.gz VXZYJWMDVNGOLF-UHFFFAOYSA-N -1 3 376.372 3.583 20 0 GHADHM COc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c([O-])c1 ZINC000436709797 852212931 /nfs/dbraw/zinc/21/29/31/852212931.db2.gz WPNGTQOTTVRLKI-UHFFFAOYSA-N -1 3 395.377 3.855 20 0 GHADHM COC(=O)c1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)no1 ZINC000436704629 852222691 /nfs/dbraw/zinc/22/26/91/852222691.db2.gz HPUQOVCFPKINAA-UHFFFAOYSA-N -1 3 395.396 3.696 20 0 GHADHM CCN1CCN(Cc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)CC1 ZINC001212513402 862335007 /nfs/dbraw/zinc/33/50/07/862335007.db2.gz OWQBBHMHGRISNT-UHFFFAOYSA-N -1 3 375.419 3.544 20 0 GHADHM CN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4cc3[O-])c2)CC1 ZINC000436724469 852251693 /nfs/dbraw/zinc/25/16/93/852251693.db2.gz RZGNHAABEBRCRM-UHFFFAOYSA-N -1 3 375.472 3.545 20 0 GHADHM CC(C)CC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC000436741051 852258959 /nfs/dbraw/zinc/25/89/59/852258959.db2.gz ROVWDZIDIAPJEV-IBGZPJMESA-N -1 3 389.540 3.711 20 0 GHADHM Cc1cc2cc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc2n(C)c1=O ZINC000436742864 852261491 /nfs/dbraw/zinc/26/14/91/852261491.db2.gz XCBAVMBHMYSTFF-UHFFFAOYSA-N -1 3 378.428 3.518 20 0 GHADHM Cc1nc2sc3c(c2c(NCCNC(=O)c2ccc([O-])cc2)n1)CC[C@@H](C)C3 ZINC000436746189 852266296 /nfs/dbraw/zinc/26/62/96/852266296.db2.gz GIEHCQNYGLXQKT-GFCCVEGCSA-N -1 3 396.516 3.672 20 0 GHADHM CCc1nc2sccc2c(NC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436732037 852271606 /nfs/dbraw/zinc/27/16/06/852271606.db2.gz BQDZBIWUPTYLAW-UHFFFAOYSA-N -1 3 382.489 3.676 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(Cc2ccco2)CC1 ZINC000436753008 852294778 /nfs/dbraw/zinc/29/47/78/852294778.db2.gz BRAFVAHHPDDVCQ-UHFFFAOYSA-N -1 3 378.428 3.736 20 0 GHADHM CC(C)c1cccc(-c2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)o2)c1 ZINC000436751326 852295264 /nfs/dbraw/zinc/29/52/64/852295264.db2.gz KNDULCBWMTXMQZ-UHFFFAOYSA-N -1 3 392.455 3.935 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC000517718994 852304929 /nfs/dbraw/zinc/30/49/29/852304929.db2.gz FQSOKJPMCLDBMX-UHFFFAOYSA-N -1 3 397.452 3.627 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000426720888 852305891 /nfs/dbraw/zinc/30/58/91/852305891.db2.gz POCHDNXCPQOHJP-SJCJKPOMSA-N -1 3 390.277 3.936 20 0 GHADHM COc1ccc(Cn2nc(C)c(CNCc3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000426708116 852312549 /nfs/dbraw/zinc/31/25/49/852312549.db2.gz GYLFQZJAPXMNIE-UHFFFAOYSA-N -1 3 379.460 3.545 20 0 GHADHM COc1ccc(CNCc2ccccc2CC(=O)[O-])cc1OCc1cccnc1 ZINC000426710974 852316620 /nfs/dbraw/zinc/31/66/20/852316620.db2.gz MIQWKXPOQKWEKU-UHFFFAOYSA-N -1 3 392.455 3.586 20 0 GHADHM CCn1nc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c2ccccc21 ZINC000426738059 852335060 /nfs/dbraw/zinc/33/50/60/852335060.db2.gz SMSTXAYZVPOIAO-IBGZPJMESA-N -1 3 383.517 3.575 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c1 ZINC000436784351 852337497 /nfs/dbraw/zinc/33/74/97/852337497.db2.gz WYYKSIPWQKPPLC-SFHVURJKSA-N -1 3 380.448 3.744 20 0 GHADHM COc1ccc(C[NH2+][C@H](C(=O)[O-])C2(C)CCCCC2)c(Br)c1[O-] ZINC000426745658 852346495 /nfs/dbraw/zinc/34/64/95/852346495.db2.gz HJGTXLXTOCLRBG-OAHLLOKOSA-N -1 3 386.286 3.677 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc(Br)c1O ZINC000426753016 852358710 /nfs/dbraw/zinc/35/87/10/852358710.db2.gz BZHRECDSNRVXAR-INIZCTEOSA-N -1 3 394.265 3.696 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000436805882 852364966 /nfs/dbraw/zinc/36/49/66/852364966.db2.gz GJASHQRXYFSAQW-GAJHUEQPSA-N -1 3 383.488 3.698 20 0 GHADHM CC[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(Cl)c1 ZINC000436813291 852373746 /nfs/dbraw/zinc/37/37/46/852373746.db2.gz ZKBXRSLQKGWCRN-CQSZACIVSA-N -1 3 379.840 3.650 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c([O-])c1 ZINC000436815101 852375760 /nfs/dbraw/zinc/37/57/60/852375760.db2.gz UOKFBRBAMJFPJM-SFHVURJKSA-N -1 3 390.277 3.931 20 0 GHADHM CCc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c([O-])c1 ZINC000436834247 852383240 /nfs/dbraw/zinc/38/32/40/852383240.db2.gz LMUVYRTWJQUXIY-MRXNPFEDSA-N -1 3 399.491 3.821 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000466567751 862351361 /nfs/dbraw/zinc/35/13/61/862351361.db2.gz QKOZRTAGSXAKBW-WMZOPIPTSA-N -1 3 383.897 3.878 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000426789501 852399451 /nfs/dbraw/zinc/39/94/51/852399451.db2.gz VJUQNDBLARGNNX-KRWDZBQOSA-N -1 3 383.366 3.942 20 0 GHADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCCO2)c1cccs1 ZINC000426793153 852402164 /nfs/dbraw/zinc/40/21/64/852402164.db2.gz PHVAYQIWWXNDES-CQSZACIVSA-N -1 3 398.278 3.587 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000426805876 852416502 /nfs/dbraw/zinc/41/65/02/852416502.db2.gz GQFNETNCBMQTBY-HNNXBMFYSA-N -1 3 399.365 3.908 20 0 GHADHM CCc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000031872794 852436326 /nfs/dbraw/zinc/43/63/26/852436326.db2.gz ZZEYJZZAJLOWES-UHFFFAOYSA-N -1 3 378.469 3.636 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H]3CC[C@H](C)C3)cs2)c1 ZINC000436877160 852442138 /nfs/dbraw/zinc/44/21/38/852442138.db2.gz NCFSNTGYPARCAX-SWLSCSKDSA-N -1 3 387.505 3.599 20 0 GHADHM CC(C)(C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1csc(-c2cccs2)n1 ZINC000507029769 852474640 /nfs/dbraw/zinc/47/46/40/852474640.db2.gz KSJSWOBUWDZCPJ-UHFFFAOYSA-N -1 3 395.513 3.995 20 0 GHADHM CN(Cc1cccs1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436900863 852486823 /nfs/dbraw/zinc/48/68/23/852486823.db2.gz DWQUIWIGAPZRDZ-HXUWFJFHSA-N -1 3 394.496 3.974 20 0 GHADHM Cc1ccc2sc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC000436913863 852492133 /nfs/dbraw/zinc/49/21/33/852492133.db2.gz HJIWMELCRQZIBX-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(I)cc3)no2)c1[O-] ZINC000436915677 852495077 /nfs/dbraw/zinc/49/50/77/852495077.db2.gz RURSRMIHNRJIFO-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM COc1cc(Cc2noc(-c3ccccc3[O-])n2)ccc1OCC(F)(F)F ZINC000436920880 852501550 /nfs/dbraw/zinc/50/15/50/852501550.db2.gz UFBROQMUSSAIJY-UHFFFAOYSA-N -1 3 380.322 3.983 20 0 GHADHM CCN(CC1CCC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436921766 852503652 /nfs/dbraw/zinc/50/36/52/852503652.db2.gz UVJCFTQHJWURCU-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1[O-] ZINC000436925491 852508209 /nfs/dbraw/zinc/50/82/09/852508209.db2.gz GKPSDMVAJMJAQS-UHFFFAOYSA-N -1 3 389.411 3.880 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(Nc2ncnc3c4ccccc4oc32)CC1 ZINC000436938706 852521964 /nfs/dbraw/zinc/52/19/64/852521964.db2.gz WEBWAOYBLIBDSY-UHFFFAOYSA-N -1 3 388.427 3.798 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000436945375 852527190 /nfs/dbraw/zinc/52/71/90/852527190.db2.gz PQHUSNPHFBLNCD-OALUTQOASA-N -1 3 398.890 3.570 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000436945380 852527428 /nfs/dbraw/zinc/52/74/28/852527428.db2.gz PQHUSNPHFBLNCD-RTBURBONSA-N -1 3 398.890 3.570 20 0 GHADHM O=C(Nc1csc2ccccc12)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436963775 852535539 /nfs/dbraw/zinc/53/55/39/852535539.db2.gz HDRJRLDMOQSQFB-UHFFFAOYSA-N -1 3 381.457 3.597 20 0 GHADHM C[C@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436957018 852546095 /nfs/dbraw/zinc/54/60/95/852546095.db2.gz QZVWXDWSEPVWGJ-DYVFJYSZSA-N -1 3 394.393 3.568 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489693351 852549959 /nfs/dbraw/zinc/54/99/59/852549959.db2.gz VPVQCWKUGFNFQN-GXFFZTMASA-N -1 3 399.406 3.596 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000436984873 852593068 /nfs/dbraw/zinc/59/30/68/852593068.db2.gz NUDKVCFBKQFKCR-INIZCTEOSA-N -1 3 377.481 3.765 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)c(F)cc1F ZINC000329860752 862379609 /nfs/dbraw/zinc/37/96/09/862379609.db2.gz XNFDGSKGLBJTDS-LJQANCHMSA-N -1 3 393.455 3.646 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 ZINC000506312047 852672369 /nfs/dbraw/zinc/67/23/69/852672369.db2.gz HVGBBZJYIYTFCS-YOEHRIQHSA-N -1 3 387.553 3.821 20 0 GHADHM CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000507209652 852673028 /nfs/dbraw/zinc/67/30/28/852673028.db2.gz RLDJZBQKNBLHKE-HNNXBMFYSA-N -1 3 387.455 3.870 20 0 GHADHM CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000507209653 852673423 /nfs/dbraw/zinc/67/34/23/852673423.db2.gz RLDJZBQKNBLHKE-OAHLLOKOSA-N -1 3 387.455 3.870 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2)c1 ZINC000473854129 852676267 /nfs/dbraw/zinc/67/62/67/852676267.db2.gz YGFDUMNUYXDJAQ-OAQYLSRUSA-N -1 3 391.471 3.752 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000427148425 852774098 /nfs/dbraw/zinc/77/40/98/852774098.db2.gz WUIWHUICYJIFOA-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000427172409 852807775 /nfs/dbraw/zinc/80/77/75/852807775.db2.gz WRFIXAXPGQHIIC-UHFFFAOYSA-N -1 3 390.852 3.519 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000506015005 852967885 /nfs/dbraw/zinc/96/78/85/852967885.db2.gz NZEVPAINCSHLPD-UHFFFAOYSA-N -1 3 391.353 3.506 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000437294849 852989434 /nfs/dbraw/zinc/98/94/34/852989434.db2.gz NNLJEVPOYDPYQT-IUCAKERBSA-N -1 3 375.334 3.751 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473860050 853014812 /nfs/dbraw/zinc/01/48/12/853014812.db2.gz WSOPZQPVMFTZAS-IBGZPJMESA-N -1 3 378.432 3.688 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)c(Br)c(Cl)c1 ZINC000507555614 853023676 /nfs/dbraw/zinc/02/36/76/853023676.db2.gz UOOKBVIDMADMBH-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(Br)c(Cl)c1 ZINC000507555614 853023685 /nfs/dbraw/zinc/02/36/85/853023685.db2.gz UOOKBVIDMADMBH-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(Br)c1 ZINC000516808717 853042234 /nfs/dbraw/zinc/04/22/34/853042234.db2.gz ODJDNVMVKUYVQE-UHFFFAOYSA-N -1 3 399.310 3.887 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)cccc21 ZINC000516841028 853075304 /nfs/dbraw/zinc/07/53/04/853075304.db2.gz SHVSARFYIXDKFL-QGZVFWFLSA-N -1 3 398.887 3.806 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1OC ZINC000507638979 853119064 /nfs/dbraw/zinc/11/90/64/853119064.db2.gz VAFDWUCMSVTRKJ-UHFFFAOYSA-N -1 3 397.468 3.667 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1 ZINC000507633486 853128209 /nfs/dbraw/zinc/12/82/09/853128209.db2.gz BYCVOZWMWCHOCY-UHFFFAOYSA-N -1 3 377.506 3.936 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1OCCc2sccc21 ZINC000490614981 853138070 /nfs/dbraw/zinc/13/80/70/853138070.db2.gz CXIURUCPUKIIGL-VFZGTOFNSA-N -1 3 375.874 3.521 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)sc1Cl ZINC000490618810 853139988 /nfs/dbraw/zinc/13/99/88/853139988.db2.gz JRGANJCHBXJXFH-TVQRCGJNSA-N -1 3 377.940 3.752 20 0 GHADHM CN(Cc1c(F)ccc([O-])c1F)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000507651655 853140174 /nfs/dbraw/zinc/14/01/74/853140174.db2.gz FXHQHDCHPCIPRP-GFCCVEGCSA-N -1 3 391.336 3.561 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299712 853210918 /nfs/dbraw/zinc/21/09/18/853210918.db2.gz QJJRYEGTBJRMCW-HNNXBMFYSA-N -1 3 393.443 3.654 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299712 853210922 /nfs/dbraw/zinc/21/09/22/853210922.db2.gz QJJRYEGTBJRMCW-HNNXBMFYSA-N -1 3 393.443 3.654 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C(C)C)c1 ZINC000913301800 853212250 /nfs/dbraw/zinc/21/22/50/853212250.db2.gz BJZPWQINHPUVRK-IBGZPJMESA-N -1 3 395.415 3.692 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C(C)C)c1 ZINC000913301800 853212254 /nfs/dbraw/zinc/21/22/54/853212254.db2.gz BJZPWQINHPUVRK-IBGZPJMESA-N -1 3 395.415 3.692 20 0 GHADHM Cc1cc(C(C)(C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1Br ZINC000519616607 853278328 /nfs/dbraw/zinc/27/83/28/853278328.db2.gz RAZZHPIRPZMTKQ-UHFFFAOYSA-N -1 3 390.281 3.796 20 0 GHADHM CCC(CC)[C@@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)OC ZINC000437618184 853344408 /nfs/dbraw/zinc/34/44/08/853344408.db2.gz CZIXKGDEWJSWLH-MRXNPFEDSA-N -1 3 387.318 3.795 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481872752 862454905 /nfs/dbraw/zinc/45/49/05/862454905.db2.gz JBHOTUKKPVPFFH-UHFFFAOYSA-N -1 3 395.912 3.551 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000437691604 853422761 /nfs/dbraw/zinc/42/27/61/853422761.db2.gz ALJMIWMNWXSQSU-HNAYVOBHSA-N -1 3 381.444 3.719 20 0 GHADHM CCCCOC1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000437763328 853486395 /nfs/dbraw/zinc/48/63/95/853486395.db2.gz LTJLFFZFBQFPSU-UHFFFAOYSA-N -1 3 384.480 3.971 20 0 GHADHM O=C(Nc1cnn(Cc2ccccn2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000586758389 853524990 /nfs/dbraw/zinc/52/49/90/853524990.db2.gz AWPGJEQCNMIRRP-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM CN(Cc1ccc[nH]1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430606690 853549982 /nfs/dbraw/zinc/54/99/82/853549982.db2.gz XOOUWCSSBFJLGE-UHFFFAOYSA-N -1 3 394.656 3.544 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c(Cl)c1 ZINC000517257150 853575401 /nfs/dbraw/zinc/57/54/01/853575401.db2.gz ARLAZINQNXLJIO-MRXNPFEDSA-N -1 3 396.896 3.535 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000171584209 862490020 /nfs/dbraw/zinc/49/00/20/862490020.db2.gz KZAUHFTWBAVWAR-UHFFFAOYSA-N -1 3 380.897 3.887 20 0 GHADHM CC[C@]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)(C(=O)OC)c1ccccc1 ZINC000570988555 853706089 /nfs/dbraw/zinc/70/60/89/853706089.db2.gz XIBMKMWVCMTICE-LJQANCHMSA-N -1 3 397.443 3.522 20 0 GHADHM CCc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccc(F)cc1 ZINC000519998540 853738039 /nfs/dbraw/zinc/73/80/39/853738039.db2.gz ODVPIENJUMPOEO-UHFFFAOYSA-N -1 3 375.407 3.638 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC)CC)ccc2C)cc1 ZINC000027474870 853819161 /nfs/dbraw/zinc/81/91/61/853819161.db2.gz NLTKCOSVLSJRKB-UHFFFAOYSA-N -1 3 390.505 3.677 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1C ZINC000055582910 854013569 /nfs/dbraw/zinc/01/35/69/854013569.db2.gz UHIGWVTWJGYBNH-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1Cl ZINC000481942282 862527373 /nfs/dbraw/zinc/52/73/73/862527373.db2.gz CLMWFXCBLCBYGI-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)s1 ZINC000588015785 854077504 /nfs/dbraw/zinc/07/75/04/854077504.db2.gz SVJVEBKYXHBVMF-UHFFFAOYSA-N -1 3 388.474 3.985 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000473902747 854210802 /nfs/dbraw/zinc/21/08/02/854210802.db2.gz MWFPXXBOAXWUHV-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000473902747 854210810 /nfs/dbraw/zinc/21/08/10/854210810.db2.gz MWFPXXBOAXWUHV-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccccc2F)sc1Cl ZINC000473908333 854232656 /nfs/dbraw/zinc/23/26/56/854232656.db2.gz DKDISEQMODGFBC-CQSZACIVSA-N -1 3 399.900 3.650 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928940 854315661 /nfs/dbraw/zinc/31/56/61/854315661.db2.gz RNBAMFFJYZIEQC-HZPDHXFCSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000473928940 854315665 /nfs/dbraw/zinc/31/56/65/854315665.db2.gz RNBAMFFJYZIEQC-HZPDHXFCSA-N -1 3 388.258 3.840 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c1Cl ZINC000572277523 854471357 /nfs/dbraw/zinc/47/13/57/854471357.db2.gz VNOIUHZFTCXYOD-ZDUSSCGKSA-N -1 3 382.309 3.513 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(OCc4ccccc4)CC3)nc2)n1 ZINC000068661378 854606104 /nfs/dbraw/zinc/60/61/04/854606104.db2.gz SGOPAXKTIYBWDX-UHFFFAOYSA-N -1 3 390.487 3.580 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]nc1-c1ccsc1 ZINC000188782175 854927307 /nfs/dbraw/zinc/92/73/07/854927307.db2.gz DCJGCQJXDWLRHM-UHFFFAOYSA-N -1 3 378.251 3.536 20 0 GHADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000092263236 854929160 /nfs/dbraw/zinc/92/91/60/854929160.db2.gz QLVVKIKLGOAFGQ-GFCCVEGCSA-N -1 3 382.766 3.846 20 0 GHADHM CSc1cccc(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000186402925 855010086 /nfs/dbraw/zinc/01/00/86/855010086.db2.gz LGNMEPQUFMEPEE-UHFFFAOYSA-N -1 3 398.257 3.777 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000186404114 855022522 /nfs/dbraw/zinc/02/25/22/855022522.db2.gz WAHZNFUSHPMQKJ-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM CCc1ccc(C(=O)NCCCc2nnc(SC)n2C2CCCC2)c([O-])c1 ZINC000189156906 855043232 /nfs/dbraw/zinc/04/32/32/855043232.db2.gz DTDCXUUEMFMZBL-UHFFFAOYSA-N -1 3 388.537 3.746 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589687080 855106895 /nfs/dbraw/zinc/10/68/95/855106895.db2.gz XTUQNNONHSATJV-NSHDSACASA-N -1 3 381.259 3.648 20 0 GHADHM CC(C)(C)c1ccc(C2(CNC(=O)CNC(=O)c3ccc([O-])cc3)CCC2)cc1 ZINC000589693464 855110355 /nfs/dbraw/zinc/11/03/55/855110355.db2.gz KZAHBOIQUQFQPO-UHFFFAOYSA-N -1 3 394.515 3.658 20 0 GHADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1Oc1ccccc1 ZINC000589695864 855112296 /nfs/dbraw/zinc/11/22/96/855112296.db2.gz SVDZIHRRDHDVPC-INIZCTEOSA-N -1 3 390.439 3.792 20 0 GHADHM CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000004879151 855188139 /nfs/dbraw/zinc/18/81/39/855188139.db2.gz DKWRVILEODVMBX-UHFFFAOYSA-N -1 3 390.505 3.724 20 0 GHADHM COc1ccnc(OC)c1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC001128046634 855194842 /nfs/dbraw/zinc/19/48/42/855194842.db2.gz STQRTDGIGDNAAP-CQSZACIVSA-N -1 3 396.472 3.671 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000057122417 855226562 /nfs/dbraw/zinc/22/65/62/855226562.db2.gz CGTKNXHLQLJYDZ-UHFFFAOYSA-N -1 3 392.477 3.706 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000130883050 855346168 /nfs/dbraw/zinc/34/61/68/855346168.db2.gz WESGQNGJRLLMOL-NXEZZACHSA-N -1 3 399.818 3.526 20 0 GHADHM CC(C)N(Cc1cccc(Br)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572982944 855450930 /nfs/dbraw/zinc/45/09/30/855450930.db2.gz CAEKHJURDHCRAF-UHFFFAOYSA-N -1 3 390.281 3.873 20 0 GHADHM O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc([O-])c1 ZINC000542689686 855457889 /nfs/dbraw/zinc/45/78/89/855457889.db2.gz PREPJFQTPQPGBY-UHFFFAOYSA-N -1 3 385.228 3.723 20 0 GHADHM COc1cc2c(cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1)oc1ccccc12 ZINC000733084349 862699127 /nfs/dbraw/zinc/69/91/27/862699127.db2.gz AJXBGEISBGIGRH-UHFFFAOYSA-N -1 3 385.397 3.843 20 0 GHADHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC000895078677 855571302 /nfs/dbraw/zinc/57/13/02/855571302.db2.gz AMSADIHFRKVSGW-HXUWFJFHSA-N -1 3 397.425 3.850 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1cc(F)ccc1Cl ZINC000590791780 855588854 /nfs/dbraw/zinc/58/88/54/855588854.db2.gz DOKLPGUJESKOHA-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM CN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCN(CCC(F)(F)F)CC1 ZINC000909440255 855620855 /nfs/dbraw/zinc/62/08/55/855620855.db2.gz SKXKXOQNPPYAGL-UHFFFAOYSA-N -1 3 399.388 3.568 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1ccc(C(F)F)cc1 ZINC000482110809 862714122 /nfs/dbraw/zinc/71/41/22/862714122.db2.gz BFFGZZLBPKODTB-UHFFFAOYSA-N -1 3 395.207 3.778 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOCC(F)(F)F)c1Cl ZINC000614604699 855742112 /nfs/dbraw/zinc/74/21/12/855742112.db2.gz JICLUQOMXGGDEH-UHFFFAOYSA-N -1 3 380.215 3.549 20 0 GHADHM C[C@@H]1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC12CCC2 ZINC000482113530 862715547 /nfs/dbraw/zinc/71/55/47/862715547.db2.gz LFTNRPZXWKARSP-GFCCVEGCSA-N -1 3 377.286 3.563 20 0 GHADHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1c(Cl)cccc1Cl ZINC000014812861 862723030 /nfs/dbraw/zinc/72/30/30/862723030.db2.gz ZJLDRGCYUBYNBF-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC(C1CC1)C1CC1 ZINC000542807197 855938730 /nfs/dbraw/zinc/93/87/30/855938730.db2.gz WVKKAGXMCYMGLY-JOCHJYFZSA-N -1 3 392.499 3.806 20 0 GHADHM COc1cc(-c2nc(-c3sccc3Br)no2)cc(OC)c1[O-] ZINC000904891081 856036196 /nfs/dbraw/zinc/03/61/96/856036196.db2.gz JBCKIWVYWJBDKG-UHFFFAOYSA-N -1 3 383.223 3.950 20 0 GHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cc(C)sc2C)cc1OC ZINC000029336353 856038746 /nfs/dbraw/zinc/03/87/46/856038746.db2.gz BTLOYWDTIFLZDB-UHFFFAOYSA-N -1 3 389.882 3.614 20 0 GHADHM COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1 ZINC000485097914 856107575 /nfs/dbraw/zinc/10/75/75/856107575.db2.gz YVMADTAFDHDRKW-GFCCVEGCSA-N -1 3 378.388 3.633 20 0 GHADHM COc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485097914 856107581 /nfs/dbraw/zinc/10/75/81/856107581.db2.gz YVMADTAFDHDRKW-GFCCVEGCSA-N -1 3 378.388 3.633 20 0 GHADHM CCOc1ccc(OCC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1 ZINC000485132352 856130871 /nfs/dbraw/zinc/13/08/71/856130871.db2.gz ZYLIEFZXJBDBKQ-UHFFFAOYSA-N -1 3 378.388 3.634 20 0 GHADHM CCOc1ccc(OCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485132352 856130881 /nfs/dbraw/zinc/13/08/81/856130881.db2.gz ZYLIEFZXJBDBKQ-UHFFFAOYSA-N -1 3 378.388 3.634 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@H](c1ccccc1)n1cccn1 ZINC000485147242 856144997 /nfs/dbraw/zinc/14/49/97/856144997.db2.gz ZDVSFDBJRSIAQR-SFHVURJKSA-N -1 3 384.399 3.643 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H](c1ccccc1)n1cccn1 ZINC000485147242 856145003 /nfs/dbraw/zinc/14/50/03/856145003.db2.gz ZDVSFDBJRSIAQR-SFHVURJKSA-N -1 3 384.399 3.643 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000181135634 862766659 /nfs/dbraw/zinc/76/66/59/862766659.db2.gz PHZCKQOUTNVXRC-HXUWFJFHSA-N -1 3 381.451 3.966 20 0 GHADHM C[C@H](CCNCc1cc(Cl)ccc1I)CC(=O)[O-] ZINC000405225148 856224017 /nfs/dbraw/zinc/22/40/17/856224017.db2.gz SEWBTJIKQQMDRZ-SECBINFHSA-N -1 3 381.641 3.535 20 0 GHADHM COc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc(OC)c1OC ZINC000485364083 856403100 /nfs/dbraw/zinc/40/31/00/856403100.db2.gz SENDQJGXCIYUBC-UHFFFAOYSA-N -1 3 381.215 3.923 20 0 GHADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(Oc2ccnc3ccccc32)c1 ZINC000172369870 856414713 /nfs/dbraw/zinc/41/47/13/856414713.db2.gz JYXYTQWZCGELJD-KRWDZBQOSA-N -1 3 384.457 3.948 20 0 GHADHM COc1ccccc1N1CC[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000471949007 856455438 /nfs/dbraw/zinc/45/54/38/856455438.db2.gz PXYMZIRGNBYLEL-MRXNPFEDSA-N -1 3 376.456 3.810 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2cc3c(cc2[O-])OCO3)s1)c1ccccc1 ZINC000436836401 856466445 /nfs/dbraw/zinc/46/64/45/856466445.db2.gz CFZGPHOFIRRXAW-LBPRGKRZSA-N -1 3 383.429 3.767 20 0 GHADHM C[C@H]1CC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000138275498 856469108 /nfs/dbraw/zinc/46/91/08/856469108.db2.gz IKMUXYBSMOFAPC-KBPBESRZSA-N -1 3 376.453 3.640 20 0 GHADHM CCCC[C@H](CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001128760892 856473597 /nfs/dbraw/zinc/47/35/97/856473597.db2.gz PIEVIXMYQJVOQQ-LBPRGKRZSA-N -1 3 395.352 3.604 20 0 GHADHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC001211875366 856479511 /nfs/dbraw/zinc/47/95/11/856479511.db2.gz MKBWSKNHQGETCQ-UHFFFAOYSA-N -1 3 390.249 3.557 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2c(Br)cccc2C1 ZINC000172626907 856505556 /nfs/dbraw/zinc/50/55/56/856505556.db2.gz FSOICPPGKXGXCY-UHFFFAOYSA-N -1 3 379.229 3.562 20 0 GHADHM Cc1noc(C[C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000905778886 856545390 /nfs/dbraw/zinc/54/53/90/856545390.db2.gz YGKJUSWRJWTAEN-OAHLLOKOSA-N -1 3 381.432 3.791 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000482209182 862810911 /nfs/dbraw/zinc/81/09/11/862810911.db2.gz JZYLLVNNPVIXBS-UHFFFAOYSA-N -1 3 386.805 3.995 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000482209208 862811425 /nfs/dbraw/zinc/81/14/25/862811425.db2.gz KDSYWNRNPFNJBB-YPMHNXCESA-N -1 3 396.413 3.650 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000472267917 856595337 /nfs/dbraw/zinc/59/53/37/856595337.db2.gz KISMFWPMFQUYLX-KRWDZBQOSA-N -1 3 377.366 3.929 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000436844595 856597446 /nfs/dbraw/zinc/59/74/46/856597446.db2.gz GSPBQWRJUQIHAM-CYBMUJFWSA-N -1 3 377.849 3.781 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cc(Br)ccc1F ZINC000605163998 862815252 /nfs/dbraw/zinc/81/52/52/862815252.db2.gz DCXNHOWSFFCRKV-GFCCVEGCSA-N -1 3 388.283 3.714 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnn(C2CCC2)c1 ZINC000905895849 856674733 /nfs/dbraw/zinc/67/47/33/856674733.db2.gz XLDDQCJFRDJVMW-UHFFFAOYSA-N -1 3 380.404 3.692 20 0 GHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3n[nH]c([C@H]4CCCO4)n3)n2)c1 ZINC000656207933 856711977 /nfs/dbraw/zinc/71/19/77/856711977.db2.gz HGEAIEUNGDXYEE-LLVKDONJSA-N -1 3 381.223 3.625 20 0 GHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3nc([C@H]4CCCO4)n[nH]3)n2)c1 ZINC000656207933 856711983 /nfs/dbraw/zinc/71/19/83/856711983.db2.gz HGEAIEUNGDXYEE-LLVKDONJSA-N -1 3 381.223 3.625 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cn1 ZINC000509235598 856722949 /nfs/dbraw/zinc/72/29/49/856722949.db2.gz CIJWZLNDKSGSLK-CYBMUJFWSA-N -1 3 382.766 3.764 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000674744862 856759670 /nfs/dbraw/zinc/75/96/70/856759670.db2.gz NQDHYGDDTGCODI-UHFFFAOYSA-N -1 3 375.222 3.682 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3oc4c(c3C)C(=O)CCC4)c2)n1 ZINC000046067399 856805136 /nfs/dbraw/zinc/80/51/36/856805136.db2.gz QKTVVMFFDRDCGY-UHFFFAOYSA-N -1 3 391.427 3.672 20 0 GHADHM CCCCc1nc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c(C(=O)OCC)[n-]1 ZINC000485671530 856910630 /nfs/dbraw/zinc/91/06/30/856910630.db2.gz SSJBXYNXOHNTFZ-LSDHHAIUSA-N -1 3 379.501 3.709 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3[C@H](C)C[C@@H]4CCCC[C@@H]43)nc(=O)c2c1C ZINC000253543210 857020923 /nfs/dbraw/zinc/02/09/23/857020923.db2.gz AVLIZNWPSKPULK-WXHSDQCUSA-N -1 3 375.494 3.645 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccccc3O)cc2)cc1 ZINC000508196329 857057731 /nfs/dbraw/zinc/05/77/31/857057731.db2.gz XWMXDGJPJRQFOG-UHFFFAOYSA-N -1 3 396.468 3.683 20 0 GHADHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000675224299 857093328 /nfs/dbraw/zinc/09/33/28/857093328.db2.gz AZIZYFBDHUOLMK-IBGZPJMESA-N -1 3 392.463 3.569 20 0 GHADHM CC(C)c1ccc(C(=O)N(CCC(=O)OC(C)(C)C)C2CCOCC2)c([O-])c1 ZINC000592815523 857098733 /nfs/dbraw/zinc/09/87/33/857098733.db2.gz MWFNWYGHWSUOGP-UHFFFAOYSA-N -1 3 391.508 3.869 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1 ZINC000057123651 857148423 /nfs/dbraw/zinc/14/84/23/857148423.db2.gz UQQVMVIGDSYYKW-OAHLLOKOSA-N -1 3 379.478 3.690 20 0 GHADHM O=C(NCC1(c2ccccc2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112627631 857166383 /nfs/dbraw/zinc/16/63/83/857166383.db2.gz VEQXPTZTOZOUBD-UHFFFAOYSA-N -1 3 397.272 3.752 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000574067770 857209013 /nfs/dbraw/zinc/20/90/13/857209013.db2.gz YNWAJCHPHCDLOV-CYBMUJFWSA-N -1 3 382.309 3.533 20 0 GHADHM CN(CCc1ccccc1F)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906633829 857215767 /nfs/dbraw/zinc/21/57/67/857215767.db2.gz POKBEFCEOFNCAN-UHFFFAOYSA-N -1 3 379.457 3.944 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000906922444 857391877 /nfs/dbraw/zinc/39/18/77/857391877.db2.gz WHDGXXXSDHKUSF-CYBMUJFWSA-N -1 3 387.386 3.638 20 0 GHADHM CCN(CC)C(=O)c1ccc(Nc2ncc(Br)cc2[O-])c(OC)c1 ZINC001212460150 857416525 /nfs/dbraw/zinc/41/65/25/857416525.db2.gz SZTISWQBCKAVRP-UHFFFAOYSA-N -1 3 394.269 3.784 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(Br)nc1C)c1ccccc1N ZINC001212566674 857446027 /nfs/dbraw/zinc/44/60/27/857446027.db2.gz HZNCNGRHCLVTCW-UHFFFAOYSA-N -1 3 395.282 3.514 20 0 GHADHM COC(=O)N=C([S-])N(c1ccc(Br)nc1C)c1ccccc1N ZINC001212566674 857446032 /nfs/dbraw/zinc/44/60/32/857446032.db2.gz HZNCNGRHCLVTCW-UHFFFAOYSA-N -1 3 395.282 3.514 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1c(C)noc1C ZINC000907139947 857492710 /nfs/dbraw/zinc/49/27/10/857492710.db2.gz XQWOCWOLIRPXJT-NSHDSACASA-N -1 3 388.212 3.808 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)N[C@@H](c1nccs1)c1ccccc1 ZINC000733407671 862923826 /nfs/dbraw/zinc/92/38/26/862923826.db2.gz OSUPGRJGWIPNSZ-MRXNPFEDSA-N -1 3 397.481 3.749 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)cc1F ZINC000521021805 857511228 /nfs/dbraw/zinc/51/12/28/857511228.db2.gz KRYXCXBJXJHQQT-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2C(=O)OCc2ccccc2)o1 ZINC001129052969 857590725 /nfs/dbraw/zinc/59/07/25/857590725.db2.gz BKCSOCXRJRZJKG-UHFFFAOYSA-N -1 3 397.358 3.815 20 0 GHADHM Cc1cnc([C@H](C)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000907366380 857606100 /nfs/dbraw/zinc/60/61/00/857606100.db2.gz ILEVEPMGCZYJAB-SECBINFHSA-N -1 3 382.511 3.789 20 0 GHADHM O=C([O-])[C@@H]1CN(CCOc2ccc(OC(F)(F)F)cc2)Cc2ccccc21 ZINC000593743874 857673520 /nfs/dbraw/zinc/67/35/20/857673520.db2.gz JGJUJTIWUNPIFA-QGZVFWFLSA-N -1 3 381.350 3.648 20 0 GHADHM O=C([O-])C[C@@H](NCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000499600647 857686666 /nfs/dbraw/zinc/68/66/66/857686666.db2.gz YSTSFSXBZQZRDE-OAHLLOKOSA-N -1 3 392.249 3.526 20 0 GHADHM C[C@](O)(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1Cl ZINC000765772798 857729268 /nfs/dbraw/zinc/72/92/68/857729268.db2.gz UXVDRHFGCNJBJD-INIZCTEOSA-N -1 3 375.749 3.734 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000593862708 857748688 /nfs/dbraw/zinc/74/86/88/857748688.db2.gz XRRAJDKTYPAIMR-WMZOPIPTSA-N -1 3 385.435 3.760 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)c2)n1 ZINC000065734256 857841787 /nfs/dbraw/zinc/84/17/87/857841787.db2.gz PSTFDLHDKFYNFV-LBPRGKRZSA-N -1 3 399.397 3.684 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000065785998 857849588 /nfs/dbraw/zinc/84/95/88/857849588.db2.gz VIUUBULGFUJULQ-HXUWFJFHSA-N -1 3 385.423 3.676 20 0 GHADHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000486577881 857878774 /nfs/dbraw/zinc/87/87/74/857878774.db2.gz PYJCDVBJIDOHFK-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(OC(C)C)c3)c2)n1 ZINC000066023659 857896289 /nfs/dbraw/zinc/89/62/89/857896289.db2.gz ARWWRMYCEAOJDL-UHFFFAOYSA-N -1 3 391.471 3.968 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000031716363 857974519 /nfs/dbraw/zinc/97/45/19/857974519.db2.gz JONGONTXKYFMKP-CQSZACIVSA-N -1 3 378.469 3.743 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1ccc(Cl)cc1C(F)(F)F ZINC000760605726 857980939 /nfs/dbraw/zinc/98/09/39/857980939.db2.gz AYZHOHGVYVXSJS-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)s1 ZINC000486678734 857987039 /nfs/dbraw/zinc/98/70/39/857987039.db2.gz SGOPTYBNLZOSBD-GUTXKFCHSA-N -1 3 398.347 3.683 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F ZINC000521483170 858053403 /nfs/dbraw/zinc/05/34/03/858053403.db2.gz NQDJFIZGWWPTPP-UHFFFAOYSA-N -1 3 394.321 3.607 20 0 GHADHM O=S(=O)([N-]CCc1cccc2ccccc21)c1cnccc1C(F)(F)F ZINC000442774758 858116797 /nfs/dbraw/zinc/11/67/97/858116797.db2.gz WIZFKOGJRJAHNA-UHFFFAOYSA-N -1 3 380.391 3.775 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc21)c1cnccc1C(F)(F)F ZINC000442811795 858155091 /nfs/dbraw/zinc/15/50/91/858155091.db2.gz POVLABWCHYLZBG-CYBMUJFWSA-N -1 3 376.787 3.720 20 0 GHADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000521689063 858247857 /nfs/dbraw/zinc/24/78/57/858247857.db2.gz HARBXHZGUKCIAW-KOLCDFICSA-N -1 3 387.324 3.507 20 0 GHADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c([O-])c1 ZINC000191052443 858405571 /nfs/dbraw/zinc/40/55/71/858405571.db2.gz HPIGGGQBWHKDOG-SFHVURJKSA-N -1 3 384.501 3.725 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)CCc3cccn3C)cc2)cc(=O)[n-]1 ZINC000466141043 858462460 /nfs/dbraw/zinc/46/24/60/858462460.db2.gz CFSMPTTUWANXSB-CQSZACIVSA-N -1 3 379.464 3.639 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc1F ZINC000521972666 858501886 /nfs/dbraw/zinc/50/18/86/858501886.db2.gz ZCFAQMDUHWTFRT-CYBMUJFWSA-N -1 3 390.798 3.993 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000443269680 858516594 /nfs/dbraw/zinc/51/65/94/858516594.db2.gz WPABAQHAORPGEP-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CSc1nc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)n[n-]1 ZINC000522123061 858646230 /nfs/dbraw/zinc/64/62/30/858646230.db2.gz CFYXIWSFJWLZKW-UHFFFAOYSA-N -1 3 387.513 3.710 20 0 GHADHM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000425157367 858701829 /nfs/dbraw/zinc/70/18/29/858701829.db2.gz HMMOAWPWDSDQBN-UHFFFAOYSA-N -1 3 381.350 3.845 20 0 GHADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000543161106 858702534 /nfs/dbraw/zinc/70/25/34/858702534.db2.gz UJNJUOYAFRVMRM-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000443492862 858826764 /nfs/dbraw/zinc/82/67/64/858826764.db2.gz RNUWCOXDEOJAHT-SMDDNHRTSA-N -1 3 399.862 3.968 20 0 GHADHM O=S(=O)(Cc1ncc(-c2ccc(Br)cc2)o1)c1cccc([O-])c1 ZINC000183975228 858850268 /nfs/dbraw/zinc/85/02/68/858850268.db2.gz LEBGSARQAGXULI-UHFFFAOYSA-N -1 3 394.246 3.784 20 0 GHADHM COCc1nc2sc(C(=O)[N-]c3c(C)noc3C3CC3)c(C)c2c(OC)n1 ZINC000184080070 858871897 /nfs/dbraw/zinc/87/18/97/858871897.db2.gz DETJLBXTTYPVCN-UHFFFAOYSA-N -1 3 388.449 3.581 20 0 GHADHM CCC(CC)[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccs1 ZINC000482862332 858927568 /nfs/dbraw/zinc/92/75/68/858927568.db2.gz YEEHVOBMBGOMNZ-LBPRGKRZSA-N -1 3 375.420 3.862 20 0 GHADHM CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc(F)ccc1[O-] ZINC000094120788 859029145 /nfs/dbraw/zinc/02/91/45/859029145.db2.gz MVIASUNVKWLGRC-UHFFFAOYSA-N -1 3 397.450 3.859 20 0 GHADHM C[C@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cccc1Cl ZINC000482990032 859044952 /nfs/dbraw/zinc/04/49/52/859044952.db2.gz ROMXOLFCYAVFHU-SSDOTTSWSA-N -1 3 396.200 3.733 20 0 GHADHM Cc1oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2c1C ZINC000185387938 859078040 /nfs/dbraw/zinc/07/80/40/859078040.db2.gz HXZYJKDHIGBSMU-SFHVURJKSA-N -1 3 378.428 3.999 20 0 GHADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1Cl ZINC000483098582 859136614 /nfs/dbraw/zinc/13/66/14/859136614.db2.gz KGQLGUJSCDOCRN-ZCFIWIBFSA-N -1 3 382.173 3.691 20 0 GHADHM CCc1noc(C)c1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000483116566 859160680 /nfs/dbraw/zinc/16/06/80/859160680.db2.gz FNYONWRNLJNMPE-UHFFFAOYSA-N -1 3 393.216 3.511 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000522361742 859203027 /nfs/dbraw/zinc/20/30/27/859203027.db2.gz HZYKTSPGNOERFF-UHFFFAOYSA-N -1 3 386.315 3.953 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3nc(-c4ccccc4)c[nH]3)cc(=O)oc12 ZINC000764238849 859319704 /nfs/dbraw/zinc/31/97/04/859319704.db2.gz UXCYRLVUXAYLRY-UHFFFAOYSA-N -1 3 375.428 3.829 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000923466853 859332975 /nfs/dbraw/zinc/33/29/75/859332975.db2.gz AUOJWHVCZDBSBR-FPOVZHCZSA-N -1 3 386.517 3.531 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Br)cs3)cc2)n1 ZINC000195488480 859387932 /nfs/dbraw/zinc/38/79/32/859387932.db2.gz RQFRSDXWTGRQBT-UHFFFAOYSA-N -1 3 390.262 3.822 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000195564113 859390672 /nfs/dbraw/zinc/39/06/72/859390672.db2.gz JNHNASJHZVTHRG-GJZGRUSLSA-N -1 3 382.460 3.771 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)ccc1Cl ZINC000543687178 859451836 /nfs/dbraw/zinc/45/18/36/859451836.db2.gz GWCJTLNJBIPGFK-GOEBONIOSA-N -1 3 387.835 3.817 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000016470356 859525931 /nfs/dbraw/zinc/52/59/31/859525931.db2.gz ZSBJBADKWGYLEX-NRFANRHFSA-N -1 3 395.890 3.879 20 0 GHADHM O=C(NCc1cccc2ccccc21)N[N-]C(=O)c1ccccc1Br ZINC000060565278 859555268 /nfs/dbraw/zinc/55/52/68/859555268.db2.gz BJUROUNERKWNPV-UHFFFAOYSA-N -1 3 398.260 3.747 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1 ZINC000117739095 859600557 /nfs/dbraw/zinc/60/05/57/859600557.db2.gz OJXBVYZHKKKWDI-XMMPIXPASA-N -1 3 381.519 3.794 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(CSCc3ccccc3)no2)cc1 ZINC000546445884 859611660 /nfs/dbraw/zinc/61/16/60/859611660.db2.gz YIYMUHHGKPPGSD-UHFFFAOYSA-N -1 3 375.475 3.542 20 0 GHADHM Cc1cc2cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])oc2cc1C ZINC000673504764 859612706 /nfs/dbraw/zinc/61/27/06/859612706.db2.gz RILLMJZLBMCKHO-KGLIPLIRSA-N -1 3 381.432 3.543 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c([O-])c1 ZINC000031287997 859626245 /nfs/dbraw/zinc/62/62/45/859626245.db2.gz JDJUVVDMTVHJAR-UHFFFAOYSA-N -1 3 394.393 3.557 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506907 859635153 /nfs/dbraw/zinc/63/51/53/859635153.db2.gz HWQPPWMRJRDHBJ-IKGGRYGDSA-N -1 3 383.492 3.526 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)c1[O-] ZINC000597654878 859705386 /nfs/dbraw/zinc/70/53/86/859705386.db2.gz UTGHYNUEPIDTMW-UHFFFAOYSA-N -1 3 385.416 3.568 20 0 GHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000012984472 859713575 /nfs/dbraw/zinc/71/35/75/859713575.db2.gz WHQPFACCTUEODA-GFCCVEGCSA-N -1 3 394.301 3.638 20 0 GHADHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccccn3)no2)sc2c1CCCC2 ZINC000474270709 859738751 /nfs/dbraw/zinc/73/87/51/859738751.db2.gz MYJDQEWIMYSWIV-UHFFFAOYSA-N -1 3 383.429 3.716 20 0 GHADHM O=C(N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000503596610 859777118 /nfs/dbraw/zinc/77/71/18/859777118.db2.gz SJAHXCPLIBQQNV-UNMCSNQZSA-N -1 3 399.450 3.991 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000765227067 859855912 /nfs/dbraw/zinc/85/59/12/859855912.db2.gz INSPQKXVCIHADX-PIGZYNQJSA-N -1 3 395.427 3.810 20 0 GHADHM Cc1cc(C)c(C[C@@H](C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)C(F)(F)F)c(C)c1 ZINC000602198106 859858962 /nfs/dbraw/zinc/85/89/62/859858962.db2.gz ZGEABQYYJZWATC-INIZCTEOSA-N -1 3 393.409 3.679 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000668323842 859869482 /nfs/dbraw/zinc/86/94/82/859869482.db2.gz CUQFALCTBRBVQW-NSHDSACASA-N -1 3 390.427 3.986 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000484184112 859870218 /nfs/dbraw/zinc/87/02/18/859870218.db2.gz BODLEOQSYRSWCW-HNNXBMFYSA-N -1 3 383.398 3.523 20 0 GHADHM COc1ccc(-c2nc(C(=O)[N-]c3sccc3S(C)(=O)=O)cs2)cc1 ZINC000118635407 859885511 /nfs/dbraw/zinc/88/55/11/859885511.db2.gz IFRJEHOHKYSKFG-UHFFFAOYSA-N -1 3 394.499 3.536 20 0 GHADHM COc1cccc([C@@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000484238797 859906782 /nfs/dbraw/zinc/90/67/82/859906782.db2.gz AECJBSAKOFJZEA-SFHVURJKSA-N -1 3 384.382 3.792 20 0 GHADHM CCC(CC)CS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000163600377 859958279 /nfs/dbraw/zinc/95/82/79/859958279.db2.gz GCQZFUYPIFISJK-INIZCTEOSA-N -1 3 399.557 3.826 20 0 GHADHM CC(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440946566 859977011 /nfs/dbraw/zinc/97/70/11/859977011.db2.gz GYVFJSNOWKIBKH-HNNXBMFYSA-N -1 3 399.497 3.529 20 0 GHADHM [O-]c1ccc(F)c(CN2CCn3c(Cc4ccccc4Cl)nnc3C2)c1F ZINC000895823682 859986055 /nfs/dbraw/zinc/98/60/55/859986055.db2.gz XXBQOCHMZXMYEP-UHFFFAOYSA-N -1 3 390.821 3.522 20 0 GHADHM O=C([O-])[C@@H](CCc1ccccc1)NCc1ncc(Br)cc1Cl ZINC000903998473 860009454 /nfs/dbraw/zinc/00/94/54/860009454.db2.gz RKBOPSZPOGTEEE-CQSZACIVSA-N -1 3 383.673 3.673 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H]1CCCC[C@H]1C ZINC000727319681 860045141 /nfs/dbraw/zinc/04/51/41/860045141.db2.gz APNHAOGECAMMLL-RHSMWYFYSA-N -1 3 398.544 3.943 20 0 GHADHM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)cc1 ZINC000727354110 860050753 /nfs/dbraw/zinc/05/07/53/860050753.db2.gz ZRKIWNBVMMMUGK-QXMHVHEDSA-N -1 3 385.894 3.546 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCCc1ccc(Cl)s1 ZINC000640293521 881497273 /nfs/dbraw/zinc/49/72/73/881497273.db2.gz YUPFUWZLSGOKCA-UHFFFAOYSA-N -1 3 387.214 3.600 20 0 GHADHM CCn1c(CN[C@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)nc2ccccc21 ZINC000904062638 860083739 /nfs/dbraw/zinc/08/37/39/860083739.db2.gz PZSOFIMZRPZVDR-ZDUSSCGKSA-N -1 3 391.393 3.649 20 0 GHADHM COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CCC(=O)N2C)cc1 ZINC000115710457 860086359 /nfs/dbraw/zinc/08/63/59/860086359.db2.gz IRPWTFZKWZMQEY-DNVCBOLYSA-N -1 3 388.851 3.602 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@H]1CCO[C@](C)(C(=O)[O-])C1 ZINC000904069178 860119403 /nfs/dbraw/zinc/11/94/03/860119403.db2.gz JCNJUTMDPNNBAS-YWZLYKJASA-N -1 3 391.899 3.563 20 0 GHADHM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000525928538 860135745 /nfs/dbraw/zinc/13/57/45/860135745.db2.gz XDOUVHFKZIFGPZ-NQIIRXRSSA-N -1 3 394.858 3.901 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(N2CCOCC2)c1 ZINC000527176105 860170530 /nfs/dbraw/zinc/17/05/30/860170530.db2.gz HJYXMBIWXSAHEN-UHFFFAOYSA-N -1 3 376.456 3.620 20 0 GHADHM O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc([O-])c2ccccc2c1 ZINC000527179091 860170995 /nfs/dbraw/zinc/17/09/95/860170995.db2.gz UQORDEMMQZWRSM-ZDUSSCGKSA-N -1 3 389.373 3.544 20 0 GHADHM O=C(CCC1CCCC1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471700313 860172904 /nfs/dbraw/zinc/17/29/04/860172904.db2.gz JQFDKBCUCJPNKM-UHFFFAOYSA-N -1 3 380.488 3.800 20 0 GHADHM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000527467940 860181557 /nfs/dbraw/zinc/18/15/57/860181557.db2.gz FLECMLQCVZNIFQ-GOSISDBHSA-N -1 3 380.831 3.734 20 0 GHADHM COc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c(OC)c1OC ZINC000727721615 860202292 /nfs/dbraw/zinc/20/22/92/860202292.db2.gz KTUPYWJFCPXNDB-ZHACJKMWSA-N -1 3 383.853 3.778 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCC4(CC3)OCc3ccccc34)o2)CC1 ZINC000904195439 860223776 /nfs/dbraw/zinc/22/37/76/860223776.db2.gz OEHBYIYFHOXLFX-UHFFFAOYSA-N -1 3 396.487 3.602 20 0 GHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602762019 860249277 /nfs/dbraw/zinc/24/92/77/860249277.db2.gz LOKUAVIHPSJTNP-MRXNPFEDSA-N -1 3 377.282 3.941 20 0 GHADHM COc1cc(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000484739434 860300491 /nfs/dbraw/zinc/30/04/91/860300491.db2.gz RRKTVONTZVJXIV-MRXNPFEDSA-N -1 3 383.366 3.703 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000474544072 860329646 /nfs/dbraw/zinc/32/96/46/860329646.db2.gz XWSJZTAMOJIEAJ-CQSZACIVSA-N -1 3 393.256 3.993 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000598533226 860380536 /nfs/dbraw/zinc/38/05/36/860380536.db2.gz OFJNXHCWNGBIEI-UHFFFAOYSA-N -1 3 383.351 3.794 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([O-])c1 ZINC000024229491 860397251 /nfs/dbraw/zinc/39/72/51/860397251.db2.gz ZACIMTPJAVGODY-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000054223296 860432039 /nfs/dbraw/zinc/43/20/39/860432039.db2.gz GCGQFLNKWBLLNC-CJNGLKHVSA-N -1 3 394.500 3.563 20 0 GHADHM COc1cc(C(=O)/C=C\c2cc3c(cc2Br)OCO3)ccc1[O-] ZINC000213714094 860459405 /nfs/dbraw/zinc/45/94/05/860459405.db2.gz OALGEPAKTHBANM-RQOWECAXSA-N -1 3 377.190 3.788 20 0 GHADHM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000054294551 860479852 /nfs/dbraw/zinc/47/98/52/860479852.db2.gz HWKZJDBKLIVFQF-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(OCc2ccccn2)c1 ZINC000436662456 860545296 /nfs/dbraw/zinc/54/52/96/860545296.db2.gz CWWKVINMBOFBLG-AWEZNQCLSA-N -1 3 392.411 3.586 20 0 GHADHM O=C(Nc1ccccc1)NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471852583 860549527 /nfs/dbraw/zinc/54/95/27/860549527.db2.gz WQAVVHRQIQBYHA-UHFFFAOYSA-N -1 3 389.455 3.972 20 0 GHADHM Cc1c([O-])ccc2c(CSc3nncn3CCc3cccs3)cc(=O)oc12 ZINC000011106866 881552450 /nfs/dbraw/zinc/55/24/50/881552450.db2.gz FOVMFAZFULNUIN-UHFFFAOYSA-N -1 3 399.497 3.995 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc2C1 ZINC000026843661 860601121 /nfs/dbraw/zinc/60/11/21/860601121.db2.gz SQCHDFPLTYZYEO-HNNXBMFYSA-N -1 3 384.954 3.517 20 0 GHADHM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000920040010 881559944 /nfs/dbraw/zinc/55/99/44/881559944.db2.gz MXAMLQGTQQKGSV-QRQLOZEOSA-N -1 3 386.536 3.966 20 0 GHADHM O=C(Nc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1)C1CCCCC1 ZINC000175018575 860840040 /nfs/dbraw/zinc/84/00/40/860840040.db2.gz NQPLFRHIKYIEOL-SFHVURJKSA-N -1 3 380.510 3.516 20 0 GHADHM O=C(CCc1nc(-c2ccsc2)no1)Nc1cc(Br)ccc1[O-] ZINC000176431351 860872928 /nfs/dbraw/zinc/87/29/28/860872928.db2.gz ZIUHEJGTMGKLKK-UHFFFAOYSA-N -1 3 394.250 3.838 20 0 GHADHM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000014099680 860875818 /nfs/dbraw/zinc/87/58/18/860875818.db2.gz VLKFYHAJUNYMRY-UHFFFAOYSA-N -1 3 399.843 3.959 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176439163 860876288 /nfs/dbraw/zinc/87/62/88/860876288.db2.gz GUEJNEQSCHSZAU-LLVKDONJSA-N -1 3 378.222 3.763 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3OCC(C)C)c2)n1 ZINC000102992413 860887515 /nfs/dbraw/zinc/88/75/15/860887515.db2.gz VJVXWMLCBSAVBL-UHFFFAOYSA-N -1 3 392.459 3.681 20 0 GHADHM CC(C)C(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000192632922 860892257 /nfs/dbraw/zinc/89/22/57/860892257.db2.gz AFXQQIMTQAJEMN-UHFFFAOYSA-N -1 3 379.298 3.949 20 0 GHADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000494368725 881597667 /nfs/dbraw/zinc/59/76/67/881597667.db2.gz MTXZKANRUOUNBL-MRVPVSSYSA-N -1 3 392.212 3.988 20 0 GHADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)N(C)C)cc1 ZINC000555477471 861010664 /nfs/dbraw/zinc/01/06/64/861010664.db2.gz AHNFZRMWTZXTQI-KRWDZBQOSA-N -1 3 390.530 3.736 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364068 861029534 /nfs/dbraw/zinc/02/95/34/861029534.db2.gz BHGPJPDJTDUESV-SNVBAGLBSA-N -1 3 396.212 3.786 20 0 GHADHM CC(C)[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCC[C@@H](C)C1 ZINC000730363898 861054573 /nfs/dbraw/zinc/05/45/73/861054573.db2.gz GOROERSXGGNVGC-WBMJQRKESA-N -1 3 398.297 3.595 20 0 GHADHM CCn1c(C)cc(C(=O)COC(=O)c2cccc(Br)c2[O-])c1C ZINC000730365650 861075460 /nfs/dbraw/zinc/07/54/60/861075460.db2.gz WOABVRBRCVUPTB-UHFFFAOYSA-N -1 3 380.238 3.633 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364459 861075528 /nfs/dbraw/zinc/07/55/28/861075528.db2.gz GHXOASDPBHCVSM-LBPRGKRZSA-N -1 3 392.249 3.956 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730366843 861076811 /nfs/dbraw/zinc/07/68/11/861076811.db2.gz XCGQOVRLIUDXJG-UHFFFAOYSA-N -1 3 398.640 3.912 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3)cc(Cl)c2O1 ZINC000605494493 863113792 /nfs/dbraw/zinc/11/37/92/863113792.db2.gz RQWVJRAURRHFQI-LBPRGKRZSA-N -1 3 389.864 3.650 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC000605496375 863115534 /nfs/dbraw/zinc/11/55/34/863115534.db2.gz NTKHOGCOCIEPOB-SECBINFHSA-N -1 3 398.843 3.562 20 0 GHADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1nnc2ccccc2c1[O-] ZINC000733807465 863174077 /nfs/dbraw/zinc/17/40/77/863174077.db2.gz WNLKLTBWEHAXKP-IBGZPJMESA-N -1 3 377.444 3.550 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1 ZINC000522755792 863204347 /nfs/dbraw/zinc/20/43/47/863204347.db2.gz ARCNBTURLWQRQQ-CQSZACIVSA-N -1 3 378.432 3.603 20 0 GHADHM COCc1ncsc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000792740078 881638984 /nfs/dbraw/zinc/63/89/84/881638984.db2.gz BMLVCMQQJPIYRG-QMMMGPOBSA-N -1 3 379.463 3.535 20 0 GHADHM COc1ccc(N[C@H]2CCC[C@H](c3ncccc3C)C2)cc1[N-]S(C)(=O)=O ZINC000281707130 863333810 /nfs/dbraw/zinc/33/38/10/863333810.db2.gz TWGFRHAJMLOISD-HOTGVXAUSA-N -1 3 389.521 3.908 20 0 GHADHM COc1cccc2c1CCN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C2 ZINC000182708394 863335407 /nfs/dbraw/zinc/33/54/07/863335407.db2.gz MFIZOLYMMXUBBK-UHFFFAOYSA-N -1 3 393.468 3.812 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1CC ZINC000160198112 863404742 /nfs/dbraw/zinc/40/47/42/863404742.db2.gz SWPDJEDOHVPPLS-DEOSSOPVSA-N -1 3 379.547 3.799 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000281878923 863447318 /nfs/dbraw/zinc/44/73/18/863447318.db2.gz AFVWXQQMOJSPKP-UHFFFAOYSA-N -1 3 395.438 3.530 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1OCC(F)(F)F ZINC000606343457 863524799 /nfs/dbraw/zinc/52/47/99/863524799.db2.gz CKLFQNVCWDCOJH-UHFFFAOYSA-N -1 3 387.379 3.767 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1C ZINC000522882746 863646830 /nfs/dbraw/zinc/64/68/30/863646830.db2.gz SAWRHBLYMUJJQP-UHFFFAOYSA-N -1 3 389.452 3.828 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606472903 863654636 /nfs/dbraw/zinc/65/46/36/863654636.db2.gz FDEPBYQIIVBDLV-YOEHRIQHSA-N -1 3 397.541 3.889 20 0 GHADHM COc1ccc(Cn2ccc(=NC(=O)c3cc4cc(Cl)sc4[n-]3)[nH]2)cc1 ZINC000487463078 863730597 /nfs/dbraw/zinc/73/05/97/863730597.db2.gz DSNIMTZNVOMPKN-UHFFFAOYSA-N -1 3 386.864 3.810 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000532289314 881690744 /nfs/dbraw/zinc/69/07/44/881690744.db2.gz XDWHEHJUOSHGPQ-GOSISDBHSA-N -1 3 381.407 3.762 20 0 GHADHM O=C([N-][C@@H]1CCCN(c2ccccc2)C1=O)C(F)(F)c1cccc(Cl)c1 ZINC000733947250 863886990 /nfs/dbraw/zinc/88/69/90/863886990.db2.gz VXFKKZJNLGCDDZ-MRXNPFEDSA-N -1 3 378.806 3.744 20 0 GHADHM C[C@](O)(C[N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000734021688 863929355 /nfs/dbraw/zinc/92/93/55/863929355.db2.gz AKBJGCWJGXJOQH-INIZCTEOSA-N -1 3 375.749 3.734 20 0 GHADHM O=C(OCCc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000734027286 863938940 /nfs/dbraw/zinc/93/89/40/863938940.db2.gz QFXNRXYJHKEAKR-OAQYLSRUSA-N -1 3 389.451 3.936 20 0 GHADHM CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621300576 864076768 /nfs/dbraw/zinc/07/67/68/864076768.db2.gz RBLWUDRBNRNEBL-UHFFFAOYSA-N -1 3 394.393 3.520 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2csc(-c3ccccc3)n2)[nH][n-]1 ZINC000621530567 864229017 /nfs/dbraw/zinc/22/90/17/864229017.db2.gz VXUDUINXNIMGLK-UHFFFAOYSA-N -1 3 376.441 3.883 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000898648388 864375090 /nfs/dbraw/zinc/37/50/90/864375090.db2.gz DFBNYKFIHKVJKY-KRWDZBQOSA-N -1 3 379.435 3.813 20 0 GHADHM CCCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000734676912 864378277 /nfs/dbraw/zinc/37/82/77/864378277.db2.gz DPQXDXHWWGPLFP-LJQANCHMSA-N -1 3 389.540 3.855 20 0 GHADHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000184414076 864459073 /nfs/dbraw/zinc/45/90/73/864459073.db2.gz PGCYYHAVXXDVOO-UHFFFAOYSA-N -1 3 384.994 3.589 20 0 GHADHM Cc1ccc(S[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c(C)c1 ZINC000898733978 864561042 /nfs/dbraw/zinc/56/10/42/864561042.db2.gz KAZUFJYEXHTKSC-AZUAARDMSA-N -1 3 395.528 3.765 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2C)cc1Cl ZINC000104736680 864588196 /nfs/dbraw/zinc/58/81/96/864588196.db2.gz RPDCZQBOAOIHAX-UHFFFAOYSA-N -1 3 384.860 3.533 20 0 GHADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000607637222 864609097 /nfs/dbraw/zinc/60/90/97/864609097.db2.gz NPHXXCXDIFFMLH-UHFFFAOYSA-N -1 3 390.361 3.640 20 0 GHADHM O=C(C[C@H]1CCC2(CCOCC2)CO1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000897145580 864652174 /nfs/dbraw/zinc/65/21/74/864652174.db2.gz IHYVSCUQAPGJNT-MRXNPFEDSA-N -1 3 387.398 3.619 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000165464817 864675343 /nfs/dbraw/zinc/67/53/43/864675343.db2.gz DPHOIYWLRBPJFX-HIFRSBDPSA-N -1 3 379.229 3.649 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(C)cs1 ZINC000173374163 864689634 /nfs/dbraw/zinc/68/96/34/864689634.db2.gz OUSXMVHRHGWMIF-CYBMUJFWSA-N -1 3 380.322 3.757 20 0 GHADHM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000735268479 864692752 /nfs/dbraw/zinc/69/27/52/864692752.db2.gz GCZWSTNVEUBZCD-UHFFFAOYSA-N -1 3 388.489 3.564 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)OC)cc2)cc1 ZINC000735268486 864693080 /nfs/dbraw/zinc/69/30/80/864693080.db2.gz GQONQFRHMDRORU-UHFFFAOYSA-N -1 3 376.478 3.638 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000622013956 864693969 /nfs/dbraw/zinc/69/39/69/864693969.db2.gz XVIUQGGSXLOQAM-ZDUSSCGKSA-N -1 3 393.409 3.964 20 0 GHADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622032272 864716551 /nfs/dbraw/zinc/71/65/51/864716551.db2.gz DSGOOYXXONOADG-CABCVRRESA-N -1 3 377.366 3.605 20 0 GHADHM O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622068467 864738535 /nfs/dbraw/zinc/73/85/35/864738535.db2.gz OBHKCDZQNPYSRZ-UHFFFAOYSA-N -1 3 378.272 3.797 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000665615024 864856844 /nfs/dbraw/zinc/85/68/44/864856844.db2.gz YLOKERGFVILPAR-UHFFFAOYSA-N -1 3 383.473 3.647 20 0 GHADHM O=C(NCCNc1ncc(Cl)cc1Cl)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622310773 864916836 /nfs/dbraw/zinc/91/68/36/864916836.db2.gz WPLFLFXAWUNOAA-UHFFFAOYSA-N -1 3 394.180 3.955 20 0 GHADHM [O-]c1cccnc1CNc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000480590902 864922824 /nfs/dbraw/zinc/92/28/24/864922824.db2.gz RCYDMKKTSMQGDO-UHFFFAOYSA-N -1 3 390.472 3.740 20 0 GHADHM COc1cc2c(cc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1)NC(=O)CC2 ZINC000622514858 865047801 /nfs/dbraw/zinc/04/78/01/865047801.db2.gz CNKWMOHBGNGMKV-UHFFFAOYSA-N -1 3 380.322 3.557 20 0 GHADHM O=C(Nc1c[nH]cc(Br)c1=O)c1cc([O-])ccc1C(F)(F)F ZINC000189360252 881830784 /nfs/dbraw/zinc/83/07/84/881830784.db2.gz WPHHNULURJNQNI-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CC(C)(C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1csc(-c2cccs2)n1 ZINC000827654573 865058066 /nfs/dbraw/zinc/05/80/66/865058066.db2.gz SVGUZPUCZDJSOV-LLVKDONJSA-N -1 3 388.518 3.594 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736193963 865152576 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Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C3CC3)C3CCC3)cs2)c1 ZINC000457235529 867920921 /nfs/dbraw/zinc/92/09/21/867920921.db2.gz IHHDKLCLCGKWAD-LJQANCHMSA-N -1 3 399.516 3.647 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H](C1CC1)C1CCC1 ZINC000457250721 867925389 /nfs/dbraw/zinc/92/53/89/867925389.db2.gz PZRQRPPWEWQRCJ-FYYLOGMGSA-N -1 3 392.499 3.948 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(Cc3cccc(Cl)c3)s2)c2ccccc21 ZINC000743248114 868014850 /nfs/dbraw/zinc/01/48/50/868014850.db2.gz YIRZEVRRCMUUOQ-GDNBJRDFSA-N -1 3 396.859 3.505 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@](C)(O)C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000479561791 868063298 /nfs/dbraw/zinc/06/32/98/868063298.db2.gz VZXKQRUJXBOYEI-NRFANRHFSA-N -1 3 384.480 3.610 20 0 GHADHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000133298747 882151904 /nfs/dbraw/zinc/15/19/04/882151904.db2.gz DCMNXGYWXKUIQY-QGZVFWFLSA-N -1 3 376.250 3.677 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000535096375 868158786 /nfs/dbraw/zinc/15/87/86/868158786.db2.gz YSVZRDWFVVZZET-KRWDZBQOSA-N -1 3 398.850 3.858 20 0 GHADHM COCCn1c2ccc(Cl)cc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000155900779 868173702 /nfs/dbraw/zinc/17/37/02/868173702.db2.gz XQGJYPMCUXYEEG-NSHDSACASA-N -1 3 378.885 3.993 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC3=N[C@H](C)CS3)nc(=O)c2c1C ZINC000766301943 868231510 /nfs/dbraw/zinc/23/15/10/868231510.db2.gz UCIAPOJWLYVFGN-VXNVDRBHSA-N -1 3 397.547 3.755 20 0 GHADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000479658381 868320564 /nfs/dbraw/zinc/32/05/64/868320564.db2.gz HPHXZBOIEMLONZ-UHFFFAOYSA-N -1 3 387.408 3.667 20 0 GHADHM COCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CC[C@H](C)C1 ZINC000479688827 868340051 /nfs/dbraw/zinc/34/00/51/868340051.db2.gz QEDREUNZNGWOCX-JSGCOSHPSA-N -1 3 385.302 3.501 20 0 GHADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000156730777 868448699 /nfs/dbraw/zinc/44/86/99/868448699.db2.gz XZVIQEFCBVEFLQ-SECBINFHSA-N -1 3 393.408 3.593 20 0 GHADHM Cc1ccc(F)c(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000445452186 868483814 /nfs/dbraw/zinc/48/38/14/868483814.db2.gz AKJFKAZRLHZULL-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM CSC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000553935178 868497090 /nfs/dbraw/zinc/49/70/90/868497090.db2.gz UHCRQPLFKVMLSQ-NSHDSACASA-N -1 3 395.322 3.506 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000479855873 868606399 /nfs/dbraw/zinc/60/63/99/868606399.db2.gz SNTVGDHTHUPNJY-LSDHHAIUSA-N -1 3 388.349 3.534 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nc(-c3ccc(Cl)s3)no2)ccc1F ZINC000445560044 868627596 /nfs/dbraw/zinc/62/75/96/868627596.db2.gz WGGICVBKJOZHMS-UHFFFAOYSA-N -1 3 399.856 3.698 20 0 GHADHM CC1=NN(c2ccc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)CC1 ZINC000744217846 868672638 /nfs/dbraw/zinc/67/26/38/868672638.db2.gz RIDLDNPZVWWZBK-UHFFFAOYSA-N -1 3 388.427 3.963 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](c3ccccc3)n3cccn3)c2)n1 ZINC000744219791 868675324 /nfs/dbraw/zinc/67/53/24/868675324.db2.gz VVVCGYNBTLZCFJ-HXUWFJFHSA-N -1 3 386.411 3.549 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000479920551 868700090 /nfs/dbraw/zinc/70/00/90/868700090.db2.gz GTZBRXFHKILHHR-QGZVFWFLSA-N -1 3 391.464 3.822 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Br)cc1Cl ZINC000479977222 868801383 /nfs/dbraw/zinc/80/13/83/868801383.db2.gz BSPWPWFFNWOITR-UHFFFAOYSA-N -1 3 398.570 3.561 20 0 GHADHM C[C@H]1CCc2c(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)csc2C1 ZINC000648433805 882229573 /nfs/dbraw/zinc/22/95/73/882229573.db2.gz PFYIRENXNHKRJO-QMMMGPOBSA-N -1 3 377.819 3.959 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c(Cl)cccc3OC)c2)n1 ZINC000157978608 868819475 /nfs/dbraw/zinc/81/94/75/868819475.db2.gz JDVXQFOQOABSTC-UHFFFAOYSA-N -1 3 397.862 3.843 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C)o1 ZINC000479975042 868830241 /nfs/dbraw/zinc/83/02/41/868830241.db2.gz ANTAACSFWDSGIR-GFCCVEGCSA-N -1 3 378.277 3.951 20 0 GHADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000445705182 868879136 /nfs/dbraw/zinc/87/91/36/868879136.db2.gz QMWWGYZBKDLHCR-LLVKDONJSA-N -1 3 392.212 3.844 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1cccc(Br)c1)CC1CC1)c1ccco1 ZINC000445734806 868936789 /nfs/dbraw/zinc/93/67/89/868936789.db2.gz RTMCNCDNASLNSS-OAHLLOKOSA-N -1 3 384.295 3.732 20 0 GHADHM O=c1[n-]c(CN(C[C@H]2CCCO2)[C@H]2CCSC2)nc2c3ccccc3oc21 ZINC000535554854 868977598 /nfs/dbraw/zinc/97/75/98/868977598.db2.gz NLTKPOWDXRGTCA-UONOGXRCSA-N -1 3 385.489 3.568 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000445808991 869011059 /nfs/dbraw/zinc/01/10/59/869011059.db2.gz FDYDMMNQHXUQAK-AWEZNQCLSA-N -1 3 395.459 3.994 20 0 GHADHM CCc1cnc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000744736209 869057401 /nfs/dbraw/zinc/05/74/01/869057401.db2.gz GSWZOZUKBJAAHF-IBGZPJMESA-N -1 3 394.427 3.547 20 0 GHADHM C[C@@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(F)c(Br)c1 ZINC000462320904 869218861 /nfs/dbraw/zinc/21/88/61/869218861.db2.gz TVRWEKJWYGWSFC-ZUZCIYMTSA-N -1 3 396.260 3.717 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000181955254 869250852 /nfs/dbraw/zinc/25/08/52/869250852.db2.gz FNIOIFLBSDZPSX-WIYYLYMNSA-N -1 3 392.499 3.630 20 0 GHADHM O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857469793 882282889 /nfs/dbraw/zinc/28/28/89/882282889.db2.gz YJEZMZSQSZBEFH-CYBMUJFWSA-N -1 3 377.721 3.667 20 0 GHADHM CC(C)c1ccc(C2(CNC(=O)CNC(=O)c3ccc([O-])cc3)CCCC2)cc1 ZINC000524676005 869412134 /nfs/dbraw/zinc/41/21/34/869412134.db2.gz BEANIEREIHEANL-UHFFFAOYSA-N -1 3 394.515 3.874 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(Cl)c2)s1 ZINC000462477571 869503059 /nfs/dbraw/zinc/50/30/59/869503059.db2.gz ZAQJGTDDRURRSH-UHFFFAOYSA-N -1 3 380.716 3.951 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092283638 882310227 /nfs/dbraw/zinc/31/02/27/882310227.db2.gz DUXHQBMIUTXQBV-UHFFFAOYSA-N -1 3 376.403 3.561 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000745466024 869590404 /nfs/dbraw/zinc/59/04/04/869590404.db2.gz JQUAVFPTYCAKMY-UHFFFAOYSA-N -1 3 396.410 3.605 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000745466024 869590412 /nfs/dbraw/zinc/59/04/12/869590412.db2.gz JQUAVFPTYCAKMY-UHFFFAOYSA-N -1 3 396.410 3.605 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccnc(F)c3)cc2)cc1 ZINC000745490950 869590427 /nfs/dbraw/zinc/59/04/27/869590427.db2.gz BAOQCHHDZWBWPJ-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccccc2Br)cc1[O-] ZINC000745650165 869719862 /nfs/dbraw/zinc/71/98/62/869719862.db2.gz LWKCWZGMCINXEW-UHFFFAOYSA-N -1 3 380.194 3.690 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(Br)cc2)cc1[O-] ZINC000745654708 869723501 /nfs/dbraw/zinc/72/35/01/869723501.db2.gz WSRQXAXCFSNXAN-UHFFFAOYSA-N -1 3 380.194 3.690 20 0 GHADHM Cc1ccc(-c2noc(CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)n2)cc1 ZINC000504981511 869725690 /nfs/dbraw/zinc/72/56/90/869725690.db2.gz UFYMMISWBXSWJQ-UHFFFAOYSA-N -1 3 387.461 3.774 20 0 GHADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000462705344 869934365 /nfs/dbraw/zinc/93/43/65/869934365.db2.gz UZCDVRKOHRKDJR-SECBINFHSA-N -1 3 378.313 3.712 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1 ZINC000060198703 882372772 /nfs/dbraw/zinc/37/27/72/882372772.db2.gz ODHKZSKOHPLMLX-AWEZNQCLSA-N -1 3 391.320 3.948 20 0 GHADHM CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809946 882376416 /nfs/dbraw/zinc/37/64/16/882376416.db2.gz ZGEUXVBFYSAODI-UHFFFAOYSA-N -1 3 393.629 3.929 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000920799726 882382459 /nfs/dbraw/zinc/38/24/59/882382459.db2.gz BZKCXQVTRVKLOF-SECBINFHSA-N -1 3 383.217 3.548 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(Cl)c(C)cc3F)c2)o1 ZINC001192273106 870255460 /nfs/dbraw/zinc/25/54/60/870255460.db2.gz IMGJTOJNUDIZAP-UHFFFAOYSA-N -1 3 381.816 3.947 20 0 GHADHM CO[C@@H](CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2[O-])CC1)c1ccccc1 ZINC001192322520 870287314 /nfs/dbraw/zinc/28/73/14/870287314.db2.gz BWPIFQFCEKQUHU-QFIPXVFZSA-N -1 3 396.531 3.835 20 0 GHADHM COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192336164 870297947 /nfs/dbraw/zinc/29/79/47/870297947.db2.gz SCSDVCCJDPRIQX-ZDUSSCGKSA-N -1 3 382.460 3.554 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3C)cc2)co1 ZINC000190378290 870327555 /nfs/dbraw/zinc/32/75/55/870327555.db2.gz AMUPKXAIJSONSA-UHFFFAOYSA-N -1 3 394.456 3.945 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3ccc(F)cc3)C2)cc1-c1nnn[n-]1 ZINC000825552765 882399156 /nfs/dbraw/zinc/39/91/56/882399156.db2.gz DQZMKKBLNHWOJP-UHFFFAOYSA-N -1 3 396.426 3.932 20 0 GHADHM CCOC(=O)Nc1ccc(NC2CC(c3ccc(F)cc3)C2)cc1-c1nn[n-]n1 ZINC000825552765 882399176 /nfs/dbraw/zinc/39/91/76/882399176.db2.gz DQZMKKBLNHWOJP-UHFFFAOYSA-N -1 3 396.426 3.932 20 0 GHADHM Cc1cccc(COc2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)c1 ZINC000525367846 870515636 /nfs/dbraw/zinc/51/56/36/870515636.db2.gz CMMOSVXMEFRLKH-HXUWFJFHSA-N -1 3 375.490 3.885 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000617650151 870651260 /nfs/dbraw/zinc/65/12/60/870651260.db2.gz QONNRWVUXIRWQQ-MRXNPFEDSA-N -1 3 377.378 3.860 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001192760116 870676590 /nfs/dbraw/zinc/67/65/90/870676590.db2.gz BSXPSVZBIFITHR-CQSZACIVSA-N -1 3 396.365 3.707 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)c(OC)c1 ZINC000446965668 870783545 /nfs/dbraw/zinc/78/35/45/870783545.db2.gz ISUXZMPRPPDNIT-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM CCOC(=O)CN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H](C)c1ccccc1 ZINC001192963393 870818183 /nfs/dbraw/zinc/81/81/83/870818183.db2.gz ALBBPZPLMMZXRD-KRWDZBQOSA-N -1 3 391.471 3.976 20 0 GHADHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)on1 ZINC001193022123 870851380 /nfs/dbraw/zinc/85/13/80/870851380.db2.gz AUMVEBKLPBHRSD-UHFFFAOYSA-N -1 3 392.864 3.791 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ncccc2c1 ZINC000525525860 870864906 /nfs/dbraw/zinc/86/49/06/870864906.db2.gz GTGUUQZOQNHRSU-GOSISDBHSA-N -1 3 384.457 3.593 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000447043697 870901655 /nfs/dbraw/zinc/90/16/55/870901655.db2.gz CUTSGUIZOITJEQ-LJQANCHMSA-N -1 3 377.485 3.630 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(-c3cc(F)c(F)c(F)c3)cc1)C2 ZINC001168940613 871026698 /nfs/dbraw/zinc/02/66/98/871026698.db2.gz ZNMBLLMKVSCVBQ-UHFFFAOYSA-N -1 3 385.345 3.731 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c(Cl)n1 ZINC001193767943 871302265 /nfs/dbraw/zinc/30/22/65/871302265.db2.gz GHDYCXNQGSOPBM-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1F ZINC001193805526 871318750 /nfs/dbraw/zinc/31/87/50/871318750.db2.gz UBRJLCHZVYODCD-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193833715 871333697 /nfs/dbraw/zinc/33/36/97/871333697.db2.gz GVVCPPXEETXWRM-UHFFFAOYSA-N -1 3 377.853 3.709 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(O)CC3)cc2)c2ccccc12 ZINC001193856252 871355520 /nfs/dbraw/zinc/35/55/20/871355520.db2.gz CIBXBFKSUNUKSL-UHFFFAOYSA-N -1 3 396.512 3.910 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1 ZINC000618184894 871401976 /nfs/dbraw/zinc/40/19/76/871401976.db2.gz IGMIBXMVUJGCCD-MRXNPFEDSA-N -1 3 397.475 3.983 20 0 GHADHM O=S(=O)(Cc1noc2ccccc12)[N-]c1ccc(F)c(OC(F)(F)F)c1 ZINC001194094597 871501973 /nfs/dbraw/zinc/50/19/73/871501973.db2.gz HWGDWSHBCVUVLB-UHFFFAOYSA-N -1 3 390.314 3.807 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(-c3cccs3)cc1)C(=O)N2 ZINC001194170909 871525643 /nfs/dbraw/zinc/52/56/43/871525643.db2.gz QKVKYIDGLYXHMX-SFHVURJKSA-N -1 3 384.482 3.695 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC34CCC(CC3)C4)n2)cc1F ZINC000462110370 871628440 /nfs/dbraw/zinc/62/84/40/871628440.db2.gz HTPUTQZWDRTAPP-VFPJAPOESA-N -1 3 393.484 3.745 20 0 GHADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)C2(C)CCCCCC2)c1 ZINC000181934902 871659220 /nfs/dbraw/zinc/65/92/20/871659220.db2.gz XGFZWAZAUFOUHJ-UHFFFAOYSA-N -1 3 383.286 3.579 20 0 GHADHM CCc1ccc(-c2nc(CS(=O)(=O)c3nnc(C(C)(C)C)[n-]3)cs2)cc1 ZINC000447482930 871673066 /nfs/dbraw/zinc/67/30/66/871673066.db2.gz SMUZBNBJENHORE-UHFFFAOYSA-N -1 3 390.534 3.762 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000122378980 882535937 /nfs/dbraw/zinc/53/59/37/882535937.db2.gz RTXMVHYXOBFGHU-QFIPXVFZSA-N -1 3 390.439 3.879 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1cccc2c(Cl)nccc21 ZINC001194455934 871696570 /nfs/dbraw/zinc/69/65/70/871696570.db2.gz XGHWGNQHQSHYJS-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000146293457 871704106 /nfs/dbraw/zinc/70/41/06/871704106.db2.gz ZSENDILEDJWQFV-RDTXWAMCSA-N -1 3 383.872 3.925 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)sc1Br ZINC000150209250 871713107 /nfs/dbraw/zinc/71/31/07/871713107.db2.gz NOQMXISTMZSSMJ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc2c(s1)CCCC2 ZINC001194563912 871763620 /nfs/dbraw/zinc/76/36/20/871763620.db2.gz CNEQTSNVJGAUPP-UHFFFAOYSA-N -1 3 391.345 3.948 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525966957 871816011 /nfs/dbraw/zinc/81/60/11/871816011.db2.gz HBOSWLWGANTTJR-MGPUTAFESA-N -1 3 377.444 3.756 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)ccc1-n1cccn1 ZINC000525988906 871871674 /nfs/dbraw/zinc/87/16/74/871871674.db2.gz MOLMDYFIGISHNO-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C(Nc1nccc2cc(Br)ccc21)c1cnc(C(F)(F)F)[n-]1 ZINC001194770711 871951646 /nfs/dbraw/zinc/95/16/46/871951646.db2.gz NXBUJVMUAXCNBC-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194864445 871996616 /nfs/dbraw/zinc/99/66/16/871996616.db2.gz MYJSVUYILGMHAU-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001194873662 872002206 /nfs/dbraw/zinc/00/22/06/872002206.db2.gz JQIXERYEOKAVGM-LBPRGKRZSA-N -1 3 376.863 3.563 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(OC2CCCCC2)cc1 ZINC000775624099 872065872 /nfs/dbraw/zinc/06/58/72/872065872.db2.gz RBDJPWNEPUFDDH-UHFFFAOYSA-N -1 3 383.374 3.857 20 0 GHADHM CC[C@](C)(NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CC1 ZINC000618959863 872174393 /nfs/dbraw/zinc/17/43/93/872174393.db2.gz FZJCYJAQHHYGLC-FQEVSTJZSA-N -1 3 387.505 3.647 20 0 GHADHM Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c([O-])c1 ZINC000101673733 872179596 /nfs/dbraw/zinc/17/95/96/872179596.db2.gz CQWLIKJIUDJHQF-KRWDZBQOSA-N -1 3 376.250 3.677 20 0 GHADHM C[C@@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001195118251 872181398 /nfs/dbraw/zinc/18/13/98/872181398.db2.gz SUSACNMDBXCVNX-NSHDSACASA-N -1 3 396.372 3.774 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001195195086 872248570 /nfs/dbraw/zinc/24/85/70/872248570.db2.gz IJCHQQNRMMTLIC-UHFFFAOYSA-N -1 3 395.419 3.825 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001195195086 872248586 /nfs/dbraw/zinc/24/85/86/872248586.db2.gz IJCHQQNRMMTLIC-UHFFFAOYSA-N -1 3 395.419 3.825 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463667145 872292941 /nfs/dbraw/zinc/29/29/41/872292941.db2.gz FZBVRQXJGQZEGA-UHFFFAOYSA-N -1 3 393.871 3.760 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447786091 872295165 /nfs/dbraw/zinc/29/51/65/872295165.db2.gz INZOPHZOOBOQMY-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1cc2occ(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c2cc1C ZINC000767179127 872325908 /nfs/dbraw/zinc/32/59/08/872325908.db2.gz PZZJDJPRUCUDQD-CQSZACIVSA-N -1 3 376.453 3.553 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1F)c1cc(Br)ccc1F ZINC001195464010 872406544 /nfs/dbraw/zinc/40/65/44/872406544.db2.gz MVGRZYGQZXAFPI-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCCN1CCN(c2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2Cl)CC1 ZINC000767327944 872428623 /nfs/dbraw/zinc/42/86/23/872428623.db2.gz MRZBELYTJWQIAD-UHFFFAOYSA-N -1 3 391.874 3.969 20 0 GHADHM CSCCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000794182845 882612624 /nfs/dbraw/zinc/61/26/24/882612624.db2.gz GJXSJALQKSXVOB-UHFFFAOYSA-N -1 3 388.320 3.749 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2ncccc2[O-])c(Br)c1 ZINC001195539198 872474996 /nfs/dbraw/zinc/47/49/96/872474996.db2.gz VGMCETRJROVBMT-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM COc1ccc(OC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000527045246 872528711 /nfs/dbraw/zinc/52/87/11/872528711.db2.gz HJAMPLJBHFINEO-UHFFFAOYSA-N -1 3 387.451 3.933 20 0 GHADHM CSc1[n-]nc(NC(=O)c2cc(C)ccc2-c2ccc(C)cc2)c1C(N)=O ZINC001195685854 872551114 /nfs/dbraw/zinc/55/11/14/872551114.db2.gz YECSGJUGEGMAGH-UHFFFAOYSA-N -1 3 380.473 3.767 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1cc(Cl)cc(Cl)c1 ZINC000121408019 872572413 /nfs/dbraw/zinc/57/24/13/872572413.db2.gz SNTYINNJRAQAKD-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM O=S(=O)(c1ccccc1CNCc1cccc(Cl)c1[O-])N1CCCCC1 ZINC000182680361 872689411 /nfs/dbraw/zinc/68/94/11/872689411.db2.gz LOXKAHBCVNMQCZ-UHFFFAOYSA-N -1 3 394.924 3.510 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccc(F)cc2F)cc1 ZINC001195831435 872700617 /nfs/dbraw/zinc/70/06/17/872700617.db2.gz FDFHJIGCTVVEKI-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccc(F)cc2F)cc1 ZINC001195831435 872700630 /nfs/dbraw/zinc/70/06/30/872700630.db2.gz FDFHJIGCTVVEKI-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000619528164 872712649 /nfs/dbraw/zinc/71/26/49/872712649.db2.gz BVRXSKJXIZZZBZ-LLVKDONJSA-N -1 3 394.301 3.638 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000122681688 882662537 /nfs/dbraw/zinc/66/25/37/882662537.db2.gz QGDILPITSBZPFO-UHFFFAOYSA-N -1 3 382.869 3.888 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448131357 872912223 /nfs/dbraw/zinc/91/22/23/872912223.db2.gz XDKCCZMHGHFTBI-UHFFFAOYSA-N -1 3 395.406 3.876 20 0 GHADHM Cc1nnc([C@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)o1 ZINC000619715009 872914115 /nfs/dbraw/zinc/91/41/15/872914115.db2.gz SUCOAUDEBQHKQM-QMMMGPOBSA-N -1 3 388.840 3.719 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC2(CCCC2)C1 ZINC000767980527 872989394 /nfs/dbraw/zinc/98/93/94/872989394.db2.gz PEIDASFAHPACRN-UHFFFAOYSA-N -1 3 375.266 3.697 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc(-c3ccccn3)s2)c(C(=O)OCC)[n-]1 ZINC000191964934 882686287 /nfs/dbraw/zinc/68/62/87/882686287.db2.gz PIQOLZUQMSTSFM-UHFFFAOYSA-N -1 3 399.476 3.700 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(I)c2)c2ccccc21 ZINC001196428664 873109272 /nfs/dbraw/zinc/10/92/72/873109272.db2.gz OPGOPQUADRPBHR-QLJPJBMISA-N -1 3 393.224 3.975 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C1CCC1)C(F)(F)F ZINC001196567486 873180323 /nfs/dbraw/zinc/18/03/23/873180323.db2.gz CPWIYHCYWUSKLV-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)C2CCC(F)CC2)c1 ZINC000619957743 873206281 /nfs/dbraw/zinc/20/62/81/873206281.db2.gz YNZMMXKPOWJMNL-LMWSTFAQSA-N -1 3 389.427 3.588 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000448376400 873287594 /nfs/dbraw/zinc/28/75/94/873287594.db2.gz PFDOMPOILHNAHN-INIZCTEOSA-N -1 3 390.399 3.638 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c1 ZINC001170445884 882707809 /nfs/dbraw/zinc/70/78/09/882707809.db2.gz ANWSNBOATOWRMM-GFCCVEGCSA-N -1 3 380.872 3.915 20 0 GHADHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)o1 ZINC000527584859 873320667 /nfs/dbraw/zinc/32/06/67/873320667.db2.gz RNHKLDJMKFPRKF-UHFFFAOYSA-N -1 3 384.476 3.760 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3csc(NC4CC4)n3)nc(=O)c2c1C ZINC000768657865 873479879 /nfs/dbraw/zinc/47/98/79/873479879.db2.gz PEPAWNJJJWDGLQ-QMMMGPOBSA-N -1 3 390.490 3.963 20 0 GHADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1n[nH]c(C2CC2)c1Br ZINC000448493243 873481584 /nfs/dbraw/zinc/48/15/84/873481584.db2.gz UJUBUYHCBPQIKF-UHFFFAOYSA-N -1 3 391.200 3.518 20 0 GHADHM CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cccc(Br)c1[O-] ZINC000768698195 873505272 /nfs/dbraw/zinc/50/52/72/873505272.db2.gz MTWOIAZXYYZGRV-OAHLLOKOSA-N -1 3 381.197 3.651 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)nc2NC(=O)OC(C)(C)C)n1 ZINC001197026795 873551552 /nfs/dbraw/zinc/55/15/52/873551552.db2.gz NGYHMLMIJWBMOV-UHFFFAOYSA-N -1 3 378.816 3.743 20 0 GHADHM O=C([N-]CC[C@H]1CN(CCCc2ccncc2)c2ccccc21)C(F)(F)F ZINC001197070627 873577493 /nfs/dbraw/zinc/57/74/93/873577493.db2.gz ZGGGYJXBSWQMDT-INIZCTEOSA-N -1 3 377.410 3.687 20 0 GHADHM CC[C@]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)(C(=O)OC)c1ccccc1 ZINC000768839003 873619533 /nfs/dbraw/zinc/61/95/33/873619533.db2.gz ZRRPXIDGGYSRCB-SYGIOELKSA-N -1 3 393.892 3.709 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2cncc(OCc3ccccc3)c2)c1 ZINC001197355065 873732940 /nfs/dbraw/zinc/73/29/40/873732940.db2.gz OUNAUPJRXHAGPU-UHFFFAOYSA-N -1 3 384.457 3.611 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2c(Cl)c(OC)ccc2C(C)=O)c1 ZINC001197383114 873755418 /nfs/dbraw/zinc/75/54/18/873755418.db2.gz ZLRXZSVYLVXQQC-UHFFFAOYSA-N -1 3 383.853 3.502 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)Cc2cccnc2)c(NC(=O)OC(C)(C)C)c1C ZINC001197465863 873821701 /nfs/dbraw/zinc/82/17/01/873821701.db2.gz RROUOANHGIAMSG-UHFFFAOYSA-N -1 3 391.493 3.987 20 0 GHADHM COc1cc(C)c([C@H](C)NC(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC000527964245 873841064 /nfs/dbraw/zinc/84/10/64/873841064.db2.gz GNTVEFFHYMLUAW-NSHDSACASA-N -1 3 394.265 3.971 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cs1 ZINC001197505350 873875239 /nfs/dbraw/zinc/87/52/39/873875239.db2.gz WAGAOAMMCHZQBY-UHFFFAOYSA-N -1 3 380.274 3.783 20 0 GHADHM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769309099 873955775 /nfs/dbraw/zinc/95/57/75/873955775.db2.gz BTIAFIZGBACIQW-INIZCTEOSA-N -1 3 384.517 3.553 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(F)c1 ZINC001197636431 873967260 /nfs/dbraw/zinc/96/72/60/873967260.db2.gz JMQKLKOICHOHOK-UHFFFAOYSA-N -1 3 389.807 3.737 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3ccccc3Br)c12 ZINC001197786648 874048397 /nfs/dbraw/zinc/04/83/97/874048397.db2.gz HAABPLSXYHGJKI-UHFFFAOYSA-N -1 3 391.250 3.612 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000769640041 874181965 /nfs/dbraw/zinc/18/19/65/874181965.db2.gz SSIADJLXOTVTNE-UHFFFAOYSA-N -1 3 378.222 3.741 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccccn1)C1CCC1 ZINC000528173835 874194407 /nfs/dbraw/zinc/19/44/07/874194407.db2.gz IHNKLEVCXXIJML-KRWDZBQOSA-N -1 3 390.281 3.890 20 0 GHADHM COc1ccc(-c2ncc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)s2)cc1 ZINC000464641326 874216616 /nfs/dbraw/zinc/21/66/16/874216616.db2.gz DDHBMLJQKLRUQX-UHFFFAOYSA-N -1 3 385.836 3.767 20 0 GHADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000769720721 874251841 /nfs/dbraw/zinc/25/18/41/874251841.db2.gz VKZNHQPUERWHNX-UHFFFAOYSA-N -1 3 382.460 3.840 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)cn1 ZINC001198333300 874357718 /nfs/dbraw/zinc/35/77/18/874357718.db2.gz ILXOXZQWNODRNJ-CYBMUJFWSA-N -1 3 398.328 3.991 20 0 GHADHM Cc1cc([C@@H](C)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)no1 ZINC000550940655 882858281 /nfs/dbraw/zinc/85/82/81/882858281.db2.gz UQJLIJYLGYRLPR-CQSZACIVSA-N -1 3 389.452 3.774 20 0 GHADHM Cc1cc([C@H](C)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)no1 ZINC000550940654 882859111 /nfs/dbraw/zinc/85/91/11/882859111.db2.gz UQJLIJYLGYRLPR-AWEZNQCLSA-N -1 3 389.452 3.774 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cc(Br)ccc1F ZINC000303009453 874791550 /nfs/dbraw/zinc/79/15/50/874791550.db2.gz JPTKDCUUABYPTJ-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775935078 874795649 /nfs/dbraw/zinc/79/56/49/874795649.db2.gz UDWNYBTWVYZCHZ-JTQLQIEISA-N -1 3 383.778 3.700 20 0 GHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)c(Br)cc1F ZINC000528634317 874823128 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COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1cccc(F)c1 ZINC001201800850 875868635 /nfs/dbraw/zinc/86/86/35/875868635.db2.gz HTOGIQCWSOXXSG-SFHVURJKSA-N -1 3 393.480 3.560 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1cccc(F)c1Br ZINC001201787972 875883877 /nfs/dbraw/zinc/88/38/77/875883877.db2.gz PPINSDCTPLVGJY-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM O=C(Nc1ccc([O-])c(I)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933938 875926278 /nfs/dbraw/zinc/92/62/78/875926278.db2.gz NBBWIESARGXNCP-GXTWGEPZSA-N -1 3 394.212 3.674 20 0 GHADHM CC[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000172952673 876038506 /nfs/dbraw/zinc/03/85/06/876038506.db2.gz BJURQRUKBJUQPX-MRVPVSSYSA-N -1 3 385.121 3.597 20 0 GHADHM Cc1csc([C@@H]2CCN(C(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)C2)n1 ZINC000913802401 876116686 /nfs/dbraw/zinc/11/66/86/876116686.db2.gz UFIFTUYPSAIZSU-LLVKDONJSA-N -1 3 394.522 3.885 20 0 GHADHM CCN1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450405054 876386102 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GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)Cc2cccc(C)c2)c2ccc(Cl)cc2)no1 ZINC000179989589 883043591 /nfs/dbraw/zinc/04/35/91/883043591.db2.gz IYJMGBMUKIQORE-KRWDZBQOSA-N -1 3 391.880 3.549 20 0 GHADHM Cn1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc2cc(C(F)(F)F)ccc21 ZINC000173747433 876606714 /nfs/dbraw/zinc/60/67/14/876606714.db2.gz UOFIRSBZNBAMHO-UHFFFAOYSA-N -1 3 377.248 3.586 20 0 GHADHM Cn1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc2cc(C(F)(F)F)ccc21 ZINC000173747433 876606720 /nfs/dbraw/zinc/60/67/20/876606720.db2.gz UOFIRSBZNBAMHO-UHFFFAOYSA-N -1 3 377.248 3.586 20 0 GHADHM O=C(CCc1cc(F)ccc1Br)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129640002 883061152 /nfs/dbraw/zinc/06/11/52/883061152.db2.gz WJWOQTTYGNLMKP-UHFFFAOYSA-N -1 3 394.244 3.534 20 0 GHADHM O=C(NCC[C@@H]1CC=CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000529866197 876767469 /nfs/dbraw/zinc/76/74/69/876767469.db2.gz GCWJTBFKSQIDRW-GFCCVEGCSA-N -1 3 375.266 3.767 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000786587571 876829880 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CON(CC(C)(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000804585995 883089576 /nfs/dbraw/zinc/08/95/76/883089576.db2.gz LTAWDJQWULMGDC-UHFFFAOYSA-N -1 3 394.468 3.676 20 0 GHADHM CCc1ccc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000787116883 877156821 /nfs/dbraw/zinc/15/68/21/877156821.db2.gz VWHIOZAKOUURBP-UHFFFAOYSA-N -1 3 376.497 3.863 20 0 GHADHM COCc1cccc(OCC2(CN3CCc4occc4[C@H]3C(=O)[O-])CCC2)c1 ZINC000530166211 877196097 /nfs/dbraw/zinc/19/60/97/877196097.db2.gz MCCSTFAAETXLIT-FQEVSTJZSA-N -1 3 385.460 3.659 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCCCF)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000451037296 877246279 /nfs/dbraw/zinc/24/62/79/877246279.db2.gz HVYRWKRBYKJAAN-UHFFFAOYSA-N -1 3 393.406 3.945 20 0 GHADHM CSc1ccccc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451066567 877325343 /nfs/dbraw/zinc/32/53/43/877325343.db2.gz NFZXGDMXUDVNLL-NSHDSACASA-N -1 3 382.454 3.755 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 ZINC000551564259 877442772 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CC(C)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCC[C@H](C)C1 ZINC000787847018 877668239 /nfs/dbraw/zinc/66/82/39/877668239.db2.gz BSRNUAJIBBHVRJ-MGPUTAFESA-N -1 3 379.472 3.680 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1nnnn1C1CCCCC1 ZINC000787851546 877671711 /nfs/dbraw/zinc/67/17/11/877671711.db2.gz ZSXXBQCNZXIGAZ-ZDUSSCGKSA-N -1 3 376.432 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)c(OC)cc3C)c2)n1 ZINC000121734550 877692121 /nfs/dbraw/zinc/69/21/21/877692121.db2.gz PFAWMPYYEZPOKZ-UHFFFAOYSA-N -1 3 393.443 3.577 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000788270155 877987429 /nfs/dbraw/zinc/98/74/29/877987429.db2.gz FOAVEBJSCHIRRG-AWEZNQCLSA-N -1 3 396.516 3.945 20 0 GHADHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000451473162 878021233 /nfs/dbraw/zinc/02/12/33/878021233.db2.gz VKZJCXFCCKHFGF-CQSZACIVSA-N -1 3 388.411 3.761 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1Br ZINC000176673218 878347083 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O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000530836267 878577140 /nfs/dbraw/zinc/57/71/40/878577140.db2.gz QYLWCSDGGHZMGM-UHFFFAOYSA-N -1 3 383.717 3.917 20 0 GHADHM O=c1[n-]nc(SCc2ncc(-c3cccc(F)c3)o2)n1CCc1ccccc1 ZINC000177201934 878597565 /nfs/dbraw/zinc/59/75/65/878597565.db2.gz WIBRYVGNRIUQRL-UHFFFAOYSA-N -1 3 396.447 3.901 20 0 GHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000460821370 878622273 /nfs/dbraw/zinc/62/22/73/878622273.db2.gz AKJOFTCDGMNFOV-KRWDZBQOSA-N -1 3 375.490 3.953 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1nccc2ccccc21 ZINC000177954547 878926908 /nfs/dbraw/zinc/92/69/08/878926908.db2.gz GDNPRJYDXMVWJM-UHFFFAOYSA-N -1 3 386.249 3.702 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000111210795 878951923 /nfs/dbraw/zinc/95/19/23/878951923.db2.gz BLSBDJYYJWOOMZ-UHFFFAOYSA-N -1 3 379.743 3.591 20 0 GHADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000452113116 878997768 /nfs/dbraw/zinc/99/77/68/878997768.db2.gz BMGHLKIFFXKQRQ-BDJLRTHQSA-N -1 3 381.350 3.719 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)[nH][n-]1 ZINC000538219135 879035806 /nfs/dbraw/zinc/03/58/06/879035806.db2.gz AFGGBJVPAZTENT-IBGZPJMESA-N -1 3 388.393 3.639 20 0 GHADHM Cn1cc(C[C@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)cn1 ZINC000531089927 879105358 /nfs/dbraw/zinc/10/53/58/879105358.db2.gz IEAZACVYFIXVBY-MRXNPFEDSA-N -1 3 377.444 3.623 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1[O-] ZINC000531117071 879200218 /nfs/dbraw/zinc/20/02/18/879200218.db2.gz RTXPQXIDIFKVRN-AWEZNQCLSA-N -1 3 378.432 3.603 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2ccccc2F)n1 ZINC000531155395 879261436 /nfs/dbraw/zinc/26/14/36/879261436.db2.gz DLPCNANDKOFWAS-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc(OC)c1[O-] ZINC000179099891 879331867 /nfs/dbraw/zinc/33/18/67/879331867.db2.gz WXCHNUKIEGEEIM-OAHLLOKOSA-N -1 3 375.852 3.910 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667066601 879350664 /nfs/dbraw/zinc/35/06/64/879350664.db2.gz WMAKHSLNHWGGGK-UHFFFAOYSA-N -1 3 378.432 3.583 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000531235744 879378174 /nfs/dbraw/zinc/37/81/74/879378174.db2.gz IXKMTWMYWSTUIF-HSZRJFAPSA-N -1 3 378.472 3.861 20 0 GHADHM CCc1nc(C(=O)[N-]N=c2ccc3ccccc3[nH]2)nn1-c1ccccc1Cl ZINC000181087372 879685601 /nfs/dbraw/zinc/68/56/01/879685601.db2.gz KMVYZZDAXQVKIF-UHFFFAOYSA-N -1 3 392.850 3.788 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000854337837 879737883 /nfs/dbraw/zinc/73/78/83/879737883.db2.gz IOPRGMMJNRMKLU-AWEZNQCLSA-N -1 3 394.537 3.881 20 0 GHADHM C[C@@H](NC1(CN=c2[n-]nc(-c3ccccc3)s2)CCOCC1)c1ccccc1 ZINC000531433620 879830922 /nfs/dbraw/zinc/83/09/22/879830922.db2.gz HPCVMYZQPASRLK-QGZVFWFLSA-N -1 3 394.544 3.939 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)c1 ZINC000854499773 879855218 /nfs/dbraw/zinc/85/52/18/879855218.db2.gz KUMROZYUGGYWTQ-OAHLLOKOSA-N -1 3 392.521 3.778 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc4nccc(C)c4c3C)nc21 ZINC000494110655 879908288 /nfs/dbraw/zinc/90/82/88/879908288.db2.gz RSVRPSAOTYJDHM-UHFFFAOYSA-N -1 3 380.429 3.828 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854583913 879924926 /nfs/dbraw/zinc/92/49/26/879924926.db2.gz QEMQOLUTGBOSJX-MRXNPFEDSA-N -1 3 396.447 3.516 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)nc21 ZINC000494130878 879960706 /nfs/dbraw/zinc/96/07/06/879960706.db2.gz NUXLINWMFHAFOI-UHFFFAOYSA-N -1 3 386.770 3.876 20 0 GHADHM CCOc1ccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000112628276 880051729 /nfs/dbraw/zinc/05/17/29/880051729.db2.gz OLVKRLHRJKRFMH-MRXNPFEDSA-N -1 3 392.455 3.856 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000613341473 880059006 /nfs/dbraw/zinc/05/90/06/880059006.db2.gz REYQNWNASBPCSA-LBPRGKRZSA-N -1 3 394.460 3.530 20 0 GHADHM CCOC(=O)c1c2c(sc1NC(=O)c1nnc3ccccc3c1[O-])CCCC2 ZINC000790930837 880072073 /nfs/dbraw/zinc/07/20/73/880072073.db2.gz ZEQHWDWJAAJASO-UHFFFAOYSA-N -1 3 397.456 3.705 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1Cl ZINC000113067841 880308314 /nfs/dbraw/zinc/30/83/14/880308314.db2.gz BVAGHOALEHRPJA-UHFFFAOYSA-N -1 3 396.871 3.505 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccc(F)c(F)c1F ZINC000531801709 880525679 /nfs/dbraw/zinc/52/56/79/880525679.db2.gz WZZYASYKWJXDQW-UHFFFAOYSA-N -1 3 397.154 3.904 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000532009173 880884264 /nfs/dbraw/zinc/88/42/64/880884264.db2.gz WLMMXAIJZXIZLX-UHFFFAOYSA-N -1 3 399.428 3.641 20 0 GHADHM C[C@@H](C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000856170760 881009200 /nfs/dbraw/zinc/00/92/00/881009200.db2.gz LEZLHEWQEXDWCF-NUEKZKHPSA-N -1 3 384.442 3.732 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1ccc(F)cc1F ZINC000856274032 881079853 /nfs/dbraw/zinc/07/98/53/881079853.db2.gz XGEUOJVPWGVJAM-MRXNPFEDSA-N -1 3 385.357 3.694 20 0 GHADHM COc1cc(C(=O)N[C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000856319864 881121769 /nfs/dbraw/zinc/12/17/69/881121769.db2.gz VXOGGZIXFFKQOE-ZWKOTPCHSA-N -1 3 393.867 3.551 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Br)cnc1OCC1CC1 ZINC000556954473 881175820 /nfs/dbraw/zinc/17/58/20/881175820.db2.gz UKRWEIUBIJNMCF-UHFFFAOYSA-N -1 3 381.201 3.730 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000532121440 881177529 /nfs/dbraw/zinc/17/75/29/881177529.db2.gz QOLYCKNHSJANKD-UHFFFAOYSA-N -1 3 383.470 3.508 20 0 GHADHM CCCCc1ccc(NC(=O)Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000445329842 881178723 /nfs/dbraw/zinc/17/87/23/881178723.db2.gz DJWCVRXWPKFPKN-UHFFFAOYSA-N -1 3 395.415 3.695 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000114185473 881186074 /nfs/dbraw/zinc/18/60/74/881186074.db2.gz HHGCSKMLQOXEMK-ZDUSSCGKSA-N -1 3 384.382 3.736 20 0 GHADHM COC(=O)c1cnc(SCc2csc(COc3ccc(F)cc3)n2)[n-]1 ZINC000187592698 881241412 /nfs/dbraw/zinc/24/14/12/881241412.db2.gz CRQXHCYWMRJAFV-UHFFFAOYSA-N -1 3 379.438 3.663 20 0 GHADHM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000532162944 881326377 /nfs/dbraw/zinc/32/63/77/881326377.db2.gz GVAIGBAADXICGW-OALUTQOASA-N -1 3 396.491 3.969 20 0 GHADHM FC(F)(F)CCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551071350 883232674 /nfs/dbraw/zinc/23/26/74/883232674.db2.gz NJIBOGNUJPNVJY-UHFFFAOYSA-N -1 3 388.147 3.779 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000123217103 883243741 /nfs/dbraw/zinc/24/37/41/883243741.db2.gz LDFGBWHKYOEBGX-FQEVSTJZSA-N -1 3 399.853 3.628 20 0 GHADHM O=C([N-][C@@H]1COCc2ccccc21)C(F)(F)c1ccc(Br)cc1 ZINC001129858532 883260693 /nfs/dbraw/zinc/26/06/93/883260693.db2.gz MQSJOZUSHOARFK-OAHLLOKOSA-N -1 3 382.204 3.929 20 0 GHADHM CCC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000195337477 883285795 /nfs/dbraw/zinc/28/57/95/883285795.db2.gz LSAWKXAETUTBLO-FQEVSTJZSA-N -1 3 390.487 3.731 20 0 GHADHM CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000914466596 883337976 /nfs/dbraw/zinc/33/79/76/883337976.db2.gz JTFCFZVQXFUKNB-GOSISDBHSA-N -1 3 390.480 3.538 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000195438654 883346795 /nfs/dbraw/zinc/34/67/95/883346795.db2.gz CIHWWLKEEPYTID-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209814 883487972 /nfs/dbraw/zinc/48/79/72/883487972.db2.gz ZCNRZWAOMQQRFZ-QWRGUYRKSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1nc(-c2ccc(N3CCc4c(ncn4-c4ccccc4)C3)nc2)[n-]c(=O)c1C ZINC000476986222 883540507 /nfs/dbraw/zinc/54/05/07/883540507.db2.gz URFIWIRLOXLMSV-UHFFFAOYSA-N -1 3 398.470 3.609 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805056649 883566145 /nfs/dbraw/zinc/56/61/45/883566145.db2.gz FFZGSIHTOMKXAJ-LKFCYVNXSA-N -1 3 393.267 3.582 20 0 GHADHM CC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CCCCC1 ZINC000475791013 883832426 /nfs/dbraw/zinc/83/24/26/883832426.db2.gz NWQBQKBJAHOUIF-UHFFFAOYSA-N -1 3 383.901 3.780 20 0 GHADHM COc1cc(OC)c(OC)cc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000551420975 883843991 /nfs/dbraw/zinc/84/39/91/883843991.db2.gz PMWJFJIZXQZOIK-QHCPKHFHSA-N -1 3 399.487 3.854 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(-c4ccccc4)c3)nc(=O)c2c1C ZINC000012865034 883900572 /nfs/dbraw/zinc/90/05/72/883900572.db2.gz HKCTYYUORXGPRI-GFCCVEGCSA-N -1 3 394.456 3.705 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CN(CC)C(C)=O)c(C)c1 ZINC000194728402 883911303 /nfs/dbraw/zinc/91/13/03/883911303.db2.gz JXGXXUCDSVDERF-UHFFFAOYSA-N -1 3 390.505 3.563 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c([O-])c1 ZINC000190323622 884066575 /nfs/dbraw/zinc/06/65/75/884066575.db2.gz DNMKHCPDTVQBKT-OAHLLOKOSA-N -1 3 384.480 3.517 20 0 GHADHM CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1F ZINC000760422853 884072233 /nfs/dbraw/zinc/07/22/33/884072233.db2.gz HXWOXAJOJKHKFC-IBGZPJMESA-N -1 3 399.466 3.525 20 0 GHADHM O=c1nc(CN2CCO[C@@H](c3ccccc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000192603481 884285061 /nfs/dbraw/zinc/28/50/61/884285061.db2.gz SYRPOANULMDJKR-QGZVFWFLSA-N -1 3 393.468 3.818 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCC(=O)c2ccc(OC)cc2)c([O-])c1 ZINC000556276847 884331466 /nfs/dbraw/zinc/33/14/66/884331466.db2.gz XAXAOADXSSKRQT-UHFFFAOYSA-N -1 3 385.416 3.569 20 0 GHADHM COc1cccc2c1OCC[C@@H]2[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001130528604 884401578 /nfs/dbraw/zinc/40/15/78/884401578.db2.gz BPENPMAVJVKIBC-ZDUSSCGKSA-N -1 3 382.794 3.784 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000476330617 884403470 /nfs/dbraw/zinc/40/34/70/884403470.db2.gz ZJGDOTWQOBZQIR-CYBMUJFWSA-N -1 3 381.473 3.827 20 0 GHADHM COCCOc1cccc(CCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000476335084 884429525 /nfs/dbraw/zinc/42/95/25/884429525.db2.gz KEVUHMVFHYGQIT-UHFFFAOYSA-N -1 3 394.265 3.751 20 0 GHADHM COc1cc(CCNC(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000130283828 884444022 /nfs/dbraw/zinc/44/40/22/884444022.db2.gz VYCMNPIMXXKNKJ-UHFFFAOYSA-N -1 3 393.281 3.514 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)s1 ZINC000533913872 884493025 /nfs/dbraw/zinc/49/30/25/884493025.db2.gz YYXDEILQUMUCGH-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000070878324 884530490 /nfs/dbraw/zinc/53/04/90/884530490.db2.gz RFYPOCXWJCVENY-UHFFFAOYSA-N -1 3 376.261 3.823 20 0 GHADHM COC(=O)N(C)Cc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000117378399 884548568 /nfs/dbraw/zinc/54/85/68/884548568.db2.gz LMPODMGNFZRTQR-UHFFFAOYSA-N -1 3 382.416 3.617 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(F)cccc2Br)[n-]n1 ZINC000898095717 884580288 /nfs/dbraw/zinc/58/02/88/884580288.db2.gz CXPUMUKKMKPPFM-UHFFFAOYSA-N -1 3 384.205 3.519 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(F)cccc2Br)n[n-]1 ZINC000898095717 884580291 /nfs/dbraw/zinc/58/02/91/884580291.db2.gz CXPUMUKKMKPPFM-UHFFFAOYSA-N -1 3 384.205 3.519 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000914725147 884615888 /nfs/dbraw/zinc/61/58/88/884615888.db2.gz IVQJBGSEKNHCHJ-HNNXBMFYSA-N -1 3 392.496 3.654 20 0 GHADHM CC(C)c1ccc(OCCNC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000918939863 884626186 /nfs/dbraw/zinc/62/61/86/884626186.db2.gz NOZHZPMCCVELDH-UHFFFAOYSA-N -1 3 386.473 3.705 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCOCC1 ZINC000556373298 884673361 /nfs/dbraw/zinc/67/33/61/884673361.db2.gz IDQHRVKJVYGEKT-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CCC[C@H](C)c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000761847418 884801460 /nfs/dbraw/zinc/80/14/60/884801460.db2.gz VICCFLYEVLHZEF-JTQLQIEISA-N -1 3 392.308 3.801 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccnn3C(C)C)cc2)cc1 ZINC000130670745 884982730 /nfs/dbraw/zinc/98/27/30/884982730.db2.gz FDPOCCLPOQZGJD-UHFFFAOYSA-N -1 3 398.488 3.826 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)NCc1ccc(OC(F)(F)F)cc1 ZINC000914890001 885113851 /nfs/dbraw/zinc/11/38/51/885113851.db2.gz ASBPMOYMHFDRKZ-UHFFFAOYSA-N -1 3 398.362 3.601 20 0 GHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000914890868 885116060 /nfs/dbraw/zinc/11/60/60/885116060.db2.gz IUMKNBGJGWPTLM-MRVPVSSYSA-N -1 3 394.355 3.735 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)n[n-]2)o1 ZINC000919328092 885339896 /nfs/dbraw/zinc/33/98/96/885339896.db2.gz LTARDONFXJBBML-UHFFFAOYSA-N -1 3 393.321 3.792 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]n2)o1 ZINC000919328092 885339916 /nfs/dbraw/zinc/33/99/16/885339916.db2.gz LTARDONFXJBBML-UHFFFAOYSA-N -1 3 393.321 3.792 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000919328115 885342226 /nfs/dbraw/zinc/34/22/26/885342226.db2.gz MGPLWXVWFABCSL-GFCCVEGCSA-N -1 3 385.445 3.884 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000919328115 885342248 /nfs/dbraw/zinc/34/22/48/885342248.db2.gz MGPLWXVWFABCSL-GFCCVEGCSA-N -1 3 385.445 3.884 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919328652 885344489 /nfs/dbraw/zinc/34/44/89/885344489.db2.gz IDIKBRMYLIXFBS-FQEVSTJZSA-N -1 3 381.432 3.648 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919328652 885344509 /nfs/dbraw/zinc/34/45/09/885344509.db2.gz IDIKBRMYLIXFBS-FQEVSTJZSA-N -1 3 381.432 3.648 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919329239 885346486 /nfs/dbraw/zinc/34/64/86/885346486.db2.gz LZOXFZOOCXAJRP-GFCCVEGCSA-N -1 3 385.445 3.884 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919329239 885346509 /nfs/dbraw/zinc/34/65/09/885346509.db2.gz LZOXFZOOCXAJRP-GFCCVEGCSA-N -1 3 385.445 3.884 20 0 GHADHM Cc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)nc(C(C)C)n1 ZINC000071946621 885396901 /nfs/dbraw/zinc/39/69/01/885396901.db2.gz KGUPYEASDIEUFM-UHFFFAOYSA-N -1 3 382.508 3.700 20 0 GHADHM Cc1ccc(-c2ncc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)s2)cc1 ZINC000131013948 885416428 /nfs/dbraw/zinc/41/64/28/885416428.db2.gz AEVIRHPUTDKJMA-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM C[C@@H]1CC(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@@H](C)C1 ZINC001130942711 885438410 /nfs/dbraw/zinc/43/84/10/885438410.db2.gz KLFIVRDPVKVPED-KBPBESRZSA-N -1 3 398.544 3.705 20 0 GHADHM O=C(c1cc(F)cc([N-]c2nnc(Br)s2)c1)N1CCCCC1 ZINC001212202015 885443757 /nfs/dbraw/zinc/44/37/57/885443757.db2.gz QSQXUVRFSJBSRI-UHFFFAOYSA-N -1 3 385.262 3.809 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000476384044 885484692 /nfs/dbraw/zinc/48/46/92/885484692.db2.gz AIYNHNXNJJABFN-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM COC1(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)CCC(c2ccccc2)CC1 ZINC000286874532 912939667 /nfs/dbraw/zinc/93/96/67/912939667.db2.gz ZQLADMDUFQVMAN-UHFFFAOYSA-N -1 3 397.519 3.591 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118307394 885581774 /nfs/dbraw/zinc/58/17/74/885581774.db2.gz YBIBYDKTSVBOMK-LJQANCHMSA-N -1 3 377.444 3.689 20 0 GHADHM Cc1cccc(Oc2ncccc2NC(=O)c2nnc3ccccc3c2[O-])c1C ZINC000118317447 885587138 /nfs/dbraw/zinc/58/71/38/885587138.db2.gz AOCOVCAPYFTTHP-UHFFFAOYSA-N -1 3 386.411 3.980 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000460423924 885594763 /nfs/dbraw/zinc/59/47/63/885594763.db2.gz DLNXYMWKKJPWMU-UHFFFAOYSA-N -1 3 388.489 3.792 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2)n1 ZINC000118336364 885627681 /nfs/dbraw/zinc/62/76/81/885627681.db2.gz IKTGEFGSUKBFDR-UHFFFAOYSA-N -1 3 377.429 3.684 20 0 GHADHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000795887819 912956424 /nfs/dbraw/zinc/95/64/24/912956424.db2.gz FIRCCUDLDHLAMN-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM O=C(Nc1cccc(Cl)c1OCC(F)F)c1nnc2ccccc2c1[O-] ZINC000807729788 885658909 /nfs/dbraw/zinc/65/89/09/885658909.db2.gz UBVVEXYDBPMIAX-UHFFFAOYSA-N -1 3 379.750 3.885 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1Cc1ccccc1 ZINC000046851267 885916693 /nfs/dbraw/zinc/91/66/93/885916693.db2.gz NMAKATQEPBXNGX-UHFFFAOYSA-N -1 3 389.455 3.535 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000556707410 885961699 /nfs/dbraw/zinc/96/16/99/885961699.db2.gz DTNKCWGPVWTYMB-LPHOPBHVSA-N -1 3 396.487 3.661 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(F)c1F ZINC001184096967 912998745 /nfs/dbraw/zinc/99/87/45/912998745.db2.gz BITLLWDKOHNFAU-SFHVURJKSA-N -1 3 398.247 3.917 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000117228594 886042915 /nfs/dbraw/zinc/04/29/15/886042915.db2.gz FINRWOVNLFXXJZ-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000808340770 886244325 /nfs/dbraw/zinc/24/43/25/886244325.db2.gz SBRHUTLGHVDJGL-BONVTDFDSA-N -1 3 393.814 3.759 20 0 GHADHM CS(=O)(=O)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1Cl ZINC000644078842 913027688 /nfs/dbraw/zinc/02/76/88/913027688.db2.gz JSUBLWCQUDLRMA-UHFFFAOYSA-N -1 3 385.844 3.550 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc(Cl)c1Cl ZINC000762527090 886321432 /nfs/dbraw/zinc/32/14/32/886321432.db2.gz VBJLVYSSCQOEEL-BREBYQMCSA-N -1 3 384.375 3.651 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1[O-] ZINC000556892046 886521643 /nfs/dbraw/zinc/52/16/43/886521643.db2.gz HHLQKYBCBXJAAJ-UHFFFAOYSA-N -1 3 375.428 3.830 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3cccc(Cl)c3C)cc2)n1 ZINC000119344541 886562616 /nfs/dbraw/zinc/56/26/16/886562616.db2.gz NBFDPXHDAWAFKO-UHFFFAOYSA-N -1 3 383.835 3.725 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000460455104 886660991 /nfs/dbraw/zinc/66/09/91/886660991.db2.gz YEDYESWAFSSAFN-UHFFFAOYSA-N -1 3 393.358 3.588 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)n[n-]c21 ZINC000808672979 886671040 /nfs/dbraw/zinc/67/10/40/886671040.db2.gz IVTBAWXPCNZTAL-VIFPVBQESA-N -1 3 391.786 3.548 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000808672979 886671046 /nfs/dbraw/zinc/67/10/46/886671046.db2.gz IVTBAWXPCNZTAL-VIFPVBQESA-N -1 3 391.786 3.548 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cccc4ccccc43)n[n-]c21 ZINC000808676430 886673512 /nfs/dbraw/zinc/67/35/12/886673512.db2.gz LLKFNYBUBKKGKX-CYBMUJFWSA-N -1 3 389.411 3.909 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000808676430 886673521 /nfs/dbraw/zinc/67/35/21/886673521.db2.gz LLKFNYBUBKKGKX-CYBMUJFWSA-N -1 3 389.411 3.909 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)N3CCC[C@@H]3c3cccs3)n[n-]c21 ZINC000808675717 886675410 /nfs/dbraw/zinc/67/54/10/886675410.db2.gz QFKZPTLOWPLBOF-GXTWGEPZSA-N -1 3 399.472 3.542 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000808675717 886675422 /nfs/dbraw/zinc/67/54/22/886675422.db2.gz QFKZPTLOWPLBOF-GXTWGEPZSA-N -1 3 399.472 3.542 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000862831756 886682376 /nfs/dbraw/zinc/68/23/76/886682376.db2.gz ZVDBPNOCXSNWAF-UHFFFAOYSA-N -1 3 386.404 3.745 20 0 GHADHM C[C@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)OC(C)(C)C ZINC000762850536 886858687 /nfs/dbraw/zinc/85/86/87/886858687.db2.gz AQRXMMIQMFDKDV-JTQLQIEISA-N -1 3 395.253 3.726 20 0 GHADHM COC(=O)c1cnc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000863449787 887118631 /nfs/dbraw/zinc/11/86/31/887118631.db2.gz ZKSMIVATQIMGAO-UHFFFAOYSA-N -1 3 382.869 3.556 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(C)cc1 ZINC000429730783 887353823 /nfs/dbraw/zinc/35/38/23/887353823.db2.gz NKBPMRKFKNVBTI-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(C)cc1 ZINC000429730783 887353831 /nfs/dbraw/zinc/35/38/31/887353831.db2.gz NKBPMRKFKNVBTI-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OCCC)c1 ZINC000429730693 887381712 /nfs/dbraw/zinc/38/17/12/887381712.db2.gz MZYMWKDVUNIKOQ-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OCCC)c1 ZINC000429730693 887381724 /nfs/dbraw/zinc/38/17/24/887381724.db2.gz MZYMWKDVUNIKOQ-UHFFFAOYSA-N -1 3 381.436 3.697 20 0 GHADHM CCCCCC(=O)NC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459323725 887383622 /nfs/dbraw/zinc/38/36/22/887383622.db2.gz JZBUNOQDTRHYBA-UHFFFAOYSA-N -1 3 382.508 3.510 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC001131707786 887442765 /nfs/dbraw/zinc/44/27/65/887442765.db2.gz STZVTKYWURGNJE-AGIUHOORSA-N -1 3 395.912 3.907 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC001131707786 887442777 /nfs/dbraw/zinc/44/27/77/887442777.db2.gz STZVTKYWURGNJE-AGIUHOORSA-N -1 3 395.912 3.907 20 0 GHADHM COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459363665 887706178 /nfs/dbraw/zinc/70/61/78/887706178.db2.gz IIFFNJZXTDVUGU-MRXNPFEDSA-N -1 3 396.274 3.713 20 0 GHADHM C[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cscn1 ZINC000536625325 887741699 /nfs/dbraw/zinc/74/16/99/887741699.db2.gz GQLHMSQHDKAESG-ZDUSSCGKSA-N -1 3 391.493 3.934 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)Nc1cc([O-])cc(Cl)c1)C2(C)C ZINC001184397103 913178653 /nfs/dbraw/zinc/17/86/53/913178653.db2.gz POVWCEUGWZUARQ-KKUMJFAQSA-N -1 3 380.872 3.876 20 0 GHADHM CC(C)OC[C@H](NCc1ccccc1OCc1ccc(F)cc1F)C(=O)[O-] ZINC000864517466 887820042 /nfs/dbraw/zinc/82/00/42/887820042.db2.gz FZBNIVMJYVPPQU-SFHVURJKSA-N -1 3 379.403 3.512 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000747577878 887965564 /nfs/dbraw/zinc/96/55/64/887965564.db2.gz JFRTVGNVKFESLU-UHFFFAOYSA-N -1 3 388.386 3.510 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810073498 888126481 /nfs/dbraw/zinc/12/64/81/888126481.db2.gz YWVCOTDIBDKMNW-LBPRGKRZSA-N -1 3 387.427 3.602 20 0 GHADHM CCOCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000865181441 888236354 /nfs/dbraw/zinc/23/63/54/888236354.db2.gz BBHAZDZWTVOLGO-UHFFFAOYSA-N -1 3 396.431 3.612 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Oc3ccc(F)cc3)cn2)c2ccccc21 ZINC000729663431 888269755 /nfs/dbraw/zinc/26/97/55/888269755.db2.gz DSDHUOGEXANGOR-LDADJPATSA-N -1 3 375.359 3.736 20 0 GHADHM CCc1cccc(CC)c1-n1ccnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865353296 888312260 /nfs/dbraw/zinc/31/22/60/888312260.db2.gz FICZXKQZYKYQPY-UHFFFAOYSA-N -1 3 396.516 3.858 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000056765620 888376715 /nfs/dbraw/zinc/37/67/15/888376715.db2.gz APJDRGHFGFCPRE-AWEZNQCLSA-N -1 3 396.878 3.556 20 0 GHADHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000032629665 888418641 /nfs/dbraw/zinc/41/86/41/888418641.db2.gz LHANVYVGSBDNGD-UHFFFAOYSA-N -1 3 386.807 3.546 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000810443713 888523735 /nfs/dbraw/zinc/52/37/35/888523735.db2.gz ULETVVPPNMWTLM-BLLLJJGKSA-N -1 3 382.888 3.859 20 0 GHADHM O=c1[n-]c(CNCc2cc(Cl)ccc2OC2CCCC2)nc2c1COCC2 ZINC000865866176 888620595 /nfs/dbraw/zinc/62/05/95/888620595.db2.gz GRXAPSFKGAPSRI-UHFFFAOYSA-N -1 3 389.883 3.520 20 0 GHADHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc3cc(C)ccc23)C1=O ZINC000794883034 888649070 /nfs/dbraw/zinc/64/90/70/888649070.db2.gz RFTFDRBLCHXIOS-OAQYLSRUSA-N -1 3 393.468 3.712 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(C)C ZINC000916108663 888719969 /nfs/dbraw/zinc/71/99/69/888719969.db2.gz LBYSNYMFUUMYSC-UHFFFAOYSA-N -1 3 390.505 3.883 20 0 GHADHM O=C(OCC1CCN(c2cnccn2)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810730869 888830525 /nfs/dbraw/zinc/83/05/25/888830525.db2.gz CZUZDPPLRTXUSD-UHFFFAOYSA-N -1 3 376.869 3.746 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000532836540 889052763 /nfs/dbraw/zinc/05/27/63/889052763.db2.gz DPNVUVNIRYDCPE-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)sc1Cl ZINC001184602888 913312839 /nfs/dbraw/zinc/31/28/39/913312839.db2.gz MXCJPFISFVGCMR-ZDUSSCGKSA-N -1 3 388.942 3.808 20 0 GHADHM O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001132572846 889123539 /nfs/dbraw/zinc/12/35/39/889123539.db2.gz MYLKFXHYSJXMPM-UHFFFAOYSA-N -1 3 394.045 3.784 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000016719227 889134007 /nfs/dbraw/zinc/13/40/07/889134007.db2.gz CCLKMYGBXDRQIM-QGOAFFKASA-N -1 3 380.407 3.953 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2cnn(C(C)C)c2n1 ZINC000123622170 889349011 /nfs/dbraw/zinc/34/90/11/889349011.db2.gz XHXYIOKVCHLGTL-UHFFFAOYSA-N -1 3 390.451 3.568 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2cnn(C(C)C)c2n1 ZINC000123622170 889349020 /nfs/dbraw/zinc/34/90/20/889349020.db2.gz XHXYIOKVCHLGTL-UHFFFAOYSA-N -1 3 390.451 3.568 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C1)C(F)(F)F ZINC000868443137 889444279 /nfs/dbraw/zinc/44/42/79/889444279.db2.gz BBXMRWKVCYRLOE-GFCCVEGCSA-N -1 3 393.409 3.576 20 0 GHADHM COc1ccc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1OC ZINC000811394364 889533191 /nfs/dbraw/zinc/53/31/91/889533191.db2.gz BPNQBUKQJJNHNR-UHFFFAOYSA-N -1 3 394.836 3.696 20 0 GHADHM CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(Br)cc1[O-] ZINC000124223949 889552862 /nfs/dbraw/zinc/55/28/62/889552862.db2.gz JJIDLIUCKOQJPG-UHFFFAOYSA-N -1 3 384.299 3.837 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c([O-])c1 ZINC000124794661 889766403 /nfs/dbraw/zinc/76/64/03/889766403.db2.gz POAAKVXPZYVQSS-UHFFFAOYSA-N -1 3 386.429 3.775 20 0 GHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000124895296 889806675 /nfs/dbraw/zinc/80/66/75/889806675.db2.gz NSMZTRHMWRSQCU-UHFFFAOYSA-N -1 3 391.468 3.677 20 0 GHADHM Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc([O-])cc2)c2cccs2)cc1 ZINC000017483232 889883020 /nfs/dbraw/zinc/88/30/20/889883020.db2.gz UXSNKRXOQIKGEN-HXUWFJFHSA-N -1 3 381.453 3.825 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=S)Nc2ccc3ccccc3c2)C1)C(F)(F)F ZINC000811712681 889891253 /nfs/dbraw/zinc/89/12/53/889891253.db2.gz YFKNKPJWEPNIIN-ZDUSSCGKSA-N -1 3 395.450 3.927 20 0 GHADHM CC(C)n1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c2ccccc2c1=O ZINC000125269898 889931066 /nfs/dbraw/zinc/93/10/66/889931066.db2.gz AJUGIRGPWSVAOF-UHFFFAOYSA-N -1 3 391.349 3.954 20 0 GHADHM O=c1nc(CN2CCN(Cc3ccco3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000533227433 890062989 /nfs/dbraw/zinc/06/29/89/890062989.db2.gz RHTRLJRXLBUXJC-UHFFFAOYSA-N -1 3 396.472 3.568 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cn4c(n3)C[C@H](C)CC4)nc(=O)c2c1C ZINC000869856596 890101174 /nfs/dbraw/zinc/10/11/74/890101174.db2.gz DFCGZQLOXYSTPM-MWLCHTKSSA-N -1 3 386.477 3.711 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cc(F)ccc1Br ZINC000533253967 890101861 /nfs/dbraw/zinc/10/18/61/890101861.db2.gz DZZOIKMQAKSLBG-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccccc1 ZINC001184806417 913417124 /nfs/dbraw/zinc/41/71/24/913417124.db2.gz WYPMITLCPYFCFI-KRWDZBQOSA-N -1 3 379.453 3.678 20 0 GHADHM O=c1[n-]c(CSc2nc3cc(Cl)cnc3[nH]2)nc2c3ccccc3oc21 ZINC000125894896 890239996 /nfs/dbraw/zinc/23/99/96/890239996.db2.gz JPNMCOMIPLNBFG-UHFFFAOYSA-N -1 3 383.820 3.886 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000125975004 890298642 /nfs/dbraw/zinc/29/86/42/890298642.db2.gz MBHFQYXYAMRKQU-UHFFFAOYSA-N -1 3 375.222 3.756 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000870495987 890376605 /nfs/dbraw/zinc/37/66/05/890376605.db2.gz JMYPFTYAHPQRRW-JOCQHMNTSA-N -1 3 382.888 3.859 20 0 GHADHM CC1(C)C[C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c2ccccc21 ZINC000812175036 890384240 /nfs/dbraw/zinc/38/42/40/890384240.db2.gz IMBOAYQEVFMMHL-CZUORRHYSA-N -1 3 397.441 3.509 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000126182123 890401371 /nfs/dbraw/zinc/40/13/71/890401371.db2.gz FFKWQYZATJPKFA-YGRLFVJLSA-N -1 3 397.219 3.788 20 0 GHADHM O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)[N-]c1cc2c(cn1)CCCC2 ZINC000812332993 890541140 /nfs/dbraw/zinc/54/11/40/890541140.db2.gz WFTHXCLPXDDGDQ-UHFFFAOYSA-N -1 3 386.395 3.801 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000154234693 890682561 /nfs/dbraw/zinc/68/25/61/890682561.db2.gz UIDAPUSWPKONME-NSHDSACASA-N -1 3 391.349 3.854 20 0 GHADHM Cc1ccccc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871312705 890745234 /nfs/dbraw/zinc/74/52/34/890745234.db2.gz LXOJGJRUNQMVQU-CQSZACIVSA-N -1 3 376.378 3.808 20 0 GHADHM CNc1ccccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315023 890748559 /nfs/dbraw/zinc/74/85/59/890748559.db2.gz UEQHGKAWBSFFIY-ZDUSSCGKSA-N -1 3 391.393 3.541 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)c2ccccc21)C(F)(F)F ZINC000871316181 890751448 /nfs/dbraw/zinc/75/14/48/890751448.db2.gz RJWAXAXTHKRNKL-PBHICJAKSA-N -1 3 388.389 3.525 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1ccncc1F ZINC000126880373 890799117 /nfs/dbraw/zinc/79/91/17/890799117.db2.gz UDGRRGUAXRJOSW-UHFFFAOYSA-N -1 3 379.214 3.754 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812760057 890908353 /nfs/dbraw/zinc/90/83/53/890908353.db2.gz RILVZNBICIOFCV-OAHLLOKOSA-N -1 3 399.466 3.651 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812759460 890944168 /nfs/dbraw/zinc/94/41/68/890944168.db2.gz DXOIWNHYMPEDCA-HNNXBMFYSA-N -1 3 389.455 3.956 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2cccnc2Cl)cc1C ZINC001184877693 913508550 /nfs/dbraw/zinc/50/85/50/913508550.db2.gz DSBDIZUTLSKBAY-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC(C)c1nc2ccc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)cc2s1 ZINC000066980171 891137114 /nfs/dbraw/zinc/13/71/14/891137114.db2.gz PVHCAAIVNGGGMY-UHFFFAOYSA-N -1 3 398.488 3.677 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2 ZINC000872169606 891194099 /nfs/dbraw/zinc/19/40/99/891194099.db2.gz SUCPRILMUVDTDD-DYVFJYSZSA-N -1 3 381.354 3.585 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000067135556 891204149 /nfs/dbraw/zinc/20/41/49/891204149.db2.gz JSAZSPJUIKDVCC-UHFFFAOYSA-N -1 3 376.873 3.710 20 0 GHADHM CCOCOc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000825604253 891261973 /nfs/dbraw/zinc/26/19/73/891261973.db2.gz GGFMWRAIJGFTJB-UHFFFAOYSA-N -1 3 383.452 3.639 20 0 GHADHM CCOCOc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000825604253 891261982 /nfs/dbraw/zinc/26/19/82/891261982.db2.gz GGFMWRAIJGFTJB-UHFFFAOYSA-N -1 3 383.452 3.639 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)cc1F ZINC001212179846 891364773 /nfs/dbraw/zinc/36/47/73/891364773.db2.gz OTNQLVMWBPSEJN-MRXNPFEDSA-N -1 3 387.473 3.517 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1Cl ZINC000128087938 891407579 /nfs/dbraw/zinc/40/75/79/891407579.db2.gz PXFPPDKNUOUUFG-YVEFUNNKSA-N -1 3 390.842 3.667 20 0 GHADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825648839 891446543 /nfs/dbraw/zinc/44/65/43/891446543.db2.gz DKEUZBMNPMHCCP-YOEHRIQHSA-N -1 3 398.854 3.596 20 0 GHADHM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825648839 891446548 /nfs/dbraw/zinc/44/65/48/891446548.db2.gz DKEUZBMNPMHCCP-YOEHRIQHSA-N -1 3 398.854 3.596 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000128187947 891470083 /nfs/dbraw/zinc/47/00/83/891470083.db2.gz CGHDHSLXOBZNGN-ADLMAVQZSA-N -1 3 376.840 3.510 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000128256659 891516804 /nfs/dbraw/zinc/51/68/04/891516804.db2.gz RFVLKULPBKNYKW-LLVKDONJSA-N -1 3 397.378 3.795 20 0 GHADHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000497405447 891518444 /nfs/dbraw/zinc/51/84/44/891518444.db2.gz ACUGLCQGEGMCGX-AWEZNQCLSA-N -1 3 388.514 3.728 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2C)[n-]1 ZINC000497411968 891560847 /nfs/dbraw/zinc/56/08/47/891560847.db2.gz UTSHXZFTMGBEMG-UHFFFAOYSA-N -1 3 388.427 3.760 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(I)cc1[O-])c1ccccc1 ZINC001185021695 913583180 /nfs/dbraw/zinc/58/31/80/913583180.db2.gz JXGKOOGCKDTDNN-SNVBAGLBSA-N -1 3 382.201 3.880 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cncnc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000825687944 891733288 /nfs/dbraw/zinc/73/32/88/891733288.db2.gz OOBLXUBAENEWIJ-UHFFFAOYSA-N -1 3 391.460 3.508 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cncnc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000825687944 891733297 /nfs/dbraw/zinc/73/32/97/891733297.db2.gz OOBLXUBAENEWIJ-UHFFFAOYSA-N -1 3 391.460 3.508 20 0 GHADHM Cc1ccccc1-n1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c2c1CCC2 ZINC000497579744 891896423 /nfs/dbraw/zinc/89/64/23/891896423.db2.gz SVHKFEJRTCCUKU-UHFFFAOYSA-N -1 3 383.455 3.734 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3csc(C4CC4)n3)c2)n1 ZINC000874071527 891977269 /nfs/dbraw/zinc/97/72/69/891977269.db2.gz ARVQZKVHYQZNHU-UHFFFAOYSA-N -1 3 380.473 3.927 20 0 GHADHM Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)[N-]c1cnoc1 ZINC000874264793 892059577 /nfs/dbraw/zinc/05/95/77/892059577.db2.gz ZYAKQKLBBZTPDH-UHFFFAOYSA-N -1 3 392.481 3.806 20 0 GHADHM O=C(c1cccc(Cl)c1[O-])N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001272106315 892133506 /nfs/dbraw/zinc/13/35/06/892133506.db2.gz ULPQQDVZFJEXAL-SMDDNHRTSA-N -1 3 376.806 3.534 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1nc(C(F)(F)F)ccc1Cl ZINC001185098073 913636421 /nfs/dbraw/zinc/63/64/21/913636421.db2.gz DCERRWRBXVDCLB-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cn(Cc4ccccc4)nn3)s2)c(C)c1 ZINC000068435927 892271770 /nfs/dbraw/zinc/27/17/70/892271770.db2.gz UMILPSNXJXBNKX-UHFFFAOYSA-N -1 3 390.472 3.714 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1Br ZINC000874636102 892274425 /nfs/dbraw/zinc/27/44/25/892274425.db2.gz RHCUOCCHERGXKP-LLVKDONJSA-N -1 3 381.245 3.889 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCSC1 ZINC000288081924 913649994 /nfs/dbraw/zinc/64/99/94/913649994.db2.gz PPTNMPMLIMCOSV-JXFKEZNVSA-N -1 3 398.528 3.513 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000666829223 892336438 /nfs/dbraw/zinc/33/64/38/892336438.db2.gz NHSJTEVXVUUBAY-UHFFFAOYSA-N -1 3 392.459 3.701 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000263154035 892454587 /nfs/dbraw/zinc/45/45/87/892454587.db2.gz PURQEXJQSCUHQN-OKZBNKHCSA-N -1 3 386.536 3.708 20 0 GHADHM COCc1ccccc1/C=C(/C)CNc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000814293005 892499305 /nfs/dbraw/zinc/49/93/05/892499305.db2.gz QYCKJCRTPWLUOO-PTNGSMBKSA-N -1 3 390.505 3.729 20 0 GHADHM COc1ccc(-n2c(CN3C[C@H](C)C[C@H](C(=O)[O-])C3)nc3ccccc32)cc1 ZINC000263345403 892531356 /nfs/dbraw/zinc/53/13/56/892531356.db2.gz OMNHVFOWDNOESM-CVEARBPZSA-N -1 3 379.460 3.577 20 0 GHADHM Cc1ccc(-c2nn(Cc3ccccc3)cc2CN2CC(C(=O)[O-])C2)cc1C ZINC000263534686 892589626 /nfs/dbraw/zinc/58/96/26/892589626.db2.gz YOPUHJQZZPUTNG-UHFFFAOYSA-N -1 3 375.472 3.732 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cccc(OC(F)(F)F)c1F ZINC001185135195 913689490 /nfs/dbraw/zinc/68/94/90/913689490.db2.gz LMWZLPUZAAVYJD-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000068786934 892751672 /nfs/dbraw/zinc/75/16/72/892751672.db2.gz IQDLEEZCOAERGT-NSHDSACASA-N -1 3 378.222 3.763 20 0 GHADHM COc1ccc2ccc(C(=O)OCc3noc(-c4ccccc4[O-])n3)cc2c1 ZINC000814499105 892823133 /nfs/dbraw/zinc/82/31/33/892823133.db2.gz XTKIGVPAUXAAJN-UHFFFAOYSA-N -1 3 376.368 3.961 20 0 GHADHM CCN(C(=O)[C@@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1)c1cccc2ccccc21 ZINC000814532679 892833195 /nfs/dbraw/zinc/83/31/95/892833195.db2.gz ZVDDKLYOYOCTEW-CQSZACIVSA-N -1 3 394.427 3.553 20 0 GHADHM CN(C)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000814717930 893120745 /nfs/dbraw/zinc/12/07/45/893120745.db2.gz WOQURXUSOSXUIQ-UHFFFAOYSA-N -1 3 377.473 3.879 20 0 GHADHM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000562949454 893206942 /nfs/dbraw/zinc/20/69/42/893206942.db2.gz FRWCXAFNZIUARH-AWEZNQCLSA-N -1 3 387.505 3.696 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccnc4ccccc34)nc21 ZINC001134753491 893289072 /nfs/dbraw/zinc/28/90/72/893289072.db2.gz OCXIFZKUFBGWQQ-ZHACJKMWSA-N -1 3 386.411 3.940 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@]34CCCC[C@@H]3C4(F)F)nc21 ZINC001134753661 893289332 /nfs/dbraw/zinc/28/93/32/893289332.db2.gz RKWMZKLZVBDOMA-UGSOOPFHSA-N -1 3 377.391 3.894 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)n[n-]2)o1 ZINC000815192017 893538057 /nfs/dbraw/zinc/53/80/57/893538057.db2.gz ANFRVXIZXPNKON-YJYMSZOUSA-N -1 3 397.406 3.636 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)[n-]n2)o1 ZINC000815192017 893538081 /nfs/dbraw/zinc/53/80/81/893538081.db2.gz ANFRVXIZXPNKON-YJYMSZOUSA-N -1 3 397.406 3.636 20 0 GHADHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000536706266 893570489 /nfs/dbraw/zinc/57/04/89/893570489.db2.gz BFDLVQVJTSPBSM-UHFFFAOYSA-N -1 3 391.892 3.658 20 0 GHADHM CCOc1cc(CNc2cccc3c2CCN3C(=O)COC)cc(Cl)c1[O-] ZINC000459478953 893591983 /nfs/dbraw/zinc/59/19/83/893591983.db2.gz HRJSOZZOGPDKAW-UHFFFAOYSA-N -1 3 390.867 3.592 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3nsc4ccccc34)nc21 ZINC001134940642 893647059 /nfs/dbraw/zinc/64/70/59/893647059.db2.gz KADPNOVGDIIJRE-UHFFFAOYSA-N -1 3 380.429 3.531 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](CC)Oc3ccccc3F)nc21 ZINC001134941053 893647274 /nfs/dbraw/zinc/64/72/74/893647274.db2.gz SPVPKVVTGJDOIV-OAHLLOKOSA-N -1 3 385.395 3.675 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1cccc(N2CCCC2)c1 ZINC000934493106 893675125 /nfs/dbraw/zinc/67/51/25/893675125.db2.gz ITMKGBZBXMTRGO-CYBMUJFWSA-N -1 3 397.425 3.898 20 0 GHADHM CSc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc([O-])cc3)n2)cc1 ZINC000556099363 893743532 /nfs/dbraw/zinc/74/35/32/893743532.db2.gz PWCFJIKWFZOXPQ-UHFFFAOYSA-N -1 3 399.497 3.606 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000877916186 893892731 /nfs/dbraw/zinc/89/27/31/893892731.db2.gz ZLLHHTWCSKSUPR-UHFFFAOYSA-N -1 3 398.894 3.804 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2SCC)c1 ZINC000563579128 893932461 /nfs/dbraw/zinc/93/24/61/893932461.db2.gz OMLAVZANVHXCFN-UHFFFAOYSA-N -1 3 383.466 3.915 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccsc1 ZINC001185345323 913826109 /nfs/dbraw/zinc/82/61/09/913826109.db2.gz MLSNKQCLAAWYEK-LBPRGKRZSA-N -1 3 378.466 3.640 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c2ccccn2)c1 ZINC000129834832 894004826 /nfs/dbraw/zinc/00/48/26/894004826.db2.gz WSRLZGJNVDVKAA-LJQANCHMSA-N -1 3 392.402 3.875 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000934904029 894028206 /nfs/dbraw/zinc/02/82/06/894028206.db2.gz UGBDTUXAANPKBA-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000934904029 894028224 /nfs/dbraw/zinc/02/82/24/894028224.db2.gz UGBDTUXAANPKBA-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(C[C@@H]1CC(=O)Nc2ccccc21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000935019232 894123799 /nfs/dbraw/zinc/12/37/99/894123799.db2.gz UMMKROOLGLTTRM-ZDUSSCGKSA-N -1 3 378.350 3.769 20 0 GHADHM CN(C)c1ccc(C2(C(=O)Nc3cc(Br)ccc3[O-])CC2)cc1 ZINC000815877542 894269410 /nfs/dbraw/zinc/26/94/10/894269410.db2.gz VYSOCZZQZLUKOK-UHFFFAOYSA-N -1 3 375.266 3.891 20 0 GHADHM COC(=O)C12CCC(C(=O)[N-]OCc3ccc(C(F)(F)F)cc3)(CC1)CC2 ZINC000815850015 894272915 /nfs/dbraw/zinc/27/29/15/894272915.db2.gz UYOFFRAGLVOHQR-UHFFFAOYSA-N -1 3 385.382 3.767 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(O)(c3ccccc3Cl)CC2)o1 ZINC000878513746 894351459 /nfs/dbraw/zinc/35/14/59/894351459.db2.gz HDWHCUCWXVZPHG-UHFFFAOYSA-N -1 3 385.851 3.579 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)c[n-]1 ZINC000815999915 894381333 /nfs/dbraw/zinc/38/13/33/894381333.db2.gz VSXYRLNEQQEISS-VIFPVBQESA-N -1 3 395.337 3.625 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c1[O-] ZINC000564072634 894546555 /nfs/dbraw/zinc/54/65/55/894546555.db2.gz CWHARGWUIDDOKQ-UHFFFAOYSA-N -1 3 382.395 3.690 20 0 GHADHM Cc1csc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000564092856 894584893 /nfs/dbraw/zinc/58/48/93/894584893.db2.gz NNMRNXWIMDLUNW-UONOGXRCSA-N -1 3 381.295 3.514 20 0 GHADHM COC(=O)Cc1occ(C)c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000564133032 894635841 /nfs/dbraw/zinc/63/58/41/894635841.db2.gz BTQMMLVRLBGFSO-UHFFFAOYSA-N -1 3 389.458 3.559 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnnc(-c2ccccc2)c1 ZINC000564137966 894640221 /nfs/dbraw/zinc/64/02/21/894640221.db2.gz QLDAUHKPTQWXFM-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM Cc1ccc(Br)cc1C[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000564308728 894846523 /nfs/dbraw/zinc/84/65/23/894846523.db2.gz VLBAMZPHJSMWDP-QFIPXVFZSA-N -1 3 381.295 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3c(F)ccc([O-])c3F)C2)CC1 ZINC000816602500 894963466 /nfs/dbraw/zinc/96/34/66/894963466.db2.gz ACWVEMIPAHLYDE-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c1[O-] ZINC000816620628 894980555 /nfs/dbraw/zinc/98/05/55/894980555.db2.gz DBGIKBBHJZGEOU-UHFFFAOYSA-N -1 3 382.347 3.832 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000537436387 894984102 /nfs/dbraw/zinc/98/41/02/894984102.db2.gz QHTQDTIKJYYLLE-CHWSQXEVSA-N -1 3 383.407 3.717 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000816980007 895237531 /nfs/dbraw/zinc/23/75/31/895237531.db2.gz CLVYIRXIKVFELL-IRXDYDNUSA-N -1 3 398.503 3.795 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CF)c(Cl)cc1Cl ZINC000817126931 895346701 /nfs/dbraw/zinc/34/67/01/895346701.db2.gz RCNULIYJFBRFCO-UWVGGRQHSA-N -1 3 399.315 3.548 20 0 GHADHM O=C(NCCSc1ccc(Cl)cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001135889448 895541401 /nfs/dbraw/zinc/54/14/01/895541401.db2.gz JGAMODDBCYTLJV-UHFFFAOYSA-N -1 3 394.830 3.982 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)(C)C)coc1C(=O)N(C)C ZINC000645592958 913983264 /nfs/dbraw/zinc/98/32/64/913983264.db2.gz QCMVKOAQGGNXFS-GOSISDBHSA-N -1 3 392.521 3.664 20 0 GHADHM O=C([N-]c1ccc2c(c1F)CCNC2=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000565427175 895616682 /nfs/dbraw/zinc/61/66/82/895616682.db2.gz NSVKKYRIUFHVEP-UHFFFAOYSA-N -1 3 385.782 3.672 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC2CCCC2)c2ccccc2)s1 ZINC000565428005 895617048 /nfs/dbraw/zinc/61/70/48/895617048.db2.gz SZXVPGNJYTYYJA-MRXNPFEDSA-N -1 3 393.534 3.701 20 0 GHADHM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001185605519 913986685 /nfs/dbraw/zinc/98/66/85/913986685.db2.gz XGWFWETZAYFQHN-UHFFFAOYSA-N -1 3 391.884 3.618 20 0 GHADHM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001185605519 913986688 /nfs/dbraw/zinc/98/66/88/913986688.db2.gz XGWFWETZAYFQHN-UHFFFAOYSA-N -1 3 391.884 3.618 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 ZINC000774904622 913991767 /nfs/dbraw/zinc/99/17/67/913991767.db2.gz HKUOCGHCZLLMMK-FMQWLBJXSA-N -1 3 379.865 3.535 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1C ZINC000565519956 895695084 /nfs/dbraw/zinc/69/50/84/895695084.db2.gz UKSYWNLDGXREIK-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001185616643 913993330 /nfs/dbraw/zinc/99/33/30/913993330.db2.gz FXPUFMSOBBQBCY-UHFFFAOYSA-N -1 3 382.273 3.843 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826178140 895809267 /nfs/dbraw/zinc/80/92/67/895809267.db2.gz LOGFSVWQZDACDG-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826178140 895809277 /nfs/dbraw/zinc/80/92/77/895809277.db2.gz LOGFSVWQZDACDG-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM O=C(NCCCCOc1ccc(F)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136113464 896031200 /nfs/dbraw/zinc/03/12/00/896031200.db2.gz KUIOTNBUOOTMRZ-UHFFFAOYSA-N -1 3 388.826 3.910 20 0 GHADHM CSc1ccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826230718 896560150 /nfs/dbraw/zinc/56/01/50/896560150.db2.gz HDJBBIYVNFYSSG-UHFFFAOYSA-N -1 3 391.504 3.626 20 0 GHADHM CSc1ccc(N(C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230718 896560158 /nfs/dbraw/zinc/56/01/58/896560158.db2.gz HDJBBIYVNFYSSG-UHFFFAOYSA-N -1 3 391.504 3.626 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(OCC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826237886 896591979 /nfs/dbraw/zinc/59/19/79/896591979.db2.gz OWDKHIYEHIILRU-UHFFFAOYSA-N -1 3 390.919 3.789 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(OCC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826237886 896591991 /nfs/dbraw/zinc/59/19/91/896591991.db2.gz OWDKHIYEHIILRU-UHFFFAOYSA-N -1 3 390.919 3.789 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cc1Br ZINC001136216148 896651700 /nfs/dbraw/zinc/65/17/00/896651700.db2.gz ZFNLWAYEOMAONX-SNVBAGLBSA-N -1 3 382.229 3.722 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(Oc2nccs2)c1 ZINC000826254584 896741284 /nfs/dbraw/zinc/74/12/84/896741284.db2.gz RUDQEFHEXSIHLB-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(Oc2nccs2)c1 ZINC000826254584 896741290 /nfs/dbraw/zinc/74/12/90/896741290.db2.gz RUDQEFHEXSIHLB-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM CC(=O)c1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000025267632 896814380 /nfs/dbraw/zinc/81/43/80/896814380.db2.gz ORQDJCNTQKNVJV-VIFPVBQESA-N -1 3 376.459 3.784 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1ccccc1Cl ZINC000826278601 896865460 /nfs/dbraw/zinc/86/54/60/896865460.db2.gz KZUNGYPOTUTJKM-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1ccccc1Cl ZINC000826278601 896865470 /nfs/dbraw/zinc/86/54/70/896865470.db2.gz KZUNGYPOTUTJKM-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1O ZINC000826282195 896865557 /nfs/dbraw/zinc/86/55/57/896865557.db2.gz CDRDUSLFVJETIM-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826286677 896907264 /nfs/dbraw/zinc/90/72/64/896907264.db2.gz LTWARKWIIVSIPK-OAHLLOKOSA-N -1 3 387.443 3.855 20 0 GHADHM Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826286677 896907274 /nfs/dbraw/zinc/90/72/74/896907274.db2.gz LTWARKWIIVSIPK-OAHLLOKOSA-N -1 3 387.443 3.855 20 0 GHADHM Cc1ccc(CC(=O)OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3C)CC2)o1 ZINC000826286872 896940825 /nfs/dbraw/zinc/94/08/25/896940825.db2.gz UEPPSZRWOQBCQM-UHFFFAOYSA-N -1 3 395.463 3.586 20 0 GHADHM COC(=O)c1cc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc2o1 ZINC000567224153 896985961 /nfs/dbraw/zinc/98/59/61/896985961.db2.gz JYESSWQEMYUDFO-UHFFFAOYSA-N -1 3 394.358 3.761 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826290883 896992040 /nfs/dbraw/zinc/99/20/40/896992040.db2.gz FIGRELOKKVOGNG-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826290883 896992044 /nfs/dbraw/zinc/99/20/44/896992044.db2.gz FIGRELOKKVOGNG-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1[O-] ZINC000819822758 897030835 /nfs/dbraw/zinc/03/08/35/897030835.db2.gz CIMWBCUEUOOQGD-GOSISDBHSA-N -1 3 398.459 3.669 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@]1(C)OCCc2sccc21 ZINC000567284601 897035697 /nfs/dbraw/zinc/03/56/97/897035697.db2.gz SGGAOQRWGJMJGH-SFHVURJKSA-N -1 3 395.477 3.708 20 0 GHADHM COc1nsc(OC)c1C(=O)[N-]c1ncc(Cc2ccc(F)cc2)s1 ZINC001136303527 897162752 /nfs/dbraw/zinc/16/27/52/897162752.db2.gz YTZZBYOEUHWLAK-UHFFFAOYSA-N -1 3 379.438 3.599 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339223 897279243 /nfs/dbraw/zinc/27/92/43/897279243.db2.gz ACELZYXMSARCGD-YRNRMSPPSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339223 897279256 /nfs/dbraw/zinc/27/92/56/897279256.db2.gz ACELZYXMSARCGD-YRNRMSPPSA-N -1 3 390.491 3.590 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826306964 897367187 /nfs/dbraw/zinc/36/71/87/897367187.db2.gz ROCDKZRZJHTHSE-UHFFFAOYSA-N -1 3 380.839 3.760 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826306964 897367199 /nfs/dbraw/zinc/36/71/99/897367199.db2.gz ROCDKZRZJHTHSE-UHFFFAOYSA-N -1 3 380.839 3.760 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826307822 897382508 /nfs/dbraw/zinc/38/25/08/897382508.db2.gz XNKNJTKUFAGFJR-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826307822 897382526 /nfs/dbraw/zinc/38/25/26/897382526.db2.gz XNKNJTKUFAGFJR-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccnc(N2CCC(Sc3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826310118 897439928 /nfs/dbraw/zinc/43/99/28/897439928.db2.gz LYKYRBMRINTOPV-UHFFFAOYSA-N -1 3 386.912 3.985 20 0 GHADHM Cc1ccnc(N2CCC(Sc3ccc(Cl)cc3)CC2)c1-c1nn[n-]n1 ZINC000826310118 897439936 /nfs/dbraw/zinc/43/99/36/897439936.db2.gz LYKYRBMRINTOPV-UHFFFAOYSA-N -1 3 386.912 3.985 20 0 GHADHM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000289379814 914165562 /nfs/dbraw/zinc/16/55/62/914165562.db2.gz OGOVMGGKCOQNKC-IFXJQAMLSA-N -1 3 383.492 3.740 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000820741623 897527544 /nfs/dbraw/zinc/52/75/44/897527544.db2.gz DUXAHEZIZWBDBT-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000820741623 897527560 /nfs/dbraw/zinc/52/75/60/897527560.db2.gz DUXAHEZIZWBDBT-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(-c2ccccc2)s1 ZINC000826323948 897598290 /nfs/dbraw/zinc/59/82/90/897598290.db2.gz YSMMXNWTQGIVMI-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(-c2ccccc2)s1 ZINC000826323948 897598303 /nfs/dbraw/zinc/59/83/03/897598303.db2.gz YSMMXNWTQGIVMI-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826322371 897606811 /nfs/dbraw/zinc/60/68/11/897606811.db2.gz JXDJXWWKALGWKU-SNVBAGLBSA-N -1 3 398.423 3.684 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826322371 897606819 /nfs/dbraw/zinc/60/68/19/897606819.db2.gz JXDJXWWKALGWKU-SNVBAGLBSA-N -1 3 398.423 3.684 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826323213 897608571 /nfs/dbraw/zinc/60/85/71/897608571.db2.gz VGKASIAYCANLBL-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826323213 897608578 /nfs/dbraw/zinc/60/85/78/897608578.db2.gz VGKASIAYCANLBL-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])NC1(c2cccnc2)CC1 ZINC001185936557 914179271 /nfs/dbraw/zinc/17/92/71/914179271.db2.gz FABHMTXJBFKJFH-UHFFFAOYSA-N -1 3 395.503 3.663 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000568274576 897707853 /nfs/dbraw/zinc/70/78/53/897707853.db2.gz HDHIZMQIZKSQMF-DOMZBBRYSA-N -1 3 382.382 3.547 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821049291 897712870 /nfs/dbraw/zinc/71/28/70/897712870.db2.gz KFMRIJACQAYWEH-MRXNPFEDSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821049291 897712880 /nfs/dbraw/zinc/71/28/80/897712880.db2.gz KFMRIJACQAYWEH-MRXNPFEDSA-N -1 3 395.463 3.929 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@H](OC(C)C)c2ccccc2)c1 ZINC000821186981 897753213 /nfs/dbraw/zinc/75/32/13/897753213.db2.gz XCDNCUDRMHMNRP-SIBVEZHUSA-N -1 3 376.474 3.512 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C)cc1C ZINC000821230761 897795750 /nfs/dbraw/zinc/79/57/50/897795750.db2.gz QJIBAAOIRPTOSN-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C)cc1C ZINC000821230761 897795752 /nfs/dbraw/zinc/79/57/52/897795752.db2.gz QJIBAAOIRPTOSN-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000821407371 897864232 /nfs/dbraw/zinc/86/42/32/897864232.db2.gz ROHHIDUARVRJGA-UHFFFAOYSA-N -1 3 390.447 3.626 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000821407371 897864235 /nfs/dbraw/zinc/86/42/35/897864235.db2.gz ROHHIDUARVRJGA-UHFFFAOYSA-N -1 3 390.447 3.626 20 0 GHADHM COc1ccc([C@H](NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)C2CC2)cc1 ZINC000028752420 897884396 /nfs/dbraw/zinc/88/43/96/897884396.db2.gz CDBBIHVGHHKXNU-MRXNPFEDSA-N -1 3 397.258 3.754 20 0 GHADHM COCCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H](C)c1ccccc1 ZINC001136454836 897900698 /nfs/dbraw/zinc/90/06/98/897900698.db2.gz MJWXGQGYKOKHPS-ZDUSSCGKSA-N -1 3 386.398 3.656 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(O)CCc3ccccc3)c2)n1 ZINC000282838338 897978785 /nfs/dbraw/zinc/97/87/85/897978785.db2.gz PGGACPUTHBDMDS-QHCPKHFHSA-N -1 3 391.471 3.734 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCCOCCc1ccccc1 ZINC000821699301 898034493 /nfs/dbraw/zinc/03/44/93/898034493.db2.gz KOVIIHUNUOQYOS-UHFFFAOYSA-N -1 3 388.855 3.557 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCCOCCc1ccccc1 ZINC000821699301 898034504 /nfs/dbraw/zinc/03/45/04/898034504.db2.gz KOVIIHUNUOQYOS-UHFFFAOYSA-N -1 3 388.855 3.557 20 0 GHADHM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c2C1 ZINC000778661752 898081772 /nfs/dbraw/zinc/08/17/72/898081772.db2.gz KXRNPMGERJQXHT-UHFFFAOYSA-N -1 3 399.560 3.841 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1F)c1ccc2n[nH]cc2c1 ZINC001185991745 914219323 /nfs/dbraw/zinc/21/93/23/914219323.db2.gz ZRDBJBLAZBZLPA-UHFFFAOYSA-N -1 3 378.187 3.949 20 0 GHADHM FC(F)(F)[C@H](NCc1ccn(C2CCCC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367237 898151686 /nfs/dbraw/zinc/15/16/86/898151686.db2.gz QOFFDJQLMCQEOO-MRXNPFEDSA-N -1 3 391.401 3.572 20 0 GHADHM FC(F)(F)[C@H](NCc1ccn(C2CCCC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367237 898151695 /nfs/dbraw/zinc/15/16/95/898151695.db2.gz QOFFDJQLMCQEOO-MRXNPFEDSA-N -1 3 391.401 3.572 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289554945 914236645 /nfs/dbraw/zinc/23/66/45/914236645.db2.gz QKXONAHREMSKMK-NSHDSACASA-N -1 3 377.794 3.571 20 0 GHADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000822242540 898265405 /nfs/dbraw/zinc/26/54/05/898265405.db2.gz OQGAVXKNZWGTPJ-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000822427767 898364949 /nfs/dbraw/zinc/36/49/49/898364949.db2.gz UEQZARPYJIZXHH-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000822427767 898364966 /nfs/dbraw/zinc/36/49/66/898364966.db2.gz UEQZARPYJIZXHH-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000800068885 898553413 /nfs/dbraw/zinc/55/34/13/898553413.db2.gz BWYURYBEYBWIQM-ZWLSGLHFSA-N -1 3 391.399 3.666 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1ccc2ccccc2c1 ZINC000800107819 898608186 /nfs/dbraw/zinc/60/81/86/898608186.db2.gz VKFGCTNKPISAPP-DRUFCSCSSA-N -1 3 399.443 3.783 20 0 GHADHM O=c1nc(Cc2noc(Cc3ccc([O-])c(F)c3)n2)[nH]c2scc(C3CC3)c21 ZINC000569437961 898661458 /nfs/dbraw/zinc/66/14/58/898661458.db2.gz DDSMVEROMVYNMV-UHFFFAOYSA-N -1 3 398.419 3.684 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000800206656 898741693 /nfs/dbraw/zinc/74/16/93/898741693.db2.gz FZEDOENAKIWVKY-FQEVSTJZSA-N -1 3 392.459 3.553 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000800206656 898741700 /nfs/dbraw/zinc/74/17/00/898741700.db2.gz FZEDOENAKIWVKY-FQEVSTJZSA-N -1 3 392.459 3.553 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000800206656 898741710 /nfs/dbraw/zinc/74/17/10/898741710.db2.gz FZEDOENAKIWVKY-FQEVSTJZSA-N -1 3 392.459 3.553 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cccc3nn[n-]c32)c(C)n1Cc1cccs1 ZINC000800209939 898744650 /nfs/dbraw/zinc/74/46/50/898744650.db2.gz HCFOKXDTUKRKHC-UHFFFAOYSA-N -1 3 394.456 3.526 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cccc3[n-]nnc32)c(C)n1Cc1cccs1 ZINC000800209939 898744660 /nfs/dbraw/zinc/74/46/60/898744660.db2.gz HCFOKXDTUKRKHC-UHFFFAOYSA-N -1 3 394.456 3.526 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cccc3n[n-]nc32)c(C)n1Cc1cccs1 ZINC000800209939 898744674 /nfs/dbraw/zinc/74/46/74/898744674.db2.gz HCFOKXDTUKRKHC-UHFFFAOYSA-N -1 3 394.456 3.526 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974270 898768256 /nfs/dbraw/zinc/76/82/56/898768256.db2.gz DZNJZCTYQXJBKV-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974270 898768271 /nfs/dbraw/zinc/76/82/71/898768271.db2.gz DZNJZCTYQXJBKV-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Br)ccc1Cl ZINC000823343847 898975564 /nfs/dbraw/zinc/97/55/64/898975564.db2.gz IZHGYTULXVOCPB-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Br)ccc1Cl ZINC000823343847 898975569 /nfs/dbraw/zinc/97/55/69/898975569.db2.gz IZHGYTULXVOCPB-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823357708 898982160 /nfs/dbraw/zinc/98/21/60/898982160.db2.gz ZJOIKGVWRBIYHV-UHFFFAOYSA-N -1 3 396.410 3.851 20 0 GHADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823357708 898982164 /nfs/dbraw/zinc/98/21/64/898982164.db2.gz ZJOIKGVWRBIYHV-UHFFFAOYSA-N -1 3 396.410 3.851 20 0 GHADHM O=C(c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1)N1CCCCC1 ZINC000823487532 899058880 /nfs/dbraw/zinc/05/88/80/899058880.db2.gz DOZWGYBRTNRFNU-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000823487532 899058896 /nfs/dbraw/zinc/05/88/96/899058896.db2.gz DOZWGYBRTNRFNU-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC001136728696 899063176 /nfs/dbraw/zinc/06/31/76/899063176.db2.gz IRZQBHLYHABESJ-NRFANRHFSA-N -1 3 377.396 3.649 20 0 GHADHM Cc1nn(C)c(Cl)c1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000114714777 899111886 /nfs/dbraw/zinc/11/18/86/899111886.db2.gz LRTQXEPHJNZBGY-UHFFFAOYSA-N -1 3 397.306 3.592 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(Cl)sc1Cl ZINC000646202067 914320274 /nfs/dbraw/zinc/32/02/74/914320274.db2.gz FTQQXGSSEYMERY-SFYZADRCSA-N -1 3 388.276 3.549 20 0 GHADHM Brc1ccc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nnn[n-]2)c1 ZINC000823832330 899271091 /nfs/dbraw/zinc/27/10/91/899271091.db2.gz MKKNGNFACMWLSF-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM Brc1ccc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nn[n-]n2)c1 ZINC000823832330 899271104 /nfs/dbraw/zinc/27/11/04/899271104.db2.gz MKKNGNFACMWLSF-UHFFFAOYSA-N -1 3 395.264 3.673 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)ccc1OC(C)C ZINC000116711992 899304616 /nfs/dbraw/zinc/30/46/16/899304616.db2.gz COMRJXCWGAGFGE-RUZDIDTESA-N -1 3 395.546 3.770 20 0 GHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824243418 899489430 /nfs/dbraw/zinc/48/94/30/899489430.db2.gz FUUCWJUAEAHNIN-STQMWFEESA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824243418 899489435 /nfs/dbraw/zinc/48/94/35/899489435.db2.gz FUUCWJUAEAHNIN-STQMWFEESA-N -1 3 380.290 3.635 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c([O-])c1 ZINC000332318668 899570701 /nfs/dbraw/zinc/57/07/01/899570701.db2.gz NFJJZBUBQRAJEA-ZDUSSCGKSA-N -1 3 381.398 3.727 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824391428 899580636 /nfs/dbraw/zinc/58/06/36/899580636.db2.gz ITQYKJCHCUCBPJ-MEDUHNTESA-N -1 3 388.269 3.553 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824391428 899580641 /nfs/dbraw/zinc/58/06/41/899580641.db2.gz ITQYKJCHCUCBPJ-MEDUHNTESA-N -1 3 388.269 3.553 20 0 GHADHM C[C@H](NC(=O)Cc1ccccc1O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479135 899624380 /nfs/dbraw/zinc/62/43/80/899624380.db2.gz LNBPGQWFXDRFDP-HNNXBMFYSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@H](NC(=O)Cc1ccccc1O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479135 899624387 /nfs/dbraw/zinc/62/43/87/899624387.db2.gz LNBPGQWFXDRFDP-HNNXBMFYSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)N1C2CCC1CC2)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490471 899635197 /nfs/dbraw/zinc/63/51/97/899635197.db2.gz PYIYDHMXPICSJM-WPUWVODUSA-N -1 3 388.475 3.931 20 0 GHADHM C[C@@H](NC(=O)N1C2CCC1CC2)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490471 899635203 /nfs/dbraw/zinc/63/52/03/899635203.db2.gz PYIYDHMXPICSJM-WPUWVODUSA-N -1 3 388.475 3.931 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Br)ccc1OC(F)(F)F ZINC000824461462 899644601 /nfs/dbraw/zinc/64/46/01/899644601.db2.gz WMLKWHDQHIYVFJ-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Br)ccc1OC(F)(F)F ZINC000824461462 899644608 /nfs/dbraw/zinc/64/46/08/899644608.db2.gz WMLKWHDQHIYVFJ-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000332536657 899745707 /nfs/dbraw/zinc/74/57/07/899745707.db2.gz UUNYRSPWORKBMW-GJZGRUSLSA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000332536667 899746254 /nfs/dbraw/zinc/74/62/54/899746254.db2.gz UUNYRSPWORKBMW-LSDHHAIUSA-N -1 3 390.480 3.887 20 0 GHADHM C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712751 899781692 /nfs/dbraw/zinc/78/16/92/899781692.db2.gz CPCGVZALLIVLPQ-LLVKDONJSA-N -1 3 391.353 3.602 20 0 GHADHM C[C@@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712751 899781699 /nfs/dbraw/zinc/78/16/99/899781699.db2.gz CPCGVZALLIVLPQ-LLVKDONJSA-N -1 3 391.353 3.602 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1=O ZINC000824867781 899844710 /nfs/dbraw/zinc/84/47/10/899844710.db2.gz RIQCDWFAKATCAY-UKRRQHHQSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1=O ZINC000824867781 899844717 /nfs/dbraw/zinc/84/47/17/899844717.db2.gz RIQCDWFAKATCAY-UKRRQHHQSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825012600 899935883 /nfs/dbraw/zinc/93/58/83/899935883.db2.gz KAQYSMQRUJDAMO-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825012600 899935889 /nfs/dbraw/zinc/93/58/89/899935889.db2.gz KAQYSMQRUJDAMO-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825038542 899946348 /nfs/dbraw/zinc/94/63/48/899946348.db2.gz FFAALOUFIQHMJK-KRWDZBQOSA-N -1 3 395.463 3.795 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825038542 899946353 /nfs/dbraw/zinc/94/63/53/899946353.db2.gz FFAALOUFIQHMJK-KRWDZBQOSA-N -1 3 395.463 3.795 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000825182020 900014260 /nfs/dbraw/zinc/01/42/60/900014260.db2.gz HHBWLGFFVBFKEB-VHKYSDTDSA-N -1 3 391.475 3.669 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000825182020 900014267 /nfs/dbraw/zinc/01/42/67/900014267.db2.gz HHBWLGFFVBFKEB-VHKYSDTDSA-N -1 3 391.475 3.669 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(OC)c([O-])c(OC)c2)[C@H](C)C2CC2)cc1 ZINC000572178595 900092469 /nfs/dbraw/zinc/09/24/69/900092469.db2.gz VVAJCRPEZZPWMD-CQSZACIVSA-N -1 3 385.460 3.859 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C3CCC3)C3CCC3)cs2)c1 ZINC000572230118 900111294 /nfs/dbraw/zinc/11/12/94/900111294.db2.gz LTDRHRATEROSHM-UHFFFAOYSA-N -1 3 399.516 3.886 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](CC2CC2)C1 ZINC000572554102 900218434 /nfs/dbraw/zinc/21/84/34/900218434.db2.gz KNTSAFGSZUDKHB-LBPRGKRZSA-N -1 3 375.266 3.553 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N[C@H]1CCCc2ccccc21 ZINC000826421105 900228545 /nfs/dbraw/zinc/22/85/45/900228545.db2.gz SAUPCCSIYMKRFD-HNNXBMFYSA-N -1 3 399.907 3.806 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N[C@H]1CCCc2ccccc21 ZINC000826421105 900228555 /nfs/dbraw/zinc/22/85/55/900228555.db2.gz SAUPCCSIYMKRFD-HNNXBMFYSA-N -1 3 399.907 3.806 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000884794905 900290278 /nfs/dbraw/zinc/29/02/78/900290278.db2.gz RADRHKBOOUKZNP-MRXNPFEDSA-N -1 3 394.487 3.617 20 0 GHADHM CC(=O)N(CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000884939888 900346766 /nfs/dbraw/zinc/34/67/66/900346766.db2.gz DBPAXJFYZAQHLF-GFCCVEGCSA-N -1 3 399.472 3.671 20 0 GHADHM CCCCc1ncc(CN(C)[C@H]2CC[C@H](O)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748208 900473589 /nfs/dbraw/zinc/47/35/89/900473589.db2.gz NQFBGGPXUYHYGX-XUTJKUGGSA-N -1 3 399.535 3.708 20 0 GHADHM O=C(Nc1cc([O-])cc(Cl)c1)[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001143859271 900617391 /nfs/dbraw/zinc/61/73/91/900617391.db2.gz KCMNPTJRBBIFPW-QGZVFWFLSA-N -1 3 381.259 3.711 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826453024 900622010 /nfs/dbraw/zinc/62/20/10/900622010.db2.gz SHHBLMRDSNDPGS-HNNXBMFYSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826453024 900622017 /nfs/dbraw/zinc/62/20/17/900622017.db2.gz SHHBLMRDSNDPGS-HNNXBMFYSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Br)c1Cl ZINC000826453930 900625653 /nfs/dbraw/zinc/62/56/53/900625653.db2.gz DSPNMRKVYTWIIZ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Br)c1Cl ZINC000826453930 900625659 /nfs/dbraw/zinc/62/56/59/900625659.db2.gz DSPNMRKVYTWIIZ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC(C)(C)Sc1c(Br)cccc1CNCCOCC(=O)[O-] ZINC000844289387 900679246 /nfs/dbraw/zinc/67/92/46/900679246.db2.gz CGBKJSHMFJSSHW-UHFFFAOYSA-N -1 3 376.316 3.531 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Cl)c3cccnc23)cc1 ZINC000046235090 900758326 /nfs/dbraw/zinc/75/83/26/900758326.db2.gz VTPSFFLQNDHBME-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM CCN(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CCC(C(=O)[O-])CC1 ZINC000574292846 900843680 /nfs/dbraw/zinc/84/36/80/900843680.db2.gz SYNCGOBLQZRMMR-UHFFFAOYSA-N -1 3 385.483 3.965 20 0 GHADHM O=C1[C@H](Sc2cccc(Cl)c2-c2nnn[n-]2)CCCN1Cc1ccccc1 ZINC000826478270 900881981 /nfs/dbraw/zinc/88/19/81/900881981.db2.gz YBMGJZVNYCRROS-MRXNPFEDSA-N -1 3 399.907 3.803 20 0 GHADHM O=C1[C@H](Sc2cccc(Cl)c2-c2nn[n-]n2)CCCN1Cc1ccccc1 ZINC000826478270 900881995 /nfs/dbraw/zinc/88/19/95/900881995.db2.gz YBMGJZVNYCRROS-MRXNPFEDSA-N -1 3 399.907 3.803 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1c[nH]nc1-c1ccccn1 ZINC000574847943 901036396 /nfs/dbraw/zinc/03/63/96/901036396.db2.gz NBKIDJAIWDGJBA-UHFFFAOYSA-N -1 3 399.241 3.843 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000068832748 901098397 /nfs/dbraw/zinc/09/83/97/901098397.db2.gz PAANYKMCSTUCIB-FXAWDEMLSA-N -1 3 396.535 3.794 20 0 GHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OCc1ccccc1 ZINC001144131606 901139129 /nfs/dbraw/zinc/13/91/29/901139129.db2.gz NXDUIORBTDINOF-KRWDZBQOSA-N -1 3 389.451 3.845 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3-c3ccccc32)ccc1F ZINC001144212115 901264555 /nfs/dbraw/zinc/26/45/55/901264555.db2.gz LRFVDJRDOIFVOW-UHFFFAOYSA-N -1 3 396.443 3.561 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)N3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)n2)cc1 ZINC000575809540 901328216 /nfs/dbraw/zinc/32/82/16/901328216.db2.gz WYQXQZDDODYHPI-NIKGAXFTSA-N -1 3 393.443 3.606 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)cc1 ZINC000091925665 901462353 /nfs/dbraw/zinc/46/23/53/901462353.db2.gz FTVPZDLUPIMPKD-UHFFFAOYSA-N -1 3 380.444 3.679 20 0 GHADHM CCN(C(=O)COC(=O)c1ccc(N)c(Cl)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000845195260 901932519 /nfs/dbraw/zinc/93/25/19/901932519.db2.gz VRXWTFHLOMHDKP-NSHDSACASA-N -1 3 394.830 3.533 20 0 GHADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001186462168 914588589 /nfs/dbraw/zinc/58/85/89/914588589.db2.gz XDQFSOTUAUBAPW-AWEZNQCLSA-N -1 3 386.286 3.888 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C[C@H]3CCCO3)C(F)(F)F)c2)n1 ZINC000845475070 902191295 /nfs/dbraw/zinc/19/12/95/902191295.db2.gz DHUUCAMVVRJFDM-HIFRSBDPSA-N -1 3 396.365 3.811 20 0 GHADHM CCCCCOc1ccc(C(=O)CCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001144503446 902283667 /nfs/dbraw/zinc/28/36/67/902283667.db2.gz XEXDZIRTYBRKSG-QGZVFWFLSA-N -1 3 399.491 3.663 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000159040441 902483074 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Cc1ccc(C(=O)NC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000633901421 908528205 /nfs/dbraw/zinc/52/82/05/908528205.db2.gz KVRKBOYGHGUQMX-UHFFFAOYSA-N -1 3 398.478 3.583 20 0 GHADHM O=C(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001177430496 908588289 /nfs/dbraw/zinc/58/82/89/908588289.db2.gz PGQLSCAHLSDQGV-YJBOKZPZSA-N -1 3 379.378 3.823 20 0 GHADHM O=C(Cc1ccnc(C(F)(F)F)c1)Nc1cc(Br)ccc1[O-] ZINC001177567932 908645800 /nfs/dbraw/zinc/64/58/00/908645800.db2.gz MNSUFTKUWZWUCP-UHFFFAOYSA-N -1 3 375.144 3.750 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001177644624 908699333 /nfs/dbraw/zinc/69/93/33/908699333.db2.gz GJNWOBIVJMCVFZ-UHFFFAOYSA-N -1 3 383.492 3.833 20 0 GHADHM O=c1nc(CN2CCO[C@@H](C(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000634755452 908820167 /nfs/dbraw/zinc/82/01/67/908820167.db2.gz ZJVJANDPIGVQTG-GFCCVEGCSA-N -1 3 381.404 3.513 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000266306524 909071578 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COc1ccc2sc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)c(C)c2c1 ZINC000636318904 909537968 /nfs/dbraw/zinc/53/79/68/909537968.db2.gz DLNANWCYRQWHJP-UHFFFAOYSA-N -1 3 383.473 3.911 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Cl)cc1Br ZINC000636319537 909539101 /nfs/dbraw/zinc/53/91/01/909539101.db2.gz QVOKWSMRYJZXQQ-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)cc1 ZINC000636320913 909541744 /nfs/dbraw/zinc/54/17/44/909541744.db2.gz VIVRXTQYABZRCD-LLVKDONJSA-N -1 3 390.281 3.632 20 0 GHADHM Nc1c(Cl)c(F)cc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1Cl ZINC000636359796 909563475 /nfs/dbraw/zinc/56/34/75/909563475.db2.gz PBCVLTBGWXUFIJ-SSDOTTSWSA-N -1 3 377.228 3.670 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@]1(C)C1CCCCC1 ZINC000636387007 909566953 /nfs/dbraw/zinc/56/69/53/909566953.db2.gz RTNXIQHRBVWCCQ-QHCPKHFHSA-N -1 3 394.519 3.644 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@@H](C)[C@@H]3C)c2)c1 ZINC000267874932 909678725 /nfs/dbraw/zinc/67/87/25/909678725.db2.gz REXANQSTMMADDX-KGLIPLIRSA-N -1 3 398.459 3.532 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCOC2)c(OCc2ccccc2)c1 ZINC000795301405 909780153 /nfs/dbraw/zinc/78/01/53/909780153.db2.gz YEQMBQGXHHAEKQ-GOSISDBHSA-N -1 3 375.490 3.742 20 0 GHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000268180809 909789259 /nfs/dbraw/zinc/78/92/59/909789259.db2.gz LDSHEDPPCWFANC-UHFFFAOYSA-N -1 3 394.349 3.762 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(C2CCOCC2)cc1 ZINC000637375957 909798267 /nfs/dbraw/zinc/79/82/67/909798267.db2.gz AUPSDUCKDGTYEA-UHFFFAOYSA-N -1 3 387.789 3.667 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC001179997458 909862502 /nfs/dbraw/zinc/86/25/02/909862502.db2.gz NDXNTESDGULCMD-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001180207519 910009915 /nfs/dbraw/zinc/00/99/15/910009915.db2.gz VTDNPYJSPGVSHB-UHFFFAOYSA-N -1 3 376.815 3.676 20 0 GHADHM COc1cc(CN[C@H](CC(F)(F)F)C(=O)[O-])ccc1OCc1cccs1 ZINC000901778105 921555847 /nfs/dbraw/zinc/55/58/47/921555847.db2.gz FCLOAAXUJKSJLI-CYBMUJFWSA-N -1 3 389.395 3.831 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)c([O-])c2)Cc2ccccc2C1 ZINC001180773653 910355353 /nfs/dbraw/zinc/35/53/53/910355353.db2.gz BZTWZPWWXZAGBK-UHFFFAOYSA-N -1 3 386.423 3.532 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cnn(Cc2ccccc2)c1Cl ZINC000795462373 910455793 /nfs/dbraw/zinc/45/57/93/910455793.db2.gz VHRZSNHMIIMQMY-UHFFFAOYSA-N -1 3 385.836 3.949 20 0 GHADHM CN(Cc1cccc(Cl)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640290064 910951164 /nfs/dbraw/zinc/95/11/64/910951164.db2.gz KFSHCCFYRCETLE-UHFFFAOYSA-N -1 3 381.185 3.838 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c2ccccc2O1 ZINC000640298432 910958995 /nfs/dbraw/zinc/95/89/95/910958995.db2.gz NNSYBMBBXGKSOQ-BXKDBHETSA-N -1 3 388.777 3.555 20 0 GHADHM COc1ccc([C@H](NCc2sc3nc(C)nc(C)c3c2C)C(=O)[O-])cc1F ZINC000901862082 921652049 /nfs/dbraw/zinc/65/20/49/921652049.db2.gz RFGWOVOPIMMEHN-KRWDZBQOSA-N -1 3 389.452 3.680 20 0 GHADHM Cc1ccnc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1Br ZINC000901871318 921667037 /nfs/dbraw/zinc/66/70/37/921667037.db2.gz FCOHOPRDMXRXOO-HIFRSBDPSA-N -1 3 377.282 3.574 20 0 GHADHM O=c1nc(CN2CCC[C@](O)(C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000956943572 911870634 /nfs/dbraw/zinc/87/06/34/911870634.db2.gz HHZPKEOXYZYWKG-MRXNPFEDSA-N -1 3 399.394 3.546 20 0 GHADHM CC(C)N(CC1CC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000543746265 911881485 /nfs/dbraw/zinc/88/14/85/911881485.db2.gz XKMHQADEEKZVCN-OAQYLSRUSA-N -1 3 380.488 3.900 20 0 GHADHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ncccc1C(F)(F)F ZINC000093277022 912152982 /nfs/dbraw/zinc/15/29/82/912152982.db2.gz LQSFZXDHRJNULV-UHFFFAOYSA-N -1 3 388.773 3.635 20 0 GHADHM C[C@@H](N[C@@H]1CCc2cc(Br)ccc2C1)c1ncc(C(=O)[O-])s1 ZINC000901910828 921726930 /nfs/dbraw/zinc/72/69/30/921726930.db2.gz JDRIBJZHSWTJHO-NOZJJQNGSA-N -1 3 381.295 3.812 20 0 GHADHM O=C([O-])[C@]12CN(Cc3cn(-c4ccc(Cl)cc4Cl)nn3)C[C@H]1CCCC2 ZINC000901912264 921728367 /nfs/dbraw/zinc/72/83/67/921728367.db2.gz RXVFILPNLVYQPI-KZULUSFZSA-N -1 3 395.290 3.651 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1)C1CCOCC1 ZINC000647122821 915038006 /nfs/dbraw/zinc/03/80/06/915038006.db2.gz ZBRIIMMIAHJSNK-FQEVSTJZSA-N -1 3 389.473 3.769 20 0 GHADHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000291417217 915168043 /nfs/dbraw/zinc/16/80/43/915168043.db2.gz KESIXYOGXWNZDU-GFCCVEGCSA-N -1 3 396.896 3.516 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2Cl)cc1 ZINC001187431186 915288004 /nfs/dbraw/zinc/28/80/04/915288004.db2.gz COOZDQCTKPNKOU-UHFFFAOYSA-N -1 3 386.832 3.626 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187775168 915487609 /nfs/dbraw/zinc/48/76/09/915487609.db2.gz ZULOXZALLIIQHX-LBPRGKRZSA-N -1 3 379.386 3.836 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187775168 915487618 /nfs/dbraw/zinc/48/76/18/915487618.db2.gz ZULOXZALLIIQHX-LBPRGKRZSA-N -1 3 379.386 3.836 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2[n-]nnc2C(F)(F)F)cc1 ZINC001187762464 915509482 /nfs/dbraw/zinc/50/94/82/915509482.db2.gz GPKSHQMTCWGUDC-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM COc1ccccc1Oc1ccc(NC(=O)c2nn[n-]c2C(F)(F)F)cc1 ZINC001187762464 915509491 /nfs/dbraw/zinc/50/94/91/915509491.db2.gz GPKSHQMTCWGUDC-UHFFFAOYSA-N -1 3 378.310 3.877 20 0 GHADHM O=c1nc(CN2CCOC[C@H](C3CCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000292105218 915520131 /nfs/dbraw/zinc/52/01/31/915520131.db2.gz IKMXHFHFXSYCOZ-CQSZACIVSA-N -1 3 385.489 3.905 20 0 GHADHM CCCSc1nc(Cl)c([N-]S(=O)(=O)c2nccs2)c(Cl)n1 ZINC001187853937 915562099 /nfs/dbraw/zinc/56/20/99/915562099.db2.gz USMSFSUICHIOLA-UHFFFAOYSA-N -1 3 385.323 3.543 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](c1ccccc1F)C1CCCC1 ZINC001187958512 915646846 /nfs/dbraw/zinc/64/68/46/915646846.db2.gz HVVMWRRHFCFYER-ROUUACIJSA-N -1 3 385.501 3.708 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cccc(COc2ccccc2)c1 ZINC001187969144 915650318 /nfs/dbraw/zinc/65/03/18/915650318.db2.gz WURZURXBBUATGL-UHFFFAOYSA-N -1 3 387.395 3.872 20 0 GHADHM CC[C@@H](C)N1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686874 916004999 /nfs/dbraw/zinc/00/49/99/916004999.db2.gz RUVKXDFTZDIFGL-VLIAUNLRSA-N -1 3 378.900 3.689 20 0 GHADHM CC(C)N(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649063932 916006406 /nfs/dbraw/zinc/00/64/06/916006406.db2.gz NSUXKPZBNSALCI-CQSZACIVSA-N -1 3 379.913 3.627 20 0 GHADHM CC(C)N(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649063628 916007188 /nfs/dbraw/zinc/00/71/88/916007188.db2.gz IZBYKZYHHXRRRF-OAHLLOKOSA-N -1 3 392.421 3.935 20 0 GHADHM COC(=O)c1cc(Br)c(NC(=O)c2c(C)cccc2[O-])cc1OC ZINC001188649383 916077255 /nfs/dbraw/zinc/07/72/55/916077255.db2.gz YIFIBICYBYNTRR-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cnc(Cl)c(F)c1 ZINC001188655044 916080588 /nfs/dbraw/zinc/08/05/88/916080588.db2.gz WNDFGCJHHHJBTK-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc2C1)c1ccc(F)cc1C(F)(F)F ZINC001188690096 916113893 /nfs/dbraw/zinc/11/38/93/916113893.db2.gz SZKWFDIPQNOEGJ-LBPRGKRZSA-N -1 3 387.398 3.928 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC(C)(C)CC(C)(C)C2)c1F ZINC001188671998 916134001 /nfs/dbraw/zinc/13/40/01/916134001.db2.gz AGYNCOPSOWIPGX-UHFFFAOYSA-N -1 3 389.464 3.635 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCCC2)c1)c1ccc(Oc2cccnc2)cc1 ZINC001188859784 916235113 /nfs/dbraw/zinc/23/51/13/916235113.db2.gz NGXZNECJIVTQNI-UHFFFAOYSA-N -1 3 396.472 3.670 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)CCC2CCCC2)c(C(F)(F)F)c1 ZINC000649586371 916246454 /nfs/dbraw/zinc/24/64/54/916246454.db2.gz XDEYYEPWXDNMSA-UHFFFAOYSA-N -1 3 378.416 3.986 20 0 GHADHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1(C)C ZINC001188967461 916315077 /nfs/dbraw/zinc/31/50/77/916315077.db2.gz AODORZWWRRULPC-HZPDHXFCSA-N -1 3 380.535 3.681 20 0 GHADHM Cc1cc(NC([O-])=C(C[C@H]2CCCO2)C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000649901068 916510275 /nfs/dbraw/zinc/51/02/75/916510275.db2.gz FTCHGHKMKQHDFT-HZPDHXFCSA-N -1 3 381.398 3.597 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)ccc1-c1cnco1 ZINC001189311195 916542720 /nfs/dbraw/zinc/54/27/20/916542720.db2.gz XMMWZQYUTHAGEU-UHFFFAOYSA-N -1 3 380.372 3.570 20 0 GHADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(I)s2)CC1 ZINC001189322400 916553059 /nfs/dbraw/zinc/55/30/59/916553059.db2.gz YIGQRMASQDBRFT-UWVGGRQHSA-N -1 3 399.319 3.600 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189456208 916662424 /nfs/dbraw/zinc/66/24/24/916662424.db2.gz SBNGBHNIDCIARK-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000509457372 916809702 /nfs/dbraw/zinc/80/97/02/916809702.db2.gz JCLRLJVVMCEXKY-UHFFFAOYSA-N -1 3 378.819 3.710 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(CN2CCCCC2)o1 ZINC001189746358 916868387 /nfs/dbraw/zinc/86/83/87/916868387.db2.gz LDMIWSOSEKOJTD-UHFFFAOYSA-N -1 3 379.254 3.986 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccnn1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189775172 916909863 /nfs/dbraw/zinc/90/98/63/916909863.db2.gz RVUXAQFHMYTAQW-INIZCTEOSA-N -1 3 389.333 3.600 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc(C(F)(F)F)c1 ZINC001189814303 916939587 /nfs/dbraw/zinc/93/95/87/916939587.db2.gz LJYBYNNFOWZBIH-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000650423062 916974277 /nfs/dbraw/zinc/97/42/77/916974277.db2.gz HBGSNPCJLANNQV-UHFFFAOYSA-N -1 3 393.487 3.651 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000650505790 917042717 /nfs/dbraw/zinc/04/27/17/917042717.db2.gz QFQROULBDVPEOV-WMLDXEAASA-N -1 3 399.318 3.986 20 0 GHADHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1c[n-]c2ccccc2c1=O ZINC000362177210 917117071 /nfs/dbraw/zinc/11/70/71/917117071.db2.gz HXGOGHIPYBFXQT-UHFFFAOYSA-N -1 3 382.423 3.696 20 0 GHADHM O=C(NCCc1cccs1)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295218543 917212717 /nfs/dbraw/zinc/21/27/17/917212717.db2.gz BJGPQAOUMJLKGI-UHFFFAOYSA-N -1 3 378.925 3.678 20 0 GHADHM CO[C@](C)(C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccccc1 ZINC001190497046 917391331 /nfs/dbraw/zinc/39/13/31/917391331.db2.gz USTBWSZWBREBSI-LJQANCHMSA-N -1 3 388.514 3.650 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1ccccc1OC(F)(F)F ZINC001190685878 917514045 /nfs/dbraw/zinc/51/40/45/917514045.db2.gz OBGNGXAEKFNBEB-UHFFFAOYSA-N -1 3 388.273 3.861 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccncc1 ZINC001190916393 917661684 /nfs/dbraw/zinc/66/16/84/917661684.db2.gz RLQGPOCOEQBCCY-LBPRGKRZSA-N -1 3 384.301 3.682 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](c2nccn2C)c2ccccc2F)cc1 ZINC000363166406 917855492 /nfs/dbraw/zinc/85/54/92/917855492.db2.gz SHGVYXXLWUJQSE-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM C[C@@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000652496993 917913299 /nfs/dbraw/zinc/91/32/99/917913299.db2.gz IBVOVXQFROLVCD-LZQZEXGQSA-N -1 3 377.444 3.869 20 0 GHADHM COc1ccc(C[C@H]2CCCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000652851354 918032575 /nfs/dbraw/zinc/03/25/75/918032575.db2.gz YBWHPNOHPIICJW-QGZVFWFLSA-N -1 3 385.460 3.655 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(OC(F)(F)F)c2)CC1)c1cccnc1Cl ZINC001191849076 918264580 /nfs/dbraw/zinc/26/45/80/918264580.db2.gz SPUTYOKJKMQONL-UHFFFAOYSA-N -1 3 392.786 3.601 20 0 GHADHM COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001192189603 918484251 /nfs/dbraw/zinc/48/42/51/918484251.db2.gz PYWPYEIYTIOLIQ-UONOGXRCSA-N -1 3 390.233 3.684 20 0 GHADHM Cc1nc(NC(=O)[N-]OCC(C)(C)O)sc1Cc1ccc(Cl)cc1F ZINC000297229367 919165082 /nfs/dbraw/zinc/16/50/82/919165082.db2.gz WNMJRHAYGVRXAF-UHFFFAOYSA-N -1 3 387.864 3.659 20 0 GHADHM Cc1ccc(C)c(OCCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000015621540 919381493 /nfs/dbraw/zinc/38/14/93/919381493.db2.gz CPCMVJYXXHCBFH-UHFFFAOYSA-N -1 3 381.259 3.840 20 0 GHADHM O=C(CN1CCCc2ccccc21)N[N-]C(=O)c1sccc1-c1ccccc1 ZINC000015708349 919383239 /nfs/dbraw/zinc/38/32/39/919383239.db2.gz LWARHRKWXGLTNE-UHFFFAOYSA-N -1 3 391.496 3.629 20 0 GHADHM O=C([O-])C[C@@H](CNCc1c(F)ccc(F)c1Cl)c1ccc2c(c1)CCO2 ZINC000900064494 919793068 /nfs/dbraw/zinc/79/30/68/919793068.db2.gz MAVDZIWVMSIVJM-ZDUSSCGKSA-N -1 3 381.806 3.901 20 0 GHADHM COc1ccccc1-c1nc(COC(=O)c2cc(F)cc3[n-]nnc32)cs1 ZINC000800257334 919796451 /nfs/dbraw/zinc/79/64/51/919796451.db2.gz GAQQUNSWKRRROK-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM COc1ccccc1-c1nc(COC(=O)c2cc(F)cc3nn[n-]c32)cs1 ZINC000800257334 919796458 /nfs/dbraw/zinc/79/64/58/919796458.db2.gz GAQQUNSWKRRROK-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM COc1ccccc1-c1nc(COC(=O)c2cc(F)cc3n[n-]nc32)cs1 ZINC000800257334 919796463 /nfs/dbraw/zinc/79/64/63/919796463.db2.gz GAQQUNSWKRRROK-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(F)cc4[n-]nnc43)n2)cc1F ZINC000800261952 919801793 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GHADHM O=C([O-])[C@@]1(NC(=O)Nc2ccccc2Cl)CCCN(Cc2ccccc2)C1 ZINC000900320039 920177148 /nfs/dbraw/zinc/17/71/48/920177148.db2.gz QSZGAKDXTYRINT-HXUWFJFHSA-N -1 3 387.867 3.581 20 0 GHADHM Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800647099 920335455 /nfs/dbraw/zinc/33/54/55/920335455.db2.gz MVYUFANIURTHDP-LDADJPATSA-N -1 3 377.448 3.621 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000900489056 920342104 /nfs/dbraw/zinc/34/21/04/920342104.db2.gz NAFIHXXJRLDCQA-AWEZNQCLSA-N -1 3 397.406 3.610 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000901148351 920869868 /nfs/dbraw/zinc/86/98/68/920869868.db2.gz AWZBQRLSQNPPFS-JTQLQIEISA-N -1 3 386.395 3.896 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c4c(sc3[n-]2)SCCC4)cc1 ZINC000298739322 920870363 /nfs/dbraw/zinc/87/03/63/920870363.db2.gz NWWSBGFNJKRYAP-UHFFFAOYSA-N -1 3 392.527 3.718 20 0 GHADHM C[C@@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H](C(=O)[O-])C1 ZINC000902011580 921812881 /nfs/dbraw/zinc/81/28/81/921812881.db2.gz KYXLQHFOZRCHOX-SKDRFNHKSA-N -1 3 378.213 3.736 20 0 GHADHM Cc1cc(CNCc2ccc(NC(=O)C(C)C)cc2)cc(C)c1OCC(=O)[O-] ZINC000902134902 921905573 /nfs/dbraw/zinc/90/55/73/921905573.db2.gz BSLXCUNRMDLJRB-UHFFFAOYSA-N -1 3 384.476 3.651 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](c3ccccc3)N(C)C)nc(=O)c2c1C ZINC000780087483 921959036 /nfs/dbraw/zinc/95/90/36/921959036.db2.gz CHRCRWJDJHWXPW-BLLLJJGKSA-N -1 3 385.489 3.921 20 0 GHADHM COCCS(=O)(=O)[N-]c1cc(C(F)(F)F)c(Cl)cc1Br ZINC001259971387 922075895 /nfs/dbraw/zinc/07/58/95/922075895.db2.gz SILPXCBXAGMVKS-UHFFFAOYSA-N -1 3 396.612 3.509 20 0 GHADHM O=C([O-])Cn1cc(CN[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)nn1 ZINC000902351825 922113007 /nfs/dbraw/zinc/11/30/07/922113007.db2.gz RMZOXVYRZHSGKE-NVXWUHKLSA-N -1 3 396.413 3.588 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1Br ZINC000902473360 922224052 /nfs/dbraw/zinc/22/40/52/922224052.db2.gz BDMZTYOEOUAWBV-WMLDXEAASA-N -1 3 382.298 3.928 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4ccc5oc(=O)oc5c4)CC3)c2c1 ZINC000902573315 922316338 /nfs/dbraw/zinc/31/63/38/922316338.db2.gz XZVKWLZGKIEWTB-UHFFFAOYSA-N -1 3 392.411 3.945 20 0 GHADHM COc1cc(Cl)c(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1C ZINC000368178249 922517299 /nfs/dbraw/zinc/51/72/99/922517299.db2.gz KCWSTHRHQBLCMY-UHFFFAOYSA-N -1 3 398.850 3.704 20 0 GHADHM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000902819321 922525092 /nfs/dbraw/zinc/52/50/92/922525092.db2.gz GKZKYLGGQUIQEF-KBMXLJTQSA-N -1 3 399.409 3.804 20 0 GHADHM COc1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc(OC)c1[O-] ZINC000368713505 922823944 /nfs/dbraw/zinc/82/39/44/922823944.db2.gz DETMCPQJHYQITF-UHFFFAOYSA-N -1 3 377.387 3.707 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)s1 ZINC000368733110 922833961 /nfs/dbraw/zinc/83/39/61/922833961.db2.gz NNPWWWUJBBXJRL-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H]2Cc3ccccc32)cc(C(F)(F)F)c1 ZINC000803509184 923052853 /nfs/dbraw/zinc/05/28/53/923052853.db2.gz RRBNMBVKRXGUMK-ZDUSSCGKSA-N -1 3 399.390 3.574 20 0 GHADHM C[C@@H]1CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC000903631260 923140290 /nfs/dbraw/zinc/14/02/90/923140290.db2.gz PBNAQAZQDVXQOT-ZTNFWEORSA-N -1 3 377.444 3.869 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)s1 ZINC000903685965 923201400 /nfs/dbraw/zinc/20/14/00/923201400.db2.gz ANPWWPHKZJCYET-INIZCTEOSA-N -1 3 388.489 3.585 20 0 GHADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)c(Br)c1 ZINC000903941509 923417199 /nfs/dbraw/zinc/41/71/99/923417199.db2.gz PMFHQJJZIHDBGY-XKQJLSEDSA-N -1 3 382.298 3.602 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c(C)c1 ZINC000748640989 923768167 /nfs/dbraw/zinc/76/81/67/923768167.db2.gz YSSXVVYMWAGUJF-UHFFFAOYSA-N -1 3 375.490 3.700 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000677147023 924258796 /nfs/dbraw/zinc/25/87/96/924258796.db2.gz AGZXMWBDPNMECA-WQVCFCJDSA-N -1 3 381.881 3.631 20 0 GHADHM COC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000677892364 924539454 /nfs/dbraw/zinc/53/94/54/924539454.db2.gz BYKKERODOYTXLA-AWEZNQCLSA-N -1 3 399.365 3.546 20 0 GHADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cccc(Br)c1F ZINC000409932333 925152151 /nfs/dbraw/zinc/15/21/51/925152151.db2.gz KUXLNURNGICZRX-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC001137387174 925256314 /nfs/dbraw/zinc/25/63/14/925256314.db2.gz YLUFLPBSBNBZEA-QLJPJBMISA-N -1 3 387.785 3.818 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680107854 925365392 /nfs/dbraw/zinc/36/53/92/925365392.db2.gz NXFSPILDSYCHPK-ZDUSSCGKSA-N -1 3 394.226 3.825 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C(F)(F)F)cc1F ZINC000410175055 925377975 /nfs/dbraw/zinc/37/79/75/925377975.db2.gz YYLPHSCNNSRUTB-GHMZBOCLSA-N -1 3 391.333 3.673 20 0 GHADHM Cc1ccc(CN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C2CC2)o1 ZINC000680426399 925474486 /nfs/dbraw/zinc/47/44/86/925474486.db2.gz LEYBPNVBDKPZBX-UHFFFAOYSA-N -1 3 395.415 3.647 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccnc2Oc2ccccc2)c([O-])c1 ZINC000680425311 925474664 /nfs/dbraw/zinc/47/46/64/925474664.db2.gz XHKYNLHTMOKJNH-UHFFFAOYSA-N -1 3 391.427 3.647 20 0 GHADHM CCC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccn1 ZINC000680433375 925477066 /nfs/dbraw/zinc/47/70/66/925477066.db2.gz BCSZRGHOAQPFFG-GOSISDBHSA-N -1 3 394.431 3.607 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000680434529 925477815 /nfs/dbraw/zinc/47/78/15/925477815.db2.gz LJJCGMIHZVSUBM-LJQANCHMSA-N -1 3 396.487 3.583 20 0 GHADHM CCc1noc2ncc(C(=O)Nc3cccc(-c4nc(CC)cc(=O)[n-]4)c3)cc12 ZINC000372542538 925523747 /nfs/dbraw/zinc/52/37/47/925523747.db2.gz KCDMTBXXJXIAAR-UHFFFAOYSA-N -1 3 389.415 3.763 20 0 GHADHM NC(=O)c1cccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c1 ZINC000680700053 925571884 /nfs/dbraw/zinc/57/18/84/925571884.db2.gz SCOHVNJMDGBRSE-UHFFFAOYSA-N -1 3 387.395 3.787 20 0 GHADHM COc1cc(C(=O)NC(C)(C)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000680814309 925618143 /nfs/dbraw/zinc/61/81/43/925618143.db2.gz JBQQQDGWTMKXLT-UHFFFAOYSA-N -1 3 394.265 3.837 20 0 GHADHM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410417110 925619976 /nfs/dbraw/zinc/61/99/76/925619976.db2.gz JESCSWFXUKGQNE-UHFFFAOYSA-N -1 3 397.642 3.686 20 0 GHADHM O=C(NCc1cccc(NC(=O)c2ccc(O)c(F)c2)c1)c1ccc([O-])c(F)c1 ZINC000681037511 925701941 /nfs/dbraw/zinc/70/19/41/925701941.db2.gz FMFSCJKQOYPHNR-UHFFFAOYSA-N -1 3 398.365 3.558 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000827516474 925742977 /nfs/dbraw/zinc/74/29/77/925742977.db2.gz AEBLZBWJNMHFMK-GRDNDAEWSA-N -1 3 380.394 3.682 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000410718775 925803482 /nfs/dbraw/zinc/80/34/82/925803482.db2.gz MHUXJZOEEUNZQQ-SECBINFHSA-N -1 3 398.337 3.506 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(C(C)(F)F)nc2)c(C(=O)OCC)[n-]1 ZINC000410752896 925816030 /nfs/dbraw/zinc/81/60/30/925816030.db2.gz JBGDQAPMYYOAJF-UHFFFAOYSA-N -1 3 380.395 3.688 20 0 GHADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000373443113 926130052 /nfs/dbraw/zinc/13/00/52/926130052.db2.gz XFQWROLIXVGEDP-XCLFUZPHSA-N -1 3 382.847 3.784 20 0 GHADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000373443116 926130512 /nfs/dbraw/zinc/13/05/12/926130512.db2.gz XFQWROLIXVGEDP-ZUOKHONESA-N -1 3 382.847 3.784 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)[C@@H](CO)C(C)(C)C ZINC000411399801 926364578 /nfs/dbraw/zinc/36/45/78/926364578.db2.gz MJCCOELCGJOGMC-INIZCTEOSA-N -1 3 389.496 3.630 20 0 GHADHM CN(CCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000725827743 926460366 /nfs/dbraw/zinc/46/03/66/926460366.db2.gz YVNWJOCOIPRMBC-UHFFFAOYSA-N -1 3 388.320 3.583 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(n2cccn2)CC1 ZINC000725886962 926480437 /nfs/dbraw/zinc/48/04/37/926480437.db2.gz 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3 399.366 3.572 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)c1ccc(Cl)c(F)c1 ZINC000758475659 930056903 /nfs/dbraw/zinc/05/69/03/930056903.db2.gz CTPROCXNMWPHQB-FVNWOWOISA-N -1 3 397.855 3.592 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)n1 ZINC000469811059 930175916 /nfs/dbraw/zinc/17/59/16/930175916.db2.gz UATJODDYRHAKOJ-LBPRGKRZSA-N -1 3 380.473 3.784 20 0 GHADHM Cc1nc(C)c(Cc2nc([C@@H](C)c3ccc(Br)cc3)no2)c(=O)[n-]1 ZINC000546545753 930254439 /nfs/dbraw/zinc/25/44/39/930254439.db2.gz KBIVSHHPUWUFKC-VIFPVBQESA-N -1 3 389.253 3.687 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(F)cccc1Cl ZINC000759414173 930361443 /nfs/dbraw/zinc/36/14/43/930361443.db2.gz ODXHLASWJVMJFL-SECBINFHSA-N -1 3 389.807 3.908 20 0 GHADHM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000470261202 930495613 /nfs/dbraw/zinc/49/56/13/930495613.db2.gz MYSKOHSTGKXDSO-UHFFFAOYSA-N -1 3 387.223 3.718 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000780589420 930554839 /nfs/dbraw/zinc/55/48/39/930554839.db2.gz KXPPBIBYLFUEOW-MISYRCLQSA-N -1 3 398.528 3.654 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)CNc3ccccc3)cc2)cc(=O)[n-]1 ZINC000470436023 930613301 /nfs/dbraw/zinc/61/33/01/930613301.db2.gz AGCPCGZUEXXGIA-CQSZACIVSA-N -1 3 377.448 3.780 20 0 GHADHM CCC1(CC)CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000470660707 930795843 /nfs/dbraw/zinc/79/58/43/930795843.db2.gz TUXXPVLCGXQPDJ-UHFFFAOYSA-N -1 3 396.535 3.892 20 0 GHADHM Cc1cccc(NCC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000470768911 930896171 /nfs/dbraw/zinc/89/61/71/930896171.db2.gz GRMHCLRNBBOKDF-UHFFFAOYSA-N -1 3 394.711 3.741 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)C2)C1 ZINC000781749141 930960421 /nfs/dbraw/zinc/96/04/21/930960421.db2.gz LQBAYIXMOKLQGO-VLIAUNLRSA-N -1 3 396.528 3.555 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)C2)C1 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LXKKQARFWZSNGX-LLVKDONJSA-N -1 3 380.360 3.646 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000783008591 931384052 /nfs/dbraw/zinc/38/40/52/931384052.db2.gz BZYOPNQZAKMUNB-UHFFFAOYSA-N -1 3 389.367 3.567 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(-c4ccc(C)o4)[n-]n3)n2)cc1 ZINC000783028619 931390126 /nfs/dbraw/zinc/39/01/26/931390126.db2.gz OHGKLLQGKJCMSW-GFCCVEGCSA-N -1 3 394.387 3.955 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(-c4ccc(C)o4)n[n-]3)n2)cc1 ZINC000783028619 931390129 /nfs/dbraw/zinc/39/01/29/931390129.db2.gz OHGKLLQGKJCMSW-GFCCVEGCSA-N -1 3 394.387 3.955 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Oc2ccccc2)nc1 ZINC000783041314 931392962 /nfs/dbraw/zinc/39/29/62/931392962.db2.gz KZKFKVKMOXJNFH-UHFFFAOYSA-N -1 3 389.367 3.987 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783074423 931402355 /nfs/dbraw/zinc/40/23/55/931402355.db2.gz GRBAFKRGBBOTLH-GFCCVEGCSA-N -1 3 386.429 3.675 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@@H](c2cccs2)c2ccc(F)cc2)c2ccccc21 ZINC000783678140 931615094 /nfs/dbraw/zinc/61/50/94/931615094.db2.gz DWOCBSZEXJVIDQ-LYPXWFNGSA-N -1 3 378.428 3.877 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Br)cc2Cl)c2ccccc21 ZINC000783678126 931615566 /nfs/dbraw/zinc/61/55/66/931615566.db2.gz DTCODWQBAWPFCC-WQLSENKSSA-N -1 3 377.625 3.826 20 0 GHADHM CCN(CC)[C@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1Cl ZINC000783679648 931615982 /nfs/dbraw/zinc/61/59/82/931615982.db2.gz SYGIAYKCANOXAW-MTGKDYNDSA-N -1 3 397.906 3.624 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(F)c(Br)c1 ZINC000783912761 931714723 /nfs/dbraw/zinc/71/47/23/931714723.db2.gz ZXUYARXJLIZMQH-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM CSC[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000558134949 931853466 /nfs/dbraw/zinc/85/34/66/931853466.db2.gz HKXMTKVAJQXKHX-LLVKDONJSA-N -1 3 395.322 3.506 20 0 GHADHM CSCCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000784374843 931873311 /nfs/dbraw/zinc/87/33/11/931873311.db2.gz GZGSGXQUYSHQKM-UHFFFAOYSA-N -1 3 384.336 3.790 20 0 GHADHM CC(C)Cn1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1C(F)F ZINC000784403694 931882088 /nfs/dbraw/zinc/88/20/88/931882088.db2.gz CANQNQNUXZFHOA-UHFFFAOYSA-N -1 3 392.362 3.589 20 0 GHADHM COc1ccc(/C=C(\C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1F ZINC000784695748 931981939 /nfs/dbraw/zinc/98/19/39/931981939.db2.gz KFARZEQKEHMDGG-FMIVXFBMSA-N -1 3 384.363 3.737 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000784865381 932015207 /nfs/dbraw/zinc/01/52/07/932015207.db2.gz ZFTLSLXHEAUNBA-UHFFFAOYSA-N -1 3 382.269 3.957 20 0 GHADHM COc1ccc(N[C@@H](C)CCc2ccc(F)cc2F)cc1[N-]S(C)(=O)=O ZINC000796901221 932103250 /nfs/dbraw/zinc/10/32/50/932103250.db2.gz UKZURVYQYLRGPA-LBPRGKRZSA-N -1 3 384.448 3.778 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000797837771 932425589 /nfs/dbraw/zinc/42/55/89/932425589.db2.gz UWKPWBMNOZYCCA-JOYOIKCWSA-N -1 3 394.711 3.523 20 0 GHADHM CCn1c(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2ccccc21 ZINC000559159097 932471280 /nfs/dbraw/zinc/47/12/80/932471280.db2.gz DIUDZODPMPXABQ-MRXNPFEDSA-N -1 3 375.831 3.634 20 0 GHADHM CC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(C)cc1 ZINC000798349761 932608300 /nfs/dbraw/zinc/60/83/00/932608300.db2.gz BNHOCNSAYGETJV-MRXNPFEDSA-N -1 3 385.430 3.546 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCCC1 ZINC000798401774 932631634 /nfs/dbraw/zinc/63/16/34/932631634.db2.gz GIQDURNBSKIRMJ-MRXNPFEDSA-N -1 3 391.478 3.836 20 0 GHADHM Cc1nc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)c(C)o1 ZINC000559626331 932760332 /nfs/dbraw/zinc/76/03/32/932760332.db2.gz MXMSXPRWCDXGPW-UHFFFAOYSA-N -1 3 397.229 3.964 20 0 GHADHM C[C@@]1([C@@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)COC(=O)N1 ZINC000928025853 932769324 /nfs/dbraw/zinc/76/93/24/932769324.db2.gz OFTRCGCYCBVAIC-QRQCRPRQSA-N -1 3 396.443 3.535 20 0 GHADHM Cc1ccccc1-c1cnc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)o1 ZINC000799172625 932897400 /nfs/dbraw/zinc/89/74/00/932897400.db2.gz UYFHNGKXFIMISA-UHFFFAOYSA-N -1 3 381.398 3.541 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928353374 932937571 /nfs/dbraw/zinc/93/75/71/932937571.db2.gz HVLBLIBZMJBJBK-HNNXBMFYSA-N -1 3 379.229 3.595 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)c1 ZINC000559960343 932981003 /nfs/dbraw/zinc/98/10/03/932981003.db2.gz DNQWDDVPFKSXNO-UHFFFAOYSA-N -1 3 396.925 3.543 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000626393757 933231655 /nfs/dbraw/zinc/23/16/55/933231655.db2.gz FSDYGQBSJKIRLA-INIZCTEOSA-N -1 3 396.491 3.572 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001117453724 933940647 /nfs/dbraw/zinc/94/06/47/933940647.db2.gz PRFZOEDREXYIKR-QGZVFWFLSA-N -1 3 395.381 3.589 20 0 GHADHM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)c1c(Cl)cccc1Cl ZINC000561577530 934283446 /nfs/dbraw/zinc/28/34/46/934283446.db2.gz WOSBHTPJEIJYBM-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Cl)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001120263854 934452899 /nfs/dbraw/zinc/45/28/99/934452899.db2.gz BYYRJLOAEZCCIN-QMTHXVAHSA-N -1 3 385.773 3.764 20 0 GHADHM CC(C)(C)c1ccc(Cl)cc1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931300796 934491673 /nfs/dbraw/zinc/49/16/73/934491673.db2.gz IQRPBCWLVGRBCQ-ZDUSSCGKSA-N -1 3 389.887 3.534 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(C1CCC1)C1CCC1 ZINC000561837206 934494341 /nfs/dbraw/zinc/49/43/41/934494341.db2.gz FRJIDTZMDQFDFV-UHFFFAOYSA-N -1 3 375.266 3.838 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-][C@H](c2nnc3ccccn32)C(C)C)cnc1Cl ZINC000931521983 934597789 /nfs/dbraw/zinc/59/77/89/934597789.db2.gz TYLCEYSMPNIRLP-AWEZNQCLSA-N -1 3 393.825 3.691 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2ccccc2Cl)CC1 ZINC001121667198 934732307 /nfs/dbraw/zinc/73/23/07/934732307.db2.gz XUEUTUFWDZWJOI-UHFFFAOYSA-N -1 3 396.882 3.716 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001122577532 934906114 /nfs/dbraw/zinc/90/61/14/934906114.db2.gz CVQZEXUDCWHFIF-OAQYLSRUSA-N -1 3 397.479 3.581 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1cncs1)Cc1cncs1 ZINC001124068672 935337362 /nfs/dbraw/zinc/33/73/62/935337362.db2.gz DELRQJDIGUEDFO-UHFFFAOYSA-N -1 3 391.493 3.996 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000828454561 935635288 /nfs/dbraw/zinc/63/52/88/935635288.db2.gz VSWNMMRCKZRHQD-UHFFFAOYSA-N -1 3 380.510 3.680 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000828619208 935676760 /nfs/dbraw/zinc/67/67/60/935676760.db2.gz CIESUXPPKBUUOX-YROGDUDOSA-N -1 3 385.291 3.952 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@]3(C)CC3(Cl)Cl)[n-]c(=O)c12 ZINC000829106022 935768123 /nfs/dbraw/zinc/76/81/23/935768123.db2.gz FNNAQKDKZDUVIF-AWEZNQCLSA-N -1 3 388.276 3.501 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000829781934 935860984 /nfs/dbraw/zinc/86/09/84/935860984.db2.gz PPTFFGFEYDEFJO-UHFFFAOYSA-N -1 3 381.885 3.829 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)F)c([O-])c1 ZINC001137939746 935881808 /nfs/dbraw/zinc/88/18/08/935881808.db2.gz QCYJILJJQPLJAJ-QGZVFWFLSA-N -1 3 389.354 3.617 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1NCc1nccc2c1CCCC2 ZINC001573279285 946637271 /nfs/dbraw/zinc/63/72/71/946637271.db2.gz GYINYGUDCWGOIU-UHFFFAOYSA-N -1 3 385.269 3.515 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1NCc1nccc2c1CCCC2 ZINC001573279285 946637279 /nfs/dbraw/zinc/63/72/79/946637279.db2.gz GYINYGUDCWGOIU-UHFFFAOYSA-N -1 3 385.269 3.515 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1N1CCCC2(C1)CCCCCC2 ZINC001573280438 946661453 /nfs/dbraw/zinc/66/14/53/946661453.db2.gz SKSPOGVIAHUMBT-UHFFFAOYSA-N -1 3 391.317 3.965 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1N1CCCC2(C1)CCCCCC2 ZINC001573280438 946661458 /nfs/dbraw/zinc/66/14/58/946661458.db2.gz SKSPOGVIAHUMBT-UHFFFAOYSA-N -1 3 391.317 3.965 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001573550561 946866191 /nfs/dbraw/zinc/86/61/91/946866191.db2.gz BLZRVDKRKVWQCF-UHFFFAOYSA-N -1 3 398.854 3.668 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001573550561 946866203 /nfs/dbraw/zinc/86/62/03/946866203.db2.gz BLZRVDKRKVWQCF-UHFFFAOYSA-N -1 3 398.854 3.668 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001573363834 947712902 /nfs/dbraw/zinc/71/29/02/947712902.db2.gz DNPMVXBMDFABAN-YPKPFQOOSA-N -1 3 377.423 3.995 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001573363834 947712913 /nfs/dbraw/zinc/71/29/13/947712913.db2.gz DNPMVXBMDFABAN-YPKPFQOOSA-N -1 3 377.423 3.995 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001573367187 947756354 /nfs/dbraw/zinc/75/63/54/947756354.db2.gz YOTONCIXYSUQJY-XNTDXEJSSA-N -1 3 376.464 3.592 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001573367187 947756360 /nfs/dbraw/zinc/75/63/60/947756360.db2.gz YOTONCIXYSUQJY-XNTDXEJSSA-N -1 3 376.464 3.592 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001573367268 947757937 /nfs/dbraw/zinc/75/79/37/947757937.db2.gz ZAZUMSMIBWBCEE-XFXZXTDPSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001573367268 947757944 /nfs/dbraw/zinc/75/79/44/947757944.db2.gz ZAZUMSMIBWBCEE-XFXZXTDPSA-N -1 3 394.866 3.822 20 0 GHADHM C[C@H](C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001573756095 948796407 /nfs/dbraw/zinc/79/64/07/948796407.db2.gz WWVPATOEOUSAKS-ZETCQYMHSA-N -1 3 397.653 3.964 20 0 GHADHM C[C@H](C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC001573756095 948796412 /nfs/dbraw/zinc/79/64/12/948796412.db2.gz WWVPATOEOUSAKS-ZETCQYMHSA-N -1 3 397.653 3.964 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC001574083049 948874699 /nfs/dbraw/zinc/87/46/99/948874699.db2.gz ORNGQOKQIXMRQU-QINHECLXSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC001574083049 948874720 /nfs/dbraw/zinc/87/47/20/948874720.db2.gz ORNGQOKQIXMRQU-QINHECLXSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)[C@@H]1CCCCCN1C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574092535 949063969 /nfs/dbraw/zinc/06/39/69/949063969.db2.gz RUZOHZGQHSMFPS-OALUTQOASA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)[C@@H]1CCCCCN1C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574092535 949063987 /nfs/dbraw/zinc/06/39/87/949063987.db2.gz RUZOHZGQHSMFPS-OALUTQOASA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)[C@@H]1CCCCCN1C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574092516 949065367 /nfs/dbraw/zinc/06/53/67/949065367.db2.gz RUZOHZGQHSMFPS-MOPGFXCFSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)[C@@H]1CCCCCN1C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574092516 949065381 /nfs/dbraw/zinc/06/53/81/949065381.db2.gz RUZOHZGQHSMFPS-MOPGFXCFSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)(C(=O)NCc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001573782551 949125074 /nfs/dbraw/zinc/12/50/74/949125074.db2.gz CFOQMEUZURXUNK-UHFFFAOYSA-N -1 3 390.274 3.768 20 0 GHADHM CC(C)(C(=O)NCc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001573782551 949125097 /nfs/dbraw/zinc/12/50/97/949125097.db2.gz CFOQMEUZURXUNK-UHFFFAOYSA-N -1 3 390.274 3.768 20 0 GHADHM CC(C)(C(=O)Oc1ccc(Cl)c(F)c1F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788588 949198344 /nfs/dbraw/zinc/19/83/44/949198344.db2.gz OEVYWVODPTYPET-UHFFFAOYSA-N -1 3 396.756 3.821 20 0 GHADHM CC(C)(C(=O)Oc1ccc(Cl)c(F)c1F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788588 949198373 /nfs/dbraw/zinc/19/83/73/949198373.db2.gz OEVYWVODPTYPET-UHFFFAOYSA-N -1 3 396.756 3.821 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575516255 949202292 /nfs/dbraw/zinc/20/22/92/949202292.db2.gz OBMNARGIAYKHRJ-UGSOOPFHSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575516255 949202308 /nfs/dbraw/zinc/20/23/08/949202308.db2.gz OBMNARGIAYKHRJ-UGSOOPFHSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575516252 949203678 /nfs/dbraw/zinc/20/36/78/949203678.db2.gz OBMNARGIAYKHRJ-SCLBCKFNSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575516252 949203700 /nfs/dbraw/zinc/20/37/00/949203700.db2.gz OBMNARGIAYKHRJ-SCLBCKFNSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001575857882 949274029 /nfs/dbraw/zinc/27/40/29/949274029.db2.gz WZEBMGDKBNKRTO-GUYCJALGSA-N -1 3 388.244 3.910 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001575857882 949274047 /nfs/dbraw/zinc/27/40/47/949274047.db2.gz WZEBMGDKBNKRTO-GUYCJALGSA-N -1 3 388.244 3.910 20 0 GHADHM C[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576170760 949736721 /nfs/dbraw/zinc/73/67/21/949736721.db2.gz MSZHLOTWEKRHEC-QAPCUYQASA-N -1 3 376.464 3.621 20 0 GHADHM C[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576170760 949736736 /nfs/dbraw/zinc/73/67/36/949736736.db2.gz MSZHLOTWEKRHEC-QAPCUYQASA-N -1 3 376.464 3.621 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1 ZINC001589659097 949835421 /nfs/dbraw/zinc/83/54/21/949835421.db2.gz CBKOOISMBXIWIE-YLJYHZDGSA-N -1 3 378.900 3.650 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573825908 949892789 /nfs/dbraw/zinc/89/27/89/949892789.db2.gz CJTJZEASBNGQOU-CHWSQXEVSA-N -1 3 376.530 3.722 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573826728 949911120 /nfs/dbraw/zinc/91/11/20/949911120.db2.gz IQUIMVPSJPWRGU-RDTXWAMCSA-N -1 3 398.511 3.707 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573826728 949911140 /nfs/dbraw/zinc/91/11/40/949911140.db2.gz IQUIMVPSJPWRGU-RDTXWAMCSA-N -1 3 398.511 3.707 20 0 GHADHM C[C@H]1CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC2CCCC2)C1 ZINC001576182249 950044062 /nfs/dbraw/zinc/04/40/62/950044062.db2.gz YUFPUXVSMVXLDP-HNNXBMFYSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@H]1CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC2CCCC2)C1 ZINC001576182249 950044081 /nfs/dbraw/zinc/04/40/81/950044081.db2.gz YUFPUXVSMVXLDP-HNNXBMFYSA-N -1 3 392.511 3.552 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3csc(-c4nnn[n-]4)c3)ccc2o1 ZINC001573854897 950350303 /nfs/dbraw/zinc/35/03/03/950350303.db2.gz GWKHVGIMJFLLBP-UHFFFAOYSA-N -1 3 382.449 3.910 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC=CCC1 ZINC001575614687 950547132 /nfs/dbraw/zinc/54/71/32/950547132.db2.gz MPNSEDNPGYMBEY-HXUWFJFHSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4C3)c2-c2nnn[n-]2)C1 ZINC001576214511 950675923 /nfs/dbraw/zinc/67/59/23/950675923.db2.gz BHUNTPXRSNXYIW-SWLSCSKDSA-N -1 3 393.516 3.797 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc4C3)c2-c2nn[n-]n2)C1 ZINC001576214511 950675939 /nfs/dbraw/zinc/67/59/39/950675939.db2.gz BHUNTPXRSNXYIW-SWLSCSKDSA-N -1 3 393.516 3.797 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2ccc(Br)cc2)n1 ZINC001573882076 950769198 /nfs/dbraw/zinc/76/91/98/950769198.db2.gz QWSKVLXBVIYBLQ-UHFFFAOYSA-N -1 3 387.285 3.934 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2ccc(Br)cc2)n1 ZINC001573882076 950769217 /nfs/dbraw/zinc/76/92/17/950769217.db2.gz QWSKVLXBVIYBLQ-UHFFFAOYSA-N -1 3 387.285 3.934 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC001573885525 950835404 /nfs/dbraw/zinc/83/54/04/950835404.db2.gz YONOZRNZWJVCIS-GFCCVEGCSA-N -1 3 392.529 3.505 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC001573885525 950835422 /nfs/dbraw/zinc/83/54/22/950835422.db2.gz YONOZRNZWJVCIS-GFCCVEGCSA-N -1 3 392.529 3.505 20 0 GHADHM CC(C)CCCCC(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001574194879 950965919 /nfs/dbraw/zinc/96/59/19/950965919.db2.gz DUPWVGDPTBBSQK-UHFFFAOYSA-N -1 3 385.237 3.890 20 0 GHADHM CC(C)CCCCC(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001574194879 950965939 /nfs/dbraw/zinc/96/59/39/950965939.db2.gz DUPWVGDPTBBSQK-UHFFFAOYSA-N -1 3 385.237 3.890 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1OC(C)(C)C ZINC001575188192 952447381 /nfs/dbraw/zinc/44/73/81/952447381.db2.gz HRPFMNGBAKCOAK-OAHLLOKOSA-N -1 3 393.491 3.539 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1OC(C)(C)C ZINC001575188192 952447385 /nfs/dbraw/zinc/44/73/85/952447385.db2.gz HRPFMNGBAKCOAK-OAHLLOKOSA-N -1 3 393.491 3.539 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001575189030 952453060 /nfs/dbraw/zinc/45/30/60/952453060.db2.gz MTQDFBYZISWRLW-ZDUSSCGKSA-N -1 3 382.443 3.882 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001575189030 952453066 /nfs/dbraw/zinc/45/30/66/952453066.db2.gz MTQDFBYZISWRLW-ZDUSSCGKSA-N -1 3 382.443 3.882 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccnc1-c1ccccc1 ZINC001575190498 952463061 /nfs/dbraw/zinc/46/30/61/952463061.db2.gz SZQLPSKWBQICJJ-HNNXBMFYSA-N -1 3 384.443 3.746 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccnc1-c1ccccc1 ZINC001575190498 952463065 /nfs/dbraw/zinc/46/30/65/952463065.db2.gz SZQLPSKWBQICJJ-HNNXBMFYSA-N -1 3 384.443 3.746 20 0 GHADHM CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC001593760610 954483594 /nfs/dbraw/zinc/48/35/94/954483594.db2.gz RDARLBLZFUGTFV-ICSRJNTNSA-N -1 3 397.519 3.681 20 0 GHADHM CC(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001603055976 972122930 /nfs/dbraw/zinc/12/29/30/972122930.db2.gz AENRGUBUGBCSPD-CKDFRHGISA-N -1 3 382.460 3.503 20 0 GHADHM C[C@@H](c1nc(Cc2ccccc2)no1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573642964 959624733 /nfs/dbraw/zinc/62/47/33/959624733.db2.gz LTMZYCYRFUXQBL-ZYSHUDEJSA-N -1 3 377.444 3.522 20 0 GHADHM CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001263631057 960881539 /nfs/dbraw/zinc/88/15/39/960881539.db2.gz GTRMRXVDXLKJJS-IBGZPJMESA-N -1 3 383.448 3.631 20 0 GHADHM Cc1cccc([C@@H](NCc2ccc(C(=O)OCc3ccccc3)[nH]2)C(=O)[O-])c1 ZINC001574394983 961204940 /nfs/dbraw/zinc/20/49/40/961204940.db2.gz LVBSIFKGIRWOMI-HXUWFJFHSA-N -1 3 378.428 3.596 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549037528 962935385 /nfs/dbraw/zinc/93/53/85/962935385.db2.gz QWHCGBVXQRSHLT-USXIJHARSA-N -1 3 386.879 3.776 20 0 GHADHM C[C@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000314850254 963820567 /nfs/dbraw/zinc/82/05/67/963820567.db2.gz WRNFPTWDHUUCGS-SGTLLEGYSA-N -1 3 383.514 3.529 20 0 GHADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000565310296 974579208 /nfs/dbraw/zinc/57/92/08/974579208.db2.gz UHLHVJZOGCNSLC-PKOBYXMFSA-N -1 3 375.852 3.615 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)[C@@H]1Oc1ccccc1 ZINC001625824214 1014208300 /nfs/dbraw/zinc/20/83/00/1014208300.db2.gz XQJFKSKLNPKGJV-NUJGCVRESA-N -1 3 397.368 3.798 20 0 GHADHM [O-]c1cc(F)c(Nc2nc(Br)cnc2Br)cc1F ZINC001215570791 1029286653 /nfs/dbraw/zinc/28/66/53/1029286653.db2.gz NWHHJOMKWBWNSJ-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM C[C@H](Oc1cc(=O)[n-]c(N2CCOCC2)n1)c1c(Cl)ccc(F)c1Cl ZINC001226722939 1032092475 /nfs/dbraw/zinc/09/24/75/1032092475.db2.gz QWIWXDPTKGXRMR-VIFPVBQESA-N -1 3 388.226 3.605 20 0 GHADHM C[C@@H](COCC1CC1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001592776837 979404484 /nfs/dbraw/zinc/40/44/84/979404484.db2.gz UHKJLMASLCCWIO-NSHDSACASA-N -1 3 398.290 3.782 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@@H](O)c2ccccc2Br)c([O-])c1 ZINC001626430922 1014606174 /nfs/dbraw/zinc/60/61/74/1014606174.db2.gz KWRDRCKRVJNUDN-QGZVFWFLSA-N -1 3 378.266 3.742 20 0 GHADHM CC[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595300458 980434943 /nfs/dbraw/zinc/43/49/43/980434943.db2.gz QNNIYNZFCJMLAU-LEWJYISDSA-N -1 3 396.487 3.535 20 0 GHADHM CCCCC[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC001595683681 982173956 /nfs/dbraw/zinc/17/39/56/982173956.db2.gz XCWKMCSJKBTBFM-ZDUSSCGKSA-N -1 3 379.213 3.553 20 0 GHADHM CCCN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595823022 982695971 /nfs/dbraw/zinc/69/59/71/982695971.db2.gz POBWDYCQONQNOK-LJQANCHMSA-N -1 3 396.491 3.688 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC001594994383 982874542 /nfs/dbraw/zinc/87/45/42/982874542.db2.gz LVOHWACETFIVRW-ABAIWWIYSA-N -1 3 379.844 3.882 20 0 GHADHM Cc1[nH]c(CN2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599961420 985788302 /nfs/dbraw/zinc/78/83/02/985788302.db2.gz FQUKJLQAGLELAZ-BTYIYWSLSA-N -1 3 391.512 3.538 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001597022230 986418912 /nfs/dbraw/zinc/41/89/12/986418912.db2.gz PDCXLBASPBINJM-QFIPXVFZSA-N -1 3 397.475 3.570 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)ccc1OC(F)F ZINC001597036331 986476986 /nfs/dbraw/zinc/47/69/86/986476986.db2.gz YZEVKJDNXNMJKV-SFHVURJKSA-N -1 3 393.386 3.537 20 0 GHADHM CCOc1ccc(NC(=O)CCN2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)cc1 ZINC001597112486 986778159 /nfs/dbraw/zinc/77/81/59/986778159.db2.gz UHVALSBUCNMTSZ-IBGZPJMESA-N -1 3 399.491 3.678 20 0 GHADHM C[C@@H](C(=O)c1c[nH]c2ncccc12)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589553776 987293854 /nfs/dbraw/zinc/29/38/54/987293854.db2.gz QTCOGLNHCZYHOS-UYHISHBKSA-N -1 3 397.862 3.588 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC001589601565 987428661 /nfs/dbraw/zinc/42/86/61/987428661.db2.gz NULVXLGYMNIFNF-QGZVFWFLSA-N -1 3 378.831 3.859 20 0 GHADHM CCc1[nH]c(CN[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC001597390277 987615512 /nfs/dbraw/zinc/61/55/12/987615512.db2.gz BMVHOQWJGDAGOT-QGZVFWFLSA-N -1 3 384.307 3.975 20 0 GHADHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001589806484 988231022 /nfs/dbraw/zinc/23/10/22/988231022.db2.gz PMSYDPLDASOZND-OAQYLSRUSA-N -1 3 391.487 3.526 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(C/C=C\c2ccc(F)cc2)CC12CC(C(=O)[O-])C2 ZINC001589865818 988462779 /nfs/dbraw/zinc/46/27/79/988462779.db2.gz HIDXQOJSXDSZNG-DOEXXGGKSA-N -1 3 389.467 3.593 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001590012066 988965772 /nfs/dbraw/zinc/96/57/72/988965772.db2.gz IUZKYPKAVZGHFH-CVEARBPZSA-N -1 3 392.496 3.837 20 0 GHADHM CCc1nn(C)c(CC)c1CN(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001597716392 988981885 /nfs/dbraw/zinc/98/18/85/988981885.db2.gz QCVJSRICBXQIQE-QGZVFWFLSA-N -1 3 394.313 3.565 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001597762658 989198558 /nfs/dbraw/zinc/19/85/58/989198558.db2.gz IHZRXUKYJZFCRX-ZFWWWQNUSA-N -1 3 380.485 3.523 20 0 GHADHM CCc1oc(CN(Cc2ccc(OC)cc2)[C@H](CO)C(C)C)cc1C(=O)[O-] ZINC001597795839 989346480 /nfs/dbraw/zinc/34/64/80/989346480.db2.gz FCOZCBKIFXIJAN-LJQANCHMSA-N -1 3 375.465 3.568 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H]1C1CC1 ZINC001590340360 989779042 /nfs/dbraw/zinc/77/90/42/989779042.db2.gz MWZSSJJQKHYDRO-JKSUJKDBSA-N -1 3 379.884 3.838 20 0 GHADHM CC(C)(C)c1cc2cccnc2c(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001590462589 990034880 /nfs/dbraw/zinc/03/48/80/990034880.db2.gz ZICVETGPCBCZBG-UHFFFAOYSA-N -1 3 398.507 3.545 20 0 GHADHM CN(C)CCN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CCCC1 ZINC001598223715 990902870 /nfs/dbraw/zinc/90/28/70/990902870.db2.gz PSZXUVAAJCAQED-UHFFFAOYSA-N -1 3 379.526 3.592 20 0 GHADHM CC(C)=CCC[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001590921750 990913236 /nfs/dbraw/zinc/91/32/36/990913236.db2.gz JWPDCEMLZYYYOJ-AUSIDOKSSA-N -1 3 386.536 3.995 20 0 GHADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598229789 990930310 /nfs/dbraw/zinc/93/03/10/990930310.db2.gz WPRFNMGBJKUMRR-UHFFFAOYSA-N -1 3 387.461 3.788 20 0 GHADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1Cc1cc(C(=O)[O-])no1 ZINC001591211100 992051773 /nfs/dbraw/zinc/05/17/73/992051773.db2.gz PXYFJQUFPHMUSH-LJQANCHMSA-N -1 3 385.508 3.538 20 0 GHADHM CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CCC(=O)[O-] ZINC001591245276 992134159 /nfs/dbraw/zinc/13/41/59/992134159.db2.gz KPZUXPOYHOLVLP-HNNXBMFYSA-N -1 3 375.296 3.560 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC001591484297 992609929 /nfs/dbraw/zinc/60/99/29/992609929.db2.gz MZUWEKKWHYLSCQ-JOCHJYFZSA-N -1 3 396.531 3.935 20 0 GHADHM CN(Cc1ccccc1CC(=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001598529804 992765821 /nfs/dbraw/zinc/76/58/21/992765821.db2.gz YCNUGNKIVFPURF-IEBWSBKVSA-N -1 3 380.271 3.711 20 0 GHADHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468558239 1015803999 /nfs/dbraw/zinc/80/39/99/1015803999.db2.gz BPGKZPWYMYWENM-HNNXBMFYSA-N -1 3 382.439 3.654 20 0 GHADHM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468558242 1015804216 /nfs/dbraw/zinc/80/42/16/1015804216.db2.gz BPGKZPWYMYWENM-OAHLLOKOSA-N -1 3 382.439 3.654 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001593117613 993816524 /nfs/dbraw/zinc/81/65/24/993816524.db2.gz PWYJHFCIDZXKNV-SJKOYZFVSA-N -1 3 375.856 3.851 20 0 GHADHM COc1ccc2[nH]cc(CCN[C@@H](C(=O)[O-])c3c(F)cccc3Cl)c2c1 ZINC001599623371 994115049 /nfs/dbraw/zinc/11/50/49/994115049.db2.gz PVBGQPIRDGWORM-GOSISDBHSA-N -1 3 376.815 3.927 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)nc21 ZINC000545415090 1015854864 /nfs/dbraw/zinc/85/48/64/1015854864.db2.gz CLTNDOSQLQXXIU-NSHDSACASA-N -1 3 399.834 3.851 20 0 GHADHM C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001593288700 994658172 /nfs/dbraw/zinc/65/81/72/994658172.db2.gz MJLXXHKUMBXFEH-OAHLLOKOSA-N -1 3 377.444 3.826 20 0 GHADHM COc1cccc(CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C[C@H]2CCCO2)c1 ZINC001599674079 994866457 /nfs/dbraw/zinc/86/64/57/994866457.db2.gz ZJJKRJAODJNSGY-JOCHJYFZSA-N -1 3 395.499 3.993 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001593690669 996136944 /nfs/dbraw/zinc/13/69/44/996136944.db2.gz VJGCKNIAFKIOPA-WBVHZDCISA-N -1 3 386.448 3.677 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001593775747 996472350 /nfs/dbraw/zinc/47/23/50/996472350.db2.gz AGHWFEKFADGXJD-APWZRJJASA-N -1 3 399.318 3.844 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000468804093 1016050463 /nfs/dbraw/zinc/05/04/63/1016050463.db2.gz DBOQZGPSTGDXRP-INIZCTEOSA-N -1 3 381.451 3.976 20 0 GHADHM COc1cc(C)ccc1CN[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599393864 997089122 /nfs/dbraw/zinc/08/91/22/997089122.db2.gz WPSHPLHYQJDQMJ-SFHVURJKSA-N -1 3 378.266 3.856 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001599500817 997115277 /nfs/dbraw/zinc/11/52/77/997115277.db2.gz XWDXQJNMQBLPFP-UHFFFAOYSA-N -1 3 383.370 3.515 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594022308 997548466 /nfs/dbraw/zinc/54/84/66/997548466.db2.gz XPFMPIIMLDJKNH-KXBFYZLASA-N -1 3 382.888 3.702 20 0 GHADHM CO[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@@H]1C ZINC001599122909 997774178 /nfs/dbraw/zinc/77/41/78/997774178.db2.gz DYIZPWNJTVHAEZ-MEDUHNTESA-N -1 3 398.290 3.734 20 0 GHADHM COC(=O)c1cc(CN2CCCSC[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001598932535 997793448 /nfs/dbraw/zinc/79/34/48/997793448.db2.gz KNXJVCIDMZVVHA-IBGZPJMESA-N -1 3 385.485 3.852 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)O1 ZINC001594100290 998104834 /nfs/dbraw/zinc/10/48/34/998104834.db2.gz NMVHSVQPMFWQOD-PBFPGSCMSA-N -1 3 398.425 3.752 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)O1 ZINC001594103175 998126638 /nfs/dbraw/zinc/12/66/38/998126638.db2.gz NIPQJTXWSAZKGV-ZIAGYGMSSA-N -1 3 386.275 3.984 20 0 GHADHM COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c(C)c1 ZINC001599560379 998181134 /nfs/dbraw/zinc/18/11/34/998181134.db2.gz DWOKSMMZAAMLEW-IBGZPJMESA-N -1 3 385.460 3.595 20 0 GHADHM COc1ccc(-c2nc(CN[C@@H](C)[C@H](Cc3ccccc3)C(=O)[O-])co2)cc1 ZINC001599469790 998429964 /nfs/dbraw/zinc/42/99/64/998429964.db2.gz KCRWLBOZJMVLSQ-YWZLYKJASA-N -1 3 380.444 3.772 20 0 GHADHM COc1ccc(COCCN[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)cc1 ZINC001599576216 998447335 /nfs/dbraw/zinc/44/73/35/998447335.db2.gz YOQRDSPSDQXNFA-KRWDZBQOSA-N -1 3 399.365 3.526 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000468967002 1016285923 /nfs/dbraw/zinc/28/59/23/1016285923.db2.gz NIDMDVABGMVOGY-SFHVURJKSA-N -1 3 385.435 3.989 20 0 GHADHM Cc1sccc1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000468976378 1016297006 /nfs/dbraw/zinc/29/70/06/1016297006.db2.gz OZNFZOWOBSZVQK-UHFFFAOYSA-N -1 3 392.424 3.628 20 0 GHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000468990056 1016312721 /nfs/dbraw/zinc/31/27/21/1016312721.db2.gz PNZVEHPQCZAATO-LJQANCHMSA-N -1 3 384.451 3.508 20 0 GHADHM C[C@H](C1CC1)N(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CC1 ZINC001594442557 999629759 /nfs/dbraw/zinc/62/97/59/999629759.db2.gz USKIKGCOXNSMNT-NWDGAFQWSA-N -1 3 376.522 3.773 20 0 GHADHM Cc1cccc(NC(=O)N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000469052093 1016376611 /nfs/dbraw/zinc/37/66/11/1016376611.db2.gz TZISIPOAULFVGC-UHFFFAOYSA-N -1 3 399.466 3.539 20 0 GHADHM CCOC(=O)[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000469096489 1016467522 /nfs/dbraw/zinc/46/75/22/1016467522.db2.gz YJLBHUWALPKRET-SFHVURJKSA-N -1 3 385.435 3.543 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000469110735 1016499949 /nfs/dbraw/zinc/49/99/49/1016499949.db2.gz BNDHXRDOHNFLQG-SFHVURJKSA-N -1 3 391.414 3.804 20 0 GHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000546154240 1016569281 /nfs/dbraw/zinc/56/92/81/1016569281.db2.gz JTGGYGABEJYMKI-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C(C)C)cc1 ZINC001221017623 1032238430 /nfs/dbraw/zinc/23/84/30/1032238430.db2.gz ZKJNAYXTOVAWDJ-NQIIRXRSSA-N -1 3 397.523 3.581 20 0 GHADHM CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c(OCCC)c1 ZINC001154797438 1032287684 /nfs/dbraw/zinc/28/76/84/1032287684.db2.gz SPTIMXUNMSHYKI-UHFFFAOYSA-N -1 3 385.464 3.567 20 0 GHADHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001155015549 1032381683 /nfs/dbraw/zinc/38/16/83/1032381683.db2.gz GTYSZXCDSABMLW-UZLBHIALSA-N -1 3 381.472 3.591 20 0 GHADHM C[C@H](Oc1cccc([O-])c1I)c1cnc2ccccn21 ZINC001227376682 1032395255 /nfs/dbraw/zinc/39/52/55/1032395255.db2.gz VWYKJNNRCLHHEE-JTQLQIEISA-N -1 3 380.185 3.785 20 0 GHADHM CCOC(=O)c1c2c(sc1NC(=O)c1nc3nc(Cl)ccc3[n-]1)CCC2 ZINC001155170519 1032442396 /nfs/dbraw/zinc/44/23/96/1032442396.db2.gz JZAGTPYWLBBCBR-UHFFFAOYSA-N -1 3 390.852 3.591 20 0 GHADHM CCOC(=O)c1c2c(sc1NC(=O)c1nc3ccc(Cl)[n-]c-3n1)CCC2 ZINC001155170519 1032442400 /nfs/dbraw/zinc/44/24/00/1032442400.db2.gz JZAGTPYWLBBCBR-UHFFFAOYSA-N -1 3 390.852 3.591 20 0 GHADHM O=C(Nc1cncc(Br)c1Cl)c1nc2nc(Cl)ccc2[n-]1 ZINC001155170780 1032442442 /nfs/dbraw/zinc/44/24/42/1032442442.db2.gz LLSRIKYMVUBGPZ-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM O=C(Nc1cncc(Br)c1Cl)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155170780 1032442444 /nfs/dbraw/zinc/44/24/44/1032442444.db2.gz LLSRIKYMVUBGPZ-UHFFFAOYSA-N -1 3 387.024 3.675 20 0 GHADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178309 1032445912 /nfs/dbraw/zinc/44/59/12/1032445912.db2.gz IDJBYAZSLVFPMB-UHFFFAOYSA-N -1 3 379.807 3.838 20 0 GHADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178309 1032445919 /nfs/dbraw/zinc/44/59/19/1032445919.db2.gz IDJBYAZSLVFPMB-UHFFFAOYSA-N -1 3 379.807 3.838 20 0 GHADHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155178309 1032445922 /nfs/dbraw/zinc/44/59/22/1032445922.db2.gz IDJBYAZSLVFPMB-UHFFFAOYSA-N -1 3 379.807 3.838 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)[C@H](F)C1 ZINC001227585907 1032474146 /nfs/dbraw/zinc/47/41/46/1032474146.db2.gz GUTBZGIGISWQBS-MNOVXSKESA-N -1 3 380.338 3.532 20 0 GHADHM [O-]c1cc(Br)cc(F)c1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001227588363 1032474878 /nfs/dbraw/zinc/47/48/78/1032474878.db2.gz ROVSTIAUCOYMEJ-OAHLLOKOSA-N -1 3 396.256 3.574 20 0 GHADHM CCOC(=O)[C@H](C)[C@H](Oc1c([O-])cc(Br)cc1F)C(F)(F)F ZINC001227586605 1032475118 /nfs/dbraw/zinc/47/51/18/1032475118.db2.gz BRRDVRKDDIQASW-KBUNVGBDSA-N -1 3 389.139 3.803 20 0 GHADHM Cc1ccc2ccc(C(=O)N3C[C@@H](C)N(Cc4ccccc4)C[C@@H]3C)c([O-])c2n1 ZINC001155652050 1032622419 /nfs/dbraw/zinc/62/24/19/1032622419.db2.gz MHLAORRWBKYNRF-MSOLQXFVSA-N -1 3 389.499 3.984 20 0 GHADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000558492767 1017213848 /nfs/dbraw/zinc/21/38/48/1017213848.db2.gz LXGGCGNIAQIIJX-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000558648921 1017252578 /nfs/dbraw/zinc/25/25/78/1017252578.db2.gz DPAIVLABYRMYDO-CQSZACIVSA-N -1 3 392.337 3.609 20 0 GHADHM Cc1cccc(C)c1NC(=O)C[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000929339552 1017668883 /nfs/dbraw/zinc/66/88/83/1017668883.db2.gz AUMIFDKZVZFYBO-UHFFFAOYSA-N -1 3 381.810 3.507 20 0 GHADHM O=C(Cc1cnccc1C(F)(F)F)Nc1cc(Br)ccc1[O-] ZINC000561270894 1017827371 /nfs/dbraw/zinc/82/73/71/1017827371.db2.gz XOJNFYCGKGKYAB-UHFFFAOYSA-N -1 3 375.144 3.750 20 0 GHADHM O=c1nc(CN[C@@H](c2ncccn2)C2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000932361813 1018225580 /nfs/dbraw/zinc/22/55/80/1018225580.db2.gz PESRQMZKQZFZNH-MRXNPFEDSA-N -1 3 379.445 3.688 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@@H](C)C4(CCCCC4)C3)c(=O)c2c(OC)c1 ZINC000626469907 1018783020 /nfs/dbraw/zinc/78/30/20/1018783020.db2.gz QVZMTLCAXZTRTF-OAHLLOKOSA-N -1 3 398.503 3.978 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CO[C@@H](C)CO[C@@H](C)COC ZINC001228135172 1032802533 /nfs/dbraw/zinc/80/25/33/1032802533.db2.gz XLDKBFOSPRPGBI-HRCADAONSA-N -1 3 382.497 3.771 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001228185906 1032829579 /nfs/dbraw/zinc/82/95/79/1032829579.db2.gz LRUQBSFXFHKISD-PUZFROQSSA-N -1 3 381.472 3.645 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(Cl)ccc1Cl ZINC000575754695 1019943811 /nfs/dbraw/zinc/94/38/11/1019943811.db2.gz DFOBFJMBNSSRRJ-UKRRQHHQSA-N -1 3 387.288 3.587 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccnc(SC(C)(C)C)c3)nc21 ZINC000778934058 1020005791 /nfs/dbraw/zinc/00/57/91/1020005791.db2.gz SWPOSXACKBATKQ-UHFFFAOYSA-N -1 3 384.461 3.887 20 0 GHADHM CC(C)N(CC1CCC1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001156139292 1032897292 /nfs/dbraw/zinc/89/72/92/1032897292.db2.gz CLWPFJCZZAMPNG-UHFFFAOYSA-N -1 3 377.282 3.941 20 0 GHADHM CC[C@@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000779274737 1020673169 /nfs/dbraw/zinc/67/31/69/1020673169.db2.gz SHCPCPZVCXUCFM-LJQANCHMSA-N -1 3 391.489 3.910 20 0 GHADHM COc1cc(Br)ccc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000190442741 1020687315 /nfs/dbraw/zinc/68/73/15/1020687315.db2.gz DVGHQYPLDUOKGJ-JTQLQIEISA-N -1 3 381.226 3.922 20 0 GHADHM COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000834608988 1021309836 /nfs/dbraw/zinc/30/98/36/1021309836.db2.gz PUDHUFMNYLLQQU-CYBMUJFWSA-N -1 3 388.851 3.545 20 0 GHADHM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000901957501 1021467665 /nfs/dbraw/zinc/46/76/65/1021467665.db2.gz QYYHCEVBERCAHA-LBDIVEORSA-N -1 3 382.460 3.675 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC000902142112 1021484675 /nfs/dbraw/zinc/48/46/75/1021484675.db2.gz CMBYHXRSSZUMTC-QGZVFWFLSA-N -1 3 392.455 3.985 20 0 GHADHM O=C([O-])c1cnc([C@H]2CCN(CCOc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000903924798 1021655688 /nfs/dbraw/zinc/65/56/88/1021655688.db2.gz PRBSIEDEIDJGLB-NSHDSACASA-N -1 3 386.395 3.728 20 0 GHADHM COc1ccc(CCN(Cc2cccc([O-])c2Br)C[C@@H](C)O)cc1 ZINC001140547203 1021948552 /nfs/dbraw/zinc/94/85/52/1021948552.db2.gz BNKVEXBXWBOGCR-CQSZACIVSA-N -1 3 394.309 3.589 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001228628206 1033018272 /nfs/dbraw/zinc/01/82/72/1033018272.db2.gz JNSDAQFFZFUEGR-DZGCQCFKSA-N -1 3 393.411 3.533 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccc(Cl)o1 ZINC000679537643 1022008578 /nfs/dbraw/zinc/00/85/78/1022008578.db2.gz YMIGTYFFYYKCLQ-SFHVURJKSA-N -1 3 398.846 3.816 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1Cl ZINC000680106692 1022094046 /nfs/dbraw/zinc/09/40/46/1022094046.db2.gz JAERYNNYDRYPDI-SNVBAGLBSA-N -1 3 380.199 3.684 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000681965996 1022340784 /nfs/dbraw/zinc/34/07/84/1022340784.db2.gz FJILTOQIYUCIII-UHFFFAOYSA-N -1 3 396.863 3.615 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228697093 1033053369 /nfs/dbraw/zinc/05/33/69/1033053369.db2.gz HQLCZRWHFFGISA-KRWDZBQOSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228697093 1033053383 /nfs/dbraw/zinc/05/33/83/1033053383.db2.gz HQLCZRWHFFGISA-KRWDZBQOSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228697093 1033053397 /nfs/dbraw/zinc/05/33/97/1033053397.db2.gz HQLCZRWHFFGISA-KRWDZBQOSA-N -1 3 393.447 3.738 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(OC)c([O-])c(OC)c3)co2)cc1 ZINC000754266058 1022568912 /nfs/dbraw/zinc/56/89/12/1022568912.db2.gz AFXSDIHXTVHBGW-UHFFFAOYSA-N -1 3 399.399 3.820 20 0 GHADHM Cc1ccc(Cc2cnc(NC([O-])=NO[C@H](CO)C(C)C)s2)cc1Cl ZINC000836230230 1022751843 /nfs/dbraw/zinc/75/18/43/1022751843.db2.gz LZTOXLTXPIXKQK-OAHLLOKOSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1ccc(Cc2cnc(NC(=O)[N-]O[C@H](CO)C(C)C)s2)cc1Cl ZINC000836230230 1022751859 /nfs/dbraw/zinc/75/18/59/1022751859.db2.gz LZTOXLTXPIXKQK-OAHLLOKOSA-N -1 3 383.901 3.766 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000836454996 1022987048 /nfs/dbraw/zinc/98/70/48/1022987048.db2.gz ROTPWYXZWQYION-UHFFFAOYSA-N -1 3 397.431 3.813 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000836454996 1022987053 /nfs/dbraw/zinc/98/70/53/1022987053.db2.gz ROTPWYXZWQYION-UHFFFAOYSA-N -1 3 397.431 3.813 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cccc(Cl)c1Br ZINC000755071754 1023060299 /nfs/dbraw/zinc/06/02/99/1023060299.db2.gz WYHVLMJLXZWVTD-LURJTMIESA-N -1 3 393.517 3.575 20 0 GHADHM COc1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC000755866755 1023409745 /nfs/dbraw/zinc/40/97/45/1023409745.db2.gz ODHCQEXVMDNUBN-UHFFFAOYSA-N -1 3 386.448 3.720 20 0 GHADHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000836900385 1023447757 /nfs/dbraw/zinc/44/77/57/1023447757.db2.gz DFMSRRIOXNINMH-OAHLLOKOSA-N -1 3 387.263 3.646 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228857731 1033139447 /nfs/dbraw/zinc/13/94/47/1033139447.db2.gz NRKYGIMVWHUGSN-KDOFPFPSSA-N -1 3 379.428 3.638 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000830697323 1024084994 /nfs/dbraw/zinc/08/49/94/1024084994.db2.gz IAQUVKFIFNTCCO-BEFAXECRSA-N -1 3 375.465 3.982 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001141252786 1024294835 /nfs/dbraw/zinc/29/48/35/1024294835.db2.gz ZSLDBMZREOGTCO-ZCFIWIBFSA-N -1 3 393.209 3.771 20 0 GHADHM CC(=O)OC[C@@H]1CCC2(C1)CCN(Cc1cn(CC(=O)[O-])c3ccccc13)CC2 ZINC001138197147 1024346341 /nfs/dbraw/zinc/34/63/41/1024346341.db2.gz INOLCLWSHWSQDH-GOSISDBHSA-N -1 3 398.503 3.671 20 0 GHADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837498771 1024507592 /nfs/dbraw/zinc/50/75/92/1024507592.db2.gz YERLLTCOCJWFEL-JTQLQIEISA-N -1 3 382.338 3.589 20 0 GHADHM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837560670 1024553198 /nfs/dbraw/zinc/55/31/98/1024553198.db2.gz VYMBVRZXEIYVCA-AWEZNQCLSA-N -1 3 383.231 3.533 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837603229 1024578825 /nfs/dbraw/zinc/57/88/25/1024578825.db2.gz DUASMNSLAGBCDF-SNVBAGLBSA-N -1 3 387.486 3.893 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CC[C@](CO)(C(F)(F)F)C3)cc2)c1 ZINC001141351045 1024663937 /nfs/dbraw/zinc/66/39/37/1024663937.db2.gz YPHICDYUVHKTMR-IBGZPJMESA-N -1 3 379.378 3.799 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)C(=O)CCN4)nc(=O)c2c1C ZINC000837967366 1024851120 /nfs/dbraw/zinc/85/11/20/1024851120.db2.gz TZXBBRDXVOVBHO-SNVBAGLBSA-N -1 3 397.456 3.930 20 0 GHADHM COc1cccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c1[O-] ZINC001161893428 1025478410 /nfs/dbraw/zinc/47/84/10/1025478410.db2.gz AQXCDNWNZWULIF-UHFFFAOYSA-N -1 3 391.836 3.737 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC001161934379 1025503846 /nfs/dbraw/zinc/50/38/46/1025503846.db2.gz WXMDBWZRJZSYFA-KCQAQPDRSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1ncc(Nc2nc(-c3ccccc3F)nc3ccc(Cl)cc32)c(=O)[n-]1 ZINC001162298885 1025707464 /nfs/dbraw/zinc/70/74/64/1025707464.db2.gz XWJDZBQEPWVFDV-MRXNPFEDSA-N -1 3 381.798 3.899 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139097074 1025909154 /nfs/dbraw/zinc/90/91/54/1025909154.db2.gz RVXTYYFLADXGJF-GFCCVEGCSA-N -1 3 384.281 3.576 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3ccccc3Sc3ccccc3)c2c(=O)n1C ZINC001162761591 1025909206 /nfs/dbraw/zinc/90/92/06/1025909206.db2.gz MJCBPFBPSUTKNO-UHFFFAOYSA-N -1 3 390.468 3.974 20 0 GHADHM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)Nc1ccc(Br)cc1[O-] ZINC001141623190 1025932170 /nfs/dbraw/zinc/93/21/70/1025932170.db2.gz YDNZLTNIUUUPMG-CABZTGNLSA-N -1 3 382.176 3.983 20 0 GHADHM COc1cccc(CN2CCC3(CCc4ccc(C)cc43)CC2)c1OCC(=O)[O-] ZINC001139265623 1026113382 /nfs/dbraw/zinc/11/33/82/1026113382.db2.gz LJKVGNIUJILQQS-UHFFFAOYSA-N -1 3 395.499 3.947 20 0 GHADHM O=C1CCC2(CCC(Nc3ccc(=S)[n-]n3)CC2)N1Cc1cccc(F)c1 ZINC001163565004 1026236178 /nfs/dbraw/zinc/23/61/78/1026236178.db2.gz CMEUDUIIEBAFPC-UHFFFAOYSA-N -1 3 386.496 3.820 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccc(Br)s1 ZINC001164092561 1026409781 /nfs/dbraw/zinc/40/97/81/1026409781.db2.gz QANLTXNVRAWNBV-MRVPVSSYSA-N -1 3 380.271 3.872 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccc(Br)s1 ZINC001164092561 1026409785 /nfs/dbraw/zinc/40/97/85/1026409785.db2.gz QANLTXNVRAWNBV-MRVPVSSYSA-N -1 3 380.271 3.872 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1c(Br)cc(F)cc1C(F)(F)F ZINC001164375867 1026498507 /nfs/dbraw/zinc/49/85/07/1026498507.db2.gz WHNOZESVRPATME-ZETCQYMHSA-N -1 3 382.155 3.531 20 0 GHADHM Cc1cc(C)c(NC(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c(C)c1 ZINC001202959743 1026551168 /nfs/dbraw/zinc/55/11/68/1026551168.db2.gz XEHRYJGFCYJYIM-HNNXBMFYSA-N -1 3 375.469 3.659 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCCN(c2ccccc2F)CC1 ZINC001140146757 1026921344 /nfs/dbraw/zinc/92/13/44/1026921344.db2.gz JNFNBUQCMXWZIO-UHFFFAOYSA-N -1 3 399.853 3.673 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)cc1 ZINC001166214449 1026944204 /nfs/dbraw/zinc/94/42/04/1026944204.db2.gz BRVQJNCQRLEFOZ-FQEVSTJZSA-N -1 3 375.428 3.588 20 0 GHADHM CC(C)(C)OC(=O)N1CC(n2cc([N-]c3nnc(C(C)(C)C)s3)cn2)C1 ZINC001209826111 1027225657 /nfs/dbraw/zinc/22/56/57/1027225657.db2.gz AASVCTHFMZMDMY-UHFFFAOYSA-N -1 3 378.502 3.568 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1csnc1-c1ccccc1 ZINC001209901498 1027269078 /nfs/dbraw/zinc/26/90/78/1027269078.db2.gz XAACSWGAHMSTRX-UHFFFAOYSA-N -1 3 388.489 3.959 20 0 GHADHM Cc1ccc2ncc(COC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2c1 ZINC000840204360 1027345256 /nfs/dbraw/zinc/34/52/56/1027345256.db2.gz KLVDFDZJCNYKRO-HXUWFJFHSA-N -1 3 390.439 3.597 20 0 GHADHM CC1(C)CC[C@@H](OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1=O ZINC000840206395 1027345984 /nfs/dbraw/zinc/34/59/84/1027345984.db2.gz LWSLTPQCBTYDMN-RTBURBONSA-N -1 3 395.455 3.554 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)Oc1ccc(F)cc1 ZINC001210180330 1027375145 /nfs/dbraw/zinc/37/51/45/1027375145.db2.gz LGMIIDQYCQDXET-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM Cc1ccc(C(=O)N2CC=CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001141839663 1027401922 /nfs/dbraw/zinc/40/19/22/1027401922.db2.gz FSHLNHCVEMUJGG-UHFFFAOYSA-N -1 3 394.855 3.600 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC001141843322 1027414500 /nfs/dbraw/zinc/41/45/00/1027414500.db2.gz BZYWCNFXUGVOSJ-SNVBAGLBSA-N -1 3 376.247 3.840 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC001141843322 1027414501 /nfs/dbraw/zinc/41/45/01/1027414501.db2.gz BZYWCNFXUGVOSJ-SNVBAGLBSA-N -1 3 376.247 3.840 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)SC ZINC001210279217 1027423006 /nfs/dbraw/zinc/42/30/06/1027423006.db2.gz ANQZENLWTMRTJV-UHFFFAOYSA-N -1 3 389.436 3.924 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2C)c(C)c1Cl ZINC001210526052 1027543801 /nfs/dbraw/zinc/54/38/01/1027543801.db2.gz QOLQEXCTFBXLCM-MWLCHTKSSA-N -1 3 393.958 3.990 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2OC(C)C)cc1F ZINC001210731878 1027627976 /nfs/dbraw/zinc/62/79/76/1027627976.db2.gz MDZFJRNDWTVJPI-UHFFFAOYSA-N -1 3 385.432 3.548 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854377 1027679499 /nfs/dbraw/zinc/67/94/99/1027679499.db2.gz SDJVXABSFZEULW-UHFFFAOYSA-N -1 3 384.885 3.828 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001210944798 1027713958 /nfs/dbraw/zinc/71/39/58/1027713958.db2.gz YUYRRPQLUIFXPM-SNGWPZLWSA-N -1 3 387.929 3.987 20 0 GHADHM COC(=O)c1cc(Br)c([N-]c2nccs2)c(Br)n1 ZINC001210991335 1027741743 /nfs/dbraw/zinc/74/17/43/1027741743.db2.gz ZKWPKFRNQJGQOM-UHFFFAOYSA-N -1 3 393.060 3.593 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1(C)Cc2ccccc2C1 ZINC001211062338 1027772309 /nfs/dbraw/zinc/77/23/09/1027772309.db2.gz RTVMVRANRXRSOG-UHFFFAOYSA-N -1 3 386.336 3.655 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C)ccc1OCc1ccccc1 ZINC001204037199 1027828526 /nfs/dbraw/zinc/82/85/26/1027828526.db2.gz NSYCOTDJIXWCCC-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C)ccc1OCc1ccccc1 ZINC001204037199 1027828550 /nfs/dbraw/zinc/82/85/50/1027828550.db2.gz NSYCOTDJIXWCCC-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)c1 ZINC001211366760 1027923186 /nfs/dbraw/zinc/92/31/86/1027923186.db2.gz TVDIGHKRPCANDR-VIFPVBQESA-N -1 3 391.873 3.675 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OC(C)(C)C ZINC001211409057 1027946763 /nfs/dbraw/zinc/94/67/63/1027946763.db2.gz DZEHPJCPTXAYII-ZBEGNZNMSA-N -1 3 399.484 3.915 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc[nH]2)c(Br)c1 ZINC001211411995 1027948080 /nfs/dbraw/zinc/94/80/80/1027948080.db2.gz CEQSMVJYSHJYPR-SECBINFHSA-N -1 3 377.691 3.779 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1Cl ZINC001211466809 1027974556 /nfs/dbraw/zinc/97/45/56/1027974556.db2.gz FRRSJPYTMDATGW-ATZCPNFKSA-N -1 3 379.931 3.600 20 0 GHADHM O=S(=O)([N-]CCCc1ccco1)c1cc(Br)ccc1Cl ZINC001213238195 1028062333 /nfs/dbraw/zinc/06/23/33/1028062333.db2.gz OUFLZETUALAGLM-UHFFFAOYSA-N -1 3 378.675 3.607 20 0 GHADHM O=c1cc(-c2nc(-c3cc(F)c(F)cc3Br)no2)nc(C2CC2)[n-]1 ZINC001213259330 1028074885 /nfs/dbraw/zinc/07/48/85/1028074885.db2.gz VLSJHWOPYSCWCT-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3c(Cl)cc([O-])cc3Cl)O2)n1 ZINC001142109526 1028129092 /nfs/dbraw/zinc/12/90/92/1028129092.db2.gz TXTSRSNHCNQFLA-OAGGEKHMSA-N -1 3 384.263 3.885 20 0 GHADHM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001213453867 1028201689 /nfs/dbraw/zinc/20/16/89/1028201689.db2.gz NARBHMKDANPFKJ-OAHLLOKOSA-N -1 3 394.320 3.701 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1cccc(OC(F)(F)F)c1 ZINC001213607116 1028291660 /nfs/dbraw/zinc/29/16/60/1028291660.db2.gz FHWZHTYLFGHCHZ-MRVPVSSYSA-N -1 3 398.765 3.812 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OC(C)(C)C)c1 ZINC001213910647 1028445840 /nfs/dbraw/zinc/44/58/40/1028445840.db2.gz XILLZTREFGHBEA-OAHLLOKOSA-N -1 3 391.480 3.733 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)c1 ZINC001213907987 1028445893 /nfs/dbraw/zinc/44/58/93/1028445893.db2.gz YYMPBZKNROCGAG-LJQANCHMSA-N -1 3 389.517 3.806 20 0 GHADHM CC(C)(C)OC(=O)NCCOc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001213980764 1028488355 /nfs/dbraw/zinc/48/83/55/1028488355.db2.gz RSTIJLLIFHCZKA-UHFFFAOYSA-N -1 3 386.452 3.707 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(N)cc3)cc2)c1 ZINC001214162661 1028575444 /nfs/dbraw/zinc/57/54/44/1028575444.db2.gz QGQZVAKPZLBVHD-UHFFFAOYSA-N -1 3 395.484 3.939 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1N ZINC001215052875 1029014834 /nfs/dbraw/zinc/01/48/34/1029014834.db2.gz JMXMPFBQDUXJLA-UHFFFAOYSA-N -1 3 381.885 3.708 20 0 GHADHM COc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1I ZINC001215141866 1029055297 /nfs/dbraw/zinc/05/52/97/1029055297.db2.gz FCADPXYFJWEPQE-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cc(I)ccc2F)no1 ZINC001215302027 1029139244 /nfs/dbraw/zinc/13/92/44/1029139244.db2.gz OPDMVYZKOSSITR-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM Cc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1OCC1CCCCC1 ZINC001215428059 1029202472 /nfs/dbraw/zinc/20/24/72/1029202472.db2.gz SFGIXZLGDGBRLS-QGZVFWFLSA-N -1 3 386.496 3.588 20 0 GHADHM COc1ccc2cccc(-c3noc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)c2c1 ZINC001215448204 1029213413 /nfs/dbraw/zinc/21/34/13/1029213413.db2.gz XUIWRHRHMPMRCY-UHFFFAOYSA-N -1 3 395.440 3.937 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc([N-]C(=O)C(=O)c2ccccc2)on1 ZINC001142684291 1029265378 /nfs/dbraw/zinc/26/53/78/1029265378.db2.gz ZVWSGXZWTCHADG-OAHLLOKOSA-N -1 3 385.420 3.568 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)c(SC)c(F)c1)OCC ZINC001215922375 1029457437 /nfs/dbraw/zinc/45/74/37/1029457437.db2.gz CHDFJVHZEQEYJG-UHFFFAOYSA-N -1 3 385.436 3.868 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(N(C)C)c(Cl)c1)OCC ZINC001216058989 1029512382 /nfs/dbraw/zinc/51/23/82/1029512382.db2.gz RXHRDSJTOYXTMA-UHFFFAOYSA-N -1 3 380.876 3.587 20 0 GHADHM Cc1cc(Br)cc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC001216121479 1029532090 /nfs/dbraw/zinc/53/20/90/1029532090.db2.gz PHCPTZMBVCRIPD-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(Br)cc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC001216121479 1029532103 /nfs/dbraw/zinc/53/21/03/1029532103.db2.gz PHCPTZMBVCRIPD-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=C([O-])[C@@H](CCNCc1cc(Br)cnc1Cl)Cc1ccccc1 ZINC000843303831 1029901216 /nfs/dbraw/zinc/90/12/16/1029901216.db2.gz IREYWIJASHLHHW-ZDUSSCGKSA-N -1 3 397.700 3.921 20 0 GHADHM COc1cc(-c2noc(-c3cc(O)ccc3[O-])n2)cc(Br)c1OC ZINC001216735840 1029911545 /nfs/dbraw/zinc/91/15/45/1029911545.db2.gz YXMDDABTYQHDMA-UHFFFAOYSA-N -1 3 393.193 3.595 20 0 GHADHM Cc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)cc1I ZINC001216737122 1029912964 /nfs/dbraw/zinc/91/29/64/1029912964.db2.gz STTBSXIKNMAPTF-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cccc(OC(F)F)c3)no2)c1C ZINC001216962241 1030036453 /nfs/dbraw/zinc/03/64/53/1030036453.db2.gz VBCSVPLSRADTEB-UHFFFAOYSA-N -1 3 387.342 3.590 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N(C)c2ncc(C(F)(F)F)cc2N)c1[O-] ZINC001149190346 1030083630 /nfs/dbraw/zinc/08/36/30/1030083630.db2.gz KAWQSBZKLCHPHS-UHFFFAOYSA-N -1 3 376.338 3.521 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3C)c1[O-] ZINC001149197541 1030086638 /nfs/dbraw/zinc/08/66/38/1030086638.db2.gz OARMPSJBTRTMMC-UHFFFAOYSA-N -1 3 376.416 3.503 20 0 GHADHM Cc1ccc([C@@]2(C)CN(C(=O)c3c([O-])c(C)nc4ccccc43)CCO2)cc1 ZINC001149197789 1030088237 /nfs/dbraw/zinc/08/82/37/1030088237.db2.gz PKKRQDWFARBJGZ-HSZRJFAPSA-N -1 3 376.456 3.945 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3ccc([O-])cc3OC)n2)c1 ZINC001217085031 1030150367 /nfs/dbraw/zinc/15/03/67/1030150367.db2.gz FVHVUXOXGXJSHN-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2cccc(C(=O)Cn3ccnc3C)c2)no1 ZINC001217085938 1030152491 /nfs/dbraw/zinc/15/24/91/1030152491.db2.gz VIOVLFPXTPPXMV-UHFFFAOYSA-N -1 3 390.399 3.506 20 0 GHADHM [O-]c1cc(O)c(-c2nc(-c3ccccc3F)no2)cc1I ZINC001217116082 1030177921 /nfs/dbraw/zinc/17/79/21/1030177921.db2.gz OQWOLVQCTXOVHP-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM COc1cc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)cc(OC)c1OC ZINC001217257311 1030262264 /nfs/dbraw/zinc/26/22/64/1030262264.db2.gz QOPVJURZNAVXEP-UHFFFAOYSA-N -1 3 386.795 3.959 20 0 GHADHM COc1cc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)cc(OC)c1OC ZINC001217257311 1030262276 /nfs/dbraw/zinc/26/22/76/1030262276.db2.gz QOPVJURZNAVXEP-UHFFFAOYSA-N -1 3 386.795 3.959 20 0 GHADHM Brc1ccc2[n-]c(-c3nc(-c4ccc5c(c4)OCO5)no3)nc2c1 ZINC001217322259 1030309450 /nfs/dbraw/zinc/30/94/50/1030309450.db2.gz WLWKSAHCGQKTCX-UHFFFAOYSA-N -1 3 385.177 3.771 20 0 GHADHM Brc1ccc2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)[n-]c2c1 ZINC001217322259 1030309469 /nfs/dbraw/zinc/30/94/69/1030309469.db2.gz WLWKSAHCGQKTCX-UHFFFAOYSA-N -1 3 385.177 3.771 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3[n-]nc4c3cccc4F)n2)n1 ZINC001217323750 1030310632 /nfs/dbraw/zinc/31/06/32/1030310632.db2.gz XKHGGRKSKHJZRS-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cc(C(F)(F)F)ccc3F)no2)C1=O ZINC001217354272 1030329858 /nfs/dbraw/zinc/32/98/58/1030329858.db2.gz BZTGKKPCQSOKIG-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2cccc3c2[N-]C(=O)C3=O)n1 ZINC001217355488 1030331677 /nfs/dbraw/zinc/33/16/77/1030331677.db2.gz VAYYSQHHEBDRPC-UHFFFAOYSA-N -1 3 389.289 3.745 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1coc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001149876462 1030336217 /nfs/dbraw/zinc/33/62/17/1030336217.db2.gz WGYJSJUDZWUQAI-UHFFFAOYSA-N -1 3 386.404 3.691 20 0 GHADHM [O-]c1ccc(-c2nc(-c3ccc(OC4COC4)c(F)c3)no2)c2cccnc12 ZINC001217491705 1030437311 /nfs/dbraw/zinc/43/73/11/1030437311.db2.gz GODGYTLRABQAKR-UHFFFAOYSA-N -1 3 379.347 3.574 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC001150178888 1030438815 /nfs/dbraw/zinc/43/88/15/1030438815.db2.gz PMHPCZMGZAAQRU-UHFFFAOYSA-N -1 3 385.427 3.941 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC001150178888 1030438828 /nfs/dbraw/zinc/43/88/28/1030438828.db2.gz PMHPCZMGZAAQRU-UHFFFAOYSA-N -1 3 385.427 3.941 20 0 GHADHM Cc1cnc(-c2noc(-c3nc4nc(Cl)ccc4[n-]3)n2)c(Br)c1 ZINC001217553190 1030486349 /nfs/dbraw/zinc/48/63/49/1030486349.db2.gz ZYVXYRBRWHUHOA-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1cnc(-c2noc(-c3nc4ccc(Cl)[n-]c-4n3)n2)c(Br)c1 ZINC001217553190 1030486365 /nfs/dbraw/zinc/48/63/65/1030486365.db2.gz ZYVXYRBRWHUHOA-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1cnc(-c2noc(-c3nc4ccc(Cl)nc4[n-]3)n2)c(Br)c1 ZINC001217553190 1030486377 /nfs/dbraw/zinc/48/63/77/1030486377.db2.gz ZYVXYRBRWHUHOA-UHFFFAOYSA-N -1 3 391.616 3.794 20 0 GHADHM Cc1nc2ccccn2c1NC(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150464686 1030534528 /nfs/dbraw/zinc/53/45/28/1030534528.db2.gz VSYDPBVVEUIALS-UHFFFAOYSA-N -1 3 386.333 3.755 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)cc1)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150465164 1030534542 /nfs/dbraw/zinc/53/45/42/1030534542.db2.gz JHZCDEYCPXGVEQ-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc3onc(C)c3c2)no1 ZINC001217636990 1030559542 /nfs/dbraw/zinc/55/95/42/1030559542.db2.gz UDOBXGMMGRIYFM-UHFFFAOYSA-N -1 3 375.344 3.516 20 0 GHADHM CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001150817168 1030671855 /nfs/dbraw/zinc/67/18/55/1030671855.db2.gz WLHLWSTUVXDDIB-MRXNPFEDSA-N -1 3 382.460 3.652 20 0 GHADHM CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cccc(CC)c1[O-] ZINC001150845310 1030682505 /nfs/dbraw/zinc/68/25/05/1030682505.db2.gz PMGOOUMCKFGIAG-UHFFFAOYSA-N -1 3 398.431 3.635 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1cc2c(cccc2Br)s1 ZINC001151177923 1030794904 /nfs/dbraw/zinc/79/49/04/1030794904.db2.gz WCNUBESEEJDXAS-UHFFFAOYSA-N -1 3 395.234 3.999 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC001151328887 1030864279 /nfs/dbraw/zinc/86/42/79/1030864279.db2.gz MGEHBNFPVDLDRX-ZDUSSCGKSA-N -1 3 382.888 3.955 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1csc(C)c1C(=O)OC ZINC001151366092 1030880355 /nfs/dbraw/zinc/88/03/55/1030880355.db2.gz DNYSYHRRGOXHOW-UHFFFAOYSA-N -1 3 386.429 3.753 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001152336977 1031196973 /nfs/dbraw/zinc/19/69/73/1031196973.db2.gz XBWKAJZGCLTRSL-NSHDSACASA-N -1 3 377.466 3.990 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)CCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001219168654 1031284488 /nfs/dbraw/zinc/28/44/88/1031284488.db2.gz MHQPIGSSRSOBNO-SECBINFHSA-N -1 3 381.358 3.615 20 0 GHADHM Cc1cc([N-]C(=O)c2nc3c(cccc3F)s2)n(C(=O)OC(C)(C)C)n1 ZINC001152625211 1031306503 /nfs/dbraw/zinc/30/65/03/1031306503.db2.gz NOLYZHVGRKHHHC-UHFFFAOYSA-N -1 3 376.413 3.976 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1ccc2c([O-])coc2c1)c1ccc(F)cc1 ZINC001225340094 1031355238 /nfs/dbraw/zinc/35/52/38/1031355238.db2.gz CIFYHBLBBZBTHK-QGZVFWFLSA-N -1 3 380.318 3.719 20 0 GHADHM CN(C)c1cc(F)cc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001219376395 1031387091 /nfs/dbraw/zinc/38/70/91/1031387091.db2.gz BGZHWMPTHREHEP-UHFFFAOYSA-N -1 3 382.233 3.682 20 0 GHADHM Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001219437950 1031419329 /nfs/dbraw/zinc/41/93/29/1031419329.db2.gz FQLJJSJWTZEADN-UHFFFAOYSA-N -1 3 378.413 3.604 20 0 GHADHM Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001219437950 1031419338 /nfs/dbraw/zinc/41/93/38/1031419338.db2.gz FQLJJSJWTZEADN-UHFFFAOYSA-N -1 3 378.413 3.604 20 0 GHADHM COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])CCCC2 ZINC001153437165 1031590947 /nfs/dbraw/zinc/59/09/47/1031590947.db2.gz JHIPSOYECYMXAM-GOSISDBHSA-N -1 3 398.459 3.565 20 0 GHADHM COC(=O)[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1Cl ZINC001225850920 1031651529 /nfs/dbraw/zinc/65/15/29/1031651529.db2.gz QOEHWNYXXWFXHS-LLVKDONJSA-N -1 3 378.759 3.731 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001225904725 1031686351 /nfs/dbraw/zinc/68/63/51/1031686351.db2.gz YLPHKKGDEUVLOJ-UHFFFAOYSA-N -1 3 386.354 3.806 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)OC(C)(C)C)c1 ZINC001225999568 1031735198 /nfs/dbraw/zinc/73/51/98/1031735198.db2.gz YAONYAXNPMGNAX-NONVJHHQSA-N -1 3 379.428 3.852 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc2ccc(C(F)(F)F)cc2n1 ZINC001153779518 1031741454 /nfs/dbraw/zinc/74/14/54/1031741454.db2.gz XBDRWQNIPYPOBA-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc2ccc(C(F)(F)F)cc2n1 ZINC001153779518 1031741461 /nfs/dbraw/zinc/74/14/61/1031741461.db2.gz XBDRWQNIPYPOBA-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM Cc1cc(O)cc(C)c1NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877654 1031788450 /nfs/dbraw/zinc/78/84/50/1031788450.db2.gz FRXRKJJGGRHDRW-UHFFFAOYSA-N -1 3 387.233 3.865 20 0 GHADHM CC(C)(CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O)c1ccccc1 ZINC001153877815 1031789136 /nfs/dbraw/zinc/78/91/36/1031789136.db2.gz HWSLPKJKTXYOAI-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM COC(=O)c1cccc2nc(NC(=O)c3c([O-])cc4ccccc4c3O)sc21 ZINC001154019854 1031878068 /nfs/dbraw/zinc/87/80/68/1031878068.db2.gz UGAPRTXKBXSWGV-UHFFFAOYSA-N -1 3 394.408 3.900 20 0 GHADHM COc1cccc2c1SC[C@H](NC(=O)c1c(O)cc3ccccc3c1[O-])C2 ZINC001154030289 1031886171 /nfs/dbraw/zinc/88/61/71/1031886171.db2.gz NUJJZQTXDNOCPH-CQSZACIVSA-N -1 3 381.453 3.706 20 0 GHADHM O=C(NCc1coc(-c2ccc(F)cc2)n1)c1c(O)cc2ccccc2c1[O-] ZINC001154030662 1031887884 /nfs/dbraw/zinc/88/78/84/1031887884.db2.gz WYIBYUKFACGFIQ-UHFFFAOYSA-N -1 3 378.359 3.975 20 0 GHADHM O=c1nc2ccc(F)cc2c(O/C(=C\[C@@H](O)C(F)(F)F)c2cccs2)[n-]1 ZINC001226407833 1031949723 /nfs/dbraw/zinc/94/97/23/1031949723.db2.gz YNVGRMLKFDMXMV-LWMSPQMPSA-N -1 3 386.326 3.879 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc(C)c3Br)[n-]nc21 ZINC001154146865 1031951263 /nfs/dbraw/zinc/95/12/63/1031951263.db2.gz JGVKGQYUXUSFQV-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc(C)c3Br)n[n-]c21 ZINC001154146865 1031951271 /nfs/dbraw/zinc/95/12/71/1031951271.db2.gz JGVKGQYUXUSFQV-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM O=C(Nc1ccc2cnccc2c1Br)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209494 1031986439 /nfs/dbraw/zinc/98/64/39/1031986439.db2.gz DXOCTSIDEZZKSX-UHFFFAOYSA-N -1 3 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[O-]c1ccc(F)c(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1F ZINC001233394382 1039226942 /nfs/dbraw/zinc/22/69/42/1039226942.db2.gz LOPOOOYTJIPXSC-NQIIRXRSSA-N -1 3 390.430 3.516 20 0 GHADHM COc1ccc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(Cl)c1[O-] ZINC001233398152 1039232157 /nfs/dbraw/zinc/23/21/57/1039232157.db2.gz AIKLMPQNFUJKDY-OXJNMPFZSA-N -1 3 381.900 3.604 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC23CC3)c(Cl)c1[O-] ZINC001233398616 1039235491 /nfs/dbraw/zinc/23/54/91/1039235491.db2.gz SFPOAPPWVZUCNU-UHFFFAOYSA-N -1 3 382.888 3.640 20 0 GHADHM CCOc1cccc(N2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)c1 ZINC001233400975 1039241106 /nfs/dbraw/zinc/24/11/06/1039241106.db2.gz HEWORTLEHUSJEH-UHFFFAOYSA-N -1 3 376.884 3.775 20 0 GHADHM COc1ccc(CN2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401595 1039242879 /nfs/dbraw/zinc/24/28/79/1039242879.db2.gz GZGYHBUYQCZNKY-OCCSQVGLSA-N -1 3 384.904 3.789 20 0 GHADHM COc1ccc(CN2CCN(c3cccc(Cl)c3)C(=O)C2)c(Cl)c1[O-] ZINC001233401358 1039243167 /nfs/dbraw/zinc/24/31/67/1039243167.db2.gz WVZDYAKXPNAKAF-UHFFFAOYSA-N -1 3 381.259 3.556 20 0 GHADHM COc1cc(OC2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)ccn1 ZINC001233401593 1039244133 /nfs/dbraw/zinc/24/41/33/1039244133.db2.gz GWQWXBJDJVFXJP-UHFFFAOYSA-N -1 3 378.856 3.501 20 0 GHADHM COc1ccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c(Cl)c1[O-] ZINC001233402109 1039245088 /nfs/dbraw/zinc/24/50/88/1039245088.db2.gz BVNBWAKPPBHEKJ-UHFFFAOYSA-N -1 3 386.879 3.505 20 0 GHADHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001254215276 1040069739 /nfs/dbraw/zinc/06/97/39/1040069739.db2.gz HLLGDZHCOKUVIL-CQSZACIVSA-N -1 3 379.382 3.831 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)c1cn(C)nc1C ZINC001234606365 1040163588 /nfs/dbraw/zinc/16/35/88/1040163588.db2.gz AVLGMKJRTDZCGV-SNVBAGLBSA-N -1 3 383.242 3.513 20 0 GHADHM COc1c([O-])cc2c(c1OC1=C(C)[C@H](C)OC1=O)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234758885 1040288010 /nfs/dbraw/zinc/28/80/10/1040288010.db2.gz KJFJIKGQCRZPEH-LRDDRELGSA-N -1 3 396.395 3.705 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1C(C)=O ZINC001234791703 1040322906 /nfs/dbraw/zinc/32/29/06/1040322906.db2.gz QPKBJSXBKNBMBP-IIAWOOMASA-N -1 3 391.464 3.546 20 0 GHADHM Cc1cc(=O)c2c(OC3CCN(CCc4ccccc4)CC3)cc([O-])cc2o1 ZINC001234819989 1040348964 /nfs/dbraw/zinc/34/89/64/1040348964.db2.gz OUAJYJYSTTVJKZ-UHFFFAOYSA-N -1 3 379.456 3.893 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2F)cn1 ZINC001254958777 1040689385 /nfs/dbraw/zinc/68/93/85/1040689385.db2.gz IMUDEXPLYGLCIS-UHFFFAOYSA-N -1 3 383.807 3.913 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001255353563 1040958063 /nfs/dbraw/zinc/95/80/63/1040958063.db2.gz WGLLNCLBJWOSDL-UHFFFAOYSA-N -1 3 392.908 3.939 20 0 GHADHM CC1(c2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)COC1 ZINC001255808918 1041314765 /nfs/dbraw/zinc/31/47/65/1041314765.db2.gz KCGWYSIJRYTNFU-UHFFFAOYSA-N -1 3 387.379 3.674 20 0 GHADHM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255869449 1041357915 /nfs/dbraw/zinc/35/79/15/1041357915.db2.gz LMUYHXGKPAQVEJ-UHFFFAOYSA-N -1 3 386.182 3.911 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)ccc2[n-]1 ZINC001235921457 1041431559 /nfs/dbraw/zinc/43/15/59/1041431559.db2.gz GULJZNZBWLZYJL-UHFFFAOYSA-N -1 3 380.448 3.622 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3)[n-]c-2n1 ZINC001235921457 1041431566 /nfs/dbraw/zinc/43/15/66/1041431566.db2.gz GULJZNZBWLZYJL-UHFFFAOYSA-N -1 3 380.448 3.622 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-] ZINC001255956588 1041434843 /nfs/dbraw/zinc/43/48/43/1041434843.db2.gz IGDKSENVTZMWTG-UHFFFAOYSA-N -1 3 395.786 3.552 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(F)cc1F ZINC001256110437 1041535521 /nfs/dbraw/zinc/53/55/21/1041535521.db2.gz PDSVYZVNENRPOV-PMACEKPBSA-N -1 3 389.423 3.718 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccn2)cc1)c1ccc(F)cc1F ZINC001256117239 1041549413 /nfs/dbraw/zinc/54/94/13/1041549413.db2.gz BENRZAXBBKTTDK-UHFFFAOYSA-N -1 3 376.384 3.631 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1F)c1ccc(F)cc1F ZINC001256119610 1041552855 /nfs/dbraw/zinc/55/28/55/1041552855.db2.gz ZIMYSSIVKVBTLD-GOSISDBHSA-N -1 3 399.434 3.940 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1ccc(Br)c([O-])c1 ZINC001236684589 1041830082 /nfs/dbraw/zinc/83/00/82/1041830082.db2.gz UFYMAKPYUVORSA-HUUCEWRRSA-N -1 3 397.313 3.738 20 0 GHADHM Cc1cccnc1OC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236695422 1041836636 /nfs/dbraw/zinc/83/66/36/1041836636.db2.gz LMMFVTRIZQOJOQ-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(N)ccc1Br ZINC001237776402 1042365028 /nfs/dbraw/zinc/36/50/28/1042365028.db2.gz QTHLCHRFSPZOHW-UHFFFAOYSA-N -1 3 392.278 3.689 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)CCN3)c1 ZINC001237969169 1042440475 /nfs/dbraw/zinc/44/04/75/1042440475.db2.gz AFCBWVXQOPGWBR-UHFFFAOYSA-N -1 3 388.489 3.676 20 0 GHADHM O=C([N-]Cc1noc2ccccc21)C(F)(F)c1ccc(Br)cc1 ZINC001462704473 1070483843 /nfs/dbraw/zinc/48/38/43/1070483843.db2.gz GNNPCGHIBNAFPF-UHFFFAOYSA-N -1 3 381.176 3.999 20 0 GHADHM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001291722544 1043421743 /nfs/dbraw/zinc/42/17/43/1043421743.db2.gz PNZVSZBSOITDJL-UHFFFAOYSA-N -1 3 388.402 3.955 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCOCC1)c1ccc(Cl)s1 ZINC001256541475 1043493836 /nfs/dbraw/zinc/49/38/36/1043493836.db2.gz MLDRXNAGOSXDNV-MRXNPFEDSA-N -1 3 389.901 3.987 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F ZINC001462736252 1070509928 /nfs/dbraw/zinc/50/99/28/1070509928.db2.gz BZKSEBXHFQLRRJ-LJQANCHMSA-N -1 3 397.443 3.720 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nnc(-c2ccc(OC(C)C)cc2)o1 ZINC001256871178 1043711869 /nfs/dbraw/zinc/71/18/69/1043711869.db2.gz DFLPRIQENSWLPF-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM COC(=O)c1cccc2c(-c3nnc(-c4ccc(OC(C)C)cc4)o3)n[n-]c21 ZINC001256871178 1043711883 /nfs/dbraw/zinc/71/18/83/1043711883.db2.gz DFLPRIQENSWLPF-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432046 1043730786 /nfs/dbraw/zinc/73/07/86/1043730786.db2.gz BATAFYINLBOJOK-CRAIPNDOSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432046 1043730799 /nfs/dbraw/zinc/73/07/99/1043730799.db2.gz BATAFYINLBOJOK-CRAIPNDOSA-N -1 3 398.264 3.546 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)C)cc2)cc1OC ZINC001257110799 1043854560 /nfs/dbraw/zinc/85/45/60/1043854560.db2.gz XRIXVMGHUIMOCF-UHFFFAOYSA-N -1 3 379.478 3.930 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001293131407 1044030445 /nfs/dbraw/zinc/03/04/45/1044030445.db2.gz YJYLJHWLBVPZJN-WCFLWFBJSA-N -1 3 390.427 3.842 20 0 GHADHM COC(=O)N(C)Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001293340095 1044123807 /nfs/dbraw/zinc/12/38/07/1044123807.db2.gz ZFJJTLQQFBHVLL-UHFFFAOYSA-N -1 3 399.834 3.632 20 0 GHADHM COc1cccc([O-])c1C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC001293545774 1044234077 /nfs/dbraw/zinc/23/40/77/1044234077.db2.gz GJKNHHWMGUDDKE-UHFFFAOYSA-N -1 3 383.473 3.742 20 0 GHADHM CNC(=O)c1cc(C)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001293905210 1044372235 /nfs/dbraw/zinc/37/22/35/1044372235.db2.gz AHEBTAGINIKLGI-UHFFFAOYSA-N -1 3 390.439 3.892 20 0 GHADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001462817622 1070569252 /nfs/dbraw/zinc/56/92/52/1070569252.db2.gz RESHBFBRTAEQCE-QWRGUYRKSA-N -1 3 379.931 3.744 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1NC(=O)OC(C)(C)C ZINC001258762346 1044752470 /nfs/dbraw/zinc/75/24/70/1044752470.db2.gz WGRWJNIQOZCSLP-NSHDSACASA-N -1 3 395.481 3.678 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001258805289 1044772508 /nfs/dbraw/zinc/77/25/08/1044772508.db2.gz RINKERMAUMVOGD-UHFFFAOYSA-N -1 3 383.882 3.547 20 0 GHADHM COc1cc(F)c(Br)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001299537931 1044820742 /nfs/dbraw/zinc/82/07/42/1044820742.db2.gz IQWSSXWQAPCYFC-UHFFFAOYSA-N -1 3 382.185 3.757 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1sccc1-n1cccc1 ZINC001294872606 1044824069 /nfs/dbraw/zinc/82/40/69/1044824069.db2.gz MUKJBMGTECTEFD-UHFFFAOYSA-N -1 3 377.263 3.937 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)COC1)c1ccc(Cl)cc1Cl ZINC001258893787 1044849868 /nfs/dbraw/zinc/84/98/68/1044849868.db2.gz PJSWMOZOGFYRSQ-UHFFFAOYSA-N -1 3 392.691 3.851 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)c(OC)c1 ZINC001258959230 1044907040 /nfs/dbraw/zinc/90/70/40/1044907040.db2.gz PAEUCUBDSZVQOP-UHFFFAOYSA-N -1 3 379.331 3.663 20 0 GHADHM COc1cccc([O-])c1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001295108352 1044918901 /nfs/dbraw/zinc/91/89/01/1044918901.db2.gz NPAXBWJQBHQOLP-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc2ccccc21 ZINC001258987635 1044919794 /nfs/dbraw/zinc/91/97/94/1044919794.db2.gz VFNGQYSQBMCUBZ-QVKFZJNVSA-N -1 3 387.501 3.986 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccccc1-c1ccncc1)C(=O)C2 ZINC001258987276 1044920053 /nfs/dbraw/zinc/92/00/53/1044920053.db2.gz DOOSCOHUVNCOOP-IIBYNOLFSA-N -1 3 384.501 3.886 20 0 GHADHM CC(C)(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259060775 1044942081 /nfs/dbraw/zinc/94/20/81/1044942081.db2.gz FZFHXTOUIZQXQT-UHFFFAOYSA-N -1 3 392.315 3.949 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259151972 1044980363 /nfs/dbraw/zinc/98/03/63/1044980363.db2.gz LGEDACMBCVQLSF-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM O=S(=O)([N-]c1cncc(Br)c1Cl)c1cccc2cnccc21 ZINC001259151742 1044980424 /nfs/dbraw/zinc/98/04/24/1044980424.db2.gz XRWNVSISIKMPJU-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc3cnccc32)c1Cl ZINC001259157510 1044983397 /nfs/dbraw/zinc/98/33/97/1044983397.db2.gz HDROZIZCCMRKLO-UHFFFAOYSA-N -1 3 390.848 3.900 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)cc1 ZINC001259171727 1044991336 /nfs/dbraw/zinc/99/13/36/1044991336.db2.gz FXDFVURVKFFESR-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)cc1 ZINC001259177367 1044993940 /nfs/dbraw/zinc/99/39/40/1044993940.db2.gz SVMCIPNOUKIGTC-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC001259231245 1045026695 /nfs/dbraw/zinc/02/66/95/1045026695.db2.gz GIMCEFNQPNMZML-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001295489611 1045032601 /nfs/dbraw/zinc/03/26/01/1045032601.db2.gz NMBIKKJSJSNFAI-GFCCVEGCSA-N -1 3 390.249 3.761 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1Br ZINC001259345354 1045092449 /nfs/dbraw/zinc/09/24/49/1045092449.db2.gz GCOSFHNUBJBCIJ-UHFFFAOYSA-N -1 3 398.278 3.638 20 0 GHADHM O=C(NCc1cc(OCC(F)F)ccn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295707746 1045112227 /nfs/dbraw/zinc/11/22/27/1045112227.db2.gz UMGXJUCODJDBAU-UHFFFAOYSA-N -1 3 398.409 3.952 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c(Br)n1 ZINC001259391200 1045117949 /nfs/dbraw/zinc/11/79/49/1045117949.db2.gz WTGLQMWDCOQDEI-UHFFFAOYSA-N -1 3 398.307 3.871 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CC2CCC2)c2ccccc2)c([O-])c1 ZINC001295774254 1045134656 /nfs/dbraw/zinc/13/46/56/1045134656.db2.gz HDQUJFCGYRZRPZ-HXUWFJFHSA-N -1 3 380.488 3.868 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c(Br)n1 ZINC001259439273 1045157500 /nfs/dbraw/zinc/15/75/00/1045157500.db2.gz XJIOUGPIRFHWGL-UHFFFAOYSA-N -1 3 393.209 3.555 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1F)c1cccc(OC(F)F)c1 ZINC001259445758 1045161240 /nfs/dbraw/zinc/16/12/40/1045161240.db2.gz SJNWDLXEOXERQS-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM CCCc1sc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)cc1Br ZINC001295913868 1045187069 /nfs/dbraw/zinc/18/70/69/1045187069.db2.gz UREWJHMPEFLTBC-UHFFFAOYSA-N -1 3 386.271 3.615 20 0 GHADHM CCCc1sc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)cc1Br ZINC001295913868 1045187075 /nfs/dbraw/zinc/18/70/75/1045187075.db2.gz UREWJHMPEFLTBC-UHFFFAOYSA-N -1 3 386.271 3.615 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC001259479007 1045188535 /nfs/dbraw/zinc/18/85/35/1045188535.db2.gz ICZLZHCXYQKDFD-UHFFFAOYSA-N -1 3 392.496 3.582 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(Cl)cc2C1)c1cc(F)c(F)c(F)c1 ZINC001259503721 1045208193 /nfs/dbraw/zinc/20/81/93/1045208193.db2.gz LUXOEGWUJOEOTC-LBPRGKRZSA-N -1 3 375.799 3.593 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC001259725144 1045275818 /nfs/dbraw/zinc/27/58/18/1045275818.db2.gz FHDCWFQSTZYGSI-UHFFFAOYSA-N -1 3 397.884 3.720 20 0 GHADHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001296189388 1045277894 /nfs/dbraw/zinc/27/78/94/1045277894.db2.gz WOZKUSPXZQRUPB-UHFFFAOYSA-N -1 3 399.513 3.684 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C)c1)c1cccc2ccccc21 ZINC001259751344 1045285712 /nfs/dbraw/zinc/28/57/12/1045285712.db2.gz JFHBUZYFDNNLDY-OAQYLSRUSA-N -1 3 397.496 3.872 20 0 GHADHM CCOC(=O)c1cnc2cccc([N-]S(=O)(=O)Cc3cccc(C)c3)c2c1 ZINC001259749830 1045285913 /nfs/dbraw/zinc/28/59/13/1045285913.db2.gz SEZXEGBGGQJSHO-UHFFFAOYSA-N -1 3 384.457 3.662 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ncccc1[O-])C1CCCCCC1 ZINC001296271357 1045292561 /nfs/dbraw/zinc/29/25/61/1045292561.db2.gz RPVXMASTEBEJAU-HNNXBMFYSA-N -1 3 377.485 3.837 20 0 GHADHM CC(C)Cc1c[nH]c(C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001296291365 1045296238 /nfs/dbraw/zinc/29/62/38/1045296238.db2.gz JXZQLXBJGCDSMZ-UHFFFAOYSA-N -1 3 384.217 3.776 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)CCc2cccc(F)c2)c1Cl ZINC001259774883 1045298210 /nfs/dbraw/zinc/29/82/10/1045298210.db2.gz TZOFBBVHKOOILA-UHFFFAOYSA-N -1 3 385.844 3.675 20 0 GHADHM CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[N-]S(=O)(=O)C1CCCC1 ZINC001259795135 1045307437 /nfs/dbraw/zinc/30/74/37/1045307437.db2.gz DCOIUDXMLRBZRB-UHFFFAOYSA-N -1 3 375.878 3.766 20 0 GHADHM COCCS(=O)(=O)[N-]c1cccc(Oc2ccc(C(F)(F)F)cc2)c1 ZINC001259972725 1045336611 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Cc1csc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC001260325206 1045462393 /nfs/dbraw/zinc/46/23/93/1045462393.db2.gz NJGBHRSZBPPFFQ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1ccc(Br)cc1F ZINC001260380960 1045483875 /nfs/dbraw/zinc/48/38/75/1045483875.db2.gz JEAIUYVEMPIQAW-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc2c(Br)cccc12 ZINC001462920984 1070661549 /nfs/dbraw/zinc/66/15/49/1070661549.db2.gz GFKBLPBOFQBSPM-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc2c(Br)cccc12 ZINC001462920984 1070661552 /nfs/dbraw/zinc/66/15/52/1070661552.db2.gz GFKBLPBOFQBSPM-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1F ZINC001260662738 1045598426 /nfs/dbraw/zinc/59/84/26/1045598426.db2.gz RSWSUALHEUVMPK-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1F ZINC001260717981 1045624316 /nfs/dbraw/zinc/62/43/16/1045624316.db2.gz PSSNHLSAVFWIMV-UHFFFAOYSA-N -1 3 393.436 3.517 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c(Cl)c1 ZINC001260771257 1045651044 /nfs/dbraw/zinc/65/10/44/1045651044.db2.gz GZPYCTLVDAFFAN-UHFFFAOYSA-N -1 3 397.880 3.943 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc2nsnc2cc1Cl ZINC001260772348 1045652412 /nfs/dbraw/zinc/65/24/12/1045652412.db2.gz WTTZEBMXNBBYPG-UHFFFAOYSA-N -1 3 383.882 3.771 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1c(Cl)nccc1C(C)=O ZINC001260779347 1045657085 /nfs/dbraw/zinc/65/70/85/1045657085.db2.gz ZRLSPZOWMQUOJC-UHFFFAOYSA-N -1 3 389.260 3.709 20 0 GHADHM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298307147 1045767792 /nfs/dbraw/zinc/76/77/92/1045767792.db2.gz WGZULAQLQVQUOO-UHFFFAOYSA-N -1 3 387.395 3.517 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC001261013414 1045834475 /nfs/dbraw/zinc/83/44/75/1045834475.db2.gz ZJDMYRFKGOTSJE-UHFFFAOYSA-N -1 3 395.349 3.731 20 0 GHADHM CC(C)CC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC001261014206 1045836062 /nfs/dbraw/zinc/83/60/62/1045836062.db2.gz SFTXXAWDAZELFF-UHFFFAOYSA-N -1 3 383.407 3.718 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001298512934 1045844278 /nfs/dbraw/zinc/84/42/78/1045844278.db2.gz FTONZGJKSXMIIT-LLVKDONJSA-N -1 3 380.213 3.792 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000488861639 1045869889 /nfs/dbraw/zinc/86/98/89/1045869889.db2.gz RMOSHFPYGSEACS-CYBMUJFWSA-N -1 3 375.343 3.647 20 0 GHADHM O=C(NC[C@H](O)Cc1cccc(F)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001298572300 1045877146 /nfs/dbraw/zinc/87/71/46/1045877146.db2.gz JJRVCCIJFHKMNC-QGZVFWFLSA-N -1 3 381.403 3.657 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC1CCCCC1 ZINC001261063088 1045883394 /nfs/dbraw/zinc/88/33/94/1045883394.db2.gz CBAIMGFDNQJDAL-JTQLQIEISA-N -1 3 379.931 3.825 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3conc3C)nc(=O)c2c1C ZINC001261276939 1045956742 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GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001263008413 1046496057 /nfs/dbraw/zinc/49/60/57/1046496057.db2.gz YHKLXQNWTRQXKN-QGZVFWFLSA-N -1 3 382.842 3.678 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)c2c1CCC2 ZINC001301895196 1046749393 /nfs/dbraw/zinc/74/93/93/1046749393.db2.gz OBJHEJOTODHJHO-UHFFFAOYSA-N -1 3 398.264 3.679 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)c2c1CCC2 ZINC001301895196 1046749407 /nfs/dbraw/zinc/74/94/07/1046749407.db2.gz OBJHEJOTODHJHO-UHFFFAOYSA-N -1 3 398.264 3.679 20 0 GHADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001463119878 1070816526 /nfs/dbraw/zinc/81/65/26/1070816526.db2.gz HIKPOYAAMCALOB-VIFPVBQESA-N -1 3 383.739 3.991 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cscn2)c2ccccc2Cl)cc1 ZINC001463141274 1070845103 /nfs/dbraw/zinc/84/51/03/1070845103.db2.gz VIZLTLGVEGCQGW-KRWDZBQOSA-N -1 3 394.905 3.873 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)c1ccc(F)cc1F ZINC001463141379 1070845169 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3 386.879 3.901 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)[n-]n1 ZINC001304105280 1047587722 /nfs/dbraw/zinc/58/77/22/1047587722.db2.gz ANAKDKQQRSJARX-UHFFFAOYSA-N -1 3 393.484 3.596 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)n[n-]1 ZINC001304105280 1047587727 /nfs/dbraw/zinc/58/77/27/1047587727.db2.gz ANAKDKQQRSJARX-UHFFFAOYSA-N -1 3 393.484 3.596 20 0 GHADHM COC(=O)c1cc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c([O-])c(OC)c1 ZINC001304504894 1047695248 /nfs/dbraw/zinc/69/52/48/1047695248.db2.gz IKYJJXHAOAAYGM-YSVLISHTSA-N -1 3 393.480 3.603 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)c3cccc([S-])c3)C[C@H](C1)O2 ZINC001279199336 1047741206 /nfs/dbraw/zinc/74/12/06/1047741206.db2.gz RWRZXNBGIXWNBX-QRQLOZEOSA-N -1 3 376.566 3.717 20 0 GHADHM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001279279379 1047755579 /nfs/dbraw/zinc/75/55/79/1047755579.db2.gz LETICURSKURVTO-OKILXGFUSA-N -1 3 383.439 3.635 20 0 GHADHM O=c1cccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cc(Cl)c([O-])c(Cl)c2)[nH]1 ZINC001279324380 1047768441 /nfs/dbraw/zinc/76/84/41/1047768441.db2.gz JGSJVJISQYMLNW-IRXDYDNUSA-N -1 3 394.302 3.648 20 0 GHADHM Cc1ncsc1CN1C[C@@H]2CCN(Cc3cc([O-])c(Cl)c(F)c3F)[C@@H]2C1 ZINC001279856143 1047970864 /nfs/dbraw/zinc/97/08/64/1047970864.db2.gz ZCRNCTVERFSAMB-WCQYABFASA-N -1 3 399.894 3.795 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(C(F)(F)F)c3)nc21 ZINC001463315509 1070983040 /nfs/dbraw/zinc/98/30/40/1070983040.db2.gz RQMFQBRFPMVRLQ-UHFFFAOYSA-N -1 3 391.349 3.940 20 0 GHADHM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C ZINC001305908326 1048299124 /nfs/dbraw/zinc/29/91/24/1048299124.db2.gz XFTRSZUPYHWAFY-IGMJJTELSA-N -1 3 379.472 3.679 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC001306502250 1048710696 /nfs/dbraw/zinc/71/06/96/1048710696.db2.gz ZUKICGRNSHBJQU-CQSZACIVSA-N -1 3 382.460 3.947 20 0 GHADHM CN(C)Cc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2Br)no1 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3.575 20 0 GHADHM CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C ZINC001475309809 1050321617 /nfs/dbraw/zinc/32/16/17/1050321617.db2.gz KDELKIXFIZDWBV-AWEZNQCLSA-N -1 3 391.480 3.780 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1cccs1 ZINC001309083235 1050333238 /nfs/dbraw/zinc/33/32/38/1050333238.db2.gz HUZKCRMMEJTGHQ-CYBMUJFWSA-N -1 3 395.472 3.956 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCC1)c1cnc(Cl)c(Cl)c1 ZINC001309131922 1050389340 /nfs/dbraw/zinc/38/93/40/1050389340.db2.gz JSKZOHVTGYZNFM-UHFFFAOYSA-N -1 3 389.279 3.928 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1cccc(Cl)c1F ZINC001309171244 1050427709 /nfs/dbraw/zinc/42/77/09/1050427709.db2.gz AEOBMRACYUZVAP-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001328255144 1050454496 /nfs/dbraw/zinc/45/44/96/1050454496.db2.gz DTZHQTJKBXPZBU-CQSZACIVSA-N -1 3 389.320 3.656 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CCC(C)C)C(C)(C)C)s1 ZINC001309194204 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CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1F ZINC001321141872 1056115627 /nfs/dbraw/zinc/11/56/27/1056115627.db2.gz GPZYJKWQCNJWQD-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM Cc1ccnc(-c2n[nH]c([C@@H](C)[N-]C(=O)C(F)(F)c3ccc(Cl)cc3)n2)c1 ZINC001321377775 1056239418 /nfs/dbraw/zinc/23/94/18/1056239418.db2.gz VULPKJNMIMOWCV-LLVKDONJSA-N -1 3 391.809 3.798 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(F)c(F)c3)c2)n1 ZINC001354080442 1056324956 /nfs/dbraw/zinc/32/49/56/1056324956.db2.gz XBSKTDHXLNXKBX-UHFFFAOYSA-N -1 3 385.370 3.707 20 0 GHADHM Cc1c(C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cnn1-c1ccccc1 ZINC001322133559 1056534423 /nfs/dbraw/zinc/53/44/23/1056534423.db2.gz PMXSSGCSHVTIIW-UHFFFAOYSA-N -1 3 396.418 3.774 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nnc(-c3cc4ccccc4o3)o2)ccc1F ZINC001322229473 1056583544 /nfs/dbraw/zinc/58/35/44/1056583544.db2.gz CILGLYMKGGYEBC-UHFFFAOYSA-N -1 3 399.403 3.730 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cccc(Br)c1C ZINC000848292761 1056977941 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GHADHM O=C(Nc1ccc(CNCc2cccc([O-])c2Br)cc1)C1CC1 ZINC001326787171 1057557961 /nfs/dbraw/zinc/55/79/61/1057557961.db2.gz PUCYBFHUXLODGX-UHFFFAOYSA-N -1 3 375.266 3.793 20 0 GHADHM C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC001475252220 1057561372 /nfs/dbraw/zinc/56/13/72/1057561372.db2.gz NEGLBMWEONAUJK-ZYXJOJAPSA-N -1 3 398.937 3.577 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)cc1 ZINC001356631934 1057581634 /nfs/dbraw/zinc/58/16/34/1057581634.db2.gz PYXHEGYAADHEQJ-QILLFSRXSA-N -1 3 395.931 3.618 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccco1 ZINC001440328386 1058495523 /nfs/dbraw/zinc/49/55/23/1058495523.db2.gz MRQBBOWTYSMUNZ-UHFFFAOYSA-N -1 3 398.806 3.811 20 0 GHADHM O=C(Nc1cccc(Cn2cccn2)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001441253891 1058740316 /nfs/dbraw/zinc/74/03/16/1058740316.db2.gz WLERTHHWGWLKJQ-UHFFFAOYSA-N -1 3 378.819 3.679 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(C)(COC)CC1 ZINC001339228775 1059025804 /nfs/dbraw/zinc/02/58/04/1059025804.db2.gz ZVXWWKBWKHPVMS-UHFFFAOYSA-N -1 3 392.931 3.695 20 0 GHADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1[O-] ZINC001443007020 1059042461 /nfs/dbraw/zinc/04/24/61/1059042461.db2.gz DIXBQUHQLWUNFL-UHFFFAOYSA-N -1 3 378.881 3.860 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443096948 1059063731 /nfs/dbraw/zinc/06/37/31/1059063731.db2.gz NHNDJKMYYHINGE-MRXNPFEDSA-N -1 3 382.243 3.921 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001339362835 1059142910 /nfs/dbraw/zinc/14/29/10/1059142910.db2.gz GVZVRZWRSAVQGB-QGZVFWFLSA-N -1 3 378.480 3.727 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001444249999 1059288714 /nfs/dbraw/zinc/28/87/14/1059288714.db2.gz UBHDWUSPTJZDES-WCQYABFASA-N -1 3 386.373 3.964 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001340021832 1059625695 /nfs/dbraw/zinc/62/56/95/1059625695.db2.gz TXAJLCLBTVKSAT-INIZCTEOSA-N -1 3 384.871 3.764 20 0 GHADHM CCCOc1nc(C)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001445910598 1059652776 /nfs/dbraw/zinc/65/27/76/1059652776.db2.gz JONCKFDHHUKHFN-UHFFFAOYSA-N -1 3 379.254 3.577 20 0 GHADHM COC(=O)[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(Cl)c(F)c1 ZINC001446298496 1059749998 /nfs/dbraw/zinc/74/99/98/1059749998.db2.gz WWUCTKZKUCJYIG-QGZVFWFLSA-N -1 3 379.815 3.952 20 0 GHADHM O=C([N-][C@@H]1CC(=O)c2ccccc21)C(F)(F)c1ccc(Br)cc1 ZINC001446921604 1059904960 /nfs/dbraw/zinc/90/49/60/1059904960.db2.gz GCJMZJFPXCIJLY-CQSZACIVSA-N -1 3 380.188 3.985 20 0 GHADHM Cc1cc2c(c(F)c1)C[C@@H](C(=O)Nc1ncccc1[O-])N2C(=O)OC(C)(C)C ZINC001447607125 1059986909 /nfs/dbraw/zinc/98/69/09/1059986909.db2.gz QRWFPIIVVQFYOS-HNNXBMFYSA-N -1 3 387.411 3.540 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cc(F)cc(Br)c1 ZINC001447903568 1060058615 /nfs/dbraw/zinc/05/86/15/1060058615.db2.gz LPVILKXJDRDIGL-GFCCVEGCSA-N -1 3 380.204 3.706 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H]1Oc1ccccc1 ZINC001448162970 1060124117 /nfs/dbraw/zinc/12/41/17/1060124117.db2.gz NXRORDJBOUINBB-YVWKXTFCSA-N -1 3 383.469 3.962 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)s1 ZINC001448585764 1060225220 /nfs/dbraw/zinc/22/52/20/1060225220.db2.gz SZYKQMFENSCXJY-QWHCGFSZSA-N -1 3 377.441 3.915 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC001449008045 1060315192 /nfs/dbraw/zinc/31/51/92/1060315192.db2.gz ZVRHGXUYLBTDOK-UHFFFAOYSA-N -1 3 379.800 3.964 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cc(-c3ccccc3F)on2)c1O ZINC001449225397 1060357823 /nfs/dbraw/zinc/35/78/23/1060357823.db2.gz WOCHLVKALSGLFV-UHFFFAOYSA-N -1 3 390.754 3.879 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001341061706 1060365068 /nfs/dbraw/zinc/36/50/68/1060365068.db2.gz VRNKVACHDRZBID-UHFFFAOYSA-N -1 3 392.496 3.815 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]CCOc1cncc(Cl)c1 ZINC001449382091 1060394036 /nfs/dbraw/zinc/39/40/36/1060394036.db2.gz HAGSNHDSIZDBRD-UHFFFAOYSA-N -1 3 391.201 3.684 20 0 GHADHM COC(=O)[C@@H](C)c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC001451290418 1060758138 /nfs/dbraw/zinc/75/81/38/1060758138.db2.gz CNPOKPPJAQAMMZ-LBPRGKRZSA-N -1 3 382.391 3.504 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)c([O-])c1 ZINC001451856113 1060846992 /nfs/dbraw/zinc/84/69/92/1060846992.db2.gz KOYGIFRFWJKMKJ-OAGGEKHMSA-N -1 3 376.497 3.712 20 0 GHADHM CCc1ccncc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001452860068 1061033801 /nfs/dbraw/zinc/03/38/01/1061033801.db2.gz GEWGBMODBWNRTE-HXUWFJFHSA-N -1 3 389.455 3.850 20 0 GHADHM C[C@H]1c2ccccc2C[C@H]1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001453033560 1061068468 /nfs/dbraw/zinc/06/84/68/1061068468.db2.gz RUHUXJGPQPMAJQ-BBATYDOGSA-N -1 3 397.272 3.749 20 0 GHADHM Cc1cccc(CO[N-]C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001454237814 1061662120 /nfs/dbraw/zinc/66/21/20/1061662120.db2.gz BQHXUSDPJKWNHO-HNNXBMFYSA-N -1 3 391.512 3.611 20 0 GHADHM Cc1cccc(CO[N-]C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)n1 ZINC001454243425 1061663578 /nfs/dbraw/zinc/66/35/78/1061663578.db2.gz XFMMGVYHUXDXSM-MSOLQXFVSA-N -1 3 391.512 3.802 20 0 GHADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454415298 1061774359 /nfs/dbraw/zinc/77/43/59/1061774359.db2.gz XMNXPGYDOOHROL-GFCCVEGCSA-N -1 3 378.274 3.784 20 0 GHADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454415298 1061774380 /nfs/dbraw/zinc/77/43/80/1061774380.db2.gz XMNXPGYDOOHROL-GFCCVEGCSA-N -1 3 378.274 3.784 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccc3c(Br)cccc23)[n-]1 ZINC001454459451 1061790305 /nfs/dbraw/zinc/79/03/05/1061790305.db2.gz GMPQFKSDRKLEOE-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccc3c(Br)cccc23)c[n-]1 ZINC001454459451 1061790329 /nfs/dbraw/zinc/79/03/29/1061790329.db2.gz GMPQFKSDRKLEOE-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM O=C(CNC(=O)c1cc([O-])cc(Br)c1)c1ccc(Cl)cc1F ZINC001454545766 1061830597 /nfs/dbraw/zinc/83/05/97/1061830597.db2.gz YIPCZRJUINAABI-UHFFFAOYSA-N -1 3 386.604 3.560 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2[C@H]1CC ZINC001346828729 1061925338 /nfs/dbraw/zinc/92/53/38/1061925338.db2.gz LDCDVRVZKHSSSK-QGZVFWFLSA-N -1 3 383.452 3.537 20 0 GHADHM CC1(C)COc2cc(NC(=O)CCCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC001455016407 1061979546 /nfs/dbraw/zinc/97/95/46/1061979546.db2.gz CLEGGCWFUVAAMO-UHFFFAOYSA-N -1 3 386.423 3.850 20 0 GHADHM C[C@@H](CO[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001545858794 1062047171 /nfs/dbraw/zinc/04/71/71/1062047171.db2.gz XJJFIAITNUOJHN-ASUPZPJHSA-N -1 3 394.434 3.562 20 0 GHADHM CCc1cc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1Br ZINC001455388231 1062123230 /nfs/dbraw/zinc/12/32/30/1062123230.db2.gz MDRNESFHOWRDMN-UHFFFAOYSA-N -1 3 388.265 3.541 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ncc(Cl)cc1Cl ZINC001435451399 1062620689 /nfs/dbraw/zinc/62/06/89/1062620689.db2.gz QEWQCWLGELIAHE-UHFFFAOYSA-N -1 3 382.638 3.934 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385667 1062652828 /nfs/dbraw/zinc/65/28/28/1062652828.db2.gz PRVCAYLDRXILOX-JOYOIKCWSA-N -1 3 390.793 3.758 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1COc1ccc(F)cc1 ZINC001456447258 1062689073 /nfs/dbraw/zinc/68/90/73/1062689073.db2.gz XJXIFVJJGHYYSM-HNNXBMFYSA-N -1 3 394.240 3.977 20 0 GHADHM CCCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCC1 ZINC001435536146 1062716157 /nfs/dbraw/zinc/71/61/57/1062716157.db2.gz CUCUACOAPLWUKY-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC001347897965 1062763990 /nfs/dbraw/zinc/76/39/90/1062763990.db2.gz RXZUMXAHLCBPPZ-FMIVXFBMSA-N -1 3 379.762 3.675 20 0 GHADHM Cc1noc(C2CCN(c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)n1 ZINC001347930825 1062788765 /nfs/dbraw/zinc/78/87/65/1062788765.db2.gz BBCPNFSEUOOSNF-UHFFFAOYSA-N -1 3 398.488 3.563 20 0 GHADHM COC(=O)c1cc(NC(=O)CCSc2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001456744051 1062836420 /nfs/dbraw/zinc/83/64/20/1062836420.db2.gz HUZAWOOEHQVONV-UHFFFAOYSA-N -1 3 395.864 3.962 20 0 GHADHM COC(=O)c1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c([O-])c(OC)c1 ZINC001456750744 1062841747 /nfs/dbraw/zinc/84/17/47/1062841747.db2.gz ZIHTXICMBPORNT-UHFFFAOYSA-N -1 3 394.427 3.754 20 0 GHADHM Cc1occ(C(F)(F)F)c1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456796479 1062860614 /nfs/dbraw/zinc/86/06/14/1062860614.db2.gz GUVAINBUFPYEIH-UHFFFAOYSA-N -1 3 393.321 3.939 20 0 GHADHM Cc1occ(C(F)(F)F)c1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456796479 1062860640 /nfs/dbraw/zinc/86/06/40/1062860640.db2.gz GUVAINBUFPYEIH-UHFFFAOYSA-N -1 3 393.321 3.939 20 0 GHADHM COc1cccc2c(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)coc21 ZINC001456799333 1062863206 /nfs/dbraw/zinc/86/32/06/1062863206.db2.gz OZHINWWLSBYPOD-UHFFFAOYSA-N -1 3 391.383 3.774 20 0 GHADHM COc1cccc2c(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)coc21 ZINC001456799333 1062863226 /nfs/dbraw/zinc/86/32/26/1062863226.db2.gz OZHINWWLSBYPOD-UHFFFAOYSA-N -1 3 391.383 3.774 20 0 GHADHM CC(C)c1ccccc1OCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456799959 1062867124 /nfs/dbraw/zinc/86/71/24/1062867124.db2.gz LEDJOYGMIDOVFO-UHFFFAOYSA-N -1 3 393.443 3.908 20 0 GHADHM CC(C)c1ccccc1OCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456799959 1062867153 /nfs/dbraw/zinc/86/71/53/1062867153.db2.gz LEDJOYGMIDOVFO-UHFFFAOYSA-N -1 3 393.443 3.908 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3[nH]c(=O)c4ccccc4c3C)nc21 ZINC001456994602 1062942486 /nfs/dbraw/zinc/94/24/86/1062942486.db2.gz QMRMPVAFXVGIKP-UHFFFAOYSA-N -1 3 390.399 3.554 20 0 GHADHM Cc1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)sc1-c1ccccc1 ZINC001348175186 1062945669 /nfs/dbraw/zinc/94/56/69/1062945669.db2.gz DFWCYSHHVXQBIZ-INIZCTEOSA-N -1 3 394.500 3.536 20 0 GHADHM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457164805 1062995362 /nfs/dbraw/zinc/99/53/62/1062995362.db2.gz HUUBUTJOVQVJGQ-CZUORRHYSA-N -1 3 376.526 3.921 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001457515998 1063219845 /nfs/dbraw/zinc/21/98/45/1063219845.db2.gz JCOIVTZQVJENKL-UHFFFAOYSA-N -1 3 395.419 3.615 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)Nc3cc(Br)ccc3[O-])c(O)c2c1 ZINC001457684257 1063310989 /nfs/dbraw/zinc/31/09/89/1063310989.db2.gz SWPGGHKFBWYNKT-UHFFFAOYSA-N -1 3 387.233 3.865 20 0 GHADHM CCCCn1ncc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1C(C)C ZINC001457782260 1063364083 /nfs/dbraw/zinc/36/40/83/1063364083.db2.gz FTXIXGKAEKQFMB-UHFFFAOYSA-N -1 3 382.464 3.909 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(Cl)ccc3OC(C)C)c2c1=O ZINC001457887214 1063419118 /nfs/dbraw/zinc/41/91/18/1063419118.db2.gz MISJATKLBJBWFM-UHFFFAOYSA-N -1 3 388.855 3.746 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1cc(Br)cnc1Br ZINC001436553068 1063525794 /nfs/dbraw/zinc/52/57/94/1063525794.db2.gz DADCPXCSIKXIIG-UHFFFAOYSA-N -1 3 392.985 3.532 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001436649781 1063594324 /nfs/dbraw/zinc/59/43/24/1063594324.db2.gz QVCOZYDOUNEJHN-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001436649781 1063594335 /nfs/dbraw/zinc/59/43/35/1063594335.db2.gz QVCOZYDOUNEJHN-VIFPVBQESA-N -1 3 379.317 3.767 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC001436651335 1063595440 /nfs/dbraw/zinc/59/54/40/1063595440.db2.gz LQCBGQJCPSYITB-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC001436651335 1063595456 /nfs/dbraw/zinc/59/54/56/1063595456.db2.gz LQCBGQJCPSYITB-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CCc1noc(C)c1C(=O)[N-]c1c(F)cc(I)cc1F ZINC001436737522 1063633740 /nfs/dbraw/zinc/63/37/40/1063633740.db2.gz CBCLZMZQAHGJAV-UHFFFAOYSA-N -1 3 392.143 3.681 20 0 GHADHM CCn1c2ccc(F)cc2nc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001546104325 1063950458 /nfs/dbraw/zinc/95/04/58/1063950458.db2.gz ROHMAMLMGHRDHG-UHFFFAOYSA-N -1 3 378.201 3.916 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)c1ncccn1 ZINC001458907419 1063958804 /nfs/dbraw/zinc/95/88/04/1063958804.db2.gz HGHOYYMVHRHMTF-SNVBAGLBSA-N -1 3 384.852 3.818 20 0 GHADHM O=C([N-]c1nnc(-c2c(Cl)cccc2Cl)s1)c1cc2n(n1)CCCO2 ZINC001438234422 1064013989 /nfs/dbraw/zinc/01/39/89/1064013989.db2.gz YJBUROARDNLDKK-UHFFFAOYSA-N -1 3 396.259 3.743 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001350330266 1064057766 /nfs/dbraw/zinc/05/77/66/1064057766.db2.gz YKNHHJYFNKMBPP-GFCCVEGCSA-N -1 3 388.821 3.738 20 0 GHADHM CC(C)[C@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)c1ccccc1 ZINC001438525162 1064063820 /nfs/dbraw/zinc/06/38/20/1064063820.db2.gz AQOMJAQUPUKREL-HNNXBMFYSA-N -1 3 395.550 3.598 20 0 GHADHM C[C@H](CN(C)CC(=O)[N-]OCc1ccccc1)Oc1ccc(Cl)c(Cl)c1 ZINC001459953207 1064299756 /nfs/dbraw/zinc/29/97/56/1064299756.db2.gz STEBMUYQASPKBQ-CQSZACIVSA-N -1 3 397.302 3.941 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC001463385950 1064303674 /nfs/dbraw/zinc/30/36/74/1064303674.db2.gz NLDIELRXMOGJJD-NSHDSACASA-N -1 3 392.830 3.972 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1cc(F)c(F)c(F)c1 ZINC001463461689 1064372861 /nfs/dbraw/zinc/37/28/61/1064372861.db2.gz UFIDDMNKXJXKNW-UHFFFAOYSA-N -1 3 377.334 3.740 20 0 GHADHM O=S(=O)(Oc1ccc(C2CCC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001463466096 1064376731 /nfs/dbraw/zinc/37/67/31/1064376731.db2.gz PVXBHMCJRIXALS-UHFFFAOYSA-N -1 3 390.852 3.555 20 0 GHADHM O=S(=O)(Oc1ccc(C2CCC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001463466096 1064376736 /nfs/dbraw/zinc/37/67/36/1064376736.db2.gz PVXBHMCJRIXALS-UHFFFAOYSA-N -1 3 390.852 3.555 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c1Cl ZINC001463507906 1064416804 /nfs/dbraw/zinc/41/68/04/1064416804.db2.gz XTIXAWVPBOBXCH-NSHDSACASA-N -1 3 394.226 3.992 20 0 GHADHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463580287 1064477361 /nfs/dbraw/zinc/47/73/61/1064477361.db2.gz QYYOIAPGTHZUTF-CHWSQXEVSA-N -1 3 388.942 3.822 20 0 GHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)[C@@H]1C ZINC001463627547 1064511278 /nfs/dbraw/zinc/51/12/78/1064511278.db2.gz QDAFTLYSSCJCJB-IJLUTSLNSA-N -1 3 378.307 3.939 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(OC)c3)no2)nc1C ZINC001351699190 1064569226 /nfs/dbraw/zinc/56/92/26/1064569226.db2.gz AACSQJWVJHCDEN-UHFFFAOYSA-N -1 3 387.417 3.544 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)c(Cl)c2)c(F)c1F ZINC001463795119 1064624862 /nfs/dbraw/zinc/62/48/62/1064624862.db2.gz YBIJCHHNGJGLAL-UHFFFAOYSA-N -1 3 396.242 3.937 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001463897425 1064703474 /nfs/dbraw/zinc/70/34/74/1064703474.db2.gz BCPIMTNDYLYXMG-DOMZBBRYSA-N -1 3 399.921 3.803 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC001463944116 1064732280 /nfs/dbraw/zinc/73/22/80/1064732280.db2.gz JONPVEHPMJEMOM-QMMMGPOBSA-N -1 3 393.303 3.647 20 0 GHADHM CC(=O)CCCCCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001463964865 1064742901 /nfs/dbraw/zinc/74/29/01/1064742901.db2.gz UOMPSNLQGDKYEV-UHFFFAOYSA-N -1 3 394.306 3.714 20 0 GHADHM CCCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)CC(C)C ZINC001464020158 1064773270 /nfs/dbraw/zinc/77/32/70/1064773270.db2.gz TUOVXUOZDIBRGH-AWEZNQCLSA-N -1 3 391.480 3.557 20 0 GHADHM C[C@H](CN(C)C(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001464143827 1064855280 /nfs/dbraw/zinc/85/52/80/1064855280.db2.gz KVBGHMAGZCFTPP-SNVBAGLBSA-N -1 3 397.324 3.527 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC001464329409 1064957728 /nfs/dbraw/zinc/95/77/28/1064957728.db2.gz UXGCVFLWMPXXAI-WBVHZDCISA-N -1 3 387.835 3.817 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C(F)(F)F)c1ccc2ccccc2c1Br ZINC001464341196 1064962633 /nfs/dbraw/zinc/96/26/33/1064962633.db2.gz LMSVDTORFGUOMK-GHMZBOCLSA-N -1 3 394.212 3.831 20 0 GHADHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464362450 1064971558 /nfs/dbraw/zinc/97/15/58/1064971558.db2.gz OVQHGQXAAMTRPS-UHFFFAOYSA-N -1 3 395.846 3.733 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2ccc(Cl)cc2)CC1 ZINC001352305225 1064972267 /nfs/dbraw/zinc/97/22/67/1064972267.db2.gz AONBHGJRGVXFBR-UHFFFAOYSA-N -1 3 398.898 3.806 20 0 GHADHM COC(=O)c1ccc(OC(C)C)c([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)c1 ZINC001464545180 1065072997 /nfs/dbraw/zinc/07/29/97/1065072997.db2.gz RMLMJTYFOQOERA-UHFFFAOYSA-N -1 3 399.378 3.702 20 0 GHADHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC001464570387 1065088372 /nfs/dbraw/zinc/08/83/72/1065088372.db2.gz YTIFVORKAYMPKO-IBGZPJMESA-N -1 3 397.443 3.522 20 0 GHADHM COC(=O)c1cccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC001465877251 1065907112 /nfs/dbraw/zinc/90/71/12/1065907112.db2.gz BFCIXOFIADMMJN-UHFFFAOYSA-N -1 3 375.424 3.700 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3c(F)cc(Br)cc3C2)cc1[O-] ZINC001465976132 1065943370 /nfs/dbraw/zinc/94/33/70/1065943370.db2.gz ISKUHXIVWVIWBI-UHFFFAOYSA-N -1 3 392.224 3.695 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000847721731 1065979097 /nfs/dbraw/zinc/97/90/97/1065979097.db2.gz ZZGVDOIKZRQZFB-ZDUSSCGKSA-N -1 3 377.366 3.708 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)[n-]n1 ZINC001466590138 1066201322 /nfs/dbraw/zinc/20/13/22/1066201322.db2.gz KVTHVJCUYIFTBA-UHFFFAOYSA-N -1 3 395.202 3.801 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n[n-]1 ZINC001466590138 1066201332 /nfs/dbraw/zinc/20/13/32/1066201332.db2.gz KVTHVJCUYIFTBA-UHFFFAOYSA-N -1 3 395.202 3.801 20 0 GHADHM CC[C@H](C(=O)Nc1cc(Br)ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC001466633473 1066224475 /nfs/dbraw/zinc/22/44/75/1066224475.db2.gz ZCKTYWYYIPFVOK-GFCCVEGCSA-N -1 3 387.274 3.739 20 0 GHADHM Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ncccc1[O-] ZINC001466805532 1066325567 /nfs/dbraw/zinc/32/55/67/1066325567.db2.gz MBNJRYSKBOPULD-UHFFFAOYSA-N -1 3 389.337 3.900 20 0 GHADHM CCCCCCN(C)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001466935260 1066401249 /nfs/dbraw/zinc/40/12/49/1066401249.db2.gz IYFHIUMLVALAJL-UHFFFAOYSA-N -1 3 389.540 3.905 20 0 GHADHM COC(=O)C1([N-]C(=O)C(F)(F)c2ccccc2Br)CCCCC1 ZINC001357396044 1067080728 /nfs/dbraw/zinc/08/07/28/1067080728.db2.gz ZVKLYDZEGCQHCC-UHFFFAOYSA-N -1 3 390.224 3.533 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001473292256 1067195533 /nfs/dbraw/zinc/19/55/33/1067195533.db2.gz OCXJVFRXMSYKHB-LJQANCHMSA-N -1 3 395.455 3.933 20 0 GHADHM CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001467285155 1067198053 /nfs/dbraw/zinc/19/80/53/1067198053.db2.gz PUJKZPQDTPUWGH-INIZCTEOSA-N -1 3 381.451 3.850 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1[O-] ZINC001467523320 1067341886 /nfs/dbraw/zinc/34/18/86/1067341886.db2.gz KUANBXMGSNEVLI-UHFFFAOYSA-N -1 3 375.837 3.963 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001467702979 1067429060 /nfs/dbraw/zinc/42/90/60/1067429060.db2.gz TUAPIUVTRUSTQM-STQMWFEESA-N -1 3 380.510 3.632 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(C2CCCC2)cc1 ZINC001467873875 1067509920 /nfs/dbraw/zinc/50/99/20/1067509920.db2.gz NXIDIJJMWOXAOL-CABCVRRESA-N -1 3 381.476 3.838 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)c1[O-] ZINC001468601859 1067787000 /nfs/dbraw/zinc/78/70/00/1067787000.db2.gz OGXIAKSVKPVPES-UHFFFAOYSA-N -1 3 393.418 3.969 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1nnc2ccccc2c1[O-] ZINC001469496617 1068192025 /nfs/dbraw/zinc/19/20/25/1068192025.db2.gz GEEFAIHBNJILGT-NRFANRHFSA-N -1 3 391.471 3.749 20 0 GHADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001546175344 1068252273 /nfs/dbraw/zinc/25/22/73/1068252273.db2.gz NCHUTAQQOJCORY-GOSISDBHSA-N -1 3 383.444 3.990 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC=C(Cl)C1 ZINC001469711925 1068330728 /nfs/dbraw/zinc/33/07/28/1068330728.db2.gz VEECCZITCOOXFX-LJQANCHMSA-N -1 3 384.863 3.608 20 0 GHADHM CC(C)(C)OC(=O)N1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001469743636 1068352054 /nfs/dbraw/zinc/35/20/54/1068352054.db2.gz VLTNBHFZTWLQOP-UHFFFAOYSA-N -1 3 391.855 3.570 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 ZINC001470098720 1068571418 /nfs/dbraw/zinc/57/14/18/1068571418.db2.gz NIHQDGOAWTWDQC-GOSISDBHSA-N -1 3 394.471 3.727 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCC1CCC1 ZINC001470219402 1068630841 /nfs/dbraw/zinc/63/08/41/1068630841.db2.gz WYMRGMBRSWWPPV-NRFANRHFSA-N -1 3 380.488 3.950 20 0 GHADHM O=C([N-][C@H](c1ccccc1)C(F)F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001460279954 1068904557 /nfs/dbraw/zinc/90/45/57/1068904557.db2.gz CYISATPKXFQPMO-OAHLLOKOSA-N -1 3 378.329 3.617 20 0 GHADHM Cc1cnc(F)c(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC001460924400 1069276858 /nfs/dbraw/zinc/27/68/58/1069276858.db2.gz UJXIWZMPISXNNK-UHFFFAOYSA-N -1 3 378.816 3.865 20 0 GHADHM Cc1ccc(SCc2cccc(C(=O)NCCCc3c[n-][nH]c3=O)c2)c(C)c1 ZINC001470577175 1072632810 /nfs/dbraw/zinc/63/28/10/1072632810.db2.gz BURHBBOJHUYFFS-IBGZPJMESA-N -1 3 395.528 3.838 20 0 GHADHM Cc1cccc(CN2CCO[C@H](CNC(=O)c3cc4sccc4c([O-])c3)C2)c1 ZINC001471230383 1072975963 /nfs/dbraw/zinc/97/59/63/1072975963.db2.gz PDYQGXXEHASZCJ-GOSISDBHSA-N -1 3 396.512 3.546 20 0 GHADHM O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1c[n-]c2c(Cl)cccc2c1=O ZINC001471749840 1073206660 /nfs/dbraw/zinc/20/66/60/1073206660.db2.gz ZRTBZVAOFFXXDV-GDBMZVCRSA-N -1 3 388.801 3.960 20 0 GHADHM CC(C)(/C=C\Cl)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001471939071 1073271464 /nfs/dbraw/zinc/27/14/64/1073271464.db2.gz ISBAKQFQFBKUGM-KHPPLWFESA-N -1 3 396.871 3.887 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cs1 ZINC001472109191 1073336522 /nfs/dbraw/zinc/33/65/22/1073336522.db2.gz JDMJYPOMILJYBS-SECBINFHSA-N -1 3 381.383 3.746 20 0 GHADHM Cc1ccc([S@@](C)(=O)=NC(=O)c2c[n-]cc3nc(C(F)(F)F)nc2-3)cc1 ZINC001472145296 1073345773 /nfs/dbraw/zinc/34/57/73/1073345773.db2.gz DBVNKOPMTNVKEV-AREMUKBSSA-N -1 3 382.367 3.582 20 0 GHADHM COC(=O)c1cc(NC(=O)/C=C\c2ccccc2C(F)(F)F)c([O-])c(OC)c1 ZINC001472229234 1073376011 /nfs/dbraw/zinc/37/60/11/1073376011.db2.gz CSLWITCTLJZJGL-FPLPWBNLSA-N -1 3 395.333 3.858 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC001472245593 1073382659 /nfs/dbraw/zinc/38/26/59/1073382659.db2.gz QKGOSYCNKMCVTQ-OIISXLGYSA-N -1 3 392.471 3.511 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C=O)sc3Cl)nc21 ZINC001472301097 1073406890 /nfs/dbraw/zinc/40/68/90/1073406890.db2.gz YXRYQZILWDWRNY-UHFFFAOYSA-N -1 3 377.809 3.519 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C[C@H]3OC(=O)c4ccccc43)n[n-]2)cc1 ZINC001472355933 1073441861 /nfs/dbraw/zinc/44/18/61/1073441861.db2.gz YDBGIBIKQWPZDU-MRXNPFEDSA-N -1 3 394.456 3.646 20 0 GHADHM COCCOc1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1Cl ZINC001472494740 1073512342 /nfs/dbraw/zinc/51/23/42/1073512342.db2.gz GAAJCHONPARMAU-UHFFFAOYSA-N -1 3 386.835 3.767 20 0 GHADHM C[Si](C)(C)c1ccc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC001472558344 1073550687 /nfs/dbraw/zinc/55/06/87/1073550687.db2.gz NDFFGVRIKJOILT-UHFFFAOYSA-N -1 3 390.519 3.944 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(Cl)c4ccccc4n3)c2c1=O ZINC001472585157 1073561025 /nfs/dbraw/zinc/56/10/25/1073561025.db2.gz KMCJOBDIFGQRIG-UHFFFAOYSA-N -1 3 381.823 3.507 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)[C@@H](C)Oc3cccc(C(C)C)c3)c2c1=O ZINC001472585466 1073562489 /nfs/dbraw/zinc/56/24/89/1073562489.db2.gz QBKUZVPJLYOTCB-CQSZACIVSA-N -1 3 382.464 3.582 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001472599251 1073568815 /nfs/dbraw/zinc/56/88/15/1073568815.db2.gz XMUHVGWPHJSZRS-UHFFFAOYSA-N -1 3 394.512 3.946 20 0 GHADHM Cn1ccnc1[C@H]([N-]C(=O)c1cc(C(F)(F)F)cc(Cl)n1)C(F)(F)F ZINC001472633951 1073587930 /nfs/dbraw/zinc/58/79/30/1073587930.db2.gz JQJQHRQZUYEWBD-VIFPVBQESA-N -1 3 386.683 3.521 20 0 GHADHM Cc1ccc(-n2nnnc2SCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1C ZINC001472955929 1073734807 /nfs/dbraw/zinc/73/48/07/1073734807.db2.gz KWXHJUSAOYUBRZ-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)n1 ZINC001473520262 1073999408 /nfs/dbraw/zinc/99/94/08/1073999408.db2.gz ULNWXERUEPVMGR-OKILXGFUSA-N -1 3 394.441 3.863 20 0 GHADHM COc1cc2c(cc1OC)[C@H](C)N(Cc1cc(=O)oc3cc([O-])ccc13)CC2 ZINC001473770734 1074133789 /nfs/dbraw/zinc/13/37/89/1074133789.db2.gz HBOBLHMQMKIUKI-ZDUSSCGKSA-N -1 3 381.428 3.635 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 ZINC001546199594 1074232665 /nfs/dbraw/zinc/23/26/65/1074232665.db2.gz WWMAJPXXDJYMDN-UHFFFAOYSA-N -1 3 399.454 3.849 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)cc1)c1cc(Cl)ccc1Br ZINC001474779304 1074558553 /nfs/dbraw/zinc/55/85/53/1074558553.db2.gz YZMPKQPVCGTWES-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM COC(=O)C1([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCCCC1 ZINC001474813574 1074575708 /nfs/dbraw/zinc/57/57/08/1074575708.db2.gz BBGUYVDVUCHIAH-UHFFFAOYSA-N -1 3 394.320 3.679 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(C)C)cc2)s1 ZINC001475103117 1074738818 /nfs/dbraw/zinc/73/88/18/1074738818.db2.gz HKTCTSFEINVMIG-CYBMUJFWSA-N -1 3 381.519 3.568 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)c1Cl ZINC001475235452 1074798124 /nfs/dbraw/zinc/79/81/24/1074798124.db2.gz FAEDZWXDPAJQBV-ZDUSSCGKSA-N -1 3 386.300 3.974 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1cccc(OC(F)(F)F)c1F ZINC001475239055 1074800352 /nfs/dbraw/zinc/80/03/52/1074800352.db2.gz HEEWCVSZLZAANW-RYUDHWBXSA-N -1 3 393.333 3.698 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2nc3ccccc3o2)c(-c2ccccc2)s1 ZINC001475343517 1074840941 /nfs/dbraw/zinc/84/09/41/1074840941.db2.gz ZLDASUIQJAWKGZ-UHFFFAOYSA-N -1 3 385.470 3.738 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1(CO)CCCC1 ZINC001475369194 1074851913 /nfs/dbraw/zinc/85/19/13/1074851913.db2.gz KKKIURVZIGTQKW-GOSISDBHSA-N -1 3 394.562 3.666 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC2CCC1CC2)c1cnc(Cl)c(Br)c1 ZINC001475425163 1074870219 /nfs/dbraw/zinc/87/02/19/1074870219.db2.gz NFCBUFDDDGMPJA-VQXHTEKXSA-N -1 3 393.734 3.602 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2c3ccccc3CN2C)c1Cl ZINC001475595759 1074923292 /nfs/dbraw/zinc/92/32/92/1074923292.db2.gz RJTHIWCOIBYHGR-OAHLLOKOSA-N -1 3 385.316 3.767 20 0 GHADHM O=S(=O)([N-][C@H]1CCSC2(CCC2)C1)c1cccc(Br)c1F ZINC001475750637 1075014748 /nfs/dbraw/zinc/01/47/48/1075014748.db2.gz LVTHHLZCTHCPFI-JTQLQIEISA-N -1 3 394.331 3.685 20 0 GHADHM CC1(C)CC2(CC([N-]S(=O)(=O)c3c4ncsc4ccc3Cl)C2)CO1 ZINC001475760383 1075016238 /nfs/dbraw/zinc/01/62/38/1075016238.db2.gz MCQDYIUDOHXVHM-UHFFFAOYSA-N -1 3 386.926 3.576 20 0 GHADHM O=S(=O)(CCC1CCCC1)[N-]C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001475809745 1075025701 /nfs/dbraw/zinc/02/57/01/1075025701.db2.gz BKBJAJKRTBGXQE-HNNXBMFYSA-N -1 3 399.862 3.590 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006436353 212069780 /nfs/dbraw/zinc/06/97/80/212069780.db2.gz OKJTVNHTAQGDGH-KBXCAEBGSA-N -1 3 390.480 3.935 20 0 GHADHM CC[C@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382618 598823495 /nfs/dbraw/zinc/82/34/95/598823495.db2.gz MWOCOJGUNHVAAA-DIFFPNOSSA-N -1 3 388.374 3.607 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000737023987 598829245 /nfs/dbraw/zinc/82/92/45/598829245.db2.gz IMMVITROIPRLBZ-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000737023987 598829247 /nfs/dbraw/zinc/82/92/47/598829247.db2.gz IMMVITROIPRLBZ-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000736637206 598830242 /nfs/dbraw/zinc/83/02/42/598830242.db2.gz SZWFCRCDPLDYIK-KRWDZBQOSA-N -1 3 379.464 3.719 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000736637206 598830244 /nfs/dbraw/zinc/83/02/44/598830244.db2.gz SZWFCRCDPLDYIK-KRWDZBQOSA-N -1 3 379.464 3.719 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)CC2CCCCC2)c1C ZINC000737502623 598839734 /nfs/dbraw/zinc/83/97/34/598839734.db2.gz GEVUZDOTEPJEER-UHFFFAOYSA-N -1 3 379.468 3.578 20 0 GHADHM CC[C@H](OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000736383866 598843588 /nfs/dbraw/zinc/84/35/88/598843588.db2.gz UXWAUSJFRNAWCF-KRWDZBQOSA-N -1 3 396.447 3.729 20 0 GHADHM CC[C@H](OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000736383866 598843589 /nfs/dbraw/zinc/84/35/89/598843589.db2.gz UXWAUSJFRNAWCF-KRWDZBQOSA-N -1 3 396.447 3.729 20 0 GHADHM O=C(NCCCOc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738076032 598849482 /nfs/dbraw/zinc/84/94/82/598849482.db2.gz PEBIPEMCJVACGX-UHFFFAOYSA-N -1 3 399.454 3.733 20 0 GHADHM O=C(NCCCOc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738076032 598849483 /nfs/dbraw/zinc/84/94/83/598849483.db2.gz PEBIPEMCJVACGX-UHFFFAOYSA-N -1 3 399.454 3.733 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)CSc1ccccc1 ZINC000736036843 598884484 /nfs/dbraw/zinc/88/44/84/598884484.db2.gz IGYPLOWDWPZKKT-LSDHHAIUSA-N -1 3 398.488 3.606 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)CSc1ccccc1 ZINC000736036843 598884486 /nfs/dbraw/zinc/88/44/86/598884486.db2.gz IGYPLOWDWPZKKT-LSDHHAIUSA-N -1 3 398.488 3.606 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114259119 598900897 /nfs/dbraw/zinc/90/08/97/598900897.db2.gz UKYAMTSPNCXNSN-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114259119 598900898 /nfs/dbraw/zinc/90/08/98/598900898.db2.gz UKYAMTSPNCXNSN-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736396389 598903332 /nfs/dbraw/zinc/90/33/32/598903332.db2.gz MLOGQWUDUMWDNO-INIZCTEOSA-N -1 3 385.859 3.920 20 0 GHADHM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736396389 598903333 /nfs/dbraw/zinc/90/33/33/598903333.db2.gz MLOGQWUDUMWDNO-INIZCTEOSA-N -1 3 385.859 3.920 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000737448177 598904064 /nfs/dbraw/zinc/90/40/64/598904064.db2.gz NEADETRKKLOLCS-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000737448177 598904066 /nfs/dbraw/zinc/90/40/66/598904066.db2.gz NEADETRKKLOLCS-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000735905521 598904596 /nfs/dbraw/zinc/90/45/96/598904596.db2.gz JXQBCTGVOIAHBV-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000735905521 598904598 /nfs/dbraw/zinc/90/45/98/598904598.db2.gz JXQBCTGVOIAHBV-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC)[C@H](CC)c1ccncc1 ZINC000736637055 598904941 /nfs/dbraw/zinc/90/49/41/598904941.db2.gz NZCUEGVYCNJKJS-QGZVFWFLSA-N -1 3 395.467 3.666 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC)[C@H](CC)c1ccncc1 ZINC000736637055 598904942 /nfs/dbraw/zinc/90/49/42/598904942.db2.gz NZCUEGVYCNJKJS-QGZVFWFLSA-N -1 3 395.467 3.666 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736156861 598909346 /nfs/dbraw/zinc/90/93/46/598909346.db2.gz YKSCMLWQIZAPDI-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736156861 598909348 /nfs/dbraw/zinc/90/93/48/598909348.db2.gz YKSCMLWQIZAPDI-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923575 598910725 /nfs/dbraw/zinc/91/07/25/598910725.db2.gz MWUHALGLPDGTLK-PNHOKKKMSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923575 598910726 /nfs/dbraw/zinc/91/07/26/598910726.db2.gz MWUHALGLPDGTLK-PNHOKKKMSA-N -1 3 375.476 3.971 20 0 GHADHM C[C@@H](COc1ccccc1C(F)(F)F)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736041492 598938154 /nfs/dbraw/zinc/93/81/54/598938154.db2.gz WOGVXVNBSAEJAZ-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM C[C@@H](COc1ccccc1C(F)(F)F)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736041492 598938155 /nfs/dbraw/zinc/93/81/55/598938155.db2.gz WOGVXVNBSAEJAZ-VIFPVBQESA-N -1 3 398.776 3.813 20 0 GHADHM Cc1ccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000737360940 598946257 /nfs/dbraw/zinc/94/62/57/598946257.db2.gz DSBBCBSXWVFONN-UHFFFAOYSA-N -1 3 375.379 3.658 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000736114601 598962678 /nfs/dbraw/zinc/96/26/78/598962678.db2.gz UXHRHARUDAVZNO-VXGBXAGGSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000736114601 598962680 /nfs/dbraw/zinc/96/26/80/598962680.db2.gz UXHRHARUDAVZNO-VXGBXAGGSA-N -1 3 393.476 3.598 20 0 GHADHM CC(C)Cc1noc(-c2cccc(COc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000735851485 598969890 /nfs/dbraw/zinc/96/98/90/598969890.db2.gz XFSGROUIQCCKTC-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM CC(C)Cc1noc(-c2cccc(COc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000735851485 598969891 /nfs/dbraw/zinc/96/98/91/598969891.db2.gz XFSGROUIQCCKTC-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736248545 598987887 /nfs/dbraw/zinc/98/78/87/598987887.db2.gz JCPBTLMWBMBNRT-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736248545 598987888 /nfs/dbraw/zinc/98/78/88/598987888.db2.gz JCPBTLMWBMBNRT-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738045940 598999595 /nfs/dbraw/zinc/99/95/95/598999595.db2.gz RZGZXVFPWRDNBM-INIZCTEOSA-N -1 3 389.459 3.532 20 0 GHADHM COC1CCC(N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000736960331 599009344 /nfs/dbraw/zinc/00/93/44/599009344.db2.gz DPWFLPDJPFFENT-UHFFFAOYSA-N -1 3 391.475 3.563 20 0 GHADHM COC1CCC(N(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000736960331 599009346 /nfs/dbraw/zinc/00/93/46/599009346.db2.gz DPWFLPDJPFFENT-UHFFFAOYSA-N -1 3 391.475 3.563 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1c(F)cccc1Cl ZINC000737031680 599009772 /nfs/dbraw/zinc/00/97/72/599009772.db2.gz DCIRBNQCCIIOKH-UHFFFAOYSA-N -1 3 394.859 3.980 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1c(F)cccc1Cl ZINC000737031680 599009774 /nfs/dbraw/zinc/00/97/74/599009774.db2.gz DCIRBNQCCIIOKH-UHFFFAOYSA-N -1 3 394.859 3.980 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736226178 599013881 /nfs/dbraw/zinc/01/38/81/599013881.db2.gz GHAXHTBXDWPRHA-OLZOCXBDSA-N -1 3 382.493 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1OCC1CC1 ZINC000738150743 599020054 /nfs/dbraw/zinc/02/00/54/599020054.db2.gz CFVMYHJTUPXTDZ-UHFFFAOYSA-N -1 3 384.827 3.953 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1OCC1CC1 ZINC000738150743 599020056 /nfs/dbraw/zinc/02/00/56/599020056.db2.gz CFVMYHJTUPXTDZ-UHFFFAOYSA-N -1 3 384.827 3.953 20 0 GHADHM C[C@H](OCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736163232 599038540 /nfs/dbraw/zinc/03/85/40/599038540.db2.gz GYRHCHZOCSQKRQ-LBPRGKRZSA-N -1 3 392.385 3.860 20 0 GHADHM C[C@H](OCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736163232 599038543 /nfs/dbraw/zinc/03/85/43/599038543.db2.gz GYRHCHZOCSQKRQ-LBPRGKRZSA-N -1 3 392.385 3.860 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCSc2ccccc2)n1 ZINC000737636492 599043258 /nfs/dbraw/zinc/04/32/58/599043258.db2.gz UUOJHQQDJUCJSL-UHFFFAOYSA-N -1 3 380.399 3.875 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCSc2ccccc2)n1 ZINC000737636492 599043261 /nfs/dbraw/zinc/04/32/61/599043261.db2.gz UUOJHQQDJUCJSL-UHFFFAOYSA-N -1 3 380.399 3.875 20 0 GHADHM Cc1csc([C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)n1 ZINC000822410142 599045344 /nfs/dbraw/zinc/04/53/44/599045344.db2.gz XMMVIZCTIFMFFN-LLVKDONJSA-N -1 3 381.387 3.609 20 0 GHADHM Cc1csc([C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)n1 ZINC000822410142 599045346 /nfs/dbraw/zinc/04/53/46/599045346.db2.gz XMMVIZCTIFMFFN-LLVKDONJSA-N -1 3 381.387 3.609 20 0 GHADHM CCc1cccc2c1OCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736695280 599051838 /nfs/dbraw/zinc/05/18/38/599051838.db2.gz KGFFTUOENDDCDC-CYBMUJFWSA-N -1 3 390.369 3.779 20 0 GHADHM CCc1cccc2c1OCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736695280 599051840 /nfs/dbraw/zinc/05/18/40/599051840.db2.gz KGFFTUOENDDCDC-CYBMUJFWSA-N -1 3 390.369 3.779 20 0 GHADHM CC(C)(C)c1csc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)n1 ZINC000735657674 599053277 /nfs/dbraw/zinc/05/32/77/599053277.db2.gz VZSLOJKLQBZAMS-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM CC(C)(C)c1csc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)n1 ZINC000735657674 599053280 /nfs/dbraw/zinc/05/32/80/599053280.db2.gz VZSLOJKLQBZAMS-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCOC4(CCCCC4)C3)c2c1 ZINC000822582481 599055680 /nfs/dbraw/zinc/05/56/80/599055680.db2.gz UZFRAJYRGKBRMG-UHFFFAOYSA-N -1 3 384.871 3.608 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCOC4(CCCCC4)C3)c2c1 ZINC000822582481 599055682 /nfs/dbraw/zinc/05/56/82/599055682.db2.gz UZFRAJYRGKBRMG-UHFFFAOYSA-N -1 3 384.871 3.608 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000736478944 599070643 /nfs/dbraw/zinc/07/06/43/599070643.db2.gz GSXQWCFRDQBWDO-IRXDYDNUSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000736478944 599070646 /nfs/dbraw/zinc/07/06/46/599070646.db2.gz GSXQWCFRDQBWDO-IRXDYDNUSA-N -1 3 397.429 3.687 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736245648 599086619 /nfs/dbraw/zinc/08/66/19/599086619.db2.gz UEULPQRJCHWZQB-HUUCEWRRSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736245648 599086620 /nfs/dbraw/zinc/08/66/20/599086620.db2.gz UEULPQRJCHWZQB-HUUCEWRRSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736243975 599086964 /nfs/dbraw/zinc/08/69/64/599086964.db2.gz BMPCPWPYGBEXAU-LSDHHAIUSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736243975 599086968 /nfs/dbraw/zinc/08/69/68/599086968.db2.gz BMPCPWPYGBEXAU-LSDHHAIUSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820046259 599097275 /nfs/dbraw/zinc/09/72/75/599097275.db2.gz QWZSUPGXOFAMCD-ZDUSSCGKSA-N -1 3 392.891 3.785 20 0 GHADHM CC(C)[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820046259 599097277 /nfs/dbraw/zinc/09/72/77/599097277.db2.gz QWZSUPGXOFAMCD-ZDUSSCGKSA-N -1 3 392.891 3.785 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000736267120 599102387 /nfs/dbraw/zinc/10/23/87/599102387.db2.gz QEZVXPAPBLNSFW-HUUCEWRRSA-N -1 3 376.464 3.871 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000822233510 599108481 /nfs/dbraw/zinc/10/84/81/599108481.db2.gz QLKGVGNOTSRYDH-HKUYNNGSSA-N -1 3 378.480 3.767 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000822233510 599108486 /nfs/dbraw/zinc/10/84/86/599108486.db2.gz QLKGVGNOTSRYDH-HKUYNNGSSA-N -1 3 378.480 3.767 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2ccc(-c3cccnc3)cc2)n1 ZINC000822723507 599111267 /nfs/dbraw/zinc/11/12/67/599111267.db2.gz HATHTKRDPHJLSG-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2ccc(-c3cccnc3)cc2)n1 ZINC000822723507 599111268 /nfs/dbraw/zinc/11/12/68/599111268.db2.gz HATHTKRDPHJLSG-UHFFFAOYSA-N -1 3 397.364 3.955 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1Cl ZINC000820151051 599143449 /nfs/dbraw/zinc/14/34/49/599143449.db2.gz BLENYLOBJJIZCN-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1Cl ZINC000820151051 599143452 /nfs/dbraw/zinc/14/34/52/599143452.db2.gz BLENYLOBJJIZCN-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM Cc1cc(F)cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000822203215 599153476 /nfs/dbraw/zinc/15/34/76/599153476.db2.gz JIYWDTRAUZTDIE-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM O=C(CCCC1CCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822955249 599154381 /nfs/dbraw/zinc/15/43/81/599154381.db2.gz NHSVCEAUBKGVEJ-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(CCCC1CCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822955249 599154384 /nfs/dbraw/zinc/15/43/84/599154384.db2.gz NHSVCEAUBKGVEJ-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM c1cnc2c(c1)cccc2SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738404603 599163208 /nfs/dbraw/zinc/16/32/08/599163208.db2.gz GEAZMXSXKNQWIO-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1cnc2c(c1)cccc2SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738404603 599163211 /nfs/dbraw/zinc/16/32/11/599163211.db2.gz GEAZMXSXKNQWIO-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1F ZINC000735735601 599165663 /nfs/dbraw/zinc/16/56/63/599165663.db2.gz NYRVZUDYFKEYBE-INIZCTEOSA-N -1 3 389.431 3.900 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1F ZINC000735735601 599165665 /nfs/dbraw/zinc/16/56/65/599165665.db2.gz NYRVZUDYFKEYBE-INIZCTEOSA-N -1 3 389.431 3.900 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737333139 599167535 /nfs/dbraw/zinc/16/75/35/599167535.db2.gz RQZCBEUCOHWBIS-GOSISDBHSA-N -1 3 395.463 3.681 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737333139 599167538 /nfs/dbraw/zinc/16/75/38/599167538.db2.gz RQZCBEUCOHWBIS-GOSISDBHSA-N -1 3 395.463 3.681 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000736900697 599169559 /nfs/dbraw/zinc/16/95/59/599169559.db2.gz FHSXEQCQNBUWNU-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736900697 599169560 /nfs/dbraw/zinc/16/95/60/599169560.db2.gz FHSXEQCQNBUWNU-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251791 599176261 /nfs/dbraw/zinc/17/62/61/599176261.db2.gz RXZUVJSNWFQJJZ-GJZGRUSLSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251791 599176263 /nfs/dbraw/zinc/17/62/63/599176263.db2.gz RXZUVJSNWFQJJZ-GJZGRUSLSA-N -1 3 375.215 3.883 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822228766 599179295 /nfs/dbraw/zinc/17/92/95/599179295.db2.gz FEIMNXVQSHPTFR-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822228766 599179298 /nfs/dbraw/zinc/17/92/98/599179298.db2.gz FEIMNXVQSHPTFR-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc2cccc(F)c2o1 ZINC000737027005 599180537 /nfs/dbraw/zinc/18/05/37/599180537.db2.gz WQSZKJKJHJRWRC-UHFFFAOYSA-N -1 3 388.742 3.633 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc2cccc(F)c2o1 ZINC000737027005 599180540 /nfs/dbraw/zinc/18/05/40/599180540.db2.gz WQSZKJKJHJRWRC-UHFFFAOYSA-N -1 3 388.742 3.633 20 0 GHADHM Cn1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1-c1ccccc1 ZINC000737589791 599180909 /nfs/dbraw/zinc/18/09/09/599180909.db2.gz DWONTWBXIQSQKF-UHFFFAOYSA-N -1 3 398.470 3.677 20 0 GHADHM Cn1c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1-c1ccccc1 ZINC000737589791 599180912 /nfs/dbraw/zinc/18/09/12/599180912.db2.gz DWONTWBXIQSQKF-UHFFFAOYSA-N -1 3 398.470 3.677 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(Sc2ccccc2)CCCC1 ZINC000823235490 599184595 /nfs/dbraw/zinc/18/45/95/599184595.db2.gz VQDFNSBBHQFDFL-UHFFFAOYSA-N -1 3 397.479 3.727 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(Sc2ccccc2)CCCC1 ZINC000823235490 599184598 /nfs/dbraw/zinc/18/45/98/599184598.db2.gz VQDFNSBBHQFDFL-UHFFFAOYSA-N -1 3 397.479 3.727 20 0 GHADHM Cn1ccc2ccc(NC(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000737611128 599185462 /nfs/dbraw/zinc/18/54/62/599185462.db2.gz DHOAAODWTVLPOT-UHFFFAOYSA-N -1 3 390.447 3.546 20 0 GHADHM Cn1ccc2ccc(NC(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000737611128 599185464 /nfs/dbraw/zinc/18/54/64/599185464.db2.gz DHOAAODWTVLPOT-UHFFFAOYSA-N -1 3 390.447 3.546 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000735874645 599182379 /nfs/dbraw/zinc/18/23/79/599182379.db2.gz KSFJGUJNFVEDFD-GOSISDBHSA-N -1 3 393.516 3.883 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000735874645 599182381 /nfs/dbraw/zinc/18/23/81/599182381.db2.gz KSFJGUJNFVEDFD-GOSISDBHSA-N -1 3 393.516 3.883 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351455 599183054 /nfs/dbraw/zinc/18/30/54/599183054.db2.gz GIQWDIYEALCSJU-SFHVURJKSA-N -1 3 398.898 3.683 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736351455 599183056 /nfs/dbraw/zinc/18/30/56/599183056.db2.gz GIQWDIYEALCSJU-SFHVURJKSA-N -1 3 398.898 3.683 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000736123850 599194833 /nfs/dbraw/zinc/19/48/33/599194833.db2.gz RESRGKUQDVQUQZ-LLVKDONJSA-N -1 3 383.839 3.841 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000736123850 599194835 /nfs/dbraw/zinc/19/48/35/599194835.db2.gz RESRGKUQDVQUQZ-LLVKDONJSA-N -1 3 383.839 3.841 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000822927790 599199993 /nfs/dbraw/zinc/19/99/93/599199993.db2.gz AJMYRWDZBDIJCX-SNGWPZLWSA-N -1 3 391.500 3.521 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000822927790 599199995 /nfs/dbraw/zinc/19/99/95/599199995.db2.gz AJMYRWDZBDIJCX-SNGWPZLWSA-N -1 3 391.500 3.521 20 0 GHADHM COC(C)(C)C[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736958317 599212345 /nfs/dbraw/zinc/21/23/45/599212345.db2.gz QNOPCOXJFHTUQN-AWEZNQCLSA-N -1 3 395.463 3.592 20 0 GHADHM COC(C)(C)C[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736958317 599212347 /nfs/dbraw/zinc/21/23/47/599212347.db2.gz QNOPCOXJFHTUQN-AWEZNQCLSA-N -1 3 395.463 3.592 20 0 GHADHM COCCCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736978129 599216779 /nfs/dbraw/zinc/21/67/79/599216779.db2.gz FKLCPJWODLGCLD-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM COCCCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736978129 599216782 /nfs/dbraw/zinc/21/67/82/599216782.db2.gz FKLCPJWODLGCLD-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM Cc1cc(C)c(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822194130 599229434 /nfs/dbraw/zinc/22/94/34/599229434.db2.gz KFLNGDNKVXHHCB-UHFFFAOYSA-N -1 3 390.875 3.763 20 0 GHADHM Cc1cc(C)c(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822194130 599229437 /nfs/dbraw/zinc/22/94/37/599229437.db2.gz KFLNGDNKVXHHCB-UHFFFAOYSA-N -1 3 390.875 3.763 20 0 GHADHM CC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820875668 599230002 /nfs/dbraw/zinc/23/00/02/599230002.db2.gz CFGLCEGZJXIZOW-NSHDSACASA-N -1 3 386.456 3.883 20 0 GHADHM CC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820875668 599230004 /nfs/dbraw/zinc/23/00/04/599230004.db2.gz CFGLCEGZJXIZOW-NSHDSACASA-N -1 3 386.456 3.883 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737316793 599231867 /nfs/dbraw/zinc/23/18/67/599231867.db2.gz FNVKYXNUIDKIIC-UHFFFAOYSA-N -1 3 395.532 3.703 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737316793 599231869 /nfs/dbraw/zinc/23/18/69/599231869.db2.gz FNVKYXNUIDKIIC-UHFFFAOYSA-N -1 3 395.532 3.703 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737833642 599227601 /nfs/dbraw/zinc/22/76/01/599227601.db2.gz ZCLPWGVDGGNYGB-LZLYRXPVSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000737833642 599227603 /nfs/dbraw/zinc/22/76/03/599227603.db2.gz ZCLPWGVDGGNYGB-LZLYRXPVSA-N -1 3 383.496 3.501 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820668609 599227682 /nfs/dbraw/zinc/22/76/82/599227682.db2.gz VJJNCORKNXZABO-SJCJKPOMSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820668609 599227685 /nfs/dbraw/zinc/22/76/85/599227685.db2.gz VJJNCORKNXZABO-SJCJKPOMSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820668608 599227937 /nfs/dbraw/zinc/22/79/37/599227937.db2.gz VJJNCORKNXZABO-PXAZEXFGSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820668608 599227940 /nfs/dbraw/zinc/22/79/40/599227940.db2.gz VJJNCORKNXZABO-PXAZEXFGSA-N -1 3 382.468 3.786 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823731959 599229088 /nfs/dbraw/zinc/22/90/88/599229088.db2.gz HQSSSEUCIUUYJB-AWEZNQCLSA-N -1 3 396.545 3.678 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823731959 599229090 /nfs/dbraw/zinc/22/90/90/599229090.db2.gz HQSSSEUCIUUYJB-AWEZNQCLSA-N -1 3 396.545 3.678 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1OCCC(C)C ZINC000821703315 607267663 /nfs/dbraw/zinc/26/76/63/607267663.db2.gz YWOWUARYHAJUGE-UHFFFAOYSA-N -1 3 395.463 3.861 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1OCCC(C)C ZINC000821703315 607267664 /nfs/dbraw/zinc/26/76/64/607267664.db2.gz YWOWUARYHAJUGE-UHFFFAOYSA-N -1 3 395.463 3.861 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000820903288 607276582 /nfs/dbraw/zinc/27/65/82/607276582.db2.gz SGJFBYBJVQLGSL-UHFFFAOYSA-N -1 3 395.511 3.723 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000820903288 607276583 /nfs/dbraw/zinc/27/65/83/607276583.db2.gz SGJFBYBJVQLGSL-UHFFFAOYSA-N -1 3 395.511 3.723 20 0 GHADHM Cc1nn(-c2ccccc2)c(COc2cc(Cl)ccc2F)c1-c1nnn[n-]1 ZINC000737502869 599246372 /nfs/dbraw/zinc/24/63/72/599246372.db2.gz CNTWENOIUSFABY-UHFFFAOYSA-N -1 3 384.802 3.732 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc2cc(F)ccc2o1 ZINC000738212523 599246964 /nfs/dbraw/zinc/24/69/64/599246964.db2.gz WGKNKNZGLLLMOE-UHFFFAOYSA-N -1 3 383.408 3.945 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc2cc(F)ccc2o1 ZINC000738212523 599246967 /nfs/dbraw/zinc/24/69/67/599246967.db2.gz WGKNKNZGLLLMOE-UHFFFAOYSA-N -1 3 383.408 3.945 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000818053996 597246267 /nfs/dbraw/zinc/24/62/67/597246267.db2.gz VKSHXLSAGOLHQV-OAHLLOKOSA-N -1 3 387.501 3.952 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379391 599251542 /nfs/dbraw/zinc/25/15/42/599251542.db2.gz CDBRQMVTCNAEKY-LLVKDONJSA-N -1 3 389.419 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379391 599251544 /nfs/dbraw/zinc/25/15/44/599251544.db2.gz CDBRQMVTCNAEKY-LLVKDONJSA-N -1 3 389.419 3.768 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822091399 607280615 /nfs/dbraw/zinc/28/06/15/607280615.db2.gz QJTWBEXCNHEYGW-NSHDSACASA-N -1 3 379.449 3.668 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822091399 607280616 /nfs/dbraw/zinc/28/06/16/607280616.db2.gz QJTWBEXCNHEYGW-NSHDSACASA-N -1 3 379.449 3.668 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737933050 599252811 /nfs/dbraw/zinc/25/28/11/599252811.db2.gz SEAQDCFBRYIEPM-KRWDZBQOSA-N -1 3 399.907 3.727 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737933050 599252812 /nfs/dbraw/zinc/25/28/12/599252812.db2.gz SEAQDCFBRYIEPM-KRWDZBQOSA-N -1 3 399.907 3.727 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)cc1 ZINC000737090146 599255193 /nfs/dbraw/zinc/25/51/93/599255193.db2.gz BTDICSSCWVPKFS-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)cc1 ZINC000737090146 599255195 /nfs/dbraw/zinc/25/51/95/599255195.db2.gz BTDICSSCWVPKFS-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM Cc1c(NC(=O)NC2CC(c3cccc(Cl)c3)C2)cccc1-c1nnn[n-]1 ZINC000822090222 607284179 /nfs/dbraw/zinc/28/41/79/607284179.db2.gz JCQKNQUVXLSSQK-UHFFFAOYSA-N -1 3 382.855 3.896 20 0 GHADHM Cc1c(NC(=O)NC2CC(c3cccc(Cl)c3)C2)cccc1-c1nn[n-]n1 ZINC000822090222 607284180 /nfs/dbraw/zinc/28/41/80/607284180.db2.gz JCQKNQUVXLSSQK-UHFFFAOYSA-N -1 3 382.855 3.896 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822092806 607284345 /nfs/dbraw/zinc/28/43/45/607284345.db2.gz ZNRQMYUDIHXSCF-INIZCTEOSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822092806 607284346 /nfs/dbraw/zinc/28/43/46/607284346.db2.gz ZNRQMYUDIHXSCF-INIZCTEOSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822083406 607284460 /nfs/dbraw/zinc/28/44/60/607284460.db2.gz AIRBLAXKGAHWBO-NRFANRHFSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822083406 607284461 /nfs/dbraw/zinc/28/44/61/607284461.db2.gz AIRBLAXKGAHWBO-NRFANRHFSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCc2[nH]c3ccccc3c2C1 ZINC000737261906 599262539 /nfs/dbraw/zinc/26/25/39/599262539.db2.gz CQXFLNVDMHGLNC-UHFFFAOYSA-N -1 3 399.433 3.906 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCc2[nH]c3ccccc3c2C1 ZINC000737261906 599262541 /nfs/dbraw/zinc/26/25/41/599262541.db2.gz CQXFLNVDMHGLNC-UHFFFAOYSA-N -1 3 399.433 3.906 20 0 GHADHM Cc1c(NC(=O)c2cc(Cl)ccc2OC(F)F)cccc1-c1nnn[n-]1 ZINC000822108427 607295176 /nfs/dbraw/zinc/29/51/76/607295176.db2.gz JHJNFOILCZSXOD-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1c(NC(=O)c2cc(Cl)ccc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822108427 607295177 /nfs/dbraw/zinc/29/51/77/607295177.db2.gz JHJNFOILCZSXOD-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM COc1ccc2sc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c(C)c2c1 ZINC000821854748 607296258 /nfs/dbraw/zinc/29/62/58/607296258.db2.gz UFUZLZLRWZKULB-UHFFFAOYSA-N -1 3 379.445 3.959 20 0 GHADHM COc1ccc2sc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c(C)c2c1 ZINC000821854748 607296259 /nfs/dbraw/zinc/29/62/59/607296259.db2.gz UFUZLZLRWZKULB-UHFFFAOYSA-N -1 3 379.445 3.959 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820876061 599264550 /nfs/dbraw/zinc/26/45/50/599264550.db2.gz KZVAZNBMYFEEQI-KBPBESRZSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820876061 599264552 /nfs/dbraw/zinc/26/45/52/599264552.db2.gz KZVAZNBMYFEEQI-KBPBESRZSA-N -1 3 380.452 3.927 20 0 GHADHM CCOCCC1(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCC1 ZINC000821373674 607303934 /nfs/dbraw/zinc/30/39/34/607303934.db2.gz KLYHJKVIBQZYHA-UHFFFAOYSA-N -1 3 398.492 3.526 20 0 GHADHM CCOCCC1(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCC1 ZINC000821373674 607303935 /nfs/dbraw/zinc/30/39/35/607303935.db2.gz KLYHJKVIBQZYHA-UHFFFAOYSA-N -1 3 398.492 3.526 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823182912 599266247 /nfs/dbraw/zinc/26/62/47/599266247.db2.gz QCMKMQIGFSKOMY-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823182912 599266249 /nfs/dbraw/zinc/26/62/49/599266249.db2.gz QCMKMQIGFSKOMY-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM Clc1cc(N2CCC[C@H]2c2cccc3c2OCCO3)ccc1-c1nnn[n-]1 ZINC000737567297 599267047 /nfs/dbraw/zinc/26/70/47/599267047.db2.gz ZMTAQFHYKOXXBY-INIZCTEOSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cc(N2CCC[C@H]2c2cccc3c2OCCO3)ccc1-c1nn[n-]n1 ZINC000737567297 599267051 /nfs/dbraw/zinc/26/70/51/599267051.db2.gz ZMTAQFHYKOXXBY-INIZCTEOSA-N -1 3 383.839 3.633 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000821761656 599271738 /nfs/dbraw/zinc/27/17/38/599271738.db2.gz DSYJTRBWJNALOJ-PBHICJAKSA-N -1 3 392.463 3.533 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000821761656 599271740 /nfs/dbraw/zinc/27/17/40/599271740.db2.gz DSYJTRBWJNALOJ-PBHICJAKSA-N -1 3 392.463 3.533 20 0 GHADHM COc1ccc(CNc2cc(F)ccc2SCC(F)F)cc1-c1nnn[n-]1 ZINC000821821612 607317925 /nfs/dbraw/zinc/31/79/25/607317925.db2.gz NJOFEVWWQGODMY-UHFFFAOYSA-N -1 3 395.410 3.984 20 0 GHADHM COc1ccc(CNc2cc(F)ccc2SCC(F)F)cc1-c1nn[n-]n1 ZINC000821821612 607317926 /nfs/dbraw/zinc/31/79/26/607317926.db2.gz NJOFEVWWQGODMY-UHFFFAOYSA-N -1 3 395.410 3.984 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000736487974 599275219 /nfs/dbraw/zinc/27/52/19/599275219.db2.gz MERLKBMENDWZPC-UHFFFAOYSA-N -1 3 388.834 3.662 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCn1ccc2ccccc21 ZINC000736487871 599275308 /nfs/dbraw/zinc/27/53/08/599275308.db2.gz JGCDBZJAKSYCPR-UHFFFAOYSA-N -1 3 389.463 3.672 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)o1 ZINC000736682274 599275847 /nfs/dbraw/zinc/27/58/47/599275847.db2.gz AAQSCVBRDXQSFG-HNNXBMFYSA-N -1 3 397.483 3.948 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)o1 ZINC000736682274 599275849 /nfs/dbraw/zinc/27/58/49/599275849.db2.gz AAQSCVBRDXQSFG-HNNXBMFYSA-N -1 3 397.483 3.948 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820665304 599278450 /nfs/dbraw/zinc/27/84/50/599278450.db2.gz FLSICZIRKYUAQT-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820665304 599278451 /nfs/dbraw/zinc/27/84/51/599278451.db2.gz FLSICZIRKYUAQT-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCc2ccccc21 ZINC000736488358 599278797 /nfs/dbraw/zinc/27/87/97/599278797.db2.gz PUMLHEJAJNQMBQ-KRWDZBQOSA-N -1 3 376.464 3.747 20 0 GHADHM CCc1cccc(CC)c1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000736701178 599283198 /nfs/dbraw/zinc/28/31/98/599283198.db2.gz WXWNOYXZUHTHDN-UHFFFAOYSA-N -1 3 379.464 3.626 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000821612111 599283907 /nfs/dbraw/zinc/28/39/07/599283907.db2.gz JAFSRSZAUBCXKQ-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000821612111 599283910 /nfs/dbraw/zinc/28/39/10/599283910.db2.gz JAFSRSZAUBCXKQ-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000822208426 599284968 /nfs/dbraw/zinc/28/49/68/599284968.db2.gz QXXAJDHFIRAVQM-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000822208426 599284971 /nfs/dbraw/zinc/28/49/71/599284971.db2.gz QXXAJDHFIRAVQM-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820253564 599285726 /nfs/dbraw/zinc/28/57/26/599285726.db2.gz JXEUNKWISHGFNO-JTQLQIEISA-N -1 3 394.357 3.621 20 0 GHADHM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820253564 599285728 /nfs/dbraw/zinc/28/57/28/599285728.db2.gz JXEUNKWISHGFNO-JTQLQIEISA-N -1 3 394.357 3.621 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820921088 599286554 /nfs/dbraw/zinc/28/65/54/599286554.db2.gz VNVGQFUKXAZYAU-AWEZNQCLSA-N -1 3 391.357 3.553 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820921088 599286556 /nfs/dbraw/zinc/28/65/56/599286556.db2.gz VNVGQFUKXAZYAU-AWEZNQCLSA-N -1 3 391.357 3.553 20 0 GHADHM C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193151 599287876 /nfs/dbraw/zinc/28/78/76/599287876.db2.gz PVIKBYWZZIJJPT-CYBMUJFWSA-N -1 3 396.524 3.637 20 0 GHADHM C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193151 599287878 /nfs/dbraw/zinc/28/78/78/599287878.db2.gz PVIKBYWZZIJJPT-CYBMUJFWSA-N -1 3 396.524 3.637 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)o1 ZINC000737332881 599288900 /nfs/dbraw/zinc/28/89/00/599288900.db2.gz XGPSZZWTNVZMQZ-INIZCTEOSA-N -1 3 391.435 3.545 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)o1 ZINC000737332881 599288901 /nfs/dbraw/zinc/28/89/01/599288901.db2.gz XGPSZZWTNVZMQZ-INIZCTEOSA-N -1 3 391.435 3.545 20 0 GHADHM Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)cccc1-c1nnn[n-]1 ZINC000822108965 607321189 /nfs/dbraw/zinc/32/11/89/607321189.db2.gz NSNPZMVDGRWYEL-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)cccc1-c1nn[n-]n1 ZINC000822108965 607321190 /nfs/dbraw/zinc/32/11/90/607321190.db2.gz NSNPZMVDGRWYEL-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM Cc1ccc(OCc2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737366847 599290560 /nfs/dbraw/zinc/29/05/60/599290560.db2.gz XFCVHXOFYSVQMA-ZDUSSCGKSA-N -1 3 394.460 3.990 20 0 GHADHM Cc1ccc(OCc2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737366847 599290562 /nfs/dbraw/zinc/29/05/62/599290562.db2.gz XFCVHXOFYSVQMA-ZDUSSCGKSA-N -1 3 394.460 3.990 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000820372527 599290947 /nfs/dbraw/zinc/29/09/47/599290947.db2.gz ABRKPGWIQFVWHS-QMMMGPOBSA-N -1 3 382.371 3.830 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000820372527 599290949 /nfs/dbraw/zinc/29/09/49/599290949.db2.gz ABRKPGWIQFVWHS-QMMMGPOBSA-N -1 3 382.371 3.830 20 0 GHADHM COc1ccc(NC(=O)[C@H](NC2CCC(C(=O)[O-])CC2)c2ccccc2)cc1 ZINC000820841023 598135903 /nfs/dbraw/zinc/13/59/03/598135903.db2.gz FDHBYPWXEYDDCC-LBXVMSDZSA-N -1 3 382.460 3.608 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000737941469 598232879 /nfs/dbraw/zinc/23/28/79/598232879.db2.gz BZNACKYDFWXQFJ-IBGZPJMESA-N -1 3 379.489 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000737941469 598232881 /nfs/dbraw/zinc/23/28/81/598232881.db2.gz BZNACKYDFWXQFJ-IBGZPJMESA-N -1 3 379.489 3.616 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736664957 598267446 /nfs/dbraw/zinc/26/74/46/598267446.db2.gz BOVBXZUNMQBCPF-UHFFFAOYSA-N -1 3 388.884 3.954 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736664957 598267447 /nfs/dbraw/zinc/26/74/47/598267447.db2.gz BOVBXZUNMQBCPF-UHFFFAOYSA-N -1 3 388.884 3.954 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C2CCC1CC2 ZINC000738185086 598268616 /nfs/dbraw/zinc/26/86/16/598268616.db2.gz QYFZDABMCBYMHT-UHFFFAOYSA-N -1 3 376.420 3.818 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C2CCC1CC2 ZINC000738185086 598268617 /nfs/dbraw/zinc/26/86/17/598268617.db2.gz QYFZDABMCBYMHT-UHFFFAOYSA-N -1 3 376.420 3.818 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1Cl ZINC000736118141 598274836 /nfs/dbraw/zinc/27/48/36/598274836.db2.gz UBKWPEKJBKBOPI-LLVKDONJSA-N -1 3 387.875 3.959 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1Cl ZINC000736118141 598274838 /nfs/dbraw/zinc/27/48/38/598274838.db2.gz UBKWPEKJBKBOPI-LLVKDONJSA-N -1 3 387.875 3.959 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(Cn2cccn2)cc1 ZINC000737627309 598275806 /nfs/dbraw/zinc/27/58/06/598275806.db2.gz PBWRGACNKNMFMD-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(OC)cc1 ZINC000736364336 598276562 /nfs/dbraw/zinc/27/65/62/598276562.db2.gz RBKDYHQHQGGNAN-MRXNPFEDSA-N -1 3 397.483 3.705 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(OC)cc1 ZINC000736364336 598276563 /nfs/dbraw/zinc/27/65/63/598276563.db2.gz RBKDYHQHQGGNAN-MRXNPFEDSA-N -1 3 397.483 3.705 20 0 GHADHM CN(CCCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736797475 598278301 /nfs/dbraw/zinc/27/83/01/598278301.db2.gz IZKCIOPEGBLZSR-UHFFFAOYSA-N -1 3 381.484 3.520 20 0 GHADHM CN(CCCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736797475 598278302 /nfs/dbraw/zinc/27/83/02/598278302.db2.gz IZKCIOPEGBLZSR-UHFFFAOYSA-N -1 3 381.484 3.520 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c(C)s1 ZINC000737243913 598278574 /nfs/dbraw/zinc/27/85/74/598278574.db2.gz CMQCMDQDSOMRQC-LLVKDONJSA-N -1 3 387.513 3.984 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c(C)s1 ZINC000737243913 598278575 /nfs/dbraw/zinc/27/85/75/598278575.db2.gz CMQCMDQDSOMRQC-LLVKDONJSA-N -1 3 387.513 3.984 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000736676908 598283105 /nfs/dbraw/zinc/28/31/05/598283105.db2.gz VEMMVNJGSIZYJK-UHFFFAOYSA-N -1 3 395.410 3.999 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000736676908 598283106 /nfs/dbraw/zinc/28/31/06/598283106.db2.gz VEMMVNJGSIZYJK-UHFFFAOYSA-N -1 3 395.410 3.999 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504469 598295393 /nfs/dbraw/zinc/29/53/93/598295393.db2.gz DXPKPZOUDDWDBY-HNNXBMFYSA-N -1 3 388.475 3.809 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504469 598295394 /nfs/dbraw/zinc/29/53/94/598295394.db2.gz DXPKPZOUDDWDBY-HNNXBMFYSA-N -1 3 388.475 3.809 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)c[nH]c2c1 ZINC000737372521 598296071 /nfs/dbraw/zinc/29/60/71/598296071.db2.gz ZZYOFNYSYYXJML-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)c[nH]c2c1 ZINC000737372521 598296073 /nfs/dbraw/zinc/29/60/73/598296073.db2.gz ZZYOFNYSYYXJML-UHFFFAOYSA-N -1 3 392.488 3.778 20 0 GHADHM C[C@@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000736018969 598296410 /nfs/dbraw/zinc/29/64/10/598296410.db2.gz YDZCZWPITJXJJP-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM C[C@@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000736018969 598296411 /nfs/dbraw/zinc/29/64/11/598296411.db2.gz YDZCZWPITJXJJP-NSHDSACASA-N -1 3 390.274 3.636 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737854782 598298941 /nfs/dbraw/zinc/29/89/41/598298941.db2.gz WPNXFQWEXREPMK-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737854782 598298943 /nfs/dbraw/zinc/29/89/43/598298943.db2.gz WPNXFQWEXREPMK-UHFFFAOYSA-N -1 3 394.237 3.562 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1C(C)C ZINC000737278923 598300497 /nfs/dbraw/zinc/30/04/97/598300497.db2.gz LZYCANVPUFWFPD-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1C(C)C ZINC000737278923 598300499 /nfs/dbraw/zinc/30/04/99/598300499.db2.gz LZYCANVPUFWFPD-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Oc1ccccc1 ZINC000738101557 598306635 /nfs/dbraw/zinc/30/66/35/598306635.db2.gz IJAYTUULACUZND-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Oc1ccccc1 ZINC000738101557 598306637 /nfs/dbraw/zinc/30/66/37/598306637.db2.gz IJAYTUULACUZND-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000737956465 598307791 /nfs/dbraw/zinc/30/77/91/598307791.db2.gz ZPWHDDOCWFWLQM-NRFANRHFSA-N -1 3 388.402 3.881 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000737956465 598307793 /nfs/dbraw/zinc/30/77/93/598307793.db2.gz ZPWHDDOCWFWLQM-NRFANRHFSA-N -1 3 388.402 3.881 20 0 GHADHM Fc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000737647286 598324444 /nfs/dbraw/zinc/32/44/44/598324444.db2.gz AYPFSQVHEAMGNQ-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000737647286 598324446 /nfs/dbraw/zinc/32/44/46/598324446.db2.gz AYPFSQVHEAMGNQ-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Cc1ccc(C)c(N(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737321164 598373119 /nfs/dbraw/zinc/37/31/19/598373119.db2.gz DUVNLBCICKVULS-INIZCTEOSA-N -1 3 379.464 3.692 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096142 598379219 /nfs/dbraw/zinc/37/92/19/598379219.db2.gz AJWXTCPBCBCVJE-QRWLVFNGSA-N -1 3 391.475 3.744 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096142 598379221 /nfs/dbraw/zinc/37/92/21/598379221.db2.gz AJWXTCPBCBCVJE-QRWLVFNGSA-N -1 3 391.475 3.744 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736201225 598382895 /nfs/dbraw/zinc/38/28/95/598382895.db2.gz WEPRBUSBGBLLJA-CYBMUJFWSA-N -1 3 396.882 3.684 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000737566340 598386810 /nfs/dbraw/zinc/38/68/10/598386810.db2.gz ZPMXPYFPGZGSJI-LLVKDONJSA-N -1 3 397.895 3.909 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000737566340 598386811 /nfs/dbraw/zinc/38/68/11/598386811.db2.gz ZPMXPYFPGZGSJI-LLVKDONJSA-N -1 3 397.895 3.909 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000736480877 598392284 /nfs/dbraw/zinc/39/22/84/598392284.db2.gz NZEUVCWWJMOUIW-IBGZPJMESA-N -1 3 394.454 3.615 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000736480877 598392285 /nfs/dbraw/zinc/39/22/85/598392285.db2.gz NZEUVCWWJMOUIW-IBGZPJMESA-N -1 3 394.454 3.615 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nnc(-c3cccc(Cl)c3)o2)n1 ZINC000737241402 598393260 /nfs/dbraw/zinc/39/32/60/598393260.db2.gz PSKJEFJDCPNTKO-UHFFFAOYSA-N -1 3 399.867 3.874 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nnc(-c3cccc(Cl)c3)o2)n1 ZINC000737241402 598393262 /nfs/dbraw/zinc/39/32/62/598393262.db2.gz PSKJEFJDCPNTKO-UHFFFAOYSA-N -1 3 399.867 3.874 20 0 GHADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736792379 598393793 /nfs/dbraw/zinc/39/37/93/598393793.db2.gz RCVWFESBMDMLIP-YOEHRIQHSA-N -1 3 384.871 3.519 20 0 GHADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736792379 598393795 /nfs/dbraw/zinc/39/37/95/598393795.db2.gz RCVWFESBMDMLIP-YOEHRIQHSA-N -1 3 384.871 3.519 20 0 GHADHM CC(=O)c1csc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000735502702 598394671 /nfs/dbraw/zinc/39/46/71/598394671.db2.gz DCJJUHMMWYEYKC-UHFFFAOYSA-N -1 3 393.428 3.571 20 0 GHADHM CC(=O)c1csc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000735502702 598394673 /nfs/dbraw/zinc/39/46/73/598394673.db2.gz DCJJUHMMWYEYKC-UHFFFAOYSA-N -1 3 393.428 3.571 20 0 GHADHM Cc1nc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)oc1-c1ccccc1 ZINC000737290214 598397032 /nfs/dbraw/zinc/39/70/32/598397032.db2.gz CZQJRLBSIUWHFH-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1nc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)oc1-c1ccccc1 ZINC000737290214 598397034 /nfs/dbraw/zinc/39/70/34/598397034.db2.gz CZQJRLBSIUWHFH-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737471086 598414141 /nfs/dbraw/zinc/41/41/41/598414141.db2.gz NMOUFIZPDGFVFF-VIFPVBQESA-N -1 3 391.888 3.818 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737471086 598414143 /nfs/dbraw/zinc/41/41/43/598414143.db2.gz NMOUFIZPDGFVFF-VIFPVBQESA-N -1 3 391.888 3.818 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000593194964 598419001 /nfs/dbraw/zinc/41/90/01/598419001.db2.gz PXBYSWRNNPURLA-UHFFFAOYSA-N -1 3 384.852 3.701 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000593194964 598419003 /nfs/dbraw/zinc/41/90/03/598419003.db2.gz PXBYSWRNNPURLA-UHFFFAOYSA-N -1 3 384.852 3.701 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738251815 598420003 /nfs/dbraw/zinc/42/00/03/598420003.db2.gz SEBZVJVBLTTYDF-KGLIPLIRSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000738251815 598420005 /nfs/dbraw/zinc/42/00/05/598420005.db2.gz SEBZVJVBLTTYDF-KGLIPLIRSA-N -1 3 375.215 3.883 20 0 GHADHM CC(C)OC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000735895052 598423802 /nfs/dbraw/zinc/42/38/02/598423802.db2.gz NSBPCRNWJPWXLL-UHFFFAOYSA-N -1 3 391.475 3.563 20 0 GHADHM CC(C)OC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000735895052 598423804 /nfs/dbraw/zinc/42/38/04/598423804.db2.gz NSBPCRNWJPWXLL-UHFFFAOYSA-N -1 3 391.475 3.563 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736166054 598426121 /nfs/dbraw/zinc/42/61/21/598426121.db2.gz YCEKFYPGGSCHTK-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736166054 598426124 /nfs/dbraw/zinc/42/61/24/598426124.db2.gz YCEKFYPGGSCHTK-JTQLQIEISA-N -1 3 393.230 3.684 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)c1ccccc1 ZINC000735874532 598427472 /nfs/dbraw/zinc/42/74/72/598427472.db2.gz JKSNPIDBOPQQBJ-UHFFFAOYSA-N -1 3 392.507 3.765 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)c1ccccc1 ZINC000735874532 598427473 /nfs/dbraw/zinc/42/74/73/598427473.db2.gz JKSNPIDBOPQQBJ-UHFFFAOYSA-N -1 3 392.507 3.765 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)CCc1ccccc1 ZINC000735992455 598427886 /nfs/dbraw/zinc/42/78/86/598427886.db2.gz GRUJXKUYXVVOHS-QGZVFWFLSA-N -1 3 392.507 3.808 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)CCc1ccccc1 ZINC000735992455 598427888 /nfs/dbraw/zinc/42/78/88/598427888.db2.gz GRUJXKUYXVVOHS-QGZVFWFLSA-N -1 3 392.507 3.808 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccc(Cl)c1 ZINC000735875056 598428003 /nfs/dbraw/zinc/42/80/03/598428003.db2.gz YSBVCDCYRZTRMM-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc(Cl)c1 ZINC000735875056 598428005 /nfs/dbraw/zinc/42/80/05/598428005.db2.gz YSBVCDCYRZTRMM-UHFFFAOYSA-N -1 3 384.871 3.640 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737319887 598430601 /nfs/dbraw/zinc/43/06/01/598430601.db2.gz HBGGAROGOKDNSC-CQSZACIVSA-N -1 3 384.509 3.918 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737319887 598430603 /nfs/dbraw/zinc/43/06/03/598430603.db2.gz HBGGAROGOKDNSC-CQSZACIVSA-N -1 3 384.509 3.918 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736120237 598432911 /nfs/dbraw/zinc/43/29/11/598432911.db2.gz YRFARRHRIVAOOO-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736120237 598432913 /nfs/dbraw/zinc/43/29/13/598432913.db2.gz YRFARRHRIVAOOO-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737151201 598433403 /nfs/dbraw/zinc/43/34/03/598433403.db2.gz AELRDMOAVJZKDC-CABCVRRESA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737151201 598433404 /nfs/dbraw/zinc/43/34/04/598433404.db2.gz AELRDMOAVJZKDC-CABCVRRESA-N -1 3 380.448 3.748 20 0 GHADHM S=C(Nc1ccc(N2CCCC2)c(Cl)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000738406066 598435082 /nfs/dbraw/zinc/43/50/82/598435082.db2.gz ADJSGIQFCRISBE-UHFFFAOYSA-N -1 3 399.911 3.929 20 0 GHADHM S=C(Nc1ccc(N2CCCC2)c(Cl)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000738406066 598435084 /nfs/dbraw/zinc/43/50/84/598435084.db2.gz ADJSGIQFCRISBE-UHFFFAOYSA-N -1 3 399.911 3.929 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cc(-c4nnn[n-]4)ccc3F)o2)c(C)c1 ZINC000737288209 598440137 /nfs/dbraw/zinc/44/01/37/598440137.db2.gz JQDSIJLOQPMWAT-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cc(-c4nn[n-]n4)ccc3F)o2)c(C)c1 ZINC000737288209 598440138 /nfs/dbraw/zinc/44/01/38/598440138.db2.gz JQDSIJLOQPMWAT-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738175604 598441337 /nfs/dbraw/zinc/44/13/37/598441337.db2.gz PQXLWPFPIPWKHV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738175604 598441338 /nfs/dbraw/zinc/44/13/38/598441338.db2.gz PQXLWPFPIPWKHV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501211 598442830 /nfs/dbraw/zinc/44/28/30/598442830.db2.gz APQSRKPCTSGZRG-GJZGRUSLSA-N -1 3 379.464 3.589 20 0 GHADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501211 598442832 /nfs/dbraw/zinc/44/28/32/598442832.db2.gz APQSRKPCTSGZRG-GJZGRUSLSA-N -1 3 379.464 3.589 20 0 GHADHM COc1ccc([C@H](C)C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737072150 598443019 /nfs/dbraw/zinc/44/30/19/598443019.db2.gz JXOAXSDQTHDXKN-HNNXBMFYSA-N -1 3 379.464 3.668 20 0 GHADHM COc1ccc([C@H](C)C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737072150 598443021 /nfs/dbraw/zinc/44/30/21/598443021.db2.gz JXOAXSDQTHDXKN-HNNXBMFYSA-N -1 3 379.464 3.668 20 0 GHADHM COc1ccccc1C(C)=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737140887 598443192 /nfs/dbraw/zinc/44/31/92/598443192.db2.gz GIDLVLUREXUMAG-DTQAZKPQSA-N -1 3 391.475 3.716 20 0 GHADHM COc1ccccc1C(C)=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737140887 598443194 /nfs/dbraw/zinc/44/31/94/598443194.db2.gz GIDLVLUREXUMAG-DTQAZKPQSA-N -1 3 391.475 3.716 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000736819636 598443264 /nfs/dbraw/zinc/44/32/64/598443264.db2.gz GGZJVCYQDWRIIA-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000736819636 598443266 /nfs/dbraw/zinc/44/32/66/598443266.db2.gz GGZJVCYQDWRIIA-SFTDATJTSA-N -1 3 383.455 3.782 20 0 GHADHM CSCc1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737180559 598450106 /nfs/dbraw/zinc/45/01/06/598450106.db2.gz CUIBXIWJICRCSC-SFHVURJKSA-N -1 3 397.504 3.772 20 0 GHADHM CSCc1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737180559 598450108 /nfs/dbraw/zinc/45/01/08/598450108.db2.gz CUIBXIWJICRCSC-SFHVURJKSA-N -1 3 397.504 3.772 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000735736004 598472525 /nfs/dbraw/zinc/47/25/25/598472525.db2.gz RFKUNUODSKUHKF-GOSISDBHSA-N -1 3 382.489 3.868 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000735736004 598472526 /nfs/dbraw/zinc/47/25/26/598472526.db2.gz RFKUNUODSKUHKF-GOSISDBHSA-N -1 3 382.489 3.868 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737089855 598474962 /nfs/dbraw/zinc/47/49/62/598474962.db2.gz XTXMFHVDDYPUMF-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737089855 598474963 /nfs/dbraw/zinc/47/49/63/598474963.db2.gz XTXMFHVDDYPUMF-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(Cl)cc1 ZINC000736111139 598477396 /nfs/dbraw/zinc/47/73/96/598477396.db2.gz KTWBBDMGBPSMAV-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(Cl)cc1 ZINC000736111139 598477397 /nfs/dbraw/zinc/47/73/97/598477397.db2.gz KTWBBDMGBPSMAV-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114618 598479621 /nfs/dbraw/zinc/47/96/21/598479621.db2.gz VBWLKBUONYBTSJ-HNNXBMFYSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114618 598479622 /nfs/dbraw/zinc/47/96/22/598479622.db2.gz VBWLKBUONYBTSJ-HNNXBMFYSA-N -1 3 378.480 3.638 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736154771 598487681 /nfs/dbraw/zinc/48/76/81/598487681.db2.gz BXQQWAVWFKBVCL-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736154771 598487683 /nfs/dbraw/zinc/48/76/83/598487683.db2.gz BXQQWAVWFKBVCL-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738270689 598495563 /nfs/dbraw/zinc/49/55/63/598495563.db2.gz SYGPJFPPHKMCKF-NRFANRHFSA-N -1 3 381.439 3.655 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000738270689 598495564 /nfs/dbraw/zinc/49/55/64/598495564.db2.gz SYGPJFPPHKMCKF-NRFANRHFSA-N -1 3 381.439 3.655 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC000736478460 598498119 /nfs/dbraw/zinc/49/81/19/598498119.db2.gz BBDAPWQRYYPUMS-MRXNPFEDSA-N -1 3 377.492 3.971 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC000736478460 598498121 /nfs/dbraw/zinc/49/81/21/598498121.db2.gz BBDAPWQRYYPUMS-MRXNPFEDSA-N -1 3 377.492 3.971 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737954767 598498926 /nfs/dbraw/zinc/49/89/26/598498926.db2.gz RTOZTMZPUDGRQO-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737954767 598498929 /nfs/dbraw/zinc/49/89/29/598498929.db2.gz RTOZTMZPUDGRQO-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC1 ZINC000737196564 598515228 /nfs/dbraw/zinc/51/52/28/598515228.db2.gz QUEHOLMEYGIOTG-CTYIDZIISA-N -1 3 393.451 3.754 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc3onc(C(C)C)c3c2)c1-c1nnn[n-]1 ZINC000736675233 598517493 /nfs/dbraw/zinc/51/74/93/598517493.db2.gz HIWSEOMJINZDGV-UHFFFAOYSA-N -1 3 397.464 3.711 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc3onc(C(C)C)c3c2)c1-c1nn[n-]n1 ZINC000736675233 598517495 /nfs/dbraw/zinc/51/74/95/598517495.db2.gz HIWSEOMJINZDGV-UHFFFAOYSA-N -1 3 397.464 3.711 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736425197 598527101 /nfs/dbraw/zinc/52/71/01/598527101.db2.gz FNKWXGKYCPQVHF-HNAYVOBHSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736425197 598527102 /nfs/dbraw/zinc/52/71/02/598527102.db2.gz FNKWXGKYCPQVHF-HNAYVOBHSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736425198 598527247 /nfs/dbraw/zinc/52/72/47/598527247.db2.gz FNKWXGKYCPQVHF-KXBFYZLASA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736425198 598527248 /nfs/dbraw/zinc/52/72/48/598527248.db2.gz FNKWXGKYCPQVHF-KXBFYZLASA-N -1 3 378.480 3.638 20 0 GHADHM C[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736123546 598532934 /nfs/dbraw/zinc/53/29/34/598532934.db2.gz QFUDMILBHZFMCB-AWEZNQCLSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736123546 598532936 /nfs/dbraw/zinc/53/29/36/598532936.db2.gz QFUDMILBHZFMCB-AWEZNQCLSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(c1ccccc1)C1CCCC1 ZINC000736182631 598534259 /nfs/dbraw/zinc/53/42/59/598534259.db2.gz OCAQVXPYJGHEIQ-HNNXBMFYSA-N -1 3 377.448 3.610 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(c1ccccc1)C1CCCC1 ZINC000736182631 598534261 /nfs/dbraw/zinc/53/42/61/598534261.db2.gz OCAQVXPYJGHEIQ-HNNXBMFYSA-N -1 3 377.448 3.610 20 0 GHADHM Cc1ncsc1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737503170 598535142 /nfs/dbraw/zinc/53/51/42/598535142.db2.gz KPOYUIJHDPLAGH-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1ncsc1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737503170 598535144 /nfs/dbraw/zinc/53/51/44/598535144.db2.gz KPOYUIJHDPLAGH-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737347349 598541269 /nfs/dbraw/zinc/54/12/69/598541269.db2.gz NTAGJOALUVZIID-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736105428 598541834 /nfs/dbraw/zinc/54/18/34/598541834.db2.gz OUGWUWHTMVVDQW-HNNXBMFYSA-N -1 3 395.532 3.582 20 0 GHADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736105428 598541835 /nfs/dbraw/zinc/54/18/35/598541835.db2.gz OUGWUWHTMVVDQW-HNNXBMFYSA-N -1 3 395.532 3.582 20 0 GHADHM CCCCC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736441083 598543644 /nfs/dbraw/zinc/54/36/44/598543644.db2.gz MZBNAXYOXPOBEG-LJQANCHMSA-N -1 3 379.464 3.683 20 0 GHADHM CCCCC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736441083 598543645 /nfs/dbraw/zinc/54/36/45/598543645.db2.gz MZBNAXYOXPOBEG-LJQANCHMSA-N -1 3 379.464 3.683 20 0 GHADHM O=C(C=Cc1ccccc1Cl)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737801172 598547203 /nfs/dbraw/zinc/54/72/03/598547203.db2.gz MMPFTALQWYOQJK-SOFGYWHQSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(C=Cc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737801172 598547204 /nfs/dbraw/zinc/54/72/04/598547204.db2.gz MMPFTALQWYOQJK-SOFGYWHQSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000738265660 598550589 /nfs/dbraw/zinc/55/05/89/598550589.db2.gz AKVYURZYFIHNLK-MRXNPFEDSA-N -1 3 387.365 3.863 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000738265660 598550590 /nfs/dbraw/zinc/55/05/90/598550590.db2.gz AKVYURZYFIHNLK-MRXNPFEDSA-N -1 3 387.365 3.863 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nn2cc(-c3ccccc3)nc2s1 ZINC000737222045 598551174 /nfs/dbraw/zinc/55/11/74/598551174.db2.gz UAASUNMOOMRBBK-UHFFFAOYSA-N -1 3 375.417 3.739 20 0 GHADHM CCC1CCC(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736395610 598562032 /nfs/dbraw/zinc/56/20/32/598562032.db2.gz IWJYPDHGNIULSS-UHFFFAOYSA-N -1 3 380.399 3.558 20 0 GHADHM CCC1CCC(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736395610 598562034 /nfs/dbraw/zinc/56/20/34/598562034.db2.gz IWJYPDHGNIULSS-UHFFFAOYSA-N -1 3 380.399 3.558 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737451827 598562153 /nfs/dbraw/zinc/56/21/53/598562153.db2.gz CRBAOKJZBYDTKS-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737451827 598562155 /nfs/dbraw/zinc/56/21/55/598562155.db2.gz CRBAOKJZBYDTKS-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736263617 598564934 /nfs/dbraw/zinc/56/49/34/598564934.db2.gz RLWAXRWAPAMGNV-UGSOOPFHSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736263617 598564936 /nfs/dbraw/zinc/56/49/36/598564936.db2.gz RLWAXRWAPAMGNV-UGSOOPFHSA-N -1 3 378.436 3.969 20 0 GHADHM CN(Cc1ccoc1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736830269 598565774 /nfs/dbraw/zinc/56/57/74/598565774.db2.gz RTISXENUSUXXQA-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM CN(Cc1ccoc1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736830269 598565775 /nfs/dbraw/zinc/56/57/75/598565775.db2.gz RTISXENUSUXXQA-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM Oc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CC2)cc1 ZINC000738396466 598572506 /nfs/dbraw/zinc/57/25/06/598572506.db2.gz GQDYNKNFUBRRRG-UHFFFAOYSA-N -1 3 387.365 3.885 20 0 GHADHM Oc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CC2)cc1 ZINC000738396466 598572508 /nfs/dbraw/zinc/57/25/08/598572508.db2.gz GQDYNKNFUBRRRG-UHFFFAOYSA-N -1 3 387.365 3.885 20 0 GHADHM FC(F)(F)c1cc(NCc2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737631043 598577896 /nfs/dbraw/zinc/57/78/96/598577896.db2.gz CDUPFIKIJAHODQ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(NCc2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000737631043 598577898 /nfs/dbraw/zinc/57/78/98/598577898.db2.gz CDUPFIKIJAHODQ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1SC(F)(F)F ZINC000738165990 598586839 /nfs/dbraw/zinc/58/68/39/598586839.db2.gz ODIRSLNBLKOESJ-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1SC(F)(F)F ZINC000738165990 598586841 /nfs/dbraw/zinc/58/68/41/598586841.db2.gz ODIRSLNBLKOESJ-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000738408572 598608391 /nfs/dbraw/zinc/60/83/91/598608391.db2.gz MYSIBQHFNLBEMA-AEFFLSMTSA-N -1 3 392.532 3.955 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000738408572 598608393 /nfs/dbraw/zinc/60/83/93/598608393.db2.gz MYSIBQHFNLBEMA-AEFFLSMTSA-N -1 3 392.532 3.955 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737075159 598619152 /nfs/dbraw/zinc/61/91/52/598619152.db2.gz LABAILGFUIRPSE-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737075159 598619154 /nfs/dbraw/zinc/61/91/54/598619154.db2.gz LABAILGFUIRPSE-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM Cc1c(N)cccc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737217945 598621693 /nfs/dbraw/zinc/62/16/93/598621693.db2.gz HZNNEAWLTALXOE-UHFFFAOYSA-N -1 3 385.427 3.781 20 0 GHADHM Cc1c(N)cccc1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737217945 598621695 /nfs/dbraw/zinc/62/16/95/598621695.db2.gz HZNNEAWLTALXOE-UHFFFAOYSA-N -1 3 385.427 3.781 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000738163655 598624880 /nfs/dbraw/zinc/62/48/80/598624880.db2.gz RZNHOJVYYRHNNM-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000738163655 598624881 /nfs/dbraw/zinc/62/48/81/598624881.db2.gz RZNHOJVYYRHNNM-INIZCTEOSA-N -1 3 380.427 3.635 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736458213 598626427 /nfs/dbraw/zinc/62/64/27/598626427.db2.gz XLMIYACXCMNMIR-UHFFFAOYSA-N -1 3 386.406 3.979 20 0 GHADHM CCCCN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736458213 598626429 /nfs/dbraw/zinc/62/64/29/598626429.db2.gz XLMIYACXCMNMIR-UHFFFAOYSA-N -1 3 386.406 3.979 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736559053 598634100 /nfs/dbraw/zinc/63/41/00/598634100.db2.gz TZXWHDLIDPNEIL-UHFFFAOYSA-N -1 3 380.836 3.775 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736559053 598634102 /nfs/dbraw/zinc/63/41/02/598634102.db2.gz TZXWHDLIDPNEIL-UHFFFAOYSA-N -1 3 380.836 3.775 20 0 GHADHM C[C@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736300573 598643030 /nfs/dbraw/zinc/64/30/30/598643030.db2.gz YUKHZXLMUXELJL-QFYYESIMSA-N -1 3 384.896 3.740 20 0 GHADHM C[C@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736300573 598643031 /nfs/dbraw/zinc/64/30/31/598643031.db2.gz YUKHZXLMUXELJL-QFYYESIMSA-N -1 3 384.896 3.740 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1nc2ccccc2s1 ZINC000737840957 598645713 /nfs/dbraw/zinc/64/57/13/598645713.db2.gz GLRBHCKHHUOTCL-UHFFFAOYSA-N -1 3 394.460 3.664 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1nc2ccccc2s1 ZINC000737840957 598645714 /nfs/dbraw/zinc/64/57/14/598645714.db2.gz GLRBHCKHHUOTCL-UHFFFAOYSA-N -1 3 394.460 3.664 20 0 GHADHM Cc1cccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1C ZINC000737400310 598646864 /nfs/dbraw/zinc/64/68/64/598646864.db2.gz SYPQREYDHGZMMT-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM Cc1cccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1C ZINC000737400310 598646865 /nfs/dbraw/zinc/64/68/65/598646865.db2.gz SYPQREYDHGZMMT-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1F ZINC000737831564 598647465 /nfs/dbraw/zinc/64/74/65/598647465.db2.gz ATHNFBKOMKLECM-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1F ZINC000737831564 598647467 /nfs/dbraw/zinc/64/74/67/598647467.db2.gz ATHNFBKOMKLECM-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737023111 598649088 /nfs/dbraw/zinc/64/90/88/598649088.db2.gz BBUAIMJNELMVIO-ZDUSSCGKSA-N -1 3 392.337 3.517 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000737023111 598649090 /nfs/dbraw/zinc/64/90/90/598649090.db2.gz BBUAIMJNELMVIO-ZDUSSCGKSA-N -1 3 392.337 3.517 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738144800 598649268 /nfs/dbraw/zinc/64/92/68/598649268.db2.gz NOVAPNYJHGQQED-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738144800 598649269 /nfs/dbraw/zinc/64/92/69/598649269.db2.gz NOVAPNYJHGQQED-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736244290 598649720 /nfs/dbraw/zinc/64/97/20/598649720.db2.gz GFKUDTCTHGFMQC-KBPBESRZSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736244290 598649722 /nfs/dbraw/zinc/64/97/22/598649722.db2.gz GFKUDTCTHGFMQC-KBPBESRZSA-N -1 3 392.463 3.609 20 0 GHADHM CC(C)[C@@H](C)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000735701738 598651120 /nfs/dbraw/zinc/65/11/20/598651120.db2.gz KWQZAWSMFZVMIO-CQSZACIVSA-N -1 3 392.463 3.703 20 0 GHADHM CC(C)[C@@H](C)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000735701738 598651121 /nfs/dbraw/zinc/65/11/21/598651121.db2.gz KWQZAWSMFZVMIO-CQSZACIVSA-N -1 3 392.463 3.703 20 0 GHADHM CCOCCOCc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736625638 598651452 /nfs/dbraw/zinc/65/14/52/598651452.db2.gz JOWLTQWKKZFTLD-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CCOCCOCc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736625638 598651453 /nfs/dbraw/zinc/65/14/53/598651453.db2.gz JOWLTQWKKZFTLD-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736411846 598653199 /nfs/dbraw/zinc/65/31/99/598653199.db2.gz PRQAXFJCWJJTJH-HNNXBMFYSA-N -1 3 385.518 3.556 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736411846 598653201 /nfs/dbraw/zinc/65/32/01/598653201.db2.gz PRQAXFJCWJJTJH-HNNXBMFYSA-N -1 3 385.518 3.556 20 0 GHADHM Fc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c(F)c1 ZINC000737656840 598653314 /nfs/dbraw/zinc/65/33/14/598653314.db2.gz PPJGDHWSELEHKY-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM Fc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c(F)c1 ZINC000737656840 598653316 /nfs/dbraw/zinc/65/33/16/598653316.db2.gz PPJGDHWSELEHKY-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cccc2ncccc21 ZINC000737841526 598654173 /nfs/dbraw/zinc/65/41/73/598654173.db2.gz KODIXMUKCNKIFV-UHFFFAOYSA-N -1 3 389.415 3.570 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cccc2ncccc21 ZINC000737841526 598654174 /nfs/dbraw/zinc/65/41/74/598654174.db2.gz KODIXMUKCNKIFV-UHFFFAOYSA-N -1 3 389.415 3.570 20 0 GHADHM Cc1cc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)ccc1F ZINC000737274628 598660201 /nfs/dbraw/zinc/66/02/01/598660201.db2.gz PLQQHHFSHHYCSM-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)ccc1F ZINC000737274628 598660203 /nfs/dbraw/zinc/66/02/03/598660203.db2.gz PLQQHHFSHHYCSM-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1Cl ZINC000737314730 598660531 /nfs/dbraw/zinc/66/05/31/598660531.db2.gz GSBLNHYVAIQLHZ-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1Cl ZINC000737314730 598660533 /nfs/dbraw/zinc/66/05/33/598660533.db2.gz GSBLNHYVAIQLHZ-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccn1 ZINC000736121971 598662539 /nfs/dbraw/zinc/66/25/39/598662539.db2.gz GVFFXXOCZLBDEU-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000736121971 598662541 /nfs/dbraw/zinc/66/25/41/598662541.db2.gz GVFFXXOCZLBDEU-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389675 598666500 /nfs/dbraw/zinc/66/65/00/598666500.db2.gz NDNKAMZQUPULSM-GOSISDBHSA-N -1 3 379.489 3.631 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389675 598666501 /nfs/dbraw/zinc/66/65/01/598666501.db2.gz NDNKAMZQUPULSM-GOSISDBHSA-N -1 3 379.489 3.631 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CCc1ccccc1 ZINC000737943664 598667045 /nfs/dbraw/zinc/66/70/45/598667045.db2.gz UGAQKPIRXZSZPX-SFHVURJKSA-N -1 3 393.516 3.583 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCc1ccccc1 ZINC000737943664 598667047 /nfs/dbraw/zinc/66/70/47/598667047.db2.gz UGAQKPIRXZSZPX-SFHVURJKSA-N -1 3 393.516 3.583 20 0 GHADHM CCCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736470547 598667718 /nfs/dbraw/zinc/66/77/18/598667718.db2.gz ROQWPRDSTILOCD-ZDUSSCGKSA-N -1 3 385.855 3.731 20 0 GHADHM CCCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736470547 598667719 /nfs/dbraw/zinc/66/77/19/598667719.db2.gz ROQWPRDSTILOCD-ZDUSSCGKSA-N -1 3 385.855 3.731 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738383025 598668911 /nfs/dbraw/zinc/66/89/11/598668911.db2.gz MYLOHUCKHZATMA-AWEZNQCLSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738383025 598668913 /nfs/dbraw/zinc/66/89/13/598668913.db2.gz MYLOHUCKHZATMA-AWEZNQCLSA-N -1 3 399.760 3.564 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000737245313 598677410 /nfs/dbraw/zinc/67/74/10/598677410.db2.gz NDXMRIXTMJFEOC-UHFFFAOYSA-N -1 3 391.454 3.883 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000737245313 598677412 /nfs/dbraw/zinc/67/74/12/598677412.db2.gz NDXMRIXTMJFEOC-UHFFFAOYSA-N -1 3 391.454 3.883 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000738384583 598679195 /nfs/dbraw/zinc/67/91/95/598679195.db2.gz UGVSCFYOTWJPPV-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000738384583 598679197 /nfs/dbraw/zinc/67/91/97/598679197.db2.gz UGVSCFYOTWJPPV-CQSZACIVSA-N -1 3 384.654 3.972 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1 ZINC000737833110 598684255 /nfs/dbraw/zinc/68/42/55/598684255.db2.gz OVBDQWONRFPTHG-FQEVSTJZSA-N -1 3 391.475 3.780 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1 ZINC000737833110 598684257 /nfs/dbraw/zinc/68/42/57/598684257.db2.gz OVBDQWONRFPTHG-FQEVSTJZSA-N -1 3 391.475 3.780 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc2)n1 ZINC000737451379 598690408 /nfs/dbraw/zinc/69/04/08/598690408.db2.gz BWOCEAXJCZEKAW-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc2)n1 ZINC000737451379 598690410 /nfs/dbraw/zinc/69/04/10/598690410.db2.gz BWOCEAXJCZEKAW-UHFFFAOYSA-N -1 3 383.462 3.689 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737142640 598693366 /nfs/dbraw/zinc/69/33/66/598693366.db2.gz LMIOKMRITMWJHR-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737142640 598693367 /nfs/dbraw/zinc/69/33/67/598693367.db2.gz LMIOKMRITMWJHR-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000737936388 598698474 /nfs/dbraw/zinc/69/84/74/598698474.db2.gz OEAWOGFINYUCAJ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(F)c(Cl)c1 ZINC000737936388 598698475 /nfs/dbraw/zinc/69/84/75/598698475.db2.gz OEAWOGFINYUCAJ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM CCn1ccnc1CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000736723378 598703758 /nfs/dbraw/zinc/70/37/58/598703758.db2.gz TYDGKXYMJOPGHO-UHFFFAOYSA-N -1 3 391.454 3.737 20 0 GHADHM CCn1ccnc1CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000736723378 598703760 /nfs/dbraw/zinc/70/37/60/598703760.db2.gz TYDGKXYMJOPGHO-UHFFFAOYSA-N -1 3 391.454 3.737 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)cn1 ZINC000737444734 598703918 /nfs/dbraw/zinc/70/39/18/598703918.db2.gz AANYIWVKZFCKDR-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)cn1 ZINC000737444734 598703919 /nfs/dbraw/zinc/70/39/19/598703919.db2.gz AANYIWVKZFCKDR-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)nc2ccccc21 ZINC000738232881 598705487 /nfs/dbraw/zinc/70/54/87/598705487.db2.gz WPKSDLPDAQHBKU-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)nc2ccccc21 ZINC000738232881 598705489 /nfs/dbraw/zinc/70/54/89/598705489.db2.gz WPKSDLPDAQHBKU-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc(-c2ccccc2F)n1 ZINC000738235439 598710415 /nfs/dbraw/zinc/71/04/15/598710415.db2.gz MFEXAFNCYXDGIP-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc(-c2ccccc2F)n1 ZINC000738235439 598710417 /nfs/dbraw/zinc/71/04/17/598710417.db2.gz MFEXAFNCYXDGIP-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cccc2ccccc21 ZINC000737946862 598716009 /nfs/dbraw/zinc/71/60/09/598716009.db2.gz HDBALIJQWMPQNM-UHFFFAOYSA-N -1 3 376.441 3.855 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cccc2ccccc21 ZINC000737946862 598716011 /nfs/dbraw/zinc/71/60/11/598716011.db2.gz HDBALIJQWMPQNM-UHFFFAOYSA-N -1 3 376.441 3.855 20 0 GHADHM Cc1ccc(-c2nc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)co2)cc1 ZINC000737287123 598722365 /nfs/dbraw/zinc/72/23/65/598722365.db2.gz CVIUGKOXXRDHCW-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM Cc1ccc(-c2nc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)co2)cc1 ZINC000737287123 598722367 /nfs/dbraw/zinc/72/23/67/598722367.db2.gz CVIUGKOXXRDHCW-UHFFFAOYSA-N -1 3 383.415 3.742 20 0 GHADHM CSc1ccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737191151 598726296 /nfs/dbraw/zinc/72/62/96/598726296.db2.gz RAWPDKBNGVKYIR-UHFFFAOYSA-N -1 3 398.488 3.881 20 0 GHADHM CSc1ccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737191151 598726298 /nfs/dbraw/zinc/72/62/98/598726298.db2.gz RAWPDKBNGVKYIR-UHFFFAOYSA-N -1 3 398.488 3.881 20 0 GHADHM CCCN(Cc1csc(-c2ccccn2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736482186 598727816 /nfs/dbraw/zinc/72/78/16/598727816.db2.gz WYGBRJNONGJQRB-UHFFFAOYSA-N -1 3 391.504 3.797 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738161629 598731365 /nfs/dbraw/zinc/73/13/65/598731365.db2.gz HCRGKJWTMGBFQR-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738161629 598731366 /nfs/dbraw/zinc/73/13/66/598731366.db2.gz HCRGKJWTMGBFQR-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000737025117 598741853 /nfs/dbraw/zinc/74/18/53/598741853.db2.gz LTTCEWOLAHOZNL-GFCCVEGCSA-N -1 3 398.850 3.629 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000737025117 598741854 /nfs/dbraw/zinc/74/18/54/598741854.db2.gz LTTCEWOLAHOZNL-GFCCVEGCSA-N -1 3 398.850 3.629 20 0 GHADHM c1cc(COc2ccc(Nc3ccnc(C4CC4)n3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738413449 598788228 /nfs/dbraw/zinc/78/82/28/598788228.db2.gz QZHSITCEUXKXBR-UHFFFAOYSA-N -1 3 385.431 3.857 20 0 GHADHM c1cc(COc2ccc(Nc3ccnc(C4CC4)n3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738413449 598788231 /nfs/dbraw/zinc/78/82/31/598788231.db2.gz QZHSITCEUXKXBR-UHFFFAOYSA-N -1 3 385.431 3.857 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735679800 598789724 /nfs/dbraw/zinc/78/97/24/598789724.db2.gz NWZKZCCALMNNEG-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735679800 598789726 /nfs/dbraw/zinc/78/97/26/598789726.db2.gz NWZKZCCALMNNEG-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1CCSCC1 ZINC000738210403 598792032 /nfs/dbraw/zinc/79/20/32/598792032.db2.gz PFPXHMXUFPSKKE-UHFFFAOYSA-N -1 3 377.539 3.669 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1CCSCC1 ZINC000738210403 598792033 /nfs/dbraw/zinc/79/20/33/598792033.db2.gz PFPXHMXUFPSKKE-UHFFFAOYSA-N -1 3 377.539 3.669 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000738383766 598795542 /nfs/dbraw/zinc/79/55/42/598795542.db2.gz QDSUZNZLGSBLND-CQSZACIVSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000738383766 598795544 /nfs/dbraw/zinc/79/55/44/598795544.db2.gz QDSUZNZLGSBLND-CQSZACIVSA-N -1 3 399.760 3.564 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000738303935 598795588 /nfs/dbraw/zinc/79/55/88/598795588.db2.gz UPUNWKTYRMQJAO-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000738303935 598795590 /nfs/dbraw/zinc/79/55/90/598795590.db2.gz UPUNWKTYRMQJAO-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113310 598797729 /nfs/dbraw/zinc/79/77/29/598797729.db2.gz NAVZQPBKIPEWHC-KZULUSFZSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113310 598797730 /nfs/dbraw/zinc/79/77/30/598797730.db2.gz NAVZQPBKIPEWHC-KZULUSFZSA-N -1 3 398.417 3.753 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112806 598799485 /nfs/dbraw/zinc/79/94/85/598799485.db2.gz VCFWBXXIKCKHJO-DNVCBOLYSA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112806 598799486 /nfs/dbraw/zinc/79/94/86/598799486.db2.gz VCFWBXXIKCKHJO-DNVCBOLYSA-N -1 3 378.480 3.966 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736176540 598802565 /nfs/dbraw/zinc/80/25/65/598802565.db2.gz SYVIXJJLQLATQX-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736176540 598802566 /nfs/dbraw/zinc/80/25/66/598802566.db2.gz SYVIXJJLQLATQX-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000735960244 598803681 /nfs/dbraw/zinc/80/36/81/598803681.db2.gz FPXVASWBPKMOHQ-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM O=C(CCCc1ccccn1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737836433 598804331 /nfs/dbraw/zinc/80/43/31/598804331.db2.gz PNPURMVRCUHDIW-UHFFFAOYSA-N -1 3 398.470 3.818 20 0 GHADHM O=C(CCCc1ccccn1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737836433 598804333 /nfs/dbraw/zinc/80/43/33/598804333.db2.gz PNPURMVRCUHDIW-UHFFFAOYSA-N -1 3 398.470 3.818 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738163979 598807921 /nfs/dbraw/zinc/80/79/21/598807921.db2.gz SUYYSJHXMLRPFW-UHFFFAOYSA-N -1 3 382.786 3.702 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738163979 598807923 /nfs/dbraw/zinc/80/79/23/598807923.db2.gz SUYYSJHXMLRPFW-UHFFFAOYSA-N -1 3 382.786 3.702 20 0 GHADHM O=C(CCCC1CCCCC1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737827285 598809141 /nfs/dbraw/zinc/80/91/41/598809141.db2.gz YNTIOBDJTCTCNV-UHFFFAOYSA-N -1 3 379.468 3.742 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@H]1C1CCC1 ZINC000823303827 599293075 /nfs/dbraw/zinc/29/30/75/599293075.db2.gz WRBKUVXGVXJWCU-AWEZNQCLSA-N -1 3 380.374 3.682 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@H]1C1CCC1 ZINC000823303827 599293078 /nfs/dbraw/zinc/29/30/78/599293078.db2.gz WRBKUVXGVXJWCU-AWEZNQCLSA-N -1 3 380.374 3.682 20 0 GHADHM C[C@H]1SCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736301201 599303192 /nfs/dbraw/zinc/30/31/92/599303192.db2.gz MNLNJOIGQWOJQY-FOIQADDNSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@H]1SCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000736301201 599303194 /nfs/dbraw/zinc/30/31/94/599303194.db2.gz MNLNJOIGQWOJQY-FOIQADDNSA-N -1 3 393.516 3.505 20 0 GHADHM Cc1cc(Oc2cccnc2Cl)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737281437 599305340 /nfs/dbraw/zinc/30/53/40/599305340.db2.gz YTJXKPNPUTUFBO-UHFFFAOYSA-N -1 3 377.795 3.817 20 0 GHADHM Cc1cc(Oc2cccnc2Cl)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737281437 599305343 /nfs/dbraw/zinc/30/53/43/599305343.db2.gz YTJXKPNPUTUFBO-UHFFFAOYSA-N -1 3 377.795 3.817 20 0 GHADHM COCc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)sc2cccc(F)c21 ZINC000737017718 599305752 /nfs/dbraw/zinc/30/57/52/599305752.db2.gz ZQFOMLWLUOCZLP-UHFFFAOYSA-N -1 3 397.435 3.644 20 0 GHADHM COCc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)sc2cccc(F)c21 ZINC000737017718 599305755 /nfs/dbraw/zinc/30/57/55/599305755.db2.gz ZQFOMLWLUOCZLP-UHFFFAOYSA-N -1 3 397.435 3.644 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1cc(-c2ccccc2)on1 ZINC000821752952 607367937 /nfs/dbraw/zinc/36/79/37/607367937.db2.gz XAKFJBDXXXVHDQ-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM Cc1cnc([C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)s1 ZINC000737446212 599321450 /nfs/dbraw/zinc/32/14/50/599321450.db2.gz NODUWXSKMONHRR-NSHDSACASA-N -1 3 381.387 3.609 20 0 GHADHM Cc1cnc([C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)s1 ZINC000737446212 599321453 /nfs/dbraw/zinc/32/14/53/599321453.db2.gz NODUWXSKMONHRR-NSHDSACASA-N -1 3 381.387 3.609 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735838575 599327409 /nfs/dbraw/zinc/32/74/09/599327409.db2.gz GRFLHTCDHDFXGZ-UHFFFAOYSA-N -1 3 396.451 3.562 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735838575 599327412 /nfs/dbraw/zinc/32/74/12/599327412.db2.gz GRFLHTCDHDFXGZ-UHFFFAOYSA-N -1 3 396.451 3.562 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736188602 599330219 /nfs/dbraw/zinc/33/02/19/599330219.db2.gz LPCRYBAAOGFJJS-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c(F)cccc1F ZINC000736188602 599330223 /nfs/dbraw/zinc/33/02/23/599330223.db2.gz LPCRYBAAOGFJJS-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000736188547 599330492 /nfs/dbraw/zinc/33/04/92/599330492.db2.gz KZNWCRFGCURWGE-GJZGRUSLSA-N -1 3 381.505 3.708 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000736188547 599330494 /nfs/dbraw/zinc/33/04/94/599330494.db2.gz KZNWCRFGCURWGE-GJZGRUSLSA-N -1 3 381.505 3.708 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554980 599344784 /nfs/dbraw/zinc/34/47/84/599344784.db2.gz CNOVXDFZMYVSQQ-CQSZACIVSA-N -1 3 394.504 3.586 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000820554980 599344787 /nfs/dbraw/zinc/34/47/87/599344787.db2.gz CNOVXDFZMYVSQQ-CQSZACIVSA-N -1 3 394.504 3.586 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@@H](Sc3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000822239973 599345225 /nfs/dbraw/zinc/34/52/25/599345225.db2.gz MYDLABYXRXEIJG-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@@H](Sc3ccccc3-c3nn[n-]n3)C2=O)c1 ZINC000822239973 599345227 /nfs/dbraw/zinc/34/52/27/599345227.db2.gz MYDLABYXRXEIJG-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM CCN(C(=O)CSc1ccccc1-c1nnn[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000821155333 599347002 /nfs/dbraw/zinc/34/70/02/599347002.db2.gz YHJNATVFTDOXEB-CYBMUJFWSA-N -1 3 385.468 3.708 20 0 GHADHM CCN(C(=O)CSc1ccccc1-c1nn[n-]n1)[C@H](C)c1ccc(F)cc1 ZINC000821155333 599347005 /nfs/dbraw/zinc/34/70/05/599347005.db2.gz YHJNATVFTDOXEB-CYBMUJFWSA-N -1 3 385.468 3.708 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820555031 599349591 /nfs/dbraw/zinc/34/95/91/599349591.db2.gz DZBASIHHAYXGDX-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820555031 599349593 /nfs/dbraw/zinc/34/95/93/599349593.db2.gz DZBASIHHAYXGDX-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM CN(C)c1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c2ccccc2n1 ZINC000821588094 599360576 /nfs/dbraw/zinc/36/05/76/599360576.db2.gz AOHWZEVLVAVNRH-UHFFFAOYSA-N -1 3 396.458 3.641 20 0 GHADHM CN(C)c1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c2ccccc2n1 ZINC000821588094 599360579 /nfs/dbraw/zinc/36/05/79/599360579.db2.gz AOHWZEVLVAVNRH-UHFFFAOYSA-N -1 3 396.458 3.641 20 0 GHADHM CCC[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)OCC ZINC000821020289 599371638 /nfs/dbraw/zinc/37/16/38/599371638.db2.gz AJYMAZPLLKYBDP-KRWDZBQOSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)OCC ZINC000821020289 599371641 /nfs/dbraw/zinc/37/16/41/599371641.db2.gz AJYMAZPLLKYBDP-KRWDZBQOSA-N -1 3 381.436 3.803 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000821517165 599372006 /nfs/dbraw/zinc/37/20/06/599372006.db2.gz GSLFXWNHEGHNCR-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1cccc2c1N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000736695901 599374394 /nfs/dbraw/zinc/37/43/94/599374394.db2.gz SNYNNSCIKATGHP-UHFFFAOYSA-N -1 3 379.489 3.501 20 0 GHADHM CCc1cccc2c1N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000736695901 599374396 /nfs/dbraw/zinc/37/43/96/599374396.db2.gz SNYNNSCIKATGHP-UHFFFAOYSA-N -1 3 379.489 3.501 20 0 GHADHM Cc1nc(SCC(=O)N[C@H](C)CCC(C)(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737484715 599381397 /nfs/dbraw/zinc/38/13/97/599381397.db2.gz WMERJPJEIHPLGB-LLVKDONJSA-N -1 3 390.557 3.610 20 0 GHADHM Cc1nc(SCC(=O)N[C@H](C)CCC(C)(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737484715 599381401 /nfs/dbraw/zinc/38/14/01/599381401.db2.gz WMERJPJEIHPLGB-LLVKDONJSA-N -1 3 390.557 3.610 20 0 GHADHM Cc1cc(-c2noc([C@H](C)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822154806 599390443 /nfs/dbraw/zinc/39/04/43/599390443.db2.gz ZUTVFUOEOUPBHT-STQMWFEESA-N -1 3 393.426 3.776 20 0 GHADHM Cc1cc(-c2noc([C@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822154806 599390446 /nfs/dbraw/zinc/39/04/46/599390446.db2.gz ZUTVFUOEOUPBHT-STQMWFEESA-N -1 3 393.426 3.776 20 0 GHADHM CSC[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737175466 599390965 /nfs/dbraw/zinc/39/09/65/599390965.db2.gz DNBCWOFYWRQSIB-ZDUSSCGKSA-N -1 3 399.545 3.640 20 0 GHADHM CSC[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737175466 599390968 /nfs/dbraw/zinc/39/09/68/599390968.db2.gz DNBCWOFYWRQSIB-ZDUSSCGKSA-N -1 3 399.545 3.640 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820178722 599408410 /nfs/dbraw/zinc/40/84/10/599408410.db2.gz ZDHKTNDIAWXUNN-HUUCEWRRSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820178722 599408414 /nfs/dbraw/zinc/40/84/14/599408414.db2.gz ZDHKTNDIAWXUNN-HUUCEWRRSA-N -1 3 394.479 3.775 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299532 599411014 /nfs/dbraw/zinc/41/10/14/599411014.db2.gz LWQNPWSFDCUSMF-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299532 599411018 /nfs/dbraw/zinc/41/10/18/599411018.db2.gz LWQNPWSFDCUSMF-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358844 599422194 /nfs/dbraw/zinc/42/21/94/599422194.db2.gz PLLIUKDSOFACIM-CWFSZBLJSA-N -1 3 390.491 3.953 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358844 599422197 /nfs/dbraw/zinc/42/21/97/599422197.db2.gz PLLIUKDSOFACIM-CWFSZBLJSA-N -1 3 390.491 3.953 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1ncnc2sc(C)c(C)c21 ZINC000821752353 607376193 /nfs/dbraw/zinc/37/61/93/607376193.db2.gz LNVDISXCDAXZMW-UHFFFAOYSA-N -1 3 384.490 3.789 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncnc2sc(C)c(C)c21 ZINC000821752353 607376195 /nfs/dbraw/zinc/37/61/95/607376195.db2.gz LNVDISXCDAXZMW-UHFFFAOYSA-N -1 3 384.490 3.789 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820358617 599433098 /nfs/dbraw/zinc/43/30/98/599433098.db2.gz OFPRCYXLNVSPBW-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820358617 599433102 /nfs/dbraw/zinc/43/31/02/599433102.db2.gz OFPRCYXLNVSPBW-ZDUSSCGKSA-N -1 3 398.898 3.858 20 0 GHADHM CCOc1cc(CCCNc2c(F)cc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000736624600 599442269 /nfs/dbraw/zinc/44/22/69/599442269.db2.gz FKAZKOLNMCGWKZ-UHFFFAOYSA-N -1 3 389.406 3.597 20 0 GHADHM CCOc1cc(CCCNc2c(F)cc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000736624600 599442272 /nfs/dbraw/zinc/44/22/72/599442272.db2.gz FKAZKOLNMCGWKZ-UHFFFAOYSA-N -1 3 389.406 3.597 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000821104650 599447920 /nfs/dbraw/zinc/44/79/20/599447920.db2.gz LNSHQYLUAQJQKQ-RBUKOAKNSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000821104650 599447921 /nfs/dbraw/zinc/44/79/21/599447921.db2.gz LNSHQYLUAQJQKQ-RBUKOAKNSA-N -1 3 382.512 3.757 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736113973 599453095 /nfs/dbraw/zinc/45/30/95/599453095.db2.gz TXIIMALDCDEJOH-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736113973 599453097 /nfs/dbraw/zinc/45/30/97/599453097.db2.gz TXIIMALDCDEJOH-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM COc1ccc(CNc2ccc(OC3CCCC3)c(F)c2)cc1-c1nnn[n-]1 ZINC000821821829 599454451 /nfs/dbraw/zinc/45/44/51/599454451.db2.gz ZBVNDKLDIVINEE-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM COc1ccc(CNc2ccc(OC3CCCC3)c(F)c2)cc1-c1nn[n-]n1 ZINC000821821829 599454453 /nfs/dbraw/zinc/45/44/53/599454453.db2.gz ZBVNDKLDIVINEE-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM CCCC1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1 ZINC000821040680 599460428 /nfs/dbraw/zinc/46/04/28/599460428.db2.gz PFFUYHUHUAJTAA-UHFFFAOYSA-N -1 3 384.528 3.599 20 0 GHADHM CCCC1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1 ZINC000821040680 599460430 /nfs/dbraw/zinc/46/04/30/599460430.db2.gz PFFUYHUHUAJTAA-UHFFFAOYSA-N -1 3 384.528 3.599 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000822299542 599461459 /nfs/dbraw/zinc/46/14/59/599461459.db2.gz MCQVIFWSWADYDP-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000822299542 599461460 /nfs/dbraw/zinc/46/14/60/599461460.db2.gz MCQVIFWSWADYDP-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822351225 599472314 /nfs/dbraw/zinc/47/23/14/599472314.db2.gz MDJBBXXVETXNJO-INIZCTEOSA-N -1 3 390.491 3.825 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822351225 599472316 /nfs/dbraw/zinc/47/23/16/599472316.db2.gz MDJBBXXVETXNJO-INIZCTEOSA-N -1 3 390.491 3.825 20 0 GHADHM Fc1ccc(NCc2ccnc(OCc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000822782859 599479218 /nfs/dbraw/zinc/47/92/18/599479218.db2.gz JSGBLZWYPWJTFW-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2ccnc(OCc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000822782859 599479219 /nfs/dbraw/zinc/47/92/19/599479219.db2.gz JSGBLZWYPWJTFW-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109279 599484097 /nfs/dbraw/zinc/48/40/97/599484097.db2.gz FPOKPUKZPVWCHT-AWEZNQCLSA-N -1 3 382.443 3.689 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109279 599484099 /nfs/dbraw/zinc/48/40/99/599484099.db2.gz FPOKPUKZPVWCHT-AWEZNQCLSA-N -1 3 382.443 3.689 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820341816 599484807 /nfs/dbraw/zinc/48/48/07/599484807.db2.gz RTNGCJDZJUWDHN-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820341816 599484810 /nfs/dbraw/zinc/48/48/10/599484810.db2.gz RTNGCJDZJUWDHN-KGLIPLIRSA-N -1 3 398.898 3.854 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3c(Cl)cccc3-c3nnn[n-]3)C2)cc1F ZINC000822779251 599498674 /nfs/dbraw/zinc/49/86/74/599498674.db2.gz SFWDTTPLYMFGKW-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3c(Cl)cccc3-c3nn[n-]n3)C2)cc1F ZINC000822779251 599498677 /nfs/dbraw/zinc/49/86/77/599498677.db2.gz SFWDTTPLYMFGKW-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM CSCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737180665 599502041 /nfs/dbraw/zinc/50/20/41/599502041.db2.gz BCADXVOJPMXUTB-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM CSCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737180665 599502043 /nfs/dbraw/zinc/50/20/43/599502043.db2.gz BCADXVOJPMXUTB-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM O=C(NCCCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000738054006 599502799 /nfs/dbraw/zinc/50/27/99/599502799.db2.gz AIAYBXCRSLPLRN-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM O=C(NCCCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000738054006 599502800 /nfs/dbraw/zinc/50/28/00/599502800.db2.gz AIAYBXCRSLPLRN-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737175792 599504943 /nfs/dbraw/zinc/50/49/43/599504943.db2.gz HMPOAQKHGJHIAG-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737175792 599504944 /nfs/dbraw/zinc/50/49/44/599504944.db2.gz HMPOAQKHGJHIAG-LBPRGKRZSA-N -1 3 384.465 3.532 20 0 GHADHM CSCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737182936 599504946 /nfs/dbraw/zinc/50/49/46/599504946.db2.gz SATYNCPQEHBAOV-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM CSCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737182936 599504947 /nfs/dbraw/zinc/50/49/47/599504947.db2.gz SATYNCPQEHBAOV-UHFFFAOYSA-N -1 3 384.465 3.534 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N[C@H]1CC=CCC1 ZINC000738186433 599505246 /nfs/dbraw/zinc/50/52/46/599505246.db2.gz ZCSQBDXSKMPKGY-HNNXBMFYSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N[C@H]1CC=CCC1 ZINC000738186433 599505250 /nfs/dbraw/zinc/50/52/50/599505250.db2.gz ZCSQBDXSKMPKGY-HNNXBMFYSA-N -1 3 376.420 3.889 20 0 GHADHM C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321029 599520774 /nfs/dbraw/zinc/52/07/74/599520774.db2.gz BIINXLYNCOFHAC-MLGOLLRUSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321029 599520777 /nfs/dbraw/zinc/52/07/77/599520777.db2.gz BIINXLYNCOFHAC-MLGOLLRUSA-N -1 3 389.381 3.780 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822422771 599525502 /nfs/dbraw/zinc/52/55/02/599525502.db2.gz CLWQPUHYUCZFIO-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822422771 599525503 /nfs/dbraw/zinc/52/55/03/599525503.db2.gz CLWQPUHYUCZFIO-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322460 599526395 /nfs/dbraw/zinc/52/63/95/599526395.db2.gz SVKFHGMBUBCTDF-JLVNDZCYSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@@H](NC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322460 599526397 /nfs/dbraw/zinc/52/63/97/599526397.db2.gz SVKFHGMBUBCTDF-JLVNDZCYSA-N -1 3 382.493 3.511 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397865 599528706 /nfs/dbraw/zinc/52/87/06/599528706.db2.gz VPSPMFXMNGIOPD-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397865 599528710 /nfs/dbraw/zinc/52/87/10/599528710.db2.gz VPSPMFXMNGIOPD-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821077601 599532575 /nfs/dbraw/zinc/53/25/75/599532575.db2.gz NBJYTKJQTPXXKI-CQSZACIVSA-N -1 3 395.463 3.545 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821077601 599532577 /nfs/dbraw/zinc/53/25/77/599532577.db2.gz NBJYTKJQTPXXKI-CQSZACIVSA-N -1 3 395.463 3.545 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000119184046 599538516 /nfs/dbraw/zinc/53/85/16/599538516.db2.gz VEDOULDGJJHZDW-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000119184046 599538517 /nfs/dbraw/zinc/53/85/17/599538517.db2.gz VEDOULDGJJHZDW-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC/C=C/c1ccccc1 ZINC000737024348 599540426 /nfs/dbraw/zinc/54/04/26/599540426.db2.gz GRRZMQGTOFFTAJ-WEVVVXLNSA-N -1 3 384.823 3.928 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC/C=C/c1ccccc1 ZINC000737024348 599540427 /nfs/dbraw/zinc/54/04/27/599540427.db2.gz GRRZMQGTOFFTAJ-WEVVVXLNSA-N -1 3 384.823 3.928 20 0 GHADHM C[C@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321974 599540736 /nfs/dbraw/zinc/54/07/36/599540736.db2.gz OYVZGJZMHGNLSG-AWEZNQCLSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321974 599540737 /nfs/dbraw/zinc/54/07/37/599540737.db2.gz OYVZGJZMHGNLSG-AWEZNQCLSA-N -1 3 379.439 3.695 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501182 599542291 /nfs/dbraw/zinc/54/22/91/599542291.db2.gz AEYJAVQFPRPDDR-LSDHHAIUSA-N -1 3 381.455 3.794 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501182 599542294 /nfs/dbraw/zinc/54/22/94/599542294.db2.gz AEYJAVQFPRPDDR-LSDHHAIUSA-N -1 3 381.455 3.794 20 0 GHADHM C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335190 599544450 /nfs/dbraw/zinc/54/44/50/599544450.db2.gz VMYICKZHCLFHAJ-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335190 599544452 /nfs/dbraw/zinc/54/44/52/599544452.db2.gz VMYICKZHCLFHAJ-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820684548 599548012 /nfs/dbraw/zinc/54/80/12/599548012.db2.gz RBQWRVOLSGQRLL-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820684548 599548014 /nfs/dbraw/zinc/54/80/14/599548014.db2.gz RBQWRVOLSGQRLL-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820708955 599549874 /nfs/dbraw/zinc/54/98/74/599549874.db2.gz ARVIOGXWCVQYJG-QWHCGFSZSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820708955 599549876 /nfs/dbraw/zinc/54/98/76/599549876.db2.gz ARVIOGXWCVQYJG-QWHCGFSZSA-N -1 3 397.508 3.566 20 0 GHADHM O=C(Nc1cc(F)ccc1SCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738146264 599550008 /nfs/dbraw/zinc/55/00/08/599550008.db2.gz VSKBAZDPIIJJJI-UHFFFAOYSA-N -1 3 379.367 3.615 20 0 GHADHM O=C(Nc1cc(F)ccc1SCC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738146264 599550010 /nfs/dbraw/zinc/55/00/10/599550010.db2.gz VSKBAZDPIIJJJI-UHFFFAOYSA-N -1 3 379.367 3.615 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328141 599560495 /nfs/dbraw/zinc/56/04/95/599560495.db2.gz CSXCFLIHLKQPHT-QAPCUYQASA-N -1 3 395.463 3.679 20 0 GHADHM C[C@@H]1c2cccn2CCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736306970 599561789 /nfs/dbraw/zinc/56/17/89/599561789.db2.gz ZKQXOIYFOTZPMS-OAHLLOKOSA-N -1 3 399.458 3.629 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737334570 599599673 /nfs/dbraw/zinc/59/96/73/599599673.db2.gz IZIIHSLWOUXKSG-OAHLLOKOSA-N -1 3 395.511 3.827 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737334570 599599674 /nfs/dbraw/zinc/59/96/74/599599674.db2.gz IZIIHSLWOUXKSG-OAHLLOKOSA-N -1 3 395.511 3.827 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736058676 599606588 /nfs/dbraw/zinc/60/65/88/599606588.db2.gz OCHVJUXQKAUXMQ-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736058676 599606589 /nfs/dbraw/zinc/60/65/89/599606589.db2.gz OCHVJUXQKAUXMQ-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736352456 599609982 /nfs/dbraw/zinc/60/99/82/599609982.db2.gz LKVWQEXJBSHTOR-OAHLLOKOSA-N -1 3 396.451 3.514 20 0 GHADHM CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736352456 599609984 /nfs/dbraw/zinc/60/99/84/599609984.db2.gz LKVWQEXJBSHTOR-OAHLLOKOSA-N -1 3 396.451 3.514 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737329288 599611855 /nfs/dbraw/zinc/61/18/55/599611855.db2.gz ITTWLADHUFAOKN-UZLBHIALSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737329288 599611856 /nfs/dbraw/zinc/61/18/56/599611856.db2.gz ITTWLADHUFAOKN-UZLBHIALSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737333087 599611980 /nfs/dbraw/zinc/61/19/80/599611980.db2.gz ZPXZWMNQMSQMCT-KRWDZBQOSA-N -1 3 380.452 3.595 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737333087 599611982 /nfs/dbraw/zinc/61/19/82/599611982.db2.gz ZPXZWMNQMSQMCT-KRWDZBQOSA-N -1 3 380.452 3.595 20 0 GHADHM O=C(CCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822974430 599632338 /nfs/dbraw/zinc/63/23/38/599632338.db2.gz MBYRBGQSANMTHI-UHFFFAOYSA-N -1 3 397.307 3.735 20 0 GHADHM O=C(CCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822974430 599632339 /nfs/dbraw/zinc/63/23/39/599632339.db2.gz MBYRBGQSANMTHI-UHFFFAOYSA-N -1 3 397.307 3.735 20 0 GHADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822258806 599633562 /nfs/dbraw/zinc/63/35/62/599633562.db2.gz DBIYBBSDOFPIQJ-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822258806 599633563 /nfs/dbraw/zinc/63/35/63/599633563.db2.gz DBIYBBSDOFPIQJ-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CSc2ccccc21 ZINC000823303546 599634241 /nfs/dbraw/zinc/63/42/41/599634241.db2.gz MCGJWPIBYVUNOP-GFCCVEGCSA-N -1 3 391.378 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CSc2ccccc21 ZINC000823303546 599634242 /nfs/dbraw/zinc/63/42/42/599634242.db2.gz MCGJWPIBYVUNOP-GFCCVEGCSA-N -1 3 391.378 3.714 20 0 GHADHM CC(C)[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)cc1 ZINC000820025647 599635109 /nfs/dbraw/zinc/63/51/09/599635109.db2.gz AMZQHAJFJFHGAS-GOSISDBHSA-N -1 3 393.426 3.543 20 0 GHADHM c1ccc2c(c1)CC[C@H]2N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000823797757 599636947 /nfs/dbraw/zinc/63/69/47/599636947.db2.gz QXYVLZJBLDVLHO-LJQANCHMSA-N -1 3 399.458 3.569 20 0 GHADHM Cc1ccccc1N(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000822361451 599637765 /nfs/dbraw/zinc/63/77/65/599637765.db2.gz BHNLKPJMUBEPJV-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1ccccc1N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000822361451 599637766 /nfs/dbraw/zinc/63/77/66/599637766.db2.gz BHNLKPJMUBEPJV-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820965905 599655644 /nfs/dbraw/zinc/65/56/44/599655644.db2.gz AKLCGUCGYRLIHL-QAPCUYQASA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820965905 599655645 /nfs/dbraw/zinc/65/56/45/599655645.db2.gz AKLCGUCGYRLIHL-QAPCUYQASA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736247941 599655691 /nfs/dbraw/zinc/65/56/91/599655691.db2.gz HQICFNYWUVBPSP-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc2ccccc21 ZINC000820364502 599665013 /nfs/dbraw/zinc/66/50/13/599665013.db2.gz BUMNYGKYXFDHLB-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc2ccccc21 ZINC000820364502 599665014 /nfs/dbraw/zinc/66/50/14/599665014.db2.gz BUMNYGKYXFDHLB-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM CN(C)C(=O)c1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000737355699 599770568 /nfs/dbraw/zinc/77/05/68/599770568.db2.gz CXAJEDQPEAFITL-QGZVFWFLSA-N -1 3 395.286 3.953 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(OC(F)F)c1)c1ccc(Br)cc1 ZINC000426826525 599791172 /nfs/dbraw/zinc/79/11/72/599791172.db2.gz PHVWSOMHLJHDBC-CQSZACIVSA-N -1 3 386.192 3.966 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820161579 607400279 /nfs/dbraw/zinc/40/02/79/607400279.db2.gz XDVLFGBFFVSCKZ-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820161579 607400280 /nfs/dbraw/zinc/40/02/80/607400280.db2.gz XDVLFGBFFVSCKZ-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc3ccsc3c2)cc1-c1nnn[n-]1 ZINC000820174240 607400880 /nfs/dbraw/zinc/40/08/80/607400880.db2.gz PLIWXMGBMUGVBT-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc3ccsc3c2)cc1-c1nn[n-]n1 ZINC000820174240 607400881 /nfs/dbraw/zinc/40/08/81/607400881.db2.gz PLIWXMGBMUGVBT-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000518386805 599866621 /nfs/dbraw/zinc/86/66/21/599866621.db2.gz QWFXKYAFIYAPHO-GCJKJVERSA-N -1 3 394.471 3.833 20 0 GHADHM Cc1sc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000738996078 599879928 /nfs/dbraw/zinc/87/99/28/599879928.db2.gz AXCFUFXTYAQUON-UHFFFAOYSA-N -1 3 393.484 3.798 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Sc2ccncc2)cc1 ZINC000823078203 607408280 /nfs/dbraw/zinc/40/82/80/607408280.db2.gz ILYYUHZGNADYFQ-UHFFFAOYSA-N -1 3 388.456 3.594 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Sc2ccncc2)cc1 ZINC000823078203 607408281 /nfs/dbraw/zinc/40/82/81/607408281.db2.gz ILYYUHZGNADYFQ-UHFFFAOYSA-N -1 3 388.456 3.594 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408009 607416629 /nfs/dbraw/zinc/41/66/29/607416629.db2.gz MEWMIRCZDYUNGI-UHFFFAOYSA-N -1 3 399.454 3.865 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408009 607416631 /nfs/dbraw/zinc/41/66/31/607416631.db2.gz MEWMIRCZDYUNGI-UHFFFAOYSA-N -1 3 399.454 3.865 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408164 607418100 /nfs/dbraw/zinc/41/81/00/607418100.db2.gz SFDLKEDRUJFLMP-UHFFFAOYSA-N -1 3 398.470 3.600 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408164 607418102 /nfs/dbraw/zinc/41/81/02/607418102.db2.gz SFDLKEDRUJFLMP-UHFFFAOYSA-N -1 3 398.470 3.600 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000740078473 600085431 /nfs/dbraw/zinc/08/54/31/600085431.db2.gz JYWNSAOECSFFOH-UHFFFAOYSA-N -1 3 376.859 3.885 20 0 GHADHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc(C)c1OC(F)F ZINC000826258352 607419800 /nfs/dbraw/zinc/41/98/00/607419800.db2.gz IHYFHTNSJGRNSF-UHFFFAOYSA-N -1 3 399.401 3.504 20 0 GHADHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc(C)c1OC(F)F ZINC000826258352 607419801 /nfs/dbraw/zinc/41/98/01/607419801.db2.gz IHYFHTNSJGRNSF-UHFFFAOYSA-N -1 3 399.401 3.504 20 0 GHADHM CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737447635 600212679 /nfs/dbraw/zinc/21/26/79/600212679.db2.gz CIDYIRKFCBICOB-VOIUYBSRSA-N -1 3 386.300 3.859 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738518853 600263007 /nfs/dbraw/zinc/26/30/07/600263007.db2.gz PDEJNNDHKCZKEN-NVXWUHKLSA-N -1 3 384.451 3.724 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834195 607433729 /nfs/dbraw/zinc/43/37/29/607433729.db2.gz RDPLZSNLOAJFPT-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834195 607433731 /nfs/dbraw/zinc/43/37/31/607433731.db2.gz RDPLZSNLOAJFPT-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000736633088 600309065 /nfs/dbraw/zinc/30/90/65/600309065.db2.gz KFQKTOPXZVNXCK-TWOQFEAHSA-N -1 3 380.488 3.592 20 0 GHADHM O=C([O-])c1ccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)c(F)c1 ZINC000740148155 600400658 /nfs/dbraw/zinc/40/06/58/600400658.db2.gz RNXSPNNGCHJSOV-UHFFFAOYSA-N -1 3 399.466 3.696 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000739223037 600402104 /nfs/dbraw/zinc/40/21/04/600402104.db2.gz MXZYRIDETXKAJC-LJQANCHMSA-N -1 3 378.900 3.627 20 0 GHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC000737204497 600434203 /nfs/dbraw/zinc/43/42/03/600434203.db2.gz SVBNIBGVXBVYHL-MRXNPFEDSA-N -1 3 382.229 3.902 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826286329 607445909 /nfs/dbraw/zinc/44/59/09/607445909.db2.gz YVNATLJJYSVMPM-UXHICEINSA-N -1 3 392.459 3.695 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826286329 607445912 /nfs/dbraw/zinc/44/59/12/607445912.db2.gz YVNATLJJYSVMPM-UXHICEINSA-N -1 3 392.459 3.695 20 0 GHADHM CSc1cccc(N(C(=O)c2cccc(C(=O)[O-])c2)C2CCN(C)CC2)c1 ZINC000738213262 600479931 /nfs/dbraw/zinc/47/99/31/600479931.db2.gz AKFCANOYHUPVJH-UHFFFAOYSA-N -1 3 384.501 3.848 20 0 GHADHM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C2 ZINC000740202565 600566776 /nfs/dbraw/zinc/56/67/76/600566776.db2.gz LJFDJGKZXKGTMW-NRFANRHFSA-N -1 3 393.487 3.637 20 0 GHADHM COc1cccc(N2CC[C@@H](N[C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)c1 ZINC000832563080 600746809 /nfs/dbraw/zinc/74/68/09/600746809.db2.gz VDQSJPDYCJWJPQ-FZKQIMNGSA-N -1 3 395.286 3.996 20 0 GHADHM O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826468061 607467114 /nfs/dbraw/zinc/46/71/14/607467114.db2.gz XTHDWMCPVDFVKL-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826468061 607467115 /nfs/dbraw/zinc/46/71/15/607467115.db2.gz XTHDWMCPVDFVKL-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM CCc1nccn1[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000830328882 600827837 /nfs/dbraw/zinc/82/78/37/600827837.db2.gz XPFGVMMIQZXPSZ-OAHLLOKOSA-N -1 3 377.872 3.513 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832928098 600839260 /nfs/dbraw/zinc/83/92/60/600839260.db2.gz AYFUQVLKZWHVRC-UYAOXDASSA-N -1 3 380.488 3.924 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000737368866 600853079 /nfs/dbraw/zinc/85/30/79/600853079.db2.gz WIBUBLBFILXXIT-AWEZNQCLSA-N -1 3 378.428 3.713 20 0 GHADHM O=C(Nc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1)c1cccs1 ZINC000823367704 607476569 /nfs/dbraw/zinc/47/65/69/607476569.db2.gz NSSFDTQZMXUEDI-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(Nc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1)c1cccs1 ZINC000823367704 607476571 /nfs/dbraw/zinc/47/65/71/607476571.db2.gz NSSFDTQZMXUEDI-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C([O-])CCN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000580326399 601048415 /nfs/dbraw/zinc/04/84/15/601048415.db2.gz PSMJLRCXMMJULF-UHFFFAOYSA-N -1 3 380.897 3.919 20 0 GHADHM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830500092 601129452 /nfs/dbraw/zinc/12/94/52/601129452.db2.gz JBFXQWLJXNAIDM-IBGZPJMESA-N -1 3 382.464 3.905 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 ZINC000826054717 601201457 /nfs/dbraw/zinc/20/14/57/601201457.db2.gz PNDXUFOKPCCTIO-PEBXRYMYSA-N -1 3 377.440 3.833 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000826054762 601205239 /nfs/dbraw/zinc/20/52/39/601205239.db2.gz QKQXEAULYUOTRN-YVEFUNNKSA-N -1 3 380.366 3.696 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc2nc(C)ccc2c1 ZINC000821699108 607496958 /nfs/dbraw/zinc/49/69/58/607496958.db2.gz BYXYLXPRPAHKCZ-UHFFFAOYSA-N -1 3 395.806 3.605 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc2nc(C)ccc2c1 ZINC000821699108 607496960 /nfs/dbraw/zinc/49/69/60/607496960.db2.gz BYXYLXPRPAHKCZ-UHFFFAOYSA-N -1 3 395.806 3.605 20 0 GHADHM CCCCc1ccc(NC(=S)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825296544 607529014 /nfs/dbraw/zinc/52/90/14/607529014.db2.gz NOZFJYDOKCXVFW-UHFFFAOYSA-N -1 3 396.520 3.705 20 0 GHADHM CCCCc1ccc(NC(=S)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825296544 607529015 /nfs/dbraw/zinc/52/90/15/607529015.db2.gz NOZFJYDOKCXVFW-UHFFFAOYSA-N -1 3 396.520 3.705 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000833141423 601950895 /nfs/dbraw/zinc/95/08/95/601950895.db2.gz UPDYPBCAGZBWJT-CYBMUJFWSA-N -1 3 391.468 3.619 20 0 GHADHM CN(C)C[C@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000830596283 601957412 /nfs/dbraw/zinc/95/74/12/601957412.db2.gz HJZVYSIEWZIFHO-INIZCTEOSA-N -1 3 395.381 3.828 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])c1 ZINC000832050311 602165303 /nfs/dbraw/zinc/16/53/03/602165303.db2.gz OPVWVBGFGUXNJM-RBZFPXEDSA-N -1 3 398.459 3.529 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])c1 ZINC000832050314 602165579 /nfs/dbraw/zinc/16/55/79/602165579.db2.gz OPVWVBGFGUXNJM-ZUOKHONESA-N -1 3 398.459 3.529 20 0 GHADHM CCC(C)(C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825039352 607548234 /nfs/dbraw/zinc/54/82/34/607548234.db2.gz PZQZOUYWZRSRNX-SFHVURJKSA-N -1 3 385.512 3.843 20 0 GHADHM CCC(C)(C)[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825039352 607548235 /nfs/dbraw/zinc/54/82/35/607548235.db2.gz PZQZOUYWZRSRNX-SFHVURJKSA-N -1 3 385.512 3.843 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000740469494 602281763 /nfs/dbraw/zinc/28/17/63/602281763.db2.gz GOUBBZLVBQENRN-IBGZPJMESA-N 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ZINC000826420150 607639946 /nfs/dbraw/zinc/63/99/46/607639946.db2.gz APKVTAGMCQTMAT-UHFFFAOYSA-N -1 3 391.456 3.597 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN2CCC([C@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000827974785 603734655 /nfs/dbraw/zinc/73/46/55/603734655.db2.gz FUCVPJJRLTVCEE-GOSISDBHSA-N -1 3 391.537 3.815 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)c2)cs1 ZINC000826323109 607650976 /nfs/dbraw/zinc/65/09/76/607650976.db2.gz QMMXBSUTCIGBJG-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)c2)cs1 ZINC000826323109 607650978 /nfs/dbraw/zinc/65/09/78/607650978.db2.gz QMMXBSUTCIGBJG-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825296444 607663237 /nfs/dbraw/zinc/66/32/37/607663237.db2.gz JGCFDRHGEYBGRC-UHFFFAOYSA-N -1 3 381.436 3.615 20 0 GHADHM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825296444 607663240 /nfs/dbraw/zinc/66/32/40/607663240.db2.gz JGCFDRHGEYBGRC-UHFFFAOYSA-N -1 3 381.436 3.615 20 0 GHADHM O=C(Nc1ccccc1C(F)(F)F)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457940 607674062 /nfs/dbraw/zinc/67/40/62/607674062.db2.gz WGHVLSCVNWHSOG-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM O=C(Nc1ccccc1C(F)(F)F)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457940 607674064 /nfs/dbraw/zinc/67/40/64/607674064.db2.gz WGHVLSCVNWHSOG-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM CCOc1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)cc1 ZINC000825638157 607674847 /nfs/dbraw/zinc/67/48/47/607674847.db2.gz HRYPEKIAUDXXCZ-UHFFFAOYSA-N -1 3 379.464 3.625 20 0 GHADHM CCOc1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)cc1 ZINC000825638157 607674848 /nfs/dbraw/zinc/67/48/48/607674848.db2.gz HRYPEKIAUDXXCZ-UHFFFAOYSA-N -1 3 379.464 3.625 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825643043 607682227 /nfs/dbraw/zinc/68/22/27/607682227.db2.gz GMWORKVZJRLAOJ-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825643043 607682228 /nfs/dbraw/zinc/68/22/28/607682228.db2.gz GMWORKVZJRLAOJ-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000508123759 607686453 /nfs/dbraw/zinc/68/64/53/607686453.db2.gz WQVBBROTPVPFAJ-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000508123759 607686456 /nfs/dbraw/zinc/68/64/56/607686456.db2.gz WQVBBROTPVPFAJ-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM C[C@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000825484268 604379393 /nfs/dbraw/zinc/37/93/93/604379393.db2.gz GIFUBQAYIDYXIX-SCLBCKFNSA-N -1 3 385.855 3.580 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNCc2cccc3c2N(C(=O)[O-])CC3)n1 ZINC000830009813 604524595 /nfs/dbraw/zinc/52/45/95/604524595.db2.gz HUUHHVABZMQJNW-UHFFFAOYSA-N -1 3 376.460 3.819 20 0 GHADHM C[C@H]1C[C@@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000833595448 604829811 /nfs/dbraw/zinc/82/98/11/604829811.db2.gz FOGDVKLQIGPINI-JSGCOSHPSA-N -1 3 379.913 3.984 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NCC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833495228 604915358 /nfs/dbraw/zinc/91/53/58/604915358.db2.gz XXWKCPPBKTWIBG-INIZCTEOSA-N -1 3 383.492 3.942 20 0 GHADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824391392 607723009 /nfs/dbraw/zinc/72/30/09/607723009.db2.gz HWMSXIXUTHJVMJ-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824391392 607723011 /nfs/dbraw/zinc/72/30/11/607723011.db2.gz HWMSXIXUTHJVMJ-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000825501325 604941569 /nfs/dbraw/zinc/94/15/69/604941569.db2.gz CEGYQVSRJSZNLW-AWEZNQCLSA-N -1 3 381.476 3.577 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000827687445 605008177 /nfs/dbraw/zinc/00/81/77/605008177.db2.gz MGYLPCZWZZSJKS-KDOFPFPSSA-N -1 3 385.464 3.583 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c(C)s1 ZINC000826323847 607733434 /nfs/dbraw/zinc/73/34/34/607733434.db2.gz UOYHZDHQVGVDOQ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c(C)s1 ZINC000826323847 607733435 /nfs/dbraw/zinc/73/34/35/607733435.db2.gz UOYHZDHQVGVDOQ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000833411354 605184476 /nfs/dbraw/zinc/18/44/76/605184476.db2.gz AQENDIPPBJRKQF-QGZVFWFLSA-N -1 3 378.831 3.859 20 0 GHADHM Cc1cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000829919444 605320306 /nfs/dbraw/zinc/32/03/06/605320306.db2.gz KVYMZPKPABRPLD-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM CC[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(OC)cc1 ZINC000825080721 607756900 /nfs/dbraw/zinc/75/69/00/607756900.db2.gz BQMROZVHJNMRKD-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM CC[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(OC)cc1 ZINC000825080721 607756901 /nfs/dbraw/zinc/75/69/01/607756901.db2.gz BQMROZVHJNMRKD-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826433358 607763848 /nfs/dbraw/zinc/76/38/48/607763848.db2.gz CRHPAULYHZJHTR-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826433358 607763849 /nfs/dbraw/zinc/76/38/49/607763849.db2.gz CRHPAULYHZJHTR-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824807749 607763996 /nfs/dbraw/zinc/76/39/96/607763996.db2.gz MWLZHHFRYGJZGL-SFHVURJKSA-N -1 3 394.454 3.519 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824807749 607763997 /nfs/dbraw/zinc/76/39/97/607763997.db2.gz MWLZHHFRYGJZGL-SFHVURJKSA-N -1 3 394.454 3.519 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000834062485 605612429 /nfs/dbraw/zinc/61/24/29/605612429.db2.gz JZFFXMVSHSYWBV-UHFFFAOYSA-N -1 3 382.464 3.623 20 0 GHADHM O=C([O-])N1CCc2cccc(CN3CCC4(CC3)OCCc3ccsc34)c21 ZINC000834122639 605656172 /nfs/dbraw/zinc/65/61/72/605656172.db2.gz IOLLLONIGNZENF-UHFFFAOYSA-N -1 3 384.501 3.853 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(F)c1 ZINC000826282185 607769556 /nfs/dbraw/zinc/76/95/56/607769556.db2.gz BVCZMTAPSSEGLF-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(F)c1 ZINC000826282185 607769557 /nfs/dbraw/zinc/76/95/57/607769557.db2.gz BVCZMTAPSSEGLF-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc21 ZINC000834157190 605802419 /nfs/dbraw/zinc/80/24/19/605802419.db2.gz GWDZCDXVQNZXLU-RTWAWAEBSA-N -1 3 393.487 3.856 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4nc5ccccc5cc4-c4nnn[n-]4)C3)nc2c1 ZINC000823801823 606044558 /nfs/dbraw/zinc/04/45/58/606044558.db2.gz CHXPQGLTDIBTOX-HNNXBMFYSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4nc5ccccc5cc4-c4nn[n-]n4)C3)nc2c1 ZINC000823801823 606044565 /nfs/dbraw/zinc/04/45/65/606044565.db2.gz CHXPQGLTDIBTOX-HNNXBMFYSA-N -1 3 397.442 3.940 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822034410 606105061 /nfs/dbraw/zinc/10/50/61/606105061.db2.gz BZTFLVKUZXQACB-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822034410 606105063 /nfs/dbraw/zinc/10/50/63/606105063.db2.gz BZTFLVKUZXQACB-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000820321479 606123304 /nfs/dbraw/zinc/12/33/04/606123304.db2.gz GYYWZGDGCADRCJ-IAGOWNOFSA-N -1 3 393.491 3.724 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000820321479 606123306 /nfs/dbraw/zinc/12/33/06/606123306.db2.gz GYYWZGDGCADRCJ-IAGOWNOFSA-N -1 3 393.491 3.724 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820938625 606125974 /nfs/dbraw/zinc/12/59/74/606125974.db2.gz KUUDKIBTFZVVEU-LJQANCHMSA-N -1 3 391.475 3.524 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820938625 606125975 /nfs/dbraw/zinc/12/59/75/606125975.db2.gz KUUDKIBTFZVVEU-LJQANCHMSA-N -1 3 391.475 3.524 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000823107692 606145460 /nfs/dbraw/zinc/14/54/60/606145460.db2.gz FKIGJDHSDMVAGO-JOCHJYFZSA-N -1 3 398.422 3.577 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000823107692 606145461 /nfs/dbraw/zinc/14/54/61/606145461.db2.gz FKIGJDHSDMVAGO-JOCHJYFZSA-N -1 3 398.422 3.577 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562147 606149565 /nfs/dbraw/zinc/14/95/65/606149565.db2.gz DNSMTIQTHSTBMG-UONOGXRCSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562147 606149566 /nfs/dbraw/zinc/14/95/66/606149566.db2.gz DNSMTIQTHSTBMG-UONOGXRCSA-N -1 3 383.883 3.713 20 0 GHADHM CC1(C)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000820601527 606151477 /nfs/dbraw/zinc/15/14/77/606151477.db2.gz NQEXEIBOJOLBOH-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820379546 606153792 /nfs/dbraw/zinc/15/37/92/606153792.db2.gz CVIWGJLKSNTPCI-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccnc2)cc1 ZINC000820379546 606153793 /nfs/dbraw/zinc/15/37/93/606153793.db2.gz CVIWGJLKSNTPCI-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000821612420 606154852 /nfs/dbraw/zinc/15/48/52/606154852.db2.gz UUIFYPFKAYKBHZ-UHFFFAOYSA-N -1 3 392.463 3.759 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000821612420 606154853 /nfs/dbraw/zinc/15/48/53/606154853.db2.gz UUIFYPFKAYKBHZ-UHFFFAOYSA-N -1 3 392.463 3.759 20 0 GHADHM C[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000820287573 606178223 /nfs/dbraw/zinc/17/82/23/606178223.db2.gz NULUSPPTDZEMKV-QWRGUYRKSA-N -1 3 392.868 3.696 20 0 GHADHM C[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000820287573 606178224 /nfs/dbraw/zinc/17/82/24/606178224.db2.gz NULUSPPTDZEMKV-QWRGUYRKSA-N -1 3 392.868 3.696 20 0 GHADHM CCc1ccc(CN(C)C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821480299 606179730 /nfs/dbraw/zinc/17/97/30/606179730.db2.gz AYFILYSUUCNKIO-OAHLLOKOSA-N -1 3 395.532 3.882 20 0 GHADHM CCc1ccc(CN(C)C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821480299 606179731 /nfs/dbraw/zinc/17/97/31/606179731.db2.gz AYFILYSUUCNKIO-OAHLLOKOSA-N -1 3 395.532 3.882 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000569999487 606206793 /nfs/dbraw/zinc/20/67/93/606206793.db2.gz AITCGZFXPREYKN-CCHVVGMOSA-N -1 3 391.397 3.954 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000569999487 606206795 /nfs/dbraw/zinc/20/67/95/606206795.db2.gz AITCGZFXPREYKN-CCHVVGMOSA-N -1 3 391.397 3.954 20 0 GHADHM O[C@@H](C[C@@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823672834 606241288 /nfs/dbraw/zinc/24/12/88/606241288.db2.gz HEJHGSZICKNXDY-WMZOPIPTSA-N -1 3 398.898 3.788 20 0 GHADHM O[C@@H](C[C@@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823672834 606241290 /nfs/dbraw/zinc/24/12/90/606241290.db2.gz HEJHGSZICKNXDY-WMZOPIPTSA-N -1 3 398.898 3.788 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823350554 606246318 /nfs/dbraw/zinc/24/63/18/606246318.db2.gz RDDRZESDWBOJQP-DLBZAZTESA-N -1 3 393.422 3.569 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823350554 606246319 /nfs/dbraw/zinc/24/63/19/606246319.db2.gz RDDRZESDWBOJQP-DLBZAZTESA-N -1 3 393.422 3.569 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822977852 606261739 /nfs/dbraw/zinc/26/17/39/606261739.db2.gz ADHCKLOTCVDGDK-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822977852 606261741 /nfs/dbraw/zinc/26/17/41/606261741.db2.gz ADHCKLOTCVDGDK-UHFFFAOYSA-N -1 3 380.210 3.884 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820939633 606263315 /nfs/dbraw/zinc/26/33/15/606263315.db2.gz WMLUJSGPLAONPS-QGZVFWFLSA-N -1 3 383.427 3.925 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820939633 606263317 /nfs/dbraw/zinc/26/33/17/606263317.db2.gz WMLUJSGPLAONPS-QGZVFWFLSA-N -1 3 383.427 3.925 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1C(C)C ZINC000822210624 606270391 /nfs/dbraw/zinc/27/03/91/606270391.db2.gz KZUZXEPZPZNISX-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1C(C)C ZINC000822210624 606270393 /nfs/dbraw/zinc/27/03/93/606270393.db2.gz KZUZXEPZPZNISX-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(OCc2cccs2)c1 ZINC000823347550 606272295 /nfs/dbraw/zinc/27/22/95/606272295.db2.gz ZHEHRQJBWSIRLT-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(OCc2cccs2)c1 ZINC000823347550 606272297 /nfs/dbraw/zinc/27/22/97/606272297.db2.gz ZHEHRQJBWSIRLT-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820648641 606278563 /nfs/dbraw/zinc/27/85/63/606278563.db2.gz DSJBXFXCTFDSPU-KBPBESRZSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820648641 606278564 /nfs/dbraw/zinc/27/85/64/606278564.db2.gz DSJBXFXCTFDSPU-KBPBESRZSA-N -1 3 379.489 3.888 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640304 606296712 /nfs/dbraw/zinc/29/67/12/606296712.db2.gz FUHOSXJGMSNIMT-QRWLVFNGSA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640304 606296714 /nfs/dbraw/zinc/29/67/14/606296714.db2.gz FUHOSXJGMSNIMT-QRWLVFNGSA-N -1 3 393.491 3.630 20 0 GHADHM C[C@@H](S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccc(F)cc1 ZINC000820550148 606310624 /nfs/dbraw/zinc/31/06/24/606310624.db2.gz VAVKZZBAVHFCJG-QMTHXVAHSA-N -1 3 389.481 3.667 20 0 GHADHM C[C@@H](S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccc(F)cc1 ZINC000820550148 606310625 /nfs/dbraw/zinc/31/06/25/606310625.db2.gz VAVKZZBAVHFCJG-QMTHXVAHSA-N -1 3 389.481 3.667 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1C(F)(F)F ZINC000823070775 606326259 /nfs/dbraw/zinc/32/62/59/606326259.db2.gz NQAFZAUZPFWZHY-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1C(F)(F)F ZINC000823070775 606326261 /nfs/dbraw/zinc/32/62/61/606326261.db2.gz NQAFZAUZPFWZHY-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)Cc2ccc3ccccc3n2)n1 ZINC000822428024 606333489 /nfs/dbraw/zinc/33/34/89/606333489.db2.gz YGKFBUVARBQODB-LLVKDONJSA-N -1 3 377.477 3.545 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)Cc2ccc3ccccc3n2)n1 ZINC000822428024 606333491 /nfs/dbraw/zinc/33/34/91/606333491.db2.gz YGKFBUVARBQODB-LLVKDONJSA-N -1 3 377.477 3.545 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513153 606339496 /nfs/dbraw/zinc/33/94/96/606339496.db2.gz VUWUDBFJUPXMEH-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513153 606339498 /nfs/dbraw/zinc/33/94/98/606339498.db2.gz VUWUDBFJUPXMEH-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497621 606344039 /nfs/dbraw/zinc/34/40/39/606344039.db2.gz TUFCZHVYDZOTES-CQSZACIVSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497621 606344041 /nfs/dbraw/zinc/34/40/41/606344041.db2.gz TUFCZHVYDZOTES-CQSZACIVSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccccc2F)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502438 606344187 /nfs/dbraw/zinc/34/41/87/606344187.db2.gz ROWXQYDRZVJZPP-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccccc2F)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502438 606344188 /nfs/dbraw/zinc/34/41/88/606344188.db2.gz ROWXQYDRZVJZPP-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535498 606350506 /nfs/dbraw/zinc/35/05/06/606350506.db2.gz UILNFKAQCBSVAN-ZDUSSCGKSA-N -1 3 389.415 3.677 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535498 606350507 /nfs/dbraw/zinc/35/05/07/606350507.db2.gz UILNFKAQCBSVAN-ZDUSSCGKSA-N -1 3 389.415 3.677 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822458580 606355472 /nfs/dbraw/zinc/35/54/72/606355472.db2.gz DSDNLNDLNHDJHX-LBPRGKRZSA-N -1 3 377.379 3.780 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822458580 606355474 /nfs/dbraw/zinc/35/54/74/606355474.db2.gz DSDNLNDLNHDJHX-LBPRGKRZSA-N -1 3 377.379 3.780 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(Br)cc1 ZINC000822216192 606363656 /nfs/dbraw/zinc/36/36/56/606363656.db2.gz IBNYKCFALWAAIF-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(Br)cc1 ZINC000822216192 606363658 /nfs/dbraw/zinc/36/36/58/606363658.db2.gz IBNYKCFALWAAIF-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821456599 606395625 /nfs/dbraw/zinc/39/56/25/606395625.db2.gz QRUAQAVEXJNKSY-KGLIPLIRSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821456599 606395626 /nfs/dbraw/zinc/39/56/26/606395626.db2.gz QRUAQAVEXJNKSY-KGLIPLIRSA-N -1 3 391.545 3.609 20 0 GHADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225801 606397361 /nfs/dbraw/zinc/39/73/61/606397361.db2.gz PNDJCIHVAGZDBU-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225801 606397362 /nfs/dbraw/zinc/39/73/62/606397362.db2.gz PNDJCIHVAGZDBU-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1c(Cl)ccc(F)c1Cl ZINC000820508037 606406735 /nfs/dbraw/zinc/40/67/35/606406735.db2.gz LNEKTOOWYXTAJD-ZETCQYMHSA-N -1 3 384.198 3.569 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1c(Cl)ccc(F)c1Cl ZINC000820508037 606406736 /nfs/dbraw/zinc/40/67/36/606406736.db2.gz LNEKTOOWYXTAJD-ZETCQYMHSA-N -1 3 384.198 3.569 20 0 GHADHM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821841060 606443436 /nfs/dbraw/zinc/44/34/36/606443436.db2.gz AMSBEBWSEHHDIJ-KRWDZBQOSA-N -1 3 385.855 3.879 20 0 GHADHM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821841060 606443438 /nfs/dbraw/zinc/44/34/38/606443438.db2.gz AMSBEBWSEHHDIJ-KRWDZBQOSA-N -1 3 385.855 3.879 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000821786779 606443585 /nfs/dbraw/zinc/44/35/85/606443585.db2.gz JEACQTMUCAZTBZ-KRWDZBQOSA-N -1 3 385.855 3.879 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000821786779 606443587 /nfs/dbraw/zinc/44/35/87/606443587.db2.gz JEACQTMUCAZTBZ-KRWDZBQOSA-N -1 3 385.855 3.879 20 0 GHADHM O=C(OCc1ccc(OCc2cccs2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823426180 606466029 /nfs/dbraw/zinc/46/60/29/606466029.db2.gz BSXSSHYKMULYIF-UHFFFAOYSA-N -1 3 398.469 3.926 20 0 GHADHM O=C(OCc1ccc(OCc2cccs2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823426180 606466030 /nfs/dbraw/zinc/46/60/30/606466030.db2.gz BSXSSHYKMULYIF-UHFFFAOYSA-N -1 3 398.469 3.926 20 0 GHADHM c1ccc2sc(NC3CCN(c4ccccc4-c4nnn[n-]4)CC3)nc2c1 ZINC000823788102 606482043 /nfs/dbraw/zinc/48/20/43/606482043.db2.gz VISIGUCNVBWUMO-UHFFFAOYSA-N -1 3 377.477 3.557 20 0 GHADHM c1ccc2sc(NC3CCN(c4ccccc4-c4nn[n-]n4)CC3)nc2c1 ZINC000823788102 606482045 /nfs/dbraw/zinc/48/20/45/606482045.db2.gz VISIGUCNVBWUMO-UHFFFAOYSA-N -1 3 377.477 3.557 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820555635 606483139 /nfs/dbraw/zinc/48/31/39/606483139.db2.gz ONXHXVCZZKJMTA-SNVBAGLBSA-N -1 3 395.360 3.939 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820555635 606483140 /nfs/dbraw/zinc/48/31/40/606483140.db2.gz ONXHXVCZZKJMTA-SNVBAGLBSA-N -1 3 395.360 3.939 20 0 GHADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821827931 606483657 /nfs/dbraw/zinc/48/36/57/606483657.db2.gz NLLAOVCNUUZWAT-UHFFFAOYSA-N -1 3 397.485 3.845 20 0 GHADHM COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821827931 606483659 /nfs/dbraw/zinc/48/36/59/606483659.db2.gz NLLAOVCNUUZWAT-UHFFFAOYSA-N -1 3 397.485 3.845 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C1(Cc2ccccc2)CC1 ZINC000821388931 606483837 /nfs/dbraw/zinc/48/38/37/606483837.db2.gz BDKZGFFOZWFJEA-UHFFFAOYSA-N -1 3 398.850 3.847 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C1(Cc2ccccc2)CC1 ZINC000821388931 606483839 /nfs/dbraw/zinc/48/38/39/606483839.db2.gz BDKZGFFOZWFJEA-UHFFFAOYSA-N -1 3 398.850 3.847 20 0 GHADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821614325 606495323 /nfs/dbraw/zinc/49/53/23/606495323.db2.gz AJZMFLBMFLCGDV-UHFFFAOYSA-N -1 3 390.472 3.817 20 0 GHADHM CN(Cc1ccccc1)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821614325 606495325 /nfs/dbraw/zinc/49/53/25/606495325.db2.gz AJZMFLBMFLCGDV-UHFFFAOYSA-N -1 3 390.472 3.817 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000823092056 606497866 /nfs/dbraw/zinc/49/78/66/606497866.db2.gz ASGWDCKBNFBIMT-IBGZPJMESA-N -1 3 393.447 3.516 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000823092056 606497868 /nfs/dbraw/zinc/49/78/68/606497868.db2.gz ASGWDCKBNFBIMT-IBGZPJMESA-N -1 3 393.447 3.516 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000823472192 606515278 /nfs/dbraw/zinc/51/52/78/606515278.db2.gz DANSJZQHMBITPC-ZDUSSCGKSA-N -1 3 391.909 3.512 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000823472192 606515279 /nfs/dbraw/zinc/51/52/79/606515279.db2.gz DANSJZQHMBITPC-ZDUSSCGKSA-N -1 3 391.909 3.512 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357729 606529251 /nfs/dbraw/zinc/52/92/51/606529251.db2.gz JLKUHYWIDGVBTK-HUBLWGQQSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357729 606529253 /nfs/dbraw/zinc/52/92/53/606529253.db2.gz JLKUHYWIDGVBTK-HUBLWGQQSA-N -1 3 396.417 3.596 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820938322 606539159 /nfs/dbraw/zinc/53/91/59/606539159.db2.gz IMFPTVYHEFSBFR-PMACEKPBSA-N -1 3 375.476 3.594 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820938322 606539160 /nfs/dbraw/zinc/53/91/60/606539160.db2.gz IMFPTVYHEFSBFR-PMACEKPBSA-N -1 3 375.476 3.594 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822220095 606575425 /nfs/dbraw/zinc/57/54/25/606575425.db2.gz CZKZORONYZTNAR-AAEUAGOBSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822220095 606575426 /nfs/dbraw/zinc/57/54/26/606575426.db2.gz CZKZORONYZTNAR-AAEUAGOBSA-N -1 3 382.390 3.665 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000821763043 606576347 /nfs/dbraw/zinc/57/63/47/606576347.db2.gz UCPXLSIVUCNDRH-KRWDZBQOSA-N -1 3 396.426 3.774 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000821763043 606576348 /nfs/dbraw/zinc/57/63/48/606576348.db2.gz UCPXLSIVUCNDRH-KRWDZBQOSA-N -1 3 396.426 3.774 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@H]1C ZINC000820741401 606577650 /nfs/dbraw/zinc/57/76/50/606577650.db2.gz CMRAAYIRCWYYDV-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@H]1C ZINC000820741401 606577652 /nfs/dbraw/zinc/57/76/52/606577652.db2.gz CMRAAYIRCWYYDV-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000822191935 606587908 /nfs/dbraw/zinc/58/79/08/606587908.db2.gz UYEFIXFAFMGAHJ-CQSZACIVSA-N -1 3 394.454 3.749 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000822191935 606587910 /nfs/dbraw/zinc/58/79/10/606587910.db2.gz UYEFIXFAFMGAHJ-CQSZACIVSA-N -1 3 394.454 3.749 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000821859197 606602932 /nfs/dbraw/zinc/60/29/32/606602932.db2.gz MIAYMHCBQCCWMZ-CYBMUJFWSA-N -1 3 382.468 3.564 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000821859197 606602934 /nfs/dbraw/zinc/60/29/34/606602934.db2.gz MIAYMHCBQCCWMZ-CYBMUJFWSA-N -1 3 382.468 3.564 20 0 GHADHM COCCN(C(=O)CCCc1cc(C)sc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688464 606603690 /nfs/dbraw/zinc/60/36/90/606603690.db2.gz LRVPQFIAVYQYFC-UHFFFAOYSA-N -1 3 399.520 3.547 20 0 GHADHM COCCN(C(=O)CCCc1cc(C)sc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688464 606603692 /nfs/dbraw/zinc/60/36/92/606603692.db2.gz LRVPQFIAVYQYFC-UHFFFAOYSA-N -1 3 399.520 3.547 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821563896 606605378 /nfs/dbraw/zinc/60/53/78/606605378.db2.gz KXWGZHSPFGBSJN-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM CCN(CC(=O)c1cc(C)n(CC)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821171007 606646447 /nfs/dbraw/zinc/64/64/47/606646447.db2.gz ZORMOKAEPYIWRX-OAHLLOKOSA-N -1 3 380.496 3.571 20 0 GHADHM O=C(Cc1ccc(F)c(F)c1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823083090 606664685 /nfs/dbraw/zinc/66/46/85/606664685.db2.gz VQYGEKVSTBXESP-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(Cc1ccc(F)c(F)c1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823083090 606664686 /nfs/dbraw/zinc/66/46/86/606664686.db2.gz VQYGEKVSTBXESP-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)COC1 ZINC000820943998 606672870 /nfs/dbraw/zinc/67/28/70/606672870.db2.gz FWMGJFRNYABNAB-UHFFFAOYSA-N -1 3 399.838 3.678 20 0 GHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)COC1 ZINC000820943998 606672871 /nfs/dbraw/zinc/67/28/71/606672871.db2.gz FWMGJFRNYABNAB-UHFFFAOYSA-N -1 3 399.838 3.678 20 0 GHADHM CC(C)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000820111636 606675782 /nfs/dbraw/zinc/67/57/82/606675782.db2.gz DFPJFONJZAVIFL-UHFFFAOYSA-N -1 3 377.782 3.854 20 0 GHADHM CC(C)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000820111636 606675783 /nfs/dbraw/zinc/67/57/83/606675783.db2.gz DFPJFONJZAVIFL-UHFFFAOYSA-N -1 3 377.782 3.854 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823357440 606675803 /nfs/dbraw/zinc/67/58/03/606675803.db2.gz VQZGBSJJZXKLMS-UHFFFAOYSA-N -1 3 398.398 3.884 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823357440 606675804 /nfs/dbraw/zinc/67/58/04/606675804.db2.gz VQZGBSJJZXKLMS-UHFFFAOYSA-N -1 3 398.398 3.884 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC(F)F)c1cccc(Cl)c1 ZINC000823454390 606686885 /nfs/dbraw/zinc/68/68/85/606686885.db2.gz PTWLNEJOWQONGY-UHFFFAOYSA-N -1 3 399.735 3.710 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC(F)F)c1cccc(Cl)c1 ZINC000823454390 606686886 /nfs/dbraw/zinc/68/68/86/606686886.db2.gz PTWLNEJOWQONGY-UHFFFAOYSA-N -1 3 399.735 3.710 20 0 GHADHM O=C(NCCC1CCC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823187162 606690568 /nfs/dbraw/zinc/69/05/68/606690568.db2.gz DOXIRQGXYYWOHJ-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM O=C(NCCC1CCC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823187162 606690569 /nfs/dbraw/zinc/69/05/69/606690569.db2.gz DOXIRQGXYYWOHJ-UHFFFAOYSA-N -1 3 379.489 3.938 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821475855 606716602 /nfs/dbraw/zinc/71/66/02/606716602.db2.gz BFWUJNSYTWEUKU-KGLIPLIRSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821475855 606716604 /nfs/dbraw/zinc/71/66/04/606716604.db2.gz BFWUJNSYTWEUKU-KGLIPLIRSA-N -1 3 389.463 3.891 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000822220424 606717402 /nfs/dbraw/zinc/71/74/02/606717402.db2.gz QRAGRRJWUQJHKH-UHFFFAOYSA-N -1 3 399.458 3.555 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000822220424 606717404 /nfs/dbraw/zinc/71/74/04/606717404.db2.gz QRAGRRJWUQJHKH-UHFFFAOYSA-N -1 3 399.458 3.555 20 0 GHADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821990642 606717414 /nfs/dbraw/zinc/71/74/14/606717414.db2.gz UYHKFROTYBODQQ-UHFFFAOYSA-N -1 3 397.508 3.545 20 0 GHADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821990642 606717415 /nfs/dbraw/zinc/71/74/15/606717415.db2.gz UYHKFROTYBODQQ-UHFFFAOYSA-N -1 3 397.508 3.545 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820183482 606744802 /nfs/dbraw/zinc/74/48/02/606744802.db2.gz FEZVJGLPRPOWIV-ZDUSSCGKSA-N -1 3 383.477 3.773 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820183482 606744804 /nfs/dbraw/zinc/74/48/04/606744804.db2.gz FEZVJGLPRPOWIV-ZDUSSCGKSA-N -1 3 383.477 3.773 20 0 GHADHM CC(C)CC1(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCCC1 ZINC000820061453 606754942 /nfs/dbraw/zinc/75/49/42/606754942.db2.gz BPXPDHIMEPEOMC-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC(C)CC1(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCCC1 ZINC000820061453 606754944 /nfs/dbraw/zinc/75/49/44/606754944.db2.gz BPXPDHIMEPEOMC-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CCCCC[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000821044171 606759805 /nfs/dbraw/zinc/75/98/05/606759805.db2.gz XRBYXLXLIJYYEO-MRXNPFEDSA-N -1 3 398.467 3.812 20 0 GHADHM CCCCC[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000821044171 606759807 /nfs/dbraw/zinc/75/98/07/606759807.db2.gz XRBYXLXLIJYYEO-MRXNPFEDSA-N -1 3 398.467 3.812 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000823427157 606764038 /nfs/dbraw/zinc/76/40/38/606764038.db2.gz ZAHXDLUOVBJBCX-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(C(F)(F)F)ccc1F ZINC000823427157 606764040 /nfs/dbraw/zinc/76/40/40/606764040.db2.gz ZAHXDLUOVBJBCX-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820183735 606771456 /nfs/dbraw/zinc/77/14/56/606771456.db2.gz JXMFABGGMHFDFK-UHFFFAOYSA-N -1 3 398.492 3.568 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000822135617 606773877 /nfs/dbraw/zinc/77/38/77/606773877.db2.gz DXQHYBVPUPTDHC-CQSZACIVSA-N -1 3 377.448 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000822135617 606773879 /nfs/dbraw/zinc/77/38/79/606773879.db2.gz DXQHYBVPUPTDHC-CQSZACIVSA-N -1 3 377.448 3.840 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000820063800 606810814 /nfs/dbraw/zinc/81/08/14/606810814.db2.gz ZMIZTOIVCHZKIJ-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000820063800 606810816 /nfs/dbraw/zinc/81/08/16/606810816.db2.gz ZMIZTOIVCHZKIJ-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000823077873 606816404 /nfs/dbraw/zinc/81/64/04/606816404.db2.gz BNKYIHAGJRQRFU-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000823077873 606816405 /nfs/dbraw/zinc/81/64/05/606816405.db2.gz BNKYIHAGJRQRFU-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM Cc1nc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)oc1-c1ccc(Cl)cc1 ZINC000822444685 606817411 /nfs/dbraw/zinc/81/74/11/606817411.db2.gz XLBZLVQOBPFEMF-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)oc1-c1ccc(Cl)cc1 ZINC000822444685 606817412 /nfs/dbraw/zinc/81/74/12/606817412.db2.gz XLBZLVQOBPFEMF-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cccc(C)c1NC(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822294174 606843157 /nfs/dbraw/zinc/84/31/57/606843157.db2.gz UKAHISRETUTLBD-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1cccc(C)c1NC(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822294174 606843159 /nfs/dbraw/zinc/84/31/59/606843159.db2.gz UKAHISRETUTLBD-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000820333645 606850739 /nfs/dbraw/zinc/85/07/39/606850739.db2.gz FOLCYIZNDZRDMR-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000820333645 606850741 /nfs/dbraw/zinc/85/07/41/606850741.db2.gz FOLCYIZNDZRDMR-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000823066116 606852297 /nfs/dbraw/zinc/85/22/97/606852297.db2.gz MKBRENPAMDCOJY-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000823066116 606852298 /nfs/dbraw/zinc/85/22/98/606852298.db2.gz MKBRENPAMDCOJY-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467199758 606860888 /nfs/dbraw/zinc/86/08/88/606860888.db2.gz CXZRXBOTYCLHGM-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467199758 606860889 /nfs/dbraw/zinc/86/08/89/606860889.db2.gz CXZRXBOTYCLHGM-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000821105211 606861282 /nfs/dbraw/zinc/86/12/82/606861282.db2.gz YYHMZTARCWUMNC-UHFFFAOYSA-N -1 3 398.470 3.981 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000821105211 606861284 /nfs/dbraw/zinc/86/12/84/606861284.db2.gz YYHMZTARCWUMNC-UHFFFAOYSA-N -1 3 398.470 3.981 20 0 GHADHM O=C(c1cncc(-c2ccccc2)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823498282 606861903 /nfs/dbraw/zinc/86/19/03/606861903.db2.gz KDAZCSDCVWWPEC-UHFFFAOYSA-N -1 3 396.454 3.734 20 0 GHADHM O=C(c1cncc(-c2ccccc2)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823498282 606861905 /nfs/dbraw/zinc/86/19/05/606861905.db2.gz KDAZCSDCVWWPEC-UHFFFAOYSA-N -1 3 396.454 3.734 20 0 GHADHM Cc1cccc(-c2nnc(SCCCOc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822283834 606865310 /nfs/dbraw/zinc/86/53/10/606865310.db2.gz FGFNUAMGUQWRSH-UHFFFAOYSA-N -1 3 394.460 3.786 20 0 GHADHM Cc1cccc(-c2nnc(SCCCOc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822283834 606865312 /nfs/dbraw/zinc/86/53/12/606865312.db2.gz FGFNUAMGUQWRSH-UHFFFAOYSA-N -1 3 394.460 3.786 20 0 GHADHM O=C(OC[C@H]1CC12CCOCC2)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823397295 606900040 /nfs/dbraw/zinc/90/00/40/606900040.db2.gz VANVWGHGFHRLEY-OAHLLOKOSA-N -1 3 390.443 3.507 20 0 GHADHM O=C(OC[C@H]1CC12CCOCC2)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823397295 606900041 /nfs/dbraw/zinc/90/00/41/606900041.db2.gz VANVWGHGFHRLEY-OAHLLOKOSA-N -1 3 390.443 3.507 20 0 GHADHM FC(F)(F)c1ccc(NCc2cn3cc(Cl)ccc3n2)c(-c2nnn[n-]2)c1 ZINC000822728399 606911753 /nfs/dbraw/zinc/91/17/53/606911753.db2.gz ICJFWAXKGHNRIH-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM FC(F)(F)c1ccc(NCc2cn3cc(Cl)ccc3n2)c(-c2nn[n-]n2)c1 ZINC000822728399 606911754 /nfs/dbraw/zinc/91/17/54/606911754.db2.gz ICJFWAXKGHNRIH-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM FC(F)(F)c1ccc(NCCCCNc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000822729201 606931585 /nfs/dbraw/zinc/93/15/85/606931585.db2.gz VSHANNHIYYNOPR-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM FC(F)(F)c1ccc(NCCCCNc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000822729201 606931587 /nfs/dbraw/zinc/93/15/87/606931587.db2.gz VSHANNHIYYNOPR-UHFFFAOYSA-N -1 3 377.374 3.585 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)cc2)nn1 ZINC000822267315 606931717 /nfs/dbraw/zinc/93/17/17/606931717.db2.gz SCGSBXMCSWDOOP-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)cc2)nn1 ZINC000822267315 606931718 /nfs/dbraw/zinc/93/17/18/606931718.db2.gz SCGSBXMCSWDOOP-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822214091 606946720 /nfs/dbraw/zinc/94/67/20/606946720.db2.gz OYESFJJLUOYHLW-HUUCEWRRSA-N -1 3 389.463 3.945 20 0 GHADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823400295 606947750 /nfs/dbraw/zinc/94/77/50/606947750.db2.gz ATAHLRFLLGNYML-ZIAGYGMSSA-N -1 3 398.385 3.548 20 0 GHADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823400295 606947751 /nfs/dbraw/zinc/94/77/51/606947751.db2.gz ATAHLRFLLGNYML-ZIAGYGMSSA-N -1 3 398.385 3.548 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238679 606947945 /nfs/dbraw/zinc/94/79/45/606947945.db2.gz QEYNQRCWUOQLBT-OAHLLOKOSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238679 606947947 /nfs/dbraw/zinc/94/79/47/606947947.db2.gz QEYNQRCWUOQLBT-OAHLLOKOSA-N -1 3 385.855 3.608 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823396477 606949161 /nfs/dbraw/zinc/94/91/61/606949161.db2.gz KCBHSQSRZIJMJT-KPKJPENVSA-N -1 3 392.202 3.530 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823396477 606949163 /nfs/dbraw/zinc/94/91/63/606949163.db2.gz KCBHSQSRZIJMJT-KPKJPENVSA-N -1 3 392.202 3.530 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140192 606951482 /nfs/dbraw/zinc/95/14/82/606951482.db2.gz RDMMDVWARIVKAY-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140192 606951484 /nfs/dbraw/zinc/95/14/84/606951484.db2.gz RDMMDVWARIVKAY-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349369 606952470 /nfs/dbraw/zinc/95/24/70/606952470.db2.gz HTFFNZKOXPWJFM-NEPJUHHUSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349369 606952472 /nfs/dbraw/zinc/95/24/72/606952472.db2.gz HTFFNZKOXPWJFM-NEPJUHHUSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@]1(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCS1 ZINC000820618800 606954220 /nfs/dbraw/zinc/95/42/20/606954220.db2.gz PCIXDDBYDJMSNR-FQEVSTJZSA-N -1 3 395.488 3.675 20 0 GHADHM C[C@@]1(CNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCS1 ZINC000820618800 606954221 /nfs/dbraw/zinc/95/42/21/606954221.db2.gz PCIXDDBYDJMSNR-FQEVSTJZSA-N -1 3 395.488 3.675 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403881 606958123 /nfs/dbraw/zinc/95/81/23/606958123.db2.gz YQGLJKDWJGWCCZ-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403881 606958124 /nfs/dbraw/zinc/95/81/24/606958124.db2.gz YQGLJKDWJGWCCZ-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569481 606960691 /nfs/dbraw/zinc/96/06/91/606960691.db2.gz LSNCEHWVZQMQOP-CHWSQXEVSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569481 606960692 /nfs/dbraw/zinc/96/06/92/606960692.db2.gz LSNCEHWVZQMQOP-CHWSQXEVSA-N -1 3 389.793 3.565 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820254741 606964010 /nfs/dbraw/zinc/96/40/10/606964010.db2.gz VZCJPFDYGFFDSK-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820254741 606964011 /nfs/dbraw/zinc/96/40/11/606964011.db2.gz VZCJPFDYGFFDSK-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000822191883 606994084 /nfs/dbraw/zinc/99/40/84/606994084.db2.gz SZQPFZACFSVVTE-GFCCVEGCSA-N -1 3 385.493 3.580 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822191883 606994086 /nfs/dbraw/zinc/99/40/86/606994086.db2.gz SZQPFZACFSVVTE-GFCCVEGCSA-N -1 3 385.493 3.580 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000823426240 607004215 /nfs/dbraw/zinc/00/42/15/607004215.db2.gz FEMCZIIIDLIUKV-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000823426240 607004218 /nfs/dbraw/zinc/00/42/18/607004218.db2.gz FEMCZIIIDLIUKV-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM Fc1ccc(CSc2nnc3sc4ccccc4n23)cc1-c1nnn[n-]1 ZINC000822773919 607005403 /nfs/dbraw/zinc/00/54/03/607005403.db2.gz AIDWMPVIGNAPSI-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Fc1ccc(CSc2nnc3sc4ccccc4n23)cc1-c1nn[n-]n1 ZINC000822773919 607005405 /nfs/dbraw/zinc/00/54/05/607005405.db2.gz AIDWMPVIGNAPSI-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H](Sc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822206096 607010500 /nfs/dbraw/zinc/01/05/00/607010500.db2.gz UNSICGONHVZTIK-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@H](Sc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822206096 607010502 /nfs/dbraw/zinc/01/05/02/607010502.db2.gz UNSICGONHVZTIK-KRWDZBQOSA-N -1 3 383.452 3.602 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000820555571 607014864 /nfs/dbraw/zinc/01/48/64/607014864.db2.gz MWGGNQKPTCCTDX-QWHCGFSZSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000820555571 607014866 /nfs/dbraw/zinc/01/48/66/607014866.db2.gz MWGGNQKPTCCTDX-QWHCGFSZSA-N -1 3 393.472 3.971 20 0 GHADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573677 607019870 /nfs/dbraw/zinc/01/98/70/607019870.db2.gz ZTRMJKUIXPOXLH-CQSZACIVSA-N -1 3 395.772 3.896 20 0 GHADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000821573677 607019872 /nfs/dbraw/zinc/01/98/72/607019872.db2.gz ZTRMJKUIXPOXLH-CQSZACIVSA-N -1 3 395.772 3.896 20 0 GHADHM Cc1ccn(-c2ccccc2NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822370161 607033398 /nfs/dbraw/zinc/03/33/98/607033398.db2.gz SEIKAXGCNYDANC-UHFFFAOYSA-N -1 3 397.389 3.574 20 0 GHADHM Cc1ccn(-c2ccccc2NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822370161 607033400 /nfs/dbraw/zinc/03/34/00/607033400.db2.gz SEIKAXGCNYDANC-UHFFFAOYSA-N -1 3 397.389 3.574 20 0 GHADHM COc1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000821798943 607076307 /nfs/dbraw/zinc/07/63/07/607076307.db2.gz UWDANNQSZJINRS-UHFFFAOYSA-N -1 3 399.454 3.781 20 0 GHADHM COc1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000821798943 607076308 /nfs/dbraw/zinc/07/63/08/607076308.db2.gz UWDANNQSZJINRS-UHFFFAOYSA-N -1 3 399.454 3.781 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000821292610 607100435 /nfs/dbraw/zinc/10/04/35/607100435.db2.gz CXZBTOLQSHIGID-ZDUSSCGKSA-N -1 3 382.443 3.645 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823308519 607141297 /nfs/dbraw/zinc/14/12/97/607141297.db2.gz CWMCJORWKXWOFF-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823308519 607141299 /nfs/dbraw/zinc/14/12/99/607141299.db2.gz CWMCJORWKXWOFF-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Br ZINC000471031538 607146232 /nfs/dbraw/zinc/14/62/32/607146232.db2.gz VOQKHYGVHKKARE-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Br ZINC000471031538 607146235 /nfs/dbraw/zinc/14/62/35/607146235.db2.gz VOQKHYGVHKKARE-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Br ZINC000118998940 607146565 /nfs/dbraw/zinc/14/65/65/607146565.db2.gz MEEFXYYCBUPBRZ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Br ZINC000118998940 607146566 /nfs/dbraw/zinc/14/65/66/607146566.db2.gz MEEFXYYCBUPBRZ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000820838218 607153258 /nfs/dbraw/zinc/15/32/58/607153258.db2.gz QKKQLPMQIVJNIB-UHFFFAOYSA-N -1 3 377.448 3.510 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000820838218 607153260 /nfs/dbraw/zinc/15/32/60/607153260.db2.gz QKKQLPMQIVJNIB-UHFFFAOYSA-N -1 3 377.448 3.510 20 0 GHADHM CCN(C(=O)Cc1ccc(F)cc1Cl)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153460 607156397 /nfs/dbraw/zinc/15/63/97/607156397.db2.gz CKXMOMXHAZMBLZ-GFCCVEGCSA-N -1 3 387.846 3.811 20 0 GHADHM CCN(C(=O)Cc1ccc(F)cc1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153460 607156398 /nfs/dbraw/zinc/15/63/98/607156398.db2.gz CKXMOMXHAZMBLZ-GFCCVEGCSA-N -1 3 387.846 3.811 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000819976314 607156647 /nfs/dbraw/zinc/15/66/47/607156647.db2.gz UHRKODGBXDAWPF-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000819976314 607156648 /nfs/dbraw/zinc/15/66/48/607156648.db2.gz UHRKODGBXDAWPF-UHFFFAOYSA-N -1 3 396.348 3.833 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823149982 607169214 /nfs/dbraw/zinc/16/92/14/607169214.db2.gz JMODHGNTTVUODL-HNNXBMFYSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823149982 607169215 /nfs/dbraw/zinc/16/92/15/607169215.db2.gz JMODHGNTTVUODL-HNNXBMFYSA-N -1 3 399.401 3.967 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccc(F)cc1 ZINC000821565407 607169962 /nfs/dbraw/zinc/16/99/62/607169962.db2.gz RJTDKDQVQRVITA-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccc(F)cc1 ZINC000821565407 607169963 /nfs/dbraw/zinc/16/99/63/607169963.db2.gz RJTDKDQVQRVITA-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM Fc1ccc(CCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1F ZINC000822766279 607172385 /nfs/dbraw/zinc/17/23/85/607172385.db2.gz HIQLWZBAMQKXKC-UHFFFAOYSA-N -1 3 394.385 3.987 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820548743 607189915 /nfs/dbraw/zinc/18/99/15/607189915.db2.gz GJXRWBBMXFAMKU-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820548743 607189916 /nfs/dbraw/zinc/18/99/16/607189916.db2.gz GJXRWBBMXFAMKU-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCO[C@H](c2ccccc2)C1 ZINC000823313856 607201152 /nfs/dbraw/zinc/20/11/52/607201152.db2.gz KFZPNWPAFHXBLT-KRWDZBQOSA-N -1 3 398.854 3.516 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCO[C@H](c2ccccc2)C1 ZINC000823313856 607201153 /nfs/dbraw/zinc/20/11/53/607201153.db2.gz KFZPNWPAFHXBLT-KRWDZBQOSA-N -1 3 398.854 3.516 20 0 GHADHM O=C(NCc1ccccc1OC1CCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261880 607201167 /nfs/dbraw/zinc/20/11/67/607201167.db2.gz VOOBFCGZVCCCQU-UHFFFAOYSA-N -1 3 398.854 3.773 20 0 GHADHM O=C(NCc1ccccc1OC1CCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261880 607201168 /nfs/dbraw/zinc/20/11/68/607201168.db2.gz VOOBFCGZVCCCQU-UHFFFAOYSA-N -1 3 398.854 3.773 20 0 GHADHM O=C(NCCc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224003 607202709 /nfs/dbraw/zinc/20/27/09/607202709.db2.gz ORJHXNJBQRWNJK-UHFFFAOYSA-N -1 3 377.235 3.538 20 0 GHADHM O=C(NCCc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224003 607202710 /nfs/dbraw/zinc/20/27/10/607202710.db2.gz ORJHXNJBQRWNJK-UHFFFAOYSA-N -1 3 377.235 3.538 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000821777561 607203692 /nfs/dbraw/zinc/20/36/92/607203692.db2.gz IEOBSWHFQUNYSE-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000821777561 607203693 /nfs/dbraw/zinc/20/36/93/607203693.db2.gz IEOBSWHFQUNYSE-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1cn2cc(Cl)ccc2n1 ZINC000822723813 607227541 /nfs/dbraw/zinc/22/75/41/607227541.db2.gz PKEJGGSEIYBVSG-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1cn2cc(Cl)ccc2n1 ZINC000822723813 607227542 /nfs/dbraw/zinc/22/75/42/607227542.db2.gz PKEJGGSEIYBVSG-UHFFFAOYSA-N -1 3 393.760 3.799 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2c1 ZINC000820402727 607231276 /nfs/dbraw/zinc/23/12/76/607231276.db2.gz FOTADHNVAFYYKN-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc2ccccc2c1 ZINC000820402727 607231277 /nfs/dbraw/zinc/23/12/77/607231277.db2.gz FOTADHNVAFYYKN-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(-c2ccco2)s1 ZINC000823387228 607235984 /nfs/dbraw/zinc/23/59/84/607235984.db2.gz GJNFIFJAFJIWAQ-UHFFFAOYSA-N -1 3 383.458 3.991 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(-c2ccco2)s1 ZINC000823387228 607235985 /nfs/dbraw/zinc/23/59/85/607235985.db2.gz GJNFIFJAFJIWAQ-UHFFFAOYSA-N -1 3 383.458 3.991 20 0 GHADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574335 607238811 /nfs/dbraw/zinc/23/88/11/607238811.db2.gz BRAKTJUWENCLAA-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574335 607238812 /nfs/dbraw/zinc/23/88/12/607238812.db2.gz BRAKTJUWENCLAA-UHFFFAOYSA-N -1 3 399.735 3.955 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Cl)nc2ccccc21 ZINC000823318948 607242598 /nfs/dbraw/zinc/24/25/98/607242598.db2.gz NTXGUFTWOGSNLV-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Cl)nc2ccccc21 ZINC000823318948 607242599 /nfs/dbraw/zinc/24/25/99/607242599.db2.gz NTXGUFTWOGSNLV-UHFFFAOYSA-N -1 3 385.214 3.974 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823049948 607247460 /nfs/dbraw/zinc/24/74/60/607247460.db2.gz NSUWXKAOBAFXLY-UHFFFAOYSA-N -1 3 390.374 3.657 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823049948 607247461 /nfs/dbraw/zinc/24/74/61/607247461.db2.gz NSUWXKAOBAFXLY-UHFFFAOYSA-N -1 3 390.374 3.657 20 0 GHADHM c1cc2c(ncnc2Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)s1 ZINC000826526619 607781305 /nfs/dbraw/zinc/78/13/05/607781305.db2.gz FPABEPAYVMIZQK-UHFFFAOYSA-N -1 3 392.473 3.662 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826191860 607787690 /nfs/dbraw/zinc/78/76/90/607787690.db2.gz RXUFVABRTPJNOE-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826191860 607787691 /nfs/dbraw/zinc/78/76/91/607787691.db2.gz RXUFVABRTPJNOE-UHFFFAOYSA-N -1 3 379.464 3.641 20 0 GHADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000824040688 607789606 /nfs/dbraw/zinc/78/96/06/607789606.db2.gz SXJSFNINGYEAHW-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000824040688 607789607 /nfs/dbraw/zinc/78/96/07/607789607.db2.gz SXJSFNINGYEAHW-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825811843 607790470 /nfs/dbraw/zinc/79/04/70/607790470.db2.gz CKTLWTXQXQGSFG-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825811843 607790471 /nfs/dbraw/zinc/79/04/71/607790471.db2.gz CKTLWTXQXQGSFG-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(CC1CCCCC1)c1ccccn1 ZINC000826408068 607791818 /nfs/dbraw/zinc/79/18/18/607791818.db2.gz OJKOLAZYOIHLIW-UHFFFAOYSA-N -1 3 390.491 3.808 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(CC1CCCCC1)c1ccccn1 ZINC000826408068 607791819 /nfs/dbraw/zinc/79/18/19/607791819.db2.gz OJKOLAZYOIHLIW-UHFFFAOYSA-N -1 3 390.491 3.808 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000825972038 607794034 /nfs/dbraw/zinc/79/40/34/607794034.db2.gz SKEGRRQRSBCYIN-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000825972038 607794035 /nfs/dbraw/zinc/79/40/35/607794035.db2.gz SKEGRRQRSBCYIN-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)c1ccccc1-c1nnn[n-]1 ZINC000825820589 607801315 /nfs/dbraw/zinc/80/13/15/607801315.db2.gz LUGALEFCCFTTNF-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)c1ccccc1-c1nn[n-]n1 ZINC000825820589 607801316 /nfs/dbraw/zinc/80/13/16/607801316.db2.gz LUGALEFCCFTTNF-UHFFFAOYSA-N -1 3 383.411 3.972 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1CC2(CC(F)C2)C1 ZINC000826474666 607807530 /nfs/dbraw/zinc/80/75/30/607807530.db2.gz ZJZDSKLLMWWSSM-UHFFFAOYSA-N -1 3 395.463 3.592 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1CC2(CC(F)C2)C1 ZINC000826474666 607807531 /nfs/dbraw/zinc/80/75/31/607807531.db2.gz ZJZDSKLLMWWSSM-UHFFFAOYSA-N -1 3 395.463 3.592 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cncc(SCc2ccccc2)n1 ZINC000826373265 607819512 /nfs/dbraw/zinc/81/95/12/607819512.db2.gz GITCOFGZFCLRFY-UHFFFAOYSA-N -1 3 393.451 3.700 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cncc(SCc2ccccc2)n1 ZINC000826373265 607819513 /nfs/dbraw/zinc/81/95/13/607819513.db2.gz GITCOFGZFCLRFY-UHFFFAOYSA-N -1 3 393.451 3.700 20 0 GHADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826287917 607833311 /nfs/dbraw/zinc/83/33/11/607833311.db2.gz JGCSGIXXWYKNGB-UHFFFAOYSA-N -1 3 380.210 3.551 20 0 GHADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826287917 607833312 /nfs/dbraw/zinc/83/33/12/607833312.db2.gz JGCSGIXXWYKNGB-UHFFFAOYSA-N -1 3 380.210 3.551 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(CCc2ccccc2)no1 ZINC000826351063 607843980 /nfs/dbraw/zinc/84/39/80/607843980.db2.gz WBIJQESOAXBBHS-UHFFFAOYSA-N -1 3 398.879 3.981 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(CCc2ccccc2)no1 ZINC000826351063 607843981 /nfs/dbraw/zinc/84/39/81/607843981.db2.gz WBIJQESOAXBBHS-UHFFFAOYSA-N -1 3 398.879 3.981 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccc(F)cc1F ZINC000826420807 607844127 /nfs/dbraw/zinc/84/41/27/607844127.db2.gz DDQBUBITHONFKP-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc(F)cc1F ZINC000826420807 607844128 /nfs/dbraw/zinc/84/41/28/607844128.db2.gz DDQBUBITHONFKP-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824507013 607857865 /nfs/dbraw/zinc/85/78/65/607857865.db2.gz RULOXFQGROCUDK-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1cccnc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824507013 607857866 /nfs/dbraw/zinc/85/78/66/607857866.db2.gz RULOXFQGROCUDK-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379898 607879010 /nfs/dbraw/zinc/87/90/10/607879010.db2.gz LPILSHBSADNAKA-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379898 607879011 /nfs/dbraw/zinc/87/90/11/607879011.db2.gz LPILSHBSADNAKA-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CCN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385441 607879043 /nfs/dbraw/zinc/87/90/43/607879043.db2.gz GCPSMATYUOFKPW-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM CCN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385441 607879044 /nfs/dbraw/zinc/87/90/44/607879044.db2.gz GCPSMATYUOFKPW-UHFFFAOYSA-N -1 3 397.653 3.889 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825605095 607879322 /nfs/dbraw/zinc/87/93/22/607879322.db2.gz PVYFUWJIXRCVCQ-UHFFFAOYSA-N -1 3 389.818 3.725 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825605095 607879323 /nfs/dbraw/zinc/87/93/23/607879323.db2.gz PVYFUWJIXRCVCQ-UHFFFAOYSA-N -1 3 389.818 3.725 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1=C(C)OCCC1 ZINC000824851705 607885989 /nfs/dbraw/zinc/88/59/89/607885989.db2.gz DBEZWABMUGXEMF-UHFFFAOYSA-N -1 3 391.431 3.990 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1=C(C)OCCC1 ZINC000824851705 607885990 /nfs/dbraw/zinc/88/59/90/607885990.db2.gz DBEZWABMUGXEMF-UHFFFAOYSA-N -1 3 391.431 3.990 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826243864 607913221 /nfs/dbraw/zinc/91/32/21/607913221.db2.gz YMBSTGGTXBVAIL-CYBMUJFWSA-N -1 3 384.509 3.897 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826243864 607913222 /nfs/dbraw/zinc/91/32/22/607913222.db2.gz YMBSTGGTXBVAIL-CYBMUJFWSA-N -1 3 384.509 3.897 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000825829386 607917970 /nfs/dbraw/zinc/91/79/70/607917970.db2.gz DNDUTEKAAKRYKH-AWEZNQCLSA-N -1 3 397.529 3.595 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000825829386 607917971 /nfs/dbraw/zinc/91/79/71/607917971.db2.gz DNDUTEKAAKRYKH-AWEZNQCLSA-N -1 3 397.529 3.595 20 0 GHADHM CN(C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCSC1 ZINC000825820670 607918008 /nfs/dbraw/zinc/91/80/08/607918008.db2.gz OMVBIVJPSXPDAS-OAHLLOKOSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCSC1 ZINC000825820670 607918009 /nfs/dbraw/zinc/91/80/09/607918009.db2.gz OMVBIVJPSXPDAS-OAHLLOKOSA-N -1 3 396.476 3.628 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826451555 607931963 /nfs/dbraw/zinc/93/19/63/607931963.db2.gz LPZAYBCJLJRMJP-UHFFFAOYSA-N -1 3 375.219 3.768 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826451555 607931964 /nfs/dbraw/zinc/93/19/64/607931964.db2.gz LPZAYBCJLJRMJP-UHFFFAOYSA-N -1 3 375.219 3.768 20 0 GHADHM CS[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224630 607937504 /nfs/dbraw/zinc/93/75/04/607937504.db2.gz IXFYFLORMOPLDD-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM CS[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224630 607937505 /nfs/dbraw/zinc/93/75/05/607937505.db2.gz IXFYFLORMOPLDD-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408557 607947486 /nfs/dbraw/zinc/94/74/86/607947486.db2.gz LNKNMZLDEIQPHM-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408557 607947487 /nfs/dbraw/zinc/94/74/87/607947487.db2.gz LNKNMZLDEIQPHM-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM Cc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2)n1[C@H]1CCC[C@H](C)C1 ZINC000826336589 607965682 /nfs/dbraw/zinc/96/56/82/607965682.db2.gz FDBYZGCJGJSYRR-BBRMVZONSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337691 607966156 /nfs/dbraw/zinc/96/61/56/607966156.db2.gz XPUCXRTYJSCQLF-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337691 607966157 /nfs/dbraw/zinc/96/61/57/607966157.db2.gz XPUCXRTYJSCQLF-IAQYHMDHSA-N -1 3 387.488 3.949 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000824323791 607978472 /nfs/dbraw/zinc/97/84/72/607978472.db2.gz BNKMJGGUIPPCHA-UHFFFAOYSA-N -1 3 395.467 3.677 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000824347476 607990998 /nfs/dbraw/zinc/99/09/98/607990998.db2.gz BECABHUDLSYLQK-KRWDZBQOSA-N -1 3 396.520 3.827 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000824347476 607990999 /nfs/dbraw/zinc/99/09/99/607990999.db2.gz BECABHUDLSYLQK-KRWDZBQOSA-N -1 3 396.520 3.827 20 0 GHADHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177828 607995411 /nfs/dbraw/zinc/99/54/11/607995411.db2.gz XHDOPSILTINCJW-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177828 607995412 /nfs/dbraw/zinc/99/54/12/607995412.db2.gz XHDOPSILTINCJW-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CCC(F)(F)CC1 ZINC000826459236 608000290 /nfs/dbraw/zinc/00/02/90/608000290.db2.gz AWFUIORNCYDUAX-UHFFFAOYSA-N -1 3 390.419 3.754 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CCC(F)(F)CC1 ZINC000826459236 608000291 /nfs/dbraw/zinc/00/02/91/608000291.db2.gz AWFUIORNCYDUAX-UHFFFAOYSA-N -1 3 390.419 3.754 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C(F)F ZINC000824284895 608006051 /nfs/dbraw/zinc/00/60/51/608006051.db2.gz RJHASWHIIATERD-UHFFFAOYSA-N -1 3 395.801 3.563 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C(F)F ZINC000824284895 608006052 /nfs/dbraw/zinc/00/60/52/608006052.db2.gz RJHASWHIIATERD-UHFFFAOYSA-N -1 3 395.801 3.563 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347681 608008199 /nfs/dbraw/zinc/00/81/99/608008199.db2.gz KFZYFGPBNRSURI-FQEVSTJZSA-N -1 3 375.476 3.896 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347681 608008200 /nfs/dbraw/zinc/00/82/00/608008200.db2.gz KFZYFGPBNRSURI-FQEVSTJZSA-N -1 3 375.476 3.896 20 0 GHADHM COCCCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826156331 608019044 /nfs/dbraw/zinc/01/90/44/608019044.db2.gz YMPUMSUYOGQAQK-UHFFFAOYSA-N -1 3 387.871 3.938 20 0 GHADHM COCCCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826156331 608019045 /nfs/dbraw/zinc/01/90/45/608019045.db2.gz YMPUMSUYOGQAQK-UHFFFAOYSA-N -1 3 387.871 3.938 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3scnc3C3CC3)c2-c2nnn[n-]2)C1 ZINC000824970898 608024180 /nfs/dbraw/zinc/02/41/80/608024180.db2.gz YSTKJGBFDOOSNG-QMMMGPOBSA-N -1 3 386.506 3.639 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3scnc3C3CC3)c2-c2nn[n-]n2)C1 ZINC000824970898 608024181 /nfs/dbraw/zinc/02/41/81/608024181.db2.gz YSTKJGBFDOOSNG-QMMMGPOBSA-N -1 3 386.506 3.639 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnn([C@@H](C)CC)c1C1CC1 ZINC000825627407 608025959 /nfs/dbraw/zinc/02/59/59/608025959.db2.gz YRFUSCTURJJQBX-LBPRGKRZSA-N -1 3 395.467 3.563 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn([C@@H](C)CC)c1C1CC1 ZINC000825627407 608025960 /nfs/dbraw/zinc/02/59/60/608025960.db2.gz YRFUSCTURJJQBX-LBPRGKRZSA-N -1 3 395.467 3.563 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824864307 608028693 /nfs/dbraw/zinc/02/86/93/608028693.db2.gz AFEIBEWEARIFNJ-KBXCAEBGSA-N -1 3 390.443 3.582 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824864307 608028694 /nfs/dbraw/zinc/02/86/94/608028694.db2.gz AFEIBEWEARIFNJ-KBXCAEBGSA-N -1 3 390.443 3.582 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1scnc1C1CC1 ZINC000826459930 608029994 /nfs/dbraw/zinc/02/99/94/608029994.db2.gz GBQCZWOGYUIXLA-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1scnc1C1CC1 ZINC000826459930 608029995 /nfs/dbraw/zinc/02/99/95/608029995.db2.gz GBQCZWOGYUIXLA-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc[nH]1 ZINC000824507073 608031116 /nfs/dbraw/zinc/03/11/16/608031116.db2.gz SQEHXJCDNKBXNK-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc[nH]1 ZINC000824507073 608031117 /nfs/dbraw/zinc/03/11/17/608031117.db2.gz SQEHXJCDNKBXNK-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000826408375 608031417 /nfs/dbraw/zinc/03/14/17/608031417.db2.gz CVVANYSAJNMLLA-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000826408375 608031418 /nfs/dbraw/zinc/03/14/18/608031418.db2.gz CVVANYSAJNMLLA-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000119635933 608047132 /nfs/dbraw/zinc/04/71/32/608047132.db2.gz XPMYVWCMDNTSOW-OAHLLOKOSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000119635933 608047133 /nfs/dbraw/zinc/04/71/33/608047133.db2.gz XPMYVWCMDNTSOW-OAHLLOKOSA-N -1 3 397.438 3.840 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NCCCc1nc2ccccc2[nH]1 ZINC000823826310 608048524 /nfs/dbraw/zinc/04/85/24/608048524.db2.gz HKCLWAVJGAHPEZ-UHFFFAOYSA-N -1 3 398.268 3.550 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2ccccc2cc1OC(F)F ZINC000826456901 608059289 /nfs/dbraw/zinc/05/92/89/608059289.db2.gz DCVHPWIMFDXKSI-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2ccccc2cc1OC(F)F ZINC000826456901 608059290 /nfs/dbraw/zinc/05/92/90/608059290.db2.gz DCVHPWIMFDXKSI-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(Nc1cnoc1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826459419 608060753 /nfs/dbraw/zinc/06/07/53/608060753.db2.gz IVFMJLJUDYMJDD-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM O=C(Nc1cnoc1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826459419 608060754 /nfs/dbraw/zinc/06/07/54/608060754.db2.gz IVFMJLJUDYMJDD-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM Clc1cccc2c1CC[C@@H]2N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353370 608071066 /nfs/dbraw/zinc/07/10/66/608071066.db2.gz MNNRTUIFNOIEGR-RBUKOAKNSA-N -1 3 381.867 3.581 20 0 GHADHM CCCCC1CCC(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000825266217 608084535 /nfs/dbraw/zinc/08/45/35/608084535.db2.gz DFTBPDJSNGUUEK-LBXVMSDZSA-N -1 3 397.523 3.763 20 0 GHADHM CCCCC1CCC(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825266217 608084536 /nfs/dbraw/zinc/08/45/36/608084536.db2.gz DFTBPDJSNGUUEK-LBXVMSDZSA-N -1 3 397.523 3.763 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824764387 608104212 /nfs/dbraw/zinc/10/42/12/608104212.db2.gz VXIBKZMXUSCVDG-NSHDSACASA-N -1 3 397.485 3.700 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824764387 608104213 /nfs/dbraw/zinc/10/42/13/608104213.db2.gz VXIBKZMXUSCVDG-NSHDSACASA-N -1 3 397.485 3.700 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082331 608106305 /nfs/dbraw/zinc/10/63/05/608106305.db2.gz RZAJTTPDNMZYCH-SNVBAGLBSA-N -1 3 384.419 3.695 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082331 608106306 /nfs/dbraw/zinc/10/63/06/608106306.db2.gz RZAJTTPDNMZYCH-SNVBAGLBSA-N -1 3 384.419 3.695 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CCC2 ZINC000824347556 608108001 /nfs/dbraw/zinc/10/80/01/608108001.db2.gz DDKBBCPCTXIKHK-QGZVFWFLSA-N -1 3 396.882 3.846 20 0 GHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CCC2 ZINC000824347556 608108002 /nfs/dbraw/zinc/10/80/02/608108002.db2.gz DDKBBCPCTXIKHK-QGZVFWFLSA-N -1 3 396.882 3.846 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccc(Cl)cc1 ZINC000825796944 608109353 /nfs/dbraw/zinc/10/93/53/608109353.db2.gz QTZSOHOENYJNGO-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccc(Cl)cc1 ZINC000825796944 608109354 /nfs/dbraw/zinc/10/93/54/608109354.db2.gz QTZSOHOENYJNGO-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000824255788 608119575 /nfs/dbraw/zinc/11/95/75/608119575.db2.gz XZZVXHMWMLAFBW-AWEZNQCLSA-N -1 3 399.445 3.933 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000824255788 608119576 /nfs/dbraw/zinc/11/95/76/608119576.db2.gz XZZVXHMWMLAFBW-AWEZNQCLSA-N -1 3 399.445 3.933 20 0 GHADHM Cc1cc(C)cc([C@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826264689 608124325 /nfs/dbraw/zinc/12/43/25/608124325.db2.gz WVYFRPFBQPSOFP-KRWDZBQOSA-N -1 3 390.365 3.873 20 0 GHADHM Cc1cc(C)cc([C@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826264689 608124326 /nfs/dbraw/zinc/12/43/26/608124326.db2.gz WVYFRPFBQPSOFP-KRWDZBQOSA-N -1 3 390.365 3.873 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCC(F)(F)F ZINC000825604252 608150028 /nfs/dbraw/zinc/15/00/28/608150028.db2.gz GEONNAQBCWPSIF-UHFFFAOYSA-N -1 3 378.738 3.557 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCC(F)(F)F ZINC000825604252 608150029 /nfs/dbraw/zinc/15/00/29/608150029.db2.gz GEONNAQBCWPSIF-UHFFFAOYSA-N -1 3 378.738 3.557 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000824347723 608156762 /nfs/dbraw/zinc/15/67/62/608156762.db2.gz LOYYCRVJXCEAHJ-ARJAWSKDSA-N -1 3 379.439 3.849 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000824347723 608156764 /nfs/dbraw/zinc/15/67/64/608156764.db2.gz LOYYCRVJXCEAHJ-ARJAWSKDSA-N -1 3 379.439 3.849 20 0 GHADHM CN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812303 608158833 /nfs/dbraw/zinc/15/88/33/608158833.db2.gz KDIJZWWFNIUURR-UHFFFAOYSA-N -1 3 385.830 3.645 20 0 GHADHM CN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812303 608158834 /nfs/dbraw/zinc/15/88/34/608158834.db2.gz KDIJZWWFNIUURR-UHFFFAOYSA-N -1 3 385.830 3.645 20 0 GHADHM Clc1nsc(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)c1-c1nnn[n-]1 ZINC000826351505 608173994 /nfs/dbraw/zinc/17/39/94/608173994.db2.gz PCZPREVCIBZWSX-UHFFFAOYSA-N -1 3 397.276 3.566 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000825788569 608177282 /nfs/dbraw/zinc/17/72/82/608177282.db2.gz RLMUBFYBRLICLD-AWEZNQCLSA-N -1 3 389.463 3.759 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000825788569 608177285 /nfs/dbraw/zinc/17/72/85/608177285.db2.gz RLMUBFYBRLICLD-AWEZNQCLSA-N -1 3 389.463 3.759 20 0 GHADHM Clc1cccc(SCc2nc(-c3cccs3)no2)c1-c1nnn[n-]1 ZINC000826353280 608207642 /nfs/dbraw/zinc/20/76/42/608207642.db2.gz IZSIABROFLCMRG-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cccc(SCc2nc(-c3cccs3)no2)c1-c1nn[n-]n1 ZINC000826353280 608207644 /nfs/dbraw/zinc/20/76/44/608207644.db2.gz IZSIABROFLCMRG-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000826189740 608239086 /nfs/dbraw/zinc/23/90/86/608239086.db2.gz DEAUXTVGJFLLQR-ORAYPTAESA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000826189740 608239087 /nfs/dbraw/zinc/23/90/87/608239087.db2.gz DEAUXTVGJFLLQR-ORAYPTAESA-N -1 3 390.447 3.612 20 0 GHADHM Cc1cnc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000826318249 608251832 /nfs/dbraw/zinc/25/18/32/608251832.db2.gz ACDNYOUOTYQXPV-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cnc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000826318249 608251834 /nfs/dbraw/zinc/25/18/34/608251834.db2.gz ACDNYOUOTYQXPV-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(C)ccc1OC ZINC000825153779 608272336 /nfs/dbraw/zinc/27/23/36/608272336.db2.gz JTKKRILFALWCFZ-HNNXBMFYSA-N -1 3 388.374 3.770 20 0 GHADHM CC[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(C)ccc1OC ZINC000825153779 608272338 /nfs/dbraw/zinc/27/23/38/608272338.db2.gz JTKKRILFALWCFZ-HNNXBMFYSA-N -1 3 388.374 3.770 20 0 GHADHM CCc1c(C)sc(NC(=O)C=Cc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000825687575 608305095 /nfs/dbraw/zinc/30/50/95/608305095.db2.gz JKEIZHRWTPMOCY-FNORWQNLSA-N -1 3 378.461 3.932 20 0 GHADHM CCc1c(C)sc(NC(=O)C=Cc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000825687575 608305097 /nfs/dbraw/zinc/30/50/97/608305097.db2.gz JKEIZHRWTPMOCY-FNORWQNLSA-N -1 3 378.461 3.932 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)C1 ZINC000824928813 608310429 /nfs/dbraw/zinc/31/04/29/608310429.db2.gz UVHZZLHDEUMWFG-IRXDYDNUSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)C1 ZINC000824928813 608310431 /nfs/dbraw/zinc/31/04/31/608310431.db2.gz UVHZZLHDEUMWFG-IRXDYDNUSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC[C@@H]1C ZINC000824955913 608313032 /nfs/dbraw/zinc/31/30/32/608313032.db2.gz PHPGNALDGYQNGH-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC[C@@H]1C ZINC000824955913 608313033 /nfs/dbraw/zinc/31/30/33/608313033.db2.gz PHPGNALDGYQNGH-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC[C@@H]1C ZINC000824957603 608313231 /nfs/dbraw/zinc/31/32/31/608313231.db2.gz XZMFUCQXNYNWJG-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC[C@@H]1C ZINC000824957603 608313233 /nfs/dbraw/zinc/31/32/33/608313233.db2.gz XZMFUCQXNYNWJG-GJZGRUSLSA-N -1 3 377.448 3.777 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccc2cc[nH]c21 ZINC000826440924 608330523 /nfs/dbraw/zinc/33/05/23/608330523.db2.gz GBUNAIXLQQUBQF-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccc2cc[nH]c21 ZINC000826440924 608330525 /nfs/dbraw/zinc/33/05/25/608330525.db2.gz GBUNAIXLQQUBQF-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385458 608345712 /nfs/dbraw/zinc/34/57/12/608345712.db2.gz GTRPVILIXKUWLC-HNNXBMFYSA-N -1 3 397.866 3.691 20 0 GHADHM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385458 608345714 /nfs/dbraw/zinc/34/57/14/608345714.db2.gz GTRPVILIXKUWLC-HNNXBMFYSA-N -1 3 397.866 3.691 20 0 GHADHM O=C(CNc1c(F)cc(Cl)cc1F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826413024 608389488 /nfs/dbraw/zinc/38/94/88/608389488.db2.gz NLKIBGRECQQWRM-UHFFFAOYSA-N -1 3 399.188 3.502 20 0 GHADHM O=C(CNc1c(F)cc(Cl)cc1F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826413024 608389490 /nfs/dbraw/zinc/38/94/90/608389490.db2.gz NLKIBGRECQQWRM-UHFFFAOYSA-N -1 3 399.188 3.502 20 0 GHADHM Fc1c(CSc2nnc(CCCc3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000826371868 608397301 /nfs/dbraw/zinc/39/73/01/608397301.db2.gz XGYMURICCKMOIG-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Fc1c(CSc2nnc(CCCc3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000826371868 608397303 /nfs/dbraw/zinc/39/73/03/608397303.db2.gz XGYMURICCKMOIG-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1csc(-c2cccs2)n1 ZINC000826466467 608440825 /nfs/dbraw/zinc/44/08/25/608440825.db2.gz DVYWHJAKXILRLP-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1csc(-c2cccs2)n1 ZINC000826466467 608440827 /nfs/dbraw/zinc/44/08/27/608440827.db2.gz DVYWHJAKXILRLP-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM CCOc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825643039 608468587 /nfs/dbraw/zinc/46/85/87/608468587.db2.gz GLZPIGGUMWGIBG-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM CCOc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825643039 608468589 /nfs/dbraw/zinc/46/85/89/608468589.db2.gz GLZPIGGUMWGIBG-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM COc1cc(C)ccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826178213 608470887 /nfs/dbraw/zinc/47/08/87/608470887.db2.gz OBHBUEBOKFRNCH-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM COc1cc(C)ccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826178213 608470888 /nfs/dbraw/zinc/47/08/88/608470888.db2.gz OBHBUEBOKFRNCH-UHFFFAOYSA-N -1 3 390.447 3.505 20 0 GHADHM O=C(Nc1nc(C2CC2)cs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826460024 608471655 /nfs/dbraw/zinc/47/16/55/608471655.db2.gz KCYIJLJWFMQKMK-UHFFFAOYSA-N -1 3 393.476 3.522 20 0 GHADHM O=C(Nc1nc(C2CC2)cs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826460024 608471657 /nfs/dbraw/zinc/47/16/57/608471657.db2.gz KCYIJLJWFMQKMK-UHFFFAOYSA-N -1 3 393.476 3.522 20 0 GHADHM Cc1cc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1F ZINC000826270036 608472843 /nfs/dbraw/zinc/47/28/43/608472843.db2.gz IIZVSLOFINOOTK-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1F ZINC000826270036 608472845 /nfs/dbraw/zinc/47/28/45/608472845.db2.gz IIZVSLOFINOOTK-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306190 608478514 /nfs/dbraw/zinc/47/85/14/608478514.db2.gz SITDKCOYQSPDOC-QGZVFWFLSA-N -1 3 387.487 3.985 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826306190 608478515 /nfs/dbraw/zinc/47/85/15/608478515.db2.gz SITDKCOYQSPDOC-QGZVFWFLSA-N -1 3 387.487 3.985 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824728390 608479858 /nfs/dbraw/zinc/47/98/58/608479858.db2.gz FRJVHCNXEAZESP-MRXNPFEDSA-N -1 3 395.507 3.610 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824728390 608479860 /nfs/dbraw/zinc/47/98/60/608479860.db2.gz FRJVHCNXEAZESP-MRXNPFEDSA-N -1 3 395.507 3.610 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404482 608483536 /nfs/dbraw/zinc/48/35/36/608483536.db2.gz BVWRDMKEFZWJLL-KRWDZBQOSA-N -1 3 399.498 3.678 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404482 608483537 /nfs/dbraw/zinc/48/35/37/608483537.db2.gz BVWRDMKEFZWJLL-KRWDZBQOSA-N -1 3 399.498 3.678 20 0 GHADHM O=C(/C=C/Sc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399758 608483560 /nfs/dbraw/zinc/48/35/60/608483560.db2.gz FJYBZLCPDNZPCP-NTCAYCPXSA-N -1 3 389.484 3.788 20 0 GHADHM O=C(/C=C/Sc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399758 608483561 /nfs/dbraw/zinc/48/35/61/608483561.db2.gz FJYBZLCPDNZPCP-NTCAYCPXSA-N -1 3 389.484 3.788 20 0 GHADHM O=C(c1cc2cccc(F)c2o1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470714 608485453 /nfs/dbraw/zinc/48/54/53/608485453.db2.gz ZRJHITMALCIVSY-UHFFFAOYSA-N -1 3 389.390 3.682 20 0 GHADHM O=C(c1cc2cccc(F)c2o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470714 608485454 /nfs/dbraw/zinc/48/54/54/608485454.db2.gz ZRJHITMALCIVSY-UHFFFAOYSA-N -1 3 389.390 3.682 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404836 608487296 /nfs/dbraw/zinc/48/72/96/608487296.db2.gz MPYCIKXXQIBWLJ-UPHRSURJSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404836 608487297 /nfs/dbraw/zinc/48/72/97/608487297.db2.gz MPYCIKXXQIBWLJ-UPHRSURJSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc(F)cc2cccnc21 ZINC000826460929 608494815 /nfs/dbraw/zinc/49/48/15/608494815.db2.gz YGBQNVPRSWCLRC-UHFFFAOYSA-N -1 3 394.435 3.747 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc(F)cc2cccnc21 ZINC000826460929 608494816 /nfs/dbraw/zinc/49/48/16/608494816.db2.gz YGBQNVPRSWCLRC-UHFFFAOYSA-N -1 3 394.435 3.747 20 0 GHADHM Fc1cc(F)c(F)c(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1F ZINC000826372784 608524056 /nfs/dbraw/zinc/52/40/56/608524056.db2.gz LPDBCGVQTCSBNW-HNNXBMFYSA-N -1 3 377.345 3.590 20 0 GHADHM Cc1ccc(-c2nc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)cs2)o1 ZINC000826273427 608532595 /nfs/dbraw/zinc/53/25/95/608532595.db2.gz CVRCBBALKNHWGZ-UHFFFAOYSA-N -1 3 378.461 3.671 20 0 GHADHM Cc1ccc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)cs2)o1 ZINC000826273427 608532596 /nfs/dbraw/zinc/53/25/96/608532596.db2.gz CVRCBBALKNHWGZ-UHFFFAOYSA-N -1 3 378.461 3.671 20 0 GHADHM Fc1ccc(CNc2cccc3c2CN(c2ccccn2)C3)cc1-c1nnn[n-]1 ZINC000826374850 608543011 /nfs/dbraw/zinc/54/30/11/608543011.db2.gz ODVORRSFVQDLSY-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM Fc1ccc(CNc2cccc3c2CN(c2ccccn2)C3)cc1-c1nn[n-]n1 ZINC000826374850 608543013 /nfs/dbraw/zinc/54/30/13/608543013.db2.gz ODVORRSFVQDLSY-UHFFFAOYSA-N -1 3 387.422 3.533 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000826472944 608577503 /nfs/dbraw/zinc/57/75/03/608577503.db2.gz DFKRXKLWNJJBEX-CYBMUJFWSA-N -1 3 399.907 3.775 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000826472944 608577504 /nfs/dbraw/zinc/57/75/04/608577504.db2.gz DFKRXKLWNJJBEX-CYBMUJFWSA-N -1 3 399.907 3.775 20 0 GHADHM Cc1ccc(C(=O)C2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)c(C)c1 ZINC000826281562 608590315 /nfs/dbraw/zinc/59/03/15/608590315.db2.gz ZFDZGXYNMWFSEB-UHFFFAOYSA-N -1 3 381.505 3.640 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)c1F ZINC000826299774 608591719 /nfs/dbraw/zinc/59/17/19/608591719.db2.gz USELVRVOVXSRTN-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)c1F ZINC000826299774 608591721 /nfs/dbraw/zinc/59/17/21/608591721.db2.gz USELVRVOVXSRTN-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Fc1c(CSc2nnc(NCc3ccccc3)s2)cccc1-c1nnn[n-]1 ZINC000826371612 608670242 /nfs/dbraw/zinc/67/02/42/608670242.db2.gz MMTUCPBMTDVJDH-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1c(CSc2nnc(NCc3ccccc3)s2)cccc1-c1nn[n-]n1 ZINC000826371612 608670243 /nfs/dbraw/zinc/67/02/43/608670243.db2.gz MMTUCPBMTDVJDH-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Clc1ccc([C@H]2CSCCN2Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826351618 608714159 /nfs/dbraw/zinc/71/41/59/608714159.db2.gz SWACFFSSSMEQOB-OAHLLOKOSA-N -1 3 377.926 3.872 20 0 GHADHM Clc1ccc([C@H]2CSCCN2Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826351618 608714160 /nfs/dbraw/zinc/71/41/60/608714160.db2.gz SWACFFSSSMEQOB-OAHLLOKOSA-N -1 3 377.926 3.872 20 0 GHADHM C[C@H](CNc1cnccc1-c1nnn[n-]1)Sc1ccc(Br)cc1 ZINC000824433781 608783161 /nfs/dbraw/zinc/78/31/61/608783161.db2.gz HNVHXMZKANSKGF-SNVBAGLBSA-N -1 3 391.298 3.617 20 0 GHADHM C[C@H](CNc1cnccc1-c1nn[n-]n1)Sc1ccc(Br)cc1 ZINC000824433781 608783164 /nfs/dbraw/zinc/78/31/64/608783164.db2.gz HNVHXMZKANSKGF-SNVBAGLBSA-N -1 3 391.298 3.617 20 0 GHADHM Clc1ccc(-c2nc(CCNc3cnccc3-c3nnn[n-]3)cs2)cc1 ZINC000826351628 608796978 /nfs/dbraw/zinc/79/69/78/608796978.db2.gz TUUKYQQSLILIBH-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM Clc1ccc(-c2nc(CCNc3cnccc3-c3nn[n-]n3)cs2)cc1 ZINC000826351628 608796979 /nfs/dbraw/zinc/79/69/79/608796979.db2.gz TUUKYQQSLILIBH-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM COc1ccc2cc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c(C)nc2c1 ZINC000826213043 608821733 /nfs/dbraw/zinc/82/17/33/608821733.db2.gz JMLAAYAUOAYBCS-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2cc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c(C)nc2c1 ZINC000826213043 608821737 /nfs/dbraw/zinc/82/17/37/608821737.db2.gz JMLAAYAUOAYBCS-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1sccc1-c1nnn[n-]1 ZINC000826427203 608829566 /nfs/dbraw/zinc/82/95/66/608829566.db2.gz JBUYSSIMPPSBJR-ZDUSSCGKSA-N -1 3 393.394 3.828 20 0 GHADHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1sccc1-c1nn[n-]n1 ZINC000826427203 608829569 /nfs/dbraw/zinc/82/95/69/608829569.db2.gz JBUYSSIMPPSBJR-ZDUSSCGKSA-N -1 3 393.394 3.828 20 0 GHADHM CCCCOc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825290636 608853845 /nfs/dbraw/zinc/85/38/45/608853845.db2.gz CCKHWFBLVVBSGJ-OAQYLSRUSA-N -1 3 393.491 3.619 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826180133 609143290 /nfs/dbraw/zinc/14/32/90/609143290.db2.gz TWAWOSLDKHGCRR-GHMZBOCLSA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826180133 609143292 /nfs/dbraw/zinc/14/32/92/609143292.db2.gz TWAWOSLDKHGCRR-GHMZBOCLSA-N -1 3 389.406 3.574 20 0 GHADHM CCOc1cc(Cl)ccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825615724 609155045 /nfs/dbraw/zinc/15/50/45/609155045.db2.gz ILQVLSBKORGDFE-NSHDSACASA-N -1 3 375.835 3.909 20 0 GHADHM CC(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000824019684 609161955 /nfs/dbraw/zinc/16/19/55/609161955.db2.gz LATWBGXHEUXUBY-UHFFFAOYSA-N -1 3 381.411 3.511 20 0 GHADHM CC(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000824019684 609161957 /nfs/dbraw/zinc/16/19/57/609161957.db2.gz LATWBGXHEUXUBY-UHFFFAOYSA-N -1 3 381.411 3.511 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccncc2Cl)c1-c1nnn[n-]1 ZINC000826233979 609166288 /nfs/dbraw/zinc/16/62/88/609166288.db2.gz CEUJVQVWSZXUTO-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccncc2Cl)c1-c1nn[n-]n1 ZINC000826233979 609166290 /nfs/dbraw/zinc/16/62/90/609166290.db2.gz CEUJVQVWSZXUTO-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM COCCOCc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826160820 609175943 /nfs/dbraw/zinc/17/59/43/609175943.db2.gz IGPDFSMTZBXZNJ-HXUWFJFHSA-N -1 3 379.464 3.519 20 0 GHADHM COCCOCc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826160820 609175944 /nfs/dbraw/zinc/17/59/44/609175944.db2.gz IGPDFSMTZBXZNJ-HXUWFJFHSA-N -1 3 379.464 3.519 20 0 GHADHM COc1ccc(CNc2cc(C)n(-c3cccc(Cl)c3)n2)cc1-c1nnn[n-]1 ZINC000826203442 609180624 /nfs/dbraw/zinc/18/06/24/609180624.db2.gz NYHSPXXZKKSXIO-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1ccc(CNc2cc(C)n(-c3cccc(Cl)c3)n2)cc1-c1nn[n-]n1 ZINC000826203442 609180625 /nfs/dbraw/zinc/18/06/25/609180625.db2.gz NYHSPXXZKKSXIO-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](CC)c1ccccc1 ZINC000825281656 609231290 /nfs/dbraw/zinc/23/12/90/609231290.db2.gz IPHBEZKYZPOKEC-WOJBJXKFSA-N -1 3 393.491 3.680 20 0 GHADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](CC)c1ccccc1 ZINC000825281656 609231291 /nfs/dbraw/zinc/23/12/91/609231291.db2.gz IPHBEZKYZPOKEC-WOJBJXKFSA-N -1 3 393.491 3.680 20 0 GHADHM C[C@@H](Nc1cccc(CC(=O)OC(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662086 609270278 /nfs/dbraw/zinc/27/02/78/609270278.db2.gz BVPJZACOYGYURH-CQSZACIVSA-N -1 3 379.464 3.924 20 0 GHADHM C[C@@H](Nc1cccc(CC(=O)OC(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662086 609270279 /nfs/dbraw/zinc/27/02/79/609270279.db2.gz BVPJZACOYGYURH-CQSZACIVSA-N -1 3 379.464 3.924 20 0 GHADHM CCN(C(=O)c1cnn(C2CCCCC2)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390665 609281644 /nfs/dbraw/zinc/28/16/44/609281644.db2.gz JPVSFFCJCHPNOB-UHFFFAOYSA-N -1 3 379.468 3.544 20 0 GHADHM CCN(C(=O)c1cnn(C2CCCCC2)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390665 609281645 /nfs/dbraw/zinc/28/16/45/609281645.db2.gz JPVSFFCJCHPNOB-UHFFFAOYSA-N -1 3 379.468 3.544 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000825746535 609291348 /nfs/dbraw/zinc/29/13/48/609291348.db2.gz ZGZXGLRNQNMHFQ-SNVBAGLBSA-N -1 3 390.900 3.681 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000825746535 609291350 /nfs/dbraw/zinc/29/13/50/609291350.db2.gz ZGZXGLRNQNMHFQ-SNVBAGLBSA-N -1 3 390.900 3.681 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC000824520783 609293013 /nfs/dbraw/zinc/29/30/13/609293013.db2.gz FCTJVDSNLAJIAB-ZDUSSCGKSA-N -1 3 396.882 3.611 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC000824520783 609293015 /nfs/dbraw/zinc/29/30/15/609293015.db2.gz FCTJVDSNLAJIAB-ZDUSSCGKSA-N -1 3 396.882 3.611 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826217114 609302764 /nfs/dbraw/zinc/30/27/64/609302764.db2.gz ZDRDRUSQNMWVFY-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826217114 609302766 /nfs/dbraw/zinc/30/27/66/609302766.db2.gz ZDRDRUSQNMWVFY-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826322264 609303093 /nfs/dbraw/zinc/30/30/93/609303093.db2.gz FKCOSAWOZORQLD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826322264 609303094 /nfs/dbraw/zinc/30/30/94/609303094.db2.gz FKCOSAWOZORQLD-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(NCc1ccccc1F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443440 609306872 /nfs/dbraw/zinc/30/68/72/609306872.db2.gz PIRFKADLJDZDKB-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccccc1F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826443440 609306874 /nfs/dbraw/zinc/30/68/74/609306874.db2.gz PIRFKADLJDZDKB-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(Cl)c1 ZINC000826483924 609312318 /nfs/dbraw/zinc/31/23/18/609312318.db2.gz GFRVJRBJEQANAG-UHFFFAOYSA-N -1 3 393.628 3.674 20 0 GHADHM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(Cl)c1 ZINC000826483924 609312319 /nfs/dbraw/zinc/31/23/19/609312319.db2.gz GFRVJRBJEQANAG-UHFFFAOYSA-N -1 3 393.628 3.674 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000825553043 609312564 /nfs/dbraw/zinc/31/25/64/609312564.db2.gz JLCNRIGADIHHHB-LLVKDONJSA-N -1 3 393.407 3.749 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000825553043 609312565 /nfs/dbraw/zinc/31/25/65/609312565.db2.gz JLCNRIGADIHHHB-LLVKDONJSA-N -1 3 393.407 3.749 20 0 GHADHM O=C([C@H](F)Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826396761 609313444 /nfs/dbraw/zinc/31/34/44/609313444.db2.gz KDRXRUHTBSKRSD-GOSISDBHSA-N -1 3 391.406 3.574 20 0 GHADHM O=C([C@H](F)Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826396761 609313446 /nfs/dbraw/zinc/31/34/46/609313446.db2.gz KDRXRUHTBSKRSD-GOSISDBHSA-N -1 3 391.406 3.574 20 0 GHADHM O=C(Nc1ccc(C2CC2)nn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826453731 609321897 /nfs/dbraw/zinc/32/18/97/609321897.db2.gz XEFYVZJUTJESFP-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1ccc(C2CC2)nn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826453731 609321899 /nfs/dbraw/zinc/32/18/99/609321899.db2.gz XEFYVZJUTJESFP-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM C[C@@H](NCc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613323 609324992 /nfs/dbraw/zinc/32/49/92/609324992.db2.gz TZSWGXOJBCZXQD-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613323 609324994 /nfs/dbraw/zinc/32/49/94/609324994.db2.gz TZSWGXOJBCZXQD-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824906716 609325244 /nfs/dbraw/zinc/32/52/44/609325244.db2.gz DGMHNMKVBDCJAK-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824906716 609325246 /nfs/dbraw/zinc/32/52/46/609325246.db2.gz DGMHNMKVBDCJAK-LSDHHAIUSA-N -1 3 377.448 3.920 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825674900 609325326 /nfs/dbraw/zinc/32/53/26/609325326.db2.gz UMEMZDWEPNETCB-CQSZACIVSA-N -1 3 397.504 3.921 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825674900 609325327 /nfs/dbraw/zinc/32/53/27/609325327.db2.gz UMEMZDWEPNETCB-CQSZACIVSA-N -1 3 397.504 3.921 20 0 GHADHM C[C@@]1(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCCS1 ZINC000824824626 609328872 /nfs/dbraw/zinc/32/88/72/609328872.db2.gz WHYZUBWKWFVHTI-FQEVSTJZSA-N -1 3 395.488 3.675 20 0 GHADHM C[C@@]1(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCCS1 ZINC000824824626 609328874 /nfs/dbraw/zinc/32/88/74/609328874.db2.gz WHYZUBWKWFVHTI-FQEVSTJZSA-N -1 3 395.488 3.675 20 0 GHADHM C[C@@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824625735 609330916 /nfs/dbraw/zinc/33/09/16/609330916.db2.gz JPEGXBIAGMKQHP-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824625735 609330917 /nfs/dbraw/zinc/33/09/17/609330917.db2.gz JPEGXBIAGMKQHP-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM CCOCCOc1cc(C)ccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825605063 609339873 /nfs/dbraw/zinc/33/98/73/609339873.db2.gz PIWAKBAIHGBYGT-OAHLLOKOSA-N -1 3 399.470 3.580 20 0 GHADHM COCCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826157509 609340412 /nfs/dbraw/zinc/34/04/12/609340412.db2.gz YMOROXPOGMIQIX-HNNXBMFYSA-N -1 3 399.470 3.580 20 0 GHADHM C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539887 609344621 /nfs/dbraw/zinc/34/46/21/609344621.db2.gz QOICAODDXUQNDQ-XCLFUZPHSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539887 609344623 /nfs/dbraw/zinc/34/46/23/609344623.db2.gz QOICAODDXUQNDQ-XCLFUZPHSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662627 609349105 /nfs/dbraw/zinc/34/91/05/609349105.db2.gz ODLILTSZARENAN-LBPRGKRZSA-N -1 3 382.443 3.707 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662627 609349107 /nfs/dbraw/zinc/34/91/07/609349107.db2.gz ODLILTSZARENAN-LBPRGKRZSA-N -1 3 382.443 3.707 20 0 GHADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826429294 609350575 /nfs/dbraw/zinc/35/05/75/609350575.db2.gz ZGXIADCAPGEEGF-OAHLLOKOSA-N -1 3 399.376 3.650 20 0 GHADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826429294 609350577 /nfs/dbraw/zinc/35/05/77/609350577.db2.gz ZGXIADCAPGEEGF-OAHLLOKOSA-N -1 3 399.376 3.650 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000824723792 609351251 /nfs/dbraw/zinc/35/12/51/609351251.db2.gz UKLHZCKBFGBYPN-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000824723792 609351254 /nfs/dbraw/zinc/35/12/54/609351254.db2.gz UKLHZCKBFGBYPN-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM Cc1cc(O)ccc1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826271646 609391533 /nfs/dbraw/zinc/39/15/33/609391533.db2.gz AKSHUTFCJMUVJJ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(O)ccc1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826271646 609391536 /nfs/dbraw/zinc/39/15/36/609391536.db2.gz AKSHUTFCJMUVJJ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)n1 ZINC000825740680 609425208 /nfs/dbraw/zinc/42/52/08/609425208.db2.gz YIMVAARHMSORMO-CQSZACIVSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)n1 ZINC000825740680 609425209 /nfs/dbraw/zinc/42/52/09/609425209.db2.gz YIMVAARHMSORMO-CQSZACIVSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)n1 ZINC000825740692 609425243 /nfs/dbraw/zinc/42/52/43/609425243.db2.gz YQSHFEMNUPTDBJ-HNNXBMFYSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@H]2CCCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)n1 ZINC000825740692 609425246 /nfs/dbraw/zinc/42/52/46/609425246.db2.gz YQSHFEMNUPTDBJ-HNNXBMFYSA-N -1 3 391.504 3.818 20 0 GHADHM OCc1ccc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)cc1 ZINC000826510154 609438177 /nfs/dbraw/zinc/43/81/77/609438177.db2.gz AHOKMYZJFGXRGC-UHFFFAOYSA-N -1 3 391.406 3.903 20 0 GHADHM OCc1ccc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)cc1 ZINC000826510154 609438179 /nfs/dbraw/zinc/43/81/79/609438179.db2.gz AHOKMYZJFGXRGC-UHFFFAOYSA-N -1 3 391.406 3.903 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1CC=CCC1 ZINC000826474251 609455221 /nfs/dbraw/zinc/45/52/21/609455221.db2.gz IDVQIYWOLQDBCV-UHFFFAOYSA-N -1 3 381.823 3.715 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1CC=CCC1 ZINC000826474251 609455222 /nfs/dbraw/zinc/45/52/22/609455222.db2.gz IDVQIYWOLQDBCV-UHFFFAOYSA-N -1 3 381.823 3.715 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1sc2nc(C)nc(C)c2c1C ZINC000825632429 609477506 /nfs/dbraw/zinc/47/75/06/609477506.db2.gz RKQJHSMVUYZCHN-UHFFFAOYSA-N -1 3 395.492 3.807 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1sc2nc(C)nc(C)c2c1C ZINC000825632429 609477507 /nfs/dbraw/zinc/47/75/07/609477507.db2.gz RKQJHSMVUYZCHN-UHFFFAOYSA-N -1 3 395.492 3.807 20 0 GHADHM CC(C)Oc1ccc(NCc2occc2Br)cc1-c1nnn[n-]1 ZINC000824333444 609490067 /nfs/dbraw/zinc/49/00/67/609490067.db2.gz JYRMIRDTFAQWSB-UHFFFAOYSA-N -1 3 378.230 3.622 20 0 GHADHM CC(C)Oc1ccc(NCc2occc2Br)cc1-c1nn[n-]n1 ZINC000824333444 609490069 /nfs/dbraw/zinc/49/00/69/609490069.db2.gz JYRMIRDTFAQWSB-UHFFFAOYSA-N -1 3 378.230 3.622 20 0 GHADHM c1sc(CNc2cc(CC3CC3)nn2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826519994 609491164 /nfs/dbraw/zinc/49/11/64/609491164.db2.gz WWQPPCMUOKWEHQ-UHFFFAOYSA-N -1 3 377.477 3.679 20 0 GHADHM c1sc(CNc2cc(CC3CC3)nn2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826519994 609491165 /nfs/dbraw/zinc/49/11/65/609491165.db2.gz WWQPPCMUOKWEHQ-UHFFFAOYSA-N -1 3 377.477 3.679 20 0 GHADHM COc1cc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)ccc1OC(C)C ZINC000826180125 609532391 /nfs/dbraw/zinc/53/23/91/609532391.db2.gz SVGXDKWSRQYWRG-UHFFFAOYSA-N -1 3 388.859 3.631 20 0 GHADHM COc1cc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)ccc1OC(C)C ZINC000826180125 609532393 /nfs/dbraw/zinc/53/23/93/609532393.db2.gz SVGXDKWSRQYWRG-UHFFFAOYSA-N -1 3 388.859 3.631 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNc3nccc(C)c3-c3nnn[n-]3)c2)cc1 ZINC000826282384 609537634 /nfs/dbraw/zinc/53/76/34/609537634.db2.gz MFHLVUHOUNRBKS-UHFFFAOYSA-N -1 3 399.458 3.743 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNc3nccc(C)c3-c3nn[n-]n3)c2)cc1 ZINC000826282384 609537636 /nfs/dbraw/zinc/53/76/36/609537636.db2.gz MFHLVUHOUNRBKS-UHFFFAOYSA-N -1 3 399.458 3.743 20 0 GHADHM C[C@H]1C[C@@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824867256 609559444 /nfs/dbraw/zinc/55/94/44/609559444.db2.gz OTBUKCKEBLDPIJ-DOTOQJQBSA-N -1 3 397.523 3.699 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238248 609580065 /nfs/dbraw/zinc/58/00/65/609580065.db2.gz AOLGPZNZUTYYOB-BBRMVZONSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238248 609580066 /nfs/dbraw/zinc/58/00/66/609580066.db2.gz AOLGPZNZUTYYOB-BBRMVZONSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c1C ZINC000826331820 609587444 /nfs/dbraw/zinc/58/74/44/609587444.db2.gz ZDBODFCVJOHAQR-LAQFHYBYSA-N -1 3 393.495 3.680 20 0 GHADHM O=C(/C=C/SCc1ccco1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826400387 609613285 /nfs/dbraw/zinc/61/32/85/609613285.db2.gz YAISYJKEQNJROE-FNORWQNLSA-N -1 3 376.825 3.603 20 0 GHADHM O=C(/C=C/SCc1ccco1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826400387 609613286 /nfs/dbraw/zinc/61/32/86/609613286.db2.gz YAISYJKEQNJROE-FNORWQNLSA-N -1 3 376.825 3.603 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1coc(-c2ccccc2)n1 ZINC000826465191 609613946 /nfs/dbraw/zinc/61/39/46/609613946.db2.gz BUCCKFFYKQWYRC-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1coc(-c2ccccc2)n1 ZINC000826465191 609613947 /nfs/dbraw/zinc/61/39/47/609613947.db2.gz BUCCKFFYKQWYRC-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(Cl)nc(Cl)c1 ZINC000826465219 609615371 /nfs/dbraw/zinc/61/53/71/609615371.db2.gz DNHBGFZKSLEILG-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(Cl)nc(Cl)c1 ZINC000826465219 609615373 /nfs/dbraw/zinc/61/53/73/609615373.db2.gz DNHBGFZKSLEILG-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM CC(C)c1noc2ncc(C(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)cc21 ZINC000824371443 609616726 /nfs/dbraw/zinc/61/67/26/609616726.db2.gz GGSXOUFFZAJACU-UHFFFAOYSA-N -1 3 398.810 3.537 20 0 GHADHM CC(C)c1noc2ncc(C(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)cc21 ZINC000824371443 609616727 /nfs/dbraw/zinc/61/67/27/609616727.db2.gz GGSXOUFFZAJACU-UHFFFAOYSA-N -1 3 398.810 3.537 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)s1 ZINC000655673496 837581977 /nfs/dbraw/zinc/58/19/77/837581977.db2.gz DJDZHWNSTHHBGH-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM C[C@H](CN(Cc1ccc(I)cc1Cl)C1CC1)C(=O)[O-] ZINC000583505669 834521228 /nfs/dbraw/zinc/52/12/28/834521228.db2.gz OKFIRODIKQVEBR-SECBINFHSA-N -1 3 393.652 3.630 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Br)ccc1N1CCCC1 ZINC000163130583 834532498 /nfs/dbraw/zinc/53/24/98/834532498.db2.gz FVKVNJHKDOKMND-HNNXBMFYSA-N -1 3 384.274 3.629 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)ccc1N1CCCC1 ZINC000163130583 834532503 /nfs/dbraw/zinc/53/25/03/834532503.db2.gz FVKVNJHKDOKMND-HNNXBMFYSA-N -1 3 384.274 3.629 20 0 GHADHM COC(=O)c1cnc(SCCCCOc2ccc(Br)cc2)[n-]1 ZINC001307331923 834785658 /nfs/dbraw/zinc/78/56/58/834785658.db2.gz AAPOPYPWHWEMMJ-UHFFFAOYSA-N -1 3 385.283 3.910 20 0 GHADHM O=c1[nH]c(CCSc2nnc([N-]c3ccccc3F)s2)nc2ccccc12 ZINC000142028636 834786361 /nfs/dbraw/zinc/78/63/61/834786361.db2.gz AJLRORKCPVXTIO-UHFFFAOYSA-N -1 3 399.476 3.992 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000092229953 834794656 /nfs/dbraw/zinc/79/46/56/834794656.db2.gz LJGDJCZWDPMXJJ-UHFFFAOYSA-N -1 3 376.497 3.863 20 0 GHADHM COc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000583681581 834861672 /nfs/dbraw/zinc/86/16/72/834861672.db2.gz YBSUJNIHMCRCNH-HNNXBMFYSA-N -1 3 383.275 3.740 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)NCC)c2C)cc1 ZINC000278775441 834870520 /nfs/dbraw/zinc/87/05/20/834870520.db2.gz TWDOXVJICGDXEN-UHFFFAOYSA-N -1 3 391.493 3.726 20 0 GHADHM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129487042 834878494 /nfs/dbraw/zinc/87/84/94/834878494.db2.gz AIDCFKBGEUCRQH-MRXNPFEDSA-N -1 3 381.457 3.618 20 0 GHADHM 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Cc1cc(S(=O)(=O)[N-]CC2(CO)CC(c3ccccc3)C2)sc1Cl ZINC000433364433 844053096 /nfs/dbraw/zinc/05/30/96/844053096.db2.gz KBPXGQRZGRLEHK-UHFFFAOYSA-N -1 3 385.938 3.545 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000109182189 835442976 /nfs/dbraw/zinc/44/29/76/835442976.db2.gz HOQYNGTUAHNVPZ-MRXNPFEDSA-N -1 3 390.505 3.940 20 0 GHADHM O=c1nc(CSCCCNc2ncccn2)[n-]c2scc(-c3ccco3)c21 ZINC000109200603 835462706 /nfs/dbraw/zinc/46/27/06/835462706.db2.gz RDWLVPYDGDWAIQ-UHFFFAOYSA-N -1 3 399.501 3.770 20 0 GHADHM CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151527221 835493193 /nfs/dbraw/zinc/49/31/93/835493193.db2.gz XSXNVKCQQQKHIE-UHFFFAOYSA-N -1 3 397.656 3.697 20 0 GHADHM CCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1OCC ZINC000151582531 835557530 /nfs/dbraw/zinc/55/75/30/835557530.db2.gz FPLQWJCRHMTKSA-UHFFFAOYSA-N -1 3 394.265 3.882 20 0 GHADHM COc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1NC(=O)C1CCCCC1 ZINC000274811246 835576181 /nfs/dbraw/zinc/57/61/81/835576181.db2.gz VDTWNZQMVGTOQQ-SFHVURJKSA-N -1 3 391.468 3.794 20 0 GHADHM COc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1NC(=O)C1CCCCC1 ZINC000274811246 835576190 /nfs/dbraw/zinc/57/61/90/835576190.db2.gz VDTWNZQMVGTOQQ-SFHVURJKSA-N -1 3 391.468 3.794 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151613167 835656029 /nfs/dbraw/zinc/65/60/29/835656029.db2.gz OPVZDGODKDKKSI-LBPRGKRZSA-N -1 3 378.266 3.973 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(CCOCc4ccccc4)CC3)nc21 ZINC000472372200 835738508 /nfs/dbraw/zinc/73/85/08/835738508.db2.gz ZSZYAZDVPJDORT-UHFFFAOYSA-N -1 3 393.443 3.675 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)c1C ZINC000030531199 835762921 /nfs/dbraw/zinc/76/29/21/835762921.db2.gz UGMKVKRWEZVUEH-UHFFFAOYSA-N -1 3 386.517 3.843 20 0 GHADHM COc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1NC(=O)OC(C)(C)C ZINC000274903760 835795718 /nfs/dbraw/zinc/79/57/18/835795718.db2.gz LTPUWEJZIFKFJB-HNNXBMFYSA-N -1 3 381.429 3.622 20 0 GHADHM COc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1NC(=O)OC(C)(C)C ZINC000274903760 835795726 /nfs/dbraw/zinc/79/57/26/835795726.db2.gz LTPUWEJZIFKFJB-HNNXBMFYSA-N -1 3 381.429 3.622 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000893734940 844099717 /nfs/dbraw/zinc/09/97/17/844099717.db2.gz KTYWLQAFFJMAES-CABCVRRESA-N -1 3 397.313 3.503 20 0 GHADHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000584373581 835935097 /nfs/dbraw/zinc/93/50/97/835935097.db2.gz URSPCSSLBZYMQN-UHFFFAOYSA-N -1 3 394.802 3.704 20 0 GHADHM CC(=O)c1cccc(O[C@@H](C)C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000512539594 844113653 /nfs/dbraw/zinc/11/36/53/844113653.db2.gz FSFGYERPXWPQTG-INIZCTEOSA-N -1 3 377.444 3.724 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000433417751 844115367 /nfs/dbraw/zinc/11/53/67/844115367.db2.gz NZRHMCZNBUTZRD-UHFFFAOYSA-N -1 3 386.370 3.847 20 0 GHADHM O=C(NC[C@@H]1CC2CCC1CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000584471957 836040436 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O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(F)c(Br)c1 ZINC000174716808 836540865 /nfs/dbraw/zinc/54/08/65/836540865.db2.gz LDUKLUYECHDKQJ-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CC[C@@H](OCc4ccccn4)C3)c2c1 ZINC000582005571 844196571 /nfs/dbraw/zinc/19/65/71/844196571.db2.gz ADKANXBXVNEHLM-QGZVFWFLSA-N -1 3 377.444 3.740 20 0 GHADHM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1cnn(-c2ccccc2F)c1 ZINC000066123499 836826393 /nfs/dbraw/zinc/82/63/93/836826393.db2.gz JURBZYJQSCXDSN-UHFFFAOYSA-N -1 3 397.479 3.766 20 0 GHADHM COC1(C(F)(F)F)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000419349949 844211195 /nfs/dbraw/zinc/21/11/95/844211195.db2.gz NAGHFMIMFXIXIJ-UHFFFAOYSA-N -1 3 381.354 3.625 20 0 GHADHM Cc1nc(C(C)(C)C)sc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511389927 836909881 /nfs/dbraw/zinc/90/98/81/836909881.db2.gz FYENZQSBHIDDHP-UHFFFAOYSA-N -1 3 393.310 3.833 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000613014476 837090103 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GHADHM CCOC(=O)c1ccnc([N-]C(=O)c2cnc([C@@H](C)OCC)s2)c1Cl ZINC000892808722 839132001 /nfs/dbraw/zinc/13/20/01/839132001.db2.gz CHSFIOGWHYEZAL-SECBINFHSA-N -1 3 383.857 3.718 20 0 GHADHM Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(O)cc2[O-])c1 ZINC000182830816 839164237 /nfs/dbraw/zinc/16/42/37/839164237.db2.gz QTEPUCCWNRVSKT-QFIPXVFZSA-N -1 3 377.440 3.782 20 0 GHADHM CCOc1cc(/C=C/C(=O)NCc2ccc([O-])c(Br)c2)ccc1O ZINC000182838879 839164827 /nfs/dbraw/zinc/16/48/27/839164827.db2.gz DBHQRAGXUWZFCV-VMPITWQZSA-N -1 3 392.249 3.589 20 0 GHADHM C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C[C@@H](C)O2 ZINC000548076518 839247869 /nfs/dbraw/zinc/24/78/69/839247869.db2.gz PGEJNQSBPRZSBH-NXMSCROESA-N -1 3 395.499 3.586 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000189386199 839432555 /nfs/dbraw/zinc/43/25/55/839432555.db2.gz VDNNFYDXLRHPJJ-UHFFFAOYSA-N -1 3 396.516 3.568 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000416596129 839475399 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GHADHM O=S(=O)([N-]C1CCC(OC(F)F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000650295049 840239200 /nfs/dbraw/zinc/23/92/00/840239200.db2.gz PUUMZEHUJGKNRO-UHFFFAOYSA-N -1 3 391.333 3.673 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000180839284 840253093 /nfs/dbraw/zinc/25/30/93/840253093.db2.gz GINJGLXRWHQNBE-UHFFFAOYSA-N -1 3 375.335 3.522 20 0 GHADHM Cc1nc(CCNCc2ccc(Br)cc2Cl)sc1C(=O)[O-] ZINC000277000945 844529263 /nfs/dbraw/zinc/52/92/63/844529263.db2.gz LIWDCPSPAMNIPE-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)ccc1F ZINC000471626428 840368612 /nfs/dbraw/zinc/36/86/12/840368612.db2.gz OLNOKAYYZAQMQG-UHFFFAOYSA-N -1 3 399.415 3.730 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1Cl ZINC000055674146 840400060 /nfs/dbraw/zinc/40/00/60/840400060.db2.gz DLQMPHJUOWDFTK-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000364021743 840469198 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Cn1c(CN[C@@H](CCSc2ccccc2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000417614223 841067050 /nfs/dbraw/zinc/06/70/50/841067050.db2.gz DZIORTMMWOSGJA-HNNXBMFYSA-N -1 3 389.908 3.952 20 0 GHADHM CC(C)(C)c1nc(CNC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])cs1 ZINC000417636631 841087544 /nfs/dbraw/zinc/08/75/44/841087544.db2.gz LYQVUWFJCFNLAP-LLVKDONJSA-N -1 3 386.439 3.891 20 0 GHADHM COc1cc(Br)c(CN[C@H](CCC(C)(C)C)C(=O)[O-])c(OC)c1 ZINC000417639676 841089802 /nfs/dbraw/zinc/08/98/02/841089802.db2.gz TYZQIECZMPLREN-CQSZACIVSA-N -1 3 388.302 3.835 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c1 ZINC000319086858 841143849 /nfs/dbraw/zinc/14/38/49/841143849.db2.gz MHSCLBCAOOOYDX-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000660747415 841157928 /nfs/dbraw/zinc/15/79/28/841157928.db2.gz IHMSSVGLKWRYQJ-NRFANRHFSA-N -1 3 396.535 3.753 20 0 GHADHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc([O-])ccc1Cl ZINC000500033502 841296595 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20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1(C(F)F)CCCCC1 ZINC000500165572 841557204 /nfs/dbraw/zinc/55/72/04/841557204.db2.gz TZPXUYCXWKVIEJ-UHFFFAOYSA-N -1 3 377.229 3.922 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCc2cscn2)c1)C1CCCC1 ZINC000656620460 841579276 /nfs/dbraw/zinc/57/92/76/841579276.db2.gz DKBVDCVRUWCMGR-SFHVURJKSA-N -1 3 396.534 3.669 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000651794200 841587354 /nfs/dbraw/zinc/58/73/54/841587354.db2.gz JCOWNOLOCPOTOB-MGPLVRAMSA-N -1 3 392.279 3.674 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC001211666756 841656345 /nfs/dbraw/zinc/65/63/45/841656345.db2.gz KLGFALCJBLEWON-PKOBYXMFSA-N -1 3 399.443 3.600 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000600199960 861242142 /nfs/dbraw/zinc/24/21/42/861242142.db2.gz DBTAKZWIGAYDND-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000600199960 861242153 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Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000127310330 842231447 /nfs/dbraw/zinc/23/14/47/842231447.db2.gz XAWJKZIABAKWIW-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c2ccccc12 ZINC000182262247 842241366 /nfs/dbraw/zinc/24/13/66/842241366.db2.gz ASLDYMUCTBUTDB-UHFFFAOYSA-N -1 3 376.384 3.877 20 0 GHADHM COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000661904279 842304933 /nfs/dbraw/zinc/30/49/33/842304933.db2.gz PQXKVCGQCQPKSN-DZGCQCFKSA-N -1 3 391.265 3.519 20 0 GHADHM O=C(NC1(C2CCC2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000652869757 861295532 /nfs/dbraw/zinc/29/55/32/861295532.db2.gz ZZMIPNANOLJRPX-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM CC[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nnc2n1CCCCC2 ZINC000661935683 842360159 /nfs/dbraw/zinc/36/01/59/842360159.db2.gz DRBXEJJYUULBGN-CQSZACIVSA-N -1 3 392.463 3.640 20 0 GHADHM Cc1nc(C)c(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000432273767 842480317 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20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cn(-c2ccccc2)nn1 ZINC000471894030 843299680 /nfs/dbraw/zinc/29/96/80/843299680.db2.gz WGYQGZBPUNSMEH-NSHDSACASA-N -1 3 397.287 3.614 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)c(F)c3)n2)cc1F ZINC000471897290 843320951 /nfs/dbraw/zinc/32/09/51/843320951.db2.gz GXFCXIYBCXEHRF-GFCCVEGCSA-N -1 3 393.415 3.671 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)ccc1F ZINC000432642925 843343983 /nfs/dbraw/zinc/34/39/83/843343983.db2.gz MOXPXNWTRUZMBJ-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cccc(F)c1 ZINC000512320177 843372400 /nfs/dbraw/zinc/37/24/00/843372400.db2.gz DBKNEGFCPQPOPU-UHFFFAOYSA-N -1 3 378.176 3.792 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC(F)F)c(F)c3)nc2)n1 ZINC000549604608 843404585 /nfs/dbraw/zinc/40/45/85/843404585.db2.gz WEVQKYOYRLFSRL-UHFFFAOYSA-N -1 3 390.365 3.581 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000500443442 843431591 /nfs/dbraw/zinc/43/15/91/843431591.db2.gz YIDSUNRMPDCVGT-INIZCTEOSA-N -1 3 399.541 3.615 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@H](c4cccc(C)c4C)C3=O)cc2)cc(=O)[n-]1 ZINC000349274886 861423515 /nfs/dbraw/zinc/42/35/15/861423515.db2.gz HARUGYBXOWMKQV-HXUWFJFHSA-N -1 3 388.427 3.572 20 0 GHADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c2cnn(Cc3cccs3)c2n1 ZINC000535660069 843519827 /nfs/dbraw/zinc/51/98/27/843519827.db2.gz WZVGCTBAKAKDRL-UHFFFAOYSA-N -1 3 382.420 3.947 20 0 GHADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429816740 843641200 /nfs/dbraw/zinc/64/12/00/843641200.db2.gz HBMKAJCJROJGGR-LLVKDONJSA-N -1 3 384.723 3.586 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)c3ccc4ccccc4c3)nc(=O)c2c1C ZINC000007487823 843672117 /nfs/dbraw/zinc/67/21/17/843672117.db2.gz JKUPUGOFQXSHKX-UHFFFAOYSA-N -1 3 393.468 3.869 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1C(C)C ZINC000432767207 843743656 /nfs/dbraw/zinc/74/36/56/843743656.db2.gz GZAOBSBEXYSKCU-UHFFFAOYSA-N -1 3 386.477 3.509 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000247501814 843783656 /nfs/dbraw/zinc/78/36/56/843783656.db2.gz QFJCIAADAMFBII-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000247501814 843783661 /nfs/dbraw/zinc/78/36/61/843783661.db2.gz QFJCIAADAMFBII-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(OC(C)C)nc2)[nH][n-]1 ZINC000512851262 843885105 /nfs/dbraw/zinc/88/51/05/843885105.db2.gz XBWHTKLGQWKZHB-UHFFFAOYSA-N -1 3 386.839 3.595 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c([O-])c1C ZINC000051451186 843897513 /nfs/dbraw/zinc/89/75/13/843897513.db2.gz XHXMHMQRZOHJKX-QGZVFWFLSA-N -1 3 383.448 3.562 20 0 GHADHM O=c1[n-]c(CN[C@H](Cn2cccn2)c2ccccc2)nc2c3ccccc3oc21 ZINC000673715334 861470638 /nfs/dbraw/zinc/47/06/38/861470638.db2.gz YQMPSILQQFOEAB-QGZVFWFLSA-N -1 3 385.427 3.809 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C ZINC000512577763 844637781 /nfs/dbraw/zinc/63/77/81/844637781.db2.gz NADVCDQGDORCHN-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000599659140 861490258 /nfs/dbraw/zinc/49/02/58/861490258.db2.gz ILZOLHBDNYXWSJ-UHFFFAOYSA-N -1 3 389.477 3.867 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=S)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000899677932 861493769 /nfs/dbraw/zinc/49/37/69/861493769.db2.gz KJIZPEMBDANPGU-OAHLLOKOSA-N -1 3 399.564 3.994 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(OC(F)F)cc1)c2=O ZINC000535836175 844772714 /nfs/dbraw/zinc/77/27/14/844772714.db2.gz IGQYZWLRAIPLMT-UHFFFAOYSA-N -1 3 378.306 3.530 20 0 GHADHM Cc1nnc([C@H]2CCCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[nH]1 ZINC000411398012 845385206 /nfs/dbraw/zinc/38/52/06/845385206.db2.gz NOUHNHPCLHYFDJ-CYBMUJFWSA-N -1 3 396.476 3.811 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000512767986 845451713 /nfs/dbraw/zinc/45/17/13/845451713.db2.gz VYMYEWODSPJZHE-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)cc1 ZINC000513451635 845478124 /nfs/dbraw/zinc/47/81/24/845478124.db2.gz MZRCDYWFMQIVOV-UHFFFAOYSA-N -1 3 396.516 3.730 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000512782125 845501975 /nfs/dbraw/zinc/50/19/75/845501975.db2.gz DCUJGXTYHRQWDO-VIFPVBQESA-N -1 3 378.288 3.732 20 0 GHADHM O=c1[n-]c(SCc2cnoc2C2CC2)nc2c1cnn2Cc1ccccc1 ZINC000657284321 845676703 /nfs/dbraw/zinc/67/67/03/845676703.db2.gz OLTKLIKYAUNDIE-UHFFFAOYSA-N -1 3 379.445 3.738 20 0 GHADHM COc1cccc(CO[C@@H](C)C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000622891112 845796280 /nfs/dbraw/zinc/79/62/80/845796280.db2.gz GDNIPVGGIJEKGI-ZDUSSCGKSA-N -1 3 385.851 3.704 20 0 GHADHM COCCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000119664356 845797824 /nfs/dbraw/zinc/79/78/24/845797824.db2.gz ZBUMZAMIIQXFHB-UHFFFAOYSA-N -1 3 396.317 3.559 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN[C@@H](C)c4cccnc4)nc(=O)c3s2)cc1 ZINC000684709280 845905929 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Cc1nc(-c2ccc(NC(=O)N3CCC[C@]4(CCSC4)C3)cc2)cc(=O)[n-]1 ZINC000582104852 846367913 /nfs/dbraw/zinc/36/79/13/846367913.db2.gz CPOCXHJQZRHSIZ-FQEVSTJZSA-N -1 3 384.505 3.909 20 0 GHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000582121895 846418408 /nfs/dbraw/zinc/41/84/08/846418408.db2.gz NTZYMFMBSRMZHJ-WMZOPIPTSA-N -1 3 390.499 3.672 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1C ZINC000548686795 846441151 /nfs/dbraw/zinc/44/11/51/846441151.db2.gz XHHMCXYNYHNSNX-UHFFFAOYSA-N -1 3 385.432 3.933 20 0 GHADHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)s1 ZINC000028903650 861684762 /nfs/dbraw/zinc/68/47/62/861684762.db2.gz WUNKGSMWBJEXKJ-UHFFFAOYSA-N -1 3 391.250 3.751 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)C(C1CCC1)C1CCC1 ZINC000421678750 846481467 /nfs/dbraw/zinc/48/14/67/846481467.db2.gz CZXLMROYJWETMN-UHFFFAOYSA-N -1 3 394.235 3.785 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000548695201 846510795 /nfs/dbraw/zinc/51/07/95/846510795.db2.gz WEDOIUOWFKDBON-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2ccnc(Oc3ccccc3)c2)[nH][n-]1 ZINC000623740557 861700292 /nfs/dbraw/zinc/70/02/92/861700292.db2.gz IODVNFCGSREIBW-UHFFFAOYSA-N -1 3 386.411 3.947 20 0 GHADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCc1ccccc1Cl ZINC000419609765 846697021 /nfs/dbraw/zinc/69/70/21/846697021.db2.gz XFHNTKMEPHGZTH-NSHDSACASA-N -1 3 377.897 3.651 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000503029739 846725205 /nfs/dbraw/zinc/72/52/05/846725205.db2.gz SXCAHPCAYLQTED-UHFFFAOYSA-N -1 3 397.649 3.871 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)(C)C)CC2)c1 ZINC001211541532 846727576 /nfs/dbraw/zinc/72/75/76/846727576.db2.gz XDJAUYRKXZSHMZ-GJZGRUSLSA-N -1 3 385.501 3.886 20 0 GHADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000501229287 846760198 /nfs/dbraw/zinc/76/01/98/846760198.db2.gz AUXLOCCMYSSUJW-UHFFFAOYSA-N -1 3 378.388 3.812 20 0 GHADHM COC(=O)[C@@H](CNC(=O)[C@H](C)c1cc2ccccc2o1)Cc1ccc([O-])c(F)c1 ZINC000422046505 846779211 /nfs/dbraw/zinc/77/92/11/846779211.db2.gz TXYLKKNAHGPMKU-CZUORRHYSA-N -1 3 399.418 3.529 20 0 GHADHM CCc1nnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 ZINC000503161591 846859781 /nfs/dbraw/zinc/85/97/81/846859781.db2.gz LZUAOCPHFYAFCX-UHFFFAOYSA-N -1 3 382.474 3.662 20 0 GHADHM CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000501498340 846965613 /nfs/dbraw/zinc/96/56/13/846965613.db2.gz NEISEEMLTPMTGD-UHFFFAOYSA-N -1 3 380.322 3.588 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001271170120 861743088 /nfs/dbraw/zinc/74/30/88/861743088.db2.gz KXBBQFODEIKXNM-UHFFFAOYSA-N -1 3 375.211 3.874 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)c2nccn2C)cc1 ZINC000375692918 847011268 /nfs/dbraw/zinc/01/12/68/847011268.db2.gz QBRPRQWFWAOBDT-NRFANRHFSA-N -1 3 387.439 3.807 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000158168669 847043429 /nfs/dbraw/zinc/04/34/29/847043429.db2.gz DZSKHMPUSMJWPA-BXKDBHETSA-N -1 3 397.415 3.697 20 0 GHADHM Cc1nc(C2([N-]C(=O)C(F)(F)Oc3ccc(C=O)cc3)CCCCCC2)no1 ZINC000731614847 861757584 /nfs/dbraw/zinc/75/75/84/861757584.db2.gz FFBJPHRLZBLDEK-UHFFFAOYSA-N -1 3 393.390 3.528 20 0 GHADHM O=Cc1ccc(OCc2occc2C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1 ZINC000731614585 861758359 /nfs/dbraw/zinc/75/83/59/861758359.db2.gz KXQYPJLPBUYGEK-UHFFFAOYSA-N -1 3 397.334 3.794 20 0 GHADHM COc1cc(OC)c(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1Cl ZINC000414455803 847187325 /nfs/dbraw/zinc/18/73/25/847187325.db2.gz SVTBGMDRVDEPCY-UHFFFAOYSA-N -1 3 383.844 3.604 20 0 GHADHM CCN(CCc1cccs1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273257136 847286422 /nfs/dbraw/zinc/28/64/22/847286422.db2.gz CZGRCMTYRVZZMJ-UHFFFAOYSA-N -1 3 399.472 3.707 20 0 GHADHM Cn1ccnc1SCc1cccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000501929080 847326439 /nfs/dbraw/zinc/32/64/39/847326439.db2.gz WMNLSFGECQKSLO-UHFFFAOYSA-N -1 3 389.484 3.777 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000899781729 861781765 /nfs/dbraw/zinc/78/17/65/861781765.db2.gz GQOKTBYSJRCZNK-MBOZVWFJSA-N -1 3 380.916 3.586 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)c1nc(C)cs1 ZINC000420682191 847370094 /nfs/dbraw/zinc/37/00/94/847370094.db2.gz UMIONRGWBOOCQQ-SNVBAGLBSA-N -1 3 380.413 3.622 20 0 GHADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000428305798 861805938 /nfs/dbraw/zinc/80/59/38/861805938.db2.gz MIHGMUJWJSODPH-UHFFFAOYSA-N -1 3 384.339 3.863 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000503314585 847591613 /nfs/dbraw/zinc/59/16/13/847591613.db2.gz RPHJYAJRTILEHS-LJQANCHMSA-N -1 3 376.391 3.625 20 0 GHADHM COc1ccc(CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000563394109 847610008 /nfs/dbraw/zinc/61/00/08/847610008.db2.gz CAGULIIYNGFOHL-CQSZACIVSA-N -1 3 387.451 3.918 20 0 GHADHM CCc1cccc(C)c1NC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000421035823 847635939 /nfs/dbraw/zinc/63/59/39/847635939.db2.gz MMQHUVPKFMRSED-MRXNPFEDSA-N -1 3 388.439 3.556 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000503419278 847683451 /nfs/dbraw/zinc/68/34/51/847683451.db2.gz KMFSKZLEOVJISH-LJQANCHMSA-N -1 3 387.505 3.519 20 0 GHADHM CC(C)(C)c1ccc(CN[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)s1 ZINC000414669246 847688460 /nfs/dbraw/zinc/68/84/60/847688460.db2.gz XXGUIPJVBAWAHI-SJLPKXTDSA-N -1 3 386.517 3.562 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(F)cc2n[n-]nc21 ZINC000503519309 847764023 /nfs/dbraw/zinc/76/40/23/847764023.db2.gz OUVOYJWHWHYWMS-OAHLLOKOSA-N -1 3 378.329 3.997 20 0 GHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2OC)c(F)c1)OC ZINC000421157280 847790855 /nfs/dbraw/zinc/79/08/55/847790855.db2.gz RIIFREZWJUMLFS-AWEZNQCLSA-N -1 3 383.441 3.793 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccc(F)cc3Cl)nc21 ZINC000503590697 847817783 /nfs/dbraw/zinc/81/77/83/847817783.db2.gz MVGLYACCPPLZOZ-UHFFFAOYSA-N -1 3 391.786 3.550 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)[n-]1 ZINC000582657026 847947370 /nfs/dbraw/zinc/94/73/70/847947370.db2.gz WBBTVJPHNVMPLE-UHFFFAOYSA-N -1 3 375.384 3.786 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1)c1ccco1 ZINC000503853103 847969111 /nfs/dbraw/zinc/96/91/11/847969111.db2.gz GNMBVAWUDYQSFM-CQSZACIVSA-N -1 3 378.277 3.951 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)cc1C ZINC000728507991 848120652 /nfs/dbraw/zinc/12/06/52/848120652.db2.gz LSBNLJRWJKNRIJ-UHFFFAOYSA-N -1 3 394.518 3.887 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1C ZINC000728508529 848125977 /nfs/dbraw/zinc/12/59/77/848125977.db2.gz VXUFMORZMBWJMK-UHFFFAOYSA-N -1 3 394.518 3.887 20 0 GHADHM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000582730202 848178706 /nfs/dbraw/zinc/17/87/06/848178706.db2.gz KWWYAFZXPGLRMU-OXJNMPFZSA-N -1 3 398.507 3.983 20 0 GHADHM O=C(NCC[S@](=O)Cc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000731859214 861914411 /nfs/dbraw/zinc/91/44/11/861914411.db2.gz ROAORTCTPNBFLT-NDEPHWFRSA-N -1 3 393.508 3.662 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001142647242 861926603 /nfs/dbraw/zinc/92/66/03/861926603.db2.gz SYYLRXLTJHJTJT-UHFFFAOYSA-N -1 3 394.899 3.871 20 0 GHADHM O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1nnc2ccccc2c1[O-] ZINC000731867552 861938493 /nfs/dbraw/zinc/93/84/93/861938493.db2.gz WVLRENQQVPYZLW-UHFFFAOYSA-N -1 3 381.395 3.927 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1[O-] ZINC000531116781 849142963 /nfs/dbraw/zinc/14/29/63/849142963.db2.gz MGYHFRUITUWQFJ-KRWDZBQOSA-N -1 3 390.277 3.931 20 0 GHADHM O=C(N[C@H](Cc1cccnc1)C1CCCC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899868299 862031767 /nfs/dbraw/zinc/03/17/67/862031767.db2.gz YGEYOMWUJGZXJI-LJQANCHMSA-N -1 3 397.425 3.733 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1cc(F)ccc1Br ZINC000434949340 849937612 /nfs/dbraw/zinc/93/76/12/849937612.db2.gz BCDFOTGBBHBDGP-UHFFFAOYSA-N -1 3 384.270 3.598 20 0 GHADHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000514619810 850065603 /nfs/dbraw/zinc/06/56/03/850065603.db2.gz QLGOVEXTPFYISL-SNVBAGLBSA-N -1 3 385.744 3.657 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000667933800 862102446 /nfs/dbraw/zinc/10/24/46/862102446.db2.gz SHMGUCSKJGGHFM-UHFFFAOYSA-N -1 3 396.472 3.579 20 0 GHADHM COC(=O)c1sc2[n-]c(CSCc3c(F)cccc3F)nc(=O)c2c1C ZINC000518841536 850229846 /nfs/dbraw/zinc/22/98/46/850229846.db2.gz VDFLOLJHRKXPTN-UHFFFAOYSA-N -1 3 396.440 3.791 20 0 GHADHM O=C([O-])[C@]1(NC(=O)Nc2cccc(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC000908617238 850239066 /nfs/dbraw/zinc/23/90/66/850239066.db2.gz HRYBAVIKABQBQC-FQEVSTJZSA-N -1 3 387.867 3.581 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(F)ccc1Br ZINC000435226439 850242763 /nfs/dbraw/zinc/24/27/63/850242763.db2.gz MDKKJVJVYXPILV-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000518866977 850246455 /nfs/dbraw/zinc/24/64/55/850246455.db2.gz SSVIFIWWMPUIBM-UHFFFAOYSA-N -1 3 381.501 3.522 20 0 GHADHM CCCCC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749052 850321168 /nfs/dbraw/zinc/32/11/68/850321168.db2.gz LWFAAVRJWFJDPR-IRXDYDNUSA-N -1 3 395.569 3.854 20 0 GHADHM O=C([O-])[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCCC1 ZINC000908750325 850323416 /nfs/dbraw/zinc/32/34/16/850323416.db2.gz CUZLQQIVEJQUDR-PMACEKPBSA-N -1 3 387.524 3.546 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccsc1 ZINC000908801537 850369152 /nfs/dbraw/zinc/36/91/52/850369152.db2.gz IEQSJLHPUUADOM-JXFKEZNVSA-N -1 3 395.569 3.854 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000908807044 850373746 /nfs/dbraw/zinc/37/37/46/850373746.db2.gz SFQAGQRHDHQNAW-ZWKOTPCHSA-N -1 3 389.521 3.598 20 0 GHADHM CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000481722315 862130709 /nfs/dbraw/zinc/13/07/09/862130709.db2.gz XYIZETFAYAOHAH-ROUUACIJSA-N -1 3 399.491 3.552 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000518989883 850472997 /nfs/dbraw/zinc/47/29/97/850472997.db2.gz ZEALYZQGAQTFHN-ZIAGYGMSSA-N -1 3 393.484 3.511 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccnc3Cl)nc(=O)c2c1C ZINC000171350494 862132277 /nfs/dbraw/zinc/13/22/77/862132277.db2.gz VPRWQLPTYBWNIH-TWGQIWQCSA-N -1 3 396.255 3.865 20 0 GHADHM C[C@@H](Oc1cccnc1)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000435468464 850548170 /nfs/dbraw/zinc/54/81/70/850548170.db2.gz CUNSILXIYWMVKH-SNVBAGLBSA-N -1 3 377.231 3.606 20 0 GHADHM COCCSc1ccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000505128093 850650441 /nfs/dbraw/zinc/65/04/41/850650441.db2.gz BJMRNNYRAKLUFI-AWEZNQCLSA-N -1 3 382.485 3.758 20 0 GHADHM CCOc1cc(CNc2cccc(N3CCCNC3=O)c2)cc(Cl)c1[O-] ZINC000298561916 850665474 /nfs/dbraw/zinc/66/54/74/850665474.db2.gz WBGREACSQOMGPV-UHFFFAOYSA-N -1 3 375.856 3.976 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC000519164816 850710565 /nfs/dbraw/zinc/71/05/65/850710565.db2.gz ZRCNRKRTXDWSFR-WBVHZDCISA-N -1 3 387.835 3.817 20 0 GHADHM O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(Br)cc1[O-] ZINC000515205829 850783991 /nfs/dbraw/zinc/78/39/91/850783991.db2.gz FCGGNZLKISVVKS-UHFFFAOYSA-N -1 3 390.262 3.854 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccsc1 ZINC000519254934 850818843 /nfs/dbraw/zinc/81/88/43/850818843.db2.gz FGQPDARBYLDHFA-HNNXBMFYSA-N -1 3 392.468 3.527 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000120987115 850877015 /nfs/dbraw/zinc/87/70/15/850877015.db2.gz IGHAYIYWTFVQGA-UHFFFAOYSA-N -1 3 379.420 3.836 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]Cc2ccc(OC)cc2C(F)(F)F)s1 ZINC000522613803 862185086 /nfs/dbraw/zinc/18/50/86/862185086.db2.gz BEFCXEJUNGDXGU-UHFFFAOYSA-N -1 3 379.425 3.816 20 0 GHADHM O=C(CSCC(=O)c1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000121196722 862193233 /nfs/dbraw/zinc/19/32/33/862193233.db2.gz NYVSXZASOYNYFC-UHFFFAOYSA-N -1 3 380.263 3.709 20 0 GHADHM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2cccc(CN3CCCCC3)c2)n1 ZINC000910104640 851000660 /nfs/dbraw/zinc/00/06/60/851000660.db2.gz SDHAPNFJFGNXHB-GOSISDBHSA-N -1 3 399.516 3.805 20 0 GHADHM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000440284863 851005689 /nfs/dbraw/zinc/00/56/89/851005689.db2.gz SYTSPMVVNTZWIC-UHFFFAOYSA-N -1 3 388.489 3.795 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3cccc4cnccc43)c2C)s1 ZINC000519455981 851068972 /nfs/dbraw/zinc/06/89/72/851068972.db2.gz XNSCQTYCRQEGCN-UHFFFAOYSA-N -1 3 393.476 3.570 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000426643217 851103786 /nfs/dbraw/zinc/10/37/86/851103786.db2.gz NJIDRMHBSZPIPF-UGSOOPFHSA-N -1 3 387.929 3.504 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)C[C@H]2F)cc1 ZINC000425444967 851106595 /nfs/dbraw/zinc/10/65/95/851106595.db2.gz CKSOCZDFMHTMMN-APWZRJJASA-N -1 3 376.453 3.791 20 0 GHADHM COc1cc(Cl)c(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1Cl ZINC000426647760 851108832 /nfs/dbraw/zinc/10/88/32/851108832.db2.gz OWWRLQHWUAPJNN-MRXNPFEDSA-N -1 3 388.222 3.763 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc2cccnc21)c1cc(F)ccc1Cl ZINC000519490874 851131965 /nfs/dbraw/zinc/13/19/65/851131965.db2.gz WNHDJIFJVYQSBT-UHFFFAOYSA-N -1 3 394.855 3.775 20 0 GHADHM O=C([O-])c1coc(N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000910351071 851166471 /nfs/dbraw/zinc/16/64/71/851166471.db2.gz BRXMEQTTZOVJSU-UHFFFAOYSA-N -1 3 384.263 3.782 20 0 GHADHM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000910402560 851173915 /nfs/dbraw/zinc/17/39/15/851173915.db2.gz RFOCNZYTHUHTSY-INIZCTEOSA-N -1 3 399.800 3.702 20 0 GHADHM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000910510761 851233801 /nfs/dbraw/zinc/23/38/01/851233801.db2.gz KYHMHWWRHIXSBZ-SFHVURJKSA-N -1 3 392.515 3.633 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2F)n1 ZINC000515629819 851271645 /nfs/dbraw/zinc/27/16/45/851271645.db2.gz OHWLDTLPSXCMIB-UHFFFAOYSA-N -1 3 385.464 3.918 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000488230215 851281994 /nfs/dbraw/zinc/28/19/94/851281994.db2.gz KGHRYPHTGQXRFB-OALUTQOASA-N -1 3 375.490 3.732 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1C(F)(F)F ZINC000436172030 851300512 /nfs/dbraw/zinc/30/05/12/851300512.db2.gz DLQDDVTVLVLPIM-UHFFFAOYSA-N -1 3 387.379 3.592 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000473631435 851312813 /nfs/dbraw/zinc/31/28/13/851312813.db2.gz XLYJYIQOSLHLPF-UHFFFAOYSA-N -1 3 390.374 3.573 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(F)(F)F ZINC000443944048 862230719 /nfs/dbraw/zinc/23/07/19/862230719.db2.gz OYDVDIWVAZEEGJ-MEBBXXQBSA-N -1 3 376.400 3.905 20 0 GHADHM CC1CCN([C@@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2cccs2)CC1 ZINC000911101362 851571181 /nfs/dbraw/zinc/57/11/81/851571181.db2.gz FYBQHFGUSCHGBR-INIZCTEOSA-N -1 3 390.549 3.672 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000911110031 851578875 /nfs/dbraw/zinc/57/88/75/851578875.db2.gz WTIDKQDPHYORLB-LPHOPBHVSA-N -1 3 398.528 3.819 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000443950810 862261044 /nfs/dbraw/zinc/26/10/44/862261044.db2.gz RXLZZLLPNZGCCY-MRXNPFEDSA-N -1 3 386.249 3.596 20 0 GHADHM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2cccnc2)cc(C)c1OCC(F)(F)F ZINC000519554672 851608388 /nfs/dbraw/zinc/60/83/88/851608388.db2.gz WPXAFNPLJRGANO-MRXNPFEDSA-N -1 3 382.382 3.897 20 0 GHADHM CCCCc1noc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000053020500 851614595 /nfs/dbraw/zinc/61/45/95/851614595.db2.gz SFPPWUWAJOPTMY-UHFFFAOYSA-N -1 3 392.887 3.622 20 0 GHADHM O=C(Nc1cccc(OCc2cscn2)c1)c1c[n-]c2ccccc2c1=O ZINC000101523530 851620803 /nfs/dbraw/zinc/62/08/03/851620803.db2.gz ZHWQTNXXOCLOFQ-UHFFFAOYSA-N -1 3 377.425 3.816 20 0 GHADHM O=S(=O)([N-]CCCc1nc2c(s1)CCCC2)c1cc(F)ccc1Cl ZINC000488672075 851686472 /nfs/dbraw/zinc/68/64/72/851686472.db2.gz MRDUBYHGZPXDLN-UHFFFAOYSA-N -1 3 388.917 3.726 20 0 GHADHM Cc1cc(C)c(OCC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000488672647 851687417 /nfs/dbraw/zinc/68/74/17/851687417.db2.gz FWKRJKJMJKTODE-UHFFFAOYSA-N -1 3 378.266 3.775 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000488689803 851697206 /nfs/dbraw/zinc/69/72/06/851697206.db2.gz XHOBLSMXYLTILF-UHFFFAOYSA-N -1 3 391.196 3.879 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3nc(C)oc3c2)[nH][n-]1 ZINC000473703307 851718722 /nfs/dbraw/zinc/71/87/22/851718722.db2.gz WTOUHBJYUVZMIW-UHFFFAOYSA-N -1 3 382.807 3.863 20 0 GHADHM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488731109 851737666 /nfs/dbraw/zinc/73/76/66/851737666.db2.gz WVRPCDGAMVGRSY-LLVKDONJSA-N -1 3 385.844 3.507 20 0 GHADHM COCCC(C)(C)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000546074373 851920434 /nfs/dbraw/zinc/92/04/34/851920434.db2.gz URXFFNZWBMPZLI-UHFFFAOYSA-N -1 3 388.942 3.805 20 0 GHADHM CCn1cc(CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C(C)C)cn1 ZINC000911897245 851950165 /nfs/dbraw/zinc/95/01/65/851950165.db2.gz KJKASMJZBARYAI-UHFFFAOYSA-N -1 3 393.513 3.757 20 0 GHADHM O=S(=O)([N-]c1ccccc1Br)c1cnc2ccc(F)cc2c1 ZINC000436475443 851963947 /nfs/dbraw/zinc/96/39/47/851963947.db2.gz BJFNBKUKHZDUAT-UHFFFAOYSA-N -1 3 381.226 3.937 20 0 GHADHM COc1ccc2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)[n-]c(=O)c2c1 ZINC000507711193 851982058 /nfs/dbraw/zinc/98/20/58/851982058.db2.gz WZWXLWLZALHSCT-UHFFFAOYSA-N -1 3 377.322 3.988 20 0 GHADHM CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc(C)ccc3[O-])cn2)cc1 ZINC000436488363 851982722 /nfs/dbraw/zinc/98/27/22/851982722.db2.gz VQDHZLRDKKHJNP-UHFFFAOYSA-N -1 3 396.472 3.510 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([O-])c1 ZINC000436530433 852020995 /nfs/dbraw/zinc/02/09/95/852020995.db2.gz CBBHJNOIIXYTEP-OAHLLOKOSA-N -1 3 381.407 3.910 20 0 GHADHM CCC[C@H](NC(=O)c1ccccc1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436542658 852055159 /nfs/dbraw/zinc/05/51/59/852055159.db2.gz IEDUDOZUCPHIGF-IBGZPJMESA-N -1 3 381.476 3.530 20 0 GHADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436545889 852058721 /nfs/dbraw/zinc/05/87/21/852058721.db2.gz NNJPYHYVAIISBY-HOTGVXAUSA-N -1 3 382.460 3.561 20 0 GHADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436545891 852058931 /nfs/dbraw/zinc/05/89/31/852058931.db2.gz NNJPYHYVAIISBY-JKSUJKDBSA-N -1 3 382.460 3.561 20 0 GHADHM CN1CCc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])sc2C1 ZINC000436559781 852063083 /nfs/dbraw/zinc/06/30/83/852063083.db2.gz ZIBGGIXPWYCSOT-UHFFFAOYSA-N -1 3 395.484 3.668 20 0 GHADHM O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436560478 852063112 /nfs/dbraw/zinc/06/31/12/852063112.db2.gz FWFCROLRXQXCEG-UHFFFAOYSA-N -1 3 390.395 3.554 20 0 GHADHM NC(=O)Nc1cccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436559616 852063181 /nfs/dbraw/zinc/06/31/81/852063181.db2.gz AKDRAFLGOREDJF-UHFFFAOYSA-N -1 3 377.400 3.605 20 0 GHADHM CCc1ncsc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436559149 852063293 /nfs/dbraw/zinc/06/32/93/852063293.db2.gz TYAHXCWDOWPNAL-SFHVURJKSA-N -1 3 395.484 3.911 20 0 GHADHM O=C(NCc1csc2ccccc12)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436561504 852065054 /nfs/dbraw/zinc/06/50/54/852065054.db2.gz HTXLLROMIITNQX-QGZVFWFLSA-N -1 3 380.469 3.528 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c([O-])c1 ZINC000436561141 852065270 /nfs/dbraw/zinc/06/52/70/852065270.db2.gz DSMGAPOPPTZBCP-OAHLLOKOSA-N -1 3 399.466 3.905 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000436570629 852073627 /nfs/dbraw/zinc/07/36/27/852073627.db2.gz ADJRMTXLGFLGIB-FQEVSTJZSA-N -1 3 393.405 3.707 20 0 GHADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(Cl)c1 ZINC000436593577 852080779 /nfs/dbraw/zinc/08/07/79/852080779.db2.gz CSIDTHDHQNBGMJ-AWEZNQCLSA-N -1 3 386.879 3.570 20 0 GHADHM CCc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cnn1C(CC)CC ZINC000436595241 852082565 /nfs/dbraw/zinc/08/25/65/852082565.db2.gz LOJJYYGZOSOLFD-LJQANCHMSA-N -1 3 398.507 3.756 20 0 GHADHM [O-]c1ccccc1-c1nc(COc2ccc(I)cc2)no1 ZINC000436586039 852094030 /nfs/dbraw/zinc/09/40/30/852094030.db2.gz URIOPVJOURKEMD-UHFFFAOYSA-N -1 3 394.168 3.626 20 0 GHADHM CC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)C1CCC(C)CC1 ZINC000436618554 852098461 /nfs/dbraw/zinc/09/84/61/852098461.db2.gz SFONHSHFELDMDG-FAFZWHIHSA-N -1 3 386.536 3.966 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000027396083 852098548 /nfs/dbraw/zinc/09/85/48/852098548.db2.gz JYMATEKLZZWAPM-UHFFFAOYSA-N -1 3 397.862 3.916 20 0 GHADHM CC(C)c1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)c([O-])c1 ZINC000436610470 852110581 /nfs/dbraw/zinc/11/05/81/852110581.db2.gz YEVMDKMCRSNTNY-UHFFFAOYSA-N -1 3 398.322 3.974 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2[O-])N2CCCC2)o1 ZINC000436629643 852123940 /nfs/dbraw/zinc/12/39/40/852123940.db2.gz WGNXETJHFRXGRA-OAHLLOKOSA-N -1 3 393.281 3.623 20 0 GHADHM COc1cc(CNC(=O)c2c([O-])cccc2O)ccc1OCc1ccccc1 ZINC000436633629 852128529 /nfs/dbraw/zinc/12/85/29/852128529.db2.gz IOKVVJLGHPOHNF-UHFFFAOYSA-N -1 3 379.412 3.615 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCC[C@H](C)C3)cs2)c1 ZINC000436637163 852131863 /nfs/dbraw/zinc/13/18/63/852131863.db2.gz ZFXBTNNTSDRFRY-GXTWGEPZSA-N -1 3 387.505 3.647 20 0 GHADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436662689 852159850 /nfs/dbraw/zinc/15/98/50/852159850.db2.gz JNGLVCHFCZFEHK-ROUUACIJSA-N -1 3 377.481 3.609 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCc3ccc4c(c3)OCO4)nc2)n1 ZINC000517602777 852161270 /nfs/dbraw/zinc/16/12/70/852161270.db2.gz RSISZICFNIIKCK-AWEZNQCLSA-N -1 3 392.459 3.969 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000436666836 852163463 /nfs/dbraw/zinc/16/34/63/852163463.db2.gz RIQDPKJJZMKJIU-HNNXBMFYSA-N -1 3 380.444 3.786 20 0 GHADHM C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(O)cc1[O-])OCCO3 ZINC000436673405 852173655 /nfs/dbraw/zinc/17/36/55/852173655.db2.gz KFNWEHLLRHBIOR-AWEZNQCLSA-N -1 3 395.455 3.898 20 0 GHADHM COc1cc(-c2nc([C@H](OC)c3ccccc3Cl)no2)cc(OC)c1[O-] ZINC000436692979 852203598 /nfs/dbraw/zinc/20/35/98/852203598.db2.gz ZKLVJEFNWFJILH-MRXNPFEDSA-N -1 3 376.796 3.849 20 0 GHADHM CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436695000 852207667 /nfs/dbraw/zinc/20/76/67/852207667.db2.gz CLNCLJPIHMIEFT-HXUWFJFHSA-N -1 3 394.515 3.698 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1 ZINC000112266844 852211165 /nfs/dbraw/zinc/21/11/65/852211165.db2.gz WSKRBZMZTZAGRG-UHFFFAOYSA-N -1 3 381.519 3.509 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000436698221 852214943 /nfs/dbraw/zinc/21/49/43/852214943.db2.gz PFEWTFZXENJYIQ-FQEVSTJZSA-N -1 3 394.515 3.708 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c([O-])c1 ZINC000436707444 852226204 /nfs/dbraw/zinc/22/62/04/852226204.db2.gz RWJMRQMBELWLFG-UHFFFAOYSA-N -1 3 391.427 3.975 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710443 852231831 /nfs/dbraw/zinc/23/18/31/852231831.db2.gz UJVFULBMAMFLSL-APPDUMDISA-N -1 3 381.350 3.719 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2F)c1 ZINC000436715744 852238063 /nfs/dbraw/zinc/23/80/63/852238063.db2.gz QKHPZCPZSDUOET-VIFPVBQESA-N -1 3 395.228 3.743 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473845335 852252063 /nfs/dbraw/zinc/25/20/63/852252063.db2.gz VOYNLRFVOQURPE-CYBMUJFWSA-N -1 3 384.263 3.788 20 0 GHADHM CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436735261 852252775 /nfs/dbraw/zinc/25/27/75/852252775.db2.gz CDCJIXAUQSWRIH-QGZVFWFLSA-N -1 3 382.460 3.563 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000473849272 852264001 /nfs/dbraw/zinc/26/40/01/852264001.db2.gz KCPGJSBQLJUJNQ-NRFANRHFSA-N -1 3 399.454 3.788 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c([O-])c1C ZINC000436746097 852266227 /nfs/dbraw/zinc/26/62/27/852266227.db2.gz DDQIIKRTAPUAGP-UHFFFAOYSA-N -1 3 380.419 3.919 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436734791 852276272 /nfs/dbraw/zinc/27/62/72/852276272.db2.gz CUKJKLZNSPEVFN-OZOXKJRCSA-N -1 3 380.488 3.806 20 0 GHADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436757917 852276731 /nfs/dbraw/zinc/27/67/31/852276731.db2.gz WMTXLVKRUWMEQA-UHFFFAOYSA-N -1 3 398.440 3.808 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000426720890 852305552 /nfs/dbraw/zinc/30/55/52/852305552.db2.gz POCHDNXCPQOHJP-YVEFUNNKSA-N -1 3 390.277 3.936 20 0 GHADHM COc1cccc(-n2ccnc2SCc2noc(-c3ccccc3[O-])n2)c1 ZINC000436774278 852308422 /nfs/dbraw/zinc/30/84/22/852308422.db2.gz ALDLQYUHXANBSK-UHFFFAOYSA-N -1 3 380.429 3.929 20 0 GHADHM COC1(CNC(=O)c2cc(NC(C)=O)ccc2[O-])CCC(c2ccccc2)CC1 ZINC000436775319 852310523 /nfs/dbraw/zinc/31/05/23/852310523.db2.gz ZOWLOECNZRNIDF-UHFFFAOYSA-N -1 3 396.487 3.823 20 0 GHADHM COc1ccc2nc(CN[C@@H](Cc3c(F)cccc3Cl)C(=O)[O-])sc2c1 ZINC000426725532 852310878 /nfs/dbraw/zinc/31/08/78/852310878.db2.gz ZQIWUELMDNZPAD-HNNXBMFYSA-N -1 3 394.855 3.883 20 0 GHADHM O=C([O-])[C@H](CSCc1cccc2cccnc21)NCc1cc(F)ccc1F ZINC000426729825 852322674 /nfs/dbraw/zinc/32/26/74/852322674.db2.gz HDGSPPCBIJJFPG-SFHVURJKSA-N -1 3 388.439 3.989 20 0 GHADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccc(Cl)cc1Cl ZINC000426731065 852323064 /nfs/dbraw/zinc/32/30/64/852323064.db2.gz CKSKKWSBAYMVDM-QGZVFWFLSA-N -1 3 379.287 3.989 20 0 GHADHM O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1ccc2ccccc2c1[O-] ZINC000436782933 852334936 /nfs/dbraw/zinc/33/49/36/852334936.db2.gz DTTOYJBGKMAJHT-UHFFFAOYSA-N -1 3 388.427 3.511 20 0 GHADHM COc1cccc(CSC[C@H](NCc2ccc(OC)cc2Cl)C(=O)[O-])c1 ZINC000426752875 852358586 /nfs/dbraw/zinc/35/85/86/852358586.db2.gz FVLDMBOXRIZCEN-SFHVURJKSA-N -1 3 395.908 3.833 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2ccc(OC)cc2Cl)C(=O)[O-])c1 ZINC000426752874 852358779 /nfs/dbraw/zinc/35/87/79/852358779.db2.gz FVLDMBOXRIZCEN-GOSISDBHSA-N -1 3 395.908 3.833 20 0 GHADHM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(F)ccc2[O-])nn1-c1ccccc1 ZINC000436805161 852363804 /nfs/dbraw/zinc/36/38/04/852363804.db2.gz CWHPCXHSCIUSDE-UHFFFAOYSA-N -1 3 397.406 3.925 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000426761442 852370357 /nfs/dbraw/zinc/37/03/57/852370357.db2.gz AOZIQXKLYNGXHD-QGZVFWFLSA-N -1 3 391.851 3.816 20 0 GHADHM CCc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c([O-])c1 ZINC000436813279 852373376 /nfs/dbraw/zinc/37/33/76/852373376.db2.gz ZIINXDMPGLVCOC-UHFFFAOYSA-N -1 3 381.259 3.972 20 0 GHADHM CCc1ccc(C(=O)N(C)CCCCNC(=O)c2ccc(CC)cc2O)c([O-])c1 ZINC000436828889 852378375 /nfs/dbraw/zinc/37/83/75/852378375.db2.gz JPKVXZKGUPRASY-UHFFFAOYSA-N -1 3 398.503 3.505 20 0 GHADHM CCc1ccc(C(=O)NCCCCN(C)C(=O)c2ccc(CC)cc2O)c([O-])c1 ZINC000436828889 852378384 /nfs/dbraw/zinc/37/83/84/852378384.db2.gz JPKVXZKGUPRASY-UHFFFAOYSA-N -1 3 398.503 3.505 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436831182 852380020 /nfs/dbraw/zinc/38/00/20/852380020.db2.gz XJVDXJXMOBJPLT-UTKZUKDTSA-N -1 3 380.488 3.507 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c([O-])c1 ZINC000436830887 852380176 /nfs/dbraw/zinc/38/01/76/852380176.db2.gz OEUIEERISLFJQP-QGZVFWFLSA-N -1 3 392.455 3.735 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OCc1cccnc1 ZINC000426776518 852382493 /nfs/dbraw/zinc/38/24/93/852382493.db2.gz GQGIKEGWEWUNKO-NRFANRHFSA-N -1 3 396.418 3.724 20 0 GHADHM CCOc1cc(-c2noc(CN(CC)C3CC3)n2)cc(Br)c1[O-] ZINC000436824615 852393666 /nfs/dbraw/zinc/39/36/66/852393666.db2.gz HWPZYCIFHCOGMR-UHFFFAOYSA-N -1 3 382.258 3.588 20 0 GHADHM CCc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436850982 852417168 /nfs/dbraw/zinc/41/71/68/852417168.db2.gz KAFPVPHUYSNIDU-CTNGQTDRSA-N -1 3 392.499 3.575 20 0 GHADHM Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000031872694 852430873 /nfs/dbraw/zinc/43/08/73/852430873.db2.gz AUVDZOJEZXVBNO-UHFFFAOYSA-N -1 3 378.469 3.690 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(F)c1 ZINC000426824432 852437138 /nfs/dbraw/zinc/43/71/38/852437138.db2.gz HWBJPHROOQNPSC-QGZVFWFLSA-N -1 3 393.340 3.946 20 0 GHADHM C[C@@H]1CCc2nc(CN[C@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])sc2C1 ZINC000426827906 852441166 /nfs/dbraw/zinc/44/11/66/852441166.db2.gz XOFPNZSVFLBWLU-IAQYHMDHSA-N -1 3 396.459 3.655 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436903735 852469030 /nfs/dbraw/zinc/46/90/30/852469030.db2.gz OALHRKFTGLUQKW-CZAAIQMYSA-N -1 3 380.488 3.948 20 0 GHADHM CN(C)S(=O)(=O)c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000436906164 852471366 /nfs/dbraw/zinc/47/13/66/852471366.db2.gz CKBQCPKLLOFRHZ-UHFFFAOYSA-N -1 3 395.440 3.513 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000436896809 852482699 /nfs/dbraw/zinc/48/26/99/852482699.db2.gz NZJPDOULWMLSDW-QFBILLFUSA-N -1 3 393.405 3.758 20 0 GHADHM COC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])[C@H](C)C2)cc1 ZINC000436902073 852487241 /nfs/dbraw/zinc/48/72/41/852487241.db2.gz IUFBWQJFDJFKPL-MRXNPFEDSA-N -1 3 396.487 3.653 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436915247 852492941 /nfs/dbraw/zinc/49/29/41/852492941.db2.gz PKULGYRTKGCDQS-LZJOCLMNSA-N -1 3 380.488 3.806 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)c([O-])c1 ZINC000436922459 852504714 /nfs/dbraw/zinc/50/47/14/852504714.db2.gz YFPPXRGLYKOVKN-NSHDSACASA-N -1 3 394.269 3.615 20 0 GHADHM CCc1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F ZINC000436923916 852505676 /nfs/dbraw/zinc/50/56/76/852505676.db2.gz VMGOYZIFEBPNEC-UHFFFAOYSA-N -1 3 385.439 3.520 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436949533 852513958 /nfs/dbraw/zinc/51/39/58/852513958.db2.gz KUWNXJUDMKMCBL-IBGZPJMESA-N -1 3 380.444 3.641 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)cc(Cl)c1 ZINC000436948368 852530096 /nfs/dbraw/zinc/53/00/96/852530096.db2.gz WKIFLPBSAUCREC-UHFFFAOYSA-N -1 3 393.270 3.734 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])o1 ZINC000436960600 852532278 /nfs/dbraw/zinc/53/22/78/852532278.db2.gz KNLAZQQIWGPLEQ-LBPRGKRZSA-N -1 3 397.431 3.593 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489721570 852533467 /nfs/dbraw/zinc/53/34/67/852533467.db2.gz WOBVRYPLKYNUMO-QMMMGPOBSA-N -1 3 377.306 3.581 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cn4ccc(Br)cc4n3)no2)c1 ZINC000436955936 852545175 /nfs/dbraw/zinc/54/51/75/852545175.db2.gz NSNCRCBLMDKTNY-UHFFFAOYSA-N -1 3 387.193 3.528 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC(C)C)C(C)C)cs2)c1 ZINC000436981887 852570202 /nfs/dbraw/zinc/57/02/02/852570202.db2.gz VVNKSRRWGYPARQ-UHFFFAOYSA-N -1 3 389.521 3.845 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2ccccc2)c1 ZINC000436989954 852579467 /nfs/dbraw/zinc/57/94/67/852579467.db2.gz PXTDCIPBYUQTDL-UHFFFAOYSA-N -1 3 375.428 3.611 20 0 GHADHM CC[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC000437007397 852602929 /nfs/dbraw/zinc/60/29/29/852602929.db2.gz VAVLTQAEUUKWQD-MRXNPFEDSA-N -1 3 376.859 3.751 20 0 GHADHM COc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c([O-])c1 ZINC000437001194 852616541 /nfs/dbraw/zinc/61/65/41/852616541.db2.gz ODCPTHBIUKDGMB-CQSZACIVSA-N -1 3 390.277 3.868 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000506293468 852626681 /nfs/dbraw/zinc/62/66/81/852626681.db2.gz GDDBGNURNRSZSK-UHFFFAOYSA-N -1 3 380.517 3.537 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000506310837 852667995 /nfs/dbraw/zinc/66/79/95/852667995.db2.gz ZHXDIAXKSDOZIJ-UHFFFAOYSA-N -1 3 379.460 3.741 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Cc5nnn[n-]5)cc4)cc3c2C1 ZINC000427070410 852690214 /nfs/dbraw/zinc/69/02/14/852690214.db2.gz UQLWOSVOTMWVBL-ZDUSSCGKSA-N -1 3 386.459 3.649 20 0 GHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Cc5nn[n-]n5)cc4)cc3c2C1 ZINC000427070410 852690216 /nfs/dbraw/zinc/69/02/16/852690216.db2.gz UQLWOSVOTMWVBL-ZDUSSCGKSA-N -1 3 386.459 3.649 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000507247368 852716710 /nfs/dbraw/zinc/71/67/10/852716710.db2.gz NWNKVBJNOXHHHA-UHFFFAOYSA-N -1 3 390.172 3.700 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCOc3c(C)cccc3C)cc2)cc(=O)[n-]1 ZINC000505973538 852758159 /nfs/dbraw/zinc/75/81/59/852758159.db2.gz KWQAYVYRPIFUQO-UHFFFAOYSA-N -1 3 392.459 3.975 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)oc21 ZINC000507288821 852762561 /nfs/dbraw/zinc/76/25/61/852762561.db2.gz HLKPVQYHQNBHLA-UHFFFAOYSA-N -1 3 397.232 3.963 20 0 GHADHM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)c1ccc(CN2CCCCC2)cc1 ZINC000490317077 852918882 /nfs/dbraw/zinc/91/88/82/852918882.db2.gz VSKLRYLYELTVEA-KHPPLWFESA-N -1 3 394.500 3.962 20 0 GHADHM CCCCc1n[n-]c(=NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000490339071 852945115 /nfs/dbraw/zinc/94/51/15/852945115.db2.gz HCHLBVBDCMYQMQ-KRWDZBQOSA-N -1 3 387.553 3.570 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752636 862415183 /nfs/dbraw/zinc/41/51/83/862415183.db2.gz LJOIBYAGNLODDE-NXEZZACHSA-N -1 3 385.247 3.753 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000473859727 853028796 /nfs/dbraw/zinc/02/87/96/853028796.db2.gz VNIMLTPUBCSTBL-NRFANRHFSA-N -1 3 386.455 3.938 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC000894848093 853068791 /nfs/dbraw/zinc/06/87/91/853068791.db2.gz HYILADLJCMWECT-HNNXBMFYSA-N -1 3 382.410 3.962 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC000604692485 862425518 /nfs/dbraw/zinc/42/55/18/862425518.db2.gz HWBJDYINUOMGTI-UHFFFAOYSA-N -1 3 375.837 3.647 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000490644769 853145780 /nfs/dbraw/zinc/14/57/80/853145780.db2.gz OEPMNWUXSUVDJM-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1 ZINC000507646060 853147652 /nfs/dbraw/zinc/14/76/52/853147652.db2.gz VFZYFWKYCXCBOB-UHFFFAOYSA-N -1 3 393.505 3.674 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1 ZINC000438984415 853159052 /nfs/dbraw/zinc/15/90/52/853159052.db2.gz KFFWECPESFBQDJ-UHFFFAOYSA-N -1 3 396.459 3.855 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc(F)cc1Cl ZINC000913297596 853221375 /nfs/dbraw/zinc/22/13/75/853221375.db2.gz ZKZQDZAVQXFECB-SECBINFHSA-N -1 3 377.759 3.646 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000913297596 853221384 /nfs/dbraw/zinc/22/13/84/853221384.db2.gz ZKZQDZAVQXFECB-SECBINFHSA-N -1 3 377.759 3.646 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913302119 853225492 /nfs/dbraw/zinc/22/54/92/853225492.db2.gz OESJECSFYTURPA-UONOGXRCSA-N -1 3 381.432 3.655 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913302119 853225503 /nfs/dbraw/zinc/22/55/03/853225503.db2.gz OESJECSFYTURPA-UONOGXRCSA-N -1 3 381.432 3.655 20 0 GHADHM O=C1[N-]C(=O)C(=Cc2nc(-c3ccc(Br)cc3)c[nH]2)c2ccccc21 ZINC000732713709 862441592 /nfs/dbraw/zinc/44/15/92/862441592.db2.gz GEJFGJGEFXHILE-DHDCSXOGSA-N -1 3 394.228 3.650 20 0 GHADHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000517088138 853366854 /nfs/dbraw/zinc/36/68/54/853366854.db2.gz STWZDJGRZYEQND-KWQFWETISA-N -1 3 386.233 3.935 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000669115769 853385728 /nfs/dbraw/zinc/38/57/28/853385728.db2.gz CCJUWKQDCIUICH-UHFFFAOYSA-N -1 3 397.399 3.716 20 0 GHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000518488983 853403303 /nfs/dbraw/zinc/40/33/03/853403303.db2.gz GGTFUNAZWOLIDY-INIZCTEOSA-N -1 3 381.473 3.509 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc(Cl)c1F ZINC000604769915 862463479 /nfs/dbraw/zinc/46/34/79/862463479.db2.gz LWOSBOMYCNUGCV-CYBMUJFWSA-N -1 3 386.851 3.566 20 0 GHADHM CCCC(=O)NC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000586751582 853522102 /nfs/dbraw/zinc/52/21/02/853522102.db2.gz MNBGRABQHDYSNU-UHFFFAOYSA-N -1 3 394.515 3.698 20 0 GHADHM COc1ccccc1[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC1 ZINC000054893245 853592278 /nfs/dbraw/zinc/59/22/78/853592278.db2.gz BAUYVKDLZAABPP-KWJZBXMYSA-N -1 3 383.448 3.955 20 0 GHADHM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000604788049 862485395 /nfs/dbraw/zinc/48/53/95/862485395.db2.gz DLWBAPKGDWOHDO-HNNXBMFYSA-N -1 3 384.480 3.550 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3c3ccccn3)cc2)cc(=O)[n-]1 ZINC000519946021 853639077 /nfs/dbraw/zinc/63/90/77/853639077.db2.gz MPGOZLKRBFDUTH-LJQANCHMSA-N -1 3 375.432 3.922 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000055137463 853679610 /nfs/dbraw/zinc/67/96/10/853679610.db2.gz SDPAKPDQWNNDEO-UHFFFAOYSA-N -1 3 381.476 3.613 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)o2)c(C)c1 ZINC000481911831 862509789 /nfs/dbraw/zinc/50/97/89/862509789.db2.gz SKMLJXKYSHUBTD-UHFFFAOYSA-N -1 3 394.353 3.542 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(Oc4ccc(Cl)cc4)CC3)nc21 ZINC000550322856 854069781 /nfs/dbraw/zinc/06/97/81/854069781.db2.gz WPUFUZPSMIBLTQ-UHFFFAOYSA-N -1 3 385.807 3.553 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000520374214 854130406 /nfs/dbraw/zinc/13/04/06/854130406.db2.gz VPUQAWJHFFADAY-UHFFFAOYSA-N -1 3 385.427 3.866 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000047034996 854307342 /nfs/dbraw/zinc/30/73/42/854307342.db2.gz ZBAIPWVAZDDFMV-BBRMVZONSA-N -1 3 393.915 3.984 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccn(Cc2ccccc2)c1=O ZINC000068080740 854547787 /nfs/dbraw/zinc/54/77/87/854547787.db2.gz WSWNBXIUUAWJIM-UHFFFAOYSA-N -1 3 399.244 3.617 20 0 GHADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2cc(Br)c(Cl)cc21 ZINC000669721310 862580818 /nfs/dbraw/zinc/58/08/18/862580818.db2.gz YIGUJIVJRBYARL-UHFFFAOYSA-N -1 3 395.619 3.716 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)[nH][n-]1 ZINC000588926732 854597241 /nfs/dbraw/zinc/59/72/41/854597241.db2.gz CJIUZIQNQAGHHA-ZDUSSCGKSA-N -1 3 385.851 3.875 20 0 GHADHM C[C@H](N[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nccn1C ZINC000624016098 862585114 /nfs/dbraw/zinc/58/51/14/862585114.db2.gz NPFHBJLYZULHLP-HOTGVXAUSA-N -1 3 384.505 3.633 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1C1CC1)c1cccc(OC(F)(F)F)c1F ZINC001212158007 854872325 /nfs/dbraw/zinc/87/23/25/854872325.db2.gz HJAVSIDCYZYFCQ-VXGBXAGGSA-N -1 3 381.391 3.829 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1 ZINC000520451162 854885520 /nfs/dbraw/zinc/88/55/20/854885520.db2.gz GDZKACOZNZTKKU-UHFFFAOYSA-N -1 3 393.505 3.837 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000157132555 855046149 /nfs/dbraw/zinc/04/61/49/855046149.db2.gz MEBVODGRHSXADH-UHFFFAOYSA-N -1 3 387.461 3.608 20 0 GHADHM CCc1nc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cs1 ZINC000520466946 855087530 /nfs/dbraw/zinc/08/75/30/855087530.db2.gz LEQGSYJGNMVEIA-UHFFFAOYSA-N -1 3 383.477 3.840 20 0 GHADHM CCN(Cc1c[nH]c2ccccc12)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000189575923 855124735 /nfs/dbraw/zinc/12/47/35/855124735.db2.gz ZVFSPMMSKPAOGY-HXUWFJFHSA-N -1 3 391.471 3.527 20 0 GHADHM Cn1ncc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1C(F)(F)F ZINC000589916667 855200606 /nfs/dbraw/zinc/20/06/06/855200606.db2.gz SKGLJNINENPDDR-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590081072 855260384 /nfs/dbraw/zinc/26/03/84/855260384.db2.gz GGRJPZUSIKLEEG-GDBMZVCRSA-N -1 3 397.541 3.937 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1coc(Br)c1 ZINC000106704125 855283670 /nfs/dbraw/zinc/28/36/70/855283670.db2.gz HZYVERKHVWCZMD-UHFFFAOYSA-N -1 3 382.214 3.876 20 0 GHADHM C[C@H]1CCSCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000190136395 855285585 /nfs/dbraw/zinc/28/55/85/855285585.db2.gz DHNWWWSUIRQQCX-OXJNMPFZSA-N -1 3 398.528 3.607 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000190408056 855314554 /nfs/dbraw/zinc/31/45/54/855314554.db2.gz IBTPQHYMRMBNOG-MRXNPFEDSA-N -1 3 390.524 3.586 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]c1nn2cnnc2s1 ZINC000590295861 855350785 /nfs/dbraw/zinc/35/07/85/855350785.db2.gz NAYRNCKPQPUXDG-UHFFFAOYSA-N -1 3 376.854 3.523 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1C ZINC000055632314 855363016 /nfs/dbraw/zinc/36/30/16/855363016.db2.gz URKUJOQNHVTUTI-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM Cc1ccc(C)c(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482080992 862677637 /nfs/dbraw/zinc/67/76/37/862677637.db2.gz JLWVPOHPKNJZNI-UHFFFAOYSA-N -1 3 387.281 3.799 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H]1C ZINC000053086392 855565054 /nfs/dbraw/zinc/56/50/54/855565054.db2.gz MISLTURNLYNYGB-XJKCOSOUSA-N -1 3 393.484 3.509 20 0 GHADHM Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ncccc1[O-] ZINC000180990486 862707914 /nfs/dbraw/zinc/70/79/14/862707914.db2.gz VYZKAGGSQRWVIL-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1C ZINC000573004256 855684843 /nfs/dbraw/zinc/68/48/43/855684843.db2.gz USVCSJDSTKDIQV-SWLSCSKDSA-N -1 3 382.382 3.547 20 0 GHADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417629516 855757142 /nfs/dbraw/zinc/75/71/42/855757142.db2.gz QKLZBUSILZIWNN-MRXNPFEDSA-N -1 3 397.441 3.972 20 0 GHADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccc(C)cc1 ZINC000542777949 855761368 /nfs/dbraw/zinc/76/13/68/855761368.db2.gz QVPWLMLXZDUKKD-UHFFFAOYSA-N -1 3 376.420 3.682 20 0 GHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000591238547 855840096 /nfs/dbraw/zinc/84/00/96/855840096.db2.gz LOQYXETUUCMPOZ-KRWDZBQOSA-N -1 3 393.484 3.605 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnn(Cc2ccccc2Cl)c1 ZINC000520632097 855870300 /nfs/dbraw/zinc/87/03/00/855870300.db2.gz ROLXAJDFQOOJPO-UHFFFAOYSA-N -1 3 377.835 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c(F)c1 ZINC000591387244 855941819 /nfs/dbraw/zinc/94/18/19/855941819.db2.gz DWQQBRUGRJEEME-NSHDSACASA-N -1 3 383.395 3.918 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1 ZINC000591366577 855951926 /nfs/dbraw/zinc/95/19/26/855951926.db2.gz IGURWVXIZPAEBX-UHFFFAOYSA-N -1 3 386.395 3.648 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cc(F)cc(Cl)c2)sc1Cl ZINC000785404571 855978407 /nfs/dbraw/zinc/97/84/07/855978407.db2.gz ZPYDNKDHDVCUIK-LLVKDONJSA-N -1 3 384.281 3.514 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccsc3C(F)(F)F)no2)c([O-])c1 ZINC000904924192 856075758 /nfs/dbraw/zinc/07/57/58/856075758.db2.gz NYQWXJKPWGZFAT-UHFFFAOYSA-N -1 3 397.378 3.803 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482160039 862755668 /nfs/dbraw/zinc/75/56/68/862755668.db2.gz QZTWIHBEJLZNLF-UHFFFAOYSA-N -1 3 399.701 3.898 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C)nc1C ZINC000485101490 856092200 /nfs/dbraw/zinc/09/22/00/856092200.db2.gz BSFSGAGWUBZBPV-UHFFFAOYSA-N -1 3 375.388 3.685 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C)nc1C ZINC000485101490 856092216 /nfs/dbraw/zinc/09/22/16/856092216.db2.gz BSFSGAGWUBZBPV-UHFFFAOYSA-N -1 3 375.388 3.685 20 0 GHADHM COC(=O)c1ccc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485101465 856092499 /nfs/dbraw/zinc/09/24/99/856092499.db2.gz BQTLKWWABRGIBR-UHFFFAOYSA-N -1 3 390.399 3.576 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccncc1Br ZINC000485115722 856113830 /nfs/dbraw/zinc/11/38/30/856113830.db2.gz YDEXEFLLESTFHW-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM CCC[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000280921717 862765487 /nfs/dbraw/zinc/76/54/87/862765487.db2.gz FFYQQPPFRHEWII-INIZCTEOSA-N -1 3 385.430 3.628 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2csc(-c3cccs3)n2)cc1 ZINC000043053911 856198415 /nfs/dbraw/zinc/19/84/15/856198415.db2.gz YFQXPBZGQXGCCN-UHFFFAOYSA-N -1 3 394.499 3.600 20 0 GHADHM CC(=O)c1sc(NC(=O)c2cc3c(cc2[O-])OCO3)nc1-c1ccccc1 ZINC000436752101 856216761 /nfs/dbraw/zinc/21/67/61/856216761.db2.gz PQKXUIRDRQKYPZ-UHFFFAOYSA-N -1 3 382.397 3.699 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCCC(=O)c3ccc(F)cc3)nc21 ZINC000427631703 856217815 /nfs/dbraw/zinc/21/78/15/856217815.db2.gz SAUHGGLKQIEQHW-UHFFFAOYSA-N -1 3 397.406 3.870 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000172268164 856285162 /nfs/dbraw/zinc/28/51/62/856285162.db2.gz ZSGVLNWKODEICC-MRXNPFEDSA-N -1 3 390.487 3.567 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000591818252 856325015 /nfs/dbraw/zinc/32/50/15/856325015.db2.gz GUYLADYAQVGNGX-OAHLLOKOSA-N -1 3 395.406 3.924 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)N2CCCC2)cc1 ZINC000591818249 856325687 /nfs/dbraw/zinc/32/56/87/856325687.db2.gz GPPUPZOXBBQUIO-SFHVURJKSA-N -1 3 398.450 3.528 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000509205944 862789995 /nfs/dbraw/zinc/78/99/95/862789995.db2.gz QLFUFKGRTGQNMU-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM COc1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([O-])c1 ZINC000042760283 856433970 /nfs/dbraw/zinc/43/39/70/856433970.db2.gz VWCCZWQVQPVPEN-UHFFFAOYSA-N -1 3 383.423 3.635 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000573728609 856457887 /nfs/dbraw/zinc/45/78/87/856457887.db2.gz CPAXTXOTUDFGTN-INIZCTEOSA-N -1 3 391.471 3.652 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000021633242 856473938 /nfs/dbraw/zinc/47/39/38/856473938.db2.gz PRWNBHJMCOCBNU-CQSZACIVSA-N -1 3 388.489 3.795 20 0 GHADHM COc1cc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(C)C ZINC000905750819 856505804 /nfs/dbraw/zinc/50/58/04/856505804.db2.gz ROIWCOSVFHMHAK-AWEZNQCLSA-N -1 3 376.478 3.627 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(c3nc4c(s3)CCC4)CC2)cc1)C(=O)[O-] ZINC000905740141 856533676 /nfs/dbraw/zinc/53/36/76/856533676.db2.gz VSOITGPJHNJXNV-CQSZACIVSA-N -1 3 386.517 3.863 20 0 GHADHM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1cc([O-])c2ccccc2c1 ZINC000472259487 856561252 /nfs/dbraw/zinc/56/12/52/856561252.db2.gz MWINLLRDLZFFRJ-UHFFFAOYSA-N -1 3 390.439 3.707 20 0 GHADHM CCOc1ccc(CCN(C)Cc2cn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000905807205 856608727 /nfs/dbraw/zinc/60/87/27/856608727.db2.gz OHMBDUCKZHVFRP-UHFFFAOYSA-N -1 3 379.460 3.644 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000507921231 856694712 /nfs/dbraw/zinc/69/47/12/856694712.db2.gz POYQQWIFPLUSQZ-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)no1 ZINC000507932913 856708970 /nfs/dbraw/zinc/70/89/70/856708970.db2.gz AJWFBQDCRIDJGQ-UHFFFAOYSA-N -1 3 382.457 3.984 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c(=O)[n-]1 ZINC000111001750 856737933 /nfs/dbraw/zinc/73/79/33/856737933.db2.gz FMAIHYDIIGFKBH-UHFFFAOYSA-N -1 3 392.390 3.515 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1ccco1 ZINC000427801909 856741288 /nfs/dbraw/zinc/74/12/88/856741288.db2.gz JWAUDHHVALXBFJ-IBGZPJMESA-N -1 3 375.421 3.804 20 0 GHADHM CC[C@H](CC(F)F)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000906061615 856783660 /nfs/dbraw/zinc/78/36/60/856783660.db2.gz HKNFJODIIPQWPI-SECBINFHSA-N -1 3 391.827 3.516 20 0 GHADHM CC[C@H](CC(F)F)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000906061615 856783669 /nfs/dbraw/zinc/78/36/69/856783669.db2.gz HKNFJODIIPQWPI-SECBINFHSA-N -1 3 391.827 3.516 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)nn1-c1ccccc1Cl ZINC000181335416 862840160 /nfs/dbraw/zinc/84/01/60/862840160.db2.gz HNBQHYLXYOKDBL-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM COc1cccc(Oc2ccc(CNC(=O)c3ccc(OC)cc3[O-])cn2)c1 ZINC000046305390 856834235 /nfs/dbraw/zinc/83/42/35/856834235.db2.gz UQDQTPKKMBULGS-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000592448734 856873863 /nfs/dbraw/zinc/87/38/63/856873863.db2.gz CXDODGUYHHUYFU-OAHLLOKOSA-N -1 3 389.293 3.549 20 0 GHADHM C[C@H](CSCCNCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000592461892 856880248 /nfs/dbraw/zinc/88/02/48/856880248.db2.gz OAICVNHWULTCLT-SECBINFHSA-N -1 3 398.269 3.594 20 0 GHADHM C[C@@H](CSCCNCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000592462262 856882126 /nfs/dbraw/zinc/88/21/26/856882126.db2.gz QQMWXFCOGYDYIX-VIFPVBQESA-N -1 3 398.269 3.594 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@H](C(C)(C)C)CC3)c(=O)c2c(OC)c1 ZINC000625682918 862847827 /nfs/dbraw/zinc/84/78/27/862847827.db2.gz ZUTMNDMJAMPNTP-AWEZNQCLSA-N -1 3 386.492 3.834 20 0 GHADHM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H](C)N3CCc4ccccc4C3)c12 ZINC000569107088 856904124 /nfs/dbraw/zinc/90/41/24/856904124.db2.gz VLNNDFZUHSTCNM-LBPRGKRZSA-N -1 3 382.489 3.557 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C4CC4)n(CC)n3)c2)n1 ZINC000906236672 856948220 /nfs/dbraw/zinc/94/82/20/856948220.db2.gz CEKOIFPUKGVPPR-UHFFFAOYSA-N -1 3 377.448 3.758 20 0 GHADHM CCCCc1nc(NC(=O)c2ccnc(OC3CCC3)c2)c(C(=O)OCC)[n-]1 ZINC000485708047 856957900 /nfs/dbraw/zinc/95/79/00/856957900.db2.gz HKLCGTYFJFMNIV-UHFFFAOYSA-N -1 3 386.452 3.508 20 0 GHADHM CC(C)[C@@H](C)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000112631320 857170280 /nfs/dbraw/zinc/17/02/80/857170280.db2.gz LDAIGWXHKKMVPN-LLVKDONJSA-N -1 3 377.282 3.940 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000646157741 857205693 /nfs/dbraw/zinc/20/56/93/857205693.db2.gz DOPNNNZILPPTPY-KRWDZBQOSA-N -1 3 395.931 3.619 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000120989064 857303752 /nfs/dbraw/zinc/30/37/52/857303752.db2.gz HSOXSQPPUXLKPC-UHFFFAOYSA-N -1 3 391.613 3.746 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2ncccc21 ZINC000485994556 857325569 /nfs/dbraw/zinc/32/55/69/857325569.db2.gz QVYLZRDDIVSMDZ-INIZCTEOSA-N -1 3 384.354 3.956 20 0 GHADHM CCC(CC)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C(=O)OC(C)(C)C ZINC000593179016 857412582 /nfs/dbraw/zinc/41/25/82/857412582.db2.gz HDVNNIAQJJRFBO-UHFFFAOYSA-N -1 3 397.825 3.607 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000486098035 857425731 /nfs/dbraw/zinc/42/57/31/857425731.db2.gz GQVASMYTALMMKA-ZDUSSCGKSA-N -1 3 393.814 3.973 20 0 GHADHM Cc1ccc(-c2cc(C(=O)[N-]c3nnc4ccc(Br)cn43)on2)cc1 ZINC001129010983 857439741 /nfs/dbraw/zinc/43/97/41/857439741.db2.gz HYGBSTGWQWJFJW-UHFFFAOYSA-N -1 3 398.220 3.708 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C(F)F)CC3)nc(=O)c2c1C ZINC000486123901 857453608 /nfs/dbraw/zinc/45/36/08/857453608.db2.gz FQXWSZSQJUSPAE-SNVBAGLBSA-N -1 3 399.463 3.508 20 0 GHADHM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000675607118 857518378 /nfs/dbraw/zinc/51/83/78/857518378.db2.gz BLCZQDQRMSLWJE-FQEVSTJZSA-N -1 3 392.499 3.504 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282262464 857590817 /nfs/dbraw/zinc/59/08/17/857590817.db2.gz QXVOFKKRYPCXQA-LBPRGKRZSA-N -1 3 395.438 3.530 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442239752 857645136 /nfs/dbraw/zinc/64/51/36/857645136.db2.gz GOMAJKXCSUJLIO-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000064040007 857681659 /nfs/dbraw/zinc/68/16/59/857681659.db2.gz YXLMTXIBCFIMMT-UHFFFAOYSA-N -1 3 396.896 3.516 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1NC(=O)C(C)(C)C ZINC000521168147 857697664 /nfs/dbraw/zinc/69/76/64/857697664.db2.gz JOJGTLAOMNFLOO-UHFFFAOYSA-N -1 3 394.431 3.507 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000676026335 857713458 /nfs/dbraw/zinc/71/34/58/857713458.db2.gz IVEVHUMNUILJNZ-OAHLLOKOSA-N -1 3 379.229 3.950 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)c(C)c1 ZINC000521181288 857718861 /nfs/dbraw/zinc/71/88/61/857718861.db2.gz GOGBRGHLIPLCGL-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)c(C)c1 ZINC000521181288 857718865 /nfs/dbraw/zinc/71/88/65/857718865.db2.gz GOGBRGHLIPLCGL-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=c1[n-]c(SC[C@H]2CCCOC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000676235970 857790888 /nfs/dbraw/zinc/79/08/88/857790888.db2.gz KHVUNZWPTSPHKD-NSHDSACASA-N -1 3 376.869 3.693 20 0 GHADHM COCCC[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1 ZINC000804128075 857807954 /nfs/dbraw/zinc/80/79/54/857807954.db2.gz SQIPDUIOJMQABV-HNNXBMFYSA-N -1 3 399.878 3.929 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(OC(C)C)nc3)nc(=O)c2c1C ZINC000046473781 857898468 /nfs/dbraw/zinc/89/84/68/857898468.db2.gz KCXCOCCDFBLTJR-LLVKDONJSA-N -1 3 387.461 3.702 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCc2sccc2C1 ZINC000521357806 857898929 /nfs/dbraw/zinc/89/89/29/857898929.db2.gz PRRVABYTIKTMCF-UHFFFAOYSA-N -1 3 389.274 3.551 20 0 GHADHM COCC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000908076323 857919946 /nfs/dbraw/zinc/91/99/46/857919946.db2.gz QEUBEXCZQBNYKF-OAHLLOKOSA-N -1 3 396.274 3.874 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486712100 858002171 /nfs/dbraw/zinc/00/21/71/858002171.db2.gz SIKBCXPTMVWQMN-HZPDHXFCSA-N -1 3 391.464 3.617 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1occc1CS(=O)(=O)c1ccccc1 ZINC000067138881 858003104 /nfs/dbraw/zinc/00/31/04/858003104.db2.gz CQHIAMHONIIWLX-UHFFFAOYSA-N -1 3 391.832 3.865 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000055225852 858114726 /nfs/dbraw/zinc/11/47/26/858114726.db2.gz PQJRRLGIRUWTLO-AWEZNQCLSA-N -1 3 379.416 3.512 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000605320020 862987218 /nfs/dbraw/zinc/98/72/18/862987218.db2.gz XSPJSCBHPGHRTM-AWEZNQCLSA-N -1 3 395.349 3.650 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000442790049 858134845 /nfs/dbraw/zinc/13/48/45/858134845.db2.gz FWSLCOVVSXCXMK-HNNXBMFYSA-N -1 3 379.384 3.822 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(F)c(Br)c1 ZINC000594773751 858277604 /nfs/dbraw/zinc/27/76/04/858277604.db2.gz GBNSLILTYIAJLJ-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM CCSc1nnc([N-]C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)s1 ZINC000521751498 858283506 /nfs/dbraw/zinc/28/35/06/858283506.db2.gz XMTMHVOEPSZTGY-UHFFFAOYSA-N -1 3 398.876 3.584 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)s2)s1 ZINC000442986893 858293593 /nfs/dbraw/zinc/29/35/93/858293593.db2.gz BKBGREDGOGLAJT-SSDOTTSWSA-N -1 3 381.342 3.569 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000443130114 858396901 /nfs/dbraw/zinc/39/69/01/858396901.db2.gz MRSXETJOMMJLME-NWDGAFQWSA-N -1 3 399.559 3.640 20 0 GHADHM O=c1[n-]c(SCCCCCn2cccn2)nc2c1cnn2Cc1ccccc1 ZINC000657284311 858420287 /nfs/dbraw/zinc/42/02/87/858420287.db2.gz NWLVTYHSBDNPQR-UHFFFAOYSA-N -1 3 394.504 3.739 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)c(Cl)c3)ccc2O1 ZINC000595127218 858423699 /nfs/dbraw/zinc/42/36/99/858423699.db2.gz HMLVXULPIHWPAM-LBPRGKRZSA-N -1 3 389.864 3.650 20 0 GHADHM Cc1ccc(OCc2ccccc2)c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000443188434 858451418 /nfs/dbraw/zinc/45/14/18/858451418.db2.gz GHASBBQUTXBMFE-UHFFFAOYSA-N -1 3 377.444 3.868 20 0 GHADHM O=C([N-]OCc1ccccc1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000046764934 858481417 /nfs/dbraw/zinc/48/14/17/858481417.db2.gz NJCMMKDDJKNRQU-OAHLLOKOSA-N -1 3 379.382 3.565 20 0 GHADHM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000522023443 858535686 /nfs/dbraw/zinc/53/56/86/858535686.db2.gz XUJQNYDMEZJLOM-UHFFFAOYSA-N -1 3 388.411 3.581 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000443352697 858593297 /nfs/dbraw/zinc/59/32/97/858593297.db2.gz RHAIAAISWMRPQG-HNNXBMFYSA-N -1 3 381.906 3.875 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N[N-]C(=O)c1ccccc1Br ZINC000046895482 858615795 /nfs/dbraw/zinc/61/57/95/858615795.db2.gz ITURRCOJRXVKJV-GFCCVEGCSA-N -1 3 393.306 3.532 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000595708603 858653903 /nfs/dbraw/zinc/65/39/03/858653903.db2.gz UXFPISVZYFNIQE-CYBMUJFWSA-N -1 3 391.254 3.628 20 0 GHADHM CCC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCCC1 ZINC000522135472 858654726 /nfs/dbraw/zinc/65/47/26/858654726.db2.gz COXNQPSJASDYPQ-FQEVSTJZSA-N -1 3 396.535 3.938 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1ccc(Br)cn1 ZINC000605438448 863051819 /nfs/dbraw/zinc/05/18/19/863051819.db2.gz VTKDNKJASOBWEA-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(Cc1ccc(NC(=O)C2CC2)cc1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000608359525 858773798 /nfs/dbraw/zinc/77/37/98/858773798.db2.gz JLQLHJPMSMZBAD-UHFFFAOYSA-N -1 3 394.862 3.682 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1cccc(Cl)c1 ZINC000068071567 858872453 /nfs/dbraw/zinc/87/24/53/858872453.db2.gz GPFPNPYDPMZNTD-UHFFFAOYSA-N -1 3 376.873 3.630 20 0 GHADHM CC(C)OC[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000761170868 858874228 /nfs/dbraw/zinc/87/42/28/858874228.db2.gz ZJYSJTVPPINZBS-SFHVURJKSA-N -1 3 395.452 3.520 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ncc(Br)cc1Br ZINC000184162439 858885456 /nfs/dbraw/zinc/88/54/56/858885456.db2.gz GGYDZLZAITYHNL-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000522254485 858902404 /nfs/dbraw/zinc/90/24/04/858902404.db2.gz MJLLGDBRKFDZMN-OAHLLOKOSA-N -1 3 389.377 3.614 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)cc(Br)c1O ZINC000315927850 858913402 /nfs/dbraw/zinc/91/34/02/858913402.db2.gz VAPLRUWHZVRQMI-NSHDSACASA-N -1 3 386.267 3.530 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Oc1cccc(C(C)C)c1)c1ccccc1 ZINC000522261887 858918049 /nfs/dbraw/zinc/91/80/49/858918049.db2.gz KYWUFNSNWLSVLE-NHCUHLMSSA-N -1 3 393.487 3.558 20 0 GHADHM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000923097247 859019934 /nfs/dbraw/zinc/01/99/34/859019934.db2.gz YDOHBABHAXPWAW-AWEZNQCLSA-N -1 3 376.453 3.745 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(Cl)c(C[S@@](C)=O)c3)c[n-]c12 ZINC000483047404 859097452 /nfs/dbraw/zinc/09/74/52/859097452.db2.gz KVBJRFFYHOCERT-AREMUKBSSA-N -1 3 388.876 3.621 20 0 GHADHM O=C([O-])CCC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000923214337 859131448 /nfs/dbraw/zinc/13/14/48/859131448.db2.gz MTCKUQXCYRRMQO-GOSISDBHSA-N -1 3 390.499 3.722 20 0 GHADHM O=C([O-])CCC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000923214338 859131556 /nfs/dbraw/zinc/13/15/56/859131556.db2.gz MTCKUQXCYRRMQO-SFHVURJKSA-N -1 3 390.499 3.722 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c(=O)[n-]1 ZINC000543303854 859207817 /nfs/dbraw/zinc/20/78/17/859207817.db2.gz RKQWTCODNWKFKC-UHFFFAOYSA-N -1 3 384.358 3.618 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000068822210 859216534 /nfs/dbraw/zinc/21/65/34/859216534.db2.gz IIXDBQVWMRVJSN-OAHLLOKOSA-N -1 3 390.480 3.889 20 0 GHADHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000522376343 859254562 /nfs/dbraw/zinc/25/45/62/859254562.db2.gz QVQKFUJTXMMWCS-UHFFFAOYSA-N -1 3 393.848 3.644 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(C(=S)Nc2ccc3ccccc3c2)CC1 ZINC000060434998 859258185 /nfs/dbraw/zinc/25/81/85/859258185.db2.gz TXMLBCNVKHAZAI-UHFFFAOYSA-N -1 3 391.496 3.700 20 0 GHADHM CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000923471576 859341180 /nfs/dbraw/zinc/34/11/80/859341180.db2.gz XCUZLOWJLMOPCC-OAQYLSRUSA-N -1 3 386.448 3.595 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000923471531 859341544 /nfs/dbraw/zinc/34/15/44/859341544.db2.gz QTYYSTYDUPJEHA-GCJKJVERSA-N -1 3 392.515 3.996 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000923468819 859346575 /nfs/dbraw/zinc/34/65/75/859346575.db2.gz FIWKLRBTMFEKQL-NZQKXSOJSA-N -1 3 396.487 3.952 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000509433816 859435777 /nfs/dbraw/zinc/43/57/77/859435777.db2.gz RCFHGPSPHNXBFD-CJNGLKHVSA-N -1 3 381.398 3.909 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000483571576 859467198 /nfs/dbraw/zinc/46/71/98/859467198.db2.gz HQOUMFZVFHYQMU-UHFFFAOYSA-N -1 3 387.793 3.746 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000483588949 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O=C([O-])C1CCN(c2ccc(CN[C@@H](CN3CCCC3)c3ccccc3)o2)CC1 ZINC000904206065 860234359 /nfs/dbraw/zinc/23/43/59/860234359.db2.gz YKISHKDGEMMGAU-NRFANRHFSA-N -1 3 397.519 3.507 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904216767 860236740 /nfs/dbraw/zinc/23/67/40/860236740.db2.gz BXANGGPDVDQREQ-FXAWDEMLSA-N -1 3 397.519 3.506 20 0 GHADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000494306476 881518218 /nfs/dbraw/zinc/51/82/18/881518218.db2.gz CMCPMLWYUCOLGZ-SSDOTTSWSA-N -1 3 380.251 3.910 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCC[C@]4(C3)OCc3ccccc34)o2)CC1 ZINC000904233118 860269621 /nfs/dbraw/zinc/26/96/21/860269621.db2.gz OKHIMCGHYQMWHY-HSZRJFAPSA-N -1 3 396.487 3.602 20 0 GHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000904234910 860272328 /nfs/dbraw/zinc/27/23/28/860272328.db2.gz CVPPPINCKQKPDN-BFHYXJOUSA-N -1 3 392.805 3.561 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 ZINC000727835701 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CCSc1cccc(F)c1[N-]C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000484939686 860508564 /nfs/dbraw/zinc/50/85/64/860508564.db2.gz QRLCRTFPBXQAEM-UHFFFAOYSA-N -1 3 394.493 3.631 20 0 GHADHM COc1ccc(-c2ccc(C)c(NC(=O)c3cc4c(cc3[O-])OCO4)c2)cn1 ZINC000436675869 860561467 /nfs/dbraw/zinc/56/14/67/860561467.db2.gz MJIDJPUXSHISAR-UHFFFAOYSA-N -1 3 378.384 3.752 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1ccc(Cl)cc1F ZINC000014210499 860764775 /nfs/dbraw/zinc/76/47/75/860764775.db2.gz BNTAGTHFTUVJJF-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCC(C)(C)c3ccccc3C)c(=O)c2c(OC)c1 ZINC000625043897 860765961 /nfs/dbraw/zinc/76/59/61/860765961.db2.gz MNJDNCATEYDJPJ-UHFFFAOYSA-N -1 3 394.471 3.561 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC000509075017 860804935 /nfs/dbraw/zinc/80/49/35/860804935.db2.gz ODRPIUYRYBFBFR-UHFFFAOYSA-N -1 3 375.837 3.647 20 0 GHADHM Cc1c2ccccc2sc1C(=O)N1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192601114 860884085 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GHADHM Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365977 861075150 /nfs/dbraw/zinc/07/51/50/861075150.db2.gz XOJVDHHJPJXRQK-UHFFFAOYSA-N -1 3 388.217 3.984 20 0 GHADHM C[C@H]1CCc2c(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)csc2C1 ZINC000623495385 861119078 /nfs/dbraw/zinc/11/90/78/861119078.db2.gz UMWREHKHFVDVHC-AWEZNQCLSA-N -1 3 398.528 3.613 20 0 GHADHM Cc1cc2[nH]c(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c(C)c1 ZINC000623495361 861119093 /nfs/dbraw/zinc/11/90/93/861119093.db2.gz NSNHCTXCOHDCBH-UHFFFAOYSA-N -1 3 391.471 3.525 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000625211198 861155514 /nfs/dbraw/zinc/15/55/14/861155514.db2.gz MNLACGZIKHKIHJ-INIZCTEOSA-N -1 3 394.471 3.687 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1F ZINC000730534959 861156090 /nfs/dbraw/zinc/15/60/90/861156090.db2.gz FCHQFLAYNCFKRS-UHFFFAOYSA-N -1 3 389.309 3.562 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1F ZINC000730534959 861156091 /nfs/dbraw/zinc/15/60/91/861156091.db2.gz FCHQFLAYNCFKRS-UHFFFAOYSA-N -1 3 389.309 3.562 20 0 GHADHM O=S(=O)([N-]CCCOCc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000730572810 861178647 /nfs/dbraw/zinc/17/86/47/861178647.db2.gz PWNQRELLZWPPEQ-UHFFFAOYSA-N -1 3 388.514 3.695 20 0 GHADHM O=C(NCCCNc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000182010373 863085213 /nfs/dbraw/zinc/08/52/13/863085213.db2.gz PFJFSNAAPPYMTI-UHFFFAOYSA-N -1 3 396.260 3.595 20 0 GHADHM O=C(Nc1ccc2c3c(cccc31)CC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182195722 863147989 /nfs/dbraw/zinc/14/79/89/863147989.db2.gz YFPQHUOKRAIXHX-HXUWFJFHSA-N -1 3 386.451 3.887 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000444049487 863206749 /nfs/dbraw/zinc/20/67/49/863206749.db2.gz FSMDCANVALYNPV-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2[nH]1 ZINC000182502259 863252719 /nfs/dbraw/zinc/25/27/19/863252719.db2.gz VALKGAKNISFEJT-UHFFFAOYSA-N -1 3 382.485 3.770 20 0 GHADHM COc1ccc(N[C@@H]2CCC[C@@H](c3ncccc3C)C2)cc1[N-]S(C)(=O)=O ZINC000281707137 863333602 /nfs/dbraw/zinc/33/36/02/863333602.db2.gz TWGFRHAJMLOISD-HZPDHXFCSA-N -1 3 389.521 3.908 20 0 GHADHM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc2n[n-]nc21 ZINC000182753469 863345691 /nfs/dbraw/zinc/34/56/91/863345691.db2.gz KOJNITISWJIDSV-UHFFFAOYSA-N -1 3 378.436 3.618 20 0 GHADHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000532273714 881651151 /nfs/dbraw/zinc/65/11/51/881651151.db2.gz OCIMGIFBGYSXGB-GFCCVEGCSA-N -1 3 390.277 3.727 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482593881 863358230 /nfs/dbraw/zinc/35/82/30/863358230.db2.gz SILKBGARUSQBHK-CZUORRHYSA-N -1 3 399.329 3.795 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281877822 863446140 /nfs/dbraw/zinc/44/61/40/863446140.db2.gz ZZZDYWGQWAZVRD-AWEZNQCLSA-N -1 3 384.442 3.660 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000007002867 863633908 /nfs/dbraw/zinc/63/39/08/863633908.db2.gz BGFSTIMBCPVMES-GVXVVHGQSA-N -1 3 377.510 3.509 20 0 GHADHM Cc1cccc(-n2ccnc2SCC(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000606537189 863693765 /nfs/dbraw/zinc/69/37/65/863693765.db2.gz XDJZGIYSWGIBCE-UHFFFAOYSA-N -1 3 385.464 3.742 20 0 GHADHM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606717905 863798985 /nfs/dbraw/zinc/79/89/85/863798985.db2.gz CYADZTLQVAQQNL-HNNXBMFYSA-N -1 3 383.467 3.657 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H]1Cc1ccccc1 ZINC000444281851 863801700 /nfs/dbraw/zinc/80/17/00/863801700.db2.gz MURUWIDFQWPFKN-OAHLLOKOSA-N -1 3 397.272 3.748 20 0 GHADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000103152646 863895090 /nfs/dbraw/zinc/89/50/90/863895090.db2.gz SXQWWKGLKFNIOS-UHFFFAOYSA-N -1 3 381.860 3.506 20 0 GHADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000606904873 863927825 /nfs/dbraw/zinc/92/78/25/863927825.db2.gz WJBKVKKWXRMOOF-LLVKDONJSA-N -1 3 384.851 3.512 20 0 GHADHM CCOc1cc(CN2CCn3c(cnc3C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000896931307 863978522 /nfs/dbraw/zinc/97/85/22/863978522.db2.gz IHNAOBLUEJIKRJ-UHFFFAOYSA-N -1 3 375.778 3.675 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1Cl ZINC000480168034 864158224 /nfs/dbraw/zinc/15/82/24/864158224.db2.gz ZJQDJGUUWLIVPB-UHFFFAOYSA-N -1 3 394.667 3.801 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000444321678 864195629 /nfs/dbraw/zinc/19/56/29/864195629.db2.gz SVBWTUIMQSWFEE-HIFRSBDPSA-N -1 3 376.453 3.545 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCC2CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000480226845 864300004 /nfs/dbraw/zinc/30/00/04/864300004.db2.gz HGXNBIPBXNQLPH-UHFFFAOYSA-N -1 3 387.427 3.995 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000184266004 864300604 /nfs/dbraw/zinc/30/06/04/864300604.db2.gz RMJCRQFLGCXLKE-INIZCTEOSA-N -1 3 390.842 3.579 20 0 GHADHM O=S(=O)([N-][C@H](Cn1cccn1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000607362654 864345736 /nfs/dbraw/zinc/34/57/36/864345736.db2.gz CUCUPSIJSNLOPD-MRXNPFEDSA-N -1 3 396.299 3.910 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000898648389 864375965 /nfs/dbraw/zinc/37/59/65/864375965.db2.gz DFBNYKFIHKVJKY-QGZVFWFLSA-N -1 3 379.435 3.813 20 0 GHADHM C[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)Cc1cccs1 ZINC000640294820 881761079 /nfs/dbraw/zinc/76/10/79/881761079.db2.gz KJDLLUMIZRYAEZ-SECBINFHSA-N -1 3 380.823 3.583 20 0 GHADHM CCCc1c(C(=O)[N-]c2nnc(C)s2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC000607443622 864434630 /nfs/dbraw/zinc/43/46/30/864434630.db2.gz NXBYTDXJKHRBCS-UHFFFAOYSA-N -1 3 384.509 3.930 20 0 GHADHM Cc1nc2sc3c(c2c(NCc2nc(C(F)(F)F)n[n-]2)n1)CC[C@@H](C)C3 ZINC000480332457 864486118 /nfs/dbraw/zinc/48/61/18/864486118.db2.gz VYLRGLUJGCDGKS-SSDOTTSWSA-N -1 3 382.415 3.874 20 0 GHADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(NC(=O)c2ccccc2)c1 ZINC000163526464 864530356 /nfs/dbraw/zinc/53/03/56/864530356.db2.gz KNKOLNBYGSARNU-CQSZACIVSA-N -1 3 385.427 3.701 20 0 GHADHM COc1cc(C(=O)NC2(c3cccc(Br)c3)CC2)cc(OC)c1[O-] ZINC000163576602 864538197 /nfs/dbraw/zinc/53/81/97/864538197.db2.gz AAOPUMGYTZXRPL-UHFFFAOYSA-N -1 3 392.249 3.591 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccccc1N1CCCC1=O)CC2 ZINC000184464179 864545934 /nfs/dbraw/zinc/54/59/34/864545934.db2.gz NVSVWEIVANKJPZ-UHFFFAOYSA-N -1 3 398.484 3.551 20 0 GHADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc2)nn1 ZINC000607616189 864560705 /nfs/dbraw/zinc/56/07/05/864560705.db2.gz FJRMOEMBCRPADI-AWEZNQCLSA-N -1 3 397.456 3.702 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnn(Cc3ccccc3)c1)CC2 ZINC000184476926 864575143 /nfs/dbraw/zinc/57/51/43/864575143.db2.gz MKEGVTXCQQKIRD-UHFFFAOYSA-N -1 3 395.484 3.669 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000607632318 864604194 /nfs/dbraw/zinc/60/41/94/864604194.db2.gz YSSDZOVOHHJFCF-UHFFFAOYSA-N -1 3 391.254 3.928 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1cccs1 ZINC000735081006 864609780 /nfs/dbraw/zinc/60/97/80/864609780.db2.gz CSWKOSJVUNVGQS-UHFFFAOYSA-N -1 3 395.731 3.773 20 0 GHADHM CC(=O)N1CC[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000621933849 864617371 /nfs/dbraw/zinc/61/73/71/864617371.db2.gz XIWGUDSADDUOEZ-MRXNPFEDSA-N -1 3 378.350 3.639 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C2CC2)n1 ZINC000173467370 864790299 /nfs/dbraw/zinc/79/02/99/864790299.db2.gz UFRZMDQIQSUQCN-LLVKDONJSA-N -1 3 378.306 3.583 20 0 GHADHM COCCCOc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000607888553 864844504 /nfs/dbraw/zinc/84/45/04/864844504.db2.gz IDOCIKVBTSTUIM-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM Cc1cccc(CO[N-]C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC000898935279 864924913 /nfs/dbraw/zinc/92/49/13/864924913.db2.gz WNPNIYZMGWXNJE-ZNXRZULTSA-N -1 3 389.496 3.506 20 0 GHADHM O=C(NN=c1cccn[n-]1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000184777394 864934494 /nfs/dbraw/zinc/93/44/94/864934494.db2.gz OCSCCPNCIABORF-QGZVFWFLSA-N -1 3 399.248 3.503 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)cs1 ZINC000173663938 864981471 /nfs/dbraw/zinc/98/14/71/864981471.db2.gz KNBKVFRZVZQRKN-ZDUSSCGKSA-N -1 3 388.489 3.993 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1CC(F)F ZINC000622473605 865017182 /nfs/dbraw/zinc/01/71/82/865017182.db2.gz RRZSUGXFEVKFKM-GOSISDBHSA-N -1 3 388.458 3.785 20 0 GHADHM O=C(Nc1ccc(F)cc1N1CCOCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622697600 865135002 /nfs/dbraw/zinc/13/50/02/865135002.db2.gz JWJUNAGZFSMRAG-UHFFFAOYSA-N -1 3 384.329 3.639 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@H](C)C1 ZINC000736241432 865158879 /nfs/dbraw/zinc/15/88/79/865158879.db2.gz NILGTAIKOSMCJY-LBTNJELSSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@H](C)C1 ZINC000736241432 865158890 /nfs/dbraw/zinc/15/88/90/865158890.db2.gz NILGTAIKOSMCJY-LBTNJELSSA-N -1 3 392.463 3.609 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000736543249 865236540 /nfs/dbraw/zinc/23/65/40/865236540.db2.gz CCTVCBDOWGOJHN-ZDUSSCGKSA-N -1 3 380.897 3.674 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCN(c4ccccc4)C3)nc2)n1 ZINC000301276709 865259643 /nfs/dbraw/zinc/25/96/43/865259643.db2.gz JAFODQZIKRJJOS-GOSISDBHSA-N -1 3 375.476 3.888 20 0 GHADHM O=C(CCCCCC(=O)Nc1c(O)cccc1F)Nc1c([O-])cccc1F ZINC000608366288 865263203 /nfs/dbraw/zinc/26/32/03/865263203.db2.gz IARPHETVSDZJSL-UHFFFAOYSA-N -1 3 378.375 3.904 20 0 GHADHM CC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000174044775 865365558 /nfs/dbraw/zinc/36/55/58/865365558.db2.gz QPLBXPQYPSNLIW-YTRUQHMWSA-N -1 3 381.379 3.514 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(Oc2ccccc2)c1 ZINC000480842037 865367798 /nfs/dbraw/zinc/36/77/98/865367798.db2.gz SEEIICYOEKIYBQ-UHFFFAOYSA-N -1 3 377.326 3.938 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032178520 881872636 /nfs/dbraw/zinc/87/26/36/881872636.db2.gz AXZNUZNFRUNTEI-UHFFFAOYSA-N -1 3 389.415 3.822 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)nc2)n1 ZINC000301671947 865487968 /nfs/dbraw/zinc/48/79/68/865487968.db2.gz ZESYRMXOYSWFDK-GUYCJALGSA-N -1 3 382.489 3.835 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=S)Nc2ccc(C(C)C)cc2)o1 ZINC000063875353 865543834 /nfs/dbraw/zinc/54/38/34/865543834.db2.gz JLULYPIBHPYXBF-UHFFFAOYSA-N -1 3 388.537 3.876 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC000738363368 865546753 /nfs/dbraw/zinc/54/67/53/865546753.db2.gz CKAAARIIJUJFDR-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(OCC(F)(F)F)c1 ZINC000920176477 881884838 /nfs/dbraw/zinc/88/48/38/881884838.db2.gz CYZQCJIZFYDSIG-ZROIWOOFSA-N -1 3 376.334 3.659 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1[O-] ZINC000667799920 865672882 /nfs/dbraw/zinc/67/28/82/865672882.db2.gz KLKVYHCWMWXCGD-UHFFFAOYSA-N -1 3 386.835 3.737 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)C1(C(F)(F)F)CCCCC1 ZINC000622887736 865679175 /nfs/dbraw/zinc/67/91/75/865679175.db2.gz GOUQDQMOZFOLGN-UHFFFAOYSA-N -1 3 377.716 3.972 20 0 GHADHM CSc1cc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)o1 ZINC000622887358 865680301 /nfs/dbraw/zinc/68/03/01/865680301.db2.gz STVGFQQPWNDJFI-UHFFFAOYSA-N -1 3 398.204 3.505 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1csc(-c2ccc(Cl)cc2)n1 ZINC000481057169 865754249 /nfs/dbraw/zinc/75/42/49/865754249.db2.gz JWUIEAADXIMWRZ-CYBMUJFWSA-N -1 3 394.909 3.543 20 0 GHADHM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623018665 865921787 /nfs/dbraw/zinc/92/17/87/865921787.db2.gz REIHYCYBKBVDSL-UHFFFAOYSA-N -1 3 383.341 3.986 20 0 GHADHM O=C(C=Cc1ccc(-c2ccccc2Cl)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179065506 866093180 /nfs/dbraw/zinc/09/31/80/866093180.db2.gz WPLPZFQDAVBQDD-SOFGYWHQSA-N -1 3 397.887 3.750 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)c([O-])c1 ZINC000534095108 866123994 /nfs/dbraw/zinc/12/39/94/866123994.db2.gz MBBHNQAGUHFZAK-GFCCVEGCSA-N -1 3 375.446 3.697 20 0 GHADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000262723649 866235854 /nfs/dbraw/zinc/23/58/54/866235854.db2.gz XJOKFVGCEUXIET-MRXNPFEDSA-N -1 3 392.249 3.526 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cnc(-c4cccnc4)s3)[nH][n-]2)c1 ZINC000534213848 866308724 /nfs/dbraw/zinc/30/87/24/866308724.db2.gz YLBLRZXXRXEEMH-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM CC(C)[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000620043075 866312512 /nfs/dbraw/zinc/31/25/12/866312512.db2.gz WBJGPSFORZPUJX-RBBKRZOGSA-N -1 3 380.488 3.804 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1OC ZINC000793133571 881963751 /nfs/dbraw/zinc/96/37/51/881963751.db2.gz OCHVVYBWISQSSI-HNNXBMFYSA-N -1 3 386.489 3.704 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000153352533 866379734 /nfs/dbraw/zinc/37/97/34/866379734.db2.gz LQWHSOOSZOPZKG-GFCCVEGCSA-N -1 3 382.482 3.564 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)cc1C ZINC000614793241 866407711 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CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1 ZINC000153978081 867188444 /nfs/dbraw/zinc/18/84/44/867188444.db2.gz RAEJZXLDXADZQI-UHFFFAOYSA-N -1 3 390.574 3.907 20 0 GHADHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000742307197 867191338 /nfs/dbraw/zinc/19/13/38/867191338.db2.gz PYHGUEWVVFLTNJ-NSHDSACASA-N -1 3 389.304 3.869 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c(F)c1 ZINC000479139293 867208221 /nfs/dbraw/zinc/20/82/21/867208221.db2.gz ZQAZOPKXRBCMAG-UHFFFAOYSA-N -1 3 378.469 3.621 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(=O)[nH]c4ccc(F)cc43)[nH][n-]2)c1 ZINC000523409112 867231190 /nfs/dbraw/zinc/23/11/90/867231190.db2.gz GICXUQHBXKSUSN-UHFFFAOYSA-N -1 3 376.391 3.761 20 0 GHADHM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000121402875 882060725 /nfs/dbraw/zinc/06/07/25/882060725.db2.gz CBUFOUJPMQACSN-HNNXBMFYSA-N -1 3 391.386 3.637 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(F)c1)O[C@H](C)C2 ZINC000523424265 867295083 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3.775 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000154894372 867650685 /nfs/dbraw/zinc/65/06/85/867650685.db2.gz YKNUXKSLGJFNBS-WCQYABFASA-N -1 3 377.282 3.989 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-n4cccc4)ccn3)c2)n1 ZINC000553615115 867759646 /nfs/dbraw/zinc/75/96/46/867759646.db2.gz LKPFLKARAUKUMB-UHFFFAOYSA-N -1 3 385.427 3.850 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(C)cc1F ZINC000793413431 882154545 /nfs/dbraw/zinc/15/45/45/882154545.db2.gz ZFSCGXOVFCTLOK-UHFFFAOYSA-N -1 3 398.431 3.681 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000156402448 868355147 /nfs/dbraw/zinc/35/51/47/868355147.db2.gz KINWJRRHWSLEAP-HNNXBMFYSA-N -1 3 391.471 3.989 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000479703568 868382632 /nfs/dbraw/zinc/38/26/32/868382632.db2.gz WECRHKMRBLJZKE-UHFFFAOYSA-N -1 3 377.326 3.938 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c(C)cc1F ZINC000793443627 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COc1ccc2c(ccn2CC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000744219245 868675435 /nfs/dbraw/zinc/67/54/35/868675435.db2.gz PJIVLBAMBKQJIH-UHFFFAOYSA-N -1 3 389.411 3.727 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@@H]3CNC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000744287559 868717493 /nfs/dbraw/zinc/71/74/93/868717493.db2.gz ZGYRPDGMJCFKCR-CZUORRHYSA-N -1 3 389.452 3.828 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCC[C@@H]3CNC(=O)OC(C)(C)C)[n-]n2)o1 ZINC000744287559 868717502 /nfs/dbraw/zinc/71/75/02/868717502.db2.gz ZGYRPDGMJCFKCR-CZUORRHYSA-N -1 3 389.452 3.828 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431969 882224028 /nfs/dbraw/zinc/22/40/28/882224028.db2.gz LSYSONGBACCQGI-UHFFFAOYSA-N -1 3 377.798 3.639 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1C1CC1 ZINC000648432121 882227382 /nfs/dbraw/zinc/22/73/82/882227382.db2.gz QLDVBTPHYAMYRT-SECBINFHSA-N -1 3 389.809 3.818 20 0 GHADHM Cc1ccc(N2CCC[C@@H](N3CCC(C(=O)c4ccc([O-])cc4)CC3)C2=O)cc1 ZINC000744384998 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GHADHM Cc1[nH]nc2ncc(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc12 ZINC000744785267 869076027 /nfs/dbraw/zinc/07/60/27/869076027.db2.gz IPBHBNMKHLGRHK-VIFPVBQESA-N -1 3 383.433 3.511 20 0 GHADHM O=C([N-]Cc1ccc2c(c1)C(=O)NCC2)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857485607 882293048 /nfs/dbraw/zinc/29/30/48/882293048.db2.gz XCFHLSINEIDVRE-UHFFFAOYSA-N -1 3 399.224 3.688 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(C)(C)C)CCCCC2)no1 ZINC000462429387 869401142 /nfs/dbraw/zinc/40/11/42/869401142.db2.gz PNLFQVSMZOCKIG-UHFFFAOYSA-N -1 3 377.510 3.813 20 0 GHADHM O=C([N-]C1(CO)Cc2ccccc2C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000857492835 882296375 /nfs/dbraw/zinc/29/63/75/882296375.db2.gz UDKLHUNRBGKRHZ-UHFFFAOYSA-N -1 3 386.225 3.731 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000462427349 869422783 /nfs/dbraw/zinc/42/27/83/869422783.db2.gz JHOPMQQOIQQOSM-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM C[C@@H]1CN(c2ccnc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c2)C[C@@H](C)O1 ZINC000446227940 869574436 /nfs/dbraw/zinc/57/44/36/869574436.db2.gz PSLABZAETYNNPA-VXGBXAGGSA-N -1 3 395.381 3.672 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cc(F)c(F)c(F)c1 ZINC000462508574 869578104 /nfs/dbraw/zinc/57/81/04/869578104.db2.gz CQFRUUJZXUTVRF-CYBMUJFWSA-N -1 3 377.771 3.559 20 0 GHADHM O=S(=O)([N-]Cc1nc2cc(Cl)ccc2s1)c1cc(F)c(F)c(F)c1 ZINC000462556829 869670159 /nfs/dbraw/zinc/67/01/59/869670159.db2.gz YZSOHOUNSQYTPD-UHFFFAOYSA-N -1 3 392.811 3.846 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)cc1[O-] ZINC000745654631 869703700 /nfs/dbraw/zinc/70/37/00/869703700.db2.gz YQOQLQYPPOWCLW-UHFFFAOYSA-N -1 3 382.372 3.891 20 0 GHADHM O=c1cc(N2CC[C@H](Nc3nc(Cl)c(C(F)(F)F)cc3Cl)C2)nc[n-]1 ZINC000897347467 869722468 /nfs/dbraw/zinc/72/24/68/869722468.db2.gz NFMROKICLKOOGF-ZETCQYMHSA-N -1 3 394.184 3.594 20 0 GHADHM O=C(NCC=Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000539787566 869770847 /nfs/dbraw/zinc/77/08/47/869770847.db2.gz SVUNBSBIQKUMDX-DAXSKMNVSA-N -1 3 383.245 3.734 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccccc2Br)CC1 ZINC000524996209 869864841 /nfs/dbraw/zinc/86/48/41/869864841.db2.gz JRIWJSMRJSQFHK-UHFFFAOYSA-N -1 3 393.256 3.825 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)s1 ZINC000525174359 870145393 /nfs/dbraw/zinc/14/53/93/870145393.db2.gz QVPJVHVEMHERRA-JTQLQIEISA-N -1 3 392.344 3.636 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c([O-])c1 ZINC000540029699 870244850 /nfs/dbraw/zinc/24/48/50/870244850.db2.gz XNKZIOJQAUJKRO-UHFFFAOYSA-N -1 3 384.432 3.613 20 0 GHADHM O=S(=O)([N-][C@@H]1C=CCC1)c1csc(-c2cccc(Br)c2)n1 ZINC001192264709 870248745 /nfs/dbraw/zinc/24/87/45/870248745.db2.gz JETZRVBNIMKAEY-GFCCVEGCSA-N -1 3 385.308 3.570 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000525261174 870263098 /nfs/dbraw/zinc/26/30/98/870263098.db2.gz TUNKITQQQZFHMF-CYBMUJFWSA-N -1 3 381.215 3.521 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(Br)c1F ZINC001192355504 870314082 /nfs/dbraw/zinc/31/40/82/870314082.db2.gz IRDDUXAADAAKAL-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000191595699 870382699 /nfs/dbraw/zinc/38/26/99/870382699.db2.gz MPGKTRDJPRQMLE-UHFFFAOYSA-N -1 3 382.729 3.897 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1SC(F)(F)F ZINC000775533909 870430987 /nfs/dbraw/zinc/43/09/87/870430987.db2.gz RTLJXJKFGJZNLS-UHFFFAOYSA-N -1 3 385.293 3.757 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[O-] ZINC000540132785 870573760 /nfs/dbraw/zinc/57/37/60/870573760.db2.gz IGZVWQHXDQLWIN-AWEZNQCLSA-N -1 3 380.366 3.662 20 0 GHADHM O=S(=O)([N-]CCCc1cccs1)c1cc(Br)ccc1F ZINC000538757837 870581785 /nfs/dbraw/zinc/58/17/85/870581785.db2.gz IHKOXYOIYKBWDJ-UHFFFAOYSA-N -1 3 378.288 3.561 20 0 GHADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000746400779 870611802 /nfs/dbraw/zinc/61/18/02/870611802.db2.gz FNYQCDZKXDGADO-UHFFFAOYSA-N -1 3 392.868 3.720 20 0 GHADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000746400779 870611806 /nfs/dbraw/zinc/61/18/06/870611806.db2.gz FNYQCDZKXDGADO-UHFFFAOYSA-N -1 3 392.868 3.720 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461631391 870621235 /nfs/dbraw/zinc/62/12/35/870621235.db2.gz OTEAGBZFFHNQCG-AWEZNQCLSA-N -1 3 396.491 3.600 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3cccc(Oc4ccccc4)c3)cc2n(C)c1=O ZINC000461627040 870653260 /nfs/dbraw/zinc/65/32/60/870653260.db2.gz BMWXBJDARBGCFF-UHFFFAOYSA-N -1 3 389.411 3.627 20 0 GHADHM O=C([C@H](Sc1ccccc1-c1nnn[n-]1)c1ccccc1)N1CCCCC1 ZINC000737782118 870660926 /nfs/dbraw/zinc/66/09/26/870660926.db2.gz LELKTMIJQOYQHK-GOSISDBHSA-N -1 3 379.489 3.713 20 0 GHADHM O=C([C@H](Sc1ccccc1-c1nn[n-]n1)c1ccccc1)N1CCCCC1 ZINC000737782118 870660939 /nfs/dbraw/zinc/66/09/39/870660939.db2.gz LELKTMIJQOYQHK-GOSISDBHSA-N -1 3 379.489 3.713 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(F)(F)F)c1 ZINC001192826029 870701143 /nfs/dbraw/zinc/70/11/43/870701143.db2.gz BWTGBVRGQYVZGX-INIZCTEOSA-N -1 3 391.386 3.979 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(Cl)c2)c(F)c1F ZINC001192838470 870722509 /nfs/dbraw/zinc/72/25/09/870722509.db2.gz NELHZYMMLLXOKX-LBPRGKRZSA-N -1 3 396.242 3.592 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)N[C@@H](C)c2cccc(OC)c2)c1[O-] ZINC001192885651 870745207 /nfs/dbraw/zinc/74/52/07/870745207.db2.gz GRJGOYDWLYCUDA-JTQLQIEISA-N -1 3 378.812 3.724 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)sc1Br ZINC001212335879 870752955 /nfs/dbraw/zinc/75/29/55/870752955.db2.gz IISNBPHECMJHDL-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)c(Cl)c1)c1cnccc1Cl ZINC001192910322 870764995 /nfs/dbraw/zinc/76/49/95/870764995.db2.gz FVRMILKADGFWKX-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCCOc1ccc(-c2nc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)cs2)cc1 ZINC001168938460 871023056 /nfs/dbraw/zinc/02/30/56/871023056.db2.gz HHIXWMFMKKEHHB-UHFFFAOYSA-N -1 3 396.472 3.559 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)n1 ZINC000540341476 871065680 /nfs/dbraw/zinc/06/56/80/871065680.db2.gz QQFBFAUEBTVDAU-NRFANRHFSA-N -1 3 393.487 3.835 20 0 GHADHM CN(Cc1ccccc1)Cc1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000181498884 871108398 /nfs/dbraw/zinc/10/83/98/871108398.db2.gz CBDGSVFLVFWTNC-JOCHJYFZSA-N -1 3 389.499 3.700 20 0 GHADHM C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)cc1 ZINC001193747124 871288764 /nfs/dbraw/zinc/28/87/64/871288764.db2.gz HVPPSTJVNSKWMX-JTQLQIEISA-N -1 3 391.349 3.523 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1F)c1cc(F)cc(Br)c1 ZINC001193763954 871300919 /nfs/dbraw/zinc/30/09/19/871300919.db2.gz FNYZHYLFILRJHZ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)ccc1F ZINC000447275878 871302705 /nfs/dbraw/zinc/30/27/05/871302705.db2.gz WCTRCMZAPSXCQG-UHFFFAOYSA-N -1 3 383.294 3.515 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000542624372 871317769 /nfs/dbraw/zinc/31/77/69/871317769.db2.gz KBJOHBYPXNACMP-IAQYHMDHSA-N -1 3 395.415 3.587 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2sc(C3CCCCC3)nc2C)s1 ZINC000540454821 871339726 /nfs/dbraw/zinc/33/97/26/871339726.db2.gz VCLFXSANIYQOQT-UHFFFAOYSA-N -1 3 394.522 3.709 20 0 GHADHM CSc1c(F)cc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)cc1F ZINC000181673374 871357357 /nfs/dbraw/zinc/35/73/57/871357357.db2.gz WFMHALUZFAQQKT-UHFFFAOYSA-N -1 3 399.412 3.997 20 0 GHADHM Cc1cc(Oc2ccn3ccnc3c2)ccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193938072 871380757 /nfs/dbraw/zinc/38/07/57/871380757.db2.gz NXXXIFVADIWYCX-UHFFFAOYSA-N -1 3 394.456 3.818 20 0 GHADHM COc1ccc(-n2nc3c(c2NC(=O)c2c(C)cc(O)cc2[O-])CSC3)cc1 ZINC001193923205 871394334 /nfs/dbraw/zinc/39/43/34/871394334.db2.gz ZTFSXGLVJVHFRI-UHFFFAOYSA-N -1 3 397.456 3.600 20 0 GHADHM C[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccc(Br)cn1 ZINC001193962596 871404752 /nfs/dbraw/zinc/40/47/52/871404752.db2.gz GOADVVRVBRXJDX-GFCCVEGCSA-N -1 3 385.265 3.858 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc2c(Cl)cccc2c1 ZINC001194237144 871577441 /nfs/dbraw/zinc/57/74/41/871577441.db2.gz YPUCZMJGJOAYOO-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1cc(F)cc(F)c1)c1cccc2cccnc21 ZINC001194257235 871592584 /nfs/dbraw/zinc/59/25/84/871592584.db2.gz PMFSGSPYBRMRST-UHFFFAOYSA-N -1 3 384.354 3.583 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3F)C2)sc1Cl ZINC000462144365 871674487 /nfs/dbraw/zinc/67/44/87/871674487.db2.gz YWVWMJFLTRCGAR-LBPRGKRZSA-N -1 3 388.917 3.654 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)cccc1Cl)c1cnccc1C(F)(F)F ZINC000525952418 871757427 /nfs/dbraw/zinc/75/74/27/871757427.db2.gz CLSRJCCPNZKCNO-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000794039170 882543836 /nfs/dbraw/zinc/54/38/36/882543836.db2.gz SVTDCBWFAXVPAM-IBGZPJMESA-N -1 3 396.487 3.733 20 0 GHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000182117277 871884769 /nfs/dbraw/zinc/88/47/69/871884769.db2.gz BGIVZIKVRXCLNV-UHFFFAOYSA-N -1 3 377.451 3.823 20 0 GHADHM CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001169880350 871953633 /nfs/dbraw/zinc/95/36/33/871953633.db2.gz MTCRYYYTYNORDV-QFIPXVFZSA-N -1 3 387.476 3.759 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000775615642 871969718 /nfs/dbraw/zinc/96/97/18/871969718.db2.gz ZTMIUWRYCUAGLS-MRXNPFEDSA-N -1 3 390.827 3.567 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000775615642 871969721 /nfs/dbraw/zinc/96/97/21/871969721.db2.gz ZTMIUWRYCUAGLS-MRXNPFEDSA-N -1 3 390.827 3.567 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)ncn3C)c1Cl ZINC001194918343 872030892 /nfs/dbraw/zinc/03/08/92/872030892.db2.gz ZNLNLRBPNBIBJI-UHFFFAOYSA-N -1 3 384.288 3.667 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)CSc3ccc(F)cc3)nc21 ZINC000477846501 872051083 /nfs/dbraw/zinc/05/10/83/872051083.db2.gz HYTBPVHBUVKULZ-LLVKDONJSA-N -1 3 387.436 3.856 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)n1 ZINC000447637504 872052627 /nfs/dbraw/zinc/05/26/27/872052627.db2.gz QLVIIFAPDNTLFE-UHFFFAOYSA-N -1 3 395.390 3.505 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccn(C4CCCCC4)n3)cc2)n1 ZINC000526080185 872068236 /nfs/dbraw/zinc/06/82/36/872068236.db2.gz WRLFLWXAALJUFT-UHFFFAOYSA-N -1 3 377.448 3.699 20 0 GHADHM COc1cccc2c(NC(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)cccc12 ZINC001194991244 872092075 /nfs/dbraw/zinc/09/20/75/872092075.db2.gz HENBDWRISNHUMB-UHFFFAOYSA-N -1 3 388.420 3.611 20 0 GHADHM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000552162891 872125167 /nfs/dbraw/zinc/12/51/67/872125167.db2.gz MKBPSMXICVDLFN-FQEVSTJZSA-N -1 3 395.499 3.635 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(C(C)C)cc3)c2)[n-]1 ZINC000447690732 872127483 /nfs/dbraw/zinc/12/74/83/872127483.db2.gz ZVPNQKARRNDFEY-UHFFFAOYSA-N -1 3 392.459 3.702 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(C(C)C)cc3)c2)n[n-]1 ZINC000447690732 872127493 /nfs/dbraw/zinc/12/74/93/872127493.db2.gz ZVPNQKARRNDFEY-UHFFFAOYSA-N -1 3 392.459 3.702 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)CC[Si](C)(C)C)cc1C(F)(F)F ZINC001195081496 872161131 /nfs/dbraw/zinc/16/11/31/872161131.db2.gz VTGOZATXJXXIBZ-UHFFFAOYSA-N -1 3 383.464 3.572 20 0 GHADHM O=C(Nc1ccsc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000526097822 872162951 /nfs/dbraw/zinc/16/29/51/872162951.db2.gz JZZQKYDBTGBCKW-UHFFFAOYSA-N -1 3 379.869 3.533 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1OC ZINC000243055876 872188848 /nfs/dbraw/zinc/18/88/48/872188848.db2.gz IHOZALKJFVEITM-UHFFFAOYSA-N -1 3 390.505 3.885 20 0 GHADHM CCc1ncc(Br)c(C(=O)[N-]c2nc(F)c(F)c(Cl)c2F)n1 ZINC001195154826 872220685 /nfs/dbraw/zinc/22/06/85/872220685.db2.gz ULAHVQMHSLOGBO-UHFFFAOYSA-N -1 3 395.566 3.520 20 0 GHADHM CCOC1CC2(C1)CCN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)C2 ZINC000552216746 872231690 /nfs/dbraw/zinc/23/16/90/872231690.db2.gz JMILBEHXCDLUCF-UHFFFAOYSA-N -1 3 382.464 3.581 20 0 GHADHM C[C@]1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCOc2ccccc21 ZINC001195261514 872290312 /nfs/dbraw/zinc/29/03/12/872290312.db2.gz SFZQPPGCAYTQAQ-IBGZPJMESA-N -1 3 386.498 3.786 20 0 GHADHM Cc1c2ccccc2sc1C(=O)N1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000093612878 872297744 /nfs/dbraw/zinc/29/77/44/872297744.db2.gz QHHQJGMJUNDTOK-UHFFFAOYSA-N -1 3 381.501 3.577 20 0 GHADHM COC(=O)CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC001195280109 872305019 /nfs/dbraw/zinc/30/50/19/872305019.db2.gz WEKCMRPICHXBIL-UHFFFAOYSA-N -1 3 394.320 3.928 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463679709 872320741 /nfs/dbraw/zinc/32/07/41/872320741.db2.gz OXOFOCUOVPWBLS-GFCCVEGCSA-N -1 3 398.887 3.942 20 0 GHADHM C[C@H](Sc1ccc(Br)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526959872 872359057 /nfs/dbraw/zinc/35/90/57/872359057.db2.gz MKHMWEOZHUVEIT-HZMBPMFUSA-N -1 3 396.310 3.565 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526959591 872360209 /nfs/dbraw/zinc/36/02/09/872360209.db2.gz JDJDDNXDAXIIAI-AWEZNQCLSA-N -1 3 386.304 3.862 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1Cl)c1cc(Br)ccc1F ZINC001195496965 872448498 /nfs/dbraw/zinc/44/84/98/872448498.db2.gz ZTITWTWCSKLLRX-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000094106254 872543113 /nfs/dbraw/zinc/54/31/13/872543113.db2.gz DWCAYGAJDVMXFL-GOSISDBHSA-N -1 3 384.501 3.725 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000552394330 872558002 /nfs/dbraw/zinc/55/80/02/872558002.db2.gz MALPVFSYPMJGOI-UHFFFAOYSA-N -1 3 386.517 3.985 20 0 GHADHM C[C@H]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000478133602 872580146 /nfs/dbraw/zinc/58/01/46/872580146.db2.gz ATFCBOMDYLUAKH-GJZGRUSLSA-N -1 3 390.480 3.793 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000619445922 872633110 /nfs/dbraw/zinc/63/31/10/872633110.db2.gz AKCSPTLULBYLGI-SFHVURJKSA-N -1 3 377.444 3.942 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)c[n-]1 ZINC000619445922 872633111 /nfs/dbraw/zinc/63/31/11/872633111.db2.gz AKCSPTLULBYLGI-SFHVURJKSA-N -1 3 377.444 3.942 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000191863983 882645243 /nfs/dbraw/zinc/64/52/43/882645243.db2.gz QXDPQXWCRPHONA-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3sc(N(C)C)nc3s2)cc1 ZINC000182753888 872756719 /nfs/dbraw/zinc/75/67/19/872756719.db2.gz LTQTUPRFAGHFJD-CYBMUJFWSA-N -1 3 398.513 3.947 20 0 GHADHM CCN(CC1CCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000478321270 872834910 /nfs/dbraw/zinc/83/49/10/872834910.db2.gz VRRWQLDAOIAWFG-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(Cl)cn1 ZINC001196266034 872979070 /nfs/dbraw/zinc/97/90/70/872979070.db2.gz INMYPHGZDZSWBK-QGZVFWFLSA-N -1 3 398.887 3.710 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cnc(Br)c(C(F)(F)F)c1 ZINC001196290362 873019559 /nfs/dbraw/zinc/01/95/59/873019559.db2.gz OSDXQGTWMNTHPV-UHFFFAOYSA-N -1 3 379.107 3.960 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1F)c1cccc(Br)n1 ZINC001196336807 873041455 /nfs/dbraw/zinc/04/14/55/873041455.db2.gz MVYOGDTYLQDIAS-AWEZNQCLSA-N -1 3 399.285 3.803 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)ccc1F ZINC000768109076 873086737 /nfs/dbraw/zinc/08/67/37/873086737.db2.gz UUGURFFOBMFMSW-HNNXBMFYSA-N -1 3 390.480 3.524 20 0 GHADHM O=c1nc(CS(=O)(=O)C2CC2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000527500766 873185777 /nfs/dbraw/zinc/18/57/77/873185777.db2.gz VXHROFDNLAEMEX-UHFFFAOYSA-N -1 3 380.878 3.795 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC001196551730 873205931 /nfs/dbraw/zinc/20/59/31/873205931.db2.gz WDNJHIWUBTYQPR-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000768294835 873215220 /nfs/dbraw/zinc/21/52/20/873215220.db2.gz FWAKLAZGKZINON-UHFFFAOYSA-N -1 3 389.293 3.993 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196595927 873216303 /nfs/dbraw/zinc/21/63/03/873216303.db2.gz JERSWTSFRXGHBP-UHFFFAOYSA-N -1 3 395.333 3.780 20 0 GHADHM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1ncc([O-])cc1Br ZINC001196682744 873282832 /nfs/dbraw/zinc/28/28/32/873282832.db2.gz MTBHGQIWXCPRHG-UHFFFAOYSA-N -1 3 377.025 3.812 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Br)s1)c1nccs1 ZINC000176934341 882751716 /nfs/dbraw/zinc/75/17/16/882751716.db2.gz QIAOQWZFMZOWAW-LBPRGKRZSA-N -1 3 395.369 3.879 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000448650039 873722477 /nfs/dbraw/zinc/72/24/77/873722477.db2.gz VRGUSNZTBSAGFR-UHFFFAOYSA-N -1 3 398.413 3.837 20 0 GHADHM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134142928 882754753 /nfs/dbraw/zinc/75/47/53/882754753.db2.gz TVEOTJVELHOHBJ-INIZCTEOSA-N -1 3 392.377 3.849 20 0 GHADHM Cc1ccc(C2([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)COC2)cc1 ZINC001197764250 874002251 /nfs/dbraw/zinc/00/22/51/874002251.db2.gz ZSPZALVWMWSXPF-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000804409002 882796394 /nfs/dbraw/zinc/79/63/94/882796394.db2.gz IWKIKHRYNMWVPH-JOCHJYFZSA-N -1 3 377.440 3.777 20 0 GHADHM O=C(NC1CCN(c2ccccc2)CC1)c1cc([O-])cc(Br)c1 ZINC000528145552 874137947 /nfs/dbraw/zinc/13/79/47/874137947.db2.gz HSHCJRIBFPMZQD-UHFFFAOYSA-N -1 3 375.266 3.554 20 0 GHADHM O=C(Oc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1[O-] ZINC000769632140 874178025 /nfs/dbraw/zinc/17/80/25/874178025.db2.gz AOYXGGRPMCYULI-UHFFFAOYSA-N -1 3 376.206 3.501 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000448921578 874211135 /nfs/dbraw/zinc/21/11/35/874211135.db2.gz NUQKGAWJEBRWAM-UHFFFAOYSA-N -1 3 377.843 3.592 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nccn1C ZINC000769647906 874211273 /nfs/dbraw/zinc/21/12/73/874211273.db2.gz VNXVJOBJSCABIR-FQEVSTJZSA-N -1 3 379.460 3.777 20 0 GHADHM O=S(=O)([N-]c1ncc(Br)cc1F)C1=Cc2ccccc2CC1 ZINC000769670475 874223213 /nfs/dbraw/zinc/22/32/13/874223213.db2.gz DNCHNAWRRIFMCE-UHFFFAOYSA-N -1 3 383.242 3.712 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198139944 874230015 /nfs/dbraw/zinc/23/00/15/874230015.db2.gz YMOVWJNWUGUQQT-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cn(Cc3ccccc3C(F)(F)F)cn2)n1 ZINC001198381158 874379701 /nfs/dbraw/zinc/37/97/01/874379701.db2.gz HVBOXLXQZGQHRQ-UHFFFAOYSA-N -1 3 376.338 3.612 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000769976594 874382943 /nfs/dbraw/zinc/38/29/43/874382943.db2.gz BKLNIBZGLNPKAK-SFHVURJKSA-N -1 3 397.452 3.558 20 0 GHADHM C[C@H](CCSc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000770008472 874400288 /nfs/dbraw/zinc/40/02/88/874400288.db2.gz YUAIPHRNYUHVDO-CYBMUJFWSA-N -1 3 397.493 3.925 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cc([O-])cc(Br)c2)N2CCCC2)o1 ZINC000528345134 874400531 /nfs/dbraw/zinc/40/05/31/874400531.db2.gz PEPQJQJNWDMSEL-INIZCTEOSA-N -1 3 393.281 3.623 20 0 GHADHM CC(C)(C)c1ccc(NC(=S)N2CCC([N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001198484294 874455691 /nfs/dbraw/zinc/45/56/91/874455691.db2.gz PBLQCDFFWJWRSE-UHFFFAOYSA-N -1 3 387.471 3.824 20 0 GHADHM CCc1cc2c(CN3CCC[C@@H]3c3ccc(OC)cn3)cc(=O)oc2cc1[O-] ZINC001198597630 874508317 /nfs/dbraw/zinc/50/83/17/874508317.db2.gz VVBPYDPWHXMVKU-LJQANCHMSA-N -1 3 380.444 3.802 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC001198792636 874638051 /nfs/dbraw/zinc/63/80/51/874638051.db2.gz HOQKIMSNMDSAAO-QLFBSQMISA-N -1 3 397.541 3.793 20 0 GHADHM CCC([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)(C1CC1)C1CC1 ZINC000528490586 874650794 /nfs/dbraw/zinc/65/07/94/874650794.db2.gz OJMREWQIIIKDRH-UHFFFAOYSA-N -1 3 388.892 3.685 20 0 GHADHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000775911401 874677892 /nfs/dbraw/zinc/67/78/92/874677892.db2.gz OZMDKSVRDMUAKR-SOFGYWHQSA-N -1 3 378.276 3.562 20 0 GHADHM COC(=O)c1ccccc1NC(=S)Nc1cc(Br)ccc1[O-] ZINC001198973267 874734930 /nfs/dbraw/zinc/73/49/30/874734930.db2.gz GMZXMHUUFDBADQ-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c3c(cccc31)CC2)c1nc(C(F)(F)F)n[n-]1 ZINC001199030203 874766141 /nfs/dbraw/zinc/76/61/41/874766141.db2.gz HBDHUHBXSFOCBN-VIFPVBQESA-N -1 3 375.354 3.958 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775931746 874791359 /nfs/dbraw/zinc/79/13/59/874791359.db2.gz BLTXZYMVKFGGQC-SECBINFHSA-N -1 3 384.215 3.892 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000542254237 875257698 /nfs/dbraw/zinc/25/76/98/875257698.db2.gz QSPLDJQPJDQIMO-AWEZNQCLSA-N -1 3 378.432 3.843 20 0 GHADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(C(F)(F)F)cs1 ZINC000465190485 875276576 /nfs/dbraw/zinc/27/65/76/875276576.db2.gz AAZCEGSCDUHFKF-SNVBAGLBSA-N -1 3 381.379 3.885 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000771714870 875409278 /nfs/dbraw/zinc/40/92/78/875409278.db2.gz RCGCHWGEPBUCRO-MEBBXXQBSA-N -1 3 398.290 3.773 20 0 GHADHM COc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000771744705 875431358 /nfs/dbraw/zinc/43/13/58/875431358.db2.gz LZJDMYJVWOKMMT-MLPAPPSSSA-N -1 3 379.199 3.805 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccc1F ZINC001201011703 875462919 /nfs/dbraw/zinc/46/29/19/875462919.db2.gz FONVANZZJXJCFH-VIFPVBQESA-N -1 3 376.222 3.767 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC001201179814 875546882 /nfs/dbraw/zinc/54/68/82/875546882.db2.gz VBRLYKJULMQQGH-UHFFFAOYSA-N -1 3 387.403 3.622 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC001201179814 875546897 /nfs/dbraw/zinc/54/68/97/875546897.db2.gz VBRLYKJULMQQGH-UHFFFAOYSA-N -1 3 387.403 3.622 20 0 GHADHM Cc1c(F)cccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201282483 875589317 /nfs/dbraw/zinc/58/93/17/875589317.db2.gz GVPCZZKUSJOMRV-CQSZACIVSA-N -1 3 396.242 3.592 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cn(C(C)(C)C)nc2C)[nH][n-]1 ZINC000542446886 875590197 /nfs/dbraw/zinc/59/01/97/875590197.db2.gz VYQRYNZYGSLFCE-UHFFFAOYSA-N -1 3 387.871 3.673 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2cc(Br)ccc2c1 ZINC000772011038 875613217 /nfs/dbraw/zinc/61/32/17/875613217.db2.gz JAWRGNDILHOTCU-LBPRGKRZSA-N -1 3 387.155 3.980 20 0 GHADHM Cc1cccc([C@H](C)C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000151583376 875631012 /nfs/dbraw/zinc/63/10/12/875631012.db2.gz DZBRIEJZKGMKRG-NSHDSACASA-N -1 3 395.684 3.976 20 0 GHADHM O=S(=O)([N-]c1c(F)cc(F)cc1F)c1ncccc1OCc1ccccc1 ZINC001201897990 875912840 /nfs/dbraw/zinc/91/28/40/875912840.db2.gz UZWDUQUZKQUDTG-UHFFFAOYSA-N -1 3 394.374 3.879 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC001202042738 875990695 /nfs/dbraw/zinc/99/06/95/875990695.db2.gz BFUZZDRSARKMSX-SECBINFHSA-N -1 3 380.330 3.670 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC001202042739 875990975 /nfs/dbraw/zinc/99/09/75/875990975.db2.gz BFUZZDRSARKMSX-VIFPVBQESA-N -1 3 380.330 3.670 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(Oc2ccncc2)c1 ZINC000172894119 875995432 /nfs/dbraw/zinc/99/54/32/875995432.db2.gz ZWXMHTGQZBNKHZ-UHFFFAOYSA-N -1 3 388.420 3.834 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N(CCN(C)C)Cc2cccc(C)c2)s1 ZINC000491861236 876005233 /nfs/dbraw/zinc/00/52/33/876005233.db2.gz DTWGRNKOLWBJLS-UHFFFAOYSA-N -1 3 389.569 3.768 20 0 GHADHM COc1ccc(Cl)cc1[C@@H](O)CNCc1cccc([O-])c1Br ZINC001202396281 876199251 /nfs/dbraw/zinc/19/92/51/876199251.db2.gz AIVOBSXJPPTSOA-AWEZNQCLSA-N -1 3 386.673 3.640 20 0 GHADHM CC[C@@]([N-]C(=O)C(F)(F)c1ncccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000804549033 883012037 /nfs/dbraw/zinc/01/20/37/883012037.db2.gz UKFDSLKZAZPTFP-SFHVURJKSA-N -1 3 396.821 3.730 20 0 GHADHM O=C(O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cc2occc2[n-]1 ZINC000786031227 876418030 /nfs/dbraw/zinc/41/80/30/876418030.db2.gz JXHAEUBYQJBAME-AWEZNQCLSA-N -1 3 394.305 3.622 20 0 GHADHM O=C(O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2occc2[n-]1 ZINC000786032948 876419335 /nfs/dbraw/zinc/41/93/35/876419335.db2.gz GSVDSMOZXFFGBY-CQSZACIVSA-N -1 3 378.306 3.742 20 0 GHADHM CC(C)OC(=O)Cc1nc(COC(=O)c2cc3sccc3c([O-])c2)cs1 ZINC000786140406 876469525 /nfs/dbraw/zinc/46/95/25/876469525.db2.gz OZVZONYWTQHYTH-UHFFFAOYSA-N -1 3 391.470 3.915 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)c3cccnc3)cc2)cc1 ZINC000173591018 876497079 /nfs/dbraw/zinc/49/70/79/876497079.db2.gz NBUIKHOXDLTTDT-MRXNPFEDSA-N -1 3 395.484 3.933 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(-c4ccccc4)[nH]n3)nc(=O)c2c1C ZINC000007028543 876513835 /nfs/dbraw/zinc/51/38/35/876513835.db2.gz RECUUXNPKQTGAQ-NSHDSACASA-N -1 3 394.456 3.910 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000176431525 876772420 /nfs/dbraw/zinc/77/24/20/876772420.db2.gz NYRDJIVULXKGGB-UHFFFAOYSA-N -1 3 399.285 3.740 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000786832630 876952231 /nfs/dbraw/zinc/95/22/31/876952231.db2.gz XSACEQSKPYPSIO-HNNXBMFYSA-N -1 3 384.451 3.858 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c([O-])c1 ZINC000786865520 876989673 /nfs/dbraw/zinc/98/96/73/876989673.db2.gz QTFWYSGEFOELAK-GOSISDBHSA-N -1 3 390.277 3.931 20 0 GHADHM CC[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc(C)cc1 ZINC000850576055 877044186 /nfs/dbraw/zinc/04/41/86/877044186.db2.gz GJWCWPNZAPVNAF-KRWDZBQOSA-N -1 3 386.496 3.756 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CN(CC(C)C)C2)c1ccccc1 ZINC000450986393 877151739 /nfs/dbraw/zinc/15/17/39/877151739.db2.gz OYHSWGZQBQZMOB-NRFANRHFSA-N -1 3 388.533 3.788 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787135771 877182902 /nfs/dbraw/zinc/18/29/02/877182902.db2.gz OXEIOXJAIJGUAV-HOCLYGCPSA-N -1 3 394.487 3.758 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787135762 877182951 /nfs/dbraw/zinc/18/29/51/877182951.db2.gz OXEIOXJAIJGUAV-GDBMZVCRSA-N -1 3 394.487 3.758 20 0 GHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000787134403 877183382 /nfs/dbraw/zinc/18/33/82/877183382.db2.gz XLMDTINSPOFXTA-UZLBHIALSA-N -1 3 381.394 3.761 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(COC)c2)cc1C(C)C ZINC000530133137 877183442 /nfs/dbraw/zinc/18/34/42/877183442.db2.gz FBNKYGPIFNCVPR-UHFFFAOYSA-N -1 3 393.505 3.782 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3cc4ccccc4o3)s2)c2ccccc21 ZINC000787140538 877190151 /nfs/dbraw/zinc/19/01/51/877190151.db2.gz HOTYTLXSLCXHOU-GXDHUFHOSA-N -1 3 388.408 3.674 20 0 GHADHM CCc1ccc(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000787209935 877255686 /nfs/dbraw/zinc/25/56/86/877255686.db2.gz APZVVJPNKQBSQN-UHFFFAOYSA-N -1 3 388.508 3.818 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000858455468 883112393 /nfs/dbraw/zinc/11/23/93/883112393.db2.gz YRJHPZXUBPDFMY-GFCCVEGCSA-N -1 3 397.269 3.707 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c(Cl)c1 ZINC000477227252 877265768 /nfs/dbraw/zinc/26/57/68/877265768.db2.gz ZWSYYINLXSVJNS-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)cc1 ZINC000451066580 877325084 /nfs/dbraw/zinc/32/50/84/877325084.db2.gz NGRLBOZSBGHGCC-UHFFFAOYSA-N -1 3 388.489 3.792 20 0 GHADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451067757 877326767 /nfs/dbraw/zinc/32/67/67/877326767.db2.gz POZSFCGNUOEXAA-CYBMUJFWSA-N -1 3 394.440 3.659 20 0 GHADHM COc1cc(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc(OC)c1[O-] ZINC000492690371 877345367 /nfs/dbraw/zinc/34/53/67/877345367.db2.gz FHLJGTSOCFTIOZ-IBGZPJMESA-N -1 3 393.439 3.960 20 0 GHADHM COCCCCc1cccnc1NC(=O)c1cc([O-])cc(Br)c1 ZINC000530269725 877385367 /nfs/dbraw/zinc/38/53/67/877385367.db2.gz YICVBQQHGKXFKT-UHFFFAOYSA-N -1 3 379.254 3.771 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000109744250 877386105 /nfs/dbraw/zinc/38/61/05/877386105.db2.gz LPLTXXOXUCOJJH-UHFFFAOYSA-N -1 3 390.439 3.956 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000530337347 877572879 /nfs/dbraw/zinc/57/28/79/877572879.db2.gz UQAMZGZIJPRPHS-INIZCTEOSA-N -1 3 385.357 3.723 20 0 GHADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000787730611 877593389 /nfs/dbraw/zinc/59/33/89/877593389.db2.gz WZAZVKQHNHFDHD-UHFFFAOYSA-N -1 3 385.836 3.703 20 0 GHADHM O=S(=O)([N-]CCCOCCc1ccccc1)c1c(Cl)cccc1Cl ZINC000615292363 877609633 /nfs/dbraw/zinc/60/96/33/877609633.db2.gz LQOBXSAPIKGMDX-UHFFFAOYSA-N -1 3 388.316 3.921 20 0 GHADHM COCc1ncsc1C(=O)[N-]c1cc(Br)cc2nc(C)oc21 ZINC000551651631 877611041 /nfs/dbraw/zinc/61/10/41/877611041.db2.gz IVYLKKHPGWMRIE-UHFFFAOYSA-N -1 3 382.239 3.754 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001212268655 877675579 /nfs/dbraw/zinc/67/55/79/877675579.db2.gz QSMULWMPGOTIGF-UHFFFAOYSA-N -1 3 395.749 3.938 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000068109295 877922511 /nfs/dbraw/zinc/92/25/11/877922511.db2.gz XAVVGVVRPJPJBS-LLVKDONJSA-N -1 3 393.256 3.715 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000068109297 877923200 /nfs/dbraw/zinc/92/32/00/877923200.db2.gz XAVVGVVRPJPJBS-NSHDSACASA-N -1 3 393.256 3.715 20 0 GHADHM CC(C)COC(=O)N1CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788297357 877976286 /nfs/dbraw/zinc/97/62/86/877976286.db2.gz VNPWCKDIRUFFNM-UHFFFAOYSA-N -1 3 376.478 3.547 20 0 GHADHM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc2sccc2c([O-])c1 ZINC000788304258 877983194 /nfs/dbraw/zinc/98/31/94/877983194.db2.gz FGBNKQCRALGPLJ-UHFFFAOYSA-N -1 3 381.432 3.904 20 0 GHADHM CCNC(=O)N1CCc2ccc(NC(=O)c3cc4sccc4c([O-])c3)cc21 ZINC000788305355 877983354 /nfs/dbraw/zinc/98/33/54/877983354.db2.gz HVWSWHNACRJTQG-UHFFFAOYSA-N -1 3 381.457 3.951 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000176054309 878057779 /nfs/dbraw/zinc/05/77/79/878057779.db2.gz QPCKRYDLWKGFJT-UHFFFAOYSA-N -1 3 382.291 3.955 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000176154501 878107649 /nfs/dbraw/zinc/10/76/49/878107649.db2.gz UHNDPJVSJJTLMA-UHFFFAOYSA-N -1 3 399.447 3.771 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccn(-c3c(F)cccc3F)n2)[nH][n-]1 ZINC000530680228 878309080 /nfs/dbraw/zinc/30/90/80/878309080.db2.gz OTOBBIPTNVEBTP-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM CCc1cc2c(CN[C@H](COC)c3cccc(OC)c3)cc(=O)oc2cc1[O-] ZINC000852447530 878329407 /nfs/dbraw/zinc/32/94/07/878329407.db2.gz ZYICJCNBPHGLMJ-LJQANCHMSA-N -1 3 383.444 3.547 20 0 GHADHM C[C@H]1C[C@H](CCS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)C[C@@H](C)C1 ZINC000245701796 878424860 /nfs/dbraw/zinc/42/48/60/878424860.db2.gz WUCLJUJSUIGIFW-GDNZZTSVSA-N -1 3 380.432 3.578 20 0 GHADHM COC(=O)CCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000530760138 878441061 /nfs/dbraw/zinc/44/10/61/878441061.db2.gz NGTNTJRZRGBNKL-UHFFFAOYSA-N -1 3 383.444 3.990 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC3CCOCC3)c2)cc1 ZINC000130481308 878617720 /nfs/dbraw/zinc/61/77/20/878617720.db2.gz BELVRAXLBHLYJX-UHFFFAOYSA-N -1 3 375.490 3.910 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000460827405 878634508 /nfs/dbraw/zinc/63/45/08/878634508.db2.gz GRTYQTITNFENQY-UHFFFAOYSA-N -1 3 379.478 3.551 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2)n1 ZINC000460831633 878680693 /nfs/dbraw/zinc/68/06/93/878680693.db2.gz OKNVARJTRONSQK-UHFFFAOYSA-N -1 3 391.424 3.514 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000538017122 878720460 /nfs/dbraw/zinc/72/04/60/878720460.db2.gz XLVZWIOTCMTGMF-OAHLLOKOSA-N -1 3 393.814 3.732 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)n[n-]2)o1 ZINC000180354375 878824969 /nfs/dbraw/zinc/82/49/69/878824969.db2.gz PSHTYQOXTUDFAG-UHFFFAOYSA-N -1 3 397.435 3.901 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000460933413 878854967 /nfs/dbraw/zinc/85/49/67/878854967.db2.gz POIQGUSABNVXBP-SNVBAGLBSA-N -1 3 394.440 3.686 20 0 GHADHM COC(=O)CCC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000530997527 878892172 /nfs/dbraw/zinc/89/21/72/878892172.db2.gz LNICGOZCOZAHHW-UHFFFAOYSA-N -1 3 395.499 3.983 20 0 GHADHM C[C@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000452113119 878998364 /nfs/dbraw/zinc/99/83/64/878998364.db2.gz BMGHLKIFFXKQRQ-ZBEGNZNMSA-N -1 3 381.350 3.719 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616825554 879131207 /nfs/dbraw/zinc/13/12/07/879131207.db2.gz ZCGYJZHLLQVKMA-HNNXBMFYSA-N -1 3 381.398 3.909 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000789737652 879254723 /nfs/dbraw/zinc/25/47/23/879254723.db2.gz RMRIWMULPNRAFU-UHFFFAOYSA-N -1 3 392.496 3.700 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(NCC(F)(F)F)c1)c2=O ZINC001183325905 912442632 /nfs/dbraw/zinc/44/26/32/912442632.db2.gz XLCSEWOGGZURHA-UHFFFAOYSA-N -1 3 391.349 3.763 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000493795894 879633529 /nfs/dbraw/zinc/63/35/29/879633529.db2.gz OKELJFJEGXRPQO-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN(CC(=O)[O-])CC(C)(C)C ZINC000854244313 879656793 /nfs/dbraw/zinc/65/67/93/879656793.db2.gz ZHQUGDCBJFOJNN-UHFFFAOYSA-N -1 3 381.879 3.965 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCCC1 ZINC000493896931 879725477 /nfs/dbraw/zinc/72/54/77/879725477.db2.gz KFQGXTGLBDGODP-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM COC(=O)Nc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)ccc1F ZINC001183378212 912492354 /nfs/dbraw/zinc/49/23/54/912492354.db2.gz PJINIKBIFRMKJI-UHFFFAOYSA-N -1 3 395.350 3.788 20 0 GHADHM COC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)ccc1F ZINC001183378212 912492359 /nfs/dbraw/zinc/49/23/59/912492359.db2.gz PJINIKBIFRMKJI-UHFFFAOYSA-N -1 3 395.350 3.788 20 0 GHADHM CCCC[C@@H](C)N(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000461421269 879775725 /nfs/dbraw/zinc/77/57/25/879775725.db2.gz HBKSPTXWLZEUJO-CYBMUJFWSA-N -1 3 383.448 3.643 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000854504115 879858451 /nfs/dbraw/zinc/85/84/51/879858451.db2.gz NATQSJRNMWBIEF-ZUOKHONESA-N -1 3 394.537 3.737 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3c[nH]c4cc(C)ccc34)nc21 ZINC000494090349 879879289 /nfs/dbraw/zinc/87/92/89/879879289.db2.gz YNGFDYRWFXABMX-UHFFFAOYSA-N -1 3 376.416 3.711 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854581198 879922844 /nfs/dbraw/zinc/92/28/44/879922844.db2.gz BWOIWDXUXHQFDE-INIZCTEOSA-N -1 3 396.447 3.863 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854581199 879923515 /nfs/dbraw/zinc/92/35/15/879923515.db2.gz BWOIWDXUXHQFDE-MRXNPFEDSA-N -1 3 396.447 3.863 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(-c4cscn4)c3)nc21 ZINC000494138826 879942456 /nfs/dbraw/zinc/94/24/56/879942456.db2.gz MJWSDAOOBRRFRN-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1c([O-])ccc(Br)c1C)CO2 ZINC000452758142 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Cc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)ccc1Br ZINC000551421238 883844227 /nfs/dbraw/zinc/84/42/27/883844227.db2.gz ZLNIVPAJBBMLTG-GOSISDBHSA-N -1 3 378.241 3.913 20 0 GHADHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000070108763 883988774 /nfs/dbraw/zinc/98/87/74/883988774.db2.gz BOOPGCPYUUCSJQ-MRVPVSSYSA-N -1 3 397.132 3.679 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4ccc(F)cc4nc3C)cc2)n1 ZINC000064342402 884228524 /nfs/dbraw/zinc/22/85/24/884228524.db2.gz HOIUWZLSZRVLOI-UHFFFAOYSA-N -1 3 388.402 3.993 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC[C@H](C)c2ccccc2)cc1OC ZINC000130185944 884293294 /nfs/dbraw/zinc/29/32/94/884293294.db2.gz FBAIFMLYAWKOPU-HNNXBMFYSA-N -1 3 390.505 3.979 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914603351 884296301 /nfs/dbraw/zinc/29/63/01/884296301.db2.gz LGZWPZRRBZUNPE-CQSZACIVSA-N -1 3 392.496 3.702 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C)cc1Cl ZINC000121912096 884392359 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CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OCC ZINC000898206988 884631802 /nfs/dbraw/zinc/63/18/02/884631802.db2.gz CJLYZANYPWFJHC-GFCCVEGCSA-N -1 3 393.871 3.586 20 0 GHADHM Cc1cc2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)oc2c(Br)c1 ZINC000898217997 884635857 /nfs/dbraw/zinc/63/58/57/884635857.db2.gz WRBCJVJRVPLYJQ-SNVBAGLBSA-N -1 3 390.237 3.562 20 0 GHADHM CCc1ccc(N(CC)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000914727300 884649175 /nfs/dbraw/zinc/64/91/75/884649175.db2.gz VADPVYWRBHWJPO-UHFFFAOYSA-N -1 3 392.496 3.742 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C(F)(F)F)c1 ZINC000523295488 884874956 /nfs/dbraw/zinc/87/49/56/884874956.db2.gz PCZCOVJDPOBRAG-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c2)n1 ZINC000298992979 921113886 /nfs/dbraw/zinc/11/38/86/921113886.db2.gz IUTBAQJIKFHRDY-UHFFFAOYSA-N -1 3 390.443 3.819 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914891066 885116040 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CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000104366335 885394794 /nfs/dbraw/zinc/39/47/94/885394794.db2.gz GKHONXGCYCROMN-UHFFFAOYSA-N -1 3 389.419 3.656 20 0 GHADHM O=C(COc1ccccc1OCc1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000107761603 885477459 /nfs/dbraw/zinc/47/74/59/885477459.db2.gz VQQAWUQRJCOPQX-UHFFFAOYSA-N -1 3 390.399 3.661 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nc(C)cs1 ZINC000104759895 885605406 /nfs/dbraw/zinc/60/54/06/885605406.db2.gz TTYYQSOWEBNSKE-NSHDSACASA-N -1 3 393.303 3.783 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)no1 ZINC000108251010 885617219 /nfs/dbraw/zinc/61/72/19/885617219.db2.gz DDWRSABGVAGTTA-UHFFFAOYSA-N -1 3 387.461 3.683 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000532467832 885623511 /nfs/dbraw/zinc/62/35/11/885623511.db2.gz HJSTWJLWBBVYSJ-ZWKOTPCHSA-N -1 3 384.480 3.873 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cccnc1F ZINC000807688747 885639837 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COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000532571936 886139450 /nfs/dbraw/zinc/13/94/50/886139450.db2.gz QOOLATHVIFYGDA-AWEZNQCLSA-N -1 3 399.516 3.889 20 0 GHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1OC ZINC000131546729 886237950 /nfs/dbraw/zinc/23/79/50/886237950.db2.gz SPGDVMOFNHNSQR-UHFFFAOYSA-N -1 3 390.505 3.646 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2SCCS[C@H]12)c1c(Cl)cccc1Cl ZINC000762530506 886336775 /nfs/dbraw/zinc/33/67/75/886336775.db2.gz UMFROAKBEUQHCW-IJLUTSLNSA-N -1 3 384.375 3.651 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)sc2C)s1 ZINC000104900420 886349578 /nfs/dbraw/zinc/34/95/78/886349578.db2.gz YKFZDSBUOFTYSK-UHFFFAOYSA-N -1 3 383.454 3.624 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1c(Cl)cccc1Cl ZINC000762541420 886359681 /nfs/dbraw/zinc/35/96/81/886359681.db2.gz XMISXYURYKSHKH-CYBMUJFWSA-N -1 3 398.670 3.798 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCOCC2)cc1F ZINC000762625246 886533776 /nfs/dbraw/zinc/53/37/76/886533776.db2.gz RDWKTPKZJCDJRG-LJQANCHMSA-N -1 3 381.444 3.719 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3C)n[n-]c21 ZINC000808673521 886668389 /nfs/dbraw/zinc/66/83/89/886668389.db2.gz DTPYTNBGXMDMDQ-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3C)[n-]nc21 ZINC000808673521 886668398 /nfs/dbraw/zinc/66/83/98/886668398.db2.gz DTPYTNBGXMDMDQ-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)OCc3nc(-c4ccc(Cl)cc4)no3)n[n-]c21 ZINC000808677024 886677464 /nfs/dbraw/zinc/67/74/64/886677464.db2.gz WBIRVLKJRFBDDO-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000808677024 886677470 /nfs/dbraw/zinc/67/74/70/886677470.db2.gz WBIRVLKJRFBDDO-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)CCC2(C)C)ccc1F ZINC001131430487 886702715 /nfs/dbraw/zinc/70/27/15/886702715.db2.gz BJIZDRIAYMRVQT-UHFFFAOYSA-N -1 3 398.544 3.943 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1cccc2ccccc21 ZINC000132303942 886782969 /nfs/dbraw/zinc/78/29/69/886782969.db2.gz UQTBJQYGSXYKEI-UHFFFAOYSA-N -1 3 399.244 3.563 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccnc(C(F)(F)F)c3)c2)n1 ZINC000808987882 886964872 /nfs/dbraw/zinc/96/48/72/886964872.db2.gz LWNURWGUWGEOTC-UHFFFAOYSA-N -1 3 375.306 3.791 20 0 GHADHM COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCCC1 ZINC000013181129 887068889 /nfs/dbraw/zinc/06/88/89/887068889.db2.gz MPNDTFMDGHSRCU-GOSISDBHSA-N -1 3 385.420 3.551 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000863470127 887135581 /nfs/dbraw/zinc/13/55/81/887135581.db2.gz BCRQMDSBHKRSCE-TWGQIWQCSA-N -1 3 385.435 3.846 20 0 GHADHM C[C@@H]1CC[C@H](CC(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707480 887441193 /nfs/dbraw/zinc/44/11/93/887441193.db2.gz JBEKWSPISFTMSN-NEPJUHHUSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@@H]1CC[C@H](CC(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707480 887441197 /nfs/dbraw/zinc/44/11/97/887441197.db2.gz JBEKWSPISFTMSN-NEPJUHHUSA-N -1 3 381.885 3.661 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)[N-]c3cc(F)ccn3)o2)CC1 ZINC000863931541 887467052 /nfs/dbraw/zinc/46/70/52/887467052.db2.gz OVFAKAQGJBPJMW-UHFFFAOYSA-N -1 3 390.415 3.576 20 0 GHADHM COc1cccc(C(=O)CCCC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000795998232 913155178 /nfs/dbraw/zinc/15/51/78/913155178.db2.gz RJQNHCJTGKXYAS-UHFFFAOYSA-N -1 3 396.399 3.547 20 0 GHADHM Cc1nc(CCNCc2cccc(F)c2OC(F)(F)F)sc1C(=O)[O-] ZINC000864503912 887808546 /nfs/dbraw/zinc/80/85/46/887808546.db2.gz KBKALMGGDYRDJC-UHFFFAOYSA-N -1 3 378.347 3.520 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cccc3cc(Br)cnc32)c2ccccc21 ZINC000794737748 887973796 /nfs/dbraw/zinc/97/37/96/887973796.db2.gz YSZPTZTYAUWZNH-XNTDXEJSSA-N -1 3 394.228 3.720 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)[C@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC000794775049 888011057 /nfs/dbraw/zinc/01/10/57/888011057.db2.gz MDSNDNDKMYYKHC-BUBHHJDNSA-N -1 3 376.787 3.791 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])ccc1OC(C)C ZINC000055247292 888121550 /nfs/dbraw/zinc/12/15/50/888121550.db2.gz UQYQVVHZJALBCC-CYBMUJFWSA-N -1 3 386.448 3.637 20 0 GHADHM CCCOc1ccc([C@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1OC ZINC000055281337 888130875 /nfs/dbraw/zinc/13/08/75/888130875.db2.gz GPXHCTDWKIIWAS-ZDUSSCGKSA-N -1 3 386.448 3.639 20 0 GHADHM C[C@H](CC(=O)[N-]OCc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000763186226 888148885 /nfs/dbraw/zinc/14/88/85/888148885.db2.gz HARONHBFDWQVMU-AEFFLSMTSA-N -1 3 376.497 3.908 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(CCc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000810069859 888155274 /nfs/dbraw/zinc/15/52/74/888155274.db2.gz JOAJHTNUHCFWQP-NSHDSACASA-N -1 3 383.241 3.926 20 0 GHADHM COc1cnc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nc1 ZINC000436780271 888184431 /nfs/dbraw/zinc/18/44/31/888184431.db2.gz ZGSNSADLFMXFIM-UHFFFAOYSA-N -1 3 378.413 3.720 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000055484169 888186789 /nfs/dbraw/zinc/18/67/89/888186789.db2.gz IIFWFULSSUAYNM-ZIAGYGMSSA-N -1 3 393.484 3.511 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2nc(-c3ccc(Br)s3)no2)n1 ZINC000763209631 888302254 /nfs/dbraw/zinc/30/22/54/888302254.db2.gz TUXOWICMZBUMJD-UHFFFAOYSA-N -1 3 399.295 3.798 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(Br)cc2)n1 ZINC000763210118 888303799 /nfs/dbraw/zinc/30/37/99/888303799.db2.gz VPTHBUGRWOWVPL-JTQLQIEISA-N -1 3 382.283 3.514 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2cccc(Br)c2)n1 ZINC000763215442 888323870 /nfs/dbraw/zinc/32/38/70/888323870.db2.gz JPDKUTGIQMDSDD-SNVBAGLBSA-N -1 3 382.283 3.514 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)CCC=C(C)C)cc1OC ZINC000454287887 888456186 /nfs/dbraw/zinc/45/61/86/888456186.db2.gz PBWNMFAKPQGLDT-AWEZNQCLSA-N -1 3 383.514 3.713 20 0 GHADHM Cc1ccc(N2CCC[C@@H]2COC(=O)c2cc3cc(Cl)sc3[n-]2)nn1 ZINC000810596628 888645374 /nfs/dbraw/zinc/64/53/74/888645374.db2.gz MVMJVUSBCYEBQE-GFCCVEGCSA-N -1 3 376.869 3.807 20 0 GHADHM COc1cc(/C=C2/C(=O)N(C)c3ncc(Br)cc32)cc(Cl)c1[O-] ZINC000794876120 888652457 /nfs/dbraw/zinc/65/24/57/888652457.db2.gz BNQDPOXBZPFXGR-QDEBKDIKSA-N -1 3 395.640 3.729 20 0 GHADHM COc1ncc(C)cc1[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000747617620 888703094 /nfs/dbraw/zinc/70/30/94/888703094.db2.gz RXCDGCHYORNGBC-BQYQJAHWSA-N -1 3 383.267 3.574 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1)C(C)C ZINC000916108703 888719706 /nfs/dbraw/zinc/71/97/06/888719706.db2.gz PSQJRUXBHHWLAH-UHFFFAOYSA-N -1 3 378.494 3.739 20 0 GHADHM O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1[N-]c1nccnc1C(F)F ZINC001170611971 888737240 /nfs/dbraw/zinc/73/72/40/888737240.db2.gz NGSMAXRTOYZUCV-IBGZPJMESA-N -1 3 379.370 3.642 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2N(C)C1=O ZINC000532733252 888790153 /nfs/dbraw/zinc/79/01/53/888790153.db2.gz NRTCMCNEHYAYEP-ZDUSSCGKSA-N -1 3 388.427 3.701 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)cc1OC ZINC000454379534 888924491 /nfs/dbraw/zinc/92/44/91/888924491.db2.gz UEDZOECFOWOINK-UGSOOPFHSA-N -1 3 383.514 3.547 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000866596979 888959187 /nfs/dbraw/zinc/95/91/87/888959187.db2.gz MFQZDKCZZJADJR-MEYUZBJRSA-N -1 3 376.884 3.515 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1OCc1ccccc1 ZINC000866629146 888981136 /nfs/dbraw/zinc/98/11/36/888981136.db2.gz XIZIJPSPLXCRIX-INIZCTEOSA-N -1 3 391.471 3.685 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(SC(F)(F)F)c1 ZINC000866630333 888984265 /nfs/dbraw/zinc/98/42/65/888984265.db2.gz OFQAOHNNQWDTKA-JTQLQIEISA-N -1 3 385.411 3.718 20 0 GHADHM COc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1F ZINC000153991775 889007157 /nfs/dbraw/zinc/00/71/57/889007157.db2.gz BYGLNGAQFLDTIN-OAHLLOKOSA-N -1 3 392.858 3.588 20 0 GHADHM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810899812 889008012 /nfs/dbraw/zinc/00/80/12/889008012.db2.gz HOMLUBFSHLNMEI-DOTOQJQBSA-N -1 3 398.469 3.906 20 0 GHADHM CC(C)(CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000810904124 889012268 /nfs/dbraw/zinc/01/22/68/889012268.db2.gz XITSPFRVGJHFRC-CQSZACIVSA-N -1 3 376.463 3.900 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000916466069 889028131 /nfs/dbraw/zinc/02/81/31/889028131.db2.gz JYBMOEXWQUQMJV-SFHVURJKSA-N -1 3 394.479 3.591 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccco2)n1 ZINC000123419729 889032060 /nfs/dbraw/zinc/03/20/60/889032060.db2.gz LSDBQMGHXMAAQI-GFCCVEGCSA-N -1 3 383.433 3.837 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1c(Cl)cccc1Cl ZINC000532858671 889096794 /nfs/dbraw/zinc/09/67/94/889096794.db2.gz MVPQLXVPXFNQMZ-KMUNFCNLSA-N -1 3 376.305 3.619 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000121997522 889272998 /nfs/dbraw/zinc/27/29/98/889272998.db2.gz KGIORURKPKVRII-UHFFFAOYSA-N -1 3 399.372 3.871 20 0 GHADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000154114915 889280464 /nfs/dbraw/zinc/28/04/64/889280464.db2.gz OPDWUKIRABIIFB-UHFFFAOYSA-N -1 3 387.274 3.644 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000868382664 889419087 /nfs/dbraw/zinc/41/90/87/889419087.db2.gz IOPRYWHTPKGXJU-UHFFFAOYSA-N -1 3 397.287 3.503 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000123970562 889464868 /nfs/dbraw/zinc/46/48/68/889464868.db2.gz AMLRSIDLYNDVDS-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCc1ccco1 ZINC000811393816 889534356 /nfs/dbraw/zinc/53/43/56/889534356.db2.gz SNMKKWDGHNBRBS-AWEZNQCLSA-N -1 3 380.853 3.974 20 0 GHADHM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cc2cc(Cl)sc2[n-]1 ZINC000811396107 889537928 /nfs/dbraw/zinc/53/79/28/889537928.db2.gz LPAVUUDRFYNDBC-UHFFFAOYSA-N -1 3 394.239 3.901 20 0 GHADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000533095815 889719326 /nfs/dbraw/zinc/71/93/26/889719326.db2.gz UIEBTQGAXQSJDQ-CQSZACIVSA-N -1 3 394.707 3.967 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(F)c1I ZINC000533088625 889752993 /nfs/dbraw/zinc/75/29/93/889752993.db2.gz UPGSYRQGZWPLRV-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874101 890068959 /nfs/dbraw/zinc/06/89/59/890068959.db2.gz IEJLATMDMBFADO-PMPSAXMXSA-N -1 3 391.478 3.691 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c(Br)c1 ZINC001184804954 913417052 /nfs/dbraw/zinc/41/70/52/913417052.db2.gz AXBWOPWWYXQKSK-JTQLQIEISA-N -1 3 389.702 3.845 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812003479 890228485 /nfs/dbraw/zinc/22/84/85/890228485.db2.gz DZIXULIGPSXVMA-HOCLYGCPSA-N -1 3 399.457 3.874 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(Cl)c3N)nc(=O)c2c1C ZINC000018404874 890507785 /nfs/dbraw/zinc/50/77/85/890507785.db2.gz VKIFWIQCRLJKHK-MRVPVSSYSA-N -1 3 377.853 3.755 20 0 GHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nnc2ccccc2c1[O-] ZINC000812319128 890535725 /nfs/dbraw/zinc/53/57/25/890535725.db2.gz VVIRAPYVHPASCI-UHFFFAOYSA-N -1 3 399.332 3.792 20 0 GHADHM CC(=O)CCc1ccc(OCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126722895 890664081 /nfs/dbraw/zinc/66/40/81/890664081.db2.gz NXJWYSGVIZOTJL-UHFFFAOYSA-N -1 3 392.249 3.694 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)c2ccccc21)C(F)(F)F ZINC000871316184 890752091 /nfs/dbraw/zinc/75/20/91/890752091.db2.gz RJWAXAXTHKRNKL-YOEHRIQHSA-N -1 3 388.389 3.525 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1 ZINC000126853478 890785310 /nfs/dbraw/zinc/78/53/10/890785310.db2.gz WCBPUMJWTFKRKO-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H]1CC1(C)C ZINC001212219329 890818272 /nfs/dbraw/zinc/81/82/72/890818272.db2.gz FVOHWDYSGBYAEZ-GXSJLCMTSA-N -1 3 381.723 3.601 20 0 GHADHM Cc1cnccc1CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000533638698 891008748 /nfs/dbraw/zinc/00/87/48/891008748.db2.gz MAMOYLMJSGYEJD-UHFFFAOYSA-N -1 3 393.921 3.688 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000127418103 891050297 /nfs/dbraw/zinc/05/02/97/891050297.db2.gz BEJRRROANARHJV-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000127418103 891050313 /nfs/dbraw/zinc/05/03/13/891050313.db2.gz BEJRRROANARHJV-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM CCCCOc1ccc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1OCC ZINC000533675230 891115727 /nfs/dbraw/zinc/11/57/27/891115727.db2.gz QNAOPGBKZXVBRT-UHFFFAOYSA-N -1 3 380.448 3.724 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2scnc2C(F)(F)F)c1Cl ZINC001133531348 891157750 /nfs/dbraw/zinc/15/77/50/891157750.db2.gz HTCYNFDBYLDAJI-UHFFFAOYSA-N -1 3 382.722 3.993 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1Br)c1nccs1 ZINC000127628642 891174942 /nfs/dbraw/zinc/17/49/42/891174942.db2.gz KDYMXJOHJUSMJY-LLVKDONJSA-N -1 3 375.313 3.644 20 0 GHADHM Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCOc2ccc(C(=O)[O-])cc2Cl)no1 ZINC000872164639 891188849 /nfs/dbraw/zinc/18/88/49/891188849.db2.gz UFULUDSFEWECHG-GOOCMWNKSA-N -1 3 391.855 3.519 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)c(C(F)F)c1 ZINC000872353293 891244559 /nfs/dbraw/zinc/24/45/59/891244559.db2.gz CSHXPGGTZBRZAP-CYBMUJFWSA-N -1 3 387.379 3.732 20 0 GHADHM CCOCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000825604833 891263311 /nfs/dbraw/zinc/26/33/11/891263311.db2.gz LDQBPXMZBIFQRW-UHFFFAOYSA-N -1 3 383.452 3.639 20 0 GHADHM CCOCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000825604833 891263328 /nfs/dbraw/zinc/26/33/28/891263328.db2.gz LDQBPXMZBIFQRW-UHFFFAOYSA-N -1 3 383.452 3.639 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1OCC ZINC000127824699 891264287 /nfs/dbraw/zinc/26/42/87/891264287.db2.gz IDFSWOWHUCKQFV-UHFFFAOYSA-N -1 3 378.494 3.659 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000825616049 891276969 /nfs/dbraw/zinc/27/69/69/891276969.db2.gz UVNPVEWBCWQZAC-UHFFFAOYSA-N -1 3 377.857 3.795 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000825616049 891276984 /nfs/dbraw/zinc/27/69/84/891276984.db2.gz UVNPVEWBCWQZAC-UHFFFAOYSA-N -1 3 377.857 3.795 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000128187294 891470170 /nfs/dbraw/zinc/47/01/70/891470170.db2.gz CGHDHSLXOBZNGN-VOJFVSQTSA-N -1 3 376.840 3.510 20 0 GHADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc([O-])c1F ZINC000128253628 891509717 /nfs/dbraw/zinc/50/97/17/891509717.db2.gz JYQPQXCBPZCHOL-UHFFFAOYSA-N -1 3 378.407 3.915 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2cc(Cl)ccc2[O-])c2nccn2C)c1 ZINC000237362624 891554339 /nfs/dbraw/zinc/55/43/39/891554339.db2.gz VSOWPABEVABPLM-LJQANCHMSA-N -1 3 387.867 3.676 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)CCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)s1 ZINC000497577172 891890542 /nfs/dbraw/zinc/89/05/42/891890542.db2.gz ATUVZDFSTVFZFI-UHFFFAOYSA-N -1 3 395.484 3.819 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccc(Cl)cc1 ZINC000497565577 891900821 /nfs/dbraw/zinc/90/08/21/891900821.db2.gz YHVYWHSQZGUATQ-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c2ccccc2nc2c1CCCCC2 ZINC001133907519 891926590 /nfs/dbraw/zinc/92/65/90/891926590.db2.gz ZKPNVPBEPIMDPD-UHFFFAOYSA-N -1 3 375.354 3.893 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c2ccccc2nc2c1CCCCC2 ZINC001133907519 891926604 /nfs/dbraw/zinc/92/66/04/891926604.db2.gz ZKPNVPBEPIMDPD-UHFFFAOYSA-N -1 3 375.354 3.893 20 0 GHADHM CO[C@@H]1CCC[C@@H]1Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000645028914 913621335 /nfs/dbraw/zinc/62/13/35/913621335.db2.gz PDCPSVONIGCZDX-KGLIPLIRSA-N -1 3 376.869 3.834 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1cnc(Cl)c(Cl)c1 ZINC000747883402 892068934 /nfs/dbraw/zinc/06/89/34/892068934.db2.gz GSLPUEZKNJHIQW-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NCc2cccc(COc3ccccc3)c2)c2ccccc21 ZINC000917606332 892276526 /nfs/dbraw/zinc/27/65/26/892276526.db2.gz LSFGPAZIUYNKRI-JCMHNJIXSA-N -1 3 384.435 3.666 20 0 GHADHM CC1(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC(F)(F)C1 ZINC000874853382 892354135 /nfs/dbraw/zinc/35/41/35/892354135.db2.gz DQLNIWYXXWEABZ-QGZVFWFLSA-N -1 3 388.414 3.557 20 0 GHADHM CN(C(=O)CN1CCC[C@H](CCC(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000263127381 892444978 /nfs/dbraw/zinc/44/49/78/892444978.db2.gz MQBJCHQPONPKOO-LJQANCHMSA-N -1 3 394.515 3.811 20 0 GHADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1cc2ccccc2o1 ZINC000068650064 892517144 /nfs/dbraw/zinc/51/71/44/892517144.db2.gz SZLLIHWPYKOISJ-GFCCVEGCSA-N -1 3 377.400 3.931 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC000633184202 892537029 /nfs/dbraw/zinc/53/70/29/892537029.db2.gz FIFYBHQHHZTACP-UHFFFAOYSA-N -1 3 375.347 3.931 20 0 GHADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3F)co2)cc1 ZINC000509681397 892766611 /nfs/dbraw/zinc/76/66/11/892766611.db2.gz JAIDGKJNURNAIY-UHFFFAOYSA-N -1 3 394.855 3.964 20 0 GHADHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cs1 ZINC000497970493 892830277 /nfs/dbraw/zinc/83/02/77/892830277.db2.gz FXVCVCHOACVZSD-UHFFFAOYSA-N -1 3 376.906 3.754 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000129108985 893046041 /nfs/dbraw/zinc/04/60/41/893046041.db2.gz ULBWLFVLSCFMPS-SNVBAGLBSA-N -1 3 383.206 3.830 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]CCc2nc(C(F)(F)F)cs2)cnc1Cl ZINC000933811495 893235537 /nfs/dbraw/zinc/23/55/37/893235537.db2.gz HXCFAYMFCRFJIM-UHFFFAOYSA-N -1 3 399.772 3.969 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2Br)c1 ZINC000533863988 893270588 /nfs/dbraw/zinc/27/05/88/893270588.db2.gz HRNJYYOFCKFTQU-UHFFFAOYSA-N -1 3 391.265 3.778 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCc3ncc(C(C)(C)C)o3)nc21 ZINC001134753213 893289304 /nfs/dbraw/zinc/28/93/04/893289304.db2.gz HDFLTFRIHHJYAU-UHFFFAOYSA-N -1 3 384.436 3.596 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3coc4c3cccc4OC)nc21 ZINC001134753838 893290254 /nfs/dbraw/zinc/29/02/54/893290254.db2.gz YWPDBQFLNSUTJT-UHFFFAOYSA-N -1 3 379.372 3.747 20 0 GHADHM COc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000126132636 893309463 /nfs/dbraw/zinc/30/94/63/893309463.db2.gz VZVWYNDSHSLJAI-UHFFFAOYSA-N -1 3 397.244 3.644 20 0 GHADHM COc1cnc([C@H]2CCCN2CCCCCn2c(C)nc3ccccc32)[n-]c1=O ZINC000934279787 893521873 /nfs/dbraw/zinc/52/18/73/893521873.db2.gz PJSBDHZQZPTXNC-LJQANCHMSA-N -1 3 395.507 3.856 20 0 GHADHM O=C(COC[C@@H]1CCCO1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129505163 893522778 /nfs/dbraw/zinc/52/27/78/893522778.db2.gz SSLJJFQMKKMFKM-AWEZNQCLSA-N -1 3 384.457 3.803 20 0 GHADHM COCCCn1c(=O)[n-]nc1S[C@H]1CCCc2ccc(Br)cc21 ZINC000536700614 893572583 /nfs/dbraw/zinc/57/25/83/893572583.db2.gz XQPGZUMKTVNAQS-AWEZNQCLSA-N -1 3 398.326 3.952 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](CC)Oc3ccccc3F)nc21 ZINC001134941052 893646928 /nfs/dbraw/zinc/64/69/28/893646928.db2.gz SPVPKVVTGJDOIV-HNNXBMFYSA-N -1 3 385.395 3.675 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(Br)c1 ZINC000563524729 893863163 /nfs/dbraw/zinc/86/31/63/893863163.db2.gz GBUYJUMUKUCNCA-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H](NCc2cccc([O-])c2Br)[C@@H]1O ZINC000459679325 894056307 /nfs/dbraw/zinc/05/63/07/894056307.db2.gz CACDGZHKDDJREA-HIFRSBDPSA-N -1 3 384.295 3.579 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878192191 894081683 /nfs/dbraw/zinc/08/16/83/894081683.db2.gz WRJHHXURKNKLNO-AWEZNQCLSA-N -1 3 396.516 3.880 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCN(c3ccc(F)cc3Cl)CC2)o1 ZINC000878303258 894180082 /nfs/dbraw/zinc/18/00/82/894180082.db2.gz LKFZRLHXRPEYPP-UHFFFAOYSA-N -1 3 388.830 3.557 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)c2cc([O-])ccc2Cl)C2CC2)C1 ZINC000815846653 894256887 /nfs/dbraw/zinc/25/68/87/894256887.db2.gz RLFYUMHLZBJDJZ-CYBMUJFWSA-N -1 3 380.872 3.660 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2[O-])o1)[C@H](C)C(=O)Nc1ccccc1C ZINC000878526773 894360908 /nfs/dbraw/zinc/36/09/08/894360908.db2.gz PZFLEZGJZUSPJX-MRXNPFEDSA-N -1 3 394.475 3.990 20 0 GHADHM CCn1cc(C(=O)[N-]c2nc(-c3ccc(OC)cc3)ns2)c(C(F)(F)F)n1 ZINC000564034971 894500427 /nfs/dbraw/zinc/50/04/27/894500427.db2.gz PUUSLNUPPAPSNG-UHFFFAOYSA-N -1 3 397.382 3.701 20 0 GHADHM O=C(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])OCc1ccccc1 ZINC001135520318 894726580 /nfs/dbraw/zinc/72/65/80/894726580.db2.gz ZQDOUCWKCZJBPC-UHFFFAOYSA-N -1 3 389.451 3.651 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC001135585766 894824074 /nfs/dbraw/zinc/82/40/74/894824074.db2.gz ZLJVETWCPFNHFD-UHFFFAOYSA-N -1 3 396.468 3.778 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCOC4(CCC4)C3)cc2)cc(=O)[n-]1 ZINC000564292789 894827289 /nfs/dbraw/zinc/82/72/89/894827289.db2.gz WFJYODGVTFLXTR-HNNXBMFYSA-N -1 3 382.464 3.628 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C(C)(C)C1 ZINC000816591638 894937042 /nfs/dbraw/zinc/93/70/42/894937042.db2.gz JZIGZBXULLZBQX-HNNXBMFYSA-N -1 3 382.888 3.811 20 0 GHADHM O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000564427362 894971218 /nfs/dbraw/zinc/97/12/18/894971218.db2.gz KVFPQHODWZTECR-UHFFFAOYSA-N -1 3 393.270 3.687 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000816656877 895000651 /nfs/dbraw/zinc/00/06/51/895000651.db2.gz FVKRWUYLMYIGNC-WQGACYEGSA-N -1 3 382.888 3.809 20 0 GHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1cccs1 ZINC000645484255 913928508 /nfs/dbraw/zinc/92/85/08/913928508.db2.gz AWUKMUBBDMDGBB-MRXNPFEDSA-N -1 3 398.550 3.807 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000816777150 895065500 /nfs/dbraw/zinc/06/55/00/895065500.db2.gz SZIKCVIMFDQICK-ROUUACIJSA-N -1 3 398.469 3.809 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1nc(F)ccc1Br ZINC000816943806 895227628 /nfs/dbraw/zinc/22/76/28/895227628.db2.gz KKPGBKHBHHELJX-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000816975170 895234631 /nfs/dbraw/zinc/23/46/31/895234631.db2.gz BOHVGGMVIWAPGX-INIZCTEOSA-N -1 3 375.513 3.736 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1(Cl)Cl ZINC000817140896 895349780 /nfs/dbraw/zinc/34/97/80/895349780.db2.gz GOXLNOXRGIVUDI-LBPRGKRZSA-N -1 3 392.226 3.679 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](C)N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC000880087825 895505805 /nfs/dbraw/zinc/50/58/05/895505805.db2.gz HMSMMYLNJJKJCV-CYBMUJFWSA-N -1 3 381.432 3.579 20 0 GHADHM Cn1ccnc1[C@@H]1N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1(C)C ZINC000565345741 895551593 /nfs/dbraw/zinc/55/15/93/895551593.db2.gz YHETYHOVBTUICJ-FQEVSTJZSA-N -1 3 375.472 3.940 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000880275424 895607363 /nfs/dbraw/zinc/60/73/63/895607363.db2.gz PQRWVVAYYOCVQG-OAHLLOKOSA-N -1 3 388.873 3.575 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000880275424 895607371 /nfs/dbraw/zinc/60/73/71/895607371.db2.gz PQRWVVAYYOCVQG-OAHLLOKOSA-N -1 3 388.873 3.575 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000880286000 895618195 /nfs/dbraw/zinc/61/81/95/895618195.db2.gz QDQCFAMOYJKKMV-BBWFWOEESA-N -1 3 391.468 3.647 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000880286000 895618205 /nfs/dbraw/zinc/61/82/05/895618205.db2.gz QDQCFAMOYJKKMV-BBWFWOEESA-N -1 3 391.468 3.647 20 0 GHADHM CO[C@]1(C(F)(F)F)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000880303635 895626435 /nfs/dbraw/zinc/62/64/35/895626435.db2.gz HKKJTBLRJNCUDS-MRXNPFEDSA-N -1 3 399.394 3.810 20 0 GHADHM Cc1cc(F)c(Br)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC001185687212 914018032 /nfs/dbraw/zinc/01/80/32/914018032.db2.gz BESATADIJQUDKI-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1Br ZINC001185688280 914019792 /nfs/dbraw/zinc/01/97/92/914019792.db2.gz XFUGMIYQJMENBT-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(N)cc1[O-])OCCO3 ZINC000817910388 895957991 /nfs/dbraw/zinc/95/79/91/895957991.db2.gz FHANFFBHTLIMKC-CQSZACIVSA-N -1 3 394.471 3.774 20 0 GHADHM CCN(c1ccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])cc1)C(C)C ZINC000818329373 896115309 /nfs/dbraw/zinc/11/53/09/896115309.db2.gz WGSMQVYNLKUOQN-GOSISDBHSA-N -1 3 375.513 3.579 20 0 GHADHM CC1CCN(c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2)CC1 ZINC001136145093 896169412 /nfs/dbraw/zinc/16/94/12/896169412.db2.gz SCZKZBSMDIJLQP-UHFFFAOYSA-N -1 3 387.505 3.547 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000566510363 896346080 /nfs/dbraw/zinc/34/60/80/896346080.db2.gz PKZBGIVXXMUSSI-LAUBAEHRSA-N -1 3 392.499 3.659 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCc1cccc(Cl)c1 ZINC000566696599 896501079 /nfs/dbraw/zinc/50/10/79/896501079.db2.gz RVOGWOXAZSMGAP-UHFFFAOYSA-N -1 3 384.867 3.567 20 0 GHADHM CSc1ccc(C)c(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230270 896556185 /nfs/dbraw/zinc/55/61/85/896556185.db2.gz LXFPSBUQBSLXPM-SFHVURJKSA-N -1 3 394.504 3.505 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H]3CC(C)(C)OC3(C)C)[n-]c(=O)c12 ZINC000882110865 896665466 /nfs/dbraw/zinc/66/54/66/896665466.db2.gz UURZQRFXSQDDNU-NSHDSACASA-N -1 3 391.493 3.511 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1 ZINC001136228324 896755699 /nfs/dbraw/zinc/75/56/99/896755699.db2.gz IDNJYFVMQSYRRP-UHFFFAOYSA-N -1 3 382.313 3.605 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826278015 896864673 /nfs/dbraw/zinc/86/46/73/896864673.db2.gz OPVCIRHOLWFRAI-HNNXBMFYSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826278015 896864681 /nfs/dbraw/zinc/86/46/81/896864681.db2.gz OPVCIRHOLWFRAI-HNNXBMFYSA-N -1 3 398.854 3.864 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000567172482 896935689 /nfs/dbraw/zinc/93/56/89/896935689.db2.gz PIRAMWMBWHHPJL-LLVKDONJSA-N -1 3 394.258 3.585 20 0 GHADHM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC001136271349 896998984 /nfs/dbraw/zinc/99/89/84/896998984.db2.gz UTTGYOHVPNJJTL-GOSISDBHSA-N -1 3 393.418 3.749 20 0 GHADHM CC[C@]1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC000819825237 897012106 /nfs/dbraw/zinc/01/21/06/897012106.db2.gz QXNMZYMAYVYZBM-HXUWFJFHSA-N -1 3 376.453 3.713 20 0 GHADHM COc1cc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1C ZINC000026249847 897125035 /nfs/dbraw/zinc/12/50/35/897125035.db2.gz WIYJBNQYGUMCBF-LBPRGKRZSA-N -1 3 386.473 3.765 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC000042090838 897129223 /nfs/dbraw/zinc/12/92/23/897129223.db2.gz VELQNIAVSFZDHX-UHFFFAOYSA-N -1 3 393.877 3.514 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]CCc2cccc(C(F)(F)F)n2)cnc1Cl ZINC000820501362 897342230 /nfs/dbraw/zinc/34/22/30/897342230.db2.gz PMKXPQZYZQDVJM-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(OCC2CC2)cc1F ZINC001185861990 914152442 /nfs/dbraw/zinc/15/24/42/914152442.db2.gz HGYQLZJQXITKBM-UHFFFAOYSA-N -1 3 381.201 3.730 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2ccc(Br)cc2)c1-c1nnn[n-]1 ZINC000826310731 897466093 /nfs/dbraw/zinc/46/60/93/897466093.db2.gz GGNXPGLPGZEHMU-CQSZACIVSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000826310731 897466100 /nfs/dbraw/zinc/46/61/00/897466100.db2.gz GGNXPGLPGZEHMU-CQSZACIVSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N[C@H](C)c2ccc(F)c(Br)c2)c1-c1nnn[n-]1 ZINC000826314577 897495860 /nfs/dbraw/zinc/49/58/60/897495860.db2.gz CNNUFTKCLQVHDZ-SECBINFHSA-N -1 3 377.221 3.645 20 0 GHADHM Cc1ccnc(N[C@H](C)c2ccc(F)c(Br)c2)c1-c1nn[n-]n1 ZINC000826314577 897495869 /nfs/dbraw/zinc/49/58/69/897495869.db2.gz CNNUFTKCLQVHDZ-SECBINFHSA-N -1 3 377.221 3.645 20 0 GHADHM Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826324259 897597367 /nfs/dbraw/zinc/59/73/67/897597367.db2.gz KCUIGSPXVGTIKY-GFCCVEGCSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826324259 897597377 /nfs/dbraw/zinc/59/73/77/897597377.db2.gz KCUIGSPXVGTIKY-GFCCVEGCSA-N -1 3 388.431 3.630 20 0 GHADHM Cn1cc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCCC2)nc1Cl ZINC001185884505 914176186 /nfs/dbraw/zinc/17/61/86/914176186.db2.gz KUWAVJRCCCOCOG-UHFFFAOYSA-N -1 3 388.320 3.517 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCN2c2ccc(=NCc3ccccc3F)[n-]n2)n[nH]1 ZINC000568372599 897789807 /nfs/dbraw/zinc/78/98/07/897789807.db2.gz ZOLSFWFOXPNWEX-KRWDZBQOSA-N -1 3 395.486 3.623 20 0 GHADHM Cn1cc(-c2nc(CSc3cccc(Cl)c3-c3nnn[n-]3)cs2)cn1 ZINC000826356189 898069143 /nfs/dbraw/zinc/06/91/43/898069143.db2.gz FTVMNNFJOZSSMI-UHFFFAOYSA-N -1 3 389.897 3.669 20 0 GHADHM Cn1cc(-c2nc(CSc3cccc(Cl)c3-c3nn[n-]n3)cs2)cn1 ZINC000826356189 898069150 /nfs/dbraw/zinc/06/91/50/898069150.db2.gz FTVMNNFJOZSSMI-UHFFFAOYSA-N -1 3 389.897 3.669 20 0 GHADHM Cc1c(Cl)c(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)nc2ccccc12 ZINC000822034496 898179277 /nfs/dbraw/zinc/17/92/77/898179277.db2.gz FJYRTYCBCWHCSZ-UHFFFAOYSA-N -1 3 393.834 3.663 20 0 GHADHM Cc1c(Cl)c(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)nc2ccccc12 ZINC000822034496 898179286 /nfs/dbraw/zinc/17/92/86/898179286.db2.gz FJYRTYCBCWHCSZ-UHFFFAOYSA-N -1 3 393.834 3.663 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000826369112 898202657 /nfs/dbraw/zinc/20/26/57/898202657.db2.gz NFVDQRNTBBCJCY-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000826369112 898202670 /nfs/dbraw/zinc/20/26/70/898202670.db2.gz NFVDQRNTBBCJCY-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CCCCNC(=O)C1(NC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC001136535251 898207339 /nfs/dbraw/zinc/20/73/39/898207339.db2.gz OLFAQCYFJMOEEC-UHFFFAOYSA-N -1 3 397.313 3.504 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822929682 898728777 /nfs/dbraw/zinc/72/87/77/898728777.db2.gz WRAVBSIYOZSEBN-SOFGYWHQSA-N -1 3 394.797 3.859 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822929682 898728786 /nfs/dbraw/zinc/72/87/86/898728786.db2.gz WRAVBSIYOZSEBN-SOFGYWHQSA-N -1 3 394.797 3.859 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cc2ccccc2)ccc1O ZINC000822978156 898734891 /nfs/dbraw/zinc/73/48/91/898734891.db2.gz DJKIVUVFZZTXRG-UHFFFAOYSA-N -1 3 399.454 3.734 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2nn[n-]c21)c1ccc2ccccc2c1 ZINC000800207195 898742991 /nfs/dbraw/zinc/74/29/91/898742991.db2.gz PZBMYDSRFBVCPF-KGLIPLIRSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2[n-]nnc21)c1ccc2ccccc2c1 ZINC000800207195 898742996 /nfs/dbraw/zinc/74/29/96/898742996.db2.gz PZBMYDSRFBVCPF-KGLIPLIRSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2n[n-]nc21)c1ccc2ccccc2c1 ZINC000800207195 898743009 /nfs/dbraw/zinc/74/30/09/898743009.db2.gz PZBMYDSRFBVCPF-KGLIPLIRSA-N -1 3 388.427 3.534 20 0 GHADHM CCN(C(=O)[C@@H](C)OC(=O)c1cccc2nn[n-]c21)c1cccc2ccccc21 ZINC000800207694 898743096 /nfs/dbraw/zinc/74/30/96/898743096.db2.gz CRRQFZCBMHJOCJ-CQSZACIVSA-N -1 3 388.427 3.710 20 0 GHADHM CCN(C(=O)[C@@H](C)OC(=O)c1cccc2[n-]nnc21)c1cccc2ccccc21 ZINC000800207694 898743106 /nfs/dbraw/zinc/74/31/06/898743106.db2.gz CRRQFZCBMHJOCJ-CQSZACIVSA-N -1 3 388.427 3.710 20 0 GHADHM CCN(C(=O)[C@@H](C)OC(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC000800207694 898743110 /nfs/dbraw/zinc/74/31/10/898743110.db2.gz CRRQFZCBMHJOCJ-CQSZACIVSA-N -1 3 388.427 3.710 20 0 GHADHM O=C(OCc1ccc(Br)c2cccnc12)c1cccc2nn[n-]c21 ZINC000800208673 898743656 /nfs/dbraw/zinc/74/36/56/898743656.db2.gz LUGXEPWLXMGBRS-UHFFFAOYSA-N -1 3 383.205 3.626 20 0 GHADHM O=C(OCc1ccc(Br)c2cccnc12)c1cccc2[n-]nnc21 ZINC000800208673 898743663 /nfs/dbraw/zinc/74/36/63/898743663.db2.gz LUGXEPWLXMGBRS-UHFFFAOYSA-N -1 3 383.205 3.626 20 0 GHADHM O=C(OCc1ccc(Br)c2cccnc12)c1cccc2n[n-]nc21 ZINC000800208673 898743666 /nfs/dbraw/zinc/74/36/66/898743666.db2.gz LUGXEPWLXMGBRS-UHFFFAOYSA-N -1 3 383.205 3.626 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(-c2ccccc2Cl)s1 ZINC001136654201 898777592 /nfs/dbraw/zinc/77/75/92/898777592.db2.gz YAMIFKRRQGKBHT-LEJCZOIISA-N -1 3 387.892 3.710 20 0 GHADHM O=c1[n-]c([C@H]2CCCN(CC/C=C/c3ccc(Br)cc3)C2)n[nH]1 ZINC000569763468 898933405 /nfs/dbraw/zinc/93/34/05/898933405.db2.gz CZCVWXKFUASKIO-ZJHLSUJBSA-N -1 3 377.286 3.556 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823358587 898982102 /nfs/dbraw/zinc/98/21/02/898982102.db2.gz BHDDDACJBWXESE-UHFFFAOYSA-N -1 3 378.411 3.717 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823358587 898982109 /nfs/dbraw/zinc/98/21/09/898982109.db2.gz BHDDDACJBWXESE-UHFFFAOYSA-N -1 3 378.411 3.717 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCOc1ccccc1C)CC2 ZINC000570456892 899325618 /nfs/dbraw/zinc/32/56/18/899325618.db2.gz QJCYBNIBDDAJLW-IBGZPJMESA-N -1 3 399.487 3.855 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000824053384 899363872 /nfs/dbraw/zinc/36/38/72/899363872.db2.gz XXLYECIHSVYPQD-AWEZNQCLSA-N -1 3 394.431 3.627 20 0 GHADHM C[C@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000824053384 899363879 /nfs/dbraw/zinc/36/38/79/899363879.db2.gz XXLYECIHSVYPQD-AWEZNQCLSA-N -1 3 394.431 3.627 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136829689 899428256 /nfs/dbraw/zinc/42/82/56/899428256.db2.gz ZDCRHKMCUXHANM-ZDUSSCGKSA-N -1 3 376.478 3.736 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C=Cc2cccc(OC3CCCC3)c2)n1 ZINC000824154949 899429469 /nfs/dbraw/zinc/42/94/69/899429469.db2.gz VNLDXDZLVZDXJD-VAWYXSNFSA-N -1 3 381.476 3.877 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC001296291990 914364827 /nfs/dbraw/zinc/36/48/27/914364827.db2.gz YFZQYHNDTHKXDS-UQPYNNQESA-N -1 3 389.258 3.610 20 0 GHADHM C[C@H](NC(=O)CCc1ccccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479885 899625298 /nfs/dbraw/zinc/62/52/98/899625298.db2.gz QQTPPDSNIGUHHY-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](NC(=O)CCc1ccccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479885 899625307 /nfs/dbraw/zinc/62/53/07/899625307.db2.gz QQTPPDSNIGUHHY-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824530636 899662602 /nfs/dbraw/zinc/66/26/02/899662602.db2.gz MLYXJKLNPINXBO-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000824530636 899662606 /nfs/dbraw/zinc/66/26/06/899662606.db2.gz MLYXJKLNPINXBO-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@H](NCc1ncc(Cl)n1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824635203 899729904 /nfs/dbraw/zinc/72/99/04/899729904.db2.gz ZMGKBYINBYLSPD-ZDUSSCGKSA-N -1 3 393.882 3.771 20 0 GHADHM C[C@H](NCc1noc(C2CC2)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824632735 899730504 /nfs/dbraw/zinc/73/05/04/899730504.db2.gz CQRRCHPHKHIPAH-ZDUSSCGKSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@H](NCc1noc(C2CC2)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824632735 899730517 /nfs/dbraw/zinc/73/05/17/899730517.db2.gz CQRRCHPHKHIPAH-ZDUSSCGKSA-N -1 3 387.447 3.645 20 0 GHADHM O=S(=O)([N-]c1cnc2ccccc2c1Cl)c1ccc2nsnc2c1 ZINC001186232765 914375555 /nfs/dbraw/zinc/37/55/55/914375555.db2.gz SQZKVSHONWQOFA-UHFFFAOYSA-N -1 3 376.850 3.694 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826404187 899832287 /nfs/dbraw/zinc/83/22/87/899832287.db2.gz REMHIWOVIKQFDX-UHFFFAOYSA-N -1 3 379.386 3.515 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826404187 899832294 /nfs/dbraw/zinc/83/22/94/899832294.db2.gz REMHIWOVIKQFDX-UHFFFAOYSA-N -1 3 379.386 3.515 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824907264 899872437 /nfs/dbraw/zinc/87/24/37/899872437.db2.gz HNOVPEMNCPLJSC-PBHICJAKSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824907264 899872449 /nfs/dbraw/zinc/87/24/49/899872449.db2.gz HNOVPEMNCPLJSC-PBHICJAKSA-N -1 3 377.448 3.820 20 0 GHADHM CC=C(C=CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)CC ZINC000825028031 899944033 /nfs/dbraw/zinc/94/40/33/899944033.db2.gz DBJUSLPPGZKURP-NBKHWYKPSA-N -1 3 383.843 3.557 20 0 GHADHM CC=C(C=CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)CC ZINC000825028031 899944037 /nfs/dbraw/zinc/94/40/37/899944037.db2.gz DBJUSLPPGZKURP-NBKHWYKPSA-N -1 3 383.843 3.557 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)c1 ZINC000571949403 900016489 /nfs/dbraw/zinc/01/64/89/900016489.db2.gz LCZKUJBYXUJTHU-UXHICEINSA-N -1 3 382.460 3.669 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000825225275 900035183 /nfs/dbraw/zinc/03/51/83/900035183.db2.gz QWDQNBDZBVXAHQ-UHFFFAOYSA-N -1 3 385.859 3.574 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000825225275 900035192 /nfs/dbraw/zinc/03/51/92/900035192.db2.gz QWDQNBDZBVXAHQ-UHFFFAOYSA-N -1 3 385.859 3.574 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)c2cccc(Cl)c2O1 ZINC000825200333 900042371 /nfs/dbraw/zinc/04/23/71/900042371.db2.gz ALTWABZOEQGQBN-CYBMUJFWSA-N -1 3 383.839 3.646 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)c2cccc(Cl)c2O1 ZINC000825200333 900042383 /nfs/dbraw/zinc/04/23/83/900042383.db2.gz ALTWABZOEQGQBN-CYBMUJFWSA-N -1 3 383.839 3.646 20 0 GHADHM Brc1ccc(OCc2ccccc2)c(-c2noc(-c3cnn[n-]3)n2)c1 ZINC001212800271 900093885 /nfs/dbraw/zinc/09/38/85/900093885.db2.gz ZXQGMWNWBILTHV-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccc(OCc2ccccc2)c(-c2noc(-c3c[n-]nn3)n2)c1 ZINC001212800271 900093897 /nfs/dbraw/zinc/09/38/97/900093897.db2.gz ZXQGMWNWBILTHV-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CCN(C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000825376662 900133104 /nfs/dbraw/zinc/13/31/04/900133104.db2.gz KRJYCFHVKBXDTF-CQSZACIVSA-N -1 3 376.464 3.789 20 0 GHADHM CCN(C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000825376662 900133112 /nfs/dbraw/zinc/13/31/12/900133112.db2.gz KRJYCFHVKBXDTF-CQSZACIVSA-N -1 3 376.464 3.789 20 0 GHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000572371080 900160083 /nfs/dbraw/zinc/16/00/83/900160083.db2.gz MHFFSYDDZMURMY-KRWDZBQOSA-N -1 3 383.370 3.688 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c1[O-] ZINC000843885303 900289017 /nfs/dbraw/zinc/28/90/17/900289017.db2.gz GRRUNRNHCCEMKI-UHFFFAOYSA-N -1 3 391.449 3.959 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000843886150 900290021 /nfs/dbraw/zinc/29/00/21/900290021.db2.gz MBMZGQMRAJJKAA-HXUWFJFHSA-N -1 3 376.453 3.571 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(F)cc1-c1ccc(F)cc1 ZINC000573028371 900347711 /nfs/dbraw/zinc/34/77/11/900347711.db2.gz ALMJRTPVMHLPQZ-UHFFFAOYSA-N -1 3 395.349 3.952 20 0 GHADHM CC(C)CNC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660679 900383451 /nfs/dbraw/zinc/38/34/51/900383451.db2.gz JTUBSHWRVJLYRF-NSHDSACASA-N -1 3 391.518 3.811 20 0 GHADHM O=C([N-]c1c(F)cccc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000045829377 900458896 /nfs/dbraw/zinc/45/88/96/900458896.db2.gz MMRLAVARNACBDN-UHFFFAOYSA-N -1 3 377.368 3.784 20 0 GHADHM CCCCc1ncc(CN2C[C@H](CO)CC[C@H]2C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143749099 900475463 /nfs/dbraw/zinc/47/54/63/900475463.db2.gz ZPCHRYRHWWUIMI-IEBWSBKVSA-N -1 3 399.535 3.565 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCSC[C@H]1CC(=O)[O-] ZINC000573379981 900484965 /nfs/dbraw/zinc/48/49/65/900484965.db2.gz ZMFRUBNTRXEHEI-QGZVFWFLSA-N -1 3 393.940 3.594 20 0 GHADHM Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c([O-])c1 ZINC000844168984 900562060 /nfs/dbraw/zinc/56/20/60/900562060.db2.gz JCSAXCNTUPNILM-UHFFFAOYSA-N -1 3 397.866 3.865 20 0 GHADHM O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc2sccc2c([O-])c1 ZINC001137219321 900594546 /nfs/dbraw/zinc/59/45/46/900594546.db2.gz BIYSSCSFHSRFBK-SFHVURJKSA-N -1 3 394.496 3.570 20 0 GHADHM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000844242547 900638195 /nfs/dbraw/zinc/63/81/95/900638195.db2.gz DUUCSKJAHVDEFI-HKBOAZHASA-N -1 3 386.536 3.781 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCCCS1 ZINC000826457034 900648335 /nfs/dbraw/zinc/64/83/35/900648335.db2.gz JMUPWHCOAFMLHX-SFHVURJKSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1CCCCS1 ZINC000826457034 900648351 /nfs/dbraw/zinc/64/83/51/900648351.db2.gz JMUPWHCOAFMLHX-SFHVURJKSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1ccccc1NCC1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826457437 900657533 /nfs/dbraw/zinc/65/75/33/900657533.db2.gz BCFKGBDLHKVRHR-UHFFFAOYSA-N -1 3 377.452 3.506 20 0 GHADHM O=C(Nc1ccccc1NCC1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826457437 900657541 /nfs/dbraw/zinc/65/75/41/900657541.db2.gz BCFKGBDLHKVRHR-UHFFFAOYSA-N -1 3 377.452 3.506 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)c1 ZINC001143895479 900726302 /nfs/dbraw/zinc/72/63/02/900726302.db2.gz WKVGCCXLJIVDKF-HXUWFJFHSA-N -1 3 381.472 3.921 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC001186314352 914466517 /nfs/dbraw/zinc/46/65/17/914466517.db2.gz STMVSNUOVLRJOK-HNNXBMFYSA-N -1 3 380.514 3.574 20 0 GHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)C2CC2)no1 ZINC000574509371 900915046 /nfs/dbraw/zinc/91/50/46/900915046.db2.gz VWXICBPPUNZZTJ-GOSISDBHSA-N -1 3 391.518 3.813 20 0 GHADHM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(OC)cc1C(F)(F)F ZINC000574601521 900942537 /nfs/dbraw/zinc/94/25/37/900942537.db2.gz YZLREROGAAJCMM-UHFFFAOYSA-N -1 3 389.395 3.802 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1c(F)cccc1OC(F)(F)F ZINC000574779606 901010359 /nfs/dbraw/zinc/01/03/59/901010359.db2.gz DIFWHOZBMBXIGQ-UHFFFAOYSA-N -1 3 396.387 3.537 20 0 GHADHM O=c1[n-]c(CN[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)nc2c1COCC2 ZINC000886649813 901208058 /nfs/dbraw/zinc/20/80/58/901208058.db2.gz JKVSDDCTMPXKBR-MRXNPFEDSA-N -1 3 384.867 3.557 20 0 GHADHM c1cncc(Oc2cccc(OCCOc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826525918 901389165 /nfs/dbraw/zinc/38/91/65/901389165.db2.gz DSVMBROZKVHBIN-UHFFFAOYSA-N -1 3 375.388 3.512 20 0 GHADHM c1cncc(Oc2cccc(OCCOc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826525918 901389175 /nfs/dbraw/zinc/38/91/75/901389175.db2.gz DSVMBROZKVHBIN-UHFFFAOYSA-N -1 3 375.388 3.512 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(Br)n1 ZINC000140038039 901446912 /nfs/dbraw/zinc/44/69/12/901446912.db2.gz GNKOLJBAVZMHRQ-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cn1C ZINC000575901388 901450771 /nfs/dbraw/zinc/45/07/71/901450771.db2.gz JIKJUTFFPVZSGE-UHFFFAOYSA-N -1 3 392.811 3.594 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 ZINC000575963091 901529770 /nfs/dbraw/zinc/52/97/70/901529770.db2.gz BEPMEKFNSVTKMR-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC4(CCC4)CO3)cc2)cc(=O)[n-]1 ZINC000887243694 901624501 /nfs/dbraw/zinc/62/45/01/901624501.db2.gz WZIFJFNBRLXARR-KRWDZBQOSA-N -1 3 382.464 3.628 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)c1ccc(Br)c(C)c1 ZINC000576196739 901792875 /nfs/dbraw/zinc/79/28/75/901792875.db2.gz BQKIBSVEKWFJPP-UHFFFAOYSA-N -1 3 387.299 3.576 20 0 GHADHM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000576282012 901910929 /nfs/dbraw/zinc/91/09/29/901910929.db2.gz RBNKRHNRZFEUSX-GJZGRUSLSA-N -1 3 394.443 3.637 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2cccc3ccsc32)C1)C(F)(F)F ZINC000845300595 902056941 /nfs/dbraw/zinc/05/69/41/902056941.db2.gz KNHDCEPKCBXCLW-LBPRGKRZSA-N -1 3 399.438 3.501 20 0 GHADHM O=S(=O)([N-]c1ccnc(F)c1Br)c1csc2ccccc21 ZINC001186464408 914592130 /nfs/dbraw/zinc/59/21/30/914592130.db2.gz SLARNLZJOWXQFJ-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM COc1ccnc(Br)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186464616 914593450 /nfs/dbraw/zinc/59/34/50/914593450.db2.gz ZRPASIWCDUIIJV-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c(F)c1F ZINC001186508013 914598744 /nfs/dbraw/zinc/59/87/44/914598744.db2.gz OMASHGNDXFSOAN-UHFFFAOYSA-N -1 3 386.489 3.520 20 0 GHADHM COc1nc(NC(=O)c2sc3cc(Br)ccc3c2Cl)n[n-]1 ZINC000778956130 902177505 /nfs/dbraw/zinc/17/75/05/902177505.db2.gz IBYIIVBODPYBIO-UHFFFAOYSA-N -1 3 387.646 3.696 20 0 GHADHM COc1n[n-]c(NC(=O)c2sc3cc(Br)ccc3c2Cl)n1 ZINC000778956130 902177513 /nfs/dbraw/zinc/17/75/13/902177513.db2.gz IBYIIVBODPYBIO-UHFFFAOYSA-N -1 3 387.646 3.696 20 0 GHADHM [O-]c1cc(F)c(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)c(F)c1 ZINC001144544834 902326925 /nfs/dbraw/zinc/32/69/25/902326925.db2.gz IZNXGZJFHCQADZ-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)on1 ZINC000576895657 902341099 /nfs/dbraw/zinc/34/10/99/902341099.db2.gz PDFGKKFVQHUKKX-UHFFFAOYSA-N -1 3 376.478 3.576 20 0 GHADHM Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(Cc3c(F)cc([O-])cc3F)C[C@H]21 ZINC001144553649 902368839 /nfs/dbraw/zinc/36/88/39/902368839.db2.gz LEICIPKNBJVHEV-ZBFHGGJFSA-N -1 3 381.426 3.843 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3cc(F)c([O-])cc3F)C1)C2 ZINC001144659909 902611118 /nfs/dbraw/zinc/61/11/18/902611118.db2.gz QOIUAZQCOMMXGM-OPAMFIHVSA-N -1 3 387.426 3.766 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000846244773 902820291 /nfs/dbraw/zinc/82/02/91/902820291.db2.gz VNBZLANKVDFAPA-WUQYLLKWSA-N -1 3 395.455 3.772 20 0 GHADHM O=C(NCc1n[nH]cc1Br)c1cc(Oc2ccccc2)ccc1[O-] ZINC001144763213 902831207 /nfs/dbraw/zinc/83/12/07/902831207.db2.gz PSOPMQBSIXHDAA-UHFFFAOYSA-N -1 3 388.221 3.600 20 0 GHADHM O=C(NCC1(OCCO)CCC(C(F)F)CC1)c1cc2sccc2c([O-])c1 ZINC000887560936 902882818 /nfs/dbraw/zinc/88/28/18/902882818.db2.gz MGUUMFWOPHXGMU-UHFFFAOYSA-N -1 3 399.459 3.540 20 0 GHADHM CCc1cccc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000846589360 903068079 /nfs/dbraw/zinc/06/80/79/903068079.db2.gz LBGJHDIWJBIIAK-UHFFFAOYSA-N -1 3 376.497 3.722 20 0 GHADHM O=S(=O)([N-]c1ccnnc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC001186634887 914697040 /nfs/dbraw/zinc/69/70/40/914697040.db2.gz HNUKYXRSPJJKBH-UHFFFAOYSA-N -1 3 375.837 3.510 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC001147217415 903736599 /nfs/dbraw/zinc/73/65/99/903736599.db2.gz IMIKJWQDEZLSAI-HXPMCKFVSA-N -1 3 388.851 3.676 20 0 GHADHM COC(=O)C12CCC(C(=O)Nc3ccc(Br)cc3[O-])(CC1)CC2 ZINC000578419215 903826615 /nfs/dbraw/zinc/82/66/15/903826615.db2.gz IBLVXBXXCGWHJR-UHFFFAOYSA-N -1 3 382.254 3.607 20 0 GHADHM CCOCCOCc1cccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646677485 914767198 /nfs/dbraw/zinc/76/71/98/914767198.db2.gz YZYFNSAKOMSVHZ-UHFFFAOYSA-N -1 3 397.393 3.894 20 0 GHADHM O=C([N-]c1c(Cl)cnnc1Cl)c1nc(Cl)ccc1Br ZINC001148019003 903942261 /nfs/dbraw/zinc/94/22/61/903942261.db2.gz WEDSOSNBSXGAGG-UHFFFAOYSA-N -1 3 382.432 3.847 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccc(-n2cccn2)c1 ZINC001148070212 903960764 /nfs/dbraw/zinc/96/07/64/903960764.db2.gz VWALPXTXVCPKSN-GFCCVEGCSA-N -1 3 386.249 3.831 20 0 GHADHM O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646692465 914778007 /nfs/dbraw/zinc/77/80/07/914778007.db2.gz WIUHIEWUFNFFDG-UHFFFAOYSA-N -1 3 390.374 3.912 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)n(C)nc3C(C)C)c2)n1 ZINC000151339149 904108035 /nfs/dbraw/zinc/10/80/35/904108035.db2.gz YOQKCFDOAGGDKX-UHFFFAOYSA-N -1 3 399.882 3.762 20 0 GHADHM CC(=O)c1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)N(C)C)ccc1[O-] ZINC001148668391 904165279 /nfs/dbraw/zinc/16/52/79/904165279.db2.gz CFUXPQMQPBYTIM-KRWDZBQOSA-N -1 3 395.286 3.934 20 0 GHADHM O=S(=O)([N-]c1cc(F)ncc1F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186764646 914791177 /nfs/dbraw/zinc/79/11/77/914791177.db2.gz DCQUAEBMDDFAKA-UHFFFAOYSA-N -1 3 388.701 3.713 20 0 GHADHM O=S(=O)([N-]C1(C(F)(F)F)CC1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186796928 914811154 /nfs/dbraw/zinc/81/11/54/914811154.db2.gz KREQWJCBKUPMOD-UHFFFAOYSA-N -1 3 383.697 3.612 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000579553636 904697762 /nfs/dbraw/zinc/69/77/62/904697762.db2.gz AHGPXUCSKKPXSV-PMACEKPBSA-N -1 3 392.499 3.697 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@]3(C)CCCCO3)cc2)cc1 ZINC000579561722 904706250 /nfs/dbraw/zinc/70/62/50/904706250.db2.gz DLIAIFBFAFDLJP-HXUWFJFHSA-N -1 3 388.489 3.694 20 0 GHADHM Cc1nc(C)c(CC(=O)Oc2ccccc2-c2nc3ccccc3s2)c(=O)[n-]1 ZINC000049361126 904762702 /nfs/dbraw/zinc/76/27/02/904762702.db2.gz YSNHSMGMDOXLEK-UHFFFAOYSA-N -1 3 391.452 3.812 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCSC[C@@H]1c1nccs1 ZINC000626495968 905066505 /nfs/dbraw/zinc/06/65/05/905066505.db2.gz XUIVYZDSYZEWJW-GFCCVEGCSA-N -1 3 385.308 3.542 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC4CCCC4)cc3)ccc2N1 ZINC001186927820 914875955 /nfs/dbraw/zinc/87/59/55/914875955.db2.gz ONARINSBLJJLSC-UHFFFAOYSA-N -1 3 386.473 3.551 20 0 GHADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171914647 905145033 /nfs/dbraw/zinc/14/50/33/905145033.db2.gz HKNXVJNZLGPONJ-CTASWTNQSA-N -1 3 380.410 3.622 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000173870562 905151797 /nfs/dbraw/zinc/15/17/97/905151797.db2.gz TUZGFYAIGAVFGO-LJQANCHMSA-N -1 3 385.508 3.622 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000627319328 905530930 /nfs/dbraw/zinc/53/09/30/905530930.db2.gz PRYOESSJPLZAMQ-INIZCTEOSA-N -1 3 381.350 3.813 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000175769154 905662596 /nfs/dbraw/zinc/66/25/96/905662596.db2.gz LUJUFWKXLGMXEP-XJKSGUPXSA-N -1 3 394.899 3.570 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000175766942 905662699 /nfs/dbraw/zinc/66/26/99/905662699.db2.gz IYZIQDCZFIZHSY-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000176628859 905899348 /nfs/dbraw/zinc/89/93/48/905899348.db2.gz PCDPCDGBFLXXAK-UHFFFAOYSA-N -1 3 388.851 3.545 20 0 GHADHM CN(c1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000628134807 905977370 /nfs/dbraw/zinc/97/73/70/905977370.db2.gz CVTWKDMBOQPQEX-INIZCTEOSA-N -1 3 375.266 3.506 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000299153682 921226786 /nfs/dbraw/zinc/22/67/86/921226786.db2.gz ZFQGCGPIKKAISL-UHFFFAOYSA-N -1 3 394.450 3.671 20 0 GHADHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1)C1CC1 ZINC000629289234 906677095 /nfs/dbraw/zinc/67/70/95/906677095.db2.gz FBMWRRRPOLQEFM-LJQANCHMSA-N -1 3 394.537 3.762 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(Cc1cccs1)C1CC1 ZINC000299267476 921274555 /nfs/dbraw/zinc/27/45/55/921274555.db2.gz YUSNGNPTBPZQSX-UHFFFAOYSA-N -1 3 394.500 3.738 20 0 GHADHM O=S(=O)(c1cccc(Nc2cccc([O-])c2Br)c1)N1CCCC1 ZINC001174317703 906981144 /nfs/dbraw/zinc/98/11/44/906981144.db2.gz DHWALWFTDCYXLX-UHFFFAOYSA-N -1 3 397.294 3.683 20 0 GHADHM CCc1c(NC(=O)NN=c2nc(C)cc(C)[n-]2)cnn1-c1ccccc1Cl ZINC000191553025 907069708 /nfs/dbraw/zinc/06/97/08/907069708.db2.gz XOEYJPCZTCHYHE-UHFFFAOYSA-N -1 3 385.859 3.644 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)N[N-]C(=O)c1cc(Cl)sc1Cl ZINC000191609100 907106770 /nfs/dbraw/zinc/10/67/70/907106770.db2.gz ADLPNZOQKFLSEJ-UHFFFAOYSA-N -1 3 378.668 3.853 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCCCC1 ZINC000630471419 907298420 /nfs/dbraw/zinc/29/84/20/907298420.db2.gz BPMMTPKHLPEUQM-AWEZNQCLSA-N -1 3 394.878 3.821 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000183047586 907318195 /nfs/dbraw/zinc/31/81/95/907318195.db2.gz XCBXIPNPOMKXRS-UHFFFAOYSA-N -1 3 378.394 3.546 20 0 GHADHM CCc1nc(=N)n(-c2c(F)ccc([O-])c2F)c(N)c1-c1ccc(Cl)cc1 ZINC001175263341 907474212 /nfs/dbraw/zinc/47/42/12/907474212.db2.gz STFCEJAFOMCXAK-UHFFFAOYSA-N -1 3 376.794 3.801 20 0 GHADHM [O-]c1ccc(F)c(Nc2cc(I)c3nccn3c2)c1F ZINC001175263638 907474704 /nfs/dbraw/zinc/47/47/04/907474704.db2.gz NXFTWWLLPSYYRF-UHFFFAOYSA-N -1 3 387.127 3.666 20 0 GHADHM COc1ncc([N-]c2nc3c(s2)C[C@H](NC(=O)OC(C)(C)C)CC3)s1 ZINC001175387134 907531569 /nfs/dbraw/zinc/53/15/69/907531569.db2.gz MVMORZBYGMTYGQ-SECBINFHSA-N -1 3 382.511 3.734 20 0 GHADHM Brc1cnc(Br)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175425262 907544618 /nfs/dbraw/zinc/54/46/18/907544618.db2.gz PNVVSLKNQSQGCK-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](c4ccncc4)C3)cc2)cc(=O)[n-]1 ZINC000631472018 907723539 /nfs/dbraw/zinc/72/35/39/907723539.db2.gz JESRQGBBBGCGAI-GOSISDBHSA-N -1 3 389.459 3.964 20 0 GHADHM CON1CCC(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000632027933 907899752 /nfs/dbraw/zinc/89/97/52/907899752.db2.gz SATRRNQCGKTQGG-UHFFFAOYSA-N -1 3 383.473 3.881 20 0 GHADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(OC)c([O-])c(OC)c1)CCC2 ZINC000186871710 907999255 /nfs/dbraw/zinc/99/92/55/907999255.db2.gz VMXGGISAMGGQQJ-CYBMUJFWSA-N -1 3 376.478 3.578 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1nc(Br)ccc1Br ZINC000189829913 908379400 /nfs/dbraw/zinc/37/94/00/908379400.db2.gz CKWPOPKPEZTWHI-UHFFFAOYSA-N -1 3 389.047 3.718 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1nc2cnccc2s1 ZINC001177559127 908642805 /nfs/dbraw/zinc/64/28/05/908642805.db2.gz BBVGJSQMWFWJAE-UHFFFAOYSA-N -1 3 383.807 3.762 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c3ccccc3nc(C)c2C(C)C)c(=O)[n-]1 ZINC000191956316 908699709 /nfs/dbraw/zinc/69/97/09/908699709.db2.gz VOMXUDYDZPQLMR-UHFFFAOYSA-N -1 3 378.476 3.938 20 0 GHADHM COc1ccc(NCc2cc3nc(Cl)ccc3s2)cc1[N-]S(C)(=O)=O ZINC001178041666 908882776 /nfs/dbraw/zinc/88/27/76/908882776.db2.gz AOSHNWZTRYKGGL-UHFFFAOYSA-N -1 3 397.909 3.942 20 0 GHADHM COc1ccc(NCc2ccsc2Br)cc1[N-]S(C)(=O)=O ZINC001178042431 908882809 /nfs/dbraw/zinc/88/28/09/908882809.db2.gz TYMJXIOQNDFSFO-UHFFFAOYSA-N -1 3 391.312 3.503 20 0 GHADHM CCOC(=O)[C@](C)(CNC(=O)c1cc([O-])cc(Br)c1)CC(C)C ZINC001178574923 909129314 /nfs/dbraw/zinc/12/93/14/909129314.db2.gz CGOFONXEVNVKEV-KRWDZBQOSA-N -1 3 386.286 3.500 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([O-])c1 ZINC000267188893 909412317 /nfs/dbraw/zinc/41/23/17/909412317.db2.gz OXPSJTASXWEWPC-UHFFFAOYSA-N -1 3 382.460 3.712 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)on1 ZINC000267256429 909429518 /nfs/dbraw/zinc/42/95/18/909429518.db2.gz VTKBYBFSHFKKRM-UHFFFAOYSA-N -1 3 399.900 3.669 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1COc1ccccc1 ZINC000636318251 909535659 /nfs/dbraw/zinc/53/56/59/909535659.db2.gz RPYMNRXSKGCUSK-UHFFFAOYSA-N -1 3 389.455 3.959 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317643 909536266 /nfs/dbraw/zinc/53/62/66/909536266.db2.gz IMMBEUCEXDDMBS-UHFFFAOYSA-N -1 3 375.856 3.577 20 0 GHADHM COc1ccc(CCCCCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636318613 909537390 /nfs/dbraw/zinc/53/73/90/909537390.db2.gz AXDLSONOVHFXPU-UHFFFAOYSA-N -1 3 383.492 3.878 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318821 909538113 /nfs/dbraw/zinc/53/81/13/909538113.db2.gz GFTVPEHWZQPVKA-MRXNPFEDSA-N -1 3 381.476 3.585 20 0 GHADHM COc1ccc(-c2nc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cs2)cc1 ZINC000636318401 909538214 /nfs/dbraw/zinc/53/82/14/909538214.db2.gz UMWNBRXQUGKKLB-UHFFFAOYSA-N -1 3 396.472 3.512 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cnn(-c2ccccc2)c1C(F)F ZINC000636358636 909561677 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GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c(C(C)C)n1 ZINC001179955514 909866862 /nfs/dbraw/zinc/86/68/62/909866862.db2.gz WKQVNNAQUJXJQX-UHFFFAOYSA-N -1 3 378.432 3.846 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c(C(C)C)n1 ZINC001179955514 909866870 /nfs/dbraw/zinc/86/68/70/909866870.db2.gz WKQVNNAQUJXJQX-UHFFFAOYSA-N -1 3 378.432 3.846 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268981335 910091628 /nfs/dbraw/zinc/09/16/28/910091628.db2.gz JESMAXDUVSYXJL-DNVCBOLYSA-N -1 3 382.508 3.912 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3ccc([O-])c(F)c3)cc2C1 ZINC001180326354 910100141 /nfs/dbraw/zinc/10/01/41/910100141.db2.gz KIDRUSDNFADXKQ-OAHLLOKOSA-N -1 3 387.455 3.920 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCSC(C)(C)C)cc1OC ZINC000269886954 910377673 /nfs/dbraw/zinc/37/76/73/910377673.db2.gz AUYMJDOYUGDSRB-UHFFFAOYSA-N -1 3 388.555 3.707 20 0 GHADHM N=c1[n-]nc([C@@H]2CCCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C2)o1 ZINC000639820312 910692100 /nfs/dbraw/zinc/69/21/00/910692100.db2.gz GUMRCSZXGXYUIG-QGZVFWFLSA-N -1 3 382.439 3.580 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c1 ZINC001181463918 910776978 /nfs/dbraw/zinc/77/69/78/910776978.db2.gz FKCNLQBTRMEIGM-SFHVURJKSA-N -1 3 389.455 3.502 20 0 GHADHM O=c1nc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000640101274 910828158 /nfs/dbraw/zinc/82/81/58/910828158.db2.gz ZSHSWTMSOWUVQW-YUELXQCFSA-N -1 3 385.489 3.782 20 0 GHADHM COc1ccc(Cl)cc1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292367 910955088 /nfs/dbraw/zinc/95/50/88/910955088.db2.gz KGPJQUFNTCONLB-UHFFFAOYSA-N -1 3 397.184 3.504 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 ZINC000640296826 910958743 /nfs/dbraw/zinc/95/87/43/910958743.db2.gz FDFJWKONLGCROO-GFCCVEGCSA-N -1 3 387.793 3.531 20 0 GHADHM COc1ccc([C@H](NCc2ccc(N(C)C(C)C)nc2)C(=O)[O-])cc1Cl ZINC000901853397 921643155 /nfs/dbraw/zinc/64/31/55/921643155.db2.gz VHMRQXRTSAMUHI-SFHVURJKSA-N -1 3 377.872 3.504 20 0 GHADHM COc1c(F)cc(-c2noc(-c3cnc(-c4ccccc4)[n-]c3=O)n2)cc1F ZINC001212894999 911407875 /nfs/dbraw/zinc/40/78/75/911407875.db2.gz FYPRWMMNTOPMCG-UHFFFAOYSA-N -1 3 382.326 3.853 20 0 GHADHM O=c1cc(CN=c2[nH]c3cccc(OC(F)F)c3s2)nc(C2CCC2)[n-]1 ZINC000641681570 911480610 /nfs/dbraw/zinc/48/06/10/911480610.db2.gz OVXYXKULLUWCBT-UHFFFAOYSA-N -1 3 378.404 3.695 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(F)c2)c2ccncc12)c1cc(=O)[n-]cn1 ZINC001182569636 911875156 /nfs/dbraw/zinc/87/51/56/911875156.db2.gz RGYBASSPRIJDOX-UHFFFAOYSA-N -1 3 376.347 3.914 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cc(Cl)ccc2OCC)n[n-]1 ZINC001182653628 911954730 /nfs/dbraw/zinc/95/47/30/911954730.db2.gz JRTFIJHYIVHZHY-OAHLLOKOSA-N -1 3 394.903 3.911 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cc(Cl)ccc2OCC)[n-]1 ZINC001182653628 911954743 /nfs/dbraw/zinc/95/47/43/911954743.db2.gz JRTFIJHYIVHZHY-OAHLLOKOSA-N -1 3 394.903 3.911 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cc(Cl)ccc2OCC)n1 ZINC001182653628 911954760 /nfs/dbraw/zinc/95/47/60/911954760.db2.gz JRTFIJHYIVHZHY-OAHLLOKOSA-N -1 3 394.903 3.911 20 0 GHADHM COc1sc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1Br ZINC000901893761 921706631 /nfs/dbraw/zinc/70/66/31/921706631.db2.gz GUGQPBBAJKAICM-KGLIPLIRSA-N -1 3 396.306 3.819 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cn(Cc2ccccc2)c2ccccc12 ZINC001182968519 912157427 /nfs/dbraw/zinc/15/74/27/912157427.db2.gz QQMJGVSWOAXMAU-UHFFFAOYSA-N -1 3 399.450 3.764 20 0 GHADHM O=C(Nc1n[n-]c(SCCO)n1)c1csc(-c2ccc(Cl)cc2)c1 ZINC001182931777 912164079 /nfs/dbraw/zinc/16/40/79/912164079.db2.gz UYYCSNZUMQUXTP-UHFFFAOYSA-N -1 3 380.882 3.523 20 0 GHADHM COc1cc(Br)c(COc2ccc3c([O-])coc3c2)cc1OC ZINC000642609016 912211465 /nfs/dbraw/zinc/21/14/65/912211465.db2.gz YKLZPMQZJZDEMZ-UHFFFAOYSA-N -1 3 379.206 3.620 20 0 GHADHM O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646874736 914899575 /nfs/dbraw/zinc/89/95/75/914899575.db2.gz WTMZWJBLTPDMMI-UHFFFAOYSA-N -1 3 379.338 3.583 20 0 GHADHM CC(C)Oc1cc(NC(=O)c2ccccc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC001187006538 914936276 /nfs/dbraw/zinc/93/62/76/914936276.db2.gz ARWIGSXJLITQFW-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM CC(C)Oc1cc(NC(=O)c2ccccc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001187006538 914936287 /nfs/dbraw/zinc/93/62/87/914936287.db2.gz ARWIGSXJLITQFW-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC001187011627 914940569 /nfs/dbraw/zinc/94/05/69/914940569.db2.gz NFARJPBZFFJROK-UHFFFAOYSA-N -1 3 387.274 3.845 20 0 GHADHM C[C@H](c1ccsc1)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000646958696 914951013 /nfs/dbraw/zinc/95/10/13/914951013.db2.gz BVWSJHIVYOXELY-GFCCVEGCSA-N -1 3 384.423 3.992 20 0 GHADHM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901932366 921743152 /nfs/dbraw/zinc/74/31/52/921743152.db2.gz ZSZCQBIZJHJUDP-BLLLJJGKSA-N -1 3 380.897 3.823 20 0 GHADHM Cc1cc(N2Cc3nc(C)[n-]c(=O)c3C2)nc(-c2ccc(Br)cc2)n1 ZINC001187216019 915125354 /nfs/dbraw/zinc/12/53/54/915125354.db2.gz PRKYHVJQXZFGNT-UHFFFAOYSA-N -1 3 398.264 3.539 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2Cl)c(F)c1F ZINC001187250198 915161028 /nfs/dbraw/zinc/16/10/28/915161028.db2.gz XZNWNHPOULIGBO-GFCCVEGCSA-N -1 3 396.242 3.592 20 0 GHADHM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000414022032 915195673 /nfs/dbraw/zinc/19/56/73/915195673.db2.gz QIEHZRHUOOGYOM-CQSZACIVSA-N -1 3 398.459 3.617 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1F ZINC001187463525 915273774 /nfs/dbraw/zinc/27/37/74/915273774.db2.gz DGCCMDWAJCVSFZ-UHFFFAOYSA-N -1 3 381.425 3.587 20 0 GHADHM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2ccc3c(c2)COC(=O)N3)cc1C ZINC000901940136 921760970 /nfs/dbraw/zinc/76/09/70/921760970.db2.gz WOGPBRKMDIGTCZ-UHFFFAOYSA-N -1 3 390.461 3.990 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)ccc1F ZINC000303934578 915327649 /nfs/dbraw/zinc/32/76/49/915327649.db2.gz WCDYFOSTMWJOCS-UHFFFAOYSA-N -1 3 384.517 3.601 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cnccc2-c2ccccc2)c([O-])c1 ZINC000647621572 915341861 /nfs/dbraw/zinc/34/18/61/915341861.db2.gz OTEAWAVXSDBZTP-UHFFFAOYSA-N -1 3 375.428 3.521 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)Nc1ccc(I)cc1[O-] ZINC001187580229 915373427 /nfs/dbraw/zinc/37/34/27/915373427.db2.gz QJWVBFDBOZPYFM-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1 ZINC001187608146 915379456 /nfs/dbraw/zinc/37/94/56/915379456.db2.gz ARLCVFQJYWOXTQ-UHFFFAOYSA-N -1 3 398.419 3.876 20 0 GHADHM Cc1c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])nnn1Cc1ccncc1 ZINC000647828020 915401997 /nfs/dbraw/zinc/40/19/97/915401997.db2.gz CBYDOYNPBUNAEF-UHFFFAOYSA-N -1 3 399.454 3.579 20 0 GHADHM O=S(=O)(CCc1cccc2ccccc21)[N-]c1c(CO)ccc(F)c1F ZINC001187647708 915446384 /nfs/dbraw/zinc/44/63/84/915446384.db2.gz XJDDXWFDYGDIIM-UHFFFAOYSA-N -1 3 377.412 3.595 20 0 GHADHM O=C([O-])[C@]12C[C@H]1C[C@H](NCc1csc(-c3cccc(Br)c3)n1)C2 ZINC000901955609 921771987 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GHADHM C[C@H]([N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl)c1cnn(C)c1 ZINC001188193918 915804156 /nfs/dbraw/zinc/80/41/56/915804156.db2.gz LFHYAKRBZKJCJX-JTQLQIEISA-N -1 3 396.900 3.552 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c3oc(C(C)(C)C)nc3ccc2Cl)cn1 ZINC001188197846 915807267 /nfs/dbraw/zinc/80/72/67/915807267.db2.gz VSCCETWYBSSVSJ-UHFFFAOYSA-N -1 3 393.896 3.961 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000902007475 921808192 /nfs/dbraw/zinc/80/81/92/921808192.db2.gz KQCKPPCPFZERLK-HEHGZKQESA-N -1 3 398.297 3.542 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 ZINC000649140590 916037296 /nfs/dbraw/zinc/03/72/96/916037296.db2.gz ZSXLNIHPPWLHBG-LJQANCHMSA-N -1 3 395.459 3.758 20 0 GHADHM O=S(=O)([N-]c1cc2ccccc2cc1I)c1ccoc1 ZINC001188608161 916054327 /nfs/dbraw/zinc/05/43/27/916054327.db2.gz RUXZZCIZSABXFQ-UHFFFAOYSA-N -1 3 399.209 3.838 20 0 GHADHM Cc1noc(C)c1CO[C@H]1CCN(c2c(C(=O)[O-])cnc3c(C)c(C)ccc32)C1 ZINC000649393934 916136645 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20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC001189141959 916425743 /nfs/dbraw/zinc/42/57/43/916425743.db2.gz WJBBKQRVPSTDJF-UHFFFAOYSA-N -1 3 389.702 3.969 20 0 GHADHM O=c1cc[nH]c(Cl)c1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001189143804 916427682 /nfs/dbraw/zinc/42/76/82/916427682.db2.gz YGBSESPLYNSRGX-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(F)(F)F)c1 ZINC001189248961 916496109 /nfs/dbraw/zinc/49/61/09/916496109.db2.gz ZVEGEIFCFXSJJW-OAHLLOKOSA-N -1 3 375.343 3.610 20 0 GHADHM CC(=O)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1C ZINC001189410697 916616240 /nfs/dbraw/zinc/61/62/40/916616240.db2.gz KSCBIMZOEMTZDT-UHFFFAOYSA-N -1 3 385.416 3.834 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000294193201 916641473 /nfs/dbraw/zinc/64/14/73/916641473.db2.gz NMOXBADTSZECSW-XIKOKIGWSA-N -1 3 390.842 3.667 20 0 GHADHM CCOC[C@H](C)[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001189457626 916664385 /nfs/dbraw/zinc/66/43/85/916664385.db2.gz YAGDVDCCKWWMCQ-JTQLQIEISA-N -1 3 394.440 3.532 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-][C@@H](Cc1ccccc1)c1nccs1 ZINC001189481256 916703647 /nfs/dbraw/zinc/70/36/47/916703647.db2.gz BEHWDJGOEWMIKZ-INIZCTEOSA-N -1 3 394.468 3.825 20 0 GHADHM O=c1cc(Cn2nc(C(F)(F)F)cc2Br)nc(-c2ccccc2)[n-]1 ZINC001189560061 916716791 /nfs/dbraw/zinc/71/67/91/916716791.db2.gz IMAFQMMFGUJZAJ-UHFFFAOYSA-N -1 3 399.170 3.875 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC001189538045 916732195 /nfs/dbraw/zinc/73/21/95/916732195.db2.gz VGUBZVZWBWARSE-UHFFFAOYSA-N -1 3 391.342 3.712 20 0 GHADHM Cc1cnc([N-]C(=O)c2sc(Br)nc2C(F)(F)F)nc1C ZINC001189656939 916817764 /nfs/dbraw/zinc/81/77/64/916817764.db2.gz VTUHHCZAXXBQSW-UHFFFAOYSA-N -1 3 381.177 3.584 20 0 GHADHM COc1cccc2c1CC[C@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C2 ZINC001189765309 916901608 /nfs/dbraw/zinc/90/16/08/916901608.db2.gz MIZFFDQTUYKUFO-LBPRGKRZSA-N -1 3 381.350 3.587 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(Br)c(F)cc1F ZINC001189780292 916915059 /nfs/dbraw/zinc/91/50/59/916915059.db2.gz INXNEGCRZPLDNZ-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CCCC2 ZINC000650485574 917011950 /nfs/dbraw/zinc/01/19/50/917011950.db2.gz YDCRKUOBPZPAIL-UHFFFAOYSA-N -1 3 390.358 3.625 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189992164 917051688 /nfs/dbraw/zinc/05/16/88/917051688.db2.gz QNXHVLGFBXBHNO-UHFFFAOYSA-N -1 3 395.305 3.710 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1CCCCCC1 ZINC001190346158 917274511 /nfs/dbraw/zinc/27/45/11/917274511.db2.gz CMYCFVWRDMYFGC-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM CC1(C)C[C@](C)([N-]S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)C(=O)O1 ZINC001190629053 917462947 /nfs/dbraw/zinc/46/29/47/917462947.db2.gz CHOGYDLITNQOFL-FQEVSTJZSA-N -1 3 379.522 3.638 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@]1(C)CC(C)C ZINC000295776845 917483736 /nfs/dbraw/zinc/48/37/36/917483736.db2.gz LLTREAGLOORLGQ-QFIPXVFZSA-N -1 3 382.508 3.912 20 0 GHADHM CC(C)OC(=O)Nc1cc(C(=O)Nc2cc(Br)ccc2[O-])n(C)c1 ZINC001190873326 917621763 /nfs/dbraw/zinc/62/17/63/917621763.db2.gz FWGDNZXJSIANRL-UHFFFAOYSA-N -1 3 396.241 3.702 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccccc1F ZINC000651793917 917711817 /nfs/dbraw/zinc/71/18/17/917711817.db2.gz RYAZKWJEAYYHBZ-SDBXPKJASA-N -1 3 398.308 3.736 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001191104471 917758542 /nfs/dbraw/zinc/75/85/42/917758542.db2.gz SFWRRMGSPMORCG-VERVWZFWSA-N -1 3 378.947 3.666 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000296078476 917828821 /nfs/dbraw/zinc/82/88/21/917828821.db2.gz OLBLSTCDHVTSQR-GFCCVEGCSA-N -1 3 397.313 3.686 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)cc1 ZINC001191253879 917849773 /nfs/dbraw/zinc/84/97/73/917849773.db2.gz QXXQMIICOZCGFW-UHFFFAOYSA-N -1 3 382.485 3.981 20 0 GHADHM CCCCc1ccc(S(=O)(=O)NCc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC001191263875 917856358 /nfs/dbraw/zinc/85/63/58/917856358.db2.gz YRUUKDOVEMJYCF-UHFFFAOYSA-N -1 3 383.897 3.875 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccnc(N3CCCC3)c2)c1 ZINC001191279359 917892478 /nfs/dbraw/zinc/89/24/78/917892478.db2.gz FKZPNSNMHKVEOJ-UHFFFAOYSA-N -1 3 396.310 3.554 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1ccc(F)cc1Br ZINC001191365219 917967117 /nfs/dbraw/zinc/96/71/17/917967117.db2.gz XBDIPPLDAMABEG-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)c1nc(C(F)(F)F)no1 ZINC001191502039 918055411 /nfs/dbraw/zinc/05/54/11/918055411.db2.gz CZFCAQBWJBHLPI-LLVKDONJSA-N -1 3 397.378 3.795 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cccc(Oc2cccc(C(F)(F)F)c2)n1 ZINC001191711477 918134132 /nfs/dbraw/zinc/13/41/32/918134132.db2.gz MYXMWYAWVNVWBL-UHFFFAOYSA-N -1 3 389.333 3.923 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cncc(-c2ccccn2)c1 ZINC001191874925 918276567 /nfs/dbraw/zinc/27/65/67/918276567.db2.gz QLZHDOWGUPZWKI-UHFFFAOYSA-N -1 3 377.828 3.878 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)c1noc(-c2ccccc2)n1 ZINC000296507756 918340552 /nfs/dbraw/zinc/34/05/52/918340552.db2.gz ZOVBQDKGNKUEIR-TZMCWYRMSA-N -1 3 385.436 3.543 20 0 GHADHM CN(C)c1nc(NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(=O)[n-]1 ZINC001192011617 918357845 /nfs/dbraw/zinc/35/78/45/918357845.db2.gz QFLIVRTWLCAMQL-UHFFFAOYSA-N -1 3 376.631 3.852 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C3CC3)[C@@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000653945671 918612260 /nfs/dbraw/zinc/61/22/60/918612260.db2.gz HGVFMXWVZWENQM-ICSRJNTNSA-N -1 3 382.464 3.627 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c([O-])c1 ZINC000364474814 919499540 /nfs/dbraw/zinc/49/95/40/919499540.db2.gz DTLFWYHPHXQKLX-IBGZPJMESA-N -1 3 391.508 3.761 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nnc(-c2ccccc2F)s1 ZINC000800262232 919798785 /nfs/dbraw/zinc/79/87/85/919798785.db2.gz GISVJJBRZCHRNM-QMMMGPOBSA-N -1 3 387.371 3.673 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nnc(-c2ccccc2F)s1 ZINC000800262232 919798796 /nfs/dbraw/zinc/79/87/96/919798796.db2.gz GISVJJBRZCHRNM-QMMMGPOBSA-N -1 3 387.371 3.673 20 0 GHADHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nnc(-c2ccccc2F)s1 ZINC000800262232 919798813 /nfs/dbraw/zinc/79/88/13/919798813.db2.gz GISVJJBRZCHRNM-QMMMGPOBSA-N -1 3 387.371 3.673 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2[n-]nnc21)Nc1ccccc1-c1ccccc1 ZINC000800263237 919800992 /nfs/dbraw/zinc/80/09/92/919800992.db2.gz UOBUNFGAAZLFBO-UHFFFAOYSA-N -1 3 390.374 3.560 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2nn[n-]c21)Nc1ccccc1-c1ccccc1 ZINC000800263237 919801069 /nfs/dbraw/zinc/80/10/69/919801069.db2.gz UOBUNFGAAZLFBO-UHFFFAOYSA-N -1 3 390.374 3.560 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2n[n-]nc21)Nc1ccccc1-c1ccccc1 ZINC000800263237 919801147 /nfs/dbraw/zinc/80/11/47/919801147.db2.gz UOBUNFGAAZLFBO-UHFFFAOYSA-N -1 3 390.374 3.560 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)c([O-])c1 ZINC000364983136 920266654 /nfs/dbraw/zinc/26/66/54/920266654.db2.gz FQVFHPQKKGXOOP-QGZVFWFLSA-N -1 3 388.464 3.607 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000800658299 920341932 /nfs/dbraw/zinc/34/19/32/920341932.db2.gz LVLMJUQORNOCRL-ZWKOTPCHSA-N -1 3 382.460 3.525 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)[C@H]1CC[C@H](O)CC1 ZINC000298422550 920521304 /nfs/dbraw/zinc/52/13/04/920521304.db2.gz GALRDHWYECRKIU-SHTZXODSSA-N -1 3 387.480 3.938 20 0 GHADHM COc1ccc(-c2ccc(C)c(NC(=O)c3nnc4ccccc4c3[O-])c2)cn1 ZINC000801148565 920803008 /nfs/dbraw/zinc/80/30/08/920803008.db2.gz IKBWZRBZVLDENZ-UHFFFAOYSA-N -1 3 386.411 3.967 20 0 GHADHM O=C([O-])CN(Cc1cc(OC(F)F)ccc1Br)C1CCCC1 ZINC000902039090 921831087 /nfs/dbraw/zinc/83/10/87/921831087.db2.gz XVTIDDIFWPHPDZ-UHFFFAOYSA-N -1 3 378.213 3.880 20 0 GHADHM Cc1cc(Br)c(OCC(=O)[O-])c(CNCCSC(C)(C)C)c1 ZINC000902124139 921897685 /nfs/dbraw/zinc/89/76/85/921897685.db2.gz DJEPVFCNVCHCGX-UHFFFAOYSA-N -1 3 390.343 3.842 20 0 GHADHM Cc1nc(CC2CCN(Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)CC2)no1 ZINC000902566532 922301613 /nfs/dbraw/zinc/30/16/13/922301613.db2.gz FMRSNJHWOCWARM-UHFFFAOYSA-N -1 3 381.432 3.791 20 0 GHADHM COc1cncc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)c1C ZINC000902568575 922307031 /nfs/dbraw/zinc/30/70/31/922307031.db2.gz LGWBDEXOSAVYBR-UHFFFAOYSA-N -1 3 379.460 3.958 20 0 GHADHM Cc1n[nH]cc1CCC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902797481 922502766 /nfs/dbraw/zinc/50/27/66/922502766.db2.gz FOFTVALFXHETEH-UHFFFAOYSA-N -1 3 396.747 3.626 20 0 GHADHM CC1(C)CC[C@@H](COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)O1 ZINC000803282323 922853706 /nfs/dbraw/zinc/85/37/06/922853706.db2.gz INZYULUHYKFRDV-PMACEKPBSA-N -1 3 397.471 3.754 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(CC[S@@](=O)c4ccccc4)CC3)c2c1 ZINC000903636245 923145092 /nfs/dbraw/zinc/14/50/92/923145092.db2.gz XMSRXNJBOWSYBD-MUUNZHRXSA-N -1 3 396.512 3.853 20 0 GHADHM Cc1csc(C[C@@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000903934937 923409065 /nfs/dbraw/zinc/40/90/65/923409065.db2.gz FZCWKJZXPUFKJA-ZDUSSCGKSA-N -1 3 380.897 3.747 20 0 GHADHM Cc1c(Br)cccc1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903940369 923416139 /nfs/dbraw/zinc/41/61/39/923416139.db2.gz CXZJQUDHIYINQY-XKQJLSEDSA-N -1 3 382.298 3.602 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952299 923432710 /nfs/dbraw/zinc/43/27/10/923432710.db2.gz XIRQOMCANWBJMR-SJBDTSRBSA-N -1 3 388.489 3.858 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ccccc1C(F)(F)F ZINC000748478090 923664533 /nfs/dbraw/zinc/66/45/33/923664533.db2.gz UPFVWKVADQTQBN-UHFFFAOYSA-N -1 3 391.704 3.999 20 0 GHADHM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000748480289 923666997 /nfs/dbraw/zinc/66/69/97/923666997.db2.gz XWLOHYAYVNPHPV-NSHDSACASA-N -1 3 397.830 3.850 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](C)c2cc(Cl)ccc2OC(F)F)c(=O)[n-]1 ZINC000749090000 924017772 /nfs/dbraw/zinc/01/77/72/924017772.db2.gz LYIIKEFWPYVZHM-SECBINFHSA-N -1 3 386.782 3.901 20 0 GHADHM CCOC(=O)N1[C@H](C(=O)Nc2cccc([O-])c2F)CC[C@H]1c1ccc(C)o1 ZINC000371305960 924517313 /nfs/dbraw/zinc/51/73/13/924517313.db2.gz QJFCZKJXENODQA-KBPBESRZSA-N -1 3 376.384 3.733 20 0 GHADHM COc1cc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000677876016 924533971 /nfs/dbraw/zinc/53/39/71/924533971.db2.gz ZMYNLLBGKZMMKL-IIBYNOLFSA-N -1 3 385.460 3.649 20 0 GHADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000677908944 924544751 /nfs/dbraw/zinc/54/47/51/924544751.db2.gz BOBVNCJBRIBNDV-FPLPWBNLSA-N -1 3 398.835 3.788 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000827061180 924686754 /nfs/dbraw/zinc/68/67/54/924686754.db2.gz CDXKZTULXGLRDV-UHFFFAOYSA-N -1 3 387.455 3.911 20 0 GHADHM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1[n-]cnc1C(F)(F)F ZINC000827151871 924901524 /nfs/dbraw/zinc/90/15/24/924901524.db2.gz MBRKSTBATOWQJN-UHFFFAOYSA-N -1 3 393.325 3.520 20 0 GHADHM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1nc[n-]c1C(F)(F)F 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XNVDSABTTGHOMV-OAHLLOKOSA-N -1 3 382.476 3.819 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)c1ccsc1 ZINC000373462887 926157623 /nfs/dbraw/zinc/15/76/23/926157623.db2.gz XKWXRNLEJZJLBN-UHFFFAOYSA-N -1 3 380.469 3.642 20 0 GHADHM CCCN(CC(F)F)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000411229633 926232998 /nfs/dbraw/zinc/23/29/98/926232998.db2.gz TXRIACXMUIJXEB-JTQLQIEISA-N -1 3 387.452 3.508 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000827914866 926266122 /nfs/dbraw/zinc/26/61/22/926266122.db2.gz IDCHNLBDAMIAAJ-XYJFISCASA-N -1 3 398.528 3.645 20 0 GHADHM CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000725885877 926480062 /nfs/dbraw/zinc/48/00/62/926480062.db2.gz BRHYGHOSPCQQKR-LJQANCHMSA-N -1 3 396.487 3.528 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc12 ZINC000411804840 926794662 /nfs/dbraw/zinc/79/46/62/926794662.db2.gz PIUZBNHEFMEKKQ-UHFFFAOYSA-N -1 3 388.467 3.888 20 0 GHADHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000749299774 927042055 /nfs/dbraw/zinc/04/20/55/927042055.db2.gz JINWLHSEWZHMPQ-AWEZNQCLSA-N -1 3 389.329 3.697 20 0 GHADHM Cc1nc([C@@H]2CCCCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)no1 ZINC000412260013 927269096 /nfs/dbraw/zinc/26/90/96/927269096.db2.gz UQTJGQSXWNXNEV-HNNXBMFYSA-N -1 3 386.839 3.630 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412317928 927328203 /nfs/dbraw/zinc/32/82/03/927328203.db2.gz PJNFJHSRHXNMAE-GLFJAGTFSA-N -1 3 388.895 3.583 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000749959756 927371507 /nfs/dbraw/zinc/37/15/07/927371507.db2.gz PKZKIOHHKDPUJC-SJLPKXTDSA-N -1 3 388.508 3.952 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1csc2ccccc21 ZINC000751073777 928015335 /nfs/dbraw/zinc/01/53/35/928015335.db2.gz CEBGHGIFKKVYHQ-NSHDSACASA-N -1 3 393.461 3.867 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc2ccccc2c1)c1cccc(Cl)c1F ZINC000751155066 928052276 /nfs/dbraw/zinc/05/22/76/928052276.db2.gz OWMNVTLRCOXRNU-INIZCTEOSA-N -1 3 379.840 3.644 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000751371457 928160187 /nfs/dbraw/zinc/16/01/87/928160187.db2.gz IUCHZZQUIYVZTB-JTQLQIEISA-N -1 3 386.709 3.720 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1Cl)c1c(Cl)cccc1Cl ZINC000751441819 928195743 /nfs/dbraw/zinc/19/57/43/928195743.db2.gz RGWRWVMYKOJCGR-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)c1c(F)cccc1F ZINC000751464862 928204175 /nfs/dbraw/zinc/20/41/75/928204175.db2.gz FQBVKYCNCIBJMW-BBRMVZONSA-N -1 3 393.814 3.548 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731826 928354293 /nfs/dbraw/zinc/35/42/93/928354293.db2.gz NYSUIRSPBLYLRM-CQSZACIVSA-N -1 3 397.855 3.939 20 0 GHADHM Cn1cc(-c2ccc(F)c(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)c2)cn1 ZINC000543889413 928538831 /nfs/dbraw/zinc/53/88/31/928538831.db2.gz WIMWNNAECJIWPG-UHFFFAOYSA-N -1 3 397.360 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ZINC000467931323 929603486 /nfs/dbraw/zinc/60/34/86/929603486.db2.gz WSPBDTPOXLTXPJ-UHFFFAOYSA-N -1 3 391.349 3.995 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Br)c2C)cc1F ZINC000467949114 929620917 /nfs/dbraw/zinc/62/09/17/929620917.db2.gz NZYPYDJFQVXYMR-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1nc(C)n(Cc2cccc(NC(=O)CCCc3ccc([O-])c(F)c3)c2)n1 ZINC000469318539 929787741 /nfs/dbraw/zinc/78/77/41/929787741.db2.gz OBYWWSNZVKHSEA-UHFFFAOYSA-N -1 3 382.439 3.749 20 0 GHADHM CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC000469322488 929790160 /nfs/dbraw/zinc/79/01/60/929790160.db2.gz XZQBMGGOWQFFMI-JTQLQIEISA-N -1 3 399.740 3.605 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469340205 929800913 /nfs/dbraw/zinc/80/09/13/929800913.db2.gz VXKQCIYVXFUSNL-UHFFFAOYSA-N -1 3 387.455 3.700 20 0 GHADHM Cc1nc(C)c(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)o1 ZINC000469346080 929805614 /nfs/dbraw/zinc/80/56/14/929805614.db2.gz OWKCKXSXWPNETP-UHFFFAOYSA-N -1 3 397.229 3.964 20 0 GHADHM COc1ccc(C(=O)CCCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000546157025 929914589 /nfs/dbraw/zinc/91/45/89/929914589.db2.gz JFPUBIOQYYOVCI-UHFFFAOYSA-N -1 3 382.420 3.764 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1Oc1ccccc1 ZINC000469640751 930050205 /nfs/dbraw/zinc/05/02/05/930050205.db2.gz VBVNKUCVFGBORJ-CZTZKLFOSA-N -1 3 387.451 3.595 20 0 GHADHM Cn1cc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccc(F)cc2)cn1 ZINC000469643556 930051917 /nfs/dbraw/zinc/05/19/17/930051917.db2.gz SAGQJSPPYIDZAQ-NRFANRHFSA-N -1 3 385.414 3.632 20 0 GHADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4cc(F)ccc4C)s3)nn2)c1 ZINC000469901328 930244928 /nfs/dbraw/zinc/24/49/28/930244928.db2.gz XYUBPWOMSHVJTC-UHFFFAOYSA-N -1 3 394.435 3.794 20 0 GHADHM COc1ccc(/C=C/C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000759708421 930460333 /nfs/dbraw/zinc/46/03/33/930460333.db2.gz SWIODBBSPSVXTP-XBXARRHUSA-N -1 3 378.222 3.824 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000780759173 930592474 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CCc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1[O-] ZINC000557202067 931268307 /nfs/dbraw/zinc/26/83/07/931268307.db2.gz UQTKJSSTVQYKKY-UHFFFAOYSA-N -1 3 376.840 3.571 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCc2cc(Cl)ccc2Cl)cc1OC ZINC000783023900 931389220 /nfs/dbraw/zinc/38/92/20/931389220.db2.gz IUTLIKODWPKNKF-UHFFFAOYSA-N -1 3 384.259 3.844 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCc1cncc(OCc2ccccc2)c1 ZINC000783023983 931389383 /nfs/dbraw/zinc/38/93/83/931389383.db2.gz JEEDWAFEMMIYSZ-UHFFFAOYSA-N -1 3 378.428 3.678 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)s1 ZINC000783673023 931614631 /nfs/dbraw/zinc/61/46/31/931614631.db2.gz KPNOQXRNAYNKQW-UHFFFAOYSA-N -1 3 382.344 3.771 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cc2C1 ZINC000783859241 931695335 /nfs/dbraw/zinc/69/53/35/931695335.db2.gz KTLANCMWPGFSJM-OAHLLOKOSA-N -1 3 385.407 3.928 20 0 GHADHM O=C(COc1cc(Cl)cc(Cl)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783930058 931720440 /nfs/dbraw/zinc/72/04/40/931720440.db2.gz WIKJUJPLYPEAHH-UHFFFAOYSA-N -1 3 395.198 3.871 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000557854284 931723052 /nfs/dbraw/zinc/72/30/52/931723052.db2.gz AWUMOWUJSNMSHB-WCQYABFASA-N -1 3 375.343 3.559 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)ccc1Cl ZINC000557862092 931728797 /nfs/dbraw/zinc/72/87/97/931728797.db2.gz KOVCUOGJPWRBJQ-CQSZACIVSA-N -1 3 378.252 3.535 20 0 GHADHM O=c1[n-]c(CN[C@@H](CCO)c2ccc(Cl)cc2)nc2c3ccccc3oc21 ZINC000558152340 931860769 /nfs/dbraw/zinc/86/07/69/931860769.db2.gz HQQHUUYYNOWBJW-HNNXBMFYSA-N -1 3 383.835 3.948 20 0 GHADHM CCCCOc1cc(OC)ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784762674 931999529 /nfs/dbraw/zinc/99/95/29/931999529.db2.gz MICVMJRLNYOREN-UHFFFAOYSA-N -1 3 398.415 3.987 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3cc(F)cc(Cl)c3)nc2)n1 ZINC000784812605 932007850 /nfs/dbraw/zinc/00/78/50/932007850.db2.gz JVTBYTKJAMKXDU-INIZCTEOSA-N -1 3 388.830 3.745 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ncsc1-c1ccccc1 ZINC000784855555 932013696 /nfs/dbraw/zinc/01/36/96/932013696.db2.gz MOCDCUKIFKTRGP-UHFFFAOYSA-N -1 3 379.397 3.923 20 0 GHADHM CCOc1cccc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)n1 ZINC000797914352 932454097 /nfs/dbraw/zinc/45/40/97/932454097.db2.gz AUBZOOJHJIWUPL-NSHDSACASA-N -1 3 387.461 3.654 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1ncoc1C1CC1 ZINC000559395750 932650115 /nfs/dbraw/zinc/65/01/15/932650115.db2.gz BPQGHHNRTAVLTN-UHFFFAOYSA-N -1 3 391.200 3.518 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1Cl ZINC000798489641 932669081 /nfs/dbraw/zinc/66/90/81/932669081.db2.gz GWUAOZKCRGXEGC-MGCOHNPYSA-N -1 3 394.711 3.605 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000799022510 932853157 /nfs/dbraw/zinc/85/31/57/932853157.db2.gz IFDAXGRNFVVWAX-UKRRQHHQSA-N -1 3 376.463 3.756 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1cc(Cl)ccc1Br ZINC000799093742 932876457 /nfs/dbraw/zinc/87/64/57/932876457.db2.gz BVHXMWKDDOFLFR-UHFFFAOYSA-N -1 3 384.657 3.902 20 0 GHADHM CC[C@@H]1CC[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000559989077 933002007 /nfs/dbraw/zinc/00/20/07/933002007.db2.gz HUALIRFSIVSPHX-VXGBXAGGSA-N -1 3 390.241 3.914 20 0 GHADHM CC1(C)CCC[C@@H]1OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000799471854 933016973 /nfs/dbraw/zinc/01/69/73/933016973.db2.gz HXSXMODFFKCDRN-INIZCTEOSA-N -1 3 380.441 3.690 20 0 GHADHM CC(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1[O-] ZINC000560549005 933334433 /nfs/dbraw/zinc/33/44/33/933334433.db2.gz ACFAFRGTJIGFQR-UHFFFAOYSA-N -1 3 382.185 3.514 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001116246520 933433105 /nfs/dbraw/zinc/43/31/05/933433105.db2.gz NPSWYYSGRLRXRQ-UHFFFAOYSA-N -1 3 396.827 3.527 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC(C)(C)C3(C)C)nc(=O)c2c1C ZINC001116338830 933491386 /nfs/dbraw/zinc/49/13/86/933491386.db2.gz JAJVUNUMVYZSPV-NSHDSACASA-N -1 3 377.510 3.651 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCOC34CCCCC4)cc2)cc(=O)[n-]1 ZINC000929762581 933619946 /nfs/dbraw/zinc/61/99/46/933619946.db2.gz GEWVULWACIFMHS-GOSISDBHSA-N -1 3 382.464 3.771 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC3CC4(C3)COC(C)(C)C4)cc2)cc(=O)[n-]1 ZINC000929762619 933620322 /nfs/dbraw/zinc/62/03/22/933620322.db2.gz HFKFRRQSURLPKQ-UHFFFAOYSA-N -1 3 382.464 3.627 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001116830619 933782667 /nfs/dbraw/zinc/78/26/67/933782667.db2.gz QQZODCZIMXSKHH-UHFFFAOYSA-N -1 3 380.897 3.745 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001116893515 933815188 /nfs/dbraw/zinc/81/51/88/933815188.db2.gz NZEIRNYBBXEIJV-CTYIDZIISA-N -1 3 379.382 3.504 20 0 GHADHM C[C@@H](c1ccc(Br)cc1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000561131976 933897254 /nfs/dbraw/zinc/89/72/54/933897254.db2.gz KCYCDOLPSWTZKL-MGUXCZDKSA-N -1 3 381.295 3.832 20 0 GHADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001117489232 933944411 /nfs/dbraw/zinc/94/44/11/933944411.db2.gz MHNLOEDJMCHOFH-KBPBESRZSA-N -1 3 399.532 3.553 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC001117736947 934000246 /nfs/dbraw/zinc/00/02/46/934000246.db2.gz DGNJHUIGSGUNAN-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cc(Br)sc2C)c1F ZINC000690026727 934312124 /nfs/dbraw/zinc/31/21/24/934312124.db2.gz ZQKNQFIPYQTENL-UHFFFAOYSA-N -1 3 380.260 3.768 20 0 GHADHM Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)[N-]OC1CCCCC1 ZINC000777961168 934389287 /nfs/dbraw/zinc/38/92/87/934389287.db2.gz KFYAKBUEHLQHND-UHFFFAOYSA-N -1 3 396.413 3.826 20 0 GHADHM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777977027 934444801 /nfs/dbraw/zinc/44/48/01/934444801.db2.gz DLNYNKHVUKLMAH-JTQLQIEISA-N -1 3 375.277 3.827 20 0 GHADHM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001120768550 934510452 /nfs/dbraw/zinc/51/04/52/934510452.db2.gz XQYUPVWGQJFDQT-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001120768550 934510461 /nfs/dbraw/zinc/51/04/61/934510461.db2.gz XQYUPVWGQJFDQT-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM Cc1nc(-c2nnc(N3CCCC4(CC4)CC3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001122157107 934834736 /nfs/dbraw/zinc/83/47/36/934834736.db2.gz TZGFOYYTCCMDQD-UHFFFAOYSA-N -1 3 390.491 3.568 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001122577530 934906160 /nfs/dbraw/zinc/90/61/60/934906160.db2.gz CVQZEXUDCWHFIF-NRFANRHFSA-N -1 3 397.479 3.581 20 0 GHADHM C[C@@]1(C(F)(F)F)CCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001122933102 935034978 /nfs/dbraw/zinc/03/49/78/935034978.db2.gz LAGQGGJSZKVURG-OAHLLOKOSA-N -1 3 399.398 3.527 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CCCCCCC2)ccc1F ZINC001125233862 935555631 /nfs/dbraw/zinc/55/56/31/935555631.db2.gz KLUJJFJYJZTUCN-UHFFFAOYSA-N -1 3 398.544 3.993 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3sccc3nc2Cl)s1 ZINC000828463905 935637988 /nfs/dbraw/zinc/63/79/88/935637988.db2.gz HYHBAHXVGCIKBX-UHFFFAOYSA-N -1 3 396.881 3.549 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cnn1C1CCOCC1 ZINC000830028310 935892068 /nfs/dbraw/zinc/89/20/68/935892068.db2.gz IVRKKUNOFCPZGB-DHZHZOJOSA-N -1 3 381.885 3.609 20 0 GHADHM CCCn1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)c1C1CC1 ZINC000830082487 935897192 /nfs/dbraw/zinc/89/71/92/935897192.db2.gz GOFNFFJCCJMQFQ-UHFFFAOYSA-N -1 3 387.505 3.908 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001573551899 946874815 /nfs/dbraw/zinc/87/48/15/946874815.db2.gz LSVFXHXYTYERIG-UHFFFAOYSA-N -1 3 381.411 3.515 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001573551899 946874826 /nfs/dbraw/zinc/87/48/26/946874826.db2.gz LSVFXHXYTYERIG-UHFFFAOYSA-N -1 3 381.411 3.515 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001573553600 946892232 /nfs/dbraw/zinc/89/22/32/946892232.db2.gz YWPCBSZSSCYAFF-UHFFFAOYSA-N -1 3 390.230 3.557 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001573553600 946892241 /nfs/dbraw/zinc/89/22/41/946892241.db2.gz YWPCBSZSSCYAFF-UHFFFAOYSA-N -1 3 390.230 3.557 20 0 GHADHM C=C/C=C/CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001573316803 947283282 /nfs/dbraw/zinc/28/32/82/947283282.db2.gz ZLLORLFZICVUEQ-SNAWJCMRSA-N -1 3 375.432 3.825 20 0 GHADHM C=C/C=C/CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001573316803 947283296 /nfs/dbraw/zinc/28/32/96/947283296.db2.gz ZLLORLFZICVUEQ-SNAWJCMRSA-N -1 3 375.432 3.825 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001573366433 947739919 /nfs/dbraw/zinc/73/99/19/947739919.db2.gz QBBXSHPKXBJCMP-FMIVXFBMSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001573366433 947739927 /nfs/dbraw/zinc/73/99/27/947739927.db2.gz QBBXSHPKXBJCMP-FMIVXFBMSA-N -1 3 394.866 3.822 20 0 GHADHM CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292433323 948500243 /nfs/dbraw/zinc/50/02/43/948500243.db2.gz QDKMMACCHOUKKX-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292433323 948500247 /nfs/dbraw/zinc/50/02/47/948500247.db2.gz QDKMMACCHOUKKX-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC001573755136 948756555 /nfs/dbraw/zinc/75/65/55/948756555.db2.gz ATTNQABXQYAAJU-DYVFJYSZSA-N -1 3 395.488 3.772 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC001573755136 948756565 /nfs/dbraw/zinc/75/65/65/948756565.db2.gz ATTNQABXQYAAJU-DYVFJYSZSA-N -1 3 395.488 3.772 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(-c3nnn[n-]3)ccc1F)CCC2 ZINC001574417166 948765698 /nfs/dbraw/zinc/76/56/98/948765698.db2.gz MUUOTLYDTFSEPP-IBGZPJMESA-N -1 3 379.439 3.937 20 0 GHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(-c3nn[n-]n3)ccc1F)CCC2 ZINC001574417166 948765711 /nfs/dbraw/zinc/76/57/11/948765711.db2.gz MUUOTLYDTFSEPP-IBGZPJMESA-N -1 3 379.439 3.937 20 0 GHADHM CC(C)(C(=O)CSc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC001573762016 948846792 /nfs/dbraw/zinc/84/67/92/948846792.db2.gz OTVGHOMDOALSGI-UHFFFAOYSA-N -1 3 393.516 3.780 20 0 GHADHM CC(C)(C(=O)CSc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC001573762016 948846809 /nfs/dbraw/zinc/84/68/09/948846809.db2.gz OTVGHOMDOALSGI-UHFFFAOYSA-N -1 3 393.516 3.780 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2cc(Cl)ccc21 ZINC001574082739 948865540 /nfs/dbraw/zinc/86/55/40/948865540.db2.gz IKPLQFOKXDMXQX-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2cc(Cl)ccc21 ZINC001574082739 948865554 /nfs/dbraw/zinc/86/55/54/948865554.db2.gz IKPLQFOKXDMXQX-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC001574083239 948881339 /nfs/dbraw/zinc/88/13/39/948881339.db2.gz QULVGZCKZGBZJL-NUJGCVRESA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC001574083239 948881361 /nfs/dbraw/zinc/88/13/61/948881361.db2.gz QULVGZCKZGBZJL-NUJGCVRESA-N -1 3 385.512 3.601 20 0 GHADHM CC(F)(F)c1c(F)cccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001575242666 948989079 /nfs/dbraw/zinc/98/90/79/948989079.db2.gz JQCPHHABFYCFGJ-UHFFFAOYSA-N -1 3 394.332 3.578 20 0 GHADHM CC(F)(F)c1c(F)cccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001575242666 948989084 /nfs/dbraw/zinc/98/90/84/948989084.db2.gz JQCPHHABFYCFGJ-UHFFFAOYSA-N -1 3 394.332 3.578 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccccc1OC(F)(F)F ZINC001575511578 949128814 /nfs/dbraw/zinc/12/88/14/949128814.db2.gz KGAIBTWXLPMINL-LLVKDONJSA-N -1 3 391.353 3.599 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccccc1OC(F)(F)F ZINC001575511578 949128834 /nfs/dbraw/zinc/12/88/34/949128834.db2.gz KGAIBTWXLPMINL-LLVKDONJSA-N -1 3 391.353 3.599 20 0 GHADHM CC(C)[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC001574099186 949172860 /nfs/dbraw/zinc/17/28/60/949172860.db2.gz JDYDFLZNAIAEFI-MRXNPFEDSA-N -1 3 396.882 3.718 20 0 GHADHM CC(C)[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC001574099186 949172867 /nfs/dbraw/zinc/17/28/67/949172867.db2.gz JDYDFLZNAIAEFI-MRXNPFEDSA-N -1 3 396.882 3.718 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC001575516203 949205267 /nfs/dbraw/zinc/20/52/67/949205267.db2.gz NMJNCLBDUXBEFD-CQSZACIVSA-N -1 3 388.406 3.809 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC001575516203 949205288 /nfs/dbraw/zinc/20/52/88/949205288.db2.gz NMJNCLBDUXBEFD-CQSZACIVSA-N -1 3 388.406 3.809 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001575517920 949245350 /nfs/dbraw/zinc/24/53/50/949245350.db2.gz ZXGYXMPZJZPNLT-INIZCTEOSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001575517920 949245372 /nfs/dbraw/zinc/24/53/72/949245372.db2.gz ZXGYXMPZJZPNLT-INIZCTEOSA-N -1 3 384.443 3.599 20 0 GHADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001576155208 949389224 /nfs/dbraw/zinc/38/92/24/949389224.db2.gz TZAOOUOVNIOOGW-XCLFUZPHSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001576155208 949389247 /nfs/dbraw/zinc/38/92/47/949389247.db2.gz TZAOOUOVNIOOGW-XCLFUZPHSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001576155207 949389665 /nfs/dbraw/zinc/38/96/65/949389665.db2.gz TZAOOUOVNIOOGW-RNODOKPDSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001576155207 949389687 /nfs/dbraw/zinc/38/96/87/949389687.db2.gz TZAOOUOVNIOOGW-RNODOKPDSA-N -1 3 378.436 3.819 20 0 GHADHM CCCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001589659444 949846402 /nfs/dbraw/zinc/84/64/02/949846402.db2.gz UFGULWCHLDXFND-LJQANCHMSA-N -1 3 396.491 3.688 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573825257 949866179 /nfs/dbraw/zinc/86/61/79/949866179.db2.gz OIZXYGGDKQTYHZ-SMDDNHRTSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573825257 949866201 /nfs/dbraw/zinc/86/62/01/949866201.db2.gz OIZXYGGDKQTYHZ-SMDDNHRTSA-N -1 3 385.390 3.771 20 0 GHADHM CCN(CCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccccc1C ZINC001589734127 950516058 /nfs/dbraw/zinc/51/60/58/950516058.db2.gz QTNZEGLVEYZGTO-GOSISDBHSA-N -1 3 385.508 3.505 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)Cc3ccc(F)cc3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576218819 950795808 /nfs/dbraw/zinc/79/58/08/950795808.db2.gz RQTDDSVVMQUOBO-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)Cc3ccc(F)cc3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576218819 950795820 /nfs/dbraw/zinc/79/58/20/950795820.db2.gz RQTDDSVVMQUOBO-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001573888326 950864125 /nfs/dbraw/zinc/86/41/25/950864125.db2.gz TZHPHIDFYUGVRO-LSDHHAIUSA-N -1 3 399.886 3.754 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001573888326 950864144 /nfs/dbraw/zinc/86/41/44/950864144.db2.gz TZHPHIDFYUGVRO-LSDHHAIUSA-N -1 3 399.886 3.754 20 0 GHADHM CC1(C)C[C@@]1(C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001575641432 950921085 /nfs/dbraw/zinc/92/10/85/950921085.db2.gz QBBZNHCYGRNDNM-CVDCTZTESA-N -1 3 387.487 3.728 20 0 GHADHM CC1(C)C[C@@]1(C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001575641432 950921097 /nfs/dbraw/zinc/92/10/97/950921097.db2.gz QBBZNHCYGRNDNM-CVDCTZTESA-N -1 3 387.487 3.728 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001575188861 952450107 /nfs/dbraw/zinc/45/01/07/952450107.db2.gz KQXGLGLSIDMERX-CQSZACIVSA-N -1 3 396.470 3.560 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001575188861 952450111 /nfs/dbraw/zinc/45/01/11/952450111.db2.gz KQXGLGLSIDMERX-CQSZACIVSA-N -1 3 396.470 3.560 20 0 GHADHM Cc1cc(C2CCN(Cc3c(C(=O)[O-])cnn3C)CC2)ccc1Br ZINC001594301376 957915348 /nfs/dbraw/zinc/91/53/48/957915348.db2.gz YOVSIBOQXWRALZ-UHFFFAOYSA-N -1 3 392.297 3.569 20 0 GHADHM CC(C)(C)OC(=O)N(CCN1Cc2ccccc2[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001588675950 960545797 /nfs/dbraw/zinc/54/57/97/960545797.db2.gz ZVOKRMZNOKMRIQ-QGZVFWFLSA-N -1 3 376.497 3.706 20 0 GHADHM Cc1ccc(-c2csc(CN3C[C@@H](c4cnn(C)c4)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001574347700 960970972 /nfs/dbraw/zinc/97/09/72/960970972.db2.gz KTNQDWZSNAMOPC-IRXDYDNUSA-N -1 3 396.516 3.542 20 0 GHADHM CC(C)[C@](C)(NCc1cc(C(=O)[O-])nn1C)c1ccc(Br)cc1 ZINC001588811753 961519119 /nfs/dbraw/zinc/51/91/19/961519119.db2.gz AAKJABRUDGVZBB-KRWDZBQOSA-N -1 3 380.286 3.542 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1C(F)(F)F ZINC001573990199 961815353 /nfs/dbraw/zinc/81/53/53/961815353.db2.gz DKPIAKKEAAZNHV-WAYWQWQTSA-N -1 3 382.338 3.710 20 0 GHADHM Cc1oc(C(C)(C)C)cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347533602 962389949 /nfs/dbraw/zinc/38/99/49/962389949.db2.gz BISURLWALIJUQB-QHCPKHFHSA-N -1 3 398.503 3.735 20 0 GHADHM CC(C)n1ncc2cc(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cnc21 ZINC000277406365 962851709 /nfs/dbraw/zinc/85/17/09/962851709.db2.gz SEEOZEHZVYRJKV-INIZCTEOSA-N -1 3 376.819 3.720 20 0 GHADHM Cc1cccc([C@@H](NCc2cnc3c(C)cc(Br)cn23)C(=O)[O-])c1 ZINC001605329367 973196761 /nfs/dbraw/zinc/19/67/61/973196761.db2.gz JSZIHLWGYIHGHX-MRXNPFEDSA-N -1 3 388.265 3.629 20 0 GHADHM COC[C@@H](NCCOc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC001604516584 973461278 /nfs/dbraw/zinc/46/12/78/973461278.db2.gz VHHJKSFUYRHTLM-MRXNPFEDSA-N -1 3 394.265 3.503 20 0 GHADHM CC(C)n1ncc2cc(CN(CCc3ccccc3)CC(=O)[O-])c(Cl)nc21 ZINC001592162727 977043176 /nfs/dbraw/zinc/04/31/76/977043176.db2.gz GRNLFWFPCPSNPP-UHFFFAOYSA-N -1 3 386.883 3.795 20 0 GHADHM C[C@@H](CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1)c1cccc(Br)c1 ZINC001592611516 978567584 /nfs/dbraw/zinc/56/75/84/978567584.db2.gz ORLZGMQVGLHJCO-AWEZNQCLSA-N -1 3 396.325 3.634 20 0 GHADHM CC[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595300463 980434765 /nfs/dbraw/zinc/43/47/65/980434765.db2.gz QNNIYNZFCJMLAU-SFTDATJTSA-N -1 3 396.487 3.535 20 0 GHADHM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C[C@H](O)COCc1ccccc1 ZINC000902171906 980766628 /nfs/dbraw/zinc/76/66/28/980766628.db2.gz AGWUPGOLJKXZAX-FQEVSTJZSA-N -1 3 395.455 3.654 20 0 GHADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c(Br)c1 ZINC000903941506 981062009 /nfs/dbraw/zinc/06/20/09/981062009.db2.gz PMFHQJJZIHDBGY-IAOVAPTHSA-N -1 3 382.298 3.602 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001595836524 982742494 /nfs/dbraw/zinc/74/24/94/982742494.db2.gz DAYCWLSRJIXACM-SFHVURJKSA-N -1 3 395.931 3.619 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccco1 ZINC001594994440 982876275 /nfs/dbraw/zinc/87/62/75/982876275.db2.gz MJBMWZPNBIOZES-OFQRWUPVSA-N -1 3 390.505 3.704 20 0 GHADHM CCN1CC[C@@H](NCc2ccc(C(=O)[O-])cc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596409799 983995783 /nfs/dbraw/zinc/99/57/83/983995783.db2.gz DJZIAYJANMXUIK-MJGOQNOKSA-N -1 3 396.384 3.866 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000467996329 1015117704 /nfs/dbraw/zinc/11/77/04/1015117704.db2.gz VCBVKGRDXKVKES-NEPJUHHUSA-N -1 3 379.334 3.728 20 0 GHADHM CCOCCCN(Cc1cc(F)ccc1Br)C[C@H](C)C(=O)[O-] ZINC001596915045 985939044 /nfs/dbraw/zinc/93/90/44/985939044.db2.gz QOTKHYVXTHNWFK-LBPRGKRZSA-N -1 3 376.266 3.538 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001597020925 986406206 /nfs/dbraw/zinc/40/62/06/986406206.db2.gz IFDHYCVNKBHTSY-GOSISDBHSA-N -1 3 397.475 3.570 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001589511050 987138134 /nfs/dbraw/zinc/13/81/34/987138134.db2.gz YGJYWFOWXRMYIM-UZLBHIALSA-N -1 3 381.476 3.833 20 0 GHADHM CCc1[nH]c(CN[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC001597390273 987615294 /nfs/dbraw/zinc/61/52/94/987615294.db2.gz BMVHOQWJGDAGOT-KRWDZBQOSA-N -1 3 384.307 3.975 20 0 GHADHM CC(C)(C)C[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC001589751531 988054419 /nfs/dbraw/zinc/05/44/19/988054419.db2.gz FMZNFXOCQLRLBQ-QGZVFWFLSA-N -1 3 378.488 3.796 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC001599812349 988359353 /nfs/dbraw/zinc/35/93/53/988359353.db2.gz VCRDFHBNYLZXEY-CQSZACIVSA-N -1 3 379.507 3.593 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CC12CC(C(=O)[O-])C2 ZINC001589865585 988457466 /nfs/dbraw/zinc/45/74/66/988457466.db2.gz CKUAXPBKDBIQRK-YSJWXEPDSA-N -1 3 385.460 3.687 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(C(=O)[O-])c2Cl)C1(C)C ZINC001589985715 988884884 /nfs/dbraw/zinc/88/48/84/988884884.db2.gz UXFNVKMJQQQANY-AWEZNQCLSA-N -1 3 382.888 3.916 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001589994295 988910639 /nfs/dbraw/zinc/91/06/39/988910639.db2.gz KYVUDQNUPZNCEJ-HOTGVXAUSA-N -1 3 394.899 3.845 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001597762652 989198846 /nfs/dbraw/zinc/19/88/46/989198846.db2.gz IHZRXUKYJZFCRX-DZGCQCFKSA-N -1 3 380.485 3.523 20 0 GHADHM CCc1oc(CN[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597799859 989387179 /nfs/dbraw/zinc/38/71/79/989387179.db2.gz UYFYJBUECCNYCT-JXFKEZNVSA-N -1 3 378.469 3.562 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001590223864 989593634 /nfs/dbraw/zinc/59/36/34/989593634.db2.gz LDUWTUBAQBKGFG-QFIPXVFZSA-N -1 3 399.491 3.586 20 0 GHADHM Cc1cc(F)ccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545085205 1015508387 /nfs/dbraw/zinc/50/83/87/1015508387.db2.gz JMHRPNFHUKCWMT-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NCc2oc(Br)cc2C(=O)[O-])C12CCC2 ZINC001590379371 989887792 /nfs/dbraw/zinc/88/77/92/989887792.db2.gz QCKLAGJYFLRPDK-CHWSQXEVSA-N -1 3 386.286 3.956 20 0 GHADHM CN(C(=O)CN(C)C(C)(C)CC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001598019135 990205921 /nfs/dbraw/zinc/20/59/21/990205921.db2.gz JHKKLSLZCKJDRO-NRFANRHFSA-N -1 3 386.467 3.559 20 0 GHADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598229788 990930700 /nfs/dbraw/zinc/93/07/00/990930700.db2.gz WNVLGCNCXDEEHU-UHFFFAOYSA-N -1 3 381.432 3.727 20 0 GHADHM CC(C)[C@@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1(CO)CC=CC1 ZINC001591031256 991339762 /nfs/dbraw/zinc/33/97/62/991339762.db2.gz WPHGJXOCBXISTG-GOSISDBHSA-N -1 3 386.517 3.951 20 0 GHADHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001591331680 992307235 /nfs/dbraw/zinc/30/72/35/992307235.db2.gz QFNBTCXQPZYSDZ-UHFFFAOYSA-N -1 3 380.794 3.730 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001591396379 992458909 /nfs/dbraw/zinc/45/89/09/992458909.db2.gz DTRPUNYXMJQJBI-UHFFFAOYSA-N -1 3 384.476 3.883 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H](O)c1ccccc1Br ZINC001598509266 992548010 /nfs/dbraw/zinc/54/80/10/992548010.db2.gz MUUBYFJKSXTLIK-INIZCTEOSA-N -1 3 398.684 3.966 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])c(Br)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001598509391 992550630 /nfs/dbraw/zinc/55/06/30/992550630.db2.gz WDBDLFKLPYRXTG-INIZCTEOSA-N -1 3 398.684 3.966 20 0 GHADHM CN1CC[C@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001598586382 993389042 /nfs/dbraw/zinc/38/90/42/993389042.db2.gz NUTVGTRVFWFPOS-ICSRJNTNSA-N -1 3 399.516 3.820 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)[C@H](c1ccccc1)N(C)C ZINC001593115234 993799405 /nfs/dbraw/zinc/79/94/05/993799405.db2.gz MBJHAZNCGHDXIO-BFUOFWGJSA-N -1 3 380.448 3.679 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000468580937 1015819390 /nfs/dbraw/zinc/81/93/90/1015819390.db2.gz WBYNYQQQKFGRTD-UHFFFAOYSA-N -1 3 390.886 3.852 20 0 GHADHM Cc1nccn1-c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000468605311 1015838211 /nfs/dbraw/zinc/83/82/11/1015838211.db2.gz JJYCDNDDWJJJJN-UHFFFAOYSA-N -1 3 385.414 3.804 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])[C@H](O)c1c(F)cccc1Cl ZINC001593199390 994178816 /nfs/dbraw/zinc/17/88/16/994178816.db2.gz WTHWQMSEKWIRAK-CRTZDJKQSA-N -1 3 381.831 3.715 20 0 GHADHM C[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC001593232989 994389419 /nfs/dbraw/zinc/38/94/19/994389419.db2.gz YMUYSUGZNFACRE-KBXCAEBGSA-N -1 3 394.496 3.590 20 0 GHADHM C[C@@H](NCC1(c2ccccc2Cl)CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001593250873 994489522 /nfs/dbraw/zinc/48/95/22/994489522.db2.gz AYHJVTLCUSBMCM-GFCCVEGCSA-N -1 3 380.897 3.894 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccc(Br)cc2)c1 ZINC001599656811 994593801 /nfs/dbraw/zinc/59/38/01/994593801.db2.gz WTOULGDPLIGZLB-SFHVURJKSA-N -1 3 378.266 3.937 20 0 GHADHM C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cc(C(=O)[O-])cs1 ZINC001593299788 994724371 /nfs/dbraw/zinc/72/43/71/994724371.db2.gz WFBFBYQCAPNMJI-CYBMUJFWSA-N -1 3 381.457 3.944 20 0 GHADHM COc1cccc(N2CC[C@@H](N[C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)c1 ZINC001599679581 994956832 /nfs/dbraw/zinc/95/68/32/994956832.db2.gz XIRADSNECHXBLR-KZULUSFZSA-N -1 3 395.286 3.996 20 0 GHADHM COC(=O)[C@H](C)[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001598690030 995050151 /nfs/dbraw/zinc/05/01/51/995050151.db2.gz VCYPPJTUKVLDOS-KUHUBIRLSA-N -1 3 378.428 3.573 20 0 GHADHM C[C@@H](Oc1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1)C(=O)[O-] ZINC001593617283 995850213 /nfs/dbraw/zinc/85/02/13/995850213.db2.gz FCDIANRYVUEQRY-OAHLLOKOSA-N -1 3 385.460 3.784 20 0 GHADHM C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593734547 996326106 /nfs/dbraw/zinc/32/61/06/996326106.db2.gz ZREJCDMFPSZKCU-ZOCIIQOWSA-N -1 3 395.434 3.661 20 0 GHADHM COc1cccc(N2CC[C@H](CNC(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000468797252 1016044148 /nfs/dbraw/zinc/04/41/48/1016044148.db2.gz CIOAAQVSACCSSR-QGZVFWFLSA-N -1 3 386.467 3.505 20 0 GHADHM COC(=O)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598872753 996745431 /nfs/dbraw/zinc/74/54/31/996745431.db2.gz BCJWPNAWEOSNEJ-KRWDZBQOSA-N -1 3 382.243 3.624 20 0 GHADHM CC1(C)CCC[C@H]1N(CC(=O)Nc1cccc(C(=O)[O-])n1)Cc1ccccc1 ZINC001593903257 996771316 /nfs/dbraw/zinc/77/13/16/996771316.db2.gz ODUKKVMEANRJKW-GOSISDBHSA-N -1 3 381.476 3.799 20 0 GHADHM COC(=O)c1cc(CN(C)CCCOc2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC001598930159 997734688 /nfs/dbraw/zinc/73/46/88/997734688.db2.gz XXXJNBWCJTWSOE-UHFFFAOYSA-N -1 3 391.851 3.726 20 0 GHADHM COC(=O)c1cc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1C ZINC001598933179 997808840 /nfs/dbraw/zinc/80/88/40/997808840.db2.gz XKQGKYTWKXNHDT-INIZCTEOSA-N -1 3 381.350 3.716 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)O1 ZINC001594100509 998108959 /nfs/dbraw/zinc/10/89/59/998108959.db2.gz QVCRXKHKIMKTBM-HXUWFJFHSA-N -1 3 385.504 3.927 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(-n3cccn3)c(F)c2)C(=O)[O-])c1 ZINC001599452704 998131687 /nfs/dbraw/zinc/13/16/87/998131687.db2.gz GCKCEDYXXMBWQC-XCLFUZPHSA-N -1 3 399.422 3.505 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc3c1CCC3)CC2 ZINC001599465036 998344528 /nfs/dbraw/zinc/34/45/28/998344528.db2.gz CSCZOVLVFZIHLC-FQEVSTJZSA-N -1 3 381.472 3.767 20 0 GHADHM COC[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001599172537 998626044 /nfs/dbraw/zinc/62/60/44/998626044.db2.gz FGLWUQYNEKYAMY-UGSOOPFHSA-N -1 3 390.867 3.733 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2csc(C(=O)[O-])c2)[C@H]1C ZINC001594307541 999188320 /nfs/dbraw/zinc/18/83/20/999188320.db2.gz BAGIZWIIDIHTLM-IPYPFGDCSA-N -1 3 382.526 3.960 20 0 GHADHM C[C@@H](c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1)N1CCOCC1 ZINC000469026810 1016350756 /nfs/dbraw/zinc/35/07/56/1016350756.db2.gz UATRPXBRILIAFK-INIZCTEOSA-N -1 3 386.467 3.886 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@H]4C[C@@H]4C)no3)ccc2C)cc1 ZINC000545775339 1016363420 /nfs/dbraw/zinc/36/34/20/1016363420.db2.gz SQUZCLMEJVLQHP-GUYCJALGSA-N -1 3 399.472 3.978 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc([C@@H]4C[C@@H]4C)no3)ccc2C)cc1 ZINC000545775341 1016363535 /nfs/dbraw/zinc/36/35/35/1016363535.db2.gz SQUZCLMEJVLQHP-SUMWQHHRSA-N -1 3 399.472 3.978 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1nc2ccccc2n1C(F)F ZINC000469078242 1016427269 /nfs/dbraw/zinc/42/72/69/1016427269.db2.gz PEQKVHMYLQDRRZ-UHFFFAOYSA-N -1 3 391.393 3.958 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000469142536 1016548725 /nfs/dbraw/zinc/54/87/25/1016548725.db2.gz FFWZFFSRBXNKBB-JOCHJYFZSA-N -1 3 399.441 3.975 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000470576217 1016825389 /nfs/dbraw/zinc/82/53/89/1016825389.db2.gz FVWWWEWFPCZIPC-AWEZNQCLSA-N -1 3 390.480 3.935 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)NCCc3ccc(C(F)(F)F)nc3)c2c1 ZINC001154532762 1032169433 /nfs/dbraw/zinc/16/94/33/1032169433.db2.gz VGAAPORKFYNZQY-UHFFFAOYSA-N -1 3 375.350 3.635 20 0 GHADHM O=C(NCC1CCCC1)[C@@H]1CC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001277162101 1032169961 /nfs/dbraw/zinc/16/99/61/1032169961.db2.gz YPHJZURCZPCZJG-KRWDZBQOSA-N -1 3 376.928 3.954 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC001226903969 1032188574 /nfs/dbraw/zinc/18/85/74/1032188574.db2.gz ZSVJAQHPIWQXNA-SFHVURJKSA-N -1 3 393.413 3.592 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1C ZINC001154794868 1032286426 /nfs/dbraw/zinc/28/64/26/1032286426.db2.gz YHHQJGZZHUGIBU-HUUCEWRRSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(Nc1ccc2nc(OC[C@@H]3CCO3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001227352340 1032384400 /nfs/dbraw/zinc/38/44/00/1032384400.db2.gz HTSGWNJBALQHGG-INIZCTEOSA-N -1 3 389.411 3.842 20 0 GHADHM O=C(Nc1ccc2nc(OC[C@H]3CCO3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001227352341 1032384901 /nfs/dbraw/zinc/38/49/01/1032384901.db2.gz HTSGWNJBALQHGG-MRXNPFEDSA-N -1 3 389.411 3.842 20 0 GHADHM Cc1cc(C)c(NC(=O)c2nc3nc(Cl)ccc3[n-]2)c(Br)n1 ZINC001155170823 1032442527 /nfs/dbraw/zinc/44/25/27/1032442527.db2.gz MKHYGNXKXQXIIX-UHFFFAOYSA-N -1 3 380.633 3.638 20 0 GHADHM Cc1cc(C)c(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)c(Br)n1 ZINC001155170823 1032442531 /nfs/dbraw/zinc/44/25/31/1032442531.db2.gz MKHYGNXKXQXIIX-UHFFFAOYSA-N -1 3 380.633 3.638 20 0 GHADHM CCOC(=O)[C@H](C)[C@@H](Oc1c([O-])cc(Br)cc1F)C(F)(F)F ZINC001227586607 1032474689 /nfs/dbraw/zinc/47/46/89/1032474689.db2.gz BRRDVRKDDIQASW-KSBSHMNSSA-N -1 3 389.139 3.803 20 0 GHADHM O=c1c2ccccc2nc2n1CC[C@@H]2Oc1c([O-])cc(Br)cc1F ZINC001227587734 1032474909 /nfs/dbraw/zinc/47/49/09/1032474909.db2.gz MFGBEVIAGWJXFX-AWEZNQCLSA-N -1 3 391.196 3.528 20 0 GHADHM C[C@H]1[C@H](Oc2c([O-])cc(Br)cc2F)CN1C(=O)OC(C)(C)C ZINC001227590734 1032475681 /nfs/dbraw/zinc/47/56/81/1032475681.db2.gz KPQFLQXOHOPWDN-QPUJVOFHSA-N -1 3 376.222 3.680 20 0 GHADHM CC(C)(C)OC(=O)CC1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1 ZINC001155493187 1032562049 /nfs/dbraw/zinc/56/20/49/1032562049.db2.gz HYWWFCLHWKVUOJ-UHFFFAOYSA-N -1 3 393.887 3.912 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000928881398 1017575225 /nfs/dbraw/zinc/57/52/25/1017575225.db2.gz PACZWISSHUDQMX-CYBMUJFWSA-N -1 3 386.883 3.677 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)c2ccccc2O1 ZINC000560420288 1017619842 /nfs/dbraw/zinc/61/98/42/1017619842.db2.gz WKFBMQMVLOLXEW-IAQYHMDHSA-N -1 3 391.265 3.866 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1cccc2cnccc21 ZINC000560822464 1017728050 /nfs/dbraw/zinc/72/80/50/1017728050.db2.gz RHQGQGLYADYCQH-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000560935919 1017756837 /nfs/dbraw/zinc/75/68/37/1017756837.db2.gz ZDNPRUJAKFKDEK-UHFFFAOYSA-N -1 3 376.478 3.869 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001228130467 1032799231 /nfs/dbraw/zinc/79/92/31/1032799231.db2.gz BILGUMRMFMZKLD-CQSZACIVSA-N -1 3 391.464 3.852 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CCCC[C@H]1C1CC1 ZINC000566259901 1019221587 /nfs/dbraw/zinc/22/15/87/1019221587.db2.gz GFELOQNMQUDIEX-QWRGUYRKSA-N -1 3 394.235 3.785 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[O-] ZINC000569124940 1019466857 /nfs/dbraw/zinc/46/68/57/1019466857.db2.gz ZFXMVAICTOFYCB-GDBMZVCRSA-N -1 3 377.444 3.927 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@](O)(C(F)(F)F)CC3)c2c1 ZINC000576469027 1020017300 /nfs/dbraw/zinc/01/73/00/1020017300.db2.gz MMONUFDHIADQAU-GOSISDBHSA-N -1 3 382.382 3.834 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000576942977 1020090779 /nfs/dbraw/zinc/09/07/79/1020090779.db2.gz USMMFPROZYMMDA-DQLDELGASA-N -1 3 394.515 3.939 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2(C)CCCC2)no1 ZINC000577247632 1020154090 /nfs/dbraw/zinc/15/40/90/1020154090.db2.gz OVGAWTAXSYSMFG-LBPRGKRZSA-N -1 3 383.901 3.885 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187557803 1020290152 /nfs/dbraw/zinc/29/01/52/1020290152.db2.gz PWERKVKZDAJLDF-UHFFFAOYSA-N -1 3 376.800 3.591 20 0 GHADHM CC[C@H](C)c1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000626651325 1020471933 /nfs/dbraw/zinc/47/19/33/1020471933.db2.gz SPTKVJLIXOGNMR-INIZCTEOSA-N -1 3 381.476 3.896 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000081957346 1020968496 /nfs/dbraw/zinc/96/84/96/1020968496.db2.gz MWVKYTNHZVNBAQ-HNNXBMFYSA-N -1 3 376.497 3.674 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1cccc(Cl)c1F ZINC000642376210 1021090361 /nfs/dbraw/zinc/09/03/61/1021090361.db2.gz NJFFSFCLQALWKI-MRXNPFEDSA-N -1 3 382.888 3.595 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001156286134 1032958730 /nfs/dbraw/zinc/95/87/30/1032958730.db2.gz ZDXKYLKCUWJXEK-JTQLQIEISA-N -1 3 382.226 3.513 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001156284656 1032958788 /nfs/dbraw/zinc/95/87/88/1032958788.db2.gz KVFBYVOVHNWMAC-GFCCVEGCSA-N -1 3 385.880 3.936 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000834653336 1021346893 /nfs/dbraw/zinc/34/68/93/1021346893.db2.gz BBJUUVKWHDSADW-ZTNFWEORSA-N -1 3 398.528 3.654 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccccc3C(C)C)c2)[n-]1 ZINC000834713919 1021398096 /nfs/dbraw/zinc/39/80/96/1021398096.db2.gz ZNXNYYHFXRZSCY-UHFFFAOYSA-N -1 3 392.459 3.702 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccccc3C(C)C)c2)n[n-]1 ZINC000834713919 1021398115 /nfs/dbraw/zinc/39/81/15/1021398115.db2.gz ZNXNYYHFXRZSCY-UHFFFAOYSA-N -1 3 392.459 3.702 20 0 GHADHM CCCOc1ccc(OCCN2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1 ZINC000903922214 1021653654 /nfs/dbraw/zinc/65/36/54/1021653654.db2.gz ZMFIEXSQBBLJOD-UHFFFAOYSA-N -1 3 375.387 3.583 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2c([O-])ccc3c(C)cc(=O)oc32)c2ccccc2O1 ZINC001228623612 1033013918 /nfs/dbraw/zinc/01/39/18/1033013918.db2.gz SSHUHNYGVURKGY-QZTJIDSGSA-N -1 3 396.395 3.641 20 0 GHADHM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001140519124 1021910025 /nfs/dbraw/zinc/91/00/25/1021910025.db2.gz RWGPPQZQEMICEZ-CQSZACIVSA-N -1 3 380.510 3.635 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CN(C)Cc1cccc([O-])c1Br)C2 ZINC001140552836 1021956036 /nfs/dbraw/zinc/95/60/36/1021956036.db2.gz LKJCKMAVPMVUSA-CQSZACIVSA-N -1 3 392.293 3.944 20 0 GHADHM COc1cccc(O[C@H]2CCCN(Cc3cccc([O-])c3Br)C2)n1 ZINC001140555695 1021959387 /nfs/dbraw/zinc/95/93/87/1021959387.db2.gz RXUOOVCDTDDMTD-AWEZNQCLSA-N -1 3 393.281 3.602 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000681733799 1022321581 /nfs/dbraw/zinc/32/15/81/1022321581.db2.gz QXSFSILZRCDYNQ-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228699020 1033053467 /nfs/dbraw/zinc/05/34/67/1033053467.db2.gz BSQPQMQIYJVRDM-QGZVFWFLSA-N -1 3 393.447 3.738 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2n[n-]c(-c3ccncc3)n2)C(F)(F)F)c1 ZINC001228700140 1033054752 /nfs/dbraw/zinc/05/47/52/1033054752.db2.gz OGZJSHYSVZNCBA-CQSZACIVSA-N -1 3 392.337 3.726 20 0 GHADHM COc1cc(C(=O)OCc2ccc(F)c(Br)c2)cc(OC)c1[O-] ZINC000754271652 1022574313 /nfs/dbraw/zinc/57/43/13/1022574313.db2.gz LZJJAZFDCZHZLE-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000754440375 1022709669 /nfs/dbraw/zinc/70/96/69/1022709669.db2.gz GJMLUIIMMUJUNL-CYBMUJFWSA-N -1 3 387.274 3.643 20 0 GHADHM CCOC(=O)CN(Cc1ccc(F)cc1)Cc1cccc([O-])c1Br ZINC001204762304 1033074616 /nfs/dbraw/zinc/07/46/16/1033074616.db2.gz BKLWMAGLPNSIMJ-UHFFFAOYSA-N -1 3 396.256 3.859 20 0 GHADHM O=C(c1ccccc1)N1CCC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140888499 1022804895 /nfs/dbraw/zinc/80/48/95/1022804895.db2.gz FZSKYDPMZSQUMK-UHFFFAOYSA-N -1 3 386.442 3.799 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(Cc3ccc(C(=O)[O-])o3)C2)C1 ZINC001140943811 1022948192 /nfs/dbraw/zinc/94/81/92/1022948192.db2.gz CQWVFLUMWLYBPG-FQEVSTJZSA-N -1 3 378.469 3.591 20 0 GHADHM O=C1OC[C@@H]2[C@H](N(Cc3ccccc3)Cc3cc(F)c([O-])c(F)c3)CCCN12 ZINC001140991358 1023105115 /nfs/dbraw/zinc/10/51/15/1023105115.db2.gz NTHMXKANQJOWLF-RTBURBONSA-N -1 3 388.414 3.656 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000836597709 1023156848 /nfs/dbraw/zinc/15/68/48/1023156848.db2.gz HNGLXQZFAPNMCX-UHFFFAOYSA-N -1 3 391.493 3.746 20 0 GHADHM C[C@@H](C(=O)[N-]OCc1ccc(C(F)(F)F)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000755374744 1023220519 /nfs/dbraw/zinc/22/05/19/1023220519.db2.gz JJGWTMOSCRENFB-NEPJUHHUSA-N -1 3 390.402 3.803 20 0 GHADHM CC[C@@H]1CN(C)c2ccccc2CN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000755932736 1023441437 /nfs/dbraw/zinc/44/14/37/1023441437.db2.gz IWGIFBWRQIOKGO-MRXNPFEDSA-N -1 3 380.521 3.691 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NC/C=C\c2ccc(F)cc2F)c1OC ZINC000756336765 1023595033 /nfs/dbraw/zinc/59/50/33/1023595033.db2.gz KLFHZANHRVTZLT-VGOKWCNXSA-N -1 3 377.387 3.801 20 0 GHADHM COCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000756347927 1023600012 /nfs/dbraw/zinc/60/00/12/1023600012.db2.gz JMODBQSWZBFZKE-QGZVFWFLSA-N -1 3 383.366 3.646 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000756946226 1023879739 /nfs/dbraw/zinc/87/97/39/1023879739.db2.gz AZVSHQJYQJBAGM-NSHDSACASA-N -1 3 396.340 3.891 20 0 GHADHM COC(=O)[C@H](C)[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757048544 1023919323 /nfs/dbraw/zinc/91/93/23/1023919323.db2.gz XQUGWSIPVMWBFT-BDJLRTHQSA-N -1 3 383.341 3.723 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000837242522 1024277773 /nfs/dbraw/zinc/27/77/73/1024277773.db2.gz VYNCMOVZMBHUPB-HOCLYGCPSA-N -1 3 376.497 3.578 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001228959279 1033200930 /nfs/dbraw/zinc/20/09/30/1033200930.db2.gz XCTCDIWFPRDBGD-CYBMUJFWSA-N -1 3 377.437 3.633 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2ccc(I)cc2[O-])c1 ZINC001138176888 1024306829 /nfs/dbraw/zinc/30/68/29/1024306829.db2.gz XOWHPTDEANENJC-UHFFFAOYSA-N -1 3 381.213 3.795 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837384393 1024405720 /nfs/dbraw/zinc/40/57/20/1024405720.db2.gz MSYYEEDQHXZRKW-UHFFFAOYSA-N -1 3 390.439 3.909 20 0 GHADHM O=C(Cc1csc(Cc2ccc(F)cc2)n1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837472963 1024484919 /nfs/dbraw/zinc/48/49/19/1024484919.db2.gz YUVAZBUGWSSRHK-UHFFFAOYSA-N -1 3 399.447 3.532 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000837538346 1024533497 /nfs/dbraw/zinc/53/34/97/1024533497.db2.gz CQTQKSYXIVBHPQ-UONOGXRCSA-N -1 3 394.349 3.805 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC4(CCCNC4=O)CC3)cc2)c1 ZINC001141357572 1024690003 /nfs/dbraw/zinc/69/00/03/1024690003.db2.gz VVFAFTAAFDQBMM-UHFFFAOYSA-N -1 3 378.472 3.544 20 0 GHADHM CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000831873718 1024961448 /nfs/dbraw/zinc/96/14/48/1024961448.db2.gz OBHXWAUNIJOMBS-NRFANRHFSA-N -1 3 393.462 3.576 20 0 GHADHM Cc1ccc(C2=NO[C@H](C(=O)Nc3c([O-])ccc(Br)c3C)C2)cc1 ZINC001141436595 1025052685 /nfs/dbraw/zinc/05/26/85/1025052685.db2.gz BNGABIWFVWBZDV-INIZCTEOSA-N -1 3 389.249 3.903 20 0 GHADHM O=C(Nc1ccc([O-])cc1Br)c1cc(=O)c2ccc(F)cc2o1 ZINC001156830084 1033262393 /nfs/dbraw/zinc/26/23/93/1033262393.db2.gz NZMZSGNPXFGQRC-UHFFFAOYSA-N -1 3 378.153 3.653 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000832151550 1025262271 /nfs/dbraw/zinc/26/22/71/1025262271.db2.gz IPLQHUSBHJFOID-GFCCVEGCSA-N -1 3 399.270 3.547 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000832151550 1025262285 /nfs/dbraw/zinc/26/22/85/1025262285.db2.gz IPLQHUSBHJFOID-GFCCVEGCSA-N -1 3 399.270 3.547 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000838793445 1025370478 /nfs/dbraw/zinc/37/04/78/1025370478.db2.gz AHLMXFNILKGDDJ-UHFFFAOYSA-N -1 3 399.329 3.891 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)C1CCCCC1 ZINC001162687474 1025874060 /nfs/dbraw/zinc/87/40/60/1025874060.db2.gz UFGLNHQNODDOPR-ZDUSSCGKSA-N -1 3 395.459 3.691 20 0 GHADHM CCc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c([O-])c1 ZINC001162927099 1025969259 /nfs/dbraw/zinc/96/92/59/1025969259.db2.gz WYLHTWJCSPFUNM-KFWWJZLASA-N -1 3 376.497 3.813 20 0 GHADHM CN(CCc1ccc(F)cc1)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139239802 1026087210 /nfs/dbraw/zinc/08/72/10/1026087210.db2.gz CJLSNRGUIKFNFG-UHFFFAOYSA-N -1 3 396.256 3.726 20 0 GHADHM COc1cccc(CN2CC[C@@H](c3ccccc3Cl)C2)c1OCC(=O)[O-] ZINC001139271426 1026119285 /nfs/dbraw/zinc/11/92/85/1026119285.db2.gz HOJSPGBEUUGDMF-CQSZACIVSA-N -1 3 375.852 3.802 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1cc(Cl)nc(C2CCC2)n1 ZINC001163604884 1026247958 /nfs/dbraw/zinc/24/79/58/1026247958.db2.gz HBLJNBDMVATHBU-MNOVXSKESA-N -1 3 375.860 3.573 20 0 GHADHM CN(C[Si](C)(C)C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001164221055 1026456857 /nfs/dbraw/zinc/45/68/57/1026456857.db2.gz HQZKZNPVLRWXHV-IBGZPJMESA-N -1 3 384.552 3.589 20 0 GHADHM Cc1nc(-c2cccnc2)nc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1C ZINC001164350274 1026492599 /nfs/dbraw/zinc/49/25/99/1026492599.db2.gz HZYOBLOAPZCDOG-JCNLHEQBSA-N -1 3 376.464 3.789 20 0 GHADHM Cc1ccc(-n2nnnc2SCc2cc(=O)[n-]c(-c3ccccc3)n2)c(C)c1 ZINC001164480614 1026523035 /nfs/dbraw/zinc/52/30/35/1026523035.db2.gz GFYJFJXTVUSLAF-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM O=C([N-]Oc1ccc(F)cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001165801137 1026840891 /nfs/dbraw/zinc/84/08/91/1026840891.db2.gz VORMTRGMIOMOAF-SFHVURJKSA-N -1 3 382.357 3.690 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC001166312338 1026971071 /nfs/dbraw/zinc/97/10/71/1026971071.db2.gz KTCPGMSVDJGICG-UHFFFAOYSA-N -1 3 391.349 3.680 20 0 GHADHM CC(C)(C)OC(=O)N1CCOc2ccc(Nc3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC001209851282 1027243613 /nfs/dbraw/zinc/24/36/13/1027243613.db2.gz MEHMGRPVPBCYHE-UHFFFAOYSA-N -1 3 384.436 3.937 20 0 GHADHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001209890544 1027263991 /nfs/dbraw/zinc/26/39/91/1027263991.db2.gz CFBVCMKRRWKJQT-CQSZACIVSA-N -1 3 387.851 3.824 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(C)(C)c1ccccc1 ZINC001210000294 1027307768 /nfs/dbraw/zinc/30/77/68/1027307768.db2.gz OJQCOYAGYOIXPI-HNNXBMFYSA-N -1 3 393.896 3.911 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)c(F)cc1F ZINC001210381308 1027479695 /nfs/dbraw/zinc/47/96/95/1027479695.db2.gz FNGODYCIAHKIHR-GFCCVEGCSA-N -1 3 394.226 3.992 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2C)c(C)c1Cl ZINC001210526054 1027544229 /nfs/dbraw/zinc/54/42/29/1027544229.db2.gz QOLQEXCTFBXLCM-ONGXEEELSA-N -1 3 393.958 3.990 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(c2c(F)cccc2F)CCC1 ZINC000840511823 1027590597 /nfs/dbraw/zinc/59/05/97/1027590597.db2.gz ACNUDSRFUPPYTD-UHFFFAOYSA-N -1 3 375.419 3.744 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCCC2)c1 ZINC001210710211 1027615985 /nfs/dbraw/zinc/61/59/85/1027615985.db2.gz HTILRFKYECBQRB-KRWDZBQOSA-N -1 3 397.493 3.884 20 0 GHADHM CC1(NC(=S)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000840703235 1027743417 /nfs/dbraw/zinc/74/34/17/1027743417.db2.gz KNEYPBUYMCGZFD-UHFFFAOYSA-N -1 3 393.509 3.856 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC001142019879 1027895265 /nfs/dbraw/zinc/89/52/65/1027895265.db2.gz QOXHCVGRDRSHII-UHFFFAOYSA-N -1 3 378.411 3.869 20 0 GHADHM CC(C)Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC001142019879 1027895289 /nfs/dbraw/zinc/89/52/89/1027895289.db2.gz QOXHCVGRDRSHII-UHFFFAOYSA-N -1 3 378.411 3.869 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(OC(C)(C)C)n1 ZINC001211399598 1027942163 /nfs/dbraw/zinc/94/21/63/1027942163.db2.gz SVOZKOLZQOXMSG-UHFFFAOYSA-N -1 3 392.452 3.931 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)c(C)c1Cl ZINC001213249379 1028069702 /nfs/dbraw/zinc/06/97/02/1028069702.db2.gz UFIJMBWVXKYYEO-WHXUTIOJSA-N -1 3 397.921 3.692 20 0 GHADHM Cc1cccc(CN2CC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC001213259487 1028075353 /nfs/dbraw/zinc/07/53/53/1028075353.db2.gz LUPUZRCVQVPMKT-INIZCTEOSA-N -1 3 399.343 3.855 20 0 GHADHM O=c1cc(-c2nc(-c3ccc(Br)c(F)c3F)no2)nc(C2CC2)[n-]1 ZINC001213261119 1028075495 /nfs/dbraw/zinc/07/54/95/1028075495.db2.gz GDDXJPSNPMVQEL-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001213318737 1028105822 /nfs/dbraw/zinc/10/58/22/1028105822.db2.gz KTMDEKLWWWKVBZ-UHFFFAOYSA-N -1 3 396.372 3.915 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@H]2C1 ZINC001142106019 1028114865 /nfs/dbraw/zinc/11/48/65/1028114865.db2.gz WRWXYTQTTQUVIG-TXEJJXNPSA-N -1 3 387.307 3.998 20 0 GHADHM Cc1noc([C@H]2C[C@@H]3CCN(Cc4c(Cl)cc([O-])cc4Cl)C[C@H]3O2)n1 ZINC001142109094 1028126742 /nfs/dbraw/zinc/12/67/42/1028126742.db2.gz IKPRFBZJJPVRGZ-AMKSKSKJSA-N -1 3 384.263 3.743 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)c1cccc2ccccc21 ZINC001213738139 1028356322 /nfs/dbraw/zinc/35/63/22/1028356322.db2.gz UPJHTSKXERIBJS-IBGZPJMESA-N -1 3 387.501 3.554 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)cc1Cl ZINC001213881539 1028426465 /nfs/dbraw/zinc/42/64/65/1028426465.db2.gz QTDRQPOAFFLAKP-UHFFFAOYSA-N -1 3 379.092 3.617 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)cc(Br)c3)no2)[n-]1 ZINC001213974838 1028483429 /nfs/dbraw/zinc/48/34/29/1028483429.db2.gz CWAKHYYVFSMWDL-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(C(F)(F)F)ccc3OC)no2)[n-]1 ZINC001213975228 1028485214 /nfs/dbraw/zinc/48/52/14/1028485214.db2.gz YFDNZCONFRJQFM-UHFFFAOYSA-N -1 3 381.310 3.936 20 0 GHADHM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(N)cc3)cc2)c1C ZINC001214151431 1028570582 /nfs/dbraw/zinc/57/05/82/1028570582.db2.gz VHKGWOHJLXIDQB-UHFFFAOYSA-N -1 3 395.484 3.939 20 0 GHADHM O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)Nc1ccc(F)c([O-])c1 ZINC001142425666 1028875654 /nfs/dbraw/zinc/87/56/54/1028875654.db2.gz XOTUBNFPJKLUHV-UHFFFAOYSA-N -1 3 377.371 3.836 20 0 GHADHM CCCOc1cc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(Cl)cn1 ZINC001214733371 1028889413 /nfs/dbraw/zinc/88/94/13/1028889413.db2.gz XHZOQUNAXGHOHB-UHFFFAOYSA-N -1 3 396.875 3.705 20 0 GHADHM COc1ccc(Cl)cc1CN[C@@H](CSCCc1ccccc1)C(=O)[O-] ZINC000841800227 1028945897 /nfs/dbraw/zinc/94/58/97/1028945897.db2.gz JMPYEDURADESNX-KRWDZBQOSA-N -1 3 379.909 3.867 20 0 GHADHM COc1cc(-c2nc(-c3ccc(Cl)c(OC)c3F)no2)cc(OC)c1[O-] ZINC001215208694 1029090195 /nfs/dbraw/zinc/09/01/95/1029090195.db2.gz YLEIKBDQZDHUCL-UHFFFAOYSA-N -1 3 380.759 3.928 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2ccc(I)cc2F)no1 ZINC001215302221 1029139798 /nfs/dbraw/zinc/13/97/98/1029139798.db2.gz VIVOSDQWANSDLO-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CC(=O)c1cc(-c2nc(-c3ccccc3CN3CCSC3=O)no2)ccc1[O-] ZINC001215365831 1029176088 /nfs/dbraw/zinc/17/60/88/1029176088.db2.gz YDDWAERXFPIDDV-UHFFFAOYSA-N -1 3 395.440 3.981 20 0 GHADHM COc1c(Cl)ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1F ZINC001215448194 1029213385 /nfs/dbraw/zinc/21/33/85/1029213385.db2.gz XCRJGJNZXGHQKI-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM O=C(c1c(F)cc(Nc2ncc(Br)cc2[O-])cc1F)N1CCCC1 ZINC001215669583 1029336275 /nfs/dbraw/zinc/33/62/75/1029336275.db2.gz SSRGTSXMALOKDD-UHFFFAOYSA-N -1 3 398.207 3.808 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(C(F)(F)F)ccc1CO ZINC001215687179 1029348335 /nfs/dbraw/zinc/34/83/35/1029348335.db2.gz VBKHUTRDWWZMCO-UHFFFAOYSA-N -1 3 399.394 3.559 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1cc(C(F)(F)F)ccc1CO ZINC001215687179 1029348348 /nfs/dbraw/zinc/34/83/48/1029348348.db2.gz VBKHUTRDWWZMCO-UHFFFAOYSA-N -1 3 399.394 3.559 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)c2c(=O)n1C ZINC001142821508 1029531448 /nfs/dbraw/zinc/53/14/48/1029531448.db2.gz KPOZXXVXKSNUKA-UHFFFAOYSA-N -1 3 393.834 3.538 20 0 GHADHM COc1ccc(SCCCC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1 ZINC001142905400 1029667662 /nfs/dbraw/zinc/66/76/62/1029667662.db2.gz DNEQIGNBIZLXFV-UHFFFAOYSA-N -1 3 391.493 3.885 20 0 GHADHM COc1ccc(SCCCC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1 ZINC001142905400 1029667664 /nfs/dbraw/zinc/66/76/64/1029667664.db2.gz DNEQIGNBIZLXFV-UHFFFAOYSA-N -1 3 391.493 3.885 20 0 GHADHM COc1ccc(OC)c(CCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001143085921 1029835858 /nfs/dbraw/zinc/83/58/58/1029835858.db2.gz STZBKLPPVISPMP-UHFFFAOYSA-N -1 3 380.238 3.743 20 0 GHADHM Cc1ccc(C[C@H](NCc2cc(Br)cnc2Cl)C(=O)[O-])cc1C ZINC000843303790 1029901056 /nfs/dbraw/zinc/90/10/56/1029901056.db2.gz HBGWHXVWMOGRDI-HNNXBMFYSA-N -1 3 397.700 3.900 20 0 GHADHM COc1ccc(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c([O-])c1OC ZINC001216765230 1029924563 /nfs/dbraw/zinc/92/45/63/1029924563.db2.gz ASQWXEYCVNTYOP-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc1Br ZINC001216958971 1030031209 /nfs/dbraw/zinc/03/12/09/1030031209.db2.gz LERRNNYQXKHWRH-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCC(COc3cccnc3)CC2)c1[O-] ZINC001149197976 1030088273 /nfs/dbraw/zinc/08/82/73/1030088273.db2.gz BNKZYPSIQOZEOY-UHFFFAOYSA-N -1 3 377.444 3.575 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(C(=O)c2c([O-])c(C)nc3ccccc32)C1 ZINC001149198871 1030088964 /nfs/dbraw/zinc/08/89/64/1030088964.db2.gz XHVFAOPRTSMQPY-INIZCTEOSA-N -1 3 392.455 3.941 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(C(=O)c2c([O-])c(C)nc3ccccc32)C1 ZINC001149198872 1030089253 /nfs/dbraw/zinc/08/92/53/1030089253.db2.gz XHVFAOPRTSMQPY-MRXNPFEDSA-N -1 3 392.455 3.941 20 0 GHADHM COc1cc(Cl)cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1 ZINC001217019307 1030097537 /nfs/dbraw/zinc/09/75/37/1030097537.db2.gz PWZFABQCNBFCET-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM Cc1nc(-c2noc(-c3cc([O-])cc(I)c3)n2)ccc1F ZINC001217066149 1030138932 /nfs/dbraw/zinc/13/89/32/1030138932.db2.gz WSTCCZZNXBHXTL-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM O=C(NCCc1c(F)cccc1Cl)c1c[n-]c2c(Cl)cccc2c1=O ZINC001149387557 1030159119 /nfs/dbraw/zinc/15/91/19/1030159119.db2.gz VDTIYWCAOBKPLO-UHFFFAOYSA-N -1 3 379.218 3.947 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2ccnc(OC)c2F)no1 ZINC001217298815 1030291332 /nfs/dbraw/zinc/29/13/32/1030291332.db2.gz DPPYMFNWOCAPSS-UHFFFAOYSA-N -1 3 382.351 3.604 20 0 GHADHM COc1ncc(-c2noc(-c3[n-]nc4c3cccc4F)n2)cc1Br ZINC001217322971 1030309395 /nfs/dbraw/zinc/30/93/95/1030309395.db2.gz KODWADHNGUOJNU-UHFFFAOYSA-N -1 3 390.172 3.585 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc3c(s2)CCN3C(=O)OC(C)(C)C)n1 ZINC001149934484 1030351637 /nfs/dbraw/zinc/35/16/37/1030351637.db2.gz IIVAOAJHDSPVFP-UHFFFAOYSA-N -1 3 375.450 3.707 20 0 GHADHM O=C([N-]c1ccnc(Cl)c1Cl)c1nc2c(Cl)nc3ccccc3n2n1 ZINC001149971855 1030365172 /nfs/dbraw/zinc/36/51/72/1030365172.db2.gz WNFNMUNGBGFLDK-UHFFFAOYSA-N -1 3 393.621 3.885 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3c([O-])cnc4ccccc43)n2)n1 ZINC001217442280 1030396160 /nfs/dbraw/zinc/39/61/60/1030396160.db2.gz UUXKSBYTCXIALX-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4cccnc4OC)no3)c1[O-])CCCC2 ZINC001217446887 1030400776 /nfs/dbraw/zinc/40/07/76/1030400776.db2.gz IJZFJFADQODZBF-UHFFFAOYSA-N -1 3 395.415 3.568 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cccc(-n5cccn5)c4)no3)c2c1 ZINC001217499982 1030442756 /nfs/dbraw/zinc/44/27/56/1030442756.db2.gz PLEQDLJVKNAZFQ-UHFFFAOYSA-N -1 3 385.383 3.852 20 0 GHADHM CN1CCN(c2ccc(-c3noc(-c4ccc5occc5c4[O-])n3)cc2)CC1 ZINC001217513552 1030456521 /nfs/dbraw/zinc/45/65/21/1030456521.db2.gz AKKUGUDGAURCPN-UHFFFAOYSA-N -1 3 376.416 3.607 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H]3CC(F)(F)C3(F)F)nc21 ZINC001223404558 1030558919 /nfs/dbraw/zinc/55/89/19/1030558919.db2.gz SUXVIXWXQSMFKR-RTHLEPHNSA-N -1 3 384.688 3.728 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H]3CC(F)(F)C3(F)F)[n-]c21 ZINC001223404558 1030558925 /nfs/dbraw/zinc/55/89/25/1030558925.db2.gz SUXVIXWXQSMFKR-RTHLEPHNSA-N -1 3 384.688 3.728 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001217637207 1030559823 /nfs/dbraw/zinc/55/98/23/1030559823.db2.gz VQEABVMUYRBVBY-UHFFFAOYSA-N -1 3 377.404 3.759 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001217636640 1030559889 /nfs/dbraw/zinc/55/98/89/1030559889.db2.gz LINKPXRWPKMLEU-UHFFFAOYSA-N -1 3 387.355 3.722 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000130989216 1030763123 /nfs/dbraw/zinc/76/31/23/1030763123.db2.gz ZDWKBSBOMKNLKD-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3c(F)cccc3C2)s1 ZINC001151144050 1030781992 /nfs/dbraw/zinc/78/19/92/1030781992.db2.gz HEUWHUNHRQQWCC-UHFFFAOYSA-N -1 3 377.441 3.828 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCc3ccc(Cl)cc32)c([O-])c1 ZINC001151443542 1030910730 /nfs/dbraw/zinc/91/07/30/1030910730.db2.gz HWOSVLKKPUZRHR-SFHVURJKSA-N -1 3 386.879 3.668 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@]12C[C@@H]1CCCC2 ZINC001151490817 1030923500 /nfs/dbraw/zinc/92/35/00/1030923500.db2.gz KYZWKQQSKHQSHY-SYTFOFBDSA-N -1 3 389.293 3.989 20 0 GHADHM O=C(N[C@H](CCc1ccccc1)c1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC001151803147 1031005299 /nfs/dbraw/zinc/00/52/99/1031005299.db2.gz DMSKANUEYQDFKK-GOSISDBHSA-N -1 3 375.407 3.596 20 0 GHADHM O=C(Nc1cccc(Cn2cccn2)c1)c1nc2cc(Br)ccc2[n-]1 ZINC001151827328 1031023101 /nfs/dbraw/zinc/02/31/01/1031023101.db2.gz XCVBZRBIDXMMOE-UHFFFAOYSA-N -1 3 396.248 3.823 20 0 GHADHM O=C(Nc1cccc(Cn2cccn2)c1)c1nc2ccc(Br)cc2[n-]1 ZINC001151827328 1031023117 /nfs/dbraw/zinc/02/31/17/1031023117.db2.gz XCVBZRBIDXMMOE-UHFFFAOYSA-N -1 3 396.248 3.823 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001151891507 1031043691 /nfs/dbraw/zinc/04/36/91/1031043691.db2.gz GCEHNUPHQSCFIF-UHFFFAOYSA-N -1 3 382.504 3.825 20 0 GHADHM Cc1c(Cl)cc(NC(=O)[C@@H](N)CCOCc2ccccc2)c([O-])c1Cl ZINC001219012738 1031211897 /nfs/dbraw/zinc/21/18/97/1031211897.db2.gz FHCJAXGGSGGYSA-AWEZNQCLSA-N -1 3 383.275 3.880 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1c2ccccc2nnc1-c1ccccc1 ZINC001152785837 1031352831 /nfs/dbraw/zinc/35/28/31/1031352831.db2.gz CMBATIFDKLXUEP-UHFFFAOYSA-N -1 3 388.383 3.632 20 0 GHADHM O=c1ncc(C(F)(F)F)c(O[C@@H]2CCOc3ccc(Br)cc32)[n-]1 ZINC001225578276 1031488574 /nfs/dbraw/zinc/48/85/74/1031488574.db2.gz CVTXYYXOHSRVBW-LLVKDONJSA-N -1 3 391.143 3.866 20 0 GHADHM N[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(c1ccccc1)c1ccccc1 ZINC001219550274 1031496079 /nfs/dbraw/zinc/49/60/79/1031496079.db2.gz UZNJTEWBQCIMAK-QHCPKHFHSA-N -1 3 398.466 3.676 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225853292 1031653014 /nfs/dbraw/zinc/65/30/14/1031653014.db2.gz OURDIRKQXPRRMW-SECBINFHSA-N -1 3 379.404 3.562 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CC1 ZINC001225852082 1031653103 /nfs/dbraw/zinc/65/31/03/1031653103.db2.gz BQDFUEDYOCPONG-SNVBAGLBSA-N -1 3 393.431 3.953 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2cc(C(F)(F)F)nc(=S)[n-]2)C1 ZINC001225855089 1031654314 /nfs/dbraw/zinc/65/43/14/1031654314.db2.gz YJSKSLIKVDOLMG-BDAKNGLRSA-N -1 3 397.394 3.510 20 0 GHADHM CN(C)c1nc2c(s1)CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC001153869006 1031782611 /nfs/dbraw/zinc/78/26/11/1031782611.db2.gz WPTFONVCQIPVNN-UHFFFAOYSA-N -1 3 393.512 3.704 20 0 GHADHM CN(C)c1ccccc1NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153876724 1031788555 /nfs/dbraw/zinc/78/85/55/1031788555.db2.gz FKVSGVLRHNMZRK-UHFFFAOYSA-N -1 3 386.249 3.609 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=S)ncc2C2CC2)[C@@H](F)C1 ZINC001226116318 1031795208 /nfs/dbraw/zinc/79/52/08/1031795208.db2.gz AOGHMJOAPQFYSM-UONOGXRCSA-N -1 3 383.489 3.759 20 0 GHADHM COC(=O)[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(Br)c1 ZINC001226119814 1031797317 /nfs/dbraw/zinc/79/73/17/1031797317.db2.gz OPMXFBHGIRZGQI-CYBMUJFWSA-N -1 3 395.278 3.698 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CCC(COc2cccnc2)CC1 ZINC001153901768 1031801558 /nfs/dbraw/zinc/80/15/58/1031801558.db2.gz UMLCHHHMMHJKDL-UHFFFAOYSA-N -1 3 397.862 3.508 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c3ccccc3)[n-]c2c1 ZINC001154120687 1031937024 /nfs/dbraw/zinc/93/70/24/1031937024.db2.gz QVNDKMAGZKRSMY-HKHQJRESSA-N -1 3 388.467 3.849 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824544 1069773695 /nfs/dbraw/zinc/77/36/95/1069773695.db2.gz CTXZMBQBJVKPEK-RYUDHWBXSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824544 1069773706 /nfs/dbraw/zinc/77/37/06/1069773706.db2.gz CTXZMBQBJVKPEK-RYUDHWBXSA-N -1 3 381.885 3.661 20 0 GHADHM CC(=O)c1ccc([O-])c(OC[C@@H]2CO[C@]3(C[C@H](C)CC[C@@H]3C(C)C)O2)c1O ZINC001226482227 1031975520 /nfs/dbraw/zinc/97/55/20/1031975520.db2.gz LAXZLFHWUUSNNL-VKUNOELRSA-N -1 3 378.465 3.883 20 0 GHADHM Cc1nc(NC([O-])=NO[C@H](CO)C2CCCC2)sc1Cc1ccccc1F ZINC001205224831 1033314435 /nfs/dbraw/zinc/31/44/35/1033314435.db2.gz QPBYSFWXDUQAPJ-MRXNPFEDSA-N -1 3 393.484 3.786 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C2CCCC2)sc1Cc1ccccc1F ZINC001205224831 1033314453 /nfs/dbraw/zinc/31/44/53/1033314453.db2.gz QPBYSFWXDUQAPJ-MRXNPFEDSA-N -1 3 393.484 3.786 20 0 GHADHM S=c1nc(O[C@@H]2CCCC3(C2)OCCO3)c2c3c(sc2[n-]1)CCCC3 ZINC001229287464 1033392233 /nfs/dbraw/zinc/39/22/33/1033392233.db2.gz HXOVMMSJGALPCM-LLVKDONJSA-N -1 3 378.519 3.923 20 0 GHADHM COCCN(CCOc1ccc(F)cc1)Cc1cccc([O-])c1Br ZINC001461852925 1069795038 /nfs/dbraw/zinc/79/50/38/1069795038.db2.gz XUWBKLBLXSESSD-UHFFFAOYSA-N -1 3 398.272 3.821 20 0 GHADHM C[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233813 1033485602 /nfs/dbraw/zinc/48/56/02/1033485602.db2.gz LJHGEYYGHHNXCQ-HTQZYQBOSA-N -1 3 380.292 3.980 20 0 GHADHM C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001157235633 1033487386 /nfs/dbraw/zinc/48/73/86/1033487386.db2.gz YLBGPKMVUNTGHX-QMMMGPOBSA-N -1 3 399.373 3.506 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3nc(=S)[n-]c4sccc43)[C@@H]2C1 ZINC001229571025 1033564361 /nfs/dbraw/zinc/56/43/61/1033564361.db2.gz YLESMRKUGSKIBK-MVWJERBFSA-N -1 3 379.507 3.614 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001157469743 1033608427 /nfs/dbraw/zinc/60/84/27/1033608427.db2.gz OOMXYVIVRYHGGZ-VQIMIIECSA-N -1 3 382.460 3.621 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001206053541 1033701480 /nfs/dbraw/zinc/70/14/80/1033701480.db2.gz HKCJKIINCQXQIY-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cc(F)ccc2Cl)no1 ZINC001206059566 1033702651 /nfs/dbraw/zinc/70/26/51/1033702651.db2.gz BOOVACZVOXHSCT-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc3ccoc32)no1 ZINC001206059575 1033702705 /nfs/dbraw/zinc/70/27/05/1033702705.db2.gz BUTNEDQDVQIYFJ-ZDUSSCGKSA-N -1 3 383.429 3.663 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c(OC)c1 ZINC001158246602 1033985232 /nfs/dbraw/zinc/98/52/32/1033985232.db2.gz WEPFAVSFWOXCHN-JTQLQIEISA-N -1 3 397.349 3.948 20 0 GHADHM O=C(COCc1cccc(Cl)c1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158344277 1034034682 /nfs/dbraw/zinc/03/46/82/1034034682.db2.gz APZBCAGROGTHQZ-UHFFFAOYSA-N -1 3 399.834 3.575 20 0 GHADHM O=C(COCc1cccc(Cl)c1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158344277 1034034694 /nfs/dbraw/zinc/03/46/94/1034034694.db2.gz APZBCAGROGTHQZ-UHFFFAOYSA-N -1 3 399.834 3.575 20 0 GHADHM COC(=O)[C@@H](Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-])C(F)(F)F ZINC001230454542 1034068790 /nfs/dbraw/zinc/06/87/90/1034068790.db2.gz WRDPYXCABUXFAR-OAHLLOKOSA-N -1 3 388.725 3.759 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001230493182 1034089606 /nfs/dbraw/zinc/08/96/06/1034089606.db2.gz VNCMVROYZWGCBF-GOSISDBHSA-N -1 3 384.819 3.720 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001230501841 1034093084 /nfs/dbraw/zinc/09/30/84/1034093084.db2.gz LDIRHCZJWDAHDO-GOSISDBHSA-N -1 3 384.819 3.720 20 0 GHADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001230885557 1034270531 /nfs/dbraw/zinc/27/05/31/1034270531.db2.gz LWNQVFUHHLYFED-SNVBAGLBSA-N -1 3 379.844 3.623 20 0 GHADHM O=C(COc1cccc2ccccc21)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158784671 1034271545 /nfs/dbraw/zinc/27/15/45/1034271545.db2.gz UXOKIAKBZDXGKJ-QAQDUYKDSA-N -1 3 377.444 3.557 20 0 GHADHM CCc1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)no2)cc1 ZINC001158792946 1034272485 /nfs/dbraw/zinc/27/24/85/1034272485.db2.gz UJAFPJVOFLXUSX-QAQDUYKDSA-N -1 3 392.459 3.856 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001158928803 1034341883 /nfs/dbraw/zinc/34/18/83/1034341883.db2.gz CTUBMLBBHPQIDL-HXUWFJFHSA-N -1 3 392.521 3.730 20 0 GHADHM Cc1cccnc1[C@@H](C)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001159263067 1034510599 /nfs/dbraw/zinc/51/05/99/1034510599.db2.gz CAMSARCTWZQZAT-LLVKDONJSA-N -1 3 391.349 3.621 20 0 GHADHM CSc1ccc([C@H](CNC(=O)c2ccc3oc(=S)[n-]c3c2)N(C)C)cc1 ZINC001159269731 1034514265 /nfs/dbraw/zinc/51/42/65/1034514265.db2.gz ZQLQXPUARKOQOV-INIZCTEOSA-N -1 3 387.530 3.871 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)c1 ZINC001231459052 1034602663 /nfs/dbraw/zinc/60/26/63/1034602663.db2.gz HKYFWPUIISKWGJ-UHFFFAOYSA-N -1 3 395.409 3.721 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC12CCN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001231462351 1034606467 /nfs/dbraw/zinc/60/64/67/1034606467.db2.gz HMKGSIYTLBJJRW-UHFFFAOYSA-N -1 3 380.510 3.812 20 0 GHADHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231525666 1034679323 /nfs/dbraw/zinc/67/93/23/1034679323.db2.gz DYWSLYYAJBLGHM-HNNXBMFYSA-N -1 3 376.378 3.641 20 0 GHADHM COC(=O)c1cc(Br)cc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001159658319 1034704713 /nfs/dbraw/zinc/70/47/13/1034704713.db2.gz RTHDTZXFYBYRSH-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cccc(OC(F)(F)F)c1F ZINC001208215126 1034806163 /nfs/dbraw/zinc/80/61/63/1034806163.db2.gz BUCUZEFDHUPZKI-UHFFFAOYSA-N -1 3 389.779 3.918 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Cl)c([O-])c3)CCO[C@@H]2C1 ZINC001231731512 1034869571 /nfs/dbraw/zinc/86/95/71/1034869571.db2.gz NMAIMYRDQGYWJZ-CRAIPNDOSA-N -1 3 396.915 3.503 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)ccc1Cl ZINC001231736335 1034871302 /nfs/dbraw/zinc/87/13/02/1034871302.db2.gz DRRNRKSZROAPHZ-YFVAEKQCSA-N -1 3 395.927 3.611 20 0 GHADHM COc1ccc(CN2CCN([C@@H]3CCCc4ccccc43)CC2)cc1C(=O)[O-] ZINC001231755697 1034886213 /nfs/dbraw/zinc/88/62/13/1034886213.db2.gz VRXAIBLQUNJFLN-OAQYLSRUSA-N -1 3 380.488 3.589 20 0 GHADHM CN1CCc2nc([N-]C(=O)c3cc(-c4cccc(Cl)c4F)no3)sc2C1 ZINC001160342089 1034945433 /nfs/dbraw/zinc/94/54/33/1034945433.db2.gz ZWYOZVRZJVWPJT-UHFFFAOYSA-N -1 3 392.843 3.831 20 0 GHADHM Cc1ccccc1CN1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC001160416405 1034967003 /nfs/dbraw/zinc/96/70/03/1034967003.db2.gz SBYRIPPZROTOBC-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C(F)(F)F)ccc1O)c2=O ZINC001160657658 1035026227 /nfs/dbraw/zinc/02/62/27/1035026227.db2.gz UNZUGGQSDMVHOJ-UHFFFAOYSA-N -1 3 378.306 3.513 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)c(=O)c2c1 ZINC001160943204 1035100094 /nfs/dbraw/zinc/10/00/94/1035100094.db2.gz UDVWSKYEMAWGJJ-UHFFFAOYSA-N -1 3 380.354 3.757 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)n[n-]2)o1 ZINC001160947839 1035100985 /nfs/dbraw/zinc/10/09/85/1035100985.db2.gz IFLORWNGFURBKF-ZDUSSCGKSA-N -1 3 391.472 3.641 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccn(-c3ccccc3Cl)n1)c2=O ZINC001160981135 1035111821 /nfs/dbraw/zinc/11/18/21/1035111821.db2.gz ZWWCIBMAOPSRGV-UHFFFAOYSA-N -1 3 394.818 3.628 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)C1=CCN(c2ccccc2)CC1 ZINC001209165384 1035197043 /nfs/dbraw/zinc/19/70/43/1035197043.db2.gz MMZHPFPFDDVRPS-UHFFFAOYSA-N -1 3 382.489 3.510 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)C1=CCN(c2ccccc2)CC1 ZINC001209165384 1035197047 /nfs/dbraw/zinc/19/70/47/1035197047.db2.gz MMZHPFPFDDVRPS-UHFFFAOYSA-N -1 3 382.489 3.510 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)c(F)c1F ZINC001209469774 1035283702 /nfs/dbraw/zinc/28/37/02/1035283702.db2.gz RNTUJDZMFXMNDM-UHFFFAOYSA-N -1 3 395.349 3.649 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001161683404 1035284359 /nfs/dbraw/zinc/28/43/59/1035284359.db2.gz FQYYSBLWOPDGHV-AWEZNQCLSA-N -1 3 380.485 3.556 20 0 GHADHM CC(C)(C)Oc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC001209695566 1035358425 /nfs/dbraw/zinc/35/84/25/1035358425.db2.gz IRKMXTDFACLMRF-UHFFFAOYSA-N -1 3 397.475 3.559 20 0 GHADHM COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc2ccccc21 ZINC001461980092 1069926676 /nfs/dbraw/zinc/92/66/76/1069926676.db2.gz VYXNVAFLNZQMJX-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM CCOC(=O)c1sc2nc(CN(C)C)nc(-c3cc([O-])cc(F)c3)c2c1C ZINC001241261834 1035545220 /nfs/dbraw/zinc/54/52/20/1035545220.db2.gz SEKBNTIOVKIGGF-UHFFFAOYSA-N -1 3 389.452 3.750 20 0 GHADHM COc1c(Br)cccc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248142627 1035562034 /nfs/dbraw/zinc/56/20/34/1035562034.db2.gz UFTRRONBVYNRCR-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC001241443980 1035582186 /nfs/dbraw/zinc/58/21/86/1035582186.db2.gz LHDPRPCVOIXDHA-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC001241443980 1035582195 /nfs/dbraw/zinc/58/21/95/1035582195.db2.gz LHDPRPCVOIXDHA-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001248250248 1035698804 /nfs/dbraw/zinc/69/88/04/1035698804.db2.gz SNYUPQKUDKHLOB-NSHDSACASA-N -1 3 384.745 3.752 20 0 GHADHM O=C(Nc1ccccc1Cl)c1cc(-c2cncc(-c3nnn[n-]3)c2)ccc1F ZINC001244425735 1036501994 /nfs/dbraw/zinc/50/19/94/1036501994.db2.gz RMQWWQSRUOZRIK-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccccc1Cl)c1cc(-c2cncc(-c3nn[n-]n3)c2)ccc1F ZINC001244425735 1036502009 /nfs/dbraw/zinc/50/20/09/1036502009.db2.gz RMQWWQSRUOZRIK-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM COc1cc(NC(=S)Nc2ccc(Br)cc2[O-])cc(OC)c1 ZINC001244975375 1036718916 /nfs/dbraw/zinc/71/89/16/1036718916.db2.gz TYPHTEAEUIJQNE-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM O=S(=O)(c1ccccc1)n1ccc2c1ncnc2-c1ccc([O-])cc1Cl ZINC001245081790 1036757626 /nfs/dbraw/zinc/75/76/26/1036757626.db2.gz LYJCAEDCZOBNHC-UHFFFAOYSA-N -1 3 385.832 3.694 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=S)NCC[N-]C(=O)C(F)(F)F ZINC001245110815 1036761209 /nfs/dbraw/zinc/76/12/09/1036761209.db2.gz ZYQPNDZJZKTGOI-UHFFFAOYSA-N -1 3 375.460 3.898 20 0 GHADHM CCCC1CCC(c2ccc(-c3noc([C@@H](N)Cc4nnn[n-]4)n3)cc2)CC1 ZINC001247301544 1038087443 /nfs/dbraw/zinc/08/74/43/1038087443.db2.gz CDNBABIDWTVQDB-KVULBXGLSA-N -1 3 381.484 3.566 20 0 GHADHM CCCC1CCC(c2ccc(-c3noc([C@@H](N)Cc4nn[n-]n4)n3)cc2)CC1 ZINC001247301544 1038087463 /nfs/dbraw/zinc/08/74/63/1038087463.db2.gz CDNBABIDWTVQDB-KVULBXGLSA-N -1 3 381.484 3.566 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1Cl ZINC001232789488 1038557318 /nfs/dbraw/zinc/55/73/18/1038557318.db2.gz JOKLLHPKUULCFY-GFCCVEGCSA-N -1 3 387.789 3.898 20 0 GHADHM C[C@H]1C(=O)CCN(Cc2ccc([O-])c(I)c2)C12CCCC2 ZINC001232873950 1038643637 /nfs/dbraw/zinc/64/36/37/1038643637.db2.gz IIYOQHLYPWYFGN-LBPRGKRZSA-N -1 3 399.272 3.721 20 0 GHADHM Cc1cccc(CN2CC[C@]3(CCN(Cc4ccc(F)c([O-])c4F)C3)C2=O)c1 ZINC001232936698 1038716585 /nfs/dbraw/zinc/71/65/85/1038716585.db2.gz UUQBWAOEBJIEQD-QFIPXVFZSA-N -1 3 386.442 3.603 20 0 GHADHM COc1ccc(-c2nnc(-c3cc([O-])cc(I)c3)o2)cc1 ZINC001252037106 1038822193 /nfs/dbraw/zinc/82/21/93/1038822193.db2.gz XGNHBFBFGSSMDU-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM [O-]c1c(Br)ccc(Cl)c1NC[C@@H](O)COCc1ccccc1 ZINC001252297608 1038931459 /nfs/dbraw/zinc/93/14/59/1038931459.db2.gz IZXNYDXDJIMQMY-GFCCVEGCSA-N -1 3 386.673 3.798 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)CN1c1ccc(F)c(F)c1 ZINC001233394989 1039229981 /nfs/dbraw/zinc/22/99/81/1039229981.db2.gz IEOVWKOJXYYVLG-HXUWFJFHSA-N -1 3 394.368 3.578 20 0 GHADHM COc1cccc(OC2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)n1 ZINC001233401670 1039244175 /nfs/dbraw/zinc/24/41/75/1039244175.db2.gz JPHDWKJQSOVKHF-UHFFFAOYSA-N -1 3 378.856 3.501 20 0 GHADHM COc1ccc(OC2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)nc1 ZINC001233402481 1039244889 /nfs/dbraw/zinc/24/48/89/1039244889.db2.gz RBIBHLPLMKGQAB-UHFFFAOYSA-N -1 3 378.856 3.501 20 0 GHADHM Cc1cccc(-c2nnc(-c3cc(I)c([O-])cc3O)o2)c1 ZINC001253721082 1039780299 /nfs/dbraw/zinc/78/02/99/1039780299.db2.gz BDGBCVDZVLPTBO-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM CCCCS(=O)(=O)[N-]c1c(Cl)cc(OC(F)(F)F)cc1C(=O)OC ZINC001253854504 1039863357 /nfs/dbraw/zinc/86/33/57/1039863357.db2.gz DEGWSHGAQZTQPO-UHFFFAOYSA-N -1 3 389.779 3.567 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(F)c1F ZINC001254166985 1040020999 /nfs/dbraw/zinc/02/09/99/1040020999.db2.gz YLHCFQFTDAPZDQ-UHFFFAOYSA-N -1 3 383.416 3.786 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)CC(C)(C)OC ZINC001234609917 1040166785 /nfs/dbraw/zinc/16/67/85/1040166785.db2.gz UBZPGTAHBVMMQY-SNVBAGLBSA-N -1 3 375.259 3.914 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690247 1040222468 /nfs/dbraw/zinc/22/24/68/1040222468.db2.gz ATTUTNJCTYMIQE-GDBMZVCRSA-N -1 3 385.464 3.874 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1C=C(C)OC(=O)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759321 1040289685 /nfs/dbraw/zinc/28/96/85/1040289685.db2.gz PFFPFHHNXKQYHK-PBHICJAKSA-N -1 3 396.395 3.705 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCCN([C@H](C)c3ccccn3)C2)c1C(C)=O ZINC001234793195 1040325088 /nfs/dbraw/zinc/32/50/88/1040325088.db2.gz NILVZABMSRDMKG-WBVHZDCISA-N -1 3 384.476 3.911 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CCC2)c1ccc(OC(F)(F)F)cc1 ZINC001255809251 1041316389 /nfs/dbraw/zinc/31/63/89/1041316389.db2.gz SWGQYMQEKGTRPT-MRXNPFEDSA-N -1 3 387.379 3.756 20 0 GHADHM COc1ccc2cccc(CC[N-]S(=O)(=O)c3ccc(F)cc3F)c2c1 ZINC001256102347 1041530597 /nfs/dbraw/zinc/53/05/97/1041530597.db2.gz LNFJXPAKTODZOH-UHFFFAOYSA-N -1 3 377.412 3.648 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccc(F)cc1)c1ccc(F)cc1F ZINC001256119170 1041551551 /nfs/dbraw/zinc/55/15/51/1041551551.db2.gz UPFGDWZJJXHCPF-GOSISDBHSA-N -1 3 399.434 3.940 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)cc1F ZINC001256205810 1041647517 /nfs/dbraw/zinc/64/75/17/1041647517.db2.gz IADOQNNZDIUMAL-UHFFFAOYSA-N -1 3 389.807 3.822 20 0 GHADHM Cc1cccc(COCc2cnc3n2CCN(Cc2ccc(F)c([O-])c2)[C@@H]3C)n1 ZINC001236701644 1041842250 /nfs/dbraw/zinc/84/22/50/1041842250.db2.gz METBETCGGDJHIF-MRXNPFEDSA-N -1 3 396.466 3.725 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CC[C@@H](Oc3cccc(Br)c3)C2)s1 ZINC001237154344 1042067572 /nfs/dbraw/zinc/06/75/72/1042067572.db2.gz LIACGWKNBJMOLC-LLVKDONJSA-N -1 3 389.702 3.918 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1sc(=O)[n-]c1Cl ZINC001237159054 1042070800 /nfs/dbraw/zinc/07/08/00/1042070800.db2.gz URVDRMGVGUKRNW-NSHDSACASA-N -1 3 375.922 3.579 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(N)c2)c(C)c1C ZINC001237954544 1042436208 /nfs/dbraw/zinc/43/62/08/1042436208.db2.gz DOFLWPXBAPUVPE-UHFFFAOYSA-N -1 3 399.310 3.766 20 0 GHADHM CC1(C)CCNc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc21 ZINC001237970168 1042440439 /nfs/dbraw/zinc/44/04/39/1042440439.db2.gz KZBVDRQONMOGDX-UHFFFAOYSA-N -1 3 384.457 3.687 20 0 GHADHM Cc1cc(Cl)c(Cl)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001238268902 1042537533 /nfs/dbraw/zinc/53/75/33/1042537533.db2.gz TYLXQBVZCCPJEA-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM O=S(=O)([N-]c1ccc(F)nc1Br)c1ccccc1C(F)(F)F ZINC001256581595 1043552680 /nfs/dbraw/zinc/55/26/80/1043552680.db2.gz ZWYUMSOOZQYIOL-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001292292683 1043669240 /nfs/dbraw/zinc/66/92/40/1043669240.db2.gz MOOZNUXGAQDWOB-UHFFFAOYSA-N -1 3 375.852 3.984 20 0 GHADHM C[C@@H](Cc1ccccc1Br)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001256844102 1043694839 /nfs/dbraw/zinc/69/48/39/1043694839.db2.gz MJEFNIHRKSECDX-NSHDSACASA-N -1 3 393.247 3.523 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2C)cc1OC ZINC001257000188 1043794462 /nfs/dbraw/zinc/79/44/62/1043794462.db2.gz HNKDEXGOVFIIRV-UHFFFAOYSA-N -1 3 391.367 3.712 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nc2ccccc2[nH]1 ZINC001292705068 1043840629 /nfs/dbraw/zinc/84/06/29/1043840629.db2.gz CUPFSYNYIXPKQV-AWEZNQCLSA-N -1 3 380.835 3.939 20 0 GHADHM COc1ccc2cc(CC[C@@H](C)n3c4[n-]c(=O)sc4c(=O)nc3N)ccc2c1 ZINC001257271584 1043950835 /nfs/dbraw/zinc/95/08/35/1043950835.db2.gz VRPBDUCQIAEAPM-LLVKDONJSA-N -1 3 396.472 3.739 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)Cc2ccccc2Cl)c([O-])c1 ZINC001292937313 1043951953 /nfs/dbraw/zinc/95/19/53/1043951953.db2.gz OGIWGOGQQGBMTO-UHFFFAOYSA-N -1 3 388.895 3.611 20 0 GHADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC001257276494 1043953418 /nfs/dbraw/zinc/95/34/18/1043953418.db2.gz LRUVMEZJSOZLOW-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1Cl ZINC001257284959 1043957324 /nfs/dbraw/zinc/95/73/24/1043957324.db2.gz ZNNAWPLRTSDRMF-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN1Cc1ccccc1)c1cccc(Cl)c1Cl ZINC001257293577 1043959329 /nfs/dbraw/zinc/95/93/29/1043959329.db2.gz PUFVXYYIBZJFQB-CQSZACIVSA-N -1 3 385.316 3.546 20 0 GHADHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC001257300747 1043961437 /nfs/dbraw/zinc/96/14/37/1043961437.db2.gz PSCQNRWCCYTBRB-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM COc1cc2c(cc1C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC001257780269 1044167631 /nfs/dbraw/zinc/16/76/31/1044167631.db2.gz LUTRCWZZSOBACU-ZDUSSCGKSA-N -1 3 386.300 3.756 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)Cc1cccc(C(F)(F)F)c1 ZINC001258790543 1044764622 /nfs/dbraw/zinc/76/46/22/1044764622.db2.gz FNVLZAVBHXSTJY-UHFFFAOYSA-N -1 3 376.400 3.610 20 0 GHADHM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)c1 ZINC001462859566 1070602751 /nfs/dbraw/zinc/60/27/51/1070602751.db2.gz GFEMPQQSMJSNBJ-UHFFFAOYSA-N -1 3 375.277 3.654 20 0 GHADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(F)cc3Cl)co2)cc1 ZINC001258918679 1044875182 /nfs/dbraw/zinc/87/51/82/1044875182.db2.gz JWQYHLGVBQQXCH-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3ccc(F)cc3Cl)co2)c1 ZINC001258920592 1044877096 /nfs/dbraw/zinc/87/70/96/1044877096.db2.gz ZLEZETJIGZSNCM-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)c(F)cc1F ZINC001462865837 1070608022 /nfs/dbraw/zinc/60/80/22/1070608022.db2.gz OQXUETNVSSUROD-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cnc(Cl)c(Cl)c1)C(=O)C2 ZINC001258967036 1044910631 /nfs/dbraw/zinc/91/06/31/1044910631.db2.gz RXNVYZVYVRNPQJ-VFZGTOFNSA-N -1 3 377.293 3.526 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259157671 1044983058 /nfs/dbraw/zinc/98/30/58/1044983058.db2.gz PZMZUDZYZYNOMC-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)cc1C ZINC001259168272 1044988523 /nfs/dbraw/zinc/98/85/23/1044988523.db2.gz UWPCHWRJLCZVMX-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(F)(F)F)cc1 ZINC001259180004 1044994746 /nfs/dbraw/zinc/99/47/46/1044994746.db2.gz YQHYJAGGXOAZIF-HNNXBMFYSA-N -1 3 375.343 3.610 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC001259337096 1045088807 /nfs/dbraw/zinc/08/88/07/1045088807.db2.gz QNZXNAIDGWKQIW-HXUWFJFHSA-N -1 3 399.443 3.685 20 0 GHADHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC001259407694 1045130533 /nfs/dbraw/zinc/13/05/33/1045130533.db2.gz WYHSOCKPOACXKX-UHFFFAOYSA-N -1 3 377.462 3.760 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)sc1Cl ZINC001462888799 1070627428 /nfs/dbraw/zinc/62/74/28/1070627428.db2.gz WPOKXIMNXWTTMS-INIZCTEOSA-N -1 3 399.921 3.911 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001295851027 1045167019 /nfs/dbraw/zinc/16/70/19/1045167019.db2.gz ALGYGTLSTVIZOS-UHFFFAOYSA-N -1 3 398.459 3.781 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(Cl)cc21)c1cccc(Cl)c1F ZINC001259473974 1045186143 /nfs/dbraw/zinc/18/61/43/1045186143.db2.gz XFPVLLXLYMWOGZ-GFCCVEGCSA-N -1 3 376.236 3.935 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)[n-]n1 ZINC001295913849 1045187054 /nfs/dbraw/zinc/18/70/54/1045187054.db2.gz UAXDFVKDAFCHHC-UHFFFAOYSA-N -1 3 384.461 3.570 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)n[n-]1 ZINC001295913849 1045187056 /nfs/dbraw/zinc/18/70/56/1045187056.db2.gz UAXDFVKDAFCHHC-UHFFFAOYSA-N -1 3 384.461 3.570 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(C)(C)CC(=O)N2C ZINC001259490726 1045199184 /nfs/dbraw/zinc/19/91/84/1045199184.db2.gz MZIKQOKTQMIWLA-UHFFFAOYSA-N -1 3 376.453 3.579 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1F)c1ccc(Cl)cc1F ZINC001259505945 1045209228 /nfs/dbraw/zinc/20/92/28/1045209228.db2.gz NPZXFXVDBHBKPD-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COc1ccccc1CC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259504937 1045209525 /nfs/dbraw/zinc/20/95/25/1045209525.db2.gz PMNGVFZQRPLLOP-UHFFFAOYSA-N -1 3 387.423 3.660 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F ZINC001259513577 1045216331 /nfs/dbraw/zinc/21/63/31/1045216331.db2.gz VIYCFTWAXRQZMH-CYBMUJFWSA-N -1 3 398.670 3.798 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001259648837 1045258748 /nfs/dbraw/zinc/25/87/48/1045258748.db2.gz FPSYAXJOUSZDLV-UHFFFAOYSA-N -1 3 385.869 3.573 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(C)c2)cc(C(F)(F)F)c1 ZINC001259748336 1045284246 /nfs/dbraw/zinc/28/42/46/1045284246.db2.gz KSGNXBQHTYNTTE-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ncccc1[O-])C1CCCCCC1 ZINC001296271358 1045292423 /nfs/dbraw/zinc/29/24/23/1045292423.db2.gz RPVXMASTEBEJAU-OAHLLOKOSA-N -1 3 377.485 3.837 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1cc(F)c(Br)cc1F ZINC001259766127 1045294155 /nfs/dbraw/zinc/29/41/55/1045294155.db2.gz FNGSTKLQABXSIE-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1cccc(OC(F)(F)F)c1F ZINC001259786710 1045304118 /nfs/dbraw/zinc/30/41/18/1045304118.db2.gz LAZHHKIGZJVYQZ-UHFFFAOYSA-N -1 3 381.322 3.848 20 0 GHADHM CC[C@@H](CN(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC001296703137 1045357273 /nfs/dbraw/zinc/35/72/73/1045357273.db2.gz YIBRIZQQXWMOBQ-SFHVURJKSA-N -1 3 382.504 3.863 20 0 GHADHM CC(C)c1ccc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c([O-])c1 ZINC001296751924 1045366620 /nfs/dbraw/zinc/36/66/20/1045366620.db2.gz LFIAMZHZYOAOLF-UHFFFAOYSA-N -1 3 382.382 3.824 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2)c2ccncc12 ZINC001260093923 1045380488 /nfs/dbraw/zinc/38/04/88/1045380488.db2.gz RCOKTCYOHKDRJK-UHFFFAOYSA-N -1 3 381.501 3.940 20 0 GHADHM O=S(=O)([N-]c1c(O)cc(F)cc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260145748 1045396036 /nfs/dbraw/zinc/39/60/36/1045396036.db2.gz ANNWFEZKMVQGPY-UHFFFAOYSA-N -1 3 378.356 3.659 20 0 GHADHM O=c1cc(C(F)(F)F)[nH]cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260366197 1045476230 /nfs/dbraw/zinc/47/62/30/1045476230.db2.gz QIZIJDXISUFIRA-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1F)c1ccc(Br)cc1F ZINC001260380199 1045483870 /nfs/dbraw/zinc/48/38/70/1045483870.db2.gz XHXNYAQXWYCMRE-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1F ZINC001260381251 1045483930 /nfs/dbraw/zinc/48/39/30/1045483930.db2.gz STNPNJBDOIXYPB-TZMCWYRMSA-N -1 3 388.233 3.562 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)s1)c1cscn1 ZINC001260492355 1045514578 /nfs/dbraw/zinc/51/45/78/1045514578.db2.gz DPERQESATQRSDS-RXMQYKEDSA-N -1 3 387.733 3.660 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC001260500180 1045518461 /nfs/dbraw/zinc/51/84/61/1045518461.db2.gz VVGNOBUBKQTMDZ-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM O=S(=O)(Cc1ccccc1F)[N-]c1ccc(F)c(Br)c1F ZINC001260628106 1045578688 /nfs/dbraw/zinc/57/86/88/1045578688.db2.gz FSTZHGABMWYYOY-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CC(=O)c1cccc(Br)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628167 1045579296 /nfs/dbraw/zinc/57/92/96/1045579296.db2.gz IOXMZKDXDRZDCS-UHFFFAOYSA-N -1 3 386.242 3.733 20 0 GHADHM C[C@@H](NC(=O)CCCCCc1cccs1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001297608788 1045587674 /nfs/dbraw/zinc/58/76/74/1045587674.db2.gz CKJDUYYGSJKDPD-HUUCEWRRSA-N -1 3 389.521 3.731 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1ccc(Br)c(F)c1 ZINC001260850375 1045712106 /nfs/dbraw/zinc/71/21/06/1045712106.db2.gz NTTFHYOOSKGGSC-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c(C)c1 ZINC001260909064 1045764474 /nfs/dbraw/zinc/76/44/74/1045764474.db2.gz HLCNUXXDUCVHQZ-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001462957696 1070690982 /nfs/dbraw/zinc/69/09/82/1070690982.db2.gz HFOLBNXVESFFJD-KKUMJFAQSA-N -1 3 385.501 3.599 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Br)cc1Cl ZINC001260972666 1045789538 /nfs/dbraw/zinc/78/95/38/1045789538.db2.gz BVSMVHLIZKJESY-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM C[C@H]1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2N(C)C1=O ZINC001260982971 1045797663 /nfs/dbraw/zinc/79/76/63/1045797663.db2.gz RYKZYSZLPYIIBD-AWEZNQCLSA-N -1 3 384.501 3.521 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cnc2Cl)c1C ZINC001260992478 1045807203 /nfs/dbraw/zinc/80/72/03/1045807203.db2.gz VVXGCKCPNCTEDD-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2cc(F)ccc21)c1ccc(F)cc1C(F)(F)F ZINC001261013298 1045834355 /nfs/dbraw/zinc/83/43/55/1045834355.db2.gz SVCXEYQRAWDVBB-CYBMUJFWSA-N -1 3 393.333 3.786 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2cc(Cl)ccc21)c1ccc(F)cc1C(F)(F)F ZINC001261014246 1045837650 /nfs/dbraw/zinc/83/76/50/1045837650.db2.gz UZRWMKCIMWUWRF-GFCCVEGCSA-N -1 3 395.761 3.910 20 0 GHADHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC001261015051 1045841071 /nfs/dbraw/zinc/84/10/71/1045841071.db2.gz XRMWKBRSZVBTLK-LLVKDONJSA-N -1 3 391.386 3.763 20 0 GHADHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1Br ZINC001261030251 1045853990 /nfs/dbraw/zinc/85/39/90/1045853990.db2.gz PQBPVTQPEZSDIL-UHFFFAOYSA-N -1 3 386.315 3.887 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)CC3)ccc1Br ZINC001261048765 1045869379 /nfs/dbraw/zinc/86/93/79/1045869379.db2.gz WLJHWLROXIIDCM-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(C(F)F)c1 ZINC001261061269 1045880274 /nfs/dbraw/zinc/88/02/74/1045880274.db2.gz XPTSQEZXCJSEIJ-UHFFFAOYSA-N -1 3 395.836 3.604 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)c(C)c1C ZINC001261130983 1045905086 /nfs/dbraw/zinc/90/50/86/1045905086.db2.gz XEWBANYTBOZHMS-UHFFFAOYSA-N -1 3 380.441 3.519 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)c(Cl)nc12 ZINC001298996155 1045995664 /nfs/dbraw/zinc/99/56/64/1045995664.db2.gz ZDZJHJIXQPDDRZ-UHFFFAOYSA-N -1 3 378.823 3.553 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)c(Cl)nc12 ZINC001298996155 1045995669 /nfs/dbraw/zinc/99/56/69/1045995669.db2.gz ZDZJHJIXQPDDRZ-UHFFFAOYSA-N -1 3 378.823 3.553 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)c([O-])c1 ZINC001299794990 1046040328 /nfs/dbraw/zinc/04/03/28/1046040328.db2.gz JWTYHXZTMOIPLS-HSZRJFAPSA-N -1 3 398.478 3.583 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463101073 1070793709 /nfs/dbraw/zinc/79/37/09/1070793709.db2.gz VZYYNKCMOKMBJQ-QAPCUYQASA-N -1 3 394.562 3.930 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC)Cc2cn(C)c3ccccc23)c1 ZINC001302139527 1046835496 /nfs/dbraw/zinc/83/54/96/1046835496.db2.gz OFPPQZHVFJPOQP-INIZCTEOSA-N -1 3 391.471 3.760 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1cccc2nsnc21 ZINC001302226238 1046882270 /nfs/dbraw/zinc/88/22/70/1046882270.db2.gz IUOFQZLNZPUPSD-UHFFFAOYSA-N -1 3 375.385 3.740 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)c([O-])c1 ZINC001263989164 1047206634 /nfs/dbraw/zinc/20/66/34/1047206634.db2.gz OFWXYPFHDHBFMY-UHFFFAOYSA-N -1 3 391.471 3.703 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC(C)(C)C2=CCOCC2)s1 ZINC001263997619 1047207493 /nfs/dbraw/zinc/20/74/93/1047207493.db2.gz XULCXSHYTQZGRY-UHFFFAOYSA-N -1 3 381.498 3.593 20 0 GHADHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001463179093 1070883719 /nfs/dbraw/zinc/88/37/19/1070883719.db2.gz IIRYCFJBUMFGLY-ZDUSSCGKSA-N -1 3 385.835 3.578 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)nn1 ZINC001264284189 1047296364 /nfs/dbraw/zinc/29/63/64/1047296364.db2.gz CNWUCOOPRSKLCE-UHFFFAOYSA-N -1 3 382.493 3.981 20 0 GHADHM COc1nscc1[N-]C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC001303231145 1047319124 /nfs/dbraw/zinc/31/91/24/1047319124.db2.gz DGUUOKLUESHOLV-UHFFFAOYSA-N -1 3 386.330 3.748 20 0 GHADHM CC(=O)Nc1cc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)c(F)cc1F ZINC001264831001 1047470514 /nfs/dbraw/zinc/47/05/14/1047470514.db2.gz FXOPVMXGSMUHEG-UHFFFAOYSA-N -1 3 375.306 3.970 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)sc1Br ZINC001463205865 1070910291 /nfs/dbraw/zinc/91/02/91/1070910291.db2.gz CESHJUBJIWJMGO-DGCLKSJQSA-N -1 3 396.372 3.549 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304130944 1047595374 /nfs/dbraw/zinc/59/53/74/1047595374.db2.gz FRDVIXZCUHNMPV-MRVPVSSYSA-N -1 3 376.766 3.755 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1nc(C(F)(F)F)n[n-]1 ZINC001304130521 1047595439 /nfs/dbraw/zinc/59/54/39/1047595439.db2.gz BDYUTUPKWWWPKS-RXMQYKEDSA-N -1 3 391.762 3.684 20 0 GHADHM C[C@@H](NC(=O)c1ncsc1Nc1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304132404 1047595901 /nfs/dbraw/zinc/59/59/01/1047595901.db2.gz OSRJSNJJRKNEED-MRVPVSSYSA-N -1 3 382.371 3.515 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304132869 1047596041 /nfs/dbraw/zinc/59/60/41/1047596041.db2.gz WGCUGGKWPIBJIM-SNVBAGLBSA-N -1 3 396.369 3.986 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(Cl)cc2cccnc21 ZINC001304813418 1047779495 /nfs/dbraw/zinc/77/94/95/1047779495.db2.gz AYNWGNFKXGFDQO-NNUKFRKNSA-N -1 3 382.851 3.840 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCCC2)s1 ZINC001463282018 1070960760 /nfs/dbraw/zinc/96/07/60/1070960760.db2.gz GGECGTPYCGRAMZ-KRWDZBQOSA-N -1 3 397.493 3.884 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c([O-])c3)c3cnccc32)CC1 ZINC001305728903 1048231907 /nfs/dbraw/zinc/23/19/07/1048231907.db2.gz CZRKYNBCTHXABQ-UHFFFAOYSA-N -1 3 396.878 3.598 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)c4ccncc34)nc21 ZINC001463312794 1070981122 /nfs/dbraw/zinc/98/11/22/1070981122.db2.gz BKFANYCKKJGISK-UHFFFAOYSA-N -1 3 378.363 3.679 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)OCc3ccccc3C)nc21 ZINC001463313323 1070981191 /nfs/dbraw/zinc/98/11/91/1070981191.db2.gz FDGUOJQNINTNMH-AWEZNQCLSA-N -1 3 381.432 3.592 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)c3ccoc3Cl)[n-]c2c(Br)c1 ZINC001463318073 1070984733 /nfs/dbraw/zinc/98/47/33/1070984733.db2.gz HQROZHLDIXGVAF-UHFFFAOYSA-N -1 3 398.600 3.611 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc(-c3ccc(C)s3)ns1)c2=O ZINC001306491743 1048707963 /nfs/dbraw/zinc/70/79/63/1048707963.db2.gz WJLZMDCPEPPZHW-UHFFFAOYSA-N -1 3 398.469 3.677 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC001306502249 1048710599 /nfs/dbraw/zinc/71/05/99/1048710599.db2.gz ZUKICGRNSHBJQU-AWEZNQCLSA-N -1 3 382.460 3.947 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc3cn(C(C)C)nc3c1)c2=O ZINC001306633710 1048779212 /nfs/dbraw/zinc/77/92/12/1048779212.db2.gz YYIYXMJRISUQOR-UHFFFAOYSA-N -1 3 376.416 3.720 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cn(CC(C)C)c4ccccc34)c2c1=O ZINC001306864728 1048934099 /nfs/dbraw/zinc/93/40/99/1048934099.db2.gz YLJPMVUWGAGQGE-UHFFFAOYSA-N -1 3 391.475 3.916 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC001288090792 1048981817 /nfs/dbraw/zinc/98/18/17/1048981817.db2.gz IKYPDWTXZAVRIL-UHFFFAOYSA-N -1 3 375.428 3.841 20 0 GHADHM COc1ccc(C2(C(=O)Nc3n[n-]c(-c4ccco4)n3)CCCC2)cc1OC ZINC001289107880 1049326994 /nfs/dbraw/zinc/32/69/94/1049326994.db2.gz RAWSHKFRDDZMGY-UHFFFAOYSA-N -1 3 382.420 3.532 20 0 GHADHM C[C@](CO)(NCc1cc(=O)oc2cc([O-])ccc12)c1cc(Cl)cc(Cl)c1 ZINC001307766650 1049579038 /nfs/dbraw/zinc/57/90/38/1049579038.db2.gz SFEUYIBYTPPMNM-LJQANCHMSA-N -1 3 394.254 3.803 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC001290352548 1049813336 /nfs/dbraw/zinc/81/33/36/1049813336.db2.gz NVKVGQCYAHMTCS-UHFFFAOYSA-N -1 3 384.357 3.875 20 0 GHADHM COc1cc(CNC(=O)c2cc([O-])cc(Br)c2)ccc1OC(C)C ZINC001290415123 1049833608 /nfs/dbraw/zinc/83/36/08/1049833608.db2.gz AVEPPWZHSJXOCE-UHFFFAOYSA-N -1 3 394.265 3.881 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H](O)c1ccccc1C(F)(F)F ZINC001290876403 1049942794 /nfs/dbraw/zinc/94/27/94/1049942794.db2.gz WCUBRKMRCMLIGB-CYBMUJFWSA-N -1 3 390.155 3.846 20 0 GHADHM CCOc1cc(CN2C[C@@H](C(=O)OC)Cc3ccccc32)cc(Cl)c1[O-] ZINC001308955284 1050215951 /nfs/dbraw/zinc/21/59/51/1050215951.db2.gz SCCJUSOWABPTCI-HNNXBMFYSA-N -1 3 375.852 3.796 20 0 GHADHM O=C([O-])CC[C@H](CNCc1cc(Cl)c2c(c1)OCCCO2)C(F)(F)F ZINC001327640160 1050239456 /nfs/dbraw/zinc/23/94/56/1050239456.db2.gz HRYBWPLDSQBLPM-LLVKDONJSA-N -1 3 381.778 3.634 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)[n-]1 ZINC001327851469 1050298133 /nfs/dbraw/zinc/29/81/33/1050298133.db2.gz RWUNZOHUWMGUGR-UHFFFAOYSA-N -1 3 378.253 3.588 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(F)cc1Br ZINC001309083429 1050333840 /nfs/dbraw/zinc/33/38/40/1050333840.db2.gz DZYPCGHMNZCNGX-GFCCVEGCSA-N -1 3 384.270 3.515 20 0 GHADHM CCCCCC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OCC ZINC001309168534 1050424060 /nfs/dbraw/zinc/42/40/60/1050424060.db2.gz UGSASJMPFCBBPV-GOSISDBHSA-N -1 3 391.480 3.844 20 0 GHADHM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(C)(C)C ZINC001309184060 1050442568 /nfs/dbraw/zinc/44/25/68/1050442568.db2.gz WDXMVTWDDDQNST-CYBMUJFWSA-N -1 3 390.933 3.795 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NC/C=C/c2ccc(N(C)C)cc2)c1OC ZINC000903998804 1050460658 /nfs/dbraw/zinc/46/06/58/1050460658.db2.gz YMLXUNVBFBRDOX-GHOSXJJBSA-N -1 3 384.476 3.589 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C12CCCC2 ZINC001309255138 1050524105 /nfs/dbraw/zinc/52/41/05/1050524105.db2.gz OTAFHYMRUFTCLS-DLBZAZTESA-N -1 3 392.546 3.826 20 0 GHADHM CCCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001309310860 1050580063 /nfs/dbraw/zinc/58/00/63/1050580063.db2.gz PDDYCNCFIYLQNL-UHFFFAOYSA-N -1 3 384.448 3.716 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)c(C)c2)C2CC2)cc1F ZINC001309324894 1050594328 /nfs/dbraw/zinc/59/43/28/1050594328.db2.gz NMVMMIOUDIVEGJ-SFHVURJKSA-N -1 3 385.407 3.851 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)OC ZINC001309329531 1050597451 /nfs/dbraw/zinc/59/74/51/1050597451.db2.gz AZWSZDGSOQJJQL-CQSZACIVSA-N -1 3 385.423 3.964 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc2c1OCC2)c1cccc(Cl)c1F ZINC001309387701 1050668937 /nfs/dbraw/zinc/66/89/37/1050668937.db2.gz LLSJIOYINILMCU-UHFFFAOYSA-N -1 3 376.236 3.546 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(C(C)C)c2)c1 ZINC001309414140 1050697802 /nfs/dbraw/zinc/69/78/02/1050697802.db2.gz CQDTXVDOHWDOME-UHFFFAOYSA-N -1 3 379.453 3.604 20 0 GHADHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309428533 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KXNRGDYSWAWXTQ-UXHICEINSA-N -1 3 397.425 3.759 20 0 GHADHM C[C@@H]1CCc2nc(CN[C@@H](CC(=O)[O-])Cc3cc(F)c(F)cc3F)sc2C1 ZINC001334069730 1051897357 /nfs/dbraw/zinc/89/73/57/1051897357.db2.gz DICAAKKWLZCBHQ-ZYHUDNBSSA-N -1 3 398.450 3.861 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2cccs2)C2CC2)c(Cl)c1 ZINC001336177104 1052236098 /nfs/dbraw/zinc/23/60/98/1052236098.db2.gz ZZIWPWGGBATPGD-UHFFFAOYSA-N -1 3 384.910 3.578 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2cnoc2C(C)C)c1 ZINC001336626395 1052295145 /nfs/dbraw/zinc/29/51/45/1052295145.db2.gz CIESCHOJTXVCAA-UHFFFAOYSA-N -1 3 399.900 3.734 20 0 GHADHM O=C([N-]c1nnc(C2CC2)s1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001337188625 1052419714 /nfs/dbraw/zinc/41/97/14/1052419714.db2.gz GYRVVOYJIFAPNS-UHFFFAOYSA-N -1 3 376.392 3.526 20 0 GHADHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001312070972 1052556923 /nfs/dbraw/zinc/55/69/23/1052556923.db2.gz CVZNQIRXFKKYTJ-LBPRGKRZSA-N -1 3 395.837 3.744 20 0 GHADHM CC[C@H](C)C[C@H](C)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001312090314 1052567157 /nfs/dbraw/zinc/56/71/57/1052567157.db2.gz PNGBCNZIICOHJS-KCQAQPDRSA-N -1 3 385.430 3.631 20 0 GHADHM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001342668575 1053289900 /nfs/dbraw/zinc/28/99/00/1053289900.db2.gz WFNWLSBXGSUKNC-CQSZACIVSA-N -1 3 399.397 3.706 20 0 GHADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nnc(-c4ccncc4)s3)sc21 ZINC001344336096 1054359196 /nfs/dbraw/zinc/35/91/96/1054359196.db2.gz FQUPODRFIVDZCM-UHFFFAOYSA-N -1 3 392.416 3.738 20 0 GHADHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1nc(-c2ccccc2)oc1C1CC1 ZINC001318230383 1054514128 /nfs/dbraw/zinc/51/41/28/1054514128.db2.gz QGYBHBGSMVYPQD-UHFFFAOYSA-N -1 3 386.415 3.506 20 0 GHADHM CC(C)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001344512860 1054533100 /nfs/dbraw/zinc/53/31/00/1054533100.db2.gz VTMFJWIQIILPFZ-HSZRJFAPSA-N -1 3 380.488 3.659 20 0 GHADHM O=C([N-]c1cc(N2CCOC2=O)ccc1F)c1oc(C2CC2)nc1C(F)F ZINC001345465333 1055050856 /nfs/dbraw/zinc/05/08/56/1055050856.db2.gz ADLNDAANGZROHG-UHFFFAOYSA-N -1 3 381.310 3.838 20 0 GHADHM CCO[C@@H]1C[C@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C12CCOCC2 ZINC001345657751 1055189087 /nfs/dbraw/zinc/18/90/87/1055189087.db2.gz AFTGTBKLAKOKRE-KGLIPLIRSA-N -1 3 380.391 3.632 20 0 GHADHM CCO[C@H]1C[C@@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C12CCOCC2 ZINC001345657752 1055189165 /nfs/dbraw/zinc/18/91/65/1055189165.db2.gz AFTGTBKLAKOKRE-UONOGXRCSA-N -1 3 380.391 3.632 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC001319757674 1055449251 /nfs/dbraw/zinc/44/92/51/1055449251.db2.gz GRAMZKIJSHJUSY-NEPJUHHUSA-N -1 3 381.398 3.750 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001320918548 1056016119 /nfs/dbraw/zinc/01/61/19/1056016119.db2.gz UWFSWSZDBKTNBO-INIZCTEOSA-N -1 3 391.471 3.880 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)CCc3c(C)nc[n-]c3=O)cc2)cs1 ZINC001321620891 1056342784 /nfs/dbraw/zinc/34/27/84/1056342784.db2.gz IRWXFAZNGCLIBJ-GFCCVEGCSA-N -1 3 382.489 3.733 20 0 GHADHM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001322450853 1056710772 /nfs/dbraw/zinc/71/07/72/1056710772.db2.gz ZTZIQRWNGSMIHQ-JTQLQIEISA-N -1 3 395.349 3.729 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000848158812 1056781089 /nfs/dbraw/zinc/78/10/89/1056781089.db2.gz ZQCQFTAGPLNCHM-JTQLQIEISA-N -1 3 387.274 3.657 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)COC(=O)N4)c2)n1 ZINC001355461907 1057170557 /nfs/dbraw/zinc/17/05/57/1057170557.db2.gz RPNIYADJSHXOOL-UHFFFAOYSA-N -1 3 390.399 3.726 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)CCCC1 ZINC001324647987 1057189263 /nfs/dbraw/zinc/18/92/63/1057189263.db2.gz HGCVSJWFWRXNSZ-UHFFFAOYSA-N -1 3 397.440 3.774 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001355733523 1057263224 /nfs/dbraw/zinc/26/32/24/1057263224.db2.gz UHQLTFKMFZJTLV-CQSZACIVSA-N -1 3 391.842 3.923 20 0 GHADHM CC(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001355856852 1057295090 /nfs/dbraw/zinc/29/50/90/1057295090.db2.gz AGXZVWIVSGCZBQ-MRXNPFEDSA-N -1 3 398.544 3.943 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)OCc1noc(-c3ccccc3[O-])n1)CCC2 ZINC000848850386 1057364552 /nfs/dbraw/zinc/36/45/52/1057364552.db2.gz ADPVAWAWDMWHMT-HNNXBMFYSA-N -1 3 380.400 3.614 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1Cl ZINC001325951774 1057387502 /nfs/dbraw/zinc/38/75/02/1057387502.db2.gz NSYVVMZOMVBHEO-UHFFFAOYSA-N -1 3 381.807 3.549 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc2nc(C)oc2c1)c1ccco1 ZINC001326185185 1057428004 /nfs/dbraw/zinc/42/80/04/1057428004.db2.gz KOOKIDMPNRBKQB-HXUWFJFHSA-N -1 3 398.440 3.806 20 0 GHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1nnc(C2CCCC2)o1 ZINC001326251559 1057442339 /nfs/dbraw/zinc/44/23/39/1057442339.db2.gz UOSQGHISHDPYNY-MRXNPFEDSA-N -1 3 395.550 3.808 20 0 GHADHM NC(=O)c1cc(Br)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001326798161 1057559981 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GHADHM COc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001338961784 1058906069 /nfs/dbraw/zinc/90/60/69/1058906069.db2.gz UIOWYKKLFPBBIP-UHFFFAOYSA-N -1 3 395.695 3.571 20 0 GHADHM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3c(C)cc(Cl)cc3C)cc2C1 ZINC001339134166 1058974649 /nfs/dbraw/zinc/97/46/49/1058974649.db2.gz KCCTZIPCKLQNSR-UHFFFAOYSA-N -1 3 378.881 3.620 20 0 GHADHM CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001443864236 1059218503 /nfs/dbraw/zinc/21/85/03/1059218503.db2.gz HTNQLXCLKGYXKT-UHFFFAOYSA-N -1 3 396.487 3.527 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001339613707 1059347605 /nfs/dbraw/zinc/34/76/05/1059347605.db2.gz OOEYWKUDBQOMBD-UHFFFAOYSA-N -1 3 379.460 3.596 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nc2ccccc2n1C ZINC001444628422 1059352922 /nfs/dbraw/zinc/35/29/22/1059352922.db2.gz HQWSBUYBGSTUJZ-LLVKDONJSA-N -1 3 380.835 3.559 20 0 GHADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444632118 1059354486 /nfs/dbraw/zinc/35/44/86/1059354486.db2.gz YLIAVTCWPIETHM-SWLSCSKDSA-N -1 3 390.505 3.982 20 0 GHADHM NC(=O)C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCCC1 ZINC001445260863 1059488231 /nfs/dbraw/zinc/48/82/31/1059488231.db2.gz ITYMWVMIHAVMHT-NRFANRHFSA-N -1 3 394.515 3.732 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(=Cc2cccc(F)c2)CC1 ZINC001340021065 1059624798 /nfs/dbraw/zinc/62/47/98/1059624798.db2.gz QDGQMVPJHSMWIV-UHFFFAOYSA-N -1 3 394.454 3.592 20 0 GHADHM C[C@@]12CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C[C@@H]1C2(Cl)Cl ZINC001449395301 1060395987 /nfs/dbraw/zinc/39/59/87/1060395987.db2.gz ZMXNKHFJOITCRB-BLLLJJGKSA-N -1 3 385.678 3.837 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(O)c(F)c2F)c([O-])c1 ZINC001449452043 1060404341 /nfs/dbraw/zinc/40/43/41/1060404341.db2.gz YOEHQAWPHTVKBN-UHFFFAOYSA-N -1 3 380.347 3.975 20 0 GHADHM CC(C)Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)o1 ZINC001341566755 1060750130 /nfs/dbraw/zinc/75/01/30/1060750130.db2.gz LTEGVRDZVAARER-UHFFFAOYSA-N -1 3 375.425 3.875 20 0 GHADHM CC[C@@](CNC(=O)c1cc2sccc2c([O-])c1)(C(=O)OC)c1ccccc1 ZINC001451312233 1060762210 /nfs/dbraw/zinc/76/22/10/1060762210.db2.gz RSVMWPBRZRBLIK-NRFANRHFSA-N -1 3 383.469 3.858 20 0 GHADHM COC(=O)c1cnc([C@@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC001451866623 1060853321 /nfs/dbraw/zinc/85/33/21/1060853321.db2.gz FTICQNBKFOLHDN-CYBMUJFWSA-N -1 3 396.468 3.717 20 0 GHADHM COCCn1c(CCc2cccc(Cl)c2[O-])nnc1N1Cc2ccccc2C1 ZINC001341779457 1060886739 /nfs/dbraw/zinc/88/67/39/1060886739.db2.gz JQRHXWGVBOORKG-UHFFFAOYSA-N -1 3 398.894 3.589 20 0 GHADHM Cc1cc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)sc1-c1ccc(F)cc1 ZINC001452046384 1060887723 /nfs/dbraw/zinc/88/77/23/1060887723.db2.gz CLPBRJXBBARURD-UHFFFAOYSA-N -1 3 396.447 3.998 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC001452174139 1060910319 /nfs/dbraw/zinc/91/03/19/1060910319.db2.gz DEVJFBBXGQRGKO-INIZCTEOSA-N -1 3 383.366 3.707 20 0 GHADHM COc1cccc2nc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)sc21 ZINC001452485061 1060945437 /nfs/dbraw/zinc/94/54/37/1060945437.db2.gz MLLVHSCOGXBLNK-UHFFFAOYSA-N -1 3 383.404 3.846 20 0 GHADHM COc1cccc(Sc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)nc2)c1 ZINC001452762346 1061003332 /nfs/dbraw/zinc/00/33/32/1061003332.db2.gz ADPFQFVGTUKGJT-UHFFFAOYSA-N -1 3 396.472 3.535 20 0 GHADHM O=C(NC[C@]1(CO)CCc2ccccc21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001452768063 1061008774 /nfs/dbraw/zinc/00/87/74/1061008774.db2.gz HKQKMXKDXQACNL-DEOSSOPVSA-N -1 3 389.451 3.791 20 0 GHADHM COc1cccc2c(C(=O)Oc3cc(Br)ccc3OC)n[n-]c21 ZINC001454021701 1061576642 /nfs/dbraw/zinc/57/66/42/1061576642.db2.gz ZLMOXVASCHUTOX-UHFFFAOYSA-N -1 3 377.194 3.562 20 0 GHADHM COc1cccc2c(C(=O)Oc3cc(Br)ccc3OC)[n-]nc21 ZINC001454021701 1061576664 /nfs/dbraw/zinc/57/66/64/1061576664.db2.gz ZLMOXVASCHUTOX-UHFFFAOYSA-N -1 3 377.194 3.562 20 0 GHADHM Cc1coc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1C ZINC001346530616 1061656844 /nfs/dbraw/zinc/65/68/44/1061656844.db2.gz AWJCPGOHNNYPFZ-UHFFFAOYSA-N -1 3 376.840 3.746 20 0 GHADHM COc1ccc(C=C(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c2cccs2)cc1 ZINC001454289744 1061700420 /nfs/dbraw/zinc/70/04/20/1061700420.db2.gz ZRVZPMWEGUKFMK-YBEGLDIGSA-N -1 3 393.468 3.644 20 0 GHADHM O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1cnc2cc(F)c(F)cc2c1[O-] ZINC001454736804 1061930172 /nfs/dbraw/zinc/93/01/72/1061930172.db2.gz BHDTZXJJOORKDC-UHFFFAOYSA-N -1 3 396.271 3.804 20 0 GHADHM O=C(C[C@H]1CC=CCC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454926286 1061957526 /nfs/dbraw/zinc/95/75/26/1061957526.db2.gz KEMDRBFXSVWOHI-GJZGRUSLSA-N -1 3 380.410 3.932 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545858403 1062045130 /nfs/dbraw/zinc/04/51/30/1062045130.db2.gz PXJQPLWTQMNDDP-AWEZNQCLSA-N -1 3 396.459 3.530 20 0 GHADHM O=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001455356550 1062114726 /nfs/dbraw/zinc/11/47/26/1062114726.db2.gz WGPFCGWQFZKXQV-UHFFFAOYSA-N -1 3 395.410 3.528 20 0 GHADHM O=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001455356550 1062114734 /nfs/dbraw/zinc/11/47/34/1062114734.db2.gz WGPFCGWQFZKXQV-UHFFFAOYSA-N -1 3 395.410 3.528 20 0 GHADHM Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001455415873 1062134444 /nfs/dbraw/zinc/13/44/44/1062134444.db2.gz PWNWCSFQWPHGJQ-GOSISDBHSA-N -1 3 396.487 3.792 20 0 GHADHM O=C([N-][C@H]1CCc2ccc(F)cc21)C(F)(F)c1ncccc1Br ZINC001435099528 1062292507 /nfs/dbraw/zinc/29/25/07/1062292507.db2.gz FUQAXVFRIRBUHL-ZDUSSCGKSA-N -1 3 385.183 3.879 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)/C=C\[C@]3(C)CC[C@@H](C)C3(C)C)CC2)n1 ZINC001347420944 1062371968 /nfs/dbraw/zinc/37/19/68/1062371968.db2.gz CQRHRRONJXGTAV-GDKHPOQJSA-N -1 3 386.540 3.594 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2[C@@H](C)CC3(C)C)c(C)o1 ZINC001456068265 1062464109 /nfs/dbraw/zinc/46/41/09/1062464109.db2.gz PBJALNVUPJJTHR-NSHDSACASA-N -1 3 376.478 3.533 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456378835 1062646978 /nfs/dbraw/zinc/64/69/78/1062646978.db2.gz CLRFZCKAKNIIGI-RKDXNWHRSA-N -1 3 394.319 3.898 20 0 GHADHM C[C@@H](NC(=O)c1csc(-c2ccccc2F)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383416 1062651034 /nfs/dbraw/zinc/65/10/34/1062651034.db2.gz KVUXISGZXSXOMW-SSDOTTSWSA-N -1 3 385.346 3.577 20 0 GHADHM CC(C)[N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001347853834 1062725712 /nfs/dbraw/zinc/72/57/12/1062725712.db2.gz OYNRRYVUBIZSOV-UHFFFAOYSA-N -1 3 376.119 3.964 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001456613700 1062781244 /nfs/dbraw/zinc/78/12/44/1062781244.db2.gz AINOFNHYQNSCAR-KGLIPLIRSA-N -1 3 394.537 3.737 20 0 GHADHM O=C(NC1CC(NCC(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001456644586 1062798328 /nfs/dbraw/zinc/79/83/28/1062798328.db2.gz GQQZFLIVVTWHLV-UHFFFAOYSA-N -1 3 380.366 3.597 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(Br)cc2C)c([O-])c(OC)c1 ZINC001456743802 1062835705 /nfs/dbraw/zinc/83/57/05/1062835705.db2.gz FYZHNFCHABDYOM-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c([O-])c(OC)c1 ZINC001456744545 1062835747 /nfs/dbraw/zinc/83/57/47/1062835747.db2.gz HYZVFTIBSXBDNT-SNVBAGLBSA-N -1 3 375.446 3.626 20 0 GHADHM C[C@@H]1CSCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001456949451 1062927233 /nfs/dbraw/zinc/92/72/33/1062927233.db2.gz GWLVQNOYRHJHNY-UZLBHIALSA-N -1 3 398.528 3.607 20 0 GHADHM CC(C)c1cc(C(=O)[N-]c2cc(-c3ccc(Br)o3)ncn2)on1 ZINC001436093394 1063179292 /nfs/dbraw/zinc/17/92/92/1063179292.db2.gz UTYCUWSSLWLCFI-UHFFFAOYSA-N -1 3 377.198 3.863 20 0 GHADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001348644543 1063256833 /nfs/dbraw/zinc/25/68/33/1063256833.db2.gz FJTSZJXRZKIGEJ-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM COc1ccc(C[C@H](C)N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001457610527 1063277480 /nfs/dbraw/zinc/27/74/80/1063277480.db2.gz YQUWNLWMRFKZEM-LBPRGKRZSA-N -1 3 386.398 3.518 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c([O-])c1 ZINC001457848351 1063399859 /nfs/dbraw/zinc/39/98/59/1063399859.db2.gz BZVCGWNJNSVOFX-AEFFLSMTSA-N -1 3 391.489 3.636 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cn3ccc4ccc(Cl)cc43)nc21 ZINC001458166923 1063623309 /nfs/dbraw/zinc/62/33/09/1063623309.db2.gz FLCXTIIPUNHMAB-UHFFFAOYSA-N -1 3 382.807 3.596 20 0 GHADHM O=C([N-]c1cccc(S(=O)(=O)c2ccccc2)c1)c1ocnc1C(F)F ZINC001438009942 1063962977 /nfs/dbraw/zinc/96/29/77/1063962977.db2.gz TXZZZNUTFSIJRT-UHFFFAOYSA-N -1 3 378.356 3.697 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](C4CCCCC4)C3)n2CC2CC2)cc(=O)[n-]1 ZINC001350538849 1064118483 /nfs/dbraw/zinc/11/84/83/1064118483.db2.gz XEOUNJRWHHFFBM-KRWDZBQOSA-N -1 3 382.512 3.566 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC001351102265 1064266258 /nfs/dbraw/zinc/26/62/58/1064266258.db2.gz VYNJSMMJHVKANI-HTAPYJJXSA-N -1 3 394.471 3.757 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC001351102269 1064266524 /nfs/dbraw/zinc/26/65/24/1064266524.db2.gz VYNJSMMJHVKANI-VGOFRKELSA-N -1 3 394.471 3.757 20 0 GHADHM CSCCCCCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001463501015 1064410921 /nfs/dbraw/zinc/41/09/21/1064410921.db2.gz UECQZQULQLMECO-UHFFFAOYSA-N -1 3 379.960 3.546 20 0 GHADHM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1csnc1-c1ccccc1 ZINC001463754247 1064588867 /nfs/dbraw/zinc/58/88/67/1064588867.db2.gz CRMBWJSPSFKEET-AWEZNQCLSA-N -1 3 388.539 3.978 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)c(F)c1 ZINC001463760229 1064593297 /nfs/dbraw/zinc/59/32/97/1064593297.db2.gz CVVNLGMIHFSSKW-NSHDSACASA-N -1 3 385.844 3.695 20 0 GHADHM COCCOc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC001463877695 1064689346 /nfs/dbraw/zinc/68/93/46/1064689346.db2.gz OEBQMQNPZRWIQC-UHFFFAOYSA-N -1 3 378.428 3.656 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCC1)c1c(Cl)cccc1Br ZINC001463935961 1064728480 /nfs/dbraw/zinc/72/84/80/1064728480.db2.gz VKPPJIVLHWVBBX-QWRGUYRKSA-N -1 3 378.719 3.817 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CSc2ccccc2O1 ZINC001463963033 1064741333 /nfs/dbraw/zinc/74/13/33/1064741333.db2.gz RZCRPDGTDSWKMK-CYBMUJFWSA-N -1 3 393.461 3.712 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CSc2ccccc2O1 ZINC001463963036 1064741894 /nfs/dbraw/zinc/74/18/94/1064741894.db2.gz RZCRPDGTDSWKMK-ZDUSSCGKSA-N -1 3 393.461 3.712 20 0 GHADHM COC(=O)c1ccc2c(c1)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC001464038946 1064782635 /nfs/dbraw/zinc/78/26/35/1064782635.db2.gz KDKAMSUVEQEAOF-CYBMUJFWSA-N -1 3 399.921 3.587 20 0 GHADHM O=S(=O)([N-][C@H](C1CCC1)[C@H]1CCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC001464175554 1064887344 /nfs/dbraw/zinc/88/73/44/1064887344.db2.gz LQEITTUZZYJTIP-UKRRQHHQSA-N -1 3 397.846 3.985 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCn1cncc1-c1ccccc1 ZINC001464177329 1064888574 /nfs/dbraw/zinc/88/85/74/1064888574.db2.gz QAOVCSLBGZUWET-UHFFFAOYSA-N -1 3 399.447 3.722 20 0 GHADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc(F)cc2n[n-]nc21 ZINC001464279113 1064939639 /nfs/dbraw/zinc/93/96/39/1064939639.db2.gz WDSMHUJETUWPMP-UHFFFAOYSA-N -1 3 390.418 3.649 20 0 GHADHM O=S(=O)([N-]C[C@]12C[C@H]1CCCC2)c1cc(Cl)ccc1Br ZINC001464525766 1065063365 /nfs/dbraw/zinc/06/33/65/1065063365.db2.gz SDYBODLZROXCCL-YGRLFVJLSA-N -1 3 378.719 3.961 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2ccccc2C1)c1ccc(Br)cc1F ZINC001464709051 1065168800 /nfs/dbraw/zinc/16/88/00/1065168800.db2.gz KCIOXMLLDBOEQK-OAHLLOKOSA-N -1 3 398.297 3.814 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)[C@@H]1CCCOC1)c1cc(Cl)ccc1C(F)(F)F ZINC001464723297 1065176223 /nfs/dbraw/zinc/17/62/23/1065176223.db2.gz OWXMMLXVMWALBF-IAQYHMDHSA-N -1 3 397.846 3.842 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCCCCC1 ZINC001464767964 1065200882 /nfs/dbraw/zinc/20/08/82/1065200882.db2.gz ZAMOPYZBVITULQ-UHFFFAOYSA-N -1 3 396.372 3.837 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1)C1CC1)c1c(F)cccc1OC(F)(F)F ZINC001464772468 1065203710 /nfs/dbraw/zinc/20/37/10/1065203710.db2.gz JLZAHGNEWXTNRM-AWEZNQCLSA-N -1 3 390.358 3.549 20 0 GHADHM CCN(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OC(C)(C)C ZINC001464787547 1065212308 /nfs/dbraw/zinc/21/23/08/1065212308.db2.gz BPTZGDNTZGQWOQ-UHFFFAOYSA-N -1 3 398.503 3.970 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1Cc1ccccc1)c1csnc1-c1ccccc1 ZINC001464813956 1065226338 /nfs/dbraw/zinc/22/63/38/1065226338.db2.gz ABNNZDRPJQHVIF-ZWKOTPCHSA-N -1 3 384.526 3.967 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1C[C@H]1C1CCCC1 ZINC001464855544 1065246549 /nfs/dbraw/zinc/24/65/49/1065246549.db2.gz UPFMUABOEYCCNN-HIFRSBDPSA-N -1 3 393.530 3.793 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1C ZINC001352885785 1065415492 /nfs/dbraw/zinc/41/54/92/1065415492.db2.gz KGAITBGQVZNSNP-UHFFFAOYSA-N -1 3 379.453 3.739 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)c1nocc1C(=O)Nc1cccc([O-])c1F ZINC000847624993 1065781179 /nfs/dbraw/zinc/78/11/79/1065781179.db2.gz ZWYZSWGOPUTIAV-UHFFFAOYSA-N -1 3 379.388 3.531 20 0 GHADHM CCCOc1cc(C)ccc1CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001465767420 1065840991 /nfs/dbraw/zinc/84/09/91/1065840991.db2.gz MCYGWXFTAPWITM-UHFFFAOYSA-N -1 3 386.398 3.834 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC001465912132 1065918524 /nfs/dbraw/zinc/91/85/24/1065918524.db2.gz ZWQHXBLJKQHBAC-HNNXBMFYSA-N -1 3 389.320 3.656 20 0 GHADHM CCCN(CC)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC001465960680 1065938340 /nfs/dbraw/zinc/93/83/40/1065938340.db2.gz GXAIPJAJNUQVQN-UHFFFAOYSA-N -1 3 392.297 3.716 20 0 GHADHM O=C(Cc1ccccc1N1CCCC1=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001466296244 1066079932 /nfs/dbraw/zinc/07/99/32/1066079932.db2.gz WOVCUKJQXFHWAK-UHFFFAOYSA-N -1 3 392.377 3.623 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001466631821 1066223517 /nfs/dbraw/zinc/22/35/17/1066223517.db2.gz AMTZNTGIVVBRCC-UHFFFAOYSA-N -1 3 386.148 3.578 20 0 GHADHM CCOc1nc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc2[nH]1 ZINC001466633238 1066225098 /nfs/dbraw/zinc/22/50/98/1066225098.db2.gz VGSMFTRPMDMXPD-UHFFFAOYSA-N -1 3 376.210 3.682 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc2cnccc2c1 ZINC001466817853 1066334084 /nfs/dbraw/zinc/33/40/84/1066334084.db2.gz UTEUZTSZSMTFQH-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM O=C(NC[C@@H](O)CCc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001466825715 1066339714 /nfs/dbraw/zinc/33/97/14/1066339714.db2.gz UGIVGZTURWPEHA-SFHVURJKSA-N -1 3 377.440 3.908 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCCc2ccc3[nH]ccc3c2)s1 ZINC001467392022 1067270825 /nfs/dbraw/zinc/27/08/25/1067270825.db2.gz SOAIKMDKAYACMH-UHFFFAOYSA-N -1 3 386.477 3.944 20 0 GHADHM CCc1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c([O-])c1 ZINC001467584636 1067371951 /nfs/dbraw/zinc/37/19/51/1067371951.db2.gz KGHTUOLEBSOOJL-QGZVFWFLSA-N -1 3 376.497 3.768 20 0 GHADHM O=C([N-]Cc1c(F)cccc1Cl)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001358400818 1067512588 /nfs/dbraw/zinc/51/25/88/1067512588.db2.gz UXCYMNLKYUKTEB-UHFFFAOYSA-N -1 3 380.757 3.603 20 0 GHADHM C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001468601890 1067787202 /nfs/dbraw/zinc/78/72/02/1067787202.db2.gz PTFPAAQMWDDKNK-UVMHCMFPSA-N -1 3 388.464 3.593 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC000849335158 1067803572 /nfs/dbraw/zinc/80/35/72/1067803572.db2.gz OFYOMKFTYLIQQB-NSHDSACASA-N -1 3 385.283 3.822 20 0 GHADHM O=C(CCCCc1ccc(I)cc1)[N-]OC/C=C/Cl ZINC001468690573 1067827753 /nfs/dbraw/zinc/82/77/53/1067827753.db2.gz HWUAJVMZGPXIRE-XCVCLJGOSA-N -1 3 393.652 3.804 20 0 GHADHM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc([O-])cc(Br)c1 ZINC001468751684 1067860579 /nfs/dbraw/zinc/86/05/79/1067860579.db2.gz YHZYESLMJUZPJG-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC(F)F)c([O-])c1 ZINC001469239152 1068050665 /nfs/dbraw/zinc/05/06/65/1068050665.db2.gz WDPOFKZEBYQEOF-UHFFFAOYSA-N -1 3 398.793 3.714 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)CCOCC2)cc1C ZINC001469326610 1068104323 /nfs/dbraw/zinc/10/43/23/1068104323.db2.gz LDTOPEKCSUFXBP-UHFFFAOYSA-N -1 3 399.491 3.669 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)CCOCC2)cc1C ZINC001469326610 1068104329 /nfs/dbraw/zinc/10/43/29/1068104329.db2.gz LDTOPEKCSUFXBP-UHFFFAOYSA-N -1 3 399.491 3.669 20 0 GHADHM O=C(NCc1cccc(Oc2ccc(F)cc2)n1)c1nnc2ccccc2c1[O-] ZINC001469838254 1068419392 /nfs/dbraw/zinc/41/93/92/1068419392.db2.gz GQLUNTVUFNMVOG-UHFFFAOYSA-N -1 3 390.374 3.592 20 0 GHADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CCCCC2)O1 ZINC001478220148 1078770917 /nfs/dbraw/zinc/77/09/17/1078770917.db2.gz GWNBYXLDJKLHSA-CYBMUJFWSA-N -1 3 397.313 3.788 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001478220670 1078771027 /nfs/dbraw/zinc/77/10/27/1078771027.db2.gz LQRKVRGIXZWMAZ-HOCLYGCPSA-N -1 3 379.298 3.875 20 0 GHADHM CCc1cc2c(CN(CC3CC3)[C@@](C)(CC)C(=O)OC)cc(=O)oc2cc1[O-] ZINC001460287105 1068907592 /nfs/dbraw/zinc/90/75/92/1068907592.db2.gz PWEWJKKTYWVBDU-QFIPXVFZSA-N -1 3 387.476 3.615 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3c4ccccc4C(C)(C)[C@H]3C)nc(=O)c2c1C ZINC001460415332 1068957129 /nfs/dbraw/zinc/95/71/29/1068957129.db2.gz KNQIZZRRSCYART-GFCCVEGCSA-N -1 3 397.500 3.766 20 0 GHADHM COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001460719974 1069120438 /nfs/dbraw/zinc/12/04/38/1069120438.db2.gz FYMSIKDOQLJSKJ-OAHLLOKOSA-N -1 3 394.258 3.596 20 0 GHADHM CCOc1ccccc1Oc1ccccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001470673342 1072681709 /nfs/dbraw/zinc/68/17/09/1072681709.db2.gz AWSIMGUVNVNXJT-UHFFFAOYSA-N -1 3 391.427 3.838 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC12CC2 ZINC001470949837 1072840753 /nfs/dbraw/zinc/84/07/53/1072840753.db2.gz ODFURYCCRXWVPE-PMACEKPBSA-N -1 3 378.472 3.702 20 0 GHADHM CC1(C)CC[C@H](C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC001471426651 1073067093 /nfs/dbraw/zinc/06/70/93/1073067093.db2.gz FDKFLFJYFPSRJQ-IRXDYDNUSA-N -1 3 396.453 3.733 20 0 GHADHM CCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)nc1 ZINC001471509464 1073109861 /nfs/dbraw/zinc/10/98/61/1073109861.db2.gz HZHXPJQGMSQRKZ-UHFFFAOYSA-N -1 3 399.447 3.836 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1CC=CC1 ZINC001471761265 1073212068 /nfs/dbraw/zinc/21/20/68/1073212068.db2.gz GBADVSKVAGJQLQ-NRFANRHFSA-N -1 3 378.472 3.726 20 0 GHADHM O=C(NC[C@]12C[C@H]1CCC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001472001362 1073299661 /nfs/dbraw/zinc/29/96/61/1073299661.db2.gz BPPMRCADKTVMMM-XLFHBGCDSA-N -1 3 395.684 3.864 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCc2c(Cl)ccc(Br)c2C1 ZINC001472166718 1073355031 /nfs/dbraw/zinc/35/50/31/1073355031.db2.gz VPTDHEAEUGBVDP-UHFFFAOYSA-N -1 3 382.641 3.712 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H](C)C3(C)CC3)c2)c1 ZINC001472219133 1073373288 /nfs/dbraw/zinc/37/32/88/1073373288.db2.gz ICVGCDBTRLKYON-CYBMUJFWSA-N -1 3 398.459 3.580 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccn(Cc3ccccc3)c2C)c([O-])c(OC)c1 ZINC001472230333 1073376566 /nfs/dbraw/zinc/37/65/66/1073376566.db2.gz URUWKZFAYJQBBY-UHFFFAOYSA-N -1 3 394.427 3.598 20 0 GHADHM CCc1cccc(C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001472438629 1073489551 /nfs/dbraw/zinc/48/95/51/1073489551.db2.gz WCKAEASXQWBQLA-INIZCTEOSA-N -1 3 376.497 3.816 20 0 GHADHM CC[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cc(C)ccc1C ZINC001479122106 1079112525 /nfs/dbraw/zinc/11/25/25/1079112525.db2.gz FQZZIBYHGWIXSM-KRWDZBQOSA-N -1 3 399.457 3.855 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC001472540841 1073540643 /nfs/dbraw/zinc/54/06/43/1073540643.db2.gz RFSFMASTTHZOBD-KRWDZBQOSA-N -1 3 392.496 3.604 20 0 GHADHM Cc1cc(NC(=O)CCc2c(C)nc[n-]c2=O)cc(NC(=O)OC(C)(C)C)c1 ZINC001472608634 1073572667 /nfs/dbraw/zinc/57/26/67/1073572667.db2.gz FAINFYUFTDBWNP-UHFFFAOYSA-N -1 3 386.452 3.717 20 0 GHADHM COC(=O)c1sc2nc(C)nc(NCCc3c(F)cc([O-])cc3F)c2c1C ZINC001472886745 1073713278 /nfs/dbraw/zinc/71/32/78/1073713278.db2.gz VSRRKDCYWLDKEV-UHFFFAOYSA-N -1 3 393.415 3.733 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001473164741 1073823434 /nfs/dbraw/zinc/82/34/34/1073823434.db2.gz VZCJHUQHIRJRSI-IBGZPJMESA-N -1 3 388.462 3.607 20 0 GHADHM C[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(NC(=O)C2CC2)cc1 ZINC001473319388 1073918771 /nfs/dbraw/zinc/91/87/71/1073918771.db2.gz SMSGPNQASAWMIJ-ZDUSSCGKSA-N -1 3 378.432 3.642 20 0 GHADHM O=c1cc(CN2CCCN(c3ccccc3F)CC2)nc(-c2ccccc2)[n-]1 ZINC001473448608 1073968159 /nfs/dbraw/zinc/96/81/59/1073968159.db2.gz AHEVEQIQKQUHNT-UHFFFAOYSA-N -1 3 378.451 3.701 20 0 GHADHM O=C([N-]CC[C@H]1CN(Cc2ccc3c(c2)COC3)c2ccccc21)C(F)(F)F ZINC001473727702 1074111654 /nfs/dbraw/zinc/11/16/54/1074111654.db2.gz MKENZEPLOLQWOR-HNNXBMFYSA-N -1 3 390.405 3.889 20 0 GHADHM NC(=O)C[C@H](NCc1cccc([O-])c1Br)c1ccccc1Cl ZINC001474090648 1074260237 /nfs/dbraw/zinc/26/02/37/1074260237.db2.gz LJUCVGFSDVUBGG-ZDUSSCGKSA-N -1 3 383.673 3.514 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(F)c2)[C@@H](c2cccnc2)C1 ZINC001474474306 1074423576 /nfs/dbraw/zinc/42/35/76/1074423576.db2.gz FUCDHRXPNFBICD-GOSISDBHSA-N -1 3 387.455 3.720 20 0 GHADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)N(C)C)cc1 ZINC001474776084 1074556005 /nfs/dbraw/zinc/55/60/05/1074556005.db2.gz WDNSTPNPLFCKDP-OAHLLOKOSA-N -1 3 386.970 3.854 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1Cl ZINC001474784482 1074561974 /nfs/dbraw/zinc/56/19/74/1074561974.db2.gz MTWGQXSSXGCGLT-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)c(F)c1 ZINC001474823524 1074579238 /nfs/dbraw/zinc/57/92/38/1074579238.db2.gz YNNZUQNFCRHGCB-QGZVFWFLSA-N -1 3 393.480 3.721 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)sc1Br ZINC001474870972 1074603579 /nfs/dbraw/zinc/60/35/79/1074603579.db2.gz JPBLJYQLWMCFFK-GFCCVEGCSA-N -1 3 390.299 3.924 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)o1 ZINC001474982792 1074666563 /nfs/dbraw/zinc/66/65/63/1074666563.db2.gz LJVCKLFISXRKCN-QGZVFWFLSA-N -1 3 395.521 3.948 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1Cl)[N-]Cc1c(F)c(F)cc(F)c1F ZINC001475055680 1074713402 /nfs/dbraw/zinc/71/34/02/1074713402.db2.gz SBVRTKPSYOGQGV-UHFFFAOYSA-N -1 3 385.741 3.655 20 0 GHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001475163110 1074764618 /nfs/dbraw/zinc/76/46/18/1074764618.db2.gz YRSTZCOHAKQQCY-ZWNOBZJWSA-N -1 3 388.942 3.822 20 0 GHADHM CS[C@H](C[N-]S(=O)(=O)c1sc(Br)cc1C)C(C)(C)C ZINC001475188786 1074776326 /nfs/dbraw/zinc/77/63/26/1074776326.db2.gz OTXFEMNVFTUEFT-SECBINFHSA-N -1 3 386.402 3.875 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)c1cccc(C)c1C ZINC001475221697 1074792435 /nfs/dbraw/zinc/79/24/35/1074792435.db2.gz HNIPNOGVQGPMCP-SFHVURJKSA-N -1 3 381.538 3.653 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cccnc1Oc1ccc(F)cc1 ZINC001475255413 1074807184 /nfs/dbraw/zinc/80/71/84/1074807184.db2.gz XPWDLIIXSUYRKI-GFCCVEGCSA-N -1 3 386.395 3.727 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCCc2c[nH]c3ccc(F)cc23)c(F)cc1F ZINC001475293234 1074825197 /nfs/dbraw/zinc/82/51/97/1074825197.db2.gz GEOHYPNXBMMTOY-UHFFFAOYSA-N -1 3 382.407 3.805 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(c2ccccc2F)C1)c1cccc(Cl)c1Cl ZINC001475355714 1074845622 /nfs/dbraw/zinc/84/56/22/1074845622.db2.gz BOXDKLYCWHVFTH-NSHDSACASA-N -1 3 389.279 3.690 20 0 GHADHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC001475372303 1074852858 /nfs/dbraw/zinc/85/28/58/1074852858.db2.gz OLIVSNGASNNAAO-QWHCGFSZSA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccccc1F)c1cc(Cl)ccc1Cl ZINC001475427523 1074871494 /nfs/dbraw/zinc/87/14/94/1074871494.db2.gz WJPJSERZSIUBCZ-AWEZNQCLSA-N -1 3 378.252 3.535 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC001475457372 1074881875 /nfs/dbraw/zinc/88/18/75/1074881875.db2.gz UXCQUEILUHXAQX-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCC1CCC1 ZINC001475506485 1074900362 /nfs/dbraw/zinc/90/03/62/1074900362.db2.gz VPSKJRFIJGQPJE-UHFFFAOYSA-N -1 3 396.734 3.970 20 0 GHADHM O=S(=O)([N-][C@@H](CF)c1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC001475604042 1074925087 /nfs/dbraw/zinc/92/50/87/1074925087.db2.gz OHKFGXIKHGCPAS-AWEZNQCLSA-N -1 3 394.212 3.716 20 0 GHADHM O=S(=O)([N-]CC(F)(F)c1cc(F)cc(F)c1)c1ccc(F)c(Cl)c1 ZINC001475634019 1074989993 /nfs/dbraw/zinc/98/99/93/1074989993.db2.gz ZFFROBXICCDILS-UHFFFAOYSA-N -1 3 385.741 3.828 20 0 GHADHM CSC1CCC(C[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC001475670145 1074996654 /nfs/dbraw/zinc/99/66/54/1074996654.db2.gz FTXVHCBPBOGPHK-UHFFFAOYSA-N -1 3 396.347 3.788 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001475698319 1075001303 /nfs/dbraw/zinc/00/13/03/1075001303.db2.gz UNOXDIMPFSKRTH-SFHVURJKSA-N -1 3 393.480 3.637 20 0 GHADHM Fc1cccc(C2(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1 ZINC000737665671 598828353 /nfs/dbraw/zinc/82/83/53/598828353.db2.gz IGXXWQPZLCAPSE-UHFFFAOYSA-N -1 3 388.859 3.635 20 0 GHADHM Fc1cccc(C2(NC(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1 ZINC000737665671 598828355 /nfs/dbraw/zinc/82/83/55/598828355.db2.gz IGXXWQPZLCAPSE-UHFFFAOYSA-N -1 3 388.859 3.635 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H]2CCC[C@@H](C)C2)c1C ZINC000737503622 598840538 /nfs/dbraw/zinc/84/05/38/598840538.db2.gz QMFMJWJPBBQKIH-CJNGLKHVSA-N -1 3 393.495 3.824 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736174759 598857157 /nfs/dbraw/zinc/85/71/57/598857157.db2.gz OFGNCOKZHRFTNW-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736174759 598857160 /nfs/dbraw/zinc/85/71/60/598857160.db2.gz OFGNCOKZHRFTNW-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000737955987 598865054 /nfs/dbraw/zinc/86/50/54/598865054.db2.gz RFVMNGIXRBEDRX-MOPGFXCFSA-N -1 3 380.423 3.818 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000737955987 598865055 /nfs/dbraw/zinc/86/50/55/598865055.db2.gz RFVMNGIXRBEDRX-MOPGFXCFSA-N -1 3 380.423 3.818 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000736037865 598883156 /nfs/dbraw/zinc/88/31/56/598883156.db2.gz PMBKBGWMEGCUQZ-KGLIPLIRSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000736037865 598883157 /nfs/dbraw/zinc/88/31/57/598883157.db2.gz PMBKBGWMEGCUQZ-KGLIPLIRSA-N -1 3 384.411 3.510 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738158443 598889949 /nfs/dbraw/zinc/88/99/49/598889949.db2.gz GRXIUUAAXGIGJK-UHFFFAOYSA-N -1 3 378.436 3.970 20 0 GHADHM O=C(Nc1ccc(COC2CCCC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738158443 598889950 /nfs/dbraw/zinc/88/99/50/598889950.db2.gz GRXIUUAAXGIGJK-UHFFFAOYSA-N -1 3 378.436 3.970 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736332557 598890042 /nfs/dbraw/zinc/89/00/42/598890042.db2.gz RNSOZAYZOGYYJO-QWHCGFSZSA-N -1 3 384.509 3.829 20 0 GHADHM CCC1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000736400719 598890250 /nfs/dbraw/zinc/89/02/50/598890250.db2.gz BDPGGNGSSKTWSW-UHFFFAOYSA-N -1 3 396.520 3.927 20 0 GHADHM CC[C@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(C)C ZINC000736365192 598890597 /nfs/dbraw/zinc/89/05/97/598890597.db2.gz VQLOXSJTRMLFDG-HNNXBMFYSA-N -1 3 384.509 3.829 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735701000 598905538 /nfs/dbraw/zinc/90/55/38/598905538.db2.gz IVWAXXOCQGPNRZ-CYBMUJFWSA-N -1 3 384.509 3.781 20 0 GHADHM CC(C)(CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735665192 598906906 /nfs/dbraw/zinc/90/69/06/598906906.db2.gz FTXRLVSKUANZAL-UHFFFAOYSA-N -1 3 399.520 3.571 20 0 GHADHM CC(C)(CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735665192 598906907 /nfs/dbraw/zinc/90/69/07/598906907.db2.gz FTXRLVSKUANZAL-UHFFFAOYSA-N -1 3 399.520 3.571 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924775 598910965 /nfs/dbraw/zinc/91/09/65/598910965.db2.gz UNPSBECGAQIJGY-PMACEKPBSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924775 598910968 /nfs/dbraw/zinc/91/09/68/598910968.db2.gz UNPSBECGAQIJGY-PMACEKPBSA-N -1 3 375.476 3.752 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000737191613 598911629 /nfs/dbraw/zinc/91/16/29/598911629.db2.gz PQFBCRLPCFBSHY-JTQLQIEISA-N -1 3 389.506 3.673 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737191613 598911630 /nfs/dbraw/zinc/91/16/30/598911630.db2.gz PQFBCRLPCFBSHY-JTQLQIEISA-N -1 3 389.506 3.673 20 0 GHADHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000114677053 598925230 /nfs/dbraw/zinc/92/52/30/598925230.db2.gz OXVSTCPJWQVQKB-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000114677053 598925232 /nfs/dbraw/zinc/92/52/32/598925232.db2.gz OXVSTCPJWQVQKB-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735703644 598925581 /nfs/dbraw/zinc/92/55/81/598925581.db2.gz VXBMFESZBUIQLH-OAHLLOKOSA-N -1 3 379.464 3.562 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735703644 598925583 /nfs/dbraw/zinc/92/55/83/598925583.db2.gz VXBMFESZBUIQLH-OAHLLOKOSA-N -1 3 379.464 3.562 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736473485 598926624 /nfs/dbraw/zinc/92/66/24/598926624.db2.gz QSURLPSLFNIYIP-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736473485 598926625 /nfs/dbraw/zinc/92/66/25/598926625.db2.gz QSURLPSLFNIYIP-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CCCc1cc(=O)oc2cc(Oc3ncc(-c4nnn[n-]4)cc3Cl)ccc12 ZINC000736497174 598934230 /nfs/dbraw/zinc/93/42/30/598934230.db2.gz DSOOTSHTHCRCNL-UHFFFAOYSA-N -1 3 383.795 3.766 20 0 GHADHM CCCc1cc(=O)oc2cc(Oc3ncc(-c4nn[n-]n4)cc3Cl)ccc12 ZINC000736497174 598934232 /nfs/dbraw/zinc/93/42/32/598934232.db2.gz DSOOTSHTHCRCNL-UHFFFAOYSA-N -1 3 383.795 3.766 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736399841 598942162 /nfs/dbraw/zinc/94/21/62/598942162.db2.gz KPOZRPUKIMKWRX-WMLDXEAASA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736399841 598942164 /nfs/dbraw/zinc/94/21/64/598942164.db2.gz KPOZRPUKIMKWRX-WMLDXEAASA-N -1 3 392.463 3.753 20 0 GHADHM CCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736471055 598953881 /nfs/dbraw/zinc/95/38/81/598953881.db2.gz HAMSYOAEXXFZDP-GOSISDBHSA-N -1 3 399.520 3.727 20 0 GHADHM CCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736471055 598953883 /nfs/dbraw/zinc/95/38/83/598953883.db2.gz HAMSYOAEXXFZDP-GOSISDBHSA-N -1 3 399.520 3.727 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737359475 598966992 /nfs/dbraw/zinc/96/69/92/598966992.db2.gz GWVSDMRZNPKACA-UHFFFAOYSA-N -1 3 378.314 3.560 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737359475 598966994 /nfs/dbraw/zinc/96/69/94/598966994.db2.gz GWVSDMRZNPKACA-UHFFFAOYSA-N -1 3 378.314 3.560 20 0 GHADHM Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1Oc1ccncc1 ZINC000737316589 598980459 /nfs/dbraw/zinc/98/04/59/598980459.db2.gz ZFZYMYUOKRCFST-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1Oc1ccncc1 ZINC000737316589 598980461 /nfs/dbraw/zinc/98/04/61/598980461.db2.gz ZFZYMYUOKRCFST-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(NCCC1CCCC1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738056866 598988287 /nfs/dbraw/zinc/98/82/87/598988287.db2.gz VMGKLNHEFGDBMF-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM O=C(NCCC1CCCC1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738056866 598988288 /nfs/dbraw/zinc/98/82/88/598988288.db2.gz VMGKLNHEFGDBMF-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM C[C@H]1CCC[C@H](CCNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736253986 599016931 /nfs/dbraw/zinc/01/69/31/599016931.db2.gz XDQKBACFBQSZII-DLBZAZTESA-N -1 3 385.512 3.748 20 0 GHADHM C[C@H]1CCC[C@H](CCNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736253986 599016932 /nfs/dbraw/zinc/01/69/32/599016932.db2.gz XDQKBACFBQSZII-DLBZAZTESA-N -1 3 385.512 3.748 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736397440 599022381 /nfs/dbraw/zinc/02/23/81/599022381.db2.gz VBGRSBYMVBMORV-JQWIXIFHSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736397440 599022382 /nfs/dbraw/zinc/02/23/82/599022382.db2.gz VBGRSBYMVBMORV-JQWIXIFHSA-N -1 3 380.399 3.558 20 0 GHADHM Fc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737649203 599042614 /nfs/dbraw/zinc/04/26/14/599042614.db2.gz KXOVEXSUHPYUJG-UHFFFAOYSA-N -1 3 390.344 3.713 20 0 GHADHM Fc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737649203 599042617 /nfs/dbraw/zinc/04/26/17/599042617.db2.gz KXOVEXSUHPYUJG-UHFFFAOYSA-N -1 3 390.344 3.713 20 0 GHADHM COC(C)(C)C[C@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000821672646 599045577 /nfs/dbraw/zinc/04/55/77/599045577.db2.gz SDKQPPQXZLAUDM-ZDUSSCGKSA-N -1 3 379.468 3.592 20 0 GHADHM COC(C)(C)C[C@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000821672646 599045580 /nfs/dbraw/zinc/04/55/80/599045580.db2.gz SDKQPPQXZLAUDM-ZDUSSCGKSA-N -1 3 379.468 3.592 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1Cl ZINC000736192025 599062586 /nfs/dbraw/zinc/06/25/86/599062586.db2.gz JWZDAYZSCVFOBZ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1Cl ZINC000736192025 599062589 /nfs/dbraw/zinc/06/25/89/599062589.db2.gz JWZDAYZSCVFOBZ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000737946364 599063964 /nfs/dbraw/zinc/06/39/64/599063964.db2.gz CMRCQRMARWHAMH-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000737946364 599063965 /nfs/dbraw/zinc/06/39/65/599063965.db2.gz CMRCQRMARWHAMH-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736656020 599066249 /nfs/dbraw/zinc/06/62/49/599066249.db2.gz ZRZDYMZAEDARAM-NSHDSACASA-N -1 3 387.440 3.524 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736656020 599066250 /nfs/dbraw/zinc/06/62/50/599066250.db2.gz ZRZDYMZAEDARAM-NSHDSACASA-N -1 3 387.440 3.524 20 0 GHADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000735561793 599069616 /nfs/dbraw/zinc/06/96/16/599069616.db2.gz LYQINMSRNOWBQQ-AWEZNQCLSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000735561793 599069620 /nfs/dbraw/zinc/06/96/20/599069620.db2.gz LYQINMSRNOWBQQ-AWEZNQCLSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736244487 599070475 /nfs/dbraw/zinc/07/04/75/599070475.db2.gz IMWFAGGYOLEHTH-ZFWWWQNUSA-N -1 3 378.436 3.819 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)s1 ZINC000736678287 599070941 /nfs/dbraw/zinc/07/09/41/599070941.db2.gz BDUMOYORGHASAV-WDEREUQCSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)s1 ZINC000736678287 599070944 /nfs/dbraw/zinc/07/09/44/599070944.db2.gz BDUMOYORGHASAV-WDEREUQCSA-N -1 3 375.404 3.511 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000735559910 599072214 /nfs/dbraw/zinc/07/22/14/599072214.db2.gz NSMXFILQCGJQEU-AWEZNQCLSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000735559910 599072217 /nfs/dbraw/zinc/07/22/17/599072217.db2.gz NSMXFILQCGJQEU-AWEZNQCLSA-N -1 3 389.415 3.781 20 0 GHADHM C[C@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820286598 599080343 /nfs/dbraw/zinc/08/03/43/599080343.db2.gz CTQVVFGQBZJFLT-GFCCVEGCSA-N -1 3 377.370 3.903 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737328188 599082832 /nfs/dbraw/zinc/08/28/32/599082832.db2.gz DUYQMUGLUUHUNP-MRXNPFEDSA-N -1 3 383.477 3.614 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328188 599082834 /nfs/dbraw/zinc/08/28/34/599082834.db2.gz DUYQMUGLUUHUNP-MRXNPFEDSA-N -1 3 383.477 3.614 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736682901 599084546 /nfs/dbraw/zinc/08/45/46/599084546.db2.gz CBVIAZMJEJZGKG-QGZVFWFLSA-N -1 3 397.504 3.868 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736682901 599084548 /nfs/dbraw/zinc/08/45/48/599084548.db2.gz CBVIAZMJEJZGKG-QGZVFWFLSA-N -1 3 397.504 3.868 20 0 GHADHM Fc1ccc(CSCc2ccc(OCC(F)(F)F)nc2)c(-c2nnn[n-]2)c1 ZINC000822774183 607258341 /nfs/dbraw/zinc/25/83/41/607258341.db2.gz GNBLLJVUPVBZNN-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Fc1ccc(CSCc2ccc(OCC(F)(F)F)nc2)c(-c2nn[n-]n2)c1 ZINC000822774183 607258342 /nfs/dbraw/zinc/25/83/42/607258342.db2.gz GNBLLJVUPVBZNN-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736245503 599087076 /nfs/dbraw/zinc/08/70/76/599087076.db2.gz SKEQYAGCESBLHF-GJZGRUSLSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736245503 599087080 /nfs/dbraw/zinc/08/70/80/599087080.db2.gz SKEQYAGCESBLHF-GJZGRUSLSA-N -1 3 392.463 3.705 20 0 GHADHM CCC(CC)(CC)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736333699 599088721 /nfs/dbraw/zinc/08/87/21/599088721.db2.gz BSDQSDDEPXVINV-UHFFFAOYSA-N -1 3 383.452 3.737 20 0 GHADHM CCC(CC)(CC)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736333699 599088724 /nfs/dbraw/zinc/08/87/24/599088724.db2.gz BSDQSDDEPXVINV-UHFFFAOYSA-N -1 3 383.452 3.737 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736558414 599096201 /nfs/dbraw/zinc/09/62/01/599096201.db2.gz JLWXSEUKGCXBHS-UHFFFAOYSA-N -1 3 390.472 3.653 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736558414 599096203 /nfs/dbraw/zinc/09/62/03/599096203.db2.gz JLWXSEUKGCXBHS-UHFFFAOYSA-N -1 3 390.472 3.653 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820564103 599120879 /nfs/dbraw/zinc/12/08/79/599120879.db2.gz YMAWICOHPIZRGA-SNVBAGLBSA-N -1 3 397.287 3.850 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820564103 599120881 /nfs/dbraw/zinc/12/08/81/599120881.db2.gz YMAWICOHPIZRGA-SNVBAGLBSA-N -1 3 397.287 3.850 20 0 GHADHM COc1ccccc1[C@H](C)SCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821882978 599127956 /nfs/dbraw/zinc/12/79/56/599127956.db2.gz OUNBUIBFKKKILE-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccccc1[C@H](C)SCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821882978 599127957 /nfs/dbraw/zinc/12/79/57/599127957.db2.gz OUNBUIBFKKKILE-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821882750 599128453 /nfs/dbraw/zinc/12/84/53/599128453.db2.gz JQYHRAPIRXQQTF-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821882750 599128456 /nfs/dbraw/zinc/12/84/56/599128456.db2.gz JQYHRAPIRXQQTF-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM CC(C)[C@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820017376 599134413 /nfs/dbraw/zinc/13/44/13/599134413.db2.gz VLPPYMUNMDJBTP-IBGZPJMESA-N -1 3 395.532 3.656 20 0 GHADHM CC(C)[C@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820017376 599134415 /nfs/dbraw/zinc/13/44/15/599134415.db2.gz VLPPYMUNMDJBTP-IBGZPJMESA-N -1 3 395.532 3.656 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(F)(F)F ZINC000819876740 599140959 /nfs/dbraw/zinc/14/09/59/599140959.db2.gz JKDNLJPWRIZVDL-NSHDSACASA-N -1 3 391.353 3.583 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764528 599145922 /nfs/dbraw/zinc/14/59/22/599145922.db2.gz IERQHTFHYPEXNP-FMIVXFBMSA-N -1 3 387.365 3.952 20 0 GHADHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764528 599145924 /nfs/dbraw/zinc/14/59/24/599145924.db2.gz IERQHTFHYPEXNP-FMIVXFBMSA-N -1 3 387.365 3.952 20 0 GHADHM C/C(=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819766061 599152436 /nfs/dbraw/zinc/15/24/36/599152436.db2.gz UTYBZYJEIFZOEH-VAWYXSNFSA-N -1 3 379.468 3.600 20 0 GHADHM CCc1cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000736676140 599156769 /nfs/dbraw/zinc/15/67/69/599156769.db2.gz APFILKKMMYZACX-UHFFFAOYSA-N -1 3 382.811 3.712 20 0 GHADHM CCc1cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000736676140 599156772 /nfs/dbraw/zinc/15/67/72/599156772.db2.gz APFILKKMMYZACX-UHFFFAOYSA-N -1 3 382.811 3.712 20 0 GHADHM Cc1ccc(CCNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737337744 599167310 /nfs/dbraw/zinc/16/73/10/599167310.db2.gz QDCPMYUCFDXPHL-UHFFFAOYSA-N -1 3 383.455 3.815 20 0 GHADHM Cc1ccc(CCNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737337744 599167313 /nfs/dbraw/zinc/16/73/13/599167313.db2.gz QDCPMYUCFDXPHL-UHFFFAOYSA-N -1 3 383.455 3.815 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000735735971 599168184 /nfs/dbraw/zinc/16/81/84/599168184.db2.gz RALNWEGCJXCHMH-VMGRFDJRSA-N -1 3 391.516 3.817 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000735735971 599168185 /nfs/dbraw/zinc/16/81/85/599168185.db2.gz RALNWEGCJXCHMH-VMGRFDJRSA-N -1 3 391.516 3.817 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736190007 599168525 /nfs/dbraw/zinc/16/85/25/599168525.db2.gz DRCAGWGRXDYJGK-CHWSQXEVSA-N -1 3 397.479 3.854 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736190007 599168528 /nfs/dbraw/zinc/16/85/28/599168528.db2.gz DRCAGWGRXDYJGK-CHWSQXEVSA-N -1 3 397.479 3.854 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735642502 599180126 /nfs/dbraw/zinc/18/01/26/599180126.db2.gz BUKVMMXULDVBLZ-MUUNZHRXSA-N -1 3 398.492 3.558 20 0 GHADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735642502 599180129 /nfs/dbraw/zinc/18/01/29/599180129.db2.gz BUKVMMXULDVBLZ-MUUNZHRXSA-N -1 3 398.492 3.558 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100566 599182150 /nfs/dbraw/zinc/18/21/50/599182150.db2.gz KDFUUSHTTATRIQ-JKSUJKDBSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100566 599182152 /nfs/dbraw/zinc/18/21/52/599182152.db2.gz KDFUUSHTTATRIQ-JKSUJKDBSA-N -1 3 388.258 3.593 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000736637900 599188444 /nfs/dbraw/zinc/18/84/44/599188444.db2.gz UNWQWBLWUJPJIW-OAHLLOKOSA-N -1 3 382.424 3.536 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000736637900 599188446 /nfs/dbraw/zinc/18/84/46/599188446.db2.gz UNWQWBLWUJPJIW-OAHLLOKOSA-N -1 3 382.424 3.536 20 0 GHADHM CC(C)n1ccc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000735966552 599192718 /nfs/dbraw/zinc/19/27/18/599192718.db2.gz UCSPCDBHJQVFNB-UHFFFAOYSA-N -1 3 377.477 3.998 20 0 GHADHM CC(C)n1ccc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000735966552 599192721 /nfs/dbraw/zinc/19/27/21/599192721.db2.gz UCSPCDBHJQVFNB-UHFFFAOYSA-N -1 3 377.477 3.998 20 0 GHADHM O=C(NCc1ccoc1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738124372 599196729 /nfs/dbraw/zinc/19/67/29/599196729.db2.gz MNAHUMDBMGLLKX-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NCc1ccoc1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738124372 599196731 /nfs/dbraw/zinc/19/67/31/599196731.db2.gz MNAHUMDBMGLLKX-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000738253612 599198282 /nfs/dbraw/zinc/19/82/82/599198282.db2.gz DZBYQQAJNYYCRC-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000738253612 599198284 /nfs/dbraw/zinc/19/82/84/599198284.db2.gz DZBYQQAJNYYCRC-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM COCCN(C(=O)CCCCc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989108 599202316 /nfs/dbraw/zinc/20/23/16/599202316.db2.gz RHGMATRPXWKTQN-UHFFFAOYSA-N -1 3 393.491 3.568 20 0 GHADHM COCCN(C(=O)CCCCc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989108 599202318 /nfs/dbraw/zinc/20/23/18/599202318.db2.gz RHGMATRPXWKTQN-UHFFFAOYSA-N -1 3 393.491 3.568 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@@H]1Cc2ccccc21 ZINC000738112796 599203090 /nfs/dbraw/zinc/20/30/90/599203090.db2.gz SQAWXMBISFJXHF-QGZVFWFLSA-N -1 3 387.468 3.551 20 0 GHADHM CS[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737171738 599210612 /nfs/dbraw/zinc/21/06/12/599210612.db2.gz PMJFUPSBKABXQQ-GFCCVEGCSA-N -1 3 387.896 3.805 20 0 GHADHM CS[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737171738 599210614 /nfs/dbraw/zinc/21/06/14/599210614.db2.gz PMJFUPSBKABXQQ-GFCCVEGCSA-N -1 3 387.896 3.805 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822520205 599221494 /nfs/dbraw/zinc/22/14/94/599221494.db2.gz SXBODVAEMQMVOE-UHFFFAOYSA-N -1 3 394.366 3.655 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822520205 599221497 /nfs/dbraw/zinc/22/14/97/599221497.db2.gz SXBODVAEMQMVOE-UHFFFAOYSA-N -1 3 394.366 3.655 20 0 GHADHM Fc1ccc(-n2ccc(CSCc3ccc(F)cc3-c3nnn[n-]3)n2)cc1 ZINC000822761913 599224412 /nfs/dbraw/zinc/22/44/12/599224412.db2.gz VVGNMDWZAHDPDS-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Fc1ccc(-n2ccc(CSCc3ccc(F)cc3-c3nn[n-]n3)n2)cc1 ZINC000822761913 599224413 /nfs/dbraw/zinc/22/44/13/599224413.db2.gz VVGNMDWZAHDPDS-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357690 607261756 /nfs/dbraw/zinc/26/17/56/607261756.db2.gz IRZUJRFIVNNGKW-FZKQIMNGSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357690 607261757 /nfs/dbraw/zinc/26/17/57/607261757.db2.gz IRZUJRFIVNNGKW-FZKQIMNGSA-N -1 3 376.464 3.650 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1C2CCCC1CCC2 ZINC000738270390 599227345 /nfs/dbraw/zinc/22/73/45/599227345.db2.gz QNRJMPMFAAKAMC-UHFFFAOYSA-N -1 3 390.447 3.601 20 0 GHADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1C2CCCC1CCC2 ZINC000738270390 599227347 /nfs/dbraw/zinc/22/73/47/599227347.db2.gz QNRJMPMFAAKAMC-UHFFFAOYSA-N -1 3 390.447 3.601 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(SC(F)F)cc1 ZINC000823237756 599237010 /nfs/dbraw/zinc/23/70/10/599237010.db2.gz AUVSHIFKURULIT-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(SC(F)F)cc1 ZINC000823237756 599237011 /nfs/dbraw/zinc/23/70/11/599237011.db2.gz AUVSHIFKURULIT-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM CCN(C(=O)CNc1c(C)cccc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504286 599238676 /nfs/dbraw/zinc/23/86/76/599238676.db2.gz CSDYCTOCOMFYPY-MRXNPFEDSA-N -1 3 378.480 3.505 20 0 GHADHM CCN(C(=O)CNc1c(C)cccc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504286 599238678 /nfs/dbraw/zinc/23/86/78/599238678.db2.gz CSDYCTOCOMFYPY-MRXNPFEDSA-N -1 3 378.480 3.505 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccc(Cl)cc1 ZINC000822116038 607269996 /nfs/dbraw/zinc/26/99/96/607269996.db2.gz KZOWWMFUUNFIBQ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccc(Cl)cc1 ZINC000822116038 607269997 /nfs/dbraw/zinc/26/99/97/607269997.db2.gz KZOWWMFUUNFIBQ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(NC(=O)CSc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822076771 607268999 /nfs/dbraw/zinc/26/89/99/607268999.db2.gz RUENOZLJYUIEIP-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM Cc1c(NC(=O)CSc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822076771 607269000 /nfs/dbraw/zinc/26/90/00/607269000.db2.gz RUENOZLJYUIEIP-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000735874836 599248168 /nfs/dbraw/zinc/24/81/68/599248168.db2.gz NBVXFVFTHXICAH-SFHVURJKSA-N -1 3 391.475 3.560 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000735874836 599248171 /nfs/dbraw/zinc/24/81/71/599248171.db2.gz NBVXFVFTHXICAH-SFHVURJKSA-N -1 3 391.475 3.560 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821891292 607280389 /nfs/dbraw/zinc/28/03/89/607280389.db2.gz ZSYVRNOWLLCOHC-QGZVFWFLSA-N -1 3 378.436 3.553 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821891292 607280390 /nfs/dbraw/zinc/28/03/90/607280390.db2.gz ZSYVRNOWLLCOHC-QGZVFWFLSA-N -1 3 378.436 3.553 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822083566 607286388 /nfs/dbraw/zinc/28/63/88/607286388.db2.gz CLETVFRKOSLGIC-KRWDZBQOSA-N -1 3 384.390 3.822 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822083566 607286389 /nfs/dbraw/zinc/28/63/89/607286389.db2.gz CLETVFRKOSLGIC-KRWDZBQOSA-N -1 3 384.390 3.822 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)cc2)c1 ZINC000737380775 599261983 /nfs/dbraw/zinc/26/19/83/599261983.db2.gz RHROLFZLIARDEN-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)c3sccc3-c3nn[n-]n3)cc2)c1 ZINC000737380775 599261986 /nfs/dbraw/zinc/26/19/86/599261986.db2.gz RHROLFZLIARDEN-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CC(F)(F)F)c1ccccc1 ZINC000737943714 599260645 /nfs/dbraw/zinc/26/06/45/599260645.db2.gz WFETUVYZAKLCQM-UHFFFAOYSA-N -1 3 393.394 3.554 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CC(F)(F)F)c1ccccc1 ZINC000737943714 599260646 /nfs/dbraw/zinc/26/06/46/599260646.db2.gz WFETUVYZAKLCQM-UHFFFAOYSA-N -1 3 393.394 3.554 20 0 GHADHM CN(Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)OC(C)(C)C ZINC000821614741 607313067 /nfs/dbraw/zinc/31/30/67/607313067.db2.gz SSKQEVLXNJRNPJ-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM CN(Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OC(C)(C)C ZINC000821614741 607313068 /nfs/dbraw/zinc/31/30/68/607313068.db2.gz SSKQEVLXNJRNPJ-UHFFFAOYSA-N -1 3 394.479 3.846 20 0 GHADHM COc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC1CCCC1 ZINC000821835817 607313482 /nfs/dbraw/zinc/31/34/82/607313482.db2.gz SNOMEKOENFWMBD-UHFFFAOYSA-N -1 3 395.463 3.817 20 0 GHADHM COc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC1CCCC1 ZINC000821835817 607313483 /nfs/dbraw/zinc/31/34/83/607313483.db2.gz SNOMEKOENFWMBD-UHFFFAOYSA-N -1 3 395.463 3.817 20 0 GHADHM O=C(Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1)N1CCCCCC1 ZINC000823350679 607315288 /nfs/dbraw/zinc/31/52/88/607315288.db2.gz WVZRXSZQWBHMBP-UHFFFAOYSA-N -1 3 391.479 3.887 20 0 GHADHM O=C(Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1)N1CCCCCC1 ZINC000823350679 607315289 /nfs/dbraw/zinc/31/52/89/607315289.db2.gz WVZRXSZQWBHMBP-UHFFFAOYSA-N -1 3 391.479 3.887 20 0 GHADHM Clc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1N1CCSCC1 ZINC000822568659 607315328 /nfs/dbraw/zinc/31/53/28/607315328.db2.gz VNYWQEMGDULTMZ-UHFFFAOYSA-N -1 3 386.912 3.685 20 0 GHADHM Clc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1N1CCSCC1 ZINC000822568659 607315329 /nfs/dbraw/zinc/31/53/29/607315329.db2.gz VNYWQEMGDULTMZ-UHFFFAOYSA-N -1 3 386.912 3.685 20 0 GHADHM Cc1cc([C@@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)no1 ZINC000737248019 599267055 /nfs/dbraw/zinc/26/70/55/599267055.db2.gz CWEBCTQXYJLQBJ-KRWDZBQOSA-N -1 3 375.436 3.670 20 0 GHADHM Cc1cc([C@@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)no1 ZINC000737248019 599267060 /nfs/dbraw/zinc/26/70/60/599267060.db2.gz CWEBCTQXYJLQBJ-KRWDZBQOSA-N -1 3 375.436 3.670 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000823299088 599277559 /nfs/dbraw/zinc/27/75/59/599277559.db2.gz HBPOZBBFFBPLPA-GMXVVIOVSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000823299088 599277562 /nfs/dbraw/zinc/27/75/62/599277562.db2.gz HBPOZBBFFBPLPA-GMXVVIOVSA-N -1 3 392.410 3.558 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000822299249 599279710 /nfs/dbraw/zinc/27/97/10/599279710.db2.gz CGUABVNTBIPRHE-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000822299249 599279712 /nfs/dbraw/zinc/27/97/12/599279712.db2.gz CGUABVNTBIPRHE-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cccc(C(=O)N2CCCCC2)c1 ZINC000737221149 599282702 /nfs/dbraw/zinc/28/27/02/599282702.db2.gz GCESJSRPKBUTAM-UHFFFAOYSA-N -1 3 391.475 3.689 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000737386302 599283466 /nfs/dbraw/zinc/28/34/66/599283466.db2.gz BOQQNKWJQMCORJ-UHFFFAOYSA-N -1 3 379.464 3.933 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380429 599284174 /nfs/dbraw/zinc/28/41/74/599284174.db2.gz SMXMQHXLVBSBOQ-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380429 599284175 /nfs/dbraw/zinc/28/41/75/599284175.db2.gz SMXMQHXLVBSBOQ-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM Cc1ccc(-c2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2C)cc1 ZINC000737287004 599285624 /nfs/dbraw/zinc/28/56/24/599285624.db2.gz AYJJGTDJJOJZTI-ZDUSSCGKSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1ccc(-c2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2C)cc1 ZINC000737287004 599285629 /nfs/dbraw/zinc/28/56/29/599285629.db2.gz AYJJGTDJJOJZTI-ZDUSSCGKSA-N -1 3 377.477 3.824 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820921090 599286459 /nfs/dbraw/zinc/28/64/59/599286459.db2.gz VNVGQFUKXAZYAU-CQSZACIVSA-N -1 3 391.357 3.553 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1 ZINC000820921090 599286460 /nfs/dbraw/zinc/28/64/60/599286460.db2.gz VNVGQFUKXAZYAU-CQSZACIVSA-N -1 3 391.357 3.553 20 0 GHADHM Cc1sc2nc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n(C)c(=O)c2c1C ZINC000737564978 599286876 /nfs/dbraw/zinc/28/68/76/599286876.db2.gz UUVQAPSALWPVPK-NSHDSACASA-N -1 3 398.517 3.645 20 0 GHADHM Cc1sc2nc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n(C)c(=O)c2c1C ZINC000737564978 599286878 /nfs/dbraw/zinc/28/68/78/599286878.db2.gz UUVQAPSALWPVPK-NSHDSACASA-N -1 3 398.517 3.645 20 0 GHADHM COC(=O)[C@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641978 607346220 /nfs/dbraw/zinc/34/62/20/607346220.db2.gz BNBCPVUARKLIQS-QZTJIDSGSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641978 607346222 /nfs/dbraw/zinc/34/62/22/607346222.db2.gz BNBCPVUARKLIQS-QZTJIDSGSA-N -1 3 399.882 3.721 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c(C)n1 ZINC000737314385 598232286 /nfs/dbraw/zinc/23/22/86/598232286.db2.gz CLQBMGIMYMPMJM-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C)n1 ZINC000737314385 598232289 /nfs/dbraw/zinc/23/22/89/598232289.db2.gz CLQBMGIMYMPMJM-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000737077272 598235515 /nfs/dbraw/zinc/23/55/15/598235515.db2.gz VLMUYIJWOYUUAQ-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM C[C@@H](c1ccccc1Cl)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736204061 598236682 /nfs/dbraw/zinc/23/66/82/598236682.db2.gz PPNQTIQFOCOFLZ-ZDUSSCGKSA-N -1 3 386.862 3.542 20 0 GHADHM CC(C)c1ccsc1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735931785 598237335 /nfs/dbraw/zinc/23/73/35/598237335.db2.gz DWSZQXFWASFWEG-UHFFFAOYSA-N -1 3 397.504 3.735 20 0 GHADHM CC(C)c1ccsc1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735931785 598237337 /nfs/dbraw/zinc/23/73/37/598237337.db2.gz DWSZQXFWASFWEG-UHFFFAOYSA-N -1 3 397.504 3.735 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOc2ccc(Br)cc21 ZINC000737640158 598240513 /nfs/dbraw/zinc/24/05/13/598240513.db2.gz LOLMOFITGPDYQG-CYBMUJFWSA-N -1 3 390.216 3.704 20 0 GHADHM O=C([C@H]1CCCc2sccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917256 607348206 /nfs/dbraw/zinc/34/82/06/607348206.db2.gz REXVMOXHEDLVLN-KRWDZBQOSA-N -1 3 379.489 3.539 20 0 GHADHM O=C([C@H]1CCCc2sccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917256 607348208 /nfs/dbraw/zinc/34/82/08/607348208.db2.gz REXVMOXHEDLVLN-KRWDZBQOSA-N -1 3 379.489 3.539 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735639754 598253463 /nfs/dbraw/zinc/25/34/63/598253463.db2.gz NZDGUGQOMWBVAF-UHFFFAOYSA-N -1 3 395.423 3.858 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735639754 598253464 /nfs/dbraw/zinc/25/34/64/598253464.db2.gz NZDGUGQOMWBVAF-UHFFFAOYSA-N -1 3 395.423 3.858 20 0 GHADHM C[C@@H](NC(=O)CCCCCc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100349 598256725 /nfs/dbraw/zinc/25/67/25/598256725.db2.gz KBKINSBINMUJLC-OAHLLOKOSA-N -1 3 379.464 3.553 20 0 GHADHM C[C@@H](NC(=O)CCCCCc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100349 598256726 /nfs/dbraw/zinc/25/67/26/598256726.db2.gz KBKINSBINMUJLC-OAHLLOKOSA-N -1 3 379.464 3.553 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000738167241 598267889 /nfs/dbraw/zinc/26/78/89/598267889.db2.gz QDYMYSZPNCTKQH-QGZVFWFLSA-N -1 3 378.367 3.510 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000738167241 598267891 /nfs/dbraw/zinc/26/78/91/598267891.db2.gz QDYMYSZPNCTKQH-QGZVFWFLSA-N -1 3 378.367 3.510 20 0 GHADHM CC(C)Cc1noc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735850285 598282520 /nfs/dbraw/zinc/28/25/20/598282520.db2.gz AOFHAFZDIJSYQM-UHFFFAOYSA-N -1 3 391.435 3.853 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736653948 598283965 /nfs/dbraw/zinc/28/39/65/598283965.db2.gz NTGMVUYVHIEEBO-KSSFIOAISA-N -1 3 394.479 3.777 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736653948 598283966 /nfs/dbraw/zinc/28/39/66/598283966.db2.gz NTGMVUYVHIEEBO-KSSFIOAISA-N -1 3 394.479 3.777 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737287506 598297348 /nfs/dbraw/zinc/29/73/48/598297348.db2.gz IDHDWQZMCAOFMW-CMDGGOBGSA-N -1 3 382.427 3.889 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737287506 598297350 /nfs/dbraw/zinc/29/73/50/598297350.db2.gz IDHDWQZMCAOFMW-CMDGGOBGSA-N -1 3 382.427 3.889 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccsc1)c1cccnc1 ZINC000737798557 598308824 /nfs/dbraw/zinc/30/88/24/598308824.db2.gz MBBILWKZSGPRMI-FPLPWBNLSA-N -1 3 388.456 3.570 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccsc1)c1cccnc1 ZINC000737798557 598308826 /nfs/dbraw/zinc/30/88/26/598308826.db2.gz MBBILWKZSGPRMI-FPLPWBNLSA-N -1 3 388.456 3.570 20 0 GHADHM CSc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737191633 598322586 /nfs/dbraw/zinc/32/25/86/598322586.db2.gz SQKGDXIVWFCHPX-UHFFFAOYSA-N -1 3 390.925 3.729 20 0 GHADHM CSc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737191633 598322587 /nfs/dbraw/zinc/32/25/87/598322587.db2.gz SQKGDXIVWFCHPX-UHFFFAOYSA-N -1 3 390.925 3.729 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737377162 598322635 /nfs/dbraw/zinc/32/26/35/598322635.db2.gz LDLVWWFYABOGBU-INIZCTEOSA-N -1 3 384.896 3.802 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737377162 598322637 /nfs/dbraw/zinc/32/26/37/598322637.db2.gz LDLVWWFYABOGBU-INIZCTEOSA-N -1 3 384.896 3.802 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000738151169 598323433 /nfs/dbraw/zinc/32/34/33/598323433.db2.gz GSQMAKXMHCHSGB-KRWDZBQOSA-N -1 3 398.854 3.516 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000738151169 598323435 /nfs/dbraw/zinc/32/34/35/598323435.db2.gz GSQMAKXMHCHSGB-KRWDZBQOSA-N -1 3 398.854 3.516 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735848932 598323498 /nfs/dbraw/zinc/32/34/98/598323498.db2.gz COAYZNFTIYPEEB-AWEZNQCLSA-N -1 3 396.470 3.765 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735848932 598323500 /nfs/dbraw/zinc/32/35/00/598323500.db2.gz COAYZNFTIYPEEB-AWEZNQCLSA-N -1 3 396.470 3.765 20 0 GHADHM Cc1c(Cl)cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737215914 598323980 /nfs/dbraw/zinc/32/39/80/598323980.db2.gz OIIRMAGTIXTYPA-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM Cc1c(Cl)cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737215914 598323982 /nfs/dbraw/zinc/32/39/82/598323982.db2.gz OIIRMAGTIXTYPA-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000735582204 598325327 /nfs/dbraw/zinc/32/53/27/598325327.db2.gz ILAJHVAIGNUZQJ-UHFFFAOYSA-N -1 3 387.237 3.512 20 0 GHADHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000735582204 598325328 /nfs/dbraw/zinc/32/53/28/598325328.db2.gz ILAJHVAIGNUZQJ-UHFFFAOYSA-N -1 3 387.237 3.512 20 0 GHADHM CC(C)CN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827037 598326794 /nfs/dbraw/zinc/32/67/94/598326794.db2.gz BFTMLZHMEUJFRT-UHFFFAOYSA-N -1 3 384.509 3.924 20 0 GHADHM CC(C)CN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827037 598326795 /nfs/dbraw/zinc/32/67/95/598326795.db2.gz BFTMLZHMEUJFRT-UHFFFAOYSA-N -1 3 384.509 3.924 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000737246980 598354841 /nfs/dbraw/zinc/35/48/41/598354841.db2.gz WTHHZLYWVASMSX-UONOGXRCSA-N -1 3 385.269 3.609 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000737246980 598354843 /nfs/dbraw/zinc/35/48/43/598354843.db2.gz WTHHZLYWVASMSX-UONOGXRCSA-N -1 3 385.269 3.609 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737428795 598359153 /nfs/dbraw/zinc/35/91/53/598359153.db2.gz WLDOHXVRJBEUEQ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737428795 598359154 /nfs/dbraw/zinc/35/91/54/598359154.db2.gz WLDOHXVRJBEUEQ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM CC(C)CN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818223 598364637 /nfs/dbraw/zinc/36/46/37/598364637.db2.gz KAOQZVHGXPRCNN-UHFFFAOYSA-N -1 3 398.536 3.852 20 0 GHADHM CC(C)CN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818223 598364639 /nfs/dbraw/zinc/36/46/39/598364639.db2.gz KAOQZVHGXPRCNN-UHFFFAOYSA-N -1 3 398.536 3.852 20 0 GHADHM Cc1cccc(C2(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737389188 598365538 /nfs/dbraw/zinc/36/55/38/598365538.db2.gz JWKZFEXZNVKUGH-UHFFFAOYSA-N -1 3 375.476 3.646 20 0 GHADHM Cc1cccc(C2(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737389188 598365539 /nfs/dbraw/zinc/36/55/39/598365539.db2.gz JWKZFEXZNVKUGH-UHFFFAOYSA-N -1 3 375.476 3.646 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735642498 598365866 /nfs/dbraw/zinc/36/58/66/598365866.db2.gz BSKPDGRHFFDJSY-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000737381545 598369563 /nfs/dbraw/zinc/36/95/63/598369563.db2.gz ZFQAUVUOFQKESV-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000737381545 598369565 /nfs/dbraw/zinc/36/95/65/598369565.db2.gz ZFQAUVUOFQKESV-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM COC(=O)c1sc2ccccc2c1CN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736957063 598369748 /nfs/dbraw/zinc/36/97/48/598369748.db2.gz NKARQXJUJBARLN-UHFFFAOYSA-N -1 3 393.472 3.500 20 0 GHADHM CCOc1ccc(OCC)c(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000736651032 598378295 /nfs/dbraw/zinc/37/82/95/598378295.db2.gz LCXGSRMCMHHNMB-UHFFFAOYSA-N -1 3 398.492 3.781 20 0 GHADHM CCOc1ccc(OCC)c(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000736651032 598378297 /nfs/dbraw/zinc/37/82/97/598378297.db2.gz LCXGSRMCMHHNMB-UHFFFAOYSA-N -1 3 398.492 3.781 20 0 GHADHM Cn1ccc2c1cccc2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737611918 598378858 /nfs/dbraw/zinc/37/88/58/598378858.db2.gz DZOHIGZAQKVBPN-UHFFFAOYSA-N -1 3 383.868 3.821 20 0 GHADHM Cn1ccc2c1cccc2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737611918 598378859 /nfs/dbraw/zinc/37/88/59/598378859.db2.gz DZOHIGZAQKVBPN-UHFFFAOYSA-N -1 3 383.868 3.821 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737419637 598397807 /nfs/dbraw/zinc/39/78/07/598397807.db2.gz ABNDEBMFPSDVHW-UHFFFAOYSA-N -1 3 393.516 3.673 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737419637 598397809 /nfs/dbraw/zinc/39/78/09/598397809.db2.gz ABNDEBMFPSDVHW-UHFFFAOYSA-N -1 3 393.516 3.673 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1Cc2ccccc2C(F)(F)C1 ZINC000823319696 607356167 /nfs/dbraw/zinc/35/61/67/607356167.db2.gz XLRUWAPPDRAFKK-UHFFFAOYSA-N -1 3 390.781 3.660 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1Cc2ccccc2C(F)(F)C1 ZINC000823319696 607356169 /nfs/dbraw/zinc/35/61/69/607356169.db2.gz XLRUWAPPDRAFKK-UHFFFAOYSA-N -1 3 390.781 3.660 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736189789 598414322 /nfs/dbraw/zinc/41/43/22/598414322.db2.gz CLPPUFIWHWHVAX-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736189789 598414324 /nfs/dbraw/zinc/41/43/24/598414324.db2.gz CLPPUFIWHWHVAX-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000736190667 598415094 /nfs/dbraw/zinc/41/50/94/598415094.db2.gz GMIDMSAXJWZJKK-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000736190667 598415096 /nfs/dbraw/zinc/41/50/96/598415096.db2.gz GMIDMSAXJWZJKK-GFCCVEGCSA-N -1 3 376.445 3.534 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736686744 598416598 /nfs/dbraw/zinc/41/65/98/598416598.db2.gz QQCSFKVAUSQHHX-UONOGXRCSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736686744 598416600 /nfs/dbraw/zinc/41/66/00/598416600.db2.gz QQCSFKVAUSQHHX-UONOGXRCSA-N -1 3 381.505 3.787 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099602 598416797 /nfs/dbraw/zinc/41/67/97/598416797.db2.gz JOYCJFPYHHWNNO-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099602 598416798 /nfs/dbraw/zinc/41/67/98/598416798.db2.gz JOYCJFPYHHWNNO-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736189235 598416830 /nfs/dbraw/zinc/41/68/30/598416830.db2.gz BMTPCHYRKUHCGW-IUODEOHRSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736189235 598416831 /nfs/dbraw/zinc/41/68/31/598416831.db2.gz BMTPCHYRKUHCGW-IUODEOHRSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736193959 598416895 /nfs/dbraw/zinc/41/68/95/598416895.db2.gz VPHPVBLGTRCPLD-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736193959 598416897 /nfs/dbraw/zinc/41/68/97/598416897.db2.gz VPHPVBLGTRCPLD-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sccc1SC(F)F ZINC000736628960 598420699 /nfs/dbraw/zinc/42/06/99/598420699.db2.gz ZOIFAMSXZLBSKQ-UHFFFAOYSA-N -1 3 398.416 3.861 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sccc1SC(F)F ZINC000736628960 598420701 /nfs/dbraw/zinc/42/07/01/598420701.db2.gz ZOIFAMSXZLBSKQ-UHFFFAOYSA-N -1 3 398.416 3.861 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000735875682 598427754 /nfs/dbraw/zinc/42/77/54/598427754.db2.gz ZNGVAJOEFITZJY-FQEVSTJZSA-N -1 3 390.491 3.864 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000735875682 598427755 /nfs/dbraw/zinc/42/77/55/598427755.db2.gz ZNGVAJOEFITZJY-FQEVSTJZSA-N -1 3 390.491 3.864 20 0 GHADHM CCCCN(C)c1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736454428 598428679 /nfs/dbraw/zinc/42/86/79/598428679.db2.gz YUEMTTBCUHRWRE-OAHLLOKOSA-N -1 3 393.495 3.542 20 0 GHADHM O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738144227 598439071 /nfs/dbraw/zinc/43/90/71/598439071.db2.gz KIEHDOORZLRYRQ-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738144227 598439074 /nfs/dbraw/zinc/43/90/74/598439074.db2.gz KIEHDOORZLRYRQ-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C(N[C@H](CCCc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737994404 598440066 /nfs/dbraw/zinc/44/00/66/598440066.db2.gz AKECFIULGLYNAM-HXUWFJFHSA-N -1 3 398.470 3.756 20 0 GHADHM O=C(N[C@H](CCCc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737994404 598440068 /nfs/dbraw/zinc/44/00/68/598440068.db2.gz AKECFIULGLYNAM-HXUWFJFHSA-N -1 3 398.470 3.756 20 0 GHADHM Cc1cccc(C2(NC(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737391097 598447883 /nfs/dbraw/zinc/44/78/83/598447883.db2.gz XVMCFAWESAWTPB-INIZCTEOSA-N -1 3 391.475 3.528 20 0 GHADHM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736431318 598449519 /nfs/dbraw/zinc/44/95/19/598449519.db2.gz OSUFNJLDPDPCDD-CQSZACIVSA-N -1 3 391.262 3.840 20 0 GHADHM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000736431318 598449521 /nfs/dbraw/zinc/44/95/21/598449521.db2.gz OSUFNJLDPDPCDD-CQSZACIVSA-N -1 3 391.262 3.840 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Oc1ccccc1 ZINC000736117161 598450484 /nfs/dbraw/zinc/45/04/84/598450484.db2.gz DRKUUGJYRCFADJ-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Oc1ccccc1 ZINC000736117161 598450486 /nfs/dbraw/zinc/45/04/86/598450486.db2.gz DRKUUGJYRCFADJ-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1)O[C@H](C)C2 ZINC000736637680 598467385 /nfs/dbraw/zinc/46/73/85/598467385.db2.gz YGFQMEXXRGNSLZ-BTJLNZGRSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736637680 598467386 /nfs/dbraw/zinc/46/73/86/598467386.db2.gz YGFQMEXXRGNSLZ-BTJLNZGRSA-N -1 3 395.438 3.696 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737463934 598468095 /nfs/dbraw/zinc/46/80/95/598468095.db2.gz ARAMGBJEAMDIET-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737463934 598468097 /nfs/dbraw/zinc/46/80/97/598468097.db2.gz ARAMGBJEAMDIET-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM CC(C)[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000735720182 598477668 /nfs/dbraw/zinc/47/76/68/598477668.db2.gz IQGOAPTZLGJJCE-HXUWFJFHSA-N -1 3 390.491 3.938 20 0 GHADHM CC(C)[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000735720182 598477670 /nfs/dbraw/zinc/47/76/70/598477670.db2.gz IQGOAPTZLGJJCE-HXUWFJFHSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cc(F)ccc1F ZINC000736113186 598477786 /nfs/dbraw/zinc/47/77/86/598477786.db2.gz XXABOHDQZBDCAD-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cc(F)ccc1F ZINC000736113186 598477788 /nfs/dbraw/zinc/47/77/88/598477788.db2.gz XXABOHDQZBDCAD-LBPRGKRZSA-N -1 3 398.417 3.580 20 0 GHADHM CC[C@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000736348877 598478036 /nfs/dbraw/zinc/47/80/36/598478036.db2.gz CQMKNMRNLBJGOP-QGZVFWFLSA-N -1 3 390.491 3.735 20 0 GHADHM CC[C@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000736348877 598478037 /nfs/dbraw/zinc/47/80/37/598478037.db2.gz CQMKNMRNLBJGOP-QGZVFWFLSA-N -1 3 390.491 3.735 20 0 GHADHM CC(C)c1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C(C)C)c1 ZINC000735923939 598479098 /nfs/dbraw/zinc/47/90/98/598479098.db2.gz ZIGKGNPJHOCXHW-UHFFFAOYSA-N -1 3 393.447 3.548 20 0 GHADHM CC(C)c1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C(C)C)c1 ZINC000735923939 598479099 /nfs/dbraw/zinc/47/90/99/598479099.db2.gz ZIGKGNPJHOCXHW-UHFFFAOYSA-N -1 3 393.447 3.548 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2c(n1)onc2C(C)C ZINC000737237624 598481655 /nfs/dbraw/zinc/48/16/55/598481655.db2.gz BEVYLAMJILDZSP-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2c(n1)onc2C(C)C ZINC000737237624 598481656 /nfs/dbraw/zinc/48/16/56/598481656.db2.gz BEVYLAMJILDZSP-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000737288225 598485239 /nfs/dbraw/zinc/48/52/39/598485239.db2.gz MDHZCFZCIZIDIK-NSHDSACASA-N -1 3 381.417 3.810 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000737288225 598485241 /nfs/dbraw/zinc/48/52/41/598485241.db2.gz MDHZCFZCIZIDIK-NSHDSACASA-N -1 3 381.417 3.810 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736463184 598488028 /nfs/dbraw/zinc/48/80/28/598488028.db2.gz MBTZJGKZUNBVGD-UHFFFAOYSA-N -1 3 382.468 3.854 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736463184 598488029 /nfs/dbraw/zinc/48/80/29/598488029.db2.gz MBTZJGKZUNBVGD-UHFFFAOYSA-N -1 3 382.468 3.854 20 0 GHADHM COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737055151 598489816 /nfs/dbraw/zinc/48/98/16/598489816.db2.gz JEGNXXPVFSKOHT-UHFFFAOYSA-N -1 3 390.447 3.837 20 0 GHADHM COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737055151 598489817 /nfs/dbraw/zinc/48/98/17/598489817.db2.gz JEGNXXPVFSKOHT-UHFFFAOYSA-N -1 3 390.447 3.837 20 0 GHADHM CC1CCC(OC2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)CC1 ZINC000736245657 598501674 /nfs/dbraw/zinc/50/16/74/598501674.db2.gz UHWSRYVFLQHDKS-UHFFFAOYSA-N -1 3 377.439 3.709 20 0 GHADHM CC1CCC(OC2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC000736245657 598501676 /nfs/dbraw/zinc/50/16/76/598501676.db2.gz UHWSRYVFLQHDKS-UHFFFAOYSA-N -1 3 377.439 3.709 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)c(Cl)nc1Cl ZINC000738152484 598505663 /nfs/dbraw/zinc/50/56/63/598505663.db2.gz VRGTWTQRCYCFIT-UHFFFAOYSA-N -1 3 387.589 3.613 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c(Cl)nc1Cl ZINC000738152484 598505665 /nfs/dbraw/zinc/50/56/65/598505665.db2.gz VRGTWTQRCYCFIT-UHFFFAOYSA-N -1 3 387.589 3.613 20 0 GHADHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738183240 598511616 /nfs/dbraw/zinc/51/16/16/598511616.db2.gz KDXGGFJIUOZFFF-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738183240 598511618 /nfs/dbraw/zinc/51/16/18/598511618.db2.gz KDXGGFJIUOZFFF-OAQYLSRUSA-N -1 3 399.454 3.785 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1 ZINC000736472831 598515359 /nfs/dbraw/zinc/51/53/59/598515359.db2.gz UDRUWRDZZAAZLR-UHFFFAOYSA-N -1 3 384.509 3.898 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1 ZINC000736472831 598515360 /nfs/dbraw/zinc/51/53/60/598515360.db2.gz UDRUWRDZZAAZLR-UHFFFAOYSA-N -1 3 384.509 3.898 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccccc2OC(C)C)c1-c1nnn[n-]1 ZINC000736675137 598515524 /nfs/dbraw/zinc/51/55/24/598515524.db2.gz FLOLBUYUGIKGKM-UHFFFAOYSA-N -1 3 385.493 3.767 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccccc2OC(C)C)c1-c1nn[n-]n1 ZINC000736675137 598515525 /nfs/dbraw/zinc/51/55/25/598515525.db2.gz FLOLBUYUGIKGKM-UHFFFAOYSA-N -1 3 385.493 3.767 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c1-c1nnn[n-]1 ZINC000736677059 598516494 /nfs/dbraw/zinc/51/64/94/598516494.db2.gz YUUONDNFVFRYCC-UHFFFAOYSA-N -1 3 384.440 3.601 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c1-c1nn[n-]n1 ZINC000736677059 598516496 /nfs/dbraw/zinc/51/64/96/598516496.db2.gz YUUONDNFVFRYCC-UHFFFAOYSA-N -1 3 384.440 3.601 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736425946 598517938 /nfs/dbraw/zinc/51/79/38/598517938.db2.gz LJJONXTZLZYFJT-IBGZPJMESA-N -1 3 395.532 3.628 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736425946 598517939 /nfs/dbraw/zinc/51/79/39/598517939.db2.gz LJJONXTZLZYFJT-IBGZPJMESA-N -1 3 395.532 3.628 20 0 GHADHM Cc1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2)o1 ZINC000737338239 598534792 /nfs/dbraw/zinc/53/47/92/598534792.db2.gz YMOSIKSYTIYARF-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2)o1 ZINC000737338239 598534794 /nfs/dbraw/zinc/53/47/94/598534794.db2.gz YMOSIKSYTIYARF-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738144840 598539637 /nfs/dbraw/zinc/53/96/37/598539637.db2.gz NWPHZTBBDUIRMH-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736401482 598539995 /nfs/dbraw/zinc/53/99/95/598539995.db2.gz XTNLBMQOMKJDQZ-KBXCAEBGSA-N -1 3 395.463 3.737 20 0 GHADHM CCCSCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736497690 598541527 /nfs/dbraw/zinc/54/15/27/598541527.db2.gz KPPQKTVSYYODDY-UHFFFAOYSA-N -1 3 397.504 3.836 20 0 GHADHM CCCSCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736497690 598541529 /nfs/dbraw/zinc/54/15/29/598541529.db2.gz KPPQKTVSYYODDY-UHFFFAOYSA-N -1 3 397.504 3.836 20 0 GHADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCCC1 ZINC000736203347 598543621 /nfs/dbraw/zinc/54/36/21/598543621.db2.gz MYJXLJIWSPNEMN-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCCC1 ZINC000736203347 598543622 /nfs/dbraw/zinc/54/36/22/598543622.db2.gz MYJXLJIWSPNEMN-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(C=Cc1ccco1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737808474 598544015 /nfs/dbraw/zinc/54/40/15/598544015.db2.gz UGNMFCACMWCPPC-KHPPLWFESA-N -1 3 387.399 3.691 20 0 GHADHM O=C(C=Cc1ccco1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737808474 598544016 /nfs/dbraw/zinc/54/40/16/598544016.db2.gz UGNMFCACMWCPPC-KHPPLWFESA-N -1 3 387.399 3.691 20 0 GHADHM Cc1ncsc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737499032 598554275 /nfs/dbraw/zinc/55/42/75/598554275.db2.gz IXHJMSPCSUVCOP-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncsc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737499032 598554276 /nfs/dbraw/zinc/55/42/76/598554276.db2.gz IXHJMSPCSUVCOP-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ccc(F)c2c1N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737344419 598554308 /nfs/dbraw/zinc/55/43/08/598554308.db2.gz FPTLPVCFABXNBY-UHFFFAOYSA-N -1 3 397.479 3.527 20 0 GHADHM Cc1ccc(F)c2c1N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737344419 598554309 /nfs/dbraw/zinc/55/43/09/598554309.db2.gz FPTLPVCFABXNBY-UHFFFAOYSA-N -1 3 397.479 3.527 20 0 GHADHM O=C(COc1ccccc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737925675 598555558 /nfs/dbraw/zinc/55/55/58/598555558.db2.gz WYIAOLKTZZRMAJ-UHFFFAOYSA-N -1 3 387.399 3.677 20 0 GHADHM O=C(COc1ccccc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737925675 598555559 /nfs/dbraw/zinc/55/55/59/598555559.db2.gz WYIAOLKTZZRMAJ-UHFFFAOYSA-N -1 3 387.399 3.677 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117600 598558616 /nfs/dbraw/zinc/55/86/16/598558616.db2.gz QLXBZQRLKZIJNQ-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117600 598558617 /nfs/dbraw/zinc/55/86/17/598558617.db2.gz QLXBZQRLKZIJNQ-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1F ZINC000737023775 598563678 /nfs/dbraw/zinc/56/36/78/598563678.db2.gz DDRSFODNHZJTGO-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(Cl)cc1F ZINC000737023775 598563679 /nfs/dbraw/zinc/56/36/79/598563679.db2.gz DDRSFODNHZJTGO-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737446235 598565852 /nfs/dbraw/zinc/56/58/52/598565852.db2.gz OODDIBWEBXDYDP-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737446235 598565853 /nfs/dbraw/zinc/56/58/53/598565853.db2.gz OODDIBWEBXDYDP-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735874608 598567831 /nfs/dbraw/zinc/56/78/31/598567831.db2.gz KFUBXDVPXUHPIH-DLBZAZTESA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735874608 598567834 /nfs/dbraw/zinc/56/78/34/598567834.db2.gz KFUBXDVPXUHPIH-DLBZAZTESA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735904131 598569210 /nfs/dbraw/zinc/56/92/10/598569210.db2.gz LOMFZWZSKJUQOW-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735904131 598569212 /nfs/dbraw/zinc/56/92/12/598569212.db2.gz LOMFZWZSKJUQOW-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM O[C@H](c1ccc(Cl)cc1)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738386436 598581113 /nfs/dbraw/zinc/58/11/13/598581113.db2.gz KYIHUQPQTUYPHY-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@H](c1ccc(Cl)cc1)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738386436 598581115 /nfs/dbraw/zinc/58/11/15/598581115.db2.gz KYIHUQPQTUYPHY-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736172669 598584198 /nfs/dbraw/zinc/58/41/98/598584198.db2.gz BPRUWFLWSLFUGX-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736172669 598584199 /nfs/dbraw/zinc/58/41/99/598584199.db2.gz BPRUWFLWSLFUGX-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000738167304 598591758 /nfs/dbraw/zinc/59/17/58/598591758.db2.gz RCKRPVJOLYOIPZ-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000738167304 598591760 /nfs/dbraw/zinc/59/17/60/598591760.db2.gz RCKRPVJOLYOIPZ-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM c1cncc(COc2cccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)c2)c1 ZINC000738449794 598611622 /nfs/dbraw/zinc/61/16/22/598611622.db2.gz WBIXSGDGOJJFLI-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cncc(COc2cccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)c2)c1 ZINC000738449794 598611624 /nfs/dbraw/zinc/61/16/24/598611624.db2.gz WBIXSGDGOJJFLI-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM C[C@@H](OC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736155006 598618629 /nfs/dbraw/zinc/61/86/29/598618629.db2.gz FLBAPQZNKNGCMS-LLVKDONJSA-N -1 3 391.353 3.602 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735830064 598627521 /nfs/dbraw/zinc/62/75/21/598627521.db2.gz BXQVUBSKNIVFGX-UHFFFAOYSA-N -1 3 386.406 3.835 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735830064 598627523 /nfs/dbraw/zinc/62/75/23/598627523.db2.gz BXQVUBSKNIVFGX-UHFFFAOYSA-N -1 3 386.406 3.835 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736820541 598634330 /nfs/dbraw/zinc/63/43/30/598634330.db2.gz OWGFEINCZNDBON-UHFFFAOYSA-N -1 3 376.395 3.823 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736820541 598634332 /nfs/dbraw/zinc/63/43/32/598634332.db2.gz OWGFEINCZNDBON-UHFFFAOYSA-N -1 3 376.395 3.823 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737803883 598642263 /nfs/dbraw/zinc/64/22/63/598642263.db2.gz WIHLZRBFWKFEEH-BIGNBACZSA-N -1 3 383.411 3.608 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737803883 598642265 /nfs/dbraw/zinc/64/22/65/598642265.db2.gz WIHLZRBFWKFEEH-BIGNBACZSA-N -1 3 383.411 3.608 20 0 GHADHM Fc1ccc(CSc2ncnc3sc4c(c32)CCC4)c(-c2nnn[n-]2)c1 ZINC000737647255 598643062 /nfs/dbraw/zinc/64/30/62/598643062.db2.gz AOLKFBPATITUFY-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM Fc1ccc(CSc2ncnc3sc4c(c32)CCC4)c(-c2nn[n-]n2)c1 ZINC000737647255 598643064 /nfs/dbraw/zinc/64/30/64/598643064.db2.gz AOLKFBPATITUFY-UHFFFAOYSA-N -1 3 384.465 3.792 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737143323 598647356 /nfs/dbraw/zinc/64/73/56/598647356.db2.gz UGNHWJVKLWAINV-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737143323 598647359 /nfs/dbraw/zinc/64/73/59/598647359.db2.gz UGNHWJVKLWAINV-LBPRGKRZSA-N -1 3 397.504 3.948 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735963177 598649857 /nfs/dbraw/zinc/64/98/57/598649857.db2.gz BFXBPKSBWBFTBD-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735963177 598649858 /nfs/dbraw/zinc/64/98/58/598649858.db2.gz BFXBPKSBWBFTBD-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000736277250 598650376 /nfs/dbraw/zinc/65/03/76/598650376.db2.gz LVHZSDMNWUTLDG-CYBMUJFWSA-N -1 3 397.529 3.876 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000736277250 598650378 /nfs/dbraw/zinc/65/03/78/598650378.db2.gz LVHZSDMNWUTLDG-CYBMUJFWSA-N -1 3 397.529 3.876 20 0 GHADHM CCc1cccc2c1N(C(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736695237 598656228 /nfs/dbraw/zinc/65/62/28/598656228.db2.gz IRGQFJYZHKYJEW-UHFFFAOYSA-N -1 3 391.475 3.568 20 0 GHADHM CCc1cccc2c1N(C(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736695237 598656229 /nfs/dbraw/zinc/65/62/29/598656229.db2.gz IRGQFJYZHKYJEW-UHFFFAOYSA-N -1 3 391.475 3.568 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000736140347 598664292 /nfs/dbraw/zinc/66/42/92/598664292.db2.gz UHWYYTBDNYTCKF-NSHDSACASA-N -1 3 384.827 3.650 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000736140347 598664294 /nfs/dbraw/zinc/66/42/94/598664294.db2.gz UHWYYTBDNYTCKF-NSHDSACASA-N -1 3 384.827 3.650 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322120 598666990 /nfs/dbraw/zinc/66/69/90/598666990.db2.gz ICIGJVJIQIZDSL-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736322120 598666992 /nfs/dbraw/zinc/66/69/92/598666992.db2.gz ICIGJVJIQIZDSL-HNNXBMFYSA-N -1 3 379.464 3.564 20 0 GHADHM CCCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736469318 598668045 /nfs/dbraw/zinc/66/80/45/598668045.db2.gz NJZHMRHRVCPYPP-CYBMUJFWSA-N -1 3 385.855 3.731 20 0 GHADHM O[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1Cl ZINC000738380130 598679142 /nfs/dbraw/zinc/67/91/42/598679142.db2.gz AFEMCTBLOVTXIR-ZDUSSCGKSA-N -1 3 386.189 3.597 20 0 GHADHM O[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000738380130 598679144 /nfs/dbraw/zinc/67/91/44/598679144.db2.gz AFEMCTBLOVTXIR-ZDUSSCGKSA-N -1 3 386.189 3.597 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737355963 598696774 /nfs/dbraw/zinc/69/67/74/598696774.db2.gz NGYANXVLTUPKNI-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737355963 598696775 /nfs/dbraw/zinc/69/67/75/598696775.db2.gz NGYANXVLTUPKNI-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000736192962 598697938 /nfs/dbraw/zinc/69/79/38/598697938.db2.gz OKZPDFRBSQUSAN-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000736192962 598697940 /nfs/dbraw/zinc/69/79/40/598697940.db2.gz OKZPDFRBSQUSAN-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735857236 598699482 /nfs/dbraw/zinc/69/94/82/598699482.db2.gz PWERDOUNJPXEMU-UHFFFAOYSA-N -1 3 384.871 3.613 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735857236 598699484 /nfs/dbraw/zinc/69/94/84/598699484.db2.gz PWERDOUNJPXEMU-UHFFFAOYSA-N -1 3 384.871 3.613 20 0 GHADHM CC(C)c1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000735922180 598699790 /nfs/dbraw/zinc/69/97/90/598699790.db2.gz HQVSMIJVFXQRMW-UHFFFAOYSA-N -1 3 389.419 3.758 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000738261162 598722648 /nfs/dbraw/zinc/72/26/48/598722648.db2.gz JLHLWLSUEDYBIC-KRWDZBQOSA-N -1 3 393.497 3.778 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000738261162 598722650 /nfs/dbraw/zinc/72/26/50/598722650.db2.gz JLHLWLSUEDYBIC-KRWDZBQOSA-N -1 3 393.497 3.778 20 0 GHADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736148709 598725895 /nfs/dbraw/zinc/72/58/95/598725895.db2.gz HUAYGVPWYGAKLX-CQSZACIVSA-N -1 3 384.411 3.859 20 0 GHADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736148709 598725897 /nfs/dbraw/zinc/72/58/97/598725897.db2.gz HUAYGVPWYGAKLX-CQSZACIVSA-N -1 3 384.411 3.859 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCc1ccccc1C ZINC000736627708 598734438 /nfs/dbraw/zinc/73/44/38/598734438.db2.gz LVXVNVJAGOTHDR-UHFFFAOYSA-N -1 3 386.839 3.765 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCc1ccccc1C ZINC000736627708 598734439 /nfs/dbraw/zinc/73/44/39/598734439.db2.gz LVXVNVJAGOTHDR-UHFFFAOYSA-N -1 3 386.839 3.765 20 0 GHADHM O=C(C=CC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737799985 598753740 /nfs/dbraw/zinc/75/37/40/598753740.db2.gz YCTXORYTEDXZNO-FPLPWBNLSA-N -1 3 387.509 3.509 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737799985 598753741 /nfs/dbraw/zinc/75/37/41/598753741.db2.gz YCTXORYTEDXZNO-FPLPWBNLSA-N -1 3 387.509 3.509 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737209422 598754876 /nfs/dbraw/zinc/75/48/76/598754876.db2.gz OQZLYMVQTVMPSS-FQEVSTJZSA-N -1 3 389.459 3.977 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737209422 598754878 /nfs/dbraw/zinc/75/48/78/598754878.db2.gz OQZLYMVQTVMPSS-FQEVSTJZSA-N -1 3 389.459 3.977 20 0 GHADHM c1ccc2sc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000738441731 598756472 /nfs/dbraw/zinc/75/64/72/598756472.db2.gz MDRTZAVRLCYDMA-UHFFFAOYSA-N -1 3 378.461 3.524 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000737418333 598759047 /nfs/dbraw/zinc/75/90/47/598759047.db2.gz ABUTUECAOMBJNP-SFHVURJKSA-N -1 3 382.443 3.511 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000737418333 598759049 /nfs/dbraw/zinc/75/90/49/598759049.db2.gz ABUTUECAOMBJNP-SFHVURJKSA-N -1 3 382.443 3.511 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111363 598760374 /nfs/dbraw/zinc/76/03/74/598760374.db2.gz DGOFZVBZNOVNSR-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111363 598760376 /nfs/dbraw/zinc/76/03/76/598760376.db2.gz DGOFZVBZNOVNSR-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737424135 598764746 /nfs/dbraw/zinc/76/47/46/598764746.db2.gz VTFKGEYCVKGDHS-IBGZPJMESA-N -1 3 379.489 3.535 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737424135 598764748 /nfs/dbraw/zinc/76/47/48/598764748.db2.gz VTFKGEYCVKGDHS-IBGZPJMESA-N -1 3 379.489 3.535 20 0 GHADHM CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736602701 598766135 /nfs/dbraw/zinc/76/61/35/598766135.db2.gz KZFRAULMDNKZOJ-UHFFFAOYSA-N -1 3 399.476 3.655 20 0 GHADHM CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736602701 598766136 /nfs/dbraw/zinc/76/61/36/598766136.db2.gz KZFRAULMDNKZOJ-UHFFFAOYSA-N -1 3 399.476 3.655 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000736666713 598781791 /nfs/dbraw/zinc/78/17/91/598781791.db2.gz MSVMXXDEUBEWNM-LBPRGKRZSA-N -1 3 398.492 3.870 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000736666713 598781793 /nfs/dbraw/zinc/78/17/93/598781793.db2.gz MSVMXXDEUBEWNM-LBPRGKRZSA-N -1 3 398.492 3.870 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2)cc1 ZINC000737359011 598785564 /nfs/dbraw/zinc/78/55/64/598785564.db2.gz DDANGWPHDBUNJO-OAHLLOKOSA-N -1 3 399.458 3.996 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2)cc1 ZINC000737359011 598785566 /nfs/dbraw/zinc/78/55/66/598785566.db2.gz DDANGWPHDBUNJO-OAHLLOKOSA-N -1 3 399.458 3.996 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736100502 598789825 /nfs/dbraw/zinc/78/98/25/598789825.db2.gz YYUYTABCEIDWMB-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736100502 598789826 /nfs/dbraw/zinc/78/98/26/598789826.db2.gz YYUYTABCEIDWMB-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM Clc1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000737573447 598792029 /nfs/dbraw/zinc/79/20/29/598792029.db2.gz HXNPOLZECDZAKB-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM Clc1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000737573447 598792031 /nfs/dbraw/zinc/79/20/31/598792031.db2.gz HXNPOLZECDZAKB-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM COc1cc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)ccc1SC ZINC000737045087 598794139 /nfs/dbraw/zinc/79/41/39/598794139.db2.gz FGFAOIPTMMXHSG-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM COc1cc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1SC ZINC000737045087 598794140 /nfs/dbraw/zinc/79/41/40/598794140.db2.gz FGFAOIPTMMXHSG-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM Clc1ccc(NCc2nn(-c3ccccc3)c3c2CCC3)c(-c2nnn[n-]2)c1 ZINC000737575384 598794696 /nfs/dbraw/zinc/79/46/96/598794696.db2.gz SNVUXTOQASUMNE-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM Clc1ccc(NCc2nn(-c3ccccc3)c3c2CCC3)c(-c2nn[n-]n2)c1 ZINC000737575384 598794697 /nfs/dbraw/zinc/79/46/97/598794697.db2.gz SNVUXTOQASUMNE-UHFFFAOYSA-N -1 3 391.866 3.807 20 0 GHADHM Clc1ccc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000737577253 598796354 /nfs/dbraw/zinc/79/63/54/598796354.db2.gz VFYKPMVVZPPFRL-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000737577253 598796356 /nfs/dbraw/zinc/79/63/56/598796356.db2.gz VFYKPMVVZPPFRL-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111327 598799716 /nfs/dbraw/zinc/79/97/16/598799716.db2.gz DBVXDBMMRFVFAB-DJJJIMSYSA-N -1 3 394.454 3.907 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111327 598799718 /nfs/dbraw/zinc/79/97/18/598799718.db2.gz DBVXDBMMRFVFAB-DJJJIMSYSA-N -1 3 394.454 3.907 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)n1 ZINC000735961349 598803619 /nfs/dbraw/zinc/80/36/19/598803619.db2.gz QCEJNUDGVSTFGV-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)n1 ZINC000735961349 598803621 /nfs/dbraw/zinc/80/36/21/598803621.db2.gz QCEJNUDGVSTFGV-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM O=C(NCCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823183430 599300662 /nfs/dbraw/zinc/30/06/62/599300662.db2.gz XDMMZIIKLCBUBH-UHFFFAOYSA-N -1 3 382.399 3.720 20 0 GHADHM O=C(NCCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823183430 599300665 /nfs/dbraw/zinc/30/06/65/599300665.db2.gz XDMMZIIKLCBUBH-UHFFFAOYSA-N -1 3 382.399 3.720 20 0 GHADHM Cc1cnc([C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)s1 ZINC000737446211 599321002 /nfs/dbraw/zinc/32/10/02/599321002.db2.gz NODUWXSKMONHRR-LLVKDONJSA-N -1 3 381.387 3.609 20 0 GHADHM Cc1cnc([C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)s1 ZINC000737446211 599321004 /nfs/dbraw/zinc/32/10/04/599321004.db2.gz NODUWXSKMONHRR-LLVKDONJSA-N -1 3 381.387 3.609 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000736190535 599328414 /nfs/dbraw/zinc/32/84/14/599328414.db2.gz TYQPHFMCJREBDU-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000736190535 599328416 /nfs/dbraw/zinc/32/84/16/599328416.db2.gz TYQPHFMCJREBDU-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735496177 599329184 /nfs/dbraw/zinc/32/91/84/599329184.db2.gz XJCLREQQKROTCE-KBPBESRZSA-N -1 3 395.488 3.891 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735496177 599329186 /nfs/dbraw/zinc/32/91/86/599329186.db2.gz XJCLREQQKROTCE-KBPBESRZSA-N -1 3 395.488 3.891 20 0 GHADHM Cc1ncc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000737493049 599330166 /nfs/dbraw/zinc/33/01/66/599330166.db2.gz XSRSPWALVFUQIY-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ncc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000737493049 599330169 /nfs/dbraw/zinc/33/01/69/599330169.db2.gz XSRSPWALVFUQIY-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1OCC(F)(F)F ZINC000737281322 599330275 /nfs/dbraw/zinc/33/02/75/599330275.db2.gz UJBZOLVHBGILRQ-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM Cc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1OCC(F)(F)F ZINC000737281322 599330278 /nfs/dbraw/zinc/33/02/78/599330278.db2.gz UJBZOLVHBGILRQ-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM C[C@@H](SCC(=O)NCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191731 599331557 /nfs/dbraw/zinc/33/15/57/599331557.db2.gz WHQBFRVRYJPFHF-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@@H](SCC(=O)NCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191731 599331562 /nfs/dbraw/zinc/33/15/62/599331562.db2.gz WHQBFRVRYJPFHF-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1nc(-c2ccccc2)cs1 ZINC000823070494 599350967 /nfs/dbraw/zinc/35/09/67/599350967.db2.gz AUZMLYLGPJNCOM-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccccc2)cs1 ZINC000823070494 599350969 /nfs/dbraw/zinc/35/09/69/599350969.db2.gz AUZMLYLGPJNCOM-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820727212 599359929 /nfs/dbraw/zinc/35/99/29/599359929.db2.gz IZPKYHOUFQQQSI-CMPLNLGQSA-N -1 3 378.358 3.851 20 0 GHADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820727212 599359931 /nfs/dbraw/zinc/35/99/31/599359931.db2.gz IZPKYHOUFQQQSI-CMPLNLGQSA-N -1 3 378.358 3.851 20 0 GHADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000822135453 599363249 /nfs/dbraw/zinc/36/32/49/599363249.db2.gz ARUDOYCPLUZZBU-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000822135453 599363252 /nfs/dbraw/zinc/36/32/52/599363252.db2.gz ARUDOYCPLUZZBU-UHFFFAOYSA-N -1 3 399.259 3.558 20 0 GHADHM C/C=C\c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(OC)c1 ZINC000820831948 599381010 /nfs/dbraw/zinc/38/10/10/599381010.db2.gz FLEHSFDHFXWGQY-ARJAWSKDSA-N -1 3 390.403 3.537 20 0 GHADHM C/C=C\c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(OC)c1 ZINC000820831948 599381012 /nfs/dbraw/zinc/38/10/12/599381012.db2.gz FLEHSFDHFXWGQY-ARJAWSKDSA-N -1 3 390.403 3.537 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(-c3nnn[n-]3)cc2)c1)c1cccs1 ZINC000823368065 599387815 /nfs/dbraw/zinc/38/78/15/599387815.db2.gz TVDVOIIZAWHGEH-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(-c3nn[n-]n3)cc2)c1)c1cccs1 ZINC000823368065 599387817 /nfs/dbraw/zinc/38/78/17/599387817.db2.gz TVDVOIIZAWHGEH-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM C[C@@H](NCc1csc(COc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438883 599395405 /nfs/dbraw/zinc/39/54/05/599395405.db2.gz YOTRPCUMBJEHEA-CQSZACIVSA-N -1 3 392.488 3.753 20 0 GHADHM CC(C)Oc1ccc(NCc2cc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000820174318 607372747 /nfs/dbraw/zinc/37/27/47/607372747.db2.gz RUVNPLMYEFLGQI-UHFFFAOYSA-N -1 3 376.420 3.921 20 0 GHADHM CC(C)Oc1ccc(NCc2cc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000820174318 607372750 /nfs/dbraw/zinc/37/27/50/607372750.db2.gz RUVNPLMYEFLGQI-UHFFFAOYSA-N -1 3 376.420 3.921 20 0 GHADHM c1ccc2c(c1)nc(NCc1cccnc1OC1CCCC1)cc2-c1nnn[n-]1 ZINC000738446316 599408955 /nfs/dbraw/zinc/40/89/55/599408955.db2.gz VHOAHSZPUKLHML-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1ccc2c(c1)nc(NCc1cccnc1OC1CCCC1)cc2-c1nn[n-]n1 ZINC000738446316 599408956 /nfs/dbraw/zinc/40/89/56/599408956.db2.gz VHOAHSZPUKLHML-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000820365164 599411697 /nfs/dbraw/zinc/41/16/97/599411697.db2.gz HWGSBROCZSGDGB-CYBMUJFWSA-N -1 3 396.470 3.864 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000820365164 599411701 /nfs/dbraw/zinc/41/17/01/599411701.db2.gz HWGSBROCZSGDGB-CYBMUJFWSA-N -1 3 396.470 3.864 20 0 GHADHM COc1ccc(CNc2cccc(COCc3ccco3)c2)cc1-c1nnn[n-]1 ZINC000821821332 599412945 /nfs/dbraw/zinc/41/29/45/599412945.db2.gz FNJATFAZBHPTGC-UHFFFAOYSA-N -1 3 391.431 3.797 20 0 GHADHM COc1ccc(CNc2cccc(COCc3ccco3)c2)cc1-c1nn[n-]n1 ZINC000821821332 599412947 /nfs/dbraw/zinc/41/29/47/599412947.db2.gz FNJATFAZBHPTGC-UHFFFAOYSA-N -1 3 391.431 3.797 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822345938 599430905 /nfs/dbraw/zinc/43/09/05/599430905.db2.gz WYBYUUXUAXCHFA-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822345938 599430907 /nfs/dbraw/zinc/43/09/07/599430907.db2.gz WYBYUUXUAXCHFA-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227596 599433845 /nfs/dbraw/zinc/43/38/45/599433845.db2.gz OLLAXCALJGGUEA-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227596 599433849 /nfs/dbraw/zinc/43/38/49/599433849.db2.gz OLLAXCALJGGUEA-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738383856 599434664 /nfs/dbraw/zinc/43/46/64/599434664.db2.gz CIJRCESXWSAOGD-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738383856 599434665 /nfs/dbraw/zinc/43/46/65/599434665.db2.gz CIJRCESXWSAOGD-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000821105022 599447705 /nfs/dbraw/zinc/44/77/05/599447705.db2.gz VQVWUVMFPAYSLV-UGKGYDQZSA-N -1 3 390.491 3.519 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000821105022 599447708 /nfs/dbraw/zinc/44/77/08/599447708.db2.gz VQVWUVMFPAYSLV-UGKGYDQZSA-N -1 3 390.491 3.519 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(CC)(CC)SC ZINC000821104470 599469161 /nfs/dbraw/zinc/46/91/61/599469161.db2.gz FBCUKRRCKDKODY-UHFFFAOYSA-N -1 3 390.557 3.710 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(CC)(CC)SC ZINC000821104470 599469163 /nfs/dbraw/zinc/46/91/63/599469163.db2.gz FBCUKRRCKDKODY-UHFFFAOYSA-N -1 3 390.557 3.710 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339510 599473541 /nfs/dbraw/zinc/47/35/41/599473541.db2.gz DENKLELGDSUBOL-QWHCGFSZSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339510 599473543 /nfs/dbraw/zinc/47/35/43/599473543.db2.gz DENKLELGDSUBOL-QWHCGFSZSA-N -1 3 384.871 3.984 20 0 GHADHM CC(C)[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820353108 599473822 /nfs/dbraw/zinc/47/38/22/599473822.db2.gz YDUNGGCIMXWCAR-SCLBCKFNSA-N -1 3 382.443 3.763 20 0 GHADHM CC(C)[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820353108 599473824 /nfs/dbraw/zinc/47/38/24/599473824.db2.gz YDUNGGCIMXWCAR-SCLBCKFNSA-N -1 3 382.443 3.763 20 0 GHADHM CCCN(Cc1csc([C@@H](C)OCC)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736481603 599474456 /nfs/dbraw/zinc/47/44/56/599474456.db2.gz RJKBOGFBRXEQFY-CQSZACIVSA-N -1 3 386.525 3.833 20 0 GHADHM CCCN(Cc1csc([C@@H](C)OCC)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736481603 599474458 /nfs/dbraw/zinc/47/44/58/599474458.db2.gz RJKBOGFBRXEQFY-CQSZACIVSA-N -1 3 386.525 3.833 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340250 599475873 /nfs/dbraw/zinc/47/58/73/599475873.db2.gz JCGSSCVXSYEJHP-OLZOCXBDSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340250 599475875 /nfs/dbraw/zinc/47/58/75/599475875.db2.gz JCGSSCVXSYEJHP-OLZOCXBDSA-N -1 3 384.871 3.984 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735984846 599500743 /nfs/dbraw/zinc/50/07/43/599500743.db2.gz HGBATTYSYWIIIV-SNVBAGLBSA-N -1 3 382.415 3.804 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735984846 599500745 /nfs/dbraw/zinc/50/07/45/599500745.db2.gz HGBATTYSYWIIIV-SNVBAGLBSA-N -1 3 382.415 3.804 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397893 599502332 /nfs/dbraw/zinc/50/23/32/599502332.db2.gz WIBNWVYUDUVAHQ-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397893 599502337 /nfs/dbraw/zinc/50/23/37/599502337.db2.gz WIBNWVYUDUVAHQ-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM O=C(NCCCC1CC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738057188 599502703 /nfs/dbraw/zinc/50/27/03/599502703.db2.gz YMYXPDRTQZRNGQ-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM O=C(NCCCC1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738057188 599502707 /nfs/dbraw/zinc/50/27/07/599502707.db2.gz YMYXPDRTQZRNGQ-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)sc2nccc(C)c12 ZINC000822379946 599503114 /nfs/dbraw/zinc/50/31/14/599503114.db2.gz WPAQXTJBAUJIDR-GFCCVEGCSA-N -1 3 378.461 3.584 20 0 GHADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)sc2nccc(C)c12 ZINC000822379946 599503116 /nfs/dbraw/zinc/50/31/16/599503116.db2.gz WPAQXTJBAUJIDR-GFCCVEGCSA-N -1 3 378.461 3.584 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328684 599504561 /nfs/dbraw/zinc/50/45/61/599504561.db2.gz QTKVXZHUADJGNE-OAHLLOKOSA-N -1 3 377.492 3.974 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328684 599504564 /nfs/dbraw/zinc/50/45/64/599504564.db2.gz QTKVXZHUADJGNE-OAHLLOKOSA-N -1 3 377.492 3.974 20 0 GHADHM Cc1ccc2c(CC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)coc2c1C ZINC000822274718 599515968 /nfs/dbraw/zinc/51/59/68/599515968.db2.gz GWJNEWSHEQKRJS-CQSZACIVSA-N -1 3 375.432 3.650 20 0 GHADHM Cc1ccc2c(CC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)coc2c1C ZINC000822274718 599515969 /nfs/dbraw/zinc/51/59/69/599515969.db2.gz GWJNEWSHEQKRJS-CQSZACIVSA-N -1 3 375.432 3.650 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820329688 599516986 /nfs/dbraw/zinc/51/69/86/599516986.db2.gz YOMOBEDHEIOMJU-LLVKDONJSA-N -1 3 390.274 3.984 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820329688 599516989 /nfs/dbraw/zinc/51/69/89/599516989.db2.gz YOMOBEDHEIOMJU-LLVKDONJSA-N -1 3 390.274 3.984 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(OC)c1 ZINC000737090863 599518602 /nfs/dbraw/zinc/51/86/02/599518602.db2.gz NTYRCYGNEPQXPW-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM COCCOc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737016242 599520746 /nfs/dbraw/zinc/52/07/46/599520746.db2.gz UYGFYHHSALRDOX-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COc1ccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C2)cc1 ZINC000737074418 599522637 /nfs/dbraw/zinc/52/26/37/599522637.db2.gz FVORAIGMEKHDAK-AWEZNQCLSA-N -1 3 389.381 3.888 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820533966 599532005 /nfs/dbraw/zinc/53/20/05/599532005.db2.gz IFWMHSDMJOLIDX-LSDHHAIUSA-N -1 3 379.464 3.635 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820533966 599532008 /nfs/dbraw/zinc/53/20/08/599532008.db2.gz IFWMHSDMJOLIDX-LSDHHAIUSA-N -1 3 379.464 3.635 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000737145542 599537009 /nfs/dbraw/zinc/53/70/09/599537009.db2.gz CTFSWOVAHSZKNO-ZDUSSCGKSA-N -1 3 389.381 3.888 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000823696170 599545958 /nfs/dbraw/zinc/54/59/58/599545958.db2.gz ABZYBKLTMJTPQO-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000823696170 599545961 /nfs/dbraw/zinc/54/59/61/599545961.db2.gz ABZYBKLTMJTPQO-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737319776 599553920 /nfs/dbraw/zinc/55/39/20/599553920.db2.gz GRUPURWRUNLUEM-QGZVFWFLSA-N -1 3 393.491 3.644 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737319776 599553923 /nfs/dbraw/zinc/55/39/23/599553923.db2.gz GRUPURWRUNLUEM-QGZVFWFLSA-N -1 3 393.491 3.644 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000737331749 599561322 /nfs/dbraw/zinc/56/13/22/599561322.db2.gz RMRDRIQJNYHAOZ-DOTOQJQBSA-N -1 3 395.463 3.679 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000737331749 599561325 /nfs/dbraw/zinc/56/13/25/599561325.db2.gz RMRDRIQJNYHAOZ-DOTOQJQBSA-N -1 3 395.463 3.679 20 0 GHADHM CN(Cc1ccsc1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736829624 599562867 /nfs/dbraw/zinc/56/28/67/599562867.db2.gz IUAICYMSMHFRHH-UHFFFAOYSA-N -1 3 390.472 3.944 20 0 GHADHM Cc1ccc([C@H](C)N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1 ZINC000822229033 599568324 /nfs/dbraw/zinc/56/83/24/599568324.db2.gz KUPRCDGVKAWEBB-HNNXBMFYSA-N -1 3 389.463 3.727 20 0 GHADHM COc1cccc(Oc2ncccc2CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821877897 599570853 /nfs/dbraw/zinc/57/08/53/599570853.db2.gz YMNQXCDFQLJBNF-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1cccc(Oc2ncccc2CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821877897 599570855 /nfs/dbraw/zinc/57/08/55/599570855.db2.gz YMNQXCDFQLJBNF-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM CC[C@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736392264 599598879 /nfs/dbraw/zinc/59/88/79/599598879.db2.gz PZNRUEZSKFMCMY-KRWDZBQOSA-N -1 3 385.468 3.507 20 0 GHADHM CC[C@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736392264 599598880 /nfs/dbraw/zinc/59/88/80/599598880.db2.gz PZNRUEZSKFMCMY-KRWDZBQOSA-N -1 3 385.468 3.507 20 0 GHADHM CC(C)c1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n[nH]1 ZINC000735923007 599603375 /nfs/dbraw/zinc/60/33/75/599603375.db2.gz RKVSBJXRAQCEMG-UHFFFAOYSA-N -1 3 388.435 3.709 20 0 GHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736302159 599608378 /nfs/dbraw/zinc/60/83/78/599608378.db2.gz QEPKWBNUTMONCR-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736302159 599608380 /nfs/dbraw/zinc/60/83/80/599608380.db2.gz QEPKWBNUTMONCR-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM Cn1c(C(=O)Nc2sccc2-c2nnn[n-]2)cc2cc(C(F)(F)F)ccc21 ZINC000822596637 599629840 /nfs/dbraw/zinc/62/98/40/599629840.db2.gz OJUICJLZFKEOMY-UHFFFAOYSA-N -1 3 392.366 3.691 20 0 GHADHM Cn1c(C(=O)Nc2sccc2-c2nn[n-]n2)cc2cc(C(F)(F)F)ccc21 ZINC000822596637 599629841 /nfs/dbraw/zinc/62/98/41/599629841.db2.gz OJUICJLZFKEOMY-UHFFFAOYSA-N -1 3 392.366 3.691 20 0 GHADHM O=C(CCCOc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822959140 599632352 /nfs/dbraw/zinc/63/23/52/599632352.db2.gz TWQKLXKNOFWANV-UHFFFAOYSA-N -1 3 391.353 3.683 20 0 GHADHM O=C(CCCOc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822959140 599632353 /nfs/dbraw/zinc/63/23/53/599632353.db2.gz TWQKLXKNOFWANV-UHFFFAOYSA-N -1 3 391.353 3.683 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(OC(F)F)c1 ZINC000823302962 599633066 /nfs/dbraw/zinc/63/30/66/599633066.db2.gz BOVFOEPGYJXHKT-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(OC(F)F)c1 ZINC000823302962 599633067 /nfs/dbraw/zinc/63/30/67/599633067.db2.gz BOVFOEPGYJXHKT-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(c2cccc(F)c2)CC1 ZINC000823302916 599633228 /nfs/dbraw/zinc/63/32/28/599633228.db2.gz ANODGLDRSJFUSA-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(c2cccc(F)c2)CC1 ZINC000823302916 599633229 /nfs/dbraw/zinc/63/32/29/599633229.db2.gz ANODGLDRSJFUSA-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1 ZINC000820570493 599636410 /nfs/dbraw/zinc/63/64/10/599636410.db2.gz KUUATIRLVJXQRY-AWEZNQCLSA-N -1 3 387.447 3.642 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000821230703 599636866 /nfs/dbraw/zinc/63/68/66/599636866.db2.gz OBYRTXRSFYIHGE-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000821230703 599636867 /nfs/dbraw/zinc/63/68/67/599636867.db2.gz OBYRTXRSFYIHGE-UHFFFAOYSA-N -1 3 381.827 3.597 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cccc(Cl)c1 ZINC000820832888 599649471 /nfs/dbraw/zinc/64/94/71/599649471.db2.gz PERZHEKZKMVNLS-VAWYXSNFSA-N -1 3 383.839 3.961 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cccc(Cl)c1 ZINC000820832888 599649472 /nfs/dbraw/zinc/64/94/72/599649472.db2.gz PERZHEKZKMVNLS-VAWYXSNFSA-N -1 3 383.839 3.961 20 0 GHADHM CC(C)CCOc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076684 599664598 /nfs/dbraw/zinc/66/45/98/599664598.db2.gz RCOLVMKBIUGVLE-OAHLLOKOSA-N -1 3 394.479 3.731 20 0 GHADHM CC(C)CCOc1ccc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076684 599664599 /nfs/dbraw/zinc/66/45/99/599664599.db2.gz RCOLVMKBIUGVLE-OAHLLOKOSA-N -1 3 394.479 3.731 20 0 GHADHM CCCCCC[C@H](C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821048941 599664968 /nfs/dbraw/zinc/66/49/68/599664968.db2.gz GXFRURDFNZXRRM-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCCC[C@H](C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821048941 599664969 /nfs/dbraw/zinc/66/49/69/599664969.db2.gz GXFRURDFNZXRRM-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076680 599667729 /nfs/dbraw/zinc/66/77/29/599667729.db2.gz RBRDPNZLJJACCI-UHFFFAOYSA-N -1 3 380.452 3.613 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076680 599667730 /nfs/dbraw/zinc/66/77/30/599667730.db2.gz RBRDPNZLJJACCI-UHFFFAOYSA-N -1 3 380.452 3.613 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233323 599668429 /nfs/dbraw/zinc/66/84/29/599668429.db2.gz MKYVRBWWNONLSM-IBGZPJMESA-N -1 3 376.464 3.612 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233323 599668430 /nfs/dbraw/zinc/66/84/30/599668430.db2.gz MKYVRBWWNONLSM-IBGZPJMESA-N -1 3 376.464 3.612 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819882873 599670390 /nfs/dbraw/zinc/67/03/90/599670390.db2.gz CEDBBNBWONKRMZ-NSHDSACASA-N -1 3 376.338 3.775 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819882873 599670391 /nfs/dbraw/zinc/67/03/91/599670391.db2.gz CEDBBNBWONKRMZ-NSHDSACASA-N -1 3 376.338 3.775 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)c2)cs1 ZINC000822418795 599671673 /nfs/dbraw/zinc/67/16/73/599671673.db2.gz GLMPJBJJZYSFHS-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)c2)cs1 ZINC000822418795 599671674 /nfs/dbraw/zinc/67/16/74/599671674.db2.gz GLMPJBJJZYSFHS-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820359326 599682263 /nfs/dbraw/zinc/68/22/63/599682263.db2.gz SDLUEADVHWABEP-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820359326 599682264 /nfs/dbraw/zinc/68/22/64/599682264.db2.gz SDLUEADVHWABEP-LBPRGKRZSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820548908 599689338 /nfs/dbraw/zinc/68/93/38/599689338.db2.gz HZBSILAZBUISQN-VIFPVBQESA-N -1 3 385.840 3.818 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820548908 599689339 /nfs/dbraw/zinc/68/93/39/599689339.db2.gz HZBSILAZBUISQN-VIFPVBQESA-N -1 3 385.840 3.818 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cn1 ZINC000820733559 607392210 /nfs/dbraw/zinc/39/22/10/607392210.db2.gz HDEQPDJPRLTSCH-NSHDSACASA-N -1 3 382.493 3.824 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cn1 ZINC000820733559 607392212 /nfs/dbraw/zinc/39/22/12/607392212.db2.gz HDEQPDJPRLTSCH-NSHDSACASA-N -1 3 382.493 3.824 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1nc(C(F)(F)F)cs1 ZINC000826167494 607783070 /nfs/dbraw/zinc/78/30/70/607783070.db2.gz GRRAXNGTGXUDRE-UHFFFAOYSA-N -1 3 391.762 3.583 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1nc(C(F)(F)F)cs1 ZINC000826167494 607783071 /nfs/dbraw/zinc/78/30/71/607783071.db2.gz GRRAXNGTGXUDRE-UHFFFAOYSA-N -1 3 391.762 3.583 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000820161657 607400175 /nfs/dbraw/zinc/40/01/75/607400175.db2.gz ZJJZAPUBHALKMB-RYUDHWBXSA-N -1 3 397.401 3.961 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000820161657 607400177 /nfs/dbraw/zinc/40/01/77/607400177.db2.gz ZJJZAPUBHALKMB-RYUDHWBXSA-N -1 3 397.401 3.961 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000737136315 599848037 /nfs/dbraw/zinc/84/80/37/599848037.db2.gz IDBKZNHFMUWFPC-HXUWFJFHSA-N -1 3 385.460 3.927 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000736273107 599849960 /nfs/dbraw/zinc/84/99/60/599849960.db2.gz KFCIRWRBDALRDQ-YOEHRIQHSA-N -1 3 378.469 3.589 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Sc2ccncc2)cc1 ZINC000823104136 607408013 /nfs/dbraw/zinc/40/80/13/607408013.db2.gz SCJXRTHZVNLSMI-UHFFFAOYSA-N -1 3 388.456 3.594 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Sc2ccncc2)cc1 ZINC000823104136 607408016 /nfs/dbraw/zinc/40/80/16/607408016.db2.gz SCJXRTHZVNLSMI-UHFFFAOYSA-N -1 3 388.456 3.594 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000826427795 607418487 /nfs/dbraw/zinc/41/84/87/607418487.db2.gz BBWSXPYMBUAGCI-LEWJYISDSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000826427795 607418488 /nfs/dbraw/zinc/41/84/88/607418488.db2.gz BBWSXPYMBUAGCI-LEWJYISDSA-N -1 3 395.466 3.929 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000819782005 607420899 /nfs/dbraw/zinc/42/08/99/607420899.db2.gz HGGGWDDSPDNBFY-UHFFFAOYSA-N -1 3 392.459 3.972 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000819782005 607420900 /nfs/dbraw/zinc/42/09/00/607420900.db2.gz HGGGWDDSPDNBFY-UHFFFAOYSA-N -1 3 392.459 3.972 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000826428167 607423128 /nfs/dbraw/zinc/42/31/28/607423128.db2.gz QYGVGEKUCJDHIO-UHFFFAOYSA-N -1 3 389.390 3.685 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000826428167 607423129 /nfs/dbraw/zinc/42/31/29/607423129.db2.gz QYGVGEKUCJDHIO-UHFFFAOYSA-N -1 3 389.390 3.685 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820164375 607427277 /nfs/dbraw/zinc/42/72/77/607427277.db2.gz JUTWGRUNUQZIJP-GFCCVEGCSA-N -1 3 386.481 3.940 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820164375 607427279 /nfs/dbraw/zinc/42/72/79/607427279.db2.gz JUTWGRUNUQZIJP-GFCCVEGCSA-N -1 3 386.481 3.940 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000826250765 607428715 /nfs/dbraw/zinc/42/87/15/607428715.db2.gz RARISTFBPAWSGC-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000826250765 607428717 /nfs/dbraw/zinc/42/87/17/607428717.db2.gz RARISTFBPAWSGC-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000826166909 607430525 /nfs/dbraw/zinc/43/05/25/607430525.db2.gz HDBDFBWLXPZUIV-QWRGUYRKSA-N -1 3 390.852 3.608 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000826166909 607430526 /nfs/dbraw/zinc/43/05/26/607430526.db2.gz HDBDFBWLXPZUIV-QWRGUYRKSA-N -1 3 390.852 3.608 20 0 GHADHM Cc1oc(NC(=O)CN(c2ccc(Cl)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000826342066 607432928 /nfs/dbraw/zinc/43/29/28/607432928.db2.gz XCNDCZVYDYINOF-UHFFFAOYSA-N -1 3 388.859 3.583 20 0 GHADHM CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833953 607435788 /nfs/dbraw/zinc/43/57/88/607435788.db2.gz PGJTUOAWUCPBRE-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833953 607435789 /nfs/dbraw/zinc/43/57/89/607435789.db2.gz PGJTUOAWUCPBRE-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000739380643 600399544 /nfs/dbraw/zinc/39/95/44/600399544.db2.gz BUOVYLXYEYRCEK-GOSISDBHSA-N -1 3 378.900 3.627 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(Cl)c1 ZINC000739483704 600427002 /nfs/dbraw/zinc/42/70/02/600427002.db2.gz IXCDGZTWHMPPGX-LJQANCHMSA-N -1 3 395.846 3.903 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ccc1O ZINC000822209403 607446116 /nfs/dbraw/zinc/44/61/16/607446116.db2.gz HNFUAEARKGUTKZ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1Cl ZINC000824498384 607446502 /nfs/dbraw/zinc/44/65/02/607446502.db2.gz GFQCGNGEPITXGU-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1Cl ZINC000824498384 607446505 /nfs/dbraw/zinc/44/65/05/607446505.db2.gz GFQCGNGEPITXGU-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000736715312 600480850 /nfs/dbraw/zinc/48/08/50/600480850.db2.gz DBCCOEHFXHDNGV-SJLPKXTDSA-N -1 3 398.528 3.646 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000822233477 607452695 /nfs/dbraw/zinc/45/26/95/607452695.db2.gz PTOGOPGYNVXOKI-HNNXBMFYSA-N -1 3 398.467 3.534 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000822233477 607452697 /nfs/dbraw/zinc/45/26/97/607452697.db2.gz PTOGOPGYNVXOKI-HNNXBMFYSA-N -1 3 398.467 3.534 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC000826306009 607457456 /nfs/dbraw/zinc/45/74/56/607457456.db2.gz NZQGVBZLFAETFN-LJQANCHMSA-N -1 3 390.491 3.861 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC000826306009 607457457 /nfs/dbraw/zinc/45/74/57/607457457.db2.gz NZQGVBZLFAETFN-LJQANCHMSA-N -1 3 390.491 3.861 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cscn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826268750 607465334 /nfs/dbraw/zinc/46/53/34/607465334.db2.gz LTDLMQBBTMYFFQ-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cscn1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826268750 607465335 /nfs/dbraw/zinc/46/53/35/607465335.db2.gz LTDLMQBBTMYFFQ-UHFFFAOYSA-N -1 3 380.452 3.978 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736815191 600744657 /nfs/dbraw/zinc/74/46/57/600744657.db2.gz PIOQDTSRIKCGJV-MRXNPFEDSA-N -1 3 382.464 3.905 20 0 GHADHM COc1ccccc1[C@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000573126991 600831800 /nfs/dbraw/zinc/83/18/00/600831800.db2.gz QOZWKQPCVSHYPR-HNNXBMFYSA-N -1 3 375.852 3.915 20 0 GHADHM CCCc1c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000829550768 600961671 /nfs/dbraw/zinc/96/16/71/600961671.db2.gz XIGRVFPXUNABMP-INIZCTEOSA-N -1 3 397.519 3.710 20 0 GHADHM CN([C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2cccnn2)C1 ZINC000830656014 601000588 /nfs/dbraw/zinc/00/05/88/601000588.db2.gz SFPCSFZSUUORQS-DYVFJYSZSA-N -1 3 395.290 3.510 20 0 GHADHM CSc1cccc(N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CCN(C)CC2)c1 ZINC000832785032 601156497 /nfs/dbraw/zinc/15/64/97/601156497.db2.gz FXQULPCFSPUEPU-HZPDHXFCSA-N -1 3 390.549 3.727 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)ccc2n1 ZINC000822280564 607494595 /nfs/dbraw/zinc/49/45/95/607494595.db2.gz RVNGNFMZOKLHJD-UHFFFAOYSA-N -1 3 390.472 3.916 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)ccc2n1 ZINC000822280564 607494596 /nfs/dbraw/zinc/49/45/96/607494596.db2.gz RVNGNFMZOKLHJD-UHFFFAOYSA-N -1 3 390.472 3.916 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 ZINC000826054716 601201370 /nfs/dbraw/zinc/20/13/70/601201370.db2.gz PNDXUFOKPCCTIO-JLCFBVMHSA-N -1 3 377.440 3.833 20 0 GHADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000820026135 607498211 /nfs/dbraw/zinc/49/82/11/607498211.db2.gz IFJJYLKBTAVZSY-OAHLLOKOSA-N -1 3 391.353 3.835 20 0 GHADHM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000820026135 607498213 /nfs/dbraw/zinc/49/82/13/607498213.db2.gz IFJJYLKBTAVZSY-OAHLLOKOSA-N -1 3 391.353 3.835 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820291969 607499602 /nfs/dbraw/zinc/49/96/02/607499602.db2.gz BEJNONAOHGPHOD-LSDHHAIUSA-N -1 3 381.505 3.613 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820291969 607499603 /nfs/dbraw/zinc/49/96/03/607499603.db2.gz BEJNONAOHGPHOD-LSDHHAIUSA-N -1 3 381.505 3.613 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000832914439 601511547 /nfs/dbraw/zinc/51/15/47/601511547.db2.gz FHTGTVUCBRKPLG-GXNBUGAJSA-N -1 3 382.460 3.563 20 0 GHADHM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000825833525 601633885 /nfs/dbraw/zinc/63/38/85/601633885.db2.gz CIXZRGCPBOLWAU-HXUWFJFHSA-N -1 3 376.472 3.527 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccccc1 ZINC000828277096 601654397 /nfs/dbraw/zinc/65/43/97/601654397.db2.gz IFKIILLRXJECJM-XFQAVAEZSA-N -1 3 398.528 3.956 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000826055406 601654650 /nfs/dbraw/zinc/65/46/50/601654650.db2.gz ZWLHPRZSOIKOEH-YVEFUNNKSA-N -1 3 394.443 3.991 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000829170100 601657006 /nfs/dbraw/zinc/65/70/06/601657006.db2.gz KEMGMEUXACKLPT-ZTQAJYAQSA-N -1 3 386.517 3.636 20 0 GHADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000827735205 601831167 /nfs/dbraw/zinc/83/11/67/601831167.db2.gz RIPIOZGUXHVGHQ-CQSZACIVSA-N -1 3 395.434 3.884 20 0 GHADHM CCc1ncsc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000825754598 607535334 /nfs/dbraw/zinc/53/53/34/607535334.db2.gz FECYNXHPHNVXSL-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCc1ncsc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000825754598 607535336 /nfs/dbraw/zinc/53/53/36/607535336.db2.gz FECYNXHPHNVXSL-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000830596286 601957053 /nfs/dbraw/zinc/95/70/53/601957053.db2.gz HJZVYSIEWZIFHO-MRXNPFEDSA-N -1 3 395.381 3.828 20 0 GHADHM CCc1ncsc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000825754541 607537559 /nfs/dbraw/zinc/53/75/59/607537559.db2.gz BTKRISDSXNZTLR-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncsc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000825754541 607537561 /nfs/dbraw/zinc/53/75/61/607537561.db2.gz BTKRISDSXNZTLR-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM O=C([O-])NCCc1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000740672430 602003865 /nfs/dbraw/zinc/00/38/65/602003865.db2.gz CYTBVKXQDHKQDR-UHFFFAOYSA-N -1 3 381.245 3.688 20 0 GHADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](CNc2ccccn2)C1 ZINC000833170058 602039361 /nfs/dbraw/zinc/03/93/61/602039361.db2.gz FDHONOPOFYZQQN-PXAZEXFGSA-N -1 3 380.275 3.948 20 0 GHADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000833172653 602042767 /nfs/dbraw/zinc/04/27/67/602042767.db2.gz VTQCNKAOFHXQTL-BZNIZROVSA-N -1 3 395.290 3.536 20 0 GHADHM O=C([O-])N(CCNCc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000740467628 602057037 /nfs/dbraw/zinc/05/70/37/602057037.db2.gz DJKZRCPDCVLJPL-UHFFFAOYSA-N -1 3 387.867 3.824 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC000832049029 602166773 /nfs/dbraw/zinc/16/67/73/602166773.db2.gz DIBYGJXUVVMUTE-RBZFPXEDSA-N -1 3 389.448 3.506 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000738854071 602503867 /nfs/dbraw/zinc/50/38/67/602503867.db2.gz LYPMCCISUNKLFU-UHFFFAOYSA-N -1 3 382.464 3.559 20 0 GHADHM Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1NC(=O)[O-] ZINC000830192962 602985053 /nfs/dbraw/zinc/98/50/53/602985053.db2.gz QUJFQGDXLVDVNA-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)NCC1(NC(=O)[O-])CCCCCC1 ZINC000739610250 603068115 /nfs/dbraw/zinc/06/81/15/603068115.db2.gz ORZKGVVAUWIGLN-UHFFFAOYSA-N -1 3 387.480 3.585 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739060317 603228842 /nfs/dbraw/zinc/22/88/42/603228842.db2.gz RXFQUUNJTLATBY-BBRMVZONSA-N -1 3 387.867 3.995 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccccc2SC(C)C)cc1-c1nnn[n-]1 ZINC000826200594 607620381 /nfs/dbraw/zinc/62/03/81/607620381.db2.gz YCTRKHAGHGOXQR-UHFFFAOYSA-N -1 3 398.492 3.698 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccccc2SC(C)C)cc1-c1nn[n-]n1 ZINC000826200594 607620383 /nfs/dbraw/zinc/62/03/83/607620383.db2.gz YCTRKHAGHGOXQR-UHFFFAOYSA-N -1 3 398.492 3.698 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000825427781 603368400 /nfs/dbraw/zinc/36/84/00/603368400.db2.gz ZCFOSLSAYLIVRI-OAHLLOKOSA-N -1 3 376.501 3.601 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000826244801 607653174 /nfs/dbraw/zinc/65/31/74/607653174.db2.gz DIBFUMSWEDGFPP-INIZCTEOSA-N -1 3 390.472 3.762 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000826244801 607653176 /nfs/dbraw/zinc/65/31/76/607653176.db2.gz DIBFUMSWEDGFPP-INIZCTEOSA-N -1 3 390.472 3.762 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000826252577 607652036 /nfs/dbraw/zinc/65/20/36/607652036.db2.gz IRTFZGSPNFEATB-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000826252577 607652038 /nfs/dbraw/zinc/65/20/38/607652038.db2.gz IRTFZGSPNFEATB-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000826243432 607660149 /nfs/dbraw/zinc/66/01/49/607660149.db2.gz IMKRUCKIPOQUQG-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000826243432 607660151 /nfs/dbraw/zinc/66/01/51/607660151.db2.gz IMKRUCKIPOQUQG-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826316205 607660490 /nfs/dbraw/zinc/66/04/90/607660490.db2.gz HEMAMOPUNAWVBH-SJORKVTESA-N -1 3 379.489 3.531 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826316205 607660492 /nfs/dbraw/zinc/66/04/92/607660492.db2.gz HEMAMOPUNAWVBH-SJORKVTESA-N -1 3 379.489 3.531 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000826246858 607661896 /nfs/dbraw/zinc/66/18/96/607661896.db2.gz NPZMFHOJPVTJDG-NSHDSACASA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000826246858 607661898 /nfs/dbraw/zinc/66/18/98/607661898.db2.gz NPZMFHOJPVTJDG-NSHDSACASA-N -1 3 391.353 3.565 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059740 607664218 /nfs/dbraw/zinc/66/42/18/607664218.db2.gz JNJBQPWXTDNGDL-XIKOKIGWSA-N -1 3 389.463 3.569 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc2ccccc2[nH]1 ZINC000825059740 607664220 /nfs/dbraw/zinc/66/42/20/607664220.db2.gz JNJBQPWXTDNGDL-XIKOKIGWSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826316725 607669673 /nfs/dbraw/zinc/66/96/73/607669673.db2.gz WVGDGLHZNDCCAD-KGLIPLIRSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826316725 607669675 /nfs/dbraw/zinc/66/96/75/607669675.db2.gz WVGDGLHZNDCCAD-KGLIPLIRSA-N -1 3 383.477 3.766 20 0 GHADHM O=C(CNc1cccc2ccsc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826414350 607687834 /nfs/dbraw/zinc/68/78/34/607687834.db2.gz RNWALJCPQFKGMT-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM O=C(CNc1cccc2ccsc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826414350 607687836 /nfs/dbraw/zinc/68/78/36/607687836.db2.gz RNWALJCPQFKGMT-UHFFFAOYSA-N -1 3 384.852 3.785 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2)nc1 ZINC000826292571 607690170 /nfs/dbraw/zinc/69/01/70/607690170.db2.gz AMZYMFQHQKCYKQ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2)nc1 ZINC000826292571 607690172 /nfs/dbraw/zinc/69/01/72/607690172.db2.gz AMZYMFQHQKCYKQ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826283665 607693690 /nfs/dbraw/zinc/69/36/90/607693690.db2.gz XCXYRLRGISOAIV-INIZCTEOSA-N -1 3 393.491 3.945 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283665 607693692 /nfs/dbraw/zinc/69/36/92/607693692.db2.gz XCXYRLRGISOAIV-INIZCTEOSA-N -1 3 393.491 3.945 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cccc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)c21 ZINC000833437210 604649371 /nfs/dbraw/zinc/64/93/71/604649371.db2.gz FDGRCXMFSZPYKC-QGZVFWFLSA-N -1 3 386.492 3.671 20 0 GHADHM COc1cc(N[C@H]2CCCN(Cc3ccc(F)cc3C(=O)[O-])C2)cc(OC)c1 ZINC000832026133 604799173 /nfs/dbraw/zinc/79/91/73/604799173.db2.gz HNLYMJMZVVYQCB-INIZCTEOSA-N -1 3 388.439 3.618 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410636 604949875 /nfs/dbraw/zinc/94/98/75/604949875.db2.gz ZLJADGCDHDLPIA-CHWSQXEVSA-N -1 3 386.414 3.855 20 0 GHADHM CC(C)CC[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000833479708 605082841 /nfs/dbraw/zinc/08/28/41/605082841.db2.gz AQLNCEHDBZMKSP-GOSISDBHSA-N -1 3 380.916 3.730 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824394296 607733079 /nfs/dbraw/zinc/73/30/79/607733079.db2.gz XCLRYCZZKNISDU-RNCFNFMXSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824394296 607733081 /nfs/dbraw/zinc/73/30/81/607733081.db2.gz XCLRYCZZKNISDU-RNCFNFMXSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000825502863 605118578 /nfs/dbraw/zinc/11/85/78/605118578.db2.gz LWTXMSGLZDJMIH-CVEARBPZSA-N -1 3 381.476 3.993 20 0 GHADHM CCc1csc([C@@H]2CCCN(Cc3cc(C(=O)[O-])cc(C(=O)OC)c3)C2)n1 ZINC000833676235 605203181 /nfs/dbraw/zinc/20/31/81/605203181.db2.gz HIYFGXNNWKQFTF-CQSZACIVSA-N -1 3 388.489 3.570 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Br)c3cccnc13)CC2 ZINC000405372821 605480068 /nfs/dbraw/zinc/48/00/68/605480068.db2.gz RBNSRASWOAYUEY-CQSZACIVSA-N -1 3 375.266 3.684 20 0 GHADHM COc1cc(C)cc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000826178446 607762026 /nfs/dbraw/zinc/76/20/26/607762026.db2.gz YMDOKVWIUPUVPE-UHFFFAOYSA-N -1 3 399.454 3.781 20 0 GHADHM COc1cc(C)cc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000826178446 607762027 /nfs/dbraw/zinc/76/20/27/607762027.db2.gz YMDOKVWIUPUVPE-UHFFFAOYSA-N -1 3 399.454 3.781 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830445049 605589038 /nfs/dbraw/zinc/58/90/38/605589038.db2.gz DPHKPWKRDQSCAA-YLJYHZDGSA-N -1 3 379.460 3.841 20 0 GHADHM O=C(C=Cc1cccs1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403039 607769861 /nfs/dbraw/zinc/76/98/61/607769861.db2.gz IOACOBAWIRTDEB-SREVYHEPSA-N -1 3 380.458 3.704 20 0 GHADHM O=C(C=Cc1cccs1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403039 607769862 /nfs/dbraw/zinc/76/98/62/607769862.db2.gz IOACOBAWIRTDEB-SREVYHEPSA-N -1 3 380.458 3.704 20 0 GHADHM O=C(CSc1ccccc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826421204 607770912 /nfs/dbraw/zinc/77/09/12/607770912.db2.gz WQJNNUBOPKKQRL-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccccc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826421204 607770913 /nfs/dbraw/zinc/77/09/13/607770913.db2.gz WQJNNUBOPKKQRL-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nn1C ZINC000820187782 606099596 /nfs/dbraw/zinc/09/95/96/606099596.db2.gz REEMRTOFJNIGJS-UHFFFAOYSA-N -1 3 388.431 3.610 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nn1C ZINC000820187782 606099599 /nfs/dbraw/zinc/09/95/99/606099599.db2.gz REEMRTOFJNIGJS-UHFFFAOYSA-N -1 3 388.431 3.610 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717211 606109907 /nfs/dbraw/zinc/10/99/07/606109907.db2.gz OXRONMYWFVNSRY-BFUOFWGJSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717211 606109910 /nfs/dbraw/zinc/10/99/10/606109910.db2.gz OXRONMYWFVNSRY-BFUOFWGJSA-N -1 3 397.479 3.708 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822230751 606116415 /nfs/dbraw/zinc/11/64/15/606116415.db2.gz PEISFYDGJHCHRB-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822230751 606116417 /nfs/dbraw/zinc/11/64/17/606116417.db2.gz PEISFYDGJHCHRB-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820643332 606138687 /nfs/dbraw/zinc/13/86/87/606138687.db2.gz UNEVPYDYIGJDJU-GXTWGEPZSA-N -1 3 388.397 3.738 20 0 GHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820643332 606138688 /nfs/dbraw/zinc/13/86/88/606138688.db2.gz UNEVPYDYIGJDJU-GXTWGEPZSA-N -1 3 388.397 3.738 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1N[C@H](C)C(=O)N(C)C(C)C ZINC000822211630 606155370 /nfs/dbraw/zinc/15/53/70/606155370.db2.gz IEGHUDHDNBKIGC-OAHLLOKOSA-N -1 3 394.479 3.635 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1N[C@H](C)C(=O)N(C)C(C)C ZINC000822211630 606155371 /nfs/dbraw/zinc/15/53/71/606155371.db2.gz IEGHUDHDNBKIGC-OAHLLOKOSA-N -1 3 394.479 3.635 20 0 GHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820570321 606159586 /nfs/dbraw/zinc/15/95/86/606159586.db2.gz HDERPSDGQHWNDU-AWEZNQCLSA-N -1 3 396.495 3.757 20 0 GHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820570321 606159588 /nfs/dbraw/zinc/15/95/88/606159588.db2.gz HDERPSDGQHWNDU-AWEZNQCLSA-N -1 3 396.495 3.757 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374232 606160539 /nfs/dbraw/zinc/16/05/39/606160539.db2.gz NFSARHVCMUQSOC-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374232 606160540 /nfs/dbraw/zinc/16/05/40/606160540.db2.gz NFSARHVCMUQSOC-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820643253 606167529 /nfs/dbraw/zinc/16/75/29/606167529.db2.gz SNPIDGCIEGCBKO-GDBMZVCRSA-N -1 3 378.505 3.517 20 0 GHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820643253 606167531 /nfs/dbraw/zinc/16/75/31/606167531.db2.gz SNPIDGCIEGCBKO-GDBMZVCRSA-N -1 3 378.505 3.517 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548878 606178885 /nfs/dbraw/zinc/17/88/85/606178885.db2.gz HDFDWPOSCUMNMI-KGLIPLIRSA-N -1 3 399.495 3.847 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548878 606178886 /nfs/dbraw/zinc/17/88/86/606178886.db2.gz HDFDWPOSCUMNMI-KGLIPLIRSA-N -1 3 399.495 3.847 20 0 GHADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1c2ccccc2-c2ccccc21 ZINC000821570592 606185195 /nfs/dbraw/zinc/18/51/95/606185195.db2.gz CBDFAALZHYPLJC-UHFFFAOYSA-N -1 3 396.454 3.507 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000434229713 606206908 /nfs/dbraw/zinc/20/69/08/606206908.db2.gz WRSMJZITLHXSNI-CCHVVGMOSA-N -1 3 391.397 3.954 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000434229713 606206910 /nfs/dbraw/zinc/20/69/10/606206910.db2.gz WRSMJZITLHXSNI-CCHVVGMOSA-N -1 3 391.397 3.954 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000822645576 606209083 /nfs/dbraw/zinc/20/90/83/606209083.db2.gz FOGFDWARRWPCCQ-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000822645576 606209085 /nfs/dbraw/zinc/20/90/85/606209085.db2.gz FOGFDWARRWPCCQ-UHFFFAOYSA-N -1 3 394.822 3.903 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148407 606222949 /nfs/dbraw/zinc/22/29/49/606222949.db2.gz OKFLGQOMBHAEEP-MDJJKAFGSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148407 606222951 /nfs/dbraw/zinc/22/29/51/606222951.db2.gz OKFLGQOMBHAEEP-MDJJKAFGSA-N -1 3 391.475 3.888 20 0 GHADHM CC(C)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820111612 606239609 /nfs/dbraw/zinc/23/96/09/606239609.db2.gz BZOGVZMNTYAFSQ-UHFFFAOYSA-N -1 3 379.251 3.567 20 0 GHADHM CC(C)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000820111612 606239612 /nfs/dbraw/zinc/23/96/12/606239612.db2.gz BZOGVZMNTYAFSQ-UHFFFAOYSA-N -1 3 379.251 3.567 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823350557 606246289 /nfs/dbraw/zinc/24/62/89/606246289.db2.gz RDDRZESDWBOJQP-SJORKVTESA-N -1 3 393.422 3.569 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823350557 606246290 /nfs/dbraw/zinc/24/62/90/606246290.db2.gz RDDRZESDWBOJQP-SJORKVTESA-N -1 3 393.422 3.569 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350351 606259485 /nfs/dbraw/zinc/25/94/85/606259485.db2.gz KDCLIORBXPQLAE-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350351 606259487 /nfs/dbraw/zinc/25/94/87/606259487.db2.gz KDCLIORBXPQLAE-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974585 606267187 /nfs/dbraw/zinc/26/71/87/606267187.db2.gz SQUPEASPWPNCBD-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974585 606267188 /nfs/dbraw/zinc/26/71/88/606267188.db2.gz SQUPEASPWPNCBD-UHFFFAOYSA-N -1 3 396.209 3.720 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822424622 606268815 /nfs/dbraw/zinc/26/88/15/606268815.db2.gz XVMJUBOBWXQGQR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822424622 606268817 /nfs/dbraw/zinc/26/88/17/606268817.db2.gz XVMJUBOBWXQGQR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)cc1 ZINC000821846588 606270099 /nfs/dbraw/zinc/27/00/99/606270099.db2.gz VBWNVGZIWLTOQA-UHFFFAOYSA-N -1 3 392.444 3.607 20 0 GHADHM COc1ccc(Sc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)cc1 ZINC000821846588 606270100 /nfs/dbraw/zinc/27/01/00/606270100.db2.gz VBWNVGZIWLTOQA-UHFFFAOYSA-N -1 3 392.444 3.607 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cnc(-c2ccccc2F)s1 ZINC000823346167 606270744 /nfs/dbraw/zinc/27/07/44/606270744.db2.gz KLUPWDVVNAODQY-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cnc(-c2ccccc2F)s1 ZINC000823346167 606270745 /nfs/dbraw/zinc/27/07/45/606270745.db2.gz KLUPWDVVNAODQY-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821962826 606277227 /nfs/dbraw/zinc/27/72/27/606277227.db2.gz XHEOIZCUFGYDAO-CYBMUJFWSA-N -1 3 399.545 3.889 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821962826 606277228 /nfs/dbraw/zinc/27/72/28/606277228.db2.gz XHEOIZCUFGYDAO-CYBMUJFWSA-N -1 3 399.545 3.889 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820555453 606324095 /nfs/dbraw/zinc/32/40/95/606324095.db2.gz LJFALKSSIKADDD-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820555453 606324097 /nfs/dbraw/zinc/32/40/97/606324097.db2.gz LJFALKSSIKADDD-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819835719 606338839 /nfs/dbraw/zinc/33/88/39/606338839.db2.gz YVAPMOAYOQJSHJ-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819835719 606338841 /nfs/dbraw/zinc/33/88/41/606338841.db2.gz YVAPMOAYOQJSHJ-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM C[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497443 606344205 /nfs/dbraw/zinc/34/42/05/606344205.db2.gz RMPOUDUSWYXHIY-SNVBAGLBSA-N -1 3 393.230 3.857 20 0 GHADHM C[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497443 606344207 /nfs/dbraw/zinc/34/42/07/606344207.db2.gz RMPOUDUSWYXHIY-SNVBAGLBSA-N -1 3 393.230 3.857 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508313 606344771 /nfs/dbraw/zinc/34/47/71/606344771.db2.gz OMOZGGQVMKKYFX-ZDUSSCGKSA-N -1 3 387.399 3.552 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508313 606344773 /nfs/dbraw/zinc/34/47/73/606344773.db2.gz OMOZGGQVMKKYFX-ZDUSSCGKSA-N -1 3 387.399 3.552 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821407923 606344815 /nfs/dbraw/zinc/34/48/15/606344815.db2.gz XZVXHTJFJIVSPU-WMLDXEAASA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821407923 606344816 /nfs/dbraw/zinc/34/48/16/606344816.db2.gz XZVXHTJFJIVSPU-WMLDXEAASA-N -1 3 392.463 3.675 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822234684 606347630 /nfs/dbraw/zinc/34/76/30/606347630.db2.gz DQLFMOSPDLUABF-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822234684 606347632 /nfs/dbraw/zinc/34/76/32/606347632.db2.gz DQLFMOSPDLUABF-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821427567 606353537 /nfs/dbraw/zinc/35/35/37/606353537.db2.gz VTPBOSBLFKNBJA-AWEZNQCLSA-N -1 3 396.447 3.727 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821427567 606353538 /nfs/dbraw/zinc/35/35/38/606353538.db2.gz VTPBOSBLFKNBJA-AWEZNQCLSA-N -1 3 396.447 3.727 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822534813 606357237 /nfs/dbraw/zinc/35/72/37/606357237.db2.gz AGSFOQXVVDONHM-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822534813 606357238 /nfs/dbraw/zinc/35/72/38/606357238.db2.gz AGSFOQXVVDONHM-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000823343907 606358504 /nfs/dbraw/zinc/35/85/04/606358504.db2.gz KKDNYUKINWRFLM-HNNXBMFYSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](c2ccccc2)CC1 ZINC000823343907 606358505 /nfs/dbraw/zinc/35/85/05/606358505.db2.gz KKDNYUKINWRFLM-HNNXBMFYSA-N -1 3 380.427 3.807 20 0 GHADHM CCOc1cccnc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821437157 606361202 /nfs/dbraw/zinc/36/12/02/606361202.db2.gz KIASPOSAFOKYNG-UHFFFAOYSA-N -1 3 387.399 3.547 20 0 GHADHM CCOc1cccnc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821437157 606361204 /nfs/dbraw/zinc/36/12/04/606361204.db2.gz KIASPOSAFOKYNG-UHFFFAOYSA-N -1 3 387.399 3.547 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938913 606373856 /nfs/dbraw/zinc/37/38/56/606373856.db2.gz ONOXIRCRTZONTH-OAHLLOKOSA-N -1 3 390.802 3.560 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938913 606373859 /nfs/dbraw/zinc/37/38/59/606373859.db2.gz ONOXIRCRTZONTH-OAHLLOKOSA-N -1 3 390.802 3.560 20 0 GHADHM C[C@@H]1CCc2sc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)cc2C1 ZINC000820733282 606411990 /nfs/dbraw/zinc/41/19/90/606411990.db2.gz DOKNYIRMFHRKOO-SNVBAGLBSA-N -1 3 387.896 3.983 20 0 GHADHM C[C@@H]1CCc2sc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)cc2C1 ZINC000820733282 606411992 /nfs/dbraw/zinc/41/19/92/606411992.db2.gz DOKNYIRMFHRKOO-SNVBAGLBSA-N -1 3 387.896 3.983 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350265 606439372 /nfs/dbraw/zinc/43/93/72/606439372.db2.gz KBEOXLLHQVFAGY-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350265 606439374 /nfs/dbraw/zinc/43/93/74/606439374.db2.gz KBEOXLLHQVFAGY-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820112373 606457971 /nfs/dbraw/zinc/45/79/71/606457971.db2.gz SHQAEZOINDVDSC-UHFFFAOYSA-N -1 3 384.871 3.613 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820112373 606457972 /nfs/dbraw/zinc/45/79/72/606457972.db2.gz SHQAEZOINDVDSC-UHFFFAOYSA-N -1 3 384.871 3.613 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2C)cc1 ZINC000821732798 606478517 /nfs/dbraw/zinc/47/85/17/606478517.db2.gz URHRVPJVESOLHE-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2C)cc1 ZINC000821732798 606478519 /nfs/dbraw/zinc/47/85/19/606478519.db2.gz URHRVPJVESOLHE-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000823472288 606490085 /nfs/dbraw/zinc/49/00/85/606490085.db2.gz HCZZAKLTALEIQD-GOSISDBHSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000823472288 606490086 /nfs/dbraw/zinc/49/00/86/606490086.db2.gz HCZZAKLTALEIQD-GOSISDBHSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1Br ZINC000823308848 606490906 /nfs/dbraw/zinc/49/09/06/606490906.db2.gz KYURCUMTUGQCAH-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1Br ZINC000823308848 606490907 /nfs/dbraw/zinc/49/09/07/606490907.db2.gz KYURCUMTUGQCAH-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000821099631 606492077 /nfs/dbraw/zinc/49/20/77/606492077.db2.gz LYFMRUPAOIJBFD-UHFFFAOYSA-N -1 3 375.476 3.628 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000821099631 606492078 /nfs/dbraw/zinc/49/20/78/606492078.db2.gz LYFMRUPAOIJBFD-UHFFFAOYSA-N -1 3 375.476 3.628 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000820333818 606492927 /nfs/dbraw/zinc/49/29/27/606492927.db2.gz GXMIQEHCXPPFQM-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000820333818 606492928 /nfs/dbraw/zinc/49/29/28/606492928.db2.gz GXMIQEHCXPPFQM-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2cc(Cl)ccc2S1 ZINC000820716535 606515017 /nfs/dbraw/zinc/51/50/17/606515017.db2.gz JHVRRYXNGORVHD-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2cc(Cl)ccc2S1 ZINC000820716535 606515019 /nfs/dbraw/zinc/51/50/19/606515019.db2.gz JHVRRYXNGORVHD-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821877952 606558462 /nfs/dbraw/zinc/55/84/62/606558462.db2.gz ZZKIGSVOKSJOBQ-UHFFFAOYSA-N -1 3 385.427 3.724 20 0 GHADHM COc1ccccc1-c1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821877952 606558463 /nfs/dbraw/zinc/55/84/63/606558463.db2.gz ZZKIGSVOKSJOBQ-UHFFFAOYSA-N -1 3 385.427 3.724 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000820507320 606563588 /nfs/dbraw/zinc/56/35/88/606563588.db2.gz GTYPXMSWRJGETI-LLVKDONJSA-N -1 3 384.461 3.654 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000820507320 606563590 /nfs/dbraw/zinc/56/35/90/606563590.db2.gz GTYPXMSWRJGETI-LLVKDONJSA-N -1 3 384.461 3.654 20 0 GHADHM O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440109 606569458 /nfs/dbraw/zinc/56/94/58/606569458.db2.gz CLVLBCRSFZYMNL-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440109 606569459 /nfs/dbraw/zinc/56/94/59/606569459.db2.gz CLVLBCRSFZYMNL-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM COCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821680434 606574884 /nfs/dbraw/zinc/57/48/84/606574884.db2.gz JBBZBXLGZNHZMP-UHFFFAOYSA-N -1 3 396.451 3.514 20 0 GHADHM COCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821680434 606574886 /nfs/dbraw/zinc/57/48/86/606574886.db2.gz JBBZBXLGZNHZMP-UHFFFAOYSA-N -1 3 396.451 3.514 20 0 GHADHM CN(C)C(=O)Sc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000821578247 606596540 /nfs/dbraw/zinc/59/65/40/606596540.db2.gz VGIMABDTMCDIFJ-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM CN(C)C(=O)Sc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000821578247 606596542 /nfs/dbraw/zinc/59/65/42/606596542.db2.gz VGIMABDTMCDIFJ-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM O=C(CCc1ccoc1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822983660 606603477 /nfs/dbraw/zinc/60/34/77/606603477.db2.gz RSUHVROHZXDODQ-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM O=C(CCc1ccoc1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822983660 606603478 /nfs/dbraw/zinc/60/34/78/606603478.db2.gz RSUHVROHZXDODQ-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM COc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000821794849 606619975 /nfs/dbraw/zinc/61/99/75/606619975.db2.gz OAHWGOBHVDFNDF-UHFFFAOYSA-N -1 3 399.882 3.572 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N[C@H](c1ccccc1)C1CC1 ZINC000823065924 606629740 /nfs/dbraw/zinc/62/97/40/606629740.db2.gz FICXNKANFIBKAY-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N[C@H](c1ccccc1)C1CC1 ZINC000823065924 606629742 /nfs/dbraw/zinc/62/97/42/606629742.db2.gz FICXNKANFIBKAY-GOSISDBHSA-N -1 3 399.907 3.880 20 0 GHADHM CC(C)c1nc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)no1 ZINC000820201983 606656306 /nfs/dbraw/zinc/65/63/06/606656306.db2.gz DAMSKAOTYGMKHO-UHFFFAOYSA-N -1 3 395.398 3.917 20 0 GHADHM CC(C)c1nc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)no1 ZINC000820201983 606656307 /nfs/dbraw/zinc/65/63/07/606656307.db2.gz DAMSKAOTYGMKHO-UHFFFAOYSA-N -1 3 395.398 3.917 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823309030 606665507 /nfs/dbraw/zinc/66/55/07/606665507.db2.gz PUXIDZYNQPJQHI-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000823309030 606665508 /nfs/dbraw/zinc/66/55/08/606665508.db2.gz PUXIDZYNQPJQHI-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@]3(C)CCCO3)c2-c2nnn[n-]2)C1 ZINC000820578255 606665989 /nfs/dbraw/zinc/66/59/89/606665989.db2.gz ZOSXEFOWSOWHRU-NSPYISDASA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@]3(C)CCCO3)c2-c2nn[n-]n2)C1 ZINC000820578255 606665990 /nfs/dbraw/zinc/66/59/90/606665990.db2.gz ZOSXEFOWSOWHRU-NSPYISDASA-N -1 3 389.525 3.587 20 0 GHADHM O=C(Nc1nc2cc(Cl)ccc2s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823380309 606669014 /nfs/dbraw/zinc/66/90/14/606669014.db2.gz VTPSOGHFTGJLNP-UHFFFAOYSA-N -1 3 392.778 3.660 20 0 GHADHM O=C(Nc1nc2cc(Cl)ccc2s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823380309 606669015 /nfs/dbraw/zinc/66/90/15/606669015.db2.gz VTPSOGHFTGJLNP-UHFFFAOYSA-N -1 3 392.778 3.660 20 0 GHADHM O=C(Nc1cccnc1Oc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823372644 606672036 /nfs/dbraw/zinc/67/20/36/606672036.db2.gz IUTWROONLQNDAM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cccnc1Oc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823372644 606672037 /nfs/dbraw/zinc/67/20/37/606672037.db2.gz IUTWROONLQNDAM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000822409152 606677376 /nfs/dbraw/zinc/67/73/76/606677376.db2.gz NGZHASXWJCWIQN-UHFFFAOYSA-N -1 3 399.382 3.796 20 0 GHADHM Cc1csc(-c2cccc(OC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000822409152 606677377 /nfs/dbraw/zinc/67/73/77/606677377.db2.gz NGZHASXWJCWIQN-UHFFFAOYSA-N -1 3 399.382 3.796 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCC2 ZINC000822035292 606680987 /nfs/dbraw/zinc/68/09/87/606680987.db2.gz RWFRXKWAQWJDEL-UHFFFAOYSA-N -1 3 389.793 3.700 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CCC2 ZINC000822035292 606680988 /nfs/dbraw/zinc/68/09/88/606680988.db2.gz RWFRXKWAQWJDEL-UHFFFAOYSA-N -1 3 389.793 3.700 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820039051 606689479 /nfs/dbraw/zinc/68/94/79/606689479.db2.gz UQEICFDOAOXLAT-QGZVFWFLSA-N -1 3 377.448 3.777 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820039051 606689480 /nfs/dbraw/zinc/68/94/80/606689480.db2.gz UQEICFDOAOXLAT-QGZVFWFLSA-N -1 3 377.448 3.777 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823303945 606696188 /nfs/dbraw/zinc/69/61/88/606696188.db2.gz ZUFQHMRZLHWSEH-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823303945 606696189 /nfs/dbraw/zinc/69/61/89/606696189.db2.gz ZUFQHMRZLHWSEH-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000821412957 606701262 /nfs/dbraw/zinc/70/12/62/606701262.db2.gz VBJSWSDILQIXKM-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000821412957 606701263 /nfs/dbraw/zinc/70/12/63/606701263.db2.gz VBJSWSDILQIXKM-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823557484 606712045 /nfs/dbraw/zinc/71/20/45/606712045.db2.gz LNUYBDLSXLCRAU-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823557484 606712046 /nfs/dbraw/zinc/71/20/46/606712046.db2.gz LNUYBDLSXLCRAU-FPLPWBNLSA-N -1 3 396.259 3.586 20 0 GHADHM Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c(OCC(F)(F)F)c1 ZINC000822238794 606726375 /nfs/dbraw/zinc/72/63/75/606726375.db2.gz VBNREGPOOYJFOW-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c(OCC(F)(F)F)c1 ZINC000822238794 606726377 /nfs/dbraw/zinc/72/63/77/606726377.db2.gz VBNREGPOOYJFOW-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cccc1C(F)(F)F ZINC000822059282 606739677 /nfs/dbraw/zinc/73/96/77/606739677.db2.gz ANRXJTXPEMCBHH-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cccc1C(F)(F)F ZINC000822059282 606739680 /nfs/dbraw/zinc/73/96/80/606739680.db2.gz ANRXJTXPEMCBHH-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1occc1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822146188 606787680 /nfs/dbraw/zinc/78/76/80/606787680.db2.gz VLNNRVDSPYHRAO-UHFFFAOYSA-N -1 3 389.415 3.799 20 0 GHADHM Cc1occc1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822146188 606787682 /nfs/dbraw/zinc/78/76/82/606787682.db2.gz VLNNRVDSPYHRAO-UHFFFAOYSA-N -1 3 389.415 3.799 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000822138081 606798058 /nfs/dbraw/zinc/79/80/58/606798058.db2.gz ZPZZPQZGAYSLOG-UKRRQHHQSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000822138081 606798060 /nfs/dbraw/zinc/79/80/60/606798060.db2.gz ZPZZPQZGAYSLOG-UKRRQHHQSA-N -1 3 377.448 3.838 20 0 GHADHM Fc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000822771377 606798701 /nfs/dbraw/zinc/79/87/01/606798701.db2.gz GQFDBXSNOCEHHL-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000822771377 606798703 /nfs/dbraw/zinc/79/87/03/606798703.db2.gz GQFDBXSNOCEHHL-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM CCOc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1OC(F)F ZINC000821430874 606799251 /nfs/dbraw/zinc/79/92/51/606799251.db2.gz HLOBMPYYOBPGSJ-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821837385 606801038 /nfs/dbraw/zinc/80/10/38/606801038.db2.gz DDVRTTCAJXHRHF-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821837385 606801040 /nfs/dbraw/zinc/80/10/40/606801040.db2.gz DDVRTTCAJXHRHF-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412195 606821764 /nfs/dbraw/zinc/82/17/64/606821764.db2.gz KVSVCKLDSFOKLX-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412195 606821766 /nfs/dbraw/zinc/82/17/66/606821766.db2.gz KVSVCKLDSFOKLX-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823332133 606834909 /nfs/dbraw/zinc/83/49/09/606834909.db2.gz KDROYEKKTJVUFH-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000823332133 606834910 /nfs/dbraw/zinc/83/49/10/606834910.db2.gz KDROYEKKTJVUFH-UHFFFAOYSA-N -1 3 396.401 3.856 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000820548618 606851049 /nfs/dbraw/zinc/85/10/49/606851049.db2.gz DDTPPRUMLSDCGS-LBPRGKRZSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000820548618 606851050 /nfs/dbraw/zinc/85/10/50/606851050.db2.gz DDTPPRUMLSDCGS-LBPRGKRZSA-N -1 3 399.907 3.586 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)CCN1c1ccccc1F ZINC000823514320 606854350 /nfs/dbraw/zinc/85/43/50/606854350.db2.gz ZCCRGVNIPQFSAV-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)CCN1c1ccccc1F ZINC000823514320 606854351 /nfs/dbraw/zinc/85/43/51/606854351.db2.gz ZCCRGVNIPQFSAV-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM Brc1ccc(N2CCCC2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819689104 606866023 /nfs/dbraw/zinc/86/60/23/606866023.db2.gz USRMXOVUUNBOLD-UHFFFAOYSA-N -1 3 399.296 3.842 20 0 GHADHM Brc1ccc(N2CCCC2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819689104 606866025 /nfs/dbraw/zinc/86/60/25/606866025.db2.gz USRMXOVUUNBOLD-UHFFFAOYSA-N -1 3 399.296 3.842 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000821041140 606905792 /nfs/dbraw/zinc/90/57/92/606905792.db2.gz ZRFOHABLOLKBMN-LLVKDONJSA-N -1 3 380.399 3.512 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000821041140 606905794 /nfs/dbraw/zinc/90/57/94/606905794.db2.gz ZRFOHABLOLKBMN-LLVKDONJSA-N -1 3 380.399 3.512 20 0 GHADHM CCOc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1OC ZINC000821422013 606920008 /nfs/dbraw/zinc/92/00/08/606920008.db2.gz JXETWECDPDTTQR-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM CCOc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1OC ZINC000821422013 606920010 /nfs/dbraw/zinc/92/00/10/606920010.db2.gz JXETWECDPDTTQR-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)ccc1F ZINC000821702891 606958007 /nfs/dbraw/zinc/95/80/07/606958007.db2.gz FSCJLPAYPUMLLJ-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)ccc1F ZINC000821702891 606958008 /nfs/dbraw/zinc/95/80/08/606958008.db2.gz FSCJLPAYPUMLLJ-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822403739 606958405 /nfs/dbraw/zinc/95/84/05/606958405.db2.gz SOZUXAJLISMIOW-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822403739 606958406 /nfs/dbraw/zinc/95/84/06/606958406.db2.gz SOZUXAJLISMIOW-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000819899358 606964888 /nfs/dbraw/zinc/96/48/88/606964888.db2.gz SQSYSYSFTOMXNA-SFHVURJKSA-N -1 3 385.418 3.591 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000819899358 606964890 /nfs/dbraw/zinc/96/48/90/606964890.db2.gz SQSYSYSFTOMXNA-SFHVURJKSA-N -1 3 385.418 3.591 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821883631 606965239 /nfs/dbraw/zinc/96/52/39/606965239.db2.gz YRYYHBVXFMVUGD-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821883631 606965241 /nfs/dbraw/zinc/96/52/41/606965241.db2.gz YRYYHBVXFMVUGD-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822263552 606992876 /nfs/dbraw/zinc/99/28/76/606992876.db2.gz SJRFKBMMBPBHHE-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822263552 606992877 /nfs/dbraw/zinc/99/28/77/606992877.db2.gz SJRFKBMMBPBHHE-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820554884 607009912 /nfs/dbraw/zinc/00/99/12/607009912.db2.gz ATWJOUKQAJEDSY-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820554884 607009914 /nfs/dbraw/zinc/00/99/14/607009914.db2.gz ATWJOUKQAJEDSY-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cc(F)ccc3-c3nnn[n-]3)n2)cc1 ZINC000822761929 607033626 /nfs/dbraw/zinc/03/36/26/607033626.db2.gz WFYSFTHDWFXRAJ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3cc(F)ccc3-c3nn[n-]n3)n2)cc1 ZINC000822761929 607033628 /nfs/dbraw/zinc/03/36/28/607033628.db2.gz WFYSFTHDWFXRAJ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)Nc1ccccc1 ZINC000821118093 607042754 /nfs/dbraw/zinc/04/27/54/607042754.db2.gz GZAUORSXZQFPMX-MRXNPFEDSA-N -1 3 379.468 3.518 20 0 GHADHM COC[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683953 607059123 /nfs/dbraw/zinc/05/91/23/607059123.db2.gz OGGRNPDHIXPGGS-INIZCTEOSA-N -1 3 395.360 3.502 20 0 GHADHM COC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683953 607059125 /nfs/dbraw/zinc/05/91/25/607059125.db2.gz OGGRNPDHIXPGGS-INIZCTEOSA-N -1 3 395.360 3.502 20 0 GHADHM Cc1cccc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822299286 607074505 /nfs/dbraw/zinc/07/45/05/607074505.db2.gz DJUIDSTTXMYYFQ-MRXNPFEDSA-N -1 3 386.406 3.509 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419929 607083101 /nfs/dbraw/zinc/08/31/01/607083101.db2.gz XJDIQSZZIXSWAQ-AWEZNQCLSA-N -1 3 386.415 3.550 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419929 607083103 /nfs/dbraw/zinc/08/31/03/607083103.db2.gz XJDIQSZZIXSWAQ-AWEZNQCLSA-N -1 3 386.415 3.550 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821393818 607095847 /nfs/dbraw/zinc/09/58/47/607095847.db2.gz BTMODKIZIOAUFR-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM CCOc1cc(Cl)ccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821393818 607095849 /nfs/dbraw/zinc/09/58/49/607095849.db2.gz BTMODKIZIOAUFR-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=S)Nc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822403843 607111196 /nfs/dbraw/zinc/11/11/96/607111196.db2.gz XABSALMRPJQCBE-UHFFFAOYSA-N -1 3 391.460 3.947 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=S)Nc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822403843 607111197 /nfs/dbraw/zinc/11/11/97/607111197.db2.gz XABSALMRPJQCBE-UHFFFAOYSA-N -1 3 391.460 3.947 20 0 GHADHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000820633819 607115180 /nfs/dbraw/zinc/11/51/80/607115180.db2.gz DSXDDVSNBBRZRU-GOSISDBHSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@@]1(c2ccccc2)CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000820636273 607116102 /nfs/dbraw/zinc/11/61/02/607116102.db2.gz RANSXNPBCJIKPC-SFHVURJKSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@@]1(c2ccccc2)CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000820636273 607116104 /nfs/dbraw/zinc/11/61/04/607116104.db2.gz RANSXNPBCJIKPC-SFHVURJKSA-N -1 3 389.381 3.638 20 0 GHADHM C[C@@H](c1cccc(Br)c1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562653 607120722 /nfs/dbraw/zinc/12/07/22/607120722.db2.gz IDCQSEFQUPVLRX-BSNNYGBQSA-N -1 3 391.294 3.639 20 0 GHADHM C[C@@H](c1cccc(Br)c1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562653 607120723 /nfs/dbraw/zinc/12/07/23/607120723.db2.gz IDCQSEFQUPVLRX-BSNNYGBQSA-N -1 3 391.294 3.639 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(Cl)cc1F ZINC000822176982 607125812 /nfs/dbraw/zinc/12/58/12/607125812.db2.gz QVJFALRQZGBMLI-UHFFFAOYSA-N -1 3 397.744 3.821 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(Cl)cc1F ZINC000822176982 607125813 /nfs/dbraw/zinc/12/58/13/607125813.db2.gz QVJFALRQZGBMLI-UHFFFAOYSA-N -1 3 397.744 3.821 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403523 607131927 /nfs/dbraw/zinc/13/19/27/607131927.db2.gz QQVZKFMHTQIIJB-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403523 607131929 /nfs/dbraw/zinc/13/19/29/607131929.db2.gz QQVZKFMHTQIIJB-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1c(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cccc1C(F)(F)F ZINC000822116202 607145854 /nfs/dbraw/zinc/14/58/54/607145854.db2.gz OCYXCFRIHHYFMQ-LLVKDONJSA-N -1 3 390.369 3.633 20 0 GHADHM Cc1c(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cccc1C(F)(F)F ZINC000822116202 607145855 /nfs/dbraw/zinc/14/58/55/607145855.db2.gz OCYXCFRIHHYFMQ-LLVKDONJSA-N -1 3 390.369 3.633 20 0 GHADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1 ZINC000820841792 607150144 /nfs/dbraw/zinc/15/01/44/607150144.db2.gz DRRRMXGKMWQWTI-LLVKDONJSA-N -1 3 395.488 3.898 20 0 GHADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1 ZINC000820841792 607150146 /nfs/dbraw/zinc/15/01/46/607150146.db2.gz DRRRMXGKMWQWTI-LLVKDONJSA-N -1 3 395.488 3.898 20 0 GHADHM Cc1ccccc1-c1nc(CSCc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000822344815 607150964 /nfs/dbraw/zinc/15/09/64/607150964.db2.gz AOKCPBPQCJNNLY-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1-c1nc(CSCc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000822344815 607150966 /nfs/dbraw/zinc/15/09/66/607150966.db2.gz AOKCPBPQCJNNLY-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CCc1oc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)cc1C ZINC000821558848 607154865 /nfs/dbraw/zinc/15/48/65/607154865.db2.gz HMPRVYHYGMJXQO-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1oc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)cc1C ZINC000821558848 607154867 /nfs/dbraw/zinc/15/48/67/607154867.db2.gz HMPRVYHYGMJXQO-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCCC1(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000821026799 607155170 /nfs/dbraw/zinc/15/51/70/607155170.db2.gz CJSMKFOJIXPAFI-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CCCC1(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000821026799 607155172 /nfs/dbraw/zinc/15/51/72/607155172.db2.gz CJSMKFOJIXPAFI-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822137938 607172902 /nfs/dbraw/zinc/17/29/02/607172902.db2.gz YISFNMWQKVSYIW-UHFFFAOYSA-N -1 3 382.811 3.766 20 0 GHADHM O=C(Nc1cccc(O)c1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823368377 607185585 /nfs/dbraw/zinc/18/55/85/607185585.db2.gz VQBZIDDCIZHLEZ-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Nc1cccc(O)c1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823368377 607185586 /nfs/dbraw/zinc/18/55/86/607185586.db2.gz VQBZIDDCIZHLEZ-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823112299 607191235 /nfs/dbraw/zinc/19/12/35/607191235.db2.gz WKXHQSCFVAEKIU-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823112299 607191236 /nfs/dbraw/zinc/19/12/36/607191236.db2.gz WKXHQSCFVAEKIU-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822234813 607196835 /nfs/dbraw/zinc/19/68/35/607196835.db2.gz IJDURCIURPZVPF-VIFPVBQESA-N -1 3 376.873 3.643 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822234813 607196836 /nfs/dbraw/zinc/19/68/36/607196836.db2.gz IJDURCIURPZVPF-VIFPVBQESA-N -1 3 376.873 3.643 20 0 GHADHM Cc1csc([C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)n1 ZINC000822408900 607197670 /nfs/dbraw/zinc/19/76/70/607197670.db2.gz IJGSWDFPXLOCLC-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1csc([C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)n1 ZINC000822408900 607197671 /nfs/dbraw/zinc/19/76/71/607197671.db2.gz IJGSWDFPXLOCLC-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM COc1ccc(CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000821795089 607200445 /nfs/dbraw/zinc/20/04/45/607200445.db2.gz TWTVXZYKFCVMOR-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1ccc(CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000821795089 607200446 /nfs/dbraw/zinc/20/04/46/607200446.db2.gz TWTVXZYKFCVMOR-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)Sc1ccccc1 ZINC000820269538 607203015 /nfs/dbraw/zinc/20/30/15/607203015.db2.gz MWFWNGOBJISOBT-NSHDSACASA-N -1 3 388.884 3.822 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)Sc1ccccc1 ZINC000820269538 607203016 /nfs/dbraw/zinc/20/30/16/607203016.db2.gz MWFWNGOBJISOBT-NSHDSACASA-N -1 3 388.884 3.822 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(F)c(Cl)c1 ZINC000821699590 607235782 /nfs/dbraw/zinc/23/57/82/607235782.db2.gz VVXFNGFEUHKIKW-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(F)c(Cl)c1 ZINC000821699590 607235783 /nfs/dbraw/zinc/23/57/83/607235783.db2.gz VVXFNGFEUHKIKW-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000822210749 607241613 /nfs/dbraw/zinc/24/16/13/607241613.db2.gz PMPGWLRJOITHTQ-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000822210749 607241614 /nfs/dbraw/zinc/24/16/14/607241614.db2.gz PMPGWLRJOITHTQ-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822974422 607245767 /nfs/dbraw/zinc/24/57/67/607245767.db2.gz LRBMLGDINWEWTJ-UHFFFAOYSA-N -1 3 377.379 3.539 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822974422 607245768 /nfs/dbraw/zinc/24/57/68/607245768.db2.gz LRBMLGDINWEWTJ-UHFFFAOYSA-N -1 3 377.379 3.539 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824914953 607782240 /nfs/dbraw/zinc/78/22/40/607782240.db2.gz AOMHXTHAKNYIFU-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824914953 607782241 /nfs/dbraw/zinc/78/22/41/607782241.db2.gz AOMHXTHAKNYIFU-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C(C1CC1)C1CC1 ZINC000826272141 607793992 /nfs/dbraw/zinc/79/39/92/607793992.db2.gz WDBASNCJILZASF-UHFFFAOYSA-N -1 3 390.447 3.737 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371044 607796682 /nfs/dbraw/zinc/79/66/82/607796682.db2.gz BALNBFBECWJDAJ-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371044 607796683 /nfs/dbraw/zinc/79/66/83/607796683.db2.gz BALNBFBECWJDAJ-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380859 607796892 /nfs/dbraw/zinc/79/68/92/607796892.db2.gz WAJLMTWQGMDMQT-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM CCN(C(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380859 607796893 /nfs/dbraw/zinc/79/68/93/607796893.db2.gz WAJLMTWQGMDMQT-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM CCN(C(=O)c1sc(-c2ccccc2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390513 607797696 /nfs/dbraw/zinc/79/76/96/607797696.db2.gz HWKNOFDGPQFPCU-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1sc(-c2ccccc2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390513 607797697 /nfs/dbraw/zinc/79/76/97/607797697.db2.gz HWKNOFDGPQFPCU-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1ccc(-c2cccs2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379556 607799340 /nfs/dbraw/zinc/79/93/40/607799340.db2.gz IMKAHRZTQHMJBT-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1ccc(-c2cccs2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379556 607799341 /nfs/dbraw/zinc/79/93/41/607799341.db2.gz IMKAHRZTQHMJBT-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385684 607800252 /nfs/dbraw/zinc/80/02/52/607800252.db2.gz QOBNDHRVNWGSOL-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385684 607800253 /nfs/dbraw/zinc/80/02/53/607800253.db2.gz QOBNDHRVNWGSOL-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCOC(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(C)C)c(C)s1 ZINC000825486092 607812804 /nfs/dbraw/zinc/81/28/04/607812804.db2.gz NFGHEYHSPNGWCG-XNTDXEJSSA-N -1 3 383.477 3.859 20 0 GHADHM CCOC(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)C)c(C)s1 ZINC000825486092 607812805 /nfs/dbraw/zinc/81/28/05/607812805.db2.gz NFGHEYHSPNGWCG-XNTDXEJSSA-N -1 3 383.477 3.859 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(c2ccccn2)CC1 ZINC000826267918 607820132 /nfs/dbraw/zinc/82/01/32/607820132.db2.gz BSXSOYKGWXELSM-UHFFFAOYSA-N -1 3 389.438 3.641 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(c2ccccn2)CC1 ZINC000826267918 607820133 /nfs/dbraw/zinc/82/01/33/607820133.db2.gz BSXSOYKGWXELSM-UHFFFAOYSA-N -1 3 389.438 3.641 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455695 607824730 /nfs/dbraw/zinc/82/47/30/607824730.db2.gz ZQLLQQPNMOWAKS-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455695 607824731 /nfs/dbraw/zinc/82/47/31/607824731.db2.gz ZQLLQQPNMOWAKS-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826307482 607843830 /nfs/dbraw/zinc/84/38/30/607843830.db2.gz KDHBHLNYQFWCOQ-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826307482 607843831 /nfs/dbraw/zinc/84/38/31/607843831.db2.gz KDHBHLNYQFWCOQ-GFCCVEGCSA-N -1 3 387.896 3.626 20 0 GHADHM CC1(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CCC1 ZINC000824836696 607855272 /nfs/dbraw/zinc/85/52/72/607855272.db2.gz BMIQDOVBVRAVKC-UHFFFAOYSA-N -1 3 383.839 3.985 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506394 607857679 /nfs/dbraw/zinc/85/76/79/607857679.db2.gz OBQSGVRVKWLLAO-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506394 607857680 /nfs/dbraw/zinc/85/76/80/607857680.db2.gz OBQSGVRVKWLLAO-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM Cc1c(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000826234344 607861227 /nfs/dbraw/zinc/86/12/27/607861227.db2.gz RQJCBASXKZMMTB-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1c(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cccc1-c1ccccn1 ZINC000826234344 607861228 /nfs/dbraw/zinc/86/12/28/607861228.db2.gz RQJCBASXKZMMTB-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM CCN(C(=O)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385997 607878229 /nfs/dbraw/zinc/87/82/29/607878229.db2.gz XVSTXXISLVOPCI-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385997 607878230 /nfs/dbraw/zinc/87/82/30/607878230.db2.gz XVSTXXISLVOPCI-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC000825833563 607918919 /nfs/dbraw/zinc/91/89/19/607918919.db2.gz IGFIGNQTICOUAD-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC000825833563 607918920 /nfs/dbraw/zinc/91/89/20/607918920.db2.gz IGFIGNQTICOUAD-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM CCc1c(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825686915 607923575 /nfs/dbraw/zinc/92/35/75/607923575.db2.gz BMPZWYQBUBGTFK-OAHLLOKOSA-N -1 3 395.511 3.505 20 0 GHADHM CCc1c(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825686915 607923576 /nfs/dbraw/zinc/92/35/76/607923576.db2.gz BMPZWYQBUBGTFK-OAHLLOKOSA-N -1 3 395.511 3.505 20 0 GHADHM O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399522 607948909 /nfs/dbraw/zinc/94/89/09/607948909.db2.gz YAUMOUHWXPDQIS-PMACEKPBSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399522 607948910 /nfs/dbraw/zinc/94/89/10/607948910.db2.gz YAUMOUHWXPDQIS-PMACEKPBSA-N -1 3 381.439 3.713 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826284908 607950213 /nfs/dbraw/zinc/95/02/13/607950213.db2.gz JTPUVASYWFZCPK-UXHICEINSA-N -1 3 392.459 3.571 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826284908 607950214 /nfs/dbraw/zinc/95/02/14/607950214.db2.gz JTPUVASYWFZCPK-UXHICEINSA-N -1 3 392.459 3.571 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)o2)cc1 ZINC000825700451 607954029 /nfs/dbraw/zinc/95/40/29/607954029.db2.gz GDWQFYABYLNCKJ-UHFFFAOYSA-N -1 3 385.427 3.892 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)o2)cc1 ZINC000825700451 607954030 /nfs/dbraw/zinc/95/40/30/607954030.db2.gz GDWQFYABYLNCKJ-UHFFFAOYSA-N -1 3 385.427 3.892 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1c(C)noc1C ZINC000825134010 607960148 /nfs/dbraw/zinc/96/01/48/607960148.db2.gz RAQUAXNCKZODGB-QGZVFWFLSA-N -1 3 397.483 3.543 20 0 GHADHM CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1c(C)noc1C ZINC000825134010 607960149 /nfs/dbraw/zinc/96/01/49/607960149.db2.gz RAQUAXNCKZODGB-QGZVFWFLSA-N -1 3 397.483 3.543 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520678 607969542 /nfs/dbraw/zinc/96/95/42/607969542.db2.gz BGPSYYCZSDOUJU-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520678 607969543 /nfs/dbraw/zinc/96/95/43/607969543.db2.gz BGPSYYCZSDOUJU-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC(C)C)c(OC)c1 ZINC000825782705 607975333 /nfs/dbraw/zinc/97/53/33/607975333.db2.gz MJTKLQPVPHVSAO-UHFFFAOYSA-N -1 3 378.436 3.699 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC(C)C)c(OC)c1 ZINC000825782705 607975334 /nfs/dbraw/zinc/97/53/34/607975334.db2.gz MJTKLQPVPHVSAO-UHFFFAOYSA-N -1 3 378.436 3.699 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000824808178 607976583 /nfs/dbraw/zinc/97/65/83/607976583.db2.gz QOEPIOLWCIVQEE-UHFFFAOYSA-N -1 3 393.495 3.749 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000824808178 607976584 /nfs/dbraw/zinc/97/65/84/607976584.db2.gz QOEPIOLWCIVQEE-UHFFFAOYSA-N -1 3 393.495 3.749 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385442 607978336 /nfs/dbraw/zinc/97/83/36/607978336.db2.gz GDTVKXOEAKRPHJ-GFCCVEGCSA-N -1 3 385.855 3.752 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385442 607978337 /nfs/dbraw/zinc/97/83/37/607978337.db2.gz GDTVKXOEAKRPHJ-GFCCVEGCSA-N -1 3 385.855 3.752 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)C3CCC(F)(F)CC3)c2-c2nnn[n-]2)C1 ZINC000824967438 607999963 /nfs/dbraw/zinc/99/99/63/607999963.db2.gz JZKHMEPREHDDAS-SECBINFHSA-N -1 3 381.452 3.817 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)C3CCC(F)(F)CC3)c2-c2nn[n-]n2)C1 ZINC000824967438 607999964 /nfs/dbraw/zinc/99/99/64/607999964.db2.gz JZKHMEPREHDDAS-SECBINFHSA-N -1 3 381.452 3.817 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2c([nH]c3ccccc32)C1 ZINC000826452794 608008155 /nfs/dbraw/zinc/00/81/55/608008155.db2.gz IZVZLLSLZXQSPZ-UHFFFAOYSA-N -1 3 393.838 3.592 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2c([nH]c3ccccc32)C1 ZINC000826452794 608008156 /nfs/dbraw/zinc/00/81/56/608008156.db2.gz IZVZLLSLZXQSPZ-UHFFFAOYSA-N -1 3 393.838 3.592 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347817 608008210 /nfs/dbraw/zinc/00/82/10/608008210.db2.gz ORPQMNBJRYBAAS-FQEVSTJZSA-N -1 3 390.491 3.766 20 0 GHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000824426216 608016761 /nfs/dbraw/zinc/01/67/61/608016761.db2.gz BWAKBOMNFYDNQE-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000824426216 608016762 /nfs/dbraw/zinc/01/67/62/608016762.db2.gz BWAKBOMNFYDNQE-NSHDSACASA-N -1 3 381.827 3.786 20 0 GHADHM CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824224774 608029521 /nfs/dbraw/zinc/02/95/21/608029521.db2.gz QUFKEEPEASMWGZ-INIZCTEOSA-N -1 3 383.402 3.763 20 0 GHADHM CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824224774 608029522 /nfs/dbraw/zinc/02/95/22/608029522.db2.gz QUFKEEPEASMWGZ-INIZCTEOSA-N -1 3 383.402 3.763 20 0 GHADHM Cc1c(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cccc1-c1nnn[n-]1 ZINC000826241077 608029811 /nfs/dbraw/zinc/02/98/11/608029811.db2.gz QIPMGOGVNOXCKB-UHFFFAOYSA-N -1 3 383.402 3.904 20 0 GHADHM Cc1c(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cccc1-c1nn[n-]n1 ZINC000826241077 608029812 /nfs/dbraw/zinc/02/98/12/608029812.db2.gz QIPMGOGVNOXCKB-UHFFFAOYSA-N -1 3 383.402 3.904 20 0 GHADHM CCN(Cc1nnc(-c2cc(C)oc2C)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444651 608031846 /nfs/dbraw/zinc/03/18/46/608031846.db2.gz PZVWVMDXPRYEPS-ZDUSSCGKSA-N -1 3 393.451 3.710 20 0 GHADHM Clc1ccc(Cl)c(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826352152 608070844 /nfs/dbraw/zinc/07/08/44/608070844.db2.gz POJAXTHGNFPTLK-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(Cl)c(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826352152 608070845 /nfs/dbraw/zinc/07/08/45/608070845.db2.gz POJAXTHGNFPTLK-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000824206980 608072132 /nfs/dbraw/zinc/07/21/32/608072132.db2.gz NCXNORCIOIMHLO-HNNXBMFYSA-N -1 3 391.353 3.835 20 0 GHADHM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000824206980 608072133 /nfs/dbraw/zinc/07/21/33/608072133.db2.gz NCXNORCIOIMHLO-HNNXBMFYSA-N -1 3 391.353 3.835 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000826473327 608072263 /nfs/dbraw/zinc/07/22/63/608072263.db2.gz TTWALCBOPXSCOG-BBRMVZONSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000826473327 608072264 /nfs/dbraw/zinc/07/22/64/608072264.db2.gz TTWALCBOPXSCOG-BBRMVZONSA-N -1 3 395.850 3.937 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)sc21 ZINC000826356386 608078271 /nfs/dbraw/zinc/07/82/71/608078271.db2.gz OJPBPJIKGIDAKX-UHFFFAOYSA-N -1 3 389.440 3.930 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)sc21 ZINC000826356386 608078272 /nfs/dbraw/zinc/07/82/72/608078272.db2.gz OJPBPJIKGIDAKX-UHFFFAOYSA-N -1 3 389.440 3.930 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1C1CC1 ZINC000825082035 608106278 /nfs/dbraw/zinc/10/62/78/608106278.db2.gz PDTCMDYHSTZNII-LBPRGKRZSA-N -1 3 380.456 3.864 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1C1CC1 ZINC000825082035 608106279 /nfs/dbraw/zinc/10/62/79/608106279.db2.gz PDTCMDYHSTZNII-LBPRGKRZSA-N -1 3 380.456 3.864 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C1CC1 ZINC000825083261 608106432 /nfs/dbraw/zinc/10/64/32/608106432.db2.gz ZAQANMYAIRWJRB-SNVBAGLBSA-N -1 3 384.419 3.695 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C1CC1 ZINC000825083261 608106433 /nfs/dbraw/zinc/10/64/33/608106433.db2.gz ZAQANMYAIRWJRB-SNVBAGLBSA-N -1 3 384.419 3.695 20 0 GHADHM CCSc1cccc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000825675145 608111620 /nfs/dbraw/zinc/11/16/20/608111620.db2.gz XJNKNIUUWWQXHD-UHFFFAOYSA-N -1 3 399.545 3.642 20 0 GHADHM CCSc1cccc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000825675145 608111621 /nfs/dbraw/zinc/11/16/21/608111621.db2.gz XJNKNIUUWWQXHD-UHFFFAOYSA-N -1 3 399.545 3.642 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1CC[C@@H](C2CC2)C1 ZINC000826474624 608121810 /nfs/dbraw/zinc/12/18/10/608121810.db2.gz YCECZFNFAGGRPP-OAHLLOKOSA-N -1 3 391.500 3.890 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1CC[C@@H](C2CC2)C1 ZINC000826474624 608121811 /nfs/dbraw/zinc/12/18/11/608121811.db2.gz YCECZFNFAGGRPP-OAHLLOKOSA-N -1 3 391.500 3.890 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825014513 608141046 /nfs/dbraw/zinc/14/10/46/608141046.db2.gz WQJRBTDVAQMPSJ-NSHDSACASA-N -1 3 385.880 3.909 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825014513 608141047 /nfs/dbraw/zinc/14/10/47/608141047.db2.gz WQJRBTDVAQMPSJ-NSHDSACASA-N -1 3 385.880 3.909 20 0 GHADHM CCN(C(=O)c1ncccc1C(F)(F)F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391425 608150395 /nfs/dbraw/zinc/15/03/95/608150395.db2.gz ZIQJRMYRGSQHRG-NSHDSACASA-N -1 3 390.369 3.504 20 0 GHADHM CCN(C(=O)c1ncccc1C(F)(F)F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391425 608150397 /nfs/dbraw/zinc/15/03/97/608150397.db2.gz ZIQJRMYRGSQHRG-NSHDSACASA-N -1 3 390.369 3.504 20 0 GHADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363312 608151594 /nfs/dbraw/zinc/15/15/94/608151594.db2.gz XOQDISOPDKSBDU-OLZOCXBDSA-N -1 3 385.418 3.858 20 0 GHADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363312 608151595 /nfs/dbraw/zinc/15/15/95/608151595.db2.gz XOQDISOPDKSBDU-OLZOCXBDSA-N -1 3 385.418 3.858 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000824347724 608156826 /nfs/dbraw/zinc/15/68/26/608156826.db2.gz LOYYCRVJXCEAHJ-ONEGZZNKSA-N -1 3 379.439 3.849 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000824347724 608156827 /nfs/dbraw/zinc/15/68/27/608156827.db2.gz LOYYCRVJXCEAHJ-ONEGZZNKSA-N -1 3 379.439 3.849 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234759 608182864 /nfs/dbraw/zinc/18/28/64/608182864.db2.gz MPLJVHOVMHVFLN-LBPRGKRZSA-N -1 3 393.447 3.576 20 0 GHADHM Cc1c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234759 608182866 /nfs/dbraw/zinc/18/28/66/608182866.db2.gz MPLJVHOVMHVFLN-LBPRGKRZSA-N -1 3 393.447 3.576 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC12CCC2 ZINC000824948687 608200155 /nfs/dbraw/zinc/20/01/55/608200155.db2.gz UWEPUBFAAGKVEK-SNVBAGLBSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC12CCC2 ZINC000824948687 608200157 /nfs/dbraw/zinc/20/01/57/608200157.db2.gz UWEPUBFAAGKVEK-SNVBAGLBSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824385054 608235600 /nfs/dbraw/zinc/23/56/00/608235600.db2.gz KOCIAEMXBZUQDY-UONOGXRCSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824385054 608235602 /nfs/dbraw/zinc/23/56/02/608235602.db2.gz KOCIAEMXBZUQDY-UONOGXRCSA-N -1 3 383.883 3.966 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367552 608236507 /nfs/dbraw/zinc/23/65/07/608236507.db2.gz SNCCILKYPHLVEV-NVWZYQMFSA-N -1 3 386.459 3.971 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367552 608236508 /nfs/dbraw/zinc/23/65/08/608236508.db2.gz SNCCILKYPHLVEV-NVWZYQMFSA-N -1 3 386.459 3.971 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(c2nc(C)ccc2-c2nnn[n-]2)C3)cs1 ZINC000826274795 608236670 /nfs/dbraw/zinc/23/66/70/608236670.db2.gz FJMKBBSHRNEHJK-UHFFFAOYSA-N -1 3 395.517 3.626 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(c2nc(C)ccc2-c2nn[n-]n2)C3)cs1 ZINC000826274795 608236672 /nfs/dbraw/zinc/23/66/72/608236672.db2.gz FJMKBBSHRNEHJK-UHFFFAOYSA-N -1 3 395.517 3.626 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000824148385 608270581 /nfs/dbraw/zinc/27/05/81/608270581.db2.gz SOVQFYUYQANOGW-INIZCTEOSA-N -1 3 394.479 3.570 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000824148385 608270582 /nfs/dbraw/zinc/27/05/82/608270582.db2.gz SOVQFYUYQANOGW-INIZCTEOSA-N -1 3 394.479 3.570 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826226129 608295800 /nfs/dbraw/zinc/29/58/00/608295800.db2.gz SNMJRBIQEIGVJN-GFCCVEGCSA-N -1 3 384.465 3.524 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274635 608297100 /nfs/dbraw/zinc/29/71/00/608297100.db2.gz XXBXSGTVVWUKGN-GFCCVEGCSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000826274635 608297102 /nfs/dbraw/zinc/29/71/02/608297102.db2.gz XXBXSGTVVWUKGN-GFCCVEGCSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000826274365 608298529 /nfs/dbraw/zinc/29/85/29/608298529.db2.gz OZHDNAMOYBXSPX-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000826274365 608298531 /nfs/dbraw/zinc/29/85/31/608298531.db2.gz OZHDNAMOYBXSPX-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc(Cl)nc1 ZINC000826441172 608306251 /nfs/dbraw/zinc/30/62/51/608306251.db2.gz RDSIAKCKDCNBHR-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc(Cl)nc1 ZINC000826441172 608306253 /nfs/dbraw/zinc/30/62/53/608306253.db2.gz RDSIAKCKDCNBHR-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM Cc1ccc2c(c1)CCN2C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826294628 608308811 /nfs/dbraw/zinc/30/88/11/608308811.db2.gz XLAPIQWQRGEYAO-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1ccc2c(c1)CCN2C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826294628 608308813 /nfs/dbraw/zinc/30/88/13/608308813.db2.gz XLAPIQWQRGEYAO-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825733602 608331234 /nfs/dbraw/zinc/33/12/34/608331234.db2.gz FOXPUMFENDGDJL-OAHLLOKOSA-N -1 3 398.470 3.982 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825733602 608331235 /nfs/dbraw/zinc/33/12/35/608331235.db2.gz FOXPUMFENDGDJL-OAHLLOKOSA-N -1 3 398.470 3.982 20 0 GHADHM CCN(C(=O)c1ccc2ncccc2c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385294 608342207 /nfs/dbraw/zinc/34/22/07/608342207.db2.gz BQECKDDFPCEQJD-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385294 608342209 /nfs/dbraw/zinc/34/22/09/608342209.db2.gz BQECKDDFPCEQJD-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366709 608344123 /nfs/dbraw/zinc/34/41/23/608344123.db2.gz FEYPLBVPWRHKPZ-UHFFFAOYSA-N -1 3 395.772 3.804 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366709 608344124 /nfs/dbraw/zinc/34/41/24/608344124.db2.gz FEYPLBVPWRHKPZ-UHFFFAOYSA-N -1 3 395.772 3.804 20 0 GHADHM CCN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380846 608347293 /nfs/dbraw/zinc/34/72/93/608347293.db2.gz VQNNPVGYBGTFDS-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM CCN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380846 608347295 /nfs/dbraw/zinc/34/72/95/608347295.db2.gz VQNNPVGYBGTFDS-UHFFFAOYSA-N -1 3 396.760 3.601 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C ZINC000824953295 608383414 /nfs/dbraw/zinc/38/34/14/608383414.db2.gz DRFNYFCSKHNKPF-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C ZINC000824953295 608383416 /nfs/dbraw/zinc/38/34/16/608383416.db2.gz DRFNYFCSKHNKPF-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824770819 608388506 /nfs/dbraw/zinc/38/85/06/608388506.db2.gz MVDOAWWFVBPJAM-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824770819 608388508 /nfs/dbraw/zinc/38/85/08/608388508.db2.gz MVDOAWWFVBPJAM-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM CSc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1C ZINC000826230878 608390775 /nfs/dbraw/zinc/39/07/75/608390775.db2.gz NJVDWEYRNBJJSG-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM CSc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1C ZINC000826230878 608390777 /nfs/dbraw/zinc/39/07/77/608390777.db2.gz NJVDWEYRNBJJSG-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM FC(F)(F)c1csc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826369297 608442236 /nfs/dbraw/zinc/44/22/36/608442236.db2.gz WOVLSZNTZNOVAU-UHFFFAOYSA-N -1 3 378.383 3.636 20 0 GHADHM FC(F)(F)c1csc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826369297 608442238 /nfs/dbraw/zinc/44/22/38/608442238.db2.gz WOVLSZNTZNOVAU-UHFFFAOYSA-N -1 3 378.383 3.636 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824178503 608447635 /nfs/dbraw/zinc/44/76/35/608447635.db2.gz VGTCLJJBJGEYGG-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824178503 608447637 /nfs/dbraw/zinc/44/76/37/608447637.db2.gz VGTCLJJBJGEYGG-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(OC)cc1 ZINC000825081427 608452958 /nfs/dbraw/zinc/45/29/58/608452958.db2.gz IWKRTEIFWDZEOY-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(OC)cc1 ZINC000825081427 608452959 /nfs/dbraw/zinc/45/29/59/608452959.db2.gz IWKRTEIFWDZEOY-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1OCc1ccccc1 ZINC000826231824 608472789 /nfs/dbraw/zinc/47/27/89/608472789.db2.gz CGWQVLAEENRXGY-MRXNPFEDSA-N -1 3 386.459 3.692 20 0 GHADHM O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826398517 608477323 /nfs/dbraw/zinc/47/73/23/608477323.db2.gz YMOFKDYRXXTJQB-VQTJNVASSA-N -1 3 377.492 3.699 20 0 GHADHM O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826398517 608477324 /nfs/dbraw/zinc/47/73/24/608477324.db2.gz YMOFKDYRXXTJQB-VQTJNVASSA-N -1 3 377.492 3.699 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405216 608479020 /nfs/dbraw/zinc/47/90/20/608479020.db2.gz YUFLDODMLGASJW-HXUWFJFHSA-N -1 3 385.471 3.603 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405216 608479022 /nfs/dbraw/zinc/47/90/22/608479022.db2.gz YUFLDODMLGASJW-HXUWFJFHSA-N -1 3 385.471 3.603 20 0 GHADHM CSc1ccccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826230751 608485117 /nfs/dbraw/zinc/48/51/17/608485117.db2.gz IRGDSOZMYDNYPH-UHFFFAOYSA-N -1 3 377.473 3.518 20 0 GHADHM CSc1ccccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826230751 608485118 /nfs/dbraw/zinc/48/51/18/608485118.db2.gz IRGDSOZMYDNYPH-UHFFFAOYSA-N -1 3 377.473 3.518 20 0 GHADHM Cc1ccc(-c2nc(CN[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)co2)cc1 ZINC000826273730 608516374 /nfs/dbraw/zinc/51/63/74/608516374.db2.gz RCCVJFPDMFAFBE-HXUWFJFHSA-N -1 3 386.459 3.997 20 0 GHADHM CCCn1c2ccccc2nc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825356684 608519077 /nfs/dbraw/zinc/51/90/77/608519077.db2.gz DVNYIHXNVJXMMC-UHFFFAOYSA-N -1 3 387.491 3.791 20 0 GHADHM CCCn1c2ccccc2nc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825356684 608519078 /nfs/dbraw/zinc/51/90/78/608519078.db2.gz DVNYIHXNVJXMMC-UHFFFAOYSA-N -1 3 387.491 3.791 20 0 GHADHM COc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1OC ZINC000826193430 608519093 /nfs/dbraw/zinc/51/90/93/608519093.db2.gz CTBXRRRSMKBTRM-UHFFFAOYSA-N -1 3 399.882 3.702 20 0 GHADHM c1ccc2nc(NC3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)ccc2c1 ZINC000826524502 608559495 /nfs/dbraw/zinc/55/94/95/608559495.db2.gz XPXHCINZMWEXED-UHFFFAOYSA-N -1 3 387.447 3.612 20 0 GHADHM c1ccc2nc(NC3CCC(Oc4ccc(-c5nn[n-]n5)cn4)CC3)ccc2c1 ZINC000826524502 608559496 /nfs/dbraw/zinc/55/94/96/608559496.db2.gz XPXHCINZMWEXED-UHFFFAOYSA-N -1 3 387.447 3.612 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3ccc(-c4nnn[n-]4)cc3)cn2)cc1 ZINC000826368477 608569653 /nfs/dbraw/zinc/56/96/53/608569653.db2.gz QROXWNCKRLMXGM-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC000826368477 608569654 /nfs/dbraw/zinc/56/96/54/608569654.db2.gz QROXWNCKRLMXGM-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc2cc(Cl)ccc2o1 ZINC000826459997 608572943 /nfs/dbraw/zinc/57/29/43/608572943.db2.gz JACIBCZBEQLLLD-UHFFFAOYSA-N -1 3 394.822 3.792 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc2cc(Cl)ccc2o1 ZINC000826459997 608572945 /nfs/dbraw/zinc/57/29/45/608572945.db2.gz JACIBCZBEQLLLD-UHFFFAOYSA-N -1 3 394.822 3.792 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000824280608 608599206 /nfs/dbraw/zinc/59/92/06/608599206.db2.gz QJJONLUYYZZRIX-UHFFFAOYSA-N -1 3 393.491 3.753 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000824280608 608599207 /nfs/dbraw/zinc/59/92/07/608599207.db2.gz QJJONLUYYZZRIX-UHFFFAOYSA-N -1 3 393.491 3.753 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C1CC1 ZINC000824285107 608670887 /nfs/dbraw/zinc/67/08/87/608670887.db2.gz XTKSMTVMFVLQPK-UHFFFAOYSA-N -1 3 385.859 3.502 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C1CC1 ZINC000824285107 608670889 /nfs/dbraw/zinc/67/08/89/608670889.db2.gz XTKSMTVMFVLQPK-UHFFFAOYSA-N -1 3 385.859 3.502 20 0 GHADHM Brc1cc(CN(Cc2ccc(-c3nnn[n-]3)s2)C2CC2)cs1 ZINC000823826465 608735025 /nfs/dbraw/zinc/73/50/25/608735025.db2.gz JOFMNBIBFFXKKT-UHFFFAOYSA-N -1 3 396.339 3.917 20 0 GHADHM Brc1cc(CN(Cc2ccc(-c3nn[n-]n3)s2)C2CC2)cs1 ZINC000823826465 608735026 /nfs/dbraw/zinc/73/50/26/608735026.db2.gz JOFMNBIBFFXKKT-UHFFFAOYSA-N -1 3 396.339 3.917 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000824513693 608763853 /nfs/dbraw/zinc/76/38/53/608763853.db2.gz FXFNOOHHNJRHCK-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000824513693 608763856 /nfs/dbraw/zinc/76/38/56/608763856.db2.gz FXFNOOHHNJRHCK-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM c1cc(-c2nc3ccccc3s2)oc1CNc1cnccc1-c1nnn[n-]1 ZINC000826524564 608770152 /nfs/dbraw/zinc/77/01/52/608770152.db2.gz ZODJGWSRYZPHPH-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1cc(-c2nc3ccccc3s2)oc1CNc1cnccc1-c1nn[n-]n1 ZINC000826524564 608770153 /nfs/dbraw/zinc/77/01/53/608770153.db2.gz ZODJGWSRYZPHPH-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM Fc1ccc([C@H]2CCCCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000826373875 608847962 /nfs/dbraw/zinc/84/79/62/608847962.db2.gz CLBPPZVHKMKWAY-GOSISDBHSA-N -1 3 395.417 3.520 20 0 GHADHM Fc1ccc([C@H]2CCCCN2Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000826373875 608847967 /nfs/dbraw/zinc/84/79/67/608847967.db2.gz CLBPPZVHKMKWAY-GOSISDBHSA-N -1 3 395.417 3.520 20 0 GHADHM Brc1ccc(-c2c[nH]c(CNc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823827195 608867602 /nfs/dbraw/zinc/86/76/02/608867602.db2.gz XCSFEHIROHAYAP-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM Brc1ccc(-c2c[nH]c(CNc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823827195 608867603 /nfs/dbraw/zinc/86/76/03/608867603.db2.gz XCSFEHIROHAYAP-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826334975 608872276 /nfs/dbraw/zinc/87/22/76/608872276.db2.gz RWJHZAIXJYGSOC-UHFFFAOYSA-N -1 3 379.855 3.685 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826334975 608872278 /nfs/dbraw/zinc/87/22/78/608872278.db2.gz RWJHZAIXJYGSOC-UHFFFAOYSA-N -1 3 379.855 3.685 20 0 GHADHM Cc1cnc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826318227 608883791 /nfs/dbraw/zinc/88/37/91/608883791.db2.gz ZMJKRZWIIUCGQU-AWEZNQCLSA-N -1 3 376.420 3.915 20 0 GHADHM Cc1cnc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826318227 608883792 /nfs/dbraw/zinc/88/37/92/608883792.db2.gz ZMJKRZWIIUCGQU-AWEZNQCLSA-N -1 3 376.420 3.915 20 0 GHADHM CC(C)C(=O)Nc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000824185383 609164142 /nfs/dbraw/zinc/16/41/42/609164142.db2.gz YAZTYEDNGVIOKE-IBGZPJMESA-N -1 3 376.464 3.951 20 0 GHADHM CC(C)C(=O)Nc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000824185383 609164144 /nfs/dbraw/zinc/16/41/44/609164144.db2.gz YAZTYEDNGVIOKE-IBGZPJMESA-N -1 3 376.464 3.951 20 0 GHADHM C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656827 609164605 /nfs/dbraw/zinc/16/46/05/609164605.db2.gz NIBZUSSETZGJEU-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656827 609164606 /nfs/dbraw/zinc/16/46/06/609164606.db2.gz NIBZUSSETZGJEU-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM CSc1ccccc1CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826230961 609165083 /nfs/dbraw/zinc/16/50/83/609165083.db2.gz QQTMIRSROCNGMP-UHFFFAOYSA-N -1 3 395.532 3.816 20 0 GHADHM CSc1ccccc1CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826230961 609165084 /nfs/dbraw/zinc/16/50/84/609165084.db2.gz QQTMIRSROCNGMP-UHFFFAOYSA-N -1 3 395.532 3.816 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000826234277 609166482 /nfs/dbraw/zinc/16/64/82/609166482.db2.gz OPLFKDKMTUOCFH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000826234277 609166483 /nfs/dbraw/zinc/16/64/83/609166483.db2.gz OPLFKDKMTUOCFH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Fc1ccc2ccnc(NCc3nc(-c4cccc(-c5nnn[n-]5)c4)c[nH]3)c2c1 ZINC000826375860 609166693 /nfs/dbraw/zinc/16/66/93/609166693.db2.gz FBBZPDFXMDBVQM-UHFFFAOYSA-N -1 3 386.394 3.556 20 0 GHADHM Fc1ccc2ccnc(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)c2c1 ZINC000826375860 609166696 /nfs/dbraw/zinc/16/66/96/609166696.db2.gz FBBZPDFXMDBVQM-UHFFFAOYSA-N -1 3 386.394 3.556 20 0 GHADHM CC(C)C[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245178 609170776 /nfs/dbraw/zinc/17/07/76/609170776.db2.gz WMHMEGUWSJDCBC-STQMWFEESA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)C[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245178 609170777 /nfs/dbraw/zinc/17/07/77/609170777.db2.gz WMHMEGUWSJDCBC-STQMWFEESA-N -1 3 388.422 3.699 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cccc2nccn21 ZINC000826455482 609176495 /nfs/dbraw/zinc/17/64/95/609176495.db2.gz PWNLJCARUJGWTN-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1cccc2nccn21 ZINC000826455482 609176497 /nfs/dbraw/zinc/17/64/97/609176497.db2.gz PWNLJCARUJGWTN-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccc(CC)cc2)no1 ZINC000825480796 609179142 /nfs/dbraw/zinc/17/91/42/609179142.db2.gz LIDPSHMBGZXSNQ-UHFFFAOYSA-N -1 3 390.451 3.523 20 0 GHADHM O=C(Nc1ccccc1Nc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826457505 609260689 /nfs/dbraw/zinc/26/06/89/609260689.db2.gz DYWUITMILLVLFF-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM O=C(Nc1ccccc1Nc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826457505 609260690 /nfs/dbraw/zinc/26/06/90/609260690.db2.gz DYWUITMILLVLFF-UHFFFAOYSA-N -1 3 391.822 3.911 20 0 GHADHM Brc1ccc2nc(NCc3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000823832934 609264184 /nfs/dbraw/zinc/26/41/84/609264184.db2.gz ZLPJKDACWUQJBE-UHFFFAOYSA-N -1 3 393.295 3.913 20 0 GHADHM Brc1ccc2nc(NCc3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000823832934 609264183 /nfs/dbraw/zinc/26/41/83/609264183.db2.gz ZLPJKDACWUQJBE-UHFFFAOYSA-N -1 3 393.295 3.913 20 0 GHADHM CC(C)c1nnc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)o1 ZINC000824365068 609265653 /nfs/dbraw/zinc/26/56/53/609265653.db2.gz ZMKMSNXCOPMNMA-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)c1nnc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)o1 ZINC000824365068 609265654 /nfs/dbraw/zinc/26/56/54/609265654.db2.gz ZMKMSNXCOPMNMA-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1C(=O)N1CCCC1 ZINC000826242548 609276778 /nfs/dbraw/zinc/27/67/78/609276778.db2.gz TZKABVANDTUOGG-HNNXBMFYSA-N -1 3 376.464 3.584 20 0 GHADHM Cc1c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1C(=O)N1CCCC1 ZINC000826242548 609276779 /nfs/dbraw/zinc/27/67/79/609276779.db2.gz TZKABVANDTUOGG-HNNXBMFYSA-N -1 3 376.464 3.584 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824649924 609277814 /nfs/dbraw/zinc/27/78/14/609277814.db2.gz OIIXZJLIINUDEH-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824649924 609277816 /nfs/dbraw/zinc/27/78/16/609277816.db2.gz OIIXZJLIINUDEH-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1nnc(SCCOc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337021 609308925 /nfs/dbraw/zinc/30/89/25/609308925.db2.gz YQDFCEUAMKAOBJ-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM Cc1nnc(SCCOc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000826337021 609308926 /nfs/dbraw/zinc/30/89/26/609308926.db2.gz YQDFCEUAMKAOBJ-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM CC(C)c1cnc(SCc2ccc(-c3nnn[n-]3)cc2Br)n1C ZINC000824352413 609310713 /nfs/dbraw/zinc/31/07/13/609310713.db2.gz CPNIKQXUWMKILX-UHFFFAOYSA-N -1 3 393.314 3.778 20 0 GHADHM CC(C)c1cnc(SCc2ccc(-c3nn[n-]n3)cc2Br)n1C ZINC000824352413 609310716 /nfs/dbraw/zinc/31/07/16/609310716.db2.gz CPNIKQXUWMKILX-UHFFFAOYSA-N -1 3 393.314 3.778 20 0 GHADHM O=C(Nc1ncccc1Cl)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826460405 609335085 /nfs/dbraw/zinc/33/50/85/609335085.db2.gz BFIVPPZRGGCBJX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ncccc1Cl)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826460405 609335087 /nfs/dbraw/zinc/33/50/87/609335087.db2.gz BFIVPPZRGGCBJX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC[C@H](CSC)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825127883 609335682 /nfs/dbraw/zinc/33/56/82/609335682.db2.gz PEFMGILQUGDHSM-CYBMUJFWSA-N -1 3 383.477 3.530 20 0 GHADHM CC[C@H](CSC)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825127883 609335684 /nfs/dbraw/zinc/33/56/84/609335684.db2.gz PEFMGILQUGDHSM-CYBMUJFWSA-N -1 3 383.477 3.530 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826180112 609336243 /nfs/dbraw/zinc/33/62/43/609336243.db2.gz SMBCLIYRQNXKCI-GHMZBOCLSA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826180112 609336244 /nfs/dbraw/zinc/33/62/44/609336244.db2.gz SMBCLIYRQNXKCI-GHMZBOCLSA-N -1 3 389.406 3.574 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273637 609374319 /nfs/dbraw/zinc/37/43/19/609374319.db2.gz NNWUXJRCAZEDHJ-UHFFFAOYSA-N -1 3 379.445 3.769 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273637 609374321 /nfs/dbraw/zinc/37/43/21/609374321.db2.gz NNWUXJRCAZEDHJ-UHFFFAOYSA-N -1 3 379.445 3.769 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825107417 609383223 /nfs/dbraw/zinc/38/32/23/609383223.db2.gz NTCXTQMMWWKNNT-CZUORRHYSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825107417 609383225 /nfs/dbraw/zinc/38/32/25/609383225.db2.gz NTCXTQMMWWKNNT-CZUORRHYSA-N -1 3 392.891 3.625 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)ccc1O ZINC000826270879 609391389 /nfs/dbraw/zinc/39/13/89/609391389.db2.gz SCJZKEJYAHVADO-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)ccc1O ZINC000826270879 609391391 /nfs/dbraw/zinc/39/13/91/609391391.db2.gz SCJZKEJYAHVADO-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826426651 609401905 /nfs/dbraw/zinc/40/19/05/609401905.db2.gz SKRHWMSOAYHFHO-INIZCTEOSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826426651 609401908 /nfs/dbraw/zinc/40/19/08/609401908.db2.gz SKRHWMSOAYHFHO-INIZCTEOSA-N -1 3 382.855 3.576 20 0 GHADHM CC(C)CNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266441 609442518 /nfs/dbraw/zinc/44/25/18/609442518.db2.gz LQHIYSYRGHQILF-AWEZNQCLSA-N -1 3 380.521 3.715 20 0 GHADHM CC(C)CNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266441 609442520 /nfs/dbraw/zinc/44/25/20/609442520.db2.gz LQHIYSYRGHQILF-AWEZNQCLSA-N -1 3 380.521 3.715 20 0 GHADHM Cc1cc(C)n(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3F)cc2F)n1 ZINC000826265356 609476320 /nfs/dbraw/zinc/47/63/20/609476320.db2.gz WDIGVCCZPPEKCV-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM Cc1cc(C)n(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3F)cc2F)n1 ZINC000826265356 609476322 /nfs/dbraw/zinc/47/63/22/609476322.db2.gz WDIGVCCZPPEKCV-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cnc([C@@H]2CCCO2)s1 ZINC000824324994 609478757 /nfs/dbraw/zinc/47/87/57/609478757.db2.gz XUUNNYRBRVICKM-INIZCTEOSA-N -1 3 386.481 3.574 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnc([C@@H]2CCCO2)s1 ZINC000824324994 609478759 /nfs/dbraw/zinc/47/87/59/609478759.db2.gz XUUNNYRBRVICKM-INIZCTEOSA-N -1 3 386.481 3.574 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(OC(C)C)c(F)c1 ZINC000826184387 609481600 /nfs/dbraw/zinc/48/16/00/609481600.db2.gz VGPVAEGCPFJDAW-UHFFFAOYSA-N -1 3 375.379 3.553 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(OC(C)C)c(F)c1 ZINC000826184387 609481601 /nfs/dbraw/zinc/48/16/01/609481601.db2.gz VGPVAEGCPFJDAW-UHFFFAOYSA-N -1 3 375.379 3.553 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(C)CCC(F)(F)CC1 ZINC000824831389 609491540 /nfs/dbraw/zinc/49/15/40/609491540.db2.gz NMJUVLCTCCWVSY-UHFFFAOYSA-N -1 3 381.431 3.513 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(C)CCC(F)(F)CC1 ZINC000824831389 609491544 /nfs/dbraw/zinc/49/15/44/609491544.db2.gz NMJUVLCTCCWVSY-UHFFFAOYSA-N -1 3 381.431 3.513 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000826420168 609491679 /nfs/dbraw/zinc/49/16/79/609491679.db2.gz BGZRIMYEQIXFEE-UHFFFAOYSA-N -1 3 378.379 3.789 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000826420168 609491683 /nfs/dbraw/zinc/49/16/83/609491683.db2.gz BGZRIMYEQIXFEE-UHFFFAOYSA-N -1 3 378.379 3.789 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000503054563 609505605 /nfs/dbraw/zinc/50/56/05/609505605.db2.gz CCOIOCWBOSZGSX-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000503054563 609505606 /nfs/dbraw/zinc/50/56/06/609505606.db2.gz CCOIOCWBOSZGSX-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cnn1-c1ccccc1 ZINC000825348368 609507119 /nfs/dbraw/zinc/50/71/19/609507119.db2.gz HQDZMRXCRNXZPH-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cnn1-c1ccccc1 ZINC000825348368 609507121 /nfs/dbraw/zinc/50/71/21/609507121.db2.gz HQDZMRXCRNXZPH-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)cn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824520906 609510990 /nfs/dbraw/zinc/51/09/90/609510990.db2.gz FUHGWBXPKPYLIZ-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)cn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824520906 609510992 /nfs/dbraw/zinc/51/09/92/609510992.db2.gz FUHGWBXPKPYLIZ-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825254532 609525150 /nfs/dbraw/zinc/52/51/50/609525150.db2.gz TXGIXOWTUTYLJY-HZPDHXFCSA-N -1 3 395.463 3.588 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825254532 609525153 /nfs/dbraw/zinc/52/51/53/609525153.db2.gz TXGIXOWTUTYLJY-HZPDHXFCSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1cnc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826317122 609526070 /nfs/dbraw/zinc/52/60/70/609526070.db2.gz NUALWZUTFRPZNM-UHFFFAOYSA-N -1 3 384.443 3.726 20 0 GHADHM Cc1cnc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826317122 609526072 /nfs/dbraw/zinc/52/60/72/609526072.db2.gz NUALWZUTFRPZNM-UHFFFAOYSA-N -1 3 384.443 3.726 20 0 GHADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825076944 609533901 /nfs/dbraw/zinc/53/39/01/609533901.db2.gz ZDTATFJXVWEQEC-NSHDSACASA-N -1 3 392.868 3.801 20 0 GHADHM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825076944 609533903 /nfs/dbraw/zinc/53/39/03/609533903.db2.gz ZDTATFJXVWEQEC-NSHDSACASA-N -1 3 392.868 3.801 20 0 GHADHM Clc1ccccc1-c1csc(NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000826353096 609540281 /nfs/dbraw/zinc/54/02/81/609540281.db2.gz BBJOLKABFZERIV-UHFFFAOYSA-N -1 3 398.883 3.563 20 0 GHADHM Clc1ccccc1-c1csc(NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000826353096 609540283 /nfs/dbraw/zinc/54/02/83/609540283.db2.gz BBJOLKABFZERIV-UHFFFAOYSA-N -1 3 398.883 3.563 20 0 GHADHM CCc1csc([C@H]2CCCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)n1 ZINC000825739938 609543997 /nfs/dbraw/zinc/54/39/97/609543997.db2.gz LEJIHALBNCWXPG-NSHDSACASA-N -1 3 389.916 3.626 20 0 GHADHM CCc1csc([C@H]2CCCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)n1 ZINC000825739938 609543999 /nfs/dbraw/zinc/54/39/99/609543999.db2.gz LEJIHALBNCWXPG-NSHDSACASA-N -1 3 389.916 3.626 20 0 GHADHM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825830225 609593155 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3.677 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccn(Cc4ccccc4)n3)nc2)n1 ZINC000376461765 837400155 /nfs/dbraw/zinc/40/01/55/837400155.db2.gz NJLUKXXCIBRUCW-UHFFFAOYSA-N -1 3 386.459 3.664 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000176539315 837425177 /nfs/dbraw/zinc/42/51/77/837425177.db2.gz SYJFIYPNWPUHQS-SFHVURJKSA-N -1 3 382.460 3.813 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)nc2)n1 ZINC000376480976 837515571 /nfs/dbraw/zinc/51/55/71/837515571.db2.gz TZKIEMQOSYEQDY-SUMWQHHRSA-N -1 3 379.291 3.827 20 0 GHADHM C[C@H](C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000163153369 837518290 /nfs/dbraw/zinc/51/82/90/837518290.db2.gz DHTXPWAGRAUYMQ-INIZCTEOSA-N -1 3 395.484 3.734 20 0 GHADHM C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CCCC1 ZINC000172231314 837523016 /nfs/dbraw/zinc/52/30/16/837523016.db2.gz OOLPJDGXTTWIRL-ZDUSSCGKSA-N -1 3 393.915 3.984 20 0 GHADHM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 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YZCOWVIFSXRJJH-MRXNPFEDSA-N -1 3 382.464 3.598 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000583449546 834399037 /nfs/dbraw/zinc/39/90/37/834399037.db2.gz OINTXROYGJMJKO-OAHLLOKOSA-N -1 3 375.881 3.643 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000583480265 834463368 /nfs/dbraw/zinc/46/33/68/834463368.db2.gz DPAXEILPDPAXMZ-HUUCEWRRSA-N -1 3 377.448 3.550 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000583480263 834463660 /nfs/dbraw/zinc/46/36/60/834463660.db2.gz DPAXEILPDPAXMZ-CABCVRRESA-N -1 3 377.448 3.550 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1C(C)C ZINC000278772765 834677382 /nfs/dbraw/zinc/67/73/82/834677382.db2.gz SWMJVKFXTJXKCX-UHFFFAOYSA-N -1 3 396.896 3.680 20 0 GHADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cccc(Cl)c1Br ZINC000683142259 834681418 /nfs/dbraw/zinc/68/14/18/834681418.db2.gz CXRWASFTCQCBBA-NSHDSACASA-N -1 3 386.698 3.721 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccncc1 ZINC000683144112 834700298 /nfs/dbraw/zinc/70/02/98/834700298.db2.gz VLPMPECANKYDCZ-JTQLQIEISA-N -1 3 389.702 3.580 20 0 GHADHM COc1cc(C(=O)NCC2(CCOCc3ccccc3)CC2)cc(OC)c1[O-] ZINC000274698680 834753192 /nfs/dbraw/zinc/75/31/92/834753192.db2.gz NEUPTKXIMSVLNV-UHFFFAOYSA-N -1 3 385.460 3.526 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@](O)(C(F)(F)F)CC2)c1C ZINC000583633673 834778727 /nfs/dbraw/zinc/77/87/27/834778727.db2.gz QZAMZBJBWRBXMH-GOSISDBHSA-N -1 3 382.382 3.834 20 0 GHADHM CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCCC1 ZINC000150175444 834862557 /nfs/dbraw/zinc/86/25/57/834862557.db2.gz KFKFJVMARSKOEL-UHFFFAOYSA-N -1 3 376.453 3.689 20 0 GHADHM Cc1nc2ccc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2s1 ZINC000511274814 834943052 /nfs/dbraw/zinc/94/30/52/834943052.db2.gz BXGJIFJNXAQJDD-UHFFFAOYSA-N -1 3 387.262 3.689 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2cc(Br)c(Cl)cc21 ZINC000655020781 834977584 /nfs/dbraw/zinc/97/75/84/834977584.db2.gz MLOXYFHAQPCJTI-UHFFFAOYSA-N -1 3 394.656 3.678 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(NC([O-])=NO[C@H]3CCCCO3)ccc21 ZINC000274754909 835012320 /nfs/dbraw/zinc/01/23/20/835012320.db2.gz BZBVYOBIOJYNDV-KRWDZBQOSA-N -1 3 391.468 3.954 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[N-]O[C@H]3CCCCO3)ccc21 ZINC000274754909 835012329 /nfs/dbraw/zinc/01/23/29/835012329.db2.gz BZBVYOBIOJYNDV-KRWDZBQOSA-N -1 3 391.468 3.954 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000583787615 835035529 /nfs/dbraw/zinc/03/55/29/835035529.db2.gz PDPJWDMNUUPLFR-OAHLLOKOSA-N -1 3 386.839 3.806 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(-n2ccnc2)c1 ZINC000472338091 835113177 /nfs/dbraw/zinc/11/31/77/835113177.db2.gz RAOUXVTWEDKOPV-UHFFFAOYSA-N -1 3 385.420 3.545 20 0 GHADHM CC(C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000117298118 835210162 /nfs/dbraw/zinc/21/01/62/835210162.db2.gz DUAPYLCAHCMQJH-GOSISDBHSA-N -1 3 393.484 3.605 20 0 GHADHM 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O=C(NCc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000023723203 835896050 /nfs/dbraw/zinc/89/60/50/835896050.db2.gz ZYWPMUBZIDAWTR-UHFFFAOYSA-N -1 3 390.461 3.618 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)cc1C(F)(F)F ZINC000246027359 835901609 /nfs/dbraw/zinc/90/16/09/835901609.db2.gz PAGZDSJWNAJMOA-CYZMBNFOSA-N -1 3 383.819 3.595 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCOc2cccc(Br)c2)c1[O-] ZINC000584372798 835933507 /nfs/dbraw/zinc/93/35/07/835933507.db2.gz KOCGVBIPFPPUHH-UHFFFAOYSA-N -1 3 378.222 3.765 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC1(C)CC1 ZINC000473273158 844127383 /nfs/dbraw/zinc/12/73/83/844127383.db2.gz WXWFIVIWSKGWOC-UHFFFAOYSA-N -1 3 390.480 3.855 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c(C)c1 ZINC000047454448 836218652 /nfs/dbraw/zinc/21/86/52/836218652.db2.gz NGPRAZZIUCVSDS-SFHVURJKSA-N -1 3 391.489 3.671 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)/C=C/c2cc(C)c(C)cc2C)o1 ZINC000065124670 844145844 /nfs/dbraw/zinc/14/58/44/844145844.db2.gz YILOHFAQKPBDTD-DHZHZOJOSA-N -1 3 383.492 3.521 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)n1 ZINC000471261132 836452190 /nfs/dbraw/zinc/45/21/90/836452190.db2.gz RMMXAKCRFOJVRN-UHFFFAOYSA-N -1 3 388.471 3.988 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000174608749 836490081 /nfs/dbraw/zinc/49/00/81/836490081.db2.gz JHLZWBFNDZILDV-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000174612359 836491948 /nfs/dbraw/zinc/49/19/48/836491948.db2.gz JBPPHMNANWULRE-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(F)cc1Br ZINC000584491330 836503302 /nfs/dbraw/zinc/50/33/02/836503302.db2.gz GZLCVSOXUWYJAR-UHFFFAOYSA-N -1 3 386.242 3.728 20 0 GHADHM COc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1OC(C)C ZINC000612643888 836534500 /nfs/dbraw/zinc/53/45/00/836534500.db2.gz VMHCPHROGJUGPP-UHFFFAOYSA-N -1 3 394.265 3.881 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1cccc2ncccc21 ZINC000175300768 836749260 /nfs/dbraw/zinc/74/92/60/836749260.db2.gz NQJGEVZZQGOPOI-UHFFFAOYSA-N -1 3 383.333 3.794 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2csc(C3CCCC3)n2)[n-]1 ZINC000155326544 836813858 /nfs/dbraw/zinc/81/38/58/836813858.db2.gz BOISKFDJKGNSCP-RUZDIDTESA-N -1 3 391.440 3.764 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000430366307 836817940 /nfs/dbraw/zinc/81/79/40/836817940.db2.gz IEGSXSXQXXXTLI-INIZCTEOSA-N -1 3 392.496 3.637 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000612832072 836834117 /nfs/dbraw/zinc/83/41/17/836834117.db2.gz NEHVKGDCHVJUGA-UHFFFAOYSA-N -1 3 387.501 3.740 20 0 GHADHM O=S(=O)([N-]Cc1csc(Br)c1)c1cc(F)ccc1Cl ZINC000398173024 836852216 /nfs/dbraw/zinc/85/22/16/836852216.db2.gz IIAQMAMGOGTMPL-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1c(F)cccc1Cl ZINC000175861185 837036357 /nfs/dbraw/zinc/03/63/57/837036357.db2.gz MEDVCEYCWKLWIT-BLLLJJGKSA-N -1 3 390.842 3.667 20 0 GHADHM CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000110096567 844230339 /nfs/dbraw/zinc/23/03/39/844230339.db2.gz UABWMAAXWBLTAQ-SECBINFHSA-N -1 3 375.313 3.649 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048016179 844249731 /nfs/dbraw/zinc/24/97/31/844249731.db2.gz HAJFYMIPDVOKSK-OAHLLOKOSA-N -1 3 394.349 3.534 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1Cl ZINC000328662566 837268106 /nfs/dbraw/zinc/26/81/06/837268106.db2.gz AUCZDYINQLQSIN-KMUNFCNLSA-N -1 3 376.305 3.538 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)s1 ZINC001266497778 837310224 /nfs/dbraw/zinc/31/02/24/837310224.db2.gz SXQKEXUGFRATSC-UHFFFAOYSA-N -1 3 385.323 3.732 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000186673808 837362992 /nfs/dbraw/zinc/36/29/92/837362992.db2.gz DEUPFLFFJFEHQX-QMMMGPOBSA-N -1 3 384.832 3.897 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3sccc3c2)cc1OC ZINC000471375446 837379610 /nfs/dbraw/zinc/37/96/10/837379610.db2.gz FKSYASUNUQJMGO-UHFFFAOYSA-N -1 3 390.486 3.924 20 0 GHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)OC(C)C ZINC000472617915 837925838 /nfs/dbraw/zinc/92/58/38/837925838.db2.gz AHWQJJIKGMGJDZ-CQSZACIVSA-N -1 3 389.926 3.855 20 0 GHADHM O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1cc([O-])ccc1Cl ZINC000377783336 837961752 /nfs/dbraw/zinc/96/17/52/837961752.db2.gz TUOJNCKHNQICIT-UHFFFAOYSA-N -1 3 378.819 3.710 20 0 GHADHM CCc1noc(-c2ccc(CCNC(=O)c3cc(SC)ccc3[O-])cc2)n1 ZINC001143378749 838003191 /nfs/dbraw/zinc/00/31/91/838003191.db2.gz MNIBXQHMYCZPMN-UHFFFAOYSA-N -1 3 383.473 3.699 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000303747481 838016305 /nfs/dbraw/zinc/01/63/05/838016305.db2.gz DKFKFDZNZLHQMT-GFCCVEGCSA-N -1 3 375.302 3.904 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683623117 838041319 /nfs/dbraw/zinc/04/13/19/838041319.db2.gz AKHVGZRDMNBLBN-AWEZNQCLSA-N -1 3 376.859 3.921 20 0 GHADHM O=C(Nc1ccncc1[O-])c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000109889858 838157030 /nfs/dbraw/zinc/15/70/30/838157030.db2.gz OOAXMUBKKDBODM-UHFFFAOYSA-N -1 3 376.441 3.980 20 0 GHADHM COc1cccc(-c2nc(C(=O)[N-]c3ccc(Br)cc3F)no2)c1 ZINC000471457823 838221427 /nfs/dbraw/zinc/22/14/27/838221427.db2.gz BRCUSRWJUHYZHY-UHFFFAOYSA-N -1 3 392.184 3.899 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cccc2c1OCO2 ZINC000579983474 838260919 /nfs/dbraw/zinc/26/09/19/838260919.db2.gz VZHZLZMDKLZFOM-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000623020711 838352714 /nfs/dbraw/zinc/35/27/14/838352714.db2.gz RZPDHVPLYRQHOE-CYBMUJFWSA-N -1 3 399.390 3.587 20 0 GHADHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000510309984 838382570 /nfs/dbraw/zinc/38/25/70/838382570.db2.gz XNDYFYAYZVERLK-CQSZACIVSA-N -1 3 398.750 3.568 20 0 GHADHM COc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1NC(=O)C1CCCCC1 ZINC000188031274 838402875 /nfs/dbraw/zinc/40/28/75/838402875.db2.gz RHSQNHHWSNCXIW-UHFFFAOYSA-N -1 3 393.447 3.738 20 0 GHADHM [O-]C(=Cc1nc(-c2cccc(N3CCOCC3)c2)no1)c1ccccc1Cl ZINC001211647240 838550923 /nfs/dbraw/zinc/55/09/23/838550923.db2.gz JYDPYXBPPQFGKI-UHFFFAOYSA-N -1 3 383.835 3.652 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(O)c1 ZINC000181765110 838636307 /nfs/dbraw/zinc/63/63/07/838636307.db2.gz BCJPCNJFZAPJRC-HXUWFJFHSA-N -1 3 376.412 3.598 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Br)N1CCC([C@@H]2CCCCO2)CC1 ZINC000659790058 838670486 /nfs/dbraw/zinc/67/04/86/838670486.db2.gz SCOCWMCKZBMKIN-IRXDYDNUSA-N -1 3 382.298 3.856 20 0 GHADHM Cc1ccccc1-c1noc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000659796790 838679564 /nfs/dbraw/zinc/67/95/64/838679564.db2.gz BJMKVNDFZWWATK-MSOLQXFVSA-N -1 3 397.862 3.999 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1 ZINC000182789438 838825572 /nfs/dbraw/zinc/82/55/72/838825572.db2.gz GOPFMTPDSSDECJ-CQSZACIVSA-N -1 3 393.443 3.783 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1ccccc1 ZINC000182874302 838837067 /nfs/dbraw/zinc/83/70/67/838837067.db2.gz SZCFLIFRGWJLHR-QFIPXVFZSA-N -1 3 388.467 3.612 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CCC2)C1 ZINC000580106977 838881737 /nfs/dbraw/zinc/88/17/37/838881737.db2.gz FIBWIMXQWDQHJE-OAQYLSRUSA-N -1 3 378.472 3.512 20 0 GHADHM COC[C@H](C)S(=O)(=O)[N-]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000513086302 844377183 /nfs/dbraw/zinc/37/71/83/844377183.db2.gz PTSGUUQOIVPIIO-HNNXBMFYSA-N -1 3 399.557 3.621 20 0 GHADHM O=C(CCc1cc(Cl)ccc1Br)N1CCCc2c(=O)[n-]cnc21 ZINC000893213506 838924779 /nfs/dbraw/zinc/92/47/79/838924779.db2.gz ZAQYIFJZBZPLLV-UHFFFAOYSA-N -1 3 396.672 3.510 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1OC ZINC000893214009 838934905 /nfs/dbraw/zinc/93/49/05/838934905.db2.gz IKODBVLMIIFBBI-UHFFFAOYSA-N -1 3 391.855 3.616 20 0 GHADHM C[C@H]1[C@@H](C)N(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C ZINC000416321732 838948697 /nfs/dbraw/zinc/94/86/97/838948697.db2.gz LOPRMMMYEJSCNH-LHUKNYEISA-N -1 3 380.488 3.756 20 0 GHADHM CC(C)c1cc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n[nH]1 ZINC000183411230 838980139 /nfs/dbraw/zinc/98/01/39/838980139.db2.gz CDWRUJGHLLNUFB-IBGZPJMESA-N -1 3 392.459 3.739 20 0 GHADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183448702 838993583 /nfs/dbraw/zinc/99/35/83/838993583.db2.gz GSXIHNRSMHEMMD-SFHVURJKSA-N -1 3 385.464 3.982 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1ncoc1CCC(F)(F)F ZINC001125426939 839018594 /nfs/dbraw/zinc/01/85/94/839018594.db2.gz UMSPGGGCXWAQLP-UHFFFAOYSA-N -1 3 385.733 3.860 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)c([O-])c1 ZINC000580226388 839089307 /nfs/dbraw/zinc/08/93/07/839089307.db2.gz ZSIVAOVKYQGXQW-ZDUSSCGKSA-N -1 3 396.447 3.845 20 0 GHADHM C[C@@H](c1cccnc1)N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000549183005 839192178 /nfs/dbraw/zinc/19/21/78/839192178.db2.gz HBYGZQYOOPRIFP-AWEZNQCLSA-N -1 3 396.878 3.508 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2c(C)noc2C(F)F)cc(C(=O)OCC)c1 ZINC000610432172 839317118 /nfs/dbraw/zinc/31/71/18/839317118.db2.gz QFTQATNRJJGIOT-UHFFFAOYSA-N -1 3 396.346 3.526 20 0 GHADHM Cc1nc2sc(-c3ccccc3)cc2c(N2CCc3c(nc[n-]c3=O)C2)n1 ZINC000580358250 839380518 /nfs/dbraw/zinc/38/05/18/839380518.db2.gz XIJBGNZXURVJGY-UHFFFAOYSA-N -1 3 375.457 3.725 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2Br)c1[O-] ZINC000556893104 839389070 /nfs/dbraw/zinc/38/90/70/839389070.db2.gz RLHMZKKHJHBAQM-NSHDSACASA-N -1 3 378.222 3.763 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OCC1CC1 ZINC000416585874 839460268 /nfs/dbraw/zinc/46/02/68/839460268.db2.gz BVBHBJDVXLKIOQ-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1nc(-c2ccc(N[C@@H](C[C@H]3CCCO3)C(F)(F)F)nc2)[n-]c(=O)c1C ZINC000656224454 839612032 /nfs/dbraw/zinc/61/20/32/839612032.db2.gz IYAWUXLXGINYRX-KGLIPLIRSA-N -1 3 382.386 3.773 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000580497149 839676427 /nfs/dbraw/zinc/67/64/27/839676427.db2.gz OSWDBUDAHILULZ-ROUUACIJSA-N -1 3 379.453 3.617 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC2(CC2)CC1 ZINC000377592354 839790238 /nfs/dbraw/zinc/79/02/38/839790238.db2.gz BUUZLWGHRZTICG-UHFFFAOYSA-N -1 3 388.464 3.643 20 0 GHADHM O=S(=O)([N-]Cc1nccn1-c1ccccc1)c1c(Cl)cccc1Cl ZINC000460580935 839861271 /nfs/dbraw/zinc/86/12/71/839861271.db2.gz GEAWEGFAARHINY-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(C(F)(F)F)CCCC1 ZINC000415529076 839908674 /nfs/dbraw/zinc/90/86/74/839908674.db2.gz WTCMTORCKIDQRB-UHFFFAOYSA-N -1 3 376.176 3.580 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ccc(F)cc1C(F)(F)F ZINC000660104532 840234560 /nfs/dbraw/zinc/23/45/60/840234560.db2.gz UIMDXPVSQTWMFN-UHOFOFEASA-N -1 3 389.345 3.600 20 0 GHADHM COC[C@@H](C)[C@@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000580826412 840286693 /nfs/dbraw/zinc/28/66/93/840286693.db2.gz RBYPHFIMCQKPBA-NXEZZACHSA-N -1 3 392.257 3.670 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000433516766 844529458 /nfs/dbraw/zinc/52/94/58/844529458.db2.gz OIEGWDWXPRQGKG-WOJBJXKFSA-N -1 3 375.490 3.732 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ccccc2n1)c1csc(-c2ccccc2)n1 ZINC000500415712 840437468 /nfs/dbraw/zinc/43/74/68/840437468.db2.gz LTYUHKSKOVKRNH-UHFFFAOYSA-N -1 3 395.509 3.879 20 0 GHADHM O=c1nc(CN[C@H]([C@@H]2CCOC2)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000933013376 840448289 /nfs/dbraw/zinc/44/82/89/840448289.db2.gz VZVPVFVLSTXAHZ-YMTOWFKASA-N -1 3 399.394 3.714 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c(=O)[n-]1 ZINC000511664410 840480516 /nfs/dbraw/zinc/48/05/16/840480516.db2.gz HFETXLKGJYBTNI-UHFFFAOYSA-N -1 3 392.286 3.964 20 0 GHADHM CCCCc1noc([C@H](C)[S@@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417151067 840508658 /nfs/dbraw/zinc/50/86/58/840508658.db2.gz QSLRAXDEDSKGLX-CEXHIMGSSA-N -1 3 386.477 3.585 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](C)CC(C)(C)C3)nc(=O)c2c1C ZINC000544117214 840518775 /nfs/dbraw/zinc/51/87/75/840518775.db2.gz OCNCMOXNWLEHRC-AAEUAGOBSA-N -1 3 391.537 3.899 20 0 GHADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000580953852 840521222 /nfs/dbraw/zinc/52/12/22/840521222.db2.gz FCSAQEFTYSFIGG-JLTOFOAXSA-N -1 3 394.471 3.533 20 0 GHADHM COc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc(OC)c1[O-] ZINC000022348388 840710454 /nfs/dbraw/zinc/71/04/54/840710454.db2.gz POAUVYCXOXXPLV-WUXMJOGZSA-N -1 3 387.461 3.709 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)CCc1cccs1)c1ccccc1 ZINC000581104173 840715834 /nfs/dbraw/zinc/71/58/34/840715834.db2.gz KLXUYTXHSAJVPK-UHFFFAOYSA-N -1 3 386.498 3.985 20 0 GHADHM O=[S@](Cc1ccccc1)Cc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000156054849 840887899 /nfs/dbraw/zinc/88/78/99/840887899.db2.gz ZLHANOSTKOKCJF-WINIVTDRSA-N -1 3 388.489 3.715 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000156054849 840887906 /nfs/dbraw/zinc/88/79/06/840887906.db2.gz ZLHANOSTKOKCJF-WINIVTDRSA-N -1 3 388.489 3.715 20 0 GHADHM O=C(Cc1cccc(Cl)c1)Nc1cc(I)ccc1[O-] ZINC000610491155 840967684 /nfs/dbraw/zinc/96/76/84/840967684.db2.gz VIFIKPWPNITARP-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM C[C@H](CCCCC(=O)[O-])NCc1ccc(F)cc1I ZINC000417551085 840993791 /nfs/dbraw/zinc/99/37/91/840993791.db2.gz YCNLQEWASBRIEF-SNVBAGLBSA-N -1 3 379.213 3.553 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c(C)c1OC ZINC000417583798 841027835 /nfs/dbraw/zinc/02/78/35/841027835.db2.gz MSKUNMUHYPKYIG-INIZCTEOSA-N -1 3 394.265 3.690 20 0 GHADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1OCC1CC1)Oc1ccccc1 ZINC000417639548 841089659 /nfs/dbraw/zinc/08/96/59/841089659.db2.gz MMDMIJPSNIRNIT-IBGZPJMESA-N -1 3 375.852 3.751 20 0 GHADHM COC(C)(C)C[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184009702 841092257 /nfs/dbraw/zinc/09/22/57/841092257.db2.gz JRXCPQCBRSEXLB-UZLBHIALSA-N -1 3 398.503 3.573 20 0 GHADHM O=C([O-])CC1(CCNCc2cn(-c3ccc(F)cc3Cl)nn2)CCCCC1 ZINC000417656633 841108573 /nfs/dbraw/zinc/10/85/73/841108573.db2.gz XJAZRRLMKGLJMC-UHFFFAOYSA-N -1 3 394.878 3.965 20 0 GHADHM COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001125994366 841209262 /nfs/dbraw/zinc/20/92/62/841209262.db2.gz HPXIVXAVVKAJJQ-UHFFFAOYSA-N -1 3 384.457 3.926 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000581405892 841268129 /nfs/dbraw/zinc/26/81/29/841268129.db2.gz MWMDYOTUBYFGAB-CYBMUJFWSA-N -1 3 382.309 3.533 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1(F)F ZINC000657159811 844744844 /nfs/dbraw/zinc/74/48/44/844744844.db2.gz LXSPWIGNJRYWSJ-LLVKDONJSA-N -1 3 388.661 3.816 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-c4ncon4)cc3)nc(=O)c2c1C ZINC000730629444 861193709 /nfs/dbraw/zinc/19/37/09/861193709.db2.gz QKHGIBZDEHSVEI-JTQLQIEISA-N -1 3 396.428 3.982 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(OC)c(O)c3)c2)n1 ZINC000588415120 841522349 /nfs/dbraw/zinc/52/23/49/841522349.db2.gz BPTLBWWPJPAYFU-NTMALXAHSA-N -1 3 391.427 3.778 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1)C1CCCCC1 ZINC000656615983 841566693 /nfs/dbraw/zinc/56/66/93/841566693.db2.gz IMIJQSBMJZTFAA-SFHVURJKSA-N -1 3 391.493 3.606 20 0 GHADHM COCc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1C(F)(F)F ZINC000656634944 841623837 /nfs/dbraw/zinc/62/38/37/841623837.db2.gz MBTACQWDZQEASG-UHFFFAOYSA-N -1 3 388.411 3.719 20 0 GHADHM Cc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cnc1C(F)(F)F ZINC000656638348 841630918 /nfs/dbraw/zinc/63/09/18/841630918.db2.gz YWAKFDJPARMUHU-UHFFFAOYSA-N -1 3 377.388 3.636 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000500311719 841915116 /nfs/dbraw/zinc/91/51/16/841915116.db2.gz CWAULFRHUPIIQT-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032539 842076143 /nfs/dbraw/zinc/07/61/43/842076143.db2.gz PXFGSOOASUCUKO-HXUWFJFHSA-N -1 3 394.471 3.957 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccnc2C(F)(F)F)[nH][n-]1 ZINC000473140712 842113253 /nfs/dbraw/zinc/11/32/53/842113253.db2.gz QBOLAMJWMURGPA-UHFFFAOYSA-N -1 3 396.756 3.827 20 0 GHADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000637088835 842130686 /nfs/dbraw/zinc/13/06/86/842130686.db2.gz BWDIBKZJWVTRND-SECBINFHSA-N -1 3 378.504 3.788 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000471701379 842194094 /nfs/dbraw/zinc/19/40/94/842194094.db2.gz HUIZIHTUKRBEBG-MRXNPFEDSA-N -1 3 392.452 3.589 20 0 GHADHM Cc1cccc(Oc2ncccc2NC(=O)c2cnc3c(cnn3C)c2[O-])c1C ZINC000511897380 842198552 /nfs/dbraw/zinc/19/85/52/842198552.db2.gz SDNCONBLUYILDC-UHFFFAOYSA-N -1 3 389.415 3.730 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000581839173 842265926 /nfs/dbraw/zinc/26/59/26/842265926.db2.gz UTGSZLYLTVTWOZ-UHFFFAOYSA-N -1 3 389.702 3.673 20 0 GHADHM COc1ccc([C@H](NC(=O)NCc2ncccc2[O-])c2ccc(C)cc2)cc1 ZINC000471731627 842284099 /nfs/dbraw/zinc/28/40/99/842284099.db2.gz MDZLXSQDUQVCJY-OAQYLSRUSA-N -1 3 377.444 3.693 20 0 GHADHM Cn1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)n2)c1 ZINC000581850858 842297151 /nfs/dbraw/zinc/29/71/51/842297151.db2.gz LDQLSZSNGUQFGE-UHFFFAOYSA-N -1 3 398.419 3.682 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000730809228 861297062 /nfs/dbraw/zinc/29/70/62/861297062.db2.gz MIZKZRNHNNOAPG-OPQQBVKSSA-N -1 3 394.306 3.700 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000730809050 861297781 /nfs/dbraw/zinc/29/77/81/861297781.db2.gz QSIHONVFQJMAPB-JTQLQIEISA-N -1 3 388.258 3.636 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(CN3CCOCC3)ccc2C)cc1 ZINC000127335624 842564030 /nfs/dbraw/zinc/56/40/30/842564030.db2.gz XYWPFPSNCGNIBM-UHFFFAOYSA-N -1 3 388.533 3.581 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ncccc1OCC(F)(F)F ZINC000531458657 842597170 /nfs/dbraw/zinc/59/71/70/842597170.db2.gz OBYYYVKPAJZEJW-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000432494751 842680908 /nfs/dbraw/zinc/68/09/08/842680908.db2.gz FZEXLXIZUZYBEF-LJQANCHMSA-N -1 3 390.505 3.660 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)C ZINC000512158621 842684922 /nfs/dbraw/zinc/68/49/22/842684922.db2.gz FKDZHXSPOTVWHZ-LBPRGKRZSA-N -1 3 382.309 3.638 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)cc1CC ZINC000432497164 842702001 /nfs/dbraw/zinc/70/20/01/842702001.db2.gz OEAPBCDDQFQHEX-HXUWFJFHSA-N -1 3 388.533 3.997 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCSC[C@@H](C)C3)nc(=O)c2c1C ZINC000253587610 842817198 /nfs/dbraw/zinc/81/71/98/842817198.db2.gz KAYVCYAUCHLKFS-JQWIXIFHSA-N -1 3 395.550 3.628 20 0 GHADHM O=S(=O)([N-]c1ccc2nccnc2c1Br)c1ccccc1Cl ZINC000320011396 842915293 /nfs/dbraw/zinc/91/52/93/842915293.db2.gz RIOQKTBTLXBRNF-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000663261605 842939484 /nfs/dbraw/zinc/93/94/84/842939484.db2.gz MDORDKIGIQSCNM-KRWDZBQOSA-N -1 3 383.366 3.646 20 0 GHADHM Cc1ccncc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000657081516 843028841 /nfs/dbraw/zinc/02/88/41/843028841.db2.gz AXFXPWVGUUTHHD-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM C[C@@](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000520851270 843277873 /nfs/dbraw/zinc/27/78/73/843277873.db2.gz DOBAZDYKHHJPAF-URXFXBBRSA-N -1 3 394.515 3.590 20 0 GHADHM CCc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1CC ZINC000436718207 843282979 /nfs/dbraw/zinc/28/29/79/843282979.db2.gz YUMWDIKKONAYGD-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000512315183 843364961 /nfs/dbraw/zinc/36/49/61/843364961.db2.gz VYCYNXKHXIPDGN-UHFFFAOYSA-N -1 3 376.460 3.838 20 0 GHADHM COc1cccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000512322696 843371379 /nfs/dbraw/zinc/37/13/79/843371379.db2.gz AJMIVDWJPBTJEZ-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@](C)(F)C3)c2)cc1 ZINC000500607722 843729759 /nfs/dbraw/zinc/72/97/59/843729759.db2.gz DPLLJQYIDXJKGA-HXUWFJFHSA-N -1 3 390.480 3.678 20 0 GHADHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092263089 843746763 /nfs/dbraw/zinc/74/67/63/843746763.db2.gz SXGHCNLPXNKURH-LBPRGKRZSA-N -1 3 382.404 3.871 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N=c2[n-]nc(C(F)F)s2)N(CC)CC)cc1 ZINC000432770673 843762543 /nfs/dbraw/zinc/76/25/43/843762543.db2.gz XSZQPNCIVLRDMX-CQSZACIVSA-N -1 3 397.495 3.665 20 0 GHADHM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000432781024 843807695 /nfs/dbraw/zinc/80/76/95/843807695.db2.gz MKLFCSKLOWUIKF-UHFFFAOYSA-N -1 3 375.277 3.869 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cc(Cl)ccc1Br ZINC000429890225 843854251 /nfs/dbraw/zinc/85/42/51/843854251.db2.gz JFQMOHUWNRZAFC-SNVBAGLBSA-N -1 3 384.748 3.667 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(C)cc2)[nH][n-]1 ZINC000512836586 843870540 /nfs/dbraw/zinc/87/05/40/843870540.db2.gz ZYAMDEGQJRQWTM-ZDUSSCGKSA-N -1 3 385.851 3.875 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cn2ccc3ccccc32)[nH][n-]1 ZINC000512844013 843877220 /nfs/dbraw/zinc/87/72/20/843877220.db2.gz FWQJWOQSQPEGQH-UHFFFAOYSA-N -1 3 380.835 3.754 20 0 GHADHM CCc1noc2ncc(C(=O)N=c3cc(-c4cc(Cl)ccc4OC)[n-][nH]3)cc12 ZINC000512846774 843878914 /nfs/dbraw/zinc/87/89/14/843878914.db2.gz RCMQFOBKFKPHLM-UHFFFAOYSA-N -1 3 397.822 3.512 20 0 GHADHM CCSc1cc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)ccn1 ZINC000512846360 843879680 /nfs/dbraw/zinc/87/96/80/843879680.db2.gz OPYWYKBOBZORSU-UHFFFAOYSA-N -1 3 388.880 3.920 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc(Br)ccc1Cl ZINC000429895653 843907201 /nfs/dbraw/zinc/90/72/01/843907201.db2.gz BTODNPQKEMYKIY-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM CSCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429897245 843907735 /nfs/dbraw/zinc/90/77/35/843907735.db2.gz SVBUFSDZOUARPF-UHFFFAOYSA-N -1 3 386.764 3.914 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCc2ccccc2C1 ZINC000028322927 844000933 /nfs/dbraw/zinc/00/09/33/844000933.db2.gz XTLFMMBEJVEUOO-ZDUSSCGKSA-N -1 3 399.343 3.719 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000500787200 844009025 /nfs/dbraw/zinc/00/90/25/844009025.db2.gz MQYZCZJYPCNBMQ-UHFFFAOYSA-N -1 3 382.913 3.990 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)ccc1F ZINC000729402476 844934102 /nfs/dbraw/zinc/93/41/02/844934102.db2.gz QTARDMVMZSDQFR-MRXNPFEDSA-N -1 3 384.517 3.553 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)cc2s1 ZINC000535879017 844985389 /nfs/dbraw/zinc/98/53/89/844985389.db2.gz CUKAZQVUODKSPC-UHFFFAOYSA-N -1 3 398.517 3.663 20 0 GHADHM COC(=O)c1cc2cc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)ccc2o1 ZINC000603976633 861527020 /nfs/dbraw/zinc/52/70/20/861527020.db2.gz MZSNSUWGJSDDLV-UHFFFAOYSA-N -1 3 389.429 3.646 20 0 GHADHM O=S(=O)([N-]C1CCC2(CC2(F)F)CC1)c1ccc(Br)s1 ZINC000657197293 845118677 /nfs/dbraw/zinc/11/86/77/845118677.db2.gz GPORTLCSGPQRAN-UHFFFAOYSA-N -1 3 386.283 3.757 20 0 GHADHM CCCCCN(CCO)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411268152 845148334 /nfs/dbraw/zinc/14/83/34/845148334.db2.gz SXXAKFYQSGPTJQ-UHFFFAOYSA-N -1 3 389.496 3.775 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001211760975 845296117 /nfs/dbraw/zinc/29/61/17/845296117.db2.gz FFLUSTIYOVIDTI-UHFFFAOYSA-N -1 3 380.775 3.623 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000431301581 845709548 /nfs/dbraw/zinc/70/95/48/845709548.db2.gz WAMMVSYMBNUSOC-UHFFFAOYSA-N -1 3 377.849 3.903 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000513601360 845717988 /nfs/dbraw/zinc/71/79/88/845717988.db2.gz RTACWKIZNRWVSP-SFHVURJKSA-N -1 3 399.397 3.664 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434013462 845726319 /nfs/dbraw/zinc/72/63/19/845726319.db2.gz UKEUKUDRMYTREI-UHFFFAOYSA-N -1 3 381.819 3.545 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]Cc1cc(-c2ccccc2)no1 ZINC000431306406 845739822 /nfs/dbraw/zinc/73/98/22/845739822.db2.gz PCEDOYZMOGCXET-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000472108180 845911958 /nfs/dbraw/zinc/91/19/58/845911958.db2.gz LZBCJNRNMDRXQT-LSDHHAIUSA-N -1 3 379.382 3.942 20 0 GHADHM O=C([N-]c1cccc(Cl)c1F)c1sccc1S(=O)(=O)N1CCCC1 ZINC000105597951 846018828 /nfs/dbraw/zinc/01/88/28/846018828.db2.gz JREKFMADYLVPRP-UHFFFAOYSA-N -1 3 388.873 3.577 20 0 GHADHM COc1cc2nc(-c3ccc(COCC(F)(F)F)cc3)[n-]c(=O)c2cc1OC ZINC000119723117 846074899 /nfs/dbraw/zinc/07/48/99/846074899.db2.gz LZANPGUESUGSCT-UHFFFAOYSA-N -1 3 394.349 3.686 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1cccc([O-])c1Br)C2 ZINC001140547792 846228068 /nfs/dbraw/zinc/22/80/68/846228068.db2.gz OFUAUHIVDQYEFN-UHFFFAOYSA-N -1 3 397.313 3.598 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000186805189 861665961 /nfs/dbraw/zinc/66/59/61/861665961.db2.gz WNGSUHQOBGOOFH-UHFFFAOYSA-N -1 3 383.231 3.505 20 0 GHADHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000684761466 846419510 /nfs/dbraw/zinc/41/95/10/846419510.db2.gz WXSBSZPWMFLHPT-UHFFFAOYSA-N -1 3 393.267 3.793 20 0 GHADHM O=C(NCc1ncccc1[O-])NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000472176067 846442286 /nfs/dbraw/zinc/44/22/86/846442286.db2.gz UREZJNZDHITXTK-UHFFFAOYSA-N -1 3 399.800 3.990 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c(Cl)c(OC)c1 ZINC000582168789 846558637 /nfs/dbraw/zinc/55/86/37/846558637.db2.gz PTTJCSUJCCNAQW-UHFFFAOYSA-N -1 3 395.864 3.677 20 0 GHADHM O=C(NCc1ncccc1[O-])NCC(Cc1ccccc1)Cc1ccccc1 ZINC000472190965 846573104 /nfs/dbraw/zinc/57/31/04/846573104.db2.gz PFQICJPZFFJHRS-UHFFFAOYSA-N -1 3 375.472 3.688 20 0 GHADHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc(=O)c2ccccc2[n-]1 ZINC000277507457 846598896 /nfs/dbraw/zinc/59/88/96/846598896.db2.gz JOTRENZSXUOEHC-FYYLOGMGSA-N -1 3 394.446 3.583 20 0 GHADHM CCc1nc(C)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000051512014 846632667 /nfs/dbraw/zinc/63/26/67/846632667.db2.gz FCWWBUQPFWBBPF-SECBINFHSA-N -1 3 377.491 3.847 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000503052126 846769339 /nfs/dbraw/zinc/76/93/39/846769339.db2.gz JTIDBLPYGTXUMF-QGZVFWFLSA-N -1 3 387.553 3.650 20 0 GHADHM COc1ccc2cccc(C=C([O-])Nc3nc(-c4ccccc4)ns3)c2c1 ZINC000513711460 846826539 /nfs/dbraw/zinc/82/65/39/846826539.db2.gz IXUZAJODJITLTN-UHFFFAOYSA-N -1 3 375.453 3.970 20 0 GHADHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1c[n-]c2ccccc2c1=O ZINC000277565337 846998168 /nfs/dbraw/zinc/99/81/68/846998168.db2.gz NKYNXJVPHOFJTP-NFBKMPQASA-N -1 3 394.446 3.583 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 ZINC000501828388 847219571 /nfs/dbraw/zinc/21/95/71/847219571.db2.gz QLWGGWSTTSROGJ-LJQANCHMSA-N -1 3 391.489 3.752 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H](CC)c3ccc(C)cc3)CC2)[n-]1 ZINC000277626505 847324646 /nfs/dbraw/zinc/32/46/46/847324646.db2.gz GPMMYJUKVURONI-INIZCTEOSA-N -1 3 398.507 3.580 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H](CC)c3ccc(C)cc3)CC2)n[n-]1 ZINC000277626505 847324654 /nfs/dbraw/zinc/32/46/54/847324654.db2.gz GPMMYJUKVURONI-INIZCTEOSA-N -1 3 398.507 3.580 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccn(-c4ccccc4)n3)nc2)n1 ZINC000731662252 861791553 /nfs/dbraw/zinc/79/15/53/861791553.db2.gz HDVHTDMVRYJXKL-UHFFFAOYSA-N -1 3 386.459 3.629 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127782008 847453250 /nfs/dbraw/zinc/45/32/50/847453250.db2.gz DBTLHSWIFIPJQA-SFHVURJKSA-N -1 3 394.515 3.642 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](c3cccs3)n3cccc3)nc21 ZINC000502084822 847472761 /nfs/dbraw/zinc/47/27/61/847472761.db2.gz OHOGJWSGZJONDI-HNNXBMFYSA-N -1 3 394.456 3.831 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)NCCSCc2cccc3ccccc32)n1 ZINC000065552852 847480921 /nfs/dbraw/zinc/48/09/21/847480921.db2.gz GYLCCBPZKMIQEH-UHFFFAOYSA-N -1 3 381.505 3.806 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000673810022 861798458 /nfs/dbraw/zinc/79/84/58/861798458.db2.gz UKUZMSHBOXYRHK-YVEFUNNKSA-N -1 3 381.350 3.976 20 0 GHADHM CCC(O)(CC)C(C)(C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000664315957 847641254 /nfs/dbraw/zinc/64/12/54/847641254.db2.gz IISWRDWSGVOVRV-UHFFFAOYSA-N -1 3 386.496 3.856 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1C ZINC000513788498 847683592 /nfs/dbraw/zinc/68/35/92/847683592.db2.gz RWLJKDGLQGRLNL-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM Cc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cccc1C(=O)Nc1ccccc1 ZINC000503491658 847732443 /nfs/dbraw/zinc/73/24/43/847732443.db2.gz XNWUSVLHWQREGG-UHFFFAOYSA-N -1 3 389.390 3.910 20 0 GHADHM Cc1ccc(C)c(Oc2cccc(Cl)c2CNC[C@@](C)(O)C(=O)[O-])c1C ZINC000414679628 847745906 /nfs/dbraw/zinc/74/59/06/847745906.db2.gz KGEGDNIAVFUKHA-HXUWFJFHSA-N -1 3 377.868 3.983 20 0 GHADHM CCn1c(CN2CC[C@@H](c3ccc(OC)cc3)C2)nc2cc(C(=O)[O-])ccc21 ZINC000582612230 847783552 /nfs/dbraw/zinc/78/35/52/847783552.db2.gz RHENPXFOGZATHY-QGZVFWFLSA-N -1 3 379.460 3.753 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccc(C)o1 ZINC000673825610 861831798 /nfs/dbraw/zinc/83/17/98/861831798.db2.gz ZVZGLFKPDKASOW-GOSISDBHSA-N -1 3 398.484 3.899 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000611660126 847828494 /nfs/dbraw/zinc/82/84/94/847828494.db2.gz AGLACEJDJZEWTD-QGZVFWFLSA-N -1 3 375.472 3.677 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)c(N)c3)nc(=O)c2c1C ZINC000006972212 847908916 /nfs/dbraw/zinc/90/89/16/847908916.db2.gz BHXDPWDWIMEQLZ-MRVPVSSYSA-N -1 3 377.853 3.755 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccc(C2CC2)c1 ZINC000582675065 847986738 /nfs/dbraw/zinc/98/67/38/847986738.db2.gz WIOLTELZKWGHSM-UHFFFAOYSA-N -1 3 388.187 3.760 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)c(C)c1 ZINC000728507964 848120892 /nfs/dbraw/zinc/12/08/92/848120892.db2.gz KAPBFSCPZHESEP-UHFFFAOYSA-N -1 3 394.518 3.968 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)cc1F ZINC001211555219 848188581 /nfs/dbraw/zinc/18/85/81/848188581.db2.gz KIHDTVPZZKRKJV-GFCCVEGCSA-N -1 3 387.473 3.741 20 0 GHADHM COc1cc(CNC(=O)N=c2cc3ccccn3[n-]2)ccc1OCCC(C)C ZINC000548765945 848344303 /nfs/dbraw/zinc/34/43/03/848344303.db2.gz NXFDUNHQSTVUTD-UHFFFAOYSA-N -1 3 382.464 3.511 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000731784921 861892934 /nfs/dbraw/zinc/89/29/34/861892934.db2.gz MWGAXLQFDMTVFY-UHFFFAOYSA-N -1 3 376.478 3.510 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cccc(NC(N)=O)c1 ZINC000029323123 861897411 /nfs/dbraw/zinc/89/74/11/861897411.db2.gz HZIPIAWIRJJAFE-UHFFFAOYSA-N -1 3 375.494 3.892 20 0 GHADHM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000023118337 848766170 /nfs/dbraw/zinc/76/61/70/848766170.db2.gz ULVVYTZTYFUNKZ-UHFFFAOYSA-N -1 3 385.272 3.686 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)CCCOCc2ccccc2)cc1Cl ZINC000582976031 848802537 /nfs/dbraw/zinc/80/25/37/848802537.db2.gz UCUCEBPTLUUTAR-UHFFFAOYSA-N -1 3 381.881 3.891 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=O)[n-]1 ZINC000121881870 848849213 /nfs/dbraw/zinc/84/92/13/848849213.db2.gz ZHHOHBFMSFXDGV-UHFFFAOYSA-N -1 3 393.409 3.529 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000121943974 848864174 /nfs/dbraw/zinc/86/41/74/848864174.db2.gz SMWNVLBBNVZPFV-LLVKDONJSA-N -1 3 382.291 3.846 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cncc([O-])c3)cs2)cc1OC ZINC000731916501 861959019 /nfs/dbraw/zinc/95/90/19/861959019.db2.gz WIIPFRSNBVZFBW-UHFFFAOYSA-N -1 3 386.429 3.675 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1[O-] ZINC000531116782 849143101 /nfs/dbraw/zinc/14/31/01/849143101.db2.gz MGYHFRUITUWQFJ-QGZVFWFLSA-N -1 3 390.277 3.931 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)[n-]1 ZINC000555836473 861985486 /nfs/dbraw/zinc/98/54/86/861985486.db2.gz PHKIWAYADGEKHF-UHFFFAOYSA-N -1 3 394.865 3.710 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1cc(Cl)ccc1Br ZINC000429868157 862031378 /nfs/dbraw/zinc/03/13/78/862031378.db2.gz NKEHCEJIRLEDJI-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029780826 862071694 /nfs/dbraw/zinc/07/16/94/862071694.db2.gz LYASZDXXPSCSTP-LBPRGKRZSA-N -1 3 398.525 3.797 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000506612484 850095828 /nfs/dbraw/zinc/09/58/28/850095828.db2.gz ZMRVCBWVXYFFGS-INIZCTEOSA-N -1 3 386.467 3.532 20 0 GHADHM O=S(=O)(C=Cc1ccc(Br)cc1)[N-]c1cccc2n[nH]cc21 ZINC000171337571 862091488 /nfs/dbraw/zinc/09/14/88/862091488.db2.gz OLGBNVVAVWKKGO-CMDGGOBGSA-N -1 3 378.251 3.738 20 0 GHADHM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000908581508 850186428 /nfs/dbraw/zinc/18/64/28/850186428.db2.gz CFIDFSTXGJFLNN-HXUWFJFHSA-N -1 3 398.478 3.541 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)Nc2cccc(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC000908617240 850238829 /nfs/dbraw/zinc/23/88/29/850238829.db2.gz HRYBAVIKABQBQC-HXUWFJFHSA-N -1 3 387.867 3.581 20 0 GHADHM Cc1nn(CC(=O)Nc2ccc(Br)cc2[O-])cc1-c1ccccc1 ZINC000518891602 850285820 /nfs/dbraw/zinc/28/58/20/850285820.db2.gz HKSSVRMXQZVYFE-UHFFFAOYSA-N -1 3 386.249 3.965 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)cc2)n1 ZINC000443893787 862112174 /nfs/dbraw/zinc/11/21/74/862112174.db2.gz BYTMXESPRCCHIP-CQSZACIVSA-N -1 3 391.443 3.807 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(-c2ccccc2F)n1 ZINC000514820704 850324360 /nfs/dbraw/zinc/32/43/60/850324360.db2.gz ZPKGDKJWTBVTOE-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000908753791 850331449 /nfs/dbraw/zinc/33/14/49/850331449.db2.gz XANDJRNECPKWOT-DLBZAZTESA-N -1 3 393.553 3.608 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)cnc1OCC1CC1 ZINC000514880347 850403834 /nfs/dbraw/zinc/40/38/34/850403834.db2.gz OFBWUWGAJQRTHS-UHFFFAOYSA-N -1 3 381.201 3.730 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)CC1 ZINC000439985315 850635082 /nfs/dbraw/zinc/63/50/82/850635082.db2.gz ARCOAJRRSIHXBV-UHFFFAOYSA-N -1 3 381.520 3.501 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[nH]1)c1cc2cc(Cl)sc2[n-]1 ZINC000487309715 850657274 /nfs/dbraw/zinc/65/72/74/850657274.db2.gz WLNVXFAGJSUNGZ-UHFFFAOYSA-N -1 3 395.669 3.967 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(Br)s1 ZINC000435598170 850686795 /nfs/dbraw/zinc/68/67/95/850686795.db2.gz NFZFNXZGQOUREH-MGCOHNPYSA-N -1 3 390.299 3.874 20 0 GHADHM CCCc1nnc([N-]C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)s1 ZINC000435664330 850735261 /nfs/dbraw/zinc/73/52/61/850735261.db2.gz MFPIBBFKMYYFBE-UHFFFAOYSA-N -1 3 390.490 3.884 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cnn(CC(C)C)c1C1CC1)c2=O ZINC000515196509 850772574 /nfs/dbraw/zinc/77/25/74/850772574.db2.gz UMQYRBBURNLFNP-UHFFFAOYSA-N -1 3 398.438 3.658 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1OCC ZINC000435726006 850810520 /nfs/dbraw/zinc/81/05/20/850810520.db2.gz KWCFOJLHKRXOPJ-UHFFFAOYSA-N -1 3 379.478 3.910 20 0 GHADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000732279982 862173597 /nfs/dbraw/zinc/17/35/97/862173597.db2.gz VINXFWLMYRGZAR-HRAATJIYSA-N -1 3 377.444 3.575 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732306414 862186526 /nfs/dbraw/zinc/18/65/26/862186526.db2.gz RZMQKRYXEKQWRB-LLVKDONJSA-N -1 3 375.350 3.715 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)cc1F ZINC000513849428 850949007 /nfs/dbraw/zinc/94/90/07/850949007.db2.gz YLQAQHAXRLVUNU-LLVKDONJSA-N -1 3 382.457 3.792 20 0 GHADHM Cc1c(NC(=O)[C@@H]2CCCN2C2CCCC2)cc(Br)cc1C(=O)[O-] ZINC000910079689 850976626 /nfs/dbraw/zinc/97/66/26/850976626.db2.gz CFELJUVSUQIKAL-INIZCTEOSA-N -1 3 395.297 3.801 20 0 GHADHM COc1cc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc(Cl)c1[O-] ZINC000425073504 851022569 /nfs/dbraw/zinc/02/25/69/851022569.db2.gz AUFFZTDLTCODSF-UHFFFAOYSA-N -1 3 395.912 3.920 20 0 GHADHM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)c1 ZINC000435967898 851040487 /nfs/dbraw/zinc/04/04/87/851040487.db2.gz AMDYKQLYJASJEV-UHFFFAOYSA-N -1 3 391.489 3.554 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000515463947 851054060 /nfs/dbraw/zinc/05/40/60/851054060.db2.gz MYPBBEMFSPTXMM-GOEBONIOSA-N -1 3 391.265 3.519 20 0 GHADHM Cc1cc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c(OC(F)F)cc1C ZINC000426636686 851069985 /nfs/dbraw/zinc/06/99/85/851069985.db2.gz APDSIMOBYAKHMU-QGZVFWFLSA-N -1 3 383.366 3.666 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426647136 851112901 /nfs/dbraw/zinc/11/29/01/851112901.db2.gz MGFQYEAEXHHNJG-HNNXBMFYSA-N -1 3 388.222 3.763 20 0 GHADHM Cc1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c(Br)c1 ZINC000426649306 851127241 /nfs/dbraw/zinc/12/72/41/851127241.db2.gz XAKRCYKDCNUKPI-MRXNPFEDSA-N -1 3 382.229 3.518 20 0 GHADHM O=C([O-])C[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)c2ccccc21 ZINC000910362776 851154475 /nfs/dbraw/zinc/15/44/75/851154475.db2.gz KEMRMQLTZRYDNF-IBGZPJMESA-N -1 3 378.472 3.891 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(F)cc1F ZINC000440395314 851154823 /nfs/dbraw/zinc/15/48/23/851154823.db2.gz BYCKWFYFZITKDI-WMZOPIPTSA-N -1 3 385.407 3.611 20 0 GHADHM O=C(NCc1csc(CCc2ccccc2)n1)c1cc(=O)c2ccccc2[n-]1 ZINC000434568341 851269340 /nfs/dbraw/zinc/26/93/40/851269340.db2.gz ZEDBOLPCJLQUQK-UHFFFAOYSA-N -1 3 389.480 3.700 20 0 GHADHM O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NCc1ncccc1[O-] ZINC000473634621 851303843 /nfs/dbraw/zinc/30/38/43/851303843.db2.gz WPZZCOLBUBPXPB-UHFFFAOYSA-N -1 3 393.390 3.788 20 0 GHADHM O=C(Nc1cc(C(=O)NCc2ncccc2[O-])ccc1Cl)c1cccs1 ZINC000473636560 851323191 /nfs/dbraw/zinc/32/31/91/851323191.db2.gz GRZSMHVYTYBNGH-UHFFFAOYSA-N -1 3 387.848 3.684 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000732394244 862256923 /nfs/dbraw/zinc/25/69/23/862256923.db2.gz JEFRKVXLEVKQQG-OAHLLOKOSA-N -1 3 383.231 3.914 20 0 GHADHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000053019737 851608693 /nfs/dbraw/zinc/60/86/93/851608693.db2.gz AIFWJIQQGXLKPH-UHFFFAOYSA-N -1 3 384.451 3.689 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000111324837 851626510 /nfs/dbraw/zinc/62/65/10/851626510.db2.gz VRBORVKXGJVDHM-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c(=O)[n-]1 ZINC000101528635 851637473 /nfs/dbraw/zinc/63/74/73/851637473.db2.gz STNZYTDROCZFQQ-CQSZACIVSA-N -1 3 377.444 3.599 20 0 GHADHM CCCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226908 851651077 /nfs/dbraw/zinc/65/10/77/851651077.db2.gz FWKJANILCJOPIG-QFIPXVFZSA-N -1 3 394.515 3.831 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)C2CC2)cc1 ZINC000519562059 851796892 /nfs/dbraw/zinc/79/68/92/851796892.db2.gz WTCQHTMLEKCHIJ-HNNXBMFYSA-N -1 3 376.456 3.978 20 0 GHADHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(C)o1 ZINC000488823590 851801046 /nfs/dbraw/zinc/80/10/46/851801046.db2.gz JHMHUFMCPFSJHX-QMMMGPOBSA-N -1 3 394.237 3.977 20 0 GHADHM CCOc1cc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000488901965 851855255 /nfs/dbraw/zinc/85/52/55/851855255.db2.gz PSNGMUAWWNEPHW-MRXNPFEDSA-N -1 3 380.847 3.616 20 0 GHADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436547207 852034577 /nfs/dbraw/zinc/03/45/77/852034577.db2.gz IXOHYBNQRRYFHC-NRFANRHFSA-N -1 3 394.515 3.650 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c([O-])c1C ZINC000436540625 852051308 /nfs/dbraw/zinc/05/13/08/852051308.db2.gz SNBVVUBHIQTFCS-UHFFFAOYSA-N -1 3 384.501 3.759 20 0 GHADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436545890 852058635 /nfs/dbraw/zinc/05/86/35/852058635.db2.gz NNJPYHYVAIISBY-HZPDHXFCSA-N -1 3 382.460 3.561 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1[O-] ZINC000436575047 852060550 /nfs/dbraw/zinc/06/05/50/852060550.db2.gz LZCBVVGAFKDBDS-LLVKDONJSA-N -1 3 376.250 3.718 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560049 852064040 /nfs/dbraw/zinc/06/40/40/852064040.db2.gz ZXSWIIMIMBQCDY-MAODMQOUSA-N -1 3 380.488 3.948 20 0 GHADHM CCOc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccc1O ZINC000436567142 852071065 /nfs/dbraw/zinc/07/10/65/852071065.db2.gz YDHCUCHAEIQMAJ-UHFFFAOYSA-N -1 3 379.185 3.596 20 0 GHADHM C[S@@](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436591429 852078673 /nfs/dbraw/zinc/07/86/73/852078673.db2.gz QCLNKFJVYRQKCT-HHHXNRCGSA-N -1 3 381.453 3.961 20 0 GHADHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436589897 852096861 /nfs/dbraw/zinc/09/68/61/852096861.db2.gz QMEIKBIXGMZYSQ-ZAPUSCAOSA-N -1 3 387.501 3.994 20 0 GHADHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436605011 852104716 /nfs/dbraw/zinc/10/47/16/852104716.db2.gz PEVHMFFRRSQHOM-LJQANCHMSA-N -1 3 386.451 3.839 20 0 GHADHM CO[C@@H](C)CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(C)C ZINC000436615942 852115771 /nfs/dbraw/zinc/11/57/71/852115771.db2.gz BXELHWCSSOMXGJ-LAUBAEHRSA-N -1 3 398.503 3.525 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)[S@]1=O ZINC000436626947 852120173 /nfs/dbraw/zinc/12/01/73/852120173.db2.gz QYQVZRMMNTVVHW-QAZDYGKNSA-N -1 3 385.529 3.549 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[O-])N2CCCC2)o1 ZINC000436629677 852124191 /nfs/dbraw/zinc/12/41/91/852124191.db2.gz WTCJGFXYIWFTHV-OAHLLOKOSA-N -1 3 393.281 3.623 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619513 852133678 /nfs/dbraw/zinc/13/36/78/852133678.db2.gz RNIHJIYNIMLHHA-SFHVURJKSA-N -1 3 386.879 3.699 20 0 GHADHM CSc1ccc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)o1 ZINC000112241362 852141603 /nfs/dbraw/zinc/14/16/03/852141603.db2.gz GFUGZVITCXPYSX-UHFFFAOYSA-N -1 3 393.266 3.656 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000132917083 862326331 /nfs/dbraw/zinc/32/63/31/862326331.db2.gz OJCIXQNLIMENFR-UHFFFAOYSA-N -1 3 382.366 3.853 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436662692 852159658 /nfs/dbraw/zinc/15/96/58/852159658.db2.gz JNGLVCHFCZFEHK-ZWKOTPCHSA-N -1 3 377.481 3.609 20 0 GHADHM CN1C(=O)C[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489285134 852188150 /nfs/dbraw/zinc/18/81/50/852188150.db2.gz BSZGXHHCCPDTLJ-RDJZCZTQSA-N -1 3 397.233 3.540 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436682008 852189852 /nfs/dbraw/zinc/18/98/52/852189852.db2.gz OOFPOAKKMWRRNS-INIZCTEOSA-N -1 3 398.478 3.521 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436688949 852199134 /nfs/dbraw/zinc/19/91/34/852199134.db2.gz CXDBZHNYLTWGIR-FQEVSTJZSA-N -1 3 380.488 3.779 20 0 GHADHM COc1cc(-c2nc([C@@H](OC)c3ccccc3Cl)no2)cc(OC)c1[O-] ZINC000436692978 852203470 /nfs/dbraw/zinc/20/34/70/852203470.db2.gz ZKLVJEFNWFJILH-INIZCTEOSA-N -1 3 376.796 3.849 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(OC(F)F)cc1C ZINC000436697839 852211122 /nfs/dbraw/zinc/21/11/22/852211122.db2.gz OIEHBRJBWNDXOG-UHFFFAOYSA-N -1 3 390.430 3.568 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000436698754 852213360 /nfs/dbraw/zinc/21/33/60/852213360.db2.gz ZZXMEEJMKNZSAM-UHFFFAOYSA-N -1 3 380.419 3.749 20 0 GHADHM CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(O)cc1[O-] ZINC000436702543 852220252 /nfs/dbraw/zinc/22/02/52/852220252.db2.gz ASWYMAATRLBVOU-GFCCVEGCSA-N -1 3 376.250 3.837 20 0 GHADHM CC(C)c1ccc(-n2nnnc2SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000436705783 852223074 /nfs/dbraw/zinc/22/30/74/852223074.db2.gz ODKAMPYXRQYBRY-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000436737675 852254707 /nfs/dbraw/zinc/25/47/07/852254707.db2.gz JPEFYLAODXPRDT-CYBMUJFWSA-N -1 3 389.448 3.698 20 0 GHADHM CC1=C[C@@H](C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000438333353 852258014 /nfs/dbraw/zinc/25/80/14/852258014.db2.gz UOQOUHFCTUYMOQ-SECBINFHSA-N -1 3 395.684 3.982 20 0 GHADHM O=C(NCc1nncn1-c1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436760250 852281205 /nfs/dbraw/zinc/28/12/05/852281205.db2.gz OIGBICLPQFWYKN-UHFFFAOYSA-N -1 3 386.411 3.695 20 0 GHADHM O=C([O-])[C@@H](CNCc1csc(-c2ccccn2)n1)Cc1ccc(Cl)cc1 ZINC000426704940 852289532 /nfs/dbraw/zinc/28/95/32/852289532.db2.gz MSRASYCMIWBPNU-CQSZACIVSA-N -1 3 387.892 3.892 20 0 GHADHM COc1ccc(CCC2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)cc1 ZINC000436750676 852292020 /nfs/dbraw/zinc/29/20/20/852292020.db2.gz OSYHZBNYYHLFLN-UHFFFAOYSA-N -1 3 399.487 3.903 20 0 GHADHM CC(C)(C)Cc1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000436778194 852311701 /nfs/dbraw/zinc/31/17/01/852311701.db2.gz QMYQJBMLLVMYOX-OAHLLOKOSA-N -1 3 387.505 3.681 20 0 GHADHM CCc1nc(C(=O)Nc2cc(Br)ccc2[O-])nn1-c1ccccc1 ZINC000436800879 852333787 /nfs/dbraw/zinc/33/37/87/852333787.db2.gz OVXVZNNNEIDLTJ-UHFFFAOYSA-N -1 3 387.237 3.550 20 0 GHADHM COc1ccc(OCc2nc(CN[C@H]3CCCC[C@@]3(C)C(=O)[O-])cs2)cc1 ZINC000426726268 852347404 /nfs/dbraw/zinc/34/74/04/852347404.db2.gz IKNADHHCDZPXBA-FXAWDEMLSA-N -1 3 390.505 3.854 20 0 GHADHM CC(C)[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436808086 852367087 /nfs/dbraw/zinc/36/70/87/852367087.db2.gz KNYBSKNYZJHJPB-NRFANRHFSA-N -1 3 394.515 3.943 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1[O-] ZINC000436810073 852369771 /nfs/dbraw/zinc/36/97/71/852369771.db2.gz QVGJSXBCEBITNT-UHFFFAOYSA-N -1 3 386.429 3.794 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819719 852388113 /nfs/dbraw/zinc/38/81/13/852388113.db2.gz FDNBGCGBJBCJKE-KKSFZXQISA-N -1 3 380.488 3.948 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CCC3CC3)cs2)c1 ZINC000436821946 852389820 /nfs/dbraw/zinc/38/98/20/852389820.db2.gz NAMNSNWBBFKYCA-ZDUSSCGKSA-N -1 3 387.505 3.647 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000436824510 852393339 /nfs/dbraw/zinc/39/33/39/852393339.db2.gz HHQZVZDNKKQCQK-SFHVURJKSA-N -1 3 390.277 3.931 20 0 GHADHM COc1ccc([C@H](NCc2ccc(Br)c(C)c2)C(=O)[O-])cc1F ZINC000426804435 852416478 /nfs/dbraw/zinc/41/64/78/852416478.db2.gz ULRZFIDOWNGPDG-INIZCTEOSA-N -1 3 382.229 3.821 20 0 GHADHM O=C(NCc1cccc(-n2cncn2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436859086 852421770 /nfs/dbraw/zinc/42/17/70/852421770.db2.gz JZAHZWPBKXQPHV-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCc3ccncc3)cc2)C(=O)[O-])cc1F ZINC000426819197 852431230 /nfs/dbraw/zinc/43/12/30/852431230.db2.gz HNBMOODFEJEKTL-NRFANRHFSA-N -1 3 396.418 3.724 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OCC(F)(F)F ZINC000426837290 852444297 /nfs/dbraw/zinc/44/42/97/852444297.db2.gz WPNYMLAEYRVNJD-AWEZNQCLSA-N -1 3 375.368 3.613 20 0 GHADHM CC(C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436903874 852468676 /nfs/dbraw/zinc/46/86/76/852468676.db2.gz VIBMTFHWRGDSLA-OAQYLSRUSA-N -1 3 394.515 3.628 20 0 GHADHM CC(C)c1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436920068 852500783 /nfs/dbraw/zinc/50/07/83/852500783.db2.gz QCXWLEVACVLSQX-UHFFFAOYSA-N -1 3 381.476 3.942 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])c(C)c2)CC1 ZINC000436920659 852501646 /nfs/dbraw/zinc/50/16/46/852501646.db2.gz QGRMITQNMCYEKZ-UHFFFAOYSA-N -1 3 391.874 3.887 20 0 GHADHM CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000426043045 852507471 /nfs/dbraw/zinc/50/74/71/852507471.db2.gz MOMCRAKPFQGELT-INIZCTEOSA-N -1 3 390.281 3.673 20 0 GHADHM [O-]c1ccccc1-c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000436934183 852516564 /nfs/dbraw/zinc/51/65/64/852516564.db2.gz SBRPQDJASTZIKX-UHFFFAOYSA-N -1 3 389.205 3.567 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1c(C)noc1C ZINC000489670868 852521109 /nfs/dbraw/zinc/52/11/09/852521109.db2.gz HSSPUFFTFBQHRA-JTQLQIEISA-N -1 3 396.362 3.759 20 0 GHADHM COC(=O)CCCOc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436946288 852527146 /nfs/dbraw/zinc/52/71/46/852527146.db2.gz OWSQCGMKSGPFTA-UHFFFAOYSA-N -1 3 399.443 3.690 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCC[C@@H](C)C2)c1 ZINC000436970772 852553006 /nfs/dbraw/zinc/55/30/06/852553006.db2.gz MNHYOKOEOYHMKD-UKRRQHHQSA-N -1 3 385.464 3.887 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000436970771 852553150 /nfs/dbraw/zinc/55/31/50/852553150.db2.gz MNHYOKOEOYHMKD-HIFRSBDPSA-N -1 3 385.464 3.887 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2CCCCC2)c1 ZINC000282480582 862368773 /nfs/dbraw/zinc/36/87/73/862368773.db2.gz LOPQZALMMFVTQS-ZDUSSCGKSA-N -1 3 385.464 3.982 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983002 852571317 /nfs/dbraw/zinc/57/13/17/852571317.db2.gz WGVKCFLANJKOJV-HIFRSBDPSA-N -1 3 387.505 3.741 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000436969583 852574563 /nfs/dbraw/zinc/57/45/63/852574563.db2.gz ZCMFOGZMHKORGB-GOSISDBHSA-N -1 3 393.443 3.779 20 0 GHADHM CSc1cccc(C)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436998411 852590301 /nfs/dbraw/zinc/59/03/01/852590301.db2.gz BVRPNVFIVHQWQW-UHFFFAOYSA-N -1 3 399.516 3.849 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000437000407 852613835 /nfs/dbraw/zinc/61/38/35/852613835.db2.gz NOKVSHYJXBKYKI-KRWDZBQOSA-N -1 3 396.487 3.696 20 0 GHADHM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000506311388 852671369 /nfs/dbraw/zinc/67/13/69/852671369.db2.gz DFXXQLDEQHBRAE-WBVHZDCISA-N -1 3 387.553 3.650 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)c1 ZINC000473854127 852676532 /nfs/dbraw/zinc/67/65/32/852676532.db2.gz YGFDUMNUYXDJAQ-NRFANRHFSA-N -1 3 391.471 3.752 20 0 GHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438813659 852875988 /nfs/dbraw/zinc/87/59/88/852875988.db2.gz YRBIMDCOCCLMGD-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000427261660 852913094 /nfs/dbraw/zinc/91/30/94/852913094.db2.gz ZVPMVCGTNYUIIO-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000028987483 852959640 /nfs/dbraw/zinc/95/96/40/852959640.db2.gz TUMSNXRAQDUGID-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000028987483 852959646 /nfs/dbraw/zinc/95/96/46/852959646.db2.gz TUMSNXRAQDUGID-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM COc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(OCc2ccccc2)c1 ZINC000506019496 852970763 /nfs/dbraw/zinc/97/07/63/852970763.db2.gz LLTRTZPVUKELSY-UHFFFAOYSA-N -1 3 392.390 3.937 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000507529522 853014902 /nfs/dbraw/zinc/01/49/02/853014902.db2.gz ILJQLCKYADESBC-NSHDSACASA-N -1 3 381.810 3.570 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc(C(F)(F)F)on1 ZINC000490457496 853019086 /nfs/dbraw/zinc/01/90/86/853019086.db2.gz YTHYGMIFEKSRJX-UHFFFAOYSA-N -1 3 386.754 3.700 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2F)C1)c1c(Cl)cccc1Cl ZINC000490437514 853029490 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GHADHM COc1n[n-]c(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC000490683528 853182924 /nfs/dbraw/zinc/18/29/24/853182924.db2.gz JIQLQEMLIDZZHU-AWEZNQCLSA-N -1 3 376.388 3.564 20 0 GHADHM C[C@@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1(C)CC1 ZINC000439021476 853191014 /nfs/dbraw/zinc/19/10/14/853191014.db2.gz KAAUROIYHSASJZ-CQSZACIVSA-N -1 3 390.480 3.887 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOc3c(C)cccc3C)nc2)n1 ZINC000518318472 853197249 /nfs/dbraw/zinc/19/72/49/853197249.db2.gz AJMWMJTYAGAMCB-UHFFFAOYSA-N -1 3 378.476 3.726 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H]3c3ccccc3)nc(=O)c2c1C ZINC000437577274 853286334 /nfs/dbraw/zinc/28/63/34/853286334.db2.gz HPRGNGMHYAYXPH-ZFWWWQNUSA-N -1 3 397.500 3.978 20 0 GHADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000556028820 862447968 /nfs/dbraw/zinc/44/79/68/862447968.db2.gz QFGUVAHGVSIXKW-MRXNPFEDSA-N -1 3 379.243 3.577 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c(C)c1F ZINC000481870968 862448247 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COc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000571333417 853845789 /nfs/dbraw/zinc/84/57/89/853845789.db2.gz CJLDVHQXJUBDQI-ZDUSSCGKSA-N -1 3 391.386 3.534 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(Br)cc3)c2)n1 ZINC000156600255 853890171 /nfs/dbraw/zinc/89/01/71/853890171.db2.gz LWOGZIUNVRWDNC-UHFFFAOYSA-N -1 3 385.217 3.727 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000481913477 862510813 /nfs/dbraw/zinc/51/08/13/862510813.db2.gz GAZIKXODOXQVGT-QUJNKJAPSA-N -1 3 396.335 3.589 20 0 GHADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1sccc1Br ZINC000188288747 853919382 /nfs/dbraw/zinc/91/93/82/853919382.db2.gz YADCSASPRMISED-UHFFFAOYSA-N -1 3 396.715 3.651 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481915574 862513762 /nfs/dbraw/zinc/51/37/62/862513762.db2.gz MKFALYKQJRXSCG-GFCCVEGCSA-N -1 3 390.365 3.574 20 0 GHADHM Cc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)sc1Br ZINC000559981299 854003528 /nfs/dbraw/zinc/00/35/28/854003528.db2.gz JZWBJFPDUCHESJ-INIZCTEOSA-N -1 3 384.270 3.974 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000055663617 854050568 /nfs/dbraw/zinc/05/05/68/854050568.db2.gz BHFNWOKHOSGESQ-UHFFFAOYSA-N -1 3 384.432 3.907 20 0 GHADHM C[C@H](OCC1CC1)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000588007534 854068098 /nfs/dbraw/zinc/06/80/98/854068098.db2.gz XTWMPYRQFGAKHI-VIFPVBQESA-N -1 3 398.688 3.668 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)nc2)sc1Cl ZINC000473907338 854235494 /nfs/dbraw/zinc/23/54/94/854235494.db2.gz ASRQBZCCXSYXNJ-UHFFFAOYSA-N -1 3 399.969 3.820 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(C1CC1)C1CCCC1 ZINC000112635396 854280318 /nfs/dbraw/zinc/28/03/18/854280318.db2.gz FBHNGPWNNRWBMR-UHFFFAOYSA-N -1 3 375.266 3.838 20 0 GHADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112638834 854280998 /nfs/dbraw/zinc/28/09/98/854280998.db2.gz AQLFUJZQXHLBCK-WLRWDXFRSA-N -1 3 397.272 3.954 20 0 GHADHM C[C@H](CC1CC1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000112691089 854292441 /nfs/dbraw/zinc/29/24/41/854292441.db2.gz VVXIFUJBEQAMMV-CYBMUJFWSA-N -1 3 376.453 3.545 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000473928635 854307825 /nfs/dbraw/zinc/30/78/25/854307825.db2.gz PYLNEOWFCRDQAB-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000473928635 854307833 /nfs/dbraw/zinc/30/78/33/854307833.db2.gz PYLNEOWFCRDQAB-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)(C)CO)sc1Cl ZINC000473956234 854423759 /nfs/dbraw/zinc/42/37/59/854423759.db2.gz LZQZOTCUWVWVKP-CQSZACIVSA-N -1 3 387.954 3.791 20 0 GHADHM CCOc1ccc(F)c([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1F ZINC000536279258 854425141 /nfs/dbraw/zinc/42/51/41/854425141.db2.gz DROHGOOXHYXUNN-UHFFFAOYSA-N -1 3 378.766 3.850 20 0 GHADHM Cc1cc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000572183865 854435275 /nfs/dbraw/zinc/43/52/75/854435275.db2.gz HZPAUFCPINOGTE-CQSZACIVSA-N -1 3 385.855 3.574 20 0 GHADHM O=S(=O)([N-]CCCc1nc2c(s1)CCCC2)c1ccc(Cl)cc1F ZINC000589172189 854714157 /nfs/dbraw/zinc/71/41/57/854714157.db2.gz PYLLSNPTUDNDJL-UHFFFAOYSA-N -1 3 388.917 3.726 20 0 GHADHM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(N)=O)c3)cc2)c1 ZINC000589438471 854877470 /nfs/dbraw/zinc/87/74/70/854877470.db2.gz ASOLFJGJKRKXBK-UHFFFAOYSA-N -1 3 396.468 3.995 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncccc3CSC)c2)n1 ZINC000589452512 854881736 /nfs/dbraw/zinc/88/17/36/854881736.db2.gz UZXGDGVLEFNRRA-UHFFFAOYSA-N -1 3 380.473 3.922 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)[n-]1 ZINC000589493543 854906512 /nfs/dbraw/zinc/90/65/12/854906512.db2.gz LIWVYRQWKQIOEW-UHFFFAOYSA-N -1 3 394.269 3.574 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)c[n-]1 ZINC000589493543 854906519 /nfs/dbraw/zinc/90/65/19/854906519.db2.gz LIWVYRQWKQIOEW-UHFFFAOYSA-N -1 3 394.269 3.574 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(=O)[n-]c(C4CC4)n2)C3)cs1 ZINC000572779709 854986649 /nfs/dbraw/zinc/98/66/49/854986649.db2.gz SEBIXLZCQOOJPJ-UHFFFAOYSA-N -1 3 398.513 3.752 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(Cl)cc2C)o1 ZINC000186420286 855103760 /nfs/dbraw/zinc/10/37/60/855103760.db2.gz DHGHZEVLWJMKRL-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM Cc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c([O-])c1 ZINC000589704001 855114097 /nfs/dbraw/zinc/11/40/97/855114097.db2.gz WDGGBRNGAYSPHX-IBGZPJMESA-N -1 3 384.863 3.942 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nnn1-c1cccc(C)c1 ZINC000054420828 855151079 /nfs/dbraw/zinc/15/10/79/855151079.db2.gz QTUXHCLTBYLSTQ-UHFFFAOYSA-N -1 3 390.472 3.579 20 0 GHADHM CCCCc1nc(NC(=O)Cc2ccc(F)cc2Cl)c(C(=O)OCC)[n-]1 ZINC001128073862 855229611 /nfs/dbraw/zinc/22/96/11/855229611.db2.gz LPLAQOOWDWMKGU-UHFFFAOYSA-N -1 3 381.835 3.903 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)c2ccc(F)cc2F)c(C(=O)OCC)[n-]1 ZINC001128073963 855229782 /nfs/dbraw/zinc/22/97/82/855229782.db2.gz NYSNRIOLPLGRBD-NSHDSACASA-N -1 3 379.407 3.949 20 0 GHADHM CC(C)(C)C1=CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482055478 862658280 /nfs/dbraw/zinc/65/82/80/862658280.db2.gz YMECAFIFDJQQTO-UHFFFAOYSA-N -1 3 377.286 3.729 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C[C@@H]1C ZINC000132187890 855397451 /nfs/dbraw/zinc/39/74/51/855397451.db2.gz QMMMXVCWTJLCGH-CABCVRRESA-N -1 3 390.480 3.745 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3-n3ccc(C)n3)nc2)n1 ZINC000132190071 855398264 /nfs/dbraw/zinc/39/82/64/855398264.db2.gz XBRIKRRPXQELDN-UHFFFAOYSA-N -1 3 386.459 3.501 20 0 GHADHM COc1ccc(C2([N-]S(=O)(=O)c3c(F)cc(OC)cc3F)CCCC2)cc1 ZINC000590609335 855506924 /nfs/dbraw/zinc/50/69/24/855506924.db2.gz IGCHUSAELIZOHC-UHFFFAOYSA-N -1 3 397.443 3.730 20 0 GHADHM Cc1ccc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)c1 ZINC001128097649 855521285 /nfs/dbraw/zinc/52/12/85/855521285.db2.gz WOOZPRUKOXGPML-UHFFFAOYSA-N -1 3 393.480 3.876 20 0 GHADHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)no1 ZINC000624742610 855641823 /nfs/dbraw/zinc/64/18/23/855641823.db2.gz KZGDFEOQBQRYEO-UHFFFAOYSA-N -1 3 378.281 3.515 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000605026031 862716914 /nfs/dbraw/zinc/71/69/14/862716914.db2.gz VKMFNHGLTUDPMS-IBGZPJMESA-N -1 3 392.459 3.566 20 0 GHADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1NC(=O)c1ccco1 ZINC000520632992 855857272 /nfs/dbraw/zinc/85/72/72/855857272.db2.gz PDDSPCIAIRCSHK-UHFFFAOYSA-N -1 3 386.411 3.905 20 0 GHADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2ccccc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000765883742 855888984 /nfs/dbraw/zinc/88/89/84/855888984.db2.gz CCANIXINFOSPOT-DLBZAZTESA-N -1 3 384.348 3.757 20 0 GHADHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)ccc21 ZINC000184022069 855933930 /nfs/dbraw/zinc/93/39/30/855933930.db2.gz NEVVODAEGXAOFB-UHFFFAOYSA-N -1 3 376.453 3.542 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)C2)cc1Cl ZINC000591390172 855943332 /nfs/dbraw/zinc/94/33/32/855943332.db2.gz HUIFOBDTVVAINS-OLZOCXBDSA-N -1 3 390.908 3.931 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCCCCC3)cs2)c1 ZINC000760825531 855949256 /nfs/dbraw/zinc/94/92/56/855949256.db2.gz TXAVFHPJQKJQLN-UHFFFAOYSA-N -1 3 387.505 3.745 20 0 GHADHM Cc1ccsc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000520667711 855968285 /nfs/dbraw/zinc/96/82/85/855968285.db2.gz OGKJGHOQOVLNIA-SNVBAGLBSA-N -1 3 383.882 3.799 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2ccsc2C(F)(F)F)n[n-]1 ZINC000895104007 856008196 /nfs/dbraw/zinc/00/81/96/856008196.db2.gz BVOMYMGKNCOPQI-LLVKDONJSA-N -1 3 390.431 3.939 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ccsc2C(F)(F)F)[n-]1 ZINC000895104007 856008208 /nfs/dbraw/zinc/00/82/08/856008208.db2.gz BVOMYMGKNCOPQI-LLVKDONJSA-N -1 3 390.431 3.939 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2ccsc2C(F)(F)F)n1 ZINC000895104007 856008216 /nfs/dbraw/zinc/00/82/16/856008216.db2.gz BVOMYMGKNCOPQI-LLVKDONJSA-N -1 3 390.431 3.939 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2ccnc(Cl)c2Cl)n[n-]1 ZINC000895105728 856047605 /nfs/dbraw/zinc/04/76/05/856047605.db2.gz ONLOECKTVSBEDP-NSHDSACASA-N -1 3 386.283 3.560 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ccnc(Cl)c2Cl)[n-]1 ZINC000895105728 856047616 /nfs/dbraw/zinc/04/76/16/856047616.db2.gz ONLOECKTVSBEDP-NSHDSACASA-N -1 3 386.283 3.560 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2ccnc(Cl)c2Cl)n1 ZINC000895105728 856047629 /nfs/dbraw/zinc/04/76/29/856047629.db2.gz ONLOECKTVSBEDP-NSHDSACASA-N -1 3 386.283 3.560 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)[n-]n1 ZINC000542834767 856074274 /nfs/dbraw/zinc/07/42/74/856074274.db2.gz YLIJCMNHDJXPNJ-UHFFFAOYSA-N -1 3 385.445 3.884 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)n[n-]1 ZINC000542834767 856074281 /nfs/dbraw/zinc/07/42/81/856074281.db2.gz YLIJCMNHDJXPNJ-UHFFFAOYSA-N -1 3 385.445 3.884 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccsc3[C@H]2C)c1 ZINC000921510399 862757023 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COC(=O)c1c(F)ccc([N-]C(=O)c2ncoc2-c2ccc(OC)cc2)c1F ZINC000485167964 856181188 /nfs/dbraw/zinc/18/11/88/856181188.db2.gz LOYFCBKDCCKZIH-UHFFFAOYSA-N -1 3 388.326 3.667 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)s2)o1 ZINC000032965518 856265861 /nfs/dbraw/zinc/26/58/61/856265861.db2.gz KVOXXSXBSJFTRW-UHFFFAOYSA-N -1 3 391.474 3.644 20 0 GHADHM S=c1[n-]nc(CCC2CCCC2)n1CN1CCN(Cc2cccs2)CC1 ZINC000058205134 856281279 /nfs/dbraw/zinc/28/12/79/856281279.db2.gz WJXIPHSKZNFECO-UHFFFAOYSA-N -1 3 391.610 3.900 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccc(COc4ccccc4)cc3)no2)c(=O)[n-]1 ZINC000109570407 856328247 /nfs/dbraw/zinc/32/82/47/856328247.db2.gz OZVPWCVJWCIIMY-UHFFFAOYSA-N -1 3 388.427 3.607 20 0 GHADHM O=C(CCCCCNC(=O)NC1CCCCC1)[N-]OCc1ccc(F)cc1 ZINC000186472663 856372665 /nfs/dbraw/zinc/37/26/65/856372665.db2.gz WZIBPGJTZAMFGD-UHFFFAOYSA-N -1 3 379.476 3.566 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1c(F)cccc1F ZINC000482196548 862794380 /nfs/dbraw/zinc/79/43/80/862794380.db2.gz AOEXWEWARVVWLM-SECBINFHSA-N -1 3 395.207 3.680 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2nn(-c3ccc(F)cc3)c3c2CCC3)[n-]1 ZINC000656120259 856431851 /nfs/dbraw/zinc/43/18/51/856431851.db2.gz KBKICNXWEAOUKG-UHFFFAOYSA-N -1 3 393.344 3.627 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3cc([O-])c4ccccc4c3)n[nH]2)c(OC)c1 ZINC000471950373 856451110 /nfs/dbraw/zinc/45/11/10/856451110.db2.gz FCJPWPGCFKDCIB-UHFFFAOYSA-N -1 3 390.399 3.600 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000195564101 856470638 /nfs/dbraw/zinc/47/06/38/856470638.db2.gz PQHAAKSAFAOYFG-GJZGRUSLSA-N -1 3 382.460 3.771 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1F)c1cc(Cl)ccc1Br ZINC000485420981 856477480 /nfs/dbraw/zinc/47/74/80/856477480.db2.gz NPXGVFSHWXGVMY-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000043045512 856479505 /nfs/dbraw/zinc/47/95/05/856479505.db2.gz NRBPYLVEBHHOAV-BBRMVZONSA-N -1 3 393.915 3.984 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000482207594 862808471 /nfs/dbraw/zinc/80/84/71/862808471.db2.gz HWEJEEMJBOTRJL-JGVFFNPUSA-N -1 3 379.169 3.550 20 0 GHADHM COc1ccc(N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1Cl ZINC000485420588 856498330 /nfs/dbraw/zinc/49/83/30/856498330.db2.gz CVLOEUHZGYWUDT-UHFFFAOYSA-N -1 3 378.762 3.745 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@]1(C)C(=O)[O-] ZINC000573926979 856568496 /nfs/dbraw/zinc/56/84/96/856568496.db2.gz GGYLYAKPLHXSNI-PIGZYNQJSA-N -1 3 379.254 3.647 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482211278 862822437 /nfs/dbraw/zinc/82/24/37/862822437.db2.gz NKYZVXNNPPQXJF-UHFFFAOYSA-N -1 3 391.353 3.506 20 0 GHADHM CCc1nc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)nn1-c1ccccc1 ZINC000605180185 862825624 /nfs/dbraw/zinc/82/56/24/862825624.db2.gz QJALLKDJIXCSMN-UHFFFAOYSA-N -1 3 392.850 3.547 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000110883610 856695635 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O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cc(F)ccc1Cl ZINC000111333593 856890759 /nfs/dbraw/zinc/89/07/59/856890759.db2.gz NNCDTIXLNCNUFZ-SFHVURJKSA-N -1 3 376.840 3.942 20 0 GHADHM CC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000485666316 856901950 /nfs/dbraw/zinc/90/19/50/856901950.db2.gz FHRLYBTXXFMJSG-HNNXBMFYSA-N -1 3 396.260 3.511 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c(F)c1 ZINC000508095595 856908059 /nfs/dbraw/zinc/90/80/59/856908059.db2.gz NYYILTVKJMMUAA-UHFFFAOYSA-N -1 3 395.452 3.854 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1F ZINC000508102960 856920026 /nfs/dbraw/zinc/92/00/26/856920026.db2.gz NRQFWHSDBPPQDB-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCCCc1nc(NC(=O)c2ccoc2Br)c(C(=O)OCC)[n-]1 ZINC000485706293 856957957 /nfs/dbraw/zinc/95/79/57/856957957.db2.gz SJIUZKPZTRQJJN-UHFFFAOYSA-N -1 3 384.230 3.537 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CCCc3sc(C)nc32)c(C(=O)OCC)[n-]1 ZINC000485709203 856965159 /nfs/dbraw/zinc/96/51/59/856965159.db2.gz KGWSMVKJCMPDPS-LBPRGKRZSA-N -1 3 390.509 3.753 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)N(C)C ZINC000672246230 856967388 /nfs/dbraw/zinc/96/73/88/856967388.db2.gz MWASTAVFGPWBCH-JTQLQIEISA-N -1 3 396.274 3.840 20 0 GHADHM Cc1cccc(C2(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)CCCCC2)c1 ZINC000428008441 857007564 /nfs/dbraw/zinc/00/75/64/857007564.db2.gz PJLMPCGJISYVOT-UHFFFAOYSA-N -1 3 393.487 3.732 20 0 GHADHM COC(=O)Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1C ZINC000542941274 857009268 /nfs/dbraw/zinc/00/92/68/857009268.db2.gz YEJSBVXAUDQXQW-UHFFFAOYSA-N -1 3 376.334 3.633 20 0 GHADHM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000428031729 857042484 /nfs/dbraw/zinc/04/24/84/857042484.db2.gz MIRZABHFGLLMNG-UHFFFAOYSA-N -1 3 389.386 3.785 20 0 GHADHM O=S(=O)([N-]C1CC=CC1)c1csc(-c2cccc(Br)c2)n1 ZINC000675332052 857151451 /nfs/dbraw/zinc/15/14/51/857151451.db2.gz ZGYKJHPAXHLGIC-UHFFFAOYSA-N -1 3 385.308 3.570 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc3c(s1)C[C@@H](C)CC3)c2=O ZINC000485876922 857178133 /nfs/dbraw/zinc/17/81/33/857178133.db2.gz QCEAEVJDKBWBQE-VIFPVBQESA-N -1 3 387.436 3.509 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000057301390 857185547 /nfs/dbraw/zinc/18/55/47/857185547.db2.gz FSWVCZZFCIIERJ-ZIAGYGMSSA-N -1 3 378.469 3.791 20 0 GHADHM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000508337252 857196989 /nfs/dbraw/zinc/19/69/89/857196989.db2.gz BTHFITQGVPWGKY-AWEZNQCLSA-N -1 3 381.863 3.945 20 0 GHADHM Cc1csc(C(C)(C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000906723134 857263165 /nfs/dbraw/zinc/26/31/65/857263165.db2.gz SDLFRWHNWUDBCP-UHFFFAOYSA-N -1 3 382.511 3.920 20 0 GHADHM CC(C)(C)OC(=O)c1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486000986 857311739 /nfs/dbraw/zinc/31/17/39/857311739.db2.gz FZACUQDYGVIWLS-FPLPWBNLSA-N -1 3 375.428 3.958 20 0 GHADHM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(C)c1C ZINC001128238200 857345511 /nfs/dbraw/zinc/34/55/11/857345511.db2.gz LHXWLAKPROITFM-QGZVFWFLSA-N -1 3 379.378 3.955 20 0 GHADHM CCn1nc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1C1CC1 ZINC000906922420 857392052 /nfs/dbraw/zinc/39/20/52/857392052.db2.gz VYCBMUQJARVRBY-UHFFFAOYSA-N -1 3 377.470 3.836 20 0 GHADHM CCN(CC)C(=O)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(OC)c1 ZINC001212464005 857474363 /nfs/dbraw/zinc/47/43/63/857474363.db2.gz OSSARUBDWNEECR-UHFFFAOYSA-N -1 3 380.448 3.812 20 0 GHADHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000521019923 857508175 /nfs/dbraw/zinc/50/81/75/857508175.db2.gz UDTSZVUXONTGIH-UHFFFAOYSA-N -1 3 394.328 3.751 20 0 GHADHM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000675608483 857518713 /nfs/dbraw/zinc/51/87/13/857518713.db2.gz RCYOJLLMZKXYQL-KRWDZBQOSA-N -1 3 394.471 3.705 20 0 GHADHM C[C@H]1CN(Cc2cccc(CNC(=O)c3cc4ccccc4cc3[O-])c2)CCO1 ZINC000063103848 857590652 /nfs/dbraw/zinc/59/06/52/857590652.db2.gz JLFOBBPUKWDSGA-KRWDZBQOSA-N -1 3 390.483 3.696 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2C)cc1 ZINC000442240475 857644251 /nfs/dbraw/zinc/64/42/51/857644251.db2.gz GVPXHRANNMRMOQ-AWEZNQCLSA-N -1 3 387.505 3.839 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cc(Cl)ccc1[O-] ZINC000063803279 857661259 /nfs/dbraw/zinc/66/12/59/857661259.db2.gz YZUBOKYDEGIDJO-UHFFFAOYSA-N -1 3 387.848 3.936 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)cc1Cl ZINC000062071636 862937698 /nfs/dbraw/zinc/93/76/98/862937698.db2.gz NGQMTEVGDAEFQI-CQSZACIVSA-N -1 3 380.897 3.674 20 0 GHADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1c(F)cccc1F ZINC000064463118 857709241 /nfs/dbraw/zinc/70/92/41/857709241.db2.gz MVZJBENXJCKNSH-UHFFFAOYSA-N -1 3 393.191 3.619 20 0 GHADHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1Nc1cc(F)cc(F)c1[O-] ZINC001212478034 857718406 /nfs/dbraw/zinc/71/84/06/857718406.db2.gz RQKMAUUCEQCPIC-UHFFFAOYSA-N -1 3 384.404 3.662 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730757 857733951 /nfs/dbraw/zinc/73/39/51/857733951.db2.gz LWLRRKFVBSWTFS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070730757 857733958 /nfs/dbraw/zinc/73/39/58/857733958.db2.gz LWLRRKFVBSWTFS-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000521211656 857736918 /nfs/dbraw/zinc/73/69/18/857736918.db2.gz TYGMBDCXRLMJHR-ZUZCIYMTSA-N -1 3 375.343 3.864 20 0 GHADHM C[C@@H](OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000733444834 862947368 /nfs/dbraw/zinc/94/73/68/862947368.db2.gz NQFWXBIPHQFDFN-IERDGZPVSA-N -1 3 390.439 3.953 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000065751343 857772226 /nfs/dbraw/zinc/77/22/26/857772226.db2.gz YWBMYYSJKVFIMN-HNNXBMFYSA-N -1 3 392.440 3.549 20 0 GHADHM [O-]c1c(F)cc(F)cc1Nc1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001212481662 857798627 /nfs/dbraw/zinc/79/86/27/857798627.db2.gz BXUBTUYCURNBIV-LLVKDONJSA-N -1 3 381.770 3.906 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486549945 857865287 /nfs/dbraw/zinc/86/52/87/857865287.db2.gz PFJTXSNRLGALGD-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(OCC(F)F)cc1 ZINC000181664637 862962517 /nfs/dbraw/zinc/96/25/17/862962517.db2.gz SPHQJUMWLCKMSA-UHFFFAOYSA-N -1 3 379.331 3.733 20 0 GHADHM CC(C)Cc1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000109562969 857906617 /nfs/dbraw/zinc/90/66/17/857906617.db2.gz ZOIARCHCTSUWBM-UHFFFAOYSA-N -1 3 375.425 3.875 20 0 GHADHM CCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)C1CCN(Cc2ccccc2)CC1 ZINC000908090900 857913471 /nfs/dbraw/zinc/91/34/71/857913471.db2.gz HYPRNCKHFRBSDU-UHFFFAOYSA-N -1 3 384.476 3.803 20 0 GHADHM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908149113 857936387 /nfs/dbraw/zinc/93/63/87/857936387.db2.gz PSFDOSFGLRTDLA-OLZOCXBDSA-N -1 3 383.514 3.646 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1C ZINC000676559386 857936548 /nfs/dbraw/zinc/93/65/48/857936548.db2.gz DKRWXDLHMAMTCK-UHFFFAOYSA-N -1 3 381.404 3.858 20 0 GHADHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC000066577004 857943180 /nfs/dbraw/zinc/94/31/80/857943180.db2.gz AQXKSGPVMNYQPH-NSHDSACASA-N -1 3 393.852 3.863 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000066606580 857944226 /nfs/dbraw/zinc/94/42/26/857944226.db2.gz ITCAXMBVADWOGX-UHFFFAOYSA-N -1 3 387.486 3.742 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc4[nH]c(=O)[nH]c4c3)nc2)n1 ZINC000674063924 862967720 /nfs/dbraw/zinc/96/77/20/862967720.db2.gz DYYBHTRRLJXIIK-NSHDSACASA-N -1 3 376.420 3.562 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000574568950 858088434 /nfs/dbraw/zinc/08/84/34/858088434.db2.gz AFZWWIIUXCPDCF-CTYIDZIISA-N -1 3 385.265 3.586 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1cnccc1C(F)(F)F ZINC000442739875 858090001 /nfs/dbraw/zinc/09/00/01/858090001.db2.gz GBHBIFYTPVDQMM-GDBMZVCRSA-N -1 3 384.423 3.790 20 0 GHADHM O=C([N-]CC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1)C(F)(F)F ZINC000281384936 862995080 /nfs/dbraw/zinc/99/50/80/862995080.db2.gz NUXLKCUGPIMULF-UHFFFAOYSA-N -1 3 379.382 3.762 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC12CCC2 ZINC000521653108 858206882 /nfs/dbraw/zinc/20/68/82/858206882.db2.gz IATBZBSRFUQJDN-QGZVFWFLSA-N -1 3 389.293 3.941 20 0 GHADHM COc1ccc(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1Cl ZINC000442935697 858242405 /nfs/dbraw/zinc/24/24/05/858242405.db2.gz PDOLXNVTHKVLLI-UHFFFAOYSA-N -1 3 389.713 3.774 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2c1 ZINC000443005758 858306076 /nfs/dbraw/zinc/30/60/76/858306076.db2.gz XHWXCSQEGKRXBI-UHFFFAOYSA-N -1 3 375.388 3.751 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H](C)c3ccc(OC)cc3)[n-]c(=O)c12 ZINC000594886863 858307897 /nfs/dbraw/zinc/30/78/97/858307897.db2.gz CGWWTXNBCSMJIG-LLVKDONJSA-N -1 3 399.472 3.730 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc(Cl)c1[O-] ZINC000443058841 858328893 /nfs/dbraw/zinc/32/88/93/858328893.db2.gz AVTZPLVKGVJYAF-HNNXBMFYSA-N -1 3 398.850 3.817 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000443097246 858374800 /nfs/dbraw/zinc/37/48/00/858374800.db2.gz KPNUWRJNPCHBRO-OAHLLOKOSA-N -1 3 387.482 3.654 20 0 GHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)no1 ZINC000443159970 858414376 /nfs/dbraw/zinc/41/43/76/858414376.db2.gz NFVJSONWZIYURZ-UHFFFAOYSA-N -1 3 397.806 3.518 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000115256063 858467237 /nfs/dbraw/zinc/46/72/37/858467237.db2.gz NTKGPHQIQCRCFH-MHZLTWQESA-N -1 3 381.453 3.961 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2O)c1ccc(F)cc1C(F)(F)F ZINC000443210520 858478440 /nfs/dbraw/zinc/47/84/40/858478440.db2.gz IFPHJZIDVSPRMA-ZDUSSCGKSA-N -1 3 375.343 3.516 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000191086772 858489810 /nfs/dbraw/zinc/48/98/10/858489810.db2.gz CWCBWZOJBXVBAK-SNVBAGLBSA-N -1 3 391.349 3.514 20 0 GHADHM Cc1sc(Br)c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1C ZINC000443266474 858515088 /nfs/dbraw/zinc/51/50/88/858515088.db2.gz CGQBPMAWJKKTCY-UHFFFAOYSA-N -1 3 377.267 3.587 20 0 GHADHM COC(=O)[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]2CCCC[C@@H]12 ZINC000595729349 858666283 /nfs/dbraw/zinc/66/62/83/858666283.db2.gz DPGKIAJCSXASJO-LZWOXQAQSA-N -1 3 395.459 3.635 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000482658483 858740790 /nfs/dbraw/zinc/74/07/90/858740790.db2.gz IYXHZKOSDXZMIM-GFCCVEGCSA-N -1 3 375.782 3.673 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000474062340 858752841 /nfs/dbraw/zinc/75/28/41/858752841.db2.gz YGIZCVRBGZAKSI-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)cc1Cl ZINC000113296377 858784420 /nfs/dbraw/zinc/78/44/20/858784420.db2.gz OMDWJELQCOLRTQ-GPCCPHFNSA-N -1 3 376.881 3.541 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]3C3CCC3)cs2)c1 ZINC000183704786 858801528 /nfs/dbraw/zinc/80/15/28/858801528.db2.gz ZTCJJYHGOVMVLQ-QGZVFWFLSA-N -1 3 399.516 3.743 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c1Cl ZINC000443488895 858821431 /nfs/dbraw/zinc/82/14/31/858821431.db2.gz SFOPZEQCRSTANN-OCCSQVGLSA-N -1 3 380.337 3.911 20 0 GHADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1c(Cl)cccc1Br ZINC000314403454 858826311 /nfs/dbraw/zinc/82/63/11/858826311.db2.gz WUEJSJJGZJJJPZ-NSHDSACASA-N -1 3 386.698 3.721 20 0 GHADHM CO[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCOC1 ZINC000596325872 858859169 /nfs/dbraw/zinc/85/91/69/858859169.db2.gz OSTFHJMBXJQOIX-BXUZGUMPSA-N -1 3 392.502 3.942 20 0 GHADHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000568073912 858861253 /nfs/dbraw/zinc/86/12/53/858861253.db2.gz QJJQIAVPEAQEPE-LJQANCHMSA-N -1 3 389.377 3.840 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482980833 859030746 /nfs/dbraw/zinc/03/07/46/859030746.db2.gz KQINXFJJFWQISM-JTQLQIEISA-N -1 3 387.431 3.884 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000766160816 859039778 /nfs/dbraw/zinc/03/97/78/859039778.db2.gz MJOTUMXUMVBAKN-UHFFFAOYSA-N -1 3 392.290 3.598 20 0 GHADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000193717783 859189506 /nfs/dbraw/zinc/18/95/06/859189506.db2.gz ZXVHYRXDIMJCRJ-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM CCC[C@@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000543302826 859203987 /nfs/dbraw/zinc/20/39/87/859203987.db2.gz WSZFEWUCRBJOHY-OAHLLOKOSA-N -1 3 382.386 3.850 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000543315829 859245564 /nfs/dbraw/zinc/24/55/64/859245564.db2.gz JEYOSPSOSQRLGQ-HNNXBMFYSA-N -1 3 388.292 3.662 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C)=C(C)C3)nc(=O)c2c1C ZINC000483367812 859318027 /nfs/dbraw/zinc/31/80/27/859318027.db2.gz BPKGADMBVKSZMS-ZDUSSCGKSA-N -1 3 375.494 3.573 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)C1 ZINC000923472024 859342169 /nfs/dbraw/zinc/34/21/69/859342169.db2.gz SXDADJTVTATOAK-NZQKXSOJSA-N -1 3 396.487 3.952 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000923468372 859344743 /nfs/dbraw/zinc/34/47/43/859344743.db2.gz UIGWCLUESMVGIG-HTAPYJJXSA-N -1 3 387.524 3.581 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000113738570 859344843 /nfs/dbraw/zinc/34/48/43/859344843.db2.gz VKBDSKWTZNAEFS-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000117263817 859373961 /nfs/dbraw/zinc/37/39/61/859373961.db2.gz RSMRLKPUISPETQ-CQSZACIVSA-N -1 3 393.484 3.607 20 0 GHADHM Cc1cccc(C(NC(=O)NCc2cnc(C)[n-]c2=O)c2cccc(C)c2)c1 ZINC000543366754 859438666 /nfs/dbraw/zinc/43/86/66/859438666.db2.gz BQHCIYDLAYJLAB-UHFFFAOYSA-N -1 3 376.460 3.696 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483544968 859440442 /nfs/dbraw/zinc/44/04/42/859440442.db2.gz QJOOPJHQUALLBT-UWVGGRQHSA-N -1 3 389.809 3.811 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000483538556 859449252 /nfs/dbraw/zinc/44/92/52/859449252.db2.gz BRBMWSHGYCHFNU-UHFFFAOYSA-N -1 3 394.184 3.619 20 0 GHADHM CCN(Cc1ccc2ccccc2c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483569327 859466109 /nfs/dbraw/zinc/46/61/09/859466109.db2.gz UQDDLOBOVYBARQ-UHFFFAOYSA-N -1 3 377.370 3.708 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000483570328 859466289 /nfs/dbraw/zinc/46/62/89/859466289.db2.gz FIZRWFOGSMNWAM-UHFFFAOYSA-N -1 3 389.381 3.736 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc(C)c(C)o3)nc(=O)c2c1C ZINC000047558516 859520457 /nfs/dbraw/zinc/52/04/57/859520457.db2.gz ITJUVHBECZXCSX-SNVBAGLBSA-N -1 3 393.490 3.928 20 0 GHADHM C[C@@H](COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000764693660 859569336 /nfs/dbraw/zinc/56/93/36/859569336.db2.gz RZZOXWPCYSTEDC-NSHDSACASA-N -1 3 385.844 3.811 20 0 GHADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000611156529 859624790 /nfs/dbraw/zinc/62/47/90/859624790.db2.gz LNUHWYIEHJSFMI-JTQLQIEISA-N -1 3 389.233 3.721 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]c1ncccc1F ZINC000194683776 859640024 /nfs/dbraw/zinc/64/00/24/859640024.db2.gz PCJCHZUJNNWZDF-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000060631934 859710073 /nfs/dbraw/zinc/71/00/73/859710073.db2.gz CJSKHFLZQOEMQY-GFCCVEGCSA-N -1 3 377.876 3.521 20 0 GHADHM C[C@@H](CCC(=O)Nc1ccc(Br)cc1[O-])NC(=O)OC(C)(C)C ZINC000765215495 859843030 /nfs/dbraw/zinc/84/30/30/859843030.db2.gz WFJLLXGLXFFMTB-JTQLQIEISA-N -1 3 387.274 3.787 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc(OC)c1C(C)C ZINC000484175597 859848434 /nfs/dbraw/zinc/84/84/34/859848434.db2.gz RMKPYEGPXDCFKF-UHFFFAOYSA-N -1 3 397.468 3.787 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000484184113 859870414 /nfs/dbraw/zinc/87/04/14/859870414.db2.gz BODLEOQSYRSWCW-OAHLLOKOSA-N -1 3 383.398 3.523 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC000484193313 859874951 /nfs/dbraw/zinc/87/49/51/859874951.db2.gz SSNXMPWSUSNGIK-JTQLQIEISA-N -1 3 391.443 3.967 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141841487 859943970 /nfs/dbraw/zinc/94/39/70/859943970.db2.gz FGXNSGXULHKSRO-UHFFFAOYSA-N -1 3 394.822 3.660 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141841487 859943975 /nfs/dbraw/zinc/94/39/75/859943975.db2.gz FGXNSGXULHKSRO-UHFFFAOYSA-N -1 3 394.822 3.660 20 0 GHADHM CC(C)OCCS(=O)(=O)[N-]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000163582558 859949988 /nfs/dbraw/zinc/94/99/88/859949988.db2.gz ZPOQKBWDVCIKCV-UHFFFAOYSA-N -1 3 399.557 3.621 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3cccnc3)cc2)cc1 ZINC000053246719 859950431 /nfs/dbraw/zinc/95/04/31/859950431.db2.gz BLOFTHKLYTVYCP-UHFFFAOYSA-N -1 3 382.445 3.835 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(C)(C)C)c(F)c1 ZINC000921516396 859999060 /nfs/dbraw/zinc/99/90/60/859999060.db2.gz OYWCXNBOLWISQO-UHFFFAOYSA-N -1 3 394.450 3.758 20 0 GHADHM CN1CC[C@H](CSc2n[n-]c(=Nc3cccc(Br)c3)s2)C1 ZINC000484492532 860032566 /nfs/dbraw/zinc/03/25/66/860032566.db2.gz AJRUWZYRHNSDNR-JTQLQIEISA-N -1 3 385.356 3.510 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)s1 ZINC000010625554 860037994 /nfs/dbraw/zinc/03/79/94/860037994.db2.gz ADZLAJARUNFGFY-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@@H]1CCCC[C@@H]1C ZINC000727320109 860044941 /nfs/dbraw/zinc/04/49/41/860044941.db2.gz JLLSXIQVSXAEMB-WMLDXEAASA-N -1 3 384.517 3.553 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000115067614 860049154 /nfs/dbraw/zinc/04/91/54/860049154.db2.gz PVFVPEYLLZYPNQ-UHFFFAOYSA-N -1 3 396.501 3.547 20 0 GHADHM C[C@@H]1CCC[C@H]([C@@H](CNCc2csc(-c3ccn(C)n3)n2)CC(=O)[O-])C1 ZINC000904033130 860051376 /nfs/dbraw/zinc/05/13/76/860051376.db2.gz QXDVNPSNMIUIGM-QLFBSQMISA-N -1 3 376.526 3.550 20 0 GHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cccc(Br)c2OC(F)F)C1 ZINC000904035339 860053785 /nfs/dbraw/zinc/05/37/85/860053785.db2.gz KVNYXDFDYFEOPS-MWLCHTKSSA-N -1 3 376.197 3.560 20 0 GHADHM CC(C)OC[C@H](NCc1cc(F)ccc1Oc1cncc(Cl)c1)C(=O)[O-] ZINC000904025265 860066459 /nfs/dbraw/zinc/06/64/59/860066459.db2.gz DSJWPCOSXSECNN-INIZCTEOSA-N -1 3 382.819 3.634 20 0 GHADHM CCc1cc2c(CN3CCO[C@@H](c4ccccc4F)C3)cc(=O)oc2cc1[O-] ZINC000727435043 860076523 /nfs/dbraw/zinc/07/65/23/860076523.db2.gz MQFMADANWLEQBY-OAQYLSRUSA-N -1 3 383.419 3.774 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)c1ccc(F)cc1 ZINC000525924610 860134816 /nfs/dbraw/zinc/13/48/16/860134816.db2.gz UTVKMMZXGMCCDN-UHFFFAOYSA-N -1 3 392.430 3.719 20 0 GHADHM Cc1cccc(C(=O)N2CCCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c1 ZINC000525924531 860134880 /nfs/dbraw/zinc/13/48/80/860134880.db2.gz ZLQJJVOCCUTCMI-UHFFFAOYSA-N -1 3 388.467 3.842 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000527468247 860181385 /nfs/dbraw/zinc/18/13/85/860181385.db2.gz ZHQUREJGMPQSKT-HXOBKFHXSA-N -1 3 390.483 3.565 20 0 GHADHM C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527475144 860181421 /nfs/dbraw/zinc/18/14/21/860181421.db2.gz FVGNSEONIJAUPR-BXKMTCNYSA-N -1 3 391.467 3.728 20 0 GHADHM CC(C)n1nnnc1S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018385963 860205445 /nfs/dbraw/zinc/20/54/45/860205445.db2.gz GMYLIVBPFWQHBA-SECBINFHSA-N -1 3 388.478 3.665 20 0 GHADHM CC(C)[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Nc1ccccc1 ZINC000904207353 860209438 /nfs/dbraw/zinc/20/94/38/860209438.db2.gz NPXQPPXFJGGFAL-HXUWFJFHSA-N -1 3 385.508 3.807 20 0 GHADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC000904196381 860224586 /nfs/dbraw/zinc/22/45/86/860224586.db2.gz YJYODWXEGLHVMX-RTBURBONSA-N -1 3 392.540 3.996 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000602745524 860235476 /nfs/dbraw/zinc/23/54/76/860235476.db2.gz HNJSEYVSICTNPE-DGCLKSJQSA-N -1 3 377.282 3.941 20 0 GHADHM CCc1ccc(-c2nc(-c3ccc(C4(S(C)(=O)=O)CC4)cc3)no2)c([O-])c1 ZINC000904220424 860242801 /nfs/dbraw/zinc/24/28/01/860242801.db2.gz AUMNCTDNJCALNV-UHFFFAOYSA-N -1 3 384.457 3.705 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904227517 860252205 /nfs/dbraw/zinc/25/22/05/860252205.db2.gz DDURTZMABGXFCJ-VLIAUNLRSA-N -1 3 390.455 3.586 20 0 GHADHM Cc1cc(OCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC000024884540 860354523 /nfs/dbraw/zinc/35/45/23/860354523.db2.gz RCZSBWYYJAAUSR-UHFFFAOYSA-N -1 3 376.478 3.507 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000484800310 860359074 /nfs/dbraw/zinc/35/90/74/860359074.db2.gz XTWIIFWNNBKCPG-JQWIXIFHSA-N -1 3 385.835 3.996 20 0 GHADHM COCCOc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1OC ZINC000024955786 860364224 /nfs/dbraw/zinc/36/42/24/860364224.db2.gz NUDQENIBAKDMJQ-UHFFFAOYSA-N -1 3 379.478 3.645 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3O[C@H](C)C[C@@H]3C)cc2)cc1 ZINC000499993889 860432321 /nfs/dbraw/zinc/43/23/21/860432321.db2.gz CIUOTKYQDNJFMG-QMTMVMCOSA-N -1 3 388.489 3.548 20 0 GHADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598689220 860518588 /nfs/dbraw/zinc/51/85/88/860518588.db2.gz DQVIFZIABYDREW-RPHGYIDUSA-N -1 3 385.407 3.982 20 0 GHADHM Cc1ccc(NC(=O)c2ccncc2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000474636341 860540090 /nfs/dbraw/zinc/54/00/90/860540090.db2.gz DGXBMERKGYOOCD-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM O=C([O-])c1ccc2c(c1)CN(CCOc1ccc(Br)cc1)CC2 ZINC000391239785 860569039 /nfs/dbraw/zinc/56/90/39/860569039.db2.gz GRIJBHOBZPDYQQ-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2ccccc21 ZINC000026847734 860601064 /nfs/dbraw/zinc/60/10/64/860601064.db2.gz LCCSTPCWIOHXCK-GFCCVEGCSA-N -1 3 385.316 3.723 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)c1cc2ccccc2o1 ZINC000509046086 860668355 /nfs/dbraw/zinc/66/83/55/860668355.db2.gz ALCJZQNKVJGFOS-AWEZNQCLSA-N -1 3 386.398 3.811 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000125447362 860671724 /nfs/dbraw/zinc/67/17/24/860671724.db2.gz RNMRNZHBHYDEMQ-AWEZNQCLSA-N -1 3 393.484 3.749 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000098073999 860714845 /nfs/dbraw/zinc/71/48/45/860714845.db2.gz BAQFMOUZFPZNMT-NSHDSACASA-N -1 3 379.334 3.636 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4ccccc4F)CC3)c2)n1 ZINC000129699866 860781401 /nfs/dbraw/zinc/78/14/01/860781401.db2.gz OYVJMKCQERIUDN-UHFFFAOYSA-N -1 3 377.419 3.809 20 0 GHADHM O=C(C[S@](=O)c1ccc([O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000170973633 860795383 /nfs/dbraw/zinc/79/53/83/860795383.db2.gz SSEYEAAUVZKHPZ-DEOSSOPVSA-N -1 3 377.771 3.811 20 0 GHADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000176433644 860874159 /nfs/dbraw/zinc/87/41/59/860874159.db2.gz YNBGMYOKMOKAFI-UHFFFAOYSA-N -1 3 377.194 3.892 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000481273523 860899197 /nfs/dbraw/zinc/89/91/97/860899197.db2.gz OSLPNDOHZCWPAN-UHFFFAOYSA-N -1 3 393.316 3.601 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1C(F)(F)F ZINC000329060504 860983359 /nfs/dbraw/zinc/98/33/59/860983359.db2.gz JJDKZHBUAHUJES-UHTWSYAYSA-N -1 3 383.819 3.595 20 0 GHADHM CC[C@]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)(C(=O)OC)c1ccccc1 ZINC000730421370 861104230 /nfs/dbraw/zinc/10/42/30/861104230.db2.gz VOUFJKQHBPZZEM-FNDLEWIFSA-N -1 3 393.892 3.709 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000623489392 861113531 /nfs/dbraw/zinc/11/35/31/861113531.db2.gz POVMWEHKGBAART-CYBMUJFWSA-N -1 3 383.835 3.761 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@@H]3OCc3ccccc3)nc2)n1 ZINC000152564610 881616108 /nfs/dbraw/zinc/61/61/08/881616108.db2.gz SEGWFVHLUDWNMG-UXHICEINSA-N -1 3 390.487 3.944 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000177177277 861170578 /nfs/dbraw/zinc/17/05/78/861170578.db2.gz PAUDLYNQCLVFFE-UHFFFAOYSA-N 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863386020 /nfs/dbraw/zinc/38/60/20/863386020.db2.gz CXARMSPJRAGFSN-ZDUSSCGKSA-N -1 3 393.281 3.730 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000522814200 863436504 /nfs/dbraw/zinc/43/65/04/863436504.db2.gz KKFALBDHVXWRPN-SFHVURJKSA-N -1 3 390.277 3.931 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(O[C@H](C)CC)c3)c2)n1 ZINC000183098116 863470492 /nfs/dbraw/zinc/47/04/92/863470492.db2.gz ZQMFHQXEOQKPAW-CQSZACIVSA-N -1 3 392.459 3.824 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1 ZINC000606343622 863524511 /nfs/dbraw/zinc/52/45/11/863524511.db2.gz PXBNJROCLGPUDX-UHFFFAOYSA-N -1 3 375.368 3.746 20 0 GHADHM Clc1ccccc1COc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000499239863 881680051 /nfs/dbraw/zinc/68/00/51/881680051.db2.gz QQYHNGGOCDEXLL-UHFFFAOYSA-N -1 3 383.883 3.991 20 0 GHADHM Clc1ccccc1COc1cccc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000499239863 881680064 /nfs/dbraw/zinc/68/00/64/881680064.db2.gz QQYHNGGOCDEXLL-UHFFFAOYSA-N -1 3 383.883 3.991 20 0 GHADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c(-c2cccs2)n1 ZINC000158735726 863937746 /nfs/dbraw/zinc/93/77/46/863937746.db2.gz VJQQEMUVXNMZHQ-UHFFFAOYSA-N -1 3 378.251 3.869 20 0 GHADHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(SC)ccc1[O-] ZINC000667619747 864051055 /nfs/dbraw/zinc/05/10/55/864051055.db2.gz KUXMKVYNZFIRPF-MRXNPFEDSA-N -1 3 387.501 3.944 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cc(F)c(F)cc1Br ZINC000554305658 864093690 /nfs/dbraw/zinc/09/36/90/864093690.db2.gz MJYPTCPMTVECFI-UHFFFAOYSA-N -1 3 389.171 3.571 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OCC(F)F)cc3)c[n-]c12 ZINC000532283766 881730529 /nfs/dbraw/zinc/73/05/29/881730529.db2.gz UOXJBSJSBSKZRT-UHFFFAOYSA-N -1 3 376.334 3.872 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1OCC ZINC000480192635 864217250 /nfs/dbraw/zinc/21/72/50/864217250.db2.gz CNTJSKBSYBOUGM-UHFFFAOYSA-N -1 3 391.276 3.987 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C)CCC4(CC3)OCCO4)nc2)n1 ZINC000896985262 864234639 /nfs/dbraw/zinc/23/46/39/864234639.db2.gz 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O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000607685118 864640115 /nfs/dbraw/zinc/64/01/15/864640115.db2.gz MHECCVDTLFYNOY-GUYCJALGSA-N -1 3 397.272 3.652 20 0 GHADHM CC(C)C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000043715807 864683970 /nfs/dbraw/zinc/68/39/70/864683970.db2.gz ISADZFIEBDWXSE-OAQYLSRUSA-N -1 3 395.503 3.647 20 0 GHADHM CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622051627 864735918 /nfs/dbraw/zinc/73/59/18/864735918.db2.gz KLWIBLQUCGHCRN-UHFFFAOYSA-N -1 3 386.414 3.664 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cc(Cl)ccc2F)ccc1F ZINC000735456361 864793406 /nfs/dbraw/zinc/79/34/06/864793406.db2.gz SAEYIUNPXZYPJD-UHFFFAOYSA-N -1 3 389.807 3.524 20 0 GHADHM CC(C)(C)c1nc2cc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)ccc2o1 ZINC000480559407 864864197 /nfs/dbraw/zinc/86/41/97/864864197.db2.gz DAVGMCBJRGMSIW-UHFFFAOYSA-N -1 3 382.346 3.584 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000607929906 864868449 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COc1cc[n-]c(=NNC(=O)c2cc(Cl)ccc2SC2CCCC2)n1 ZINC000185042479 865139890 /nfs/dbraw/zinc/13/98/90/865139890.db2.gz AUHVDISARBFTAZ-UHFFFAOYSA-N -1 3 378.885 3.930 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000736238045 865157790 /nfs/dbraw/zinc/15/77/90/865157790.db2.gz ACXAURDKPLLMGJ-LBTNJELSSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000736238045 865157800 /nfs/dbraw/zinc/15/78/00/865157800.db2.gz ACXAURDKPLLMGJ-LBTNJELSSA-N -1 3 395.463 3.593 20 0 GHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000550791420 881843302 /nfs/dbraw/zinc/84/33/02/881843302.db2.gz KJPMTZWAWJZQQE-DEOSSOPVSA-N -1 3 394.905 3.568 20 0 GHADHM C[C@H]1Cc2ccccc2CN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736296067 865177575 /nfs/dbraw/zinc/17/75/75/865177575.db2.gz CNDMLSKXJGOYFT-NSHDSACASA-N -1 3 384.896 3.664 20 0 GHADHM C[C@H]1Cc2ccccc2CN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736296067 865177579 /nfs/dbraw/zinc/17/75/79/865177579.db2.gz CNDMLSKXJGOYFT-NSHDSACASA-N -1 3 384.896 3.664 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([O-])ccc1Cl ZINC000554940193 865210357 /nfs/dbraw/zinc/21/03/57/865210357.db2.gz BQNIREPFRZLJQC-UHFFFAOYSA-N -1 3 376.840 3.545 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC([C@@H](O)c4ccccc4)CC3)nc2)n1 ZINC000301191166 865216416 /nfs/dbraw/zinc/21/64/16/865216416.db2.gz WJTSMCZWAKRBLD-QFIPXVFZSA-N -1 3 390.487 3.757 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(Cn4cccn4)c3)nc2)n1 ZINC000301194739 865217180 /nfs/dbraw/zinc/21/71/80/865217180.db2.gz YFVQCZYMPWRZKE-UHFFFAOYSA-N -1 3 386.459 3.664 20 0 GHADHM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533973336 865271577 /nfs/dbraw/zinc/27/15/77/865271577.db2.gz CXAHVSNYYGCMSA-MRXNPFEDSA-N -1 3 393.846 3.791 20 0 GHADHM CN(C)[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1Cl ZINC000736761795 865274489 /nfs/dbraw/zinc/27/44/89/865274489.db2.gz UNBFSVTZKPCKDU-IBGZPJMESA-N -1 3 393.882 3.783 20 0 GHADHM Cn1cc([C@H]2CSCCN2C(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000191985630 865288335 /nfs/dbraw/zinc/28/83/35/865288335.db2.gz RNWXVOXAAWRHDS-HXUWFJFHSA-N -1 3 393.512 3.647 20 0 GHADHM O=C(OCCCSCc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000761384810 865334838 /nfs/dbraw/zinc/33/48/38/865334838.db2.gz MQJFLQIEUICPRU-LJQANCHMSA-N -1 3 399.512 3.864 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000737027006 865351291 /nfs/dbraw/zinc/35/12/91/865351291.db2.gz WRALWDBMOXOKPA-CYBMUJFWSA-N -1 3 398.850 3.944 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000737027006 865351309 /nfs/dbraw/zinc/35/13/09/865351309.db2.gz WRALWDBMOXOKPA-CYBMUJFWSA-N -1 3 398.850 3.944 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000480832046 865374171 /nfs/dbraw/zinc/37/41/71/865374171.db2.gz JWTWTEKYTVKLSN-CJNGLKHVSA-N -1 3 389.293 3.720 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=COCCC1 ZINC000737269737 865384079 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GHADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cnc(Cl)c(Cl)c1 ZINC000738365137 865546420 /nfs/dbraw/zinc/54/64/20/865546420.db2.gz XLTCJFFPFHBTCI-LBPRGKRZSA-N -1 3 393.679 3.844 20 0 GHADHM Cc1oc([C@H](C)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1C(=O)[O-] ZINC000516656531 865581411 /nfs/dbraw/zinc/58/14/11/865581411.db2.gz HVSCAZMYMZSVQA-CMPLNLGQSA-N -1 3 385.386 3.979 20 0 GHADHM CC(C)(C)OCCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000063967697 865759315 /nfs/dbraw/zinc/75/93/15/865759315.db2.gz VUXDLIYTYUSTCO-IBGZPJMESA-N -1 3 385.460 3.612 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000739695450 865780421 /nfs/dbraw/zinc/78/04/21/865780421.db2.gz VFRKZOAAPWDZPF-NEPJUHHUSA-N -1 3 399.285 3.787 20 0 GHADHM CCc1ccc([C@@H]2CN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)CCO2)cc1 ZINC000302726375 865893413 /nfs/dbraw/zinc/89/34/13/865893413.db2.gz PHGQBLIHNFEBJE-FQEVSTJZSA-N -1 3 390.487 3.947 20 0 GHADHM CC(C)n1cc(C2=CCCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)nn1 ZINC000623029473 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379.478 3.990 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000552780591 866250146 /nfs/dbraw/zinc/25/01/46/866250146.db2.gz HITVYPFDSXQNDU-CYBMUJFWSA-N -1 3 376.815 3.676 20 0 GHADHM CSc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)cc1Cl ZINC000121202696 881965312 /nfs/dbraw/zinc/96/53/12/881965312.db2.gz FJKMNLLDIWEOLC-UHFFFAOYSA-N -1 3 399.299 3.581 20 0 GHADHM CC(C)c1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000920280466 881988182 /nfs/dbraw/zinc/98/81/82/881988182.db2.gz JFCGAEZNKKKWBX-UHFFFAOYSA-N -1 3 390.480 3.666 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000741610663 866659225 /nfs/dbraw/zinc/65/92/25/866659225.db2.gz LWOVBCJMTDKNQF-ZIAGYGMSSA-N -1 3 384.517 3.553 20 0 GHADHM O=C(Nc1cccc2cc(Br)cnc21)c1cc(F)cc2n[n-]nc21 ZINC000553148387 866883248 /nfs/dbraw/zinc/88/32/48/866883248.db2.gz PAZIYEURJHDTIT-UHFFFAOYSA-N -1 3 386.184 3.660 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640295847 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395.619 3.701 20 0 GHADHM C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccccc1[O-] ZINC000154285322 867336433 /nfs/dbraw/zinc/33/64/33/867336433.db2.gz VQCJZLHEIRLYNS-YVEFUNNKSA-N -1 3 376.250 3.757 20 0 GHADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(Br)cc1[O-] ZINC000534788800 867491890 /nfs/dbraw/zinc/49/18/90/867491890.db2.gz GSFSPIYDUAGAMB-SNVBAGLBSA-N -1 3 378.222 3.668 20 0 GHADHM O=S(=O)([N-]c1ccncc1F)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000534799058 867534507 /nfs/dbraw/zinc/53/45/07/867534507.db2.gz DICPGKHXRRGRHJ-UHFFFAOYSA-N -1 3 378.812 3.889 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)c(F)c1 ZINC000479372143 867643607 /nfs/dbraw/zinc/64/36/07/867643607.db2.gz DIHIZBHEHSRNEJ-UHFFFAOYSA-N -1 3 379.453 3.765 20 0 GHADHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)sc1-c1cccc(Cl)c1 ZINC000523695168 867797354 /nfs/dbraw/zinc/79/73/54/867797354.db2.gz YUPAJRWMKPNTBI-CQSZACIVSA-N -1 3 375.881 3.619 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)c1nc(Cc2cccc3ccccc32)no1 ZINC000923809218 867916463 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GHADHM CCOC(=O)c1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000121693538 882223335 /nfs/dbraw/zinc/22/33/35/882223335.db2.gz VFYDGQKPWYOCKZ-UHFFFAOYSA-N -1 3 377.809 3.881 20 0 GHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@H](C)C3)n2)c1 ZINC000554128431 868769094 /nfs/dbraw/zinc/76/90/94/868769094.db2.gz KGFOWLWTAZNQNS-ABSDTBQOSA-N -1 3 396.535 3.504 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c2)c1 ZINC000524261960 868809336 /nfs/dbraw/zinc/80/93/36/868809336.db2.gz HFYCXYTZKJRJPU-UHFFFAOYSA-N -1 3 385.423 3.867 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000479999732 868884561 /nfs/dbraw/zinc/88/45/61/868884561.db2.gz QFFVQSNWGUZUFU-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000744725878 869029756 /nfs/dbraw/zinc/02/97/56/869029756.db2.gz PYYCRFAMJKLJOT-SJKOYZFVSA-N -1 3 375.371 3.579 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Sc1ccc(C)cc1C)c1ccccc1 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CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618789491 871992251 /nfs/dbraw/zinc/99/22/51/871992251.db2.gz ZZRZFNIMMIGDNB-FQEVSTJZSA-N -1 3 380.419 3.660 20 0 GHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC001194863111 871995160 /nfs/dbraw/zinc/99/51/60/871995160.db2.gz BJYHCFNDBVRERB-UHFFFAOYSA-N -1 3 391.489 3.527 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000552100070 872057545 /nfs/dbraw/zinc/05/75/45/872057545.db2.gz YNYDERRLJDOVKP-DGCLKSJQSA-N -1 3 383.819 3.595 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3F)sc1Br ZINC001194984821 872089222 /nfs/dbraw/zinc/08/92/22/872089222.db2.gz XRCNAWGAHKVUPR-GFCCVEGCSA-N -1 3 390.299 3.924 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1F ZINC001194991503 872093998 /nfs/dbraw/zinc/09/39/98/872093998.db2.gz JTPDPOFFMPVYNJ-UHFFFAOYSA-N -1 3 396.443 3.697 20 0 GHADHM CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])ccc1Cl ZINC001271915584 872127566 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CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000619028906 872243845 /nfs/dbraw/zinc/24/38/45/872243845.db2.gz MATCREGGOVNSHY-AOOOYVTPSA-N -1 3 398.303 3.554 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000526959056 872360542 /nfs/dbraw/zinc/36/05/42/872360542.db2.gz DWZCSCKJLYJDJV-HNNXBMFYSA-N -1 3 380.473 3.936 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000619153637 872361779 /nfs/dbraw/zinc/36/17/79/872361779.db2.gz SBJVHVFSCUMOTE-UWVGGRQHSA-N -1 3 392.299 3.731 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccccc1 ZINC001195461635 872404564 /nfs/dbraw/zinc/40/45/64/872404564.db2.gz UYAUJNSAMHGYFA-UHFFFAOYSA-N -1 3 396.472 3.991 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccccc1 ZINC001195461635 872404575 /nfs/dbraw/zinc/40/45/75/872404575.db2.gz UYAUJNSAMHGYFA-UHFFFAOYSA-N -1 3 396.472 3.991 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC([O-])=NO[C@H]1CCCCO1 ZINC000775666320 872530919 /nfs/dbraw/zinc/53/09/19/872530919.db2.gz IFUYOGMMIREVPP-INIZCTEOSA-N -1 3 377.441 3.564 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775666320 872530931 /nfs/dbraw/zinc/53/09/31/872530931.db2.gz IFUYOGMMIREVPP-INIZCTEOSA-N -1 3 377.441 3.564 20 0 GHADHM Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1ccccc1[O-] ZINC000540954222 872559702 /nfs/dbraw/zinc/55/97/02/872559702.db2.gz LRCMZWFEAZDFNW-LJQANCHMSA-N -1 3 395.434 3.548 20 0 GHADHM O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2n[n-]nc21 ZINC000540963197 872581331 /nfs/dbraw/zinc/58/13/31/872581331.db2.gz XFFQTTDISVSOCP-UHFFFAOYSA-N -1 3 394.438 3.741 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)ccn1 ZINC000447965048 872621712 /nfs/dbraw/zinc/62/17/12/872621712.db2.gz NZUIAOQZXGVTRM-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)[n-]1 ZINC000619446646 872635460 /nfs/dbraw/zinc/63/54/60/872635460.db2.gz RTBOAEHZVDLHAJ-UHFFFAOYSA-N -1 3 378.432 3.881 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c[n-]1 ZINC000619446646 872635468 /nfs/dbraw/zinc/63/54/68/872635468.db2.gz RTBOAEHZVDLHAJ-UHFFFAOYSA-N -1 3 378.432 3.881 20 0 GHADHM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000552423446 872658810 /nfs/dbraw/zinc/65/88/10/872658810.db2.gz HYNREZUZZAUYCG-SFHVURJKSA-N -1 3 398.260 3.567 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)[n-]1 ZINC000619449677 872666744 /nfs/dbraw/zinc/66/67/44/872666744.db2.gz QUZATSXOXFLFAL-UHFFFAOYSA-N -1 3 395.415 3.705 20 0 GHADHM CCOC(=O)c1nc(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)c[n-]1 ZINC000619449677 872666753 /nfs/dbraw/zinc/66/67/53/872666753.db2.gz QUZATSXOXFLFAL-UHFFFAOYSA-N -1 3 395.415 3.705 20 0 GHADHM Cc1cn(-c2cc([N-]S(=O)(=O)c3ccc(O)cc3)cc(C(F)(F)F)c2)cn1 ZINC001195795966 872668796 /nfs/dbraw/zinc/66/87/96/872668796.db2.gz JTCODVXKHOJDCL-UHFFFAOYSA-N -1 3 397.378 3.706 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195802613 872673920 /nfs/dbraw/zinc/67/39/20/872673920.db2.gz HAEOZUXXNGZDDY-UHFFFAOYSA-N -1 3 378.450 3.564 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195802613 872673928 /nfs/dbraw/zinc/67/39/28/872673928.db2.gz HAEOZUXXNGZDDY-UHFFFAOYSA-N -1 3 378.450 3.564 20 0 GHADHM O=S(=O)(Nc1cc(Br)c(F)cc1Cl)c1ccc([O-])cc1 ZINC001195806820 872676833 /nfs/dbraw/zinc/67/68/33/872676833.db2.gz PMKNLYSGXFCSHQ-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1F ZINC001195811281 872681944 /nfs/dbraw/zinc/68/19/44/872681944.db2.gz WGCFWQDFSUBNDR-UHFFFAOYSA-N -1 3 382.413 3.679 20 0 GHADHM Cc1ccc(NS(=O)(=O)c2ccc([O-])cc2)c(Br)c1Cl ZINC001195811241 872682509 /nfs/dbraw/zinc/68/25/09/872682509.db2.gz ULAFDJDHMPXTHM-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1F ZINC000191878493 882652289 /nfs/dbraw/zinc/65/22/89/882652289.db2.gz CKRMJMUJPAEAQR-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM Cc1ccc(C(=O)N2CC[C@H]2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000619650767 872846855 /nfs/dbraw/zinc/84/68/55/872846855.db2.gz STNYAMFPYVAZGB-GFCCVEGCSA-N -1 3 396.871 3.823 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)nc1Cl ZINC000767861364 872898077 /nfs/dbraw/zinc/89/80/77/872898077.db2.gz DREFWFBSBQUUNG-NSHDSACASA-N -1 3 379.309 3.549 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000122700868 882669186 /nfs/dbraw/zinc/66/91/86/882669186.db2.gz DXTIDQLALGAMSI-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000122700868 882669202 /nfs/dbraw/zinc/66/92/02/882669202.db2.gz DXTIDQLALGAMSI-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)nc3)co2)cc1 ZINC000541118713 872986321 /nfs/dbraw/zinc/98/63/21/872986321.db2.gz PQLXZTSATOILNV-UHFFFAOYSA-N -1 3 397.378 3.542 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccc(F)cc1)c1cccc(Br)n1 ZINC001196341824 873042621 /nfs/dbraw/zinc/04/26/21/873042621.db2.gz VHNNWDOWQPZEKT-CQSZACIVSA-N -1 3 399.285 3.803 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCCc2ccccc21)c1cccc(Br)n1 ZINC001196344311 873045719 /nfs/dbraw/zinc/04/57/19/873045719.db2.gz MZDPEJLWCSEMKA-CQSZACIVSA-N -1 3 381.295 3.590 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2F)c(Br)cc1F ZINC001196388015 873067892 /nfs/dbraw/zinc/06/78/92/873067892.db2.gz XZNJDSCGCIGDQU-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1 ZINC000552712705 873072438 /nfs/dbraw/zinc/07/24/38/873072438.db2.gz PVSJVVRYRDWCDM-UHFFFAOYSA-N -1 3 392.427 3.911 20 0 GHADHM CCOC(=O)[C@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000527469625 873169001 /nfs/dbraw/zinc/16/90/01/873169001.db2.gz LVYZLLQIAMCVJA-HSZRJFAPSA-N -1 3 377.440 3.796 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)CCc3ccccc3O)cc2)cc(=O)[n-]1 ZINC000541260964 873229672 /nfs/dbraw/zinc/22/96/72/873229672.db2.gz CFFPEFDVSLDBTP-UHFFFAOYSA-N -1 3 378.432 3.570 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000122772916 882703800 /nfs/dbraw/zinc/70/38/00/882703800.db2.gz JRRJTRFNMQKBEA-STQMWFEESA-N -1 3 398.406 3.819 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1CNC(=O)OC(C)(C)C ZINC001196671568 873301874 /nfs/dbraw/zinc/30/18/74/873301874.db2.gz OEMNSASYIYMKEH-UHFFFAOYSA-N -1 3 384.432 3.872 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(C(F)(F)F)ccc2Cl)c1 ZINC001196779968 873387284 /nfs/dbraw/zinc/38/72/84/873387284.db2.gz JQJCCEZLISJIOL-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccnc(Cl)c3N)nc(=O)c2c1C ZINC000768567324 873393302 /nfs/dbraw/zinc/39/33/02/873393302.db2.gz WTYDADZZTXLKMX-SSDOTTSWSA-N -1 3 378.841 3.562 20 0 GHADHM CCNc1nc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000768661844 873484756 /nfs/dbraw/zinc/48/47/56/873484756.db2.gz VDGAMQYVULZKDE-QMMMGPOBSA-N -1 3 378.479 3.820 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000537646608 882738676 /nfs/dbraw/zinc/73/86/76/882738676.db2.gz ZWBGCMXHCSJCIZ-UHFFFAOYSA-N -1 3 396.422 3.777 20 0 GHADHM Cc1noc(C)c1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000769052080 873789893 /nfs/dbraw/zinc/78/98/93/873789893.db2.gz LFRZIUWWWNRZKF-UHFFFAOYSA-N -1 3 376.210 3.801 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cn1 ZINC001197413675 873798135 /nfs/dbraw/zinc/79/81/35/873798135.db2.gz AYXFJBDXEAVXRE-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1cccc(Br)c1Cl)C2 ZINC001197466914 873821791 /nfs/dbraw/zinc/82/17/91/873821791.db2.gz BPIZTJOHGHUFRE-UHFFFAOYSA-N -1 3 380.673 3.991 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c(OC)c1 ZINC001197529563 873857606 /nfs/dbraw/zinc/85/76/06/873857606.db2.gz QQPHPIGMVQUDHX-UHFFFAOYSA-N -1 3 376.261 3.953 20 0 GHADHM CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)Cc3nc(=O)n(C)[n-]3)c2)cc1 ZINC000541578514 873898678 /nfs/dbraw/zinc/89/86/78/873898678.db2.gz PUBDTAINWWNFIM-MRXNPFEDSA-N -1 3 380.492 3.756 20 0 GHADHM COc1ccc(CO)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC001197723112 874007611 /nfs/dbraw/zinc/00/76/11/874007611.db2.gz JNQVCDSPXOVHKS-UHFFFAOYSA-N -1 3 379.412 3.724 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528102795 874020468 /nfs/dbraw/zinc/02/04/68/874020468.db2.gz MSTUFOGEWKFXOA-IAGOWNOFSA-N -1 3 394.240 3.944 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1cccc2c(Br)cccc12 ZINC001197780716 874043494 /nfs/dbraw/zinc/04/34/94/874043494.db2.gz VBIVGIJIYUVYNA-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448917707 874206475 /nfs/dbraw/zinc/20/64/75/874206475.db2.gz LWFIONRJQFHCTM-PWSUYJOCSA-N -1 3 378.416 3.842 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528350440 874449514 /nfs/dbraw/zinc/44/95/14/874449514.db2.gz CEUPVYQYAXFNOZ-DLBZAZTESA-N -1 3 376.250 3.805 20 0 GHADHM CCNc1ncc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000770097755 874457283 /nfs/dbraw/zinc/45/72/83/874457283.db2.gz JMSFQVVCUZQBAG-MRVPVSSYSA-N -1 3 378.479 3.820 20 0 GHADHM Cc1ccc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000770225752 874533237 /nfs/dbraw/zinc/53/32/37/874533237.db2.gz DGETYNOBIQUPFR-UHFFFAOYSA-N -1 3 376.497 3.810 20 0 GHADHM COc1ccc(C[C@@H](C)NC(=O)c2cc([O-])cc(Br)c2)cc1OC ZINC000528456858 874585233 /nfs/dbraw/zinc/58/52/33/874585233.db2.gz HHBBRDRSYXZMQV-LLVKDONJSA-N -1 3 394.265 3.533 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)c(F)c1 ZINC001198710111 874599456 /nfs/dbraw/zinc/59/94/56/874599456.db2.gz HXLDOPIUZKTOKL-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cccc2ccccc21 ZINC001198711909 874600838 /nfs/dbraw/zinc/60/08/38/874600838.db2.gz INQFOFQMFOHBDC-GFCCVEGCSA-N -1 3 376.865 3.936 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)O1 ZINC000464851798 874638928 /nfs/dbraw/zinc/63/89/28/874638928.db2.gz AXBGJELOHLAXNH-IEBWSBKVSA-N -1 3 388.489 3.692 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(F)c2)c(C)c1 ZINC001198896411 874680075 /nfs/dbraw/zinc/68/00/75/874680075.db2.gz OSYBRDJRUJWVFC-UHFFFAOYSA-N -1 3 379.331 3.842 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CCCCCCC2)cc1Cl ZINC000104732231 874694628 /nfs/dbraw/zinc/69/46/28/874694628.db2.gz BFSGHPRUKBBOLR-UHFFFAOYSA-N -1 3 376.881 3.829 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000464890177 874721673 /nfs/dbraw/zinc/72/16/73/874721673.db2.gz FFOXWVRNODDDAT-UHFFFAOYSA-N -1 3 381.407 3.686 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Cc1cccc(Cl)c1 ZINC000464908880 874761937 /nfs/dbraw/zinc/76/19/37/874761937.db2.gz VZWWWKMRBWTVMU-UHFFFAOYSA-N -1 3 385.851 3.614 20 0 GHADHM COc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC001199167863 874834968 /nfs/dbraw/zinc/83/49/68/874834968.db2.gz XLSKLYKURHEAGI-UHFFFAOYSA-N -1 3 392.337 3.561 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000528679221 874877679 /nfs/dbraw/zinc/87/76/79/874877679.db2.gz IKRXVFVYGAZNAF-OAHLLOKOSA-N -1 3 390.277 3.834 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c(C)c1F ZINC000542103400 874961911 /nfs/dbraw/zinc/96/19/11/874961911.db2.gz WVZXVIQQFRHMMG-UHFFFAOYSA-N -1 3 392.496 3.915 20 0 GHADHM [O-]c1cccc(Br)c1NC(=S)Nc1ccc2c(c1)OCCO2 ZINC001199699690 875156017 /nfs/dbraw/zinc/15/60/17/875156017.db2.gz OHNHRIQCIDILRO-UHFFFAOYSA-N -1 3 381.251 3.735 20 0 GHADHM Cc1ccc(CNC(=O)NCc2cnc(C)[n-]c2=O)c(O[C@H](C)CC(C)C)c1 ZINC000542270141 875303192 /nfs/dbraw/zinc/30/31/92/875303192.db2.gz VKRUSMKQNOCURK-OAHLLOKOSA-N -1 3 386.496 3.612 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)[nH][n-]1 ZINC000528962124 875351173 /nfs/dbraw/zinc/35/11/73/875351173.db2.gz BZJWHJFTZCRJGR-ZDUSSCGKSA-N -1 3 389.381 3.538 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ncccc1C ZINC001201018609 875441934 /nfs/dbraw/zinc/44/19/34/875441934.db2.gz IVMHAMYUTDJTOS-CYBMUJFWSA-N -1 3 387.274 3.721 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000529040966 875469908 /nfs/dbraw/zinc/46/99/08/875469908.db2.gz PDDZWLGQKIIUMP-NVXWUHKLSA-N -1 3 376.250 3.805 20 0 GHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000134553582 882936045 /nfs/dbraw/zinc/93/60/45/882936045.db2.gz VUCRQHRCQFDNPC-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC001201082288 875514164 /nfs/dbraw/zinc/51/41/64/875514164.db2.gz VHINIPCSECKLKL-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)[N-]OCc1ccccc1 ZINC000772173755 875767512 /nfs/dbraw/zinc/76/75/12/875767512.db2.gz CLCVARYLMORLMQ-UHFFFAOYSA-N -1 3 397.450 3.593 20 0 GHADHM CCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H](O)c1ccccc1 ZINC000529225111 875858180 /nfs/dbraw/zinc/85/81/80/875858180.db2.gz XFWCTNAJTRUZBO-DLBZAZTESA-N -1 3 378.266 3.787 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2sccc21)c1cccc(F)c1Br ZINC001201789918 875885383 /nfs/dbraw/zinc/88/53/83/875885383.db2.gz OWKJZERPOWVUMS-SNVBAGLBSA-N -1 3 376.272 3.616 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cccc(F)c1Br ZINC001201791764 875886726 /nfs/dbraw/zinc/88/67/26/875886726.db2.gz XSDJGLJCEYZZQX-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000529232248 875887858 /nfs/dbraw/zinc/88/78/58/875887858.db2.gz KCEASPFQWSILDT-GVDBMIGSSA-N -1 3 382.298 3.701 20 0 GHADHM O=C([N-]CCCN1CCC[C@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000797523850 876043428 /nfs/dbraw/zinc/04/34/28/876043428.db2.gz XCADENYARCAXSK-ZDUSSCGKSA-N -1 3 397.210 3.794 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H]1OCCc2sccc21 ZINC000529416848 876111539 /nfs/dbraw/zinc/11/15/39/876111539.db2.gz QKOVYVOSFIWNBG-BJOHPYRUSA-N -1 3 382.279 3.649 20 0 GHADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccccc1COCc1ccccc1 ZINC000265925788 876328450 /nfs/dbraw/zinc/32/84/50/876328450.db2.gz QRLZOOMEISIUCY-LJQANCHMSA-N -1 3 375.490 3.714 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000786030359 876416912 /nfs/dbraw/zinc/41/69/12/876416912.db2.gz YXHCTLQBISEYLV-KUHUBIRLSA-N -1 3 382.416 3.582 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000786032449 876418411 /nfs/dbraw/zinc/41/84/11/876418411.db2.gz BQEGTTCKLZBXSV-LJQANCHMSA-N -1 3 380.425 3.885 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CCCOC(C)=O)c2)cc1C ZINC000786095896 876442161 /nfs/dbraw/zinc/44/21/61/876442161.db2.gz HFMOPXRMYBVTJC-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM NC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786130214 876496941 /nfs/dbraw/zinc/49/69/41/876496941.db2.gz BQQAWNAKBMMVDN-OAHLLOKOSA-N -1 3 375.833 3.514 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)NCc1ccc(Cl)cc1 ZINC000786133019 876499645 /nfs/dbraw/zinc/49/96/45/876499645.db2.gz ZLRMIJCOSTUWDJ-UHFFFAOYSA-N -1 3 375.833 3.734 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786138130 876503319 /nfs/dbraw/zinc/50/33/19/876503319.db2.gz RJFPKWGIQFVVMO-NSHDSACASA-N -1 3 398.440 3.749 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)cc1OC ZINC000173679936 876567226 /nfs/dbraw/zinc/56/72/26/876567226.db2.gz ZCDDGAYFERJESN-IBGZPJMESA-N -1 3 390.505 3.835 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000174035912 876789551 /nfs/dbraw/zinc/78/95/51/876789551.db2.gz DCEDPOSHEVXAGW-JTQLQIEISA-N -1 3 391.415 3.567 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000786587572 876829967 /nfs/dbraw/zinc/82/99/67/876829967.db2.gz QATDHWNSIGEKMP-OAHLLOKOSA-N -1 3 388.807 3.996 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3oc(C(C)C)nc3C)[n-]c(=O)c12 ZINC000450817924 876952222 /nfs/dbraw/zinc/95/22/22/876952222.db2.gz GSSFVTCJXIMIBA-UHFFFAOYSA-N -1 3 388.449 3.538 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786859644 876986977 /nfs/dbraw/zinc/98/69/77/876986977.db2.gz ZFEBDENRVALGIQ-MRXNPFEDSA-N -1 3 394.487 3.712 20 0 GHADHM Cc1ccc([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c(C)c1 ZINC000850577299 877049194 /nfs/dbraw/zinc/04/91/94/877049194.db2.gz YMCFOZRIMNWEOC-HNNXBMFYSA-N -1 3 386.496 3.675 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(=O)[n-]1 ZINC000174509393 877064461 /nfs/dbraw/zinc/06/44/61/877064461.db2.gz KJKZOTOVYZRABG-UHFFFAOYSA-N -1 3 398.850 3.799 20 0 GHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000787134401 877183171 /nfs/dbraw/zinc/18/31/71/877183171.db2.gz XLMDTINSPOFXTA-OXQOHEQNSA-N -1 3 381.394 3.761 20 0 GHADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl ZINC000451001156 877208311 /nfs/dbraw/zinc/20/83/11/877208311.db2.gz OZLTVCFKIBOQJR-ZCFIWIBFSA-N -1 3 377.087 3.533 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787213246 877227080 /nfs/dbraw/zinc/22/70/80/877227080.db2.gz IHOSDIOPDAEPSV-GJZGRUSLSA-N -1 3 394.487 3.710 20 0 GHADHM COc1ccc(CN(Cc2cnc(C(=O)[O-])cn2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000530163564 877237642 /nfs/dbraw/zinc/23/76/42/877237642.db2.gz PCLFFFIHNFZSGP-BEFAXECRSA-N -1 3 399.491 3.773 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787244691 877261638 /nfs/dbraw/zinc/26/16/38/877261638.db2.gz BAJUVFFIYTTXFF-GOEBONIOSA-N -1 3 394.487 3.616 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000451097096 877331666 /nfs/dbraw/zinc/33/16/66/877331666.db2.gz ZAGVWAMVENDLLC-SGTLLEGYSA-N -1 3 385.913 3.876 20 0 GHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000515761079 877572604 /nfs/dbraw/zinc/57/26/04/877572604.db2.gz FQBWJDGJIOAYKW-OAQYLSRUSA-N -1 3 394.496 3.529 20 0 GHADHM CCN(C(C)=O)c1nc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cs1 ZINC000477417194 877617658 /nfs/dbraw/zinc/61/76/58/877617658.db2.gz GWUQIFTVEKPPAS-VBKFSLOCSA-N -1 3 380.473 3.795 20 0 GHADHM CCc1ccc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c([O-])c1 ZINC000787786043 877617734 /nfs/dbraw/zinc/61/77/34/877617734.db2.gz PDZZMZRKSIEDRG-UHFFFAOYSA-N -1 3 396.487 3.733 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842483 877658856 /nfs/dbraw/zinc/65/88/56/877658856.db2.gz FBENCAKNRFWAQC-JKSUJKDBSA-N -1 3 387.451 3.972 20 0 GHADHM Cc1sc2nc(COC(=O)CCCc3ccc([O-])c(F)c3)nc(N)c2c1C ZINC000787841982 877660818 /nfs/dbraw/zinc/66/08/18/877660818.db2.gz DDGLYWULXJSESY-UHFFFAOYSA-N -1 3 389.452 3.801 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000787844301 877662410 /nfs/dbraw/zinc/66/24/10/877662410.db2.gz IQMXZQHTEFZMJN-AWEZNQCLSA-N -1 3 389.423 3.816 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000787849931 877671648 /nfs/dbraw/zinc/67/16/48/877671648.db2.gz MNUXDZPGWYKEDF-HZPDHXFCSA-N -1 3 387.451 3.706 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)n[n-]2)o1 ZINC000788001044 877768714 /nfs/dbraw/zinc/76/87/14/877768714.db2.gz LZEOCKZBFOXIIH-UHFFFAOYSA-N -1 3 397.435 3.650 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000110044587 877782172 /nfs/dbraw/zinc/78/21/72/877782172.db2.gz IZUFRAVVKGSCQQ-HNNXBMFYSA-N -1 3 376.441 3.510 20 0 GHADHM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788296480 877975340 /nfs/dbraw/zinc/97/53/40/877975340.db2.gz PAFWISJOCMGBFK-UHFFFAOYSA-N -1 3 396.468 3.803 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2csc(Br)c2C)c([O-])c1 ZINC000477705028 878056529 /nfs/dbraw/zinc/05/65/29/878056529.db2.gz VHJMUIVKGYOBIL-UHFFFAOYSA-N -1 3 384.251 3.954 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ncc[nH]1 ZINC000451546816 878116590 /nfs/dbraw/zinc/11/65/90/878116590.db2.gz JXJNEGPZQYNFOH-SECBINFHSA-N -1 3 398.735 3.563 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000530770040 878461090 /nfs/dbraw/zinc/46/10/90/878461090.db2.gz TXJPCGBUJIAMPR-MRXNPFEDSA-N -1 3 378.519 3.856 20 0 GHADHM C[C@@H](c1ccncc1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852673067 878511140 /nfs/dbraw/zinc/51/11/40/878511140.db2.gz FWVUMSKIJQCRIX-BMGDILEWSA-N -1 3 377.410 3.679 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2cccnc2)cc1 ZINC000177049739 878538046 /nfs/dbraw/zinc/53/80/46/878538046.db2.gz PBDBQCOQWKRWGN-ZDUSSCGKSA-N -1 3 386.411 3.515 20 0 GHADHM C[C@@]1(C(=O)[O-])CCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000852727902 878552192 /nfs/dbraw/zinc/55/21/92/878552192.db2.gz SJACLQLBNHQPEM-CQSZACIVSA-N -1 3 396.203 3.687 20 0 GHADHM C[C@@H]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852759065 878582714 /nfs/dbraw/zinc/58/27/14/878582714.db2.gz LCZPNAWRLPVAON-DOMZBBRYSA-N -1 3 383.439 3.699 20 0 GHADHM Cn1cc(C[C@@H]2CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)cn1 ZINC000530841935 878638149 /nfs/dbraw/zinc/63/81/49/878638149.db2.gz JAWPSKXVBHIAPW-FQEVSTJZSA-N -1 3 389.499 3.616 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3CCC(=O)c4cccn43)nc(=O)c2c1C ZINC000789240909 878750976 /nfs/dbraw/zinc/75/09/76/878750976.db2.gz UOEMLRSXGYQMPN-GXFFZTMASA-N -1 3 385.445 3.637 20 0 GHADHM C[C@H](O)C[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000180308247 878763304 /nfs/dbraw/zinc/76/33/04/878763304.db2.gz BOUSOWBHEGQNSE-CABZTGNLSA-N -1 3 393.119 3.653 20 0 GHADHM CCC(CC)N(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CC1 ZINC000530945091 878786238 /nfs/dbraw/zinc/78/62/38/878786238.db2.gz QKLLFJKOSBAAMM-UHFFFAOYSA-N -1 3 383.514 3.642 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccn1Cc1cccs1 ZINC000178019687 878951237 /nfs/dbraw/zinc/95/12/37/878951237.db2.gz KCJNZQPXWVVCNY-UHFFFAOYSA-N -1 3 391.290 3.996 20 0 GHADHM C[C@@]1(F)CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000452195606 879120526 /nfs/dbraw/zinc/12/05/26/879120526.db2.gz OMZGZBBDUYUEEA-LJQANCHMSA-N -1 3 394.443 3.591 20 0 GHADHM C[C@@]1(F)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000452201192 879125640 /nfs/dbraw/zinc/12/56/40/879125640.db2.gz ZMUQJTHIVOMDTB-SIKLNZKXSA-N -1 3 384.451 3.604 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(Cl)nc1C(F)(F)F ZINC000789965857 879370031 /nfs/dbraw/zinc/37/00/31/879370031.db2.gz FQBXDKLTWBRJGB-UHFFFAOYSA-N -1 3 376.669 3.876 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000531253684 879438202 /nfs/dbraw/zinc/43/82/02/879438202.db2.gz BHQBOCBOMMPUDJ-UHFFFAOYSA-N -1 3 394.175 3.871 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000111689807 879524001 /nfs/dbraw/zinc/52/40/01/879524001.db2.gz YAJVGGZECJIWKZ-YRNVUSSQSA-N -1 3 378.812 3.956 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 ZINC000538525046 879623097 /nfs/dbraw/zinc/62/30/97/879623097.db2.gz ONHNVNXAXMUVNQ-AWEZNQCLSA-N -1 3 381.860 3.576 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]nc(-c3ccccc3OC)s2)cc1 ZINC000452524975 879623689 /nfs/dbraw/zinc/62/36/89/879623689.db2.gz UYLQIODVFRGFGT-UHFFFAOYSA-N -1 3 396.516 3.730 20 0 GHADHM CC(C)OCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493817394 879655724 /nfs/dbraw/zinc/65/57/24/879655724.db2.gz KCPMHTGYGXQENJ-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1ccc(CC(F)(F)F)cc1 ZINC000790390437 879661451 /nfs/dbraw/zinc/66/14/51/879661451.db2.gz QJWYAVIGYAWRBQ-UHFFFAOYSA-N -1 3 399.369 3.917 20 0 GHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])C(=O)c1cnn(-c2ccccc2)c1 ZINC000531351586 879678434 /nfs/dbraw/zinc/67/84/34/879678434.db2.gz SPCWDDSINYXQHE-UHFFFAOYSA-N -1 3 397.434 3.990 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2CC(C)C)cc1OC ZINC000790375231 879680121 /nfs/dbraw/zinc/68/01/21/879680121.db2.gz PNCGFDPURMHIIB-UHFFFAOYSA-N -1 3 390.505 3.908 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1cccc(Cl)c1Br ZINC000493901292 879729672 /nfs/dbraw/zinc/72/96/72/879729672.db2.gz SLCCJPUSSZYJIA-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1cccc(Cl)c1Br ZINC000493937709 879749734 /nfs/dbraw/zinc/74/97/34/879749734.db2.gz SJMPZWXSRGAPLI-UHFFFAOYSA-N -1 3 386.698 3.548 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCc3ccccc3[C@@H]2O)c([O-])c1 ZINC001183381427 912494379 /nfs/dbraw/zinc/49/43/79/912494379.db2.gz ASLNFVQUPCWLIJ-APWZRJJASA-N -1 3 383.444 3.582 20 0 GHADHM COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc(OC)c1[O-] ZINC000493973695 879791861 /nfs/dbraw/zinc/79/18/61/879791861.db2.gz YIIOVGQLDNHYLF-AWEZNQCLSA-N -1 3 375.396 3.581 20 0 GHADHM CCN(c1ccccc1)c1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000461433932 879853005 /nfs/dbraw/zinc/85/30/05/879853005.db2.gz RJNJYPVSAGYDFS-UHFFFAOYSA-N -1 3 390.487 3.816 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2c(Cl)ccc3cccnc32)cc1OC ZINC000112336439 879894845 /nfs/dbraw/zinc/89/48/45/879894845.db2.gz RQSAKOZKOWBBJS-UHFFFAOYSA-N -1 3 386.835 3.696 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cncc(-c4cccc(C)c4)c3)nc21 ZINC000494088862 879906199 /nfs/dbraw/zinc/90/61/99/879906199.db2.gz IBRLMUZGHRMGPJ-UHFFFAOYSA-N -1 3 386.411 3.972 20 0 GHADHM CC[C@@H](CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(OC)cc1 ZINC000494130784 879960220 /nfs/dbraw/zinc/96/02/20/879960220.db2.gz MLGRQUOFRBUHHU-ZDUSSCGKSA-N -1 3 381.432 3.881 20 0 GHADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452755386 879964108 /nfs/dbraw/zinc/96/41/08/879964108.db2.gz NJEXJPWXMKLCRF-WCQYABFASA-N -1 3 397.313 3.686 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000183144148 880061153 /nfs/dbraw/zinc/06/11/53/880061153.db2.gz QUJRVXNWUHYNKI-LLVKDONJSA-N -1 3 395.425 3.756 20 0 GHADHM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc2sccc2c([O-])c1 ZINC000791328625 880334240 /nfs/dbraw/zinc/33/42/40/880334240.db2.gz GWGOOUDISRYBQJ-UHFFFAOYSA-N -1 3 380.469 3.659 20 0 GHADHM COc1ccc(C(C)(C)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1OC ZINC000531769310 880448986 /nfs/dbraw/zinc/44/89/86/880448986.db2.gz LLQUICWPUKSYGL-UHFFFAOYSA-N -1 3 379.460 3.741 20 0 GHADHM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2nnc3ccccc3c2[O-])CO1 ZINC000855334957 880463454 /nfs/dbraw/zinc/46/34/54/880463454.db2.gz ZHYMRKCGOCQTIT-MRXNPFEDSA-N -1 3 377.444 3.545 20 0 GHADHM CC(C)(C)OC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000185082178 880470075 /nfs/dbraw/zinc/47/00/75/880470075.db2.gz MWSFSCCIQKQJPB-UHFFFAOYSA-N -1 3 378.475 3.820 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCc2ncccc2[O-])c1 ZINC000791818708 880715356 /nfs/dbraw/zinc/71/53/56/880715356.db2.gz GJICHIZWBXQSIH-UHFFFAOYSA-N -1 3 376.388 3.595 20 0 GHADHM COc1ccccc1[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)OC(C)C ZINC000186007444 880759356 /nfs/dbraw/zinc/75/93/56/880759356.db2.gz IJJSXFSVZYEXKZ-LJQANCHMSA-N -1 3 376.428 3.505 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)n1 ZINC000186283368 880843119 /nfs/dbraw/zinc/84/31/19/880843119.db2.gz QDCWZVDHCQGWBV-UHFFFAOYSA-N -1 3 386.926 3.762 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000532006391 880877550 /nfs/dbraw/zinc/87/75/50/880877550.db2.gz IUSUUTABVAHSOE-OAHLLOKOSA-N -1 3 378.519 3.580 20 0 GHADHM Cc1nc2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2nc1C ZINC000532019382 880936345 /nfs/dbraw/zinc/93/63/45/880936345.db2.gz JKEXOXUWMRFFBQ-UHFFFAOYSA-N -1 3 386.249 3.645 20 0 GHADHM CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275208170 912626083 /nfs/dbraw/zinc/62/60/83/912626083.db2.gz CQSRPPWOZNPZIL-DZGCQCFKSA-N -1 3 395.341 3.672 20 0 GHADHM CCOC(=O)c1sc([C@@H]2CCN(Cc3cccc([O-])c3Cl)C2)nc1C ZINC001183560628 912629553 /nfs/dbraw/zinc/62/95/53/912629553.db2.gz DCBGQKGSVZQFAL-CYBMUJFWSA-N -1 3 380.897 3.977 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1nc(Br)cs1 ZINC000792243067 881001512 /nfs/dbraw/zinc/00/15/12/881001512.db2.gz SXRWRGIVGWQUKY-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM CC[C@@H](C)[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170423 881007663 /nfs/dbraw/zinc/00/76/63/881007663.db2.gz CUOMGYOGEOLOPJ-MUIFIZLQSA-N -1 3 384.442 3.732 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792487963 881143141 /nfs/dbraw/zinc/14/31/41/881143141.db2.gz YHPHYJVXRVLCAQ-UHFFFAOYSA-N -1 3 399.451 3.850 20 0 GHADHM O=C([N-]OCC1CCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000856345172 881155127 /nfs/dbraw/zinc/15/51/27/881155127.db2.gz HPKXKJKWWGTQBX-AWEZNQCLSA-N -1 3 385.291 3.694 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCOCC2)c(C)c1 ZINC000187464343 881203482 /nfs/dbraw/zinc/20/34/82/881203482.db2.gz FCKCMROWMRPTCE-UHFFFAOYSA-N -1 3 375.490 3.916 20 0 GHADHM COC(=O)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1Cl ZINC000499135105 881228146 /nfs/dbraw/zinc/22/81/46/881228146.db2.gz QXEMQGQPIMRIMG-CQSZACIVSA-N -1 3 388.634 3.997 20 0 GHADHM COC(=O)c1cnc(SCc2csc(COc3ccc(C)cc3)n2)[n-]1 ZINC000187595540 881242089 /nfs/dbraw/zinc/24/20/89/881242089.db2.gz YDGINIPXXXUBQK-UHFFFAOYSA-N -1 3 375.475 3.833 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Oc2cccnc2)cc1 ZINC000494250812 881299445 /nfs/dbraw/zinc/29/94/45/881299445.db2.gz LNQXFGINODQYDQ-LBPRGKRZSA-N -1 3 377.379 3.775 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(F)F)C2 ZINC000551174322 883386931 /nfs/dbraw/zinc/38/69/31/883386931.db2.gz STFGXIKPXQKDDJ-UHFFFAOYSA-N -1 3 384.423 3.824 20 0 GHADHM CCOC(=O)[C@]1([N-]S(=O)(=O)c2ccc3ccccc3c2)CCc2ccccc21 ZINC000609615264 883459117 /nfs/dbraw/zinc/45/91/17/883459117.db2.gz PSWJRZBLGJUXEK-QFIPXVFZSA-N -1 3 395.480 3.523 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209835 883488000 /nfs/dbraw/zinc/48/80/00/883488000.db2.gz ZYTYBKWYNPGBFA-ZYHUDNBSSA-N -1 3 396.734 3.584 20 0 GHADHM Cc1ccccc1CCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130086907 883609011 /nfs/dbraw/zinc/60/90/11/883609011.db2.gz JDXRQQMODMDSFD-KRWDZBQOSA-N -1 3 390.405 3.564 20 0 GHADHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OC1CCCC1 ZINC000914563941 884183856 /nfs/dbraw/zinc/18/38/56/884183856.db2.gz LYQHHZGHKQUVOP-AQTBWJFISA-N -1 3 378.428 3.740 20 0 GHADHM CC(C)n1cnc([N-]C(=O)c2cnc(-c3ccccc3Br)s2)n1 ZINC001130477260 884277698 /nfs/dbraw/zinc/27/76/98/884277698.db2.gz SHAXKORLRFLECG-UHFFFAOYSA-N -1 3 392.282 3.997 20 0 GHADHM C[C@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)c1ccccc1 ZINC000795780427 912811157 /nfs/dbraw/zinc/81/11/57/912811157.db2.gz FWNBDPIEIZGQDY-NSHDSACASA-N -1 3 387.379 3.995 20 0 GHADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1S(=O)(=O)NC(C)(C)C ZINC000556284373 884365004 /nfs/dbraw/zinc/36/50/04/884365004.db2.gz FUZDNHHNJSVEAV-UHFFFAOYSA-N -1 3 396.896 3.683 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1C ZINC000914724910 884616519 /nfs/dbraw/zinc/61/65/19/884616519.db2.gz CMANCXIJLVPOTK-OAHLLOKOSA-N -1 3 392.496 3.620 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)s1 ZINC000914732741 884641300 /nfs/dbraw/zinc/64/13/00/884641300.db2.gz MRJQYMFUOZXIPI-GFCCVEGCSA-N -1 3 398.525 3.682 20 0 GHADHM COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000860442063 884679909 /nfs/dbraw/zinc/67/99/09/884679909.db2.gz VLZBWTBQHPUQRM-KRWDZBQOSA-N -1 3 390.411 3.744 20 0 GHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556376068 884704342 /nfs/dbraw/zinc/70/43/42/884704342.db2.gz QQQANBOHQBRRDZ-SECBINFHSA-N -1 3 384.723 3.584 20 0 GHADHM CCn1nc(C)c(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1C ZINC000795824569 912876545 /nfs/dbraw/zinc/87/65/45/912876545.db2.gz XXJKHGYOOWCQDQ-LBPRGKRZSA-N -1 3 388.493 3.694 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cn4cccn4)o3)nc(=O)c2c1C ZINC000919110414 884922904 /nfs/dbraw/zinc/92/29/04/884922904.db2.gz DKVRSMGXHPSELS-LLVKDONJSA-N -1 3 398.444 3.770 20 0 GHADHM O=S(=O)([N-]Nc1c(Cl)cc(F)cc1Cl)c1cnc(Cl)c(F)c1 ZINC000761968251 885069980 /nfs/dbraw/zinc/06/99/80/885069980.db2.gz ACQPYNXUQXOPDN-UHFFFAOYSA-N -1 3 388.610 3.625 20 0 GHADHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000053190903 885095564 /nfs/dbraw/zinc/09/55/64/885095564.db2.gz DWYRQGVTDHRAHJ-UHFFFAOYSA-N -1 3 390.361 3.537 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1 ZINC000107160316 885247295 /nfs/dbraw/zinc/24/72/95/885247295.db2.gz FDNSJPIOXJYCCY-UHFFFAOYSA-N -1 3 382.441 3.896 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccsc1 ZINC000795855212 912914151 /nfs/dbraw/zinc/91/41/51/912914151.db2.gz IKXRCURVYKKDRF-CYBMUJFWSA-N -1 3 399.843 3.606 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCC[C@@H]3c3cccs3)n[n-]2)o1 ZINC000919326679 885337210 /nfs/dbraw/zinc/33/72/10/885337210.db2.gz AYNKEXMBLSBJCH-XJKSGUPXSA-N -1 3 399.472 3.949 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCC[C@@H]3c3cccs3)[n-]n2)o1 ZINC000919326679 885337230 /nfs/dbraw/zinc/33/72/30/885337230.db2.gz AYNKEXMBLSBJCH-XJKSGUPXSA-N -1 3 399.472 3.949 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919328653 885343363 /nfs/dbraw/zinc/34/33/63/885343363.db2.gz IDIKBRMYLIXFBS-HXUWFJFHSA-N -1 3 381.432 3.648 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919328653 885343382 /nfs/dbraw/zinc/34/33/82/885343382.db2.gz IDIKBRMYLIXFBS-HXUWFJFHSA-N -1 3 381.432 3.648 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)NC[C@H](c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919328633 885343920 /nfs/dbraw/zinc/34/39/20/885343920.db2.gz QVQAYELCXRRWRO-KRWDZBQOSA-N -1 3 395.459 3.691 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)NC[C@H](c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919328633 885343942 /nfs/dbraw/zinc/34/39/42/885343942.db2.gz QVQAYELCXRRWRO-KRWDZBQOSA-N -1 3 395.459 3.691 20 0 GHADHM COc1ccc(-c2cc(COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)on2)cc1 ZINC000919329765 885350448 /nfs/dbraw/zinc/35/04/48/885350448.db2.gz UHNWGQUMSNTUKN-UHFFFAOYSA-N -1 3 379.372 3.999 20 0 GHADHM COc1ccc(-c2cc(COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)on2)cc1 ZINC000919329765 885350471 /nfs/dbraw/zinc/35/04/71/885350471.db2.gz UHNWGQUMSNTUKN-UHFFFAOYSA-N -1 3 379.372 3.999 20 0 GHADHM CCOc1ccc(-c2noc(COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)n2)cc1 ZINC000919329786 885350546 /nfs/dbraw/zinc/35/05/46/885350546.db2.gz UTIOOFCDMVDKSG-UHFFFAOYSA-N -1 3 394.387 3.784 20 0 GHADHM CCOc1ccc(-c2noc(COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)n2)cc1 ZINC000919329786 885350567 /nfs/dbraw/zinc/35/05/67/885350567.db2.gz UTIOOFCDMVDKSG-UHFFFAOYSA-N -1 3 394.387 3.784 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000861284338 885369795 /nfs/dbraw/zinc/36/97/95/885369795.db2.gz OCGMRBLXPJAOMU-UHFFFAOYSA-N -1 3 388.508 3.954 20 0 GHADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104735079 885591795 /nfs/dbraw/zinc/59/17/95/885591795.db2.gz PPWWONBKLMVBQM-SMDDNHRTSA-N -1 3 376.881 3.685 20 0 GHADHM CC[C@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000747413325 885643391 /nfs/dbraw/zinc/64/33/91/885643391.db2.gz NLPJYVNRADXOCZ-VIFPVBQESA-N -1 3 388.415 3.970 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)c3cccc(C(C)C)c3)nc(=O)c2c1C ZINC000532484716 885814204 /nfs/dbraw/zinc/81/42/04/885814204.db2.gz DXBAFQCNBJAFSJ-UHFFFAOYSA-N -1 3 385.489 3.839 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnn2c1OCCC2 ZINC000556677035 885870684 /nfs/dbraw/zinc/87/06/84/885870684.db2.gz CXRFMOLABFULRW-UHFFFAOYSA-N -1 3 392.440 3.900 20 0 GHADHM CS[C@H]1CCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000532528338 885894662 /nfs/dbraw/zinc/89/46/62/885894662.db2.gz GIICZYWAMDWDPG-LBPRGKRZSA-N -1 3 395.322 3.648 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(COC(F)(F)F)cc2)c([O-])c1 ZINC000476472555 885962160 /nfs/dbraw/zinc/96/21/60/885962160.db2.gz REJFKXLEOMPLOB-UHFFFAOYSA-N -1 3 383.322 3.858 20 0 GHADHM COc1ccc(/C=C\C(=O)Nc2ccc(Br)cc2[O-])cc1OC ZINC000915198534 885997929 /nfs/dbraw/zinc/99/79/29/885997929.db2.gz LTGKUOFVRZHUSL-YWEYNIOJSA-N -1 3 378.222 3.824 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(C)c1C ZINC000117227477 886043270 /nfs/dbraw/zinc/04/32/70/886043270.db2.gz IGRHHQBBEIHZMV-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000117237665 886044402 /nfs/dbraw/zinc/04/44/02/886044402.db2.gz JYELZEWINTZGKL-SECBINFHSA-N -1 3 385.283 3.890 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(=O)[n-]1 ZINC000108285229 886069103 /nfs/dbraw/zinc/06/91/03/886069103.db2.gz RBRPEESFSTVIFZ-HXUWFJFHSA-N -1 3 378.476 3.554 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc(C)c1F ZINC000460442939 886074524 /nfs/dbraw/zinc/07/45/24/886074524.db2.gz HWRNXYODTQQALA-QGZVFWFLSA-N -1 3 379.453 3.801 20 0 GHADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000055634740 886124513 /nfs/dbraw/zinc/12/45/13/886124513.db2.gz VKZFPEZOWZJHQR-GFCCVEGCSA-N -1 3 390.361 3.744 20 0 GHADHM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000808346496 886251293 /nfs/dbraw/zinc/25/12/93/886251293.db2.gz CLEREEUZHVUTEA-UHFFFAOYSA-N -1 3 390.839 3.753 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1Cl ZINC000762528133 886343209 /nfs/dbraw/zinc/34/32/09/886343209.db2.gz OPEJCTHRQWADBE-MDZLAQPJSA-N -1 3 398.402 3.960 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc3cc[nH]c3c2)ccc1F ZINC000808882215 886886742 /nfs/dbraw/zinc/88/67/42/886886742.db2.gz DHJQURPMMBHZIZ-UHFFFAOYSA-N -1 3 390.436 3.603 20 0 GHADHM O=c1[n-]c(CN(CCc2ccccc2)[C@H]2CCOC2)nc2c3ccccc3oc21 ZINC000532650496 886941080 /nfs/dbraw/zinc/94/10/80/886941080.db2.gz LCWDDLSMZPOABN-KRWDZBQOSA-N -1 3 389.455 3.915 20 0 GHADHM CS(=O)(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1Cl ZINC000542574467 887050064 /nfs/dbraw/zinc/05/00/64/887050064.db2.gz QQCADGDKOIKJQH-UHFFFAOYSA-N -1 3 394.880 3.548 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)C3CCCCC3)CC2)cc(Cl)c1[O-] ZINC000459317962 887301630 /nfs/dbraw/zinc/30/16/30/887301630.db2.gz BOKQONOEJLWWHT-UHFFFAOYSA-N -1 3 380.916 3.669 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000153722200 887422858 /nfs/dbraw/zinc/42/28/58/887422858.db2.gz GUGVWTAGAARXPH-INIZCTEOSA-N -1 3 392.455 3.856 20 0 GHADHM CN(Cc1cc(Br)cn1C)Cc1cccc([O-])c1Br ZINC000459342626 887484613 /nfs/dbraw/zinc/48/46/13/887484613.db2.gz GHBNNRWJZJUJFB-UHFFFAOYSA-N -1 3 388.103 3.888 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(c2noc(-c3cc4ccccc4cc3[O-])n2)CC1 ZINC000809516127 887538578 /nfs/dbraw/zinc/53/85/78/887538578.db2.gz HAPGZAKRRMTVDG-UHFFFAOYSA-N -1 3 396.447 3.653 20 0 GHADHM Cc1ccc(C(=O)NC2CC2)cc1NCc1cccc([O-])c1Br ZINC000459347786 887557176 /nfs/dbraw/zinc/55/71/76/887557176.db2.gz LFAHIFFSRAZOIO-UHFFFAOYSA-N -1 3 375.266 3.967 20 0 GHADHM CC(=O)N1CCN(Cc2cccc([O-])c2Br)CC12CCCCC2 ZINC000459354554 887590660 /nfs/dbraw/zinc/59/06/60/887590660.db2.gz MCYBWPKZTYDOIP-UHFFFAOYSA-N -1 3 381.314 3.522 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(N3CCOC3=O)c2)c1C ZINC000794600667 887667021 /nfs/dbraw/zinc/66/70/21/887667021.db2.gz GVEGZNXTERJZLA-UHFFFAOYSA-N -1 3 392.452 3.817 20 0 GHADHM C[C@H]1CCN(Cc2ccc(OCC(F)F)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809768882 887757177 /nfs/dbraw/zinc/75/71/77/887757177.db2.gz CVMJTJOGDDLVSJ-MKBNYLNASA-N -1 3 394.384 3.608 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000053901562 887802978 /nfs/dbraw/zinc/80/29/78/887802978.db2.gz WMLWMPVNNJUWSG-GOSISDBHSA-N -1 3 387.892 3.550 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)c1nc(C2CC2)no1 ZINC000809814178 887826343 /nfs/dbraw/zinc/82/63/43/887826343.db2.gz BRPRSWZEVSUQER-GOSISDBHSA-N -1 3 385.489 3.917 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000055106802 888085737 /nfs/dbraw/zinc/08/57/37/888085737.db2.gz PNHYUSMOZLNTSZ-SNVBAGLBSA-N -1 3 377.238 3.604 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2cc3ccccc3c(Cl)n2)C1)C(F)(F)F ZINC000810066578 888153566 /nfs/dbraw/zinc/15/35/66/888153566.db2.gz NJXQQAZDTDRFOW-GFCCVEGCSA-N -1 3 385.817 3.779 20 0 GHADHM CCOC(=O)C(=Cc1cn(C2CC2)cn1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000865218958 888252086 /nfs/dbraw/zinc/25/20/86/888252086.db2.gz VYAVBPBKOPYHAY-VGOFMYFVSA-N -1 3 384.461 3.649 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000614852483 888254213 /nfs/dbraw/zinc/25/42/13/888254213.db2.gz QHCDOBOZLPBRNO-UHFFFAOYSA-N -1 3 375.425 3.601 20 0 GHADHM CCc1ccc(CC)c(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810190989 888274799 /nfs/dbraw/zinc/27/47/99/888274799.db2.gz IWDYGLDYIZTJSC-AWEZNQCLSA-N -1 3 385.430 3.734 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000032590307 888511448 /nfs/dbraw/zinc/51/14/48/888511448.db2.gz BITZWUQWFAAHFG-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CCN(c4ccccc4F)C3)c2)n1 ZINC000810596639 888645668 /nfs/dbraw/zinc/64/56/68/888645668.db2.gz NCXQAKCXTUFVFE-MRXNPFEDSA-N -1 3 393.418 3.729 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000123324054 888674115 /nfs/dbraw/zinc/67/41/15/888674115.db2.gz BXCRFJYMIWKGAE-DOTOQJQBSA-N -1 3 381.350 3.712 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC3([C@@H]4CCCCO4)CCC3)cc2)cc(=O)[n-]1 ZINC000866175815 888767214 /nfs/dbraw/zinc/76/72/14/888767214.db2.gz WWSSBFXIYPAJSD-SFHVURJKSA-N -1 3 382.464 3.771 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)cc1OC ZINC000454306449 888808718 /nfs/dbraw/zinc/80/87/18/888808718.db2.gz CAQMHWWUUVEPJI-CRAIPNDOSA-N -1 3 397.541 3.601 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000796107344 913282805 /nfs/dbraw/zinc/28/28/05/913282805.db2.gz XRMDNSJXHJNWTH-FZKQIMNGSA-N -1 3 377.437 3.589 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CC1=O ZINC000810823282 888910455 /nfs/dbraw/zinc/91/04/55/888910455.db2.gz BLGBZXRINBBBPB-SECBINFHSA-N -1 3 384.841 3.576 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866628356 888979644 /nfs/dbraw/zinc/97/96/44/888979644.db2.gz NCFGBECOUIWVTM-CYBMUJFWSA-N -1 3 396.516 3.846 20 0 GHADHM CC[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCC(C)CC1 ZINC000810897845 889004926 /nfs/dbraw/zinc/00/49/26/889004926.db2.gz BUQGZPWYPFNSLV-BHDPWAOGSA-N -1 3 376.463 3.756 20 0 GHADHM CC(C)(CCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000810899416 889007431 /nfs/dbraw/zinc/00/74/31/889007431.db2.gz JUCHTNNBYAISNT-HNNXBMFYSA-N -1 3 384.442 3.662 20 0 GHADHM Cc1ccc2sc(C(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)cc2c1 ZINC000810904147 889012059 /nfs/dbraw/zinc/01/20/59/889012059.db2.gz XYDYHKVNHHYSKS-GFCCVEGCSA-N -1 3 384.423 3.740 20 0 GHADHM CC(C)c1ccccc1C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132540121 889040923 /nfs/dbraw/zinc/04/09/23/889040923.db2.gz VOCCCOLDIYIBDB-UHFFFAOYSA-N -1 3 381.523 3.596 20 0 GHADHM CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC000532838422 889057755 /nfs/dbraw/zinc/05/77/55/889057755.db2.gz YEROIATXWHQZMD-NSHDSACASA-N -1 3 376.865 3.759 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000916515040 889068554 /nfs/dbraw/zinc/06/85/54/889068554.db2.gz YPNXNUMTRNCNGW-UHFFFAOYSA-N -1 3 389.455 3.919 20 0 GHADHM O=C(c1cc(F)c(OCc2ccccc2)c(F)c1)N1CCCc2c(=O)[n-]cnc21 ZINC001132572130 889122073 /nfs/dbraw/zinc/12/20/73/889122073.db2.gz IEGJZSVDALCIEX-UHFFFAOYSA-N -1 3 397.381 3.632 20 0 GHADHM O=c1[n-]c(SC[C@@H]2C[C@]23CCOC3)nc2c1cnn2-c1cccc(Cl)c1 ZINC000916563028 889128920 /nfs/dbraw/zinc/12/89/20/889128920.db2.gz OEJXIQWTBIBKEL-VOJFVSQTSA-N -1 3 388.880 3.693 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(SCc3ccccc3)s2)c2ccccc21 ZINC000016719832 889133727 /nfs/dbraw/zinc/13/37/27/889133727.db2.gz VBLBLPMHIWVTGU-XNTDXEJSSA-N -1 3 394.481 3.553 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc21 ZINC000016719865 889133918 /nfs/dbraw/zinc/13/39/18/889133918.db2.gz NSBASOCCPUSMAY-MDWZMJQESA-N -1 3 383.379 3.811 20 0 GHADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000532881161 889154496 /nfs/dbraw/zinc/15/44/96/889154496.db2.gz BGYDPGWVSMNZPW-GUYCJALGSA-N -1 3 399.318 3.844 20 0 GHADHM CC[C@@H](C)N1C(=O)C[C@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321611 913337047 /nfs/dbraw/zinc/33/70/47/913337047.db2.gz DYEDWVPAOYCAQI-BLVKFPJESA-N -1 3 399.318 3.839 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)cc1F ZINC001184657117 913346167 /nfs/dbraw/zinc/34/61/67/913346167.db2.gz VDYPCGWILFDFBD-UHFFFAOYSA-N -1 3 395.349 3.513 20 0 GHADHM Cn1cc([C@H]([N-]C(=O)c2cc(C(F)(F)F)cc(Cl)n2)C(F)(F)F)cn1 ZINC000811465944 889627806 /nfs/dbraw/zinc/62/78/06/889627806.db2.gz LCYAPRDTCITWEV-JTQLQIEISA-N -1 3 386.683 3.521 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1)C(F)(F)F ZINC000811514084 889708726 /nfs/dbraw/zinc/70/87/26/889708726.db2.gz BHEIDXLWXBVTTB-GFCCVEGCSA-N -1 3 375.460 3.691 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](COCc2ccccc2)c2ccccc2)s1 ZINC000533176104 889905680 /nfs/dbraw/zinc/90/56/80/889905680.db2.gz MUNWNASCWSJSKV-SFHVURJKSA-N -1 3 388.514 3.688 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(C2CCOCC2)cc1 ZINC000869667950 890029220 /nfs/dbraw/zinc/02/92/20/890029220.db2.gz KYUDCXKKNDLHKY-UHFFFAOYSA-N -1 3 380.400 3.693 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccnn3CC3CCC3)nc(=O)c2c1C ZINC000869762151 890066879 /nfs/dbraw/zinc/06/68/79/890066879.db2.gz GICAAFOUNRUEGA-NSHDSACASA-N -1 3 386.477 3.928 20 0 GHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cc(C(F)(F)F)ccc1F ZINC000125671121 890072510 /nfs/dbraw/zinc/07/25/10/890072510.db2.gz IRQAQNQTFFVNTF-UHFFFAOYSA-N -1 3 391.390 3.635 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc2c(s1)CCC2 ZINC000870214097 890266326 /nfs/dbraw/zinc/26/63/26/890266326.db2.gz HYMYROJZVVIGFM-UHFFFAOYSA-N -1 3 396.472 3.782 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000126182533 890401215 /nfs/dbraw/zinc/40/12/15/890401215.db2.gz FFKWQYZATJPKFA-QMTHXVAHSA-N -1 3 397.219 3.788 20 0 GHADHM CC(C)N(Cc1cccnc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126277109 890453457 /nfs/dbraw/zinc/45/34/57/890453457.db2.gz XSULSWLWJUNYTD-UHFFFAOYSA-N -1 3 378.270 3.670 20 0 GHADHM CN1C(=O)COc2cc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])ccc21 ZINC000533406714 890472338 /nfs/dbraw/zinc/47/23/38/890472338.db2.gz HBKULTHPJAZJEI-UHFFFAOYSA-N -1 3 390.395 3.792 20 0 GHADHM O=C(CSCC(=O)c1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000126711649 890660154 /nfs/dbraw/zinc/66/01/54/890660154.db2.gz CLSPNKQFLRSWJA-UHFFFAOYSA-N -1 3 380.263 3.709 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)c2[nH]ccc2C2CC2)c2ccccc21)C(F)(F)F ZINC000871315238 890748938 /nfs/dbraw/zinc/74/89/38/890748938.db2.gz AKTXCQOEOXHVGB-ZDUSSCGKSA-N -1 3 391.393 3.705 20 0 GHADHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000127138478 890915116 /nfs/dbraw/zinc/91/51/16/890915116.db2.gz ABFALUXULJXKPA-JTQLQIEISA-N -1 3 384.220 3.928 20 0 GHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(F)c1I ZINC000871877504 891069311 /nfs/dbraw/zinc/06/93/11/891069311.db2.gz LNIWDIBNVKZAHR-QWRGUYRKSA-N -1 3 393.240 3.799 20 0 GHADHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000127506558 891102265 /nfs/dbraw/zinc/10/22/65/891102265.db2.gz VYYHHXJLYRHBIM-CTNGQTDRSA-N -1 3 376.456 3.957 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([O-])c1F ZINC000872027159 891124511 /nfs/dbraw/zinc/12/45/11/891124511.db2.gz ICMWQMYVKVAZEG-OWCLPIDISA-N -1 3 386.467 3.632 20 0 GHADHM C[C@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc([O-])c1F ZINC000872070777 891138400 /nfs/dbraw/zinc/13/84/00/891138400.db2.gz WIEVBQKQVRPVDW-JTQLQIEISA-N -1 3 391.386 3.804 20 0 GHADHM Cc1nc(C2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)sc1C(=O)[O-] ZINC000872164912 891188559 /nfs/dbraw/zinc/18/85/59/891188559.db2.gz YEEGZCCQHYWUKB-HNNXBMFYSA-N -1 3 380.897 3.716 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000067180417 891221106 /nfs/dbraw/zinc/22/11/06/891221106.db2.gz COMGKASTISPQOD-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000872457464 891264777 /nfs/dbraw/zinc/26/47/77/891264777.db2.gz APXZIHKVJWXSJH-PWECECGKSA-N -1 3 395.550 3.540 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC001184924011 913539512 /nfs/dbraw/zinc/53/95/12/913539512.db2.gz JRMWJUKZPWYPKG-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC001184924011 913539520 /nfs/dbraw/zinc/53/95/20/913539520.db2.gz JRMWJUKZPWYPKG-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)CC2CC3(CCC3)C2)c2ccc(Cl)cc2)no1 ZINC000872468801 891266755 /nfs/dbraw/zinc/26/67/55/891266755.db2.gz YXJQPYWCDURMBV-MRXNPFEDSA-N -1 3 395.912 3.621 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825615717 891279119 /nfs/dbraw/zinc/27/91/19/891279119.db2.gz IIJPFJIRTVRWDY-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825615717 891279134 /nfs/dbraw/zinc/27/91/34/891279134.db2.gz IIJPFJIRTVRWDY-UHFFFAOYSA-N -1 3 392.246 3.849 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cc(SC)ccc1C ZINC000825626324 891342164 /nfs/dbraw/zinc/34/21/64/891342164.db2.gz KEJHKHOYDDSKTJ-UHFFFAOYSA-N -1 3 384.465 3.940 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cc(SC)ccc1C ZINC000825626324 891342177 /nfs/dbraw/zinc/34/21/77/891342177.db2.gz KEJHKHOYDDSKTJ-UHFFFAOYSA-N -1 3 384.465 3.940 20 0 GHADHM Cc1cccc(C2(C(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)CCCC2)c1 ZINC000813283618 891469911 /nfs/dbraw/zinc/46/99/11/891469911.db2.gz XUDJWRUBUTZGQL-MRXNPFEDSA-N -1 3 396.453 3.724 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873644697 891723013 /nfs/dbraw/zinc/72/30/13/891723013.db2.gz QVOVXXXGNNITMI-BNOWGMLFSA-N -1 3 382.291 3.978 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001133906832 891923268 /nfs/dbraw/zinc/92/32/68/891923268.db2.gz CYVJPZSQLBQZLS-UHFFFAOYSA-N -1 3 392.337 3.925 20 0 GHADHM N[C@@H](CCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccc(Cl)cc2)no1 ZINC001212097693 891969270 /nfs/dbraw/zinc/96/92/70/891969270.db2.gz DVIIFCLXIUHTFH-INIZCTEOSA-N -1 3 397.818 3.835 20 0 GHADHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000162016514 891974574 /nfs/dbraw/zinc/97/45/74/891974574.db2.gz DUTZTKDLEXUTRV-SECBINFHSA-N -1 3 378.288 3.559 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000128522579 892057467 /nfs/dbraw/zinc/05/74/67/892057467.db2.gz NGUSLIGPAFIYCA-JTQLQIEISA-N -1 3 383.311 3.955 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NCc2ccc(COc3ccccc3)cc2)c2ccccc21 ZINC000917602142 892269819 /nfs/dbraw/zinc/26/98/19/892269819.db2.gz VOTJCCNTOXKUNL-JCMHNJIXSA-N -1 3 384.435 3.666 20 0 GHADHM CCOc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1 ZINC000917603623 892272933 /nfs/dbraw/zinc/27/29/33/892272933.db2.gz CQCHPFYAUKNGHP-BOPFTXTBSA-N -1 3 391.452 3.932 20 0 GHADHM O=C1[N-]C(=O)C(=CNCCc2ccc(OCc3ccccc3)cc2)c2ccccc21 ZINC000917604996 892274323 /nfs/dbraw/zinc/27/43/23/892274323.db2.gz RVDIWSCDBTYADL-KQWNVCNZSA-N -1 3 398.462 3.709 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263042628 892411530 /nfs/dbraw/zinc/41/15/30/892411530.db2.gz COWBUNDBVXFNEC-MRXNPFEDSA-N -1 3 378.488 3.530 20 0 GHADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC(C)(C)CCC(=O)[O-])CC1 ZINC000263049388 892414486 /nfs/dbraw/zinc/41/44/86/892414486.db2.gz DGHGWEIOZKKJDW-UHFFFAOYSA-N -1 3 397.903 3.578 20 0 GHADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000917735856 892448484 /nfs/dbraw/zinc/44/84/84/892448484.db2.gz GJZFRKLLZGOPAO-UHFFFAOYSA-N -1 3 389.473 3.524 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000125336120 892505826 /nfs/dbraw/zinc/50/58/26/892505826.db2.gz PYHPTJYHUANQLP-AWEZNQCLSA-N -1 3 397.500 3.589 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)nc21 ZINC000162450561 892520531 /nfs/dbraw/zinc/52/05/31/892520531.db2.gz OYUGZPQCZHVTPY-UHFFFAOYSA-N -1 3 382.420 3.564 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000875391420 892588392 /nfs/dbraw/zinc/58/83/92/892588392.db2.gz QAZIACYTINYDNJ-OAHLLOKOSA-N -1 3 397.313 3.788 20 0 GHADHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000154541953 892643876 /nfs/dbraw/zinc/64/38/76/892643876.db2.gz JENYZKIXHXDWJR-MRXNPFEDSA-N -1 3 382.485 3.866 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)[N-]c3cccnc3F)o2)CC1 ZINC000875806806 892816591 /nfs/dbraw/zinc/81/65/91/892816591.db2.gz FONBPVLDQDXYHX-UHFFFAOYSA-N -1 3 390.415 3.576 20 0 GHADHM [O-]c1cccc(CNC[C@H](O)COc2cccc(Cl)c2Cl)c1Cl ZINC000645151827 913707994 /nfs/dbraw/zinc/70/79/94/913707994.db2.gz UKHGQFCCQGZBFB-NSHDSACASA-N -1 3 376.667 3.882 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)c(=O)c2c(OC)c1 ZINC000626485011 893029650 /nfs/dbraw/zinc/02/96/50/893029650.db2.gz AKDWZDLWXNLSPC-LSDHHAIUSA-N -1 3 386.492 3.880 20 0 GHADHM O=C1[C@@H](NCc2cccc([O-])c2Cl)CCCN1Cc1ccc(F)cc1F ZINC000645176836 913730033 /nfs/dbraw/zinc/73/00/33/913730033.db2.gz JDNRHROJUHYYED-INIZCTEOSA-N -1 3 380.822 3.605 20 0 GHADHM CC(C)c1nsc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)n1 ZINC000918095672 893110472 /nfs/dbraw/zinc/11/04/72/893110472.db2.gz LJOWMDOWLSYVNG-UHFFFAOYSA-N -1 3 398.517 3.847 20 0 GHADHM O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc([O-])c1F ZINC000129231246 893177398 /nfs/dbraw/zinc/17/73/98/893177398.db2.gz VGRHEMMBJPIRNE-UHFFFAOYSA-N -1 3 398.463 3.779 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(OCc2cccs2)c1 ZINC000129232957 893179695 /nfs/dbraw/zinc/17/96/95/893179695.db2.gz NXMIFFGYPPVLCJ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCc2cccs2)c1 ZINC000129232957 893179701 /nfs/dbraw/zinc/17/97/01/893179701.db2.gz NXMIFFGYPPVLCJ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM CC(C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000918170691 893266822 /nfs/dbraw/zinc/26/68/22/893266822.db2.gz YRTXHGKBUXRJPJ-UHFFFAOYSA-N -1 3 392.496 3.958 20 0 GHADHM O=C(CCCNC(=O)C1CC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129480668 893478401 /nfs/dbraw/zinc/47/84/01/893478401.db2.gz NVWOEJIIBABZMG-UHFFFAOYSA-N -1 3 395.484 3.914 20 0 GHADHM CCc1nc(C(C)C)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000815190268 893536926 /nfs/dbraw/zinc/53/69/26/893536926.db2.gz YJAGPCYZRSERSK-HXUWFJFHSA-N -1 3 396.487 3.821 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)C(=O)N1c2ccccc2C[C@H]1C ZINC000459572762 893841330 /nfs/dbraw/zinc/84/13/30/893841330.db2.gz PVYHWHAFEIMRBJ-CHWSQXEVSA-N -1 3 389.293 3.611 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000129719734 893890440 /nfs/dbraw/zinc/89/04/40/893890440.db2.gz RSFIFEMWDKLWCX-VIFPVBQESA-N -1 3 383.206 3.830 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000536822014 893892838 /nfs/dbraw/zinc/89/28/38/893892838.db2.gz PFAFIVFBPGPLHM-CQSZACIVSA-N -1 3 380.366 3.662 20 0 GHADHM O=C(/C=C\c1ccccc1Cl)N[N-]C(=O)c1ccccc1Br ZINC000033564590 893915634 /nfs/dbraw/zinc/91/56/34/893915634.db2.gz UPWSFONQOJOAGS-KTKRTIGZSA-N -1 3 379.641 3.577 20 0 GHADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000129750067 893945807 /nfs/dbraw/zinc/94/58/07/893945807.db2.gz BVHTXWLNIZMYCH-AWEZNQCLSA-N -1 3 389.452 3.828 20 0 GHADHM COc1cccc(C[C@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000563641264 894004425 /nfs/dbraw/zinc/00/44/25/894004425.db2.gz RFTQWJGLOJRQHL-OAHLLOKOSA-N -1 3 398.409 3.662 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000918565429 894006435 /nfs/dbraw/zinc/00/64/35/894006435.db2.gz HPRAGLYGHFICJT-UHFFFAOYSA-N -1 3 392.253 3.937 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)[n-]1 ZINC000815774539 894211313 /nfs/dbraw/zinc/21/13/13/894211313.db2.gz CTWOHHKEWBEOFA-FQEVSTJZSA-N -1 3 378.428 3.720 20 0 GHADHM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000537019339 894225101 /nfs/dbraw/zinc/22/51/01/894225101.db2.gz TWWNTRCMISONGW-UHFFFAOYSA-N -1 3 390.336 3.563 20 0 GHADHM O=c1[n-]c(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)nc2c1COCC2 ZINC000878392559 894254871 /nfs/dbraw/zinc/25/48/71/894254871.db2.gz MFOWJUFIVNNBKK-UHFFFAOYSA-N -1 3 392.286 3.851 20 0 GHADHM Cc1ncc([C@H](C)NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)s1 ZINC001170807700 894343463 /nfs/dbraw/zinc/34/34/63/894343463.db2.gz CWSXQDFWRUOTRK-QMMMGPOBSA-N -1 3 397.378 3.683 20 0 GHADHM CC(C)c1ncc(Br)c(C(=O)[N-]c2ncn(C3CCCCC3)n2)n1 ZINC000935348693 894385038 /nfs/dbraw/zinc/38/50/38/894385038.db2.gz UGKMRPHDYYDRRF-UHFFFAOYSA-N -1 3 393.289 3.712 20 0 GHADHM CCC[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000460014175 894517956 /nfs/dbraw/zinc/51/79/56/894517956.db2.gz URMPPONCPWRNNG-GOSISDBHSA-N -1 3 390.505 3.858 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@@H](CO)c3cccc(C(F)(F)F)c3)cc(=O)oc12 ZINC000879116631 894845996 /nfs/dbraw/zinc/84/59/96/894845996.db2.gz WXZYOAISGFVKPF-INIZCTEOSA-N -1 3 393.361 3.649 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC000816622376 894980484 /nfs/dbraw/zinc/98/04/84/894980484.db2.gz DVXXWJFMZQABTH-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM Cc1nc2sc3c(c2c(N2CCC(c4n[n-]c(=O)o4)CC2)n1)CC[C@H](C)C3 ZINC000564580819 895098119 /nfs/dbraw/zinc/09/81/19/895098119.db2.gz BFDCIVCLUITGDM-JTQLQIEISA-N -1 3 385.493 3.597 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816921353 895182878 /nfs/dbraw/zinc/18/28/78/895182878.db2.gz UGMNSIBQFDQKJV-ZDUSSCGKSA-N -1 3 388.386 3.540 20 0 GHADHM O=C(NCCc1ccc(OC(F)F)cc1)c1cc([O-])cc(Br)c1 ZINC001135813326 895318986 /nfs/dbraw/zinc/31/89/86/895318986.db2.gz BDBLTDKYKOVSJS-UHFFFAOYSA-N -1 3 386.192 3.729 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c12 ZINC000565034084 895358688 /nfs/dbraw/zinc/35/86/88/895358688.db2.gz FQHDYAGIGZNVSF-ZDUSSCGKSA-N -1 3 396.516 3.717 20 0 GHADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000565138849 895418846 /nfs/dbraw/zinc/41/88/46/895418846.db2.gz JVNYBMSTACDNRO-UHFFFAOYSA-N -1 3 388.411 3.581 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000817354951 895524944 /nfs/dbraw/zinc/52/49/44/895524944.db2.gz LGMKCUGBYJWKCD-KRWDZBQOSA-N -1 3 386.514 3.694 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)c1nc(C(F)(F)F)cs1 ZINC000645574516 913978258 /nfs/dbraw/zinc/97/82/58/913978258.db2.gz QXQFZYUPHGJLTE-SECBINFHSA-N -1 3 398.403 3.739 20 0 GHADHM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001135967375 895799100 /nfs/dbraw/zinc/79/91/00/895799100.db2.gz SMJAUAHZSOGWQC-UHFFFAOYSA-N -1 3 390.443 3.619 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000817642028 895813157 /nfs/dbraw/zinc/81/31/57/895813157.db2.gz QPXLXVLCYRJJTQ-IRXDYDNUSA-N -1 3 388.508 3.892 20 0 GHADHM CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000817707576 895827984 /nfs/dbraw/zinc/82/79/84/895827984.db2.gz MOUYRKIQZZVMLK-UHFFFAOYSA-N -1 3 394.460 3.660 20 0 GHADHM CCCCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001136023259 895901059 /nfs/dbraw/zinc/90/10/59/895901059.db2.gz WUZYFLBARBOSMP-CQSZACIVSA-N -1 3 386.533 3.991 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000565886181 895957696 /nfs/dbraw/zinc/95/76/96/895957696.db2.gz LHZKDJFBFWWISH-HNNXBMFYSA-N -1 3 383.448 3.593 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc(N)cc1[O-] ZINC000817914101 895960878 /nfs/dbraw/zinc/96/08/78/895960878.db2.gz WLANTDBELJESRI-OKILXGFUSA-N -1 3 381.476 3.653 20 0 GHADHM COCCN(C(=O)c1ccc(N)cc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000817916818 895961157 /nfs/dbraw/zinc/96/11/57/895961157.db2.gz KSBSBEQZXLQQDG-GFCCVEGCSA-N -1 3 382.382 3.843 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1cccs1 ZINC001185720442 914043029 /nfs/dbraw/zinc/04/30/29/914043029.db2.gz IJSORVFLOLKNQF-INIZCTEOSA-N -1 3 385.507 3.892 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826218856 896395288 /nfs/dbraw/zinc/39/52/88/896395288.db2.gz MQDYYTSGFNJRTP-VBKZILBWSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826218856 896395301 /nfs/dbraw/zinc/39/53/01/896395301.db2.gz MQDYYTSGFNJRTP-VBKZILBWSA-N -1 3 375.432 3.909 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)CC(F)F ZINC000645794676 914068781 /nfs/dbraw/zinc/06/87/81/914068781.db2.gz QYYZGCSZOUJXGG-SSDOTTSWSA-N -1 3 376.650 3.672 20 0 GHADHM CSC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826226581 896508321 /nfs/dbraw/zinc/50/83/21/896508321.db2.gz BZZGMCJLHQTHFH-KBPBESRZSA-N -1 3 381.505 3.710 20 0 GHADHM CSC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826226581 896508336 /nfs/dbraw/zinc/50/83/36/896508336.db2.gz BZZGMCJLHQTHFH-KBPBESRZSA-N -1 3 381.505 3.710 20 0 GHADHM CS[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000826226175 896514823 /nfs/dbraw/zinc/51/48/23/896514823.db2.gz UATLCVYNUOGORY-GFCCVEGCSA-N -1 3 384.962 3.584 20 0 GHADHM CS[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000826226175 896514838 /nfs/dbraw/zinc/51/48/38/896514838.db2.gz UATLCVYNUOGORY-GFCCVEGCSA-N -1 3 384.962 3.584 20 0 GHADHM CSc1ccc(C)c(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826230275 896555745 /nfs/dbraw/zinc/55/57/45/896555745.db2.gz MCSRAQCXZGRNED-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM CSc1ccc(C)c(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826230275 896555754 /nfs/dbraw/zinc/55/57/54/896555754.db2.gz MCSRAQCXZGRNED-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccccn1 ZINC000882271570 896739794 /nfs/dbraw/zinc/73/97/94/896739794.db2.gz ZZXYPHXHHJEZAF-SNVBAGLBSA-N -1 3 379.791 3.578 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000129717001 896838171 /nfs/dbraw/zinc/83/81/71/896838171.db2.gz FUAJEQAMNDRNLE-QGZVFWFLSA-N -1 3 382.382 3.889 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000826278612 896865346 /nfs/dbraw/zinc/86/53/46/896865346.db2.gz LPQWEIRZSCSFGJ-UHFFFAOYSA-N -1 3 386.843 3.511 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000826278612 896865361 /nfs/dbraw/zinc/86/53/61/896865361.db2.gz LPQWEIRZSCSFGJ-UHFFFAOYSA-N -1 3 386.843 3.511 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000819766342 896952538 /nfs/dbraw/zinc/95/25/38/896952538.db2.gz XEOKMFCVGFIBCD-CMDGGOBGSA-N -1 3 377.376 3.572 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000819766342 896952543 /nfs/dbraw/zinc/95/25/43/896952543.db2.gz XEOKMFCVGFIBCD-CMDGGOBGSA-N -1 3 377.376 3.572 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(CN4CCCC4)o3)c2)n1 ZINC001136271172 896999031 /nfs/dbraw/zinc/99/90/31/896999031.db2.gz PXFVTJKXYXDMKS-UHFFFAOYSA-N -1 3 392.459 3.853 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)c1[O-] ZINC000819824619 897010523 /nfs/dbraw/zinc/01/05/23/897010523.db2.gz LTOHXDVMWCLXOS-GOSISDBHSA-N -1 3 380.444 3.710 20 0 GHADHM O=C(Cn1c2ccccc2nc1SC(F)F)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218230 897246863 /nfs/dbraw/zinc/24/68/63/897246863.db2.gz IFHATRGFZNZKRT-UHFFFAOYSA-N -1 3 389.387 3.572 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820293179 897252396 /nfs/dbraw/zinc/25/23/96/897252396.db2.gz ICSTYCSABKCERE-SNVBAGLBSA-N -1 3 375.404 3.512 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820293179 897252408 /nfs/dbraw/zinc/25/24/08/897252408.db2.gz ICSTYCSABKCERE-SNVBAGLBSA-N -1 3 375.404 3.512 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342089 897281725 /nfs/dbraw/zinc/28/17/25/897281725.db2.gz SYKBPOWFPPJIFA-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342089 897281730 /nfs/dbraw/zinc/28/17/30/897281730.db2.gz SYKBPOWFPPJIFA-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM Cc1ccccc1CNc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826307807 897389346 /nfs/dbraw/zinc/38/93/46/897389346.db2.gz XILQWFKVTWUUBJ-UHFFFAOYSA-N -1 3 398.470 3.968 20 0 GHADHM Cc1ccccc1CNc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826307807 897389363 /nfs/dbraw/zinc/38/93/63/897389363.db2.gz XILQWFKVTWUUBJ-UHFFFAOYSA-N -1 3 398.470 3.968 20 0 GHADHM COc1ccc(Br)cc1C1(NCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000645973848 914162098 /nfs/dbraw/zinc/16/20/98/914162098.db2.gz TUYWELIDSMZMQF-UHFFFAOYSA-N -1 3 390.281 3.610 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820715301 897489110 /nfs/dbraw/zinc/48/91/10/897489110.db2.gz AINBKZXUAMTEQT-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1c1cccc(F)c1 ZINC000820715301 897489114 /nfs/dbraw/zinc/48/91/14/897489114.db2.gz AINBKZXUAMTEQT-DIFFPNOSSA-N -1 3 384.390 3.760 20 0 GHADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000289379813 914165598 /nfs/dbraw/zinc/16/55/98/914165598.db2.gz OGOVMGGKCOQNKC-AUUYWEPGSA-N -1 3 383.492 3.740 20 0 GHADHM O=S(=O)([N-]c1cccnc1Cl)c1ccc(Br)c(Cl)c1 ZINC000131562703 897515851 /nfs/dbraw/zinc/51/58/51/897515851.db2.gz UHLIIOXFAPOTNY-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1F ZINC000820798517 897555813 /nfs/dbraw/zinc/55/58/13/897555813.db2.gz VSSZGPXWJPZRBK-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1nc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C)s1 ZINC000826323739 897599429 /nfs/dbraw/zinc/59/94/29/897599429.db2.gz POTWVXFQMDCCAN-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323739 897599441 /nfs/dbraw/zinc/59/94/41/897599441.db2.gz POTWVXFQMDCCAN-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(Cl)c1 ZINC001137192227 897718958 /nfs/dbraw/zinc/71/89/58/897718958.db2.gz YCPHLJNMOVJVSM-UHFFFAOYSA-N -1 3 396.900 3.735 20 0 GHADHM CC(C)c1nc([C@H]2CCCCN2c2ccc(=NCc3ccccc3F)[n-]n2)n[nH]1 ZINC000568372600 897789625 /nfs/dbraw/zinc/78/96/25/897789625.db2.gz ZOLSFWFOXPNWEX-QGZVFWFLSA-N -1 3 395.486 3.623 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821337272 897841291 /nfs/dbraw/zinc/84/12/91/897841291.db2.gz FMUPIIYSJICKHL-UHFFFAOYSA-N -1 3 399.457 3.572 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821337272 897841299 /nfs/dbraw/zinc/84/12/99/897841299.db2.gz FMUPIIYSJICKHL-UHFFFAOYSA-N -1 3 399.457 3.572 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821460752 897879880 /nfs/dbraw/zinc/87/98/80/897879880.db2.gz BNFQEPJFJCWTMQ-UHFFFAOYSA-N -1 3 387.896 3.904 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821460752 897879892 /nfs/dbraw/zinc/87/98/92/897879892.db2.gz BNFQEPJFJCWTMQ-UHFFFAOYSA-N -1 3 387.896 3.904 20 0 GHADHM Cc1scc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1C ZINC000826349970 897919903 /nfs/dbraw/zinc/91/99/03/897919903.db2.gz BSJHAACXDAJOEF-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1scc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1C ZINC000826349970 897919911 /nfs/dbraw/zinc/91/99/11/897919911.db2.gz BSJHAACXDAJOEF-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC001136469673 897959013 /nfs/dbraw/zinc/95/90/13/897959013.db2.gz JFAOPINOPUDYNW-CYBMUJFWSA-N -1 3 380.510 3.634 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000102470891 898011360 /nfs/dbraw/zinc/01/13/60/898011360.db2.gz FMDFFFQXMNWPPD-UHFFFAOYSA-N -1 3 393.512 3.638 20 0 GHADHM COc1cc(C)ccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821708658 898023193 /nfs/dbraw/zinc/02/31/93/898023193.db2.gz VFXIYINZZVDEHY-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM COc1cc(C)ccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821708658 898023205 /nfs/dbraw/zinc/02/32/05/898023205.db2.gz VFXIYINZZVDEHY-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM COCc1nc(C)cc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821695954 898031553 /nfs/dbraw/zinc/03/15/53/898031553.db2.gz OUHXTIGJKOLTGY-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185990717 914217100 /nfs/dbraw/zinc/21/71/00/914217100.db2.gz SBTRXTDXKKTIIR-UHFFFAOYSA-N -1 3 395.488 3.732 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1O ZINC000821835317 898087512 /nfs/dbraw/zinc/08/75/12/898087512.db2.gz HRSPQNGJYCMIOL-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1O ZINC000821835317 898087523 /nfs/dbraw/zinc/08/75/23/898087523.db2.gz HRSPQNGJYCMIOL-UHFFFAOYSA-N -1 3 387.399 3.500 20 0 GHADHM O=C(Nc1n[nH]c(-c2ccncc2)n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001136507351 898094696 /nfs/dbraw/zinc/09/46/96/898094696.db2.gz GAEZNSKCUAUCGV-UHFFFAOYSA-N -1 3 385.427 3.610 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3NC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000133157899 898167229 /nfs/dbraw/zinc/16/72/29/898167229.db2.gz SWDCZIBNHGBZHH-UHFFFAOYSA-N -1 3 397.435 3.901 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299163 898310857 /nfs/dbraw/zinc/31/08/57/898310857.db2.gz ADOCLWASDIQGCP-FQEVSTJZSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299163 898310868 /nfs/dbraw/zinc/31/08/68/898310868.db2.gz ADOCLWASDIQGCP-FQEVSTJZSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1cccc([C@H]2CCCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)c1C ZINC000822299513 898311722 /nfs/dbraw/zinc/31/17/22/898311722.db2.gz LHUKIYRAFNDHJW-QGZVFWFLSA-N -1 3 396.520 3.711 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ncccc1[O-] ZINC000822543928 898462109 /nfs/dbraw/zinc/46/21/09/898462109.db2.gz PMJMWXWDAQWJHJ-MRXNPFEDSA-N -1 3 398.463 3.621 20 0 GHADHM CCC[C@@H]1CN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)CCN1Cc1ccccc1 ZINC000569249216 898469009 /nfs/dbraw/zinc/46/90/09/898469009.db2.gz XHBRJGGRJXWQNA-GOSISDBHSA-N -1 3 396.535 3.963 20 0 GHADHM CC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCCCC1 ZINC000569279773 898501601 /nfs/dbraw/zinc/50/16/01/898501601.db2.gz DLAUEMRCAYLQCI-UHFFFAOYSA-N -1 3 393.484 3.655 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1F)[N-]c1ccccc1OCCn1ccnc1 ZINC000800034401 898522747 /nfs/dbraw/zinc/52/27/47/898522747.db2.gz TWBCYRZMPJAFGW-ZROIWOOFSA-N -1 3 387.436 3.514 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000822627753 898546094 /nfs/dbraw/zinc/54/60/94/898546094.db2.gz QANUPSXCBKOZJU-MRXNPFEDSA-N -1 3 384.871 3.616 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000822627753 898546103 /nfs/dbraw/zinc/54/61/03/898546103.db2.gz QANUPSXCBKOZJU-MRXNPFEDSA-N -1 3 384.871 3.616 20 0 GHADHM CC(C)C1(c2ccccc2)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000822755208 898612255 /nfs/dbraw/zinc/61/22/55/898612255.db2.gz LMCIENLLSQSFIV-UHFFFAOYSA-N -1 3 382.410 3.856 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1cccc(C)c1C ZINC000800110353 898614423 /nfs/dbraw/zinc/61/44/23/898614423.db2.gz KMABMMMMQRCSBJ-JXOMPUQVSA-N -1 3 391.464 3.637 20 0 GHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000800207194 898743469 /nfs/dbraw/zinc/74/34/69/898743469.db2.gz PZBMYDSRFBVCPF-KBPBESRZSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000800207194 898743478 /nfs/dbraw/zinc/74/34/78/898743478.db2.gz PZBMYDSRFBVCPF-KBPBESRZSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000800207194 898743487 /nfs/dbraw/zinc/74/34/87/898743487.db2.gz PZBMYDSRFBVCPF-KBPBESRZSA-N -1 3 388.427 3.534 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1c[n-]c2ccccc2c1=O ZINC000646147999 914287769 /nfs/dbraw/zinc/28/77/69/914287769.db2.gz CYRMBTDXZBDEKV-UHFFFAOYSA-N -1 3 383.245 3.710 20 0 GHADHM COc1nc(C)cc(C)c1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000569638132 898840924 /nfs/dbraw/zinc/84/09/24/898840924.db2.gz NUCJMBZTYAOBNR-UHFFFAOYSA-N -1 3 393.472 3.834 20 0 GHADHM O=C(NCCCC(F)(F)F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823187239 898877143 /nfs/dbraw/zinc/87/71/43/898877143.db2.gz HKGMHGFAPPMIKT-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM Cc1c(Br)cc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)c(=O)n1C ZINC000331426333 898882023 /nfs/dbraw/zinc/88/20/23/898882023.db2.gz XWRGPLJEDNQZBD-UHFFFAOYSA-N -1 3 394.294 3.957 20 0 GHADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823355349 898980507 /nfs/dbraw/zinc/98/05/07/898980507.db2.gz AQJPFEHMYFPPHV-UHFFFAOYSA-N -1 3 396.410 3.851 20 0 GHADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823355349 898980516 /nfs/dbraw/zinc/98/05/16/898980516.db2.gz AQJPFEHMYFPPHV-UHFFFAOYSA-N -1 3 396.410 3.851 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000646202332 914320197 /nfs/dbraw/zinc/32/01/97/914320197.db2.gz PMFMHNUXKHAWCU-PMPSAXMXSA-N -1 3 391.471 3.823 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2cccc(Cl)c2)no1 ZINC001171026812 899210444 /nfs/dbraw/zinc/21/04/44/899210444.db2.gz KHDHZLJYAHCCOW-UHFFFAOYSA-N -1 3 382.811 3.796 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000570275711 899236391 /nfs/dbraw/zinc/23/63/91/899236391.db2.gz HEUKLNLCGKEKCY-WOJBJXKFSA-N -1 3 392.499 3.651 20 0 GHADHM O=C(C[C@@H]1CCc2cc(F)ccc2C1)Nc1ncc([O-])cc1Br ZINC001186146501 914328838 /nfs/dbraw/zinc/32/88/38/914328838.db2.gz FCWKWDGGISZGEE-SNVBAGLBSA-N -1 3 379.229 3.823 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2F)no1 ZINC000570309879 899254615 /nfs/dbraw/zinc/25/46/15/899254615.db2.gz RWEUKMUELRVAJC-SECBINFHSA-N -1 3 399.806 3.708 20 0 GHADHM Brc1ccc(NCc2coc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000823831723 899261249 /nfs/dbraw/zinc/26/12/49/899261249.db2.gz AWORJRHNEFTBLR-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1ccc(NCc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000823831723 899261258 /nfs/dbraw/zinc/26/12/58/899261258.db2.gz AWORJRHNEFTBLR-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CCOc1ccc(-c2nc(CN(CCC(=O)[O-])C3CCOCC3)cs2)cc1 ZINC000570395202 899302158 /nfs/dbraw/zinc/30/21/58/899302158.db2.gz GQTHKGURKLUCFF-UHFFFAOYSA-N -1 3 390.505 3.665 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000824015460 899334027 /nfs/dbraw/zinc/33/40/27/899334027.db2.gz WIABVXMTPJPJSZ-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000824015460 899334039 /nfs/dbraw/zinc/33/40/39/899334039.db2.gz WIABVXMTPJPJSZ-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824029712 899351125 /nfs/dbraw/zinc/35/11/25/899351125.db2.gz QACUIJWDQKVRHI-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824029712 899351138 /nfs/dbraw/zinc/35/11/38/899351138.db2.gz QACUIJWDQKVRHI-HNNXBMFYSA-N -1 3 394.431 3.533 20 0 GHADHM O=S(=O)([N-]Cc1cnc(C2CC2)o1)c1cc(Cl)ccc1C(F)(F)F ZINC000570594503 899421073 /nfs/dbraw/zinc/42/10/73/899421073.db2.gz DGFADWHPHAEPEG-UHFFFAOYSA-N -1 3 380.775 3.703 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC001186185601 914348772 /nfs/dbraw/zinc/34/87/72/914348772.db2.gz CJPKXPAWIWMNMA-XIRDDKMYSA-N -1 3 399.528 3.989 20 0 GHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824243417 899489657 /nfs/dbraw/zinc/48/96/57/899489657.db2.gz FUUCWJUAEAHNIN-QWHCGFSZSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824243417 899489661 /nfs/dbraw/zinc/48/96/61/899489661.db2.gz FUUCWJUAEAHNIN-QWHCGFSZSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000824319550 899526007 /nfs/dbraw/zinc/52/60/07/899526007.db2.gz UDVGNOQTPIWWQK-LXZKKBNFSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000824319550 899526017 /nfs/dbraw/zinc/52/60/17/899526017.db2.gz UDVGNOQTPIWWQK-LXZKKBNFSA-N -1 3 384.484 3.696 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@H]1c1ccccc1 ZINC000570719087 899531405 /nfs/dbraw/zinc/53/14/05/899531405.db2.gz JKTHBCWBICSCOD-JKSUJKDBSA-N -1 3 378.241 3.888 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824393237 899580672 /nfs/dbraw/zinc/58/06/72/899580672.db2.gz QYPLFYLHOUIWTG-ZANVPECISA-N -1 3 394.298 3.615 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824393237 899580681 /nfs/dbraw/zinc/58/06/81/899580681.db2.gz QYPLFYLHOUIWTG-ZANVPECISA-N -1 3 394.298 3.615 20 0 GHADHM C[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478286 899621208 /nfs/dbraw/zinc/62/12/08/899621208.db2.gz GICXAQGJPIGCOD-MGPUTAFESA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478286 899621214 /nfs/dbraw/zinc/62/12/14/899621214.db2.gz GICXAQGJPIGCOD-MGPUTAFESA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)N(C)CC(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490427 899632428 /nfs/dbraw/zinc/63/24/28/899632428.db2.gz PEQWFZYNLKQQRX-LBPRGKRZSA-N -1 3 386.406 3.501 20 0 GHADHM C[C@H](NC(=O)N(C)CC(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490427 899632430 /nfs/dbraw/zinc/63/24/30/899632430.db2.gz PEQWFZYNLKQQRX-LBPRGKRZSA-N -1 3 386.406 3.501 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824492022 899635163 /nfs/dbraw/zinc/63/51/63/899635163.db2.gz WQKHRKQZJCDYOH-KBPBESRZSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824492022 899635169 /nfs/dbraw/zinc/63/51/69/899635169.db2.gz WQKHRKQZJCDYOH-KBPBESRZSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520799 899656902 /nfs/dbraw/zinc/65/69/02/899656902.db2.gz FLOSATDBPDJGRR-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520799 899656905 /nfs/dbraw/zinc/65/69/05/899656905.db2.gz FLOSATDBPDJGRR-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NCc1nccn1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824632726 899728323 /nfs/dbraw/zinc/72/83/23/899728323.db2.gz CMNROJNOTOWDOJ-KRWDZBQOSA-N -1 3 387.491 3.547 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C)(C)CC3)nc(=O)c2c1C ZINC000332607615 899794037 /nfs/dbraw/zinc/79/40/37/899794037.db2.gz JTFPRIRNSUKESX-GFCCVEGCSA-N -1 3 377.510 3.653 20 0 GHADHM CC1(C)CCC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000824801976 899816038 /nfs/dbraw/zinc/81/60/38/899816038.db2.gz IUZOHHCYSCVHOX-HNNXBMFYSA-N -1 3 395.429 3.974 20 0 GHADHM CC1(C)CCC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000824801976 899816048 /nfs/dbraw/zinc/81/60/48/899816048.db2.gz IUZOHHCYSCVHOX-HNNXBMFYSA-N -1 3 395.429 3.974 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824865316 899843588 /nfs/dbraw/zinc/84/35/88/899843588.db2.gz HLHNCJUXFWFOFZ-FZMZJTMJSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824865316 899843594 /nfs/dbraw/zinc/84/35/94/899843594.db2.gz HLHNCJUXFWFOFZ-FZMZJTMJSA-N -1 3 381.461 3.539 20 0 GHADHM COc1cc(C(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000571475062 899878960 /nfs/dbraw/zinc/87/89/60/899878960.db2.gz KIVNWRULUNASGL-OALUTQOASA-N -1 3 385.460 3.728 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1C ZINC000825114626 899987651 /nfs/dbraw/zinc/98/76/51/899987651.db2.gz PCQWOVNETIAFRC-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1C ZINC000825114626 899987656 /nfs/dbraw/zinc/98/76/56/899987656.db2.gz PCQWOVNETIAFRC-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM COc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)c1OC ZINC000805887539 900042125 /nfs/dbraw/zinc/04/21/25/900042125.db2.gz FDRWFMWNVXNOED-UHFFFAOYSA-N -1 3 380.400 3.702 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000825305007 900079715 /nfs/dbraw/zinc/07/97/15/900079715.db2.gz QXXQJXAXCOAYIA-LJQANCHMSA-N -1 3 397.519 3.877 20 0 GHADHM O=C(C=Cc1ccsc1C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304706 900079802 /nfs/dbraw/zinc/07/98/02/900079802.db2.gz HBPKLPZQCOFCKN-PLNGDYQASA-N -1 3 383.395 3.860 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000825305006 900080743 /nfs/dbraw/zinc/08/07/43/900080743.db2.gz QXXQJXAXCOAYIA-IBGZPJMESA-N -1 3 397.519 3.877 20 0 GHADHM O=C(C=Cc1ccccc1C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305322 900083802 /nfs/dbraw/zinc/08/38/02/900083802.db2.gz VSOGILGBQBPWLC-CMDGGOBGSA-N -1 3 377.366 3.798 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000572187108 900095829 /nfs/dbraw/zinc/09/58/29/900095829.db2.gz DDHAWCAKLONOPD-SFHLNBCPSA-N -1 3 383.463 3.885 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000572187110 900096132 /nfs/dbraw/zinc/09/61/32/900096132.db2.gz DDHAWCAKLONOPD-SVFBPWRDSA-N -1 3 383.463 3.885 20 0 GHADHM CCCOC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332597 900099406 /nfs/dbraw/zinc/09/94/06/900099406.db2.gz JLWIZCQWUCKTMJ-GJZGRUSLSA-N -1 3 379.464 3.526 20 0 GHADHM CCCOC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332597 900099411 /nfs/dbraw/zinc/09/94/11/900099411.db2.gz JLWIZCQWUCKTMJ-GJZGRUSLSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(I)cc1[O-])c1cccc(F)c1 ZINC001154104293 900144962 /nfs/dbraw/zinc/14/49/62/900144962.db2.gz PEXGKHXTEJYFEI-SECBINFHSA-N -1 3 385.176 3.878 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000884568307 900176357 /nfs/dbraw/zinc/17/63/57/900176357.db2.gz HPPSTVSMNYVZLJ-JKSUJKDBSA-N -1 3 382.441 3.632 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N(C1CC1)C1CCCC1 ZINC000826420931 900224020 /nfs/dbraw/zinc/22/40/20/900224020.db2.gz JOUPPDCUIQAMGQ-UHFFFAOYSA-N -1 3 377.901 3.546 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000826420931 900224032 /nfs/dbraw/zinc/22/40/32/900224032.db2.gz JOUPPDCUIQAMGQ-UHFFFAOYSA-N -1 3 377.901 3.546 20 0 GHADHM O=C1CCC(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000572990779 900331065 /nfs/dbraw/zinc/33/10/65/900331065.db2.gz DZHVEPOYMZSTHX-UHFFFAOYSA-N -1 3 388.225 3.511 20 0 GHADHM CCCCc1ncc(CN2CCC3(COC3)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748669 900475596 /nfs/dbraw/zinc/47/55/96/900475596.db2.gz VFDFEIZUTHCEEG-UHFFFAOYSA-N -1 3 397.519 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCCCS1 ZINC000826455358 900627468 /nfs/dbraw/zinc/62/74/68/900627468.db2.gz KRJQVZLOPFQRRR-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCCCS1 ZINC000826455358 900627472 /nfs/dbraw/zinc/62/74/72/900627472.db2.gz KRJQVZLOPFQRRR-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2F)ccc1F ZINC000046143833 900666424 /nfs/dbraw/zinc/66/64/24/900666424.db2.gz NLPRJVSDHUYKLV-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM COc1cc(C(=O)NCc2ccncc2OCCC(C)(C)C)cc(OC)c1[O-] ZINC000573874800 900676865 /nfs/dbraw/zinc/67/68/65/900676865.db2.gz AWXAQSCGLFMAMU-UHFFFAOYSA-N -1 3 388.464 3.549 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2c(Cl)ccc3cccnc32)cc1 ZINC000046235084 900758393 /nfs/dbraw/zinc/75/83/93/900758393.db2.gz JRVRPQPJZKRULC-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM Cc1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC001186369253 914478852 /nfs/dbraw/zinc/47/88/52/914478852.db2.gz JHOYXHNYKAFARY-UHFFFAOYSA-N -1 3 377.359 3.554 20 0 GHADHM C[C@@H](S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)N(C)C ZINC000056229937 900873448 /nfs/dbraw/zinc/87/34/48/900873448.db2.gz NTSDUYWGAYTDJA-NXEZZACHSA-N -1 3 377.491 3.516 20 0 GHADHM CCN(CC)[C@H](CN=c1[n-]nc(-c2ccccn2)s1)c1cccc(OC)c1 ZINC000574716982 900978443 /nfs/dbraw/zinc/97/84/43/900978443.db2.gz CDYHCMHVNXFIRH-GOSISDBHSA-N -1 3 383.521 3.526 20 0 GHADHM CC1CCC(C)([N-]S(=O)(=O)c2ccc(I)s2)CC1 ZINC001186376490 914513260 /nfs/dbraw/zinc/51/32/60/914513260.db2.gz ILAVZGVBVDOYNK-UHFFFAOYSA-N -1 3 399.319 3.600 20 0 GHADHM O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1ccc([O-])c(Br)c1 ZINC000845065578 901762013 /nfs/dbraw/zinc/76/20/13/901762013.db2.gz WOAYXAFYEWKCDC-SNVBAGLBSA-N -1 3 396.112 3.928 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1C ZINC000124893135 902133107 /nfs/dbraw/zinc/13/31/07/902133107.db2.gz KVCKIGPHOGBFDV-UHFFFAOYSA-N -1 3 379.457 3.714 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cnc(Cl)c(Cl)c1 ZINC000158800641 902139526 /nfs/dbraw/zinc/13/95/26/902139526.db2.gz GBYJYZMWEMGCKC-MRXNPFEDSA-N -1 3 394.283 3.851 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C[C@H]3CCCO3)C(F)(F)F)c2)n1 ZINC000845475071 902191665 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CN(C)C(=O)CCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129504916 902818514 /nfs/dbraw/zinc/81/85/14/902818514.db2.gz WYWHBEZMKZKXOW-UHFFFAOYSA-N -1 3 383.473 3.866 20 0 GHADHM CCCOc1ccc(Br)cc1CN1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000846280760 902843327 /nfs/dbraw/zinc/84/33/27/902843327.db2.gz HMZVDFQKJTXLJE-KDOFPFPSSA-N -1 3 382.298 3.925 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577744419 903150561 /nfs/dbraw/zinc/15/05/61/903150561.db2.gz MMXGZPPUHZVJLK-UHFFFAOYSA-N -1 3 389.280 3.932 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2nc(C3CCCCC3)cs2)CC1 ZINC000577813379 903226763 /nfs/dbraw/zinc/22/67/63/903226763.db2.gz SFQOQKBFNFAYMD-UHFFFAOYSA-N -1 3 385.533 3.854 20 0 GHADHM CCCCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1[C@H](CC)N(C)C ZINC000135065826 903620913 /nfs/dbraw/zinc/62/09/13/903620913.db2.gz CXVDLMJELZYDLS-KGLIPLIRSA-N -1 3 378.546 3.748 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2ccc3[nH][n-]c(=O)c3c2)ccc1OCC(C)C ZINC000646666144 914757768 /nfs/dbraw/zinc/75/77/68/914757768.db2.gz CPSKDODBUXMMAW-ZDUSSCGKSA-N -1 3 383.448 3.803 20 0 GHADHM CCCCCC[C@@](C)([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OCC ZINC001186722738 914779787 /nfs/dbraw/zinc/77/97/87/914779787.db2.gz MLMHUIHGBZKFNS-HXUWFJFHSA-N -1 3 395.521 3.632 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1sccc1Br)c1nccs1 ZINC000151485397 904142994 /nfs/dbraw/zinc/14/29/94/904142994.db2.gz HRXWQQQLFOZRSM-NSHDSACASA-N -1 3 381.342 3.571 20 0 GHADHM CC(=O)c1cc(C(=O)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)ccc1[O-] ZINC001148662362 904162102 /nfs/dbraw/zinc/16/21/02/904162102.db2.gz KFUISNJUSLSNOT-XXBNENTESA-N -1 3 379.456 3.774 20 0 GHADHM O=C(CCc1nnc(C2CCCC2)o1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152160141 904240579 /nfs/dbraw/zinc/24/05/79/904240579.db2.gz HKYOEYLUBSTVBI-UHFFFAOYSA-N -1 3 383.370 3.927 20 0 GHADHM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000579205259 904427665 /nfs/dbraw/zinc/42/76/65/904427665.db2.gz UFGHYMWMZQMEEP-YWZLYKJASA-N -1 3 393.443 3.568 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H]1C1CCCC1 ZINC000889400563 904556541 /nfs/dbraw/zinc/55/65/41/904556541.db2.gz MCJRXVCPWPIOQB-INIZCTEOSA-N -1 3 375.266 3.695 20 0 GHADHM CC(C)(C)OC(=O)C1(C)CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC001171479693 904751483 /nfs/dbraw/zinc/75/14/83/904751483.db2.gz LBYDYPNLZJUQQG-UHFFFAOYSA-N -1 3 383.492 3.793 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000579640202 904761134 /nfs/dbraw/zinc/76/11/34/904761134.db2.gz PCXOAHCSLQGFFH-CYBMUJFWSA-N -1 3 388.917 3.796 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646784743 914848454 /nfs/dbraw/zinc/84/84/54/914848454.db2.gz CPWKLNULFZACKP-QWHCGFSZSA-N -1 3 386.414 3.568 20 0 GHADHM CC(C)(c1nnc(NC(=O)c2nc[n-]c2C(F)(F)F)s1)c1ccccc1 ZINC000826692782 905037449 /nfs/dbraw/zinc/03/74/49/905037449.db2.gz JBVRXVRKRHSZBR-UHFFFAOYSA-N -1 3 381.383 3.858 20 0 GHADHM CC[C@@H](C)c1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000626654070 905210437 /nfs/dbraw/zinc/21/04/37/905210437.db2.gz SQUIWLHJMBUYAF-MRXNPFEDSA-N -1 3 381.476 3.896 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000175716862 905644593 /nfs/dbraw/zinc/64/45/93/905644593.db2.gz GTGMSDZZAGMDCL-OCCSQVGLSA-N -1 3 375.900 3.623 20 0 GHADHM CCOc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000901499653 921174434 /nfs/dbraw/zinc/17/44/34/921174434.db2.gz ODFHBCWTFKMSBB-CQSZACIVSA-N -1 3 387.398 3.713 20 0 GHADHM CCCCNC(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000177396672 906124443 /nfs/dbraw/zinc/12/44/43/906124443.db2.gz VNEQCQZYLSIULA-UHFFFAOYSA-N -1 3 396.487 3.953 20 0 GHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000190651475 906206271 /nfs/dbraw/zinc/20/62/71/906206271.db2.gz KDHPUXFVDXFIOU-ZDUSSCGKSA-N -1 3 380.297 3.814 20 0 GHADHM C[C@H](CCc1ccc(Cl)c(Cl)c1)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001173545642 906518696 /nfs/dbraw/zinc/51/86/96/906518696.db2.gz ZTOPUJKBDGEVMN-SSDOTTSWSA-N -1 3 385.276 3.884 20 0 GHADHM O=C(NCc1ccccc1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191191282 906732377 /nfs/dbraw/zinc/73/23/77/906732377.db2.gz YRQLFRLUNZYYAX-UHFFFAOYSA-N -1 3 376.859 3.713 20 0 GHADHM CCCOc1ccc(OCCN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000629367504 906741013 /nfs/dbraw/zinc/74/10/13/906741013.db2.gz MMHVTRCONLKTKV-UHFFFAOYSA-N -1 3 390.505 3.889 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000629373920 906745978 /nfs/dbraw/zinc/74/59/78/906745978.db2.gz QBPYYGDGZMLAGN-RRFJBIMHSA-N -1 3 395.381 3.831 20 0 GHADHM O=C(c1cccc(Nc2ncc(Br)cc2[O-])c1)N1CCCCC1 ZINC001174173244 906864258 /nfs/dbraw/zinc/86/42/58/906864258.db2.gz RINOCDWMKRZXRP-UHFFFAOYSA-N -1 3 376.254 3.919 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1CC(F)(F)F ZINC000629814766 907026253 /nfs/dbraw/zinc/02/62/53/907026253.db2.gz OWEMAEIAHNIPIV-UHFFFAOYSA-N -1 3 381.398 3.823 20 0 GHADHM COc1ccc(Cn2cc(Nc3ncc(Br)cc3[O-])cn2)cc1 ZINC001174435547 907028422 /nfs/dbraw/zinc/02/84/22/907028422.db2.gz WTPLXPZFHLPGBV-UHFFFAOYSA-N -1 3 375.226 3.547 20 0 GHADHM CCOc1nnc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)[n-]1 ZINC001174745003 907204954 /nfs/dbraw/zinc/20/49/54/907204954.db2.gz LGBATTOWTOKIFK-OAHLLOKOSA-N -1 3 390.802 3.755 20 0 GHADHM CCOc1nc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n[n-]1 ZINC001174745003 907204966 /nfs/dbraw/zinc/20/49/66/907204966.db2.gz LGBATTOWTOKIFK-OAHLLOKOSA-N -1 3 390.802 3.755 20 0 GHADHM CCOc1n[n-]c(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 ZINC001174745003 907204978 /nfs/dbraw/zinc/20/49/78/907204978.db2.gz LGBATTOWTOKIFK-OAHLLOKOSA-N -1 3 390.802 3.755 20 0 GHADHM O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001174754123 907207824 /nfs/dbraw/zinc/20/78/24/907207824.db2.gz LPHJAMUXPIZEDL-QGZVFWFLSA-N -1 3 397.456 3.927 20 0 GHADHM O=C([O-])C1(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCCCC1 ZINC000299364466 921304055 /nfs/dbraw/zinc/30/40/55/921304055.db2.gz WDYHHXZPKXUBFJ-FQEVSTJZSA-N -1 3 386.536 3.973 20 0 GHADHM COc1ccc(N[C@@H](C)c2cccc(OC(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000182731926 907257148 /nfs/dbraw/zinc/25/71/48/907257148.db2.gz OLRFARZQQPBLKD-NSHDSACASA-N -1 3 386.420 3.841 20 0 GHADHM CC(C)Oc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1Br ZINC000630539667 907315058 /nfs/dbraw/zinc/31/50/58/907315058.db2.gz VYCMFUFSHVINHA-JTQLQIEISA-N -1 3 395.175 3.614 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(C)C)C2)c1 ZINC000183194992 907348915 /nfs/dbraw/zinc/34/89/15/907348915.db2.gz UJVGETSRHGTBEM-HNNXBMFYSA-N -1 3 385.464 3.839 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000183482140 907397811 /nfs/dbraw/zinc/39/78/11/907397811.db2.gz GJGAOTCMVKJWAM-JTQLQIEISA-N -1 3 392.550 3.660 20 0 GHADHM COCCOc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC001175431550 907550259 /nfs/dbraw/zinc/55/02/59/907550259.db2.gz IKTKYLCACZQLKT-UHFFFAOYSA-N -1 3 379.342 3.654 20 0 GHADHM Cc1ccc(I)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430498 907550291 /nfs/dbraw/zinc/55/02/91/907550291.db2.gz USQKLOSBHNFDSY-UHFFFAOYSA-N -1 3 377.189 3.523 20 0 GHADHM O=C([O-])c1nnn(C2CCN(Cc3cc4cc(F)ccc4o3)CC2)c1C(F)F ZINC000901545030 921344094 /nfs/dbraw/zinc/34/40/94/921344094.db2.gz XOAHBEGCQIGTJI-UHFFFAOYSA-N -1 3 394.353 3.636 20 0 GHADHM O=C([O-])CC[C@@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000901553927 921354274 /nfs/dbraw/zinc/35/42/74/921354274.db2.gz RVLRQWCTSYZNAP-AWEZNQCLSA-N -1 3 392.297 3.712 20 0 GHADHM COc1nscc1[N-]C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC001176768861 908259111 /nfs/dbraw/zinc/25/91/11/908259111.db2.gz OZVNYPPEWXYYCX-UHFFFAOYSA-N -1 3 379.438 3.887 20 0 GHADHM COc1ccc(C(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c([O-])c1 ZINC001176863642 908278582 /nfs/dbraw/zinc/27/85/82/908278582.db2.gz JDSSWDBAMYUTRU-UHFFFAOYSA-N -1 3 390.411 3.817 20 0 GHADHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc([O-])ccc1C(F)(F)F ZINC000193640750 908589598 /nfs/dbraw/zinc/58/95/98/908589598.db2.gz NFWSIPULBJOQSP-UHFFFAOYSA-N -1 3 375.690 3.730 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@@H]1c1ccccc1 ZINC001177603361 908664122 /nfs/dbraw/zinc/66/41/22/908664122.db2.gz WYUADAPAUZCOLP-UGSOOPFHSA-N -1 3 392.908 3.935 20 0 GHADHM Cc1cc(C)c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1Br ZINC001177649920 908700452 /nfs/dbraw/zinc/70/04/52/908700452.db2.gz ZQFVJFJRYZPMIO-UHFFFAOYSA-N -1 3 390.281 3.677 20 0 GHADHM COCCN(CCC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000901663609 921446781 /nfs/dbraw/zinc/44/67/81/921446781.db2.gz MFOKQTVPDJDDII-UHFFFAOYSA-N -1 3 382.254 3.632 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000795203323 909320629 /nfs/dbraw/zinc/32/06/29/909320629.db2.gz HKYSTIPTOUJOHR-CYBMUJFWSA-N -1 3 390.155 3.846 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CC=Cc2ccc(Br)cc2)[n-]n1 ZINC001179082090 909377508 /nfs/dbraw/zinc/37/75/08/909377508.db2.gz JIGSZYDSXFKYEO-ONEGZZNKSA-N -1 3 392.253 3.779 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CC=Cc2ccc(Br)cc2)n[n-]1 ZINC001179082090 909377528 /nfs/dbraw/zinc/37/75/28/909377528.db2.gz JIGSZYDSXFKYEO-ONEGZZNKSA-N -1 3 392.253 3.779 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)n1 ZINC000636113128 909432969 /nfs/dbraw/zinc/43/29/69/909432969.db2.gz UDWCBIRCQJUVTF-TZMCWYRMSA-N -1 3 377.847 3.828 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000636115966 909434765 /nfs/dbraw/zinc/43/47/65/909434765.db2.gz XZPDSHNEXOCENU-UHFFFAOYSA-N -1 3 392.381 3.666 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Cl)ccc2Br)n1 ZINC000636115011 909435263 /nfs/dbraw/zinc/43/52/63/909435263.db2.gz SVXINAZBNZSVCT-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)n1 ZINC000636115500 909436958 /nfs/dbraw/zinc/43/69/58/909436958.db2.gz ZUPBUALUMGHXOK-UHFFFAOYSA-N -1 3 378.476 3.906 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n1 ZINC000636115879 909438037 /nfs/dbraw/zinc/43/80/37/909438037.db2.gz VXJQYCZOGCQVCJ-CHWSQXEVSA-N -1 3 395.381 3.544 20 0 GHADHM COc1ccccc1-c1nc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cs1 ZINC000636319081 909537126 /nfs/dbraw/zinc/53/71/26/909537126.db2.gz LPRIDRBGUSXVAB-UHFFFAOYSA-N -1 3 396.472 3.512 20 0 GHADHM CC(C)(C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Cl)cc1F ZINC000636320727 909541104 /nfs/dbraw/zinc/54/11/04/909541104.db2.gz IMFNLXKKRCCCPS-UHFFFAOYSA-N -1 3 377.847 3.836 20 0 GHADHM Cc1c(F)c(Br)ccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636322097 909541702 /nfs/dbraw/zinc/54/17/02/909541702.db2.gz MXPPBODNYWAKKP-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000636322363 909543726 /nfs/dbraw/zinc/54/37/26/909543726.db2.gz DUXRVNFSNHSNFG-UHFFFAOYSA-N -1 3 387.430 3.856 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cs1 ZINC000267653964 909575234 /nfs/dbraw/zinc/57/52/34/909575234.db2.gz VJGOKZJSNSOCTD-VIFPVBQESA-N -1 3 395.333 3.944 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000637376281 909798292 /nfs/dbraw/zinc/79/82/92/909798292.db2.gz MBAYMPBLXCPNNO-NSHDSACASA-N -1 3 395.715 3.559 20 0 GHADHM O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)c1cc2c(cc1[O-])OCO2 ZINC001179974046 909842939 /nfs/dbraw/zinc/84/29/39/909842939.db2.gz CZMLFQILHDHDCK-UHFFFAOYSA-N -1 3 398.802 3.892 20 0 GHADHM Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954822 909864157 /nfs/dbraw/zinc/86/41/57/909864157.db2.gz NFXHRZXTTSQFDS-MRXNPFEDSA-N -1 3 377.444 3.892 20 0 GHADHM Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954822 909864165 /nfs/dbraw/zinc/86/41/65/909864165.db2.gz NFXHRZXTTSQFDS-MRXNPFEDSA-N -1 3 377.444 3.892 20 0 GHADHM Cc1c(Cl)ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC001180011618 909882819 /nfs/dbraw/zinc/88/28/19/909882819.db2.gz QQJIVTYSHGRYOE-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001180029086 909898838 /nfs/dbraw/zinc/89/88/38/909898838.db2.gz YKBGWLYNUPMQHT-QOQLHOOGSA-N -1 3 386.540 3.510 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1sc2ncccc2c1Cl ZINC001180226285 910025831 /nfs/dbraw/zinc/02/58/31/910025831.db2.gz QNRKTYGLTIWSED-XYPYZODXSA-N -1 3 388.880 3.902 20 0 GHADHM C[C@H](O)c1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)ccc1F ZINC000795387045 910151975 /nfs/dbraw/zinc/15/19/75/910151975.db2.gz JWMQJJOEWFAMSP-UWVGGRQHSA-N -1 3 385.844 3.657 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000269150780 910162813 /nfs/dbraw/zinc/16/28/13/910162813.db2.gz RXTGYHHKHUOYIR-JTQLQIEISA-N -1 3 398.244 3.806 20 0 GHADHM CCO[C@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2Br)C12CCCC2 ZINC000901781210 921558171 /nfs/dbraw/zinc/55/81/71/921558171.db2.gz BKBNUYPMIDWNMK-HOTGVXAUSA-N -1 3 382.298 3.975 20 0 GHADHM CC1(C)CN(CC(F)(F)F)CCN1Cc1cccc([O-])c1Br ZINC001180612645 910247625 /nfs/dbraw/zinc/24/76/25/910247625.db2.gz KFKNHSVYXJAHCH-UHFFFAOYSA-N -1 3 381.236 3.613 20 0 GHADHM O=C([O-])C1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCCC1 ZINC000901784766 921561449 /nfs/dbraw/zinc/56/14/49/921561449.db2.gz TYNYBRTZPZOSLF-UHFFFAOYSA-N -1 3 383.279 3.699 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CCCc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC001181326507 910712696 /nfs/dbraw/zinc/71/26/96/910712696.db2.gz CJDOMHKERBGECK-INIZCTEOSA-N -1 3 385.464 3.642 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000640295633 910956800 /nfs/dbraw/zinc/95/68/00/910956800.db2.gz ZCQYGLBJTHVTDR-LLVKDONJSA-N -1 3 394.825 3.524 20 0 GHADHM Cc1cnc([C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C2CC2)s1 ZINC000640295158 910957021 /nfs/dbraw/zinc/95/70/21/910957021.db2.gz PXAATCXLACEALF-JTQLQIEISA-N -1 3 393.822 3.558 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCCCC[C@H]2c2ccccc2)[n-]1 ZINC000640308638 910963726 /nfs/dbraw/zinc/96/37/26/910963726.db2.gz JNPYEIGGQJWCPR-HNNXBMFYSA-N -1 3 377.286 3.754 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1C ZINC000795558198 911127400 /nfs/dbraw/zinc/12/74/00/911127400.db2.gz SLCCWUXZECEYOT-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM CCC(=O)c1cn(Cc2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)nn1 ZINC000640837767 911209252 /nfs/dbraw/zinc/20/92/52/911209252.db2.gz BYOQDFJVBWDKQA-UHFFFAOYSA-N -1 3 393.472 3.913 20 0 GHADHM CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2[O-])nc1-c1ccccc1 ZINC001182262035 911395992 /nfs/dbraw/zinc/39/59/92/911395992.db2.gz PLLGQPDNPJLHNS-UHFFFAOYSA-N -1 3 398.440 3.953 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](CC(=O)[O-])CC(C)(C)C ZINC000283773580 911642663 /nfs/dbraw/zinc/64/26/63/911642663.db2.gz CHEIKFBADMQYEK-ZDUSSCGKSA-N -1 3 375.918 3.503 20 0 GHADHM O=C([O-])[C@@]1(O)CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000901900823 921717048 /nfs/dbraw/zinc/71/70/48/921717048.db2.gz HSYKPCIPLGKYLH-GOSISDBHSA-N -1 3 381.350 3.519 20 0 GHADHM O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000543749512 912141959 /nfs/dbraw/zinc/14/19/59/912141959.db2.gz MQCMLFXFAWMBIG-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM COc1cc2c(cc1NC(=O)CNC(=O)c1ccc([O-])cc1)oc1ccccc12 ZINC001182972439 912194235 /nfs/dbraw/zinc/19/42/35/912194235.db2.gz UMMRRZYZCBKFFB-UHFFFAOYSA-N -1 3 390.395 3.669 20 0 GHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000642604541 912206262 /nfs/dbraw/zinc/20/62/62/912206262.db2.gz IEKGIEQCSORUFR-FQEVSTJZSA-N -1 3 398.459 3.625 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1ccc2c([O-])coc2c1 ZINC000642608821 912211898 /nfs/dbraw/zinc/21/18/98/912211898.db2.gz PQOXCQSAFWKQBU-UHFFFAOYSA-N -1 3 395.499 3.914 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000291075929 914959755 /nfs/dbraw/zinc/95/97/55/914959755.db2.gz ZAIPOBSYTBHGJF-UHFFFAOYSA-N -1 3 397.406 3.651 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000291094004 914970554 /nfs/dbraw/zinc/97/05/54/914970554.db2.gz JQUPDUNJSSGYCZ-VXGBXAGGSA-N -1 3 391.821 3.501 20 0 GHADHM O=c1cc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n(C2CCCC2)[n-]1 ZINC001187036060 915007703 /nfs/dbraw/zinc/00/77/03/915007703.db2.gz NXTRPNMOTQHELG-UHFFFAOYSA-N -1 3 390.292 3.953 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccc(F)cc1 ZINC001187424040 915239439 /nfs/dbraw/zinc/23/94/39/915239439.db2.gz OPOTYWJHDACUSP-INIZCTEOSA-N -1 3 392.477 3.615 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1C ZINC001187466451 915277615 /nfs/dbraw/zinc/27/76/15/915277615.db2.gz UHABNWNRQACOIC-UHFFFAOYSA-N -1 3 377.462 3.756 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)Oc1ccc(F)cc1 ZINC001187433877 915289455 /nfs/dbraw/zinc/28/94/55/915289455.db2.gz PRCACQIJMNIPGO-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C12CCCC2 ZINC001187612593 915382253 /nfs/dbraw/zinc/38/22/53/915382253.db2.gz VLEDPFHQLIJMFB-IAGOWNOFSA-N -1 3 381.469 3.896 20 0 GHADHM Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187766184 915512383 /nfs/dbraw/zinc/51/23/83/915512383.db2.gz JNHLBWAPNBOPFQ-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187766184 915512398 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COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)c1ccc2ccccc2c1 ZINC001188507737 916022065 /nfs/dbraw/zinc/02/20/65/916022065.db2.gz PMLMBDQAORIVGW-LJQANCHMSA-N -1 3 389.517 3.800 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)CC3 ZINC001188663574 916085727 /nfs/dbraw/zinc/08/57/27/916085727.db2.gz KHWDAINTYVAMMC-ZDUSSCGKSA-N -1 3 389.908 3.669 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccnc(Br)c2)c([O-])c1 ZINC001188620652 916086885 /nfs/dbraw/zinc/08/68/85/916086885.db2.gz LEFZFMRLYDPYDD-UHFFFAOYSA-N -1 3 393.237 3.757 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cc(F)c(F)cc1F ZINC001188675821 916101677 /nfs/dbraw/zinc/10/16/77/916101677.db2.gz GIZVQZZEGCSREL-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1F ZINC001188722601 916154757 /nfs/dbraw/zinc/15/47/57/916154757.db2.gz SCUXDBARIGPDBL-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)[C@H](C)[C@H]1OC ZINC001188741092 916169895 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Cc1cc(C(=O)NN=Cc2cc(Br)ccc2[O-])c2ccccc2n1 ZINC000254484319 916738414 /nfs/dbraw/zinc/73/84/14/916738414.db2.gz JGMDMFQBYZQFOE-UHFFFAOYSA-N -1 3 384.233 3.775 20 0 GHADHM CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)cs1 ZINC000294591640 916877581 /nfs/dbraw/zinc/87/75/81/916877581.db2.gz MPFPDKNKEKKXDS-UHFFFAOYSA-N -1 3 387.383 3.837 20 0 GHADHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189725764 916885737 /nfs/dbraw/zinc/88/57/37/916885737.db2.gz DECWCSMDBKIQMG-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1CCC2(Cc3ccccc3O2)CC1 ZINC001189762908 916898486 /nfs/dbraw/zinc/89/84/86/916898486.db2.gz NSYFVYHZLJIZAX-UHFFFAOYSA-N -1 3 393.361 3.901 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(O)CCC1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189764854 916900088 /nfs/dbraw/zinc/90/00/88/916900088.db2.gz GWUWCZWEAMUCOC-MRXNPFEDSA-N -1 3 381.350 3.677 20 0 GHADHM O=S(=O)([N-]Cc1ccncc1Cl)c1cc(Br)ccc1Cl ZINC001189772441 916907075 /nfs/dbraw/zinc/90/70/75/916907075.db2.gz VKOLLRVKROZQJY-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(N[C@H]1CCOc2c(F)cc(F)cc21)c1cccc(OC(F)(F)F)c1[O-] ZINC001189774958 916910427 /nfs/dbraw/zinc/91/04/27/916910427.db2.gz LAJADFNZOLCHES-LBPRGKRZSA-N -1 3 389.276 3.823 20 0 GHADHM O=S(=O)(CCCF)[N-]c1cc(C(F)(F)F)c(Br)cc1F ZINC001189908664 916984494 /nfs/dbraw/zinc/98/44/94/916984494.db2.gz LZAAKZIPAQVFCQ-UHFFFAOYSA-N -1 3 382.148 3.708 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000650505424 917040612 /nfs/dbraw/zinc/04/06/12/917040612.db2.gz CSKMXSRTDDVYJV-GHTZIAJQSA-N -1 3 376.472 3.502 20 0 GHADHM COc1nc(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(F)cc2)ccc1F ZINC001190111218 917132959 /nfs/dbraw/zinc/13/29/59/917132959.db2.gz HONLOELXCYPODK-UHFFFAOYSA-N -1 3 390.411 3.514 20 0 GHADHM CCN(CC(=O)[N-]OCc1ccccc1)Cc1cccc(Br)c1 ZINC001190582167 917429038 /nfs/dbraw/zinc/42/90/38/917429038.db2.gz QZTMEZMFGVNRBP-UHFFFAOYSA-N -1 3 377.282 3.519 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1Cl ZINC001190583209 917429261 /nfs/dbraw/zinc/42/92/61/917429261.db2.gz WLESWXDOYFFHAD-UHFFFAOYSA-N -1 3 390.244 3.595 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(-n4cccn4)cc3)c2)n1 ZINC000363006642 917608636 /nfs/dbraw/zinc/60/86/36/917608636.db2.gz PBUWSMQNNMHCGR-UHFFFAOYSA-N -1 3 399.454 3.779 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccccc1F ZINC000651793915 917711492 /nfs/dbraw/zinc/71/14/92/917711492.db2.gz RYAZKWJEAYYHBZ-ISVAXAHUSA-N -1 3 398.308 3.736 20 0 GHADHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(O)ccc1Cl ZINC001191114529 917765572 /nfs/dbraw/zinc/76/55/72/917765572.db2.gz GLBBCOJOFIUSPA-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1cccc(Oc2ccccc2)n1 ZINC001191130764 917802116 /nfs/dbraw/zinc/80/21/16/917802116.db2.gz ZOXHCLOEHFVTSI-UHFFFAOYSA-N -1 3 377.223 3.740 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](C)c3ccc(Br)cn3)cc(=O)oc12 ZINC000796497508 917842641 /nfs/dbraw/zinc/84/26/41/917842641.db2.gz AGXJODOASTXQJT-LLVKDONJSA-N -1 3 389.249 3.815 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC001191281242 917893783 /nfs/dbraw/zinc/89/37/83/917893783.db2.gz YTMCTEFMWRDWHF-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCc1ccc(-c2noc(CN3CC[C@](C(=O)[O-])(c4ccccc4)C3)n2)cc1 ZINC000652501797 917914953 /nfs/dbraw/zinc/91/49/53/917914953.db2.gz QQUDWRMCMMNDKQ-JOCHJYFZSA-N -1 3 377.444 3.527 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[C@@H](C)C2)cc1Cl ZINC001191394200 917952946 /nfs/dbraw/zinc/95/29/46/917952946.db2.gz IUCKERINRSMWTK-MDZLAQPJSA-N -1 3 390.908 3.931 20 0 GHADHM O=C(c1ccc(Nc2cccc([O-])c2Br)cc1)N1CCC(=O)CC1 ZINC001191403664 917959178 /nfs/dbraw/zinc/95/91/78/917959178.db2.gz JZHFVDMSZMHWBY-UHFFFAOYSA-N -1 3 389.249 3.703 20 0 GHADHM CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1C ZINC001191451147 917983579 /nfs/dbraw/zinc/98/35/79/917983579.db2.gz CWFILTIBMVDVLH-UHFFFAOYSA-N -1 3 384.432 3.867 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC(F)(F)C1 ZINC000652745883 918000877 /nfs/dbraw/zinc/00/08/77/918000877.db2.gz NHPWEGNQKVEOGR-GOSISDBHSA-N -1 3 388.414 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(C(C)=O)cc3)c2)n1 ZINC000363282055 918028101 /nfs/dbraw/zinc/02/81/01/918028101.db2.gz GSZQMLRAHUXXHQ-UHFFFAOYSA-N -1 3 375.428 3.795 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000775469960 918106857 /nfs/dbraw/zinc/10/68/57/918106857.db2.gz VLCSZWSNBSWLOU-UHFFFAOYSA-N -1 3 397.357 3.577 20 0 GHADHM COc1ccc(C(C)C)cc1S(=O)(=O)[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001191708802 918131095 /nfs/dbraw/zinc/13/10/95/918131095.db2.gz AFPKXQBXIIIQJC-INIZCTEOSA-N -1 3 388.411 3.796 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CC=CC2)c(F)cc1F ZINC001191693051 918159175 /nfs/dbraw/zinc/15/91/75/918159175.db2.gz NISPELNILYWSES-LJQANCHMSA-N -1 3 393.455 3.622 20 0 GHADHM O=C([O-])[C@@]1(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC=CCC1 ZINC000653306194 918216985 /nfs/dbraw/zinc/21/69/85/918216985.db2.gz FWPUTPGIGGYIOW-DEOSSOPVSA-N -1 3 396.531 3.845 20 0 GHADHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000796604125 918786164 /nfs/dbraw/zinc/78/61/64/918786164.db2.gz CYLWXPGNHPAXOT-SPLOXXLWSA-N -1 3 392.459 3.710 20 0 GHADHM CCCN(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000296858969 918857269 /nfs/dbraw/zinc/85/72/69/918857269.db2.gz UQJZNJLXBSVTDG-UHFFFAOYSA-N -1 3 391.493 3.678 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364097947 919144553 /nfs/dbraw/zinc/14/45/53/919144553.db2.gz CUDPESQEQKXAPI-UHFFFAOYSA-N -1 3 397.862 3.508 20 0 GHADHM Cc1cccc(O[C@@H](C)C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)c1C ZINC000016070571 919391082 /nfs/dbraw/zinc/39/10/82/919391082.db2.gz ZQWNOPBHMAXWQE-LBPRGKRZSA-N -1 3 381.259 3.839 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)c(=O)[n-]1 ZINC000297747767 919719765 /nfs/dbraw/zinc/71/97/65/919719765.db2.gz LBFQFHSXVXDIHW-UHFFFAOYSA-N -1 3 389.761 3.922 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nnc(-c2ccccc2F)s1 ZINC000800262231 919799060 /nfs/dbraw/zinc/79/90/60/919799060.db2.gz GISVJJBRZCHRNM-MRVPVSSYSA-N -1 3 387.371 3.673 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nnc(-c2ccccc2F)s1 ZINC000800262231 919799064 /nfs/dbraw/zinc/79/90/64/919799064.db2.gz GISVJJBRZCHRNM-MRVPVSSYSA-N -1 3 387.371 3.673 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nnc(-c2ccccc2F)s1 ZINC000800262231 919799072 /nfs/dbraw/zinc/79/90/72/919799072.db2.gz GISVJJBRZCHRNM-MRVPVSSYSA-N -1 3 387.371 3.673 20 0 GHADHM O=C([O-])[C@@H](CNCc1cnn(Cc2ccccc2)c1Cl)CC1CCCC1 ZINC000900083497 919821515 /nfs/dbraw/zinc/82/15/15/919821515.db2.gz HOVIJRIXZUJNNS-QGZVFWFLSA-N -1 3 375.900 3.956 20 0 GHADHM CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900130771 919893638 /nfs/dbraw/zinc/89/36/38/919893638.db2.gz SRUXKHUNIXFFFN-UHFFFAOYSA-N -1 3 394.244 3.624 20 0 GHADHM COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)N2CCCC2)cc1 ZINC000298090054 920196542 /nfs/dbraw/zinc/19/65/42/920196542.db2.gz PEYPVOGODGRHDQ-NRFANRHFSA-N -1 3 391.471 3.516 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000800928474 920612912 /nfs/dbraw/zinc/61/29/12/920612912.db2.gz VKQVFNLHGFHJEN-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000801276056 920895328 /nfs/dbraw/zinc/89/53/28/920895328.db2.gz AXUQYGSKRZIURX-LBPRGKRZSA-N -1 3 377.799 3.504 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000801315012 920923711 /nfs/dbraw/zinc/92/37/11/920923711.db2.gz QPXRGUDNPYUREN-KRWDZBQOSA-N -1 3 385.435 3.560 20 0 GHADHM Cc1ccc(C2=NO[C@H](CNC(=O)CCCc3ccc([O-])c(F)c3)C2)cc1C ZINC000801401726 921003084 /nfs/dbraw/zinc/00/30/84/921003084.db2.gz SJCBDARFDFCMEB-SFHVURJKSA-N -1 3 384.451 3.780 20 0 GHADHM Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(CC(=O)[O-])CC1 ZINC000901418370 921089658 /nfs/dbraw/zinc/08/96/58/921089658.db2.gz BZTPMNWXCIXAKB-UHFFFAOYSA-N -1 3 392.297 3.630 20 0 GHADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cc(OC(F)F)ccc1Br ZINC000902019317 921819115 /nfs/dbraw/zinc/81/91/15/921819115.db2.gz GTJANJFNEBSXBG-ZDUSSCGKSA-N -1 3 380.229 3.982 20 0 GHADHM O=C([O-])CC1CCC(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000902137136 921905737 /nfs/dbraw/zinc/90/57/37/921905737.db2.gz BJBYWTANTMAVGT-UHFFFAOYSA-N -1 3 390.793 3.525 20 0 GHADHM C[C@H](Oc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1)C(=O)[O-] ZINC000902378411 922139594 /nfs/dbraw/zinc/13/95/94/922139594.db2.gz NLZKRFVENVMYSJ-AVRDEDQJSA-N -1 3 383.488 3.762 20 0 GHADHM CCc1oc(CN[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cc1C(=O)[O-] ZINC000902495232 922240245 /nfs/dbraw/zinc/24/02/45/922240245.db2.gz YQRBTUZXAVECHW-IAOVAPTHSA-N -1 3 376.250 3.731 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cccnc1C(F)(F)F ZINC000367744600 922291530 /nfs/dbraw/zinc/29/15/30/922291530.db2.gz CYKHMXPLPPLEMW-MRXNPFEDSA-N -1 3 393.390 3.563 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000803104949 922703185 /nfs/dbraw/zinc/70/31/85/922703185.db2.gz DDGLWAKQKRANJA-SFHVURJKSA-N -1 3 378.394 3.531 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C=O)cc3)c2)n1 ZINC000368497140 922713208 /nfs/dbraw/zinc/71/32/08/922713208.db2.gz VYVSGQKLDYSFNM-AWEZNQCLSA-N -1 3 391.427 3.630 20 0 GHADHM O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1cc([O-])ccc1Cl ZINC000368904075 922963861 /nfs/dbraw/zinc/96/38/61/922963861.db2.gz IEMVZUVUNCVIPL-UHFFFAOYSA-N -1 3 393.830 3.896 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Br)N1CCC[C@H](Cc2nccs2)C1 ZINC000903631595 923140448 /nfs/dbraw/zinc/14/04/48/923140448.db2.gz OXPFBOKLPDATML-WBMJQRKESA-N -1 3 395.322 3.986 20 0 GHADHM O=C([O-])[C@@H]1CCN(CCOc2ccc(Cl)cc2Cl)[C@H]([C@H]2CCCO2)C1 ZINC000903943226 923419650 /nfs/dbraw/zinc/41/96/50/923419650.db2.gz GXDMWCTUZWKDOZ-ISTRZQFTSA-N -1 3 388.291 3.716 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cncc(OCc3ccccc3)c2)[C@H]([C@H]2CCCO2)C1 ZINC000903943123 923420090 /nfs/dbraw/zinc/42/00/90/923420090.db2.gz ZPZUEZYNSRGRCE-BAGYTPMASA-N -1 3 396.487 3.505 20 0 GHADHM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748473722 923660610 /nfs/dbraw/zinc/66/06/10/923660610.db2.gz CAUMDHRMMNDBDP-UHFFFAOYSA-N -1 3 392.235 3.715 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)OC)c2)c(C)c1 ZINC000749155568 924052889 /nfs/dbraw/zinc/05/28/89/924052889.db2.gz WBEOCQIPHVNKEP-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000677123507 924247192 /nfs/dbraw/zinc/24/71/92/924247192.db2.gz CXUKIFQAYNWZAF-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000677258031 924305078 /nfs/dbraw/zinc/30/50/78/924305078.db2.gz DXRCNMGMUWNKGI-SNVBAGLBSA-N -1 3 399.235 3.863 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1 ZINC000679925250 925309042 /nfs/dbraw/zinc/30/90/42/925309042.db2.gz GZZOQVUBFACXSL-UHFFFAOYSA-N -1 3 397.880 3.762 20 0 GHADHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000410145032 925348846 /nfs/dbraw/zinc/34/88/46/925348846.db2.gz JHFZEIZJIHJWGP-HNNXBMFYSA-N -1 3 377.510 3.915 20 0 GHADHM CC1([N-]S(=O)(=O)c2ccc(F)cc2Br)CCC(F)(F)CC1 ZINC000680094487 925360376 /nfs/dbraw/zinc/36/03/76/925360376.db2.gz IXGDOKFKVIXJMS-UHFFFAOYSA-N -1 3 386.233 3.835 20 0 GHADHM O=C([N-]c1c(F)cccc1Cl)c1cc(Cn2cc(Br)cn2)on1 ZINC000680322643 925442308 /nfs/dbraw/zinc/44/23/08/925442308.db2.gz IVFHBOYCWIGHDE-UHFFFAOYSA-N -1 3 399.607 3.727 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])c2)o1 ZINC000372604543 925572848 /nfs/dbraw/zinc/57/28/48/925572848.db2.gz NNGROPYFDRHESK-GOSISDBHSA-N -1 3 391.427 3.599 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410424143 925630759 /nfs/dbraw/zinc/63/07/59/925630759.db2.gz RAHUWDHSXKVCDT-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM CCOc1cccc(-c2cccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)n2)c1 ZINC000372844055 925740975 /nfs/dbraw/zinc/74/09/75/925740975.db2.gz YABWNAKGNOTLFA-UHFFFAOYSA-N -1 3 396.472 3.926 20 0 GHADHM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)on1 ZINC000681684064 925878499 /nfs/dbraw/zinc/87/84/99/925878499.db2.gz OHSYFPPEEBMFOO-UHFFFAOYSA-N -1 3 382.791 3.949 20 0 GHADHM O=C(NCc1nc(-c2ccccc2F)cs1)c1c[n-]c2ccccc2c1=O ZINC000373320546 926016942 /nfs/dbraw/zinc/01/69/42/926016942.db2.gz DNIDZGWBENVIEB-UHFFFAOYSA-N -1 3 379.416 3.721 20 0 GHADHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000726977744 926968334 /nfs/dbraw/zinc/96/83/34/926968334.db2.gz UGYSRGDHVFNZNX-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1cccc(Cl)c1Br ZINC000493952675 926986718 /nfs/dbraw/zinc/98/67/18/926986718.db2.gz MXDXITUWTHOEIN-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(=O)c1ccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1[O-] ZINC000412033470 927024716 /nfs/dbraw/zinc/02/47/16/927024716.db2.gz FKDLUQGQYFWKQG-UHFFFAOYSA-N -1 3 387.863 3.726 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1[O-] ZINC000412204203 927204205 /nfs/dbraw/zinc/20/42/05/927204205.db2.gz HSCSGVBFQROQEP-CQSZACIVSA-N -1 3 382.391 3.895 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1[O-] ZINC000412253504 927263662 /nfs/dbraw/zinc/26/36/62/927263662.db2.gz XNQZZDQIRJAOKH-GOSISDBHSA-N -1 3 393.361 3.827 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1CO[N-]C(=O)CCOc1ccccc1 ZINC000749790510 927271463 /nfs/dbraw/zinc/27/14/63/927271463.db2.gz IIEGWLQKSYMEFT-UHFFFAOYSA-N -1 3 385.851 3.851 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412317927 927328861 /nfs/dbraw/zinc/32/88/61/927328861.db2.gz PJNFJHSRHXNMAE-FOZNTRSISA-N -1 3 388.895 3.583 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000374858430 927610115 /nfs/dbraw/zinc/61/01/15/927610115.db2.gz QPLYEFYIJQPNCI-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(-c4ccccn4)no3)nc(=O)c2c1C ZINC000750951745 927947198 /nfs/dbraw/zinc/94/71/98/927947198.db2.gz FVSCLKDWVIAEPV-JTQLQIEISA-N -1 3 396.428 3.982 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C(C)C ZINC000751086659 928021630 /nfs/dbraw/zinc/02/16/30/928021630.db2.gz SGZGBAIAHRNWST-MRXNPFEDSA-N -1 3 396.896 3.506 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1F ZINC000751262646 928098662 /nfs/dbraw/zinc/09/86/62/928098662.db2.gz KQEPHTBYDGCKLB-GFCCVEGCSA-N -1 3 397.777 3.510 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000751426107 928186113 /nfs/dbraw/zinc/18/61/13/928186113.db2.gz CABRVAPPACMPPB-GFCCVEGCSA-N -1 3 380.680 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCc4cnn(C(C)C)c4C3)nc2)n1 ZINC000375451433 928318120 /nfs/dbraw/zinc/31/81/20/928318120.db2.gz SVMJJQWDUWHGQU-QGZVFWFLSA-N -1 3 378.480 3.553 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc2c1CCCC2)c1nc(Cc2ccccc2)no1 ZINC000751986036 928530838 /nfs/dbraw/zinc/53/08/38/928530838.db2.gz LSQSTMRCTSKQDL-HNNXBMFYSA-N -1 3 397.500 3.579 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)C[C@@H](O)c3cccs3)cc2)cc(=O)[n-]1 ZINC000752189264 928669808 /nfs/dbraw/zinc/66/98/08/928669808.db2.gz PEZKADMWRJGYBW-SJKOYZFVSA-N -1 3 398.488 3.853 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1 ZINC000467082245 928675978 /nfs/dbraw/zinc/67/59/78/928675978.db2.gz BVHVBCJPXAVIOB-UHFFFAOYSA-N -1 3 387.505 3.705 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC=C(F)C1 ZINC000544053651 928741361 /nfs/dbraw/zinc/74/13/61/928741361.db2.gz CUAXOEJZFSKOEI-UHFFFAOYSA-N -1 3 392.427 3.634 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc4ccccc4c3c2)ccc1F ZINC000752398139 928811874 /nfs/dbraw/zinc/81/18/74/928811874.db2.gz DFBYQOCZUIMHCC-UHFFFAOYSA-N -1 3 398.415 3.886 20 0 GHADHM CCCCc1oc2ccccc2c1C=CC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000752778547 929018551 /nfs/dbraw/zinc/01/85/51/929018551.db2.gz WGKLFWSFUWIDRA-KTKRTIGZSA-N -1 3 377.444 3.869 20 0 GHADHM CSCCCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000752861762 929058996 /nfs/dbraw/zinc/05/89/96/929058996.db2.gz DOUFPSMDLCRZLI-UHFFFAOYSA-N -1 3 397.338 3.944 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](CC)Cc1cccc(Br)c1 ZINC000544353759 929085542 /nfs/dbraw/zinc/08/55/42/929085542.db2.gz PZSVTXJZXILNPV-LBPRGKRZSA-N -1 3 394.269 3.556 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](CC)Cc1cccc(Br)c1 ZINC000544353759 929085563 /nfs/dbraw/zinc/08/55/63/929085563.db2.gz PZSVTXJZXILNPV-LBPRGKRZSA-N -1 3 394.269 3.556 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc([C@H](O)c3ccccn3)ccc2C)c(C)c1 ZINC000753020079 929161684 /nfs/dbraw/zinc/16/16/84/929161684.db2.gz VQDSIRXKLLWKDY-NRFANRHFSA-N -1 3 398.484 3.590 20 0 GHADHM O=C(CCCc1nc2ccccc2[nH]1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467716529 929332815 /nfs/dbraw/zinc/33/28/15/929332815.db2.gz SDBRRIGVQNDGOT-UHFFFAOYSA-N -1 3 381.386 3.615 20 0 GHADHM CCO[C@@H](C)c1nc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cs1 ZINC000467718323 929335575 /nfs/dbraw/zinc/33/55/75/929335575.db2.gz OAVQUIUCOHQWRU-JTQLQIEISA-N -1 3 392.431 3.512 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000467925467 929598747 /nfs/dbraw/zinc/59/87/47/929598747.db2.gz AYAHBHSQOBMAES-NDEPHWFRSA-N -1 3 395.484 3.558 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000545909700 929665201 /nfs/dbraw/zinc/66/52/01/929665201.db2.gz LDKSWGGZOQEPFO-CABCVRRESA-N -1 3 398.937 3.699 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1C ZINC000545927657 929685052 /nfs/dbraw/zinc/68/50/52/929685052.db2.gz UXAZIKVUWAHATF-UHFFFAOYSA-N -1 3 396.877 3.846 20 0 GHADHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469351803 929812976 /nfs/dbraw/zinc/81/29/76/929812976.db2.gz KNXYVEGHHGELKQ-UHFFFAOYSA-N -1 3 393.480 3.816 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1Oc1ccccc1 ZINC000469640753 930050272 /nfs/dbraw/zinc/05/02/72/930050272.db2.gz VBVNKUCVFGBORJ-SYYKKAFVSA-N -1 3 387.451 3.595 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000469722071 930109740 /nfs/dbraw/zinc/10/97/40/930109740.db2.gz VRFNMFCETUADEF-NXEZZACHSA-N -1 3 395.684 3.816 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469800044 930168343 /nfs/dbraw/zinc/16/83/43/930168343.db2.gz QHIYQAWBODTSRH-LHSJRXKWSA-N -1 3 375.440 3.755 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccco2)n1 ZINC000469805671 930172903 /nfs/dbraw/zinc/17/29/03/930172903.db2.gz FEEJRNDZYTVLAU-CYBMUJFWSA-N -1 3 394.456 3.695 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c(=O)[n-]1 ZINC000469939077 930268309 /nfs/dbraw/zinc/26/83/09/930268309.db2.gz ODEBLRVWYJQJFN-SNVBAGLBSA-N -1 3 380.275 3.794 20 0 GHADHM CC(C)C[C@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)N[C@@H](C)c1ccccc1 ZINC000546764882 930414628 /nfs/dbraw/zinc/41/46/28/930414628.db2.gz VASWBMIDCJKQQK-SQWLQELKSA-N -1 3 380.476 3.622 20 0 GHADHM C[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(-n2cncn2)cc1 ZINC000780828089 930609799 /nfs/dbraw/zinc/60/97/99/930609799.db2.gz NKJNESSCJQBAMU-LBPRGKRZSA-N -1 3 396.834 3.584 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Br ZINC000470441598 930618691 /nfs/dbraw/zinc/61/86/91/930618691.db2.gz FBTHJXYIUWQALO-UHFFFAOYSA-N -1 3 386.267 3.657 20 0 GHADHM CC(C)COc1ccccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000547050588 930648757 /nfs/dbraw/zinc/64/87/57/930648757.db2.gz UGHIRXINRBRFPW-UHFFFAOYSA-N -1 3 387.461 3.810 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000470591353 930736706 /nfs/dbraw/zinc/73/67/06/930736706.db2.gz QPCUKEAHPNYLGK-UHFFFAOYSA-N -1 3 386.398 3.948 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470804642 930927689 /nfs/dbraw/zinc/92/76/89/930927689.db2.gz VALZYGSGTLCPNK-UHFFFAOYSA-N -1 3 386.455 3.767 20 0 GHADHM O=C(/C=C\c1ccc(Br)o1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782032942 931067457 /nfs/dbraw/zinc/06/74/57/931067457.db2.gz ABWBKJFYSZOFAM-VURMDHGXSA-N -1 3 391.177 3.554 20 0 GHADHM Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cccc3[n-]c(C(F)F)nc32)sc1C ZINC000924085096 931189539 /nfs/dbraw/zinc/18/95/39/931189539.db2.gz ZSOSAGVIGIEIQC-MRVPVSSYSA-N -1 3 394.403 3.758 20 0 GHADHM Nc1c(Cl)c(Cl)ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783042571 931392934 /nfs/dbraw/zinc/39/29/34/931392934.db2.gz QHNNAYFMEAGPLC-UHFFFAOYSA-N -1 3 380.187 3.688 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)s1 ZINC000783375535 931529017 /nfs/dbraw/zinc/52/90/17/931529017.db2.gz UQJJPAVJPQBQCW-UHFFFAOYSA-N -1 3 392.485 3.660 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ccn(-c2ccccc2F)n1 ZINC000783559241 931581758 /nfs/dbraw/zinc/58/17/58/931581758.db2.gz YYSOHXMZYXPGBL-UHFFFAOYSA-N -1 3 375.403 3.955 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ncsc1Br ZINC000557636695 931588174 /nfs/dbraw/zinc/58/81/74/931588174.db2.gz YEDFNAAVSTZTSU-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783662149 931611637 /nfs/dbraw/zinc/61/16/37/931611637.db2.gz XNCQOJQAZIRPMM-SNVBAGLBSA-N -1 3 392.770 3.745 20 0 GHADHM Cc1nc(-c2ccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)s2)cs1 ZINC000783678923 931615272 /nfs/dbraw/zinc/61/52/72/931615272.db2.gz MGCKQHSHPXTDEN-DHDCSXOGSA-N -1 3 381.482 3.581 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cc2C1 ZINC000783859231 931695341 /nfs/dbraw/zinc/69/53/41/931695341.db2.gz KPCTVKDUPNHZGW-MEDUHNTESA-N -1 3 393.892 3.578 20 0 GHADHM Cn1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1-c1ccccc1 ZINC000783888244 931705281 /nfs/dbraw/zinc/70/52/81/931705281.db2.gz KFJDNMZAQCZGPK-UHFFFAOYSA-N -1 3 375.384 3.805 20 0 GHADHM O=S(=O)([N-]Cc1noc(-c2cccs2)n1)c1cc(Cl)ccc1Cl ZINC000557876777 931733864 /nfs/dbraw/zinc/73/38/64/931733864.db2.gz ICALXVKTASMZQC-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)c2c1 ZINC000784585091 931948675 /nfs/dbraw/zinc/94/86/75/931948675.db2.gz JOHJRJVBLOSQMW-UHFFFAOYSA-N -1 3 395.346 3.501 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1c(Cl)nccc1C(F)(F)F ZINC000784810316 932007526 /nfs/dbraw/zinc/00/75/26/932007526.db2.gz VFKUFBLMYUOQLK-UHFFFAOYSA-N -1 3 399.712 3.866 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnn(CCC(F)(F)F)c3)c2)n1 ZINC000784882397 932017941 /nfs/dbraw/zinc/01/79/41/932017941.db2.gz BJDKDQPRAPGNCX-UHFFFAOYSA-N -1 3 392.337 3.526 20 0 GHADHM Cc1ccc(NC(=O)C[C@@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000558476605 932024419 /nfs/dbraw/zinc/02/44/19/932024419.db2.gz YLOKWLKMVZCPPM-KBPBESRZSA-N -1 3 376.453 3.920 20 0 GHADHM Cc1ccc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000558571955 932080326 /nfs/dbraw/zinc/08/03/26/932080326.db2.gz WPXYXSDLNJRXQG-QVKFZJNVSA-N -1 3 397.496 3.758 20 0 GHADHM COc1cccc(C2(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)CC2)c1 ZINC000797067912 932168628 /nfs/dbraw/zinc/16/86/28/932168628.db2.gz BEVFFKWLQWMARM-UHFFFAOYSA-N -1 3 376.412 3.803 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000797783920 932407079 /nfs/dbraw/zinc/40/70/79/932407079.db2.gz NXXCHCWWOMLDDJ-UHFFFAOYSA-N -1 3 382.460 3.503 20 0 GHADHM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000626317055 932547642 /nfs/dbraw/zinc/54/76/42/932547642.db2.gz FZYDCFGPHINVGH-VOKGJARPSA-N -1 3 395.525 3.667 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)[n-]1 ZINC000559349956 932618374 /nfs/dbraw/zinc/61/83/74/932618374.db2.gz VYUXHLJQZQYQHS-UHFFFAOYSA-N -1 3 377.400 3.614 20 0 GHADHM Cc1cn2ccnc(C(=O)[N-]c3nnc([C@@H]4CCCc5ccccc54)s3)c2n1 ZINC000559425125 932665890 /nfs/dbraw/zinc/66/58/90/932665890.db2.gz PIXUXBBYASYWAA-OAHLLOKOSA-N -1 3 390.472 3.610 20 0 GHADHM CCOc1c(Cl)cccc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798958274 932841017 /nfs/dbraw/zinc/84/10/17/932841017.db2.gz RTVBEZCOOPJSGQ-UHFFFAOYSA-N -1 3 378.822 3.629 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000799097409 932877859 /nfs/dbraw/zinc/87/78/59/932877859.db2.gz NVQRRAGCYPARMM-UHFFFAOYSA-N -1 3 396.443 3.670 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c([O-])c1 ZINC000559933594 932968377 /nfs/dbraw/zinc/96/83/77/932968377.db2.gz BXTITMYOCKOAKJ-LBPRGKRZSA-N -1 3 399.472 3.878 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)cc1C ZINC000559978104 932992633 /nfs/dbraw/zinc/99/26/33/932992633.db2.gz KACOZQJOBOOZPP-UHFFFAOYSA-N -1 3 394.449 3.721 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001116028588 933292426 /nfs/dbraw/zinc/29/24/26/933292426.db2.gz QFXSHTPGYYGVRX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001116028588 933292436 /nfs/dbraw/zinc/29/24/36/933292436.db2.gz QFXSHTPGYYGVRX-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1[O-] ZINC000560552113 933335863 /nfs/dbraw/zinc/33/58/63/933335863.db2.gz HKFUPFSFCFFJKD-UHFFFAOYSA-N -1 3 394.427 3.960 20 0 GHADHM O=S(=O)([N-]CCc1coc(-c2ccccc2)n1)c1cnc(Cl)c(Cl)c1 ZINC001116106386 933337158 /nfs/dbraw/zinc/33/71/58/933337158.db2.gz FIYAIPHQXBSIJG-UHFFFAOYSA-N -1 3 398.271 3.564 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC(C)(C)C3(C)C)nc(=O)c2c1C ZINC001116338829 933491454 /nfs/dbraw/zinc/49/14/54/933491454.db2.gz JAJVUNUMVYZSPV-LLVKDONJSA-N -1 3 377.510 3.651 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1F ZINC001116847763 933792110 /nfs/dbraw/zinc/79/21/10/933792110.db2.gz PUHQYLOSXLRVOD-UHFFFAOYSA-N -1 3 383.420 3.544 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000561092565 933857333 /nfs/dbraw/zinc/85/73/33/933857333.db2.gz WURSPKOSHNOTCO-UHFFFAOYSA-N -1 3 382.445 3.752 20 0 GHADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC001117194554 933880258 /nfs/dbraw/zinc/88/02/58/933880258.db2.gz FXGHBHLXJZUDDJ-MRXNPFEDSA-N -1 3 389.502 3.509 20 0 GHADHM CC(C)Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC001117219856 933894200 /nfs/dbraw/zinc/89/42/00/933894200.db2.gz JJNCSFWIOPTIMY-UHFFFAOYSA-N -1 3 375.425 3.875 20 0 GHADHM Cn1nc(-c2ccccc2)c(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c1Cl ZINC001118579150 934203462 /nfs/dbraw/zinc/20/34/62/934203462.db2.gz XNANBCJKPMRIHD-GFCCVEGCSA-N -1 3 389.805 3.873 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)o1 ZINC001119251207 934319164 /nfs/dbraw/zinc/31/91/64/934319164.db2.gz SSRZIXKUVZOJPH-CYBMUJFWSA-N -1 3 377.853 3.731 20 0 GHADHM O=C([N-]OC1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000777964046 934410605 /nfs/dbraw/zinc/41/06/05/934410605.db2.gz GBHBQNUFYUYEDR-CQSZACIVSA-N -1 3 396.434 3.521 20 0 GHADHM Cc1nc2scc(-c3ccccc3)c2c(N2Cc3nc(C)[n-]c(=O)c3C2)n1 ZINC001120546402 934471453 /nfs/dbraw/zinc/47/14/53/934471453.db2.gz BGTYWMOYLSQIPN-UHFFFAOYSA-N -1 3 375.457 3.991 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000931318585 934501967 /nfs/dbraw/zinc/50/19/67/934501967.db2.gz NQXLFYRZHOUULK-QMMMGPOBSA-N -1 3 392.246 3.924 20 0 GHADHM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001121423041 934653663 /nfs/dbraw/zinc/65/36/63/934653663.db2.gz YODYHXVVNVJKFZ-INIZCTEOSA-N -1 3 396.882 3.850 20 0 GHADHM Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000562136991 934718867 /nfs/dbraw/zinc/71/88/67/934718867.db2.gz TYSHQTDYJYYDAN-UHFFFAOYSA-N -1 3 393.424 3.922 20 0 GHADHM COc1ccc(CCC2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)cc1 ZINC000562296212 934810112 /nfs/dbraw/zinc/81/01/12/934810112.db2.gz CFXYORILIDHGII-UHFFFAOYSA-N -1 3 378.476 3.642 20 0 GHADHM CC(C)c1cc([C@H]2CCCN(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)C2)n[nH]1 ZINC000932058942 934812675 /nfs/dbraw/zinc/81/26/75/934812675.db2.gz DPHQGMDAPYTCHU-HNNXBMFYSA-N -1 3 394.479 3.836 20 0 GHADHM CC(C)c1cc([C@@H]2CCCN(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)C2)n[nH]1 ZINC000932058945 934812684 /nfs/dbraw/zinc/81/26/84/934812684.db2.gz DPHQGMDAPYTCHU-OAHLLOKOSA-N -1 3 394.479 3.836 20 0 GHADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000778061118 934826521 /nfs/dbraw/zinc/82/65/21/934826521.db2.gz SBFKIRAEQBDZCH-SMDDNHRTSA-N -1 3 381.325 3.651 20 0 GHADHM COc1cccnc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000562379861 934842834 /nfs/dbraw/zinc/84/28/34/934842834.db2.gz WDQXLRNMNMEYDC-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2csc(C(F)(F)F)c2)c1 ZINC001123004276 935052996 /nfs/dbraw/zinc/05/29/96/935052996.db2.gz PGXUYGQKCZJUQH-XMMPIXPASA-N -1 3 378.393 3.627 20 0 GHADHM Cc1ccc(CCCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123267462 935135326 /nfs/dbraw/zinc/13/53/26/935135326.db2.gz HOFMVLQEQAOTTJ-XMMPIXPASA-N -1 3 394.515 3.553 20 0 GHADHM C/C(=C\c1ccc(C)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123378436 935174874 /nfs/dbraw/zinc/17/48/74/935174874.db2.gz GSIWEKVLOAXKIN-KOZCBZIKSA-N -1 3 392.499 3.634 20 0 GHADHM Cc1c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)nnn1C(C)C ZINC001124183621 935353984 /nfs/dbraw/zinc/35/39/84/935353984.db2.gz GERCYHNDBINKGH-UHFFFAOYSA-N -1 3 378.388 3.990 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829639747 935837876 /nfs/dbraw/zinc/83/78/76/935837876.db2.gz ILGJNNGDFVQYKB-HNNXBMFYSA-N -1 3 390.505 3.982 20 0 GHADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)c1C ZINC000829927571 935882726 /nfs/dbraw/zinc/88/27/26/935882726.db2.gz UHEYFEKGWHJRNM-CYBMUJFWSA-N -1 3 375.494 3.900 20 0 GHADHM CCCn1ncc([N-]S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)c1C1CC1 ZINC000830087171 935897388 /nfs/dbraw/zinc/89/73/88/935897388.db2.gz ABPQFEBSOQEYGD-UHFFFAOYSA-N -1 3 387.505 3.908 20 0 GHADHM Nc1ccc(Br)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001138017737 935930117 /nfs/dbraw/zinc/93/01/17/935930117.db2.gz VFDBXCDTDCDBNY-UHFFFAOYSA-N -1 3 386.043 3.752 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(OCc2ccccc2)ccn1 ZINC000830424789 935943223 /nfs/dbraw/zinc/94/32/23/935943223.db2.gz JGAGVJBCFGAGTB-INIZCTEOSA-N -1 3 382.445 3.616 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(C(F)(F)F)cnc1Cl ZINC000830424556 935943637 /nfs/dbraw/zinc/94/36/37/935943637.db2.gz FLLMYKHIHHMJRG-QMMMGPOBSA-N -1 3 378.763 3.709 20 0 GHADHM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])c(C)n2C)cc1Br ZINC000324221929 971098911 /nfs/dbraw/zinc/09/89/11/971098911.db2.gz ZAAZRHHHJKWQHS-SNVBAGLBSA-N -1 3 381.270 3.654 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Oc2ccccc2)ccn1 ZINC000823422356 946429131 /nfs/dbraw/zinc/42/91/31/946429131.db2.gz RLVSKQUCAALXTI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Oc2ccccc2)ccn1 ZINC000823422356 946429140 /nfs/dbraw/zinc/42/91/40/946429140.db2.gz RLVSKQUCAALXTI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC001573280136 946654264 /nfs/dbraw/zinc/65/42/64/946654264.db2.gz PKFSPVVYMYCNPT-HNNXBMFYSA-N -1 3 399.296 3.710 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC001573280136 946654274 /nfs/dbraw/zinc/65/42/74/946654274.db2.gz PKFSPVVYMYCNPT-HNNXBMFYSA-N -1 3 399.296 3.710 20 0 GHADHM CC(=O)c1ccc(Oc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1Cl ZINC001573556634 946928164 /nfs/dbraw/zinc/92/81/64/946928164.db2.gz UJZRGNLUGLVAPZ-UHFFFAOYSA-N -1 3 383.717 3.929 20 0 GHADHM C/C(=C(/F)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CC1 ZINC001573358978 947674651 /nfs/dbraw/zinc/67/46/51/947674651.db2.gz SQDMRKOKWQNGDP-BOPFTXTBSA-N -1 3 380.383 3.646 20 0 GHADHM Cc1cc(Oc2ccccc2)ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001542943752 948552183 /nfs/dbraw/zinc/55/21/83/948552183.db2.gz WBMIPXFIDHMJFZ-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM Cc1cc(Oc2ccccc2)ccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001542943752 948552189 /nfs/dbraw/zinc/55/21/89/948552189.db2.gz WBMIPXFIDHMJFZ-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM C[C@@H](Nc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001556581868 948555321 /nfs/dbraw/zinc/55/53/21/948555321.db2.gz AAQOLWUKHHXPAZ-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@@H](Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001556581868 948555325 /nfs/dbraw/zinc/55/53/25/948555325.db2.gz AAQOLWUKHHXPAZ-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM CC(C)[C@@H]1N(c2cc(Br)c(-c3nnn[n-]3)cc2F)CC12CCC2 ZINC001574098569 949160773 /nfs/dbraw/zinc/16/07/73/949160773.db2.gz DEJGQWZJPCKTMA-AWEZNQCLSA-N -1 3 380.265 3.783 20 0 GHADHM CC(C)[C@@H]1N(c2cc(Br)c(-c3nn[n-]n3)cc2F)CC12CCC2 ZINC001574098569 949160783 /nfs/dbraw/zinc/16/07/83/949160783.db2.gz DEJGQWZJPCKTMA-AWEZNQCLSA-N -1 3 380.265 3.783 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001574099170 949170825 /nfs/dbraw/zinc/17/08/25/949170825.db2.gz IQLKZCFSXXBDKE-UYAOXDASSA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001574099170 949170844 /nfs/dbraw/zinc/17/08/44/949170844.db2.gz IQLKZCFSXXBDKE-UYAOXDASSA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575254789 949216650 /nfs/dbraw/zinc/21/66/50/949216650.db2.gz XVWCAPYAQDUDGK-AOMKIAJQSA-N -1 3 377.492 3.949 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575254789 949216672 /nfs/dbraw/zinc/21/66/72/949216672.db2.gz XVWCAPYAQDUDGK-AOMKIAJQSA-N -1 3 377.492 3.949 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001574131645 949665198 /nfs/dbraw/zinc/66/51/98/949665198.db2.gz JAMYHMHTZOTXLD-UHFFFAOYSA-N -1 3 397.479 3.841 20 0 GHADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001576170187 949707859 /nfs/dbraw/zinc/70/78/59/949707859.db2.gz KZASZBCADXEKTG-NEPJUHHUSA-N -1 3 392.301 3.575 20 0 GHADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001576170187 949707874 /nfs/dbraw/zinc/70/78/74/949707874.db2.gz KZASZBCADXEKTG-NEPJUHHUSA-N -1 3 392.301 3.575 20 0 GHADHM C[C@]1(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCc2ccccc21 ZINC001575564616 949864035 /nfs/dbraw/zinc/86/40/35/949864035.db2.gz QRLCTOUUEZVBHM-OFNKIYASSA-N -1 3 387.487 3.655 20 0 GHADHM C[C@]1(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCc2ccccc21 ZINC001575564616 949864055 /nfs/dbraw/zinc/86/40/55/949864055.db2.gz QRLCTOUUEZVBHM-OFNKIYASSA-N -1 3 387.487 3.655 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001573828237 949929980 /nfs/dbraw/zinc/92/99/80/949929980.db2.gz PNSDIJNTLMCCSL-MSOLQXFVSA-N -1 3 382.512 3.887 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001573828237 949929999 /nfs/dbraw/zinc/92/99/99/949929999.db2.gz PNSDIJNTLMCCSL-MSOLQXFVSA-N -1 3 382.512 3.887 20 0 GHADHM C[C@H]1CCCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CCCC2)C1 ZINC001576180650 949966689 /nfs/dbraw/zinc/96/66/89/949966689.db2.gz PLMVFIFKVCPVSN-HNNXBMFYSA-N -1 3 392.511 3.552 20 0 GHADHM C[C@H]1CCCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CCCC2)C1 ZINC001576180650 949966710 /nfs/dbraw/zinc/96/67/10/949966710.db2.gz PLMVFIFKVCPVSN-HNNXBMFYSA-N -1 3 392.511 3.552 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573855159 950357250 /nfs/dbraw/zinc/35/72/50/950357250.db2.gz KAYODRNCWDFCGQ-DOTOQJQBSA-N -1 3 392.463 3.609 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573855159 950357263 /nfs/dbraw/zinc/35/72/63/950357263.db2.gz KAYODRNCWDFCGQ-DOTOQJQBSA-N -1 3 392.463 3.609 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CC(Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001573860610 950425388 /nfs/dbraw/zinc/42/53/88/950425388.db2.gz JPEWWOPEFYJZPU-UHFFFAOYSA-N -1 3 398.511 3.849 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CC(Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001573860610 950425401 /nfs/dbraw/zinc/42/54/01/950425401.db2.gz JPEWWOPEFYJZPU-UHFFFAOYSA-N -1 3 398.511 3.849 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@H]2C[C@@H]2C)C1 ZINC001574167640 950489404 /nfs/dbraw/zinc/48/94/04/950489404.db2.gz GTEKZDXASHQXEH-MPGHIAIKSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@H]2C[C@@H]2C)C1 ZINC001574167640 950489409 /nfs/dbraw/zinc/48/94/09/950489409.db2.gz GTEKZDXASHQXEH-MPGHIAIKSA-N -1 3 392.511 3.579 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC=CCC1 ZINC001575614496 950532196 /nfs/dbraw/zinc/53/21/96/950532196.db2.gz FPUNIGXJMCJWJZ-FQEVSTJZSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC=CCC1 ZINC001575614496 950532214 /nfs/dbraw/zinc/53/22/14/950532214.db2.gz FPUNIGXJMCJWJZ-FQEVSTJZSA-N -1 3 376.420 3.739 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)n1 ZINC001573876734 950679136 /nfs/dbraw/zinc/67/91/36/950679136.db2.gz UDZXUKFJVGIWTE-UHFFFAOYSA-N -1 3 392.463 3.638 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)n1 ZINC001573876734 950679151 /nfs/dbraw/zinc/67/91/51/950679151.db2.gz UDZXUKFJVGIWTE-UHFFFAOYSA-N -1 3 392.463 3.638 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC001576216587 950735679 /nfs/dbraw/zinc/73/56/79/950735679.db2.gz DSWLIGSWHAIOMZ-OXQOHEQNSA-N -1 3 389.503 3.797 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC001576216587 950735691 /nfs/dbraw/zinc/73/56/91/950735691.db2.gz DSWLIGSWHAIOMZ-OXQOHEQNSA-N -1 3 389.503 3.797 20 0 GHADHM CC(C)(C)[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)OCc1ccccc1 ZINC001573880228 950739535 /nfs/dbraw/zinc/73/95/35/950739535.db2.gz UQDSZTKWJBDYOW-QGZVFWFLSA-N -1 3 383.427 3.576 20 0 GHADHM CC(C)(C)[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)OCc1ccccc1 ZINC001573880228 950739554 /nfs/dbraw/zinc/73/95/54/950739554.db2.gz UQDSZTKWJBDYOW-QGZVFWFLSA-N -1 3 383.427 3.576 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)C=CCOc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217898 950772260 /nfs/dbraw/zinc/77/22/60/950772260.db2.gz OVGYPJZQSULHAN-LJLILKBBSA-N -1 3 395.488 3.627 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)/C=C/COc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217898 950772275 /nfs/dbraw/zinc/77/22/75/950772275.db2.gz OVGYPJZQSULHAN-LJLILKBBSA-N -1 3 395.488 3.627 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N2CCO[C@H](C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC001573885531 950835211 /nfs/dbraw/zinc/83/52/11/950835211.db2.gz YONOZRNZWJVCIS-LBPRGKRZSA-N -1 3 392.529 3.505 20 0 GHADHM CC(C)(C)c1csc(NC(=O)N2CCO[C@H](C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC001573885531 950835232 /nfs/dbraw/zinc/83/52/32/950835232.db2.gz YONOZRNZWJVCIS-LBPRGKRZSA-N -1 3 392.529 3.505 20 0 GHADHM CC1(C)C[C@H](CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638974 950854459 /nfs/dbraw/zinc/85/44/59/950854459.db2.gz KXJNKIOGESXPMF-ZIAGYGMSSA-N -1 3 383.418 3.653 20 0 GHADHM CC1(C)C[C@H](CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C(C)(C)O1 ZINC001575638974 950854479 /nfs/dbraw/zinc/85/44/79/950854479.db2.gz KXJNKIOGESXPMF-ZIAGYGMSSA-N -1 3 383.418 3.653 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC001573888434 950866418 /nfs/dbraw/zinc/86/64/18/950866418.db2.gz UKRNDCMNHTZUKJ-UHFFFAOYSA-N -1 3 394.479 3.570 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC001573888434 950866440 /nfs/dbraw/zinc/86/64/40/950866440.db2.gz UKRNDCMNHTZUKJ-UHFFFAOYSA-N -1 3 394.479 3.570 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001573888708 950876804 /nfs/dbraw/zinc/87/68/04/950876804.db2.gz ZBFSIQRCLXXRJI-JKSUJKDBSA-N -1 3 382.443 3.695 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001573888708 950876815 /nfs/dbraw/zinc/87/68/15/950876815.db2.gz ZBFSIQRCLXXRJI-JKSUJKDBSA-N -1 3 382.443 3.695 20 0 GHADHM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575186076 952438198 /nfs/dbraw/zinc/43/81/98/952438198.db2.gz YYCHACBEWUNZOV-LBPRGKRZSA-N -1 3 387.896 3.773 20 0 GHADHM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575186076 952438199 /nfs/dbraw/zinc/43/81/99/952438199.db2.gz YYCHACBEWUNZOV-LBPRGKRZSA-N -1 3 387.896 3.773 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001575189028 952453378 /nfs/dbraw/zinc/45/33/78/952453378.db2.gz MTQDFBYZISWRLW-CYBMUJFWSA-N -1 3 382.443 3.882 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001575189028 952453382 /nfs/dbraw/zinc/45/33/82/952453382.db2.gz MTQDFBYZISWRLW-CYBMUJFWSA-N -1 3 382.443 3.882 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001575189992 952459845 /nfs/dbraw/zinc/45/98/45/952459845.db2.gz QQZRFPYMFQFXQJ-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001575189992 952459848 /nfs/dbraw/zinc/45/98/48/952459848.db2.gz QQZRFPYMFQFXQJ-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001575191069 952466066 /nfs/dbraw/zinc/46/60/66/952466066.db2.gz WURBELZCFUSITO-CQSZACIVSA-N -1 3 379.439 3.770 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001575191069 952466070 /nfs/dbraw/zinc/46/60/70/952466070.db2.gz WURBELZCFUSITO-CQSZACIVSA-N -1 3 379.439 3.770 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279923 953483570 /nfs/dbraw/zinc/48/35/70/953483570.db2.gz QRJLWHUQLWUAPQ-UWVAXJGDSA-N -1 3 380.488 3.647 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001357165123 958188066 /nfs/dbraw/zinc/18/80/66/958188066.db2.gz CMSIVNCXYRQCNV-KNQAVFIVSA-N -1 3 387.524 3.500 20 0 GHADHM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000142751979 958980409 /nfs/dbraw/zinc/98/04/09/958980409.db2.gz OKUSCHJUIFMPEC-GOSISDBHSA-N -1 3 378.900 3.627 20 0 GHADHM CC(C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001588913019 962332579 /nfs/dbraw/zinc/33/25/79/962332579.db2.gz YJIVZPBSSQBLNH-QWUACUGRSA-N -1 3 382.460 3.503 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(CCOc2ccccc2Br)C1 ZINC000576590739 974817946 /nfs/dbraw/zinc/81/79/46/974817946.db2.gz CDKGASHOEQRUIC-LJQANCHMSA-N -1 3 390.277 3.556 20 0 GHADHM O=C(C=Cc1ccsc1C(F)(F)F)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625915874 1014372611 /nfs/dbraw/zinc/37/26/11/1014372611.db2.gz HICMJZCTDTZARK-SNAWJCMRSA-N -1 3 379.367 3.523 20 0 GHADHM O=C(C=Cc1ccsc1C(F)(F)F)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625915874 1014372621 /nfs/dbraw/zinc/37/26/21/1014372621.db2.gz HICMJZCTDTZARK-SNAWJCMRSA-N -1 3 379.367 3.523 20 0 GHADHM C[C@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])N(C)Cc1ccccc1 ZINC001592664465 979066071 /nfs/dbraw/zinc/06/60/71/979066071.db2.gz DCCOULFYBMTPTN-XLIONFOSSA-N -1 3 397.519 3.658 20 0 GHADHM C[C@](CNCc1nc(Cl)ccc1Br)(C(=O)[O-])c1ccccc1 ZINC001592713092 979211474 /nfs/dbraw/zinc/21/14/74/979211474.db2.gz YZEJBVZJBSWPEA-MRXNPFEDSA-N -1 3 383.673 3.630 20 0 GHADHM O=C([O-])C1([NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCCCC1 ZINC000842469808 979318297 /nfs/dbraw/zinc/31/82/97/979318297.db2.gz HYTNMRZCFRQTSX-UHFFFAOYSA-N -1 3 383.473 3.941 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)(NCc1ccncc1Br)C(=O)[O-] ZINC001592841011 979611567 /nfs/dbraw/zinc/61/15/67/979611567.db2.gz WITVVXNKWOCCNU-MRXNPFEDSA-N -1 3 383.673 3.673 20 0 GHADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c(Br)c1 ZINC000903941507 981061904 /nfs/dbraw/zinc/06/19/04/981061904.db2.gz PMFHQJJZIHDBGY-JQFCIGGWSA-N -1 3 382.298 3.602 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836446 982742052 /nfs/dbraw/zinc/74/20/52/982742052.db2.gz BEHJTUGONXPKOK-LZLYRXPVSA-N -1 3 380.916 3.730 20 0 GHADHM CCCN(C)[C@H](CNC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001595836835 982744706 /nfs/dbraw/zinc/74/47/06/982744706.db2.gz LIVKKZHWQYDOGD-LJQANCHMSA-N -1 3 388.895 3.780 20 0 GHADHM CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595009487 982934822 /nfs/dbraw/zinc/93/48/22/982934822.db2.gz HRISOGDVLDBRDT-DBVUQKKJSA-N -1 3 389.540 3.555 20 0 GHADHM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596150831 983511292 /nfs/dbraw/zinc/51/12/92/983511292.db2.gz QLVZNFXLWZAABQ-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1C ZINC001596691873 984807436 /nfs/dbraw/zinc/80/74/36/984807436.db2.gz OMJPBZDFWUMGIE-MRXNPFEDSA-N -1 3 398.381 3.743 20 0 GHADHM Cc1cscc1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000544826328 1015076480 /nfs/dbraw/zinc/07/64/80/1015076480.db2.gz SUGVSQREIYZPJQ-UHFFFAOYSA-N -1 3 387.486 3.961 20 0 GHADHM Cc1[nH]c(CNCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)cc1C(=O)[O-] ZINC001599963127 985835669 /nfs/dbraw/zinc/83/56/69/985835669.db2.gz IQLVYIVPPGTGIP-UHFFFAOYSA-N -1 3 396.397 3.904 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC001597021261 986409945 /nfs/dbraw/zinc/40/99/45/986409945.db2.gz JKKAUBVJCBERAD-BBRMVZONSA-N -1 3 389.452 3.627 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001597258799 987272721 /nfs/dbraw/zinc/27/27/21/987272721.db2.gz VMCMEKBFBCSZMH-DZGCQCFKSA-N -1 3 388.327 3.920 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC001589616372 987478835 /nfs/dbraw/zinc/47/88/35/987478835.db2.gz ZFZXJEFNEGXKMF-OALUTQOASA-N -1 3 384.520 3.911 20 0 GHADHM CCc1[nH]c(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC001597394827 987643903 /nfs/dbraw/zinc/64/39/03/987643903.db2.gz HLQWOFUJGLFNGJ-UHFFFAOYSA-N -1 3 387.480 3.590 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001597456884 987866415 /nfs/dbraw/zinc/86/64/15/987866415.db2.gz CWKSYQIUKFHBFC-HXUWFJFHSA-N -1 3 395.503 3.906 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001597457970 987878689 /nfs/dbraw/zinc/87/86/89/987878689.db2.gz QBUHLKFXYDQJDJ-LJQANCHMSA-N -1 3 381.476 3.652 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CN1CCC[C@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745388 988037931 /nfs/dbraw/zinc/03/79/31/988037931.db2.gz IBDBADYEKJZNPI-UTKZUKDTSA-N -1 3 378.488 3.606 20 0 GHADHM CCc1ccc(C(C)(C)NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC001597508147 988083530 /nfs/dbraw/zinc/08/35/30/988083530.db2.gz DFOBZDWIWQCKCV-UHFFFAOYSA-N -1 3 386.517 3.961 20 0 GHADHM CC(C)(C)OC(=O)[C@](C)(CNCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001589845266 988361098 /nfs/dbraw/zinc/36/10/98/988361098.db2.gz XADIWHCUPHEZQG-JOCHJYFZSA-N -1 3 387.451 3.913 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(CCc2cccc(Cl)c2)CC12CC(C(=O)[O-])C2 ZINC001589866703 988474498 /nfs/dbraw/zinc/47/44/98/988474498.db2.gz PIWSJFHPJYDIRQ-LBKMDBTOSA-N -1 3 393.911 3.637 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001597763581 989208754 /nfs/dbraw/zinc/20/87/54/989208754.db2.gz ZXXFBFZIXOZGGO-ZBFHGGJFSA-N -1 3 392.496 3.762 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001590224149 989596372 /nfs/dbraw/zinc/59/63/72/989596372.db2.gz QPDTYAMCJZEILW-UHFFFAOYSA-N -1 3 396.487 3.968 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H](NCc2oc(Br)cc2C(=O)[O-])C12CCC2 ZINC001590379380 989888528 /nfs/dbraw/zinc/88/85/28/989888528.db2.gz QCKLAGJYFLRPDK-STQMWFEESA-N -1 3 386.286 3.956 20 0 GHADHM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001590480593 990067218 /nfs/dbraw/zinc/06/72/18/990067218.db2.gz SPLPEHUXCIITNJ-LJQANCHMSA-N -1 3 381.476 3.925 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000545127620 1015563269 /nfs/dbraw/zinc/56/32/69/1015563269.db2.gz LJFCHZYGTLPNJU-SFHVURJKSA-N -1 3 399.472 3.585 20 0 GHADHM CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001598229643 990929144 /nfs/dbraw/zinc/92/91/44/990929144.db2.gz ROWMWOSQFWQUSH-UHFFFAOYSA-N -1 3 387.461 3.788 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc(OC)c1[O-] ZINC000545171294 1015611710 /nfs/dbraw/zinc/61/17/10/1015611710.db2.gz RWIRZWWQYADJDO-QGZVFWFLSA-N -1 3 395.459 3.664 20 0 GHADHM CC(C)[C@@H](CNC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001590983158 991158692 /nfs/dbraw/zinc/15/86/92/991158692.db2.gz ZQRARAAOZFHEGC-IFMALSPDSA-N -1 3 396.531 3.984 20 0 GHADHM CN(C[C@H](O)c1ccc(F)cc1Cl)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598437593 991850179 /nfs/dbraw/zinc/85/01/79/991850179.db2.gz VLUUEYXBLVUZIG-GOEBONIOSA-N -1 3 391.748 3.688 20 0 GHADHM COc1nsc(CNC[C@H](OCC2CC2)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC001599741901 991870731 /nfs/dbraw/zinc/87/07/31/991870731.db2.gz KFYDUGNDUDVQOV-AWEZNQCLSA-N -1 3 396.896 3.761 20 0 GHADHM CN(CCC1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1)C(=O)OC(C)(C)C ZINC001598472850 992054977 /nfs/dbraw/zinc/05/49/77/992054977.db2.gz WGOAFIFILWXWNM-BQYQJAHWSA-N -1 3 392.496 3.846 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598503065 992461415 /nfs/dbraw/zinc/46/14/15/992461415.db2.gz BAMKILUXKAXLCE-HXUWFJFHSA-N -1 3 384.451 3.651 20 0 GHADHM CN(Cc1ccccc1CC(=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001598529806 992765526 /nfs/dbraw/zinc/76/55/26/992765526.db2.gz YCNUGNKIVFPURF-MJGOQNOKSA-N -1 3 380.271 3.711 20 0 GHADHM CN(Cn1ncc2cc(C(=O)[O-])ccc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598541826 992910878 /nfs/dbraw/zinc/91/08/78/992910878.db2.gz SDAACKBBRFZABH-AZUAARDMSA-N -1 3 383.423 3.683 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC001593111277 993784147 /nfs/dbraw/zinc/78/41/47/993784147.db2.gz FAMKFPMCKHOBQJ-PXAZEXFGSA-N -1 3 375.856 3.851 20 0 GHADHM C[C@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001593113279 993790825 /nfs/dbraw/zinc/79/08/25/993790825.db2.gz TUJASKPDRLQOSE-APPDUMDISA-N -1 3 393.846 3.990 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC001599655343 994569406 /nfs/dbraw/zinc/56/94/06/994569406.db2.gz KCMFESXHJMCXOV-HSZRJFAPSA-N -1 3 395.455 3.898 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccc(C(=O)OC(C)C)cc2)c1 ZINC001599656334 994586858 /nfs/dbraw/zinc/58/68/58/994586858.db2.gz UPWBJGMLPATZCU-QFIPXVFZSA-N -1 3 385.460 3.740 20 0 GHADHM C[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001593295194 994689505 /nfs/dbraw/zinc/68/95/05/994689505.db2.gz BLCBFPJVVFANNJ-INIZCTEOSA-N -1 3 378.472 3.780 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC000545469954 1015907624 /nfs/dbraw/zinc/90/76/24/1015907624.db2.gz CQIGBJWVTATSTB-KRWDZBQOSA-N -1 3 383.391 3.572 20 0 GHADHM C[C@@H](Oc1ccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1)C(=O)[O-] ZINC001593615895 995840838 /nfs/dbraw/zinc/84/08/38/995840838.db2.gz SJGXTLXUJPWQJS-KUHUBIRLSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@H](Oc1ccccc1CNC[C@@H](c1ccccc1Cl)N(C)C)C(=O)[O-] ZINC001593646606 995987269 /nfs/dbraw/zinc/98/72/69/995987269.db2.gz SZJDVGJBNAUQRJ-KSSFIOAISA-N -1 3 376.884 3.584 20 0 GHADHM COc1ccc(C(C)(C)CN2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1OC ZINC001599504602 997189737 /nfs/dbraw/zinc/18/97/37/997189737.db2.gz RQCXYOFYEUSYRN-UHFFFAOYSA-N -1 3 387.451 3.877 20 0 GHADHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC001599405672 997293579 /nfs/dbraw/zinc/29/35/79/997293579.db2.gz FSWZEDXGADYMHA-QGZVFWFLSA-N -1 3 383.366 3.980 20 0 GHADHM COC(=O)c1cc(CN2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc(C(=O)[O-])c1 ZINC001598932437 997791461 /nfs/dbraw/zinc/79/14/61/997791461.db2.gz VHFKCGXEOJDAOM-OAQYLSRUSA-N -1 3 396.487 3.581 20 0 GHADHM C[C@@]1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC[C@@H]1C(=O)[O-] ZINC001594061103 997843984 /nfs/dbraw/zinc/84/39/84/997843984.db2.gz ZGXABHCXWQYXBK-BFUOFWGJSA-N -1 3 375.494 3.800 20 0 GHADHM C[C@]1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC[C@H]1C(=O)[O-] ZINC001594061104 997844090 /nfs/dbraw/zinc/84/40/90/997844090.db2.gz ZGXABHCXWQYXBK-DJJJIMSYSA-N -1 3 375.494 3.800 20 0 GHADHM COCCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001599235779 997942690 /nfs/dbraw/zinc/94/26/90/997942690.db2.gz PUAHTRNJLBLSRN-GDLCADMTSA-N -1 3 381.341 3.681 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(OC3CCCCC3)cc2)no1 ZINC000545654915 1016187703 /nfs/dbraw/zinc/18/77/03/1016187703.db2.gz ROQQSPKOTVAZLL-UHFFFAOYSA-N -1 3 393.509 3.668 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000468966923 1016284865 /nfs/dbraw/zinc/28/48/65/1016284865.db2.gz NIDMDVABGMVOGY-GOSISDBHSA-N -1 3 385.435 3.989 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c2ccccc12 ZINC000546877055 1016760564 /nfs/dbraw/zinc/76/05/64/1016760564.db2.gz JLTNJRGLWHWKRU-UHFFFAOYSA-N -1 3 386.395 3.562 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)c2c1 ZINC001154507364 1032150935 /nfs/dbraw/zinc/15/09/35/1032150935.db2.gz RXFBTKKBQDBHDL-HSZRJFAPSA-N -1 3 399.450 3.996 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3CCN(c4ccc5[nH]ccc5c4)CC3)c2c1 ZINC001154531528 1032167378 /nfs/dbraw/zinc/16/73/78/1032167378.db2.gz YXBLATIYNWTHTH-UHFFFAOYSA-N -1 3 386.455 3.693 20 0 GHADHM Cc1ccc(C(=O)[C@H](Oc2[n-]c(=O)nc3cnccc32)c2ccc(C)cc2)cc1 ZINC001226975148 1032219639 /nfs/dbraw/zinc/21/96/39/1032219639.db2.gz VOPXETHDPRXGOI-OAQYLSRUSA-N -1 3 385.423 3.938 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc2oc(-c3ccccc3)cc2[nH]1 ZINC001154684092 1032235580 /nfs/dbraw/zinc/23/55/80/1032235580.db2.gz WWMLHYSADJXADX-UHFFFAOYSA-N -1 3 384.399 3.538 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc2oc(-c3ccccc3)cc2[nH]1 ZINC001154684092 1032235596 /nfs/dbraw/zinc/23/55/96/1032235596.db2.gz WWMLHYSADJXADX-UHFFFAOYSA-N -1 3 384.399 3.538 20 0 GHADHM CCCc1cc(O[C@H](C(=O)OC)c2cccc(Br)c2)[n-]c(=S)n1 ZINC001227423357 1032416329 /nfs/dbraw/zinc/41/63/29/1032416329.db2.gz XAQJBEYKAGFOOQ-AWEZNQCLSA-N -1 3 397.294 3.773 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)/C=C\[C@]3(C)CC[C@@H](C)C3(C)C)C2)n1 ZINC001155148019 1032435775 /nfs/dbraw/zinc/43/57/75/1032435775.db2.gz GNJFQJLTJDKJFN-LISVWSMCSA-N -1 3 386.540 3.594 20 0 GHADHM CS(=O)(=O)C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccc1Cl ZINC001227583477 1032471811 /nfs/dbraw/zinc/47/18/11/1032471811.db2.gz LZZKBURXVMNIPG-GFCCVEGCSA-N -1 3 395.786 3.624 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584100 1032473044 /nfs/dbraw/zinc/47/30/44/1032473044.db2.gz QGMJFBYIWQOVNJ-JQWIXIFHSA-N -1 3 376.375 3.830 20 0 GHADHM C[C@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1c(F)cc(Br)cc1F ZINC001227615798 1032486838 /nfs/dbraw/zinc/48/68/38/1032486838.db2.gz GNXJGCVSUBDRKV-YFKPBYRVSA-N -1 3 387.209 3.822 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2cc(Br)c(F)cc2F)s1 ZINC000318793359 1032531754 /nfs/dbraw/zinc/53/17/54/1032531754.db2.gz SYENQIVCHAJWRA-UHFFFAOYSA-N -1 3 391.193 3.613 20 0 GHADHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1cc(-c2ccccc2)c2ccccc2n1 ZINC001155449453 1032546924 /nfs/dbraw/zinc/54/69/24/1032546924.db2.gz WTWYYQYXVFAQIJ-UHFFFAOYSA-N -1 3 387.424 3.588 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001155598274 1032593553 /nfs/dbraw/zinc/59/35/53/1032593553.db2.gz BYUMMFIBNNACSV-HZMBPMFUSA-N -1 3 378.188 3.959 20 0 GHADHM CCCn1ccnc1CCCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000559040916 1017345038 /nfs/dbraw/zinc/34/50/38/1017345038.db2.gz FUOKCMAAWYSKOM-UHFFFAOYSA-N -1 3 386.883 3.905 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cnn(-c4ccccc4)c3)cc2)cc(=O)[n-]1 ZINC000559155520 1017376430 /nfs/dbraw/zinc/37/64/30/1017376430.db2.gz WVQDEDMWLMECCP-UHFFFAOYSA-N -1 3 386.415 3.987 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000929939974 1017760380 /nfs/dbraw/zinc/76/03/80/1017760380.db2.gz ATKVAIKDHMICLQ-HNNXBMFYSA-N -1 3 382.489 3.780 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cccc21 ZINC000561695570 1017923881 /nfs/dbraw/zinc/92/38/81/1017923881.db2.gz QENNBHYOFJNGQV-INIZCTEOSA-N -1 3 382.432 3.810 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnn(C)c3-c3ccccc3)c[n-]c12 ZINC000561801357 1017948323 /nfs/dbraw/zinc/94/83/23/1017948323.db2.gz FFHSYVPWCVZHJD-UHFFFAOYSA-N -1 3 376.391 3.628 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1nnc(-c3ccc(Cl)c(Cl)c3)o1)C2 ZINC000931319246 1017957414 /nfs/dbraw/zinc/95/74/14/1017957414.db2.gz XIJZRQZEFYOESI-QMMMGPOBSA-N -1 3 392.246 3.924 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000931620824 1018013079 /nfs/dbraw/zinc/01/30/79/1018013079.db2.gz QFMHOLLBQODBQY-JKSUJKDBSA-N -1 3 387.505 3.976 20 0 GHADHM CC(C)(C)OC(=O)[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(F)cc1 ZINC000932457359 1018322481 /nfs/dbraw/zinc/32/24/81/1018322481.db2.gz GRJZAPFZJPYNNS-GOSISDBHSA-N -1 3 399.422 3.754 20 0 GHADHM O=c1nc2c(Br)cccc2c(OC(C(F)(F)F)C(F)(F)F)[n-]1 ZINC001228063262 1032760405 /nfs/dbraw/zinc/76/04/05/1032760405.db2.gz ZTTMJAVUQVRJOS-UHFFFAOYSA-N -1 3 391.065 3.970 20 0 GHADHM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562733435 1018583229 /nfs/dbraw/zinc/58/32/29/1018583229.db2.gz AKLXVEOMYYLDNL-TZMCWYRMSA-N -1 3 389.293 3.847 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000562884008 1018751325 /nfs/dbraw/zinc/75/13/25/1018751325.db2.gz BYJVXDVUEPPHIF-HZPDHXFCSA-N -1 3 394.397 3.645 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001228133433 1032801101 /nfs/dbraw/zinc/80/11/01/1032801101.db2.gz GEMPUEVWRBNFED-HNNXBMFYSA-N -1 3 393.480 3.562 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCn2c(=O)c(CC)c(C)nc21 ZINC001228135160 1032802880 /nfs/dbraw/zinc/80/28/80/1032802880.db2.gz XAWFMAZEMZGIDZ-LJQANCHMSA-N -1 3 384.476 3.889 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(C(=O)c3ccccc3)ccc2[O-])CC1=O ZINC001228153417 1032810831 /nfs/dbraw/zinc/81/08/31/1032810831.db2.gz DPGZGOMKJFKHDU-INIZCTEOSA-N -1 3 397.427 3.538 20 0 GHADHM O=C1CCCc2ccc(S(=O)(=O)[N-]c3c(F)cccc3N3CCCC3)cc21 ZINC000570492893 1019621987 /nfs/dbraw/zinc/62/19/87/1019621987.db2.gz FSFFZTVCAVWUSX-UHFFFAOYSA-N -1 3 388.464 3.746 20 0 GHADHM COC[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001156073270 1032863424 /nfs/dbraw/zinc/86/34/24/1032863424.db2.gz DQHVLDLJFKBNPK-MRXNPFEDSA-N -1 3 392.789 3.577 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC000579112646 1020387553 /nfs/dbraw/zinc/38/75/53/1020387553.db2.gz JLOIINUNRKYXRJ-GOSISDBHSA-N -1 3 398.400 3.691 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1nc(Br)ccc1Br ZINC000189764255 1020497857 /nfs/dbraw/zinc/49/78/57/1020497857.db2.gz OHICZHKMMHPKLC-UHFFFAOYSA-N -1 3 389.047 3.718 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@@H]3CCC[C@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000627776848 1020602640 /nfs/dbraw/zinc/60/26/40/1020602640.db2.gz HFFMSZCQRPRJFB-NVXWUHKLSA-N -1 3 386.492 3.832 20 0 GHADHM Cc1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)c(Cl)c1 ZINC000192322195 1020863380 /nfs/dbraw/zinc/86/33/80/1020863380.db2.gz NHNFIBRSXRAQJJ-UHFFFAOYSA-N -1 3 385.620 3.625 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001156279600 1032956071 /nfs/dbraw/zinc/95/60/71/1032956071.db2.gz VMIKSAYAYVDEGC-CQSZACIVSA-N -1 3 378.810 3.553 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001156285248 1032958594 /nfs/dbraw/zinc/95/85/94/1032958594.db2.gz GXLFIUSCFMHKMN-JTQLQIEISA-N -1 3 384.839 3.614 20 0 GHADHM CC(C)(COCc1ccccc1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000800289526 1021301710 /nfs/dbraw/zinc/30/17/10/1021301710.db2.gz PGMLDTWPMOELEF-UHFFFAOYSA-N -1 3 382.416 3.728 20 0 GHADHM C[C@@H](Oc1ccc(CNCc2cccc(COC3CCOCC3)c2)cc1)C(=O)[O-] ZINC000902239563 1021495750 /nfs/dbraw/zinc/49/57/50/1021495750.db2.gz ORSCASNZVFOEFZ-QGZVFWFLSA-N -1 3 399.487 3.524 20 0 GHADHM Cc1ccc(CC[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)nc1 ZINC000902942673 1021557760 /nfs/dbraw/zinc/55/77/60/1021557760.db2.gz IKZJRDFRNKZDIV-UHFFFAOYSA-N -1 3 393.743 3.908 20 0 GHADHM [O-]c1cccc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1Br ZINC001140550075 1021951538 /nfs/dbraw/zinc/95/15/38/1021951538.db2.gz PXEPEYOTLVQPEL-INIZCTEOSA-N -1 3 396.325 3.705 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140550007 1021951718 /nfs/dbraw/zinc/95/17/18/1021951718.db2.gz ARELWHPNZRSXNK-CYBMUJFWSA-N -1 3 385.302 3.596 20 0 GHADHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2cccc([O-])c2Br)C1 ZINC001140555606 1021959370 /nfs/dbraw/zinc/95/93/70/1021959370.db2.gz PIAJXMZODRZSFA-UHFFFAOYSA-N -1 3 385.302 3.501 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001228630842 1033021369 /nfs/dbraw/zinc/02/13/69/1033021369.db2.gz VPKIWKSMDIXBRP-ZFWWWQNUSA-N -1 3 393.411 3.533 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC001137418747 1022191638 /nfs/dbraw/zinc/19/16/38/1022191638.db2.gz NWJAIZLCTBBZGP-MGPLVRAMSA-N -1 3 387.785 3.818 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228697094 1033053239 /nfs/dbraw/zinc/05/32/39/1033053239.db2.gz HQLCZRWHFFGISA-QGZVFWFLSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228697094 1033053250 /nfs/dbraw/zinc/05/32/50/1033053250.db2.gz HQLCZRWHFFGISA-QGZVFWFLSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228697094 1033053257 /nfs/dbraw/zinc/05/32/57/1033053257.db2.gz HQLCZRWHFFGISA-QGZVFWFLSA-N -1 3 393.447 3.738 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCCCCCCC3)c2)n1 ZINC000835863745 1022423813 /nfs/dbraw/zinc/42/38/13/1022423813.db2.gz ASPBLYYTCQXISX-UHFFFAOYSA-N -1 3 396.491 3.533 20 0 GHADHM CC[C@](C)(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)OC ZINC000835957555 1022502471 /nfs/dbraw/zinc/50/24/71/1022502471.db2.gz OXTFWNRQCFBMCR-LJQANCHMSA-N -1 3 395.452 3.598 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](c1ccc(OC)cc1)C(C)C ZINC001228714857 1033059986 /nfs/dbraw/zinc/05/99/86/1033059986.db2.gz XBSIBGREXPSJJQ-KRWDZBQOSA-N -1 3 376.478 3.656 20 0 GHADHM COc1cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc(OC)c1[O-] ZINC000754272700 1022575373 /nfs/dbraw/zinc/57/53/73/1022575373.db2.gz UTRHJYKOHWXXHI-UHFFFAOYSA-N -1 3 394.807 3.581 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc(OC)c1[O-] ZINC000754277342 1022578631 /nfs/dbraw/zinc/57/86/31/1022578631.db2.gz SLTGJSJSZICZDC-GFCCVEGCSA-N -1 3 384.388 3.686 20 0 GHADHM O=C1N(c2cccnc2)CC[C@]12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)C2 ZINC001140830930 1022649194 /nfs/dbraw/zinc/64/91/94/1022649194.db2.gz IEWDMYYTPJFSFM-IBGZPJMESA-N -1 3 392.286 3.723 20 0 GHADHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC000754441005 1022708056 /nfs/dbraw/zinc/70/80/56/1022708056.db2.gz QLVXXMMDBOOZLP-UHFFFAOYSA-N -1 3 399.285 3.931 20 0 GHADHM O=C(c1ccsc1)N1CCC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140888345 1022803623 /nfs/dbraw/zinc/80/36/23/1022803623.db2.gz PPAIHBAQNQSOJG-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM CC(C)CN1c2ccccc2[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1=O ZINC001140890278 1022809212 /nfs/dbraw/zinc/80/92/12/1022809212.db2.gz AYTQYEFBLDCXIY-JOCHJYFZSA-N -1 3 386.442 3.817 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000836279995 1022817145 /nfs/dbraw/zinc/81/71/45/1022817145.db2.gz SPYMAVNSWFGOEV-UHFFFAOYSA-N -1 3 399.447 3.642 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000836279995 1022817159 /nfs/dbraw/zinc/81/71/59/1022817159.db2.gz SPYMAVNSWFGOEV-UHFFFAOYSA-N -1 3 399.447 3.642 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000836322144 1022869827 /nfs/dbraw/zinc/86/98/27/1022869827.db2.gz QAGJHQIAZDURBX-UHFFFAOYSA-N -1 3 395.506 3.998 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000836322144 1022869840 /nfs/dbraw/zinc/86/98/40/1022869840.db2.gz QAGJHQIAZDURBX-UHFFFAOYSA-N -1 3 395.506 3.998 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000836425077 1022962696 /nfs/dbraw/zinc/96/26/96/1022962696.db2.gz RWCAWTYWGXDHMO-UHFFFAOYSA-N -1 3 393.827 3.922 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000836425077 1022962698 /nfs/dbraw/zinc/96/26/98/1022962698.db2.gz RWCAWTYWGXDHMO-UHFFFAOYSA-N -1 3 393.827 3.922 20 0 GHADHM Cc1cc(NC(=O)[N-]O[C@@H](CO)C(C)C)nn1-c1ccc(Cl)cc1Cl ZINC000836492802 1023029567 /nfs/dbraw/zinc/02/95/67/1023029567.db2.gz IOUHPDJTZYLBDN-AWEZNQCLSA-N -1 3 387.267 3.558 20 0 GHADHM Cc1nc(NC([O-])=NO[C@H](CO)C(C)C)sc1Cc1cccc(Cl)c1 ZINC000836754872 1023341497 /nfs/dbraw/zinc/34/14/97/1023341497.db2.gz VDOXUMVNIJCPQR-CQSZACIVSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1nc(NC(=O)[N-]O[C@H](CO)C(C)C)sc1Cc1cccc(Cl)c1 ZINC000836754872 1023341506 /nfs/dbraw/zinc/34/15/06/1023341506.db2.gz VDOXUMVNIJCPQR-CQSZACIVSA-N -1 3 383.901 3.766 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000756347946 1023599798 /nfs/dbraw/zinc/59/97/98/1023599798.db2.gz KBTTXHGYVCVSIZ-MRXNPFEDSA-N -1 3 399.365 3.647 20 0 GHADHM O=C([N-][C@H]1CCOc2ccc(Br)cc21)C(F)(F)c1nccs1 ZINC000756474307 1023673299 /nfs/dbraw/zinc/67/32/99/1023673299.db2.gz WEXOASBLZFKQSE-JTQLQIEISA-N -1 3 389.221 3.637 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000837098574 1024022184 /nfs/dbraw/zinc/02/21/84/1024022184.db2.gz LJKUYAVCQJAAOI-UHFFFAOYSA-N -1 3 383.398 3.709 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000837120364 1024077794 /nfs/dbraw/zinc/07/77/94/1024077794.db2.gz FTKBTMCTWRZMTG-YOEHRIQHSA-N -1 3 384.476 3.969 20 0 GHADHM C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC1(Br)Br ZINC000830762057 1024136683 /nfs/dbraw/zinc/13/66/83/1024136683.db2.gz KBIFBEVEKFEENZ-JTQLQIEISA-N -1 3 383.467 3.880 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001228958200 1033199510 /nfs/dbraw/zinc/19/95/10/1033199510.db2.gz JYJSRSSAEKFCRH-LJQANCHMSA-N -1 3 383.488 3.998 20 0 GHADHM C[C@@H](c1ccccc1)N1CCN(Cc2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC001138194726 1024341041 /nfs/dbraw/zinc/34/10/41/1024341041.db2.gz ZTXRWVVBKMCIFK-SFHVURJKSA-N -1 3 377.488 3.605 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC3(COc4ccccc43)CC2)c2ccccc21 ZINC001138197348 1024346731 /nfs/dbraw/zinc/34/67/31/1024346731.db2.gz QPLRCYOMTAGXNL-UHFFFAOYSA-N -1 3 376.456 3.652 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cs2)cc1 ZINC000837393046 1024415379 /nfs/dbraw/zinc/41/53/79/1024415379.db2.gz SHNCMWVRKFOUBT-UHFFFAOYSA-N -1 3 381.457 3.777 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(SC)ccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000831224525 1024435300 /nfs/dbraw/zinc/43/53/00/1024435300.db2.gz KGNIPJVCWVGNSW-BBRMVZONSA-N -1 3 394.537 3.880 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC1(Br)Br ZINC000831249952 1024451443 /nfs/dbraw/zinc/45/14/43/1024451443.db2.gz KKKCLDFHZNHKNU-JTQLQIEISA-N -1 3 383.467 3.880 20 0 GHADHM C[C@@H](c1ccc(COC(=O)CNC(=O)c2ccc([O-])cc2)cc1)C(F)(F)F ZINC000837494756 1024504515 /nfs/dbraw/zinc/50/45/15/1024504515.db2.gz HAWBQXFCQXYBAD-LBPRGKRZSA-N -1 3 381.350 3.531 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000831395888 1024539789 /nfs/dbraw/zinc/53/97/89/1024539789.db2.gz ZTLGZHYUIOTBAP-YCRPNKLZSA-N -1 3 384.407 3.519 20 0 GHADHM CO[C@H](Cc1ccccc1)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000837841920 1024746863 /nfs/dbraw/zinc/74/68/63/1024746863.db2.gz QOTQQDVHIABEKR-IUODEOHRSA-N -1 3 386.473 3.876 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC001141378406 1024779334 /nfs/dbraw/zinc/77/93/34/1024779334.db2.gz SWFJULCEYGUDAL-AUUYWEPGSA-N -1 3 384.451 3.576 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1(Cc2ccccc2)CCOCC1 ZINC000838187273 1024984495 /nfs/dbraw/zinc/98/44/95/1024984495.db2.gz MLEKCHCEERCAOX-UHFFFAOYSA-N -1 3 394.427 3.525 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000838557940 1025208733 /nfs/dbraw/zinc/20/87/33/1025208733.db2.gz ACYFDUYXEQDDTL-UONOGXRCSA-N -1 3 381.402 3.597 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)[C@@H]1Oc1ccccc1 ZINC001138692789 1025219012 /nfs/dbraw/zinc/21/90/12/1025219012.db2.gz MZLCXFGCUCSBGI-KURKYZTESA-N -1 3 397.368 3.798 20 0 GHADHM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([O-])c1Br ZINC000838861410 1025401148 /nfs/dbraw/zinc/40/11/48/1025401148.db2.gz GHZGEEWVTHOLCQ-CHWSQXEVSA-N -1 3 399.329 3.890 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229097786 1033276944 /nfs/dbraw/zinc/27/69/44/1033276944.db2.gz XHVBSEIAIWFEIJ-KRWDZBQOSA-N -1 3 394.265 3.849 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1cccc(N2CCOC2=O)c1 ZINC000838917553 1025442112 /nfs/dbraw/zinc/44/21/12/1025442112.db2.gz PSLYLNRKPLVVBR-GFCCVEGCSA-N -1 3 391.265 3.962 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC001138835757 1025448629 /nfs/dbraw/zinc/44/86/29/1025448629.db2.gz RSGDSCCZCGYRHE-HXUWFJFHSA-N -1 3 380.488 3.544 20 0 GHADHM C[C@@H](CN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(=O)OC(C)(C)C ZINC000839199165 1025717926 /nfs/dbraw/zinc/71/79/26/1025717926.db2.gz LLDNFRRHBDNAQO-NSHDSACASA-N -1 3 381.856 3.562 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094918 1025907182 /nfs/dbraw/zinc/90/71/82/1025907182.db2.gz KZMYMWLXXVFBNH-PMACEKPBSA-N -1 3 391.475 3.526 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3ccc(-c4cccc(F)c4)s3)c2c(=O)n1C ZINC001162767871 1025911508 /nfs/dbraw/zinc/91/15/08/1025911508.db2.gz FQEHHEJTIVDVEG-UHFFFAOYSA-N -1 3 382.420 3.690 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1c(C(F)F)nc2ccccn21 ZINC001141623237 1025932317 /nfs/dbraw/zinc/93/23/17/1025932317.db2.gz ZGZSIDTWVBLKIZ-UHFFFAOYSA-N -1 3 382.164 3.992 20 0 GHADHM COc1cccc(CN2CCC[C@]3(CCc4c3cccc4F)C2)c1OCC(=O)[O-] ZINC001139272519 1026119458 /nfs/dbraw/zinc/11/94/58/1026119458.db2.gz WWLNKADRBTXQTM-QHCPKHFHSA-N -1 3 399.462 3.778 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c2ccccc12 ZINC000839776763 1026259977 /nfs/dbraw/zinc/25/99/77/1026259977.db2.gz MNJZVEKTYOOZFC-AWEZNQCLSA-N -1 3 378.394 3.679 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccccc1Nc1nc2c(cccc2[O-])s1 ZINC001202963250 1026558719 /nfs/dbraw/zinc/55/87/19/1026558719.db2.gz BTCAQURFBIMWBG-UHFFFAOYSA-N -1 3 377.491 3.822 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC001165482290 1026743343 /nfs/dbraw/zinc/74/33/43/1026743343.db2.gz QCDOTQCTVOUVGO-UHFFFAOYSA-N -1 3 388.423 3.975 20 0 GHADHM O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc2sccc2c([O-])c1 ZINC001139961821 1026764740 /nfs/dbraw/zinc/76/47/40/1026764740.db2.gz SPUSPYKGSWLMTH-CYBMUJFWSA-N -1 3 397.374 3.969 20 0 GHADHM O=C(NCCc1ccoc1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001166892279 1027137786 /nfs/dbraw/zinc/13/77/86/1027137786.db2.gz OLZJEDAOUYPPSE-UHFFFAOYSA-N -1 3 395.640 3.510 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)[C@@H](C)c3ccccc3F)c2)n1 ZINC001141770666 1027192914 /nfs/dbraw/zinc/19/29/14/1027192914.db2.gz WUPWJCQLEHXFAD-RBZFPXEDSA-N -1 3 395.434 3.654 20 0 GHADHM CC(C)(C)OC(=O)N1CC(n2cc(Nc3nc4c(cccc4[O-])s3)cn2)C1 ZINC001209826126 1027224505 /nfs/dbraw/zinc/22/45/05/1027224505.db2.gz AXNRUCWLLYAUJQ-UHFFFAOYSA-N -1 3 387.465 3.734 20 0 GHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC001209869665 1027255609 /nfs/dbraw/zinc/25/56/09/1027255609.db2.gz KJBQRTHURNXQQA-MNOVXSKESA-N -1 3 379.931 3.744 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccccc1CCc1ccccc1 ZINC001141843835 1027416141 /nfs/dbraw/zinc/41/61/41/1027416141.db2.gz XUSMKHYRWXGNKC-UHFFFAOYSA-N -1 3 383.455 3.828 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccccc1CCc1ccccc1 ZINC001141843835 1027416156 /nfs/dbraw/zinc/41/61/56/1027416156.db2.gz XUSMKHYRWXGNKC-UHFFFAOYSA-N -1 3 383.455 3.828 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cnc(-c3ccccc3)s2)c(F)c1F ZINC001210433375 1027509302 /nfs/dbraw/zinc/50/93/02/1027509302.db2.gz ABSQURGPKGDIRL-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM Cc1ccc(Cc2cnc(NC(=O)c3cc4c(cc3[O-])OCO4)s2)cc1F ZINC001141873735 1027530289 /nfs/dbraw/zinc/53/02/89/1027530289.db2.gz IEUKCROAZADPBE-UHFFFAOYSA-N -1 3 386.404 3.868 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)c2ccccc21 ZINC001210805025 1027656096 /nfs/dbraw/zinc/65/60/96/1027656096.db2.gz ZSAUOXIVJHEBFF-MRXNPFEDSA-N -1 3 393.892 3.828 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1 ZINC001210909897 1027702253 /nfs/dbraw/zinc/70/22/53/1027702253.db2.gz JJMMJDBDTAOIIK-UHFFFAOYSA-N -1 3 381.723 3.746 20 0 GHADHM COc1ccc(Nc2cccc([S-])c2)cc1OCCCN1CCN(C)CC1 ZINC001210948252 1027715491 /nfs/dbraw/zinc/71/54/91/1027715491.db2.gz LXOKODUYSINPGZ-UHFFFAOYSA-N -1 3 387.549 3.744 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2(C)CCOCC2)c(Br)c1 ZINC001211034917 1027761796 /nfs/dbraw/zinc/76/17/96/1027761796.db2.gz FGMMUQPWVMJRNU-UHFFFAOYSA-N -1 3 396.734 3.506 20 0 GHADHM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc([O-])cc(Br)c1 ZINC001141980509 1027804728 /nfs/dbraw/zinc/80/47/28/1027804728.db2.gz VRSQLCUTPUNGFH-UHFFFAOYSA-N -1 3 393.212 3.673 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C[C@H]1OC ZINC001211178283 1027824322 /nfs/dbraw/zinc/82/43/22/1027824322.db2.gz CIMQXKOUGICXLP-VXGBXAGGSA-N -1 3 396.372 3.691 20 0 GHADHM COc1cnccc1Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001211264350 1027870761 /nfs/dbraw/zinc/87/07/61/1027870761.db2.gz DUUXYJKRUCHJBU-UHFFFAOYSA-N -1 3 380.288 3.876 20 0 GHADHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1(C)C ZINC001211444783 1027962817 /nfs/dbraw/zinc/96/28/17/1027962817.db2.gz WIWGRPVYJGFUHW-CHWSQXEVSA-N -1 3 399.406 3.595 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(Cl)c1 ZINC001142105476 1028115114 /nfs/dbraw/zinc/11/51/14/1028115114.db2.gz BJXFREAHZCLYGN-STQMWFEESA-N -1 3 376.177 3.926 20 0 GHADHM O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142111333 1028140667 /nfs/dbraw/zinc/14/06/67/1028140667.db2.gz IBJQZBLHNSPTFS-HNNXBMFYSA-N -1 3 383.319 3.970 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCCn3cnc(Cn4cccn4)c3C2)c(Cl)c1 ZINC001142111622 1028142734 /nfs/dbraw/zinc/14/27/34/1028142734.db2.gz SGGPQEWDEGSGCT-UHFFFAOYSA-N -1 3 392.290 3.546 20 0 GHADHM [O-]c1c(F)cc(Nc2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)cc1F ZINC001213371061 1028143131 /nfs/dbraw/zinc/14/31/31/1028143131.db2.gz VJICJDWNVRITFV-IBGZPJMESA-N -1 3 398.413 3.778 20 0 GHADHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001213381116 1028150473 /nfs/dbraw/zinc/15/04/73/1028150473.db2.gz XWISYYUTSMFSBA-UHFFFAOYSA-N -1 3 396.534 3.600 20 0 GHADHM COc1ccc(C(=O)C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)cc1 ZINC000175974290 1028218829 /nfs/dbraw/zinc/21/88/29/1028218829.db2.gz ZQQZSWZQJOIMTE-UHFFFAOYSA-N -1 3 388.326 3.773 20 0 GHADHM Clc1cc(-c2nc(-c3ccc(-n4cc(Br)cn4)cc3)no2)[n-]n1 ZINC001213500839 1028229569 /nfs/dbraw/zinc/22/95/69/1028229569.db2.gz SAAAOYOXXMOBQZ-UHFFFAOYSA-N -1 3 391.616 3.728 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)cc1 ZINC001142160115 1028268810 /nfs/dbraw/zinc/26/88/10/1028268810.db2.gz LJHMPSJWERZARL-HXUWFJFHSA-N -1 3 393.418 3.727 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(I)c(F)c3)no2)n1 ZINC001213698230 1028337194 /nfs/dbraw/zinc/33/71/94/1028337194.db2.gz QQWUZAODIMDNRB-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1cc(C(F)(F)F)ccc1F ZINC001213988753 1028497519 /nfs/dbraw/zinc/49/75/19/1028497519.db2.gz NOKLRMOPBKZHRA-ZDUSSCGKSA-N -1 3 393.789 3.944 20 0 GHADHM CCOc1ccc(Br)cc1-c1noc(-c2ccc(F)c(=O)[n-]2)n1 ZINC001214085731 1028541205 /nfs/dbraw/zinc/54/12/05/1028541205.db2.gz WNHRDWFUKZUPSK-UHFFFAOYSA-N -1 3 380.173 3.805 20 0 GHADHM CCOc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)cc1Br ZINC001214087581 1028542299 /nfs/dbraw/zinc/54/22/99/1028542299.db2.gz FURAFLUSEKALOR-UHFFFAOYSA-N -1 3 380.173 3.805 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000841561045 1028731750 /nfs/dbraw/zinc/73/17/50/1028731750.db2.gz PSMKYOAYMIYRRK-TZMCWYRMSA-N -1 3 388.320 3.650 20 0 GHADHM Cc1cccc(C[C@@H](CNCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])c1 ZINC000841793687 1028939016 /nfs/dbraw/zinc/93/90/16/1028939016.db2.gz OQIUJPVKNRRNAI-IBGZPJMESA-N -1 3 397.906 3.926 20 0 GHADHM Cc1cccc(COc2c(C)cc(CN[C@H](C(=O)[O-])c3cnn(C)c3)cc2C)c1 ZINC000841807731 1028954157 /nfs/dbraw/zinc/95/41/57/1028954157.db2.gz SUGHJILWWKPSMF-NRFANRHFSA-N -1 3 393.487 3.840 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)c(OC)c(Cl)c1)OCC ZINC001214966529 1028979827 /nfs/dbraw/zinc/97/98/27/1028979827.db2.gz OHOMQPQVYLXTCW-UHFFFAOYSA-N -1 3 385.823 3.669 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001142654008 1029212170 /nfs/dbraw/zinc/21/21/70/1029212170.db2.gz SXSMOGZQMZMCPR-YOEHRIQHSA-N -1 3 391.924 3.591 20 0 GHADHM CCOC(=O)c1nnsc1[N-]c1ccc(C(=O)N(C(C)C)C(C)C)cc1 ZINC001215658789 1029332183 /nfs/dbraw/zinc/33/21/83/1029332183.db2.gz XWUODAAMUDWEGE-UHFFFAOYSA-N -1 3 376.482 3.717 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(Br)c1 ZINC001216104016 1029525419 /nfs/dbraw/zinc/52/54/19/1029525419.db2.gz KJQSOVVCUGWDJP-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(Br)c1 ZINC001216104016 1029525427 /nfs/dbraw/zinc/52/54/27/1029525427.db2.gz KJQSOVVCUGWDJP-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)[n-]n1 ZINC001142900822 1029661140 /nfs/dbraw/zinc/66/11/40/1029661140.db2.gz PRZHYUSEBDEABB-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)n[n-]1 ZINC001142900822 1029661146 /nfs/dbraw/zinc/66/11/46/1029661146.db2.gz PRZHYUSEBDEABB-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncsc2Nc2ccccc2)[n-]n1 ZINC001142905886 1029667680 /nfs/dbraw/zinc/66/76/80/1029667680.db2.gz UACGYBBTOFPQRL-UHFFFAOYSA-N -1 3 385.449 3.817 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncsc2Nc2ccccc2)n[n-]1 ZINC001142905886 1029667687 /nfs/dbraw/zinc/66/76/87/1029667687.db2.gz UACGYBBTOFPQRL-UHFFFAOYSA-N -1 3 385.449 3.817 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC001143177139 1029885421 /nfs/dbraw/zinc/88/54/21/1029885421.db2.gz JUEWLLZPPWMFJU-UHFFFAOYSA-N -1 3 376.250 3.625 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2c([O-])cc(O)cc2O)n1 ZINC001216728686 1029907053 /nfs/dbraw/zinc/90/70/53/1029907053.db2.gz HENOFIIBOXVSDN-UHFFFAOYSA-N -1 3 377.194 3.845 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cc(F)c(Br)cc2F)no1 ZINC001216728778 1029907201 /nfs/dbraw/zinc/90/72/01/1029907201.db2.gz MIPZFIXTSMNVHI-UHFFFAOYSA-N -1 3 385.120 3.561 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cnc(C)cc3C(F)(F)F)no2)cc1OC ZINC001216744983 1029915905 /nfs/dbraw/zinc/91/59/05/1029915905.db2.gz OSKQELDACWOHLW-UHFFFAOYSA-N -1 3 381.310 3.849 20 0 GHADHM COc1c(-c2noc(-c3cccc(OCCO)c3[O-])n2)cccc1C(F)(F)F ZINC001216958982 1030030667 /nfs/dbraw/zinc/03/06/67/1030030667.db2.gz LNRWMNFMOKUHER-UHFFFAOYSA-N -1 3 396.321 3.508 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001216958075 1030031004 /nfs/dbraw/zinc/03/10/04/1030031004.db2.gz CMUGCIAZOMACOO-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)c(C(F)(F)F)c1 ZINC001216959463 1030032398 /nfs/dbraw/zinc/03/23/98/1030032398.db2.gz QQBOVJLNZXKYJC-UHFFFAOYSA-N -1 3 380.322 3.808 20 0 GHADHM Cc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc(C)c1F ZINC001217018898 1030095287 /nfs/dbraw/zinc/09/52/87/1030095287.db2.gz XSQKJPKZVMLSPI-UHFFFAOYSA-N -1 3 379.388 3.670 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)cc1F ZINC001217019050 1030096298 /nfs/dbraw/zinc/09/62/98/1030096298.db2.gz IFPLZJZJCBJMKJ-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC001149241532 1030102044 /nfs/dbraw/zinc/10/20/44/1030102044.db2.gz LOJBFZHWXVMDAH-BSNNYGBQSA-N -1 3 396.306 3.725 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2cccc(I)c2)no1 ZINC001217084961 1030150764 /nfs/dbraw/zinc/15/07/64/1030150764.db2.gz BGQBWZJGOMIUDK-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC001149871217 1030334448 /nfs/dbraw/zinc/33/44/48/1030334448.db2.gz AXQVXANCDOLEKM-UHFFFAOYSA-N -1 3 394.858 3.797 20 0 GHADHM CC(C)n1nnc([N-]C(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)n1 ZINC001150163005 1030433873 /nfs/dbraw/zinc/43/38/73/1030433873.db2.gz IYQUPDSSFBCDIT-UHFFFAOYSA-N -1 3 383.264 3.937 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1C ZINC001150208144 1030451331 /nfs/dbraw/zinc/45/13/31/1030451331.db2.gz WVXPIUMJQMGYMV-FMIVXFBMSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1C ZINC001150208144 1030451337 /nfs/dbraw/zinc/45/13/37/1030451337.db2.gz WVXPIUMJQMGYMV-FMIVXFBMSA-N -1 3 398.264 3.980 20 0 GHADHM CCN(CC)c1ccc2ccc(C(=O)Nc3cc(F)c([O-])cc3C(=O)OC)cn21 ZINC001150412551 1030521029 /nfs/dbraw/zinc/52/10/29/1030521029.db2.gz LIFSGBPAPMGLBE-UHFFFAOYSA-N -1 3 399.422 3.669 20 0 GHADHM O=C(NCc1ccc2c(c1)CCC2)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150465183 1030534320 /nfs/dbraw/zinc/53/43/20/1030534320.db2.gz KBEVSCOUKZHTSF-UHFFFAOYSA-N -1 3 386.373 3.966 20 0 GHADHM O=C(N[C@H]1COCc2ccccc21)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476051 1030540040 /nfs/dbraw/zinc/54/00/40/1030540040.db2.gz DHPQFYRXWPXRNM-KRWDZBQOSA-N -1 3 388.345 3.548 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H](C)c3ccncc3F)nc21 ZINC001223401562 1030554805 /nfs/dbraw/zinc/55/48/05/1030554805.db2.gz BLDYXVOQLKWKGC-VVVCHXIZSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H](C)c3ccncc3F)[n-]c21 ZINC001223401562 1030554809 /nfs/dbraw/zinc/55/48/09/1030554809.db2.gz BLDYXVOQLKWKGC-VVVCHXIZSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H](C)c3ncccc3F)nc21 ZINC001223405143 1030558885 /nfs/dbraw/zinc/55/88/85/1030558885.db2.gz YPRAIWRGCZHQGJ-VVVCHXIZSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H](C)c3ncccc3F)[n-]c21 ZINC001223405143 1030558893 /nfs/dbraw/zinc/55/88/93/1030558893.db2.gz YPRAIWRGCZHQGJ-VVVCHXIZSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001217637284 1030561712 /nfs/dbraw/zinc/56/17/12/1030561712.db2.gz YRUYADJHNQPIFR-UHFFFAOYSA-N -1 3 376.372 3.608 20 0 GHADHM O=C(N[C@H]1COc2ccccc2C1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001151011540 1030744338 /nfs/dbraw/zinc/74/43/38/1030744338.db2.gz JXJGEUUKIPHZIP-SFHVURJKSA-N -1 3 375.380 3.558 20 0 GHADHM CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001151708392 1030977774 /nfs/dbraw/zinc/97/77/74/1030977774.db2.gz AUZFVKDXFUHZPM-LJQANCHMSA-N -1 3 376.840 3.621 20 0 GHADHM O=S(=O)([N-]CC=C(Cl)Cl)c1ccc(Br)cc1Cl ZINC000407396023 1030999397 /nfs/dbraw/zinc/99/93/97/1030999397.db2.gz CRCNMTATIVTXSU-UHFFFAOYSA-N -1 3 379.490 3.700 20 0 GHADHM COc1nc(NC(=O)c2nc3cc(Br)ccc3[n-]2)cc2cccnc21 ZINC001151821333 1031017132 /nfs/dbraw/zinc/01/71/32/1031017132.db2.gz KOIYBTSKJSDUFY-UHFFFAOYSA-N -1 3 398.220 3.530 20 0 GHADHM COc1nc(NC(=O)c2nc3ccc(Br)cc3[n-]2)cc2cccnc21 ZINC001151821333 1031017146 /nfs/dbraw/zinc/01/71/46/1031017146.db2.gz KOIYBTSKJSDUFY-UHFFFAOYSA-N -1 3 398.220 3.530 20 0 GHADHM CC(=O)c1c(F)cccc1NC(=O)c1nc2cc(Br)ccc2[n-]1 ZINC001151826649 1031020745 /nfs/dbraw/zinc/02/07/45/1031020745.db2.gz KLMWQMGBIIFAQK-UHFFFAOYSA-N -1 3 376.185 3.919 20 0 GHADHM CC(=O)c1c(F)cccc1NC(=O)c1nc2ccc(Br)cc2[n-]1 ZINC001151826649 1031020762 /nfs/dbraw/zinc/02/07/62/1031020762.db2.gz KLMWQMGBIIFAQK-UHFFFAOYSA-N -1 3 376.185 3.919 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC001151926044 1031052300 /nfs/dbraw/zinc/05/23/00/1031052300.db2.gz LTKNSCGHMSDWII-SFHVURJKSA-N -1 3 378.394 3.918 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1 ZINC001461739032 1069715310 /nfs/dbraw/zinc/71/53/10/1069715310.db2.gz PKYKSILSSSCFJV-MDZDMXLPSA-N -1 3 392.444 3.697 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC001153019340 1031433014 /nfs/dbraw/zinc/43/30/14/1031433014.db2.gz DJSOGOCICFQCAH-UHFFFAOYSA-N -1 3 385.416 3.777 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)ncc2C(F)(F)F)CC1(C)C ZINC001225577297 1031487445 /nfs/dbraw/zinc/48/74/45/1031487445.db2.gz UUWLWNUSNVYUQL-SNVBAGLBSA-N -1 3 391.390 3.758 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)[n-]n1 ZINC001153264867 1031512467 /nfs/dbraw/zinc/51/24/67/1031512467.db2.gz WMDWFPBPXGAIFC-UHFFFAOYSA-N -1 3 378.162 3.624 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)n[n-]1 ZINC001153264867 1031512485 /nfs/dbraw/zinc/51/24/85/1031512485.db2.gz WMDWFPBPXGAIFC-UHFFFAOYSA-N -1 3 378.162 3.624 20 0 GHADHM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153460224 1031603288 /nfs/dbraw/zinc/60/32/88/1031603288.db2.gz DEFUYFUQULLXIS-QMTHXVAHSA-N -1 3 384.860 3.745 20 0 GHADHM O=C(c1cnc2cccnc2c1[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001153856012 1031772961 /nfs/dbraw/zinc/77/29/61/1031772961.db2.gz OSBANKXAGWCIEJ-ZDUSSCGKSA-N -1 3 387.361 3.572 20 0 GHADHM O=C(Nc1cccc2c1COC2)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877849 1031789064 /nfs/dbraw/zinc/78/90/64/1031789064.db2.gz IGTRJYIDXXJPRH-UHFFFAOYSA-N -1 3 385.217 3.573 20 0 GHADHM S=c1ncc(C2CC2)c(OC2CN(Cc3ccc(Br)cc3)C2)[n-]1 ZINC001226118760 1031797915 /nfs/dbraw/zinc/79/79/15/1031797915.db2.gz ISYOWGUQMFXVOZ-UHFFFAOYSA-N -1 3 392.322 3.668 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CC[C@@H]1COCc1ccccc1 ZINC001153904911 1031802936 /nfs/dbraw/zinc/80/29/36/1031802936.db2.gz ONPJPRHSUXWCND-MRXNPFEDSA-N -1 3 382.847 3.613 20 0 GHADHM COC(=O)c1ccc2nc(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)[n-]c2c1 ZINC001226257598 1031883421 /nfs/dbraw/zinc/88/34/21/1031883421.db2.gz FQPCHYVGXMLCLZ-ICDLMJIXSA-N -1 3 398.362 3.754 20 0 GHADHM COC(=O)c1ccc2[n-]c(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)nc2c1 ZINC001226257598 1031883452 /nfs/dbraw/zinc/88/34/52/1031883452.db2.gz FQPCHYVGXMLCLZ-ICDLMJIXSA-N -1 3 398.362 3.754 20 0 GHADHM CCCCn1ncc(C(=O)Nc2ccc(I)cc2[O-])c1C ZINC001154103596 1031928179 /nfs/dbraw/zinc/92/81/79/1031928179.db2.gz AZPLXNJDROGFGI-UHFFFAOYSA-N -1 3 399.232 3.554 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1C[C@@]1(F)c1ccccc1 ZINC001154104542 1031928332 /nfs/dbraw/zinc/92/83/32/1031928332.db2.gz SAZQWIBNHPTVOH-MLGOLLRUSA-N -1 3 397.187 3.820 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)[n-]c2c1 ZINC001154119888 1031937211 /nfs/dbraw/zinc/93/72/11/1031937211.db2.gz VLBRFUGTHXGTOX-TWLOVUBOSA-N -1 3 380.488 3.871 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc12 ZINC001226533375 1032000348 /nfs/dbraw/zinc/00/03/48/1032000348.db2.gz DWVLGTAVBASWQE-OLZOCXBDSA-N -1 3 375.421 3.584 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2ccc3ccc(Cl)nc3c2)c1[O-] ZINC001157025491 1033375794 /nfs/dbraw/zinc/37/57/94/1033375794.db2.gz PHGRFMPGGODUML-UHFFFAOYSA-N -1 3 379.794 3.629 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(OC(C)C)c1 ZINC001157105404 1033416478 /nfs/dbraw/zinc/41/64/78/1033416478.db2.gz HQDUCILIAGXXEL-UHFFFAOYSA-N -1 3 389.452 3.803 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(OC(C)C)c1 ZINC001157105404 1033416485 /nfs/dbraw/zinc/41/64/85/1033416485.db2.gz HQDUCILIAGXXEL-UHFFFAOYSA-N -1 3 389.452 3.803 20 0 GHADHM Cc1csc2[n-]c(=S)nc(OC3CCN(c4cc(Cl)ncn4)CC3)c12 ZINC001229353814 1033433165 /nfs/dbraw/zinc/43/31/65/1033433165.db2.gz RHVJRSQUSIPSNO-UHFFFAOYSA-N -1 3 393.925 3.780 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001157222996 1033480147 /nfs/dbraw/zinc/48/01/47/1033480147.db2.gz SFONFSVBOUOBPE-JKSUJKDBSA-N -1 3 395.503 3.767 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3nc(=S)[n-]c4sccc43)[C@H]2C1 ZINC001229571027 1033564518 /nfs/dbraw/zinc/56/45/18/1033564518.db2.gz YLESMRKUGSKIBK-ZMLRMANQSA-N -1 3 379.507 3.614 20 0 GHADHM CCc1ccc(C(=O)N[C@@](CC)(C(=O)OC)c2ccc(Cl)cc2)c([O-])c1 ZINC001157533874 1033645735 /nfs/dbraw/zinc/64/57/35/1033645735.db2.gz GZRKQPNFDPCISS-HXUWFJFHSA-N -1 3 375.852 3.816 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)cc1Cl ZINC001206060244 1033703221 /nfs/dbraw/zinc/70/32/21/1033703221.db2.gz OASFVNWCIDDVFJ-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229954790 1033814724 /nfs/dbraw/zinc/81/47/24/1033814724.db2.gz PKPMOEVSXGMYSC-FQEVSTJZSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229954790 1033814743 /nfs/dbraw/zinc/81/47/43/1033814743.db2.gz PKPMOEVSXGMYSC-FQEVSTJZSA-N -1 3 386.411 3.730 20 0 GHADHM COc1c([O-])cc(OC2CCN(C)CC2)c2c(=O)cc(-c3ccccc3)oc12 ZINC001229975462 1033826065 /nfs/dbraw/zinc/82/60/65/1033826065.db2.gz OPCUNIWMCIBVNS-UHFFFAOYSA-N -1 3 381.428 3.647 20 0 GHADHM CN(Cc1cccc([O-])c1Br)CC(C)(C)NC(=O)OC(C)(C)C ZINC001206636801 1033931865 /nfs/dbraw/zinc/93/18/65/1033931865.db2.gz SNTUNFKBKXYUSP-UHFFFAOYSA-N -1 3 387.318 3.890 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)c([O-])c1 ZINC001158510796 1034117337 /nfs/dbraw/zinc/11/73/37/1034117337.db2.gz LZXLLFMSNUBKGX-NSHDSACASA-N -1 3 393.365 3.875 20 0 GHADHM O=C(c1ccccn1)[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1ccccn1 ZINC001230886134 1034271604 /nfs/dbraw/zinc/27/16/04/1034271604.db2.gz OTOUIKPLRKVLIR-SFHVURJKSA-N -1 3 392.802 3.782 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231075444 1034380661 /nfs/dbraw/zinc/38/06/61/1034380661.db2.gz CNYKKIBWKUXJKX-LBPRGKRZSA-N -1 3 377.416 3.643 20 0 GHADHM [O-]c1ccc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cc1C(F)(F)F ZINC001231522694 1034673804 /nfs/dbraw/zinc/67/38/04/1034673804.db2.gz RSDYBUBLNZJVOM-MRXNPFEDSA-N -1 3 395.425 3.666 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523712 1034675329 /nfs/dbraw/zinc/67/53/29/1034675329.db2.gz WSBIMUPJHOTJQT-GJZGRUSLSA-N -1 3 386.414 3.995 20 0 GHADHM O=C(OCc1ccccc1)C1(NC(F)(F)c2cc(Cl)nc(=S)[n-]2)CCC1 ZINC001159817492 1034752524 /nfs/dbraw/zinc/75/25/24/1034752524.db2.gz ZJFCFGATXJQJNA-UHFFFAOYSA-N -1 3 399.850 3.724 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccs2)n1 ZINC001231675494 1034827888 /nfs/dbraw/zinc/82/78/88/1034827888.db2.gz RKRIKRPZMVZFNH-INIZCTEOSA-N -1 3 389.521 3.951 20 0 GHADHM COC(=O)c1ccc(CN2CCN(Cc3ccc(Cl)c([O-])c3)[C@@H](C)C2)cc1 ZINC001231733778 1034869854 /nfs/dbraw/zinc/86/98/54/1034869854.db2.gz HBIHELZNONKCSY-HNNXBMFYSA-N -1 3 388.895 3.539 20 0 GHADHM COc1ccc(CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001231755980 1034885170 /nfs/dbraw/zinc/88/51/70/1034885170.db2.gz HARWFIDJZAZNIZ-NRFANRHFSA-N -1 3 392.496 3.520 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001208477636 1034910631 /nfs/dbraw/zinc/91/06/31/1034910631.db2.gz TUWJRCWIQFUSRF-CYBMUJFWSA-N -1 3 376.478 3.859 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1F ZINC001461936824 1069902131 /nfs/dbraw/zinc/90/21/31/1069902131.db2.gz DAGPRZSPXSSFEW-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM Cc1ccc(F)c(-c2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)n[nH]2)c1 ZINC001160902904 1035090713 /nfs/dbraw/zinc/09/07/13/1035090713.db2.gz HQRRIHRPDAXANY-UHFFFAOYSA-N -1 3 398.344 3.896 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1 ZINC001209092460 1035169189 /nfs/dbraw/zinc/16/91/89/1035169189.db2.gz OGHQDMHOJNQJEP-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM CN(C)c1ncc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1Cl ZINC001161280565 1035200166 /nfs/dbraw/zinc/20/01/66/1035200166.db2.gz QFQHGJMXJYAXTH-UHFFFAOYSA-N -1 3 382.811 3.585 20 0 GHADHM CN(C)c1ncc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1Cl ZINC001161280565 1035200172 /nfs/dbraw/zinc/20/01/72/1035200172.db2.gz QFQHGJMXJYAXTH-UHFFFAOYSA-N -1 3 382.811 3.585 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)c1cc(Br)cc(F)c1[O-])c1ccco1 ZINC001161305376 1035206066 /nfs/dbraw/zinc/20/60/66/1035206066.db2.gz MQQDGFJNIPLTEU-HZMBPMFUSA-N -1 3 399.260 3.746 20 0 GHADHM CC[C@@H](Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1)C(F)(F)F ZINC001161382359 1035219913 /nfs/dbraw/zinc/21/99/13/1035219913.db2.gz BTSVLQQVNPAUHW-CYBMUJFWSA-N -1 3 395.353 3.913 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc4cccc(Cl)c4nc3C)c2c1=O ZINC001161526566 1035250838 /nfs/dbraw/zinc/25/08/38/1035250838.db2.gz BCXMZFVMUUNBCP-UHFFFAOYSA-N -1 3 395.850 3.815 20 0 GHADHM O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1c([O-])cccc1O ZINC001161630050 1035275148 /nfs/dbraw/zinc/27/51/48/1035275148.db2.gz CCNXTSKTLLWTBV-UHFFFAOYSA-N -1 3 381.335 3.887 20 0 GHADHM O=C(NC(=S)Nc1c([O-])cccc1Br)c1ccc(Cl)cc1 ZINC001248179881 1035607786 /nfs/dbraw/zinc/60/77/86/1035607786.db2.gz LQJRRZXMQHQIIC-UHFFFAOYSA-N -1 3 385.670 3.935 20 0 GHADHM COc1cc([N-]C(=S)NC(=O)c2ccc(Cl)cc2)c(C(C)=O)cc1OC ZINC001248186917 1035614367 /nfs/dbraw/zinc/61/43/67/1035614367.db2.gz OYYDZSJUTCBYNK-UHFFFAOYSA-N -1 3 392.864 3.687 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243546749 1036204092 /nfs/dbraw/zinc/20/40/92/1036204092.db2.gz DZZYVEMBPWHAEU-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM NS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243611549 1036218358 /nfs/dbraw/zinc/21/83/58/1036218358.db2.gz LEUVXXCIWAMIRI-UHFFFAOYSA-N -1 3 385.285 3.744 20 0 GHADHM COC(=O)c1nc2nc(C3=CC[C@H](OC(=O)c4ccccc4)CC3)ccc2[n-]1 ZINC001244805496 1036655654 /nfs/dbraw/zinc/65/56/54/1036655654.db2.gz QVFVJQDVKYYSBT-HNNXBMFYSA-N -1 3 377.400 3.537 20 0 GHADHM COC(=O)c1nc2ccc(C3=CC[C@H](OC(=O)c4ccccc4)CC3)nc2[n-]1 ZINC001244805496 1036655667 /nfs/dbraw/zinc/65/56/67/1036655667.db2.gz QVFVJQDVKYYSBT-HNNXBMFYSA-N -1 3 377.400 3.537 20 0 GHADHM CN(CCCC(=O)c1cccnc1)Cc1cc(F)c([O-])c(Br)c1 ZINC001232633331 1038419595 /nfs/dbraw/zinc/41/95/95/1038419595.db2.gz LIZSJNDUXIVFEW-UHFFFAOYSA-N -1 3 381.245 3.784 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1I ZINC001232872809 1038637268 /nfs/dbraw/zinc/63/72/68/1038637268.db2.gz JTNWBIIIXBNSFQ-OAHLLOKOSA-N -1 3 380.229 3.729 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232931120 1038713343 /nfs/dbraw/zinc/71/33/43/1038713343.db2.gz JKBIUOCZCAZQIE-UHFFFAOYSA-N -1 3 382.451 3.940 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232973807 1038745341 /nfs/dbraw/zinc/74/53/41/1038745341.db2.gz AVFKKMLRXLDOEQ-INIZCTEOSA-N -1 3 382.451 3.940 20 0 GHADHM CC(C)S(=O)(=O)[N-]c1cccc(Br)c1NC(=O)OC(C)(C)C ZINC001252530736 1039023475 /nfs/dbraw/zinc/02/34/75/1039023475.db2.gz YCLLKAGQEWDFQA-UHFFFAOYSA-N -1 3 393.303 3.946 20 0 GHADHM CC(C)S(=O)(=O)[N-]c1ccccc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001252535322 1039024842 /nfs/dbraw/zinc/02/48/42/1039024842.db2.gz JYPMTUIQBBQDMI-HNNXBMFYSA-N -1 3 398.525 3.615 20 0 GHADHM COc1ccc(CN2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233397832 1039233191 /nfs/dbraw/zinc/23/31/91/1039233191.db2.gz NNFPQZKTXSCJTP-LJQANCHMSA-N -1 3 384.904 3.933 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233397019 1039233977 /nfs/dbraw/zinc/23/39/77/1039233977.db2.gz HXSKIEYOOCQCQS-UHFFFAOYSA-N -1 3 394.849 3.852 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252892216 1039234820 /nfs/dbraw/zinc/23/48/20/1039234820.db2.gz AVLJHANXDHFPHE-UHFFFAOYSA-N -1 3 376.478 4.000 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1C(F)(F)F ZINC001253052369 1039379630 /nfs/dbraw/zinc/37/96/30/1039379630.db2.gz LYGCXWBENQESKX-MDZDMXLPSA-N -1 3 385.363 3.905 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2cc([O-])c(F)cc2F)cc1 ZINC001253426816 1039623815 /nfs/dbraw/zinc/62/38/15/1039623815.db2.gz TTZUMQQKQHZGLV-CQSZACIVSA-N -1 3 379.403 3.598 20 0 GHADHM Cc1ccc(OC[C@H](O)CNc2cc(Br)cc(Cl)c2[O-])cc1 ZINC001253837716 1039847828 /nfs/dbraw/zinc/84/78/28/1039847828.db2.gz MIFPYNYUQZSRJG-GFCCVEGCSA-N -1 3 386.673 3.968 20 0 GHADHM CC(C)N1CC[C@@H](Oc2cc3c(=O)c(-c4ccc(O)cc4)coc3cc2[O-])C1 ZINC001234144516 1039882572 /nfs/dbraw/zinc/88/25/72/1039882572.db2.gz LDAROKQNBMJKIO-MRXNPFEDSA-N -1 3 381.428 3.733 20 0 GHADHM CC(C)(Oc1nc2c(cccc2[O-])[nH]1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001234448302 1040040532 /nfs/dbraw/zinc/04/05/32/1040040532.db2.gz UZQZOYMVGQEECW-INIZCTEOSA-N -1 3 378.384 3.536 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1F ZINC001254297224 1040148470 /nfs/dbraw/zinc/14/84/70/1040148470.db2.gz VPKSCSYTOLNCAP-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C)COC(C)(C)C ZINC001234606418 1040163152 /nfs/dbraw/zinc/16/31/52/1040163152.db2.gz BMMJWDFLKWDEPD-JTQLQIEISA-N -1 3 375.259 3.914 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C(F)(F)F)cc1 ZINC001255068192 1040761032 /nfs/dbraw/zinc/76/10/32/1040761032.db2.gz WAUMZMBKLCPDKT-UHFFFAOYSA-N -1 3 398.406 3.501 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c4ccccc4nn3C)nc(=O)c2c1C ZINC001255123557 1040814750 /nfs/dbraw/zinc/81/47/50/1040814750.db2.gz IDKCPOWBTFJKJV-SNVBAGLBSA-N -1 3 382.445 3.818 20 0 GHADHM COC(=O)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC001255588423 1041148706 /nfs/dbraw/zinc/14/87/06/1041148706.db2.gz REEUPYNYEJBTOK-SFHVURJKSA-N -1 3 380.799 3.965 20 0 GHADHM [O-]c1ccc(I)c(-c2nnc(Cc3ccccc3F)o2)c1 ZINC001255867922 1041358473 /nfs/dbraw/zinc/35/84/73/1041358473.db2.gz XINNYWONHFFEKV-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC001255920756 1041408423 /nfs/dbraw/zinc/40/84/23/1041408423.db2.gz GKWZMMJGDKVWEH-UHFFFAOYSA-N -1 3 391.342 3.822 20 0 GHADHM CC(C)NC(=O)N1CCCC2(CCN(Cc3cccc([O-])c3Cl)CC2)C1 ZINC001278911060 1041529028 /nfs/dbraw/zinc/52/90/28/1041529028.db2.gz VBXTUKWESODKHR-UHFFFAOYSA-N -1 3 379.932 3.842 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Oc2ccccc2)nc1)c1ccc(F)cc1F ZINC001256117197 1041550358 /nfs/dbraw/zinc/55/03/58/1041550358.db2.gz AIILDUGOBDVEIN-UHFFFAOYSA-N -1 3 390.411 3.673 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCOCC2)c(C)cc1Cl ZINC001256200113 1041645243 /nfs/dbraw/zinc/64/52/43/1041645243.db2.gz KJUJMSKESGIJCM-UHFFFAOYSA-N -1 3 398.887 3.733 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)c([O-])c2)C2(CC2)C1 ZINC001236684008 1041828977 /nfs/dbraw/zinc/82/89/77/1041828977.db2.gz LUVJCGAWKXUKED-UHFFFAOYSA-N -1 3 397.313 3.740 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(Br)c([O-])c3)[C@@H]2C1 ZINC001236683050 1041829098 /nfs/dbraw/zinc/82/90/98/1041829098.db2.gz FUWXRPWRTRYNLK-DZGCQCFKSA-N -1 3 397.313 3.596 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)s1 ZINC001237159320 1042070831 /nfs/dbraw/zinc/07/08/31/1042070831.db2.gz WZDGKJIIIZLBOL-GJZGRUSLSA-N -1 3 379.913 3.509 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001237548459 1042259077 /nfs/dbraw/zinc/25/90/77/1042259077.db2.gz LOTLCLPEQIXIIK-KRWDZBQOSA-N -1 3 387.436 3.706 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1ccc2c(Cl)cccc2c1 ZINC001237551329 1042260857 /nfs/dbraw/zinc/26/08/57/1042260857.db2.gz ZXWJCXPQAUZCLN-HNNXBMFYSA-N -1 3 377.853 3.707 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001237991399 1042446909 /nfs/dbraw/zinc/44/69/09/1042446909.db2.gz HWXYXONQAOIWIC-XJKSGUPXSA-N -1 3 381.904 3.738 20 0 GHADHM NC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149975 1042505306 /nfs/dbraw/zinc/50/53/06/1042505306.db2.gz MRUPQGBQQYBOOP-PKOBYXMFSA-N -1 3 376.859 3.808 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001238233893 1042527606 /nfs/dbraw/zinc/52/76/06/1042527606.db2.gz WKVCTESIRRXOTF-UHFFFAOYSA-N -1 3 388.483 3.529 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001238235328 1042528048 /nfs/dbraw/zinc/52/80/48/1042528048.db2.gz SPWAGAVJKNLUGR-SIKLNZKXSA-N -1 3 391.483 3.854 20 0 GHADHM Cc1cnc2n1CCC21CCN(Cc2c(Br)ccc([O-])c2F)CC1 ZINC001238306292 1042548606 /nfs/dbraw/zinc/54/86/06/1042548606.db2.gz ABFQYFOXMRXTGH-UHFFFAOYSA-N -1 3 394.288 3.736 20 0 GHADHM O=S(=O)([N-]Cc1c[nH]c2ccccc12)c1cccc(F)c1Br ZINC001238524602 1042628997 /nfs/dbraw/zinc/62/89/97/1042628997.db2.gz DWGKUNYMNFNQKB-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001240855111 1042959640 /nfs/dbraw/zinc/95/96/40/1042959640.db2.gz VJEXMUSMBPFZKE-HNNXBMFYSA-N -1 3 391.437 3.845 20 0 GHADHM CCCCOc1cccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001291612741 1043358590 /nfs/dbraw/zinc/35/85/90/1043358590.db2.gz PVMLFLPKHQHHLF-UHFFFAOYSA-N -1 3 386.398 3.915 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Br)c1cccc(Cl)c1 ZINC001256715405 1043634591 /nfs/dbraw/zinc/63/45/91/1043634591.db2.gz SOGYMSKASRJSKQ-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)cc1OC ZINC001257097208 1043843986 /nfs/dbraw/zinc/84/39/86/1043843986.db2.gz BKNWZDAPVQHWBO-UHFFFAOYSA-N -1 3 395.330 3.542 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001292765506 1043866702 /nfs/dbraw/zinc/86/67/02/1043866702.db2.gz SXCRWKFPYZTWHH-UHFFFAOYSA-N -1 3 375.424 3.988 20 0 GHADHM O=c1[nH]cc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257196344 1043930469 /nfs/dbraw/zinc/93/04/69/1043930469.db2.gz NVDVFXHRDQEGQF-UHFFFAOYSA-N -1 3 396.255 3.957 20 0 GHADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1Cl ZINC001257292992 1043958487 /nfs/dbraw/zinc/95/84/87/1043958487.db2.gz AEOYDIKYZYKGLN-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccccc1 ZINC001257508055 1044026794 /nfs/dbraw/zinc/02/67/94/1044026794.db2.gz GONWFBVFKDCVBN-GFCCVEGCSA-N -1 3 379.334 3.636 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc([O-])c1Br ZINC001257627993 1044091683 /nfs/dbraw/zinc/09/16/83/1044091683.db2.gz BXETUGCPRRINHV-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1F)C1CC1)c1c(Cl)cccc1Cl ZINC001257791505 1044175696 /nfs/dbraw/zinc/17/56/96/1044175696.db2.gz XJNFVWFWXYNQDW-ZDUSSCGKSA-N -1 3 375.252 3.957 20 0 GHADHM O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)c1cc(=O)[n-]cn1 ZINC001293661835 1044281746 /nfs/dbraw/zinc/28/17/46/1044281746.db2.gz WKRYXFFMAGCJJS-UHFFFAOYSA-N -1 3 375.363 3.865 20 0 GHADHM O=C(Cc1ccsc1)N1CC2(CN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1 ZINC001279083762 1044477342 /nfs/dbraw/zinc/47/73/42/1044477342.db2.gz JGOPJTONDXVCIY-UHFFFAOYSA-N -1 3 397.327 3.647 20 0 GHADHM CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294116928 1044480473 /nfs/dbraw/zinc/48/04/73/1044480473.db2.gz QXQAYPJZVZBBQD-KRWDZBQOSA-N -1 3 399.539 3.650 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1c(Cl)cccc1Cl ZINC001258464953 1044572094 /nfs/dbraw/zinc/57/20/94/1044572094.db2.gz FXLDJNYYKODFPJ-SSDOTTSWSA-N -1 3 382.700 3.728 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC001258466496 1044573114 /nfs/dbraw/zinc/57/31/14/1044573114.db2.gz ZOOQNQDXMOCKCH-SSDOTTSWSA-N -1 3 382.700 3.728 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c(Cl)c1 ZINC001258973848 1044913012 /nfs/dbraw/zinc/91/30/12/1044913012.db2.gz AWCBPRVXRBGNJV-UGSOOPFHSA-N -1 3 383.897 3.680 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2ccc(Br)s2)CC(C)(C)O1 ZINC001259059911 1044942122 /nfs/dbraw/zinc/94/21/22/1044942122.db2.gz FAANXPYNPFCXDN-UHFFFAOYSA-N -1 3 382.345 3.525 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(Br)s1 ZINC001259059707 1044942149 /nfs/dbraw/zinc/94/21/49/1044942149.db2.gz WZWMPYQAERPBCO-MNOVXSKESA-N -1 3 392.727 3.998 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CC1)c1ccc(Br)s1 ZINC001259060697 1044942234 /nfs/dbraw/zinc/94/22/34/1044942234.db2.gz BFMWPIMVXZFIKO-UHFFFAOYSA-N -1 3 394.262 3.756 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@@H]2CCCO2)c(C)c1 ZINC001259101470 1044961829 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Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc([C@H]2CN3C=CSC3=N2)c1 ZINC001259491095 1045200260 /nfs/dbraw/zinc/20/02/60/1045200260.db2.gz IDBHYZYVPAVKCS-MRXNPFEDSA-N -1 3 389.477 3.866 20 0 GHADHM COc1ccc(CC(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC001259504869 1045209209 /nfs/dbraw/zinc/20/92/09/1045209209.db2.gz OKDBPRIXUZDTBT-UHFFFAOYSA-N -1 3 387.423 3.660 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2cccnc2C(F)(F)F)C2CC2)c1 ZINC001259641960 1045255310 /nfs/dbraw/zinc/25/53/10/1045255310.db2.gz OJUSZSDLBCVKNT-HNNXBMFYSA-N -1 3 388.386 3.978 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)CCc2cccc(F)c2)c1 ZINC001259774193 1045298196 /nfs/dbraw/zinc/29/81/96/1045298196.db2.gz JQAIMMBUBNUKMS-UHFFFAOYSA-N -1 3 397.443 3.905 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1cc(F)c(Br)cc1F ZINC001259779787 1045300921 /nfs/dbraw/zinc/30/09/21/1045300921.db2.gz ILGSJMIXCXPQKS-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1cnc2c(Br)cccc2c1 ZINC001259866781 1045325348 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GHADHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001297613326 1045588184 /nfs/dbraw/zinc/58/81/84/1045588184.db2.gz MQNJRIZVTAMKNY-UGSOOPFHSA-N -1 3 392.908 3.935 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC001260649996 1045591646 /nfs/dbraw/zinc/59/16/46/1045591646.db2.gz NZGBPVJJYUPICE-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CC(C)(C)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC001260674673 1045601477 /nfs/dbraw/zinc/60/14/77/1045601477.db2.gz KFZNSBRJIZCZNE-UHFFFAOYSA-N -1 3 388.489 3.797 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccncc2C(F)(F)F)C2CC2)s1 ZINC001260687135 1045607334 /nfs/dbraw/zinc/60/73/34/1045607334.db2.gz HUKXQAYKYLXKGG-AWEZNQCLSA-N -1 3 376.425 3.900 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(NC(C)=O)c2)c(C)c1 ZINC001260809925 1045676929 /nfs/dbraw/zinc/67/69/29/1045676929.db2.gz DMFHDRFQBPFTLJ-UHFFFAOYSA-N -1 3 375.494 3.600 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC001260811093 1045677431 /nfs/dbraw/zinc/67/74/31/1045677431.db2.gz DPFVDLWNXSZTDV-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC001260897196 1045753931 /nfs/dbraw/zinc/75/39/31/1045753931.db2.gz GCKYLBQFLJPHPX-UHFFFAOYSA-N -1 3 375.343 3.989 20 0 GHADHM Cc1cccc(C)c1C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC001260910583 1045765986 /nfs/dbraw/zinc/76/59/86/1045765986.db2.gz FPUINNUYXNRYLJ-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)nc2Cl)cc1Cl ZINC001260967808 1045787437 /nfs/dbraw/zinc/78/74/37/1045787437.db2.gz GBHPZDROVDYSIV-UHFFFAOYSA-N -1 3 385.631 3.990 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1F ZINC001260989061 1045803144 /nfs/dbraw/zinc/80/31/44/1045803144.db2.gz QSTVRUKRLZFAKM-UHFFFAOYSA-N -1 3 376.453 3.773 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC001261010661 1045830063 /nfs/dbraw/zinc/83/00/63/1045830063.db2.gz OWFCLENKJWSDGO-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001261011914 1045832811 /nfs/dbraw/zinc/83/28/11/1045832811.db2.gz GHYDHQUMGSUPEN-LBPRGKRZSA-N -1 3 399.406 3.633 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F ZINC001261012552 1045834794 /nfs/dbraw/zinc/83/47/94/1045834794.db2.gz XZWQBXOZIGVDJS-OCCSQVGLSA-N -1 3 377.334 3.818 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C)ccc1Br ZINC001261048409 1045867836 /nfs/dbraw/zinc/86/78/36/1045867836.db2.gz AKTRZJKAUVTJCN-UHFFFAOYSA-N -1 3 381.295 3.551 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC001261051090 1045872569 /nfs/dbraw/zinc/87/25/69/1045872569.db2.gz INNVSMXLNGBLEY-GFCCVEGCSA-N -1 3 385.894 3.544 20 0 GHADHM CN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001298602905 1045888469 /nfs/dbraw/zinc/88/84/69/1045888469.db2.gz SOSUWRIHWMQWFW-MRXNPFEDSA-N -1 3 386.249 3.739 20 0 GHADHM CC(=O)c1cccc(NC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)c1[O-] ZINC001298749050 1045938158 /nfs/dbraw/zinc/93/81/58/1045938158.db2.gz MWBDJTBBXZZUBC-UHFFFAOYSA-N -1 3 375.465 3.927 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001301110536 1046346874 /nfs/dbraw/zinc/34/68/74/1046346874.db2.gz BWCURNVBWCKGQC-HXUWFJFHSA-N -1 3 385.435 3.542 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001463076644 1070776093 /nfs/dbraw/zinc/77/60/93/1070776093.db2.gz OOCFYKNCQYLKAI-HNNXBMFYSA-N -1 3 399.871 3.565 20 0 GHADHM CC(=O)c1ccc(C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1[O-] ZINC001302507041 1046959108 /nfs/dbraw/zinc/95/91/08/1046959108.db2.gz IQAFIQWCFPVPKU-UHFFFAOYSA-N -1 3 396.443 3.903 20 0 GHADHM CC[C@@H]1c2ccccc2CN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001263679447 1047040712 /nfs/dbraw/zinc/04/07/12/1047040712.db2.gz GLRASYHEKGUCAK-GOSISDBHSA-N -1 3 376.464 3.630 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c(C)o1 ZINC001264110523 1047242770 /nfs/dbraw/zinc/24/27/70/1047242770.db2.gz BNHGFWWMTLZWJT-UHFFFAOYSA-N -1 3 389.458 3.771 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(OC)c3)C2(C)C)c1 ZINC001303170481 1047302065 /nfs/dbraw/zinc/30/20/65/1047302065.db2.gz OQWUTGUGWAAMOR-LJQANCHMSA-N -1 3 394.471 3.934 20 0 GHADHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1NC(=O)OC(C)(C)C ZINC001303521704 1047412044 /nfs/dbraw/zinc/41/20/44/1047412044.db2.gz SNHGNCDOJVXSOX-UHFFFAOYSA-N -1 3 398.463 3.645 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001303654627 1047466630 /nfs/dbraw/zinc/46/66/30/1047466630.db2.gz YVHVQIIQJYYAIP-CHWSQXEVSA-N -1 3 382.888 3.669 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1[O-] ZINC001303793038 1047513675 /nfs/dbraw/zinc/51/36/75/1047513675.db2.gz VAGQVEDSZCZEGX-GOSISDBHSA-N -1 3 387.407 3.547 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)n1 ZINC001303982923 1047553449 /nfs/dbraw/zinc/55/34/49/1047553449.db2.gz BBPLYLMDDDBFTC-WOJBJXKFSA-N -1 3 394.519 3.550 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001304072141 1047578904 /nfs/dbraw/zinc/57/89/04/1047578904.db2.gz QROKNVVUQCPJLU-UHFFFAOYSA-N -1 3 394.393 3.804 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001304264515 1047632289 /nfs/dbraw/zinc/63/22/89/1047632289.db2.gz USIWOUQASVVGDG-GOEBONIOSA-N -1 3 376.497 3.578 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2cccc3ccc(OC)cc32)c([O-])c(OC)c1 ZINC001304506520 1047695571 /nfs/dbraw/zinc/69/55/71/1047695571.db2.gz ZKKRJIGTRAKNES-UHFFFAOYSA-N -1 3 395.411 3.530 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001279330621 1047769754 /nfs/dbraw/zinc/76/97/54/1047769754.db2.gz LSURJGDSJLWJIO-UHFFFAOYSA-N -1 3 379.476 3.533 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCn3ccc4ccccc43)nc21 ZINC001304884658 1047799864 /nfs/dbraw/zinc/79/98/64/1047799864.db2.gz UVSIJHJJWPPOBI-UHFFFAOYSA-N -1 3 376.416 3.723 20 0 GHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CN1Cc1ccccc1 ZINC001463312119 1070980416 /nfs/dbraw/zinc/98/04/16/1070980416.db2.gz ZIGMDWJSLQSMFM-KSSFIOAISA-N -1 3 388.464 3.513 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2nccn2CCc2ccccc2)c([O-])c1 ZINC001306695852 1048823966 /nfs/dbraw/zinc/82/39/66/1048823966.db2.gz KGYIASHFVWUZLF-UHFFFAOYSA-N -1 3 393.487 3.940 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3c(F)ccc(Br)c3C)n[n-]2)o1 ZINC001306706038 1048836026 /nfs/dbraw/zinc/83/60/26/1048836026.db2.gz HFKGAHIIILTHPG-UHFFFAOYSA-N -1 3 379.189 3.835 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)c2c1=O ZINC001306860873 1048931432 /nfs/dbraw/zinc/93/14/32/1048931432.db2.gz AZMLMBPBDQRYCR-AWEZNQCLSA-N -1 3 396.344 3.721 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCO[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC001306886450 1048944320 /nfs/dbraw/zinc/94/43/20/1048944320.db2.gz HPDFGOJWZNNGEK-NRFANRHFSA-N -1 3 385.460 3.793 20 0 GHADHM Cc1cc2cc(C(=O)N3CCCc4c(=O)[n-]cnc43)oc2c(Br)c1 ZINC001288088459 1048980997 /nfs/dbraw/zinc/98/09/97/1048980997.db2.gz OVSIOKZFPIYSKP-UHFFFAOYSA-N -1 3 388.221 3.592 20 0 GHADHM Cc1ccc([C@H]2CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2(C)C)cc1 ZINC001308036884 1049786150 /nfs/dbraw/zinc/78/61/50/1049786150.db2.gz UFMWBEWXDJOBJS-QGZVFWFLSA-N -1 3 383.517 3.585 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1cncc2ccccc21)C(F)(F)F ZINC001308826503 1050110565 /nfs/dbraw/zinc/11/05/65/1050110565.db2.gz SOKAGHGQCGEGHO-KRWDZBQOSA-N -1 3 385.389 3.845 20 0 GHADHM O=C(C[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001308834202 1050114223 /nfs/dbraw/zinc/11/42/23/1050114223.db2.gz AXGAGNOZOHEAIB-HNNXBMFYSA-N -1 3 392.421 3.728 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)N[C@@H](C)c2nccc3ccccc32)[n-]1 ZINC001308844184 1050120188 /nfs/dbraw/zinc/12/01/88/1050120188.db2.gz HGEMRESJTRDYRF-WMLDXEAASA-N -1 3 381.480 3.968 20 0 GHADHM CC(C)N(C)c1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cn1 ZINC001308906223 1050155090 /nfs/dbraw/zinc/15/50/90/1050155090.db2.gz PAGIZTLQZQWJKW-UHFFFAOYSA-N -1 3 388.943 3.603 20 0 GHADHM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H](c1ccccc1)N(C)C ZINC001327456319 1050185045 /nfs/dbraw/zinc/18/50/45/1050185045.db2.gz XTVPEEXSJXSVLB-QGZVFWFLSA-N -1 3 398.532 3.829 20 0 GHADHM O=c1[n-]c(SCc2ncoc2C2CC2)nc2c1cnn2Cc1ccccc1 ZINC001327563010 1050216177 /nfs/dbraw/zinc/21/61/77/1050216177.db2.gz AUHKYROUISSIFJ-UHFFFAOYSA-N -1 3 379.445 3.738 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cn2cc(-c3ccccc3)oc2=S)C1)C(F)(F)F ZINC001327596313 1050226587 /nfs/dbraw/zinc/22/65/87/1050226587.db2.gz PZDWMARNTUPIRQ-CYBMUJFWSA-N -1 3 399.438 3.826 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2ccc3ccccc3c2Br)n1 ZINC001309031666 1050288405 /nfs/dbraw/zinc/28/84/05/1050288405.db2.gz XNHLVCJTXDBHKO-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM O=C(NCc1ccc(-c2nnco2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001327918494 1050325620 /nfs/dbraw/zinc/32/56/20/1050325620.db2.gz WZKFPBRRAQDBDB-UHFFFAOYSA-N -1 3 385.423 3.963 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCN1CCCc2ccccc21 ZINC001309125737 1050382981 /nfs/dbraw/zinc/38/29/81/1050382981.db2.gz VXMXAAZGIGAMHP-UHFFFAOYSA-N -1 3 388.464 3.611 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCSCC(C)C)c(C)c1Cl ZINC001309319383 1050589698 /nfs/dbraw/zinc/58/96/98/1050589698.db2.gz XJLYIILIIUXYJI-UHFFFAOYSA-N -1 3 399.987 3.554 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309428531 1050713245 /nfs/dbraw/zinc/71/32/45/1050713245.db2.gz GXQSQXPYTOAJRE-HOTGVXAUSA-N -1 3 380.535 3.682 20 0 GHADHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001309441952 1050722570 /nfs/dbraw/zinc/72/25/70/1050722570.db2.gz WYFQWGWDNLWCFU-LLVKDONJSA-N -1 3 387.851 3.824 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCC(C)CC1 ZINC001309466726 1050741363 /nfs/dbraw/zinc/74/13/63/1050741363.db2.gz MFRJKGYJHXJBNK-UHFFFAOYSA-N -1 3 388.942 3.823 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001309472537 1050746795 /nfs/dbraw/zinc/74/67/95/1050746795.db2.gz FOITWHOMGZKFGU-WBVHZDCISA-N -1 3 391.464 3.617 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1)C1CCCCC1 ZINC001309476117 1050749813 /nfs/dbraw/zinc/74/98/13/1050749813.db2.gz MMEQLPABHHOQIQ-DPOKWSEZSA-N -1 3 398.594 3.978 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccnc1Cl ZINC001309506641 1050772079 /nfs/dbraw/zinc/77/20/79/1050772079.db2.gz SRBOXWSIOOCIGE-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@@H]1CC1(C)C ZINC001309599187 1050850023 /nfs/dbraw/zinc/85/00/23/1050850023.db2.gz BSRSCJAQHIDTMU-GXFFZTMASA-N -1 3 378.307 4.000 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CC(C)(C)C1 ZINC001309704769 1050929494 /nfs/dbraw/zinc/92/94/94/1050929494.db2.gz WHRQCMASUCYKBD-UHFFFAOYSA-N -1 3 382.707 3.578 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2CC(C)C)c(F)c1 ZINC001309708789 1050931371 /nfs/dbraw/zinc/93/13/71/1050931371.db2.gz DVORMDRDACDFNN-UHFFFAOYSA-N -1 3 393.480 3.679 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)C)c(F)c1 ZINC001309745830 1050952282 /nfs/dbraw/zinc/95/22/82/1050952282.db2.gz AHTAYYRGPCNNTB-GOSISDBHSA-N -1 3 379.453 3.596 20 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COc1ccc(CCN(CC(C)(C)C)C(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001318861970 1054921692 /nfs/dbraw/zinc/92/16/92/1054921692.db2.gz JKVVEAXWWIOFDJ-UHFFFAOYSA-N -1 3 385.508 3.549 20 0 GHADHM COC[C@@H]1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC(C)C)C1 ZINC001345207791 1054940992 /nfs/dbraw/zinc/94/09/92/1054940992.db2.gz AFWPSIOWPKMUQV-OAHLLOKOSA-N -1 3 392.931 3.551 20 0 GHADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc(Cn2cccc2)cc1 ZINC001318915223 1054948496 /nfs/dbraw/zinc/94/84/96/1054948496.db2.gz QSUVJJKDVWYXHU-UHFFFAOYSA-N -1 3 379.370 3.852 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cnc2scc(-c3ccccc3)n2c1=O ZINC001319529130 1055308428 /nfs/dbraw/zinc/30/84/28/1055308428.db2.gz MTPWNVQESMMRQV-UHFFFAOYSA-N -1 3 381.388 3.520 20 0 GHADHM Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001320530032 1055862698 /nfs/dbraw/zinc/86/26/98/1055862698.db2.gz ZFZSXHGALXNEAM-UHFFFAOYSA-N -1 3 388.508 3.954 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC001320581155 1055892723 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O=C(N[C@H]1CCCOc2ccc(F)cc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001442218294 1058934623 /nfs/dbraw/zinc/93/46/23/1058934623.db2.gz DJCSHLXTRYKBFX-INIZCTEOSA-N -1 3 388.345 3.589 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443096946 1059064388 /nfs/dbraw/zinc/06/43/88/1059064388.db2.gz NHNDJKMYYHINGE-INIZCTEOSA-N -1 3 382.243 3.921 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c(C)c1 ZINC001443190972 1059080774 /nfs/dbraw/zinc/08/07/74/1059080774.db2.gz UDCYHCTTXVDTKH-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001443268514 1059095226 /nfs/dbraw/zinc/09/52/26/1059095226.db2.gz RAPDKLKHMPFGER-UHFFFAOYSA-N -1 3 386.249 3.720 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001339365280 1059144156 /nfs/dbraw/zinc/14/41/56/1059144156.db2.gz ZYCDWORCODXHNZ-ZHALLVOQSA-N -1 3 390.491 3.542 20 0 GHADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)c([O-])c1 ZINC001444130311 1059268036 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Cc1n[n-]c(S(=O)(=O)[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC001340962907 1060291072 /nfs/dbraw/zinc/29/10/72/1060291072.db2.gz ZCXDMMZBFYSNJD-SSDOTTSWSA-N -1 3 387.248 3.610 20 0 GHADHM Cc1nnc(S(=O)(=O)[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC001340962907 1060291090 /nfs/dbraw/zinc/29/10/90/1060291090.db2.gz ZCXDMMZBFYSNJD-SSDOTTSWSA-N -1 3 387.248 3.610 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001449200958 1060350519 /nfs/dbraw/zinc/35/05/19/1060350519.db2.gz WXRGRDBJWKYMDW-YYIAUSFCSA-N -1 3 395.503 3.856 20 0 GHADHM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001449267063 1060368999 /nfs/dbraw/zinc/36/89/99/1060368999.db2.gz UAQFXWVJNGZBEY-KUHUBIRLSA-N -1 3 393.405 3.969 20 0 GHADHM O=Cc1cccc(OCc2cccc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c2)c1 ZINC001450052084 1060512308 /nfs/dbraw/zinc/51/23/08/1060512308.db2.gz SUBPLANZVSTYCS-UHFFFAOYSA-N -1 3 387.395 3.912 20 0 GHADHM O=C(N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001452452084 1060940967 /nfs/dbraw/zinc/94/09/67/1060940967.db2.gz XSBQTYUIZIRTMT-LEWJYISDSA-N -1 3 397.471 3.625 20 0 GHADHM COc1cccc(CC2(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)CCCCC2)c1 ZINC001452719825 1060992923 /nfs/dbraw/zinc/99/29/23/1060992923.db2.gz LOHQWLNNCLPWGI-KRWDZBQOSA-N -1 3 383.492 3.633 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C(F)F)C2CCCCC2)c(Cl)c1 ZINC001453685324 1061179024 /nfs/dbraw/zinc/17/90/24/1061179024.db2.gz GPVRHWWWJQPAQM-CQSZACIVSA-N -1 3 394.871 3.655 20 0 GHADHM CC1(c2ccccc2)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001453876282 1061218263 /nfs/dbraw/zinc/21/82/63/1061218263.db2.gz PFMUBJGGZWUZSO-UHFFFAOYSA-N -1 3 397.272 3.704 20 0 GHADHM COc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC001454416977 1061773523 /nfs/dbraw/zinc/77/35/23/1061773523.db2.gz MRGAZUOCPNTDKC-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM COc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC001454416977 1061773536 /nfs/dbraw/zinc/77/35/36/1061773536.db2.gz MRGAZUOCPNTDKC-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC001454478735 1061800631 /nfs/dbraw/zinc/80/06/31/1061800631.db2.gz YNVZJLAOOPZDCK-UHFFFAOYSA-N -1 3 380.213 3.501 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@]12C[C@@H]1CCCC2 ZINC001454686710 1061909964 /nfs/dbraw/zinc/90/99/64/1061909964.db2.gz OZKCGBMLLGTDMH-SYTFOFBDSA-N -1 3 389.293 3.989 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC001454715778 1061919544 /nfs/dbraw/zinc/91/95/44/1061919544.db2.gz UPLBNUSEHRGFQU-CQSZACIVSA-N -1 3 398.459 3.757 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(F)c2C(C)(F)F)c([O-])c1 ZINC001455027401 1061981644 /nfs/dbraw/zinc/98/16/44/1061981644.db2.gz STQGOLHXLIZAPI-UHFFFAOYSA-N -1 3 380.366 3.710 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCCc1ccc2c(c1)CCCC2)NC(=O)OC(C)(C)C ZINC001545858662 1062045684 /nfs/dbraw/zinc/04/56/84/1062045684.db2.gz VFTCVABBZLZALR-INIZCTEOSA-N -1 3 390.524 3.849 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001455268780 1062082322 /nfs/dbraw/zinc/08/23/22/1062082322.db2.gz YVTRCCJQORSUOD-INIZCTEOSA-N -1 3 377.444 3.811 20 0 GHADHM CC(=O)c1ccc(C(=O)NCC2(c3ccc(Br)cc3)CC2)cc1[O-] ZINC001455510053 1062197246 /nfs/dbraw/zinc/19/72/46/1062197246.db2.gz BWWHXDREVUMZEH-UHFFFAOYSA-N -1 3 388.261 3.819 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)C2)n1 ZINC001347305016 1062286830 /nfs/dbraw/zinc/28/68/30/1062286830.db2.gz ICLWMBXJIADBDU-SZMVWBNQSA-N -1 3 394.519 3.565 20 0 GHADHM CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001456078314 1062469844 /nfs/dbraw/zinc/46/98/44/1062469844.db2.gz QYXRTIMTBRYIHY-LBPRGKRZSA-N -1 3 393.361 3.947 20 0 GHADHM Cc1nc(-c2nnc(N3CCC(c4ccsc4)CC3)n2CC(C)C)cc(=O)[n-]1 ZINC001347655469 1062554820 /nfs/dbraw/zinc/55/48/20/1062554820.db2.gz CVIQWSQWYIDHCS-UHFFFAOYSA-N -1 3 398.536 3.851 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(F)ccc2-c2ccoc2)c([O-])c(OC)c1 ZINC001456747723 1062837318 /nfs/dbraw/zinc/83/73/18/1062837318.db2.gz KDEXCSJRCQBPQM-UHFFFAOYSA-N -1 3 385.347 3.839 20 0 GHADHM COc1ccc2nc(C)c(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)cc2c1 ZINC001456937373 1062924630 /nfs/dbraw/zinc/92/46/30/1062924630.db2.gz OONGOAIJWGUCHB-KOMQPUFPSA-N -1 3 392.459 3.504 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(C)c4ccccc4[nH]c3=O)nc21 ZINC001456987646 1062940219 /nfs/dbraw/zinc/94/02/19/1062940219.db2.gz DQGUHMZRAXQLIG-UHFFFAOYSA-N -1 3 390.399 3.554 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CCc3ccc4c(c3)CCO4)n[n-]2)cc1 ZINC001457162315 1062994200 /nfs/dbraw/zinc/99/42/00/1062994200.db2.gz DBZWXMVJGHZCBY-UHFFFAOYSA-N -1 3 394.500 3.912 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2sccc2Cl)ccc1F ZINC001436069254 1063148237 /nfs/dbraw/zinc/14/82/37/1063148237.db2.gz ZWZHPVKJNUIAFE-UHFFFAOYSA-N -1 3 391.873 3.584 20 0 GHADHM CCC[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001436196044 1063279901 /nfs/dbraw/zinc/27/99/01/1063279901.db2.gz VRNMUYBXUZRKGZ-INIZCTEOSA-N -1 3 395.352 3.604 20 0 GHADHM COc1ccccc1-c1nnc([N-]C(=O)c2coc(Br)c2)s1 ZINC001436369191 1063407176 /nfs/dbraw/zinc/40/71/76/1063407176.db2.gz GTTRENIMERGEDI-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]c1C(C)C ZINC001457884625 1063416274 /nfs/dbraw/zinc/41/62/74/1063416274.db2.gz HMGSXADENKWSLB-UHFFFAOYSA-N -1 3 394.353 3.834 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(F)cc(Br)c2F)nn1-c1ccccc1 ZINC001436382338 1063418769 /nfs/dbraw/zinc/41/87/69/1063418769.db2.gz UWKNPAMRTSPMNM-UHFFFAOYSA-N -1 3 393.191 3.869 20 0 GHADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc(C(F)F)ncn1 ZINC001349105482 1063550170 /nfs/dbraw/zinc/55/01/70/1063550170.db2.gz YINKZIULBNIFIV-UHFFFAOYSA-N -1 3 379.417 3.810 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c(C(=O)OCC)[n-]1 ZINC001458956661 1063968297 /nfs/dbraw/zinc/96/82/97/1063968297.db2.gz SFDMYQVDPRNVMJ-AWEZNQCLSA-N -1 3 377.485 3.607 20 0 GHADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(C)c(C(=O)OC)o1 ZINC001350223969 1064025767 /nfs/dbraw/zinc/02/57/67/1064025767.db2.gz AGXQZQQSWUDFOE-UHFFFAOYSA-N -1 3 377.418 3.743 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COCc3ccccc3C)c2)n1 ZINC001350607089 1064139558 /nfs/dbraw/zinc/13/95/58/1064139558.db2.gz MPYYJFLTEGAVCP-UHFFFAOYSA-N -1 3 377.444 3.875 20 0 GHADHM CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)Cc2ccccc2C1 ZINC001463351275 1064274760 /nfs/dbraw/zinc/27/47/60/1064274760.db2.gz VXKRMWAJPQENAE-UHFFFAOYSA-N -1 3 390.814 3.590 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001463419112 1064332711 /nfs/dbraw/zinc/33/27/11/1064332711.db2.gz BECQYFGHWGDCAJ-GTNSWQLSSA-N -1 3 389.851 3.981 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(Cl)cc1 ZINC001463615578 1064503816 /nfs/dbraw/zinc/50/38/16/1064503816.db2.gz YKGZHSSSBNBEMI-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCSC(C)C)c(Br)c1 ZINC001463670122 1064541445 /nfs/dbraw/zinc/54/14/45/1064541445.db2.gz RTDXMINKNCVUNQ-UHFFFAOYSA-N -1 3 386.764 3.831 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001351715744 1064574423 /nfs/dbraw/zinc/57/44/23/1064574423.db2.gz ICIGLQDHHQRIEL-QGZVFWFLSA-N -1 3 384.867 3.752 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1)c1noc(C(F)(F)F)n1 ZINC001463945853 1064733340 /nfs/dbraw/zinc/73/33/40/1064733340.db2.gz NTGWAHNKSCRWNR-MRVPVSSYSA-N -1 3 395.378 3.565 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)COCC2CC2)c(Br)c1 ZINC001464022902 1064775021 /nfs/dbraw/zinc/77/50/21/1064775021.db2.gz HVPKNGXQOBTBMV-SNVBAGLBSA-N -1 3 396.734 3.504 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)/C=C\c2ccccc2Cl)CCCC(C)(C)C1 ZINC001464102763 1064825205 /nfs/dbraw/zinc/82/52/05/1064825205.db2.gz ANSRKMFMSOOJND-DVESRUBUSA-N -1 3 385.913 3.742 20 0 GHADHM COc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC001464128513 1064843087 /nfs/dbraw/zinc/84/30/87/1064843087.db2.gz IPYXPRIGWJFZRJ-UHFFFAOYSA-N -1 3 378.252 3.928 20 0 GHADHM CC(=O)c1sc([N-]C(=O)c2ncoc2-c2ccon2)nc1-c1ccccc1 ZINC001352116356 1064848449 /nfs/dbraw/zinc/84/84/49/1064848449.db2.gz DNEVGRWBUBATIY-UHFFFAOYSA-N -1 3 380.385 3.908 20 0 GHADHM COc1cccc(C2([N-]S(=O)(=O)c3cc(Cl)cnc3Cl)CCC2)c1 ZINC001464136051 1064849841 /nfs/dbraw/zinc/84/98/41/1064849841.db2.gz OEUPEIQPCYEGBD-UHFFFAOYSA-N -1 3 387.288 3.755 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(C(=O)OC(C)(C)C)CCC1 ZINC001464157824 1064873748 /nfs/dbraw/zinc/87/37/48/1064873748.db2.gz SIFXUPPDCVCUKS-UHFFFAOYSA-N -1 3 397.468 3.671 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c(Cl)c1 ZINC001464342034 1064962484 /nfs/dbraw/zinc/96/24/84/1064962484.db2.gz JSMHHCLGNBEGQO-QGZVFWFLSA-N -1 3 396.871 3.828 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C(=O)c1ccccc1 ZINC001464369890 1064975186 /nfs/dbraw/zinc/97/51/86/1064975186.db2.gz QEOLCTBOWGGUIC-INIZCTEOSA-N -1 3 386.498 3.750 20 0 GHADHM O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC001464514726 1065056939 /nfs/dbraw/zinc/05/69/39/1065056939.db2.gz JITLGDSZSIHDGB-UHFFFAOYSA-N -1 3 375.424 3.705 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC2(CCC2)O1)c1c2ncsc2ccc1Cl ZINC001464701390 1065165160 /nfs/dbraw/zinc/16/51/60/1065165160.db2.gz YMTDUDRMXWBIID-LLVKDONJSA-N -1 3 386.926 3.720 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1Cc1ccccc1)c1csnc1-c1ccccc1 ZINC001464813954 1065226658 /nfs/dbraw/zinc/22/66/58/1065226658.db2.gz ABNNZDRPJQHVIF-QZTJIDSGSA-N -1 3 384.526 3.967 20 0 GHADHM COc1ccc(-c2csc(NC(=O)Cc3ccc([O-])c(F)c3)n2)cc1OC ZINC001464853047 1065245972 /nfs/dbraw/zinc/24/59/72/1065245972.db2.gz HLDRLNJAQPIGPD-UHFFFAOYSA-N -1 3 388.420 3.853 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1C(=O)NC(C)C ZINC001465017761 1065330249 /nfs/dbraw/zinc/33/02/49/1065330249.db2.gz LQXOZRUNDAKHDS-UHFFFAOYSA-N -1 3 399.397 3.505 20 0 GHADHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc([O-])cc(Br)c1 ZINC001465083096 1065381266 /nfs/dbraw/zinc/38/12/66/1065381266.db2.gz LFJFDHBLIRZJIL-HNNXBMFYSA-N -1 3 393.256 3.693 20 0 GHADHM CC(C)C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C(=O)OC(C)C ZINC001465149155 1065419604 /nfs/dbraw/zinc/41/96/04/1065419604.db2.gz HWYOJYUGAYMECH-LBPRGKRZSA-N -1 3 399.513 3.586 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cc(F)cc2n[n-]nc21 ZINC001465262018 1065508936 /nfs/dbraw/zinc/50/89/36/1065508936.db2.gz VYWSXTDTUYXJEV-GOSISDBHSA-N -1 3 378.382 3.950 20 0 GHADHM Cc1ccc(C(=O)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC001300161689 1065512868 /nfs/dbraw/zinc/51/28/68/1065512868.db2.gz AFSDASQNTCGJPH-HDICACEKSA-N -1 3 382.504 3.582 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001466263089 1066062233 /nfs/dbraw/zinc/06/22/33/1066062233.db2.gz RBZFDQRZZJLXFG-VIFPVBQESA-N -1 3 380.470 3.628 20 0 GHADHM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001300379091 1066139196 /nfs/dbraw/zinc/13/91/96/1066139196.db2.gz YFWBKOMNDKBGRN-AOMKIAJQSA-N -1 3 388.508 3.722 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCc2ccccc2[C@@H]1CO ZINC001466540240 1066184527 /nfs/dbraw/zinc/18/45/27/1066184527.db2.gz FLPHCLUMYRSOFW-QHCPKHFHSA-N -1 3 387.479 3.909 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001300419140 1066284612 /nfs/dbraw/zinc/28/46/12/1066284612.db2.gz OMXHWCRCYSPZDX-UHFFFAOYSA-N -1 3 389.238 3.738 20 0 GHADHM Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ncccc3[O-])[C@H]2c2cccs2)cc1 ZINC001466803608 1066324164 /nfs/dbraw/zinc/32/41/64/1066324164.db2.gz OHACIDGEVDHNDU-KXBFYZLASA-N -1 3 393.468 3.890 20 0 GHADHM CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001467285156 1067198245 /nfs/dbraw/zinc/19/82/45/1067198245.db2.gz PUJKZPQDTPUWGH-MRXNPFEDSA-N -1 3 381.451 3.850 20 0 GHADHM Cc1sc(Br)nc1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001357805036 1067283078 /nfs/dbraw/zinc/28/30/78/1067283078.db2.gz AIOYPGVNTPVXJP-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM COc1nc2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc2s1 ZINC001467523257 1067341804 /nfs/dbraw/zinc/34/18/04/1067341804.db2.gz JGRLVNJRKMQMEI-UHFFFAOYSA-N -1 3 387.367 3.677 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 ZINC001467592773 1067375690 /nfs/dbraw/zinc/37/56/90/1067375690.db2.gz QMPOTHZCWCQMMF-UHFFFAOYSA-N -1 3 395.419 3.796 20 0 GHADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001467610395 1067384621 /nfs/dbraw/zinc/38/46/21/1067384621.db2.gz KEGKJHMYYONKAV-GOSISDBHSA-N -1 3 396.882 3.919 20 0 GHADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001467610395 1067384630 /nfs/dbraw/zinc/38/46/30/1067384630.db2.gz KEGKJHMYYONKAV-GOSISDBHSA-N -1 3 396.882 3.919 20 0 GHADHM CC(=O)c1cccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)c1[O-] ZINC001468601222 1067786518 /nfs/dbraw/zinc/78/65/18/1067786518.db2.gz LYMWBJHIGINHAN-UYRXBGFRSA-N -1 3 390.395 3.597 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)[n-]n1 ZINC000538683216 1067791458 /nfs/dbraw/zinc/79/14/58/1067791458.db2.gz MLWWAFMQSUIARW-UHFFFAOYSA-N -1 3 395.843 3.536 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)n[n-]1 ZINC000538683216 1067791464 /nfs/dbraw/zinc/79/14/64/1067791464.db2.gz MLWWAFMQSUIARW-UHFFFAOYSA-N -1 3 395.843 3.536 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1)C1CCCC1 ZINC000849307195 1067794014 /nfs/dbraw/zinc/79/40/14/1067794014.db2.gz LMAMCJUKYKEZMA-SFHVURJKSA-N -1 3 398.525 3.838 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000849346651 1067813543 /nfs/dbraw/zinc/81/35/43/1067813543.db2.gz WFJJHHTUNYCBGH-KRWDZBQOSA-N -1 3 382.298 3.928 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(Cl)c(OC)c1 ZINC001468935970 1067932002 /nfs/dbraw/zinc/93/20/02/1067932002.db2.gz DTYSMCAJKWSJKT-UHFFFAOYSA-N -1 3 390.798 3.899 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)c1 ZINC001469784677 1068385683 /nfs/dbraw/zinc/38/56/83/1068385683.db2.gz DFFJTFNDBZECTP-ZDUSSCGKSA-N -1 3 384.863 3.972 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc2c(c1)CCCO2 ZINC001470352894 1068694653 /nfs/dbraw/zinc/69/46/53/1068694653.db2.gz JTBARYURKFCTPD-LLVKDONJSA-N -1 3 384.382 3.622 20 0 GHADHM CC1(C)CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@@](C)(C(F)(F)F)O1 ZINC001460156206 1068820124 /nfs/dbraw/zinc/82/01/24/1068820124.db2.gz AJENKGNCYDKRFM-SFHVURJKSA-N -1 3 381.398 3.781 20 0 GHADHM COc1ccc([C@@H]2CCN(C3CCCC3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358087 1068939925 /nfs/dbraw/zinc/93/99/25/1068939925.db2.gz BPNITRDHFXQOPI-HOCLYGCPSA-N -1 3 388.405 3.613 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001470496025 1072591324 /nfs/dbraw/zinc/59/13/24/1072591324.db2.gz BKSGTNZPKIPUHQ-RNODOKPDSA-N -1 3 392.521 3.634 20 0 GHADHM CC1(C)CC[C@H]1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478609841 1078933451 /nfs/dbraw/zinc/93/34/51/1078933451.db2.gz HBOJSQOBKJOKEM-IUODEOHRSA-N -1 3 383.414 3.557 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1F ZINC001470794177 1072742815 /nfs/dbraw/zinc/74/28/15/1072742815.db2.gz ASQUFPWDUSVMAN-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1F ZINC001470794177 1072742818 /nfs/dbraw/zinc/74/28/18/1072742818.db2.gz ASQUFPWDUSVMAN-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001470795485 1072743782 /nfs/dbraw/zinc/74/37/82/1072743782.db2.gz QJTDQEXOWNJQKH-URLYPYJESA-N -1 3 378.274 3.640 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001470795485 1072743788 /nfs/dbraw/zinc/74/37/88/1072743788.db2.gz QJTDQEXOWNJQKH-URLYPYJESA-N -1 3 378.274 3.640 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1ccc(-c2cc[nH]n2)s1 ZINC001470985202 1072867788 /nfs/dbraw/zinc/86/77/88/1072867788.db2.gz FGSPICNBOUAQKY-UHFFFAOYSA-N -1 3 395.338 3.896 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(C)c1 ZINC001471678400 1073174920 /nfs/dbraw/zinc/17/49/20/1073174920.db2.gz YYLVGFVPJAZYGP-UHFFFAOYSA-N -1 3 393.487 3.880 20 0 GHADHM COc1cccc2[nH]cc(CCNC(=O)c3cc([O-])cc(Br)c3)c21 ZINC001471778536 1073216539 /nfs/dbraw/zinc/21/65/39/1073216539.db2.gz XCXBZRKTNFOUDM-UHFFFAOYSA-N -1 3 389.249 3.617 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CC3CCC(C(C)(C)C)CC3)C2)n1 ZINC001471857371 1073234235 /nfs/dbraw/zinc/23/42/35/1073234235.db2.gz WOYBUINILPPLBM-ABHNRTSZSA-N -1 3 388.556 3.818 20 0 GHADHM CCc1cccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC001471917775 1073258723 /nfs/dbraw/zinc/25/87/23/1073258723.db2.gz BGTKMZONEVZJGT-INIZCTEOSA-N -1 3 376.497 3.816 20 0 GHADHM C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)c3cc(CCc4ccccc4)ccc3[O-])O2)CO1 ZINC001471921152 1073261100 /nfs/dbraw/zinc/26/11/00/1073261100.db2.gz XAJYURBOBCDQCE-VWQFJMCTSA-N -1 3 395.499 3.634 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472109070 1073336290 /nfs/dbraw/zinc/33/62/90/1073336290.db2.gz GJPGCADFUIMZKV-NSHDSACASA-N -1 3 375.354 3.685 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001472228928 1073376709 /nfs/dbraw/zinc/37/67/09/1073376709.db2.gz ZQFIZVSSICCKIW-CYBMUJFWSA-N -1 3 387.432 3.718 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3OCCc4ccccc43)n[n-]2)cc1 ZINC001472357363 1073443033 /nfs/dbraw/zinc/44/30/33/1073443033.db2.gz JQJWERLVBSNEHF-QGZVFWFLSA-N -1 3 380.473 3.658 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC001472620943 1073581072 /nfs/dbraw/zinc/58/10/72/1073581072.db2.gz ZIZANCJNUBUFED-UHFFFAOYSA-N -1 3 385.460 3.705 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472623184 1073582250 /nfs/dbraw/zinc/58/22/50/1073582250.db2.gz SYQWEHPAHZJHLT-UHFFFAOYSA-N -1 3 376.343 3.754 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2Cl)CC1 ZINC001546226386 1079228746 /nfs/dbraw/zinc/22/87/46/1079228746.db2.gz NPLVBSACIKNBHW-UHFFFAOYSA-N -1 3 399.922 3.929 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1F ZINC001474819442 1074578113 /nfs/dbraw/zinc/57/81/13/1074578113.db2.gz LVKZYVBDFGSCHK-ZDUSSCGKSA-N -1 3 398.297 3.987 20 0 GHADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001474864268 1074599395 /nfs/dbraw/zinc/59/93/95/1074599395.db2.gz QSQLMKJFYQETKT-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC001474877684 1074607961 /nfs/dbraw/zinc/60/79/61/1074607961.db2.gz OBFDNNDZTVBUJG-CJNGLKHVSA-N -1 3 382.888 3.593 20 0 GHADHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001474915529 1074630529 /nfs/dbraw/zinc/63/05/29/1074630529.db2.gz BGJUOTFRUWIVQH-UHFFFAOYSA-N -1 3 395.937 3.909 20 0 GHADHM C[C@@H]1CC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@@H](C)C1 ZINC001474990411 1074672161 /nfs/dbraw/zinc/67/21/61/1074672161.db2.gz RXQSYYXRRUCNMN-IUCAKERBSA-N -1 3 381.723 3.601 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1Cl ZINC001475013353 1074683732 /nfs/dbraw/zinc/68/37/32/1074683732.db2.gz UZZYOWDLORXENA-QGZVFWFLSA-N -1 3 394.905 3.873 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CC1)CO2 ZINC001475076665 1074726135 /nfs/dbraw/zinc/72/61/35/1074726135.db2.gz DKBCJBFOORZGBW-INIZCTEOSA-N -1 3 393.892 3.849 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C(C)C)n2)cc1F ZINC001475095839 1074734632 /nfs/dbraw/zinc/73/46/32/1074734632.db2.gz PMKGZNGTVNWIMD-CYBMUJFWSA-N -1 3 383.489 3.847 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC(C)(C)C1 ZINC001475145358 1074756740 /nfs/dbraw/zinc/75/67/40/1074756740.db2.gz KLLMXDQHDKLZFJ-QHCPKHFHSA-N -1 3 378.604 3.856 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(Cl)s1 ZINC001475154670 1074760846 /nfs/dbraw/zinc/76/08/46/1074760846.db2.gz APHIFSFOACEWLS-SECBINFHSA-N -1 3 395.308 3.751 20 0 GHADHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC(C)(C)C(C)C ZINC001475177303 1074771265 /nfs/dbraw/zinc/77/12/65/1074771265.db2.gz ZMGCVBBUCPNHSX-IEBWSBKVSA-N -1 3 395.565 3.640 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccc2ncsc2c1 ZINC001475215246 1074789661 /nfs/dbraw/zinc/78/96/61/1074789661.db2.gz VNBAKDSRMLJRCR-QMMMGPOBSA-N -1 3 387.280 3.691 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)C ZINC001475369961 1074851731 /nfs/dbraw/zinc/85/17/31/1074851731.db2.gz WNUOFCZROSJVDV-SECBINFHSA-N -1 3 382.295 3.700 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c2ccco2)cc1 ZINC001475397968 1074860657 /nfs/dbraw/zinc/86/06/57/1074860657.db2.gz HIFRKFRWQFBNJS-GOSISDBHSA-N -1 3 397.374 3.773 20 0 GHADHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1(F)F ZINC001475525232 1074904570 /nfs/dbraw/zinc/90/45/70/1074904570.db2.gz MSJVLBGDTASIPM-SNVBAGLBSA-N -1 3 388.661 3.672 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CCCCC1 ZINC001475533387 1074906876 /nfs/dbraw/zinc/90/68/76/1074906876.db2.gz XRXXCOGSRNFGDX-QGZVFWFLSA-N -1 3 394.562 3.992 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2CC(F)(F)F)c1 ZINC001475553596 1074912746 /nfs/dbraw/zinc/91/27/46/1074912746.db2.gz SOYRYJHODZRLHY-UHFFFAOYSA-N -1 3 378.803 3.627 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(Br)c1 ZINC001475577290 1074918858 /nfs/dbraw/zinc/91/88/58/1074918858.db2.gz ZHYXJJGUXGYUGZ-YVNDNENWSA-N -1 3 396.734 3.501 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn(C)c3ncccc23)c1Cl ZINC001475596779 1074923749 /nfs/dbraw/zinc/92/37/49/1074923749.db2.gz BTHZFGBBSKGMQO-UHFFFAOYSA-N -1 3 398.315 3.710 20 0 GHADHM CSc1nc2ccc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2s1 ZINC001475950171 1075055683 /nfs/dbraw/zinc/05/56/83/1075055683.db2.gz CXNFNAJLZWJTMZ-UHFFFAOYSA-N -1 3 397.489 3.766 20 0 GHADHM CSc1nc2ccc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2s1 ZINC001475950171 1075055685 /nfs/dbraw/zinc/05/56/85/1075055685.db2.gz CXNFNAJLZWJTMZ-UHFFFAOYSA-N -1 3 397.489 3.766 20 0 GHADHM Cc1cccc(Oc2ncccc2NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1C ZINC001476010314 1075068353 /nfs/dbraw/zinc/06/83/53/1075068353.db2.gz KUIKGXJPHIDCKH-UHFFFAOYSA-N -1 3 397.460 3.597 20 0 GHADHM Cc1cc(C)c(CN[C@H](Cc2cncs2)C(=O)[O-])c(OCc2ccccc2)n1 ZINC001607619836 1126233987 /nfs/dbraw/zinc/23/39/87/1126233987.db2.gz IXBARBUVGIXVLO-LJQANCHMSA-N -1 3 397.500 3.519 20 0 GHADHM Fc1ccc(I)c(F)c1C[N-]c1nnc(C(F)F)o1 ZINC000479771696 564450478 /nfs/dbraw/zinc/45/04/78/564450478.db2.gz OTJMDTUATNYRMF-UHFFFAOYSA-N -1 3 387.074 3.502 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334682 598825013 /nfs/dbraw/zinc/82/50/13/598825013.db2.gz LOIQLHBCTRGFPD-GOSISDBHSA-N -1 3 393.516 3.501 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334682 598825015 /nfs/dbraw/zinc/82/50/15/598825015.db2.gz LOIQLHBCTRGFPD-GOSISDBHSA-N -1 3 393.516 3.501 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1cc(C)ccc1C ZINC000737326066 598826362 /nfs/dbraw/zinc/82/63/62/598826362.db2.gz KUFWVDJEWUMFQO-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1cc(C)ccc1C ZINC000737326066 598826364 /nfs/dbraw/zinc/82/63/64/598826364.db2.gz KUFWVDJEWUMFQO-UHFFFAOYSA-N -1 3 389.463 3.520 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685499 598848182 /nfs/dbraw/zinc/84/81/82/598848182.db2.gz MDXLSROIUOBXOZ-GOSISDBHSA-N -1 3 394.479 3.578 20 0 GHADHM Cc1nc(Cl)cc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000737481002 598854223 /nfs/dbraw/zinc/85/42/23/598854223.db2.gz UNUTYNXITIGKDY-UHFFFAOYSA-N -1 3 383.868 3.959 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc2sccc2s1 ZINC000736037360 598887383 /nfs/dbraw/zinc/88/73/83/598887383.db2.gz GFGUJOLVEMEJOS-JTQLQIEISA-N -1 3 386.458 3.767 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc2sccc2s1 ZINC000736037360 598887385 /nfs/dbraw/zinc/88/73/85/598887385.db2.gz GFGUJOLVEMEJOS-JTQLQIEISA-N -1 3 386.458 3.767 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000736038704 598888898 /nfs/dbraw/zinc/88/88/98/598888898.db2.gz WSDKVHUUPCSGEM-ZDUSSCGKSA-N -1 3 398.850 3.562 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000736038704 598888900 /nfs/dbraw/zinc/88/89/00/598888900.db2.gz WSDKVHUUPCSGEM-ZDUSSCGKSA-N -1 3 398.850 3.562 20 0 GHADHM CN(CC(C)(C)C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736788763 598890675 /nfs/dbraw/zinc/89/06/75/598890675.db2.gz OAPZAZRWVZTEHK-UHFFFAOYSA-N -1 3 384.509 3.783 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735811844 598901927 /nfs/dbraw/zinc/90/19/27/598901927.db2.gz XINOQRGIMANZRX-CQSZACIVSA-N -1 3 396.520 3.572 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735811844 598901929 /nfs/dbraw/zinc/90/19/29/598901929.db2.gz XINOQRGIMANZRX-CQSZACIVSA-N -1 3 396.520 3.572 20 0 GHADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736354219 598907496 /nfs/dbraw/zinc/90/74/96/598907496.db2.gz ZXIXYLOPHYGFLW-MFKMUULPSA-N -1 3 391.884 3.616 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736405537 598908104 /nfs/dbraw/zinc/90/81/04/598908104.db2.gz GOIBTCARNIMUFQ-LJQANCHMSA-N -1 3 393.516 3.636 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736405537 598908106 /nfs/dbraw/zinc/90/81/06/598908106.db2.gz GOIBTCARNIMUFQ-LJQANCHMSA-N -1 3 393.516 3.636 20 0 GHADHM Clc1ccc(OC[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737575372 598938270 /nfs/dbraw/zinc/93/82/70/598938270.db2.gz SESUUYZUPMEJSZ-CYBMUJFWSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccc(OC[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737575372 598938271 /nfs/dbraw/zinc/93/82/71/598938271.db2.gz SESUUYZUPMEJSZ-CYBMUJFWSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1cccc(OCc2cccnc2)c1 ZINC000737558032 598938847 /nfs/dbraw/zinc/93/88/47/598938847.db2.gz JCURPTLLBDFGMG-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1cccc(OCc2cccnc2)c1 ZINC000737558032 598938849 /nfs/dbraw/zinc/93/88/49/598938849.db2.gz JCURPTLLBDFGMG-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM CC[C@H](c1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)o1)c1ccccc1 ZINC000736396890 598941063 /nfs/dbraw/zinc/94/10/63/598941063.db2.gz PPNSJYHFZLYDTF-LBPRGKRZSA-N -1 3 399.867 3.991 20 0 GHADHM CC[C@H](c1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)o1)c1ccccc1 ZINC000736396890 598941067 /nfs/dbraw/zinc/94/10/67/598941067.db2.gz PPNSJYHFZLYDTF-LBPRGKRZSA-N -1 3 399.867 3.991 20 0 GHADHM Cc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737365447 598942770 /nfs/dbraw/zinc/94/27/70/598942770.db2.gz RNMFLFADOCLKJU-UHFFFAOYSA-N -1 3 386.839 3.983 20 0 GHADHM Cc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737365447 598942772 /nfs/dbraw/zinc/94/27/72/598942772.db2.gz RNMFLFADOCLKJU-UHFFFAOYSA-N -1 3 386.839 3.983 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000737931470 598946613 /nfs/dbraw/zinc/94/66/13/598946613.db2.gz HEQRYTRYHHKMHZ-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000737931470 598946615 /nfs/dbraw/zinc/94/66/15/598946615.db2.gz HEQRYTRYHHKMHZ-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM C[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736139241 598969035 /nfs/dbraw/zinc/96/90/35/598969035.db2.gz PPRZTPUPOKQFJV-VIFPVBQESA-N -1 3 391.826 3.513 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736829189 598977798 /nfs/dbraw/zinc/97/77/98/598977798.db2.gz ZVQQERXRGGNTIT-UHFFFAOYSA-N -1 3 399.454 3.718 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735702547 598986915 /nfs/dbraw/zinc/98/69/15/598986915.db2.gz PFGSITXHDARRGM-OAHLLOKOSA-N -1 3 379.464 3.562 20 0 GHADHM CCCN(CC(C)C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736471048 598989127 /nfs/dbraw/zinc/98/91/27/598989127.db2.gz RNOLPMLZUDUCFU-UHFFFAOYSA-N -1 3 393.491 3.954 20 0 GHADHM CCC[C@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736424802 598992710 /nfs/dbraw/zinc/99/27/10/598992710.db2.gz STYVLVROYRAXAD-HNNXBMFYSA-N -1 3 379.464 3.706 20 0 GHADHM CC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCCC1 ZINC000736221795 599002944 /nfs/dbraw/zinc/00/29/44/599002944.db2.gz ARXDBLWLHANTOK-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CC1(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCCC1 ZINC000736221795 599002946 /nfs/dbraw/zinc/00/29/46/599002946.db2.gz ARXDBLWLHANTOK-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736227538 599021825 /nfs/dbraw/zinc/02/18/25/599021825.db2.gz LHHBMRDIOQEXBX-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736227538 599021828 /nfs/dbraw/zinc/02/18/28/599021828.db2.gz LHHBMRDIOQEXBX-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM CCOc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736638352 599040955 /nfs/dbraw/zinc/04/09/55/599040955.db2.gz WSEFWIVLLZEQNU-JTQLQIEISA-N -1 3 378.358 3.852 20 0 GHADHM CCOc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736638352 599040958 /nfs/dbraw/zinc/04/09/58/599040958.db2.gz WSEFWIVLLZEQNU-JTQLQIEISA-N -1 3 378.358 3.852 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CC3 ZINC000737372573 599041968 /nfs/dbraw/zinc/04/19/68/599041968.db2.gz GSZHRVRFZGKUND-UHFFFAOYSA-N -1 3 399.380 3.633 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CC3 ZINC000737372573 599041971 /nfs/dbraw/zinc/04/19/71/599041971.db2.gz GSZHRVRFZGKUND-UHFFFAOYSA-N -1 3 399.380 3.633 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cc(-c3ccccc3)no2)n1 ZINC000737635613 599045118 /nfs/dbraw/zinc/04/51/18/599045118.db2.gz JJHOFIDWVIDXQS-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cc(-c3ccccc3)no2)n1 ZINC000737635613 599045120 /nfs/dbraw/zinc/04/51/20/599045120.db2.gz JJHOFIDWVIDXQS-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM CC(C)Oc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735913076 599045714 /nfs/dbraw/zinc/04/57/14/599045714.db2.gz FGZOKVJZUYWCQN-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735913076 599045716 /nfs/dbraw/zinc/04/57/16/599045716.db2.gz FGZOKVJZUYWCQN-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737115382 599049856 /nfs/dbraw/zinc/04/98/56/599049856.db2.gz PFZGLNDLLGVCQS-AWEZNQCLSA-N -1 3 390.369 3.779 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737115382 599049859 /nfs/dbraw/zinc/04/98/59/599049859.db2.gz PFZGLNDLLGVCQS-AWEZNQCLSA-N -1 3 390.369 3.779 20 0 GHADHM Cc1ccnc(Oc2cc(Nc3nnc(C)c(C)c3-c3nnn[n-]3)ccc2C)c1 ZINC000822379413 599060529 /nfs/dbraw/zinc/06/05/29/599060529.db2.gz NYXFSDPXVJQQBV-UHFFFAOYSA-N -1 3 388.435 3.821 20 0 GHADHM Cc1ccnc(Oc2cc(Nc3nnc(C)c(C)c3-c3nn[n-]n3)ccc2C)c1 ZINC000822379413 599060532 /nfs/dbraw/zinc/06/05/32/599060532.db2.gz NYXFSDPXVJQQBV-UHFFFAOYSA-N -1 3 388.435 3.821 20 0 GHADHM CS[C@@H]1CC[C@@H](Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC000821950679 599072679 /nfs/dbraw/zinc/07/26/79/599072679.db2.gz POZISTNMRVVYMO-CHWSQXEVSA-N -1 3 379.493 3.672 20 0 GHADHM CS[C@@H]1CC[C@@H](Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC000821950679 599072683 /nfs/dbraw/zinc/07/26/83/599072683.db2.gz POZISTNMRVVYMO-CHWSQXEVSA-N -1 3 379.493 3.672 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738138983 599074089 /nfs/dbraw/zinc/07/40/89/599074089.db2.gz JMTLXCKOTCGBRX-QWHCGFSZSA-N -1 3 377.395 3.623 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738138983 599074093 /nfs/dbraw/zinc/07/40/93/599074093.db2.gz JMTLXCKOTCGBRX-QWHCGFSZSA-N -1 3 377.395 3.623 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736361064 599077441 /nfs/dbraw/zinc/07/74/41/599077441.db2.gz DUPWUCCDPFGBGM-GOSISDBHSA-N -1 3 395.532 3.831 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736361064 599077443 /nfs/dbraw/zinc/07/74/43/599077443.db2.gz DUPWUCCDPFGBGM-GOSISDBHSA-N -1 3 395.532 3.831 20 0 GHADHM CC(C)C[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000735781213 599079469 /nfs/dbraw/zinc/07/94/69/599079469.db2.gz DPFLWLPASBUDCB-KRWDZBQOSA-N -1 3 399.882 3.803 20 0 GHADHM CC(C)C[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000735781213 599079471 /nfs/dbraw/zinc/07/94/71/599079471.db2.gz DPFLWLPASBUDCB-KRWDZBQOSA-N -1 3 399.882 3.803 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737833497 599096570 /nfs/dbraw/zinc/09/65/70/599096570.db2.gz UJSZDFBANQPNMT-RTBURBONSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737833497 599096574 /nfs/dbraw/zinc/09/65/74/599096574.db2.gz UJSZDFBANQPNMT-RTBURBONSA-N -1 3 383.496 3.501 20 0 GHADHM C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)(C)C ZINC000736017955 599101272 /nfs/dbraw/zinc/10/12/72/599101272.db2.gz SQKAQXTWJCARDT-LBPRGKRZSA-N -1 3 399.524 3.718 20 0 GHADHM C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)(C)C ZINC000736017955 599101273 /nfs/dbraw/zinc/10/12/73/599101273.db2.gz SQKAQXTWJCARDT-LBPRGKRZSA-N -1 3 399.524 3.718 20 0 GHADHM COC(=O)[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(Cl)cc1Cl ZINC000821650158 599125289 /nfs/dbraw/zinc/12/52/89/599125289.db2.gz LOJNLEJVYHYTNQ-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM COC(=O)[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(Cl)cc1Cl ZINC000821650158 599125291 /nfs/dbraw/zinc/12/52/91/599125291.db2.gz LOJNLEJVYHYTNQ-CYBMUJFWSA-N -1 3 396.259 3.575 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CS[C@@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000822015475 599130610 /nfs/dbraw/zinc/13/06/10/599130610.db2.gz KHKCSBFXDWVBMI-HNNXBMFYSA-N -1 3 398.536 3.990 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CS[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000822015475 599130615 /nfs/dbraw/zinc/13/06/15/599130615.db2.gz KHKCSBFXDWVBMI-HNNXBMFYSA-N -1 3 398.536 3.990 20 0 GHADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)ccc1Cl ZINC000737002239 599133554 /nfs/dbraw/zinc/13/35/54/599133554.db2.gz MONXMTBIVYMDFR-UHFFFAOYSA-N -1 3 392.290 3.822 20 0 GHADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)ccc1Cl ZINC000737002239 599133555 /nfs/dbraw/zinc/13/35/55/599133555.db2.gz MONXMTBIVYMDFR-UHFFFAOYSA-N -1 3 392.290 3.822 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000819868006 599149751 /nfs/dbraw/zinc/14/97/51/599149751.db2.gz XHZZNBZKEXNWLB-SSDOTTSWSA-N -1 3 396.245 3.572 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000819868006 599149754 /nfs/dbraw/zinc/14/97/54/599149754.db2.gz XHZZNBZKEXNWLB-SSDOTTSWSA-N -1 3 396.245 3.572 20 0 GHADHM Brc1ccccc1-c1cnc(COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000735368221 599156505 /nfs/dbraw/zinc/15/65/05/599156505.db2.gz IEWHCQUNHCQKJI-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccccc1-c1cnc(COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000735368221 599156507 /nfs/dbraw/zinc/15/65/07/599156507.db2.gz IEWHCQUNHCQKJI-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736353178 599158002 /nfs/dbraw/zinc/15/80/02/599158002.db2.gz NZLBIKYRQFCKBR-AWEZNQCLSA-N -1 3 386.912 3.828 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736353178 599158004 /nfs/dbraw/zinc/15/80/04/599158004.db2.gz NZLBIKYRQFCKBR-AWEZNQCLSA-N -1 3 386.912 3.828 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820870814 599160163 /nfs/dbraw/zinc/16/01/63/599160163.db2.gz ZZGYWCFPZQSXBG-ZIAGYGMSSA-N -1 3 380.452 3.609 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820870814 599160164 /nfs/dbraw/zinc/16/01/64/599160164.db2.gz ZZGYWCFPZQSXBG-ZIAGYGMSSA-N -1 3 380.452 3.609 20 0 GHADHM Cc1ccc([C@@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737333291 599167571 /nfs/dbraw/zinc/16/75/71/599167571.db2.gz SRROKBQOVDTPML-VYENPZKTSA-N -1 3 391.500 3.505 20 0 GHADHM Cc1ccc([C@@H]2CSCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737333291 599167573 /nfs/dbraw/zinc/16/75/73/599167573.db2.gz SRROKBQOVDTPML-VYENPZKTSA-N -1 3 391.500 3.505 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2cccc(F)c2)CCCCC1 ZINC000823235747 599169870 /nfs/dbraw/zinc/16/98/70/599169870.db2.gz XHCBDOWBXPOCGV-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2cccc(F)c2)CCCCC1 ZINC000823235747 599169871 /nfs/dbraw/zinc/16/98/71/599169871.db2.gz XHCBDOWBXPOCGV-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000823233345 599177228 /nfs/dbraw/zinc/17/72/28/599177228.db2.gz GHGXVRNOSYXTKZ-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000823233345 599177230 /nfs/dbraw/zinc/17/72/30/599177230.db2.gz GHGXVRNOSYXTKZ-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208075 599181474 /nfs/dbraw/zinc/18/14/74/599181474.db2.gz JYOPSKOYHDRZTB-VXGBXAGGSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738208075 599181476 /nfs/dbraw/zinc/18/14/76/599181476.db2.gz JYOPSKOYHDRZTB-VXGBXAGGSA-N -1 3 380.260 3.977 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(OCC=C(C)C)c1 ZINC000736635442 599184894 /nfs/dbraw/zinc/18/48/94/599184894.db2.gz UJFQGAOFCMWCDW-UHFFFAOYSA-N -1 3 393.447 3.863 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OCC=C(C)C)c1 ZINC000736635442 599184896 /nfs/dbraw/zinc/18/48/96/599184896.db2.gz UJFQGAOFCMWCDW-UHFFFAOYSA-N -1 3 393.447 3.863 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCCCC1 ZINC000736222816 599187203 /nfs/dbraw/zinc/18/72/03/599187203.db2.gz KUFKHFJNPDRDHK-UHFFFAOYSA-N -1 3 393.451 3.898 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCCCC1 ZINC000736222816 599187205 /nfs/dbraw/zinc/18/72/05/599187205.db2.gz KUFKHFJNPDRDHK-UHFFFAOYSA-N -1 3 393.451 3.898 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823478608 599192193 /nfs/dbraw/zinc/19/21/93/599192193.db2.gz NABQKNXJZMRIGQ-OAQYLSRUSA-N -1 3 381.439 3.807 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823478608 599192195 /nfs/dbraw/zinc/19/21/95/599192195.db2.gz NABQKNXJZMRIGQ-OAQYLSRUSA-N -1 3 381.439 3.807 20 0 GHADHM CCc1cnc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000821499475 599195500 /nfs/dbraw/zinc/19/55/00/599195500.db2.gz LQDZRKDCJUELPN-UHFFFAOYSA-N -1 3 391.460 3.882 20 0 GHADHM O=C(NCc1ccoc1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738123967 599196118 /nfs/dbraw/zinc/19/61/18/599196118.db2.gz GLQORXJAQOLEEO-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819965614 599194546 /nfs/dbraw/zinc/19/45/46/599194546.db2.gz JXCMTTVOVISPLB-HNNXBMFYSA-N -1 3 396.520 3.988 20 0 GHADHM CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819965614 599194549 /nfs/dbraw/zinc/19/45/49/599194549.db2.gz JXCMTTVOVISPLB-HNNXBMFYSA-N -1 3 396.520 3.988 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000736121934 599194787 /nfs/dbraw/zinc/19/47/87/599194787.db2.gz GHIBVIAMXKXYGA-LLVKDONJSA-N -1 3 383.839 3.841 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)C1 ZINC000736275375 599199286 /nfs/dbraw/zinc/19/92/86/599199286.db2.gz CBHKWIANSHHXOE-LBPRGKRZSA-N -1 3 383.839 3.794 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)C1 ZINC000736275375 599199287 /nfs/dbraw/zinc/19/92/87/599199287.db2.gz CBHKWIANSHHXOE-LBPRGKRZSA-N -1 3 383.839 3.794 20 0 GHADHM COCCN(C(=O)C[C@H](c1ccccc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988803 599205850 /nfs/dbraw/zinc/20/58/50/599205850.db2.gz ORQZBBBDDDCYTB-FQEVSTJZSA-N -1 3 393.491 3.676 20 0 GHADHM COCCN(C(=O)C[C@H](c1ccccc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988803 599205851 /nfs/dbraw/zinc/20/58/51/599205851.db2.gz ORQZBBBDDDCYTB-FQEVSTJZSA-N -1 3 393.491 3.676 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737215476 599208986 /nfs/dbraw/zinc/20/89/86/599208986.db2.gz IUNOBKSDOPHMMT-UHFFFAOYSA-N -1 3 397.504 3.834 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820020287 599210675 /nfs/dbraw/zinc/21/06/75/599210675.db2.gz DDIVXEJHKCZQDK-IMTHGLKYSA-N -1 3 393.466 3.745 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820020287 599210677 /nfs/dbraw/zinc/21/06/77/599210677.db2.gz DDIVXEJHKCZQDK-IMTHGLKYSA-N -1 3 393.466 3.745 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822553787 599221702 /nfs/dbraw/zinc/22/17/02/599221702.db2.gz QWRWVXBTIWRDPS-UHFFFAOYSA-N -1 3 379.351 3.952 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822553787 599221704 /nfs/dbraw/zinc/22/17/04/599221704.db2.gz QWRWVXBTIWRDPS-UHFFFAOYSA-N -1 3 379.351 3.952 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232830 599221811 /nfs/dbraw/zinc/22/18/11/599221811.db2.gz BUCCHIIVWPRPJQ-GUYCJALGSA-N -1 3 397.504 3.860 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232830 599221812 /nfs/dbraw/zinc/22/18/12/599221812.db2.gz BUCCHIIVWPRPJQ-GUYCJALGSA-N -1 3 397.504 3.860 20 0 GHADHM CCCC[C@H](CC)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736439359 599224799 /nfs/dbraw/zinc/22/47/99/599224799.db2.gz PIJCCCBFVSYGEK-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM CCCC[C@H](CC)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736439359 599224802 /nfs/dbraw/zinc/22/48/02/599224802.db2.gz PIJCCCBFVSYGEK-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000737956225 599228033 /nfs/dbraw/zinc/22/80/33/599228033.db2.gz XXMOEKQHPZKPJZ-FLIBITNWSA-N -1 3 388.456 3.675 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000737956225 599228034 /nfs/dbraw/zinc/22/80/34/599228034.db2.gz XXMOEKQHPZKPJZ-FLIBITNWSA-N -1 3 388.456 3.675 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000736402833 599228867 /nfs/dbraw/zinc/22/88/67/599228867.db2.gz OUHCPNYPNFWAFP-LBPRGKRZSA-N -1 3 386.525 3.513 20 0 GHADHM CCCCCC[C@@H](C)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736448198 599238706 /nfs/dbraw/zinc/23/87/06/599238706.db2.gz VKNYLVPNJSOCER-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCCC[C@@H](C)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736448198 599238708 /nfs/dbraw/zinc/23/87/08/599238708.db2.gz VKNYLVPNJSOCER-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CC(C)C1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000735747424 599245891 /nfs/dbraw/zinc/24/58/91/599245891.db2.gz DWCGRQIWWSGVNE-UHFFFAOYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)C1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000735747424 599245893 /nfs/dbraw/zinc/24/58/93/599245893.db2.gz DWCGRQIWWSGVNE-UHFFFAOYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000735904618 599247771 /nfs/dbraw/zinc/24/77/71/599247771.db2.gz SNEZNLWXPJQSEA-AWEZNQCLSA-N -1 3 393.447 3.549 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000735904618 599247773 /nfs/dbraw/zinc/24/77/73/599247773.db2.gz SNEZNLWXPJQSEA-AWEZNQCLSA-N -1 3 393.447 3.549 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821717492 599247980 /nfs/dbraw/zinc/24/79/80/599247980.db2.gz OZKPGZBFAPBCDI-NSHDSACASA-N -1 3 386.843 3.720 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821717492 599247982 /nfs/dbraw/zinc/24/79/82/599247982.db2.gz OZKPGZBFAPBCDI-NSHDSACASA-N -1 3 386.843 3.720 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000820269051 599248888 /nfs/dbraw/zinc/24/88/88/599248888.db2.gz GPWHXDSVSBKFHH-SECBINFHSA-N -1 3 392.797 3.724 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000820269051 599248889 /nfs/dbraw/zinc/24/88/89/599248889.db2.gz GPWHXDSVSBKFHH-SECBINFHSA-N -1 3 392.797 3.724 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822085353 607280782 /nfs/dbraw/zinc/28/07/82/607280782.db2.gz YKSIUKFRUWRUHS-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822085353 607280783 /nfs/dbraw/zinc/28/07/83/607280783.db2.gz YKSIUKFRUWRUHS-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C(F)(F)F ZINC000822248894 599253249 /nfs/dbraw/zinc/25/32/49/599253249.db2.gz SHVAQECLIHPEDH-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C(F)(F)F ZINC000822248894 599253251 /nfs/dbraw/zinc/25/32/51/599253251.db2.gz SHVAQECLIHPEDH-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cc(Cl)cc2cccnc21 ZINC000823238039 599253487 /nfs/dbraw/zinc/25/34/87/599253487.db2.gz HIURWMRSHFDRBI-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cc(Cl)cc2cccnc21 ZINC000823238039 599253490 /nfs/dbraw/zinc/25/34/90/599253490.db2.gz HIURWMRSHFDRBI-UHFFFAOYSA-N -1 3 397.801 3.529 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822084357 607288362 /nfs/dbraw/zinc/28/83/62/607288362.db2.gz KFNROTBAHXPEGV-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822084357 607288363 /nfs/dbraw/zinc/28/83/63/607288363.db2.gz KFNROTBAHXPEGV-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM COc1ccc2ccccc2c1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821854506 607288710 /nfs/dbraw/zinc/28/87/10/607288710.db2.gz LDKKENXDKRLJDH-UHFFFAOYSA-N -1 3 388.431 3.659 20 0 GHADHM COc1ccc2ccccc2c1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821854506 607288711 /nfs/dbraw/zinc/28/87/11/607288711.db2.gz LDKKENXDKRLJDH-UHFFFAOYSA-N -1 3 388.431 3.659 20 0 GHADHM CC(C)COc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820103289 599256699 /nfs/dbraw/zinc/25/66/99/599256699.db2.gz SRCYHRJZCVVWQH-CQSZACIVSA-N -1 3 380.452 3.784 20 0 GHADHM CC(C)COc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820103289 599256701 /nfs/dbraw/zinc/25/67/01/599256701.db2.gz SRCYHRJZCVVWQH-CQSZACIVSA-N -1 3 380.452 3.784 20 0 GHADHM CCCCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077587 599257861 /nfs/dbraw/zinc/25/78/61/599257861.db2.gz MLUCASMILRSJDJ-AWEZNQCLSA-N -1 3 380.452 3.928 20 0 GHADHM CCCCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077587 599257863 /nfs/dbraw/zinc/25/78/63/599257863.db2.gz MLUCASMILRSJDJ-AWEZNQCLSA-N -1 3 380.452 3.928 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(COC(C)(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822104920 607287027 /nfs/dbraw/zinc/28/70/27/607287027.db2.gz SDTUIVAFBDWYJT-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(COC(C)(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822104920 607287028 /nfs/dbraw/zinc/28/70/28/607287028.db2.gz SDTUIVAFBDWYJT-UHFFFAOYSA-N -1 3 394.479 3.812 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822233743 607294257 /nfs/dbraw/zinc/29/42/57/607294257.db2.gz UKOVLHVGWJLLBA-PKOBYXMFSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822233743 607294258 /nfs/dbraw/zinc/29/42/58/607294258.db2.gz UKOVLHVGWJLLBA-PKOBYXMFSA-N -1 3 377.448 3.590 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1OC1CCCC1 ZINC000822935843 607294557 /nfs/dbraw/zinc/29/45/57/607294557.db2.gz OWWHQPAPFNYVOE-XFXZXTDPSA-N -1 3 393.422 3.979 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1OC1CCCC1 ZINC000822935843 607294558 /nfs/dbraw/zinc/29/45/58/607294558.db2.gz OWWHQPAPFNYVOE-XFXZXTDPSA-N -1 3 393.422 3.979 20 0 GHADHM Cc1[nH]c(=O)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1-c1ccccc1 ZINC000822010049 607297222 /nfs/dbraw/zinc/29/72/22/607297222.db2.gz LHQHCSYEYMRPDU-UHFFFAOYSA-N -1 3 386.415 3.503 20 0 GHADHM Cc1[nH]c(=O)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1-c1ccccc1 ZINC000822010049 607297223 /nfs/dbraw/zinc/29/72/23/607297223.db2.gz LHQHCSYEYMRPDU-UHFFFAOYSA-N -1 3 386.415 3.503 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823257352 607297742 /nfs/dbraw/zinc/29/77/42/607297742.db2.gz JKJCCCSYXAXXOJ-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823257352 607297743 /nfs/dbraw/zinc/29/77/43/607297743.db2.gz JKJCCCSYXAXXOJ-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819907014 607298636 /nfs/dbraw/zinc/29/86/36/607298636.db2.gz KQDDUMYPHYKBFX-HNNXBMFYSA-N -1 3 384.871 3.822 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819907014 607298637 /nfs/dbraw/zinc/29/86/37/607298637.db2.gz KQDDUMYPHYKBFX-HNNXBMFYSA-N -1 3 384.871 3.822 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822227830 599261065 /nfs/dbraw/zinc/26/10/65/599261065.db2.gz XBPPSIJZJIYORK-MRXNPFEDSA-N -1 3 392.507 3.855 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822227830 599261067 /nfs/dbraw/zinc/26/10/67/599261067.db2.gz XBPPSIJZJIYORK-MRXNPFEDSA-N -1 3 392.507 3.855 20 0 GHADHM CN(CCOc1ccccc1Cl)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736803704 599261091 /nfs/dbraw/zinc/26/10/91/599261091.db2.gz ABEHHULZTNCNLI-UHFFFAOYSA-N -1 3 380.839 3.584 20 0 GHADHM CN(CCOc1ccccc1Cl)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736803704 599261092 /nfs/dbraw/zinc/26/10/92/599261092.db2.gz ABEHHULZTNCNLI-UHFFFAOYSA-N -1 3 380.839 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(N2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380241 599263761 /nfs/dbraw/zinc/26/37/61/599263761.db2.gz OAHJGUAUKHQCGB-OAHLLOKOSA-N -1 3 391.479 3.740 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380241 599263763 /nfs/dbraw/zinc/26/37/63/599263763.db2.gz OAHJGUAUKHQCGB-OAHLLOKOSA-N -1 3 391.479 3.740 20 0 GHADHM COc1ccc(CNc2ccc3oc(C(C)(C)C)nc3c2)cc1-c1nnn[n-]1 ZINC000821821768 607310088 /nfs/dbraw/zinc/31/00/88/607310088.db2.gz VVAOSZPJHDKWMU-UHFFFAOYSA-N -1 3 378.436 3.926 20 0 GHADHM COc1ccc(CNc2ccc3oc(C(C)(C)C)nc3c2)cc1-c1nn[n-]n1 ZINC000821821768 607310089 /nfs/dbraw/zinc/31/00/89/607310089.db2.gz VVAOSZPJHDKWMU-UHFFFAOYSA-N -1 3 378.436 3.926 20 0 GHADHM COc1ccc(CNc2cc(NC(=O)C(C)(C)C)ccc2C)cc1-c1nnn[n-]1 ZINC000821821483 607317104 /nfs/dbraw/zinc/31/71/04/607317104.db2.gz HWTRNRSSHAXLCK-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1ccc(CNc2cc(NC(=O)C(C)(C)C)ccc2C)cc1-c1nn[n-]n1 ZINC000821821483 607317105 /nfs/dbraw/zinc/31/71/05/607317105.db2.gz HWTRNRSSHAXLCK-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821034658 599277245 /nfs/dbraw/zinc/27/72/45/599277245.db2.gz QTDRBVOAISFAHQ-FZMZJTMJSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821034658 599277246 /nfs/dbraw/zinc/27/72/46/599277246.db2.gz QTDRBVOAISFAHQ-FZMZJTMJSA-N -1 3 394.426 3.901 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@@H]1c1ccco1 ZINC000823303595 599292542 /nfs/dbraw/zinc/29/25/42/599292542.db2.gz NZVXRZOKGBKEIM-CYBMUJFWSA-N -1 3 392.341 3.848 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@@H]1c1ccco1 ZINC000823303595 599292544 /nfs/dbraw/zinc/29/25/44/599292544.db2.gz NZVXRZOKGBKEIM-CYBMUJFWSA-N -1 3 392.341 3.848 20 0 GHADHM COC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683448 607326175 /nfs/dbraw/zinc/32/61/75/607326175.db2.gz AWRUARNFXZBPKZ-AWEZNQCLSA-N -1 3 399.323 3.963 20 0 GHADHM COC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683448 607326176 /nfs/dbraw/zinc/32/61/76/607326176.db2.gz AWRUARNFXZBPKZ-AWEZNQCLSA-N -1 3 399.323 3.963 20 0 GHADHM COC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642403 607346292 /nfs/dbraw/zinc/34/62/92/607346292.db2.gz IQLMEUYDZGSJFR-ROUUACIJSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642403 607346293 /nfs/dbraw/zinc/34/62/93/607346293.db2.gz IQLMEUYDZGSJFR-ROUUACIJSA-N -1 3 399.882 3.721 20 0 GHADHM C[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)(C)C ZINC000735974155 598237942 /nfs/dbraw/zinc/23/79/42/598237942.db2.gz JQCZDVAZXRFBGO-HNNXBMFYSA-N -1 3 385.512 3.699 20 0 GHADHM C[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)CC(C)(C)C ZINC000735974155 598237944 /nfs/dbraw/zinc/23/79/44/598237944.db2.gz JQCZDVAZXRFBGO-HNNXBMFYSA-N -1 3 385.512 3.699 20 0 GHADHM Cc1cc(C)cc(CCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822196597 607348099 /nfs/dbraw/zinc/34/80/99/607348099.db2.gz PLDYKKGRBULSHL-UHFFFAOYSA-N -1 3 375.476 3.607 20 0 GHADHM Cc1cc(C)cc(CCC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822196597 607348102 /nfs/dbraw/zinc/34/81/02/607348102.db2.gz PLDYKKGRBULSHL-UHFFFAOYSA-N -1 3 375.476 3.607 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736196001 598250234 /nfs/dbraw/zinc/25/02/34/598250234.db2.gz IQWWVEWIBFLNEN-CYBMUJFWSA-N -1 3 385.418 3.749 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735639164 598253424 /nfs/dbraw/zinc/25/34/24/598253424.db2.gz CNYAMHJSURFHLI-UHFFFAOYSA-N -1 3 395.423 3.858 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735639164 598253425 /nfs/dbraw/zinc/25/34/25/598253425.db2.gz CNYAMHJSURFHLI-UHFFFAOYSA-N -1 3 395.423 3.858 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736201908 598255704 /nfs/dbraw/zinc/25/57/04/598255704.db2.gz YIUDCIIUKVKNNE-ZDUSSCGKSA-N -1 3 386.862 3.542 20 0 GHADHM CC(C)(C)c1csc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000735656587 598263155 /nfs/dbraw/zinc/26/31/55/598263155.db2.gz JTVMYUYDQPXNIT-UHFFFAOYSA-N -1 3 391.888 3.596 20 0 GHADHM CC(C)(C)c1csc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000735656587 598263158 /nfs/dbraw/zinc/26/31/58/598263158.db2.gz JTVMYUYDQPXNIT-UHFFFAOYSA-N -1 3 391.888 3.596 20 0 GHADHM CCC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccn1 ZINC000736431646 598263844 /nfs/dbraw/zinc/26/38/44/598263844.db2.gz PVXULRMRKQXOOF-INIZCTEOSA-N -1 3 395.467 3.712 20 0 GHADHM CCC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccn1 ZINC000736431646 598263846 /nfs/dbraw/zinc/26/38/46/598263846.db2.gz PVXULRMRKQXOOF-INIZCTEOSA-N -1 3 395.467 3.712 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737291500 598265986 /nfs/dbraw/zinc/26/59/86/598265986.db2.gz NIDCWADMQFLXDS-GOSISDBHSA-N -1 3 380.427 3.977 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737291500 598265987 /nfs/dbraw/zinc/26/59/87/598265987.db2.gz NIDCWADMQFLXDS-GOSISDBHSA-N -1 3 380.427 3.977 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000735874897 598266588 /nfs/dbraw/zinc/26/65/88/598266588.db2.gz VWNCDNPUPJMCKL-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000735874897 598266589 /nfs/dbraw/zinc/26/65/89/598266589.db2.gz VWNCDNPUPJMCKL-UHFFFAOYSA-N -1 3 390.369 3.727 20 0 GHADHM O=C(NCCc1ccco1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738087268 598268043 /nfs/dbraw/zinc/26/80/43/598268043.db2.gz CNVFGHNVGAOHEC-UHFFFAOYSA-N -1 3 390.403 3.616 20 0 GHADHM O=C(NCCc1ccco1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738087268 598268044 /nfs/dbraw/zinc/26/80/44/598268044.db2.gz CNVFGHNVGAOHEC-UHFFFAOYSA-N -1 3 390.403 3.616 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110653 598268111 /nfs/dbraw/zinc/26/81/11/598268111.db2.gz IZLANERBZSMGCJ-AWEZNQCLSA-N -1 3 380.452 3.675 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110653 598268113 /nfs/dbraw/zinc/26/81/13/598268113.db2.gz IZLANERBZSMGCJ-AWEZNQCLSA-N -1 3 380.452 3.675 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000736480240 598273169 /nfs/dbraw/zinc/27/31/69/598273169.db2.gz MLOPXIKUSQURAT-INIZCTEOSA-N -1 3 399.524 3.705 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000736480240 598273170 /nfs/dbraw/zinc/27/31/70/598273170.db2.gz MLOPXIKUSQURAT-INIZCTEOSA-N -1 3 399.524 3.705 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000735660230 598278571 /nfs/dbraw/zinc/27/85/71/598278571.db2.gz JYWDLCGJCCPQIJ-MRXNPFEDSA-N -1 3 397.458 3.931 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000735660230 598278572 /nfs/dbraw/zinc/27/85/72/598278572.db2.gz JYWDLCGJCCPQIJ-MRXNPFEDSA-N -1 3 397.458 3.931 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)sc2n1 ZINC000737248447 598282027 /nfs/dbraw/zinc/28/20/27/598282027.db2.gz FBHMTSFNKLJYNH-UHFFFAOYSA-N -1 3 382.424 3.509 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)sc2n1 ZINC000737248447 598282028 /nfs/dbraw/zinc/28/20/28/598282028.db2.gz FBHMTSFNKLJYNH-UHFFFAOYSA-N -1 3 382.424 3.509 20 0 GHADHM O=C(CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)Nc1ccccc1 ZINC000737898290 598283565 /nfs/dbraw/zinc/28/35/65/598283565.db2.gz HPOGRPGPTCOFIM-UHFFFAOYSA-N -1 3 386.415 3.710 20 0 GHADHM O=C(CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)Nc1ccccc1 ZINC000737898290 598283567 /nfs/dbraw/zinc/28/35/67/598283567.db2.gz HPOGRPGPTCOFIM-UHFFFAOYSA-N -1 3 386.415 3.710 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737414909 598284448 /nfs/dbraw/zinc/28/44/48/598284448.db2.gz GLCCGQMKOBBYEI-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737414909 598284450 /nfs/dbraw/zinc/28/44/50/598284450.db2.gz GLCCGQMKOBBYEI-OAHLLOKOSA-N -1 3 378.480 3.513 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737852785 598290462 /nfs/dbraw/zinc/29/04/62/598290462.db2.gz GUTLKNQPBOJLOH-UHFFFAOYSA-N -1 3 395.221 3.989 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737852785 598290463 /nfs/dbraw/zinc/29/04/63/598290463.db2.gz GUTLKNQPBOJLOH-UHFFFAOYSA-N -1 3 395.221 3.989 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736456888 598299092 /nfs/dbraw/zinc/29/90/92/598299092.db2.gz MDUJCPAHUHIJCD-UHFFFAOYSA-N -1 3 396.470 3.562 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736456888 598299094 /nfs/dbraw/zinc/29/90/94/598299094.db2.gz MDUJCPAHUHIJCD-UHFFFAOYSA-N -1 3 396.470 3.562 20 0 GHADHM CCN(C(=S)N[C@H](C)c1cccs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507930 598322058 /nfs/dbraw/zinc/32/20/58/598322058.db2.gz HCLDNLFUUHJXNB-OLZOCXBDSA-N -1 3 386.550 3.947 20 0 GHADHM CCN(C(=S)N[C@H](C)c1cccs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507930 598322059 /nfs/dbraw/zinc/32/20/59/598322059.db2.gz HCLDNLFUUHJXNB-OLZOCXBDSA-N -1 3 386.550 3.947 20 0 GHADHM CCCCOc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000736464065 598323212 /nfs/dbraw/zinc/32/32/12/598323212.db2.gz VXFUYOGYCSCFQB-UHFFFAOYSA-N -1 3 398.442 3.815 20 0 GHADHM CCCCOc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000736464065 598323213 /nfs/dbraw/zinc/32/32/13/598323213.db2.gz VXFUYOGYCSCFQB-UHFFFAOYSA-N -1 3 398.442 3.815 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](c2ccccc2)C1 ZINC000738400495 598324935 /nfs/dbraw/zinc/32/49/35/598324935.db2.gz DOSFVBRNWRUZKV-ZDUSSCGKSA-N -1 3 384.896 3.706 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](c2ccccc2)C1 ZINC000738400495 598324937 /nfs/dbraw/zinc/32/49/37/598324937.db2.gz DOSFVBRNWRUZKV-ZDUSSCGKSA-N -1 3 384.896 3.706 20 0 GHADHM CCC1CCC(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736398067 598325709 /nfs/dbraw/zinc/32/57/09/598325709.db2.gz YHZXZCWOKOYLNG-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CCC1CCC(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736398067 598325710 /nfs/dbraw/zinc/32/57/10/598325710.db2.gz YHZXZCWOKOYLNG-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C(C)(C)C)n1 ZINC000735905413 598327132 /nfs/dbraw/zinc/32/71/32/598327132.db2.gz IEZLDRCLSFOENR-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736104602 598359842 /nfs/dbraw/zinc/35/98/42/598359842.db2.gz HHAPRHYZYKDCBQ-CYBMUJFWSA-N -1 3 377.473 3.891 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736104602 598359844 /nfs/dbraw/zinc/35/98/44/598359844.db2.gz HHAPRHYZYKDCBQ-CYBMUJFWSA-N -1 3 377.473 3.891 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736170191 598359928 /nfs/dbraw/zinc/35/99/28/598359928.db2.gz OLAMHISBZAREGQ-CHWSQXEVSA-N -1 3 393.472 3.726 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)COc2ccccc2C(C)C)n1 ZINC000737241503 598372690 /nfs/dbraw/zinc/37/26/90/598372690.db2.gz RKVZHOKDOYYEMI-HNNXBMFYSA-N -1 3 399.520 3.534 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)COc2ccccc2C(C)C)n1 ZINC000737241503 598372691 /nfs/dbraw/zinc/37/26/91/598372691.db2.gz RKVZHOKDOYYEMI-HNNXBMFYSA-N -1 3 399.520 3.534 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1ccc(N2CCCCC2)cc1 ZINC000737558961 598390452 /nfs/dbraw/zinc/39/04/52/598390452.db2.gz UDQJCVDQPZKZDH-UHFFFAOYSA-N -1 3 383.887 3.560 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1ccc(N2CCCCC2)cc1 ZINC000737558961 598390453 /nfs/dbraw/zinc/39/04/53/598390453.db2.gz UDQJCVDQPZKZDH-UHFFFAOYSA-N -1 3 383.887 3.560 20 0 GHADHM Clc1ccc(N2CC[C@H](CNc3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000737577144 598392786 /nfs/dbraw/zinc/39/27/86/598392786.db2.gz UIAQNRYJZNTUDI-LLVKDONJSA-N -1 3 390.278 3.507 20 0 GHADHM Clc1ccc(N2CC[C@H](CNc3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000737577144 598392788 /nfs/dbraw/zinc/39/27/88/598392788.db2.gz UIAQNRYJZNTUDI-LLVKDONJSA-N -1 3 390.278 3.507 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(OCC(C)C)cc2)s1 ZINC000736679016 598395596 /nfs/dbraw/zinc/39/55/96/598395596.db2.gz ISSOBDIUFDLFOK-UHFFFAOYSA-N -1 3 385.493 3.707 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(OCC(C)C)cc2)s1 ZINC000736679016 598395597 /nfs/dbraw/zinc/39/55/97/598395597.db2.gz ISSOBDIUFDLFOK-UHFFFAOYSA-N -1 3 385.493 3.707 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000737221537 598395877 /nfs/dbraw/zinc/39/58/77/598395877.db2.gz MATGGHQCYGJBGC-UHFFFAOYSA-N -1 3 385.427 3.860 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737422088 598398021 /nfs/dbraw/zinc/39/80/21/598398021.db2.gz KRWVJGXQRITZMD-UHFFFAOYSA-N -1 3 375.476 3.514 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737422088 598398023 /nfs/dbraw/zinc/39/80/23/598398023.db2.gz KRWVJGXQRITZMD-UHFFFAOYSA-N -1 3 375.476 3.514 20 0 GHADHM Cc1nc(CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)oc1-c1ccccc1 ZINC000737471315 598398058 /nfs/dbraw/zinc/39/80/58/598398058.db2.gz HIONOTULTRDQMX-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM Cc1nc(CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)oc1-c1ccccc1 ZINC000737471315 598398059 /nfs/dbraw/zinc/39/80/59/598398059.db2.gz HIONOTULTRDQMX-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738236737 598412490 /nfs/dbraw/zinc/41/24/90/598412490.db2.gz RVKCHHNABFMHMM-IBGZPJMESA-N -1 3 378.432 3.610 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738236737 598412492 /nfs/dbraw/zinc/41/24/92/598412492.db2.gz RVKCHHNABFMHMM-IBGZPJMESA-N -1 3 378.432 3.610 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C ZINC000735907169 598413145 /nfs/dbraw/zinc/41/31/45/598413145.db2.gz XUGHHPQAOUCTPM-AWEZNQCLSA-N -1 3 392.463 3.805 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C ZINC000735907169 598413146 /nfs/dbraw/zinc/41/31/46/598413146.db2.gz XUGHHPQAOUCTPM-AWEZNQCLSA-N -1 3 392.463 3.805 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737151865 598421589 /nfs/dbraw/zinc/42/15/89/598421589.db2.gz GKRVYZGJIDHOLJ-LBPRGKRZSA-N -1 3 397.504 3.633 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737151865 598421590 /nfs/dbraw/zinc/42/15/90/598421590.db2.gz GKRVYZGJIDHOLJ-LBPRGKRZSA-N -1 3 397.504 3.633 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737418492 598428515 /nfs/dbraw/zinc/42/85/15/598428515.db2.gz BLKAQNWJFWQHQU-MRXNPFEDSA-N -1 3 378.480 3.856 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737418492 598428517 /nfs/dbraw/zinc/42/85/17/598428517.db2.gz BLKAQNWJFWQHQU-MRXNPFEDSA-N -1 3 378.480 3.856 20 0 GHADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736448474 598436414 /nfs/dbraw/zinc/43/64/14/598436414.db2.gz ZVTIJPAMWLQIQZ-GFCCVEGCSA-N -1 3 377.514 3.588 20 0 GHADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736448474 598436415 /nfs/dbraw/zinc/43/64/15/598436415.db2.gz ZVTIJPAMWLQIQZ-GFCCVEGCSA-N -1 3 377.514 3.588 20 0 GHADHM O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738001437 598441503 /nfs/dbraw/zinc/44/15/03/598441503.db2.gz LOTDDXMXCBIIKD-HXUWFJFHSA-N -1 3 396.410 3.527 20 0 GHADHM O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738001437 598441504 /nfs/dbraw/zinc/44/15/04/598441504.db2.gz LOTDDXMXCBIIKD-HXUWFJFHSA-N -1 3 396.410 3.527 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(-c2ccccc2Cl)n1 ZINC000738206128 598441739 /nfs/dbraw/zinc/44/17/39/598441739.db2.gz DCAQPARKIFUDRR-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(-c2ccccc2Cl)n1 ZINC000738206128 598441740 /nfs/dbraw/zinc/44/17/40/598441740.db2.gz DCAQPARKIFUDRR-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C(C)c1ccccc1OC ZINC000736481693 598442508 /nfs/dbraw/zinc/44/25/08/598442508.db2.gz ZPQHEAIYTUKLGQ-JQIJEIRASA-N -1 3 391.475 3.717 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C(C)c1ccccc1OC ZINC000736481693 598442509 /nfs/dbraw/zinc/44/25/09/598442509.db2.gz ZPQHEAIYTUKLGQ-JQIJEIRASA-N -1 3 391.475 3.717 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738099605 598454673 /nfs/dbraw/zinc/45/46/73/598454673.db2.gz HGALZCOTFCUGLZ-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738099605 598454675 /nfs/dbraw/zinc/45/46/75/598454675.db2.gz HGALZCOTFCUGLZ-RTBURBONSA-N -1 3 387.418 3.579 20 0 GHADHM Clc1cc(NCCCOc2ccc(-c3nn[n-]n3)cc2)ccc1-n1cccn1 ZINC000737567106 598458866 /nfs/dbraw/zinc/45/88/66/598458866.db2.gz XPQMXQGBDQRCJU-UHFFFAOYSA-N -1 3 395.854 3.587 20 0 GHADHM CCCOc1ccccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736491984 598474623 /nfs/dbraw/zinc/47/46/23/598474623.db2.gz GXGFKISWPZEZEC-UHFFFAOYSA-N -1 3 392.463 3.852 20 0 GHADHM CCCOc1ccccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736491984 598474625 /nfs/dbraw/zinc/47/46/25/598474625.db2.gz GXGFKISWPZEZEC-UHFFFAOYSA-N -1 3 392.463 3.852 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737100174 598475055 /nfs/dbraw/zinc/47/50/55/598475055.db2.gz UNRCOZCTDZPHGK-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737100174 598475056 /nfs/dbraw/zinc/47/50/56/598475056.db2.gz UNRCOZCTDZPHGK-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735992376 598475877 /nfs/dbraw/zinc/47/58/77/598475877.db2.gz DHYOEHCSBQUZAH-MRXNPFEDSA-N -1 3 390.491 3.562 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735992376 598475878 /nfs/dbraw/zinc/47/58/78/598475878.db2.gz DHYOEHCSBQUZAH-MRXNPFEDSA-N -1 3 390.491 3.562 20 0 GHADHM CC(C)[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000735720179 598477390 /nfs/dbraw/zinc/47/73/90/598477390.db2.gz IQGOAPTZLGJJCE-FQEVSTJZSA-N -1 3 390.491 3.938 20 0 GHADHM CC(C)[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000735720179 598477391 /nfs/dbraw/zinc/47/73/91/598477391.db2.gz IQGOAPTZLGJJCE-FQEVSTJZSA-N -1 3 390.491 3.938 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737548225 598483677 /nfs/dbraw/zinc/48/36/77/598483677.db2.gz OSXAWFPHBVTILY-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737548225 598483679 /nfs/dbraw/zinc/48/36/79/598483679.db2.gz OSXAWFPHBVTILY-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736152938 598485720 /nfs/dbraw/zinc/48/57/20/598485720.db2.gz WEHJRNLACHBTFH-LBPRGKRZSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736152938 598485721 /nfs/dbraw/zinc/48/57/21/598485721.db2.gz WEHJRNLACHBTFH-LBPRGKRZSA-N -1 3 388.374 3.705 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736183491 598488404 /nfs/dbraw/zinc/48/84/04/598488404.db2.gz SGQHNMKLBPKGIP-AWEZNQCLSA-N -1 3 396.495 3.953 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736183491 598488406 /nfs/dbraw/zinc/48/84/06/598488406.db2.gz SGQHNMKLBPKGIP-AWEZNQCLSA-N -1 3 396.495 3.953 20 0 GHADHM C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736149988 598490321 /nfs/dbraw/zinc/49/03/21/598490321.db2.gz MAJJXSYHVWZDPO-CQSZACIVSA-N -1 3 375.432 3.975 20 0 GHADHM C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736149988 598490322 /nfs/dbraw/zinc/49/03/22/598490322.db2.gz MAJJXSYHVWZDPO-CQSZACIVSA-N -1 3 375.432 3.975 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736193905 598490996 /nfs/dbraw/zinc/49/09/96/598490996.db2.gz UKFUVRHJSQJRGL-CYBMUJFWSA-N -1 3 384.509 3.684 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736193905 598490997 /nfs/dbraw/zinc/49/09/97/598490997.db2.gz UKFUVRHJSQJRGL-CYBMUJFWSA-N -1 3 384.509 3.684 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737546742 598491634 /nfs/dbraw/zinc/49/16/34/598491634.db2.gz GRKLLLMFUPXXSC-UHFFFAOYSA-N -1 3 397.464 3.700 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737546742 598491636 /nfs/dbraw/zinc/49/16/36/598491636.db2.gz GRKLLLMFUPXXSC-UHFFFAOYSA-N -1 3 397.464 3.700 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000737042857 598492341 /nfs/dbraw/zinc/49/23/41/598492341.db2.gz TZOCRNOFMUDFAG-ZDUSSCGKSA-N -1 3 382.420 3.581 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000737042857 598492342 /nfs/dbraw/zinc/49/23/42/598492342.db2.gz TZOCRNOFMUDFAG-ZDUSSCGKSA-N -1 3 382.420 3.581 20 0 GHADHM Cc1ccc(N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C2CCCCC2)nc1 ZINC000737346481 598494962 /nfs/dbraw/zinc/49/49/62/598494962.db2.gz GOEUZLHLSRMPNV-UHFFFAOYSA-N -1 3 390.491 3.869 20 0 GHADHM Cc1ccc(N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C2CCCCC2)nc1 ZINC000737346481 598494963 /nfs/dbraw/zinc/49/49/63/598494963.db2.gz GOEUZLHLSRMPNV-UHFFFAOYSA-N -1 3 390.491 3.869 20 0 GHADHM COc1cc(C2(C(=O)OCc3cccc(-c4nnn[n-]4)c3)CCCC2)ccc1C ZINC000737042976 598512931 /nfs/dbraw/zinc/51/29/31/598512931.db2.gz UTAQZVUXZDPARH-UHFFFAOYSA-N -1 3 392.459 3.739 20 0 GHADHM COc1cc(C2(C(=O)OCc3cccc(-c4nn[n-]n4)c3)CCCC2)ccc1C ZINC000737042976 598512933 /nfs/dbraw/zinc/51/29/33/598512933.db2.gz UTAQZVUXZDPARH-UHFFFAOYSA-N -1 3 392.459 3.739 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccccn3)s2)c1-c1nnn[n-]1 ZINC000736676385 598514166 /nfs/dbraw/zinc/51/41/66/598514166.db2.gz SVTMJMDYXUIMQW-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccccn3)s2)c1-c1nn[n-]n1 ZINC000736676385 598514167 /nfs/dbraw/zinc/51/41/67/598514167.db2.gz SVTMJMDYXUIMQW-UHFFFAOYSA-N -1 3 397.489 3.570 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOCCc2ccccc2)c1-c1nnn[n-]1 ZINC000736669264 598515142 /nfs/dbraw/zinc/51/51/42/598515142.db2.gz BGYPPCGTBWSTNT-UHFFFAOYSA-N -1 3 399.520 3.777 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCOCCc2ccccc2)c1-c1nn[n-]n1 ZINC000736669264 598515144 /nfs/dbraw/zinc/51/51/44/598515144.db2.gz BGYPPCGTBWSTNT-UHFFFAOYSA-N -1 3 399.520 3.777 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000737292566 598515369 /nfs/dbraw/zinc/51/53/69/598515369.db2.gz VNCDFQQQJKEICK-UHFFFAOYSA-N -1 3 398.511 3.767 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000737292566 598515371 /nfs/dbraw/zinc/51/53/71/598515371.db2.gz VNCDFQQQJKEICK-UHFFFAOYSA-N -1 3 398.511 3.767 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1-c1nnn[n-]1 ZINC000736674383 598515632 /nfs/dbraw/zinc/51/56/32/598515632.db2.gz CCTRYHXNXYMZCX-UHFFFAOYSA-N -1 3 398.448 3.537 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1-c1nn[n-]n1 ZINC000736674383 598515634 /nfs/dbraw/zinc/51/56/34/598515634.db2.gz CCTRYHXNXYMZCX-UHFFFAOYSA-N -1 3 398.448 3.537 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3F)on2)c1-c1nnn[n-]1 ZINC000736677038 598516469 /nfs/dbraw/zinc/51/64/69/598516469.db2.gz YPPSFMOKXVABKT-UHFFFAOYSA-N -1 3 398.423 3.845 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3F)on2)c1-c1nn[n-]n1 ZINC000736677038 598516471 /nfs/dbraw/zinc/51/64/71/598516471.db2.gz YPPSFMOKXVABKT-UHFFFAOYSA-N -1 3 398.423 3.845 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@H]1C ZINC000736251337 598538423 /nfs/dbraw/zinc/53/84/23/598538423.db2.gz ILNSBEZADXBKLX-GLJUWKHASA-N -1 3 395.463 3.593 20 0 GHADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736401484 598540128 /nfs/dbraw/zinc/54/01/28/598540128.db2.gz XTNLBMQOMKJDQZ-KSSFIOAISA-N -1 3 395.463 3.737 20 0 GHADHM Cc1ccc(C)c(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000737322240 598541230 /nfs/dbraw/zinc/54/12/30/598541230.db2.gz KPYQAQSNMMTGCF-UHFFFAOYSA-N -1 3 387.443 3.852 20 0 GHADHM Cc1ccc(C)c(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000737322240 598541231 /nfs/dbraw/zinc/54/12/31/598541231.db2.gz KPYQAQSNMMTGCF-UHFFFAOYSA-N -1 3 387.443 3.852 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(C(F)(F)F)ccc1F ZINC000737798217 598542824 /nfs/dbraw/zinc/54/28/24/598542824.db2.gz HALVHEBCPPIDQN-YVMONPNESA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(C(F)(F)F)ccc1F ZINC000737798217 598542826 /nfs/dbraw/zinc/54/28/26/598542826.db2.gz HALVHEBCPPIDQN-YVMONPNESA-N -1 3 377.301 3.677 20 0 GHADHM COc1cccc(C2(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)CCCC2)c1 ZINC000737126376 598543880 /nfs/dbraw/zinc/54/38/80/598543880.db2.gz GOWQVGHBUCHNGA-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM COc1cccc(C2(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)CCCC2)c1 ZINC000737126376 598543883 /nfs/dbraw/zinc/54/38/83/598543883.db2.gz GOWQVGHBUCHNGA-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM O=C(CCc1cccc(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737856999 598545636 /nfs/dbraw/zinc/54/56/36/598545636.db2.gz JJQSYSBEOGSVKS-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(CCc1cccc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737856999 598545638 /nfs/dbraw/zinc/54/56/38/598545638.db2.gz JJQSYSBEOGSVKS-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737967164 598547688 /nfs/dbraw/zinc/54/76/88/598547688.db2.gz XPTCKVOFATVAIB-UHFFFAOYSA-N -1 3 395.369 3.803 20 0 GHADHM O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737967164 598547690 /nfs/dbraw/zinc/54/76/90/598547690.db2.gz XPTCKVOFATVAIB-UHFFFAOYSA-N -1 3 395.369 3.803 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737329524 598555564 /nfs/dbraw/zinc/55/55/64/598555564.db2.gz MKKMHLAOYKNBQD-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737329524 598555566 /nfs/dbraw/zinc/55/55/66/598555566.db2.gz MKKMHLAOYKNBQD-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N[C@H](C)C(C)C ZINC000737280754 598559251 /nfs/dbraw/zinc/55/92/51/598559251.db2.gz SDAGVZKFGLXMCK-OAHLLOKOSA-N -1 3 394.479 3.920 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N[C@H](C)C(C)C ZINC000737280754 598559252 /nfs/dbraw/zinc/55/92/52/598559252.db2.gz SDAGVZKFGLXMCK-OAHLLOKOSA-N -1 3 394.479 3.920 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735811803 598559452 /nfs/dbraw/zinc/55/94/52/598559452.db2.gz VSTJXEXTUFVKRN-OAHLLOKOSA-N -1 3 394.479 3.622 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735811803 598559454 /nfs/dbraw/zinc/55/94/54/598559454.db2.gz VSTJXEXTUFVKRN-OAHLLOKOSA-N -1 3 394.479 3.622 20 0 GHADHM COCCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736979362 598565913 /nfs/dbraw/zinc/56/59/13/598565913.db2.gz RSJDTQNCIOVVBT-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM COCCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736979362 598565914 /nfs/dbraw/zinc/56/59/14/598565914.db2.gz RSJDTQNCIOVVBT-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736308368 598571759 /nfs/dbraw/zinc/57/17/59/598571759.db2.gz CPIIFKLRYPKRPG-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736308368 598571761 /nfs/dbraw/zinc/57/17/61/598571761.db2.gz CPIIFKLRYPKRPG-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ccccc1-c1nnn[n-]1 ZINC000737838081 598572389 /nfs/dbraw/zinc/57/23/89/598572389.db2.gz YQVURTAESNRSNH-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ccccc1-c1nn[n-]n1 ZINC000737838081 598572391 /nfs/dbraw/zinc/57/23/91/598572391.db2.gz YQVURTAESNRSNH-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)s2)o1 ZINC000737288703 598586153 /nfs/dbraw/zinc/58/61/53/598586153.db2.gz PNJZFVRPHMRVJB-UHFFFAOYSA-N -1 3 384.396 3.591 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)s2)o1 ZINC000737288703 598586154 /nfs/dbraw/zinc/58/61/54/598586154.db2.gz PNJZFVRPHMRVJB-UHFFFAOYSA-N -1 3 384.396 3.591 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000737286905 598587228 /nfs/dbraw/zinc/58/72/28/598587228.db2.gz AYQXJXVFRQTGPK-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000737286905 598587229 /nfs/dbraw/zinc/58/72/29/598587229.db2.gz AYQXJXVFRQTGPK-UHFFFAOYSA-N -1 3 392.394 3.541 20 0 GHADHM c1ccc(-c2noc(-c3cccc(OCc4ccccc4-c4nnn[n-]4)c3)n2)nc1 ZINC000738424608 598609188 /nfs/dbraw/zinc/60/91/88/598609188.db2.gz HCKDWERAJHFPOJ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2noc(-c3cccc(OCc4ccccc4-c4nn[n-]n4)c3)n2)nc1 ZINC000738424608 598609191 /nfs/dbraw/zinc/60/91/91/598609191.db2.gz HCKDWERAJHFPOJ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccccc1Oc1cccnc1 ZINC000737796431 598619507 /nfs/dbraw/zinc/61/95/07/598619507.db2.gz BECBDFDFHLJBGK-QXMHVHEDSA-N -1 3 399.410 3.811 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccccc1Oc1cccnc1 ZINC000737796431 598619509 /nfs/dbraw/zinc/61/95/09/598619509.db2.gz BECBDFDFHLJBGK-QXMHVHEDSA-N -1 3 399.410 3.811 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735914379 598630569 /nfs/dbraw/zinc/63/05/69/598630569.db2.gz QSBPKQWDPGVLAZ-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735914379 598630570 /nfs/dbraw/zinc/63/05/70/598630570.db2.gz QSBPKQWDPGVLAZ-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c(C)c1 ZINC000737359415 598643657 /nfs/dbraw/zinc/64/36/57/598643657.db2.gz DSPWDPLMTBBKSX-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c(C)c1 ZINC000737359415 598643659 /nfs/dbraw/zinc/64/36/59/598643659.db2.gz DSPWDPLMTBBKSX-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CSc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737189086 598646656 /nfs/dbraw/zinc/64/66/56/598646656.db2.gz DEZYGJFHEDVFJV-UHFFFAOYSA-N -1 3 384.461 3.743 20 0 GHADHM CSc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737189086 598646658 /nfs/dbraw/zinc/64/66/58/598646658.db2.gz DEZYGJFHEDVFJV-UHFFFAOYSA-N -1 3 384.461 3.743 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)CSc1ccccc1 ZINC000736629068 598646853 /nfs/dbraw/zinc/64/68/53/598646853.db2.gz SZMNOJZXCPSMTP-CYBMUJFWSA-N -1 3 384.461 3.599 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)CSc1ccccc1 ZINC000736629068 598646855 /nfs/dbraw/zinc/64/68/55/598646855.db2.gz SZMNOJZXCPSMTP-CYBMUJFWSA-N -1 3 384.461 3.599 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CSc1ccccc1 ZINC000736629070 598646969 /nfs/dbraw/zinc/64/69/69/598646969.db2.gz SZMNOJZXCPSMTP-ZDUSSCGKSA-N -1 3 384.461 3.599 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CSc1ccccc1 ZINC000736629070 598646970 /nfs/dbraw/zinc/64/69/70/598646970.db2.gz SZMNOJZXCPSMTP-ZDUSSCGKSA-N -1 3 384.461 3.599 20 0 GHADHM CN(Cc1ccco1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736828080 598648824 /nfs/dbraw/zinc/64/88/24/598648824.db2.gz HFRWIYBTJNBHNG-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CN(Cc1ccco1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736828080 598648825 /nfs/dbraw/zinc/64/88/25/598648825.db2.gz HFRWIYBTJNBHNG-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CC(C)COc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735844902 598654450 /nfs/dbraw/zinc/65/44/50/598654450.db2.gz QECFPLFESRJBBY-UHFFFAOYSA-N -1 3 383.477 3.632 20 0 GHADHM CC(C)COc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735844902 598654452 /nfs/dbraw/zinc/65/44/52/598654452.db2.gz QECFPLFESRJBBY-UHFFFAOYSA-N -1 3 383.477 3.632 20 0 GHADHM CC(C)OCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735903050 598656236 /nfs/dbraw/zinc/65/62/36/598656236.db2.gz DBYFQURNQLRMSD-UHFFFAOYSA-N -1 3 383.477 3.523 20 0 GHADHM CC(C)OCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735903050 598656238 /nfs/dbraw/zinc/65/62/38/598656238.db2.gz DBYFQURNQLRMSD-UHFFFAOYSA-N -1 3 383.477 3.523 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000738301561 598656799 /nfs/dbraw/zinc/65/67/99/598656799.db2.gz DBRLMXYPLOAHLP-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000738301561 598656801 /nfs/dbraw/zinc/65/68/01/598656801.db2.gz DBRLMXYPLOAHLP-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM CCOc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000736626902 598657501 /nfs/dbraw/zinc/65/75/01/598657501.db2.gz ULIPINIVGDZQEG-UHFFFAOYSA-N -1 3 395.463 3.762 20 0 GHADHM CCOc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000736626902 598657503 /nfs/dbraw/zinc/65/75/03/598657503.db2.gz ULIPINIVGDZQEG-UHFFFAOYSA-N -1 3 395.463 3.762 20 0 GHADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000737336417 598657554 /nfs/dbraw/zinc/65/75/54/598657554.db2.gz CKXUZUBESBDXKR-UHFFFAOYSA-N -1 3 387.534 3.766 20 0 GHADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000737336417 598657556 /nfs/dbraw/zinc/65/75/56/598657556.db2.gz CKXUZUBESBDXKR-UHFFFAOYSA-N -1 3 387.534 3.766 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C(F)F)c1 ZINC000737832208 598658141 /nfs/dbraw/zinc/65/81/41/598658141.db2.gz GDDUQAIOMAOJMQ-UHFFFAOYSA-N -1 3 387.390 3.992 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C(F)F)c1 ZINC000737832208 598658143 /nfs/dbraw/zinc/65/81/43/598658143.db2.gz GDDUQAIOMAOJMQ-UHFFFAOYSA-N -1 3 387.390 3.992 20 0 GHADHM Cc1cc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)ccc1F ZINC000737274544 598660197 /nfs/dbraw/zinc/66/01/97/598660197.db2.gz NZDXFXIONDBOPD-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736122365 598662602 /nfs/dbraw/zinc/66/26/02/598662602.db2.gz IXNOJUFZWZXQHD-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735748045 598667216 /nfs/dbraw/zinc/66/72/16/598667216.db2.gz GWWOZAXQXDCWHY-IBGZPJMESA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735748045 598667219 /nfs/dbraw/zinc/66/72/19/598667219.db2.gz GWWOZAXQXDCWHY-IBGZPJMESA-N -1 3 377.448 3.920 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC[C@@H]1C1CC1 ZINC000738273780 598669853 /nfs/dbraw/zinc/66/98/53/598669853.db2.gz MRKOYHDYIPHMDL-LJQANCHMSA-N -1 3 375.432 3.674 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC[C@@H]1C1CC1 ZINC000738273780 598669855 /nfs/dbraw/zinc/66/98/55/598669855.db2.gz MRKOYHDYIPHMDL-LJQANCHMSA-N -1 3 375.432 3.674 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000737562930 598673490 /nfs/dbraw/zinc/67/34/90/598673490.db2.gz ANMQNVNPDUELSU-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000737562930 598673491 /nfs/dbraw/zinc/67/34/91/598673491.db2.gz ANMQNVNPDUELSU-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821782943 607364647 /nfs/dbraw/zinc/36/46/47/607364647.db2.gz TWVUJHPYVVEEFW-LJQANCHMSA-N -1 3 377.448 3.633 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821782943 607364649 /nfs/dbraw/zinc/36/46/49/607364649.db2.gz TWVUJHPYVVEEFW-LJQANCHMSA-N -1 3 377.448 3.633 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000736189204 598696238 /nfs/dbraw/zinc/69/62/38/598696238.db2.gz BIPJGUDKPNVTER-SNVBAGLBSA-N -1 3 391.859 3.920 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1 ZINC000736189204 598696240 /nfs/dbraw/zinc/69/62/40/598696240.db2.gz BIPJGUDKPNVTER-SNVBAGLBSA-N -1 3 391.859 3.920 20 0 GHADHM CCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736701549 598696839 /nfs/dbraw/zinc/69/68/39/598696839.db2.gz DGJMGSSKAMNJJE-GFCCVEGCSA-N -1 3 385.468 3.829 20 0 GHADHM CCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736701549 598696841 /nfs/dbraw/zinc/69/68/41/598696841.db2.gz DGJMGSSKAMNJJE-GFCCVEGCSA-N -1 3 385.468 3.829 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737937063 598702162 /nfs/dbraw/zinc/70/21/62/598702162.db2.gz ZGLUEVRWSNHLFX-UHFFFAOYSA-N -1 3 392.843 3.636 20 0 GHADHM O=C(CSCc1cccc(Cl)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737937063 598702163 /nfs/dbraw/zinc/70/21/63/598702163.db2.gz ZGLUEVRWSNHLFX-UHFFFAOYSA-N -1 3 392.843 3.636 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737955023 598711552 /nfs/dbraw/zinc/71/15/52/598711552.db2.gz VXRXKUQUKZJQPZ-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737955023 598711554 /nfs/dbraw/zinc/71/15/54/598711554.db2.gz VXRXKUQUKZJQPZ-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000738101647 598726102 /nfs/dbraw/zinc/72/61/02/598726102.db2.gz JJMHLJJNAIHLRG-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000738101647 598726103 /nfs/dbraw/zinc/72/61/03/598726103.db2.gz JJMHLJJNAIHLRG-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000736637039 598729547 /nfs/dbraw/zinc/72/95/47/598729547.db2.gz NTBPBODPFAYORY-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000736637039 598729548 /nfs/dbraw/zinc/72/95/48/598729548.db2.gz NTBPBODPFAYORY-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CC[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736333444 598737307 /nfs/dbraw/zinc/73/73/07/598737307.db2.gz QGJYUGXYJXLOFA-GFCCVEGCSA-N -1 3 387.390 3.991 20 0 GHADHM CC[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736333444 598737309 /nfs/dbraw/zinc/73/73/09/598737309.db2.gz QGJYUGXYJXLOFA-GFCCVEGCSA-N -1 3 387.390 3.991 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735904387 598741142 /nfs/dbraw/zinc/74/11/42/598741142.db2.gz NTURVSRRYIMDIT-OAHLLOKOSA-N -1 3 391.475 3.788 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735904387 598741143 /nfs/dbraw/zinc/74/11/43/598741143.db2.gz NTURVSRRYIMDIT-OAHLLOKOSA-N -1 3 391.475 3.788 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736667408 598745795 /nfs/dbraw/zinc/74/57/95/598745795.db2.gz PMFLWDCQRZOVPX-KGLIPLIRSA-N -1 3 397.504 3.623 20 0 GHADHM O=C(CCCC1CCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737824605 598747121 /nfs/dbraw/zinc/74/71/21/598747121.db2.gz GXKRHZFFZQKNHB-UHFFFAOYSA-N -1 3 397.523 3.987 20 0 GHADHM c1cc2c(ccnc2N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000738420264 598756642 /nfs/dbraw/zinc/75/66/42/598756642.db2.gz BJGZAKJIFDEDSF-UHFFFAOYSA-N -1 3 378.461 3.524 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820174259 607366763 /nfs/dbraw/zinc/36/67/63/607366763.db2.gz PPVOCHOSULPSHE-ZDUSSCGKSA-N -1 3 382.493 3.702 20 0 GHADHM CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820174259 607366764 /nfs/dbraw/zinc/36/67/64/607366764.db2.gz PPVOCHOSULPSHE-ZDUSSCGKSA-N -1 3 382.493 3.702 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCCCCn2cccn2)n1 ZINC000737246347 598788017 /nfs/dbraw/zinc/78/80/17/598788017.db2.gz SRZWIWLPBJETCB-UHFFFAOYSA-N -1 3 397.430 3.748 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@H]3CCC[C@@H](C)C3)c2-c2nnn[n-]2)C1 ZINC000736281334 598789584 /nfs/dbraw/zinc/78/95/84/598789584.db2.gz VEOSPTIKCYATGS-UPJWGTAASA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@H]3CCC[C@@H](C)C3)c2-c2nn[n-]n2)C1 ZINC000736281334 598789586 /nfs/dbraw/zinc/78/95/86/598789586.db2.gz VEOSPTIKCYATGS-UPJWGTAASA-N -1 3 389.525 3.587 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738163859 598791349 /nfs/dbraw/zinc/79/13/49/598791349.db2.gz QHNUDALUUDCWDD-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738163859 598791350 /nfs/dbraw/zinc/79/13/50/598791350.db2.gz QHNUDALUUDCWDD-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736269543 598803612 /nfs/dbraw/zinc/80/36/12/598803612.db2.gz HFGKJNGKXXKKBR-DNVCBOLYSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736269543 598803615 /nfs/dbraw/zinc/80/36/15/598803615.db2.gz HFGKJNGKXXKKBR-DNVCBOLYSA-N -1 3 395.463 3.588 20 0 GHADHM Fc1cccc(NCCCCc2nc(-c3cccnc3)cs2)c1-c1nnn[n-]1 ZINC000737665511 598809941 /nfs/dbraw/zinc/80/99/41/598809941.db2.gz REKNPWMWAWRBMN-UHFFFAOYSA-N -1 3 395.467 3.959 20 0 GHADHM Fc1cccc(NCCCCc2nc(-c3cccnc3)cs2)c1-c1nn[n-]n1 ZINC000737665511 598809942 /nfs/dbraw/zinc/80/99/42/598809942.db2.gz REKNPWMWAWRBMN-UHFFFAOYSA-N -1 3 395.467 3.959 20 0 GHADHM Cc1cc(N(C)[C@@H](C)c2ccccn2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270195 598815249 /nfs/dbraw/zinc/81/52/49/598815249.db2.gz LDFNVNACFXOLPF-AWEZNQCLSA-N -1 3 384.447 3.568 20 0 GHADHM Cc1cc(N(C)[C@@H](C)c2ccccn2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270195 598815251 /nfs/dbraw/zinc/81/52/51/598815251.db2.gz LDFNVNACFXOLPF-AWEZNQCLSA-N -1 3 384.447 3.568 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737541250 598821866 /nfs/dbraw/zinc/82/18/66/598821866.db2.gz ZIVCTGAORZMUNB-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1noc(C)c1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737541250 598821867 /nfs/dbraw/zinc/82/18/67/598821867.db2.gz ZIVCTGAORZMUNB-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1N1CCCCC1 ZINC000738162915 598822099 /nfs/dbraw/zinc/82/20/99/598822099.db2.gz HQYQJRKTAUAUSL-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1N1CCCCC1 ZINC000738162915 598822100 /nfs/dbraw/zinc/82/21/00/598822100.db2.gz HQYQJRKTAUAUSL-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)NC1CCCC1 ZINC000823355410 599298355 /nfs/dbraw/zinc/29/83/55/599298355.db2.gz CCKFQHLYNFGZSF-UHFFFAOYSA-N -1 3 382.399 3.862 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)NC1CCCC1 ZINC000823355410 599298356 /nfs/dbraw/zinc/29/83/56/599298356.db2.gz CCKFQHLYNFGZSF-UHFFFAOYSA-N -1 3 382.399 3.862 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736748664 599305376 /nfs/dbraw/zinc/30/53/76/599305376.db2.gz JLQLPSGRQJZWAC-UHFFFAOYSA-N -1 3 389.440 3.764 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736748664 599305379 /nfs/dbraw/zinc/30/53/79/599305379.db2.gz JLQLPSGRQJZWAC-UHFFFAOYSA-N -1 3 389.440 3.764 20 0 GHADHM FC(F)Oc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737639775 599326474 /nfs/dbraw/zinc/32/64/74/599326474.db2.gz WUFLNHYBDVYIQV-UHFFFAOYSA-N -1 3 381.770 3.612 20 0 GHADHM FC(F)Oc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737639775 599326477 /nfs/dbraw/zinc/32/64/77/599326477.db2.gz WUFLNHYBDVYIQV-UHFFFAOYSA-N -1 3 381.770 3.612 20 0 GHADHM O=C(c1ccccc1)c1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738279427 599329400 /nfs/dbraw/zinc/32/94/00/599329400.db2.gz RCCAJLYLLVVXHK-UHFFFAOYSA-N -1 3 385.427 3.589 20 0 GHADHM O=C(c1ccccc1)c1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738279427 599329402 /nfs/dbraw/zinc/32/94/02/599329402.db2.gz RCCAJLYLLVVXHK-UHFFFAOYSA-N -1 3 385.427 3.589 20 0 GHADHM Cc1c(NCCOc2cccc(-c3nnn[n-]3)c2)cccc1OCC(F)(F)F ZINC000737218519 599330402 /nfs/dbraw/zinc/33/04/02/599330402.db2.gz KNRCCEWTHZHOCA-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM Cc1c(NCCOc2cccc(-c3nn[n-]n3)c2)cccc1OCC(F)(F)F ZINC000737218519 599330405 /nfs/dbraw/zinc/33/04/05/599330405.db2.gz KNRCCEWTHZHOCA-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737153523 599331051 /nfs/dbraw/zinc/33/10/51/599331051.db2.gz SDUIYAUYZWZSMI-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737153523 599331054 /nfs/dbraw/zinc/33/10/54/599331054.db2.gz SDUIYAUYZWZSMI-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000821159459 599338062 /nfs/dbraw/zinc/33/80/62/599338062.db2.gz BXHRMCCBCFASNX-OAHLLOKOSA-N -1 3 399.520 3.762 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000821159459 599338064 /nfs/dbraw/zinc/33/80/64/599338064.db2.gz BXHRMCCBCFASNX-OAHLLOKOSA-N -1 3 399.520 3.762 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2ccccc2-c2nnn[n-]2)CC1 ZINC000819933208 599341539 /nfs/dbraw/zinc/34/15/39/599341539.db2.gz JUQFJLWTTAOYOG-UHFFFAOYSA-N -1 3 375.498 3.606 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSc2ccccc2-c2nn[n-]n2)CC1 ZINC000819933208 599341542 /nfs/dbraw/zinc/34/15/42/599341542.db2.gz JUQFJLWTTAOYOG-UHFFFAOYSA-N -1 3 375.498 3.606 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000820032675 599346030 /nfs/dbraw/zinc/34/60/30/599346030.db2.gz PLQZYLDBTVJTAV-LJQANCHMSA-N -1 3 393.516 3.568 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000820032675 599346032 /nfs/dbraw/zinc/34/60/32/599346032.db2.gz PLQZYLDBTVJTAV-LJQANCHMSA-N -1 3 393.516 3.568 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(-n2cccn2)cc1 ZINC000820449992 599356604 /nfs/dbraw/zinc/35/66/04/599356604.db2.gz FSYUPGOQBQFJFU-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(-n2cccn2)cc1 ZINC000820449992 599356606 /nfs/dbraw/zinc/35/66/06/599356606.db2.gz FSYUPGOQBQFJFU-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2occc2s1 ZINC000735831736 599371913 /nfs/dbraw/zinc/37/19/13/599371913.db2.gz UQGUOQQJULPSAA-UHFFFAOYSA-N -1 3 381.461 3.973 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2occc2s1 ZINC000735831736 599371914 /nfs/dbraw/zinc/37/19/14/599371914.db2.gz UQGUOQQJULPSAA-UHFFFAOYSA-N -1 3 381.461 3.973 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000821518274 599374099 /nfs/dbraw/zinc/37/40/99/599374099.db2.gz SLJPAOBARQOESO-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000821518274 599374102 /nfs/dbraw/zinc/37/41/02/599374102.db2.gz SLJPAOBARQOESO-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM CSCCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737182845 599379044 /nfs/dbraw/zinc/37/90/44/599379044.db2.gz RMVOGHADNWLIMJ-UHFFFAOYSA-N -1 3 383.477 3.532 20 0 GHADHM CSCCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737182845 599379047 /nfs/dbraw/zinc/37/90/47/599379047.db2.gz RMVOGHADNWLIMJ-UHFFFAOYSA-N -1 3 383.477 3.532 20 0 GHADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412587 599386056 /nfs/dbraw/zinc/38/60/56/599386056.db2.gz MCFHYSOQVMKZTL-RYUDHWBXSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412587 599386058 /nfs/dbraw/zinc/38/60/58/599386058.db2.gz MCFHYSOQVMKZTL-RYUDHWBXSA-N -1 3 395.854 3.982 20 0 GHADHM CC(C)Oc1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1-c1nnn[n-]1 ZINC000820173342 607372446 /nfs/dbraw/zinc/37/24/46/607372446.db2.gz ASHJMMWASJZIQH-UHFFFAOYSA-N -1 3 394.479 3.828 20 0 GHADHM CC(C)Oc1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1-c1nn[n-]n1 ZINC000820173342 607372448 /nfs/dbraw/zinc/37/24/48/607372448.db2.gz ASHJMMWASJZIQH-UHFFFAOYSA-N -1 3 394.479 3.828 20 0 GHADHM COc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737090368 599424944 /nfs/dbraw/zinc/42/49/44/599424944.db2.gz NJGVDAJBUBATPO-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM COc1ccc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737090368 599424945 /nfs/dbraw/zinc/42/49/45/599424945.db2.gz NJGVDAJBUBATPO-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC(C1CCCC1)C1CCCC1 ZINC000823232939 599442970 /nfs/dbraw/zinc/44/29/70/599442970.db2.gz BCTNAZRREKDSAB-UHFFFAOYSA-N -1 3 386.475 3.554 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC(C1CCCC1)C1CCCC1 ZINC000823232939 599442971 /nfs/dbraw/zinc/44/29/71/599442971.db2.gz BCTNAZRREKDSAB-UHFFFAOYSA-N -1 3 386.475 3.554 20 0 GHADHM C[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[C@H]1C ZINC000820710408 599443926 /nfs/dbraw/zinc/44/39/26/599443926.db2.gz QGXSOMBQSIVOEH-KBPBESRZSA-N -1 3 396.520 3.925 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736959763 599443943 /nfs/dbraw/zinc/44/39/43/599443943.db2.gz DHSJNRXSLUDNKN-YMTOWFKASA-N -1 3 379.251 3.757 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736959763 599443946 /nfs/dbraw/zinc/44/39/46/599443946.db2.gz DHSJNRXSLUDNKN-YMTOWFKASA-N -1 3 379.251 3.757 20 0 GHADHM COc1ccccc1-c1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821877096 599450089 /nfs/dbraw/zinc/45/00/89/599450089.db2.gz ATIWIFICLGBGQR-AWEZNQCLSA-N -1 3 375.432 3.986 20 0 GHADHM CCC(CC)(CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887639 599469201 /nfs/dbraw/zinc/46/92/01/599469201.db2.gz KDDSIDHGPIFIAM-UHFFFAOYSA-N -1 3 392.507 3.766 20 0 GHADHM CCC(CC)(CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887639 599469203 /nfs/dbraw/zinc/46/92/03/599469203.db2.gz KDDSIDHGPIFIAM-UHFFFAOYSA-N -1 3 392.507 3.766 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736236659 599472616 /nfs/dbraw/zinc/47/26/16/599472616.db2.gz SQSNBRANDCEFGB-JQWIXIFHSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736236659 599472619 /nfs/dbraw/zinc/47/26/19/599472619.db2.gz SQSNBRANDCEFGB-JQWIXIFHSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353358 599478617 /nfs/dbraw/zinc/47/86/17/599478617.db2.gz ZITUIQPBRADDLA-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353358 599478619 /nfs/dbraw/zinc/47/86/19/599478619.db2.gz ZITUIQPBRADDLA-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM CCOc1c(Cl)cc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000821389557 599485230 /nfs/dbraw/zinc/48/52/30/599485230.db2.gz OIFAWBKIQOISII-UHFFFAOYSA-N -1 3 377.807 3.679 20 0 GHADHM CCOc1c(Cl)cc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821389557 599485234 /nfs/dbraw/zinc/48/52/34/599485234.db2.gz OIFAWBKIQOISII-UHFFFAOYSA-N -1 3 377.807 3.679 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349313 599485863 /nfs/dbraw/zinc/48/58/63/599485863.db2.gz HJIDQVNDEUBKEV-SGTLLEGYSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349313 599485866 /nfs/dbraw/zinc/48/58/66/599485866.db2.gz HJIDQVNDEUBKEV-SGTLLEGYSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384601 599498725 /nfs/dbraw/zinc/49/87/25/599498725.db2.gz IVIKASNDNMBZOW-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384601 599498728 /nfs/dbraw/zinc/49/87/28/599498728.db2.gz IVIKASNDNMBZOW-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397360 599499661 /nfs/dbraw/zinc/49/96/61/599499661.db2.gz OMXHEKLJIHDQDJ-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397360 599499664 /nfs/dbraw/zinc/49/96/64/599499664.db2.gz OMXHEKLJIHDQDJ-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Oc2nccs2)c1 ZINC000738232956 599500224 /nfs/dbraw/zinc/50/02/24/599500224.db2.gz YIPVVMFSJHZIDV-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Oc2nccs2)c1 ZINC000738232956 599500225 /nfs/dbraw/zinc/50/02/25/599500225.db2.gz YIPVVMFSJHZIDV-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000822213796 599501235 /nfs/dbraw/zinc/50/12/35/599501235.db2.gz AVEKCBWSPMPAES-LLVKDONJSA-N -1 3 394.460 3.691 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000822213796 599501236 /nfs/dbraw/zinc/50/12/36/599501236.db2.gz AVEKCBWSPMPAES-LLVKDONJSA-N -1 3 394.460 3.691 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000823689714 599507004 /nfs/dbraw/zinc/50/70/04/599507004.db2.gz ISETXAMJFLRMBD-ZDUSSCGKSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000823689714 599507008 /nfs/dbraw/zinc/50/70/08/599507008.db2.gz ISETXAMJFLRMBD-ZDUSSCGKSA-N -1 3 399.760 3.564 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820533962 599532369 /nfs/dbraw/zinc/53/23/69/599532369.db2.gz IFWMHSDMJOLIDX-GJZGRUSLSA-N -1 3 379.464 3.635 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820533962 599532371 /nfs/dbraw/zinc/53/23/71/599532371.db2.gz IFWMHSDMJOLIDX-GJZGRUSLSA-N -1 3 379.464 3.635 20 0 GHADHM C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333986 599533579 /nfs/dbraw/zinc/53/35/79/599533579.db2.gz IGVSHQUVOZHYSA-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333986 599533581 /nfs/dbraw/zinc/53/35/81/599533581.db2.gz IGVSHQUVOZHYSA-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820316437 599538296 /nfs/dbraw/zinc/53/82/96/599538296.db2.gz VWEYULCFFQZEAV-RYUDHWBXSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820316437 599538299 /nfs/dbraw/zinc/53/82/99/599538299.db2.gz VWEYULCFFQZEAV-RYUDHWBXSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735978376 599539421 /nfs/dbraw/zinc/53/94/21/599539421.db2.gz VCHWUWOQSFVKDY-LLVKDONJSA-N -1 3 376.338 3.985 20 0 GHADHM C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735978376 599539423 /nfs/dbraw/zinc/53/94/23/599539423.db2.gz VCHWUWOQSFVKDY-LLVKDONJSA-N -1 3 376.338 3.985 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501177 599542378 /nfs/dbraw/zinc/54/23/78/599542378.db2.gz AEYJAVQFPRPDDR-CABCVRRESA-N -1 3 381.455 3.794 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501177 599542380 /nfs/dbraw/zinc/54/23/80/599542380.db2.gz AEYJAVQFPRPDDR-CABCVRRESA-N -1 3 381.455 3.794 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736056505 599544326 /nfs/dbraw/zinc/54/43/26/599544326.db2.gz NQQBNHHPHKMKCU-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736056505 599544329 /nfs/dbraw/zinc/54/43/29/599544329.db2.gz NQQBNHHPHKMKCU-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820716730 599550826 /nfs/dbraw/zinc/55/08/26/599550826.db2.gz KPWVMSWGSWIZSP-RHSMWYFYSA-N -1 3 397.504 3.693 20 0 GHADHM C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820716730 599550828 /nfs/dbraw/zinc/55/08/28/599550828.db2.gz KPWVMSWGSWIZSP-RHSMWYFYSA-N -1 3 397.504 3.693 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820937769 599557877 /nfs/dbraw/zinc/55/78/77/599557877.db2.gz CSIAUJDYIBDBEQ-KFNAQCHYSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820937769 599557878 /nfs/dbraw/zinc/55/78/78/599557878.db2.gz CSIAUJDYIBDBEQ-KFNAQCHYSA-N -1 3 377.876 3.833 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000737328878 599560247 /nfs/dbraw/zinc/56/02/47/599560247.db2.gz IIRAVUUUNGGQPU-FWFZHJKVSA-N -1 3 377.448 3.925 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000737328878 599560250 /nfs/dbraw/zinc/56/02/50/599560250.db2.gz IIRAVUUUNGGQPU-FWFZHJKVSA-N -1 3 377.448 3.925 20 0 GHADHM O=C(NCc1ccccc1F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124392 599563930 /nfs/dbraw/zinc/56/39/30/599563930.db2.gz QIPNDHOXHNZXKR-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM CN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C1CC1)C1CC1 ZINC000736741465 599567441 /nfs/dbraw/zinc/56/74/41/599567441.db2.gz QPBHOZIMYZZCNG-UHFFFAOYSA-N -1 3 388.475 3.871 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000738285350 599575040 /nfs/dbraw/zinc/57/50/40/599575040.db2.gz FSANGBONOTVSLF-FUHWJXTLSA-N -1 3 391.500 3.784 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000738285350 599575045 /nfs/dbraw/zinc/57/50/45/599575045.db2.gz FSANGBONOTVSLF-FUHWJXTLSA-N -1 3 391.500 3.784 20 0 GHADHM CC[C@H](SCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736390115 599599047 /nfs/dbraw/zinc/59/90/47/599599047.db2.gz GQTKPYFNXYKMNG-INIZCTEOSA-N -1 3 389.431 3.968 20 0 GHADHM CC[C@H](SCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736390115 599599049 /nfs/dbraw/zinc/59/90/49/599599049.db2.gz GQTKPYFNXYKMNG-INIZCTEOSA-N -1 3 389.431 3.968 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736364030 599601210 /nfs/dbraw/zinc/60/12/10/599601210.db2.gz PXVILMBPPHFVIU-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736364030 599601212 /nfs/dbraw/zinc/60/12/12/599601212.db2.gz PXVILMBPPHFVIU-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737336167 599601643 /nfs/dbraw/zinc/60/16/43/599601643.db2.gz YHTNBTQCAADMHI-HOTGVXAUSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737336167 599601645 /nfs/dbraw/zinc/60/16/45/599601645.db2.gz YHTNBTQCAADMHI-HOTGVXAUSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737336166 599601779 /nfs/dbraw/zinc/60/17/79/599601779.db2.gz YHTNBTQCAADMHI-CVEARBPZSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737336166 599601781 /nfs/dbraw/zinc/60/17/81/599601781.db2.gz YHTNBTQCAADMHI-CVEARBPZSA-N -1 3 378.480 3.509 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000736637524 599610292 /nfs/dbraw/zinc/61/02/92/599610292.db2.gz RJLLQMVMBMPOOU-OAHLLOKOSA-N -1 3 394.479 3.669 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000736637524 599610294 /nfs/dbraw/zinc/61/02/94/599610294.db2.gz RJLLQMVMBMPOOU-OAHLLOKOSA-N -1 3 394.479 3.669 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 ZINC000737062642 599610994 /nfs/dbraw/zinc/61/09/94/599610994.db2.gz LBCATCPYSJGFGE-MRXNPFEDSA-N -1 3 396.451 3.926 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 ZINC000737062642 599610996 /nfs/dbraw/zinc/61/09/96/599610996.db2.gz LBCATCPYSJGFGE-MRXNPFEDSA-N -1 3 396.451 3.926 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820488435 599621349 /nfs/dbraw/zinc/62/13/49/599621349.db2.gz OCDOSGDQQCWIFF-JLVNDZCYSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820488435 599621350 /nfs/dbraw/zinc/62/13/50/599621350.db2.gz OCDOSGDQQCWIFF-JLVNDZCYSA-N -1 3 383.477 3.938 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1SCCc2ccccc21 ZINC000823387823 599628966 /nfs/dbraw/zinc/62/89/66/599628966.db2.gz ZKQLQADJEPGDNO-MRXNPFEDSA-N -1 3 397.529 3.776 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1SCCc2ccccc21 ZINC000823387823 599628967 /nfs/dbraw/zinc/62/89/67/599628967.db2.gz ZKQLQADJEPGDNO-MRXNPFEDSA-N -1 3 397.529 3.776 20 0 GHADHM Cn1c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc2cc(C(F)(F)F)ccc21 ZINC000822595653 599628972 /nfs/dbraw/zinc/62/89/72/599628972.db2.gz BBXHPWSENXEITJ-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM Cn1c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc2cc(C(F)(F)F)ccc21 ZINC000822595653 599628973 /nfs/dbraw/zinc/62/89/73/599628973.db2.gz BBXHPWSENXEITJ-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(-c2cscn2)c1 ZINC000823309375 599629943 /nfs/dbraw/zinc/62/99/43/599629943.db2.gz XRIDCVHMTIHRJK-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(-c2cscn2)c1 ZINC000823309375 599629944 /nfs/dbraw/zinc/62/99/44/599629944.db2.gz XRIDCVHMTIHRJK-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM CCOc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821427417 599631863 /nfs/dbraw/zinc/63/18/63/599631863.db2.gz SEDNWOZDDIFCPI-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM CCOc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821427417 599631864 /nfs/dbraw/zinc/63/18/64/599631864.db2.gz SEDNWOZDDIFCPI-UHFFFAOYSA-N -1 3 377.326 3.537 20 0 GHADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000822263337 599632781 /nfs/dbraw/zinc/63/27/81/599632781.db2.gz MVBAEUMPRZGUPO-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000822263337 599632782 /nfs/dbraw/zinc/63/27/82/599632782.db2.gz MVBAEUMPRZGUPO-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cc(F)cc1F ZINC000823303558 599633478 /nfs/dbraw/zinc/63/34/78/599633478.db2.gz MWLIYQYYQBELPU-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cc(F)cc1F ZINC000823303558 599633479 /nfs/dbraw/zinc/63/34/79/599633479.db2.gz MWLIYQYYQBELPU-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(C)noc1C ZINC000820841807 599633640 /nfs/dbraw/zinc/63/36/40/599633640.db2.gz FCEIOTDGENAKHO-LLVKDONJSA-N -1 3 394.357 3.623 20 0 GHADHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(C)noc1C ZINC000820841807 599633641 /nfs/dbraw/zinc/63/36/41/599633641.db2.gz FCEIOTDGENAKHO-LLVKDONJSA-N -1 3 394.357 3.623 20 0 GHADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822328932 599634890 /nfs/dbraw/zinc/63/48/90/599634890.db2.gz VUCFSIQPRBTUMD-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822328932 599634891 /nfs/dbraw/zinc/63/48/91/599634891.db2.gz VUCFSIQPRBTUMD-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM CC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000820925109 599635561 /nfs/dbraw/zinc/63/55/61/599635561.db2.gz DMUYUHLILCVYMI-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000820925109 599635562 /nfs/dbraw/zinc/63/55/62/599635562.db2.gz DMUYUHLILCVYMI-INIZCTEOSA-N -1 3 395.854 3.811 20 0 GHADHM CC(C)(NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000819991754 599637041 /nfs/dbraw/zinc/63/70/41/599637041.db2.gz LQNDCWNUSUICPW-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM CC(C)(NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000819991754 599637042 /nfs/dbraw/zinc/63/70/42/599637042.db2.gz LQNDCWNUSUICPW-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822034593 599657368 /nfs/dbraw/zinc/65/73/68/599657368.db2.gz IDTGMQDDBLKDSL-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822034593 599657369 /nfs/dbraw/zinc/65/73/69/599657369.db2.gz IDTGMQDDBLKDSL-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000820117104 599677750 /nfs/dbraw/zinc/67/77/50/599677750.db2.gz VFFZLIWPXMMRIS-NZSAHSFTSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000820117104 599677751 /nfs/dbraw/zinc/67/77/51/599677751.db2.gz VFFZLIWPXMMRIS-NZSAHSFTSA-N -1 3 382.512 3.756 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233106 599680751 /nfs/dbraw/zinc/68/07/51/599680751.db2.gz IBPSPOQRYMKSSM-RHSMWYFYSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233106 599680752 /nfs/dbraw/zinc/68/07/52/599680752.db2.gz IBPSPOQRYMKSSM-RHSMWYFYSA-N -1 3 380.452 3.766 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340261 599680804 /nfs/dbraw/zinc/68/08/04/599680804.db2.gz JFMMPLHEPHSVTH-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340261 599680805 /nfs/dbraw/zinc/68/08/05/599680805.db2.gz JFMMPLHEPHSVTH-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM CO[C@@]1(C)C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678384 599689671 /nfs/dbraw/zinc/68/96/71/599689671.db2.gz NCOSDJPPRYLVRH-BEFAXECRSA-N -1 3 384.509 3.647 20 0 GHADHM CO[C@@]1(C)C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678384 599689672 /nfs/dbraw/zinc/68/96/72/599689672.db2.gz NCOSDJPPRYLVRH-BEFAXECRSA-N -1 3 384.509 3.647 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cccc4cnccc43)c2-c2nnn[n-]2)C1 ZINC000820733474 599689865 /nfs/dbraw/zinc/68/98/65/599689865.db2.gz GGCLKJWQLPLDKC-NSHDSACASA-N -1 3 390.472 3.854 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cccc4cnccc43)c2-c2nn[n-]n2)C1 ZINC000820733474 599689866 /nfs/dbraw/zinc/68/98/66/599689866.db2.gz GGCLKJWQLPLDKC-NSHDSACASA-N -1 3 390.472 3.854 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096672 599690243 /nfs/dbraw/zinc/69/02/43/599690243.db2.gz FDQXDEANHZHHJU-HNNXBMFYSA-N -1 3 399.499 3.646 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000820096350 599691404 /nfs/dbraw/zinc/69/14/04/599691404.db2.gz ATZYAJZQQFLRMU-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000820096350 599691405 /nfs/dbraw/zinc/69/14/05/599691405.db2.gz ATZYAJZQQFLRMU-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1Cl ZINC000822323840 599691582 /nfs/dbraw/zinc/69/15/82/599691582.db2.gz OZFIBOBRPSCZAL-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1Cl ZINC000822323840 599691583 /nfs/dbraw/zinc/69/15/83/599691583.db2.gz OZFIBOBRPSCZAL-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1CCC(=O)CC1 ZINC000822211480 599698000 /nfs/dbraw/zinc/69/80/00/599698000.db2.gz AMRPMSVVRACFTO-UHFFFAOYSA-N -1 3 391.431 3.665 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1CCC(=O)CC1 ZINC000822211480 599698001 /nfs/dbraw/zinc/69/80/01/599698001.db2.gz AMRPMSVVRACFTO-UHFFFAOYSA-N -1 3 391.431 3.665 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820174233 607400809 /nfs/dbraw/zinc/40/08/09/607400809.db2.gz PIVQLOFPQKLCHO-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820174233 607400810 /nfs/dbraw/zinc/40/08/10/607400810.db2.gz PIVQLOFPQKLCHO-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM CC[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C)cc1 ZINC000825080562 607415461 /nfs/dbraw/zinc/41/54/61/607415461.db2.gz AKYRGVAAQIEJJX-MRXNPFEDSA-N -1 3 375.476 3.864 20 0 GHADHM CC[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C)cc1 ZINC000825080562 607415464 /nfs/dbraw/zinc/41/54/64/607415464.db2.gz AKYRGVAAQIEJJX-MRXNPFEDSA-N -1 3 375.476 3.864 20 0 GHADHM CN(CCc1ccc(Br)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000737448332 600078295 /nfs/dbraw/zinc/07/82/95/600078295.db2.gz JIGVOUDTCIVDQL-UHFFFAOYSA-N -1 3 388.265 3.629 20 0 GHADHM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000737079867 600090336 /nfs/dbraw/zinc/09/03/36/600090336.db2.gz UVOVKFALKKIZJR-MJGOQNOKSA-N -1 3 397.519 3.670 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822229463 607428716 /nfs/dbraw/zinc/42/87/16/607428716.db2.gz VHUYALDDFUYTIY-LBPRGKRZSA-N -1 3 386.481 3.907 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822229463 607428718 /nfs/dbraw/zinc/42/87/18/607428718.db2.gz VHUYALDDFUYTIY-LBPRGKRZSA-N -1 3 386.481 3.907 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000736465454 600221532 /nfs/dbraw/zinc/22/15/32/600221532.db2.gz GIJWOCMBYUFMDY-NRFANRHFSA-N -1 3 388.895 3.731 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3[C@H]2C)cc1-c1nnn[n-]1 ZINC000820166638 607430883 /nfs/dbraw/zinc/43/08/83/607430883.db2.gz YNSWIPTTXZHLRZ-CYBMUJFWSA-N -1 3 378.436 3.763 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3[C@H]2C)cc1-c1nn[n-]n1 ZINC000820166638 607430884 /nfs/dbraw/zinc/43/08/84/607430884.db2.gz YNSWIPTTXZHLRZ-CYBMUJFWSA-N -1 3 378.436 3.763 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl ZINC000826249750 607431985 /nfs/dbraw/zinc/43/19/85/607431985.db2.gz SKNURYCRRFYWSA-UHFFFAOYSA-N -1 3 399.838 3.646 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl ZINC000826249750 607431987 /nfs/dbraw/zinc/43/19/87/607431987.db2.gz SKNURYCRRFYWSA-UHFFFAOYSA-N -1 3 399.838 3.646 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000824040634 607432994 /nfs/dbraw/zinc/43/29/94/607432994.db2.gz ROQGIMJEYYMQAR-LLVKDONJSA-N -1 3 375.354 3.652 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000824040634 607432996 /nfs/dbraw/zinc/43/29/96/607432996.db2.gz ROQGIMJEYYMQAR-LLVKDONJSA-N -1 3 375.354 3.652 20 0 GHADHM CN(C(=O)COc1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820593 607435563 /nfs/dbraw/zinc/43/55/63/607435563.db2.gz LXJJRYGBNTURHD-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)COc1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820593 607435565 /nfs/dbraw/zinc/43/55/65/607435565.db2.gz LXJJRYGBNTURHD-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM O=C([O-])c1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1F ZINC000739403192 600384694 /nfs/dbraw/zinc/38/46/94/600384694.db2.gz FZAUIMBSVWBHNI-OAHLLOKOSA-N -1 3 377.441 3.544 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000739515431 600399498 /nfs/dbraw/zinc/39/94/98/600399498.db2.gz IGEDEWNDHSBZMW-KRWDZBQOSA-N -1 3 398.850 3.790 20 0 GHADHM CC(C)(C)CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736248636 600405285 /nfs/dbraw/zinc/40/52/85/600405285.db2.gz MMEWCMRHLJRXQD-UHFFFAOYSA-N -1 3 399.438 3.572 20 0 GHADHM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000389287911 600513560 /nfs/dbraw/zinc/51/35/60/600513560.db2.gz CIVVYTMFTRGHDB-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)s1 ZINC000826261709 607450582 /nfs/dbraw/zinc/45/05/82/607450582.db2.gz OZPXGVLXTWRRCZ-GFCCVEGCSA-N -1 3 382.493 3.595 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)s1 ZINC000826261709 607450584 /nfs/dbraw/zinc/45/05/84/607450584.db2.gz OZPXGVLXTWRRCZ-GFCCVEGCSA-N -1 3 382.493 3.595 20 0 GHADHM Cc1cc(C)cc([C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)c2cccnc2)c1 ZINC000822196825 607480430 /nfs/dbraw/zinc/48/04/30/607480430.db2.gz YBFUZPMDADTOCV-NRFANRHFSA-N -1 3 388.450 3.897 20 0 GHADHM Cc1cc(C)cc([C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2cccnc2)c1 ZINC000822196825 607480433 /nfs/dbraw/zinc/48/04/33/607480433.db2.gz YBFUZPMDADTOCV-NRFANRHFSA-N -1 3 388.450 3.897 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820294508 607494378 /nfs/dbraw/zinc/49/43/78/607494378.db2.gz UDXSPVHUSAJIJG-LBPRGKRZSA-N -1 3 399.545 3.925 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820294508 607494379 /nfs/dbraw/zinc/49/43/79/607494379.db2.gz UDXSPVHUSAJIJG-LBPRGKRZSA-N -1 3 399.545 3.925 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@H](NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000832258270 601369234 /nfs/dbraw/zinc/36/92/34/601369234.db2.gz HLEJLZUKSNMOEP-HXUWFJFHSA-N -1 3 396.487 3.918 20 0 GHADHM CC[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000828939199 601651752 /nfs/dbraw/zinc/65/17/52/601651752.db2.gz AASUGJDORDOUFH-ADLFWFRXSA-N -1 3 388.895 3.959 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000830924002 601724299 /nfs/dbraw/zinc/72/42/99/601724299.db2.gz YOANEOIGAXFWQU-UHFFFAOYSA-N -1 3 396.491 3.583 20 0 GHADHM O=C([O-])c1sccc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000833141476 601822013 /nfs/dbraw/zinc/82/20/13/601822013.db2.gz VFMONCFGBPKIQG-CYBMUJFWSA-N -1 3 391.468 3.619 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830811120 601899492 /nfs/dbraw/zinc/89/94/92/601899492.db2.gz NJIPAXABZRMGKJ-GOSISDBHSA-N -1 3 375.350 3.547 20 0 GHADHM COc1ccc(CSCc2noc(C3CCCCC3)n2)cc1-c1nnn[n-]1 ZINC000826207911 607536409 /nfs/dbraw/zinc/53/64/09/607536409.db2.gz KDAZPIRMPDETBZ-UHFFFAOYSA-N -1 3 386.481 3.739 20 0 GHADHM COc1ccc(CSCc2noc(C3CCCCC3)n2)cc1-c1nn[n-]n1 ZINC000826207911 607536410 /nfs/dbraw/zinc/53/64/10/607536410.db2.gz KDAZPIRMPDETBZ-UHFFFAOYSA-N -1 3 386.481 3.739 20 0 GHADHM CCc1ncsc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825754509 607538792 /nfs/dbraw/zinc/53/87/92/607538792.db2.gz AMSHWTRPBUDNCZ-UHFFFAOYSA-N -1 3 396.501 3.544 20 0 GHADHM Fc1cccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2cccc(Cl)c2)c1 ZINC000826376488 607552748 /nfs/dbraw/zinc/55/27/48/607552748.db2.gz GFPASDZEAXRIKJ-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1cccc([C@H](NCc2ccnc(-c3nn[n-]n3)c2)c2cccc(Cl)c2)c1 ZINC000826376488 607552749 /nfs/dbraw/zinc/55/27/49/607552749.db2.gz GFPASDZEAXRIKJ-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000740469495 602281761 /nfs/dbraw/zinc/28/17/61/602281761.db2.gz GOUBBZLVBQENRN-LJQANCHMSA-N -1 3 394.475 3.686 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828901618 602344622 /nfs/dbraw/zinc/34/46/22/602344622.db2.gz YCZRFMDMASDPAV-QGZVFWFLSA-N -1 3 379.460 3.877 20 0 GHADHM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312646629 602362575 /nfs/dbraw/zinc/36/25/75/602362575.db2.gz DYVJLOMPGHKBDC-INIZCTEOSA-N -1 3 387.867 3.776 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832979794 602381941 /nfs/dbraw/zinc/38/19/41/602381941.db2.gz SBIXBPNCCCERST-UHFFFAOYSA-N -1 3 385.439 3.572 20 0 GHADHM CC(C)CN(C(=O)c1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255163 607577189 /nfs/dbraw/zinc/57/71/89/607577189.db2.gz AYALXCYUKSVOBM-UHFFFAOYSA-N -1 3 375.354 3.587 20 0 GHADHM CC(C)CN(C(=O)c1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255163 607577191 /nfs/dbraw/zinc/57/71/91/607577191.db2.gz AYALXCYUKSVOBM-UHFFFAOYSA-N -1 3 375.354 3.587 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000740247435 602648845 /nfs/dbraw/zinc/64/88/45/602648845.db2.gz UILOZOBAKGKDGC-UHFFFAOYSA-N -1 3 383.279 3.720 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000740704800 603033150 /nfs/dbraw/zinc/03/31/50/603033150.db2.gz FHUCIISXRCGUIW-GOSISDBHSA-N -1 3 386.427 3.874 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000740697659 603214058 /nfs/dbraw/zinc/21/40/58/603214058.db2.gz GWPGOGGVBSEWKM-UHFFFAOYSA-N -1 3 387.867 3.824 20 0 GHADHM CCc1ncsc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825754729 607621713 /nfs/dbraw/zinc/62/17/13/607621713.db2.gz GCODKZVCWSCLTQ-UHFFFAOYSA-N -1 3 385.497 3.576 20 0 GHADHM CCc1ncsc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825754729 607621716 /nfs/dbraw/zinc/62/17/16/607621716.db2.gz GCODKZVCWSCLTQ-UHFFFAOYSA-N -1 3 385.497 3.576 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCC(=O)c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000826263609 607657192 /nfs/dbraw/zinc/65/71/92/607657192.db2.gz JSCTYDLRAKUDLD-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCC(=O)c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826263609 607657193 /nfs/dbraw/zinc/65/71/93/607657193.db2.gz JSCTYDLRAKUDLD-UHFFFAOYSA-N -1 3 392.444 3.509 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825313309 607659333 /nfs/dbraw/zinc/65/93/33/607659333.db2.gz AFPUSKOERZOLTG-IAGOWNOFSA-N -1 3 381.505 3.779 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000825313309 607659336 /nfs/dbraw/zinc/65/93/36/607659336.db2.gz AFPUSKOERZOLTG-IAGOWNOFSA-N -1 3 381.505 3.779 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000826244273 607662073 /nfs/dbraw/zinc/66/20/73/607662073.db2.gz MNMULCWRPXRBKK-UHFFFAOYSA-N -1 3 379.445 3.672 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000826244273 607662075 /nfs/dbraw/zinc/66/20/75/607662075.db2.gz MNMULCWRPXRBKK-UHFFFAOYSA-N -1 3 379.445 3.672 20 0 GHADHM CCN(Cc1ccccc1NC(=O)N(CCN(C)C)C1CCCC1)C(=O)[O-] ZINC000827181823 604089056 /nfs/dbraw/zinc/08/90/56/604089056.db2.gz AFOILBMSVYHMNM-UHFFFAOYSA-N -1 3 376.501 3.525 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826451506 607674221 /nfs/dbraw/zinc/67/42/21/607674221.db2.gz JOGYJIXKZOGOHS-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1cc(Cl)ccc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826451506 607674223 /nfs/dbraw/zinc/67/42/23/607674223.db2.gz JOGYJIXKZOGOHS-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000826244212 607675483 /nfs/dbraw/zinc/67/54/83/607675483.db2.gz KQHCXIXWWDAXJM-UHFFFAOYSA-N -1 3 375.476 3.803 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000826244212 607675485 /nfs/dbraw/zinc/67/54/85/607675485.db2.gz KQHCXIXWWDAXJM-UHFFFAOYSA-N -1 3 375.476 3.803 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n(-c2ccc(Cl)cc2)n1 ZINC000826271037 607681081 /nfs/dbraw/zinc/68/10/81/607681081.db2.gz ZGXPWVIEJYBRAR-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n(-c2ccc(Cl)cc2)n1 ZINC000826271037 607681083 /nfs/dbraw/zinc/68/10/83/607681083.db2.gz ZGXPWVIEJYBRAR-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC2 ZINC000833772191 604648102 /nfs/dbraw/zinc/64/81/02/604648102.db2.gz ZOXXCRDVRXZAMN-IRXDYDNUSA-N -1 3 379.884 3.585 20 0 GHADHM Cc1cc(CSc2cc(-c3nnn[n-]3)ccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267397 607711849 /nfs/dbraw/zinc/71/18/49/607711849.db2.gz DCWSBTWMJRIXOC-UHFFFAOYSA-N -1 3 395.879 3.973 20 0 GHADHM Cc1cc(CSc2cc(-c3nn[n-]n3)ccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000826267397 607711851 /nfs/dbraw/zinc/71/18/51/607711851.db2.gz DCWSBTWMJRIXOC-UHFFFAOYSA-N -1 3 395.879 3.973 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000833651765 604771264 /nfs/dbraw/zinc/77/12/64/604771264.db2.gz ZCCHISAMRCUZEC-UHFFFAOYSA-N -1 3 386.517 3.963 20 0 GHADHM CC[C@@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(OC)cc1 ZINC000825081528 607714856 /nfs/dbraw/zinc/71/48/56/607714856.db2.gz KVAQMZMILYYQHA-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(OC)cc1 ZINC000825081528 607714859 /nfs/dbraw/zinc/71/48/59/607714859.db2.gz KVAQMZMILYYQHA-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833408636 604949757 /nfs/dbraw/zinc/94/97/57/604949757.db2.gz HJBFCBLMIFXOFM-OCCSQVGLSA-N -1 3 386.414 3.855 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000833421565 604954170 /nfs/dbraw/zinc/95/41/70/604954170.db2.gz RUGKIKONVSLJOI-CTNGQTDRSA-N -1 3 386.536 3.857 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826464818 607725911 /nfs/dbraw/zinc/72/59/11/607725911.db2.gz NPKPNJBACZKOSC-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826464818 607725913 /nfs/dbraw/zinc/72/59/13/607725913.db2.gz NPKPNJBACZKOSC-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(C(=O)[O-])cc3F)C2)CC1 ZINC000833437267 605019807 /nfs/dbraw/zinc/01/98/07/605019807.db2.gz QPKRGFDDDMOREO-UHFFFAOYSA-N -1 3 392.471 3.747 20 0 GHADHM O=C([O-])N1CCC(N(Cc2nc3cc(C(F)(F)F)ccc3o2)C2CC2)CC1 ZINC000831942234 605152641 /nfs/dbraw/zinc/15/26/41/605152641.db2.gz OYIZFWQKNQEKBV-UHFFFAOYSA-N -1 3 383.370 3.953 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000833411892 605174905 /nfs/dbraw/zinc/17/49/05/605174905.db2.gz FHRNBQSCDFMPAX-QGZVFWFLSA-N -1 3 395.908 3.555 20 0 GHADHM CCN(Cc1nc(C(F)(F)F)cs1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443265 607738890 /nfs/dbraw/zinc/73/88/90/607738890.db2.gz BALFMXBHWMVRFE-SNVBAGLBSA-N -1 3 382.415 3.925 20 0 GHADHM CCN(Cc1nc(C(F)(F)F)cs1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443265 607738891 /nfs/dbraw/zinc/73/88/91/607738891.db2.gz BALFMXBHWMVRFE-SNVBAGLBSA-N -1 3 382.415 3.925 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 ZINC000833414941 605180977 /nfs/dbraw/zinc/18/09/77/605180977.db2.gz TUXYNTKCXAVKGR-KRWDZBQOSA-N -1 3 399.472 3.783 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000833416171 605181206 /nfs/dbraw/zinc/18/12/06/605181206.db2.gz ZUJRJWGXYIBVSE-KRWDZBQOSA-N -1 3 378.831 3.859 20 0 GHADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCSc1cc(Cl)ccc1Cl ZINC000833629434 605189220 /nfs/dbraw/zinc/18/92/20/605189220.db2.gz WHQWCXCZLYYKNE-GFCCVEGCSA-N -1 3 377.337 3.566 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833550305 605282004 /nfs/dbraw/zinc/28/20/04/605282004.db2.gz WDSDJLDWMWNMSW-BBRMVZONSA-N -1 3 386.427 3.873 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2I)C1 ZINC000833418779 605549330 /nfs/dbraw/zinc/54/93/30/605549330.db2.gz ALGLDVLZMMMPIZ-CYBMUJFWSA-N -1 3 387.261 3.614 20 0 GHADHM CCCCSCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825296390 607771165 /nfs/dbraw/zinc/77/11/65/607771165.db2.gz GZRWPSDZYMVANS-UHFFFAOYSA-N -1 3 388.522 3.852 20 0 GHADHM CCCCSCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296390 607771166 /nfs/dbraw/zinc/77/11/66/607771166.db2.gz GZRWPSDZYMVANS-UHFFFAOYSA-N -1 3 388.522 3.852 20 0 GHADHM COc1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OCCC(C)C ZINC000821708414 606050237 /nfs/dbraw/zinc/05/02/37/606050237.db2.gz PJKODYXDHXPFFT-CQSZACIVSA-N -1 3 382.468 3.868 20 0 GHADHM COc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OCCC(C)C ZINC000821708414 606050242 /nfs/dbraw/zinc/05/02/42/606050242.db2.gz PJKODYXDHXPFFT-CQSZACIVSA-N -1 3 382.468 3.868 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000819867456 606102872 /nfs/dbraw/zinc/10/28/72/606102872.db2.gz SDUWGFKPBGVDSI-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000819867456 606102873 /nfs/dbraw/zinc/10/28/73/606102873.db2.gz SDUWGFKPBGVDSI-SECBINFHSA-N -1 3 394.237 3.733 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000821762724 606115533 /nfs/dbraw/zinc/11/55/33/606115533.db2.gz PMPUGNRSGUEUBN-KZULUSFZSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000821762724 606115534 /nfs/dbraw/zinc/11/55/34/606115534.db2.gz PMPUGNRSGUEUBN-KZULUSFZSA-N -1 3 396.426 3.629 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822280652 606122732 /nfs/dbraw/zinc/12/27/32/606122732.db2.gz UZZRMGBIHNVFMY-UHFFFAOYSA-N -1 3 384.443 3.877 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822280652 606122733 /nfs/dbraw/zinc/12/27/33/606122733.db2.gz UZZRMGBIHNVFMY-UHFFFAOYSA-N -1 3 384.443 3.877 20 0 GHADHM COc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000821911034 606147922 /nfs/dbraw/zinc/14/79/22/606147922.db2.gz LWLOASPHQOHJII-UHFFFAOYSA-N -1 3 389.506 3.910 20 0 GHADHM COc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000821911034 606147924 /nfs/dbraw/zinc/14/79/24/606147924.db2.gz LWLOASPHQOHJII-UHFFFAOYSA-N -1 3 389.506 3.910 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822028747 606157043 /nfs/dbraw/zinc/15/70/43/606157043.db2.gz RRZCSKRDZOSKFA-UHFFFAOYSA-N -1 3 394.479 3.541 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822028747 606157045 /nfs/dbraw/zinc/15/70/45/606157045.db2.gz RRZCSKRDZOSKFA-UHFFFAOYSA-N -1 3 394.479 3.541 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821843096 606174564 /nfs/dbraw/zinc/17/45/64/606174564.db2.gz YSYIYYKMHGHHNG-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821843096 606174565 /nfs/dbraw/zinc/17/45/65/606174565.db2.gz YSYIYYKMHGHHNG-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM O=[S@](Cc1csc(C2CCCCC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823613877 606180305 /nfs/dbraw/zinc/18/03/05/606180305.db2.gz KXFVFTBPWNGLQP-SANMLTNESA-N -1 3 387.534 3.820 20 0 GHADHM O=[S@](Cc1csc(C2CCCCC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823613877 606180306 /nfs/dbraw/zinc/18/03/06/606180306.db2.gz KXFVFTBPWNGLQP-SANMLTNESA-N -1 3 387.534 3.820 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000822419173 606183075 /nfs/dbraw/zinc/18/30/75/606183075.db2.gz NBHVBZMCZZMMPT-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000822419173 606183076 /nfs/dbraw/zinc/18/30/76/606183076.db2.gz NBHVBZMCZZMMPT-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000822362464 606195722 /nfs/dbraw/zinc/19/57/22/606195722.db2.gz USTKTBMOEZDPNX-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000822362464 606195723 /nfs/dbraw/zinc/19/57/23/606195723.db2.gz USTKTBMOEZDPNX-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@H]1Cc1ccccc1 ZINC000823492982 606197611 /nfs/dbraw/zinc/19/76/11/606197611.db2.gz BZMAUOSPHCTXDS-SFHVURJKSA-N -1 3 395.466 3.991 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@H]1Cc1ccccc1 ZINC000823492982 606197613 /nfs/dbraw/zinc/19/76/13/606197613.db2.gz BZMAUOSPHCTXDS-SFHVURJKSA-N -1 3 395.466 3.991 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822206013 606223332 /nfs/dbraw/zinc/22/33/32/606223332.db2.gz RCBVJIGBAMZVDN-MOPGFXCFSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000822206013 606223333 /nfs/dbraw/zinc/22/33/33/606223333.db2.gz RCBVJIGBAMZVDN-MOPGFXCFSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cccc(CN(Cc2cccc(C)n2)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000822303535 606227523 /nfs/dbraw/zinc/22/75/23/606227523.db2.gz DVQDZBXVQIDLJJ-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM Cc1cccc(CN(Cc2cccc(C)n2)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000822303535 606227524 /nfs/dbraw/zinc/22/75/24/606227524.db2.gz DVQDZBXVQIDLJJ-UHFFFAOYSA-N -1 3 389.438 3.619 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@H]1C[C@H]1C1CC1 ZINC000823350556 606246295 /nfs/dbraw/zinc/24/62/95/606246295.db2.gz RDDRZESDWBOJQP-IRXDYDNUSA-N -1 3 393.422 3.569 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@H]1C[C@H]1C1CC1 ZINC000823350556 606246296 /nfs/dbraw/zinc/24/62/96/606246296.db2.gz RDDRZESDWBOJQP-IRXDYDNUSA-N -1 3 393.422 3.569 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823488875 606279828 /nfs/dbraw/zinc/27/98/28/606279828.db2.gz WYCBBNBSDDZTOI-WMLDXEAASA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823488875 606279829 /nfs/dbraw/zinc/27/98/29/606279829.db2.gz WYCBBNBSDDZTOI-WMLDXEAASA-N -1 3 377.473 3.642 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cccc(OC)c2o1 ZINC000821123221 606282027 /nfs/dbraw/zinc/28/20/27/606282027.db2.gz NFTIPSPSLIFIPM-UHFFFAOYSA-N -1 3 392.419 3.696 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640333 606298480 /nfs/dbraw/zinc/29/84/80/606298480.db2.gz GIRJQXIIPXMRFG-IFXJQAMLSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640333 606298481 /nfs/dbraw/zinc/29/84/81/606298481.db2.gz GIRJQXIIPXMRFG-IFXJQAMLSA-N -1 3 379.464 3.555 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823366926 606314263 /nfs/dbraw/zinc/31/42/63/606314263.db2.gz AIOFNNWDKZBURO-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823366926 606314264 /nfs/dbraw/zinc/31/42/64/606314264.db2.gz AIOFNNWDKZBURO-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000823467563 606319102 /nfs/dbraw/zinc/31/91/02/606319102.db2.gz XHXJWKKUXQFSTE-HNNXBMFYSA-N -1 3 390.369 3.581 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000823467563 606319104 /nfs/dbraw/zinc/31/91/04/606319104.db2.gz XHXJWKKUXQFSTE-HNNXBMFYSA-N -1 3 390.369 3.581 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339307 606342548 /nfs/dbraw/zinc/34/25/48/606342548.db2.gz BMXJUNFGPQKLKQ-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339307 606342550 /nfs/dbraw/zinc/34/25/50/606342550.db2.gz BMXJUNFGPQKLKQ-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](OC(=O)c1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506572 606347812 /nfs/dbraw/zinc/34/78/12/606347812.db2.gz BLUCDNYDUNLUNZ-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506572 606347815 /nfs/dbraw/zinc/34/78/15/606347815.db2.gz BLUCDNYDUNLUNZ-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822274937 606350763 /nfs/dbraw/zinc/35/07/63/606350763.db2.gz LYPMLXBJGYAASI-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822274937 606350765 /nfs/dbraw/zinc/35/07/65/606350765.db2.gz LYPMLXBJGYAASI-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351859 606352478 /nfs/dbraw/zinc/35/24/78/606352478.db2.gz RPOZPXSQVROZEJ-KBPBESRZSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351859 606352476 /nfs/dbraw/zinc/35/24/76/606352476.db2.gz RPOZPXSQVROZEJ-KBPBESRZSA-N -1 3 380.427 3.724 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823220034 606358026 /nfs/dbraw/zinc/35/80/26/606358026.db2.gz XHCFSWDXCKUXHJ-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823220034 606358028 /nfs/dbraw/zinc/35/80/28/606358028.db2.gz XHCFSWDXCKUXHJ-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM Cc1nc(CC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000822436759 606360802 /nfs/dbraw/zinc/36/08/02/606360802.db2.gz QMERGKAJSVJHBP-UHFFFAOYSA-N -1 3 393.428 3.572 20 0 GHADHM Cc1nc(CC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000822436759 606360804 /nfs/dbraw/zinc/36/08/04/606360804.db2.gz QMERGKAJSVJHBP-UHFFFAOYSA-N -1 3 393.428 3.572 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821014296 606367594 /nfs/dbraw/zinc/36/75/94/606367594.db2.gz DETVQNHTKLUCHK-HUUCEWRRSA-N -1 3 379.464 3.606 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821014296 606367595 /nfs/dbraw/zinc/36/75/95/606367595.db2.gz DETVQNHTKLUCHK-HUUCEWRRSA-N -1 3 379.464 3.606 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225503 606396290 /nfs/dbraw/zinc/39/62/90/606396290.db2.gz JYEHLXGBRVEMPT-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225503 606396291 /nfs/dbraw/zinc/39/62/91/606396291.db2.gz JYEHLXGBRVEMPT-STQMWFEESA-N -1 3 382.395 3.519 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417260 606398101 /nfs/dbraw/zinc/39/81/01/606398101.db2.gz KIMKKYCLZPWRCQ-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417260 606398103 /nfs/dbraw/zinc/39/81/03/606398103.db2.gz KIMKKYCLZPWRCQ-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1NC(=O)C(C)(C)C ZINC000822254184 606458699 /nfs/dbraw/zinc/45/86/99/606458699.db2.gz CCJCOZDZGSVWQX-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1NC(=O)C(C)(C)C ZINC000822254184 606458700 /nfs/dbraw/zinc/45/87/00/606458700.db2.gz CCJCOZDZGSVWQX-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM CCCCc1nc(-c2cccc(OC(=O)c3cc(-c4nnn[n-]4)cs3)c2)no1 ZINC000821077385 606462906 /nfs/dbraw/zinc/46/29/06/606462906.db2.gz CYPWWNNAPVAZMO-UHFFFAOYSA-N -1 3 396.432 3.540 20 0 GHADHM CCCCc1nc(-c2cccc(OC(=O)c3cc(-c4nn[n-]n4)cs3)c2)no1 ZINC000821077385 606462908 /nfs/dbraw/zinc/46/29/08/606462908.db2.gz CYPWWNNAPVAZMO-UHFFFAOYSA-N -1 3 396.432 3.540 20 0 GHADHM O=C(Nc1ccc(Br)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823323563 606480880 /nfs/dbraw/zinc/48/08/80/606480880.db2.gz UBXJWWMXFUSBCD-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Br)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823323563 606480882 /nfs/dbraw/zinc/48/08/82/606480882.db2.gz UBXJWWMXFUSBCD-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000823108708 606490864 /nfs/dbraw/zinc/49/08/64/606490864.db2.gz PNBRIXGVONAIQX-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000823108708 606490866 /nfs/dbraw/zinc/49/08/66/606490866.db2.gz PNBRIXGVONAIQX-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000820087045 606492142 /nfs/dbraw/zinc/49/21/42/606492142.db2.gz JYTGMIYPQYUHMZ-UHFFFAOYSA-N -1 3 389.503 3.874 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000820087045 606492143 /nfs/dbraw/zinc/49/21/43/606492143.db2.gz JYTGMIYPQYUHMZ-UHFFFAOYSA-N -1 3 389.503 3.874 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822304503 606492384 /nfs/dbraw/zinc/49/23/84/606492384.db2.gz ZLCUDVYYZUESLH-UHFFFAOYSA-N -1 3 379.445 3.672 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822304503 606492386 /nfs/dbraw/zinc/49/23/86/606492386.db2.gz ZLCUDVYYZUESLH-UHFFFAOYSA-N -1 3 379.445 3.672 20 0 GHADHM O=C(CCC1CCC1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822950738 606510537 /nfs/dbraw/zinc/51/05/37/606510537.db2.gz ZZCSTCNOIKYHEG-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(CCC1CCC1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822950738 606510538 /nfs/dbraw/zinc/51/05/38/606510538.db2.gz ZZCSTCNOIKYHEG-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000820115879 606537323 /nfs/dbraw/zinc/53/73/23/606537323.db2.gz AMSVBICYPLTKEC-GQCTYLIASA-N -1 3 379.439 3.846 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000820115879 606537325 /nfs/dbraw/zinc/53/73/25/606537325.db2.gz AMSVBICYPLTKEC-GQCTYLIASA-N -1 3 379.439 3.846 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000822928499 606537512 /nfs/dbraw/zinc/53/75/12/606537512.db2.gz IQMGJLRBTRDJNR-QTJNJRLBSA-N -1 3 377.423 3.773 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000822928499 606537514 /nfs/dbraw/zinc/53/75/14/606537514.db2.gz IQMGJLRBTRDJNR-QTJNJRLBSA-N -1 3 377.423 3.773 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000823472593 606537576 /nfs/dbraw/zinc/53/75/76/606537576.db2.gz RRYANJKNEPYSRN-LLVKDONJSA-N -1 3 391.859 3.568 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000823472593 606537578 /nfs/dbraw/zinc/53/75/78/606537578.db2.gz RRYANJKNEPYSRN-LLVKDONJSA-N -1 3 391.859 3.568 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(Cl)cc1F ZINC000823421905 606558236 /nfs/dbraw/zinc/55/82/36/606558236.db2.gz JXGFSMBPCYJECX-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(Cl)cc1F ZINC000823421905 606558239 /nfs/dbraw/zinc/55/82/39/606558239.db2.gz JXGFSMBPCYJECX-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822289250 606566118 /nfs/dbraw/zinc/56/61/18/606566118.db2.gz VGMWFXFEMJBXPV-GFCCVEGCSA-N -1 3 399.476 3.544 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822289250 606566120 /nfs/dbraw/zinc/56/61/20/606566120.db2.gz VGMWFXFEMJBXPV-GFCCVEGCSA-N -1 3 399.476 3.544 20 0 GHADHM Cc1ccccc1CC1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822356006 606570801 /nfs/dbraw/zinc/57/08/01/606570801.db2.gz FZZLRWKARYXWQI-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1ccccc1CC1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822356006 606570802 /nfs/dbraw/zinc/57/08/02/606570802.db2.gz FZZLRWKARYXWQI-UHFFFAOYSA-N -1 3 382.855 3.535 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822220097 606575455 /nfs/dbraw/zinc/57/54/55/606575455.db2.gz CZKZORONYZTNAR-WCQYABFASA-N -1 3 382.390 3.665 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822220097 606575457 /nfs/dbraw/zinc/57/54/57/606575457.db2.gz CZKZORONYZTNAR-WCQYABFASA-N -1 3 382.390 3.665 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820717976 606577799 /nfs/dbraw/zinc/57/77/99/606577799.db2.gz ZLPFVLVCZGJDAN-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820717976 606577802 /nfs/dbraw/zinc/57/78/02/606577802.db2.gz ZLPFVLVCZGJDAN-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819950376 606578912 /nfs/dbraw/zinc/57/89/12/606578912.db2.gz JVDSKVSRGFGTFO-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819950376 606578913 /nfs/dbraw/zinc/57/89/13/606578913.db2.gz JVDSKVSRGFGTFO-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1(C)CC1 ZINC000820306652 606581784 /nfs/dbraw/zinc/58/17/84/606581784.db2.gz BBQBLEHKRWNKGD-AWEZNQCLSA-N -1 3 376.464 3.871 20 0 GHADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323559 606585572 /nfs/dbraw/zinc/58/55/72/606585572.db2.gz SYNFQCSAQXVTQJ-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323559 606585574 /nfs/dbraw/zinc/58/55/74/606585574.db2.gz SYNFQCSAQXVTQJ-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2c(F)ccc(F)c2C1 ZINC000822335753 606592647 /nfs/dbraw/zinc/59/26/47/606592647.db2.gz LKLGOVOKRROOSX-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2c(F)ccc(F)c2C1 ZINC000822335753 606592649 /nfs/dbraw/zinc/59/26/49/606592649.db2.gz LKLGOVOKRROOSX-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM CCOc1cc(C)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821393801 606596420 /nfs/dbraw/zinc/59/64/20/606596420.db2.gz BIXILLFDKZGSHD-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM CCOc1cc(C)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821393801 606596421 /nfs/dbraw/zinc/59/64/21/606596421.db2.gz BIXILLFDKZGSHD-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(SC(=O)N(C)C)cc1 ZINC000822130035 606596973 /nfs/dbraw/zinc/59/69/73/606596973.db2.gz PITKFDOCHHCQRL-UHFFFAOYSA-N -1 3 383.477 3.836 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C/C=C/c1ccc(C)cc1 ZINC000821699388 606622730 /nfs/dbraw/zinc/62/27/30/606622730.db2.gz OKRMZFKMOXXLDA-ONEGZZNKSA-N -1 3 384.823 3.846 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C/C=C/c1ccc(C)cc1 ZINC000821699388 606622731 /nfs/dbraw/zinc/62/27/31/606622731.db2.gz OKRMZFKMOXXLDA-ONEGZZNKSA-N -1 3 384.823 3.846 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823078927 606623500 /nfs/dbraw/zinc/62/35/00/606623500.db2.gz XOZFSVBWRURGIP-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823078927 606623502 /nfs/dbraw/zinc/62/35/02/606623502.db2.gz XOZFSVBWRURGIP-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM COc1ccc([C@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000821778001 606630639 /nfs/dbraw/zinc/63/06/39/606630639.db2.gz RJVMVZPKRMCMEA-MRXNPFEDSA-N -1 3 393.491 3.806 20 0 GHADHM COc1ccc([C@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000821778001 606630640 /nfs/dbraw/zinc/63/06/40/606630640.db2.gz RJVMVZPKRMCMEA-MRXNPFEDSA-N -1 3 393.491 3.806 20 0 GHADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCC1 ZINC000820577277 606631990 /nfs/dbraw/zinc/63/19/90/606631990.db2.gz NABWZQDOKWVSFW-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCC1 ZINC000820577277 606631991 /nfs/dbraw/zinc/63/19/91/606631991.db2.gz NABWZQDOKWVSFW-UHFFFAOYSA-N -1 3 381.411 3.714 20 0 GHADHM O=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823379843 606665130 /nfs/dbraw/zinc/66/51/30/606665130.db2.gz LFUYFLJCWAHHPO-UHFFFAOYSA-N -1 3 392.778 3.660 20 0 GHADHM O=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823379843 606665131 /nfs/dbraw/zinc/66/51/31/606665131.db2.gz LFUYFLJCWAHHPO-UHFFFAOYSA-N -1 3 392.778 3.660 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc(Cc2ccccc2)s1 ZINC000823308582 606665628 /nfs/dbraw/zinc/66/56/28/606665628.db2.gz FYDGVYPJELKUDZ-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc(Cc2ccccc2)s1 ZINC000823308582 606665629 /nfs/dbraw/zinc/66/56/29/606665629.db2.gz FYDGVYPJELKUDZ-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C([C@@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822916892 606671382 /nfs/dbraw/zinc/67/13/82/606671382.db2.gz HNCBSBICLWFMBL-FXAWDEMLSA-N -1 3 399.454 3.872 20 0 GHADHM O=C([C@@H]1C[C@@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822916892 606671383 /nfs/dbraw/zinc/67/13/83/606671383.db2.gz HNCBSBICLWFMBL-FXAWDEMLSA-N -1 3 399.454 3.872 20 0 GHADHM O=C(C=C1CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822918071 606672243 /nfs/dbraw/zinc/67/22/43/606672243.db2.gz ZEIREZYLLWIKNT-UHFFFAOYSA-N -1 3 377.423 3.645 20 0 GHADHM O=C(C=C1CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822918071 606672244 /nfs/dbraw/zinc/67/22/44/606672244.db2.gz ZEIREZYLLWIKNT-UHFFFAOYSA-N -1 3 377.423 3.645 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823355967 606679508 /nfs/dbraw/zinc/67/95/08/606679508.db2.gz HIKQRJLHGLAUNQ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823355967 606679509 /nfs/dbraw/zinc/67/95/09/606679509.db2.gz HIKQRJLHGLAUNQ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CCCn1ccc2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc21 ZINC000821149441 606684303 /nfs/dbraw/zinc/68/43/03/606684303.db2.gz YQLNYSYPIWXYBQ-UHFFFAOYSA-N -1 3 382.374 3.762 20 0 GHADHM CCCn1ccc2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc21 ZINC000821149441 606684304 /nfs/dbraw/zinc/68/43/04/606684304.db2.gz YQLNYSYPIWXYBQ-UHFFFAOYSA-N -1 3 382.374 3.762 20 0 GHADHM CCOc1cccc([C@H](CC)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821427279 606685780 /nfs/dbraw/zinc/68/57/80/606685780.db2.gz QMYUFIWYERMTQE-INIZCTEOSA-N -1 3 388.374 3.852 20 0 GHADHM CCOc1cccc([C@H](CC)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821427279 606685781 /nfs/dbraw/zinc/68/57/81/606685781.db2.gz QMYUFIWYERMTQE-INIZCTEOSA-N -1 3 388.374 3.852 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820038469 606693362 /nfs/dbraw/zinc/69/33/62/606693362.db2.gz OJAKFWVOHHUBCL-QGZVFWFLSA-N -1 3 376.464 3.728 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000822217799 606696764 /nfs/dbraw/zinc/69/67/64/606696764.db2.gz NRJHIAAIDJCIKS-OAHLLOKOSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000822217799 606696765 /nfs/dbraw/zinc/69/67/65/606696765.db2.gz NRJHIAAIDJCIKS-OAHLLOKOSA-N -1 3 391.479 3.658 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823557893 606713247 /nfs/dbraw/zinc/71/32/47/606713247.db2.gz VBNVKKXWVKGKOZ-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823557893 606713248 /nfs/dbraw/zinc/71/32/48/606713248.db2.gz VBNVKKXWVKGKOZ-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC[C@@H]2CCOC2)c1 ZINC000822238927 606726915 /nfs/dbraw/zinc/72/69/15/606726915.db2.gz ZWZHFWFUJWSDAU-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC[C@@H]2CCOC2)c1 ZINC000822238927 606726916 /nfs/dbraw/zinc/72/69/16/606726916.db2.gz ZWZHFWFUJWSDAU-CQSZACIVSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cccc1C(F)(F)F ZINC000822059295 606739385 /nfs/dbraw/zinc/73/93/85/606739385.db2.gz ANRXJTXPEMCBHH-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cccc1C(F)(F)F ZINC000822059295 606739386 /nfs/dbraw/zinc/73/93/86/606739386.db2.gz ANRXJTXPEMCBHH-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000822229539 606743725 /nfs/dbraw/zinc/74/37/25/606743725.db2.gz WRTBRFWIORRPML-HNNXBMFYSA-N -1 3 396.470 3.995 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000822229539 606743727 /nfs/dbraw/zinc/74/37/27/606743727.db2.gz WRTBRFWIORRPML-HNNXBMFYSA-N -1 3 396.470 3.995 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2nccs2)cc1 ZINC000822145784 606776465 /nfs/dbraw/zinc/77/64/65/606776465.db2.gz UIXBSYSUVFFZRS-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Brc1cccc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)nc12 ZINC000819688957 606788158 /nfs/dbraw/zinc/78/81/58/606788158.db2.gz RILVHACWBHFKPW-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1cccc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)nc12 ZINC000819688957 606788160 /nfs/dbraw/zinc/78/81/60/606788160.db2.gz RILVHACWBHFKPW-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Cc1c2c(nc(SCc3nc4cc(F)ccc4o3)c1-c1nnn[n-]1)CCC2 ZINC000822128979 606792977 /nfs/dbraw/zinc/79/29/77/606792977.db2.gz GVIOVMMGULGGDJ-UHFFFAOYSA-N -1 3 382.424 3.631 20 0 GHADHM Cc1c2c(nc(SCc3nc4cc(F)ccc4o3)c1-c1nn[n-]n1)CCC2 ZINC000822128979 606792979 /nfs/dbraw/zinc/79/29/79/606792979.db2.gz GVIOVMMGULGGDJ-UHFFFAOYSA-N -1 3 382.424 3.631 20 0 GHADHM CC(C)CC1(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820063755 606810599 /nfs/dbraw/zinc/81/05/99/606810599.db2.gz YIYYDJZMKAQQPN-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM CC(C)CC1(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820063755 606810601 /nfs/dbraw/zinc/81/06/01/606810601.db2.gz YIYYDJZMKAQQPN-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820876980 606812653 /nfs/dbraw/zinc/81/26/53/606812653.db2.gz XOAPPACBTAQPEY-INIZCTEOSA-N -1 3 393.491 3.601 20 0 GHADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820876980 606812655 /nfs/dbraw/zinc/81/26/55/606812655.db2.gz XOAPPACBTAQPEY-INIZCTEOSA-N -1 3 393.491 3.601 20 0 GHADHM Cc1ccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822248584 606840951 /nfs/dbraw/zinc/84/09/51/606840951.db2.gz GXFARELASVIFNF-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1ccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822248584 606840953 /nfs/dbraw/zinc/84/09/53/606840953.db2.gz GXFARELASVIFNF-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cncc(-c3ccccc3)c2)s1 ZINC000821465748 606862427 /nfs/dbraw/zinc/86/24/27/606862427.db2.gz NSGBVMKWNIQXGJ-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cncc(-c3ccccc3)c2)s1 ZINC000821465748 606862429 /nfs/dbraw/zinc/86/24/29/606862429.db2.gz NSGBVMKWNIQXGJ-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM Cc1ccc(-c2nc3ccccc3n2C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822213944 606862419 /nfs/dbraw/zinc/86/24/19/606862419.db2.gz INTCUPMELVCQGX-SFHVURJKSA-N -1 3 386.415 3.518 20 0 GHADHM Cc1ccc(-c2nc3ccccc3n2C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822213944 606862421 /nfs/dbraw/zinc/86/24/21/606862421.db2.gz INTCUPMELVCQGX-SFHVURJKSA-N -1 3 386.415 3.518 20 0 GHADHM CCn1ccnc1CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821566831 606931224 /nfs/dbraw/zinc/93/12/24/606931224.db2.gz WCDNFDILEPKPCF-UHFFFAOYSA-N -1 3 379.399 3.627 20 0 GHADHM CCn1ccnc1CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821566831 606931225 /nfs/dbraw/zinc/93/12/25/606931225.db2.gz WCDNFDILEPKPCF-UHFFFAOYSA-N -1 3 379.399 3.627 20 0 GHADHM CCc1nnc(SCc2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c1CC ZINC000821548616 606941952 /nfs/dbraw/zinc/94/19/52/606941952.db2.gz QKTFJZUGOPGQGZ-UHFFFAOYSA-N -1 3 392.435 3.675 20 0 GHADHM CCc1nnc(SCc2cccc(OC(F)F)c2)c(-c2nn[n-]n2)c1CC ZINC000821548616 606941953 /nfs/dbraw/zinc/94/19/53/606941953.db2.gz QKTFJZUGOPGQGZ-UHFFFAOYSA-N -1 3 392.435 3.675 20 0 GHADHM O=C(OC/C(Cl)=C\Cl)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823397059 606949173 /nfs/dbraw/zinc/94/91/73/606949173.db2.gz RFEZPOBUNVTYSG-YRNVUSSQSA-N -1 3 395.202 3.515 20 0 GHADHM C[C@]1(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCS1 ZINC000820618801 606954523 /nfs/dbraw/zinc/95/45/23/606954523.db2.gz PCIXDDBYDJMSNR-HXUWFJFHSA-N -1 3 395.488 3.675 20 0 GHADHM C[C@]1(CNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCS1 ZINC000820618801 606954524 /nfs/dbraw/zinc/95/45/24/606954524.db2.gz PCIXDDBYDJMSNR-HXUWFJFHSA-N -1 3 395.488 3.675 20 0 GHADHM Cc1sc(NC(=O)c2cccc(OC(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000822563792 606955820 /nfs/dbraw/zinc/95/58/20/606955820.db2.gz PFUMTZYFOGZLGG-UHFFFAOYSA-N -1 3 383.355 3.696 20 0 GHADHM Cc1sc(NC(=O)c2cccc(OC(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000822563792 606955822 /nfs/dbraw/zinc/95/58/22/606955822.db2.gz PFUMTZYFOGZLGG-UHFFFAOYSA-N -1 3 383.355 3.696 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403882 606958453 /nfs/dbraw/zinc/95/84/53/606958453.db2.gz YQGLJKDWJGWCCZ-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403882 606958455 /nfs/dbraw/zinc/95/84/55/606958455.db2.gz YQGLJKDWJGWCCZ-ZDUSSCGKSA-N -1 3 389.419 3.713 20 0 GHADHM CN(C(=O)CCc1ccccc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569766 606960802 /nfs/dbraw/zinc/96/08/02/606960802.db2.gz VFJIQLRSCTUZPB-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccccc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569766 606960803 /nfs/dbraw/zinc/96/08/03/606960803.db2.gz VFJIQLRSCTUZPB-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM Cc1ccc(CCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000822236068 606963488 /nfs/dbraw/zinc/96/34/88/606963488.db2.gz IKZPMLYCTAWMQM-UHFFFAOYSA-N -1 3 375.885 3.876 20 0 GHADHM Cc1ccc(CCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000822236068 606963491 /nfs/dbraw/zinc/96/34/91/606963491.db2.gz IKZPMLYCTAWMQM-UHFFFAOYSA-N -1 3 375.885 3.876 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820254740 606964410 /nfs/dbraw/zinc/96/44/10/606964410.db2.gz VZCJPFDYGFFDSK-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820254740 606964412 /nfs/dbraw/zinc/96/44/12/606964412.db2.gz VZCJPFDYGFFDSK-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM CN(C(=O)[C@@H]1SCCc2sccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569881 606964996 /nfs/dbraw/zinc/96/49/96/606964996.db2.gz ZBRLOBXGEAICGH-CQSZACIVSA-N -1 3 391.909 3.575 20 0 GHADHM CN(C(=O)[C@@H]1SCCc2sccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569881 606964998 /nfs/dbraw/zinc/96/49/98/606964998.db2.gz ZBRLOBXGEAICGH-CQSZACIVSA-N -1 3 391.909 3.575 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821883629 606965568 /nfs/dbraw/zinc/96/55/68/606965568.db2.gz YRYYHBVXFMVUGD-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821883629 606965569 /nfs/dbraw/zinc/96/55/69/606965569.db2.gz YRYYHBVXFMVUGD-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)N(C)c3ccccc3-c3nnn[n-]3)cs2)cc1 ZINC000822213884 606975919 /nfs/dbraw/zinc/97/59/19/606975919.db2.gz FIUPOPFXBAZRDT-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)N(C)c3ccccc3-c3nn[n-]n3)cs2)cc1 ZINC000822213884 606975921 /nfs/dbraw/zinc/97/59/21/606975921.db2.gz FIUPOPFXBAZRDT-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821563775 606978232 /nfs/dbraw/zinc/97/82/32/606978232.db2.gz FJMYGTVOPCKRFP-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821563775 606978233 /nfs/dbraw/zinc/97/82/33/606978233.db2.gz FJMYGTVOPCKRFP-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822229450 606992348 /nfs/dbraw/zinc/99/23/48/606992348.db2.gz VBKIFTMLSYKNAF-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822229450 606992349 /nfs/dbraw/zinc/99/23/49/606992349.db2.gz VBKIFTMLSYKNAF-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000823427125 606996421 /nfs/dbraw/zinc/99/64/21/606996421.db2.gz XKYGULQADIYZQF-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000823427125 606996423 /nfs/dbraw/zinc/99/64/23/606996423.db2.gz XKYGULQADIYZQF-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)c2)n1 ZINC000822409162 607000148 /nfs/dbraw/zinc/00/01/48/607000148.db2.gz NWBYUNPOHWGXLZ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)c2)n1 ZINC000822409162 607000149 /nfs/dbraw/zinc/00/01/49/607000149.db2.gz NWBYUNPOHWGXLZ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000129422061 607004381 /nfs/dbraw/zinc/00/43/81/607004381.db2.gz XMYKVNMJDCMUNQ-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000129422061 607004382 /nfs/dbraw/zinc/00/43/82/607004382.db2.gz XMYKVNMJDCMUNQ-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000821565506 607005143 /nfs/dbraw/zinc/00/51/43/607005143.db2.gz VXAALGRZZICMRZ-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000821565506 607005144 /nfs/dbraw/zinc/00/51/44/607005144.db2.gz VXAALGRZZICMRZ-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM Cc1sc2nc([C@@H](C)Sc3cccc(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000822563428 607014153 /nfs/dbraw/zinc/01/41/53/607014153.db2.gz IPSKPDGELORGBY-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc([C@@H](C)Sc3cccc(-c4nn[n-]n4)c3)nc(N)c2c1C ZINC000822563428 607014156 /nfs/dbraw/zinc/01/41/56/607014156.db2.gz IPSKPDGELORGBY-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000822757820 607038606 /nfs/dbraw/zinc/03/86/06/607038606.db2.gz FNPZZEFOMCYJQH-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000822757820 607038607 /nfs/dbraw/zinc/03/86/07/607038607.db2.gz FNPZZEFOMCYJQH-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822299429 607061635 /nfs/dbraw/zinc/06/16/35/607061635.db2.gz IRKAQIJHZJZHMJ-MRXNPFEDSA-N -1 3 383.843 3.593 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822299429 607061636 /nfs/dbraw/zinc/06/16/36/607061636.db2.gz IRKAQIJHZJZHMJ-MRXNPFEDSA-N -1 3 383.843 3.593 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000821104554 607074411 /nfs/dbraw/zinc/07/44/11/607074411.db2.gz IKFIHWWQPXYOIQ-UHFFFAOYSA-N -1 3 396.499 3.553 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000821104554 607074413 /nfs/dbraw/zinc/07/44/13/607074413.db2.gz IKFIHWWQPXYOIQ-UHFFFAOYSA-N -1 3 396.499 3.553 20 0 GHADHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)sc2nccc(C)c12 ZINC000822379570 607077418 /nfs/dbraw/zinc/07/74/18/607077418.db2.gz PNLXTBLGTOODDH-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)sc2nccc(C)c12 ZINC000822379570 607077420 /nfs/dbraw/zinc/07/74/20/607077420.db2.gz PNLXTBLGTOODDH-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000822936092 607094519 /nfs/dbraw/zinc/09/45/19/607094519.db2.gz RVHGLWUXIKTNEJ-IWGBCORSSA-N -1 3 397.438 3.802 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000822936092 607094521 /nfs/dbraw/zinc/09/45/21/607094521.db2.gz RVHGLWUXIKTNEJ-IWGBCORSSA-N -1 3 397.438 3.802 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823367029 607140989 /nfs/dbraw/zinc/14/09/89/607140989.db2.gz DVPGUKKNFIUQGU-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823367029 607140990 /nfs/dbraw/zinc/14/09/90/607140990.db2.gz DVPGUKKNFIUQGU-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cc1ncsc1-c1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822482005 607150920 /nfs/dbraw/zinc/15/09/20/607150920.db2.gz IPPZDYHULZIOBZ-SNVBAGLBSA-N -1 3 385.478 3.676 20 0 GHADHM Cc1ncsc1-c1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822482005 607150922 /nfs/dbraw/zinc/15/09/22/607150922.db2.gz IPPZDYHULZIOBZ-SNVBAGLBSA-N -1 3 385.478 3.676 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)COc1ccccc1 ZINC000820086649 607153121 /nfs/dbraw/zinc/15/31/21/607153121.db2.gz DASCXZHXCFWWLK-QGZVFWFLSA-N -1 3 393.491 3.566 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)COc1ccccc1 ZINC000820086649 607153122 /nfs/dbraw/zinc/15/31/22/607153122.db2.gz DASCXZHXCFWWLK-QGZVFWFLSA-N -1 3 393.491 3.566 20 0 GHADHM Cc1ccccc1NC(=O)CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000822361659 607161201 /nfs/dbraw/zinc/16/12/01/607161201.db2.gz FAYRNHSNUWJNMW-UHFFFAOYSA-N -1 3 394.504 3.570 20 0 GHADHM Cc1ccccc1NC(=O)CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000822361659 607161203 /nfs/dbraw/zinc/16/12/03/607161203.db2.gz FAYRNHSNUWJNMW-UHFFFAOYSA-N -1 3 394.504 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823313554 607190380 /nfs/dbraw/zinc/19/03/80/607190380.db2.gz DZDJKOAUMOULHO-YWZLYKJASA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823313554 607190381 /nfs/dbraw/zinc/19/03/81/607190381.db2.gz DZDJKOAUMOULHO-YWZLYKJASA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823313534 607192222 /nfs/dbraw/zinc/19/22/22/607192222.db2.gz DRFXEFADOWDYOO-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823313534 607192223 /nfs/dbraw/zinc/19/22/23/607192223.db2.gz DRFXEFADOWDYOO-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821016424 607194035 /nfs/dbraw/zinc/19/40/35/607194035.db2.gz WORUIRMGEAOYNL-RISCZKNCSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821016424 607194036 /nfs/dbraw/zinc/19/40/36/607194036.db2.gz WORUIRMGEAOYNL-RISCZKNCSA-N -1 3 394.426 3.901 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821889952 607195825 /nfs/dbraw/zinc/19/58/25/607195825.db2.gz HZAFADWBLSIMCU-INIZCTEOSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821889952 607195826 /nfs/dbraw/zinc/19/58/26/607195826.db2.gz HZAFADWBLSIMCU-INIZCTEOSA-N -1 3 398.854 3.898 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822009877 607199404 /nfs/dbraw/zinc/19/94/04/607199404.db2.gz GETCCDGSXBPROM-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822009877 607199405 /nfs/dbraw/zinc/19/94/05/607199405.db2.gz GETCCDGSXBPROM-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823318370 607199810 /nfs/dbraw/zinc/19/98/10/607199810.db2.gz DJLUFRHOGBFKKH-UWVGGRQHSA-N -1 3 388.781 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823318370 607199811 /nfs/dbraw/zinc/19/98/11/607199811.db2.gz DJLUFRHOGBFKKH-UWVGGRQHSA-N -1 3 388.781 3.763 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820643185 607200704 /nfs/dbraw/zinc/20/07/04/607200704.db2.gz RJVWGQPGOVOHRB-SWLSCSKDSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820643185 607200705 /nfs/dbraw/zinc/20/07/05/607200705.db2.gz RJVWGQPGOVOHRB-SWLSCSKDSA-N -1 3 382.855 3.930 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821221179 607203400 /nfs/dbraw/zinc/20/34/00/607203400.db2.gz JCUFLOCQPLJQGX-UHFFFAOYSA-N -1 3 392.797 3.852 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821221179 607203401 /nfs/dbraw/zinc/20/34/01/607203401.db2.gz JCUFLOCQPLJQGX-UHFFFAOYSA-N -1 3 392.797 3.852 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819835329 607234239 /nfs/dbraw/zinc/23/42/39/607234239.db2.gz VXSHOIDTOZCPJB-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819835329 607234240 /nfs/dbraw/zinc/23/42/40/607234240.db2.gz VXSHOIDTOZCPJB-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C2CCCCC2)n1 ZINC000822670034 607242896 /nfs/dbraw/zinc/24/28/96/607242896.db2.gz ZFTSJMWPUTZGPQ-UHFFFAOYSA-N -1 3 385.859 3.554 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C2CCCCC2)n1 ZINC000822670034 607242897 /nfs/dbraw/zinc/24/28/97/607242897.db2.gz ZFTSJMWPUTZGPQ-UHFFFAOYSA-N -1 3 385.859 3.554 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820005451 607243307 /nfs/dbraw/zinc/24/33/07/607243307.db2.gz RAVOTGGVTXSCNC-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820005451 607243308 /nfs/dbraw/zinc/24/33/08/607243308.db2.gz RAVOTGGVTXSCNC-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c2)cs1 ZINC000822418879 607246187 /nfs/dbraw/zinc/24/61/87/607246187.db2.gz HRZYNRQWIWAUJJ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c2)cs1 ZINC000822418879 607246188 /nfs/dbraw/zinc/24/61/88/607246188.db2.gz HRZYNRQWIWAUJJ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000826423328 607774821 /nfs/dbraw/zinc/77/48/21/607774821.db2.gz JKFAZBSTABQKHX-UHFFFAOYSA-N -1 3 399.458 3.501 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000826423328 607774822 /nfs/dbraw/zinc/77/48/22/607774822.db2.gz JKFAZBSTABQKHX-UHFFFAOYSA-N -1 3 399.458 3.501 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825068770 607785498 /nfs/dbraw/zinc/78/54/98/607785498.db2.gz WLCKUGRIMLQMKW-CQSZACIVSA-N -1 3 399.882 3.868 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825068770 607785499 /nfs/dbraw/zinc/78/54/99/607785499.db2.gz WLCKUGRIMLQMKW-CQSZACIVSA-N -1 3 399.882 3.868 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826283364 607787516 /nfs/dbraw/zinc/78/75/16/607787516.db2.gz PEJBVJRXNZDZFF-HNNXBMFYSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826283364 607787517 /nfs/dbraw/zinc/78/75/17/607787517.db2.gz PEJBVJRXNZDZFF-HNNXBMFYSA-N -1 3 379.464 3.729 20 0 GHADHM CN(C(=O)c1cc2c3ccccc3n(C)c2s1)c1ccccc1-c1nnn[n-]1 ZINC000825825952 607787537 /nfs/dbraw/zinc/78/75/37/607787537.db2.gz PIDNLLVCXXPICV-UHFFFAOYSA-N -1 3 388.456 3.850 20 0 GHADHM CN(C(=O)c1cc2c3ccccc3n(C)c2s1)c1ccccc1-c1nn[n-]n1 ZINC000825825952 607787538 /nfs/dbraw/zinc/78/75/38/607787538.db2.gz PIDNLLVCXXPICV-UHFFFAOYSA-N -1 3 388.456 3.850 20 0 GHADHM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825834141 607790845 /nfs/dbraw/zinc/79/08/45/607790845.db2.gz PVLWDXAGWTZDEQ-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825834141 607790846 /nfs/dbraw/zinc/79/08/46/607790846.db2.gz PVLWDXAGWTZDEQ-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000128308845 607793620 /nfs/dbraw/zinc/79/36/20/607793620.db2.gz ASEDKYFRTUMSOE-UHFFFAOYSA-N -1 3 383.411 3.625 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000128308845 607793621 /nfs/dbraw/zinc/79/36/21/607793621.db2.gz ASEDKYFRTUMSOE-UHFFFAOYSA-N -1 3 383.411 3.625 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826338335 607817887 /nfs/dbraw/zinc/81/78/87/607817887.db2.gz SEWBOMDBUQBSDF-CQSZACIVSA-N -1 3 396.495 3.650 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826338335 607817888 /nfs/dbraw/zinc/81/78/88/607817888.db2.gz SEWBOMDBUQBSDF-CQSZACIVSA-N -1 3 396.495 3.650 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338249 607817965 /nfs/dbraw/zinc/81/79/65/607817965.db2.gz PAGYOGBWKNIONG-ZDUSSCGKSA-N -1 3 382.468 3.654 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338249 607817966 /nfs/dbraw/zinc/81/79/66/607817966.db2.gz PAGYOGBWKNIONG-ZDUSSCGKSA-N -1 3 382.468 3.654 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000826286628 607818048 /nfs/dbraw/zinc/81/80/48/607818048.db2.gz JQFCFOATOUSADW-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000826286628 607818049 /nfs/dbraw/zinc/81/80/49/607818049.db2.gz JQFCFOATOUSADW-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824457272 607830550 /nfs/dbraw/zinc/83/05/50/607830550.db2.gz IQDRASUGMHJIEW-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824457272 607830551 /nfs/dbraw/zinc/83/05/51/607830551.db2.gz IQDRASUGMHJIEW-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM CCN(Cc1ccccc1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825439384 607833266 /nfs/dbraw/zinc/83/32/66/607833266.db2.gz ASGXIEROTIYUKY-UHFFFAOYSA-N -1 3 376.247 3.836 20 0 GHADHM CCN(Cc1ccccc1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825439384 607833267 /nfs/dbraw/zinc/83/32/67/607833267.db2.gz ASGXIEROTIYUKY-UHFFFAOYSA-N -1 3 376.247 3.836 20 0 GHADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000826287857 607833514 /nfs/dbraw/zinc/83/35/14/607833514.db2.gz GRVNDSJHEBGNOK-UHFFFAOYSA-N -1 3 376.247 3.720 20 0 GHADHM Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000826287857 607833515 /nfs/dbraw/zinc/83/35/15/607833515.db2.gz GRVNDSJHEBGNOK-UHFFFAOYSA-N -1 3 376.247 3.720 20 0 GHADHM O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826398752 607881308 /nfs/dbraw/zinc/88/13/08/607881308.db2.gz FCYGLLVJECGKQK-BHIYHBOVSA-N -1 3 379.508 3.964 20 0 GHADHM O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826398752 607881309 /nfs/dbraw/zinc/88/13/09/607881309.db2.gz FCYGLLVJECGKQK-BHIYHBOVSA-N -1 3 379.508 3.964 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824456891 607908948 /nfs/dbraw/zinc/90/89/48/607908948.db2.gz AAEOKSSNLDZUGK-CYBMUJFWSA-N -1 3 381.867 3.504 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824456891 607908949 /nfs/dbraw/zinc/90/89/49/607908949.db2.gz AAEOKSSNLDZUGK-CYBMUJFWSA-N -1 3 381.867 3.504 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826323370 607913230 /nfs/dbraw/zinc/91/32/30/607913230.db2.gz BAMKPICRQNMCOL-JTQLQIEISA-N -1 3 376.511 3.650 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826323370 607913231 /nfs/dbraw/zinc/91/32/31/607913231.db2.gz BAMKPICRQNMCOL-JTQLQIEISA-N -1 3 376.511 3.650 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCC1 ZINC000824505702 607918658 /nfs/dbraw/zinc/91/86/58/607918658.db2.gz HKNJAGQVLNTIDT-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCC1 ZINC000824505702 607918659 /nfs/dbraw/zinc/91/86/59/607918659.db2.gz HKNJAGQVLNTIDT-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCSC1 ZINC000825820525 607918885 /nfs/dbraw/zinc/91/88/85/607918885.db2.gz JCWVMASADRKHNJ-OAHLLOKOSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCSC1 ZINC000825820525 607918886 /nfs/dbraw/zinc/91/88/86/607918886.db2.gz JCWVMASADRKHNJ-OAHLLOKOSA-N -1 3 396.476 3.628 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)s1 ZINC000825694359 607925164 /nfs/dbraw/zinc/92/51/64/607925164.db2.gz OVIXMRKVLYWSLC-JTQLQIEISA-N -1 3 375.885 3.961 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)s1 ZINC000825694359 607925165 /nfs/dbraw/zinc/92/51/65/607925165.db2.gz OVIXMRKVLYWSLC-JTQLQIEISA-N -1 3 375.885 3.961 20 0 GHADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(Cl)c(Cl)c1 ZINC000824039308 607950483 /nfs/dbraw/zinc/95/04/83/607950483.db2.gz DDPXWSXDFQNMSM-JTQLQIEISA-N -1 3 388.258 3.866 20 0 GHADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(Cl)c(Cl)c1 ZINC000824039308 607950484 /nfs/dbraw/zinc/95/04/84/607950484.db2.gz DDPXWSXDFQNMSM-JTQLQIEISA-N -1 3 388.258 3.866 20 0 GHADHM O=C(c1ccccc1Nc1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474238 607954572 /nfs/dbraw/zinc/95/45/72/607954572.db2.gz HOFNGASQHOEAAB-UHFFFAOYSA-N -1 3 382.427 3.813 20 0 GHADHM O=C(c1ccccc1Nc1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474238 607954573 /nfs/dbraw/zinc/95/45/73/607954573.db2.gz HOFNGASQHOEAAB-UHFFFAOYSA-N -1 3 382.427 3.813 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825339247 607954886 /nfs/dbraw/zinc/95/48/86/607954886.db2.gz TZBXLXYINVUMEP-UHFFFAOYSA-N -1 3 383.839 3.512 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825339247 607954887 /nfs/dbraw/zinc/95/48/87/607954887.db2.gz TZBXLXYINVUMEP-UHFFFAOYSA-N -1 3 383.839 3.512 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC=C(C(F)(F)F)CC1 ZINC000826474327 607955990 /nfs/dbraw/zinc/95/59/90/607955990.db2.gz LDZYEDTZEAWXNR-UHFFFAOYSA-N -1 3 399.376 3.868 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC=C(C(F)(F)F)CC1 ZINC000826474327 607955991 /nfs/dbraw/zinc/95/59/91/607955991.db2.gz LDZYEDTZEAWXNR-UHFFFAOYSA-N -1 3 399.376 3.868 20 0 GHADHM O=C(N[C@H]1CCCc2occc21)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826430682 607964127 /nfs/dbraw/zinc/96/41/27/607964127.db2.gz ISFFNSFPIOFTLU-LBPRGKRZSA-N -1 3 378.219 3.574 20 0 GHADHM O=C(N[C@H]1CCCc2occc21)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826430682 607964128 /nfs/dbraw/zinc/96/41/28/607964128.db2.gz ISFFNSFPIOFTLU-LBPRGKRZSA-N -1 3 378.219 3.574 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337551 607966021 /nfs/dbraw/zinc/96/60/21/607966021.db2.gz SMYXVSMFNHLVPX-RISCZKNCSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337551 607966022 /nfs/dbraw/zinc/96/60/22/607966022.db2.gz SMYXVSMFNHLVPX-RISCZKNCSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)n1[C@H]1CCC[C@H](C)C1 ZINC000826337686 607968790 /nfs/dbraw/zinc/96/87/90/607968790.db2.gz XLAKSWZIGNNYPL-CABZTGNLSA-N -1 3 390.904 3.717 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)n1[C@H]1CCC[C@H](C)C1 ZINC000826337686 607968791 /nfs/dbraw/zinc/96/87/91/607968791.db2.gz XLAKSWZIGNNYPL-CABZTGNLSA-N -1 3 390.904 3.717 20 0 GHADHM FC(F)(F)c1cc(N2CCc3c4ccccc4[nH]c3C2)ccc1-c1nnn[n-]1 ZINC000826368489 607968882 /nfs/dbraw/zinc/96/88/82/607968882.db2.gz RGVYCVYTWDEOMR-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1cc(N2CCc3c4ccccc4[nH]c3C2)ccc1-c1nn[n-]n1 ZINC000826368489 607968883 /nfs/dbraw/zinc/96/88/83/607968883.db2.gz RGVYCVYTWDEOMR-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM COc1ccc(COc2ccc(NC(=O)OC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826207431 607973049 /nfs/dbraw/zinc/97/30/49/607973049.db2.gz NRNDAMNGMDKAAB-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1ccc(COc2ccc(NC(=O)OC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826207431 607973050 /nfs/dbraw/zinc/97/30/50/607973050.db2.gz NRNDAMNGMDKAAB-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc2c(cc1OC)C[C@H](C)O2 ZINC000825352703 607975072 /nfs/dbraw/zinc/97/50/72/607975072.db2.gz PGZWOUGWSZCWJW-LBPRGKRZSA-N -1 3 390.447 3.625 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc2c(cc1OC)C[C@H](C)O2 ZINC000825352703 607975073 /nfs/dbraw/zinc/97/50/73/607975073.db2.gz PGZWOUGWSZCWJW-LBPRGKRZSA-N -1 3 390.447 3.625 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000825610023 607981556 /nfs/dbraw/zinc/98/15/56/607981556.db2.gz WOERVUFGARXDGK-AWEZNQCLSA-N -1 3 395.246 3.685 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000825610023 607981557 /nfs/dbraw/zinc/98/15/57/607981557.db2.gz WOERVUFGARXDGK-AWEZNQCLSA-N -1 3 395.246 3.685 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000824285053 607992694 /nfs/dbraw/zinc/99/26/94/607992694.db2.gz VCUVAZJADOTGGX-LLVKDONJSA-N -1 3 390.394 3.575 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000824285053 607992695 /nfs/dbraw/zinc/99/26/95/607992695.db2.gz VCUVAZJADOTGGX-LLVKDONJSA-N -1 3 390.394 3.575 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cs2)n1C ZINC000826273358 608006435 /nfs/dbraw/zinc/00/64/35/608006435.db2.gz AFHGCJLAFYXIQW-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cs2)n1C ZINC000826273358 608006436 /nfs/dbraw/zinc/00/64/36/608006436.db2.gz AFHGCJLAFYXIQW-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826261985 608007353 /nfs/dbraw/zinc/00/73/53/608007353.db2.gz AMEQIWAKCURSMU-SFHVURJKSA-N -1 3 380.427 3.895 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826261985 608007354 /nfs/dbraw/zinc/00/73/54/608007354.db2.gz AMEQIWAKCURSMU-SFHVURJKSA-N -1 3 380.427 3.895 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000535524028 608023211 /nfs/dbraw/zinc/02/32/11/608023211.db2.gz IIVFYFOMLDOUMB-UHFFFAOYSA-N -1 3 394.866 3.571 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000535524028 608023212 /nfs/dbraw/zinc/02/32/12/608023212.db2.gz IIVFYFOMLDOUMB-UHFFFAOYSA-N -1 3 394.866 3.571 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)no1 ZINC000826270653 608049330 /nfs/dbraw/zinc/04/93/30/608049330.db2.gz JMKSCXUDFHJCDX-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)no1 ZINC000826270653 608049331 /nfs/dbraw/zinc/04/93/31/608049331.db2.gz JMKSCXUDFHJCDX-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM COc1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1F ZINC000826214486 608059097 /nfs/dbraw/zinc/05/90/97/608059097.db2.gz NAWYWTYLUKNOIA-UHFFFAOYSA-N -1 3 387.440 3.597 20 0 GHADHM COc1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1F ZINC000826214486 608059098 /nfs/dbraw/zinc/05/90/98/608059098.db2.gz NAWYWTYLUKNOIA-UHFFFAOYSA-N -1 3 387.440 3.597 20 0 GHADHM CCOC(=O)C(=Cc1ccc(-c2nnn[n-]2)s1)c1nc(C(C)C)c(C)s1 ZINC000825485855 608109375 /nfs/dbraw/zinc/10/93/75/608109375.db2.gz KKLJWKXIJXTDRH-WQLSENKSSA-N -1 3 389.506 3.920 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000826278349 608119342 /nfs/dbraw/zinc/11/93/42/608119342.db2.gz YPTPEERDXLELJT-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000826278349 608119343 /nfs/dbraw/zinc/11/93/43/608119343.db2.gz YPTPEERDXLELJT-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1nccn1CCCc1ccccc1 ZINC000826371631 608123902 /nfs/dbraw/zinc/12/39/02/608123902.db2.gz NDXISAQLCSBDCP-UHFFFAOYSA-N -1 3 395.417 3.586 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1nccn1CCCc1ccccc1 ZINC000826371631 608123903 /nfs/dbraw/zinc/12/39/03/608123903.db2.gz NDXISAQLCSBDCP-UHFFFAOYSA-N -1 3 395.417 3.586 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826405434 608162332 /nfs/dbraw/zinc/16/23/32/608162332.db2.gz FOFHURQUSGIBFW-UHFFFAOYSA-N -1 3 382.371 3.661 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826405434 608162334 /nfs/dbraw/zinc/16/23/34/608162334.db2.gz FOFHURQUSGIBFW-UHFFFAOYSA-N -1 3 382.371 3.661 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000825787558 608174246 /nfs/dbraw/zinc/17/42/46/608174246.db2.gz HRUKZAHLVZMOEA-CQSZACIVSA-N -1 3 389.463 3.677 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000825787558 608174247 /nfs/dbraw/zinc/17/42/47/608174247.db2.gz HRUKZAHLVZMOEA-CQSZACIVSA-N -1 3 389.463 3.677 20 0 GHADHM COc1ccc(C2(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000826190142 608182211 /nfs/dbraw/zinc/18/22/11/608182211.db2.gz QSZIYXJFGMHIDK-CQSZACIVSA-N -1 3 378.432 3.601 20 0 GHADHM COc1ccc(C2(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000826190142 608182212 /nfs/dbraw/zinc/18/22/12/608182212.db2.gz QSZIYXJFGMHIDK-CQSZACIVSA-N -1 3 378.432 3.601 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234758 608183070 /nfs/dbraw/zinc/18/30/70/608183070.db2.gz MPLJVHOVMHVFLN-GFCCVEGCSA-N -1 3 393.447 3.576 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234758 608183072 /nfs/dbraw/zinc/18/30/72/608183072.db2.gz MPLJVHOVMHVFLN-GFCCVEGCSA-N -1 3 393.447 3.576 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccco1 ZINC000826232545 608189960 /nfs/dbraw/zinc/18/99/60/608189960.db2.gz VQXZNYYXEZOUQM-LBPRGKRZSA-N -1 3 377.360 3.565 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccco1 ZINC000826232545 608189961 /nfs/dbraw/zinc/18/99/61/608189961.db2.gz VQXZNYYXEZOUQM-LBPRGKRZSA-N -1 3 377.360 3.565 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826209582 608207391 /nfs/dbraw/zinc/20/73/91/608207391.db2.gz IMIKGTWBCOKOQE-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826209582 608207394 /nfs/dbraw/zinc/20/73/94/608207394.db2.gz IMIKGTWBCOKOQE-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000826185272 608221917 /nfs/dbraw/zinc/22/19/17/608221917.db2.gz FQNILFMRYPTDGM-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000826185272 608221919 /nfs/dbraw/zinc/22/19/19/608221919.db2.gz FQNILFMRYPTDGM-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825313461 608228188 /nfs/dbraw/zinc/22/81/88/608228188.db2.gz GFNYJNOMSWNPDM-POHAHGRESA-N -1 3 386.459 3.800 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825313461 608228189 /nfs/dbraw/zinc/22/81/89/608228189.db2.gz GFNYJNOMSWNPDM-POHAHGRESA-N -1 3 386.459 3.800 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367505 608236480 /nfs/dbraw/zinc/23/64/80/608236480.db2.gz RLLVWZVFIIDMRZ-GFCCVEGCSA-N -1 3 389.381 3.707 20 0 GHADHM CCN(C(=O)C(F)(F)c1ccccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367505 608236482 /nfs/dbraw/zinc/23/64/82/608236482.db2.gz RLLVWZVFIIDMRZ-GFCCVEGCSA-N -1 3 389.381 3.707 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000826422460 608259442 /nfs/dbraw/zinc/25/94/42/608259442.db2.gz ZPUKGYGPJFEZKZ-UHFFFAOYSA-N -1 3 397.438 3.650 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000826422460 608259444 /nfs/dbraw/zinc/25/94/44/608259444.db2.gz ZPUKGYGPJFEZKZ-UHFFFAOYSA-N -1 3 397.438 3.650 20 0 GHADHM CSc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccc1F ZINC000826230513 608265173 /nfs/dbraw/zinc/26/51/73/608265173.db2.gz XELPXHQYIIXISJ-UHFFFAOYSA-N -1 3 389.481 3.920 20 0 GHADHM CSc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccc1F ZINC000826230513 608265175 /nfs/dbraw/zinc/26/51/75/608265175.db2.gz XELPXHQYIIXISJ-UHFFFAOYSA-N -1 3 389.481 3.920 20 0 GHADHM O=c1[nH]c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc2ccccc21 ZINC000826501010 608296695 /nfs/dbraw/zinc/29/66/95/608296695.db2.gz VQQXHJZCZHMRHY-UHFFFAOYSA-N -1 3 395.426 3.795 20 0 GHADHM O=c1[nH]c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc2ccccc21 ZINC000826501010 608296698 /nfs/dbraw/zinc/29/66/98/608296698.db2.gz VQQXHJZCZHMRHY-UHFFFAOYSA-N -1 3 395.426 3.795 20 0 GHADHM COC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826151454 608297741 /nfs/dbraw/zinc/29/77/41/608297741.db2.gz BIHUJPIPLQCUSG-HNNXBMFYSA-N -1 3 399.323 3.963 20 0 GHADHM COC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826151454 608297743 /nfs/dbraw/zinc/29/77/43/608297743.db2.gz BIHUJPIPLQCUSG-HNNXBMFYSA-N -1 3 399.323 3.963 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516980 608310570 /nfs/dbraw/zinc/31/05/70/608310570.db2.gz ZIEGCICILANFPU-VXGBXAGGSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824516980 608310572 /nfs/dbraw/zinc/31/05/72/608310572.db2.gz ZIEGCICILANFPU-VXGBXAGGSA-N -1 3 389.381 3.808 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1N(C)C1CCCC1 ZINC000826170487 608320415 /nfs/dbraw/zinc/32/04/15/608320415.db2.gz BOPBSEYOWACJSC-UHFFFAOYSA-N -1 3 378.480 3.866 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1N(C)C1CCCC1 ZINC000826170487 608320416 /nfs/dbraw/zinc/32/04/16/608320416.db2.gz BOPBSEYOWACJSC-UHFFFAOYSA-N -1 3 378.480 3.866 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1coc(-c2ccccc2)n1 ZINC000826173864 608322885 /nfs/dbraw/zinc/32/28/85/608322885.db2.gz YOBQRVHDWYIXJQ-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1coc(-c2ccccc2)n1 ZINC000826173864 608322886 /nfs/dbraw/zinc/32/28/86/608322886.db2.gz YOBQRVHDWYIXJQ-UHFFFAOYSA-N -1 3 379.445 3.964 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(Oc2nccs2)cc1 ZINC000826173314 608325248 /nfs/dbraw/zinc/32/52/48/608325248.db2.gz XKVZATHEZLGWCD-UHFFFAOYSA-N -1 3 381.417 3.703 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(Oc2nccs2)cc1 ZINC000826173314 608325250 /nfs/dbraw/zinc/32/52/50/608325250.db2.gz XKVZATHEZLGWCD-UHFFFAOYSA-N -1 3 381.417 3.703 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)n1cccc1 ZINC000824385436 608327448 /nfs/dbraw/zinc/32/74/48/608327448.db2.gz SXDRDDAGJXTUPO-INIZCTEOSA-N -1 3 386.459 3.603 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)n1cccc1 ZINC000824385436 608327449 /nfs/dbraw/zinc/32/74/49/608327449.db2.gz SXDRDDAGJXTUPO-INIZCTEOSA-N -1 3 386.459 3.603 20 0 GHADHM CCN(C(=O)c1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380543 608345437 /nfs/dbraw/zinc/34/54/37/608345437.db2.gz QLXRDMIIGKVSKH-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380543 608345438 /nfs/dbraw/zinc/34/54/38/608345438.db2.gz QLXRDMIIGKVSKH-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376490 608347221 /nfs/dbraw/zinc/34/72/21/608347221.db2.gz HUOQFBJYPWKDGH-UHFFFAOYSA-N -1 3 394.237 3.908 20 0 GHADHM CCN(C(=O)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376490 608347223 /nfs/dbraw/zinc/34/72/23/608347223.db2.gz HUOQFBJYPWKDGH-UHFFFAOYSA-N -1 3 394.237 3.908 20 0 GHADHM FC(F)(F)c1ccc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nnn[n-]2)c1 ZINC000826368879 608376337 /nfs/dbraw/zinc/37/63/37/608376337.db2.gz DUAWNTFLXJIHMJ-UHFFFAOYSA-N -1 3 385.353 3.888 20 0 GHADHM FC(F)(F)c1ccc(NCc2nc(-c3ccccc3)c[nH]2)c(-c2nn[n-]n2)c1 ZINC000826368879 608376339 /nfs/dbraw/zinc/37/63/39/608376339.db2.gz DUAWNTFLXJIHMJ-UHFFFAOYSA-N -1 3 385.353 3.888 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824229070 608416204 /nfs/dbraw/zinc/41/62/04/608416204.db2.gz NGHWRWRSPTXKMG-UHFFFAOYSA-N -1 3 382.512 3.738 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824229070 608416206 /nfs/dbraw/zinc/41/62/06/608416206.db2.gz NGHWRWRSPTXKMG-UHFFFAOYSA-N -1 3 382.512 3.738 20 0 GHADHM Clc1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC000826351777 608431946 /nfs/dbraw/zinc/43/19/46/608431946.db2.gz ZYEVOOXOYBCHPN-UHFFFAOYSA-N -1 3 393.632 3.742 20 0 GHADHM Clc1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC000826351777 608431948 /nfs/dbraw/zinc/43/19/48/608431948.db2.gz ZYEVOOXOYBCHPN-UHFFFAOYSA-N -1 3 393.632 3.742 20 0 GHADHM C[C@@H](NCc1csc(CCc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824625420 608459323 /nfs/dbraw/zinc/45/93/23/608459323.db2.gz HPBZIUMQDQITLA-OAHLLOKOSA-N -1 3 390.516 3.959 20 0 GHADHM CSc1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826231109 608469116 /nfs/dbraw/zinc/46/91/16/608469116.db2.gz XPDUFNLRSUACTA-UHFFFAOYSA-N -1 3 392.488 3.910 20 0 GHADHM CSc1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826231109 608469118 /nfs/dbraw/zinc/46/91/18/608469118.db2.gz XPDUFNLRSUACTA-UHFFFAOYSA-N -1 3 392.488 3.910 20 0 GHADHM O=C(c1ccc(F)c(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473446 608478325 /nfs/dbraw/zinc/47/83/25/608478325.db2.gz YKGRXVUTOQSZEB-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1ccc(F)c(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473446 608478326 /nfs/dbraw/zinc/47/83/26/608478326.db2.gz YKGRXVUTOQSZEB-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM CC(C)Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000824281016 608480083 /nfs/dbraw/zinc/48/00/83/608480083.db2.gz XLHQZOZOUIKCNZ-UHFFFAOYSA-N -1 3 387.487 3.995 20 0 GHADHM CC(C)Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000824281016 608480084 /nfs/dbraw/zinc/48/00/84/608480084.db2.gz XLHQZOZOUIKCNZ-UHFFFAOYSA-N -1 3 387.487 3.995 20 0 GHADHM C[C@@H](NCc1csc(CCc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627044 608482509 /nfs/dbraw/zinc/48/25/09/608482509.db2.gz SUIMEOIYIPLDEL-OAHLLOKOSA-N -1 3 390.516 3.959 20 0 GHADHM O=C(CCc1cccc(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409372 608483554 /nfs/dbraw/zinc/48/35/54/608483554.db2.gz VKVYZRGOHPAARM-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM O=C(CCc1cccc(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409372 608483555 /nfs/dbraw/zinc/48/35/55/608483555.db2.gz VKVYZRGOHPAARM-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM O=C(CC/C=C\c1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826405398 608485718 /nfs/dbraw/zinc/48/57/18/608485718.db2.gz DJZGUBRBSPLUID-YWEYNIOJSA-N -1 3 385.471 3.976 20 0 GHADHM O=C(CC/C=C\c1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826405398 608485719 /nfs/dbraw/zinc/48/57/19/608485719.db2.gz DJZGUBRBSPLUID-YWEYNIOJSA-N -1 3 385.471 3.976 20 0 GHADHM CS[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000826224822 608488541 /nfs/dbraw/zinc/48/85/41/608488541.db2.gz MLRZOWHCGGWWBQ-LJQANCHMSA-N -1 3 391.500 3.587 20 0 GHADHM CS[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000826224822 608488542 /nfs/dbraw/zinc/48/85/42/608488542.db2.gz MLRZOWHCGGWWBQ-LJQANCHMSA-N -1 3 391.500 3.587 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)cc1Cl ZINC000824634330 608535294 /nfs/dbraw/zinc/53/52/94/608535294.db2.gz VWYQISGURUYBFP-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)cc1Cl ZINC000824634330 608535295 /nfs/dbraw/zinc/53/52/95/608535295.db2.gz VWYQISGURUYBFP-SNVBAGLBSA-N -1 3 399.817 3.560 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccccc2OC(F)(F)F)s1 ZINC000825693854 608539769 /nfs/dbraw/zinc/53/97/69/608539769.db2.gz GOVSIOUBYVBNEI-UHFFFAOYSA-N -1 3 383.355 3.642 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccccc2OC(F)(F)F)s1 ZINC000825693854 608539771 /nfs/dbraw/zinc/53/97/71/608539771.db2.gz GOVSIOUBYVBNEI-UHFFFAOYSA-N -1 3 383.355 3.642 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1OC(F)(F)F ZINC000826460403 608540702 /nfs/dbraw/zinc/54/07/02/608540702.db2.gz BBXYLUVOHLXBER-UHFFFAOYSA-N -1 3 395.366 3.568 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1OC(F)(F)F ZINC000826460403 608540704 /nfs/dbraw/zinc/54/07/04/608540704.db2.gz BBXYLUVOHLXBER-UHFFFAOYSA-N -1 3 395.366 3.568 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824763590 608572977 /nfs/dbraw/zinc/57/29/77/608572977.db2.gz NTBPYDIVIYQPSD-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824763590 608572978 /nfs/dbraw/zinc/57/29/78/608572978.db2.gz NTBPYDIVIYQPSD-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826460366 608574870 /nfs/dbraw/zinc/57/48/70/608574870.db2.gz ZQRGYAOSQQWZDS-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826460366 608574872 /nfs/dbraw/zinc/57/48/72/608574872.db2.gz ZQRGYAOSQQWZDS-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824907526 608596841 /nfs/dbraw/zinc/59/68/41/608596841.db2.gz IKEBAVXDBQSNPY-UONOGXRCSA-N -1 3 393.451 3.706 20 0 GHADHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825981812 608651499 /nfs/dbraw/zinc/65/14/99/608651499.db2.gz YJRIOMBXGLXFQR-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825981812 608651500 /nfs/dbraw/zinc/65/15/00/608651500.db2.gz YJRIOMBXGLXFQR-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3Cc3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000826373122 608714953 /nfs/dbraw/zinc/71/49/53/608714953.db2.gz ZTPLZWQANIHIIN-MRXNPFEDSA-N -1 3 395.467 3.795 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3Cc3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000826373122 608714957 /nfs/dbraw/zinc/71/49/57/608714957.db2.gz ZTPLZWQANIHIIN-MRXNPFEDSA-N -1 3 395.467 3.795 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000824094624 608800190 /nfs/dbraw/zinc/80/01/90/608800190.db2.gz ZIHSDJGBSKVHPV-UHFFFAOYSA-N -1 3 394.479 3.727 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000824094624 608800192 /nfs/dbraw/zinc/80/01/92/608800192.db2.gz ZIHSDJGBSKVHPV-UHFFFAOYSA-N -1 3 394.479 3.727 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826236534 608860238 /nfs/dbraw/zinc/86/02/38/608860238.db2.gz QKHUGSJJCZGDKM-UHFFFAOYSA-N -1 3 391.479 3.750 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826236534 608860239 /nfs/dbraw/zinc/86/02/39/608860239.db2.gz QKHUGSJJCZGDKM-UHFFFAOYSA-N -1 3 391.479 3.750 20 0 GHADHM C[C@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824626105 609138324 /nfs/dbraw/zinc/13/83/24/609138324.db2.gz LXBQWZICJFNKQO-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@H](NCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824626105 609138326 /nfs/dbraw/zinc/13/83/26/609138326.db2.gz LXBQWZICJFNKQO-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380974 609162801 /nfs/dbraw/zinc/16/28/01/609162801.db2.gz XRFWNDKFKVDCCA-LSDHHAIUSA-N -1 3 393.495 3.566 20 0 GHADHM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380974 609162803 /nfs/dbraw/zinc/16/28/03/609162803.db2.gz XRFWNDKFKVDCCA-LSDHHAIUSA-N -1 3 393.495 3.566 20 0 GHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000824242772 609170586 /nfs/dbraw/zinc/17/05/86/609170586.db2.gz BHQVZZHGDHYDBQ-QWHCGFSZSA-N -1 3 380.290 3.635 20 0 GHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCC(F)(F)F ZINC000826210475 609173792 /nfs/dbraw/zinc/17/37/92/609173792.db2.gz SVUQTJXTIWIKGB-NSHDSACASA-N -1 3 393.369 3.990 20 0 GHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCC(F)(F)F ZINC000826210475 609173794 /nfs/dbraw/zinc/17/37/94/609173794.db2.gz SVUQTJXTIWIKGB-NSHDSACASA-N -1 3 393.369 3.990 20 0 GHADHM CC(Cl)(Cl)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824466274 609182975 /nfs/dbraw/zinc/18/29/75/609182975.db2.gz VWYCEHZPYYAHRT-UHFFFAOYSA-N -1 3 392.246 3.578 20 0 GHADHM CC(Cl)(Cl)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824466274 609182977 /nfs/dbraw/zinc/18/29/77/609182977.db2.gz VWYCEHZPYYAHRT-UHFFFAOYSA-N -1 3 392.246 3.578 20 0 GHADHM COc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc(Cl)c1OC ZINC000826179538 609199672 /nfs/dbraw/zinc/19/96/72/609199672.db2.gz SGXUKYZXVMLRBN-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM COc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc(Cl)c1OC ZINC000826179538 609199674 /nfs/dbraw/zinc/19/96/74/609199674.db2.gz SGXUKYZXVMLRBN-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427079 609225562 /nfs/dbraw/zinc/22/55/62/609225562.db2.gz FPVLHYQEVQSVLV-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427079 609225564 /nfs/dbraw/zinc/22/55/64/609225564.db2.gz FPVLHYQEVQSVLV-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM c1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc(OC[C@H]2CCCO2)c1 ZINC000826517265 609238167 /nfs/dbraw/zinc/23/81/67/609238167.db2.gz WPISWSFIPNPCQV-TZIWHRDSSA-N -1 3 391.475 3.914 20 0 GHADHM c1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(OC[C@H]2CCCO2)c1 ZINC000826517265 609238168 /nfs/dbraw/zinc/23/81/68/609238168.db2.gz WPISWSFIPNPCQV-TZIWHRDSSA-N -1 3 391.475 3.914 20 0 GHADHM Cc1cc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826262163 609241044 /nfs/dbraw/zinc/24/10/44/609241044.db2.gz FYYDEJVOCHXMKZ-ZDUSSCGKSA-N -1 3 398.536 3.679 20 0 GHADHM Cc1cc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826262163 609241045 /nfs/dbraw/zinc/24/10/45/609241045.db2.gz FYYDEJVOCHXMKZ-ZDUSSCGKSA-N -1 3 398.536 3.679 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824315053 609276307 /nfs/dbraw/zinc/27/63/07/609276307.db2.gz JQLXDWVXFORLPI-MRXNPFEDSA-N -1 3 381.480 3.981 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824315053 609276309 /nfs/dbraw/zinc/27/63/09/609276309.db2.gz JQLXDWVXFORLPI-MRXNPFEDSA-N -1 3 381.480 3.981 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662689 609276542 /nfs/dbraw/zinc/27/65/42/609276542.db2.gz PMLWGWFDMXNNIW-MAUKXSAKSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662689 609276545 /nfs/dbraw/zinc/27/65/45/609276545.db2.gz PMLWGWFDMXNNIW-MAUKXSAKSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662414 609279168 /nfs/dbraw/zinc/27/91/68/609279168.db2.gz JNSORYUBQDVVRP-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662414 609279169 /nfs/dbraw/zinc/27/91/69/609279169.db2.gz JNSORYUBQDVVRP-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000824120083 609289913 /nfs/dbraw/zinc/28/99/13/609289913.db2.gz XQCYNDZKROSCPY-UHFFFAOYSA-N -1 3 399.882 3.765 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000824120083 609289914 /nfs/dbraw/zinc/28/99/14/609289914.db2.gz XQCYNDZKROSCPY-UHFFFAOYSA-N -1 3 399.882 3.765 20 0 GHADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826432011 609297153 /nfs/dbraw/zinc/29/71/53/609297153.db2.gz PUVAXYAVJRKQNK-CQSZACIVSA-N -1 3 389.843 3.626 20 0 GHADHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826432011 609297155 /nfs/dbraw/zinc/29/71/55/609297155.db2.gz PUVAXYAVJRKQNK-CQSZACIVSA-N -1 3 389.843 3.626 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1C ZINC000825081062 609303781 /nfs/dbraw/zinc/30/37/81/609303781.db2.gz FFZLMCNXHFBDAJ-SNVBAGLBSA-N -1 3 385.497 3.535 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1C ZINC000825081062 609303783 /nfs/dbraw/zinc/30/37/83/609303783.db2.gz FFZLMCNXHFBDAJ-SNVBAGLBSA-N -1 3 385.497 3.535 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000825625756 609314682 /nfs/dbraw/zinc/31/46/82/609314682.db2.gz CWXCYKGWKALPER-UHFFFAOYSA-N -1 3 378.219 3.825 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000825625756 609314683 /nfs/dbraw/zinc/31/46/83/609314683.db2.gz CWXCYKGWKALPER-UHFFFAOYSA-N -1 3 378.219 3.825 20 0 GHADHM CCCOc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000825339295 609319843 /nfs/dbraw/zinc/31/98/43/609319843.db2.gz VTKBVTXIZGUSBL-UHFFFAOYSA-N -1 3 393.426 3.592 20 0 GHADHM Fc1ccc(Cl)cc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826374587 609320294 /nfs/dbraw/zinc/32/02/94/609320294.db2.gz FGLROAUQJKUYPN-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1Cl ZINC000826374644 609320417 /nfs/dbraw/zinc/32/04/17/609320417.db2.gz HJNLQXBWEZQVBY-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM C[C@@H](NCc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824625092 609324793 /nfs/dbraw/zinc/32/47/93/609324793.db2.gz FMCPXTGDDANRAC-SNVBAGLBSA-N -1 3 381.333 3.755 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825120004 609335248 /nfs/dbraw/zinc/33/52/48/609335248.db2.gz HJTVJDVVTBWLLA-CQSZACIVSA-N -1 3 397.504 3.873 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825120004 609335249 /nfs/dbraw/zinc/33/52/49/609335249.db2.gz HJTVJDVVTBWLLA-CQSZACIVSA-N -1 3 397.504 3.873 20 0 GHADHM Cn1cc(CNc2cccc(C(F)F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361650 609343595 /nfs/dbraw/zinc/34/35/95/609343595.db2.gz HHVNZSXVNIBFMY-UHFFFAOYSA-N -1 3 381.390 3.817 20 0 GHADHM Cn1cc(CNc2cccc(C(F)F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361650 609343597 /nfs/dbraw/zinc/34/35/97/609343597.db2.gz HHVNZSXVNIBFMY-UHFFFAOYSA-N -1 3 381.390 3.817 20 0 GHADHM C[C@@H](c1cccs1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770368 609358366 /nfs/dbraw/zinc/35/83/66/609358366.db2.gz JNKLSIQTSONKCQ-JTQLQIEISA-N -1 3 378.299 3.884 20 0 GHADHM C[C@@H](c1cccs1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770368 609358369 /nfs/dbraw/zinc/35/83/69/609358369.db2.gz JNKLSIQTSONKCQ-JTQLQIEISA-N -1 3 378.299 3.884 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1c1ccco1 ZINC000823820528 609360146 /nfs/dbraw/zinc/36/01/46/609360146.db2.gz GQAXUEHPTLBFEX-HNNXBMFYSA-N -1 3 388.269 3.949 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1cc(F)ccc1F ZINC000824613920 609367650 /nfs/dbraw/zinc/36/76/50/609367650.db2.gz YJLYHMSKIRKILM-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cc(F)ccc1F ZINC000824613920 609367654 /nfs/dbraw/zinc/36/76/54/609367654.db2.gz YJLYHMSKIRKILM-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM CC1(C)CC[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000824795886 609375727 /nfs/dbraw/zinc/37/57/27/609375727.db2.gz HSNFDPOOERQSKC-CQSZACIVSA-N -1 3 382.493 3.679 20 0 GHADHM CC1(C)CC[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000824795886 609375730 /nfs/dbraw/zinc/37/57/30/609375730.db2.gz HSNFDPOOERQSKC-CQSZACIVSA-N -1 3 382.493 3.679 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000826273686 609376760 /nfs/dbraw/zinc/37/67/60/609376760.db2.gz PQJINACRIUNVNY-GFCCVEGCSA-N -1 3 379.445 3.988 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826273686 609376762 /nfs/dbraw/zinc/37/67/62/609376762.db2.gz PQJINACRIUNVNY-GFCCVEGCSA-N -1 3 379.445 3.988 20 0 GHADHM O=C(Nc1cc(Cl)ccn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826451724 609379724 /nfs/dbraw/zinc/37/97/24/609379724.db2.gz TUGASOXRZRTWBS-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cc(Cl)ccn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826451724 609379727 /nfs/dbraw/zinc/37/97/27/609379727.db2.gz TUGASOXRZRTWBS-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273723 609393432 /nfs/dbraw/zinc/39/34/32/609393432.db2.gz QZTVEQVTDKFKBA-LBPRGKRZSA-N -1 3 379.445 3.988 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273723 609393435 /nfs/dbraw/zinc/39/34/35/609393435.db2.gz QZTVEQVTDKFKBA-LBPRGKRZSA-N -1 3 379.445 3.988 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824952779 609400839 /nfs/dbraw/zinc/40/08/39/609400839.db2.gz ASNAVOIUPMBBRH-SUMWQHHRSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824952779 609400842 /nfs/dbraw/zinc/40/08/42/609400842.db2.gz ASNAVOIUPMBBRH-SUMWQHHRSA-N -1 3 397.479 3.838 20 0 GHADHM Cc1nc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)s1 ZINC000826323477 609425880 /nfs/dbraw/zinc/42/58/80/609425880.db2.gz FUWDZNXYFBNXQI-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)s1 ZINC000826323477 609425881 /nfs/dbraw/zinc/42/58/81/609425881.db2.gz FUWDZNXYFBNXQI-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826441195 609438742 /nfs/dbraw/zinc/43/87/42/609438742.db2.gz SKSVDKMAWPTKTR-LJQANCHMSA-N -1 3 376.464 3.597 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826441195 609438744 /nfs/dbraw/zinc/43/87/44/609438744.db2.gz SKSVDKMAWPTKTR-LJQANCHMSA-N -1 3 376.464 3.597 20 0 GHADHM c1sc2ccccc2c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826512707 609440876 /nfs/dbraw/zinc/44/08/76/609440876.db2.gz KZQTXNMSFJYKGT-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1sc2ccccc2c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826512707 609440878 /nfs/dbraw/zinc/44/08/78/609440878.db2.gz KZQTXNMSFJYKGT-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000826170832 609446108 /nfs/dbraw/zinc/44/61/08/609446108.db2.gz QVRVTTDZDGFMMQ-UHFFFAOYSA-N -1 3 389.406 3.943 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000826170832 609446109 /nfs/dbraw/zinc/44/61/09/609446109.db2.gz QVRVTTDZDGFMMQ-UHFFFAOYSA-N -1 3 389.406 3.943 20 0 GHADHM Cc1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(-c2ccccc2)s1 ZINC000826323650 609451128 /nfs/dbraw/zinc/45/11/28/609451128.db2.gz LYVRUSYGMCFLJD-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(-c2ccccc2)s1 ZINC000826323650 609451130 /nfs/dbraw/zinc/45/11/30/609451130.db2.gz LYVRUSYGMCFLJD-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nccn1CCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826330668 609451595 /nfs/dbraw/zinc/45/15/95/609451595.db2.gz CQJJWSGUITUUKT-UHFFFAOYSA-N -1 3 382.415 3.963 20 0 GHADHM Clc1cc(NCc2csnn2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350994 609484392 /nfs/dbraw/zinc/48/43/92/609484392.db2.gz SOZYYHGXCDKLBU-UHFFFAOYSA-N -1 3 399.867 3.563 20 0 GHADHM Clc1cc(NCc2csnn2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350994 609484395 /nfs/dbraw/zinc/48/43/95/609484395.db2.gz SOZYYHGXCDKLBU-UHFFFAOYSA-N -1 3 399.867 3.563 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2nccc3ccccc32)cc1-c1nnn[n-]1 ZINC000825553774 609490565 /nfs/dbraw/zinc/49/05/65/609490565.db2.gz WCVYFPUKHWOOEB-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2nccc3ccccc32)cc1-c1nn[n-]n1 ZINC000825553774 609490567 /nfs/dbraw/zinc/49/05/67/609490567.db2.gz WCVYFPUKHWOOEB-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824329085 609492472 /nfs/dbraw/zinc/49/24/72/609492472.db2.gz HXEZVPHHUKLQEA-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]nc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824329085 609492474 /nfs/dbraw/zinc/49/24/74/609492474.db2.gz HXEZVPHHUKLQEA-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM COc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1SC ZINC000826179518 609493235 /nfs/dbraw/zinc/49/32/35/609493235.db2.gz RPUMKZRYDRNVRH-UHFFFAOYSA-N -1 3 385.493 3.997 20 0 GHADHM COc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1SC ZINC000826179518 609493238 /nfs/dbraw/zinc/49/32/38/609493238.db2.gz RPUMKZRYDRNVRH-UHFFFAOYSA-N -1 3 385.493 3.997 20 0 GHADHM CCCc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cnn1C1CCCC1 ZINC000825348483 609499587 /nfs/dbraw/zinc/49/95/87/609499587.db2.gz MXMMBKGMUBPCAW-UHFFFAOYSA-N -1 3 379.468 3.692 20 0 GHADHM CCCc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cnn1C1CCCC1 ZINC000825348483 609499589 /nfs/dbraw/zinc/49/95/89/609499589.db2.gz MXMMBKGMUBPCAW-UHFFFAOYSA-N -1 3 379.468 3.692 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826291260 609505825 /nfs/dbraw/zinc/50/58/25/609505825.db2.gz XDUALDYUNBEPGZ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826291260 609505827 /nfs/dbraw/zinc/50/58/27/609505827.db2.gz XDUALDYUNBEPGZ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CCO1 ZINC000825255694 609508650 /nfs/dbraw/zinc/50/86/50/609508650.db2.gz YNKXWGUGLCACMP-YNEHKIRRSA-N -1 3 389.525 3.587 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CCO1 ZINC000825255694 609508651 /nfs/dbraw/zinc/50/86/51/609508651.db2.gz YNKXWGUGLCACMP-YNEHKIRRSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000824148412 609531689 /nfs/dbraw/zinc/53/16/89/609531689.db2.gz UAZVOPSADCPUCR-MRXNPFEDSA-N -1 3 394.479 3.570 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000824148412 609531691 /nfs/dbraw/zinc/53/16/91/609531691.db2.gz UAZVOPSADCPUCR-MRXNPFEDSA-N -1 3 394.479 3.570 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCO1 ZINC000825182893 609532220 /nfs/dbraw/zinc/53/22/20/609532220.db2.gz MDOLPLPOBUJQLI-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCO1 ZINC000825182893 609532221 /nfs/dbraw/zinc/53/22/21/609532221.db2.gz MDOLPLPOBUJQLI-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM Cc1c(Cl)cnc(N(Cc2ccccc2)CC2CCOCC2)c1-c1nnn[n-]1 ZINC000826237244 609550197 /nfs/dbraw/zinc/55/01/97/609550197.db2.gz TXJLKSPTGLHRBG-UHFFFAOYSA-N -1 3 398.898 3.657 20 0 GHADHM Cc1c(Cl)cnc(N(Cc2ccccc2)CC2CCOCC2)c1-c1nn[n-]n1 ZINC000826237244 609550198 /nfs/dbraw/zinc/55/01/98/609550198.db2.gz TXJLKSPTGLHRBG-UHFFFAOYSA-N -1 3 398.898 3.657 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000826239007 609566990 /nfs/dbraw/zinc/56/69/90/609566990.db2.gz VWZRUURYVNHZTC-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826239007 609566993 /nfs/dbraw/zinc/56/69/93/609566993.db2.gz VWZRUURYVNHZTC-LBPRGKRZSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(C)c2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826299340 609591853 /nfs/dbraw/zinc/59/18/53/609591853.db2.gz AFDBDEOOPBAVLH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(C)c2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826299340 609591855 /nfs/dbraw/zinc/59/18/55/609591855.db2.gz AFDBDEOOPBAVLH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC(C)(C)C1 ZINC000824868858 609604535 /nfs/dbraw/zinc/60/45/35/609604535.db2.gz XCIXPEHOKCUQRL-DNVCBOLYSA-N -1 3 379.508 3.945 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824868858 609604537 /nfs/dbraw/zinc/60/45/37/609604537.db2.gz XCIXPEHOKCUQRL-DNVCBOLYSA-N -1 3 379.508 3.945 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825183985 609623750 /nfs/dbraw/zinc/62/37/50/609623750.db2.gz QGSGYAWDGJMTRF-QZTJIDSGSA-N -1 3 392.459 3.782 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825183985 609623751 /nfs/dbraw/zinc/62/37/51/609623751.db2.gz QGSGYAWDGJMTRF-QZTJIDSGSA-N -1 3 392.459 3.782 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCCO1 ZINC000655664006 837560454 /nfs/dbraw/zinc/56/04/54/837560454.db2.gz CYGJGSRWDYLFFV-QWHCGFSZSA-N -1 3 396.734 3.729 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)(F)F)C3)c(C)c1 ZINC000414389162 837591327 /nfs/dbraw/zinc/59/13/27/837591327.db2.gz PBMZMPTVSODXKV-UHFFFAOYSA-N -1 3 384.423 3.982 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)cc1 ZINC000414392113 837667663 /nfs/dbraw/zinc/66/76/63/837667663.db2.gz CUJSXPKDEVIVHV-CYBMUJFWSA-N -1 3 378.469 3.842 20 0 GHADHM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000017322643 837675083 /nfs/dbraw/zinc/67/50/83/837675083.db2.gz QLUHPNHFMWPLDQ-UHFFFAOYSA-N -1 3 378.469 3.855 20 0 GHADHM O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000376251242 837684540 /nfs/dbraw/zinc/68/45/40/837684540.db2.gz RXOCSHBBRQMICU-FXAWDEMLSA-N -1 3 384.382 3.536 20 0 GHADHM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1OC(C)C ZINC000173379001 837697862 /nfs/dbraw/zinc/69/78/62/837697862.db2.gz NCBCRBKJAOGNGV-GOSISDBHSA-N -1 3 382.460 3.731 20 0 GHADHM Cc1ccc(C(=O)[N-]NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)nc1 ZINC000160184069 834420942 /nfs/dbraw/zinc/42/09/42/834420942.db2.gz RHLUFCJSVSXKEI-UHFFFAOYSA-N -1 3 388.802 3.694 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cc(I)ccc3C)no2)n1 ZINC001213699828 834512727 /nfs/dbraw/zinc/51/27/27/834512727.db2.gz YQDFTLKFHCKQNQ-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM CCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC1 ZINC000579805877 834831661 /nfs/dbraw/zinc/83/16/61/834831661.db2.gz RPYBDIMREWRORG-CQSZACIVSA-N -1 3 377.282 3.989 20 0 GHADHM COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000536218251 834840662 /nfs/dbraw/zinc/84/06/62/834840662.db2.gz ASZHOSZJUIGRLD-UHFFFAOYSA-N -1 3 389.864 3.971 20 0 GHADHM O=C(OCC[C@@H]1CCCCO1)c1n[n-]c(-c2ccccc2)c1Br ZINC000784935686 835071332 /nfs/dbraw/zinc/07/13/32/835071332.db2.gz FLPSIGXPNPAXLC-ZDUSSCGKSA-N -1 3 379.254 3.955 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(F)c(F)c(F)c1 ZINC000157544844 835217027 /nfs/dbraw/zinc/21/70/27/835217027.db2.gz ZDKMEGQJUIFMGN-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM CS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000109085094 835273039 /nfs/dbraw/zinc/27/30/39/835273039.db2.gz SFYPIMUMGFTQLT-CQSZACIVSA-N -1 3 378.519 3.794 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccccc1Br ZINC000431625217 835333732 /nfs/dbraw/zinc/33/37/32/835333732.db2.gz NURGVPYHOUSBHT-ZDUSSCGKSA-N -1 3 376.222 3.734 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1csc(-c2ccccn2)n1 ZINC000176959474 835394601 /nfs/dbraw/zinc/39/46/01/835394601.db2.gz PLBKSDSPKYBFMS-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2CCCCCCC2)cc1OC ZINC000065752517 835445772 /nfs/dbraw/zinc/44/57/72/835445772.db2.gz NOSVGJXPRJGNRN-UHFFFAOYSA-N -1 3 383.514 3.691 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3Br)c1 ZINC000069532102 835505938 /nfs/dbraw/zinc/50/59/38/835505938.db2.gz MWHQISYTHZXNLA-INIZCTEOSA-N -1 3 389.249 3.530 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000158700063 835505983 /nfs/dbraw/zinc/50/59/83/835505983.db2.gz PVRRKBOSGYKWAH-ONGXEEELSA-N -1 3 399.818 3.526 20 0 GHADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1C1CC1 ZINC000472312513 835656738 /nfs/dbraw/zinc/65/67/38/835656738.db2.gz DYRMGQYRTFLDRD-SCZZXKLOSA-N -1 3 383.728 3.550 20 0 GHADHM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000584113200 835662031 /nfs/dbraw/zinc/66/20/31/835662031.db2.gz GCXFTVMHUBDQTC-GOSISDBHSA-N -1 3 377.510 3.517 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cccc(COCCOc2ccccc2)c1 ZINC000471192732 835679735 /nfs/dbraw/zinc/67/97/35/835679735.db2.gz ZEMFLWCYXOYHRO-UHFFFAOYSA-N -1 3 393.443 3.705 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OCc2cccnc2)cc1 ZINC000548872821 835696927 /nfs/dbraw/zinc/69/69/27/835696927.db2.gz GTMNCXZMBVRVBO-ZDUSSCGKSA-N -1 3 391.406 3.562 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)cs1 ZINC000107703979 835703981 /nfs/dbraw/zinc/70/39/81/835703981.db2.gz ADSWWQGDGNXFDW-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM CCc1c(NC(=O)NCc2ccc([O-])c(Br)c2)cnn1CC(C)C ZINC000127568721 835848636 /nfs/dbraw/zinc/84/86/36/835848636.db2.gz ADSVAGJGEOIJIP-UHFFFAOYSA-N -1 3 395.301 3.891 20 0 GHADHM O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000511329026 835913230 /nfs/dbraw/zinc/91/32/30/835913230.db2.gz UQYGXGMMPUIEQJ-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)[nH][n-]2)c1 ZINC000512540116 844112725 /nfs/dbraw/zinc/11/27/25/844112725.db2.gz JYNAMBDTSBGVAP-QGZVFWFLSA-N -1 3 388.471 3.645 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CCN1Cc1ccccc1 ZINC000180096389 836072299 /nfs/dbraw/zinc/07/22/99/836072299.db2.gz KFCIFSVQSWZGHS-ZDUSSCGKSA-N -1 3 378.394 3.546 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000429961369 844126773 /nfs/dbraw/zinc/12/67/73/844126773.db2.gz KNLBQDNBALTPSP-HNNXBMFYSA-N -1 3 399.292 3.615 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)Cc2ccc(C)cc2)cc1OC ZINC000180818149 836273662 /nfs/dbraw/zinc/27/36/62/836273662.db2.gz GBLUTGSVRFJJAY-OAHLLOKOSA-N -1 3 390.505 3.583 20 0 GHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429977350 844154881 /nfs/dbraw/zinc/15/48/81/844154881.db2.gz APSILOUHVCUXCV-LALPHHSUSA-N -1 3 377.286 3.704 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(N2CCCCC2)cc1 ZINC000511354273 836326410 /nfs/dbraw/zinc/32/64/10/836326410.db2.gz BWJNAJAULAIFPC-UHFFFAOYSA-N -1 3 399.292 3.761 20 0 GHADHM Cc1ncsc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000473284963 844154132 /nfs/dbraw/zinc/15/41/32/844154132.db2.gz TXAFFFXGTVGMFS-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM C[C@@H]1CCc2c(sc3[n-]c(-c4ccc(S(C)(=O)=O)s4)nc(=O)c23)C1 ZINC000414172170 836394747 /nfs/dbraw/zinc/39/47/47/836394747.db2.gz FCCJSUQTLDYAQN-MRVPVSSYSA-N -1 3 380.516 3.654 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000178162465 836446865 /nfs/dbraw/zinc/44/68/65/836446865.db2.gz LUBUTMJGHMMOIZ-HZPDHXFCSA-N -1 3 380.444 3.597 20 0 GHADHM C[C@H](C#N)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000023416177 837007753 /nfs/dbraw/zinc/00/77/53/837007753.db2.gz PIZLLUPOAPCINX-SNVBAGLBSA-N -1 3 399.255 3.863 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867195 837037904 /nfs/dbraw/zinc/03/79/04/837037904.db2.gz JWAXLSQEWYRTLN-SECBINFHSA-N -1 3 399.806 3.708 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000471303585 837153993 /nfs/dbraw/zinc/15/39/93/837153993.db2.gz HFMGKVQFLVBGDB-UHFFFAOYSA-N -1 3 388.464 3.828 20 0 GHADHM O=C([O-])CC1(CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCCCC1 ZINC000276979007 844241326 /nfs/dbraw/zinc/24/13/26/844241326.db2.gz IBVOZRIAVNGFCK-UHFFFAOYSA-N -1 3 380.851 3.575 20 0 GHADHM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c(CN(C)C)c1 ZINC000176286670 837253871 /nfs/dbraw/zinc/25/38/71/837253871.db2.gz DUGOTUAOYBKYCW-UHFFFAOYSA-N -1 3 382.439 3.648 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000186579261 837301514 /nfs/dbraw/zinc/30/15/14/837301514.db2.gz IATYQIYMOFUQRR-AWEZNQCLSA-N -1 3 388.895 3.621 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@H](c4nncn4C4CC4)C3)c2c1 ZINC000579956263 838031423 /nfs/dbraw/zinc/03/14/23/838031423.db2.gz IPWYODGGPOJZCA-AWEZNQCLSA-N -1 3 377.448 3.552 20 0 GHADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000728260777 838068486 /nfs/dbraw/zinc/06/84/86/838068486.db2.gz OSRGJWACYHLYDD-WMLDXEAASA-N -1 3 384.517 3.601 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000468625302 838074270 /nfs/dbraw/zinc/07/42/70/838074270.db2.gz MYMGKDQCUAEAGH-UHFFFAOYSA-N -1 3 394.468 3.563 20 0 GHADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC000431853506 838182800 /nfs/dbraw/zinc/18/28/00/838182800.db2.gz IKQVSGBEJVXBMI-KRWDZBQOSA-N -1 3 381.798 3.665 20 0 GHADHM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000134993853 838315306 /nfs/dbraw/zinc/31/53/06/838315306.db2.gz CDRUSCWCRXPVEI-MOPGFXCFSA-N -1 3 378.472 3.536 20 0 GHADHM O=S(=O)(CCc1cccs1)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000378037984 838329763 /nfs/dbraw/zinc/32/97/63/838329763.db2.gz CUAKZYJRINBYPO-UHFFFAOYSA-N -1 3 385.417 3.720 20 0 GHADHM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000430470105 838423923 /nfs/dbraw/zinc/42/39/23/838423923.db2.gz GCTRJFSQJDWXDP-HOCLYGCPSA-N -1 3 390.480 3.887 20 0 GHADHM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000430470103 838424122 /nfs/dbraw/zinc/42/41/22/838424122.db2.gz GCTRJFSQJDWXDP-GOEBONIOSA-N -1 3 390.480 3.887 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cccc(Cl)c1 ZINC000311459213 838459817 /nfs/dbraw/zinc/45/98/17/838459817.db2.gz FKXVFDYINOJBHH-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COC(=O)C1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000609316192 838462742 /nfs/dbraw/zinc/46/27/42/838462742.db2.gz HQSOWBBMSKXJRX-UHFFFAOYSA-N -1 3 381.472 3.639 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2cccc(C)c2)c1 ZINC000179508605 838548474 /nfs/dbraw/zinc/54/84/74/838548474.db2.gz RWQDPEWZRDWHDF-UHFFFAOYSA-N -1 3 393.443 3.914 20 0 GHADHM COc1c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(C)nn1C ZINC000179932148 838555697 /nfs/dbraw/zinc/55/56/97/838555697.db2.gz KOUQZBBFVHZFFG-UHFFFAOYSA-N -1 3 394.456 3.972 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548040416 838663047 /nfs/dbraw/zinc/66/30/47/838663047.db2.gz SJTGLCJRLGLYEC-UHFFFAOYSA-N -1 3 388.411 3.576 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3(C)C)c2)n1 ZINC000275756081 838707637 /nfs/dbraw/zinc/70/76/37/838707637.db2.gz YZWNCBMKBPNBJU-DYVFJYSZSA-N -1 3 381.476 3.992 20 0 GHADHM Cc1ccc(-n2cccn2)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000188268563 838728910 /nfs/dbraw/zinc/72/89/10/838728910.db2.gz BOEXJPZOEZCBDU-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000182891155 838847615 /nfs/dbraw/zinc/84/76/15/838847615.db2.gz WQUXQKSJHQTCQF-LZJOCLMNSA-N -1 3 380.488 3.758 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n[n-]2)o1 ZINC000160380213 838878946 /nfs/dbraw/zinc/87/89/46/838878946.db2.gz NJFFTCVKIZWRPQ-UHFFFAOYSA-N -1 3 383.408 3.972 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000893219733 839005638 /nfs/dbraw/zinc/00/56/38/839005638.db2.gz ILTQWJFDJIUIQG-BBRMVZONSA-N -1 3 377.282 3.807 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[O-] ZINC000613654035 839150696 /nfs/dbraw/zinc/15/06/96/839150696.db2.gz YZJKULJTVAFRLE-ZWKOTPCHSA-N -1 3 394.254 3.632 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052433052 844407100 /nfs/dbraw/zinc/40/71/00/844407100.db2.gz BUFLDZBUJHKDDX-UGSOOPFHSA-N -1 3 393.484 3.605 20 0 GHADHM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000182873582 839172181 /nfs/dbraw/zinc/17/21/81/839172181.db2.gz CQKNGTFVZONGKC-UHFFFAOYSA-N -1 3 384.823 3.523 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4nnc(C5CCC5)n4c3)c[n-]c12 ZINC000189343623 839329302 /nfs/dbraw/zinc/32/93/02/839329302.db2.gz RVUJUSGBDIYJKZ-UHFFFAOYSA-N -1 3 391.406 3.538 20 0 GHADHM CCOc1cc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000163721409 839364655 /nfs/dbraw/zinc/36/46/55/839364655.db2.gz OIVBBESJHHFPTK-UHFFFAOYSA-N -1 3 398.381 3.873 20 0 GHADHM COC1CCC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000416538720 839385766 /nfs/dbraw/zinc/38/57/66/839385766.db2.gz BJFDLYVCMSBFHF-UHFFFAOYSA-N -1 3 386.926 3.699 20 0 GHADHM FC1(F)CCC(N=c2cc(NC3CCC(F)(F)CC3)n3[n-]cnc3n2)CC1 ZINC000330108551 839537594 /nfs/dbraw/zinc/53/75/94/839537594.db2.gz NUHUEBPNWZSAPY-UHFFFAOYSA-N -1 3 386.397 3.526 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1c(Cl)cccc1Br ZINC000314301575 839747818 /nfs/dbraw/zinc/74/78/18/839747818.db2.gz YNDQZFHMRQIJBG-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1ccc(-c2csc(C[S@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000580539602 839772511 /nfs/dbraw/zinc/77/25/11/839772511.db2.gz VTBCRFMMMJPQAS-AREMUKBSSA-N -1 3 385.514 3.940 20 0 GHADHM CSc1nc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2s1 ZINC000019682764 839810221 /nfs/dbraw/zinc/81/02/21/839810221.db2.gz NSFFKOVOSQKVDU-UHFFFAOYSA-N -1 3 398.513 3.766 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616826149 839933641 /nfs/dbraw/zinc/93/36/41/839933641.db2.gz IMMAXEMORYKGHO-OAHLLOKOSA-N -1 3 388.880 3.641 20 0 GHADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1Cl ZINC000318756920 840200736 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GHADHM O=c1nc(CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000933013372 840448469 /nfs/dbraw/zinc/44/84/69/840448469.db2.gz VZVPVFVLSTXAHZ-OTYXRUKQSA-N -1 3 399.394 3.714 20 0 GHADHM C[C@H](C(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1)n1cccn1 ZINC000431920397 840453909 /nfs/dbraw/zinc/45/39/09/840453909.db2.gz DLTUOYQDIAVXAZ-GFCCVEGCSA-N -1 3 384.823 3.694 20 0 GHADHM O[C@H](COc1ccccc1)CSc1nnc([N-]c2ccccc2F)s1 ZINC000015232652 840471748 /nfs/dbraw/zinc/47/17/48/840471748.db2.gz VTNLAPQHVXRVOI-GFCCVEGCSA-N -1 3 377.466 3.953 20 0 GHADHM Cc1ncc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000500426861 840480014 /nfs/dbraw/zinc/48/00/14/840480014.db2.gz HCDIBKMCRKYGPI-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)c(=O)[n-]1 ZINC000511757889 840647857 /nfs/dbraw/zinc/64/78/57/840647857.db2.gz RCOPBMLWJJPBFE-GOSISDBHSA-N -1 3 389.377 3.915 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047271536 840731536 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CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)CCCC(=O)[O-])ccc21 ZINC000430667616 842416164 /nfs/dbraw/zinc/41/61/64/842416164.db2.gz WCCDHHKUBPOOCM-HNNXBMFYSA-N -1 3 381.476 3.938 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C(F)(F)F)o1 ZINC000471782609 842503247 /nfs/dbraw/zinc/50/32/47/842503247.db2.gz VCOYVJZYQQCVPK-UHFFFAOYSA-N -1 3 377.322 3.918 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2occc2COc2ccccc2)c1 ZINC000247492305 842526723 /nfs/dbraw/zinc/52/67/23/842526723.db2.gz BXHOBLSHSYBHTK-UHFFFAOYSA-N -1 3 389.404 3.654 20 0 GHADHM O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc([O-])ccc1Cl ZINC000365459184 842531897 /nfs/dbraw/zinc/53/18/97/842531897.db2.gz GDXNJYVRMKSFFJ-UHFFFAOYSA-N -1 3 375.787 3.597 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2C[C@H](OC)C[C@@H]2CC(=O)[O-])on1 ZINC000652503602 842634922 /nfs/dbraw/zinc/63/49/22/842634922.db2.gz XCAQFESELPOQLB-HZPDHXFCSA-N -1 3 396.443 3.567 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc1CC ZINC000432497163 842702024 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20 0 GHADHM Cc1ccncc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000657083242 843073067 /nfs/dbraw/zinc/07/30/67/843073067.db2.gz UWFMQGPQAYGHCL-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM C[C@@]1(C(F)F)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000662371024 843171804 /nfs/dbraw/zinc/17/18/04/843171804.db2.gz SCXDBMDDIPDZDJ-KRWDZBQOSA-N -1 3 381.404 3.513 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1csc(-c2ccc(Cl)cc2)n1 ZINC000471879565 843202604 /nfs/dbraw/zinc/20/26/04/843202604.db2.gz DKBAJHRMSLVUCR-RBSFLKMASA-N -1 3 398.937 3.699 20 0 GHADHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)o1 ZINC000610590717 843225662 /nfs/dbraw/zinc/22/56/62/843225662.db2.gz QFDBPBPCJNLKQQ-UHFFFAOYSA-N -1 3 399.877 3.803 20 0 GHADHM COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000051377447 843290106 /nfs/dbraw/zinc/29/01/06/843290106.db2.gz RKHYCANLZXYPLP-UHFFFAOYSA-N -1 3 381.472 3.863 20 0 GHADHM CC[C@](NCc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)OC)c1ccccc1 ZINC000512291494 843326863 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CC(C)Cc1nnc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)s1 ZINC000041759824 843581481 /nfs/dbraw/zinc/58/14/81/843581481.db2.gz DCTQCDBABVCCKC-UHFFFAOYSA-N -1 3 396.398 3.588 20 0 GHADHM CSC[C@H](C)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000500585540 843671473 /nfs/dbraw/zinc/67/14/73/843671473.db2.gz CHOCNYRYYLAJOG-QMMMGPOBSA-N -1 3 388.718 3.852 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)c(=O)[n-]1 ZINC000899660426 861447295 /nfs/dbraw/zinc/44/72/95/861447295.db2.gz SPIKTZSUFNNNPX-SECBINFHSA-N -1 3 385.411 3.831 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C)c(C)c2)cc1Cl ZINC000657121799 843796332 /nfs/dbraw/zinc/79/63/32/843796332.db2.gz WOLUCYHGHLSRDN-UHFFFAOYSA-N -1 3 398.887 3.575 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1Cl ZINC000431183797 843834767 /nfs/dbraw/zinc/83/47/67/843834767.db2.gz QUYGDLVSDWAERJ-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1 ZINC000500788098 844010434 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CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCC3)c1 ZINC000421145223 847781068 /nfs/dbraw/zinc/78/10/68/847781068.db2.gz CNMGOKXOQOZICI-UHFFFAOYSA-N -1 3 394.880 3.814 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000582740518 848254661 /nfs/dbraw/zinc/25/46/61/848254661.db2.gz SJCKTWJGURMEOG-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)cc2)cc(=O)[n-]1 ZINC000548764526 848289252 /nfs/dbraw/zinc/28/92/52/848289252.db2.gz WQVNSMSFVJUZNH-GDBMZVCRSA-N -1 3 392.406 3.830 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1C ZINC000731783206 861890489 /nfs/dbraw/zinc/89/04/89/861890489.db2.gz VALCZHAVMPRLBC-UHFFFAOYSA-N -1 3 396.459 3.991 20 0 GHADHM CCC[C@H](NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000582845027 848550721 /nfs/dbraw/zinc/55/07/21/848550721.db2.gz AOGNMBQYNUUVJH-XGARDCMYSA-N -1 3 394.515 3.833 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2cccs2)Cc2cccs2)c(=O)[n-]1 ZINC000120695386 848613408 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GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c1C ZINC000514988636 850579574 /nfs/dbraw/zinc/57/95/74/850579574.db2.gz POSZXASIAJPVOE-UHFFFAOYSA-N -1 3 391.493 3.644 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000604407125 862147360 /nfs/dbraw/zinc/14/73/60/862147360.db2.gz WJPGMMFZAAWBSK-ZDUSSCGKSA-N -1 3 385.316 3.941 20 0 GHADHM Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1C ZINC000909698197 850703941 /nfs/dbraw/zinc/70/39/41/850703941.db2.gz ZUPUQBYQFCDHPT-TZIWHRDSSA-N -1 3 398.478 3.597 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000440095995 850787141 /nfs/dbraw/zinc/78/71/41/850787141.db2.gz YBFVTUFOBKQLLL-MRXNPFEDSA-N -1 3 391.515 3.889 20 0 GHADHM COC(=O)c1ccc(-c2nc(Cc3ccc(Br)c(C)c3)no2)[n-]1 ZINC000426584319 850845326 /nfs/dbraw/zinc/84/53/26/850845326.db2.gz PLUHTFDPLRFBEU-UHFFFAOYSA-N -1 3 376.210 3.513 20 0 GHADHM Cc1cc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000434228289 850907521 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Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1 ZINC000519470405 851093013 /nfs/dbraw/zinc/09/30/13/851093013.db2.gz DRHAFDQIEYAFPV-UHFFFAOYSA-N -1 3 389.202 3.606 20 0 GHADHM C[C@H](c1ccncc1)N1CCC(Nc2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000910298861 851111104 /nfs/dbraw/zinc/11/11/04/851111104.db2.gz KKJQALJRVKKXEE-GFCCVEGCSA-N -1 3 394.397 3.831 20 0 GHADHM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000910367407 851157905 /nfs/dbraw/zinc/15/79/05/851157905.db2.gz GSUYWOFQGVSVRX-TZIWHRDSSA-N -1 3 398.478 3.678 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C3)c2c1 ZINC000910396703 851189821 /nfs/dbraw/zinc/18/98/21/851189821.db2.gz ZEHGCUUJEXMWOB-BETUJISGSA-N -1 3 381.398 3.703 20 0 GHADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000436096430 851213285 /nfs/dbraw/zinc/21/32/85/851213285.db2.gz FQZPLUYSNZAZSN-OAHLLOKOSA-N -1 3 391.349 3.694 20 0 GHADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCc1cnc(C)[n-]c1=O 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KWWLJSAAFITOBJ-HXUWFJFHSA-N -1 3 392.411 3.723 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000732393986 862257433 /nfs/dbraw/zinc/25/74/33/862257433.db2.gz GTLSHZXUHVQIKU-QMMMGPOBSA-N -1 3 388.729 3.643 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc2)CC1 ZINC000911245870 851641422 /nfs/dbraw/zinc/64/14/22/851641422.db2.gz CXSYBGMFFDNYIB-RQMBKDMJSA-N -1 3 382.460 3.580 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(OC(F)(F)F)c1 ZINC000488673811 851699602 /nfs/dbraw/zinc/69/96/02/851699602.db2.gz GREPPBXGIYZSSU-UHFFFAOYSA-N -1 3 390.155 3.983 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3oc(C)nc3c2)[nH][n-]1 ZINC000473702162 851709754 /nfs/dbraw/zinc/70/97/54/851709754.db2.gz SMTAEVWTRZYPPP-UHFFFAOYSA-N -1 3 382.807 3.863 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(CN(C)C)cc1F)C(=O)[O-] ZINC000911508327 851768271 /nfs/dbraw/zinc/76/82/71/851768271.db2.gz HFTQYXCINSCEKX-GFCCVEGCSA-N -1 3 376.453 3.705 20 0 GHADHM Cc1cc(F)c(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000911684795 851849569 /nfs/dbraw/zinc/84/95/69/851849569.db2.gz TZFLBALJPMBIFJ-HNNXBMFYSA-N -1 3 388.414 3.822 20 0 GHADHM CC(C)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC(C)(C)C ZINC000042980085 851927361 /nfs/dbraw/zinc/92/73/61/851927361.db2.gz NFCSAQDPTJYKHT-OAHLLOKOSA-N -1 3 399.520 3.553 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000489023380 851940370 /nfs/dbraw/zinc/94/03/70/851940370.db2.gz PSTSBMOEGYSPES-GFCCVEGCSA-N -1 3 382.641 3.601 20 0 GHADHM CCN(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1ccccc1C ZINC000517423702 851946407 /nfs/dbraw/zinc/94/64/07/851946407.db2.gz BJJZNAFFZHAANV-UHFFFAOYSA-N -1 3 390.505 3.577 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2ccc(O)cc2[O-])ccc1OCc1ccncc1 ZINC000436481664 851951166 /nfs/dbraw/zinc/95/11/66/851951166.db2.gz ARLCVDGGKFLOSQ-AWEZNQCLSA-N -1 3 394.427 3.571 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436485116 851979507 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O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccccc1I ZINC000436544459 852058131 /nfs/dbraw/zinc/05/81/31/852058131.db2.gz JQZXHWPLQXHRBY-OAHLLOKOSA-N -1 3 393.224 3.974 20 0 GHADHM CN1C(=O)COc2ccc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])cc21 ZINC000436573096 852077363 /nfs/dbraw/zinc/07/73/63/852077363.db2.gz GWLSYDGHBOLPPC-UHFFFAOYSA-N -1 3 388.423 3.591 20 0 GHADHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436583936 852091825 /nfs/dbraw/zinc/09/18/25/852091825.db2.gz IAXKBTANLJEBTG-CUMRGQLISA-N -1 3 385.529 3.793 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc1[O-] ZINC000436612590 852112551 /nfs/dbraw/zinc/11/25/51/852112551.db2.gz YBTHDTFVITWWQE-LLVKDONJSA-N -1 3 381.350 3.811 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c([O-])c1 ZINC000436615341 852116668 /nfs/dbraw/zinc/11/66/68/852116668.db2.gz ADUBZAMMGKRDMX-NHYWBVRUSA-N -1 3 379.503 3.614 20 0 GHADHM O=C(Nc1cccc(-c2nccs2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619456 852133614 /nfs/dbraw/zinc/13/36/14/852133614.db2.gz WQIAGTQFVRLVOU-QGZVFWFLSA-N -1 3 393.468 3.759 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([O-])c1C ZINC000436650990 852139423 /nfs/dbraw/zinc/13/94/23/852139423.db2.gz UCGNIUHHXPSGRT-UHFFFAOYSA-N -1 3 383.473 3.708 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000436656265 852147848 /nfs/dbraw/zinc/14/78/48/852147848.db2.gz MDIDNAOREDLJCY-QHCPKHFHSA-N -1 3 383.488 3.737 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)NCc3ccc([O-])c(F)c3)c2C(F)(F)F)cc1 ZINC000132913554 862326448 /nfs/dbraw/zinc/32/64/48/862326448.db2.gz SQTGWHKGCROMAN-UHFFFAOYSA-N -1 3 393.340 3.974 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(OC)c([O-])c(OC)c2)C12CCCCC2 ZINC000436662686 852159722 /nfs/dbraw/zinc/15/97/22/852159722.db2.gz JNGLVCHFCZFEHK-QZTJIDSGSA-N -1 3 377.481 3.609 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Br)c2C)c([O-])c1 ZINC000436676559 852183215 /nfs/dbraw/zinc/18/32/15/852183215.db2.gz QVOKHUOKQAKPSI-UHFFFAOYSA-N -1 3 391.265 3.530 20 0 GHADHM CCCOc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000436688226 852198885 /nfs/dbraw/zinc/19/88/85/852198885.db2.gz JZGCXNUNPWMJME-UHFFFAOYSA-N -1 3 381.432 3.512 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H]3COC(C)(C)C3)nc(=O)c2c1C ZINC000600571054 862331267 /nfs/dbraw/zinc/33/12/67/862331267.db2.gz CIMFAMRARZLQDQ-WDEREUQCSA-N -1 3 396.534 3.831 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(OC(F)F)cc1C ZINC000436693628 852207228 /nfs/dbraw/zinc/20/72/28/852207228.db2.gz CAWDJHYYYWCQOD-UHFFFAOYSA-N -1 3 390.430 3.568 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436697030 852210030 /nfs/dbraw/zinc/21/00/30/852210030.db2.gz LJRXIXHPJZBLAL-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000894787638 852213168 /nfs/dbraw/zinc/21/31/68/852213168.db2.gz HPTRGDBWRVPLNI-HNNXBMFYSA-N -1 3 383.311 3.605 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000436700667 852216893 /nfs/dbraw/zinc/21/68/93/852216893.db2.gz WWBYFPVFXSZFIJ-QGZVFWFLSA-N -1 3 385.439 3.691 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)C1)C(F)(F)F ZINC000894795761 852217843 /nfs/dbraw/zinc/21/78/43/852217843.db2.gz VQYXFFIQIBIVRR-SNVBAGLBSA-N -1 3 391.846 3.840 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Br)cc2F)c1 ZINC000436715743 852238146 /nfs/dbraw/zinc/23/81/46/852238146.db2.gz QKHPZCPZSDUOET-SECBINFHSA-N -1 3 395.228 3.743 20 0 GHADHM COc1ccc(C[C@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc2)cc1OC ZINC000436742226 852262257 /nfs/dbraw/zinc/26/22/57/852262257.db2.gz VXFGISDUNIGHFC-IBGZPJMESA-N -1 3 393.439 3.829 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2cc(F)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436733254 852274631 /nfs/dbraw/zinc/27/46/31/852274631.db2.gz VCSSPLYLFPDLFR-KPZWWZAWSA-N -1 3 380.822 3.747 20 0 GHADHM CCc1ccc(C(C)(C)C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436747083 852285442 /nfs/dbraw/zinc/28/54/42/852285442.db2.gz KDDJUULQPHHNOV-UHFFFAOYSA-N -1 3 394.515 3.653 20 0 GHADHM Cc1cc(Cl)ccc1O[C@H](C(=O)NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000516212328 852296849 /nfs/dbraw/zinc/29/68/49/852296849.db2.gz ZBXUXBHJMUECLK-IBGZPJMESA-N -1 3 397.862 3.889 20 0 GHADHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])c(I)c1 ZINC000436788714 852343188 /nfs/dbraw/zinc/34/31/88/852343188.db2.gz ATIBYKXKVZNTEY-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CN(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)ccn1 ZINC000673969023 862348508 /nfs/dbraw/zinc/34/85/08/862348508.db2.gz BHXQDPBGDZWISA-UHFFFAOYSA-N -1 3 380.473 3.593 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000436804183 852362253 /nfs/dbraw/zinc/36/22/53/852362253.db2.gz AXKDDNDGLJBQKT-UHFFFAOYSA-N -1 3 397.475 3.655 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000436812929 852372605 /nfs/dbraw/zinc/37/26/05/852372605.db2.gz YOHHDYHKCKHOMX-HNNXBMFYSA-N -1 3 375.266 3.871 20 0 GHADHM C/C(=C/c1ccccc1)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820004 852388175 /nfs/dbraw/zinc/38/81/75/852388175.db2.gz PGCIGUZXCIBEQR-HQSFBDMMSA-N -1 3 378.472 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000436821342 852391042 /nfs/dbraw/zinc/39/10/42/852391042.db2.gz OXBPTHWTIPTODA-ZDUSSCGKSA-N -1 3 394.402 3.980 20 0 GHADHM CCc1ccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)c([O-])c1 ZINC000436826546 852397323 /nfs/dbraw/zinc/39/73/23/852397323.db2.gz AMDIMERIGAKYCY-UHFFFAOYSA-N -1 3 391.427 3.754 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c([O-])c1 ZINC000436838892 852403990 /nfs/dbraw/zinc/40/39/90/852403990.db2.gz RYVDGEGWEBTXDK-UHFFFAOYSA-N -1 3 390.505 3.592 20 0 GHADHM CCc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)cc1 ZINC000436850985 852417215 /nfs/dbraw/zinc/41/72/15/852417215.db2.gz KAFPVPHUYSNIDU-TZIWHRDSSA-N -1 3 392.499 3.575 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1OCc1cccs1 ZINC000426811222 852420647 /nfs/dbraw/zinc/42/06/47/852420647.db2.gz SEVBVJPGDNLCIL-HXUWFJFHSA-N -1 3 399.468 3.957 20 0 GHADHM COc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1[O-] ZINC000436863767 852427748 /nfs/dbraw/zinc/42/77/48/852427748.db2.gz LMVPLYMWZKHMHC-UHFFFAOYSA-N -1 3 376.384 3.979 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccccc1 ZINC000506242007 852434675 /nfs/dbraw/zinc/43/46/75/852434675.db2.gz ZCUROMGWIHUFBI-NSHDSACASA-N -1 3 377.359 3.590 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cs2)c(C)c1 ZINC000517814874 852458596 /nfs/dbraw/zinc/45/85/96/852458596.db2.gz LIYBCFLNKUCXQF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cs2)c(C)c1 ZINC000517814874 852458601 /nfs/dbraw/zinc/45/86/01/852458601.db2.gz LIYBCFLNKUCXQF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CCC[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436947139 852529176 /nfs/dbraw/zinc/52/91/76/852529176.db2.gz UAZMTTCEDKXYKW-IBGZPJMESA-N -1 3 380.488 3.697 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(C(F)(F)F)ccc2F)c([O-])c1 ZINC000436960592 852532816 /nfs/dbraw/zinc/53/28/16/852532816.db2.gz KKKACSCYCMUQBS-UHFFFAOYSA-N -1 3 384.329 3.617 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(Br)c(F)c3)no2)c1 ZINC000436952366 852540773 /nfs/dbraw/zinc/54/07/73/852540773.db2.gz XAMMXCOLCSRXKG-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CCCCCNC(=O)C1CCN(C(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC000436970590 852552854 /nfs/dbraw/zinc/55/28/54/852552854.db2.gz GDPKHMUQOHTPKP-UHFFFAOYSA-N -1 3 390.524 3.730 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2CC)c([O-])c1 ZINC000436972219 852553859 /nfs/dbraw/zinc/55/38/59/852553859.db2.gz NRAIKUJPKUYJNF-UHFFFAOYSA-N -1 3 384.476 3.844 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)c2ccccc12 ZINC000436973296 852555848 /nfs/dbraw/zinc/55/58/48/852555848.db2.gz SSDORRLIHRSRSS-UHFFFAOYSA-N -1 3 392.430 3.719 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C(F)(F)F)c2C)c([O-])c1 ZINC000436975350 852559634 /nfs/dbraw/zinc/55/96/34/852559634.db2.gz JRKCEUMKTDTMBM-UHFFFAOYSA-N -1 3 380.366 3.786 20 0 GHADHM Cc1ccc(-c2ccc(C)c(NC(=O)NCCNC(=O)c3ccc([O-])cc3)c2)o1 ZINC000436975820 852562084 /nfs/dbraw/zinc/56/20/84/852562084.db2.gz NHGDJVNJCUBTPR-UHFFFAOYSA-N -1 3 393.443 3.821 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436977535 852565136 /nfs/dbraw/zinc/56/51/36/852565136.db2.gz DSZDQQSYBZOICG-GOSISDBHSA-N -1 3 394.515 3.994 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000436986973 852575461 /nfs/dbraw/zinc/57/54/61/852575461.db2.gz KVWWMVYYXYQJGG-OAHLLOKOSA-N -1 3 379.522 3.746 20 0 GHADHM CCC1(CNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)CCC1 ZINC000436988319 852576576 /nfs/dbraw/zinc/57/65/76/852576576.db2.gz LOPJFVVGAVIYIE-UHFFFAOYSA-N -1 3 387.505 3.648 20 0 GHADHM COC(=O)[C@H](C)N(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCC1 ZINC000436998362 852590479 /nfs/dbraw/zinc/59/04/79/852590479.db2.gz BLVSVESXJXKAKM-INIZCTEOSA-N -1 3 381.472 3.734 20 0 GHADHM Cc1nc([C@@](C)(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C2CC2)no1 ZINC000436986030 852595109 /nfs/dbraw/zinc/59/51/09/852595109.db2.gz FDKOKLOPGZXOKG-QFIPXVFZSA-N -1 3 377.444 3.730 20 0 GHADHM O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000427052055 852656201 /nfs/dbraw/zinc/65/62/01/852656201.db2.gz FBIBCAGCRXFPNS-UHFFFAOYSA-N -1 3 378.350 3.719 20 0 GHADHM C/C=C/c1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000489954282 852669014 /nfs/dbraw/zinc/66/90/14/852669014.db2.gz KKBWRPBPJCBVGS-SNAWJCMRSA-N -1 3 388.489 3.887 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000516564547 852728494 /nfs/dbraw/zinc/72/84/94/852728494.db2.gz PMWWICPATASIRA-CQSZACIVSA-N -1 3 396.318 3.824 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000427114728 852730278 /nfs/dbraw/zinc/73/02/78/852730278.db2.gz OGJQHJWNZMZIQD-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000427138189 852778640 /nfs/dbraw/zinc/77/86/40/852778640.db2.gz VSJIHIJPECKZQH-VIFPVBQESA-N -1 3 390.852 3.517 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1F ZINC000031906331 852803363 /nfs/dbraw/zinc/80/33/63/852803363.db2.gz IGFDMONZINGBHY-UHFFFAOYSA-N -1 3 392.496 3.563 20 0 GHADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1c[n-]c2ccccc2c1=O ZINC000180897699 862395314 /nfs/dbraw/zinc/39/53/14/862395314.db2.gz ICULXXGXRTUJFQ-UHFFFAOYSA-N -1 3 391.254 3.782 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1N1CCCC1 ZINC000556014812 862395965 /nfs/dbraw/zinc/39/59/65/862395965.db2.gz RSBDGOVWNAEHSQ-UHFFFAOYSA-N -1 3 398.488 3.684 20 0 GHADHM CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000427187105 852824687 /nfs/dbraw/zinc/82/46/87/852824687.db2.gz VRQUBDKXMULTEX-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507536740 852999198 /nfs/dbraw/zinc/99/91/98/852999198.db2.gz RDMXJTBIUOBRBB-UHFFFAOYSA-N -1 3 381.810 3.570 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCc4cc(F)ccc4C3)cc2)cc(=O)[n-]1 ZINC000507614017 853109462 /nfs/dbraw/zinc/10/94/62/853109462.db2.gz ATGSXKWKMHXNPR-UHFFFAOYSA-N -1 3 378.407 3.887 20 0 GHADHM COc1cccc2c1CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C2 ZINC000913169682 853118070 /nfs/dbraw/zinc/11/80/70/853118070.db2.gz BWMBGWWOKGOIAD-UHFFFAOYSA-N -1 3 375.450 3.655 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(F)(F)F)c(F)c3)nc21 ZINC000438960100 853134663 /nfs/dbraw/zinc/13/46/63/853134663.db2.gz ZXGBTIJUIFSMEX-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM O=c1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)nc(-c2ccccc2)[n-]1 ZINC000516912586 853148773 /nfs/dbraw/zinc/14/87/73/853148773.db2.gz PIXUGIYDYNQNSN-UHFFFAOYSA-N -1 3 393.462 3.558 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298950 853209653 /nfs/dbraw/zinc/20/96/53/853209653.db2.gz USPQEGMHDJJRAN-ZDUSSCGKSA-N -1 3 395.415 3.837 20 0 GHADHM CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298950 853209660 /nfs/dbraw/zinc/20/96/60/853209660.db2.gz USPQEGMHDJJRAN-ZDUSSCGKSA-N -1 3 395.415 3.837 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490786024 853261111 /nfs/dbraw/zinc/26/11/11/853261111.db2.gz WDXHMVHCDBAAGY-GDBMZVCRSA-N -1 3 393.369 3.590 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1Cl ZINC000481870381 862450639 /nfs/dbraw/zinc/45/06/39/862450639.db2.gz FTGMVTSOYHUSBE-UHFFFAOYSA-N -1 3 380.897 3.527 20 0 GHADHM CC(C)[C@]1(C(=O)[O-])CCN([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000519707793 853417549 /nfs/dbraw/zinc/41/75/49/853417549.db2.gz NODFKVOFCIBCGS-YJYMSZOUSA-N -1 3 377.872 3.808 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1F ZINC000044539250 853490125 /nfs/dbraw/zinc/49/01/25/853490125.db2.gz YNZJOYWCCVIEHB-MRXNPFEDSA-N -1 3 396.509 3.551 20 0 GHADHM CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc([O-])ccc3Cl)c2)ccn1 ZINC000517253553 853572666 /nfs/dbraw/zinc/57/26/66/853572666.db2.gz GZIXSEHSVHTWPY-UHFFFAOYSA-N -1 3 397.818 3.845 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1Cl ZINC000586870794 853587778 /nfs/dbraw/zinc/58/77/78/853587778.db2.gz NQQIKQZOVRKVCD-UHFFFAOYSA-N -1 3 388.782 3.668 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3c3ccccn3)cc2)cc(=O)[n-]1 ZINC000519946020 853639397 /nfs/dbraw/zinc/63/93/97/853639397.db2.gz MPGOZLKRBFDUTH-IBGZPJMESA-N -1 3 375.432 3.922 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1Cl ZINC000440828826 853660700 /nfs/dbraw/zinc/66/07/00/853660700.db2.gz CIXRSWDTUNXFTG-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=S(=O)([N-]c1ccccc1Br)c1cnc(-c2ccccc2)nc1 ZINC000188234979 853870091 /nfs/dbraw/zinc/87/00/91/853870091.db2.gz WKTTZKAZXFLFNE-UHFFFAOYSA-N -1 3 390.262 3.707 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000416500936 853872595 /nfs/dbraw/zinc/87/25/95/853872595.db2.gz FZTAMMLJOWNQEW-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])c1ccc2c(c1)OCO2 ZINC000571739699 854035437 /nfs/dbraw/zinc/03/54/37/854035437.db2.gz PZDDUUODQSBNDP-UHFFFAOYSA-N -1 3 378.222 3.800 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc5c(cc4[O-])OCO5)CC3)c2c1 ZINC000055681706 854053613 /nfs/dbraw/zinc/05/36/13/854053613.db2.gz GZXNPPOBDNHHNL-UHFFFAOYSA-N -1 3 394.427 3.631 20 0 GHADHM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000588077514 854097852 /nfs/dbraw/zinc/09/78/52/854097852.db2.gz OGXBOFIKWGJYTE-UHFFFAOYSA-N -1 3 389.395 3.965 20 0 GHADHM CCc1nc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cs1 ZINC000588182138 854203152 /nfs/dbraw/zinc/20/31/52/854203152.db2.gz ZEYHGXPNFMGYGW-UHFFFAOYSA-N -1 3 383.477 3.541 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3cccc(OC4CCCCC4)c3)cc2n(C)c1=O ZINC000571937702 854235463 /nfs/dbraw/zinc/23/54/63/854235463.db2.gz RFJAEBKSRAQOMG-UHFFFAOYSA-N -1 3 395.459 3.546 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC000473938475 854345075 /nfs/dbraw/zinc/34/50/75/854345075.db2.gz GDCFVIFHCLOCPQ-UHFFFAOYSA-N -1 3 379.439 3.770 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC000473938475 854345085 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CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCc3ccc(OC)cc3)nc2)n1 ZINC000068693200 854611403 /nfs/dbraw/zinc/61/14/03/854611403.db2.gz DDMBYQFOHLJPTB-HNNXBMFYSA-N -1 3 378.476 3.836 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cn(-c2ccccc2Cl)nn1 ZINC000058612558 862588125 /nfs/dbraw/zinc/58/81/25/862588125.db2.gz JAOJGHWULNUPFR-UHFFFAOYSA-N -1 3 396.863 3.615 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000330428556 854669879 /nfs/dbraw/zinc/66/98/79/854669879.db2.gz URRBSHOEWQRYFC-GWCFXTLKSA-N -1 3 396.734 3.584 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000069604144 854680302 /nfs/dbraw/zinc/68/03/02/854680302.db2.gz VJUSWLKKSYGRHY-LLVKDONJSA-N -1 3 397.324 3.775 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc2[nH]c(=O)oc2c1 ZINC000589165802 854709907 /nfs/dbraw/zinc/70/99/07/854709907.db2.gz CLVHLPRILPOFIN-UHFFFAOYSA-N -1 3 389.198 3.905 20 0 GHADHM O=c1[n-]nc(SCc2csc(C3CCCCC3)n2)n1C[C@H]1CCCO1 ZINC000125404982 854722680 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CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(OC(F)F)cc3)nc2)n1 ZINC000189397245 855098489 /nfs/dbraw/zinc/09/84/89/855098489.db2.gz DFQKNILWYIEKJS-UHFFFAOYSA-N -1 3 386.402 3.632 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000589689233 855107789 /nfs/dbraw/zinc/10/77/89/855107789.db2.gz QTLHOOJBGHMPNQ-HXUWFJFHSA-N -1 3 380.488 3.783 20 0 GHADHM CSc1nc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n[n-]1 ZINC000589691355 855109557 /nfs/dbraw/zinc/10/95/57/855109557.db2.gz DBCMYEUWCQXVIL-UHFFFAOYSA-N -1 3 399.423 3.850 20 0 GHADHM CC(C)(CNC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000589694119 855110679 /nfs/dbraw/zinc/11/06/79/855110679.db2.gz NXYJVQLEDDHSLZ-UHFFFAOYSA-N -1 3 395.286 3.523 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000131596399 855151172 /nfs/dbraw/zinc/15/11/72/855151172.db2.gz OTHYRAHVPLHZKF-HNAYVOBHSA-N -1 3 387.443 3.742 20 0 GHADHM CO[C@H]1CC[C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000665056121 855169207 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CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(F)cc1F ZINC000190106987 855281062 /nfs/dbraw/zinc/28/10/62/855281062.db2.gz BHNLKOZFELTSBQ-ZDUSSCGKSA-N -1 3 389.445 3.551 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000536393281 855337415 /nfs/dbraw/zinc/33/74/15/855337415.db2.gz UAFHVVSWEHHTOI-UHFFFAOYSA-N -1 3 394.866 3.818 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000536393281 855337426 /nfs/dbraw/zinc/33/74/26/855337426.db2.gz UAFHVVSWEHHTOI-UHFFFAOYSA-N -1 3 394.866 3.818 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1OC ZINC000055563950 855345912 /nfs/dbraw/zinc/34/59/12/855345912.db2.gz AIAVMBCIFLUVQO-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055567530 855348488 /nfs/dbraw/zinc/34/84/88/855348488.db2.gz NBAHTHNBYKOIRS-UHFFFAOYSA-N -1 3 390.505 3.595 20 0 GHADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000590838597 855605046 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CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)cc1Cl ZINC000591390171 855943254 /nfs/dbraw/zinc/94/32/54/855943254.db2.gz HUIFOBDTVVAINS-CHWSQXEVSA-N -1 3 390.908 3.931 20 0 GHADHM O=C(OCc1ccccc1)c1ccc(-c2nc(Cn3cnc4ccccc43)no2)[n-]1 ZINC000904736241 855976079 /nfs/dbraw/zinc/97/60/79/855976079.db2.gz KIPCQPPIFWSILN-UHFFFAOYSA-N -1 3 399.410 3.820 20 0 GHADHM CCc1sc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)nc1-c1ccccc1 ZINC000591439716 855988577 /nfs/dbraw/zinc/98/85/77/855988577.db2.gz OGHISLJSIXFWMP-UHFFFAOYSA-N -1 3 377.425 3.508 20 0 GHADHM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591451370 855995625 /nfs/dbraw/zinc/99/56/25/855995625.db2.gz WOCZYYLWYJSLPB-UHFFFAOYSA-N -1 3 378.428 3.782 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1ccc(F)cc1C(F)(F)F ZINC000190726844 856002434 /nfs/dbraw/zinc/00/24/34/856002434.db2.gz CVIYQRYVGOXHOX-ZDUSSCGKSA-N -1 3 393.333 3.786 20 0 GHADHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1NC(=O)c1ccccc1 ZINC000029261072 856032701 /nfs/dbraw/zinc/03/27/01/856032701.db2.gz JGSUFZNWWMDSAM-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1NC(=O)c1ccccc1 ZINC000029261072 856032710 /nfs/dbraw/zinc/03/27/10/856032710.db2.gz JGSUFZNWWMDSAM-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000573271113 856036566 /nfs/dbraw/zinc/03/65/66/856036566.db2.gz YEVILAZPYSSLNP-UHFFFAOYSA-N -1 3 392.858 3.777 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC[C@H](F)C1 ZINC000573326238 856080728 /nfs/dbraw/zinc/08/07/28/856080728.db2.gz BCUJFFNATNIFKW-BJLQDIEVSA-N -1 3 384.451 3.650 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cccc2c1OCO2 ZINC000509221387 856094526 /nfs/dbraw/zinc/09/45/26/856094526.db2.gz ZYWNTIIOPLIDDJ-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM CCOc1ncc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1Cl ZINC000485092870 856099865 /nfs/dbraw/zinc/09/98/65/856099865.db2.gz IQZCGHVORTYVLT-UHFFFAOYSA-N -1 3 383.795 3.917 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccccn3)s2)c(F)cc1F ZINC000171407079 856125391 /nfs/dbraw/zinc/12/53/91/856125391.db2.gz DSBVRCSDJZESKK-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM COc1cccc2[nH]cc(CC(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c21 ZINC000485124180 856137514 /nfs/dbraw/zinc/13/75/14/856137514.db2.gz QKHORJZDJXRYNI-UHFFFAOYSA-N -1 3 387.399 3.889 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c(C)c1C ZINC000031776512 856190028 /nfs/dbraw/zinc/19/00/28/856190028.db2.gz TTWVKZJDJHCLAA-UHFFFAOYSA-N -1 3 384.505 3.669 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c1F ZINC000542863831 856204610 /nfs/dbraw/zinc/20/46/10/856204610.db2.gz ZHJRYGKDEZNOHK-NSHDSACASA-N -1 3 383.395 3.918 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nnn1-c1ccccc1 ZINC000484763555 862785578 /nfs/dbraw/zinc/78/55/78/862785578.db2.gz RCLULHDVCCXUJB-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000760893606 856293338 /nfs/dbraw/zinc/29/33/38/856293338.db2.gz KZRPNIUUEKZYMH-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656098293 856332110 /nfs/dbraw/zinc/33/21/10/856332110.db2.gz IIMVYMIABWECMF-LEWSCRJBSA-N -1 3 397.306 3.799 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C2)C1 ZINC000482189419 862787770 /nfs/dbraw/zinc/78/77/70/862787770.db2.gz XFYBUQRVTOACPF-YVEFUNNKSA-N -1 3 377.286 3.563 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1CC(F)(F)F)c1cnccc1C(F)(F)F ZINC000625664869 862791795 /nfs/dbraw/zinc/79/17/95/862791795.db2.gz NDTJRKDUQAUKFP-UHFFFAOYSA-N -1 3 398.328 3.684 20 0 GHADHM CN(C)C(=O)COc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000485376542 856423041 /nfs/dbraw/zinc/42/30/41/856423041.db2.gz UXVJREHPSBPNEI-UHFFFAOYSA-N -1 3 392.242 3.776 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000485391545 856433011 /nfs/dbraw/zinc/43/30/11/856433011.db2.gz QVPUOHVHSORPME-QGZVFWFLSA-N -1 3 378.469 3.629 20 0 GHADHM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000485395345 856457552 /nfs/dbraw/zinc/45/75/52/856457552.db2.gz NCWVKUYSZDEQPF-UHFFFAOYSA-N -1 3 397.493 3.899 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000281012499 862802095 /nfs/dbraw/zinc/80/20/95/862802095.db2.gz MUPHJKFQVCBXQN-LLVKDONJSA-N -1 3 391.821 3.501 20 0 GHADHM O=S(=O)([N-]C[C@@H](OC1CCCC1)C(F)(F)F)c1cscc1C(F)F ZINC001212438499 856491185 /nfs/dbraw/zinc/49/11/85/856491185.db2.gz WTJHMMIHNQNMTQ-LLVKDONJSA-N -1 3 393.399 3.854 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3c(c2)OC(F)(F)O3)sc1Cl ZINC001212352621 856496659 /nfs/dbraw/zinc/49/66/59/856496659.db2.gz JKHXDGFXMGDMRJ-UHFFFAOYSA-N -1 3 395.836 3.552 20 0 GHADHM COc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(SC)cc1OC ZINC000905751382 856508119 /nfs/dbraw/zinc/50/81/19/856508119.db2.gz WQYGZSKCXAOKJK-LLVKDONJSA-N -1 3 394.518 3.570 20 0 GHADHM CC(C)(C)N1CCc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000573915213 856612821 /nfs/dbraw/zinc/61/28/21/856612821.db2.gz TUHAFBHCFLPHQX-UHFFFAOYSA-N -1 3 383.477 3.602 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(Br)ccc1F ZINC000605163999 862815806 /nfs/dbraw/zinc/81/58/06/862815806.db2.gz DCXNHOWSFFCRKV-LBPRGKRZSA-N -1 3 388.283 3.714 20 0 GHADHM O=C(C[C@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472324986 856628785 /nfs/dbraw/zinc/62/87/85/856628785.db2.gz XFTMEEUXBVTLPC-IBGZPJMESA-N -1 3 375.424 3.659 20 0 GHADHM Cc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2s1 ZINC000045037212 856687745 /nfs/dbraw/zinc/68/77/45/856687745.db2.gz PZZCDSANHNESDX-MRXNPFEDSA-N -1 3 381.457 3.554 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1 ZINC000668505940 856690672 /nfs/dbraw/zinc/69/06/72/856690672.db2.gz BTYNXTBWUCPMAY-LJQANCHMSA-N -1 3 390.549 3.757 20 0 GHADHM CN1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472432812 856711758 /nfs/dbraw/zinc/71/17/58/856711758.db2.gz MSTXBTDYKBAXKJ-PZJWPPBQSA-N -1 3 382.410 3.999 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1C ZINC000507950228 856735301 /nfs/dbraw/zinc/73/53/01/856735301.db2.gz KZPASFNVFVFDKP-UHFFFAOYSA-N -1 3 394.468 3.932 20 0 GHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(SC)c(Cl)c1)c1ccccc1 ZINC000507987363 856776400 /nfs/dbraw/zinc/77/64/00/856776400.db2.gz SMURQEFJAVAIQG-CQSZACIVSA-N -1 3 399.921 3.760 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000592448733 856873181 /nfs/dbraw/zinc/87/31/81/856873181.db2.gz CXDODGUYHHUYFU-HNNXBMFYSA-N -1 3 389.293 3.549 20 0 GHADHM Cc1cc(Br)c(CNCCSC[C@H](C)C(=O)[O-])cc1Cl ZINC000592461829 856880603 /nfs/dbraw/zinc/88/06/03/856880603.db2.gz LZQVJNWWZHWYQZ-JTQLQIEISA-N -1 3 380.735 3.954 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C3CC3)ccc2C)c(C)c1 ZINC000063092733 856887390 /nfs/dbraw/zinc/88/73/90/856887390.db2.gz QODJJBDLKUHJHB-UHFFFAOYSA-N -1 3 386.517 3.955 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cccc2ncccc21 ZINC000508094848 856905668 /nfs/dbraw/zinc/90/56/68/856905668.db2.gz JCKFMHXNRDYAKI-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CCCCc1nc(NC(=O)c2csc(-c3ccoc3)n2)c(C(=O)OCC)[n-]1 ZINC000485671896 856909576 /nfs/dbraw/zinc/90/95/76/856909576.db2.gz OGPZCCIHUPHWAM-UHFFFAOYSA-N -1 3 388.449 3.898 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c(C(=O)OCC)[n-]1 ZINC000485706024 856955477 /nfs/dbraw/zinc/95/54/77/856955477.db2.gz APDGUELXYWKAKA-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(F)c2OCC)c(C(=O)OCC)[n-]1 ZINC000485704330 856955609 /nfs/dbraw/zinc/95/56/09/856955609.db2.gz WSYCUGUDUBSDLB-UHFFFAOYSA-N -1 3 377.416 3.719 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(F)c1 ZINC000508128408 856967412 /nfs/dbraw/zinc/96/74/12/856967412.db2.gz OFBZXJNRRMTKPD-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM COc1ccccc1C1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000056167433 857022706 /nfs/dbraw/zinc/02/27/06/857022706.db2.gz IJDBZGNAFIBEIN-UHFFFAOYSA-N -1 3 376.456 3.779 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccnc(Oc3ccccc3F)c2)c1 ZINC000428031700 857042289 /nfs/dbraw/zinc/04/22/89/857042289.db2.gz LNRYRIIQRHYVBG-UHFFFAOYSA-N -1 3 395.390 3.607 20 0 GHADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C(=O)OC(C)(C)C ZINC000592815504 857099068 /nfs/dbraw/zinc/09/90/68/857099068.db2.gz BCVKSXBODYYBAN-GOEBONIOSA-N -1 3 379.472 3.680 20 0 GHADHM Cc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1F ZINC000485865650 857151706 /nfs/dbraw/zinc/15/17/06/857151706.db2.gz BHOJSANPFIWLGT-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM O=C(Nc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000672332396 857160883 /nfs/dbraw/zinc/16/08/83/857160883.db2.gz JSZXQKIMDJULGL-MRXNPFEDSA-N -1 3 393.468 3.759 20 0 GHADHM Cc1ccc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c(C)c1 ZINC000112631733 857170052 /nfs/dbraw/zinc/17/00/52/857170052.db2.gz QKHYKHYSQLVQRF-UHFFFAOYSA-N -1 3 399.288 3.880 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000592987032 857176434 /nfs/dbraw/zinc/17/64/34/857176434.db2.gz ZUEBUUVYNHIEDH-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000057301157 857185738 /nfs/dbraw/zinc/18/57/38/857185738.db2.gz GCIJMZMTFDZCIQ-KBPBESRZSA-N -1 3 378.469 3.791 20 0 GHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cn(-c4cccc(C)c4)nn3)s2)cc1 ZINC000520800968 857231801 /nfs/dbraw/zinc/23/18/01/857231801.db2.gz RGHTWKXKEVVXOL-UHFFFAOYSA-N -1 3 390.472 3.579 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(=O)[n-]1 ZINC000057806562 857236722 /nfs/dbraw/zinc/23/67/22/857236722.db2.gz WPAKHNFXBOWGLM-UHFFFAOYSA-N -1 3 385.483 3.820 20 0 GHADHM C[C@H]1CN(c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2F)C[C@H](C)O1 ZINC000058381639 857290088 /nfs/dbraw/zinc/29/00/88/857290088.db2.gz NVNDQFPJYHIJAL-KBPBESRZSA-N -1 3 395.434 3.533 20 0 GHADHM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1F ZINC000605291617 862905095 /nfs/dbraw/zinc/90/50/95/862905095.db2.gz JBLBCDXPOMSTBD-HNNXBMFYSA-N -1 3 395.452 3.856 20 0 GHADHM Cc1ccc(-c2nc(C[S@@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)cs2)o1 ZINC000593207750 857396602 /nfs/dbraw/zinc/39/66/02/857396602.db2.gz STDNPWORJDCLNU-VWLOTQADSA-N -1 3 375.475 3.533 20 0 GHADHM CN1C(=O)CCC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000907092342 857478107 /nfs/dbraw/zinc/47/81/07/857478107.db2.gz DZRGPQZBDBVGFM-HNNXBMFYSA-N -1 3 381.457 3.618 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC=C(C(F)(F)F)CC2)s1 ZINC000907137472 857491059 /nfs/dbraw/zinc/49/10/59/857491059.db2.gz ROBNDIVBWKUVIS-UHFFFAOYSA-N -1 3 377.388 3.825 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)cc1F ZINC000675609974 857532157 /nfs/dbraw/zinc/53/21/57/857532157.db2.gz ABVPMHSHYOMWTH-UHFFFAOYSA-N -1 3 390.411 3.939 20 0 GHADHM O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000442138846 857540310 /nfs/dbraw/zinc/54/03/10/857540310.db2.gz ZIDORIAXLMGDAT-UHFFFAOYSA-N -1 3 390.361 3.537 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3c(F)cc(F)cc3F)c(C)s2)no1 ZINC000486232440 857572913 /nfs/dbraw/zinc/57/29/13/857572913.db2.gz WUOUUDIYNHAKLL-UHFFFAOYSA-N -1 3 397.334 3.563 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1 ZINC000063150437 857592666 /nfs/dbraw/zinc/59/26/66/857592666.db2.gz DTAZOSOJSCYJSJ-UHFFFAOYSA-N -1 3 377.466 3.547 20 0 GHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccc(Br)cc1 ZINC000465991283 857600673 /nfs/dbraw/zinc/60/06/73/857600673.db2.gz ZNAGDKMMXVYBOF-LLVKDONJSA-N -1 3 397.244 3.561 20 0 GHADHM O=C(O[C@H]1C=CCCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000733417757 862930470 /nfs/dbraw/zinc/93/04/70/862930470.db2.gz AVBUUTVEYFEDRM-NSHDSACASA-N -1 3 390.288 3.700 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000675819985 857624147 /nfs/dbraw/zinc/62/41/47/857624147.db2.gz VKGQINREQKSPRG-INIZCTEOSA-N -1 3 375.266 3.950 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000063766594 857655396 /nfs/dbraw/zinc/65/53/96/857655396.db2.gz ZUGBHHURUHZGIE-UHFFFAOYSA-N -1 3 378.252 3.880 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911796 857671695 /nfs/dbraw/zinc/67/16/95/857671695.db2.gz PQOUQXQGRSTJIR-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCC(C)(C)O3)cc2)cc1 ZINC000486383848 857697519 /nfs/dbraw/zinc/69/75/19/857697519.db2.gz YXCNORWXDXROJL-SFHVURJKSA-N -1 3 388.489 3.692 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)c(C)c1Cl ZINC000070731159 857734698 /nfs/dbraw/zinc/73/46/98/857734698.db2.gz DNAXBPFYCDXXIN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)c(C)c1Cl ZINC000070731159 857734702 /nfs/dbraw/zinc/73/47/02/857734702.db2.gz DNAXBPFYCDXXIN-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(=O)c5ccccc5[n-]4)CC3)c2c1 ZINC000064882908 857751852 /nfs/dbraw/zinc/75/18/52/857751852.db2.gz ZKCPRIADLVEWKF-UHFFFAOYSA-N -1 3 399.450 3.948 20 0 GHADHM CCOC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])n(Cc2ccccc2F)n1 ZINC001212481964 857799324 /nfs/dbraw/zinc/79/93/24/857799324.db2.gz SYVTZHWJEKMQOJ-UHFFFAOYSA-N -1 3 391.349 3.975 20 0 GHADHM CCOC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001212481872 857799687 /nfs/dbraw/zinc/79/96/87/857799687.db2.gz OCQYSLUKXUJTMQ-UHFFFAOYSA-N -1 3 377.322 3.916 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccc2c(c1)COC2 ZINC000486556081 857855334 /nfs/dbraw/zinc/85/53/34/857855334.db2.gz CQZPWNQYEKALAW-UHFFFAOYSA-N -1 3 390.205 3.558 20 0 GHADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000676416337 857872695 /nfs/dbraw/zinc/87/26/95/857872695.db2.gz LKQPKZQHKJEWNP-HOTGVXAUSA-N -1 3 384.270 3.597 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(Br)c1F)c1ccc(F)c(F)c1 ZINC000486577365 857879341 /nfs/dbraw/zinc/87/93/41/857879341.db2.gz SJJSDVDSTBGVFI-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001271257540 862964144 /nfs/dbraw/zinc/96/41/44/862964144.db2.gz ZGCGVZYFYCQGEO-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000486636789 857928319 /nfs/dbraw/zinc/92/83/19/857928319.db2.gz GQALJYGPZJUQOS-DTWKUNHWSA-N -1 3 377.297 3.665 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2s1 ZINC000442782740 858122168 /nfs/dbraw/zinc/12/21/68/858122168.db2.gz RWUGTQVCPODAGM-NSHDSACASA-N -1 3 393.461 3.867 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1OCC(F)F ZINC000521569884 858124877 /nfs/dbraw/zinc/12/48/77/858124877.db2.gz JGAYQGGNUCBNPI-GFCCVEGCSA-N -1 3 383.416 3.763 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1c(F)cccc1Cl ZINC000442768690 858128186 /nfs/dbraw/zinc/12/81/86/858128186.db2.gz LRRHWJZQZOTNRU-QMMMGPOBSA-N -1 3 382.766 3.932 20 0 GHADHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442769235 858129185 /nfs/dbraw/zinc/12/91/85/858129185.db2.gz VFDRSNIUHLYTSW-GFCCVEGCSA-N -1 3 390.452 3.868 20 0 GHADHM CCC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000521573244 858134705 /nfs/dbraw/zinc/13/47/05/858134705.db2.gz CKSNVUHCMGXHQF-HNNXBMFYSA-N -1 3 378.469 3.935 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccncc1 ZINC000674088600 862994967 /nfs/dbraw/zinc/99/49/67/862994967.db2.gz UFGJXJRDMNXHGF-SNVBAGLBSA-N -1 3 378.803 3.836 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC12CCC2 ZINC000521653107 858207028 /nfs/dbraw/zinc/20/70/28/858207028.db2.gz IATBZBSRFUQJDN-KRWDZBQOSA-N -1 3 389.293 3.941 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[n-]n1 ZINC000181751979 862998519 /nfs/dbraw/zinc/99/85/19/862998519.db2.gz BFXZLVBWRZHFMC-OLZOCXBDSA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n[n-]1 ZINC000181751979 862998521 /nfs/dbraw/zinc/99/85/21/862998521.db2.gz BFXZLVBWRZHFMC-OLZOCXBDSA-N -1 3 396.472 3.885 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC)c(F)cc2F)c1 ZINC000594695880 858271194 /nfs/dbraw/zinc/27/11/94/858271194.db2.gz KPNLTVAAWWCEPI-NSHDSACASA-N -1 3 399.415 3.730 20 0 GHADHM O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc2n[n-]nc21 ZINC000682153674 858302277 /nfs/dbraw/zinc/30/22/77/858302277.db2.gz PESCLJQPDCXOFD-BRPSZJMVSA-N -1 3 380.292 3.597 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000443160145 858414311 /nfs/dbraw/zinc/41/43/11/858414311.db2.gz WZCZHJDWQRWHMF-UHFFFAOYSA-N -1 3 399.438 3.805 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)cc1OC ZINC000443162551 858415972 /nfs/dbraw/zinc/41/59/72/858415972.db2.gz RCLVHNIGARHLMF-ZIAGYGMSSA-N -1 3 383.514 3.547 20 0 GHADHM O=C([N-]OCc1ccccc1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000046764935 858481614 /nfs/dbraw/zinc/48/16/14/858481614.db2.gz NJCMMKDDJKNRQU-HNNXBMFYSA-N -1 3 379.382 3.565 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(F)cc2n[n-]nc21 ZINC000575116135 858569776 /nfs/dbraw/zinc/56/97/76/858569776.db2.gz PQXRWNPDJGDNDE-GFCCVEGCSA-N -1 3 390.802 3.561 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000443352699 858593015 /nfs/dbraw/zinc/59/30/15/858593015.db2.gz RHAIAAISWMRPQG-OAHLLOKOSA-N -1 3 381.906 3.875 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)nc3)cc21 ZINC000191229929 858669375 /nfs/dbraw/zinc/66/93/75/858669375.db2.gz UAISFODKEKYIIS-UHFFFAOYSA-N -1 3 390.770 3.684 20 0 GHADHM C[C@H](c1ccncc1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522152992 858673275 /nfs/dbraw/zinc/67/32/75/858673275.db2.gz GVMVCXJREZJIET-LLVKDONJSA-N -1 3 386.249 3.519 20 0 GHADHM CCn1nc(C)c([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1C ZINC000172904158 858729665 /nfs/dbraw/zinc/72/96/65/858729665.db2.gz XCNSANPAFKHGES-MDZDMXLPSA-N -1 3 384.299 3.695 20 0 GHADHM O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000183456852 858749811 /nfs/dbraw/zinc/74/98/11/858749811.db2.gz GZDJHFLNXJWTDP-UHFFFAOYSA-N -1 3 397.866 3.926 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cn(Cc2ccccc2)nn1 ZINC000068011089 858837359 /nfs/dbraw/zinc/83/73/59/858837359.db2.gz WRXLWXWZEPUKPQ-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM CCc1cc2c(CN(Cc3ccco3)C[C@@H]3CCCO3)cc(=O)oc2cc1[O-] ZINC000060039272 858843061 /nfs/dbraw/zinc/84/30/61/858843061.db2.gz YCPFGYNWYRRGTI-SFHVURJKSA-N -1 3 383.444 3.835 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCCCC[C@H]3CC(C)C)c(=O)c2c(OC)c1 ZINC000625770589 858870539 /nfs/dbraw/zinc/87/05/39/858870539.db2.gz XYYKWMVFTBGOLW-HNNXBMFYSA-N -1 3 386.492 3.976 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000068109553 858892855 /nfs/dbraw/zinc/89/28/55/858892855.db2.gz OQRSTRJEGYAAMV-CQSZACIVSA-N -1 3 390.505 3.761 20 0 GHADHM CCC(CC)c1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000544571211 859030452 /nfs/dbraw/zinc/03/04/52/859030452.db2.gz AKHDYKMYRZGREU-UHFFFAOYSA-N -1 3 392.308 3.801 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccsc2Br)cc1F ZINC000509338267 859101899 /nfs/dbraw/zinc/10/18/99/859101899.db2.gz NRGUACNIFUZVPI-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1Cl ZINC000466338808 859154968 /nfs/dbraw/zinc/15/49/68/859154968.db2.gz XHJAELGFFNQZIH-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM [O-]c1c(Br)cc(CNC2(CF)CCOCC2)cc1Br ZINC000668210219 859168900 /nfs/dbraw/zinc/16/89/00/859168900.db2.gz WTHPPTKUVAPBGD-UHFFFAOYSA-N -1 3 397.082 3.526 20 0 GHADHM Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2c(C)cccc2[O-])c1C ZINC000625969617 859258737 /nfs/dbraw/zinc/25/87/37/859258737.db2.gz MGFOAVZQHYIRBE-SFHVURJKSA-N -1 3 396.487 3.577 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cnn1-c1ccccc1 ZINC000601552079 859344580 /nfs/dbraw/zinc/34/45/80/859344580.db2.gz PSQWHCXMSMQKRS-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923472653 859355494 /nfs/dbraw/zinc/35/54/94/859355494.db2.gz WQKVKQQXEUCHPL-IRLDBZIGSA-N -1 3 390.499 3.750 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000509433815 859435712 /nfs/dbraw/zinc/43/57/12/859435712.db2.gz RCFHGPSPHNXBFD-BBRMVZONSA-N -1 3 381.398 3.909 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000483540972 859438318 /nfs/dbraw/zinc/43/83/18/859438318.db2.gz ITQLJDLJSNDTLX-WOLCWHLNSA-N -1 3 393.413 3.991 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000483561109 859451102 /nfs/dbraw/zinc/45/11/02/859451102.db2.gz ACJQWANMRMOYPF-HNNXBMFYSA-N -1 3 395.429 3.911 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])nc1C ZINC000597373547 859502338 /nfs/dbraw/zinc/50/23/38/859502338.db2.gz JBZBRKONUIQVHJ-SNVBAGLBSA-N -1 3 380.491 3.547 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nn1 ZINC000191841829 859520040 /nfs/dbraw/zinc/52/00/40/859520040.db2.gz VTPIKQNMAMQJHD-UHFFFAOYSA-N -1 3 382.449 3.841 20 0 GHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000194642068 859529848 /nfs/dbraw/zinc/52/98/48/859529848.db2.gz UCGFFKWRKAGWEL-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000499753663 859547079 /nfs/dbraw/zinc/54/70/79/859547079.db2.gz BGROKNQERAKIAK-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000499753663 859547085 /nfs/dbraw/zinc/54/70/85/859547085.db2.gz BGROKNQERAKIAK-JTQLQIEISA-N -1 3 376.247 3.991 20 0 GHADHM CC(C)(C(=O)Nc1cc(I)ccc1[O-])c1cccs1 ZINC000611156368 859624804 /nfs/dbraw/zinc/62/48/04/859624804.db2.gz DJNXFODHTUOGCD-UHFFFAOYSA-N -1 3 387.242 3.975 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(I)ccc2[O-])cc1C ZINC000611504388 859788737 /nfs/dbraw/zinc/78/87/37/859788737.db2.gz SQOSQKYGNPJFER-SECBINFHSA-N -1 3 399.232 3.725 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)C(=O)c3ccccc3)cc2)n1 ZINC000602114892 859791240 /nfs/dbraw/zinc/79/12/40/859791240.db2.gz NTUZSWKWJUYFBX-AWEZNQCLSA-N -1 3 375.428 3.593 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000484090018 859798687 /nfs/dbraw/zinc/79/86/87/859798687.db2.gz XVEICXDUUCRTAE-UHFFFAOYSA-N -1 3 395.452 3.728 20 0 GHADHM CN(Cc1nc2ccccc2s1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484090721 859799619 /nfs/dbraw/zinc/79/96/19/859799619.db2.gz BNGPAGGTVQNQIL-UHFFFAOYSA-N -1 3 385.395 3.688 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484130977 859839057 /nfs/dbraw/zinc/83/90/57/859839057.db2.gz JGTNMCNWOJGLSJ-UHFFFAOYSA-N -1 3 382.420 3.873 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(Br)c(Cl)c1 ZINC000510502876 859855737 /nfs/dbraw/zinc/85/57/37/859855737.db2.gz QNPQPUVYBJBTDT-UHFFFAOYSA-N -1 3 392.624 3.723 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Br)cc2[O-])CCCC1 ZINC000727133020 859936421 /nfs/dbraw/zinc/93/64/21/859936421.db2.gz IATQLLOZTNWOCP-UHFFFAOYSA-N -1 3 399.285 3.931 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)cc(OC)c1[O-] ZINC000484318107 859942722 /nfs/dbraw/zinc/94/27/22/859942722.db2.gz KLLOKBMOVRUGGZ-AWEZNQCLSA-N -1 3 387.476 3.904 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1nccs1 ZINC000096743316 859955948 /nfs/dbraw/zinc/95/59/48/859955948.db2.gz OSKFBAAKMMZFQR-SNVBAGLBSA-N -1 3 395.731 3.989 20 0 GHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000194859911 859997993 /nfs/dbraw/zinc/99/79/93/859997993.db2.gz MDFKRBCHBKQEFJ-UHFFFAOYSA-N -1 3 391.406 3.990 20 0 GHADHM Cc1cnc(Cl)c(CN[C@H](Cc2ccccc2Br)C(=O)[O-])c1 ZINC000904015979 860026441 /nfs/dbraw/zinc/02/64/41/860026441.db2.gz ABXRMQFNCCQWJK-CQSZACIVSA-N -1 3 383.673 3.591 20 0 GHADHM CCOC[C@@H](NCc1cc(F)ccc1Oc1ccc(SC)cc1)C(=O)[O-] ZINC000904017892 860028314 /nfs/dbraw/zinc/02/83/14/860028314.db2.gz MKDXMCVZFOPOOV-QGZVFWFLSA-N -1 3 379.453 3.919 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cncc(Br)c2C)cc1 ZINC000904004576 860037471 /nfs/dbraw/zinc/03/74/71/860037471.db2.gz DKLGGZQHLUUMLW-QGZVFWFLSA-N -1 3 393.281 3.857 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnn(-c3ccc(OC)cc3)c2)cc1 ZINC000904005479 860038049 /nfs/dbraw/zinc/03/80/49/860038049.db2.gz LVYCVDNWVIEFMU-NRFANRHFSA-N -1 3 395.459 3.585 20 0 GHADHM CO[C@@H](CNCc1cccc(Br)c1SC(C)(C)C)C(=O)[O-] ZINC000904032557 860050705 /nfs/dbraw/zinc/05/07/05/860050705.db2.gz PPVRGHYIFJBJIS-LBPRGKRZSA-N -1 3 376.316 3.529 20 0 GHADHM COC1([C@@H](NCc2cc(Cl)c(C)cc2Br)C(=O)[O-])CCC1 ZINC000904050941 860070569 /nfs/dbraw/zinc/07/05/69/860070569.db2.gz OXHGYJWYBIEHAI-ZDUSSCGKSA-N -1 3 376.678 3.523 20 0 GHADHM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436557611 860075558 /nfs/dbraw/zinc/07/55/58/860075558.db2.gz UYOOSKUKNXCRJR-UHFFFAOYSA-N -1 3 396.424 3.616 20 0 GHADHM CCn1c(CN[C@@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)nc2ccccc21 ZINC000904062637 860084359 /nfs/dbraw/zinc/08/43/59/860084359.db2.gz PZSOFIMZRPZVDR-CYBMUJFWSA-N -1 3 391.393 3.649 20 0 GHADHM CCN(C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1)CC(F)(F)F ZINC000280309300 860087681 /nfs/dbraw/zinc/08/76/81/860087681.db2.gz HUOOVEZTVPNHBH-AWEZNQCLSA-N -1 3 380.410 3.892 20 0 GHADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000904070767 860094863 /nfs/dbraw/zinc/09/48/63/860094863.db2.gz ZNXAPECFPUPOCN-FZKQIMNGSA-N -1 3 398.290 3.599 20 0 GHADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C(=O)N1CCOCC1 ZINC000525937807 860136425 /nfs/dbraw/zinc/13/64/25/860136425.db2.gz UEKWQNTYWSNJDY-UHFFFAOYSA-N -1 3 390.439 3.579 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccc(C(C)C)cc3)nc(=O)c2c1C ZINC000016588077 860166892 /nfs/dbraw/zinc/16/68/92/860166892.db2.gz YYQDZLPLNJKFLQ-UHFFFAOYSA-N -1 3 399.516 3.835 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(O[C@@H]2CCOC2)c1 ZINC000527166467 860169539 /nfs/dbraw/zinc/16/95/39/860169539.db2.gz LEYKZHFNQJLHJO-LJQANCHMSA-N -1 3 377.440 3.952 20 0 GHADHM CSc1nnc(CCCNC(=O)c2cc([O-])c3ccccc3c2)n1CC(C)C ZINC000527156411 860169596 /nfs/dbraw/zinc/16/95/96/860169596.db2.gz JLWRMRXMVZLRPV-UHFFFAOYSA-N -1 3 398.532 3.877 20 0 GHADHM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527446995 860179353 /nfs/dbraw/zinc/17/93/53/860179353.db2.gz MNAAMNDAUPUOPQ-UHFFFAOYSA-N -1 3 378.428 3.655 20 0 GHADHM O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cc([O-])c2ccccc2c1 ZINC000527458628 860180257 /nfs/dbraw/zinc/18/02/57/860180257.db2.gz VTVVPUSIJZPDRE-UHFFFAOYSA-N -1 3 398.344 3.819 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000484639020 860190704 /nfs/dbraw/zinc/19/07/04/860190704.db2.gz BXFCKJBSYVGIBQ-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CN(c1ccccc1)C1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000484663896 860212245 /nfs/dbraw/zinc/21/22/45/860212245.db2.gz NGBKGAJUBRQJOV-UHFFFAOYSA-N -1 3 397.425 3.547 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000673576571 860227993 /nfs/dbraw/zinc/22/79/93/860227993.db2.gz PPMHPKGPNUXZIR-CYBMUJFWSA-N -1 3 389.502 3.932 20 0 GHADHM Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c([O-])c1 ZINC000021529212 860237087 /nfs/dbraw/zinc/23/70/87/860237087.db2.gz USCRVBRENLIXGM-UHFFFAOYSA-N -1 3 379.485 3.968 20 0 GHADHM CN(Cc1cccs1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736348 860244099 /nfs/dbraw/zinc/24/40/99/860244099.db2.gz ZTKINPGGIDYGDB-UHFFFAOYSA-N -1 3 377.263 3.624 20 0 GHADHM CCCCO[C@H]1C[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(C)C ZINC000904223651 860247512 /nfs/dbraw/zinc/24/75/12/860247512.db2.gz KLWYATZJOKCYCU-MSOLQXFVSA-N -1 3 378.513 3.654 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CCC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909531029 860260537 /nfs/dbraw/zinc/26/05/37/860260537.db2.gz JGTIPKSXSYYTSZ-GOSISDBHSA-N -1 3 385.464 3.676 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCOc3ccc(F)c(Cl)c3)o2)CC1 ZINC000904244445 860261520 /nfs/dbraw/zinc/26/15/20/860261520.db2.gz OQFVIBWDGNDAOL-UHFFFAOYSA-N -1 3 396.846 3.542 20 0 GHADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000727796398 860274369 /nfs/dbraw/zinc/27/43/69/860274369.db2.gz HHFJYESYIHJGEI-WMLDXEAASA-N -1 3 384.517 3.601 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000727835557 860286390 /nfs/dbraw/zinc/28/63/90/860286390.db2.gz SWMDBAFWEFKJRS-NCUBBLFSSA-N -1 3 398.488 3.727 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1-c1ccccc1 ZINC000428916162 860339404 /nfs/dbraw/zinc/33/94/04/860339404.db2.gz DZRFNSYPUFLKFC-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1-c1ccccc1 ZINC000428916162 860339431 /nfs/dbraw/zinc/33/94/31/860339431.db2.gz DZRFNSYPUFLKFC-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000484800312 860359340 /nfs/dbraw/zinc/35/93/40/860359340.db2.gz XTWIIFWNNBKCPG-ZYHUDNBSSA-N -1 3 385.835 3.996 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000024896485 860360024 /nfs/dbraw/zinc/36/00/24/860360024.db2.gz HWTMSBSARJPWRZ-UHFFFAOYSA-N -1 3 387.288 3.936 20 0 GHADHM COCCOc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1OC ZINC000024955949 860364262 /nfs/dbraw/zinc/36/42/62/860364262.db2.gz CQZIBYMUVCKPFO-UHFFFAOYSA-N -1 3 393.505 3.755 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(SC(F)F)c2)c([O-])c1 ZINC000728074939 860378576 /nfs/dbraw/zinc/37/85/76/860378576.db2.gz PYAXCEWRLUDQKU-UHFFFAOYSA-N -1 3 380.416 3.774 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728081593 860378607 /nfs/dbraw/zinc/37/86/07/860378607.db2.gz DGGWZLCVEKKXFD-KRWDZBQOSA-N -1 3 392.377 3.505 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1c(F)cccc1Br ZINC000484945354 860525208 /nfs/dbraw/zinc/52/52/08/860525208.db2.gz KCUWQPLLSWRYOO-UHFFFAOYSA-N -1 3 384.152 3.797 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc2ncccc21 ZINC000170664037 860533216 /nfs/dbraw/zinc/53/32/16/860533216.db2.gz MNIOWIIKIJYXOH-SFHVURJKSA-N -1 3 394.456 3.763 20 0 GHADHM C[C@@H]1CN(Cc2csc(NC(=O)c3cc([O-])c4ccccc4c3)n2)C[C@@H](C)O1 ZINC000471856891 860546635 /nfs/dbraw/zinc/54/66/35/860546635.db2.gz MWSDVTMRJIBGJF-ZIAGYGMSSA-N -1 3 397.500 3.863 20 0 GHADHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1ncoc1-c1ccon1 ZINC000598799176 860577257 /nfs/dbraw/zinc/57/72/57/860577257.db2.gz BEEGEPUVIKEIIJ-UHFFFAOYSA-N -1 3 375.406 3.691 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000603421943 860696630 /nfs/dbraw/zinc/69/66/30/860696630.db2.gz GZNKJQLQJVSTJE-OAHLLOKOSA-N -1 3 385.427 3.940 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000603421943 860696634 /nfs/dbraw/zinc/69/66/34/860696634.db2.gz GZNKJQLQJVSTJE-OAHLLOKOSA-N -1 3 385.427 3.940 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)[nH][n-]1 ZINC000603547091 860818213 /nfs/dbraw/zinc/81/82/13/860818213.db2.gz PGJJKRJNYHMXOK-NSHDSACASA-N -1 3 389.814 3.706 20 0 GHADHM O=C(CCc1nc2ccccc2[nH]1)[N-]OCc1ccc(F)cc1Br ZINC000186648317 860914634 /nfs/dbraw/zinc/91/46/34/860914634.db2.gz YJFQZNUNTJITFQ-UHFFFAOYSA-N -1 3 392.228 3.645 20 0 GHADHM CC(C)CCO[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628321 860989203 /nfs/dbraw/zinc/98/92/03/860989203.db2.gz JYXQZSLFTCWOMT-AWEZNQCLSA-N -1 3 396.915 3.674 20 0 GHADHM CC(C)(C(=O)NN=c1ccc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1F ZINC000185595895 861056222 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Cc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c(Br)c1 ZINC000230406070 863407655 /nfs/dbraw/zinc/40/76/55/863407655.db2.gz XWPRQXGSFDTZDW-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cccc(OCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000606462362 863634678 /nfs/dbraw/zinc/63/46/78/863634678.db2.gz FQJZFVNHFRLPPQ-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000522904580 863681727 /nfs/dbraw/zinc/68/17/27/863681727.db2.gz LFMFSUQYLKBKME-LLVKDONJSA-N -1 3 383.286 3.568 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000606536710 863695585 /nfs/dbraw/zinc/69/55/85/863695585.db2.gz SYMZDNYUPNVGMQ-UHFFFAOYSA-N -1 3 396.756 3.633 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000172517966 863710532 /nfs/dbraw/zinc/71/05/32/863710532.db2.gz SFACRRXFDLOPEQ-INIZCTEOSA-N -1 3 392.455 3.774 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(-n2cccn2)cc1 ZINC000158504769 863852857 /nfs/dbraw/zinc/85/28/57/863852857.db2.gz 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CCOc1c(Cl)cccc1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000190120522 882095003 /nfs/dbraw/zinc/09/50/03/882095003.db2.gz KLSNHCIHCKHSQT-UHFFFAOYSA-N -1 3 397.862 3.979 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000742802844 867586613 /nfs/dbraw/zinc/58/66/13/867586613.db2.gz NPQGXWDGEYYBRW-RHSMWYFYSA-N -1 3 384.517 3.553 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743049293 867784522 /nfs/dbraw/zinc/78/45/22/867784522.db2.gz NWJAJVQEESIMIY-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000523695398 867795891 /nfs/dbraw/zinc/79/58/91/867795891.db2.gz QAPLGUZBFYQJBH-CYBMUJFWSA-N -1 3 385.880 3.936 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(Br)c3)n[n-]2)o1 ZINC000479444976 867814203 /nfs/dbraw/zinc/81/42/03/867814203.db2.gz LDCCCIUMVPFRGO-SNVBAGLBSA-N -1 3 391.225 3.542 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000121473207 882127788 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Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1 ZINC000535142298 868244203 /nfs/dbraw/zinc/24/42/03/868244203.db2.gz LJTGTEPAYLZOBH-UHFFFAOYSA-N -1 3 391.880 3.583 20 0 GHADHM COc1cc(N[C@H]2CCCN(Cc3c(F)ccc([O-])c3F)C2)cc(OC)c1 ZINC000508844443 868285694 /nfs/dbraw/zinc/28/56/94/868285694.db2.gz ZWYYYXZNZRVQDV-ZDUSSCGKSA-N -1 3 378.419 3.764 20 0 GHADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000156713752 868444621 /nfs/dbraw/zinc/44/46/21/868444621.db2.gz LYOKAPBXDRTKAV-GXTWGEPZSA-N -1 3 388.316 3.826 20 0 GHADHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000524047622 868484055 /nfs/dbraw/zinc/48/40/55/868484055.db2.gz NHEQZGFQHPFWHS-ABAIWWIYSA-N -1 3 398.290 3.718 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(F)cc2N1 ZINC000156974801 868518170 /nfs/dbraw/zinc/51/81/70/868518170.db2.gz ZQADMRWKGRMDJE-UHFFFAOYSA-N -1 3 389.235 3.818 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457683415 868624527 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3.560 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000621118606 868751044 /nfs/dbraw/zinc/75/10/44/868751044.db2.gz PASBMZXCCPRLFB-UHFFFAOYSA-N -1 3 383.411 3.658 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000621118606 868751052 /nfs/dbraw/zinc/75/10/52/868751052.db2.gz PASBMZXCCPRLFB-UHFFFAOYSA-N -1 3 383.411 3.658 20 0 GHADHM Cc1cccc2sc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c(Cl)c21 ZINC000621119313 868752400 /nfs/dbraw/zinc/75/24/00/868752400.db2.gz RZQMMGIURHRCLJ-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM Cc1cccc2sc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c(Cl)c21 ZINC000621119313 868752409 /nfs/dbraw/zinc/75/24/09/868752409.db2.gz RZQMMGIURHRCLJ-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000648433320 882222812 /nfs/dbraw/zinc/22/28/12/882222812.db2.gz XSEVXVYCFNQRPQ-PSASIEDQSA-N -1 3 379.716 3.541 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4[nH]c(=O)oc4c3)nc(=O)c2c1C ZINC000920617722 882223963 /nfs/dbraw/zinc/22/39/63/882223963.db2.gz NMRYCRJSWWCURI-QMMMGPOBSA-N -1 3 385.401 3.779 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)c1ccc(C)o1 ZINC000479945355 868766905 /nfs/dbraw/zinc/76/69/05/868766905.db2.gz AYBOIWFKABHPES-AWEZNQCLSA-N -1 3 375.849 3.745 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000479999832 868884716 /nfs/dbraw/zinc/88/47/16/868884716.db2.gz QUKOGOWPDFXMNX-MRXNPFEDSA-N -1 3 395.477 3.588 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c([O-])c1 ZINC000535542382 868917607 /nfs/dbraw/zinc/91/76/07/868917607.db2.gz LWOUWQYWNQAUDL-GFCCVEGCSA-N -1 3 375.446 3.697 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccco1 ZINC000445756256 868957362 /nfs/dbraw/zinc/95/73/62/868957362.db2.gz DAMASDDULHRUFM-UHFFFAOYSA-N -1 3 398.362 3.964 20 0 GHADHM O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(-c2ccco2)[n-]n1 ZINC000744662577 868988810 /nfs/dbraw/zinc/98/88/10/868988810.db2.gz CBUAQLUFZKVLMJ-KRWDZBQOSA-N -1 3 385.807 3.676 20 0 GHADHM O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(-c2ccco2)n[n-]1 ZINC000744662577 868988813 /nfs/dbraw/zinc/98/88/13/868988813.db2.gz CBUAQLUFZKVLMJ-KRWDZBQOSA-N -1 3 385.807 3.676 20 0 GHADHM Cc1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc2n1 ZINC000744724066 869028996 /nfs/dbraw/zinc/02/89/96/869028996.db2.gz IYIKZZZJLDOPNE-HXUWFJFHSA-N -1 3 390.439 3.597 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(F)(F)C(F)F ZINC000744738057 869059756 /nfs/dbraw/zinc/05/97/56/869059756.db2.gz UGRUYVICGSIMFT-OAHLLOKOSA-N -1 3 399.340 3.697 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1F ZINC000462279224 869153078 /nfs/dbraw/zinc/15/30/78/869153078.db2.gz OSADJOUCMZBKLA-GFCCVEGCSA-N -1 3 377.771 3.559 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)c1 ZINC000181955212 869250675 /nfs/dbraw/zinc/25/06/75/869250675.db2.gz FNIOIFLBSDZPSX-NQIIRXRSSA-N -1 3 392.499 3.630 20 0 GHADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccc2c(c1)C(=O)[N-]C2=O 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PNXDKHCXYOCUBZ-UHFFFAOYSA-N -1 3 399.495 3.518 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ncc(-c3ccc(C)cc3)o2)cc1[O-] ZINC000745650846 869719976 /nfs/dbraw/zinc/71/99/76/869719976.db2.gz MLEFKEDSUWPDTR-UHFFFAOYSA-N -1 3 382.372 3.891 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1[O-] ZINC000745652195 869721203 /nfs/dbraw/zinc/72/12/03/869721203.db2.gz HTNZLXPASXOQJR-GFCCVEGCSA-N -1 3 397.387 3.847 20 0 GHADHM Cc1ccccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000504997156 869741555 /nfs/dbraw/zinc/74/15/55/869741555.db2.gz XQSWGRGKIHARHC-UHFFFAOYSA-N -1 3 389.452 3.928 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cnn(CC4CCC4)c3)nc2)n1 ZINC000897375423 882341799 /nfs/dbraw/zinc/34/17/99/882341799.db2.gz SRACTGDZINUNRY-AWEZNQCLSA-N -1 3 378.480 3.976 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524969618 869852526 /nfs/dbraw/zinc/85/25/26/869852526.db2.gz ICINGSSMWBHLET-HXOBKFHXSA-N -1 3 390.483 3.565 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000745939036 869883575 /nfs/dbraw/zinc/88/35/75/869883575.db2.gz DELXMJAQYDKMIC-UHFFFAOYSA-N -1 3 397.324 3.575 20 0 GHADHM COc1cc(C(=O)N2CCn3c(cc4c3cccc4Cl)C2)cc(OC)c1[O-] ZINC000446511486 869962339 /nfs/dbraw/zinc/96/23/39/869962339.db2.gz HYFDKVJPHCRGST-UHFFFAOYSA-N -1 3 386.835 3.674 20 0 GHADHM CCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000746233558 870120733 /nfs/dbraw/zinc/12/07/33/870120733.db2.gz RPJLUQBDFPVUGC-UHFFFAOYSA-N -1 3 395.352 3.800 20 0 GHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccc(Cl)cc1 ZINC000011810516 882378144 /nfs/dbraw/zinc/37/81/44/882378144.db2.gz CRZFLTRKKGLXAW-MRVPVSSYSA-N -1 3 375.639 3.837 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)Nc3ccc(C)c([O-])c3Cl)c2)o1 ZINC001192266943 870252126 /nfs/dbraw/zinc/25/21/26/870252126.db2.gz MKLNVGVGHKOVCK-UHFFFAOYSA-N -1 3 379.825 3.513 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)(F)F)c2)o1 ZINC001192279900 870261646 /nfs/dbraw/zinc/26/16/46/870261646.db2.gz CQUCABZBLAARBV-HNNXBMFYSA-N -1 3 397.378 3.627 20 0 GHADHM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540041571 870286367 /nfs/dbraw/zinc/28/63/67/870286367.db2.gz SUQVWAIUVMJFDA-UHFFFAOYSA-N -1 3 397.456 3.703 20 0 GHADHM COC[C@H]1COCCC12CCN(C(=O)c1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001192326545 870290271 /nfs/dbraw/zinc/29/02/71/870290271.db2.gz NFNZSDZTLVUEMA-KRWDZBQOSA-N -1 3 375.509 3.595 20 0 GHADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(Br)cc2F)C[C@@H](C)C1 ZINC001192337030 870298166 /nfs/dbraw/zinc/29/81/66/870298166.db2.gz LCRXOPBDRWCSMW-QWRGUYRKSA-N -1 3 378.307 3.939 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])c1nnc(C)o1 ZINC001192340220 870300808 /nfs/dbraw/zinc/30/08/08/870300808.db2.gz OITWTASNADILNZ-IBGZPJMESA-N -1 3 395.459 3.909 20 0 GHADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000546617259 870304726 /nfs/dbraw/zinc/30/47/26/870304726.db2.gz QNLHAALGNMZFAL-CYBMUJFWSA-N -1 3 380.275 3.945 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1F)N1CCCC1 ZINC000189729645 870310655 /nfs/dbraw/zinc/31/06/55/870310655.db2.gz ZJHVQUHAFMFMEF-UHFFFAOYSA-N -1 3 388.873 3.577 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC001192361843 870320795 /nfs/dbraw/zinc/32/07/95/870320795.db2.gz XXNNOKFAUNDWKS-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001192440010 870400396 /nfs/dbraw/zinc/40/03/96/870400396.db2.gz CHUBJFBKIATUCS-LBPRGKRZSA-N -1 3 396.734 3.586 20 0 GHADHM CSCC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nnc2ccccn21 ZINC000920843129 882408423 /nfs/dbraw/zinc/40/84/23/882408423.db2.gz XKVIPUQNYTZZJF-CQSZACIVSA-N -1 3 394.422 3.571 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCCC1 ZINC001212329683 870577106 /nfs/dbraw/zinc/57/71/06/870577106.db2.gz YKSXKQOAYBJOQW-MRXNPFEDSA-N -1 3 391.892 3.660 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461615998 870593442 /nfs/dbraw/zinc/59/34/42/870593442.db2.gz WFXJSTCKCNZMEV-UHFFFAOYSA-N -1 3 391.880 3.600 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OC)c1[O-] ZINC000538765414 870608528 /nfs/dbraw/zinc/60/85/28/870608528.db2.gz QWIRCTQQRLCQRT-UHFFFAOYSA-N -1 3 384.476 3.831 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccccc3Oc3ccccc3)cc2n(C)c1=O ZINC000461631261 870621129 /nfs/dbraw/zinc/62/11/29/870621129.db2.gz KJLKFXMLVRJHDM-UHFFFAOYSA-N -1 3 389.411 3.627 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc3nsnc3cc2Cl)c1 ZINC001192815713 870692792 /nfs/dbraw/zinc/69/27/92/870692792.db2.gz BYCFPZSHDLIDEE-UHFFFAOYSA-N -1 3 383.882 3.717 20 0 GHADHM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000920887916 882438130 /nfs/dbraw/zinc/43/81/30/882438130.db2.gz MZFPDZLAFJIFFU-UHFFFAOYSA-N -1 3 378.428 3.567 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1Cl)c1cnccc1Cl ZINC001192910346 870764980 /nfs/dbraw/zinc/76/49/80/870764980.db2.gz GQFKRHCGONOHJS-UHFFFAOYSA-N -1 3 377.318 3.600 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000174283856 882443940 /nfs/dbraw/zinc/44/39/40/882443940.db2.gz BETRHLOLESPJEW-UHFFFAOYSA-N -1 3 386.411 3.961 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cc(F)ccc2Br)c([O-])c1 ZINC000538871949 870798258 /nfs/dbraw/zinc/79/82/58/870798258.db2.gz CZPCUYPIXQUDDM-UHFFFAOYSA-N -1 3 396.212 3.652 20 0 GHADHM CCOC(=O)CN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H](C)c1ccccc1 ZINC001192963394 870818128 /nfs/dbraw/zinc/81/81/28/870818128.db2.gz ALBBPZPLMMZXRD-QGZVFWFLSA-N -1 3 391.471 3.976 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000775567338 870860587 /nfs/dbraw/zinc/86/05/87/870860587.db2.gz DCPUVFJKSRUCLV-QAPCUYQASA-N -1 3 375.469 3.589 20 0 GHADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775567338 870860595 /nfs/dbraw/zinc/86/05/95/870860595.db2.gz DCPUVFJKSRUCLV-QAPCUYQASA-N -1 3 375.469 3.589 20 0 GHADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(F)c(F)c1F ZINC001193054660 870878676 /nfs/dbraw/zinc/87/86/76/870878676.db2.gz MGHNTMHLIGMYPE-UHFFFAOYSA-N -1 3 376.128 3.833 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)[n-]1 ZINC000617870455 870983605 /nfs/dbraw/zinc/98/36/05/870983605.db2.gz RQULMVSZXKQOIM-UHFFFAOYSA-N -1 3 390.852 3.924 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c[n-]1 ZINC000617870455 870983610 /nfs/dbraw/zinc/98/36/10/870983610.db2.gz RQULMVSZXKQOIM-UHFFFAOYSA-N -1 3 390.852 3.924 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC001193274751 870996779 /nfs/dbraw/zinc/99/67/79/870996779.db2.gz PWWWIAKSLHTBJF-GFCCVEGCSA-N -1 3 390.889 3.608 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000538971030 871001623 /nfs/dbraw/zinc/00/16/23/871001623.db2.gz HXGJNPZMSZKWMR-APPDUMDISA-N -1 3 387.860 3.542 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2csc(C)c2C)c(C)c1Cl ZINC001193443257 871089730 /nfs/dbraw/zinc/08/97/30/871089730.db2.gz BDFXIPNEPVXBHW-UHFFFAOYSA-N -1 3 393.939 3.653 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3ccc([O-])cc3C(F)(F)F)c(C(N)=O)c2C1 ZINC001193735488 871255986 /nfs/dbraw/zinc/25/59/86/871255986.db2.gz NOHQFEGQVTVFOU-QMMMGPOBSA-N -1 3 398.406 3.949 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1Cl ZINC000447257981 871273261 /nfs/dbraw/zinc/27/32/61/871273261.db2.gz PUPRWCURBIUWRQ-UHFFFAOYSA-N -1 3 398.872 3.787 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Oc1ccncc1 ZINC000447268080 871291215 /nfs/dbraw/zinc/29/12/15/871291215.db2.gz SDWYKCHEJMNNEZ-UHFFFAOYSA-N -1 3 398.440 3.754 20 0 GHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1F ZINC001193798892 871313853 /nfs/dbraw/zinc/31/38/53/871313853.db2.gz IPPPYXCICYZABD-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(=Cc2ccccc2OC)c2ccccc2)[n-]1 ZINC000793963231 882504196 /nfs/dbraw/zinc/50/41/96/882504196.db2.gz HDQCAKADWIRZCY-GHRIWEEISA-N -1 3 391.427 3.774 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(=Cc2ccccc2OC)c2ccccc2)c[n-]1 ZINC000793963231 882504208 /nfs/dbraw/zinc/50/42/08/882504208.db2.gz HDQCAKADWIRZCY-GHRIWEEISA-N -1 3 391.427 3.774 20 0 GHADHM COc1cc(CNS(=O)(=O)c2ccc(C)c3ccccc32)cc(Cl)c1[O-] ZINC001193881318 871339401 /nfs/dbraw/zinc/33/94/01/871339401.db2.gz ZFAXZCCBZUQRJW-UHFFFAOYSA-N -1 3 391.876 3.994 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](COCc1ccccc1)c1ccccc1 ZINC000122284406 882501256 /nfs/dbraw/zinc/50/12/56/882501256.db2.gz LGSNDAJHYGLWIE-IBGZPJMESA-N -1 3 386.473 3.528 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1OCC(F)(F)F ZINC000122325535 882503947 /nfs/dbraw/zinc/50/39/47/882503947.db2.gz SDGCNYOBTKXNFB-UHFFFAOYSA-N -1 3 379.331 3.576 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(C(F)(F)F)c1 ZINC000525769356 871405701 /nfs/dbraw/zinc/40/57/01/871405701.db2.gz QSHKONSPKOPPHF-INIZCTEOSA-N -1 3 390.361 3.716 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)[n-]n1 ZINC000181754363 871462060 /nfs/dbraw/zinc/46/20/60/871462060.db2.gz BTUOSNWPJUUWPC-AWEZNQCLSA-N -1 3 380.448 3.866 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)n[n-]1 ZINC000181754363 871462066 /nfs/dbraw/zinc/46/20/66/871462066.db2.gz BTUOSNWPJUUWPC-AWEZNQCLSA-N -1 3 380.448 3.866 20 0 GHADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001194094920 871502255 /nfs/dbraw/zinc/50/22/55/871502255.db2.gz OUBNLHNLYLMVGY-UHFFFAOYSA-N -1 3 381.251 3.841 20 0 GHADHM CC(C)(C)OCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000618334460 871509035 /nfs/dbraw/zinc/50/90/35/871509035.db2.gz PTYOPKUMUZFOKQ-HXUWFJFHSA-N -1 3 398.503 3.575 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000921006612 882524397 /nfs/dbraw/zinc/52/43/97/882524397.db2.gz CSVPUKJAKNRPQG-HNNXBMFYSA-N -1 3 385.769 3.992 20 0 GHADHM COCc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1OC ZINC001169560253 871638608 /nfs/dbraw/zinc/63/86/08/871638608.db2.gz IZBYSPFACAUPMO-UHFFFAOYSA-N -1 3 394.427 3.779 20 0 GHADHM C[S@](=O)c1nc(Cl)c(Br)c(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212591404 871640384 /nfs/dbraw/zinc/64/03/84/871640384.db2.gz KRYJPWMJJOBUSY-FQEVSTJZSA-N -1 3 397.081 3.733 20 0 GHADHM O=S(=O)([N-]c1cnncc1Br)c1cccc2c(Cl)cccc21 ZINC001194412783 871682076 /nfs/dbraw/zinc/68/20/76/871682076.db2.gz JIKXTFHQNIANAT-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)C1[C@H]2CCCCCC[C@H]12 ZINC001169621300 871683943 /nfs/dbraw/zinc/68/39/43/871683943.db2.gz ISHQJYQMEYSRPP-RYUDHWBXSA-N -1 3 390.285 3.784 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)C1[C@H]2CCCCCC[C@H]12 ZINC001169621300 871683952 /nfs/dbraw/zinc/68/39/52/871683952.db2.gz ISHQJYQMEYSRPP-RYUDHWBXSA-N -1 3 390.285 3.784 20 0 GHADHM O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000618537531 871707175 /nfs/dbraw/zinc/70/71/75/871707175.db2.gz IAPGDZUGKJZNME-MRXNPFEDSA-N -1 3 393.270 3.620 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000539373314 871809923 /nfs/dbraw/zinc/80/99/23/871809923.db2.gz RUUIREUPZBGZJB-UHFFFAOYSA-N -1 3 382.493 3.855 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000539373314 871809936 /nfs/dbraw/zinc/80/99/36/871809936.db2.gz RUUIREUPZBGZJB-UHFFFAOYSA-N -1 3 382.493 3.855 20 0 GHADHM Cc1cc(Br)cc2c1CN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000539372563 871811973 /nfs/dbraw/zinc/81/19/73/871811973.db2.gz BKIVWEXGRZYVHU-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000794031711 882560432 /nfs/dbraw/zinc/56/04/32/882560432.db2.gz BSVJYPWBOYWPQJ-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000447611872 871987869 /nfs/dbraw/zinc/98/78/69/871987869.db2.gz NMAOUJPKPCGGGX-UHFFFAOYSA-N -1 3 394.450 3.652 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1C ZINC001194863755 871994863 /nfs/dbraw/zinc/99/48/63/871994863.db2.gz GCGJRICRBXPGJZ-UHFFFAOYSA-N -1 3 395.452 3.655 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)c(C)c1C ZINC001194863148 871995334 /nfs/dbraw/zinc/99/53/34/871995334.db2.gz BSDBPUUJBMISCG-GOSISDBHSA-N -1 3 375.490 3.791 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)C(C)(C)C ZINC001194925681 872034585 /nfs/dbraw/zinc/03/45/85/872034585.db2.gz NZTXJEHJTGRTGL-SECBINFHSA-N -1 3 382.295 3.557 20 0 GHADHM O=S(=O)([N-]CCOc1ccc2cc(Br)ccc2c1)c1ccco1 ZINC000526086078 872077273 /nfs/dbraw/zinc/07/72/73/872077273.db2.gz YRPKZVTVWRKEGI-UHFFFAOYSA-N -1 3 396.262 3.553 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC001194991530 872093477 /nfs/dbraw/zinc/09/34/77/872093477.db2.gz KRMRMWZJJRLKRC-GOSISDBHSA-N -1 3 378.469 3.714 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cccc(C)c3Cl)c2)[n-]1 ZINC000447683632 872095157 /nfs/dbraw/zinc/09/51/57/872095157.db2.gz RWCQNORRDIWMEG-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cccc(C)c3Cl)c2)n[n-]1 ZINC000447683632 872095178 /nfs/dbraw/zinc/09/51/78/872095178.db2.gz RWCQNORRDIWMEG-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](C)CCC(C)(C)C)c2)[n-]1 ZINC000447687125 872115565 /nfs/dbraw/zinc/11/55/65/872115565.db2.gz SORLQTMIIQNYEL-AWEZNQCLSA-N -1 3 386.496 3.727 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](C)CCC(C)(C)C)c2)n[n-]1 ZINC000447687125 872115577 /nfs/dbraw/zinc/11/55/77/872115577.db2.gz SORLQTMIIQNYEL-AWEZNQCLSA-N -1 3 386.496 3.727 20 0 GHADHM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1Cl ZINC000182270122 872126746 /nfs/dbraw/zinc/12/67/46/872126746.db2.gz ALFUNGDBKMSPNY-UHFFFAOYSA-N -1 3 388.048 3.831 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1C(F)(F)F ZINC001195224750 872267135 /nfs/dbraw/zinc/26/71/35/872267135.db2.gz OUIITPPLUCAKGX-GFCCVEGCSA-N -1 3 381.391 3.615 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1C(F)(F)F ZINC001195224962 872267820 /nfs/dbraw/zinc/26/78/20/872267820.db2.gz OUIITPPLUCAKGX-LBPRGKRZSA-N -1 3 381.391 3.615 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195276546 872301393 /nfs/dbraw/zinc/30/13/93/872301393.db2.gz MKNKQKBBQNIEQN-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302487 872324495 /nfs/dbraw/zinc/32/44/95/872324495.db2.gz HKNFMPCJVSRCFA-GFCCVEGCSA-N -1 3 382.357 3.516 20 0 GHADHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(C(C)(C)C)ccc1OC ZINC001195447700 872394504 /nfs/dbraw/zinc/39/45/04/872394504.db2.gz FWJVZFBCHAHVEM-UHFFFAOYSA-N -1 3 397.431 3.958 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c1 ZINC000122566861 882617052 /nfs/dbraw/zinc/61/70/52/882617052.db2.gz CCICEZRMSFANIC-NRFANRHFSA-N -1 3 389.455 3.768 20 0 GHADHM CCCc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cnn1-c1ccccc1 ZINC000447889343 872478737 /nfs/dbraw/zinc/47/87/37/872478737.db2.gz PQRDTUBQYYJFQK-UHFFFAOYSA-N -1 3 377.370 3.951 20 0 GHADHM Cc1ccc(CCNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000540944470 872553057 /nfs/dbraw/zinc/55/30/57/872553057.db2.gz DQESJRSTLPRGJU-OAQYLSRUSA-N -1 3 392.455 3.514 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1OC(C)C ZINC000463785027 872596288 /nfs/dbraw/zinc/59/62/88/872596288.db2.gz DAEGKESDXUJPIM-UHFFFAOYSA-N -1 3 391.489 3.997 20 0 GHADHM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(I)ccc2[O-])C1 ZINC000619441268 872631006 /nfs/dbraw/zinc/63/10/06/872631006.db2.gz JVNQTPPHXROCHI-ZYHUDNBSSA-N -1 3 389.233 3.531 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)[n-]1 ZINC000619448355 872636581 /nfs/dbraw/zinc/63/65/81/872636581.db2.gz NWHLJQYGNXDPEZ-KRWDZBQOSA-N -1 3 399.834 3.999 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c[n-]1 ZINC000619448355 872636587 /nfs/dbraw/zinc/63/65/87/872636587.db2.gz NWHLJQYGNXDPEZ-KRWDZBQOSA-N -1 3 399.834 3.999 20 0 GHADHM O=S(=O)([N-]C/C=C\Cl)c1csc(-c2ccc(Br)cc2)n1 ZINC001195744540 872645660 /nfs/dbraw/zinc/64/56/60/872645660.db2.gz NTSPPPJVIAWCRB-BHQIHCQQSA-N -1 3 393.715 3.603 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000619449879 872666390 /nfs/dbraw/zinc/66/63/90/872666390.db2.gz YUMSFGJCQVNAQH-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)c[n-]1 ZINC000619449879 872666403 /nfs/dbraw/zinc/66/64/03/872666403.db2.gz YUMSFGJCQVNAQH-UHFFFAOYSA-N -1 3 383.370 3.813 20 0 GHADHM CCO[C@H]1C[C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C12CCCCC2 ZINC000182734083 872736545 /nfs/dbraw/zinc/73/65/45/872736545.db2.gz PHQIPWPVUXJAHD-ROUUACIJSA-N -1 3 382.526 3.607 20 0 GHADHM COc1cccc2c1CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C2 ZINC001195944703 872743423 /nfs/dbraw/zinc/74/34/23/872743423.db2.gz NSRKDNWOKJWOSP-ZDUSSCGKSA-N -1 3 385.938 3.944 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000463892928 872805654 /nfs/dbraw/zinc/80/56/54/872805654.db2.gz DJFLTQKEISIOEO-NEPJUHHUSA-N -1 3 395.352 3.603 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)sc1Cl ZINC000191917806 882666357 /nfs/dbraw/zinc/66/63/57/882666357.db2.gz SLOONHLWLKKARV-UHFFFAOYSA-N -1 3 393.317 3.589 20 0 GHADHM O=C(Nc1ccc(C2CCC2)nc1)c1cc([O-])cc(I)c1 ZINC001196402366 873077603 /nfs/dbraw/zinc/07/76/03/873077603.db2.gz PPNHPNVKBCWLNN-UHFFFAOYSA-N -1 3 394.212 3.912 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ncccc2C(F)(F)F)C2CC2)c(F)c1 ZINC001196406684 873096266 /nfs/dbraw/zinc/09/62/66/873096266.db2.gz BWISNNVZIJCSPY-OAHLLOKOSA-N -1 3 388.386 3.978 20 0 GHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC001196451564 873136197 /nfs/dbraw/zinc/13/61/97/873136197.db2.gz DODYZCZBUBFUMQ-UHFFFAOYSA-N -1 3 391.493 3.900 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499534 873184360 /nfs/dbraw/zinc/18/43/60/873184360.db2.gz JSJQYLCLHKUVLY-OAHLLOKOSA-N -1 3 386.839 3.563 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(C2CCCCC2)n1 ZINC000527498001 873218586 /nfs/dbraw/zinc/21/85/86/873218586.db2.gz CGYSOLBUCDCJLM-UHFFFAOYSA-N -1 3 378.270 3.786 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(F)cc1Br ZINC000061095163 882706708 /nfs/dbraw/zinc/70/67/08/882706708.db2.gz WKHDQXKMLXOQRN-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1ccc(F)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000176629938 882720394 /nfs/dbraw/zinc/72/03/94/882720394.db2.gz NLVQPUZVPXYQBB-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM O=c1cc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c2ccc([O-])cc2o1 ZINC000858019562 882733486 /nfs/dbraw/zinc/73/34/86/882733486.db2.gz QCLWLNGJRFAJMZ-LJQANCHMSA-N -1 3 392.455 3.814 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2F)c1 ZINC001197115785 873608892 /nfs/dbraw/zinc/60/88/92/873608892.db2.gz SUBLYQOBOOEKJN-VOTSOKGWSA-N -1 3 383.828 3.775 20 0 GHADHM CS[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)(C)C ZINC000541452132 873629221 /nfs/dbraw/zinc/62/92/21/873629221.db2.gz YUHGMNVDWZIPJF-HNNXBMFYSA-N -1 3 397.338 3.798 20 0 GHADHM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000541483281 873665363 /nfs/dbraw/zinc/66/53/63/873665363.db2.gz QWGYDKVBRMRYOI-INIZCTEOSA-N -1 3 392.887 3.739 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-n4cc[nH]c4=S)c3)c[n-]c12 ZINC000768937209 873704167 /nfs/dbraw/zinc/70/41/67/873704167.db2.gz DLBQCLNXWLKIKS-UHFFFAOYSA-N -1 3 394.431 3.702 20 0 GHADHM CN(Cc1cccc(F)c1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541558414 873862686 /nfs/dbraw/zinc/86/26/86/873862686.db2.gz OLMRHJHGSXXBAR-UHFFFAOYSA-N -1 3 389.224 3.702 20 0 GHADHM COC(=O)c1cccc(C(=O)[N-]c2nc(F)cc(C(F)(F)F)c2F)c1F ZINC001197628213 873924531 /nfs/dbraw/zinc/92/45/31/873924531.db2.gz DAAXEVIRDMHNBF-UHFFFAOYSA-N -1 3 378.228 3.557 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1c(F)ccc(Br)c1F ZINC001197608070 873939349 /nfs/dbraw/zinc/93/93/49/873939349.db2.gz LMXDMAJGBAHIDS-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM N=C(N)N(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ccccc1F ZINC001197722414 874007905 /nfs/dbraw/zinc/00/79/05/874007905.db2.gz CTBRPQNWYLPIOT-UHFFFAOYSA-N -1 3 379.391 3.651 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccn2)cc1F ZINC001197829009 874082291 /nfs/dbraw/zinc/08/22/91/874082291.db2.gz BREJWUAWQCGWGA-UHFFFAOYSA-N -1 3 381.429 3.510 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000541729025 874178295 /nfs/dbraw/zinc/17/82/95/874178295.db2.gz BIDXBNBWIMULNX-MRXNPFEDSA-N -1 3 395.440 3.518 20 0 GHADHM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000464643527 874220436 /nfs/dbraw/zinc/22/04/36/874220436.db2.gz NQHKSPHRNQBPPV-LJQANCHMSA-N -1 3 390.483 3.700 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc([C@H](C)CC)cc3)CC2)n[n-]1 ZINC000769767863 874267720 /nfs/dbraw/zinc/26/77/20/874267720.db2.gz CRNLLOVWTLEDBX-CQSZACIVSA-N -1 3 384.480 3.515 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc([C@H](C)CC)cc3)CC2)[n-]1 ZINC000769767863 874267728 /nfs/dbraw/zinc/26/77/28/874267728.db2.gz CRNLLOVWTLEDBX-CQSZACIVSA-N -1 3 384.480 3.515 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccccc1OC1CCCC1 ZINC001198394597 874407896 /nfs/dbraw/zinc/40/78/96/874407896.db2.gz DLVHCUNXFGFXQF-UHFFFAOYSA-N -1 3 378.436 3.756 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccccc1OC1CCCC1 ZINC001198394597 874407903 /nfs/dbraw/zinc/40/79/03/874407903.db2.gz DLVHCUNXFGFXQF-UHFFFAOYSA-N -1 3 378.436 3.756 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OC4CCCC4)nc3)cc2)n1 ZINC000541911517 874511117 /nfs/dbraw/zinc/51/11/17/874511117.db2.gz LJIUEMJZGNIHOU-UHFFFAOYSA-N -1 3 390.443 3.714 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC001198710459 874600924 /nfs/dbraw/zinc/60/09/24/874600924.db2.gz SAUIZJDJLOMGSK-UHFFFAOYSA-N -1 3 375.277 3.611 20 0 GHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(I)c2)c1 ZINC000610055997 874653323 /nfs/dbraw/zinc/65/33/23/874653323.db2.gz DUMGBIIFJWNVNQ-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC(C)(C)C)c2)c(C)c1 ZINC001198951203 874745892 /nfs/dbraw/zinc/74/58/92/874745892.db2.gz QHRBCDQOOASVIT-UHFFFAOYSA-N -1 3 395.452 3.899 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(-c4nc[nH]n4)cc3)nc(=O)c2c1C ZINC000770575866 874763901 /nfs/dbraw/zinc/76/39/01/874763901.db2.gz UBCKINACNYDESU-JTQLQIEISA-N -1 3 395.444 3.717 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000770708313 874844707 /nfs/dbraw/zinc/84/47/07/874844707.db2.gz FAOXOGRKAATRBE-XPTSAGLGSA-N -1 3 393.267 3.582 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000770949056 874960990 /nfs/dbraw/zinc/96/09/90/874960990.db2.gz COIVNJLKEUNZBU-BEFAXECRSA-N -1 3 394.427 3.854 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465029393 874971080 /nfs/dbraw/zinc/97/10/80/874971080.db2.gz QLVJKZZDBGHDHU-RDTXWAMCSA-N -1 3 390.480 3.935 20 0 GHADHM CC(C)(C)c1cc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC001199955561 875254127 /nfs/dbraw/zinc/25/41/27/875254127.db2.gz ALKJPTLGHACIDM-UHFFFAOYSA-N -1 3 396.499 3.684 20 0 GHADHM CC(C)(C)c1cc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC001199955561 875254140 /nfs/dbraw/zinc/25/41/40/875254140.db2.gz ALKJPTLGHACIDM-UHFFFAOYSA-N -1 3 396.499 3.684 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000776100834 875341642 /nfs/dbraw/zinc/34/16/42/875341642.db2.gz CHQQQOOFUVUKTK-CYBMUJFWSA-N -1 3 399.373 3.613 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)[nH][n-]1 ZINC000528962114 875352095 /nfs/dbraw/zinc/35/20/95/875352095.db2.gz BZJWHJFTZCRJGR-CYBMUJFWSA-N -1 3 389.381 3.538 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@H](c2ccncc2C(F)(F)F)C2CC2)c1F ZINC001200864915 875368656 /nfs/dbraw/zinc/36/86/56/875368656.db2.gz AVFHFPHZYBLIST-INIZCTEOSA-N -1 3 388.386 3.978 20 0 GHADHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc([O-])cc(Br)c1 ZINC000529040968 875470353 /nfs/dbraw/zinc/47/03/53/875470353.db2.gz PDDZWLGQKIIUMP-RDJZCZTQSA-N -1 3 376.250 3.805 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc4sc(C)c(C)c4c(N)n3)n[n-]2)o1 ZINC000771922796 875528688 /nfs/dbraw/zinc/52/86/88/875528688.db2.gz TXMVVWSXLJPHKG-UHFFFAOYSA-N -1 3 383.433 3.539 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3nc4sc(C)c(C)c4c(N)n3)[n-]n2)o1 ZINC000771922796 875528695 /nfs/dbraw/zinc/52/86/95/875528695.db2.gz TXMVVWSXLJPHKG-UHFFFAOYSA-N -1 3 383.433 3.539 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)c1ccccc1 ZINC001201283042 875590764 /nfs/dbraw/zinc/59/07/64/875590764.db2.gz STZJNWASIFVLRG-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM Cc1cccc([C@@H](C)C(=O)N[N-]C(=O)c2ccc(Br)cc2Cl)c1 ZINC000151583304 875631220 /nfs/dbraw/zinc/63/12/20/875631220.db2.gz DZBRIEJZKGMKRG-LLVKDONJSA-N -1 3 395.684 3.976 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c1 ZINC000491530190 875762008 /nfs/dbraw/zinc/76/20/08/875762008.db2.gz JYAWTXCRSMXDRA-UHFFFAOYSA-N -1 3 389.473 3.760 20 0 GHADHM CCSc1nnc([N-]C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)s1 ZINC000491549816 875792723 /nfs/dbraw/zinc/79/27/23/875792723.db2.gz IMGRAUPYRWQDTF-UHFFFAOYSA-N -1 3 379.433 3.873 20 0 GHADHM Cc1ccc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)nc1 ZINC000772263433 875811454 /nfs/dbraw/zinc/81/14/54/875811454.db2.gz QFKXPIRPGZUWON-OAQYLSRUSA-N -1 3 390.439 3.700 20 0 GHADHM Cc1cc([N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(F)cc1Cl ZINC001201696822 875824871 /nfs/dbraw/zinc/82/48/71/875824871.db2.gz WPVASAJGUHBCBX-LLVKDONJSA-N -1 3 392.880 3.539 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000491600275 875834734 /nfs/dbraw/zinc/83/47/34/875834734.db2.gz AKYDEPQEKKTGNU-GFCCVEGCSA-N -1 3 399.843 3.741 20 0 GHADHM O=c1cc([N-]S(=O)(=O)c2cccc(F)c2Br)c2ccccc2[nH]1 ZINC001201771134 875852189 /nfs/dbraw/zinc/85/21/89/875852189.db2.gz HMBSRLJZGXLSLU-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3cccc(F)c3Br)c[nH]c-2c1 ZINC001201773322 875855093 /nfs/dbraw/zinc/85/50/93/875855093.db2.gz VIEJLYAYEJLFOH-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cccc(F)c1Br ZINC001201792544 875859190 /nfs/dbraw/zinc/85/91/90/875859190.db2.gz QMOQMQNNGFIXOR-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Nc2nccs2)cc1F ZINC000913695314 875879738 /nfs/dbraw/zinc/87/97/38/875879738.db2.gz AGKCBRXLKZMMKC-UHFFFAOYSA-N -1 3 399.451 3.719 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C1CC1)c1cccc(F)c1Br ZINC001201790995 875885135 /nfs/dbraw/zinc/88/51/35/875885135.db2.gz HQBAWSIHXVSJFA-UHFFFAOYSA-N -1 3 384.270 3.944 20 0 GHADHM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529232351 875887964 /nfs/dbraw/zinc/88/79/64/875887964.db2.gz NCLVEHZBUQALFR-HNNXBMFYSA-N -1 3 378.270 3.739 20 0 GHADHM O=C(Nc1ccccc1Br)Nc1ncc([O-])cc1Br ZINC001201968085 875957173 /nfs/dbraw/zinc/95/71/73/875957173.db2.gz RXZSQIJFGRBWBJ-UHFFFAOYSA-N -1 3 387.031 3.956 20 0 GHADHM CCN(C(=O)c1cc([O-])cc(Br)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000529406754 876087024 /nfs/dbraw/zinc/08/70/24/876087024.db2.gz CQOMIDRJTHRUCP-PXAZEXFGSA-N -1 3 378.266 3.739 20 0 GHADHM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cc([O-])cc(Br)c1 ZINC000529410518 876103191 /nfs/dbraw/zinc/10/31/91/876103191.db2.gz MLZFGIYUOLBBOT-LBPRGKRZSA-N -1 3 393.256 3.550 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1C ZINC000475745099 883006608 /nfs/dbraw/zinc/00/66/08/883006608.db2.gz BYUCXXFEKBBUHC-UHFFFAOYSA-N -1 3 386.477 3.590 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000786031449 876418304 /nfs/dbraw/zinc/41/83/04/876418304.db2.gz AZNGTKPWABWAGL-UHFFFAOYSA-N -1 3 384.407 3.685 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000786140501 876469512 /nfs/dbraw/zinc/46/95/12/876469512.db2.gz QQQXSRODTFKIHB-UHFFFAOYSA-N -1 3 397.408 3.603 20 0 GHADHM Cc1nc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)oc1C ZINC000746573446 876503923 /nfs/dbraw/zinc/50/39/23/876503923.db2.gz MBIXQACGDJOLHA-IBGZPJMESA-N -1 3 394.427 3.602 20 0 GHADHM COC(=O)c1sc(NC(=O)Cc2ccc([O-])c(F)c2)nc1C1CCCC1 ZINC000450578446 876637916 /nfs/dbraw/zinc/63/79/16/876637916.db2.gz AMPVSZYLWNPZHU-UHFFFAOYSA-N -1 3 378.425 3.613 20 0 GHADHM CC(=O)Nc1ccc(CN2CCC(N=c3[n-]c(C(F)(F)F)cs3)CC2)cc1 ZINC000450783887 876885185 /nfs/dbraw/zinc/88/51/85/876885185.db2.gz FWILCSXRIJXZKW-UHFFFAOYSA-N -1 3 398.454 3.619 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(SC)cc1 ZINC000582390351 877078524 /nfs/dbraw/zinc/07/85/24/877078524.db2.gz DUPHOWGBBHZQBG-MRXNPFEDSA-N -1 3 379.865 3.802 20 0 GHADHM Cc1cccc(C2(O)CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1C ZINC000787066715 877125129 /nfs/dbraw/zinc/12/51/29/877125129.db2.gz VDGRPIAEEQTVET-UHFFFAOYSA-N -1 3 385.479 3.981 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-n2nc(C)cc2C)c1)c1ccccc1 ZINC000450977890 877175423 /nfs/dbraw/zinc/17/54/23/877175423.db2.gz BYGXHEMWVQFERA-FQEVSTJZSA-N -1 3 385.489 3.619 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(COC(C)C)c1)c1ccc(F)cc1 ZINC000530134695 877185131 /nfs/dbraw/zinc/18/51/31/877185131.db2.gz RCKHLOGDVRCKBF-LJQANCHMSA-N -1 3 381.469 3.880 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1C(C)C ZINC000530135487 877186715 /nfs/dbraw/zinc/18/67/15/877186715.db2.gz VPPKETQODGJIJD-UHFFFAOYSA-N -1 3 379.478 3.650 20 0 GHADHM CCN(CC)[C@H](CN=c1[n-]nc(COC)s1)c1ccc(C(F)(F)F)cc1 ZINC000477197995 877200470 /nfs/dbraw/zinc/20/04/70/877200470.db2.gz XHAZEBOAXQMPAX-CQSZACIVSA-N -1 3 388.459 3.620 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787302195 877329959 /nfs/dbraw/zinc/32/99/59/877329959.db2.gz HHFRXCMZCZVENI-WMLDXEAASA-N -1 3 394.487 3.616 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2sc3nccc(C)c3c2C)s1 ZINC000610054897 877337099 /nfs/dbraw/zinc/33/70/99/877337099.db2.gz TZHKSEHZGBCNIN-UHFFFAOYSA-N -1 3 390.490 3.513 20 0 GHADHM O=C(N[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)c1cc2ccccc2o1 ZINC000551553072 877422195 /nfs/dbraw/zinc/42/21/95/877422195.db2.gz PRFSEJAQOXUIDQ-AWEZNQCLSA-N -1 3 398.846 3.826 20 0 GHADHM CCN(C(C)=O)c1nc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cs1 ZINC000477417192 877618056 /nfs/dbraw/zinc/61/80/56/877618056.db2.gz GWUQIFTVEKPPAS-FOWTUZBSSA-N -1 3 380.473 3.795 20 0 GHADHM CCc1cccc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1[O-] ZINC000787785639 877619852 /nfs/dbraw/zinc/61/98/52/877619852.db2.gz LWZKGHNLDVZRFS-UHFFFAOYSA-N -1 3 396.487 3.733 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787842614 877658865 /nfs/dbraw/zinc/65/88/65/877658865.db2.gz HPRAJTDIOFXMAX-OAHLLOKOSA-N -1 3 387.451 3.837 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000787842503 877660775 /nfs/dbraw/zinc/66/07/75/877660775.db2.gz FMNSXVJBOLSZRS-LJQANCHMSA-N -1 3 389.398 3.732 20 0 GHADHM COc1ccc(-c2noc(COC(=O)CCCc3ccc([O-])c(F)c3)n2)cc1 ZINC000787847534 877665495 /nfs/dbraw/zinc/66/54/95/877665495.db2.gz HBJGASDAGINTFS-UHFFFAOYSA-N -1 3 386.379 3.656 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000787845821 877665519 /nfs/dbraw/zinc/66/55/19/877665519.db2.gz QGRRIYLFBGPQJM-HUUCEWRRSA-N -1 3 385.435 3.764 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000787847165 877668152 /nfs/dbraw/zinc/66/81/52/877668152.db2.gz YNKSXXIEGPQRPT-HXUWFJFHSA-N -1 3 389.398 3.556 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc2c(Cl)ccnc21)c1nc(C(C)(C)C)no1 ZINC000451285624 877712492 /nfs/dbraw/zinc/71/24/92/877712492.db2.gz RAUCIELRRQQSHH-SNVBAGLBSA-N -1 3 394.884 3.608 20 0 GHADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000451361122 877857967 /nfs/dbraw/zinc/85/79/67/877857967.db2.gz MALRJTHALZSHPP-ZDUSSCGKSA-N -1 3 392.374 3.591 20 0 GHADHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000060509739 877902259 /nfs/dbraw/zinc/90/22/59/877902259.db2.gz ROPUIAVWZBCEMR-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000175917610 877991152 /nfs/dbraw/zinc/99/11/52/877991152.db2.gz RCCXNWKMEZIKLL-UHFFFAOYSA-N -1 3 381.457 3.632 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4sccc4c([O-])c3)C2)nc1 ZINC000788283975 877992436 /nfs/dbraw/zinc/99/24/36/877992436.db2.gz RAENQRQWLDYEPV-AWEZNQCLSA-N -1 3 395.484 3.801 20 0 GHADHM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000788480384 878093498 /nfs/dbraw/zinc/09/34/98/878093498.db2.gz OWYAWJJYQNXTAL-UHFFFAOYSA-N -1 3 391.493 3.758 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000537756544 878248770 /nfs/dbraw/zinc/24/87/70/878248770.db2.gz WBEKGEKPNCLEOD-LLVKDONJSA-N -1 3 382.386 3.650 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)c([O-])c1 ZINC000537767838 878268214 /nfs/dbraw/zinc/26/82/14/878268214.db2.gz ZELJYJPXDNLXDK-UHFFFAOYSA-N -1 3 394.221 3.592 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000530656706 878276113 /nfs/dbraw/zinc/27/61/13/878276113.db2.gz YNNKRHRIUKLVBE-LJQANCHMSA-N -1 3 378.403 3.511 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2[O-])cc1F ZINC000530719103 878379716 /nfs/dbraw/zinc/37/97/16/878379716.db2.gz VOPYEJHOXMQQBL-UHFFFAOYSA-N -1 3 396.212 3.904 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(F)c2)sc1Cl ZINC000788902152 878438731 /nfs/dbraw/zinc/43/87/31/878438731.db2.gz BZRQZSQUSSATRN-LLVKDONJSA-N -1 3 384.281 3.514 20 0 GHADHM O=C([N-][C@@H]1CN(CC2CC(F)(F)C2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC000852672199 878509462 /nfs/dbraw/zinc/50/94/62/878509462.db2.gz PSLAFSZTODRHMJ-HUUCEWRRSA-N -1 3 376.369 3.568 20 0 GHADHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1Cl ZINC000180289989 878748135 /nfs/dbraw/zinc/74/81/35/878748135.db2.gz OHYRPOSGSRNDAI-UHFFFAOYSA-N -1 3 382.612 3.751 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853034753 878762853 /nfs/dbraw/zinc/76/28/53/878762853.db2.gz FSRYXVULZHJCOH-OAHLLOKOSA-N -1 3 380.275 3.810 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCSC[C@H]2C2CC2)s1 ZINC000888483275 878824047 /nfs/dbraw/zinc/82/40/47/878824047.db2.gz PAKHSGGSFIAAOQ-LBPRGKRZSA-N -1 3 383.539 3.848 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C1CCCC1 ZINC000452000278 878831776 /nfs/dbraw/zinc/83/17/76/878831776.db2.gz YJPIFNYJVAUFEX-CQSZACIVSA-N -1 3 376.881 3.685 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000538119347 878841702 /nfs/dbraw/zinc/84/17/02/878841702.db2.gz FSTZDQXXTCFVDE-CZUORRHYSA-N -1 3 390.263 3.941 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000060921639 878891433 /nfs/dbraw/zinc/89/14/33/878891433.db2.gz CNTVFHPEWDVVMS-UHFFFAOYSA-N -1 3 385.835 3.986 20 0 GHADHM O=C(NCCc1csc(-c2ccccc2)n1)c1cc(=O)c2ccccc2[n-]1 ZINC000531004275 878902256 /nfs/dbraw/zinc/90/22/56/878902256.db2.gz JFGNMUCNLGNQNW-UHFFFAOYSA-N -1 3 375.453 3.624 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)s1 ZINC000460959746 878916149 /nfs/dbraw/zinc/91/61/49/878916149.db2.gz REFOGSWSBKJJLJ-UHFFFAOYSA-N -1 3 393.465 3.510 20 0 GHADHM COc1ccccc1C(C)(C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000138857012 878967149 /nfs/dbraw/zinc/96/71/49/878967149.db2.gz ZWMHXGJCHHWVJB-UHFFFAOYSA-N -1 3 393.281 3.898 20 0 GHADHM Cc1cc(C(=O)NN=c2ccc(Cl)n[n-]2)nn1-c1ccc(Cl)cc1Cl ZINC000180562983 879032692 /nfs/dbraw/zinc/03/26/92/879032692.db2.gz QCHNCTUMTXTZTD-UHFFFAOYSA-N -1 3 397.653 3.688 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1C ZINC000538298378 879208131 /nfs/dbraw/zinc/20/81/31/879208131.db2.gz HVRRYEBEENHDEE-UHFFFAOYSA-N -1 3 381.519 3.851 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000111578266 879275038 /nfs/dbraw/zinc/27/50/38/879275038.db2.gz OMAHDTYPUTUCGY-LBPRGKRZSA-N -1 3 390.468 3.846 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)N1c2ccccc2CCc2ccccc21 ZINC000790074504 879416472 /nfs/dbraw/zinc/41/64/72/879416472.db2.gz FIMGGKBOQWMLRJ-UHFFFAOYSA-N -1 3 398.422 3.578 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)N1c2ccccc2CCc2ccccc21 ZINC000790074504 879416485 /nfs/dbraw/zinc/41/64/85/879416485.db2.gz FIMGGKBOQWMLRJ-UHFFFAOYSA-N -1 3 398.422 3.578 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)N1c2ccccc2CCc2ccccc21 ZINC000790074504 879416496 /nfs/dbraw/zinc/41/64/96/879416496.db2.gz FIMGGKBOQWMLRJ-UHFFFAOYSA-N -1 3 398.422 3.578 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1c(Cl)cc(Cl)cc1Cl ZINC000790075011 879416657 /nfs/dbraw/zinc/41/66/57/879416657.db2.gz IHQOAAJKCUZIKO-UHFFFAOYSA-N -1 3 399.621 3.714 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1c(Cl)cc(Cl)cc1Cl ZINC000790075011 879416668 /nfs/dbraw/zinc/41/66/68/879416668.db2.gz IHQOAAJKCUZIKO-UHFFFAOYSA-N -1 3 399.621 3.714 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1c(Cl)cc(Cl)cc1Cl ZINC000790075011 879416679 /nfs/dbraw/zinc/41/66/79/879416679.db2.gz IHQOAAJKCUZIKO-UHFFFAOYSA-N -1 3 399.621 3.714 20 0 GHADHM O=S(=O)([N-]CCc1cccs1)c1cccc(Cl)c1Br ZINC000493519743 879495157 /nfs/dbraw/zinc/49/51/57/879495157.db2.gz DORVTSYWJDWQSM-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM Cc1ccnc(Oc2cc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)ccc2C)c1 ZINC000461318562 879602631 /nfs/dbraw/zinc/60/26/31/879602631.db2.gz RRGHFWPWIIIGIY-UHFFFAOYSA-N -1 3 378.432 3.784 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccnc2OC(C)C)[nH][n-]1 ZINC000493787365 879628659 /nfs/dbraw/zinc/62/86/59/879628659.db2.gz MDUMRVNCPXISJG-UHFFFAOYSA-N -1 3 386.839 3.595 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccccc3OC)s2)s1 ZINC000452530801 879634627 /nfs/dbraw/zinc/63/46/27/879634627.db2.gz KLILLXHDEWCHEH-UHFFFAOYSA-N -1 3 390.490 3.767 20 0 GHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)s1 ZINC000493896162 879725025 /nfs/dbraw/zinc/72/50/25/879725025.db2.gz DIRWMCBUZQVBDM-LURJTMIESA-N -1 3 385.820 3.558 20 0 GHADHM CCOc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc(Cl)c1[O-] ZINC000493998528 879802544 /nfs/dbraw/zinc/80/25/44/879802544.db2.gz DPCOPFREVZZUHH-RDTXWAMCSA-N -1 3 388.895 3.837 20 0 GHADHM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC000461441881 879820094 /nfs/dbraw/zinc/82/00/94/879820094.db2.gz DICHTGOZWYTXTA-UHFFFAOYSA-N -1 3 396.393 3.503 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)OC)cc2)cc1C ZINC000546780680 879851057 /nfs/dbraw/zinc/85/10/57/879851057.db2.gz QIEJZUAFIZTATG-HNNXBMFYSA-N -1 3 391.489 3.546 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc(-c4ccccc4)oc3C)nc21 ZINC000494097388 879885198 /nfs/dbraw/zinc/88/51/98/879885198.db2.gz UYCXOXKEJHTWNL-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ccccc3Cl)[n-]c(=O)c21 ZINC000140314197 879937547 /nfs/dbraw/zinc/93/75/47/879937547.db2.gz WUXFQAJPWOPUDT-SNVBAGLBSA-N -1 3 389.864 3.920 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cncc(-c4ccc(C)cc4)c3)nc21 ZINC000494139170 879942730 /nfs/dbraw/zinc/94/27/30/879942730.db2.gz ZLYXTOANYQTEAR-UHFFFAOYSA-N -1 3 386.411 3.972 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(N2CCCC2)ccn1 ZINC000452747834 879968157 /nfs/dbraw/zinc/96/81/57/879968157.db2.gz JCHBYQHNLQUEBE-UHFFFAOYSA-N -1 3 376.254 3.711 20 0 GHADHM CC(C)N(C(=O)CO[N-]C(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000112628375 880051416 /nfs/dbraw/zinc/05/14/16/880051416.db2.gz JHPKAXFMBJTHSC-UHFFFAOYSA-N -1 3 376.456 3.872 20 0 GHADHM CCc1c(C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)[nH]c(C)c1C(C)=O ZINC000112677304 880069382 /nfs/dbraw/zinc/06/93/82/880069382.db2.gz VAGPMDFMFGGBPV-UHFFFAOYSA-N -1 3 392.455 3.715 20 0 GHADHM O=C([N-]Cc1nnc(C2CC2)s1)C(F)(F)c1ccc(Br)cc1 ZINC000854944971 880166265 /nfs/dbraw/zinc/16/62/65/880166265.db2.gz FEOQPABNOJPCHA-UHFFFAOYSA-N -1 3 388.237 3.586 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000855037643 880233083 /nfs/dbraw/zinc/23/30/83/880233083.db2.gz SYAPFHODMHQROH-QWHCGFSZSA-N -1 3 380.510 3.632 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCOCC1)c1cc2sccc2c([O-])c1 ZINC000855121857 880281717 /nfs/dbraw/zinc/28/17/17/880281717.db2.gz GRXKBYJGAMBYMW-HXUWFJFHSA-N -1 3 397.496 3.867 20 0 GHADHM O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1[O-] ZINC000531685010 880316703 /nfs/dbraw/zinc/31/67/03/880316703.db2.gz JYUXKGUHNVFZNC-UHFFFAOYSA-N -1 3 394.221 3.681 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc3nc(N4CCCC4)sc3c2)c2ccccc21 ZINC000010174024 880441593 /nfs/dbraw/zinc/44/15/93/880441593.db2.gz FZCCMAIUPWFWAD-VBKFSLOCSA-N -1 3 390.468 3.620 20 0 GHADHM O=c1[n-]c(SCc2nc(-c3ccccc3Cl)cs2)nc2[nH]ncc21 ZINC000185317013 880541136 /nfs/dbraw/zinc/54/11/36/880541136.db2.gz WIWBGVJGNVHCKF-UHFFFAOYSA-N -1 3 375.866 3.715 20 0 GHADHM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C)cc3Br)cc12 ZINC000185567672 880619467 /nfs/dbraw/zinc/61/94/67/880619467.db2.gz WYEDQEHWQLKHRS-UHFFFAOYSA-N -1 3 396.266 3.657 20 0 GHADHM Cc1cc([C@@H]2CCN(C(=O)c3nnc4ccccc4c3[O-])C2)c(O)cc1Cl ZINC000856062902 880941168 /nfs/dbraw/zinc/94/11/68/880941168.db2.gz RNYXMODJKFRSQC-GFCCVEGCSA-N -1 3 383.835 3.633 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1-c1ccccc1 ZINC000186839770 881001553 /nfs/dbraw/zinc/00/15/53/881001553.db2.gz MIOCQMFRQGPHCN-INIZCTEOSA-N -1 3 397.500 3.803 20 0 GHADHM CSCc1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000532064380 881010528 /nfs/dbraw/zinc/01/05/28/881010528.db2.gz DWGSOJXLYUVVBX-UHFFFAOYSA-N -1 3 391.493 3.984 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC34CC4)ccc2C)cc1 ZINC000643330542 912635856 /nfs/dbraw/zinc/63/58/56/912635856.db2.gz FDZMWXUWRKPMPC-KRWDZBQOSA-N -1 3 386.473 3.543 20 0 GHADHM CCOc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(Cl)c1[O-] ZINC000192578056 881226396 /nfs/dbraw/zinc/22/63/96/881226396.db2.gz MRJCBFGRCZVBPQ-HNNXBMFYSA-N -1 3 378.856 3.604 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC000187590356 881239827 /nfs/dbraw/zinc/23/98/27/881239827.db2.gz RUAQVGQHSUDPAR-UHFFFAOYSA-N -1 3 394.667 3.887 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000919959307 881269853 /nfs/dbraw/zinc/26/98/53/881269853.db2.gz HOMQJQPJANDEJA-UHFFFAOYSA-N -1 3 392.477 3.787 20 0 GHADHM CN(C(=O)c1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1)C1CCCCC1 ZINC000666957888 883150643 /nfs/dbraw/zinc/15/06/43/883150643.db2.gz ISGPOLIPBKZVCP-UHFFFAOYSA-N -1 3 392.459 3.926 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1cnc(Cl)cn1 ZINC001129747386 883173737 /nfs/dbraw/zinc/17/37/37/883173737.db2.gz ZDUXQMQADJUSLN-UHFFFAOYSA-N -1 3 399.785 3.843 20 0 GHADHM COc1ccc2c(c1)CCC[C@]2(NCc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000551067972 883222530 /nfs/dbraw/zinc/22/25/30/883222530.db2.gz QUXHDBAITBMBBG-HSZRJFAPSA-N -1 3 381.472 3.815 20 0 GHADHM COc1cc(C(=O)[N-]c2ccc(Cl)cc2-c2nc(CC(C)C)no2)on1 ZINC000184004202 883297225 /nfs/dbraw/zinc/29/72/25/883297225.db2.gz ZEMURIGMWYZAFD-UHFFFAOYSA-N -1 3 376.800 3.837 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000183922399 883310129 /nfs/dbraw/zinc/31/01/29/883310129.db2.gz LLJQERWKXQSWGR-HXUWFJFHSA-N -1 3 389.879 3.863 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000175138641 883330017 /nfs/dbraw/zinc/33/00/17/883330017.db2.gz BPNAAPYJWMGIDP-UHFFFAOYSA-N -1 3 388.899 3.882 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000175170131 883352612 /nfs/dbraw/zinc/35/26/12/883352612.db2.gz ZFTRYMJFHFMKFD-OAHLLOKOSA-N -1 3 381.501 3.853 20 0 GHADHM COc1cc(F)cc2sc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)nc21 ZINC000747222408 883457942 /nfs/dbraw/zinc/45/79/42/883457942.db2.gz BFZINKWYCDCOOQ-UHFFFAOYSA-N -1 3 376.413 3.624 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCCC2)s1 ZINC000804951197 883484409 /nfs/dbraw/zinc/48/44/09/883484409.db2.gz QWEXSDGZXZCBNJ-QGZVFWFLSA-N -1 3 393.534 3.701 20 0 GHADHM O=C(c1ccc(Oc2ccc(Cl)cc2)c(F)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000476965031 883487716 /nfs/dbraw/zinc/48/77/16/883487716.db2.gz AGQJCLGSJGAJQZ-UHFFFAOYSA-N -1 3 399.809 3.966 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000064478170 883501671 /nfs/dbraw/zinc/50/16/71/883501671.db2.gz CQALEECPVKBUBM-GJZGRUSLSA-N -1 3 378.469 3.549 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)c1c(F)ccc(C(F)(F)F)c1Br ZINC000858987195 883522707 /nfs/dbraw/zinc/52/27/07/883522707.db2.gz OWJIHOJNNOAQOM-VIFPVBQESA-N -1 3 386.139 3.795 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)C)cc2)cc1C ZINC000116712577 883772853 /nfs/dbraw/zinc/77/28/53/883772853.db2.gz PCZLQLLAHFWJTD-UHFFFAOYSA-N -1 3 376.478 3.739 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc3cnccc32)c(F)cc1C ZINC000551390292 883787620 /nfs/dbraw/zinc/78/76/20/883787620.db2.gz WAGAZCGKBWHFIK-UHFFFAOYSA-N -1 3 388.420 3.660 20 0 GHADHM CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C(C)C ZINC000194414089 883809244 /nfs/dbraw/zinc/80/92/44/883809244.db2.gz VJMRHVZOXRKXQO-UHFFFAOYSA-N -1 3 390.505 3.675 20 0 GHADHM CN(C)C(=O)Sc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1Cl ZINC000805434194 883815679 /nfs/dbraw/zinc/81/56/79/883815679.db2.gz SWRFVSSFNQVRCW-UHFFFAOYSA-N -1 3 393.831 3.776 20 0 GHADHM CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000805417264 883831895 /nfs/dbraw/zinc/83/18/95/883831895.db2.gz NSMKRGLZPMVODA-AWEZNQCLSA-N -1 3 376.478 3.738 20 0 GHADHM O=c1cc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c2ccc([O-])cc2o1 ZINC000859501034 883854285 /nfs/dbraw/zinc/85/42/85/883854285.db2.gz YOSDFOPSMZNHIC-DNVCBOLYSA-N -1 3 391.345 3.523 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000129999493 884051143 /nfs/dbraw/zinc/05/11/43/884051143.db2.gz NHEIAOILESRJLF-ZDUSSCGKSA-N -1 3 382.338 3.637 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1 ZINC000859785049 884060376 /nfs/dbraw/zinc/06/03/76/884060376.db2.gz NHHXSDCSDJLMSD-SFHVURJKSA-N -1 3 385.460 3.805 20 0 GHADHM COc1cc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1SC ZINC000805789240 884073787 /nfs/dbraw/zinc/07/37/87/884073787.db2.gz ZAHUNXRSPKRQIP-MKBNYLNASA-N -1 3 390.471 3.695 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000476139249 884079625 /nfs/dbraw/zinc/07/96/25/884079625.db2.gz GEGFBSLAOXZZHF-ZDUSSCGKSA-N -1 3 382.313 3.542 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C)cn4ccnc34)nc(=O)c2c1C ZINC000859933875 884183533 /nfs/dbraw/zinc/18/35/33/884183533.db2.gz LNSXVGNTQSDFLH-LLVKDONJSA-N -1 3 382.445 3.888 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000025122666 884205883 /nfs/dbraw/zinc/20/58/83/884205883.db2.gz MFVYUZTXESDRNK-NSHDSACASA-N -1 3 376.334 3.918 20 0 GHADHM Cc1c(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nnn1-c1ccc(C)cc1 ZINC000476182917 884224514 /nfs/dbraw/zinc/22/45/14/884224514.db2.gz YRZUHYSXUMFABK-UHFFFAOYSA-N -1 3 390.365 3.790 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064374366 884235504 /nfs/dbraw/zinc/23/55/04/884235504.db2.gz HZXBEZCIIBFBKC-UHFFFAOYSA-N -1 3 399.454 3.800 20 0 GHADHM O=C(OCc1c(Cl)ccc(F)c1Cl)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000806011060 884269893 /nfs/dbraw/zinc/26/98/93/884269893.db2.gz BPYPVTIFYYRVLG-LHLIQPBNSA-N -1 3 388.144 3.633 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@@H]1C[C@@H]1C ZINC000556266581 884291008 /nfs/dbraw/zinc/29/10/08/884291008.db2.gz OTPULLGAEANYKT-ORAYPTAESA-N -1 3 376.453 3.696 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3oc4c(c3C)c(C)ccc4C)c2c1=O ZINC001183781285 912811578 /nfs/dbraw/zinc/81/15/78/912811578.db2.gz RAFVBBNPCVDBMW-UHFFFAOYSA-N -1 3 378.432 3.977 20 0 GHADHM C[C@H]1[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)CCN1c1ccccc1 ZINC000476327857 884400869 /nfs/dbraw/zinc/40/08/69/884400869.db2.gz PNYRAMSZWOKMEG-BBRMVZONSA-N -1 3 389.293 3.686 20 0 GHADHM CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029785595 884422825 /nfs/dbraw/zinc/42/28/25/884422825.db2.gz PRBYSCVANCPIBW-UHFFFAOYSA-N -1 3 394.468 3.554 20 0 GHADHM CSc1nc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n[n-]1 ZINC000495099161 884520764 /nfs/dbraw/zinc/52/07/64/884520764.db2.gz PSYLIAVYKHLFTQ-MRVPVSSYSA-N -1 3 379.898 3.848 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(OCC)c2)cc1C ZINC000032590647 884570710 /nfs/dbraw/zinc/57/07/10/884570710.db2.gz JUFTTYCWNASSBU-UHFFFAOYSA-N -1 3 379.478 3.992 20 0 GHADHM CC(C)Oc1cc(Br)ccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000102889572 884626936 /nfs/dbraw/zinc/62/69/36/884626936.db2.gz UGPBONBHGWZZSG-UHFFFAOYSA-N -1 3 393.163 3.626 20 0 GHADHM CC(C)Oc1cc(Br)ccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000102889572 884626953 /nfs/dbraw/zinc/62/69/53/884626953.db2.gz UGPBONBHGWZZSG-UHFFFAOYSA-N -1 3 393.163 3.626 20 0 GHADHM O=C([N-]c1cccc(F)c1F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000130423606 884645761 /nfs/dbraw/zinc/64/57/61/884645761.db2.gz KZXZIUZABVDOOD-UHFFFAOYSA-N -1 3 386.255 3.956 20 0 GHADHM Cc1ccc(Cc2cnc(NC=C3C(=O)[N-]C(=O)c4ccccc43)s2)cc1F ZINC000914744173 884682922 /nfs/dbraw/zinc/68/29/22/884682922.db2.gz INGTXVGPRBPOFX-BOPFTXTBSA-N -1 3 393.443 3.904 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1cnc(Cl)c(Cl)c1 ZINC000163390101 884685233 /nfs/dbraw/zinc/68/52/33/884685233.db2.gz GDSIPACKYGFIET-SWLSCSKDSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1cc(C)c(CCNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c(C)c1 ZINC000919047251 884803083 /nfs/dbraw/zinc/80/30/83/884803083.db2.gz TWWKTUKYHFNHBO-UHFFFAOYSA-N -1 3 383.275 3.762 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1NC(=O)OC(C)(C)C ZINC000154888920 884826456 /nfs/dbraw/zinc/82/64/56/884826456.db2.gz JAANXECWUHTIQS-UHFFFAOYSA-N -1 3 383.408 3.972 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000919061623 884830830 /nfs/dbraw/zinc/83/08/30/884830830.db2.gz CIKJCLUVRVSSJA-LBPRGKRZSA-N -1 3 387.823 3.700 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000919061623 884830844 /nfs/dbraw/zinc/83/08/44/884830844.db2.gz CIKJCLUVRVSSJA-LBPRGKRZSA-N -1 3 387.823 3.700 20 0 GHADHM CCN(C)S(=O)(=O)[N-]c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000475834429 884836042 /nfs/dbraw/zinc/83/60/42/884836042.db2.gz OIGGBPXZPVQAQN-UHFFFAOYSA-N -1 3 376.265 3.789 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)N=c2[n-]c3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000044742882 884939228 /nfs/dbraw/zinc/93/92/28/884939228.db2.gz JFECLLXQQOPBIE-UHFFFAOYSA-N -1 3 385.533 3.814 20 0 GHADHM CCCOc1ccc(Br)cc1CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263486589 884973933 /nfs/dbraw/zinc/97/39/33/884973933.db2.gz HMZVDFQKJTXLJE-KBXCAEBGSA-N -1 3 382.298 3.925 20 0 GHADHM Cc1c([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cnn1-c1ccc(F)cc1 ZINC000053462142 884978960 /nfs/dbraw/zinc/97/89/60/884978960.db2.gz CMJRSDXJVRCSJC-CYBMUJFWSA-N -1 3 390.418 3.652 20 0 GHADHM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1c1ccccc1 ZINC000533918862 885000276 /nfs/dbraw/zinc/00/02/76/885000276.db2.gz UGUMTJIIXZATHZ-JKSUJKDBSA-N -1 3 385.316 3.717 20 0 GHADHM CC(C)(F)CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000666425634 885017419 /nfs/dbraw/zinc/01/74/19/885017419.db2.gz YBAHYYFJOSUVKU-UHFFFAOYSA-N -1 3 385.867 3.544 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1c2ncsc2ccc1Cl ZINC001211915874 885152399 /nfs/dbraw/zinc/15/23/99/885152399.db2.gz LQUNBNKAQTZAMQ-LLVKDONJSA-N -1 3 386.926 3.577 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1c2ncsc2ccc1Cl ZINC001211915875 885152726 /nfs/dbraw/zinc/15/27/26/885152726.db2.gz LQUNBNKAQTZAMQ-NSHDSACASA-N -1 3 386.926 3.577 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC[C@H]3Cc3ccccc3)nc21 ZINC001127331589 885214064 /nfs/dbraw/zinc/21/40/64/885214064.db2.gz QZCUUPHPXDQJOR-JKSUJKDBSA-N -1 3 377.444 3.947 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000498673723 885246799 /nfs/dbraw/zinc/24/67/99/885246799.db2.gz FRRLUGYLOOTQPJ-UHFFFAOYSA-N -1 3 378.469 3.935 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCCCc3nc(-c4cccs4)no3)n[n-]2)o1 ZINC000919324879 885332883 /nfs/dbraw/zinc/33/28/83/885332883.db2.gz IYEJHXVGVGHWTA-UHFFFAOYSA-N -1 3 384.417 3.879 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCCCc3nc(-c4cccs4)no3)[n-]n2)o1 ZINC000919324879 885332901 /nfs/dbraw/zinc/33/29/01/885332901.db2.gz IYEJHXVGVGHWTA-UHFFFAOYSA-N -1 3 384.417 3.879 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104365467 885393990 /nfs/dbraw/zinc/39/39/90/885393990.db2.gz KFPWLYUIWYKRIE-UHFFFAOYSA-N -1 3 385.427 3.611 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104365467 885394013 /nfs/dbraw/zinc/39/40/13/885394013.db2.gz KFPWLYUIWYKRIE-UHFFFAOYSA-N -1 3 385.427 3.611 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118314763 885586462 /nfs/dbraw/zinc/58/64/62/885586462.db2.gz XLSOVTFLGZSWCH-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000861546917 885628795 /nfs/dbraw/zinc/62/87/95/885628795.db2.gz OHPSJSDOCMRLOX-ZWKOTPCHSA-N -1 3 396.487 3.834 20 0 GHADHM CN1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131224365 885681908 /nfs/dbraw/zinc/68/19/08/885681908.db2.gz JITGDPXIDBFOLS-WMZOPIPTSA-N -1 3 395.837 3.568 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Br)cc1Br ZINC000153469282 885767658 /nfs/dbraw/zinc/76/76/58/885767658.db2.gz OAXPCXPFYWYDHV-LLVKDONJSA-N -1 3 394.063 3.791 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Br)cc1Br ZINC000153469282 885767672 /nfs/dbraw/zinc/76/76/72/885767672.db2.gz OAXPCXPFYWYDHV-LLVKDONJSA-N -1 3 394.063 3.791 20 0 GHADHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000762292156 885940702 /nfs/dbraw/zinc/94/07/02/885940702.db2.gz RXKCBUVCSUXJTI-UHFFFAOYSA-N -1 3 381.325 3.651 20 0 GHADHM O=S(=O)([N-]Cc1ccco1)c1ccc(Br)cc1C(F)(F)F ZINC000055216079 886027320 /nfs/dbraw/zinc/02/73/20/886027320.db2.gz MLMIXOXMJSSFGK-UHFFFAOYSA-N -1 3 384.173 3.539 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)c(C)c1C ZINC000117229010 886043307 /nfs/dbraw/zinc/04/33/07/886043307.db2.gz JOEUBCRXNVBNCO-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CC(C)(C)OC(=O)N1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000862132912 886143451 /nfs/dbraw/zinc/14/34/51/886143451.db2.gz OSLKVDDVOOXECD-UHFFFAOYSA-N -1 3 385.258 3.543 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)cc1Cl ZINC000556823081 886243899 /nfs/dbraw/zinc/24/38/99/886243899.db2.gz NFFGIOVFLYEVHI-UHFFFAOYSA-N -1 3 388.892 3.685 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(C3CCC3)CC2)ccc1F ZINC001131240141 886245334 /nfs/dbraw/zinc/24/53/34/886245334.db2.gz KSWXWONXGUIMKT-UHFFFAOYSA-N -1 3 396.528 3.601 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c2[O-] ZINC000119166490 886450871 /nfs/dbraw/zinc/45/08/71/886450871.db2.gz MIIFMZDIBLSEMU-UHFFFAOYSA-N -1 3 391.258 3.786 20 0 GHADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119188622 886466358 /nfs/dbraw/zinc/46/63/58/886466358.db2.gz MSUYTQOOALAQJU-LLVKDONJSA-N -1 3 392.381 3.916 20 0 GHADHM COc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1[O-] ZINC000131706422 886475119 /nfs/dbraw/zinc/47/51/19/886475119.db2.gz CEMVOMVIHSHUEQ-UHFFFAOYSA-N -1 3 395.377 3.890 20 0 GHADHM O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000119136891 886486293 /nfs/dbraw/zinc/48/62/93/886486293.db2.gz HAKIKDDZUZQEFC-CYBMUJFWSA-N -1 3 386.280 3.593 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000808540592 886495424 /nfs/dbraw/zinc/49/54/24/886495424.db2.gz YCBZTZHTOCMZHT-UHFFFAOYSA-N -1 3 376.869 3.988 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCOc3ccccc3Cl)nc21 ZINC000532621917 886532048 /nfs/dbraw/zinc/53/20/48/886532048.db2.gz RTNXVVATYAYGHA-UHFFFAOYSA-N -1 3 387.823 3.801 20 0 GHADHM O=C(c1[n-]cnc1C(F)(F)F)N1CC2(CC2)c2ccc(Br)cc21 ZINC000862739022 886574184 /nfs/dbraw/zinc/57/41/84/886574184.db2.gz FCBXGGJMBXYLRU-UHFFFAOYSA-N -1 3 386.171 3.883 20 0 GHADHM O=C(c1nc[n-]c1C(F)(F)F)N1CC2(CC2)c2ccc(Br)cc21 ZINC000862739022 886574203 /nfs/dbraw/zinc/57/42/03/886574203.db2.gz FCBXGGJMBXYLRU-UHFFFAOYSA-N -1 3 386.171 3.883 20 0 GHADHM C[C@@H]1CCCN(CCOc2ccc(Cl)cc2Br)[C@@H]1C(=O)[O-] ZINC000235305974 886600409 /nfs/dbraw/zinc/60/04/09/886600409.db2.gz MNVPBRKMAYXXJR-YGRLFVJLSA-N -1 3 376.678 3.666 20 0 GHADHM COC(=O)c1cscc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000808640733 886626530 /nfs/dbraw/zinc/62/65/30/886626530.db2.gz BAXGNVXJLYSQLG-MRVPVSSYSA-N -1 3 392.458 3.780 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)n[n-]c21 ZINC000808673930 886670189 /nfs/dbraw/zinc/67/01/89/886670189.db2.gz XOWQWEOJMYRYMA-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)[n-]nc21 ZINC000808673930 886670194 /nfs/dbraw/zinc/67/01/94/886670194.db2.gz XOWQWEOJMYRYMA-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)n[n-]c21 ZINC000808675268 886670221 /nfs/dbraw/zinc/67/02/21/886670221.db2.gz AXKLRXVTPXZBJZ-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)[n-]nc21 ZINC000808675268 886670226 /nfs/dbraw/zinc/67/02/26/886670226.db2.gz AXKLRXVTPXZBJZ-NSHDSACASA-N -1 3 387.823 3.717 20 0 GHADHM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(Cl)c(Br)c1 ZINC000236101227 886811576 /nfs/dbraw/zinc/81/15/76/886811576.db2.gz ASMMOKBBQXBXQV-UHFFFAOYSA-N -1 3 380.613 3.723 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045020745 887021372 /nfs/dbraw/zinc/02/13/72/887021372.db2.gz LFFDCZMFXQCFEI-FQEVSTJZSA-N -1 3 393.487 3.544 20 0 GHADHM CCOc1cc(CN2CCCN(C(=O)c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000459310277 887253447 /nfs/dbraw/zinc/25/34/47/887253447.db2.gz USDDVAKQHIWZBI-UHFFFAOYSA-N -1 3 388.895 3.792 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c1Br ZINC000459315062 887258418 /nfs/dbraw/zinc/25/84/18/887258418.db2.gz WWOOGVJBKYXUBM-CQSZACIVSA-N -1 3 387.281 3.577 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000130233159 887405628 /nfs/dbraw/zinc/40/56/28/887405628.db2.gz BMXYNFHJZNAYSD-CQSZACIVSA-N -1 3 395.484 3.873 20 0 GHADHM CSc1cccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000153720269 887422919 /nfs/dbraw/zinc/42/29/19/887422919.db2.gz CYTGLETVGJBQEU-UHFFFAOYSA-N -1 3 380.469 3.791 20 0 GHADHM Cc1nc(C2(NCc3cc(=O)[n-]c(-c4ccccc4)n3)CCCCCC2)no1 ZINC000459353096 887606971 /nfs/dbraw/zinc/60/69/71/887606971.db2.gz MIMGRTYJJHWBPD-UHFFFAOYSA-N -1 3 379.464 3.880 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)cc1OC ZINC000794609282 887676352 /nfs/dbraw/zinc/67/63/52/887676352.db2.gz QSQUWEGKDOQSDO-CMDGGOBGSA-N -1 3 381.837 3.548 20 0 GHADHM CCOc1cc(CNc2cc(-c3cccs3)nn2CCO)cc(Cl)c1[O-] ZINC000459364671 887716069 /nfs/dbraw/zinc/71/60/69/887716069.db2.gz SZCRKOIYHQIQLP-UHFFFAOYSA-N -1 3 393.896 3.974 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)c(C)c1 ZINC000041116590 887727752 /nfs/dbraw/zinc/72/77/52/887727752.db2.gz HFKFGXGNSQVINO-UHFFFAOYSA-N -1 3 386.517 3.659 20 0 GHADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cscn1 ZINC000536625324 887742428 /nfs/dbraw/zinc/74/24/28/887742428.db2.gz GQLHMSQHDKAESG-CYBMUJFWSA-N -1 3 391.493 3.934 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(NC(C)=O)ccc3[O-])oc21 ZINC000055135489 888092091 /nfs/dbraw/zinc/09/20/91/888092091.db2.gz QPHNYWKSZOETRW-GFCCVEGCSA-N -1 3 382.416 3.987 20 0 GHADHM C[C@H](CC(=O)[N-]OCc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000763186229 888148721 /nfs/dbraw/zinc/14/87/21/888148721.db2.gz HARONHBFDWQVMU-SJLPKXTDSA-N -1 3 376.497 3.908 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810067583 888154761 /nfs/dbraw/zinc/15/47/61/888154761.db2.gz WSBQIGPNZZQJPM-GJZGRUSLSA-N -1 3 399.457 3.529 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000055420432 888162322 /nfs/dbraw/zinc/16/23/22/888162322.db2.gz RDOPCCGZCODWMN-UHFFFAOYSA-N -1 3 381.476 3.942 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000055643528 888223064 /nfs/dbraw/zinc/22/30/64/888223064.db2.gz JPZWMLJAAYVHLJ-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM CCc1cc(=O)[n-]c(CSCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000763212176 888307093 /nfs/dbraw/zinc/30/70/93/888307093.db2.gz WMHYRIWZHPUANS-UHFFFAOYSA-N -1 3 394.562 3.749 20 0 GHADHM Cc1nn(C)c(C)c1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000017532696 888307254 /nfs/dbraw/zinc/30/72/54/888307254.db2.gz JWQZVUJIXDCLQV-UHFFFAOYSA-N -1 3 392.485 3.502 20 0 GHADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1)O[C@@H](C)C2 ZINC000747599910 888307848 /nfs/dbraw/zinc/30/78/48/888307848.db2.gz AXTNUTDEQUSTCM-XEHSLEBBSA-N -1 3 377.437 3.960 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000763214258 888321505 /nfs/dbraw/zinc/32/15/05/888321505.db2.gz AKTCKKJKIOHLSM-JTQLQIEISA-N -1 3 386.304 3.908 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(=O)c2ccccc2[n-]1 ZINC000056016462 888333409 /nfs/dbraw/zinc/33/34/09/888333409.db2.gz XTHBMDGRIAIQRX-UHFFFAOYSA-N -1 3 389.386 3.785 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000056765621 888377392 /nfs/dbraw/zinc/37/73/92/888377392.db2.gz APJDRGHFGFCPRE-CQSZACIVSA-N -1 3 396.878 3.556 20 0 GHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000794883801 888672517 /nfs/dbraw/zinc/67/25/17/888672517.db2.gz JYPCOYSHZQNPFJ-HJWRWDBZSA-N -1 3 384.299 3.719 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)cc1 ZINC000747609835 888675689 /nfs/dbraw/zinc/67/56/89/888675689.db2.gz VFSRBODXIHIBEQ-GFCCVEGCSA-N -1 3 381.425 3.590 20 0 GHADHM COc1ncc(C)cc1[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000747617051 888700871 /nfs/dbraw/zinc/70/08/71/888700871.db2.gz MKEXQZLSBOBPLB-SREVYHEPSA-N -1 3 383.267 3.574 20 0 GHADHM CCCC1=NC(=S)N[C@@H](c2cc(Cl)c([O-])c(OCC)c2)C1C(=O)OCC ZINC000916190952 888827286 /nfs/dbraw/zinc/82/72/86/888827286.db2.gz GXZUXSCSIVPIHT-HNNXBMFYSA-N -1 3 398.912 3.580 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000866596980 888958994 /nfs/dbraw/zinc/95/89/94/888958994.db2.gz MFQZDKCZZJADJR-MSQAHXEGSA-N -1 3 376.884 3.515 20 0 GHADHM Cc1cccc(C(C)(C)C)c1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001184606025 913314843 /nfs/dbraw/zinc/31/48/43/913314843.db2.gz UNBMXEZTUFSANC-UHFFFAOYSA-N -1 3 395.503 3.988 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccccn3)n2Cc2ccco2)n1 ZINC000123746562 889385296 /nfs/dbraw/zinc/38/52/96/889385296.db2.gz MDDLSWJJTXHPRV-ZDUSSCGKSA-N -1 3 394.460 3.639 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N3CCCc4c(=O)[n-]cnc43)oc21 ZINC001132783626 889530539 /nfs/dbraw/zinc/53/05/39/889530539.db2.gz OUHHNSSDKSJXBZ-UHFFFAOYSA-N -1 3 388.221 3.592 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394005 889532637 /nfs/dbraw/zinc/53/26/37/889532637.db2.gz WMNSQLBBCRLFSW-UHFFFAOYSA-N -1 3 391.836 3.637 20 0 GHADHM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811393794 889534303 /nfs/dbraw/zinc/53/43/03/889534303.db2.gz SDAFMIFVYHEVDM-SNVBAGLBSA-N -1 3 392.864 3.753 20 0 GHADHM CC(=O)c1ccc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811393739 889534587 /nfs/dbraw/zinc/53/45/87/889534587.db2.gz QNBWPULKYRTTPD-UHFFFAOYSA-N -1 3 376.821 3.881 20 0 GHADHM COC(=O)CCCO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000811560520 889747583 /nfs/dbraw/zinc/74/75/83/889747583.db2.gz UWRNKIIFIMOVIZ-UHFFFAOYSA-N -1 3 398.434 3.908 20 0 GHADHM COc1ccc(-n2ccc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)n2)cc1 ZINC000125302406 889945814 /nfs/dbraw/zinc/94/58/14/889945814.db2.gz JONZXIWSYFXFSC-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM O=C(Cc1ccccc1I)Nc1cc(Cl)ccc1[O-] ZINC000533235302 890077627 /nfs/dbraw/zinc/07/76/27/890077627.db2.gz WGRXZMFSZLRCNT-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1Br ZINC000125699595 890085186 /nfs/dbraw/zinc/08/51/86/890085186.db2.gz CIJINSXPKBPPQE-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3c([O-])cccc3O)c2)cc1 ZINC000125706020 890089675 /nfs/dbraw/zinc/08/96/75/890089675.db2.gz RFGOTGCAUCSVDG-UHFFFAOYSA-N -1 3 376.412 3.589 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c(F)c1 ZINC000126057727 890354286 /nfs/dbraw/zinc/35/42/86/890354286.db2.gz YIRUBPFTIBXMMU-AWEZNQCLSA-N -1 3 376.384 3.873 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126115520 890373925 /nfs/dbraw/zinc/37/39/25/890373925.db2.gz FMWYKDKUYZMEHH-GFCCVEGCSA-N -1 3 375.266 3.984 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCc2ccccc2C1 ZINC000126289984 890457861 /nfs/dbraw/zinc/45/78/61/890457861.db2.gz SUHMKSFGVVVTQK-INIZCTEOSA-N -1 3 389.293 3.854 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000065832823 890674596 /nfs/dbraw/zinc/67/45/96/890674596.db2.gz XEJXOEHZMXIWGO-UHFFFAOYSA-N -1 3 381.469 3.877 20 0 GHADHM O=c1[n-]c(CNC2(c3noc(C(F)F)n3)CCC2)nc2c3ccccc3oc21 ZINC000644721913 913480452 /nfs/dbraw/zinc/48/04/52/913480452.db2.gz JNFODEXMFKTVBP-UHFFFAOYSA-N -1 3 387.346 3.571 20 0 GHADHM O=C(CCc1cccs1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314520 890747168 /nfs/dbraw/zinc/74/71/68/890747168.db2.gz NEXIAJITYNLINY-CYBMUJFWSA-N -1 3 396.434 3.880 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)[C@@H]2Cc3ccccc32)c2ccccc21)C(F)(F)F ZINC000871316183 890752031 /nfs/dbraw/zinc/75/20/31/890752031.db2.gz RJWAXAXTHKRNKL-WMLDXEAASA-N -1 3 388.389 3.525 20 0 GHADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000497325496 890862996 /nfs/dbraw/zinc/86/29/96/890862996.db2.gz DODJFKYYDVZUFY-QMMMGPOBSA-N -1 3 386.233 3.935 20 0 GHADHM CC(C)OCCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000812804973 891000471 /nfs/dbraw/zinc/00/04/71/891000471.db2.gz HIMMPKHHJABHIU-UHFFFAOYSA-N -1 3 397.450 3.694 20 0 GHADHM [O-]c1ccc(Nc2ncc(Br)nc2Br)c(F)c1F ZINC001211998044 891053761 /nfs/dbraw/zinc/05/37/61/891053761.db2.gz YAZSKEMUWMQFSB-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM C[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc([O-])c1F ZINC000872071016 891138287 /nfs/dbraw/zinc/13/82/87/891138287.db2.gz YPFQCTADGWAECF-WHEQGISXSA-N -1 3 397.450 3.607 20 0 GHADHM CCc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccnc2Cl)cs1 ZINC001184908948 913529346 /nfs/dbraw/zinc/52/93/46/913529346.db2.gz AWZTUSJTLLXWGI-UHFFFAOYSA-N -1 3 393.921 3.899 20 0 GHADHM COc1ccccc1-c1nc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)co1 ZINC000872161123 891185409 /nfs/dbraw/zinc/18/54/09/891185409.db2.gz SYIWJWGEKWLULP-QFIPXVFZSA-N -1 3 378.428 3.579 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCc1ccsc1 ZINC000825609652 891271037 /nfs/dbraw/zinc/27/10/37/891271037.db2.gz PKMORWQBDHQSRX-UHFFFAOYSA-N -1 3 392.868 3.909 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCc1ccsc1 ZINC000825609652 891271055 /nfs/dbraw/zinc/27/10/55/891271055.db2.gz PKMORWQBDHQSRX-UHFFFAOYSA-N -1 3 392.868 3.909 20 0 GHADHM Cn1ccnc1Sc1ncc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000128178921 891465335 /nfs/dbraw/zinc/46/53/35/891465335.db2.gz VMNSCSSOMSEQIY-UHFFFAOYSA-N -1 3 378.816 3.717 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n(C(CC)CC)n2)c1-c1nnn[n-]1 ZINC000825686968 891759714 /nfs/dbraw/zinc/75/97/14/891759714.db2.gz CQQMEBUNBCNTNN-UHFFFAOYSA-N -1 3 387.513 3.917 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)n(C(CC)CC)n2)c1-c1nn[n-]n1 ZINC000825686968 891759717 /nfs/dbraw/zinc/75/97/17/891759717.db2.gz CQQMEBUNBCNTNN-UHFFFAOYSA-N -1 3 387.513 3.917 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCCCCC3)c2)c1 ZINC000030016905 891763537 /nfs/dbraw/zinc/76/35/37/891763537.db2.gz UVNVBWFQBLGGEY-UHFFFAOYSA-N -1 3 398.459 3.678 20 0 GHADHM Cc1ccc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)c(C)c1 ZINC000497555761 891856481 /nfs/dbraw/zinc/85/64/81/891856481.db2.gz DECMEEKWQDXCGO-UHFFFAOYSA-N -1 3 376.459 3.676 20 0 GHADHM Cc1c(NC(=O)c2cc3sccc3c([O-])c2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000813851200 892022479 /nfs/dbraw/zinc/02/24/79/892022479.db2.gz FMJGZHOAKMFDRK-NSHDSACASA-N -1 3 395.440 3.612 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1nc(Cl)c(Cl)nc1Cl ZINC001185098685 913636372 /nfs/dbraw/zinc/63/63/72/913636372.db2.gz LFDABIVNVPNQNW-UHFFFAOYSA-N -1 3 388.610 3.657 20 0 GHADHM NC(=O)c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(Cl)cc1Cl ZINC001272120368 892211049 /nfs/dbraw/zinc/21/10/49/892211049.db2.gz KAEZYENEFOUNCD-UHFFFAOYSA-N -1 3 381.112 3.901 20 0 GHADHM CC(C)Oc1ccc(CC[C@H](C)NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000917604744 892273915 /nfs/dbraw/zinc/27/39/15/892273915.db2.gz XYXHYONHTJFGFE-AKGOGDBKSA-N -1 3 378.472 3.696 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000125172867 892350572 /nfs/dbraw/zinc/35/05/72/892350572.db2.gz OZWIXQDARMQRIX-AWEZNQCLSA-N -1 3 397.500 3.974 20 0 GHADHM COc1ccccc1[C@@H]1CSCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000874926550 892378808 /nfs/dbraw/zinc/37/88/08/892378808.db2.gz MENFXPPQWBJNKM-IBGZPJMESA-N -1 3 394.496 3.857 20 0 GHADHM CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1OC(F)F ZINC000874928026 892379332 /nfs/dbraw/zinc/37/93/32/892379332.db2.gz OGUKJIRBYOPAHS-WEVVVXLNSA-N -1 3 394.193 3.773 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCN(C)c3ccccc3)nc2)n1 ZINC000068669758 892534788 /nfs/dbraw/zinc/53/47/88/892534788.db2.gz VHIPGOIFKOFJIG-UHFFFAOYSA-N -1 3 377.492 3.723 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000263397024 892548046 /nfs/dbraw/zinc/54/80/46/892548046.db2.gz ZNFWLRNABNJSKH-ATZDWAIDSA-N -1 3 377.444 3.869 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)c1C1CC1 ZINC000162527930 892650948 /nfs/dbraw/zinc/65/09/48/892650948.db2.gz LIBIZATUQUUNHX-NSHDSACASA-N -1 3 381.436 3.647 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1c(Cl)nc2ccccn21 ZINC000917905356 892776824 /nfs/dbraw/zinc/77/68/24/892776824.db2.gz GRWMRTIQZBZXGB-LBPRGKRZSA-N -1 3 389.786 3.570 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1ccc(Cl)nc1C(F)(F)F ZINC000876003513 892900336 /nfs/dbraw/zinc/90/03/36/892900336.db2.gz OGWKEGCPWZQYRI-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1)c1ccc(Br)cc1C(F)(F)F ZINC000615121388 892969897 /nfs/dbraw/zinc/96/98/97/892969897.db2.gz JVVQZEZSSIOWNJ-UHFFFAOYSA-N -1 3 394.212 3.946 20 0 GHADHM O=C1[C@H](NCc2cccc([O-])c2Cl)CCN1c1ccccc1C(F)(F)F ZINC000645171791 913724809 /nfs/dbraw/zinc/72/48/09/913724809.db2.gz GVUOPYQDNNNPOP-CYBMUJFWSA-N -1 3 384.785 3.960 20 0 GHADHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(SC)ccc2[O-])n1 ZINC001137105666 893111796 /nfs/dbraw/zinc/11/17/96/893111796.db2.gz DLHKKHKUZHYMMQ-NSHDSACASA-N -1 3 385.445 3.664 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCc3c2cccc3Br)cc(OC)c1[O-] ZINC000162781415 893136859 /nfs/dbraw/zinc/13/68/59/893136859.db2.gz KVDHTVHOWPJXEZ-AWEZNQCLSA-N -1 3 392.249 3.589 20 0 GHADHM O=S(=O)([N-]c1ccccc1CN1CCCC1)c1ccc(-c2cnco2)cc1 ZINC001185222289 913737683 /nfs/dbraw/zinc/73/76/83/913737683.db2.gz PPKGGUNPQSIGAW-UHFFFAOYSA-N -1 3 383.473 3.738 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(-c4cnco4)cc3)cccc21 ZINC001185229250 913742882 /nfs/dbraw/zinc/74/28/82/913742882.db2.gz IPXXMKVXDPZITR-GOSISDBHSA-N -1 3 399.472 3.528 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000288407953 913758159 /nfs/dbraw/zinc/75/81/59/913758159.db2.gz WUCAACBKNGLIRG-UHFFFAOYSA-N -1 3 395.434 3.991 20 0 GHADHM C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cccc([O-])c3Cl)cc2)C1=O ZINC000815138895 893512790 /nfs/dbraw/zinc/51/27/90/893512790.db2.gz KTONMGCGKRPAJW-NRFANRHFSA-N -1 3 399.878 3.560 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)[n-]1 ZINC000815196361 893545150 /nfs/dbraw/zinc/54/51/50/893545150.db2.gz OUZPSWCTEFBQRD-CQSZACIVSA-N -1 3 391.427 3.545 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ncoc3-c3ccc(C)cc3)nc21 ZINC001134940682 893646837 /nfs/dbraw/zinc/64/68/37/893646837.db2.gz LKGRQPBUGBNOGP-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM O=C(c1ccc(CN2CCCCC2)o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000934705814 893835912 /nfs/dbraw/zinc/83/59/12/893835912.db2.gz YTGUMXUYWFDTEB-UHFFFAOYSA-N -1 3 396.487 3.706 20 0 GHADHM CC(C)C[C@@H](N)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000563625172 893986232 /nfs/dbraw/zinc/98/62/32/893986232.db2.gz VKRFSWSTXYTYKY-QGZVFWFLSA-N -1 3 386.477 3.583 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2cc(Cl)ccc2[O-])CCOCC1 ZINC000935017082 894120608 /nfs/dbraw/zinc/12/06/08/894120608.db2.gz OHNXXCXHKNWNQM-GFCCVEGCSA-N -1 3 398.887 3.694 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000127068462 894219027 /nfs/dbraw/zinc/21/90/27/894219027.db2.gz ABCSYSBPVPRRDP-UHFFFAOYSA-N -1 3 399.397 3.875 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000563822684 894231913 /nfs/dbraw/zinc/23/19/13/894231913.db2.gz LMSWQQXDIUIFFN-CQSZACIVSA-N -1 3 390.443 3.525 20 0 GHADHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185425493 913851784 /nfs/dbraw/zinc/85/17/84/913851784.db2.gz UAYZTBHCLKXFOV-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000127145572 894322428 /nfs/dbraw/zinc/32/24/28/894322428.db2.gz GIVPHAHYKJSRTE-CQSZACIVSA-N -1 3 394.487 3.821 20 0 GHADHM Cc1ccc(CNC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC001185407173 913870667 /nfs/dbraw/zinc/87/06/67/913870667.db2.gz UDZKRPKPCUZCJP-UHFFFAOYSA-N -1 3 382.201 3.627 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)o1 ZINC000878759473 894584670 /nfs/dbraw/zinc/58/46/70/894584670.db2.gz ADCBWWOALBJEFL-LJQANCHMSA-N -1 3 379.460 3.605 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCO1 ZINC000778366648 894673492 /nfs/dbraw/zinc/67/34/92/894673492.db2.gz ZSMOQXQYYVAZMF-NEPJUHHUSA-N -1 3 379.254 3.811 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([O-])ccc1Cl ZINC000564261783 894786252 /nfs/dbraw/zinc/78/62/52/894786252.db2.gz WETIRIGVMZSQNR-OAHLLOKOSA-N -1 3 399.661 3.888 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000023345563 895083369 /nfs/dbraw/zinc/08/33/69/895083369.db2.gz XNCLBXVRYMQUDI-UHFFFAOYSA-N -1 3 384.335 3.924 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc(C)cc2C)c(C)c1Cl ZINC001185569415 913960740 /nfs/dbraw/zinc/96/07/40/913960740.db2.gz OYNXXCKFZYXTDT-UHFFFAOYSA-N -1 3 387.910 3.592 20 0 GHADHM COc1ccc2nc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)sc2c1 ZINC001135919085 895644120 /nfs/dbraw/zinc/64/41/20/895644120.db2.gz ULJKYKSVBVKYCV-UHFFFAOYSA-N -1 3 387.367 3.677 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001136178734 896334300 /nfs/dbraw/zinc/33/43/00/896334300.db2.gz GXPMZDAQYXNWFL-NSHDSACASA-N -1 3 384.860 3.684 20 0 GHADHM CCc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c([O-])c1 ZINC001136187190 896371370 /nfs/dbraw/zinc/37/13/70/896371370.db2.gz ONKSBTYGZCPYGJ-UHFFFAOYSA-N -1 3 388.895 3.575 20 0 GHADHM CS[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224565 896481489 /nfs/dbraw/zinc/48/14/89/896481489.db2.gz HXWWHKUFBNIKDB-KBPBESRZSA-N -1 3 381.505 3.853 20 0 GHADHM CS[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224565 896481493 /nfs/dbraw/zinc/48/14/93/896481493.db2.gz HXWWHKUFBNIKDB-KBPBESRZSA-N -1 3 381.505 3.853 20 0 GHADHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)cn1 ZINC000881885681 896567812 /nfs/dbraw/zinc/56/78/12/896567812.db2.gz NZSKOBCPZDJTJB-VIFPVBQESA-N -1 3 396.822 3.571 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826239304 896593869 /nfs/dbraw/zinc/59/38/69/896593869.db2.gz CAXCVBHMTXCZKL-NSHDSACASA-N -1 3 399.669 3.676 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H](O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826239304 896593881 /nfs/dbraw/zinc/59/38/81/896593881.db2.gz CAXCVBHMTXCZKL-NSHDSACASA-N -1 3 399.669 3.676 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CC2)cn1 ZINC000826285768 896924460 /nfs/dbraw/zinc/92/44/60/896924460.db2.gz JLLCEUNDKJPMGQ-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CC2)cn1 ZINC000826285768 896924466 /nfs/dbraw/zinc/92/44/66/896924466.db2.gz JLLCEUNDKJPMGQ-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1c(C)noc1C ZINC000567224778 896985127 /nfs/dbraw/zinc/98/51/27/896985127.db2.gz XQIYQENYLWUTGA-NSHDSACASA-N -1 3 396.362 3.759 20 0 GHADHM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC001136271350 896998924 /nfs/dbraw/zinc/99/89/24/896998924.db2.gz UTTGYOHVPNJJTL-SFHVURJKSA-N -1 3 393.418 3.749 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820031894 897124718 /nfs/dbraw/zinc/12/47/18/897124718.db2.gz JKKNNUZVWNZAQD-GOSISDBHSA-N -1 3 382.443 3.545 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820031894 897124727 /nfs/dbraw/zinc/12/47/27/897124727.db2.gz JKKNNUZVWNZAQD-GOSISDBHSA-N -1 3 382.443 3.545 20 0 GHADHM O=C(Nc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccsc1 ZINC000820219673 897247185 /nfs/dbraw/zinc/24/71/85/897247185.db2.gz ZNFCGYZLRUEJOZ-UHFFFAOYSA-N -1 3 378.413 3.835 20 0 GHADHM C[C@H](N(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1(C)CC1 ZINC000820308790 897259635 /nfs/dbraw/zinc/25/96/35/897259635.db2.gz YJKFEAZBHJUFID-ZDUSSCGKSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Sc1ccccc1 ZINC000820269736 897263910 /nfs/dbraw/zinc/26/39/10/897263910.db2.gz PBGQHHBWMHJROX-NSHDSACASA-N -1 3 388.884 3.822 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Sc1ccccc1 ZINC000820269736 897263924 /nfs/dbraw/zinc/26/39/24/897263924.db2.gz PBGQHHBWMHJROX-NSHDSACASA-N -1 3 388.884 3.822 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)OC)cc2)c(C)c1 ZINC000567656934 897316168 /nfs/dbraw/zinc/31/61/68/897316168.db2.gz XERDPGNBDFGVGF-UHFFFAOYSA-N -1 3 391.489 3.645 20 0 GHADHM Cc1ccccc1CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826306735 897377151 /nfs/dbraw/zinc/37/71/51/897377151.db2.gz JOYPCSNXWOMNGS-UHFFFAOYSA-N -1 3 383.455 3.701 20 0 GHADHM Cc1ccccc1CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826306735 897377165 /nfs/dbraw/zinc/37/71/65/897377165.db2.gz JOYPCSNXWOMNGS-UHFFFAOYSA-N -1 3 383.455 3.701 20 0 GHADHM CC(C)(C)c1nnc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)s1 ZINC001136359511 897433452 /nfs/dbraw/zinc/43/34/52/897433452.db2.gz KXACKFKINZVXSM-UHFFFAOYSA-N -1 3 384.461 3.773 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)C(F)F)CC3)c2c1 ZINC000567978586 897518691 /nfs/dbraw/zinc/51/86/91/897518691.db2.gz LGONEVZQEBBBGU-UHFFFAOYSA-N -1 3 399.388 3.572 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccncc2)C1)c1cccc(Cl)c1Cl ZINC000568028569 897543665 /nfs/dbraw/zinc/54/36/65/897543665.db2.gz OPWYGFOIBCXRLP-JSGCOSHPSA-N -1 3 387.288 3.587 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)c1 ZINC000820798388 897556675 /nfs/dbraw/zinc/55/66/75/897556675.db2.gz MUHMQQRFJNJGMX-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)sc1C ZINC000826327158 897632598 /nfs/dbraw/zinc/63/25/98/897632598.db2.gz VDEVTXGCTFVLHF-VIFPVBQESA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)sc1C ZINC000826327158 897632608 /nfs/dbraw/zinc/63/26/08/897632608.db2.gz VDEVTXGCTFVLHF-VIFPVBQESA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc([C@H]2CCCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C2)sc1C ZINC000826325264 897645988 /nfs/dbraw/zinc/64/59/88/897645988.db2.gz SIIMLMPKFLXSMQ-LBPRGKRZSA-N -1 3 389.916 3.681 20 0 GHADHM Cc1nc([C@H]2CCCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C2)sc1C ZINC000826325264 897645994 /nfs/dbraw/zinc/64/59/94/897645994.db2.gz SIIMLMPKFLXSMQ-LBPRGKRZSA-N -1 3 389.916 3.681 20 0 GHADHM CC(C)c1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)n(Cc2ccccc2)n1 ZINC000568236771 897691146 /nfs/dbraw/zinc/69/11/46/897691146.db2.gz UIKJKOUJCVTOMU-UHFFFAOYSA-N -1 3 377.448 3.680 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1)C(C)C ZINC000132241654 897733967 /nfs/dbraw/zinc/73/39/67/897733967.db2.gz KUYHVGQZOSZZGP-UHFFFAOYSA-N -1 3 393.484 3.820 20 0 GHADHM Cc1nnc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826335468 897763739 /nfs/dbraw/zinc/76/37/39/897763739.db2.gz OGOOQUHTXCFFNP-GFCCVEGCSA-N -1 3 377.477 3.544 20 0 GHADHM Cc1nnc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826335468 897763755 /nfs/dbraw/zinc/76/37/55/897763755.db2.gz OGOOQUHTXCFFNP-GFCCVEGCSA-N -1 3 377.477 3.544 20 0 GHADHM COc1ccc([C@@H](NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)C2CC2)cc1 ZINC000028752418 897884433 /nfs/dbraw/zinc/88/44/33/897884433.db2.gz CDBBIHVGHHKXNU-INIZCTEOSA-N -1 3 397.258 3.754 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001275483370 914208115 /nfs/dbraw/zinc/20/81/15/914208115.db2.gz LTBOMCYQFLVXEU-UHFFFAOYSA-N -1 3 383.427 3.845 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001275483370 914208122 /nfs/dbraw/zinc/20/81/22/914208122.db2.gz LTBOMCYQFLVXEU-UHFFFAOYSA-N -1 3 383.427 3.845 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(Br)cnc2Cl)s1 ZINC000101650428 897952192 /nfs/dbraw/zinc/95/21/92/897952192.db2.gz PDRNTSIEERUVNN-UHFFFAOYSA-N -1 3 375.679 3.899 20 0 GHADHM Cc1cc(F)ncc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185929639 914209703 /nfs/dbraw/zinc/20/97/03/914209703.db2.gz JMWCGYMHHSSNCT-UHFFFAOYSA-N -1 3 387.455 3.944 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289497298 914212386 /nfs/dbraw/zinc/21/23/86/914212386.db2.gz PQIZDIDBMPKGJW-HUUCEWRRSA-N -1 3 399.457 3.528 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821755541 898053739 /nfs/dbraw/zinc/05/37/39/898053739.db2.gz HGRVWQUODKGSAE-SECBINFHSA-N -1 3 392.246 3.924 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821755541 898053748 /nfs/dbraw/zinc/05/37/48/898053748.db2.gz HGRVWQUODKGSAE-SECBINFHSA-N -1 3 392.246 3.924 20 0 GHADHM C=C/C=C/CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000883912871 898158430 /nfs/dbraw/zinc/15/84/30/898158430.db2.gz FILFIHFCKZSMLV-ONEGZZNKSA-N -1 3 377.872 3.538 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(N2CCCCC2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000778669762 898182620 /nfs/dbraw/zinc/18/26/20/898182620.db2.gz KLVOLIANGWBIMW-UHFFFAOYSA-N -1 3 394.443 3.691 20 0 GHADHM CCc1oc(C(=O)[N-]c2cc(F)c(Br)cc2F)cc1C(=O)OC ZINC000569006445 898270248 /nfs/dbraw/zinc/27/02/48/898270248.db2.gz TZRHNYLCNOKUTO-UHFFFAOYSA-N -1 3 388.164 3.922 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000569274570 898495332 /nfs/dbraw/zinc/49/53/32/898495332.db2.gz LJBLRFAWGAITCE-RYUDHWBXSA-N -1 3 399.406 3.596 20 0 GHADHM CC(C)(C)c1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1 ZINC001186030018 914262619 /nfs/dbraw/zinc/26/26/19/914262619.db2.gz GWVOFTRKGGBISW-IBGZPJMESA-N -1 3 377.488 3.893 20 0 GHADHM CCCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1cccc(C)c1 ZINC000155331671 898640975 /nfs/dbraw/zinc/64/09/75/898640975.db2.gz VSBOCCWOTWKUDL-UHFFFAOYSA-N -1 3 386.443 3.824 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822945326 898742273 /nfs/dbraw/zinc/74/22/73/898742273.db2.gz BFDOBLYLCOCLNE-UPHRSURJSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(C/C=C\c1ccc(F)cc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822945326 898742285 /nfs/dbraw/zinc/74/22/85/898742285.db2.gz BFDOBLYLCOCLNE-UPHRSURJSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822945325 898742624 /nfs/dbraw/zinc/74/26/24/898742624.db2.gz BFDOBLYLCOCLNE-OWOJBTEDSA-N -1 3 377.423 3.600 20 0 GHADHM O=C(C/C=C/c1ccc(F)cc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822945325 898742635 /nfs/dbraw/zinc/74/26/35/898742635.db2.gz BFDOBLYLCOCLNE-OWOJBTEDSA-N -1 3 377.423 3.600 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(Br)c1 ZINC000569645002 898844173 /nfs/dbraw/zinc/84/41/73/898844173.db2.gz TVXQLIYMCSISKJ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(O[C@@H]1CCCCC1=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823393598 899007364 /nfs/dbraw/zinc/00/73/64/899007364.db2.gz ZYQFYHZPDVPBJJ-QGZVFWFLSA-N -1 3 394.456 3.686 20 0 GHADHM O=C(O[C@@H]1CCCCC1=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823393598 899007381 /nfs/dbraw/zinc/00/73/81/899007381.db2.gz ZYQFYHZPDVPBJJ-QGZVFWFLSA-N -1 3 394.456 3.686 20 0 GHADHM O=C1OC(c2ccc(Cl)c(Cl)c2)=NC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823546726 899104184 /nfs/dbraw/zinc/10/41/84/899104184.db2.gz FCGDUSLNIIVYFT-WDZFZDKYSA-N -1 3 392.227 3.580 20 0 GHADHM c1c2c(nc(SCc3noc(C4CCCCC4)n3)c1-c1nnn[n-]1)CCCC2 ZINC000823737993 899211120 /nfs/dbraw/zinc/21/11/20/899211120.db2.gz MJOGSRAZGAMGGT-UHFFFAOYSA-N -1 3 397.508 3.864 20 0 GHADHM c1c2c(nc(SCc3noc(C4CCCCC4)n3)c1-c1nn[n-]n1)CCCC2 ZINC000823737993 899211134 /nfs/dbraw/zinc/21/11/34/899211134.db2.gz MJOGSRAZGAMGGT-UHFFFAOYSA-N -1 3 397.508 3.864 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C ZINC000884187336 899281754 /nfs/dbraw/zinc/28/17/54/899281754.db2.gz BHKZSDOLZBXGHS-JOYOIKCWSA-N -1 3 396.734 3.968 20 0 GHADHM CCC[C@@H](OC)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000570483261 899337363 /nfs/dbraw/zinc/33/73/63/899337363.db2.gz QIIYHORSBIROKH-LLVKDONJSA-N -1 3 378.230 3.772 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3CF)c2)cc1 ZINC000570542511 899373459 /nfs/dbraw/zinc/37/34/59/899373459.db2.gz QAMMRZFQEMXMAY-KRWDZBQOSA-N -1 3 390.480 3.678 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1F ZINC000332099334 899399087 /nfs/dbraw/zinc/39/90/87/899399087.db2.gz DOUGRBUHLHNUTN-UHFFFAOYSA-N -1 3 384.451 3.561 20 0 GHADHM CC[C@H](C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccc(Br)cc1 ZINC000824151242 899428355 /nfs/dbraw/zinc/42/83/55/899428355.db2.gz WSRDVJVHEUGTKW-AWEZNQCLSA-N -1 3 392.297 3.798 20 0 GHADHM CCc1cc2c(CC(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)csc2s1 ZINC000824154185 899431275 /nfs/dbraw/zinc/43/12/75/899431275.db2.gz IRAIHFHHXFAFNF-UHFFFAOYSA-N -1 3 375.519 3.923 20 0 GHADHM O=C(NCC1(C2CCC2)CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570657904 899478570 /nfs/dbraw/zinc/47/85/70/899478570.db2.gz QSOXGJONGBRCOR-UHFFFAOYSA-N -1 3 389.293 3.991 20 0 GHADHM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000824347516 899545195 /nfs/dbraw/zinc/54/51/95/899545195.db2.gz BXUFXTOSNSRBAB-GOSISDBHSA-N -1 3 378.480 3.696 20 0 GHADHM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000824347516 899545203 /nfs/dbraw/zinc/54/52/03/899545203.db2.gz BXUFXTOSNSRBAB-GOSISDBHSA-N -1 3 378.480 3.696 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472420 899617902 /nfs/dbraw/zinc/61/79/02/899617902.db2.gz WBGOXHSDXJNIOS-FZKQIMNGSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472420 899617910 /nfs/dbraw/zinc/61/79/10/899617910.db2.gz WBGOXHSDXJNIOS-FZKQIMNGSA-N -1 3 379.489 3.607 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478949 899623621 /nfs/dbraw/zinc/62/36/21/899623621.db2.gz KOOVWWLUWAJKJZ-OAHLLOKOSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478949 899623634 /nfs/dbraw/zinc/62/36/34/899623634.db2.gz KOOVWWLUWAJKJZ-OAHLLOKOSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480530 899626733 /nfs/dbraw/zinc/62/67/33/899626733.db2.gz XVYYMJMYOJHASD-JKSUJKDBSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480530 899626735 /nfs/dbraw/zinc/62/67/35/899626735.db2.gz XVYYMJMYOJHASD-JKSUJKDBSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)c1cccc(O)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522683 899658454 /nfs/dbraw/zinc/65/84/54/899658454.db2.gz UDXIMYIYBMPJIJ-AWEZNQCLSA-N -1 3 385.427 3.730 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C(F)(F)F)CC3)cc2)cc(=O)[n-]1 ZINC000332471885 899693708 /nfs/dbraw/zinc/69/37/08/899693708.db2.gz MLLBCMWXSJQTQW-UHFFFAOYSA-N -1 3 380.370 3.964 20 0 GHADHM O=C(C=C1CCCCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826399842 899713276 /nfs/dbraw/zinc/71/32/76/899713276.db2.gz HNUXDZNSKAUHCI-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM O=C(C=C1CCCCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826399842 899713279 /nfs/dbraw/zinc/71/32/79/899713279.db2.gz HNUXDZNSKAUHCI-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824707123 899778016 /nfs/dbraw/zinc/77/80/16/899778016.db2.gz NSXSDODAQIBMPT-VFZGTOFNSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824707123 899778022 /nfs/dbraw/zinc/77/80/22/899778022.db2.gz NSXSDODAQIBMPT-VFZGTOFNSA-N -1 3 393.230 3.511 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826401643 899799779 /nfs/dbraw/zinc/79/97/79/899799779.db2.gz CXZHEDPNKKPVOH-SXSDINLZSA-N -1 3 395.850 3.563 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826401643 899799791 /nfs/dbraw/zinc/79/97/91/899799791.db2.gz CXZHEDPNKKPVOH-SXSDINLZSA-N -1 3 395.850 3.563 20 0 GHADHM C[C@@H]1CC(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)C[C@@H](C)O1 ZINC000332622470 899806432 /nfs/dbraw/zinc/80/64/32/899806432.db2.gz CRMUEWLILOVYTG-NXEZZACHSA-N -1 3 396.260 3.542 20 0 GHADHM CC1(C)CCC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000824801977 899815746 /nfs/dbraw/zinc/81/57/46/899815746.db2.gz IUZOHHCYSCVHOX-OAHLLOKOSA-N -1 3 395.429 3.974 20 0 GHADHM CC1(C)CCC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000824801977 899815754 /nfs/dbraw/zinc/81/57/54/899815754.db2.gz IUZOHHCYSCVHOX-OAHLLOKOSA-N -1 3 395.429 3.974 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826403917 899836550 /nfs/dbraw/zinc/83/65/50/899836550.db2.gz IGPMWJOUJGFTGE-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826403917 899836556 /nfs/dbraw/zinc/83/65/56/899836556.db2.gz IGPMWJOUJGFTGE-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824865318 899844983 /nfs/dbraw/zinc/84/49/83/899844983.db2.gz HLHNCJUXFWFOFZ-SMDDNHRTSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824865318 899844991 /nfs/dbraw/zinc/84/49/91/899844991.db2.gz HLHNCJUXFWFOFZ-SMDDNHRTSA-N -1 3 381.461 3.539 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824869196 899877098 /nfs/dbraw/zinc/87/70/98/899877098.db2.gz YZGGFVZAPUYYFE-SIFCLUCFSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824869196 899877102 /nfs/dbraw/zinc/87/71/02/899877102.db2.gz YZGGFVZAPUYYFE-SIFCLUCFSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868178 899877178 /nfs/dbraw/zinc/87/71/78/899877178.db2.gz TWNMAUHOHFQFQG-BFUOFWGJSA-N -1 3 392.415 3.570 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868178 899877183 /nfs/dbraw/zinc/87/71/83/899877183.db2.gz TWNMAUHOHFQFQG-BFUOFWGJSA-N -1 3 392.415 3.570 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332929698 899879587 /nfs/dbraw/zinc/87/95/87/899879587.db2.gz RCLHJCBXANMXOG-UHFFFAOYSA-N -1 3 395.684 3.864 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824936089 899897796 /nfs/dbraw/zinc/89/77/96/899897796.db2.gz DSHKSSJDHRENSW-DAXOMENPSA-N -1 3 383.418 3.655 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824936089 899897803 /nfs/dbraw/zinc/89/78/03/899897803.db2.gz DSHKSSJDHRENSW-DAXOMENPSA-N -1 3 383.418 3.655 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000824945867 899901287 /nfs/dbraw/zinc/90/12/87/899901287.db2.gz GSSZQQOMJKQIQC-NSHDSACASA-N -1 3 399.442 3.625 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000824945867 899901293 /nfs/dbraw/zinc/90/12/93/899901293.db2.gz GSSZQQOMJKQIQC-NSHDSACASA-N -1 3 399.442 3.625 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000825082640 899967878 /nfs/dbraw/zinc/96/78/78/899967878.db2.gz UEFXEJAMAAUAOS-CYBMUJFWSA-N -1 3 394.483 3.539 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000825082640 899967885 /nfs/dbraw/zinc/96/78/85/899967885.db2.gz UEFXEJAMAAUAOS-CYBMUJFWSA-N -1 3 394.483 3.539 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000825148095 900004796 /nfs/dbraw/zinc/00/47/96/900004796.db2.gz OIOACGRKULXFBV-IBGZPJMESA-N -1 3 396.470 3.530 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000825148095 900004805 /nfs/dbraw/zinc/00/48/05/900004805.db2.gz OIOACGRKULXFBV-IBGZPJMESA-N -1 3 396.470 3.530 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c1[O-] ZINC000571913231 900005398 /nfs/dbraw/zinc/00/53/98/900005398.db2.gz IZTDIGRTNKGFKJ-UHFFFAOYSA-N -1 3 382.395 3.690 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@@H](c4nncn4C4CC4)C3)c2c1 ZINC000572003740 900033994 /nfs/dbraw/zinc/03/39/94/900033994.db2.gz RAFQDFOACZVAQR-OAHLLOKOSA-N -1 3 391.475 3.860 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC[C@H](c4nncn4C4CC4)C3)c2c1 ZINC000572003734 900034223 /nfs/dbraw/zinc/03/42/23/900034223.db2.gz RAFQDFOACZVAQR-HNNXBMFYSA-N -1 3 391.475 3.860 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825194969 900039749 /nfs/dbraw/zinc/03/97/49/900039749.db2.gz TYWKGYRLEAGJPR-LLVKDONJSA-N -1 3 399.442 3.769 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825194969 900039759 /nfs/dbraw/zinc/03/97/59/900039759.db2.gz TYWKGYRLEAGJPR-LLVKDONJSA-N -1 3 399.442 3.769 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(C2SCCS2)cc1 ZINC000825298350 900078646 /nfs/dbraw/zinc/07/86/46/900078646.db2.gz PGAUHVGLNKVMCP-UHFFFAOYSA-N -1 3 387.530 3.858 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000572187107 900095892 /nfs/dbraw/zinc/09/58/92/900095892.db2.gz DDHAWCAKLONOPD-SBHAEUEKSA-N -1 3 383.463 3.885 20 0 GHADHM CCN(C(=O)c1cc2nc(C)ccc2o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381122 900134850 /nfs/dbraw/zinc/13/48/50/900134850.db2.gz ZQPAGAIPHUSLTJ-UHFFFAOYSA-N -1 3 382.811 3.636 20 0 GHADHM CCN(C(=O)c1cc2nc(C)ccc2o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381122 900134853 /nfs/dbraw/zinc/13/48/53/900134853.db2.gz ZQPAGAIPHUSLTJ-UHFFFAOYSA-N -1 3 382.811 3.636 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3[n-]cnc3C(F)(F)F)ccc21 ZINC000825384716 900136737 /nfs/dbraw/zinc/13/67/37/900136737.db2.gz INVYAIXYXFDSAH-UHFFFAOYSA-N -1 3 396.369 3.978 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3nc[n-]c3C(F)(F)F)ccc21 ZINC000825384716 900136741 /nfs/dbraw/zinc/13/67/41/900136741.db2.gz INVYAIXYXFDSAH-UHFFFAOYSA-N -1 3 396.369 3.978 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccc2c(c1)CCC2 ZINC000826421188 900221361 /nfs/dbraw/zinc/22/13/61/900221361.db2.gz VTULAFUCMSRJEF-UHFFFAOYSA-N -1 3 385.880 3.740 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccc2c(c1)CCC2 ZINC000826421188 900221374 /nfs/dbraw/zinc/22/13/74/900221374.db2.gz VTULAFUCMSRJEF-UHFFFAOYSA-N -1 3 385.880 3.740 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000843887193 900290343 /nfs/dbraw/zinc/29/03/43/900290343.db2.gz VBCRHABCZJTGNN-HNNXBMFYSA-N -1 3 388.464 3.571 20 0 GHADHM CN(C)c1nc(C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC000572981103 900327729 /nfs/dbraw/zinc/32/77/29/900327729.db2.gz LENFMUBHAPZEQE-HNNXBMFYSA-N -1 3 394.397 3.634 20 0 GHADHM CC(C)NC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660649 900384234 /nfs/dbraw/zinc/38/42/34/900384234.db2.gz NYUAXLSHLOVFAB-JTQLQIEISA-N -1 3 377.491 3.563 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001143744674 900466684 /nfs/dbraw/zinc/46/66/84/900466684.db2.gz WISSGWYXZBZIFH-VMPITWQZSA-N -1 3 379.762 3.762 20 0 GHADHM CCCCc1ncc(CN2CCC[C@H]2C(C)(C)O)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143754738 900503557 /nfs/dbraw/zinc/50/35/57/900503557.db2.gz OLBNGSDBIOXBSF-FQEVSTJZSA-N -1 3 399.535 3.708 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1[nH]c2ccccc2c1Br ZINC001143817607 900561949 /nfs/dbraw/zinc/56/19/49/900561949.db2.gz JIBORJADHJFCLN-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM CCOc1c(Cl)ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1F ZINC001143837202 900599134 /nfs/dbraw/zinc/59/91/34/900599134.db2.gz MEUABUUBBHRVNI-UHFFFAOYSA-N -1 3 392.858 3.541 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457978 900662282 /nfs/dbraw/zinc/66/22/82/900662282.db2.gz XUAPGYZRRIYVKI-UHFFFAOYSA-N -1 3 382.330 3.518 20 0 GHADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457978 900662289 /nfs/dbraw/zinc/66/22/89/900662289.db2.gz XUAPGYZRRIYVKI-UHFFFAOYSA-N -1 3 382.330 3.518 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1CCCCS1 ZINC000826460441 900672522 /nfs/dbraw/zinc/67/25/22/900672522.db2.gz CONIJWGMTNFTOL-CQSZACIVSA-N -1 3 397.529 3.918 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1CCCCS1 ZINC000826460441 900672525 /nfs/dbraw/zinc/67/25/25/900672525.db2.gz CONIJWGMTNFTOL-CQSZACIVSA-N -1 3 397.529 3.918 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2n[nH]c3ccc(F)cc32)s1 ZINC001143909224 900719569 /nfs/dbraw/zinc/71/95/69/900719569.db2.gz CSYVEYVTWCHTEW-UHFFFAOYSA-N -1 3 377.401 3.758 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(Cl)cc1F ZINC000574140878 900792044 /nfs/dbraw/zinc/79/20/44/900792044.db2.gz NGLCFDJDJHJDMT-DGCLKSJQSA-N -1 3 375.874 3.739 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1F ZINC000055581375 900861582 /nfs/dbraw/zinc/86/15/82/900861582.db2.gz ZOEBFESEGQCQFH-UHFFFAOYSA-N -1 3 380.441 3.681 20 0 GHADHM O=C1[C@@H](Sc2cccc(Cl)c2-c2nnn[n-]2)CCCN1Cc1ccccc1 ZINC000826478269 900882052 /nfs/dbraw/zinc/88/20/52/900882052.db2.gz YBMGJZVNYCRROS-INIZCTEOSA-N -1 3 399.907 3.803 20 0 GHADHM O=C1[C@@H](Sc2cccc(Cl)c2-c2nn[n-]n2)CCCN1Cc1ccccc1 ZINC000826478269 900882126 /nfs/dbraw/zinc/88/21/26/900882126.db2.gz YBMGJZVNYCRROS-INIZCTEOSA-N -1 3 399.907 3.803 20 0 GHADHM O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)c1s[n-]c(=O)c1Cl ZINC001171128519 900922892 /nfs/dbraw/zinc/92/28/92/900922892.db2.gz WHDTYKKCJWQSKP-AWEZNQCLSA-N -1 3 379.913 3.677 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1C ZINC001144077837 901044457 /nfs/dbraw/zinc/04/44/57/901044457.db2.gz CVMHCEXINFJTAC-UHFFFAOYSA-N -1 3 391.449 3.837 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000575139512 901130508 /nfs/dbraw/zinc/13/05/08/901130508.db2.gz HQCTVKYJOJLHPU-SFHVURJKSA-N -1 3 375.428 3.719 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826505027 901374048 /nfs/dbraw/zinc/37/40/48/901374048.db2.gz KQRKVXZMSXEOGV-SFHVURJKSA-N -1 3 393.447 3.894 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000826505027 901374055 /nfs/dbraw/zinc/37/40/55/901374055.db2.gz KQRKVXZMSXEOGV-SFHVURJKSA-N -1 3 393.447 3.894 20 0 GHADHM Oc1ccccc1-c1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000826511069 901378305 /nfs/dbraw/zinc/37/83/05/901378305.db2.gz ASZSKVARYGXVOL-UHFFFAOYSA-N -1 3 386.824 3.568 20 0 GHADHM O=C(NCc1ccccc1OCc1ccccc1)N[N-]C(=O)c1ccccc1F ZINC000047168396 901504278 /nfs/dbraw/zinc/50/42/78/901504278.db2.gz KTVKBXZTRZHIIC-UHFFFAOYSA-N -1 3 393.418 3.549 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cncc(Br)c2)c(Cl)cc1C ZINC001186418821 914543721 /nfs/dbraw/zinc/54/37/21/914543721.db2.gz RPXDOYXINHFXEO-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM [O-]c1coc2cc(OC[C@H](O)COc3ccc(-c4ccccc4)cc3)ccc12 ZINC000576295711 901918754 /nfs/dbraw/zinc/91/87/54/901918754.db2.gz SKZFNLUCNSPTSG-GOSISDBHSA-N -1 3 376.408 3.747 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000097153050 901967582 /nfs/dbraw/zinc/96/75/82/901967582.db2.gz DVKUHDXGMDNOCP-CYBMUJFWSA-N -1 3 396.516 3.629 20 0 GHADHM Cc1cc(C)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(OCc2ccccc2)n1 ZINC000576352950 901968495 /nfs/dbraw/zinc/96/84/95/901968495.db2.gz JUMMOOVBXZQCOA-HXUWFJFHSA-N -1 3 380.488 3.964 20 0 GHADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000047464376 902036809 /nfs/dbraw/zinc/03/68/09/902036809.db2.gz YEZVAPDJBCRBCB-NSHDSACASA-N -1 3 395.352 3.990 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCC4)cc2C[C@H]1C ZINC000333389257 902057137 /nfs/dbraw/zinc/05/71/37/902057137.db2.gz GRMNXDNXFWUBDS-CQSZACIVSA-N -1 3 384.501 3.664 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000845312114 902064794 /nfs/dbraw/zinc/06/47/94/902064794.db2.gz MQZBCKGNHLBCNJ-GJZGRUSLSA-N -1 3 396.365 3.640 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cnc(Cl)c(Cl)c1 ZINC000158800502 902139211 /nfs/dbraw/zinc/13/92/11/902139211.db2.gz GBYJYZMWEMGCKC-INIZCTEOSA-N -1 3 394.283 3.851 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)c1 ZINC000576666038 902171267 /nfs/dbraw/zinc/17/12/67/902171267.db2.gz CCWASBFMCPVNJF-UHFFFAOYSA-N -1 3 392.484 3.544 20 0 GHADHM CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144550734 902363514 /nfs/dbraw/zinc/36/35/14/902363514.db2.gz WVBDWRCSOHNWRT-OAHLLOKOSA-N -1 3 392.446 3.519 20 0 GHADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC001186538841 914625431 /nfs/dbraw/zinc/62/54/31/914625431.db2.gz BEQXFRCGSOEELT-BXKMTCNYSA-N -1 3 386.583 3.663 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144659393 902611342 /nfs/dbraw/zinc/61/13/42/902611342.db2.gz HIUBCFRSDGPFQZ-UHFFFAOYSA-N -1 3 386.464 3.735 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCCSC4)n3)n[n-]2)c1 ZINC000577251010 902619538 /nfs/dbraw/zinc/61/95/38/902619538.db2.gz REENOQJDHFJYRX-JTQLQIEISA-N -1 3 392.282 3.895 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000263866122 902625304 /nfs/dbraw/zinc/62/53/04/902625304.db2.gz GOPHTZMQHBKILE-RDTXWAMCSA-N -1 3 399.491 3.848 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000577451009 902783267 /nfs/dbraw/zinc/78/32/67/902783267.db2.gz NXLQLZPANLSYOI-UHFFFAOYSA-N -1 3 387.848 3.538 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000846233115 902807304 /nfs/dbraw/zinc/80/73/04/902807304.db2.gz YQBRRPDGDUPDDY-CSBXVMIQSA-N -1 3 395.455 3.772 20 0 GHADHM CC(C)(C)C(=O)NCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129498188 902817219 /nfs/dbraw/zinc/81/72/19/902817219.db2.gz OFUNGKIAGTZECR-UHFFFAOYSA-N -1 3 383.473 3.770 20 0 GHADHM CC(C)c1ccc(-c2nc(CN3C[C@H]4COCC[C@]4(C(=O)[O-])C3)cs2)cc1 ZINC000846283724 902845238 /nfs/dbraw/zinc/84/52/38/902845238.db2.gz XPBSPVOOSHREOY-UWJYYQICSA-N -1 3 386.517 3.857 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccc1F ZINC000303335730 914682408 /nfs/dbraw/zinc/68/24/08/914682408.db2.gz XWPXEHICRHEKNP-OKILXGFUSA-N -1 3 396.459 3.688 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000264401932 903068675 /nfs/dbraw/zinc/06/86/75/903068675.db2.gz HQKLRNQJIQQXSD-CQSZACIVSA-N -1 3 399.491 3.706 20 0 GHADHM COc1cccc([C@H](C)N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001144927287 903188206 /nfs/dbraw/zinc/18/82/06/903188206.db2.gz HEUSRWQXRMUYQK-HNNXBMFYSA-N -1 3 388.895 3.502 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(Cl)n1 ZINC001186633727 914695572 /nfs/dbraw/zinc/69/55/72/914695572.db2.gz SAFXIMHEEGOFAJ-UHFFFAOYSA-N -1 3 389.864 3.818 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cn(C)nc1C1CCCCC1)c2=O ZINC000577818677 903233491 /nfs/dbraw/zinc/23/34/91/903233491.db2.gz JOOCGKDFELJKQE-UHFFFAOYSA-N -1 3 398.438 3.709 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001146320805 903511421 /nfs/dbraw/zinc/51/14/21/903511421.db2.gz PGVUBXJCBXUCNI-QGZVFWFLSA-N -1 3 376.453 3.617 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c(C)c1 ZINC000134454349 903516347 /nfs/dbraw/zinc/51/63/47/903516347.db2.gz OJNBSWRSLMLWNH-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000578184799 903595390 /nfs/dbraw/zinc/59/53/90/903595390.db2.gz JGRJGACRTTXQJK-UHFFFAOYSA-N -1 3 394.440 3.660 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(N2CCCOC2=O)CC1 ZINC000887715750 903608245 /nfs/dbraw/zinc/60/82/45/903608245.db2.gz FTZDOIBNMQVYPY-UHFFFAOYSA-N -1 3 396.443 3.631 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)c1 ZINC001147217412 903736524 /nfs/dbraw/zinc/73/65/24/903736524.db2.gz IMIKJWQDEZLSAI-BUXKBTBVSA-N -1 3 388.851 3.676 20 0 GHADHM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001147742251 903867889 /nfs/dbraw/zinc/86/78/89/903867889.db2.gz KURSXJXNLHQHBZ-UHFFFAOYSA-N -1 3 392.846 3.942 20 0 GHADHM C[C@@H](c1ccccc1Br)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799170946 903877609 /nfs/dbraw/zinc/87/76/09/903877609.db2.gz BWEBNQRFYFETTQ-NSHDSACASA-N -1 3 393.247 3.901 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2ncccc2[O-])cs1 ZINC001148122270 903993423 /nfs/dbraw/zinc/99/34/23/903993423.db2.gz INPRTMMDLDFJND-LBPRGKRZSA-N -1 3 390.465 3.568 20 0 GHADHM COc1cccc(C(=O)Nc2cccc3c2cnn3C(=O)OC(C)(C)C)c1[O-] ZINC001148202762 904013975 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O=C(CCCc1ccc([O-])c(F)c1)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000826622826 904529951 /nfs/dbraw/zinc/52/99/51/904529951.db2.gz LICUWBUIZPUDGR-UHFFFAOYSA-N -1 3 399.388 3.722 20 0 GHADHM O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[N-]OC[C@H]1CCOC1 ZINC000187969805 904857114 /nfs/dbraw/zinc/85/71/14/904857114.db2.gz GGGCAPNYWWWCNT-HNNXBMFYSA-N -1 3 382.435 3.991 20 0 GHADHM O=C([N-][C@H]1CCOC12CCOCC2)C(F)(F)c1cccc(Cl)c1Cl ZINC000890449277 905058929 /nfs/dbraw/zinc/05/89/29/905058929.db2.gz DQDRICXDCQYXGP-LBPRGKRZSA-N -1 3 380.218 3.540 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@@H](C(C)(C)C)C[C@H]3C)c(=O)c2c(OC)c1 ZINC000627301362 905523431 /nfs/dbraw/zinc/52/34/31/905523431.db2.gz COWRISRLDKTHPX-ZIAGYGMSSA-N -1 3 386.492 3.832 20 0 GHADHM COc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OCc1ccccc1 ZINC000901502622 921178079 /nfs/dbraw/zinc/17/80/79/921178079.db2.gz USNVMQYFMIRGMC-LJQANCHMSA-N -1 3 381.472 3.961 20 0 GHADHM O=C(Cc1ccc(F)cc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176628888 905899118 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3.757 20 0 GHADHM COCCOCc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000629330683 906712753 /nfs/dbraw/zinc/71/27/53/906712753.db2.gz YAHVLXVIZNFCKI-UHFFFAOYSA-N -1 3 399.896 3.621 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cccc(F)c3F)c2)ccc1O ZINC001173947622 906759869 /nfs/dbraw/zinc/75/98/69/906759869.db2.gz UNDFDLNXJIQLHJ-UHFFFAOYSA-N -1 3 392.383 3.535 20 0 GHADHM C/C=C\C[C@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000629872140 907040621 /nfs/dbraw/zinc/04/06/21/907040621.db2.gz LDBFTZYFZNLDOM-JZIMQPMSSA-N -1 3 383.448 3.759 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(C)n([C@H]3CCCOC3)c2C)[nH][n-]1 ZINC000629953745 907070056 /nfs/dbraw/zinc/07/00/56/907070056.db2.gz SQHUOXZJTWBHDW-INIZCTEOSA-N -1 3 394.475 3.529 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4noc(C(C)C)n4)CC3)nc2)n1 ZINC000366113649 921307789 /nfs/dbraw/zinc/30/77/89/921307789.db2.gz VCZVIRRVUIIYRX-UHFFFAOYSA-N -1 3 394.479 3.697 20 0 GHADHM O=C([O-])c1ccc(N2CCC(NCc3ccsc3Br)CC2)cc1 ZINC000630452717 907287709 /nfs/dbraw/zinc/28/77/09/907287709.db2.gz NNXWLMICDNXTSU-UHFFFAOYSA-N -1 3 395.322 3.967 20 0 GHADHM COC(=O)c1cc(Br)cc(Nc2c(F)cc([O-])cc2F)c1OC ZINC001175103016 907359204 /nfs/dbraw/zinc/35/92/04/907359204.db2.gz QXNCZKDWKOSCBN-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2ccc([O-])c(Cl)c2)C[C@@H](C)O1 ZINC000630765802 907398980 /nfs/dbraw/zinc/39/89/80/907398980.db2.gz JAHUIFAIVAVKII-HUUCEWRRSA-N -1 3 388.895 3.836 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC000777395621 907408983 /nfs/dbraw/zinc/40/89/83/907408983.db2.gz WKQCAUMONLSROY-UHFFFAOYSA-N -1 3 384.517 3.555 20 0 GHADHM CCOC(=O)c1cc(Nc2c(F)ccc([O-])c2F)n(Cc2ccccc2F)n1 ZINC001175264151 907473797 /nfs/dbraw/zinc/47/37/97/907473797.db2.gz SQJZCSFYPVYUDL-UHFFFAOYSA-N -1 3 391.349 3.975 20 0 GHADHM [O-]c1ccc(F)c(Nc2ncc(Br)nc2N2CCCCC2)c1F ZINC001175262544 907474032 /nfs/dbraw/zinc/47/40/32/907474032.db2.gz JQJPVGLQDATPBI-UHFFFAOYSA-N -1 3 385.212 3.957 20 0 GHADHM O=C(NCc1ccco1)c1ccc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432070 907550043 /nfs/dbraw/zinc/55/00/43/907550043.db2.gz SGRFRCLVEHHMOC-UHFFFAOYSA-N -1 3 394.822 3.787 20 0 GHADHM Cc1ccnc([C@H]2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2)c1 ZINC000631476061 907726918 /nfs/dbraw/zinc/72/69/18/907726918.db2.gz MSNFRDQFQAJDIQ-KRWDZBQOSA-N -1 3 389.459 3.882 20 0 GHADHM O=C([O-])c1cncc(Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC001175841740 907757087 /nfs/dbraw/zinc/75/70/87/907757087.db2.gz VAZCCRNBWYLTDE-UHFFFAOYSA-N -1 3 388.471 3.846 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C(C)C)cc1 ZINC000299466497 921350657 /nfs/dbraw/zinc/35/06/57/921350657.db2.gz AFLGTQLWJCDDHG-UHFFFAOYSA-N -1 3 390.487 3.925 20 0 GHADHM C[C@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000632051065 907910302 /nfs/dbraw/zinc/91/03/02/907910302.db2.gz AYADQHYWXPEULY-NWDGAFQWSA-N -1 3 377.457 3.533 20 0 GHADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(OC)c([O-])c(OC)c1)CCC2 ZINC000186871723 907999078 /nfs/dbraw/zinc/99/90/78/907999078.db2.gz VMXGGISAMGGQQJ-ZDUSSCGKSA-N -1 3 376.478 3.578 20 0 GHADHM Cc1nn(C)c2ncc(CN3CCC([C@H](CC(=O)[O-])c4ccccc4)CC3)cc12 ZINC000901599928 921387720 /nfs/dbraw/zinc/38/77/20/921387720.db2.gz PJHZCSKJSITHNK-OAQYLSRUSA-N -1 3 392.503 3.747 20 0 GHADHM Cc1nc([N-]C(=O)c2cccc[n+]2[O-])sc1Cc1cccc(Cl)c1F ZINC000773588571 908257512 /nfs/dbraw/zinc/25/75/12/908257512.db2.gz OJZISDFURBSBTI-UHFFFAOYSA-N -1 3 377.828 3.721 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858788 908297892 /nfs/dbraw/zinc/29/78/92/908297892.db2.gz MDRAOEUOWKTIOF-QGZVFWFLSA-N -1 3 387.867 3.659 20 0 GHADHM Cc1nn(C(C)C)cc1CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000901622347 921407223 /nfs/dbraw/zinc/40/72/23/921407223.db2.gz NJJKWZZTRORTSD-QGZVFWFLSA-N -1 3 380.286 3.625 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCc4c(O)cccc43)c2)n1 ZINC000190141202 908437030 /nfs/dbraw/zinc/43/70/30/908437030.db2.gz HKPWVDYEQILJTJ-LJQANCHMSA-N -1 3 389.455 3.764 20 0 GHADHM CCN(CCc1cccs1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299527299 921412264 /nfs/dbraw/zinc/41/22/64/921412264.db2.gz QNFBCSIRPWJHSS-UHFFFAOYSA-N -1 3 396.516 3.638 20 0 GHADHM O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000780415442 908537511 /nfs/dbraw/zinc/53/75/11/908537511.db2.gz HPRYQPGBZQEIPO-UHFFFAOYSA-N -1 3 389.473 3.586 20 0 GHADHM CC[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC001177649649 908701030 /nfs/dbraw/zinc/70/10/30/908701030.db2.gz QUKVQOLCZOOFEN-OAHLLOKOSA-N -1 3 379.382 3.888 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687556 908710059 /nfs/dbraw/zinc/71/00/59/908710059.db2.gz MJBRBBJOYUXZIB-GFCCVEGCSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC001177687556 908710065 /nfs/dbraw/zinc/71/00/65/908710065.db2.gz MJBRBBJOYUXZIB-GFCCVEGCSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)[C@@](C)(CNC(=O)c1cc([O-])cc(Br)c1)CC(C)C ZINC001178574924 909129258 /nfs/dbraw/zinc/12/92/58/909129258.db2.gz CGOFONXEVNVKEV-QGZVFWFLSA-N -1 3 386.286 3.500 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F)c1ccco1 ZINC000779952567 909140941 /nfs/dbraw/zinc/14/09/41/909140941.db2.gz YKOGRPCXHMTJLH-ZDUSSCGKSA-N -1 3 398.843 3.676 20 0 GHADHM COc1ccc2c(c1)CC[C@@H](CC(=O)Nc1ncc([O-])cc1Br)C2 ZINC001178906389 909307708 /nfs/dbraw/zinc/30/77/08/909307708.db2.gz HOQUSKWTNQDDNC-LLVKDONJSA-N -1 3 391.265 3.692 20 0 GHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001178974681 909320604 /nfs/dbraw/zinc/32/06/04/909320604.db2.gz VXYCCHKSKKCZIM-JTQLQIEISA-N -1 3 375.787 3.655 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(Br)cs1 ZINC000266973717 909354806 /nfs/dbraw/zinc/35/48/06/909354806.db2.gz MVIZRVTUAAWJFJ-UHFFFAOYSA-N -1 3 398.326 3.884 20 0 GHADHM Cc1ccnc(Oc2ccc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)cc2)c1 ZINC001179183811 909399423 /nfs/dbraw/zinc/39/94/23/909399423.db2.gz WZCFGXFXSDHFQL-LLVKDONJSA-N -1 3 391.353 3.810 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)Nc3ncccc3[O-])C2)CC1 ZINC001179233545 909430257 /nfs/dbraw/zinc/43/02/57/909430257.db2.gz HQNQEWLHNYVGCY-CQSZACIVSA-N -1 3 375.469 3.543 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317894 909536022 /nfs/dbraw/zinc/53/60/22/909536022.db2.gz KRSFLAXHAUJIAD-UHFFFAOYSA-N -1 3 397.862 3.952 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1csc(Cc2ccc(F)cc2)n1 ZINC000636318853 909537220 /nfs/dbraw/zinc/53/72/20/909537220.db2.gz GZSFIOYMPHUGHI-UHFFFAOYSA-N -1 3 398.463 3.566 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1C(C)C ZINC000636319093 909538016 /nfs/dbraw/zinc/53/80/16/909538016.db2.gz MCLOYXYLUOPGER-OAHLLOKOSA-N -1 3 383.492 3.965 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000636322394 909543747 /nfs/dbraw/zinc/54/37/47/909543747.db2.gz QMNAFRBEUZVINK-LSDHHAIUSA-N -1 3 391.393 3.888 20 0 GHADHM CC[C@@H]1CCN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])C1 ZINC000268002556 909732295 /nfs/dbraw/zinc/73/22/95/909732295.db2.gz DCLQKUZQXVCANM-CQSZACIVSA-N -1 3 398.459 3.534 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC001179796586 909736130 /nfs/dbraw/zinc/73/61/30/909736130.db2.gz UEHFLZIXZVCDGJ-AWEZNQCLSA-N -1 3 387.741 3.709 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001179882880 909804977 /nfs/dbraw/zinc/80/49/77/909804977.db2.gz FOMWGTMDECXBMY-UHFFFAOYSA-N -1 3 393.823 3.882 20 0 GHADHM Cc1nn(C)c2ncc(CN[C@](C)(C(=O)[O-])c3ccc(Cl)c(Cl)c3)cc12 ZINC000901746222 921530086 /nfs/dbraw/zinc/53/00/86/921530086.db2.gz MCKNHSARRGKMDR-SFHVURJKSA-N -1 3 393.274 3.673 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc1[O-] ZINC000801843543 921541529 /nfs/dbraw/zinc/54/15/29/921541529.db2.gz MRDBFUBLSCQSEU-UHFFFAOYSA-N -1 3 398.198 3.917 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268981339 910092341 /nfs/dbraw/zinc/09/23/41/910092341.db2.gz JESMAXDUVSYXJL-KXBFYZLASA-N -1 3 382.508 3.912 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CCOc3ccc(F)cc3)n[n-]2)cc1 ZINC001180832701 910369049 /nfs/dbraw/zinc/36/90/49/910369049.db2.gz NTGNKVUKUOWXOH-UHFFFAOYSA-N -1 3 386.452 3.952 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1C ZINC001180833354 910369544 /nfs/dbraw/zinc/36/95/44/910369544.db2.gz UPTWAAAAPMBDKI-UHFFFAOYSA-N -1 3 383.477 3.805 20 0 GHADHM CC(C)Oc1cc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)ccn1 ZINC000269920772 910384148 /nfs/dbraw/zinc/38/41/48/910384148.db2.gz PVNVQOVNSCZWNB-UHFFFAOYSA-N -1 3 377.444 3.927 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000270171095 910467571 /nfs/dbraw/zinc/46/75/71/910467571.db2.gz HNRPYWYMDSCTOO-ZDUSSCGKSA-N -1 3 384.377 3.642 20 0 GHADHM COc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000270839542 910714251 /nfs/dbraw/zinc/71/42/51/910714251.db2.gz UXMXVVIDEBSCOT-HRAATJIYSA-N -1 3 385.460 3.616 20 0 GHADHM CC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1F ZINC000640303589 910961826 /nfs/dbraw/zinc/96/18/26/910961826.db2.gz URFPSPKKSBWJPN-GFCCVEGCSA-N -1 3 378.757 3.933 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3cc[nH]c32)ccc1F ZINC000773944619 910966186 /nfs/dbraw/zinc/96/61/86/910966186.db2.gz QESFHYVRUZIGFI-UHFFFAOYSA-N -1 3 389.452 3.636 20 0 GHADHM CCN(CC)Cc1cn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nn1 ZINC000640795566 911191793 /nfs/dbraw/zinc/19/17/93/911191793.db2.gz WJTJHSBWXJUMSB-UHFFFAOYSA-N -1 3 394.504 3.546 20 0 GHADHM O=C([O-])CCN(Cc1cccc(Br)c1)C[C@@H]1CC1(Cl)Cl ZINC000901860031 921648073 /nfs/dbraw/zinc/64/80/73/921648073.db2.gz YHQCHUCJAYQVHC-NSHDSACASA-N -1 3 381.097 3.920 20 0 GHADHM CN(Cc1ccccc1)[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001182243143 911322999 /nfs/dbraw/zinc/32/29/99/911322999.db2.gz CFORKFIUQWGHAJ-NRFANRHFSA-N -1 3 398.470 3.679 20 0 GHADHM CN(Cc1ccccc1)[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001182243143 911323021 /nfs/dbraw/zinc/32/30/21/911323021.db2.gz CFORKFIUQWGHAJ-NRFANRHFSA-N -1 3 398.470 3.679 20 0 GHADHM CC1(CS(=O)(=O)[N-]C2(c3noc([C@H]4CCCO4)n3)CCCCCC2)CCC1 ZINC000641391098 911401061 /nfs/dbraw/zinc/40/10/61/911401061.db2.gz MMOWUHXETPEUOE-OAHLLOKOSA-N -1 3 397.541 3.580 20 0 GHADHM CC(C)N(CC1CC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000543746264 911880627 /nfs/dbraw/zinc/88/06/27/911880627.db2.gz XKMHQADEEKZVCN-NRFANRHFSA-N -1 3 380.488 3.900 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3n[nH]c(-c4cccc5ccccc54)n3)nn2)cc1 ZINC000642380539 912032524 /nfs/dbraw/zinc/03/25/24/912032524.db2.gz FOISHAWYZAHBCM-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM CC(C)Oc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)c(Cl)cc1Cl ZINC001182971740 912159909 /nfs/dbraw/zinc/15/99/09/912159909.db2.gz JTPBAZQACHVKLB-UHFFFAOYSA-N -1 3 397.258 3.855 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cs1 ZINC001187036316 915009427 /nfs/dbraw/zinc/00/94/27/915009427.db2.gz SELVIMBPJZAVJM-UHFFFAOYSA-N -1 3 380.274 3.783 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)c1cc(F)ccc1F ZINC001187111214 915015750 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COc1ccc2c(c1)CCC[C@]2(NCc1cnn(-c2ccccc2C)c1)C(=O)[O-] ZINC000647646936 915352662 /nfs/dbraw/zinc/35/26/62/915352662.db2.gz VAMMOUXNDOMSNN-HSZRJFAPSA-N -1 3 391.471 3.595 20 0 GHADHM COC(=O)c1csc(C)c1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187616955 915386201 /nfs/dbraw/zinc/38/62/01/915386201.db2.gz NZTVZZDHBIDCAT-UHFFFAOYSA-N -1 3 389.498 3.981 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3[n-]nnc3C(F)(F)F)cc21 ZINC001187766112 915513404 /nfs/dbraw/zinc/51/34/04/915513404.db2.gz GZAOVQVNGAVFAY-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3nn[n-]c3C(F)(F)F)cc21 ZINC001187766112 915513418 /nfs/dbraw/zinc/51/34/18/915513418.db2.gz GZAOVQVNGAVFAY-UHFFFAOYSA-N -1 3 395.341 3.814 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1 ZINC001187808246 915526531 /nfs/dbraw/zinc/52/65/31/915526531.db2.gz BHDGZTUIKPCVOP-UHFFFAOYSA-N -1 3 395.440 3.936 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC001188088195 915747073 /nfs/dbraw/zinc/74/70/73/915747073.db2.gz XEVHGZMVJNZESG-TVQRCGJNSA-N -1 3 379.215 3.501 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CC1)c1cnc(Cl)c(Cl)c1 ZINC001188097361 915754193 /nfs/dbraw/zinc/75/41/93/915754193.db2.gz JFFQJTNMZBBZMQ-UHFFFAOYSA-N -1 3 375.252 3.581 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)s1 ZINC001188250595 915826770 /nfs/dbraw/zinc/82/67/70/915826770.db2.gz KGNFENNPISPVAE-LBPRGKRZSA-N -1 3 380.510 3.702 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)s1 ZINC001188250595 915826781 /nfs/dbraw/zinc/82/67/81/915826781.db2.gz KGNFENNPISPVAE-LBPRGKRZSA-N -1 3 380.510 3.702 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188423953 915934946 /nfs/dbraw/zinc/93/49/46/915934946.db2.gz NOLFYDMOVBUDTC-UHFFFAOYSA-N -1 3 393.827 3.746 20 0 GHADHM CC(C)[C@]1(CO)CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000293112695 916013129 /nfs/dbraw/zinc/01/31/29/916013129.db2.gz QZTWBJUZCTWZGF-HXUWFJFHSA-N -1 3 387.505 3.887 20 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0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)s1 ZINC001189645915 916770381 /nfs/dbraw/zinc/77/03/81/916770381.db2.gz JRAJZKAGHOGZIA-XYPYZODXSA-N -1 3 377.318 3.983 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cccc3c2OCCC3)c(Br)c1 ZINC000650173816 916776339 /nfs/dbraw/zinc/77/63/39/916776339.db2.gz WSZNFGCLXLRHME-UHFFFAOYSA-N -1 3 398.278 3.584 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c(Cl)c1 ZINC001189613928 916778184 /nfs/dbraw/zinc/77/81/84/916778184.db2.gz RSRLWMJGFVRQQL-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cnc(Cl)c(C(F)(F)F)c1 ZINC001189650913 916812411 /nfs/dbraw/zinc/81/24/11/916812411.db2.gz JSOPNTWXCWDMKN-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM Cc1ccc(C)c(N2CCN(C(=O)c3cccc(OC(F)(F)F)c3[O-])CC2)c1 ZINC001189750034 916873069 /nfs/dbraw/zinc/87/30/69/916873069.db2.gz ZJMJBCLPNHVOJY-UHFFFAOYSA-N -1 3 394.393 3.870 20 0 GHADHM O=C(Nc1cc(-c2ccccc2O)no1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189755772 916880987 /nfs/dbraw/zinc/88/09/87/916880987.db2.gz RWYOHORJJKURRW-UHFFFAOYSA-N -1 3 380.278 3.904 20 0 GHADHM COc1cc2c(cc1C)C[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C2 ZINC001189764753 916900362 /nfs/dbraw/zinc/90/03/62/916900362.db2.gz FXIRPJLARWJNDU-CYBMUJFWSA-N -1 3 381.350 3.505 20 0 GHADHM CSc1ccc(OCCNC(=O)c2cccc(OC(F)(F)F)c2[O-])cc1 ZINC001189766675 916901746 /nfs/dbraw/zinc/90/17/46/916901746.db2.gz ZGWAPVVJSVLVPP-UHFFFAOYSA-N -1 3 387.379 3.822 20 0 GHADHM CCOC(=O)c1coc2cc([N-]S(=O)(=O)Cc3ccc(F)cc3F)ccc12 ZINC001189830638 916953926 /nfs/dbraw/zinc/95/39/26/916953926.db2.gz CKUWEGXXKUNXBT-UHFFFAOYSA-N -1 3 395.383 3.830 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189993973 917052871 /nfs/dbraw/zinc/05/28/71/917052871.db2.gz YFSZRGWHKXRSMW-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cc(C(F)(F)F)ccc1F ZINC001190338837 917270085 /nfs/dbraw/zinc/27/00/85/917270085.db2.gz STPBEQJLMFHAKV-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccccc1Cl)c1cc(C(F)(F)F)ccc1F ZINC001190350566 917278392 /nfs/dbraw/zinc/27/83/92/917278392.db2.gz NGWQRLIMMUXYFN-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(SC(=O)N(C)C)c1)c1ccccc1 ZINC000295679205 917417711 /nfs/dbraw/zinc/41/77/11/917417711.db2.gz CBAQULHCGLFTAU-QGZVFWFLSA-N -1 3 394.518 3.590 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)C ZINC001190592773 917435982 /nfs/dbraw/zinc/43/59/82/917435982.db2.gz BMTNZEXOUDBNCJ-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190909851 917658391 /nfs/dbraw/zinc/65/83/91/917658391.db2.gz MGIQCYWBLMKALZ-HOTGVXAUSA-N -1 3 388.851 3.740 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190910711 917659671 /nfs/dbraw/zinc/65/96/71/917659671.db2.gz WOLSLTPRIIEIES-XBFCOCLRSA-N -1 3 380.872 3.556 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cccc(Oc2ccccc2)n1 ZINC001191135799 917804707 /nfs/dbraw/zinc/80/47/07/917804707.db2.gz MWOFWKOFQQHNLS-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1c([O-])ccc(Br)c1C ZINC000652379256 917886406 /nfs/dbraw/zinc/88/64/06/917886406.db2.gz RMYMZWFJJIXOLI-UHFFFAOYSA-N -1 3 392.297 3.868 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1F ZINC001191304415 917905302 /nfs/dbraw/zinc/90/53/02/917905302.db2.gz BGWGDNNVLLTEER-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000652505392 917914791 /nfs/dbraw/zinc/91/47/91/917914791.db2.gz KSCMHJLVNOVAJK-UHFFFAOYSA-N -1 3 397.397 3.624 20 0 GHADHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001191313642 917927050 /nfs/dbraw/zinc/92/70/50/917927050.db2.gz VCBAOHOIXGLULO-CHWSQXEVSA-N -1 3 396.734 3.729 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCC2)c1 ZINC001191317613 917929719 /nfs/dbraw/zinc/92/97/19/917929719.db2.gz SGZGJHSKXLZMPX-UHFFFAOYSA-N -1 3 386.233 3.911 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(Cl)n1 ZINC001191334244 917938988 /nfs/dbraw/zinc/93/89/88/917938988.db2.gz JDCPHUYOGYLANL-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1cc(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)cc(OC)c1[O-] ZINC000652786054 918012514 /nfs/dbraw/zinc/01/25/14/918012514.db2.gz DWAFSSOWCPVHMQ-GFCCVEGCSA-N -1 3 375.852 3.865 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000775470950 918109839 /nfs/dbraw/zinc/10/98/39/918109839.db2.gz YYHAKADRFMROOA-SFHVURJKSA-N -1 3 385.468 3.641 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000775470950 918109847 /nfs/dbraw/zinc/10/98/47/918109847.db2.gz YYHAKADRFMROOA-SFHVURJKSA-N -1 3 385.468 3.641 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OC(F)(F)O3)sc1Cl ZINC001191694626 918159623 /nfs/dbraw/zinc/15/96/23/918159623.db2.gz VWAPPKIMERIEED-UHFFFAOYSA-N -1 3 381.809 3.510 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)OC(F)(F)O2)c1cccc(Cl)c1Cl ZINC001191695046 918160914 /nfs/dbraw/zinc/16/09/14/918160914.db2.gz ZKYNBMHDNAUNJN-UHFFFAOYSA-N -1 3 396.198 3.793 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000363371551 918164365 /nfs/dbraw/zinc/16/43/65/918164365.db2.gz KURULXTYXYDWKX-UHFFFAOYSA-N -1 3 387.439 3.888 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]Cc2cncnc2C(C)(F)F)c1Cl ZINC001191777223 918182194 /nfs/dbraw/zinc/18/21/94/918182194.db2.gz QQDFAFKWSXUGPX-UHFFFAOYSA-N -1 3 396.246 3.682 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ncc(Br)cc1F ZINC001191865875 918268766 /nfs/dbraw/zinc/26/87/66/918268766.db2.gz IOXKQPIIFLLCEN-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM CCCc1cc(C(=O)N[N-]C(=O)c2ccccc2Br)sc1C ZINC000007038785 918352421 /nfs/dbraw/zinc/35/24/21/918352421.db2.gz ROLNWNODBGXBCM-UHFFFAOYSA-N -1 3 381.295 3.846 20 0 GHADHM Cc1nnc(SCc2noc(-c3ccccc3[O-])n2)n1-c1ccccc1C ZINC000363657788 918604239 /nfs/dbraw/zinc/60/42/39/918604239.db2.gz GKKBDCFTLLHUPJ-UHFFFAOYSA-N -1 3 379.445 3.932 20 0 GHADHM Cc1nc(NC([O-])=NOC(C)(C)CO)sc1Cc1ccc(Cl)cc1F ZINC000297218752 919156685 /nfs/dbraw/zinc/15/66/85/919156685.db2.gz UVIOMXHIQLDYCI-UHFFFAOYSA-N -1 3 387.864 3.659 20 0 GHADHM Cc1nc(NC(=O)[N-]OC(C)(C)CO)sc1Cc1ccc(Cl)cc1F ZINC000297218752 919156689 /nfs/dbraw/zinc/15/66/89/919156689.db2.gz UVIOMXHIQLDYCI-UHFFFAOYSA-N -1 3 387.864 3.659 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000275923029 919483101 /nfs/dbraw/zinc/48/31/01/919483101.db2.gz VGZLVBVRFNEGLU-UONOGXRCSA-N -1 3 385.464 3.506 20 0 GHADHM Cc1sc(CCNCc2cc(C)c(F)cc2Br)nc1C(=O)[O-] ZINC000900058381 919782301 /nfs/dbraw/zinc/78/23/01/919782301.db2.gz ANZSMVAJIJVSBO-UHFFFAOYSA-N -1 3 387.274 3.692 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800264170 919804947 /nfs/dbraw/zinc/80/49/47/919804947.db2.gz XKSRCCGYMKAEBQ-VXGBXAGGSA-N -1 3 384.411 3.795 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800264170 919804956 /nfs/dbraw/zinc/80/49/56/919804956.db2.gz XKSRCCGYMKAEBQ-VXGBXAGGSA-N -1 3 384.411 3.795 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800264170 919804971 /nfs/dbraw/zinc/80/49/71/919804971.db2.gz XKSRCCGYMKAEBQ-VXGBXAGGSA-N -1 3 384.411 3.795 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1OC ZINC000364686495 919839567 /nfs/dbraw/zinc/83/95/67/919839567.db2.gz PGLVIKOIEACFOU-AUUYWEPGSA-N -1 3 395.525 3.501 20 0 GHADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000365251702 920571278 /nfs/dbraw/zinc/57/12/78/920571278.db2.gz DWKHUZZMNUFQRJ-RBZFPXEDSA-N -1 3 382.847 3.784 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000800952169 920637771 /nfs/dbraw/zinc/63/77/71/920637771.db2.gz XJODNUVZHHVBNM-MRVPVSSYSA-N -1 3 394.287 3.698 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)CCCc3ccccc3)nc(=O)c2c1C ZINC000298761046 920895520 /nfs/dbraw/zinc/89/55/20/920895520.db2.gz PCPNKBPMCXGZDM-UHFFFAOYSA-N -1 3 385.489 3.557 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1)C(=O)[O-] ZINC000902453013 922206152 /nfs/dbraw/zinc/20/61/52/922206152.db2.gz PEARORIEZARXLR-KRWDZBQOSA-N -1 3 379.456 3.979 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC4(CCOCC4)CO3)o2)cc1 ZINC000902500187 922241583 /nfs/dbraw/zinc/24/15/83/922241583.db2.gz FKJWJCOJVMBALM-SFHVURJKSA-N -1 3 385.460 3.710 20 0 GHADHM O=C([O-])Cn1cc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c(-c2ccccc2)n1 ZINC000902549869 922271848 /nfs/dbraw/zinc/27/18/48/922271848.db2.gz RQUFOCBPYPFKQA-KRWDZBQOSA-N -1 3 397.372 3.501 20 0 GHADHM C[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1CC(=O)[O-] ZINC000902560919 922289500 /nfs/dbraw/zinc/28/95/00/922289500.db2.gz XUOWJVQPEUZYDQ-MWLCHTKSSA-N -1 3 396.203 3.890 20 0 GHADHM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000902819320 922524593 /nfs/dbraw/zinc/52/45/93/922524593.db2.gz GKZKYLGGQUIQEF-FVQBIDKESA-N -1 3 399.409 3.804 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C)(C)c2ccccc2)ccc1F ZINC000803618979 923104629 /nfs/dbraw/zinc/10/46/29/923104629.db2.gz KPQSZKVKAFQERO-UHFFFAOYSA-N -1 3 392.496 3.520 20 0 GHADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(OCc2ccccc2F)cc1 ZINC000903600138 923115693 /nfs/dbraw/zinc/11/56/93/923115693.db2.gz DEIFLZKWTDKQBQ-KRWDZBQOSA-N -1 3 375.465 3.797 20 0 GHADHM CN(Cc1cncc(C(=O)[O-])c1)CC1(c2ccc(Br)cc2)CC1 ZINC000903894290 923375996 /nfs/dbraw/zinc/37/59/96/923375996.db2.gz SHASIMOTXINPLS-UHFFFAOYSA-N -1 3 375.266 3.706 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3cccc4c3CCCC4)cc2)n1 ZINC000748644482 923771222 /nfs/dbraw/zinc/77/12/22/923771222.db2.gz ZSNCDTGNINYXLB-UHFFFAOYSA-N -1 3 399.472 3.637 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)c2)n1 ZINC000749039972 923992610 /nfs/dbraw/zinc/99/26/10/923992610.db2.gz ATBKXFWBZRZJOP-UHFFFAOYSA-N -1 3 399.406 3.936 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)[C@H](C)c2ccccc2)c1Cl ZINC000676856498 924113101 /nfs/dbraw/zinc/11/31/01/924113101.db2.gz FUDOXWHHEPVYCY-DOMZBBRYSA-N -1 3 388.316 3.745 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3ccc([O-])c(F)c3)n2)ccc1F ZINC000370495846 924127397 /nfs/dbraw/zinc/12/73/97/924127397.db2.gz FXAXTKBUUYYZLG-LLVKDONJSA-N -1 3 388.374 3.589 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCOc3c(-c4ccccc4)cccc32)s1 ZINC000677238620 924296342 /nfs/dbraw/zinc/29/63/42/924296342.db2.gz CWVLYUBHNQTDHK-KRWDZBQOSA-N -1 3 386.498 3.921 20 0 GHADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000677908935 924544518 /nfs/dbraw/zinc/54/45/18/924544518.db2.gz BOBVNCJBRIBNDV-BQYQJAHWSA-N -1 3 398.835 3.788 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000678430786 924767010 /nfs/dbraw/zinc/76/70/10/924767010.db2.gz VSFHWKKPLCQOJB-LJQANCHMSA-N -1 3 384.520 3.770 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000678616653 924842332 /nfs/dbraw/zinc/84/23/32/924842332.db2.gz AXPGUIYYZSPXLX-IAGOWNOFSA-N -1 3 396.491 3.828 20 0 GHADHM CC1(C)CN(CC(F)(F)F)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000678801429 924928694 /nfs/dbraw/zinc/92/86/94/924928694.db2.gz SWAQQBBLKUDJNA-UHFFFAOYSA-N -1 3 394.397 3.540 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680107558 925365541 /nfs/dbraw/zinc/36/55/41/925365541.db2.gz KILJTZGAWVALKH-ZDUSSCGKSA-N -1 3 394.226 3.825 20 0 GHADHM O=C(NC[C@@H](O)c1cccc(F)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001137406732 925443850 /nfs/dbraw/zinc/44/38/50/925443850.db2.gz OLBULVAYZCUVFO-JOCHJYFZSA-N -1 3 379.431 3.780 20 0 GHADHM O=c1nc(CN2CCC[C@@H](c3ccncn3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000372579707 925554235 /nfs/dbraw/zinc/55/42/35/925554235.db2.gz XMEGEQWKHDBZQX-CYBMUJFWSA-N -1 3 393.472 3.827 20 0 GHADHM COc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC001137446207 925824856 /nfs/dbraw/zinc/82/48/56/925824856.db2.gz KQSJETSODOQPJV-HNNXBMFYSA-N -1 3 390.277 3.585 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)[n-]c1-c1ccccc1 ZINC000681683116 925878206 /nfs/dbraw/zinc/87/82/06/925878206.db2.gz JVVZLDWAIHZKPH-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)nc1-c1ccccc1 ZINC000681683116 925878210 /nfs/dbraw/zinc/87/82/10/925878210.db2.gz JVVZLDWAIHZKPH-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000682151041 926028296 /nfs/dbraw/zinc/02/82/96/926028296.db2.gz LWWDQVMCDXABER-UHFFFAOYSA-N -1 3 393.462 3.871 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)sc1Cl ZINC000682730248 926222140 /nfs/dbraw/zinc/22/21/40/926222140.db2.gz UZIUCSBPCFLXJX-AWEZNQCLSA-N -1 3 381.910 3.626 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1[O-] ZINC000411455310 926413637 /nfs/dbraw/zinc/41/36/37/926413637.db2.gz ZYWWRYUOKMPGMS-UHFFFAOYSA-N -1 3 387.382 3.608 20 0 GHADHM COc1ccccc1[C@@H](O)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725885422 926479214 /nfs/dbraw/zinc/47/92/14/926479214.db2.gz NROILUNWSDDSQL-QFIPXVFZSA-N -1 3 391.467 3.649 20 0 GHADHM COC(=O)NCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000749392426 927085587 /nfs/dbraw/zinc/08/55/87/927085587.db2.gz YRQBOBNVJXDMRY-UHFFFAOYSA-N -1 3 385.445 3.744 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000749792061 927272291 /nfs/dbraw/zinc/27/22/91/927272291.db2.gz SNYMRTNCZKDRED-ZDUSSCGKSA-N -1 3 380.366 3.631 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000749795530 927273913 /nfs/dbraw/zinc/27/39/13/927273913.db2.gz MEKAVCFRTDXABL-HOTGVXAUSA-N -1 3 394.446 3.835 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c([O-])c1 ZINC000412653200 927693361 /nfs/dbraw/zinc/69/33/61/927693361.db2.gz HEWWOFAVZHVBGM-QHCPKHFHSA-N -1 3 395.455 3.821 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000751212525 928075695 /nfs/dbraw/zinc/07/56/95/928075695.db2.gz ZMHYQNJVWKJRCJ-HUUCEWRRSA-N -1 3 392.496 3.803 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1Cl ZINC000751429845 928188542 /nfs/dbraw/zinc/18/85/42/928188542.db2.gz ZQHZCCDVMKKEEY-OAHLLOKOSA-N -1 3 383.828 3.546 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2F)c1Cl ZINC000751430141 928188969 /nfs/dbraw/zinc/18/89/69/928188969.db2.gz KSEFEYBPOCFWSF-LBPRGKRZSA-N -1 3 396.242 3.592 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751482907 928214291 /nfs/dbraw/zinc/21/42/91/928214291.db2.gz AJMJDKGVMGEZPN-YMTOWFKASA-N -1 3 378.252 3.533 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751482900 928214370 /nfs/dbraw/zinc/21/43/70/928214370.db2.gz AJMJDKGVMGEZPN-LKFCYVNXSA-N -1 3 378.252 3.533 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc2c1CCCC2 ZINC000751508493 928229337 /nfs/dbraw/zinc/22/93/37/928229337.db2.gz ZYQFGRGTRFXLJO-UHFFFAOYSA-N -1 3 396.306 3.512 20 0 GHADHM O=C(OCc1nc(C(F)(F)F)cs1)c1cccc(Br)c1[O-] ZINC000751714633 928342670 /nfs/dbraw/zinc/34/26/70/928342670.db2.gz RUEBKNISKSGVOR-UHFFFAOYSA-N -1 3 382.157 3.987 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000752574449 928902439 /nfs/dbraw/zinc/90/24/39/928902439.db2.gz YYQUZLUGYJDDPY-UHFFFAOYSA-N -1 3 383.878 3.627 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccc3)cc2)ccc1F ZINC000752638559 928943716 /nfs/dbraw/zinc/94/37/16/928943716.db2.gz YMSICIJGHCEHNG-UHFFFAOYSA-N -1 3 398.459 3.677 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)c(Cl)ccc32)s1 ZINC000752834304 929046077 /nfs/dbraw/zinc/04/60/77/929046077.db2.gz UDNOWGIDBMCBAL-JTQLQIEISA-N -1 3 379.290 3.560 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)c(Cl)ccc32)s1 ZINC000752834325 929046117 /nfs/dbraw/zinc/04/61/17/929046117.db2.gz UDNOWGIDBMCBAL-SNVBAGLBSA-N -1 3 379.290 3.560 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc([C@H](O)c3ccccn3)ccc2C)cc1C ZINC000753016148 929159535 /nfs/dbraw/zinc/15/95/35/929159535.db2.gz IRDGSSKZGHZYJB-NRFANRHFSA-N -1 3 382.485 3.889 20 0 GHADHM CC1([C@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)OCCO1 ZINC000753323375 929303308 /nfs/dbraw/zinc/30/33/08/929303308.db2.gz BGHLMYKMNSBHTD-INIZCTEOSA-N -1 3 383.444 3.800 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1OC[C@@H]1CCCO1 ZINC000467715267 929332089 /nfs/dbraw/zinc/33/20/89/929332089.db2.gz QTJDKJGGNLBRLK-INIZCTEOSA-N -1 3 399.397 3.587 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1OC[C@H]1CCCO1 ZINC000467715268 929332356 /nfs/dbraw/zinc/33/23/56/929332356.db2.gz QTJDKJGGNLBRLK-MRXNPFEDSA-N -1 3 399.397 3.587 20 0 GHADHM CCc1nc2cc(S(=O)(=O)[N-][C@H](C3CCCC3)C(F)(F)F)ccc2o1 ZINC000544667043 929408045 /nfs/dbraw/zinc/40/80/45/929408045.db2.gz WFMKWCJICNWLCR-OAHLLOKOSA-N -1 3 376.400 3.790 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cc(F)ccc1F ZINC000544720081 929496016 /nfs/dbraw/zinc/49/60/16/929496016.db2.gz KBRLSYZPDQKWEI-NSHDSACASA-N -1 3 380.210 3.750 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)ccc1F ZINC000469287296 929763471 /nfs/dbraw/zinc/76/34/71/929763471.db2.gz QTPXZCLTVLURPJ-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000757715470 929780975 /nfs/dbraw/zinc/78/09/75/929780975.db2.gz KQHKIIHJAQVSHA-UHFFFAOYSA-N -1 3 398.640 3.912 20 0 GHADHM CCc1noc([C@@H](C)OC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000757726983 929784647 /nfs/dbraw/zinc/78/46/47/929784647.db2.gz QVWPVGAEPQCHCS-SECBINFHSA-N -1 3 391.225 3.703 20 0 GHADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000546148184 929906232 /nfs/dbraw/zinc/90/62/32/929906232.db2.gz UIWUSOXFKFHODY-UHFFFAOYSA-N -1 3 396.516 3.641 20 0 GHADHM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1ccc(OC(F)F)c(Cl)c1 ZINC000546172239 929926975 /nfs/dbraw/zinc/92/69/75/929926975.db2.gz IYSQVJTXHAKDBY-UHFFFAOYSA-N -1 3 379.734 3.705 20 0 GHADHM CCOc1cccc([C@@H](CC)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000759422112 930363887 /nfs/dbraw/zinc/36/38/87/930363887.db2.gz SGJYKJRHQXOIJJ-GOSISDBHSA-N -1 3 377.462 3.765 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CSc3ccncc3)nc(=O)c2c1C ZINC000759605724 930423001 /nfs/dbraw/zinc/42/30/01/930423001.db2.gz OHJCTMUUWYELSC-SNVBAGLBSA-N -1 3 375.475 3.805 20 0 GHADHM COC(C)(C)CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000759696383 930456517 /nfs/dbraw/zinc/45/65/17/930456517.db2.gz WRKDOHPIYVAAAF-UHFFFAOYSA-N -1 3 395.452 3.598 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(C(F)F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000780803060 930601029 /nfs/dbraw/zinc/60/10/29/930601029.db2.gz WYKIIVZSPZICBS-SNVBAGLBSA-N -1 3 397.378 3.853 20 0 GHADHM Cc1cccc(N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000780945535 930647072 /nfs/dbraw/zinc/64/70/72/930647072.db2.gz YATWGGOSGFCUJP-HXUWFJFHSA-N -1 3 389.455 3.620 20 0 GHADHM CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000780965861 930654620 /nfs/dbraw/zinc/65/46/20/930654620.db2.gz VNAFQPYJSMFGJZ-MGPUTAFESA-N -1 3 396.459 3.568 20 0 GHADHM COc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1OCC(C)C ZINC000781822981 930994156 /nfs/dbraw/zinc/99/41/56/930994156.db2.gz DNOPRLPLXGPJIX-UHFFFAOYSA-N -1 3 398.415 3.843 20 0 GHADHM CC(=O)[C@@H]1C[C@H](CC(=O)[N-]OCc2ccc(F)cc2Br)C1(C)C ZINC000781882963 931009712 /nfs/dbraw/zinc/00/97/12/931009712.db2.gz ZGVNZJWGTYNVQB-OCCSQVGLSA-N -1 3 386.261 3.777 20 0 GHADHM CCCc1nnc([N-]C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)s1 ZINC000782204847 931121248 /nfs/dbraw/zinc/12/12/48/931121248.db2.gz NGDXBYDPYBOWBT-UHFFFAOYSA-N -1 3 383.499 3.855 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783081771 931404908 /nfs/dbraw/zinc/40/49/08/931404908.db2.gz AFTOCWQABDYCRV-UHFFFAOYSA-N -1 3 396.399 3.547 20 0 GHADHM O=C(CNc1cccc(C(F)(F)F)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783641937 931604452 /nfs/dbraw/zinc/60/44/52/931604452.db2.gz LKGULSYJFQBNEN-UHFFFAOYSA-N -1 3 393.321 3.616 20 0 GHADHM Cc1cc(C)c(C)c(OCCC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783657718 931610196 /nfs/dbraw/zinc/61/01/96/931610196.db2.gz WRJCSTOMOFUIME-UHFFFAOYSA-N -1 3 382.416 3.880 20 0 GHADHM CC[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccs1 ZINC000697557595 931667367 /nfs/dbraw/zinc/66/73/67/931667367.db2.gz NOSSKWYYDQQRHK-ZDUSSCGKSA-N -1 3 378.498 3.509 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccccc1Cl ZINC000697591883 931687124 /nfs/dbraw/zinc/68/71/24/931687124.db2.gz MPTLKTWATRRNFM-GFCCVEGCSA-N -1 3 392.887 3.711 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000558091373 931836580 /nfs/dbraw/zinc/83/65/80/931836580.db2.gz JNRXCHJGGOSHEP-JTQLQIEISA-N -1 3 379.734 3.561 20 0 GHADHM O=C1CCCc2ccc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)(F)F)cc21 ZINC000558471849 932022107 /nfs/dbraw/zinc/02/21/07/932022107.db2.gz ZQJFOUDITQOZAN-QGZVFWFLSA-N -1 3 383.391 3.788 20 0 GHADHM COc1ccccc1C(=O)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000558546129 932063947 /nfs/dbraw/zinc/06/39/47/932063947.db2.gz GKOXGODZGXZWAY-UHFFFAOYSA-N -1 3 390.226 3.635 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000558702571 932177168 /nfs/dbraw/zinc/17/71/68/932177168.db2.gz IETXFQXUHBLGER-UHFFFAOYSA-N -1 3 377.448 3.647 20 0 GHADHM CC(C)(C)c1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000558889167 932294015 /nfs/dbraw/zinc/29/40/15/932294015.db2.gz MXEALBNITWLJIH-UHFFFAOYSA-N -1 3 388.899 3.988 20 0 GHADHM CC(C)c1ccc([C@H](NCc2nc3c(c(=O)[n-]2)COCC3)c2cccnc2)cc1 ZINC000926813763 932316493 /nfs/dbraw/zinc/31/64/93/932316493.db2.gz RAMOQTCHFIZDRE-QFIPXVFZSA-N -1 3 390.487 3.653 20 0 GHADHM CCCC[C@H](CCC)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798434518 932646416 /nfs/dbraw/zinc/64/64/16/932646416.db2.gz VLADAMYPXVCCQM-AWEZNQCLSA-N -1 3 379.467 3.693 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC000777668992 932786913 /nfs/dbraw/zinc/78/69/13/932786913.db2.gz VKVPWJZZKOKCJC-UHFFFAOYSA-N -1 3 391.493 3.902 20 0 GHADHM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799022165 932854019 /nfs/dbraw/zinc/85/40/19/932854019.db2.gz CBYNUXWHLVDDEG-TWGQIWQCSA-N -1 3 396.453 3.914 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023817 932854479 /nfs/dbraw/zinc/85/44/79/932854479.db2.gz HEVCGFQJPXBYRU-ZBFHGGJFSA-N -1 3 396.453 3.893 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nnn(-c2cccc3ncccc32)c1C ZINC000928787912 933105162 /nfs/dbraw/zinc/10/51/62/933105162.db2.gz RUZOHORMVDXZOU-UHFFFAOYSA-N -1 3 376.420 3.796 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1[O-] ZINC000560552519 933336739 /nfs/dbraw/zinc/33/67/39/933336739.db2.gz RYUNYAVFYVNRBP-UHFFFAOYSA-N -1 3 390.395 3.738 20 0 GHADHM [O-]c1cccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1Br ZINC000560603948 933378749 /nfs/dbraw/zinc/37/87/49/933378749.db2.gz QQMJIRHSFJFKIS-CYBMUJFWSA-N -1 3 390.199 3.997 20 0 GHADHM CC(C)c1ccc(NC(=S)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001116241907 933431146 /nfs/dbraw/zinc/43/11/46/933431146.db2.gz FIXXUGAQUAIBBE-UHFFFAOYSA-N -1 3 395.525 3.807 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(OCc2ccccc2)CC1 ZINC000929577435 933521172 /nfs/dbraw/zinc/52/11/72/933521172.db2.gz FVXMMRMYYOUGPF-UHFFFAOYSA-N -1 3 398.409 3.628 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)c1 ZINC000560888560 933654029 /nfs/dbraw/zinc/65/40/29/933654029.db2.gz MZADVSOIEHKYSB-UHFFFAOYSA-N -1 3 393.852 3.953 20 0 GHADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C)c1ccc(OC)c(Cl)c1 ZINC001116630301 933672517 /nfs/dbraw/zinc/67/25/17/933672517.db2.gz BWVXLQCQNJGIAJ-INIZCTEOSA-N -1 3 397.805 3.779 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001116747558 933734135 /nfs/dbraw/zinc/73/41/35/933734135.db2.gz CQUMEOIJKJYLHA-UHFFFAOYSA-N -1 3 381.398 3.536 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC[C@H]1CCOC1 ZINC000828723941 934561309 /nfs/dbraw/zinc/56/13/09/934561309.db2.gz HIFPKVMOKUKJSO-LAUBAEHRSA-N -1 3 397.471 3.613 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NOC2CCC2)cc1 ZINC000931621221 934647436 /nfs/dbraw/zinc/64/74/36/934647436.db2.gz SZNLBLWURBZXFV-UHFFFAOYSA-N -1 3 389.477 3.710 20 0 GHADHM O=C(Nc1cccc(C2CCCCC2)c1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931988205 934792189 /nfs/dbraw/zinc/79/21/89/934792189.db2.gz JURMIGZFQCGDOD-GOSISDBHSA-N -1 3 381.480 3.630 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@]3(C)c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001123423223 935189925 /nfs/dbraw/zinc/18/99/25/935189925.db2.gz GGKZJGPFBOFWKF-QFIPXVFZSA-N -1 3 390.491 3.675 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC001123687643 935252765 /nfs/dbraw/zinc/25/27/65/935252765.db2.gz PHBNHZKFNIXUJS-YLJYHZDGSA-N -1 3 398.434 3.648 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@H](C)c3ccc4ccccc4c3)C2)n1 ZINC001123998540 935328060 /nfs/dbraw/zinc/32/80/60/935328060.db2.gz CTQFUSXNEOJNMJ-OXJNMPFZSA-N -1 3 390.487 3.533 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001124127349 935346381 /nfs/dbraw/zinc/34/63/81/935346381.db2.gz NIJGTWWXLNADPM-LJQANCHMSA-N -1 3 394.519 3.502 20 0 GHADHM CC(=O)Nc1ccc2c(COC(=O)c3cc(Cl)c(Cl)[n-]3)cc(=O)oc2c1 ZINC000828620164 935677317 /nfs/dbraw/zinc/67/73/17/935677317.db2.gz PEIJSVHVWHNWLJ-UHFFFAOYSA-N -1 3 395.198 3.743 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](CC)NC(=O)OC(C)(C)C)nc2)n1 ZINC000828638042 935681469 /nfs/dbraw/zinc/68/14/69/935681469.db2.gz CDMIRPXIIBTXAJ-OAHLLOKOSA-N -1 3 387.484 3.522 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC001137748140 935767276 /nfs/dbraw/zinc/76/72/76/935767276.db2.gz QOWWPCSFUVWFEB-UHFFFAOYSA-N -1 3 393.443 3.904 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c1 ZINC000829120190 935770030 /nfs/dbraw/zinc/77/00/30/935770030.db2.gz QQTDFIVMLVWAJZ-DZGCQCFKSA-N -1 3 397.475 3.839 20 0 GHADHM CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])c1 ZINC001137939841 935881990 /nfs/dbraw/zinc/88/19/90/935881990.db2.gz UHIAJMVNHALIPD-UHFFFAOYSA-N -1 3 390.367 3.529 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829957559 935885424 /nfs/dbraw/zinc/88/54/24/935885424.db2.gz QOIMNBNVSKAFGW-UHFFFAOYSA-N -1 3 383.473 3.738 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cnn1C1CCOCC1 ZINC000830028311 935892149 /nfs/dbraw/zinc/89/21/49/935892149.db2.gz IVRKKUNOFCPZGB-FLIBITNWSA-N -1 3 381.885 3.609 20 0 GHADHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC001137992874 935913627 /nfs/dbraw/zinc/91/36/27/935913627.db2.gz RSWMYCVZISMBCL-UHFFFAOYSA-N -1 3 399.516 3.569 20 0 GHADHM CCOc1nnc(NC(=O)c2ccccc2SCc2csc(C)n2)[n-]1 ZINC000830396980 935939887 /nfs/dbraw/zinc/93/98/87/935939887.db2.gz BUOYWMBLNQQSNZ-UHFFFAOYSA-N -1 3 375.479 3.513 20 0 GHADHM CCOc1nc(NC(=O)c2ccccc2SCc2csc(C)n2)n[n-]1 ZINC000830396980 935939892 /nfs/dbraw/zinc/93/98/92/935939892.db2.gz BUOYWMBLNQQSNZ-UHFFFAOYSA-N -1 3 375.479 3.513 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2ccccc2SCc2csc(C)n2)n1 ZINC000830396980 935939899 /nfs/dbraw/zinc/93/98/99/935939899.db2.gz BUOYWMBLNQQSNZ-UHFFFAOYSA-N -1 3 375.479 3.513 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(C(F)(F)F)cnc1Cl ZINC000830424555 935943141 /nfs/dbraw/zinc/94/31/41/935943141.db2.gz FLLMYKHIHHMJRG-MRVPVSSYSA-N -1 3 378.763 3.709 20 0 GHADHM CC(=O)c1cccc(CNc2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)c1 ZINC001573555223 946906090 /nfs/dbraw/zinc/90/60/90/946906090.db2.gz HDVNNIGMDOSQTB-UHFFFAOYSA-N -1 3 378.823 3.883 20 0 GHADHM CC(=O)c1cccc(CNc2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)c1 ZINC001573555223 946906096 /nfs/dbraw/zinc/90/60/96/946906096.db2.gz HDVNNIGMDOSQTB-UHFFFAOYSA-N -1 3 378.823 3.883 20 0 GHADHM O=C(C=Cc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525060328 948538805 /nfs/dbraw/zinc/53/88/05/948538805.db2.gz WAUCUMAMRRRWTC-RJRFIUFISA-N -1 3 378.194 3.965 20 0 GHADHM O=C(C=Cc1cc(Cl)cc(Cl)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525060328 948538810 /nfs/dbraw/zinc/53/88/10/948538810.db2.gz WAUCUMAMRRRWTC-RJRFIUFISA-N -1 3 378.194 3.965 20 0 GHADHM CC(C(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C)=C1CCC1 ZINC001573755899 948785445 /nfs/dbraw/zinc/78/54/45/948785445.db2.gz URIWWFNJMXKKLH-UHFFFAOYSA-N -1 3 376.420 3.801 20 0 GHADHM CC(C(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C)=C1CCC1 ZINC001573755899 948785461 /nfs/dbraw/zinc/78/54/61/948785461.db2.gz URIWWFNJMXKKLH-UHFFFAOYSA-N -1 3 376.420 3.801 20 0 GHADHM C[C@H](C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC001573756471 948819463 /nfs/dbraw/zinc/81/94/63/948819463.db2.gz SIMNBRMBXVFPKO-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC001573756471 948819482 /nfs/dbraw/zinc/81/94/82/948819482.db2.gz SIMNBRMBXVFPKO-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001575502192 949018828 /nfs/dbraw/zinc/01/88/28/949018828.db2.gz IITSWEMIQKOTEX-CYBMUJFWSA-N -1 3 397.479 3.678 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001575502192 949018846 /nfs/dbraw/zinc/01/88/46/949018846.db2.gz IITSWEMIQKOTEX-CYBMUJFWSA-N -1 3 397.479 3.678 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001574092585 949069754 /nfs/dbraw/zinc/06/97/54/949069754.db2.gz SABADQUZGRFTGG-KDOFPFPSSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001574092585 949069776 /nfs/dbraw/zinc/06/97/76/949069776.db2.gz SABADQUZGRFTGG-KDOFPFPSSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788793 949213088 /nfs/dbraw/zinc/21/30/88/949213088.db2.gz XXOFJFSWJTZANY-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788793 949213105 /nfs/dbraw/zinc/21/31/05/949213105.db2.gz XXOFJFSWJTZANY-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@@H]1C ZINC001576152667 949257481 /nfs/dbraw/zinc/25/74/81/949257481.db2.gz KDEVYEJYOQIKAF-QINHECLXSA-N -1 3 394.523 3.738 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@@H]1C ZINC001576152667 949257503 /nfs/dbraw/zinc/25/75/03/949257503.db2.gz KDEVYEJYOQIKAF-QINHECLXSA-N -1 3 394.523 3.738 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC001589606210 949271824 /nfs/dbraw/zinc/27/18/24/949271824.db2.gz DKNSDOPOAUNGEL-IBGZPJMESA-N -1 3 376.478 3.601 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575264615 949427907 /nfs/dbraw/zinc/42/79/07/949427907.db2.gz PMIIUDNNEIEKMK-RYGJVYDSSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575264615 949427922 /nfs/dbraw/zinc/42/79/22/949427922.db2.gz PMIIUDNNEIEKMK-RYGJVYDSSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1ccc(F)cc1F ZINC001574950483 949539469 /nfs/dbraw/zinc/53/94/69/949539469.db2.gz POBTWBUBLHTWQH-NSHDSACASA-N -1 3 398.417 3.948 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1ccc(F)cc1F ZINC001574950483 949539483 /nfs/dbraw/zinc/53/94/83/949539483.db2.gz POBTWBUBLHTWQH-NSHDSACASA-N -1 3 398.417 3.948 20 0 GHADHM CC(C)C[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001574144258 949904906 /nfs/dbraw/zinc/90/49/06/949904906.db2.gz MQMNSGDOWHXOAW-HNNXBMFYSA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)C[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001574144258 949904925 /nfs/dbraw/zinc/90/49/25/949904925.db2.gz MQMNSGDOWHXOAW-HNNXBMFYSA-N -1 3 379.464 3.610 20 0 GHADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001576179761 949923722 /nfs/dbraw/zinc/92/37/22/949923722.db2.gz LRKKOSNQPHNPQL-RZTDZLQYSA-N -1 3 387.487 3.800 20 0 GHADHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001576179761 949923737 /nfs/dbraw/zinc/92/37/37/949923737.db2.gz LRKKOSNQPHNPQL-RZTDZLQYSA-N -1 3 387.487 3.800 20 0 GHADHM CC(C)(C)CC(C)(C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001573839337 950129356 /nfs/dbraw/zinc/12/93/56/950129356.db2.gz RLGFYHYZHWQXIR-UHFFFAOYSA-N -1 3 375.542 3.679 20 0 GHADHM CC(C)(C)CC(C)(C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001573839337 950129371 /nfs/dbraw/zinc/12/93/71/950129371.db2.gz RLGFYHYZHWQXIR-UHFFFAOYSA-N -1 3 375.542 3.679 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1-c1nnn[n-]1 ZINC001573876996 950687764 /nfs/dbraw/zinc/68/77/64/950687764.db2.gz ZWNITVSUHQVDLE-GZBFAFLISA-N -1 3 384.484 3.602 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1-c1nn[n-]n1 ZINC001573876996 950687779 /nfs/dbraw/zinc/68/77/79/950687779.db2.gz ZWNITVSUHQVDLE-GZBFAFLISA-N -1 3 384.484 3.602 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)C=CCOc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217895 950772936 /nfs/dbraw/zinc/77/29/36/950772936.db2.gz OVGYPJZQSULHAN-DMTLFAOVSA-N -1 3 395.488 3.627 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)/C=C\COc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217895 950772950 /nfs/dbraw/zinc/77/29/50/950772950.db2.gz OVGYPJZQSULHAN-DMTLFAOVSA-N -1 3 395.488 3.627 20 0 GHADHM CC(C)(C)c1csc(COc2ccc(Br)c(-c3nnn[n-]3)c2)n1 ZINC001573884044 950781867 /nfs/dbraw/zinc/78/18/67/950781867.db2.gz DUHHPNRVYQTAAT-UHFFFAOYSA-N -1 3 394.298 3.962 20 0 GHADHM CC(C)(C)c1csc(COc2ccc(Br)c(-c3nn[n-]n3)c2)n1 ZINC001573884044 950781884 /nfs/dbraw/zinc/78/18/84/950781884.db2.gz DUHHPNRVYQTAAT-UHFFFAOYSA-N -1 3 394.298 3.962 20 0 GHADHM CC(C)(CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)cc1 ZINC001573893816 950903467 /nfs/dbraw/zinc/90/34/67/950903467.db2.gz XZKGVMPFVXAVKJ-UHFFFAOYSA-N -1 3 393.466 3.865 20 0 GHADHM CC(C)(CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)cc1 ZINC001573893816 950903486 /nfs/dbraw/zinc/90/34/86/950903486.db2.gz XZKGVMPFVXAVKJ-UHFFFAOYSA-N -1 3 393.466 3.865 20 0 GHADHM CC(F)(F)C(C)(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001575215625 952568991 /nfs/dbraw/zinc/56/89/91/952568991.db2.gz WNVXXPUHKACFQN-UHFFFAOYSA-N -1 3 391.447 3.893 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001593695285 954067851 /nfs/dbraw/zinc/06/78/51/954067851.db2.gz IWTNGYOZGYKEOC-CQSZACIVSA-N -1 3 397.809 3.741 20 0 GHADHM Cc1cc(CN2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)cs1 ZINC001594303057 957927777 /nfs/dbraw/zinc/92/77/77/957927777.db2.gz HXOSZYSBBWNQGQ-HNNXBMFYSA-N -1 3 382.526 3.590 20 0 GHADHM Cc1ccc(C2CCN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)CC2)cn1 ZINC001594353685 958387731 /nfs/dbraw/zinc/38/77/31/958387731.db2.gz GAWXKUVUWZFTSS-LJQANCHMSA-N -1 3 383.492 3.664 20 0 GHADHM C[C@H](c1nc(Cc2ccccc2)no1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573642962 959624678 /nfs/dbraw/zinc/62/46/78/959624678.db2.gz LTMZYCYRFUXQBL-AYOQOUSVSA-N -1 3 377.444 3.522 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588815811 961575372 /nfs/dbraw/zinc/57/53/72/961575372.db2.gz YZDKSUWALLLOQF-FQEVSTJZSA-N -1 3 383.492 3.592 20 0 GHADHM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001356625914 962745247 /nfs/dbraw/zinc/74/52/47/962745247.db2.gz BDCWZZJNMWWKDD-ICSRJNTNSA-N -1 3 387.524 3.500 20 0 GHADHM CC(C)n1ncc2cc(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cnc21 ZINC000277406374 962852276 /nfs/dbraw/zinc/85/22/76/962852276.db2.gz SEEOZEHZVYRJKV-MRXNPFEDSA-N -1 3 376.819 3.720 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cc(Br)c(Cl)s1)O2 ZINC001605988265 973047580 /nfs/dbraw/zinc/04/75/80/973047580.db2.gz WPYMAMNCVJIVHC-ZYTOWTHASA-N -1 3 394.718 3.666 20 0 GHADHM O=C([O-])CN1CCCC[C@@H](NCc2ccc(-c3ccccc3Cl)s2)C1=O ZINC001606259309 973619298 /nfs/dbraw/zinc/61/92/98/973619298.db2.gz PMNMILBOVXHDKY-MRXNPFEDSA-N -1 3 392.908 3.624 20 0 GHADHM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1oncc1C(=O)[O-] ZINC000569251050 974688091 /nfs/dbraw/zinc/68/80/91/974688091.db2.gz HQHWLLNAWSNWAS-UHFFFAOYSA-N -1 3 386.427 3.747 20 0 GHADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001625864527 1014252550 /nfs/dbraw/zinc/25/25/50/1014252550.db2.gz XGJCQENWZLBMPJ-BBATYDOGSA-N -1 3 377.282 3.989 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC001591781001 975949488 /nfs/dbraw/zinc/94/94/88/975949488.db2.gz PNUQUTJBQKOHRT-SMDDNHRTSA-N -1 3 389.370 3.858 20 0 GHADHM C[C@@H]([C@H](Oc1nc[n-]c(=O)c1Br)c1ccccc1)N1CCCC1 ZINC001226719799 1032090905 /nfs/dbraw/zinc/09/09/05/1032090905.db2.gz UTCBKUQLVBUEBS-WFASDCNBSA-N -1 3 378.270 3.549 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(I)cc2[O-])s1 ZINC001154100622 1031926648 /nfs/dbraw/zinc/92/66/48/1031926648.db2.gz LOZXDCWSPREMDA-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592273579 977543880 /nfs/dbraw/zinc/54/38/80/977543880.db2.gz CZEDDJPYMLQGBS-GFCCVEGCSA-N -1 3 387.867 3.818 20 0 GHADHM CC[C@@](NC[C@H]1CN(c2ccccc2)C(=O)O1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595294450 980409206 /nfs/dbraw/zinc/40/92/06/980409206.db2.gz ZSQDLGNPGCRXJD-PXNSSMCTSA-N -1 3 388.851 3.645 20 0 GHADHM CC[C@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C(C)(C)c1ccccc1 ZINC001595305824 980451856 /nfs/dbraw/zinc/45/18/56/980451856.db2.gz MZGAAQYROYSZQW-SFHVURJKSA-N -1 3 379.460 3.880 20 0 GHADHM O=C([O-])c1cnc([C@@H]2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)s1 ZINC000903925127 981042447 /nfs/dbraw/zinc/04/24/47/981042447.db2.gz SKQNNSYSMNIXAO-RNCFNFMXSA-N -1 3 387.288 3.671 20 0 GHADHM CCOc1ccc(CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C(C)C)cc1 ZINC001626033739 1014815779 /nfs/dbraw/zinc/81/57/79/1014815779.db2.gz OWSHZEYYTABILI-UHFFFAOYSA-N -1 3 398.503 3.656 20 0 GHADHM CCCCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1(C)C ZINC001595770441 982508780 /nfs/dbraw/zinc/50/87/80/982508780.db2.gz IFBXCGJBQQOODJ-MELADBBJSA-N -1 3 382.526 3.655 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836873 982744985 /nfs/dbraw/zinc/74/49/85/982744985.db2.gz OIXFWDZOLXIOHC-PXNSSMCTSA-N -1 3 395.931 3.619 20 0 GHADHM CCN(C(=O)Nc1cccc(C(=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596157842 983519393 /nfs/dbraw/zinc/51/93/93/983519393.db2.gz GSOMQQLXFNTWBG-GOSISDBHSA-N -1 3 381.476 3.822 20 0 GHADHM CCN(CC)C(=O)CCC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001596243447 983643177 /nfs/dbraw/zinc/64/31/77/983643177.db2.gz LQKDVJPUAXDNLO-UHFFFAOYSA-N -1 3 380.916 3.899 20 0 GHADHM CCO[C@H]1C[C@H](NCc2cc(OC)c(C(=O)[O-])cc2Br)C12CCC2 ZINC001596840665 985525872 /nfs/dbraw/zinc/52/58/72/985525872.db2.gz ZYMKXLSRLJMQLF-HOTGVXAUSA-N -1 3 398.297 3.593 20 0 GHADHM C[C@@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594547748 986230475 /nfs/dbraw/zinc/23/04/75/986230475.db2.gz NWUVXVVXVWXLRJ-ZBFHGGJFSA-N -1 3 384.476 3.733 20 0 GHADHM CCOc1c(Cl)cc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1OC ZINC001596987350 986266594 /nfs/dbraw/zinc/26/65/94/986266594.db2.gz WZGBCSFKYWEPMF-LJQANCHMSA-N -1 3 378.856 3.622 20 0 GHADHM CCSc1ccc(CN[C@](C)(COC)CC(=O)[O-])c(Br)c1 ZINC001597272537 987322279 /nfs/dbraw/zinc/32/22/79/987322279.db2.gz KDZWFJVPVXLKIX-HNNXBMFYSA-N -1 3 376.316 3.531 20 0 GHADHM CCc1[nH]c(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001597354932 987499019 /nfs/dbraw/zinc/49/90/19/987499019.db2.gz SBYXDAXXIIQBDZ-SFHVURJKSA-N -1 3 397.519 3.709 20 0 GHADHM CCc1[nH]c(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC001597383308 987582523 /nfs/dbraw/zinc/58/25/23/987582523.db2.gz DGCKYFPEXFALRS-UHFFFAOYSA-N -1 3 393.528 3.744 20 0 GHADHM CS[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001599790545 987999579 /nfs/dbraw/zinc/99/95/79/987999579.db2.gz ITHPDDRDMOPAKZ-LBPRGKRZSA-N -1 3 386.304 3.815 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001589992471 988903192 /nfs/dbraw/zinc/90/31/92/988903192.db2.gz UQPFAAKVMPZEEI-MRXNPFEDSA-N -1 3 386.448 3.744 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccsc1C(=O)[O-])C2 ZINC001590002514 988919368 /nfs/dbraw/zinc/91/93/68/988919368.db2.gz ADVMFJVNICANRY-IBGZPJMESA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3c4ccccc4[nH]c3C(=O)[O-])C2)C1 ZINC001590026113 989023228 /nfs/dbraw/zinc/02/32/28/989023228.db2.gz ORDOJDBZDDMQNJ-UHFFFAOYSA-N -1 3 399.491 3.699 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1(C)C ZINC001590146727 989420498 /nfs/dbraw/zinc/42/04/98/989420498.db2.gz DVTLSDANJWBRMC-QGZVFWFLSA-N -1 3 399.491 3.668 20 0 GHADHM CC(C)(C)c1ccc(C2CCN([C@@H]3CCCN(CCC(=O)[O-])C3=O)CC2)cc1 ZINC001590479474 990052864 /nfs/dbraw/zinc/05/28/64/990052864.db2.gz BRVJRRAHIGJTRV-HXUWFJFHSA-N -1 3 386.536 3.629 20 0 GHADHM CN(C)C(=O)Sc1cccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001598145958 990620077 /nfs/dbraw/zinc/62/00/77/990620077.db2.gz UWMSGKLTHCCZEQ-CYBMUJFWSA-N -1 3 391.518 3.605 20 0 GHADHM COc1ccccc1OCCCNCc1ccc(C(=O)[O-])cc1Br ZINC001599716268 991460723 /nfs/dbraw/zinc/46/07/23/991460723.db2.gz GYTFIFUMFJCWOF-UHFFFAOYSA-N -1 3 394.265 3.715 20 0 GHADHM CN(CCN(C)[C@H](C(=O)[O-])c1ccc(Br)s1)Cc1ccccc1 ZINC001598486391 992213202 /nfs/dbraw/zinc/21/32/02/992213202.db2.gz OGPPNEKCAKIISQ-INIZCTEOSA-N -1 3 397.338 3.700 20 0 GHADHM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598534110 992829327 /nfs/dbraw/zinc/82/93/27/992829327.db2.gz OSLKLCFCECPDQE-OALUTQOASA-N -1 3 397.425 3.937 20 0 GHADHM COc1cccc(-c2nc(CNC3(CC(=O)[O-])CCCC3)cs2)c1OC ZINC001599638649 994325888 /nfs/dbraw/zinc/32/58/88/994325888.db2.gz CUWKSIXJOMMLCI-UHFFFAOYSA-N -1 3 376.478 3.704 20 0 GHADHM C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1cc(C(=O)[O-])cs1 ZINC001593288515 994658287 /nfs/dbraw/zinc/65/82/87/994658287.db2.gz LBCYQASCMBGOPG-SECBINFHSA-N -1 3 398.278 3.831 20 0 GHADHM C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001593295913 994693949 /nfs/dbraw/zinc/69/39/49/994693949.db2.gz HZPJVBJLQZQFEJ-LYCJGEHHSA-N -1 3 385.460 3.792 20 0 GHADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC001593304385 994745771 /nfs/dbraw/zinc/74/57/71/994745771.db2.gz MCGRLFMKEQHXCW-LLVKDONJSA-N -1 3 382.229 3.902 20 0 GHADHM C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593316654 994812423 /nfs/dbraw/zinc/81/24/23/994812423.db2.gz JBHIZNLSCRLQBC-DYESRHJHSA-N -1 3 389.499 3.783 20 0 GHADHM COC(=O)[C@@H]1CCN(Cc2ccc(Sc3ccccc3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598802155 996148531 /nfs/dbraw/zinc/14/85/31/996148531.db2.gz FEARNXDZHRKTHL-VQIMIIECSA-N -1 3 385.485 3.676 20 0 GHADHM CC1(C)CCC[C@](NCC(=O)Nc2ccc(N3CCCCC3)cc2)(C(=O)[O-])C1 ZINC001593896407 996753895 /nfs/dbraw/zinc/75/38/95/996753895.db2.gz WQUNHJLUYVJEMO-JOCHJYFZSA-N -1 3 387.524 3.629 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C4CC4)no3)ccc2C)cc1 ZINC000545609450 1016101567 /nfs/dbraw/zinc/10/15/67/1016101567.db2.gz AKCHTEJBFMDCPL-UHFFFAOYSA-N -1 3 385.445 3.732 20 0 GHADHM COc1ccc([C@H](O)C2CCN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)cc1 ZINC001599532077 997672452 /nfs/dbraw/zinc/67/24/52/997672452.db2.gz NXTMOWAFIQJJMX-NRFANRHFSA-N -1 3 384.476 3.545 20 0 GHADHM COC(=O)c1cc(CN(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc(C(=O)[O-])c1 ZINC001598927751 997681151 /nfs/dbraw/zinc/68/11/51/997681151.db2.gz DBOHZLWMIVQOAI-UXHICEINSA-N -1 3 397.471 3.849 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)O1 ZINC001594099643 998098372 /nfs/dbraw/zinc/09/83/72/998098372.db2.gz FWWOPQHVMYQWOL-OAQYLSRUSA-N -1 3 393.483 3.785 20 0 GHADHM COc1ccc(CN2CCCN(Cc3cc(C(=O)[O-])c(C(C)C)[nH]3)CC2)cc1 ZINC001599561227 998199033 /nfs/dbraw/zinc/19/90/33/998199033.db2.gz HLOMUGHBRJOZCJ-UHFFFAOYSA-N -1 3 385.508 3.553 20 0 GHADHM COC(=O)c1cccc([C@H](C(=O)[O-])N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001598992462 998750117 /nfs/dbraw/zinc/75/01/17/998750117.db2.gz WBEQAQDMYKHONN-MRXNPFEDSA-N -1 3 381.350 3.750 20 0 GHADHM COC(=O)c1ccccc1-c1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)o1 ZINC001599003252 998836978 /nfs/dbraw/zinc/83/69/78/998836978.db2.gz OJSXIBCZFSMOEL-FQEVSTJZSA-N -1 3 391.423 3.917 20 0 GHADHM C[C@H]1CC[C@@](NCc2cccc3c2OC(F)(F)O3)(C(=O)[O-])c2ccccc21 ZINC001594321191 999234562 /nfs/dbraw/zinc/23/45/62/999234562.db2.gz OZFXRVYGPRAXIS-BUXKBTBVSA-N -1 3 375.371 3.975 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CN(C)C(C3CC3)C3CC3)c2C(=O)[O-])C1 ZINC001594441624 999627558 /nfs/dbraw/zinc/62/75/58/999627558.db2.gz GMIKZCKHVRISME-LLVKDONJSA-N -1 3 376.522 3.630 20 0 GHADHM COC(=O)c1cccc2[n-]nc(C(=O)Nc3ncc(-c4ccccc4)s3)c21 ZINC001154603268 1032208566 /nfs/dbraw/zinc/20/85/66/1032208566.db2.gz UNLMYJHNIMXKKU-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COc1ccc2cc(CC[C@H](C)Oc3[n-]c(=O)nc4nccnc43)ccc2c1 ZINC001226993871 1032225607 /nfs/dbraw/zinc/22/56/07/1032225607.db2.gz ABSPAAZQUFPESN-ZDUSSCGKSA-N -1 3 376.416 3.687 20 0 GHADHM COC(=O)c1ccc([C@H](C)Oc2cccc([O-])c2I)cc1 ZINC001227376285 1032394828 /nfs/dbraw/zinc/39/48/28/1032394828.db2.gz RJPMURQRLDHFMO-JTQLQIEISA-N -1 3 398.196 3.923 20 0 GHADHM [O-]c1cccc(OC[C@H]2CCc3ccccc3O2)c1I ZINC001227376163 1032395207 /nfs/dbraw/zinc/39/52/07/1032395207.db2.gz QSAISZUZPHRSBC-GFCCVEGCSA-N -1 3 382.197 3.769 20 0 GHADHM COC(=O)c1ccc([O-])c(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001227820330 1032630645 /nfs/dbraw/zinc/63/06/45/1032630645.db2.gz RSYQRHPEJXXEAF-UHFFFAOYSA-N -1 3 396.365 3.640 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COc2ccc(F)cc2)c1 ZINC000561057334 1017785468 /nfs/dbraw/zinc/78/54/68/1017785468.db2.gz QJKUFVVQHUUGJN-HNNXBMFYSA-N -1 3 382.313 3.782 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3C[C@H]3C2)cc1 ZINC000931625580 1018013052 /nfs/dbraw/zinc/01/30/52/1018013052.db2.gz LCHQFNHCVXMJAO-IRXDYDNUSA-N -1 3 399.516 3.978 20 0 GHADHM O=C(Nc1ccccc1)N1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000562687071 1018536911 /nfs/dbraw/zinc/53/69/11/1018536911.db2.gz LYJBUQKJVJRCDI-OAHLLOKOSA-N -1 3 390.281 3.551 20 0 GHADHM O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1ccc(OCC(F)F)cc1 ZINC000562707999 1018558824 /nfs/dbraw/zinc/55/88/24/1018558824.db2.gz YPOCHYFBUDOBBF-AWEZNQCLSA-N -1 3 383.416 3.635 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@@H]2CCCN(C(C)C)C2)c([O-])c1 ZINC001228111328 1032788699 /nfs/dbraw/zinc/78/86/99/1032788699.db2.gz BOFMJBAXFBGKSS-GOSISDBHSA-N -1 3 399.487 3.892 20 0 GHADHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1 ZINC000563925911 1018982512 /nfs/dbraw/zinc/98/25/12/1018982512.db2.gz ZHQPUYPXNIQLHS-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM O=c1cc(C[S@](=O)Cc2csc(-c3cccs3)n2)nc(C2CC2)[n-]1 ZINC000564642890 1019097724 /nfs/dbraw/zinc/09/77/24/1019097724.db2.gz AVEJOFVPPIQCOX-DEOSSOPVSA-N -1 3 377.516 3.694 20 0 GHADHM O=S(=O)([N-]Cc1ccc2sccc2c1)c1ccc(Br)cn1 ZINC000565331696 1019177419 /nfs/dbraw/zinc/17/74/19/1019177419.db2.gz JPVPEJXYQHCJKS-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM CC(C)Cc1ccc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000155996789 1019590345 /nfs/dbraw/zinc/59/03/45/1019590345.db2.gz OQNQBPSFRSIHLV-UHFFFAOYSA-N -1 3 388.411 3.515 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000575748374 1019942724 /nfs/dbraw/zinc/94/27/24/1019942724.db2.gz CKOPDUYOJFRYIO-OXJKWZBOSA-N -1 3 387.307 3.602 20 0 GHADHM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ncccc1[O-])CC2 ZINC000577561653 1020241862 /nfs/dbraw/zinc/24/18/62/1020241862.db2.gz ZDURSAHACHGJDV-QHCPKHFHSA-N -1 3 376.456 3.952 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC2(C)C)cc1Cl ZINC000579569098 1020422395 /nfs/dbraw/zinc/42/23/95/1020422395.db2.gz JJNUTMDZHYJKQN-LLVKDONJSA-N -1 3 376.881 3.542 20 0 GHADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cccc(Cl)c1Br ZINC000191731817 1020804322 /nfs/dbraw/zinc/80/43/22/1020804322.db2.gz ZXBXSFVSKJJSGW-UHFFFAOYSA-N -1 3 377.029 3.695 20 0 GHADHM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000902120090 1021482045 /nfs/dbraw/zinc/48/20/45/1021482045.db2.gz YOUPBNNJGHBCGR-CABCVRRESA-N -1 3 382.460 3.738 20 0 GHADHM Cn1nc(C[N-]c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)o2)c2ccccc21 ZINC000902141582 1021483021 /nfs/dbraw/zinc/48/30/21/1021483021.db2.gz ZPIPNGFXZUKXMG-MRXNPFEDSA-N -1 3 398.467 3.640 20 0 GHADHM CCC(=O)c1c(O)cc([O-])cc1OC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC001228553340 1032983736 /nfs/dbraw/zinc/98/37/36/1032983736.db2.gz AYPJETCYBCIQDY-GOSISDBHSA-N -1 3 399.487 3.749 20 0 GHADHM CCOC1CC(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)C1 ZINC000802944693 1021544038 /nfs/dbraw/zinc/54/40/38/1021544038.db2.gz IXFFTXRHCREFEO-UHFFFAOYSA-N -1 3 379.254 3.811 20 0 GHADHM O=C([O-])[C@@H](CCNCc1ncc(Br)cc1Cl)Cc1ccccc1 ZINC000903993497 1021667586 /nfs/dbraw/zinc/66/75/86/1021667586.db2.gz RZCYOBWKOAZAID-ZDUSSCGKSA-N -1 3 397.700 3.921 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@@H]1CCCC1=O ZINC000748174491 1021671537 /nfs/dbraw/zinc/67/15/37/1021671537.db2.gz RUWFZQMCHWLJMW-FXAWDEMLSA-N -1 3 395.455 3.556 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)c1ccccc1 ZINC001228621525 1033012866 /nfs/dbraw/zinc/01/28/66/1033012866.db2.gz BQBVOBBMHCWKIT-IBGZPJMESA-N -1 3 381.428 3.796 20 0 GHADHM Cc1[nH]c(CN2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(C)c1C(=O)[O-] ZINC001140501077 1021875289 /nfs/dbraw/zinc/87/52/89/1021875289.db2.gz MNTABBUQPDHGHE-NRFANRHFSA-N -1 3 391.512 3.695 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cccc([O-])c3Br)CC[C@H]21 ZINC001140547814 1021949319 /nfs/dbraw/zinc/94/93/19/1021949319.db2.gz PJIVKXNBOGGAGW-ZIAGYGMSSA-N -1 3 397.313 3.596 20 0 GHADHM CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccc([O-])c2Br)O1 ZINC001140550052 1021951921 /nfs/dbraw/zinc/95/19/21/1021951921.db2.gz AAXVGBWGMFGXST-JFIYKMOQSA-N -1 3 398.341 3.949 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC001140551108 1021952674 /nfs/dbraw/zinc/95/26/74/1021952674.db2.gz UPKSCFSMYFLJJA-ZDUSSCGKSA-N -1 3 385.302 3.644 20 0 GHADHM O=C(Nc1c([O-])cccc1F)[C@H]1CC[C@H](C(=O)Nc2c(O)cccc2F)CC1 ZINC000679240048 1021976440 /nfs/dbraw/zinc/97/64/40/1021976440.db2.gz VEWNWRQQGVJGDR-HAQNSBGRSA-N -1 3 390.386 3.760 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1nccc2cc(Br)ccc21 ZINC001156446069 1033036094 /nfs/dbraw/zinc/03/60/94/1033036094.db2.gz YQWYNPFRKNWGPQ-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM CCc1cc2c(CN[C@H](c3nnc4ccccn43)C(C)C)cc(=O)oc2cc1[O-] ZINC000754189796 1022529039 /nfs/dbraw/zinc/52/90/39/1022529039.db2.gz OZBDQVABSJVAPF-NRFANRHFSA-N -1 3 392.459 3.591 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000754270592 1022572551 /nfs/dbraw/zinc/57/25/51/1022572551.db2.gz WTHXZNMQTANHGV-CLFYSBASSA-N -1 3 385.308 3.979 20 0 GHADHM CN1c2ccccc2[C@@]2(CCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001140831956 1022652937 /nfs/dbraw/zinc/65/29/37/1022652937.db2.gz VQHZENXOEFEGPX-IBGZPJMESA-N -1 3 377.271 3.819 20 0 GHADHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000754440581 1022709450 /nfs/dbraw/zinc/70/94/50/1022709450.db2.gz OXZBPOKEUAMHGZ-LLVKDONJSA-N -1 3 387.233 3.608 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000836354867 1022912456 /nfs/dbraw/zinc/91/24/56/1022912456.db2.gz OHWBSROZJLMLDB-UHFFFAOYSA-N -1 3 396.447 3.705 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn21 ZINC000836354867 1022912457 /nfs/dbraw/zinc/91/24/57/1022912457.db2.gz OHWBSROZJLMLDB-UHFFFAOYSA-N -1 3 396.447 3.705 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000836591062 1023153091 /nfs/dbraw/zinc/15/30/91/1023153091.db2.gz HBFNUXHQIMGQFM-UHFFFAOYSA-N -1 3 397.628 3.636 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(F)c(Br)cc1Cl ZINC000836591062 1023153089 /nfs/dbraw/zinc/15/30/89/1023153089.db2.gz HBFNUXHQIMGQFM-UHFFFAOYSA-N -1 3 397.628 3.636 20 0 GHADHM Cc1cc(Cl)ccc1Cc1cnc(NC([O-])=NO[C@H](CO)C(C)C)s1 ZINC000836619627 1023177630 /nfs/dbraw/zinc/17/76/30/1023177630.db2.gz FHWFGWAFMFIGGS-OAHLLOKOSA-N -1 3 383.901 3.766 20 0 GHADHM Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[N-]O[C@H](CO)C(C)C)s1 ZINC000836619627 1023177633 /nfs/dbraw/zinc/17/76/33/1023177633.db2.gz FHWFGWAFMFIGGS-OAHLLOKOSA-N -1 3 383.901 3.766 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000755440103 1023249695 /nfs/dbraw/zinc/24/96/95/1023249695.db2.gz JNRINACVQGKITL-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM CC(C)=CCN1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277331519 1033111535 /nfs/dbraw/zinc/11/15/35/1033111535.db2.gz KINVKLXSWQVMFJ-UHFFFAOYSA-N -1 3 398.334 3.875 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc3c(cc2[O-])CCC3=O)CC(F)(F)C1 ZINC001228853357 1033137497 /nfs/dbraw/zinc/13/74/97/1033137497.db2.gz IAHMEKAITPVKEF-LBPRGKRZSA-N -1 3 383.391 3.545 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1cccc(F)c1)c1cccnc1Cl ZINC000756214152 1023556775 /nfs/dbraw/zinc/55/67/75/1023556775.db2.gz HLOLVRJFGQEYKP-KRWDZBQOSA-N -1 3 376.840 3.942 20 0 GHADHM COc1ccc([C@@H](NCc2cc(C)c(OC(F)F)c(C)c2)C(=O)[O-])cc1F ZINC000756360970 1023604943 /nfs/dbraw/zinc/60/49/43/1023604943.db2.gz IVYHRAZEQBVFDE-MRXNPFEDSA-N -1 3 383.366 3.968 20 0 GHADHM O=C([N-]CCOCc1ccc(Cl)cc1Cl)C(F)(F)c1nccs1 ZINC000756531364 1023701705 /nfs/dbraw/zinc/70/17/05/1023701705.db2.gz SMZHAXGANHMKQM-UHFFFAOYSA-N -1 3 381.231 3.875 20 0 GHADHM COc1ccccc1[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccccn1 ZINC000756747493 1023797361 /nfs/dbraw/zinc/79/73/61/1023797361.db2.gz YWOUBFUHCJVFMM-OAHLLOKOSA-N -1 3 375.400 3.544 20 0 GHADHM O=C([N-][C@@H](CN1CCCC1=O)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000756949763 1023881536 /nfs/dbraw/zinc/88/15/36/1023881536.db2.gz LMPGMMOAJYREQK-INIZCTEOSA-N -1 3 394.368 3.537 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000830598751 1024010885 /nfs/dbraw/zinc/01/08/85/1024010885.db2.gz NDEDQTKZWLJGBK-MGPLVRAMSA-N -1 3 387.785 3.818 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000837120362 1024077204 /nfs/dbraw/zinc/07/72/04/1024077204.db2.gz FTKBTMCTWRZMTG-WMLDXEAASA-N -1 3 384.476 3.969 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141209264 1024136066 /nfs/dbraw/zinc/13/60/66/1024136066.db2.gz BPZWVWMCBSYKDH-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM CCc1ccc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c([O-])c1 ZINC000837156202 1024163928 /nfs/dbraw/zinc/16/39/28/1024163928.db2.gz QSIYWJBMYIKOAJ-QGZVFWFLSA-N -1 3 378.266 3.523 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(I)cc2[O-])c(C)n1 ZINC001138176337 1024306861 /nfs/dbraw/zinc/30/68/61/1024306861.db2.gz BMVFIRZJFSHTIE-UHFFFAOYSA-N -1 3 382.201 3.569 20 0 GHADHM Cc1cccc(C)c1N1CCN(Cc2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC001138197100 1024346469 /nfs/dbraw/zinc/34/64/69/1024346469.db2.gz GJSGZQRUWVHCOH-UHFFFAOYSA-N -1 3 377.488 3.665 20 0 GHADHM COC(C)(C)c1nc(C)c(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000837734263 1024670254 /nfs/dbraw/zinc/67/02/54/1024670254.db2.gz SCSCANGLZDXKFU-UHFFFAOYSA-N -1 3 399.472 3.853 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC(Oc4ccncn4)CC3)cc2)c1 ZINC001141360649 1024711322 /nfs/dbraw/zinc/71/13/22/1024711322.db2.gz FLWJTDUUSBQIRN-UHFFFAOYSA-N -1 3 389.455 3.885 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CC[C@H](Oc4ncc(F)cn4)C3)cc2)c1 ZINC001141361300 1024713765 /nfs/dbraw/zinc/71/37/65/1024713765.db2.gz XYAPBFGKFSIITM-FQEVSTJZSA-N -1 3 393.418 3.634 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC001141378409 1024778756 /nfs/dbraw/zinc/77/87/56/1024778756.db2.gz SWFJULCEYGUDAL-LIRRHRJNSA-N -1 3 384.451 3.576 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)[N-]OCCC2CC2)C1 ZINC001141420287 1024986714 /nfs/dbraw/zinc/98/67/14/1024986714.db2.gz VSUJKWIWSLUVHY-RTBURBONSA-N -1 3 388.508 3.560 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCCc3nc4ccccc4[nH]3)nc21 ZINC001161896150 1025479524 /nfs/dbraw/zinc/47/95/24/1025479524.db2.gz FRFDOIIQKRDKRW-UHFFFAOYSA-N -1 3 391.431 3.577 20 0 GHADHM COc1ccc(C)cc1NC(=O)Nc1cc(I)ccc1[O-] ZINC001202870172 1025484074 /nfs/dbraw/zinc/48/40/74/1025484074.db2.gz SVJOQBCGTFEZMY-UHFFFAOYSA-N -1 3 398.200 3.958 20 0 GHADHM CCOc1cc(CNc2ccc3c(c2)CCC(=O)N3COC)cc(Cl)c1[O-] ZINC000839032095 1025533196 /nfs/dbraw/zinc/53/31/96/1025533196.db2.gz YGXLZBLFZMJHHZ-UHFFFAOYSA-N -1 3 390.867 3.940 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000832755614 1025922497 /nfs/dbraw/zinc/92/24/97/1025922497.db2.gz APRBKVKYOKGZIK-JSGCOSHPSA-N -1 3 388.320 3.650 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000839496185 1025985055 /nfs/dbraw/zinc/98/50/55/1025985055.db2.gz FKTOFHODRHMSAF-OAHLLOKOSA-N -1 3 397.435 3.578 20 0 GHADHM O=C([O-])COc1ccc(Br)cc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001139239813 1026088295 /nfs/dbraw/zinc/08/82/95/1026088295.db2.gz CTCBUHXHQVNSOG-KGLIPLIRSA-N -1 3 382.298 3.925 20 0 GHADHM O=C([O-])COc1ccc(Br)cc1CN1CCc2ccccc2CC1 ZINC001139240947 1026089069 /nfs/dbraw/zinc/08/90/69/1026089069.db2.gz PKMLZPVUFALTAW-UHFFFAOYSA-N -1 3 390.277 3.513 20 0 GHADHM O=C([O-])COc1ccc(Br)cc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001139241683 1026089390 /nfs/dbraw/zinc/08/93/90/1026089390.db2.gz CTCBUHXHQVNSOG-ZIAGYGMSSA-N -1 3 382.298 3.925 20 0 GHADHM CCOC(=O)Cn1cnc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)n1 ZINC001461062856 1069369621 /nfs/dbraw/zinc/36/96/21/1069369621.db2.gz FBIXBNIRFPNNEY-UHFFFAOYSA-N -1 3 399.259 3.615 20 0 GHADHM CC[C@@H](C)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001165770320 1026828398 /nfs/dbraw/zinc/82/83/98/1026828398.db2.gz KEDJWDUINCWSBD-CQSZACIVSA-N -1 3 378.469 3.793 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(OCCCC)cc2)c1 ZINC001141760157 1027140889 /nfs/dbraw/zinc/14/08/89/1027140889.db2.gz OYVALDMKTACISN-UHFFFAOYSA-N -1 3 382.460 3.668 20 0 GHADHM [O-]c1c(Cl)cccc1Nc1ncc(I)nc1Cl ZINC001210219938 1027389725 /nfs/dbraw/zinc/38/97/25/1027389725.db2.gz SQOYPYRFBLWLML-UHFFFAOYSA-N -1 3 381.988 3.837 20 0 GHADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Nc3cccc(Cl)c3[O-])cc2)C[C@@H](C)O1 ZINC001210218875 1027388244 /nfs/dbraw/zinc/38/82/44/1027388244.db2.gz GTXFBPBXFDHQAU-CHWSQXEVSA-N -1 3 396.896 3.587 20 0 GHADHM O=C1C(N2CCOCC2)=CCCN1c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223847 1027391787 /nfs/dbraw/zinc/39/17/87/1027391787.db2.gz YHFJBIONMIMYRJ-UHFFFAOYSA-N -1 3 399.878 3.742 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccccc1N1CCCCC1)OCC ZINC001210961737 1027723863 /nfs/dbraw/zinc/72/38/63/1027723863.db2.gz RWTBOZVQBXVCIT-UHFFFAOYSA-N -1 3 386.496 3.858 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141949314 1027730962 /nfs/dbraw/zinc/73/09/62/1027730962.db2.gz OPZNDZSQQGWSPL-GOSISDBHSA-N -1 3 392.908 3.997 20 0 GHADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211380695 1027931925 /nfs/dbraw/zinc/93/19/25/1027931925.db2.gz YRZPIIMPTKTBFB-LBPRGKRZSA-N -1 3 376.956 3.883 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)[C@@H](O)C(F)(F)F ZINC001211388834 1027937936 /nfs/dbraw/zinc/93/79/36/1027937936.db2.gz XYCUVYGKBYLYIU-BXKDBHETSA-N -1 3 394.242 3.590 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c(-c2ccccc2)s1 ZINC001211453790 1027968182 /nfs/dbraw/zinc/96/81/82/1027968182.db2.gz QCDIRYGYKMMKHO-IEBWSBKVSA-N -1 3 392.546 3.602 20 0 GHADHM O=S(=O)([N-]CCCc1ccco1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001213237713 1028062733 /nfs/dbraw/zinc/06/27/33/1028062733.db2.gz AGYMKKRZSAVPAU-UHFFFAOYSA-N -1 3 382.894 3.968 20 0 GHADHM Cc1scc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c1C ZINC001213345242 1028125097 /nfs/dbraw/zinc/12/50/97/1028125097.db2.gz FHDQFMZWDHBGGD-UHFFFAOYSA-N -1 3 378.288 3.745 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C[C@@]2(Cc3ccccc3)C=CCCC2)s1 ZINC001213359386 1028134305 /nfs/dbraw/zinc/13/43/05/1028134305.db2.gz DZSAHTKJYBCCSK-IBGZPJMESA-N -1 3 376.547 3.953 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001213405309 1028169117 /nfs/dbraw/zinc/16/91/17/1028169117.db2.gz QSKRVQSUALATJR-WMLDXEAASA-N -1 3 396.915 3.668 20 0 GHADHM CC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001213412175 1028175053 /nfs/dbraw/zinc/17/50/53/1028175053.db2.gz FAVBCVYWBBDTFZ-UHFFFAOYSA-N -1 3 380.766 3.714 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)OCCc2ccccc21 ZINC001213530283 1028243502 /nfs/dbraw/zinc/24/35/02/1028243502.db2.gz KUAMRGNRBBMYPU-QGZVFWFLSA-N -1 3 386.300 3.760 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(OCC(C)C)c1)OCC ZINC001213637650 1028306305 /nfs/dbraw/zinc/30/63/05/1028306305.db2.gz ADKUZQLKMZMMGT-UHFFFAOYSA-N -1 3 375.469 3.902 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001213711472 1028343736 /nfs/dbraw/zinc/34/37/36/1028343736.db2.gz GFBSUZBKPVZFQG-VPOLOUISSA-N -1 3 378.719 3.673 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)c1 ZINC001213907986 1028445315 /nfs/dbraw/zinc/44/53/15/1028445315.db2.gz YYMPBZKNROCGAG-IBGZPJMESA-N -1 3 389.517 3.806 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(Br)c3OC)no2)[n-]1 ZINC001213974849 1028483801 /nfs/dbraw/zinc/48/38/01/1028483801.db2.gz DFFJXGNNKJZKDI-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3OC(F)(F)F)no2)[n-]1 ZINC001213976994 1028484632 /nfs/dbraw/zinc/48/46/32/1028484632.db2.gz GOOYLXGKHOCYEB-UHFFFAOYSA-N -1 3 397.309 3.816 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)[n-]1 ZINC001213976902 1028485473 /nfs/dbraw/zinc/48/54/73/1028485473.db2.gz AWQXOQLRAJZFAX-UHFFFAOYSA-N -1 3 377.784 3.579 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2csc3ccccc32)c(F)c1 ZINC001213984088 1028490672 /nfs/dbraw/zinc/49/06/72/1028490672.db2.gz KBHOUSAIWUFEMU-NSHDSACASA-N -1 3 393.461 3.867 20 0 GHADHM O=c1[n-]c(-c2nc(-c3cnc4ccc(Br)cc4c3)no2)ccc1F ZINC001214087511 1028542093 /nfs/dbraw/zinc/54/20/93/1028542093.db2.gz AINSPXJQWXMXKW-UHFFFAOYSA-N -1 3 387.168 3.954 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC001142279573 1028561449 /nfs/dbraw/zinc/56/14/49/1028561449.db2.gz BTWLGLCWOJBORB-DZGCQCFKSA-N -1 3 395.459 3.549 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001142399760 1028810566 /nfs/dbraw/zinc/81/05/66/1028810566.db2.gz VHDKHULBSOFAQS-UHFFFAOYSA-N -1 3 398.469 3.772 20 0 GHADHM CCCOc1cc(N(C([S-])=NC(=O)OC)c2ccccc2N)c(Cl)cn1 ZINC001214736528 1028892118 /nfs/dbraw/zinc/89/21/18/1028892118.db2.gz YNMRIEVKUKZSQI-UHFFFAOYSA-N -1 3 394.884 3.885 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000841805927 1028954184 /nfs/dbraw/zinc/95/41/84/1028954184.db2.gz XVHVXSYENYTOQE-HNNXBMFYSA-N -1 3 394.855 3.668 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(C(C)=O)c(F)c1F ZINC001214991410 1028986498 /nfs/dbraw/zinc/98/64/98/1028986498.db2.gz NLZIJLDWXGJCLV-UHFFFAOYSA-N -1 3 379.388 3.529 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1ccc(C(C)=O)c(F)c1F ZINC001214991410 1028986504 /nfs/dbraw/zinc/98/65/04/1028986504.db2.gz NLZIJLDWXGJCLV-UHFFFAOYSA-N -1 3 379.388 3.529 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2ccc(F)cc2I)no1 ZINC001215141895 1029055477 /nfs/dbraw/zinc/05/54/77/1029055477.db2.gz HBOHYWYVIAZSIF-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC001215215912 1029093679 /nfs/dbraw/zinc/09/36/79/1029093679.db2.gz RGWUHNYRHMIGBK-UHFFFAOYSA-N -1 3 397.870 3.688 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC001215215912 1029093694 /nfs/dbraw/zinc/09/36/94/1029093694.db2.gz RGWUHNYRHMIGBK-UHFFFAOYSA-N -1 3 397.870 3.688 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2ccc(-n3cc(Br)cn3)cc2)no1 ZINC001215301980 1029139839 /nfs/dbraw/zinc/13/98/39/1029139839.db2.gz MQDXUTBZDNUVSN-UHFFFAOYSA-N -1 3 399.204 3.763 20 0 GHADHM COc1cc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)ncn1 ZINC001461495852 1069577423 /nfs/dbraw/zinc/57/74/23/1069577423.db2.gz NWZXKRUKFSUVID-UHFFFAOYSA-N -1 3 382.232 3.563 20 0 GHADHM CCCOc1ccc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(F)c1 ZINC001215489039 1029236919 /nfs/dbraw/zinc/23/69/19/1029236919.db2.gz PJQVCVOJYLXECY-UHFFFAOYSA-N -1 3 379.432 3.795 20 0 GHADHM CCOC(=O)c1snc(C(N)=O)c1[N-]c1c(F)c(Cl)cc(Cl)c1F ZINC001215937555 1029462644 /nfs/dbraw/zinc/46/26/44/1029462644.db2.gz RMNNDMOSHYDSIN-UHFFFAOYSA-N -1 3 396.202 3.747 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2ccccc2-c2nnn[n-]2)n1 ZINC001216014046 1029491342 /nfs/dbraw/zinc/49/13/42/1029491342.db2.gz DUONLWNLGHEFGW-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2ccccc2-c2nn[n-]n2)n1 ZINC001216014046 1029491354 /nfs/dbraw/zinc/49/13/54/1029491354.db2.gz DUONLWNLGHEFGW-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM Cc1cc(-n2c(N)c(-c3cccc(Cl)c3Cl)nnc2=N)cc(Cl)c1[O-] ZINC001216084747 1029518919 /nfs/dbraw/zinc/51/89/19/1029518919.db2.gz AEFFWZVUUWITLG-UHFFFAOYSA-N -1 3 396.665 3.970 20 0 GHADHM O=c1cc(Nc2ccc(CN3CCOCC3)c(Cl)c2)[n-]n1-c1ccccc1 ZINC001216170967 1029553076 /nfs/dbraw/zinc/55/30/76/1029553076.db2.gz ZSSAXPFHFCAFQW-UHFFFAOYSA-N -1 3 384.867 3.807 20 0 GHADHM COc1cc(C2(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)CCC2)ccc1C ZINC001142901673 1029661958 /nfs/dbraw/zinc/66/19/58/1029661958.db2.gz ZHYYSMONWNAGMX-UHFFFAOYSA-N -1 3 385.464 3.742 20 0 GHADHM COc1cc(C2(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)CCC2)ccc1C ZINC001142901673 1029661964 /nfs/dbraw/zinc/66/19/64/1029661964.db2.gz ZHYYSMONWNAGMX-UHFFFAOYSA-N -1 3 385.464 3.742 20 0 GHADHM Cc1cccc([O-])c1-c1nc(-c2nccc(I)c2F)no1 ZINC001216540288 1029677048 /nfs/dbraw/zinc/67/70/48/1029677048.db2.gz KZQAFEOXHOVYLQ-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@H](N)C(C)C)no3)cc2)cc1 ZINC000843152240 1029833344 /nfs/dbraw/zinc/83/33/44/1029833344.db2.gz QDPCJJBHLUTSBH-QGZVFWFLSA-N -1 3 386.477 3.502 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001216727255 1029907497 /nfs/dbraw/zinc/90/74/97/1029907497.db2.gz WQLVWDXLAPTCDU-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001216728679 1029907563 /nfs/dbraw/zinc/90/75/63/1029907563.db2.gz GSIDLDAGQZQBKG-UHFFFAOYSA-N -1 3 385.120 3.561 20 0 GHADHM COc1ccc(-c2nc(-c3cnc(C)cc3C(F)(F)F)no2)c([O-])c1OC ZINC001216765378 1029924514 /nfs/dbraw/zinc/92/45/14/1029924514.db2.gz JDJDYLZOQUPMDW-UHFFFAOYSA-N -1 3 381.310 3.849 20 0 GHADHM COc1cc(-c2noc(-c3ccc([O-])cc3OC)n2)ccc1Br ZINC001217085602 1030152595 /nfs/dbraw/zinc/15/25/95/1030152595.db2.gz SHVPTFGOWSUOJV-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Clc1ccc2[n-]c(-c3nc(-c4ccc(N5CCOCC5)cc4)no3)nc2c1 ZINC001217257516 1030262980 /nfs/dbraw/zinc/26/29/80/1030262980.db2.gz WYVJMPGJHQMJBW-UHFFFAOYSA-N -1 3 381.823 3.770 20 0 GHADHM Clc1ccc2nc(-c3nc(-c4ccc(N5CCOCC5)cc4)no3)[n-]c2c1 ZINC001217257516 1030262991 /nfs/dbraw/zinc/26/29/91/1030262991.db2.gz WYVJMPGJHQMJBW-UHFFFAOYSA-N -1 3 381.823 3.770 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4cncc(OC)c4)no3)c1[O-])CCCC2 ZINC001217447762 1030400791 /nfs/dbraw/zinc/40/07/91/1030400791.db2.gz VLCJWMQMNYOIMP-UHFFFAOYSA-N -1 3 395.415 3.568 20 0 GHADHM COc1cc(-c2noc(-c3c([O-])cc4ccccc4c3O)n2)cc(OC)c1OC ZINC001217453206 1030406550 /nfs/dbraw/zinc/40/65/50/1030406550.db2.gz NECGQQCOANGEJJ-UHFFFAOYSA-N -1 3 394.383 3.994 20 0 GHADHM Cn1ccc2cc(CNC(=O)c3c[n-]c4ccc(C(F)(F)F)cc4c3=O)ccc21 ZINC001150466485 1030535598 /nfs/dbraw/zinc/53/55/98/1030535598.db2.gz POAASNYVYRMSDJ-UHFFFAOYSA-N -1 3 399.372 3.969 20 0 GHADHM O=C(NCc1cc(F)cnc1Cl)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476790 1030538529 /nfs/dbraw/zinc/53/85/29/1030538529.db2.gz ISAKMPDCSJLYNL-UHFFFAOYSA-N -1 3 399.731 3.664 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001217636281 1030560649 /nfs/dbraw/zinc/56/06/49/1030560649.db2.gz DSIXOZQAFJZCOD-UHFFFAOYSA-N -1 3 398.382 3.524 20 0 GHADHM O=c1c(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218088770 1030764964 /nfs/dbraw/zinc/76/49/64/1030764964.db2.gz BRCGFXVNTUNQBI-MBSDFSHPSA-N -1 3 393.439 3.782 20 0 GHADHM O=C(Nc1cccc2[nH]c(=O)ccc12)c1nc2cc(Br)ccc2[n-]1 ZINC001151826311 1031021697 /nfs/dbraw/zinc/02/16/97/1031021697.db2.gz DLBFGSUUIXXYFJ-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(Nc1cccc2[nH]c(=O)ccc12)c1nc2ccc(Br)cc2[n-]1 ZINC001151826311 1031021714 /nfs/dbraw/zinc/02/17/14/1031021714.db2.gz DLBFGSUUIXXYFJ-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(Nc1ccc2cc[nH]c2c1)c1cc([O-])cc(I)c1 ZINC001218944939 1031169042 /nfs/dbraw/zinc/16/90/42/1031169042.db2.gz FPEWWGBBJSUBRW-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM Cc1c(Cl)cc(NC(=O)[C@@]2(N)CCc3cc(F)ccc3C2)c([O-])c1Cl ZINC001219013675 1031213077 /nfs/dbraw/zinc/21/30/77/1031213077.db2.gz WAOFMYMYHAXXSD-GOSISDBHSA-N -1 3 383.250 3.971 20 0 GHADHM Cc1ccccc1-c1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n[nH]1 ZINC001152449209 1031246060 /nfs/dbraw/zinc/24/60/60/1031246060.db2.gz RJKGZEZQBSUNFI-UHFFFAOYSA-N -1 3 380.354 3.757 20 0 GHADHM CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)c3cccc4c3[N-]C(=O)C4=O)C2)cc1 ZINC001152457828 1031249603 /nfs/dbraw/zinc/24/96/03/1031249603.db2.gz ZPMGXZPNDVWETB-OAHLLOKOSA-N -1 3 392.455 3.628 20 0 GHADHM O=C(NCc1c(Cl)ccc(Cl)c1Cl)c1cccc2c1[N-]C(=O)C2=O ZINC001152460982 1031249939 /nfs/dbraw/zinc/24/99/39/1031249939.db2.gz WHRUBBSBPWNZMB-UHFFFAOYSA-N -1 3 383.618 3.712 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C(F)(F)F)c3cc(F)ccc3n2)[n-]1 ZINC001152686798 1031325371 /nfs/dbraw/zinc/32/53/71/1031325371.db2.gz AOJQZIOQLVWNJZ-UHFFFAOYSA-N -1 3 396.300 3.545 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C(F)(F)F)c3cc(F)ccc3n2)c[n-]1 ZINC001152686798 1031325389 /nfs/dbraw/zinc/32/53/89/1031325389.db2.gz AOJQZIOQLVWNJZ-UHFFFAOYSA-N -1 3 396.300 3.545 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[n-]n1 ZINC001153263960 1031512995 /nfs/dbraw/zinc/51/29/95/1031512995.db2.gz JCLXRULDPDDJNK-SFHVURJKSA-N -1 3 377.444 3.942 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)n[n-]1 ZINC001153263960 1031513001 /nfs/dbraw/zinc/51/30/01/1031513001.db2.gz JCLXRULDPDDJNK-SFHVURJKSA-N -1 3 377.444 3.942 20 0 GHADHM O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cc([O-])cc(Br)c1 ZINC001153284983 1031521489 /nfs/dbraw/zinc/52/14/89/1031521489.db2.gz PZTNUADFRQCGEW-KRWDZBQOSA-N -1 3 386.249 3.523 20 0 GHADHM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] 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JSKVSRBLTMGWQK-MASHWEEQSA-N -1 3 390.224 3.555 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3c([O-])cc4ccccc4c3O)c(C(N)=O)c2C1 ZINC001154023640 1031880496 /nfs/dbraw/zinc/88/04/96/1031880496.db2.gz ZKUBKQJMXWBXKF-SNVBAGLBSA-N -1 3 396.468 3.789 20 0 GHADHM COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154027642 1031884225 /nfs/dbraw/zinc/88/42/25/1031884225.db2.gz ZPLJEXCUENBXPM-HNNXBMFYSA-N -1 3 393.439 3.845 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCc2nn(-c3ccccc3)cc2C1 ZINC001154026781 1031885268 /nfs/dbraw/zinc/88/52/68/1031885268.db2.gz PWGOFRPNPQMYAK-UHFFFAOYSA-N -1 3 385.423 3.635 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NC3CCC(c4ccccc4)CC3)[n-]c2c1 ZINC001154119051 1031937549 /nfs/dbraw/zinc/93/75/49/1031937549.db2.gz CPSPCUHQRRQGNK-UHFFFAOYSA-N -1 3 376.456 3.993 20 0 GHADHM COC[C@@H](C)OC[C@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492432 1031981418 /nfs/dbraw/zinc/98/14/18/1031981418.db2.gz WZVQBMYSQIOPFD-CABCVRRESA-N -1 3 384.428 3.984 20 0 GHADHM 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381.457 3.810 20 0 GHADHM CS[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1 ZINC001158344269 1034034784 /nfs/dbraw/zinc/03/47/84/1034034784.db2.gz AHNKORQKMOVOTB-SFHVURJKSA-N -1 3 381.457 3.810 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC(Oc3[n-]c(=O)nc4cccc(Cl)c43)C2)C1 ZINC001230885702 1034270379 /nfs/dbraw/zinc/27/03/79/1034270379.db2.gz MQXSCCKPTMOMNE-UHFFFAOYSA-N -1 3 391.855 3.767 20 0 GHADHM COC(=O)[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1ccccc1Cl ZINC001230885560 1034270837 /nfs/dbraw/zinc/27/08/37/1034270837.db2.gz LWQXNBZRMBYMBW-CQSZACIVSA-N -1 3 379.199 3.935 20 0 GHADHM CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063149 1034408006 /nfs/dbraw/zinc/40/80/06/1034408006.db2.gz GHBWRRCALKSBMQ-ABAIWWIYSA-N -1 3 376.457 3.537 20 0 GHADHM CCOC(=O)CC[C@H](Oc1ccccc1Oc1ccccc1[O-])C(=O)OCC ZINC001231223005 1034470639 /nfs/dbraw/zinc/47/06/39/1034470639.db2.gz NMAULMHJOALPCQ-IBGZPJMESA-N -1 3 388.416 3.838 20 0 GHADHM COC(=O)c1cc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)ccc1C 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3.951 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC001462139160 1070028018 /nfs/dbraw/zinc/02/80/18/1070028018.db2.gz SGCDSLIXYJFQOP-KRWDZBQOSA-N -1 3 397.700 3.695 20 0 GHADHM CCCC[C@H](CC)CN1CCO[C@H]2CN(Cc3sccc3C(=O)[O-])C[C@H]21 ZINC001278455425 1037483260 /nfs/dbraw/zinc/48/32/60/1037483260.db2.gz IMUYWOIZRMBCBX-JQHSSLGASA-N -1 3 380.554 3.548 20 0 GHADHM COc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)ccc1-n1cnc(C)c1 ZINC001247563997 1038250216 /nfs/dbraw/zinc/25/02/16/1038250216.db2.gz CBDVRUABGIDZIW-UHFFFAOYSA-N -1 3 380.379 3.675 20 0 GHADHM CC[C@@H]1N(Cc2ccc(F)c([O-])c2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001232935080 1038716620 /nfs/dbraw/zinc/71/66/20/1038716620.db2.gz BLVPVSLEPIWJBY-UWJYYQICSA-N -1 3 378.463 3.816 20 0 GHADHM [O-]c1c(F)ccc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1F ZINC001232936084 1038716845 /nfs/dbraw/zinc/71/68/45/1038716845.db2.gz OVPWTMBQOHTCGX-QGZVFWFLSA-N -1 3 381.463 3.716 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1cc(Cl)ncc1[O-] ZINC001233034607 1038787369 /nfs/dbraw/zinc/78/73/69/1038787369.db2.gz NIBCPRSCZDMTNU-LZWOXQAQSA-N -1 3 379.932 3.736 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001252037980 1038823444 /nfs/dbraw/zinc/82/34/44/1038823444.db2.gz IDQWAIQZVFMORV-UHFFFAOYSA-N -1 3 388.533 3.746 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(F)c1F ZINC001252043379 1038828731 /nfs/dbraw/zinc/82/87/31/1038828731.db2.gz LFTDBNBMLGTXMU-UHFFFAOYSA-N -1 3 383.416 3.850 20 0 GHADHM COC(=O)Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1C ZINC001252043382 1038829722 /nfs/dbraw/zinc/82/97/22/1038829722.db2.gz LKODZVVMGBQORC-UHFFFAOYSA-N -1 3 375.490 3.809 20 0 GHADHM [O-]c1ccc(F)c(CN2CCN(c3cccc(Br)c3)CC2)c1F ZINC001233396238 1039229557 /nfs/dbraw/zinc/22/95/57/1039229557.db2.gz RFPMMEBMAIJKNP-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM COc1ccc(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233397679 1039232282 /nfs/dbraw/zinc/23/22/82/1039232282.db2.gz IWVHLBCVKNIXQX-AWEZNQCLSA-N -1 3 384.904 3.933 20 0 GHADHM CCOc1ccccc1N1CCN(Cc2ccc(OC)c([O-])c2Cl)CC1 ZINC001233397683 1039232604 /nfs/dbraw/zinc/23/26/04/1039232604.db2.gz IXBDWTNQLOXQPX-UHFFFAOYSA-N -1 3 376.884 3.775 20 0 GHADHM CCOC(=O)Cc1ccc2c(c1)CN(Cc1ccc(OC)c([O-])c1Cl)CC2 ZINC001233397856 1039233331 /nfs/dbraw/zinc/23/33/31/1039233331.db2.gz OCBPLZWZWUQUIZ-UHFFFAOYSA-N -1 3 389.879 3.718 20 0 GHADHM COc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c(Cl)c1[O-] ZINC001233399816 1039238942 /nfs/dbraw/zinc/23/89/42/1039238942.db2.gz KSYHLADNTYBOQN-UHFFFAOYSA-N -1 3 380.916 3.669 20 0 GHADHM COc1ccc(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(Cl)c1[O-] ZINC001233400423 1039239959 /nfs/dbraw/zinc/23/99/59/1039239959.db2.gz IFDQJQXZSDNJRC-UHFFFAOYSA-N -1 3 382.888 3.543 20 0 GHADHM COCCc1ccc(OC[C@@H](O)CNc2ccc(Cl)c(Cl)c2[O-])cc1 ZINC001253060771 1039389588 /nfs/dbraw/zinc/38/95/88/1039389588.db2.gz IPSIKUNIALCMLL-ZDUSSCGKSA-N -1 3 386.275 3.740 20 0 GHADHM CCS(=O)(=O)[N-]c1cccc(Br)c1NC(=O)OC(C)(C)C ZINC001253360920 1039573458 /nfs/dbraw/zinc/57/34/58/1039573458.db2.gz FPENFHGBNAGAMQ-UHFFFAOYSA-N -1 3 379.276 3.558 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1OC ZINC001254161597 1040016246 /nfs/dbraw/zinc/01/62/46/1040016246.db2.gz XRLPZYPLUNIIMT-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM [O-]c1cc(Cl)cc(F)c1O[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC001234446935 1040038992 /nfs/dbraw/zinc/03/89/92/1040038992.db2.gz HJLHNEDMIPCNMJ-LLVKDONJSA-N -1 3 387.636 4.000 20 0 GHADHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001254213616 1040068425 /nfs/dbraw/zinc/06/84/25/1040068425.db2.gz PHVPXLQFDIJCCH-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)COC(C)(C)C ZINC001234606419 1040163601 /nfs/dbraw/zinc/16/36/01/1040163601.db2.gz BMMJWDFLKWDEPD-SNVBAGLBSA-N -1 3 375.259 3.914 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cccc([O-])c1F ZINC001254390124 1040205011 /nfs/dbraw/zinc/20/50/11/1040205011.db2.gz GQIQGLVOHIYHAU-GOSISDBHSA-N -1 3 394.402 3.737 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3nc[n-]c(=O)c3-c3ccccc3)C[C@@H]2C1 ZINC001234688077 1040221278 /nfs/dbraw/zinc/22/12/78/1040221278.db2.gz DIWORLOHXSIRRW-BJWYYQGGSA-N -1 3 397.475 3.874 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCOC[C@@H]1C)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234762907 1040291021 /nfs/dbraw/zinc/29/10/21/1040291021.db2.gz SHUZRPKEJJNEJO-KKXDTOCCSA-N -1 3 384.428 3.911 20 0 GHADHM [O-]c1c(F)ccc(CN2CCN[C@H](c3cccc(Br)c3)C2)c1F ZINC001235800708 1041305046 /nfs/dbraw/zinc/30/50/46/1041305046.db2.gz PAHFQCYMOPJPFN-HNNXBMFYSA-N -1 3 383.236 3.579 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1F ZINC001256101799 1041528385 /nfs/dbraw/zinc/52/83/85/1041528385.db2.gz CFSAOMHWWSJMLM-LJQANCHMSA-N -1 3 375.396 3.738 20 0 GHADHM C[C@@H](Cc1cccc(Br)c1)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001256190347 1041634302 /nfs/dbraw/zinc/63/43/02/1041634302.db2.gz LURJJJDEZHAMAS-NSHDSACASA-N -1 3 393.247 3.523 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1Br)c1ccccc1Cl ZINC001256246779 1041673352 /nfs/dbraw/zinc/67/33/52/1041673352.db2.gz GXDQQORTTIBEKS-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc(Br)c([O-])c2)Cc2cn(CC)nc21 ZINC001236683349 1041829337 /nfs/dbraw/zinc/82/93/37/1041829337.db2.gz AUCPANQMQXTBEG-HNNXBMFYSA-N -1 3 394.313 3.507 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236687187 1041832591 /nfs/dbraw/zinc/83/25/91/1041832591.db2.gz KNVXHIVSWGRIHF-CYBMUJFWSA-N -1 3 385.302 3.501 20 0 GHADHM [O-]c1cc(CN2CCN(c3ccc(F)c(F)c3)CC2)ccc1Br ZINC001236692508 1041834936 /nfs/dbraw/zinc/83/49/36/1041834936.db2.gz RLCGYXVVHDJBOI-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC(N3Cc4ccccc4NC3=O)CC2)s1 ZINC001237150921 1042065760 /nfs/dbraw/zinc/06/57/60/1042065760.db2.gz JQVBITQBRACGPN-UHFFFAOYSA-N -1 3 378.885 3.514 20 0 GHADHM CCC(=O)N(c1ccccc1)C1CCN(Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237161497 1042071802 /nfs/dbraw/zinc/07/18/02/1042071802.db2.gz OJGKJOLATZDCQO-UHFFFAOYSA-N -1 3 379.913 3.910 20 0 GHADHM [S-]c1ccoc1CN1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001237179797 1042080907 /nfs/dbraw/zinc/08/09/07/1042080907.db2.gz GDSGHKOCEPUVLM-CYBMUJFWSA-N -1 3 394.294 3.552 20 0 GHADHM COc1cccc(CN2CCC3(CCNc4ccccc43)CC2)c1OCC(=O)[O-] ZINC001237324163 1042147841 /nfs/dbraw/zinc/14/78/41/1042147841.db2.gz XYDJBBDOAIUMKA-UHFFFAOYSA-N -1 3 396.487 3.508 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001238137320 1042500939 /nfs/dbraw/zinc/50/09/39/1042500939.db2.gz JEPMRVGYCJYGCN-HTZLVSCSSA-N -1 3 396.462 3.929 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4ccc(F)cc4C(=O)[O-])C3)CC2=O)s1 ZINC001238231608 1042526939 /nfs/dbraw/zinc/52/69/39/1042526939.db2.gz CLOCVXSZGQRIMI-HXUWFJFHSA-N -1 3 388.464 3.523 20 0 GHADHM CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238236565 1042528614 /nfs/dbraw/zinc/52/86/14/1042528614.db2.gz WIQLSNPMZRPVNU-FQEVSTJZSA-N -1 3 396.462 3.504 20 0 GHADHM [O-]c1ccc(Br)c(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1F ZINC001238311306 1042552020 /nfs/dbraw/zinc/55/20/20/1042552020.db2.gz MDMSNIHBNSZGFJ-KBPBESRZSA-N -1 3 391.284 3.862 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CCC(c2ccccc2)c2ccccc2)s1 ZINC001462717239 1070495964 /nfs/dbraw/zinc/49/59/64/1070495964.db2.gz VPIOHWHRPNXVFO-UHFFFAOYSA-N -1 3 388.514 3.652 20 0 GHADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)s3)co2)cc1 ZINC001256547820 1043509815 /nfs/dbraw/zinc/50/98/15/1043509815.db2.gz IAFMANNOSCGQMS-UHFFFAOYSA-N -1 3 384.866 3.544 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Br)c1 ZINC001256872342 1043712549 /nfs/dbraw/zinc/71/25/49/1043712549.db2.gz CAENUNQMHVUVBA-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc2nc(Cl)ncc2s1 ZINC001462754679 1070525304 /nfs/dbraw/zinc/52/53/04/1070525304.db2.gz QYMFYKFHPOMLNB-SDDRHHMPSA-N -1 3 385.942 3.982 20 0 GHADHM COc1cccc([O-])c1C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001292897831 1043935512 /nfs/dbraw/zinc/93/55/12/1043935512.db2.gz QRQSEPRKTYTIDG-QGZVFWFLSA-N -1 3 388.895 3.839 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)cccc21)c1cccc(Cl)c1Cl ZINC001257284587 1043955960 /nfs/dbraw/zinc/95/59/60/1043955960.db2.gz MRBHIDNYKVRSTC-GFCCVEGCSA-N -1 3 376.236 3.935 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cn1)C1CC1)c1cccc(Cl)c1Cl ZINC001257299999 1043960110 /nfs/dbraw/zinc/96/01/10/1043960110.db2.gz DZNBJGRFQNFWQP-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)n1)c1c(Cl)cccc1Cl ZINC001257776047 1044165782 /nfs/dbraw/zinc/16/57/82/1044165782.db2.gz WEDLOHSEMBUWST-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(C)NC(=O)N1CC2(C1)CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001279081871 1044466268 /nfs/dbraw/zinc/46/62/68/1044466268.db2.gz NTIPTENAEIGTLH-UHFFFAOYSA-N -1 3 386.323 3.715 20 0 GHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294440943 1044631864 /nfs/dbraw/zinc/63/18/64/1044631864.db2.gz PKGKKSZBQIHHBF-DZGCQCFKSA-N -1 3 382.410 3.900 20 0 GHADHM C[C@@H](CO[N-]C(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001295154524 1044933687 /nfs/dbraw/zinc/93/36/87/1044933687.db2.gz GWMBLRXYTZELEP-INIZCTEOSA-N -1 3 384.476 3.857 20 0 GHADHM O=S(=O)([N-]C1(CC2CCC2)CCOCC1)c1ccc(Br)s1 ZINC001259062544 1044942942 /nfs/dbraw/zinc/94/29/42/1044942942.db2.gz ZXPSFPOHNCMGKN-UHFFFAOYSA-N -1 3 394.356 3.528 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1C(F)(F)F)C1CC1)c1ccc(F)c(F)c1 ZINC001259095936 1044959888 /nfs/dbraw/zinc/95/98/88/1044959888.db2.gz VYCPPBHBIPTSTI-CQSZACIVSA-N -1 3 392.349 3.808 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C)cc2OC)c1 ZINC001259196551 1045003174 /nfs/dbraw/zinc/00/31/74/1045003174.db2.gz YEIWPULCDLUYSD-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001259244257 1045038831 /nfs/dbraw/zinc/03/88/31/1045038831.db2.gz RKLWKPHESROLGY-HNNXBMFYSA-N -1 3 375.918 3.516 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc2ncsc2c1Br ZINC001259300290 1045064775 /nfs/dbraw/zinc/06/47/75/1045064775.db2.gz VQRKRDREBWZEJP-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(C(F)(F)F)cc1F)c1ccc2c(c1)OCCO2 ZINC001259344564 1045091513 /nfs/dbraw/zinc/09/15/13/1045091513.db2.gz BFQGYRHWQKPYOP-UHFFFAOYSA-N -1 3 395.305 3.556 20 0 GHADHM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F ZINC001259370244 1045105550 /nfs/dbraw/zinc/10/55/50/1045105550.db2.gz HAKRZGSQZQXZAM-UHFFFAOYSA-N -1 3 393.415 3.739 20 0 GHADHM O=S(=O)([N-]c1ccc2ncc(Cl)cc2c1)c1ccc(-n2cccn2)cc1 ZINC001259370516 1045107908 /nfs/dbraw/zinc/10/79/08/1045107908.db2.gz MCWHMDJNRWZPBI-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)[n-]n1 ZINC001295912303 1045185063 /nfs/dbraw/zinc/18/50/63/1045185063.db2.gz FZBLFWMNFKWTCG-UHFFFAOYSA-N -1 3 375.856 3.981 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)n[n-]1 ZINC001295912303 1045185071 /nfs/dbraw/zinc/18/50/71/1045185071.db2.gz FZBLFWMNFKWTCG-UHFFFAOYSA-N -1 3 375.856 3.981 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CCOCC1)c1ccc(Cl)cc1F ZINC001259514772 1045216212 /nfs/dbraw/zinc/21/62/12/1045216212.db2.gz GISNDAQEGIGYLG-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(Cl)c1)C1CC1)c1ccc(Cl)cc1F ZINC001259514691 1045216229 /nfs/dbraw/zinc/21/62/29/1045216229.db2.gz AZSHWHMSVKWFAT-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM COc1ccc(OCCCS(=O)(=O)[N-]c2c(Cl)cccc2C(C)=O)cc1 ZINC001259649533 1045259157 /nfs/dbraw/zinc/25/91/57/1045259157.db2.gz WRCBYNSQKSBGJC-UHFFFAOYSA-N -1 3 397.880 3.762 20 0 GHADHM C[S@](=O)Cc1ccccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001296178848 1045274523 /nfs/dbraw/zinc/27/45/23/1045274523.db2.gz NWZHMRRPVSIDDA-NDEPHWFRSA-N -1 3 396.468 3.503 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001259725071 1045275755 /nfs/dbraw/zinc/27/57/55/1045275755.db2.gz AMIXHPROOSLYDV-UHFFFAOYSA-N -1 3 397.884 3.720 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cccc2cncc(Br)c21 ZINC001259737904 1045280258 /nfs/dbraw/zinc/28/02/58/1045280258.db2.gz KEOHUYQECCHMJR-UHFFFAOYSA-N -1 3 391.290 3.982 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)cc2ncccc12 ZINC001259738671 1045280767 /nfs/dbraw/zinc/28/07/67/1045280767.db2.gz NOQODXIVCPULCU-UHFFFAOYSA-N -1 3 391.290 3.982 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1nc(Cl)c(Cl)nc1Cl ZINC001259781459 1045301794 /nfs/dbraw/zinc/30/17/94/1045301794.db2.gz FXWCDWOWZJUZPW-UHFFFAOYSA-N -1 3 384.647 3.560 20 0 GHADHM O=S(=O)([N-]c1ncc(Cl)cc1Br)c1ccc2c(c1)CCC2 ZINC001259854817 1045320192 /nfs/dbraw/zinc/32/01/92/1045320192.db2.gz VNJQUINDFRAOHV-UHFFFAOYSA-N -1 3 387.686 3.787 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1cc(F)cc(Br)c1Cl ZINC001259873377 1045327158 /nfs/dbraw/zinc/32/71/58/1045327158.db2.gz NRXFVWOHWMPZOK-UHFFFAOYSA-N -1 3 384.576 3.936 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCCC2)c1)c1ccc(-c2cnco2)s1 ZINC001259997660 1045347580 /nfs/dbraw/zinc/34/75/80/1045347580.db2.gz PEODOMBVPGOZRQ-UHFFFAOYSA-N -1 3 389.502 3.800 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cnc2c(C3CC3)cnn2c1 ZINC001260028491 1045363112 /nfs/dbraw/zinc/36/31/12/1045363112.db2.gz SLWZQWOIVWKPBO-UHFFFAOYSA-N -1 3 396.394 3.567 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260140283 1045393689 /nfs/dbraw/zinc/39/36/89/1045393689.db2.gz NZYSAVYTVJKRNF-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260206004 1045412871 /nfs/dbraw/zinc/41/28/71/1045412871.db2.gz XLITVUFKXHDOHB-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM COc1cccc(OC)c1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260207393 1045414121 /nfs/dbraw/zinc/41/41/21/1045414121.db2.gz SGLTXSAPEGVVGH-VIFPVBQESA-N -1 3 391.823 3.675 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1F ZINC001260370641 1045478758 /nfs/dbraw/zinc/47/87/58/1045478758.db2.gz ABVGFDCAIBNLBV-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3CN3CCCCC3)ccc2o1 ZINC001260452231 1045498649 /nfs/dbraw/zinc/49/86/49/1045498649.db2.gz JQGXPQAZJIALLM-UHFFFAOYSA-N -1 3 398.484 3.580 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](O)CCC2 ZINC001260462880 1045503974 /nfs/dbraw/zinc/50/39/74/1045503974.db2.gz OWOLOSIQEFFSGK-INIZCTEOSA-N -1 3 396.306 3.928 20 0 GHADHM O=S(=O)([N-]c1cc(F)nc(F)c1Cl)c1cccc(OC(F)(F)F)c1 ZINC001260496163 1045516424 /nfs/dbraw/zinc/51/64/24/1045516424.db2.gz NORIZAQGDARAMV-UHFFFAOYSA-N -1 3 388.701 3.713 20 0 GHADHM O=C([N-]Cc1cc(F)c(F)cc1Br)C(F)(F)C1(O)CCCCC1 ZINC001297564255 1045572818 /nfs/dbraw/zinc/57/28/18/1045572818.db2.gz YCIJGHICEBPZMU-UHFFFAOYSA-N -1 3 398.194 3.674 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC001260697153 1045614298 /nfs/dbraw/zinc/61/42/98/1045614298.db2.gz RWDLITKDIZLJRT-UHFFFAOYSA-N -1 3 385.844 3.527 20 0 GHADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1 ZINC001260743765 1045636268 /nfs/dbraw/zinc/63/62/68/1045636268.db2.gz QVKJYOATKPNKQM-LLVKDONJSA-N -1 3 397.884 3.536 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)CC(=O)N3C)ccc1F ZINC001260761691 1045643724 /nfs/dbraw/zinc/64/37/24/1045643724.db2.gz UIPHHHADCGADIS-UHFFFAOYSA-N -1 3 376.453 3.579 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c1Cl ZINC001260772770 1045652328 /nfs/dbraw/zinc/65/23/28/1045652328.db2.gz HEYMXHWVHKNNAU-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)c1 ZINC001260810744 1045677555 /nfs/dbraw/zinc/67/75/55/1045677555.db2.gz PUVUHTKJFVRPFW-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM CN(C)c1nccc2cc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)ccc21 ZINC001298099395 1045702964 /nfs/dbraw/zinc/70/29/64/1045702964.db2.gz MXURWEGQCDDWCE-UHFFFAOYSA-N -1 3 394.381 3.673 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1ccc2c(c1)CCCC2 ZINC001260982893 1045797986 /nfs/dbraw/zinc/79/79/86/1045797986.db2.gz NPYYFWURZMCOEQ-UHFFFAOYSA-N -1 3 382.279 3.834 20 0 GHADHM Cc1ccccc1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261012808 1045834630 /nfs/dbraw/zinc/83/46/30/1045834630.db2.gz WTPZPYPYLVTJNN-GFCCVEGCSA-N -1 3 391.386 3.899 20 0 GHADHM NC(=O)C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC001298524503 1045853573 /nfs/dbraw/zinc/85/35/73/1045853573.db2.gz UHTFRRSSUSXNGW-NRFANRHFSA-N -1 3 388.467 3.524 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc2cccnc21 ZINC001298609605 1045894720 /nfs/dbraw/zinc/89/47/20/1045894720.db2.gz PZBJQQRRFAPPOW-UHFFFAOYSA-N -1 3 381.338 3.615 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC001261083032 1045898514 /nfs/dbraw/zinc/89/85/14/1045898514.db2.gz WYOJAURXGJHNOE-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cccc(Cc4nnn[n-]4)c3)ccc2c1 ZINC001298996126 1045995595 /nfs/dbraw/zinc/99/55/95/1045995595.db2.gz YGZZVCWJWSVWEO-POHAHGRESA-N -1 3 385.427 3.604 20 0 GHADHM COc1ccc2cc(C=CC(=O)Nc3cccc(Cc4nn[n-]n4)c3)ccc2c1 ZINC001298996126 1045995597 /nfs/dbraw/zinc/99/55/97/1045995597.db2.gz YGZZVCWJWSVWEO-POHAHGRESA-N -1 3 385.427 3.604 20 0 GHADHM C[C@H](c1ccccc1)n1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cn1 ZINC001299793907 1046040407 /nfs/dbraw/zinc/04/04/07/1046040407.db2.gz CPHLWFNHXYQYNY-GFCCVEGCSA-N -1 3 394.381 3.864 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)cs2)cc1 ZINC001299814423 1046051325 /nfs/dbraw/zinc/05/13/25/1046051325.db2.gz UTEXWHRGJJRGFQ-UHFFFAOYSA-N -1 3 398.488 3.973 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)cs2)cc1 ZINC001299814423 1046051344 /nfs/dbraw/zinc/05/13/44/1046051344.db2.gz UTEXWHRGJJRGFQ-UHFFFAOYSA-N -1 3 398.488 3.973 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299965506 1046118103 /nfs/dbraw/zinc/11/81/03/1046118103.db2.gz USRWZFIDCJBBOM-HXUWFJFHSA-N -1 3 396.874 3.815 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)c1 ZINC001463049393 1070757440 /nfs/dbraw/zinc/75/74/40/1070757440.db2.gz QFCFNTFOUDSUCL-CQSZACIVSA-N -1 3 379.453 3.659 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC2(CCOCC2)CC[C@@H]1CO ZINC001262640403 1046290642 /nfs/dbraw/zinc/29/06/42/1046290642.db2.gz CTHPXEPKMFCXDR-QGZVFWFLSA-N -1 3 397.471 3.578 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001263007750 1046494714 /nfs/dbraw/zinc/49/47/14/1046494714.db2.gz AARBFKOYYRSAOL-LSDHHAIUSA-N -1 3 392.956 3.632 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(C)c1 ZINC001463127608 1070829781 /nfs/dbraw/zinc/82/97/81/1070829781.db2.gz IGFKIMYCQRVMJF-ZDUSSCGKSA-N -1 3 377.437 3.935 20 0 GHADHM Cc1sccc1CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302621338 1047010815 /nfs/dbraw/zinc/01/08/15/1047010815.db2.gz PMRMVTFCHUESBM-CQSZACIVSA-N -1 3 396.434 3.798 20 0 GHADHM CON(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC001302626410 1047012161 /nfs/dbraw/zinc/01/21/61/1047012161.db2.gz JMPAUZDGRJPTNO-INIZCTEOSA-N -1 3 399.487 3.911 20 0 GHADHM CCOc1nnc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)[n-]1 ZINC001302692677 1047044676 /nfs/dbraw/zinc/04/46/76/1047044676.db2.gz NAIHUYRQZLZJIJ-UHFFFAOYSA-N -1 3 397.382 3.906 20 0 GHADHM CCOc1nc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)n[n-]1 ZINC001302692677 1047044685 /nfs/dbraw/zinc/04/46/85/1047044685.db2.gz NAIHUYRQZLZJIJ-UHFFFAOYSA-N -1 3 397.382 3.906 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)n1 ZINC001302692677 1047044697 /nfs/dbraw/zinc/04/46/97/1047044697.db2.gz NAIHUYRQZLZJIJ-UHFFFAOYSA-N -1 3 397.382 3.906 20 0 GHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001463185239 1070891001 /nfs/dbraw/zinc/89/10/01/1070891001.db2.gz IYXPQPVFQUHNNL-SNVBAGLBSA-N -1 3 384.336 3.707 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(C(=O)OC)c3)c2)n1 ZINC001264603369 1047387723 /nfs/dbraw/zinc/38/77/23/1047387723.db2.gz BGHXLBKOPGXIOO-UHFFFAOYSA-N -1 3 391.427 3.759 20 0 GHADHM O=S(=O)(Nc1cc(C(F)(F)F)ccc1Br)c1ccc([O-])cc1 ZINC000389839574 1047460052 /nfs/dbraw/zinc/46/00/52/1047460052.db2.gz YIHGJCABSZGHHD-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C12CCCC2 ZINC001463213820 1070914994 /nfs/dbraw/zinc/91/49/94/1070914994.db2.gz CGHOKEKFPUSHJG-JKSUJKDBSA-N -1 3 392.546 3.826 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3c(C(C)C)nc4ccccn43)c[n-]c12 ZINC001304003470 1047558946 /nfs/dbraw/zinc/55/89/46/1047558946.db2.gz KMILSNHEWTYSOK-UHFFFAOYSA-N -1 3 378.407 3.999 20 0 GHADHM C[C@@H](NC(=O)c1c(Cl)cccc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001304131358 1047595066 /nfs/dbraw/zinc/59/50/66/1047595066.db2.gz HVEGGAVAPJFYOT-RXMQYKEDSA-N -1 3 397.582 3.730 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(Cc2cncs2)Cc2cncs2)c1 ZINC001304160127 1047601163 /nfs/dbraw/zinc/60/11/63/1047601163.db2.gz JZBFNUNBBGJVFC-UHFFFAOYSA-N -1 3 377.516 3.870 20 0 GHADHM Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)cc21 ZINC001304567539 1047715595 /nfs/dbraw/zinc/71/55/95/1047715595.db2.gz KXXNWFMVBFIFFA-UHFFFAOYSA-N -1 3 392.390 3.948 20 0 GHADHM Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)cc21 ZINC001304567539 1047715601 /nfs/dbraw/zinc/71/56/01/1047715601.db2.gz KXXNWFMVBFIFFA-UHFFFAOYSA-N -1 3 392.390 3.948 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Cn3ccc4ccccc43)nc21 ZINC001304884089 1047799375 /nfs/dbraw/zinc/79/93/75/1047799375.db2.gz QOJOWZJZBBSJCV-AWEZNQCLSA-N -1 3 390.443 3.969 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001279499469 1047825600 /nfs/dbraw/zinc/82/56/00/1047825600.db2.gz ZIKPRRZOGVKREV-UHFFFAOYSA-N -1 3 379.476 3.533 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001463264489 1070948657 /nfs/dbraw/zinc/94/86/57/1070948657.db2.gz ZQUDRQKNRBHUIN-CQSZACIVSA-N -1 3 384.448 3.824 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)ccc3N3CCCC3)nc21 ZINC001463314115 1070981927 /nfs/dbraw/zinc/98/19/27/1070981927.db2.gz OMUJFZBGFIZIBI-UHFFFAOYSA-N -1 3 392.459 3.901 20 0 GHADHM COc1cc(C(=O)NCCSc2c(C)[nH]c3ccccc32)cc(OC)c1[O-] ZINC001305934793 1048323358 /nfs/dbraw/zinc/32/33/58/1048323358.db2.gz PFYCDTWYCWHGMJ-UHFFFAOYSA-N -1 3 386.473 3.721 20 0 GHADHM CC(C)CSCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001463346263 1071001722 /nfs/dbraw/zinc/00/17/22/1071001722.db2.gz GCAQDJVTBVCWKE-UHFFFAOYSA-N -1 3 384.336 3.646 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3ccc(Br)cc3)n[n-]2)o1 ZINC001306698874 1048829218 /nfs/dbraw/zinc/82/92/18/1048829218.db2.gz QPBYILBJIBTDHI-JTQLQIEISA-N -1 3 389.253 3.953 20 0 GHADHM CCOC(=O)c1n[n-]c(C2CCN(c3nc4c(ccc(C)c4C)s3)CC2)n1 ZINC001307111106 1049082816 /nfs/dbraw/zinc/08/28/16/1049082816.db2.gz KGAQBRDZACWLAY-UHFFFAOYSA-N -1 3 385.493 3.592 20 0 GHADHM CCc1cc2c(nc(C)nc2N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC001307152563 1049106999 /nfs/dbraw/zinc/10/69/99/1049106999.db2.gz GEPCGBJQEHYPCS-MNOVXSKESA-N -1 3 385.493 3.738 20 0 GHADHM Cc1csc2nc(C)nc(N3CCN(Cc4ccc([O-])c(Cl)c4)CC3)c12 ZINC001307189358 1049127842 /nfs/dbraw/zinc/12/78/42/1049127842.db2.gz CTXSAITYOPQTQM-UHFFFAOYSA-N -1 3 388.924 3.989 20 0 GHADHM CCCCc1ccc(-n2nnnc2SCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001307265380 1049169914 /nfs/dbraw/zinc/16/99/14/1049169914.db2.gz RUPHLCXFJRVSOK-UHFFFAOYSA-N -1 3 382.493 3.670 20 0 GHADHM CCOc1nc(C(=O)[N-]c2nc3c(cc(F)cc3Br)s2)co1 ZINC001289597202 1049556447 /nfs/dbraw/zinc/55/64/47/1049556447.db2.gz VVMCYHYEHWTURP-UHFFFAOYSA-N -1 3 386.202 3.837 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)o1 ZINC001307757656 1049572896 /nfs/dbraw/zinc/57/28/96/1049572896.db2.gz VAMGQQIOXXZHSU-HNNXBMFYSA-N -1 3 394.258 3.962 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001307857127 1049639275 /nfs/dbraw/zinc/63/92/75/1049639275.db2.gz SEFRFEIWQFZTFP-HFTRVMKXSA-N -1 3 384.442 3.692 20 0 GHADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC001307985791 1049740629 /nfs/dbraw/zinc/74/06/29/1049740629.db2.gz QGWXAVQTQUMHOO-IAQYHMDHSA-N -1 3 398.290 3.622 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3cc([O-])cc(Br)c3)cn2)n1 ZINC001290213885 1049763208 /nfs/dbraw/zinc/76/32/08/1049763208.db2.gz FKKXIJLZDJXHEG-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM O=C(NCc1cc(-c2ccccc2)no1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001290627361 1049890222 /nfs/dbraw/zinc/89/02/22/1049890222.db2.gz ICYQZHMERSLZPC-UHFFFAOYSA-N -1 3 379.803 3.767 20 0 GHADHM CC(C)(NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Br)cc1 ZINC001290915440 1049951579 /nfs/dbraw/zinc/95/15/79/1049951579.db2.gz KJOWOBYLUOXUGS-UHFFFAOYSA-N -1 3 378.222 3.549 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cncc2ccccc21)C(F)(F)F ZINC001308826506 1050110850 /nfs/dbraw/zinc/11/08/50/1050110850.db2.gz SOKAGHGQCGEGHO-QGZVFWFLSA-N -1 3 385.389 3.845 20 0 GHADHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(-c2ccccn2)c1 ZINC001308838172 1050116570 /nfs/dbraw/zinc/11/65/70/1050116570.db2.gz DGTDNXPZVGVSNK-YOEHRIQHSA-N -1 3 377.410 3.780 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCc2ccc(C(C)C)cc2)c1 ZINC001309028006 1050285037 /nfs/dbraw/zinc/28/50/37/1050285037.db2.gz LBCVAJSIYBZOBU-UHFFFAOYSA-N -1 3 393.480 3.565 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cccc(Br)c1F ZINC001309028877 1050285736 /nfs/dbraw/zinc/28/57/36/1050285736.db2.gz ADZSMCCETRADCM-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)s1 ZINC001309057960 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3 399.707 3.961 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1cccc(Sc2ccccc2)c1 ZINC001311009757 1051770546 /nfs/dbraw/zinc/77/05/46/1051770546.db2.gz ILHCWMWQIUCRNB-UHFFFAOYSA-N -1 3 384.486 3.944 20 0 GHADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(OC(F)F)c(Br)c1 ZINC001334016278 1051886087 /nfs/dbraw/zinc/88/60/87/1051886087.db2.gz MKUFFCHHYIPHMG-MRVPVSSYSA-N -1 3 392.118 3.546 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cc(Cl)nc(C2CCC2)n1 ZINC001336710080 1052312590 /nfs/dbraw/zinc/31/25/90/1052312590.db2.gz PAKDDRWIQFEXFO-UHFFFAOYSA-N -1 3 384.864 3.520 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1 ZINC001337592791 1052510854 /nfs/dbraw/zinc/51/08/54/1052510854.db2.gz NQLFCWVKOABBMT-VWLOTQADSA-N -1 3 381.885 3.739 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CC3)c2ccccc21)C(F)(F)F ZINC001313119602 1052962314 /nfs/dbraw/zinc/96/23/14/1052962314.db2.gz DVTMWXIZJDKONH-CZUORRHYSA-N -1 3 395.425 3.701 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC001317837543 1054275180 /nfs/dbraw/zinc/27/51/80/1054275180.db2.gz ZXKZVWFHPONWAD-GRJOEGEGSA-N -1 3 399.494 3.837 20 0 GHADHM CC/C=C\CNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC001344400067 1054428013 /nfs/dbraw/zinc/42/80/13/1054428013.db2.gz CCVHXLTUFQIZEN-WAYWQWQTSA-N -1 3 393.336 3.624 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2cnc(-c3ccccc3)s2)c([O-])c1 ZINC001318148968 1054452955 /nfs/dbraw/zinc/45/29/55/1054452955.db2.gz WDJWLMYRNWJVPB-UHFFFAOYSA-N -1 3 396.468 3.687 20 0 GHADHM CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001319018253 1054993485 /nfs/dbraw/zinc/99/34/85/1054993485.db2.gz RBMMLTQIKNXYSQ-UHFFFAOYSA-N -1 3 376.412 3.556 20 0 GHADHM O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC001319518732 1055302750 /nfs/dbraw/zinc/30/27/50/1055302750.db2.gz OJFSJVJYEVULNH-UHFFFAOYSA-N -1 3 377.799 3.778 20 0 GHADHM O=S(=O)([N-]Cc1cc(OCC(F)F)ccn1)c1cccc(Cl)c1Cl ZINC001320126949 1055666164 /nfs/dbraw/zinc/66/61/64/1055666164.db2.gz QDEQYUVFBSLVFV-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM COc1cccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2[O-])c1OC ZINC001200518215 1056203402 /nfs/dbraw/zinc/20/34/02/1056203402.db2.gz PZUXZWHJLAFUTQ-UHFFFAOYSA-N -1 3 386.395 3.915 20 0 GHADHM Cc1ccnc(-c2n[nH]c([C@H](C)[N-]C(=O)C(F)(F)c3ccc(Cl)cc3)n2)c1 ZINC001321377776 1056239203 /nfs/dbraw/zinc/23/92/03/1056239203.db2.gz VULPKJNMIMOWCV-NSHDSACASA-N -1 3 391.809 3.798 20 0 GHADHM COc1cccc(Nc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2)c1 ZINC001472605920 1056567914 /nfs/dbraw/zinc/56/79/14/1056567914.db2.gz NVRLCZPTJQFBEP-UHFFFAOYSA-N -1 3 391.427 3.513 20 0 GHADHM CN(Cc1cc2ccccc2[nH]1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001324021918 1057056772 /nfs/dbraw/zinc/05/67/72/1057056772.db2.gz ONBQAPORMVIQCE-UHFFFAOYSA-N -1 3 388.265 3.978 20 0 GHADHM CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC001355160658 1057066717 /nfs/dbraw/zinc/06/67/17/1057066717.db2.gz SUGBUANJMWGKQO-UHFFFAOYSA-N -1 3 383.835 3.572 20 0 GHADHM O=C1CCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)c(Cl)c3)cc21 ZINC000848453232 1057097648 /nfs/dbraw/zinc/09/76/48/1057097648.db2.gz YWFWWVNHDVDFDK-UHFFFAOYSA-N -1 3 390.892 3.870 20 0 GHADHM CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)n1 ZINC001355505047 1057189737 /nfs/dbraw/zinc/18/97/37/1057189737.db2.gz HPEUAKZDXBUPTB-UHFFFAOYSA-N -1 3 398.488 3.573 20 0 GHADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1coc(-c2cccnc2)n1 ZINC001355808686 1057282264 /nfs/dbraw/zinc/28/22/64/1057282264.db2.gz TZYSMSZNWKGSTR-UHFFFAOYSA-N -1 3 377.429 3.897 20 0 GHADHM Cc1c(Cl)cncc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001325812465 1057368562 /nfs/dbraw/zinc/36/85/62/1057368562.db2.gz RRZLADUYKKPYMG-UHFFFAOYSA-N -1 3 399.875 3.512 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]CCOc1ccc(Cl)cn1 ZINC001356127105 1057400026 /nfs/dbraw/zinc/40/00/26/1057400026.db2.gz FPYGYCNRJVTNAP-UHFFFAOYSA-N -1 3 391.201 3.684 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001326783725 1057557134 /nfs/dbraw/zinc/55/71/34/1057557134.db2.gz FDHVFVOFHLRBQG-UHFFFAOYSA-N -1 3 375.472 3.695 20 0 GHADHM COc1c(F)nccc1[N-]C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001439922313 1058350562 /nfs/dbraw/zinc/35/05/62/1058350562.db2.gz KCLJMAFSZMDNTB-UHFFFAOYSA-N -1 3 392.184 3.899 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(OCC)cc3)nc21 ZINC001440001338 1058382394 /nfs/dbraw/zinc/38/23/94/1058382394.db2.gz ZRKISJIZYZAVOX-UHFFFAOYSA-N -1 3 381.432 3.710 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)ccc1F ZINC001440328674 1058495593 /nfs/dbraw/zinc/49/55/93/1058495593.db2.gz PGORDMPKJZZEAS-UHFFFAOYSA-N -1 3 395.412 3.668 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(OC)cc1Cl ZINC001440545294 1058532563 /nfs/dbraw/zinc/53/25/63/1058532563.db2.gz ABUIEQVJHJNTQM-UHFFFAOYSA-N -1 3 394.761 3.729 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1[O-] ZINC001440613286 1058545824 /nfs/dbraw/zinc/54/58/24/1058545824.db2.gz PLDMLJBSNQBOJC-UHFFFAOYSA-N -1 3 383.473 3.653 20 0 GHADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001442187811 1058931056 /nfs/dbraw/zinc/93/10/56/1058931056.db2.gz UGHOAXMPUVMAGP-UHFFFAOYSA-N -1 3 399.397 3.541 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(-c2cccs2)nc2ccc(C)cc21 ZINC001443447003 1059133319 /nfs/dbraw/zinc/13/33/19/1059133319.db2.gz MRNLLVNZXYFGKX-CQSZACIVSA-N -1 3 392.484 3.514 20 0 GHADHM CCCN(C(=O)c1ccc(CC)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443624859 1059161413 /nfs/dbraw/zinc/16/14/13/1059161413.db2.gz OSOBCQVKIVBNGX-MRXNPFEDSA-N -1 3 376.497 3.816 20 0 GHADHM Cc1cccc2c(CCNC(=O)c3c[n-]c4c(Cl)cccc4c3=O)c[nH]c21 ZINC001444342700 1059313893 /nfs/dbraw/zinc/31/38/93/1059313893.db2.gz RVRFELXAVLHRBB-UHFFFAOYSA-N -1 3 379.847 3.944 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nc2ccccc2n1C ZINC001444628431 1059353077 /nfs/dbraw/zinc/35/30/77/1059353077.db2.gz HQWSBUYBGSTUJZ-NSHDSACASA-N -1 3 380.835 3.559 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001445163419 1059470781 /nfs/dbraw/zinc/47/07/81/1059470781.db2.gz WNYNHQQPHPBXAA-YOEHRIQHSA-N -1 3 376.497 3.720 20 0 GHADHM CCOc1ccc(Br)c(C(=O)[N-]OCc2ccc(F)cc2)c1F ZINC001447561238 1059982425 /nfs/dbraw/zinc/98/24/25/1059982425.db2.gz UWTCXLZYYIKLRL-UHFFFAOYSA-N -1 3 386.192 3.988 20 0 GHADHM CC(C)(c1nnc([N-]C(=O)c2coc([C@@H]3CCCN3)n2)s1)c1ccccc1 ZINC001340681291 1060044717 /nfs/dbraw/zinc/04/47/17/1060044717.db2.gz YZTDGCFVPLMZAX-ZDUSSCGKSA-N -1 3 383.477 3.529 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1cccs1 ZINC001447907344 1060062018 /nfs/dbraw/zinc/06/20/18/1060062018.db2.gz WIRWTOXFUFWFDF-SECBINFHSA-N -1 3 377.263 3.843 20 0 GHADHM O=C([C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC001447939563 1060067196 /nfs/dbraw/zinc/06/71/96/1060067196.db2.gz XUTNQSUDBLIUIR-LJQANCHMSA-N -1 3 379.847 3.552 20 0 GHADHM COc1ccc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c([O-])c1 ZINC001448894886 1060294430 /nfs/dbraw/zinc/29/44/30/1060294430.db2.gz YYDJFQYEHZSDSS-CYBMUJFWSA-N -1 3 380.263 3.740 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1 ZINC001449196035 1060351080 /nfs/dbraw/zinc/35/10/80/1060351080.db2.gz QSBKGVIDUJCHCW-SFHVURJKSA-N -1 3 388.508 3.818 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1[O-] ZINC001449359289 1060391196 /nfs/dbraw/zinc/39/11/96/1060391196.db2.gz QYPHRTMMBGEISL-HSZRJFAPSA-N -1 3 389.451 3.971 20 0 GHADHM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450053366 1060511632 /nfs/dbraw/zinc/51/16/32/1060511632.db2.gz ZBTMTJZJUJYZOV-UHFFFAOYSA-N -1 3 379.445 3.714 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC001450233338 1060559779 /nfs/dbraw/zinc/55/97/79/1060559779.db2.gz YMMZGIIBERYRHU-UHFFFAOYSA-N -1 3 389.249 3.842 20 0 GHADHM CC(C)(C)c1ccc(CSCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001450920594 1060718037 /nfs/dbraw/zinc/71/80/37/1060718037.db2.gz QMQQQAWKJKETSG-UHFFFAOYSA-N -1 3 395.532 3.960 20 0 GHADHM CC(C)(C)c1ccc(CSCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001450920594 1060718048 /nfs/dbraw/zinc/71/80/48/1060718048.db2.gz QMQQQAWKJKETSG-UHFFFAOYSA-N -1 3 395.532 3.960 20 0 GHADHM C[C@@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1(C)CC1 ZINC001346654313 1061769772 /nfs/dbraw/zinc/76/97/72/1061769772.db2.gz GSVICUKPGNJYTD-CHWSQXEVSA-N -1 3 383.414 3.557 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[n-]1 ZINC001454459624 1061789631 /nfs/dbraw/zinc/78/96/31/1061789631.db2.gz IGKFFOKDUZBSRL-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)c[n-]1 ZINC001454459624 1061789650 /nfs/dbraw/zinc/78/96/50/1061789650.db2.gz IGKFFOKDUZBSRL-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)[n-]1 ZINC001454469628 1061795034 /nfs/dbraw/zinc/79/50/34/1061795034.db2.gz YHKRGAFKELBPOW-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c[n-]1 ZINC001454469628 1061795054 /nfs/dbraw/zinc/79/50/54/1061795054.db2.gz YHKRGAFKELBPOW-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(C)c(F)c(C)c1 ZINC001454631487 1061891839 /nfs/dbraw/zinc/89/18/39/1061891839.db2.gz RRWZEXSIIGJPQU-UHFFFAOYSA-N -1 3 396.422 3.987 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cc(F)c(Br)cc2F)cc1[O-] ZINC001454738610 1061929845 /nfs/dbraw/zinc/92/98/45/1061929845.db2.gz SEKWMVKZAVORCT-UHFFFAOYSA-N -1 3 384.176 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC001455018424 1061979773 /nfs/dbraw/zinc/97/97/73/1061979773.db2.gz CQEXXMVBCHSKOI-DYVFJYSZSA-N -1 3 394.899 3.907 20 0 GHADHM O=C([N-]Cc1ccc(-n2ccnc2)c(F)c1)C(F)(F)c1cc(F)cc(F)c1 ZINC001434875095 1062070682 /nfs/dbraw/zinc/07/06/82/1062070682.db2.gz VWOGVVPFPAYMEP-UHFFFAOYSA-N -1 3 381.304 3.698 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cn(-c4ccccc4C)nn3)s2)c(C)c1 ZINC001434890583 1062082686 /nfs/dbraw/zinc/08/26/86/1062082686.db2.gz KZIMPXDZLGMEDY-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM O=C(NCc1cc(C(F)(F)F)ccc1Br)c1ccc(O)cc1[O-] ZINC001455649121 1062248131 /nfs/dbraw/zinc/24/81/31/1062248131.db2.gz LRXPJKNDQSBEMF-UHFFFAOYSA-N -1 3 390.155 3.809 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)Nc1ccccc1 ZINC001435112197 1062304614 /nfs/dbraw/zinc/30/46/14/1062304614.db2.gz YARSSGGCRNHSBS-NSHDSACASA-N -1 3 397.219 3.684 20 0 GHADHM O=C([N-]C[C@@H](O)Cc1ccc(F)cc1)C(F)(F)c1cccc(Cl)c1Cl ZINC001455853183 1062328987 /nfs/dbraw/zinc/32/89/87/1062328987.db2.gz QVRJGWZYDHJZAU-LBPRGKRZSA-N -1 3 392.204 3.944 20 0 GHADHM O=C([N-]c1cnc(Br)cn1)c1sc(Cl)nc1C(F)(F)F ZINC001435249466 1062422061 /nfs/dbraw/zinc/42/20/61/1062422061.db2.gz XPQDWFXRWYVVBD-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM C[C@@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001456379868 1062649362 /nfs/dbraw/zinc/64/93/62/1062649362.db2.gz FKKNRTPQGMOFOX-MRVPVSSYSA-N -1 3 399.373 3.501 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456384795 1062651235 /nfs/dbraw/zinc/65/12/35/1062651235.db2.gz OHACOOIAKSOUBZ-QMMMGPOBSA-N -1 3 399.373 3.886 20 0 GHADHM CC1(C)Cc2cc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)ccc2O1 ZINC001456794597 1062859687 /nfs/dbraw/zinc/85/96/87/1062859687.db2.gz AYROQRHMMRJWAT-UHFFFAOYSA-N -1 3 391.427 3.733 20 0 GHADHM CC1(C)Cc2cc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)ccc2O1 ZINC001456794597 1062859709 /nfs/dbraw/zinc/85/97/09/1062859709.db2.gz AYROQRHMMRJWAT-UHFFFAOYSA-N -1 3 391.427 3.733 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)/C=C/C(C)(C)C)[n-]c2c(Br)c1 ZINC001457013427 1062949054 /nfs/dbraw/zinc/94/90/54/1062949054.db2.gz GDFXSNBOLGFIBL-AATRIKPKSA-N -1 3 380.242 3.653 20 0 GHADHM Cc1ccc(NC(=O)c2ccsn2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001457567221 1063251850 /nfs/dbraw/zinc/25/18/50/1063251850.db2.gz FXZPOWDSZUBYOW-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)c([O-])c1 ZINC001457575486 1063258291 /nfs/dbraw/zinc/25/82/91/1063258291.db2.gz DJGSWWYRYAVHQV-OAHLLOKOSA-N -1 3 388.533 3.809 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cnn(-c3cccc(C)c3)c1C)c2=O ZINC001457872781 1063406725 /nfs/dbraw/zinc/40/67/25/1063406725.db2.gz HTOYANQNZUGZTE-UHFFFAOYSA-N -1 3 388.427 3.592 20 0 GHADHM O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC001457985430 1063486267 /nfs/dbraw/zinc/48/62/67/1063486267.db2.gz VGLFYHOEMYQUEA-INIZCTEOSA-N -1 3 376.859 3.969 20 0 GHADHM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001457986558 1063486971 /nfs/dbraw/zinc/48/69/71/1063486971.db2.gz URZULCQSIUVZJV-KRWDZBQOSA-N -1 3 382.847 3.632 20 0 GHADHM O=C(NCCOc1ccc(Cl)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC001436536081 1063513236 /nfs/dbraw/zinc/51/32/36/1063513236.db2.gz FPWFWVMACFYNOE-UHFFFAOYSA-N -1 3 377.227 3.644 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436648888 1063592729 /nfs/dbraw/zinc/59/27/29/1063592729.db2.gz KCYGMTJZCIYOTG-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436648888 1063592748 /nfs/dbraw/zinc/59/27/48/1063592748.db2.gz KCYGMTJZCIYOTG-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(Cl)cc4ccccc43)CC2)n1 ZINC001349462249 1063735146 /nfs/dbraw/zinc/73/51/46/1063735146.db2.gz WXKJFVHASAPLFR-UHFFFAOYSA-N -1 3 396.878 3.696 20 0 GHADHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)o1 ZINC001349944311 1063948319 /nfs/dbraw/zinc/94/83/19/1063948319.db2.gz IGUXUOVHHSHCOF-ZRDIBKRKSA-N -1 3 397.456 3.896 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc2cncc(Br)c2n1 ZINC001458985615 1063975340 /nfs/dbraw/zinc/97/53/40/1063975340.db2.gz CSKBFJRYTHBTQX-UHFFFAOYSA-N -1 3 399.151 3.542 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1nnc(-c2cccc(Cl)c2)o1 ZINC001459183181 1064017088 /nfs/dbraw/zinc/01/70/88/1064017088.db2.gz GPWCIYCVBMAIST-MRVPVSSYSA-N -1 3 388.840 3.626 20 0 GHADHM O=C([N-]c1c(F)cc(Cl)cc1Br)c1nnc2ccccc2n1 ZINC001438652690 1064091253 /nfs/dbraw/zinc/09/12/53/1064091253.db2.gz QOISTIRKRAWLHK-UHFFFAOYSA-N -1 3 381.592 3.832 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c(F)cc1F ZINC001463559694 1064460213 /nfs/dbraw/zinc/46/02/13/1064460213.db2.gz BXVJJXPOALMOGE-MOPGFXCFSA-N -1 3 395.471 3.935 20 0 GHADHM O=C(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)OC1CCCCC1 ZINC001463594747 1064488745 /nfs/dbraw/zinc/48/87/45/1064488745.db2.gz DAALOSUPJMLNNY-UHFFFAOYSA-N -1 3 380.293 3.538 20 0 GHADHM COC(=O)c1cnc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2OC(C)C)s1 ZINC000847087558 1064677800 /nfs/dbraw/zinc/67/78/00/1064677800.db2.gz POUWESPZGDDACD-NSHDSACASA-N -1 3 398.431 3.686 20 0 GHADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464123640 1064838914 /nfs/dbraw/zinc/83/89/14/1064838914.db2.gz PRQNKHINHJCHHN-UHFFFAOYSA-N -1 3 391.210 3.858 20 0 GHADHM Cc1cc(C(F)(F)F)nc(C(=O)Nc2ccc(Br)cc2[O-])n1 ZINC001464144024 1064855604 /nfs/dbraw/zinc/85/56/04/1064855604.db2.gz XHYFRKPACKTZEO-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC001464152788 1064866288 /nfs/dbraw/zinc/86/62/88/1064866288.db2.gz WBDQAVBOTPXKAH-UHFFFAOYSA-N -1 3 389.427 3.522 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001464284210 1064941677 /nfs/dbraw/zinc/94/16/77/1064941677.db2.gz OHTAAGSUAQFYHI-UHFFFAOYSA-N -1 3 399.397 3.587 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@]12CCCO2)c1cc(Cl)ccc1C(F)(F)F ZINC001464386312 1064982093 /nfs/dbraw/zinc/98/20/93/1064982093.db2.gz SNWDINPJQBTRGZ-KGLIPLIRSA-N -1 3 383.819 3.739 20 0 GHADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847369897 1065149092 /nfs/dbraw/zinc/14/90/92/1065149092.db2.gz RNNPXUCLGYLPSA-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM C[C@@H](CCNC(=O)c1cc2sccc2c([O-])c1)N(C)C(=O)OC(C)(C)C ZINC001465024921 1065334969 /nfs/dbraw/zinc/33/49/69/1065334969.db2.gz XUNUEMXOIUJMLI-LBPRGKRZSA-N -1 3 378.494 3.982 20 0 GHADHM CCc1ccc([C@H](COC)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)o1 ZINC001465248653 1065496474 /nfs/dbraw/zinc/49/64/74/1065496474.db2.gz WWJOSYLBNGDONC-LBPRGKRZSA-N -1 3 395.481 3.763 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3cc(Br)ccc3o2)n1 ZINC001300180528 1065582601 /nfs/dbraw/zinc/58/26/01/1065582601.db2.gz WHSBLNFBIXDJML-UHFFFAOYSA-N -1 3 390.237 3.664 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001465444866 1065620531 /nfs/dbraw/zinc/62/05/31/1065620531.db2.gz MYXGJPPVSGCYJQ-CYBMUJFWSA-N -1 3 376.478 3.688 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001465460780 1065634872 /nfs/dbraw/zinc/63/48/72/1065634872.db2.gz MVVVZFJYIKAEBJ-CQSZACIVSA-N -1 3 376.859 3.633 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000847583200 1065679473 /nfs/dbraw/zinc/67/94/73/1065679473.db2.gz YPTFFSOAEZFUIW-PKOBYXMFSA-N -1 3 381.476 3.568 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Br)c(F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001465636399 1065760462 /nfs/dbraw/zinc/76/04/62/1065760462.db2.gz DZWCTJBFBRKRRB-YFKPBYRVSA-N -1 3 396.142 3.608 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)c(Br)c1 ZINC001466402649 1066134519 /nfs/dbraw/zinc/13/45/19/1066134519.db2.gz IDVVCPLOEDKCST-SNVBAGLBSA-N -1 3 392.249 3.857 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c([O-])c1 ZINC001466433573 1066152137 /nfs/dbraw/zinc/15/21/37/1066152137.db2.gz FRVPYRGSUHUNOL-PIGZYNQJSA-N -1 3 394.265 3.669 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001466622767 1066217436 /nfs/dbraw/zinc/21/74/36/1066217436.db2.gz PEIDFHAZHZDFMU-MRXNPFEDSA-N -1 3 392.249 3.579 20 0 GHADHM CCc1cccc(C(=O)N(C)Cc2cc(OC)ccc2Br)c1[O-] ZINC001466892798 1066373679 /nfs/dbraw/zinc/37/36/79/1066373679.db2.gz ZBAKTXVZQBIXAH-UHFFFAOYSA-N -1 3 378.266 3.998 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001473292247 1067195814 /nfs/dbraw/zinc/19/58/14/1067195814.db2.gz OCXJVFRXMSYKHB-IBGZPJMESA-N -1 3 395.455 3.933 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@]3(C)c3ccccc3)n2CC(C)C)cc(=O)[n-]1 ZINC001358107111 1067400117 /nfs/dbraw/zinc/40/01/17/1067400117.db2.gz ZRMZKBBCKVIEKX-JOCHJYFZSA-N -1 3 392.507 3.921 20 0 GHADHM O=C(NCCOCC(F)(F)C(F)F)c1cc(CCc2ccccc2)ccc1[O-] ZINC001467760130 1067455962 /nfs/dbraw/zinc/45/59/62/1067455962.db2.gz BFKQBAMDTFIMSQ-UHFFFAOYSA-N -1 3 399.384 3.824 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1nc(N2CCCC2)ncc1Cl ZINC000611782894 1067570506 /nfs/dbraw/zinc/57/05/06/1067570506.db2.gz PUBMVCDGIDWSFS-UHFFFAOYSA-N -1 3 386.868 3.501 20 0 GHADHM COc1nscc1CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001473828490 1067577373 /nfs/dbraw/zinc/57/73/73/1067577373.db2.gz QQMHPGJYQVPTOA-UHFFFAOYSA-N -1 3 388.474 3.754 20 0 GHADHM COc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC001468165765 1067616675 /nfs/dbraw/zinc/61/66/75/1067616675.db2.gz VNGIHTJWJJCZGH-CQSZACIVSA-N -1 3 395.496 3.676 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)c1[O-] ZINC001468601114 1067786420 /nfs/dbraw/zinc/78/64/20/1067786420.db2.gz JSCOJTOGQHSOFF-MRXNPFEDSA-N -1 3 380.488 3.877 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000849346380 1067813844 /nfs/dbraw/zinc/81/38/44/1067813844.db2.gz RCDUWIFDXUMNGA-CXAGYDPISA-N -1 3 382.298 3.928 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC001469425734 1068157770 /nfs/dbraw/zinc/15/77/70/1068157770.db2.gz GQMVKMCRVKJTEW-UHFFFAOYSA-N -1 3 375.686 3.925 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001469480603 1068184192 /nfs/dbraw/zinc/18/41/92/1068184192.db2.gz ZJUMWHDTDRGJDD-IRLDBZIGSA-N -1 3 385.479 3.839 20 0 GHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccnc(-c4ccccn4)n3)s2)c1 ZINC001360286753 1068439245 /nfs/dbraw/zinc/43/92/45/1068439245.db2.gz QSRKMTSNSXYVNR-UHFFFAOYSA-N -1 3 388.456 3.926 20 0 GHADHM CCOc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC001471034111 1072894632 /nfs/dbraw/zinc/89/46/32/1072894632.db2.gz AZYQEVOXPASVMB-LJQANCHMSA-N -1 3 397.862 3.955 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC001471115769 1072928695 /nfs/dbraw/zinc/92/86/95/1072928695.db2.gz RIBSZMQDUUGFFA-DOTOQJQBSA-N -1 3 393.447 3.591 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCC2CC=CC2)CC1 ZINC001471304091 1073007108 /nfs/dbraw/zinc/00/71/08/1073007108.db2.gz RLXHZGULGVYCOC-UHFFFAOYSA-N -1 3 391.899 3.762 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@H](C(F)(F)F)CC1 ZINC001471684491 1073178215 /nfs/dbraw/zinc/17/82/15/1073178215.db2.gz GZWJTLMTNNYZSM-LJQANCHMSA-N -1 3 393.405 3.971 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109945 1073337320 /nfs/dbraw/zinc/33/73/20/1073337320.db2.gz YZJLOGNHWWUEPH-LBPRGKRZSA-N -1 3 390.365 3.894 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001472228155 1073376477 /nfs/dbraw/zinc/37/64/77/1073376477.db2.gz GZEAMJQZOTXVQD-SNVBAGLBSA-N -1 3 395.864 3.960 20 0 GHADHM O=C(Cc1ccc(Cl)s1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472242221 1073381468 /nfs/dbraw/zinc/38/14/68/1073381468.db2.gz GCJKTECBVYSRED-UHFFFAOYSA-N -1 3 375.837 3.663 20 0 GHADHM O=C(Cc1ccc(Cl)s1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472242221 1073381471 /nfs/dbraw/zinc/38/14/71/1073381471.db2.gz GCJKTECBVYSRED-UHFFFAOYSA-N -1 3 375.837 3.663 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccccc1OC(F)(F)F ZINC001472288817 1073401409 /nfs/dbraw/zinc/40/14/09/1073401409.db2.gz RMYSUSUJYSPFMA-HAQNSBGRSA-N -1 3 381.354 3.537 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3OCCc4ccccc43)n[n-]2)cc1 ZINC001472357362 1073442716 /nfs/dbraw/zinc/44/27/16/1073442716.db2.gz JQJWERLVBSNEHF-KRWDZBQOSA-N -1 3 380.473 3.658 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(O)c3ccccc23)c(Cl)c1 ZINC001472478508 1073504713 /nfs/dbraw/zinc/50/47/13/1073504713.db2.gz SGOXUDNDXPMAPB-UHFFFAOYSA-N -1 3 390.848 3.823 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCCCCC2CC2)c2ccccc21)C(F)(F)F ZINC001479124201 1079113107 /nfs/dbraw/zinc/11/31/07/1079113107.db2.gz KNLSZEFBJDJPLU-OAHLLOKOSA-N -1 3 397.441 3.949 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cncc(-c4cccc(C)c4)c3)c2c1=O ZINC001472585691 1073562419 /nfs/dbraw/zinc/56/24/19/1073562419.db2.gz VQDQSEYEDUGHAW-UHFFFAOYSA-N -1 3 387.443 3.676 20 0 GHADHM Cn1ncc2c1nc(SCc1ccc(Cl)cc1Br)[n-]c2=O ZINC001473059194 1073765539 /nfs/dbraw/zinc/76/55/39/1073765539.db2.gz LWMQRILGMGLWPJ-UHFFFAOYSA-N -1 3 385.674 3.777 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)n1 ZINC001473681272 1074082731 /nfs/dbraw/zinc/08/27/31/1074082731.db2.gz IUMWGWJCIGJFTG-HNNXBMFYSA-N -1 3 395.482 3.961 20 0 GHADHM CCOC(=O)Cc1cccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001473878750 1074188275 /nfs/dbraw/zinc/18/82/75/1074188275.db2.gz YKYSSXIYVONHPG-UHFFFAOYSA-N -1 3 377.444 3.591 20 0 GHADHM CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2ccc([O-])c(F)c2)c1 ZINC001474512271 1074441614 /nfs/dbraw/zinc/44/16/14/1074441614.db2.gz DSPCOELGEBWWBV-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1cccc(Br)c1F ZINC001474820021 1074577777 /nfs/dbraw/zinc/57/77/77/1074577777.db2.gz SHUUROODMXGHID-ZDUSSCGKSA-N -1 3 398.297 3.987 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)C[C@@H]3CCCC(F)(F)C3)CCCCCC2)no1 ZINC001474828568 1074582397 /nfs/dbraw/zinc/58/23/97/1074582397.db2.gz MAGOYDXJCLGRGC-CQSZACIVSA-N -1 3 391.484 3.672 20 0 GHADHM O=S(=O)([N-]CCc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1F ZINC001474833422 1074584372 /nfs/dbraw/zinc/58/43/72/1074584372.db2.gz CHIYEEOEEPFNHZ-UHFFFAOYSA-N -1 3 396.915 3.990 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C(C)(C)C)cc2)s1 ZINC001474864844 1074599293 /nfs/dbraw/zinc/59/92/93/1074599293.db2.gz BJGGDOQKKUGXRY-ZDUSSCGKSA-N -1 3 382.551 3.749 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)cc1F ZINC001474866098 1074600741 /nfs/dbraw/zinc/60/07/41/1074600741.db2.gz NUZZZENSICWENT-UHFFFAOYSA-N -1 3 396.242 3.937 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)N(C)c1ccccc1 ZINC001474881040 1074609407 /nfs/dbraw/zinc/60/94/07/1074609407.db2.gz IQSQFRKOLHSOBO-CYBMUJFWSA-N -1 3 376.453 3.684 20 0 GHADHM CCCC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475084768 1074730912 /nfs/dbraw/zinc/73/09/12/1074730912.db2.gz BNWBOQRNPIZFLA-NSHDSACASA-N -1 3 396.962 3.763 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc2ccccc2c1)c1cccnc1Cl ZINC001475089869 1074732655 /nfs/dbraw/zinc/73/26/55/1074732655.db2.gz BWQAWNMGMKNQNZ-UHFFFAOYSA-N -1 3 376.865 3.636 20 0 GHADHM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001475093384 1074734200 /nfs/dbraw/zinc/73/42/00/1074734200.db2.gz MUNKRAFDBBDVNU-UHFFFAOYSA-N -1 3 377.318 3.897 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)c1noc(-c2ccccc2)n1 ZINC001475099427 1074736539 /nfs/dbraw/zinc/73/65/39/1074736539.db2.gz OSVMVTVHHBLVCZ-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCc1cccs1 ZINC001475102114 1074737742 /nfs/dbraw/zinc/73/77/42/1074737742.db2.gz CKGZDKZQMANHHO-UHFFFAOYSA-N -1 3 380.354 3.792 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001475109266 1074740602 /nfs/dbraw/zinc/74/06/02/1074740602.db2.gz BMZJJESEHHLRJX-CYBMUJFWSA-N -1 3 382.894 3.616 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CC(C)(C)CC(C)(C)C2)c(F)c1 ZINC001475145818 1074756313 /nfs/dbraw/zinc/75/63/13/1074756313.db2.gz YAIZNFVIFIPIHJ-UHFFFAOYSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c1Cl ZINC001475192785 1074778525 /nfs/dbraw/zinc/77/85/25/1074778525.db2.gz OUDDXFAZRQNLQG-MRXNPFEDSA-N -1 3 380.337 3.911 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2c(F)cccc2-n2cccn2)sc1Cl ZINC001475305963 1074829402 /nfs/dbraw/zinc/82/94/02/1074829402.db2.gz UBKQCJIWZKIFDO-UHFFFAOYSA-N -1 3 385.873 3.513 20 0 GHADHM CCC1([N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CCCCC1 ZINC001475315958 1074831493 /nfs/dbraw/zinc/83/14/93/1074831493.db2.gz IYHMVNLEIXBKPR-UHFFFAOYSA-N -1 3 394.306 3.988 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1cccc(Cl)c1 ZINC001475364031 1074850014 /nfs/dbraw/zinc/85/00/14/1074850014.db2.gz KAHDHVKGBIZDRM-HNNXBMFYSA-N -1 3 375.824 3.593 20 0 GHADHM CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC001475439852 1074875507 /nfs/dbraw/zinc/87/55/07/1074875507.db2.gz YRNDBXVDVVAWIZ-UHFFFAOYSA-N -1 3 388.338 3.596 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C1CCCCC1 ZINC001475533245 1074906905 /nfs/dbraw/zinc/90/69/05/1074906905.db2.gz SDLVQBIFWIEQDV-ZDUSSCGKSA-N -1 3 396.372 3.693 20 0 GHADHM CCC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)OCC ZINC001475534078 1074907200 /nfs/dbraw/zinc/90/72/00/1074907200.db2.gz YHUUYWKLXORFRJ-LLVKDONJSA-N -1 3 398.750 3.894 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN1C1CCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001475559596 1074914685 /nfs/dbraw/zinc/91/46/85/1074914685.db2.gz TYMVQQMIKOWOIR-CYBMUJFWSA-N -1 3 396.862 3.654 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCN1Cc1ccccc1)c1cccc(Cl)c1F ZINC001475593152 1074922460 /nfs/dbraw/zinc/92/24/60/1074922460.db2.gz NIQGIZUOLLJHAW-MRXNPFEDSA-N -1 3 396.915 3.812 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F)C(F)(F)F ZINC001475601432 1074924685 /nfs/dbraw/zinc/92/46/85/1074924685.db2.gz QYPSXQFMTNSAOQ-UHFFFAOYSA-N -1 3 399.406 3.568 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCCO1 ZINC001475605828 1074925525 /nfs/dbraw/zinc/92/55/25/1074925525.db2.gz ZFVNVNCEZACMFT-CYBMUJFWSA-N -1 3 396.734 3.729 20 0 GHADHM CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001475655721 1074993843 /nfs/dbraw/zinc/99/38/43/1074993843.db2.gz FUBLYCIQAAGZSQ-CRAIPNDOSA-N -1 3 399.434 3.940 20 0 GHADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC001475696799 1075001455 /nfs/dbraw/zinc/00/14/55/1075001455.db2.gz BLRZPCYRGNRNOX-QGZVFWFLSA-N -1 3 397.512 3.708 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C3CC(Cl)(Cl)C3)s2)cs1 ZINC001475732059 1075010479 /nfs/dbraw/zinc/01/04/79/1075010479.db2.gz ABOZWEYKSIHHDI-UHFFFAOYSA-N -1 3 383.347 3.795 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001476244652 1075109652 /nfs/dbraw/zinc/10/96/52/1075109652.db2.gz VKMMXFYFIKDCEG-SSDOTTSWSA-N -1 3 380.330 3.725 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001476244653 1075109709 /nfs/dbraw/zinc/10/97/09/1075109709.db2.gz VKMMXFYFIKDCEG-ZETCQYMHSA-N -1 3 380.330 3.725 20 0 GHADHM COC(=O)CCc1nnc([N-]C(=O)c2ccc(-c3ccc(C)o3)s2)s1 ZINC000514177102 564446745 /nfs/dbraw/zinc/44/67/45/564446745.db2.gz APWMIWFRTBANON-UHFFFAOYSA-N -1 3 377.447 3.526 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736629043 598829277 /nfs/dbraw/zinc/82/92/77/598829277.db2.gz SVBAFEYBGBXIGE-LBPRGKRZSA-N -1 3 386.839 3.936 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736629043 598829278 /nfs/dbraw/zinc/82/92/78/598829278.db2.gz SVBAFEYBGBXIGE-LBPRGKRZSA-N -1 3 386.839 3.936 20 0 GHADHM C[C@@H]1CC(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@@H](C)C1 ZINC000736222566 598838193 /nfs/dbraw/zinc/83/81/93/598838193.db2.gz DVARYVQDCPYVRQ-KBPBESRZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@@H](C)C1 ZINC000736222566 598838195 /nfs/dbraw/zinc/83/81/95/598838195.db2.gz DVARYVQDCPYVRQ-KBPBESRZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C[C@@H](C)C1 ZINC000736223644 598838386 /nfs/dbraw/zinc/83/83/86/598838386.db2.gz JMOFWAOFDPLMPW-KBPBESRZSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CC(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C[C@@H](C)C1 ZINC000736223644 598838388 /nfs/dbraw/zinc/83/83/88/598838388.db2.gz JMOFWAOFDPLMPW-KBPBESRZSA-N -1 3 392.463 3.609 20 0 GHADHM Cc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1OCCC(C)C ZINC000737358184 598838823 /nfs/dbraw/zinc/83/88/23/598838823.db2.gz YYHYVGUVNAXSAG-UHFFFAOYSA-N -1 3 395.463 3.618 20 0 GHADHM Cc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1OCCC(C)C ZINC000737358184 598838824 /nfs/dbraw/zinc/83/88/24/598838824.db2.gz YYHYVGUVNAXSAG-UHFFFAOYSA-N -1 3 395.463 3.618 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110781 598839556 /nfs/dbraw/zinc/83/95/56/598839556.db2.gz CJFNOKHAPMQPSX-OPAMFIHVSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110781 598839558 /nfs/dbraw/zinc/83/95/58/598839558.db2.gz CJFNOKHAPMQPSX-OPAMFIHVSA-N -1 3 390.491 3.691 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H](C)CC(C)C)c1C ZINC000737504226 598840714 /nfs/dbraw/zinc/84/07/14/598840714.db2.gz XVXJGIJHARCRQR-CYBMUJFWSA-N -1 3 381.484 3.680 20 0 GHADHM c1csc(-c2noc(-c3ccc(Oc4ccc(-c5nnn[n-]5)cn4)cc3)n2)c1 ZINC000738452178 598859166 /nfs/dbraw/zinc/85/91/66/598859166.db2.gz KTMKBSTVYPLLNV-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM c1csc(-c2noc(-c3ccc(Oc4ccc(-c5nn[n-]n5)cn4)cc3)n2)c1 ZINC000738452178 598859167 /nfs/dbraw/zinc/85/91/67/598859167.db2.gz KTMKBSTVYPLLNV-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM S=C(Nc1ccc(Oc2ccccn2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000738409612 598862182 /nfs/dbraw/zinc/86/21/82/598862182.db2.gz UHVJAEYVAJSVSN-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM S=C(Nc1ccc(Oc2ccccn2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000738409612 598862184 /nfs/dbraw/zinc/86/21/84/598862184.db2.gz UHVJAEYVAJSVSN-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM CCCCN(CC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736457512 598891001 /nfs/dbraw/zinc/89/10/01/598891001.db2.gz WWFCGIRVRBJDJO-UHFFFAOYSA-N -1 3 384.509 3.927 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736313702 598901921 /nfs/dbraw/zinc/90/19/21/598901921.db2.gz ITKSNOFAWFLUNS-ZDUSSCGKSA-N -1 3 396.520 3.714 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736313702 598901923 /nfs/dbraw/zinc/90/19/23/598901923.db2.gz ITKSNOFAWFLUNS-ZDUSSCGKSA-N -1 3 396.520 3.714 20 0 GHADHM CC(C)(C)C(=O)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000735586196 598902909 /nfs/dbraw/zinc/90/29/09/598902909.db2.gz KQZMVKSMMLHWPV-JTQLQIEISA-N -1 3 389.525 3.633 20 0 GHADHM CC(C)(C)C(=O)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000735586196 598902911 /nfs/dbraw/zinc/90/29/11/598902911.db2.gz KQZMVKSMMLHWPV-JTQLQIEISA-N -1 3 389.525 3.633 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736352161 598905500 /nfs/dbraw/zinc/90/55/00/598905500.db2.gz WQUYCTKBRSQCAO-QGZVFWFLSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736156862 598909377 /nfs/dbraw/zinc/90/93/77/598909377.db2.gz YKSCMLWQIZAPDI-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736156862 598909379 /nfs/dbraw/zinc/90/93/79/598909379.db2.gz YKSCMLWQIZAPDI-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1Cc2ccccc21 ZINC000738184170 598924383 /nfs/dbraw/zinc/92/43/83/598924383.db2.gz CFINKYQLCLNMOU-NRFANRHFSA-N -1 3 397.438 3.724 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1Cc2ccccc21 ZINC000738184170 598924385 /nfs/dbraw/zinc/92/43/85/598924385.db2.gz CFINKYQLCLNMOU-NRFANRHFSA-N -1 3 397.438 3.724 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735696980 598927232 /nfs/dbraw/zinc/92/72/32/598927232.db2.gz XADAZHKLBMAPEW-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735696980 598927233 /nfs/dbraw/zinc/92/72/33/598927233.db2.gz XADAZHKLBMAPEW-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736268872 598927684 /nfs/dbraw/zinc/92/76/84/598927684.db2.gz URHOJFXDPSYEBV-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736268872 598927685 /nfs/dbraw/zinc/92/76/85/598927685.db2.gz URHOJFXDPSYEBV-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM Cc1cc2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)n2c2ccccc12 ZINC000737284848 598935069 /nfs/dbraw/zinc/93/50/69/598935069.db2.gz NPGPPJAHMHQETC-UHFFFAOYSA-N -1 3 394.851 3.571 20 0 GHADHM Cc1cc2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)n2c2ccccc12 ZINC000737284848 598935070 /nfs/dbraw/zinc/93/50/70/598935070.db2.gz NPGPPJAHMHQETC-UHFFFAOYSA-N -1 3 394.851 3.571 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736401476 598942442 /nfs/dbraw/zinc/94/24/42/598942442.db2.gz XPWRWVSECQWACL-CABCVRRESA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736401476 598942445 /nfs/dbraw/zinc/94/24/45/598942445.db2.gz XPWRWVSECQWACL-CABCVRRESA-N -1 3 395.463 3.737 20 0 GHADHM CCc1noc([C@@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000736712083 598961143 /nfs/dbraw/zinc/96/11/43/598961143.db2.gz BGFBSGMVHJOTPU-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1noc([C@@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000736712083 598961144 /nfs/dbraw/zinc/96/11/44/598961144.db2.gz BGFBSGMVHJOTPU-CYBMUJFWSA-N -1 3 391.435 3.564 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737425614 598963178 /nfs/dbraw/zinc/96/31/78/598963178.db2.gz BYRHISYVWOAANA-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737425614 598963179 /nfs/dbraw/zinc/96/31/79/598963179.db2.gz BYRHISYVWOAANA-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM Fc1cc(NCCC(F)(F)F)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737652945 598979899 /nfs/dbraw/zinc/97/98/99/598979899.db2.gz PPFMJFWZCOSBCJ-UHFFFAOYSA-N -1 3 381.333 3.949 20 0 GHADHM Fc1cc(NCCC(F)(F)F)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737652945 598979901 /nfs/dbraw/zinc/97/99/01/598979901.db2.gz PPFMJFWZCOSBCJ-UHFFFAOYSA-N -1 3 381.333 3.949 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504585 598989109 /nfs/dbraw/zinc/98/91/09/598989109.db2.gz GPOUSMJYGJPCRX-ZDUSSCGKSA-N -1 3 392.438 3.639 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504585 598989110 /nfs/dbraw/zinc/98/91/10/598989110.db2.gz GPOUSMJYGJPCRX-ZDUSSCGKSA-N -1 3 392.438 3.639 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818140 599015243 /nfs/dbraw/zinc/01/52/43/599015243.db2.gz JAHRZEZMBKGDMY-GOSISDBHSA-N -1 3 375.476 3.976 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818140 599015244 /nfs/dbraw/zinc/01/52/44/599015244.db2.gz JAHRZEZMBKGDMY-GOSISDBHSA-N -1 3 375.476 3.976 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cn2)c1C ZINC000737412377 599015990 /nfs/dbraw/zinc/01/59/90/599015990.db2.gz XCYBQDSEUHIHGU-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cn2)c1C ZINC000737412377 599015992 /nfs/dbraw/zinc/01/59/92/599015992.db2.gz XCYBQDSEUHIHGU-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CCc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736694704 599021003 /nfs/dbraw/zinc/02/10/03/599021003.db2.gz AOBXRYCHDLKOIL-UHFFFAOYSA-N -1 3 380.452 3.538 20 0 GHADHM CCc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736694704 599021005 /nfs/dbraw/zinc/02/10/05/599021005.db2.gz AOBXRYCHDLKOIL-UHFFFAOYSA-N -1 3 380.452 3.538 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736211979 599032108 /nfs/dbraw/zinc/03/21/08/599032108.db2.gz UCFWEZHUCYCJRD-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736211979 599032110 /nfs/dbraw/zinc/03/21/10/599032110.db2.gz UCFWEZHUCYCJRD-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000737996628 599040701 /nfs/dbraw/zinc/04/07/01/599040701.db2.gz GWSZSUGSBBDIEP-LLVKDONJSA-N -1 3 387.774 3.615 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000737996628 599040703 /nfs/dbraw/zinc/04/07/03/599040703.db2.gz GWSZSUGSBBDIEP-LLVKDONJSA-N -1 3 387.774 3.615 20 0 GHADHM CC(C)OCc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735904115 599040807 /nfs/dbraw/zinc/04/08/07/599040807.db2.gz LEMYQUZMSJHPCN-UHFFFAOYSA-N -1 3 392.385 3.818 20 0 GHADHM CC(C)OCc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735904115 599040810 /nfs/dbraw/zinc/04/08/10/599040810.db2.gz LEMYQUZMSJHPCN-UHFFFAOYSA-N -1 3 392.385 3.818 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000737633433 599041854 /nfs/dbraw/zinc/04/18/54/599041854.db2.gz RDKPCPOGCREFFT-SFYZADRCSA-N -1 3 380.296 3.814 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000737633433 599041856 /nfs/dbraw/zinc/04/18/56/599041856.db2.gz RDKPCPOGCREFFT-SFYZADRCSA-N -1 3 380.296 3.814 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819933411 599056358 /nfs/dbraw/zinc/05/63/58/599056358.db2.gz QOFZRNUIBJZKIR-QGZVFWFLSA-N -1 3 380.452 3.545 20 0 GHADHM Cc1nc(-c2ccncc2)nc(Sc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822423115 599058193 /nfs/dbraw/zinc/05/81/93/599058193.db2.gz HTBDMSOYIBNGPG-UHFFFAOYSA-N -1 3 379.424 3.626 20 0 GHADHM Cc1nc(-c2ccncc2)nc(Sc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822423115 599058196 /nfs/dbraw/zinc/05/81/96/599058196.db2.gz HTBDMSOYIBNGPG-UHFFFAOYSA-N -1 3 379.424 3.626 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193385 599065688 /nfs/dbraw/zinc/06/56/88/599065688.db2.gz QJALRQIKJKIBRG-WDEREUQCSA-N -1 3 389.431 3.503 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736193385 599065690 /nfs/dbraw/zinc/06/56/90/599065690.db2.gz QJALRQIKJKIBRG-WDEREUQCSA-N -1 3 389.431 3.503 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501527 599070382 /nfs/dbraw/zinc/07/03/82/599070382.db2.gz DNZLHNQJKHTHEW-CSMYWGQOSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501527 599070385 /nfs/dbraw/zinc/07/03/85/599070385.db2.gz DNZLHNQJKHTHEW-CSMYWGQOSA-N -1 3 397.429 3.858 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)ccc1N(C)C(C)C ZINC000736634999 599072722 /nfs/dbraw/zinc/07/27/22/599072722.db2.gz PFMFFECXEPTNOH-UHFFFAOYSA-N -1 3 394.479 3.671 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)ccc1N(C)C(C)C ZINC000736634999 599072725 /nfs/dbraw/zinc/07/27/25/599072725.db2.gz PFMFFECXEPTNOH-UHFFFAOYSA-N -1 3 394.479 3.671 20 0 GHADHM CC(C)C[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000735780500 599078938 /nfs/dbraw/zinc/07/89/38/599078938.db2.gz BIFJSCGGTMNCOG-SFHVURJKSA-N -1 3 399.882 3.803 20 0 GHADHM CC(C)C[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000735780500 599078941 /nfs/dbraw/zinc/07/89/41/599078941.db2.gz BIFJSCGGTMNCOG-SFHVURJKSA-N -1 3 399.882 3.803 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736124307 599079187 /nfs/dbraw/zinc/07/91/87/599079187.db2.gz GZVNJJGFQVOLJW-CQSZACIVSA-N -1 3 395.463 3.737 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736124307 599079190 /nfs/dbraw/zinc/07/91/90/599079190.db2.gz GZVNJJGFQVOLJW-CQSZACIVSA-N -1 3 395.463 3.737 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736245506 599086876 /nfs/dbraw/zinc/08/68/76/599086876.db2.gz SKEQYAGCESBLHF-HUUCEWRRSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736245506 599086879 /nfs/dbraw/zinc/08/68/79/599086879.db2.gz SKEQYAGCESBLHF-HUUCEWRRSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736245649 599086894 /nfs/dbraw/zinc/08/68/94/599086894.db2.gz UEULPQRJCHWZQB-LSDHHAIUSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736245649 599086897 /nfs/dbraw/zinc/08/68/97/599086897.db2.gz UEULPQRJCHWZQB-LSDHHAIUSA-N -1 3 395.463 3.689 20 0 GHADHM CO[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000821677259 599090763 /nfs/dbraw/zinc/09/07/63/599090763.db2.gz SGDVDYBXJULKPT-KRWDZBQOSA-N -1 3 380.839 3.868 20 0 GHADHM CO[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(Cl)c1 ZINC000821677259 599090765 /nfs/dbraw/zinc/09/07/65/599090765.db2.gz SGDVDYBXJULKPT-KRWDZBQOSA-N -1 3 380.839 3.868 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccccc1C(F)(F)F ZINC000737947924 599110825 /nfs/dbraw/zinc/11/08/25/599110825.db2.gz SWFWWRWSRUTNIN-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccccc1C(F)(F)F ZINC000737947924 599110829 /nfs/dbraw/zinc/11/08/29/599110829.db2.gz SWFWWRWSRUTNIN-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821109232 599115217 /nfs/dbraw/zinc/11/52/17/599115217.db2.gz DHQXYCHAFDDLOH-SFHVURJKSA-N -1 3 398.854 3.505 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821109232 599115220 /nfs/dbraw/zinc/11/52/20/599115220.db2.gz DHQXYCHAFDDLOH-SFHVURJKSA-N -1 3 398.854 3.505 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccccc2OCC(F)(F)F)n1 ZINC000822428035 599125829 /nfs/dbraw/zinc/12/58/29/599125829.db2.gz YJEQWLODUINLSX-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccccc2OCC(F)(F)F)n1 ZINC000822428035 599125832 /nfs/dbraw/zinc/12/58/32/599125832.db2.gz YJEQWLODUINLSX-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820252530 599136393 /nfs/dbraw/zinc/13/63/93/599136393.db2.gz BLPJLKFMRNHEMU-HNNXBMFYSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820252530 599136395 /nfs/dbraw/zinc/13/63/95/599136395.db2.gz BLPJLKFMRNHEMU-HNNXBMFYSA-N -1 3 393.466 3.766 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)(C)C ZINC000819764955 599140961 /nfs/dbraw/zinc/14/09/61/599140961.db2.gz MCFGFTRZLYTGAX-QBFSEMIESA-N -1 3 378.436 3.985 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000822227901 599141894 /nfs/dbraw/zinc/14/18/94/599141894.db2.gz ZTFNBSQPODRITG-CYBMUJFWSA-N -1 3 390.403 3.698 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000822227901 599141896 /nfs/dbraw/zinc/14/18/96/599141896.db2.gz ZTFNBSQPODRITG-CYBMUJFWSA-N -1 3 390.403 3.698 20 0 GHADHM CC(C)CN(C(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081564 599145949 /nfs/dbraw/zinc/14/59/49/599145949.db2.gz LKUAMBHAHSPYPO-IBGZPJMESA-N -1 3 393.516 3.886 20 0 GHADHM CC(C)CN(C(=O)[C@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081564 599145951 /nfs/dbraw/zinc/14/59/51/599145951.db2.gz LKUAMBHAHSPYPO-IBGZPJMESA-N -1 3 393.516 3.886 20 0 GHADHM C[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000819868442 599149674 /nfs/dbraw/zinc/14/96/74/599149674.db2.gz YBKDYDCQXQVKGX-LLVKDONJSA-N -1 3 391.353 3.583 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000736481202 599160731 /nfs/dbraw/zinc/16/07/31/599160731.db2.gz WVZPLBDECSSMAF-HZPDHXFCSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000736481202 599160732 /nfs/dbraw/zinc/16/07/32/599160732.db2.gz WVZPLBDECSSMAF-HZPDHXFCSA-N -1 3 397.429 3.687 20 0 GHADHM Cc1cccc(F)c1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822309395 599161233 /nfs/dbraw/zinc/16/12/33/599161233.db2.gz XBWMDUIWHPDMPX-UHFFFAOYSA-N -1 3 387.418 3.911 20 0 GHADHM Cc1cccc(F)c1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822309395 599161235 /nfs/dbraw/zinc/16/12/35/599161235.db2.gz XBWMDUIWHPDMPX-UHFFFAOYSA-N -1 3 387.418 3.911 20 0 GHADHM Cc1nc(C)c(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)s1 ZINC000737243508 599162423 /nfs/dbraw/zinc/16/24/23/599162423.db2.gz ABVDFFGMBANCBC-UHFFFAOYSA-N -1 3 386.428 3.955 20 0 GHADHM CC(C)(C)C1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735598390 599168376 /nfs/dbraw/zinc/16/83/76/599168376.db2.gz ZGOJGTPYNDOUJP-UHFFFAOYSA-N -1 3 385.512 3.701 20 0 GHADHM CC(C)(C)C1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735598390 599168379 /nfs/dbraw/zinc/16/83/79/599168379.db2.gz ZGOJGTPYNDOUJP-UHFFFAOYSA-N -1 3 385.512 3.701 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Cc1ccccc1 ZINC000823241957 599180166 /nfs/dbraw/zinc/18/01/66/599180166.db2.gz LXSHLPOPCFMYGC-UHFFFAOYSA-N -1 3 387.418 3.527 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cc1ccccc1 ZINC000823241957 599180168 /nfs/dbraw/zinc/18/01/68/599180168.db2.gz LXSHLPOPCFMYGC-UHFFFAOYSA-N -1 3 387.418 3.527 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1sccc1-c1ccc(F)cc1 ZINC000823242087 599182695 /nfs/dbraw/zinc/18/26/95/599182695.db2.gz PIYCMOPPTMTXKZ-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1sccc1-c1ccc(F)cc1 ZINC000823242087 599182698 /nfs/dbraw/zinc/18/26/98/599182698.db2.gz PIYCMOPPTMTXKZ-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820666256 599189849 /nfs/dbraw/zinc/18/98/49/599189849.db2.gz HIQRZUJYPQGYBC-BVNDAYQMSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820666256 599189850 /nfs/dbraw/zinc/18/98/50/599189850.db2.gz HIQRZUJYPQGYBC-BVNDAYQMSA-N -1 3 377.423 3.629 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737995521 599198306 /nfs/dbraw/zinc/19/83/06/599198306.db2.gz MEMICJFNFBKIEX-KRWDZBQOSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737995521 599198309 /nfs/dbraw/zinc/19/83/09/599198309.db2.gz MEMICJFNFBKIEX-KRWDZBQOSA-N -1 3 375.457 3.642 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000820529144 599201333 /nfs/dbraw/zinc/20/13/33/599201333.db2.gz PHSUDEWIIXYQPR-INIZCTEOSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823493414 599213321 /nfs/dbraw/zinc/21/33/21/599213321.db2.gz NIMCJZHUKMEVME-UHFFFAOYSA-N -1 3 385.402 3.876 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823493414 599213324 /nfs/dbraw/zinc/21/33/24/599213324.db2.gz NIMCJZHUKMEVME-UHFFFAOYSA-N -1 3 385.402 3.876 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821956700 599218043 /nfs/dbraw/zinc/21/80/43/599218043.db2.gz VUFIOPJTOTVNGP-LLVKDONJSA-N -1 3 387.440 3.736 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821956700 599218044 /nfs/dbraw/zinc/21/80/44/599218044.db2.gz VUFIOPJTOTVNGP-LLVKDONJSA-N -1 3 387.440 3.736 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821482862 599220873 /nfs/dbraw/zinc/22/08/73/599220873.db2.gz VXUDDJZFGRCCLC-KDOFPFPSSA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821482862 599220875 /nfs/dbraw/zinc/22/08/75/599220875.db2.gz VXUDDJZFGRCCLC-KDOFPFPSSA-N -1 3 379.464 3.564 20 0 GHADHM Cc1cc(Cl)cc2nc(SCC(=O)c3ccc(-c4nnn[n-]4)cc3)oc21 ZINC000737264313 599222743 /nfs/dbraw/zinc/22/27/43/599222743.db2.gz PGSKVEQSZPITSN-UHFFFAOYSA-N -1 3 385.836 3.945 20 0 GHADHM Cc1cc(Cl)cc2nc(SCC(=O)c3ccc(-c4nn[n-]n4)cc3)oc21 ZINC000737264313 599222745 /nfs/dbraw/zinc/22/27/45/599222745.db2.gz PGSKVEQSZPITSN-UHFFFAOYSA-N -1 3 385.836 3.945 20 0 GHADHM Cc1ccc(N2CC[C@H](S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000822241558 599223749 /nfs/dbraw/zinc/22/37/49/599223749.db2.gz ZRDIQCOOBKRSKP-KSSFIOAISA-N -1 3 379.489 3.775 20 0 GHADHM Cc1ccc(N2CC[C@H](S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000822241558 599223750 /nfs/dbraw/zinc/22/37/50/599223750.db2.gz ZRDIQCOOBKRSKP-KSSFIOAISA-N -1 3 379.489 3.775 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736402603 599224140 /nfs/dbraw/zinc/22/41/40/599224140.db2.gz ORULMSVYUYFEAK-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736402603 599224142 /nfs/dbraw/zinc/22/41/42/599224142.db2.gz ORULMSVYUYFEAK-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735747077 599225898 /nfs/dbraw/zinc/22/58/98/599225898.db2.gz AVMBESZDXYPFHH-KRWDZBQOSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735747077 599225901 /nfs/dbraw/zinc/22/59/01/599225901.db2.gz AVMBESZDXYPFHH-KRWDZBQOSA-N -1 3 395.463 3.689 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=S)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000822233622 599231541 /nfs/dbraw/zinc/23/15/41/599231541.db2.gz SBUQOALZCKKPIW-WBMJQRKESA-N -1 3 382.493 3.938 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=S)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000822233622 599231543 /nfs/dbraw/zinc/23/15/43/599231543.db2.gz SBUQOALZCKKPIW-WBMJQRKESA-N -1 3 382.493 3.938 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736236585 599226654 /nfs/dbraw/zinc/22/66/54/599226654.db2.gz SEHURNZCJQPPDX-CFSSXQINSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@@H]1C[C@H]1[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736236585 599226658 /nfs/dbraw/zinc/22/66/58/599226658.db2.gz SEHURNZCJQPPDX-CFSSXQINSA-N -1 3 395.894 3.966 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356119 599226842 /nfs/dbraw/zinc/22/68/42/599226842.db2.gz JUGWYOJAMRKJON-HZPDHXFCSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356119 599226844 /nfs/dbraw/zinc/22/68/44/599226844.db2.gz JUGWYOJAMRKJON-HZPDHXFCSA-N -1 3 395.532 3.717 20 0 GHADHM CCc1cccc(CC)c1NC(=S)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821492073 599228756 /nfs/dbraw/zinc/22/87/56/599228756.db2.gz FXJHTJBEZGIIMK-UHFFFAOYSA-N -1 3 384.484 3.617 20 0 GHADHM CCc1cccc(CC)c1NC(=S)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821492073 599228758 /nfs/dbraw/zinc/22/87/58/599228758.db2.gz FXJHTJBEZGIIMK-UHFFFAOYSA-N -1 3 384.484 3.617 20 0 GHADHM Cc1c(NC(=O)CCc2cc(Br)cs2)cccc1-c1nnn[n-]1 ZINC000822066530 607268677 /nfs/dbraw/zinc/26/86/77/607268677.db2.gz FVBQEPWDOOQBBO-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM Cc1c(NC(=O)CCc2cc(Br)cs2)cccc1-c1nn[n-]n1 ZINC000822066530 607268678 /nfs/dbraw/zinc/26/86/78/607268678.db2.gz FVBQEPWDOOQBBO-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)n1 ZINC000735932662 599240495 /nfs/dbraw/zinc/24/04/95/599240495.db2.gz PAKIHDKOROVNIW-LLVKDONJSA-N -1 3 388.522 3.528 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)n1 ZINC000735932662 599240497 /nfs/dbraw/zinc/24/04/97/599240497.db2.gz PAKIHDKOROVNIW-LLVKDONJSA-N -1 3 388.522 3.528 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)s2)o1 ZINC000822214198 607269326 /nfs/dbraw/zinc/26/93/26/607269326.db2.gz UCXRHGABBFQUEC-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)s2)o1 ZINC000822214198 607269327 /nfs/dbraw/zinc/26/93/27/607269327.db2.gz UCXRHGABBFQUEC-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820379374 599251416 /nfs/dbraw/zinc/25/14/16/599251416.db2.gz BSDUXZLQEGLXOM-NSHDSACASA-N -1 3 393.838 3.951 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820379374 599251419 /nfs/dbraw/zinc/25/14/19/599251419.db2.gz BSDUXZLQEGLXOM-NSHDSACASA-N -1 3 393.838 3.951 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821891291 607280395 /nfs/dbraw/zinc/28/03/95/607280395.db2.gz ZSYVRNOWLLCOHC-KRWDZBQOSA-N -1 3 378.436 3.553 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821891291 607280396 /nfs/dbraw/zinc/28/03/96/607280396.db2.gz ZSYVRNOWLLCOHC-KRWDZBQOSA-N -1 3 378.436 3.553 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc2c3c(cccc31)CC2 ZINC000823237913 599253213 /nfs/dbraw/zinc/25/32/13/599253213.db2.gz FNEMNJLDAKUPIB-UHFFFAOYSA-N -1 3 388.406 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc2c3c(cccc31)CC2 ZINC000823237913 599253217 /nfs/dbraw/zinc/25/32/17/599253217.db2.gz FNEMNJLDAKUPIB-UHFFFAOYSA-N -1 3 388.406 3.579 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cccc1-c1nnn[n-]1 ZINC000822084356 607288086 /nfs/dbraw/zinc/28/80/86/607288086.db2.gz KFNROTBAHXPEGV-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cccc1-c1nn[n-]n1 ZINC000822084356 607288087 /nfs/dbraw/zinc/28/80/87/607288087.db2.gz KFNROTBAHXPEGV-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])N2CCCC2)cc1 ZINC000818879188 597323494 /nfs/dbraw/zinc/32/34/94/597323494.db2.gz MGPFEERACCBGKN-FQEVSTJZSA-N -1 3 381.476 3.581 20 0 GHADHM Cc1c(NC(=O)NCc2ccccc2OCC(C)C)cccc1-c1nnn[n-]1 ZINC000822105974 607287136 /nfs/dbraw/zinc/28/71/36/607287136.db2.gz ZMZOCXVFMGWPJE-UHFFFAOYSA-N -1 3 380.452 3.532 20 0 GHADHM Cc1c(NC(=O)NCc2ccccc2OCC(C)C)cccc1-c1nn[n-]n1 ZINC000822105974 607287137 /nfs/dbraw/zinc/28/71/37/607287137.db2.gz ZMZOCXVFMGWPJE-UHFFFAOYSA-N -1 3 380.452 3.532 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390197 599262572 /nfs/dbraw/zinc/26/25/72/599262572.db2.gz SLWDZEUGPNIBOB-FQEVSTJZSA-N -1 3 391.475 3.698 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822424116 607295449 /nfs/dbraw/zinc/29/54/49/607295449.db2.gz RMQBIHCNUHGXQL-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822424116 607295450 /nfs/dbraw/zinc/29/54/50/607295450.db2.gz RMQBIHCNUHGXQL-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM OCc1ccccc1NCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823726594 607311223 /nfs/dbraw/zinc/31/12/23/607311223.db2.gz CXRFJBKACYQDDG-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM OCc1ccccc1NCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823726594 607311224 /nfs/dbraw/zinc/31/12/24/607311224.db2.gz CXRFJBKACYQDDG-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821384379 607315980 /nfs/dbraw/zinc/31/59/80/607315980.db2.gz XAJCFNLGJFOORZ-UHFFFAOYSA-N -1 3 379.873 3.609 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)n1 ZINC000820898254 607303680 /nfs/dbraw/zinc/30/36/80/607303680.db2.gz XIVWGHSWYGMMQM-LLVKDONJSA-N -1 3 399.524 3.863 20 0 GHADHM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)n1 ZINC000820898254 607303681 /nfs/dbraw/zinc/30/36/81/607303681.db2.gz XIVWGHSWYGMMQM-LLVKDONJSA-N -1 3 399.524 3.863 20 0 GHADHM COc1ccc(CNc2cccc(OCC(F)(F)F)c2C)cc1-c1nnn[n-]1 ZINC000821824533 607316223 /nfs/dbraw/zinc/31/62/23/607316223.db2.gz LZVROVJVVKKROK-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1ccc(CNc2cccc(OCC(F)(F)F)c2C)cc1-c1nn[n-]n1 ZINC000821824533 607316224 /nfs/dbraw/zinc/31/62/24/607316224.db2.gz LZVROVJVVKKROK-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000737248062 599267522 /nfs/dbraw/zinc/26/75/22/599267522.db2.gz DLJLIOVBPLKWFG-LJQANCHMSA-N -1 3 386.459 3.610 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000737248062 599267525 /nfs/dbraw/zinc/26/75/25/599267525.db2.gz DLJLIOVBPLKWFG-LJQANCHMSA-N -1 3 386.459 3.610 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000822217824 599273140 /nfs/dbraw/zinc/27/31/40/599273140.db2.gz OYHOANAFNHCTCR-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000822217824 599273142 /nfs/dbraw/zinc/27/31/42/599273142.db2.gz OYHOANAFNHCTCR-SGTLLEGYSA-N -1 3 380.427 3.929 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000821762617 599274685 /nfs/dbraw/zinc/27/46/85/599274685.db2.gz NGBDGLWNSCZDSU-SFHVURJKSA-N -1 3 392.463 3.861 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000821762617 599274686 /nfs/dbraw/zinc/27/46/86/599274686.db2.gz NGBDGLWNSCZDSU-SFHVURJKSA-N -1 3 392.463 3.861 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1c(C)cc2ccccc21 ZINC000736487583 599276574 /nfs/dbraw/zinc/27/65/74/599276574.db2.gz IWYSYFNCEWQTEX-UHFFFAOYSA-N -1 3 389.463 3.590 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000822389374 599282256 /nfs/dbraw/zinc/28/22/56/599282256.db2.gz UINZQRCMDLBEGW-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000822389374 599282259 /nfs/dbraw/zinc/28/22/59/599282259.db2.gz UINZQRCMDLBEGW-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823331529 599283249 /nfs/dbraw/zinc/28/32/49/599283249.db2.gz FBIMZQRHGUFNFP-ZDUSSCGKSA-N -1 3 398.467 3.652 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823331529 599283251 /nfs/dbraw/zinc/28/32/51/599283251.db2.gz FBIMZQRHGUFNFP-ZDUSSCGKSA-N -1 3 398.467 3.652 20 0 GHADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822356711 599287195 /nfs/dbraw/zinc/28/71/95/599287195.db2.gz YHSBAHPVAUBELL-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822356711 599287196 /nfs/dbraw/zinc/28/71/96/599287196.db2.gz YHSBAHPVAUBELL-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CSc2ccccc21 ZINC000735829321 599291281 /nfs/dbraw/zinc/29/12/81/599291281.db2.gz HUHAZIPXFGGNRF-GOSISDBHSA-N -1 3 393.516 3.741 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CSc2ccccc21 ZINC000735829321 599291283 /nfs/dbraw/zinc/29/12/83/599291283.db2.gz HUHAZIPXFGGNRF-GOSISDBHSA-N -1 3 393.516 3.741 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1Cl ZINC000738182283 598231212 /nfs/dbraw/zinc/23/12/12/598231212.db2.gz BPBXUFCYASXCAH-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(CCc1ccncc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737860972 598232157 /nfs/dbraw/zinc/23/21/57/598232157.db2.gz QNFXTIBNLWQEFB-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccncc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737860972 598232159 /nfs/dbraw/zinc/23/21/59/598232159.db2.gz QNFXTIBNLWQEFB-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737824846 598232352 /nfs/dbraw/zinc/23/23/52/598232352.db2.gz IWZCVNFFOPQEQL-INIZCTEOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(CC[C@@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737824846 598232354 /nfs/dbraw/zinc/23/23/54/598232354.db2.gz IWZCVNFFOPQEQL-INIZCTEOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccc2[nH]ncc21 ZINC000738185180 598232749 /nfs/dbraw/zinc/23/27/49/598232749.db2.gz STBJIKYCDMJHLL-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC(C)(C)CCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735602764 598233522 /nfs/dbraw/zinc/23/35/22/598233522.db2.gz QQBSCUWTKQLDJT-UHFFFAOYSA-N -1 3 397.479 3.985 20 0 GHADHM CC(C)(C)CCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735602764 598233524 /nfs/dbraw/zinc/23/35/24/598233524.db2.gz QQBSCUWTKQLDJT-UHFFFAOYSA-N -1 3 397.479 3.985 20 0 GHADHM FC(F)(F)c1ccc(NCc2cccc(Cn3cccn3)c2)cc1-c1nnn[n-]1 ZINC000822729025 607346905 /nfs/dbraw/zinc/34/69/05/607346905.db2.gz QYRNMMQGRAAHCX-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2cccc(Cn3cccn3)c2)cc1-c1nn[n-]n1 ZINC000822729025 607346907 /nfs/dbraw/zinc/34/69/07/607346907.db2.gz QYRNMMQGRAAHCX-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(C(F)(F)F)c(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000822765916 607346916 /nfs/dbraw/zinc/34/69/16/607346916.db2.gz AYDXNZNWRGZYDB-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(C(F)(F)F)c(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000822765916 607346917 /nfs/dbraw/zinc/34/69/17/607346917.db2.gz AYDXNZNWRGZYDB-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000737239915 598271352 /nfs/dbraw/zinc/27/13/52/598271352.db2.gz HLEPXUSQLBTLLU-AWEZNQCLSA-N -1 3 382.493 3.615 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000737239915 598271353 /nfs/dbraw/zinc/27/13/53/598271353.db2.gz HLEPXUSQLBTLLU-AWEZNQCLSA-N -1 3 382.493 3.615 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738113223 598271694 /nfs/dbraw/zinc/27/16/94/598271694.db2.gz WXSSNKIEUWIKKE-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM O=C(NCc1ccc2ccccc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738113223 598271695 /nfs/dbraw/zinc/27/16/95/598271695.db2.gz WXSSNKIEUWIKKE-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CCO2)cc1 ZINC000737650483 598275786 /nfs/dbraw/zinc/27/57/86/598275786.db2.gz PAUNVXDUVQARFK-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000735660228 598278756 /nfs/dbraw/zinc/27/87/56/598278756.db2.gz JYWDLCGJCCPQIJ-INIZCTEOSA-N -1 3 397.458 3.931 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000735660228 598278757 /nfs/dbraw/zinc/27/87/57/598278757.db2.gz JYWDLCGJCCPQIJ-INIZCTEOSA-N -1 3 397.458 3.931 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736192923 598279617 /nfs/dbraw/zinc/27/96/17/598279617.db2.gz OVLYOXZYJJVJRT-JTQLQIEISA-N -1 3 391.859 3.803 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736192923 598279618 /nfs/dbraw/zinc/27/96/18/598279618.db2.gz OVLYOXZYJJVJRT-JTQLQIEISA-N -1 3 391.859 3.803 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C2CC2)o1 ZINC000737336854 598280051 /nfs/dbraw/zinc/28/00/51/598280051.db2.gz HZHJTDMQLYULNV-UHFFFAOYSA-N -1 3 383.456 3.521 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C2CC2)o1 ZINC000737336854 598280052 /nfs/dbraw/zinc/28/00/52/598280052.db2.gz HZHJTDMQLYULNV-UHFFFAOYSA-N -1 3 383.456 3.521 20 0 GHADHM CCc1c(C)sc(NC(=O)c2sccc2OC(F)F)c1-c1nnn[n-]1 ZINC000736678691 598283030 /nfs/dbraw/zinc/28/30/30/598283030.db2.gz FHMVCHYGOUKDNU-UHFFFAOYSA-N -1 3 385.421 3.714 20 0 GHADHM CCc1c(C)sc(NC(=O)c2sccc2OC(F)F)c1-c1nn[n-]n1 ZINC000736678691 598283032 /nfs/dbraw/zinc/28/30/32/598283032.db2.gz FHMVCHYGOUKDNU-UHFFFAOYSA-N -1 3 385.421 3.714 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735811730 598284428 /nfs/dbraw/zinc/28/44/28/598284428.db2.gz SBRYISJSVTZOEO-OAHLLOKOSA-N -1 3 394.479 3.622 20 0 GHADHM CC(C)CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735811730 598284430 /nfs/dbraw/zinc/28/44/30/598284430.db2.gz SBRYISJSVTZOEO-OAHLLOKOSA-N -1 3 394.479 3.622 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000736111219 598293737 /nfs/dbraw/zinc/29/37/37/598293737.db2.gz MIBSHDHTPCJVPY-AWEZNQCLSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000736111219 598293739 /nfs/dbraw/zinc/29/37/39/598293739.db2.gz MIBSHDHTPCJVPY-AWEZNQCLSA-N -1 3 394.454 3.516 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736326287 598297101 /nfs/dbraw/zinc/29/71/01/598297101.db2.gz IDDGTJIYHICFDE-PLSXKVAHSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736326287 598297103 /nfs/dbraw/zinc/29/71/03/598297103.db2.gz IDDGTJIYHICFDE-PLSXKVAHSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736324141 598297296 /nfs/dbraw/zinc/29/72/96/598297296.db2.gz BVLCKCDSNDBZHT-WIDZWVOGSA-N -1 3 377.448 3.720 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736324141 598297298 /nfs/dbraw/zinc/29/72/98/598297298.db2.gz BVLCKCDSNDBZHT-WIDZWVOGSA-N -1 3 377.448 3.720 20 0 GHADHM CSc1cccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737191671 598297472 /nfs/dbraw/zinc/29/74/72/598297472.db2.gz QFVCLHZEVXEKSQ-SFHVURJKSA-N -1 3 397.504 3.655 20 0 GHADHM CSc1cccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737191671 598297473 /nfs/dbraw/zinc/29/74/73/598297473.db2.gz QFVCLHZEVXEKSQ-SFHVURJKSA-N -1 3 397.504 3.655 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000737246278 598299001 /nfs/dbraw/zinc/29/90/01/598299001.db2.gz RQHXLTYTJWNWKN-UHFFFAOYSA-N -1 3 375.263 3.748 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000737246278 598299002 /nfs/dbraw/zinc/29/90/02/598299002.db2.gz RQHXLTYTJWNWKN-UHFFFAOYSA-N -1 3 375.263 3.748 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Nc1ccccc1 ZINC000738101505 598309722 /nfs/dbraw/zinc/30/97/22/598309722.db2.gz GWTBQSGPFXJVIN-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Nc1ccccc1 ZINC000738101505 598309723 /nfs/dbraw/zinc/30/97/23/598309723.db2.gz GWTBQSGPFXJVIN-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM CN(C(=O)c1ccc(SC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741243 598309908 /nfs/dbraw/zinc/30/99/08/598309908.db2.gz DANHKHMREDUJEL-UHFFFAOYSA-N -1 3 379.367 3.597 20 0 GHADHM CN(C(=O)c1ccc(SC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741243 598309910 /nfs/dbraw/zinc/30/99/10/598309910.db2.gz DANHKHMREDUJEL-UHFFFAOYSA-N -1 3 379.367 3.597 20 0 GHADHM CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736743081 598310218 /nfs/dbraw/zinc/31/02/18/598310218.db2.gz YQKRYBXEGCEVHH-UHFFFAOYSA-N -1 3 397.357 3.894 20 0 GHADHM CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736743081 598310220 /nfs/dbraw/zinc/31/02/20/598310220.db2.gz YQKRYBXEGCEVHH-UHFFFAOYSA-N -1 3 397.357 3.894 20 0 GHADHM CSc1ccc(Cl)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737189015 598310810 /nfs/dbraw/zinc/31/08/10/598310810.db2.gz BPJXEGOKXLNMLD-UHFFFAOYSA-N -1 3 377.832 3.658 20 0 GHADHM CSc1ccc(Cl)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737189015 598310812 /nfs/dbraw/zinc/31/08/12/598310812.db2.gz BPJXEGOKXLNMLD-UHFFFAOYSA-N -1 3 377.832 3.658 20 0 GHADHM Cc1csc(-c2cccc(OCCOc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737447488 598313124 /nfs/dbraw/zinc/31/31/24/598313124.db2.gz CPRXMKATKZNAAQ-UHFFFAOYSA-N -1 3 379.445 3.756 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1SC(F)F ZINC000738100246 598322679 /nfs/dbraw/zinc/32/26/79/598322679.db2.gz MHFBIOAUFNNKBA-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1SC(F)F ZINC000738100246 598322682 /nfs/dbraw/zinc/32/26/82/598322682.db2.gz MHFBIOAUFNNKBA-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM Fc1cccc2c1CC[C@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737663184 598322770 /nfs/dbraw/zinc/32/27/70/598322770.db2.gz HFMSDSJJLBCVMN-OAHLLOKOSA-N -1 3 388.859 3.633 20 0 GHADHM Fc1cccc2c1CC[C@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737663184 598322772 /nfs/dbraw/zinc/32/27/72/598322772.db2.gz HFMSDSJJLBCVMN-OAHLLOKOSA-N -1 3 388.859 3.633 20 0 GHADHM CC(C)CCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735819520 598323243 /nfs/dbraw/zinc/32/32/43/598323243.db2.gz XCEQGZLLPNLUIT-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM CC(C)CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735819520 598323245 /nfs/dbraw/zinc/32/32/45/598323245.db2.gz XCEQGZLLPNLUIT-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735848934 598323601 /nfs/dbraw/zinc/32/36/01/598323601.db2.gz COAYZNFTIYPEEB-CQSZACIVSA-N -1 3 396.470 3.765 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735848934 598323602 /nfs/dbraw/zinc/32/36/02/598323602.db2.gz COAYZNFTIYPEEB-CQSZACIVSA-N -1 3 396.470 3.765 20 0 GHADHM O=C(Nc1cccc(Cl)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738182048 598324421 /nfs/dbraw/zinc/32/44/21/598324421.db2.gz DSYCGKGZAPNQEU-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1cccc(Cl)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738182048 598324423 /nfs/dbraw/zinc/32/44/23/598324423.db2.gz DSYCGKGZAPNQEU-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(OC[C@@H]1CC=CCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738221423 598326041 /nfs/dbraw/zinc/32/60/41/598326041.db2.gz WOOULSQMRLIQDI-CQSZACIVSA-N -1 3 380.404 3.552 20 0 GHADHM O=C(OC[C@@H]1CC=CCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738221423 598326043 /nfs/dbraw/zinc/32/60/43/598326043.db2.gz WOOULSQMRLIQDI-CQSZACIVSA-N -1 3 380.404 3.552 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736248560 598326878 /nfs/dbraw/zinc/32/68/78/598326878.db2.gz JEGOWMOSCWPHSN-LSDHHAIUSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@H]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736248560 598326881 /nfs/dbraw/zinc/32/68/81/598326881.db2.gz JEGOWMOSCWPHSN-LSDHHAIUSA-N -1 3 395.463 3.595 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736396847 598327734 /nfs/dbraw/zinc/32/77/34/598327734.db2.gz PABSXAFEFBGJGH-SFHVURJKSA-N -1 3 382.443 3.689 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736396847 598327736 /nfs/dbraw/zinc/32/77/36/598327736.db2.gz PABSXAFEFBGJGH-SFHVURJKSA-N -1 3 382.443 3.689 20 0 GHADHM CCN(C(=O)c1csc(C(C)(C)C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509326 598327719 /nfs/dbraw/zinc/32/77/19/598327719.db2.gz UVOWGFHCLWHPFC-GFCCVEGCSA-N -1 3 384.509 3.844 20 0 GHADHM CCN(C(=O)c1csc(C(C)(C)C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509326 598327720 /nfs/dbraw/zinc/32/77/20/598327720.db2.gz UVOWGFHCLWHPFC-GFCCVEGCSA-N -1 3 384.509 3.844 20 0 GHADHM CO[C@H](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736957735 598360573 /nfs/dbraw/zinc/36/05/73/598360573.db2.gz KLHAKZYWRGAADY-CQSZACIVSA-N -1 3 396.451 3.514 20 0 GHADHM CO[C@H](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736957735 598360574 /nfs/dbraw/zinc/36/05/74/598360574.db2.gz KLHAKZYWRGAADY-CQSZACIVSA-N -1 3 396.451 3.514 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113472 598361912 /nfs/dbraw/zinc/36/19/12/598361912.db2.gz OLXLADWLORGKMU-OXQOHEQNSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113472 598361914 /nfs/dbraw/zinc/36/19/14/598361914.db2.gz OLXLADWLORGKMU-OXQOHEQNSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1F ZINC000735973063 598364446 /nfs/dbraw/zinc/36/44/46/598364446.db2.gz CAGLAMQSOCNRGA-AWEZNQCLSA-N -1 3 379.439 3.691 20 0 GHADHM C[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1F ZINC000735973063 598364448 /nfs/dbraw/zinc/36/44/48/598364448.db2.gz CAGLAMQSOCNRGA-AWEZNQCLSA-N -1 3 379.439 3.691 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737292870 598373285 /nfs/dbraw/zinc/37/32/85/598373285.db2.gz XIWKZMNZEMLIAH-KRWDZBQOSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000737292870 598373288 /nfs/dbraw/zinc/37/32/88/598373288.db2.gz XIWKZMNZEMLIAH-KRWDZBQOSA-N -1 3 376.464 3.662 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000736480807 598392311 /nfs/dbraw/zinc/39/23/11/598392311.db2.gz NKPIZAZUSKSNQG-HXUWFJFHSA-N -1 3 390.491 3.784 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000736480807 598392313 /nfs/dbraw/zinc/39/23/13/598392313.db2.gz NKPIZAZUSKSNQG-HXUWFJFHSA-N -1 3 390.491 3.784 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000735502647 598393576 /nfs/dbraw/zinc/39/35/76/598393576.db2.gz BOEKWICXMUOUSP-MRVPVSSYSA-N -1 3 387.490 3.569 20 0 GHADHM CC(=O)c1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000735502647 598393578 /nfs/dbraw/zinc/39/35/78/598393578.db2.gz BOEKWICXMUOUSP-MRVPVSSYSA-N -1 3 387.490 3.569 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000737343036 598414798 /nfs/dbraw/zinc/41/47/98/598414798.db2.gz KZQFTICOXJPBAN-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000737343036 598414800 /nfs/dbraw/zinc/41/48/00/598414800.db2.gz KZQFTICOXJPBAN-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CC(C)CN(C(=S)Nc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735828038 598416223 /nfs/dbraw/zinc/41/62/23/598416223.db2.gz YZKYPYTVUZIRRS-UHFFFAOYSA-N -1 3 387.900 3.775 20 0 GHADHM CC(C)CN(C(=S)Nc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735828038 598416224 /nfs/dbraw/zinc/41/62/24/598416224.db2.gz YZKYPYTVUZIRRS-UHFFFAOYSA-N -1 3 387.900 3.775 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736189067 598416677 /nfs/dbraw/zinc/41/66/77/598416677.db2.gz ADSIJJZTRGKOMV-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736189067 598416679 /nfs/dbraw/zinc/41/66/79/598416679.db2.gz ADSIJJZTRGKOMV-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1 ZINC000737344260 598417337 /nfs/dbraw/zinc/41/73/37/598417337.db2.gz CKMYJZDFALFIKK-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000737344260 598417338 /nfs/dbraw/zinc/41/73/38/598417338.db2.gz CKMYJZDFALFIKK-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736733823 598420922 /nfs/dbraw/zinc/42/09/22/598420922.db2.gz ZNBYEWXCNFFABB-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736733823 598420924 /nfs/dbraw/zinc/42/09/24/598420924.db2.gz ZNBYEWXCNFFABB-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM CSc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737189782 598421506 /nfs/dbraw/zinc/42/15/06/598421506.db2.gz BWDRNVJZPILVQE-UHFFFAOYSA-N -1 3 375.479 3.690 20 0 GHADHM CSc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737189782 598421507 /nfs/dbraw/zinc/42/15/07/598421507.db2.gz BWDRNVJZPILVQE-UHFFFAOYSA-N -1 3 375.479 3.690 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000737154271 598421550 /nfs/dbraw/zinc/42/15/50/598421550.db2.gz YWLXGQKUILIJLQ-NSHDSACASA-N -1 3 385.493 3.761 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000737154271 598421552 /nfs/dbraw/zinc/42/15/52/598421552.db2.gz YWLXGQKUILIJLQ-NSHDSACASA-N -1 3 385.493 3.761 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253057 598423020 /nfs/dbraw/zinc/42/30/20/598423020.db2.gz OTOBZYWVDBPZLQ-OAHLLOKOSA-N -1 3 381.505 3.594 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253057 598423022 /nfs/dbraw/zinc/42/30/22/598423022.db2.gz OTOBZYWVDBPZLQ-OAHLLOKOSA-N -1 3 381.505 3.594 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736162114 598426275 /nfs/dbraw/zinc/42/62/75/598426275.db2.gz AKXRYNQOGPZHDY-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736162114 598426277 /nfs/dbraw/zinc/42/62/77/598426277.db2.gz AKXRYNQOGPZHDY-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](SCc1ccccc1)C(C)C ZINC000737056243 598443993 /nfs/dbraw/zinc/44/39/93/598443993.db2.gz APDRHMGPWAJSEX-SFHVURJKSA-N -1 3 397.504 3.772 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](SCc1ccccc1)C(C)C ZINC000737056243 598443995 /nfs/dbraw/zinc/44/39/95/598443995.db2.gz APDRHMGPWAJSEX-SFHVURJKSA-N -1 3 397.504 3.772 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737320892 598478021 /nfs/dbraw/zinc/47/80/21/598478021.db2.gz QPOHOSYXWGDLLF-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737320892 598478022 /nfs/dbraw/zinc/47/80/22/598478022.db2.gz QPOHOSYXWGDLLF-HNNXBMFYSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000737544796 598483561 /nfs/dbraw/zinc/48/35/61/598483561.db2.gz AQJWZDFJLCSMTK-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000737544796 598483564 /nfs/dbraw/zinc/48/35/64/598483564.db2.gz AQJWZDFJLCSMTK-LBPRGKRZSA-N -1 3 392.419 3.753 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736638177 598492294 /nfs/dbraw/zinc/49/22/94/598492294.db2.gz VZQVZCHDAITKRD-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736638177 598492295 /nfs/dbraw/zinc/49/22/95/598492295.db2.gz VZQVZCHDAITKRD-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737820468 598493763 /nfs/dbraw/zinc/49/37/63/598493763.db2.gz JYDNGNLVPNXEBV-ZDUSSCGKSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737820468 598493764 /nfs/dbraw/zinc/49/37/64/598493764.db2.gz JYDNGNLVPNXEBV-ZDUSSCGKSA-N -1 3 379.489 3.866 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000736478458 598498101 /nfs/dbraw/zinc/49/81/01/598498101.db2.gz BBDAPWQRYYPUMS-INIZCTEOSA-N -1 3 377.492 3.971 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000736478458 598498103 /nfs/dbraw/zinc/49/81/03/598498103.db2.gz BBDAPWQRYYPUMS-INIZCTEOSA-N -1 3 377.492 3.971 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCCOc1ccc2ccccc2c1 ZINC000737034247 598522620 /nfs/dbraw/zinc/52/26/20/598522620.db2.gz XXUFGZJQZASAHV-UHFFFAOYSA-N -1 3 376.416 3.876 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCCOc1ccc2ccccc2c1 ZINC000737034247 598522622 /nfs/dbraw/zinc/52/26/22/598522622.db2.gz XXUFGZJQZASAHV-UHFFFAOYSA-N -1 3 376.416 3.876 20 0 GHADHM Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737284267 598535016 /nfs/dbraw/zinc/53/50/16/598535016.db2.gz ICADHIYSMSFDIW-UHFFFAOYSA-N -1 3 392.488 3.709 20 0 GHADHM Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737284267 598535018 /nfs/dbraw/zinc/53/50/18/598535018.db2.gz ICADHIYSMSFDIW-UHFFFAOYSA-N -1 3 392.488 3.709 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738100872 598535359 /nfs/dbraw/zinc/53/53/59/598535359.db2.gz UAEVBKIJOZJAHA-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000738100872 598535361 /nfs/dbraw/zinc/53/53/61/598535361.db2.gz UAEVBKIJOZJAHA-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736188824 598537135 /nfs/dbraw/zinc/53/71/35/598537135.db2.gz QFXDUUMELWNVKL-PIGZYNQJSA-N -1 3 384.823 3.518 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736188824 598537137 /nfs/dbraw/zinc/53/71/37/598537137.db2.gz QFXDUUMELWNVKL-PIGZYNQJSA-N -1 3 384.823 3.518 20 0 GHADHM c1ccc(Oc2ncccc2-c2nnn[n-]2)c(NCc2noc3c2CCCC3)c1 ZINC000738433744 598538633 /nfs/dbraw/zinc/53/86/33/598538633.db2.gz VCMYVILTIPUKKN-UHFFFAOYSA-N -1 3 389.419 3.533 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C ZINC000736628635 598539255 /nfs/dbraw/zinc/53/92/55/598539255.db2.gz RZKJREJTIPSOGL-UHFFFAOYSA-N -1 3 386.839 3.684 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cc(C)ccc1C ZINC000736628635 598539257 /nfs/dbraw/zinc/53/92/57/598539257.db2.gz RZKJREJTIPSOGL-UHFFFAOYSA-N -1 3 386.839 3.684 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735963778 598542527 /nfs/dbraw/zinc/54/25/27/598542527.db2.gz MHSVENVFBOTOHK-ZDUSSCGKSA-N -1 3 380.427 3.838 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735963778 598542528 /nfs/dbraw/zinc/54/25/28/598542528.db2.gz MHSVENVFBOTOHK-ZDUSSCGKSA-N -1 3 380.427 3.838 20 0 GHADHM O=C(CC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737812549 598543069 /nfs/dbraw/zinc/54/30/69/598543069.db2.gz FVXMQMHTKDEZSN-UHFFFAOYSA-N -1 3 383.839 3.838 20 0 GHADHM O=C(CC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737812549 598543070 /nfs/dbraw/zinc/54/30/70/598543070.db2.gz FVXMQMHTKDEZSN-UHFFFAOYSA-N -1 3 383.839 3.838 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000736689772 598543664 /nfs/dbraw/zinc/54/36/64/598543664.db2.gz SNQZNEGIYDQIND-NSHDSACASA-N -1 3 387.390 3.773 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000736689772 598543665 /nfs/dbraw/zinc/54/36/65/598543665.db2.gz SNQZNEGIYDQIND-NSHDSACASA-N -1 3 387.390 3.773 20 0 GHADHM O=C(Cc1cccs1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737975483 598544267 /nfs/dbraw/zinc/54/42/67/598544267.db2.gz PHFLYJFCACDYFT-UHFFFAOYSA-N -1 3 391.456 3.688 20 0 GHADHM O=C(Cc1cccs1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737975483 598544268 /nfs/dbraw/zinc/54/42/68/598544268.db2.gz PHFLYJFCACDYFT-UHFFFAOYSA-N -1 3 391.456 3.688 20 0 GHADHM COc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)c(F)c3)cs2)cc1 ZINC000737057268 598547327 /nfs/dbraw/zinc/54/73/27/598547327.db2.gz PVMVBRNPPIYYBG-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)cs2)cc1 ZINC000737057268 598547328 /nfs/dbraw/zinc/54/73/28/598547328.db2.gz PVMVBRNPPIYYBG-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM CC(C)c1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)cc1 ZINC000735923426 598549588 /nfs/dbraw/zinc/54/95/88/598549588.db2.gz SOFCMJOFJSHFLG-UHFFFAOYSA-N -1 3 380.383 3.758 20 0 GHADHM CC(C)c1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)cc1 ZINC000735923426 598549590 /nfs/dbraw/zinc/54/95/90/598549590.db2.gz SOFCMJOFJSHFLG-UHFFFAOYSA-N -1 3 380.383 3.758 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738254394 598550574 /nfs/dbraw/zinc/55/05/74/598550574.db2.gz LWYGRRMKGQJQMN-INIZCTEOSA-N -1 3 387.365 3.863 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738254394 598550575 /nfs/dbraw/zinc/55/05/75/598550575.db2.gz LWYGRRMKGQJQMN-INIZCTEOSA-N -1 3 387.365 3.863 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc2ccccc21 ZINC000738144212 598551725 /nfs/dbraw/zinc/55/17/25/598551725.db2.gz BESOSWJGNSZAFG-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc2ccccc21 ZINC000738144212 598551727 /nfs/dbraw/zinc/55/17/27/598551727.db2.gz BESOSWJGNSZAFG-UHFFFAOYSA-N -1 3 381.342 3.874 20 0 GHADHM CCCCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736441529 598555072 /nfs/dbraw/zinc/55/50/72/598555072.db2.gz RMIGQKUWADDOMD-IBGZPJMESA-N -1 3 378.480 3.988 20 0 GHADHM CCCCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736441529 598555073 /nfs/dbraw/zinc/55/50/73/598555073.db2.gz RMIGQKUWADDOMD-IBGZPJMESA-N -1 3 378.480 3.988 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000737275107 598561911 /nfs/dbraw/zinc/56/19/11/598561911.db2.gz QHRFGQKSAHUISV-UHFFFAOYSA-N -1 3 377.364 3.599 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000737275107 598561913 /nfs/dbraw/zinc/56/19/13/598561913.db2.gz QHRFGQKSAHUISV-UHFFFAOYSA-N -1 3 377.364 3.599 20 0 GHADHM COc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1OC ZINC000737133145 598576389 /nfs/dbraw/zinc/57/63/89/598576389.db2.gz XZBFBDQFXOHVGP-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1OC ZINC000737133145 598576391 /nfs/dbraw/zinc/57/63/91/598576391.db2.gz XZBFBDQFXOHVGP-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM FC(F)(F)c1cc(N2CCCN(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737631490 598576629 /nfs/dbraw/zinc/57/66/29/598576629.db2.gz DWCFSEFZVLRBAY-UHFFFAOYSA-N -1 3 388.397 3.602 20 0 GHADHM FC(F)(F)c1cc(N2CCCN(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737631490 598576631 /nfs/dbraw/zinc/57/66/31/598576631.db2.gz DWCFSEFZVLRBAY-UHFFFAOYSA-N -1 3 388.397 3.602 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC000736290574 598577156 /nfs/dbraw/zinc/57/71/56/598577156.db2.gz QZLSJBIBRFRZID-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC000736290574 598577158 /nfs/dbraw/zinc/57/71/58/598577158.db2.gz QZLSJBIBRFRZID-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM Fc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737658199 598582438 /nfs/dbraw/zinc/58/24/38/598582438.db2.gz DTJHKSKULQSRPB-UHFFFAOYSA-N -1 3 396.373 3.511 20 0 GHADHM Fc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737658199 598582439 /nfs/dbraw/zinc/58/24/39/598582439.db2.gz DTJHKSKULQSRPB-UHFFFAOYSA-N -1 3 396.373 3.511 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738163216 598583738 /nfs/dbraw/zinc/58/37/38/598583738.db2.gz QADHRRUXYSDVNJ-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738163216 598583740 /nfs/dbraw/zinc/58/37/40/598583740.db2.gz QADHRRUXYSDVNJ-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM CCC(CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736338555 598593009 /nfs/dbraw/zinc/59/30/09/598593009.db2.gz XIZDDYWXLPPMAV-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM CCC(CC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736338555 598593011 /nfs/dbraw/zinc/59/30/11/598593011.db2.gz XIZDDYWXLPPMAV-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000738165902 598598196 /nfs/dbraw/zinc/59/81/96/598598196.db2.gz GIYUQARPXAAOGW-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000738165902 598598197 /nfs/dbraw/zinc/59/81/97/598598197.db2.gz GIYUQARPXAAOGW-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000737898920 598603878 /nfs/dbraw/zinc/60/38/78/598603878.db2.gz MXSHLYBQCQUNGC-UHFFFAOYSA-N -1 3 388.406 3.723 20 0 GHADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000737898920 598603879 /nfs/dbraw/zinc/60/38/79/598603879.db2.gz MXSHLYBQCQUNGC-UHFFFAOYSA-N -1 3 388.406 3.723 20 0 GHADHM c1cncc(COc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)cc2)c1 ZINC000738446281 598611589 /nfs/dbraw/zinc/61/15/89/598611589.db2.gz TYVHDNFUQHYOBC-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cncc(COc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)cc2)c1 ZINC000738446281 598611591 /nfs/dbraw/zinc/61/15/91/598611591.db2.gz TYVHDNFUQHYOBC-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)cn2)cc1 ZINC000738432631 598611755 /nfs/dbraw/zinc/61/17/55/598611755.db2.gz IVBILWHSQCOBGB-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)cn2)cc1 ZINC000738432631 598611756 /nfs/dbraw/zinc/61/17/56/598611756.db2.gz IVBILWHSQCOBGB-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000737065149 598632916 /nfs/dbraw/zinc/63/29/16/598632916.db2.gz IIVGCTRUDWZHHZ-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM COc1ccc(C(=O)C2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000737065149 598632917 /nfs/dbraw/zinc/63/29/17/598632917.db2.gz IIVGCTRUDWZHHZ-UHFFFAOYSA-N -1 3 397.866 3.628 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1cccc(C)c1 ZINC000736714231 598643286 /nfs/dbraw/zinc/64/32/86/598643286.db2.gz QCYPXBBSLOLXEK-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1cccc(C)c1 ZINC000736714231 598643287 /nfs/dbraw/zinc/64/32/87/598643287.db2.gz QCYPXBBSLOLXEK-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000737651884 598644026 /nfs/dbraw/zinc/64/40/26/598644026.db2.gz ZDQDIURGTWYXQT-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000737651884 598644027 /nfs/dbraw/zinc/64/40/27/598644027.db2.gz ZDQDIURGTWYXQT-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2n[nH]c(C=Cc3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000737647431 598644780 /nfs/dbraw/zinc/64/47/80/598644780.db2.gz DTQXDEVQJAMZTA-RMKNXTFCSA-N -1 3 379.424 3.587 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737827569 598645631 /nfs/dbraw/zinc/64/56/31/598645631.db2.gz ZLVLUVRFRFZGKN-GOSISDBHSA-N -1 3 378.432 3.788 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737827569 598645633 /nfs/dbraw/zinc/64/56/33/598645633.db2.gz ZLVLUVRFRFZGKN-GOSISDBHSA-N -1 3 378.432 3.788 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000737948101 598646159 /nfs/dbraw/zinc/64/61/59/598646159.db2.gz PBNZWRHMYVVZQP-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000737948101 598646160 /nfs/dbraw/zinc/64/61/60/598646160.db2.gz PBNZWRHMYVVZQP-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)cc2cccnc21 ZINC000737942240 598650631 /nfs/dbraw/zinc/65/06/31/598650631.db2.gz WKECUZULGKJJIA-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)cc2cccnc21 ZINC000737942240 598650632 /nfs/dbraw/zinc/65/06/32/598650632.db2.gz WKECUZULGKJJIA-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccco1)c1ccccc1 ZINC000737941894 598650961 /nfs/dbraw/zinc/65/09/61/598650961.db2.gz FXICLRBLWHMGAJ-UHFFFAOYSA-N -1 3 391.456 3.785 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccco1)c1ccccc1 ZINC000737941894 598650963 /nfs/dbraw/zinc/65/09/63/598650963.db2.gz FXICLRBLWHMGAJ-UHFFFAOYSA-N -1 3 391.456 3.785 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736829100 598652447 /nfs/dbraw/zinc/65/24/47/598652447.db2.gz XEDHRSYOXWAOLY-UHFFFAOYSA-N -1 3 389.484 3.771 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736829100 598652448 /nfs/dbraw/zinc/65/24/48/598652448.db2.gz XEDHRSYOXWAOLY-UHFFFAOYSA-N -1 3 389.484 3.771 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737825082 598653870 /nfs/dbraw/zinc/65/38/70/598653870.db2.gz JUUXJYCQRYMLNQ-CYBMUJFWSA-N -1 3 389.525 3.875 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737825082 598653872 /nfs/dbraw/zinc/65/38/72/598653872.db2.gz JUUXJYCQRYMLNQ-CYBMUJFWSA-N -1 3 389.525 3.875 20 0 GHADHM CCC1CCC(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736397599 598654413 /nfs/dbraw/zinc/65/44/13/598654413.db2.gz VTQQPZAIICUHJJ-UHFFFAOYSA-N -1 3 385.512 3.748 20 0 GHADHM CCC1CCC(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736397599 598654414 /nfs/dbraw/zinc/65/44/14/598654414.db2.gz VTQQPZAIICUHJJ-UHFFFAOYSA-N -1 3 385.512 3.748 20 0 GHADHM CC1(C)CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736214936 598654774 /nfs/dbraw/zinc/65/47/74/598654774.db2.gz XQYNCEWNOCZZCY-SFHVURJKSA-N -1 3 379.489 3.569 20 0 GHADHM CC1(C)CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000736214936 598654775 /nfs/dbraw/zinc/65/47/75/598654775.db2.gz XQYNCEWNOCZZCY-SFHVURJKSA-N -1 3 379.489 3.569 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736441344 598657170 /nfs/dbraw/zinc/65/71/70/598657170.db2.gz PYFVCHDYZMFMPG-LPHOPBHVSA-N -1 3 385.512 3.891 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736441344 598657172 /nfs/dbraw/zinc/65/71/72/598657172.db2.gz PYFVCHDYZMFMPG-LPHOPBHVSA-N -1 3 385.512 3.891 20 0 GHADHM O=C(Nc1cnc(C2CC2)nc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738198287 598661017 /nfs/dbraw/zinc/66/10/17/598661017.db2.gz POQBVOHZQCXXDS-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1cnc(C2CC2)nc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738198287 598661019 /nfs/dbraw/zinc/66/10/19/598661019.db2.gz POQBVOHZQCXXDS-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000737341486 598664046 /nfs/dbraw/zinc/66/40/46/598664046.db2.gz LGIAAVSXXKLGAN-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737341486 598664047 /nfs/dbraw/zinc/66/40/47/598664047.db2.gz LGIAAVSXXKLGAN-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Clc1cc(N2CCc3c(Br)cccc3C2)ccc1-c1nnn[n-]1 ZINC000737567178 598668626 /nfs/dbraw/zinc/66/86/26/598668626.db2.gz YGTNOOVANGWQRM-UHFFFAOYSA-N -1 3 390.672 3.845 20 0 GHADHM Clc1cc(N2CCc3c(Br)cccc3C2)ccc1-c1nn[n-]n1 ZINC000737567178 598668627 /nfs/dbraw/zinc/66/86/27/598668627.db2.gz YGTNOOVANGWQRM-UHFFFAOYSA-N -1 3 390.672 3.845 20 0 GHADHM COc1ccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000737096181 598674732 /nfs/dbraw/zinc/67/47/32/598674732.db2.gz RYVRNPQOQAAYFO-UHFFFAOYSA-N -1 3 394.479 3.821 20 0 GHADHM COc1ccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000737096181 598674733 /nfs/dbraw/zinc/67/47/33/598674733.db2.gz RYVRNPQOQAAYFO-UHFFFAOYSA-N -1 3 394.479 3.821 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821782522 607364175 /nfs/dbraw/zinc/36/41/75/607364175.db2.gz HFDBUGOKMMZSLD-LJQANCHMSA-N -1 3 377.448 3.633 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821782522 607364177 /nfs/dbraw/zinc/36/41/77/607364177.db2.gz HFDBUGOKMMZSLD-LJQANCHMSA-N -1 3 377.448 3.633 20 0 GHADHM CCCN(Cc1nc2c(cccc2F)n1CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480831 598679843 /nfs/dbraw/zinc/67/98/43/598679843.db2.gz NOTUFMQVBUAQFA-UHFFFAOYSA-N -1 3 393.470 3.788 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000736191902 598696377 /nfs/dbraw/zinc/69/63/77/598696377.db2.gz XSHKRBVIQBHZPV-KOFHJDLBSA-N -1 3 391.516 3.568 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000736191902 598696379 /nfs/dbraw/zinc/69/63/79/598696379.db2.gz XSHKRBVIQBHZPV-KOFHJDLBSA-N -1 3 391.516 3.568 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735873171 598697213 /nfs/dbraw/zinc/69/72/13/598697213.db2.gz AORXUOLJYFIKHK-UHFFFAOYSA-N -1 3 399.495 3.676 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735873171 598697215 /nfs/dbraw/zinc/69/72/15/598697215.db2.gz AORXUOLJYFIKHK-UHFFFAOYSA-N -1 3 399.495 3.676 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000737356047 598697739 /nfs/dbraw/zinc/69/77/39/598697739.db2.gz OINUKYIIGVPBTF-NSHDSACASA-N -1 3 389.431 3.714 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000737356047 598697742 /nfs/dbraw/zinc/69/77/42/598697742.db2.gz OINUKYIIGVPBTF-NSHDSACASA-N -1 3 389.431 3.714 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1occc1COc1ccccc1 ZINC000738236387 598705728 /nfs/dbraw/zinc/70/57/28/598705728.db2.gz XHJOHGGLVSPBQH-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1occc1COc1ccccc1 ZINC000738236387 598705730 /nfs/dbraw/zinc/70/57/30/598705730.db2.gz XHJOHGGLVSPBQH-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000736155152 598713277 /nfs/dbraw/zinc/71/32/77/598713277.db2.gz IRKRTWVOUBGYCQ-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000736155152 598713279 /nfs/dbraw/zinc/71/32/79/598713279.db2.gz IRKRTWVOUBGYCQ-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM CC(C)c1cc(=O)oc2cc(OCCOc3ccccc3-c3nnn[n-]3)ccc21 ZINC000735921333 598717721 /nfs/dbraw/zinc/71/77/21/598717721.db2.gz PGMYKWOPYYXERS-UHFFFAOYSA-N -1 3 392.415 3.554 20 0 GHADHM CC(C)c1cc(=O)oc2cc(OCCOc3ccccc3-c3nn[n-]n3)ccc21 ZINC000735921333 598717723 /nfs/dbraw/zinc/71/77/23/598717723.db2.gz PGMYKWOPYYXERS-UHFFFAOYSA-N -1 3 392.415 3.554 20 0 GHADHM Cc1sc2nc([C@H](C)Sc3ccc(-c4nnn[n-]4)cc3)nc(N)c2c1C ZINC000737563540 598719780 /nfs/dbraw/zinc/71/97/80/598719780.db2.gz NBTPWEKZMUVEIB-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc([C@H](C)Sc3ccc(-c4nn[n-]n4)cc3)nc(N)c2c1C ZINC000737563540 598719781 /nfs/dbraw/zinc/71/97/81/598719781.db2.gz NBTPWEKZMUVEIB-JTQLQIEISA-N -1 3 383.506 3.924 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115503 598723743 /nfs/dbraw/zinc/72/37/43/598723743.db2.gz YMOLZXOKTYERQE-AWEZNQCLSA-N -1 3 394.454 3.836 20 0 GHADHM C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115503 598723744 /nfs/dbraw/zinc/72/37/44/598723744.db2.gz YMOLZXOKTYERQE-AWEZNQCLSA-N -1 3 394.454 3.836 20 0 GHADHM CCOC(=O)c1sc(NC(=O)CCCC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000736606339 598734612 /nfs/dbraw/zinc/73/46/12/598734612.db2.gz ZUWXHTJTIILAAP-UHFFFAOYSA-N -1 3 379.486 3.568 20 0 GHADHM CCOC(=O)c1sc(NC(=O)CCCC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000736606339 598734614 /nfs/dbraw/zinc/73/46/14/598734614.db2.gz ZUWXHTJTIILAAP-UHFFFAOYSA-N -1 3 379.486 3.568 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccco3)s2)c1-c1nnn[n-]1 ZINC000736674201 598737600 /nfs/dbraw/zinc/73/76/00/598737600.db2.gz ANPJTULWUJHZSI-UHFFFAOYSA-N -1 3 386.462 3.768 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(-c3ccco3)s2)c1-c1nn[n-]n1 ZINC000736674201 598737602 /nfs/dbraw/zinc/73/76/02/598737602.db2.gz ANPJTULWUJHZSI-UHFFFAOYSA-N -1 3 386.462 3.768 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)sc2C)s1 ZINC000737288507 598748740 /nfs/dbraw/zinc/74/87/40/598748740.db2.gz NZVHXYIEFNGOBB-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)sc2C)s1 ZINC000737288507 598748741 /nfs/dbraw/zinc/74/87/41/598748741.db2.gz NZVHXYIEFNGOBB-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736193182 598751446 /nfs/dbraw/zinc/75/14/46/598751446.db2.gz PZGANZDGYLNCFO-VIFPVBQESA-N -1 3 399.867 3.516 20 0 GHADHM C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736193182 598751447 /nfs/dbraw/zinc/75/14/47/598751447.db2.gz PZGANZDGYLNCFO-VIFPVBQESA-N -1 3 399.867 3.516 20 0 GHADHM COCCSc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737015066 598755532 /nfs/dbraw/zinc/75/55/32/598755532.db2.gz SONPJGUIRDDHFV-LLVKDONJSA-N -1 3 390.900 3.827 20 0 GHADHM COCCSc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737015066 598755533 /nfs/dbraw/zinc/75/55/33/598755533.db2.gz SONPJGUIRDDHFV-LLVKDONJSA-N -1 3 390.900 3.827 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737420676 598759311 /nfs/dbraw/zinc/75/93/11/598759311.db2.gz IWDTXDIIXAJGQP-LJQANCHMSA-N -1 3 378.480 3.714 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737420676 598759314 /nfs/dbraw/zinc/75/93/14/598759314.db2.gz IWDTXDIIXAJGQP-LJQANCHMSA-N -1 3 378.480 3.714 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000736480592 598765755 /nfs/dbraw/zinc/76/57/55/598765755.db2.gz SOPKHYJGUVPSCE-INIZCTEOSA-N -1 3 391.475 3.514 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000736480592 598765756 /nfs/dbraw/zinc/76/57/56/598765756.db2.gz SOPKHYJGUVPSCE-INIZCTEOSA-N -1 3 391.475 3.514 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3CCOc4ccccc43)c2c1 ZINC000737644686 598773169 /nfs/dbraw/zinc/77/31/69/598773169.db2.gz JZTXUJSCHCUOHP-NSHDSACASA-N -1 3 394.385 3.671 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3CCOc4ccccc43)c2c1 ZINC000737644686 598773171 /nfs/dbraw/zinc/77/31/71/598773171.db2.gz JZTXUJSCHCUOHP-NSHDSACASA-N -1 3 394.385 3.671 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735589764 598777339 /nfs/dbraw/zinc/77/73/39/598777339.db2.gz OERKHOQMBJBSIE-QGZVFWFLSA-N -1 3 398.442 3.621 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735589764 598777341 /nfs/dbraw/zinc/77/73/41/598777341.db2.gz OERKHOQMBJBSIE-QGZVFWFLSA-N -1 3 398.442 3.621 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736209584 598780995 /nfs/dbraw/zinc/78/09/95/598780995.db2.gz ANHAPVGTKPUDKF-ZDUSSCGKSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736209584 598780996 /nfs/dbraw/zinc/78/09/96/598780996.db2.gz ANHAPVGTKPUDKF-ZDUSSCGKSA-N -1 3 378.436 3.827 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CCSCC1 ZINC000738187590 598790766 /nfs/dbraw/zinc/79/07/66/598790766.db2.gz WPKQPTCXMNTXMK-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CCSCC1 ZINC000738187590 598790768 /nfs/dbraw/zinc/79/07/68/598790768.db2.gz WPKQPTCXMNTXMK-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM COc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737048268 598791646 /nfs/dbraw/zinc/79/16/46/598791646.db2.gz YQFMYIRRKHHEFB-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000737048268 598791648 /nfs/dbraw/zinc/79/16/48/598791648.db2.gz YQFMYIRRKHHEFB-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(C(F)F)c1 ZINC000738146182 598792278 /nfs/dbraw/zinc/79/22/78/598792278.db2.gz QSLKNUWGRJDXTI-UHFFFAOYSA-N -1 3 381.289 3.658 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(C(F)F)c1 ZINC000738146182 598792280 /nfs/dbraw/zinc/79/22/80/598792280.db2.gz QSLKNUWGRJDXTI-UHFFFAOYSA-N -1 3 381.289 3.658 20 0 GHADHM COc1ccc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000737090349 598792996 /nfs/dbraw/zinc/79/29/96/598792996.db2.gz FWHRLTDQOZPYEW-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1ccc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000737090349 598792997 /nfs/dbraw/zinc/79/29/97/598792997.db2.gz FWHRLTDQOZPYEW-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM Clc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737574215 598793464 /nfs/dbraw/zinc/79/34/64/598793464.db2.gz MDETWDQYSIGRGY-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM Clc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737574215 598793465 /nfs/dbraw/zinc/79/34/65/598793465.db2.gz MDETWDQYSIGRGY-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736815030 598800568 /nfs/dbraw/zinc/80/05/68/598800568.db2.gz UPPCVVXBJOCPJS-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000736815030 598800570 /nfs/dbraw/zinc/80/05/70/598800570.db2.gz UPPCVVXBJOCPJS-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM O=C(OCc1cc(Br)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000738236933 598800784 /nfs/dbraw/zinc/80/07/84/598800784.db2.gz VRYRSTWDUMICCX-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(OCc1cc(Br)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000738236933 598800785 /nfs/dbraw/zinc/80/07/85/598800785.db2.gz VRYRSTWDUMICCX-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738150694 598807864 /nfs/dbraw/zinc/80/78/64/598807864.db2.gz BRFYEBDHHCWWLF-UHFFFAOYSA-N -1 3 382.786 3.702 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000738150694 598807866 /nfs/dbraw/zinc/80/78/66/598807866.db2.gz BRFYEBDHHCWWLF-UHFFFAOYSA-N -1 3 382.786 3.702 20 0 GHADHM Cc1cc(N(C)[C@H](C)c2cccnc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270989 598815490 /nfs/dbraw/zinc/81/54/90/598815490.db2.gz PYUMINIRNMPOSM-CQSZACIVSA-N -1 3 384.447 3.568 20 0 GHADHM Cc1cc(N(C)[C@H](C)c2cccnc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270989 598815491 /nfs/dbraw/zinc/81/54/91/598815491.db2.gz PYUMINIRNMPOSM-CQSZACIVSA-N -1 3 384.447 3.568 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCCOc1cccc2cccnc21 ZINC000737639378 598816845 /nfs/dbraw/zinc/81/68/45/598816845.db2.gz QAAKPWYGIGMEDG-UHFFFAOYSA-N -1 3 382.374 3.574 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCCOc1cccc2cccnc21 ZINC000737639378 598816846 /nfs/dbraw/zinc/81/68/46/598816846.db2.gz QAAKPWYGIGMEDG-UHFFFAOYSA-N -1 3 382.374 3.574 20 0 GHADHM CCC/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736439539 598821416 /nfs/dbraw/zinc/82/14/16/598821416.db2.gz RCXKITHLPWZYMN-YWEYNIOJSA-N -1 3 381.411 3.880 20 0 GHADHM CCC/C=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736439539 598821417 /nfs/dbraw/zinc/82/14/17/598821417.db2.gz RCXKITHLPWZYMN-YWEYNIOJSA-N -1 3 381.411 3.880 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000737120722 599310682 /nfs/dbraw/zinc/31/06/82/599310682.db2.gz SSGGSBKKXBNLID-AWEZNQCLSA-N -1 3 387.443 3.795 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000737120722 599310685 /nfs/dbraw/zinc/31/06/85/599310685.db2.gz SSGGSBKKXBNLID-AWEZNQCLSA-N -1 3 387.443 3.795 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(Br)cccc2C1 ZINC000736201284 599312044 /nfs/dbraw/zinc/31/20/44/599312044.db2.gz WPCWVYUMPPNICL-GFCCVEGCSA-N -1 3 384.281 3.749 20 0 GHADHM FC(F)(F)Cc1ccccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737625487 599331478 /nfs/dbraw/zinc/33/14/78/599331478.db2.gz AUNKDNZYRRBUAP-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000736188561 599333373 /nfs/dbraw/zinc/33/33/73/599333373.db2.gz LCTOWHOQQRZQIM-STQMWFEESA-N -1 3 385.468 3.505 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000736188561 599333376 /nfs/dbraw/zinc/33/33/76/599333376.db2.gz LCTOWHOQQRZQIM-STQMWFEESA-N -1 3 385.468 3.505 20 0 GHADHM C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456930 599365509 /nfs/dbraw/zinc/36/55/09/599365509.db2.gz XHWSNXYQBIHKRW-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456930 599365510 /nfs/dbraw/zinc/36/55/10/599365510.db2.gz XHWSNXYQBIHKRW-LBPRGKRZSA-N -1 3 382.855 3.820 20 0 GHADHM CCCCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821066641 599387044 /nfs/dbraw/zinc/38/70/44/599387044.db2.gz VNMULNUPTHKPMN-ZDUSSCGKSA-N -1 3 398.442 3.515 20 0 GHADHM CCCCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821066641 599387047 /nfs/dbraw/zinc/38/70/47/599387047.db2.gz VNMULNUPTHKPMN-ZDUSSCGKSA-N -1 3 398.442 3.515 20 0 GHADHM CSC[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737175465 599390277 /nfs/dbraw/zinc/39/02/77/599390277.db2.gz DNBCWOFYWRQSIB-CYBMUJFWSA-N -1 3 399.545 3.640 20 0 GHADHM CSC[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737175465 599390280 /nfs/dbraw/zinc/39/02/80/599390280.db2.gz DNBCWOFYWRQSIB-CYBMUJFWSA-N -1 3 399.545 3.640 20 0 GHADHM C[C@H](NC(=O)NCCc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820364902 599408268 /nfs/dbraw/zinc/40/82/68/599408268.db2.gz GDJDNGIKVHKXCO-HNNXBMFYSA-N -1 3 386.459 3.623 20 0 GHADHM C[C@H](NC(=O)NCCc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820364902 599408270 /nfs/dbraw/zinc/40/82/70/599408270.db2.gz GDJDNGIKVHKXCO-HNNXBMFYSA-N -1 3 386.459 3.623 20 0 GHADHM Clc1ccc([C@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1 ZINC000737571179 599415017 /nfs/dbraw/zinc/41/50/17/599415017.db2.gz VKYLJNNOBWOAIV-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1 ZINC000737571179 599415018 /nfs/dbraw/zinc/41/50/18/599415018.db2.gz VKYLJNNOBWOAIV-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820155737 599416690 /nfs/dbraw/zinc/41/66/90/599416690.db2.gz VYNJMHCGNHFMEM-HUUCEWRRSA-N -1 3 394.479 3.775 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820155737 599416694 /nfs/dbraw/zinc/41/66/94/599416694.db2.gz VYNJMHCGNHFMEM-HUUCEWRRSA-N -1 3 394.479 3.775 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820664436 599417202 /nfs/dbraw/zinc/41/72/02/599417202.db2.gz AAWPFZTZJQSANT-OCBCSQNSSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820664436 599417203 /nfs/dbraw/zinc/41/72/03/599417203.db2.gz AAWPFZTZJQSANT-OCBCSQNSSA-N -1 3 396.882 3.717 20 0 GHADHM c1ccc(OCC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738435208 599417757 /nfs/dbraw/zinc/41/77/57/599417757.db2.gz ITDAHDOCMBCHJJ-UHFFFAOYSA-N -1 3 386.459 3.710 20 0 GHADHM c1ccc(OCC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738435208 599417760 /nfs/dbraw/zinc/41/77/60/599417760.db2.gz ITDAHDOCMBCHJJ-UHFFFAOYSA-N -1 3 386.459 3.710 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212934 599420433 /nfs/dbraw/zinc/42/04/33/599420433.db2.gz NLHGOJLDHFNIRT-DYVFJYSZSA-N -1 3 394.479 3.842 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212934 599420435 /nfs/dbraw/zinc/42/04/35/599420435.db2.gz NLHGOJLDHFNIRT-DYVFJYSZSA-N -1 3 394.479 3.842 20 0 GHADHM Fc1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)ccc1Br ZINC000737643269 599420811 /nfs/dbraw/zinc/42/08/11/599420811.db2.gz DUBHIOJDXISKTR-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM Fc1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)ccc1Br ZINC000737643269 599420812 /nfs/dbraw/zinc/42/08/12/599420812.db2.gz DUBHIOJDXISKTR-UHFFFAOYSA-N -1 3 399.227 3.929 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820358317 599422587 /nfs/dbraw/zinc/42/25/87/599422587.db2.gz MIHJJOUBIFJPGU-DIFFPNOSSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820358317 599422589 /nfs/dbraw/zinc/42/25/89/599422589.db2.gz MIHJJOUBIFJPGU-DIFFPNOSSA-N -1 3 382.855 3.568 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738383857 599435322 /nfs/dbraw/zinc/43/53/22/599435322.db2.gz CIJRCESXWSAOGD-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@@H](c1ccc(F)cc1)C1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738383857 599435325 /nfs/dbraw/zinc/43/53/25/599435325.db2.gz CIJRCESXWSAOGD-SFHVURJKSA-N -1 3 387.846 3.609 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1Cn1nc(C)nc1-c1ccc2ccccc2c1 ZINC000821752018 607379006 /nfs/dbraw/zinc/37/90/06/607379006.db2.gz FELDBALJUWWLPZ-UHFFFAOYSA-N -1 3 397.442 3.644 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000822586103 599472786 /nfs/dbraw/zinc/47/27/86/599472786.db2.gz SBKSZPYPACMZFG-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000822586103 599472787 /nfs/dbraw/zinc/47/27/87/599472787.db2.gz SBKSZPYPACMZFG-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913654 599476734 /nfs/dbraw/zinc/47/67/34/599476734.db2.gz IOAUNLKBQLDZLH-OXQOHEQNSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913654 599476736 /nfs/dbraw/zinc/47/67/36/599476736.db2.gz IOAUNLKBQLDZLH-OXQOHEQNSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913653 599477197 /nfs/dbraw/zinc/47/71/97/599477197.db2.gz IOAUNLKBQLDZLH-OXJNMPFZSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913653 599477199 /nfs/dbraw/zinc/47/71/99/599477199.db2.gz IOAUNLKBQLDZLH-OXJNMPFZSA-N -1 3 392.507 3.899 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353343 599479028 /nfs/dbraw/zinc/47/90/28/599479028.db2.gz YWECQWAWKWIRPX-FUHWJXTLSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353343 599479030 /nfs/dbraw/zinc/47/90/30/599479030.db2.gz YWECQWAWKWIRPX-FUHWJXTLSA-N -1 3 390.491 3.592 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(c4ccc(F)cc4-c4nnn[n-]4)CC3)c2c1 ZINC000821846231 599493879 /nfs/dbraw/zinc/49/38/79/599493879.db2.gz OMMHKNNRRAJVSG-UHFFFAOYSA-N -1 3 392.438 3.880 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(c4ccc(F)cc4-c4nn[n-]n4)CC3)c2c1 ZINC000821846231 599493881 /nfs/dbraw/zinc/49/38/81/599493881.db2.gz OMMHKNNRRAJVSG-UHFFFAOYSA-N -1 3 392.438 3.880 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000737062319 599501521 /nfs/dbraw/zinc/50/15/21/599501521.db2.gz JATSWFPKKXDAFB-OAHLLOKOSA-N -1 3 382.424 3.618 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000737062319 599501523 /nfs/dbraw/zinc/50/15/23/599501523.db2.gz JATSWFPKKXDAFB-OAHLLOKOSA-N -1 3 382.424 3.618 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@H](CC)c2ccc(F)cc2)n1 ZINC000736604317 599520265 /nfs/dbraw/zinc/52/02/65/599520265.db2.gz VZAGQSXNPCSNPW-OAHLLOKOSA-N -1 3 387.440 3.821 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@H](CC)c2ccc(F)cc2)n1 ZINC000736604317 599520267 /nfs/dbraw/zinc/52/02/67/599520267.db2.gz VZAGQSXNPCSNPW-OAHLLOKOSA-N -1 3 387.440 3.821 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313690 599525621 /nfs/dbraw/zinc/52/56/21/599525621.db2.gz FPDYHNSNAKJWOE-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820313690 599525623 /nfs/dbraw/zinc/52/56/23/599525623.db2.gz FPDYHNSNAKJWOE-RDTXWAMCSA-N -1 3 381.505 3.861 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820236220 607382480 /nfs/dbraw/zinc/38/24/80/607382480.db2.gz ZRQNOXHXIQJPBE-MGPLVRAMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820236220 607382482 /nfs/dbraw/zinc/38/24/82/607382482.db2.gz ZRQNOXHXIQJPBE-MGPLVRAMSA-N -1 3 395.360 3.949 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2nc(-c3ccccc3F)oc2C)s1 ZINC000736679585 599545051 /nfs/dbraw/zinc/54/50/51/599545051.db2.gz XNPNKWULYAJPJQ-UHFFFAOYSA-N -1 3 398.423 3.845 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2nc(-c3ccccc3F)oc2C)s1 ZINC000736679585 599545053 /nfs/dbraw/zinc/54/50/53/599545053.db2.gz XNPNKWULYAJPJQ-UHFFFAOYSA-N -1 3 398.423 3.845 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCCc2sccc2C1 ZINC000822775678 599545640 /nfs/dbraw/zinc/54/56/40/599545640.db2.gz ZPBOGGRTKFLAGC-UHFFFAOYSA-N -1 3 384.415 3.707 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCCc2sccc2C1 ZINC000822775678 599545641 /nfs/dbraw/zinc/54/56/41/599545641.db2.gz ZPBOGGRTKFLAGC-UHFFFAOYSA-N -1 3 384.415 3.707 20 0 GHADHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000735671956 599547291 /nfs/dbraw/zinc/54/72/91/599547291.db2.gz WJOIXYVRSKUZDV-UHFFFAOYSA-N -1 3 387.896 3.664 20 0 GHADHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000735671956 599547293 /nfs/dbraw/zinc/54/72/93/599547293.db2.gz WJOIXYVRSKUZDV-UHFFFAOYSA-N -1 3 387.896 3.664 20 0 GHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736331945 599547990 /nfs/dbraw/zinc/54/79/90/599547990.db2.gz RAXBHCJMGVVSAE-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736331945 599547993 /nfs/dbraw/zinc/54/79/93/599547993.db2.gz RAXBHCJMGVVSAE-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422029 599548784 /nfs/dbraw/zinc/54/87/84/599548784.db2.gz OYEOGAOATDEBFF-RDJZCZTQSA-N -1 3 393.516 3.672 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422029 599548786 /nfs/dbraw/zinc/54/87/86/599548786.db2.gz OYEOGAOATDEBFF-RDJZCZTQSA-N -1 3 393.516 3.672 20 0 GHADHM C[C@H](NC(=O)Nc1ncc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380363 599556336 /nfs/dbraw/zinc/55/63/36/599556336.db2.gz RBWYZGVKSDSXBS-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1ncc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380363 599556338 /nfs/dbraw/zinc/55/63/38/599556338.db2.gz RBWYZGVKSDSXBS-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM O=C(NCc1cccs1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738124124 599563998 /nfs/dbraw/zinc/56/39/98/599563998.db2.gz MPFZKDZRSJKIKO-UHFFFAOYSA-N -1 3 376.445 3.602 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000823690733 599564651 /nfs/dbraw/zinc/56/46/51/599564651.db2.gz SMFGERWGOAHHAO-CYBMUJFWSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000823690733 599564654 /nfs/dbraw/zinc/56/46/54/599564654.db2.gz SMFGERWGOAHHAO-CYBMUJFWSA-N -1 3 384.654 3.972 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1C[C@H]2CCC[C@@H]21 ZINC000738286349 599574833 /nfs/dbraw/zinc/57/48/33/599574833.db2.gz NAYHFLFXVGXJBY-CJNGLKHVSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1C[C@H]2CCC[C@@H]21 ZINC000738286349 599574836 /nfs/dbraw/zinc/57/48/36/599574836.db2.gz NAYHFLFXVGXJBY-CJNGLKHVSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000738278469 599574993 /nfs/dbraw/zinc/57/49/93/599574993.db2.gz LEZQNTLOTRRNGZ-CJNGLKHVSA-N -1 3 395.850 3.937 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000736638036 599610413 /nfs/dbraw/zinc/61/04/13/599610413.db2.gz WWZKVPGHAOZAJR-GFCCVEGCSA-N -1 3 396.426 3.556 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000736638036 599610415 /nfs/dbraw/zinc/61/04/15/599610415.db2.gz WWZKVPGHAOZAJR-GFCCVEGCSA-N -1 3 396.426 3.556 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000821389187 599629530 /nfs/dbraw/zinc/62/95/30/599629530.db2.gz IFUKVZBHIYSNHG-IMJJTQAJSA-N -1 3 388.468 3.545 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000821389187 599629531 /nfs/dbraw/zinc/62/95/31/599629531.db2.gz IFUKVZBHIYSNHG-IMJJTQAJSA-N -1 3 388.468 3.545 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)s1 ZINC000819966090 599630218 /nfs/dbraw/zinc/63/02/18/599630218.db2.gz WDWLQSMLFNOFRM-FPLPWBNLSA-N -1 3 399.524 3.829 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)s1 ZINC000819966090 599630219 /nfs/dbraw/zinc/63/02/19/599630219.db2.gz WDWLQSMLFNOFRM-FPLPWBNLSA-N -1 3 399.524 3.829 20 0 GHADHM O=C([C@H]1CCCS1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822916755 599631646 /nfs/dbraw/zinc/63/16/46/599631646.db2.gz CCKGHQZCJFHXEK-QGZVFWFLSA-N -1 3 399.907 3.949 20 0 GHADHM O=C([C@H]1CCCS1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822916755 599631647 /nfs/dbraw/zinc/63/16/47/599631647.db2.gz CCKGHQZCJFHXEK-QGZVFWFLSA-N -1 3 399.907 3.949 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822235073 599633820 /nfs/dbraw/zinc/63/38/20/599633820.db2.gz QSBSJMMBUWPCDD-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822235073 599633821 /nfs/dbraw/zinc/63/38/21/599633821.db2.gz QSBSJMMBUWPCDD-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM O=C(Cc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823115075 599633991 /nfs/dbraw/zinc/63/39/91/599633991.db2.gz JCOBXMQMLMKXQK-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823115075 599633992 /nfs/dbraw/zinc/63/39/92/599633992.db2.gz JCOBXMQMLMKXQK-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 ZINC000823303872 599634418 /nfs/dbraw/zinc/63/44/18/599634418.db2.gz XOFMBKWYXZEIGU-CQSZACIVSA-N -1 3 387.365 3.944 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 ZINC000823303872 599634419 /nfs/dbraw/zinc/63/44/19/599634419.db2.gz XOFMBKWYXZEIGU-CQSZACIVSA-N -1 3 387.365 3.944 20 0 GHADHM CCc1nc2ccccc2c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821509895 599634634 /nfs/dbraw/zinc/63/46/34/599634634.db2.gz ONJYKPYUOVZWTO-AWEZNQCLSA-N -1 3 386.459 3.777 20 0 GHADHM CCc1nc2ccccc2c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821509895 599634635 /nfs/dbraw/zinc/63/46/35/599634635.db2.gz ONJYKPYUOVZWTO-AWEZNQCLSA-N -1 3 386.459 3.777 20 0 GHADHM CCC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820832275 599647910 /nfs/dbraw/zinc/64/79/10/599647910.db2.gz ISXBWXJGHOBOBH-QINSGFPZSA-N -1 3 381.867 3.972 20 0 GHADHM CCC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820832275 599647911 /nfs/dbraw/zinc/64/79/11/599647911.db2.gz ISXBWXJGHOBOBH-QINSGFPZSA-N -1 3 381.867 3.972 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820967607 599656042 /nfs/dbraw/zinc/65/60/42/599656042.db2.gz QTTHDGPWSYUNID-WMLDXEAASA-N -1 3 377.448 3.920 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967607 599656043 /nfs/dbraw/zinc/65/60/43/599656043.db2.gz QTTHDGPWSYUNID-WMLDXEAASA-N -1 3 377.448 3.920 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820902208 599661604 /nfs/dbraw/zinc/66/16/04/599661604.db2.gz IPWBPUUZWNLQDJ-GOEBONIOSA-N -1 3 399.495 3.734 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820902208 599661605 /nfs/dbraw/zinc/66/16/05/599661605.db2.gz IPWBPUUZWNLQDJ-GOEBONIOSA-N -1 3 399.495 3.734 20 0 GHADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819884425 599665533 /nfs/dbraw/zinc/66/55/33/599665533.db2.gz WPABYTBOJVBPSE-LBPRGKRZSA-N -1 3 381.823 3.620 20 0 GHADHM C[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819884425 599665534 /nfs/dbraw/zinc/66/55/34/599665534.db2.gz WPABYTBOJVBPSE-LBPRGKRZSA-N -1 3 381.823 3.620 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000819965351 599671105 /nfs/dbraw/zinc/67/11/05/599671105.db2.gz CPIPZFGZDPMGRD-FNORWQNLSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000819965351 599671106 /nfs/dbraw/zinc/67/11/06/599671106.db2.gz CPIPZFGZDPMGRD-FNORWQNLSA-N -1 3 387.440 3.516 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821153380 599681322 /nfs/dbraw/zinc/68/13/22/599681322.db2.gz AIUCZMLJAGHUDR-KGLIPLIRSA-N -1 3 382.443 3.860 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821153380 599681323 /nfs/dbraw/zinc/68/13/23/599681323.db2.gz AIUCZMLJAGHUDR-KGLIPLIRSA-N -1 3 382.443 3.860 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000822220635 599692943 /nfs/dbraw/zinc/69/29/43/599692943.db2.gz ZOAFPOFWCCBBKJ-UHFFFAOYSA-N -1 3 382.390 3.665 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000822220635 599692944 /nfs/dbraw/zinc/69/29/44/599692944.db2.gz ZOAFPOFWCCBBKJ-UHFFFAOYSA-N -1 3 382.390 3.665 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820067820 599693469 /nfs/dbraw/zinc/69/34/69/599693469.db2.gz LXENJAGUEJCNAM-NSHDSACASA-N -1 3 382.390 3.785 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820067820 599693470 /nfs/dbraw/zinc/69/34/70/599693470.db2.gz LXENJAGUEJCNAM-NSHDSACASA-N -1 3 382.390 3.785 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821048712 599697780 /nfs/dbraw/zinc/69/77/80/599697780.db2.gz GEMIVIFUGDYFOC-QGZVFWFLSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821048712 599697781 /nfs/dbraw/zinc/69/77/81/599697781.db2.gz GEMIVIFUGDYFOC-QGZVFWFLSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821050709 599699668 /nfs/dbraw/zinc/69/96/68/599699668.db2.gz SYMBIBAFPXMCBD-KRWDZBQOSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821050709 599699669 /nfs/dbraw/zinc/69/96/69/599699669.db2.gz SYMBIBAFPXMCBD-KRWDZBQOSA-N -1 3 395.463 3.929 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1-c1nnn[n-]1 ZINC000820174278 607398950 /nfs/dbraw/zinc/39/89/50/607398950.db2.gz QJMRPMGKLOWNED-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1-c1nn[n-]n1 ZINC000820174278 607398952 /nfs/dbraw/zinc/39/89/52/607398952.db2.gz QJMRPMGKLOWNED-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1-c1nnn[n-]1 ZINC000820173965 607397404 /nfs/dbraw/zinc/39/74/04/607397404.db2.gz NXBNZMGEVZJKIN-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1-c1nn[n-]n1 ZINC000820173965 607397406 /nfs/dbraw/zinc/39/74/06/607397406.db2.gz NXBNZMGEVZJKIN-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000820173886 607399155 /nfs/dbraw/zinc/39/91/55/607399155.db2.gz MLDHCEHLLSGESK-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000820173886 607399156 /nfs/dbraw/zinc/39/91/56/607399156.db2.gz MLDHCEHLLSGESK-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCc3ccncc3)cc2)C(=O)[O-])cc1 ZINC000737967839 599857608 /nfs/dbraw/zinc/85/76/08/599857608.db2.gz DVDFRYPCZOGSJA-NRFANRHFSA-N -1 3 378.428 3.585 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822225213 607402905 /nfs/dbraw/zinc/40/29/05/607402905.db2.gz SKTYDOMKENEYOJ-UHFFFAOYSA-N -1 3 393.447 3.564 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822225213 607402906 /nfs/dbraw/zinc/40/29/06/607402906.db2.gz SKTYDOMKENEYOJ-UHFFFAOYSA-N -1 3 393.447 3.564 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccsc1 ZINC000737085287 600016172 /nfs/dbraw/zinc/01/61/72/600016172.db2.gz JJKJGLWBMKUOGH-SFHVURJKSA-N -1 3 387.505 3.555 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825075816 607422238 /nfs/dbraw/zinc/42/22/38/607422238.db2.gz QUUAKQAJEDVLPR-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825075816 607422241 /nfs/dbraw/zinc/42/22/41/607422241.db2.gz QUUAKQAJEDVLPR-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1-c1nnn[n-]1 ZINC000820164342 607425603 /nfs/dbraw/zinc/42/56/03/607425603.db2.gz IEAVGKCCLHCTDS-HNNXBMFYSA-N -1 3 396.476 3.622 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000820164342 607425604 /nfs/dbraw/zinc/42/56/04/607425604.db2.gz IEAVGKCCLHCTDS-HNNXBMFYSA-N -1 3 396.476 3.622 20 0 GHADHM C[C@@H](Sc1ccccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000736711851 600206041 /nfs/dbraw/zinc/20/60/41/600206041.db2.gz GFPRKZRCLZWQMM-JKSUJKDBSA-N -1 3 386.517 3.502 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1 ZINC000825693693 607429900 /nfs/dbraw/zinc/42/99/00/607429900.db2.gz AFOJVZUDTOETIT-UHFFFAOYSA-N -1 3 397.382 3.570 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1 ZINC000825693693 607429901 /nfs/dbraw/zinc/42/99/01/607429901.db2.gz AFOJVZUDTOETIT-UHFFFAOYSA-N -1 3 397.382 3.570 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826316393 607432544 /nfs/dbraw/zinc/43/25/44/607432544.db2.gz MSAWEKAHFRHSLT-VXGBXAGGSA-N -1 3 393.394 3.998 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826316393 607432547 /nfs/dbraw/zinc/43/25/47/607432547.db2.gz MSAWEKAHFRHSLT-VXGBXAGGSA-N -1 3 393.394 3.998 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736724481 600282495 /nfs/dbraw/zinc/28/24/95/600282495.db2.gz MBLGNAGOADPDSA-DYVFJYSZSA-N -1 3 387.867 3.995 20 0 GHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737371082 600287091 /nfs/dbraw/zinc/28/70/91/600287091.db2.gz XQWHUGMXHQEHJN-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM CC[C@](NCc1cc(=O)oc2cc3c(cc12)CCC3)(C(=O)[O-])c1ccccc1 ZINC000736918649 600306363 /nfs/dbraw/zinc/30/63/63/600306363.db2.gz VPOROFHYKCVRRE-HSZRJFAPSA-N -1 3 377.440 3.761 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000736633086 600309180 /nfs/dbraw/zinc/30/91/80/600309180.db2.gz KFQKTOPXZVNXCK-FTRWYGJKSA-N -1 3 380.488 3.592 20 0 GHADHM Cc1conc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822145741 607441616 /nfs/dbraw/zinc/44/16/16/607441616.db2.gz SWLQZHYEWDEQPA-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000739514589 600409625 /nfs/dbraw/zinc/40/96/25/600409625.db2.gz DVFOEYKQKKKHDM-OAHLLOKOSA-N -1 3 398.688 3.762 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824458253 607442975 /nfs/dbraw/zinc/44/29/75/607442975.db2.gz URDFDSHWJMCCHY-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824458253 607442977 /nfs/dbraw/zinc/44/29/77/607442977.db2.gz URDFDSHWJMCCHY-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM Cc1ccsc1CCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826316512 607444705 /nfs/dbraw/zinc/44/47/05/607444705.db2.gz QURWCRJRPRZINR-UHFFFAOYSA-N -1 3 375.885 3.876 20 0 GHADHM Cc1ccsc1CCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826316512 607444707 /nfs/dbraw/zinc/44/47/07/607444707.db2.gz QURWCRJRPRZINR-UHFFFAOYSA-N -1 3 375.885 3.876 20 0 GHADHM C[C@@H](CN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736576870 600545861 /nfs/dbraw/zinc/54/58/61/600545861.db2.gz OECZUTPVPWTITJ-KSFYIVLOSA-N -1 3 398.478 3.559 20 0 GHADHM CC1(C)C[C@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000824789345 607459602 /nfs/dbraw/zinc/45/96/02/607459602.db2.gz HANXSXSKBFOVKS-SFHVURJKSA-N -1 3 388.475 3.578 20 0 GHADHM CC1(C)C[C@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000824789345 607459605 /nfs/dbraw/zinc/45/96/05/607459605.db2.gz HANXSXSKBFOVKS-SFHVURJKSA-N -1 3 388.475 3.578 20 0 GHADHM Fc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000826374639 607471572 /nfs/dbraw/zinc/47/15/72/607471572.db2.gz HCAIVIXNVHKBOE-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000826374639 607471574 /nfs/dbraw/zinc/47/15/74/607471574.db2.gz HCAIVIXNVHKBOE-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000737368878 600853288 /nfs/dbraw/zinc/85/32/88/600853288.db2.gz WIBUBLBFILXXIT-CQSZACIVSA-N -1 3 378.428 3.713 20 0 GHADHM Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000832946206 601144320 /nfs/dbraw/zinc/14/43/20/601144320.db2.gz RHXOHQWBGLQUML-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 ZINC000826054715 601201397 /nfs/dbraw/zinc/20/13/97/601201397.db2.gz PNDXUFOKPCCTIO-FPTDNZKUSA-N -1 3 377.440 3.833 20 0 GHADHM CCN(C(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1nc2ccccc2s1 ZINC000829596989 601204307 /nfs/dbraw/zinc/20/43/07/601204307.db2.gz GWJBMHYVWVWBNF-AUUYWEPGSA-N -1 3 397.500 3.701 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000826054759 601205109 /nfs/dbraw/zinc/20/51/09/601205109.db2.gz QKQXEAULYUOTRN-PXAZEXFGSA-N -1 3 380.366 3.696 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)ccc2n1 ZINC000822280275 607499392 /nfs/dbraw/zinc/49/93/92/607499392.db2.gz JLLVKUBSFJNBHX-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)ccc2n1 ZINC000822280275 607499394 /nfs/dbraw/zinc/49/93/94/607499394.db2.gz JLLVKUBSFJNBHX-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM CC1(OCC(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000820629387 607505627 /nfs/dbraw/zinc/50/56/27/607505627.db2.gz XKHQKMPZURFBQZ-UHFFFAOYSA-N -1 3 378.432 3.536 20 0 GHADHM CC1(OCC(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000820629387 607505628 /nfs/dbraw/zinc/50/56/28/607505628.db2.gz XKHQKMPZURFBQZ-UHFFFAOYSA-N -1 3 378.432 3.536 20 0 GHADHM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(N2CCCC2)c1 ZINC000827727671 601500116 /nfs/dbraw/zinc/50/01/16/601500116.db2.gz KYPIXJCZJMESRX-RDTXWAMCSA-N -1 3 399.516 3.503 20 0 GHADHM COc1ccc(CN(C)[C@H](C)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826192682 607517141 /nfs/dbraw/zinc/51/71/41/607517141.db2.gz WTRUIFIAWZEJSR-GFCCVEGCSA-N -1 3 380.477 3.678 20 0 GHADHM COc1ccc(CN(C)[C@H](C)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826192682 607517142 /nfs/dbraw/zinc/51/71/42/607517142.db2.gz WTRUIFIAWZEJSR-GFCCVEGCSA-N -1 3 380.477 3.678 20 0 GHADHM C[C@H](CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000824400628 607536937 /nfs/dbraw/zinc/53/69/37/607536937.db2.gz JMULMFNBBRQTHQ-GFCCVEGCSA-N -1 3 387.390 3.991 20 0 GHADHM C[C@H](CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000824400628 607536939 /nfs/dbraw/zinc/53/69/39/607536939.db2.gz JMULMFNBBRQTHQ-GFCCVEGCSA-N -1 3 387.390 3.991 20 0 GHADHM Cc1nc(C)n(C[C@@H]2CCCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n1 ZINC000832995762 602040725 /nfs/dbraw/zinc/04/07/25/602040725.db2.gz JIDWNVLAOAFHGN-DYVFJYSZSA-N -1 3 397.306 3.740 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177120 602041743 /nfs/dbraw/zinc/04/17/43/602041743.db2.gz NKBPIMAGDUEBTD-OXQOHEQNSA-N -1 3 396.491 3.581 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177147 602043331 /nfs/dbraw/zinc/04/33/31/602043331.db2.gz OHOSBTMMACLHEF-OXJNMPFZSA-N -1 3 395.503 3.833 20 0 GHADHM COc1ccc(CNc2cccc(C(=O)c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000826203858 607550774 /nfs/dbraw/zinc/55/07/74/607550774.db2.gz JIRVNZBSWPFGAH-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1ccc(CNc2cccc(C(=O)c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000826203858 607550776 /nfs/dbraw/zinc/55/07/76/607550776.db2.gz JIRVNZBSWPFGAH-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM Clc1cccc([C@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)c1 ZINC000826353124 607549613 /nfs/dbraw/zinc/54/96/13/607549613.db2.gz CAWBLQOXOPNFGM-LJQANCHMSA-N -1 3 376.851 3.794 20 0 GHADHM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830499677 602390633 /nfs/dbraw/zinc/39/06/33/602390633.db2.gz AAQMTLHKHQATCY-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM COC1CCN(C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000739805009 602574973 /nfs/dbraw/zinc/57/49/73/602574973.db2.gz JQFRFROESOWMSC-UHFFFAOYSA-N -1 3 399.491 3.549 20 0 GHADHM O=C([O-])N1CCC[C@@H]1CNCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000740470531 602594278 /nfs/dbraw/zinc/59/42/78/602594278.db2.gz PZGONUHJVACMCX-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739059410 603033881 /nfs/dbraw/zinc/03/38/81/603033881.db2.gz OVLGSKLAVGXDIH-BBRMVZONSA-N -1 3 386.427 3.873 20 0 GHADHM COc1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826200492 607615742 /nfs/dbraw/zinc/61/57/42/607615742.db2.gz SJFWQHPMASSZBL-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826200492 607615743 /nfs/dbraw/zinc/61/57/43/607615743.db2.gz SJFWQHPMASSZBL-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM CC[C@H](CNC(=O)c1ccc(C)c(NC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000826587101 603311532 /nfs/dbraw/zinc/31/15/32/603311532.db2.gz NPYXKPGDVMXEQI-LJQANCHMSA-N -1 3 381.476 3.652 20 0 GHADHM CCN(Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1)C(=O)[O-] ZINC000739442397 603346136 /nfs/dbraw/zinc/34/61/36/603346136.db2.gz KVDDCHCHBMAHDE-LJQANCHMSA-N -1 3 384.480 3.611 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCc1sccc1C ZINC000825318370 607659195 /nfs/dbraw/zinc/65/91/95/607659195.db2.gz MMUZXTXVGHMXBY-UHFFFAOYSA-N -1 3 383.521 3.998 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCc1sccc1C ZINC000825318370 607659197 /nfs/dbraw/zinc/65/91/97/607659197.db2.gz MMUZXTXVGHMXBY-UHFFFAOYSA-N -1 3 383.521 3.998 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000826250286 607668807 /nfs/dbraw/zinc/66/88/07/607668807.db2.gz TYLUEJBGTDVKHH-UHFFFAOYSA-N -1 3 399.458 3.627 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000826250286 607668810 /nfs/dbraw/zinc/66/88/10/607668810.db2.gz TYLUEJBGTDVKHH-UHFFFAOYSA-N -1 3 399.458 3.627 20 0 GHADHM Cc1cscc1NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826320869 607673975 /nfs/dbraw/zinc/67/39/75/607673975.db2.gz IHLNYVOCTGIFCS-UHFFFAOYSA-N -1 3 397.489 3.928 20 0 GHADHM Cc1cscc1NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826320869 607673977 /nfs/dbraw/zinc/67/39/77/607673977.db2.gz IHLNYVOCTGIFCS-UHFFFAOYSA-N -1 3 397.489 3.928 20 0 GHADHM Cc1nc(C)c(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)n2)s1 ZINC000826324537 607687304 /nfs/dbraw/zinc/68/73/04/607687304.db2.gz WAPGHTWGQUPEGE-UHFFFAOYSA-N -1 3 397.489 3.624 20 0 GHADHM Cc1nc(C)c(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)s1 ZINC000826324537 607687305 /nfs/dbraw/zinc/68/73/05/607687305.db2.gz WAPGHTWGQUPEGE-UHFFFAOYSA-N -1 3 397.489 3.624 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000826246141 607692289 /nfs/dbraw/zinc/69/22/89/607692289.db2.gz SXFSJSCRFZCNDD-KRWDZBQOSA-N -1 3 399.907 3.759 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000826246141 607692290 /nfs/dbraw/zinc/69/22/90/607692290.db2.gz SXFSJSCRFZCNDD-KRWDZBQOSA-N -1 3 399.907 3.759 20 0 GHADHM C[C@@](NCc1csc(-c2ccc(Br)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741282 604436765 /nfs/dbraw/zinc/43/67/65/604436765.db2.gz KNZCUESHEOYWQW-INIZCTEOSA-N -1 3 381.295 3.916 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000518201234 604457204 /nfs/dbraw/zinc/45/72/04/604457204.db2.gz VBVPFHSWZAHGQN-NRFANRHFSA-N -1 3 397.471 3.733 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2cccc(Br)c2)c1 ZINC000832041749 604461469 /nfs/dbraw/zinc/46/14/69/604461469.db2.gz ZYBWNTUUGGMMHO-QGZVFWFLSA-N -1 3 394.265 3.724 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826283666 607693760 /nfs/dbraw/zinc/69/37/60/607693760.db2.gz XCXYRLRGISOAIV-MRXNPFEDSA-N -1 3 393.491 3.945 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826283666 607693762 /nfs/dbraw/zinc/69/37/62/607693762.db2.gz XCXYRLRGISOAIV-MRXNPFEDSA-N -1 3 393.491 3.945 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Nc3cc(C(=O)[O-])cs3)c(C)c2)CC1 ZINC000829780146 604497525 /nfs/dbraw/zinc/49/75/25/604497525.db2.gz COKCJTOXCHOFSL-UHFFFAOYSA-N -1 3 388.493 3.541 20 0 GHADHM CC(C)(C)CCN1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833429752 604599212 /nfs/dbraw/zinc/59/92/12/604599212.db2.gz WEQLSRHDMMFPSL-UHFFFAOYSA-N -1 3 393.553 3.839 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000826244968 607709701 /nfs/dbraw/zinc/70/97/01/607709701.db2.gz JHFZWHURXUKYGM-GOSISDBHSA-N -1 3 383.402 3.821 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000826244968 607709704 /nfs/dbraw/zinc/70/97/04/607709704.db2.gz JHFZWHURXUKYGM-GOSISDBHSA-N -1 3 383.402 3.821 20 0 GHADHM CC[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000825081492 607714566 /nfs/dbraw/zinc/71/45/66/607714566.db2.gz KBTSVSHUFBVTNA-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000825081492 607714568 /nfs/dbraw/zinc/71/45/68/607714568.db2.gz KBTSVSHUFBVTNA-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824391393 607723095 /nfs/dbraw/zinc/72/30/95/607723095.db2.gz HWMSXIXUTHJVMJ-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824391393 607723097 /nfs/dbraw/zinc/72/30/97/607723097.db2.gz HWMSXIXUTHJVMJ-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000833420995 604937550 /nfs/dbraw/zinc/93/75/50/604937550.db2.gz FXMAXZPWAUQPLK-GFCCVEGCSA-N -1 3 386.464 3.763 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826464478 607725929 /nfs/dbraw/zinc/72/59/29/607725929.db2.gz XVTYWPOXMHIMFH-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826464478 607725931 /nfs/dbraw/zinc/72/59/31/607725931.db2.gz XVTYWPOXMHIMFH-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000833414040 605178032 /nfs/dbraw/zinc/17/80/32/605178032.db2.gz PRDXKKVTBSQYDD-LEWJYISDSA-N -1 3 380.488 3.696 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1)C(=O)[O-] ZINC000833543677 605491599 /nfs/dbraw/zinc/49/15/99/605491599.db2.gz UQGXWBHZQWWSNC-HNNXBMFYSA-N -1 3 387.501 3.664 20 0 GHADHM O=C([O-])N1CCc2cccc(CN3CCC([C@@H](O)c4ccc(F)cc4)CC3)c21 ZINC000834123972 605594358 /nfs/dbraw/zinc/59/43/58/605594358.db2.gz YUGUDIUCLLRVTD-NRFANRHFSA-N -1 3 384.451 3.812 20 0 GHADHM O=C([O-])Nc1cccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000834267807 605603338 /nfs/dbraw/zinc/60/33/38/605603338.db2.gz BQYXENMMCBSYNW-UHFFFAOYSA-N -1 3 386.427 3.702 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)ccc1F ZINC000826260767 607770599 /nfs/dbraw/zinc/77/05/99/607770599.db2.gz DCENDSWYDUYUDP-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)ccc1F ZINC000826260767 607770600 /nfs/dbraw/zinc/77/06/00/607770600.db2.gz DCENDSWYDUYUDP-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@@H](Oc1ccc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1)C(=O)[O-] ZINC000833539959 605728376 /nfs/dbraw/zinc/72/83/76/605728376.db2.gz ICRQPURPUOHJOY-MRXNPFEDSA-N -1 3 395.455 3.599 20 0 GHADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCCCC3=O)cc2)c2ccccc21 ZINC000834156879 605794453 /nfs/dbraw/zinc/79/44/53/605794453.db2.gz FLJBDBYQVKVJPF-PMACEKPBSA-N -1 3 379.460 3.747 20 0 GHADHM CC[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820987744 606030250 /nfs/dbraw/zinc/03/02/50/606030250.db2.gz BEPWJOGJPAKVNV-RXVVDRJESA-N -1 3 389.503 3.842 20 0 GHADHM CC[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820987744 606030254 /nfs/dbraw/zinc/03/02/54/606030254.db2.gz BEPWJOGJPAKVNV-RXVVDRJESA-N -1 3 389.503 3.842 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821431331 606033240 /nfs/dbraw/zinc/03/32/40/606033240.db2.gz PYHSJYIYZLTSIE-GOSISDBHSA-N -1 3 379.464 3.783 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821431331 606033246 /nfs/dbraw/zinc/03/32/46/606033246.db2.gz PYHSJYIYZLTSIE-GOSISDBHSA-N -1 3 379.464 3.783 20 0 GHADHM c1ccc2nc(N3CCC(OC4CCCCC4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802360 606066176 /nfs/dbraw/zinc/06/61/76/606066176.db2.gz KTYBYJJEGARBFN-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM c1ccc2nc(N3CCC(OC4CCCCC4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802360 606066179 /nfs/dbraw/zinc/06/61/79/606066179.db2.gz KTYBYJJEGARBFN-UHFFFAOYSA-N -1 3 378.480 3.733 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822303442 606076129 /nfs/dbraw/zinc/07/61/29/606076129.db2.gz AFNPYYUDMPAFMO-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822303442 606076133 /nfs/dbraw/zinc/07/61/33/606076133.db2.gz AFNPYYUDMPAFMO-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM COc1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821717644 606093306 /nfs/dbraw/zinc/09/33/06/606093306.db2.gz RYFADFXMKYLFJR-UHFFFAOYSA-N -1 3 383.415 3.584 20 0 GHADHM COc1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821717644 606093310 /nfs/dbraw/zinc/09/33/10/606093310.db2.gz RYFADFXMKYLFJR-UHFFFAOYSA-N -1 3 383.415 3.584 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000822229076 606107909 /nfs/dbraw/zinc/10/79/09/606107909.db2.gz LRLAISXASGSNPB-AWEZNQCLSA-N -1 3 398.536 3.793 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000822229076 606107910 /nfs/dbraw/zinc/10/79/10/606107910.db2.gz LRLAISXASGSNPB-AWEZNQCLSA-N -1 3 398.536 3.793 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340707 606116952 /nfs/dbraw/zinc/11/69/52/606116952.db2.gz MYJQBRNYAGOLPS-FCEWJHQRSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340707 606116955 /nfs/dbraw/zinc/11/69/55/606116955.db2.gz MYJQBRNYAGOLPS-FCEWJHQRSA-N -1 3 390.491 3.590 20 0 GHADHM CCN(C(=O)c1ccc(F)c(F)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160030 606127072 /nfs/dbraw/zinc/12/70/72/606127072.db2.gz GAQHORAXAWNKME-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1ccc(F)c(F)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160030 606127074 /nfs/dbraw/zinc/12/70/74/606127074.db2.gz GAQHORAXAWNKME-JTQLQIEISA-N -1 3 375.354 3.507 20 0 GHADHM CC1(C)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000820601067 606151410 /nfs/dbraw/zinc/15/14/10/606151410.db2.gz BBEIDGSTYVRSFY-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CC1(C)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000820601067 606151411 /nfs/dbraw/zinc/15/14/11/606151411.db2.gz BBEIDGSTYVRSFY-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CSc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000821984812 606162239 /nfs/dbraw/zinc/16/22/39/606162239.db2.gz UHZPODOHUVDXBV-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CSc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000821984812 606162241 /nfs/dbraw/zinc/16/22/41/606162241.db2.gz UHZPODOHUVDXBV-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)[C@@H](C)c1ccccc1 ZINC000820340955 606162850 /nfs/dbraw/zinc/16/28/50/606162850.db2.gz OAGCTKCWWUCJDY-HZPDHXFCSA-N -1 3 390.491 3.733 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)[C@@H](C)c1ccccc1 ZINC000820340955 606162852 /nfs/dbraw/zinc/16/28/52/606162852.db2.gz OAGCTKCWWUCJDY-HZPDHXFCSA-N -1 3 390.491 3.733 20 0 GHADHM Cc1ncoc1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822482522 606175433 /nfs/dbraw/zinc/17/54/33/606175433.db2.gz UHZCWTFPAHKENL-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1ncoc1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822482522 606175436 /nfs/dbraw/zinc/17/54/36/606175436.db2.gz UHZCWTFPAHKENL-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM COc1ccccc1C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000821889449 606191904 /nfs/dbraw/zinc/19/19/04/606191904.db2.gz BGBKQVAIIVVRHB-QGZVFWFLSA-N -1 3 394.479 3.573 20 0 GHADHM COc1ccccc1C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000821889449 606191906 /nfs/dbraw/zinc/19/19/06/606191906.db2.gz BGBKQVAIIVVRHB-QGZVFWFLSA-N -1 3 394.479 3.573 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822361864 606195812 /nfs/dbraw/zinc/19/58/12/606195812.db2.gz JMEBFXIJLBDQED-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822361864 606195813 /nfs/dbraw/zinc/19/58/13/606195813.db2.gz JMEBFXIJLBDQED-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974556 606263719 /nfs/dbraw/zinc/26/37/19/606263719.db2.gz RLAUYUSBYDUOMU-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974556 606263721 /nfs/dbraw/zinc/26/37/21/606263721.db2.gz RLAUYUSBYDUOMU-UHFFFAOYSA-N -1 3 376.395 3.572 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974336 606270290 /nfs/dbraw/zinc/27/02/90/606270290.db2.gz HTLRCEFUYRGZCO-UHFFFAOYSA-N -1 3 377.379 3.567 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974336 606270292 /nfs/dbraw/zinc/27/02/92/606270292.db2.gz HTLRCEFUYRGZCO-UHFFFAOYSA-N -1 3 377.379 3.567 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c2c1 ZINC000822280033 606272721 /nfs/dbraw/zinc/27/27/21/606272721.db2.gz IASUZRXZUJPCSQ-UHFFFAOYSA-N -1 3 388.406 3.992 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c2c1 ZINC000822280033 606272722 /nfs/dbraw/zinc/27/27/22/606272722.db2.gz IASUZRXZUJPCSQ-UHFFFAOYSA-N -1 3 388.406 3.992 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000821123199 606282171 /nfs/dbraw/zinc/28/21/71/606282171.db2.gz MKQFGJYSAPTKCA-UHFFFAOYSA-N -1 3 392.250 3.643 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000821119352 606283155 /nfs/dbraw/zinc/28/31/55/606283155.db2.gz XTNUXVBOMXMPII-UKRRQHHQSA-N -1 3 398.417 3.709 20 0 GHADHM Cc1cc(Cl)ccc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822201935 606307914 /nfs/dbraw/zinc/30/79/14/606307914.db2.gz CIBBDXFCKOKOKD-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cc(Cl)ccc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822201935 606307916 /nfs/dbraw/zinc/30/79/16/606307916.db2.gz CIBBDXFCKOKOKD-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820461648 606316015 /nfs/dbraw/zinc/31/60/15/606316015.db2.gz OPDWXNUCGZFWRW-LBPRGKRZSA-N -1 3 396.882 3.838 20 0 GHADHM C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820461648 606316016 /nfs/dbraw/zinc/31/60/16/606316016.db2.gz OPDWXNUCGZFWRW-LBPRGKRZSA-N -1 3 396.882 3.838 20 0 GHADHM CC(C)CN(C(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081612 606318033 /nfs/dbraw/zinc/31/80/33/606318033.db2.gz NEQJNHFENCOERI-UHFFFAOYSA-N -1 3 393.422 3.984 20 0 GHADHM CC(C)CN(C(=O)Cc1coc2cc(F)ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081612 606318034 /nfs/dbraw/zinc/31/80/34/606318034.db2.gz NEQJNHFENCOERI-UHFFFAOYSA-N -1 3 393.422 3.984 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821828163 606327432 /nfs/dbraw/zinc/32/74/32/606327432.db2.gz RKNAHNTYMGUGHU-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821828163 606327434 /nfs/dbraw/zinc/32/74/34/606327434.db2.gz RKNAHNTYMGUGHU-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821845627 606339834 /nfs/dbraw/zinc/33/98/34/606339834.db2.gz ISSVJCZBVYHPTE-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821845627 606339836 /nfs/dbraw/zinc/33/98/36/606339836.db2.gz ISSVJCZBVYHPTE-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820643763 606342542 /nfs/dbraw/zinc/34/25/42/606342542.db2.gz YXWZTPBIWPVVJX-SWLSCSKDSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820643763 606342544 /nfs/dbraw/zinc/34/25/44/606342544.db2.gz YXWZTPBIWPVVJX-SWLSCSKDSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820665213 606357001 /nfs/dbraw/zinc/35/70/01/606357001.db2.gz FBLUGKFVDGGTSC-YPMHNXCESA-N -1 3 384.390 3.555 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820665213 606357002 /nfs/dbraw/zinc/35/70/02/606357002.db2.gz FBLUGKFVDGGTSC-YPMHNXCESA-N -1 3 384.390 3.555 20 0 GHADHM CN(C(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000821573561 606372529 /nfs/dbraw/zinc/37/25/29/606372529.db2.gz VPUVKHITGHGQNA-UHFFFAOYSA-N -1 3 397.744 3.537 20 0 GHADHM CN(C(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000821573561 606372531 /nfs/dbraw/zinc/37/25/31/606372531.db2.gz VPUVKHITGHGQNA-UHFFFAOYSA-N -1 3 397.744 3.537 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820869242 606382286 /nfs/dbraw/zinc/38/22/86/606382286.db2.gz FJBCSBSNDOZUED-AWEZNQCLSA-N -1 3 395.467 3.954 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820869242 606382287 /nfs/dbraw/zinc/38/22/87/606382287.db2.gz FJBCSBSNDOZUED-AWEZNQCLSA-N -1 3 395.467 3.954 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379348 606382410 /nfs/dbraw/zinc/38/24/10/606382410.db2.gz BDMGMYYCICFOFN-LBPRGKRZSA-N -1 3 396.426 3.820 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379348 606382411 /nfs/dbraw/zinc/38/24/11/606382411.db2.gz BDMGMYYCICFOFN-LBPRGKRZSA-N -1 3 396.426 3.820 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820340649 606392694 /nfs/dbraw/zinc/39/26/94/606392694.db2.gz MPOWLYJCONVUIB-OAHLLOKOSA-N -1 3 388.475 3.969 20 0 GHADHM C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820340649 606392696 /nfs/dbraw/zinc/39/26/96/606392696.db2.gz MPOWLYJCONVUIB-OAHLLOKOSA-N -1 3 388.475 3.969 20 0 GHADHM CN(C(=O)CSc1ccccc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571038 606412561 /nfs/dbraw/zinc/41/25/61/606412561.db2.gz WWJLUNQRYHBMRM-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)CSc1ccccc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571038 606412563 /nfs/dbraw/zinc/41/25/63/606412563.db2.gz WWJLUNQRYHBMRM-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM c1cc2c(s1)CCN(c1ccc(Nc3ncccc3-c3nnn[n-]3)cc1)C2 ZINC000823808512 606431641 /nfs/dbraw/zinc/43/16/41/606431641.db2.gz BAUUFMBDWOANST-UHFFFAOYSA-N -1 3 375.461 3.630 20 0 GHADHM c1cc2c(s1)CCN(c1ccc(Nc3ncccc3-c3nn[n-]n3)cc1)C2 ZINC000823808512 606431643 /nfs/dbraw/zinc/43/16/43/606431643.db2.gz BAUUFMBDWOANST-UHFFFAOYSA-N -1 3 375.461 3.630 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350262 606439678 /nfs/dbraw/zinc/43/96/78/606439678.db2.gz KBEOXLLHQVFAGY-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350262 606439679 /nfs/dbraw/zinc/43/96/79/606439679.db2.gz KBEOXLLHQVFAGY-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM c1ccc(-c2ccc(CNc3ccc4c(c3)OCCO4)cc2)c(-c2nnn[n-]2)c1 ZINC000823767702 606443906 /nfs/dbraw/zinc/44/39/06/606443906.db2.gz VWNWJMBWNXEVST-UHFFFAOYSA-N -1 3 385.427 3.917 20 0 GHADHM c1ccc(-c2ccc(CNc3ccc4c(c3)OCCO4)cc2)c(-c2nn[n-]n2)c1 ZINC000823767702 606443907 /nfs/dbraw/zinc/44/39/07/606443907.db2.gz VWNWJMBWNXEVST-UHFFFAOYSA-N -1 3 385.427 3.917 20 0 GHADHM Cc1cccc(OCCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000822326848 606446931 /nfs/dbraw/zinc/44/69/31/606446931.db2.gz BMJWKWMIEGTOAO-UHFFFAOYSA-N -1 3 388.431 3.853 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822169144 606450847 /nfs/dbraw/zinc/45/08/47/606450847.db2.gz YQXKFRTZZNSKJQ-OAHLLOKOSA-N -1 3 390.491 3.659 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822169144 606450849 /nfs/dbraw/zinc/45/08/49/606450849.db2.gz YQXKFRTZZNSKJQ-OAHLLOKOSA-N -1 3 390.491 3.659 20 0 GHADHM O=C(Nc1ccccc1NCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000823372615 606456152 /nfs/dbraw/zinc/45/61/52/606456152.db2.gz HQXAGCIYLHPJPV-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM O=C(Nc1ccccc1NCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823372615 606456154 /nfs/dbraw/zinc/45/61/54/606456154.db2.gz HQXAGCIYLHPJPV-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1OCC1CCOCC1 ZINC000822254764 606462699 /nfs/dbraw/zinc/46/26/99/606462699.db2.gz QQCOBZKZJBEJLE-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1OCC1CCOCC1 ZINC000822254764 606462701 /nfs/dbraw/zinc/46/27/01/606462701.db2.gz QQCOBZKZJBEJLE-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000820507038 606465814 /nfs/dbraw/zinc/46/58/14/606465814.db2.gz FSCMJFSFIGWACA-MRVPVSSYSA-N -1 3 384.339 3.745 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000820507038 606465815 /nfs/dbraw/zinc/46/58/15/606465815.db2.gz FSCMJFSFIGWACA-MRVPVSSYSA-N -1 3 384.339 3.745 20 0 GHADHM c1sc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1-c1nnn[n-]1 ZINC000823757586 606471322 /nfs/dbraw/zinc/47/13/22/606471322.db2.gz RTKVMTULPNFGJA-UHFFFAOYSA-N -1 3 379.449 3.636 20 0 GHADHM c1sc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1-c1nn[n-]n1 ZINC000823757586 606471324 /nfs/dbraw/zinc/47/13/24/606471324.db2.gz RTKVMTULPNFGJA-UHFFFAOYSA-N -1 3 379.449 3.636 20 0 GHADHM CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000175884573 606489984 /nfs/dbraw/zinc/48/99/84/606489984.db2.gz GONNRWJOYMKDAC-MRXNPFEDSA-N -1 3 389.381 3.696 20 0 GHADHM CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000175884573 606489986 /nfs/dbraw/zinc/48/99/86/606489986.db2.gz GONNRWJOYMKDAC-MRXNPFEDSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820570037 606492147 /nfs/dbraw/zinc/49/21/47/606492147.db2.gz BYPLRZXPOMCIOB-SECBINFHSA-N -1 3 392.282 3.524 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820570037 606492149 /nfs/dbraw/zinc/49/21/49/606492149.db2.gz BYPLRZXPOMCIOB-SECBINFHSA-N -1 3 392.282 3.524 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000823466658 606492415 /nfs/dbraw/zinc/49/24/15/606492415.db2.gz NRFRUYZXFLFGTH-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000823466658 606492416 /nfs/dbraw/zinc/49/24/16/606492416.db2.gz NRFRUYZXFLFGTH-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823364052 606493841 /nfs/dbraw/zinc/49/38/41/606493841.db2.gz XEPJULBRQHAURE-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823364052 606493842 /nfs/dbraw/zinc/49/38/42/606493842.db2.gz XEPJULBRQHAURE-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)cc1C ZINC000822267496 606494803 /nfs/dbraw/zinc/49/48/03/606494803.db2.gz WZLNSMIHAJYNLT-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)cc1C ZINC000822267496 606494805 /nfs/dbraw/zinc/49/48/05/606494805.db2.gz WZLNSMIHAJYNLT-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)cc1 ZINC000822266778 606494957 /nfs/dbraw/zinc/49/49/57/606494957.db2.gz ICLGFDKIWMMORX-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)cc1 ZINC000822266778 606494959 /nfs/dbraw/zinc/49/49/59/606494959.db2.gz ICLGFDKIWMMORX-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM COc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)c1 ZINC000821877125 606495677 /nfs/dbraw/zinc/49/56/77/606495677.db2.gz BZVPUDLSGJMRJN-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)c1 ZINC000821877125 606495678 /nfs/dbraw/zinc/49/56/78/606495678.db2.gz BZVPUDLSGJMRJN-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000823093019 606502329 /nfs/dbraw/zinc/50/23/29/606502329.db2.gz RPWBCSNPFOJRCV-JOCHJYFZSA-N -1 3 395.466 3.584 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000823093019 606502330 /nfs/dbraw/zinc/50/23/30/606502330.db2.gz RPWBCSNPFOJRCV-JOCHJYFZSA-N -1 3 395.466 3.584 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccco1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822205693 606507249 /nfs/dbraw/zinc/50/72/49/606507249.db2.gz FJLZYXPZDRTDFR-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccco1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822205693 606507251 /nfs/dbraw/zinc/50/72/51/606507251.db2.gz FJLZYXPZDRTDFR-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323457 606508097 /nfs/dbraw/zinc/50/80/97/606508097.db2.gz OKIKTVYMKGKFSS-UHFFFAOYSA-N -1 3 389.309 3.835 20 0 GHADHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823323457 606508099 /nfs/dbraw/zinc/50/80/99/606508099.db2.gz OKIKTVYMKGKFSS-UHFFFAOYSA-N -1 3 389.309 3.835 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000823140131 606516659 /nfs/dbraw/zinc/51/66/59/606516659.db2.gz PCKQRHXNDSRGBA-QGZVFWFLSA-N -1 3 393.447 3.781 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000823140131 606516661 /nfs/dbraw/zinc/51/66/61/606516661.db2.gz PCKQRHXNDSRGBA-QGZVFWFLSA-N -1 3 393.447 3.781 20 0 GHADHM O=C(Nc1nc2ccccc2n1C1CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823380377 606516678 /nfs/dbraw/zinc/51/66/78/606516678.db2.gz WPZSVODCEVKBRQ-UHFFFAOYSA-N -1 3 379.449 3.645 20 0 GHADHM O=C(Nc1nc2ccccc2n1C1CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823380377 606516680 /nfs/dbraw/zinc/51/66/80/606516680.db2.gz WPZSVODCEVKBRQ-UHFFFAOYSA-N -1 3 379.449 3.645 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000822928501 606537398 /nfs/dbraw/zinc/53/73/98/606537398.db2.gz IQMGJLRBTRDJNR-YFPIXMDGSA-N -1 3 377.423 3.773 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000822928501 606537400 /nfs/dbraw/zinc/53/74/00/606537400.db2.gz IQMGJLRBTRDJNR-YFPIXMDGSA-N -1 3 377.423 3.773 20 0 GHADHM CSc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821990819 606559555 /nfs/dbraw/zinc/55/95/55/606559555.db2.gz WSTCWPLHKFRVFI-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM CSc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821990819 606559556 /nfs/dbraw/zinc/55/95/56/606559556.db2.gz WSTCWPLHKFRVFI-UHFFFAOYSA-N -1 3 398.416 3.609 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819975777 606562250 /nfs/dbraw/zinc/56/22/50/606562250.db2.gz CJHYMRSAUMMGJX-UHFFFAOYSA-N -1 3 377.492 3.575 20 0 GHADHM CC(C)(CCCc1ccccc1)CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819975777 606562252 /nfs/dbraw/zinc/56/22/52/606562252.db2.gz CJHYMRSAUMMGJX-UHFFFAOYSA-N -1 3 377.492 3.575 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299507 606566908 /nfs/dbraw/zinc/56/69/08/606566908.db2.gz LETXYOHEZFWYSR-FQEVSTJZSA-N -1 3 375.476 3.862 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299507 606566910 /nfs/dbraw/zinc/56/69/10/606566910.db2.gz LETXYOHEZFWYSR-FQEVSTJZSA-N -1 3 375.476 3.862 20 0 GHADHM O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(-c2nnn[n-]2)cs1 ZINC000823413120 606567742 /nfs/dbraw/zinc/56/77/42/606567742.db2.gz ATWRICXHBGNOBQ-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(-c2nn[n-]n2)cs1 ZINC000823413120 606567743 /nfs/dbraw/zinc/56/77/43/606567743.db2.gz ATWRICXHBGNOBQ-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000822218134 606575564 /nfs/dbraw/zinc/57/55/64/606575564.db2.gz YBJVZAYRPDQJNT-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000822218134 606575565 /nfs/dbraw/zinc/57/55/65/606575565.db2.gz YBJVZAYRPDQJNT-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NCC2(C)CC2)cc1 ZINC000821703055 606576482 /nfs/dbraw/zinc/57/64/82/606576482.db2.gz MSYFVSPHDOBCDD-UHFFFAOYSA-N -1 3 394.435 3.589 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NCC2(C)CC2)cc1 ZINC000821703055 606576484 /nfs/dbraw/zinc/57/64/84/606576484.db2.gz MSYFVSPHDOBCDD-UHFFFAOYSA-N -1 3 394.435 3.589 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823344331 606580722 /nfs/dbraw/zinc/58/07/22/606580722.db2.gz VNWICRGENNBORB-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823344331 606580723 /nfs/dbraw/zinc/58/07/23/606580723.db2.gz VNWICRGENNBORB-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000821702495 606587197 /nfs/dbraw/zinc/58/71/97/606587197.db2.gz VTZUXMHIXJNRSK-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000821702495 606587198 /nfs/dbraw/zinc/58/71/98/606587198.db2.gz VTZUXMHIXJNRSK-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000822191934 606588140 /nfs/dbraw/zinc/58/81/40/606588140.db2.gz UYEFIXFAFMGAHJ-AWEZNQCLSA-N -1 3 394.454 3.749 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000822191934 606588141 /nfs/dbraw/zinc/58/81/41/606588141.db2.gz UYEFIXFAFMGAHJ-AWEZNQCLSA-N -1 3 394.454 3.749 20 0 GHADHM O=C1CCCc2ccc(NCc3ccc(-c4nnn[n-]4)cc3OC(F)F)cc21 ZINC000823530116 606597845 /nfs/dbraw/zinc/59/78/45/606597845.db2.gz DESIRHZTOZAOEP-UHFFFAOYSA-N -1 3 385.374 3.599 20 0 GHADHM O=C1CCCc2ccc(NCc3ccc(-c4nn[n-]n4)cc3OC(F)F)cc21 ZINC000823530116 606597847 /nfs/dbraw/zinc/59/78/47/606597847.db2.gz DESIRHZTOZAOEP-UHFFFAOYSA-N -1 3 385.374 3.599 20 0 GHADHM CCCCc1noc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000821083035 606598500 /nfs/dbraw/zinc/59/85/00/606598500.db2.gz RXIYGUSTAFVBFI-UHFFFAOYSA-N -1 3 396.423 3.627 20 0 GHADHM CCCCc1noc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000821083035 606598502 /nfs/dbraw/zinc/59/85/02/606598502.db2.gz RXIYGUSTAFVBFI-UHFFFAOYSA-N -1 3 396.423 3.627 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000820530239 606601866 /nfs/dbraw/zinc/60/18/66/606601866.db2.gz YPAHKKYGGMSUBR-AUUYWEPGSA-N -1 3 395.438 3.527 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822982167 606603111 /nfs/dbraw/zinc/60/31/11/606603111.db2.gz AFKSJBTYKWEYPU-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822982167 606603112 /nfs/dbraw/zinc/60/31/12/606603112.db2.gz AFKSJBTYKWEYPU-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821563884 606605659 /nfs/dbraw/zinc/60/56/59/606605659.db2.gz KJIOMZFQYHOOFT-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821563884 606605661 /nfs/dbraw/zinc/60/56/61/606605661.db2.gz KJIOMZFQYHOOFT-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820674051 606618966 /nfs/dbraw/zinc/61/89/66/606618966.db2.gz AYPZGGKHNJNCRT-PCRWRXJSSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820674051 606618967 /nfs/dbraw/zinc/61/89/67/606618967.db2.gz AYPZGGKHNJNCRT-PCRWRXJSSA-N -1 3 376.420 3.739 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456062 606626854 /nfs/dbraw/zinc/62/68/54/606626854.db2.gz MYMBGTNFUPCLKN-ZIAGYGMSSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456062 606626856 /nfs/dbraw/zinc/62/68/56/606626856.db2.gz MYMBGTNFUPCLKN-ZIAGYGMSSA-N -1 3 396.973 3.871 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)on1 ZINC000819959079 606628058 /nfs/dbraw/zinc/62/80/58/606628058.db2.gz XNDAKLUTGNXUOG-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)on1 ZINC000819959079 606628059 /nfs/dbraw/zinc/62/80/59/606628059.db2.gz XNDAKLUTGNXUOG-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCCc1csc(-c2ccccc2)n1 ZINC000822567545 606634592 /nfs/dbraw/zinc/63/45/92/606634592.db2.gz CXOPQQXRCJYTBC-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCCc1csc(-c2ccccc2)n1 ZINC000822567545 606634593 /nfs/dbraw/zinc/63/45/93/606634593.db2.gz CXOPQQXRCJYTBC-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3c(F)cccc3F)c2-c2nnn[n-]2)C1 ZINC000820728098 606664323 /nfs/dbraw/zinc/66/43/23/606664323.db2.gz SPAVPDPURUAARD-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)Cc3c(F)cccc3F)c2-c2nn[n-]n2)C1 ZINC000820728098 606664324 /nfs/dbraw/zinc/66/43/24/606664324.db2.gz SPAVPDPURUAARD-VIFPVBQESA-N -1 3 389.431 3.512 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(F)cc(C(F)(F)F)c1 ZINC000823383335 606665031 /nfs/dbraw/zinc/66/50/31/606665031.db2.gz PRYXFSMFXZYPQN-UHFFFAOYSA-N -1 3 397.357 3.827 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(F)cc(C(F)(F)F)c1 ZINC000823383335 606665032 /nfs/dbraw/zinc/66/50/32/606665032.db2.gz PRYXFSMFXZYPQN-UHFFFAOYSA-N -1 3 397.357 3.827 20 0 GHADHM Cc1sc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)nc1-c1ccccc1 ZINC000822564110 606665722 /nfs/dbraw/zinc/66/57/22/606665722.db2.gz UMZGSWKBRLZAKV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1sc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nc1-c1ccccc1 ZINC000822564110 606665723 /nfs/dbraw/zinc/66/57/23/606665723.db2.gz UMZGSWKBRLZAKV-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821417541 606666765 /nfs/dbraw/zinc/66/67/65/606666765.db2.gz OCIOJTQLFZSVHA-KRWDZBQOSA-N -1 3 399.401 3.521 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821417541 606666766 /nfs/dbraw/zinc/66/67/66/606666766.db2.gz OCIOJTQLFZSVHA-KRWDZBQOSA-N -1 3 399.401 3.521 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820882715 606667630 /nfs/dbraw/zinc/66/76/30/606667630.db2.gz YHVGDDPZJCPLBB-INIZCTEOSA-N -1 3 393.491 3.669 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820882715 606667631 /nfs/dbraw/zinc/66/76/31/606667631.db2.gz YHVGDDPZJCPLBB-INIZCTEOSA-N -1 3 393.491 3.669 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000820168866 606668301 /nfs/dbraw/zinc/66/83/01/606668301.db2.gz DAZYYAIJUNXANG-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000820168866 606668302 /nfs/dbraw/zinc/66/83/02/606668302.db2.gz DAZYYAIJUNXANG-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)o1 ZINC000820678272 606671554 /nfs/dbraw/zinc/67/15/54/606671554.db2.gz UOYALVLXKHPSCV-YGRLFVJLSA-N -1 3 399.401 3.666 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)o1 ZINC000820678272 606671555 /nfs/dbraw/zinc/67/15/55/606671555.db2.gz UOYALVLXKHPSCV-YGRLFVJLSA-N -1 3 399.401 3.666 20 0 GHADHM CC(C)CCOc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820077063 606674355 /nfs/dbraw/zinc/67/43/55/606674355.db2.gz ZMGDDJYJXDYFLK-UHFFFAOYSA-N -1 3 387.390 3.822 20 0 GHADHM CC(C)CCOc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820077063 606674356 /nfs/dbraw/zinc/67/43/56/606674356.db2.gz ZMGDDJYJXDYFLK-UHFFFAOYSA-N -1 3 387.390 3.822 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149620 606674898 /nfs/dbraw/zinc/67/48/98/606674898.db2.gz DGZLJUSPXMHBPE-WMLDXEAASA-N -1 3 383.402 3.601 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149620 606674899 /nfs/dbraw/zinc/67/48/99/606674899.db2.gz DGZLJUSPXMHBPE-WMLDXEAASA-N -1 3 383.402 3.601 20 0 GHADHM CC(C)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Cl ZINC000820112306 606676535 /nfs/dbraw/zinc/67/65/35/606676535.db2.gz QZHAZVLNZNUTEL-UHFFFAOYSA-N -1 3 395.772 3.993 20 0 GHADHM CC(C)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000820112306 606676536 /nfs/dbraw/zinc/67/65/36/606676536.db2.gz QZHAZVLNZNUTEL-UHFFFAOYSA-N -1 3 395.772 3.993 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821023112 606682427 /nfs/dbraw/zinc/68/24/27/606682427.db2.gz WRDMHOQCODHUDB-OAHLLOKOSA-N -1 3 385.418 3.676 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821023112 606682428 /nfs/dbraw/zinc/68/24/28/606682428.db2.gz WRDMHOQCODHUDB-OAHLLOKOSA-N -1 3 385.418 3.676 20 0 GHADHM C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496656 606684889 /nfs/dbraw/zinc/68/48/89/606684889.db2.gz NNWZHBAEUZIKFM-CQSZACIVSA-N -1 3 375.432 3.595 20 0 GHADHM C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496656 606684890 /nfs/dbraw/zinc/68/48/90/606684890.db2.gz NNWZHBAEUZIKFM-CQSZACIVSA-N -1 3 375.432 3.595 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820039050 606689347 /nfs/dbraw/zinc/68/93/47/606689347.db2.gz UQEICFDOAOXLAT-KRWDZBQOSA-N -1 3 377.448 3.777 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820039050 606689348 /nfs/dbraw/zinc/68/93/48/606689348.db2.gz UQEICFDOAOXLAT-KRWDZBQOSA-N -1 3 377.448 3.777 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823331651 606692267 /nfs/dbraw/zinc/69/22/67/606692267.db2.gz GVVRMJOMDIZZRM-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Cl)c(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823331651 606692268 /nfs/dbraw/zinc/69/22/68/606692268.db2.gz GVVRMJOMDIZZRM-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM C[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000820736041 606692301 /nfs/dbraw/zinc/69/23/01/606692301.db2.gz WTEDKZPRIPWJHT-CYBMUJFWSA-N -1 3 397.529 3.627 20 0 GHADHM C[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000820736041 606692302 /nfs/dbraw/zinc/69/23/02/606692302.db2.gz WTEDKZPRIPWJHT-CYBMUJFWSA-N -1 3 397.529 3.627 20 0 GHADHM CCC1(CC)CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000820956994 606694087 /nfs/dbraw/zinc/69/40/87/606694087.db2.gz LRBXAIFVODMSGZ-UHFFFAOYSA-N -1 3 386.525 3.513 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)c1cccc(F)c1 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607027190 /nfs/dbraw/zinc/02/71/90/607027190.db2.gz TXNQKSGLFOPVRV-OCCSQVGLSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@@H]1CC[C@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820685235 607027192 /nfs/dbraw/zinc/02/71/92/607027192.db2.gz TXNQKSGLFOPVRV-OCCSQVGLSA-N -1 3 381.402 3.584 20 0 GHADHM Cc1cc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1Cl ZINC000822168510 607036895 /nfs/dbraw/zinc/03/68/95/607036895.db2.gz OZWFOYLLOHDRBH-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM CCN(CC)[C@H](C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000821175142 607052952 /nfs/dbraw/zinc/05/29/52/607052952.db2.gz FTARAKWSFMXDAM-INIZCTEOSA-N -1 3 384.509 3.567 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)(F)F ZINC000820427498 607055469 /nfs/dbraw/zinc/05/54/69/607055469.db2.gz RZKAIZVJLSGDAA-JTQLQIEISA-N -1 3 381.333 3.755 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000822741587 607056762 /nfs/dbraw/zinc/05/67/62/607056762.db2.gz ZYKYYKMTFIPOJS-AWEZNQCLSA-N -1 3 394.237 3.926 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000822741587 607056763 /nfs/dbraw/zinc/05/67/63/607056763.db2.gz ZYKYYKMTFIPOJS-AWEZNQCLSA-N -1 3 394.237 3.926 20 0 GHADHM CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821421835 607057555 /nfs/dbraw/zinc/05/75/55/607057555.db2.gz GKABEPOFXSGLCB-NSHDSACASA-N -1 3 375.835 3.909 20 0 GHADHM CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821421835 607057556 /nfs/dbraw/zinc/05/75/56/607057556.db2.gz GKABEPOFXSGLCB-NSHDSACASA-N -1 3 375.835 3.909 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821564002 607072152 /nfs/dbraw/zinc/07/21/52/607072152.db2.gz PHFMTQZIDLMTRQ-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM COc1ccccc1[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821883361 607093674 /nfs/dbraw/zinc/09/36/74/607093674.db2.gz UISYJBVLIQRSLS-GOSISDBHSA-N -1 3 392.440 3.883 20 0 GHADHM COc1ccccc1[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821883361 607093675 /nfs/dbraw/zinc/09/36/75/607093675.db2.gz UISYJBVLIQRSLS-GOSISDBHSA-N -1 3 392.440 3.883 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000821294513 607100654 /nfs/dbraw/zinc/10/06/54/607100654.db2.gz ULFCNAUVFZRJLS-NWDGAFQWSA-N -1 3 382.390 3.606 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)c1cc(C)sc1C ZINC000821293253 607101652 /nfs/dbraw/zinc/10/16/52/607101652.db2.gz IZLSLUIYJMGDKK-UHFFFAOYSA-N -1 3 398.492 3.578 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403896 607114731 /nfs/dbraw/zinc/11/47/31/607114731.db2.gz ZAVDQHVDFKYQAV-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403896 607114732 /nfs/dbraw/zinc/11/47/32/607114732.db2.gz ZAVDQHVDFKYQAV-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1-n1cccn1 ZINC000820451074 607118082 /nfs/dbraw/zinc/11/80/82/607118082.db2.gz SJRRPTSKJUKMBI-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1-n1cccn1 ZINC000820451074 607118083 /nfs/dbraw/zinc/11/80/83/607118083.db2.gz SJRRPTSKJUKMBI-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000820481689 607118393 /nfs/dbraw/zinc/11/83/93/607118393.db2.gz YJEYXZUGQWBRBJ-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000820481689 607118394 /nfs/dbraw/zinc/11/83/94/607118394.db2.gz YJEYXZUGQWBRBJ-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000823013931 607124726 /nfs/dbraw/zinc/12/47/26/607124726.db2.gz BZBDXUCQPKEYRR-UHFFFAOYSA-N -1 3 397.653 3.878 20 0 GHADHM COc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)cc1-c1nnn[n-]1 ZINC000821805831 607130066 /nfs/dbraw/zinc/13/00/66/607130066.db2.gz WMPYFMTULHLNKM-UHFFFAOYSA-N -1 3 390.274 3.961 20 0 GHADHM COc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)cc1-c1nn[n-]n1 ZINC000821805831 607130068 /nfs/dbraw/zinc/13/00/68/607130068.db2.gz WMPYFMTULHLNKM-UHFFFAOYSA-N -1 3 390.274 3.961 20 0 GHADHM Cc1ncsc1-c1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822482003 607150851 /nfs/dbraw/zinc/15/08/51/607150851.db2.gz IPPZDYHULZIOBZ-JTQLQIEISA-N -1 3 385.478 3.676 20 0 GHADHM Cc1ncsc1-c1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822482003 607150852 /nfs/dbraw/zinc/15/08/52/607150852.db2.gz IPPZDYHULZIOBZ-JTQLQIEISA-N -1 3 385.478 3.676 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1F ZINC000822284544 607150981 /nfs/dbraw/zinc/15/09/81/607150981.db2.gz UKMKXTMLYXFVKY-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1F ZINC000822284544 607150983 /nfs/dbraw/zinc/15/09/83/607150983.db2.gz UKMKXTMLYXFVKY-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)OC1CCCCCC1 ZINC000820518514 607153434 /nfs/dbraw/zinc/15/34/34/607153434.db2.gz GAPOQXWRBMXYAJ-INIZCTEOSA-N -1 3 385.512 3.732 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)OC1CCCCCC1 ZINC000820518514 607153436 /nfs/dbraw/zinc/15/34/36/607153436.db2.gz GAPOQXWRBMXYAJ-INIZCTEOSA-N -1 3 385.512 3.732 20 0 GHADHM CCc1oc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)cc1C ZINC000821558530 607154787 /nfs/dbraw/zinc/15/47/87/607154787.db2.gz ALWURJQAFONZJP-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM COc1ccc(-c2noc([C@H](C)SCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000821765556 607172437 /nfs/dbraw/zinc/17/24/37/607172437.db2.gz FYEFGEIYFNKNAX-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2noc([C@H](C)SCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000821765556 607172438 /nfs/dbraw/zinc/17/24/38/607172438.db2.gz FYEFGEIYFNKNAX-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823315017 607191372 /nfs/dbraw/zinc/19/13/72/607191372.db2.gz WLDWWVSFGADEPF-PWSUYJOCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823315017 607191373 /nfs/dbraw/zinc/19/13/73/607191373.db2.gz WLDWWVSFGADEPF-PWSUYJOCSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)sc1C ZINC000822422964 607194802 /nfs/dbraw/zinc/19/48/02/607194802.db2.gz GJPDXJKEQLZUIY-UHFFFAOYSA-N -1 3 391.888 3.650 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)sc1C ZINC000822422964 607194803 /nfs/dbraw/zinc/19/48/03/607194803.db2.gz GJPDXJKEQLZUIY-UHFFFAOYSA-N -1 3 391.888 3.650 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820375195 607196892 /nfs/dbraw/zinc/19/68/92/607196892.db2.gz ZRVOIMJHOVDMCB-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820375195 607196893 /nfs/dbraw/zinc/19/68/93/607196893.db2.gz ZRVOIMJHOVDMCB-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000823319823 607198903 /nfs/dbraw/zinc/19/89/03/607198903.db2.gz ZAUAVUURIWVDJZ-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000823319823 607198904 /nfs/dbraw/zinc/19/89/04/607198904.db2.gz ZAUAVUURIWVDJZ-CQSZACIVSA-N -1 3 389.246 3.983 20 0 GHADHM COc1ccc([C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000821778078 607200249 /nfs/dbraw/zinc/20/02/49/607200249.db2.gz TUEGISPUEYOYPM-QGZVFWFLSA-N -1 3 398.854 3.802 20 0 GHADHM COc1ccc([C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000821778078 607200250 /nfs/dbraw/zinc/20/02/50/607200250.db2.gz TUEGISPUEYOYPM-QGZVFWFLSA-N -1 3 398.854 3.802 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820821136 607204145 /nfs/dbraw/zinc/20/41/45/607204145.db2.gz RSJAALWGIFDGSL-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820821136 607204146 /nfs/dbraw/zinc/20/41/46/607204146.db2.gz RSJAALWGIFDGSL-SNVBAGLBSA-N -1 3 386.818 3.810 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CCc2ccccc2C1 ZINC000821571844 607204608 /nfs/dbraw/zinc/20/46/08/607204608.db2.gz HZBKDBKAPLYZFB-HNNXBMFYSA-N -1 3 382.855 3.541 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCc2ccccc2C1 ZINC000821571844 607204609 /nfs/dbraw/zinc/20/46/09/607204609.db2.gz HZBKDBKAPLYZFB-HNNXBMFYSA-N -1 3 382.855 3.541 20 0 GHADHM Cc1nc2ccccc2n1CCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000822462042 607227144 /nfs/dbraw/zinc/22/71/44/607227144.db2.gz CKUKJIOLUFBNDH-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM Cc1nc2ccccc2n1CCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000822462042 607227145 /nfs/dbraw/zinc/22/71/45/607227145.db2.gz CKUKJIOLUFBNDH-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccco3)c2-c2nnn[n-]2)C1 ZINC000819907753 607235405 /nfs/dbraw/zinc/23/54/05/607235405.db2.gz REKJTMICNLRRCV-NSHDSACASA-N -1 3 385.493 3.853 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccco3)c2-c2nn[n-]n2)C1 ZINC000819907753 607235406 /nfs/dbraw/zinc/23/54/06/607235406.db2.gz REKJTMICNLRRCV-NSHDSACASA-N -1 3 385.493 3.853 20 0 GHADHM CC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819833564 607239483 /nfs/dbraw/zinc/23/94/83/607239483.db2.gz HFGZNVVNYOWBRJ-UHFFFAOYSA-N -1 3 399.838 3.519 20 0 GHADHM CC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819833564 607239484 /nfs/dbraw/zinc/23/94/84/607239484.db2.gz HFGZNVVNYOWBRJ-UHFFFAOYSA-N -1 3 399.838 3.519 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)C1CCCCCC1 ZINC000821698542 607240511 /nfs/dbraw/zinc/24/05/11/607240511.db2.gz OCAJRKBAAHXXPR-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)C1CCCCCC1 ZINC000821698542 607240512 /nfs/dbraw/zinc/24/05/12/607240512.db2.gz OCAJRKBAAHXXPR-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM COc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CCCC2)c1 ZINC000821863247 607241610 /nfs/dbraw/zinc/24/16/10/607241610.db2.gz JEORVOIWERFYRL-UHFFFAOYSA-N -1 3 397.866 3.979 20 0 GHADHM COc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)CCCC2)c1 ZINC000821863247 607241611 /nfs/dbraw/zinc/24/16/11/607241611.db2.gz JEORVOIWERFYRL-UHFFFAOYSA-N -1 3 397.866 3.979 20 0 GHADHM Cc1nc(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)oc1-c1ccccc1 ZINC000822436467 607245379 /nfs/dbraw/zinc/24/53/79/607245379.db2.gz NMRNMWBVPJICCB-UHFFFAOYSA-N -1 3 393.378 3.507 20 0 GHADHM Cc1nc(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)oc1-c1ccccc1 ZINC000822436467 607245380 /nfs/dbraw/zinc/24/53/80/607245380.db2.gz NMRNMWBVPJICCB-UHFFFAOYSA-N -1 3 393.378 3.507 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820533559 607248565 /nfs/dbraw/zinc/24/85/65/607248565.db2.gz FVGHUKLNNIGNDH-QMMMGPOBSA-N -1 3 397.193 3.686 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820533559 607248566 /nfs/dbraw/zinc/24/85/66/607248566.db2.gz FVGHUKLNNIGNDH-QMMMGPOBSA-N -1 3 397.193 3.686 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822422820 607249439 /nfs/dbraw/zinc/24/94/39/607249439.db2.gz DBMJQNIWTDTFJZ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822422820 607249440 /nfs/dbraw/zinc/24/94/40/607249440.db2.gz DBMJQNIWTDTFJZ-UHFFFAOYSA-N -1 3 381.392 3.657 20 0 GHADHM O=C(Oc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)[n-]1 ZINC000826468603 607776923 /nfs/dbraw/zinc/77/69/23/607776923.db2.gz ZRIPPKKLYSENNB-UHFFFAOYSA-N -1 3 388.412 3.691 20 0 GHADHM O=C(CCc1ccc(F)cc1F)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826408435 607782671 /nfs/dbraw/zinc/78/26/71/607782671.db2.gz GBGZADGUDFUTKI-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(CCc1ccc(F)cc1F)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826408435 607782672 /nfs/dbraw/zinc/78/26/72/607782672.db2.gz GBGZADGUDFUTKI-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM Cc1nc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c(C)s1 ZINC000826323625 607785759 /nfs/dbraw/zinc/78/57/59/607785759.db2.gz LIOKRSTYUCTNEG-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1nc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c(C)s1 ZINC000826323625 607785760 /nfs/dbraw/zinc/78/57/60/607785760.db2.gz LIOKRSTYUCTNEG-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824808835 607791012 /nfs/dbraw/zinc/79/10/12/607791012.db2.gz ZNFQPMGOJMMUKH-QGZVFWFLSA-N -1 3 383.402 3.588 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824808835 607791013 /nfs/dbraw/zinc/79/10/13/607791013.db2.gz ZNFQPMGOJMMUKH-QGZVFWFLSA-N -1 3 383.402 3.588 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC3(CC(F)C3)C2)cc1 ZINC000826254768 607807265 /nfs/dbraw/zinc/80/72/65/607807265.db2.gz ABXDIAKYJINJRP-UHFFFAOYSA-N -1 3 393.422 3.542 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC3(CC(F)C3)C2)cc1 ZINC000826254768 607807266 /nfs/dbraw/zinc/80/72/66/607807266.db2.gz ABXDIAKYJINJRP-UHFFFAOYSA-N -1 3 393.422 3.542 20 0 GHADHM CC[C@H](SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825158799 607814127 /nfs/dbraw/zinc/81/41/27/607814127.db2.gz AJRBIYXMTWPMMD-KRWDZBQOSA-N -1 3 388.518 3.525 20 0 GHADHM CC[C@H](SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825158799 607814128 /nfs/dbraw/zinc/81/41/28/607814128.db2.gz AJRBIYXMTWPMMD-KRWDZBQOSA-N -1 3 388.518 3.525 20 0 GHADHM C[C@H]1CSc2ccccc2N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825015025 607830497 /nfs/dbraw/zinc/83/04/97/607830497.db2.gz ZADYEAIAGGQODK-CYBMUJFWSA-N -1 3 397.529 3.734 20 0 GHADHM C[C@H]1CSc2ccccc2N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825015025 607830498 /nfs/dbraw/zinc/83/04/98/607830498.db2.gz ZADYEAIAGGQODK-CYBMUJFWSA-N -1 3 397.529 3.734 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824407316 607831883 /nfs/dbraw/zinc/83/18/83/607831883.db2.gz XCOIIESMYDJVPH-NSHDSACASA-N -1 3 390.274 3.925 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824407316 607831884 /nfs/dbraw/zinc/83/18/84/607831884.db2.gz XCOIIESMYDJVPH-NSHDSACASA-N -1 3 390.274 3.925 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826441432 607832805 /nfs/dbraw/zinc/83/28/05/607832805.db2.gz DEHSABOERNYILH-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826441432 607832806 /nfs/dbraw/zinc/83/28/06/607832806.db2.gz DEHSABOERNYILH-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825012770 607843530 /nfs/dbraw/zinc/84/35/30/607843530.db2.gz LLELUWGDQOZVDI-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825012770 607843531 /nfs/dbraw/zinc/84/35/31/607843531.db2.gz LLELUWGDQOZVDI-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1cc(F)cc(F)c1 ZINC000826421242 607844072 /nfs/dbraw/zinc/84/40/72/607844072.db2.gz YNKACHHLTQMJLI-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cc(F)cc(F)c1 ZINC000826421242 607844073 /nfs/dbraw/zinc/84/40/73/607844073.db2.gz YNKACHHLTQMJLI-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826220213 607845791 /nfs/dbraw/zinc/84/57/91/607845791.db2.gz GHOWQNPFEIKYEC-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826220213 607845792 /nfs/dbraw/zinc/84/57/92/607845792.db2.gz GHOWQNPFEIKYEC-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM Nc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(F)c1 ZINC000826395461 607856637 /nfs/dbraw/zinc/85/66/37/607856637.db2.gz COTDGRGECIEXPB-UHFFFAOYSA-N -1 3 389.390 3.612 20 0 GHADHM Nc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(F)c1 ZINC000826395461 607856638 /nfs/dbraw/zinc/85/66/38/607856638.db2.gz COTDGRGECIEXPB-UHFFFAOYSA-N -1 3 389.390 3.612 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826503696 607878363 /nfs/dbraw/zinc/87/83/63/607878363.db2.gz CXAPUZWXNQKCAI-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826503696 607878364 /nfs/dbraw/zinc/87/83/64/607878364.db2.gz CXAPUZWXNQKCAI-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM CCC(=O)Nc1cccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825034774 607878625 /nfs/dbraw/zinc/87/86/25/607878625.db2.gz PGOZHVPRPRFXNF-UHFFFAOYSA-N -1 3 398.854 3.535 20 0 GHADHM CCC(=O)Nc1cccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825034774 607878626 /nfs/dbraw/zinc/87/86/26/607878626.db2.gz PGOZHVPRPRFXNF-UHFFFAOYSA-N -1 3 398.854 3.535 20 0 GHADHM Clc1cc(N2CCC[C@H]2Cn2cnc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826350692 607905735 /nfs/dbraw/zinc/90/57/35/607905735.db2.gz HFNFTWLVXIVFIH-AWEZNQCLSA-N -1 3 379.855 3.539 20 0 GHADHM Clc1cc(N2CCC[C@H]2Cn2cnc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826350692 607905736 /nfs/dbraw/zinc/90/57/36/607905736.db2.gz HFNFTWLVXIVFIH-AWEZNQCLSA-N -1 3 379.855 3.539 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CCSC1 ZINC000825820493 607917647 /nfs/dbraw/zinc/91/76/47/607917647.db2.gz HVXMPJXOSXQTFX-OAHLLOKOSA-N -1 3 396.476 3.628 20 0 GHADHM CN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CCSC1 ZINC000825820493 607917648 /nfs/dbraw/zinc/91/76/48/607917648.db2.gz HVXMPJXOSXQTFX-OAHLLOKOSA-N -1 3 396.476 3.628 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1Br ZINC000826296382 607931127 /nfs/dbraw/zinc/93/11/27/607931127.db2.gz UPGAQYNRTLNGEP-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1Br ZINC000826296382 607931128 /nfs/dbraw/zinc/93/11/28/607931128.db2.gz UPGAQYNRTLNGEP-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(C(=O)CC)c1 ZINC000825319084 607931626 /nfs/dbraw/zinc/93/16/26/607931626.db2.gz XETONNGIKHDWFF-UHFFFAOYSA-N -1 3 395.438 3.651 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(C(=O)CC)c1 ZINC000825319084 607931627 /nfs/dbraw/zinc/93/16/27/607931627.db2.gz XETONNGIKHDWFF-UHFFFAOYSA-N -1 3 395.438 3.651 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)o2)cc1 ZINC000824011170 607947694 /nfs/dbraw/zinc/94/76/94/607947694.db2.gz YFJGERKGRCVTEK-UHFFFAOYSA-N -1 3 399.410 3.532 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)o2)cc1 ZINC000824011170 607947695 /nfs/dbraw/zinc/94/76/95/607947695.db2.gz YFJGERKGRCVTEK-UHFFFAOYSA-N -1 3 399.410 3.532 20 0 GHADHM O=C(c1cc(F)c(Cl)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470161 607949729 /nfs/dbraw/zinc/94/97/29/607949729.db2.gz FYFYIMNNRDIIKV-UHFFFAOYSA-N -1 3 378.194 3.516 20 0 GHADHM O=C(c1cc(F)c(Cl)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470161 607949730 /nfs/dbraw/zinc/94/97/30/607949730.db2.gz FYFYIMNNRDIIKV-UHFFFAOYSA-N -1 3 378.194 3.516 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826323323 607950234 /nfs/dbraw/zinc/95/02/34/607950234.db2.gz ZRCBVXBCQAERPK-UHFFFAOYSA-N -1 3 394.485 3.563 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826323323 607950235 /nfs/dbraw/zinc/95/02/35/607950235.db2.gz ZRCBVXBCQAERPK-UHFFFAOYSA-N -1 3 394.485 3.563 20 0 GHADHM CC(C)c1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c2ccccc2n1 ZINC000824342009 607953089 /nfs/dbraw/zinc/95/30/89/607953089.db2.gz ICUQSZCGTHNQQC-UHFFFAOYSA-N -1 3 384.443 3.741 20 0 GHADHM CC(C)c1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c2ccccc2n1 ZINC000824342009 607953090 /nfs/dbraw/zinc/95/30/90/607953090.db2.gz ICUQSZCGTHNQQC-UHFFFAOYSA-N -1 3 384.443 3.741 20 0 GHADHM CCN(C(=O)c1cccc(C)c1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385640 607963252 /nfs/dbraw/zinc/96/32/52/607963252.db2.gz OQUACMBASUXCFQ-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1cccc(C)c1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385640 607963253 /nfs/dbraw/zinc/96/32/53/607963253.db2.gz OQUACMBASUXCFQ-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnc(-c2ccccc2)nc1 ZINC000825353231 607974899 /nfs/dbraw/zinc/97/48/99/607974899.db2.gz TXJVPCCVKQWSDB-UHFFFAOYSA-N -1 3 382.431 3.750 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnc(-c2ccccc2)nc1 ZINC000825353231 607974900 /nfs/dbraw/zinc/97/49/00/607974900.db2.gz TXJVPCCVKQWSDB-UHFFFAOYSA-N -1 3 382.431 3.750 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824721555 607994629 /nfs/dbraw/zinc/99/46/29/607994629.db2.gz BFIVBRDFPUZCFI-MRVPVSSYSA-N -1 3 397.744 3.852 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824721555 607994630 /nfs/dbraw/zinc/99/46/30/607994630.db2.gz BFIVBRDFPUZCFI-MRVPVSSYSA-N -1 3 397.744 3.852 20 0 GHADHM O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826467902 608003559 /nfs/dbraw/zinc/00/35/59/608003559.db2.gz QRMNGPBOIHDCQR-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826467902 608003560 /nfs/dbraw/zinc/00/35/60/608003560.db2.gz QRMNGPBOIHDCQR-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824447892 608008392 /nfs/dbraw/zinc/00/83/92/608008392.db2.gz DBNKKVYMUKNTIW-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824447892 608008393 /nfs/dbraw/zinc/00/83/93/608008393.db2.gz DBNKKVYMUKNTIW-QMMMGPOBSA-N -1 3 382.276 3.596 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347682 608008408 /nfs/dbraw/zinc/00/84/08/608008408.db2.gz KFZYFGPBNRSURI-HXUWFJFHSA-N -1 3 375.476 3.896 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347682 608008409 /nfs/dbraw/zinc/00/84/09/608008409.db2.gz KFZYFGPBNRSURI-HXUWFJFHSA-N -1 3 375.476 3.896 20 0 GHADHM C[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824433483 608016746 /nfs/dbraw/zinc/01/67/46/608016746.db2.gz FPBMORLVCLSDNC-ZDUSSCGKSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824433483 608016747 /nfs/dbraw/zinc/01/67/47/608016747.db2.gz FPBMORLVCLSDNC-ZDUSSCGKSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824506684 608031159 /nfs/dbraw/zinc/03/11/59/608031159.db2.gz PUWUUXMXVULLQF-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824506684 608031160 /nfs/dbraw/zinc/03/11/60/608031160.db2.gz PUWUUXMXVULLQF-ZDUSSCGKSA-N -1 3 389.419 3.870 20 0 GHADHM Clc1ccc2c(c1)nccc2N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353026 608052598 /nfs/dbraw/zinc/05/25/98/608052598.db2.gz YBVUHXDKGDEUBA-IBGZPJMESA-N -1 3 392.850 3.646 20 0 GHADHM O=C(OCCCC(F)(F)F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826462948 608075999 /nfs/dbraw/zinc/07/59/99/608075999.db2.gz OLOCSFZYOPLFEM-UHFFFAOYSA-N -1 3 396.325 3.538 20 0 GHADHM O=C(OCCCC(F)(F)F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826462948 608076000 /nfs/dbraw/zinc/07/60/00/608076000.db2.gz OLOCSFZYOPLFEM-UHFFFAOYSA-N -1 3 396.325 3.538 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824763486 608097197 /nfs/dbraw/zinc/09/71/97/608097197.db2.gz MPYZQKNDBUHABY-LLVKDONJSA-N -1 3 396.501 3.620 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824763486 608097198 /nfs/dbraw/zinc/09/71/98/608097198.db2.gz MPYZQKNDBUHABY-LLVKDONJSA-N -1 3 396.501 3.620 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c(-c2nnn[n-]2)c1 ZINC000826369014 608098845 /nfs/dbraw/zinc/09/88/45/608098845.db2.gz JIEURMKKFYGWNZ-FRRDWIJNSA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c(-c2nn[n-]n2)c1 ZINC000826369014 608098846 /nfs/dbraw/zinc/09/88/46/608098846.db2.gz JIEURMKKFYGWNZ-FRRDWIJNSA-N -1 3 387.456 3.677 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824498194 608100147 /nfs/dbraw/zinc/10/01/47/608100147.db2.gz DFZGTKUAIHLDOP-BIENJYKASA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824498194 608100148 /nfs/dbraw/zinc/10/01/48/608100148.db2.gz DFZGTKUAIHLDOP-BIENJYKASA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498209 608113134 /nfs/dbraw/zinc/11/31/34/608113134.db2.gz DQWXGWJKDDKPGV-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498209 608113135 /nfs/dbraw/zinc/11/31/35/608113135.db2.gz DQWXGWJKDDKPGV-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000824039972 608119409 /nfs/dbraw/zinc/11/94/09/608119409.db2.gz JXMWYXXPVDLRFS-ZDUSSCGKSA-N -1 3 385.418 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000824039972 608119410 /nfs/dbraw/zinc/11/94/10/608119410.db2.gz JXMWYXXPVDLRFS-ZDUSSCGKSA-N -1 3 385.418 3.686 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2nccn2CCCc2ccccc2)c1 ZINC000826351332 608124116 /nfs/dbraw/zinc/12/41/16/608124116.db2.gz IQCRQDISBCUUMS-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2nccn2CCCc2ccccc2)c1 ZINC000826351332 608124117 /nfs/dbraw/zinc/12/41/17/608124117.db2.gz IQCRQDISBCUUMS-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824040690 608159078 /nfs/dbraw/zinc/15/90/78/608159078.db2.gz SYAZGEVJWBRULI-SECBINFHSA-N -1 3 377.782 3.565 20 0 GHADHM C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824040690 608159079 /nfs/dbraw/zinc/15/90/79/608159079.db2.gz SYAZGEVJWBRULI-SECBINFHSA-N -1 3 377.782 3.565 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1c(F)cccc1F ZINC000825333286 608166665 /nfs/dbraw/zinc/16/66/65/608166665.db2.gz VGOROJDRZPNBIW-LLVKDONJSA-N -1 3 386.406 3.709 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCc2cc(Br)ccc21 ZINC000826473641 608169933 /nfs/dbraw/zinc/16/99/33/608169933.db2.gz HLDMYSRTUTUXIV-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCc2cc(Br)ccc21 ZINC000826473641 608169934 /nfs/dbraw/zinc/16/99/34/608169934.db2.gz HLDMYSRTUTUXIV-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM O=C1[C@H](Sc2cccc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000826477350 608208224 /nfs/dbraw/zinc/20/82/24/608208224.db2.gz ANGQHIIHVARLRF-CQSZACIVSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2cccc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000826477350 608208226 /nfs/dbraw/zinc/20/82/26/608208226.db2.gz ANGQHIIHVARLRF-CQSZACIVSA-N -1 3 389.843 3.557 20 0 GHADHM C[C@@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824654950 608218495 /nfs/dbraw/zinc/21/84/95/608218495.db2.gz ANFFRNCDTJYRTD-LLVKDONJSA-N -1 3 382.855 3.837 20 0 GHADHM C[C@@H](Nc1ccc(C2CC2)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824654950 608218496 /nfs/dbraw/zinc/21/84/96/608218496.db2.gz ANFFRNCDTJYRTD-LLVKDONJSA-N -1 3 382.855 3.837 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826272424 608221554 /nfs/dbraw/zinc/22/15/54/608221554.db2.gz ITKVWWJMTFOOFP-UHFFFAOYSA-N -1 3 397.508 3.511 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826272424 608221555 /nfs/dbraw/zinc/22/15/55/608221555.db2.gz ITKVWWJMTFOOFP-UHFFFAOYSA-N -1 3 397.508 3.511 20 0 GHADHM Cn1ccnc1C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826364163 608230649 /nfs/dbraw/zinc/23/06/49/608230649.db2.gz MXPSQBDWNJFWNF-IBGZPJMESA-N -1 3 396.458 3.544 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824319145 608236290 /nfs/dbraw/zinc/23/62/90/608236290.db2.gz HJYZADGXNLSFBD-XBXARRHUSA-N -1 3 388.431 3.787 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824319145 608236292 /nfs/dbraw/zinc/23/62/92/608236292.db2.gz HJYZADGXNLSFBD-XBXARRHUSA-N -1 3 388.431 3.787 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824119502 608250807 /nfs/dbraw/zinc/25/08/07/608250807.db2.gz JYMRQWPTOKSQNZ-DHZHZOJOSA-N -1 3 381.411 3.835 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824119502 608250809 /nfs/dbraw/zinc/25/08/09/608250809.db2.gz JYMRQWPTOKSQNZ-DHZHZOJOSA-N -1 3 381.411 3.835 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000826460469 608265251 /nfs/dbraw/zinc/26/52/51/608265251.db2.gz DWBWAUFUVPVGEI-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000826460469 608265253 /nfs/dbraw/zinc/26/52/53/608265253.db2.gz DWBWAUFUVPVGEI-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826168033 608266981 /nfs/dbraw/zinc/26/69/81/608266981.db2.gz ZUYOLPNKQUJGGL-HYXAFXHYSA-N -1 3 395.806 3.629 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826168033 608266983 /nfs/dbraw/zinc/26/69/83/608266983.db2.gz ZUYOLPNKQUJGGL-HYXAFXHYSA-N -1 3 395.806 3.629 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000119722630 608268498 /nfs/dbraw/zinc/26/84/98/608268498.db2.gz BLUUKJWQCHIOHV-QFBILLFUSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000119722630 608268500 /nfs/dbraw/zinc/26/85/00/608268500.db2.gz BLUUKJWQCHIOHV-QFBILLFUSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928113 608269311 /nfs/dbraw/zinc/26/93/11/608269311.db2.gz RDPWSOOBPIQLOU-XLIONFOSSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928113 608269314 /nfs/dbraw/zinc/26/93/14/608269314.db2.gz RDPWSOOBPIQLOU-XLIONFOSSA-N -1 3 399.539 3.981 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2COCc2ccccc2)n1 ZINC000826277388 608274736 /nfs/dbraw/zinc/27/47/36/608274736.db2.gz SGXQHLJNOHDVMU-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2COCc2ccccc2)n1 ZINC000826277388 608274737 /nfs/dbraw/zinc/27/47/37/608274737.db2.gz SGXQHLJNOHDVMU-UHFFFAOYSA-N -1 3 386.459 3.899 20 0 GHADHM Cc1nc(C)c(F)c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826324214 608294448 /nfs/dbraw/zinc/29/44/48/608294448.db2.gz ITWJQLNGZWVLBX-UHFFFAOYSA-N -1 3 375.411 3.692 20 0 GHADHM Cc1nc(C)c(F)c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826324214 608294450 /nfs/dbraw/zinc/29/44/50/608294450.db2.gz ITWJQLNGZWVLBX-UHFFFAOYSA-N -1 3 375.411 3.692 20 0 GHADHM Cc1scc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1C ZINC000826350451 608298049 /nfs/dbraw/zinc/29/80/49/608298049.db2.gz WPSHRWCFTQJWDU-UHFFFAOYSA-N -1 3 395.410 3.750 20 0 GHADHM Cc1scc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1C ZINC000826350451 608298050 /nfs/dbraw/zinc/29/80/50/608298050.db2.gz WPSHRWCFTQJWDU-UHFFFAOYSA-N -1 3 395.410 3.750 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000824384854 608303892 /nfs/dbraw/zinc/30/38/92/608303892.db2.gz IFSXKEWSFPTZHL-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824384854 608303895 /nfs/dbraw/zinc/30/38/95/608303895.db2.gz IFSXKEWSFPTZHL-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM CS[C@@H](C)CCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826226055 608305413 /nfs/dbraw/zinc/30/54/13/608305413.db2.gz RATIZSVROMHBBY-AWEZNQCLSA-N -1 3 381.505 3.682 20 0 GHADHM CS[C@@H](C)CCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826226055 608305414 /nfs/dbraw/zinc/30/54/14/608305414.db2.gz RATIZSVROMHBBY-AWEZNQCLSA-N -1 3 381.505 3.682 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1COC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824520965 608307933 /nfs/dbraw/zinc/30/79/33/608307933.db2.gz GTDOOWVQWBWRRP-CQSZACIVSA-N -1 3 379.464 3.673 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1COC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824520965 608307936 /nfs/dbraw/zinc/30/79/36/608307936.db2.gz GTDOOWVQWBWRRP-CQSZACIVSA-N -1 3 379.464 3.673 20 0 GHADHM CCc1nc(CNCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000825745296 608309711 /nfs/dbraw/zinc/30/97/11/608309711.db2.gz KFNBPCMMYPJDOT-UHFFFAOYSA-N -1 3 376.489 3.842 20 0 GHADHM CCc1nc(CNCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000825745296 608309713 /nfs/dbraw/zinc/30/97/13/608309713.db2.gz KFNBPCMMYPJDOT-UHFFFAOYSA-N -1 3 376.489 3.842 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)C1 ZINC000824928811 608310564 /nfs/dbraw/zinc/31/05/64/608310564.db2.gz UVHZZLHDEUMWFG-DLBZAZTESA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)C1 ZINC000824928811 608310565 /nfs/dbraw/zinc/31/05/65/608310565.db2.gz UVHZZLHDEUMWFG-DLBZAZTESA-N -1 3 385.512 3.985 20 0 GHADHM CCN(C(=O)[C@@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361053 608343152 /nfs/dbraw/zinc/34/31/52/608343152.db2.gz AJNVHSNTXOYPEC-ZDUSSCGKSA-N -1 3 385.855 3.588 20 0 GHADHM CCN(C(=O)[C@@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361053 608343154 /nfs/dbraw/zinc/34/31/54/608343154.db2.gz AJNVHSNTXOYPEC-ZDUSSCGKSA-N -1 3 385.855 3.588 20 0 GHADHM CCN(C(=O)c1coc(Br)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390214 608345237 /nfs/dbraw/zinc/34/52/37/608345237.db2.gz AZMOWZVSJDVZNW-UHFFFAOYSA-N -1 3 396.632 3.542 20 0 GHADHM CCN(C(=O)c1coc(Br)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390214 608345238 /nfs/dbraw/zinc/34/52/38/608345238.db2.gz AZMOWZVSJDVZNW-UHFFFAOYSA-N -1 3 396.632 3.542 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000826351540 608375161 /nfs/dbraw/zinc/37/51/61/608375161.db2.gz QLJAEPZCIASTBE-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000826351540 608375162 /nfs/dbraw/zinc/37/51/62/608375162.db2.gz QLJAEPZCIASTBE-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc2ccccc2c1 ZINC000824633301 608422767 /nfs/dbraw/zinc/42/27/67/608422767.db2.gz KFOQXYYIVUHGKY-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc2ccccc2c1 ZINC000824633301 608422769 /nfs/dbraw/zinc/42/27/69/608422769.db2.gz KFOQXYYIVUHGKY-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM O=C(NOC1CCCC1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826449968 608434563 /nfs/dbraw/zinc/43/45/63/608434563.db2.gz QYYOMBTUOOHPNJ-UHFFFAOYSA-N -1 3 399.838 3.916 20 0 GHADHM O=C(NOC1CCCC1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826449968 608434565 /nfs/dbraw/zinc/43/45/65/608434565.db2.gz QYYOMBTUOOHPNJ-UHFFFAOYSA-N -1 3 399.838 3.916 20 0 GHADHM c1ccc2c(c1)oc1c2ncnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868205 608441150 /nfs/dbraw/zinc/44/11/50/608441150.db2.gz QVPPGAGNIGWJFD-UHFFFAOYSA-N -1 3 395.426 3.850 20 0 GHADHM c1ccc2c(c1)oc1c2ncnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823868205 608441152 /nfs/dbraw/zinc/44/11/52/608441152.db2.gz QVPPGAGNIGWJFD-UHFFFAOYSA-N -1 3 395.426 3.850 20 0 GHADHM Clc1ccc(C[C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000826351955 608443756 /nfs/dbraw/zinc/44/37/56/608443756.db2.gz ICVBMIZUPVWZFG-QGZVFWFLSA-N -1 3 377.839 3.706 20 0 GHADHM Clc1ccc(C[C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000826351955 608443757 /nfs/dbraw/zinc/44/37/57/608443757.db2.gz ICVBMIZUPVWZFG-QGZVFWFLSA-N -1 3 377.839 3.706 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc2cccnc21 ZINC000824325037 608443955 /nfs/dbraw/zinc/44/39/55/608443955.db2.gz YMODRMMLCKNNFK-UHFFFAOYSA-N -1 3 392.394 3.594 20 0 GHADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826373649 608471318 /nfs/dbraw/zinc/47/13/18/608471318.db2.gz UYZODHPWEAKMBD-OAHLLOKOSA-N -1 3 383.324 3.928 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825126834 608478644 /nfs/dbraw/zinc/47/86/44/608478644.db2.gz JQBTYIGUPVUDGW-CQSZACIVSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@H](CSC)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825126834 608478646 /nfs/dbraw/zinc/47/86/46/608478646.db2.gz JQBTYIGUPVUDGW-CQSZACIVSA-N -1 3 398.492 3.922 20 0 GHADHM O=C(CCn1ccc2ccccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826409680 608480847 /nfs/dbraw/zinc/48/08/47/608480847.db2.gz KIVLUHARFJNFMD-UHFFFAOYSA-N -1 3 398.470 3.527 20 0 GHADHM O=C(CCn1ccc2ccccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826409680 608480850 /nfs/dbraw/zinc/48/08/50/608480850.db2.gz KIVLUHARFJNFMD-UHFFFAOYSA-N -1 3 398.470 3.527 20 0 GHADHM Cc1cccc2cc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)oc21 ZINC000826305455 608483400 /nfs/dbraw/zinc/48/34/00/608483400.db2.gz XHQVDCUJCATOCN-UHFFFAOYSA-N -1 3 385.427 3.851 20 0 GHADHM Cc1cccc2cc(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)oc21 ZINC000826305455 608483402 /nfs/dbraw/zinc/48/34/02/608483402.db2.gz XHQVDCUJCATOCN-UHFFFAOYSA-N -1 3 385.427 3.851 20 0 GHADHM O=C(c1cccc(-n2cccc2)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473728 608488938 /nfs/dbraw/zinc/48/89/38/608488938.db2.gz KTIKFAODOAKZPG-UHFFFAOYSA-N -1 3 396.454 3.587 20 0 GHADHM O=C(c1cccc(-n2cccc2)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473728 608488939 /nfs/dbraw/zinc/48/89/39/608488939.db2.gz KTIKFAODOAKZPG-UHFFFAOYSA-N -1 3 396.454 3.587 20 0 GHADHM C[C@H](N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547117 608517191 /nfs/dbraw/zinc/51/71/91/608517191.db2.gz MPUGTUWETJIMSS-SCLBCKFNSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@H](N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547117 608517193 /nfs/dbraw/zinc/51/71/93/608517193.db2.gz MPUGTUWETJIMSS-SCLBCKFNSA-N -1 3 387.447 3.645 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cccc(Cl)c1Cl ZINC000826460216 608571042 /nfs/dbraw/zinc/57/10/42/608571042.db2.gz RZYPXLZBBXYACC-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cccc(Cl)c1Cl ZINC000826460216 608571044 /nfs/dbraw/zinc/57/10/44/608571044.db2.gz RZYPXLZBBXYACC-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM Clc1cccc2c1OCCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826350875 608589494 /nfs/dbraw/zinc/58/94/94/608589494.db2.gz OOZBTVXIFOZBAK-ZDUSSCGKSA-N -1 3 377.235 3.894 20 0 GHADHM Clc1cccc2c1OCCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826350875 608589496 /nfs/dbraw/zinc/58/94/96/608589496.db2.gz OOZBTVXIFOZBAK-ZDUSSCGKSA-N -1 3 377.235 3.894 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000824285044 608589979 /nfs/dbraw/zinc/58/99/79/608589979.db2.gz UROUQTLLJMTISO-CYBMUJFWSA-N -1 3 380.452 3.515 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000824285044 608589980 /nfs/dbraw/zinc/58/99/80/608589980.db2.gz UROUQTLLJMTISO-CYBMUJFWSA-N -1 3 380.452 3.515 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccccc1 ZINC000825796480 608668795 /nfs/dbraw/zinc/66/87/95/608668795.db2.gz FWCPSTLDPWXHHM-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccccc1 ZINC000825796480 608668796 /nfs/dbraw/zinc/66/87/96/608668796.db2.gz FWCPSTLDPWXHHM-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCCc1nc2ccccc2n1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825353294 608812848 /nfs/dbraw/zinc/81/28/48/608812848.db2.gz UKKNHFZNGVMLFL-UHFFFAOYSA-N -1 3 389.463 3.506 20 0 GHADHM CCCc1nc2ccccc2n1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825353294 608812850 /nfs/dbraw/zinc/81/28/50/608812850.db2.gz UKKNHFZNGVMLFL-UHFFFAOYSA-N -1 3 389.463 3.506 20 0 GHADHM CC1(C)CC[C@H](CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824795628 608824097 /nfs/dbraw/zinc/82/40/97/608824097.db2.gz BCZHBJXBJRUGGE-GFCCVEGCSA-N -1 3 396.882 3.500 20 0 GHADHM CC1(C)CC[C@H](CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824795628 608824099 /nfs/dbraw/zinc/82/40/99/608824099.db2.gz BCZHBJXBJRUGGE-GFCCVEGCSA-N -1 3 396.882 3.500 20 0 GHADHM Clc1ccc(/C=C\CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351182 608851005 /nfs/dbraw/zinc/85/10/05/608851005.db2.gz BDICUDBSFANSOE-AXMVSILFSA-N -1 3 381.867 3.607 20 0 GHADHM Clc1ccc(/C=C\CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351182 608851006 /nfs/dbraw/zinc/85/10/06/608851006.db2.gz BDICUDBSFANSOE-AXMVSILFSA-N -1 3 381.867 3.607 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccn1 ZINC000825074929 609141541 /nfs/dbraw/zinc/14/15/41/609141541.db2.gz LGZTYZZBLKYWBX-NSHDSACASA-N -1 3 398.492 3.632 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccn1 ZINC000825074929 609141543 /nfs/dbraw/zinc/14/15/43/609141543.db2.gz LGZTYZZBLKYWBX-NSHDSACASA-N -1 3 398.492 3.632 20 0 GHADHM C[C@@H](NCc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611606 609143125 /nfs/dbraw/zinc/14/31/25/609143125.db2.gz CJKPCFQAENZBQC-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000826230979 609143612 /nfs/dbraw/zinc/14/36/12/609143612.db2.gz RHSLTMUVNIFBOA-LLVKDONJSA-N -1 3 399.545 3.956 20 0 GHADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826230979 609143613 /nfs/dbraw/zinc/14/36/13/609143613.db2.gz RHSLTMUVNIFBOA-LLVKDONJSA-N -1 3 399.545 3.956 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721709 609143868 /nfs/dbraw/zinc/14/38/68/609143868.db2.gz CSOOBCAKYDPRSK-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721709 609143869 /nfs/dbraw/zinc/14/38/69/609143869.db2.gz CSOOBCAKYDPRSK-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM CC(C)n1cc2c(n1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCC2 ZINC000824371903 609149978 /nfs/dbraw/zinc/14/99/78/609149978.db2.gz YBBJBXPCKIKWMN-LBPRGKRZSA-N -1 3 392.389 3.547 20 0 GHADHM CC(C)n1cc2c(n1)[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCC2 ZINC000824371903 609149979 /nfs/dbraw/zinc/14/99/79/609149979.db2.gz YBBJBXPCKIKWMN-LBPRGKRZSA-N -1 3 392.389 3.547 20 0 GHADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000826363044 609156613 /nfs/dbraw/zinc/15/66/13/609156613.db2.gz UPNIMJLAFWXVOL-GFCCVEGCSA-N -1 3 384.509 3.670 20 0 GHADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000826363044 609156614 /nfs/dbraw/zinc/15/66/14/609156614.db2.gz UPNIMJLAFWXVOL-GFCCVEGCSA-N -1 3 384.509 3.670 20 0 GHADHM CC(C)C(=O)Nc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000824184641 609162049 /nfs/dbraw/zinc/16/20/49/609162049.db2.gz HXYZTNZPDKYYOV-IBGZPJMESA-N -1 3 376.464 3.951 20 0 GHADHM CC(C)C(=O)Nc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824184641 609162057 /nfs/dbraw/zinc/16/20/57/609162057.db2.gz HXYZTNZPDKYYOV-IBGZPJMESA-N -1 3 376.464 3.951 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC000826233435 609164997 /nfs/dbraw/zinc/16/49/97/609164997.db2.gz HHKMVZSTUNROLJ-SFHVURJKSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC000826233435 609164998 /nfs/dbraw/zinc/16/49/98/609164998.db2.gz HHKMVZSTUNROLJ-SFHVURJKSA-N -1 3 384.443 3.553 20 0 GHADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826162798 609180848 /nfs/dbraw/zinc/18/08/48/609180848.db2.gz SHUSLOGKDIKLAO-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826162798 609180851 /nfs/dbraw/zinc/18/08/51/609180851.db2.gz SHUSLOGKDIKLAO-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM c1cc(O[C@H]2CCOC2)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517876 609238227 /nfs/dbraw/zinc/23/82/27/609238227.db2.gz ROKHZRFOTDVOCE-ICSRJNTNSA-N -1 3 377.448 3.524 20 0 GHADHM c1cc(O[C@H]2CCOC2)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517876 609238229 /nfs/dbraw/zinc/23/82/29/609238229.db2.gz ROKHZRFOTDVOCE-ICSRJNTNSA-N -1 3 377.448 3.524 20 0 GHADHM CC[C@H](c1nnc(NCc2cc(-c3nnn[n-]3)cs2)s1)c1ccccc1 ZINC000825159356 609265991 /nfs/dbraw/zinc/26/59/91/609265991.db2.gz NXLNBEAJHNNOSS-AWEZNQCLSA-N -1 3 383.506 3.934 20 0 GHADHM CC[C@H](c1nnc(NCc2cc(-c3nn[n-]n3)cs2)s1)c1ccccc1 ZINC000825159356 609265992 /nfs/dbraw/zinc/26/59/92/609265992.db2.gz NXLNBEAJHNNOSS-AWEZNQCLSA-N -1 3 383.506 3.934 20 0 GHADHM O=C(Nc1ccc(O)cc1F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826454638 609267893 /nfs/dbraw/zinc/26/78/93/609267893.db2.gz DTPFOHZHZPDELC-UHFFFAOYSA-N -1 3 375.363 3.631 20 0 GHADHM Fc1cccc(-n2ccc(NCc3cc4ccccc4o3)n2)c1-c1nnn[n-]1 ZINC000826376440 609281406 /nfs/dbraw/zinc/28/14/06/609281406.db2.gz DTJKINUTAHGYIP-UHFFFAOYSA-N -1 3 375.367 3.550 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCCC1 ZINC000826234837 609282744 /nfs/dbraw/zinc/28/27/44/609282744.db2.gz PXSSEDKNIDKZKM-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCCC1 ZINC000826234837 609282747 /nfs/dbraw/zinc/28/27/47/609282747.db2.gz PXSSEDKNIDKZKM-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1nscc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826340473 609296360 /nfs/dbraw/zinc/29/63/60/609296360.db2.gz ZXDHBPZWZWKYEK-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nscc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826340473 609296362 /nfs/dbraw/zinc/29/63/62/609296362.db2.gz ZXDHBPZWZWKYEK-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nnc(SCCc2cccc(OC(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000826337414 609308813 /nfs/dbraw/zinc/30/88/13/609308813.db2.gz NPPVNLNTWNXRQS-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM Cc1nnc(SCCc2cccc(OC(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000826337414 609308814 /nfs/dbraw/zinc/30/88/14/609308814.db2.gz NPPVNLNTWNXRQS-UHFFFAOYSA-N -1 3 396.398 3.507 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000826154935 609314649 /nfs/dbraw/zinc/31/46/49/609314649.db2.gz AWCCRZKIEIOUQW-LBPRGKRZSA-N -1 3 397.504 3.695 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000826154935 609314650 /nfs/dbraw/zinc/31/46/50/609314650.db2.gz AWCCRZKIEIOUQW-LBPRGKRZSA-N -1 3 397.504 3.695 20 0 GHADHM O=C(NCc1ccsc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826443633 609314883 /nfs/dbraw/zinc/31/48/83/609314883.db2.gz XESAKPNRFVFOGS-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM O=C(NCc1ccsc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826443633 609314885 /nfs/dbraw/zinc/31/48/85/609314885.db2.gz XESAKPNRFVFOGS-UHFFFAOYSA-N -1 3 377.429 3.651 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429110 609314916 /nfs/dbraw/zinc/31/49/16/609314916.db2.gz UOXNHRRYTFODRG-RBUKOAKNSA-N -1 3 397.438 3.945 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429110 609314918 /nfs/dbraw/zinc/31/49/18/609314918.db2.gz UOXNHRRYTFODRG-RBUKOAKNSA-N -1 3 397.438 3.945 20 0 GHADHM COCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(C)o1 ZINC000826155308 609322672 /nfs/dbraw/zinc/32/26/72/609322672.db2.gz LYVINZCMHVFENP-AWEZNQCLSA-N -1 3 392.257 3.720 20 0 GHADHM CCOc1cc2c(cc1CN[C@@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000825616136 609323574 /nfs/dbraw/zinc/32/35/74/609323574.db2.gz XRTGEANAKQDBGR-OLZOCXBDSA-N -1 3 397.454 3.579 20 0 GHADHM CCOc1cc2c(cc1CN[C@@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000825616136 609323576 /nfs/dbraw/zinc/32/35/76/609323576.db2.gz XRTGEANAKQDBGR-OLZOCXBDSA-N -1 3 397.454 3.579 20 0 GHADHM C[C@H](NCc1ccnc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824624633 609326227 /nfs/dbraw/zinc/32/62/27/609326227.db2.gz ASOGJEXPLRPXQU-ZDUSSCGKSA-N -1 3 382.443 3.573 20 0 GHADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536934 609328689 /nfs/dbraw/zinc/32/86/89/609328689.db2.gz ALMZJADLIIXMDK-SGTLLEGYSA-N -1 3 379.443 3.930 20 0 GHADHM CC(C)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000824536934 609328691 /nfs/dbraw/zinc/32/86/91/609328691.db2.gz ALMZJADLIIXMDK-SGTLLEGYSA-N -1 3 379.443 3.930 20 0 GHADHM CN(CCOC(C)(C)C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825941615 609331147 /nfs/dbraw/zinc/33/11/47/609331147.db2.gz LMTCZKRTIDPHRJ-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CN(CCOC(C)(C)C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825941615 609331149 /nfs/dbraw/zinc/33/11/49/609331149.db2.gz LMTCZKRTIDPHRJ-UHFFFAOYSA-N -1 3 395.463 3.546 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825127884 609335507 /nfs/dbraw/zinc/33/55/07/609335507.db2.gz PEFMGILQUGDHSM-ZDUSSCGKSA-N -1 3 383.477 3.530 20 0 GHADHM CC[C@@H](CSC)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825127884 609335510 /nfs/dbraw/zinc/33/55/10/609335510.db2.gz PEFMGILQUGDHSM-ZDUSSCGKSA-N -1 3 383.477 3.530 20 0 GHADHM Cc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826299389 609342642 /nfs/dbraw/zinc/34/26/42/609342642.db2.gz CANMSZUTVOCUOF-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826299389 609342643 /nfs/dbraw/zinc/34/26/43/609342643.db2.gz CANMSZUTVOCUOF-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826291328 609342833 /nfs/dbraw/zinc/34/28/33/609342833.db2.gz ALGVIQYUOFOEHB-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826291328 609342834 /nfs/dbraw/zinc/34/28/34/609342834.db2.gz ALGVIQYUOFOEHB-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM CC1(C)C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824788546 609347597 /nfs/dbraw/zinc/34/75/97/609347597.db2.gz ACDULNJFNDNOAS-GOSISDBHSA-N -1 3 391.475 3.610 20 0 GHADHM CC1(C)C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824788546 609347599 /nfs/dbraw/zinc/34/75/99/609347599.db2.gz ACDULNJFNDNOAS-GOSISDBHSA-N -1 3 391.475 3.610 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663012 609349077 /nfs/dbraw/zinc/34/90/77/609349077.db2.gz ULRLTJSFDYCRTN-CQSZACIVSA-N -1 3 394.454 3.805 20 0 GHADHM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663012 609349078 /nfs/dbraw/zinc/34/90/78/609349078.db2.gz ULRLTJSFDYCRTN-CQSZACIVSA-N -1 3 394.454 3.805 20 0 GHADHM Cc1cccc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000826297949 609364567 /nfs/dbraw/zinc/36/45/67/609364567.db2.gz XSNDZTZYJZFCTQ-KRWDZBQOSA-N -1 3 399.296 3.670 20 0 GHADHM O=C(Nc1ccc2[nH]cnc2c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826456096 609379618 /nfs/dbraw/zinc/37/96/18/609379618.db2.gz QCBXUMBOIKAZOA-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCS1 ZINC000824808214 609385543 /nfs/dbraw/zinc/38/55/43/609385543.db2.gz RDPSDCXNAZWTAF-UHFFFAOYSA-N -1 3 395.488 3.627 20 0 GHADHM CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCS1 ZINC000824808214 609385545 /nfs/dbraw/zinc/38/55/45/609385545.db2.gz RDPSDCXNAZWTAF-UHFFFAOYSA-N -1 3 395.488 3.627 20 0 GHADHM CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824152971 609395965 /nfs/dbraw/zinc/39/59/65/609395965.db2.gz WIOLUVAFHKJJTN-UHFFFAOYSA-N -1 3 398.850 3.863 20 0 GHADHM CC(C)(CC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824152971 609395968 /nfs/dbraw/zinc/39/59/68/609395968.db2.gz WIOLUVAFHKJJTN-UHFFFAOYSA-N -1 3 398.850 3.863 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826401632 609404738 /nfs/dbraw/zinc/40/47/38/609404738.db2.gz CULYVFIDMXIOED-CKDIWJPDSA-N -1 3 391.450 3.815 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826401632 609404740 /nfs/dbraw/zinc/40/47/40/609404740.db2.gz CULYVFIDMXIOED-CKDIWJPDSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917121 609432748 /nfs/dbraw/zinc/43/27/48/609432748.db2.gz MBKUIPSDBHCHKA-QGHHPUGFSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917121 609432750 /nfs/dbraw/zinc/43/27/50/609432750.db2.gz MBKUIPSDBHCHKA-QGHHPUGFSA-N -1 3 380.279 3.826 20 0 GHADHM Fc1cccc(F)c1-n1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000826377293 609438348 /nfs/dbraw/zinc/43/83/48/609438348.db2.gz LZJMUZPAAMQGKA-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1cccc(F)c1-n1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000826377293 609438349 /nfs/dbraw/zinc/43/83/49/609438349.db2.gz LZJMUZPAAMQGKA-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000826420259 609454035 /nfs/dbraw/zinc/45/40/35/609454035.db2.gz FQQIUTMSGGJLQM-UHFFFAOYSA-N -1 3 382.342 4.000 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000826420259 609454038 /nfs/dbraw/zinc/45/40/38/609454038.db2.gz FQQIUTMSGGJLQM-UHFFFAOYSA-N -1 3 382.342 4.000 20 0 GHADHM C[C@H](NC(=O)Nc1ccccn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505366 609454689 /nfs/dbraw/zinc/45/46/89/609454689.db2.gz BQWIBMSPAYWRQM-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1ccccn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505366 609454692 /nfs/dbraw/zinc/45/46/92/609454692.db2.gz BQWIBMSPAYWRQM-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000826272035 609488784 /nfs/dbraw/zinc/48/87/84/609488784.db2.gz RNZGIZUTFUDAEV-IUODEOHRSA-N -1 3 378.436 3.737 20 0 GHADHM CC(C)Oc1ccc(NCc2c(C3CC3)nc3sccn23)cc1-c1nnn[n-]1 ZINC000824329560 609492414 /nfs/dbraw/zinc/49/24/14/609492414.db2.gz QYLNIESPRFTFPL-UHFFFAOYSA-N -1 3 395.492 3.853 20 0 GHADHM CC(C)Oc1ccc(NCc2c(C3CC3)nc3sccn23)cc1-c1nn[n-]n1 ZINC000824329560 609492416 /nfs/dbraw/zinc/49/24/16/609492416.db2.gz QYLNIESPRFTFPL-UHFFFAOYSA-N -1 3 395.492 3.853 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826315571 609492508 /nfs/dbraw/zinc/49/25/08/609492508.db2.gz MXOWKRHGXCQFFH-CMDGGOBGSA-N -1 3 394.504 3.943 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826315571 609492510 /nfs/dbraw/zinc/49/25/10/609492510.db2.gz MXOWKRHGXCQFFH-CMDGGOBGSA-N -1 3 394.504 3.943 20 0 GHADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824925765 609499206 /nfs/dbraw/zinc/49/92/06/609499206.db2.gz GSVGQFHZXWSVBF-LIRRHRJNSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824925765 609499207 /nfs/dbraw/zinc/49/92/07/609499207.db2.gz GSVGQFHZXWSVBF-LIRRHRJNSA-N -1 3 377.448 3.820 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825255563 609506512 /nfs/dbraw/zinc/50/65/12/609506512.db2.gz XLBICXKURQHPJF-LSDHHAIUSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825255563 609506513 /nfs/dbraw/zinc/50/65/13/609506513.db2.gz XLBICXKURQHPJF-LSDHHAIUSA-N -1 3 398.492 3.524 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)/C(C)=C(\C)CC ZINC000825605034 609509916 /nfs/dbraw/zinc/50/99/16/609509916.db2.gz OJHPJGJIPDSAGU-MDZDMXLPSA-N -1 3 395.257 3.680 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)/C(C)=C(\C)CC ZINC000825605034 609509918 /nfs/dbraw/zinc/50/99/18/609509918.db2.gz OJHPJGJIPDSAGU-MDZDMXLPSA-N -1 3 395.257 3.680 20 0 GHADHM O=C(NC[C@H]1CCCCS1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826435025 609513861 /nfs/dbraw/zinc/51/38/61/609513861.db2.gz DXSOAHXBCXVWKR-CQSZACIVSA-N -1 3 395.488 3.675 20 0 GHADHM O=C(NC[C@H]1CCCCS1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826435025 609513864 /nfs/dbraw/zinc/51/38/64/609513864.db2.gz DXSOAHXBCXVWKR-CQSZACIVSA-N -1 3 395.488 3.675 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1ncc(Cl)c(C)c1-c1nnn[n-]1)CC3 ZINC000826293677 609530920 /nfs/dbraw/zinc/53/09/20/609530920.db2.gz XWMXPLHIIWMFLJ-UHFFFAOYSA-N -1 3 379.855 3.576 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1ncc(Cl)c(C)c1-c1nn[n-]n1)CC3 ZINC000826293677 609530922 /nfs/dbraw/zinc/53/09/22/609530922.db2.gz XWMXPLHIIWMFLJ-UHFFFAOYSA-N -1 3 379.855 3.576 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1-c1nnn[n-]1 ZINC000826237581 609532399 /nfs/dbraw/zinc/53/23/99/609532399.db2.gz FFEPVFJOJYYAIL-GFCCVEGCSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1-c1nn[n-]n1 ZINC000826237581 609532401 /nfs/dbraw/zinc/53/24/01/609532401.db2.gz FFEPVFJOJYYAIL-GFCCVEGCSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826239624 609539799 /nfs/dbraw/zinc/53/97/99/609539799.db2.gz LZVZDAKTPUWVJJ-PBHICJAKSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826239624 609539801 /nfs/dbraw/zinc/53/98/01/609539801.db2.gz LZVZDAKTPUWVJJ-PBHICJAKSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1cnc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(C)c1 ZINC000826317590 609563881 /nfs/dbraw/zinc/56/38/81/609563881.db2.gz IJYXMMSTHQIZTB-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1-c1nnn[n-]1 ZINC000826311125 609572227 /nfs/dbraw/zinc/57/22/27/609572227.db2.gz UPDFYXSLQCTLLA-KRWDZBQOSA-N -1 3 388.479 3.842 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1-c1nn[n-]n1 ZINC000826311125 609572230 /nfs/dbraw/zinc/57/22/30/609572230.db2.gz UPDFYXSLQCTLLA-KRWDZBQOSA-N -1 3 388.479 3.842 20 0 GHADHM COc1cccc([C@@H]2C[C@@H](C)CN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826215389 609592989 /nfs/dbraw/zinc/59/29/89/609592989.db2.gz NMTJYLHDDBPURQ-BZNIZROVSA-N -1 3 384.871 3.820 20 0 GHADHM COc1cccc([C@@H]2C[C@@H](C)CN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826215389 609592990 /nfs/dbraw/zinc/59/29/90/609592990.db2.gz NMTJYLHDDBPURQ-BZNIZROVSA-N -1 3 384.871 3.820 20 0 GHADHM CCOc1ccc([C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)C)cc1OCC ZINC000825639470 609599141 /nfs/dbraw/zinc/59/91/41/609599141.db2.gz WZARCGCWUBCHRK-SFHVURJKSA-N -1 3 382.468 3.868 20 0 GHADHM CCOc1ccc([C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)C)cc1OCC ZINC000825639470 609599142 /nfs/dbraw/zinc/59/91/42/609599142.db2.gz WZARCGCWUBCHRK-SFHVURJKSA-N -1 3 382.468 3.868 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826219240 609618531 /nfs/dbraw/zinc/61/85/31/609618531.db2.gz WONRMVYQADOOTF-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826219240 609618532 /nfs/dbraw/zinc/61/85/32/609618532.db2.gz WONRMVYQADOOTF-GFCCVEGCSA-N -1 3 386.839 3.766 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000176539330 837425134 /nfs/dbraw/zinc/42/51/34/837425134.db2.gz SYJFIYPNWPUHQS-GOSISDBHSA-N -1 3 382.460 3.813 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1nc(Cc2ccccc2)no1 ZINC000176739913 837520929 /nfs/dbraw/zinc/52/09/29/837520929.db2.gz CRARANQULXJIPY-HNNXBMFYSA-N -1 3 393.468 3.853 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)sc1C ZINC000173227531 837603645 /nfs/dbraw/zinc/60/36/45/837603645.db2.gz FZLJJOVKQJLPMK-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM COc1ccc(CN(C(=O)c2cc(SC)ccc2[O-])[C@H](CO)C(C)C)cc1 ZINC000613331470 837613965 /nfs/dbraw/zinc/61/39/65/837613965.db2.gz VPSUOYMSWAUJCA-LJQANCHMSA-N -1 3 389.517 3.782 20 0 GHADHM C[C@H](Oc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cn1)c1ccccc1 ZINC000613341013 837693569 /nfs/dbraw/zinc/69/35/69/837693569.db2.gz CXDGKWQEWHQTAZ-ZDUSSCGKSA-N -1 3 375.388 3.852 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173329091 837686661 /nfs/dbraw/zinc/68/66/61/837686661.db2.gz TXEWFOVEPFAKHQ-SJCJKPOMSA-N -1 3 381.432 3.731 20 0 GHADHM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000414395617 837700468 /nfs/dbraw/zinc/70/04/68/837700468.db2.gz KNZOISLCFPGMFI-UHFFFAOYSA-N -1 3 378.469 3.626 20 0 GHADHM Cc1cc([N-]S(=O)(=O)Cc2ccccc2F)c(F)cc1Br ZINC000396487299 834448378 /nfs/dbraw/zinc/44/83/78/834448378.db2.gz AIHVUBPGQPNIEV-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170810883 834637995 /nfs/dbraw/zinc/63/79/95/834637995.db2.gz FBBMQBBKEHAKRI-AZUAARDMSA-N -1 3 380.488 3.524 20 0 GHADHM CNC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1C ZINC000093962853 834711458 /nfs/dbraw/zinc/71/14/58/834711458.db2.gz STHGWCZERCRTOC-UHFFFAOYSA-N -1 3 390.439 3.892 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)c1 ZINC000094099230 834723061 /nfs/dbraw/zinc/72/30/61/834723061.db2.gz VUMBJXGWTHWIEW-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC[C@@H]1c1ncon1 ZINC000094161002 834728375 /nfs/dbraw/zinc/72/83/75/834728375.db2.gz OLNCVIDFDIVCJY-LJQANCHMSA-N -1 3 377.444 3.928 20 0 GHADHM Cc1ccsc1-c1nc(=NC(=O)C2CCN(Cc3ccccc3)CC2)s[n-]1 ZINC000472295912 834790153 /nfs/dbraw/zinc/79/01/53/834790153.db2.gz PIZANVGIAWANKL-UHFFFAOYSA-N -1 3 398.557 3.848 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000146547417 834825402 /nfs/dbraw/zinc/82/54/02/834825402.db2.gz AFQQGGHWVQKSBU-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM COc1cccc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1OC ZINC000583669156 834847149 /nfs/dbraw/zinc/84/71/49/834847149.db2.gz XGYCRXXKYCZRLY-UHFFFAOYSA-N -1 3 392.415 3.806 20 0 GHADHM Cc1noc([C@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)n1 ZINC000157372005 834888490 /nfs/dbraw/zinc/88/84/90/834888490.db2.gz MFXRFQARIFZESD-HNNXBMFYSA-N -1 3 379.416 3.896 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Br)c(F)c2)cc1 ZINC000683171875 834908423 /nfs/dbraw/zinc/90/84/23/834908423.db2.gz ROHQMSHSXNEZKG-INIZCTEOSA-N -1 3 382.229 3.902 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC001211595286 834912354 /nfs/dbraw/zinc/91/23/54/834912354.db2.gz SSSXVZOMEROASR-LNPFQXMTSA-N -1 3 378.604 3.856 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cs1 ZINC000472303861 835073978 /nfs/dbraw/zinc/07/39/78/835073978.db2.gz DFCCNRBPEPZXTD-JTQLQIEISA-N -1 3 384.454 3.523 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(CO)CC(c4ccccc4)C3)nc2)n1 ZINC000432834496 844018467 /nfs/dbraw/zinc/01/84/67/844018467.db2.gz BZWXBMWRWZAWPH-UHFFFAOYSA-N -1 3 390.487 3.775 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)cc1F ZINC000030008182 844031891 /nfs/dbraw/zinc/03/18/91/844031891.db2.gz HUBUBQZZVAZNBQ-QGZVFWFLSA-N -1 3 382.888 3.595 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3nc4ccccc4s3)nc21 ZINC000254944187 835351441 /nfs/dbraw/zinc/35/14/41/835351441.db2.gz APMHVQHKAPNNDB-KTKRTIGZSA-N -1 3 378.413 3.611 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000109127237 835359719 /nfs/dbraw/zinc/35/97/19/835359719.db2.gz UWZQIRBBTCECLI-UHFFFAOYSA-N -1 3 394.880 3.519 20 0 GHADHM O=C1[N-]C(=O)/C(=C\N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc21 ZINC000254949003 835372607 /nfs/dbraw/zinc/37/26/07/835372607.db2.gz YAYIEFVWTQHCCP-IZNAZMGOSA-N -1 3 378.325 3.720 20 0 GHADHM CCc1csc(CC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)n1 ZINC000655260130 835439529 /nfs/dbraw/zinc/43/95/29/835439529.db2.gz GYMJCEGQNQXWAL-UHFFFAOYSA-N -1 3 381.501 3.642 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000647372544 835503732 /nfs/dbraw/zinc/50/37/32/835503732.db2.gz OOXOXXYGZDADFW-RYUDHWBXSA-N -1 3 387.307 3.746 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000158700328 835506082 /nfs/dbraw/zinc/50/60/82/835506082.db2.gz PVRRKBOSGYKWAH-KOLCDFICSA-N -1 3 399.818 3.526 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(C)on2)c(C(=O)OC(C)(C)C)c1C ZINC000548817647 835517214 /nfs/dbraw/zinc/51/72/14/835517214.db2.gz LFYOGXOHPKFHRX-UHFFFAOYSA-N -1 3 394.449 3.737 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2c(C)noc2C)sc1Br ZINC000158765357 835533252 /nfs/dbraw/zinc/53/32/52/835533252.db2.gz HEVKCIARYABXJI-QMMMGPOBSA-N -1 3 393.328 3.506 20 0 GHADHM O=C(CCCOc1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000151600021 835574683 /nfs/dbraw/zinc/57/46/83/835574683.db2.gz WFSMISRQNNPQIE-UHFFFAOYSA-N -1 3 382.229 3.769 20 0 GHADHM COc1ccc(CCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151622662 835663760 /nfs/dbraw/zinc/66/37/60/835663760.db2.gz PBIZPVDLYKXBKH-UHFFFAOYSA-N -1 3 378.266 3.802 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000023440856 835679608 /nfs/dbraw/zinc/67/96/08/835679608.db2.gz MONUCHNUQKAPMQ-UHFFFAOYSA-N -1 3 385.816 3.821 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCc3nc(-c4cccs4)no3)[nH][n-]2)c1 ZINC000512530626 844078285 /nfs/dbraw/zinc/07/82/85/844078285.db2.gz MYGJWJIADQAVDP-UHFFFAOYSA-N -1 3 393.472 3.798 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000683261687 835791634 /nfs/dbraw/zinc/79/16/34/835791634.db2.gz CEDZSWBWFFNLRF-QMMMGPOBSA-N -1 3 383.673 3.720 20 0 GHADHM COc1cc(-c2nc(CCCOCCc3ccccc3)no2)cc(OC)c1[O-] ZINC000274971026 835857571 /nfs/dbraw/zinc/85/75/71/835857571.db2.gz ILKFDPAAGYRXTA-UHFFFAOYSA-N -1 3 384.432 3.651 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000893734944 844099964 /nfs/dbraw/zinc/09/99/64/844099964.db2.gz KTYWLQAFFJMAES-HUUCEWRRSA-N -1 3 397.313 3.503 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000547739524 835897566 /nfs/dbraw/zinc/89/75/66/835897566.db2.gz GWIPWFIHSIRRHT-JSGCOSHPSA-N -1 3 388.777 3.762 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CCC(C)C)c1C ZINC000160172744 835966619 /nfs/dbraw/zinc/96/66/19/835966619.db2.gz YZCOWVIFSXRJJH-INIZCTEOSA-N -1 3 382.464 3.598 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000646898954 836027398 /nfs/dbraw/zinc/02/73/98/836027398.db2.gz GTRUZZWPZOHOIL-KRWDZBQOSA-N -1 3 387.398 3.601 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCO[C@@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000548480535 844129835 /nfs/dbraw/zinc/12/98/35/844129835.db2.gz VVGPBXBYSMGELR-IEBWSBKVSA-N -1 3 384.480 3.873 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000613386277 836266623 /nfs/dbraw/zinc/26/66/23/836266623.db2.gz BIGODEGEADEDFU-INIZCTEOSA-N -1 3 391.349 3.501 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001167114624 836318892 /nfs/dbraw/zinc/31/88/92/836318892.db2.gz VSQSPSGYQQFNBO-ZWKOTPCHSA-N -1 3 382.460 3.525 20 0 GHADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1F ZINC000066587821 836375152 /nfs/dbraw/zinc/37/51/52/836375152.db2.gz MVBSLAUMIOWQLL-UHFFFAOYSA-N -1 3 396.440 3.900 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000109547811 836382413 /nfs/dbraw/zinc/38/24/13/836382413.db2.gz KEORYVBIPMLYLQ-UHFFFAOYSA-N -1 3 389.521 3.937 20 0 GHADHM Cc1cc2occ(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)c2cc1C ZINC000547780765 836385172 /nfs/dbraw/zinc/38/51/72/836385172.db2.gz HLXREVUSQRPHIW-UHFFFAOYSA-N -1 3 392.455 3.790 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000109604807 836419767 /nfs/dbraw/zinc/41/97/67/836419767.db2.gz IFORRGWONBAUAF-JTQLQIEISA-N -1 3 381.816 3.569 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1 ZINC000052023612 844177751 /nfs/dbraw/zinc/17/77/51/844177751.db2.gz JRCDAQJSSUEXNZ-UHFFFAOYSA-N -1 3 395.546 3.763 20 0 GHADHM CC(C)(C)OCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000657133700 844204571 /nfs/dbraw/zinc/20/45/71/844204571.db2.gz IAQXXWWDHCTNGB-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015898068 836837235 /nfs/dbraw/zinc/83/72/35/836837235.db2.gz BKNKUZVRCNSKDD-DGCLKSJQSA-N -1 3 394.880 3.744 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1c(F)cccc1Cl ZINC000175861154 837036444 /nfs/dbraw/zinc/03/64/44/837036444.db2.gz MEDVCEYCWKLWIT-LRDDRELGSA-N -1 3 390.842 3.667 20 0 GHADHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000016597763 837147448 /nfs/dbraw/zinc/14/74/48/837147448.db2.gz DKGPPAIGWQICBH-UHFFFAOYSA-N -1 3 387.288 3.609 20 0 GHADHM Cc1c([N-]S(=O)(=O)CCCOCc2ccccc2)cnn1-c1ccc(C)cc1 ZINC000655586145 837211306 /nfs/dbraw/zinc/21/13/06/837211306.db2.gz MKMAYBVCXTVPJM-UHFFFAOYSA-N -1 3 399.516 3.838 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000613095706 837232683 /nfs/dbraw/zinc/23/26/83/837232683.db2.gz YQNFHINZGOOPIC-UHFFFAOYSA-N -1 3 379.428 3.828 20 0 GHADHM O=S(=O)([N-][C@H]1CC=CCC1)c1ccc(Br)cc1C(F)(F)F ZINC000605593620 837968956 /nfs/dbraw/zinc/96/89/56/837968956.db2.gz SWGITCDXCOCFNN-JTQLQIEISA-N -1 3 384.217 3.855 20 0 GHADHM CC[C@@H](c1ccccc1)N(CCCS(=O)(=O)c1ccc(F)cc1)CC(=O)[O-] ZINC000584541388 838154085 /nfs/dbraw/zinc/15/40/85/838154085.db2.gz GHCKKXQDCXOFCL-IBGZPJMESA-N -1 3 393.480 3.527 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)c[n-]c12 ZINC000155480926 838255036 /nfs/dbraw/zinc/25/50/36/838255036.db2.gz CBTJYKVBYSEDLN-UHFFFAOYSA-N -1 3 399.447 3.840 20 0 GHADHM Cc1nscc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000181988729 838311504 /nfs/dbraw/zinc/31/15/04/838311504.db2.gz YHQMBQWLTFSKKC-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM O=C(Cc1cn2ccsc2n1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589167455 838334188 /nfs/dbraw/zinc/33/41/88/838334188.db2.gz YTMHLHJJGLGCJW-UHFFFAOYSA-N -1 3 392.271 3.696 20 0 GHADHM O=C(C[C@H]1COCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000623020712 838352590 /nfs/dbraw/zinc/35/25/90/838352590.db2.gz RZPDHVPLYRQHOE-ZDUSSCGKSA-N -1 3 399.390 3.587 20 0 GHADHM CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000275707633 838453222 /nfs/dbraw/zinc/45/32/22/838453222.db2.gz NWFMESASNOZVLY-HXUWFJFHSA-N -1 3 398.528 3.806 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1ccco1 ZINC000178919635 838497132 /nfs/dbraw/zinc/49/71/32/838497132.db2.gz RDNGMNDWOZMSLT-IBGZPJMESA-N -1 3 375.421 3.636 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188095183 838530633 /nfs/dbraw/zinc/53/06/33/838530633.db2.gz AMLZCGPXDHOPRK-UHFFFAOYSA-N -1 3 381.256 3.724 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)OC(C)(C)C)c1 ZINC000610336223 838532978 /nfs/dbraw/zinc/53/29/78/838532978.db2.gz GDIUKBJPXQUIJS-UHFFFAOYSA-N -1 3 379.453 3.819 20 0 GHADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000311636522 838539277 /nfs/dbraw/zinc/53/92/77/838539277.db2.gz NZMQRROBLQJQOF-BDAKNGLRSA-N -1 3 384.748 3.665 20 0 GHADHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000311636523 838539590 /nfs/dbraw/zinc/53/95/90/838539590.db2.gz NZMQRROBLQJQOF-DTWKUNHWSA-N -1 3 384.748 3.665 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)C3(C)CC3)cs2)c1 ZINC000180140453 838560785 /nfs/dbraw/zinc/56/07/85/838560785.db2.gz CXYLBUODPIIFPA-ZDUSSCGKSA-N -1 3 387.505 3.599 20 0 GHADHM COc1ccccc1CCN(C)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659786839 838668223 /nfs/dbraw/zinc/66/82/23/838668223.db2.gz NMQFROYNUWVTQN-QGZVFWFLSA-N -1 3 378.266 3.758 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(O)cc1[O-] ZINC000182125695 838692158 /nfs/dbraw/zinc/69/21/58/838692158.db2.gz LNFBERODSMOECQ-UHFFFAOYSA-N -1 3 379.460 3.973 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)Cc2cccs2)c1 ZINC000182864051 838836197 /nfs/dbraw/zinc/83/61/97/838836197.db2.gz ILJRCLZFUBMWOP-LBPRGKRZSA-N -1 3 399.472 3.611 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCc1ccccc1F ZINC000182895595 838850202 /nfs/dbraw/zinc/85/02/02/838850202.db2.gz QUSRGFQAHDZABF-NRFANRHFSA-N -1 3 392.430 3.709 20 0 GHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213286 838923651 /nfs/dbraw/zinc/92/36/51/838923651.db2.gz RBMXLILFBWQPLU-UHFFFAOYSA-N -1 3 394.378 3.712 20 0 GHADHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CCCC1 ZINC000183419401 838983527 /nfs/dbraw/zinc/98/35/27/838983527.db2.gz IQUBRJGQEZKTAR-UHFFFAOYSA-N -1 3 387.505 3.743 20 0 GHADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000182150687 838989205 /nfs/dbraw/zinc/98/92/05/838989205.db2.gz RTJVHXOHZGPUCC-UHFFFAOYSA-N -1 3 399.906 3.576 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1nc(C)cs1 ZINC000416381478 839097918 /nfs/dbraw/zinc/09/79/18/839097918.db2.gz CEICNKNEAYJNEM-NSHDSACASA-N -1 3 390.914 3.552 20 0 GHADHM O=C1N[C@H](CC2CCCCC2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431868433 839122688 /nfs/dbraw/zinc/12/26/88/839122688.db2.gz BNNWLCWUFPBBSV-CQSZACIVSA-N -1 3 381.270 3.546 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)OC)cc2)cc1 ZINC000545366698 839315000 /nfs/dbraw/zinc/31/50/00/839315000.db2.gz YGBOXTMAYHBZRJ-OAHLLOKOSA-N -1 3 391.489 3.628 20 0 GHADHM Cc1c(Br)cccc1CS(=O)(=O)[N-]c1cnc(C(C)C)nc1 ZINC000656182809 839316348 /nfs/dbraw/zinc/31/63/48/839316348.db2.gz RFCSKVBUSHVDDS-UHFFFAOYSA-N -1 3 384.299 3.613 20 0 GHADHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cccc(Cl)c1Br ZINC000416499458 839322670 /nfs/dbraw/zinc/32/26/70/839322670.db2.gz BUILLMVHDUKVGN-UHFFFAOYSA-N -1 3 388.661 3.816 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000416598249 839477538 /nfs/dbraw/zinc/47/75/38/839477538.db2.gz UIMBXIZTPQHPIH-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C[C@H]3CCCO3)C(F)(F)F)nc2)n1 ZINC000656224579 839604154 /nfs/dbraw/zinc/60/41/54/839604154.db2.gz MYGVCHTXJVUDPY-KGLIPLIRSA-N -1 3 382.386 3.719 20 0 GHADHM COc1ccc(OC)c(CC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1 ZINC001143495822 839676347 /nfs/dbraw/zinc/67/63/47/839676347.db2.gz GZGJUNMSHWAKDE-UHFFFAOYSA-N -1 3 387.432 3.546 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)cc1C ZINC000471584730 839681722 /nfs/dbraw/zinc/68/17/22/839681722.db2.gz HLXDAXFPZRCOAT-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1OC(F)F ZINC001167413522 839695076 /nfs/dbraw/zinc/69/50/76/839695076.db2.gz INJXPSBYNDTAND-UHFFFAOYSA-N -1 3 392.333 3.838 20 0 GHADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000549295734 839878374 /nfs/dbraw/zinc/87/83/74/839878374.db2.gz ZQBABZIOAVSKPG-UHFFFAOYSA-N -1 3 380.294 3.869 20 0 GHADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000647130378 839923806 /nfs/dbraw/zinc/92/38/06/839923806.db2.gz WOVYKHWBYCXOOO-LJQANCHMSA-N -1 3 399.553 3.575 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000580705510 840036709 /nfs/dbraw/zinc/03/67/09/840036709.db2.gz XUIGWBQSDGEDBO-UHFFFAOYSA-N -1 3 376.869 3.878 20 0 GHADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000193821021 840188248 /nfs/dbraw/zinc/18/82/48/840188248.db2.gz NOESDYFRDDQJRY-UHFFFAOYSA-N -1 3 378.303 3.695 20 0 GHADHM COc1ccc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000160644578 840217912 /nfs/dbraw/zinc/21/79/12/840217912.db2.gz QEFIGDZKZRNJFL-UHFFFAOYSA-N -1 3 383.366 3.903 20 0 GHADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417024401 840380796 /nfs/dbraw/zinc/38/07/96/840380796.db2.gz QAUOJCXLNQLMBK-UHFFFAOYSA-N -1 3 396.491 3.697 20 0 GHADHM COc1ccccc1Nc1nc2sc(C(=O)[N-]c3n[nH]c(C)n3)cc2s1 ZINC000156720609 840490109 /nfs/dbraw/zinc/49/01/09/840490109.db2.gz ZQSQMVXRUIBBAS-UHFFFAOYSA-N -1 3 386.462 3.789 20 0 GHADHM COCc1ccc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000610480622 840744744 /nfs/dbraw/zinc/74/47/44/840744744.db2.gz GLQXVACQZIUJJF-UHFFFAOYSA-N -1 3 390.486 3.518 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000180970555 844572360 /nfs/dbraw/zinc/57/23/60/844572360.db2.gz WHMWTGZWOYLGRJ-NSHDSACASA-N -1 3 383.366 3.789 20 0 GHADHM O=C(NCC1CCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000026136809 840826169 /nfs/dbraw/zinc/82/61/69/840826169.db2.gz JEWLBVABTZQFFI-UHFFFAOYSA-N -1 3 396.871 3.810 20 0 GHADHM O=C(CC1CCN(Cc2cccc([O-])c2Br)CC1)NC1CCCC1 ZINC000656425273 840865361 /nfs/dbraw/zinc/86/53/61/840865361.db2.gz FVCJMUPMYPJRAR-UHFFFAOYSA-N -1 3 395.341 3.816 20 0 GHADHM CC(C)(CCNCc1csc(-c2ccc3c(c2)OCO3)n1)CCC(=O)[O-] ZINC000417562651 841012500 /nfs/dbraw/zinc/01/25/00/841012500.db2.gz JAIYQNGHYGVHTB-UHFFFAOYSA-N -1 3 376.478 3.910 20 0 GHADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1cnc(C(F)(F)F)s1 ZINC000417563719 841013475 /nfs/dbraw/zinc/01/34/75/841013475.db2.gz NTTYYMOIKASOME-NSHDSACASA-N -1 3 382.766 3.740 20 0 GHADHM O=C([O-])[C@@H](CC(F)F)NCc1cc(C(F)(F)F)ccc1Br ZINC000417595225 841044053 /nfs/dbraw/zinc/04/40/53/841044053.db2.gz NMZKAPPUFLEUPX-SECBINFHSA-N -1 3 376.119 3.666 20 0 GHADHM COc1cc(C[NH2+][C@@H]2CCCC[C@H]2CCC(=O)[O-])cc(Br)c1[O-] ZINC000417631318 841070546 /nfs/dbraw/zinc/07/05/46/841070546.db2.gz SAWOSWOPMUECRR-GXTWGEPZSA-N -1 3 386.286 3.677 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)C3CC3)c2)cc1 ZINC000636650977 841073603 /nfs/dbraw/zinc/07/36/03/841073603.db2.gz YRJVYWNIEBPEOQ-MRXNPFEDSA-N -1 3 386.517 3.975 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 ZINC000660745262 841150015 /nfs/dbraw/zinc/15/00/15/841150015.db2.gz KZYPGAWZVAJXDP-UHFFFAOYSA-N -1 3 393.369 3.584 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000651621566 841157094 /nfs/dbraw/zinc/15/70/94/841157094.db2.gz VMXXCYFDZOHAPC-MNOVXSKESA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Br)cc3cccnc32)n1 ZINC000660748421 841159142 /nfs/dbraw/zinc/15/91/42/841159142.db2.gz QWAOFRXJGRLGLI-UHFFFAOYSA-N -1 3 387.281 3.826 20 0 GHADHM CNc1nnc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)s1 ZINC000184013413 841220163 /nfs/dbraw/zinc/22/01/63/841220163.db2.gz XHSTXBYFMDNMJK-UHFFFAOYSA-N -1 3 397.485 3.743 20 0 GHADHM O=S(=O)([N-]CC1CCSCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500106788 841221065 /nfs/dbraw/zinc/22/10/65/841221065.db2.gz FHHLNAFDTZNEIV-UHFFFAOYSA-N -1 3 388.967 3.885 20 0 GHADHM Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000417903986 841254152 /nfs/dbraw/zinc/25/41/52/841254152.db2.gz SNTLBTBDNNXZQU-MRXNPFEDSA-N -1 3 390.281 3.614 20 0 GHADHM C[C@@H](F)CC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000549525214 841296410 /nfs/dbraw/zinc/29/64/10/841296410.db2.gz WZCDEJYETYOEAN-SECBINFHSA-N -1 3 393.303 3.599 20 0 GHADHM O=C([O-])[C@@H](CNCc1cn(C2CCC2)nn1)Cc1ccc(-c2ccccc2)cc1 ZINC000656564279 841425403 /nfs/dbraw/zinc/42/54/03/841425403.db2.gz HYRQHDFNDZXXND-HXUWFJFHSA-N -1 3 390.487 3.703 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(C)c(C)c3)c2)n1 ZINC000049301918 841499146 /nfs/dbraw/zinc/49/91/46/841499146.db2.gz WHQOZNKHXFSVDB-UHFFFAOYSA-N -1 3 377.444 3.634 20 0 GHADHM Cc1cc(Br)c(Cl)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000656634458 841621604 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GHADHM CC1(C)Cc2cc(C(=O)NCCCc3cc(=O)[nH][n-]3)sc2-c2ccccc21 ZINC000647717662 842184921 /nfs/dbraw/zinc/18/49/21/842184921.db2.gz NZXRFSCCNNZYLQ-UHFFFAOYSA-N -1 3 381.501 3.635 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000467016660 842189071 /nfs/dbraw/zinc/18/90/71/842189071.db2.gz XCVLGWDISADWDY-NSHDSACASA-N -1 3 386.395 3.819 20 0 GHADHM CC(C)N(C(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(C)C ZINC000007095211 842253555 /nfs/dbraw/zinc/25/35/55/842253555.db2.gz JAJSVUDETCHHAS-AWEZNQCLSA-N -1 3 399.520 3.647 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccccc1)Cc1ccccc1F)c2[O-] ZINC000511910881 842383105 /nfs/dbraw/zinc/38/31/05/842383105.db2.gz QFVCGVQYTFGDOJ-UHFFFAOYSA-N -1 3 390.418 3.656 20 0 GHADHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511917704 842405304 /nfs/dbraw/zinc/40/53/04/842405304.db2.gz WTLYOTPYHPCXFP-UHFFFAOYSA-N -1 3 386.455 3.825 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278991249 842436832 /nfs/dbraw/zinc/43/68/32/842436832.db2.gz QHOOTGAQGWLABA-QMMMGPOBSA-N -1 3 388.415 3.754 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)c1ccco1 ZINC000656938471 842467799 /nfs/dbraw/zinc/46/77/99/842467799.db2.gz LJKIEGFKVFTRAO-WOJBJXKFSA-N -1 3 393.505 3.502 20 0 GHADHM O=C([O-])[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000909392753 842498066 /nfs/dbraw/zinc/49/80/66/842498066.db2.gz MIRIQZUVRRJUQW-GOSISDBHSA-N -1 3 390.842 3.631 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1ccc(Cl)cc1F ZINC000432283887 842525623 /nfs/dbraw/zinc/52/56/23/842525623.db2.gz JSALJNCDUWBTDG-QGZVFWFLSA-N -1 3 383.872 3.661 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1sccc1Br ZINC000467720297 842527890 /nfs/dbraw/zinc/52/78/90/842527890.db2.gz MDHBPOQBGHSEIJ-UHFFFAOYSA-N -1 3 384.205 3.853 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000135332313 842559489 /nfs/dbraw/zinc/55/94/89/842559489.db2.gz QRICVKNHMXMVCA-UHFFFAOYSA-N -1 3 375.490 3.910 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000408343984 842628334 /nfs/dbraw/zinc/62/83/34/842628334.db2.gz UPISVQPVOBLQOV-ZDUSSCGKSA-N -1 3 396.413 3.602 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccn1 ZINC000657038909 842665330 /nfs/dbraw/zinc/66/53/30/842665330.db2.gz HHMMLICEZHOUSN-JTQLQIEISA-N -1 3 378.803 3.836 20 0 GHADHM CN(CC(=O)Nc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157247167 861333264 /nfs/dbraw/zinc/33/32/64/861333264.db2.gz IXRXQSQRRFELIK-UHFFFAOYSA-N -1 3 376.412 3.895 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000471828835 842749535 /nfs/dbraw/zinc/74/95/35/842749535.db2.gz XWVDTZUOANOUQR-GFCCVEGCSA-N -1 3 386.452 3.919 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000663261529 842939563 /nfs/dbraw/zinc/93/95/63/842939563.db2.gz KKDXVCLWVMWFOR-KRWDZBQOSA-N -1 3 379.382 3.616 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000471870981 843072374 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Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471918296 843496553 /nfs/dbraw/zinc/49/65/53/843496553.db2.gz IYUZTAUKDYMAHE-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM COc1cc2c(cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O)oc1ccccc12 ZINC000349274383 861423636 /nfs/dbraw/zinc/42/36/36/861423636.db2.gz GEYFFYNHQCBWST-LLVKDONJSA-N -1 3 378.306 3.972 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc2n[n-]nc21 ZINC000189703069 843562567 /nfs/dbraw/zinc/56/25/67/843562567.db2.gz VIALVTFBBIGPHE-UHFFFAOYSA-N -1 3 375.354 3.829 20 0 GHADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000603974317 843589009 /nfs/dbraw/zinc/58/90/09/843589009.db2.gz LUZDTJKZBHQVJV-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)NCc1cccs1 ZINC000843688894 843620241 /nfs/dbraw/zinc/62/02/41/843620241.db2.gz LAGMMNVIPLGISR-CQSZACIVSA-N -1 3 386.851 3.705 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)cc2)n1 ZINC000112800898 843623491 /nfs/dbraw/zinc/62/34/91/843623491.db2.gz OQIZIICQJVNOBX-IAGOWNOFSA-N -1 3 381.382 3.766 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)cc2)n1 ZINC000112800907 843623861 /nfs/dbraw/zinc/62/38/61/843623861.db2.gz OQIZIICQJVNOBX-IRXDYDNUSA-N -1 3 381.382 3.766 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1C ZINC000178399441 843683448 /nfs/dbraw/zinc/68/34/48/843683448.db2.gz OWVPPNZLBVANQI-UHFFFAOYSA-N -1 3 392.811 3.541 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000432775271 843780691 /nfs/dbraw/zinc/78/06/91/843780691.db2.gz TWPDLMFENSORCY-UHFFFAOYSA-N -1 3 376.812 3.808 20 0 GHADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2)n1 ZINC000433228478 843874873 /nfs/dbraw/zinc/87/48/73/843874873.db2.gz WUEJLIOEYZCNOQ-UHFFFAOYSA-N -1 3 394.435 3.907 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2ccc(Cl)cc2)[nH][n-]1 ZINC000512856859 843894639 /nfs/dbraw/zinc/89/46/39/843894639.db2.gz SRLZEQOHSMSABO-UHFFFAOYSA-N -1 3 392.242 3.832 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCCC4(CC4)CC3)nc(=O)c2c1C ZINC000599673801 861469596 /nfs/dbraw/zinc/46/95/96/861469596.db2.gz ZEIXOJRNPXESBV-ZDUSSCGKSA-N -1 3 389.521 3.797 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC(c2nc3ccccc3s2)C1 ZINC000500924373 843977272 /nfs/dbraw/zinc/97/72/72/843977272.db2.gz MHSBGQCNFDRIHX-UHFFFAOYSA-N -1 3 397.406 3.656 20 0 GHADHM O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc([O-])ccc1Cl ZINC000512941258 844010340 /nfs/dbraw/zinc/01/03/40/844010340.db2.gz VNRNEUAWFXHTNA-CYBMUJFWSA-N -1 3 386.604 3.811 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000432954009 844736220 /nfs/dbraw/zinc/73/62/20/844736220.db2.gz DVRMSDZPLWZXBP-PKOBYXMFSA-N -1 3 378.407 3.974 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc([C@@H]3CCCCS3)no2)cc1 ZINC000545811565 844813972 /nfs/dbraw/zinc/81/39/72/844813972.db2.gz WYRAFVACUZIIJS-HNNXBMFYSA-N -1 3 397.522 3.757 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(C)CCCC1 ZINC000731217042 861517503 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GHADHM O=S(=O)(Cc1ccccc1Cl)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481498316 861549011 /nfs/dbraw/zinc/54/90/11/861549011.db2.gz JYDIEXDUNAYPAX-AWEZNQCLSA-N -1 3 394.707 3.800 20 0 GHADHM CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C(C)C ZINC000614238655 845361220 /nfs/dbraw/zinc/36/12/20/845361220.db2.gz SKOZVVRLXYDQDH-GOSISDBHSA-N -1 3 390.867 3.837 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC000481509605 861566433 /nfs/dbraw/zinc/56/64/33/861566433.db2.gz NUYAWBLBROXFGG-UHFFFAOYSA-N -1 3 375.226 3.789 20 0 GHADHM O=C(NCCCC1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000119517576 845487822 /nfs/dbraw/zinc/48/78/22/845487822.db2.gz RNRYPVSVKQISNH-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM CC[C@@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCNC1=O ZINC000866863447 845512539 /nfs/dbraw/zinc/51/25/39/845512539.db2.gz ABSGCTGMWKUGIC-HXUWFJFHSA-N -1 3 381.457 3.524 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1OCC(F)(F)F ZINC000277286090 845550263 /nfs/dbraw/zinc/55/02/63/845550263.db2.gz MFZLBLQSJLZTHF-QGZVFWFLSA-N -1 3 399.365 3.648 20 0 GHADHM CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCCC1 ZINC000150159676 845558510 /nfs/dbraw/zinc/55/85/10/845558510.db2.gz DWMUQSHYMDKWOF-UHFFFAOYSA-N -1 3 376.453 3.689 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C(C)(C)O1 ZINC000429872241 845608966 /nfs/dbraw/zinc/60/89/66/845608966.db2.gz NLMODIITPPRCON-LBPRGKRZSA-N -1 3 396.734 3.727 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccccc2Cl)c1 ZINC000179458628 861589172 /nfs/dbraw/zinc/58/91/72/861589172.db2.gz YNFGYZWQQBPFED-UHFFFAOYSA-N -1 3 399.834 3.567 20 0 GHADHM CCCOc1ccc(C(=O)NN=Cc2cc(Cl)c([O-])c(OC)c2)cc1OC ZINC000006942167 845692782 /nfs/dbraw/zinc/69/27/82/845692782.db2.gz OZBURYIQQHDZDL-UHFFFAOYSA-N -1 3 392.839 3.616 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1c(F)cncc1F ZINC000511032598 845766684 /nfs/dbraw/zinc/76/66/84/845766684.db2.gz RRESEUORINRHNN-ZETCQYMHSA-N -1 3 384.301 3.557 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000179498678 861604206 /nfs/dbraw/zinc/60/42/06/861604206.db2.gz VSEIIGPJALJXQT-UHFFFAOYSA-N -1 3 396.466 3.990 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1ccc(Cl)cc1C(F)(F)F ZINC000431316530 845831993 /nfs/dbraw/zinc/83/19/93/845831993.db2.gz WWTXISBTHHDIPC-UHFFFAOYSA-N -1 3 391.798 3.868 20 0 GHADHM CCCCc1nc(NC(=O)C=C(C)c2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC001269124361 846186353 /nfs/dbraw/zinc/18/63/53/846186353.db2.gz SZMOGMPNDYXLCW-BUHFOSPRSA-N -1 3 385.464 3.980 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1Cl ZINC000431344813 846203114 /nfs/dbraw/zinc/20/31/14/846203114.db2.gz PANWOYBBVQORNP-UHFFFAOYSA-N -1 3 391.855 3.625 20 0 GHADHM Cn1ncc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1C(F)(F)F ZINC000614500120 846297893 /nfs/dbraw/zinc/29/78/93/846297893.db2.gz IOEMOCRCRAHBBI-UHFFFAOYSA-N -1 3 399.423 3.835 20 0 GHADHM CS[C@@H](C)Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000582137115 846459192 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Cc1nc(-c2ccc(CNC(=O)c3nnc4ccccc4c3[O-])cc2)cs1 ZINC000732259170 862177630 /nfs/dbraw/zinc/17/76/30/862177630.db2.gz NPAVUZHNZGSPEC-UHFFFAOYSA-N -1 3 376.441 3.697 20 0 GHADHM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1nnc2ccccc2c1[O-] ZINC000732263354 862179009 /nfs/dbraw/zinc/17/90/09/862179009.db2.gz OVIJDPFTGLGTCU-UHFFFAOYSA-N -1 3 381.395 3.902 20 0 GHADHM COc1cccc(Cc2cnc(NC(=O)c3nnc4ccccc4c3[O-])s2)c1 ZINC000732266140 862179030 /nfs/dbraw/zinc/17/90/30/862179030.db2.gz POOPWOLNZBDJBC-UHFFFAOYSA-N -1 3 392.440 3.644 20 0 GHADHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(C)c1OC(F)F ZINC000519355249 850963917 /nfs/dbraw/zinc/96/39/17/850963917.db2.gz PRKDUKYFZFFGGI-UHFFFAOYSA-N -1 3 384.404 3.529 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000440284007 851004406 /nfs/dbraw/zinc/00/44/06/851004406.db2.gz QANPLXZGGAOFGP-UHFFFAOYSA-N -1 3 377.462 3.608 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(Br)c1 ZINC000440299763 851020082 /nfs/dbraw/zinc/02/00/82/851020082.db2.gz 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COC(=O)c1cc(C)nc2nc(SC3CC(Oc4ccccc4)C3)[n-]c(=O)c12 ZINC000600520592 862224799 /nfs/dbraw/zinc/22/47/99/862224799.db2.gz KAWBEUTVKLYBBI-UHFFFAOYSA-N -1 3 397.456 3.528 20 0 GHADHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)ccc1Br ZINC000910703921 851336422 /nfs/dbraw/zinc/33/64/22/851336422.db2.gz KLRHGJSRRFHXSQ-INIZCTEOSA-N -1 3 395.297 3.883 20 0 GHADHM O=C(CCCc1cccs1)Nc1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000473642420 851348393 /nfs/dbraw/zinc/34/83/93/851348393.db2.gz YIZGPXMOCKKWOT-UHFFFAOYSA-N -1 3 395.484 3.740 20 0 GHADHM Cc1sc([C@@H]2CCCN2C(=O)c2cccc(CN3CCCC3)c2)nc1C(=O)[O-] ZINC000910719608 851363426 /nfs/dbraw/zinc/36/34/26/851363426.db2.gz BZMGPEUGNXJKHJ-KRWDZBQOSA-N -1 3 399.516 3.723 20 0 GHADHM Cc1ccc(N2CCC(C(=O)Nc3cc(Br)ccc3[O-])CC2)nc1 ZINC000176186741 862235061 /nfs/dbraw/zinc/23/50/61/862235061.db2.gz PPKFYIAHEQEHRX-UHFFFAOYSA-N -1 3 390.281 3.713 20 0 GHADHM COCCCn1c(=O)[n-]nc1SCc1nc(-c2ccc(C)cc2)cs1 ZINC000505461519 851415661 /nfs/dbraw/zinc/41/56/61/851415661.db2.gz KWYNODAJCUVBAZ-UHFFFAOYSA-N -1 3 376.507 3.744 20 0 GHADHM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc(CN2CCCC2)c1 ZINC000473663851 851531936 /nfs/dbraw/zinc/53/19/36/851531936.db2.gz SBJHQSMYIKTEAS-UHFFFAOYSA-N -1 3 382.414 3.625 20 0 GHADHM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000911085665 851579666 /nfs/dbraw/zinc/57/96/66/851579666.db2.gz XULKTRSOUNDZAG-QGZVFWFLSA-N -1 3 399.466 3.806 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430110872 851588968 /nfs/dbraw/zinc/58/89/68/851588968.db2.gz LIWPGMGUCFVFPP-HNNXBMFYSA-N -1 3 380.286 3.585 20 0 GHADHM CCOc1ccccc1CCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049302064 851648083 /nfs/dbraw/zinc/64/80/83/851648083.db2.gz LBJLEKJPLGYMPZ-UHFFFAOYSA-N -1 3 391.471 3.969 20 0 GHADHM Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000911271700 851656098 /nfs/dbraw/zinc/65/60/98/851656098.db2.gz IVDAYDOZIDNCNQ-UHFFFAOYSA-N -1 3 398.381 3.509 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)N2CCCC2)cc1 ZINC000911296755 851670932 /nfs/dbraw/zinc/67/09/32/851670932.db2.gz QGVABUOECHXMDU-LJQANCHMSA-N -1 3 386.879 3.914 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000488657162 851689684 /nfs/dbraw/zinc/68/96/84/851689684.db2.gz HBCOXYGVRVPXNR-LIRRHRJNSA-N -1 3 388.261 3.511 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CCN1Cc1ccccc1 ZINC000911500105 851761575 /nfs/dbraw/zinc/76/15/75/851761575.db2.gz FDHOEURVJOVNCX-OAHLLOKOSA-N -1 3 386.879 3.775 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000911545204 851779993 /nfs/dbraw/zinc/77/99/93/851779993.db2.gz HCNCGZPMVRNPLU-DOXZYTNZSA-N -1 3 386.517 3.673 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000488852798 851826840 /nfs/dbraw/zinc/82/68/40/851826840.db2.gz DFGCEEWTPYFGSG-UHFFFAOYSA-N -1 3 390.402 3.649 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000488987101 851908572 /nfs/dbraw/zinc/90/85/72/851908572.db2.gz RRGPDGFRDBQCOU-CYBMUJFWSA-N -1 3 383.370 3.810 20 0 GHADHM O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436499428 851975742 /nfs/dbraw/zinc/97/57/42/851975742.db2.gz ZUTJDSAJOKHGGM-UHFFFAOYSA-N -1 3 385.851 3.706 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(Cc4ccc(F)cc4)CC3)cc2)n1 ZINC000438045298 851978125 /nfs/dbraw/zinc/97/81/25/851978125.db2.gz AZYMOOPEALVNEX-UHFFFAOYSA-N -1 3 377.419 3.846 20 0 GHADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000111994810 852015050 /nfs/dbraw/zinc/01/50/50/852015050.db2.gz IOFRRGIDALYUAP-AWEZNQCLSA-N -1 3 380.897 3.534 20 0 GHADHM CCOc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1 ZINC000436525213 852016057 /nfs/dbraw/zinc/01/60/57/852016057.db2.gz AARZNGYCVRSSNR-UHFFFAOYSA-N -1 3 397.475 3.526 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)c1[O-] ZINC000436533120 852025679 /nfs/dbraw/zinc/02/56/79/852025679.db2.gz MBLPOGXBIKLTCJ-UHFFFAOYSA-N -1 3 393.321 3.651 20 0 GHADHM COc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c([O-])c1 ZINC000436536628 852027980 /nfs/dbraw/zinc/02/79/80/852027980.db2.gz DOMFJYYDDXWBRS-FQEVSTJZSA-N -1 3 376.412 3.511 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c([O-])c1 ZINC000436536629 852028222 /nfs/dbraw/zinc/02/82/22/852028222.db2.gz DOMFJYYDDXWBRS-HXUWFJFHSA-N -1 3 376.412 3.511 20 0 GHADHM CNC(=O)c1ccc(OC)c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436559694 852063303 /nfs/dbraw/zinc/06/33/03/852063303.db2.gz BEAQBWJJAWMFJI-UHFFFAOYSA-N -1 3 392.411 3.805 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)c1 ZINC000436569878 852072009 /nfs/dbraw/zinc/07/20/09/852072009.db2.gz JURCUWBPZDYBIN-SECBINFHSA-N -1 3 395.228 3.743 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(O[C@H]2CCOC2)CC1 ZINC000436569373 852072479 /nfs/dbraw/zinc/07/24/79/852072479.db2.gz CZDTZSKRIQLISL-NRFANRHFSA-N -1 3 395.499 3.588 20 0 GHADHM C[C@@H](c1cccc(Br)c1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000517531614 852081140 /nfs/dbraw/zinc/08/11/40/852081140.db2.gz DRGCNKSMZXRCBF-MLMJSJRWSA-N -1 3 381.295 3.832 20 0 GHADHM CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(C)cc2[O-])ccn1 ZINC000436578597 852086638 /nfs/dbraw/zinc/08/66/38/852086638.db2.gz RPTRSTWELSBGHN-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436599676 852089908 /nfs/dbraw/zinc/08/99/08/852089908.db2.gz YJRDFZNPUZSJSZ-LJQANCHMSA-N -1 3 381.472 3.593 20 0 GHADHM COc1ccc(C(=O)N2CCc3cc(Br)cc(F)c3C2)c([O-])c1 ZINC000436609882 852109472 /nfs/dbraw/zinc/10/94/72/852109472.db2.gz WULAPBLMJCCXIF-UHFFFAOYSA-N -1 3 380.213 3.501 20 0 GHADHM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ncccc2[O-])c2ccccc2)cc1 ZINC000517565588 852120517 /nfs/dbraw/zinc/12/05/17/852120517.db2.gz GMSHYZGJAGVGQS-GOSISDBHSA-N -1 3 375.428 3.596 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436631910 852126164 /nfs/dbraw/zinc/12/61/64/852126164.db2.gz XPMKUFGAPRWDTR-FQEVSTJZSA-N -1 3 398.478 3.617 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1c([O-])cccc1O ZINC000436648851 852158590 /nfs/dbraw/zinc/15/85/90/852158590.db2.gz SAAUYZFDXZDIIZ-UHFFFAOYSA-N -1 3 396.270 3.883 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c([O-])c1 ZINC000436663227 852160482 /nfs/dbraw/zinc/16/04/82/852160482.db2.gz DYWUEVVVGHIPQJ-ZDUSSCGKSA-N -1 3 394.393 3.717 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc(CCc3ccccc3)o2)no1 ZINC000436667311 852164965 /nfs/dbraw/zinc/16/49/65/852164965.db2.gz SUWGDBCSYINKMQ-UHFFFAOYSA-N -1 3 380.429 3.903 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)c(F)c3)no2)ccc1F ZINC000517627329 852169787 /nfs/dbraw/zinc/16/97/87/852169787.db2.gz GNCRFVZQQCSEHL-UHFFFAOYSA-N -1 3 397.378 3.508 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1[O-] ZINC000436659797 852178070 /nfs/dbraw/zinc/17/80/70/852178070.db2.gz AYJWINOZRZEZRF-UHFFFAOYSA-N -1 3 378.400 3.657 20 0 GHADHM COc1ccc(CCN(Cc2ccccc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000436660510 852178548 /nfs/dbraw/zinc/17/85/48/852178548.db2.gz VPPQMQSZHAVBSZ-UHFFFAOYSA-N -1 3 377.440 3.992 20 0 GHADHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c([O-])c1 ZINC000436676557 852183024 /nfs/dbraw/zinc/18/30/24/852183024.db2.gz QUZSUASPAHMANH-UHFFFAOYSA-N -1 3 389.883 3.532 20 0 GHADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436678141 852184203 /nfs/dbraw/zinc/18/42/03/852184203.db2.gz BDBIJPWTWMSWJR-CYBMUJFWSA-N -1 3 382.460 3.886 20 0 GHADHM CC(=O)N1CCCc2cc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc21 ZINC000436678417 852186619 /nfs/dbraw/zinc/18/66/19/852186619.db2.gz BUVCCJWFZZPATA-UHFFFAOYSA-N -1 3 380.444 3.657 20 0 GHADHM CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436692993 852202432 /nfs/dbraw/zinc/20/24/32/852202432.db2.gz ZPTOLXSFXIUGQL-HNNXBMFYSA-N -1 3 397.431 3.731 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436709634 852204440 /nfs/dbraw/zinc/20/44/40/852204440.db2.gz YTKFWXNFWPBZFS-MRXNPFEDSA-N -1 3 397.475 3.559 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000112266019 852209930 /nfs/dbraw/zinc/20/99/30/852209930.db2.gz CNKMFOKNMXEXSB-UHFFFAOYSA-N -1 3 376.659 3.912 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000436697964 852211604 /nfs/dbraw/zinc/21/16/04/852211604.db2.gz MNEJSZHPMVHTLH-UHFFFAOYSA-N -1 3 380.488 3.672 20 0 GHADHM C[S@@](=O)Cc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436714822 852236671 /nfs/dbraw/zinc/23/66/71/852236671.db2.gz VGZPRDOSFFQJNJ-MUUNZHRXSA-N -1 3 393.508 3.792 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)c1cc(F)cc(Br)c1[O-])c1ccco1 ZINC000436716355 852240739 /nfs/dbraw/zinc/24/07/39/852240739.db2.gz TUXYICCLGDPFMF-QMTHXVAHSA-N -1 3 399.260 3.746 20 0 GHADHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436739558 852257212 /nfs/dbraw/zinc/25/72/12/852257212.db2.gz WOUHVAMMTAKHLT-AWEZNQCLSA-N -1 3 375.490 3.800 20 0 GHADHM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436745511 852267133 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C[C@@H]1CCc2nc(CN[C@@H](Cc3c(F)cccc3Cl)C(=O)[O-])sc2C1 ZINC000426753905 852359451 /nfs/dbraw/zinc/35/94/51/852359451.db2.gz LVZIVIVDORHPDA-BMIGLBTASA-N -1 3 382.888 3.846 20 0 GHADHM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436838433 852403798 /nfs/dbraw/zinc/40/37/98/852403798.db2.gz QWBNBDZQNWLDGA-OLZOCXBDSA-N -1 3 395.484 3.899 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)c(F)c2)cc1 ZINC000436841651 852406976 /nfs/dbraw/zinc/40/69/76/852406976.db2.gz WCGLDFIENRFBJB-UHFFFAOYSA-N -1 3 392.430 3.667 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436847279 852411843 /nfs/dbraw/zinc/41/18/43/852411843.db2.gz PQSPKLNGYAPEDQ-AWEZNQCLSA-N -1 3 394.393 3.810 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC(F)F ZINC000426829772 852417376 /nfs/dbraw/zinc/41/73/76/852417376.db2.gz RNAYUJGCKSYROJ-KRWDZBQOSA-N -1 3 399.365 3.750 20 0 GHADHM CCc1ccc([C@H](NCc2cc(Br)c(O)c(OC)c2)C(=O)[O-])cc1 ZINC000426815775 852425973 /nfs/dbraw/zinc/42/59/73/852425973.db2.gz HDCWIWPWSUYAPK-INIZCTEOSA-N -1 3 394.265 3.641 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc(CC(C)C)no2)c1[O-] ZINC000436897023 852482954 /nfs/dbraw/zinc/48/29/54/852482954.db2.gz PQDSKLSPQKVZAJ-UHFFFAOYSA-N -1 3 391.427 3.745 20 0 GHADHM CN(C)C(=O)COc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000436920070 852500523 /nfs/dbraw/zinc/50/05/23/852500523.db2.gz QDJOAULUFLESFM-UHFFFAOYSA-N -1 3 389.411 3.729 20 0 GHADHM [O-]c1ccccc1-c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000436920204 852500558 /nfs/dbraw/zinc/50/05/58/852500558.db2.gz QXUQUVFEFATHCD-UHFFFAOYSA-N -1 3 375.178 3.524 20 0 GHADHM COc1cncc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436934382 852516687 /nfs/dbraw/zinc/51/66/87/852516687.db2.gz SLWCEQPFFWVRDK-UHFFFAOYSA-N -1 3 378.413 3.720 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000436962192 852532377 /nfs/dbraw/zinc/53/23/77/852532377.db2.gz IYCQBVXHBAJIQI-YVEFUNNKSA-N -1 3 385.464 3.886 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3ncccc3Cl)CC2)c([O-])c1 ZINC000436970875 852552796 /nfs/dbraw/zinc/55/27/96/852552796.db2.gz HBQWRAXYQLPRHJ-UHFFFAOYSA-N -1 3 389.883 3.582 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)c([O-])c1 ZINC000436972295 852554071 /nfs/dbraw/zinc/55/40/71/852554071.db2.gz NVCAXKYYOVZQRN-IAGOWNOFSA-N -1 3 390.524 3.728 20 0 GHADHM CCCC1(CNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)CC1 ZINC000436976350 852561326 /nfs/dbraw/zinc/56/13/26/852561326.db2.gz BURYBPCBNAFMHO-UHFFFAOYSA-N -1 3 387.505 3.648 20 0 GHADHM CCSc1cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)ccn1 ZINC000426062055 852562176 /nfs/dbraw/zinc/56/21/76/852562176.db2.gz WJASUVZBFFFHJU-UHFFFAOYSA-N -1 3 395.488 3.986 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(CCC(F)(F)F)cc2)c([O-])c1 ZINC000436975852 852562597 /nfs/dbraw/zinc/56/25/97/852562597.db2.gz NMGSSOUIJBIUJX-UHFFFAOYSA-N -1 3 394.393 3.954 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436980621 852569247 /nfs/dbraw/zinc/56/92/47/852569247.db2.gz NXWDDRYSFAVZBF-VQIMIIECSA-N -1 3 398.890 3.666 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c([O-])c1 ZINC000436969584 852574519 /nfs/dbraw/zinc/57/45/19/852574519.db2.gz ZCMFOGZMHKORGB-SFHVURJKSA-N -1 3 393.443 3.779 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436989946 852579134 /nfs/dbraw/zinc/57/91/34/852579134.db2.gz PVBGPOHGMNHSPV-CZUORRHYSA-N -1 3 387.505 3.647 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)c([O-])c1 ZINC000436983512 852592149 /nfs/dbraw/zinc/59/21/49/852592149.db2.gz CMRZNXWGHJYJNG-OAQYLSRUSA-N -1 3 385.460 3.793 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)cc2)sc1Cl ZINC000473852715 852596088 /nfs/dbraw/zinc/59/60/88/852596088.db2.gz JQNNUYYHXGLNME-LBPRGKRZSA-N -1 3 381.910 3.935 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1CCCN2)c1ccc(F)cc1C(F)(F)F ZINC000489982968 852706309 /nfs/dbraw/zinc/70/63/09/852706309.db2.gz ZYTKDXHEHINYLJ-UHFFFAOYSA-N -1 3 388.386 3.681 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000507272752 852740772 /nfs/dbraw/zinc/74/07/72/852740772.db2.gz MVWJFMYXUQZALO-HIFRSBDPSA-N -1 3 382.888 3.593 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000518052353 852770976 /nfs/dbraw/zinc/77/09/76/852770976.db2.gz ZOLDBDHXFAENOA-UHFFFAOYSA-N -1 3 382.215 3.629 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000427138188 852778910 /nfs/dbraw/zinc/77/89/10/852778910.db2.gz VSJIHIJPECKZQH-SECBINFHSA-N -1 3 390.852 3.517 20 0 GHADHM CN(Cc1ccc(Br)c(F)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000426137621 852809258 /nfs/dbraw/zinc/80/92/58/852809258.db2.gz FZAKRWWSIAOAFP-UHFFFAOYSA-N -1 3 385.208 3.775 20 0 GHADHM COc1ccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCCC2)cc1 ZINC000438787597 852854187 /nfs/dbraw/zinc/85/41/87/852854187.db2.gz FBGZGKKKDIQQQZ-QGZVFWFLSA-N -1 3 390.430 3.636 20 0 GHADHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1OC ZINC000473858147 852922018 /nfs/dbraw/zinc/92/20/18/852922018.db2.gz PXICHZSXJDOAQN-NSHDSACASA-N -1 3 389.926 3.637 20 0 GHADHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000507493828 852957024 /nfs/dbraw/zinc/95/70/24/852957024.db2.gz VDTLIARBKPZTIZ-GFCCVEGCSA-N -1 3 387.473 3.680 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1C ZINC000518169455 853008598 /nfs/dbraw/zinc/00/85/98/853008598.db2.gz AHVFXFYICLBCQL-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507528687 853013164 /nfs/dbraw/zinc/01/31/64/853013164.db2.gz HMNZNHQXCDXQPT-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000506038667 853037876 /nfs/dbraw/zinc/03/78/76/853037876.db2.gz OWOROJBQPWSKQO-UHFFFAOYSA-N -1 3 380.345 3.867 20 0 GHADHM O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000438899525 853076427 /nfs/dbraw/zinc/07/64/27/853076427.db2.gz YRSNAZZBIJEXCQ-AWEZNQCLSA-N -1 3 399.497 3.821 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc(OC)c1[O-] ZINC000507688542 853167386 /nfs/dbraw/zinc/16/73/86/853167386.db2.gz CBYUUMSCOXUFAM-SECBINFHSA-N -1 3 398.228 3.802 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3csc(Br)c3)nc2)n1 ZINC000518318450 853197172 /nfs/dbraw/zinc/19/71/72/853197172.db2.gz YIGHUJOWYWVUBO-UHFFFAOYSA-N -1 3 391.294 3.665 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000913302133 853224689 /nfs/dbraw/zinc/22/46/89/853224689.db2.gz OQCBWIZHUCGZGC-SWLSCSKDSA-N -1 3 385.445 3.640 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000913302133 853224700 /nfs/dbraw/zinc/22/47/00/853224700.db2.gz OQCBWIZHUCGZGC-SWLSCSKDSA-N -1 3 385.445 3.640 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000481870414 862450458 /nfs/dbraw/zinc/45/04/58/862450458.db2.gz FYGICDPUIXYZPG-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000481870414 862450464 /nfs/dbraw/zinc/45/04/64/862450464.db2.gz FYGICDPUIXYZPG-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439127815 853321982 /nfs/dbraw/zinc/32/19/82/853321982.db2.gz LEFBMXZUHZZUEC-KRWDZBQOSA-N -1 3 391.471 3.837 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000490929910 853355803 /nfs/dbraw/zinc/35/58/03/853355803.db2.gz ZQVNDXNADWADHR-MRXNPFEDSA-N -1 3 380.366 3.817 20 0 GHADHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)[C@@H](C)C(C)C ZINC000518441772 853364329 /nfs/dbraw/zinc/36/43/29/853364329.db2.gz OYXYWSNNXWXTGN-AWEZNQCLSA-N -1 3 389.521 3.845 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000437691602 853422467 /nfs/dbraw/zinc/42/24/67/853422467.db2.gz ALJMIWMNWXSQSU-BEFAXECRSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000437691603 853422821 /nfs/dbraw/zinc/42/28/21/853422821.db2.gz ALJMIWMNWXSQSU-DNVCBOLYSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3nc4ccccc4o3)cc2)cc(=O)[n-]1 ZINC000519737108 853431342 /nfs/dbraw/zinc/43/13/42/853431342.db2.gz QNHPHGHKYXEKHJ-UHFFFAOYSA-N -1 3 389.415 3.663 20 0 GHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000437702433 853438926 /nfs/dbraw/zinc/43/89/26/853438926.db2.gz ICXJWXPILGTQSO-SECBINFHSA-N -1 3 386.764 3.913 20 0 GHADHM Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156308060 853495774 /nfs/dbraw/zinc/49/57/74/853495774.db2.gz TZMHAIBZQAYTNJ-UHFFFAOYSA-N -1 3 383.375 3.754 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1Cl ZINC000481883663 862477985 /nfs/dbraw/zinc/47/79/85/862477985.db2.gz RGBCREPROKDCEP-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](CCO)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000440725025 853572351 /nfs/dbraw/zinc/57/23/51/853572351.db2.gz ABPCEGXWGJMKGO-FQEVSTJZSA-N -1 3 392.459 3.745 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c(Cl)c1 ZINC000517258374 853579776 /nfs/dbraw/zinc/57/97/76/853579776.db2.gz FCUQLYBYFLRSQF-AWEZNQCLSA-N -1 3 397.777 3.912 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1OC ZINC000054984338 853624536 /nfs/dbraw/zinc/62/45/36/853624536.db2.gz RSRUTILVJRYQNQ-CYBMUJFWSA-N -1 3 393.534 3.504 20 0 GHADHM O=C(Nc1cccc(N2CCCCC2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000055368236 853802357 /nfs/dbraw/zinc/80/23/57/853802357.db2.gz SSUPVXVULRDCNW-HXUWFJFHSA-N -1 3 393.487 3.626 20 0 GHADHM COc1cc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1[O-] ZINC000188162259 853806353 /nfs/dbraw/zinc/80/63/53/853806353.db2.gz HBKJGMUWLHKYEI-UHFFFAOYSA-N -1 3 395.377 3.890 20 0 GHADHM Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2=O)cc1 ZINC000440992111 853810720 /nfs/dbraw/zinc/81/07/20/853810720.db2.gz OPCAYLQUXHQJSD-AWEZNQCLSA-N -1 3 392.377 3.707 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1Br ZINC000188237620 853871175 /nfs/dbraw/zinc/87/11/75/853871175.db2.gz ZGZVVIAKQVEWBC-UHFFFAOYSA-N -1 3 397.294 3.825 20 0 GHADHM CCc1nnc([C@@H](C)N[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[nH]1 ZINC000623925688 862530950 /nfs/dbraw/zinc/53/09/50/862530950.db2.gz LWMSYLAWOYTFGT-HUUCEWRRSA-N -1 3 399.520 3.580 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000520351564 854120254 /nfs/dbraw/zinc/12/02/54/854120254.db2.gz KEONOPDYIZCSCE-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000520351564 854120257 /nfs/dbraw/zinc/12/02/57/854120257.db2.gz KEONOPDYIZCSCE-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(C)c1 ZINC000520410879 854182232 /nfs/dbraw/zinc/18/22/32/854182232.db2.gz JBYQDLACZLOFSK-IBGZPJMESA-N -1 3 382.460 3.733 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000481956617 862550971 /nfs/dbraw/zinc/55/09/71/862550971.db2.gz ITSMIVMTXXSUOG-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000760699086 854359650 /nfs/dbraw/zinc/35/96/50/854359650.db2.gz KUOAPQMICKBZEQ-QGZVFWFLSA-N -1 3 391.254 3.688 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473936676 854368482 /nfs/dbraw/zinc/36/84/82/854368482.db2.gz KMBQSXJYKKBPEC-ABAIWWIYSA-N -1 3 389.926 3.773 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c(=O)[n-]1 ZINC000113076330 854368952 /nfs/dbraw/zinc/36/89/52/854368952.db2.gz VJIRZGMNWCJSOM-LJQANCHMSA-N -1 3 375.900 3.828 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)N[N-]C(=O)c1ccccc1F ZINC000045259349 854473590 /nfs/dbraw/zinc/47/35/90/854473590.db2.gz FZEHNVJTBNTDCQ-UHFFFAOYSA-N -1 3 397.381 3.901 20 0 GHADHM CCCCn1ccnc1-c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000654911540 854553157 /nfs/dbraw/zinc/55/31/57/854553157.db2.gz BHPGKNFOIMEABO-UHFFFAOYSA-N -1 3 377.448 3.976 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000588886969 854575670 /nfs/dbraw/zinc/57/56/70/854575670.db2.gz IPFNBCILYNZJQH-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cc(OC)c(OC)cc3C)nc2)n1 ZINC000068666016 854607555 /nfs/dbraw/zinc/60/75/55/854607555.db2.gz LLQAUDKIEJYMPF-AWEZNQCLSA-N -1 3 394.475 3.893 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166429 854711522 /nfs/dbraw/zinc/71/15/22/854711522.db2.gz CTWHBNODOODTKD-VIFPVBQESA-N -1 3 392.290 3.898 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1C1CC1)c1cc(F)ccc1Br ZINC001212158297 854850904 /nfs/dbraw/zinc/85/09/04/854850904.db2.gz PCRAOXDJWWCXOR-WCQYABFASA-N -1 3 376.291 3.693 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCCC(C)(C)c3ccccc3)c(=O)c2c(OC)c1 ZINC000624590704 854928497 /nfs/dbraw/zinc/92/84/97/854928497.db2.gz HHIVVBZLJQMOGH-UHFFFAOYSA-N -1 3 394.471 3.643 20 0 GHADHM CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)CC(C)C ZINC001212406750 855091577 /nfs/dbraw/zinc/09/15/77/855091577.db2.gz FCTFWBABUNEDRH-LBPRGKRZSA-N -1 3 381.947 3.604 20 0 GHADHM CCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000589692987 855109719 /nfs/dbraw/zinc/10/97/19/855109719.db2.gz OKVRRBXXHAWHSH-CYBMUJFWSA-N -1 3 394.393 3.751 20 0 GHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482049858 862642766 /nfs/dbraw/zinc/64/27/66/862642766.db2.gz OGFUPZBTRHQHTG-AWEZNQCLSA-N -1 3 379.302 3.951 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c(C)c1C ZINC000604971358 862648821 /nfs/dbraw/zinc/64/88/21/862648821.db2.gz AXDWUPKCNPNGIX-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C4CC4)CC3)nc(=O)c2c1C ZINC000590006694 855222515 /nfs/dbraw/zinc/22/25/15/855222515.db2.gz OGVLILHLNJCCRY-GFCCVEGCSA-N -1 3 389.521 3.653 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c([O-])c1 ZINC000190243065 855302843 /nfs/dbraw/zinc/30/28/43/855302843.db2.gz RLPQOIOYPSFQOQ-INIZCTEOSA-N -1 3 390.524 3.584 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000130882555 855345327 /nfs/dbraw/zinc/34/53/27/855345327.db2.gz WESGQNGJRLLMOL-VHSXEESVSA-N -1 3 399.818 3.526 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1Cl ZINC000055633022 855362955 /nfs/dbraw/zinc/36/29/55/855362955.db2.gz KXJSXGXUCVMOKU-UHFFFAOYSA-N -1 3 398.868 3.507 20 0 GHADHM Cc1ccc(F)c(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482079616 862676234 /nfs/dbraw/zinc/67/62/34/862676234.db2.gz RYYUWYVUIJCJHO-UHFFFAOYSA-N -1 3 391.244 3.630 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(OCc2ccccc2)c1)c1ccc(Cl)s1 ZINC000056060874 855463440 /nfs/dbraw/zinc/46/34/40/855463440.db2.gz CEEPJFZGKPBMPI-UHFFFAOYSA-N -1 3 394.905 3.854 20 0 GHADHM O=C(NCCc1ccc(Cl)cc1)NCc1ccc([O-])c(Br)c1 ZINC000482093653 862689371 /nfs/dbraw/zinc/68/93/71/862689371.db2.gz JKFWZTXNWOJNIR-UHFFFAOYSA-N -1 3 383.673 3.850 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)CC2)cc1Cl ZINC000190664789 855628640 /nfs/dbraw/zinc/62/86/40/855628640.db2.gz OOWBSUCABPOMFT-PWSUYJOCSA-N -1 3 376.881 3.685 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)s2)s1 ZINC000134952117 855735802 /nfs/dbraw/zinc/73/58/02/855735802.db2.gz LAGVZLBOJQZAFM-QMMMGPOBSA-N -1 3 381.342 3.623 20 0 GHADHM O=C(CCc1nnc(-c2ccccc2)o1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178991956 855851242 /nfs/dbraw/zinc/85/12/42/855851242.db2.gz XTESBTPKICUVLH-UHFFFAOYSA-N -1 3 391.349 3.936 20 0 GHADHM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000573123152 855853271 /nfs/dbraw/zinc/85/32/71/855853271.db2.gz BEOIWIMZYJSNDL-NRFANRHFSA-N -1 3 380.488 3.902 20 0 GHADHM CSC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000573183450 855915480 /nfs/dbraw/zinc/91/54/80/855915480.db2.gz GIZKAPJCMUWPIM-UHFFFAOYSA-N -1 3 382.913 3.508 20 0 GHADHM CCCCNC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660659 856003545 /nfs/dbraw/zinc/00/35/45/856003545.db2.gz CZDYSWXTMPYDPC-NSHDSACASA-N -1 3 391.518 3.955 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436686809 856065753 /nfs/dbraw/zinc/06/57/53/856065753.db2.gz GDXKKZIAOOMHDL-UHFFFAOYSA-N -1 3 387.819 3.509 20 0 GHADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485092682 856099787 /nfs/dbraw/zinc/09/97/87/856099787.db2.gz MEPMHOHKSBYBTN-CYBMUJFWSA-N -1 3 390.399 3.731 20 0 GHADHM COc1ccccc1SCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485130380 856128694 /nfs/dbraw/zinc/12/86/94/856128694.db2.gz SOQMPEIKCYZJIQ-UHFFFAOYSA-N -1 3 380.429 3.957 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccnc2SCc2cc(C)on2)c1[O-] ZINC000568789787 856131988 /nfs/dbraw/zinc/13/19/88/856131988.db2.gz RIASGQPJHTVXBM-UHFFFAOYSA-N -1 3 383.429 3.831 20 0 GHADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485144625 856142042 /nfs/dbraw/zinc/14/20/42/856142042.db2.gz UHYZJICIXGLQIW-UHFFFAOYSA-N -1 3 389.371 3.956 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000181135618 862766598 /nfs/dbraw/zinc/76/65/98/862766598.db2.gz PHZCKQOUTNVXRC-FQEVSTJZSA-N -1 3 381.451 3.966 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)c([O-])c1 ZINC000031934664 856196977 /nfs/dbraw/zinc/19/69/77/856196977.db2.gz BKPNFZXCZOVKQB-SNVBAGLBSA-N -1 3 380.238 3.663 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000032084847 856208341 /nfs/dbraw/zinc/20/83/41/856208341.db2.gz VBPBAABFEKSTAK-UHFFFAOYSA-N -1 3 387.505 3.970 20 0 GHADHM C[C@@H](CCNCc1cc(Cl)ccc1I)CC(=O)[O-] ZINC000405225154 856224580 /nfs/dbraw/zinc/22/45/80/856224580.db2.gz SEWBTJIKQQMDRZ-VIFPVBQESA-N -1 3 381.641 3.535 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000109294840 856271919 /nfs/dbraw/zinc/27/19/19/856271919.db2.gz DFAZZGQDSYLWES-DEOSSOPVSA-N -1 3 397.478 3.988 20 0 GHADHM CCOc1ccccc1OCCN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000905400927 856302072 /nfs/dbraw/zinc/30/20/72/856302072.db2.gz OROMKKJOEAXFMU-QGZVFWFLSA-N -1 3 394.265 3.642 20 0 GHADHM CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000520744924 856312431 /nfs/dbraw/zinc/31/24/31/856312431.db2.gz FAEWMHINBQRXMJ-CQSZACIVSA-N -1 3 377.282 3.989 20 0 GHADHM CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCCCCCC(=O)[O-])CC1 ZINC000417768739 856340984 /nfs/dbraw/zinc/34/09/84/856340984.db2.gz AFSODOZKXOHLOJ-UHFFFAOYSA-N -1 3 397.903 3.580 20 0 GHADHM O=c1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)[n-]c2ccsc21 ZINC000011402383 856447462 /nfs/dbraw/zinc/44/74/62/856447462.db2.gz MQRDHWATEUAYTC-UHFFFAOYSA-N -1 3 383.473 3.658 20 0 GHADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000138311455 856480232 /nfs/dbraw/zinc/48/02/32/856480232.db2.gz ODAXNEFAVUNVIQ-OKILXGFUSA-N -1 3 376.453 3.640 20 0 GHADHM Cc1nn(-c2ccc(C)cc2)cc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905748732 856501959 /nfs/dbraw/zinc/50/19/59/856501959.db2.gz HZXNYDGPRNGHGS-OAHLLOKOSA-N -1 3 382.489 3.633 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1)C(=O)[O-] ZINC000905774582 856584260 /nfs/dbraw/zinc/58/42/60/856584260.db2.gz JFDAZHKWVCYYNY-GAJHUEQPSA-N -1 3 379.456 3.979 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ccc(C(F)F)c(F)c2)[n-]1 ZINC000895132841 856608786 /nfs/dbraw/zinc/60/87/86/856608786.db2.gz YXCRPHXVTAUDKB-CQSZACIVSA-N -1 3 384.402 3.935 20 0 GHADHM Cc1cc(Br)cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000507885456 856625944 /nfs/dbraw/zinc/62/59/44/856625944.db2.gz DHUHLNZBFFIWEX-UHFFFAOYSA-N -1 3 387.299 3.985 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427753194 856667935 /nfs/dbraw/zinc/66/79/35/856667935.db2.gz OYLZGRKMZZRXEK-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427753194 856667939 /nfs/dbraw/zinc/66/79/39/856667939.db2.gz OYLZGRKMZZRXEK-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3cccc(Br)c3)no1)OCO2 ZINC000436888171 856670113 /nfs/dbraw/zinc/67/01/13/856670113.db2.gz QPSPJZBVNVOSPB-UHFFFAOYSA-N -1 3 375.178 3.524 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1)c1ccco1 ZINC000427811038 856753648 /nfs/dbraw/zinc/75/36/48/856753648.db2.gz KLHCARIPHGGICA-IBGZPJMESA-N -1 3 375.421 3.804 20 0 GHADHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000672183499 856799736 /nfs/dbraw/zinc/79/97/36/856799736.db2.gz SRKBVJZUXUIPSX-SJKOYZFVSA-N -1 3 381.350 3.976 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000508020920 856820793 /nfs/dbraw/zinc/82/07/93/856820793.db2.gz BMZKVFWPXQMDDU-OAHLLOKOSA-N -1 3 391.411 3.991 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111650763 856968305 /nfs/dbraw/zinc/96/83/05/856968305.db2.gz SPJZJJZQZARYNB-LPHOPBHVSA-N -1 3 398.890 3.666 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Cl)cc1C(F)(F)F ZINC000129234883 857103530 /nfs/dbraw/zinc/10/35/30/857103530.db2.gz PAGZDSJWNAJMOA-RTXFEEFZSA-N -1 3 383.819 3.595 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2ccc(OCC(C)C)cc2)[nH][n-]1 ZINC000592862564 857113245 /nfs/dbraw/zinc/11/32/45/857113245.db2.gz NYAVHVJRAPVCTP-UHFFFAOYSA-N -1 3 379.460 3.723 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000057301153 857185705 /nfs/dbraw/zinc/18/57/05/857185705.db2.gz GCIJMZMTFDZCIQ-UONOGXRCSA-N -1 3 378.469 3.791 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)[C@H]1CC1(C)C ZINC000428204359 857202724 /nfs/dbraw/zinc/20/27/24/857202724.db2.gz ZBJACHJHUKPHPM-SFHVURJKSA-N -1 3 390.480 3.805 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000485948382 857241933 /nfs/dbraw/zinc/24/19/33/857241933.db2.gz ACSXOUMYCDJVDS-CYBMUJFWSA-N -1 3 393.814 3.973 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnc(C(C)C)nc1C ZINC001128994408 857297144 /nfs/dbraw/zinc/29/71/44/857297144.db2.gz GIRGJWGEKFHVAX-UHFFFAOYSA-N -1 3 394.431 3.992 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)c2ccccc2C)cc1OC ZINC000058820851 857367611 /nfs/dbraw/zinc/36/76/11/857367611.db2.gz HABSXBYDODJSER-UHFFFAOYSA-N -1 3 390.505 3.682 20 0 GHADHM COc1ccc(N(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1F ZINC000906971211 857401681 /nfs/dbraw/zinc/40/16/81/857401681.db2.gz IIYWFOFRODTEHI-UHFFFAOYSA-N -1 3 381.429 3.914 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)s1 ZINC000906980888 857413310 /nfs/dbraw/zinc/41/33/10/857413310.db2.gz ZPSYSSXYPMUIEU-GFCCVEGCSA-N -1 3 395.506 3.765 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)[C@@H]1CCOC1 ZINC000656628591 857423083 /nfs/dbraw/zinc/42/30/83/857423083.db2.gz PLPSEIFVWIPOEG-CXAGYDPISA-N -1 3 383.897 3.595 20 0 GHADHM O=C(OCc1cccc2ccccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000058721296 857448219 /nfs/dbraw/zinc/44/82/19/857448219.db2.gz ZEJUKVZELYRNDF-FQEVSTJZSA-N -1 3 375.424 3.893 20 0 GHADHM O=c1[n-]c(CSc2nncn2-c2ccccc2)nc2c3ccccc3oc21 ZINC000061126137 857498180 /nfs/dbraw/zinc/49/81/80/857498180.db2.gz GXUOEPDULKELAM-UHFFFAOYSA-N -1 3 375.413 3.955 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000485953927 857518862 /nfs/dbraw/zinc/51/88/62/857518862.db2.gz LSVSTNKDTKCBQP-LBPRGKRZSA-N -1 3 398.328 3.725 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CCc3ccc(Br)cc3F)n[n-]2)o1 ZINC000675708439 857571603 /nfs/dbraw/zinc/57/16/03/857571603.db2.gz SCFWBVWXNUABKT-UHFFFAOYSA-N -1 3 393.216 3.846 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)s1 ZINC000907303227 857577952 /nfs/dbraw/zinc/57/79/52/857577952.db2.gz MRUPAFCXYRWOMS-AWEZNQCLSA-N -1 3 388.493 3.590 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1COc2c1cccc2Cl ZINC000675827192 857627679 /nfs/dbraw/zinc/62/76/79/857627679.db2.gz MXGOGHNNGVACEP-CYBMUJFWSA-N -1 3 397.656 3.741 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)c3c[nH]c4ccccc43)nc21 ZINC000486303972 857639830 /nfs/dbraw/zinc/63/98/30/857639830.db2.gz HVMNYOWFDVNESW-LBPRGKRZSA-N -1 3 376.416 3.963 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(OC3COC3)cc2)s1 ZINC000907595161 857701904 /nfs/dbraw/zinc/70/19/04/857701904.db2.gz OHGLJQAFJMOGQF-UHFFFAOYSA-N -1 3 391.449 3.520 20 0 GHADHM O=C(Nc1nnc(SCc2ccccc2)s1)c1c[n-]c2ccccc2c1=O ZINC000065044386 857767130 /nfs/dbraw/zinc/76/71/30/857767130.db2.gz RPPQXUKKZKFPSO-UHFFFAOYSA-N -1 3 394.481 3.924 20 0 GHADHM CCN(CC)[C@H](CNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccsc1 ZINC000907797529 857784032 /nfs/dbraw/zinc/78/40/32/857784032.db2.gz CZBJEMOAXXOFGD-DBXWQHBBSA-N -1 3 386.517 3.506 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCCC(=O)OC(C)(C)C)cc2)n1 ZINC000593968436 857834408 /nfs/dbraw/zinc/83/44/08/857834408.db2.gz LLFMXMVHUQVJSC-UHFFFAOYSA-N -1 3 385.464 3.586 20 0 GHADHM Cc1ccccc1CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000521356877 857898624 /nfs/dbraw/zinc/89/86/24/857898624.db2.gz AICSAZKMKZPKIM-UHFFFAOYSA-N -1 3 385.261 3.871 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n[nH]1 ZINC000486638628 857929896 /nfs/dbraw/zinc/92/98/96/857929896.db2.gz SDTPAJJHZVHQCZ-WCBMZHEXSA-N -1 3 391.324 3.973 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)on1 ZINC001129230374 857940124 /nfs/dbraw/zinc/94/01/24/857940124.db2.gz NLBDCQYLYTXNKZ-UHFFFAOYSA-N -1 3 396.186 3.984 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)cc3OC(F)F)cc2)n1 ZINC000486666434 857961433 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O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1Br ZINC000121120159 858984647 /nfs/dbraw/zinc/98/46/47/858984647.db2.gz JUVZSCDLUCLCMF-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000596713881 859027091 /nfs/dbraw/zinc/02/70/91/859027091.db2.gz GASOWRVFCYLVEQ-UHFFFAOYSA-N -1 3 390.900 3.785 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1Cl ZINC000094127438 859029936 /nfs/dbraw/zinc/02/99/36/859029936.db2.gz SUMIRZCUHDMBPC-UHFFFAOYSA-N -1 3 396.830 3.976 20 0 GHADHM Cc1ccc([C@H](C)c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000544571644 859040867 /nfs/dbraw/zinc/04/08/67/859040867.db2.gz REEONLGDWILZMA-JKSUJKDBSA-N -1 3 385.489 3.878 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC(C4CCCC4)CC3)c(=O)c2c(OC)c1 ZINC000625875361 859063761 /nfs/dbraw/zinc/06/37/61/859063761.db2.gz SFQVKCMKHIYUGA-UHFFFAOYSA-N -1 3 384.476 3.588 20 0 GHADHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Br)c2C)c1 ZINC000187105675 859085973 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CSc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000466353049 859206545 /nfs/dbraw/zinc/20/65/45/859206545.db2.gz KULGTRBCVIBCFG-UHFFFAOYSA-N -1 3 377.466 3.843 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000509381086 859244393 /nfs/dbraw/zinc/24/43/93/859244393.db2.gz ZVVQRBCEQOUQER-UHFFFAOYSA-N -1 3 386.473 3.693 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923467109 859335764 /nfs/dbraw/zinc/33/57/64/859335764.db2.gz MPQYOLLHCITHTM-QPPBQGQZSA-N -1 3 394.515 3.663 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cccc(-n2cncn2)c1 ZINC000522411356 859375862 /nfs/dbraw/zinc/37/58/62/859375862.db2.gz OIBHOVIKMVUPKL-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000195701668 859398731 /nfs/dbraw/zinc/39/87/31/859398731.db2.gz CZLRLWXHAFGKIK-UHFFFAOYSA-N -1 3 376.412 3.930 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000543365242 859405185 /nfs/dbraw/zinc/40/51/85/859405185.db2.gz FUCDFGWYBQOYDS-SFHVURJKSA-N -1 3 386.496 3.866 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000626059301 859429705 /nfs/dbraw/zinc/42/97/05/859429705.db2.gz KHFIKLMCVXNMME-HXUWFJFHSA-N -1 3 388.467 3.888 20 0 GHADHM C[C@@H](N(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)(C)C ZINC000483555448 859457913 /nfs/dbraw/zinc/45/79/13/859457913.db2.gz HAPNIBYISAZCNG-GFCCVEGCSA-N -1 3 383.418 3.970 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1F ZINC000543690041 859463054 /nfs/dbraw/zinc/46/30/54/859463054.db2.gz UPAWNRHITXJQOH-UKRRQHHQSA-N -1 3 387.835 3.817 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000474180009 859544507 /nfs/dbraw/zinc/54/45/07/859544507.db2.gz VDKOWJJADAXSCR-LJQANCHMSA-N -1 3 387.457 3.525 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])oc2c1c(C)ccc2C ZINC000673502467 859624363 /nfs/dbraw/zinc/62/43/63/859624363.db2.gz CWWKFCOAAQTWNR-HIFRSBDPSA-N -1 3 395.459 3.852 20 0 GHADHM C[C@H](NC(=O)c1sccc1-c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508843 859632353 /nfs/dbraw/zinc/63/23/53/859632353.db2.gz XIMJFSOOYRYBPF-KBPBESRZSA-N -1 3 395.484 3.909 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000480963618 859757209 /nfs/dbraw/zinc/75/72/09/859757209.db2.gz PFOOECJDLHJRPM-UHFFFAOYSA-N -1 3 384.301 3.598 20 0 GHADHM O=[S@](Cc1nc(-c2ccc(Br)s2)no1)c1ccc([O-])cc1 ZINC000114629354 859780082 /nfs/dbraw/zinc/78/00/82/859780082.db2.gz QHTVZMQUXBDIFH-NRFANRHFSA-N -1 3 385.264 3.574 20 0 GHADHM O=c1[n-]c(CN(Cc2ccccc2)C[C@@H]2CCCO2)nc2c3ccccc3oc21 ZINC000052865939 859822059 /nfs/dbraw/zinc/82/20/59/859822059.db2.gz WCTXUVFQLRFTMF-KRWDZBQOSA-N -1 3 389.455 3.851 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000765227064 859855649 /nfs/dbraw/zinc/85/56/49/859855649.db2.gz INSPQKXVCIHADX-APPDUMDISA-N -1 3 395.427 3.810 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000484204105 859876671 /nfs/dbraw/zinc/87/66/71/859876671.db2.gz SZODRLLADPPMKQ-UHFFFAOYSA-N -1 3 384.382 3.564 20 0 GHADHM O=C(Nc1ccsc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000118677869 859897319 /nfs/dbraw/zinc/89/73/19/859897319.db2.gz PAHVJLRNTIJCNS-UHFFFAOYSA-N -1 3 376.434 3.940 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccco1 ZINC000474378189 859963717 /nfs/dbraw/zinc/96/37/17/859963717.db2.gz YVHBTMVJZYXSEW-GFCCVEGCSA-N -1 3 375.277 3.534 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2C[C@@H]1C ZINC000011177178 859963944 /nfs/dbraw/zinc/96/39/44/859963944.db2.gz XCQSVXCYJNRNIS-JTQLQIEISA-N -1 3 382.844 3.577 20 0 GHADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1cc(Br)ccc1Br ZINC000096731379 859972207 /nfs/dbraw/zinc/97/22/07/859972207.db2.gz ZRHBEVOSRPLFQD-SNVBAGLBSA-N -1 3 395.116 3.599 20 0 GHADHM Cc1ccc(C[C@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])cc1C ZINC000904020139 860030466 /nfs/dbraw/zinc/03/04/66/860030466.db2.gz DDFOMBRUQZCWJW-HNNXBMFYSA-N -1 3 397.700 3.900 20 0 GHADHM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436557607 860076080 /nfs/dbraw/zinc/07/60/80/860076080.db2.gz SABQHQGAQFNYRS-UHFFFAOYSA-N -1 3 396.443 3.744 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](c4ccccc4F)C3)cc(=O)oc2cc1[O-] ZINC000727435041 860076593 /nfs/dbraw/zinc/07/65/93/860076593.db2.gz MQFMADANWLEQBY-NRFANRHFSA-N -1 3 383.419 3.774 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000525925570 860134835 /nfs/dbraw/zinc/13/48/35/860134835.db2.gz FZZWTLUEENBMMH-UHFFFAOYSA-N -1 3 398.846 3.966 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000526890748 860162443 /nfs/dbraw/zinc/16/24/43/860162443.db2.gz ZEUUHUCWURNWIM-NRFANRHFSA-N -1 3 388.467 3.509 20 0 GHADHM O=C(NC1(c2ccccc2)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602759282 860247283 /nfs/dbraw/zinc/24/72/83/860247283.db2.gz ICUQGEFGOBXEID-UHFFFAOYSA-N -1 3 383.245 3.710 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@H](C[C@@H]3CCOC3)c3ccccc3)o2)CC1 ZINC000904226151 860250554 /nfs/dbraw/zinc/25/05/54/860250554.db2.gz RPRQVUWHGQCYLX-LAUBAEHRSA-N -1 3 398.503 3.838 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904227518 860252493 /nfs/dbraw/zinc/25/24/93/860252493.db2.gz DDURTZMABGXFCJ-XOBRGWDASA-N -1 3 390.455 3.586 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCOc3ccc(Cl)c(F)c3)o2)CC1 ZINC000904244150 860261341 /nfs/dbraw/zinc/26/13/41/860261341.db2.gz KNDOWTYPADAZGW-UHFFFAOYSA-N -1 3 396.846 3.542 20 0 GHADHM O=C(NCCCc1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000474542091 860327838 /nfs/dbraw/zinc/32/78/38/860327838.db2.gz POCSAAXWBKKISW-UHFFFAOYSA-N -1 3 381.245 3.726 20 0 GHADHM Cc1cc(Br)ccc1CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000765633170 860357461 /nfs/dbraw/zinc/35/74/61/860357461.db2.gz CUQFGAMIJZXZLF-UHFFFAOYSA-N -1 3 392.297 3.957 20 0 GHADHM COC(=O)COc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000024957761 860363953 /nfs/dbraw/zinc/36/39/53/860363953.db2.gz ZYHOPEVLSJYCSW-UHFFFAOYSA-N -1 3 391.489 3.581 20 0 GHADHM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436567429 860365312 /nfs/dbraw/zinc/36/53/12/860365312.db2.gz OCDUEYONQYGZPQ-QGZVFWFLSA-N -1 3 391.427 3.804 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000474574584 860370494 /nfs/dbraw/zinc/37/04/94/860370494.db2.gz JMIPLWJZOFPZQZ-LRDDRELGSA-N -1 3 387.332 3.963 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000054223294 860431522 /nfs/dbraw/zinc/43/15/22/860431522.db2.gz GCGQFLNKWBLLNC-BBRMVZONSA-N -1 3 394.500 3.563 20 0 GHADHM CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000904597610 860526130 /nfs/dbraw/zinc/52/61/30/860526130.db2.gz IYNDIRSGACRCPI-UHFFFAOYSA-N -1 3 389.814 3.824 20 0 GHADHM COc1cc(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000474668477 860599237 /nfs/dbraw/zinc/59/92/37/860599237.db2.gz BUUPNBKTANOBPA-OALUTQOASA-N -1 3 385.460 3.523 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293731 881577142 /nfs/dbraw/zinc/57/71/42/881577142.db2.gz WOFHYHFNXJSOTL-WCQYABFASA-N -1 3 386.805 3.931 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c1Cl ZINC000603506042 860776652 /nfs/dbraw/zinc/77/66/52/860776652.db2.gz DMKNAJAATNHPQG-OAHLLOKOSA-N -1 3 386.300 3.894 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000625050881 860788423 /nfs/dbraw/zinc/78/84/23/860788423.db2.gz BFDQCKIUQMTAJP-UHFFFAOYSA-N -1 3 377.350 3.734 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCc1ccccc1 ZINC000017356099 860944205 /nfs/dbraw/zinc/94/42/05/860944205.db2.gz DHVSPVFNAQQHQJ-UHFFFAOYSA-N -1 3 398.459 3.865 20 0 GHADHM Cc1cccc(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000176629914 860989354 /nfs/dbraw/zinc/98/93/54/860989354.db2.gz VPNLLGKDBORIHN-UHFFFAOYSA-N -1 3 386.879 3.774 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H]3OCc3ccccc3)nc2)n1 ZINC000152564782 881616458 /nfs/dbraw/zinc/61/64/58/881616458.db2.gz SEGWFVHLUDWNMG-WOJBJXKFSA-N -1 3 390.487 3.944 20 0 GHADHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000730572921 861178533 /nfs/dbraw/zinc/17/85/33/861178533.db2.gz QPMQVLVTNOJWMV-LLVKDONJSA-N -1 3 382.894 3.966 20 0 GHADHM CCOC(=O)C=Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000764020251 863128219 /nfs/dbraw/zinc/12/82/19/863128219.db2.gz SUKOTQWVFYCLGZ-RMKNXTFCSA-N -1 3 394.402 3.804 20 0 GHADHM CCCc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnn1-c1cccc(C)c1 ZINC000444017684 863159240 /nfs/dbraw/zinc/15/92/40/863159240.db2.gz AKGKAASZVGGEIT-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM CCCc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnn1-c1cccc(C)c1 ZINC000444017684 863159244 /nfs/dbraw/zinc/15/92/44/863159244.db2.gz AKGKAASZVGGEIT-UHFFFAOYSA-N -1 3 378.358 3.522 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1ccc(C(F)(F)F)nc1 ZINC000444031862 863177949 /nfs/dbraw/zinc/17/79/49/863177949.db2.gz ITEKOWZXEWXPRC-UHFFFAOYSA-N -1 3 399.438 3.887 20 0 GHADHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2ccccc2SC)cc1OC ZINC000444067958 863276439 /nfs/dbraw/zinc/27/64/39/863276439.db2.gz BCEVDCDTSPZHFS-LLVKDONJSA-N -1 3 385.482 3.604 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1csc(Nc2ccccn2)n1 ZINC000605876552 863288609 /nfs/dbraw/zinc/28/86/09/863288609.db2.gz BZTHUXPVMOPVCT-UHFFFAOYSA-N -1 3 396.863 3.999 20 0 GHADHM O=C(CCCc1ccc(Cl)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281868736 863437908 /nfs/dbraw/zinc/43/79/08/863437908.db2.gz ZFLLLPSXYFWSQT-UHFFFAOYSA-N -1 3 390.833 3.580 20 0 GHADHM Cc1ccc(-n2ccnc2SCC(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000606536906 863695483 /nfs/dbraw/zinc/69/54/83/863695483.db2.gz YAUFCAAPFKIMBC-UHFFFAOYSA-N -1 3 385.464 3.742 20 0 GHADHM Cn1cc(CN[C@@H](CSCc2cccc3ccccc32)C(=O)[O-])c(Cl)n1 ZINC000856721249 881686655 /nfs/dbraw/zinc/68/66/55/881686655.db2.gz FMASVHYDZNXMCV-KRWDZBQOSA-N -1 3 389.908 3.703 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000606827466 863861534 /nfs/dbraw/zinc/86/15/34/863861534.db2.gz XVKXWURDUZSELC-IBGZPJMESA-N -1 3 375.490 3.854 20 0 GHADHM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000172740156 863922164 /nfs/dbraw/zinc/92/21/64/863922164.db2.gz TXVLHASMGCOEPS-UHFFFAOYSA-N -1 3 395.528 3.897 20 0 GHADHM O=C(NC1CCN(CC(F)F)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000607055115 864016615 /nfs/dbraw/zinc/01/66/15/864016615.db2.gz BWNVEGXSQDIYSA-UHFFFAOYSA-N -1 3 376.403 3.644 20 0 GHADHM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000898541641 864130459 /nfs/dbraw/zinc/13/04/59/864130459.db2.gz NSSMNUFPNJGWFI-KUHUBIRLSA-N -1 3 387.407 3.548 20 0 GHADHM O=C(CCC1CCCC1)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621481136 864216416 /nfs/dbraw/zinc/21/64/16/864216416.db2.gz GAGTWBRPBZHKSI-UHFFFAOYSA-N -1 3 398.425 3.666 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000607385997 864329765 /nfs/dbraw/zinc/32/97/65/864329765.db2.gz OVJYCBRAQDUCHH-GFCCVEGCSA-N -1 3 397.233 3.507 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1 ZINC000621776215 864418970 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GHADHM Cc1sc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1ccc(C)cc1 ZINC000166219175 864724715 /nfs/dbraw/zinc/72/47/15/864724715.db2.gz UDHSWEWASZNLNA-UHFFFAOYSA-N -1 3 382.489 3.698 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Oc3cccnc3)cc1)OCO2 ZINC000554690855 864725820 /nfs/dbraw/zinc/72/58/20/864725820.db2.gz WLJUUGGOEHRNMW-UHFFFAOYSA-N -1 3 384.413 3.712 20 0 GHADHM Cn1ncc2c1nc(SCC(=O)N(c1ccccc1)C1CCCCC1)[n-]c2=O ZINC000629218132 864771368 /nfs/dbraw/zinc/77/13/68/864771368.db2.gz VYZOOPUSXQRKSS-UHFFFAOYSA-N -1 3 397.504 3.527 20 0 GHADHM COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000608111300 864989562 /nfs/dbraw/zinc/98/95/62/864989562.db2.gz VOKAQOBCOBNJLH-UHFFFAOYSA-N -1 3 388.221 3.806 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000735926424 865052872 /nfs/dbraw/zinc/05/28/72/865052872.db2.gz FTLFDICOBYUJFL-UHFFFAOYSA-N -1 3 383.322 3.649 20 0 GHADHM C[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1cccs1 ZINC000736025066 865117390 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20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000456338902 866451889 /nfs/dbraw/zinc/45/18/89/866451889.db2.gz OMRLFDKYSUVQRT-CQSZACIVSA-N -1 3 376.859 3.779 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(N)=O ZINC000478670024 866468008 /nfs/dbraw/zinc/46/80/08/866468008.db2.gz AFIQOSIOXXNWCO-UHFFFAOYSA-N -1 3 390.505 3.671 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1F ZINC000478705454 866509212 /nfs/dbraw/zinc/50/92/12/866509212.db2.gz RPXWPTWVVASGOM-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM Cn1cc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)nn1 ZINC000741471473 866534203 /nfs/dbraw/zinc/53/42/03/866534203.db2.gz MUCKRMAZUXGNAJ-YHYXMXQVSA-N -1 3 375.866 3.991 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000553026156 866646445 /nfs/dbraw/zinc/64/64/45/866646445.db2.gz CXJGWOVPHDDYQA-HNNXBMFYSA-N -1 3 388.265 3.799 20 0 GHADHM CC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000478896258 866837992 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867896371 /nfs/dbraw/zinc/89/63/71/867896371.db2.gz GRZAJKHFWDTBFU-UHFFFAOYSA-N -1 3 385.471 3.692 20 0 GHADHM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000620908448 867980044 /nfs/dbraw/zinc/98/00/44/867980044.db2.gz COOMVPWXRNHSTF-INIZCTEOSA-N -1 3 387.483 3.584 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCCc2ccccc2C1 ZINC000535029678 867994198 /nfs/dbraw/zinc/99/41/98/867994198.db2.gz NKMFUPDJLNKLLV-UHFFFAOYSA-N -1 3 397.272 3.879 20 0 GHADHM Cc1ccc(F)c(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000445227390 868018887 /nfs/dbraw/zinc/01/88/87/868018887.db2.gz WHEQXQMEVXGSCO-UHFFFAOYSA-N -1 3 381.245 3.944 20 0 GHADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000743259292 868029352 /nfs/dbraw/zinc/02/93/52/868029352.db2.gz VIJJVNODYRJYAX-UHFFFAOYSA-N -1 3 387.436 3.651 20 0 GHADHM COCCC1(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCCC1 ZINC000640297115 882156845 /nfs/dbraw/zinc/15/68/45/882156845.db2.gz VWCDYTQCVTWFBY-UHFFFAOYSA-N -1 3 396.841 3.629 20 0 GHADHM 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Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@@H](C)NC(=O)C3CCCCC3)c2)n1 ZINC000744217816 868672823 /nfs/dbraw/zinc/67/28/23/868672823.db2.gz ZGDIDNIFHVFFFV-OAHLLOKOSA-N -1 3 397.475 3.538 20 0 GHADHM CCOCCOc1ccccc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744219025 868674033 /nfs/dbraw/zinc/67/40/33/868674033.db2.gz YAVXLUGRORBLGQ-UHFFFAOYSA-N -1 3 394.427 3.792 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432670 882219027 /nfs/dbraw/zinc/21/90/27/882219027.db2.gz DPDFMYNFVWCJDD-LLVKDONJSA-N -1 3 396.196 3.970 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCC[C@H]3CNC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000744287555 868717159 /nfs/dbraw/zinc/71/71/59/868717159.db2.gz ZGYRPDGMJCFKCR-BBRMVZONSA-N -1 3 389.452 3.828 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCC[C@H]3CNC(=O)OC(C)(C)C)[n-]n2)o1 ZINC000744287555 868717166 /nfs/dbraw/zinc/71/71/66/868717166.db2.gz ZGYRPDGMJCFKCR-BBRMVZONSA-N -1 3 389.452 3.828 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433017 882221408 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CCOC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c([O-])c1 ZINC000535538956 868938037 /nfs/dbraw/zinc/93/80/37/868938037.db2.gz RANDDPFROXIGEG-UHFFFAOYSA-N -1 3 397.406 3.763 20 0 GHADHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000503834489 868970606 /nfs/dbraw/zinc/97/06/06/868970606.db2.gz VYWAWFWUQNJLHS-UHFFFAOYSA-N -1 3 379.881 3.660 20 0 GHADHM CC(C)c1ccc(-c2nc(CC(=O)NCc3ccc(F)cc3F)no2)c([O-])c1 ZINC000445827655 869040015 /nfs/dbraw/zinc/04/00/15/869040015.db2.gz QHUJUKXUFCILLH-UHFFFAOYSA-N -1 3 387.386 3.703 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000190726724 882255764 /nfs/dbraw/zinc/25/57/64/882255764.db2.gz HHDMLGQBJNMZDH-CQSZACIVSA-N -1 3 376.250 3.597 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC(F)(F)C(F)F ZINC000744738056 869059563 /nfs/dbraw/zinc/05/95/63/869059563.db2.gz UGRUYVICGSIMFT-HNNXBMFYSA-N -1 3 399.340 3.697 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(F)ccc1OC(C)C)c2=O ZINC000539447125 869151961 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O=S(=O)([N-]CCc1ccco1)c1ccc(Br)cc1C(F)(F)F ZINC000546598605 869231662 /nfs/dbraw/zinc/23/16/62/869231662.db2.gz QOIFYWOFGNSZNB-UHFFFAOYSA-N -1 3 398.200 3.582 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1ccncc1 ZINC000121874280 882277484 /nfs/dbraw/zinc/27/74/84/882277484.db2.gz BXMOHYDDPMZWQG-CQSZACIVSA-N -1 3 390.486 3.513 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000537638334 882281795 /nfs/dbraw/zinc/28/17/95/882281795.db2.gz PGZDOCVFKDCNEK-UHFFFAOYSA-N -1 3 388.423 3.856 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(C)(C)c1ccccc1 ZINC000462362061 869312896 /nfs/dbraw/zinc/31/28/96/869312896.db2.gz VRQUYODTLRVXMT-OAHLLOKOSA-N -1 3 381.519 3.569 20 0 GHADHM O=C(NCc1ccc(OC(F)F)cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857496103 882298931 /nfs/dbraw/zinc/29/89/31/882298931.db2.gz LJULNUZYXHVSMM-UHFFFAOYSA-N -1 3 384.382 3.909 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000640298889 882309348 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GHADHM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)c2)n1 ZINC000539112084 871329750 /nfs/dbraw/zinc/32/97/50/871329750.db2.gz PBXAYBYWBMRJLM-UHFFFAOYSA-N -1 3 387.461 3.941 20 0 GHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C)c2ccccc21)c1ccccc1 ZINC001193880517 871338927 /nfs/dbraw/zinc/33/89/27/871338927.db2.gz PTVCGMVGOXGYTK-NRFANRHFSA-N -1 3 383.469 3.515 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447275117 871342555 /nfs/dbraw/zinc/34/25/55/871342555.db2.gz QSDAIPRXHVZHSQ-UHFFFAOYSA-N -1 3 379.331 3.513 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2c(F)cccc2Cl)c1 ZINC000525773127 871412773 /nfs/dbraw/zinc/41/27/73/871412773.db2.gz JLANOMDXSRGRMF-UHFFFAOYSA-N -1 3 378.831 3.851 20 0 GHADHM CC(C)(C)OC1CC(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640301517 882509640 /nfs/dbraw/zinc/50/96/40/882509640.db2.gz JHDXHLMUANDFEP-UHFFFAOYSA-N -1 3 396.841 3.626 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOc3cc(F)ccc3C2)s1 ZINC001169352405 871442982 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20 0 GHADHM COc1c(Br)cc(Cl)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775605178 871794585 /nfs/dbraw/zinc/79/45/85/871794585.db2.gz YKSNCUFIQCNMTJ-LLVKDONJSA-N -1 3 379.638 3.691 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775605178 871794592 /nfs/dbraw/zinc/79/45/92/871794592.db2.gz YKSNCUFIQCNMTJ-LLVKDONJSA-N -1 3 379.638 3.691 20 0 GHADHM O=C(N[C@H](CC(=O)N1CCC[C@H](CCF)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000618694875 871863482 /nfs/dbraw/zinc/86/34/82/871863482.db2.gz BLBUAZDVGCRXJW-DYESRHJHSA-N -1 3 398.478 3.852 20 0 GHADHM Cc1cccnc1OC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC001169833283 871902064 /nfs/dbraw/zinc/90/20/64/871902064.db2.gz MSSYMFKYZOKTRA-UHFFFAOYSA-N -1 3 376.460 3.596 20 0 GHADHM COc1c(NC(=O)c2cc([O-])ccc2Cl)cc(Cl)cc1C(=O)N(C)C ZINC000552044041 871925005 /nfs/dbraw/zinc/92/50/05/871925005.db2.gz MXPHNWAWHFYIPG-UHFFFAOYSA-N -1 3 383.231 3.662 20 0 GHADHM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000526033319 871936188 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GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H]3C[C@H]32)c(F)cc1Br ZINC001194917475 872031451 /nfs/dbraw/zinc/03/14/51/872031451.db2.gz QJCNONWYGMOZLM-SRVKXCTJSA-N -1 3 376.291 3.611 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000618861782 872060915 /nfs/dbraw/zinc/06/09/15/872060915.db2.gz NZBSPIMMCFGCNN-QGZVFWFLSA-N -1 3 376.453 3.545 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nccnc32)c(Br)c1 ZINC001194980659 872082578 /nfs/dbraw/zinc/08/25/78/872082578.db2.gz HFDAUFFUGBLXTA-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3sccc3C(C)C)c2)[n-]1 ZINC000447679108 872085071 /nfs/dbraw/zinc/08/50/71/872085071.db2.gz MUEUSOMVLRJYFV-UHFFFAOYSA-N -1 3 398.488 3.763 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3sccc3C(C)C)c2)n[n-]1 ZINC000447679108 872085094 /nfs/dbraw/zinc/08/50/94/872085094.db2.gz MUEUSOMVLRJYFV-UHFFFAOYSA-N -1 3 398.488 3.763 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)c2ccccc12 ZINC000182262197 872099263 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COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C1CCCC1)C1CCCC1 ZINC001195175630 872234930 /nfs/dbraw/zinc/23/49/30/872234930.db2.gz XFPAYBONQQOCEI-UHFFFAOYSA-N -1 3 383.485 3.640 20 0 GHADHM CC(C)N1CC[C@H](NC(=O)c2cncc([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540823103 872255361 /nfs/dbraw/zinc/25/53/61/872255361.db2.gz XTQKBPBDXVYYEY-ROUUACIJSA-N -1 3 377.847 3.534 20 0 GHADHM O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccc2c(c1[O-])CCCC2 ZINC000526944448 872309195 /nfs/dbraw/zinc/30/91/95/872309195.db2.gz XMGOOEFEUSTYBO-UHFFFAOYSA-N -1 3 378.428 3.567 20 0 GHADHM Cc1ccc([O-])c(C(=O)NC2(c3ccccc3C(F)(F)F)CCOCC2)n1 ZINC001195332436 872355396 /nfs/dbraw/zinc/35/53/96/872355396.db2.gz TZWPBLILGNSNLM-UHFFFAOYSA-N -1 3 380.366 3.550 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3cc(F)ccc3c2)c(C)cc1O ZINC001195379268 872378804 /nfs/dbraw/zinc/37/88/04/872378804.db2.gz XEMCLPYCGMSIEI-UHFFFAOYSA-N -1 3 389.404 3.580 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCCc1ccccc1)c1ccccc1 ZINC001195395684 872389365 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O=C(Nc1cc(I)ccc1[O-])c1cc2[nH]ccc2s1 ZINC000619441311 872631072 /nfs/dbraw/zinc/63/10/72/872631072.db2.gz VQXHHLGTRFMJPH-UHFFFAOYSA-N -1 3 384.198 3.792 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(C)nc2Sc2ccccc2)[n-]1 ZINC000619449320 872636905 /nfs/dbraw/zinc/63/69/05/872636905.db2.gz BEGQCLHQTLTTHQ-UHFFFAOYSA-N -1 3 382.445 3.693 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(C)nc2Sc2ccccc2)c[n-]1 ZINC000619449320 872636909 /nfs/dbraw/zinc/63/69/09/872636909.db2.gz BEGQCLHQTLTTHQ-UHFFFAOYSA-N -1 3 382.445 3.693 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2c(C)cc(C)cc2C)sc1Cl ZINC000191839176 882635636 /nfs/dbraw/zinc/63/56/36/882635636.db2.gz LNOYOAPSSVYKPY-UHFFFAOYSA-N -1 3 386.926 3.552 20 0 GHADHM CN1CCO[C@H]([C@H](NCc2cccc(Cl)c2[O-])c2ccc(Cl)cc2)C1 ZINC000182675671 872665365 /nfs/dbraw/zinc/66/53/65/872665365.db2.gz NVSTWTDGJVJBDJ-ZWKOTPCHSA-N -1 3 381.303 3.861 20 0 GHADHM O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cccc2n[n-]nc21 ZINC000527106059 872666140 /nfs/dbraw/zinc/66/61/40/872666140.db2.gz YFABRPKAIFXFFI-UHFFFAOYSA-N -1 3 387.230 3.762 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1C(F)(F)F ZINC001195803074 872674929 /nfs/dbraw/zinc/67/49/29/872674929.db2.gz WOGWOVIVCOJRTB-UHFFFAOYSA-N -1 3 375.368 3.999 20 0 GHADHM CC(C)Oc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1C(F)(F)F ZINC001195803074 872674932 /nfs/dbraw/zinc/67/49/32/872674932.db2.gz WOGWOVIVCOJRTB-UHFFFAOYSA-N -1 3 375.368 3.999 20 0 GHADHM Cc1cc(Cl)cc(Br)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195803323 872675302 /nfs/dbraw/zinc/67/53/02/872675302.db2.gz YRLASLGCSMSZRV-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129373551 872693002 /nfs/dbraw/zinc/69/30/02/872693002.db2.gz SZZDOFBZNRPURX-XLIONFOSSA-N -1 3 398.469 3.809 20 0 GHADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cc(F)cc(Br)c1 ZINC000527114819 872694928 /nfs/dbraw/zinc/69/49/28/872694928.db2.gz KLOBCHVBKUGJKF-CYBMUJFWSA-N -1 3 377.217 3.741 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1cc(I)ccc1[O-])c1cccnc1 ZINC000619552626 872732313 /nfs/dbraw/zinc/73/23/13/872732313.db2.gz XUIQLQUNZNLALF-OAHLLOKOSA-N -1 3 396.228 3.770 20 0 GHADHM CC(C)NC(=O)NC1(C(=O)Nc2ccc(Br)cc2[O-])CCCCC1 ZINC000527156476 872739925 /nfs/dbraw/zinc/73/99/25/872739925.db2.gz BLKJUDJVBJXTIS-UHFFFAOYSA-N -1 3 398.301 3.504 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000775675596 872779867 /nfs/dbraw/zinc/77/98/67/872779867.db2.gz YZTSSAOXBBFEON-HXUWFJFHSA-N -1 3 393.447 3.573 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000775675596 872779877 /nfs/dbraw/zinc/77/98/77/872779877.db2.gz YZTSSAOXBBFEON-HXUWFJFHSA-N -1 3 393.447 3.573 20 0 GHADHM CCN(CC1CCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000478284725 872802208 /nfs/dbraw/zinc/80/22/08/872802208.db2.gz USQKWTHYSVIAKV-UHFFFAOYSA-N -1 3 390.480 3.889 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)CCC2CCCCC2)CC[C@@H](C)c2ccccc21 ZINC001196052068 872857924 /nfs/dbraw/zinc/85/79/24/872857924.db2.gz JLBWNRVREMVRJJ-IERDGZPVSA-N -1 3 393.549 3.842 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000619664453 872875671 /nfs/dbraw/zinc/87/56/71/872875671.db2.gz NCYOFOYNUDDTCC-QMMMGPOBSA-N -1 3 386.233 3.792 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1Cc1ccc(F)cc1F ZINC000191910973 882664467 /nfs/dbraw/zinc/66/44/67/882664467.db2.gz ALQSLMXLKJEVDW-UHFFFAOYSA-N -1 3 382.292 3.583 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(C(F)(F)F)cc21)c1ccc(Cl)cn1 ZINC001196273747 873010946 /nfs/dbraw/zinc/01/09/46/873010946.db2.gz ZSSDMXZZVTWGTG-CYBMUJFWSA-N -1 3 376.787 3.720 20 0 GHADHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(Cl)c1 ZINC001196384539 873065865 /nfs/dbraw/zinc/06/58/65/873065865.db2.gz PXNAUCKQDOHCAR-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000768078787 873072064 /nfs/dbraw/zinc/07/20/64/873072064.db2.gz RINXVKNWMHKQBV-UHFFFAOYSA-N -1 3 398.290 3.556 20 0 GHADHM O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1cccc2n[n-]nc21 ZINC000527355413 873072045 /nfs/dbraw/zinc/07/20/45/873072045.db2.gz GSUBQTGJQBJAGI-UHFFFAOYSA-N -1 3 387.230 3.762 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc2cc(Cl)ccc2c1 ZINC001196433476 873082972 /nfs/dbraw/zinc/08/29/72/873082972.db2.gz ZGXGNSYFAUOGGD-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM CC(C)[C@H](NC(=O)c1cc([O-])cc(I)c1)c1cccnc1 ZINC001196427250 873109148 /nfs/dbraw/zinc/10/91/48/873109148.db2.gz GGRHCAHJTSFANQ-HNNXBMFYSA-N -1 3 396.228 3.519 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(I)c2)c2ccccc21 ZINC001196428659 873109171 /nfs/dbraw/zinc/10/91/71/873109171.db2.gz OPGOPQUADRPBHR-HWPZZCPQSA-N -1 3 393.224 3.975 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000527480260 873178871 /nfs/dbraw/zinc/17/88/71/873178871.db2.gz IIMOVCDAGIMCIL-NRFANRHFSA-N -1 3 375.428 3.573 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)COc3ccccc3OC)nc2)n1 ZINC000153100340 873191086 /nfs/dbraw/zinc/19/10/86/873191086.db2.gz KCJDFBBAXMUVLK-HNNXBMFYSA-N -1 3 394.475 3.530 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(NC(=O)N(C)C)c3C)c[n-]c12 ZINC000527499173 873219623 /nfs/dbraw/zinc/21/96/23/873219623.db2.gz NSKOTVPEHXHEDK-UHFFFAOYSA-N -1 3 396.422 3.630 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cccc(C2SCCS2)c1 ZINC001196589214 873246116 /nfs/dbraw/zinc/24/61/16/873246116.db2.gz BYUYKHWHHICBGS-UHFFFAOYSA-N -1 3 398.517 3.913 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cccc(C2SCCS2)c1 ZINC001196589214 873246124 /nfs/dbraw/zinc/24/61/24/873246124.db2.gz BYUYKHWHHICBGS-UHFFFAOYSA-N -1 3 398.517 3.913 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccncc3)n2C2CCCCC2)n1 ZINC000768413655 873278745 /nfs/dbraw/zinc/27/87/45/873278745.db2.gz IWKQIXXJVGCHBR-UHFFFAOYSA-N -1 3 382.493 3.942 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000541308138 873332834 /nfs/dbraw/zinc/33/28/34/873332834.db2.gz BGHLQDHCTMQHOI-MNOVXSKESA-N -1 3 385.835 3.842 20 0 GHADHM Cc1ncsc1CCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001197070191 873576703 /nfs/dbraw/zinc/57/67/03/873576703.db2.gz USQBCDONNAIFHS-ZDUSSCGKSA-N -1 3 383.439 3.666 20 0 GHADHM O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134112834 882742620 /nfs/dbraw/zinc/74/26/20/882742620.db2.gz WVFGUIVKGZJVQI-INIZCTEOSA-N -1 3 394.393 3.641 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000448690450 873777376 /nfs/dbraw/zinc/77/73/76/873777376.db2.gz MPNCONRJCNXIDM-KRWDZBQOSA-N -1 3 394.849 3.820 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1F ZINC001197537644 873866458 /nfs/dbraw/zinc/86/64/58/873866458.db2.gz IGUVLLNCPJEIKR-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000177183670 882770573 /nfs/dbraw/zinc/77/05/73/882770573.db2.gz ZISDNJPCVAQEBO-AWEZNQCLSA-N -1 3 377.444 3.886 20 0 GHADHM COc1ccc(-c2nnsc2[N-]C(=O)c2c(C)noc2C(F)(F)F)cc1 ZINC001197592144 873929419 /nfs/dbraw/zinc/92/94/19/873929419.db2.gz AHWFSGUYKOISAH-UHFFFAOYSA-N -1 3 384.339 3.781 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C ZINC001197695613 873986815 /nfs/dbraw/zinc/98/68/15/873986815.db2.gz XZDCFTBSSKIKRI-HNNXBMFYSA-N -1 3 393.908 3.655 20 0 GHADHM O=c1[nH]ccc2cc([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)ccc21 ZINC001197748882 874025077 /nfs/dbraw/zinc/02/50/77/874025077.db2.gz DRTYTXVEYNVAPG-UHFFFAOYSA-N -1 3 383.256 3.777 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCC(F)(F)CC2)c1 ZINC001198035049 874191043 /nfs/dbraw/zinc/19/10/43/874191043.db2.gz XIROTXVFVUHJBQ-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448917708 874206244 /nfs/dbraw/zinc/20/62/44/874206244.db2.gz LWFIONRJQFHCTM-ZYHUDNBSSA-N -1 3 378.416 3.842 20 0 GHADHM Cc1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198152169 874249057 /nfs/dbraw/zinc/24/90/57/874249057.db2.gz AKRUUZOHOBPBHS-UHFFFAOYSA-N -1 3 382.489 3.729 20 0 GHADHM CC[C@@H]1CCCN1C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769759523 874260705 /nfs/dbraw/zinc/26/07/05/874260705.db2.gz MHIVZQDUYUJQBJ-MRXNPFEDSA-N -1 3 398.459 3.676 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C1CCC1 ZINC000769900641 874330972 /nfs/dbraw/zinc/33/09/72/874330972.db2.gz PDVFTCSHRJSZNR-UHFFFAOYSA-N -1 3 398.459 3.676 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2Br)cn1 ZINC001198318111 874349148 /nfs/dbraw/zinc/34/91/48/874349148.db2.gz QTXTWFFOUWLEGE-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM COC(=O)NC(C)(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770078910 874442309 /nfs/dbraw/zinc/44/23/09/874442309.db2.gz GXOJZQOSPDPSNQ-UHFFFAOYSA-N -1 3 385.445 3.742 20 0 GHADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797441770 874495109 /nfs/dbraw/zinc/49/51/09/874495109.db2.gz DTKHONHXDXIIKO-VIFPVBQESA-N -1 3 378.675 3.605 20 0 GHADHM O=C(OCC1CCC(C(F)(F)F)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000770336471 874628254 /nfs/dbraw/zinc/62/82/54/874628254.db2.gz GANLZWHJYOVPHV-XUJLQICISA-N -1 3 399.409 3.909 20 0 GHADHM Cc1ccc(Nc2ccccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000775906339 874671394 /nfs/dbraw/zinc/67/13/94/874671394.db2.gz CRIPBXQDCCWROO-UHFFFAOYSA-N -1 3 375.354 3.806 20 0 GHADHM COc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(Br)c1 ZINC000770592577 874776437 /nfs/dbraw/zinc/77/64/37/874776437.db2.gz WFFMZVQQYJYODO-UHFFFAOYSA-N -1 3 378.148 3.584 20 0 GHADHM CC[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)c1ccc(NC(C)=O)cc1 ZINC000775933912 874794294 /nfs/dbraw/zinc/79/42/94/874794294.db2.gz RJKDMBDOFCNHRP-MRXNPFEDSA-N -1 3 375.808 3.822 20 0 GHADHM CSc1ccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1NC(C)=O ZINC000775935599 874795693 /nfs/dbraw/zinc/79/56/93/874795693.db2.gz LPVKPCVBEMEIQS-UHFFFAOYSA-N -1 3 393.848 3.766 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(Cl)c1NC(=O)c1ccc([O-])c(=O)[nH]1 ZINC001199199536 874848118 /nfs/dbraw/zinc/84/81/18/874848118.db2.gz WNOKIUZQGMJHEM-UHFFFAOYSA-N -1 3 379.800 3.746 20 0 GHADHM Cc1ccc(Oc2ncccc2NC(=O)c2ccc([O-])c(=O)[nH]2)c2c1CCC2 ZINC001199200057 874848352 /nfs/dbraw/zinc/84/83/52/874848352.db2.gz ZUKMHWFWWOTEGA-UHFFFAOYSA-N -1 3 377.400 3.730 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1F ZINC000542092337 874933202 /nfs/dbraw/zinc/93/32/02/874933202.db2.gz GJYLWRAZPDTHFF-INIZCTEOSA-N -1 3 395.452 3.501 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)c(C)c1F ZINC000542102220 874960264 /nfs/dbraw/zinc/96/02/64/874960264.db2.gz ROKMBGSJRZEZMH-UHFFFAOYSA-N -1 3 397.378 3.612 20 0 GHADHM COc1cc(N[C@@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)cc(OC)c1 ZINC000476708057 882900188 /nfs/dbraw/zinc/90/01/88/882900188.db2.gz VOHJQRFKUCMJEH-CYBMUJFWSA-N -1 3 390.867 3.780 20 0 GHADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000542233113 875188497 /nfs/dbraw/zinc/18/84/97/875188497.db2.gz FUDJRBNVFDKTPR-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3nc4ccccc4s3)nc21 ZINC000746507790 875298181 /nfs/dbraw/zinc/29/81/81/875298181.db2.gz YICILPIJTVPZDH-UHFFFAOYSA-N -1 3 398.469 3.690 20 0 GHADHM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([O-])cc(Br)c1 ZINC000529021459 875465880 /nfs/dbraw/zinc/46/58/80/875465880.db2.gz DKXPXKPTDXJNCI-DOTOQJQBSA-N -1 3 394.240 3.944 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccc(C)o1 ZINC001201047506 875489400 /nfs/dbraw/zinc/48/94/00/875489400.db2.gz YUCIUWBQTBRLJL-GFCCVEGCSA-N -1 3 376.247 3.919 20 0 GHADHM Cc1ncccc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001201074201 875511882 /nfs/dbraw/zinc/51/18/82/875511882.db2.gz XEHTXKDNCWITIU-HNNXBMFYSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)[n-]1 ZINC000776139824 875538637 /nfs/dbraw/zinc/53/86/37/875538637.db2.gz RDKGTNGLNGCRCW-ZDUSSCGKSA-N -1 3 385.851 3.577 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nc(C)ccc3[O-])s2)cc1 ZINC000542462295 875587336 /nfs/dbraw/zinc/58/73/36/875587336.db2.gz ROMIDVUTSCREKH-UHFFFAOYSA-N -1 3 383.429 3.670 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)C=C3)c(C)c1C ZINC001201799589 875867062 /nfs/dbraw/zinc/86/70/62/875867062.db2.gz MLVNFJJVZKVCRW-UHFFFAOYSA-N -1 3 391.514 3.788 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)c(F)c1)c1cccc(F)c1Br ZINC001201787574 875883943 /nfs/dbraw/zinc/88/39/43/875883943.db2.gz DPIWHOQBRRWTKH-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2Br)c(C)c1 ZINC001201788957 875884133 /nfs/dbraw/zinc/88/41/33/875884133.db2.gz UWUGSRFMNBUZCE-UHFFFAOYSA-N -1 3 386.286 3.726 20 0 GHADHM Cc1nc(-c2cccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2)oc1C ZINC000172887617 875990241 /nfs/dbraw/zinc/99/02/41/875990241.db2.gz UKGSQEXPDDBCHV-UHFFFAOYSA-N -1 3 390.436 3.918 20 0 GHADHM COCCCOc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000529351417 876026838 /nfs/dbraw/zinc/02/68/38/876026838.db2.gz HJUIDXMKEBATSK-UHFFFAOYSA-N -1 3 394.265 3.500 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccnc(O[C@@H](C)CC)c3)nc2)n1 ZINC000192771580 883013552 /nfs/dbraw/zinc/01/35/52/883013552.db2.gz YSIHGUDCZXRKRR-AWEZNQCLSA-N -1 3 379.464 3.579 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000173276602 876291817 /nfs/dbraw/zinc/29/18/17/876291817.db2.gz DSPAYBWOLVXKFV-UHFFFAOYSA-N -1 3 399.447 3.875 20 0 GHADHM CCc1cc2c(CSc3nnc(-c4ccncc4)n3C)cc(=O)oc2cc1[O-] ZINC000006139390 876307688 /nfs/dbraw/zinc/30/76/88/876307688.db2.gz JKETUPDIIXSTOD-UHFFFAOYSA-N -1 3 394.456 3.544 20 0 GHADHM C[C@@H](NC(=O)COC(=O)c1cc2occc2[n-]1)c1ccc(Br)cc1 ZINC000786027336 876392072 /nfs/dbraw/zinc/39/20/72/876392072.db2.gz AZGQCQHXZKFEDV-SNVBAGLBSA-N -1 3 391.221 3.558 20 0 GHADHM O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc2sccc2c([O-])c1 ZINC000786140420 876469584 /nfs/dbraw/zinc/46/95/84/876469584.db2.gz PMKRDRYNXUSWFU-GOSISDBHSA-N -1 3 381.453 3.955 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NCCc1ccc(F)cc1 ZINC000786141068 876470495 /nfs/dbraw/zinc/47/04/95/876470495.db2.gz WGKOOZMTTDIIRG-GFCCVEGCSA-N -1 3 387.432 3.650 20 0 GHADHM CN1C(=O)CCc2cc(C(=O)COC(=O)c3cc4sccc4c([O-])c3)ccc21 ZINC000786132933 876500126 /nfs/dbraw/zinc/50/01/26/876500126.db2.gz XZNZKBVYDGGNBS-UHFFFAOYSA-N -1 3 395.436 3.556 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc(Br)ccc1Cl ZINC001129638982 883060443 /nfs/dbraw/zinc/06/04/43/883060443.db2.gz VIPIBVJBIPJDGK-UHFFFAOYSA-N -1 3 382.645 3.729 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613212 883062960 /nfs/dbraw/zinc/06/29/60/883062960.db2.gz PHXWIMQGSFFRKV-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613212 883062981 /nfs/dbraw/zinc/06/29/81/883062981.db2.gz PHXWIMQGSFFRKV-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM CO[C@]1(C)C[C@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000174018611 876781791 /nfs/dbraw/zinc/78/17/91/876781791.db2.gz IYAOVOFWIAJLIE-VBKZILBWSA-N -1 3 387.505 3.880 20 0 GHADHM CCOc1cc2c(cc1CNC(=O)CCCc1ccc([O-])c(F)c1)O[C@@H](C)C2 ZINC000786703384 876875208 /nfs/dbraw/zinc/87/52/08/876875208.db2.gz KEDGBKXFBSNYJE-AWEZNQCLSA-N -1 3 387.451 3.893 20 0 GHADHM CCc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c([O-])c1 ZINC000786710424 876878124 /nfs/dbraw/zinc/87/81/24/876878124.db2.gz FZWUHNJJPSJYQF-UHFFFAOYSA-N -1 3 378.222 3.741 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000529927820 876878178 /nfs/dbraw/zinc/87/81/78/876878178.db2.gz VGEZWDPJQFCTJA-UHFFFAOYSA-N -1 3 385.467 3.849 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000786830459 876949048 /nfs/dbraw/zinc/94/90/48/876949048.db2.gz CSVCZZBTDWNQHU-CQSZACIVSA-N -1 3 386.423 3.688 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000786832234 876950646 /nfs/dbraw/zinc/95/06/46/876950646.db2.gz RQZDVYYUBSFCTF-AWEZNQCLSA-N -1 3 386.423 3.688 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cc2ccccc2o1 ZINC000850576944 877047209 /nfs/dbraw/zinc/04/72/09/877047209.db2.gz UGFPEZKZMIPTID-ZDUSSCGKSA-N -1 3 398.463 3.804 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000787120992 877163816 /nfs/dbraw/zinc/16/38/16/877163816.db2.gz KMTUCCIXDKJTJB-QGZVFWFLSA-N -1 3 385.357 3.723 20 0 GHADHM O=C([O-])c1cccc2c1CCN(CCOc1cccc(Br)c1)C2 ZINC000391349768 877172585 /nfs/dbraw/zinc/17/25/85/877172585.db2.gz HMOVNKQMQKHJLV-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM C[C@H]1[C@@H](C(=O)Nc2cc(Br)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787153334 877200893 /nfs/dbraw/zinc/20/08/93/877200893.db2.gz MSDLLILGYHXLJH-JQWIXIFHSA-N -1 3 399.285 3.739 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(-c4ncoc4C4CC4)n3)n[n-]2)c1 ZINC000551442179 877203794 /nfs/dbraw/zinc/20/37/94/877203794.db2.gz LVBCOEYQQHZCFF-UHFFFAOYSA-N -1 3 399.208 3.817 20 0 GHADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl ZINC000451001155 877207940 /nfs/dbraw/zinc/20/79/40/877207940.db2.gz OZLTVCFKIBOQJR-LURJTMIESA-N -1 3 377.087 3.533 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1C(C)C ZINC000530155018 877215964 /nfs/dbraw/zinc/21/59/64/877215964.db2.gz XOXDLZNNVHYGRC-UHFFFAOYSA-N -1 3 384.885 3.684 20 0 GHADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530164598 877239712 /nfs/dbraw/zinc/23/97/12/877239712.db2.gz RLPNAYASQGTKTF-IBGZPJMESA-N -1 3 387.455 3.947 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1c[nH]cc1-c1ccccc1F ZINC000787198471 877245392 /nfs/dbraw/zinc/24/53/92/877245392.db2.gz IAHAMPLXPOOZHM-UHFFFAOYSA-N -1 3 379.347 3.933 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2sccc2NC(=O)c2ccncc2)s1 ZINC000064309714 883116025 /nfs/dbraw/zinc/11/60/25/883116025.db2.gz AEZCLLAGIMXGBY-UHFFFAOYSA-N -1 3 387.490 3.842 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC001212265174 877303130 /nfs/dbraw/zinc/30/31/30/877303130.db2.gz WLDKMJCCPNRLLG-MRVPVSSYSA-N -1 3 395.369 3.877 20 0 GHADHM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000787266223 877305074 /nfs/dbraw/zinc/30/50/74/877305074.db2.gz ZIDRWMKSBUBQME-CGTJXYLNSA-N -1 3 388.508 3.720 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000551498063 877307759 /nfs/dbraw/zinc/30/77/59/877307759.db2.gz MJBCYLZKNMQHTP-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787302188 877329490 /nfs/dbraw/zinc/32/94/90/877329490.db2.gz HHFRXCMZCZVENI-PBHICJAKSA-N -1 3 394.487 3.616 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000451069490 877326698 /nfs/dbraw/zinc/32/66/98/877326698.db2.gz UKOMXLGKJNLLJJ-LLVKDONJSA-N -1 3 382.454 3.755 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001212265862 877410191 /nfs/dbraw/zinc/41/01/91/877410191.db2.gz FALSRFHJHMHUMO-UHFFFAOYSA-N -1 3 397.284 3.563 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cccc(Cl)c2F)no1 ZINC001212266097 877441177 /nfs/dbraw/zinc/44/11/77/877441177.db2.gz MKIXUOXXANIREH-UHFFFAOYSA-N -1 3 377.759 3.799 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000477354085 877478448 /nfs/dbraw/zinc/47/84/48/877478448.db2.gz OXJSHVOHDFKVHG-UHFFFAOYSA-N -1 3 387.383 3.515 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CCCC2)C1 ZINC000530305606 877502371 /nfs/dbraw/zinc/50/23/71/877502371.db2.gz MRTCSMNGOLXXRK-QFIPXVFZSA-N -1 3 392.499 3.902 20 0 GHADHM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1C ZINC000477417137 877617864 /nfs/dbraw/zinc/61/78/64/877617864.db2.gz GKYKHGAMGJTKBZ-UHFFFAOYSA-N -1 3 392.706 3.737 20 0 GHADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000175745546 877882410 /nfs/dbraw/zinc/88/24/10/877882410.db2.gz KWNKLSUGTHUABI-UHFFFAOYSA-N -1 3 377.240 3.950 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000788288980 877997345 /nfs/dbraw/zinc/99/73/45/877997345.db2.gz SQKVEVKLMBHEAC-CYBMUJFWSA-N -1 3 390.505 3.984 20 0 GHADHM CCc1cc2oc(=O)cc(CNC(C)(C)c3nc(C)cc(=O)[n-]3)c2cc1Cl ZINC000852147016 878102179 /nfs/dbraw/zinc/10/21/79/878102179.db2.gz LJKCJLABIJQZMZ-UHFFFAOYSA-N -1 3 387.867 3.838 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(C)c1Cl ZINC000788597397 878195322 /nfs/dbraw/zinc/19/53/22/878195322.db2.gz PFLDZGNOBDUAJP-UHFFFAOYSA-N -1 3 399.877 3.721 20 0 GHADHM CCc1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c1[O-] ZINC000530639971 878252278 /nfs/dbraw/zinc/25/22/78/878252278.db2.gz FMWYJUGYEUUTHW-UHFFFAOYSA-N -1 3 385.445 3.560 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Cl)s1 ZINC000616021679 878396174 /nfs/dbraw/zinc/39/61/74/878396174.db2.gz QNVCKXOLGIXGOW-INIZCTEOSA-N -1 3 385.894 3.602 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2c(F)cccc2Cl)sc1Cl ZINC000788897576 878430260 /nfs/dbraw/zinc/43/02/60/878430260.db2.gz GMKSRQRJUVSFEX-OQPBUACISA-N -1 3 398.308 3.903 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cc3ccccc3s2)sc1Cl ZINC000788900097 878434824 /nfs/dbraw/zinc/43/48/24/878434824.db2.gz GNGFQOSMILBYKL-NSHDSACASA-N -1 3 387.935 3.937 20 0 GHADHM C[C@H](c1cccnc1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852673996 878511563 /nfs/dbraw/zinc/51/15/63/878511563.db2.gz SAUFIXKBSBXRMV-ZTFGCOKTSA-N -1 3 377.410 3.679 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cccc(Br)c1Cl ZINC000451830897 878542155 /nfs/dbraw/zinc/54/21/55/878542155.db2.gz YVXXMFWZSGFNMA-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM Cc1cnc(-c2cccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2)o1 ZINC000460830734 878679050 /nfs/dbraw/zinc/67/90/50/878679050.db2.gz SWDUTSPUYFAUAT-UHFFFAOYSA-N -1 3 376.409 3.610 20 0 GHADHM CS[C@@H](C)CCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000538058220 878775575 /nfs/dbraw/zinc/77/55/75/878775575.db2.gz UMPOQSBAPIJRQL-LBPRGKRZSA-N -1 3 384.929 3.754 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn(C)nc3-c3ccoc3)nc(=O)c2c1C ZINC000789262520 878790084 /nfs/dbraw/zinc/79/00/84/878790084.db2.gz BEZOGELGBHQOPX-JTQLQIEISA-N -1 3 398.444 3.925 20 0 GHADHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000452042708 878870137 /nfs/dbraw/zinc/87/01/37/878870137.db2.gz ORJNKFPNLDVSMW-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000452113117 878998222 /nfs/dbraw/zinc/99/82/22/878998222.db2.gz BMGHLKIFFXKQRQ-BZNIZROVSA-N -1 3 381.350 3.719 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cnn1-c1ccc(F)cc1F ZINC000538219703 879038598 /nfs/dbraw/zinc/03/85/98/879038598.db2.gz RXOGUDBUBPROHZ-UHFFFAOYSA-N -1 3 393.397 3.832 20 0 GHADHM Cc1ccc(C2(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)CCOCC2)cc1 ZINC000538221616 879042671 /nfs/dbraw/zinc/04/26/71/879042671.db2.gz FUFLRBDAEGYRDT-UHFFFAOYSA-N -1 3 375.472 3.802 20 0 GHADHM COc1cccc(CCC(=O)Nc2cc(Br)ccc2[O-])c1OC ZINC000531155382 879261121 /nfs/dbraw/zinc/26/11/21/879261121.db2.gz BBEYCUUYSBHJEQ-UHFFFAOYSA-N -1 3 380.238 3.743 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1cccc(Cl)c1Br ZINC000493279100 879361590 /nfs/dbraw/zinc/36/15/90/879361590.db2.gz GWQAKICWNHYJGG-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM COC(=O)c1sc2[n-]c(Cc3nc(-c4ccccc4)cs3)nc(=O)c2c1C ZINC000055504107 879368654 /nfs/dbraw/zinc/36/86/54/879368654.db2.gz BGFRNVFZVJWKTB-UHFFFAOYSA-N -1 3 397.481 3.794 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)c1ccco1 ZINC000790014140 879401978 /nfs/dbraw/zinc/40/19/78/879401978.db2.gz CYGXMHNZMCRGTB-HNNXBMFYSA-N -1 3 380.441 3.592 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCC12CCCCC2 ZINC000617105713 879447216 /nfs/dbraw/zinc/44/72/16/879447216.db2.gz QAGUBMLQSMWVTA-IBGZPJMESA-N -1 3 394.519 3.692 20 0 GHADHM CC(C)(C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)C(N)=O ZINC000452450494 879460730 /nfs/dbraw/zinc/46/07/30/879460730.db2.gz QHELFDWMQHLUFS-IBGZPJMESA-N -1 3 394.515 3.737 20 0 GHADHM CC(C)(C[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C(N)=O ZINC000452454347 879468591 /nfs/dbraw/zinc/46/85/91/879468591.db2.gz YXQJQXWIGQRJRL-INIZCTEOSA-N -1 3 396.487 3.938 20 0 GHADHM CC(C)N1C(=S)N=NC1CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746887405 879538397 /nfs/dbraw/zinc/53/83/97/879538397.db2.gz VTCFDYUXYDYJDW-UHFFFAOYSA-N -1 3 398.488 3.618 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000790276365 879562693 /nfs/dbraw/zinc/56/26/93/879562693.db2.gz LGNWNROGVQEZKI-ULQDDVLXSA-N -1 3 390.528 3.663 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)s1 ZINC000170900012 879564636 /nfs/dbraw/zinc/56/46/36/879564636.db2.gz UUWJJBSFHMIOKJ-UHFFFAOYSA-N -1 3 392.424 3.953 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](c2ccncc2)C(C)C)[nH][n-]1 ZINC000493671311 879591606 /nfs/dbraw/zinc/59/16/06/879591606.db2.gz ZKFXUKOCHRGMSJ-LJQANCHMSA-N -1 3 384.867 3.934 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cccc(Cl)c1Br ZINC000493889702 879703735 /nfs/dbraw/zinc/70/37/35/879703735.db2.gz XMHSSQGNHGFGCA-SGIREYDYSA-N -1 3 398.709 3.719 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000531373914 879725031 /nfs/dbraw/zinc/72/50/31/879725031.db2.gz YNZFJISTIPIYDA-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000531373927 879725699 /nfs/dbraw/zinc/72/56/99/879725699.db2.gz ZVSVNTVCWDNFAV-QGZVFWFLSA-N -1 3 399.249 3.850 20 0 GHADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000531393890 879731742 /nfs/dbraw/zinc/73/17/42/879731742.db2.gz BLXAPMYREWYIGW-UHFFFAOYSA-N -1 3 381.226 3.529 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000790510976 879782441 /nfs/dbraw/zinc/78/24/41/879782441.db2.gz SARFOPFUBYZZSW-LLVKDONJSA-N -1 3 381.341 3.867 20 0 GHADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000494005136 879809425 /nfs/dbraw/zinc/80/94/25/879809425.db2.gz WJKBLTBYBUMJMD-INIZCTEOSA-N -1 3 382.489 3.984 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Br)cn1 ZINC000477775511 879874138 /nfs/dbraw/zinc/87/41/38/879874138.db2.gz TXACRWGVLMGSEB-LLVKDONJSA-N -1 3 381.245 3.889 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(Cl)cc3Cl)nc21 ZINC000494115547 879913778 /nfs/dbraw/zinc/91/37/78/879913778.db2.gz JOKDNUDORBGQRC-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)Cc3ccccc3OC)nc21 ZINC000494126590 879921273 /nfs/dbraw/zinc/92/12/73/879921273.db2.gz APZSYQMQYLPIDU-CYBMUJFWSA-N -1 3 381.432 3.566 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)Cc3ccccc3OC)nc21 ZINC000494126591 879922172 /nfs/dbraw/zinc/92/21/72/879922172.db2.gz APZSYQMQYLPIDU-ZDUSSCGKSA-N -1 3 381.432 3.566 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1Cl ZINC000247317948 879969534 /nfs/dbraw/zinc/96/95/34/879969534.db2.gz OMDWJELQCOLRTQ-ISTVAULSSA-N -1 3 376.881 3.541 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000791361435 880371268 /nfs/dbraw/zinc/37/12/68/880371268.db2.gz ZEYRVNWSROXXLB-LBPRGKRZSA-N -1 3 376.478 3.688 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 ZINC000855311308 880435829 /nfs/dbraw/zinc/43/58/29/880435829.db2.gz FORPHLCAUGZJHJ-UHFFFAOYSA-N -1 3 378.350 3.611 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CC34CCSCC4)cc2)cc(=O)[n-]1 ZINC000643259186 912580215 /nfs/dbraw/zinc/58/02/15/912580215.db2.gz PURUMJJEWZVPGL-OAHLLOKOSA-N -1 3 384.505 3.812 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)cc1 ZINC000185977878 880748104 /nfs/dbraw/zinc/74/81/04/880748104.db2.gz GRMPJWTWZMHYBF-UHFFFAOYSA-N -1 3 397.294 3.825 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)nc21 ZINC000185992471 880752301 /nfs/dbraw/zinc/75/23/01/880752301.db2.gz DWGJHEIFMOSLHD-WDEREUQCSA-N -1 3 389.333 3.509 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2NC(C)C)ccc1F ZINC000855861381 880826993 /nfs/dbraw/zinc/82/69/93/880826993.db2.gz CHMDTBZSIXTMET-UHFFFAOYSA-N -1 3 393.484 3.585 20 0 GHADHM CCN(CC)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000532019431 880936391 /nfs/dbraw/zinc/93/63/91/880936391.db2.gz RHBKJPIUNTWVMQ-UHFFFAOYSA-N -1 3 377.282 3.931 20 0 GHADHM CC(C)C[C@H](C(=O)Nc1cc(Br)ccc1[O-])N1CCCCC1=O ZINC000532030355 881002025 /nfs/dbraw/zinc/00/20/25/881002025.db2.gz MWXBCVPPVOAZKK-CQSZACIVSA-N -1 3 383.286 3.520 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccc(F)cc1 ZINC000792280669 881010337 /nfs/dbraw/zinc/01/03/37/881010337.db2.gz GQKSPPMFKCFWMN-CQSZACIVSA-N -1 3 392.402 3.917 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(Br)n1 ZINC000792482878 881137173 /nfs/dbraw/zinc/13/71/73/881137173.db2.gz IBIOMBCVYRIUNC-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(Br)n1 ZINC000792482878 881137177 /nfs/dbraw/zinc/13/71/77/881137177.db2.gz IBIOMBCVYRIUNC-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1cccnc1[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C(C)C ZINC000640291837 881150700 /nfs/dbraw/zinc/15/07/00/881150700.db2.gz FHEDICRUWRCJJM-GFCCVEGCSA-N -1 3 389.809 3.743 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC001183609477 912649738 /nfs/dbraw/zinc/64/97/38/912649738.db2.gz APTVJYHDMPRFID-MRXNPFEDSA-N -1 3 386.467 3.967 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N2c3ccccc3CCc3ccccc32)[n-]1 ZINC000187584794 881237968 /nfs/dbraw/zinc/23/79/68/881237968.db2.gz UDFXHBKHQKXZGQ-UHFFFAOYSA-N -1 3 393.468 3.752 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)C(C)C)ccc1F ZINC000919993358 881327623 /nfs/dbraw/zinc/32/76/23/881327623.db2.gz PJMQNVBVLCHWTD-UHFFFAOYSA-N -1 3 398.525 3.625 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)sc1Br ZINC000532166831 881336143 /nfs/dbraw/zinc/33/61/43/881336143.db2.gz XKUACJJUAVXBDY-LLVKDONJSA-N -1 3 388.308 3.539 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC001129728468 883138335 /nfs/dbraw/zinc/13/83/35/883138335.db2.gz LUTRMEUXLSMKSJ-UHFFFAOYSA-N -1 3 389.818 3.765 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC001129728468 883138353 /nfs/dbraw/zinc/13/83/53/883138353.db2.gz LUTRMEUXLSMKSJ-UHFFFAOYSA-N -1 3 389.818 3.765 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H](O)c1ccccc1C1CCCCC1 ZINC001183653545 912695792 /nfs/dbraw/zinc/69/57/92/912695792.db2.gz BGANHEIPYONPHK-IBGZPJMESA-N -1 3 377.448 3.587 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H](O)c1ccccc1C1CCCCC1 ZINC001183653545 912695810 /nfs/dbraw/zinc/69/58/10/912695810.db2.gz BGANHEIPYONPHK-IBGZPJMESA-N -1 3 377.448 3.587 20 0 GHADHM CCC(CC)(CNCc1c(Br)cncc1Br)C(=O)[O-] ZINC000263031596 883497702 /nfs/dbraw/zinc/49/77/02/883497702.db2.gz HCGQKZGCTZWALG-UHFFFAOYSA-N -1 3 394.107 3.587 20 0 GHADHM CC(C)C[C@@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)C(=O)[O-] ZINC000263077737 883534831 /nfs/dbraw/zinc/53/48/31/883534831.db2.gz QXXIOHVTNPPPTK-ZDUSSCGKSA-N -1 3 380.286 3.676 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130087970 883609143 /nfs/dbraw/zinc/60/91/43/883609143.db2.gz VWYIDIYMGZJJFH-SOUVJXGZSA-N -1 3 382.426 3.695 20 0 GHADHM Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000078961361 883621037 /nfs/dbraw/zinc/62/10/37/883621037.db2.gz GCDWQUXBSZXXNY-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1 ZINC000805300443 883712969 /nfs/dbraw/zinc/71/29/69/883712969.db2.gz QFAYQYBIJHMPJM-MRXNPFEDSA-N -1 3 376.497 3.864 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2C(C)C)cc1OC ZINC000053122433 883713165 /nfs/dbraw/zinc/71/31/65/883713165.db2.gz LXUAOECCVIYSDW-UHFFFAOYSA-N -1 3 382.507 3.894 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3Cc4ccccc4S3)nc(=O)c2c1C ZINC000012994131 884164295 /nfs/dbraw/zinc/16/42/95/884164295.db2.gz HUCZZQHPZGJWIB-QMTHXVAHSA-N -1 3 386.498 3.923 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1csc(=NC2CC2)[n-]1 ZINC000494931613 884207768 /nfs/dbraw/zinc/20/77/68/884207768.db2.gz QXXPSLXANZQFDB-IBGZPJMESA-N -1 3 389.484 3.535 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(C)o1 ZINC000747283598 884224155 /nfs/dbraw/zinc/22/41/55/884224155.db2.gz JWCQZELIUHWNBL-ZDUSSCGKSA-N -1 3 395.424 3.866 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1cccc(C)c1 ZINC000914610603 884327950 /nfs/dbraw/zinc/32/79/50/884327950.db2.gz WJVTUTPRWOCIOV-UHFFFAOYSA-N -1 3 392.496 3.878 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(COC(=O)c2cc([O-])cc(Br)c2)n1 ZINC000860202501 884413312 /nfs/dbraw/zinc/41/33/12/884413312.db2.gz UCEQKXJYRFMQOX-JTQLQIEISA-N -1 3 399.241 3.628 20 0 GHADHM O=C(COC(=O)c1cc([O-])cc(Br)c1)C1CCC(F)(F)CC1 ZINC000860201552 884413844 /nfs/dbraw/zinc/41/38/44/884413844.db2.gz HVHBNJXKHYGJKW-UHFFFAOYSA-N -1 3 377.181 3.706 20 0 GHADHM CCN(CC)c1nc([N-][C@H](c2ccccn2)C(F)(F)F)nc2cccnc21 ZINC001168476627 884492185 /nfs/dbraw/zinc/49/21/85/884492185.db2.gz GAOOHQZRUSNOMI-OAHLLOKOSA-N -1 3 376.386 3.982 20 0 GHADHM CCSc1ccc(CC(=O)[N-]OCc2cccnc2)c(Br)c1 ZINC000860311952 884553268 /nfs/dbraw/zinc/55/32/68/884553268.db2.gz CMGFJPXQVGKCDS-UHFFFAOYSA-N -1 3 381.295 3.747 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(Cl)cc2F)ccc1F ZINC000914716803 884608177 /nfs/dbraw/zinc/60/81/77/884608177.db2.gz SVBOYIOYFASJTM-UHFFFAOYSA-N -1 3 389.807 3.524 20 0 GHADHM CC(C)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC000914725915 884618090 /nfs/dbraw/zinc/61/80/90/884618090.db2.gz YXHKGUDCXYAVJR-UHFFFAOYSA-N -1 3 392.496 3.815 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)N1CCC(OCc2ccccc2)CC1 ZINC000918939986 884627869 /nfs/dbraw/zinc/62/78/69/884627869.db2.gz TYBCYVQYTVNLDB-UHFFFAOYSA-N -1 3 398.484 3.594 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)o2)c(C)c1 ZINC000898210434 884633020 /nfs/dbraw/zinc/63/30/20/884633020.db2.gz GPUNFYPOSXKAJG-HNNXBMFYSA-N -1 3 381.432 3.534 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CC2)c2ccccc2N=C3C)c1 ZINC000898241645 884657180 /nfs/dbraw/zinc/65/71/80/884657180.db2.gz FWSKGVSTBPQRHA-UHFFFAOYSA-N -1 3 377.444 3.631 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cnc(Cl)c(Cl)c1 ZINC000163389846 884685191 /nfs/dbraw/zinc/68/51/91/884685191.db2.gz GDSIPACKYGFIET-IUODEOHRSA-N -1 3 387.288 3.587 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000263335339 884692072 /nfs/dbraw/zinc/69/20/72/884692072.db2.gz DGWRPSKDMPYJBW-NRFANRHFSA-N -1 3 397.519 3.685 20 0 GHADHM CC(C)OCc1ccccc1CNC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919047213 884803417 /nfs/dbraw/zinc/80/34/17/884803417.db2.gz ROFMCIHTYGBPME-UHFFFAOYSA-N -1 3 399.274 3.720 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 ZINC000761860882 884893198 /nfs/dbraw/zinc/89/31/98/884893198.db2.gz DAAPPPHOJYLQNB-UHFFFAOYSA-N -1 3 376.869 3.727 20 0 GHADHM O=C([N-]c1cccc2ocnc21)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000556437441 884920591 /nfs/dbraw/zinc/92/05/91/884920591.db2.gz CKHNXHRXEFGOLX-UHFFFAOYSA-N -1 3 391.284 3.819 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cs1 ZINC000643819933 912880682 /nfs/dbraw/zinc/88/06/82/912880682.db2.gz NDQCSGBGGYLBQA-UHFFFAOYSA-N -1 3 385.836 3.767 20 0 GHADHM Cc1cc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)n(-c2ccc(C)cc2)n1 ZINC000914892160 885119746 /nfs/dbraw/zinc/11/97/46/885119746.db2.gz SIYGRVNAVFYIAP-UHFFFAOYSA-N -1 3 394.456 3.827 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)c(Br)s3)nc21 ZINC001127331849 885213276 /nfs/dbraw/zinc/21/32/76/885213276.db2.gz VTNNWSOALVHJPQ-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc4c(C)nn(C)c4s3)s2)c1 ZINC000107177899 885257906 /nfs/dbraw/zinc/25/79/06/885257906.db2.gz IMEQQNRZBJPOIL-UHFFFAOYSA-N -1 3 399.501 3.646 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccncc1C ZINC000107294503 885337516 /nfs/dbraw/zinc/33/75/16/885337516.db2.gz PHNNPCPDFDVEOM-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)N(C)c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919327345 885340136 /nfs/dbraw/zinc/34/01/36/885340136.db2.gz IPGOAMZZUNVSRR-LJQANCHMSA-N -1 3 381.432 3.823 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)N(C)c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919327345 885340149 /nfs/dbraw/zinc/34/01/49/885340149.db2.gz IPGOAMZZUNVSRR-LJQANCHMSA-N -1 3 381.432 3.823 20 0 GHADHM CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)Nc1ccc(OC)cc1 ZINC000919329036 885345127 /nfs/dbraw/zinc/34/51/27/885345127.db2.gz KXMPQETYZBHXQQ-KRWDZBQOSA-N -1 3 383.404 3.561 20 0 GHADHM CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(=O)Nc1ccc(OC)cc1 ZINC000919329036 885345142 /nfs/dbraw/zinc/34/51/42/885345142.db2.gz KXMPQETYZBHXQQ-KRWDZBQOSA-N -1 3 383.404 3.561 20 0 GHADHM COc1cccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC001183976136 912934343 /nfs/dbraw/zinc/93/43/43/912934343.db2.gz CBZIXNGFTCNUMM-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1c[n-]c2ccccc2c1=O ZINC000053547332 885512219 /nfs/dbraw/zinc/51/22/19/885512219.db2.gz QGCNMMIDAANMCX-UHFFFAOYSA-N -1 3 384.439 3.980 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000747407813 885560213 /nfs/dbraw/zinc/56/02/13/885560213.db2.gz VDWCASTXGJHQNS-BETUJISGSA-N -1 3 398.887 3.894 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000476425653 885766697 /nfs/dbraw/zinc/76/66/97/885766697.db2.gz UWIBDSUYOBFEJA-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)on1)c1nnc(CCC2CCCC2)[n-]1 ZINC000108592817 885791671 /nfs/dbraw/zinc/79/16/71/885791671.db2.gz AMWIFXJKPXGSBX-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)on1)c1nc(CCC2CCCC2)n[n-]1 ZINC000108592817 885791679 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O=C([O-])/C=C/c1ccc(OCCN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000863470126 887136281 /nfs/dbraw/zinc/13/62/81/887136281.db2.gz BCRQMDSBHKRSCE-RMKNXTFCSA-N -1 3 385.435 3.846 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccn(C4CCCC4)n3)c2)n1 ZINC000132168591 887626158 /nfs/dbraw/zinc/62/61/58/887626158.db2.gz MUTXZQFMCQNBDK-UHFFFAOYSA-N -1 3 377.448 3.563 20 0 GHADHM O=C([O-])C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCCCC1 ZINC000864520504 887823497 /nfs/dbraw/zinc/82/34/97/887823497.db2.gz WSLCOGRPRQAREL-QGZVFWFLSA-N -1 3 380.851 3.573 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Oc4cnccn4)c3)cc2)n1 ZINC000134628732 887892919 /nfs/dbraw/zinc/89/29/19/887892919.db2.gz VNPZKUPRWQQBOZ-UHFFFAOYSA-N -1 3 399.410 3.580 20 0 GHADHM C[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1F ZINC000794735812 887972142 /nfs/dbraw/zinc/97/21/42/887972142.db2.gz KUADCTFZKHIZGM-XBDQXEDDSA-N -1 3 389.224 3.550 20 0 GHADHM C[C@@H](CC(=O)[N-]OCc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000763186231 888149021 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398.459 3.728 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000533310750 890225415 /nfs/dbraw/zinc/22/54/15/890225415.db2.gz BCVNKVAAONICTM-HKUYNNGSSA-N -1 3 383.517 3.667 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OC)cc1[O-] ZINC000125921613 890256297 /nfs/dbraw/zinc/25/62/97/890256297.db2.gz VCOYVOXJWNEXCD-UHFFFAOYSA-N -1 3 397.258 3.808 20 0 GHADHM CCC1(CC)CCC(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812205097 890428427 /nfs/dbraw/zinc/42/84/27/890428427.db2.gz IZOWUYCBTVPAKG-CQSZACIVSA-N -1 3 391.478 3.836 20 0 GHADHM O=C([N-]OC/C=C/Cl)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000812403023 890586175 /nfs/dbraw/zinc/58/61/75/890586175.db2.gz MKRDESHYNSOCNX-RDNKVPPGSA-N -1 3 391.682 3.646 20 0 GHADHM CC1(C)CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@@H]2CCC[C@H]21 ZINC000455245320 890589688 /nfs/dbraw/zinc/58/96/88/890589688.db2.gz LSQYBGYELVWPSI-ZIAGYGMSSA-N -1 3 377.286 3.561 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1COc2ccccc21 ZINC000126628067 890620713 /nfs/dbraw/zinc/62/07/13/890620713.db2.gz AXCNFQJJVLHAMT-RISCZKNCSA-N -1 3 391.265 3.519 20 0 GHADHM CC(C)Cn1ncc2cc(C(=O)Nc3cc(Br)ccc3[O-])cnc21 ZINC000126682809 890647933 /nfs/dbraw/zinc/64/79/33/890647933.db2.gz GYLADDBZXNCVEJ-UHFFFAOYSA-N -1 3 389.253 3.808 20 0 GHADHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126713623 890661317 /nfs/dbraw/zinc/66/13/17/890661317.db2.gz MRYJHSJWXSNKJO-UHFFFAOYSA-N -1 3 398.278 3.589 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)c3ccc(C(F)(F)F)cc3)n[n-]c21 ZINC000812598616 890790817 /nfs/dbraw/zinc/79/08/17/890790817.db2.gz PHGIVSFMCKMYAI-UHFFFAOYSA-N -1 3 378.306 3.630 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)c3ccc(C(F)(F)F)cc3)[n-]nc21 ZINC000812598616 890790833 /nfs/dbraw/zinc/79/08/33/890790833.db2.gz PHGIVSFMCKMYAI-UHFFFAOYSA-N -1 3 378.306 3.630 20 0 GHADHM Cc1nc(C(=O)[N-]c2csc(-c3ccncc3)n2)sc1Br ZINC001184877752 913508762 /nfs/dbraw/zinc/50/87/62/913508762.db2.gz FRXNZEIPACLRKD-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)cc1C ZINC000127314754 890999807 /nfs/dbraw/zinc/99/98/07/890999807.db2.gz RHZGSTFUOQMHAA-UHFFFAOYSA-N -1 3 390.574 3.961 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c1 ZINC000533651395 891048458 /nfs/dbraw/zinc/04/84/58/891048458.db2.gz WVZYLCSNAYLWPM-IBGZPJMESA-N -1 3 388.439 3.713 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2C)cc(OC)c1OCC(F)F ZINC000871883167 891072818 /nfs/dbraw/zinc/07/28/18/891072818.db2.gz DZPJNAGEUCMHDU-GOSISDBHSA-N -1 3 395.402 3.572 20 0 GHADHM C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([O-])c1F ZINC000872019373 891117974 /nfs/dbraw/zinc/11/79/74/891117974.db2.gz VYHSJVASXNHGCY-HNNXBMFYSA-N -1 3 392.496 3.557 20 0 GHADHM CCOC[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000825582593 891152400 /nfs/dbraw/zinc/15/24/00/891152400.db2.gz LUDCBDRGYVRJMJ-CYBMUJFWSA-N -1 3 387.871 3.936 20 0 GHADHM CCOC[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000825582593 891152404 /nfs/dbraw/zinc/15/24/04/891152404.db2.gz LUDCBDRGYVRJMJ-CYBMUJFWSA-N -1 3 387.871 3.936 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1cccnc1Cl ZINC001184906914 913528040 /nfs/dbraw/zinc/52/80/40/913528040.db2.gz IFQPDXIEUQXBHH-CYBMUJFWSA-N -1 3 391.802 3.578 20 0 GHADHM O=C([O-])c1csc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000872161411 891185524 /nfs/dbraw/zinc/18/55/24/891185524.db2.gz STRGOHWCLKZMIC-UHFFFAOYSA-N -1 3 375.494 3.942 20 0 GHADHM COc1cc(CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C2CC2)ccc1O ZINC000459387123 891209460 /nfs/dbraw/zinc/20/94/60/891209460.db2.gz JNOUDKNCGYGVJV-UHFFFAOYSA-N -1 3 377.444 3.728 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000872335431 891241290 /nfs/dbraw/zinc/24/12/90/891241290.db2.gz PGPVFAJCHNBEDV-UHFFFAOYSA-N -1 3 399.563 3.538 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000825625680 891340961 /nfs/dbraw/zinc/34/09/61/891340961.db2.gz BFKFABTZXLYAGE-CQSZACIVSA-N -1 3 394.479 3.657 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000825625680 891340977 /nfs/dbraw/zinc/34/09/77/891340977.db2.gz BFKFABTZXLYAGE-CQSZACIVSA-N -1 3 394.479 3.657 20 0 GHADHM CC[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)OCCc2ccccc21 ZINC001212065051 891488968 /nfs/dbraw/zinc/48/89/68/891488968.db2.gz VPAMAONSSKKKFE-SFHVURJKSA-N -1 3 383.872 3.636 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000128256443 891515251 /nfs/dbraw/zinc/51/52/51/891515251.db2.gz RFVLKULPBKNYKW-NSHDSACASA-N -1 3 397.378 3.795 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000067951269 891643570 /nfs/dbraw/zinc/64/35/70/891643570.db2.gz ILTLVRQNHRASKZ-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000813427609 891645136 /nfs/dbraw/zinc/64/51/36/891645136.db2.gz JUXVXMAIKSNCLL-SNVBAGLBSA-N -1 3 393.336 3.743 20 0 GHADHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000813654333 891842214 /nfs/dbraw/zinc/84/22/14/891842214.db2.gz QFDKFXVXMXHKSF-FZMZJTMJSA-N -1 3 376.478 3.735 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(OCc2cscn2)c1 ZINC000497566883 891904249 /nfs/dbraw/zinc/90/42/49/891904249.db2.gz CHWOIGBWSVCVQD-UHFFFAOYSA-N -1 3 376.441 3.786 20 0 GHADHM O=C(Cc1cc(Br)ccc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC001133907055 891924819 /nfs/dbraw/zinc/92/48/19/891924819.db2.gz LCOQTJVENAZAER-UHFFFAOYSA-N -1 3 381.617 3.662 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1(CO)CCCC1 ZINC001212088615 891943598 /nfs/dbraw/zinc/94/35/98/891943598.db2.gz XXOPIBGNACHXOC-HNNXBMFYSA-N -1 3 397.434 3.700 20 0 GHADHM COc1ccccc1[C@@H]1CSCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000874924060 892376313 /nfs/dbraw/zinc/37/63/13/892376313.db2.gz MFTLNQWMBFJKHL-KRWDZBQOSA-N -1 3 395.484 3.664 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1F ZINC000917735859 892447967 /nfs/dbraw/zinc/44/79/67/892447967.db2.gz GKOUGLRWHNSVJP-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)c([O-])c1 ZINC000497802176 892469286 /nfs/dbraw/zinc/46/92/86/892469286.db2.gz IMZRXHRUZTWRII-UHFFFAOYSA-N -1 3 393.399 3.749 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000128836272 892511415 /nfs/dbraw/zinc/51/14/15/892511415.db2.gz LORUAWUWLPILHJ-NSHDSACASA-N -1 3 386.477 3.683 20 0 GHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000263528014 892587661 /nfs/dbraw/zinc/58/76/61/892587661.db2.gz UYECFENAZKCRCC-SCLBCKFNSA-N -1 3 390.281 3.526 20 0 GHADHM CCc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC(C(=O)[O-])C2)cc1 ZINC000263533410 892589476 /nfs/dbraw/zinc/58/94/76/892589476.db2.gz XVSRJRDCNWJIQR-UHFFFAOYSA-N -1 3 375.472 3.927 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1Cl ZINC001185135045 913689181 /nfs/dbraw/zinc/68/91/81/913689181.db2.gz KAVSIRDERSUZGZ-UHFFFAOYSA-N -1 3 389.807 3.771 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c[n-]1 ZINC000814533202 892832780 /nfs/dbraw/zinc/83/27/80/892832780.db2.gz QEODUDIERYYMCJ-AWEZNQCLSA-N -1 3 392.411 3.972 20 0 GHADHM O=S(=O)(Cc1noc2c1CCCC2)[N-]Cc1c(Cl)oc2ccccc21 ZINC000918009271 892952022 /nfs/dbraw/zinc/95/20/22/892952022.db2.gz BXYSLPOJYOXSSO-UHFFFAOYSA-N -1 3 380.853 3.573 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3n[nH]nc3-c3ccccc3)nc(=O)c2c1C ZINC000805553271 893040196 /nfs/dbraw/zinc/04/01/96/893040196.db2.gz LMQMOVZDDSNJAM-JTQLQIEISA-N -1 3 395.444 3.717 20 0 GHADHM Cc1c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cnn1[C@@H]1CCOC1 ZINC000562940425 893193559 /nfs/dbraw/zinc/19/35/59/893193559.db2.gz WSMOCVMIGZLBSM-GOSISDBHSA-N -1 3 377.444 3.702 20 0 GHADHM CC(C)Oc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000455771900 893250624 /nfs/dbraw/zinc/25/06/24/893250624.db2.gz QWXIYCLRCIUSFE-UHFFFAOYSA-N -1 3 397.475 3.606 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3CC(OCc4ccccc4)C3)nc21 ZINC001134753165 893268979 /nfs/dbraw/zinc/26/89/79/893268979.db2.gz FFDDSHUCKILZNC-UHFFFAOYSA-N -1 3 393.443 3.674 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000533871047 893378941 /nfs/dbraw/zinc/37/89/41/893378941.db2.gz XBSFTFCTXGTYNK-UHFFFAOYSA-N -1 3 392.411 3.671 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2cc3ccccc3o2)no1)c1ccc(Cl)s1 ZINC000129438016 893413247 /nfs/dbraw/zinc/41/32/47/893413247.db2.gz UOYOPMNUDYWUAD-UHFFFAOYSA-N -1 3 395.849 3.676 20 0 GHADHM O=C([O-])c1cnn(C2CCN(CCCc3ccccc3Br)CC2)c1 ZINC000563289257 893568899 /nfs/dbraw/zinc/56/88/99/893568899.db2.gz KKNQEKXZKBTVLH-UHFFFAOYSA-N -1 3 392.297 3.614 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCc1cccs1 ZINC000536705013 893583380 /nfs/dbraw/zinc/58/33/80/893583380.db2.gz NLYCNQWADNHQES-UHFFFAOYSA-N -1 3 395.527 3.661 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2ccc(NC(=O)c3ccc(C)cc3)cc2)c[n-]1 ZINC000815288858 893684574 /nfs/dbraw/zinc/68/45/74/893684574.db2.gz YPYVLUDOKPYICN-UHFFFAOYSA-N -1 3 378.384 3.581 20 0 GHADHM CCc1nc(-c2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2)n[nH]1 ZINC000129634812 893744314 /nfs/dbraw/zinc/74/43/14/893744314.db2.gz LGMLCTVFANKRNG-UHFFFAOYSA-N -1 3 387.237 3.755 20 0 GHADHM [O-]c1cccc(CN2CCC(CO)(c3ccccc3)CC2)c1Br ZINC000459587030 893822168 /nfs/dbraw/zinc/82/21/68/893822168.db2.gz JVFSQWCSEUQBJU-UHFFFAOYSA-N -1 3 376.294 3.681 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000129710611 893870755 /nfs/dbraw/zinc/87/07/55/893870755.db2.gz RZEYZFXNMSOPLY-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM Cc1ccc(C(=O)C2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)cc1 ZINC000877983995 893929120 /nfs/dbraw/zinc/92/91/20/893929120.db2.gz YZWKTDOPNBFWBO-UHFFFAOYSA-N -1 3 377.444 3.846 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC000069960148 893998678 /nfs/dbraw/zinc/99/86/78/893998678.db2.gz MBTMRYARGOPNCU-NRFANRHFSA-N -1 3 395.503 3.565 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(CN2CCC[C@H](C)C2)cs1 ZINC000748022196 894154522 /nfs/dbraw/zinc/15/45/22/894154522.db2.gz KNIPWEXPSMDDMZ-VIFPVBQESA-N -1 3 388.415 3.943 20 0 GHADHM CC(C)[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc2c(c1)OCCO2 ZINC000878347024 894210290 /nfs/dbraw/zinc/21/02/90/894210290.db2.gz XWYHFGNIGQJRJT-HXUWFJFHSA-N -1 3 381.432 3.700 20 0 GHADHM CC(C)[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc2c(c1)OCCO2 ZINC000878347023 894210485 /nfs/dbraw/zinc/21/04/85/894210485.db2.gz XWYHFGNIGQJRJT-FQEVSTJZSA-N -1 3 381.432 3.700 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1Br ZINC001185425361 913852152 /nfs/dbraw/zinc/85/21/52/913852152.db2.gz NUEBHEAMCAYZLO-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM CC(C)c1ccc(CC2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)cc1 ZINC000878436499 894289012 /nfs/dbraw/zinc/28/90/12/894289012.db2.gz JFJSIWOLOBSHSP-UHFFFAOYSA-N -1 3 381.520 3.833 20 0 GHADHM COC(=O)c1cc(C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c[n-]1 ZINC000815936075 894311827 /nfs/dbraw/zinc/31/18/27/894311827.db2.gz YSKFYXBTTSCMDF-UHFFFAOYSA-N -1 3 378.384 3.581 20 0 GHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000935420512 894471108 /nfs/dbraw/zinc/47/11/08/894471108.db2.gz WPXDQVLHVDEBHP-JTQLQIEISA-N -1 3 388.418 3.557 20 0 GHADHM CN(CCOc1ccccc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001135416790 894535812 /nfs/dbraw/zinc/53/58/12/894535812.db2.gz MXDUYQWUTZJTBJ-UHFFFAOYSA-N -1 3 377.466 3.641 20 0 GHADHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000537182200 894538584 /nfs/dbraw/zinc/53/85/84/894538584.db2.gz CNKADSBGLGTSHC-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM Cn1cc([C@H]([N-]C(=O)c2ncc(C(F)(F)F)cc2Cl)C(F)(F)F)cn1 ZINC000935688475 894727747 /nfs/dbraw/zinc/72/77/47/894727747.db2.gz FWJNSVNQAZGDGK-JTQLQIEISA-N -1 3 386.683 3.521 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC000816477889 894848899 /nfs/dbraw/zinc/84/88/99/894848899.db2.gz NDEBVXMLIICBLG-LJQANCHMSA-N -1 3 380.872 3.661 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C(C)(C)C1 ZINC000816591639 894936515 /nfs/dbraw/zinc/93/65/15/894936515.db2.gz JZIGZBXULLZBQX-OAHLLOKOSA-N -1 3 382.888 3.811 20 0 GHADHM O=C(NC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)OCc1ccccc1 ZINC000816595149 894960310 /nfs/dbraw/zinc/96/03/10/894960310.db2.gz BDTDXLBGUZJGQR-MRXNPFEDSA-N -1 3 390.430 3.809 20 0 GHADHM COc1ccccc1[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCO1 ZINC000879631903 895186747 /nfs/dbraw/zinc/18/67/47/895186747.db2.gz VXIDAWSQSHOOSN-SFHVURJKSA-N -1 3 391.427 3.664 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000826123725 895286021 /nfs/dbraw/zinc/28/60/21/895286021.db2.gz VBRMUXSFNZVWEP-UHFFFAOYSA-N -1 3 394.537 3.833 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(OCCOC(C)C)CC3)c2c1 ZINC000565368243 895569881 /nfs/dbraw/zinc/56/98/81/895569881.db2.gz SXOQVONVTTYRNE-UHFFFAOYSA-N -1 3 386.492 3.960 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2nnc3ccccc3c2[O-])cc1F ZINC000128437041 895711318 /nfs/dbraw/zinc/71/13/18/895711318.db2.gz GJNGKJPNJOHQST-UHFFFAOYSA-N -1 3 393.374 3.511 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1N1CCCCCC1 ZINC000826171030 895736202 /nfs/dbraw/zinc/73/62/02/895736202.db2.gz ZIHJRDRVKLKDLO-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1N1CCCCCC1 ZINC000826171030 895736210 /nfs/dbraw/zinc/73/62/10/895736210.db2.gz ZIHJRDRVKLKDLO-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2cc(=O)oc3cc([O-])c(Cl)cc23)cn1 ZINC000880520353 895740434 /nfs/dbraw/zinc/74/04/34/895740434.db2.gz MKEXKXXWRYCKON-SFESLNEESA-N -1 3 399.878 3.796 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000565834458 895917925 /nfs/dbraw/zinc/91/79/25/895917925.db2.gz QAFJNXJDRHQBOP-ZETCQYMHSA-N -1 3 376.640 3.616 20 0 GHADHM CCSc1nc(C)c([C@H](CC)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC001136073272 895978462 /nfs/dbraw/zinc/97/84/62/895978462.db2.gz XZYWTXRRFYEUKK-ZDUSSCGKSA-N -1 3 388.522 3.876 20 0 GHADHM CCSc1nc(C)c([C@H](CC)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC001136073272 895978468 /nfs/dbraw/zinc/97/84/68/895978468.db2.gz XZYWTXRRFYEUKK-ZDUSSCGKSA-N -1 3 388.522 3.876 20 0 GHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645716522 914036804 /nfs/dbraw/zinc/03/68/04/914036804.db2.gz YXWYQUWEUIYRQX-UHFFFAOYSA-N -1 3 397.724 3.858 20 0 GHADHM C[C@H](SC[C@@H]1CN(C)CCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000566214730 896175612 /nfs/dbraw/zinc/17/56/12/896175612.db2.gz NTYZPGSGAGFRSF-RYUDHWBXSA-N -1 3 391.518 3.782 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)o1 ZINC000645748127 914046602 /nfs/dbraw/zinc/04/66/02/914046602.db2.gz RZPMVVWNPFTFDD-UHFFFAOYSA-N -1 3 398.790 3.658 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826218855 896395786 /nfs/dbraw/zinc/39/57/86/896395786.db2.gz MQDYYTSGFNJRTP-JLTOFOAXSA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826218855 896395805 /nfs/dbraw/zinc/39/58/05/896395805.db2.gz MQDYYTSGFNJRTP-JLTOFOAXSA-N -1 3 375.432 3.909 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCC1CCCCC1 ZINC001136202475 896480746 /nfs/dbraw/zinc/48/07/46/896480746.db2.gz SPVZNHXAAJVWPD-UHFFFAOYSA-N -1 3 395.459 3.693 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(N3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826238749 896592073 /nfs/dbraw/zinc/59/20/73/896592073.db2.gz OLOKEYFNQRRGPB-CYBMUJFWSA-N -1 3 383.887 3.997 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(N3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826238749 896592084 /nfs/dbraw/zinc/59/20/84/896592084.db2.gz OLOKEYFNQRRGPB-CYBMUJFWSA-N -1 3 383.887 3.997 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826238283 896592281 /nfs/dbraw/zinc/59/22/81/896592281.db2.gz BYMHTGQGLDHPRD-GFCCVEGCSA-N -1 3 394.870 3.891 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826238283 896592292 /nfs/dbraw/zinc/59/22/92/896592292.db2.gz BYMHTGQGLDHPRD-GFCCVEGCSA-N -1 3 394.870 3.891 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cccc1-c1nnn[n-]1 ZINC000826241764 896594358 /nfs/dbraw/zinc/59/43/58/896594358.db2.gz NESCYDNBFVGTOA-MRXNPFEDSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cccc1-c1nn[n-]n1 ZINC000826241764 896594372 /nfs/dbraw/zinc/59/43/72/896594372.db2.gz NESCYDNBFVGTOA-MRXNPFEDSA-N -1 3 398.854 3.864 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1c(C)noc1C ZINC000882018563 896617451 /nfs/dbraw/zinc/61/74/51/896617451.db2.gz BRSDENZUJCHTLH-JTQLQIEISA-N -1 3 397.806 3.788 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)nc1Br ZINC001185795086 914090853 /nfs/dbraw/zinc/09/08/53/914090853.db2.gz FYZNYHWHQYJUMP-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C1CCCCC1 ZINC000826260924 896748607 /nfs/dbraw/zinc/74/86/07/896748607.db2.gz KCBAPLILVNJRJF-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C1CCCCC1 ZINC000826260924 896748609 /nfs/dbraw/zinc/74/86/09/896748609.db2.gz KCBAPLILVNJRJF-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)ccc1O ZINC000826260395 896748936 /nfs/dbraw/zinc/74/89/36/896748936.db2.gz MDSJYICRDOBVKF-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)ccc1O ZINC000826260395 896748950 /nfs/dbraw/zinc/74/89/50/896748950.db2.gz MDSJYICRDOBVKF-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC001136236595 896845636 /nfs/dbraw/zinc/84/56/36/896845636.db2.gz BGQFMMNGLOUKQM-HNNXBMFYSA-N -1 3 378.428 3.866 20 0 GHADHM O=S(=O)([N-]c1nn(CC(F)(F)F)cc1Cl)C1=Cc2ccccc2CC1 ZINC000882747106 896951248 /nfs/dbraw/zinc/95/12/48/896951248.db2.gz IEYMBRLXEIAJNR-UHFFFAOYSA-N -1 3 391.802 3.828 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000645901654 914116843 /nfs/dbraw/zinc/11/68/43/914116843.db2.gz BOMNMOXWCCMJIT-OFQRWUPVSA-N -1 3 391.899 3.594 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(C)C)[nH]c3=O)c2)n1 ZINC001136271153 896996922 /nfs/dbraw/zinc/99/69/22/896996922.db2.gz PNKLVJPGQZGKHW-UHFFFAOYSA-N -1 3 378.432 3.888 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)c1[O-] ZINC000819824623 897010320 /nfs/dbraw/zinc/01/03/20/897010320.db2.gz LTOHXDVMWCLXOS-SFHVURJKSA-N -1 3 380.444 3.710 20 0 GHADHM Cc1cccc(F)c1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826298478 897225711 /nfs/dbraw/zinc/22/57/11/897225711.db2.gz UUWHCDLVSWGPSK-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cccc(F)c1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826298478 897225727 /nfs/dbraw/zinc/22/57/27/897225727.db2.gz UUWHCDLVSWGPSK-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339222 897279639 /nfs/dbraw/zinc/27/96/39/897279639.db2.gz ACELZYXMSARCGD-TWOQFEAHSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339222 897279658 /nfs/dbraw/zinc/27/96/58/897279658.db2.gz ACELZYXMSARCGD-TWOQFEAHSA-N -1 3 390.491 3.590 20 0 GHADHM Nc1c(Cl)cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1Cl ZINC001136350055 897378921 /nfs/dbraw/zinc/37/89/21/897378921.db2.gz WTJIYYYFELIYHZ-UHFFFAOYSA-N -1 3 384.169 3.948 20 0 GHADHM Cc1ccncc1[C@@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000826315908 897508784 /nfs/dbraw/zinc/50/87/84/897508784.db2.gz YGXUWKRDXDUAJR-CQSZACIVSA-N -1 3 384.447 3.853 20 0 GHADHM Cc1ccncc1[C@@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000826315908 897508788 /nfs/dbraw/zinc/50/87/88/897508788.db2.gz YGXUWKRDXDUAJR-CQSZACIVSA-N -1 3 384.447 3.853 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000820741625 897527970 /nfs/dbraw/zinc/52/79/70/897527970.db2.gz DUXAHEZIZWBDBT-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000820741625 897527988 /nfs/dbraw/zinc/52/79/88/897527988.db2.gz DUXAHEZIZWBDBT-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000883441060 897586704 /nfs/dbraw/zinc/58/67/04/897586704.db2.gz GQGDRQNAJICOQW-UHFFFAOYSA-N -1 3 395.475 3.510 20 0 GHADHM Cc1nc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(-c2ccccc2)s1 ZINC000826323633 897603094 /nfs/dbraw/zinc/60/30/94/897603094.db2.gz LQJFFYDEBQPBJX-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(-c2ccccc2)s1 ZINC000826323633 897603104 /nfs/dbraw/zinc/60/31/04/897603104.db2.gz LQJFFYDEBQPBJX-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@]3(C(=O)[O-])CCC[C@@H](C)C3)cs2)cc1 ZINC000568116816 897608871 /nfs/dbraw/zinc/60/88/71/897608871.db2.gz OMIBJBUUESEZRC-VLIAUNLRSA-N -1 3 390.505 3.854 20 0 GHADHM O=C(C[C@@H](n1ccnc1)C(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000821142206 897737973 /nfs/dbraw/zinc/73/79/73/897737973.db2.gz AEGYLNQPVBGWES-GFCCVEGCSA-N -1 3 381.276 3.643 20 0 GHADHM CCN(C(=O)C1(Cc2ccccc2)CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147801 897761931 /nfs/dbraw/zinc/76/19/31/897761931.db2.gz JJAQKFGTCOCKNR-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM CCN(C(=O)C1(Cc2ccccc2)CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147801 897761943 /nfs/dbraw/zinc/76/19/43/897761943.db2.gz JJAQKFGTCOCKNR-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM Cc1noc(C2CC2)c1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826339646 897813699 /nfs/dbraw/zinc/81/36/99/897813699.db2.gz NAQBKZPJFDKXJR-UHFFFAOYSA-N -1 3 387.399 3.927 20 0 GHADHM Cc1noc(C2CC2)c1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826339646 897813704 /nfs/dbraw/zinc/81/37/04/897813704.db2.gz NAQBKZPJFDKXJR-UHFFFAOYSA-N -1 3 387.399 3.927 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccc(C)cc2)o1 ZINC000821412289 897866861 /nfs/dbraw/zinc/86/68/61/897866861.db2.gz JLNWDMRNSIGDTE-UHFFFAOYSA-N -1 3 376.420 3.841 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccc(C)cc2)o1 ZINC000821412289 897866871 /nfs/dbraw/zinc/86/68/71/897866871.db2.gz JLNWDMRNSIGDTE-UHFFFAOYSA-N -1 3 376.420 3.841 20 0 GHADHM CCOc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000821430909 897882919 /nfs/dbraw/zinc/88/29/19/897882919.db2.gz IUBYDBAWSLGXQR-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM CCOc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000821430909 897882928 /nfs/dbraw/zinc/88/29/28/897882928.db2.gz IUBYDBAWSLGXQR-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000821481839 897920374 /nfs/dbraw/zinc/92/03/74/897920374.db2.gz PBRCVPLQAQAQBM-QGZVFWFLSA-N -1 3 398.442 3.598 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000821481839 897920376 /nfs/dbraw/zinc/92/03/76/897920376.db2.gz PBRCVPLQAQAQBM-QGZVFWFLSA-N -1 3 398.442 3.598 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001185931710 914210683 /nfs/dbraw/zinc/21/06/83/914210683.db2.gz ZJMZBGWYXZBZSZ-WBVHZDCISA-N -1 3 394.462 3.576 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1scnc1C1CC1 ZINC001170971727 898077598 /nfs/dbraw/zinc/07/75/98/898077598.db2.gz CAAIPKZNDLCLIA-UHFFFAOYSA-N -1 3 397.460 3.565 20 0 GHADHM CCN(Cc1c(F)cccc1F)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001136537972 898219568 /nfs/dbraw/zinc/21/95/68/898219568.db2.gz FYOQGZWSAUIKIY-UHFFFAOYSA-N -1 3 378.325 3.747 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)c1C ZINC000822299512 898312309 /nfs/dbraw/zinc/31/23/09/898312309.db2.gz LHUKIYRAFNDHJW-KRWDZBQOSA-N -1 3 396.520 3.711 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000826377095 898661201 /nfs/dbraw/zinc/66/12/01/898661201.db2.gz DQWZFWWQUPHVGO-HNNXBMFYSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1nn[n-]n1 ZINC000826377095 898661205 /nfs/dbraw/zinc/66/12/05/898661205.db2.gz DQWZFWWQUPHVGO-HNNXBMFYSA-N -1 3 393.344 3.603 20 0 GHADHM C[C@H]([N-]C(=O)c1ncc(C(F)(F)F)cc1Cl)c1noc(C(F)(F)F)n1 ZINC000822886815 898686038 /nfs/dbraw/zinc/68/60/38/898686038.db2.gz IZZOYOFBCAXDOW-BYPYZUCNSA-N -1 3 388.655 3.647 20 0 GHADHM Fc1cccc(CCCN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826376578 898714424 /nfs/dbraw/zinc/71/44/24/898714424.db2.gz JSUIYSRTXXPQEC-INIZCTEOSA-N -1 3 379.361 3.832 20 0 GHADHM Fc1cccc(CCCN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826376578 898714437 /nfs/dbraw/zinc/71/44/37/898714437.db2.gz JSUIYSRTXXPQEC-INIZCTEOSA-N -1 3 379.361 3.832 20 0 GHADHM O=C(OCc1cccc(Br)c1OC(F)F)c1cccc2nn[n-]c21 ZINC000800208603 898743712 /nfs/dbraw/zinc/74/37/12/898743712.db2.gz MXNSWTBSIPMWCB-UHFFFAOYSA-N -1 3 398.163 3.679 20 0 GHADHM O=C(OCc1cccc(Br)c1OC(F)F)c1cccc2[n-]nnc21 ZINC000800208603 898743713 /nfs/dbraw/zinc/74/37/13/898743713.db2.gz MXNSWTBSIPMWCB-UHFFFAOYSA-N -1 3 398.163 3.679 20 0 GHADHM O=C(OCc1cccc(Br)c1OC(F)F)c1cccc2n[n-]nc21 ZINC000800208603 898743724 /nfs/dbraw/zinc/74/37/24/898743724.db2.gz MXNSWTBSIPMWCB-UHFFFAOYSA-N -1 3 398.163 3.679 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CCC[C@@H]1F ZINC000569761657 898933582 /nfs/dbraw/zinc/93/35/82/898933582.db2.gz BXFDAYDACCHDTI-DOTOQJQBSA-N -1 3 394.443 3.555 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001202666326 898994683 /nfs/dbraw/zinc/99/46/83/898994683.db2.gz JENXIHZCSOOHGS-QMMMGPOBSA-N -1 3 375.326 3.633 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000823523850 899070900 /nfs/dbraw/zinc/07/09/00/899070900.db2.gz KSXJEGMZFANHBE-AWEZNQCLSA-N -1 3 394.537 3.833 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1c(C)cccc1[O-])Cc1ccc2ccccc2c1 ZINC001136749070 899129430 /nfs/dbraw/zinc/12/94/30/899129430.db2.gz GIOLOUNXXAGPGZ-IBGZPJMESA-N -1 3 377.440 3.616 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)[C@@H]1C[C@H]1C ZINC000570159483 899165154 /nfs/dbraw/zinc/16/51/54/899165154.db2.gz LERRSIVGDWMYOY-SPLOXXLWSA-N -1 3 384.501 3.737 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000884187335 899281923 /nfs/dbraw/zinc/28/19/23/899281923.db2.gz BHKZSDOLZBXGHS-CABZTGNLSA-N -1 3 396.734 3.968 20 0 GHADHM C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1ccsc1 ZINC000824045202 899358854 /nfs/dbraw/zinc/35/88/54/899358854.db2.gz IXNVMWZBTYYUSX-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1ccsc1 ZINC000824045202 899358865 /nfs/dbraw/zinc/35/88/65/899358865.db2.gz IXNVMWZBTYYUSX-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266284 899473445 /nfs/dbraw/zinc/47/34/45/899473445.db2.gz JHRUCOGQQIUMDO-HOTGVXAUSA-N -1 3 393.491 3.772 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266284 899473449 /nfs/dbraw/zinc/47/34/49/899473449.db2.gz JHRUCOGQQIUMDO-HOTGVXAUSA-N -1 3 393.491 3.772 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824314842 899522206 /nfs/dbraw/zinc/52/22/06/899522206.db2.gz IAOBEGVOMQHCGU-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824314842 899522213 /nfs/dbraw/zinc/52/22/13/899522213.db2.gz IAOBEGVOMQHCGU-UHFFFAOYSA-N -1 3 387.390 3.503 20 0 GHADHM C[C@@H](NC(=O)Cc1ccccc1O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479136 899624202 /nfs/dbraw/zinc/62/42/02/899624202.db2.gz LNBPGQWFXDRFDP-OAHLLOKOSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)Cc1ccccc1O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479136 899624208 /nfs/dbraw/zinc/62/42/08/899624208.db2.gz LNBPGQWFXDRFDP-OAHLLOKOSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)C1SCCS1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480551 899627176 /nfs/dbraw/zinc/62/71/76/899627176.db2.gz YDEUNRQMFWWPCD-GFCCVEGCSA-N -1 3 397.529 3.517 20 0 GHADHM C[C@@H](NC(=O)C1SCCS1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480551 899627186 /nfs/dbraw/zinc/62/71/86/899627186.db2.gz YDEUNRQMFWWPCD-GFCCVEGCSA-N -1 3 397.529 3.517 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000332401676 899639360 /nfs/dbraw/zinc/63/93/60/899639360.db2.gz YIURYLBOSWNZMQ-CQSZACIVSA-N -1 3 387.455 3.959 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499399 899666952 /nfs/dbraw/zinc/66/69/52/899666952.db2.gz OTINQSGJTKXKDL-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499399 899666956 /nfs/dbraw/zinc/66/69/56/899666956.db2.gz OTINQSGJTKXKDL-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Cl)c1ccc2nsnc2c1 ZINC001186226089 914371116 /nfs/dbraw/zinc/37/11/16/914371116.db2.gz PVBMRXSSXBCSLW-UHFFFAOYSA-N -1 3 394.787 3.559 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000332512832 899725138 /nfs/dbraw/zinc/72/51/38/899725138.db2.gz FLLQIMIRPZCWLW-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824764508 899793188 /nfs/dbraw/zinc/79/31/88/899793188.db2.gz WRPNLBLABJSKAT-KZULUSFZSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824764508 899793193 /nfs/dbraw/zinc/79/31/93/899793193.db2.gz WRPNLBLABJSKAT-KZULUSFZSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824907267 899872667 /nfs/dbraw/zinc/87/26/67/899872667.db2.gz HNOVPEMNCPLJSC-YOEHRIQHSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824907267 899872677 /nfs/dbraw/zinc/87/26/77/899872677.db2.gz HNOVPEMNCPLJSC-YOEHRIQHSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000571589251 899919256 /nfs/dbraw/zinc/91/92/56/899919256.db2.gz WAPKZOSLDIGODN-OPAMFIHVSA-N -1 3 383.444 3.595 20 0 GHADHM CC[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(OC)cc1 ZINC000825038782 899946528 /nfs/dbraw/zinc/94/65/28/899946528.db2.gz IDUAXPSPWUWDBU-AWEZNQCLSA-N -1 3 397.504 3.948 20 0 GHADHM CC[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(OC)cc1 ZINC000825038782 899946534 /nfs/dbraw/zinc/94/65/34/899946534.db2.gz IDUAXPSPWUWDBU-AWEZNQCLSA-N -1 3 397.504 3.948 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000825044045 899949583 /nfs/dbraw/zinc/94/95/83/899949583.db2.gz MNPDBXSBFDAHAE-CQSZACIVSA-N -1 3 381.933 3.942 20 0 GHADHM CCC(C)(C)NC(=O)[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000825044045 899949594 /nfs/dbraw/zinc/94/95/94/899949594.db2.gz MNPDBXSBFDAHAE-CQSZACIVSA-N -1 3 381.933 3.942 20 0 GHADHM CCCCC[C@H](CC)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825268612 900062804 /nfs/dbraw/zinc/06/28/04/900062804.db2.gz WGGPEFDHUMWHPY-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM CCCCC[C@H](CC)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825268612 900062820 /nfs/dbraw/zinc/06/28/20/900062820.db2.gz WGGPEFDHUMWHPY-INIZCTEOSA-N -1 3 384.528 3.558 20 0 GHADHM CCCc1noc(CN[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825351707 900118299 /nfs/dbraw/zinc/11/82/99/900118299.db2.gz HUMIOKWFDFIYMT-CQSZACIVSA-N -1 3 389.463 3.720 20 0 GHADHM CCCc1noc(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825351707 900118303 /nfs/dbraw/zinc/11/83/03/900118303.db2.gz HUMIOKWFDFIYMT-CQSZACIVSA-N -1 3 389.463 3.720 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001137040808 900181013 /nfs/dbraw/zinc/18/10/13/900181013.db2.gz XBCYKZSTWUTNQL-MRXNPFEDSA-N -1 3 376.497 3.987 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826422801 900249026 /nfs/dbraw/zinc/24/90/26/900249026.db2.gz MSTXBKJDFUHZNY-DOJUMQAQSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826422801 900249038 /nfs/dbraw/zinc/24/90/38/900249038.db2.gz MSTXBKJDFUHZNY-DOJUMQAQSA-N -1 3 393.516 3.955 20 0 GHADHM Cc1c2ccccc2nc(N2CCN(C)[C@@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC000572884553 900300561 /nfs/dbraw/zinc/30/05/61/900300561.db2.gz KLRDBSXQEMYKEC-SFHVURJKSA-N -1 3 375.472 3.605 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000573009666 900340149 /nfs/dbraw/zinc/34/01/49/900340149.db2.gz OTWRPWABYVTKSE-UHFFFAOYSA-N -1 3 391.880 3.626 20 0 GHADHM CCCCc1ncc(CN(C)C2CCOCC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747910 900473646 /nfs/dbraw/zinc/47/36/46/900473646.db2.gz CJFMLAWWESJBCJ-UHFFFAOYSA-N -1 3 385.508 3.583 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3cccc(Cl)c3)nc(=O)c2c1C ZINC000038450597 900624067 /nfs/dbraw/zinc/62/40/67/900624067.db2.gz MSNLYOZAMRQGBE-SNVBAGLBSA-N -1 3 391.880 3.584 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCCCS1 ZINC000826455310 900627357 /nfs/dbraw/zinc/62/73/57/900627357.db2.gz IYZJDVWUGPPUJS-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCCCS1 ZINC000826455310 900627362 /nfs/dbraw/zinc/62/73/62/900627362.db2.gz IYZJDVWUGPPUJS-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000573866019 900672854 /nfs/dbraw/zinc/67/28/54/900672854.db2.gz WMMWHPFUQSPPKR-LBPRGKRZSA-N -1 3 388.320 3.607 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000574386537 900875023 /nfs/dbraw/zinc/87/50/23/900875023.db2.gz MGOBYNGLOIZBNX-AWEZNQCLSA-N -1 3 393.406 3.644 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000574429909 900886237 /nfs/dbraw/zinc/88/62/37/900886237.db2.gz CJHNQLIIDKSJLV-VFZGTOFNSA-N -1 3 375.343 3.645 20 0 GHADHM COc1ccc(CC[C@](C)(NCc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000574505568 900912546 /nfs/dbraw/zinc/91/25/46/900912546.db2.gz KCAADTRQLNVRLT-QFIPXVFZSA-N -1 3 380.444 3.916 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C)c2ccccc2)cc1 ZINC000138186894 901105236 /nfs/dbraw/zinc/10/52/36/901105236.db2.gz PXHQRAICFQKTDE-OAHLLOKOSA-N -1 3 377.462 3.520 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cccc3n[n-]nc32)c1 ZINC000575454935 901236175 /nfs/dbraw/zinc/23/61/75/901236175.db2.gz FQWSUYLJGDLLKV-UHFFFAOYSA-N -1 3 386.415 3.532 20 0 GHADHM CCCN(CCC)c1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000844800823 901280383 /nfs/dbraw/zinc/28/03/83/901280383.db2.gz RREJWVWMFHRCEU-UHFFFAOYSA-N -1 3 384.406 3.772 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826505312 901373636 /nfs/dbraw/zinc/37/36/36/901373636.db2.gz RYWYOJWMXAVWFA-GOSISDBHSA-N -1 3 393.447 3.894 20 0 GHADHM O[C@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826505312 901373647 /nfs/dbraw/zinc/37/36/47/901373647.db2.gz RYWYOJWMXAVWFA-GOSISDBHSA-N -1 3 393.447 3.894 20 0 GHADHM O=c1[n-]c(C2CCN(Cc3ccc(Oc4ccccc4F)c(F)c3)CC2)n[nH]1 ZINC000575901518 901449932 /nfs/dbraw/zinc/44/99/32/901449932.db2.gz ONJVLNXYTDEXJX-UHFFFAOYSA-N -1 3 386.402 3.960 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2csc3ccccc32)c(Br)cn1 ZINC001186455301 914537547 /nfs/dbraw/zinc/53/75/47/914537547.db2.gz RTYSQLKZAGOGLK-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000122550249 901796244 /nfs/dbraw/zinc/79/62/44/901796244.db2.gz KLEFKCSJMPFSPO-UHFFFAOYSA-N -1 3 385.464 3.753 20 0 GHADHM Nc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)c([O-])c1Cl ZINC000845193281 901930225 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GHADHM Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)Cc2ccc([O-])c(F)c2)C3)c1 ZINC001144625426 902501121 /nfs/dbraw/zinc/50/11/21/902501121.db2.gz FKHLGCGXQVRSSR-XXBNENTESA-N -1 3 398.478 3.623 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001144631253 902536114 /nfs/dbraw/zinc/53/61/14/902536114.db2.gz LVCRURQKCICSBH-UHFFFAOYSA-N -1 3 384.794 3.992 20 0 GHADHM C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1n1ccnc1 ZINC000129434943 902809576 /nfs/dbraw/zinc/80/95/76/902809576.db2.gz JRUIFBOSBCKSIN-ZFWWWQNUSA-N -1 3 395.488 3.524 20 0 GHADHM CCN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000846250546 902825815 /nfs/dbraw/zinc/82/58/15/902825815.db2.gz NUKMICDPPDMFOV-GOSISDBHSA-N -1 3 380.444 3.904 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001186624359 914668800 /nfs/dbraw/zinc/66/88/00/914668800.db2.gz GPETZNKCAGQYQX-VIFPVBQESA-N -1 3 396.793 3.802 20 0 GHADHM CCOC(=O)c1csc(C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000290477932 914698469 /nfs/dbraw/zinc/69/84/69/914698469.db2.gz QSTICBXFHUFPKX-UHFFFAOYSA-N -1 3 394.880 3.699 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCn2ccc3cc(Cl)ccc32)cc1 ZINC000806059982 903251268 /nfs/dbraw/zinc/25/12/68/903251268.db2.gz UZKZEYLGVLBUBR-UHFFFAOYSA-N -1 3 392.864 3.523 20 0 GHADHM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC001186665061 914718689 /nfs/dbraw/zinc/71/86/89/914718689.db2.gz FDOVXWYRFZKEIH-QFIPXVFZSA-N -1 3 395.480 3.874 20 0 GHADHM CC(C)C1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001146588531 903562711 /nfs/dbraw/zinc/56/27/11/903562711.db2.gz OCKUDVRWMAWTJD-UHFFFAOYSA-N -1 3 377.282 3.799 20 0 GHADHM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000265250629 903754656 /nfs/dbraw/zinc/75/46/56/903754656.db2.gz JMDBHJUKBMOIMU-VWLOTQADSA-N -1 3 395.546 3.709 20 0 GHADHM COC(=O)c1c(F)cc(Br)c([N-]C(=O)c2scnc2C)c1F ZINC001147386792 903775523 /nfs/dbraw/zinc/77/55/23/903775523.db2.gz NGOMFVPNPUQMPI-UHFFFAOYSA-N -1 3 391.193 3.531 20 0 GHADHM COc1ccc2c(c1)CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C2 ZINC001147547787 903818445 /nfs/dbraw/zinc/81/84/45/903818445.db2.gz ZWSICMJCSPVJHB-UHFFFAOYSA-N -1 3 389.477 3.697 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cc(Br)cs1 ZINC001147905796 903915789 /nfs/dbraw/zinc/91/57/89/903915789.db2.gz LSDFWULSMKZONS-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c1 ZINC000578517755 903928088 /nfs/dbraw/zinc/92/80/88/903928088.db2.gz VJWAUINZFRUXMZ-UHFFFAOYSA-N -1 3 391.880 3.899 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)[N-]c1nc(C2(C)CC2)ns1 ZINC001148112158 903976434 /nfs/dbraw/zinc/97/64/34/903976434.db2.gz HYCDBYIHYJGNRA-UHFFFAOYSA-N -1 3 392.481 3.768 20 0 GHADHM COc1cc(CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)ccc1OCCC(C)C ZINC000646681037 914770623 /nfs/dbraw/zinc/77/06/23/914770623.db2.gz DRTXZGHRPSQZCO-UHFFFAOYSA-N -1 3 383.448 3.632 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1OC1CCOCC1 ZINC000150761993 904017934 /nfs/dbraw/zinc/01/79/34/904017934.db2.gz FASTZUZITYGDQY-UHFFFAOYSA-N -1 3 378.428 3.647 20 0 GHADHM Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c([O-])c1 ZINC001148504585 904099271 /nfs/dbraw/zinc/09/92/71/904099271.db2.gz ZLOWIVFHBYDERH-UHFFFAOYSA-N -1 3 382.357 3.821 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)c1ccc([O-])c(C(C)=O)c1)c1cccc2ccccc21 ZINC001148668881 904165385 /nfs/dbraw/zinc/16/53/85/904165385.db2.gz MWXOPZLIBSRDDC-NRFANRHFSA-N -1 3 391.423 3.782 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578881393 904204912 /nfs/dbraw/zinc/20/49/12/904204912.db2.gz SBRNQWAXHDSFFE-GOSISDBHSA-N -1 3 391.475 3.968 20 0 GHADHM C[C@@]12CN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000578960088 904256436 /nfs/dbraw/zinc/25/64/36/904256436.db2.gz BYDVLTSHEPRYRS-AKSXLEGCSA-N -1 3 399.288 3.575 20 0 GHADHM O=S(=O)([N-]c1ccc(CO)cc1F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186773993 914798250 /nfs/dbraw/zinc/79/82/50/914798250.db2.gz PBUCBLNZUTUHTG-UHFFFAOYSA-N -1 3 399.749 3.671 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccc(C(C)(C)C)cc3)CC2)o1 ZINC000773290180 904684510 /nfs/dbraw/zinc/68/45/10/904684510.db2.gz MQPRFHCLXASXOA-UHFFFAOYSA-N -1 3 376.522 3.833 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000188277753 904898825 /nfs/dbraw/zinc/89/88/25/904898825.db2.gz YXLLPHVHARREGS-GHRIWEEISA-N -1 3 396.874 3.817 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001186860851 914869214 /nfs/dbraw/zinc/86/92/14/914869214.db2.gz SXHURZKDKKCQSL-UHFFFAOYSA-N -1 3 393.237 3.757 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1nc(Br)cs1 ZINC000189479177 905096120 /nfs/dbraw/zinc/09/61/20/905096120.db2.gz CIFXVRUKLAGEPW-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000901466843 921135246 /nfs/dbraw/zinc/13/52/46/921135246.db2.gz CGCMJQYGTMQAKL-SFHVURJKSA-N -1 3 392.297 3.772 20 0 GHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000628963238 906394425 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Cc1cc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c(C)s1 ZINC001174422259 907013170 /nfs/dbraw/zinc/01/31/70/907013170.db2.gz RRHOLJWMYCFLHZ-UHFFFAOYSA-N -1 3 390.486 3.935 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c(C)n1[C@H]1CCOC1 ZINC000629953774 907070559 /nfs/dbraw/zinc/07/05/59/907070559.db2.gz UHGCEDYWIIWMCL-INIZCTEOSA-N -1 3 384.867 3.784 20 0 GHADHM O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001174668004 907162435 /nfs/dbraw/zinc/16/24/35/907162435.db2.gz NVVPWLDZHXPOHE-UHFFFAOYSA-N -1 3 377.375 3.682 20 0 GHADHM C[C@@H](SCCN1CCOC1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000773409359 907222608 /nfs/dbraw/zinc/22/26/08/907222608.db2.gz PGCXVLOSCRCHFH-SNVBAGLBSA-N -1 3 391.474 3.903 20 0 GHADHM Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630436824 907276323 /nfs/dbraw/zinc/27/63/23/907276323.db2.gz SJMGUWICHKCCIZ-UHFFFAOYSA-N -1 3 377.510 3.517 20 0 GHADHM COc1cccc(C[C@@H](NCc2c(Cl)cccc2OC(F)F)C(=O)[O-])c1 ZINC000630464385 907293985 /nfs/dbraw/zinc/29/39/85/907293985.db2.gz WSQVQEFNRIAXDR-OAHLLOKOSA-N -1 3 385.794 3.736 20 0 GHADHM [O-]c1ccc(F)c(Nc2c(Br)cncc2Br)c1F ZINC001175260845 907473847 /nfs/dbraw/zinc/47/38/47/907473847.db2.gz CXWDNRSDQXOZNP-UHFFFAOYSA-N -1 3 379.986 3.756 20 0 GHADHM Cc1ccnc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000184057149 907507260 /nfs/dbraw/zinc/50/72/60/907507260.db2.gz PBJZMVGLSHQEFW-UHFFFAOYSA-N -1 3 388.855 3.632 20 0 GHADHM Brc1ccccc1-n1nccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427917 907548968 /nfs/dbraw/zinc/54/89/68/907548968.db2.gz RZJBUPQLUOBUBF-UHFFFAOYSA-N -1 3 382.225 3.559 20 0 GHADHM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299447765 921335308 /nfs/dbraw/zinc/33/53/08/921335308.db2.gz NKLFIEPYBFQDKQ-HNNXBMFYSA-N -1 3 378.428 3.633 20 0 GHADHM CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000192790927 907900134 /nfs/dbraw/zinc/90/01/34/907900134.db2.gz STEOYGOOONBUAF-NRFANRHFSA-N -1 3 388.439 3.588 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)C[C@H]2CCC2(F)F)oc1-c1ccc(Cl)cc1 ZINC000632087951 907929732 /nfs/dbraw/zinc/92/97/32/907929732.db2.gz LIWLUINRHPNRFI-GFCCVEGCSA-N -1 3 390.839 3.768 20 0 GHADHM Cc1cc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1-c1ccccc1 ZINC000186884719 908001436 /nfs/dbraw/zinc/00/14/36/908001436.db2.gz IMFMVXHXVRSBRX-UHFFFAOYSA-N -1 3 375.472 3.611 20 0 GHADHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C(F)F)o2)N(C)C)cc1 ZINC000632374674 908028411 /nfs/dbraw/zinc/02/84/11/908028411.db2.gz HNWBGFWHLWGSDL-CYBMUJFWSA-N -1 3 390.477 3.520 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)n1 ZINC000632464984 908041041 /nfs/dbraw/zinc/04/10/41/908041041.db2.gz DNMJXWFKJSVXDE-GFCCVEGCSA-N -1 3 377.491 3.541 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000187900918 908153302 /nfs/dbraw/zinc/15/33/02/908153302.db2.gz JGNFBDXUBXSWES-INIZCTEOSA-N -1 3 394.471 3.860 20 0 GHADHM COc1cc(CN(C/C=C\c2ccc(F)cc2F)CC(=O)[O-])cc(OC)c1 ZINC000901610121 921396570 /nfs/dbraw/zinc/39/65/70/921396570.db2.gz KKWLQWAYZSLCPI-ARJAWSKDSA-N -1 3 377.387 3.582 20 0 GHADHM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001176987722 908347328 /nfs/dbraw/zinc/34/73/28/908347328.db2.gz DEJNBPZLMOYESB-SFHVURJKSA-N -1 3 376.859 3.856 20 0 GHADHM C[C@H](SC[C@H](O)C(F)(F)F)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000191096288 908575876 /nfs/dbraw/zinc/57/58/76/908575876.db2.gz CPBJJFVFCUKKSC-XVKPBYJWSA-N -1 3 390.408 3.962 20 0 GHADHM COc1cc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)ccc1OCc1ccncc1 ZINC000192726216 908817051 /nfs/dbraw/zinc/81/70/51/908817051.db2.gz HEAGXSWKGMOQCK-CVEARBPZSA-N -1 3 394.475 3.885 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(C)C ZINC000193445815 908876256 /nfs/dbraw/zinc/87/62/56/908876256.db2.gz VLWWYSOCMVNJKL-RUZDIDTESA-N -1 3 395.546 3.806 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1csc(-c2ccccn2)n1 ZINC000194514879 908889270 /nfs/dbraw/zinc/88/92/70/908889270.db2.gz FHVIFHVWLNAEDP-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccccn3)n2)c(F)cc1F ZINC000195013882 908954878 /nfs/dbraw/zinc/95/48/78/908954878.db2.gz FBCBQZXMCCXGTR-UHFFFAOYSA-N -1 3 375.356 3.522 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266195303 909033133 /nfs/dbraw/zinc/03/31/33/909033133.db2.gz FZASMFWRKKNRGD-GOEBONIOSA-N -1 3 399.491 3.754 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000779926621 909074494 /nfs/dbraw/zinc/07/44/94/909074494.db2.gz PGCLTWDAZIVTOK-WMLDXEAASA-N -1 3 384.860 3.868 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000779926621 909074509 /nfs/dbraw/zinc/07/45/09/909074509.db2.gz PGCLTWDAZIVTOK-WMLDXEAASA-N -1 3 384.860 3.868 20 0 GHADHM COC(=O)CCC1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCCCC1 ZINC001178789201 909227939 /nfs/dbraw/zinc/22/79/39/909227939.db2.gz IGCPMYNTPQPBCH-UHFFFAOYSA-N -1 3 390.867 3.567 20 0 GHADHM CC(C)(C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC001178775174 909244163 /nfs/dbraw/zinc/24/41/63/909244163.db2.gz NKGFAKVEIKEWEE-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC001178775174 909244181 /nfs/dbraw/zinc/24/41/81/909244181.db2.gz NKGFAKVEIKEWEE-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM COc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1OC1CCCC1 ZINC001179075884 909375936 /nfs/dbraw/zinc/37/59/36/909375936.db2.gz KJWYQTOAVDWYSL-UHFFFAOYSA-N -1 3 387.436 3.557 20 0 GHADHM COc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1OC1CCCC1 ZINC001179075884 909375955 /nfs/dbraw/zinc/37/59/55/909375955.db2.gz KJWYQTOAVDWYSL-UHFFFAOYSA-N -1 3 387.436 3.557 20 0 GHADHM Cc1csc(Nc2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cc2)n1 ZINC000636109679 909430705 /nfs/dbraw/zinc/43/07/05/909430705.db2.gz DWKKRCPNVPFQGR-UHFFFAOYSA-N -1 3 383.477 3.664 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc(OCc3cccs3)c2)n1 ZINC000636115445 909437174 /nfs/dbraw/zinc/43/71/74/909437174.db2.gz QATUOSJIOFDKGC-UHFFFAOYSA-N -1 3 383.473 3.796 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)s1 ZINC001179445522 909526484 /nfs/dbraw/zinc/52/64/84/909526484.db2.gz XWNNNCLQMOVDSQ-XUOCYBMCSA-N -1 3 375.494 3.774 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318258 909535996 /nfs/dbraw/zinc/53/59/96/909535996.db2.gz RRXXSTCECYSTSE-ZTFGCOKTSA-N -1 3 375.513 3.543 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000636318344 909536118 /nfs/dbraw/zinc/53/61/18/909536118.db2.gz SJYUWUSDUPYIOV-UHFFFAOYSA-N -1 3 397.406 3.691 20 0 GHADHM O=C(CCOc1cccc(Cl)c1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318648 909537052 /nfs/dbraw/zinc/53/70/52/909537052.db2.gz CJYWMZXEOHSFHU-UHFFFAOYSA-N -1 3 396.274 3.842 20 0 GHADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319531 909539925 /nfs/dbraw/zinc/53/99/25/909539925.db2.gz UMVVIKDXWHXEJI-NSHDSACASA-N -1 3 395.381 3.552 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(-c3ccccn3)c2C)c([O-])c(OC)c1 ZINC001179882752 909804313 /nfs/dbraw/zinc/80/43/13/909804313.db2.gz AYCFZZKWFXUPCG-UHFFFAOYSA-N -1 3 392.411 3.810 20 0 GHADHM CCOc1cccc(C=CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001179954411 909864277 /nfs/dbraw/zinc/86/42/77/909864277.db2.gz JTOHZRISHIXMCK-QXMHVHEDSA-N -1 3 391.427 3.817 20 0 GHADHM CCOc1cccc(C=CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001179954411 909864290 /nfs/dbraw/zinc/86/42/90/909864290.db2.gz JTOHZRISHIXMCK-QXMHVHEDSA-N -1 3 391.427 3.817 20 0 GHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)[C@H]1c1ccccc1 ZINC001179954077 909864434 /nfs/dbraw/zinc/86/44/34/909864434.db2.gz CQJPPLCFIHHYSN-VHKYSDTDSA-N -1 3 375.428 3.755 20 0 GHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)[C@H]1c1ccccc1 ZINC001179954077 909864444 /nfs/dbraw/zinc/86/44/44/909864444.db2.gz CQJPPLCFIHHYSN-VHKYSDTDSA-N -1 3 375.428 3.755 20 0 GHADHM CC(C)c1coc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000637637409 909893113 /nfs/dbraw/zinc/89/31/13/909893113.db2.gz NENPSVMJFBAAAV-UHFFFAOYSA-N -1 3 383.305 3.789 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(c2ccccn2)[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC000637772817 909971625 /nfs/dbraw/zinc/97/16/25/909971625.db2.gz PZICXUSWTSWQJF-INIZCTEOSA-N -1 3 376.460 3.921 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c([O-])c1 ZINC001180184572 909980615 /nfs/dbraw/zinc/98/06/15/909980615.db2.gz PNUFHXPBKHHOHE-KRWDZBQOSA-N -1 3 383.400 3.588 20 0 GHADHM COc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc(OC)c1C(C)C ZINC001180221836 910021864 /nfs/dbraw/zinc/02/18/64/910021864.db2.gz MDZZFGAIWRCXTE-KOMQPUFPSA-N -1 3 399.491 3.779 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)s1 ZINC000268963632 910084316 /nfs/dbraw/zinc/08/43/16/910084316.db2.gz JLPZLBRHOCBHCL-NSHDSACASA-N -1 3 394.356 3.589 20 0 GHADHM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(Br)cc1C(F)(F)F ZINC000901779331 921557261 /nfs/dbraw/zinc/55/72/61/921557261.db2.gz KWOJTMWAHDVJQC-VIFPVBQESA-N -1 3 394.109 3.963 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC=C(C(C)(C)C)CC2)cc1OC ZINC000270239841 910491723 /nfs/dbraw/zinc/49/17/23/910491723.db2.gz KYNJZRCVOCOWIL-UHFFFAOYSA-N -1 3 395.525 3.667 20 0 GHADHM COc1c(Br)cccc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000901830489 921613418 /nfs/dbraw/zinc/61/34/18/921613418.db2.gz SZSLHZABTUYRFS-IBGZPJMESA-N -1 3 390.277 3.686 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N(Cc1cccs1)C1CC1 ZINC000640292883 910955268 /nfs/dbraw/zinc/95/52/68/910955268.db2.gz PPVBWTWEUUSILF-UHFFFAOYSA-N -1 3 378.807 3.779 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N=c2[n-]n(C)cc2Br)o1 ZINC000640313259 910964943 /nfs/dbraw/zinc/96/49/43/910964943.db2.gz HSRBMNYQTLGPTA-GWCFXTLKSA-N -1 3 381.274 3.511 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2COC2CCOCC2)c([O-])c1 ZINC000271594281 910975356 /nfs/dbraw/zinc/97/53/56/910975356.db2.gz SYOCXWRSWFUBAM-UHFFFAOYSA-N -1 3 399.443 3.517 20 0 GHADHM O=C(Cc1nc(NC(=O)C2c3ccccc3-c3ccccc32)n[n-]1)c1ccccc1 ZINC001181912459 911073597 /nfs/dbraw/zinc/07/35/97/911073597.db2.gz INUPGQOOVMAMMW-UHFFFAOYSA-N -1 3 394.434 3.981 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC001181961052 911105923 /nfs/dbraw/zinc/10/59/23/911105923.db2.gz VKGQEHAPTXHINS-HNNXBMFYSA-N -1 3 395.297 3.665 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](COC)c1ccc(F)c(F)c1 ZINC000774023206 911262823 /nfs/dbraw/zinc/26/28/23/911262823.db2.gz FCBJZEGDAHMGEX-MRXNPFEDSA-N -1 3 385.357 3.959 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000774083449 911367204 /nfs/dbraw/zinc/36/72/04/911367204.db2.gz WOCPFVRFRPDFQF-UHFFFAOYSA-N -1 3 388.386 3.752 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001182390125 911601934 /nfs/dbraw/zinc/60/19/34/911601934.db2.gz XMCBWMLHCNAYNJ-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001182390125 911601939 /nfs/dbraw/zinc/60/19/39/911601939.db2.gz XMCBWMLHCNAYNJ-UHFFFAOYSA-N -1 3 393.443 3.737 20 0 GHADHM CC[C@@H](C)Oc1cc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)ccc1OC ZINC000901879935 921680878 /nfs/dbraw/zinc/68/08/78/921680878.db2.gz UIQIYZZRVMDBAT-OAHLLOKOSA-N -1 3 387.480 3.604 20 0 GHADHM CC(=O)CCc1ccc2oc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c(C)c2c1 ZINC000642082789 911731143 /nfs/dbraw/zinc/73/11/43/911731143.db2.gz RUFWXTNKAXUCJB-UHFFFAOYSA-N -1 3 380.326 3.652 20 0 GHADHM CC(=O)CCc1ccc2oc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c(C)c2c1 ZINC000642082789 911731150 /nfs/dbraw/zinc/73/11/50/911731150.db2.gz RUFWXTNKAXUCJB-UHFFFAOYSA-N -1 3 380.326 3.652 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3F)cc2[nH]1 ZINC000642121290 911772691 /nfs/dbraw/zinc/77/26/91/911772691.db2.gz HJMJLTRFDDZUMN-UHFFFAOYSA-N -1 3 383.404 3.875 20 0 GHADHM CCc1cnc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)s1 ZINC000901898021 921714368 /nfs/dbraw/zinc/71/43/68/921714368.db2.gz XQDPRBGTNUZJQP-CABCVRRESA-N -1 3 395.322 3.768 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000795662127 912095357 /nfs/dbraw/zinc/09/53/57/912095357.db2.gz HAVQRCLXIXVKTR-UHFFFAOYSA-N -1 3 386.256 3.932 20 0 GHADHM CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182974454 912196430 /nfs/dbraw/zinc/19/64/30/912196430.db2.gz JBRHSKUUQHOCPK-SFHVURJKSA-N -1 3 393.487 3.521 20 0 GHADHM COc1ccc([C@H](C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)C(C)C)cc1 ZINC001182985611 912199289 /nfs/dbraw/zinc/19/92/89/912199289.db2.gz PSHLYHAVSGABRW-HXUWFJFHSA-N -1 3 392.459 3.617 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000291094000 914970391 /nfs/dbraw/zinc/97/03/91/914970391.db2.gz JQUPDUNJSSGYCZ-NWDGAFQWSA-N -1 3 391.821 3.501 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001187044531 914980652 /nfs/dbraw/zinc/98/06/52/914980652.db2.gz SODGMMZIQROYBS-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM CCOCCS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1Cl ZINC001187238080 915105299 /nfs/dbraw/zinc/10/52/99/915105299.db2.gz RAGLLENIRREJOK-UHFFFAOYSA-N -1 3 377.087 3.534 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC001187428602 915244758 /nfs/dbraw/zinc/24/47/58/915244758.db2.gz TZTRHIZUXVAQFH-UHFFFAOYSA-N -1 3 382.869 3.796 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1SCc1cccc(F)c1 ZINC001187778217 915489238 /nfs/dbraw/zinc/48/92/38/915489238.db2.gz LZIXQJQQYAWMKL-UHFFFAOYSA-N -1 3 385.464 3.828 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901968534 921777011 /nfs/dbraw/zinc/77/70/11/921777011.db2.gz UJXFNQXEZWRSMJ-HOTGVXAUSA-N -1 3 395.425 3.865 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000648189259 915539281 /nfs/dbraw/zinc/53/92/81/915539281.db2.gz PTMXIOZOSVTIIB-UHFFFAOYSA-N -1 3 384.413 3.548 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC001187914557 915593239 /nfs/dbraw/zinc/59/32/39/915593239.db2.gz IOSVJRJCJSCOOZ-UHFFFAOYSA-N -1 3 388.178 3.886 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2ccc(Cl)cc21)c1cc(C(F)(F)F)ccc1F ZINC001188104021 915759231 /nfs/dbraw/zinc/75/92/31/915759231.db2.gz ZYORTBGPINQQCN-GFCCVEGCSA-N -1 3 395.761 3.910 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl)c1cnccn1 ZINC001188193979 915804080 /nfs/dbraw/zinc/80/40/80/915804080.db2.gz MSMHTGPMNALRAV-SNVBAGLBSA-N -1 3 394.884 3.608 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1NC(=O)C1CCCCC1 ZINC001188193604 915804222 /nfs/dbraw/zinc/80/42/22/915804222.db2.gz CKTMFTFDFGONHF-UHFFFAOYSA-N -1 3 381.358 3.595 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1NC(=O)C1CCCCC1 ZINC001188193604 915804230 /nfs/dbraw/zinc/80/42/30/915804230.db2.gz CKTMFTFDFGONHF-UHFFFAOYSA-N -1 3 381.358 3.595 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1OC ZINC000902007480 921808497 /nfs/dbraw/zinc/80/84/97/921808497.db2.gz KQCKPPCPFZERLK-XEZPLFJOSA-N -1 3 398.297 3.542 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)OC ZINC001188426525 915936425 /nfs/dbraw/zinc/93/64/25/915936425.db2.gz HDXZOFOQWQNBEB-LLVKDONJSA-N -1 3 384.361 3.630 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000649120409 916030399 /nfs/dbraw/zinc/03/03/99/916030399.db2.gz WZYSHPVXSNBVSN-RPVQJOFSSA-N -1 3 388.464 3.545 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(Oc2cccnc2)cc1 ZINC001188605025 916052364 /nfs/dbraw/zinc/05/23/64/916052364.db2.gz WNCHGOXROKYIKJ-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2ccoc2)cc1Br ZINC001188614296 916056872 /nfs/dbraw/zinc/05/68/72/916056872.db2.gz RTIXDPCCSCTMCT-UHFFFAOYSA-N -1 3 395.072 3.914 20 0 GHADHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001188596850 916072569 /nfs/dbraw/zinc/07/25/69/916072569.db2.gz VBKSGZLJRYTRLW-HOTGVXAUSA-N -1 3 380.535 3.682 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nnn1C(C)C ZINC000293247814 916083121 /nfs/dbraw/zinc/08/31/21/916083121.db2.gz SUBXSGHZGGGARW-UHFFFAOYSA-N -1 3 376.873 3.515 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253537809 916085587 /nfs/dbraw/zinc/08/55/87/916085587.db2.gz DNDCSZLBCSLLIV-QWHCGFSZSA-N -1 3 375.494 3.647 20 0 GHADHM Cc1noc(C)c1CO[C@@H]1CCN(c2c(C(=O)[O-])cnc3c(C)c(C)ccc32)C1 ZINC000649393935 916137030 /nfs/dbraw/zinc/13/70/30/916137030.db2.gz FAKLLLBSXQKMRE-MRXNPFEDSA-N -1 3 395.459 3.950 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000649467537 916179188 /nfs/dbraw/zinc/17/91/88/916179188.db2.gz YZKRKIABGQMVOD-UHFFFAOYSA-N -1 3 390.244 3.574 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1F ZINC001188827301 916234319 /nfs/dbraw/zinc/23/43/19/916234319.db2.gz RWVCBCHLDDQMEH-UHFFFAOYSA-N -1 3 384.388 3.625 20 0 GHADHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1(C)C ZINC001188970596 916317462 /nfs/dbraw/zinc/31/74/62/916317462.db2.gz YWHQDYROTPJQNQ-CHWSQXEVSA-N -1 3 388.942 3.820 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@H]2C)cc1F ZINC001188995665 916330137 /nfs/dbraw/zinc/33/01/37/916330137.db2.gz WKGMRUCFOUVJNK-CWTRNNRKSA-N -1 3 381.444 3.965 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001189009576 916337458 /nfs/dbraw/zinc/33/74/58/916337458.db2.gz AVKOHRGLUJAONN-AWEZNQCLSA-N -1 3 381.444 3.680 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(F)c1 ZINC001189064649 916377751 /nfs/dbraw/zinc/37/77/51/916377751.db2.gz ZYAYEBNPHIPHAR-UHFFFAOYSA-N -1 3 385.844 3.640 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(-c3cc[nH]n3)c2)c([O-])c1 ZINC001189027034 916380876 /nfs/dbraw/zinc/38/08/76/916380876.db2.gz XMVOBJRZTGOYMD-UHFFFAOYSA-N -1 3 379.416 3.990 20 0 GHADHM CCOc1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cc(C(=O)OC)c1 ZINC001189109133 916384640 /nfs/dbraw/zinc/38/46/40/916384640.db2.gz SCHJECNCPJRATB-UHFFFAOYSA-N -1 3 397.880 3.510 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ncc(Br)cc1F ZINC001189073347 916389827 /nfs/dbraw/zinc/38/98/27/916389827.db2.gz PHGNRWVGUFCHOV-UHFFFAOYSA-N -1 3 393.665 3.621 20 0 GHADHM O=c1[nH]cc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001189141107 916424266 /nfs/dbraw/zinc/42/42/66/916424266.db2.gz BBLNBWRCCRLMJR-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM NC(=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC001189178779 916443099 /nfs/dbraw/zinc/44/30/99/916443099.db2.gz RKVPFVRFXKWCFH-UHFFFAOYSA-N -1 3 377.400 3.714 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)c1 ZINC001189235187 916484023 /nfs/dbraw/zinc/48/40/23/916484023.db2.gz IHJCVVNIJWKXRW-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(I)s2)CC1 ZINC001189322402 916552577 /nfs/dbraw/zinc/55/25/77/916552577.db2.gz YIGQRMASQDBRFT-VHSXEESVSA-N -1 3 399.319 3.600 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc([N-]C(=O)Nc2nccs2)on1 ZINC001189345502 916570584 /nfs/dbraw/zinc/57/05/84/916570584.db2.gz IBIWYHDDVOFQEX-LLVKDONJSA-N -1 3 379.442 3.847 20 0 GHADHM CCn1cc(CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C(C)C)cn1 ZINC000649989066 916600250 /nfs/dbraw/zinc/60/02/50/916600250.db2.gz ZKVVZAGHXVFGJO-UHFFFAOYSA-N -1 3 394.479 3.817 20 0 GHADHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC001189413248 916617910 /nfs/dbraw/zinc/61/79/10/916617910.db2.gz ROQXOYPTVYOVNC-GFCCVEGCSA-N -1 3 395.349 3.598 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC001189531400 916726837 /nfs/dbraw/zinc/72/68/37/916726837.db2.gz DZZCKHNKYOGTCX-UHFFFAOYSA-N -1 3 375.343 3.989 20 0 GHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc(S(=O)(=O)N(Cl)Cl)cc1 ZINC001189659239 916820184 /nfs/dbraw/zinc/82/01/84/916820184.db2.gz KDVVQQAYVLDJLJ-UHFFFAOYSA-N -1 3 395.651 3.596 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1F)c1cc(Br)ccc1Cl ZINC001189724784 916829711 /nfs/dbraw/zinc/82/97/11/916829711.db2.gz YHCLPDBELWCNIP-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(C(F)(F)F)ncc2Br)o1 ZINC001189705786 916850693 /nfs/dbraw/zinc/85/06/93/916850693.db2.gz NXAFKNSKCKWQGL-UHFFFAOYSA-N -1 3 393.163 3.796 20 0 GHADHM O=C(Nc1ccc(-n2ccccc2=O)cc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189765980 916901773 /nfs/dbraw/zinc/90/17/73/916901773.db2.gz GQTDTHPTJGXSSY-UHFFFAOYSA-N -1 3 390.317 3.694 20 0 GHADHM Cc1noc(-c2ccc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cc2)n1 ZINC001189765464 916902021 /nfs/dbraw/zinc/90/20/21/916902021.db2.gz BOHOUVUOZNHRCQ-UHFFFAOYSA-N -1 3 379.294 3.902 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000294890484 917035251 /nfs/dbraw/zinc/03/52/51/917035251.db2.gz UYRYBUHOAUGOLH-HUUCEWRRSA-N -1 3 399.491 3.706 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000650505235 917040964 /nfs/dbraw/zinc/04/09/64/917040964.db2.gz XITJFMAUWPVFOV-HTAPYJJXSA-N -1 3 398.528 3.551 20 0 GHADHM CCOC(=O)c1c(C)nsc1[N-]C(=O)c1sc(C)nc1C(F)(F)F ZINC001190489126 917347211 /nfs/dbraw/zinc/34/72/11/917347211.db2.gz SZUFJJSSWZPVJR-UHFFFAOYSA-N -1 3 379.385 3.664 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001190646687 917475286 /nfs/dbraw/zinc/47/52/86/917475286.db2.gz LGNFTRNDKRGKGN-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@]1(C)CC(C)C ZINC000295776840 917484292 /nfs/dbraw/zinc/48/42/92/917484292.db2.gz LLTREAGLOORLGQ-JOCHJYFZSA-N -1 3 382.508 3.912 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651264953 917558349 /nfs/dbraw/zinc/55/83/49/917558349.db2.gz VCXQOCVKAPFDGL-CHWSQXEVSA-N -1 3 390.427 3.842 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000651539710 917651429 /nfs/dbraw/zinc/65/14/29/917651429.db2.gz LLKSQPXJIJNVTG-MNOVXSKESA-N -1 3 396.203 3.519 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1cccc2ccccc21 ZINC001190918355 917662022 /nfs/dbraw/zinc/66/20/22/917662022.db2.gz QVVJQGZRQHGSMM-KRWDZBQOSA-N -1 3 384.819 3.628 20 0 GHADHM C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccccc1F ZINC000651793916 917711151 /nfs/dbraw/zinc/71/11/51/917711151.db2.gz RYAZKWJEAYYHBZ-OQPBUACISA-N -1 3 398.308 3.736 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000296130505 917882761 /nfs/dbraw/zinc/88/27/61/917882761.db2.gz RBDHACKADVPCAG-UHFFFAOYSA-N -1 3 377.238 3.695 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC(F)(F)C1 ZINC000652745884 918000944 /nfs/dbraw/zinc/00/09/44/918000944.db2.gz NHPWEGNQKVEOGR-SFHVURJKSA-N -1 3 388.414 3.511 20 0 GHADHM O=C(Nc1cc(C(F)F)ccc1F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000652826850 918023146 /nfs/dbraw/zinc/02/31/46/918023146.db2.gz NMQMVPJSHPQWAP-OAHLLOKOSA-N -1 3 378.350 3.712 20 0 GHADHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(F)(F)F)cc1 ZINC001191613060 918100411 /nfs/dbraw/zinc/10/04/11/918100411.db2.gz QHSAFAFGOYDUCW-UHFFFAOYSA-N -1 3 392.786 3.519 20 0 GHADHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC001191865358 918249104 /nfs/dbraw/zinc/24/91/04/918249104.db2.gz SPUTVPWUUZVUDR-ZDUSSCGKSA-N -1 3 382.309 3.638 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1ccc(F)c(F)c1Br ZINC001191867042 918271518 /nfs/dbraw/zinc/27/15/18/918271518.db2.gz QGKWXKRVNNWBJO-UHFFFAOYSA-N -1 3 399.014 3.594 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C1CCCCCC1 ZINC001191896808 918287264 /nfs/dbraw/zinc/28/72/64/918287264.db2.gz TUTZTYOFKUDQTG-AWEZNQCLSA-N -1 3 393.958 3.890 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)ccc1Cl ZINC001191904102 918294375 /nfs/dbraw/zinc/29/43/75/918294375.db2.gz PAZWXBTYKNLXRP-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1 ZINC001192084891 918381187 /nfs/dbraw/zinc/38/11/87/918381187.db2.gz PKPDVDWQBCETEW-UHFFFAOYSA-N -1 3 398.459 3.962 20 0 GHADHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000119359137 919621268 /nfs/dbraw/zinc/62/12/68/919621268.db2.gz UMEIMRRBTNWEJM-VQTJNVASSA-N -1 3 392.499 3.649 20 0 GHADHM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NCc1ccc(Cl)cc1F ZINC000900057859 919782859 /nfs/dbraw/zinc/78/28/59/919782859.db2.gz RQUCXVCGBYXXEP-KRWDZBQOSA-N -1 3 379.815 3.546 20 0 GHADHM Cc1sc(CCNCc2cc(Cl)ccc2Br)nc1C(=O)[O-] ZINC000900059183 919783469 /nfs/dbraw/zinc/78/34/69/919783469.db2.gz JHOPFWNXNUKUDJ-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000298343133 920425400 /nfs/dbraw/zinc/42/54/00/920425400.db2.gz PEMBVQRJFINDHV-GFCCVEGCSA-N -1 3 381.398 3.970 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCC(=O)OC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000800914963 920596967 /nfs/dbraw/zinc/59/69/67/920596967.db2.gz CYYFRGJTEVLOPN-UHFFFAOYSA-N -1 3 398.463 3.545 20 0 GHADHM CCNC(=O)COc1ccc(NCc2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000298682329 920801283 /nfs/dbraw/zinc/80/12/83/920801283.db2.gz CEKISVWZSNDYKI-UHFFFAOYSA-N -1 3 378.856 3.571 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)C2)c(Cl)cc1Cl ZINC000801257373 920878758 /nfs/dbraw/zinc/87/87/58/920878758.db2.gz WCZOBJSNZQCKJS-LLVKDONJSA-N -1 3 393.336 3.552 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(/C=C\C(=O)[O-])o3)C2)cc1 ZINC000901429418 921098825 /nfs/dbraw/zinc/09/88/25/921098825.db2.gz PTNOZTLVHLPXNR-QXPKXGMISA-N -1 3 397.475 3.720 20 0 GHADHM COc1cc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)ccc1OC(F)F ZINC000902084842 921868363 /nfs/dbraw/zinc/86/83/63/921868363.db2.gz YRUMLYBYLGFBBN-UHFFFAOYSA-N -1 3 395.402 3.667 20 0 GHADHM CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902201601 921979840 /nfs/dbraw/zinc/97/98/40/921979840.db2.gz LDCRINKMDXVPRP-OAHLLOKOSA-N -1 3 386.414 3.532 20 0 GHADHM COc1ccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1Br ZINC000902211797 921991459 /nfs/dbraw/zinc/99/14/59/921991459.db2.gz XCKKZRVPSACHRX-LBPRGKRZSA-N -1 3 394.265 3.599 20 0 GHADHM Cc1ccc(N2CCC[C@@H](NCc3ccnc4c(C(=O)[O-])cccc34)C2=O)cc1 ZINC000902326815 922092297 /nfs/dbraw/zinc/09/22/97/922092297.db2.gz XSSYKUWHCONWJH-HXUWFJFHSA-N -1 3 389.455 3.527 20 0 GHADHM C[C@@H](Cn1ncc2ccccc21)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000802821313 922438314 /nfs/dbraw/zinc/43/83/14/922438314.db2.gz NHVSJQJJGAHCJV-ZDUSSCGKSA-N -1 3 377.366 3.939 20 0 GHADHM C[C@H]1COCC[C@H]1C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902935749 922617157 /nfs/dbraw/zinc/61/71/57/922617157.db2.gz VPPVFDOQKUFVQI-IUCAKERBSA-N -1 3 386.748 3.634 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1F ZINC000803643552 923116034 /nfs/dbraw/zinc/11/60/34/923116034.db2.gz LNRKMYJAPRNOGV-SECBINFHSA-N -1 3 380.204 3.827 20 0 GHADHM CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C[C@@](C)(O)C(=O)[O-] ZINC000903608611 923124135 /nfs/dbraw/zinc/12/41/35/923124135.db2.gz YERXUPCAXHXORG-LJQANCHMSA-N -1 3 381.831 3.929 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2Cc3ccccc3OC3(CCC3)C2)cc1 ZINC000903628267 923137292 /nfs/dbraw/zinc/13/72/92/923137292.db2.gz WTCFUDXKQXRLCW-FLIBITNWSA-N -1 3 379.456 3.981 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c1 ZINC000903911596 923393358 /nfs/dbraw/zinc/39/33/58/923393358.db2.gz KFWQUJLAGGRLKM-WSTZPKSXSA-N -1 3 384.451 3.972 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000903917611 923398150 /nfs/dbraw/zinc/39/81/50/923398150.db2.gz VZBRGDTYCONLQC-TWGQIWQCSA-N -1 3 398.528 3.988 20 0 GHADHM Cc1cc(C)n(-c2ccc(CN3CCC(C(=O)[O-])(C(F)(F)F)CC3)cc2)n1 ZINC000903921673 923400332 /nfs/dbraw/zinc/40/03/32/923400332.db2.gz OXRGBSSCJSUUOP-UHFFFAOYSA-N -1 3 381.398 3.718 20 0 GHADHM Cc1ccnc(C2CCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)CC2)n1 ZINC000903961269 923439205 /nfs/dbraw/zinc/43/92/05/923439205.db2.gz SZGXBQPSXCOTJZ-MRXNPFEDSA-N -1 3 379.382 3.809 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749156531 924053306 /nfs/dbraw/zinc/05/33/06/924053306.db2.gz BBKNBFZLWNUSDC-UHFFFAOYSA-N -1 3 392.868 3.510 20 0 GHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000749157508 924054013 /nfs/dbraw/zinc/05/40/13/924054013.db2.gz OEACGVCJEJJCCF-UHFFFAOYSA-N -1 3 383.260 3.683 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CCC1 ZINC000677390779 924348002 /nfs/dbraw/zinc/34/80/02/924348002.db2.gz CZMLAQLNERLBBA-GFCCVEGCSA-N -1 3 379.888 3.594 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)c3ccncc3)cc2)cc(=O)[n-]1 ZINC000678143353 924631744 /nfs/dbraw/zinc/63/17/44/924631744.db2.gz WRXATTSGCOKWPW-UHFFFAOYSA-N -1 3 377.448 3.652 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCOC[C@@H]1c1ccco1 ZINC000678310418 924718748 /nfs/dbraw/zinc/71/87/48/924718748.db2.gz HKWBZZMJZPVIEK-HXUWFJFHSA-N -1 3 377.440 3.984 20 0 GHADHM CCCn1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nn1 ZINC000678319848 924723345 /nfs/dbraw/zinc/72/33/45/924723345.db2.gz IDHZKAIBQWJTAW-UHFFFAOYSA-N -1 3 379.445 3.923 20 0 GHADHM CCCCC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1 ZINC000827103070 924752880 /nfs/dbraw/zinc/75/28/80/924752880.db2.gz DENOJTBOHIIWPI-QGZVFWFLSA-N -1 3 392.521 3.890 20 0 GHADHM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(Br)ccc1F ZINC000409930448 925154765 /nfs/dbraw/zinc/15/47/65/925154765.db2.gz FDNCMYKTPDGAGL-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000410207196 925401359 /nfs/dbraw/zinc/40/13/59/925401359.db2.gz WGBVTNOHUNPEBH-DGCLKSJQSA-N -1 3 393.228 3.504 20 0 GHADHM COc1cccc(CC2CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)c1 ZINC000680320954 925440951 /nfs/dbraw/zinc/44/09/51/925440951.db2.gz BCDSODHXMUQKEN-UHFFFAOYSA-N -1 3 385.460 3.513 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000410329790 925546619 /nfs/dbraw/zinc/54/66/19/925546619.db2.gz UKCJGFOTCJMNAY-UHFFFAOYSA-N -1 3 377.853 3.725 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCS3)no2)ccc1F ZINC000680762765 925597494 /nfs/dbraw/zinc/59/74/94/925597494.db2.gz AFTKZIUDOMBDLC-GFCCVEGCSA-N -1 3 385.486 3.521 20 0 GHADHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])c(F)c1 ZINC000681019452 925695462 /nfs/dbraw/zinc/69/54/62/925695462.db2.gz NUCNZZGJDJOICC-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM CCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000372792478 925709167 /nfs/dbraw/zinc/70/91/67/925709167.db2.gz GYXYUKNRSNIGLX-UHFFFAOYSA-N -1 3 399.882 3.772 20 0 GHADHM Cc1nc([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)no1 ZINC000372969895 925792455 /nfs/dbraw/zinc/79/24/55/925792455.db2.gz ZNYIKQIZUWKGNN-OAHLLOKOSA-N -1 3 378.215 3.910 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2ccccn2)nc1 ZINC001137446415 925824789 /nfs/dbraw/zinc/82/47/89/925824789.db2.gz UPIJJCMBQZKMTN-UHFFFAOYSA-N -1 3 384.233 3.542 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000682392043 926096647 /nfs/dbraw/zinc/09/66/47/926096647.db2.gz RJLYNNRKXVNTRQ-KGLIPLIRSA-N -1 3 393.484 3.653 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CCC2CCCCC2)ccc1F ZINC000725745993 926423697 /nfs/dbraw/zinc/42/36/97/926423697.db2.gz WWLGCLLVXBKCSN-UHFFFAOYSA-N -1 3 384.517 3.555 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(C(F)(F)F)cc2)ccc1F ZINC000725992470 926523137 /nfs/dbraw/zinc/52/31/37/926523137.db2.gz DHBPHLWFEVVKFE-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccc1N1CCSCC1 ZINC000726519158 926721794 /nfs/dbraw/zinc/72/17/94/926721794.db2.gz QGAUKTXNDGSTDI-UHFFFAOYSA-N -1 3 399.541 3.897 20 0 GHADHM CCOC(=O)C(CC)(CC)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411760796 926741997 /nfs/dbraw/zinc/74/19/97/926741997.db2.gz SXRWIKIRNZKGOB-UHFFFAOYSA-N -1 3 389.477 3.868 20 0 GHADHM CC(C)OC(=O)[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(C)C ZINC000411786177 926760932 /nfs/dbraw/zinc/76/09/32/926760932.db2.gz JNNKEAUUOFUPHH-INIZCTEOSA-N -1 3 389.477 3.723 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001276200555 927233894 /nfs/dbraw/zinc/23/38/94/927233894.db2.gz ZTGQPTRJMLYIPH-QZTJIDSGSA-N -1 3 376.884 3.546 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000749959759 927371271 /nfs/dbraw/zinc/37/12/71/927371271.db2.gz PKZKIOHHKDPUJC-WMZOPIPTSA-N -1 3 388.508 3.952 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cc1[O-] ZINC000412383669 927394832 /nfs/dbraw/zinc/39/48/32/927394832.db2.gz YZOHLQBJIKJCOA-OAHLLOKOSA-N -1 3 388.261 3.987 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1C)C(C)C ZINC000751086619 928022372 /nfs/dbraw/zinc/02/23/72/928022372.db2.gz SGZGBAIAHRNWST-INIZCTEOSA-N -1 3 396.896 3.506 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000751127275 928041391 /nfs/dbraw/zinc/04/13/91/928041391.db2.gz KKORLZHUPNCGOL-UHFFFAOYSA-N -1 3 385.489 3.565 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCC3CCC(F)(F)CC3)[n-]c(=O)c12 ZINC000412996223 928088507 /nfs/dbraw/zinc/08/85/07/928088507.db2.gz UALRZZMEERAKFQ-UHFFFAOYSA-N -1 3 383.420 3.743 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C(C)C)sc1Br ZINC000751245348 928091078 /nfs/dbraw/zinc/09/10/78/928091078.db2.gz FBHVTZWVOOVXCO-ZDUSSCGKSA-N -1 3 389.340 3.890 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1[O-] ZINC000751416089 928180788 /nfs/dbraw/zinc/18/07/88/928180788.db2.gz OTVQIJXQEHMVOL-QGZVFWFLSA-N -1 3 378.472 3.711 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(C)c1F ZINC000543960693 928620042 /nfs/dbraw/zinc/62/00/42/928620042.db2.gz QPHJZRHVGDWFNU-UHFFFAOYSA-N -1 3 386.448 3.929 20 0 GHADHM CCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H](CC)c1ccccc1 ZINC000752409709 928814803 /nfs/dbraw/zinc/81/48/03/928814803.db2.gz YTBMMPLYEAFKTL-SFHVURJKSA-N -1 3 392.496 3.737 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000467251314 928874375 /nfs/dbraw/zinc/87/43/75/928874375.db2.gz OXXHXHKMUMNORZ-UHFFFAOYSA-N -1 3 398.488 3.765 20 0 GHADHM O=C(Nc1cccc2c1COC2=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000752869104 929065283 /nfs/dbraw/zinc/06/52/83/929065283.db2.gz XHYPETUBPVRLNC-UHFFFAOYSA-N -1 3 375.380 3.894 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000467762531 929384236 /nfs/dbraw/zinc/38/42/36/929384236.db2.gz BJDICRMVQMOBOS-SFHVURJKSA-N -1 3 395.459 3.878 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000544673208 929421091 /nfs/dbraw/zinc/42/10/91/929421091.db2.gz WZCYWUUISKMKDE-CYBMUJFWSA-N -1 3 389.498 3.770 20 0 GHADHM CC(C)c1ccccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000469256563 929739022 /nfs/dbraw/zinc/73/90/22/929739022.db2.gz RKFRQIONQCRCGQ-UHFFFAOYSA-N -1 3 384.295 3.757 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000757673042 929767158 /nfs/dbraw/zinc/76/71/58/929767158.db2.gz WSXFNXHILZPLKJ-VXGBXAGGSA-N -1 3 399.451 3.706 20 0 GHADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469399929 929850600 /nfs/dbraw/zinc/85/06/00/929850600.db2.gz NHGKPMKQFAUHHX-UHFFFAOYSA-N -1 3 386.467 3.958 20 0 GHADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469427809 929876660 /nfs/dbraw/zinc/87/66/60/929876660.db2.gz IINMKIULDYLRDU-RXBISOJRSA-N -1 3 377.481 3.811 20 0 GHADHM COc1ccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c(Br)c1[O-] ZINC000546206709 929957317 /nfs/dbraw/zinc/95/73/17/929957317.db2.gz CQHQTWWNGMRTPW-INIZCTEOSA-N -1 3 377.238 3.668 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)c1ccc(Cl)c(F)c1 ZINC000758475667 930056687 /nfs/dbraw/zinc/05/66/87/930056687.db2.gz CTPROCXNMWPHQB-OAGJVSPASA-N -1 3 397.855 3.592 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000759098297 930272671 /nfs/dbraw/zinc/27/26/71/930272671.db2.gz AAFJIDMYHOGNHC-GOEBONIOSA-N -1 3 376.497 3.720 20 0 GHADHM COC1CCC(CC(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000759708146 930460888 /nfs/dbraw/zinc/46/08/88/930460888.db2.gz HDLAXUAFSUKKHG-UHFFFAOYSA-N -1 3 389.233 3.531 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccc(O)cc3C)cs2)c1 ZINC000546871944 930502153 /nfs/dbraw/zinc/50/21/53/930502153.db2.gz UTNHIDCQBWNNOU-UHFFFAOYSA-N -1 3 397.456 3.605 20 0 GHADHM CS[C@@H]1CC[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000780589426 930554450 /nfs/dbraw/zinc/55/44/50/930554450.db2.gz KXPPBIBYLFUEOW-SXLOBPIMSA-N -1 3 398.528 3.654 20 0 GHADHM Cc1nc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])ccc1[C@H](C)O ZINC000781011417 930670729 /nfs/dbraw/zinc/67/07/29/930670729.db2.gz RYEOHWHSFIMQIB-HNNXBMFYSA-N -1 3 378.428 3.871 20 0 GHADHM CC(C)[C@H]1C[C@@H](CC(=O)[N-]OCc2ccc(F)cc2Br)CCO1 ZINC000781120423 930707051 /nfs/dbraw/zinc/70/70/51/930707051.db2.gz YZPAMWVWDXDBQX-BLLLJJGKSA-N -1 3 388.277 3.977 20 0 GHADHM COC(=O)c1ccc2[nH]cc(C(=O)COC(=O)c3cc4ccsc4[n-]3)c2c1 ZINC000781135528 930712134 /nfs/dbraw/zinc/71/21/34/930712134.db2.gz PWYVSFHSICWTBV-UHFFFAOYSA-N -1 3 382.397 3.537 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000470606590 930747256 /nfs/dbraw/zinc/74/72/56/930747256.db2.gz NPMVLAMQSCIISA-APHBMKBZSA-N -1 3 383.897 3.877 20 0 GHADHM Cc1cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccc1N1CCC[C@@H](C)C1 ZINC000547266264 930864466 /nfs/dbraw/zinc/86/44/66/930864466.db2.gz LIAUGJOCSDYDCK-CYBMUJFWSA-N -1 3 393.491 3.985 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc(Br)c1 ZINC000781987120 931053045 /nfs/dbraw/zinc/05/30/45/931053045.db2.gz ALFUASQGROZXLF-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM Cc1cc(-n2c(C)cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)c2C)no1 ZINC000782522041 931255049 /nfs/dbraw/zinc/25/50/49/931255049.db2.gz WVFKOEXCNHUJRN-UHFFFAOYSA-N -1 3 394.387 3.503 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782712249 931310528 /nfs/dbraw/zinc/31/05/28/931310528.db2.gz QMIYFKCXRCWPLX-UHFFFAOYSA-N -1 3 395.346 3.902 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1Cl ZINC000783064697 931399646 /nfs/dbraw/zinc/39/96/46/931399646.db2.gz UUNIWIOECYNVHZ-GFCCVEGCSA-N -1 3 388.807 3.915 20 0 GHADHM CCN(CC)[C@@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000783584551 931588936 /nfs/dbraw/zinc/58/89/36/931588936.db2.gz AJIZUROBINVMIH-LJQANCHMSA-N -1 3 381.432 3.569 20 0 GHADHM O=S(=O)([N-]CCNc1nccc2occc21)c1cccc(Cl)c1Cl ZINC000557690808 931614647 /nfs/dbraw/zinc/61/46/47/931614647.db2.gz CWOHKFMZSWVAJT-UHFFFAOYSA-N -1 3 386.260 3.525 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1csc(Cl)c1 ZINC000697566231 931674933 /nfs/dbraw/zinc/67/49/33/931674933.db2.gz ZGFFUQPGGCFVCC-SNVBAGLBSA-N -1 3 398.916 3.773 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1c(F)cccc1Br ZINC000783997567 931746736 /nfs/dbraw/zinc/74/67/36/931746736.db2.gz JOJPSYRMKNXFPO-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000784387619 931877374 /nfs/dbraw/zinc/87/73/74/931877374.db2.gz YRYOTVHCIBFHFT-UHFFFAOYSA-N -1 3 396.790 3.638 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/Sc1cc(F)ccc1F ZINC000797808755 932413644 /nfs/dbraw/zinc/41/36/44/932413644.db2.gz PHYSVUSSVBLMLD-CMDGGOBGSA-N -1 3 384.429 3.581 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)c3c[n-]c4c(Cl)cc(Br)cc4c3=O)C[C@@H]21 ZINC000559276891 932573139 /nfs/dbraw/zinc/57/31/39/932573139.db2.gz ZWVNYWGXPWYJHV-TXEJJXNPSA-N -1 3 395.684 3.672 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000777628673 932611904 /nfs/dbraw/zinc/61/19/04/932611904.db2.gz XFWGHLKOZKLSRB-KRWDZBQOSA-N -1 3 376.478 3.565 20 0 GHADHM CC(C)C1CCC(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798440803 932648540 /nfs/dbraw/zinc/64/85/40/932648540.db2.gz DZXWISWEVGEVMW-UHFFFAOYSA-N -1 3 391.478 3.549 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000799213296 932918796 /nfs/dbraw/zinc/91/87/96/932918796.db2.gz SAWUOHRAVGASQM-UHFFFAOYSA-N -1 3 388.424 3.530 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnc(OCC4CC4)cn3)s2)c(C)c1 ZINC000560057135 933041888 /nfs/dbraw/zinc/04/18/88/933041888.db2.gz HQCJRRCNQCOFSX-UHFFFAOYSA-N -1 3 381.461 3.653 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC3CC(C)(C)CC(C)(C)C3)c(=O)c2c(OC)c1 ZINC000626377151 933060321 /nfs/dbraw/zinc/06/03/21/933060321.db2.gz GIWOQHRAJQUVGU-UHFFFAOYSA-N -1 3 386.492 3.880 20 0 GHADHM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(-c2ccnn2C)c1 ZINC001118026931 934080523 /nfs/dbraw/zinc/08/05/23/934080523.db2.gz LGCKXPLSZVWSHW-UHFFFAOYSA-N -1 3 376.460 3.656 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1cccnc1C(F)(F)F ZINC000561479772 934202067 /nfs/dbraw/zinc/20/20/67/934202067.db2.gz QFVUJODKTQJPEY-UHFFFAOYSA-N -1 3 384.301 3.598 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)s1 ZINC001120942980 934539361 /nfs/dbraw/zinc/53/93/61/934539361.db2.gz LYXBRCWVRHDWAH-UHFFFAOYSA-N -1 3 377.857 3.679 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000778046304 934783105 /nfs/dbraw/zinc/78/31/05/934783105.db2.gz MLAUOPHCNJHJJC-ZDUSSCGKSA-N -1 3 384.288 3.836 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)N=c3cc4ccccn4[n-]3)cn2)c1 ZINC000562295723 934810256 /nfs/dbraw/zinc/81/02/56/934810256.db2.gz FEGOTFHBQHEDFH-UHFFFAOYSA-N -1 3 387.443 3.882 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCOc2c(F)cccc21)c1cnc(Cl)c(Cl)c1 ZINC000778067602 934824105 /nfs/dbraw/zinc/82/41/05/934824105.db2.gz XVCJBGOGWNBNBA-CYBMUJFWSA-N -1 3 391.251 3.720 20 0 GHADHM O=C(OC[C@H]1CC(=O)N(C2CCCCC2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123254029 935131079 /nfs/dbraw/zinc/13/10/79/935131079.db2.gz HCDJISHEPPXEQP-LBPRGKRZSA-N -1 3 391.418 3.839 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2c(OC)ccnc2OC)s1)c1ccccc1 ZINC001125004695 935506260 /nfs/dbraw/zinc/50/62/60/935506260.db2.gz RYRUIVYWPBIVDE-CYBMUJFWSA-N -1 3 384.461 3.745 20 0 GHADHM COc1nnc(NC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)[n-]1 ZINC001137567383 935590556 /nfs/dbraw/zinc/59/05/56/935590556.db2.gz APDFUODILXCCRG-AWEZNQCLSA-N -1 3 393.230 3.879 20 0 GHADHM COc1nc(NC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n[n-]1 ZINC001137567383 935590561 /nfs/dbraw/zinc/59/05/61/935590561.db2.gz APDFUODILXCCRG-AWEZNQCLSA-N -1 3 393.230 3.879 20 0 GHADHM COc1n[n-]c(NC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 ZINC001137567383 935590568 /nfs/dbraw/zinc/59/05/68/935590568.db2.gz APDFUODILXCCRG-AWEZNQCLSA-N -1 3 393.230 3.879 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(-n2cccc2)ccc1Cl ZINC000828208691 935592677 /nfs/dbraw/zinc/59/26/77/935592677.db2.gz BJUDPKSUIVNTHS-UHFFFAOYSA-N -1 3 382.851 3.824 20 0 GHADHM CCOc1ccc2ccccc2c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000828210490 935594080 /nfs/dbraw/zinc/59/40/80/935594080.db2.gz UARWJTMRPPBCHX-UHFFFAOYSA-N -1 3 377.444 3.932 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1cnc(N2CCCCC2)s1 ZINC000828635191 935680869 /nfs/dbraw/zinc/68/08/69/935680869.db2.gz ALYNNVMMNLCILZ-UHFFFAOYSA-N -1 3 388.276 3.808 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000830051255 935894477 /nfs/dbraw/zinc/89/44/77/935894477.db2.gz DDAXWQTXQFZLSS-KGLIPLIRSA-N -1 3 394.537 3.880 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1F ZINC001138011653 935926737 /nfs/dbraw/zinc/92/67/37/935926737.db2.gz CEQPIZZJJHCTEV-ZDUSSCGKSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1F ZINC001138011653 935926743 /nfs/dbraw/zinc/92/67/43/935926743.db2.gz CEQPIZZJJHCTEV-ZDUSSCGKSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])nc1 ZINC001138016927 935929804 /nfs/dbraw/zinc/92/98/04/935929804.db2.gz YFOSUWSHQPHTPX-UHFFFAOYSA-N -1 3 393.237 3.757 20 0 GHADHM CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)c(Br)c2F)cc1 ZINC001573546670 946813595 /nfs/dbraw/zinc/81/35/95/946813595.db2.gz LDEIKVPKYFZCHD-UHFFFAOYSA-N -1 3 392.188 3.519 20 0 GHADHM CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)c(Br)c2F)cc1 ZINC001573546670 946813607 /nfs/dbraw/zinc/81/36/07/946813607.db2.gz LDEIKVPKYFZCHD-UHFFFAOYSA-N -1 3 392.188 3.519 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC001573550519 946861345 /nfs/dbraw/zinc/86/13/45/946861345.db2.gz AJKMNAPDFPBCLI-KRWDZBQOSA-N -1 3 377.448 3.838 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC001573550519 946861362 /nfs/dbraw/zinc/86/13/62/946861362.db2.gz AJKMNAPDFPBCLI-KRWDZBQOSA-N -1 3 377.448 3.838 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001573550540 946864641 /nfs/dbraw/zinc/86/46/41/946864641.db2.gz AZMGAKVVKNOMOQ-WCQYABFASA-N -1 3 395.385 3.767 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001573550540 946864652 /nfs/dbraw/zinc/86/46/52/946864652.db2.gz AZMGAKVVKNOMOQ-WCQYABFASA-N -1 3 395.385 3.767 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001573363823 947713849 /nfs/dbraw/zinc/71/38/49/947713849.db2.gz DNPMVXBMDFABAN-BUHFOSPRSA-N -1 3 377.423 3.995 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001573363823 947713855 /nfs/dbraw/zinc/71/38/55/947713855.db2.gz DNPMVXBMDFABAN-BUHFOSPRSA-N -1 3 377.423 3.995 20 0 GHADHM Cc1ccc(Br)c2[nH]c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc21 ZINC001440734399 948518048 /nfs/dbraw/zinc/51/80/48/948518048.db2.gz FFHHGWPQMHUWRF-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1ccc(Br)c2[nH]c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc21 ZINC001440734399 948518055 /nfs/dbraw/zinc/51/80/55/948518055.db2.gz FFHHGWPQMHUWRF-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM CSc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1Br ZINC001470790157 948534080 /nfs/dbraw/zinc/53/40/80/948534080.db2.gz YLDXPTDXJJBIMA-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CSc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1Br ZINC001470790157 948534087 /nfs/dbraw/zinc/53/40/87/948534087.db2.gz YLDXPTDXJJBIMA-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001574420239 948796509 /nfs/dbraw/zinc/79/65/09/948796509.db2.gz RNWRHBYKXMYZCX-OAHLLOKOSA-N -1 3 379.464 3.589 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001574420239 948796519 /nfs/dbraw/zinc/79/65/19/948796519.db2.gz RNWRHBYKXMYZCX-OAHLLOKOSA-N -1 3 379.464 3.589 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cccc(C2CC2)c1 ZINC001574083022 948871174 /nfs/dbraw/zinc/87/11/74/948871174.db2.gz NXFMMRUFGLKLOL-LJQANCHMSA-N -1 3 378.432 3.753 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cccc(C2CC2)c1 ZINC001574083022 948871195 /nfs/dbraw/zinc/87/11/95/948871195.db2.gz NXFMMRUFGLKLOL-LJQANCHMSA-N -1 3 378.432 3.753 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001575501755 949013874 /nfs/dbraw/zinc/01/38/74/949013874.db2.gz FGPCSQOFBLHFAM-QMMMGPOBSA-N -1 3 395.319 3.937 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001575501755 949013892 /nfs/dbraw/zinc/01/38/92/949013892.db2.gz FGPCSQOFBLHFAM-QMMMGPOBSA-N -1 3 395.319 3.937 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1F ZINC001575503254 949042493 /nfs/dbraw/zinc/04/24/93/949042493.db2.gz NUVNHPORVLBIHD-SCLBCKFNSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1F ZINC001575503254 949042516 /nfs/dbraw/zinc/04/25/16/949042516.db2.gz NUVNHPORVLBIHD-SCLBCKFNSA-N -1 3 397.479 3.996 20 0 GHADHM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001574092690 949074115 /nfs/dbraw/zinc/07/41/15/949074115.db2.gz SHGBPMWFNANXOU-IRXDYDNUSA-N -1 3 378.432 3.994 20 0 GHADHM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001574092690 949074137 /nfs/dbraw/zinc/07/41/37/949074137.db2.gz SHGBPMWFNANXOU-IRXDYDNUSA-N -1 3 378.432 3.994 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575504729 949082363 /nfs/dbraw/zinc/08/23/63/949082363.db2.gz WXEHSRJJYIGMQM-KUHUBIRLSA-N -1 3 393.516 3.682 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575504729 949082383 /nfs/dbraw/zinc/08/23/83/949082383.db2.gz WXEHSRJJYIGMQM-KUHUBIRLSA-N -1 3 393.516 3.682 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575512486 949137142 /nfs/dbraw/zinc/13/71/42/949137142.db2.gz NMBGOYIMYVLZNT-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575512486 949137154 /nfs/dbraw/zinc/13/71/54/949137154.db2.gz NMBGOYIMYVLZNT-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Cl)c(Cl)c1N ZINC001575513771 949155341 /nfs/dbraw/zinc/15/53/41/949155341.db2.gz SWAGZLHQXSEXFH-SECBINFHSA-N -1 3 391.262 3.589 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Cl)c(Cl)c1N ZINC001575513771 949155355 /nfs/dbraw/zinc/15/53/55/949155355.db2.gz SWAGZLHQXSEXFH-SECBINFHSA-N -1 3 391.262 3.589 20 0 GHADHM CC(C)(C(=O)Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788517 949194184 /nfs/dbraw/zinc/19/41/84/949194184.db2.gz LBBADESNCOMPEH-UHFFFAOYSA-N -1 3 397.389 3.528 20 0 GHADHM CC(C)(C(=O)Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788517 949194195 /nfs/dbraw/zinc/19/41/95/949194195.db2.gz LBBADESNCOMPEH-UHFFFAOYSA-N -1 3 397.389 3.528 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001576157211 949479180 /nfs/dbraw/zinc/47/91/80/949479180.db2.gz ZFTLAYDSJBGHPB-QWRGUYRKSA-N -1 3 398.389 3.713 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001576157211 949479188 /nfs/dbraw/zinc/47/91/88/949479188.db2.gz ZFTLAYDSJBGHPB-QWRGUYRKSA-N -1 3 398.389 3.713 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001576157568 949486170 /nfs/dbraw/zinc/48/61/70/949486170.db2.gz RKMKIZBAYORTGZ-CRAIPNDOSA-N -1 3 391.475 3.612 20 0 GHADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001576157568 949486183 /nfs/dbraw/zinc/48/61/83/949486183.db2.gz RKMKIZBAYORTGZ-CRAIPNDOSA-N -1 3 391.475 3.612 20 0 GHADHM C[C@H]1CCCC[C@H]1OCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001576166465 949580588 /nfs/dbraw/zinc/58/05/88/949580588.db2.gz LRTMTGWUWLBRKM-ZUZCIYMTSA-N -1 3 398.280 3.776 20 0 GHADHM C[C@H]1CCCC[C@H]1OCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001576166465 949580601 /nfs/dbraw/zinc/58/06/01/949580601.db2.gz LRTMTGWUWLBRKM-ZUZCIYMTSA-N -1 3 398.280 3.776 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC001575276795 949732940 /nfs/dbraw/zinc/73/29/40/949732940.db2.gz LPILSQYNLVHFQU-CQSZACIVSA-N -1 3 389.434 3.969 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC001575276795 949732964 /nfs/dbraw/zinc/73/29/64/949732964.db2.gz LPILSQYNLVHFQU-CQSZACIVSA-N -1 3 389.434 3.969 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573853422 950321278 /nfs/dbraw/zinc/32/12/78/950321278.db2.gz OUTSYFIJGMSYIZ-LLVKDONJSA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573853422 950321299 /nfs/dbraw/zinc/32/12/99/950321299.db2.gz OUTSYFIJGMSYIZ-LLVKDONJSA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)C[C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC001574168159 950507104 /nfs/dbraw/zinc/50/71/04/950507104.db2.gz QITXMQXDUJTGKN-QFBILLFUSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)C[C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC001574168159 950507121 /nfs/dbraw/zinc/50/71/21/950507121.db2.gz QITXMQXDUJTGKN-QFBILLFUSA-N -1 3 385.512 3.555 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)c1cccc(F)c1 ZINC001576216929 950744325 /nfs/dbraw/zinc/74/43/25/950744325.db2.gz KEZCHMHXQYUQQH-OLZOCXBDSA-N -1 3 394.454 3.658 20 0 GHADHM C[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)c1cccc(F)c1 ZINC001576216929 950744341 /nfs/dbraw/zinc/74/43/41/950744341.db2.gz KEZCHMHXQYUQQH-OLZOCXBDSA-N -1 3 394.454 3.658 20 0 GHADHM CC(C)(C)c1csc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001573884011 950779581 /nfs/dbraw/zinc/77/95/81/950779581.db2.gz CCIOSJGJUMTSHT-UHFFFAOYSA-N -1 3 389.868 3.701 20 0 GHADHM CC(C)(C)c1csc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001573884011 950779592 /nfs/dbraw/zinc/77/95/92/950779592.db2.gz CCIOSJGJUMTSHT-UHFFFAOYSA-N -1 3 389.868 3.701 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCc4sccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576218294 950783897 /nfs/dbraw/zinc/78/38/97/950783897.db2.gz QDOGMKCYPSGIAJ-BXUZGUMPSA-N -1 3 394.504 3.507 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCc4sccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576218294 950783919 /nfs/dbraw/zinc/78/39/19/950783919.db2.gz QDOGMKCYPSGIAJ-BXUZGUMPSA-N -1 3 394.504 3.507 20 0 GHADHM CC(C)(C)c1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC001573885546 950833170 /nfs/dbraw/zinc/83/31/70/950833170.db2.gz ZASMZCVFDAMUMY-UHFFFAOYSA-N -1 3 399.458 3.874 20 0 GHADHM CC(C)(C)c1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC001573885546 950833186 /nfs/dbraw/zinc/83/31/86/950833186.db2.gz ZASMZCVFDAMUMY-UHFFFAOYSA-N -1 3 399.458 3.874 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575185748 952435113 /nfs/dbraw/zinc/43/51/13/952435113.db2.gz VLXZHMGSALWAAR-OAHLLOKOSA-N -1 3 395.532 3.732 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575185748 952435119 /nfs/dbraw/zinc/43/51/19/952435119.db2.gz VLXZHMGSALWAAR-OAHLLOKOSA-N -1 3 395.532 3.732 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001575187317 952440170 /nfs/dbraw/zinc/44/01/70/952440170.db2.gz BGUREAZGVJXAKQ-OAHLLOKOSA-N -1 3 399.458 3.823 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001575187317 952440174 /nfs/dbraw/zinc/44/01/74/952440174.db2.gz BGUREAZGVJXAKQ-OAHLLOKOSA-N -1 3 399.458 3.823 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001575189335 952455374 /nfs/dbraw/zinc/45/53/74/952455374.db2.gz OPUMOKUXUNRTEL-LBPRGKRZSA-N -1 3 395.850 3.761 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001575189335 952455377 /nfs/dbraw/zinc/45/53/77/952455377.db2.gz OPUMOKUXUNRTEL-LBPRGKRZSA-N -1 3 395.850 3.761 20 0 GHADHM C[C@H](Cc1ccsc1)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001575202975 952518229 /nfs/dbraw/zinc/51/82/29/952518229.db2.gz RZBMNMZJGJGODC-OAHLLOKOSA-N -1 3 395.532 3.830 20 0 GHADHM C[C@H](Cc1ccsc1)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001575202975 952518233 /nfs/dbraw/zinc/51/82/33/952518233.db2.gz RZBMNMZJGJGODC-OAHLLOKOSA-N -1 3 395.532 3.830 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccc(-c3cccc(F)c3F)o1)O2 ZINC001594906001 954677313 /nfs/dbraw/zinc/67/73/13/954677313.db2.gz VRXPXMKZRGOLFT-HHGQXBFMSA-N -1 3 377.387 3.727 20 0 GHADHM Cc1ccc(-c2csc(CN3C[C@@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)n2)cc1 ZINC001574347701 960971151 /nfs/dbraw/zinc/97/11/51/960971151.db2.gz KTNQDWZSNAMOPC-SJORKVTESA-N -1 3 396.516 3.542 20 0 GHADHM C[C@@H]1C[C@H]1c1noc(CC2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)n1 ZINC001347091053 962379847 /nfs/dbraw/zinc/37/98/47/962379847.db2.gz OAMDNTCFRLPFDJ-DWQUBVKVSA-N -1 3 389.883 3.927 20 0 GHADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)n1 ZINC001347091055 962380089 /nfs/dbraw/zinc/38/00/89/962380089.db2.gz OAMDNTCFRLPFDJ-MRAWALMUSA-N -1 3 389.883 3.927 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001526727173 962885893 /nfs/dbraw/zinc/88/58/93/962885893.db2.gz JOYPSUMLIZIYMJ-HNNXBMFYSA-N -1 3 383.286 3.515 20 0 GHADHM C[C@H]1[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000312648056 963580516 /nfs/dbraw/zinc/58/05/16/963580516.db2.gz KLWRJUNQBUBGRG-SCLBCKFNSA-N -1 3 387.867 3.823 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])N2CCCC2)cc1 ZINC001341355119 969751716 /nfs/dbraw/zinc/75/17/16/969751716.db2.gz YQAAZCCRSPPZPV-WOJBJXKFSA-N -1 3 387.524 3.561 20 0 GHADHM O=C([O-])C1(CNCc2cc(Br)sc2Br)CCC1 ZINC001605958323 972924961 /nfs/dbraw/zinc/92/49/61/972924961.db2.gz OUKUHOMIITYZPI-UHFFFAOYSA-N -1 3 383.105 3.618 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398001900 973049411 /nfs/dbraw/zinc/04/94/11/973049411.db2.gz WSCFVJTYBNFMBC-SCLBCKFNSA-N -1 3 387.867 3.823 20 0 GHADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC1CCC(C)(N2CCOCC2)CC1 ZINC001591771757 975899549 /nfs/dbraw/zinc/89/95/49/975899549.db2.gz FDVVCDADGQXFGM-UHFFFAOYSA-N -1 3 376.497 3.617 20 0 GHADHM C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592463641 978190296 /nfs/dbraw/zinc/19/02/96/978190296.db2.gz GCOILHPOXCGDLM-FRRDWIJNSA-N -1 3 383.514 3.670 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000832040548 979037400 /nfs/dbraw/zinc/03/74/00/979037400.db2.gz GLRPYFABJPMUQS-KRWDZBQOSA-N -1 3 383.366 3.980 20 0 GHADHM O=C([O-])c1ccsc1N1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000833341301 979165190 /nfs/dbraw/zinc/16/51/90/979165190.db2.gz MOHDCPAAQOBIJM-SJORKVTESA-N -1 3 388.464 3.822 20 0 GHADHM C[C@](CO)(NCCOc1ccccc1C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750868 979317691 /nfs/dbraw/zinc/31/76/91/979317691.db2.gz WETDTNXXBVCKSV-GOSISDBHSA-N -1 3 384.259 3.568 20 0 GHADHM CC[C@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595278209 980309708 /nfs/dbraw/zinc/30/97/08/980309708.db2.gz BJPCPJFUPATFIR-ACJLOTCBSA-N -1 3 388.439 3.991 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836874 982745561 /nfs/dbraw/zinc/74/55/61/982745561.db2.gz OIXFWDZOLXIOHC-XLIONFOSSA-N -1 3 395.931 3.619 20 0 GHADHM CCCN(CCc1cccs1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595884489 982907404 /nfs/dbraw/zinc/90/74/04/982907404.db2.gz ZUPRFLACAYBIKT-OAHLLOKOSA-N -1 3 378.519 3.568 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001596250469 983655082 /nfs/dbraw/zinc/65/50/82/983655082.db2.gz ZXVFVLVEANCLHI-AWEZNQCLSA-N -1 3 386.496 3.756 20 0 GHADHM CCOC(=O)C(CC)(CC)CNCc1ccc(C(=O)[O-])cc1Br ZINC001596525469 984323050 /nfs/dbraw/zinc/32/30/50/984323050.db2.gz HSOCIQHLAGRBSM-UHFFFAOYSA-N -1 3 386.286 3.606 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-]C3(C(F)(F)F)CCCCC3)c3cccc1c23 ZINC000544837475 1015083124 /nfs/dbraw/zinc/08/31/24/1015083124.db2.gz SDFCWYZXJTVHSP-UHFFFAOYSA-N -1 3 398.406 3.949 20 0 GHADHM CC(C)c1oc([C@H]2CCCN2c2nc3[nH][n-]cc-3c(=N)n2)nc1-c1ccccc1 ZINC000544846875 1015094539 /nfs/dbraw/zinc/09/45/39/1015094539.db2.gz SHRZMWZSBHETDO-OAHLLOKOSA-N -1 3 389.463 3.837 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000468011312 1015138090 /nfs/dbraw/zinc/13/80/90/1015138090.db2.gz HZERLUPHCKQFBS-UHFFFAOYSA-N -1 3 392.246 3.661 20 0 GHADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(SCc2ccccc2)c1 ZINC001594524771 986026455 /nfs/dbraw/zinc/02/64/55/986026455.db2.gz DCCFCKDACCCQDN-GOSISDBHSA-N -1 3 384.545 3.960 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001594544480 986199971 /nfs/dbraw/zinc/19/99/71/986199971.db2.gz HXRBAPXAYFMFRR-GOSISDBHSA-N -1 3 395.503 3.690 20 0 GHADHM CCOc1cc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)ccc1O ZINC001597035923 986473442 /nfs/dbraw/zinc/47/34/42/986473442.db2.gz QBXFQEOOZJRTOX-UHFFFAOYSA-N -1 3 384.457 3.902 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC001589468023 986928607 /nfs/dbraw/zinc/92/86/07/986928607.db2.gz FQSGBHRFPUCOFG-DIFFPNOSSA-N -1 3 388.265 3.877 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001589469414 986941956 /nfs/dbraw/zinc/94/19/56/986941956.db2.gz LGMOMJGUNYGIHJ-PIGZYNQJSA-N -1 3 381.259 3.984 20 0 GHADHM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001589650914 987599133 /nfs/dbraw/zinc/59/91/33/987599133.db2.gz OVWVQQKTMHCPBK-GOSISDBHSA-N -1 3 381.472 3.866 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c(=O)[n-]1 ZINC000545009863 1015362404 /nfs/dbraw/zinc/36/24/04/1015362404.db2.gz HREKVLFIBOBGJX-UHFFFAOYSA-N -1 3 394.353 3.519 20 0 GHADHM CSc1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC001599812347 988358742 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Cc1ccc2ncc([O-])c(C(=O)N3CCc4c([nH]nc4C(F)(F)F)C3)c2c1 ZINC001154530723 1032166683 /nfs/dbraw/zinc/16/66/83/1032166683.db2.gz TVZWJGXZEQJVDI-INIZCTEOSA-N -1 3 376.338 3.746 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc2c(Br)c[nH]c2c1 ZINC001154714343 1032250568 /nfs/dbraw/zinc/25/05/68/1032250568.db2.gz SGFKURKXCIIEAK-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc([O-])ccc1Cl ZINC001154720972 1032256022 /nfs/dbraw/zinc/25/60/22/1032256022.db2.gz QVPLYFXKLAUJIP-CHWSQXEVSA-N -1 3 382.888 3.669 20 0 GHADHM O=C(CCCc1ccc(Br)s1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797243 1032287627 /nfs/dbraw/zinc/28/76/27/1032287627.db2.gz LHHMKOVOOOMIDC-UHFFFAOYSA-N -1 3 396.310 3.523 20 0 GHADHM CCOc1cc(C(=O)N[C@@H](C)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1[O-] ZINC001155001493 1032374890 /nfs/dbraw/zinc/37/48/90/1032374890.db2.gz ZJWPUQFHBPRKHK-JTQLQIEISA-N -1 3 389.839 3.820 20 0 GHADHM COc1ccc2c(c1)CC[C@@H](Oc1cccc([O-])c1I)C2 ZINC001227377337 1032394925 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GHADHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([O-])c1 ZINC000567883013 1019350527 /nfs/dbraw/zinc/35/05/27/1019350527.db2.gz RJQGSTIODMRKHC-KRWDZBQOSA-N -1 3 381.350 3.813 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[O-] ZINC000569124944 1019466931 /nfs/dbraw/zinc/46/69/31/1019466931.db2.gz ZFXMVAICTOFYCB-ZBFHGGJFSA-N -1 3 377.444 3.927 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)c1[O-] ZINC000570706592 1019634722 /nfs/dbraw/zinc/63/47/22/1019634722.db2.gz YZOHKZXGIYPODU-UHFFFAOYSA-N -1 3 396.424 3.742 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1cccc(Cl)c1 ZINC000572922711 1019817273 /nfs/dbraw/zinc/81/72/73/1019817273.db2.gz YAJZJARFICQIIN-CQSZACIVSA-N -1 3 385.869 3.766 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000575933856 1019959096 /nfs/dbraw/zinc/95/90/96/1019959096.db2.gz XRCLHBIMTARFMT-UHFFFAOYSA-N -1 3 388.265 3.631 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)c(C)c1C 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381.691 3.873 20 0 GHADHM CN1CCC[C@H](CNc2ncc(C(=O)[O-])s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000630459093 1020824658 /nfs/dbraw/zinc/82/46/58/1020824658.db2.gz YNCKQVSIOVMLHL-IUODEOHRSA-N -1 3 399.438 3.777 20 0 GHADHM CC(C)c1cnn2cc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])cnc12 ZINC001156236172 1032935955 /nfs/dbraw/zinc/93/59/55/1032935955.db2.gz XAVBJZZHTZKGHA-UHFFFAOYSA-N -1 3 396.447 3.766 20 0 GHADHM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000194145064 1020962905 /nfs/dbraw/zinc/96/29/05/1020962905.db2.gz KUOPBSVVDQXFEH-UHFFFAOYSA-N -1 3 375.393 3.796 20 0 GHADHM COc1cccc([C@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2)N2CCCC2)c1 ZINC000739946628 1021017187 /nfs/dbraw/zinc/01/71/87/1021017187.db2.gz VYSDCSSZBQSYOY-IBGZPJMESA-N -1 3 398.463 3.744 20 0 GHADHM C[C@H](COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000748253984 1021678080 /nfs/dbraw/zinc/67/80/80/1021678080.db2.gz ZLIBNCHWEFLEJE-DYVFJYSZSA-N -1 3 395.377 3.995 20 0 GHADHM O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001204640723 1033008137 /nfs/dbraw/zinc/00/81/37/1033008137.db2.gz SPSYCJXGVAZBFO-UHFFFAOYSA-N -1 3 396.821 3.880 20 0 GHADHM Cc1[nH]c(CN2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)c1C(=O)[O-] ZINC001140500319 1021875873 /nfs/dbraw/zinc/87/58/73/1021875873.db2.gz ARNYHPNNQNSMTG-NRFANRHFSA-N -1 3 391.512 3.553 20 0 GHADHM O=C([O-])c1ccccc1CN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001140503856 1021886458 /nfs/dbraw/zinc/88/64/58/1021886458.db2.gz ADTJZKVGRCLOGE-UHFFFAOYSA-N -1 3 380.366 3.606 20 0 GHADHM O=C([O-])c1ccccc1CN1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001140506454 1021889630 /nfs/dbraw/zinc/88/96/30/1021889630.db2.gz LGCIYYZHQNIJSO-UHFFFAOYSA-N -1 3 381.863 3.909 20 0 GHADHM CC(C)(C)Sc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000835140133 1021918060 /nfs/dbraw/zinc/91/80/60/1021918060.db2.gz BOFCLPMFXTVJHR-UHFFFAOYSA-N -1 3 394.443 3.816 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001228625917 1033015706 /nfs/dbraw/zinc/01/57/06/1033015706.db2.gz UZWCZNBJNYGEIS-ZIAGYGMSSA-N -1 3 389.448 3.974 20 0 GHADHM O=C(Cc1ccccc1O[C@H]1CCOC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000827169211 1021930995 /nfs/dbraw/zinc/93/09/95/1021930995.db2.gz ISOHGIRWNQUSNQ-KRWDZBQOSA-N -1 3 395.377 3.664 20 0 GHADHM CC(=O)N1CCCCC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001140548684 1021950045 /nfs/dbraw/zinc/95/00/45/1021950045.db2.gz SHAQQVSCGLTSGY-UHFFFAOYSA-N -1 3 381.314 3.522 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(Br)cc1 ZINC001228714291 1033059047 /nfs/dbraw/zinc/05/90/47/1033059047.db2.gz PRUFWSWXHIJQHW-JTQLQIEISA-N -1 3 397.294 3.773 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1OC1CC(c2ccccc2Cl)C1 ZINC001228714956 1033060468 /nfs/dbraw/zinc/06/04/68/1033060468.db2.gz ZIUPNSPTYBPKOR-UHFFFAOYSA-N -1 3 378.881 3.849 20 0 GHADHM COc1cc(C(=O)OCc2cc(F)ccc2Br)cc(OC)c1[O-] ZINC000754267737 1022569846 /nfs/dbraw/zinc/56/98/46/1022569846.db2.gz OJUXZQBGLLDIBN-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM COc1cc(C(=O)OCCCC(=O)Nc2c(C)cccc2C)cc(OC)c1[O-] ZINC000754275745 1022576849 /nfs/dbraw/zinc/57/68/49/1022576849.db2.gz JYRXQPROWWBSER-UHFFFAOYSA-N -1 3 387.432 3.602 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1 ZINC001140889769 1022806886 /nfs/dbraw/zinc/80/68/86/1022806886.db2.gz ZWIKJXAGHDTJFO-HXUWFJFHSA-N -1 3 392.471 3.860 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000836289596 1022830338 /nfs/dbraw/zinc/83/03/38/1022830338.db2.gz KXRWMYPPCKLGJD-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000836289596 1022830359 /nfs/dbraw/zinc/83/03/59/1022830359.db2.gz KXRWMYPPCKLGJD-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM O=C(CN1CCC(Oc2[n-]c(=S)nc3ccccc32)CC1)c1cccs1 ZINC001228767409 1033087041 /nfs/dbraw/zinc/08/70/41/1033087041.db2.gz ZGACRNCJJNCHRY-UHFFFAOYSA-N -1 3 385.514 3.706 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@H]21 ZINC001140943929 1022948280 /nfs/dbraw/zinc/94/82/80/1022948280.db2.gz IZAVMYOHNXYHNW-ZWKOTPCHSA-N -1 3 398.459 3.697 20 0 GHADHM CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140993291 1023115280 /nfs/dbraw/zinc/11/52/80/1023115280.db2.gz KHGUCHGRSRSIJH-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM O=C([N-][C@H]1CCc2c1ccc(F)c2Br)C(F)(F)C1(O)CCCC1 ZINC001141009975 1023197474 /nfs/dbraw/zinc/19/74/74/1023197474.db2.gz YVSVENCUMXNGPM-LBPRGKRZSA-N -1 3 392.215 3.632 20 0 GHADHM CCC[C@H]1CN(CCOc2ccccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000836691867 1023261478 /nfs/dbraw/zinc/26/14/78/1023261478.db2.gz BOSOBOBVVNQLGQ-FQEVSTJZSA-N -1 3 382.504 3.750 20 0 GHADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228857514 1033139521 /nfs/dbraw/zinc/13/95/21/1033139521.db2.gz MSSMPZPMOWDSJN-CYBMUJFWSA-N -1 3 375.465 3.936 20 0 GHADHM CCCCn1nc(C)c(CNCCCc2nc(C)c(C(=O)[O-])s2)c1Cl ZINC000756299520 1023583573 /nfs/dbraw/zinc/58/35/73/1023583573.db2.gz HKBBAJZKTSZIFZ-UHFFFAOYSA-N -1 3 384.933 3.831 20 0 GHADHM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000756363348 1023607932 /nfs/dbraw/zinc/60/79/32/1023607932.db2.gz PHSGSCZIKQSKSL-LLVKDONJSA-N -1 3 375.158 3.562 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000756813370 1023824934 /nfs/dbraw/zinc/82/49/34/1023824934.db2.gz QSPKBZMWKCVSNG-ZJUUUORDSA-N -1 3 387.274 3.643 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000830697326 1024085272 /nfs/dbraw/zinc/08/52/72/1024085272.db2.gz IAQUVKFIFNTCCO-KXBFYZLASA-N -1 3 375.465 3.982 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(OC2CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000830751047 1024131499 /nfs/dbraw/zinc/13/14/99/1024131499.db2.gz SOLKPNJSMMHOCO-ZDUSSCGKSA-N -1 3 391.493 3.698 20 0 GHADHM CCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccc21 ZINC001138141683 1024217492 /nfs/dbraw/zinc/21/74/92/1024217492.db2.gz OFRLGWFDIFFXNU-UHFFFAOYSA-N -1 3 395.846 3.733 20 0 GHADHM [O-]c1cc(Br)cnc1O[C@@H]1COc2c1cccc2Br ZINC001228956667 1033199543 /nfs/dbraw/zinc/19/95/43/1033199543.db2.gz PXQNSABAFFNENN-LLVKDONJSA-N -1 3 387.027 3.825 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)OCc3cc(=O)[n-]c(C4CC4)n3)o2)cc1 ZINC000837406945 1024428610 /nfs/dbraw/zinc/42/86/10/1024428610.db2.gz OCFOSNINNRMUNK-UHFFFAOYSA-N -1 3 379.416 3.699 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000837497887 1024507332 /nfs/dbraw/zinc/50/73/32/1024507332.db2.gz UHWVVKIXQVCJRU-UHFFFAOYSA-N -1 3 385.420 3.603 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)c(C)c1 ZINC001138279569 1024538397 /nfs/dbraw/zinc/53/83/97/1024538397.db2.gz FPDNRUXBUWIRRS-UHFFFAOYSA-N -1 3 382.229 3.696 20 0 GHADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837655758 1024613391 /nfs/dbraw/zinc/61/33/91/1024613391.db2.gz JNDMLBFHCKHFKX-SNVBAGLBSA-N -1 3 382.338 3.589 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC001156755187 1033224558 /nfs/dbraw/zinc/22/45/58/1033224558.db2.gz ASNNAJGYCLDJDL-JOCHJYFZSA-N -1 3 387.439 3.740 20 0 GHADHM CCOC(=O)[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(OC)c(F)c1 ZINC001138315826 1024641905 /nfs/dbraw/zinc/64/19/05/1024641905.db2.gz FPLHSHOREADMAG-LJQANCHMSA-N -1 3 389.423 3.698 20 0 GHADHM CCOCc1nc(C)c(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000837949501 1024835999 /nfs/dbraw/zinc/83/59/99/1024835999.db2.gz BLMUZXJZTJWKJZ-UHFFFAOYSA-N -1 3 385.445 3.508 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc(O)c(F)c3)nc(=O)c2c1C ZINC000838140753 1024942335 /nfs/dbraw/zinc/94/23/35/1024942335.db2.gz BEHTXEXWFXGUDV-SECBINFHSA-N -1 3 376.409 3.705 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838142461 1024942941 /nfs/dbraw/zinc/94/29/41/1024942941.db2.gz ZPEPURLRMLGHCA-LLVKDONJSA-N -1 3 395.814 3.615 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)Cc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000838141834 1024943030 /nfs/dbraw/zinc/94/30/30/1024943030.db2.gz SIQPSQRQAYPNTA-GFCCVEGCSA-N -1 3 379.815 3.914 20 0 GHADHM CC(C)[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1Cl ZINC000838143718 1024943764 /nfs/dbraw/zinc/94/37/64/1024943764.db2.gz YZZZNIOUODTMDR-SFHVURJKSA-N -1 3 379.815 3.934 20 0 GHADHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001138645343 1025154851 /nfs/dbraw/zinc/15/48/51/1025154851.db2.gz YHSIAIAZRDAODR-UHFFFAOYSA-N -1 3 399.373 3.633 20 0 GHADHM COCCOc1cc(NCc2cccc([O-])c2Br)ccc1OC ZINC000838866346 1025406341 /nfs/dbraw/zinc/40/63/41/1025406341.db2.gz AZMRFSANJSERLE-UHFFFAOYSA-N -1 3 382.254 3.801 20 0 GHADHM [O-]c1cccc(CNc2ccc(N3CCOCC3)c(F)c2)c1Br ZINC000838881405 1025416975 /nfs/dbraw/zinc/41/69/75/1025416975.db2.gz AKYNWMWIVCFUAC-UHFFFAOYSA-N -1 3 381.245 3.743 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1(Cl)Cl ZINC000832364648 1025489496 /nfs/dbraw/zinc/48/94/96/1025489496.db2.gz KXUOILMGGZTLOD-AWEZNQCLSA-N -1 3 396.723 3.721 20 0 GHADHM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001141615918 1025906159 /nfs/dbraw/zinc/90/61/59/1025906159.db2.gz SOXRENBKUPRZRH-RCZVLFRGSA-N -1 3 387.479 3.879 20 0 GHADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885551 1025954382 /nfs/dbraw/zinc/95/43/82/1025954382.db2.gz UWDIRXCHZGIGCA-ZDUSSCGKSA-N -1 3 380.448 3.731 20 0 GHADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885551 1025954387 /nfs/dbraw/zinc/95/43/87/1025954387.db2.gz UWDIRXCHZGIGCA-ZDUSSCGKSA-N -1 3 380.448 3.731 20 0 GHADHM COc1cccc(CN2CC[C@H](c3ccccc3Cl)C2)c1OCC(=O)[O-] ZINC001139271425 1026118896 /nfs/dbraw/zinc/11/88/96/1026118896.db2.gz HOJSPGBEUUGDMF-AWEZNQCLSA-N -1 3 375.852 3.802 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000839948475 1026368382 /nfs/dbraw/zinc/36/83/82/1026368382.db2.gz XWYXAOHTMISIOM-IBGZPJMESA-N -1 3 380.872 3.661 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)C(=O)OCc1ccccc1 ZINC001164117812 1026425632 /nfs/dbraw/zinc/42/56/32/1026425632.db2.gz LUOUTCDAJUQZIW-GFCCVEGCSA-N -1 3 397.805 3.689 20 0 GHADHM O=C(c1cc(F)cc(Nc2cccc([O-])c2Br)c1)N1CCOCC1 ZINC001203003442 1026894633 /nfs/dbraw/zinc/89/46/33/1026894633.db2.gz PGMJLKQMSNIPLM-UHFFFAOYSA-N -1 3 395.228 3.510 20 0 GHADHM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2ccncc21)OCC ZINC001210224474 1027391293 /nfs/dbraw/zinc/39/12/93/1027391293.db2.gz OKKYZNQAQBUWSV-UHFFFAOYSA-N -1 3 386.477 3.704 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141843858 1027415923 /nfs/dbraw/zinc/41/59/23/1027415923.db2.gz ZBONUIFCGSQTBY-NSHDSACASA-N -1 3 390.274 3.915 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141843858 1027415938 /nfs/dbraw/zinc/41/59/38/1027415938.db2.gz ZBONUIFCGSQTBY-NSHDSACASA-N -1 3 390.274 3.915 20 0 GHADHM CC(C)(C)OC(=O)NCc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001203597361 1027462597 /nfs/dbraw/zinc/46/25/97/1027462597.db2.gz HYAPDHUBBWOWLW-UHFFFAOYSA-N -1 3 381.436 3.741 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1 ZINC001210405947 1027493568 /nfs/dbraw/zinc/49/35/68/1027493568.db2.gz PYAAFFXOFBXZDO-CQSZACIVSA-N -1 3 391.295 3.714 20 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COC(=O)c1cc(Nc2c(Cl)ccc([O-])c2F)c(OC)c(OC(C)=O)c1 ZINC001214564550 1028794432 /nfs/dbraw/zinc/79/44/32/1028794432.db2.gz FYUAVFZEPHPZLT-UHFFFAOYSA-N -1 3 383.759 3.649 20 0 GHADHM Cc1ccccc1C[C@H](CNCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000841794082 1028940735 /nfs/dbraw/zinc/94/07/35/1028940735.db2.gz SZHISELTJWEBSY-LJQANCHMSA-N -1 3 397.906 3.926 20 0 GHADHM CC(C)c1nc2cc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)ccc2o1 ZINC001215353935 1029169213 /nfs/dbraw/zinc/16/92/13/1029169213.db2.gz AVMYZXKEWSSACV-UHFFFAOYSA-N -1 3 377.408 3.699 20 0 GHADHM CC(C)c1nc2cc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)ccc2o1 ZINC001215353935 1029169220 /nfs/dbraw/zinc/16/92/20/1029169220.db2.gz AVMYZXKEWSSACV-UHFFFAOYSA-N -1 3 377.408 3.699 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001142654057 1029211694 /nfs/dbraw/zinc/21/16/94/1029211694.db2.gz UWXDRRXKCFTDOX-IBGZPJMESA-N -1 3 398.890 3.677 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(F)c(Cl)c3F)no2)cc1 ZINC001215448128 1029212898 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C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225578060 1031487985 /nfs/dbraw/zinc/48/79/85/1031487985.db2.gz ASRWPPPSIMZLCM-JQWIXIFHSA-N -1 3 391.390 3.615 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c1 ZINC001153429577 1031586909 /nfs/dbraw/zinc/58/69/09/1031586909.db2.gz IGKZJEAJHUOWDX-JOCHJYFZSA-N -1 3 387.439 3.740 20 0 GHADHM C[C@@H]1C[C@H](Oc2cc(C(F)(F)F)[n-]c(=S)n2)CN1C(=O)OC(C)(C)C ZINC001225853491 1031653597 /nfs/dbraw/zinc/65/35/97/1031653597.db2.gz RHQIDZWZZIJEHP-BDAKNGLRSA-N -1 3 379.404 3.561 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1OC1c2ccccc2CCc2ccccc21 ZINC001225900071 1031684298 /nfs/dbraw/zinc/68/42/98/1031684298.db2.gz YKDCZANIMISYQH-UHFFFAOYSA-N -1 3 376.412 3.626 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CCN(CC2CCCCC2)CC1 ZINC001153899098 1031799587 /nfs/dbraw/zinc/79/95/87/1031799587.db2.gz ANBXGWBAHWYINB-UHFFFAOYSA-N -1 3 387.911 3.520 20 0 GHADHM Cc1ccc(C)c(N2CCN(C(=O)c3c(O)cc4ccccc4c3[O-])CC2)c1 ZINC001154019305 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YMPWUIPICINUDQ-INIZCTEOSA-N -1 3 391.464 3.859 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc12 ZINC001226532553 1031998496 /nfs/dbraw/zinc/99/84/96/1031998496.db2.gz STADJFBVYMFHMU-ZIAGYGMSSA-N -1 3 389.448 3.974 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)cc12 ZINC001226532549 1031998687 /nfs/dbraw/zinc/99/86/87/1031998687.db2.gz STADJFBVYMFHMU-KBPBESRZSA-N -1 3 389.448 3.974 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)cc12 ZINC001226532552 1031999022 /nfs/dbraw/zinc/99/90/22/1031999022.db2.gz STADJFBVYMFHMU-UONOGXRCSA-N -1 3 389.448 3.974 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc12 ZINC001226536632 1032001018 /nfs/dbraw/zinc/00/10/18/1032001018.db2.gz XTAMSNNXLMOFEM-ZIAGYGMSSA-N -1 3 389.448 3.974 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2Oc1cccc([O-])c1Br ZINC001229140195 1033303014 /nfs/dbraw/zinc/30/30/14/1033303014.db2.gz WOLONSNGMNTOQK-JTNHKYCSSA-N -1 3 384.270 3.931 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cccc([O-])c3Br)[C@H]2C1 ZINC001229142557 1033304303 /nfs/dbraw/zinc/30/43/03/1033304303.db2.gz PZYSBSPLKMJUGB-COPLHBTASA-N -1 3 384.270 3.789 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2cccc3c(Cl)nccc32)c1[O-] ZINC001157031564 1033378473 /nfs/dbraw/zinc/37/84/73/1033378473.db2.gz JDBCLWXQJWEUMZ-UHFFFAOYSA-N -1 3 379.794 3.629 20 0 GHADHM CCOC(=O)[C@H](Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1)C1CC1 ZINC001229267097 1033380306 /nfs/dbraw/zinc/38/03/06/1033380306.db2.gz IAMUGIPKLNNOTA-OAQYLSRUSA-N -1 3 380.396 3.886 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)[n-]n1 ZINC001157100189 1033412666 /nfs/dbraw/zinc/41/26/66/1033412666.db2.gz OIDDWYBWYRICNQ-UHFFFAOYSA-N -1 3 394.269 3.654 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)n[n-]1 ZINC001157100189 1033412677 /nfs/dbraw/zinc/41/26/77/1033412677.db2.gz OIDDWYBWYRICNQ-UHFFFAOYSA-N -1 3 394.269 3.654 20 0 GHADHM COc1ccccc1[C@@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(F)(F)F ZINC001229341566 1033424813 /nfs/dbraw/zinc/42/48/13/1033424813.db2.gz KTUUJCVENUGSLO-OAHLLOKOSA-N -1 3 380.326 3.566 20 0 GHADHM COc1ccccc1[C@@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(F)(F)F ZINC001229341566 1033424820 /nfs/dbraw/zinc/42/48/20/1033424820.db2.gz KTUUJCVENUGSLO-OAHLLOKOSA-N -1 3 380.326 3.566 20 0 GHADHM CC/C(=C\C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001157223702 1033480788 /nfs/dbraw/zinc/48/07/88/1033480788.db2.gz ZBFWOHRXLPZOBT-YUFKHZPFSA-N -1 3 381.476 3.669 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3nc(=S)[n-]c4sccc43)[C@@H]2C1 ZINC001229571026 1033564188 /nfs/dbraw/zinc/56/41/88/1033564188.db2.gz YLESMRKUGSKIBK-WCQGTBRESA-N -1 3 379.507 3.614 20 0 GHADHM CC(C)N1CC[C@@H](Oc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O)C1 ZINC001229748476 1033683122 /nfs/dbraw/zinc/68/31/22/1033683122.db2.gz IJADCMWAVXVPKD-MRXNPFEDSA-N -1 3 381.428 3.733 20 0 GHADHM CN1CCC[C@H](Oc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O)CC1 ZINC001229749496 1033683511 /nfs/dbraw/zinc/68/35/11/1033683511.db2.gz CWWRRPWCCYDPBF-INIZCTEOSA-N -1 3 381.428 3.734 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001229957582 1033815768 /nfs/dbraw/zinc/81/57/68/1033815768.db2.gz LNWFEMXKXIAZAX-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001229957582 1033815783 /nfs/dbraw/zinc/81/57/83/1033815783.db2.gz LNWFEMXKXIAZAX-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC001158288904 1034006658 /nfs/dbraw/zinc/00/66/58/1034006658.db2.gz QRRWVRUTBXLKSX-SFHVURJKSA-N -1 3 390.443 3.760 20 0 GHADHM COCc1c2ccccc2oc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158783469 1034269433 /nfs/dbraw/zinc/26/94/33/1034269433.db2.gz KJQBGJMWVMCBBQ-HDJSIYSDSA-N -1 3 381.432 3.531 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1CCc2cc(OC)ccc2C1 ZINC001231089738 1034390246 /nfs/dbraw/zinc/39/02/46/1034390246.db2.gz YBYSETKJBJWHGI-AWEZNQCLSA-N -1 3 377.824 3.562 20 0 GHADHM C[C@]1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC(c2cccc(Cl)c2F)=NO1 ZINC001159063608 1034407699 /nfs/dbraw/zinc/40/76/99/1034407699.db2.gz RKZWYPBCKMVQBH-GOSISDBHSA-N -1 3 388.786 3.583 20 0 GHADHM CCN1CCC[C@@H](Oc2cc(Br)c([O-])cc2Br)C1 ZINC001231238878 1034477983 /nfs/dbraw/zinc/47/79/83/1034477983.db2.gz IRVWOASTTQZKEJ-SECBINFHSA-N -1 3 379.092 3.780 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2c(C)c(Br)ccc2[O-])c(F)c1 ZINC001159551346 1034658743 /nfs/dbraw/zinc/65/87/43/1034658743.db2.gz KHYYQVVIVMFIOE-UHFFFAOYSA-N -1 3 382.185 3.641 20 0 GHADHM COC[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2nn(CC3CC3)cc21 ZINC001231523396 1034674842 /nfs/dbraw/zinc/67/48/42/1034674842.db2.gz SVHVJVZDYOHFNK-HNNXBMFYSA-N -1 3 395.425 3.763 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523804 1034675224 /nfs/dbraw/zinc/67/52/24/1034675224.db2.gz YVVFZZCPNRVXHE-CABCVRRESA-N -1 3 386.414 3.995 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523807 1034675479 /nfs/dbraw/zinc/67/54/79/1034675479.db2.gz YVVFZZCPNRVXHE-LSDHHAIUSA-N -1 3 386.414 3.995 20 0 GHADHM O=C(NC1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC001231528063 1034680756 /nfs/dbraw/zinc/68/07/56/1034680756.db2.gz YQGQVDWVPHGXCF-UHFFFAOYSA-N -1 3 385.430 3.571 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1cc2cc(F)ccc2o1 ZINC001207977096 1034689373 /nfs/dbraw/zinc/68/93/73/1034689373.db2.gz RFURCOFTZJJUJL-GOSISDBHSA-N -1 3 388.464 3.687 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(C(C)C)cc2)c(F)c1 ZINC001208131944 1034749986 /nfs/dbraw/zinc/74/99/86/1034749986.db2.gz HTYPHZGEUVHPBR-UHFFFAOYSA-N -1 3 393.480 3.647 20 0 GHADHM CC(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277551287 1034835787 /nfs/dbraw/zinc/83/57/87/1034835787.db2.gz KLCWPOQYJSMQEY-IBGZPJMESA-N -1 3 395.341 3.768 20 0 GHADHM CC(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277551288 1034837273 /nfs/dbraw/zinc/83/72/73/1034837273.db2.gz KLCWPOQYJSMQEY-LJQANCHMSA-N -1 3 395.341 3.768 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@H]1C ZINC001208386230 1034879173 /nfs/dbraw/zinc/87/91/73/1034879173.db2.gz ZLZRWHSZIFTNBY-ZYHUDNBSSA-N -1 3 396.372 3.693 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cc2ccc(OCc3ccncc3)cc2)c1[O-] ZINC001160321557 1034939464 /nfs/dbraw/zinc/93/94/64/1034939464.db2.gz URQZXJXEBKPPRY-UHFFFAOYSA-N -1 3 376.412 3.750 20 0 GHADHM COCc1[nH]nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1-c1ccc(Cl)cc1 ZINC001160646681 1035024563 /nfs/dbraw/zinc/02/45/63/1035024563.db2.gz RWZQPTUTVDOSKU-UHFFFAOYSA-N -1 3 399.838 3.502 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(F)cc1 ZINC001208855131 1035060235 /nfs/dbraw/zinc/06/02/35/1035060235.db2.gz LENGMJGIWROJDA-SNVBAGLBSA-N -1 3 395.349 3.945 20 0 GHADHM C[C@@H]1CN(Cc2ncc(Br)cc2[O-])[C@H](C)CN1Cc1ccccc1 ZINC001461936615 1069901973 /nfs/dbraw/zinc/90/19/73/1069901973.db2.gz JOZVHUSLLUFAJP-HUUCEWRRSA-N -1 3 390.325 3.645 20 0 GHADHM Cc1ccc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)c(N2CCCC2)n1 ZINC001161135295 1035154476 /nfs/dbraw/zinc/15/44/76/1035154476.db2.gz HTJPABPRNZEOBA-UHFFFAOYSA-N -1 3 396.878 3.827 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(CN(C)C)c(Cl)c1)c2=O ZINC001161256284 1035194656 /nfs/dbraw/zinc/19/46/56/1035194656.db2.gz NXIWTUCUXNRWHA-UHFFFAOYSA-N -1 3 385.851 3.504 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC001161288598 1035203173 /nfs/dbraw/zinc/20/31/73/1035203173.db2.gz DVISOKKXXGUXDE-GAJHUEQPSA-N -1 3 385.504 3.931 20 0 GHADHM CCOC(=O)c1csc(-c2ccccc2-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241445365 1035583842 /nfs/dbraw/zinc/58/38/42/1035583842.db2.gz OHJXKWGFAMJDNI-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM CCOC(=O)c1csc(-c2ccccc2-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241445365 1035583851 /nfs/dbraw/zinc/58/38/51/1035583851.db2.gz OHJXKWGFAMJDNI-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001248394309 1035805949 /nfs/dbraw/zinc/80/59/49/1035805949.db2.gz IFGSJKNNTBVNSE-RBSFLKMASA-N -1 3 397.441 3.805 20 0 GHADHM [O-]c1cc(-c2nc3sccc3c(N3CCOCC3)n2)cc(C(F)(F)F)c1 ZINC001242779783 1035958473 /nfs/dbraw/zinc/95/84/73/1035958473.db2.gz AQDMUGJDAGYNKB-UHFFFAOYSA-N -1 3 381.379 3.919 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc4n[nH]nc4cc3F)c2)cc1 ZINC001242909487 1035992906 /nfs/dbraw/zinc/99/29/06/1035992906.db2.gz SCNZSMGGQUMMFO-UHFFFAOYSA-N -1 3 382.420 3.873 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244471525 1036517094 /nfs/dbraw/zinc/51/70/94/1036517094.db2.gz HLEMPODHIAXTFY-GOSISDBHSA-N -1 3 386.835 3.904 20 0 GHADHM [O-]c1cc(Cl)ccc1-c1cnc(N2CCOCC2)nc1OCc1ccccc1 ZINC001244472922 1036517461 /nfs/dbraw/zinc/51/74/61/1036517461.db2.gz UASWADJCXYUWKR-UHFFFAOYSA-N -1 3 397.862 3.918 20 0 GHADHM CCOC(=O)C(Cc1ccc(-c2ccc(Cl)cc2[O-])cc1)C(=O)OCC ZINC001244474257 1036518473 /nfs/dbraw/zinc/51/84/73/1036518473.db2.gz YOAXXDHPMRGZOL-UHFFFAOYSA-N -1 3 376.836 3.998 20 0 GHADHM O=C1C=C([O-])CC(c2nc(-c3cc(C(F)(F)F)cc(Cl)c3F)no2)C1 ZINC001247547570 1038244247 /nfs/dbraw/zinc/24/42/47/1038244247.db2.gz UUMJDLJPXTWPFC-UHFFFAOYSA-N -1 3 376.693 3.954 20 0 GHADHM CCCCc1ccc(-c2noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n2)cc1 ZINC001247691263 1038330833 /nfs/dbraw/zinc/33/08/33/1038330833.db2.gz TVSVOJGRMMVQKH-HNNXBMFYSA-N -1 3 398.429 3.928 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@]2(CCCN(Cc3cccc([O-])c3Cl)C2)C1 ZINC001232785936 1038552275 /nfs/dbraw/zinc/55/22/75/1038552275.db2.gz MEXLCGBTEDZUHZ-FQEVSTJZSA-N -1 3 396.915 3.648 20 0 GHADHM CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccc([O-])c3Cl)C[C@H]12 ZINC001232787295 1038553121 /nfs/dbraw/zinc/55/31/21/1038553121.db2.gz KXHXGPCNWKGRRA-UNMCSNQZSA-N -1 3 384.907 3.810 20 0 GHADHM O=C(CCCN1CCN(Cc2cccc([O-])c2Cl)CC1)c1ccc(F)cc1 ZINC001232790674 1038557900 /nfs/dbraw/zinc/55/79/00/1038557900.db2.gz VPRSQQCXARXLCD-UHFFFAOYSA-N -1 3 390.886 3.965 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3ccc(F)c([O-])c3F)CC2)c2cc(C)ccc21 ZINC001232935485 1038716757 /nfs/dbraw/zinc/71/67/57/1038716757.db2.gz LHNYQLVUTWBECA-UHFFFAOYSA-N -1 3 386.442 3.879 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c([O-])c1F ZINC001232940209 1038719566 /nfs/dbraw/zinc/71/95/66/1038719566.db2.gz ZKXIWEDALBOXCW-LQDVMPOASA-N -1 3 382.451 3.938 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001233036750 1038790854 /nfs/dbraw/zinc/79/08/54/1038790854.db2.gz USSMUZVVJFEYDU-UHFFFAOYSA-N -1 3 389.286 3.964 20 0 GHADHM CCOC(=O)c1cc2cc(N3CCN(Cc4cccc([O-])c4F)CC3)ccc2o1 ZINC001233054076 1038810539 /nfs/dbraw/zinc/81/05/39/1038810539.db2.gz BHHHXVILWQBKRO-UHFFFAOYSA-N -1 3 398.434 3.776 20 0 GHADHM Cc1cccc(N2CCC[C@@]3(CN(Cc4c(F)ccc([O-])c4F)CCO3)C2)c1 ZINC001233394305 1039226494 /nfs/dbraw/zinc/22/64/94/1039226494.db2.gz JLPFPRIQBZOQLZ-JOCHJYFZSA-N -1 3 388.458 3.850 20 0 GHADHM [O-]c1ccc(F)c(CN2CC(c3ncn4cc(Br)ccc34)C2)c1F ZINC001233396076 1039231310 /nfs/dbraw/zinc/23/13/10/1039231310.db2.gz IUZYQUAUSONOCH-UHFFFAOYSA-N -1 3 394.219 3.680 20 0 GHADHM COc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)c(Cl)c1[O-] ZINC001233401219 1039242652 /nfs/dbraw/zinc/24/26/52/1039242652.db2.gz QZWSFTXVAWZXIA-UHFFFAOYSA-N -1 3 383.879 3.925 20 0 GHADHM COCCc1ccc(OC[C@H](O)CNc2cc(Cl)c([O-])cc2Cl)cc1 ZINC001253056638 1039383438 /nfs/dbraw/zinc/38/34/38/1039383438.db2.gz OEEOWXGYVRGEFG-CYBMUJFWSA-N -1 3 386.275 3.740 20 0 GHADHM CCCCN1CC[C@@]2(CCN(Cc3cc(F)c([O-])c(Br)c3)C2)C1=O ZINC001277830690 1039820470 /nfs/dbraw/zinc/82/04/70/1039820470.db2.gz RRCKELBLIVENPB-GOSISDBHSA-N -1 3 399.304 3.518 20 0 GHADHM CCN1CCC(Oc2cc3c(cc2[O-])occ(-c2ccc(O)cc2)c3=O)CC1 ZINC001234133533 1039872781 /nfs/dbraw/zinc/87/27/81/1039872781.db2.gz AHNYRRILMWATHA-UHFFFAOYSA-N -1 3 381.428 3.734 20 0 GHADHM Cc1nc(O[C@H](c2ccccc2)[C@H](C)N2CCCC2)c(Br)c(=O)[n-]1 ZINC001234574297 1040142551 /nfs/dbraw/zinc/14/25/51/1040142551.db2.gz YKMVPYZZWCOWNR-LRDDRELGSA-N -1 3 392.297 3.858 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC001254619173 1040391381 /nfs/dbraw/zinc/39/13/81/1040391381.db2.gz OPPVBSSUHOZWHC-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM O=C(NCC1CCCC1)[C@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001277918641 1040574745 /nfs/dbraw/zinc/57/47/45/1040574745.db2.gz KUCNHIRLDDGSEN-QGZVFWFLSA-N -1 3 376.928 3.954 20 0 GHADHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C)c1ccc(OC)c(F)c1 ZINC001255225221 1040915949 /nfs/dbraw/zinc/91/59/49/1040915949.db2.gz XXSKBLCGJNVNGW-KRWDZBQOSA-N -1 3 395.377 3.655 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Br)c1cccc(F)c1 ZINC001255580910 1041143523 /nfs/dbraw/zinc/14/35/23/1041143523.db2.gz WSNPOOUUIKYCET-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1ccc(F)cc1F ZINC001256117987 1041550078 /nfs/dbraw/zinc/55/00/78/1041550078.db2.gz JHTWIKSTRVNESP-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM COC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC001256246917 1041673750 /nfs/dbraw/zinc/67/37/50/1041673750.db2.gz QHCJOWQNKQLSOS-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM Cc1ccc(F)c(-c2cnc(N3CCOCC3)nc2OCc2ccccc2)c1[O-] ZINC001236415728 1041706581 /nfs/dbraw/zinc/70/65/81/1041706581.db2.gz RYCPCPKFBXLKJN-UHFFFAOYSA-N -1 3 395.434 3.712 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001236684052 1041829391 /nfs/dbraw/zinc/82/93/91/1041829391.db2.gz MXUKHNMMBJAOBZ-GJZGRUSLSA-N -1 3 397.313 3.738 20 0 GHADHM COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683691 1041829594 /nfs/dbraw/zinc/82/95/94/1041829594.db2.gz GYBYQTIKSNHXKF-MAUKXSAKSA-N -1 3 384.314 3.562 20 0 GHADHM C[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001236685232 1041830641 /nfs/dbraw/zinc/83/06/41/1041830641.db2.gz DDUCOOZDBCPXLP-IUODEOHRSA-N -1 3 399.329 3.890 20 0 GHADHM [O-]c1cc(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)ccc1F ZINC001236700057 1041839809 /nfs/dbraw/zinc/83/98/09/1041839809.db2.gz ACPBFYPHSCXFBR-SIKLNZKXSA-N -1 3 386.467 3.514 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)s1 ZINC001237168287 1042075874 /nfs/dbraw/zinc/07/58/74/1042075874.db2.gz HTLWDMZGNWDJSA-UHFFFAOYSA-N -1 3 382.844 3.641 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3ccccc3C(F)(F)F)CC2)s1 ZINC001237168993 1042075890 /nfs/dbraw/zinc/07/58/90/1042075890.db2.gz LQQDCTVCGCFXSC-UHFFFAOYSA-N -1 3 377.819 3.843 20 0 GHADHM [O-]c1cc(F)cc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 ZINC001237278147 1042120279 /nfs/dbraw/zinc/12/02/79/1042120279.db2.gz JENODALYKGBJRS-SIKLNZKXSA-N -1 3 386.467 3.514 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCN2)no1)c1cccc2c(Cl)cccc21 ZINC001237550780 1042260847 /nfs/dbraw/zinc/26/08/47/1042260847.db2.gz WFVKFEZEYIJINA-AWEZNQCLSA-N -1 3 377.853 3.707 20 0 GHADHM CCc1cc(Br)cc(CC)c1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC001237642745 1042301062 /nfs/dbraw/zinc/30/10/62/1042301062.db2.gz NDLHTHQIQFJWEI-UHFFFAOYSA-N -1 3 383.311 3.957 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238242967 1042530343 /nfs/dbraw/zinc/53/03/43/1042530343.db2.gz RUTQOKQSFFFNMD-UHFFFAOYSA-N -1 3 396.484 3.588 20 0 GHADHM CN1CCN(C2(c3ccc(-c4nc[n-]c5nc(=S)sc4-5)cc3)CC2)CC1 ZINC001240579786 1042942693 /nfs/dbraw/zinc/94/26/93/1042942693.db2.gz RNZWBXJHOBKTOK-UHFFFAOYSA-N -1 3 383.546 3.604 20 0 GHADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001462694564 1070476800 /nfs/dbraw/zinc/47/68/00/1070476800.db2.gz JXDIMMBWWVPRIS-LBPRGKRZSA-N -1 3 386.286 3.888 20 0 GHADHM CC(C)(C)OC(=O)NCCCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256519515 1043445195 /nfs/dbraw/zinc/44/51/95/1043445195.db2.gz QJHNVFJMPCJNIR-UHFFFAOYSA-N -1 3 396.962 3.765 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC001256534168 1043470413 /nfs/dbraw/zinc/47/04/13/1043470413.db2.gz WRXCRBGGWWKILI-SNVBAGLBSA-N -1 3 386.709 3.720 20 0 GHADHM COC(=O)CCN(CC(C)C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001291809164 1043478129 /nfs/dbraw/zinc/47/81/29/1043478129.db2.gz HUELZLNHJLHJMK-UHFFFAOYSA-N -1 3 383.488 3.839 20 0 GHADHM CCOc1cnc(Br)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC001256715397 1043634602 /nfs/dbraw/zinc/63/46/02/1043634602.db2.gz SEEABXAJYGQSQN-UHFFFAOYSA-N -1 3 391.674 3.697 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)c(C)nc2Cl)c1 ZINC001256872332 1043712339 /nfs/dbraw/zinc/71/23/39/1043712339.db2.gz BSRGJYZZKZDZLE-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257306154 1043961283 /nfs/dbraw/zinc/96/12/83/1043961283.db2.gz IQUAZSYWMNWYMX-UHFFFAOYSA-N -1 3 382.309 3.640 20 0 GHADHM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001293165279 1044044096 /nfs/dbraw/zinc/04/40/96/1044044096.db2.gz VNGMHAHUCPMMCR-LJQANCHMSA-N -1 3 375.428 3.610 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC001293632130 1044272752 /nfs/dbraw/zinc/27/27/52/1044272752.db2.gz YKEODAXFHUFUIJ-UHFFFAOYSA-N -1 3 379.313 3.917 20 0 GHADHM Cc1ccc(N2CCC[C@H](NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)cc1 ZINC001294009654 1044420318 /nfs/dbraw/zinc/42/03/18/1044420318.db2.gz ZDOWVLATMZVKEM-AWEZNQCLSA-N -1 3 397.425 3.514 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001462850020 1070595771 /nfs/dbraw/zinc/59/57/71/1070595771.db2.gz QDMLMRDJJTYHAN-YPMHNXCESA-N -1 3 399.406 3.598 20 0 GHADHM CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(O)cc1[O-])C1CCCCCC1 ZINC001295056334 1044903254 /nfs/dbraw/zinc/90/32/54/1044903254.db2.gz NXAYLDCNYRJBEQ-UHFFFAOYSA-N -1 3 392.496 3.788 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC001258973042 1044913194 /nfs/dbraw/zinc/91/31/94/1044913194.db2.gz SRCUTUQYJQHHSX-UGSOOPFHSA-N -1 3 383.897 3.680 20 0 GHADHM Cc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1Br ZINC001259043998 1044931998 /nfs/dbraw/zinc/93/19/98/1044931998.db2.gz NNZCVHIABJFSPD-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090880 1044956477 /nfs/dbraw/zinc/95/64/77/1044956477.db2.gz CESURPFPDMJAGC-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)cc1 ZINC001259177383 1044993948 /nfs/dbraw/zinc/99/39/48/1044993948.db2.gz UTRIJNPIOWHTLL-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001295454717 1045022065 /nfs/dbraw/zinc/02/20/65/1045022065.db2.gz RNIACFOCFBBVQB-AWEZNQCLSA-N -1 3 389.498 3.589 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1Br)c1cc(F)cc(F)c1 ZINC001259306432 1045068476 /nfs/dbraw/zinc/06/84/76/1045068476.db2.gz ZPCDRHAKWYERPR-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Br)n1 ZINC001259306369 1045068873 /nfs/dbraw/zinc/06/88/73/1045068873.db2.gz VDKAQIOBXFIKKC-UHFFFAOYSA-N -1 3 377.210 3.540 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2F)cc1 ZINC001259325796 1045079316 /nfs/dbraw/zinc/07/93/16/1045079316.db2.gz ROZRHEXVWNGKMV-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Br ZINC001259356908 1045097090 /nfs/dbraw/zinc/09/70/90/1045097090.db2.gz CJRFEYCBZZYLFK-UHFFFAOYSA-N -1 3 398.278 3.502 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2ccccn2)c1)c1ccc(-n2cccn2)cc1 ZINC001259369458 1045104166 /nfs/dbraw/zinc/10/41/66/1045104166.db2.gz DCEUAUNFHHAXRN-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(F)(F)F)c1ccc2ncsc2c1 ZINC001259399153 1045122980 /nfs/dbraw/zinc/12/29/80/1045122980.db2.gz BDLBZYCPAKFCHQ-CQSZACIVSA-N -1 3 388.392 3.584 20 0 GHADHM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001259402044 1045125113 /nfs/dbraw/zinc/12/51/13/1045125113.db2.gz PIIAOBPRTPCGBT-UHFFFAOYSA-N -1 3 376.265 3.680 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(F)cc(F)c21)c1ccc(Cl)cc1F ZINC001259514572 1045215707 /nfs/dbraw/zinc/21/57/07/1045215707.db2.gz VWUVVOAFIIDZKI-LBPRGKRZSA-N -1 3 377.771 3.559 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1F ZINC001259513471 1045215873 /nfs/dbraw/zinc/21/58/73/1045215873.db2.gz OIAHPVSYFJQUEB-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(Cl)cc21)c1ccc(Cl)cc1F ZINC001259516307 1045217145 /nfs/dbraw/zinc/21/71/45/1045217145.db2.gz KXQQWEWPMYVHOW-ZDUSSCGKSA-N -1 3 376.236 3.935 20 0 GHADHM CC1CCC(OCC(=O)Nc2ccc(I)cc2[O-])CC1 ZINC001296291935 1045296530 /nfs/dbraw/zinc/29/65/30/1045296530.db2.gz WJWCYZIBYGKYHJ-UHFFFAOYSA-N -1 3 389.233 3.531 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260004885 1045351330 /nfs/dbraw/zinc/35/13/30/1045351330.db2.gz FTFNNJCGYOXDPM-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1ccc(-c2nnco2)cc1 ZINC001260032769 1045364453 /nfs/dbraw/zinc/36/44/53/1045364453.db2.gz PHDQDKGJTARNSP-UHFFFAOYSA-N -1 3 383.351 3.697 20 0 GHADHM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)c(Cl)nc1Br ZINC001260062606 1045372006 /nfs/dbraw/zinc/37/20/06/1045372006.db2.gz HSAMMDSSJLUQFE-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@@H](c1cccnc1)C(F)(F)F ZINC001260135575 1045391296 /nfs/dbraw/zinc/39/12/96/1045391296.db2.gz AUJNWFNPUIUQGS-INIZCTEOSA-N -1 3 381.379 3.520 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)ccc2N1 ZINC001260147358 1045397550 /nfs/dbraw/zinc/39/75/50/1045397550.db2.gz XFWPMLDBLUZPLR-UHFFFAOYSA-N -1 3 395.440 3.559 20 0 GHADHM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(CC)cc2[O-])c1 ZINC001296978514 1045414944 /nfs/dbraw/zinc/41/49/44/1045414944.db2.gz DWNUSLDOQLUQOU-UHFFFAOYSA-N -1 3 390.505 3.594 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccc1F ZINC001260331538 1045464928 /nfs/dbraw/zinc/46/49/28/1045464928.db2.gz QLIITCGSAHHJCO-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1F ZINC001260381250 1045484206 /nfs/dbraw/zinc/48/42/06/1045484206.db2.gz STNPNJBDOIXYPB-OCCSQVGLSA-N -1 3 388.233 3.562 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)Nc1cccc([O-])c1Cl ZINC001260462688 1045504038 /nfs/dbraw/zinc/50/40/38/1045504038.db2.gz CXSSYHAMPXMWCO-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CC[C@@H](C)c1nnc([C@H](C)[N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)[nH]1 ZINC001297450422 1045527076 /nfs/dbraw/zinc/52/70/76/1045527076.db2.gz FEVKTWREOHRYJJ-ZJUUUORDSA-N -1 3 386.830 3.949 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)cc2Cl)cc1C ZINC001260632170 1045582338 /nfs/dbraw/zinc/58/23/38/1045582338.db2.gz GJBZCHUNRQCLHY-UHFFFAOYSA-N -1 3 380.775 3.872 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)c(F)c2)cc1C ZINC001260637875 1045584710 /nfs/dbraw/zinc/58/47/10/1045584710.db2.gz UPYFBZZKSJWOBF-HNNXBMFYSA-N -1 3 395.452 3.501 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ncccc3Br)ccc2O1 ZINC001260711877 1045618418 /nfs/dbraw/zinc/61/84/18/1045618418.db2.gz AJMRWEANRTUXJR-UHFFFAOYSA-N -1 3 397.294 3.749 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)c1 ZINC001260809809 1045675590 /nfs/dbraw/zinc/67/55/90/1045675590.db2.gz ONIXSDKHUVAZHW-UHFFFAOYSA-N -1 3 376.331 3.604 20 0 GHADHM CCc1cnn2cc([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cnc12 ZINC001260819009 1045685739 /nfs/dbraw/zinc/68/57/39/1045685739.db2.gz IWKQGQRLFGOLDH-UHFFFAOYSA-N -1 3 385.276 3.540 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC001260824130 1045691962 /nfs/dbraw/zinc/69/19/62/1045691962.db2.gz ZKAAOZRUURKZHF-UHFFFAOYSA-N -1 3 376.261 3.953 20 0 GHADHM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(Cl)c1 ZINC001260828160 1045696571 /nfs/dbraw/zinc/69/65/71/1045696571.db2.gz SDEPZDZGKQOFAS-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC001260834867 1045704428 /nfs/dbraw/zinc/70/44/28/1045704428.db2.gz BPTCGIREZXOVOG-HNNXBMFYSA-N -1 3 375.918 3.516 20 0 GHADHM O=S(=O)([N-]c1cnccc1F)c1ccc(Br)cc1C(F)(F)F ZINC001260883402 1045741336 /nfs/dbraw/zinc/74/13/36/1045741336.db2.gz ASFKBMLRBGRFAR-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1F ZINC001260983046 1045798275 /nfs/dbraw/zinc/79/82/75/1045798275.db2.gz WJPWEYDFBCRWPH-UHFFFAOYSA-N -1 3 395.427 3.739 20 0 GHADHM O=S(=O)([N-]Cc1cncc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC001261013797 1045835094 /nfs/dbraw/zinc/83/50/94/1045835094.db2.gz DCDIHJXETUVCMK-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC001298512905 1045844512 /nfs/dbraw/zinc/84/45/12/1045844512.db2.gz DFLOPXZEBARWSM-LBPRGKRZSA-N -1 3 389.249 3.552 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1oc2ccccc2c1CO ZINC001298514599 1045845499 /nfs/dbraw/zinc/84/54/99/1045845499.db2.gz VWQALECCROVYBW-UHFFFAOYSA-N -1 3 376.206 3.954 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1Cc1ccc(F)cc1F ZINC001298550855 1045866612 /nfs/dbraw/zinc/86/66/12/1045866612.db2.gz PNULJZPTDRISSN-UHFFFAOYSA-N -1 3 378.766 3.524 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CC1CCC1 ZINC001261064039 1045883349 /nfs/dbraw/zinc/88/33/49/1045883349.db2.gz FKQYIKWEWDRRGW-UHFFFAOYSA-N -1 3 379.931 3.683 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC001261077132 1045891403 /nfs/dbraw/zinc/89/14/03/1045891403.db2.gz MKJYYTUAPIZKQF-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)Cc2ccccc2O1 ZINC001298716549 1045928842 /nfs/dbraw/zinc/92/88/42/1045928842.db2.gz KWENCBWWICYACJ-LBPRGKRZSA-N -1 3 389.477 3.913 20 0 GHADHM CCN(CC)c1ccc2nc(NC(=O)c3cc(F)cc4n[n-]nc43)sc2c1 ZINC001298883388 1045973787 /nfs/dbraw/zinc/97/37/87/1045973787.db2.gz PBQIFLLTAFQNPN-UHFFFAOYSA-N -1 3 384.440 3.805 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001298994345 1045994627 /nfs/dbraw/zinc/99/46/27/1045994627.db2.gz QTDWIMSTNDLYCV-UHFFFAOYSA-N -1 3 391.475 3.591 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001298994345 1045994636 /nfs/dbraw/zinc/99/46/36/1045994636.db2.gz QTDWIMSTNDLYCV-UHFFFAOYSA-N -1 3 391.475 3.591 20 0 GHADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC001299806336 1046046358 /nfs/dbraw/zinc/04/63/58/1046046358.db2.gz HZNKHLKCYPGXJR-GFCCVEGCSA-N -1 3 381.457 3.628 20 0 GHADHM CC(C)(C)C(=O)c1cn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nn1 ZINC001262025267 1046159364 /nfs/dbraw/zinc/15/93/64/1046159364.db2.gz CKVSLLVGOGLOSQ-UHFFFAOYSA-N -1 3 393.472 3.933 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CF)cc1 ZINC001262304632 1046236081 /nfs/dbraw/zinc/23/60/81/1046236081.db2.gz LTQHNTRYYKITOY-UHFFFAOYSA-N -1 3 393.484 3.974 20 0 GHADHM Cc1c(F)cccc1N(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCO[C@H]1C ZINC001262803536 1046351371 /nfs/dbraw/zinc/35/13/71/1046351371.db2.gz KNGKCIYAIIDUNQ-VBKZILBWSA-N -1 3 380.419 3.800 20 0 GHADHM O=C(Nc1cc(Cl)c(Br)cc1F)c1cnc(C2CC2)[n-]c1=O ZINC001301499578 1046569759 /nfs/dbraw/zinc/56/97/59/1046569759.db2.gz CGESYPQHQYQCCU-UHFFFAOYSA-N -1 3 386.608 3.867 20 0 GHADHM Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCCc3c[n-][nH]c3=O)c2c1 ZINC001301570564 1046604462 /nfs/dbraw/zinc/60/44/62/1046604462.db2.gz HFGPDFNFUUOOGX-AWEZNQCLSA-N -1 3 392.484 3.514 20 0 GHADHM O=C(/C=C\c1cccs1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302618383 1047008337 /nfs/dbraw/zinc/00/83/37/1047008337.db2.gz RJCIDFFQLKGYEH-WSROAFLRSA-N -1 3 394.418 3.960 20 0 GHADHM Cc1c[nH]c(C2([N-]C(=O)C(F)(F)c3ccc(Br)cc3)CCC2)n1 ZINC001302955455 1047211711 /nfs/dbraw/zinc/21/17/11/1047211711.db2.gz DGHIRSLQUFDDJA-UHFFFAOYSA-N -1 3 384.224 3.768 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001303521712 1047411821 /nfs/dbraw/zinc/41/18/21/1047411821.db2.gz SUMIURDPOMKKON-KBPBESRZSA-N -1 3 378.259 3.786 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)C2)n1 ZINC001303599701 1047443192 /nfs/dbraw/zinc/44/31/92/1047443192.db2.gz ZWLRGELSZFMAMK-XUVXKRRUSA-N -1 3 394.519 3.550 20 0 GHADHM O=S(=O)([N-]CCC(F)(F)F)c1ccc2ccccc2c1Br ZINC001463200250 1070906645 /nfs/dbraw/zinc/90/66/45/1070906645.db2.gz ZOWXHZFKDYGXTI-UHFFFAOYSA-N -1 3 382.201 3.833 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1cccc(Cl)c1 ZINC001463219683 1070918958 /nfs/dbraw/zinc/91/89/58/1070918958.db2.gz MPOXIIKVIRUOSJ-CYBMUJFWSA-N -1 3 375.824 3.593 20 0 GHADHM COc1ccnc(OC)c1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC001264921647 1047511876 /nfs/dbraw/zinc/51/18/76/1047511876.db2.gz SQMJFVNHJQKJIV-UHFFFAOYSA-N -1 3 376.825 3.523 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304132868 1047595773 /nfs/dbraw/zinc/59/57/73/1047595773.db2.gz WGCUGGKWPIBJIM-JTQLQIEISA-N -1 3 396.369 3.986 20 0 GHADHM COC(=O)c1cc(NC(=O)CCc2ccc3ccccc3c2)c([O-])c(OC)c1 ZINC001304506166 1047695773 /nfs/dbraw/zinc/69/57/73/1047695773.db2.gz UUJXVOVYGSSJBJ-UHFFFAOYSA-N -1 3 379.412 3.912 20 0 GHADHM CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001305281503 1047964037 /nfs/dbraw/zinc/96/40/37/1047964037.db2.gz ZJMGNUBCLHHEPC-UHFFFAOYSA-N -1 3 399.539 3.506 20 0 GHADHM Cc1ccc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001305578817 1048148722 /nfs/dbraw/zinc/14/87/22/1048148722.db2.gz YDAFXLCVCOVJQO-MRXNPFEDSA-N -1 3 376.497 3.858 20 0 GHADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC001463343390 1070998424 /nfs/dbraw/zinc/99/84/24/1070998424.db2.gz TUOXFKKMZIGIFS-UHFFFAOYSA-N -1 3 378.252 3.628 20 0 GHADHM COc1ccc2[nH]c([C@H](C)NC(=O)c3c([O-])cnc4ccc(Cl)cc43)nc2c1 ZINC001306831624 1048919394 /nfs/dbraw/zinc/91/93/94/1048919394.db2.gz OBQARMCIIYKCCQ-JTQLQIEISA-N -1 3 396.834 3.970 20 0 GHADHM COc1ccc2nc([C@H](C)NC(=O)c3c([O-])cnc4ccc(Cl)cc43)[nH]c2c1 ZINC001306831624 1048919399 /nfs/dbraw/zinc/91/93/99/1048919399.db2.gz OBQARMCIIYKCCQ-JTQLQIEISA-N -1 3 396.834 3.970 20 0 GHADHM CCc1cc2c(nc(C)nc2N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC001307152561 1049106514 /nfs/dbraw/zinc/10/65/14/1049106514.db2.gz GEPCGBJQEHYPCS-GHMZBOCLSA-N -1 3 385.493 3.738 20 0 GHADHM O=C([N-]CC[C@@H]1CN(CCOCC2CCCC2)c2ccccc21)C(F)(F)F ZINC001308011961 1049760919 /nfs/dbraw/zinc/76/09/19/1049760919.db2.gz IQUQNBLCDZNPOR-MRXNPFEDSA-N -1 3 384.442 3.866 20 0 GHADHM Cc1ccc(CSCCNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001290250078 1049778560 /nfs/dbraw/zinc/77/85/60/1049778560.db2.gz QZFMWCDBLWXKBQ-UHFFFAOYSA-N -1 3 388.439 3.778 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)c3cc([O-])cc(Br)c3)cnc21 ZINC001290370370 1049819102 /nfs/dbraw/zinc/81/91/02/1049819102.db2.gz SYKXDRXXWNXMTN-UHFFFAOYSA-N -1 3 375.226 3.733 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc3nc(Cl)ccc3s2)CC1 ZINC001308630823 1050040799 /nfs/dbraw/zinc/04/07/99/1050040799.db2.gz MUTNPPKZTUTTQM-UHFFFAOYSA-N -1 3 387.892 3.613 20 0 GHADHM CCOc1ccc(Cl)cc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001308796773 1050098038 /nfs/dbraw/zinc/09/80/38/1050098038.db2.gz WPTDGCOPYRAYDH-LBPRGKRZSA-N -1 3 378.822 3.629 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)N[C@H](C)c2nccc3ccccc32)[n-]1 ZINC001308844182 1050120375 /nfs/dbraw/zinc/12/03/75/1050120375.db2.gz HGEMRESJTRDYRF-PBHICJAKSA-N -1 3 381.480 3.968 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H](C)N1CC(F)(F)F ZINC001308969110 1050231008 /nfs/dbraw/zinc/23/10/08/1050231008.db2.gz NVNVDYVRDFVAMG-PHIMTYICSA-N -1 3 381.236 3.612 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2nc(-c3c(F)cccc3F)cs2)s1 ZINC001327648389 1050243935 /nfs/dbraw/zinc/24/39/35/1050243935.db2.gz YUAGWLGGSOZXMP-UHFFFAOYSA-N -1 3 395.412 3.974 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2sccc2C)s1 ZINC001309185483 1050443603 /nfs/dbraw/zinc/44/36/03/1050443603.db2.gz POLAYVDWWCQZHX-AWEZNQCLSA-N -1 3 394.543 3.784 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2Cl)C(C)C)c(F)c1 ZINC001309187266 1050446904 /nfs/dbraw/zinc/44/69/04/1050446904.db2.gz JSAXUVJSRNDVGZ-QGZVFWFLSA-N -1 3 399.871 3.941 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2Cl)cc1F ZINC001309241741 1050509378 /nfs/dbraw/zinc/50/93/78/1050509378.db2.gz INDBHGIJCDXKMX-NSHDSACASA-N -1 3 375.824 3.672 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC001309337440 1050606055 /nfs/dbraw/zinc/60/60/55/1050606055.db2.gz ISWKZPWKPHZTBY-OAHLLOKOSA-N -1 3 395.349 3.945 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC001309336507 1050606259 /nfs/dbraw/zinc/60/62/59/1050606259.db2.gz UAYWDAXUVPLLNO-UHFFFAOYSA-N -1 3 383.828 3.891 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2CCC(C)(C)CC2)c(C)c1Cl ZINC001309373409 1050650040 /nfs/dbraw/zinc/65/00/40/1050650040.db2.gz CJLNAENBGTXCJY-UHFFFAOYSA-N -1 3 393.958 3.991 20 0 GHADHM CC[C@]([N-]S(=O)(=O)Cc1cccc(C)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001309488712 1050759468 /nfs/dbraw/zinc/75/94/68/1050759468.db2.gz RQSLZKZGJSOPLD-LJQANCHMSA-N -1 3 395.908 3.546 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C ZINC001309561413 1050814029 /nfs/dbraw/zinc/81/40/29/1050814029.db2.gz SATDEVNQAYXUTH-ZUZCIYMTSA-N -1 3 394.306 3.844 20 0 GHADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001309569736 1050820360 /nfs/dbraw/zinc/82/03/60/1050820360.db2.gz HSPNSVRMNSBWOO-HNNXBMFYSA-N -1 3 387.530 3.895 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)cc1F ZINC001309618103 1050868495 /nfs/dbraw/zinc/86/84/95/1050868495.db2.gz XXGVQTMPYALWDA-UHFFFAOYSA-N -1 3 387.835 3.985 20 0 GHADHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc2ccccc2c1Br ZINC001309687699 1050920205 /nfs/dbraw/zinc/92/02/05/1050920205.db2.gz BZIOQDICPUFSEP-UHFFFAOYSA-N -1 3 378.238 3.926 20 0 GHADHM CC(C)n1ncc2c1[C@@H](NC(=O)c1cc([O-])cc(Br)c1)CCC2 ZINC001329980724 1050934281 /nfs/dbraw/zinc/93/42/81/1050934281.db2.gz WYSXSTNOIJAVEP-HNNXBMFYSA-N -1 3 378.270 3.740 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1cccc(C2CCC2)c1 ZINC001330090176 1050955463 /nfs/dbraw/zinc/95/54/63/1050955463.db2.gz JNTPIBHWOGSGNX-UHFFFAOYSA-N -1 3 391.468 3.786 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc(Cl)ccc1C(F)(F)F ZINC001309821501 1050989396 /nfs/dbraw/zinc/98/93/96/1050989396.db2.gz HRXFIDYVTZHYSA-CDMKHQONSA-N -1 3 383.819 3.595 20 0 GHADHM CC(C)OC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC001309824591 1050991896 /nfs/dbraw/zinc/99/18/96/1050991896.db2.gz VCJMMGFUHVPIJJ-UHFFFAOYSA-N -1 3 396.734 3.729 20 0 GHADHM O=S(=O)([N-]Cc1nc2c(s1)CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC001309846197 1051001697 /nfs/dbraw/zinc/00/16/97/1051001697.db2.gz SEDHTSILKRKEFQ-UHFFFAOYSA-N -1 3 396.843 3.783 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001310146376 1051188809 /nfs/dbraw/zinc/18/88/09/1051188809.db2.gz JXPARTXTVYAXRX-UHFFFAOYSA-N -1 3 386.843 3.877 20 0 GHADHM CCCOc1ccc(Cl)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001310146376 1051188811 /nfs/dbraw/zinc/18/88/11/1051188811.db2.gz JXPARTXTVYAXRX-UHFFFAOYSA-N -1 3 386.843 3.877 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C ZINC001310252655 1051250891 /nfs/dbraw/zinc/25/08/91/1051250891.db2.gz RLRIAZHLVJZROZ-LPHOPBHVSA-N -1 3 394.475 3.769 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnn(CC(C)C)c1 ZINC001333584744 1051778422 /nfs/dbraw/zinc/77/84/22/1051778422.db2.gz RDCFNVFREOMZEW-UHFFFAOYSA-N -1 3 382.420 3.623 20 0 GHADHM CC(C)[C@@H]1CCc2nc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)sc2C1 ZINC001311296390 1051998164 /nfs/dbraw/zinc/99/81/64/1051998164.db2.gz NEVABOIZUZYNHN-CYBMUJFWSA-N -1 3 397.508 3.652 20 0 GHADHM CC(C)[C@@H]1CCc2nc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)sc2C1 ZINC001311296390 1051998167 /nfs/dbraw/zinc/99/81/67/1051998167.db2.gz NEVABOIZUZYNHN-CYBMUJFWSA-N -1 3 397.508 3.652 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)ccc1Br ZINC001475524456 1052108359 /nfs/dbraw/zinc/10/83/59/1052108359.db2.gz LPSNGOALMKQCST-UHFFFAOYSA-N -1 3 398.269 3.611 20 0 GHADHM Cc1noc([C@@H]2CCCN(c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)n1 ZINC001336987909 1052374151 /nfs/dbraw/zinc/37/41/51/1052374151.db2.gz VOWSLIZIFYMFPL-MRXNPFEDSA-N -1 3 398.488 3.563 20 0 GHADHM Cc1nc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2CC(C)C)cc(=O)[n-]1 ZINC001343695269 1053975739 /nfs/dbraw/zinc/97/57/39/1053975739.db2.gz RSHXOOMGCPDCMO-UHFFFAOYSA-N -1 3 390.491 3.699 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001317803146 1054261761 /nfs/dbraw/zinc/26/17/61/1054261761.db2.gz FZKRKRSFSHOZHR-UHFFFAOYSA-N -1 3 381.407 3.780 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC001344125639 1054266889 /nfs/dbraw/zinc/26/68/89/1054266889.db2.gz LIIIJRMIOLORLV-ZETCQYMHSA-N -1 3 385.820 3.558 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC001317837544 1054275030 /nfs/dbraw/zinc/27/50/30/1054275030.db2.gz ZXKZVWFHPONWAD-RZDLDHBLSA-N -1 3 399.494 3.837 20 0 GHADHM COc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001318428187 1054632196 /nfs/dbraw/zinc/63/21/96/1054632196.db2.gz MQGHVCJJRZCSKX-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC001318557466 1054717019 /nfs/dbraw/zinc/71/70/19/1054717019.db2.gz SWNNOTNJCVFHDW-NRFANRHFSA-N -1 3 376.412 3.591 20 0 GHADHM CCOc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc(Cl)c1[O-] ZINC001320336979 1055761455 /nfs/dbraw/zinc/76/14/55/1055761455.db2.gz UWAXYGGLRGACIL-FUHWJXTLSA-N -1 3 392.858 3.759 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)C(F)(F)F)ccc1F ZINC001200593930 1056428117 /nfs/dbraw/zinc/42/81/17/1056428117.db2.gz OTMFKJUSWAXDER-OAHLLOKOSA-N -1 3 377.359 3.725 20 0 GHADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC001324732925 1057214538 /nfs/dbraw/zinc/21/45/38/1057214538.db2.gz CQUHRTFDHMWDBO-UHFFFAOYSA-N -1 3 399.847 3.732 20 0 GHADHM C[C@@H]1CC[C@@](C)(/C=C/C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1(C)C ZINC001325628015 1057347705 /nfs/dbraw/zinc/34/77/05/1057347705.db2.gz QDNXAPHHLMASTO-JDBPQYJSSA-N -1 3 396.528 3.832 20 0 GHADHM O=c1cc(-c2noc(-c3nc(-c4ccc(F)cc4)n4c3CCCCC4)n2)nc[n-]1 ZINC001326222827 1057437345 /nfs/dbraw/zinc/43/73/45/1057437345.db2.gz SPAVMQDCFUVIQV-UHFFFAOYSA-N -1 3 392.394 3.628 20 0 GHADHM Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC001326776851 1057555802 /nfs/dbraw/zinc/55/58/02/1057555802.db2.gz IINJRTPWTPOQAE-UHFFFAOYSA-N -1 3 378.457 3.694 20 0 GHADHM C[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)c1ccc(F)nc1 ZINC001473062408 1057593845 /nfs/dbraw/zinc/59/38/45/1057593845.db2.gz LBSSHLQXKDDDBM-GFCCVEGCSA-N -1 3 381.436 3.968 20 0 GHADHM CCOC(=O)c1oc([N-]C(=O)c2c(F)ccc(F)c2F)nc1C(F)(F)F ZINC001439481983 1058191380 /nfs/dbraw/zinc/19/13/80/1058191380.db2.gz JPHZGGWULXAEAJ-UHFFFAOYSA-N -1 3 382.216 3.540 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3n[n-]c(-c4ccco4)n3)cs2)cc1 ZINC001337646571 1058202490 /nfs/dbraw/zinc/20/24/90/1058202490.db2.gz GCRVVXAIOOOJRI-UHFFFAOYSA-N -1 3 379.445 3.932 20 0 GHADHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1 ZINC001338363362 1058530491 /nfs/dbraw/zinc/53/04/91/1058530491.db2.gz BYYIMZABMYQDBV-UHFFFAOYSA-N -1 3 399.447 3.544 20 0 GHADHM CCN1C[C@H](CN(C)C(=O)c2cc3sccc3c([O-])c2)Oc2ccccc21 ZINC001440709379 1058591129 /nfs/dbraw/zinc/59/11/29/1058591129.db2.gz JGJLZFHYLBFBEF-HNNXBMFYSA-N -1 3 382.485 3.966 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCc2ccc(F)c(Br)c2)c1 ZINC001441881208 1058878540 /nfs/dbraw/zinc/87/85/40/1058878540.db2.gz FHJJLNGBRMEFSG-UHFFFAOYSA-N -1 3 384.270 3.988 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001339240658 1059033796 /nfs/dbraw/zinc/03/37/96/1059033796.db2.gz PPLSSSQBGQFWGJ-SFHVURJKSA-N -1 3 378.480 3.727 20 0 GHADHM CC[S@@](=O)(=NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1cccc(Cl)c1 ZINC001339331878 1059113050 /nfs/dbraw/zinc/11/30/50/1059113050.db2.gz CREMSGAIAVXAOI-VWLOTQADSA-N -1 3 381.885 3.955 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001444249589 1059289466 /nfs/dbraw/zinc/28/94/66/1059289466.db2.gz SDXUZPNYTYMYTF-WBVHZDCISA-N -1 3 376.497 3.768 20 0 GHADHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001444273580 1059298012 /nfs/dbraw/zinc/29/80/12/1059298012.db2.gz KJFODPOUIRQUIY-ACJLOTCBSA-N -1 3 397.272 3.652 20 0 GHADHM O=S(=O)(Nc1ccc(Br)c([O-])c1)C1=Cc2ccccc2OCC1 ZINC001339902165 1059547160 /nfs/dbraw/zinc/54/71/60/1059547160.db2.gz NIKNYIAOYIYBFQ-UHFFFAOYSA-N -1 3 396.262 3.720 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001340009846 1059615980 /nfs/dbraw/zinc/61/59/80/1059615980.db2.gz AUFCFTLZIYJYOC-DLBZAZTESA-N -1 3 390.915 3.590 20 0 GHADHM Cc1cccc(CO[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001445906851 1059652703 /nfs/dbraw/zinc/65/27/03/1059652703.db2.gz ANNDMCDIBHIHGW-CYBMUJFWSA-N -1 3 378.266 3.685 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001446237506 1059732510 /nfs/dbraw/zinc/73/25/10/1059732510.db2.gz ARFNEBVYFFWGQU-UHFFFAOYSA-N -1 3 390.212 3.791 20 0 GHADHM CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001446785500 1059856555 /nfs/dbraw/zinc/85/65/55/1059856555.db2.gz CGUBVJMUNOFTOO-FPLPWBNLSA-N -1 3 396.487 3.794 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)[n-]n1 ZINC001447177784 1059934699 /nfs/dbraw/zinc/93/46/99/1059934699.db2.gz YKUUHQKAVUIINT-UHFFFAOYSA-N -1 3 388.276 3.765 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)n[n-]1 ZINC001447177784 1059934700 /nfs/dbraw/zinc/93/47/00/1059934700.db2.gz YKUUHQKAVUIINT-UHFFFAOYSA-N -1 3 388.276 3.765 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)ccc1OC(F)F ZINC001447235220 1059939855 /nfs/dbraw/zinc/93/98/55/1059939855.db2.gz XYUZTUVEHGTDPM-QMMMGPOBSA-N -1 3 383.782 3.805 20 0 GHADHM O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)Nc1ncccc1[O-] ZINC001447584362 1059985647 /nfs/dbraw/zinc/98/56/47/1059985647.db2.gz NIGDDXYNMIHMFP-UHFFFAOYSA-N -1 3 397.475 3.993 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC001449260684 1060365354 /nfs/dbraw/zinc/36/53/54/1060365354.db2.gz CIMCNXKRKJNSSB-MCBXIFIFSA-N -1 3 395.459 3.547 20 0 GHADHM O=C(COC(=O)c1ccc2c(c1)oc1ccccc12)[N-]C(=O)c1cccs1 ZINC001341106178 1060401885 /nfs/dbraw/zinc/40/18/85/1060401885.db2.gz JNAGZNAYCVCARC-UHFFFAOYSA-N -1 3 379.393 3.761 20 0 GHADHM Cc1ccccc1C(C)(C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001450163999 1060544237 /nfs/dbraw/zinc/54/42/37/1060544237.db2.gz VDFCOKIUYNMSCD-UHFFFAOYSA-N -1 3 380.897 3.685 20 0 GHADHM Cc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)ccn1Cc1ccccc1 ZINC001452100368 1060900603 /nfs/dbraw/zinc/90/06/03/1060900603.db2.gz OQIRNSDJTQINLR-UHFFFAOYSA-N -1 3 380.448 3.776 20 0 GHADHM Cc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)ccn1Cc1ccccc1 ZINC001452100368 1060900606 /nfs/dbraw/zinc/90/06/06/1060900606.db2.gz OQIRNSDJTQINLR-UHFFFAOYSA-N -1 3 380.448 3.776 20 0 GHADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]1 ZINC001452328570 1060924765 /nfs/dbraw/zinc/92/47/65/1060924765.db2.gz BVDQXLVVNPEMSR-SCZZXKLOSA-N -1 3 392.337 3.526 20 0 GHADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1nnc2ccccc2c1[O-] ZINC001452647306 1060978873 /nfs/dbraw/zinc/97/88/73/1060978873.db2.gz ARCRWYNQYPDPEY-UHFFFAOYSA-N -1 3 381.342 3.711 20 0 GHADHM CCOc1cc(-c2ccccc2)sc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001454285862 1061698182 /nfs/dbraw/zinc/69/81/82/1061698182.db2.gz OQGZFMDPEOTCPQ-UHFFFAOYSA-N -1 3 381.457 3.774 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](c3ccccc3F)C2(C)C)c([O-])c1 ZINC001454878675 1061949583 /nfs/dbraw/zinc/94/95/83/1061949583.db2.gz KBCRNHQTTGOIMX-GOSISDBHSA-N -1 3 398.478 3.754 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2F)CC1 ZINC001455086663 1061998332 /nfs/dbraw/zinc/99/83/32/1061998332.db2.gz RXKNNFLTPOFGDC-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)C2)n1 ZINC001347305012 1062286458 /nfs/dbraw/zinc/28/64/58/1062286458.db2.gz ICLWMBXJIADBDU-NXHRZFHOSA-N -1 3 394.519 3.565 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1c[nH]c(C(F)(F)F)c1 ZINC001347393511 1062348656 /nfs/dbraw/zinc/34/86/56/1062348656.db2.gz BAFMPPKFLPUOMF-UHFFFAOYSA-N -1 3 387.152 3.736 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CC3CCC(C(C)(C)C)CC3)CC2)n1 ZINC001347420721 1062371500 /nfs/dbraw/zinc/37/15/00/1062371500.db2.gz ATJZDYRKJZZCLC-UHFFFAOYSA-N -1 3 388.556 3.818 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)C(=O)Nc1ccccc1 ZINC001456202516 1062552645 /nfs/dbraw/zinc/55/26/45/1062552645.db2.gz SAKUGYGWNDWFND-LLVKDONJSA-N -1 3 382.794 3.584 20 0 GHADHM COc1cc(Cl)c(F)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001456280214 1062592771 /nfs/dbraw/zinc/59/27/71/1062592771.db2.gz PYCXFLSYVFUBAO-UHFFFAOYSA-N -1 3 382.725 3.860 20 0 GHADHM CCOC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccccc1 ZINC001435524992 1062707680 /nfs/dbraw/zinc/70/76/80/1062707680.db2.gz RFXQOEOAFSGRFS-INIZCTEOSA-N -1 3 383.341 3.867 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)CC2)n1 ZINC001347891084 1062758297 /nfs/dbraw/zinc/75/82/97/1062758297.db2.gz FJSFEMIPRKEOJK-KRWDZBQOSA-N -1 3 396.535 3.578 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3sccc3c([O-])c1)C2 ZINC001456812889 1062875336 /nfs/dbraw/zinc/87/53/36/1062875336.db2.gz ZTXRYTLVIDODMD-YUELXQCFSA-N -1 3 388.489 3.877 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c[n-]c12 ZINC001457663240 1063299601 /nfs/dbraw/zinc/29/96/01/1063299601.db2.gz WMDQFFZHGVGQML-HNNXBMFYSA-N -1 3 395.434 3.819 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001436229152 1063311267 /nfs/dbraw/zinc/31/12/67/1063311267.db2.gz GVSCDBPIPQPPJQ-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001436229152 1063311286 /nfs/dbraw/zinc/31/12/86/1063311286.db2.gz GVSCDBPIPQPPJQ-UHFFFAOYSA-N -1 3 396.350 3.591 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3c(Cl)nc4cc(Cl)ccn43)n[n-]2)o1 ZINC001457693292 1063316785 /nfs/dbraw/zinc/31/67/85/1063316785.db2.gz WXINJYCOQJCDAJ-UHFFFAOYSA-N -1 3 377.191 3.580 20 0 GHADHM COc1ccc(OC)c2sc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)nc21 ZINC001457977512 1063477429 /nfs/dbraw/zinc/47/74/29/1063477429.db2.gz FBFOZJUIXQQYJL-UHFFFAOYSA-N -1 3 395.440 3.716 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)ccc1F ZINC001436561896 1063531151 /nfs/dbraw/zinc/53/11/51/1063531151.db2.gz ABOAGEQUUKHWTC-HOCLYGCPSA-N -1 3 398.544 3.799 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001349970873 1063956408 /nfs/dbraw/zinc/95/64/08/1063956408.db2.gz SGALDTDVYLQRED-VGOFRKELSA-N -1 3 376.412 3.780 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001350538234 1064118487 /nfs/dbraw/zinc/11/84/87/1064118487.db2.gz SQLYKTJNDUYVOQ-CQSZACIVSA-N -1 3 378.480 3.665 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cscc2Cl)ccc1F ZINC001438997203 1064155975 /nfs/dbraw/zinc/15/59/75/1064155975.db2.gz SBOLNAAZOKZYPT-UHFFFAOYSA-N -1 3 390.889 3.870 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CN2CCCCC2)c2ccccc2)cc1F ZINC001463522111 1064432033 /nfs/dbraw/zinc/43/20/33/1064432033.db2.gz YCPYGADZYJLXRS-LJQANCHMSA-N -1 3 394.487 3.779 20 0 GHADHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001463528537 1064437343 /nfs/dbraw/zinc/43/73/43/1064437343.db2.gz OXLIXTNLJXACID-QWHCGFSZSA-N -1 3 386.970 3.953 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCCC1 ZINC001463552195 1064453958 /nfs/dbraw/zinc/45/39/58/1064453958.db2.gz MNIZWPYYIHEMSG-UHFFFAOYSA-N -1 3 385.835 3.986 20 0 GHADHM CCCOc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1 ZINC001463585170 1064481112 /nfs/dbraw/zinc/48/11/12/1064481112.db2.gz RUPMPOLWOXQGJW-UHFFFAOYSA-N -1 3 399.459 3.976 20 0 GHADHM COc1ccc(OC)c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001463602309 1064490979 /nfs/dbraw/zinc/49/09/79/1064490979.db2.gz BFPJDAOGOVQRKX-UHFFFAOYSA-N -1 3 380.400 3.641 20 0 GHADHM O=S(=O)([N-]C/C=C/c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001463765178 1064598418 /nfs/dbraw/zinc/59/84/18/1064598418.db2.gz UIRCMDYWGGYKSV-OWOJBTEDSA-N -1 3 388.233 3.719 20 0 GHADHM CC[C@@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)OCCc2ccccc21 ZINC001463820367 1064647390 /nfs/dbraw/zinc/64/73/90/1064647390.db2.gz ORXRVXVSUTXJNP-IBGZPJMESA-N -1 3 397.899 3.777 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC001463881600 1064691960 /nfs/dbraw/zinc/69/19/60/1064691960.db2.gz MSZNBCQUDYQIEU-GOSISDBHSA-N -1 3 394.562 3.668 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC001464033995 1064779958 /nfs/dbraw/zinc/77/99/58/1064779958.db2.gz KQUMURXXUGYTEC-UHFFFAOYSA-N -1 3 386.286 3.844 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC[C@@H](C)CC1 ZINC001464041039 1064783809 /nfs/dbraw/zinc/78/38/09/1064783809.db2.gz SRYARMXVKJLUSS-SXUIPJSXSA-N -1 3 394.320 3.535 20 0 GHADHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC001464273685 1064936920 /nfs/dbraw/zinc/93/69/20/1064936920.db2.gz ZNAPGGZOEUAMQZ-UHFFFAOYSA-N -1 3 390.274 3.957 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001464277600 1064938844 /nfs/dbraw/zinc/93/88/44/1064938844.db2.gz BWNHPGUQSKKOTF-UHFFFAOYSA-N -1 3 396.393 3.782 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)CC1CCCCC1 ZINC001464366327 1064973725 /nfs/dbraw/zinc/97/37/25/1064973725.db2.gz AHOCTNQMUFAVGH-UHFFFAOYSA-N -1 3 378.321 3.952 20 0 GHADHM O=C(Nc1cc(Br)ccc1F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001464381267 1064980162 /nfs/dbraw/zinc/98/01/62/1064980162.db2.gz ZPVCWQHGCRYUFJ-UHFFFAOYSA-N -1 3 397.150 3.960 20 0 GHADHM COCCOc1ccccc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001464400783 1064989571 /nfs/dbraw/zinc/98/95/71/1064989571.db2.gz MQZPDIUBKFXWLC-UHFFFAOYSA-N -1 3 391.467 3.938 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2cccc(Cl)c2Cl)c1 ZINC001464419140 1064997677 /nfs/dbraw/zinc/99/76/77/1064997677.db2.gz ICQOABRUPLGLML-UHFFFAOYSA-N -1 3 395.242 3.632 20 0 GHADHM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1c[n-]c2ccccc2c1=O ZINC001352374752 1065001673 /nfs/dbraw/zinc/00/16/73/1065001673.db2.gz XXVUENHSHUVJDO-UHFFFAOYSA-N -1 3 399.903 3.987 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)c1cccc2ccccc21 ZINC001464758059 1065194946 /nfs/dbraw/zinc/19/49/46/1065194946.db2.gz PZFDPKTVINQZTE-BZQUYTCOSA-N -1 3 388.514 3.892 20 0 GHADHM O=C([N-]C1CCN(C(=S)Nc2cccc3ccccc32)CC1)C(F)(F)F ZINC001200097428 1065208320 /nfs/dbraw/zinc/20/83/20/1065208320.db2.gz AMDTYFPKQFNQES-UHFFFAOYSA-N -1 3 381.423 3.680 20 0 GHADHM C/C(=C\c1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001464955053 1065289010 /nfs/dbraw/zinc/28/90/10/1065289010.db2.gz CRPWSJBYSQLEKQ-DHZHZOJOSA-N -1 3 399.394 3.514 20 0 GHADHM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC001464982699 1065305058 /nfs/dbraw/zinc/30/50/58/1065305058.db2.gz NAVNYPUIVHIVLB-SFHVURJKSA-N -1 3 377.396 3.671 20 0 GHADHM COC(=O)CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC001465286783 1065527934 /nfs/dbraw/zinc/52/79/34/1065527934.db2.gz XSLZWRQLEDDWFK-UHFFFAOYSA-N -1 3 389.451 3.997 20 0 GHADHM O=C(c1cc(Br)c2ccccc2c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193172 1065626339 /nfs/dbraw/zinc/62/63/39/1065626339.db2.gz DXFDSWKHDOBQHT-GFCCVEGCSA-N -1 3 386.249 3.661 20 0 GHADHM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(Nc3ccncc3)cc2)n1 ZINC001300214217 1065719241 /nfs/dbraw/zinc/71/92/41/1065719241.db2.gz JHKSPTIKYAZKBA-UHFFFAOYSA-N -1 3 399.454 3.953 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)c1ccc(Cl)cc1 ZINC001465582972 1065728776 /nfs/dbraw/zinc/72/87/76/1065728776.db2.gz HDAHBNLFDIAACC-INIZCTEOSA-N -1 3 387.842 3.766 20 0 GHADHM Cc1c2cccc(C)c2oc1CN(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001300281156 1065916495 /nfs/dbraw/zinc/91/64/95/1065916495.db2.gz YXVDVQIXUSRHRE-UHFFFAOYSA-N -1 3 394.471 3.842 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c([O-])c1 ZINC001465909996 1065918314 /nfs/dbraw/zinc/91/83/14/1065918314.db2.gz RQBYMQBBSNOBCY-ZDUSSCGKSA-N -1 3 398.286 3.992 20 0 GHADHM COc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1CO ZINC001465987488 1065946970 /nfs/dbraw/zinc/94/69/70/1065946970.db2.gz MYCAKUPRZYVWKW-UHFFFAOYSA-N -1 3 377.440 3.931 20 0 GHADHM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(CN3CCCC3)o2)c1 ZINC001466423494 1066146305 /nfs/dbraw/zinc/14/63/05/1066146305.db2.gz UIRJCJLNZMCGCA-UHFFFAOYSA-N -1 3 379.254 3.904 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c([O-])c1 ZINC001466433370 1066152307 /nfs/dbraw/zinc/15/23/07/1066152307.db2.gz FRVPYRGSUHUNOL-APPDUMDISA-N -1 3 394.265 3.669 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c([O-])c1 ZINC001466433572 1066152347 /nfs/dbraw/zinc/15/23/47/1066152347.db2.gz FRVPYRGSUHUNOL-GTNSWQLSSA-N -1 3 394.265 3.669 20 0 GHADHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)cs2)n1 ZINC001353731463 1066203291 /nfs/dbraw/zinc/20/32/91/1066203291.db2.gz PHJICEIICRRLET-UHFFFAOYSA-N -1 3 388.474 3.592 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1 ZINC001466632307 1066223423 /nfs/dbraw/zinc/22/34/23/1066223423.db2.gz JMELLDQHZVDJJA-UHFFFAOYSA-N -1 3 387.237 3.550 20 0 GHADHM CC(C)(Nc1ccccc1)C(=O)Nc1ccc(I)cc1[O-] ZINC001466818766 1066335728 /nfs/dbraw/zinc/33/57/28/1066335728.db2.gz MHFWMODCAJXZTH-UHFFFAOYSA-N -1 3 396.228 3.826 20 0 GHADHM C[C@H](CN(C)C(=O)c1cc2c(cc1[O-])OCO2)Oc1ccc(Cl)c(Cl)c1 ZINC001466880119 1066363440 /nfs/dbraw/zinc/36/34/40/1066363440.db2.gz AFXPVWKXMMBVBX-SNVBAGLBSA-N -1 3 398.242 3.967 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4c(cncc4Cl)s3)nc21 ZINC001357296465 1067036876 /nfs/dbraw/zinc/03/68/76/1067036876.db2.gz UCSXDTVKHRUHAZ-UHFFFAOYSA-N -1 3 386.820 3.865 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC001467260583 1067186286 /nfs/dbraw/zinc/18/62/86/1067186286.db2.gz DTHJBTIRIXMIBE-HNNXBMFYSA-N -1 3 387.304 3.933 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc(SC)ccc1[O-] ZINC001467288697 1067200168 /nfs/dbraw/zinc/20/01/68/1067200168.db2.gz SIBKFFOHGWKLOL-INIZCTEOSA-N -1 3 393.892 3.672 20 0 GHADHM CC[C@H](C)c1ncc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cn1 ZINC001467465574 1067311028 /nfs/dbraw/zinc/31/10/28/1067311028.db2.gz SYXMOMJWCYJQDM-AWEZNQCLSA-N -1 3 378.432 3.928 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)s1 ZINC001467737890 1067444495 /nfs/dbraw/zinc/44/44/95/1067444495.db2.gz PJYBJTMICOXXPL-OLZOCXBDSA-N -1 3 377.441 3.915 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1ccccc1[O-])Cc1ccccc1 ZINC001468458397 1067738685 /nfs/dbraw/zinc/73/86/85/1067738685.db2.gz NRPRWQLELXYTNV-KRWDZBQOSA-N -1 3 384.476 3.600 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000849231026 1067770611 /nfs/dbraw/zinc/77/06/11/1067770611.db2.gz RGBMKNWENFODOS-ZWKOTPCHSA-N -1 3 395.377 3.789 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000849231024 1067770925 /nfs/dbraw/zinc/77/09/25/1067770925.db2.gz RGBMKNWENFODOS-QZTJIDSGSA-N -1 3 395.377 3.789 20 0 GHADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1ccccc1I ZINC000849232080 1067772159 /nfs/dbraw/zinc/77/21/59/1067772159.db2.gz OZKSDFLHXOCZRJ-OCCSQVGLSA-N -1 3 387.261 3.660 20 0 GHADHM CC(=O)c1cccc(NC(=O)COCCc2ccc(Br)cc2)c1[O-] ZINC001468601071 1067786198 /nfs/dbraw/zinc/78/61/98/1067786198.db2.gz JUMVMSFYPZSAKC-UHFFFAOYSA-N -1 3 392.249 3.555 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000849346652 1067813252 /nfs/dbraw/zinc/81/32/52/1067813252.db2.gz WFJJHHTUNYCBGH-QGZVFWFLSA-N -1 3 382.298 3.928 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001468673985 1067817773 /nfs/dbraw/zinc/81/77/73/1067817773.db2.gz QAVZCYITWZOTAH-WKILWMFISA-N -1 3 376.497 3.762 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1C(F)(F)F ZINC000849453477 1067848931 /nfs/dbraw/zinc/84/89/31/1067848931.db2.gz FGOYYBRRUPARFA-KBPBESRZSA-N -1 3 391.798 3.816 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC12CCCC2 ZINC001468969694 1067940810 /nfs/dbraw/zinc/94/08/10/1067940810.db2.gz UOYIDTDXVKIYOH-INIZCTEOSA-N -1 3 384.929 3.752 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(OC(F)F)c(Cl)c2)[n-]n1 ZINC001469326608 1068104588 /nfs/dbraw/zinc/10/45/88/1068104588.db2.gz LDQOETDMNAJQIZ-UHFFFAOYSA-N -1 3 387.770 3.872 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(OC(F)F)c(Cl)c2)n[n-]1 ZINC001469326608 1068104593 /nfs/dbraw/zinc/10/45/93/1068104593.db2.gz LDQOETDMNAJQIZ-UHFFFAOYSA-N -1 3 387.770 3.872 20 0 GHADHM CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc([O-])c3ccccc3c2)C2CC2)C1 ZINC001469572678 1068233756 /nfs/dbraw/zinc/23/37/56/1068233756.db2.gz VZCUPFCULBXPQH-UHFFFAOYSA-N -1 3 382.460 3.769 20 0 GHADHM CCOc1cc(-c2ccccc2)sc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001469720561 1068337120 /nfs/dbraw/zinc/33/71/20/1068337120.db2.gz RNEXCSIHEMFGHF-UHFFFAOYSA-N -1 3 387.486 3.528 20 0 GHADHM COc1cccc(OC)c1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001469929994 1068476620 /nfs/dbraw/zinc/47/66/20/1068476620.db2.gz AIQJXNPMHPWRDH-UHFFFAOYSA-N -1 3 377.440 3.930 20 0 GHADHM COc1ccc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)c([O-])c1 ZINC001470186613 1068614887 /nfs/dbraw/zinc/61/48/87/1068614887.db2.gz ACFDQCUMQQGHFX-UHFFFAOYSA-N -1 3 390.277 3.916 20 0 GHADHM Cc1c([O-])ccc2c(CN3[C@H](C)CCC[C@@H]3C(=O)OC(C)(C)C)cc(=O)oc12 ZINC001460282384 1068905402 /nfs/dbraw/zinc/90/54/02/1068905402.db2.gz KUDAUHLMPBUEGR-CXAGYDPISA-N -1 3 387.476 3.892 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC001546181382 1072640945 /nfs/dbraw/zinc/64/09/45/1072640945.db2.gz FTLHCHWHZNTFPW-UHFFFAOYSA-N -1 3 386.231 3.985 20 0 GHADHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC001470608422 1072646165 /nfs/dbraw/zinc/64/61/65/1072646165.db2.gz GXKFKOAFDGKUIR-RCBQFDQVSA-N -1 3 389.462 3.586 20 0 GHADHM C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001470873510 1072782577 /nfs/dbraw/zinc/78/25/77/1072782577.db2.gz MTRONCWYVVQWQU-CQSZACIVSA-N -1 3 378.394 3.930 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cccc(F)c1F ZINC001471033707 1072893773 /nfs/dbraw/zinc/89/37/73/1072893773.db2.gz GYAORODLSCMSMH-UHFFFAOYSA-N -1 3 386.358 3.510 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cscc1Cl ZINC001471035524 1072895402 /nfs/dbraw/zinc/89/54/02/1072895402.db2.gz VWTXXDKYSRELON-UHFFFAOYSA-N -1 3 390.852 3.946 20 0 GHADHM O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1cnc2c(F)cc(F)cc2c1[O-] ZINC001471159220 1072946545 /nfs/dbraw/zinc/94/65/45/1072946545.db2.gz AGEUKBKBFKPQSB-UHFFFAOYSA-N -1 3 396.271 3.804 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nc2ccccc2o1 ZINC001471362406 1073038842 /nfs/dbraw/zinc/03/88/42/1073038842.db2.gz IUPVVCNWESLEGH-LLVKDONJSA-N -1 3 381.819 3.856 20 0 GHADHM CCOC(=O)C=Cc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001471398950 1073052913 /nfs/dbraw/zinc/05/29/13/1073052913.db2.gz ZLZRIZOSHQVRIK-VMPITWQZSA-N -1 3 398.365 3.635 20 0 GHADHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC001471631643 1073164367 /nfs/dbraw/zinc/16/43/67/1073164367.db2.gz OTPBCZUDGGLBST-HNNXBMFYSA-N -1 3 392.421 3.936 20 0 GHADHM O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001471756391 1073209640 /nfs/dbraw/zinc/20/96/40/1073209640.db2.gz ZDOMUETZZIZYIW-KRWDZBQOSA-N -1 3 392.421 3.740 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471810820 1073224492 /nfs/dbraw/zinc/22/44/92/1073224492.db2.gz DFHQJLLDXHBRAK-UHFFFAOYSA-N -1 3 381.476 3.630 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)[n-]n1 ZINC001472091165 1073330319 /nfs/dbraw/zinc/33/03/19/1073330319.db2.gz QDZGACTWKVJEKT-UHFFFAOYSA-N -1 3 381.436 3.536 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)n[n-]1 ZINC001472091165 1073330324 /nfs/dbraw/zinc/33/03/24/1073330324.db2.gz QDZGACTWKVJEKT-UHFFFAOYSA-N -1 3 381.436 3.536 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)[n-]n1 ZINC001472091110 1073330651 /nfs/dbraw/zinc/33/06/51/1073330651.db2.gz OBPOWYJBMCPPCY-VXGBXAGGSA-N -1 3 397.353 3.616 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n[n-]1 ZINC001472091110 1073330656 /nfs/dbraw/zinc/33/06/56/1073330656.db2.gz OBPOWYJBMCPPCY-VXGBXAGGSA-N -1 3 397.353 3.616 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc(C)cc3)nc21 ZINC001472300850 1073407498 /nfs/dbraw/zinc/40/74/98/1073407498.db2.gz RDBJNRFVANLUQI-UHFFFAOYSA-N -1 3 379.416 3.650 20 0 GHADHM O=C(CCc1ccc(Br)cc1F)[N-]OCCOc1ccccc1 ZINC001472341071 1073434294 /nfs/dbraw/zinc/43/42/94/1073434294.db2.gz JDQJYXHRPWSLQJ-UHFFFAOYSA-N -1 3 382.229 3.648 20 0 GHADHM CCCCOc1ccc(C(=O)NCCN(CCC)C(=O)OC(C)(C)C)c([O-])c1 ZINC001472539560 1073539378 /nfs/dbraw/zinc/53/93/78/1073539378.db2.gz YBDCMHLISMCLAH-UHFFFAOYSA-N -1 3 394.512 3.948 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc4c(cccc4N(C)C)s3)c2c1=O ZINC001472584952 1073561457 /nfs/dbraw/zinc/56/14/57/1073561457.db2.gz GYOATMNUWJKLQX-UHFFFAOYSA-N -1 3 395.488 3.586 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc4cccc(C)c4nc3Cl)c2c1=O ZINC001472585892 1073562038 /nfs/dbraw/zinc/56/20/38/1073562038.db2.gz XWWPCNSMPFMUNJ-UHFFFAOYSA-N -1 3 395.850 3.815 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])n1)CCC3 ZINC001472817437 1073679208 /nfs/dbraw/zinc/67/92/08/1073679208.db2.gz CSBVTKULECUYHM-MNOVXSKESA-N -1 3 397.504 3.664 20 0 GHADHM COCCN(CCOc1ccc(F)cc1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001473161784 1073820378 /nfs/dbraw/zinc/82/03/78/1073820378.db2.gz BWSNXMJEQBFVOM-UHFFFAOYSA-N -1 3 397.450 3.516 20 0 GHADHM C[C@H]1[C@H](c2cccc(F)c2)OCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001473580823 1074028579 /nfs/dbraw/zinc/02/85/79/1074028579.db2.gz YAKWFPMOVRFANO-YCRPNKLZSA-N -1 3 379.435 3.950 20 0 GHADHM NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc([O-])c(F)c1 ZINC001474345404 1074354324 /nfs/dbraw/zinc/35/43/24/1074354324.db2.gz LZGJWKUYZVSFTK-UHFFFAOYSA-N -1 3 394.446 3.598 20 0 GHADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001474769776 1074552549 /nfs/dbraw/zinc/55/25/49/1074552549.db2.gz XBSRJLXVSBGZDZ-LBPRGKRZSA-N -1 3 386.286 3.888 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1cc2nc(Cl)ncc2s1 ZINC001474815298 1074576022 /nfs/dbraw/zinc/57/60/22/1074576022.db2.gz RQPLXAOJUIZQHJ-HNNXBMFYSA-N -1 3 379.894 3.774 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc(OC(F)F)cc1 ZINC001474818493 1074577367 /nfs/dbraw/zinc/57/73/67/1074577367.db2.gz XHTAKXGIBZKKGH-QMMMGPOBSA-N -1 3 380.775 3.515 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccsc1 ZINC001474830685 1074583117 /nfs/dbraw/zinc/58/31/17/1074583117.db2.gz OYJHLLIJWMYDML-MRXNPFEDSA-N -1 3 396.509 3.995 20 0 GHADHM CC1CCN([C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2)CC1 ZINC001474863235 1074598396 /nfs/dbraw/zinc/59/83/96/1074598396.db2.gz PTRPCAIWMADXKA-LJQANCHMSA-N -1 3 394.487 3.716 20 0 GHADHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001475012938 1074683364 /nfs/dbraw/zinc/68/33/64/1074683364.db2.gz GXVQWWMKJSCQRA-UHFFFAOYSA-N -1 3 381.281 3.728 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1c(F)cccc1OC(F)(F)F ZINC001475031489 1074696367 /nfs/dbraw/zinc/69/63/67/1074696367.db2.gz FIBNAXISEHXPBK-AAEUAGOBSA-N -1 3 381.391 3.971 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)Cc1cccs1 ZINC001475034035 1074698248 /nfs/dbraw/zinc/69/82/48/1074698248.db2.gz FAMWKKDNRISBLV-JTQLQIEISA-N -1 3 392.315 3.807 20 0 GHADHM CCc1cnc(CC[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)s1 ZINC001475037218 1074701769 /nfs/dbraw/zinc/70/17/69/1074701769.db2.gz WXMSZCFITRBUHU-UHFFFAOYSA-N -1 3 393.559 3.658 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cc(C)cc2Br)CC1 ZINC001475080101 1074728251 /nfs/dbraw/zinc/72/82/51/1074728251.db2.gz LSACUWNOCUUIAL-UHFFFAOYSA-N -1 3 396.734 3.506 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001475083393 1074729700 /nfs/dbraw/zinc/72/97/00/1074729700.db2.gz PHRJGKKHDJBCSD-NSHDSACASA-N -1 3 394.905 3.890 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1OC(F)(F)F)c1cccc(Cl)c1F ZINC001475098420 1074736219 /nfs/dbraw/zinc/73/62/19/1074736219.db2.gz JUVGBBPSZGHWTC-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM CCOc1cccc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC001475115643 1074742866 /nfs/dbraw/zinc/74/28/66/1074742866.db2.gz RRPJEHYVCKEHLI-UHFFFAOYSA-N -1 3 377.437 3.800 20 0 GHADHM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475135332 1074752676 /nfs/dbraw/zinc/75/26/76/1074752676.db2.gz ZVJSYNZMODJGCN-OXHMUOHRSA-N -1 3 385.835 3.697 20 0 GHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC001475173744 1074769305 /nfs/dbraw/zinc/76/93/05/1074769305.db2.gz UCYFGGCUZCXTDQ-QMMMGPOBSA-N -1 3 392.212 3.906 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c1Cl ZINC001475192783 1074778245 /nfs/dbraw/zinc/77/82/45/1074778245.db2.gz OUDDXFAZRQNLQG-INIZCTEOSA-N -1 3 380.337 3.911 20 0 GHADHM O=S(=O)([N-]CCN1CCC2(CCCCC2)CC1)c1cc2ccccc2o1 ZINC001475235094 1074798456 /nfs/dbraw/zinc/79/84/56/1074798456.db2.gz ZIEGPQPVQXJFFS-UHFFFAOYSA-N -1 3 376.522 3.757 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(Br)c1F ZINC001475240013 1074800057 /nfs/dbraw/zinc/80/00/57/1074800057.db2.gz ZZMUESLATCTULT-YPMHNXCESA-N -1 3 388.233 3.562 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)cc1F ZINC001475272116 1074816035 /nfs/dbraw/zinc/81/60/35/1074816035.db2.gz MONDNLYQNJSISV-GJZGRUSLSA-N -1 3 381.444 3.978 20 0 GHADHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C1CC1 ZINC001475300909 1074827894 /nfs/dbraw/zinc/82/78/94/1074827894.db2.gz ULRRGLVIZDGFFP-TVQRCGJNSA-N -1 3 396.734 3.503 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCCCC1 ZINC001475418480 1074867525 /nfs/dbraw/zinc/86/75/25/1074867525.db2.gz MOWIZVMWLKQDDY-SECBINFHSA-N -1 3 381.723 3.745 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)c(F)c1 ZINC001475427221 1074871566 /nfs/dbraw/zinc/87/15/66/1074871566.db2.gz QIDMDERNQBBVSQ-SFHVURJKSA-N -1 3 383.485 3.640 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(-c3cccs3)cc2)c1 ZINC001475473199 1074887518 /nfs/dbraw/zinc/88/75/18/1074887518.db2.gz BOPSPFFABBMFHV-UHFFFAOYSA-N -1 3 393.511 3.742 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CCCCC1 ZINC001475533386 1074907004 /nfs/dbraw/zinc/90/70/04/1074907004.db2.gz XRXXCOGSRNFGDX-KRWDZBQOSA-N -1 3 394.562 3.992 20 0 GHADHM CC[C@@H](Cc1cn(C)c2ccccc12)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001475558376 1074914303 /nfs/dbraw/zinc/91/43/03/1074914303.db2.gz LDTCAEBGRWDFAZ-HNNXBMFYSA-N -1 3 391.924 3.835 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1F ZINC001475580241 1074919136 /nfs/dbraw/zinc/91/91/36/1074919136.db2.gz ZXPFFVOWQVGWQK-DYVFJYSZSA-N -1 3 387.835 3.735 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)[C@H]2CCCCO2)c(-c2ccccc2)s1 ZINC001475603507 1074925233 /nfs/dbraw/zinc/92/52/33/1074925233.db2.gz CJKISVCVXSOUFP-OAHLLOKOSA-N -1 3 380.535 3.745 20 0 GHADHM O=S(=O)([N-]C1([C@H]2CCCCO2)CCC1)c1cc(C(F)(F)F)ccc1F ZINC001475613439 1074927492 /nfs/dbraw/zinc/92/74/92/1074927492.db2.gz KOGWMBQMDCOHBH-CQSZACIVSA-N -1 3 381.391 3.615 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCOCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001475613373 1074927545 /nfs/dbraw/zinc/92/75/45/1074927545.db2.gz HALIPSLRYMYBPS-LSDHHAIUSA-N -1 3 398.937 3.557 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC001475669664 1074996645 /nfs/dbraw/zinc/99/66/45/1074996645.db2.gz QPCKYMAPWXWHGJ-ZBFHGGJFSA-N -1 3 389.370 3.597 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2cccc3c2OCC3)c(-c2ccccc2)s1 ZINC001475716834 1075007097 /nfs/dbraw/zinc/00/70/97/1075007097.db2.gz SXBQGIVRWMLWCA-UHFFFAOYSA-N -1 3 386.498 3.532 20 0 GHADHM O=S(=O)(CCC1CCCC1)[N-]C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001475809747 1075025526 /nfs/dbraw/zinc/02/55/26/1075025526.db2.gz BKBJAJKRTBGXQE-OAHLLOKOSA-N -1 3 399.862 3.590 20 0 GHADHM C[C@](Cc1ccc(Cl)cc1)([NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)[O-] ZINC001592840570 1126217264 /nfs/dbraw/zinc/21/72/64/1126217264.db2.gz OMYQVLONAVHASI-OAQYLSRUSA-N -1 3 397.862 3.678 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c(F)cc1F ZINC000096401496 209239405 /nfs/dbraw/zinc/23/94/05/209239405.db2.gz WEZCZCRIBBRNHB-SREVYHEPSA-N -1 3 387.791 3.817 20 0 GHADHM CCOC(=O)c1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n[n-]1 ZINC000540849045 564258531 /nfs/dbraw/zinc/25/85/31/564258531.db2.gz AADSTIUYEDBBFM-UHFFFAOYSA-N -1 3 392.626 3.564 20 0 GHADHM CCOC(=O)c1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)[n-]n1 ZINC000540849045 564258532 /nfs/dbraw/zinc/25/85/32/564258532.db2.gz AADSTIUYEDBBFM-UHFFFAOYSA-N -1 3 392.626 3.564 20 0 GHADHM CC(C)c1cnc(S[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1C(C)C ZINC000736192380 598824740 /nfs/dbraw/zinc/82/47/40/598824740.db2.gz MABDZXVKDUYAGK-CYBMUJFWSA-N -1 3 399.524 3.887 20 0 GHADHM CC(C)c1cnc(S[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1C(C)C ZINC000736192380 598824742 /nfs/dbraw/zinc/82/47/42/598824742.db2.gz MABDZXVKDUYAGK-CYBMUJFWSA-N -1 3 399.524 3.887 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1cccc(Cl)c1 ZINC000737524681 598826565 /nfs/dbraw/zinc/82/65/65/598826565.db2.gz PTLKTDOYKVLHHW-UHFFFAOYSA-N -1 3 395.854 3.556 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1cccc(Cl)c1 ZINC000737524681 598826566 /nfs/dbraw/zinc/82/65/66/598826566.db2.gz PTLKTDOYKVLHHW-UHFFFAOYSA-N -1 3 395.854 3.556 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(COC2CCCC2)cc1 ZINC000737797054 598839337 /nfs/dbraw/zinc/83/93/37/598839337.db2.gz DAWHBFVUVTUFHX-KAMYIIQDSA-N -1 3 389.459 3.978 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(COC2CCCC2)cc1 ZINC000737797054 598839339 /nfs/dbraw/zinc/83/93/39/598839339.db2.gz DAWHBFVUVTUFHX-KAMYIIQDSA-N -1 3 389.459 3.978 20 0 GHADHM CC[C@H](CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736330660 598839595 /nfs/dbraw/zinc/83/95/95/598839595.db2.gz FBZNINABZPJSAU-OAHLLOKOSA-N -1 3 381.484 3.680 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc3ccccc3o2)c1C ZINC000737503374 598840284 /nfs/dbraw/zinc/84/02/84/598840284.db2.gz IMLHPNPWEQIODW-UHFFFAOYSA-N -1 3 399.414 3.668 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000736164539 598844890 /nfs/dbraw/zinc/84/48/90/598844890.db2.gz YEVJSIXTLZTXDV-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736229989 598851862 /nfs/dbraw/zinc/85/18/62/598851862.db2.gz QFNAANWMEYVBRL-HXUWFJFHSA-N -1 3 380.427 3.591 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736229989 598851864 /nfs/dbraw/zinc/85/18/64/598851864.db2.gz QFNAANWMEYVBRL-HXUWFJFHSA-N -1 3 380.427 3.591 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736344570 598901599 /nfs/dbraw/zinc/90/15/99/598901599.db2.gz BEPXNAXRGWZPIF-ZDUSSCGKSA-N -1 3 396.520 3.714 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736344570 598901601 /nfs/dbraw/zinc/90/16/01/598901601.db2.gz BEPXNAXRGWZPIF-ZDUSSCGKSA-N -1 3 396.520 3.714 20 0 GHADHM Cc1sc(NC(=O)Cc2ccc(Br)s2)c(-c2nnn[n-]2)c1C ZINC000737561790 598903870 /nfs/dbraw/zinc/90/38/70/598903870.db2.gz IJIXZLBCTXECIE-UHFFFAOYSA-N -1 3 398.311 3.550 20 0 GHADHM Cc1sc(NC(=O)Cc2ccc(Br)s2)c(-c2nn[n-]n2)c1C ZINC000737561790 598903873 /nfs/dbraw/zinc/90/38/73/598903873.db2.gz IJIXZLBCTXECIE-UHFFFAOYSA-N -1 3 398.311 3.550 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(COc2cccc(F)c2)c1 ZINC000738190956 598904043 /nfs/dbraw/zinc/90/40/43/598904043.db2.gz GAEGXZZAGDHQCU-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(COc2cccc(F)c2)c1 ZINC000738190956 598904044 /nfs/dbraw/zinc/90/40/44/598904044.db2.gz GAEGXZZAGDHQCU-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cc2ccccn2c1 ZINC000738175466 598905206 /nfs/dbraw/zinc/90/52/06/598905206.db2.gz NOYKZZGCYRCOJB-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cc2ccccn2c1 ZINC000738175466 598905208 /nfs/dbraw/zinc/90/52/08/598905208.db2.gz NOYKZZGCYRCOJB-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736358247 598907684 /nfs/dbraw/zinc/90/76/84/598907684.db2.gz RXFQTITXXVVGIP-ZDUSSCGKSA-N -1 3 375.885 3.782 20 0 GHADHM CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736358247 598907686 /nfs/dbraw/zinc/90/76/86/598907686.db2.gz RXFQTITXXVVGIP-ZDUSSCGKSA-N -1 3 375.885 3.782 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CNc1cccc(Cl)c1 ZINC000735830099 598908558 /nfs/dbraw/zinc/90/85/58/598908558.db2.gz CZUYWLLTFJCULU-UHFFFAOYSA-N -1 3 398.898 3.617 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CNc1cccc(Cl)c1 ZINC000735830099 598908560 /nfs/dbraw/zinc/90/85/60/598908560.db2.gz CZUYWLLTFJCULU-UHFFFAOYSA-N -1 3 398.898 3.617 20 0 GHADHM O=C(Nc1cc(Cl)ccn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738145439 598909606 /nfs/dbraw/zinc/90/96/06/598909606.db2.gz QQIGDASSDRAXHB-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H](CC1CCCC1)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735986402 598924145 /nfs/dbraw/zinc/92/41/45/598924145.db2.gz RUKOFXZXSPYEQR-CQSZACIVSA-N -1 3 395.463 3.553 20 0 GHADHM C[C@H](CC1CCCC1)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735986402 598924147 /nfs/dbraw/zinc/92/41/47/598924147.db2.gz RUKOFXZXSPYEQR-CQSZACIVSA-N -1 3 395.463 3.553 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736360298 598924855 /nfs/dbraw/zinc/92/48/55/598924855.db2.gz AQZQRMWMSVGKMF-CYBMUJFWSA-N -1 3 390.900 3.874 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736360298 598924856 /nfs/dbraw/zinc/92/48/56/598924856.db2.gz AQZQRMWMSVGKMF-CYBMUJFWSA-N -1 3 390.900 3.874 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000737340696 598926531 /nfs/dbraw/zinc/92/65/31/598926531.db2.gz BKMQMHRJUGBWOT-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000737340696 598926534 /nfs/dbraw/zinc/92/65/34/598926534.db2.gz BKMQMHRJUGBWOT-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM COc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC1CCCC1 ZINC000737107069 598937652 /nfs/dbraw/zinc/93/76/52/598937652.db2.gz ZZFKBXLORINKGC-UHFFFAOYSA-N -1 3 386.843 3.989 20 0 GHADHM COc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC1CCCC1 ZINC000737107069 598937654 /nfs/dbraw/zinc/93/76/54/598937654.db2.gz ZZFKBXLORINKGC-UHFFFAOYSA-N -1 3 386.843 3.989 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736056564 598942599 /nfs/dbraw/zinc/94/25/99/598942599.db2.gz PCICVEIUYMHJLI-VIFPVBQESA-N -1 3 382.777 3.977 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736056564 598942602 /nfs/dbraw/zinc/94/26/02/598942602.db2.gz PCICVEIUYMHJLI-VIFPVBQESA-N -1 3 382.777 3.977 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508469 598971637 /nfs/dbraw/zinc/97/16/37/598971637.db2.gz MLONUENPNVMZJK-FIFPYPGSSA-N -1 3 397.504 3.559 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508469 598971639 /nfs/dbraw/zinc/97/16/39/598971639.db2.gz MLONUENPNVMZJK-FIFPYPGSSA-N -1 3 397.504 3.559 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736828364 598977397 /nfs/dbraw/zinc/97/73/97/598977397.db2.gz NYEKVGKNMJVDFE-UHFFFAOYSA-N -1 3 399.454 3.718 20 0 GHADHM CN(Cc1ccccc1)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736828364 598977399 /nfs/dbraw/zinc/97/73/99/598977399.db2.gz NYEKVGKNMJVDFE-UHFFFAOYSA-N -1 3 399.454 3.718 20 0 GHADHM CCCCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000736451362 598990346 /nfs/dbraw/zinc/99/03/46/598990346.db2.gz LIAKXMYBMZNTCG-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCCCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000736451362 598990348 /nfs/dbraw/zinc/99/03/48/598990348.db2.gz LIAKXMYBMZNTCG-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCCCC1 ZINC000736221907 598995275 /nfs/dbraw/zinc/99/52/75/598995275.db2.gz CBRJJGWFKCZUSN-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CC1(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCCCC1 ZINC000736221907 598995276 /nfs/dbraw/zinc/99/52/76/598995276.db2.gz CBRJJGWFKCZUSN-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CC[C@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000736362779 598997408 /nfs/dbraw/zinc/99/74/08/598997408.db2.gz IUDJDTQHQJHZDO-IBGZPJMESA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000736362779 598997410 /nfs/dbraw/zinc/99/74/10/598997410.db2.gz IUDJDTQHQJHZDO-IBGZPJMESA-N -1 3 379.464 3.610 20 0 GHADHM CCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736469763 599001564 /nfs/dbraw/zinc/00/15/64/599001564.db2.gz CRGDYLRTTHCDHE-GOSISDBHSA-N -1 3 399.520 3.727 20 0 GHADHM CCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736469763 599001566 /nfs/dbraw/zinc/00/15/66/599001566.db2.gz CRGDYLRTTHCDHE-GOSISDBHSA-N -1 3 399.520 3.727 20 0 GHADHM CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000736167223 599007571 /nfs/dbraw/zinc/00/75/71/599007571.db2.gz DHPRVTZAVMEPTC-FZKQIMNGSA-N -1 3 399.882 3.801 20 0 GHADHM CC[C@H](NC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000736372350 599013707 /nfs/dbraw/zinc/01/37/07/599013707.db2.gz XKSSDVMVUSDIGO-INIZCTEOSA-N -1 3 398.561 3.918 20 0 GHADHM CC[C@H](NC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000736372350 599013709 /nfs/dbraw/zinc/01/37/09/599013709.db2.gz XKSSDVMVUSDIGO-INIZCTEOSA-N -1 3 398.561 3.918 20 0 GHADHM CC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000736382685 599027649 /nfs/dbraw/zinc/02/76/49/599027649.db2.gz NMNVGDNTBKDQBR-GOSISDBHSA-N -1 3 398.488 3.803 20 0 GHADHM CC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736382685 599027650 /nfs/dbraw/zinc/02/76/50/599027650.db2.gz NMNVGDNTBKDQBR-GOSISDBHSA-N -1 3 398.488 3.803 20 0 GHADHM CC(C)C(=O)Nc1ccc(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000735692790 599038405 /nfs/dbraw/zinc/03/84/05/599038405.db2.gz UMTSFFBAYMIINO-UHFFFAOYSA-N -1 3 391.357 3.619 20 0 GHADHM CC(C)C(=O)Nc1ccc(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000735692790 599038408 /nfs/dbraw/zinc/03/84/08/599038408.db2.gz UMTSFFBAYMIINO-UHFFFAOYSA-N -1 3 391.357 3.619 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000737632810 599040340 /nfs/dbraw/zinc/04/03/40/599040340.db2.gz NGBZGMJHRMLMOK-INIZCTEOSA-N -1 3 397.364 3.877 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000737632810 599040343 /nfs/dbraw/zinc/04/03/43/599040343.db2.gz NGBZGMJHRMLMOK-INIZCTEOSA-N -1 3 397.364 3.877 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737998906 599040411 /nfs/dbraw/zinc/04/04/11/599040411.db2.gz QGDVTEKABFQCGS-CYBMUJFWSA-N -1 3 381.745 3.554 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737998906 599040413 /nfs/dbraw/zinc/04/04/13/599040413.db2.gz QGDVTEKABFQCGS-CYBMUJFWSA-N -1 3 381.745 3.554 20 0 GHADHM COc1ccc(CC[C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737087748 599049284 /nfs/dbraw/zinc/04/92/84/599049284.db2.gz IRNIAPMEQSTKTC-NSHDSACASA-N -1 3 392.385 3.722 20 0 GHADHM COc1ccc(CC[C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737087748 599049287 /nfs/dbraw/zinc/04/92/87/599049287.db2.gz IRNIAPMEQSTKTC-NSHDSACASA-N -1 3 392.385 3.722 20 0 GHADHM Fc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737646819 599057108 /nfs/dbraw/zinc/05/71/08/599057108.db2.gz ACASWASPQHIUQU-UHFFFAOYSA-N -1 3 386.740 3.728 20 0 GHADHM Fc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737646819 599057110 /nfs/dbraw/zinc/05/71/10/599057110.db2.gz ACASWASPQHIUQU-UHFFFAOYSA-N -1 3 386.740 3.728 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC(OCC2CCCCC2)CC1 ZINC000822736253 599058202 /nfs/dbraw/zinc/05/82/02/599058202.db2.gz BMRBGFQQQXWHIQ-UHFFFAOYSA-N -1 3 377.439 3.711 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC(OCC2CCCCC2)CC1 ZINC000822736253 599058205 /nfs/dbraw/zinc/05/82/05/599058205.db2.gz BMRBGFQQQXWHIQ-UHFFFAOYSA-N -1 3 377.439 3.711 20 0 GHADHM Cc1cc(-c2cccc(F)c2)nnc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822130548 599069132 /nfs/dbraw/zinc/06/91/32/599069132.db2.gz VGPKPCAECYGSSE-UHFFFAOYSA-N -1 3 379.374 3.522 20 0 GHADHM Cc1cc(-c2cccc(F)c2)nnc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822130548 599069137 /nfs/dbraw/zinc/06/91/37/599069137.db2.gz VGPKPCAECYGSSE-UHFFFAOYSA-N -1 3 379.374 3.522 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817577 599069971 /nfs/dbraw/zinc/06/99/71/599069971.db2.gz CFTWEVIONYHARV-FUHWJXTLSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817577 599069974 /nfs/dbraw/zinc/06/99/74/599069974.db2.gz CFTWEVIONYHARV-FUHWJXTLSA-N -1 3 397.429 3.938 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736244272 599070442 /nfs/dbraw/zinc/07/04/42/599070442.db2.gz GEWJWYGGUOVXPC-HIFRSBDPSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736244272 599070444 /nfs/dbraw/zinc/07/04/44/599070444.db2.gz GEWJWYGGUOVXPC-HIFRSBDPSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C[C@@H](C)S1 ZINC000820766937 599074876 /nfs/dbraw/zinc/07/48/76/599074876.db2.gz FLTQJSAFHZXSGQ-RKDXNWHRSA-N -1 3 378.864 3.538 20 0 GHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C[C@@H](C)S1 ZINC000820766937 599074879 /nfs/dbraw/zinc/07/48/79/599074879.db2.gz FLTQJSAFHZXSGQ-RKDXNWHRSA-N -1 3 378.864 3.538 20 0 GHADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736350189 599077035 /nfs/dbraw/zinc/07/70/35/599077035.db2.gz KNRQBWJQABMETP-DNVCBOLYSA-N -1 3 393.491 3.507 20 0 GHADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736350189 599077038 /nfs/dbraw/zinc/07/70/38/599077038.db2.gz KNRQBWJQABMETP-DNVCBOLYSA-N -1 3 393.491 3.507 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736266114 599082193 /nfs/dbraw/zinc/08/21/93/599082193.db2.gz MVCHMOZMJRLRFC-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000736686222 599085224 /nfs/dbraw/zinc/08/52/24/599085224.db2.gz OSGOVEBPWOUQQQ-ADYSOMBNSA-N -1 3 377.448 3.789 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000736686222 599085227 /nfs/dbraw/zinc/08/52/27/599085227.db2.gz OSGOVEBPWOUQQQ-ADYSOMBNSA-N -1 3 377.448 3.789 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738157740 599088653 /nfs/dbraw/zinc/08/86/53/599088653.db2.gz AOYNHNXBMKFWCW-UHFFFAOYSA-N -1 3 391.456 3.897 20 0 GHADHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1sccc1-c1nn[n-]n1 ZINC000738157740 599088656 /nfs/dbraw/zinc/08/86/56/599088656.db2.gz AOYNHNXBMKFWCW-UHFFFAOYSA-N -1 3 391.456 3.897 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(-n2ccnc2)c1 ZINC000820455100 599095048 /nfs/dbraw/zinc/09/50/48/599095048.db2.gz CVRBSGSHXKJXTQ-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737833495 599096462 /nfs/dbraw/zinc/09/64/62/599096462.db2.gz UJSZDFBANQPNMT-OALUTQOASA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000737833495 599096465 /nfs/dbraw/zinc/09/64/65/599096465.db2.gz UJSZDFBANQPNMT-OALUTQOASA-N -1 3 383.496 3.501 20 0 GHADHM COC(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902400 599112019 /nfs/dbraw/zinc/11/20/19/599112019.db2.gz TVAMZAYHGBDPKK-OAHLLOKOSA-N -1 3 397.485 3.749 20 0 GHADHM COC(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902400 599112020 /nfs/dbraw/zinc/11/20/20/599112020.db2.gz TVAMZAYHGBDPKK-OAHLLOKOSA-N -1 3 397.485 3.749 20 0 GHADHM Nc1nc(Cl)cc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000822907221 599112762 /nfs/dbraw/zinc/11/27/62/599112762.db2.gz BUAVDGRNGQTHJZ-UHFFFAOYSA-N -1 3 398.789 3.567 20 0 GHADHM Nc1nc(Cl)cc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000822907221 599112764 /nfs/dbraw/zinc/11/27/64/599112764.db2.gz BUAVDGRNGQTHJZ-UHFFFAOYSA-N -1 3 398.789 3.567 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000821612102 599140301 /nfs/dbraw/zinc/14/03/01/599140301.db2.gz IWGXHOYFPICIML-UHFFFAOYSA-N -1 3 375.476 3.799 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000821612102 599140305 /nfs/dbraw/zinc/14/03/05/599140305.db2.gz IWGXHOYFPICIML-UHFFFAOYSA-N -1 3 375.476 3.799 20 0 GHADHM CCCCC[C@@H](C)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821048679 599141166 /nfs/dbraw/zinc/14/11/66/599141166.db2.gz FOIHJNNUSMHHAJ-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CCCCC[C@@H](C)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821048679 599141169 /nfs/dbraw/zinc/14/11/69/599141169.db2.gz FOIHJNNUSMHHAJ-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000822227902 599141994 /nfs/dbraw/zinc/14/19/94/599141994.db2.gz ZTFNBSQPODRITG-ZDUSSCGKSA-N -1 3 390.403 3.698 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000822227902 599141995 /nfs/dbraw/zinc/14/19/95/599141995.db2.gz ZTFNBSQPODRITG-ZDUSSCGKSA-N -1 3 390.403 3.698 20 0 GHADHM O=C(CC1CCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822940996 599142676 /nfs/dbraw/zinc/14/26/76/599142676.db2.gz MMSIUNKSUUIPIR-UHFFFAOYSA-N -1 3 379.439 3.725 20 0 GHADHM O=C(CC1CCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822940996 599142678 /nfs/dbraw/zinc/14/26/78/599142678.db2.gz MMSIUNKSUUIPIR-UHFFFAOYSA-N -1 3 379.439 3.725 20 0 GHADHM O=C(CCC(F)(F)F)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822950546 599142943 /nfs/dbraw/zinc/14/29/43/599142943.db2.gz SFGAEDBKVMOKEY-UHFFFAOYSA-N -1 3 391.353 3.727 20 0 GHADHM O=C(CCC(F)(F)F)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822950546 599142945 /nfs/dbraw/zinc/14/29/45/599142945.db2.gz SFGAEDBKVMOKEY-UHFFFAOYSA-N -1 3 391.353 3.727 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000820117301 599145866 /nfs/dbraw/zinc/14/58/66/599145866.db2.gz ZVBLVPBDTGPKSQ-LJQANCHMSA-N -1 3 393.516 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000820117301 599145867 /nfs/dbraw/zinc/14/58/67/599145867.db2.gz ZVBLVPBDTGPKSQ-LJQANCHMSA-N -1 3 393.516 3.634 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735639690 599146960 /nfs/dbraw/zinc/14/69/60/599146960.db2.gz NFAMQYYCVJMQIL-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735639690 599146963 /nfs/dbraw/zinc/14/69/63/599146963.db2.gz NFAMQYYCVJMQIL-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM COc1ccc(-c2ncc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)s2)cc1 ZINC000821731922 599148344 /nfs/dbraw/zinc/14/83/44/599148344.db2.gz IRQHDMISJFDIBS-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(-c2ncc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)s2)cc1 ZINC000821731922 599148345 /nfs/dbraw/zinc/14/83/45/599148345.db2.gz IRQHDMISJFDIBS-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(F)(F)F ZINC000819864980 599152609 /nfs/dbraw/zinc/15/26/09/599152609.db2.gz BDPVKZGQDQGPHF-SNVBAGLBSA-N -1 3 377.326 3.796 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(F)(F)F ZINC000819864980 599152610 /nfs/dbraw/zinc/15/26/10/599152610.db2.gz BDPVKZGQDQGPHF-SNVBAGLBSA-N -1 3 377.326 3.796 20 0 GHADHM Brc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000735369878 599158182 /nfs/dbraw/zinc/15/81/82/599158182.db2.gz ZRJYCECBOIDZBD-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Cc1cc(N2CCC[C@H]2c2ccco2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271591 599169115 /nfs/dbraw/zinc/16/91/15/599169115.db2.gz MEQYSDHOLURIRC-INIZCTEOSA-N -1 3 385.431 3.911 20 0 GHADHM Cc1cc(N2CCC[C@H]2c2ccco2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271591 599169117 /nfs/dbraw/zinc/16/91/17/599169117.db2.gz MEQYSDHOLURIRC-INIZCTEOSA-N -1 3 385.431 3.911 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1SC(F)(F)F ZINC000823242274 599169922 /nfs/dbraw/zinc/16/99/22/599169922.db2.gz SQSLFSIWRVEPPR-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1SC(F)(F)F ZINC000823242274 599169924 /nfs/dbraw/zinc/16/99/24/599169924.db2.gz SQSLFSIWRVEPPR-UHFFFAOYSA-N -1 3 397.357 3.548 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@@H]1CCSc2ccccc21 ZINC000738208257 599178949 /nfs/dbraw/zinc/17/89/49/599178949.db2.gz KYZYSRWVMPUSJF-LLVKDONJSA-N -1 3 383.502 3.635 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@@H]1CCSc2ccccc21 ZINC000738208257 599178950 /nfs/dbraw/zinc/17/89/50/599178950.db2.gz KYZYSRWVMPUSJF-LLVKDONJSA-N -1 3 383.502 3.635 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737303740 599180388 /nfs/dbraw/zinc/18/03/88/599180388.db2.gz OLNGZSUFZKMBOT-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737303740 599180390 /nfs/dbraw/zinc/18/03/90/599180390.db2.gz OLNGZSUFZKMBOT-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820938479 599180881 /nfs/dbraw/zinc/18/08/81/599180881.db2.gz JSGSXZRUUKBHJW-SFHVURJKSA-N -1 3 397.454 3.603 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820938479 599180884 /nfs/dbraw/zinc/18/08/84/599180884.db2.gz JSGSXZRUUKBHJW-SFHVURJKSA-N -1 3 397.454 3.603 20 0 GHADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735515094 599183973 /nfs/dbraw/zinc/18/39/73/599183973.db2.gz ZHTAWKAAPCVFFK-LLVKDONJSA-N -1 3 375.354 3.652 20 0 GHADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735515094 599183975 /nfs/dbraw/zinc/18/39/75/599183975.db2.gz ZHTAWKAAPCVFFK-LLVKDONJSA-N -1 3 375.354 3.652 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000736633643 599184769 /nfs/dbraw/zinc/18/47/69/599184769.db2.gz DAKNWJVCMZLFQC-UHFFFAOYSA-N -1 3 388.431 3.523 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000736633643 599184771 /nfs/dbraw/zinc/18/47/71/599184771.db2.gz DAKNWJVCMZLFQC-UHFFFAOYSA-N -1 3 388.431 3.523 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1Cc2ccccc21 ZINC000738175522 599186595 /nfs/dbraw/zinc/18/65/95/599186595.db2.gz ONAAZGNTYZWHHR-LJQANCHMSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1Cc2ccccc21 ZINC000738175522 599186598 /nfs/dbraw/zinc/18/65/98/599186598.db2.gz ONAAZGNTYZWHHR-LJQANCHMSA-N -1 3 383.411 3.937 20 0 GHADHM CCc1cnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000821499983 599196243 /nfs/dbraw/zinc/19/62/43/599196243.db2.gz ZDSUVLSEEKPAIE-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1cnc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000821499983 599196246 /nfs/dbraw/zinc/19/62/46/599196246.db2.gz ZDSUVLSEEKPAIE-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CC[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCS1 ZINC000820988839 599213440 /nfs/dbraw/zinc/21/34/40/599213440.db2.gz HOMTWJINUBENEF-SFHVURJKSA-N -1 3 395.488 3.627 20 0 GHADHM CC[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000820988839 599213441 /nfs/dbraw/zinc/21/34/41/599213441.db2.gz HOMTWJINUBENEF-SFHVURJKSA-N -1 3 395.488 3.627 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCS1 ZINC000820988838 599213602 /nfs/dbraw/zinc/21/36/02/599213602.db2.gz HOMTWJINUBENEF-GOSISDBHSA-N -1 3 395.488 3.627 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCS1 ZINC000820988838 599213604 /nfs/dbraw/zinc/21/36/04/599213604.db2.gz HOMTWJINUBENEF-GOSISDBHSA-N -1 3 395.488 3.627 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821481528 599220696 /nfs/dbraw/zinc/22/06/96/599220696.db2.gz KWRSNVPTJBAJSB-BEFAXECRSA-N -1 3 393.491 3.955 20 0 GHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821481528 599220699 /nfs/dbraw/zinc/22/06/99/599220699.db2.gz KWRSNVPTJBAJSB-BEFAXECRSA-N -1 3 393.491 3.955 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3ccc(Cl)cc3-c3nnn[n-]3)C2)c1 ZINC000737138486 599231546 /nfs/dbraw/zinc/23/15/46/599231546.db2.gz IMRKQQOFMQQVFC-AWEZNQCLSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3ccc(Cl)cc3-c3nn[n-]n3)C2)c1 ZINC000737138486 599231548 /nfs/dbraw/zinc/23/15/48/599231548.db2.gz IMRKQQOFMQQVFC-AWEZNQCLSA-N -1 3 384.871 3.610 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCCCc2ccccc21 ZINC000737932438 599232257 /nfs/dbraw/zinc/23/22/57/599232257.db2.gz MIWKDLBBCGIZGA-UHFFFAOYSA-N -1 3 393.516 3.860 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCCCc2ccccc21 ZINC000737932438 599232258 /nfs/dbraw/zinc/23/22/58/599232258.db2.gz MIWKDLBBCGIZGA-UHFFFAOYSA-N -1 3 393.516 3.860 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737833643 599227679 /nfs/dbraw/zinc/22/76/79/599227679.db2.gz ZCLPWGVDGGNYGB-SOLBZPMBSA-N -1 3 383.496 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737833643 599227683 /nfs/dbraw/zinc/22/76/83/599227683.db2.gz ZCLPWGVDGGNYGB-SOLBZPMBSA-N -1 3 383.496 3.501 20 0 GHADHM CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736400856 599240659 /nfs/dbraw/zinc/24/06/59/599240659.db2.gz CXTZWBDJKAGBRD-LLVKDONJSA-N -1 3 380.399 3.512 20 0 GHADHM CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736400856 599240661 /nfs/dbraw/zinc/24/06/61/599240661.db2.gz CXTZWBDJKAGBRD-LLVKDONJSA-N -1 3 380.399 3.512 20 0 GHADHM Cc1c(NC(=O)c2cc3cc(Br)ccc3o2)cccc1-c1nnn[n-]1 ZINC000822107822 607270014 /nfs/dbraw/zinc/27/00/14/607270014.db2.gz DPNALAKKXQGKBN-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c(NC(=O)c2cc3cc(Br)ccc3o2)cccc1-c1nn[n-]n1 ZINC000822107822 607270015 /nfs/dbraw/zinc/27/00/15/607270015.db2.gz DPNALAKKXQGKBN-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cccc1-c1nnn[n-]1 ZINC000822102893 607271654 /nfs/dbraw/zinc/27/16/54/607271654.db2.gz DVXNDJWLAVLFRF-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cccc1-c1nn[n-]n1 ZINC000822102893 607271655 /nfs/dbraw/zinc/27/16/55/607271655.db2.gz DVXNDJWLAVLFRF-UHFFFAOYSA-N -1 3 386.824 3.797 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000736116901 599243405 /nfs/dbraw/zinc/24/34/05/599243405.db2.gz PJYFRRSYODMGLV-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1ncc2cc(NC(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000736116901 599243406 /nfs/dbraw/zinc/24/34/06/599243406.db2.gz PJYFRRSYODMGLV-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cccc1-c1nnn[n-]1 ZINC000822091495 607285635 /nfs/dbraw/zinc/28/56/35/607285635.db2.gz RRWYIIHQPMYPEF-HNNXBMFYSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cccc1-c1nn[n-]n1 ZINC000822091495 607285636 /nfs/dbraw/zinc/28/56/36/607285636.db2.gz RRWYIIHQPMYPEF-HNNXBMFYSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822088925 607285762 /nfs/dbraw/zinc/28/57/62/607285762.db2.gz BMNHKBYYNWNCOL-AWEZNQCLSA-N -1 3 376.342 3.600 20 0 GHADHM Cc1c(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822088925 607285763 /nfs/dbraw/zinc/28/57/63/607285763.db2.gz BMNHKBYYNWNCOL-AWEZNQCLSA-N -1 3 376.342 3.600 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820352367 599262122 /nfs/dbraw/zinc/26/21/22/599262122.db2.gz VBVSMMGLCHDFSE-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820352367 599262124 /nfs/dbraw/zinc/26/21/24/599262124.db2.gz VBVSMMGLCHDFSE-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM Cc1c(NC(=O)c2ccc(Br)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822109300 607296935 /nfs/dbraw/zinc/29/69/35/607296935.db2.gz PUZLUUVYYCPYGX-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2ccc(Br)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822109300 607296936 /nfs/dbraw/zinc/29/69/36/607296936.db2.gz PUZLUUVYYCPYGX-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1sc(NC(=O)c2cccc(OCC(F)(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000822563713 607303998 /nfs/dbraw/zinc/30/39/98/607303998.db2.gz MFDRRERNFZVITL-UHFFFAOYSA-N -1 3 397.382 3.738 20 0 GHADHM Cc1sc(NC(=O)c2cccc(OCC(F)(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000822563713 607303999 /nfs/dbraw/zinc/30/39/99/607303999.db2.gz MFDRRERNFZVITL-UHFFFAOYSA-N -1 3 397.382 3.738 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000821761913 599271618 /nfs/dbraw/zinc/27/16/18/599271618.db2.gz GUTMCYYJAOHQQK-GOSISDBHSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000821761913 599271620 /nfs/dbraw/zinc/27/16/20/599271620.db2.gz GUTMCYYJAOHQQK-GOSISDBHSA-N -1 3 392.463 3.943 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820741571 599275912 /nfs/dbraw/zinc/27/59/12/599275912.db2.gz DKCOICXUSHBMTE-CZUORRHYSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820741571 599275915 /nfs/dbraw/zinc/27/59/15/599275915.db2.gz DKCOICXUSHBMTE-CZUORRHYSA-N -1 3 380.427 3.663 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000823299055 599278128 /nfs/dbraw/zinc/27/81/28/599278128.db2.gz FMLIQYVKLJVHRG-OLZOCXBDSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000823299055 599278130 /nfs/dbraw/zinc/27/81/30/599278130.db2.gz FMLIQYVKLJVHRG-OLZOCXBDSA-N -1 3 392.410 3.558 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000736488477 599279061 /nfs/dbraw/zinc/27/90/61/599279061.db2.gz RQVDNAHGSLICBK-UHFFFAOYSA-N -1 3 379.399 3.561 20 0 GHADHM CC(C)c1nc2cc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000735943858 599280169 /nfs/dbraw/zinc/28/01/69/599280169.db2.gz UTBOBLONYBLJLJ-UHFFFAOYSA-N -1 3 391.435 3.795 20 0 GHADHM CC(C)c1nc2cc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000735943858 599280172 /nfs/dbraw/zinc/28/01/72/599280172.db2.gz UTBOBLONYBLJLJ-UHFFFAOYSA-N -1 3 391.435 3.795 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000822929427 607320621 /nfs/dbraw/zinc/32/06/21/607320621.db2.gz UGGFSRVOUJFHBQ-UFUQCMIWSA-N -1 3 395.413 3.912 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000822929427 607320622 /nfs/dbraw/zinc/32/06/22/607320622.db2.gz UGGFSRVOUJFHBQ-UFUQCMIWSA-N -1 3 395.413 3.912 20 0 GHADHM CN(C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CCC1 ZINC000821571828 599281602 /nfs/dbraw/zinc/28/16/02/599281602.db2.gz HFCYMXAYOINPLH-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM CN(C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CCC1 ZINC000821571828 599281605 /nfs/dbraw/zinc/28/16/05/599281605.db2.gz HFCYMXAYOINPLH-UHFFFAOYSA-N -1 3 396.426 3.601 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000822248614 599282105 /nfs/dbraw/zinc/28/21/05/599282105.db2.gz HEKODGNVONAHMN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000822248614 599282108 /nfs/dbraw/zinc/28/21/08/599282108.db2.gz HEKODGNVONAHMN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1nc2c3ccccc3nc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2n1 ZINC000737487916 599288736 /nfs/dbraw/zinc/28/87/36/599288736.db2.gz LNEARMRERBHQTM-NSHDSACASA-N -1 3 388.460 3.619 20 0 GHADHM Cc1nc2c3ccccc3nc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2n1 ZINC000737487916 599288738 /nfs/dbraw/zinc/28/87/38/599288738.db2.gz LNEARMRERBHQTM-NSHDSACASA-N -1 3 388.460 3.619 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822477487 607328957 /nfs/dbraw/zinc/32/89/57/607328957.db2.gz LYSNEVFNPPFHEU-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccccc2)CCC1 ZINC000826420924 607845037 /nfs/dbraw/zinc/84/50/37/607845037.db2.gz JILZEFYADSEAFC-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccccc2)CCC1 ZINC000826420924 607845038 /nfs/dbraw/zinc/84/50/38/607845038.db2.gz JILZEFYADSEAFC-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736459580 598231983 /nfs/dbraw/zinc/23/19/83/598231983.db2.gz FNCFCNISRIUCSR-AWEZNQCLSA-N -1 3 381.436 3.803 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736459580 598231984 /nfs/dbraw/zinc/23/19/84/598231984.db2.gz FNCFCNISRIUCSR-AWEZNQCLSA-N -1 3 381.436 3.803 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736668456 598234377 /nfs/dbraw/zinc/23/43/77/598234377.db2.gz XZRVKPDHHIGKFZ-UHFFFAOYSA-N -1 3 388.884 3.683 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000737509510 598238560 /nfs/dbraw/zinc/23/85/60/598238560.db2.gz OBJXRSCXERKMNP-UHFFFAOYSA-N -1 3 377.427 3.545 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000737509510 598238561 /nfs/dbraw/zinc/23/85/61/598238561.db2.gz OBJXRSCXERKMNP-UHFFFAOYSA-N -1 3 377.427 3.545 20 0 GHADHM O=C(Cc1ccccc1O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737975156 598260878 /nfs/dbraw/zinc/26/08/78/598260878.db2.gz USKDENKMFDMOMI-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000736635842 598263574 /nfs/dbraw/zinc/26/35/74/598263574.db2.gz HRPDVXRTFSUFEB-IBGZPJMESA-N -1 3 392.463 3.928 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000736635842 598263576 /nfs/dbraw/zinc/26/35/76/598263576.db2.gz HRPDVXRTFSUFEB-IBGZPJMESA-N -1 3 392.463 3.928 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736665617 598266930 /nfs/dbraw/zinc/26/69/30/598266930.db2.gz GVSBIXBXTJFYPM-UHFFFAOYSA-N -1 3 388.884 3.954 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736665617 598266932 /nfs/dbraw/zinc/26/69/32/598266932.db2.gz GVSBIXBXTJFYPM-UHFFFAOYSA-N -1 3 388.884 3.954 20 0 GHADHM O=C(CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC1CCCCC1 ZINC000737897602 598283709 /nfs/dbraw/zinc/28/37/09/598283709.db2.gz AZSADQBMOGBWCN-UHFFFAOYSA-N -1 3 392.463 3.520 20 0 GHADHM O=C(CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC1CCCCC1 ZINC000737897602 598283710 /nfs/dbraw/zinc/28/37/10/598283710.db2.gz AZSADQBMOGBWCN-UHFFFAOYSA-N -1 3 392.463 3.520 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3ccco3)nc2C)c(-c2nnn[n-]2)c1C ZINC000737463993 598296376 /nfs/dbraw/zinc/29/63/76/598296376.db2.gz BNVCKUZSMGBGIC-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3ccco3)nc2C)c(-c2nn[n-]n2)c1C ZINC000737463993 598296377 /nfs/dbraw/zinc/29/63/77/598296377.db2.gz BNVCKUZSMGBGIC-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM c1cc(-c2noc(COc3ccc(-c4ccc(-c5nnn[n-]5)cc4)cc3)n2)co1 ZINC000738412083 598296564 /nfs/dbraw/zinc/29/65/64/598296564.db2.gz HBJYJBAAOHFVGF-UHFFFAOYSA-N -1 3 386.371 3.756 20 0 GHADHM c1cc(-c2noc(COc3ccc(-c4ccc(-c5nn[n-]n5)cc4)cc3)n2)co1 ZINC000738412083 598296566 /nfs/dbraw/zinc/29/65/66/598296566.db2.gz HBJYJBAAOHFVGF-UHFFFAOYSA-N -1 3 386.371 3.756 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736324212 598297108 /nfs/dbraw/zinc/29/71/08/598297108.db2.gz CATXNWGESHBTEW-GAJOTYCWSA-N -1 3 395.438 3.859 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736324212 598297110 /nfs/dbraw/zinc/29/71/10/598297110.db2.gz CATXNWGESHBTEW-GAJOTYCWSA-N -1 3 395.438 3.859 20 0 GHADHM CN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733167 598310994 /nfs/dbraw/zinc/31/09/94/598310994.db2.gz RWOPRRFMROQEGH-UHFFFAOYSA-N -1 3 387.418 3.801 20 0 GHADHM CN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733167 598310996 /nfs/dbraw/zinc/31/09/96/598310996.db2.gz RWOPRRFMROQEGH-UHFFFAOYSA-N -1 3 387.418 3.801 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735992707 598316524 /nfs/dbraw/zinc/31/65/24/598316524.db2.gz LQXBWLDKSLNSOK-LBPRGKRZSA-N -1 3 386.912 3.828 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735992707 598316526 /nfs/dbraw/zinc/31/65/26/598316526.db2.gz LQXBWLDKSLNSOK-LBPRGKRZSA-N -1 3 386.912 3.828 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000738402189 598319574 /nfs/dbraw/zinc/31/95/74/598319574.db2.gz ZPCISGLQVSCBMJ-HNNXBMFYSA-N -1 3 398.923 3.924 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000738402189 598319577 /nfs/dbraw/zinc/31/95/77/598319577.db2.gz ZPCISGLQVSCBMJ-HNNXBMFYSA-N -1 3 398.923 3.924 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1C1CCCC1 ZINC000738400511 598323105 /nfs/dbraw/zinc/32/31/05/598323105.db2.gz FOOFXBVFCUFFFG-HNNXBMFYSA-N -1 3 376.917 3.872 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1C1CCCC1 ZINC000738400511 598323107 /nfs/dbraw/zinc/32/31/07/598323107.db2.gz FOOFXBVFCUFFFG-HNNXBMFYSA-N -1 3 376.917 3.872 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737360501 598324348 /nfs/dbraw/zinc/32/43/48/598324348.db2.gz PNRTYISXRVJAPT-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737360501 598324349 /nfs/dbraw/zinc/32/43/49/598324349.db2.gz PNRTYISXRVJAPT-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(NCCC1=CCCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738054176 598326098 /nfs/dbraw/zinc/32/60/98/598326098.db2.gz CCYCBJZYRYJXIS-UHFFFAOYSA-N -1 3 393.447 3.659 20 0 GHADHM O=C(NCCC1=CCCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738054176 598326099 /nfs/dbraw/zinc/32/60/99/598326099.db2.gz CCYCBJZYRYJXIS-UHFFFAOYSA-N -1 3 393.447 3.659 20 0 GHADHM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)sc1-c1ccc(F)cc1 ZINC000737236568 598327563 /nfs/dbraw/zinc/32/75/63/598327563.db2.gz NPAOLMPQUHMFGE-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)sc1-c1ccc(F)cc1 ZINC000737236568 598327564 /nfs/dbraw/zinc/32/75/64/598327564.db2.gz NPAOLMPQUHMFGE-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM O=C(Oc1cc(F)cc(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738250577 598329743 /nfs/dbraw/zinc/32/97/43/598329743.db2.gz IHJKXAWBDVFGOX-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM O=C(Oc1cc(F)cc(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738250577 598329744 /nfs/dbraw/zinc/32/97/44/598329744.db2.gz IHJKXAWBDVFGOX-UHFFFAOYSA-N -1 3 398.325 3.536 20 0 GHADHM c1ccc(-c2nnc(SCCOc3ccccc3-c3nnn[n-]3)s2)cc1 ZINC000738424108 598359922 /nfs/dbraw/zinc/35/99/22/598359922.db2.gz WILHKHSDOKQENG-UHFFFAOYSA-N -1 3 382.474 3.556 20 0 GHADHM c1ccc(-c2nnc(SCCOc3ccccc3-c3nn[n-]n3)s2)cc1 ZINC000738424108 598359924 /nfs/dbraw/zinc/35/99/24/598359924.db2.gz WILHKHSDOKQENG-UHFFFAOYSA-N -1 3 382.474 3.556 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)COc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000737380011 598367353 /nfs/dbraw/zinc/36/73/53/598367353.db2.gz KATZAMKWKNUDDT-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1cccc(-c2cccc(CNC(=O)COc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000737380011 598367355 /nfs/dbraw/zinc/36/73/55/598367355.db2.gz KATZAMKWKNUDDT-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735648437 598375372 /nfs/dbraw/zinc/37/53/72/598375372.db2.gz FACVRKNSPMVIOO-IBGZPJMESA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735648437 598375375 /nfs/dbraw/zinc/37/53/75/598375375.db2.gz FACVRKNSPMVIOO-IBGZPJMESA-N -1 3 394.475 3.721 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502609 598395593 /nfs/dbraw/zinc/39/55/93/598395593.db2.gz ORPYGIUOLDLZQB-VHKYSDTDSA-N -1 3 391.475 3.589 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502609 598395594 /nfs/dbraw/zinc/39/55/94/598395594.db2.gz ORPYGIUOLDLZQB-VHKYSDTDSA-N -1 3 391.475 3.589 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000737220640 598396056 /nfs/dbraw/zinc/39/60/56/598396056.db2.gz DBXGMGBMLGPNHB-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000736210925 598397110 /nfs/dbraw/zinc/39/71/10/598397110.db2.gz IQBSMGQKTHTBMX-UHFFFAOYSA-N -1 3 397.508 3.568 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000736210925 598397111 /nfs/dbraw/zinc/39/71/11/598397111.db2.gz IQBSMGQKTHTBMX-UHFFFAOYSA-N -1 3 397.508 3.568 20 0 GHADHM CN(C(=O)c1sccc1SC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740851 598420916 /nfs/dbraw/zinc/42/09/16/598420916.db2.gz HKIKQEXXDBGEPT-UHFFFAOYSA-N -1 3 385.396 3.659 20 0 GHADHM CN(C(=O)c1sccc1SC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740851 598420918 /nfs/dbraw/zinc/42/09/18/598420918.db2.gz HKIKQEXXDBGEPT-UHFFFAOYSA-N -1 3 385.396 3.659 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736103485 598422076 /nfs/dbraw/zinc/42/20/76/598422076.db2.gz WVHXBFFDOYDWJR-OCHBPSSRSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736103485 598422079 /nfs/dbraw/zinc/42/20/79/598422079.db2.gz WVHXBFFDOYDWJR-OCHBPSSRSA-N -1 3 375.457 3.972 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736128477 598422672 /nfs/dbraw/zinc/42/26/72/598422672.db2.gz XJUXDEAVAOGRLW-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736128477 598422675 /nfs/dbraw/zinc/42/26/75/598422675.db2.gz XJUXDEAVAOGRLW-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735733576 598425715 /nfs/dbraw/zinc/42/57/15/598425715.db2.gz BNHWKZMCAVFNQS-KRWDZBQOSA-N -1 3 386.452 3.866 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735733576 598425717 /nfs/dbraw/zinc/42/57/17/598425717.db2.gz BNHWKZMCAVFNQS-KRWDZBQOSA-N -1 3 386.452 3.866 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000735875334 598428015 /nfs/dbraw/zinc/42/80/15/598428015.db2.gz SWJGWQCAKXYRAR-SFHVURJKSA-N -1 3 396.520 4.000 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000735875334 598428017 /nfs/dbraw/zinc/42/80/17/598428017.db2.gz SWJGWQCAKXYRAR-SFHVURJKSA-N -1 3 396.520 4.000 20 0 GHADHM COc1cccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737127320 598430132 /nfs/dbraw/zinc/43/01/32/598430132.db2.gz QHJODWDXHQUXPU-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM COc1cccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737127320 598430133 /nfs/dbraw/zinc/43/01/33/598430133.db2.gz QHJODWDXHQUXPU-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM COc1cccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737127323 598430360 /nfs/dbraw/zinc/43/03/60/598430360.db2.gz QHJODWDXHQUXPU-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM COc1cccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737127323 598430362 /nfs/dbraw/zinc/43/03/62/598430362.db2.gz QHJODWDXHQUXPU-OAHLLOKOSA-N -1 3 394.479 3.557 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736820307 598431068 /nfs/dbraw/zinc/43/10/68/598431068.db2.gz UYNJIYUBDPSABG-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736820307 598431070 /nfs/dbraw/zinc/43/10/70/598431070.db2.gz UYNJIYUBDPSABG-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CCCOCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736487314 598432598 /nfs/dbraw/zinc/43/25/98/598432598.db2.gz DRAOTPLFESVLDM-UHFFFAOYSA-N -1 3 398.488 3.742 20 0 GHADHM CCCOCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736487314 598432600 /nfs/dbraw/zinc/43/26/00/598432600.db2.gz DRAOTPLFESVLDM-UHFFFAOYSA-N -1 3 398.488 3.742 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737252407 598433664 /nfs/dbraw/zinc/43/36/64/598433664.db2.gz HLNGROIIRYNPNE-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737252407 598433665 /nfs/dbraw/zinc/43/36/65/598433665.db2.gz HLNGROIIRYNPNE-MRXNPFEDSA-N -1 3 390.491 3.919 20 0 GHADHM CC[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)c1c(C)noc1C ZINC000736313581 598442128 /nfs/dbraw/zinc/44/21/28/598442128.db2.gz NLOSRLJUZYHQFS-SFHVURJKSA-N -1 3 396.495 3.650 20 0 GHADHM CC[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)c1c(C)noc1C ZINC000736313581 598442129 /nfs/dbraw/zinc/44/21/29/598442129.db2.gz NLOSRLJUZYHQFS-SFHVURJKSA-N -1 3 396.495 3.650 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1ccccc1Cl ZINC000736633390 598443779 /nfs/dbraw/zinc/44/37/79/598443779.db2.gz ASKGUNVITYHROD-BENRWUELSA-N -1 3 383.839 3.961 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1ccccc1Cl ZINC000736633390 598443781 /nfs/dbraw/zinc/44/37/81/598443781.db2.gz ASKGUNVITYHROD-BENRWUELSA-N -1 3 383.839 3.961 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000736116628 598450941 /nfs/dbraw/zinc/45/09/41/598450941.db2.gz CCNINGYFNSAAGP-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000736116628 598450942 /nfs/dbraw/zinc/45/09/42/598450942.db2.gz CCNINGYFNSAAGP-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM Cc1ccccc1CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000737426984 598468214 /nfs/dbraw/zinc/46/82/14/598468214.db2.gz OTYYUZFMGAKGLE-UHFFFAOYSA-N -1 3 393.495 3.928 20 0 GHADHM Cc1ccccc1CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000737426984 598468215 /nfs/dbraw/zinc/46/82/15/598468215.db2.gz OTYYUZFMGAKGLE-UHFFFAOYSA-N -1 3 393.495 3.928 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159796 598484684 /nfs/dbraw/zinc/48/46/84/598484684.db2.gz OQVLZWRZIKUTOR-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159796 598484685 /nfs/dbraw/zinc/48/46/85/598484685.db2.gz OQVLZWRZIKUTOR-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000737288117 598485173 /nfs/dbraw/zinc/48/51/73/598485173.db2.gz KEQOTZNZUPMXFW-GFCCVEGCSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000737288117 598485174 /nfs/dbraw/zinc/48/51/74/598485174.db2.gz KEQOTZNZUPMXFW-GFCCVEGCSA-N -1 3 395.444 3.739 20 0 GHADHM C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157285 598487650 /nfs/dbraw/zinc/48/76/50/598487650.db2.gz JTWFHQNKORRZBX-HNNXBMFYSA-N -1 3 392.463 3.560 20 0 GHADHM C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157285 598487652 /nfs/dbraw/zinc/48/76/52/598487652.db2.gz JTWFHQNKORRZBX-HNNXBMFYSA-N -1 3 392.463 3.560 20 0 GHADHM CC(C)c1cccc(OCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000735931974 598488504 /nfs/dbraw/zinc/48/85/04/598488504.db2.gz HVHSPJJWLJJVAP-UHFFFAOYSA-N -1 3 382.468 3.564 20 0 GHADHM CC(C)c1cccc(OCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000735931974 598488505 /nfs/dbraw/zinc/48/85/05/598488505.db2.gz HVHSPJJWLJJVAP-UHFFFAOYSA-N -1 3 382.468 3.564 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(Cl)s1 ZINC000735660293 598489392 /nfs/dbraw/zinc/48/93/92/598489392.db2.gz LHHXHJDGWHMSNB-UHFFFAOYSA-N -1 3 378.889 3.709 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(Cl)s1 ZINC000735660293 598489393 /nfs/dbraw/zinc/48/93/93/598489393.db2.gz LHHXHJDGWHMSNB-UHFFFAOYSA-N -1 3 378.889 3.709 20 0 GHADHM COc1cc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)ccc1C ZINC000518646505 598493124 /nfs/dbraw/zinc/49/31/24/598493124.db2.gz QQVTZAMFHHEOQC-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM COc1cc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)ccc1C ZINC000518646505 598493126 /nfs/dbraw/zinc/49/31/26/598493126.db2.gz QQVTZAMFHHEOQC-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737813896 598493787 /nfs/dbraw/zinc/49/37/87/598493787.db2.gz LMYBMNOXRCPAAZ-UHFFFAOYSA-N -1 3 375.476 3.847 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737813896 598493788 /nfs/dbraw/zinc/49/37/88/598493788.db2.gz LMYBMNOXRCPAAZ-UHFFFAOYSA-N -1 3 375.476 3.847 20 0 GHADHM Cc1sc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(-c2nnn[n-]2)c1C ZINC000737563600 598497692 /nfs/dbraw/zinc/49/76/92/598497692.db2.gz NORMXXNHEBKKID-UHFFFAOYSA-N -1 3 386.868 3.861 20 0 GHADHM Cc1sc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(-c2nn[n-]n2)c1C ZINC000737563600 598497694 /nfs/dbraw/zinc/49/76/94/598497694.db2.gz NORMXXNHEBKKID-UHFFFAOYSA-N -1 3 386.868 3.861 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785849 598513373 /nfs/dbraw/zinc/51/33/73/598513373.db2.gz HGVJOHSFCLYAEE-KBPBESRZSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785849 598513375 /nfs/dbraw/zinc/51/33/75/598513375.db2.gz HGVJOHSFCLYAEE-KBPBESRZSA-N -1 3 388.258 3.593 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)nc3ccccc32)c1-c1nnn[n-]1 ZINC000736675279 598517511 /nfs/dbraw/zinc/51/75/11/598517511.db2.gz JIDDABMSSAVLNU-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(C)nc3ccccc32)c1-c1nn[n-]n1 ZINC000736675279 598517513 /nfs/dbraw/zinc/51/75/13/598517513.db2.gz JIDDABMSSAVLNU-UHFFFAOYSA-N -1 3 378.461 3.908 20 0 GHADHM C[C@@H](NC(=O)NCCCCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119535 598527323 /nfs/dbraw/zinc/52/73/23/598527323.db2.gz SGZBDIRLYUCMCD-MRXNPFEDSA-N -1 3 378.480 3.640 20 0 GHADHM C[C@@H](NC(=O)NCCCCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119535 598527325 /nfs/dbraw/zinc/52/73/25/598527325.db2.gz SGZBDIRLYUCMCD-MRXNPFEDSA-N -1 3 378.480 3.640 20 0 GHADHM COc1cccc(C2(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000737125329 598533167 /nfs/dbraw/zinc/53/31/67/598533167.db2.gz BSXAMKNCJZAHGT-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM COc1cccc(C2(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737125329 598533169 /nfs/dbraw/zinc/53/31/69/598533169.db2.gz BSXAMKNCJZAHGT-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1cccs1 ZINC000736120204 598538648 /nfs/dbraw/zinc/53/86/48/598538648.db2.gz VETRMRPXNKKPNR-LBPRGKRZSA-N -1 3 395.444 3.591 20 0 GHADHM CCCCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736440205 598543443 /nfs/dbraw/zinc/54/34/43/598543443.db2.gz AZVJEVWNUQJMNB-GOSISDBHSA-N -1 3 379.464 3.683 20 0 GHADHM CCCCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736440205 598543445 /nfs/dbraw/zinc/54/34/45/598543445.db2.gz AZVJEVWNUQJMNB-GOSISDBHSA-N -1 3 379.464 3.683 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CC=CCC1 ZINC000738172547 598544472 /nfs/dbraw/zinc/54/44/72/598544472.db2.gz NUEIAMVLSKPJBV-INIZCTEOSA-N -1 3 375.432 3.741 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CC=CCC1 ZINC000738172547 598544474 /nfs/dbraw/zinc/54/44/74/598544474.db2.gz NUEIAMVLSKPJBV-INIZCTEOSA-N -1 3 375.432 3.741 20 0 GHADHM COc1ccccc1-c1nc(COc2ccc(-c3nnn[n-]3)c(F)c2)cs1 ZINC000737142158 598548084 /nfs/dbraw/zinc/54/80/84/598548084.db2.gz IANUWGQBOYECSO-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1ccccc1-c1nc(COc2ccc(-c3nn[n-]n3)c(F)c2)cs1 ZINC000737142158 598548085 /nfs/dbraw/zinc/54/80/85/598548085.db2.gz IANUWGQBOYECSO-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735514083 598552911 /nfs/dbraw/zinc/55/29/11/598552911.db2.gz PLLLFVNXDXRBLZ-AWEZNQCLSA-N -1 3 391.406 3.936 20 0 GHADHM C[C@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735514083 598552912 /nfs/dbraw/zinc/55/29/12/598552912.db2.gz PLLLFVNXDXRBLZ-AWEZNQCLSA-N -1 3 391.406 3.936 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H](C)CSC)cc1 ZINC000737033192 598553650 /nfs/dbraw/zinc/55/36/50/598553650.db2.gz UVMPKGLSKYSCCJ-LBPRGKRZSA-N -1 3 399.476 3.605 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H](C)CSC)cc1 ZINC000737033192 598553651 /nfs/dbraw/zinc/55/36/51/598553651.db2.gz UVMPKGLSKYSCCJ-LBPRGKRZSA-N -1 3 399.476 3.605 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c(C)n1 ZINC000737314678 598555587 /nfs/dbraw/zinc/55/55/87/598555587.db2.gz FZAHMVXCIPMXHR-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c(C)n1 ZINC000737314678 598555589 /nfs/dbraw/zinc/55/55/89/598555589.db2.gz FZAHMVXCIPMXHR-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1c[nH]c2ncccc12 ZINC000738173872 598557822 /nfs/dbraw/zinc/55/78/22/598557822.db2.gz UZHKMQPZIOPQGX-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Oc1cccnc1 ZINC000738231415 598558051 /nfs/dbraw/zinc/55/80/51/598558051.db2.gz MMCLNIATMJWJKI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Oc1cccnc1 ZINC000738231415 598558052 /nfs/dbraw/zinc/55/80/52/598558052.db2.gz MMCLNIATMJWJKI-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736399449 598562205 /nfs/dbraw/zinc/56/22/05/598562205.db2.gz GUMDXXLQBZPUSY-CMPLNLGQSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736399449 598562206 /nfs/dbraw/zinc/56/22/06/598562206.db2.gz GUMDXXLQBZPUSY-CMPLNLGQSA-N -1 3 380.399 3.558 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738144419 598568377 /nfs/dbraw/zinc/56/83/77/598568377.db2.gz LYQXHIFNUQDDTO-NEPJUHHUSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738144419 598568379 /nfs/dbraw/zinc/56/83/79/598568379.db2.gz LYQXHIFNUQDDTO-NEPJUHHUSA-N -1 3 375.766 3.541 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC000736290572 598577129 /nfs/dbraw/zinc/57/71/29/598577129.db2.gz QZLSJBIBRFRZID-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC000736290572 598577131 /nfs/dbraw/zinc/57/71/31/598577131.db2.gz QZLSJBIBRFRZID-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCc1cccc(C(F)(F)F)c1 ZINC000737853964 598585862 /nfs/dbraw/zinc/58/58/62/598585862.db2.gz PHFQDCPMAJZRSN-UHFFFAOYSA-N -1 3 390.365 3.604 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCc1cccc(C(F)(F)F)c1 ZINC000737853964 598585864 /nfs/dbraw/zinc/58/58/64/598585864.db2.gz PHFQDCPMAJZRSN-UHFFFAOYSA-N -1 3 390.365 3.604 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737464303 598589070 /nfs/dbraw/zinc/58/90/70/598589070.db2.gz JRQLUZQDJVFENZ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737464303 598589072 /nfs/dbraw/zinc/58/90/72/598589072.db2.gz JRQLUZQDJVFENZ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737564856 598592004 /nfs/dbraw/zinc/59/20/04/598592004.db2.gz XTMYWIKFWZZZTK-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737564856 598592006 /nfs/dbraw/zinc/59/20/06/598592006.db2.gz XTMYWIKFWZZZTK-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)[C@H]1CC=CCC1 ZINC000738171551 598594397 /nfs/dbraw/zinc/59/43/97/598594397.db2.gz FWGYPMVUJBZFRM-HNNXBMFYSA-N -1 3 393.422 3.880 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)[C@H]1CC=CCC1 ZINC000738171551 598594398 /nfs/dbraw/zinc/59/43/98/598594398.db2.gz FWGYPMVUJBZFRM-HNNXBMFYSA-N -1 3 393.422 3.880 20 0 GHADHM COc1cc(CSCCOc2cccc(-c3nnn[n-]3)c2)ccc1SC ZINC000737048339 598596682 /nfs/dbraw/zinc/59/66/82/598596682.db2.gz ZHKLYYWJXLNQMG-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM COc1cc(CSCCOc2cccc(-c3nn[n-]n3)c2)ccc1SC ZINC000737048339 598596683 /nfs/dbraw/zinc/59/66/83/598596683.db2.gz ZHKLYYWJXLNQMG-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000736633907 598598871 /nfs/dbraw/zinc/59/88/71/598598871.db2.gz GCPPTTIAMBRBPX-UHFFFAOYSA-N -1 3 396.451 3.835 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000736633907 598598872 /nfs/dbraw/zinc/59/88/72/598598872.db2.gz GCPPTTIAMBRBPX-UHFFFAOYSA-N -1 3 396.451 3.835 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000736821457 598617358 /nfs/dbraw/zinc/61/73/58/598617358.db2.gz VOGHOFWSPCLUHS-UHFFFAOYSA-N -1 3 393.516 3.930 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000736821457 598617360 /nfs/dbraw/zinc/61/73/60/598617360.db2.gz VOGHOFWSPCLUHS-UHFFFAOYSA-N -1 3 393.516 3.930 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735639399 598627620 /nfs/dbraw/zinc/62/76/20/598627620.db2.gz FQABFOWVQVZRNX-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735639399 598627622 /nfs/dbraw/zinc/62/76/22/598627622.db2.gz FQABFOWVQVZRNX-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000738162831 598631807 /nfs/dbraw/zinc/63/18/07/598631807.db2.gz NMPQPUDTJWWBFZ-QGZVFWFLSA-N -1 3 381.415 3.550 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000738162831 598631809 /nfs/dbraw/zinc/63/18/09/598631809.db2.gz NMPQPUDTJWWBFZ-QGZVFWFLSA-N -1 3 381.415 3.550 20 0 GHADHM CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736327596 598633961 /nfs/dbraw/zinc/63/39/61/598633961.db2.gz RCAHIZNDYLABNU-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736327596 598633962 /nfs/dbraw/zinc/63/39/62/598633962.db2.gz RCAHIZNDYLABNU-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CCCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736462052 598634318 /nfs/dbraw/zinc/63/43/18/598634318.db2.gz ZOUMSTPSMLYSPG-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CCCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736462052 598634320 /nfs/dbraw/zinc/63/43/20/598634320.db2.gz ZOUMSTPSMLYSPG-UHFFFAOYSA-N -1 3 384.415 3.506 20 0 GHADHM CC(C)CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735798405 598644534 /nfs/dbraw/zinc/64/45/34/598644534.db2.gz WIOSBQLSOKAFHY-CQSZACIVSA-N -1 3 380.452 3.609 20 0 GHADHM CC(C)CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735798405 598644536 /nfs/dbraw/zinc/64/45/36/598644536.db2.gz WIOSBQLSOKAFHY-CQSZACIVSA-N -1 3 380.452 3.609 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(Cl)c1Cl ZINC000737946370 598647982 /nfs/dbraw/zinc/64/79/82/598647982.db2.gz CPTJSMKBCIWTJA-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Cl)c1Cl ZINC000737946370 598647984 /nfs/dbraw/zinc/64/79/84/598647984.db2.gz CPTJSMKBCIWTJA-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738164381 598649443 /nfs/dbraw/zinc/64/94/43/598649443.db2.gz YEBWBEBYWFWPJE-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736253689 598649665 /nfs/dbraw/zinc/64/96/65/598649665.db2.gz VLTXPJYVQWLRRE-YOEHRIQHSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736253689 598649666 /nfs/dbraw/zinc/64/96/66/598649666.db2.gz VLTXPJYVQWLRRE-YOEHRIQHSA-N -1 3 392.463 3.705 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737320955 598650424 /nfs/dbraw/zinc/65/04/24/598650424.db2.gz RVQVBEMUIQCITC-QGZVFWFLSA-N -1 3 393.491 3.944 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737320955 598650426 /nfs/dbraw/zinc/65/04/26/598650426.db2.gz RVQVBEMUIQCITC-QGZVFWFLSA-N -1 3 393.491 3.944 20 0 GHADHM Cc1cccc2c1N(C(=O)c1ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc1)CC2 ZINC000737409171 598653174 /nfs/dbraw/zinc/65/31/74/598653174.db2.gz NPWFBDBZOYPJOY-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1cccc2c1N(C(=O)c1ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc1)CC2 ZINC000737409171 598653176 /nfs/dbraw/zinc/65/31/76/598653176.db2.gz NPWFBDBZOYPJOY-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1ccc2c(c1)N(C(=O)c1ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc1)CC2 ZINC000737376667 598657050 /nfs/dbraw/zinc/65/70/50/598657050.db2.gz KLQUTUUEDNILEU-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM Cc1ccc2c(c1)N(C(=O)c1ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc1)CC2 ZINC000737376667 598657052 /nfs/dbraw/zinc/65/70/52/598657052.db2.gz KLQUTUUEDNILEU-UHFFFAOYSA-N -1 3 398.426 3.565 20 0 GHADHM CSCc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737183321 598657799 /nfs/dbraw/zinc/65/77/99/598657799.db2.gz YDXDZQYFMGJIJS-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CSCc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737183321 598657801 /nfs/dbraw/zinc/65/78/01/598657801.db2.gz YDXDZQYFMGJIJS-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000736671181 598657846 /nfs/dbraw/zinc/65/78/46/598657846.db2.gz TVRVAIFAEQQIJZ-LLVKDONJSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000736671181 598657847 /nfs/dbraw/zinc/65/78/47/598657847.db2.gz TVRVAIFAEQQIJZ-LLVKDONJSA-N -1 3 385.493 3.940 20 0 GHADHM COc1ccc(C2(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)CCOCC2)cc1 ZINC000737076593 598657952 /nfs/dbraw/zinc/65/79/52/598657952.db2.gz JNMHDRLKFNVVQK-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM COc1ccc(C2(CNc3ccc(-c4nn[n-]n4)c(Cl)c3)CCOCC2)cc1 ZINC000737076593 598657953 /nfs/dbraw/zinc/65/79/53/598657953.db2.gz JNMHDRLKFNVVQK-UHFFFAOYSA-N -1 3 399.882 3.689 20 0 GHADHM CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736555379 598658631 /nfs/dbraw/zinc/65/86/31/598658631.db2.gz IKHZICRAWPJLPR-UHFFFAOYSA-N -1 3 399.458 3.541 20 0 GHADHM CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736555379 598658634 /nfs/dbraw/zinc/65/86/34/598658634.db2.gz IKHZICRAWPJLPR-UHFFFAOYSA-N -1 3 399.458 3.541 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735671575 598659670 /nfs/dbraw/zinc/65/96/70/598659670.db2.gz ZWYFPTINEPRVBF-UHFFFAOYSA-N -1 3 383.883 3.590 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735671575 598659672 /nfs/dbraw/zinc/65/96/72/598659672.db2.gz ZWYFPTINEPRVBF-UHFFFAOYSA-N -1 3 383.883 3.590 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@H](c1ccccc1)C(F)(F)F ZINC000736733220 598661481 /nfs/dbraw/zinc/66/14/81/598661481.db2.gz PVKHJRWTUNYLHK-WFTPILKQSA-N -1 3 387.365 3.642 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@H](c1ccccc1)C(F)(F)F ZINC000736733220 598661483 /nfs/dbraw/zinc/66/14/83/598661483.db2.gz PVKHJRWTUNYLHK-WFTPILKQSA-N -1 3 387.365 3.642 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737422233 598666457 /nfs/dbraw/zinc/66/64/57/598666457.db2.gz MMNIIXDFRQHSBC-SFHVURJKSA-N -1 3 379.489 3.631 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737422233 598666458 /nfs/dbraw/zinc/66/64/58/598666458.db2.gz MMNIIXDFRQHSBC-SFHVURJKSA-N -1 3 379.489 3.631 20 0 GHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735604243 598686046 /nfs/dbraw/zinc/68/60/46/598686046.db2.gz SKORSYDRUMYKAR-KRWDZBQOSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735604243 598686048 /nfs/dbraw/zinc/68/60/48/598686048.db2.gz SKORSYDRUMYKAR-KRWDZBQOSA-N -1 3 385.512 3.843 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737347395 598697903 /nfs/dbraw/zinc/69/79/03/598697903.db2.gz PHCSAPPXMIRYHW-NSHDSACASA-N -1 3 389.431 3.714 20 0 GHADHM Cc1ccc(F)cc1NC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737347395 598697905 /nfs/dbraw/zinc/69/79/05/598697905.db2.gz PHCSAPPXMIRYHW-NSHDSACASA-N -1 3 389.431 3.714 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1cc(Cl)ccc1F ZINC000737935314 598698533 /nfs/dbraw/zinc/69/85/33/598698533.db2.gz BASCPMHLYIAUBH-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1cc(Cl)ccc1F ZINC000737935314 598698534 /nfs/dbraw/zinc/69/85/34/598698534.db2.gz BASCPMHLYIAUBH-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM FC(F)(F)COc1cccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737625559 598698624 /nfs/dbraw/zinc/69/86/24/598698624.db2.gz BWYKIYAQZYAWDH-UHFFFAOYSA-N -1 3 394.353 3.656 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736180448 598709191 /nfs/dbraw/zinc/70/91/91/598709191.db2.gz IUFIKPGLFMYINV-CYBMUJFWSA-N -1 3 384.411 3.640 20 0 GHADHM CC(C)c1cccc(O[C@H](C)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736180448 598709193 /nfs/dbraw/zinc/70/91/93/598709193.db2.gz IUFIKPGLFMYINV-CYBMUJFWSA-N -1 3 384.411 3.640 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738232581 598711408 /nfs/dbraw/zinc/71/14/08/598711408.db2.gz SQSBUYSCVDLRBQ-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)[C@H](OC1CCCC1)c1ccccc1 ZINC000738232581 598711409 /nfs/dbraw/zinc/71/14/09/598711409.db2.gz SQSBUYSCVDLRBQ-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM Fc1ccc(-c2cc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)on2)cc1 ZINC000737648656 598723058 /nfs/dbraw/zinc/72/30/58/598723058.db2.gz BDHGUPOLTIWNLV-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM Fc1ccc(-c2cc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)on2)cc1 ZINC000737648656 598723060 /nfs/dbraw/zinc/72/30/60/598723060.db2.gz BDHGUPOLTIWNLV-UHFFFAOYSA-N -1 3 387.378 3.573 20 0 GHADHM Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737341474 598726619 /nfs/dbraw/zinc/72/66/19/598726619.db2.gz HYNLINVEVXELCQ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737341474 598726620 /nfs/dbraw/zinc/72/66/20/598726620.db2.gz HYNLINVEVXELCQ-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737062634 598730694 /nfs/dbraw/zinc/73/06/94/598730694.db2.gz LBBJHJFAJMOKQZ-CQSZACIVSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737062634 598730695 /nfs/dbraw/zinc/73/06/95/598730695.db2.gz LBBJHJFAJMOKQZ-CQSZACIVSA-N -1 3 398.854 3.550 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)O[C@@H]1CCc2ccccc21 ZINC000737840664 598735849 /nfs/dbraw/zinc/73/58/49/598735849.db2.gz BWXVVIPNHXGCET-LJQANCHMSA-N -1 3 378.432 3.647 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)O[C@@H]1CCc2ccccc21 ZINC000737840664 598735851 /nfs/dbraw/zinc/73/58/51/598735851.db2.gz BWXVVIPNHXGCET-LJQANCHMSA-N -1 3 378.432 3.647 20 0 GHADHM C[C@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735986804 598739310 /nfs/dbraw/zinc/73/93/10/598739310.db2.gz URTWEMTYWXWVFG-LKBMAGLMSA-N -1 3 392.459 3.809 20 0 GHADHM C[C@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735986804 598739312 /nfs/dbraw/zinc/73/93/12/598739312.db2.gz URTWEMTYWXWVFG-LKBMAGLMSA-N -1 3 392.459 3.809 20 0 GHADHM CCS[C@@H]1CCCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736668149 598741497 /nfs/dbraw/zinc/74/14/97/598741497.db2.gz XWJIGTGFWYPCBY-GFCCVEGCSA-N -1 3 396.973 3.825 20 0 GHADHM CCS[C@@H]1CCCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736668149 598741499 /nfs/dbraw/zinc/74/14/99/598741499.db2.gz XWJIGTGFWYPCBY-GFCCVEGCSA-N -1 3 396.973 3.825 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737509190 598745100 /nfs/dbraw/zinc/74/51/00/598745100.db2.gz MELNQFAKWMTDIP-UHFFFAOYSA-N -1 3 395.417 3.684 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737509190 598745102 /nfs/dbraw/zinc/74/51/02/598745102.db2.gz MELNQFAKWMTDIP-UHFFFAOYSA-N -1 3 395.417 3.684 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3C)c2)c1-c1nnn[n-]1 ZINC000736675742 598753393 /nfs/dbraw/zinc/75/33/93/598753393.db2.gz LPFOCCQHGOEMNI-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3C)c2)c1-c1nn[n-]n1 ZINC000736675742 598753394 /nfs/dbraw/zinc/75/33/94/598753394.db2.gz LPFOCCQHGOEMNI-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110248 598781206 /nfs/dbraw/zinc/78/12/06/598781206.db2.gz GSRYVVIQVRNYKE-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110248 598781208 /nfs/dbraw/zinc/78/12/08/598781208.db2.gz GSRYVVIQVRNYKE-CQSZACIVSA-N -1 3 382.443 3.687 20 0 GHADHM CCOc1c(OC)cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1OC ZINC000736628647 598794463 /nfs/dbraw/zinc/79/44/63/598794463.db2.gz SHKFNEFGCXBONG-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1c(OC)cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1OC ZINC000736628647 598794464 /nfs/dbraw/zinc/79/44/64/598794464.db2.gz SHKFNEFGCXBONG-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Br)ccc1Cl ZINC000736821962 598795102 /nfs/dbraw/zinc/79/51/02/598795102.db2.gz JFEBCGMEFPPBID-UHFFFAOYSA-N -1 3 392.688 3.915 20 0 GHADHM CCc1noc(-c2ccc(CCNc3ccc(Cl)cc3-c3nnn[n-]3)cc2)n1 ZINC000736710240 598795644 /nfs/dbraw/zinc/79/56/44/598795644.db2.gz GFDNNNYCKDEELM-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM CCc1noc(-c2ccc(CCNc3ccc(Cl)cc3-c3nn[n-]n3)cc2)n1 ZINC000736710240 598795646 /nfs/dbraw/zinc/79/56/46/598795646.db2.gz GFDNNNYCKDEELM-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM Cc1sc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000737563743 598803074 /nfs/dbraw/zinc/80/30/74/598803074.db2.gz SVNQSHVCEYTMCJ-MRVPVSSYSA-N -1 3 395.847 3.744 20 0 GHADHM Cc1sc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000737563743 598803075 /nfs/dbraw/zinc/80/30/75/598803075.db2.gz SVNQSHVCEYTMCJ-MRVPVSSYSA-N -1 3 395.847 3.744 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000737292505 598820443 /nfs/dbraw/zinc/82/04/43/598820443.db2.gz UJFWSZGOHIOEIB-UHFFFAOYSA-N -1 3 394.822 3.665 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000737292505 598820444 /nfs/dbraw/zinc/82/04/44/598820444.db2.gz UJFWSZGOHIOEIB-UHFFFAOYSA-N -1 3 394.822 3.665 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(c1ccccc1F)C1CCCC1 ZINC000736168592 599302880 /nfs/dbraw/zinc/30/28/80/599302880.db2.gz ITUAPKBLIQNLDD-AWEZNQCLSA-N -1 3 395.438 3.749 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000735496891 599306629 /nfs/dbraw/zinc/30/66/29/599306629.db2.gz LVVGSGDFFJMZRQ-UHFFFAOYSA-N -1 3 387.399 3.606 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000735496891 599306631 /nfs/dbraw/zinc/30/66/31/599306631.db2.gz LVVGSGDFFJMZRQ-UHFFFAOYSA-N -1 3 387.399 3.606 20 0 GHADHM CCN(C(=O)COc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504941 599309265 /nfs/dbraw/zinc/30/92/65/599309265.db2.gz JNRGFGCTTBYGRQ-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504941 599309268 /nfs/dbraw/zinc/30/92/68/599309268.db2.gz JNRGFGCTTBYGRQ-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)c1csc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509095 599312533 /nfs/dbraw/zinc/31/25/33/599312533.db2.gz SCDORWZNGGCZPO-UHFFFAOYSA-N -1 3 390.472 3.581 20 0 GHADHM CCN(C(=O)c1csc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509095 599312535 /nfs/dbraw/zinc/31/25/35/599312535.db2.gz SCDORWZNGGCZPO-UHFFFAOYSA-N -1 3 390.472 3.581 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000822486817 599316228 /nfs/dbraw/zinc/31/62/28/599316228.db2.gz SWTFTYDFFAXKTJ-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000822486817 599316230 /nfs/dbraw/zinc/31/62/30/599316230.db2.gz SWTFTYDFFAXKTJ-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820690517 599322495 /nfs/dbraw/zinc/32/24/95/599322495.db2.gz NESRPYCNJYKYJI-YOEHRIQHSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820690517 599322498 /nfs/dbraw/zinc/32/24/98/599322498.db2.gz NESRPYCNJYKYJI-YOEHRIQHSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140128 599323249 /nfs/dbraw/zinc/32/32/49/599323249.db2.gz YIBFMVWAGYMITJ-CRAIPNDOSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@@H](Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140128 599323251 /nfs/dbraw/zinc/32/32/51/599323251.db2.gz YIBFMVWAGYMITJ-CRAIPNDOSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188007 599327797 /nfs/dbraw/zinc/32/77/97/599327797.db2.gz GKLCIXKCTJIQOL-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188007 599327801 /nfs/dbraw/zinc/32/78/01/599327801.db2.gz GKLCIXKCTJIQOL-MNOVXSKESA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](SCCC(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189813 599328243 /nfs/dbraw/zinc/32/82/43/599328243.db2.gz RGPHEKKWLZZHQN-AWEZNQCLSA-N -1 3 379.489 3.640 20 0 GHADHM C[C@H](SCCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189813 599328246 /nfs/dbraw/zinc/32/82/46/599328246.db2.gz RGPHEKKWLZZHQN-AWEZNQCLSA-N -1 3 379.489 3.640 20 0 GHADHM CCOc1ccccc1NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736655961 599333155 /nfs/dbraw/zinc/33/31/55/599333155.db2.gz YYQVIZKSYDSTSH-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM CCOc1ccccc1NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736655961 599333158 /nfs/dbraw/zinc/33/31/58/599333158.db2.gz YYQVIZKSYDSTSH-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM O=C1CCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccccc2N1 ZINC000738304500 599356740 /nfs/dbraw/zinc/35/67/40/599356740.db2.gz MJXDRRBMEUNVHY-UHFFFAOYSA-N -1 3 396.454 3.883 20 0 GHADHM O=C1CCN(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccccc2N1 ZINC000738304500 599356743 /nfs/dbraw/zinc/35/67/43/599356743.db2.gz MJXDRRBMEUNVHY-UHFFFAOYSA-N -1 3 396.454 3.883 20 0 GHADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820727214 599359415 /nfs/dbraw/zinc/35/94/15/599359415.db2.gz IZPKYHOUFQQQSI-PWSUYJOCSA-N -1 3 378.358 3.851 20 0 GHADHM C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820727214 599359418 /nfs/dbraw/zinc/35/94/18/599359418.db2.gz IZPKYHOUFQQQSI-PWSUYJOCSA-N -1 3 378.358 3.851 20 0 GHADHM CC(C)(C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cccc(F)c1 ZINC000735582967 599369059 /nfs/dbraw/zinc/36/90/59/599369059.db2.gz PYYRGOPIIRCLLJ-UHFFFAOYSA-N -1 3 385.468 3.862 20 0 GHADHM CC(C)(C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cccc(F)c1 ZINC000735582967 599369061 /nfs/dbraw/zinc/36/90/61/599369061.db2.gz PYYRGOPIIRCLLJ-UHFFFAOYSA-N -1 3 385.468 3.862 20 0 GHADHM C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461625 599373074 /nfs/dbraw/zinc/37/30/74/599373074.db2.gz OBOATMLYHPVVGN-HNNXBMFYSA-N -1 3 376.464 3.552 20 0 GHADHM C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461625 599373075 /nfs/dbraw/zinc/37/30/75/599373075.db2.gz OBOATMLYHPVVGN-HNNXBMFYSA-N -1 3 376.464 3.552 20 0 GHADHM c1csc(-c2nc(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)co2)c1 ZINC000738447935 599400939 /nfs/dbraw/zinc/40/09/39/599400939.db2.gz LTWSCOGLRHDECB-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1csc(-c2nc(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)co2)c1 ZINC000738447935 599400941 /nfs/dbraw/zinc/40/09/41/599400941.db2.gz LTWSCOGLRHDECB-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)ccc1OCC(F)(F)F ZINC000821732864 607369258 /nfs/dbraw/zinc/36/92/58/607369258.db2.gz WBSCHHLMWIXDJD-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)ccc1OCC(F)(F)F ZINC000821732864 607369260 /nfs/dbraw/zinc/36/92/60/607369260.db2.gz WBSCHHLMWIXDJD-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348890 599405844 /nfs/dbraw/zinc/40/58/44/599405844.db2.gz GSBFDESOYXHYMV-ZJUUUORDSA-N -1 3 376.873 3.703 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348890 599405846 /nfs/dbraw/zinc/40/58/46/599405846.db2.gz GSBFDESOYXHYMV-ZJUUUORDSA-N -1 3 376.873 3.703 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000737570617 599406997 /nfs/dbraw/zinc/40/69/97/599406997.db2.gz IMMOSAMDAIZUQP-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000737570617 599406998 /nfs/dbraw/zinc/40/69/98/599406998.db2.gz IMMOSAMDAIZUQP-UHFFFAOYSA-N -1 3 378.219 3.557 20 0 GHADHM CCCn1ccc2ccc(NC(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821149549 599412358 /nfs/dbraw/zinc/41/23/58/599412358.db2.gz ZXDITAOVZLQQAH-AWEZNQCLSA-N -1 3 390.447 3.637 20 0 GHADHM c1ccc2c(c1)nc(NCc1ccc(OC3CCCC3)nc1)cc2-c1nnn[n-]1 ZINC000738432625 599412386 /nfs/dbraw/zinc/41/23/86/599412386.db2.gz ISPHFLVEQGGFOD-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1ccc2c(c1)nc(NCc1ccc(OC3CCCC3)nc1)cc2-c1nn[n-]n1 ZINC000738432625 599412387 /nfs/dbraw/zinc/41/23/87/599412387.db2.gz ISPHFLVEQGGFOD-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM CCCCc1noc([C@@H](C)SCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466040 599451645 /nfs/dbraw/zinc/45/16/45/599451645.db2.gz IESDBVHMPQCNHF-CYBMUJFWSA-N -1 3 388.497 3.856 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111473 599453056 /nfs/dbraw/zinc/45/30/56/599453056.db2.gz FVCZZYSLGDBUDW-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111473 599453057 /nfs/dbraw/zinc/45/30/57/599453057.db2.gz FVCZZYSLGDBUDW-CQSZACIVSA-N -1 3 394.454 3.656 20 0 GHADHM Cc1ccc(-c2nc(CNCc3cc(-c4nn[n-]n4)ccc3F)cs2)cc1 ZINC000822213967 599456885 /nfs/dbraw/zinc/45/68/85/599456885.db2.gz JIJPEFFCTLJDGB-UHFFFAOYSA-N -1 3 380.452 3.728 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738409022 599464866 /nfs/dbraw/zinc/46/48/66/599464866.db2.gz OEIKRBGPBOYIIX-QGZVFWFLSA-N -1 3 398.923 3.828 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000738409022 599464869 /nfs/dbraw/zinc/46/48/69/599464869.db2.gz OEIKRBGPBOYIIX-QGZVFWFLSA-N -1 3 398.923 3.828 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822345826 599466861 /nfs/dbraw/zinc/46/68/61/599466861.db2.gz SVCGKEKWAOXYRK-IBGZPJMESA-N -1 3 396.470 3.901 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822345826 599466863 /nfs/dbraw/zinc/46/68/63/599466863.db2.gz SVCGKEKWAOXYRK-IBGZPJMESA-N -1 3 396.470 3.901 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348117 599477930 /nfs/dbraw/zinc/47/79/30/599477930.db2.gz AAUNDXNFCQIHDN-ACJLOTCBSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348117 599477932 /nfs/dbraw/zinc/47/79/32/599477932.db2.gz AAUNDXNFCQIHDN-ACJLOTCBSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351220 599478003 /nfs/dbraw/zinc/47/80/03/599478003.db2.gz NAHIIZBLYCQTKF-FUHWJXTLSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351220 599478005 /nfs/dbraw/zinc/47/80/05/599478005.db2.gz NAHIIZBLYCQTKF-FUHWJXTLSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356933 599478977 /nfs/dbraw/zinc/47/89/77/599478977.db2.gz CQXYBKCUVCGBNN-AWEZNQCLSA-N -1 3 394.504 3.552 20 0 GHADHM C[C@H](NC(=O)NCC1(Sc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356933 599478980 /nfs/dbraw/zinc/47/89/80/599478980.db2.gz CQXYBKCUVCGBNN-AWEZNQCLSA-N -1 3 394.504 3.552 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820920203 599484028 /nfs/dbraw/zinc/48/40/28/599484028.db2.gz MXHGICBQXFNMIV-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820920203 599484030 /nfs/dbraw/zinc/48/40/30/599484030.db2.gz MXHGICBQXFNMIV-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821230389 599484197 /nfs/dbraw/zinc/48/41/97/599484197.db2.gz JNCSNLVZAXYYMB-ZDUSSCGKSA-N -1 3 384.871 3.813 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821230389 599484200 /nfs/dbraw/zinc/48/42/00/599484200.db2.gz JNCSNLVZAXYYMB-ZDUSSCGKSA-N -1 3 384.871 3.813 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348342 599486011 /nfs/dbraw/zinc/48/60/11/599486011.db2.gz BNMPOLGFUCYUQV-OXJNMPFZSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348342 599486012 /nfs/dbraw/zinc/48/60/12/599486012.db2.gz BNMPOLGFUCYUQV-OXJNMPFZSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397369 599500093 /nfs/dbraw/zinc/50/00/93/599500093.db2.gz ORLIRIJTTGPFMH-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397369 599500096 /nfs/dbraw/zinc/50/00/96/599500096.db2.gz ORLIRIJTTGPFMH-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737180069 599504138 /nfs/dbraw/zinc/50/41/38/599504138.db2.gz AWTRHGZGSKFWNV-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737180069 599504141 /nfs/dbraw/zinc/50/41/41/599504141.db2.gz AWTRHGZGSKFWNV-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820402684 599509785 /nfs/dbraw/zinc/50/97/85/599509785.db2.gz FFVQUDXGHAAAGD-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820402684 599509786 /nfs/dbraw/zinc/50/97/86/599509786.db2.gz FFVQUDXGHAAAGD-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329368 599511593 /nfs/dbraw/zinc/51/15/93/599511593.db2.gz WJLLGFCBUGYTAS-NSHDSACASA-N -1 3 390.274 3.984 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329368 599511594 /nfs/dbraw/zinc/51/15/94/599511594.db2.gz WJLLGFCBUGYTAS-NSHDSACASA-N -1 3 390.274 3.984 20 0 GHADHM Cc1nc([C@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)sc1C ZINC000822437174 599511873 /nfs/dbraw/zinc/51/18/73/599511873.db2.gz XPLQNLWBKDYRCM-AWEZNQCLSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)sc1C ZINC000822437174 599511875 /nfs/dbraw/zinc/51/18/75/599511875.db2.gz XPLQNLWBKDYRCM-AWEZNQCLSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424170 599520437 /nfs/dbraw/zinc/52/04/37/599520437.db2.gz SNTWQSBBJKLJST-JTQLQIEISA-N -1 3 396.501 3.851 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424170 599520439 /nfs/dbraw/zinc/52/04/39/599520439.db2.gz SNTWQSBBJKLJST-JTQLQIEISA-N -1 3 396.501 3.851 20 0 GHADHM C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329254 599520987 /nfs/dbraw/zinc/52/09/87/599520987.db2.gz UGWINVNTFQVOJB-GFCCVEGCSA-N -1 3 387.896 3.880 20 0 GHADHM C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329254 599520990 /nfs/dbraw/zinc/52/09/90/599520990.db2.gz UGWINVNTFQVOJB-GFCCVEGCSA-N -1 3 387.896 3.880 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000737625578 599521049 /nfs/dbraw/zinc/52/10/49/599521049.db2.gz CFJBMZVSQVKMAV-ZDUSSCGKSA-N -1 3 388.397 3.824 20 0 GHADHM c1cc2nccc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)c2s1 ZINC000823751967 599527677 /nfs/dbraw/zinc/52/76/77/599527677.db2.gz UOHMPBJEQWKVHC-UHFFFAOYSA-N -1 3 378.461 3.524 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000155285127 599538298 /nfs/dbraw/zinc/53/82/98/599538298.db2.gz BNTIFDWKSRMQAH-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000155285127 599538301 /nfs/dbraw/zinc/53/83/01/599538301.db2.gz BNTIFDWKSRMQAH-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM CC1CCC(OC2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)CC1 ZINC000820690621 599543711 /nfs/dbraw/zinc/54/37/11/599543711.db2.gz PAVQOBNTKNXOPO-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM CC1CCC(OC2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)CC1 ZINC000820690621 599543713 /nfs/dbraw/zinc/54/37/13/599543713.db2.gz PAVQOBNTKNXOPO-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(F)cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821400462 599544671 /nfs/dbraw/zinc/54/46/71/599544671.db2.gz JXLVNELOSZDJEX-KQYVJACZSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(F)cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821400462 599544673 /nfs/dbraw/zinc/54/46/73/599544673.db2.gz JXLVNELOSZDJEX-KQYVJACZSA-N -1 3 395.438 3.696 20 0 GHADHM C[C@H](NC(=O)CCOc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820326898 599556908 /nfs/dbraw/zinc/55/69/08/599556908.db2.gz CCRBWDYHHOWUPO-HNNXBMFYSA-N -1 3 387.443 3.666 20 0 GHADHM C[C@H](NC(=O)CCOc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820326898 599556910 /nfs/dbraw/zinc/55/69/10/599556910.db2.gz CCRBWDYHHOWUPO-HNNXBMFYSA-N -1 3 387.443 3.666 20 0 GHADHM C[C@H]1c2cccn2CCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736306968 599561880 /nfs/dbraw/zinc/56/18/80/599561880.db2.gz ZKQXOIYFOTZPMS-HNNXBMFYSA-N -1 3 399.458 3.629 20 0 GHADHM FC(F)(F)c1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000822728687 607384099 /nfs/dbraw/zinc/38/40/99/607384099.db2.gz JFOJYUBHDCDUIA-LLVKDONJSA-N -1 3 380.399 3.726 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@@H](C)c1ccc(F)cc1 ZINC000821230175 599567124 /nfs/dbraw/zinc/56/71/24/599567124.db2.gz DTYKXVAWKAMVGI-ZDUSSCGKSA-N -1 3 393.426 3.639 20 0 GHADHM Cc1ccc(CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C(C)C)s1 ZINC000822237440 599568729 /nfs/dbraw/zinc/56/87/29/599568729.db2.gz UATUDZLGRMMZRS-UHFFFAOYSA-N -1 3 395.492 3.697 20 0 GHADHM Cc1ccc(CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C(C)C)s1 ZINC000822237440 599568731 /nfs/dbraw/zinc/56/87/31/599568731.db2.gz UATUDZLGRMMZRS-UHFFFAOYSA-N -1 3 395.492 3.697 20 0 GHADHM Cc1noc(C)c1COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737537338 599608196 /nfs/dbraw/zinc/60/81/96/599608196.db2.gz NSAIPHQUWTXUSL-UHFFFAOYSA-N -1 3 390.403 3.572 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000736638038 599610125 /nfs/dbraw/zinc/61/01/25/599610125.db2.gz WWZKVPGHAOZAJR-LBPRGKRZSA-N -1 3 396.426 3.556 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000736638038 599610126 /nfs/dbraw/zinc/61/01/26/599610126.db2.gz WWZKVPGHAOZAJR-LBPRGKRZSA-N -1 3 396.426 3.556 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737329278 599611912 /nfs/dbraw/zinc/61/19/12/599611912.db2.gz ITTWLADHUFAOKN-OXJNMPFZSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737329278 599611915 /nfs/dbraw/zinc/61/19/15/599611915.db2.gz ITTWLADHUFAOKN-OXJNMPFZSA-N -1 3 390.491 3.858 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ncoc1-c1ccccc1Cl ZINC000823430871 599620958 /nfs/dbraw/zinc/62/09/58/599620958.db2.gz KWAORCUHZVNUBZ-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ncoc1-c1ccccc1Cl ZINC000823430871 599620959 /nfs/dbraw/zinc/62/09/59/599620959.db2.gz KWAORCUHZVNUBZ-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512648 599621346 /nfs/dbraw/zinc/62/13/46/599621346.db2.gz MONCCMMWVBDAAH-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1cccc(-c2cscn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512648 599621347 /nfs/dbraw/zinc/62/13/47/599621347.db2.gz MONCCMMWVBDAAH-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM Cc1nc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)sc1C ZINC000822444117 599626050 /nfs/dbraw/zinc/62/60/50/599626050.db2.gz BTJJNDFCSYQCDJ-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1nc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)sc1C ZINC000822444117 599626051 /nfs/dbraw/zinc/62/60/51/599626051.db2.gz BTJJNDFCSYQCDJ-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361416 599626203 /nfs/dbraw/zinc/62/62/03/599626203.db2.gz USHYRZHGQDCXML-KNJKRIMISA-N -1 3 382.464 3.551 20 0 GHADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361416 599626204 /nfs/dbraw/zinc/62/62/04/599626204.db2.gz USHYRZHGQDCXML-KNJKRIMISA-N -1 3 382.464 3.551 20 0 GHADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361423 599626276 /nfs/dbraw/zinc/62/62/76/599626276.db2.gz USHYRZHGQDCXML-NDZBKKTDSA-N -1 3 382.464 3.551 20 0 GHADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361423 599626277 /nfs/dbraw/zinc/62/62/77/599626277.db2.gz USHYRZHGQDCXML-NDZBKKTDSA-N -1 3 382.464 3.551 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820690233 599630070 /nfs/dbraw/zinc/63/00/70/599630070.db2.gz HUIQXZDXWXXSNR-JSGCOSHPSA-N -1 3 383.477 3.881 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820690233 599630071 /nfs/dbraw/zinc/63/00/71/599630071.db2.gz HUIQXZDXWXXSNR-JSGCOSHPSA-N -1 3 383.477 3.881 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)O1 ZINC000820686079 599630090 /nfs/dbraw/zinc/63/00/90/599630090.db2.gz WYTBWDZXWVCDJH-FUHWJXTLSA-N -1 3 391.475 3.748 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)O1 ZINC000820686079 599630091 /nfs/dbraw/zinc/63/00/91/599630091.db2.gz WYTBWDZXWVCDJH-FUHWJXTLSA-N -1 3 391.475 3.748 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2SCCc3sccc32)s1 ZINC000821465381 599630402 /nfs/dbraw/zinc/63/04/02/599630402.db2.gz FXPMKGUHYDLYAT-GFCCVEGCSA-N -1 3 377.520 3.521 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2SCCc3sccc32)s1 ZINC000821465381 599630403 /nfs/dbraw/zinc/63/04/03/599630403.db2.gz FXPMKGUHYDLYAT-GFCCVEGCSA-N -1 3 377.520 3.521 20 0 GHADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000820925110 599635622 /nfs/dbraw/zinc/63/56/22/599635622.db2.gz DMUYUHLILCVYMI-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM CC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000820925110 599635623 /nfs/dbraw/zinc/63/56/23/599635623.db2.gz DMUYUHLILCVYMI-MRXNPFEDSA-N -1 3 395.854 3.811 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(Cl)ccc1Cl ZINC000820533253 599650345 /nfs/dbraw/zinc/65/03/45/599650345.db2.gz CRQHZUJZLVAXEJ-SNVBAGLBSA-N -1 3 393.230 3.684 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OCCC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821644930 599664723 /nfs/dbraw/zinc/66/47/23/599664723.db2.gz MSHMDMQQXNWCBI-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OCCC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821644930 599664724 /nfs/dbraw/zinc/66/47/24/599664724.db2.gz MSHMDMQQXNWCBI-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357776 599666643 /nfs/dbraw/zinc/66/66/43/599666643.db2.gz JUDGAWMFALNBER-LIRRHRJNSA-N -1 3 388.431 3.610 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357776 599666644 /nfs/dbraw/zinc/66/66/44/599666644.db2.gz JUDGAWMFALNBER-LIRRHRJNSA-N -1 3 388.431 3.610 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233063 599668309 /nfs/dbraw/zinc/66/83/09/599668309.db2.gz HLPBZNCAFZNZTG-UXHICEINSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233063 599668310 /nfs/dbraw/zinc/66/83/10/599668310.db2.gz HLPBZNCAFZNZTG-UXHICEINSA-N -1 3 390.491 3.653 20 0 GHADHM CCCCC[C@@H](C)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821050974 599668384 /nfs/dbraw/zinc/66/83/84/599668384.db2.gz WEFALZFUFYIKQS-GFCCVEGCSA-N -1 3 393.875 3.608 20 0 GHADHM CCCCC[C@@H](C)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821050974 599668385 /nfs/dbraw/zinc/66/83/85/599668385.db2.gz WEFALZFUFYIKQS-GFCCVEGCSA-N -1 3 393.875 3.608 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822299329 599675251 /nfs/dbraw/zinc/67/52/51/599675251.db2.gz FVLSNHLHFWZOOC-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822299329 599675252 /nfs/dbraw/zinc/67/52/52/599675252.db2.gz FVLSNHLHFWZOOC-IBGZPJMESA-N -1 3 394.454 3.669 20 0 GHADHM CCN(Cc1nc([C@@H](C)OCC(C)C)no1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230772 599683860 /nfs/dbraw/zinc/68/38/60/599683860.db2.gz QUNWLMOAKXXLQK-LSDHHAIUSA-N -1 3 399.499 3.566 20 0 GHADHM CCN(Cc1nc([C@@H](C)OCC(C)C)no1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230772 599683861 /nfs/dbraw/zinc/68/38/61/599683861.db2.gz QUNWLMOAKXXLQK-LSDHHAIUSA-N -1 3 399.499 3.566 20 0 GHADHM CCC(CC)(CCO)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000820887960 599688237 /nfs/dbraw/zinc/68/82/37/599688237.db2.gz ZEHWWXKDQOZSOR-UHFFFAOYSA-N -1 3 393.495 3.577 20 0 GHADHM CCC(CC)(CCO)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000820887960 599688238 /nfs/dbraw/zinc/68/82/38/599688238.db2.gz ZEHWWXKDQOZSOR-UHFFFAOYSA-N -1 3 393.495 3.577 20 0 GHADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000820925537 599688349 /nfs/dbraw/zinc/68/83/49/599688349.db2.gz JLJUSJNRVHUBCJ-MRVPVSSYSA-N -1 3 389.794 3.954 20 0 GHADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000820925537 599688350 /nfs/dbraw/zinc/68/83/50/599688350.db2.gz JLJUSJNRVHUBCJ-MRVPVSSYSA-N -1 3 389.794 3.954 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000738624064 599772097 /nfs/dbraw/zinc/77/20/97/599772097.db2.gz CITQCIFUMWOJKN-HOTGVXAUSA-N -1 3 385.464 3.881 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000822399249 607394028 /nfs/dbraw/zinc/39/40/28/607394028.db2.gz DBRLWXBUEGRDRD-HJWRWDBZSA-N -1 3 394.504 3.943 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000822399249 607394029 /nfs/dbraw/zinc/39/40/29/607394029.db2.gz DBRLWXBUEGRDRD-HJWRWDBZSA-N -1 3 394.504 3.943 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000820169652 607400264 /nfs/dbraw/zinc/40/02/64/607400264.db2.gz MHJQIHKSBBDAJQ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000820169652 607400265 /nfs/dbraw/zinc/40/02/65/607400265.db2.gz MHJQIHKSBBDAJQ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820161578 607400321 /nfs/dbraw/zinc/40/03/21/607400321.db2.gz XDVLFGBFFVSCKZ-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820161578 607400322 /nfs/dbraw/zinc/40/03/22/607400322.db2.gz XDVLFGBFFVSCKZ-UONOGXRCSA-N -1 3 399.401 3.674 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000826250971 607402479 /nfs/dbraw/zinc/40/24/79/607402479.db2.gz BAUHNCCYHAAAPS-NSHDSACASA-N -1 3 396.838 3.633 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000826250971 607402481 /nfs/dbraw/zinc/40/24/81/607402481.db2.gz BAUHNCCYHAAAPS-NSHDSACASA-N -1 3 396.838 3.633 20 0 GHADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000518386806 599866584 /nfs/dbraw/zinc/86/65/84/599866584.db2.gz QWFXKYAFIYAPHO-PGRDOPGGSA-N -1 3 394.471 3.833 20 0 GHADHM Cc1nc(C)n([C@H]2CCCN(Cc3c(C(=O)[O-])sc4cccc(F)c43)C2)n1 ZINC000738350254 599976448 /nfs/dbraw/zinc/97/64/48/599976448.db2.gz SSHFNPMHMRJMSR-ZDUSSCGKSA-N -1 3 388.468 3.784 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1Oc1ccccn1 ZINC000826254296 607410185 /nfs/dbraw/zinc/41/01/85/607410185.db2.gz DVTNLBGXJZSFKO-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1Oc1ccccn1 ZINC000826254296 607410187 /nfs/dbraw/zinc/41/01/87/607410187.db2.gz DVTNLBGXJZSFKO-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1-c1nnn[n-]1 ZINC000820166226 607424199 /nfs/dbraw/zinc/42/41/99/607424199.db2.gz UOFFXSJJZNXHKH-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1-c1nn[n-]n1 ZINC000820166226 607424200 /nfs/dbraw/zinc/42/42/00/607424200.db2.gz UOFFXSJJZNXHKH-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1cccc(-c3nnn[n-]3)c1C)C2 ZINC000821134049 607424668 /nfs/dbraw/zinc/42/46/68/607424668.db2.gz LWDBGFBXYBGOGP-UHFFFAOYSA-N -1 3 392.463 3.554 20 0 GHADHM CCCOc1ccc2c(c1)CCN(C(=O)Nc1cccc(-c3nn[n-]n3)c1C)C2 ZINC000821134049 607424669 /nfs/dbraw/zinc/42/46/69/607424669.db2.gz LWDBGFBXYBGOGP-UHFFFAOYSA-N -1 3 392.463 3.554 20 0 GHADHM O=C(NCC1(Cc2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823171444 607425195 /nfs/dbraw/zinc/42/51/95/607425195.db2.gz VMLXAOZMBOUZBW-UHFFFAOYSA-N -1 3 382.855 3.665 20 0 GHADHM O=C(NCC1(Cc2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823171444 607425197 /nfs/dbraw/zinc/42/51/97/607425197.db2.gz VMLXAOZMBOUZBW-UHFFFAOYSA-N -1 3 382.855 3.665 20 0 GHADHM O=C([O-])c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)s1 ZINC000740105399 600170816 /nfs/dbraw/zinc/17/08/16/600170816.db2.gz PLWAYPIBEVMZFO-UHFFFAOYSA-N -1 3 392.908 3.838 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000823944181 607432689 /nfs/dbraw/zinc/43/26/89/607432689.db2.gz ZNXWDRIUEGROBN-QXMHVHEDSA-N -1 3 385.374 3.534 20 0 GHADHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000823944181 607432691 /nfs/dbraw/zinc/43/26/91/607432691.db2.gz ZNXWDRIUEGROBN-QXMHVHEDSA-N -1 3 385.374 3.534 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826295592 607434368 /nfs/dbraw/zinc/43/43/68/607434368.db2.gz OKUBECATRSVRPU-UHFFFAOYSA-N -1 3 384.443 3.877 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826295592 607434370 /nfs/dbraw/zinc/43/43/70/607434370.db2.gz OKUBECATRSVRPU-UHFFFAOYSA-N -1 3 384.443 3.877 20 0 GHADHM O=C([O-])c1cc(Cl)cc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000739404416 600284145 /nfs/dbraw/zinc/28/41/45/600284145.db2.gz NGLNLLDRPSIPPO-UHFFFAOYSA-N -1 3 397.928 3.521 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812810 607442011 /nfs/dbraw/zinc/44/20/11/607442011.db2.gz UYKHUEDLPPVDEQ-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812810 607442012 /nfs/dbraw/zinc/44/20/12/607442012.db2.gz UYKHUEDLPPVDEQ-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2ccccc2c(Cl)n1 ZINC000826253777 607444907 /nfs/dbraw/zinc/44/49/07/607444907.db2.gz DCRHXGWENUTIFW-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2ccccc2c(Cl)n1 ZINC000826253777 607444908 /nfs/dbraw/zinc/44/49/08/607444908.db2.gz DCRHXGWENUTIFW-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000736715313 600480996 /nfs/dbraw/zinc/48/09/96/600480996.db2.gz DBCCOEHFXHDNGV-WMZOPIPTSA-N -1 3 398.528 3.646 20 0 GHADHM CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1ccccc1C(=O)[O-] ZINC000737058840 600531741 /nfs/dbraw/zinc/53/17/41/600531741.db2.gz BGCIGWVXHCZJIE-UHFFFAOYSA-N -1 3 395.503 3.582 20 0 GHADHM O=C([O-])Nc1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000740040615 600576881 /nfs/dbraw/zinc/57/68/81/600576881.db2.gz JSKVKIGJJRXQIO-UHFFFAOYSA-N -1 3 381.476 3.557 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000832914175 600694244 /nfs/dbraw/zinc/69/42/44/600694244.db2.gz BXEYMVAMEQHVQR-HZPDHXFCSA-N -1 3 392.459 3.557 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736815303 600746532 /nfs/dbraw/zinc/74/65/32/600746532.db2.gz RKBSHTRTZYFUNF-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826451474 607465969 /nfs/dbraw/zinc/46/59/69/607465969.db2.gz IJRLSMCLCHZRJR-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826451474 607465970 /nfs/dbraw/zinc/46/59/70/607465970.db2.gz IJRLSMCLCHZRJR-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2ccncc2)c1-c1nnn[n-]1 ZINC000822015188 607466363 /nfs/dbraw/zinc/46/63/63/607466363.db2.gz FNCGSWHONSGJHX-UHFFFAOYSA-N -1 3 397.508 3.526 20 0 GHADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2ccncc2)c1-c1nn[n-]n1 ZINC000822015188 607466365 /nfs/dbraw/zinc/46/63/65/607466365.db2.gz FNCGSWHONSGJHX-UHFFFAOYSA-N -1 3 397.508 3.526 20 0 GHADHM Cc1ccnc(NC[C@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)c1 ZINC000832984690 600827731 /nfs/dbraw/zinc/82/77/31/600827731.db2.gz XTMVEOJTBTXZLR-OAHLLOKOSA-N -1 3 389.883 3.554 20 0 GHADHM COc1ccc(CN(Cc2ccco2)Cc2cccs2)cc1-c1nnn[n-]1 ZINC000826193899 607480966 /nfs/dbraw/zinc/48/09/66/607480966.db2.gz UHLBKOHOJRZEIL-UHFFFAOYSA-N -1 3 381.461 3.732 20 0 GHADHM COc1ccc(CN(Cc2ccco2)Cc2cccs2)cc1-c1nn[n-]n1 ZINC000826193899 607480967 /nfs/dbraw/zinc/48/09/67/607480967.db2.gz UHLBKOHOJRZEIL-UHFFFAOYSA-N -1 3 381.461 3.732 20 0 GHADHM COc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826194597 607482538 /nfs/dbraw/zinc/48/25/38/607482538.db2.gz QIAXAALRJPMDFB-MRXNPFEDSA-N -1 3 392.488 3.822 20 0 GHADHM CCCCN1Cc2cccc(N[C@H]3CCN(c4sccc4C(=O)[O-])C3=O)c2C1 ZINC000829394991 601053193 /nfs/dbraw/zinc/05/31/93/601053193.db2.gz CYZCDLWDIFCDHA-SFHVURJKSA-N -1 3 399.516 3.779 20 0 GHADHM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830499730 601130975 /nfs/dbraw/zinc/13/09/75/601130975.db2.gz BGLNRLIXVMCDOF-KRWDZBQOSA-N -1 3 385.439 3.652 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000826055265 601203170 /nfs/dbraw/zinc/20/31/70/601203170.db2.gz XQJBLFMYZANIES-SJKOYZFVSA-N -1 3 380.366 3.696 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000573689569 601415511 /nfs/dbraw/zinc/41/55/11/601415511.db2.gz PEGDJKKQZIPKJA-UHFFFAOYSA-N -1 3 380.448 3.705 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000830362519 601417851 /nfs/dbraw/zinc/41/78/51/601417851.db2.gz BDOHAKINIMXZKF-GOSISDBHSA-N -1 3 376.497 3.543 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000826054351 601653260 /nfs/dbraw/zinc/65/32/60/601653260.db2.gz MQUNFUMCOFOPAO-HRAATJIYSA-N -1 3 392.455 3.761 20 0 GHADHM O=C([O-])c1sccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000833347370 601808123 /nfs/dbraw/zinc/80/81/23/601808123.db2.gz APCPIXCPJYPNOA-UHFFFAOYSA-N -1 3 394.880 3.656 20 0 GHADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219408 601844914 /nfs/dbraw/zinc/84/49/14/601844914.db2.gz WHRWWAYRRQGPGJ-GOSISDBHSA-N -1 3 394.515 3.858 20 0 GHADHM C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000662219409 601844998 /nfs/dbraw/zinc/84/49/98/601844998.db2.gz WHRWWAYRRQGPGJ-SFHVURJKSA-N -1 3 394.515 3.858 20 0 GHADHM CN(CCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000830785376 601987408 /nfs/dbraw/zinc/98/74/08/601987408.db2.gz QIHVKZDCHGXGRW-UHFFFAOYSA-N -1 3 395.381 3.657 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828176872 602037206 /nfs/dbraw/zinc/03/72/06/602037206.db2.gz LYIXGPYLVASISJ-CZUORRHYSA-N -1 3 386.427 3.700 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000832048982 602163609 /nfs/dbraw/zinc/16/36/09/602163609.db2.gz BVBHKWZHQDMJRV-DIFFPNOSSA-N -1 3 394.265 3.943 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])c1 ZINC000832056482 602176118 /nfs/dbraw/zinc/17/61/18/602176118.db2.gz DHZPOQFPVLIPIQ-OAQYLSRUSA-N -1 3 378.428 3.681 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828465865 602374499 /nfs/dbraw/zinc/37/44/99/602374499.db2.gz YLTXJUWPMLXIBR-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825782846 607565567 /nfs/dbraw/zinc/56/55/67/607565567.db2.gz RMNFFWPPMGRTIH-QGZVFWFLSA-N -1 3 379.468 3.504 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825782846 607565569 /nfs/dbraw/zinc/56/55/69/607565569.db2.gz RMNFFWPPMGRTIH-QGZVFWFLSA-N -1 3 379.468 3.504 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825158913 607573315 /nfs/dbraw/zinc/57/33/15/607573315.db2.gz DQCJZXNHTBFHPF-GOSISDBHSA-N -1 3 394.479 3.558 20 0 GHADHM CC[C@H](c1ccccc1)N(CC)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825158913 607573317 /nfs/dbraw/zinc/57/33/17/607573317.db2.gz DQCJZXNHTBFHPF-GOSISDBHSA-N -1 3 394.479 3.558 20 0 GHADHM O=C([O-])N1CCCc2cc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000740466468 602607344 /nfs/dbraw/zinc/60/73/44/602607344.db2.gz XQYSRGCIDZWIHR-IBGZPJMESA-N -1 3 394.475 3.513 20 0 GHADHM COc1ccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1NC(=O)[O-] ZINC000739921064 602821015 /nfs/dbraw/zinc/82/10/15/602821015.db2.gz SWSZAFKQFLZWKR-UHFFFAOYSA-N -1 3 390.484 3.513 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)N(C)C)cc1 ZINC000830262079 603375527 /nfs/dbraw/zinc/37/55/27/603375527.db2.gz HRXDRBWUSLCIIF-BEFAXECRSA-N -1 3 384.480 3.748 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000827975446 603734301 /nfs/dbraw/zinc/73/43/01/603734301.db2.gz LJMOQDKYBOJCHU-AEFFLSMTSA-N -1 3 391.537 3.815 20 0 GHADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000827975868 603734383 /nfs/dbraw/zinc/73/43/83/603734383.db2.gz PUFJHZCVOLYDNF-FUHWJXTLSA-N -1 3 391.537 3.815 20 0 GHADHM CSc1nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2s1 ZINC000826231594 607648579 /nfs/dbraw/zinc/64/85/79/607648579.db2.gz QUEHDMNCRPFHTR-UHFFFAOYSA-N -1 3 382.474 3.759 20 0 GHADHM CSc1nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2s1 ZINC000826231594 607648580 /nfs/dbraw/zinc/64/85/80/607648580.db2.gz QUEHDMNCRPFHTR-UHFFFAOYSA-N -1 3 382.474 3.759 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000826246951 607649591 /nfs/dbraw/zinc/64/95/91/607649591.db2.gz PVGOMMZVWLWLBE-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000826246951 607649592 /nfs/dbraw/zinc/64/95/92/607649592.db2.gz PVGOMMZVWLWLBE-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000826250435 607650459 /nfs/dbraw/zinc/65/04/59/607650459.db2.gz AVKDECFMACXLBR-UHFFFAOYSA-N -1 3 383.502 3.906 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000826250435 607650461 /nfs/dbraw/zinc/65/04/61/607650461.db2.gz AVKDECFMACXLBR-UHFFFAOYSA-N -1 3 383.502 3.906 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2cc(Br)cs2)no1 ZINC000826243466 607658333 /nfs/dbraw/zinc/65/83/33/607658333.db2.gz JQWBRZUUQXLKAG-UHFFFAOYSA-N -1 3 389.238 3.716 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2cc(Br)cs2)no1 ZINC000826243466 607658335 /nfs/dbraw/zinc/65/83/35/607658335.db2.gz JQWBRZUUQXLKAG-UHFFFAOYSA-N -1 3 389.238 3.716 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000826250184 607665493 /nfs/dbraw/zinc/66/54/93/607665493.db2.gz OJJHKYXOVBOTQI-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000826250184 607665495 /nfs/dbraw/zinc/66/54/95/607665495.db2.gz OJJHKYXOVBOTQI-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000826250487 607681141 /nfs/dbraw/zinc/68/11/41/607681141.db2.gz CYELOWJCKAZNSC-IBGZPJMESA-N -1 3 399.458 3.550 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000826250487 607681143 /nfs/dbraw/zinc/68/11/43/607681143.db2.gz CYELOWJCKAZNSC-IBGZPJMESA-N -1 3 399.458 3.550 20 0 GHADHM C[C@@H](Oc1ccc(CN(C)Cc2cccc(Br)c2)cc1)C(=O)[O-] ZINC000833538297 604532157 /nfs/dbraw/zinc/53/21/57/604532157.db2.gz SUCVTHZUZCKLNB-CYBMUJFWSA-N -1 3 378.266 3.933 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826244852 607708910 /nfs/dbraw/zinc/70/89/10/607708910.db2.gz FLUKSNSGXVECLZ-QGZVFWFLSA-N -1 3 388.431 3.684 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826244852 607708912 /nfs/dbraw/zinc/70/89/12/607708912.db2.gz FLUKSNSGXVECLZ-QGZVFWFLSA-N -1 3 388.431 3.684 20 0 GHADHM COc1cc(N[C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)cc(OC)c1 ZINC000832027011 604799231 /nfs/dbraw/zinc/79/92/31/604799231.db2.gz TVOZFGCCKLVKQZ-OAHLLOKOSA-N -1 3 388.439 3.618 20 0 GHADHM C[C@]1(NCc2nc(-c3cccc(Br)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833568675 604815343 /nfs/dbraw/zinc/81/53/43/604815343.db2.gz HETIHMROUTTZAG-DYVFJYSZSA-N -1 3 394.269 3.622 20 0 GHADHM O=C([O-])COc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1Cl ZINC000833258534 604942888 /nfs/dbraw/zinc/94/28/88/604942888.db2.gz RHBJLJCNDCKGJJ-UHFFFAOYSA-N -1 3 388.851 3.652 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833546932 604943751 /nfs/dbraw/zinc/94/37/51/604943751.db2.gz MVMCGXVVLPSJGR-WBVHZDCISA-N -1 3 386.492 3.775 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410637 604950034 /nfs/dbraw/zinc/95/00/34/604950034.db2.gz ZLJADGCDHDLPIA-OLZOCXBDSA-N -1 3 386.414 3.855 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826454482 607725782 /nfs/dbraw/zinc/72/57/82/607725782.db2.gz YHACJWAQARDLPB-UHFFFAOYSA-N -1 3 382.786 3.907 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826454482 607725784 /nfs/dbraw/zinc/72/57/84/607725784.db2.gz YHACJWAQARDLPB-UHFFFAOYSA-N -1 3 382.786 3.907 20 0 GHADHM CC(=O)N1CCCCC[C@@H]1C1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000833394393 605041623 /nfs/dbraw/zinc/04/16/23/605041623.db2.gz XDGZMXHXRFDFNC-MAUKXSAKSA-N -1 3 376.497 3.850 20 0 GHADHM CC(C)CC[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000833479712 605083029 /nfs/dbraw/zinc/08/30/29/605083029.db2.gz AQLNCEHDBZMKSP-SFHVURJKSA-N -1 3 380.916 3.730 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833634603 605296684 /nfs/dbraw/zinc/29/66/84/605296684.db2.gz NPFDSFBWHSUWBC-QGZVFWFLSA-N -1 3 380.488 3.566 20 0 GHADHM Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)ccc1NC(=O)[O-] ZINC000829930000 605323552 /nfs/dbraw/zinc/32/35/52/605323552.db2.gz GNRSKAISKNZZPP-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM COc1cccc2[nH]cc(CCN[C@@H](C(=O)[O-])c3c(F)cccc3Cl)c21 ZINC000833736023 605362383 /nfs/dbraw/zinc/36/23/83/605362383.db2.gz SLPXPYJLCSFUPJ-GOSISDBHSA-N -1 3 376.815 3.927 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000825538698 607757826 /nfs/dbraw/zinc/75/78/26/607757826.db2.gz IZDKWAXKANPFSJ-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000825538698 607757827 /nfs/dbraw/zinc/75/78/27/607757827.db2.gz IZDKWAXKANPFSJ-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)CCCC2CCCC2)cc1-c1nnn[n-]1 ZINC000825532217 607761032 /nfs/dbraw/zinc/76/10/32/607761032.db2.gz PWYSLCXFAGCVFH-UHFFFAOYSA-N -1 3 386.456 3.734 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)CCCC2CCCC2)cc1-c1nn[n-]n1 ZINC000825532217 607761033 /nfs/dbraw/zinc/76/10/33/607761033.db2.gz PWYSLCXFAGCVFH-UHFFFAOYSA-N -1 3 386.456 3.734 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000833420231 605552899 /nfs/dbraw/zinc/55/28/99/605552899.db2.gz PFBBGDVEMFUVSA-CYBMUJFWSA-N -1 3 398.297 3.543 20 0 GHADHM O=C([O-])N1CC[C@@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000834078794 605557678 /nfs/dbraw/zinc/55/76/78/605557678.db2.gz VICGPRNCDDWVJR-NSHDSACASA-N -1 3 385.411 3.918 20 0 GHADHM O=C([O-])NC[C@H]1CCCN1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000834222449 605617178 /nfs/dbraw/zinc/61/71/78/605617178.db2.gz YMDSWGJQNXQUHD-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM CCc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000825711472 607768923 /nfs/dbraw/zinc/76/89/23/607768923.db2.gz CEHCLBFABMGZPL-UHFFFAOYSA-N -1 3 380.427 3.765 20 0 GHADHM CCc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000825711472 607768924 /nfs/dbraw/zinc/76/89/24/607768924.db2.gz CEHCLBFABMGZPL-UHFFFAOYSA-N -1 3 380.427 3.765 20 0 GHADHM CCCCS[C@@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825296395 607769502 /nfs/dbraw/zinc/76/95/02/607769502.db2.gz HCFSKMZHHCQSBB-NSHDSACASA-N -1 3 388.522 3.851 20 0 GHADHM CCCCS[C@@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296395 607769503 /nfs/dbraw/zinc/76/95/03/607769503.db2.gz HCFSKMZHHCQSBB-NSHDSACASA-N -1 3 388.522 3.851 20 0 GHADHM Cn1c2ccccc2nc1[C@@H](N[C@@H]1CCCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833941449 606038370 /nfs/dbraw/zinc/03/83/70/606038370.db2.gz MECLSXFIJLWDHW-XLIONFOSSA-N -1 3 378.476 3.785 20 0 GHADHM Clc1ccc([C@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)cc1 ZINC000822574574 606052295 /nfs/dbraw/zinc/05/22/95/606052295.db2.gz WEOLFMMLXVYEMD-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)cc1 ZINC000822574574 606052298 /nfs/dbraw/zinc/05/22/98/606052298.db2.gz WEOLFMMLXVYEMD-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717860 606109773 /nfs/dbraw/zinc/10/97/73/606109773.db2.gz XWUAVQFNMVYIOH-VBKZILBWSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820717860 606109776 /nfs/dbraw/zinc/10/97/76/606109776.db2.gz XWUAVQFNMVYIOH-VBKZILBWSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717861 606109980 /nfs/dbraw/zinc/10/99/80/606109980.db2.gz XWUAVQFNMVYIOH-VLIAUNLRSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717861 606109981 /nfs/dbraw/zinc/10/99/81/606109981.db2.gz XWUAVQFNMVYIOH-VLIAUNLRSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C(C)(C)C1 ZINC000820744248 606114885 /nfs/dbraw/zinc/11/48/85/606114885.db2.gz XKWWFYWCZBHDAC-CYBMUJFWSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C(C)(C)C1 ZINC000820744248 606114888 /nfs/dbraw/zinc/11/48/88/606114888.db2.gz XKWWFYWCZBHDAC-CYBMUJFWSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(Cl)s1 ZINC000819867501 606126110 /nfs/dbraw/zinc/12/61/10/606126110.db2.gz STIBTHXEIOTHRR-SECBINFHSA-N -1 3 378.889 3.880 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(Cl)s1 ZINC000819867501 606126111 /nfs/dbraw/zinc/12/61/11/606126111.db2.gz STIBTHXEIOTHRR-SECBINFHSA-N -1 3 378.889 3.880 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562144 606149292 /nfs/dbraw/zinc/14/92/92/606149292.db2.gz DNSMTIQTHSTBMG-KBPBESRZSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562144 606149294 /nfs/dbraw/zinc/14/92/94/606149294.db2.gz DNSMTIQTHSTBMG-KBPBESRZSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820563415 606149375 /nfs/dbraw/zinc/14/93/75/606149375.db2.gz QPKGQTUNZALWRY-GHMZBOCLSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820563415 606149377 /nfs/dbraw/zinc/14/93/77/606149377.db2.gz QPKGQTUNZALWRY-GHMZBOCLSA-N -1 3 375.885 3.846 20 0 GHADHM Cc1cccc2nc(CNc3ccccc3Oc3ncccc3-c3nnn[n-]3)cn21 ZINC000822341542 606156512 /nfs/dbraw/zinc/15/65/12/606156512.db2.gz ZNJVWMBFBGBPSN-UHFFFAOYSA-N -1 3 398.430 3.622 20 0 GHADHM C[C@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820716632 606167576 /nfs/dbraw/zinc/16/75/76/606167576.db2.gz KANMUWVDPRCEIZ-YVEFUNNKSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820716632 606167578 /nfs/dbraw/zinc/16/75/78/606167578.db2.gz KANMUWVDPRCEIZ-YVEFUNNKSA-N -1 3 382.468 3.786 20 0 GHADHM COc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1OC ZINC000821867956 606175547 /nfs/dbraw/zinc/17/55/47/606175547.db2.gz MRNAYBSQVRTTJR-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1OC ZINC000821867956 606175548 /nfs/dbraw/zinc/17/55/48/606175548.db2.gz MRNAYBSQVRTTJR-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1c2ccccc2-c2ccccc21 ZINC000821571958 606185414 /nfs/dbraw/zinc/18/54/14/606185414.db2.gz MLYFSUIZEJQVGT-UHFFFAOYSA-N -1 3 396.454 3.778 20 0 GHADHM CN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1c2ccccc2-c2ccccc21 ZINC000821571958 606185416 /nfs/dbraw/zinc/18/54/16/606185416.db2.gz MLYFSUIZEJQVGT-UHFFFAOYSA-N -1 3 396.454 3.778 20 0 GHADHM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820396596 606185751 /nfs/dbraw/zinc/18/57/51/606185751.db2.gz HCRUMYYPQSYMPZ-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820396596 606185753 /nfs/dbraw/zinc/18/57/53/606185753.db2.gz HCRUMYYPQSYMPZ-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C(F)(F)F)c1F ZINC000823413239 606190925 /nfs/dbraw/zinc/19/09/25/606190925.db2.gz CWLBPNDKKLUROJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C(F)(F)F)c1F ZINC000823413239 606190926 /nfs/dbraw/zinc/19/09/26/606190926.db2.gz CWLBPNDKKLUROJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM Cc1noc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1C ZINC000822531188 606193109 /nfs/dbraw/zinc/19/31/09/606193109.db2.gz WJPFSEIEEMUQTP-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1noc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1C ZINC000822531188 606193112 /nfs/dbraw/zinc/19/31/12/606193112.db2.gz WJPFSEIEEMUQTP-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000821608526 606195131 /nfs/dbraw/zinc/19/51/31/606195131.db2.gz LCCYHKANVPUASA-UHFFFAOYSA-N -1 3 389.419 3.549 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000821608526 606195133 /nfs/dbraw/zinc/19/51/33/606195133.db2.gz LCCYHKANVPUASA-UHFFFAOYSA-N -1 3 389.419 3.549 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380118 606195349 /nfs/dbraw/zinc/19/53/49/606195349.db2.gz LPVDULAFDYOZNH-LLVKDONJSA-N -1 3 389.419 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380118 606195350 /nfs/dbraw/zinc/19/53/50/606195350.db2.gz LPVDULAFDYOZNH-LLVKDONJSA-N -1 3 389.419 3.768 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823246386 606197220 /nfs/dbraw/zinc/19/72/20/606197220.db2.gz NISCZHTZWILYLS-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823246386 606197222 /nfs/dbraw/zinc/19/72/22/606197222.db2.gz NISCZHTZWILYLS-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000823445506 606208240 /nfs/dbraw/zinc/20/82/40/606208240.db2.gz YYNXVMWCWQFRGA-CCHVVGMOSA-N -1 3 392.381 3.921 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000823445506 606208242 /nfs/dbraw/zinc/20/82/42/606208242.db2.gz YYNXVMWCWQFRGA-CCHVVGMOSA-N -1 3 392.381 3.921 20 0 GHADHM COc1cccc(C(C)=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821860192 606221602 /nfs/dbraw/zinc/22/16/02/606221602.db2.gz YLNDZXDJKGWAGF-VBKFSLOCSA-N -1 3 391.475 3.716 20 0 GHADHM COc1cccc(C(C)=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821860192 606221604 /nfs/dbraw/zinc/22/16/04/606221604.db2.gz YLNDZXDJKGWAGF-VBKFSLOCSA-N -1 3 391.475 3.716 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819945767 606260595 /nfs/dbraw/zinc/26/05/95/606260595.db2.gz DCNQHIGPGYWORL-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819945767 606260597 /nfs/dbraw/zinc/26/05/97/606260597.db2.gz DCNQHIGPGYWORL-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1OCCC(C)C ZINC000821702793 606261134 /nfs/dbraw/zinc/26/11/34/606261134.db2.gz AKNUMTDTAQWAAE-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1OCCC(C)C ZINC000821702793 606261135 /nfs/dbraw/zinc/26/11/35/606261135.db2.gz AKNUMTDTAQWAAE-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820534205 606261693 /nfs/dbraw/zinc/26/16/93/606261693.db2.gz KASDNQORIMYRIR-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820534205 606261696 /nfs/dbraw/zinc/26/16/96/606261696.db2.gz KASDNQORIMYRIR-MRVPVSSYSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823049893 606262063 /nfs/dbraw/zinc/26/20/63/606262063.db2.gz LTOHOANEZZBMNJ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823049893 606262065 /nfs/dbraw/zinc/26/20/65/606262065.db2.gz LTOHOANEZZBMNJ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822935453 606268474 /nfs/dbraw/zinc/26/84/74/606268474.db2.gz LLRWKABUPDXSPL-CYBMUJFWSA-N -1 3 379.317 3.681 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822935453 606268476 /nfs/dbraw/zinc/26/84/76/606268476.db2.gz LLRWKABUPDXSPL-CYBMUJFWSA-N -1 3 379.317 3.681 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640234 606301011 /nfs/dbraw/zinc/30/10/11/606301011.db2.gz DGEWINZITPUVFP-KUHUBIRLSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640234 606301013 /nfs/dbraw/zinc/30/10/13/606301013.db2.gz DGEWINZITPUVFP-KUHUBIRLSA-N -1 3 393.491 3.729 20 0 GHADHM Cc1ccccc1Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000822361457 606312892 /nfs/dbraw/zinc/31/28/92/606312892.db2.gz BJKUMLVWTHIFME-UHFFFAOYSA-N -1 3 382.424 3.580 20 0 GHADHM Cc1ccccc1Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000822361457 606312893 /nfs/dbraw/zinc/31/28/93/606312893.db2.gz BJKUMLVWTHIFME-UHFFFAOYSA-N -1 3 382.424 3.580 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233472 606343490 /nfs/dbraw/zinc/34/34/90/606343490.db2.gz PSTQINFAEDLIEW-XPGWFJOJSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233472 606343492 /nfs/dbraw/zinc/34/34/92/606343492.db2.gz PSTQINFAEDLIEW-XPGWFJOJSA-N -1 3 392.459 3.947 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821607516 606350993 /nfs/dbraw/zinc/35/09/93/606350993.db2.gz RVNNFCVQDLEWBN-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821607516 606350995 /nfs/dbraw/zinc/35/09/95/606350995.db2.gz RVNNFCVQDLEWBN-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000822331996 606351728 /nfs/dbraw/zinc/35/17/28/606351728.db2.gz KHYQUQKXESIREV-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000822331996 606351729 /nfs/dbraw/zinc/35/17/29/606351729.db2.gz KHYQUQKXESIREV-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535193 606352490 /nfs/dbraw/zinc/35/24/90/606352490.db2.gz JEEXDJOEBRWDQD-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535193 606352492 /nfs/dbraw/zinc/35/24/92/606352492.db2.gz JEEXDJOEBRWDQD-NSHDSACASA-N -1 3 395.444 3.739 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1(C(F)(F)F)CC1 ZINC000823453828 606361908 /nfs/dbraw/zinc/36/19/08/606361908.db2.gz AXKYESQIAADVBC-UHFFFAOYSA-N -1 3 390.321 3.907 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1(C(F)(F)F)CC1 ZINC000823453828 606361909 /nfs/dbraw/zinc/36/19/09/606361909.db2.gz AXKYESQIAADVBC-UHFFFAOYSA-N -1 3 390.321 3.907 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820937641 606362537 /nfs/dbraw/zinc/36/25/37/606362537.db2.gz AVDXKOJAHJSTPW-MLGOLLRUSA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820937641 606362539 /nfs/dbraw/zinc/36/25/39/606362539.db2.gz AVDXKOJAHJSTPW-MLGOLLRUSA-N -1 3 385.855 3.555 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821014295 606367764 /nfs/dbraw/zinc/36/77/64/606367764.db2.gz DETVQNHTKLUCHK-GJZGRUSLSA-N -1 3 379.464 3.606 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821014295 606367767 /nfs/dbraw/zinc/36/77/67/606367767.db2.gz DETVQNHTKLUCHK-GJZGRUSLSA-N -1 3 379.464 3.606 20 0 GHADHM O=C(Nc1ccc(O)cc1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823350340 606381733 /nfs/dbraw/zinc/38/17/33/606381733.db2.gz JUNQQYJZCFVTKH-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Nc1ccc(O)cc1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823350340 606381734 /nfs/dbraw/zinc/38/17/34/606381734.db2.gz JUNQQYJZCFVTKH-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1nccs1 ZINC000822184585 606397138 /nfs/dbraw/zinc/39/71/38/606397138.db2.gz XIDZBSRAJVCJLO-CYBMUJFWSA-N -1 3 394.460 3.649 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1nccs1 ZINC000822184585 606397140 /nfs/dbraw/zinc/39/71/40/606397140.db2.gz XIDZBSRAJVCJLO-CYBMUJFWSA-N -1 3 394.460 3.649 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225800 606397319 /nfs/dbraw/zinc/39/73/19/606397319.db2.gz PNDJCIHVAGZDBU-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225800 606397320 /nfs/dbraw/zinc/39/73/20/606397320.db2.gz PNDJCIHVAGZDBU-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccc(F)cc2)cc1 ZINC000821778142 606414626 /nfs/dbraw/zinc/41/46/26/606414626.db2.gz VLLJZGCBCFYKHE-IBGZPJMESA-N -1 3 395.463 3.955 20 0 GHADHM Cc1cc(C)cc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822198053 606414796 /nfs/dbraw/zinc/41/47/96/606414796.db2.gz ZYOMQCALVPRIAO-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Cc1cc(C)cc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822198053 606414798 /nfs/dbraw/zinc/41/47/98/606414798.db2.gz ZYOMQCALVPRIAO-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4c(-c5nnn[n-]5)cnc5ccccc54)C3)nc2c1 ZINC000823802063 606453066 /nfs/dbraw/zinc/45/30/66/606453066.db2.gz HGZRBSTUGFVTHS-AWEZNQCLSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@H]3CCCN(c4c(-c5nn[n-]n5)cnc5ccccc54)C3)nc2c1 ZINC000823802063 606453068 /nfs/dbraw/zinc/45/30/68/606453068.db2.gz HGZRBSTUGFVTHS-AWEZNQCLSA-N -1 3 397.442 3.940 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)cs2)nc1-c1ccc(F)cc1 ZINC000822563102 606480649 /nfs/dbraw/zinc/48/06/49/606480649.db2.gz DXWXGJWEXAEICN-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)cs2)nc1-c1ccc(F)cc1 ZINC000822563102 606480651 /nfs/dbraw/zinc/48/06/51/606480651.db2.gz DXWXGJWEXAEICN-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C2CC2)o1 ZINC000822237243 606483984 /nfs/dbraw/zinc/48/39/84/606483984.db2.gz LJPLSJGBTJXIDT-UHFFFAOYSA-N -1 3 375.379 3.534 20 0 GHADHM Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C2CC2)o1 ZINC000822237243 606483986 /nfs/dbraw/zinc/48/39/86/606483986.db2.gz LJPLSJGBTJXIDT-UHFFFAOYSA-N -1 3 375.379 3.534 20 0 GHADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299037 606492333 /nfs/dbraw/zinc/49/23/33/606492333.db2.gz DRAVTHPOTGKILI-UHFFFAOYSA-N -1 3 378.417 3.713 20 0 GHADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299037 606492335 /nfs/dbraw/zinc/49/23/35/606492335.db2.gz DRAVTHPOTGKILI-UHFFFAOYSA-N -1 3 378.417 3.713 20 0 GHADHM CCOc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000821401597 606494208 /nfs/dbraw/zinc/49/42/08/606494208.db2.gz XSYNGJWTGFXHMI-UHFFFAOYSA-N -1 3 398.473 3.703 20 0 GHADHM CCOc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000821401597 606494211 /nfs/dbraw/zinc/49/42/11/606494211.db2.gz XSYNGJWTGFXHMI-UHFFFAOYSA-N -1 3 398.473 3.703 20 0 GHADHM O=C(Nc1ncccc1OCC1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823383338 606508516 /nfs/dbraw/zinc/50/85/16/606508516.db2.gz PTIBPIMLLFQXIO-UHFFFAOYSA-N -1 3 384.465 3.535 20 0 GHADHM O=C(Nc1ncccc1OCC1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823383338 606508517 /nfs/dbraw/zinc/50/85/17/606508517.db2.gz PTIBPIMLLFQXIO-UHFFFAOYSA-N -1 3 384.465 3.535 20 0 GHADHM Cn1cccc1[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822693975 606510184 /nfs/dbraw/zinc/51/01/84/606510184.db2.gz PYFWRJYYAVEWTG-INIZCTEOSA-N -1 3 388.422 3.534 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000822193971 606510776 /nfs/dbraw/zinc/51/07/76/606510776.db2.gz BVCRUBWFOVUNAW-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000822193971 606510778 /nfs/dbraw/zinc/51/07/78/606510778.db2.gz BVCRUBWFOVUNAW-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)c1C ZINC000822332451 606512937 /nfs/dbraw/zinc/51/29/37/606512937.db2.gz PZJRUMXBENUSBJ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)c1C ZINC000822332451 606512939 /nfs/dbraw/zinc/51/29/39/606512939.db2.gz PZJRUMXBENUSBJ-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000821564057 606520357 /nfs/dbraw/zinc/52/03/57/606520357.db2.gz RNHIVKWLNXKGDE-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000821564057 606520359 /nfs/dbraw/zinc/52/03/59/606520359.db2.gz RNHIVKWLNXKGDE-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000820717306 606533194 /nfs/dbraw/zinc/53/31/94/606533194.db2.gz PHAWRUMCXBVKKT-KGLIPLIRSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000820717306 606533196 /nfs/dbraw/zinc/53/31/96/606533196.db2.gz PHAWRUMCXBVKKT-KGLIPLIRSA-N -1 3 379.489 3.888 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000823087303 606539952 /nfs/dbraw/zinc/53/99/52/606539952.db2.gz NWHGYHFNTYKLTP-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000823087303 606539954 /nfs/dbraw/zinc/53/99/54/606539954.db2.gz NWHGYHFNTYKLTP-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000823104510 606549373 /nfs/dbraw/zinc/54/93/73/606549373.db2.gz YHCWHKPSFLANRU-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000823104510 606549376 /nfs/dbraw/zinc/54/93/76/606549376.db2.gz YHCWHKPSFLANRU-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)[C@@H]1C ZINC000820717869 606572894 /nfs/dbraw/zinc/57/28/94/606572894.db2.gz XXQIZFUZGXTFMW-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)[C@@H]1C ZINC000820717869 606572896 /nfs/dbraw/zinc/57/28/96/606572896.db2.gz XXQIZFUZGXTFMW-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820380265 606578917 /nfs/dbraw/zinc/57/89/17/606578917.db2.gz ORXQYXBBLZYEHE-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820380265 606578920 /nfs/dbraw/zinc/57/89/20/606578920.db2.gz ORXQYXBBLZYEHE-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898683 606582941 /nfs/dbraw/zinc/58/29/41/606582941.db2.gz HVRGEZUBRZFMNW-JLHYYAGUSA-N -1 3 375.432 3.747 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000819898683 606582942 /nfs/dbraw/zinc/58/29/42/606582942.db2.gz HVRGEZUBRZFMNW-JLHYYAGUSA-N -1 3 375.432 3.747 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(SC(=O)N(C)C)cc1 ZINC000821394835 606588554 /nfs/dbraw/zinc/58/85/54/606588554.db2.gz OFYRUXYEBWDDQD-UHFFFAOYSA-N -1 3 399.476 3.618 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(SC(=O)N(C)C)cc1 ZINC000821394835 606588556 /nfs/dbraw/zinc/58/85/56/606588556.db2.gz OFYRUXYEBWDDQD-UHFFFAOYSA-N -1 3 399.476 3.618 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822983864 606603474 /nfs/dbraw/zinc/60/34/74/606603474.db2.gz VHIYILREGCCWAN-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccoc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822983864 606603475 /nfs/dbraw/zinc/60/34/75/606603475.db2.gz VHIYILREGCCWAN-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821563897 606605313 /nfs/dbraw/zinc/60/53/13/606605313.db2.gz KXWGZHSPFGBSJN-LJQANCHMSA-N -1 3 391.454 3.713 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823065997 606605809 /nfs/dbraw/zinc/60/58/09/606605809.db2.gz HXWTXYHMABBSHT-OAHLLOKOSA-N -1 3 399.442 3.586 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000823065997 606605811 /nfs/dbraw/zinc/60/58/11/606605811.db2.gz HXWTXYHMABBSHT-OAHLLOKOSA-N -1 3 399.442 3.586 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000820549057 606630146 /nfs/dbraw/zinc/63/01/46/606630146.db2.gz JMRDKELMLVBNBQ-LBPRGKRZSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000820549057 606630147 /nfs/dbraw/zinc/63/01/47/606630147.db2.gz JMRDKELMLVBNBQ-LBPRGKRZSA-N -1 3 399.907 3.586 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)c2cc[nH]c2C)cc1 ZINC000821703156 606630164 /nfs/dbraw/zinc/63/01/64/606630164.db2.gz RJDRFTDBQZVZOD-UHFFFAOYSA-N -1 3 390.403 3.556 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)c2cc[nH]c2C)cc1 ZINC000821703156 606630166 /nfs/dbraw/zinc/63/01/66/606630166.db2.gz RJDRFTDBQZVZOD-UHFFFAOYSA-N -1 3 390.403 3.556 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(Cl)s1 ZINC000819866524 606631348 /nfs/dbraw/zinc/63/13/48/606631348.db2.gz NTMBAGVUMJHELM-SSDOTTSWSA-N -1 3 399.810 3.925 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(Cl)s1 ZINC000819866524 606631349 /nfs/dbraw/zinc/63/13/49/606631349.db2.gz NTMBAGVUMJHELM-SSDOTTSWSA-N -1 3 399.810 3.925 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(CCc2ccccc2)CC1 ZINC000823455106 606664926 /nfs/dbraw/zinc/66/49/26/606664926.db2.gz WOLCCQLKSCGHRY-UHFFFAOYSA-N -1 3 397.429 3.630 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(CCc2ccccc2)CC1 ZINC000823455106 606664927 /nfs/dbraw/zinc/66/49/27/606664927.db2.gz WOLCCQLKSCGHRY-UHFFFAOYSA-N -1 3 397.429 3.630 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000820086977 606670669 /nfs/dbraw/zinc/67/06/69/606670669.db2.gz ISKPXHSVEKMPQT-LEWJYISDSA-N -1 3 389.503 3.730 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000820086977 606670670 /nfs/dbraw/zinc/67/06/70/606670670.db2.gz ISKPXHSVEKMPQT-LEWJYISDSA-N -1 3 389.503 3.730 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820225818 606674162 /nfs/dbraw/zinc/67/41/62/606674162.db2.gz PYBVEJCQGSXSAA-GFCCVEGCSA-N -1 3 385.418 3.631 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820225818 606674163 /nfs/dbraw/zinc/67/41/63/606674163.db2.gz PYBVEJCQGSXSAA-GFCCVEGCSA-N -1 3 385.418 3.631 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000820054599 606674370 /nfs/dbraw/zinc/67/43/70/606674370.db2.gz CCNXNBWXGZSHJC-CYBMUJFWSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000820054599 606674371 /nfs/dbraw/zinc/67/43/71/606674371.db2.gz CCNXNBWXGZSHJC-CYBMUJFWSA-N -1 3 377.420 3.724 20 0 GHADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC(F)F)cc1 ZINC000820502238 606679655 /nfs/dbraw/zinc/67/96/55/606679655.db2.gz ONQFYRXPMDOBQH-QMMMGPOBSA-N -1 3 396.300 3.664 20 0 GHADHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)cc1 ZINC000820502238 606679656 /nfs/dbraw/zinc/67/96/56/606679656.db2.gz ONQFYRXPMDOBQH-QMMMGPOBSA-N -1 3 396.300 3.664 20 0 GHADHM O=C(Nc1ccc(N2CCCCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823350687 606680128 /nfs/dbraw/zinc/68/01/28/606680128.db2.gz XHXMCAZKEXSGQD-UHFFFAOYSA-N -1 3 398.417 3.778 20 0 GHADHM O=C(Nc1ccc(N2CCCCCC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823350687 606680129 /nfs/dbraw/zinc/68/01/29/606680129.db2.gz XHXMCAZKEXSGQD-UHFFFAOYSA-N -1 3 398.417 3.778 20 0 GHADHM CCC1(CC)CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820957010 606691125 /nfs/dbraw/zinc/69/11/25/606691125.db2.gz MBTHRUQVBBQQGY-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM CCC1(CC)CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820957010 606691126 /nfs/dbraw/zinc/69/11/26/606691126.db2.gz MBTHRUQVBBQQGY-UHFFFAOYSA-N -1 3 395.463 3.691 20 0 GHADHM Cn1c(Cl)cnc1CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822601293 606707729 /nfs/dbraw/zinc/70/77/29/606707729.db2.gz XGJLTCXYTBPMCW-UHFFFAOYSA-N -1 3 381.827 3.658 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823557481 606712076 /nfs/dbraw/zinc/71/20/76/606712076.db2.gz LNUYBDLSXLCRAU-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823557481 606712077 /nfs/dbraw/zinc/71/20/77/606712077.db2.gz LNUYBDLSXLCRAU-BQYQJAHWSA-N -1 3 396.259 3.586 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2=CCCC2)cc1 ZINC000821702031 606723293 /nfs/dbraw/zinc/72/32/93/606723293.db2.gz FETOYWFFOAEFFI-UHFFFAOYSA-N -1 3 377.404 3.716 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2=CCCC2)cc1 ZINC000821702031 606723295 /nfs/dbraw/zinc/72/32/95/606723295.db2.gz FETOYWFFOAEFFI-UHFFFAOYSA-N -1 3 377.404 3.716 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820398011 606745639 /nfs/dbraw/zinc/74/56/39/606745639.db2.gz ZBMJNMXGVMZWBU-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820398011 606745642 /nfs/dbraw/zinc/74/56/42/606745642.db2.gz ZBMJNMXGVMZWBU-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820518496 606747559 /nfs/dbraw/zinc/74/75/59/606747559.db2.gz FTWGOJDAZYHYCR-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820518496 606747561 /nfs/dbraw/zinc/74/75/61/606747561.db2.gz FTWGOJDAZYHYCR-CYBMUJFWSA-N -1 3 391.456 3.832 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1cccc(Cl)c1Cl ZINC000823031883 606786374 /nfs/dbraw/zinc/78/63/74/606786374.db2.gz ITEDLIVBPVQDTA-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1cccc(Cl)c1Cl ZINC000823031883 606786375 /nfs/dbraw/zinc/78/63/75/606786375.db2.gz ITEDLIVBPVQDTA-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820971744 606790623 /nfs/dbraw/zinc/79/06/23/606790623.db2.gz FJTUVUBBWJHPQP-YJBOKZPZSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820971744 606790625 /nfs/dbraw/zinc/79/06/25/606790625.db2.gz FJTUVUBBWJHPQP-YJBOKZPZSA-N -1 3 379.420 3.555 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)c1C ZINC000822144745 606791376 /nfs/dbraw/zinc/79/13/76/606791376.db2.gz NJEWHXSTEXWXRU-UHFFFAOYSA-N -1 3 389.419 3.560 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000822136587 606792722 /nfs/dbraw/zinc/79/27/22/606792722.db2.gz MLBZOJPAHLMAFN-WMZOPIPTSA-N -1 3 375.432 3.592 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000822136587 606792724 /nfs/dbraw/zinc/79/27/24/606792724.db2.gz MLBZOJPAHLMAFN-WMZOPIPTSA-N -1 3 375.432 3.592 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230288 606798011 /nfs/dbraw/zinc/79/80/11/606798011.db2.gz BLVHMYAQEGGXNW-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230288 606798012 /nfs/dbraw/zinc/79/80/12/606798012.db2.gz BLVHMYAQEGGXNW-LJQANCHMSA-N -1 3 376.464 3.530 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820972070 606828011 /nfs/dbraw/zinc/82/80/11/606828011.db2.gz KHKHLHYTQVMOAN-APWZRJJASA-N -1 3 378.432 3.535 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820972070 606828012 /nfs/dbraw/zinc/82/80/12/606828012.db2.gz KHKHLHYTQVMOAN-APWZRJJASA-N -1 3 378.432 3.535 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(-c2ccsc2)no1 ZINC000822564114 606852371 /nfs/dbraw/zinc/85/23/71/606852371.db2.gz UPOHKRKMWLUVSD-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2ccsc2)no1 ZINC000822564114 606852372 /nfs/dbraw/zinc/85/23/72/606852372.db2.gz UPOHKRKMWLUVSD-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM FC(F)(F)Cc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822718836 606865500 /nfs/dbraw/zinc/86/55/00/606865500.db2.gz RQNZJYZQYAIUPG-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM FC(F)(F)Cc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822718836 606865501 /nfs/dbraw/zinc/86/55/01/606865501.db2.gz RQNZJYZQYAIUPG-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)c(Cl)c1 ZINC000823337839 606874037 /nfs/dbraw/zinc/87/40/37/606874037.db2.gz UEZHBVFVZNTJTM-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)c(Cl)c1 ZINC000823337839 606874039 /nfs/dbraw/zinc/87/40/39/606874039.db2.gz UEZHBVFVZNTJTM-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC(C)C[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820063575 606905003 /nfs/dbraw/zinc/90/50/03/606905003.db2.gz WPWRWBQQISTDSC-ZDUSSCGKSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)C[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820063575 606905004 /nfs/dbraw/zinc/90/50/04/606905004.db2.gz WPWRWBQQISTDSC-ZDUSSCGKSA-N -1 3 394.426 3.901 20 0 GHADHM C[C@@H](CNc1ccccc1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820281219 606915350 /nfs/dbraw/zinc/91/53/50/606915350.db2.gz UDISRVYGHADZTF-INIZCTEOSA-N -1 3 398.470 3.764 20 0 GHADHM C[C@@H](CNc1ccccc1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820281219 606915351 /nfs/dbraw/zinc/91/53/51/606915351.db2.gz UDISRVYGHADZTF-INIZCTEOSA-N -1 3 398.470 3.764 20 0 GHADHM Cc1nc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)nc2ccccc12 ZINC000822444682 606931857 /nfs/dbraw/zinc/93/18/57/606931857.db2.gz XJKHJIUQRNRYOL-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM Cc1nc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)nc2ccccc12 ZINC000822444682 606931858 /nfs/dbraw/zinc/93/18/58/606931858.db2.gz XJKHJIUQRNRYOL-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM CC(C)(C)c1nnc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000819971464 606945527 /nfs/dbraw/zinc/94/55/27/606945527.db2.gz MGGVKFYMLLFDHW-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000819971464 606945528 /nfs/dbraw/zinc/94/55/28/606945528.db2.gz MGGVKFYMLLFDHW-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccsc2)C1 ZINC000822718461 606949823 /nfs/dbraw/zinc/94/98/23/606949823.db2.gz IYDRJACCAOHIRN-CQSZACIVSA-N -1 3 381.383 3.525 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000821466323 606957470 /nfs/dbraw/zinc/95/74/70/606957470.db2.gz VUGKZIYEOKQBMF-UHFFFAOYSA-N -1 3 383.355 3.642 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000821466323 606957471 /nfs/dbraw/zinc/95/74/71/606957471.db2.gz VUGKZIYEOKQBMF-UHFFFAOYSA-N -1 3 383.355 3.642 20 0 GHADHM CC(C)COc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000820102630 606962434 /nfs/dbraw/zinc/96/24/34/606962434.db2.gz FFKNRVCRXADVIL-UHFFFAOYSA-N -1 3 399.882 3.760 20 0 GHADHM CC(C)COc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000820102630 606962435 /nfs/dbraw/zinc/96/24/35/606962435.db2.gz FFKNRVCRXADVIL-UHFFFAOYSA-N -1 3 399.882 3.760 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)on2)cc1 ZINC000822212693 606965316 /nfs/dbraw/zinc/96/53/16/606965316.db2.gz CKAAMLJMFMNWMO-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)on2)cc1 ZINC000822212693 606965318 /nfs/dbraw/zinc/96/53/18/606965318.db2.gz CKAAMLJMFMNWMO-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM CCS[C@H](C)c1noc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000821448317 606985415 /nfs/dbraw/zinc/98/54/15/606985415.db2.gz NFPPSXMALLIXTM-MRVPVSSYSA-N -1 3 399.402 3.695 20 0 GHADHM CCS[C@H](C)c1noc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000821448317 606985417 /nfs/dbraw/zinc/98/54/17/606985417.db2.gz NFPPSXMALLIXTM-MRVPVSSYSA-N -1 3 399.402 3.695 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000821449970 606988763 /nfs/dbraw/zinc/98/87/63/606988763.db2.gz YWQKPDKGIPAGOQ-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000821449970 606988765 /nfs/dbraw/zinc/98/87/65/606988765.db2.gz YWQKPDKGIPAGOQ-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820562338 607011389 /nfs/dbraw/zinc/01/13/89/607011389.db2.gz FLPZUPFLSNETLT-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820562338 607011391 /nfs/dbraw/zinc/01/13/91/607011391.db2.gz FLPZUPFLSNETLT-GFCCVEGCSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820557435 607011395 /nfs/dbraw/zinc/01/13/95/607011395.db2.gz ZGBUFCKWZPNSLS-ZDUSSCGKSA-N -1 3 393.472 3.925 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820557435 607011397 /nfs/dbraw/zinc/01/13/97/607011397.db2.gz ZGBUFCKWZPNSLS-ZDUSSCGKSA-N -1 3 393.472 3.925 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccc1Cl ZINC000822176659 607036866 /nfs/dbraw/zinc/03/68/66/607036866.db2.gz NRCFOEJQXHBWJH-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1Cl ZINC000822176659 607036867 /nfs/dbraw/zinc/03/68/67/607036867.db2.gz NRCFOEJQXHBWJH-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM CCS[C@@H](C)c1noc(CN(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449599 607068387 /nfs/dbraw/zinc/06/83/87/607068387.db2.gz VOKRSIGXFMYXDB-OLZOCXBDSA-N -1 3 387.513 3.647 20 0 GHADHM CCS[C@@H](C)c1noc(CN(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449599 607068389 /nfs/dbraw/zinc/06/83/89/607068389.db2.gz VOKRSIGXFMYXDB-OLZOCXBDSA-N -1 3 387.513 3.647 20 0 GHADHM CC(C)CCn1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)n1 ZINC000820081275 607074309 /nfs/dbraw/zinc/07/43/09/607074309.db2.gz AHCHVFKMTZEEDD-UHFFFAOYSA-N -1 3 396.499 3.552 20 0 GHADHM CC(C)CCn1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)n1 ZINC000820081275 607074311 /nfs/dbraw/zinc/07/43/11/607074311.db2.gz AHCHVFKMTZEEDD-UHFFFAOYSA-N -1 3 396.499 3.552 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cnc(-c2ccccc2F)s1 ZINC000823417923 607081275 /nfs/dbraw/zinc/08/12/75/607081275.db2.gz LURBYQVTNMPPNF-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cnc(-c2ccccc2F)s1 ZINC000823417923 607081276 /nfs/dbraw/zinc/08/12/76/607081276.db2.gz LURBYQVTNMPPNF-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913148 607094077 /nfs/dbraw/zinc/09/40/77/607094077.db2.gz CTFGMWGWQMTLPX-OXQOHEQNSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913148 607094080 /nfs/dbraw/zinc/09/40/80/607094080.db2.gz CTFGMWGWQMTLPX-OXQOHEQNSA-N -1 3 392.507 3.981 20 0 GHADHM COc1cccc2c1CC[C@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821877560 607119231 /nfs/dbraw/zinc/11/92/31/607119231.db2.gz LYMDJNQBCYEFIW-MRXNPFEDSA-N -1 3 394.385 3.801 20 0 GHADHM COc1cccc2c1CC[C@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821877560 607119232 /nfs/dbraw/zinc/11/92/32/607119232.db2.gz LYMDJNQBCYEFIW-MRXNPFEDSA-N -1 3 394.385 3.801 20 0 GHADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1 ZINC000820841793 607150094 /nfs/dbraw/zinc/15/00/94/607150094.db2.gz DRRRMXGKMWQWTI-NSHDSACASA-N -1 3 395.488 3.898 20 0 GHADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1 ZINC000820841793 607150096 /nfs/dbraw/zinc/15/00/96/607150096.db2.gz DRRRMXGKMWQWTI-NSHDSACASA-N -1 3 395.488 3.898 20 0 GHADHM CCO[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)C(C)C ZINC000821350982 607154896 /nfs/dbraw/zinc/15/48/96/607154896.db2.gz IGAJJLJCIWOOSM-FQEVSTJZSA-N -1 3 393.491 3.851 20 0 GHADHM CCO[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)C(C)C ZINC000821350982 607154897 /nfs/dbraw/zinc/15/48/97/607154897.db2.gz IGAJJLJCIWOOSM-FQEVSTJZSA-N -1 3 393.491 3.851 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822535665 607190154 /nfs/dbraw/zinc/19/01/54/607190154.db2.gz ZYGHXLUXRHQYLJ-UHFFFAOYSA-N -1 3 394.822 3.665 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822535665 607190155 /nfs/dbraw/zinc/19/01/55/607190155.db2.gz ZYGHXLUXRHQYLJ-UHFFFAOYSA-N -1 3 394.822 3.665 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822283803 607192640 /nfs/dbraw/zinc/19/26/40/607192640.db2.gz DJMUOJBXYNYDJD-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822283803 607192641 /nfs/dbraw/zinc/19/26/41/607192641.db2.gz DJMUOJBXYNYDJD-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(c2ccc(Cl)cc2)CC1 ZINC000823319840 607196913 /nfs/dbraw/zinc/19/69/13/607196913.db2.gz ZWUQVYIJUCLARZ-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(c2ccc(Cl)cc2)CC1 ZINC000823319840 607196914 /nfs/dbraw/zinc/19/69/14/607196914.db2.gz ZWUQVYIJUCLARZ-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823218998 607198386 /nfs/dbraw/zinc/19/83/86/607198386.db2.gz DFJVYLIBZAVPCK-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823218998 607198387 /nfs/dbraw/zinc/19/83/87/607198387.db2.gz DFJVYLIBZAVPCK-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821048406 607230548 /nfs/dbraw/zinc/23/05/48/607230548.db2.gz CHVDFPVXABFZQB-OAHLLOKOSA-N -1 3 395.511 3.870 20 0 GHADHM CCCCCC[C@@H](CC)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821048406 607230549 /nfs/dbraw/zinc/23/05/49/607230549.db2.gz CHVDFPVXABFZQB-OAHLLOKOSA-N -1 3 395.511 3.870 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820937993 607234327 /nfs/dbraw/zinc/23/43/27/607234327.db2.gz GJEPNUJZVNBVFJ-NVXWUHKLSA-N -1 3 396.882 3.714 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820937993 607234328 /nfs/dbraw/zinc/23/43/28/607234328.db2.gz GJEPNUJZVNBVFJ-NVXWUHKLSA-N -1 3 396.882 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccnc(Oc2ccccc2)c1 ZINC000823319718 607244259 /nfs/dbraw/zinc/24/42/59/607244259.db2.gz XUHUCHGLQWKTHD-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccnc(Oc2ccccc2)c1 ZINC000823319718 607244260 /nfs/dbraw/zinc/24/42/60/607244260.db2.gz XUHUCHGLQWKTHD-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000825544952 607783786 /nfs/dbraw/zinc/78/37/86/607783786.db2.gz IVEIRFFCTZNZLQ-UHFFFAOYSA-N -1 3 397.464 3.552 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000825544952 607783787 /nfs/dbraw/zinc/78/37/87/607783787.db2.gz IVEIRFFCTZNZLQ-UHFFFAOYSA-N -1 3 397.464 3.552 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825067749 607785426 /nfs/dbraw/zinc/78/54/26/607785426.db2.gz LWYDHTNLWAVWLD-AWEZNQCLSA-N -1 3 399.882 3.868 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825067749 607785427 /nfs/dbraw/zinc/78/54/27/607785427.db2.gz LWYDHTNLWAVWLD-AWEZNQCLSA-N -1 3 399.882 3.868 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCCCC(F)(F)F ZINC000826176677 607785809 /nfs/dbraw/zinc/78/58/09/607785809.db2.gz YYONTDXZVPBWNW-UHFFFAOYSA-N -1 3 376.404 3.720 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCCCC(F)(F)F ZINC000826176677 607785810 /nfs/dbraw/zinc/78/58/10/607785810.db2.gz YYONTDXZVPBWNW-UHFFFAOYSA-N -1 3 376.404 3.720 20 0 GHADHM CCN(C(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390763 607797749 /nfs/dbraw/zinc/79/77/49/607797749.db2.gz LXJQFUPQTUBMPM-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(C(=O)c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390763 607797750 /nfs/dbraw/zinc/79/77/50/607797750.db2.gz LXJQFUPQTUBMPM-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)c(Br)c1 ZINC000826454037 607800987 /nfs/dbraw/zinc/80/09/87/607800987.db2.gz HZKFLIJECFEGGG-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)c(Br)c1 ZINC000826454037 607800988 /nfs/dbraw/zinc/80/09/88/607800988.db2.gz HZKFLIJECFEGGG-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cn1c2cccc(NCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2oc1=O ZINC000826354881 607808165 /nfs/dbraw/zinc/80/81/65/607808165.db2.gz ZJDKAVCNAAKSDZ-UHFFFAOYSA-N -1 3 398.426 3.591 20 0 GHADHM Cn1c2cccc(NCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2oc1=O ZINC000826354881 607808166 /nfs/dbraw/zinc/80/81/66/607808166.db2.gz ZJDKAVCNAAKSDZ-UHFFFAOYSA-N -1 3 398.426 3.591 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826337785 607830065 /nfs/dbraw/zinc/83/00/65/607830065.db2.gz AZAAVKVSSWGXRA-QMMMGPOBSA-N -1 3 394.357 3.623 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826337785 607830066 /nfs/dbraw/zinc/83/00/66/607830066.db2.gz AZAAVKVSSWGXRA-QMMMGPOBSA-N -1 3 394.357 3.623 20 0 GHADHM CCCN(C[C@H]1CCCCO1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825314123 607833942 /nfs/dbraw/zinc/83/39/42/607833942.db2.gz XRNUJVPDHNQIAF-GFCCVEGCSA-N -1 3 398.294 3.595 20 0 GHADHM CCCN(C[C@H]1CCCCO1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825314123 607833943 /nfs/dbraw/zinc/83/39/43/607833943.db2.gz XRNUJVPDHNQIAF-GFCCVEGCSA-N -1 3 398.294 3.595 20 0 GHADHM CN(Cc1ccccc1F)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825980718 607834206 /nfs/dbraw/zinc/83/42/06/607834206.db2.gz HRRYKYIOUZEZTC-UHFFFAOYSA-N -1 3 380.210 3.585 20 0 GHADHM CN(Cc1ccccc1F)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825980718 607834207 /nfs/dbraw/zinc/83/42/07/607834207.db2.gz HRRYKYIOUZEZTC-UHFFFAOYSA-N -1 3 380.210 3.585 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000824477634 607843674 /nfs/dbraw/zinc/84/36/74/607843674.db2.gz BFBAKMCOAZWFHC-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000824477634 607843675 /nfs/dbraw/zinc/84/36/75/607843675.db2.gz BFBAKMCOAZWFHC-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1cncc(Br)c1 ZINC000826350829 607843942 /nfs/dbraw/zinc/84/39/42/607843942.db2.gz NFPOELIDZDZYDJ-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1cncc(Br)c1 ZINC000826350829 607843943 /nfs/dbraw/zinc/84/39/43/607843943.db2.gz NFPOELIDZDZYDJ-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM CC(C)Oc1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)n1 ZINC000824334475 607861091 /nfs/dbraw/zinc/86/10/91/607861091.db2.gz VGXSROBTJFCJHC-UHFFFAOYSA-N -1 3 398.492 3.632 20 0 GHADHM CC(C)Oc1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)n1 ZINC000824334475 607861092 /nfs/dbraw/zinc/86/10/92/607861092.db2.gz VGXSROBTJFCJHC-UHFFFAOYSA-N -1 3 398.492 3.632 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCCO1 ZINC000824851990 607885849 /nfs/dbraw/zinc/88/58/49/607885849.db2.gz HGLBOLLMRMRBBQ-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCCO1 ZINC000824851990 607885850 /nfs/dbraw/zinc/88/58/50/607885850.db2.gz HGLBOLLMRMRBBQ-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650264 607902740 /nfs/dbraw/zinc/90/27/40/607902740.db2.gz QIWIBCWWYRKGNC-GFVXYOJSSA-N -1 3 395.410 3.796 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650264 607902741 /nfs/dbraw/zinc/90/27/41/607902741.db2.gz QIWIBCWWYRKGNC-GFVXYOJSSA-N -1 3 395.410 3.796 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826284744 607947297 /nfs/dbraw/zinc/94/72/97/607947297.db2.gz DCBKKKGUTOMXEJ-YDBWALOYSA-N -1 3 390.443 3.652 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)cc1 ZINC000826284744 607947298 /nfs/dbraw/zinc/94/72/98/607947298.db2.gz DCBKKKGUTOMXEJ-YDBWALOYSA-N -1 3 390.443 3.652 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826283668 607948794 /nfs/dbraw/zinc/94/87/94/607948794.db2.gz XDGMPMJIJJYESM-OAHLLOKOSA-N -1 3 391.475 3.655 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826283668 607948795 /nfs/dbraw/zinc/94/87/95/607948795.db2.gz XDGMPMJIJJYESM-OAHLLOKOSA-N -1 3 391.475 3.655 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403955 607951996 /nfs/dbraw/zinc/95/19/96/607951996.db2.gz JONGJNYKUKPZSK-UHFFFAOYSA-N -1 3 395.466 3.978 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403955 607951997 /nfs/dbraw/zinc/95/19/97/607951997.db2.gz JONGJNYKUKPZSK-UHFFFAOYSA-N -1 3 395.466 3.978 20 0 GHADHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc2ccccc2c1 ZINC000824058863 607953611 /nfs/dbraw/zinc/95/36/11/607953611.db2.gz GCNMPYMEEFYAET-UHFFFAOYSA-N -1 3 383.455 3.887 20 0 GHADHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc2ccccc2c1 ZINC000824058863 607953612 /nfs/dbraw/zinc/95/36/12/607953612.db2.gz GCNMPYMEEFYAET-UHFFFAOYSA-N -1 3 383.455 3.887 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826242474 607961791 /nfs/dbraw/zinc/96/17/91/607961791.db2.gz QHWWATLBCYFNPK-UHFFFAOYSA-N -1 3 390.491 3.836 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826242474 607961792 /nfs/dbraw/zinc/96/17/92/607961792.db2.gz QHWWATLBCYFNPK-UHFFFAOYSA-N -1 3 390.491 3.836 20 0 GHADHM CCN(C(=O)c1cc(C2CCCCC2)n[nH]1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379223 607978340 /nfs/dbraw/zinc/97/83/40/607978340.db2.gz CWRNJJLRLLJCLQ-CQSZACIVSA-N -1 3 393.495 3.861 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826278616 607980833 /nfs/dbraw/zinc/98/08/33/607980833.db2.gz LRADEQQVAUATNE-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826278616 607980834 /nfs/dbraw/zinc/98/08/34/607980834.db2.gz LRADEQQVAUATNE-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM C[C@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824611918 607986419 /nfs/dbraw/zinc/98/64/19/607986419.db2.gz FVJWPTJTDUCNRP-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826273717 608004162 /nfs/dbraw/zinc/00/41/62/608004162.db2.gz QSZRVOUFXIPIJN-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826273717 608004163 /nfs/dbraw/zinc/00/41/63/608004163.db2.gz QSZRVOUFXIPIJN-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM COc1ccccc1[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC000826218972 608017140 /nfs/dbraw/zinc/01/71/40/608017140.db2.gz PPNITTLKOIEDEY-SFHVURJKSA-N -1 3 394.385 3.750 20 0 GHADHM COc1ccccc1[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000826218972 608017141 /nfs/dbraw/zinc/01/71/41/608017141.db2.gz PPNITTLKOIEDEY-SFHVURJKSA-N -1 3 394.385 3.750 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000826276886 608027400 /nfs/dbraw/zinc/02/74/00/608027400.db2.gz BLBNVSAAAHGHJQ-UHFFFAOYSA-N -1 3 383.402 3.904 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000826276886 608027401 /nfs/dbraw/zinc/02/74/01/608027401.db2.gz BLBNVSAAAHGHJQ-UHFFFAOYSA-N -1 3 383.402 3.904 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C1CC1 ZINC000825081087 608029379 /nfs/dbraw/zinc/02/93/79/608029379.db2.gz FUYYGVCTPZIGRJ-JTQLQIEISA-N -1 3 385.859 3.817 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C1CC1 ZINC000825081087 608029380 /nfs/dbraw/zinc/02/93/80/608029380.db2.gz FUYYGVCTPZIGRJ-JTQLQIEISA-N -1 3 385.859 3.817 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC[C@H]1CCc1ccccc1 ZINC000826469034 608032331 /nfs/dbraw/zinc/03/23/31/608032331.db2.gz RPKWSUWURCINIF-INIZCTEOSA-N -1 3 397.429 3.772 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC[C@H]1CCc1ccccc1 ZINC000826469034 608032332 /nfs/dbraw/zinc/03/23/32/608032332.db2.gz RPKWSUWURCINIF-INIZCTEOSA-N -1 3 397.429 3.772 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280161 608053892 /nfs/dbraw/zinc/05/38/92/608053892.db2.gz FHCIXBJVIQIIIR-MRXNPFEDSA-N -1 3 377.492 3.827 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280161 608053893 /nfs/dbraw/zinc/05/38/93/608053893.db2.gz FHCIXBJVIQIIIR-MRXNPFEDSA-N -1 3 377.492 3.827 20 0 GHADHM Clc1cccc2c1CC[C@H]2N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353368 608070752 /nfs/dbraw/zinc/07/07/52/608070752.db2.gz MNNRTUIFNOIEGR-MOPGFXCFSA-N -1 3 381.867 3.581 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000826473330 608072266 /nfs/dbraw/zinc/07/22/66/608072266.db2.gz TTWALCBOPXSCOG-XJKSGUPXSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000826473330 608072267 /nfs/dbraw/zinc/07/22/67/608072267.db2.gz TTWALCBOPXSCOG-XJKSGUPXSA-N -1 3 395.850 3.937 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824864530 608119388 /nfs/dbraw/zinc/11/93/88/608119388.db2.gz BPXDQBISQAFXLF-KBPBESRZSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824864530 608119389 /nfs/dbraw/zinc/11/93/89/608119389.db2.gz BPXDQBISQAFXLF-KBPBESRZSA-N -1 3 391.431 3.603 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826408728 608128912 /nfs/dbraw/zinc/12/89/12/608128912.db2.gz SAYGPDOSVWFNMV-MRXNPFEDSA-N -1 3 384.823 3.520 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826408728 608128913 /nfs/dbraw/zinc/12/89/13/608128913.db2.gz SAYGPDOSVWFNMV-MRXNPFEDSA-N -1 3 384.823 3.520 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264094 608131381 /nfs/dbraw/zinc/13/13/81/608131381.db2.gz BSIUVSNCECDHHM-KRWDZBQOSA-N -1 3 393.516 3.592 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264094 608131382 /nfs/dbraw/zinc/13/13/82/608131382.db2.gz BSIUVSNCECDHHM-KRWDZBQOSA-N -1 3 393.516 3.592 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)no1 ZINC000824343150 608153638 /nfs/dbraw/zinc/15/36/38/608153638.db2.gz ZDGWQBIEZVRACN-UHFFFAOYSA-N -1 3 380.433 3.959 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)no1 ZINC000824343150 608153639 /nfs/dbraw/zinc/15/36/39/608153639.db2.gz ZDGWQBIEZVRACN-UHFFFAOYSA-N -1 3 380.433 3.959 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000824471438 608155560 /nfs/dbraw/zinc/15/55/60/608155560.db2.gz QMCUVUFBXWALFJ-HNNXBMFYSA-N -1 3 393.491 3.507 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000824471438 608155561 /nfs/dbraw/zinc/15/55/61/608155561.db2.gz QMCUVUFBXWALFJ-HNNXBMFYSA-N -1 3 393.491 3.507 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826306824 608206299 /nfs/dbraw/zinc/20/62/99/608206299.db2.gz MMJZAIOTYMNALR-UHFFFAOYSA-N -1 3 387.896 3.579 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826306824 608206300 /nfs/dbraw/zinc/20/63/00/608206300.db2.gz MMJZAIOTYMNALR-UHFFFAOYSA-N -1 3 387.896 3.579 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000826278422 608221730 /nfs/dbraw/zinc/22/17/30/608221730.db2.gz BIQPTIKXMLNXGP-UHFFFAOYSA-N -1 3 378.436 3.534 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000826278422 608221731 /nfs/dbraw/zinc/22/17/31/608221731.db2.gz BIQPTIKXMLNXGP-UHFFFAOYSA-N -1 3 378.436 3.534 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(F)(F)c1ccccc1F ZINC000825313436 608228499 /nfs/dbraw/zinc/22/84/99/608228499.db2.gz FTOWBGHUXINNSK-UHFFFAOYSA-N -1 3 389.381 3.536 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(F)(F)c1ccccc1F ZINC000825313436 608228502 /nfs/dbraw/zinc/22/85/02/608228502.db2.gz FTOWBGHUXINNSK-UHFFFAOYSA-N -1 3 389.381 3.536 20 0 GHADHM CC(C)(C)OC(=O)CCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824099868 608229284 /nfs/dbraw/zinc/22/92/84/608229284.db2.gz KOXBQOZGNDMHPC-UHFFFAOYSA-N -1 3 382.468 3.729 20 0 GHADHM CC(C)(C)OC(=O)CCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824099868 608229285 /nfs/dbraw/zinc/22/92/85/608229285.db2.gz KOXBQOZGNDMHPC-UHFFFAOYSA-N -1 3 382.468 3.729 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826189648 608239430 /nfs/dbraw/zinc/23/94/30/608239430.db2.gz AMTVFLGGZXYTHZ-ZUOKHONESA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826189648 608239432 /nfs/dbraw/zinc/23/94/32/608239432.db2.gz AMTVFLGGZXYTHZ-ZUOKHONESA-N -1 3 390.447 3.612 20 0 GHADHM OC[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000826508050 608240252 /nfs/dbraw/zinc/24/02/52/608240252.db2.gz CBPXTPMSGAQMQD-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000826508050 608240253 /nfs/dbraw/zinc/24/02/53/608240253.db2.gz CBPXTPMSGAQMQD-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826400839 608265287 /nfs/dbraw/zinc/26/52/87/608265287.db2.gz JMVCRJLVPASYDU-VURMDHGXSA-N -1 3 390.472 3.940 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826400839 608265288 /nfs/dbraw/zinc/26/52/88/608265288.db2.gz JMVCRJLVPASYDU-VURMDHGXSA-N -1 3 390.472 3.940 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824925797 608266252 /nfs/dbraw/zinc/26/62/52/608266252.db2.gz HEMVSRKZYMEOJN-VQIMIIECSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824925797 608266254 /nfs/dbraw/zinc/26/62/54/608266254.db2.gz HEMVSRKZYMEOJN-VQIMIIECSA-N -1 3 385.512 3.639 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1c(F)ccc(C)c1F ZINC000825609329 608266923 /nfs/dbraw/zinc/26/69/23/608266923.db2.gz JXSJBRCMTIAGQA-UHFFFAOYSA-N -1 3 394.765 3.725 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1c(F)ccc(C)c1F ZINC000825609329 608266925 /nfs/dbraw/zinc/26/69/25/608266925.db2.gz JXSJBRCMTIAGQA-UHFFFAOYSA-N -1 3 394.765 3.725 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000825322337 608291026 /nfs/dbraw/zinc/29/10/26/608291026.db2.gz ATSVAFQTCBYMDZ-AWEZNQCLSA-N -1 3 376.464 3.729 20 0 GHADHM CCCN1C(=O)CCc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000825322337 608291028 /nfs/dbraw/zinc/29/10/28/608291028.db2.gz ATSVAFQTCBYMDZ-AWEZNQCLSA-N -1 3 376.464 3.729 20 0 GHADHM Cc1cc(C)c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000826263062 608293229 /nfs/dbraw/zinc/29/32/29/608293229.db2.gz JSGBPJMYEARVSG-UHFFFAOYSA-N -1 3 375.476 3.526 20 0 GHADHM Cc1cc(C)c(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000826263062 608293231 /nfs/dbraw/zinc/29/32/31/608293231.db2.gz JSGBPJMYEARVSG-UHFFFAOYSA-N -1 3 375.476 3.526 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826352750 608296338 /nfs/dbraw/zinc/29/63/38/608296338.db2.gz MRIMSJNPHNRLBQ-ZIAGYGMSSA-N -1 3 398.898 3.711 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826352750 608296340 /nfs/dbraw/zinc/29/63/40/608296340.db2.gz MRIMSJNPHNRLBQ-ZIAGYGMSSA-N -1 3 398.898 3.711 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1Cl ZINC000826441024 608304198 /nfs/dbraw/zinc/30/41/98/608304198.db2.gz KMVAZCHGKPFYHE-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1Cl ZINC000826441024 608304199 /nfs/dbraw/zinc/30/41/99/608304199.db2.gz KMVAZCHGKPFYHE-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824047126 608308372 /nfs/dbraw/zinc/30/83/72/608308372.db2.gz XVGLGTNQKVWNAL-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824047126 608308374 /nfs/dbraw/zinc/30/83/74/608308374.db2.gz XVGLGTNQKVWNAL-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN(Cc2cccs2)C2CC2)c1-c1nnn[n-]1 ZINC000826332342 608309345 /nfs/dbraw/zinc/30/93/45/608309345.db2.gz QXQZPHNCJZEIFA-UHFFFAOYSA-N -1 3 391.504 3.587 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824448185 608314421 /nfs/dbraw/zinc/31/44/21/608314421.db2.gz GRULDRWEKPEPOL-MRXNPFEDSA-N -1 3 392.507 3.763 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824448185 608314423 /nfs/dbraw/zinc/31/44/23/608314423.db2.gz GRULDRWEKPEPOL-MRXNPFEDSA-N -1 3 392.507 3.763 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H](C)[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826332187 608314704 /nfs/dbraw/zinc/31/47/04/608314704.db2.gz MEMPCCFDDMBJEY-VFNWGFHPSA-N -1 3 385.475 3.554 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000826170443 608320431 /nfs/dbraw/zinc/32/04/31/608320431.db2.gz ZYTKWCVVBMPKAS-NRFANRHFSA-N -1 3 389.434 3.894 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000826170443 608320432 /nfs/dbraw/zinc/32/04/32/608320432.db2.gz ZYTKWCVVBMPKAS-NRFANRHFSA-N -1 3 389.434 3.894 20 0 GHADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368052 608343686 /nfs/dbraw/zinc/34/36/86/608343686.db2.gz ZUPRVWVSJYBMNK-JTQLQIEISA-N -1 3 388.859 3.672 20 0 GHADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368052 608343688 /nfs/dbraw/zinc/34/36/88/608343688.db2.gz ZUPRVWVSJYBMNK-JTQLQIEISA-N -1 3 388.859 3.672 20 0 GHADHM CCOc1ccc(CCC(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825638276 608344375 /nfs/dbraw/zinc/34/43/75/608344375.db2.gz IUIGACOWCMTEJW-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCOc1ccc(CCC(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825638276 608344377 /nfs/dbraw/zinc/34/43/77/608344377.db2.gz IUIGACOWCMTEJW-UHFFFAOYSA-N -1 3 399.882 3.905 20 0 GHADHM CCN(C(=O)c1cccc(F)c1Cl)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385460 608345258 /nfs/dbraw/zinc/34/52/58/608345258.db2.gz GVNWCRSFNDXDNO-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1cccc(F)c1Cl)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385460 608345259 /nfs/dbraw/zinc/34/52/59/608345259.db2.gz GVNWCRSFNDXDNO-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825061330 608356634 /nfs/dbraw/zinc/35/66/34/608356634.db2.gz WZVJVNZBMBAYFM-OAHLLOKOSA-N -1 3 378.480 3.721 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825061330 608356635 /nfs/dbraw/zinc/35/66/35/608356635.db2.gz WZVJVNZBMBAYFM-OAHLLOKOSA-N -1 3 378.480 3.721 20 0 GHADHM Cc1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc2n[nH]cc21 ZINC000826270862 608384145 /nfs/dbraw/zinc/38/41/45/608384145.db2.gz RMJZWFFREDRUPO-UHFFFAOYSA-N -1 3 388.218 3.611 20 0 GHADHM Cc1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc2n[nH]cc21 ZINC000826270862 608384147 /nfs/dbraw/zinc/38/41/47/608384147.db2.gz RMJZWFFREDRUPO-UHFFFAOYSA-N -1 3 388.218 3.611 20 0 GHADHM CCc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1CC ZINC000825717845 608388451 /nfs/dbraw/zinc/38/84/51/608388451.db2.gz RHHBGAWMISDGSP-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM CCc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1CC ZINC000825717845 608388453 /nfs/dbraw/zinc/38/84/53/608388453.db2.gz RHHBGAWMISDGSP-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826282859 608395135 /nfs/dbraw/zinc/39/51/35/608395135.db2.gz DMCWAHAQPDEHFQ-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826282859 608395137 /nfs/dbraw/zinc/39/51/37/608395137.db2.gz DMCWAHAQPDEHFQ-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000824124277 608439990 /nfs/dbraw/zinc/43/99/90/608439990.db2.gz SAIAIMPOILHCAJ-UHFFFAOYSA-N -1 3 375.436 3.599 20 0 GHADHM CC(C)(C)Oc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000824124277 608439992 /nfs/dbraw/zinc/43/99/92/608439992.db2.gz SAIAIMPOILHCAJ-UHFFFAOYSA-N -1 3 375.436 3.599 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1CCC(F)(F)F ZINC000826466461 608455302 /nfs/dbraw/zinc/45/53/02/608455302.db2.gz DOUHCYBDLHQXGJ-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1CCC(F)(F)F ZINC000826466461 608455304 /nfs/dbraw/zinc/45/53/04/608455304.db2.gz DOUHCYBDLHQXGJ-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM C[C@@H](c1nnc(-c2ccccc2)o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824780012 608467505 /nfs/dbraw/zinc/46/75/05/608467505.db2.gz ZJGYKICCYHPEPI-HNNXBMFYSA-N -1 3 399.458 3.767 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826324644 608470749 /nfs/dbraw/zinc/47/07/49/608470749.db2.gz ZLQVFYPOTPREMX-UHFFFAOYSA-N -1 3 394.504 3.882 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826324644 608470750 /nfs/dbraw/zinc/47/07/50/608470750.db2.gz ZLQVFYPOTPREMX-UHFFFAOYSA-N -1 3 394.504 3.882 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000825958081 608474896 /nfs/dbraw/zinc/47/48/96/608474896.db2.gz MYTXOJNCJXRFGA-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000825958081 608474897 /nfs/dbraw/zinc/47/48/97/608474897.db2.gz MYTXOJNCJXRFGA-UHFFFAOYSA-N -1 3 385.431 3.593 20 0 GHADHM C[C@@]1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCc2ccccc21 ZINC000824778884 608481687 /nfs/dbraw/zinc/48/16/87/608481687.db2.gz QZSOCOQIWCHLRJ-XMMPIXPASA-N -1 3 399.498 3.777 20 0 GHADHM C[C@@]1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCc2ccccc21 ZINC000824778884 608481688 /nfs/dbraw/zinc/48/16/88/608481688.db2.gz QZSOCOQIWCHLRJ-XMMPIXPASA-N -1 3 399.498 3.777 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc(C)c1F ZINC000826257873 608483164 /nfs/dbraw/zinc/48/31/64/608483164.db2.gz REEUKKPZAFYICU-UHFFFAOYSA-N -1 3 377.423 3.552 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc(C)c1F ZINC000826257873 608483166 /nfs/dbraw/zinc/48/31/66/608483166.db2.gz REEUKKPZAFYICU-UHFFFAOYSA-N -1 3 377.423 3.552 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429380 608491963 /nfs/dbraw/zinc/49/19/63/608491963.db2.gz AYECVHGXBJBYEZ-CWFSZBLJSA-N -1 3 392.507 3.634 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429380 608491966 /nfs/dbraw/zinc/49/19/66/608491966.db2.gz AYECVHGXBJBYEZ-CWFSZBLJSA-N -1 3 392.507 3.634 20 0 GHADHM Fc1ccc(-c2nc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)co2)cc1F ZINC000826372573 608529457 /nfs/dbraw/zinc/52/94/57/608529457.db2.gz CWISBNQBUUAWBX-UHFFFAOYSA-N -1 3 394.385 3.579 20 0 GHADHM Fc1ccc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)co2)cc1F ZINC000826372573 608529458 /nfs/dbraw/zinc/52/94/58/608529458.db2.gz CWISBNQBUUAWBX-UHFFFAOYSA-N -1 3 394.385 3.579 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(F)cc1Cl ZINC000824634329 608535284 /nfs/dbraw/zinc/53/52/84/608535284.db2.gz VWYQISGURUYBFP-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)cc1Cl ZINC000824634329 608535285 /nfs/dbraw/zinc/53/52/85/608535285.db2.gz VWYQISGURUYBFP-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000826249934 608592813 /nfs/dbraw/zinc/59/28/13/608592813.db2.gz BUWQXEBZKKOCML-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000826249934 608592815 /nfs/dbraw/zinc/59/28/15/608592815.db2.gz BUWQXEBZKKOCML-UHFFFAOYSA-N -1 3 395.426 3.766 20 0 GHADHM CCCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825339280 608615247 /nfs/dbraw/zinc/61/52/47/608615247.db2.gz VGFAJIGEFVMLEJ-UHFFFAOYSA-N -1 3 392.463 3.852 20 0 GHADHM CCCOc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000825339280 608615250 /nfs/dbraw/zinc/61/52/50/608615250.db2.gz VGFAJIGEFVMLEJ-UHFFFAOYSA-N -1 3 392.463 3.852 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826355128 608620650 /nfs/dbraw/zinc/62/06/50/608620650.db2.gz KZKNZHXXSWYEJM-MRXNPFEDSA-N -1 3 379.493 3.542 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826355128 608620652 /nfs/dbraw/zinc/62/06/52/608620652.db2.gz KZKNZHXXSWYEJM-MRXNPFEDSA-N -1 3 379.493 3.542 20 0 GHADHM Fc1c(CN2CCC[C@H]2c2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000826370978 608645972 /nfs/dbraw/zinc/64/59/72/608645972.db2.gz NWEWBERHAQZSRU-HNNXBMFYSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1c(CN2CCC[C@H]2c2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000826370978 608645974 /nfs/dbraw/zinc/64/59/74/608645974.db2.gz NWEWBERHAQZSRU-HNNXBMFYSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1c(CSc2nnc(C3CC3)n2-c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371306 608670318 /nfs/dbraw/zinc/67/03/18/608670318.db2.gz BBAYNGOQRFXJOO-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1c(CSc2nnc(C3CC3)n2-c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371306 608670320 /nfs/dbraw/zinc/67/03/20/608670320.db2.gz BBAYNGOQRFXJOO-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1cnccc1-c1nnn[n-]1 ZINC000826369991 608791795 /nfs/dbraw/zinc/79/17/95/608791795.db2.gz YYOVDXDDKJDSMM-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1cnccc1-c1nn[n-]n1 ZINC000826369991 608791796 /nfs/dbraw/zinc/79/17/96/608791796.db2.gz YYOVDXDDKJDSMM-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(Nc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000824094024 608800388 /nfs/dbraw/zinc/80/03/88/608800388.db2.gz PFJSDBLHQOIEHQ-UHFFFAOYSA-N -1 3 394.479 3.727 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(Nc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000824094024 608800389 /nfs/dbraw/zinc/80/03/89/608800389.db2.gz PFJSDBLHQOIEHQ-UHFFFAOYSA-N -1 3 394.479 3.727 20 0 GHADHM Cc1cccc(CN(Cc2ccc(-c3nnn[n-]3)s2)Cc2cccc(C)n2)n1 ZINC000826298253 608832039 /nfs/dbraw/zinc/83/20/39/608832039.db2.gz KRZOFVYJLWOINC-UHFFFAOYSA-N -1 3 391.504 3.537 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826185675 609156932 /nfs/dbraw/zinc/15/69/32/609156932.db2.gz QRMDEFBTXIOWMH-FPISAVPCSA-N -1 3 390.447 3.585 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826185675 609156933 /nfs/dbraw/zinc/15/69/33/609156933.db2.gz QRMDEFBTXIOWMH-FPISAVPCSA-N -1 3 390.447 3.585 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825074851 609162588 /nfs/dbraw/zinc/16/25/88/609162588.db2.gz KHBZIFMOIWBIRO-HUUCEWRRSA-N -1 3 394.479 3.662 20 0 GHADHM CC[C@@H](C)Oc1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825074851 609162590 /nfs/dbraw/zinc/16/25/90/609162590.db2.gz KHBZIFMOIWBIRO-HUUCEWRRSA-N -1 3 394.479 3.662 20 0 GHADHM Cc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826257562 609163364 /nfs/dbraw/zinc/16/33/64/609163364.db2.gz HHYICLIYGJETNW-OAHLLOKOSA-N -1 3 393.495 3.645 20 0 GHADHM Cc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826257562 609163366 /nfs/dbraw/zinc/16/33/66/609163366.db2.gz HHYICLIYGJETNW-OAHLLOKOSA-N -1 3 393.495 3.645 20 0 GHADHM CCc1ncc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)s1 ZINC000825750764 609165548 /nfs/dbraw/zinc/16/55/48/609165548.db2.gz WWMZAJALSDVYEC-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1ncc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)s1 ZINC000825750764 609165549 /nfs/dbraw/zinc/16/55/49/609165549.db2.gz WWMZAJALSDVYEC-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM COc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCC(F)(F)F ZINC000826210474 609174177 /nfs/dbraw/zinc/17/41/77/609174177.db2.gz SVUQTJXTIWIKGB-LLVKDONJSA-N -1 3 393.369 3.990 20 0 GHADHM COc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCC(F)(F)F ZINC000826210474 609174178 /nfs/dbraw/zinc/17/41/78/609174178.db2.gz SVUQTJXTIWIKGB-LLVKDONJSA-N -1 3 393.369 3.990 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)s1 ZINC000825693762 609175466 /nfs/dbraw/zinc/17/54/66/609175466.db2.gz DJADOCZPYRPIGA-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)s1 ZINC000825693762 609175468 /nfs/dbraw/zinc/17/54/68/609175468.db2.gz DJADOCZPYRPIGA-UHFFFAOYSA-N -1 3 393.476 3.545 20 0 GHADHM COc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cc1ccccc1 ZINC000826209469 609186992 /nfs/dbraw/zinc/18/69/92/609186992.db2.gz CZJKXLZIMPKLHJ-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cc1ccccc1 ZINC000826209469 609186993 /nfs/dbraw/zinc/18/69/93/609186993.db2.gz CZJKXLZIMPKLHJ-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826242825 609196470 /nfs/dbraw/zinc/19/64/70/609196470.db2.gz HVHXOWNLQSCIPH-FQEVSTJZSA-N -1 3 385.427 3.514 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826242825 609196472 /nfs/dbraw/zinc/19/64/72/609196472.db2.gz HVHXOWNLQSCIPH-FQEVSTJZSA-N -1 3 385.427 3.514 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826269606 609276763 /nfs/dbraw/zinc/27/67/63/609276763.db2.gz RDVGGWQFZKMDFX-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826269606 609276764 /nfs/dbraw/zinc/27/67/64/609276764.db2.gz RDVGGWQFZKMDFX-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM CC(C)OC(=O)NCc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309652 609278816 /nfs/dbraw/zinc/27/88/16/609278816.db2.gz UDAAQZPWYDFKNJ-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM CC(C)OC(=O)NCc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309652 609278818 /nfs/dbraw/zinc/27/88/18/609278818.db2.gz UDAAQZPWYDFKNJ-AWEZNQCLSA-N -1 3 380.452 3.674 20 0 GHADHM C[C@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658561 609279414 /nfs/dbraw/zinc/27/94/14/609279414.db2.gz YLPCYVYLGKQYAN-ZDUSSCGKSA-N -1 3 384.484 3.732 20 0 GHADHM C[C@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658561 609279416 /nfs/dbraw/zinc/27/94/16/609279416.db2.gz YLPCYVYLGKQYAN-ZDUSSCGKSA-N -1 3 384.484 3.732 20 0 GHADHM C[C@H]1COCCN1c1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825006922 609279955 /nfs/dbraw/zinc/27/99/55/609279955.db2.gz SOVATVSZVPFPCC-YCRPNKLZSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@H]1COCCN1c1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825006922 609279957 /nfs/dbraw/zinc/27/99/57/609279957.db2.gz SOVATVSZVPFPCC-YCRPNKLZSA-N -1 3 390.491 3.581 20 0 GHADHM CC(C)c1ccsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824352382 609288111 /nfs/dbraw/zinc/28/81/11/609288111.db2.gz BPWNPCAINJJLTN-UHFFFAOYSA-N -1 3 397.439 3.629 20 0 GHADHM Cc1nnc(SCc2csc(-c3ccsc3)n2)c(-c2nnn[n-]2)c1C ZINC000826337434 609308843 /nfs/dbraw/zinc/30/88/43/609308843.db2.gz NZGLDOGQHGDXDO-UHFFFAOYSA-N -1 3 387.519 3.751 20 0 GHADHM Cc1nnc(SCc2csc(-c3ccsc3)n2)c(-c2nn[n-]n2)c1C ZINC000826337434 609308844 /nfs/dbraw/zinc/30/88/44/609308844.db2.gz NZGLDOGQHGDXDO-UHFFFAOYSA-N -1 3 387.519 3.751 20 0 GHADHM Cc1ccc(CCNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000826287523 609315056 /nfs/dbraw/zinc/31/50/56/609315056.db2.gz SFIKWWJPRNHKRE-UHFFFAOYSA-N -1 3 389.415 3.533 20 0 GHADHM Cc1ccc(CCNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000826287523 609315058 /nfs/dbraw/zinc/31/50/58/609315058.db2.gz SFIKWWJPRNHKRE-UHFFFAOYSA-N -1 3 389.415 3.533 20 0 GHADHM O=C(N[C@@H]1COc2ccccc21)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826432432 609316699 /nfs/dbraw/zinc/31/66/99/609316699.db2.gz AMDHPQJONGJDCJ-QGZVFWFLSA-N -1 3 399.410 3.523 20 0 GHADHM O=C(N[C@@H]1COc2ccccc21)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826432432 609316701 /nfs/dbraw/zinc/31/67/01/609316701.db2.gz AMDHPQJONGJDCJ-QGZVFWFLSA-N -1 3 399.410 3.523 20 0 GHADHM Fc1ccc2oc(CNc3ccn(-c4cccc(F)c4-c4nnn[n-]4)n3)cc2c1 ZINC000826375809 609320122 /nfs/dbraw/zinc/32/01/22/609320122.db2.gz CLPKKIGJSBLOSP-UHFFFAOYSA-N -1 3 393.357 3.689 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824224805 609327098 /nfs/dbraw/zinc/32/70/98/609327098.db2.gz RBFJNDFBGUEBKG-OAHLLOKOSA-N -1 3 377.448 3.777 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824224805 609327100 /nfs/dbraw/zinc/32/71/00/609327100.db2.gz RBFJNDFBGUEBKG-OAHLLOKOSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H](N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539647 609331637 /nfs/dbraw/zinc/33/16/37/609331637.db2.gz PBXVMUNGGBUITP-GESALYCCSA-N -1 3 385.418 3.716 20 0 GHADHM CCc1cccnc1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825728737 609332711 /nfs/dbraw/zinc/33/27/11/609332711.db2.gz XWIGZNATUUQGRQ-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1cccnc1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825728737 609332713 /nfs/dbraw/zinc/33/27/13/609332713.db2.gz XWIGZNATUUQGRQ-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826433463 609333174 /nfs/dbraw/zinc/33/31/74/609333174.db2.gz HEEGSZQNHGKMOU-UHFFFAOYSA-N -1 3 375.432 3.579 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826433463 609333176 /nfs/dbraw/zinc/33/31/76/609333176.db2.gz HEEGSZQNHGKMOU-UHFFFAOYSA-N -1 3 375.432 3.579 20 0 GHADHM CCOc1cc(Cl)ccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825615753 609344415 /nfs/dbraw/zinc/34/44/15/609344415.db2.gz JHPMFSYXRYBFMS-NSHDSACASA-N -1 3 375.835 3.909 20 0 GHADHM CCOc1cc(Cl)ccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825615753 609344417 /nfs/dbraw/zinc/34/44/17/609344417.db2.gz JHPMFSYXRYBFMS-NSHDSACASA-N -1 3 375.835 3.909 20 0 GHADHM C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539885 609344802 /nfs/dbraw/zinc/34/48/02/609344802.db2.gz QOICAODDXUQNDQ-RBZFPXEDSA-N -1 3 392.413 3.980 20 0 GHADHM C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539885 609344804 /nfs/dbraw/zinc/34/48/04/609344804.db2.gz QOICAODDXUQNDQ-RBZFPXEDSA-N -1 3 392.413 3.980 20 0 GHADHM CC(C)Cn1ncc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1C(F)F ZINC000824284825 609348422 /nfs/dbraw/zinc/34/84/22/609348422.db2.gz NWJDQYPVKFGZJW-SNVBAGLBSA-N -1 3 379.390 3.969 20 0 GHADHM CC(C)Cn1ncc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1C(F)F ZINC000824284825 609348423 /nfs/dbraw/zinc/34/84/23/609348423.db2.gz NWJDQYPVKFGZJW-SNVBAGLBSA-N -1 3 379.390 3.969 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182431 609370772 /nfs/dbraw/zinc/37/07/72/609370772.db2.gz JAPFCSCYRDCKSK-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182431 609370776 /nfs/dbraw/zinc/37/07/76/609370776.db2.gz JAPFCSCYRDCKSK-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)s2)o1 ZINC000826273418 609383609 /nfs/dbraw/zinc/38/36/09/609383609.db2.gz CRXIWJHGNACSCX-UHFFFAOYSA-N -1 3 383.408 3.566 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)s2)o1 ZINC000826273418 609383610 /nfs/dbraw/zinc/38/36/10/609383610.db2.gz CRXIWJHGNACSCX-UHFFFAOYSA-N -1 3 383.408 3.566 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCC(C(F)F)CC1 ZINC000826474473 609391607 /nfs/dbraw/zinc/39/16/07/609391607.db2.gz RLVCFTZQBHMCAX-UHFFFAOYSA-N -1 3 399.401 3.776 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCC(C(F)F)CC1 ZINC000826474473 609391610 /nfs/dbraw/zinc/39/16/10/609391610.db2.gz RLVCFTZQBHMCAX-UHFFFAOYSA-N -1 3 399.401 3.776 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000824917880 609403174 /nfs/dbraw/zinc/40/31/74/609403174.db2.gz OOOVJJBWTRUUHF-JLTOFOAXSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000824917880 609403177 /nfs/dbraw/zinc/40/31/77/609403177.db2.gz OOOVJJBWTRUUHF-JLTOFOAXSA-N -1 3 384.484 3.698 20 0 GHADHM Fc1cc(F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000826372989 609424428 /nfs/dbraw/zinc/42/44/28/609424428.db2.gz UWZIYXLFANJDPQ-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c(Br)c1 ZINC000826372989 609424430 /nfs/dbraw/zinc/42/44/30/609424430.db2.gz UWZIYXLFANJDPQ-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Cc1nc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)s1 ZINC000826323476 609426035 /nfs/dbraw/zinc/42/60/35/609426035.db2.gz FUWDZNXYFBNXQI-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)s1 ZINC000826323476 609426037 /nfs/dbraw/zinc/42/60/37/609426037.db2.gz FUWDZNXYFBNXQI-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323114 609427793 /nfs/dbraw/zinc/42/77/93/609427793.db2.gz QURLKNXGTNSOEU-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1nc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323114 609427795 /nfs/dbraw/zinc/42/77/95/609427795.db2.gz QURLKNXGTNSOEU-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM CCc1cnccc1CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000825739493 609433290 /nfs/dbraw/zinc/43/32/90/609433290.db2.gz FAQZBZWHDDEWFB-UHFFFAOYSA-N -1 3 384.447 3.546 20 0 GHADHM CCc1cnccc1CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000825739493 609433292 /nfs/dbraw/zinc/43/32/92/609433292.db2.gz FAQZBZWHDDEWFB-UHFFFAOYSA-N -1 3 384.447 3.546 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826442012 609440076 /nfs/dbraw/zinc/44/00/76/609440076.db2.gz FYBXGBVXJCLEOZ-IBGZPJMESA-N -1 3 376.464 3.597 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826442012 609440077 /nfs/dbraw/zinc/44/00/77/609440077.db2.gz FYBXGBVXJCLEOZ-IBGZPJMESA-N -1 3 376.464 3.597 20 0 GHADHM COc1ccc(CNc2cc(OC)c(C(C)C)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826203225 609446815 /nfs/dbraw/zinc/44/68/15/609446815.db2.gz FKJYLXWCYGKNHA-UHFFFAOYSA-N -1 3 383.452 3.628 20 0 GHADHM COc1ccc(CNc2cc(OC)c(C(C)C)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826203225 609446817 /nfs/dbraw/zinc/44/68/17/609446817.db2.gz FKJYLXWCYGKNHA-UHFFFAOYSA-N -1 3 383.452 3.628 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455172 609462057 /nfs/dbraw/zinc/46/20/57/609462057.db2.gz BXUQCSYCOKXHQD-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455172 609462058 /nfs/dbraw/zinc/46/20/58/609462058.db2.gz BXUQCSYCOKXHQD-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM FC(F)Oc1ccc2c(c1)CCC[C@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826369623 609467344 /nfs/dbraw/zinc/46/73/44/609467344.db2.gz KMXNEPHOWPZSCE-CQSZACIVSA-N -1 3 397.389 3.605 20 0 GHADHM FC(F)Oc1ccc2c(c1)CCC[C@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826369623 609467345 /nfs/dbraw/zinc/46/73/45/609467345.db2.gz KMXNEPHOWPZSCE-CQSZACIVSA-N -1 3 397.389 3.605 20 0 GHADHM CC[C@H](C)Oc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC)ccc1OC ZINC000825075872 609480664 /nfs/dbraw/zinc/48/06/64/609480664.db2.gz RWFSZLAKYPUXAO-ZDUSSCGKSA-N -1 3 383.452 3.673 20 0 GHADHM CC[C@H](C)Oc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)ccc1OC ZINC000825075872 609480667 /nfs/dbraw/zinc/48/06/67/609480667.db2.gz RWFSZLAKYPUXAO-ZDUSSCGKSA-N -1 3 383.452 3.673 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826104455 609490078 /nfs/dbraw/zinc/49/00/78/609490078.db2.gz WUOHGVZUEBBSPI-OAHLLOKOSA-N -1 3 392.843 3.536 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826104455 609490079 /nfs/dbraw/zinc/49/00/79/609490079.db2.gz WUOHGVZUEBBSPI-OAHLLOKOSA-N -1 3 392.843 3.536 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cnc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000825553201 609490512 /nfs/dbraw/zinc/49/05/12/609490512.db2.gz MOJSKNFQTHPBDI-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cnc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000825553201 609490513 /nfs/dbraw/zinc/49/05/13/609490513.db2.gz MOJSKNFQTHPBDI-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2F)cc1-c1nnn[n-]1 ZINC000825553162 609490667 /nfs/dbraw/zinc/49/06/67/609490667.db2.gz KHDZPLZWKIUNFB-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2F)cc1-c1nn[n-]n1 ZINC000825553162 609490669 /nfs/dbraw/zinc/49/06/69/609490669.db2.gz KHDZPLZWKIUNFB-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCc1nnc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000825767972 609502125 /nfs/dbraw/zinc/50/21/25/609502125.db2.gz WSTOQBQRMVDWIB-UHFFFAOYSA-N -1 3 380.433 3.652 20 0 GHADHM CCc1nnc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000825767972 609502129 /nfs/dbraw/zinc/50/21/29/609502129.db2.gz WSTOQBQRMVDWIB-UHFFFAOYSA-N -1 3 380.433 3.652 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826407910 609503451 /nfs/dbraw/zinc/50/34/51/609503451.db2.gz HLROJUPPOCBCFP-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826407910 609503452 /nfs/dbraw/zinc/50/34/52/609503452.db2.gz HLROJUPPOCBCFP-UHFFFAOYSA-N -1 3 395.466 3.878 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1Cl ZINC000503062267 609505905 /nfs/dbraw/zinc/50/59/05/609505905.db2.gz RYZVJMMYHMTHIU-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1Cl ZINC000503062267 609505907 /nfs/dbraw/zinc/50/59/07/609505907.db2.gz RYZVJMMYHMTHIU-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Clc1ccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000826352630 609511407 /nfs/dbraw/zinc/51/14/07/609511407.db2.gz IHBXZPGOVWIOJR-INIZCTEOSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1ccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000826352630 609511410 /nfs/dbraw/zinc/51/14/10/609511410.db2.gz IHBXZPGOVWIOJR-INIZCTEOSA-N -1 3 385.855 3.690 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(Cl)c(OC(F)F)c1 ZINC000826184214 609512564 /nfs/dbraw/zinc/51/25/64/609512564.db2.gz OOPRJJLWBSJQAI-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(Cl)c(OC(F)F)c1 ZINC000826184214 609512565 /nfs/dbraw/zinc/51/25/65/609512565.db2.gz OOPRJJLWBSJQAI-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(OC(F)F)c2)c1-c1nnn[n-]1 ZINC000826238616 609534622 /nfs/dbraw/zinc/53/46/22/609534622.db2.gz KVGVJOBJNPSKLP-SECBINFHSA-N -1 3 380.786 3.998 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2cccc(OC(F)F)c2)c1-c1nn[n-]n1 ZINC000826238616 609534623 /nfs/dbraw/zinc/53/46/23/609534623.db2.gz KVGVJOBJNPSKLP-SECBINFHSA-N -1 3 380.786 3.998 20 0 GHADHM CN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000825834530 609536329 /nfs/dbraw/zinc/53/63/29/609536329.db2.gz XRGIDULDKVNJLM-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000825834530 609536330 /nfs/dbraw/zinc/53/63/30/609536330.db2.gz XRGIDULDKVNJLM-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825182321 609538473 /nfs/dbraw/zinc/53/84/73/609538473.db2.gz HWKBZKNAFKOKOD-RDJZCZTQSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825182321 609538474 /nfs/dbraw/zinc/53/84/74/609538474.db2.gz HWKBZKNAFKOKOD-RDJZCZTQSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@H]2CCOc3c(Cl)cccc32)c1-c1nnn[n-]1 ZINC000826239784 609539913 /nfs/dbraw/zinc/53/99/13/609539913.db2.gz QBKNVKGKYWSILF-LBPRGKRZSA-N -1 3 377.235 3.813 20 0 GHADHM Cc1c(Cl)cnc(N[C@H]2CCOc3c(Cl)cccc32)c1-c1nn[n-]n1 ZINC000826239784 609539914 /nfs/dbraw/zinc/53/99/14/609539914.db2.gz QBKNVKGKYWSILF-LBPRGKRZSA-N -1 3 377.235 3.813 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000825182912 609555327 /nfs/dbraw/zinc/55/53/27/609555327.db2.gz MLUKRBLKUUPAEC-DOTOQJQBSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000825182912 609555329 /nfs/dbraw/zinc/55/53/29/609555329.db2.gz MLUKRBLKUUPAEC-DOTOQJQBSA-N -1 3 393.447 3.803 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc(Cc2ccccc2)cs1 ZINC000826402630 609585891 /nfs/dbraw/zinc/58/58/91/609585891.db2.gz YNORDOKKKXFMLQ-KHPPLWFESA-N -1 3 388.456 3.566 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(Cc2ccccc2)cs1 ZINC000826402630 609585893 /nfs/dbraw/zinc/58/58/93/609585893.db2.gz YNORDOKKKXFMLQ-KHPPLWFESA-N -1 3 388.456 3.566 20 0 GHADHM COCC[C@@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826154411 609588425 /nfs/dbraw/zinc/58/84/25/609588425.db2.gz OWAVGJTUNXZKFF-LBPRGKRZSA-N -1 3 381.358 3.538 20 0 GHADHM COCC[C@@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826154411 609588428 /nfs/dbraw/zinc/58/84/28/609588428.db2.gz OWAVGJTUNXZKFF-LBPRGKRZSA-N -1 3 381.358 3.538 20 0 GHADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825830224 609593331 /nfs/dbraw/zinc/59/33/31/609593331.db2.gz PBBWCDIKTKRJMJ-HNNXBMFYSA-N -1 3 397.866 3.691 20 0 GHADHM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825830224 609593333 /nfs/dbraw/zinc/59/33/33/609593333.db2.gz PBBWCDIKTKRJMJ-HNNXBMFYSA-N -1 3 397.866 3.691 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826403526 609619260 /nfs/dbraw/zinc/61/92/60/609619260.db2.gz USSLZZFFLJXTRK-BQYQJAHWSA-N -1 3 397.847 3.886 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826403526 609619262 /nfs/dbraw/zinc/61/92/62/609619262.db2.gz USSLZZFFLJXTRK-BQYQJAHWSA-N -1 3 397.847 3.886 20 0 GHADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)[N-]OCCC(F)(F)F ZINC000162678262 837389728 /nfs/dbraw/zinc/38/97/28/837389728.db2.gz VDEJYLVHOZTEMP-UHFFFAOYSA-N -1 3 377.366 3.958 20 0 GHADHM Cc1cncc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000176587109 837450932 /nfs/dbraw/zinc/45/09/32/837450932.db2.gz NOVNDAQAUFPAIW-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000063442239 837457881 /nfs/dbraw/zinc/45/78/81/837457881.db2.gz KGRHTNLTCBRBKJ-UHFFFAOYSA-N -1 3 389.395 3.922 20 0 GHADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F ZINC000655659800 837554334 /nfs/dbraw/zinc/55/43/34/837554334.db2.gz ABLWJLSYOYOUGC-HNNXBMFYSA-N -1 3 377.384 3.795 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000173291929 837613926 /nfs/dbraw/zinc/61/39/26/837613926.db2.gz FMDFDMIWAGVDDR-IBGZPJMESA-N -1 3 377.444 3.946 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000032064843 837667963 /nfs/dbraw/zinc/66/79/63/837667963.db2.gz GXPWRPFPXLAXBD-CQSZACIVSA-N -1 3 378.469 3.887 20 0 GHADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000187269018 837674610 /nfs/dbraw/zinc/67/46/10/837674610.db2.gz VSJYXHNHEZGVHI-GFCCVEGCSA-N -1 3 397.866 3.878 20 0 GHADHM CO[C@@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)[C@H](C(=O)[O-])C1 ZINC000579735010 834493149 /nfs/dbraw/zinc/49/31/49/834493149.db2.gz RAMGYQKAYVRCQU-PBHICJAKSA-N -1 3 377.387 3.821 20 0 GHADHM C[S@@](=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000175279772 834541330 /nfs/dbraw/zinc/54/13/30/834541330.db2.gz COASCFJWARYQKD-HHHXNRCGSA-N -1 3 381.453 3.852 20 0 GHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177177811 837808690 /nfs/dbraw/zinc/80/86/90/837808690.db2.gz UBSIXSWCNUEMQK-MRXNPFEDSA-N -1 3 377.444 3.566 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Br)c(F)c2)cc1 ZINC000683171876 834908302 /nfs/dbraw/zinc/90/83/02/834908302.db2.gz ROHQMSHSXNEZKG-MRXNPFEDSA-N -1 3 382.229 3.902 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]2CCC[C@@H]21 ZINC000583832367 835107904 /nfs/dbraw/zinc/10/79/04/835107904.db2.gz AECHBPAIXUAKDJ-BBRMVZONSA-N -1 3 389.293 3.941 20 0 GHADHM O=S(=O)([N-]CC1=CCCC1)c1csc(-c2cccc(Br)c2)n1 ZINC001213174115 835146168 /nfs/dbraw/zinc/14/61/68/835146168.db2.gz VHCGHRJQYQYDMY-UHFFFAOYSA-N -1 3 399.335 3.961 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1cc2ccccc2o1 ZINC000429930867 844048179 /nfs/dbraw/zinc/04/81/79/844048179.db2.gz XBCONNYWRPRTQX-UHFFFAOYSA-N -1 3 399.248 3.629 20 0 GHADHM CCOc1ccc(SCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151513981 835478743 /nfs/dbraw/zinc/47/87/43/835478743.db2.gz YYHFOYMSTLYZCA-UHFFFAOYSA-N -1 3 396.306 3.962 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(N2CCCC2)c(F)c1 ZINC000151576718 835552673 /nfs/dbraw/zinc/55/26/73/835552673.db2.gz VMSDHOZCMWUDMD-UHFFFAOYSA-N -1 3 393.256 3.824 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccco1)Sc1ccc(Br)cc1 ZINC000782475570 835652338 /nfs/dbraw/zinc/65/23/38/835652338.db2.gz CHAIDIJUIXCQQF-UHFFFAOYSA-N -1 3 390.324 3.891 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC001211632240 835955606 /nfs/dbraw/zinc/95/56/06/835955606.db2.gz ISPCUPIROFAJNF-QDMKHBRRSA-N -1 3 380.535 3.682 20 0 GHADHM CCCN1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000413658284 836018651 /nfs/dbraw/zinc/01/86/51/836018651.db2.gz QRDJEERMLZLQSV-CYBMUJFWSA-N -1 3 395.484 3.866 20 0 GHADHM CC(C)NC(=O)NC1(C(=O)Nc2cc(Br)ccc2[O-])CCCCC1 ZINC000472443291 836439356 /nfs/dbraw/zinc/43/93/56/836439356.db2.gz SPZXUENQNHMZKH-UHFFFAOYSA-N -1 3 398.301 3.504 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000583480266 836662082 /nfs/dbraw/zinc/66/20/82/836662082.db2.gz DPAXEILPDPAXMZ-LSDHHAIUSA-N -1 3 377.448 3.550 20 0 GHADHM CC(C)CCc1nc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155326322 836812630 /nfs/dbraw/zinc/81/26/30/836812630.db2.gz JTRSXHGOWSIABY-VWLOTQADSA-N -1 3 393.456 3.695 20 0 GHADHM CC(C)CCc1nc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000155326428 836813365 /nfs/dbraw/zinc/81/33/65/836813365.db2.gz JTRSXHGOWSIABY-RUZDIDTESA-N -1 3 393.456 3.695 20 0 GHADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000175896264 837057278 /nfs/dbraw/zinc/05/72/78/837057278.db2.gz ZNLPEKKKWRRQJR-UHFFFAOYSA-N -1 3 377.322 3.709 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000120673720 837123044 /nfs/dbraw/zinc/12/30/44/837123044.db2.gz DBPAUDLKDFVHPH-HZPDHXFCSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000120673720 837123052 /nfs/dbraw/zinc/12/30/52/837123052.db2.gz DBPAUDLKDFVHPH-HZPDHXFCSA-N -1 3 387.365 3.552 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)[n-]1 ZINC000617873657 837158275 /nfs/dbraw/zinc/15/82/75/837158275.db2.gz HLGLXCHRKVOUKY-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c[n-]1 ZINC000617873657 837158279 /nfs/dbraw/zinc/15/82/79/837158279.db2.gz HLGLXCHRKVOUKY-UHFFFAOYSA-N -1 3 387.342 3.909 20 0 GHADHM CSCCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533622733 837167064 /nfs/dbraw/zinc/16/70/64/837167064.db2.gz MYVYLJZARZGYOD-UHFFFAOYSA-N -1 3 399.944 3.549 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000471377143 837382451 /nfs/dbraw/zinc/38/24/51/837382451.db2.gz UIYAKXBVYLPQGS-KRWDZBQOSA-N -1 3 398.525 3.523 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783056188 837898243 /nfs/dbraw/zinc/89/82/43/837898243.db2.gz NCKXJFPPHBUBMK-LBPRGKRZSA-N -1 3 388.807 3.915 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)c2ccccc2N(C)C1=O ZINC000623019449 838282799 /nfs/dbraw/zinc/28/27/99/838282799.db2.gz UHJPAOGHAJEMFW-LLVKDONJSA-N -1 3 378.350 3.670 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000892678789 838289711 /nfs/dbraw/zinc/28/97/11/838289711.db2.gz KRAGFXZUCALZPQ-GFCCVEGCSA-N -1 3 390.281 3.527 20 0 GHADHM Cc1cc(C(=O)N[N-]C(=O)c2ccccc2F)c(C)n1[C@H](C)c1ccccc1 ZINC000024551169 838358954 /nfs/dbraw/zinc/35/89/54/838358954.db2.gz HOQCSBUINQPZDK-OAHLLOKOSA-N -1 3 379.435 3.928 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2s1 ZINC000178538651 838397141 /nfs/dbraw/zinc/39/71/41/838397141.db2.gz VQIAPJRLYSHSDY-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1ccco1 ZINC000178919645 838497107 /nfs/dbraw/zinc/49/71/07/838497107.db2.gz RDNGMNDWOZMSLT-LJQANCHMSA-N -1 3 375.421 3.636 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3ccnc(-c4ccccc4)n3)n2)cc1 ZINC001125847505 838507693 /nfs/dbraw/zinc/50/76/93/838507693.db2.gz ZQZJHULTVIEHKD-UHFFFAOYSA-N -1 3 389.440 3.923 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)sc1Cl ZINC000188086951 838527702 /nfs/dbraw/zinc/52/77/02/838527702.db2.gz ZZAWKWCPBMSDKW-LLVKDONJSA-N -1 3 397.909 3.723 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000179181128 838528917 /nfs/dbraw/zinc/52/89/17/838528917.db2.gz FQVMTZLHOPQFRE-JTQLQIEISA-N -1 3 380.238 3.663 20 0 GHADHM CC(C)Oc1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1Cl ZINC000783084486 838534038 /nfs/dbraw/zinc/53/40/38/838534038.db2.gz HMNQRHUORDNCNE-UHFFFAOYSA-N -1 3 389.795 3.635 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000179485259 838540484 /nfs/dbraw/zinc/54/04/84/838540484.db2.gz UJQWNCOCELEWHA-MRXNPFEDSA-N -1 3 386.206 3.757 20 0 GHADHM O=C(Nc1ccc2cccc(Cl)c2n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181340330 838582507 /nfs/dbraw/zinc/58/25/07/838582507.db2.gz MAXYSDGNRRTBFR-INIZCTEOSA-N -1 3 395.846 3.837 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cc(Cl)ccc1Cl ZINC000548044454 838675424 /nfs/dbraw/zinc/67/54/24/838675424.db2.gz QOENQMVSFWXUCT-CYBMUJFWSA-N -1 3 376.236 3.935 20 0 GHADHM COc1ccc(-c2nc(CN3[C@H](C)[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1OC ZINC000659797789 838680306 /nfs/dbraw/zinc/68/03/06/838680306.db2.gz RLGGNCBWIADEJR-WOSRLPQWSA-N -1 3 390.505 3.901 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182243244 838694374 /nfs/dbraw/zinc/69/43/74/838694374.db2.gz DYNAGNWLSGHVGC-HNNXBMFYSA-N -1 3 396.340 3.793 20 0 GHADHM CN(Cc1ccco1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182875970 838837666 /nfs/dbraw/zinc/83/76/66/838837666.db2.gz IDVHCCSJGNLMGJ-FQEVSTJZSA-N -1 3 378.428 3.505 20 0 GHADHM O=C(NCc1ncccc1[O-])NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000471537926 838842964 /nfs/dbraw/zinc/84/29/64/838842964.db2.gz NPZYUHUDLGGOMD-QUMKFVLLSA-N -1 3 385.467 3.884 20 0 GHADHM CC(C)c1c(C(=O)N2CCCc3c(=O)[n-]cnc32)cnn1-c1ccccc1Cl ZINC000893206726 838891425 /nfs/dbraw/zinc/89/14/25/838891425.db2.gz HQWAANYSIUGIEE-UHFFFAOYSA-N -1 3 397.866 3.738 20 0 GHADHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893212490 838927370 /nfs/dbraw/zinc/92/73/70/838927370.db2.gz BXDMILKEOSFNEY-SECBINFHSA-N -1 3 384.288 3.949 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000387837735 839145860 /nfs/dbraw/zinc/14/58/60/839145860.db2.gz CMGRUYKYAGHAHD-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM CC(C)Cc1ccc([C@@H](CN=c2[n-]nc(C3CCOCC3)s2)N(C)C)cc1 ZINC000549194952 839259832 /nfs/dbraw/zinc/25/98/32/839259832.db2.gz UMANHXKOKSAWSG-LJQANCHMSA-N -1 3 388.581 3.767 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3C(C)(C)C3(F)F)s2)cs1 ZINC000660020555 839329739 /nfs/dbraw/zinc/32/97/39/839329739.db2.gz FHANHMNBETVBDJ-NSHDSACASA-N -1 3 378.491 3.750 20 0 GHADHM COc1nnc([N-]C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)s1 ZINC000683904831 839374230 /nfs/dbraw/zinc/37/42/30/839374230.db2.gz SWHRUVSQQYRWCU-UHFFFAOYSA-N -1 3 385.405 3.520 20 0 GHADHM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000580427289 839546578 /nfs/dbraw/zinc/54/65/78/839546578.db2.gz NYFWHNKXJLAKOT-UHFFFAOYSA-N -1 3 388.537 3.637 20 0 GHADHM CC(=O)Nc1ccc(Br)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000580663507 839978035 /nfs/dbraw/zinc/97/80/35/839978035.db2.gz OHQGVWUTYZAUFD-UHFFFAOYSA-N -1 3 377.304 3.585 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000055652234 840287640 /nfs/dbraw/zinc/28/76/40/840287640.db2.gz FIWXGSSOGUOEAF-UHFFFAOYSA-N -1 3 388.489 3.710 20 0 GHADHM COc1ccc(Cl)cc1-c1nc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n[nH]1 ZINC000155887319 840342190 /nfs/dbraw/zinc/34/21/90/840342190.db2.gz NEYCRQBPDXOENV-VIFPVBQESA-N -1 3 377.857 3.791 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c([O-])c1 ZINC000364474817 840439154 /nfs/dbraw/zinc/43/91/54/840439154.db2.gz DTLFWYHPHXQKLX-LJQANCHMSA-N -1 3 391.508 3.761 20 0 GHADHM CCCc1c([N-]S(=O)(=O)CCc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000432072729 840623900 /nfs/dbraw/zinc/62/39/00/840623900.db2.gz ANRIPZBYDTZPAW-UHFFFAOYSA-N -1 3 387.480 3.948 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000581115596 840738782 /nfs/dbraw/zinc/73/87/82/840738782.db2.gz HYLGKZRHYGBFFO-NVXWUHKLSA-N -1 3 387.277 3.551 20 0 GHADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000581121098 840738849 /nfs/dbraw/zinc/73/88/49/840738849.db2.gz RERGGXITEDUEFW-LJQANCHMSA-N -1 3 375.490 3.519 20 0 GHADHM C[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCC(=O)N1 ZINC000626227691 840743530 /nfs/dbraw/zinc/74/35/30/840743530.db2.gz BWYBUNGVEWWSBM-FZMZJTMJSA-N -1 3 381.457 3.522 20 0 GHADHM CC(=O)NCC(C)(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000651553717 840842099 /nfs/dbraw/zinc/84/20/99/840842099.db2.gz BEGNFJUKRFNADG-UHFFFAOYSA-N -1 3 383.473 3.770 20 0 GHADHM Cc1n[nH]c(C)c1CCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000584793579 840879480 /nfs/dbraw/zinc/87/94/80/840879480.db2.gz JNVVKWSLKGEKJL-UHFFFAOYSA-N -1 3 378.263 3.717 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000512560207 844586671 /nfs/dbraw/zinc/58/66/71/844586671.db2.gz PJVQEYFPLDLFPX-UHFFFAOYSA-N -1 3 377.379 3.750 20 0 GHADHM CCO[C@H](C(=O)Nc1cc(I)ccc1[O-])c1ccccc1 ZINC000610491151 840967503 /nfs/dbraw/zinc/96/75/03/840967503.db2.gz VERSWTGLDBCXLW-HNNXBMFYSA-N -1 3 397.212 3.713 20 0 GHADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cnc(C(F)(F)F)s1 ZINC000417569869 841006041 /nfs/dbraw/zinc/00/60/41/841006041.db2.gz VQOGCGSTPPWAKN-CYBMUJFWSA-N -1 3 390.452 3.681 20 0 GHADHM COc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Br ZINC000417623722 841063367 /nfs/dbraw/zinc/06/33/67/841063367.db2.gz PNGGTWGQERRWAU-ZBFHGGJFSA-N -1 3 376.250 3.861 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)sc1C ZINC000581332637 841094221 /nfs/dbraw/zinc/09/42/21/841094221.db2.gz SATVMHOOYKMGCV-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM COc1cccc(C[C@H](CNCc2csc(-c3ccsc3)n2)C(=O)[O-])c1 ZINC000417657669 841109663 /nfs/dbraw/zinc/10/96/63/841109663.db2.gz YTNMQCDDMNZLMU-OAHLLOKOSA-N -1 3 388.514 3.913 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000068834361 841167014 /nfs/dbraw/zinc/16/70/14/841167014.db2.gz YSFMALCKHRXVGA-APWZRJJASA-N -1 3 382.508 3.548 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647155838 841201506 /nfs/dbraw/zinc/20/15/06/841201506.db2.gz JOKMGRFKKCWMLZ-KRWDZBQOSA-N -1 3 398.488 3.579 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000510416642 841284357 /nfs/dbraw/zinc/28/43/57/841284357.db2.gz SWIHFLBNHPLUPJ-LSDHHAIUSA-N -1 3 388.411 3.925 20 0 GHADHM COC(=O)c1ccccc1-c1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)o1 ZINC000600181550 861202525 /nfs/dbraw/zinc/20/25/25/861202525.db2.gz UAWMMSHNVNOAFN-UHFFFAOYSA-N -1 3 381.432 3.562 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000500148053 841514353 /nfs/dbraw/zinc/51/43/53/841514353.db2.gz ORVJUBSFXKGXAE-XXFAHNHDSA-N -1 3 395.228 3.615 20 0 GHADHM CC1CCC(N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000045079331 841580969 /nfs/dbraw/zinc/58/09/69/841580969.db2.gz PMBJACJJVYTNMS-UHFFFAOYSA-N -1 3 393.484 3.605 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000656619882 841586513 /nfs/dbraw/zinc/58/65/13/841586513.db2.gz ZJHMHRWVNSROEI-INIZCTEOSA-N -1 3 388.917 3.635 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3cccnc32)sc1Br ZINC000317589347 841610571 /nfs/dbraw/zinc/61/05/71/841610571.db2.gz OJWQJXIJOSXZIF-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl)[C@@H]1CCOC1 ZINC000656629366 841619980 /nfs/dbraw/zinc/61/99/80/841619980.db2.gz VZZDJVUJNMPDAS-APWZRJJASA-N -1 3 395.908 3.800 20 0 GHADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCCc2ccccc2Br)C1 ZINC000581553820 841657765 /nfs/dbraw/zinc/65/77/65/841657765.db2.gz HNINNXMZWIEXKL-AWEZNQCLSA-N -1 3 380.204 3.721 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC000684349770 841836493 /nfs/dbraw/zinc/83/64/93/841836493.db2.gz BIHXSESXERUISR-UHFFFAOYSA-N -1 3 388.402 3.709 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3cc(F)ccc3Cl)cccc21 ZINC000656733395 841854425 /nfs/dbraw/zinc/85/44/25/841854425.db2.gz HYHBAOAETQSLQG-QGZVFWFLSA-N -1 3 398.887 3.806 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(F)c1Br)C1CCCC1 ZINC000656734616 841856071 /nfs/dbraw/zinc/85/60/71/841856071.db2.gz MITIFVCFUYKQGW-ZDUSSCGKSA-N -1 3 394.306 3.844 20 0 GHADHM C[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000255345646 841914730 /nfs/dbraw/zinc/91/47/30/841914730.db2.gz WPTJWRLVILDNGZ-NJPLLEPOSA-N -1 3 390.361 3.589 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1[O-] ZINC000184189716 841938376 /nfs/dbraw/zinc/93/83/76/841938376.db2.gz JXJZZNCCNSQYNV-UHFFFAOYSA-N -1 3 376.460 3.862 20 0 GHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1ccc(F)c(Cl)c1 ZINC000303329505 841985885 /nfs/dbraw/zinc/98/58/85/841985885.db2.gz JIFJFHRWJMMXTE-UHFFFAOYSA-N -1 3 381.194 3.980 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1)C1CCCCC1 ZINC000656897468 842144359 /nfs/dbraw/zinc/14/43/59/842144359.db2.gz MIGAFJNXDZAPJY-ROUUACIJSA-N -1 3 394.562 3.747 20 0 GHADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000161023875 842180514 /nfs/dbraw/zinc/18/05/14/842180514.db2.gz BRORAJKHDAWRBY-TYZQSYOASA-N -1 3 379.865 3.920 20 0 GHADHM Cc1cc(C)nc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000184249421 842238670 /nfs/dbraw/zinc/23/86/70/842238670.db2.gz KWCAGCMGNWARNL-HXUWFJFHSA-N -1 3 389.455 3.904 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C ZINC000730811279 861298658 /nfs/dbraw/zinc/29/86/58/861298658.db2.gz IMUSRONXUFOVQU-WDEREUQCSA-N -1 3 394.306 3.701 20 0 GHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1)C(F)(F)F ZINC001211677546 842373228 /nfs/dbraw/zinc/37/32/28/842373228.db2.gz JXYLAHQVWJMTDN-ABAIWWIYSA-N -1 3 393.406 3.575 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000471764862 842407748 /nfs/dbraw/zinc/40/77/48/842407748.db2.gz AJMOPVMGPRLPFV-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000471764862 842407753 /nfs/dbraw/zinc/40/77/53/842407753.db2.gz AJMOPVMGPRLPFV-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1cc2c(CN[C@H](C(=O)OC)c3ccc(F)c(C)c3)cc(=O)oc2cc1[O-] ZINC000185765579 861311291 /nfs/dbraw/zinc/31/12/91/861311291.db2.gz ROJJPGYOFKAGMW-NRFANRHFSA-N -1 3 399.418 3.512 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1[O-] ZINC000663638085 842460770 /nfs/dbraw/zinc/46/07/70/842460770.db2.gz XTQKYRJGJASQNH-HNNXBMFYSA-N -1 3 378.472 3.651 20 0 GHADHM CCCC[C@H](CC)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000050040095 842493799 /nfs/dbraw/zinc/49/37/99/842493799.db2.gz KTNDPGVYVZBUNH-AWEZNQCLSA-N -1 3 385.530 3.795 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(C(F)(F)F)cc1 ZINC000663111177 842502044 /nfs/dbraw/zinc/50/20/44/842502044.db2.gz SNCOTFXCZGKTCQ-INIZCTEOSA-N -1 3 398.425 3.626 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1ccc(Br)cc1Cl ZINC000028049357 842536548 /nfs/dbraw/zinc/53/65/48/842536548.db2.gz YULUVBZURYJMFF-LURJTMIESA-N -1 3 393.517 3.575 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000135331345 842559689 /nfs/dbraw/zinc/55/96/89/842559689.db2.gz PMGDLAXMEVJPEY-UHFFFAOYSA-N -1 3 387.501 3.782 20 0 GHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511957886 842571834 /nfs/dbraw/zinc/57/18/34/842571834.db2.gz WNEMFZQGPGNVPK-VIFPVBQESA-N -1 3 379.247 3.814 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)c(F)c1 ZINC001211521452 842584014 /nfs/dbraw/zinc/58/40/14/842584014.db2.gz OBVZOPNGRDDCCT-GFCCVEGCSA-N -1 3 391.420 3.788 20 0 GHADHM CSCc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000609469959 842737325 /nfs/dbraw/zinc/73/73/25/842737325.db2.gz WRKVOUTUWDYQRK-UHFFFAOYSA-N -1 3 399.516 3.682 20 0 GHADHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001126200916 842809043 /nfs/dbraw/zinc/80/90/43/842809043.db2.gz ABIFAFPIBITNAE-LSDHHAIUSA-N -1 3 398.544 3.849 20 0 GHADHM C[C@@H](CNC(=O)NCc1ncccc1[O-])Sc1ccc(Br)cc1 ZINC000471852055 842845076 /nfs/dbraw/zinc/84/50/76/842845076.db2.gz KGOBXJTWFLLBES-NSHDSACASA-N -1 3 396.310 3.530 20 0 GHADHM Cc1nn(-c2ccccc2Cl)cc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663263347 842949027 /nfs/dbraw/zinc/94/90/27/842949027.db2.gz YNXCVEFDDAVTNI-CYBMUJFWSA-N -1 3 389.805 3.967 20 0 GHADHM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000279354754 843022672 /nfs/dbraw/zinc/02/26/72/843022672.db2.gz DDGYGYBQSXPBAG-UHFFFAOYSA-N -1 3 397.313 3.814 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1F ZINC000471870117 843065122 /nfs/dbraw/zinc/06/51/22/843065122.db2.gz MEVSFMWMVDZNQG-GFCCVEGCSA-N -1 3 393.415 3.671 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511967747 843070013 /nfs/dbraw/zinc/07/00/13/843070013.db2.gz PGWGSBMGRZAKSP-UHFFFAOYSA-N -1 3 376.819 3.519 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3C)n2)cc1 ZINC000471881484 843215123 /nfs/dbraw/zinc/21/51/23/843215123.db2.gz SXTXTVLIZJSTIC-OAHLLOKOSA-N -1 3 385.489 3.788 20 0 GHADHM CCCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000131259030 843261428 /nfs/dbraw/zinc/26/14/28/843261428.db2.gz JLCKIGMHVOQVMF-UHFFFAOYSA-N -1 3 384.860 3.696 20 0 GHADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cnn(-c3ccccc3Cl)c2)c(C)c1 ZINC000064672937 843287456 /nfs/dbraw/zinc/28/74/56/843287456.db2.gz FSFAVCHUXFZIFY-UHFFFAOYSA-N -1 3 399.907 3.774 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]cc3-c3ccc(C)s3)nc21 ZINC000187029203 843295631 /nfs/dbraw/zinc/29/56/31/843295631.db2.gz IMSQQXVOGMEJJA-UHFFFAOYSA-N -1 3 380.429 3.967 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cn2ccnc2s1 ZINC000432616385 843303612 /nfs/dbraw/zinc/30/36/12/843303612.db2.gz LNUPDVBOYXTSKD-CYBMUJFWSA-N -1 3 381.486 3.968 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1csc(-c2ccc(Cl)s2)n1 ZINC000512312900 843363112 /nfs/dbraw/zinc/36/31/12/843363112.db2.gz KVGXZABWFLXGFZ-UHFFFAOYSA-N -1 3 387.877 3.984 20 0 GHADHM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000785342521 843368982 /nfs/dbraw/zinc/36/89/82/843368982.db2.gz INROBKFMOPZGGX-FPLPWBNLSA-N -1 3 393.827 3.619 20 0 GHADHM CCCNC(=O)Nc1ccc(CC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1 ZINC000512324920 843376256 /nfs/dbraw/zinc/37/62/56/843376256.db2.gz WCUHTALAELKBGN-UHFFFAOYSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc(-c2ncc(CN3CCN(C(=O)c4ccccc4[O-])CC3)s2)cc1 ZINC000091924894 843469148 /nfs/dbraw/zinc/46/91/48/843469148.db2.gz VRASLYDFZJCJFU-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cc(Cl)ccn1 ZINC000512346319 843477092 /nfs/dbraw/zinc/47/70/92/843477092.db2.gz GLHMCYQEBGNFJQ-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM CCOc1c(Cl)cc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1OC ZINC000437004767 843856608 /nfs/dbraw/zinc/85/66/08/843856608.db2.gz WZZRGROOBFWNMO-UHFFFAOYSA-N -1 3 390.779 3.899 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)OCc2ccccc2)[nH][n-]1 ZINC000512846417 843879284 /nfs/dbraw/zinc/87/92/84/843879284.db2.gz PAYPEJZGGKEEIA-CYBMUJFWSA-N -1 3 385.851 3.704 20 0 GHADHM CC(C)[C@@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028262274 843961646 /nfs/dbraw/zinc/96/16/46/843961646.db2.gz NHBIJMBXONHNAK-LLVKDONJSA-N -1 3 391.518 3.639 20 0 GHADHM CCCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047297932 843973583 /nfs/dbraw/zinc/97/35/83/843973583.db2.gz PEKKQQKWIFEJSI-ZDUSSCGKSA-N -1 3 381.473 3.653 20 0 GHADHM O=C(NCCCc1cccs1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000535829746 844697008 /nfs/dbraw/zinc/69/70/08/844697008.db2.gz ZEXOWJQFHUBCBS-UHFFFAOYSA-N -1 3 391.290 3.715 20 0 GHADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161996559 861492519 /nfs/dbraw/zinc/49/25/19/861492519.db2.gz AYBKYMQDYSYMPN-VIFPVBQESA-N -1 3 378.288 3.559 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000429998920 845099960 /nfs/dbraw/zinc/09/99/60/845099960.db2.gz GSFCEXWLHWULSO-HUUCEWRRSA-N -1 3 387.482 3.522 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000645094021 845120836 /nfs/dbraw/zinc/12/08/36/845120836.db2.gz VREXMJKSHCZHKB-CYBMUJFWSA-N -1 3 387.408 3.582 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1cccnc1 ZINC000433632544 845133227 /nfs/dbraw/zinc/13/32/27/845133227.db2.gz BRYBJYCMNSWPDV-ZETCQYMHSA-N -1 3 381.704 3.599 20 0 GHADHM COC(=O)c1[n-]c(=NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)sc1C ZINC000433773082 845314432 /nfs/dbraw/zinc/31/44/32/845314432.db2.gz GMEODKLEYMUFDL-UHFFFAOYSA-N -1 3 399.447 3.664 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)CC(C)C)cc1Cl ZINC000433760795 845317940 /nfs/dbraw/zinc/31/79/40/845317940.db2.gz XQYYXYJFFZFTIB-UHFFFAOYSA-N -1 3 378.897 3.788 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)n1 ZINC000154055653 845965504 /nfs/dbraw/zinc/96/55/04/845965504.db2.gz JGMBLTMWAMBLJI-UHFFFAOYSA-N -1 3 377.491 3.541 20 0 GHADHM CC(C)(C)c1nc(CN[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cs1 ZINC000277397773 845968772 /nfs/dbraw/zinc/96/87/72/845968772.db2.gz RSTHZBBHSKZPMB-INIZCTEOSA-N -1 3 375.469 3.847 20 0 GHADHM C[C@@H](S[C@H]1CCCCNC1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000105623724 846024133 /nfs/dbraw/zinc/02/41/33/846024133.db2.gz ARIIVTBHKHVUDB-MFKMUULPSA-N -1 3 389.502 3.708 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(SC)c(OC)c2)cc1OC ZINC000277420240 846083316 /nfs/dbraw/zinc/08/33/16/846083316.db2.gz SXHMABLOIVLCEI-HNNXBMFYSA-N -1 3 391.489 3.740 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc(OC)c1OC ZINC000277447611 846178759 /nfs/dbraw/zinc/17/87/59/846178759.db2.gz UXZCFBAPQKMGKV-QGZVFWFLSA-N -1 3 379.840 3.590 20 0 GHADHM CC1(C)CCCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678483 846481778 /nfs/dbraw/zinc/48/17/78/846481778.db2.gz ARKPEDYVKZXLFS-SECBINFHSA-N -1 3 382.224 3.785 20 0 GHADHM CC1(C)CCC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1 ZINC000421682161 846484885 /nfs/dbraw/zinc/48/48/85/846484885.db2.gz LKHBOPSTFAGPST-VIFPVBQESA-N -1 3 382.224 3.785 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000179650836 861684636 /nfs/dbraw/zinc/68/46/36/861684636.db2.gz CCSLTVXVJZPGQA-UHFFFAOYSA-N -1 3 397.855 3.910 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655791 861688255 /nfs/dbraw/zinc/68/82/55/861688255.db2.gz VBEBUOLTVFFJKY-SECBINFHSA-N -1 3 397.656 3.565 20 0 GHADHM CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1 ZINC000548701010 846570359 /nfs/dbraw/zinc/57/03/59/846570359.db2.gz BCAYOTLBTNKRHU-UHFFFAOYSA-N -1 3 381.444 3.565 20 0 GHADHM CN(C[C@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000563278456 846603336 /nfs/dbraw/zinc/60/33/36/846603336.db2.gz KCSBPJFSIIKUOO-YVEFUNNKSA-N -1 3 382.243 3.891 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000501148803 846673573 /nfs/dbraw/zinc/67/35/73/846673573.db2.gz ZLMZDVLERMSGRK-VHSXEESVSA-N -1 3 376.400 3.781 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000501617672 847060286 /nfs/dbraw/zinc/06/02/86/847060286.db2.gz HTPGWENOKOXBKG-GHMZBOCLSA-N -1 3 390.361 3.511 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[n-]1 ZINC000431399003 847110427 /nfs/dbraw/zinc/11/04/27/847110427.db2.gz HLFZVJJRIFSJAD-UHFFFAOYSA-N -1 3 387.779 3.552 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1nc(C)ccc1[O-] ZINC000501737598 847143254 /nfs/dbraw/zinc/14/32/54/847143254.db2.gz XWZGEDLSTGIFQJ-OAQYLSRUSA-N -1 3 392.503 3.531 20 0 GHADHM COc1cc(OC)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1Cl ZINC000414453824 847174934 /nfs/dbraw/zinc/17/49/34/847174934.db2.gz POOXZKAOLXFJGU-HNNXBMFYSA-N -1 3 391.823 3.642 20 0 GHADHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2CCC1=O ZINC000179768287 861765231 /nfs/dbraw/zinc/76/52/31/861765231.db2.gz CLMMOSZZAKDXEL-UHFFFAOYSA-N -1 3 384.501 3.665 20 0 GHADHM CC(C)OCCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000273054101 847239869 /nfs/dbraw/zinc/23/98/69/847239869.db2.gz IADUKLYTPQXEEA-OAQYLSRUSA-N -1 3 398.503 3.575 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600364524 861769771 /nfs/dbraw/zinc/76/97/71/861769771.db2.gz VONMCIQJHQTNAS-ZBFHGGJFSA-N -1 3 379.472 3.680 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000501853677 847259382 /nfs/dbraw/zinc/25/93/82/847259382.db2.gz CSQLQOAWCWNGRW-UHFFFAOYSA-N -1 3 393.505 3.748 20 0 GHADHM C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccc(Cl)cc1 ZINC000179782354 861774156 /nfs/dbraw/zinc/77/41/56/861774156.db2.gz ZOPKSJRWWNJHNQ-LBPRGKRZSA-N -1 3 394.880 3.559 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(F)(F)F ZINC000420704876 847385050 /nfs/dbraw/zinc/38/50/50/847385050.db2.gz XGXWYQRXDHOPGA-QMMMGPOBSA-N -1 3 379.322 3.684 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640311868 847387612 /nfs/dbraw/zinc/38/76/12/847387612.db2.gz SQGFOJGFUNASIU-OAHLLOKOSA-N -1 3 377.286 3.590 20 0 GHADHM COc1ccc(CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000563394108 847609663 /nfs/dbraw/zinc/60/96/63/847609663.db2.gz CAGULIIYNGFOHL-AWEZNQCLSA-N -1 3 387.451 3.918 20 0 GHADHM O=c1cc(CSc2ncnc3c2cnn3Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000582592713 847719177 /nfs/dbraw/zinc/71/91/77/847719177.db2.gz KCYJQNZJNDXXHP-UHFFFAOYSA-N -1 3 390.472 3.540 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(Br)c1 ZINC000513790033 847755705 /nfs/dbraw/zinc/75/57/05/847755705.db2.gz RCCDVGYIGWBJBF-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1sc(NC(=O)c2cc(F)cc3n[n-]nc32)nc1-c1c[nH]c2ncccc12 ZINC000503512753 847761369 /nfs/dbraw/zinc/76/13/69/847761369.db2.gz IXCXZDDZLMXDFE-UHFFFAOYSA-N -1 3 393.407 3.658 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc(F)c1Br ZINC000421236485 847868851 /nfs/dbraw/zinc/86/88/51/847868851.db2.gz AEASIKOZQFCWEN-LLVKDONJSA-N -1 3 382.295 3.699 20 0 GHADHM CC[C@@H](CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC000899800683 861838879 /nfs/dbraw/zinc/83/88/79/861838879.db2.gz YSUANALVSLOCCA-VXKWHMMOSA-N -1 3 394.515 3.506 20 0 GHADHM CC[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Br)OC ZINC000421248319 847906898 /nfs/dbraw/zinc/90/68/98/847906898.db2.gz KTZJTXFPHCXMHX-SECBINFHSA-N -1 3 390.221 3.635 20 0 GHADHM O=C([N-]c1nc(C2CCC2)cs1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000277776396 847960136 /nfs/dbraw/zinc/96/01/36/847960136.db2.gz TXOIOKUXQXQCID-UHFFFAOYSA-N -1 3 397.547 3.509 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c1C ZINC000116712217 848036790 /nfs/dbraw/zinc/03/67/90/848036790.db2.gz RKHFDGBDWXXOAI-DEOSSOPVSA-N -1 3 379.547 3.908 20 0 GHADHM CCN(CCOc1ccccc1OC)C(=O)c1cc([O-])cc(Br)c1 ZINC000628152142 848306226 /nfs/dbraw/zinc/30/62/26/848306226.db2.gz NYSQENDZEDLISD-UHFFFAOYSA-N -1 3 394.265 3.704 20 0 GHADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCCC4)cc3)cc21 ZINC000731782827 861891151 /nfs/dbraw/zinc/89/11/51/861891151.db2.gz NBWHQKGPHDTDKI-UHFFFAOYSA-N -1 3 386.473 3.538 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cncc([O-])c2)c(C)n1CCc1cccs1 ZINC000731916117 861956813 /nfs/dbraw/zinc/95/68/13/861956813.db2.gz QQLOGHDQSMWWNV-UHFFFAOYSA-N -1 3 384.457 3.549 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2C[C@H]2c2sccc2C)cc1OC ZINC000162284946 848887313 /nfs/dbraw/zinc/88/73/13/848887313.db2.gz HMLMGHFQZSFDDR-KGLIPLIRSA-N -1 3 394.518 3.569 20 0 GHADHM COc1ccc(CNc2nnc(Sc3nc4ccccc4c(=O)[n-]3)s2)cc1 ZINC000731920558 861959870 /nfs/dbraw/zinc/95/98/70/861959870.db2.gz PYXUOHOWFSQHHX-UHFFFAOYSA-N -1 3 397.485 3.959 20 0 GHADHM COC(=O)c1ccc(Oc2nc3ccccc3c(=O)[n-]2)c(Br)c1 ZINC000731921850 861961432 /nfs/dbraw/zinc/96/14/32/861961432.db2.gz SIPORWCQGSVHRZ-UHFFFAOYSA-N -1 3 375.178 3.677 20 0 GHADHM O=C1[N-]C(=O)C(=Cc2nc(-c3cccc(Br)c3)c[nH]2)c2ccccc21 ZINC000731939387 861978409 /nfs/dbraw/zinc/97/84/09/861978409.db2.gz WUTHZMFXJVQDPU-OQLLNIDSSA-N -1 3 394.228 3.650 20 0 GHADHM CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000192484549 861989151 /nfs/dbraw/zinc/98/91/51/861989151.db2.gz OALVYULDQMVHHN-INIZCTEOSA-N -1 3 376.859 3.921 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1Cl ZINC000161596685 849370059 /nfs/dbraw/zinc/37/00/59/849370059.db2.gz KGUWWBACMFTBBZ-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM O=C(COC(=O)c1c[nH]cc1-c1ccc(Cl)s1)[N-]C(=O)c1cccs1 ZINC000052229561 849506401 /nfs/dbraw/zinc/50/64/01/849506401.db2.gz MVXKSDWWGTXMPH-UHFFFAOYSA-N -1 3 394.861 3.572 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C(F)F)cc1 ZINC000583402547 849809183 /nfs/dbraw/zinc/80/91/83/849809183.db2.gz KIEJURXIQPTDCP-INIZCTEOSA-N -1 3 383.416 3.983 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc(-c4ccccc4)cs3)nc21 ZINC000513805248 849856905 /nfs/dbraw/zinc/85/69/05/849856905.db2.gz NNGFSKQNFYKLAC-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000908419483 850092621 /nfs/dbraw/zinc/09/26/21/850092621.db2.gz OLOZFOKJZYEVPO-CZUORRHYSA-N -1 3 386.414 3.602 20 0 GHADHM O=C([O-])c1cnn(C2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000514677421 850127454 /nfs/dbraw/zinc/12/74/54/850127454.db2.gz DXVRGJBJUXWWSB-UHFFFAOYSA-N -1 3 384.263 3.604 20 0 GHADHM O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CCc2nc[n-]c(=O)c2C1 ZINC000486844365 850155107 /nfs/dbraw/zinc/15/51/07/850155107.db2.gz MRFXKTOJUMQSSZ-UHFFFAOYSA-N -1 3 389.333 3.660 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(OC)c(C)c1OC ZINC000424071601 850186762 /nfs/dbraw/zinc/18/67/62/850186762.db2.gz VCPSCFMNFDYZOP-UHFFFAOYSA-N -1 3 399.896 3.659 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)OC)cc2)cc1 ZINC000518842516 850231086 /nfs/dbraw/zinc/23/10/86/850231086.db2.gz LTTVVLSHMGHCBI-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(=O)[n-]1 ZINC000514766026 850263146 /nfs/dbraw/zinc/26/31/46/850263146.db2.gz LHRFBRPYZYDJHT-UHFFFAOYSA-N -1 3 387.443 3.685 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000908739550 850313687 /nfs/dbraw/zinc/31/36/87/850313687.db2.gz FPQDPTUJNMSSMC-HIFRSBDPSA-N -1 3 398.425 3.554 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1[O-] ZINC000514805029 850313643 /nfs/dbraw/zinc/31/36/43/850313643.db2.gz JDIXEIPNEVWVGN-UHFFFAOYSA-N -1 3 383.379 3.745 20 0 GHADHM C[C@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000424251768 850314286 /nfs/dbraw/zinc/31/42/86/850314286.db2.gz CTYFDWSNZSBGPG-JSGCOSHPSA-N -1 3 387.307 3.890 20 0 GHADHM CC1CCC(Oc2cc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)ccn2)CC1 ZINC000505669993 850378597 /nfs/dbraw/zinc/37/85/97/850378597.db2.gz QHPQOVCGQVULHK-UHFFFAOYSA-N -1 3 391.471 3.811 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504982529 850488104 /nfs/dbraw/zinc/48/81/04/850488104.db2.gz GYASKRSEMSCQKC-UHFFFAOYSA-N -1 3 375.734 3.703 20 0 GHADHM Cc1ccccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000504974002 850495079 /nfs/dbraw/zinc/49/50/79/850495079.db2.gz DEMNEOJCKJLGKH-UHFFFAOYSA-N -1 3 375.425 3.538 20 0 GHADHM CCCCn1cc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(C)n1 ZINC000435439667 850527199 /nfs/dbraw/zinc/52/71/99/850527199.db2.gz WCZCHEZVMFRKKU-UHFFFAOYSA-N -1 3 394.299 3.916 20 0 GHADHM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000909224174 850645950 /nfs/dbraw/zinc/64/59/50/850645950.db2.gz GYOXWDQQMJLSNI-SFHVURJKSA-N -1 3 376.522 3.740 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000487311910 850682768 /nfs/dbraw/zinc/68/27/68/850682768.db2.gz FIONXEMQVYPVEW-UHFFFAOYSA-N -1 3 390.244 3.574 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(C)C)cc1Cl ZINC000519147370 850693895 /nfs/dbraw/zinc/69/38/95/850693895.db2.gz JTORQKDLTROOGF-NSHDSACASA-N -1 3 378.897 3.931 20 0 GHADHM C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909825948 850793956 /nfs/dbraw/zinc/79/39/56/850793956.db2.gz YLEAYCVJFRGQIX-XMSQKQJNSA-N -1 3 394.515 3.734 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)ccc2O1 ZINC000505309979 850821034 /nfs/dbraw/zinc/82/10/34/850821034.db2.gz CKHDXMDZQWETLY-CQSZACIVSA-N -1 3 382.441 3.998 20 0 GHADHM C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909991684 850935248 /nfs/dbraw/zinc/93/52/48/850935248.db2.gz GPIUOZLPLREXSH-HYBUGGRVSA-N -1 3 394.515 3.560 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2cccc(C)c2)c(C)o1 ZINC000434267111 850950806 /nfs/dbraw/zinc/95/08/06/850950806.db2.gz QLOFZDAEPJJJOY-SFHVURJKSA-N -1 3 390.505 3.562 20 0 GHADHM CC1(C)CCC[C@](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])C1 ZINC000910217684 851057188 /nfs/dbraw/zinc/05/71/88/851057188.db2.gz FDOJQGHUVOGBKJ-VGOFRKELSA-N -1 3 390.499 3.578 20 0 GHADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000910243266 851083810 /nfs/dbraw/zinc/08/38/10/851083810.db2.gz XSVJPXUBOSXRIA-NVXWUHKLSA-N -1 3 398.425 3.556 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2)s1 ZINC000443924028 862203609 /nfs/dbraw/zinc/20/36/09/862203609.db2.gz DUAGLAXQCZHQJM-VIFPVBQESA-N -1 3 375.313 3.508 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000488024956 851088858 /nfs/dbraw/zinc/08/88/58/851088858.db2.gz QUZJKINVOSTFEB-GFCCVEGCSA-N -1 3 398.265 3.916 20 0 GHADHM O=C([O-])[C@@H](CNCc1cc(Cl)ccc1OC(F)F)Oc1ccc(F)cc1 ZINC000426646694 851124337 /nfs/dbraw/zinc/12/43/37/851124337.db2.gz MPMSRSAOCZSUTM-OAHLLOKOSA-N -1 3 389.757 3.702 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)s1 ZINC000519511709 851166606 /nfs/dbraw/zinc/16/66/06/851166606.db2.gz XSSSTDCLOXQOFY-UHFFFAOYSA-N -1 3 384.461 3.870 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CC3(C)C)c2)cc1 ZINC000488123666 851171031 /nfs/dbraw/zinc/17/10/31/851171031.db2.gz XSGXBCBKVSGTBC-MRXNPFEDSA-N -1 3 386.517 3.880 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440419084 851208085 /nfs/dbraw/zinc/20/80/85/851208085.db2.gz VJBRBZNZRUVGBB-UHFFFAOYSA-N -1 3 391.443 3.554 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)[n-]1 ZINC000550049223 851304943 /nfs/dbraw/zinc/30/49/43/851304943.db2.gz NIHQWALDABXXOO-UHFFFAOYSA-N -1 3 388.474 3.673 20 0 GHADHM CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2ncccc2[O-])cc1 ZINC000473631764 851312135 /nfs/dbraw/zinc/31/21/35/851312135.db2.gz ZGUUXVSVNJYTOA-UHFFFAOYSA-N -1 3 382.489 3.505 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110525370 851317797 /nfs/dbraw/zinc/31/77/97/851317797.db2.gz QMNOZABQIPGWTC-UHFFFAOYSA-N -1 3 388.345 3.942 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000910960672 851482868 /nfs/dbraw/zinc/48/28/68/851482868.db2.gz DQEIAIJLCNDELV-GOSISDBHSA-N -1 3 384.451 3.937 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000443950809 862260965 /nfs/dbraw/zinc/26/09/65/862260965.db2.gz RXLZZLLPNZGCCY-INIZCTEOSA-N -1 3 386.249 3.596 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccc(-n2cccn2)c1 ZINC000555948614 862261871 /nfs/dbraw/zinc/26/18/71/862261871.db2.gz HVINKPPZUBEKFE-LLVKDONJSA-N -1 3 397.834 3.843 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000101524315 851621640 /nfs/dbraw/zinc/62/16/40/851621640.db2.gz LWIXAMZFVYKLSA-AWEZNQCLSA-N -1 3 377.444 3.599 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1sc2ccc(F)cc2c1C ZINC000911280643 851660862 /nfs/dbraw/zinc/66/08/62/851660862.db2.gz ATFGZTZRVNSOGS-HNNXBMFYSA-N -1 3 392.496 3.750 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1sc2ccccc2c1Cl ZINC000911280155 851660921 /nfs/dbraw/zinc/66/09/21/851660921.db2.gz OWNKOGKXPLLZHB-ZDUSSCGKSA-N -1 3 394.924 3.956 20 0 GHADHM COc1ccc(Cl)cc1NCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488687752 851695230 /nfs/dbraw/zinc/69/52/30/851695230.db2.gz REDCOMPMUABWBN-UHFFFAOYSA-N -1 3 399.672 3.545 20 0 GHADHM O=C([O-])c1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc2[nH]ccc21 ZINC000911386175 851706682 /nfs/dbraw/zinc/70/66/82/851706682.db2.gz BESINOZOPWBJSS-HNNXBMFYSA-N -1 3 395.434 3.856 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccc(F)cc1)c1cc(F)ccc1Cl ZINC000488855753 851829466 /nfs/dbraw/zinc/82/94/66/851829466.db2.gz PXGKYONPWKYPSA-UHFFFAOYSA-N -1 3 375.824 3.756 20 0 GHADHM NC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1ccccc1Cl ZINC001127044078 851833612 /nfs/dbraw/zinc/83/36/12/851833612.db2.gz DEZAMOKNIQHJJT-CQSZACIVSA-N -1 3 387.213 3.818 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000911854615 851935069 /nfs/dbraw/zinc/93/50/69/851935069.db2.gz MOVUTOCSDLLWHH-UHFFFAOYSA-N -1 3 377.897 3.643 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nc(-c2cccnc2)no1 ZINC000727994643 862301403 /nfs/dbraw/zinc/30/14/03/862301403.db2.gz LJQAPLZHIKFZKE-HNNXBMFYSA-N -1 3 390.365 3.876 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000111994911 852015427 /nfs/dbraw/zinc/01/54/27/852015427.db2.gz QJFDSSHZDJRJDG-HNNXBMFYSA-N -1 3 392.546 3.603 20 0 GHADHM COc1ccc(I)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436546621 852032441 /nfs/dbraw/zinc/03/24/41/852032441.db2.gz VEJULTKKIKYYBQ-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM COC(=O)[C@H](C)CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436548267 852035914 /nfs/dbraw/zinc/03/59/14/852035914.db2.gz ZXCCVCLIFSXIMM-MRXNPFEDSA-N -1 3 381.472 3.591 20 0 GHADHM Cc1noc(COc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2)n1 ZINC000436551001 852037788 /nfs/dbraw/zinc/03/77/88/852037788.db2.gz VRDXSIOGCJOUQH-UHFFFAOYSA-N -1 3 379.416 3.794 20 0 GHADHM COCCOc1ccc(F)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436568986 852070664 /nfs/dbraw/zinc/07/06/64/852070664.db2.gz YLDUSJDDHFIYOY-UHFFFAOYSA-N -1 3 375.396 3.522 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@](O)(C(F)(F)F)C1 ZINC000436572778 852075789 /nfs/dbraw/zinc/07/57/89/852075789.db2.gz GLVWJTFKHFPHEV-LJQANCHMSA-N -1 3 379.378 3.512 20 0 GHADHM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436573814 852076814 /nfs/dbraw/zinc/07/68/14/852076814.db2.gz IKFPWVGRUPSMEI-UHFFFAOYSA-N -1 3 382.460 3.624 20 0 GHADHM CC1(C(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000625548402 862319972 /nfs/dbraw/zinc/31/99/72/862319972.db2.gz CSEAVOFZTYIHJO-UHFFFAOYSA-N -1 3 394.718 3.530 20 0 GHADHM Cn1c(=O)oc2c1cccc2NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436605031 852104130 /nfs/dbraw/zinc/10/41/30/852104130.db2.gz PHBSCRXQCQZQDZ-UHFFFAOYSA-N -1 3 390.395 3.668 20 0 GHADHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000517586402 852137190 /nfs/dbraw/zinc/13/71/90/852137190.db2.gz FNNNOMIUMIJIDB-JTQLQIEISA-N -1 3 385.744 3.800 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436623284 852137926 /nfs/dbraw/zinc/13/79/26/852137926.db2.gz GEHIZGJGTNBWHS-APWZRJJASA-N -1 3 398.528 3.684 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436653664 852143996 /nfs/dbraw/zinc/14/39/96/852143996.db2.gz BZXRBFNGBYNEJX-GOSISDBHSA-N -1 3 394.515 3.772 20 0 GHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000436644959 852152784 /nfs/dbraw/zinc/15/27/84/852152784.db2.gz AAQIBVDHMVZUGV-ZDUSSCGKSA-N -1 3 394.402 3.980 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c([O-])c1 ZINC000436666459 852164332 /nfs/dbraw/zinc/16/43/32/852164332.db2.gz QFRIHAWKZIWEMM-INIZCTEOSA-N -1 3 394.393 3.630 20 0 GHADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1OC(F)F ZINC000436740122 852257323 /nfs/dbraw/zinc/25/73/23/852257323.db2.gz XYBVSLVZVXKMGE-CYBMUJFWSA-N -1 3 381.375 3.892 20 0 GHADHM CC(C)c1cccc(O[C@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c1 ZINC000912469522 852292726 /nfs/dbraw/zinc/29/27/26/852292726.db2.gz MTIVZRLVWPBXMU-CTNGQTDRSA-N -1 3 393.487 3.558 20 0 GHADHM CCOc1cccc(CN[C@@H](CSCc2cccc3cccnc32)C(=O)[O-])n1 ZINC000426736680 852334371 /nfs/dbraw/zinc/33/43/71/852334371.db2.gz KBSPQKVWIDLCMB-SFHVURJKSA-N -1 3 397.500 3.505 20 0 GHADHM C[C@H](NC(=O)c1ccccc1O)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000436789540 852344955 /nfs/dbraw/zinc/34/49/55/852344955.db2.gz DPTSODZZHXZHFM-AWEZNQCLSA-N -1 3 376.412 3.841 20 0 GHADHM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436798880 852355716 /nfs/dbraw/zinc/35/57/16/852355716.db2.gz NEKTZHQEWMXVSA-PMACEKPBSA-N -1 3 394.515 3.796 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000436805889 852365144 /nfs/dbraw/zinc/36/51/44/852365144.db2.gz GJASHQRXYFSAQW-SBUREZEXSA-N -1 3 383.488 3.698 20 0 GHADHM COCCN(Cc1cncs1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436805852 852365305 /nfs/dbraw/zinc/36/53/05/852365305.db2.gz DVZUABYJVPLGSM-UHFFFAOYSA-N -1 3 384.457 3.930 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(Cl)cc3c2OCC3)cc1 ZINC000426762077 852369444 /nfs/dbraw/zinc/36/94/44/852369444.db2.gz HBZPIGDYFMZZQF-GOSISDBHSA-N -1 3 375.852 3.979 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436832351 852383717 /nfs/dbraw/zinc/38/37/17/852383717.db2.gz ZXEWFNXBRGSBFZ-UTKZUKDTSA-N -1 3 380.488 3.507 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1[O-] ZINC000436856104 852400700 /nfs/dbraw/zinc/40/07/00/852400700.db2.gz RIODPXIJMDVIRJ-UHFFFAOYSA-N -1 3 392.249 3.508 20 0 GHADHM C[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)Cc1cccc(F)c1 ZINC000436842838 852407789 /nfs/dbraw/zinc/40/77/89/852407789.db2.gz XRZWCXDGJICKOH-INIZCTEOSA-N -1 3 398.478 3.521 20 0 GHADHM C[C@H]1CCc2nc(CN[C@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])sc2C1 ZINC000426827908 852441036 /nfs/dbraw/zinc/44/10/36/852441036.db2.gz XOFPNZSVFLBWLU-XHDPSFHLSA-N -1 3 396.459 3.655 20 0 GHADHM COc1cccc(C2(c3noc(-c4cc(OC)c([O-])c(OC)c4)n3)CCC2)c1 ZINC000436888360 852462540 /nfs/dbraw/zinc/46/25/40/852462540.db2.gz UDFJHKWCYRPLKT-UHFFFAOYSA-N -1 3 382.416 3.938 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436892166 852464931 /nfs/dbraw/zinc/46/49/31/852464931.db2.gz IDFPFQXGBGZYPJ-ZMZPIMSZSA-N -1 3 376.840 3.510 20 0 GHADHM COCCOc1ccc(Br)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436892646 852466628 /nfs/dbraw/zinc/46/66/28/852466628.db2.gz LCSNMBOZEWJJFE-UHFFFAOYSA-N -1 3 380.238 3.741 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnn2ncccc12 ZINC000436903834 852468822 /nfs/dbraw/zinc/46/88/22/852468822.db2.gz VDMDEEJLFOXYHF-UHFFFAOYSA-N -1 3 387.424 3.964 20 0 GHADHM CSCCCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489622482 852472224 /nfs/dbraw/zinc/47/22/24/852472224.db2.gz LOPWULLKGNGNBL-UHFFFAOYSA-N -1 3 375.409 3.536 20 0 GHADHM CCCN(CC1CC1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436915110 852492861 /nfs/dbraw/zinc/49/28/61/852492861.db2.gz OWUZMPMPNDJIBB-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM CCc1cccc(CC)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436916933 852495680 /nfs/dbraw/zinc/49/56/80/852495680.db2.gz BRGJEYXGMQANJB-UHFFFAOYSA-N -1 3 395.503 3.943 20 0 GHADHM COCCOc1ccc(Cl)cc1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436941744 852523569 /nfs/dbraw/zinc/52/35/69/852523569.db2.gz SBFSXDSCTPWHJO-UHFFFAOYSA-N -1 3 376.796 3.796 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(Br)cc3OC)no2)c1[O-] ZINC000436942440 852525470 /nfs/dbraw/zinc/52/54/70/852525470.db2.gz HDTCWYPYZLQSJW-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(-c3nccs3)c2)c([O-])c1 ZINC000436946618 852529032 /nfs/dbraw/zinc/52/90/32/852529032.db2.gz DCCSLYMHIPCUQJ-UHFFFAOYSA-N -1 3 381.457 3.583 20 0 GHADHM CC[C@H]1[C@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436955301 852544343 /nfs/dbraw/zinc/54/43/43/852544343.db2.gz DGURMVXBDXZERP-CJNGLKHVSA-N -1 3 387.505 3.599 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4c(c3O)CCCC4)cc2)n1 ZINC000436954830 852545351 /nfs/dbraw/zinc/54/53/51/852545351.db2.gz XXMJOXRLAPEXTF-UHFFFAOYSA-N -1 3 375.428 3.582 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983001 852571210 /nfs/dbraw/zinc/57/12/10/852571210.db2.gz WGVKCFLANJKOJV-DZGCQCFKSA-N -1 3 387.505 3.741 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H](C)[C@H]3C)cs2)c1 ZINC000436989767 852579537 /nfs/dbraw/zinc/57/95/37/852579537.db2.gz PEVAOVRLDFGMAF-UONOGXRCSA-N -1 3 387.505 3.599 20 0 GHADHM CC(C)c1ccc(C(=O)NCCCCn2cc(Br)cn2)c([O-])c1 ZINC000436992188 852581189 /nfs/dbraw/zinc/58/11/89/852581189.db2.gz VNEIELLAYTUGJF-UHFFFAOYSA-N -1 3 380.286 3.685 20 0 GHADHM CCCCOc1ccc(C(=O)NC2CCN(c3cccc(C)n3)CC2)c([O-])c1 ZINC000436992963 852582213 /nfs/dbraw/zinc/58/22/13/852582213.db2.gz ZITVMBIEEVOIOI-UHFFFAOYSA-N -1 3 383.492 3.673 20 0 GHADHM CCCCOc1ccc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000436986806 852596089 /nfs/dbraw/zinc/59/60/89/852596089.db2.gz SHWSNUYBDPXSEA-UHFFFAOYSA-N -1 3 396.487 3.624 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)cc1[O-] ZINC000437004214 852599191 /nfs/dbraw/zinc/59/91/91/852599191.db2.gz UYGLUKBJOGKEQD-UHFFFAOYSA-N -1 3 376.806 3.581 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)[n-]1 ZINC000489958933 852673177 /nfs/dbraw/zinc/67/31/77/852673177.db2.gz SCANVMYSJPBDQX-UHFFFAOYSA-N -1 3 394.427 3.950 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000427083270 852699337 /nfs/dbraw/zinc/69/93/37/852699337.db2.gz ZIEAPLPPEIMPPK-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000427083270 852699342 /nfs/dbraw/zinc/69/93/42/852699342.db2.gz ZIEAPLPPEIMPPK-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000427115491 852744868 /nfs/dbraw/zinc/74/48/68/852744868.db2.gz SGANADMWPKPCRU-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000506332895 852761315 /nfs/dbraw/zinc/76/13/15/852761315.db2.gz CBUNEWVSADGJAH-CQSZACIVSA-N -1 3 378.831 3.938 20 0 GHADHM CC1(C)CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000427126769 852764409 /nfs/dbraw/zinc/76/44/09/852764409.db2.gz AXRSZAGJJRHMJA-GOSISDBHSA-N -1 3 390.480 3.935 20 0 GHADHM COc1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cc(OC)c1[O-] ZINC000490174359 852805002 /nfs/dbraw/zinc/80/50/02/852805002.db2.gz ODGFDPWJFBBHKL-HSZRJFAPSA-N -1 3 381.472 3.920 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000437283766 852952655 /nfs/dbraw/zinc/95/26/55/852952655.db2.gz IMYUVQZBWHCMJZ-XJKSGUPXSA-N -1 3 379.243 3.943 20 0 GHADHM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cc(F)c(Br)cc1F ZINC000912992908 852974242 /nfs/dbraw/zinc/97/42/42/852974242.db2.gz ODGDDASIJZGQJO-SSDOTTSWSA-N -1 3 398.207 3.591 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473860051 853001703 /nfs/dbraw/zinc/00/17/03/853001703.db2.gz WSOPZQPVMFTZAS-LJQANCHMSA-N -1 3 378.432 3.688 20 0 GHADHM CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1 ZINC000490455263 853018099 /nfs/dbraw/zinc/01/80/99/853018099.db2.gz UQTNMFGFZQPYBG-OAHLLOKOSA-N -1 3 397.500 3.748 20 0 GHADHM CC(C)(C)c1nc(CN2CCN(Cc3c(F)ccc([O-])c3F)CC2)cs1 ZINC000507552792 853020062 /nfs/dbraw/zinc/02/00/62/853020062.db2.gz QJKJFYBKISVDJK-UHFFFAOYSA-N -1 3 381.492 3.742 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1COCc1ccccc1)C1CC1 ZINC000518184426 853050506 /nfs/dbraw/zinc/05/05/06/853050506.db2.gz AMPYVMIPPDSBMW-FQEVSTJZSA-N -1 3 375.490 3.570 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1cccc(C)c1 ZINC000516899863 853141374 /nfs/dbraw/zinc/14/13/74/853141374.db2.gz ZVGZCEOLTHWNFU-UHFFFAOYSA-N -1 3 375.519 3.789 20 0 GHADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670443911 862432364 /nfs/dbraw/zinc/43/23/64/862432364.db2.gz UWWKBWVTGMZOAL-OAHLLOKOSA-N -1 3 388.895 3.526 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(C)n1Cc1ccco1 ZINC000913299313 853210112 /nfs/dbraw/zinc/21/01/12/853210112.db2.gz ZWRNHRCXUDQFOY-UHFFFAOYSA-N -1 3 393.399 3.769 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(C)n1Cc1ccco1 ZINC000913299313 853210119 /nfs/dbraw/zinc/21/01/19/853210119.db2.gz ZWRNHRCXUDQFOY-UHFFFAOYSA-N -1 3 393.399 3.769 20 0 GHADHM CCC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000518327626 853212408 /nfs/dbraw/zinc/21/24/08/853212408.db2.gz PWUSCKWSZKMVGA-QGZVFWFLSA-N -1 3 390.505 3.979 20 0 GHADHM CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913295092 853219434 /nfs/dbraw/zinc/21/94/34/853219434.db2.gz AZCSPYFSIOAIOS-UHFFFAOYSA-N -1 3 395.415 3.694 20 0 GHADHM CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913295092 853219441 /nfs/dbraw/zinc/21/94/41/853219441.db2.gz AZCSPYFSIOAIOS-UHFFFAOYSA-N -1 3 395.415 3.694 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3cccc(F)c3F)CCCC2)c1 ZINC000427538580 853220149 /nfs/dbraw/zinc/22/01/49/853220149.db2.gz CJKOPBVMQAVQFY-UHFFFAOYSA-N -1 3 388.414 3.871 20 0 GHADHM CCSCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000439061716 853230032 /nfs/dbraw/zinc/23/00/32/853230032.db2.gz UZKMTFAXGWPBEI-GOSISDBHSA-N -1 3 384.501 3.889 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)cc3F)nc21 ZINC000157789013 862452125 /nfs/dbraw/zinc/45/21/25/862452125.db2.gz XNAVHMZMNNHNJQ-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000163521221 862454281 /nfs/dbraw/zinc/45/42/81/862454281.db2.gz UUWDCNADJBJTJI-UHFFFAOYSA-N -1 3 381.436 3.621 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000518456829 853368187 /nfs/dbraw/zinc/36/81/87/853368187.db2.gz BGUATVYGHWMZBH-AWEZNQCLSA-N -1 3 396.260 3.688 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000732747664 862467286 /nfs/dbraw/zinc/46/72/86/862467286.db2.gz UBLWGWRVKZHLLD-BAILOTOSSA-N -1 3 382.435 3.520 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2nccs2)CC1 ZINC000586747811 853519088 /nfs/dbraw/zinc/51/90/88/853519088.db2.gz ZCTJRMKRINABJH-UHFFFAOYSA-N -1 3 393.512 3.596 20 0 GHADHM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cccc3c(Br)cccc23)C1 ZINC000519828797 853519113 /nfs/dbraw/zinc/51/91/13/853519113.db2.gz QPXQYFHLMRLSSQ-ZIAGYGMSSA-N -1 3 378.266 3.666 20 0 GHADHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2cccc3c(Br)cccc23)C1 ZINC000519828792 853519689 /nfs/dbraw/zinc/51/96/89/853519689.db2.gz QPXQYFHLMRLSSQ-KGLIPLIRSA-N -1 3 378.266 3.666 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1F ZINC000519847393 853541193 /nfs/dbraw/zinc/54/11/93/853541193.db2.gz FULAORYLHMXORF-RBUKOAKNSA-N -1 3 379.453 3.617 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1 ZINC000579075805 853545788 /nfs/dbraw/zinc/54/57/88/853545788.db2.gz LZEJMRCGBOYESJ-INIZCTEOSA-N -1 3 388.489 3.586 20 0 GHADHM COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000518628077 853582134 /nfs/dbraw/zinc/58/21/34/853582134.db2.gz CUHSTRMOSFNNJG-LJQANCHMSA-N -1 3 377.440 3.840 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000440795334 853633974 /nfs/dbraw/zinc/63/39/74/853633974.db2.gz INLOGLFSLFPAEA-UHFFFAOYSA-N -1 3 399.397 3.825 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c(F)c1 ZINC000571028981 853694403 /nfs/dbraw/zinc/69/44/03/853694403.db2.gz WYORGYBSEQYDSV-UHFFFAOYSA-N -1 3 377.771 3.902 20 0 GHADHM CC[C@H](NC(=O)CO[N-]C(=O)CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000732804379 862503517 /nfs/dbraw/zinc/50/35/17/862503517.db2.gz IPEYWBHGJHYULH-IBGZPJMESA-N -1 3 388.895 3.978 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCOc2ccc(C(C)C)c(C)c2)cc1OC ZINC000732806382 862504290 /nfs/dbraw/zinc/50/42/90/862504290.db2.gz GQBSEYOSZFXSGG-UHFFFAOYSA-N -1 3 387.476 3.805 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c(F)cc1Br ZINC000416437350 853851633 /nfs/dbraw/zinc/85/16/33/853851633.db2.gz GXBCSLUREBZSQG-INIZCTEOSA-N -1 3 399.285 3.721 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccco1 ZINC000520134577 853886500 /nfs/dbraw/zinc/88/65/00/853886500.db2.gz FGYBUDQNPGVXQB-CYBMUJFWSA-N -1 3 391.320 3.948 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)c(C)c1 ZINC000055579528 854013536 /nfs/dbraw/zinc/01/35/36/854013536.db2.gz UTKGCQPSCRLPHZ-UHFFFAOYSA-N -1 3 394.880 3.585 20 0 GHADHM O=C([N-]c1cc(N2CCCC2=O)ccc1F)c1cc(-c2cccc(F)c2)no1 ZINC000055810578 854112615 /nfs/dbraw/zinc/11/26/15/854112615.db2.gz FKWPVNQWVBWZPR-UHFFFAOYSA-N -1 3 383.354 3.999 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCCC2)ccc1F ZINC000056034844 854300434 /nfs/dbraw/zinc/30/04/34/854300434.db2.gz DTTDFUAHSGNPGE-QGZVFWFLSA-N -1 3 396.528 3.697 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCNc3ccccc3)cc2)cc(=O)[n-]1 ZINC000588770524 854411437 /nfs/dbraw/zinc/41/14/37/854411437.db2.gz JMMCWGKDUJMAFZ-UHFFFAOYSA-N -1 3 377.448 3.781 20 0 GHADHM CCc1cncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000572285646 854474389 /nfs/dbraw/zinc/47/43/89/854474389.db2.gz YJXUORGPFVWZPW-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000068121596 854552402 /nfs/dbraw/zinc/55/24/02/854552402.db2.gz FDNFFVQFUNLJGG-LJQANCHMSA-N -1 3 392.455 3.649 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCSCc3ccccc3F)nc2)n1 ZINC000068660631 854605950 /nfs/dbraw/zinc/60/59/50/854605950.db2.gz GSFYPNRSTVWGDO-UHFFFAOYSA-N -1 3 384.480 3.879 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)sc2C)n1 ZINC000124979423 854682303 /nfs/dbraw/zinc/68/23/03/854682303.db2.gz OCHHPETYLMEJSJ-SSDOTTSWSA-N -1 3 381.342 3.623 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)c(C)c1 ZINC000536302961 854685459 /nfs/dbraw/zinc/68/54/59/854685459.db2.gz UWBYHBCSDCDSEE-UHFFFAOYSA-N -1 3 385.489 3.877 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2CC)c([O-])c1 ZINC000536336106 854922797 /nfs/dbraw/zinc/92/27/97/854922797.db2.gz YPJDNZZMGGAVAC-UHFFFAOYSA-N -1 3 379.416 3.569 20 0 GHADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000589695191 855111603 /nfs/dbraw/zinc/11/16/03/855111603.db2.gz GWMKETBGAMOWKL-INIZCTEOSA-N -1 3 390.439 3.792 20 0 GHADHM CC(C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000616203321 855119299 /nfs/dbraw/zinc/11/92/99/855119299.db2.gz TZUVWKOYUNOIIP-INIZCTEOSA-N -1 3 394.393 3.711 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1F)c1cc(Br)ccc1Cl ZINC000589887301 855175928 /nfs/dbraw/zinc/17/59/28/855175928.db2.gz LDADQUPDQMDZEO-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189740001 855188493 /nfs/dbraw/zinc/18/84/93/855188493.db2.gz MSMVMTJMPODQPT-UHFFFAOYSA-N -1 3 382.688 3.973 20 0 GHADHM Cc1cccc(Oc2ccccc2CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000106665006 855277852 /nfs/dbraw/zinc/27/78/52/855277852.db2.gz WKMHETQIMGJSDC-UHFFFAOYSA-N -1 3 391.471 3.736 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000055652318 855370378 /nfs/dbraw/zinc/37/03/78/855370378.db2.gz FJQIBFDYHHKNEH-UHFFFAOYSA-N -1 3 382.869 3.888 20 0 GHADHM Cc1cc(F)ccc1CN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482081444 862677950 /nfs/dbraw/zinc/67/79/50/862677950.db2.gz VYBCEZPDWULUBH-UHFFFAOYSA-N -1 3 391.244 3.630 20 0 GHADHM O=C(CCS(=O)(=O)c1cccc([O-])c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000542690521 855444318 /nfs/dbraw/zinc/44/43/18/855444318.db2.gz IWRDIUODGVHWAJ-UHFFFAOYSA-N -1 3 397.452 3.987 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000107546333 855472943 /nfs/dbraw/zinc/47/29/43/855472943.db2.gz RTQDXAUFVJGIHB-ROUUACIJSA-N -1 3 380.469 3.954 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC001128100439 855545701 /nfs/dbraw/zinc/54/57/01/855545701.db2.gz HRQGBZJBBXCHBA-SQDUEUQLSA-N -1 3 376.453 3.545 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c([O-])c1 ZINC000094017200 855720750 /nfs/dbraw/zinc/72/07/50/855720750.db2.gz YAXGMLFWGKIBNI-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM Cn1c(CN[C@@H](CCSc2ccccc2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000417620884 855741063 /nfs/dbraw/zinc/74/10/63/855741063.db2.gz MAGCSVWJJXEDIT-INIZCTEOSA-N -1 3 389.908 3.952 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1noc(Cc2ccccc2)n1 ZINC000765855318 855755826 /nfs/dbraw/zinc/75/58/26/855755826.db2.gz CUPVEKRCZSKVMY-GFCCVEGCSA-N -1 3 375.350 3.769 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)sc2C)s1 ZINC000134991649 855762117 /nfs/dbraw/zinc/76/21/17/855762117.db2.gz DEYRGPCWFASQMW-SSDOTTSWSA-N -1 3 381.342 3.623 20 0 GHADHM O=c1[n-]c(SCCOc2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1 ZINC000022312745 855773485 /nfs/dbraw/zinc/77/34/85/855773485.db2.gz QHXSCBVPVZRAIT-UHFFFAOYSA-N -1 3 398.875 3.933 20 0 GHADHM O=c1[n-]c(CN2CC3(CCC3)[C@@H]2C2CCOCC2)nc2c3ccccc3oc21 ZINC000573114362 855849101 /nfs/dbraw/zinc/84/91/01/855849101.db2.gz SOIDZCSTJHNKCM-FQEVSTJZSA-N -1 3 379.460 3.863 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3cc(C)ccc32)cc1Cl ZINC000591389157 855942846 /nfs/dbraw/zinc/94/28/46/855942846.db2.gz QBSSWXCQXBICPS-MRXNPFEDSA-N -1 3 396.871 3.712 20 0 GHADHM O=C(Nc1cccc(CSc2ccccn2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591450515 855994718 /nfs/dbraw/zinc/99/47/18/855994718.db2.gz NUGGTUYYWGSDIC-UHFFFAOYSA-N -1 3 389.436 3.510 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000029048347 856015875 /nfs/dbraw/zinc/01/58/75/856015875.db2.gz KCZZHDXCGJENNK-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000029048066 856016005 /nfs/dbraw/zinc/01/60/05/856016005.db2.gz JUQZMWFMLYIYIA-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485129911 856129706 /nfs/dbraw/zinc/12/97/06/856129706.db2.gz RRJJYOOMJHNZRD-ZDUSSCGKSA-N -1 3 395.463 3.632 20 0 GHADHM CCCN(CCC)C(=O)CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485138080 856149376 /nfs/dbraw/zinc/14/93/76/856149376.db2.gz ZPMCHMBWUFJCHB-UHFFFAOYSA-N -1 3 383.452 3.585 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H]1c1ccccc1 ZINC000482167348 862766930 /nfs/dbraw/zinc/76/69/30/862766930.db2.gz HDDLQFRWCHFZNH-MRXNPFEDSA-N -1 3 385.265 3.888 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)c([O-])c1 ZINC000031934663 856196941 /nfs/dbraw/zinc/19/69/41/856196941.db2.gz BKPNFZXCZOVKQB-JTQLQIEISA-N -1 3 380.238 3.663 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCCc1ccc(Cl)s1 ZINC000482166884 862768053 /nfs/dbraw/zinc/76/80/53/862768053.db2.gz GPYKOBZALPMFOJ-UHFFFAOYSA-N -1 3 399.701 3.598 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000171620003 856206689 /nfs/dbraw/zinc/20/66/89/856206689.db2.gz ABCLJURJRVKIIA-NRFANRHFSA-N -1 3 392.499 3.711 20 0 GHADHM CCc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)c1[O-] ZINC000674358390 856207432 /nfs/dbraw/zinc/20/74/32/856207432.db2.gz LGTVBRVUVMXDMM-UHFFFAOYSA-N -1 3 388.467 3.706 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Oc2cccnc2)cc1 ZINC000436746453 856210700 /nfs/dbraw/zinc/21/07/00/856210700.db2.gz HCWSAIQLIGKZFT-ZDUSSCGKSA-N -1 3 378.384 3.799 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000436758993 856222987 /nfs/dbraw/zinc/22/29/87/856222987.db2.gz PZBPRAWUOJGEOZ-UHFFFAOYSA-N -1 3 389.713 3.968 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(OC(F)F)c(Cl)c1 ZINC000032591226 856242528 /nfs/dbraw/zinc/24/25/28/856242528.db2.gz JTYUDMKIRMVUJQ-UHFFFAOYSA-N -1 3 375.780 3.677 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)c(C)c1F ZINC000181155124 862775484 /nfs/dbraw/zinc/77/54/84/862775484.db2.gz GEAGGUFTWUHVOZ-UHFFFAOYSA-N -1 3 391.424 3.767 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000033181435 856282035 /nfs/dbraw/zinc/28/20/35/856282035.db2.gz ZQGYSJLAOIYHNZ-GOEBONIOSA-N -1 3 390.480 3.935 20 0 GHADHM O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000041816321 856328509 /nfs/dbraw/zinc/32/85/09/856328509.db2.gz RPQUGCCZQYYEFH-FQEVSTJZSA-N -1 3 395.890 3.748 20 0 GHADHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000520752607 856331136 /nfs/dbraw/zinc/33/11/36/856331136.db2.gz TUVSQYBZAZZZBJ-HOCLYGCPSA-N -1 3 383.245 3.577 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C(C)C)c2)c(C)c1 ZINC000195343074 856379441 /nfs/dbraw/zinc/37/94/41/856379441.db2.gz KFTVTEKCYKUHKV-UHFFFAOYSA-N -1 3 390.505 3.593 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000485392522 856433766 /nfs/dbraw/zinc/43/37/66/856433766.db2.gz ZCWSHZCUTILQQV-UHFFFAOYSA-N -1 3 390.480 3.756 20 0 GHADHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)ccc21 ZINC000485393690 856452922 /nfs/dbraw/zinc/45/29/22/856452922.db2.gz CHDYPZCJCRRQMU-UHFFFAOYSA-N -1 3 390.480 3.933 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1N1CCCCC1 ZINC000472149487 856475884 /nfs/dbraw/zinc/47/58/84/856475884.db2.gz CDVXGTWGKWGDLP-UHFFFAOYSA-N -1 3 389.455 3.887 20 0 GHADHM O=C([O-])CC1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000909457667 856605441 /nfs/dbraw/zinc/60/54/41/856605441.db2.gz JACHBYVYVJHYAX-GOSISDBHSA-N -1 3 390.499 3.579 20 0 GHADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1ccc(Br)s1 ZINC000605164208 862815322 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O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Nc2ncccn2)c1 ZINC000676055652 857719504 /nfs/dbraw/zinc/71/95/04/857719504.db2.gz JJGCBCVOGKQHIG-UHFFFAOYSA-N -1 3 399.248 3.618 20 0 GHADHM [O-]c1c(F)cc(F)cc1Nc1nc(Br)cnc1Br ZINC001212479853 857753778 /nfs/dbraw/zinc/75/37/78/857753778.db2.gz VSLKOCWWKYFIQS-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000676233774 857797262 /nfs/dbraw/zinc/79/72/62/857797262.db2.gz UEIZWIBWZKPUJB-MAUKXSAKSA-N -1 3 378.488 3.606 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1Oc1cccnc1 ZINC000065827062 857858789 /nfs/dbraw/zinc/85/87/89/857858789.db2.gz SVZSMGZHYSUDKZ-UHFFFAOYSA-N -1 3 388.383 3.710 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001271257343 862962276 /nfs/dbraw/zinc/96/22/76/862962276.db2.gz VKPREMJGLLFZMC-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC000908091264 857913648 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398.507 3.611 20 0 GHADHM Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000605375812 862990134 /nfs/dbraw/zinc/99/01/34/862990134.db2.gz FUSCIYXUXOJVOT-UHFFFAOYSA-N -1 3 399.447 3.607 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(Br)cc1 ZINC000059362184 858306085 /nfs/dbraw/zinc/30/60/85/858306085.db2.gz WPUXJGLAFHDAHO-UHFFFAOYSA-N -1 3 399.285 3.989 20 0 GHADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000443014804 858312120 /nfs/dbraw/zinc/31/21/20/858312120.db2.gz QEACTHFEXSJGGJ-LLVKDONJSA-N -1 3 393.408 3.507 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000443101172 858358628 /nfs/dbraw/zinc/35/86/28/858358628.db2.gz ZELSOSACBWZAQB-KRWDZBQOSA-N -1 3 397.443 3.817 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@@H](C)CC2)cc1OC ZINC000443162549 858415883 /nfs/dbraw/zinc/41/58/83/858415883.db2.gz RCLVHNIGARHLMF-KGLIPLIRSA-N -1 3 383.514 3.547 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1(Oc2ccccc2F)CC1 ZINC000443231798 858478332 /nfs/dbraw/zinc/47/83/32/858478332.db2.gz QSPPIHIRUGJTMT-UHFFFAOYSA-N -1 3 378.363 3.907 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1(Oc2ccccc2F)CC1 ZINC000443231798 858478338 /nfs/dbraw/zinc/47/83/38/858478338.db2.gz QSPPIHIRUGJTMT-UHFFFAOYSA-N -1 3 378.363 3.907 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000158168256 858488124 /nfs/dbraw/zinc/48/81/24/858488124.db2.gz DZSKHMPUSMJWPA-CABZTGNLSA-N -1 3 397.415 3.697 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000158169288 858489188 /nfs/dbraw/zinc/48/91/88/858489188.db2.gz UNUNSOJELLMLAC-JOYOIKCWSA-N -1 3 397.415 3.697 20 0 GHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000522124385 858632228 /nfs/dbraw/zinc/63/22/28/858632228.db2.gz LIMKHLUOVCKCPQ-INIZCTEOSA-N -1 3 390.505 3.664 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000443410944 858655521 /nfs/dbraw/zinc/65/55/21/858655521.db2.gz SOPDASFVSRGZEO-UHFFFAOYSA-N -1 3 392.221 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GHADHM COC(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1Cl ZINC000735646813 864901885 /nfs/dbraw/zinc/90/18/85/864901885.db2.gz UKBBAFFHBVNXJI-UHFFFAOYSA-N -1 3 377.849 3.856 20 0 GHADHM [O-]c1cccnc1CNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000480587662 864918149 /nfs/dbraw/zinc/91/81/49/864918149.db2.gz YGGIHQYQPQJKFG-UHFFFAOYSA-N -1 3 375.457 3.955 20 0 GHADHM CCOc1ccc(C2(CNC(=O)c3ccc(CC)cc3[O-])CCOCC2)cc1 ZINC000622327604 864935333 /nfs/dbraw/zinc/93/53/33/864935333.db2.gz MSTZQPGDUQGFHK-UHFFFAOYSA-N -1 3 383.488 3.832 20 0 GHADHM COc1cc(F)ccc1N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622375856 864954064 /nfs/dbraw/zinc/95/40/64/864954064.db2.gz QSHWHQBSXDXABY-UHFFFAOYSA-N -1 3 398.356 3.521 20 0 GHADHM CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735927855 865053686 /nfs/dbraw/zinc/05/36/86/865053686.db2.gz DJDKDEJVYDAMRE-FQEVSTJZSA-N -1 3 390.491 3.622 20 0 GHADHM CC(C)(C)c1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)s1 ZINC000608174604 865069557 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GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCOc2ccc(Cl)c(C)c2)n1 ZINC000622738676 865170035 /nfs/dbraw/zinc/17/00/35/865170035.db2.gz BXLHCCCFOXIIGS-UHFFFAOYSA-N -1 3 377.872 3.663 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000622739733 865195073 /nfs/dbraw/zinc/19/50/73/865195073.db2.gz YJSYXPKTHFMDBT-LLVKDONJSA-N -1 3 397.397 3.619 20 0 GHADHM CCCc1noc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000736499159 865221964 /nfs/dbraw/zinc/22/19/64/865221964.db2.gz CDKQONHYQOKORB-UHFFFAOYSA-N -1 3 379.449 3.557 20 0 GHADHM CCCc1noc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000736499159 865221982 /nfs/dbraw/zinc/22/19/82/865221982.db2.gz CDKQONHYQOKORB-UHFFFAOYSA-N -1 3 379.449 3.557 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000763751132 865245053 /nfs/dbraw/zinc/24/50/53/865245053.db2.gz JLJZVJRBGDUNBB-OAHLLOKOSA-N -1 3 391.851 3.746 20 0 GHADHM COCc1cccc(OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000737022247 865348260 /nfs/dbraw/zinc/34/82/60/865348260.db2.gz OBZGQSJLTGIIIR-UHFFFAOYSA-N -1 3 386.411 3.899 20 0 GHADHM COCc1cccc(OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000737022247 865348277 /nfs/dbraw/zinc/34/82/77/865348277.db2.gz OBZGQSJLTGIIIR-UHFFFAOYSA-N -1 3 386.411 3.899 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(O)ccc2Cl)[nH][n-]1 ZINC000555017387 865354291 /nfs/dbraw/zinc/35/42/91/865354291.db2.gz BFBXHZSXSGMAEV-UHFFFAOYSA-N -1 3 378.215 3.772 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1-c1nnn[n-]1 ZINC000737190355 865374697 /nfs/dbraw/zinc/37/46/97/865374697.db2.gz YOVGJUCMNYAMIR-CZUORRHYSA-N -1 3 398.536 3.560 20 0 GHADHM Cc1[nH]nc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1-c1cccc(Cl)c1 ZINC000608469937 865377767 /nfs/dbraw/zinc/37/77/67/865377767.db2.gz WLXVTLJDUIMYTD-UHFFFAOYSA-N -1 3 385.855 3.722 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000737232634 865378577 /nfs/dbraw/zinc/37/85/77/865378577.db2.gz CRYUNASFQKJQMT-LBPRGKRZSA-N -1 3 387.390 3.576 20 0 GHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000737232634 865378595 /nfs/dbraw/zinc/37/85/95/865378595.db2.gz CRYUNASFQKJQMT-LBPRGKRZSA-N -1 3 387.390 3.576 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(F)c(F)cc(F)c3F)nc2)n1 ZINC000301598351 865446915 /nfs/dbraw/zinc/44/69/15/865446915.db2.gz XPHJDTGKCTZXCE-UHFFFAOYSA-N -1 3 378.329 3.975 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000480878483 865451053 /nfs/dbraw/zinc/45/10/53/865451053.db2.gz KCVGVTWMDAYGME-UHFFFAOYSA-N -1 3 388.276 3.601 20 0 GHADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)c2ccccn2)cc1 ZINC000738381478 865535293 /nfs/dbraw/zinc/53/52/93/865535293.db2.gz QCIOWQZQXKDMEP-QGZVFWFLSA-N -1 3 387.892 3.701 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1F)c1cnc(Cl)c(Cl)c1 ZINC000738353261 865545017 /nfs/dbraw/zinc/54/50/17/865545017.db2.gz RNYIIVITIQFLOE-UHFFFAOYSA-N -1 3 395.308 3.739 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1F ZINC000555127650 865572690 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O=C(C[C@@H]1CCC(F)(F)C1)Nc1cc(I)ccc1[O-] ZINC000797959347 866012800 /nfs/dbraw/zinc/01/28/00/866012800.db2.gz KNERUERXDGQDFS-QMMMGPOBSA-N -1 3 381.160 3.761 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCc3nc(C4CCCC4)no3)[nH][n-]2)c1 ZINC000475493869 866036030 /nfs/dbraw/zinc/03/60/30/866036030.db2.gz PCMYTCMUTWDNJN-UHFFFAOYSA-N -1 3 379.464 3.727 20 0 GHADHM CCOc1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000456048273 866045388 /nfs/dbraw/zinc/04/53/88/866045388.db2.gz OMLXSGHAPGQADP-QGZVFWFLSA-N -1 3 388.851 3.688 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000185407236 866051449 /nfs/dbraw/zinc/05/14/49/866051449.db2.gz OYIVSZHBWBLUFX-ICSRJNTNSA-N -1 3 387.505 3.613 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000056138249 866205122 /nfs/dbraw/zinc/20/51/22/866205122.db2.gz JYHQOTNRGNHFHB-SWLSCSKDSA-N -1 3 375.874 3.739 20 0 GHADHM Cc1ncc(Br)cc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000456194861 866211712 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O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1ccc2ncccc2c1 ZINC000741650906 866694658 /nfs/dbraw/zinc/69/46/58/866694658.db2.gz DVCJWXMKOIRDNY-UHFFFAOYSA-N -1 3 385.514 3.589 20 0 GHADHM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000444534348 866869889 /nfs/dbraw/zinc/86/98/89/866869889.db2.gz IARQWLDPTKWKMR-UHFFFAOYSA-N -1 3 384.476 3.967 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000620572191 866870603 /nfs/dbraw/zinc/87/06/03/866870603.db2.gz SGMSXEIEPNEKBP-LJQANCHMSA-N -1 3 394.519 3.644 20 0 GHADHM COc1ccc2[nH]c(=N[N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C)cc2c1 ZINC000183607968 866903288 /nfs/dbraw/zinc/90/32/88/866903288.db2.gz WKHQCFZIPFJGQR-UHFFFAOYSA-N -1 3 386.795 3.870 20 0 GHADHM Cc1oc2ccc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)cc2c1C ZINC000478976574 866982956 /nfs/dbraw/zinc/98/29/56/866982956.db2.gz CXJDSCWSURRGHU-UHFFFAOYSA-N -1 3 398.893 3.682 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444626273 866984365 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GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)o1 ZINC000742307118 867190007 /nfs/dbraw/zinc/19/00/07/867190007.db2.gz HGNUWNAEDQYFAJ-IBGZPJMESA-N -1 3 393.505 3.829 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC000479161178 867229055 /nfs/dbraw/zinc/22/90/55/867229055.db2.gz QWEJLNCEDQVXDE-MRXNPFEDSA-N -1 3 389.370 3.784 20 0 GHADHM C[C@@]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC000479152270 867248160 /nfs/dbraw/zinc/24/81/60/867248160.db2.gz INTMYRVXASYZIJ-LLVKDONJSA-N -1 3 377.306 3.595 20 0 GHADHM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cn(Cc2ccccn2)nn1 ZINC000742612855 867420287 /nfs/dbraw/zinc/42/02/87/867420287.db2.gz IZFMBKRMIQNKCO-UHFFFAOYSA-N -1 3 395.822 3.942 20 0 GHADHM CC[C@](C)(OC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000479362711 867666798 /nfs/dbraw/zinc/66/67/98/867666798.db2.gz JLVNWHWEZGNSFD-IBGZPJMESA-N -1 3 376.478 3.549 20 0 GHADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000479402329 867673257 /nfs/dbraw/zinc/67/32/57/867673257.db2.gz NQYUALSSYDOLSN-IFXJQAMLSA-N -1 3 390.480 3.887 20 0 GHADHM Cc1ccc(N2CCOCC2)cc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857202959 882114660 /nfs/dbraw/zinc/11/46/60/882114660.db2.gz OLTCOMXIPJFCHF-UHFFFAOYSA-N -1 3 380.366 3.808 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C ZINC000743047781 867780748 /nfs/dbraw/zinc/78/07/48/867780748.db2.gz PNVRMLPOCRGXSL-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743048686 867784735 /nfs/dbraw/zinc/78/47/35/867784735.db2.gz CPWQQEPEZHXKQQ-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)c[nH]1 ZINC000534942238 867803229 /nfs/dbraw/zinc/80/32/29/867803229.db2.gz RWYRNYKXKNWBOB-UHFFFAOYSA-N -1 3 383.640 3.562 20 0 GHADHM COc1cc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccn1 ZINC000534956202 867832405 /nfs/dbraw/zinc/83/24/05/867832405.db2.gz AXTHJPFLTRKQHW-UHFFFAOYSA-N -1 3 397.500 3.523 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3C(F)(F)F)n[n-]2)o1 ZINC000479477653 867839481 /nfs/dbraw/zinc/83/94/81/867839481.db2.gz UAXSRWQMIZVJDG-SNVBAGLBSA-N -1 3 380.326 3.798 20 0 GHADHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccn2)cc1 ZINC000523735434 867870006 /nfs/dbraw/zinc/87/00/06/867870006.db2.gz LPLVITZYVGVIKZ-IBGZPJMESA-N -1 3 388.439 3.931 20 0 GHADHM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000479553379 868038818 /nfs/dbraw/zinc/03/88/18/868038818.db2.gz KLQYXPXBIABRGS-UHFFFAOYSA-N -1 3 379.331 3.576 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000445245591 868067574 /nfs/dbraw/zinc/06/75/74/868067574.db2.gz BNEXVIKCGGISKU-UHFFFAOYSA-N -1 3 398.440 3.844 20 0 GHADHM CCCn1nccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000667531845 868263278 /nfs/dbraw/zinc/26/32/78/868263278.db2.gz SBCRWAAMHFABNW-UHFFFAOYSA-N -1 3 376.888 3.503 20 0 GHADHM CC[C@H](C)OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000156211918 868288702 /nfs/dbraw/zinc/28/87/02/868288702.db2.gz BERVHQUURCTWTK-INIZCTEOSA-N -1 3 390.505 3.858 20 0 GHADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000553887604 868426552 /nfs/dbraw/zinc/42/65/52/868426552.db2.gz VCSJBVWJAXPFCH-UHFFFAOYSA-N -1 3 398.750 3.834 20 0 GHADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000156726824 868447317 /nfs/dbraw/zinc/44/73/17/868447317.db2.gz DXKQTLZXUWNOHA-TZMCWYRMSA-N -1 3 388.316 3.826 20 0 GHADHM CCN1CCN(c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2F)CC1 ZINC000445455174 868489768 /nfs/dbraw/zinc/48/97/68/868489768.db2.gz OFAHSRMMDUBKNQ-UHFFFAOYSA-N -1 3 386.402 3.529 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)C1(c2ccc(F)cc2F)CCC1 ZINC000648431794 882208193 /nfs/dbraw/zinc/20/81/93/882208193.db2.gz DWMNGRRTNLDVHN-UHFFFAOYSA-N -1 3 393.743 3.859 20 0 GHADHM CON(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000857339295 882210503 /nfs/dbraw/zinc/21/05/03/882210503.db2.gz PLHVBSCUSGSXCM-LBPRGKRZSA-N -1 3 397.397 3.902 20 0 GHADHM Cc1cc(Cl)ccc1Cc1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000445590701 868680860 /nfs/dbraw/zinc/68/08/60/868680860.db2.gz DHFPPKVUSYWGKN-UHFFFAOYSA-N -1 3 377.853 3.661 20 0 GHADHM O=C(NCCCOC1CCCCC1)NCc1ccc([O-])c(Br)c1 ZINC000157595851 868699849 /nfs/dbraw/zinc/69/98/49/868699849.db2.gz VRIIWRHTCISLPD-UHFFFAOYSA-N -1 3 385.302 3.693 20 0 GHADHM CC(C)c1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)nn1C(C)(C)C ZINC000648433348 882223433 /nfs/dbraw/zinc/22/34/33/882223433.db2.gz YRFVPRUDBQTKEW-UHFFFAOYSA-N -1 3 391.825 3.848 20 0 GHADHM CCOc1ccccc1[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])NC(C)=O ZINC000535436896 868762933 /nfs/dbraw/zinc/76/29/33/868762933.db2.gz QVSILZSBOYCEPQ-HNNXBMFYSA-N -1 3 376.840 3.650 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1C1CC1 ZINC000648432122 882227481 /nfs/dbraw/zinc/22/74/81/882227481.db2.gz QLDVBTPHYAMYRT-VIFPVBQESA-N -1 3 389.809 3.818 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)c(Br)c1 ZINC000621149217 868803037 /nfs/dbraw/zinc/80/30/37/868803037.db2.gz VJNHFRFHAHNQRI-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCCC3=O)c2)cc1 ZINC000005330192 882244582 /nfs/dbraw/zinc/24/45/82/882244582.db2.gz NPFYQYQSCJDYPX-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM CCSc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000445759710 868961018 /nfs/dbraw/zinc/96/10/18/868961018.db2.gz UFDJFVZJRTYDEU-UHFFFAOYSA-N -1 3 383.473 3.835 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c(C)o1 ZINC000445831795 869043203 /nfs/dbraw/zinc/04/32/03/869043203.db2.gz DPZZFBYQOZJCIF-JTQLQIEISA-N -1 3 381.841 3.639 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCN(c4ccccc4Cl)C3=O)n[n-]2)o1 ZINC000744786801 869078156 /nfs/dbraw/zinc/07/81/56/869078156.db2.gz GGEIFGDLAQXJLM-GOSISDBHSA-N -1 3 399.834 3.984 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCCN(c4ccccc4Cl)C3=O)[n-]n2)o1 ZINC000744786801 869078168 /nfs/dbraw/zinc/07/81/68/869078168.db2.gz GGEIFGDLAQXJLM-GOSISDBHSA-N -1 3 399.834 3.984 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)s1 ZINC000462254363 869099253 /nfs/dbraw/zinc/09/92/53/869099253.db2.gz JCZJXZWRIWLIFE-CYBMUJFWSA-N -1 3 386.336 3.655 20 0 GHADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C12CCC2 ZINC000462320770 869217213 /nfs/dbraw/zinc/21/72/13/869217213.db2.gz KXJOBIGGKUBPPJ-CHWSQXEVSA-N -1 3 378.321 3.928 20 0 GHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000122261098 869273789 /nfs/dbraw/zinc/27/37/89/869273789.db2.gz CXTXURUNJFQYLF-NEPJUHHUSA-N -1 3 376.881 3.685 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1nccs1 ZINC000462350850 869278907 /nfs/dbraw/zinc/27/89/07/869278907.db2.gz DFAWEFLMUGTLOB-QMMMGPOBSA-N -1 3 381.306 3.888 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000462409035 869387530 /nfs/dbraw/zinc/38/75/30/869387530.db2.gz QKWKXIQOKJQTOQ-CYBMUJFWSA-N -1 3 378.252 3.799 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H](c1ccccc1)C(F)F ZINC000640298878 882309966 /nfs/dbraw/zinc/30/99/66/882309966.db2.gz PVAGBLQBRICFBW-SNVBAGLBSA-N -1 3 382.720 3.649 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)s1 ZINC000462478306 869504203 /nfs/dbraw/zinc/50/42/03/869504203.db2.gz HMUQOMWSILKNSC-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)cc1Cl ZINC000462504751 869566949 /nfs/dbraw/zinc/56/69/49/869566949.db2.gz SVEPDNKUQLWGAB-SWLSCSKDSA-N -1 3 388.892 3.685 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cccc(Br)c2)cc1[O-] ZINC000745651092 869719782 /nfs/dbraw/zinc/71/97/82/869719782.db2.gz QTOWQMUSXNPVPO-UHFFFAOYSA-N -1 3 380.194 3.690 20 0 GHADHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462624798 869783951 /nfs/dbraw/zinc/78/39/51/869783951.db2.gz TZECWEWSICSYNV-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000462659145 869856980 /nfs/dbraw/zinc/85/69/80/869856980.db2.gz IBHGFEOTGAQNBQ-CYBMUJFWSA-N -1 3 378.252 3.799 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)Oc1ccccc1F ZINC000462706163 869935772 /nfs/dbraw/zinc/93/57/72/869935772.db2.gz RMFOFTFVUGTLFM-ZDUSSCGKSA-N -1 3 392.477 3.695 20 0 GHADHM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000539874163 869944744 /nfs/dbraw/zinc/94/47/44/869944744.db2.gz LDODKZVROFPRKV-KJXAQDMKSA-N -1 3 395.499 3.586 20 0 GHADHM Cc1cc(NC(=O)COC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])no1 ZINC000746079546 869995846 /nfs/dbraw/zinc/99/58/46/869995846.db2.gz OEAQWJLNJGDZTJ-UHFFFAOYSA-N -1 3 386.791 3.805 20 0 GHADHM O=C(CCc1cncc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000462772421 870070470 /nfs/dbraw/zinc/07/04/70/870070470.db2.gz JZJDCSRHXJALBB-UHFFFAOYSA-N -1 3 385.261 3.952 20 0 GHADHM COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011809681 882376377 /nfs/dbraw/zinc/37/63/77/882376377.db2.gz WWRHNJUHENXGGG-QMMMGPOBSA-N -1 3 387.219 3.523 20 0 GHADHM CC(C)c1ccc(CC2CCN(C(=O)c3cnc4c(cnn4C)c3[O-])CC2)cc1 ZINC000462817106 870146464 /nfs/dbraw/zinc/14/64/64/870146464.db2.gz NTXLKPPULQFYLU-UHFFFAOYSA-N -1 3 392.503 3.892 20 0 GHADHM CSc1ccccc1CN(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640300028 882384105 /nfs/dbraw/zinc/38/41/05/882384105.db2.gz CJNSHJUSJDRGGB-UHFFFAOYSA-N -1 3 392.834 3.907 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(Cl)ncc1Br ZINC001192310882 870278006 /nfs/dbraw/zinc/27/80/06/870278006.db2.gz ODKXFLZMVJFAJZ-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c([O-])c1 ZINC001192322574 870286324 /nfs/dbraw/zinc/28/63/24/870286324.db2.gz FCGGNXXDCPIPBY-UHFFFAOYSA-N -1 3 398.478 3.863 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c([O-])c1 ZINC001192327447 870291995 /nfs/dbraw/zinc/29/19/95/870291995.db2.gz UPUPTVUHCDPTRC-VQTJNVASSA-N -1 3 379.504 3.574 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c([O-])c1 ZINC001192327597 870292779 /nfs/dbraw/zinc/29/27/79/870292779.db2.gz YJPJAUFVUCBLEW-YJBOKZPZSA-N -1 3 399.560 3.883 20 0 GHADHM Cc1cccc(C2(CNC(=O)c3ccc(C(C)(C)C)cc3[O-])CCOCC2)n1 ZINC001192341667 870302163 /nfs/dbraw/zinc/30/21/63/870302163.db2.gz ZNTYZONWUCYHQI-UHFFFAOYSA-N -1 3 382.504 3.871 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC001192356138 870316030 /nfs/dbraw/zinc/31/60/30/870316030.db2.gz PSOJGQOMIXPXOA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC001192425395 870353366 /nfs/dbraw/zinc/35/33/66/870353366.db2.gz ZBPFGLQWHWTHDG-UHFFFAOYSA-N -1 3 398.388 3.675 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1ccc(N2CCCCC2)cn1 ZINC000446810860 870405046 /nfs/dbraw/zinc/40/50/46/870405046.db2.gz SKSVAVTWQXQPDK-UHFFFAOYSA-N -1 3 383.876 3.806 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2c(F)cccc2C(F)(F)F)cnc1Cl ZINC001192582905 870513315 /nfs/dbraw/zinc/51/33/15/870513315.db2.gz BSVKEXRLLCFGKF-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC000538746101 870554474 /nfs/dbraw/zinc/55/44/74/870554474.db2.gz WJAFFRGNYHMZHK-ZDUSSCGKSA-N -1 3 389.786 3.798 20 0 GHADHM CCCCCOCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000122112535 882420716 /nfs/dbraw/zinc/42/07/16/882420716.db2.gz BNMWYSWJAYIQKT-UHFFFAOYSA-N -1 3 390.505 3.941 20 0 GHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192638014 870583889 /nfs/dbraw/zinc/58/38/89/870583889.db2.gz PZEGASRVGUKMQP-UHFFFAOYSA-N -1 3 388.424 3.622 20 0 GHADHM CC1(CNC(=O)NCc2ccc([O-])c(Br)c2)Cc2ccccc2C1 ZINC000538777585 870591066 /nfs/dbraw/zinc/59/10/66/870591066.db2.gz GGBZHEJYXNONIN-UHFFFAOYSA-N -1 3 389.293 3.759 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)c([O-])cc21 ZINC000461616536 870596107 /nfs/dbraw/zinc/59/61/07/870596107.db2.gz XVVSFMDHJANGKG-UHFFFAOYSA-N -1 3 399.756 3.507 20 0 GHADHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC001192735315 870623602 /nfs/dbraw/zinc/62/36/02/870623602.db2.gz NPVNQPZENIMUNY-UHFFFAOYSA-N -1 3 389.362 3.726 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461619474 870642220 /nfs/dbraw/zinc/64/22/20/870642220.db2.gz MNRQBEXSVBGMKK-LJQANCHMSA-N -1 3 397.475 3.502 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000738211798 870792942 /nfs/dbraw/zinc/79/29/42/870792942.db2.gz YHNRYXXRXOHTDX-OAHLLOKOSA-N -1 3 389.440 3.710 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000738211798 870792949 /nfs/dbraw/zinc/79/29/49/870792949.db2.gz YHNRYXXRXOHTDX-OAHLLOKOSA-N -1 3 389.440 3.710 20 0 GHADHM CN1CC[C@H](CNC(=O)c2c([O-])cccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249296765 870805158 /nfs/dbraw/zinc/80/51/58/870805158.db2.gz MRKRKEVASPIOJI-KZULUSFZSA-N -1 3 380.822 3.747 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2C)c1 ZINC001193006573 870816198 /nfs/dbraw/zinc/81/61/98/870816198.db2.gz REFCIGLOQKXZTJ-UHFFFAOYSA-N -1 3 389.851 3.865 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OC(F)(F)O2)c1cc(Cl)ccc1Cl ZINC001193005844 870816342 /nfs/dbraw/zinc/81/63/42/870816342.db2.gz BKYWVTMIAVYHDC-UHFFFAOYSA-N -1 3 396.198 3.793 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc2c1OC(F)(F)O2 ZINC001193014631 870844958 /nfs/dbraw/zinc/84/49/58/870844958.db2.gz XOLXQSWVKDXKHU-UHFFFAOYSA-N -1 3 399.346 3.680 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1OC(F)F)c1cc(F)ccc1Cl ZINC001193031856 870855501 /nfs/dbraw/zinc/85/55/01/870855501.db2.gz JKPWQWJPZTUZOK-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM CCc1nc(C(C)C)ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000506113514 870867792 /nfs/dbraw/zinc/86/77/92/870867792.db2.gz SKFGNEALRBSJRL-UHFFFAOYSA-N -1 3 387.281 3.852 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)c([O-])c1 ZINC000538925949 870938219 /nfs/dbraw/zinc/93/82/19/870938219.db2.gz CMIXXLRDHJGHNT-UHFFFAOYSA-N -1 3 393.443 3.553 20 0 GHADHM CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193478706 871119798 /nfs/dbraw/zinc/11/97/98/871119798.db2.gz GUWSVXZPQHXTKD-UHFFFAOYSA-N -1 3 375.878 3.624 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCSC2)c(Br)c1 ZINC001193629145 871197993 /nfs/dbraw/zinc/19/79/93/871197993.db2.gz UGACQKOYJQXLDK-JTQLQIEISA-N -1 3 398.775 3.832 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)c[nH]2)cc1 ZINC001193771882 871272068 /nfs/dbraw/zinc/27/20/68/871272068.db2.gz RIPINZJVOPBJNV-UHFFFAOYSA-N -1 3 385.427 3.786 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCCC3)c2)o1 ZINC000539107758 871280942 /nfs/dbraw/zinc/28/09/42/871280942.db2.gz DHBYZKWQPPBLNF-UHFFFAOYSA-N -1 3 376.478 3.585 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC001193929583 871376215 /nfs/dbraw/zinc/37/62/15/871376215.db2.gz JFONOYWRLIKVMG-IMJJTQAJSA-N -1 3 375.465 3.521 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NC1(c2ccccc2C(F)(F)F)CCOCC1 ZINC001193946563 871424282 /nfs/dbraw/zinc/42/42/82/871424282.db2.gz VIXHUQXJHZXYOU-UHFFFAOYSA-N -1 3 395.377 3.861 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)sc1Br ZINC000149834830 871451842 /nfs/dbraw/zinc/45/18/42/871451842.db2.gz VZKFDSWTKJOATI-JTQLQIEISA-N -1 3 378.313 3.712 20 0 GHADHM O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181761862 871464483 /nfs/dbraw/zinc/46/44/83/871464483.db2.gz REPWKNWTZKFQIL-OAHLLOKOSA-N -1 3 392.427 3.950 20 0 GHADHM COC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000447399243 871533965 /nfs/dbraw/zinc/53/39/65/871533965.db2.gz VEKLEDZAKQVKEN-UHFFFAOYSA-N -1 3 390.505 3.858 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3cc(Cl)ncc3F)cc12 ZINC001194344030 871657362 /nfs/dbraw/zinc/65/73/62/871657362.db2.gz ONCQUZGUKPNJKR-UHFFFAOYSA-N -1 3 388.207 3.582 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)s1 ZINC000462130552 871688997 /nfs/dbraw/zinc/68/89/97/871688997.db2.gz VHUCVLJKFNZUBG-JTQLQIEISA-N -1 3 390.324 3.565 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194498849 871750054 /nfs/dbraw/zinc/75/00/54/871750054.db2.gz RNFFDZPTVNOUMJ-UHFFFAOYSA-N -1 3 375.881 3.751 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(F)c1F ZINC000133894258 882553789 /nfs/dbraw/zinc/55/37/89/882553789.db2.gz BVHMWGVBLMPNEI-VIFPVBQESA-N -1 3 385.208 3.993 20 0 GHADHM O=C(N[C@H](CC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1)c1ccc([O-])cc1 ZINC000618694876 871863680 /nfs/dbraw/zinc/86/36/80/871863680.db2.gz BLBUAZDVGCRXJW-LAUBAEHRSA-N -1 3 398.478 3.852 20 0 GHADHM COC(=O)/C=C/c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194866142 871998608 /nfs/dbraw/zinc/99/86/08/871998608.db2.gz FHAFHOJGTWGXIJ-MDZDMXLPSA-N -1 3 389.473 3.607 20 0 GHADHM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3nc(C)ccc3[O-])c12 ZINC000447638339 872054031 /nfs/dbraw/zinc/05/40/31/872054031.db2.gz YEALIQSLTXWHCH-UHFFFAOYSA-N -1 3 379.445 3.667 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1F ZINC001194982326 872086427 /nfs/dbraw/zinc/08/64/27/872086427.db2.gz YSVLPQHQRTZIHL-UHFFFAOYSA-N -1 3 384.432 3.701 20 0 GHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001195135473 872191743 /nfs/dbraw/zinc/19/17/43/872191743.db2.gz XMDZVVLTURQQEU-UHFFFAOYSA-N -1 3 385.222 3.917 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)cc1 ZINC001195173144 872233651 /nfs/dbraw/zinc/23/36/51/872233651.db2.gz VAZIYVZEXRKCPA-UHFFFAOYSA-N -1 3 389.408 3.544 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)cc1 ZINC001195173144 872233668 /nfs/dbraw/zinc/23/36/68/872233668.db2.gz VAZIYVZEXRKCPA-UHFFFAOYSA-N -1 3 389.408 3.544 20 0 GHADHM COc1ccc2c(c1)oc(C(=O)[N-]c1nn3cnnc3s1)c2-c1ccccc1 ZINC000619007340 872234536 /nfs/dbraw/zinc/23/45/36/872234536.db2.gz OLGXPXDFODNNCG-UHFFFAOYSA-N -1 3 391.412 3.860 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1c(F)cccc1Cl ZINC000463667174 872293413 /nfs/dbraw/zinc/29/34/13/872293413.db2.gz GOGYEVAFGHOJLQ-QGZVFWFLSA-N -1 3 382.888 3.595 20 0 GHADHM Cc1cc(=O)[n-]c(CN2CCCC[C@@H]2Cc2cccc(Br)c2)n1 ZINC001195325127 872308811 /nfs/dbraw/zinc/30/88/11/872308811.db2.gz VJXJWVDAAUWTHJ-MRXNPFEDSA-N -1 3 376.298 3.850 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000552258450 872311646 /nfs/dbraw/zinc/31/16/46/872311646.db2.gz KCIGMJDXLYIKHG-SNVBAGLBSA-N -1 3 387.789 3.818 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)C(C)(C)O1 ZINC001195287139 872313829 /nfs/dbraw/zinc/31/38/29/872313829.db2.gz PPFBWGNGDHTFFO-CQSZACIVSA-N -1 3 380.535 3.682 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)s2)cc1 ZINC000526959310 872360507 /nfs/dbraw/zinc/36/05/07/872360507.db2.gz DYVNIRDUQYZZGI-INIZCTEOSA-N -1 3 398.488 3.766 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(Br)ccc1OC(F)(F)F ZINC001195487550 872438174 /nfs/dbraw/zinc/43/81/74/872438174.db2.gz VTRAMDJTEQVBFD-UHFFFAOYSA-N -1 3 387.177 3.791 20 0 GHADHM CCOC(=O)N=C([S-])Nc1cc(Br)ccc1OC(F)(F)F ZINC001195487550 872438187 /nfs/dbraw/zinc/43/81/87/872438187.db2.gz VTRAMDJTEQVBFD-UHFFFAOYSA-N -1 3 387.177 3.791 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(Br)ccc1OC(F)(F)F ZINC001195487550 872438192 /nfs/dbraw/zinc/43/81/92/872438192.db2.gz VTRAMDJTEQVBFD-UHFFFAOYSA-N -1 3 387.177 3.791 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@@H](C4CCC4)C3)cs2)c1 ZINC000666076303 882618021 /nfs/dbraw/zinc/61/80/21/882618021.db2.gz NSQLVWLCYSAGLD-OAHLLOKOSA-N -1 3 399.516 3.601 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)s1 ZINC000527042028 872525676 /nfs/dbraw/zinc/52/56/76/872525676.db2.gz YLMXUCGQDRBYIF-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM Cc1ccc(NC(=O)c2ccn(C)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000478119186 872531467 /nfs/dbraw/zinc/53/14/67/872531467.db2.gz DNNMJYDREIIIGD-UHFFFAOYSA-N -1 3 387.436 3.526 20 0 GHADHM CC(C)O[C@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000463807740 872623504 /nfs/dbraw/zinc/62/35/04/872623504.db2.gz VPQMAZBHRDFLAE-GJZGRUSLSA-N -1 3 385.302 3.546 20 0 GHADHM O=S(=O)(Nc1cc(Cl)c(Cl)nc1Br)c1ccc([O-])cc1 ZINC001195767499 872625982 /nfs/dbraw/zinc/62/59/82/872625982.db2.gz LVLFJNDXSPDIJY-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000122628641 882640298 /nfs/dbraw/zinc/64/02/98/882640298.db2.gz UQPKNXHENZXRFQ-ZDUSSCGKSA-N -1 3 388.489 3.894 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000767587892 872649736 /nfs/dbraw/zinc/64/97/36/872649736.db2.gz JNQDJCNUMQYUML-UHFFFAOYSA-N -1 3 399.390 3.923 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000767589269 872651964 /nfs/dbraw/zinc/65/19/64/872651964.db2.gz CMQRKVOZSUDCAE-SJCJKPOMSA-N -1 3 377.437 3.911 20 0 GHADHM Cc1c2ccccc2sc1[C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000767565955 872656577 /nfs/dbraw/zinc/65/65/77/872656577.db2.gz NJMWSVGFWZGFNJ-MLGOLLRUSA-N -1 3 383.535 3.778 20 0 GHADHM CCCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195786432 872660880 /nfs/dbraw/zinc/66/08/80/872660880.db2.gz DEUPCSIVJDBBCZ-UHFFFAOYSA-N -1 3 384.295 3.756 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001195794528 872667308 /nfs/dbraw/zinc/66/73/08/872667308.db2.gz XVOSISHACFDZGK-HNNXBMFYSA-N -1 3 396.306 3.551 20 0 GHADHM O=S(=O)(NC1(c2ccccc2Br)CCC1)c1ccc([O-])cc1 ZINC001195829041 872698843 /nfs/dbraw/zinc/69/88/43/872698843.db2.gz IKISBBDGZOXYTF-UHFFFAOYSA-N -1 3 382.279 3.512 20 0 GHADHM O=S(=O)(NC1(Cc2cccc(C(F)(F)F)c2)CCC1)c1ccc([O-])cc1 ZINC001195828880 872698903 /nfs/dbraw/zinc/69/89/03/872698903.db2.gz FKTIJNJMPJSVQL-UHFFFAOYSA-N -1 3 385.407 3.855 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(C4CCC4)c3)CC2)n[n-]1 ZINC000463836671 872715444 /nfs/dbraw/zinc/71/54/44/872715444.db2.gz NQWPGGUPZQTKQG-UHFFFAOYSA-N -1 3 397.479 3.660 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(C4CCC4)c3)CC2)[n-]1 ZINC000463836671 872715457 /nfs/dbraw/zinc/71/54/57/872715457.db2.gz NQWPGGUPZQTKQG-UHFFFAOYSA-N -1 3 397.479 3.660 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(F)cc1N ZINC000767725695 872791038 /nfs/dbraw/zinc/79/10/38/872791038.db2.gz RVEOBINDCWKNGX-QMMMGPOBSA-N -1 3 391.424 3.662 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1Cl ZINC000921196072 882662527 /nfs/dbraw/zinc/66/25/27/882662527.db2.gz FXEGEZWCFGGOOE-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000767851612 872889866 /nfs/dbraw/zinc/88/98/66/872889866.db2.gz LRGFZNAAIFAECE-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1F)c1ccc(Br)cn1 ZINC001196190749 872911814 /nfs/dbraw/zinc/91/18/14/872911814.db2.gz BYUKITFWSXAFPU-HNNXBMFYSA-N -1 3 399.285 3.803 20 0 GHADHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)C(F)(F)F ZINC000541126055 872965468 /nfs/dbraw/zinc/96/54/68/872965468.db2.gz WSOREDWIZKYKDN-CQSZACIVSA-N -1 3 376.400 3.987 20 0 GHADHM COc1ccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)nc1Cl ZINC000767993950 873009088 /nfs/dbraw/zinc/00/90/88/873009088.db2.gz QLBKNASNWAQUDZ-UHFFFAOYSA-N -1 3 378.866 3.999 20 0 GHADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000182961753 873018919 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/nfs/dbraw/zinc/06/28/74/883062874.db2.gz NHEIGKABXQINQV-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001129612911 883062892 /nfs/dbraw/zinc/06/28/92/883062892.db2.gz NHEIGKABXQINQV-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM O=Cc1cccc(OCc2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000109266814 876825821 /nfs/dbraw/zinc/82/58/21/876825821.db2.gz QLTQPRUDDXBONS-UHFFFAOYSA-N -1 3 399.410 3.511 20 0 GHADHM O=Cc1cccc(OCc2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000109266814 876825830 /nfs/dbraw/zinc/82/58/30/876825830.db2.gz QLTQPRUDDXBONS-UHFFFAOYSA-N -1 3 399.410 3.511 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000786863092 876989351 /nfs/dbraw/zinc/98/93/51/876989351.db2.gz PPWZRMFFZKHFRR-PBHICJAKSA-N -1 3 376.497 3.863 20 0 GHADHM C[C@H]1CC[C@@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850577272 877048717 /nfs/dbraw/zinc/04/87/17/877048717.db2.gz XQNJRPIUBXBKEQ-KBXCAEBGSA-N -1 3 398.507 3.935 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000786936326 877066354 /nfs/dbraw/zinc/06/63/54/877066354.db2.gz VMLQBTMPQTZQIZ-LJQANCHMSA-N -1 3 385.435 3.588 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)c(C)c1 ZINC000450986792 877153345 /nfs/dbraw/zinc/15/33/45/877153345.db2.gz RIVXPDPLFRSRIC-UHFFFAOYSA-N -1 3 386.473 3.735 20 0 GHADHM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787110591 877153715 /nfs/dbraw/zinc/15/37/15/877153715.db2.gz YBWWVGNSVPXMPG-UHFFFAOYSA-N -1 3 396.503 3.863 20 0 GHADHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc4c(cc3Cl)CCC4)c(F)cc2N1 ZINC000530144475 877162437 /nfs/dbraw/zinc/16/24/37/877162437.db2.gz IBGZZJVBYDRJBZ-UHFFFAOYSA-N -1 3 394.855 3.653 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000787132198 877181705 /nfs/dbraw/zinc/18/17/05/877181705.db2.gz HOQWWOYQNNSFTG-JEOXALJRSA-N -1 3 383.822 3.885 20 0 GHADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787135766 877183225 /nfs/dbraw/zinc/18/32/25/877183225.db2.gz OXEIOXJAIJGUAV-GOEBONIOSA-N -1 3 394.487 3.758 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000530165652 877194251 /nfs/dbraw/zinc/19/42/51/877194251.db2.gz ZJYDFHBHJDTMGY-UHFFFAOYSA-N -1 3 399.491 3.759 20 0 GHADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000451013506 877233588 /nfs/dbraw/zinc/23/35/88/877233588.db2.gz JACKMOJQBCEYCB-SNVBAGLBSA-N -1 3 375.277 3.832 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(Cc3nc(C4CCCC4)no3)CC2)s1 ZINC000530162818 877234397 /nfs/dbraw/zinc/23/43/97/877234397.db2.gz AEZQIYOXLTZEHK-UHFFFAOYSA-N -1 3 375.494 3.942 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551473369 877259347 /nfs/dbraw/zinc/25/93/47/877259347.db2.gz LRUZORLQIPTDPP-JTQLQIEISA-N -1 3 392.702 3.995 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1OC ZINC000121551675 877312604 /nfs/dbraw/zinc/31/26/04/877312604.db2.gz QEEJPIORKFTCOO-CQSZACIVSA-N -1 3 394.518 3.577 20 0 GHADHM O=C([N-]c1cc(C2CC2)on1)c1scc(Br)c1Br ZINC000530275411 877431861 /nfs/dbraw/zinc/43/18/61/877431861.db2.gz BRZDZJKCBHLDKC-UHFFFAOYSA-N -1 3 392.072 3.813 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2)ccc1OC(C)C ZINC000451102558 877400315 /nfs/dbraw/zinc/40/03/15/877400315.db2.gz DHAIJBMQRVCHPN-UHFFFAOYSA-N -1 3 391.493 3.677 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)CSC(C)(C)C)cc1-c1nnn[n-]1 ZINC000825544491 877443253 /nfs/dbraw/zinc/44/32/53/877443253.db2.gz ACNPESCUAYPALO-LLVKDONJSA-N -1 3 378.502 3.767 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@H](C)CSC(C)(C)C)cc1-c1nn[n-]n1 ZINC000825544491 877443263 /nfs/dbraw/zinc/44/32/63/877443263.db2.gz ACNPESCUAYPALO-LLVKDONJSA-N -1 3 378.502 3.767 20 0 GHADHM CCc1ccc(CC)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000137666995 877586313 /nfs/dbraw/zinc/58/63/13/877586313.db2.gz RDRUNMYVLQTSOD-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1cccc2nsnc21 ZINC000615298151 877621919 /nfs/dbraw/zinc/62/19/19/877621919.db2.gz IXFDAPPGDFVTQL-GFCCVEGCSA-N -1 3 387.408 3.663 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NCc1ccccc1Cl ZINC000787844815 877663851 /nfs/dbraw/zinc/66/38/51/877663851.db2.gz ONHSBNQHOVIBLX-ZDUSSCGKSA-N -1 3 393.842 3.756 20 0 GHADHM Cc1cccc(S(=O)(=O)CCCOC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787844819 877664514 /nfs/dbraw/zinc/66/45/14/877664514.db2.gz OTMAPDOAFWSWPC-UHFFFAOYSA-N -1 3 394.464 3.570 20 0 GHADHM CC(C)CNC(=O)c1cccc(COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787847932 877669652 /nfs/dbraw/zinc/66/96/52/877669652.db2.gz JYBIMQZFJDYPPY-UHFFFAOYSA-N -1 3 387.451 3.983 20 0 GHADHM CN(C(=O)COC(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCCc2ccccc21 ZINC000787847921 877669689 /nfs/dbraw/zinc/66/96/89/877669689.db2.gz JCUSMOXPPSBOED-FQEVSTJZSA-N -1 3 399.462 3.933 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000665973768 877685264 /nfs/dbraw/zinc/68/52/64/877685264.db2.gz QYMKKPJPZZQSEY-UHFFFAOYSA-N -1 3 396.512 3.811 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCOc4ccccc4C3)cc2)cc(=O)[n-]1 ZINC000615508769 877806365 /nfs/dbraw/zinc/80/63/65/877806365.db2.gz ZVRPKHPWZADBQB-UHFFFAOYSA-N -1 3 376.416 3.584 20 0 GHADHM COc1ccc(-c2nnc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)s2)cc1 ZINC001183093414 912277428 /nfs/dbraw/zinc/27/74/28/912277428.db2.gz QBNZYLXTAVUUPI-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM O=C([O-])C1CCC(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000851694144 877868399 /nfs/dbraw/zinc/86/83/99/877868399.db2.gz VDCOTQXFJXQQGR-UHFFFAOYSA-N -1 3 398.547 3.925 20 0 GHADHM COc1ccccc1N1CC[C@@H](CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000788296883 877975539 /nfs/dbraw/zinc/97/55/39/877975539.db2.gz REEQPPOSXUGMDG-AWEZNQCLSA-N -1 3 382.485 3.872 20 0 GHADHM O=C(CNC(=O)c1cc2sccc2c([O-])c1)Nc1cccc2cccnc21 ZINC000788296403 877976508 /nfs/dbraw/zinc/97/65/08/877976508.db2.gz MTVDGWZPWROLFI-UHFFFAOYSA-N -1 3 377.425 3.524 20 0 GHADHM O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc2sccc2c([O-])c1 ZINC000788305900 877983081 /nfs/dbraw/zinc/98/30/81/877983081.db2.gz SCBRTMCTXVRETR-UHFFFAOYSA-N -1 3 388.533 3.619 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc2sccc2c([O-])c1 ZINC000788282387 877992845 /nfs/dbraw/zinc/99/28/45/877992845.db2.gz XIBRNOHAWVUDNN-QGZVFWFLSA-N -1 3 382.441 3.977 20 0 GHADHM O=C(CN1CCOc2ccc(Cl)cc21)Nc1ccc(Br)cc1[O-] ZINC000530572332 878089101 /nfs/dbraw/zinc/08/91/01/878089101.db2.gz TVNSKMFDEGJTLW-UHFFFAOYSA-N -1 3 397.656 3.646 20 0 GHADHM COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1 ZINC000788491999 878100238 /nfs/dbraw/zinc/10/02/38/878100238.db2.gz IIDXZBYRAGFJCO-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc(OC)c1[O-] ZINC000615821748 878175865 /nfs/dbraw/zinc/17/58/65/878175865.db2.gz SYOHRVMSLCYBDW-JTQLQIEISA-N -1 3 389.839 3.772 20 0 GHADHM C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000615821009 878176239 /nfs/dbraw/zinc/17/62/39/878176239.db2.gz PPFQIFIUUXXGMC-SECBINFHSA-N -1 3 375.885 3.502 20 0 GHADHM CC1(F)CC([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000451629424 878242240 /nfs/dbraw/zinc/24/22/40/878242240.db2.gz HDKVCYJBBWPFLB-UHFFFAOYSA-N -1 3 390.196 3.637 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)s1 ZINC000176559750 878309459 /nfs/dbraw/zinc/30/94/59/878309459.db2.gz NPPONGCESZSZRZ-JTQLQIEISA-N -1 3 392.481 3.993 20 0 GHADHM O=c1nc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000451699114 878319637 /nfs/dbraw/zinc/31/96/37/878319637.db2.gz UEBDVUNZWUOLIN-HZSPNIEDSA-N -1 3 385.489 3.640 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000068345798 878383522 /nfs/dbraw/zinc/38/35/22/878383522.db2.gz NKGMXQQOUQPMNB-FQEVSTJZSA-N -1 3 382.847 3.915 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c2ccccc12 ZINC000180157002 878572932 /nfs/dbraw/zinc/57/29/32/878572932.db2.gz VVIYZCLXIVAQNV-UHFFFAOYSA-N -1 3 397.500 3.973 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c(F)c1 ZINC000460823653 878625880 /nfs/dbraw/zinc/62/58/80/878625880.db2.gz KPJZUPHLPKLRBS-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](COc2ccccc2F)c2ccccc2)o1 ZINC000538006263 878660476 /nfs/dbraw/zinc/66/04/76/878660476.db2.gz MCIMCGNUAVCHCX-KRWDZBQOSA-N -1 3 375.421 3.826 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3n[nH]c4c3CCCCC4)nc(=O)c2c1C ZINC000789170031 878695424 /nfs/dbraw/zinc/69/54/24/878695424.db2.gz BMBJASQNOHDOHK-JTQLQIEISA-N -1 3 386.477 3.924 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3n[nH]c4c3CCCCC4)nc(=O)c2c1C ZINC000789170035 878695667 /nfs/dbraw/zinc/69/56/67/878695667.db2.gz BMBJASQNOHDOHK-SNVBAGLBSA-N -1 3 386.477 3.924 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](C(=O)OC(C)(C)C)c3ccccc3)cc(=O)oc12 ZINC000180278788 878736756 /nfs/dbraw/zinc/73/67/56/878736756.db2.gz MIORWEJPFZOFNQ-FQEVSTJZSA-N -1 3 395.455 3.980 20 0 GHADHM O=C([O-])C1=CC[C@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000853035891 878764599 /nfs/dbraw/zinc/76/45/99/878764599.db2.gz CEZVCAAZOXOCKO-ZDUSSCGKSA-N -1 3 379.279 3.836 20 0 GHADHM CS[C@H](C)CCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000538058219 878776102 /nfs/dbraw/zinc/77/61/02/878776102.db2.gz UMPOQSBAPIJRQL-GFCCVEGCSA-N -1 3 384.929 3.754 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCSC[C@@H]2C2CC2)s1 ZINC000888483274 878823601 /nfs/dbraw/zinc/82/36/01/878823601.db2.gz PAKHSGGSFIAAOQ-GFCCVEGCSA-N -1 3 383.539 3.848 20 0 GHADHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1c(F)c(F)cc(F)c1F ZINC000177804325 878861868 /nfs/dbraw/zinc/86/18/68/878861868.db2.gz HHICZSOECKVFCI-UHFFFAOYSA-N -1 3 384.310 3.876 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](Cc2ccc(C)cc2)c2ccccn2)s1 ZINC000460956977 878907909 /nfs/dbraw/zinc/90/79/09/878907909.db2.gz LIAUZQLTXGQVLK-QGZVFWFLSA-N -1 3 387.530 3.671 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)cc(Cl)c1F ZINC000616707192 879012998 /nfs/dbraw/zinc/01/29/98/879012998.db2.gz IRXFEMGYUTZARS-UHFFFAOYSA-N -1 3 393.733 3.707 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616725444 879040252 /nfs/dbraw/zinc/04/02/52/879040252.db2.gz WQQFYGZKGNICBD-JBACZVJFSA-N -1 3 378.472 3.654 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000311508885 879042547 /nfs/dbraw/zinc/04/25/47/879042547.db2.gz YSXSJTWPJXCUBR-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c1Cl ZINC000538284290 879142317 /nfs/dbraw/zinc/14/23/17/879142317.db2.gz XFEJRPVVEUICJF-GFCCVEGCSA-N -1 3 380.337 3.769 20 0 GHADHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000538281643 879179907 /nfs/dbraw/zinc/17/99/07/879179907.db2.gz BNPDYTSPJRBZLF-NSHDSACASA-N -1 3 399.862 3.826 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Br)[N-]c1cnc(CC2CC2)nc1 ZINC000789750337 879263159 /nfs/dbraw/zinc/26/31/59/879263159.db2.gz QZNXCKKKQCDHPQ-FPLPWBNLSA-N -1 3 394.294 3.604 20 0 GHADHM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3cccc(N(C)C)c3)c2C1 ZINC000493258942 879343171 /nfs/dbraw/zinc/34/31/71/879343171.db2.gz QMFMGDLKLODBQL-UHFFFAOYSA-N -1 3 387.549 3.915 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CC2CCC3(CC2)OCCO3)c([O-])c1 ZINC001183334901 912449169 /nfs/dbraw/zinc/44/91/69/912449169.db2.gz DCHAKFJXBLDZOX-UHFFFAOYSA-N -1 3 391.464 3.609 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1Br ZINC000493367874 879398631 /nfs/dbraw/zinc/39/86/31/879398631.db2.gz WEKNCLHOQQJKFL-DGCLKSJQSA-N -1 3 386.698 3.937 20 0 GHADHM Cc1cc2ccccc2nc1NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000853975847 879414067 /nfs/dbraw/zinc/41/40/67/879414067.db2.gz IVQPKMTYIWTYHU-UHFFFAOYSA-N -1 3 395.463 3.676 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000531254250 879441407 /nfs/dbraw/zinc/44/14/07/879441407.db2.gz XRWAMKGFTVVLDC-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790144008 879481415 /nfs/dbraw/zinc/48/14/15/879481415.db2.gz ADVBTCWRLYYYAO-VIFPVBQESA-N -1 3 378.675 3.605 20 0 GHADHM CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000531288952 879511557 /nfs/dbraw/zinc/51/15/57/879511557.db2.gz QTIBDELBHBUMMZ-UHFFFAOYSA-N -1 3 392.253 3.694 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2ccsc2Br)n1 ZINC000914257567 879514662 /nfs/dbraw/zinc/51/46/62/879514662.db2.gz UVJYPIAIMZCVQM-UHFFFAOYSA-N -1 3 395.369 3.710 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000790276355 879562515 /nfs/dbraw/zinc/56/25/15/879562515.db2.gz LGNWNROGVQEZKI-BBWFWOEESA-N -1 3 390.528 3.663 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCOCC1 ZINC000790327657 879600089 /nfs/dbraw/zinc/60/00/89/879600089.db2.gz KZIHBSDKHUJQTQ-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CN(Cc1nnc2n1CCCCC2)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000531329755 879628015 /nfs/dbraw/zinc/62/80/15/879628015.db2.gz PVHWLTVBBYKUJN-UHFFFAOYSA-N -1 3 392.459 3.775 20 0 GHADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493961929 879778333 /nfs/dbraw/zinc/77/83/33/879778333.db2.gz ROXDGIYTXDMKCV-WDEREUQCSA-N -1 3 396.734 3.586 20 0 GHADHM COc1ccc(C(=O)CCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1F ZINC000531432509 879828519 /nfs/dbraw/zinc/82/85/19/879828519.db2.gz IERHPKNYFBOYPY-UHFFFAOYSA-N -1 3 381.407 3.556 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)cc3Br)nc21 ZINC000494115031 879912158 /nfs/dbraw/zinc/91/21/58/879912158.db2.gz ABYWGQJTOFCARS-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000112627716 880051695 /nfs/dbraw/zinc/05/16/95/880051695.db2.gz MBLSXDXOQRKJKN-ZDUSSCGKSA-N -1 3 384.382 3.736 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)c(F)c1 ZINC000112627766 880051930 /nfs/dbraw/zinc/05/19/30/880051930.db2.gz FVJLGNUEJTWLCJ-HNNXBMFYSA-N -1 3 380.419 3.905 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1occc1COc1ccccc1 ZINC000183264851 880082024 /nfs/dbraw/zinc/08/20/24/880082024.db2.gz STZXVUIJJCHPTP-UHFFFAOYSA-N -1 3 392.390 3.959 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCc4ccccc43)cs2)c1 ZINC000183297708 880086518 /nfs/dbraw/zinc/08/65/18/880086518.db2.gz MDPBMRLTSCQKJW-UHFFFAOYSA-N -1 3 393.468 3.541 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCC=C(C)C)c2)c1 ZINC000790995511 880123331 /nfs/dbraw/zinc/12/33/31/880123331.db2.gz PPVHCKNDGQMVGG-UHFFFAOYSA-N -1 3 398.459 3.748 20 0 GHADHM CCc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c1[O-] ZINC000791132850 880235429 /nfs/dbraw/zinc/23/54/29/880235429.db2.gz NYXKRFYWIBLPMX-NRFANRHFSA-N -1 3 393.487 3.547 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1F ZINC000184175756 880240322 /nfs/dbraw/zinc/24/03/22/880240322.db2.gz RIVXRCQROJWIGR-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM COc1ccccc1CN1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000791348055 880345083 /nfs/dbraw/zinc/34/50/83/880345083.db2.gz CCOHBHWQIGRRSW-UHFFFAOYSA-N -1 3 382.485 3.574 20 0 GHADHM COC1(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCCC1 ZINC000791417572 880396724 /nfs/dbraw/zinc/39/67/24/880396724.db2.gz HXBUSXJLVABCSC-UHFFFAOYSA-N -1 3 379.254 3.955 20 0 GHADHM CCCCc1nc2ccc([N-]S(=O)(=O)c3csc(C(=O)OC)c3)cc2[nH]1 ZINC000531781234 880468943 /nfs/dbraw/zinc/46/89/43/880468943.db2.gz NYVUOSGTOCLELE-UHFFFAOYSA-N -1 3 393.490 3.554 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)c2ccccc21 ZINC000855762867 880730902 /nfs/dbraw/zinc/73/09/02/880730902.db2.gz HDZYCEYANHDPAM-AWEZNQCLSA-N -1 3 397.427 3.597 20 0 GHADHM Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000186179952 880813247 /nfs/dbraw/zinc/81/32/47/880813247.db2.gz AUDJFPBBJGTWGO-AWEZNQCLSA-N -1 3 376.250 3.564 20 0 GHADHM COc1cc(NC(=O)c2cc([O-])c3ccccc3c2)c(C(=O)N(C)C)cc1OC ZINC000792053015 880868597 /nfs/dbraw/zinc/86/85/97/880868597.db2.gz QDEFRWONOZLPBJ-UHFFFAOYSA-N -1 3 394.427 3.517 20 0 GHADHM O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cc([O-])c2ccccc2c1 ZINC000792036747 880887623 /nfs/dbraw/zinc/88/76/23/880887623.db2.gz WBOHHRLYARICKX-QGZVFWFLSA-N -1 3 390.439 3.707 20 0 GHADHM COc1cc(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2Cl)on1 ZINC000542479436 880946868 /nfs/dbraw/zinc/94/68/68/880946868.db2.gz VBYKQQAKHHVJSJ-UHFFFAOYSA-N -1 3 387.827 3.574 20 0 GHADHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792124834 880954268 /nfs/dbraw/zinc/95/42/68/880954268.db2.gz AWOPMPNDYUQEJV-OAQYLSRUSA-N -1 3 390.483 3.755 20 0 GHADHM CCOC(=O)[C@@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCc2ccccc21 ZINC000792176665 880965141 /nfs/dbraw/zinc/96/51/41/880965141.db2.gz WQAPOEPDZTWRFB-HSZRJFAPSA-N -1 3 375.424 3.680 20 0 GHADHM Cc1c(COc2ccccc2)cccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000286208765 912629717 /nfs/dbraw/zinc/62/97/17/912629717.db2.gz WSZPBSDYLYNPGV-OAHLLOKOSA-N -1 3 378.350 3.951 20 0 GHADHM CCc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186837614 881000694 /nfs/dbraw/zinc/00/06/94/881000694.db2.gz SXMHRJBQDYVRMV-OAHLLOKOSA-N -1 3 397.500 3.748 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1nc(Br)ccc1F ZINC000792275397 881029148 /nfs/dbraw/zinc/02/91/48/881029148.db2.gz GVWDHIDDRDQSBW-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM CC(C)c1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000132316566 881084927 /nfs/dbraw/zinc/08/49/27/881084927.db2.gz YKBTYCOBIGMMIO-UHFFFAOYSA-N -1 3 391.265 3.533 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nc4cccnc4s3)nc(=O)c2c1C ZINC000792384825 881092438 /nfs/dbraw/zinc/09/24/38/881092438.db2.gz NBWQFQJJEOUJJL-MRVPVSSYSA-N -1 3 386.458 3.936 20 0 GHADHM COc1cccc(-c2nsc([N-]C(=O)c3cc(C)nc(C(F)(F)F)n3)n2)c1 ZINC000187573211 881233190 /nfs/dbraw/zinc/23/31/90/881233190.db2.gz DAAUPWMUQRHMBR-UHFFFAOYSA-N -1 3 395.366 3.583 20 0 GHADHM CN(Cc1cc(Cl)cn1C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000119998535 881257006 /nfs/dbraw/zinc/25/70/06/881257006.db2.gz SDPSFDYCRGZENM-UHFFFAOYSA-N -1 3 388.880 3.869 20 0 GHADHM Cc1c(=O)c2cccc(C(=O)NCc3ncccc3[O-])c2oc1-c1ccccc1 ZINC000792610124 881332575 /nfs/dbraw/zinc/33/25/75/881332575.db2.gz MAMLDLOATMIXLB-UHFFFAOYSA-N -1 3 386.407 3.799 20 0 GHADHM O=C([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1cnc2ccccc2n1 ZINC001129745936 883171931 /nfs/dbraw/zinc/17/19/31/883171931.db2.gz SRBSADQDYZTJTN-UHFFFAOYSA-N -1 3 397.847 3.966 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000182294648 883214978 /nfs/dbraw/zinc/21/49/78/883214978.db2.gz MVWWXOXULGMKLR-ZDUSSCGKSA-N -1 3 399.834 3.821 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000135142168 883225767 /nfs/dbraw/zinc/22/57/67/883225767.db2.gz IRDWNELHZHFDCQ-UHFFFAOYSA-N -1 3 385.729 3.503 20 0 GHADHM COc1ccc2c(c1)CCC[C@@]2(NCc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC000551071040 883230198 /nfs/dbraw/zinc/23/01/98/883230198.db2.gz GTLPBMWDGPYEDE-NRFANRHFSA-N -1 3 387.863 3.690 20 0 GHADHM Cc1cccc([C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C(C)C)c1 ZINC000858878496 883423048 /nfs/dbraw/zinc/42/30/48/883423048.db2.gz CQLUVPDAXYURNV-KRWDZBQOSA-N -1 3 399.457 3.792 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000476955921 883461631 /nfs/dbraw/zinc/46/16/31/883461631.db2.gz XEOFHLIYZFYPAX-UHFFFAOYSA-N -1 3 381.505 3.760 20 0 GHADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000476980744 883499489 /nfs/dbraw/zinc/49/94/89/883499489.db2.gz NSPYXUIBPWSMLF-VIFPVBQESA-N -1 3 378.288 3.559 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000064476679 883500377 /nfs/dbraw/zinc/50/03/77/883500377.db2.gz DMLIBMALRKZYBJ-UHFFFAOYSA-N -1 3 391.468 3.575 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1cccc(Cl)c1F ZINC000032410097 883519976 /nfs/dbraw/zinc/51/99/76/883519976.db2.gz NXVATYDDULRFNI-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1ccc(Br)s1 ZINC000226375351 883525850 /nfs/dbraw/zinc/52/58/50/883525850.db2.gz IIWREBOTIJOPJJ-UHFFFAOYSA-N -1 3 386.745 3.747 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1c(F)cccc1-n1cccn1 ZINC001130060276 883554726 /nfs/dbraw/zinc/55/47/26/883554726.db2.gz GTXQFYONDZZCCC-UHFFFAOYSA-N -1 3 397.410 3.845 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(Cl)cc1Cl ZINC000747229190 883623643 /nfs/dbraw/zinc/62/36/43/883623643.db2.gz YYQNDSDSFIGTTI-SNVBAGLBSA-N -1 3 388.272 3.820 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000805303316 883715296 /nfs/dbraw/zinc/71/52/96/883715296.db2.gz LTFPPRRUDUVCHA-MRXNPFEDSA-N -1 3 376.497 3.864 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CCCC1)c1ccc(C(F)(F)F)cn1 ZINC000859393265 883792520 /nfs/dbraw/zinc/79/25/20/883792520.db2.gz SKEJIKAZRGVPJJ-UHFFFAOYSA-N -1 3 376.322 3.501 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(Cl)cc21)c1cccnc1C(F)(F)F ZINC000859403669 883798264 /nfs/dbraw/zinc/79/82/64/883798264.db2.gz GOZXTSUHULLDGB-GFCCVEGCSA-N -1 3 376.787 3.720 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2sccc2C)c(Cl)cc1Cl ZINC000747253943 883903046 /nfs/dbraw/zinc/90/30/46/883903046.db2.gz OQJBDMISVHRXSA-UHFFFAOYSA-N -1 3 394.301 3.628 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c(C)cc(Br)cc2Cl)c(=O)[n-]1 ZINC000194716919 883907349 /nfs/dbraw/zinc/90/73/49/883907349.db2.gz WQFXOVLLOOSNAR-UHFFFAOYSA-N -1 3 398.688 3.682 20 0 GHADHM COc1cc(C(=O)OCC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc(OC)c1[O-] ZINC000859607952 883938456 /nfs/dbraw/zinc/93/84/56/883938456.db2.gz VCZDCHLYFFXIMD-JQWIXIFHSA-N -1 3 390.354 3.504 20 0 GHADHM CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000859784501 884059271 /nfs/dbraw/zinc/05/92/71/884059271.db2.gz ITHHEASTBDJZPK-INIZCTEOSA-N -1 3 384.476 3.773 20 0 GHADHM CCCC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000859784502 884059567 /nfs/dbraw/zinc/05/95/67/884059567.db2.gz ITHHEASTBDJZPK-MRXNPFEDSA-N -1 3 384.476 3.773 20 0 GHADHM O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCc2c(=O)[n-]cnc2C1 ZINC000476196876 884260237 /nfs/dbraw/zinc/26/02/37/884260237.db2.gz ILKVKAXCJIUAGQ-UHFFFAOYSA-N -1 3 389.333 3.660 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000192603642 884284737 /nfs/dbraw/zinc/28/47/37/884284737.db2.gz MNKRFSFCANQVEA-KRWDZBQOSA-N -1 3 376.478 3.800 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(C=Cc4cccnc4)n3)n[n-]2)c1 ZINC000556329948 884490230 /nfs/dbraw/zinc/49/02/30/884490230.db2.gz DZDOQTJIAYACDI-SREVYHEPSA-N -1 3 395.220 3.850 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccncc2)C1)c1c(Cl)cccc1Cl ZINC000556323203 884500206 /nfs/dbraw/zinc/50/02/06/884500206.db2.gz PEFSIDYSXSMCEC-IUODEOHRSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C)c1 ZINC000914724679 884615012 /nfs/dbraw/zinc/61/50/12/884615012.db2.gz SHMFBIRLENRTGA-OAHLLOKOSA-N -1 3 392.496 3.620 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cs2)cc1 ZINC000898211976 884634305 /nfs/dbraw/zinc/63/43/05/884634305.db2.gz ABADSFJUSUTOCW-CQSZACIVSA-N -1 3 398.488 3.656 20 0 GHADHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221313 884638684 /nfs/dbraw/zinc/63/86/84/884638684.db2.gz JVUCMBWPIPCXIB-KBPBESRZSA-N -1 3 381.398 3.719 20 0 GHADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263327122 884667473 /nfs/dbraw/zinc/66/74/73/884667473.db2.gz KUABNJVZZDYKGB-NQBHXWOUSA-N -1 3 383.370 3.859 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000465472803 884676000 /nfs/dbraw/zinc/67/60/00/884676000.db2.gz QPDGBMXLPVRZOW-LLVKDONJSA-N -1 3 395.406 3.638 20 0 GHADHM CCOc1ccc(-c2nc(CC)c(C(=O)NCc3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000898261926 884683679 /nfs/dbraw/zinc/68/36/79/884683679.db2.gz OMSQSNNBYPANOP-UHFFFAOYSA-N -1 3 398.488 3.505 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Oc1ccc(C)nn1 ZINC000498511898 884700108 /nfs/dbraw/zinc/70/01/08/884700108.db2.gz WDVMDVAKCVKVOV-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046865 884803714 /nfs/dbraw/zinc/80/37/14/884803714.db2.gz QDPMGUMLUWQAFT-QMMMGPOBSA-N -1 3 391.201 3.976 20 0 GHADHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCCC1 ZINC000053333737 884984777 /nfs/dbraw/zinc/98/47/77/884984777.db2.gz XKZPVFRMHITCOU-UHFFFAOYSA-N -1 3 376.453 3.641 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000053463466 884999980 /nfs/dbraw/zinc/99/99/80/884999980.db2.gz KLGZSSTYYPJXCJ-NSHDSACASA-N -1 3 376.334 3.918 20 0 GHADHM CC(C)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nnc2ccccn21 ZINC000542545730 885075748 /nfs/dbraw/zinc/07/57/48/885075748.db2.gz YTRZEUTUDZCQKZ-QGZVFWFLSA-N -1 3 388.431 3.611 20 0 GHADHM COc1ccc([C@@H](NC(=O)COC(=O)c2cc3ccsc3[n-]2)C2CC2)cc1 ZINC000914891515 885117549 /nfs/dbraw/zinc/11/75/49/885117549.db2.gz REKVUOJKMWNYPD-SFHVURJKSA-N -1 3 384.457 3.662 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000193271150 885166870 /nfs/dbraw/zinc/16/68/70/885166870.db2.gz BLFBVDMBSDWWRF-KRWDZBQOSA-N -1 3 389.499 3.656 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc21 ZINC001127331778 885227288 /nfs/dbraw/zinc/22/72/88/885227288.db2.gz SCVREHOXJDFBQP-JKIFEVAISA-N -1 3 387.480 3.765 20 0 GHADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000052536987 885319224 /nfs/dbraw/zinc/31/92/24/885319224.db2.gz OIGPHSMWPCQXDX-UHFFFAOYSA-N -1 3 399.516 3.523 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4CC[C@H]3C)n[n-]2)o1 ZINC000919326774 885338288 /nfs/dbraw/zinc/33/82/88/885338288.db2.gz DHYRECIHNRHHEP-HIFRSBDPSA-N -1 3 393.443 3.891 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4CC[C@H]3C)[n-]n2)o1 ZINC000919326774 885338303 /nfs/dbraw/zinc/33/83/03/885338303.db2.gz DHYRECIHNRHHEP-HIFRSBDPSA-N -1 3 393.443 3.891 20 0 GHADHM O=C(Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1)C1CCC1 ZINC000131109213 885543866 /nfs/dbraw/zinc/54/38/66/885543866.db2.gz JTXHLXPISFJJQQ-UHFFFAOYSA-N -1 3 396.871 3.696 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3o2)cc1Cl ZINC000104735798 885592337 /nfs/dbraw/zinc/59/23/37/885592337.db2.gz UCJBSPYWCXFTMA-UHFFFAOYSA-N -1 3 396.827 3.662 20 0 GHADHM CCCCN1C(=O)CC[C@H](C(=O)Nc2ncccc2[O-])[C@@H]1c1ccccc1OC ZINC000476410024 885622461 /nfs/dbraw/zinc/62/24/61/885622461.db2.gz OUNKIZOELJZBPK-JXFKEZNVSA-N -1 3 397.475 3.514 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000649196949 885622519 /nfs/dbraw/zinc/62/25/19/885622519.db2.gz APIDMUCZFINNSX-GOSISDBHSA-N -1 3 383.448 3.736 20 0 GHADHM COc1ccc(N(Cc2cccs2)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118338194 885627570 /nfs/dbraw/zinc/62/75/70/885627570.db2.gz GRSFTTRAWBKNOS-UHFFFAOYSA-N -1 3 391.452 3.840 20 0 GHADHM CN(C(=O)c1nnc2ccccc2c1[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000807711455 885683811 /nfs/dbraw/zinc/68/38/11/885683811.db2.gz NASKBVUJUZBBNF-ROUUACIJSA-N -1 3 377.444 3.654 20 0 GHADHM CN(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807711454 885684085 /nfs/dbraw/zinc/68/40/85/885684085.db2.gz NASKBVUJUZBBNF-QZTJIDSGSA-N -1 3 377.444 3.654 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cnc3ccccc32)cc1)c1ccc2c(c1)OCO2 ZINC000476432881 885791242 /nfs/dbraw/zinc/79/12/42/885791242.db2.gz LXOWOLQNLLEJNE-UHFFFAOYSA-N -1 3 393.424 3.555 20 0 GHADHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1 ZINC000808116392 886028545 /nfs/dbraw/zinc/02/85/45/886028545.db2.gz SJHPBGSBDNXADL-FLIBITNWSA-N -1 3 389.473 3.607 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)CCc3cccc(Cl)c3)CCCCCC2)no1 ZINC000556809023 886216250 /nfs/dbraw/zinc/21/62/50/886216250.db2.gz OIOKGXWAJRWVCS-UHFFFAOYSA-N -1 3 397.928 3.743 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@@H]23)c1Cl ZINC000762528140 886343564 /nfs/dbraw/zinc/34/35/64/886343564.db2.gz OPEJCTHRQWADBE-WZRBSPASSA-N -1 3 398.402 3.960 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c(C)cn1 ZINC000532619752 886522685 /nfs/dbraw/zinc/52/26/85/886522685.db2.gz CJMQMLGCRZMDDG-UHFFFAOYSA-N -1 3 375.519 3.828 20 0 GHADHM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)n1 ZINC000132052200 886658541 /nfs/dbraw/zinc/65/85/41/886658541.db2.gz LOPAOYIFPJDWFY-UHFFFAOYSA-N -1 3 381.457 3.867 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)n[n-]c21 ZINC000808674189 886671007 /nfs/dbraw/zinc/67/10/07/886671007.db2.gz BZUVRBYXYCNAQG-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000808674189 886671013 /nfs/dbraw/zinc/67/10/13/886671013.db2.gz BZUVRBYXYCNAQG-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)n[n-]c21 ZINC000808675720 886674557 /nfs/dbraw/zinc/67/45/57/886674557.db2.gz QFKZPTLOWPLBOF-TZMCWYRMSA-N -1 3 399.472 3.542 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000808675720 886674563 /nfs/dbraw/zinc/67/45/63/886674563.db2.gz QFKZPTLOWPLBOF-TZMCWYRMSA-N -1 3 399.472 3.542 20 0 GHADHM CC(C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)=C1CCCC1 ZINC000176620662 886737380 /nfs/dbraw/zinc/73/73/80/886737380.db2.gz IWDOPYOOTNJALT-UHFFFAOYSA-N -1 3 376.400 3.906 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000762812373 886825624 /nfs/dbraw/zinc/82/56/24/886825624.db2.gz LUSCRCDHQXUXAO-UROBUVALSA-N -1 3 376.884 3.969 20 0 GHADHM COCO[C@@H](C)c1cc(F)c(C=Cc2nccc(=O)[n-]2)cc1Br ZINC000863185733 886909836 /nfs/dbraw/zinc/90/98/36/886909836.db2.gz AKBJYHICBUIXLV-FSIBCCDJSA-N -1 3 383.217 3.936 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C ZINC000863401338 887085905 /nfs/dbraw/zinc/08/59/05/887085905.db2.gz XXFBPWSUJFCKAG-UHFFFAOYSA-N -1 3 378.450 3.761 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1C ZINC000014025161 887122459 /nfs/dbraw/zinc/12/24/59/887122459.db2.gz TWKKZTIQCWGGLE-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM CCOC(=O)c1c([N-]c2cnc(N3CCCC3)nc2)onc1-c1ccccc1 ZINC001211928739 887138321 /nfs/dbraw/zinc/13/83/21/887138321.db2.gz LNRBSVZVKQVTRV-UHFFFAOYSA-N -1 3 379.420 3.652 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000128448684 887190043 /nfs/dbraw/zinc/19/00/43/887190043.db2.gz KMCQHSWRUZNWLE-HXUWFJFHSA-N -1 3 381.520 3.981 20 0 GHADHM CCC(CC)c1cc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)on1 ZINC000525063486 887276075 /nfs/dbraw/zinc/27/60/75/887276075.db2.gz XJYVMPKJAWRLSM-UHFFFAOYSA-N -1 3 395.481 3.601 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C(F)=C1CCCC1 ZINC000763014195 887545103 /nfs/dbraw/zinc/54/51/03/887545103.db2.gz CWRMMLYVDDHZOA-UHFFFAOYSA-N -1 3 380.363 3.813 20 0 GHADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000796005107 913164763 /nfs/dbraw/zinc/16/47/63/913164763.db2.gz OAZVFLKMPADPRP-UHFFFAOYSA-N -1 3 381.281 3.728 20 0 GHADHM CC(C)Cc1ncc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000794595230 887636773 /nfs/dbraw/zinc/63/67/73/887636773.db2.gz VKUJBHPIHVPVMC-FPLPWBNLSA-N -1 3 396.310 3.850 20 0 GHADHM COc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(OC)c(C)c1OC ZINC000794611603 887677755 /nfs/dbraw/zinc/67/77/55/887677755.db2.gz CBDOZBKGMAKZMX-UHFFFAOYSA-N -1 3 389.473 3.750 20 0 GHADHM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000532681087 887699333 /nfs/dbraw/zinc/69/93/33/887699333.db2.gz HEPIOCZZDONLBC-VFNWGFHPSA-N -1 3 385.485 3.969 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)c([O-])c1 ZINC000536621598 887708154 /nfs/dbraw/zinc/70/81/54/887708154.db2.gz UVRJSRAVQFGERO-UHFFFAOYSA-N -1 3 379.416 3.624 20 0 GHADHM COc1cc2c(cc1CNCc1cccc([O-])c1Br)O[C@H](C)C2 ZINC000459368098 887755874 /nfs/dbraw/zinc/75/58/74/887755874.db2.gz PAUVAAACWYINSS-LLVKDONJSA-N -1 3 378.266 3.777 20 0 GHADHM Cc1coc(-c2cccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)n1 ZINC000133582475 887779331 /nfs/dbraw/zinc/77/93/31/887779331.db2.gz LKRWAJZWKRZZSU-YWZLYKJASA-N -1 3 388.489 3.787 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)c1nc(C2CC2)no1 ZINC000809814179 887826595 /nfs/dbraw/zinc/82/65/95/887826595.db2.gz BRPRSWZEVSUQER-SFHVURJKSA-N -1 3 385.489 3.917 20 0 GHADHM O=C([O-])[C@]1(CNCc2sc(Sc3ccccc3)nc2Cl)CCCOC1 ZINC000864525132 887827128 /nfs/dbraw/zinc/82/71/28/887827128.db2.gz RSCUCHNOHPVRFO-KRWDZBQOSA-N -1 3 398.937 3.919 20 0 GHADHM COc1ccc(C[C@@H](CNCc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1F ZINC000864533511 887839083 /nfs/dbraw/zinc/83/90/83/887839083.db2.gz XXDGSJSNXYZAPC-ZDUSSCGKSA-N -1 3 380.485 3.621 20 0 GHADHM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC001211954893 887888746 /nfs/dbraw/zinc/88/87/46/887888746.db2.gz SWEBLBZOGUTNJU-VIFPVBQESA-N -1 3 375.302 3.556 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C ZINC000614844124 887952297 /nfs/dbraw/zinc/95/22/97/887952297.db2.gz WOLUTPWGNPYLSM-UHFFFAOYSA-N -1 3 375.368 3.853 20 0 GHADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(Br)cc1F ZINC000794735810 887972557 /nfs/dbraw/zinc/97/25/57/887972557.db2.gz KUADCTFZKHIZGM-KXUVPBGPSA-N -1 3 389.224 3.550 20 0 GHADHM O=C1[N-]C(=O)C(=CNC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000794734566 887972590 /nfs/dbraw/zinc/97/25/90/887972590.db2.gz ACRUUULCERHVOP-PYIVIEQSSA-N -1 3 396.874 3.708 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000055106801 888086129 /nfs/dbraw/zinc/08/61/29/888086129.db2.gz PNHYUSMOZLNTSZ-JTQLQIEISA-N -1 3 377.238 3.604 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000055109960 888087168 /nfs/dbraw/zinc/08/71/68/888087168.db2.gz JZLPZTPZXZVKRO-AWEZNQCLSA-N -1 3 395.484 3.980 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c1 ZINC000055314745 888136287 /nfs/dbraw/zinc/13/62/87/888136287.db2.gz USPWKTOKTPEORG-HNNXBMFYSA-N -1 3 384.476 3.889 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000614852819 888271607 /nfs/dbraw/zinc/27/16/07/888271607.db2.gz QXEDYRJPWDTMDR-UHFFFAOYSA-N -1 3 375.425 3.519 20 0 GHADHM CC(C)CCn1c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865346713 888308919 /nfs/dbraw/zinc/30/89/19/888308919.db2.gz UPURJVJVUIZHMZ-UHFFFAOYSA-N -1 3 384.505 3.943 20 0 GHADHM CN(C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccccc1 ZINC000032896241 888310124 /nfs/dbraw/zinc/31/01/24/888310124.db2.gz CWSNRWFYILRZBD-UHFFFAOYSA-N -1 3 399.299 3.711 20 0 GHADHM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000056009352 888331307 /nfs/dbraw/zinc/33/13/07/888331307.db2.gz ZCIQCQJNENIBHK-UHFFFAOYSA-N -1 3 396.393 3.541 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000195489160 888670581 /nfs/dbraw/zinc/67/05/81/888670581.db2.gz ZJAJCCRCPKNOTO-UHFFFAOYSA-N -1 3 381.457 3.717 20 0 GHADHM O=c1[n-]c(CN[C@H]2CC3(CCCCC3)Oc3ccccc32)nc2c1COCC2 ZINC000866628455 888978613 /nfs/dbraw/zinc/97/86/13/888978613.db2.gz JIVHVQPNWHHJBW-SFHVURJKSA-N -1 3 381.476 3.571 20 0 GHADHM CC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc2cc(OC)ccc2c1 ZINC000866627869 888978855 /nfs/dbraw/zinc/97/88/55/888978855.db2.gz GLWZHOGNYZOOPR-IBGZPJMESA-N -1 3 379.460 3.658 20 0 GHADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[N-]c1nc2cnccn2n1 ZINC001132527894 889019141 /nfs/dbraw/zinc/01/91/41/889019141.db2.gz UZCCLTMURZDXCF-UHFFFAOYSA-N -1 3 389.202 3.647 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1cccc(C2CC2)c1 ZINC001211978161 889052798 /nfs/dbraw/zinc/05/27/98/889052798.db2.gz BEIFLRPEAYIESM-SHACYNPGSA-N -1 3 384.567 3.890 20 0 GHADHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)s1 ZINC000543727967 889149961 /nfs/dbraw/zinc/14/99/61/889149961.db2.gz MPTJMUSINXMWDH-UHFFFAOYSA-N -1 3 395.893 3.771 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccccn3)n2-c2ccccc2)n1 ZINC000123704709 889372663 /nfs/dbraw/zinc/37/26/63/889372663.db2.gz OFUGEYXZNLXERC-AWEZNQCLSA-N -1 3 390.472 3.987 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1n1ccnc1 ZINC000123943585 889454170 /nfs/dbraw/zinc/45/41/70/889454170.db2.gz GGYCJYMPYOWWQN-LAUBAEHRSA-N -1 3 375.472 3.903 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC)ccc2C)cc1 ZINC000063173234 889517664 /nfs/dbraw/zinc/51/76/64/889517664.db2.gz YPFVKPIJDHVBQT-UHFFFAOYSA-N -1 3 390.505 3.724 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811395086 889536509 /nfs/dbraw/zinc/53/65/09/889536509.db2.gz USLSYZURCKHGHC-UHFFFAOYSA-N -1 3 391.836 3.637 20 0 GHADHM O=c1[n-]c(SCc2csc(C3CC3)n2)nc2c1cnn2-c1ccccc1 ZINC000124195503 889541999 /nfs/dbraw/zinc/54/19/99/889541999.db2.gz AYTPFVXZLAEWLH-UHFFFAOYSA-N -1 3 381.486 3.735 20 0 GHADHM CC[C@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC000868778373 889591790 /nfs/dbraw/zinc/59/17/90/889591790.db2.gz WENQPXXFTGNCQM-ZFWWWQNUSA-N -1 3 383.414 3.557 20 0 GHADHM Cc1cc(Br)cc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811514066 889709889 /nfs/dbraw/zinc/70/98/89/889709889.db2.gz BBNSDCJCDOHFRJ-GFCCVEGCSA-N -1 3 393.247 3.648 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2cc(Br)ccc2o1 ZINC000125268752 889931029 /nfs/dbraw/zinc/93/10/29/889931029.db2.gz LDJVMPGDLIHGHH-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2cc(Br)ccc2o1 ZINC000125268752 889931037 /nfs/dbraw/zinc/93/10/37/889931037.db2.gz LDJVMPGDLIHGHH-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1=O ZINC000125278894 889935639 /nfs/dbraw/zinc/93/56/39/889935639.db2.gz XAIVKJVHBSPPKI-NSHDSACASA-N -1 3 394.349 3.554 20 0 GHADHM Cc1cc(=O)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000125330958 889955588 /nfs/dbraw/zinc/95/55/88/889955588.db2.gz VYESZGJRKSFCJQ-UHFFFAOYSA-N -1 3 389.333 3.518 20 0 GHADHM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125396741 889979906 /nfs/dbraw/zinc/97/99/06/889979906.db2.gz VEMKTYIRVWPMAU-UHFFFAOYSA-N -1 3 394.349 3.777 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)c(C)c1 ZINC000811829055 890013173 /nfs/dbraw/zinc/01/31/73/890013173.db2.gz IYQXGXXAHJRZPF-UHFFFAOYSA-N -1 3 396.459 3.775 20 0 GHADHM CCCCCC(C)(C)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811891851 890091439 /nfs/dbraw/zinc/09/14/39/890091439.db2.gz XNBFYIGYAUVDAX-CQSZACIVSA-N -1 3 379.467 3.693 20 0 GHADHM Cc1cc(C)c(O)c(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC001170655263 890166001 /nfs/dbraw/zinc/16/60/01/890166001.db2.gz HPQLAYPTXJVCPM-UHFFFAOYSA-N -1 3 387.233 3.865 20 0 GHADHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001184781424 913429437 /nfs/dbraw/zinc/42/94/37/913429437.db2.gz OTGUHZOJKYAQMY-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCc1nnc([N-]C(=O)c2n[nH]c(-c3ccccc3)c2Br)s1 ZINC000065108571 890301804 /nfs/dbraw/zinc/30/18/04/890301804.db2.gz CIERZJOCAZXFKS-UHFFFAOYSA-N -1 3 378.255 3.505 20 0 GHADHM CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126102449 890368762 /nfs/dbraw/zinc/36/87/62/890368762.db2.gz MYIJADOZIPTUDR-UHFFFAOYSA-N -1 3 397.244 3.514 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812278459 890496658 /nfs/dbraw/zinc/49/66/58/890496658.db2.gz GHWOEJGPDCEYDG-HOTGVXAUSA-N -1 3 376.463 3.900 20 0 GHADHM Cc1cccc(C(=O)NC2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)c1 ZINC000870836670 890534256 /nfs/dbraw/zinc/53/42/56/890534256.db2.gz LDCADYNAYJLPRB-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126497239 890565854 /nfs/dbraw/zinc/56/58/54/890565854.db2.gz RDJLFHXJMLZIDA-UHFFFAOYSA-N -1 3 391.265 3.889 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncnc3c2cnn3Cc2ccccc2)n1 ZINC000126524918 890577584 /nfs/dbraw/zinc/57/75/84/890577584.db2.gz HPVBFWSJRGMLGC-ZDUSSCGKSA-N -1 3 378.461 3.532 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncnc3c2cnn3Cc2ccccc2)n1 ZINC000126524659 890577991 /nfs/dbraw/zinc/57/79/91/890577991.db2.gz HPVBFWSJRGMLGC-CYBMUJFWSA-N -1 3 378.461 3.532 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2c(C)cccc2C)cc1Cl ZINC000123435751 890596455 /nfs/dbraw/zinc/59/64/55/890596455.db2.gz BWYJLHOBGSXGBB-UHFFFAOYSA-N -1 3 384.860 3.533 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000126681727 890644642 /nfs/dbraw/zinc/64/46/42/890644642.db2.gz GVZRSVBSHXBCMJ-SCLBCKFNSA-N -1 3 393.418 3.770 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)O1 ZINC000871315442 890750444 /nfs/dbraw/zinc/75/04/44/890750444.db2.gz IXBAEKKIRJDVSB-RBSFLKMASA-N -1 3 398.425 3.533 20 0 GHADHM CC(=O)C(C)(C)CCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316428 890751325 /nfs/dbraw/zinc/75/13/25/890751325.db2.gz VWTWWYFQPOTCPO-CQSZACIVSA-N -1 3 398.425 3.581 20 0 GHADHM CCCCc1nc2ccc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)cc2[nH]1 ZINC000065904126 890758379 /nfs/dbraw/zinc/75/83/79/890758379.db2.gz LUSSPKQTFCAGEO-UHFFFAOYSA-N -1 3 399.520 3.590 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2cccc(Cl)c2)no1)c1cccnc1Cl ZINC001184899451 913491862 /nfs/dbraw/zinc/49/18/62/913491862.db2.gz GLAQZLFJNQQLII-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM C/C=C/c1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000497322516 890839023 /nfs/dbraw/zinc/83/90/23/890839023.db2.gz LTILQNIDSRIKSV-NSCUHMNNSA-N -1 3 399.925 3.535 20 0 GHADHM O=C([O-])CC[C@H]1CCCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000871621571 890944854 /nfs/dbraw/zinc/94/48/54/890944854.db2.gz HTCIOSIMVJYLID-CQSZACIVSA-N -1 3 381.398 3.968 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Br)c2c(c1)OCCO2 ZINC000533618281 890945056 /nfs/dbraw/zinc/94/50/56/890945056.db2.gz AJYRISUKIPNFIM-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)s1 ZINC000066484659 890964002 /nfs/dbraw/zinc/96/40/02/890964002.db2.gz IWEYSDVIGZDYOU-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM C[C@H]1CC=C(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000455468923 890993969 /nfs/dbraw/zinc/99/39/69/890993969.db2.gz VOCDEEDQAATQTA-JTQLQIEISA-N -1 3 376.400 3.762 20 0 GHADHM CC(C)(CCNCc1cccc(F)c1I)CCC(=O)[O-] ZINC000871877569 891069178 /nfs/dbraw/zinc/06/91/78/891069178.db2.gz NBOBBNOBYFYLGY-UHFFFAOYSA-N -1 3 393.240 3.801 20 0 GHADHM C[C@@H](CCCCC(=O)[O-])NCc1cccc(F)c1I ZINC000871877628 891069279 /nfs/dbraw/zinc/06/92/79/891069279.db2.gz PPCWRSNRSHWMRZ-JTQLQIEISA-N -1 3 379.213 3.553 20 0 GHADHM C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([O-])c1F ZINC000872027158 891124247 /nfs/dbraw/zinc/12/42/47/891124247.db2.gz ICMWQMYVKVAZEG-OAGGEKHMSA-N -1 3 386.467 3.632 20 0 GHADHM C[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc([O-])c1F ZINC000872071012 891138440 /nfs/dbraw/zinc/13/84/40/891138440.db2.gz YPFQCTADGWAECF-DMZKTXOQSA-N -1 3 397.450 3.607 20 0 GHADHM C[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc([O-])c1F ZINC000872071018 891138472 /nfs/dbraw/zinc/13/84/72/891138472.db2.gz YPFQCTADGWAECF-XMHCIUCPSA-N -1 3 397.450 3.607 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 ZINC000067068885 891179666 /nfs/dbraw/zinc/17/96/66/891179666.db2.gz NYWYXTYGWFTNPZ-UHFFFAOYSA-N -1 3 381.476 3.686 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(Br)c1 ZINC000105591948 891255318 /nfs/dbraw/zinc/25/53/18/891255318.db2.gz DVALJGYJNZBDLX-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CCOc1cc([C@H]2Nc3ccccc3C(=O)N2CCOC)cc(Cl)c1[O-] ZINC000644897769 913538179 /nfs/dbraw/zinc/53/81/79/913538179.db2.gz QNAURDNMTDKKSN-SFHVURJKSA-N -1 3 376.840 3.657 20 0 GHADHM [O-]c1ccc(Nc2cnc(Br)c(Br)n2)c(F)c1F ZINC001212005290 891289804 /nfs/dbraw/zinc/28/98/04/891289804.db2.gz FRWFPLYRUIASPU-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CCc1n[nH]c2ccccc12 ZINC000825626918 891346150 /nfs/dbraw/zinc/34/61/50/891346150.db2.gz QSNDZFYZKWSHHR-ZDUSSCGKSA-N -1 3 377.452 3.575 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825648838 891446332 /nfs/dbraw/zinc/44/63/32/891446332.db2.gz DKEUZBMNPMHCCP-WMLDXEAASA-N -1 3 398.854 3.596 20 0 GHADHM CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825648838 891446335 /nfs/dbraw/zinc/44/63/35/891446335.db2.gz DKEUZBMNPMHCCP-WMLDXEAASA-N -1 3 398.854 3.596 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2sc(Br)nc2C)c(F)cc1F ZINC000813394716 891569722 /nfs/dbraw/zinc/56/97/22/891569722.db2.gz KQTQREOEZGEBEJ-UHFFFAOYSA-N -1 3 391.193 3.531 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)c3ccc(Cl)cc3)c2)n1 ZINC000813414010 891592559 /nfs/dbraw/zinc/59/25/59/891592559.db2.gz RGYOLYJFSPYQGH-SFHVURJKSA-N -1 3 383.835 3.737 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000128329762 891673744 /nfs/dbraw/zinc/67/37/44/891673744.db2.gz UZMXOLOILNAHQC-UHFFFAOYSA-N -1 3 391.836 3.809 20 0 GHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000873644700 891723220 /nfs/dbraw/zinc/72/32/20/891723220.db2.gz QVOVXXXGNNITMI-XBFCOCLRSA-N -1 3 382.291 3.978 20 0 GHADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000162016401 891973944 /nfs/dbraw/zinc/97/39/44/891973944.db2.gz DUTZTKDLEXUTRV-VIFPVBQESA-N -1 3 378.288 3.559 20 0 GHADHM Cc1nnc([N-]C(=O)c2cc(Br)sc2Br)s1 ZINC000116618699 892006817 /nfs/dbraw/zinc/00/68/17/892006817.db2.gz AHVDYXVWAAGEFP-UHFFFAOYSA-N -1 3 383.090 3.685 20 0 GHADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)cc1 ZINC001134127805 892322496 /nfs/dbraw/zinc/32/24/96/892322496.db2.gz DXHSHXLIQIGIQD-UHFFFAOYSA-N -1 3 375.226 3.744 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000917737502 892449561 /nfs/dbraw/zinc/44/95/61/892449561.db2.gz DZIBJVNRIXJNQQ-UHFFFAOYSA-N -1 3 391.489 3.834 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Br)cc1 ZINC001134273973 892557660 /nfs/dbraw/zinc/55/76/60/892557660.db2.gz GQROZGJFNMLLEI-LBPRGKRZSA-N -1 3 385.261 3.824 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)ccc1-c1cnco1 ZINC001185134394 913689353 /nfs/dbraw/zinc/68/93/53/913689353.db2.gz VODJQHRVSKIZLO-UHFFFAOYSA-N -1 3 380.372 3.570 20 0 GHADHM COC(=O)c1cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c[n-]1 ZINC000814532322 892832006 /nfs/dbraw/zinc/83/20/06/892832006.db2.gz RWAFUTPFKCHEGB-UHFFFAOYSA-N -1 3 386.448 3.844 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c[n-]1 ZINC000814530698 892832085 /nfs/dbraw/zinc/83/20/85/892832085.db2.gz DVURFHOGDAWNQW-UHFFFAOYSA-N -1 3 396.186 3.515 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1ccc(Br)s1 ZINC000068838862 892832136 /nfs/dbraw/zinc/83/21/36/892832136.db2.gz BWRTWGPXHLTZIQ-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM O=C(Cc1cscc1Br)OCc1noc(-c2ccccc2[O-])n1 ZINC000814564848 892874142 /nfs/dbraw/zinc/87/41/42/892874142.db2.gz BKAIIDPJAPEMJA-UHFFFAOYSA-N -1 3 395.234 3.552 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C3(C)CCCC3)cs2)c1 ZINC000428663801 893085029 /nfs/dbraw/zinc/08/50/29/893085029.db2.gz KPCVULRCCMDRLO-UHFFFAOYSA-N -1 3 387.505 3.743 20 0 GHADHM COc1cc(C(=O)NCc2sc(-c3ccccc3)nc2C)cc(OC)c1[O-] ZINC000162753949 893119548 /nfs/dbraw/zinc/11/95/48/893119548.db2.gz KUMGRXSQMXDZNT-UHFFFAOYSA-N -1 3 384.457 3.771 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1c(F)cccc1I ZINC000129189282 893147531 /nfs/dbraw/zinc/14/75/31/893147531.db2.gz JDNVZMGQNABDGT-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cc2nc(Cl)ncc2s1 ZINC001185233588 913745859 /nfs/dbraw/zinc/74/58/59/913745859.db2.gz WSXVRKQAWOJHOV-UHFFFAOYSA-N -1 3 379.894 3.702 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3nsc4ccc(C)cc43)nc21 ZINC001134753463 893288754 /nfs/dbraw/zinc/28/87/54/893288754.db2.gz NBZXELNKEVEMSH-UHFFFAOYSA-N -1 3 380.429 3.910 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)/C=C3\CC[C@H](C)C3)[n-]c2c(Br)c1 ZINC001134789140 893305620 /nfs/dbraw/zinc/30/56/20/893305620.db2.gz OBLRRXDZHSKLAS-CMWXKVOJSA-N -1 3 392.253 3.797 20 0 GHADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Cl)c(Br)c1 ZINC000191182440 893421705 /nfs/dbraw/zinc/42/17/05/893421705.db2.gz SCYPGMVPUMTINL-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM CC(=O)N1CC[C@H](NCc2cccc([O-])c2Br)c2ccccc21 ZINC000459442960 893533255 /nfs/dbraw/zinc/53/32/55/893533255.db2.gz POMGCPKQWTZWCF-HNNXBMFYSA-N -1 3 375.266 3.742 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc2ccccc2s1)c1cc(F)ccc1Cl ZINC000126427539 893540771 /nfs/dbraw/zinc/54/07/71/893540771.db2.gz FIYWPIULDPQPFY-ZDUSSCGKSA-N -1 3 385.869 3.706 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCc2ccccc2Cl)cc1 ZINC000918488655 893767842 /nfs/dbraw/zinc/76/78/42/893767842.db2.gz IJPYBXOLZBUICA-UHFFFAOYSA-N -1 3 397.880 3.612 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(OCCc3ccccc3)CC2)o1 ZINC000878001015 893936782 /nfs/dbraw/zinc/93/67/82/893936782.db2.gz PLYNABAMCLISNE-UHFFFAOYSA-N -1 3 379.460 3.666 20 0 GHADHM CN(c1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)cs1)C1CC1 ZINC000826010038 893990369 /nfs/dbraw/zinc/99/03/69/893990369.db2.gz BEFAECBLCJMIIX-UHFFFAOYSA-N -1 3 378.914 3.868 20 0 GHADHM CN(c1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)cs1)C1CC1 ZINC000826010038 893990383 /nfs/dbraw/zinc/99/03/83/893990383.db2.gz BEFAECBLCJMIIX-UHFFFAOYSA-N -1 3 378.914 3.868 20 0 GHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(CN2CCC(C)CC2)cs1 ZINC000748022804 894145521 /nfs/dbraw/zinc/14/55/21/894145521.db2.gz SWCVXQWUVKPAJW-UHFFFAOYSA-N -1 3 388.415 3.943 20 0 GHADHM CC(C)Oc1cc(CN(Cc2nnc(-c3ccccc3[O-])o2)C2CC2)ccn1 ZINC000878295980 894172247 /nfs/dbraw/zinc/17/22/47/894172247.db2.gz YWFQTUPGFRPIRZ-UHFFFAOYSA-N -1 3 380.448 3.789 20 0 GHADHM CC(C)(C)[C@H](NCc1nnc(-c2ccccc2[O-])o1)C(=O)OCc1ccccc1 ZINC000878382534 894247415 /nfs/dbraw/zinc/24/74/15/894247415.db2.gz RDNKARHDLYHWFR-LJQANCHMSA-N -1 3 395.459 3.690 20 0 GHADHM CCOCCN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCc2ccccc21 ZINC000879051881 894806928 /nfs/dbraw/zinc/80/69/28/894806928.db2.gz FGKUWUHTQCAYAS-LJQANCHMSA-N -1 3 379.460 3.968 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000564461171 895011160 /nfs/dbraw/zinc/01/11/60/895011160.db2.gz IRNQLRWLWAYTPM-ZDUSSCGKSA-N -1 3 386.395 3.822 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C(C)C)c2)cc1OC ZINC000666865747 895064444 /nfs/dbraw/zinc/06/44/44/895064444.db2.gz YYGSOFOWHZEBIT-UHFFFAOYSA-N -1 3 376.478 3.833 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000816973136 895232634 /nfs/dbraw/zinc/23/26/34/895232634.db2.gz KHANCMBBHBZUJM-CYBMUJFWSA-N -1 3 388.386 3.540 20 0 GHADHM COCCCOc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001137146904 895353105 /nfs/dbraw/zinc/35/31/05/895353105.db2.gz BEHMVAFGNYVWEA-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@@H](F)C1 ZINC000565487970 895670972 /nfs/dbraw/zinc/67/09/72/895670972.db2.gz ILYBGHXGVYADII-SECBINFHSA-N -1 3 387.636 3.518 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)c(=O)[n-]1 ZINC000565570018 895731045 /nfs/dbraw/zinc/73/10/45/895731045.db2.gz CAWCNKZQAAUPGA-QGZVFWFLSA-N -1 3 380.275 3.916 20 0 GHADHM Cc1c2ccccc2nc(NC2CCN([C@H](C)c3ccncc3)CC2)c1C(=O)[O-] ZINC000565835892 895919502 /nfs/dbraw/zinc/91/95/02/895919502.db2.gz JPVHYPNRTBEEMY-MRXNPFEDSA-N -1 3 390.487 3.696 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c([O-])c1 ZINC000565835034 895919615 /nfs/dbraw/zinc/91/96/15/895919615.db2.gz BKAPYSIRPZWQJL-SFHVURJKSA-N -1 3 398.478 3.652 20 0 GHADHM CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC001136039572 895942601 /nfs/dbraw/zinc/94/26/01/895942601.db2.gz UDLOQEGOWGRTTI-UHFFFAOYSA-N -1 3 381.451 3.757 20 0 GHADHM CCc1cc2c(nc(C)nc2NCc2c(F)cccc2[N-]S(C)(=O)=O)s1 ZINC001185693073 914022834 /nfs/dbraw/zinc/02/28/34/914022834.db2.gz KWXNQNIWBPAINB-UHFFFAOYSA-N -1 3 394.497 3.685 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000566298532 896223369 /nfs/dbraw/zinc/22/33/69/896223369.db2.gz ZVDAUIFYVRCQKY-UHFFFAOYSA-N -1 3 376.460 3.850 20 0 GHADHM COc1ccccc1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826218002 896414354 /nfs/dbraw/zinc/41/43/54/896414354.db2.gz KWJLBELWTJNCHA-UHFFFAOYSA-N -1 3 394.378 3.869 20 0 GHADHM COc1ccccc1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826218002 896414365 /nfs/dbraw/zinc/41/43/65/896414365.db2.gz KWJLBELWTJNCHA-UHFFFAOYSA-N -1 3 394.378 3.869 20 0 GHADHM CSCCCCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826228630 896567515 /nfs/dbraw/zinc/56/75/15/896567515.db2.gz VRUURPLJJVPLPQ-UHFFFAOYSA-N -1 3 384.962 3.730 20 0 GHADHM CSCCCCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826228630 896567528 /nfs/dbraw/zinc/56/75/28/896567528.db2.gz VRUURPLJJVPLPQ-UHFFFAOYSA-N -1 3 384.962 3.730 20 0 GHADHM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136220247 896716280 /nfs/dbraw/zinc/71/62/80/896716280.db2.gz UZNNELGLMHYAIY-OAHLLOKOSA-N -1 3 390.233 3.826 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2ccc3c(c2)OCO3)CC1 ZINC001136220268 896716516 /nfs/dbraw/zinc/71/65/16/896716516.db2.gz VUKOLRKTIIRHMH-UHFFFAOYSA-N -1 3 376.206 3.554 20 0 GHADHM O=C(Nc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)c1cccs1 ZINC000025199088 896763819 /nfs/dbraw/zinc/76/38/19/896763819.db2.gz ADAPIDWIKYMKAD-SFQUDFHCSA-N -1 3 389.436 3.723 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000041880127 896877024 /nfs/dbraw/zinc/87/70/24/896877024.db2.gz UHTZZMNGQAOZDS-UHFFFAOYSA-N -1 3 377.488 3.899 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826287916 896942208 /nfs/dbraw/zinc/94/22/08/896942208.db2.gz JGASRRGSPKAZHK-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM Cc1ccc(CNC(=O)[C@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826287916 896942212 /nfs/dbraw/zinc/94/22/12/896942212.db2.gz JGASRRGSPKAZHK-LBPRGKRZSA-N -1 3 387.896 3.626 20 0 GHADHM CC[C@@]1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC000819825235 897012137 /nfs/dbraw/zinc/01/21/37/897012137.db2.gz QXNMZYMAYVYZBM-FQEVSTJZSA-N -1 3 376.453 3.713 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCCc2ccccc2C(F)(F)F)c1 ZINC000820020547 897091016 /nfs/dbraw/zinc/09/10/16/897091016.db2.gz BUVLITKMLDMFPR-SANMLTNESA-N -1 3 386.391 3.608 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000820116629 897171570 /nfs/dbraw/zinc/17/15/70/897171570.db2.gz KXWGTCFGHONZON-SIKLNZKXSA-N -1 3 390.491 3.517 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000820116629 897171582 /nfs/dbraw/zinc/17/15/82/897171582.db2.gz KXWGTCFGHONZON-SIKLNZKXSA-N -1 3 390.491 3.517 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000820231371 897231418 /nfs/dbraw/zinc/23/14/18/897231418.db2.gz MIHSPMCPWXXWNC-UHFFFAOYSA-N -1 3 393.512 3.620 20 0 GHADHM Cc1ccc2nc(SCc3cc(=O)oc4c(C)c([O-])ccc34)n(C)c(=O)c2c1 ZINC000042178023 897259905 /nfs/dbraw/zinc/25/99/05/897259905.db2.gz RDFZFSCLRMYFHX-UHFFFAOYSA-N -1 3 394.452 3.655 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340481 897279197 /nfs/dbraw/zinc/27/91/97/897279197.db2.gz LKDWBVULFFMDNJ-BEFAXECRSA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340481 897279212 /nfs/dbraw/zinc/27/92/12/897279212.db2.gz LKDWBVULFFMDNJ-BEFAXECRSA-N -1 3 378.480 3.966 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349805 897286450 /nfs/dbraw/zinc/28/64/50/897286450.db2.gz IQMKQXIOMANCQZ-OXQOHEQNSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349805 897286465 /nfs/dbraw/zinc/28/64/65/897286465.db2.gz IQMKQXIOMANCQZ-OXQOHEQNSA-N -1 3 390.491 3.735 20 0 GHADHM CN(CCCNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1F ZINC001136348974 897375398 /nfs/dbraw/zinc/37/53/98/897375398.db2.gz CEQXSXSQVGDUSG-UHFFFAOYSA-N -1 3 381.245 3.550 20 0 GHADHM Cc1ccccc1NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826307288 897380769 /nfs/dbraw/zinc/38/07/69/897380769.db2.gz BMVUZSNZGHPBQV-UHFFFAOYSA-N -1 3 394.826 3.658 20 0 GHADHM Cc1ccccc1NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826307288 897380786 /nfs/dbraw/zinc/38/07/86/897380786.db2.gz BMVUZSNZGHPBQV-UHFFFAOYSA-N -1 3 394.826 3.658 20 0 GHADHM Cc1ccncc1C=CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826315795 897508582 /nfs/dbraw/zinc/50/85/82/897508582.db2.gz ULAYNVNIQHUWSL-DHZHZOJOSA-N -1 3 383.411 3.856 20 0 GHADHM Cc1ccncc1C=CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826315795 897508590 /nfs/dbraw/zinc/50/85/90/897508590.db2.gz ULAYNVNIQHUWSL-DHZHZOJOSA-N -1 3 383.411 3.856 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC001136372023 897530658 /nfs/dbraw/zinc/53/06/58/897530658.db2.gz MKUXYWOHKCLYOA-UHFFFAOYSA-N -1 3 393.468 3.691 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(-c2ccccc2)s1 ZINC000826323960 897599276 /nfs/dbraw/zinc/59/92/76/897599276.db2.gz ZDSRGTKYXOIMQL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(-c2ccccc2)s1 ZINC000826323960 897599288 /nfs/dbraw/zinc/59/92/88/897599288.db2.gz ZDSRGTKYXOIMQL-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2ccccc2-c2nnn[n-]2)c(-c2ccccc2)s1 ZINC000826323766 897599673 /nfs/dbraw/zinc/59/96/73/897599673.db2.gz QHLJJADWOLWVNK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(C(=O)OCc2ccccc2-c2nn[n-]n2)c(-c2ccccc2)s1 ZINC000826323766 897599678 /nfs/dbraw/zinc/59/96/78/897599678.db2.gz QHLJJADWOLWVNK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000821104579 897746793 /nfs/dbraw/zinc/74/67/93/897746793.db2.gz JBXRLCCITOYJNA-SJORKVTESA-N -1 3 392.507 3.981 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000821104579 897746804 /nfs/dbraw/zinc/74/68/04/897746804.db2.gz JBXRLCCITOYJNA-SJORKVTESA-N -1 3 392.507 3.981 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109721 897749965 /nfs/dbraw/zinc/74/99/65/897749965.db2.gz NGOYYJFQIIINDT-MRXNPFEDSA-N -1 3 378.480 3.858 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109721 897749974 /nfs/dbraw/zinc/74/99/74/897749974.db2.gz NGOYYJFQIIINDT-MRXNPFEDSA-N -1 3 378.480 3.858 20 0 GHADHM Cc1nnc(CN[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826335469 897764139 /nfs/dbraw/zinc/76/41/39/897764139.db2.gz OGOOQUHTXCFFNP-LBPRGKRZSA-N -1 3 377.477 3.544 20 0 GHADHM Cc1nnc(CN[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826335469 897764152 /nfs/dbraw/zinc/76/41/52/897764152.db2.gz OGOOQUHTXCFFNP-LBPRGKRZSA-N -1 3 377.477 3.544 20 0 GHADHM [O-]c1cccnc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000568416112 897819657 /nfs/dbraw/zinc/81/96/57/897819657.db2.gz NDIKWBFXYTWBBU-OAHLLOKOSA-N -1 3 386.452 3.656 20 0 GHADHM CCn1nc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1C1CC1 ZINC000821568494 897952723 /nfs/dbraw/zinc/95/27/23/897952723.db2.gz WQZJVIJVBRLEDD-UHFFFAOYSA-N -1 3 399.458 3.880 20 0 GHADHM CCn1nc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1C1CC1 ZINC000821568494 897952739 /nfs/dbraw/zinc/95/27/39/897952739.db2.gz WQZJVIJVBRLEDD-UHFFFAOYSA-N -1 3 399.458 3.880 20 0 GHADHM CN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CCC(C(C)(C)C)CC1 ZINC000821571830 897954231 /nfs/dbraw/zinc/95/42/31/897954231.db2.gz HIZKXEHAYFBNOD-UHFFFAOYSA-N -1 3 388.491 3.752 20 0 GHADHM CN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CCC(C(C)(C)C)CC1 ZINC000821571830 897954244 /nfs/dbraw/zinc/95/42/44/897954244.db2.gz HIZKXEHAYFBNOD-UHFFFAOYSA-N -1 3 388.491 3.752 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc(F)cc1)c1csnc1-c1ccccc1 ZINC001185988927 914215888 /nfs/dbraw/zinc/21/58/88/914215888.db2.gz BHTDFHVEHPMQLE-UHFFFAOYSA-N -1 3 392.477 3.697 20 0 GHADHM FC(F)(F)[C@H](NCCOC1CCCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367063 898152846 /nfs/dbraw/zinc/15/28/46/898152846.db2.gz KEZOJIQEVNGNFD-MRXNPFEDSA-N -1 3 383.418 3.799 20 0 GHADHM FC(F)(F)[C@H](NCCOC1CCCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367063 898152859 /nfs/dbraw/zinc/15/28/59/898152859.db2.gz KEZOJIQEVNGNFD-MRXNPFEDSA-N -1 3 383.418 3.799 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)[C@H](C)CO2)c1 ZINC000822232171 898261652 /nfs/dbraw/zinc/26/16/52/898261652.db2.gz VSYXPDWHFCHNAC-QRWLVFNGSA-N -1 3 381.455 3.585 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC000822495250 898429526 /nfs/dbraw/zinc/42/95/26/898429526.db2.gz CLQFPDJLLMYFKR-UHFFFAOYSA-N -1 3 385.258 3.541 20 0 GHADHM Fc1cc(NCc2nccs2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372779 898454722 /nfs/dbraw/zinc/45/47/22/898454722.db2.gz LMFMNIZLMIOLSO-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM Fc1cc(NCc2nccs2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372779 898454730 /nfs/dbraw/zinc/45/47/30/898454730.db2.gz LMFMNIZLMIOLSO-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM Cc1cc(Cl)nc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000800005373 898490129 /nfs/dbraw/zinc/49/01/29/898490129.db2.gz LHZLJVZPFWPTJN-UHFFFAOYSA-N -1 3 384.661 3.511 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OC[C@H](F)C(F)(F)F ZINC000800135748 898645730 /nfs/dbraw/zinc/64/57/30/898645730.db2.gz GNMLTOAFLMRJOR-CVEARBPZSA-N -1 3 399.340 3.697 20 0 GHADHM CCc1nc(C[N-]C(=O)C(F)(F)c2ccccc2Br)cs1 ZINC000823180634 898873387 /nfs/dbraw/zinc/87/33/87/898873387.db2.gz ZAKROIRQMQKXAM-UHFFFAOYSA-N -1 3 375.238 3.876 20 0 GHADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000155759735 899055071 /nfs/dbraw/zinc/05/50/71/899055071.db2.gz VKIWVOWCVZDHQL-HIFRSBDPSA-N -1 3 386.414 3.538 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000570057590 899095785 /nfs/dbraw/zinc/09/57/85/899095785.db2.gz VQIMAMOKCYUDEL-WMZOPIPTSA-N -1 3 386.879 3.618 20 0 GHADHM COC(=O)[C@H](C)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115195002 899168010 /nfs/dbraw/zinc/16/80/10/899168010.db2.gz MACDXSZQGKZKQA-ZJUUUORDSA-N -1 3 378.475 3.848 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000824154343 899431334 /nfs/dbraw/zinc/43/13/34/899431334.db2.gz NONWDEVIHJQOJI-PKNBQFBNSA-N -1 3 377.391 3.547 20 0 GHADHM Cc1nc(C)c(CN(CCC(=O)[O-])Cc2cccc(Br)c2)s1 ZINC000570639206 899460242 /nfs/dbraw/zinc/46/02/42/899460242.db2.gz XGIDHGPGPHRHBV-UHFFFAOYSA-N -1 3 383.311 3.999 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824319291 899524640 /nfs/dbraw/zinc/52/46/40/899524640.db2.gz LBXRXABQUMEFJQ-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824319291 899524649 /nfs/dbraw/zinc/52/46/49/899524649.db2.gz LBXRXABQUMEFJQ-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000824403433 899560126 /nfs/dbraw/zinc/56/01/26/899560126.db2.gz WWFSHKDHAPXHEF-INIZCTEOSA-N -1 3 379.457 3.599 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000824403433 899560131 /nfs/dbraw/zinc/56/01/31/899560131.db2.gz WWFSHKDHAPXHEF-INIZCTEOSA-N -1 3 379.457 3.599 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000570764672 899570579 /nfs/dbraw/zinc/57/05/79/899570579.db2.gz PXHDYJHBPCSHRF-AWEZNQCLSA-N -1 3 375.743 3.627 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824391427 899580158 /nfs/dbraw/zinc/58/01/58/899580158.db2.gz ITQYKJCHCUCBPJ-BZNIZROVSA-N -1 3 388.269 3.553 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824391427 899580169 /nfs/dbraw/zinc/58/01/69/899580169.db2.gz ITQYKJCHCUCBPJ-BZNIZROVSA-N -1 3 388.269 3.553 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000332350818 899598327 /nfs/dbraw/zinc/59/83/27/899598327.db2.gz VGYMYUNLPURZMZ-VIFPVBQESA-N -1 3 390.435 3.614 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470426 899649627 /nfs/dbraw/zinc/64/96/27/899649627.db2.gz IDHNDDBZNCQROL-HZPDHXFCSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470426 899649633 /nfs/dbraw/zinc/64/96/33/899649633.db2.gz IDHNDDBZNCQROL-HZPDHXFCSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470413 899649800 /nfs/dbraw/zinc/64/98/00/899649800.db2.gz IDFJJGAUEBBZKA-IVZQSRNASA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470413 899649806 /nfs/dbraw/zinc/64/98/06/899649806.db2.gz IDFJJGAUEBBZKA-IVZQSRNASA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)NC1(C2CC2)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498457 899665002 /nfs/dbraw/zinc/66/50/02/899665002.db2.gz HNQLJCFZRZRDLZ-CQSZACIVSA-N -1 3 388.475 3.837 20 0 GHADHM C[C@@H](NC(=O)NC1(C2CC2)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498457 899665013 /nfs/dbraw/zinc/66/50/13/899665013.db2.gz HNQLJCFZRZRDLZ-CQSZACIVSA-N -1 3 388.475 3.837 20 0 GHADHM C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824715620 899783515 /nfs/dbraw/zinc/78/35/15/899783515.db2.gz 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CCC(CC)n1nc(C)cc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825115064 899986053 /nfs/dbraw/zinc/98/60/53/899986053.db2.gz SXIWFUJWKOXBGW-UHFFFAOYSA-N -1 3 387.875 3.663 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825115064 899986063 /nfs/dbraw/zinc/98/60/63/899986063.db2.gz SXIWFUJWKOXBGW-UHFFFAOYSA-N -1 3 387.875 3.663 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1)C(F)(F)F ZINC000825266757 900061012 /nfs/dbraw/zinc/06/10/12/900061012.db2.gz MWUAZQTXQUZNAB-AWEZNQCLSA-N -1 3 395.425 3.959 20 0 GHADHM O=S(=O)([N-][C@@H]1COCc2ccccc21)c1cc(Cl)ccc1C(F)(F)F ZINC000572102956 900072010 /nfs/dbraw/zinc/07/20/10/900072010.db2.gz DFKXRFMEEXFJEX-CQSZACIVSA-N -1 3 391.798 3.909 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298509 900078499 /nfs/dbraw/zinc/07/84/99/900078499.db2.gz SJAIEMYDIVWDND-NSHDSACASA-N -1 3 377.897 3.900 20 0 GHADHM Cc1cc(C(=O)OCc2nnc(-c3ccccc3[O-])o2)c(C)n1[C@H]1CCCOC1 ZINC000884599745 900192115 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ZINC000629217239 906600183 /nfs/dbraw/zinc/60/01/83/906600183.db2.gz AHJIFIALKGEYCD-LBPRGKRZSA-N -1 3 385.493 3.620 20 0 GHADHM CC(C)Cn1ncc([N-]S(=O)(=O)CCc2c(F)cccc2F)c1C1CC1 ZINC000629298942 906690044 /nfs/dbraw/zinc/69/00/44/906690044.db2.gz IMFCWJNGHJTXJX-UHFFFAOYSA-N -1 3 383.464 3.679 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1)C1CC1 ZINC000629305687 906693193 /nfs/dbraw/zinc/69/31/93/906693193.db2.gz OZXQXTKJUWRIME-SFHVURJKSA-N -1 3 388.480 3.512 20 0 GHADHM COc1cc(Br)c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1OC ZINC000629373418 906746791 /nfs/dbraw/zinc/74/67/91/906746791.db2.gz LYMBFXJOOIHFFH-KCQAQPDRSA-N -1 3 398.297 3.542 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000629496876 906831418 /nfs/dbraw/zinc/83/14/18/906831418.db2.gz YNYXCSSYIYECGG-NSISKUIASA-N -1 3 386.536 3.690 20 0 GHADHM O=C(NCCc1cccs1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191284020 906840526 /nfs/dbraw/zinc/84/05/26/906840526.db2.gz NOYZTNOAJFSTLC-UHFFFAOYSA-N -1 3 396.915 3.817 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c(=O)[n-]1 ZINC000299282110 921278249 /nfs/dbraw/zinc/27/82/49/921278249.db2.gz CHPCLNUSDSQFDQ-UHFFFAOYSA-N -1 3 380.275 3.844 20 0 GHADHM COC[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccc(F)c(F)c1 ZINC000181427916 906998122 /nfs/dbraw/zinc/99/81/22/906998122.db2.gz LGJALCHIDGJTHL-KRWDZBQOSA-N -1 3 375.371 3.563 20 0 GHADHM Cc1cc(=O)[n-]c(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC001174818345 907217987 /nfs/dbraw/zinc/21/79/87/907217987.db2.gz CXDQMZHHDWALCS-CQSZACIVSA-N -1 3 380.311 3.620 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C(C)C)c[n-]2)c(Cl)c1 ZINC000630430680 907275086 /nfs/dbraw/zinc/27/50/86/907275086.db2.gz NZOIXDUFKLYMOJ-GFCCVEGCSA-N -1 3 383.901 3.604 20 0 GHADHM O=C([O-])[C@@H](CCCNCc1ncc(Br)cc1F)Cc1ccccc1 ZINC000630451145 907285533 /nfs/dbraw/zinc/28/55/33/907285533.db2.gz IXRUPLOCAOIZLV-AWEZNQCLSA-N -1 3 395.272 3.797 20 0 GHADHM CCOC(=O)C1CCN(Cc2cccc(Nc3ccc(CC(=O)[O-])cc3)c2)CC1 ZINC001174953055 907309190 /nfs/dbraw/zinc/30/91/90/907309190.db2.gz HFIWCMUAFNNKHV-UHFFFAOYSA-N -1 3 396.487 3.832 20 0 GHADHM CC(C)Oc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1Br ZINC000630539668 907315826 /nfs/dbraw/zinc/31/58/26/907315826.db2.gz VYCMFUFSHVINHA-SNVBAGLBSA-N -1 3 395.175 3.614 20 0 GHADHM CS(=O)(=O)c1cc(Br)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100123 907357534 /nfs/dbraw/zinc/35/75/34/907357534.db2.gz WHZZWVRFFZPEQE-UHFFFAOYSA-N -1 3 378.194 3.580 20 0 GHADHM COc1ccc(C(=O)[N-]C(=O)CN2CC=C(c3ccc(Cl)cc3C)CC2)cc1 ZINC001175139153 907399893 /nfs/dbraw/zinc/39/98/93/907399893.db2.gz BZZRTSNXWGTLHR-UHFFFAOYSA-N -1 3 398.890 3.703 20 0 GHADHM CSc1nc(Br)c(Nc2c(F)ccc([O-])c2F)n2ccnc12 ZINC001175262902 907474746 /nfs/dbraw/zinc/47/47/46/907474746.db2.gz BVCPLNJIQAJWEL-UHFFFAOYSA-N -1 3 387.209 3.941 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2ccc(Nc3c(F)ccc([O-])c3F)cc2)cc1 ZINC001175270744 907481372 /nfs/dbraw/zinc/48/13/72/907481372.db2.gz IPYSWPYLNVXRCX-UHFFFAOYSA-N -1 3 383.354 3.765 20 0 GHADHM COc1ccc(C(=O)Nc2ccccc2)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429818 907550422 /nfs/dbraw/zinc/55/04/22/907550422.db2.gz PVUZOSICBPQHEA-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Cc4nccs4)CC3)nc2)n1 ZINC000631448815 907714226 /nfs/dbraw/zinc/71/42/26/907714226.db2.gz LYOSXECVKICPNU-UHFFFAOYSA-N -1 3 381.505 3.722 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(COC(C)(C)C)on3)c2)n1 ZINC000185239719 907737783 /nfs/dbraw/zinc/73/77/83/907737783.db2.gz VDUDGZPDVOBKJA-UHFFFAOYSA-N -1 3 396.447 3.555 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)CCC(C)(F)F)oc1-c1ccc(Cl)cc1 ZINC000632088100 907929335 /nfs/dbraw/zinc/92/93/35/907929335.db2.gz QPLSCQPHVDHUDG-UHFFFAOYSA-N -1 3 378.828 3.768 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(CC3CC3)c3ccc(C)cc3)nc(=O)c2c1C ZINC001176129567 907952097 /nfs/dbraw/zinc/95/20/97/907952097.db2.gz DXEUEEHDSNNQHD-UHFFFAOYSA-N -1 3 397.500 3.805 20 0 GHADHM O=C(c1ccc(F)c(Nc2ncc(Br)cc2[O-])c1)N1CCCC1 ZINC001176207809 907984575 /nfs/dbraw/zinc/98/45/75/907984575.db2.gz UDNFDXCLBQBTOF-UHFFFAOYSA-N -1 3 380.217 3.668 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc(C)c1OCc1ccccc1 ZINC001176652803 908220715 /nfs/dbraw/zinc/22/07/15/908220715.db2.gz RCVQTLSJLFRKOC-UHFFFAOYSA-N -1 3 398.484 3.971 20 0 GHADHM CN(C)C(=O)c1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC001177341668 908534257 /nfs/dbraw/zinc/53/42/57/908534257.db2.gz DHENFPZABQYFPT-UHFFFAOYSA-N -1 3 389.455 3.527 20 0 GHADHM COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001177476371 908574637 /nfs/dbraw/zinc/57/46/37/908574637.db2.gz QVXLBCSOALLVMM-INIZCTEOSA-N -1 3 395.436 3.867 20 0 GHADHM CCc1ccccc1N1C(=O)C(=Cc2cc(Cl)c([O-])c(OC)c2)NC1=S ZINC000193733990 908661652 /nfs/dbraw/zinc/66/16/52/908661652.db2.gz SLAATCVSHBKUFB-ZROIWOOFSA-N -1 3 388.876 3.879 20 0 GHADHM O=C(Cc1ccccc1-c1cccnc1)Nc1ncc([O-])cc1Br ZINC001177971314 908819598 /nfs/dbraw/zinc/81/95/98/908819598.db2.gz NNZGXORMMMALBO-UHFFFAOYSA-N -1 3 384.233 3.793 20 0 GHADHM O=C1NCCCN1c1cccc(NCc2cccc([O-])c2Br)c1 ZINC001178077461 908893587 /nfs/dbraw/zinc/89/35/87/908893587.db2.gz CSEGOWCREIUBEP-UHFFFAOYSA-N -1 3 376.254 3.687 20 0 GHADHM CCN(Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1)C(=O)C(F)(F)F ZINC000195562514 909020983 /nfs/dbraw/zinc/02/09/83/909020983.db2.gz GDHBWDJMBUUIFR-UHFFFAOYSA-N -1 3 380.366 3.864 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000635019025 909103289 /nfs/dbraw/zinc/10/32/89/909103289.db2.gz SFXOERLGVOEQRP-MRXNPFEDSA-N -1 3 384.259 3.563 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000635019024 909103711 /nfs/dbraw/zinc/10/37/11/909103711.db2.gz SFXOERLGVOEQRP-INIZCTEOSA-N -1 3 384.259 3.563 20 0 GHADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000773758909 909132260 /nfs/dbraw/zinc/13/22/60/909132260.db2.gz YQKGDVZMCPLHOP-AWEZNQCLSA-N -1 3 398.544 3.943 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1 ZINC000266584510 909222389 /nfs/dbraw/zinc/22/23/89/909222389.db2.gz NBMNBJOJCBBYNI-UHFFFAOYSA-N -1 3 390.461 3.541 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000267024233 909369146 /nfs/dbraw/zinc/36/91/46/909369146.db2.gz QHJPLQJGQJBWIW-UHFFFAOYSA-N -1 3 383.370 3.963 20 0 GHADHM CCc1sc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1Br ZINC001179181994 909398435 /nfs/dbraw/zinc/39/84/35/909398435.db2.gz ACKQIKARJPCASA-YFKPBYRVSA-N -1 3 397.220 3.701 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179177335 909415076 /nfs/dbraw/zinc/41/50/76/909415076.db2.gz UECHYHUVYLPYLW-SECBINFHSA-N -1 3 376.766 3.513 20 0 GHADHM Cc1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cnn1-c1ccc(Cl)cc1 ZINC000636317646 909535452 /nfs/dbraw/zinc/53/54/52/909535452.db2.gz INNHVXBDUDNOJL-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319227 909536075 /nfs/dbraw/zinc/53/60/75/909536075.db2.gz NMCPDJKJMFXVBP-AWEZNQCLSA-N -1 3 383.492 3.831 20 0 GHADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320230 909539769 /nfs/dbraw/zinc/53/97/69/909539769.db2.gz KBWUHRYZHXWJTA-GFCCVEGCSA-N -1 3 387.867 3.628 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cs1 ZINC000267653958 909575272 /nfs/dbraw/zinc/57/52/72/909575272.db2.gz VJGOKZJSNSOCTD-SECBINFHSA-N -1 3 395.333 3.944 20 0 GHADHM CCN(Cc1cccc([O-])c1Br)[C@@H]1CCN(c2ccccc2)C1=O ZINC001179892969 909782133 /nfs/dbraw/zinc/78/21/33/909782133.db2.gz XQSMKSFOSDGCOI-MRXNPFEDSA-N -1 3 389.293 3.782 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000795302709 909783844 /nfs/dbraw/zinc/78/38/44/909783844.db2.gz LOTJUCZSYHEWJO-UHFFFAOYSA-N -1 3 395.481 3.507 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)c([O-])c(OC)c1 ZINC001179882810 909804638 /nfs/dbraw/zinc/80/46/38/909804638.db2.gz BZJVTXIYHCYJBN-UHFFFAOYSA-N -1 3 386.791 3.641 20 0 GHADHM COC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)c2ccccc2)c([O-])c(OC)c1 ZINC001179883113 909804721 /nfs/dbraw/zinc/80/47/21/909804721.db2.gz HYQZRJVBNDCKAY-UHFFFAOYSA-N -1 3 399.443 3.815 20 0 GHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)[C@@H]1c1ccccc1 ZINC001179954076 909864833 /nfs/dbraw/zinc/86/48/33/909864833.db2.gz CQJPPLCFIHHYSN-PNHOKKKMSA-N -1 3 375.428 3.755 20 0 GHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)[C@@H]1c1ccccc1 ZINC001179954076 909864835 /nfs/dbraw/zinc/86/48/35/909864835.db2.gz CQJPPLCFIHHYSN-PNHOKKKMSA-N -1 3 375.428 3.755 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccc(F)c1Br ZINC001180225692 910023708 /nfs/dbraw/zinc/02/37/08/910023708.db2.gz DNSQIQZUIAADPY-XYPYZODXSA-N -1 3 394.244 3.540 20 0 GHADHM CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H](CC(F)(F)F)C(=O)[O-] ZINC000901780696 921557957 /nfs/dbraw/zinc/55/79/57/921557957.db2.gz SFTPITVGQSFSGY-OAHLLOKOSA-N -1 3 383.414 3.724 20 0 GHADHM COc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1OCc1ccccc1 ZINC000901781128 921558003 /nfs/dbraw/zinc/55/80/03/921558003.db2.gz YATSEDJZWITUGX-HNNXBMFYSA-N -1 3 383.366 3.769 20 0 GHADHM O=C(CCc1cc(F)ccc1Br)[N-]OCCOc1ccccc1 ZINC001180649001 910284111 /nfs/dbraw/zinc/28/41/11/910284111.db2.gz NJLAVEKMONICIN-UHFFFAOYSA-N -1 3 382.229 3.648 20 0 GHADHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269602096 910315139 /nfs/dbraw/zinc/31/51/39/910315139.db2.gz PXXMSNGZSXURCI-FQEVSTJZSA-N -1 3 385.851 3.966 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3C[C@@]3(C)Br)n[n-]2)cc1 ZINC001180844484 910376483 /nfs/dbraw/zinc/37/64/83/910376483.db2.gz UZONENNCASVVPB-IAQYHMDHSA-N -1 3 381.299 3.517 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000269895748 910378274 /nfs/dbraw/zinc/37/82/74/910378274.db2.gz CIIREQRBHCHNNI-BBATYDOGSA-N -1 3 379.840 3.569 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c1 ZINC000270059428 910422177 /nfs/dbraw/zinc/42/21/77/910422177.db2.gz PUNHNVXDKASCRB-INIZCTEOSA-N -1 3 384.432 3.601 20 0 GHADHM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1nccn1CC(F)(F)F ZINC000901800229 921579604 /nfs/dbraw/zinc/57/96/04/921579604.db2.gz XQAUSKJPYZDFTG-GFCCVEGCSA-N -1 3 396.196 3.538 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c1 ZINC001181463916 910777308 /nfs/dbraw/zinc/77/73/08/910777308.db2.gz FKCNLQBTRMEIGM-GOSISDBHSA-N -1 3 389.455 3.502 20 0 GHADHM COc1sc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1Br ZINC000901829363 921611807 /nfs/dbraw/zinc/61/18/07/921611807.db2.gz OJUBVQYICJRMAP-QGZVFWFLSA-N -1 3 396.306 3.748 20 0 GHADHM Cc1ccccc1-n1cc(CN[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901847046 921635806 /nfs/dbraw/zinc/63/58/06/921635806.db2.gz KJXXPQNQJYPKEU-NQIIRXRSSA-N -1 3 390.487 3.629 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001182146968 911208055 /nfs/dbraw/zinc/20/80/55/911208055.db2.gz HKKALZSYIVZBQA-HHXXYDBFSA-N -1 3 398.507 3.646 20 0 GHADHM COc1c(F)ccc(-c2noc(-c3cnc(-c4ccccc4)[n-]c3=O)n2)c1F ZINC001212895761 911425615 /nfs/dbraw/zinc/42/56/15/911425615.db2.gz ZTJJUMMCCPTNBI-UHFFFAOYSA-N -1 3 382.326 3.853 20 0 GHADHM Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN[C@H](C)C(=O)[O-] ZINC000283763330 911639347 /nfs/dbraw/zinc/63/93/47/911639347.db2.gz AXIAEUVBOBVSBW-SECBINFHSA-N -1 3 376.671 3.763 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c[n-]c12 ZINC001182464613 911766551 /nfs/dbraw/zinc/76/65/51/911766551.db2.gz NLJLAJARTSQGRL-KRWDZBQOSA-N -1 3 378.428 3.647 20 0 GHADHM COc1cc(Br)c(CN[C@H](CC(=O)[O-])CC(C)(C)C)c(OC)c1 ZINC000284215710 911794190 /nfs/dbraw/zinc/79/41/90/911794190.db2.gz MDIIOIOYAGEUIA-LLVKDONJSA-N -1 3 388.302 3.835 20 0 GHADHM C[C@@H]1CN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CC[C@@H]1C(=O)[O-] ZINC000901888678 921698277 /nfs/dbraw/zinc/69/82/77/921698277.db2.gz QAPSHPBJDXFIFD-PBHICJAKSA-N -1 3 383.423 3.808 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000284497984 911895241 /nfs/dbraw/zinc/89/52/41/911895241.db2.gz IACKJCGXGXQBDI-UHFFFAOYSA-N -1 3 389.399 3.577 20 0 GHADHM O=C([O-])[C@]1(F)CN(Cc2ccc(-n3cnc4ccccc43)cc2)CC12CCC2 ZINC000901914306 921730003 /nfs/dbraw/zinc/73/00/03/921730003.db2.gz HIFPVVPLPAWUDO-JOCHJYFZSA-N -1 3 379.435 3.804 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(S[C@H](C)CC)cc2)no1 ZINC000647417473 915221535 /nfs/dbraw/zinc/22/15/35/915221535.db2.gz ZXYZSAMXUBQADS-CYBMUJFWSA-N -1 3 383.539 3.847 20 0 GHADHM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C(F)F)ccc3F)cc21 ZINC000901936320 921755911 /nfs/dbraw/zinc/75/59/11/921755911.db2.gz GAEJHXSYRMVSMS-UHFFFAOYSA-N -1 3 398.406 3.863 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 ZINC001187442572 915252351 /nfs/dbraw/zinc/25/23/51/915252351.db2.gz AGBINTFVEHZJHP-UHFFFAOYSA-N -1 3 388.464 3.761 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)c(-c2ccccc2)s1 ZINC001187460062 915268487 /nfs/dbraw/zinc/26/84/87/915268487.db2.gz KBTRIZWRVMCGQY-UHFFFAOYSA-N -1 3 379.532 3.670 20 0 GHADHM O=C([O-])CCN(Cc1cc(Cl)ccc1Br)C1CCOCC1 ZINC000647459986 915271377 /nfs/dbraw/zinc/27/13/77/915271377.db2.gz GKSWVNSPQSGBBR-UHFFFAOYSA-N -1 3 376.678 3.558 20 0 GHADHM O=C(COc1ccccc1OCc1ccccc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801347 915390004 /nfs/dbraw/zinc/39/00/04/915390004.db2.gz LAUJEFLXUMIDFV-UHFFFAOYSA-N -1 3 389.411 3.865 20 0 GHADHM CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187775167 915486986 /nfs/dbraw/zinc/48/69/86/915486986.db2.gz ZULOXZALLIIQHX-GFCCVEGCSA-N -1 3 379.386 3.836 20 0 GHADHM CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187775167 915486990 /nfs/dbraw/zinc/48/69/90/915486990.db2.gz ZULOXZALLIIQHX-GFCCVEGCSA-N -1 3 379.386 3.836 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cccc(C3CCC3)c2)C1)C(F)(F)F ZINC000292072252 915503388 /nfs/dbraw/zinc/50/33/88/915503388.db2.gz OVYWTUWOAQRRDW-CYBMUJFWSA-N -1 3 383.414 3.877 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1[n-]nnc1C(F)(F)F ZINC001187758714 915506498 /nfs/dbraw/zinc/50/64/98/915506498.db2.gz DNGVOEUASKDSJF-UHFFFAOYSA-N -1 3 376.342 3.664 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1nn[n-]c1C(F)(F)F ZINC001187758714 915506506 /nfs/dbraw/zinc/50/65/06/915506506.db2.gz DNGVOEUASKDSJF-UHFFFAOYSA-N -1 3 376.342 3.664 20 0 GHADHM Cc1cc(Br)cc(CN(CCC(=O)[O-])C2CC2)c1OC(F)F ZINC000901971053 921778974 /nfs/dbraw/zinc/77/89/74/921778974.db2.gz IDKODIWYVGUXNB-UHFFFAOYSA-N -1 3 378.213 3.798 20 0 GHADHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001187983705 915665274 /nfs/dbraw/zinc/66/52/74/915665274.db2.gz MHXSWVFTSWLCAF-UHFFFAOYSA-N -1 3 391.386 3.862 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cc(F)cc2F)c1cnc(Cl)c(Cl)c1 ZINC001188084815 915745397 /nfs/dbraw/zinc/74/53/97/915745397.db2.gz RIWMISDKPWGAJU-ZDUSSCGKSA-N -1 3 379.215 3.632 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)c(=O)[n-]1 ZINC000648542464 915749776 /nfs/dbraw/zinc/74/97/76/915749776.db2.gz ZSBWURYVLUBBFD-UHFFFAOYSA-N -1 3 380.326 3.530 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1Cl)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188097297 915754603 /nfs/dbraw/zinc/75/46/03/915754603.db2.gz GJZKQTQXAREDCQ-LBPRGKRZSA-N -1 3 392.695 3.866 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](COc2c(C)cccc2C)C(C)(C)C)s1 ZINC001188239676 915817884 /nfs/dbraw/zinc/81/78/84/915817884.db2.gz SLEBBBLPCOMPMV-OAHLLOKOSA-N -1 3 382.551 3.840 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)c(C)c1Cl ZINC001188289303 915850481 /nfs/dbraw/zinc/85/04/81/915850481.db2.gz GFMFXWWFIBJDBM-UHFFFAOYSA-N -1 3 393.958 3.991 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188259735 915859802 /nfs/dbraw/zinc/85/98/02/915859802.db2.gz OOEHAMVFAWOOIN-SSDOTTSWSA-N -1 3 378.750 3.610 20 0 GHADHM COc1ccccc1-n1cnnc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001188364376 915907762 /nfs/dbraw/zinc/90/77/62/915907762.db2.gz CHCYDGSFNYQRDK-UHFFFAOYSA-N -1 3 391.456 3.731 20 0 GHADHM CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cc(Cl)c1 ZINC001275686735 916002368 /nfs/dbraw/zinc/00/23/68/916002368.db2.gz NYEZJUZVTHYBIH-FQEVSTJZSA-N -1 3 376.884 3.609 20 0 GHADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccoc2)c(I)c1 ZINC001188618458 916068483 /nfs/dbraw/zinc/06/84/83/916068483.db2.gz ZXGSHIDOBXGRGS-UHFFFAOYSA-N -1 3 391.230 3.808 20 0 GHADHM COc1ccc(-n2nc3c(c2NC(=O)c2c(C)cccc2[O-])CSC3)cc1 ZINC001188637972 916096237 /nfs/dbraw/zinc/09/62/37/916096237.db2.gz CZJJHHOCTQTDSU-UHFFFAOYSA-N -1 3 381.457 3.894 20 0 GHADHM Cc1nsc(C)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000293407025 916184182 /nfs/dbraw/zinc/18/41/82/916184182.db2.gz ONLBLALNZFXTEY-UHFFFAOYSA-N -1 3 393.896 3.610 20 0 GHADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000098092835 916189988 /nfs/dbraw/zinc/18/99/88/916189988.db2.gz MMFACHMLVNIDMG-UHFFFAOYSA-N -1 3 376.478 3.924 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc2oc3ccccc3c2c1 ZINC001188820905 916227782 /nfs/dbraw/zinc/22/77/82/916227782.db2.gz ACKLEQURQWVMKT-UHFFFAOYSA-N -1 3 390.424 3.968 20 0 GHADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000649578696 916242097 /nfs/dbraw/zinc/24/20/97/916242097.db2.gz DIZVFMASHBUKCU-UHFFFAOYSA-N -1 3 383.473 3.677 20 0 GHADHM O=C(Nc1cc(F)cc2c1OCOC2)Nc1c([O-])cccc1Br ZINC001188874269 916245229 /nfs/dbraw/zinc/24/52/29/916245229.db2.gz QYQCSRQFTVSFHT-UHFFFAOYSA-N -1 3 383.173 3.804 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1F)c1ccc(Oc2cccnc2)cc1 ZINC001188858416 916262041 /nfs/dbraw/zinc/26/20/41/916262041.db2.gz UGZRMESGNFEAKK-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)ccc2o1 ZINC001188895491 916283641 /nfs/dbraw/zinc/28/36/41/916283641.db2.gz XHJBSNLFIWTJRF-UHFFFAOYSA-N -1 3 383.385 3.522 20 0 GHADHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1(C)C ZINC001188970638 916318001 /nfs/dbraw/zinc/31/80/01/916318001.db2.gz ZEEPDRMCJBTFBM-UONOGXRCSA-N -1 3 383.407 3.715 20 0 GHADHM Cn1ncc(S(=O)(=O)[N-]C(C)(C)CC2CCCCCC2)c1Br ZINC001189288549 916512960 /nfs/dbraw/zinc/51/29/60/916512960.db2.gz JPPJTCLUAIBDSZ-UHFFFAOYSA-N -1 3 392.363 3.600 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1F ZINC001189389835 916586276 /nfs/dbraw/zinc/58/62/76/916586276.db2.gz XCUGUOYELXNHLZ-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000361235198 916587447 /nfs/dbraw/zinc/58/74/47/916587447.db2.gz YGCWXZDHAHHRQX-UHFFFAOYSA-N -1 3 382.847 3.865 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc(OC)c1 ZINC001189491391 916674507 /nfs/dbraw/zinc/67/45/07/916674507.db2.gz QKJKEOARYBYDCB-UHFFFAOYSA-N -1 3 375.368 3.665 20 0 GHADHM Cc1csc([C@H]([N-]C(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)C(F)(F)F)n1 ZINC000650062628 916690565 /nfs/dbraw/zinc/69/05/65/916690565.db2.gz YUJHUEDULFILMJ-AEJSXWLSSA-N -1 3 390.349 3.919 20 0 GHADHM O=C([N-]c1nccnc1C1CC1)c1sc(Br)nc1C(F)(F)F ZINC001189656921 916817523 /nfs/dbraw/zinc/81/75/23/916817523.db2.gz VAJZUAHDHWUFDR-UHFFFAOYSA-N -1 3 393.188 3.844 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766569 916902172 /nfs/dbraw/zinc/90/21/72/916902172.db2.gz WXRKOULOABJYEK-CZUORRHYSA-N -1 3 381.350 3.941 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cccc(C(C)=O)c3)c2)n1 ZINC000362379908 917244165 /nfs/dbraw/zinc/24/41/65/917244165.db2.gz KZQFKAPRURLVBM-UHFFFAOYSA-N -1 3 391.427 3.632 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(-c2cccnc2)no1 ZINC000362433992 917272375 /nfs/dbraw/zinc/27/23/75/917272375.db2.gz QXGFJYWCCHCSAB-HNNXBMFYSA-N -1 3 390.365 3.876 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000651097953 917426216 /nfs/dbraw/zinc/42/62/16/917426216.db2.gz COYRUMUJOGGBBA-NXEZZACHSA-N -1 3 382.176 3.841 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)C ZINC001190592316 917435848 /nfs/dbraw/zinc/43/58/48/917435848.db2.gz BDXYMWDTMVBENB-QGZVFWFLSA-N -1 3 381.881 3.802 20 0 GHADHM CC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccncc2)c(C(F)(F)F)c1 ZINC001190896890 917638175 /nfs/dbraw/zinc/63/81/75/917638175.db2.gz UYHCRNYPKHOHJP-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001190907465 917656768 /nfs/dbraw/zinc/65/67/68/917656768.db2.gz AQMQBYXLSXIECK-UHFFFAOYSA-N -1 3 385.222 3.917 20 0 GHADHM CN(Cc1ncccc1C(=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC000652424961 917896249 /nfs/dbraw/zinc/89/62/49/917896249.db2.gz QCTQNXJUUXYSRK-UHFFFAOYSA-N -1 3 375.266 3.706 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C)c1 ZINC001191305639 917908675 /nfs/dbraw/zinc/90/86/75/917908675.db2.gz FZMWHYAXUFPVNI-UHFFFAOYSA-N -1 3 381.295 3.551 20 0 GHADHM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCCCC1CCOCC1 ZINC000652490194 917909197 /nfs/dbraw/zinc/90/91/97/917909197.db2.gz ZXHXDCANKXAPNU-SFHVURJKSA-N -1 3 396.325 3.857 20 0 GHADHM C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000652713565 917988517 /nfs/dbraw/zinc/98/85/17/917988517.db2.gz RHFQOZWRDQPDSL-OKZBNKHCSA-N -1 3 389.499 3.652 20 0 GHADHM O=C(Nc1cc(C(F)F)ccc1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000652826849 918023235 /nfs/dbraw/zinc/02/32/35/918023235.db2.gz NMQMVPJSHPQWAP-HNNXBMFYSA-N -1 3 378.350 3.712 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cncnc2Br)c1Cl ZINC001191728787 918148218 /nfs/dbraw/zinc/14/82/18/918148218.db2.gz MEZWMKLULPYQDA-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM O=S(=O)([N-]C[C@H]1CSc2ccccc2O1)c1cccc(Cl)c1Cl ZINC001191802018 918229687 /nfs/dbraw/zinc/22/96/87/918229687.db2.gz RXZFCKRDBUCLCR-JTQLQIEISA-N -1 3 390.313 3.825 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(Oc2ccccc2)nc1 ZINC001192071418 918405229 /nfs/dbraw/zinc/40/52/29/918405229.db2.gz LIWDDDLCQMPRRF-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cncc([O-])c2)cc1Br ZINC001192221572 918549179 /nfs/dbraw/zinc/54/91/79/918549179.db2.gz JJWFKYKIFMKYJU-UHFFFAOYSA-N -1 3 392.253 3.787 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1nc2ccccc2n1C(F)F ZINC000800258362 919797045 /nfs/dbraw/zinc/79/70/45/919797045.db2.gz ACHYPFPEGIQYBE-MRVPVSSYSA-N -1 3 375.310 3.760 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1nc2ccccc2n1C(F)F ZINC000800258362 919797051 /nfs/dbraw/zinc/79/70/51/919797051.db2.gz ACHYPFPEGIQYBE-MRVPVSSYSA-N -1 3 375.310 3.760 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1nc2ccccc2n1C(F)F ZINC000800258362 919797059 /nfs/dbraw/zinc/79/70/59/919797059.db2.gz ACHYPFPEGIQYBE-MRVPVSSYSA-N -1 3 375.310 3.760 20 0 GHADHM CCCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800629574 920323258 /nfs/dbraw/zinc/32/32/58/920323258.db2.gz IDHFNZXPHSKNDK-HNNXBMFYSA-N -1 3 392.459 3.605 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c(Cl)cc1Cl ZINC000800951504 920636490 /nfs/dbraw/zinc/63/64/90/920636490.db2.gz IWJJANNBTPAUOM-MRVPVSSYSA-N -1 3 394.301 3.881 20 0 GHADHM CCOC(=O)C(=Cc1cncn1C(C)C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000901431100 921100332 /nfs/dbraw/zinc/10/03/32/921100332.db2.gz JRVALPBZTINLLP-AUWJEWJLSA-N -1 3 386.477 3.895 20 0 GHADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000902139475 921908950 /nfs/dbraw/zinc/90/89/50/921908950.db2.gz MUCWQEHDVATRLW-SECBINFHSA-N -1 3 392.809 3.771 20 0 GHADHM Cc1cccc(OCCN(C)Cc2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000902147908 921923606 /nfs/dbraw/zinc/92/36/06/921923606.db2.gz CYPWQOIELQMAMN-UHFFFAOYSA-N -1 3 378.266 3.967 20 0 GHADHM O=C([O-])COc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000902154939 921932922 /nfs/dbraw/zinc/93/29/22/921932922.db2.gz UEZXMIIOJZJKOB-UHFFFAOYSA-N -1 3 382.460 3.569 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC000802322932 922020783 /nfs/dbraw/zinc/02/07/83/922020783.db2.gz DOMFBFUIQNEVQO-JOCHJYFZSA-N -1 3 388.508 3.818 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000802324362 922022687 /nfs/dbraw/zinc/02/26/87/922022687.db2.gz WHYWMOWDHVZAPX-JOCHJYFZSA-N -1 3 388.508 3.818 20 0 GHADHM COc1cccc([C@H]2C[C@H](N(C)Cc3cn(-c4ccccc4)nc3C(=O)[O-])C2)c1 ZINC000902546262 922270310 /nfs/dbraw/zinc/27/03/10/922270310.db2.gz BIRVCMJZMWQOIM-IRJFHVNHSA-N -1 3 391.471 3.957 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1C ZINC000367935474 922383472 /nfs/dbraw/zinc/38/34/72/922383472.db2.gz OKQTWPYLYMYMOW-UHFFFAOYSA-N -1 3 388.489 3.696 20 0 GHADHM Cc1cc(Br)ncc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000749412927 922716548 /nfs/dbraw/zinc/71/65/48/922716548.db2.gz AIUFOJMEGUYYOR-UHFFFAOYSA-N -1 3 379.258 3.506 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(-c4c[nH]nc4C)s3)s2)o1 ZINC000368733174 922833988 /nfs/dbraw/zinc/83/39/88/922833988.db2.gz OCWQIMAGEFTFJE-UHFFFAOYSA-N -1 3 386.462 3.822 20 0 GHADHM COc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4c[nH]nc4C)s3)cs2)cc1 ZINC000368734504 922834470 /nfs/dbraw/zinc/83/44/70/922834470.db2.gz VKMCFPZBBFJNMQ-UHFFFAOYSA-N -1 3 398.473 3.621 20 0 GHADHM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000803339769 922899508 /nfs/dbraw/zinc/89/95/08/922899508.db2.gz AXTMFYVUMSMFFJ-OAHLLOKOSA-N -1 3 398.469 3.906 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000903631337 923139829 /nfs/dbraw/zinc/13/98/29/923139829.db2.gz MRJJGPJBFPPIAK-WBMJQRKESA-N -1 3 395.322 3.986 20 0 GHADHM Cc1n[nH]cc1-c1nnc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)s1 ZINC000370446763 924096477 /nfs/dbraw/zinc/09/64/77/924096477.db2.gz HBZFTDGAUZPTMG-UHFFFAOYSA-N -1 3 398.370 3.509 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2cc(F)ccc12)c1ccc(Cl)nc1Cl ZINC000749185192 924458884 /nfs/dbraw/zinc/45/88/84/924458884.db2.gz VIPQLPLHDHDSHZ-UHFFFAOYSA-N -1 3 388.251 3.530 20 0 GHADHM NC(=O)c1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1F ZINC000678302273 924715369 /nfs/dbraw/zinc/71/53/69/924715369.db2.gz IZPPJDWYYMHAIA-UHFFFAOYSA-N -1 3 378.403 3.668 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1OCC ZINC000678478297 924792223 /nfs/dbraw/zinc/79/22/23/924792223.db2.gz AJRTXUJDLNQWKS-UHFFFAOYSA-N -1 3 377.462 3.610 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000371855834 924913806 /nfs/dbraw/zinc/91/38/06/924913806.db2.gz JOMWMIOPZIHOSN-LLVKDONJSA-N -1 3 394.818 3.723 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2sc3nc(C)nc(N)c3c2C)s1 ZINC000679181113 925055561 /nfs/dbraw/zinc/05/55/61/925055561.db2.gz VXZXGAQTHWYHQQ-UHFFFAOYSA-N -1 3 376.511 3.898 20 0 GHADHM CC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCC(F)(F)CC1 ZINC000680291252 925426975 /nfs/dbraw/zinc/42/69/75/925426975.db2.gz IRWUOYXSLGQRTN-UHFFFAOYSA-N -1 3 377.229 3.922 20 0 GHADHM CCC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccn1 ZINC000680433376 925476860 /nfs/dbraw/zinc/47/68/60/925476860.db2.gz BCSZRGHOAQPFFG-SFHVURJKSA-N -1 3 394.431 3.607 20 0 GHADHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)nc21 ZINC000410319564 925531223 /nfs/dbraw/zinc/53/12/23/925531223.db2.gz OBQOJALCWLNUGE-UHFFFAOYSA-N -1 3 385.272 3.964 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc([C@@H]3CCCS3)no2)c1 ZINC000680763641 925597761 /nfs/dbraw/zinc/59/77/61/925597761.db2.gz TZHDVPKRQGMSGR-AWEZNQCLSA-N -1 3 394.453 3.573 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc(OC)c1[O-] ZINC000680816197 925619228 /nfs/dbraw/zinc/61/92/28/925619228.db2.gz OMBZRTYUDPUYIM-HNNXBMFYSA-N -1 3 380.444 3.911 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)cc1C ZINC000410415319 925620955 /nfs/dbraw/zinc/62/09/55/925620955.db2.gz CYDWBQIKNAPNCU-UHFFFAOYSA-N -1 3 385.489 3.822 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3coc(C4CC4)n3)cc2)cc1 ZINC000680848213 925630927 /nfs/dbraw/zinc/63/09/27/925630927.db2.gz PKMAKGKFFIHKOZ-UHFFFAOYSA-N -1 3 397.456 3.914 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc2o1 ZINC000410422129 925633162 /nfs/dbraw/zinc/63/31/62/925633162.db2.gz LKEGKNFTZPSFLR-UHFFFAOYSA-N -1 3 377.180 3.780 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC2(CCC2)C1 ZINC001137428092 925663039 /nfs/dbraw/zinc/66/30/39/925663039.db2.gz NVOZGXRGYTWLRD-UHFFFAOYSA-N -1 3 388.464 3.561 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000372916904 925770340 /nfs/dbraw/zinc/77/03/40/925770340.db2.gz XOFPOSZIIZPFFG-UHFFFAOYSA-N -1 3 388.899 3.856 20 0 GHADHM Cc1ccc(-c2cc(C(=O)NCc3ccc([O-])c(Br)c3)[nH]n2)cc1 ZINC001137446023 925824279 /nfs/dbraw/zinc/82/42/79/925824279.db2.gz CJUVSENHNDYHOG-UHFFFAOYSA-N -1 3 386.249 3.783 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H](OCC1CCCC1)c1ccccc1 ZINC000827765670 925950634 /nfs/dbraw/zinc/95/06/34/925950634.db2.gz WPXIUVGBOHJGFB-LJQANCHMSA-N -1 3 377.448 3.753 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H](OCC1CCCC1)c1ccccc1 ZINC000827765670 925950641 /nfs/dbraw/zinc/95/06/41/925950641.db2.gz WPXIUVGBOHJGFB-LJQANCHMSA-N -1 3 377.448 3.753 20 0 GHADHM COc1cc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc(Cl)c1[O-] ZINC000682387087 926095052 /nfs/dbraw/zinc/09/50/52/926095052.db2.gz SPDATHBAZYQNRF-CQSZACIVSA-N -1 3 389.883 3.525 20 0 GHADHM COc1cccc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2nccn2C)c1 ZINC000682447208 926118732 /nfs/dbraw/zinc/11/87/32/926118732.db2.gz VONXVOAPSOCZMX-OAQYLSRUSA-N -1 3 397.450 3.502 20 0 GHADHM COc1ccc(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CCOCC2)cc1 ZINC000682485684 926132636 /nfs/dbraw/zinc/13/26/36/926132636.db2.gz HFVPWPRKLBISDM-UHFFFAOYSA-N -1 3 387.451 3.685 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000682493322 926137871 /nfs/dbraw/zinc/13/78/71/926137871.db2.gz CAHMNNFDDGMSIN-OAHLLOKOSA-N -1 3 378.394 3.527 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000392189414 926404929 /nfs/dbraw/zinc/40/49/29/926404929.db2.gz VXQJVUWAYQEWDB-UHFFFAOYSA-N -1 3 388.276 3.846 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000725833187 926462847 /nfs/dbraw/zinc/46/28/47/926462847.db2.gz VONFTTWDMAOMNQ-QMMMGPOBSA-N -1 3 396.727 3.598 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000411574485 926526231 /nfs/dbraw/zinc/52/62/31/926526231.db2.gz VOQCMZKBEPTVNR-UHFFFAOYSA-N -1 3 385.847 3.983 20 0 GHADHM O=c1nc(CN2CC[C@H]([C@H]3CCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000374408259 927104071 /nfs/dbraw/zinc/10/40/71/927104071.db2.gz YXIBQFNTKROLIY-GJZGRUSLSA-N -1 3 399.491 3.649 20 0 GHADHM Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cc2ccsc2[n-]1 ZINC000749637207 927219872 /nfs/dbraw/zinc/21/98/72/927219872.db2.gz YCWBZWCMHSQAAD-UHFFFAOYSA-N -1 3 386.498 3.946 20 0 GHADHM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412317601 927327013 /nfs/dbraw/zinc/32/70/13/927327013.db2.gz XFOGPRMVANXKFU-INIZCTEOSA-N -1 3 384.867 3.765 20 0 GHADHM O=C(OCC1CC=CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000750374977 927588311 /nfs/dbraw/zinc/58/83/11/927588311.db2.gz DHGZXYJSMFGXOV-UHFFFAOYSA-N -1 3 375.421 3.750 20 0 GHADHM C[C@H]1CC(C)(C)CN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000412765653 927820210 /nfs/dbraw/zinc/82/02/10/927820210.db2.gz AWCUOZYQVUUACC-JXFKEZNVSA-N -1 3 380.488 3.900 20 0 GHADHM Cn1nncc1C=C(Cl)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000751031713 927991417 /nfs/dbraw/zinc/99/14/17/927991417.db2.gz BRJBSVYTWZSCRQ-BJMVGYQFSA-N -1 3 375.866 3.991 20 0 GHADHM O=c1cc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)nc(C2CC2)[n-]1 ZINC000412983073 928069085 /nfs/dbraw/zinc/06/90/85/928069085.db2.gz LROGEXVTDMRZJA-UHFFFAOYSA-N -1 3 389.868 3.702 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000751225083 928081316 /nfs/dbraw/zinc/08/13/16/928081316.db2.gz YMHUVLDAUBYAIC-LBPRGKRZSA-N -1 3 380.680 3.659 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(Cl)s1 ZINC000751434897 928190259 /nfs/dbraw/zinc/19/02/59/928190259.db2.gz AAJFYPSZRXJGFH-SECBINFHSA-N -1 3 386.709 3.720 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)c2ccsc2)c1Cl ZINC000751438458 928193709 /nfs/dbraw/zinc/19/37/09/928193709.db2.gz NQVHYZKYZGHYQR-CQSZACIVSA-N -1 3 380.318 3.549 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1cccc(F)c1 ZINC000751485634 928217085 /nfs/dbraw/zinc/21/70/85/928217085.db2.gz IFMUCEDGPSGHFE-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C)c(F)cc3N)nc(=O)c2c1C ZINC000751630453 928285913 /nfs/dbraw/zinc/28/59/13/928285913.db2.gz KICSPTPQGIDTLY-VIFPVBQESA-N -1 3 375.425 3.961 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000751729982 928353100 /nfs/dbraw/zinc/35/31/00/928353100.db2.gz DVUNCQGFSLHTJO-UHFFFAOYSA-N -1 3 393.798 3.819 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000752021232 928556135 /nfs/dbraw/zinc/55/61/35/928556135.db2.gz AYWPVSKDMPBIQA-JSGCOSHPSA-N -1 3 394.543 3.662 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C(C)=O)cc3)n2)cc1 ZINC000467055998 928645107 /nfs/dbraw/zinc/64/51/07/928645107.db2.gz FPJCWFVOFJNWIJ-ZDUSSCGKSA-N -1 3 399.472 3.541 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752419899 928818596 /nfs/dbraw/zinc/81/85/96/928818596.db2.gz NRSURDAYRUJCBG-ZDUSSCGKSA-N -1 3 375.856 3.561 20 0 GHADHM CCc1cccc(Oc2ccc(NC(=O)NCc3cnc(C)[n-]c3=O)cn2)c1 ZINC000544221688 928948123 /nfs/dbraw/zinc/94/81/23/928948123.db2.gz RWYIOIJMNQLLDG-UHFFFAOYSA-N -1 3 379.420 3.562 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000544283410 929019415 /nfs/dbraw/zinc/01/94/15/929019415.db2.gz FUAMVOUDKYMSJZ-CVEARBPZSA-N -1 3 394.397 3.645 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3C(=S)N=NC3C)c2)c(C)c1 ZINC000753019710 929160737 /nfs/dbraw/zinc/16/07/37/929160737.db2.gz SRTLXZWLAQVZOS-UHFFFAOYSA-N -1 3 388.518 3.590 20 0 GHADHM Cc1ccc([C@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000753022774 929161418 /nfs/dbraw/zinc/16/14/18/929161418.db2.gz YKGAEYSRUHQLQR-QFIPXVFZSA-N -1 3 394.496 3.761 20 0 GHADHM O=C(NC12CCC(CC1)C2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000753131960 929220441 /nfs/dbraw/zinc/22/04/41/929220441.db2.gz FXMMRUWPMWBMSZ-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM O=C(Cc1cc(Cl)cc2c1OCC2)Nc1cc(Br)ccc1[O-] ZINC000544554211 929282102 /nfs/dbraw/zinc/28/21/02/929282102.db2.gz QXDBDVMODYRGMH-UHFFFAOYSA-N -1 3 382.641 3.924 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1C ZINC000753725302 929501097 /nfs/dbraw/zinc/50/10/97/929501097.db2.gz LOYOMZWTRHHXPD-CQSZACIVSA-N -1 3 378.494 3.865 20 0 GHADHM COc1cc(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)cc(OC)c1[O-] ZINC000467870110 929530765 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CCOC(=O)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C)c1C ZINC000469621178 930035755 /nfs/dbraw/zinc/03/57/55/930035755.db2.gz NPZBGMRNYWSVMQ-OAQYLSRUSA-N -1 3 387.451 3.891 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccccc3)cs2)s1 ZINC000546597933 930285634 /nfs/dbraw/zinc/28/56/34/930285634.db2.gz BHAKNBHEZZDEFM-NSHDSACASA-N -1 3 379.532 3.869 20 0 GHADHM COc1ccccc1OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780861244 930619519 /nfs/dbraw/zinc/61/95/19/930619519.db2.gz QYOVIPXWBZIGCR-LJQANCHMSA-N -1 3 391.423 3.868 20 0 GHADHM CC1CCC(c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)CC1 ZINC000547058446 930657935 /nfs/dbraw/zinc/65/79/35/930657935.db2.gz LYZKIETZHNOFOW-UHFFFAOYSA-N -1 3 379.457 3.610 20 0 GHADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC3CCCC3)cc1)OCO2 ZINC000781115080 930704969 /nfs/dbraw/zinc/70/49/69/930704969.db2.gz HKEVKOOKBDXDMD-UHFFFAOYSA-N -1 3 375.446 3.846 20 0 GHADHM CCS[C@H](C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000547191504 930783622 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Cc1nc2ccccc2c(C)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782141816 931099942 /nfs/dbraw/zinc/09/99/42/931099942.db2.gz CFNAFVPGQOLGFP-UHFFFAOYSA-N -1 3 375.384 3.964 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000782251849 931141110 /nfs/dbraw/zinc/14/11/10/931141110.db2.gz DSYHXLXFFNFUJW-UHFFFAOYSA-N -1 3 396.790 3.843 20 0 GHADHM Cc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cnn1-c1ccc(C)cc1 ZINC000782304766 931166902 /nfs/dbraw/zinc/16/69/02/931166902.db2.gz CUEOADOBVSWGNR-UHFFFAOYSA-N -1 3 390.399 3.602 20 0 GHADHM C[C@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1nnc2ccccn21 ZINC000557243210 931294911 /nfs/dbraw/zinc/29/49/11/931294911.db2.gz PCFXMJJBASOLQS-NSHDSACASA-N -1 3 392.444 3.550 20 0 GHADHM COc1ccc(N[C@@H](c2ccccc2)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000782780098 931334364 /nfs/dbraw/zinc/33/43/64/931334364.db2.gz FBMYKNJUTLQNBA-FQEVSTJZSA-N -1 3 390.505 3.647 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000626223038 931414459 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CC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccsc1 ZINC000697620300 931690627 /nfs/dbraw/zinc/69/06/27/931690627.db2.gz JGALPPOVUKCNSB-CQSZACIVSA-N -1 3 378.498 3.509 20 0 GHADHM COC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCC(c2ccccc2)CC1 ZINC000557943457 931767135 /nfs/dbraw/zinc/76/71/35/931767135.db2.gz ZGUXZTIBIFDLPX-UHFFFAOYSA-N -1 3 382.439 3.570 20 0 GHADHM Cc1ccccc1Sc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000558249498 931903596 /nfs/dbraw/zinc/90/35/96/931903596.db2.gz DJSAXTZWTVSOCB-UHFFFAOYSA-N -1 3 377.469 3.840 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)c3cc(F)cc(Cl)c3)nc2)n1 ZINC000784812606 932008249 /nfs/dbraw/zinc/00/82/49/932008249.db2.gz JVTBYTKJAMKXDU-MRXNPFEDSA-N -1 3 388.830 3.745 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000784893911 932020306 /nfs/dbraw/zinc/02/03/06/932020306.db2.gz OZYXOEHIIIKFNZ-INIZCTEOSA-N -1 3 387.451 3.834 20 0 GHADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000558478290 932025373 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O=C1OCc2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc21 ZINC000799127043 932884060 /nfs/dbraw/zinc/88/40/60/932884060.db2.gz NEIBJSVDXRAYBL-UHFFFAOYSA-N -1 3 376.192 3.604 20 0 GHADHM O=C([N-]CC1CCN(CCc2cc(Cl)ccc2Cl)CC1)C(F)(F)F ZINC000799172189 932896956 /nfs/dbraw/zinc/89/69/56/932896956.db2.gz DJABWTQGXYPHOJ-UHFFFAOYSA-N -1 3 383.241 3.926 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000928342046 932927444 /nfs/dbraw/zinc/92/74/44/932927444.db2.gz FUPITEMLTUHTPP-UHFFFAOYSA-N -1 3 398.356 3.558 20 0 GHADHM CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000928385500 932958601 /nfs/dbraw/zinc/95/86/01/932958601.db2.gz BDPGLCXFJJXOJT-GFCCVEGCSA-N -1 3 391.393 3.885 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C)c(Cl)cc1Cl ZINC000799734633 933103918 /nfs/dbraw/zinc/10/39/18/933103918.db2.gz JTQMZIAFKBRZRA-JTQLQIEISA-N -1 3 395.352 3.989 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC000928787917 933104737 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O=C([O-])c1ccc(N2CCC(NCc3csc(-c4ccccn4)n3)CC2)cc1 ZINC001116779854 933752159 /nfs/dbraw/zinc/75/21/59/933752159.db2.gz SKXQUWWSVUDDRP-UHFFFAOYSA-N -1 3 394.500 3.662 20 0 GHADHM O=c1cc(C[S@](=O)Cc2coc(-c3cccc(Cl)c3)n2)nc(C2CC2)[n-]1 ZINC000561132604 933899267 /nfs/dbraw/zinc/89/92/67/933899267.db2.gz QTCFGRXDPLWPFQ-SANMLTNESA-N -1 3 389.864 3.817 20 0 GHADHM O=C(NCc1ccccc1COCc1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561145069 933913784 /nfs/dbraw/zinc/91/37/84/933913784.db2.gz WPHNEXCXDUNTPQ-UHFFFAOYSA-N -1 3 389.455 3.706 20 0 GHADHM CCc1ccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1Cl ZINC001117409748 933937187 /nfs/dbraw/zinc/93/71/87/933937187.db2.gz XIHGLDGHJSDIKP-UHFFFAOYSA-N -1 3 399.875 3.735 20 0 GHADHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561496475 934213966 /nfs/dbraw/zinc/21/39/66/934213966.db2.gz PVSQGTNXAHDECP-SECBINFHSA-N -1 3 383.388 3.695 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC1(Cl)Cl)c1ccc(C(F)(F)F)nc1Cl ZINC001118804949 934251562 /nfs/dbraw/zinc/25/15/62/934251562.db2.gz KBGLLVSHYSMNEF-ZCFIWIBFSA-N -1 3 397.633 3.616 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538064 934252563 /nfs/dbraw/zinc/25/25/63/934252563.db2.gz HYJBXQRKHDMPJB-MFKMUULPSA-N -1 3 399.406 3.596 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1)C1CC1 ZINC000561630348 934323605 /nfs/dbraw/zinc/32/36/05/934323605.db2.gz NJUHGUNXGPNQMC-UHFFFAOYSA-N -1 3 397.381 3.574 20 0 GHADHM CCSCc1ccnc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001120715374 934498978 /nfs/dbraw/zinc/49/89/78/934498978.db2.gz TUSMZMFUKZWPBX-UHFFFAOYSA-N -1 3 399.925 3.612 20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001121810579 934770679 /nfs/dbraw/zinc/77/06/79/934770679.db2.gz LGBXSOSMTISCOR-WOJBJXKFSA-N -1 3 387.524 3.643 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC(F)(F)C2)cc1 ZINC001123326192 935161541 /nfs/dbraw/zinc/16/15/41/935161541.db2.gz KSWBBEOHLMDSIJ-UHFFFAOYSA-N -1 3 395.431 3.587 20 0 GHADHM C/C(=C/c1ccc(C)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123378438 935174741 /nfs/dbraw/zinc/17/47/41/935174741.db2.gz GSIWEKVLOAXKIN-WTPZTIPBSA-N -1 3 392.499 3.634 20 0 GHADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(C)cc1 ZINC001124707610 935449987 /nfs/dbraw/zinc/44/99/87/935449987.db2.gz JVCIBDNSAHNMMD-MRXNPFEDSA-N -1 3 383.341 3.786 20 0 GHADHM CCOC(=O)Nc1ccc(F)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC001124863757 935481509 /nfs/dbraw/zinc/48/15/09/935481509.db2.gz VHHKWHKKKAHIQM-UHFFFAOYSA-N -1 3 378.307 3.517 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c([O-])c1 ZINC001137542267 935571347 /nfs/dbraw/zinc/57/13/47/935571347.db2.gz WSVGINUIUAPNHS-UHFFFAOYSA-N -1 3 386.879 3.654 20 0 GHADHM CC(C)(C)OC1CCC(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000828065698 935572011 /nfs/dbraw/zinc/57/20/11/935572011.db2.gz HAWVKPZIQJJMDA-UHFFFAOYSA-N -1 3 378.419 3.662 20 0 GHADHM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000828459859 935636418 /nfs/dbraw/zinc/63/64/18/935636418.db2.gz RYCGRTNSNMQIEA-JOYOIKCWSA-N -1 3 386.320 3.681 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000828857102 935729252 /nfs/dbraw/zinc/72/92/52/935729252.db2.gz QBPCKRNDLYLSGK-QFIPXVFZSA-N -1 3 380.394 3.536 20 0 GHADHM COc1ccc([C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc2OC)cc1 ZINC001137703391 935733722 /nfs/dbraw/zinc/73/37/22/935733722.db2.gz ITMLJXLAXCXRJH-QHCPKHFHSA-N -1 3 395.430 3.997 20 0 GHADHM C[C@H](C1CC1)n1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cn1 ZINC000828994541 935752250 /nfs/dbraw/zinc/75/22/50/935752250.db2.gz AIVIBELKRGCPCU-CQSZACIVSA-N -1 3 378.432 3.792 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)cc1C(=O)OC(C)C ZINC000829786935 935861941 /nfs/dbraw/zinc/86/19/41/935861941.db2.gz CDZFGZJQPCQTPU-UHFFFAOYSA-N -1 3 382.869 3.718 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000830051252 935894494 /nfs/dbraw/zinc/89/44/94/935894494.db2.gz DDAXWQTXQFZLSS-KBPBESRZSA-N -1 3 394.537 3.880 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccn1 ZINC001137996973 935916384 /nfs/dbraw/zinc/91/63/84/935916384.db2.gz NJVYLNLLJSAFGF-NRFANRHFSA-N -1 3 376.412 3.518 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(OC[C@@H]2CCCC23CCOCC3)c1 ZINC001573279563 946643348 /nfs/dbraw/zinc/64/33/48/946643348.db2.gz JKFQZOPNUIPCEX-LBPRGKRZSA-N -1 3 393.285 3.605 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(OC[C@@H]2CCCC23CCOCC3)c1 ZINC001573279563 946643357 /nfs/dbraw/zinc/64/33/57/946643357.db2.gz JKFQZOPNUIPCEX-LBPRGKRZSA-N -1 3 393.285 3.605 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(SC(C)C)cc1 ZINC001573554413 946899445 /nfs/dbraw/zinc/89/94/45/946899445.db2.gz SSZLSTKEZIBLBV-UHFFFAOYSA-N -1 3 381.461 3.822 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(SC(C)C)cc1 ZINC001573554413 946899459 /nfs/dbraw/zinc/89/94/59/946899459.db2.gz SSZLSTKEZIBLBV-UHFFFAOYSA-N -1 3 381.461 3.822 20 0 GHADHM CC(=O)c1sc(NC(=O)c2csc(-c3nnn[n-]3)c2)nc1-c1ccccc1 ZINC001573558855 946943192 /nfs/dbraw/zinc/94/31/92/946943192.db2.gz QVROYPHUWWPFKS-UHFFFAOYSA-N -1 3 396.457 3.507 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cc2ccccc2o1 ZINC001573608205 947557320 /nfs/dbraw/zinc/55/73/20/947557320.db2.gz WCDJSVLXCPBGHQ-CQSZACIVSA-N -1 3 387.443 3.908 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cc2ccccc2o1 ZINC001573608205 947557330 /nfs/dbraw/zinc/55/73/30/947557330.db2.gz WCDJSVLXCPBGHQ-CQSZACIVSA-N -1 3 387.443 3.908 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001573363076 947708654 /nfs/dbraw/zinc/70/86/54/947708654.db2.gz BADRSAHLHZXHOT-SDNWHVSQSA-N -1 3 381.867 3.625 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001573363076 947708663 /nfs/dbraw/zinc/70/86/63/947708663.db2.gz BADRSAHLHZXHOT-SDNWHVSQSA-N -1 3 381.867 3.625 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573364111 947718508 /nfs/dbraw/zinc/71/85/08/947718508.db2.gz GAIUZGYUFFYEJA-XFFZJAGNSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573364111 947718516 /nfs/dbraw/zinc/71/85/16/947718516.db2.gz GAIUZGYUFFYEJA-XFFZJAGNSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001573364613 947722442 /nfs/dbraw/zinc/72/24/42/947722442.db2.gz IAPQWUGVMODHIV-DTQAZKPQSA-N -1 3 393.516 3.628 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001573364613 947722452 /nfs/dbraw/zinc/72/24/52/947722452.db2.gz IAPQWUGVMODHIV-DTQAZKPQSA-N -1 3 393.516 3.628 20 0 GHADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)[C@H](C)C(C)(C)C ZINC001573718805 948521487 /nfs/dbraw/zinc/52/14/87/948521487.db2.gz UHOQUNZBMHDLJZ-KBPBESRZSA-N -1 3 375.542 3.534 20 0 GHADHM C[C@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001573718805 948521490 /nfs/dbraw/zinc/52/14/90/948521490.db2.gz UHOQUNZBMHDLJZ-KBPBESRZSA-N -1 3 375.542 3.534 20 0 GHADHM C[C@@H](C(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573754374 948741138 /nfs/dbraw/zinc/74/11/38/948741138.db2.gz FQMCRERFWAKWQP-NSHDSACASA-N -1 3 392.337 3.901 20 0 GHADHM C[C@@H](C(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573754374 948741142 /nfs/dbraw/zinc/74/11/42/948741142.db2.gz FQMCRERFWAKWQP-NSHDSACASA-N -1 3 392.337 3.901 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC001574083050 948873801 /nfs/dbraw/zinc/87/38/01/948873801.db2.gz ORNGQOKQIXMRQU-YRNRMSPPSA-N -1 3 393.491 3.579 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC001574083050 948873814 /nfs/dbraw/zinc/87/38/14/948873814.db2.gz ORNGQOKQIXMRQU-YRNRMSPPSA-N -1 3 393.491 3.579 20 0 GHADHM C[C@H](CCOCc1ccccc1)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001574693735 949061249 /nfs/dbraw/zinc/06/12/49/949061249.db2.gz IGCLWSNPHQHQNS-CYBMUJFWSA-N -1 3 380.477 3.884 20 0 GHADHM C[C@H](CCOCc1ccccc1)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001574693735 949061265 /nfs/dbraw/zinc/06/12/65/949061265.db2.gz IGCLWSNPHQHQNS-CYBMUJFWSA-N -1 3 380.477 3.884 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574694345 949075119 /nfs/dbraw/zinc/07/51/19/949075119.db2.gz NUJCJCJDJHEGES-XOBRGWDASA-N -1 3 393.466 3.768 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574694345 949075140 /nfs/dbraw/zinc/07/51/40/949075140.db2.gz NUJCJCJDJHEGES-XOBRGWDASA-N -1 3 393.466 3.768 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001575512842 949142798 /nfs/dbraw/zinc/14/27/98/949142798.db2.gz PNVWOPKRFLNKRJ-NSHDSACASA-N -1 3 391.809 3.832 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001575512842 949142806 /nfs/dbraw/zinc/14/28/06/949142806.db2.gz PNVWOPKRFLNKRJ-NSHDSACASA-N -1 3 391.809 3.832 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)CC[C@@H]3CCCO3)c2-c2nnn[n-]2)C1 ZINC001574100298 949190012 /nfs/dbraw/zinc/19/00/12/949190012.db2.gz UJZCLBOGLIFCCI-OLZOCXBDSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)CC[C@@H]3CCCO3)c2-c2nn[n-]n2)C1 ZINC001574100298 949190024 /nfs/dbraw/zinc/19/00/24/949190024.db2.gz UJZCLBOGLIFCCI-OLZOCXBDSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C(=O)Nc1nsc2ccccc21)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788656 949205574 /nfs/dbraw/zinc/20/55/74/949205574.db2.gz RCKOVOZLDPHNMB-UHFFFAOYSA-N -1 3 382.424 3.532 20 0 GHADHM CC(C)(C(=O)Nc1nsc2ccccc21)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788656 949205592 /nfs/dbraw/zinc/20/55/92/949205592.db2.gz RCKOVOZLDPHNMB-UHFFFAOYSA-N -1 3 382.424 3.532 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC001576151577 949225574 /nfs/dbraw/zinc/22/55/74/949225574.db2.gz HGLODNYFAUQKBE-CMPLNLGQSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC001576151577 949225598 /nfs/dbraw/zinc/22/55/98/949225598.db2.gz HGLODNYFAUQKBE-CMPLNLGQSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@H]1C ZINC001576152664 949257165 /nfs/dbraw/zinc/25/71/65/949257165.db2.gz KDEVYEJYOQIKAF-GQIGUUNPSA-N -1 3 394.523 3.738 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@H]1C ZINC001576152664 949257179 /nfs/dbraw/zinc/25/71/79/949257179.db2.gz KDEVYEJYOQIKAF-GQIGUUNPSA-N -1 3 394.523 3.738 20 0 GHADHM CC[C@@]1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)OCCc2ccccc21 ZINC001589615649 949366798 /nfs/dbraw/zinc/36/67/98/949366798.db2.gz RYNPWZXIXKOXIX-MBSDFSHPSA-N -1 3 398.503 3.548 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576164836 949560384 /nfs/dbraw/zinc/56/03/84/949560384.db2.gz HRJTWMDKBSQQDK-SMDDNHRTSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC001576164836 949560395 /nfs/dbraw/zinc/56/03/95/949560395.db2.gz HRJTWMDKBSQQDK-SMDDNHRTSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576167112 949599347 /nfs/dbraw/zinc/59/93/47/949599347.db2.gz OUUAKXHCJWEOKD-WMLDXEAASA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576167112 949599362 /nfs/dbraw/zinc/59/93/62/949599362.db2.gz OUUAKXHCJWEOKD-WMLDXEAASA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CC2CCC1CC2 ZINC001575272493 949645697 /nfs/dbraw/zinc/64/56/97/949645697.db2.gz RFVWZWAMMUCPHY-MVBPIPQGSA-N -1 3 397.523 3.747 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CC2CCC1CC2 ZINC001575272493 949645712 /nfs/dbraw/zinc/64/57/12/949645712.db2.gz RFVWZWAMMUCPHY-MVBPIPQGSA-N -1 3 397.523 3.747 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC2CCC1CC2 ZINC001575272491 949647412 /nfs/dbraw/zinc/64/74/12/949647412.db2.gz RFVWZWAMMUCPHY-ILCXRZRJSA-N -1 3 397.523 3.747 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC2CCC1CC2 ZINC001575272491 949647430 /nfs/dbraw/zinc/64/74/30/949647430.db2.gz RFVWZWAMMUCPHY-ILCXRZRJSA-N -1 3 397.523 3.747 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001574143049 949890138 /nfs/dbraw/zinc/89/01/38/949890138.db2.gz FLZJHKHPMBVSKB-QWHCGFSZSA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001574143049 949890157 /nfs/dbraw/zinc/89/01/57/949890157.db2.gz FLZJHKHPMBVSKB-QWHCGFSZSA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001573829501 949954818 /nfs/dbraw/zinc/95/48/18/949954818.db2.gz ZQRBUCGJOSMZJH-CQSZACIVSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001573829501 949954846 /nfs/dbraw/zinc/95/48/46/949954846.db2.gz ZQRBUCGJOSMZJH-CQSZACIVSA-N -1 3 396.520 3.655 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC001589722733 950429319 /nfs/dbraw/zinc/42/93/19/950429319.db2.gz AZRFRFCJNYMKGW-LJQANCHMSA-N -1 3 385.464 3.598 20 0 GHADHM CC(C)(C)OC(=O)NCCCCCCNc1cc(F)ccc1-c1nnn[n-]1 ZINC001573861081 950436969 /nfs/dbraw/zinc/43/69/69/950436969.db2.gz RZIZPGQSKGRAGF-UHFFFAOYSA-N -1 3 378.452 3.503 20 0 GHADHM CC(C)(C)OC(=O)NCCCCCCNc1cc(F)ccc1-c1nn[n-]n1 ZINC001573861081 950436984 /nfs/dbraw/zinc/43/69/84/950436984.db2.gz RZIZPGQSKGRAGF-UHFFFAOYSA-N -1 3 378.452 3.503 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@H]2C[C@H]2C)C1 ZINC001574167644 950489179 /nfs/dbraw/zinc/48/91/79/950489179.db2.gz GTEKZDXASHQXEH-VKJFTORMSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@H]2C[C@H]2C)C1 ZINC001574167644 950489184 /nfs/dbraw/zinc/48/91/84/950489184.db2.gz GTEKZDXASHQXEH-VKJFTORMSA-N -1 3 392.511 3.579 20 0 GHADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573864131 950497137 /nfs/dbraw/zinc/49/71/37/950497137.db2.gz ZWAWLWJYHHKIHI-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573864131 950497155 /nfs/dbraw/zinc/49/71/55/950497155.db2.gz ZWAWLWJYHHKIHI-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2scc(C(C)(C)C)c2-c2nnn[n-]2)C1 ZINC001573876697 950681079 /nfs/dbraw/zinc/68/10/79/950681079.db2.gz RXIZZSWYINPUOO-XYPYZODXSA-N -1 3 392.529 3.693 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2scc(C(C)(C)C)c2-c2nn[n-]n2)C1 ZINC001573876697 950681089 /nfs/dbraw/zinc/68/10/89/950681089.db2.gz RXIZZSWYINPUOO-XYPYZODXSA-N -1 3 392.529 3.693 20 0 GHADHM C[C@H]1CCN(c2cc(C(=O)Nc3cc4ccccc4cc3-c3nnn[n-]3)ccn2)C1 ZINC001576216404 950733856 /nfs/dbraw/zinc/73/38/56/950733856.db2.gz YWKRKPWPQKTRDQ-AWEZNQCLSA-N -1 3 399.458 3.513 20 0 GHADHM C[C@H]1CCN(c2cc(C(=O)Nc3cc4ccccc4cc3-c3nn[n-]n3)ccn2)C1 ZINC001576216404 950733875 /nfs/dbraw/zinc/73/38/75/950733875.db2.gz YWKRKPWPQKTRDQ-AWEZNQCLSA-N -1 3 399.458 3.513 20 0 GHADHM C[C@@H]1CCc2c(C(=O)N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)csc2C1 ZINC001576217295 950755993 /nfs/dbraw/zinc/75/59/93/950755993.db2.gz LWLMWBVMRNKATH-KZULUSFZSA-N -1 3 393.516 3.860 20 0 GHADHM C[C@@H]1CCc2c(C(=O)N[C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)csc2C1 ZINC001576217295 950756010 /nfs/dbraw/zinc/75/60/10/950756010.db2.gz LWLMWBVMRNKATH-KZULUSFZSA-N -1 3 393.516 3.860 20 0 GHADHM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001575640581 950896865 /nfs/dbraw/zinc/89/68/65/950896865.db2.gz IXPFPMMIDUTCLN-INIZCTEOSA-N -1 3 383.402 3.758 20 0 GHADHM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001575640581 950896875 /nfs/dbraw/zinc/89/68/75/950896875.db2.gz IXPFPMMIDUTCLN-INIZCTEOSA-N -1 3 383.402 3.758 20 0 GHADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001575019192 951034625 /nfs/dbraw/zinc/03/46/25/951034625.db2.gz SNHNBZXBHVCRAS-ZDUSSCGKSA-N -1 3 399.882 3.841 20 0 GHADHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001575019192 951034638 /nfs/dbraw/zinc/03/46/38/951034638.db2.gz SNHNBZXBHVCRAS-ZDUSSCGKSA-N -1 3 399.882 3.841 20 0 GHADHM O=C([O-])CN1CC[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)C1=O ZINC001595079868 951670729 /nfs/dbraw/zinc/67/07/29/951670729.db2.gz WAFHITSUOXCLJS-SJLPKXTDSA-N -1 3 398.425 3.602 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575184825 952424274 /nfs/dbraw/zinc/42/42/74/952424274.db2.gz DDVQQUKGCRMSIW-JTQLQIEISA-N -1 3 376.247 3.535 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575184825 952424278 /nfs/dbraw/zinc/42/42/78/952424278.db2.gz DDVQQUKGCRMSIW-JTQLQIEISA-N -1 3 376.247 3.535 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1c2ccccc2SC[C@@H]1C ZINC001575187486 952441796 /nfs/dbraw/zinc/44/17/96/952441796.db2.gz CMZHGPRLJOSYES-KGLIPLIRSA-N -1 3 379.489 3.573 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccccc2SC[C@@H]1C ZINC001575187486 952441797 /nfs/dbraw/zinc/44/17/97/952441797.db2.gz CMZHGPRLJOSYES-KGLIPLIRSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575187694 952444057 /nfs/dbraw/zinc/44/40/57/952444057.db2.gz DZHRKONMKPYWKF-FOIQADDNSA-N -1 3 395.482 3.568 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575187694 952444060 /nfs/dbraw/zinc/44/40/60/952444060.db2.gz DZHRKONMKPYWKF-FOIQADDNSA-N -1 3 395.482 3.568 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1(C)C ZINC001602917176 971875568 /nfs/dbraw/zinc/87/55/68/971875568.db2.gz QQPZUFAMFAPKQV-HYVNUMGLSA-N -1 3 378.513 3.652 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC001589280574 953504099 /nfs/dbraw/zinc/50/40/99/953504099.db2.gz GJQMFIYLSGARCG-MWLCHTKSSA-N -1 3 378.213 3.593 20 0 GHADHM C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000566219655 953619904 /nfs/dbraw/zinc/61/99/04/953619904.db2.gz GSTQBTPRHVUJBS-IFIJOSMWSA-N -1 3 399.318 3.700 20 0 GHADHM CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001593760605 954483108 /nfs/dbraw/zinc/48/31/08/954483108.db2.gz RDARLBLZFUGTFV-AZUAARDMSA-N -1 3 397.519 3.681 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)C[C@H]1C1CC1 ZINC001574777367 957771499 /nfs/dbraw/zinc/77/14/99/957771499.db2.gz CAUCIIBFKXKSRQ-WDEREUQCSA-N -1 3 382.247 3.586 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1ccccc1C(=O)[O-] ZINC001603234071 972359811 /nfs/dbraw/zinc/35/98/11/972359811.db2.gz FCEXVMPSARGNHB-RDJZCZTQSA-N -1 3 392.496 3.531 20 0 GHADHM Cc1nn(-c2ccccn2)c(Cl)c1CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594477521 959612374 /nfs/dbraw/zinc/61/23/74/959612374.db2.gz JAZXKAWCGTWPDO-ZWKOTPCHSA-N -1 3 396.878 3.529 20 0 GHADHM Cc1cc(C)c(N2CC[C@@H](N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC001574322096 960829619 /nfs/dbraw/zinc/82/96/19/960829619.db2.gz MYSWTHGVYXROAF-PWRODBHTSA-N -1 3 392.499 3.517 20 0 GHADHM O=C([O-])[C@]1(NC(=O)CCCCc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001526711925 962877188 /nfs/dbraw/zinc/87/71/88/962877188.db2.gz SNZAYODUWHFVPM-DEOSSOPVSA-N -1 3 394.515 3.635 20 0 GHADHM Cc1nn(C(C)(C)C)c2nc(Cl)c(CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc12 ZINC001605433728 973474989 /nfs/dbraw/zinc/47/49/89/973474989.db2.gz DCOHGUWUXVRZKU-JKSUJKDBSA-N -1 3 390.915 3.691 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(c3cccc(Br)c3)CC2)nc1 ZINC000565107031 974571494 /nfs/dbraw/zinc/57/14/94/974571494.db2.gz NBRKANNNHSIZQU-UHFFFAOYSA-N -1 3 375.266 3.922 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000583758151 974945594 /nfs/dbraw/zinc/94/55/94/974945594.db2.gz WKBHXZKVAHOVRJ-INIZCTEOSA-N -1 3 383.444 3.565 20 0 GHADHM CC(C)c1cccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001591987403 976612443 /nfs/dbraw/zinc/61/24/43/976612443.db2.gz PLTKZGUABCYGQF-GOSISDBHSA-N -1 3 376.497 3.706 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(C(F)(F)F)s1 ZINC001592267380 977512897 /nfs/dbraw/zinc/51/28/97/977512897.db2.gz CQUYDMOXZNHGSN-SNVBAGLBSA-N -1 3 386.395 3.972 20 0 GHADHM CC(C)[C@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001592268874 977525822 /nfs/dbraw/zinc/52/58/22/977525822.db2.gz KNXYFFCKDMWFPB-VLIAUNLRSA-N -1 3 394.475 3.965 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000756331628 978697764 /nfs/dbraw/zinc/69/77/64/978697764.db2.gz BATVZOLEKARKCN-RBUKOAKNSA-N -1 3 375.852 3.813 20 0 GHADHM C[C@@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)N1CCc2ccccc2C1 ZINC001592729622 979244671 /nfs/dbraw/zinc/24/46/71/979244671.db2.gz OETMUPIBEUCSQT-LBPRGKRZSA-N -1 3 379.382 3.657 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592868188 979718712 /nfs/dbraw/zinc/71/87/12/979718712.db2.gz VZUPZGIIFCOYFE-LZJOCLMNSA-N -1 3 395.503 3.734 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1)C(=O)[O-] ZINC001592868495 979720744 /nfs/dbraw/zinc/72/07/44/979720744.db2.gz YRUCWBGVXVNJDO-UWJYYQICSA-N -1 3 395.503 3.908 20 0 GHADHM CC[C@H](N[C@H](C)c1ccccc1OCC(=O)[O-])[C@H](O)c1c(F)cccc1F ZINC001595281193 980332000 /nfs/dbraw/zinc/33/20/00/980332000.db2.gz JYWABEMVBUMNIH-QROBEVECSA-N -1 3 379.403 3.591 20 0 GHADHM CC[C@@](NCc1ccc(S(=O)(=O)CC)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299954 980432779 /nfs/dbraw/zinc/43/27/79/980432779.db2.gz KTQRKPIINPBJQM-IBGZPJMESA-N -1 3 395.908 3.613 20 0 GHADHM CC[C@@H](c1ccc(Br)cc1)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001595360103 980748136 /nfs/dbraw/zinc/74/81/36/980748136.db2.gz PXGSRSVRRIYZKD-HNNXBMFYSA-N -1 3 381.270 3.596 20 0 GHADHM CCCN(C)[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc(Cl)cc1 ZINC001595836658 982743438 /nfs/dbraw/zinc/74/34/38/982743438.db2.gz HQBAGPDRUFPZDR-MDMXATFFSA-N -1 3 392.927 3.874 20 0 GHADHM CCCN(C)[C@H](CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001595836916 982745419 /nfs/dbraw/zinc/74/54/19/982745419.db2.gz QHWZPBHGTDTMCV-CNZFZVQHSA-N -1 3 390.867 3.844 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccco1 ZINC001594993926 982867364 /nfs/dbraw/zinc/86/73/64/982867364.db2.gz DKHSYYWLKXFJAL-ABAIWWIYSA-N -1 3 377.416 3.676 20 0 GHADHM CCOC(=O)c1cc(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)[nH]c1C ZINC001596707158 984913818 /nfs/dbraw/zinc/91/38/18/984913818.db2.gz QIZXJJYXCUQJIJ-LJQANCHMSA-N -1 3 378.856 3.633 20 0 GHADHM CCOCc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001596950714 986114513 /nfs/dbraw/zinc/11/45/13/986114513.db2.gz LFVKVCLHEPJFQW-QGZVFWFLSA-N -1 3 378.266 3.901 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC001597021272 986409715 /nfs/dbraw/zinc/40/97/15/986409715.db2.gz JKKAUBVJCBERAD-CZUORRHYSA-N -1 3 389.452 3.627 20 0 GHADHM CCOc1cc(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc(Cl)c1[O-] ZINC001597035281 986469513 /nfs/dbraw/zinc/46/95/13/986469513.db2.gz FEEGGFMILFVWOV-CZUORRHYSA-N -1 3 377.868 3.866 20 0 GHADHM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc([O-])ccc1Cl ZINC000468076952 1015232570 /nfs/dbraw/zinc/23/25/70/1015232570.db2.gz GYXZSAOFHISLGS-UHFFFAOYSA-N -1 3 389.864 3.744 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001589469407 986941596 /nfs/dbraw/zinc/94/15/96/986941596.db2.gz LGMOMJGUNYGIHJ-APPDUMDISA-N -1 3 381.259 3.984 20 0 GHADHM CCSc1ccc(CN[C@@](C)(COC)CC(=O)[O-])c(Br)c1 ZINC001597272538 987322404 /nfs/dbraw/zinc/32/24/04/987322404.db2.gz KDZWFJVPVXLKIX-OAHLLOKOSA-N -1 3 376.316 3.531 20 0 GHADHM COCC[C@@H]1CCCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000468136121 1015317105 /nfs/dbraw/zinc/31/71/05/1015317105.db2.gz KTFNQWLWAPNQEI-ZDUSSCGKSA-N -1 3 385.302 3.503 20 0 GHADHM CCc1[nH]c(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C(=O)[O-] ZINC001597386470 987605210 /nfs/dbraw/zinc/60/52/10/987605210.db2.gz LKBMPTFDJNTAJF-OAHLLOKOSA-N -1 3 385.512 3.821 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC001599811906 988351743 /nfs/dbraw/zinc/35/17/43/988351743.db2.gz JVSOBOVLWNMUJB-GOSISDBHSA-N -1 3 387.505 3.840 20 0 GHADHM CSc1ccc(OCCN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC001599820132 988498695 /nfs/dbraw/zinc/49/86/95/988498695.db2.gz MWNHZGYRPIPURV-MRXNPFEDSA-N -1 3 386.517 3.696 20 0 GHADHM CSc1cccc(N(C(=O)Cc2cccc(C(=O)[O-])c2)C2CCN(C)CC2)c1 ZINC001599821520 988522148 /nfs/dbraw/zinc/52/21/48/988522148.db2.gz CAKBYWHMRWIACM-UHFFFAOYSA-N -1 3 398.528 3.777 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599821575 988522842 /nfs/dbraw/zinc/52/28/42/988522842.db2.gz DHNLVCXGBXVGGP-UONOGXRCSA-N -1 3 388.489 3.550 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](NCc2cc(C(=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001589929092 988682353 /nfs/dbraw/zinc/68/23/53/988682353.db2.gz RIEUXTOYNOPIFW-HNNXBMFYSA-N -1 3 382.888 3.773 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(=O)[O-])c2ccccc2Cl)C12CCC2 ZINC001589982610 988857699 /nfs/dbraw/zinc/85/76/99/988857699.db2.gz JMLDUEPKNSTUNS-CVEARBPZSA-N -1 3 394.899 3.987 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2N[C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001589994297 988910836 /nfs/dbraw/zinc/91/08/36/988910836.db2.gz KYVUDQNUPZNCEJ-HZPDHXFCSA-N -1 3 394.899 3.845 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001589995137 988914561 /nfs/dbraw/zinc/91/45/61/988914561.db2.gz QOJKXNYAKLKDIK-MRXNPFEDSA-N -1 3 394.899 3.917 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001597766382 989212282 /nfs/dbraw/zinc/21/22/82/989212282.db2.gz PIZSJOGGRPVSNF-OYRHEFFESA-N -1 3 392.496 3.619 20 0 GHADHM CC(C)(C)OC(=O)NCCC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001590184807 989535133 /nfs/dbraw/zinc/53/51/33/989535133.db2.gz JHUGYDRZFRWFHY-IBGZPJMESA-N -1 3 399.491 3.916 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001590701260 990416244 /nfs/dbraw/zinc/41/62/44/990416244.db2.gz IJKHSLNKJJDPRU-UHFFFAOYSA-N -1 3 386.439 3.545 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000545127619 1015562708 /nfs/dbraw/zinc/56/27/08/1015562708.db2.gz LJFCHZYGTLPNJU-GOSISDBHSA-N -1 3 399.472 3.585 20 0 GHADHM CN(C)c1nc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(Cl)n1-c1ccccc1 ZINC001598349098 991444319 /nfs/dbraw/zinc/44/43/19/991444319.db2.gz VKMOQEXBWDYTHU-YWZLYKJASA-N -1 3 390.915 3.715 20 0 GHADHM CN(C1CCCC1)C(C)(C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598370571 991534059 /nfs/dbraw/zinc/53/40/59/991534059.db2.gz VHWKINXMHRKQSJ-UHFFFAOYSA-N -1 3 386.448 3.736 20 0 GHADHM COc1nsc(CNCCn2c3ccccc3c3ccccc32)c1C(=O)[O-] ZINC001599742933 991886068 /nfs/dbraw/zinc/88/60/68/991886068.db2.gz ULIXSOYSNKZWFH-UHFFFAOYSA-N -1 3 381.457 3.748 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598482742 992177322 /nfs/dbraw/zinc/17/73/22/992177322.db2.gz ABKSKFMBTPPKFG-VAWYXSNFSA-N -1 3 397.450 3.982 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001591396762 992461162 /nfs/dbraw/zinc/46/11/62/992461162.db2.gz OUHOTMFSJHXTFA-UHFFFAOYSA-N -1 3 384.476 3.883 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC(Cc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000468444985 1015713272 /nfs/dbraw/zinc/71/32/72/1015713272.db2.gz LEEKCMYTBCXHEA-UHFFFAOYSA-N -1 3 389.499 3.559 20 0 GHADHM CN(Cc1cccc2c1OCC2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598527490 992737468 /nfs/dbraw/zinc/73/74/68/992737468.db2.gz ZIDRMECAGWGEBA-MRXNPFEDSA-N -1 3 376.250 3.642 20 0 GHADHM CN1CC[C@@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001598586383 993388558 /nfs/dbraw/zinc/38/85/58/993388558.db2.gz NUTVGTRVFWFPOS-QUCCMNQESA-N -1 3 399.516 3.820 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000468542559 1015790006 /nfs/dbraw/zinc/79/00/06/1015790006.db2.gz OIFQNYVIIHKIHD-UHFFFAOYSA-N -1 3 392.858 3.983 20 0 GHADHM COc1ccc2oc([C@H](C)NC[C@@H](O)COc3ccc(C(=O)[O-])cc3)c(C)c2c1 ZINC001599638151 994318934 /nfs/dbraw/zinc/31/89/34/994318934.db2.gz WQDGYXAIVSCSDQ-GOEBONIOSA-N -1 3 399.443 3.539 20 0 GHADHM C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1cc(C(=O)[O-])cs1 ZINC001593292152 994674846 /nfs/dbraw/zinc/67/48/46/994674846.db2.gz IOKXIKICQHOBBB-GFCCVEGCSA-N -1 3 380.897 3.787 20 0 GHADHM C[C@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001593292438 994676868 /nfs/dbraw/zinc/67/68/68/994676868.db2.gz LUNRKSNUOCQFFS-VIFPVBQESA-N -1 3 391.221 3.845 20 0 GHADHM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc2ccccc21 ZINC001593353609 994982244 /nfs/dbraw/zinc/98/22/44/994982244.db2.gz BLNVOTOEXHBUEX-CVEARBPZSA-N -1 3 376.456 3.894 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000468761411 1016005298 /nfs/dbraw/zinc/00/52/98/1016005298.db2.gz AOPPVKXRVIATFB-UHFFFAOYSA-N -1 3 377.462 3.527 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001593689178 996131352 /nfs/dbraw/zinc/13/13/52/996131352.db2.gz BVLSTSGFKLBIOZ-VBKZILBWSA-N -1 3 378.469 3.762 20 0 GHADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(I)cc1[O-] ZINC001138176442 1016022039 /nfs/dbraw/zinc/02/20/39/1016022039.db2.gz GLSAAPRVRBNRBB-SNVBAGLBSA-N -1 3 399.203 3.953 20 0 GHADHM Cc1nc(C)c(CC(=O)NCc2c(OC(C)C)ccc3ccccc32)c(=O)[n-]1 ZINC000468792431 1016037996 /nfs/dbraw/zinc/03/79/96/1016037996.db2.gz BRGVNEGBYQOSLO-UHFFFAOYSA-N -1 3 379.460 3.598 20 0 GHADHM COCc1cc(NC(=O)c2oc3ccccc3c2CN(C)C)cc(C(=O)[O-])c1 ZINC001599287672 997008471 /nfs/dbraw/zinc/00/84/71/997008471.db2.gz FEEDNKBGIFBGTN-UHFFFAOYSA-N -1 3 382.416 3.591 20 0 GHADHM Cc1nc(C)c(Cc2nc(Cc3nc4cc(Cl)ccc4s3)no2)c(=O)[n-]1 ZINC000545598888 1016086857 /nfs/dbraw/zinc/08/68/57/1016086857.db2.gz WMKOHPUTZNKIES-UHFFFAOYSA-N -1 3 387.852 3.627 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC001599498670 997067956 /nfs/dbraw/zinc/06/79/56/997067956.db2.gz FERFOOGGBBUUEH-UHFFFAOYSA-N -1 3 390.867 3.733 20 0 GHADHM COC[C@@]1(C)CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001599196935 997234887 /nfs/dbraw/zinc/23/48/87/997234887.db2.gz WLLJDGCOSHCZGB-SFHVURJKSA-N -1 3 398.290 3.736 20 0 GHADHM COc1cc(CN(C)C[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1OCc1ccccc1 ZINC001599405574 997291209 /nfs/dbraw/zinc/29/12/09/997291209.db2.gz FOONMJLOQFFTBE-LPHOPBHVSA-N -1 3 391.414 3.672 20 0 GHADHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC001599405669 997293019 /nfs/dbraw/zinc/29/30/19/997293019.db2.gz FSWZEDXGADYMHA-KRWDZBQOSA-N -1 3 383.366 3.980 20 0 GHADHM COCC1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCCCC1 ZINC001599200709 997299993 /nfs/dbraw/zinc/29/99/93/997299993.db2.gz QOPMRZQTDLZHNM-UHFFFAOYSA-N -1 3 389.279 3.569 20 0 GHADHM COc1ccc([C@@H](NCCOc2cc(Cl)ccc2Cl)C(=O)[O-])cc1O ZINC001599527304 997582769 /nfs/dbraw/zinc/58/27/69/997582769.db2.gz LTRMTZRPLRLFJZ-MRXNPFEDSA-N -1 3 386.231 3.502 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])cc1Cl ZINC001599530446 997640566 /nfs/dbraw/zinc/64/05/66/997640566.db2.gz DCASRAXZEYAPBI-QGZVFWFLSA-N -1 3 385.794 3.908 20 0 GHADHM COc1cc(NC2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc(OC)c1 ZINC001599442902 997958740 /nfs/dbraw/zinc/95/87/40/997958740.db2.gz KVANWBMGXKNWSI-UHFFFAOYSA-N -1 3 376.478 3.540 20 0 GHADHM COc1ccccc1OC[C@@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468897553 1016185301 /nfs/dbraw/zinc/18/53/01/1016185301.db2.gz IYIMPFFSIRDXRS-HNNXBMFYSA-N -1 3 375.440 3.694 20 0 GHADHM COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c(C)c1 ZINC001599560380 998181109 /nfs/dbraw/zinc/18/11/09/998181109.db2.gz DWOKSMMZAAMLEW-LJQANCHMSA-N -1 3 385.460 3.595 20 0 GHADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCCC(C)(F)F)c1 ZINC001599475158 998518709 /nfs/dbraw/zinc/51/87/09/998518709.db2.gz SIKCXSWYVMXIMC-CYBMUJFWSA-N -1 3 380.229 3.951 20 0 GHADHM COC(=O)c1ccc(CN(CCC(=O)[O-])Cc2ccccc2)c(C(F)(F)F)c1 ZINC001598972300 998540604 /nfs/dbraw/zinc/54/06/04/998540604.db2.gz ONXUMXOVPBHWAP-UHFFFAOYSA-N -1 3 395.377 3.969 20 0 GHADHM C[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001594176610 998679719 /nfs/dbraw/zinc/67/97/19/998679719.db2.gz JCORWSBLCACSDX-BRWVUGGUSA-N -1 3 392.503 3.744 20 0 GHADHM COC(=O)c1cccc([C@H](NCc2ccc3cc(OC)ccc3c2)C(=O)[O-])c1 ZINC001598994573 998767628 /nfs/dbraw/zinc/76/76/28/998767628.db2.gz HVVKOHFVWCQTCY-FQEVSTJZSA-N -1 3 379.412 3.551 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000557849900 1017059070 /nfs/dbraw/zinc/05/90/70/1017059070.db2.gz SCCOIUGGGYWDIT-RKDXNWHRSA-N -1 3 390.196 3.637 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001226901317 1032184571 /nfs/dbraw/zinc/18/45/71/1032184571.db2.gz FNKISHJWYHVZHH-KBPBESRZSA-N -1 3 381.402 3.739 20 0 GHADHM CCc1ccc2ccccc2c1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001226901930 1032185048 /nfs/dbraw/zinc/18/50/48/1032185048.db2.gz MAWAVFVVMYVKBC-UHFFFAOYSA-N -1 3 377.370 3.539 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(F)c1[N-]C(=O)c1nnc2ccccc2n1 ZINC001154622611 1032216486 /nfs/dbraw/zinc/21/64/86/1032216486.db2.gz BZXHPUVRUXKJNH-UHFFFAOYSA-N -1 3 383.383 3.763 20 0 GHADHM CS(=O)(=O)N(C(=O)c1cc2oc(-c3ccccc3)cc2[n-]1)c1cccc(N)c1 ZINC001154681201 1032234182 /nfs/dbraw/zinc/23/41/82/1032234182.db2.gz JFQGEPGILXXHNW-UHFFFAOYSA-N -1 3 395.440 3.617 20 0 GHADHM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC001154840719 1032304354 /nfs/dbraw/zinc/30/43/54/1032304354.db2.gz UZPMUVZYVUWYDV-OPAMFIHVSA-N -1 3 392.503 3.562 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc3ncc(O)cc32)c([O-])c1 ZINC001155051757 1032395567 /nfs/dbraw/zinc/39/55/67/1032395567.db2.gz DBJIGPQUWBLNBN-UHFFFAOYSA-N -1 3 380.400 3.854 20 0 GHADHM CC(C)Oc1cncc(COc2cccc([O-])c2I)c1 ZINC001227378549 1032396195 /nfs/dbraw/zinc/39/61/95/1032396195.db2.gz UDODCTQGWBOCEA-UHFFFAOYSA-N -1 3 385.201 3.758 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)[C@@H](F)CC1 ZINC001227586361 1032473802 /nfs/dbraw/zinc/47/38/02/1032473802.db2.gz KFNZHVGCRZDGBA-NWDGAFQWSA-N -1 3 394.365 3.922 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3cc(=O)cc(C(F)(F)F)[n-]3)C2)C1 ZINC001227586734 1032474900 /nfs/dbraw/zinc/47/49/00/1032474900.db2.gz OOHPSRMKQYGXBO-UHFFFAOYSA-N -1 3 388.386 3.974 20 0 GHADHM [O-]c1cc(Br)cc(F)c1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001227588362 1032475010 /nfs/dbraw/zinc/47/50/10/1032475010.db2.gz ROVSTIAUCOYMEJ-HNNXBMFYSA-N -1 3 396.256 3.574 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227588124 1032475129 /nfs/dbraw/zinc/47/51/29/1032475129.db2.gz PBVATVWQYAXXAT-SDDRHHMPSA-N -1 3 395.265 3.518 20 0 GHADHM C[C@@H]1C[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227582649 1032472192 /nfs/dbraw/zinc/47/21/92/1032472192.db2.gz CMQXAEJIJYLWCC-ZYHUDNBSSA-N -1 3 376.375 3.973 20 0 GHADHM COC(=O)c1ccc([O-])c(OC2CC(c3ccc(Br)cc3)C2)n1 ZINC001227820084 1032629197 /nfs/dbraw/zinc/62/91/97/1032629197.db2.gz NMRWYDXYZMQWEK-UHFFFAOYSA-N -1 3 378.222 3.661 20 0 GHADHM CN(C)Cc1csc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC001155671033 1032632566 /nfs/dbraw/zinc/63/25/66/1032632566.db2.gz XBXPWDYTWINFLM-UHFFFAOYSA-N -1 3 383.473 3.633 20 0 GHADHM CCCOc1c(Br)cc(C(=O)Nc2nc(C)ccc2[O-])cc1OC ZINC000558289446 1017164529 /nfs/dbraw/zinc/16/45/29/1017164529.db2.gz KGFUYARCIAFVJC-UHFFFAOYSA-N -1 3 395.253 3.908 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c1 ZINC000928356012 1017515551 /nfs/dbraw/zinc/51/55/51/1017515551.db2.gz GBRLALRODWFJFN-CYBMUJFWSA-N -1 3 394.294 3.644 20 0 GHADHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1c(F)cc(Br)cc1F ZINC001228006137 1032735025 /nfs/dbraw/zinc/73/50/25/1032735025.db2.gz ZJBMMFPXYLVLNZ-SSDOTTSWSA-N -1 3 382.164 3.911 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@](C)(O)c2ccccc2)c1Cl ZINC000778141217 1018727562 /nfs/dbraw/zinc/72/75/62/1018727562.db2.gz IQOFOEHKNYQPLH-KRWDZBQOSA-N -1 3 388.316 3.878 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CO[C@H](C)CO[C@@H](C)COC ZINC001228135170 1032802585 /nfs/dbraw/zinc/80/25/85/1032802585.db2.gz XLDKBFOSPRPGBI-ARFHVFGLSA-N -1 3 382.497 3.771 20 0 GHADHM Cc1cc(I)cnc1NC(=O)c1cc([O-])ccc1Cl ZINC000564507984 1019085840 /nfs/dbraw/zinc/08/58/40/1019085840.db2.gz XIYFZCIXLJGYMX-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2csc(-c3cccs3)n2)nc(C2CC2)[n-]1 ZINC000564642893 1019098048 /nfs/dbraw/zinc/09/80/48/1019098048.db2.gz AVEJOFVPPIQCOX-XMMPIXPASA-N -1 3 377.516 3.694 20 0 GHADHM CCOC(=O)C[C@@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])C(F)(F)F ZINC001228153015 1032810755 /nfs/dbraw/zinc/81/07/55/1032810755.db2.gz XRQGBMZKUBQUBC-MRXNPFEDSA-N -1 3 382.334 3.886 20 0 GHADHM COc1cncc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000568557791 1019422362 /nfs/dbraw/zinc/42/23/62/1019422362.db2.gz NBNBILPJZLWCOE-UHFFFAOYSA-N -1 3 397.500 3.523 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CC[C@@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000575734046 1019941073 /nfs/dbraw/zinc/94/10/73/1019941073.db2.gz DLUYCAIVISDGRI-YVEFUNNKSA-N -1 3 387.480 3.794 20 0 GHADHM COc1ccc(C2(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)CCCCC2)cc1 ZINC000575933883 1019959226 /nfs/dbraw/zinc/95/92/26/1019959226.db2.gz YOLUEMSCLDAPHN-UHFFFAOYSA-N -1 3 381.476 3.700 20 0 GHADHM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000576575966 1020035784 /nfs/dbraw/zinc/03/57/84/1020035784.db2.gz FBVZSXDRMPRGRD-UHFFFAOYSA-N -1 3 388.386 3.597 20 0 GHADHM CCc1nc(CN2CCN(c3c(C(=O)[O-])cnc4ccc(C)cc43)CC2)cs1 ZINC000578073498 1020317853 /nfs/dbraw/zinc/31/78/53/1020317853.db2.gz NNNQUDRCFVSBDU-UHFFFAOYSA-N -1 3 396.516 3.583 20 0 GHADHM CC(C)n1ncc2c1cc(Br)cc2C(=O)Nc1cncc([O-])c1 ZINC001156137265 1032896521 /nfs/dbraw/zinc/89/65/21/1032896521.db2.gz UQMLEHPIJXNZAY-UHFFFAOYSA-N -1 3 375.226 3.733 20 0 GHADHM S=c1nc(-c2ccccc2)cc(OC2CCN(c3ccnc(Cl)n3)CC2)[n-]1 ZINC001228346426 1032900915 /nfs/dbraw/zinc/90/09/15/1032900915.db2.gz HNBFODXQKUUFQM-UHFFFAOYSA-N -1 3 399.907 3.924 20 0 GHADHM [O-]c1c(Br)cccc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190024741 1020537125 /nfs/dbraw/zinc/53/71/25/1020537125.db2.gz OGMZUVBCTIENJI-UHFFFAOYSA-N -1 3 398.247 3.917 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001156285731 1032958832 /nfs/dbraw/zinc/95/88/32/1032958832.db2.gz RFSJMQNRBUGWMC-CYBMUJFWSA-N -1 3 384.858 3.934 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC000800834415 1021341015 /nfs/dbraw/zinc/34/10/15/1021341015.db2.gz XMHDALMCZMMLII-UHFFFAOYSA-N -1 3 386.256 3.932 20 0 GHADHM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000901957499 1021467419 /nfs/dbraw/zinc/46/74/19/1021467419.db2.gz QYYHCEVBERCAHA-AUEOTKQJSA-N -1 3 382.460 3.675 20 0 GHADHM O=C([O-])C[C@@H]1CSCCN1Cc1cccc(OCc2ccccc2F)c1 ZINC000901984009 1021471925 /nfs/dbraw/zinc/47/19/25/1021471925.db2.gz XTECZGPCMKTMRY-QGZVFWFLSA-N -1 3 375.465 3.797 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001156322349 1032985188 /nfs/dbraw/zinc/98/51/88/1032985188.db2.gz DFSRMQKXUUNOHQ-FQEVSTJZSA-N -1 3 398.469 3.809 20 0 GHADHM Cc1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c(Br)c1 ZINC000903925365 1021658507 /nfs/dbraw/zinc/65/85/07/1021658507.db2.gz STICJTNKJYWQFT-LBPRGKRZSA-N -1 3 381.295 3.902 20 0 GHADHM O=C([O-])c1ccc(N2CCC(NCc3conc3Cc3ccccc3)CC2)cc1 ZINC000903993454 1021667173 /nfs/dbraw/zinc/66/71/73/1021667173.db2.gz ICFLCHLSWVCMIW-UHFFFAOYSA-N -1 3 391.471 3.722 20 0 GHADHM COc1ccc(CCN(Cc2cccc([O-])c2Br)C[C@H](C)O)cc1 ZINC001140547201 1021948276 /nfs/dbraw/zinc/94/82/76/1021948276.db2.gz BNKVEXBXWBOGCR-AWEZNQCLSA-N -1 3 394.309 3.589 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc([O-])c3Br)C[C@H]21 ZINC001140550750 1021953107 /nfs/dbraw/zinc/95/31/07/1021953107.db2.gz ZSJNOWHEBKRXGC-GXTWGEPZSA-N -1 3 397.313 3.596 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001228621469 1033012982 /nfs/dbraw/zinc/01/29/82/1033012982.db2.gz AEKYUOSJDYKDLC-ZIAGYGMSSA-N -1 3 389.448 3.974 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1[O-] ZINC000754262727 1022566527 /nfs/dbraw/zinc/56/65/27/1022566527.db2.gz ROPOCTTWUNANOI-AWEZNQCLSA-N -1 3 387.432 3.519 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1cc(-c2ccccc2)no1 ZINC001228717419 1033061782 /nfs/dbraw/zinc/06/17/82/1033061782.db2.gz ZBCYOPRAQCETBD-LBPRGKRZSA-N -1 3 385.445 3.666 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000754321001 1022618437 /nfs/dbraw/zinc/61/84/37/1022618437.db2.gz AFLPFZNYKKKTDY-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM [O-]c1c(Cl)cc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc1Cl ZINC001140831811 1022653769 /nfs/dbraw/zinc/65/37/69/1022653769.db2.gz VWGTZCBDKCPPQZ-CHWSQXEVSA-N -1 3 384.332 3.719 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccnc1Oc1cccc(C)c1C ZINC000836316326 1022864558 /nfs/dbraw/zinc/86/45/58/1022864558.db2.gz QVRYUPKJLVQDAW-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000836316326 1022864566 /nfs/dbraw/zinc/86/45/66/1022864566.db2.gz QVRYUPKJLVQDAW-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CC(C)CN1C(=O)CC2(CCN(Cc3ccc(C(=O)[O-])o3)CC2)c2ccccc21 ZINC001140946936 1022956954 /nfs/dbraw/zinc/95/69/54/1022956954.db2.gz MWGKREKVLUSIRR-UHFFFAOYSA-N -1 3 396.487 3.904 20 0 GHADHM [O-]c1c(F)cc(CN2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1F ZINC001140988963 1023094633 /nfs/dbraw/zinc/09/46/33/1023094633.db2.gz SGYOSAMTMGVTNK-UHFFFAOYSA-N -1 3 394.487 3.599 20 0 GHADHM Cc1ccc(N2C[C@]3(CCN(Cc4cc(F)c([O-])c(F)c4)C3)CC2=O)s1 ZINC001140989744 1023099827 /nfs/dbraw/zinc/09/98/27/1023099827.db2.gz CONAEDQWKGDCJH-LJQANCHMSA-N -1 3 378.444 3.669 20 0 GHADHM Cc1nc(NC([O-])=NOCC(F)F)sc1Cc1ccc(F)c(F)c1F ZINC000836758351 1023343175 /nfs/dbraw/zinc/34/31/75/1023343175.db2.gz RBPNPACMZSKSEC-UHFFFAOYSA-N -1 3 381.326 3.778 20 0 GHADHM Cc1nc(NC(=O)[N-]OCC(F)F)sc1Cc1ccc(F)c(F)c1F ZINC000836758351 1023343186 /nfs/dbraw/zinc/34/31/86/1023343186.db2.gz RBPNPACMZSKSEC-UHFFFAOYSA-N -1 3 381.326 3.778 20 0 GHADHM CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc4sccc4c([O-])c3)c2)C1=O ZINC001156624408 1033135660 /nfs/dbraw/zinc/13/56/60/1033135660.db2.gz BGTWXXOPIDWOBX-OAHLLOKOSA-N -1 3 395.440 3.694 20 0 GHADHM Cc1cc(CNC(=O)c2cccc3n[n-]nc32)cc(NC(=O)OC(C)(C)C)c1 ZINC000836946139 1023492103 /nfs/dbraw/zinc/49/21/03/1023492103.db2.gz UMYXSQQNAYPCDO-UHFFFAOYSA-N -1 3 381.436 3.543 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000756352595 1023602068 /nfs/dbraw/zinc/60/20/68/1023602068.db2.gz WWZCEMWTMRDLHC-KRWDZBQOSA-N -1 3 379.382 3.616 20 0 GHADHM O=C([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)C(F)(F)c1nccs1 ZINC000756444980 1023653689 /nfs/dbraw/zinc/65/36/89/1023653689.db2.gz HILFRKPOVURHEN-UHFFFAOYSA-N -1 3 379.363 3.878 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000837238334 1024271297 /nfs/dbraw/zinc/27/12/97/1024271297.db2.gz WTRORKOWKHPJRX-ZBFHGGJFSA-N -1 3 376.497 3.578 20 0 GHADHM Cc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)ccc1NC(=O)CC(C)C ZINC000837548572 1024544596 /nfs/dbraw/zinc/54/45/96/1024544596.db2.gz PWTVPZVCURMZKB-UHFFFAOYSA-N -1 3 383.448 3.710 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC(Oc4cnccn4)CC3)cc2)c1 ZINC001141359823 1024701127 /nfs/dbraw/zinc/70/11/27/1024701127.db2.gz HJMCBBRUNIOEQF-UHFFFAOYSA-N -1 3 389.455 3.885 20 0 GHADHM CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000832189819 1025300428 /nfs/dbraw/zinc/30/04/28/1025300428.db2.gz JPDUHCFKHRCAKK-QGZVFWFLSA-N -1 3 381.501 3.853 20 0 GHADHM O=C([N-]Cc1nnc(-c2ccncc2)[nH]1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001162036310 1025553371 /nfs/dbraw/zinc/55/33/71/1025553371.db2.gz QDKGGPPHIPCBJE-UHFFFAOYSA-N -1 3 398.200 3.582 20 0 GHADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1[n-]cnc1C(F)(F)F ZINC000832486584 1025601665 /nfs/dbraw/zinc/60/16/65/1025601665.db2.gz VXNUYASHZCNAAW-UHFFFAOYSA-N -1 3 378.276 3.559 20 0 GHADHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1nc[n-]c1C(F)(F)F ZINC000832486584 1025601670 /nfs/dbraw/zinc/60/16/70/1025601670.db2.gz VXNUYASHZCNAAW-UHFFFAOYSA-N -1 3 378.276 3.559 20 0 GHADHM CCc1cc2c(CN[C@@H](C(=O)OC)c3ccc(C)c(C)c3)cc(=O)oc2cc1[O-] ZINC000839144797 1025639079 /nfs/dbraw/zinc/63/90/79/1025639079.db2.gz OSMWHVNHWAZKLC-JOCHJYFZSA-N -1 3 395.455 3.682 20 0 GHADHM Cc1cccc(-c2cc(C(F)(F)Nc3cnc(C)[n-]c3=O)cnc2Cl)c1 ZINC001162305384 1025708945 /nfs/dbraw/zinc/70/89/45/1025708945.db2.gz FOPVMXBQQZDOLN-HNNXBMFYSA-N -1 3 376.794 3.747 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)C[C@@H]1C ZINC001461026580 1069345510 /nfs/dbraw/zinc/34/55/10/1069345510.db2.gz MWAXCAVFHGHNHQ-VRKREXBASA-N -1 3 382.426 3.695 20 0 GHADHM COc1cccc(CN(C)CCc2ccc(C(F)(F)F)cc2)c1OCC(=O)[O-] ZINC001139272217 1026119777 /nfs/dbraw/zinc/11/97/77/1026119777.db2.gz LBMNSNFGWBNEHA-UHFFFAOYSA-N -1 3 397.393 3.852 20 0 GHADHM O=c1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)c2ccc([O-])cc2o1 ZINC000839651652 1026170322 /nfs/dbraw/zinc/17/03/22/1026170322.db2.gz IULZUVHTNPVDOV-JOCHJYFZSA-N -1 3 377.440 3.852 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC001164262259 1026468204 /nfs/dbraw/zinc/46/82/04/1026468204.db2.gz ODLSZCIDNRGSHE-UHFFFAOYSA-N -1 3 399.491 3.684 20 0 GHADHM O=C1S/C(=C/c2cccs2)C(=O)N1Cc1nnc(-c2ccccc2[O-])o1 ZINC001165471965 1026735894 /nfs/dbraw/zinc/73/58/94/1026735894.db2.gz ZRSIEQHNFLBELT-MDWZMJQESA-N -1 3 385.426 3.740 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1cccc(OC(F)(F)F)c1F ZINC001209813902 1027209791 /nfs/dbraw/zinc/20/97/91/1027209791.db2.gz ZCTOLKAOLBQYKS-CHWSQXEVSA-N -1 3 389.370 3.634 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(O)c(C(F)(F)F)c1)OCC ZINC001209984320 1027301299 /nfs/dbraw/zinc/30/12/99/1027301299.db2.gz LINAJCAGXLATRQ-UHFFFAOYSA-N -1 3 387.358 3.592 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC001141843685 1027414150 /nfs/dbraw/zinc/41/41/50/1027414150.db2.gz RSPPICKRSNMXKJ-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC001141843685 1027414158 /nfs/dbraw/zinc/41/41/58/1027414158.db2.gz RSPPICKRSNMXKJ-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)[N-]O[C@H](CO)C(C)C ZINC000840470096 1027557371 /nfs/dbraw/zinc/55/73/71/1027557371.db2.gz LLZWQCXMXJRXKT-OAQYLSRUSA-N -1 3 378.472 3.817 20 0 GHADHM CC(=O)c1ncc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000840693942 1027732999 /nfs/dbraw/zinc/73/29/99/1027732999.db2.gz HUKOPROELAFVEY-QMMMGPOBSA-N -1 3 377.447 3.591 20 0 GHADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)OC ZINC001211111974 1027793945 /nfs/dbraw/zinc/79/39/45/1027793945.db2.gz OHIWPISDQGMNNX-ZDUSSCGKSA-N -1 3 396.322 3.708 20 0 GHADHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCC1 ZINC001211467444 1027974412 /nfs/dbraw/zinc/97/44/12/1027974412.db2.gz YHBZJJZHRZQQSQ-UHFFFAOYSA-N -1 3 383.872 3.888 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC2(C(=O)OC(C)(C)C)CCC2)sc1Cl ZINC001213240423 1028063592 /nfs/dbraw/zinc/06/35/92/1028063592.db2.gz QQLUXAZJURULMT-UHFFFAOYSA-N -1 3 379.931 3.500 20 0 GHADHM Cc1cc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c(Br)cc1F ZINC001213258930 1028074586 /nfs/dbraw/zinc/07/45/86/1028074586.db2.gz JWCIRICVFWSCCY-UHFFFAOYSA-N -1 3 391.200 3.987 20 0 GHADHM [O-]c1cc(Cl)c(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(Cl)c1 ZINC001142109352 1028130575 /nfs/dbraw/zinc/13/05/75/1028130575.db2.gz NKGVLCALNCDFMP-YJYMSZOUSA-N -1 3 395.286 3.621 20 0 GHADHM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142115114 1028158498 /nfs/dbraw/zinc/15/84/98/1028158498.db2.gz XOVVVIZZZKOBKY-CQSZACIVSA-N -1 3 386.300 3.747 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC001213643450 1028307426 /nfs/dbraw/zinc/30/74/26/1028307426.db2.gz CYQKUBSDDUYPKL-CZUORRHYSA-N -1 3 387.835 3.676 20 0 GHADHM CCSc1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001213648041 1028310100 /nfs/dbraw/zinc/31/01/00/1028310100.db2.gz CGZPENPGZFTWIJ-UHFFFAOYSA-N -1 3 397.909 3.509 20 0 GHADHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001213765331 1028369568 /nfs/dbraw/zinc/36/95/68/1028369568.db2.gz DRFMUTSDAYTUMA-NRFANRHFSA-N -1 3 389.517 3.741 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(C(F)(F)F)cnc1C)OCC ZINC001213826482 1028393161 /nfs/dbraw/zinc/39/31/61/1028393161.db2.gz IABCTIICRZMDFP-UHFFFAOYSA-N -1 3 386.374 3.590 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)C1CCOCC1 ZINC001213875293 1028423199 /nfs/dbraw/zinc/42/31/99/1028423199.db2.gz JGRAKIYPBQPMGM-UHFFFAOYSA-N -1 3 396.372 3.550 20 0 GHADHM Cc1cccc([C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OC(C)(C)C)c1 ZINC001213910646 1028445257 /nfs/dbraw/zinc/44/52/57/1028445257.db2.gz XILLZTREFGHBEA-HNNXBMFYSA-N -1 3 391.480 3.733 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(C)cc3Br)no2)[n-]1 ZINC001213975136 1028483256 /nfs/dbraw/zinc/48/32/56/1028483256.db2.gz UHGVJFWHUMXCRW-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)cc1F ZINC001214048495 1028522603 /nfs/dbraw/zinc/52/26/03/1028522603.db2.gz KUKMHIUVLDBXLA-KBPBESRZSA-N -1 3 398.297 3.745 20 0 GHADHM CC(C)Oc1ccc(Br)cc1-c1noc(-c2ccc([O-])c(=O)[nH]2)n1 ZINC001214535651 1028780437 /nfs/dbraw/zinc/78/04/37/1028780437.db2.gz AHCNSJFOSWMMFU-UHFFFAOYSA-N -1 3 392.209 3.760 20 0 GHADHM CC(=O)N1CCC(Cn2ncc(C)c2Nc2c(Cl)ccc([O-])c2F)CC1 ZINC001214558487 1028793410 /nfs/dbraw/zinc/79/34/10/1028793410.db2.gz XYGYUFWPIHNHQL-UHFFFAOYSA-N -1 3 380.851 3.692 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001142435221 1028907164 /nfs/dbraw/zinc/90/71/64/1028907164.db2.gz RWKARHBOZCHTHG-AWEZNQCLSA-N -1 3 397.884 3.577 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1c(F)ccc(C(C)=O)c1F ZINC001214771263 1028907849 /nfs/dbraw/zinc/90/78/49/1028907849.db2.gz FYPUZPMKVMHAJN-UHFFFAOYSA-N -1 3 379.388 3.529 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1c(F)ccc(C(C)=O)c1F ZINC001214771263 1028907852 /nfs/dbraw/zinc/90/78/52/1028907852.db2.gz FYPUZPMKVMHAJN-UHFFFAOYSA-N -1 3 379.388 3.529 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001214862796 1028942665 /nfs/dbraw/zinc/94/26/65/1028942665.db2.gz ILTXIUJLABAGRO-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@@H](CC(F)F)C(=O)[O-] ZINC000841807287 1028954446 /nfs/dbraw/zinc/95/44/46/1028954446.db2.gz PQTLZGDWWHWWCR-ZDUSSCGKSA-N -1 3 392.233 3.745 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1CN[C@H](CCSc1ccccc1)C(=O)[O-] ZINC000841811345 1028958894 /nfs/dbraw/zinc/95/88/94/1028958894.db2.gz FUSPYEMUMXNTKU-OAHLLOKOSA-N -1 3 381.929 3.922 20 0 GHADHM [O-]c1ccccc1-c1nc(-c2ccc(I)cc2F)no1 ZINC001215139720 1029054052 /nfs/dbraw/zinc/05/40/52/1029054052.db2.gz MNQKXLNYCICEAQ-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(Br)c3OC)no2)c1[O-] ZINC001215141903 1029055856 /nfs/dbraw/zinc/05/58/56/1029055856.db2.gz HXPJLPGWPGIHEL-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1cc(-c2nc(-c3ncc(C)cc3Br)no2)cc(OC)c1[O-] ZINC001215210338 1029091905 /nfs/dbraw/zinc/09/19/05/1029091905.db2.gz CHUQXHAAQRDNDG-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COc1cc(Br)c(-c2noc(-c3c([O-])cccc3O)n2)cc1OC ZINC001215302357 1029140712 /nfs/dbraw/zinc/14/07/12/1029140712.db2.gz XZKPMQCCKBETOY-UHFFFAOYSA-N -1 3 393.193 3.595 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC001142710624 1029311699 /nfs/dbraw/zinc/31/16/99/1029311699.db2.gz KTLDMDOJCXZSBU-HXUWFJFHSA-N -1 3 385.826 3.625 20 0 GHADHM Cc1coc(-c2cc(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)ccc2C)n1 ZINC001215730223 1029373114 /nfs/dbraw/zinc/37/31/14/1029373114.db2.gz PQGDFBNUSMROQW-JTQLQIEISA-N -1 3 394.357 3.978 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Br ZINC001142791092 1029462227 /nfs/dbraw/zinc/46/22/27/1029462227.db2.gz NVHDXKLEBYOUJL-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Br ZINC001142791092 1029462231 /nfs/dbraw/zinc/46/22/31/1029462231.db2.gz NVHDXKLEBYOUJL-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM COC(=O)c1ccnnc1[N-]c1c(F)c(Cl)cc(Br)c1F ZINC001216024708 1029498853 /nfs/dbraw/zinc/49/88/53/1029498853.db2.gz PPLOIOKSDDEHLT-UHFFFAOYSA-N -1 3 378.560 3.701 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(N(C)C)c(Cl)c1)c1ccccc1N ZINC001216062833 1029513367 /nfs/dbraw/zinc/51/33/67/1029513367.db2.gz CTPLWPNITHASNA-UHFFFAOYSA-N -1 3 378.885 3.767 20 0 GHADHM Nc1ccc(S(=O)(=O)N(c2ccccn2)c2ccc([O-])cc2Cl)cc1 ZINC001216427737 1029635935 /nfs/dbraw/zinc/63/59/35/1029635935.db2.gz LXPCGNNUDOLUKD-UHFFFAOYSA-N -1 3 375.837 3.550 20 0 GHADHM COc1cc(Br)cnc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702637 1029735349 /nfs/dbraw/zinc/73/53/49/1029735349.db2.gz YQGFIWBOJPYZJC-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM O=C([O-])[C@H](CCNCc1cc(Br)cnc1Cl)Cc1ccccc1 ZINC000843303830 1029900739 /nfs/dbraw/zinc/90/07/39/1029900739.db2.gz IREYWIJASHLHHW-CYBMUJFWSA-N -1 3 397.700 3.921 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cncc(Br)c3C)no2)cc1OC ZINC001216744728 1029914903 /nfs/dbraw/zinc/91/49/03/1029914903.db2.gz BDBFKKZRIBXMMC-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001216958578 1030031756 /nfs/dbraw/zinc/03/17/56/1030031756.db2.gz HKWWNSJZVZHZDA-UHFFFAOYSA-N -1 3 383.791 3.682 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1-c1noc(-c2cccc(OCCO)c2[O-])n1 ZINC001216959866 1030032725 /nfs/dbraw/zinc/03/27/25/1030032725.db2.gz YHDFZZXRQKJZEB-UHFFFAOYSA-N -1 3 380.322 3.808 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cc(F)c(Cl)c(F)c3)no2)c1C ZINC001216961185 1030034583 /nfs/dbraw/zinc/03/45/83/1030034583.db2.gz DAMKCSDRJLNNIA-UHFFFAOYSA-N -1 3 391.761 3.920 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccccc3OC(C)C)no2)c1C ZINC001216961091 1030034719 /nfs/dbraw/zinc/03/47/19/1030034719.db2.gz ADBMDVXINCZNSU-UHFFFAOYSA-N -1 3 379.416 3.776 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c1C ZINC001216962085 1030034745 /nfs/dbraw/zinc/03/47/45/1030034745.db2.gz MQLXWMCTBQSQEU-UHFFFAOYSA-N -1 3 390.443 3.589 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2nccnc2OCc2ccccc2)c1[O-] ZINC001149190494 1030084272 /nfs/dbraw/zinc/08/42/72/1030084272.db2.gz MYWNSXMSTHMWKY-UHFFFAOYSA-N -1 3 386.411 3.870 20 0 GHADHM Cc1cc(NC(=O)c2c([O-])c(C)nc3ccccc32)ccc1N1CCOCC1 ZINC001149197823 1030086323 /nfs/dbraw/zinc/08/63/23/1030086323.db2.gz OIMJHLWMSSUHKE-UHFFFAOYSA-N -1 3 377.444 3.646 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)c1[O-] ZINC001149196634 1030087173 /nfs/dbraw/zinc/08/71/73/1030087173.db2.gz LNNMLYQUSFBXIC-UHFFFAOYSA-N -1 3 386.455 3.693 20 0 GHADHM Cc1cc(F)c(F)c(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1 ZINC001217018005 1030093288 /nfs/dbraw/zinc/09/32/88/1030093288.db2.gz IXQPFZUVAKRVGF-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2cc(Br)ccc2N(C)C)no1 ZINC001217085189 1030150453 /nfs/dbraw/zinc/15/04/53/1030150453.db2.gz ISNPASNPZXNHDE-UHFFFAOYSA-N -1 3 390.237 3.946 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136534 1030189194 /nfs/dbraw/zinc/18/91/94/1030189194.db2.gz DFNJBSITAKVMGD-UHFFFAOYSA-N -1 3 384.399 3.668 20 0 GHADHM O=C([N-]CC1CN(C(=O)N[C@H](c2ccccc2)C2CCCCC2)C1)C(F)(F)F ZINC001222605950 1030229968 /nfs/dbraw/zinc/22/99/68/1030229968.db2.gz BTOHJCBKWGBNEY-QGZVFWFLSA-N -1 3 397.441 3.628 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cc(Cl)nc3ccccc32)n[n-]1)c1ccccc1 ZINC001149658447 1030259466 /nfs/dbraw/zinc/25/94/66/1030259466.db2.gz SMYWBHLXUVYKIU-UHFFFAOYSA-N -1 3 391.818 3.684 20 0 GHADHM Cc1cccc(CN2CC[C@@H](NC(=O)c3cccc(C(F)(F)F)c3[O-])C2)c1 ZINC001149847098 1030323259 /nfs/dbraw/zinc/32/32/59/1030323259.db2.gz MIARUSOGXAVFDE-OAHLLOKOSA-N -1 3 378.394 3.724 20 0 GHADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001217417102 1030378093 /nfs/dbraw/zinc/37/80/93/1030378093.db2.gz GSULRRITCJXHJY-UHFFFAOYSA-N -1 3 389.411 3.805 20 0 GHADHM COc1ccc(Br)c(-c2noc(-c3ccc4[nH][n-]c(=O)c4c3)n2)c1 ZINC001217474225 1030423808 /nfs/dbraw/zinc/42/38/08/1030423808.db2.gz QPYBAKZPXZCRGW-UHFFFAOYSA-N -1 3 387.193 3.757 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001150178855 1030438208 /nfs/dbraw/zinc/43/82/08/1030438208.db2.gz OVNQAGMJUNLWPR-UHFFFAOYSA-N -1 3 399.414 3.763 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001150178855 1030438225 /nfs/dbraw/zinc/43/82/25/1030438225.db2.gz OVNQAGMJUNLWPR-UHFFFAOYSA-N -1 3 399.414 3.763 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(F)c(F)cc4Cl)no3)c21 ZINC001217511993 1030454114 /nfs/dbraw/zinc/45/41/14/1030454114.db2.gz IUCVRQYQNWLOPT-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc5onc(C)c5c4)no3)c21 ZINC001217511658 1030454550 /nfs/dbraw/zinc/45/45/50/1030454550.db2.gz CBEPYGHPEFKSCX-UHFFFAOYSA-N -1 3 375.344 3.516 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(F)c(F)c(F)c4F)no3)c21 ZINC001217513396 1030456304 /nfs/dbraw/zinc/45/63/04/1030456304.db2.gz YBNXSIMEOBPMGY-UHFFFAOYSA-N -1 3 392.268 3.623 20 0 GHADHM COc1ccc2cc([O-])c(-c3nc(-c4cccc(S(C)(=O)=O)c4)no3)cc2c1 ZINC001217523666 1030465183 /nfs/dbraw/zinc/46/51/83/1030465183.db2.gz LBRAQGHBCFAWJM-UHFFFAOYSA-N -1 3 396.424 3.675 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001150395693 1030514308 /nfs/dbraw/zinc/51/43/08/1030514308.db2.gz RGUHZKPGMUPDDO-QAPCUYQASA-N -1 3 390.277 3.561 20 0 GHADHM CN(CCc1cccs1)C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150468157 1030535741 /nfs/dbraw/zinc/53/57/41/1030535741.db2.gz QKLLHMLMXOGJKO-UHFFFAOYSA-N -1 3 380.391 3.923 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H]3CCCn4cc(C)nc43)nc21 ZINC001223404871 1030559228 /nfs/dbraw/zinc/55/92/28/1030559228.db2.gz XJJCBJRDJSNZOD-UGSOOPFHSA-N -1 3 392.818 3.725 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H]3CCCn4cc(C)nc43)[n-]c21 ZINC001223404871 1030559232 /nfs/dbraw/zinc/55/92/32/1030559232.db2.gz XJJCBJRDJSNZOD-UGSOOPFHSA-N -1 3 392.818 3.725 20 0 GHADHM O=C(Nc1n[nH]c2cnc(Br)cc21)c1cc2ccccc2cc1[O-] ZINC001151036848 1030751850 /nfs/dbraw/zinc/75/18/50/1030751850.db2.gz BNMZZADYVXEOMT-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(Nc1cn2c(cccc2Cl)n1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821494 1031017555 /nfs/dbraw/zinc/01/75/55/1031017555.db2.gz QACXNMNEZBPMLS-UHFFFAOYSA-N -1 3 390.628 3.879 20 0 GHADHM O=C(Nc1cn2c(cccc2Cl)n1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821494 1031017575 /nfs/dbraw/zinc/01/75/75/1031017575.db2.gz QACXNMNEZBPMLS-UHFFFAOYSA-N -1 3 390.628 3.879 20 0 GHADHM Cc1c(Cl)cc(NC(=O)[C@]2(N)CCc3cc(F)ccc3C2)c([O-])c1Cl ZINC001219013676 1031212650 /nfs/dbraw/zinc/21/26/50/1031212650.db2.gz WAOFMYMYHAXXSD-SFHVURJKSA-N -1 3 383.250 3.971 20 0 GHADHM N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001219107731 1031256850 /nfs/dbraw/zinc/25/68/50/1031256850.db2.gz RGXWHKPBUDSMLU-ZDUSSCGKSA-N -1 3 381.245 3.583 20 0 GHADHM CCN(CC)c1ccc2cc(C(=O)Nc3ccc4oc([O-])nc4c3)c(=O)oc2c1 ZINC001152554316 1031278826 /nfs/dbraw/zinc/27/88/26/1031278826.db2.gz TUZWOTSKBUZBML-UHFFFAOYSA-N -1 3 393.399 3.738 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc2cc(Br)c(Cl)cc2[nH]1 ZINC001152735648 1031341552 /nfs/dbraw/zinc/34/15/52/1031341552.db2.gz WRCRZHUZXXOUMB-UHFFFAOYSA-N -1 3 380.629 3.614 20 0 GHADHM Cc1nc(CN2C[C@]3(CC2=O)CCCCN3Cc2ccc([S-])cc2)cs1 ZINC001277044503 1031416680 /nfs/dbraw/zinc/41/66/80/1031416680.db2.gz WLAIOUNIRBHZBW-HXUWFJFHSA-N -1 3 387.574 3.897 20 0 GHADHM COCc1cc(OC2CN(C(c3ccccc3)c3ccccc3)C2)[n-]c(=S)n1 ZINC001225936272 1031703559 /nfs/dbraw/zinc/70/35/59/1031703559.db2.gz YDULPFSKSAGKKR-UHFFFAOYSA-N -1 3 393.512 3.764 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1 ZINC001153812958 1031755197 /nfs/dbraw/zinc/75/51/97/1031755197.db2.gz SIHZIFPEHRDQSR-FXAWDEMLSA-N -1 3 381.472 3.736 20 0 GHADHM CCc1nccc(C)c1NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153874136 1031786391 /nfs/dbraw/zinc/78/63/91/1031786391.db2.gz UGPVWTFKVHMHHL-UHFFFAOYSA-N -1 3 386.249 3.809 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]c(=S)ncc2C2CC2)[C@@H](F)C1 ZINC001226116315 1031794495 /nfs/dbraw/zinc/79/44/95/1031794495.db2.gz AOGHMJOAPQFYSM-KBPBESRZSA-N -1 3 383.489 3.759 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117308 1031795595 /nfs/dbraw/zinc/79/55/95/1031795595.db2.gz KPAXLEXXGCVSPZ-LIRRHRJNSA-N -1 3 377.510 3.811 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117305 1031795692 /nfs/dbraw/zinc/79/56/92/1031795692.db2.gz KPAXLEXXGCVSPZ-IFXJQAMLSA-N -1 3 377.510 3.811 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001153904953 1031803136 /nfs/dbraw/zinc/80/31/36/1031803136.db2.gz ZJYHLKNPVQFOFD-HNNXBMFYSA-N -1 3 396.756 3.678 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc3nnc(C4CC4)n3c2)c([O-])c1 ZINC001153997372 1031863695 /nfs/dbraw/zinc/86/36/95/1031863695.db2.gz VMMRJFAOUGPKMJ-UHFFFAOYSA-N -1 3 394.431 3.520 20 0 GHADHM Cc1nc2ccc(F)cn2c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001154019750 1031879096 /nfs/dbraw/zinc/87/90/96/1031879096.db2.gz JXBRGUYKVSBUKS-UHFFFAOYSA-N -1 3 385.395 3.695 20 0 GHADHM CN1Cc2cc(NC(=O)c3c([O-])cc4ccccc4c3O)ccc2N(C)C1=O ZINC001154027943 1031884139 /nfs/dbraw/zinc/88/41/39/1031884139.db2.gz JSMZWNUZPXORCO-UHFFFAOYSA-N -1 3 377.400 3.505 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001154103835 1031928029 /nfs/dbraw/zinc/92/80/29/1031928029.db2.gz GYVALNRMGKJLAZ-OLZOCXBDSA-N -1 3 397.187 3.878 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824546 1069773052 /nfs/dbraw/zinc/77/30/52/1069773052.db2.gz CTXZMBQBJVKPEK-VXGBXAGGSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824546 1069773065 /nfs/dbraw/zinc/77/30/65/1069773065.db2.gz CTXZMBQBJVKPEK-VXGBXAGGSA-N -1 3 381.885 3.661 20 0 GHADHM COC(=O)c1cccc2c(C(=O)N(c3ccccc3)c3ccccc3N)[n-]nc21 ZINC001154147408 1031950532 /nfs/dbraw/zinc/95/05/32/1031950532.db2.gz XZTDDWFIJFTXGP-UHFFFAOYSA-N -1 3 386.411 3.910 20 0 GHADHM COC(=O)c1cccc2c(C(=O)N(c3ccccc3)c3ccccc3N)n[n-]c21 ZINC001154147408 1031950539 /nfs/dbraw/zinc/95/05/39/1031950539.db2.gz XZTDDWFIJFTXGP-UHFFFAOYSA-N -1 3 386.411 3.910 20 0 GHADHM CC[C@H](CC(C)C)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461827724 1069775636 /nfs/dbraw/zinc/77/56/36/1069775636.db2.gz GKERLVIISXVGFI-GFCCVEGCSA-N -1 3 383.901 3.907 20 0 GHADHM CC[C@H](CC(C)C)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461827724 1069775646 /nfs/dbraw/zinc/77/56/46/1069775646.db2.gz GKERLVIISXVGFI-GFCCVEGCSA-N -1 3 383.901 3.907 20 0 GHADHM CCOC(=O)C=Cc1ccc(Cl)cc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154209622 1031986405 /nfs/dbraw/zinc/98/64/05/1031986405.db2.gz KQOCSJDESJNEBO-VMPITWQZSA-N -1 3 385.807 3.751 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCCN(Cc4ccccc4F)C3)cc12 ZINC001226532450 1031998874 /nfs/dbraw/zinc/99/88/74/1031998874.db2.gz QUPLWPIZZMNXLH-MRXNPFEDSA-N -1 3 383.419 3.990 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)cc12 ZINC001226535213 1031999986 /nfs/dbraw/zinc/99/99/86/1031999986.db2.gz QESKUGITXJYFKO-UKRRQHHQSA-N -1 3 393.411 3.533 20 0 GHADHM C[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1ccc(Br)nc1 ZINC001226557128 1032012765 /nfs/dbraw/zinc/01/27/65/1032012765.db2.gz XQNNNXFTXIPJNW-ZETCQYMHSA-N -1 3 381.617 3.681 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C(C)(C)C1 ZINC001226596633 1032032167 /nfs/dbraw/zinc/03/21/67/1032032167.db2.gz NEPKVLNFDBVSIA-HNNXBMFYSA-N -1 3 389.448 3.913 20 0 GHADHM COc1ccc(-c2ccccc2NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)cc1 ZINC001154317234 1032038515 /nfs/dbraw/zinc/03/85/15/1032038515.db2.gz VWNMNFWMNURILM-UHFFFAOYSA-N -1 3 387.395 3.969 20 0 GHADHM COc1ccc(-c2ccccc2NC(=O)c2ccc3c(c2)c(=O)[n-][nH]c3=O)cc1 ZINC001154317234 1032038531 /nfs/dbraw/zinc/03/85/31/1032038531.db2.gz VWNMNFWMNURILM-UHFFFAOYSA-N -1 3 387.395 3.969 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc([O-])c2Br)[C@H](F)C1 ZINC001229139129 1033302405 /nfs/dbraw/zinc/30/24/05/1033302405.db2.gz FKVRJKJYQJTJLJ-PWSUYJOCSA-N -1 3 390.249 3.881 20 0 GHADHM S=c1nc(OC2CCC3(CC2)OCCO3)c2c3c(sc2[n-]1)CCCC3 ZINC001229284505 1033390799 /nfs/dbraw/zinc/39/07/99/1033390799.db2.gz AISNKDMILSSVIT-UHFFFAOYSA-N -1 3 378.519 3.923 20 0 GHADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@H]3CC[C@@H](N4CCOCC4)CC3)c2)cc1 ZINC001229536270 1033546157 /nfs/dbraw/zinc/54/61/57/1033546157.db2.gz AVHNJPMTQRTWDF-OYRHEFFESA-N -1 3 395.499 3.954 20 0 GHADHM CC[NH+](CC)C[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229771776 1033701758 /nfs/dbraw/zinc/70/17/58/1033701758.db2.gz QCCRJXLDYMNDEL-AWEZNQCLSA-N -1 3 383.444 3.980 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC001206060163 1033702756 /nfs/dbraw/zinc/70/27/56/1033702756.db2.gz LYUYGAPYOCMREG-LBPRGKRZSA-N -1 3 377.853 3.571 20 0 GHADHM COc1ccc([C@@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)cc1 ZINC001230187565 1033936439 /nfs/dbraw/zinc/93/64/39/1033936439.db2.gz AIJBMYSPYBVOCW-MRXNPFEDSA-N -1 3 391.471 3.889 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC001206675289 1033939730 /nfs/dbraw/zinc/93/97/30/1033939730.db2.gz OHKVTYSZSGJRGV-LJQANCHMSA-N -1 3 376.420 3.591 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC001206675289 1033939732 /nfs/dbraw/zinc/93/97/32/1033939732.db2.gz OHKVTYSZSGJRGV-LJQANCHMSA-N -1 3 376.420 3.591 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c(OC)c1 ZINC001158246603 1033985529 /nfs/dbraw/zinc/98/55/29/1033985529.db2.gz WEPFAVSFWOXCHN-SNVBAGLBSA-N -1 3 397.349 3.948 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001231072694 1034378963 /nfs/dbraw/zinc/37/89/63/1034378963.db2.gz FWFMWRAWRPZCFT-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H]1CCOc2cccc(OC)c21 ZINC001231091712 1034393266 /nfs/dbraw/zinc/39/32/66/1034393266.db2.gz ZNARNQXUBOBYDC-LBPRGKRZSA-N -1 3 379.796 3.529 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(Br)cccc2cn1 ZINC001159063793 1034407940 /nfs/dbraw/zinc/40/79/40/1034407940.db2.gz VZUWHONXEPZKJG-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC001231118478 1034409078 /nfs/dbraw/zinc/40/90/78/1034409078.db2.gz PDCZOHZDDPXQBD-OAHLLOKOSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC001231118478 1034409087 /nfs/dbraw/zinc/40/90/87/1034409087.db2.gz PDCZOHZDDPXQBD-OAHLLOKOSA-N -1 3 392.337 3.726 20 0 GHADHM COC[C@H](C)Oc1c(C)cc(S(=O)(=O)c2cc(C)c([O-])c(C)c2)cc1C ZINC001231195555 1034457319 /nfs/dbraw/zinc/45/73/19/1034457319.db2.gz DMQBUYJXHAWKAY-INIZCTEOSA-N -1 3 378.490 3.872 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CSCc3cccnc3)n[n-]2)cc1 ZINC001159357109 1034560622 /nfs/dbraw/zinc/56/06/22/1034560622.db2.gz NEJGDWJHFWZOJX-UHFFFAOYSA-N -1 3 385.518 3.672 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001159363764 1034564394 /nfs/dbraw/zinc/56/43/94/1034564394.db2.gz RMLHATNRXPRFTI-LBPRGKRZSA-N -1 3 384.509 3.878 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)s1 ZINC001231463488 1034608460 /nfs/dbraw/zinc/60/84/60/1034608460.db2.gz DYWCFWDPCQUJAN-SFHVURJKSA-N -1 3 393.459 3.579 20 0 GHADHM CCOC[C@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2nn(CC)cc21 ZINC001231523229 1034674862 /nfs/dbraw/zinc/67/48/62/1034674862.db2.gz ZGZWYMKIXXSYHO-CQSZACIVSA-N -1 3 383.414 3.763 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC001231676058 1034827169 /nfs/dbraw/zinc/82/71/69/1034827169.db2.gz ZFUCEYYYJPFCEO-UHFFFAOYSA-N -1 3 379.378 3.941 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1cc(F)ccc1Cl ZINC001208434412 1034894690 /nfs/dbraw/zinc/89/46/90/1034894690.db2.gz UPPDLSVZEKORIJ-UHFFFAOYSA-N -1 3 379.840 3.990 20 0 GHADHM C[C@@H]1CN(Cc2ncc(Br)cc2[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001461936602 1069901827 /nfs/dbraw/zinc/90/18/27/1069901827.db2.gz JOZVHUSLLUFAJP-CABCVRRESA-N -1 3 390.325 3.645 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160948479 1035102145 /nfs/dbraw/zinc/10/21/45/1035102145.db2.gz LHJVDHOBHTXSQC-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160948479 1035102146 /nfs/dbraw/zinc/10/21/46/1035102146.db2.gz LHJVDHOBHTXSQC-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2cc([O-])c(Br)cc2Br)[nH]1 ZINC001161266281 1035197546 /nfs/dbraw/zinc/19/75/46/1035197546.db2.gz ADBYSUHMVIIWBL-UHFFFAOYSA-N -1 3 389.047 3.509 20 0 GHADHM COCCCOc1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1OC ZINC001161312280 1035207999 /nfs/dbraw/zinc/20/79/99/1035207999.db2.gz XMMZKPAQRKNEJX-UHFFFAOYSA-N -1 3 396.443 3.513 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc([C@H](C)C(F)(F)F)cc3)c2c1=O ZINC001161520950 1035248738 /nfs/dbraw/zinc/24/87/38/1035248738.db2.gz GSLNPBVGJDAMPW-NSHDSACASA-N -1 3 392.381 3.971 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)c([O-])c1 ZINC001161774950 1035297834 /nfs/dbraw/zinc/29/78/34/1035297834.db2.gz JFMYCNMRPIZPDG-MRXNPFEDSA-N -1 3 377.868 3.558 20 0 GHADHM O=C1SCCN1Cc1ccccc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248142625 1035562122 /nfs/dbraw/zinc/56/21/22/1035562122.db2.gz UFPXQDVIEAITME-UHFFFAOYSA-N -1 3 385.420 3.841 20 0 GHADHM COc1ccc(-c2noc(CNC(=O)c3ccccc3[O-])n2)c2ccccc12 ZINC001248499875 1035917573 /nfs/dbraw/zinc/91/75/73/1035917573.db2.gz RMBZRDQQBVUVQR-UHFFFAOYSA-N -1 3 375.384 3.534 20 0 GHADHM Cc1ncsc1-c1ccc(-c2noc(CNC(=O)c3ccccc3[O-])n2)cc1 ZINC001248499387 1035917781 /nfs/dbraw/zinc/91/77/81/1035917781.db2.gz BZYGXAKNPRZTLT-UHFFFAOYSA-N -1 3 392.440 3.804 20 0 GHADHM [O-]c1cc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)ccc1F ZINC001243046108 1036017763 /nfs/dbraw/zinc/01/77/63/1036017763.db2.gz AAXRUTLAMKKEHT-UHFFFAOYSA-N -1 3 399.491 3.914 20 0 GHADHM COc1c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc(Cl)c1Cl ZINC001248645766 1036022629 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Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001245164062 1036793141 /nfs/dbraw/zinc/79/31/41/1036793141.db2.gz IJFMNQXEJLHCKU-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC001462139161 1070027711 /nfs/dbraw/zinc/02/77/11/1070027711.db2.gz SGCDSLIXYJFQOP-QGZVFWFLSA-N -1 3 397.700 3.695 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245654704 1036966254 /nfs/dbraw/zinc/96/62/54/1036966254.db2.gz GZOOIMGOBUMDKJ-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C)CCC(C)(C)CC2)ccc1F ZINC001462179333 1070056949 /nfs/dbraw/zinc/05/69/49/1070056949.db2.gz QKFUJNDVGCJGRH-UHFFFAOYSA-N -1 3 398.544 3.991 20 0 GHADHM CCCC[C@@H](CC)CN1CCO[C@H]2CN(Cc3sccc3C(=O)[O-])C[C@@H]21 ZINC001278455427 1037484249 /nfs/dbraw/zinc/48/42/49/1037484249.db2.gz IMUYWOIZRMBCBX-NJAFHUGGSA-N -1 3 380.554 3.548 20 0 GHADHM COc1ccc(N2C[C@@]3(CCN(Cc4cccc([O-])c4Cl)C3)CC2=O)cc1 ZINC001232786258 1038552143 /nfs/dbraw/zinc/55/21/43/1038552143.db2.gz URVNALNIBPPQHA-NRFANRHFSA-N -1 3 386.879 3.683 20 0 GHADHM COc1ccc(N2C[C@]3(CCN(Cc4cccc([O-])c4Cl)C3)CC2=O)cc1 ZINC001232786260 1038552205 /nfs/dbraw/zinc/55/22/05/1038552205.db2.gz URVNALNIBPPQHA-OAQYLSRUSA-N -1 3 386.879 3.683 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)c1Cl ZINC001232786956 1038553702 /nfs/dbraw/zinc/55/37/02/1038553702.db2.gz FTCDATMPWPMKHU-GHTZIAJQSA-N -1 3 395.927 3.612 20 0 GHADHM [O-]c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1I ZINC001232868765 1038631344 /nfs/dbraw/zinc/63/13/44/1038631344.db2.gz VACBVTYEBPOJMS-MRXNPFEDSA-N -1 3 395.240 3.570 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3ccc(F)c([O-])c3F)C1)C2 ZINC001232937722 1038717435 /nfs/dbraw/zinc/71/74/35/1038717435.db2.gz SEJUCUPWTGJKCQ-OPAMFIHVSA-N -1 3 387.426 3.766 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3cc([O-])c(F)c(F)c3)C2)C1 ZINC001232969998 1038742393 /nfs/dbraw/zinc/74/23/93/1038742393.db2.gz FORXSZUZMDTOKM-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1F ZINC001233051801 1038809010 /nfs/dbraw/zinc/80/90/10/1038809010.db2.gz AQFSPWRREJYOKI-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM [O-]c1c(Cl)cc(Br)cc1NC[C@H](O)COCc1ccccc1 ZINC001252298641 1038932416 /nfs/dbraw/zinc/93/24/16/1038932416.db2.gz PWDNIWIDOBANSX-ZDUSSCGKSA-N -1 3 386.673 3.798 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(C1)COCCN(Cc1ccc([S-])cc1)C2 ZINC001233259537 1039027801 /nfs/dbraw/zinc/02/78/01/1039027801.db2.gz WUSBZDMNNPISSX-OAQYLSRUSA-N -1 3 392.565 3.825 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001252769159 1039161939 /nfs/dbraw/zinc/16/19/39/1039161939.db2.gz KGIHRAZOZWXOSR-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396533 1039229596 /nfs/dbraw/zinc/22/95/96/1039229596.db2.gz IDKBPDBCVGPQHI-IEBWSBKVSA-N -1 3 375.415 3.982 20 0 GHADHM COc1ccc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233401462 1039242676 /nfs/dbraw/zinc/24/26/76/1039242676.db2.gz AMKJMOHLJNCDTB-CQSZACIVSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(Cl)c1[O-] ZINC001233401218 1039243971 /nfs/dbraw/zinc/24/39/71/1039243971.db2.gz QZWGKZMZIYNUQM-ZDUSSCGKSA-N -1 3 384.904 3.886 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1ccccc1 ZINC001253064542 1039392842 /nfs/dbraw/zinc/39/28/42/1039392842.db2.gz BVNWFQTTYLIRHH-MFYNKTKUSA-N -1 3 387.501 3.735 20 0 GHADHM O=c1ccc2c([C@@H](O)CN[C@@H]3[CH]CC=C3)ccc(OCc3ccccc3)c2[nH]1 ZINC001253229779 1039485324 /nfs/dbraw/zinc/48/53/24/1039485324.db2.gz QILNDMABUOCLRR-PXNSSMCTSA-N -1 3 375.448 3.675 20 0 GHADHM CCOC(=O)C1CC(Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])C1 ZINC001234380138 1039991784 /nfs/dbraw/zinc/99/17/84/1039991784.db2.gz RTBYXPZEZCGQGS-UHFFFAOYSA-N -1 3 380.396 3.886 20 0 GHADHM CO[C@@H](C)CO[C@H](C)COc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380513 1039991852 /nfs/dbraw/zinc/99/18/52/1039991852.db2.gz DYRPBSMPUIFSCF-LSDHHAIUSA-N 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COc1ccccc1[C@@H]1CN(Cc2cccc([O-])c2Br)CCO1 ZINC001462510108 1070312031 /nfs/dbraw/zinc/31/20/31/1070312031.db2.gz DFQOBBLUSQDBHK-KRWDZBQOSA-N -1 3 378.266 3.737 20 0 GHADHM Cc1ccc2[n-]cc(-c3nnc([C@H]4CCN(Cc5ccccc5)C4)o3)c(=O)c2c1 ZINC001255395292 1040982931 /nfs/dbraw/zinc/98/29/31/1040982931.db2.gz CQVMDVPUUVJNBE-KRWDZBQOSA-N -1 3 386.455 3.876 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001255446603 1041049383 /nfs/dbraw/zinc/04/93/83/1041049383.db2.gz ADCBHMNYNWSGJL-RDBSUJKOSA-N -1 3 383.414 3.557 20 0 GHADHM [O-]c1cc(F)c(CN2CCN[C@H](c3cccc(Br)c3)C2)cc1F ZINC001235797691 1041299926 /nfs/dbraw/zinc/29/99/26/1041299926.db2.gz IDGFLKNDTMKOJU-INIZCTEOSA-N -1 3 383.236 3.579 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nnc(-c2cc(F)cc(Br)c2)o1 ZINC001255901332 1041383470 /nfs/dbraw/zinc/38/34/70/1041383470.db2.gz PMGMIQFBUVXSDY-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1F)c1ccc(F)cc1F ZINC001256119613 1041552406 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O=c1[n-]c(Cl)c(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)s1 ZINC001237151718 1042066125 /nfs/dbraw/zinc/06/61/25/1042066125.db2.gz YNJQJTMWQPUHLF-CQSZACIVSA-N -1 3 386.945 3.547 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCOc3ccc(Br)cc3C2)s1 ZINC001237153832 1042066583 /nfs/dbraw/zinc/06/65/83/1042066583.db2.gz HUNSWQVZIOPUJX-UHFFFAOYSA-N -1 3 375.675 3.659 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3ncc(Cl)cc3Cl)CC2)s1 ZINC001237163730 1042073242 /nfs/dbraw/zinc/07/32/42/1042073242.db2.gz DUBZDSZNPFWFBW-UHFFFAOYSA-N -1 3 379.700 3.526 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC2(CN(Cc3sc(=O)[n-]c3Cl)C2)CC1 ZINC001237163728 1042073465 /nfs/dbraw/zinc/07/34/65/1042073465.db2.gz DRVQNEAIHJPHIN-UHFFFAOYSA-N -1 3 387.933 3.725 20 0 GHADHM CCOC(=O)[C@H]1c2ccc(Br)cc2CCN1Cc1occc1[S-] ZINC001237186608 1042084006 /nfs/dbraw/zinc/08/40/06/1042084006.db2.gz MCCIUGDOJXOCHL-MRXNPFEDSA-N -1 3 396.306 3.993 20 0 GHADHM CC1(C)N(Cc2cc(Cl)nc(Cl)c2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001237523094 1042249280 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O=C([O-])c1cc(F)ccc1CN1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001238235395 1042528266 /nfs/dbraw/zinc/52/82/66/1042528266.db2.gz MCUDFCDSVHNVJX-UHFFFAOYSA-N -1 3 384.407 3.515 20 0 GHADHM O=S(=O)([N-]Cc1ccc2[nH]ccc2c1)c1ncccc1OCc1ccccc1 ZINC001238524505 1042628764 /nfs/dbraw/zinc/62/87/64/1042628764.db2.gz YSZKCYDXWOTRCA-UHFFFAOYSA-N -1 3 393.468 3.620 20 0 GHADHM O=S(=O)([N-]Cc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl ZINC001257276550 1043953213 /nfs/dbraw/zinc/95/32/13/1043953213.db2.gz OOOXLRHESJXAOK-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM CCCC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC001292937855 1043953311 /nfs/dbraw/zinc/95/33/11/1043953311.db2.gz ZKGQQYCEUPPAFM-FQEVSTJZSA-N -1 3 398.503 3.877 20 0 GHADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1Cl)c1cccc(Cl)c1Cl ZINC001257289198 1043958018 /nfs/dbraw/zinc/95/80/18/1043958018.db2.gz VFJQCGQVRWOEDV-LLVKDONJSA-N -1 3 394.707 3.529 20 0 GHADHM COc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC001257288306 1043958168 /nfs/dbraw/zinc/95/81/68/1043958168.db2.gz AUHGSXGFQJNOKH-ZDUSSCGKSA-N -1 3 386.300 3.838 20 0 GHADHM CCOc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257288867 1043958408 /nfs/dbraw/zinc/95/84/08/1043958408.db2.gz QBECEXDOYKAPEM-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC001257293807 1043958967 /nfs/dbraw/zinc/95/89/67/1043958967.db2.gz SMFIDPBJACJPNU-NSHDSACASA-N -1 3 382.309 3.782 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1Br)c1cccc(Cl)c1Cl ZINC001257293749 1043959293 /nfs/dbraw/zinc/95/92/93/1043959293.db2.gz RFQNAPKEOBAHNK-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc2ccccc2o1)c1cccc(Cl)c1Cl ZINC001257306394 1043961471 /nfs/dbraw/zinc/96/14/71/1043961471.db2.gz MKUWQWVZGDUPAM-LBPRGKRZSA-N -1 3 386.256 3.752 20 0 GHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ncsc1Nc1cccnc1 ZINC001293051546 1044001933 /nfs/dbraw/zinc/00/19/33/1044001933.db2.gz KNRPRLPYMXKYQA-UHFFFAOYSA-N -1 3 394.485 3.976 20 0 GHADHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257508845 1044026672 /nfs/dbraw/zinc/02/66/72/1044026672.db2.gz WBGSMSVATVARRC-UHFFFAOYSA-N -1 3 382.290 3.551 20 0 GHADHM CC(C)(F)c1ncncc1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257521293 1044031469 /nfs/dbraw/zinc/03/14/69/1044031469.db2.gz RWFIRDYJEIOTQV-UHFFFAOYSA-N -1 3 384.285 3.528 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(CC2CCCC2)C1)c1cc(Cl)c(Cl)s1 ZINC001257528055 1044032758 /nfs/dbraw/zinc/03/27/58/1044032758.db2.gz JNFHGMFYTADFHV-NSHDSACASA-N -1 3 383.366 3.598 20 0 GHADHM COc1ccc(C(=O)NCCCc2ccc(Br)cc2F)c([O-])c1 ZINC001293342455 1044125533 /nfs/dbraw/zinc/12/55/33/1044125533.db2.gz SSOXHBMGBBCPSK-UHFFFAOYSA-N -1 3 382.229 3.665 20 0 GHADHM O=S(=O)([N-][C@@H](CO)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl ZINC001257780453 1044167663 /nfs/dbraw/zinc/16/76/63/1044167663.db2.gz RFCUXDLGFLSZGA-GFCCVEGCSA-N -1 3 394.707 3.529 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001293450884 1044186841 /nfs/dbraw/zinc/18/68/41/1044186841.db2.gz LIOMSKGMSFGCJA-INIZCTEOSA-N -1 3 377.282 3.941 20 0 GHADHM CCC[C@@H]1SCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001293577375 1044247870 /nfs/dbraw/zinc/24/78/70/1044247870.db2.gz KYWWLEXSEPLDLF-FPOVZHCZSA-N -1 3 398.528 3.955 20 0 GHADHM CC(C)(C)Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2O)o1 ZINC001257903836 1044253766 /nfs/dbraw/zinc/25/37/66/1044253766.db2.gz VGCCVFPSZUMWMK-UHFFFAOYSA-N -1 3 387.461 3.832 20 0 GHADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294426981 1044620998 /nfs/dbraw/zinc/62/09/98/1044620998.db2.gz IGQFUXSSVCZMCC-VHSXEESVSA-N -1 3 388.336 3.905 20 0 GHADHM [O-]c1cc(I)cc(-c2nnc(Cc3cccc(F)c3)o2)c1 ZINC001258590232 1044661586 /nfs/dbraw/zinc/66/15/86/1044661586.db2.gz ZKFIZMMHZGPVJH-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC001258926991 1044881899 /nfs/dbraw/zinc/88/18/99/1044881899.db2.gz STUXRYZBFIHWEM-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(Cl)c1)c1ccc(Br)s1 ZINC001259052453 1044937985 /nfs/dbraw/zinc/93/79/85/1044937985.db2.gz HGIXVRJNGUMROP-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c(F)c1 ZINC001259231414 1045026256 /nfs/dbraw/zinc/02/62/56/1045026256.db2.gz QMLKYHMVJHDGBQ-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM CCOC(=O)/C=C(\[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)C(F)(F)F ZINC001259232261 1045028577 /nfs/dbraw/zinc/02/85/77/1045028577.db2.gz OWVRSTYRSRNTGI-VBKFSLOCSA-N -1 3 399.390 3.641 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)(C)C)c1 ZINC001462883874 1070624129 /nfs/dbraw/zinc/62/41/29/1070624129.db2.gz AKHQKYWWMCACIW-GOSISDBHSA-N -1 3 393.480 3.986 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1Cl ZINC001259370408 1045106191 /nfs/dbraw/zinc/10/61/91/1045106191.db2.gz NZSLYJOZQJVMQQ-UHFFFAOYSA-N -1 3 377.853 3.725 20 0 GHADHM O=S(=O)([N-]c1ccc2c(ccnc2Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001259370873 1045107939 /nfs/dbraw/zinc/10/79/39/1045107939.db2.gz UJEVGFLLTYVPHS-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(Cl)s1 ZINC001259453342 1045169580 /nfs/dbraw/zinc/16/95/80/1045169580.db2.gz VVBPSEKDLGOYNH-UHFFFAOYSA-N -1 3 384.237 3.781 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F ZINC001259506026 1045209020 /nfs/dbraw/zinc/20/90/20/1045209020.db2.gz VEAOLIDKLIYPNP-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])nc1 ZINC001296282215 1045294609 /nfs/dbraw/zinc/29/46/09/1045294609.db2.gz HUXAQZWJYWEUDK-UHFFFAOYSA-N -1 3 375.428 3.783 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CCCCC1)c1cccc2ccccc21 ZINC001259817257 1045313784 /nfs/dbraw/zinc/31/37/84/1045313784.db2.gz DVHAPJDZBHWMQI-IBGZPJMESA-N -1 3 375.490 3.696 20 0 GHADHM CCCCOc1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Cl ZINC001296457390 1045318599 /nfs/dbraw/zinc/31/85/99/1045318599.db2.gz LUNQPVHIOZYYCK-UHFFFAOYSA-N -1 3 375.856 3.822 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cnccc2Br)c2ccncc12 ZINC001260087494 1045378049 /nfs/dbraw/zinc/37/80/49/1045378049.db2.gz PFFKKSZYYUIPTM-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c1F ZINC001260094752 1045381940 /nfs/dbraw/zinc/38/19/40/1045381940.db2.gz HJRHCGVDSYAQCT-UHFFFAOYSA-N -1 3 388.420 3.578 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1)c1ccccc1 ZINC000556503299 1045430940 /nfs/dbraw/zinc/43/09/40/1045430940.db2.gz SXYICPAXUNQEFV-FQEVSTJZSA-N -1 3 395.436 3.779 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3c(Cl)ccc4cccnc43)ccc2o1 ZINC001260452546 1045498399 /nfs/dbraw/zinc/49/83/99/1045498399.db2.gz GRKYZVQPBMHMKN-UHFFFAOYSA-N -1 3 386.816 3.795 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1F ZINC001260500025 1045518230 /nfs/dbraw/zinc/51/82/30/1045518230.db2.gz LXHWXIRCGVKKFD-UHFFFAOYSA-N -1 3 383.294 3.673 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC001260569823 1045555129 /nfs/dbraw/zinc/55/51/29/1045555129.db2.gz OEBZHMOZSKDQHX-UHFFFAOYSA-N -1 3 375.490 3.998 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@@H]2CCCO2)cc1C ZINC001260638887 1045585448 /nfs/dbraw/zinc/58/54/48/1045585448.db2.gz HXNXXTGKMLRTOV-AWEZNQCLSA-N -1 3 395.452 3.501 20 0 GHADHM C[C@@H](NC(=O)CCCCCc1cccs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297608790 1045587310 /nfs/dbraw/zinc/58/73/10/1045587310.db2.gz CKJDUYYGSJKDPD-LSDHHAIUSA-N -1 3 389.521 3.731 20 0 GHADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC001260918461 1045772668 /nfs/dbraw/zinc/77/26/68/1045772668.db2.gz VZSPBVYGHAVJJA-UHFFFAOYSA-N -1 3 397.452 3.995 20 0 GHADHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462972954 1070701309 /nfs/dbraw/zinc/70/13/09/1070701309.db2.gz BREFAUBPVFRLRB-VHSXEESVSA-N -1 3 381.723 3.602 20 0 GHADHM COc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261014547 1045837785 /nfs/dbraw/zinc/83/77/85/1045837785.db2.gz OWEUVFSIFQRBLL-LLVKDONJSA-N -1 3 391.386 3.935 20 0 GHADHM COc1cccc([C@H](OC)C(=O)Nc2c(C)c(Br)ccc2[O-])c1 ZINC001298513977 1045845931 /nfs/dbraw/zinc/84/59/31/1045845931.db2.gz PWFHHYRHHQRXAN-INIZCTEOSA-N -1 3 380.238 3.798 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC001298514595 1045846409 /nfs/dbraw/zinc/84/64/09/1045846409.db2.gz VREJDGKAAYGVDH-UHFFFAOYSA-N -1 3 387.237 3.511 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001261062483 1045883707 /nfs/dbraw/zinc/88/37/07/1045883707.db2.gz IMJZFALPMKWOAR-ZJUUUORDSA-N -1 3 379.931 3.681 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1[O-] ZINC001298749011 1045938022 /nfs/dbraw/zinc/93/80/22/1045938022.db2.gz KVMMFSNYGKCUER-JOCHJYFZSA-N -1 3 383.444 3.948 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1[O-] ZINC001298749223 1045938144 /nfs/dbraw/zinc/93/81/44/1045938144.db2.gz TVUUYELXCXDVQC-UHFFFAOYSA-N -1 3 397.358 3.518 20 0 GHADHM COc1ccc(C2(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)CCCC2)cc1 ZINC001299811270 1046048009 /nfs/dbraw/zinc/04/80/09/1046048009.db2.gz HKUVAUDAEDYDHQ-UHFFFAOYSA-N -1 3 385.464 3.824 20 0 GHADHM COc1ccc(C2(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)CCCC2)cc1 ZINC001299811270 1046048023 /nfs/dbraw/zinc/04/80/23/1046048023.db2.gz HKUVAUDAEDYDHQ-UHFFFAOYSA-N -1 3 385.464 3.824 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(F)cc(Br)c2)[n-]n1 ZINC001299811322 1046048494 /nfs/dbraw/zinc/04/84/94/1046048494.db2.gz JOGJFHWUSSQMNZ-UHFFFAOYSA-N -1 3 384.205 3.519 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(F)cc(Br)c2)n[n-]1 ZINC001299811322 1046048510 /nfs/dbraw/zinc/04/85/10/1046048510.db2.gz JOGJFHWUSSQMNZ-UHFFFAOYSA-N -1 3 384.205 3.519 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299812867 1046050380 /nfs/dbraw/zinc/05/03/80/1046050380.db2.gz IZQVDYCOTIDOHJ-ZDUSSCGKSA-N -1 3 381.432 3.924 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299812867 1046050396 /nfs/dbraw/zinc/05/03/96/1046050396.db2.gz IZQVDYCOTIDOHJ-ZDUSSCGKSA-N -1 3 381.432 3.924 20 0 GHADHM CCc1c(C(=O)[N-]c2c(F)ccnc2F)nnn1-c1ccc(OC(C)C)cc1 ZINC001262085941 1046179224 /nfs/dbraw/zinc/17/92/24/1046179224.db2.gz PPKLRIQNMBOXEE-UHFFFAOYSA-N -1 3 387.390 3.542 20 0 GHADHM CCOc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nc1C ZINC001301352840 1046506340 /nfs/dbraw/zinc/50/63/40/1046506340.db2.gz DMMHIEQFQAADLS-UHFFFAOYSA-N -1 3 378.454 3.845 20 0 GHADHM Cc1nc2ccc(Cl)cn2c1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC001301561485 1046598563 /nfs/dbraw/zinc/59/85/63/1046598563.db2.gz LLYKJBIJYINDCE-UHFFFAOYSA-N -1 3 384.798 3.837 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001301562568 1046599409 /nfs/dbraw/zinc/59/94/09/1046599409.db2.gz WOWYYCDOWACVSU-CYBMUJFWSA-N -1 3 389.814 3.513 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC001301579069 1046605678 /nfs/dbraw/zinc/60/56/78/1046605678.db2.gz HVFKVVMTTJACLB-UHFFFAOYSA-N -1 3 393.881 3.637 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)C2 ZINC001301714956 1046673027 /nfs/dbraw/zinc/67/30/27/1046673027.db2.gz BMQIXGQHBPNIGO-MRVPVSSYSA-N -1 3 384.288 3.820 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cscc1Br)c1nc(C)cs1 ZINC001463116236 1070810060 /nfs/dbraw/zinc/81/00/60/1070810060.db2.gz CCAFOVACMMOPJF-GFCCVEGCSA-N -1 3 395.369 3.879 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C[C@@H]1c1ccccc1 ZINC001301894997 1046749173 /nfs/dbraw/zinc/74/91/73/1046749173.db2.gz MUTHPHBFBONKKR-KDOFPFPSSA-N -1 3 398.264 3.762 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C[C@@H]1c1ccccc1 ZINC001301894997 1046749189 /nfs/dbraw/zinc/74/91/89/1046749189.db2.gz MUTHPHBFBONKKR-KDOFPFPSSA-N -1 3 398.264 3.762 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001463123516 1070822279 /nfs/dbraw/zinc/82/22/79/1070822279.db2.gz JVMXNBKCBCAGTC-GTNSWQLSSA-N -1 3 389.851 3.981 20 0 GHADHM CC[C@@]1(C)CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)C1 ZINC001263487679 1046881922 /nfs/dbraw/zinc/88/19/22/1046881922.db2.gz PEZNVQLTLZOYAJ-FQEVSTJZSA-N -1 3 398.536 3.875 20 0 GHADHM O=C(C=C(C1CC1)C1CC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302620200 1047009608 /nfs/dbraw/zinc/00/96/08/1047009608.db2.gz GUDKKZUCKYVOHN-OAHLLOKOSA-N -1 3 392.421 3.932 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1 ZINC000389310585 1047423380 /nfs/dbraw/zinc/42/33/80/1047423380.db2.gz NJKIYLSIHKTQJD-UHFFFAOYSA-N -1 3 390.249 3.941 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2N)cc1 ZINC000390931676 1047520062 /nfs/dbraw/zinc/52/00/62/1047520062.db2.gz HDVVKDYBVYGPDC-UHFFFAOYSA-N -1 3 398.326 3.678 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001303955008 1047543957 /nfs/dbraw/zinc/54/39/57/1047543957.db2.gz YDJAOBPHNRMWHA-QFIPXVFZSA-N -1 3 388.508 3.960 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCCc2nc3ccccc3s2)[n-]n1 ZINC001304101552 1047586984 /nfs/dbraw/zinc/58/69/84/1047586984.db2.gz QFACCEPAATZQIK-UHFFFAOYSA-N -1 3 386.477 3.936 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCCCc2nc3ccccc3s2)n[n-]1 ZINC001304101552 1047586989 /nfs/dbraw/zinc/58/69/89/1047586989.db2.gz QFACCEPAATZQIK-UHFFFAOYSA-N -1 3 386.477 3.936 20 0 GHADHM C[C@@H](NC(=O)c1ccc(N2CCCCCC2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304130757 1047595132 /nfs/dbraw/zinc/59/51/32/1047595132.db2.gz BWJMKOOSYPQRGL-GFCCVEGCSA-N -1 3 381.402 3.695 20 0 GHADHM CCc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC001304131964 1047595249 /nfs/dbraw/zinc/59/52/49/1047595249.db2.gz MGHHIQDVFCZXLZ-ZETCQYMHSA-N -1 3 391.191 3.639 20 0 GHADHM C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001304132884 1047596118 /nfs/dbraw/zinc/59/61/18/1047596118.db2.gz WXQYJSDTAJCMHB-QMMMGPOBSA-N -1 3 399.373 3.501 20 0 GHADHM CCO[C@]12CCC[C@@]1(NC(=O)c1cc(CCc3ccccc3)ccc1[O-])CCO2 ZINC001304685603 1047747637 /nfs/dbraw/zinc/74/76/37/1047747637.db2.gz DELMPLCREHVWKV-RPWUZVMVSA-N -1 3 395.499 3.983 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2CN(Cc3ccc(C(=O)[O-])s3)C[C@H](C1)O2 ZINC001279260341 1047750917 /nfs/dbraw/zinc/75/09/17/1047750917.db2.gz 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CCCCOc1ccc(C(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)c([O-])c1 ZINC001306856499 1048930670 /nfs/dbraw/zinc/93/06/70/1048930670.db2.gz BNSRDIYCPYKYNY-QHCPKHFHSA-N -1 3 399.487 3.822 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(N3CCCCC3)c(F)c1)c2=O ZINC001306888055 1048945121 /nfs/dbraw/zinc/94/51/21/1048945121.db2.gz WKRMEQTWQAENLP-UHFFFAOYSA-N -1 3 395.434 3.918 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC001290101172 1049730424 /nfs/dbraw/zinc/73/04/24/1049730424.db2.gz AXENZKLSKKUGQP-UHFFFAOYSA-N -1 3 389.249 3.551 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC001290621529 1049888477 /nfs/dbraw/zinc/88/84/77/1049888477.db2.gz AGZSYUVUFMLJGD-SREVYHEPSA-N -1 3 390.408 3.790 20 0 GHADHM Cc1cc(=O)[n-]c(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000754800418 1050109037 /nfs/dbraw/zinc/10/90/37/1050109037.db2.gz XDJXYZNIABDEEK-HNNXBMFYSA-N -1 3 395.290 3.791 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(C)(C)C)c2ccccc2)c1 ZINC001309062091 1050313879 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HOGVJFFBQORNGC-KGLIPLIRSA-N -1 3 382.338 3.563 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3Br)no2)o1 ZINC001319493200 1055288198 /nfs/dbraw/zinc/28/81/98/1055288198.db2.gz DJPCRQDZIXECAW-UHFFFAOYSA-N -1 3 391.177 3.736 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[n-]n1 ZINC001319958985 1055563135 /nfs/dbraw/zinc/56/31/35/1055563135.db2.gz ARUPBAMGVPEEFP-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[n-]1 ZINC001319958985 1055563150 /nfs/dbraw/zinc/56/31/50/1055563150.db2.gz ARUPBAMGVPEEFP-UHFFFAOYSA-N -1 3 386.795 3.679 20 0 GHADHM Cc1cccnc1CNCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001320104101 1055656522 /nfs/dbraw/zinc/65/65/22/1055656522.db2.gz TXWIEMCWRGMYBC-UHFFFAOYSA-N -1 3 385.464 3.620 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC001322411455 1056685133 /nfs/dbraw/zinc/68/51/33/1056685133.db2.gz QXFGKFFVPSSNFQ-INIZCTEOSA-N -1 3 390.281 3.549 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nnc(-c3cccnc3)o2)cc1 ZINC001322630376 1056776087 /nfs/dbraw/zinc/77/60/87/1056776087.db2.gz CEZCWHXGXSXJNB-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001324733283 1057214527 /nfs/dbraw/zinc/21/45/27/1057214527.db2.gz KXYLRUCXANYKIO-UHFFFAOYSA-N -1 3 378.750 3.610 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001325952160 1057387240 /nfs/dbraw/zinc/38/72/40/1057387240.db2.gz RRPJTKVLPIZFIX-UHFFFAOYSA-N -1 3 380.466 3.623 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(Br)o1 ZINC001326015966 1057396642 /nfs/dbraw/zinc/39/66/42/1057396642.db2.gz WFDOEKMCYXBCJY-UHFFFAOYSA-N -1 3 388.214 3.714 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3cc(Cl)cc4c3OCC4)nc21 ZINC001440001262 1058382985 /nfs/dbraw/zinc/38/29/85/1058382985.db2.gz ZHOPBXRVJBNWNY-UHFFFAOYSA-N -1 3 399.834 3.509 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1Br ZINC001338179024 1058437670 /nfs/dbraw/zinc/43/76/70/1058437670.db2.gz PQRXADBUIWLSRK-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM O=C(N[C@H]1CCCc2occc21)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001440328436 1058495335 /nfs/dbraw/zinc/49/53/35/1058495335.db2.gz NCGGLYCKZAZRTC-ZDUSSCGKSA-N -1 3 392.333 3.827 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)c(C)c2)c([O-])c1 ZINC001440505232 1058527504 /nfs/dbraw/zinc/52/75/04/1058527504.db2.gz AJBBMWWOJAAWHK-UHFFFAOYSA-N -1 3 391.265 3.530 20 0 GHADHM Cc1ccc(CN2CCCN(C(=O)c3c([O-])cnc4c(F)cccc43)CC2)cc1 ZINC001440863665 1058639822 /nfs/dbraw/zinc/63/98/22/1058639822.db2.gz JKNUQZCYJQPMPT-UHFFFAOYSA-N -1 3 393.462 3.736 20 0 GHADHM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cc([O-])cc(Br)c1 ZINC001441155603 1058715673 /nfs/dbraw/zinc/71/56/73/1058715673.db2.gz SCXVQAVKUSWGDI-LLVKDONJSA-N -1 3 392.249 3.635 20 0 GHADHM O=C(N[C@H]1CCSc2c(F)cccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001441183871 1058720681 /nfs/dbraw/zinc/72/06/81/1058720681.db2.gz BPBDWPDEVPTOIA-HNNXBMFYSA-N -1 3 390.386 3.912 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C\C2CCCCCC2)cc1OC ZINC001441889943 1058881743 /nfs/dbraw/zinc/88/17/43/1058881743.db2.gz KBSPZGPSLBTHMT-RAXLEYEMSA-N -1 3 380.510 3.922 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001339287939 1059072638 /nfs/dbraw/zinc/07/26/38/1059072638.db2.gz ODSFCUKGUGOPTC-UHFFFAOYSA-N -1 3 394.302 3.968 20 0 GHADHM Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001444102721 1059265146 /nfs/dbraw/zinc/26/51/46/1059265146.db2.gz RGEUSWFIVZOHSD-QFIPXVFZSA-N -1 3 382.279 3.594 20 0 GHADHM O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cc2c(cc1[O-])OCO2 ZINC001339590779 1059326710 /nfs/dbraw/zinc/32/67/10/1059326710.db2.gz UJAYQSPCLLGEKP-UHFFFAOYSA-N -1 3 379.397 3.978 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H](O)c1ccccc1F ZINC001445810907 1059628439 /nfs/dbraw/zinc/62/84/39/1059628439.db2.gz PJVAMQWNNWPXKP-HZPDHXFCSA-N -1 3 382.229 3.536 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc21 ZINC001445872275 1059643136 /nfs/dbraw/zinc/64/31/36/1059643136.db2.gz ACLYZFZZYCBORN-UHFFFAOYSA-N -1 3 386.423 3.759 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC001446906074 1059902104 /nfs/dbraw/zinc/90/21/04/1059902104.db2.gz VFDJNQWKFKQABZ-UHFFFAOYSA-N -1 3 399.410 3.707 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2nc(-c3ccccc3)no2)cnc1Cl ZINC001447503449 1059973783 /nfs/dbraw/zinc/97/37/83/1059973783.db2.gz HIEAYZNMHZKWJB-UHFFFAOYSA-N -1 3 378.766 3.502 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001447965444 1060075797 /nfs/dbraw/zinc/07/57/97/1060075797.db2.gz UGCXLUWPVBWCLS-LSDHHAIUSA-N -1 3 382.410 3.948 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC001448179273 1060127370 /nfs/dbraw/zinc/12/73/70/1060127370.db2.gz TUFBGAUPOGQSJM-IBGZPJMESA-N -1 3 377.893 3.899 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c([O-])c1C ZINC001448288722 1060149540 /nfs/dbraw/zinc/14/95/40/1060149540.db2.gz YTRBCAINUQHQBL-UHFFFAOYSA-N -1 3 378.831 3.890 20 0 GHADHM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC001448868437 1060285599 /nfs/dbraw/zinc/28/55/99/1060285599.db2.gz KUABUSYUMDKCKR-UHFFFAOYSA-N -1 3 385.416 3.648 20 0 GHADHM Cc1n[n-]c(S(=O)(=O)[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC001340962908 1060289824 /nfs/dbraw/zinc/28/98/24/1060289824.db2.gz ZCXDMMZBFYSNJD-ZETCQYMHSA-N -1 3 387.248 3.610 20 0 GHADHM Cc1nnc(S(=O)(=O)[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC001340962908 1060289846 /nfs/dbraw/zinc/28/98/46/1060289846.db2.gz ZCXDMMZBFYSNJD-ZETCQYMHSA-N -1 3 387.248 3.610 20 0 GHADHM O=C([N-]OCCC1CC1)c1c(Cl)ccc(I)c1F ZINC001450210194 1060552304 /nfs/dbraw/zinc/55/23/04/1060552304.db2.gz JXLRSOHFKCBFAW-UHFFFAOYSA-N -1 3 383.588 3.545 20 0 GHADHM C=CC(=O)Nc1ccc(C(=O)Nc2c(C)c(Br)ccc2[O-])cc1 ZINC001450225568 1060555411 /nfs/dbraw/zinc/55/54/11/1060555411.db2.gz IXYGZCZAXHKJEY-UHFFFAOYSA-N -1 3 375.222 3.840 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC001450225730 1060555507 /nfs/dbraw/zinc/55/55/07/1060555507.db2.gz IRBCLMGVLXXGLA-SFHVURJKSA-N -1 3 380.831 3.728 20 0 GHADHM COCCOc1cccc(C(=O)Nc2c([O-])ccc(Br)c2C)c1 ZINC001450230054 1060557927 /nfs/dbraw/zinc/55/79/27/1060557927.db2.gz LQNRTBSPACCDNZ-UHFFFAOYSA-N -1 3 380.238 3.741 20 0 GHADHM Cc1ccccc1-c1nnc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC001341475243 1060709517 /nfs/dbraw/zinc/70/95/17/1060709517.db2.gz QLVAYMFBEUQDJU-UHFFFAOYSA-N -1 3 397.378 3.542 20 0 GHADHM O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1cc2sccc2c([O-])c1 ZINC001452689646 1060986455 /nfs/dbraw/zinc/98/64/55/1060986455.db2.gz ZZMHVHRIVKFVLI-UHFFFAOYSA-N -1 3 377.368 3.901 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc3c(cc2[O-])OCO3)c2ccccc2)cc1 ZINC001453208999 1061092857 /nfs/dbraw/zinc/09/28/57/1061092857.db2.gz BLYDFKWJPGYNEB-OAQYLSRUSA-N -1 3 377.396 3.649 20 0 GHADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001453686448 1061179597 /nfs/dbraw/zinc/17/95/97/1061179597.db2.gz KSAAIXBFCFBXCT-VGPLMAKISA-N -1 3 375.266 3.694 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2Cc2cccs2)cc(=O)[n-]1 ZINC001345949041 1061234625 /nfs/dbraw/zinc/23/46/25/1061234625.db2.gz PSQFYRKZLUWQFB-WMLDXEAASA-N -1 3 396.520 3.628 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1c1ccc(F)cc1F ZINC001346267868 1061485707 /nfs/dbraw/zinc/48/57/07/1061485707.db2.gz HNXYKIGMUKNNMT-UONOGXRCSA-N -1 3 397.324 3.587 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1(C)CC1 ZINC001346654315 1061770358 /nfs/dbraw/zinc/77/03/58/1061770358.db2.gz GSVICUKPGNJYTD-OLZOCXBDSA-N -1 3 383.414 3.557 20 0 GHADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001545871449 1062054769 /nfs/dbraw/zinc/05/47/69/1062054769.db2.gz OPXDNISBYDSRNK-UYAOXDASSA-N -1 3 396.516 3.812 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)CC3CCC(c4ccccc4)CC3)C2)n1 ZINC001347303627 1062284248 /nfs/dbraw/zinc/28/42/48/1062284248.db2.gz BHWGUJSVTOPAST-LYBXBRPPSA-N -1 3 394.519 3.550 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C[C@@H](C)c3ccc(C(C)C)cc3)C2)n1 ZINC001347307138 1062285989 /nfs/dbraw/zinc/28/59/89/1062285989.db2.gz XTIOKVOOMPQKOM-DNVCBOLYSA-N -1 3 382.508 3.503 20 0 GHADHM CCN1CCC(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])(c2ccccc2)CC1 ZINC001456036246 1062428319 /nfs/dbraw/zinc/42/83/19/1062428319.db2.gz WKXOIZLKXAINSH-UHFFFAOYSA-N -1 3 384.451 3.726 20 0 GHADHM Cc1cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)oc1Br ZINC001435447123 1062617225 /nfs/dbraw/zinc/61/72/25/1062617225.db2.gz CHPAXZIQUBGEMH-UHFFFAOYSA-N -1 3 395.644 3.896 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C[C@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC001347891938 1062759742 /nfs/dbraw/zinc/75/97/42/1062759742.db2.gz JEBZNUMFCJZISX-INIZCTEOSA-N -1 3 396.535 3.893 20 0 GHADHM CCCCc1nc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c(C(=O)OCC)[n-]1 ZINC001435888055 1062982724 /nfs/dbraw/zinc/98/27/24/1062982724.db2.gz WUFCXKLSQLBSBD-AWEZNQCLSA-N -1 3 377.485 3.607 20 0 GHADHM COCc1ccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1F ZINC001457170961 1062996731 /nfs/dbraw/zinc/99/67/31/1062996731.db2.gz WKHWXYOPNQIDHZ-UHFFFAOYSA-N -1 3 386.452 3.943 20 0 GHADHM COc1cccc([C@H](OC)C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1 ZINC001457171672 1062997121 /nfs/dbraw/zinc/99/71/21/1062997121.db2.gz ZSCKEDGAEURISN-KRWDZBQOSA-N -1 3 398.488 3.740 20 0 GHADHM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1coc(-c2cccnc2)n1 ZINC001436406943 1063436438 /nfs/dbraw/zinc/43/64/38/1063436438.db2.gz WKIJSOZFFMHZNM-UHFFFAOYSA-N -1 3 375.743 3.568 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1C(F)(F)F ZINC001436648084 1063592177 /nfs/dbraw/zinc/59/21/77/1063592177.db2.gz DZXOOHUGEBROEL-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1C(F)(F)F ZINC001436648084 1063592189 /nfs/dbraw/zinc/59/21/89/1063592189.db2.gz DZXOOHUGEBROEL-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM CC[C@@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC ZINC001437095118 1063760490 /nfs/dbraw/zinc/76/04/90/1063760490.db2.gz KNABVTRDNDAOKQ-ZWNOBZJWSA-N -1 3 377.815 3.534 20 0 GHADHM O=C([N-]c1nccc(Br)c1Cl)c1cnc(-c2ncccn2)s1 ZINC001437285296 1063808165 /nfs/dbraw/zinc/80/81/65/1063808165.db2.gz ZYHPJDPNYMCCHR-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2F)c1C ZINC001350600966 1064136995 /nfs/dbraw/zinc/13/69/95/1064136995.db2.gz KIXJGNNMWHTMOA-UHFFFAOYSA-N -1 3 384.454 3.570 20 0 GHADHM CC(C)c1nsc([N-]C(=O)c2cc(Br)cnc2OCC2CC2)n1 ZINC001439088096 1064171286 /nfs/dbraw/zinc/17/12/86/1064171286.db2.gz DBUBYJQXOUJGCZ-UHFFFAOYSA-N -1 3 397.298 3.860 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(Br)cc1F ZINC001463370284 1064289757 /nfs/dbraw/zinc/28/97/57/1064289757.db2.gz JMBLDIIQGPDTDI-IAOVAPTHSA-N -1 3 396.281 3.595 20 0 GHADHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(Br)s1)OC ZINC001463373044 1064292312 /nfs/dbraw/zinc/29/23/12/1064292312.db2.gz JNXXXNMVDOINNI-GFCCVEGCSA-N -1 3 398.388 3.939 20 0 GHADHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001463392079 1064307731 /nfs/dbraw/zinc/30/77/31/1064307731.db2.gz PKXRVLFOZKFVDH-LLVKDONJSA-N -1 3 395.278 3.938 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC001463576355 1064474085 /nfs/dbraw/zinc/47/40/85/1064474085.db2.gz KKMHTUQLEDGLHV-LBPRGKRZSA-N -1 3 388.942 3.896 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCC(C)CC1 ZINC001463639195 1064519420 /nfs/dbraw/zinc/51/94/20/1064519420.db2.gz HEDHZLPTQOQKNQ-UHFFFAOYSA-N -1 3 396.372 3.693 20 0 GHADHM O=S(=O)([N-][C@H]1CC2CCC1CC2)c1cc(Cl)ccc1Br ZINC001463759273 1064592510 /nfs/dbraw/zinc/59/25/10/1064592510.db2.gz RYUDMAVXTAGUMC-ZPPKWKGLSA-N -1 3 378.719 3.960 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)c1 ZINC001463775379 1064605450 /nfs/dbraw/zinc/60/54/50/1064605450.db2.gz KVJRKEBJZKQJSU-CYBMUJFWSA-N -1 3 391.464 3.838 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c(Cl)c1 ZINC001463824883 1064651664 /nfs/dbraw/zinc/65/16/64/1064651664.db2.gz REFXIVCUUHUNAV-UHFFFAOYSA-N -1 3 396.871 3.655 20 0 GHADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CC1 ZINC001463885792 1064695230 /nfs/dbraw/zinc/69/52/30/1064695230.db2.gz XEWXIUFTHAUIFV-KPZWWZAWSA-N -1 3 380.535 3.600 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)sc1Cl ZINC001463897130 1064702345 /nfs/dbraw/zinc/70/23/45/1064702345.db2.gz WZTJCXJWDQCQRK-ZDUSSCGKSA-N -1 3 391.967 3.954 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC001463961757 1064741814 /nfs/dbraw/zinc/74/18/14/1064741814.db2.gz AOAFFLKZGIRZNA-QGZVFWFLSA-N -1 3 376.865 3.731 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCCO1 ZINC001463974374 1064747353 /nfs/dbraw/zinc/74/73/53/1064747353.db2.gz CQLJLECUVJPYKV-NEPJUHHUSA-N -1 3 396.734 3.729 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC001464019512 1064773158 /nfs/dbraw/zinc/77/31/58/1064773158.db2.gz NGYJMOBNGGGJQX-MNOVXSKESA-N -1 3 394.320 3.782 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)oc2ccccc21)c1cnc(Cl)c(F)c1 ZINC001464083481 1064809270 /nfs/dbraw/zinc/80/92/70/1064809270.db2.gz PCCWJZQZCTTZBU-UHFFFAOYSA-N -1 3 375.208 3.752 20 0 GHADHM Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1-n1cnnn1 ZINC001464093413 1064816753 /nfs/dbraw/zinc/81/67/53/1064816753.db2.gz TVTKGVZCQOWOSW-UHFFFAOYSA-N -1 3 387.399 3.721 20 0 GHADHM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)C1 ZINC001464132403 1064845066 /nfs/dbraw/zinc/84/50/66/1064845066.db2.gz ZEPVYDVZHANUSG-CQSZACIVSA-N -1 3 386.517 3.718 20 0 GHADHM O=S(=O)([N-]C1([C@@H]2CCCCO2)CCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001464339373 1064962021 /nfs/dbraw/zinc/96/20/21/1064962021.db2.gz FZZVTURCHLJCJU-LBPRGKRZSA-N -1 3 398.834 3.524 20 0 GHADHM CCSc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC001464368394 1064974320 /nfs/dbraw/zinc/97/43/20/1064974320.db2.gz PKWXQIRDVJRTRW-UHFFFAOYSA-N -1 3 377.318 3.979 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(C)C)c(F)c1 ZINC001464512165 1065055606 /nfs/dbraw/zinc/05/56/06/1065055606.db2.gz YRPOONLDBRLWFL-SFHVURJKSA-N -1 3 393.480 3.548 20 0 GHADHM CCOC(=O)[C@](C)([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC001464570388 1065087739 /nfs/dbraw/zinc/08/77/39/1065087739.db2.gz YTIFVORKAYMPKO-LJQANCHMSA-N -1 3 397.443 3.522 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C(F)(F)F)c1Cl ZINC001464620641 1065116412 /nfs/dbraw/zinc/11/64/12/1065116412.db2.gz WIMNHPGLRPDXOO-CYBMUJFWSA-N -1 3 393.814 3.679 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C ZINC001464755100 1065192613 /nfs/dbraw/zinc/19/26/13/1065192613.db2.gz BPPGEIICYUJSAR-ZDUSSCGKSA-N -1 3 395.415 3.597 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)cn1)c1cc(F)c(F)c(F)c1 ZINC001464804454 1065221379 /nfs/dbraw/zinc/22/13/79/1065221379.db2.gz SAEDHSGHCZFTFQ-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccc(C)c(Cl)c3Cl)C2)n1 ZINC001352804752 1065325120 /nfs/dbraw/zinc/32/51/20/1065325120.db2.gz BAXJBAQCHPRFHU-LBPRGKRZSA-N -1 3 395.290 3.505 20 0 GHADHM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC001465273989 1065517364 /nfs/dbraw/zinc/51/73/64/1065517364.db2.gz ZBEGDUNJBSYSOR-IBGZPJMESA-N -1 3 391.423 3.809 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC(OCCCc2ccccc2)C1 ZINC001465577791 1065725022 /nfs/dbraw/zinc/72/50/22/1065725022.db2.gz SEGMNYZTZAEFER-UHFFFAOYSA-N -1 3 390.277 3.629 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC001465789658 1065858511 /nfs/dbraw/zinc/85/85/11/1065858511.db2.gz XTEFPTULMDOVIG-IBGZPJMESA-N -1 3 385.460 3.898 20 0 GHADHM COc1cccc2c(C(=O)NCc3ccc([O-])c(Br)c3)coc21 ZINC001465961403 1065939080 /nfs/dbraw/zinc/93/90/80/1065939080.db2.gz YLLBZUSNUPRDSG-UHFFFAOYSA-N -1 3 376.206 3.840 20 0 GHADHM O=C(C[C@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccco1 ZINC001466066323 1065971352 /nfs/dbraw/zinc/97/13/52/1065971352.db2.gz ITJDURGOYGOMMP-GFCCVEGCSA-N -1 3 384.819 3.652 20 0 GHADHM COc1cc(/C=C/C(=O)Nc2cccc([O-])c2F)cc(Br)c1O ZINC001466117530 1065987814 /nfs/dbraw/zinc/98/78/14/1065987814.db2.gz OJLZZHCLCXYEGW-AATRIKPKSA-N -1 3 382.185 3.660 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)c([O-])c1 ZINC001466541728 1066185305 /nfs/dbraw/zinc/18/53/05/1066185305.db2.gz FKIKTGBZUGSFEB-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccc2ccccc2n1 ZINC001466817897 1066334972 /nfs/dbraw/zinc/33/49/72/1066334972.db2.gz WVKDOVQLIAONTP-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM CCO[C@@H]1C[C@@](CO)([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)C1(C)C ZINC001466932563 1066398645 /nfs/dbraw/zinc/39/86/45/1066398645.db2.gz XYPFSXYEJPMYRQ-WBMJQRKESA-N -1 3 396.261 3.768 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001468122007 1067603006 /nfs/dbraw/zinc/60/30/06/1067603006.db2.gz FMCIDSXUZFDQTD-KRWDZBQOSA-N -1 3 386.810 3.534 20 0 GHADHM CC(C)=CCC[C@H](C)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001468196864 1067628575 /nfs/dbraw/zinc/62/85/75/1067628575.db2.gz YFDIPMHTZONIDS-AWEZNQCLSA-N -1 3 395.459 3.857 20 0 GHADHM Cn1nc(Br)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001468309296 1067678513 /nfs/dbraw/zinc/67/85/13/1067678513.db2.gz AKVLCVTVYNXKRD-UHFFFAOYSA-N -1 3 386.249 3.731 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC1(C)CCCCC1 ZINC001468639471 1067801531 /nfs/dbraw/zinc/80/15/31/1067801531.db2.gz LBMLZGWNCHIWLW-UHFFFAOYSA-N -1 3 395.459 3.693 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)o1 ZINC000849462501 1067853622 /nfs/dbraw/zinc/85/36/22/1067853622.db2.gz FMVYAGLUDCRVRU-INIZCTEOSA-N -1 3 392.477 3.901 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001468923518 1067928217 /nfs/dbraw/zinc/92/82/17/1067928217.db2.gz OZYPIAXIERTPEW-XOSAIJSUSA-N -1 3 399.457 3.667 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001468978122 1067943083 /nfs/dbraw/zinc/94/30/83/1067943083.db2.gz QQKMLFABZBYOCF-UHFFFAOYSA-N -1 3 398.356 3.814 20 0 GHADHM CCc1cc2c(CSC3CCC4(CC3)OCCO4)cc(=O)oc2cc1[O-] ZINC000849937286 1068007103 /nfs/dbraw/zinc/00/71/03/1068007103.db2.gz WEBHBBMYOWZYTB-UHFFFAOYSA-N -1 3 376.474 3.980 20 0 GHADHM COc1ccc(C(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)c([O-])c1 ZINC001546173486 1068052205 /nfs/dbraw/zinc/05/22/05/1068052205.db2.gz GEGPEEWUHHDQPH-UHFFFAOYSA-N -1 3 379.460 3.696 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)cc1[O-] ZINC001469242813 1068052441 /nfs/dbraw/zinc/05/24/41/1068052441.db2.gz JUQPLCBRQUBGII-FQEVSTJZSA-N -1 3 395.846 3.759 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000765673176 1068119984 /nfs/dbraw/zinc/11/99/84/1068119984.db2.gz KSANOMHPFOWQKT-RHSMWYFYSA-N -1 3 392.496 3.556 20 0 GHADHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001469422609 1068157013 /nfs/dbraw/zinc/15/70/13/1068157013.db2.gz NCCKHHNFZJPYFW-IUODEOHRSA-N -1 3 391.493 3.650 20 0 GHADHM O=C(c1cccnc1SCC1CCCCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715339 1068333197 /nfs/dbraw/zinc/33/31/97/1068333197.db2.gz OFZCTNOPYODWSY-HNNXBMFYSA-N -1 3 386.521 3.812 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC001360133062 1068378777 /nfs/dbraw/zinc/37/87/77/1068378777.db2.gz VSBBIZOSDKWVBX-ZBFHGGJFSA-N -1 3 398.544 3.847 20 0 GHADHM CCC1(CC)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@H](C)[C@@H]1OC ZINC001478218234 1078770245 /nfs/dbraw/zinc/77/02/45/1078770245.db2.gz GFWNPEISDGVTMG-XZJROXQQSA-N -1 3 399.329 3.794 20 0 GHADHM O=C(NCc1nc(-c2ccncc2)cs1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001546221567 1078923939 /nfs/dbraw/zinc/92/39/39/1078923939.db2.gz YDQRCAQWKVRSRZ-UHFFFAOYSA-N -1 3 396.859 3.630 20 0 GHADHM CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(OCCC)c1 ZINC001470697588 1072690718 /nfs/dbraw/zinc/69/07/18/1072690718.db2.gz DXFFGVPXDCUZAA-UHFFFAOYSA-N -1 3 399.491 3.957 20 0 GHADHM CCOc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC001471034108 1072894716 /nfs/dbraw/zinc/89/47/16/1072894716.db2.gz AZYQEVOXPASVMB-IBGZPJMESA-N -1 3 397.862 3.955 20 0 GHADHM CCOc1nnc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)[n-]1 ZINC001471299791 1073005351 /nfs/dbraw/zinc/00/53/51/1073005351.db2.gz DAHQPYRMCGMFHK-UHFFFAOYSA-N -1 3 382.298 3.614 20 0 GHADHM CCOc1nc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n[n-]1 ZINC001471299791 1073005360 /nfs/dbraw/zinc/00/53/60/1073005360.db2.gz DAHQPYRMCGMFHK-UHFFFAOYSA-N -1 3 382.298 3.614 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n1 ZINC001471299791 1073005364 /nfs/dbraw/zinc/00/53/64/1073005364.db2.gz DAHQPYRMCGMFHK-UHFFFAOYSA-N -1 3 382.298 3.614 20 0 GHADHM CCc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)nc1 ZINC001471511973 1073111045 /nfs/dbraw/zinc/11/10/45/1073111045.db2.gz WOFSQRFHJXXBPA-UHFFFAOYSA-N -1 3 396.472 3.548 20 0 GHADHM COc1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1Cl ZINC001471754716 1073208642 /nfs/dbraw/zinc/20/86/42/1073208642.db2.gz ORXWEAQGOLEGQL-UHFFFAOYSA-N -1 3 377.227 3.774 20 0 GHADHM COC(=O)c1cc2cccnc2c([N-]C(=O)c2ncc(Cc3ccccc3)o2)c1 ZINC001472068453 1073323348 /nfs/dbraw/zinc/32/33/48/1073323348.db2.gz VAJYOJWKEVKGKI-UHFFFAOYSA-N -1 3 387.395 3.853 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472108897 1073336403 /nfs/dbraw/zinc/33/64/03/1073336403.db2.gz BWANJSUXRKOCCU-RXMQYKEDSA-N -1 3 383.157 3.630 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472108853 1073336607 /nfs/dbraw/zinc/33/66/07/1073336607.db2.gz BACHIPYHXVQCSO-WPRPVWTQSA-N -1 3 376.766 3.512 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472111698 1073337744 /nfs/dbraw/zinc/33/77/44/1073337744.db2.gz SBAIXJQQSWILQV-NSHDSACASA-N -1 3 388.349 3.794 20 0 GHADHM O=C(NCc1cnn(CC2CCC2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001472142982 1073344350 /nfs/dbraw/zinc/34/43/50/1073344350.db2.gz LGPPGPDZCGTGSC-UHFFFAOYSA-N -1 3 375.472 3.910 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001472228929 1073376214 /nfs/dbraw/zinc/37/62/14/1073376214.db2.gz ZQFIZVSSICCKIW-ZDUSSCGKSA-N -1 3 387.432 3.718 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc4c(c3)ncn4C)n[n-]2)cc1 ZINC001472357602 1073443702 /nfs/dbraw/zinc/44/37/02/1073443702.db2.gz OSDLTCLPLWJLSH-UHFFFAOYSA-N -1 3 378.461 3.544 20 0 GHADHM CC(C)(C)[C@H]1CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001472396921 1073466070 /nfs/dbraw/zinc/46/60/70/1073466070.db2.gz PJPCDGARHRKBQN-GOSISDBHSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1[O-] ZINC001472509828 1073522405 /nfs/dbraw/zinc/52/24/05/1073522405.db2.gz ILJPROOBQKGXFG-HNNXBMFYSA-N -1 3 382.357 3.554 20 0 GHADHM COc1ccc(Cn2ccc([N-]c3nc(OC)cc(C(F)(F)F)n3)n2)cc1 ZINC001472762673 1073654457 /nfs/dbraw/zinc/65/44/57/1073654457.db2.gz JFMCZJQOKUWZFR-UHFFFAOYSA-N -1 3 379.342 3.501 20 0 GHADHM CCc1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)nc1 ZINC001473062137 1073766913 /nfs/dbraw/zinc/76/69/13/1073766913.db2.gz HXNSTLZAAJHLLY-UHFFFAOYSA-N -1 3 377.473 3.830 20 0 GHADHM O=c1[n-]c(SCc2ncccc2Cl)nc2c1cnn2Cc1ccccc1 ZINC001473062929 1073766957 /nfs/dbraw/zinc/76/69/57/1073766957.db2.gz XAWGZEDKOMORKJ-UHFFFAOYSA-N -1 3 383.864 3.921 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC001474778946 1074557668 /nfs/dbraw/zinc/55/76/68/1074557668.db2.gz IZNFHASIHQLPSQ-SGMGOOAPSA-N -1 3 381.519 3.791 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCc2ccccc21)c1cc(F)ccc1Br ZINC001474820332 1074577915 /nfs/dbraw/zinc/57/79/15/1074577915.db2.gz XNCRWFHXTVCXSB-ZDUSSCGKSA-N -1 3 398.297 3.987 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)CCCCCC2)no1 ZINC001474829244 1074582199 /nfs/dbraw/zinc/58/21/99/1074582199.db2.gz AAFZNAZWNHZONY-UHFFFAOYSA-N -1 3 383.901 3.868 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CCSCc2cccc3ccccc32)s1 ZINC001474874352 1074605498 /nfs/dbraw/zinc/60/54/98/1074605498.db2.gz HJGPDYWNKLTABZ-UHFFFAOYSA-N -1 3 378.544 3.816 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)cc1F ZINC001474951952 1074648964 /nfs/dbraw/zinc/64/89/64/1074648964.db2.gz HQBSETAONGUHSR-UHFFFAOYSA-N -1 3 395.349 3.649 20 0 GHADHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475014868 1074684364 /nfs/dbraw/zinc/68/43/64/1074684364.db2.gz WHPILTAMEAENQW-JSGCOSHPSA-N -1 3 385.835 3.841 20 0 GHADHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001475087430 1074731944 /nfs/dbraw/zinc/73/19/44/1074731944.db2.gz RKLWKPHESROLGY-OAHLLOKOSA-N -1 3 375.918 3.516 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CCCCC1 ZINC001475212658 1074788307 /nfs/dbraw/zinc/78/83/07/1074788307.db2.gz WUSJNXOGVQDGHP-QJMRKGMQSA-N -1 3 398.594 3.663 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)c1Cl ZINC001475235451 1074797976 /nfs/dbraw/zinc/79/79/76/1074797976.db2.gz FAEDZWXDPAJQBV-CYBMUJFWSA-N -1 3 386.300 3.974 20 0 GHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)[C@H]1C ZINC001475250891 1074805060 /nfs/dbraw/zinc/80/50/60/1074805060.db2.gz BQTCOLNCOGYWGH-GRYCIOLGSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC001475260580 1074809430 /nfs/dbraw/zinc/80/94/30/1074809430.db2.gz JGIVTWGSUZUCIJ-UHFFFAOYSA-N -1 3 392.315 3.869 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Br)cc1C(F)(F)F ZINC001475378572 1074854561 /nfs/dbraw/zinc/85/45/61/1074854561.db2.gz UWNJVJSPKRCHBJ-QRTLGDNMSA-N -1 3 398.244 3.935 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1CC2CCC1CC2 ZINC001475424828 1074870315 /nfs/dbraw/zinc/87/03/15/1074870315.db2.gz FOQTVFYMXCWYHN-HTAVTVPLSA-N -1 3 378.357 3.924 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccco1 ZINC001475441449 1074876216 /nfs/dbraw/zinc/87/62/16/1074876216.db2.gz UFCKOAOPYVABBO-UHFFFAOYSA-N -1 3 375.368 3.578 20 0 GHADHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3c(C)cccc3Cl)on2)cc1 ZINC001475481049 1074890506 /nfs/dbraw/zinc/89/05/06/1074890506.db2.gz PIGRDBODFFTCPQ-UHFFFAOYSA-N -1 3 392.864 3.791 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](OCCC(C)C)CC2)cc1F ZINC001475507390 1074900429 /nfs/dbraw/zinc/90/04/29/1074900429.db2.gz MHGQHXMZSYGTNP-HDJSIYSDSA-N -1 3 391.480 3.626 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nc2ccccc2s1 ZINC001475535821 1074907759 /nfs/dbraw/zinc/90/77/59/1074907759.db2.gz LTAXGFLOHZOUNP-UHFFFAOYSA-N -1 3 386.420 3.927 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(Br)c1 ZINC001475577288 1074918765 /nfs/dbraw/zinc/91/87/65/1074918765.db2.gz ZHYXJJGUXGYUGZ-QYTUQVAYSA-N -1 3 396.734 3.501 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c([O-])c1 ZINC000008378711 209173609 /nfs/dbraw/zinc/17/36/09/209173609.db2.gz UVGFSRXLTNMVLW-OAHLLOKOSA-N -1 3 388.489 3.516 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736480508 598823315 /nfs/dbraw/zinc/82/33/15/598823315.db2.gz QSESSBAMPGAQCN-KHPPLWFESA-N -1 3 379.439 3.500 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736480508 598823317 /nfs/dbraw/zinc/82/33/17/598823317.db2.gz QSESSBAMPGAQCN-KHPPLWFESA-N -1 3 379.439 3.500 20 0 GHADHM COc1cccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c1OC1CCCC1 ZINC000737132640 598830717 /nfs/dbraw/zinc/83/07/17/598830717.db2.gz OJEZLCJOSCHETN-UHFFFAOYSA-N -1 3 394.479 3.821 20 0 GHADHM COc1cccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c1OC1CCCC1 ZINC000737132640 598830718 /nfs/dbraw/zinc/83/07/18/598830718.db2.gz OJEZLCJOSCHETN-UHFFFAOYSA-N -1 3 394.479 3.821 20 0 GHADHM Cc1nc(C)c(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000737470590 598834141 /nfs/dbraw/zinc/83/41/41/598834141.db2.gz JEOSLHMNVJKVGZ-UHFFFAOYSA-N -1 3 396.501 3.599 20 0 GHADHM O=C(C=Cc1ccccc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737802997 598834186 /nfs/dbraw/zinc/83/41/86/598834186.db2.gz ZJAIFLYIGPSKSK-XFXZXTDPSA-N -1 3 387.468 3.925 20 0 GHADHM CC(F)(F)CCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736095789 598835149 /nfs/dbraw/zinc/83/51/49/598835149.db2.gz JLRGWWYEPVHURG-UHFFFAOYSA-N -1 3 377.420 3.647 20 0 GHADHM C[C@H]1CC(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000736227055 598838356 /nfs/dbraw/zinc/83/83/56/598838356.db2.gz YOGLSNZGNGKKKO-ZIAGYGMSSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@H]1CC(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000736227055 598838357 /nfs/dbraw/zinc/83/83/57/598838357.db2.gz YOGLSNZGNGKKKO-ZIAGYGMSSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2CCCCCC2)c1C ZINC000737502727 598840514 /nfs/dbraw/zinc/84/05/14/598840514.db2.gz IVNPTLMLRFHKTB-UHFFFAOYSA-N -1 3 379.468 3.578 20 0 GHADHM Cc1ccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000737304400 598858543 /nfs/dbraw/zinc/85/85/43/598858543.db2.gz ZCSKPBXVBFIJAG-UHFFFAOYSA-N -1 3 394.410 3.766 20 0 GHADHM Cc1ccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000737304400 598858544 /nfs/dbraw/zinc/85/85/44/598858544.db2.gz ZCSKPBXVBFIJAG-UHFFFAOYSA-N -1 3 394.410 3.766 20 0 GHADHM c1cc(-c2noc(-c3ccc(Oc4ccc(-c5nnn[n-]5)cn4)cc3)n2)cs1 ZINC000738412695 598859206 /nfs/dbraw/zinc/85/92/06/598859206.db2.gz LIXOEHOOPPMXJA-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM c1cc(-c2noc(-c3ccc(Oc4ccc(-c5nn[n-]n5)cn4)cc3)n2)cs1 ZINC000738412695 598859207 /nfs/dbraw/zinc/85/92/07/598859207.db2.gz LIXOEHOOPPMXJA-UHFFFAOYSA-N -1 3 389.400 3.833 20 0 GHADHM Clc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000737577136 598862097 /nfs/dbraw/zinc/86/20/97/598862097.db2.gz TZCHMCHSUDFOMG-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000737577136 598862100 /nfs/dbraw/zinc/86/21/00/598862100.db2.gz TZCHMCHSUDFOMG-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000737956148 598865974 /nfs/dbraw/zinc/86/59/74/598865974.db2.gz WGNDANOBFDAONF-UHFFFAOYSA-N -1 3 390.472 3.536 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000737956148 598865976 /nfs/dbraw/zinc/86/59/76/598865976.db2.gz WGNDANOBFDAONF-UHFFFAOYSA-N -1 3 390.472 3.536 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000736039353 598881441 /nfs/dbraw/zinc/88/14/41/598881441.db2.gz ITYPNMICVSFTDY-NSHDSACASA-N -1 3 392.337 3.510 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000736039353 598881442 /nfs/dbraw/zinc/88/14/42/598881442.db2.gz ITYPNMICVSFTDY-NSHDSACASA-N -1 3 392.337 3.510 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2nccc3ccccc32)no1 ZINC000736167320 598890259 /nfs/dbraw/zinc/89/02/59/598890259.db2.gz DHTWJGPZISILFH-LBPRGKRZSA-N -1 3 385.387 3.605 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737448738 598904129 /nfs/dbraw/zinc/90/41/29/598904129.db2.gz ONICOQQCQYEAMT-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737448738 598904130 /nfs/dbraw/zinc/90/41/30/598904130.db2.gz ONICOQQCQYEAMT-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738214832 598909929 /nfs/dbraw/zinc/90/99/29/598909929.db2.gz NUQIIATVMHHKFO-AWEZNQCLSA-N -1 3 396.756 3.851 20 0 GHADHM O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738214832 598909931 /nfs/dbraw/zinc/90/99/31/598909931.db2.gz NUQIIATVMHHKFO-AWEZNQCLSA-N -1 3 396.756 3.851 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736404802 598923112 /nfs/dbraw/zinc/92/31/12/598923112.db2.gz BEMVKCXWMADPOE-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736404802 598923115 /nfs/dbraw/zinc/92/31/15/598923115.db2.gz BEMVKCXWMADPOE-KUHUBIRLSA-N -1 3 376.464 3.647 20 0 GHADHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000114637844 598925004 /nfs/dbraw/zinc/92/50/04/598925004.db2.gz OOMAAWVNFAQHEZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000114637844 598925006 /nfs/dbraw/zinc/92/50/06/598925006.db2.gz OOMAAWVNFAQHEZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000735817870 598925923 /nfs/dbraw/zinc/92/59/23/598925923.db2.gz GHABQYCZVZUBMH-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000735817870 598925924 /nfs/dbraw/zinc/92/59/24/598925924.db2.gz GHABQYCZVZUBMH-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM CC(C)OCCOCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735903433 598939386 /nfs/dbraw/zinc/93/93/86/598939386.db2.gz FBXYAJCGMPHIQA-UHFFFAOYSA-N -1 3 388.859 3.600 20 0 GHADHM CC(C)OCCOCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735903433 598939388 /nfs/dbraw/zinc/93/93/88/598939388.db2.gz FBXYAJCGMPHIQA-UHFFFAOYSA-N -1 3 388.859 3.600 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736204993 598944673 /nfs/dbraw/zinc/94/46/73/598944673.db2.gz UZDBGCIHGJCNCE-MRXNPFEDSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736204993 598944676 /nfs/dbraw/zinc/94/46/76/598944676.db2.gz UZDBGCIHGJCNCE-MRXNPFEDSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736247936 598985842 /nfs/dbraw/zinc/98/58/42/598985842.db2.gz HQICFNYWUVBPSP-HOTGVXAUSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000735819466 598987093 /nfs/dbraw/zinc/98/70/93/598987093.db2.gz WAMOBWCGZPDOCK-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000735819466 598987095 /nfs/dbraw/zinc/98/70/95/598987095.db2.gz WAMOBWCGZPDOCK-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736257025 598987688 /nfs/dbraw/zinc/98/76/88/598987688.db2.gz ZSTHFBJFYNVBKS-HNAYVOBHSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736257025 598987690 /nfs/dbraw/zinc/98/76/90/598987690.db2.gz ZSTHFBJFYNVBKS-HNAYVOBHSA-N -1 3 391.475 3.754 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H](C)C(C)C ZINC000736508047 598998696 /nfs/dbraw/zinc/99/86/96/598998696.db2.gz IPAJKOFBFLYOJR-INIZCTEOSA-N -1 3 393.491 3.952 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000737293328 599021588 /nfs/dbraw/zinc/02/15/88/599021588.db2.gz BSWBYUPXOXGCGO-NHYWBVRUSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000737293328 599021590 /nfs/dbraw/zinc/02/15/90/599021590.db2.gz BSWBYUPXOXGCGO-NHYWBVRUSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C2CC2)cc1C ZINC000737336346 599022048 /nfs/dbraw/zinc/02/20/48/599022048.db2.gz AEHYQELLALSCNL-UHFFFAOYSA-N -1 3 376.464 3.988 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C2CC2)cc1C ZINC000737336346 599022050 /nfs/dbraw/zinc/02/20/50/599022050.db2.gz AEHYQELLALSCNL-UHFFFAOYSA-N -1 3 376.464 3.988 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000737996616 599040669 /nfs/dbraw/zinc/04/06/69/599040669.db2.gz GRYPQWQFUIPBLJ-CYBMUJFWSA-N -1 3 381.745 3.554 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000737996616 599040672 /nfs/dbraw/zinc/04/06/72/599040672.db2.gz GRYPQWQFUIPBLJ-CYBMUJFWSA-N -1 3 381.745 3.554 20 0 GHADHM CCN(C(=O)c1cccc2ccc(C)nc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507549 599040919 /nfs/dbraw/zinc/04/09/19/599040919.db2.gz FILWXDFTAVVJIG-HNNXBMFYSA-N -1 3 386.459 3.947 20 0 GHADHM CCN(C(=O)c1cccc2ccc(C)nc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507549 599040922 /nfs/dbraw/zinc/04/09/22/599040922.db2.gz FILWXDFTAVVJIG-HNNXBMFYSA-N -1 3 386.459 3.947 20 0 GHADHM COc1ccc(CC[C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737087747 599050071 /nfs/dbraw/zinc/05/00/71/599050071.db2.gz IRNIAPMEQSTKTC-LLVKDONJSA-N -1 3 392.385 3.722 20 0 GHADHM COc1ccc(CC[C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737087747 599050074 /nfs/dbraw/zinc/05/00/74/599050074.db2.gz IRNIAPMEQSTKTC-LLVKDONJSA-N -1 3 392.385 3.722 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000737639790 599061724 /nfs/dbraw/zinc/06/17/24/599061724.db2.gz FYZPYVONWZBMHD-ZDUSSCGKSA-N -1 3 392.360 3.715 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735874679 599062850 /nfs/dbraw/zinc/06/28/50/599062850.db2.gz UMRTYZYZDFXEPC-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735874679 599062851 /nfs/dbraw/zinc/06/28/51/599062851.db2.gz UMRTYZYZDFXEPC-UHFFFAOYSA-N -1 3 385.468 3.535 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000735558842 599069988 /nfs/dbraw/zinc/06/99/88/599069988.db2.gz GLJNURJAHGMCDM-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000735558842 599069992 /nfs/dbraw/zinc/06/99/92/599069992.db2.gz GLJNURJAHGMCDM-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000735904144 599070707 /nfs/dbraw/zinc/07/07/07/599070707.db2.gz LUNPQXXXMXIVQE-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000735904144 599070710 /nfs/dbraw/zinc/07/07/10/599070710.db2.gz LUNPQXXXMXIVQE-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000735593900 599079215 /nfs/dbraw/zinc/07/92/15/599079215.db2.gz NUNPFZXHBMJYRE-INIZCTEOSA-N -1 3 384.871 3.822 20 0 GHADHM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000735593900 599079218 /nfs/dbraw/zinc/07/92/18/599079218.db2.gz NUNPFZXHBMJYRE-INIZCTEOSA-N -1 3 384.871 3.822 20 0 GHADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821679003 599090195 /nfs/dbraw/zinc/09/01/95/599090195.db2.gz VUMYDIHZVVQFRK-GFCCVEGCSA-N -1 3 398.776 3.734 20 0 GHADHM CO[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821679003 599090197 /nfs/dbraw/zinc/09/01/97/599090197.db2.gz VUMYDIHZVVQFRK-GFCCVEGCSA-N -1 3 398.776 3.734 20 0 GHADHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820995418 599101991 /nfs/dbraw/zinc/10/19/91/599101991.db2.gz RATVYVDFYQNCED-VIFPVBQESA-N -1 3 378.864 3.539 20 0 GHADHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820995418 599101992 /nfs/dbraw/zinc/10/19/92/599101992.db2.gz RATVYVDFYQNCED-VIFPVBQESA-N -1 3 378.864 3.539 20 0 GHADHM COCCN(C(=O)c1cc2cc(Cl)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988438 599115156 /nfs/dbraw/zinc/11/51/56/599115156.db2.gz MZEYJFVRHLEHDP-UHFFFAOYSA-N -1 3 397.822 3.560 20 0 GHADHM COCCN(C(=O)c1cc2cc(Cl)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988438 599115159 /nfs/dbraw/zinc/11/51/59/599115159.db2.gz MZEYJFVRHLEHDP-UHFFFAOYSA-N -1 3 397.822 3.560 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000737409492 599124682 /nfs/dbraw/zinc/12/46/82/599124682.db2.gz ORQJDWZWKCIESH-HNAYVOBHSA-N -1 3 386.459 3.690 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000737409492 599124685 /nfs/dbraw/zinc/12/46/85/599124685.db2.gz ORQJDWZWKCIESH-HNAYVOBHSA-N -1 3 386.459 3.690 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823065862 599128764 /nfs/dbraw/zinc/12/87/64/599128764.db2.gz CZNZXHSMDUEQPX-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823065862 599128766 /nfs/dbraw/zinc/12/87/66/599128766.db2.gz CZNZXHSMDUEQPX-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM CC(C)[C@H](C)SCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820020614 599129412 /nfs/dbraw/zinc/12/94/12/599129412.db2.gz IJRLABFVMIFARJ-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)[C@H](C)SCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820020614 599129416 /nfs/dbraw/zinc/12/94/16/599129416.db2.gz IJRLABFVMIFARJ-NSHDSACASA-N -1 3 379.555 3.913 20 0 GHADHM Fc1ccc(CSc2nnc(CCCc3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000822774517 599134064 /nfs/dbraw/zinc/13/40/64/599134064.db2.gz LEWIVRQTTXUGQN-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Fc1ccc(CSc2nnc(CCCc3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000822774517 599134066 /nfs/dbraw/zinc/13/40/66/599134066.db2.gz LEWIVRQTTXUGQN-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000742651065 599139135 /nfs/dbraw/zinc/13/91/35/599139135.db2.gz ZLGGZHRQPNTKGK-XFXZXTDPSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000742651065 599139136 /nfs/dbraw/zinc/13/91/36/599139136.db2.gz ZLGGZHRQPNTKGK-XFXZXTDPSA-N -1 3 387.365 3.605 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000822227379 599141985 /nfs/dbraw/zinc/14/19/85/599141985.db2.gz GTCKUMDTXUUDML-ZDUSSCGKSA-N -1 3 390.403 3.698 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820868975 599159685 /nfs/dbraw/zinc/15/96/85/599159685.db2.gz DCVAKADFOAWDBX-UONOGXRCSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820868975 599159688 /nfs/dbraw/zinc/15/96/88/599159688.db2.gz DCVAKADFOAWDBX-UONOGXRCSA-N -1 3 383.452 3.593 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818660 599159842 /nfs/dbraw/zinc/15/98/42/599159842.db2.gz QLCQOZUYMZVOTO-HZPDHXFCSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818660 599159843 /nfs/dbraw/zinc/15/98/43/599159843.db2.gz QLCQOZUYMZVOTO-HZPDHXFCSA-N -1 3 397.429 3.938 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737422026 599169299 /nfs/dbraw/zinc/16/92/99/599169299.db2.gz ODAWJATXOCQGNT-STQMWFEESA-N -1 3 385.468 3.672 20 0 GHADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737422026 599169300 /nfs/dbraw/zinc/16/93/00/599169300.db2.gz ODAWJATXOCQGNT-STQMWFEESA-N -1 3 385.468 3.672 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736682360 599169568 /nfs/dbraw/zinc/16/95/68/599169568.db2.gz BIWBBXWOAYIPTG-GFCCVEGCSA-N -1 3 385.468 3.538 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736682360 599169569 /nfs/dbraw/zinc/16/95/69/599169569.db2.gz BIWBBXWOAYIPTG-GFCCVEGCSA-N -1 3 385.468 3.538 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736235966 599175732 /nfs/dbraw/zinc/17/57/32/599175732.db2.gz QMGDPDAMIMOROL-SJCJKPOMSA-N -1 3 382.468 3.786 20 0 GHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736235966 599175734 /nfs/dbraw/zinc/17/57/34/599175734.db2.gz QMGDPDAMIMOROL-SJCJKPOMSA-N -1 3 382.468 3.786 20 0 GHADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)s1 ZINC000736495808 599178624 /nfs/dbraw/zinc/17/86/24/599178624.db2.gz QVJWDGPGKDCNKQ-VIFPVBQESA-N -1 3 388.522 3.714 20 0 GHADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)s1 ZINC000736495808 599178627 /nfs/dbraw/zinc/17/86/27/599178627.db2.gz QVJWDGPGKDCNKQ-VIFPVBQESA-N -1 3 388.522 3.714 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735643002 599179833 /nfs/dbraw/zinc/17/98/33/599179833.db2.gz JFZFUINMBNQDEN-NDEPHWFRSA-N -1 3 398.492 3.558 20 0 GHADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735643002 599179836 /nfs/dbraw/zinc/17/98/36/599179836.db2.gz JFZFUINMBNQDEN-NDEPHWFRSA-N -1 3 398.492 3.558 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112201 599180833 /nfs/dbraw/zinc/18/08/33/599180833.db2.gz MTPLVEMFEQGVSI-HOTGVXAUSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112201 599180834 /nfs/dbraw/zinc/18/08/34/599180834.db2.gz MTPLVEMFEQGVSI-HOTGVXAUSA-N -1 3 388.258 3.593 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352905 599182680 /nfs/dbraw/zinc/18/26/80/599182680.db2.gz MIZDYBSTRHACHN-FZKQIMNGSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352905 599182683 /nfs/dbraw/zinc/18/26/83/599182683.db2.gz MIZDYBSTRHACHN-FZKQIMNGSA-N -1 3 398.898 3.902 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000821949074 599186099 /nfs/dbraw/zinc/18/60/99/599186099.db2.gz FJPCYICKTAGZEJ-YJBOKZPZSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821949074 599186100 /nfs/dbraw/zinc/18/61/00/599186100.db2.gz FJPCYICKTAGZEJ-YJBOKZPZSA-N -1 3 395.488 3.673 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000737056232 599187428 /nfs/dbraw/zinc/18/74/28/599187428.db2.gz AETDWLHZVAXYIC-UHFFFAOYSA-N -1 3 387.443 3.945 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000737056232 599187430 /nfs/dbraw/zinc/18/74/30/599187430.db2.gz AETDWLHZVAXYIC-UHFFFAOYSA-N -1 3 387.443 3.945 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccn(C(C)C)n2)n1 ZINC000737244350 599192472 /nfs/dbraw/zinc/19/24/72/599192472.db2.gz FQKXEGXDWQTSCT-UHFFFAOYSA-N -1 3 383.403 3.659 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738269836 599198324 /nfs/dbraw/zinc/19/83/24/599198324.db2.gz RKPZCYFYXAGWBF-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738269836 599198325 /nfs/dbraw/zinc/19/83/25/599198325.db2.gz RKPZCYFYXAGWBF-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM C[C@@H]1C[C@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736239693 599199343 /nfs/dbraw/zinc/19/93/43/599199343.db2.gz TUEUVMZTKWWOLQ-YPMHNXCESA-N -1 3 383.839 3.698 20 0 GHADHM C[C@@H]1C[C@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736239693 599199345 /nfs/dbraw/zinc/19/93/45/599199345.db2.gz TUEUVMZTKWWOLQ-YPMHNXCESA-N -1 3 383.839 3.698 20 0 GHADHM C[C@H]1C[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736239681 599199349 /nfs/dbraw/zinc/19/93/49/599199349.db2.gz TUEUVMZTKWWOLQ-WCQYABFASA-N -1 3 383.839 3.698 20 0 GHADHM C[C@H]1C[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736239681 599199351 /nfs/dbraw/zinc/19/93/51/599199351.db2.gz TUEUVMZTKWWOLQ-WCQYABFASA-N -1 3 383.839 3.698 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)C1 ZINC000736276410 599199381 /nfs/dbraw/zinc/19/93/81/599199381.db2.gz HJEQVXHOSURTFP-LBPRGKRZSA-N -1 3 383.839 3.794 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)no1 ZINC000737273583 599200589 /nfs/dbraw/zinc/20/05/89/599200589.db2.gz FUZDDAXOPQBOJS-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)no1 ZINC000737273583 599200592 /nfs/dbraw/zinc/20/05/92/599200592.db2.gz FUZDDAXOPQBOJS-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)no1 ZINC000737275003 599201170 /nfs/dbraw/zinc/20/11/70/599201170.db2.gz SLPINZMLXHFBMT-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299880 599202893 /nfs/dbraw/zinc/20/28/93/599202893.db2.gz XZZUHHMCOPEKGS-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299880 599202895 /nfs/dbraw/zinc/20/28/95/599202895.db2.gz XZZUHHMCOPEKGS-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924413 599215502 /nfs/dbraw/zinc/21/55/02/599215502.db2.gz SPXWYLGXCGGFPD-INIZCTEOSA-N -1 3 393.491 3.679 20 0 GHADHM CC(C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccs1 ZINC000735671798 599218610 /nfs/dbraw/zinc/21/86/10/599218610.db2.gz JMNQVYGTIHOXKF-UHFFFAOYSA-N -1 3 394.407 3.586 20 0 GHADHM CC(C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccs1 ZINC000735671798 599218613 /nfs/dbraw/zinc/21/86/13/599218613.db2.gz JMNQVYGTIHOXKF-UHFFFAOYSA-N -1 3 394.407 3.586 20 0 GHADHM CCSCC[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461006 599218690 /nfs/dbraw/zinc/21/86/90/599218690.db2.gz IVORYPFVYCFASV-CQSZACIVSA-N -1 3 396.520 3.872 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232743 599221740 /nfs/dbraw/zinc/22/17/40/599221740.db2.gz ABEHBKDXOCAXHR-KBXCAEBGSA-N -1 3 379.464 3.701 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232743 599221742 /nfs/dbraw/zinc/22/17/42/599221742.db2.gz ABEHBKDXOCAXHR-KBXCAEBGSA-N -1 3 379.464 3.701 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822233168 599221776 /nfs/dbraw/zinc/22/17/76/599221776.db2.gz IXAMIXCBXMXAQQ-ZYRHBWTNSA-N -1 3 377.448 3.781 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822233168 599221777 /nfs/dbraw/zinc/22/17/77/599221777.db2.gz IXAMIXCBXMXAQQ-ZYRHBWTNSA-N -1 3 377.448 3.781 20 0 GHADHM Cc1ccc(-c2nnc(CSCc3ccc(F)cc3-c3nnn[n-]3)o2)cc1 ZINC000822214073 599223766 /nfs/dbraw/zinc/22/37/66/599223766.db2.gz NXKLHUVJQMFTES-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(-c2nnc(CSCc3ccc(F)cc3-c3nn[n-]n3)o2)cc1 ZINC000822214073 599223767 /nfs/dbraw/zinc/22/37/67/599223767.db2.gz NXKLHUVJQMFTES-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(-c2nnc(CSCCOc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822213910 599224009 /nfs/dbraw/zinc/22/40/09/599224009.db2.gz GPUIEWCZVVTEOW-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM Cc1ccc(-c2nnc(CSCCOc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213910 599224011 /nfs/dbraw/zinc/22/40/11/599224011.db2.gz GPUIEWCZVVTEOW-UHFFFAOYSA-N -1 3 394.460 3.537 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820021832 599230594 /nfs/dbraw/zinc/23/05/94/599230594.db2.gz ZFKIRLDCLWJBNC-SFHVURJKSA-N -1 3 398.511 3.902 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820021832 599230596 /nfs/dbraw/zinc/23/05/96/599230596.db2.gz ZFKIRLDCLWJBNC-SFHVURJKSA-N -1 3 398.511 3.902 20 0 GHADHM CCc1ccc([C@@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C(C)C)cc1 ZINC000821482179 607262933 /nfs/dbraw/zinc/26/29/33/607262933.db2.gz REYJZJQGAZBNFZ-INIZCTEOSA-N -1 3 384.871 3.605 20 0 GHADHM CCc1ccc([C@@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C(C)C)cc1 ZINC000821482179 607262934 /nfs/dbraw/zinc/26/29/34/607262934.db2.gz REYJZJQGAZBNFZ-INIZCTEOSA-N -1 3 384.871 3.605 20 0 GHADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000737181477 599234025 /nfs/dbraw/zinc/23/40/25/599234025.db2.gz VYMSLYPLNROEQZ-GHMZBOCLSA-N -1 3 376.436 3.779 20 0 GHADHM CS[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000737181477 599234028 /nfs/dbraw/zinc/23/40/28/599234028.db2.gz VYMSLYPLNROEQZ-GHMZBOCLSA-N -1 3 376.436 3.779 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379516 599242893 /nfs/dbraw/zinc/24/28/93/599242893.db2.gz CKNJJABVDMPVIY-OAHLLOKOSA-N -1 3 391.479 3.740 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379516 599242896 /nfs/dbraw/zinc/24/28/96/599242896.db2.gz CKNJJABVDMPVIY-OAHLLOKOSA-N -1 3 391.479 3.740 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000820897678 607276663 /nfs/dbraw/zinc/27/66/63/607276663.db2.gz LITCQNQTGBAFMJ-UHFFFAOYSA-N -1 3 395.511 3.723 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000820897678 607276664 /nfs/dbraw/zinc/27/66/64/607276664.db2.gz LITCQNQTGBAFMJ-UHFFFAOYSA-N -1 3 395.511 3.723 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000737188568 599247682 /nfs/dbraw/zinc/24/76/82/599247682.db2.gz CBUATISJRCABKU-FPMFFAJLSA-N -1 3 398.536 3.560 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817591 599248105 /nfs/dbraw/zinc/24/81/05/599248105.db2.gz CMBMXMDYAHDBEY-KRWDZBQOSA-N -1 3 391.475 3.812 20 0 GHADHM CC(C)CN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817591 599248107 /nfs/dbraw/zinc/24/81/07/599248107.db2.gz CMBMXMDYAHDBEY-KRWDZBQOSA-N -1 3 391.475 3.812 20 0 GHADHM Clc1ccc(CN2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)s1 ZINC000822573605 599252977 /nfs/dbraw/zinc/25/29/77/599252977.db2.gz CJBCTJCCAFHLAY-UHFFFAOYSA-N -1 3 395.319 3.557 20 0 GHADHM Clc1ccc(CN2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)s1 ZINC000822573605 599252978 /nfs/dbraw/zinc/25/29/78/599252978.db2.gz CJBCTJCCAFHLAY-UHFFFAOYSA-N -1 3 395.319 3.557 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821891294 607287847 /nfs/dbraw/zinc/28/78/47/607287847.db2.gz ZXBUVRHNPWEVEJ-GOSISDBHSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821891294 607287848 /nfs/dbraw/zinc/28/78/48/607287848.db2.gz ZXBUVRHNPWEVEJ-GOSISDBHSA-N -1 3 392.463 3.943 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000822090082 607285885 /nfs/dbraw/zinc/28/58/85/607285885.db2.gz IOQHDJZHNFWXGY-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000822090082 607285886 /nfs/dbraw/zinc/28/58/86/607285886.db2.gz IOQHDJZHNFWXGY-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820666758 599262586 /nfs/dbraw/zinc/26/25/86/599262586.db2.gz JNOYIDWKPFDTGL-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820666758 599262589 /nfs/dbraw/zinc/26/25/89/599262589.db2.gz JNOYIDWKPFDTGL-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cccc1-c1nnn[n-]1 ZINC000822104976 607294286 /nfs/dbraw/zinc/29/42/86/607294286.db2.gz SKTLQPKZRWTROG-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cccc1-c1nn[n-]n1 ZINC000822104976 607294287 /nfs/dbraw/zinc/29/42/87/607294287.db2.gz SKTLQPKZRWTROG-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737264117 599259549 /nfs/dbraw/zinc/25/95/49/599259549.db2.gz NQZPXYDQFTXMCV-CYBMUJFWSA-N -1 3 397.866 3.575 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737264117 599259552 /nfs/dbraw/zinc/25/95/52/599259552.db2.gz NQZPXYDQFTXMCV-CYBMUJFWSA-N -1 3 397.866 3.575 20 0 GHADHM Cc1c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822059577 607296210 /nfs/dbraw/zinc/29/62/10/607296210.db2.gz CTIMOIUERFDIAR-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM Cc1c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822059577 607296211 /nfs/dbraw/zinc/29/62/11/607296211.db2.gz CTIMOIUERFDIAR-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736106123 599261477 /nfs/dbraw/zinc/26/14/77/599261477.db2.gz STKXBJIUXJTAAC-LLVKDONJSA-N -1 3 390.274 3.984 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736106123 599261479 /nfs/dbraw/zinc/26/14/79/599261479.db2.gz STKXBJIUXJTAAC-LLVKDONJSA-N -1 3 390.274 3.984 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000820902272 607303569 /nfs/dbraw/zinc/30/35/69/607303569.db2.gz IVLCUOOZBNWCKT-NSHDSACASA-N -1 3 399.524 3.863 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820902272 607303570 /nfs/dbraw/zinc/30/35/70/607303570.db2.gz IVLCUOOZBNWCKT-NSHDSACASA-N -1 3 399.524 3.863 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820902816 607303727 /nfs/dbraw/zinc/30/37/27/607303727.db2.gz NZVWYTIHXLEEGS-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820902816 607303728 /nfs/dbraw/zinc/30/37/28/607303728.db2.gz NZVWYTIHXLEEGS-UHFFFAOYSA-N -1 3 385.497 3.617 20 0 GHADHM Cc1cc([C@@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)no1 ZINC000737262917 599267573 /nfs/dbraw/zinc/26/75/73/599267573.db2.gz JEWVFAHFEOYHLF-INIZCTEOSA-N -1 3 379.399 3.500 20 0 GHADHM Cc1cc([C@@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)no1 ZINC000737262917 599267574 /nfs/dbraw/zinc/26/75/74/599267574.db2.gz JEWVFAHFEOYHLF-INIZCTEOSA-N -1 3 379.399 3.500 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000822217907 599270260 /nfs/dbraw/zinc/27/02/60/599270260.db2.gz REKGUQCLKXPTDW-QAPCUYQASA-N -1 3 376.464 3.833 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000822217907 599270262 /nfs/dbraw/zinc/27/02/62/599270262.db2.gz REKGUQCLKXPTDW-QAPCUYQASA-N -1 3 376.464 3.833 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC000820380266 599270694 /nfs/dbraw/zinc/27/06/94/599270694.db2.gz OTFBROBOMZZBEB-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC000820380266 599270698 /nfs/dbraw/zinc/27/06/98/599270698.db2.gz OTFBROBOMZZBEB-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(CSC2CCOCC2)c1 ZINC000823751665 607317947 /nfs/dbraw/zinc/31/79/47/607317947.db2.gz PBPCLXCNVCHQML-UHFFFAOYSA-N -1 3 387.534 3.953 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1ccccc1F ZINC000736487445 599276877 /nfs/dbraw/zinc/27/68/77/599276877.db2.gz FISJJVYPLGZNQH-UHFFFAOYSA-N -1 3 398.442 3.625 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1OC(C)C ZINC000736488907 599277377 /nfs/dbraw/zinc/27/73/77/599277377.db2.gz TZJWGFYHDLEPCG-UHFFFAOYSA-N -1 3 394.479 3.657 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000822203442 607319727 /nfs/dbraw/zinc/31/97/27/607319727.db2.gz UGLGENGRUROMDA-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000822203442 607319728 /nfs/dbraw/zinc/31/97/28/607319728.db2.gz UGLGENGRUROMDA-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N(C)CCC)cc1 ZINC000736489338 599278863 /nfs/dbraw/zinc/27/88/63/599278863.db2.gz XYEJJOJLTRMGHZ-UHFFFAOYSA-N -1 3 393.495 3.787 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000736487833 599278956 /nfs/dbraw/zinc/27/89/56/599278956.db2.gz LJUVQWGFNVULNG-QWHCGFSZSA-N -1 3 396.417 3.996 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820380551 599281081 /nfs/dbraw/zinc/28/10/81/599281081.db2.gz WEMLNQXUIZVVKG-CQSZACIVSA-N -1 3 379.468 3.594 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820380551 599281083 /nfs/dbraw/zinc/28/10/83/599281083.db2.gz WEMLNQXUIZVVKG-CQSZACIVSA-N -1 3 379.468 3.594 20 0 GHADHM C[C@@H](Sc1nnc2sc3ccccc3n12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191781 599286607 /nfs/dbraw/zinc/28/66/07/599286607.db2.gz IOWIXVBHGUCPTF-SNVBAGLBSA-N -1 3 379.474 3.977 20 0 GHADHM C[C@@H](Sc1nnc2sc3ccccc3n12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191781 599286609 /nfs/dbraw/zinc/28/66/09/599286609.db2.gz IOWIXVBHGUCPTF-SNVBAGLBSA-N -1 3 379.474 3.977 20 0 GHADHM COc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821831933 599287335 /nfs/dbraw/zinc/28/73/35/599287335.db2.gz SWZFUOYYIRETIV-UHFFFAOYSA-N -1 3 378.314 3.538 20 0 GHADHM COc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821831933 599287336 /nfs/dbraw/zinc/28/73/36/599287336.db2.gz SWZFUOYYIRETIV-UHFFFAOYSA-N -1 3 378.314 3.538 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820595435 599288112 /nfs/dbraw/zinc/28/81/12/599288112.db2.gz JCVWVYRHGYAIJU-UHFFFAOYSA-N -1 3 382.390 3.930 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820595435 599288114 /nfs/dbraw/zinc/28/81/14/599288114.db2.gz JCVWVYRHGYAIJU-UHFFFAOYSA-N -1 3 382.390 3.930 20 0 GHADHM COc1ccc(-c2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2C)cc1 ZINC000737056364 599288202 /nfs/dbraw/zinc/28/82/02/599288202.db2.gz KLSBNNVEFYUCOY-GFCCVEGCSA-N -1 3 393.476 3.524 20 0 GHADHM COc1ccc(-c2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n2C)cc1 ZINC000737056364 599288205 /nfs/dbraw/zinc/28/82/05/599288205.db2.gz KLSBNNVEFYUCOY-GFCCVEGCSA-N -1 3 393.476 3.524 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000735505603 599289458 /nfs/dbraw/zinc/28/94/58/599289458.db2.gz SZEYFQGVWNWSRS-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000735505603 599289460 /nfs/dbraw/zinc/28/94/60/599289460.db2.gz SZEYFQGVWNWSRS-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000820149576 598203700 /nfs/dbraw/zinc/20/37/00/598203700.db2.gz ZFHJWMWGUKPDNU-HNNXBMFYSA-N -1 3 375.428 3.883 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737850867 598232364 /nfs/dbraw/zinc/23/23/64/598232364.db2.gz BCMNZFMSQMWLDB-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737850867 598232366 /nfs/dbraw/zinc/23/23/66/598232366.db2.gz BCMNZFMSQMWLDB-FQEVSTJZSA-N -1 3 379.439 3.596 20 0 GHADHM Cc1nnc(N[C@@H](C)Cc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000737520639 598245205 /nfs/dbraw/zinc/24/52/05/598245205.db2.gz LEDHEGYHDVQBAY-QMMMGPOBSA-N -1 3 378.267 3.623 20 0 GHADHM Cc1nnc(N[C@@H](C)Cc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1C ZINC000737520639 598245206 /nfs/dbraw/zinc/24/52/06/598245206.db2.gz LEDHEGYHDVQBAY-QMMMGPOBSA-N -1 3 378.267 3.623 20 0 GHADHM COc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1Br ZINC000737096427 598248197 /nfs/dbraw/zinc/24/81/97/598248197.db2.gz UYNKZYPJTOIZFY-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1Br ZINC000737096427 598248198 /nfs/dbraw/zinc/24/81/98/598248198.db2.gz UYNKZYPJTOIZFY-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COCCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736978494 598267937 /nfs/dbraw/zinc/26/79/37/598267937.db2.gz LHZKCRYVJJYOIR-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM COCCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736978494 598267939 /nfs/dbraw/zinc/26/79/39/598267939.db2.gz LHZKCRYVJJYOIR-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737411392 598272896 /nfs/dbraw/zinc/27/28/96/598272896.db2.gz XONHCESFVYUFTM-FQEVSTJZSA-N -1 3 390.491 3.783 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737411392 598272897 /nfs/dbraw/zinc/27/28/97/598272897.db2.gz XONHCESFVYUFTM-FQEVSTJZSA-N -1 3 390.491 3.783 20 0 GHADHM CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736740816 598296028 /nfs/dbraw/zinc/29/60/28/598296028.db2.gz FZGVNQOSNQSRCE-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736740816 598296030 /nfs/dbraw/zinc/29/60/30/598296030.db2.gz FZGVNQOSNQSRCE-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)CSCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736736291 598311000 /nfs/dbraw/zinc/31/10/00/598311000.db2.gz CBLPJVZYOHOYLZ-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM CN(C(=O)CSCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736736291 598311002 /nfs/dbraw/zinc/31/10/02/598311002.db2.gz CBLPJVZYOHOYLZ-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731706 598311043 /nfs/dbraw/zinc/31/10/43/598311043.db2.gz FMRBPFDGFJAGFU-UHFFFAOYSA-N -1 3 394.237 3.908 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731706 598311045 /nfs/dbraw/zinc/31/10/45/598311045.db2.gz FMRBPFDGFJAGFU-UHFFFAOYSA-N -1 3 394.237 3.908 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736121378 598312600 /nfs/dbraw/zinc/31/26/00/598312600.db2.gz CFVSEAYVMCYQAF-CQSZACIVSA-N -1 3 385.427 3.730 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000736121378 598312602 /nfs/dbraw/zinc/31/26/02/598312602.db2.gz CFVSEAYVMCYQAF-CQSZACIVSA-N -1 3 385.427 3.730 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000735942812 598315911 /nfs/dbraw/zinc/31/59/11/598315911.db2.gz LZGASSVSSNSHLD-UHFFFAOYSA-N -1 3 391.454 3.605 20 0 GHADHM S=C(NCC1(c2ccccc2)CCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400791 598319683 /nfs/dbraw/zinc/31/96/83/598319683.db2.gz JNSABWRVHDZDHP-UHFFFAOYSA-N -1 3 398.923 3.928 20 0 GHADHM S=C(NCC1(c2ccccc2)CCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400791 598319685 /nfs/dbraw/zinc/31/96/85/598319685.db2.gz JNSABWRVHDZDHP-UHFFFAOYSA-N -1 3 398.923 3.928 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(C(C)C)n1 ZINC000735830107 598326724 /nfs/dbraw/zinc/32/67/24/598326724.db2.gz DIPYKIVBZZGZHQ-UHFFFAOYSA-N -1 3 384.509 3.745 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(C(C)C)n1 ZINC000735830107 598326727 /nfs/dbraw/zinc/32/67/27/598326727.db2.gz DIPYKIVBZZGZHQ-UHFFFAOYSA-N -1 3 384.509 3.745 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1ccc(F)cc1Cl ZINC000736167607 598331239 /nfs/dbraw/zinc/33/12/39/598331239.db2.gz FHGIPQSXZCSSKO-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM O=C(CSC1=Nc2ccccc2CS1)Nc1sccc1-c1nnn[n-]1 ZINC000737932190 598357963 /nfs/dbraw/zinc/35/79/63/598357963.db2.gz KQJOOFUXPKEFNL-UHFFFAOYSA-N -1 3 388.503 3.534 20 0 GHADHM O=C(CSC1=Nc2ccccc2CS1)Nc1sccc1-c1nn[n-]n1 ZINC000737932190 598357964 /nfs/dbraw/zinc/35/79/64/598357964.db2.gz KQJOOFUXPKEFNL-UHFFFAOYSA-N -1 3 388.503 3.534 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736391333 598358679 /nfs/dbraw/zinc/35/86/79/598358679.db2.gz MQSAJRVUELYVDA-MRXNPFEDSA-N -1 3 396.447 3.762 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736391333 598358681 /nfs/dbraw/zinc/35/86/81/598358681.db2.gz MQSAJRVUELYVDA-MRXNPFEDSA-N -1 3 396.447 3.762 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417074 607354072 /nfs/dbraw/zinc/35/40/72/607354072.db2.gz IJWKYSFBOGAHAD-CDXDBMBRSA-N -1 3 389.459 3.642 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417074 607354073 /nfs/dbraw/zinc/35/40/73/607354073.db2.gz IJWKYSFBOGAHAD-CDXDBMBRSA-N -1 3 389.459 3.642 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738410185 598359776 /nfs/dbraw/zinc/35/97/76/598359776.db2.gz WCPHXFWYYGKJMP-INIZCTEOSA-N -1 3 378.505 3.518 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738410185 598359777 /nfs/dbraw/zinc/35/97/77/598359777.db2.gz WCPHXFWYYGKJMP-INIZCTEOSA-N -1 3 378.505 3.518 20 0 GHADHM C[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096140 598379255 /nfs/dbraw/zinc/37/92/55/598379255.db2.gz AJWXTCPBCBCVJE-MGPUTAFESA-N -1 3 391.475 3.744 20 0 GHADHM C[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096140 598379257 /nfs/dbraw/zinc/37/92/57/598379257.db2.gz AJWXTCPBCBCVJE-MGPUTAFESA-N -1 3 391.475 3.744 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Br ZINC000736137198 598387481 /nfs/dbraw/zinc/38/74/81/598387481.db2.gz KRLOZIPOTXUHLU-QMMMGPOBSA-N -1 3 379.649 3.851 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Br ZINC000736137198 598387483 /nfs/dbraw/zinc/38/74/83/598387483.db2.gz KRLOZIPOTXUHLU-QMMMGPOBSA-N -1 3 379.649 3.851 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735873574 598392207 /nfs/dbraw/zinc/39/22/07/598392207.db2.gz CJPZWBOUIQMTGS-IBGZPJMESA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000735873574 598392209 /nfs/dbraw/zinc/39/22/09/598392209.db2.gz CJPZWBOUIQMTGS-IBGZPJMESA-N -1 3 394.454 3.613 20 0 GHADHM COc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c(C(F)(F)F)c1 ZINC000737095680 598393761 /nfs/dbraw/zinc/39/37/61/598393761.db2.gz NIGINJTWPMABGP-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM COc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c(C(F)(F)F)c1 ZINC000737095680 598393762 /nfs/dbraw/zinc/39/37/62/598393762.db2.gz NIGINJTWPMABGP-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736306611 598393775 /nfs/dbraw/zinc/39/37/75/598393775.db2.gz YDVZQJXMYUEFKJ-NSHDSACASA-N -1 3 384.896 3.836 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736306611 598393777 /nfs/dbraw/zinc/39/37/77/598393777.db2.gz YDVZQJXMYUEFKJ-NSHDSACASA-N -1 3 384.896 3.836 20 0 GHADHM COc1cccc([C@H]2C[C@@H]2C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125289 598396089 /nfs/dbraw/zinc/39/60/89/598396089.db2.gz AIUFFVXIVLWKOR-UXHICEINSA-N -1 3 391.475 3.668 20 0 GHADHM COc1cccc([C@H]2C[C@@H]2C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125289 598396091 /nfs/dbraw/zinc/39/60/91/598396091.db2.gz AIUFFVXIVLWKOR-UXHICEINSA-N -1 3 391.475 3.668 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000736397423 598400074 /nfs/dbraw/zinc/40/00/74/598400074.db2.gz UDDZUMROKVGIQR-OAHLLOKOSA-N -1 3 391.460 3.512 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000736397423 598400075 /nfs/dbraw/zinc/40/00/75/598400075.db2.gz UDDZUMROKVGIQR-OAHLLOKOSA-N -1 3 391.460 3.512 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000737287076 598418656 /nfs/dbraw/zinc/41/86/56/598418656.db2.gz BOSXGYWUNYOVOO-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000737287076 598418657 /nfs/dbraw/zinc/41/86/57/598418657.db2.gz BOSXGYWUNYOVOO-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCOc2cc(C)cc(C)c2C)s1 ZINC000736679018 598420765 /nfs/dbraw/zinc/42/07/65/598420765.db2.gz IXKIEGBYYKNWMW-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCOc2cc(C)cc(C)c2C)s1 ZINC000736679018 598420766 /nfs/dbraw/zinc/42/07/66/598420766.db2.gz IXKIEGBYYKNWMW-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2c1cccc2F ZINC000735875580 598428965 /nfs/dbraw/zinc/42/89/65/598428965.db2.gz WFPBAKLRKUYOBZ-IBGZPJMESA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2c1cccc2F ZINC000735875580 598428966 /nfs/dbraw/zinc/42/89/66/598428966.db2.gz WFPBAKLRKUYOBZ-IBGZPJMESA-N -1 3 394.454 3.613 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730599 598451394 /nfs/dbraw/zinc/45/13/94/598451394.db2.gz BCSQHUVHJXYSSG-MSOLQXFVSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730599 598451397 /nfs/dbraw/zinc/45/13/97/598451397.db2.gz BCSQHUVHJXYSSG-MSOLQXFVSA-N -1 3 387.418 3.926 20 0 GHADHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n(C(C)(C)C)n1 ZINC000735648160 598452971 /nfs/dbraw/zinc/45/29/71/598452971.db2.gz NZPZMFLEXJVJRM-QXMHVHEDSA-N -1 3 393.495 3.768 20 0 GHADHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n(C(C)(C)C)n1 ZINC000735648160 598452973 /nfs/dbraw/zinc/45/29/73/598452973.db2.gz NZPZMFLEXJVJRM-QXMHVHEDSA-N -1 3 393.495 3.768 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737425585 598480024 /nfs/dbraw/zinc/48/00/24/598480024.db2.gz AZEDSETZHLBSKG-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccccc1CN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737425585 598480026 /nfs/dbraw/zinc/48/00/26/598480026.db2.gz AZEDSETZHLBSKG-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737153110 598488861 /nfs/dbraw/zinc/48/88/61/598488861.db2.gz QCWHHDSMGDQIRG-AWEZNQCLSA-N -1 3 396.495 3.639 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737153110 598488862 /nfs/dbraw/zinc/48/88/62/598488862.db2.gz QCWHHDSMGDQIRG-AWEZNQCLSA-N -1 3 396.495 3.639 20 0 GHADHM C[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156062 598488977 /nfs/dbraw/zinc/48/89/77/598488977.db2.gz SYUOFFOTEGOISQ-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156062 598488979 /nfs/dbraw/zinc/48/89/79/598488979.db2.gz SYUOFFOTEGOISQ-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000735660222 598489301 /nfs/dbraw/zinc/48/93/01/598489301.db2.gz JXQJFWQGBIJVPT-UHFFFAOYSA-N -1 3 397.870 3.739 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000735660222 598489303 /nfs/dbraw/zinc/48/93/03/598489303.db2.gz JXQJFWQGBIJVPT-UHFFFAOYSA-N -1 3 397.870 3.739 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000735656501 598489306 /nfs/dbraw/zinc/48/93/06/598489306.db2.gz XWQLWNLWJXLQCU-UHFFFAOYSA-N -1 3 394.813 3.807 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000735656501 598489308 /nfs/dbraw/zinc/48/93/08/598489308.db2.gz XWQLWNLWJXLQCU-UHFFFAOYSA-N -1 3 394.813 3.807 20 0 GHADHM CCC(CC)(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736334318 598498393 /nfs/dbraw/zinc/49/83/93/598498393.db2.gz FVXZAQZKHXOYEO-UHFFFAOYSA-N -1 3 383.883 3.894 20 0 GHADHM CCC(CC)(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736334318 598498395 /nfs/dbraw/zinc/49/83/95/598498395.db2.gz FVXZAQZKHXOYEO-UHFFFAOYSA-N -1 3 383.883 3.894 20 0 GHADHM COCCc1ccc(Oc2ccc(Nc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737012841 598504085 /nfs/dbraw/zinc/50/40/85/598504085.db2.gz BRTAJHONYXIYHL-UHFFFAOYSA-N -1 3 388.431 3.987 20 0 GHADHM COCCc1ccc(Oc2ccc(Nc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737012841 598504086 /nfs/dbraw/zinc/50/40/86/598504086.db2.gz BRTAJHONYXIYHL-UHFFFAOYSA-N -1 3 388.431 3.987 20 0 GHADHM CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736452586 598506618 /nfs/dbraw/zinc/50/66/18/598506618.db2.gz YTHWCZZOROEUPX-INIZCTEOSA-N -1 3 399.520 3.560 20 0 GHADHM CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736452586 598506620 /nfs/dbraw/zinc/50/66/20/598506620.db2.gz YTHWCZZOROEUPX-INIZCTEOSA-N -1 3 399.520 3.560 20 0 GHADHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738157895 598511763 /nfs/dbraw/zinc/51/17/63/598511763.db2.gz CJXCDWYCFWTMSR-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738157895 598511764 /nfs/dbraw/zinc/51/17/64/598511764.db2.gz CJXCDWYCFWTMSR-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111703 598514843 /nfs/dbraw/zinc/51/48/43/598514843.db2.gz JFHLVVDXRZDQPV-KGLIPLIRSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738111703 598514844 /nfs/dbraw/zinc/51/48/44/598514844.db2.gz JFHLVVDXRZDQPV-KGLIPLIRSA-N -1 3 388.258 3.593 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2OC)c1-c1nnn[n-]1 ZINC000736674192 598515841 /nfs/dbraw/zinc/51/58/41/598515841.db2.gz ALZDNXUJGBEHDC-UHFFFAOYSA-N -1 3 377.857 3.713 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2OC)c1-c1nn[n-]n1 ZINC000736674192 598515843 /nfs/dbraw/zinc/51/58/43/598515843.db2.gz ALZDNXUJGBEHDC-UHFFFAOYSA-N -1 3 377.857 3.713 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(OC2CCCC2)c1 ZINC000738207970 598533872 /nfs/dbraw/zinc/53/38/72/598533872.db2.gz JRFLYSCIMZTPLN-UHFFFAOYSA-N -1 3 395.488 3.991 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(OC2CCCC2)c1 ZINC000738207970 598533875 /nfs/dbraw/zinc/53/38/75/598533875.db2.gz JRFLYSCIMZTPLN-UHFFFAOYSA-N -1 3 395.488 3.991 20 0 GHADHM Cc1ccc(CN(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737343235 598537894 /nfs/dbraw/zinc/53/78/94/598537894.db2.gz XVXGZPBMQQSZPY-UHFFFAOYSA-N -1 3 378.914 3.719 20 0 GHADHM Cc1ccc(CN(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737343235 598537896 /nfs/dbraw/zinc/53/78/96/598537896.db2.gz XVXGZPBMQQSZPY-UHFFFAOYSA-N -1 3 378.914 3.719 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1C ZINC000737400281 598538237 /nfs/dbraw/zinc/53/82/37/598538237.db2.gz SGVOHXAXUQMRDA-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(OC[C@@H]1CC=CCC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738217976 598539497 /nfs/dbraw/zinc/53/94/97/598539497.db2.gz BRJICTNYFWGMSL-CQSZACIVSA-N -1 3 380.404 3.552 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736401483 598540077 /nfs/dbraw/zinc/54/00/77/598540077.db2.gz XTNLBMQOMKJDQZ-KDOFPFPSSA-N -1 3 395.463 3.737 20 0 GHADHM Cc1cccc(CC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737392121 598543013 /nfs/dbraw/zinc/54/30/13/598543013.db2.gz ORSFQEFWJWYVRJ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(CC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737392121 598543014 /nfs/dbraw/zinc/54/30/14/598543014.db2.gz ORSFQEFWJWYVRJ-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110632 598543170 /nfs/dbraw/zinc/54/31/70/598543170.db2.gz IOKWABMQOLAIAV-JKSUJKDBSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110632 598543171 /nfs/dbraw/zinc/54/31/71/598543171.db2.gz IOKWABMQOLAIAV-JKSUJKDBSA-N -1 3 390.491 3.938 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737488919 598545063 /nfs/dbraw/zinc/54/50/63/598545063.db2.gz AULMYTUXVVKJLD-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737488919 598545065 /nfs/dbraw/zinc/54/50/65/598545065.db2.gz AULMYTUXVVKJLD-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cc(Cl)c[nH]1 ZINC000738171742 598557352 /nfs/dbraw/zinc/55/73/52/598557352.db2.gz KGVQODAYLATJFE-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc(Cl)c[nH]1 ZINC000738171742 598557353 /nfs/dbraw/zinc/55/73/53/598557353.db2.gz KGVQODAYLATJFE-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1n[nH]c2ccccc21 ZINC000738173857 598557791 /nfs/dbraw/zinc/55/77/91/598557791.db2.gz ULGBGIPRYGPARO-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1n[nH]c2ccccc21 ZINC000738173857 598557792 /nfs/dbraw/zinc/55/77/92/598557792.db2.gz ULGBGIPRYGPARO-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736365475 598558720 /nfs/dbraw/zinc/55/87/20/598558720.db2.gz WFFONMKSQOAADE-CYBMUJFWSA-N -1 3 388.378 3.741 20 0 GHADHM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736365475 598558721 /nfs/dbraw/zinc/55/87/21/598558721.db2.gz WFFONMKSQOAADE-CYBMUJFWSA-N -1 3 388.378 3.741 20 0 GHADHM CC(C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000735671728 598559625 /nfs/dbraw/zinc/55/96/25/598559625.db2.gz DBBPVQJAZHDELU-UHFFFAOYSA-N -1 3 388.378 3.525 20 0 GHADHM CC(C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000735671728 598559627 /nfs/dbraw/zinc/55/96/27/598559627.db2.gz DBBPVQJAZHDELU-UHFFFAOYSA-N -1 3 388.378 3.525 20 0 GHADHM FC(F)(F)c1cc(N2CCc3[nH]c4ccccc4c3C2)ccc1-c1nnn[n-]1 ZINC000737633400 598572110 /nfs/dbraw/zinc/57/21/10/598572110.db2.gz QXCSOCJELCSAJX-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1cc(N2CCc3[nH]c4ccccc4c3C2)ccc1-c1nn[n-]n1 ZINC000737633400 598572111 /nfs/dbraw/zinc/57/21/11/598572111.db2.gz QXCSOCJELCSAJX-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCC(=O)c2ccc(C)c(C)c2)s1 ZINC000736679647 598578413 /nfs/dbraw/zinc/57/84/13/598578413.db2.gz YIIHAXFZVMZBNO-UHFFFAOYSA-N -1 3 383.477 3.709 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCC(=O)c2ccc(C)c(C)c2)s1 ZINC000736679647 598578414 /nfs/dbraw/zinc/57/84/14/598578414.db2.gz YIIHAXFZVMZBNO-UHFFFAOYSA-N -1 3 383.477 3.709 20 0 GHADHM O=C(CNc1ccccc1SC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737901735 598582811 /nfs/dbraw/zinc/58/28/11/598582811.db2.gz XRWQBDQSWHMVIP-UHFFFAOYSA-N -1 3 394.382 3.529 20 0 GHADHM O=C(CNc1ccccc1SC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737901735 598582813 /nfs/dbraw/zinc/58/28/13/598582813.db2.gz XRWQBDQSWHMVIP-UHFFFAOYSA-N -1 3 394.382 3.529 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3sc(C)c(C)c3-c3nnn[n-]3)c[nH]c21 ZINC000736694740 598586191 /nfs/dbraw/zinc/58/61/91/598586191.db2.gz BDKBEAMYSUEYCD-UHFFFAOYSA-N -1 3 380.477 3.770 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3sc(C)c(C)c3-c3nn[n-]n3)c[nH]c21 ZINC000736694740 598586193 /nfs/dbraw/zinc/58/61/93/598586193.db2.gz BDKBEAMYSUEYCD-UHFFFAOYSA-N -1 3 380.477 3.770 20 0 GHADHM Cc1ccc(F)c2c1CCCN2C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737344950 598587066 /nfs/dbraw/zinc/58/70/66/598587066.db2.gz MMVWYRGJOBFCEF-UHFFFAOYSA-N -1 3 397.479 3.527 20 0 GHADHM Cc1ccc(F)c2c1CCCN2C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737344950 598587067 /nfs/dbraw/zinc/58/70/67/598587067.db2.gz MMVWYRGJOBFCEF-UHFFFAOYSA-N -1 3 397.479 3.527 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cs2)cc1 ZINC000737290322 598589414 /nfs/dbraw/zinc/58/94/14/598589414.db2.gz ZWRACJWXDOCOTG-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cs2)cc1 ZINC000737290322 598589415 /nfs/dbraw/zinc/58/94/15/598589415.db2.gz ZWRACJWXDOCOTG-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM CC/C=C(/C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736408673 598592161 /nfs/dbraw/zinc/59/21/61/598592161.db2.gz GGXWDYGXFGELFK-ACAGNQJTSA-N -1 3 381.411 3.880 20 0 GHADHM CC/C=C(/C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736408673 598592162 /nfs/dbraw/zinc/59/21/62/598592162.db2.gz GGXWDYGXFGELFK-ACAGNQJTSA-N -1 3 381.411 3.880 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)o1 ZINC000737315318 598593986 /nfs/dbraw/zinc/59/39/86/598593986.db2.gz MTGMUOIFRGHVBC-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)o1 ZINC000737315318 598593988 /nfs/dbraw/zinc/59/39/88/598593988.db2.gz MTGMUOIFRGHVBC-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737331680 598628165 /nfs/dbraw/zinc/62/81/65/598628165.db2.gz QPCUJQGEWKXBAI-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737331680 598628167 /nfs/dbraw/zinc/62/81/67/598628167.db2.gz QPCUJQGEWKXBAI-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM O=C(NCCSc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738085395 598633246 /nfs/dbraw/zinc/63/32/46/598633246.db2.gz HPINXBMHRKILCA-UHFFFAOYSA-N -1 3 392.847 3.573 20 0 GHADHM O=C(NCCSc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738085395 598633247 /nfs/dbraw/zinc/63/32/47/598633247.db2.gz HPINXBMHRKILCA-UHFFFAOYSA-N -1 3 392.847 3.573 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737309271 598634767 /nfs/dbraw/zinc/63/47/67/598634767.db2.gz RYWLYWMTRKEMCF-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737309271 598634769 /nfs/dbraw/zinc/63/47/69/598634769.db2.gz RYWLYWMTRKEMCF-UHFFFAOYSA-N -1 3 381.867 3.928 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735952938 598642857 /nfs/dbraw/zinc/64/28/57/598642857.db2.gz CORRXMQJKQRMDL-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CC(C)n1c(=O)c2ccccc2nc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735952938 598642858 /nfs/dbraw/zinc/64/28/58/598642858.db2.gz CORRXMQJKQRMDL-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM S=C(NC[C@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400220 598644546 /nfs/dbraw/zinc/64/45/46/598644546.db2.gz AXOHHQIFDVNIMF-GFCCVEGCSA-N -1 3 384.896 3.537 20 0 GHADHM S=C(NC[C@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400220 598644548 /nfs/dbraw/zinc/64/45/48/598644548.db2.gz AXOHHQIFDVNIMF-GFCCVEGCSA-N -1 3 384.896 3.537 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737251009 598644696 /nfs/dbraw/zinc/64/46/96/598644696.db2.gz RNNUIBPWZVELAJ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737251009 598644698 /nfs/dbraw/zinc/64/46/98/598644698.db2.gz RNNUIBPWZVELAJ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735670647 598645585 /nfs/dbraw/zinc/64/55/85/598645585.db2.gz GBGSWJUJKOVJMR-UHFFFAOYSA-N -1 3 386.912 3.828 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735670647 598645587 /nfs/dbraw/zinc/64/55/87/598645587.db2.gz GBGSWJUJKOVJMR-UHFFFAOYSA-N -1 3 386.912 3.828 20 0 GHADHM CCCCc1nc(-c2ccc(OCc3ccc(F)cc3-c3nnn[n-]3)cc2)no1 ZINC000736467149 598645734 /nfs/dbraw/zinc/64/57/34/598645734.db2.gz WADKWENYDPNZOT-UHFFFAOYSA-N -1 3 394.410 3.977 20 0 GHADHM CCCCc1nc(-c2ccc(OCc3ccc(F)cc3-c3nn[n-]n3)cc2)no1 ZINC000736467149 598645735 /nfs/dbraw/zinc/64/57/35/598645735.db2.gz WADKWENYDPNZOT-UHFFFAOYSA-N -1 3 394.410 3.977 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736103070 598646012 /nfs/dbraw/zinc/64/60/12/598646012.db2.gz VXWGCTMAHJDDON-AWEZNQCLSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736103070 598646014 /nfs/dbraw/zinc/64/60/14/598646014.db2.gz VXWGCTMAHJDDON-AWEZNQCLSA-N -1 3 399.882 3.947 20 0 GHADHM Cc1ccc(Cl)c(NC(=S)NCc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000737343665 598646042 /nfs/dbraw/zinc/64/60/42/598646042.db2.gz SAESQKAKHQXJNS-UHFFFAOYSA-N -1 3 393.303 3.969 20 0 GHADHM Cc1ccc(Cl)c(NC(=S)NCc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000737343665 598646043 /nfs/dbraw/zinc/64/60/43/598646043.db2.gz SAESQKAKHQXJNS-UHFFFAOYSA-N -1 3 393.303 3.969 20 0 GHADHM Cc1ncc(-c2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000737490690 598650954 /nfs/dbraw/zinc/65/09/54/598650954.db2.gz VTYFZDUKKNYYNN-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM Cc1ncc(-c2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000737490690 598650956 /nfs/dbraw/zinc/65/09/56/598650956.db2.gz VTYFZDUKKNYYNN-UHFFFAOYSA-N -1 3 392.444 3.561 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735828008 598651147 /nfs/dbraw/zinc/65/11/47/598651147.db2.gz XNTJVTZRUVEGOM-UHFFFAOYSA-N -1 3 394.479 3.808 20 0 GHADHM CC(C)CN(CC(C)C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735828008 598651148 /nfs/dbraw/zinc/65/11/48/598651148.db2.gz XNTJVTZRUVEGOM-UHFFFAOYSA-N -1 3 394.479 3.808 20 0 GHADHM CCN(C(=O)c1cccnc1OCC(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507508 598651853 /nfs/dbraw/zinc/65/18/53/598651853.db2.gz DRMGXOMEIPMFDS-HNNXBMFYSA-N -1 3 394.479 3.520 20 0 GHADHM CCN(C(=O)c1cccnc1OCC(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507508 598651854 /nfs/dbraw/zinc/65/18/54/598651854.db2.gz DRMGXOMEIPMFDS-HNNXBMFYSA-N -1 3 394.479 3.520 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1ccccc1OC ZINC000736479935 598652199 /nfs/dbraw/zinc/65/21/99/598652199.db2.gz MWPICYVQMOLRDR-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1ccccc1OC ZINC000736479935 598652201 /nfs/dbraw/zinc/65/22/01/598652201.db2.gz MWPICYVQMOLRDR-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735913746 598653548 /nfs/dbraw/zinc/65/35/48/598653548.db2.gz PRMOZNODPDEKCS-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735913746 598653549 /nfs/dbraw/zinc/65/35/49/598653549.db2.gz PRMOZNODPDEKCS-CQSZACIVSA-N -1 3 397.504 3.623 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(F)c1 ZINC000737833453 598654176 /nfs/dbraw/zinc/65/41/76/598654176.db2.gz RYHREUVVUQKTFO-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(F)c1 ZINC000737833453 598654177 /nfs/dbraw/zinc/65/41/77/598654177.db2.gz RYHREUVVUQKTFO-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274357 598654371 /nfs/dbraw/zinc/65/43/71/598654371.db2.gz UNENMLKZXDTSAO-GOEBONIOSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274357 598654373 /nfs/dbraw/zinc/65/43/73/598654373.db2.gz UNENMLKZXDTSAO-GOEBONIOSA-N -1 3 392.463 3.610 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC(C2CCCCC2)CC1 ZINC000737944265 598654462 /nfs/dbraw/zinc/65/44/62/598654462.db2.gz ZQHXXKVOLUADCG-UHFFFAOYSA-N -1 3 385.537 3.778 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC(C2CCCCC2)CC1 ZINC000737944265 598654464 /nfs/dbraw/zinc/65/44/64/598654464.db2.gz ZQHXXKVOLUADCG-UHFFFAOYSA-N -1 3 385.537 3.778 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736739049 598655257 /nfs/dbraw/zinc/65/52/57/598655257.db2.gz HUAMBSGVQRETNO-UHFFFAOYSA-N -1 3 381.505 3.919 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736739049 598655259 /nfs/dbraw/zinc/65/52/59/598655259.db2.gz HUAMBSGVQRETNO-UHFFFAOYSA-N -1 3 381.505 3.919 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737943657 598659348 /nfs/dbraw/zinc/65/93/48/598659348.db2.gz TWKYFXOHOPQOKW-GOSISDBHSA-N -1 3 393.516 3.583 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737943657 598659350 /nfs/dbraw/zinc/65/93/50/598659350.db2.gz TWKYFXOHOPQOKW-GOSISDBHSA-N -1 3 393.516 3.583 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)c3ccccc3n2)o1 ZINC000737287554 598660396 /nfs/dbraw/zinc/66/03/96/598660396.db2.gz IVNAWZZDRVYNRT-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c3ccccc3n2)o1 ZINC000737287554 598660397 /nfs/dbraw/zinc/66/03/97/598660397.db2.gz IVNAWZZDRVYNRT-UHFFFAOYSA-N -1 3 397.398 3.631 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737795616 598669819 /nfs/dbraw/zinc/66/98/19/598669819.db2.gz BBMZRGJNHOCBQO-BSDKJSHOSA-N -1 3 379.851 3.549 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737795616 598669821 /nfs/dbraw/zinc/66/98/21/598669821.db2.gz BBMZRGJNHOCBQO-BSDKJSHOSA-N -1 3 379.851 3.549 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)ccn1 ZINC000735761896 598674819 /nfs/dbraw/zinc/67/48/19/598674819.db2.gz RFZZWCPTZNHCNE-CQSZACIVSA-N -1 3 393.495 3.571 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)ccn1 ZINC000735761896 598674822 /nfs/dbraw/zinc/67/48/22/598674822.db2.gz RFZZWCPTZNHCNE-CQSZACIVSA-N -1 3 393.495 3.571 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000736191905 598696013 /nfs/dbraw/zinc/69/60/13/598696013.db2.gz XSHKRBVIQBHZPV-NEULZYRMSA-N -1 3 391.516 3.568 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000736191905 598696014 /nfs/dbraw/zinc/69/60/14/598696014.db2.gz XSHKRBVIQBHZPV-NEULZYRMSA-N -1 3 391.516 3.568 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737388748 598696928 /nfs/dbraw/zinc/69/69/28/598696928.db2.gz FDXWHQCPVUBSJG-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737388748 598696930 /nfs/dbraw/zinc/69/69/30/598696930.db2.gz FDXWHQCPVUBSJG-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736328922 598704482 /nfs/dbraw/zinc/70/44/82/598704482.db2.gz RNCJZNCOKOIRMQ-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736328922 598704484 /nfs/dbraw/zinc/70/44/84/598704484.db2.gz RNCJZNCOKOIRMQ-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cnc(-c2ccccc2F)s1 ZINC000738236395 598710481 /nfs/dbraw/zinc/71/04/81/598710481.db2.gz XSGLNFJQOZFWCR-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cnc(-c2ccccc2F)s1 ZINC000738236395 598710483 /nfs/dbraw/zinc/71/04/83/598710483.db2.gz XSGLNFJQOZFWCR-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737810691 598712820 /nfs/dbraw/zinc/71/28/20/598712820.db2.gz ZCEQRRIRUMSSRD-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737810691 598712822 /nfs/dbraw/zinc/71/28/22/598712822.db2.gz ZCEQRRIRUMSSRD-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737117340 598716964 /nfs/dbraw/zinc/71/69/64/598716964.db2.gz ZYZVGFVUCYICRG-UHFFFAOYSA-N -1 3 398.854 3.509 20 0 GHADHM COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737117340 598716966 /nfs/dbraw/zinc/71/69/66/598716966.db2.gz ZYZVGFVUCYICRG-UHFFFAOYSA-N -1 3 398.854 3.509 20 0 GHADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737139497 598717210 /nfs/dbraw/zinc/71/72/10/598717210.db2.gz XCXYEKLNEBXJTG-UHFFFAOYSA-N -1 3 386.843 3.586 20 0 GHADHM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737139497 598717212 /nfs/dbraw/zinc/71/72/12/598717212.db2.gz XCXYEKLNEBXJTG-UHFFFAOYSA-N -1 3 386.843 3.586 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736048367 598724497 /nfs/dbraw/zinc/72/44/97/598724497.db2.gz VUBQOSUCOWCMGS-CQSZACIVSA-N -1 3 393.472 3.591 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736048367 598724499 /nfs/dbraw/zinc/72/44/99/598724499.db2.gz VUBQOSUCOWCMGS-CQSZACIVSA-N -1 3 393.472 3.591 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OC/C=C/c1ccccc1 ZINC000737841543 598726481 /nfs/dbraw/zinc/72/64/81/598726481.db2.gz LOCWVMAHLYLUOG-JXMROGBWSA-N -1 3 378.432 3.672 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OC/C=C/c1ccccc1 ZINC000737841543 598726482 /nfs/dbraw/zinc/72/64/82/598726482.db2.gz LOCWVMAHLYLUOG-JXMROGBWSA-N -1 3 378.432 3.672 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000737291398 598729940 /nfs/dbraw/zinc/72/99/40/598729940.db2.gz KQKSQGSRGSUJRF-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000737291398 598729943 /nfs/dbraw/zinc/72/99/43/598729943.db2.gz KQKSQGSRGSUJRF-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM CC[C@@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736332775 598734352 /nfs/dbraw/zinc/73/43/52/598734352.db2.gz OBJAQZCLVPESOS-INIZCTEOSA-N -1 3 395.532 3.800 20 0 GHADHM CC[C@@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736332775 598734354 /nfs/dbraw/zinc/73/43/54/598734354.db2.gz OBJAQZCLVPESOS-INIZCTEOSA-N -1 3 395.532 3.800 20 0 GHADHM CC(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)(c1ccccc1)c1ccccc1 ZINC000736099814 598748150 /nfs/dbraw/zinc/74/81/50/598748150.db2.gz IGAHSMJAYVYXLQ-MSUUIHNZSA-N -1 3 395.466 3.960 20 0 GHADHM CC(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)(c1ccccc1)c1ccccc1 ZINC000736099814 598748151 /nfs/dbraw/zinc/74/81/51/598748151.db2.gz IGAHSMJAYVYXLQ-MSUUIHNZSA-N -1 3 395.466 3.960 20 0 GHADHM CC(NC(=O)c1sccc1-c1nnn[n-]1)(c1ccccc1)c1ccccc1 ZINC000736127610 598748153 /nfs/dbraw/zinc/74/81/53/598748153.db2.gz SEEJXJNCVBARCD-UHFFFAOYSA-N -1 3 375.457 3.622 20 0 GHADHM CC(NC(=O)c1sccc1-c1nn[n-]n1)(c1ccccc1)c1ccccc1 ZINC000736127610 598748154 /nfs/dbraw/zinc/74/81/54/598748154.db2.gz SEEJXJNCVBARCD-UHFFFAOYSA-N -1 3 375.457 3.622 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000738149765 598754298 /nfs/dbraw/zinc/75/42/98/598754298.db2.gz GXOCHHUQPCVXJF-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000738149765 598754299 /nfs/dbraw/zinc/75/42/99/598754299.db2.gz GXOCHHUQPCVXJF-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM COCCSc1ccc([C@@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000737013804 598755654 /nfs/dbraw/zinc/75/56/54/598755654.db2.gz LOVODMFHUAXRNT-CYBMUJFWSA-N -1 3 396.520 3.662 20 0 GHADHM COCCSc1ccc([C@@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000737013804 598755655 /nfs/dbraw/zinc/75/56/55/598755655.db2.gz LOVODMFHUAXRNT-CYBMUJFWSA-N -1 3 396.520 3.662 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737415125 598764731 /nfs/dbraw/zinc/76/47/31/598764731.db2.gz JNYVAICJVIDOPW-NRFANRHFSA-N -1 3 377.492 3.963 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737415125 598764733 /nfs/dbraw/zinc/76/47/33/598764733.db2.gz JNYVAICJVIDOPW-NRFANRHFSA-N -1 3 377.492 3.963 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCS1 ZINC000736280890 598781872 /nfs/dbraw/zinc/78/18/72/598781872.db2.gz QBKJACIHNUPBTR-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCS1 ZINC000736280890 598781873 /nfs/dbraw/zinc/78/18/73/598781873.db2.gz QBKJACIHNUPBTR-CYBMUJFWSA-N -1 3 396.476 3.628 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000736637176 598782738 /nfs/dbraw/zinc/78/27/38/598782738.db2.gz PQNLPJPDGRLSSZ-LJQANCHMSA-N -1 3 392.463 3.847 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000736637176 598782739 /nfs/dbraw/zinc/78/27/39/598782739.db2.gz PQNLPJPDGRLSSZ-LJQANCHMSA-N -1 3 392.463 3.847 20 0 GHADHM O=C(OCc1cc(Br)ccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738235799 598800803 /nfs/dbraw/zinc/80/08/03/598800803.db2.gz AEDLKBJQKMELQA-UHFFFAOYSA-N -1 3 399.657 3.701 20 0 GHADHM CC[C@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C)C ZINC000736333409 598817079 /nfs/dbraw/zinc/81/70/79/598817079.db2.gz PWQCMTRSHMFHJR-CQSZACIVSA-N -1 3 384.509 3.925 20 0 GHADHM CC[C@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C)C ZINC000736333409 598817081 /nfs/dbraw/zinc/81/70/81/598817081.db2.gz PWQCMTRSHMFHJR-CQSZACIVSA-N -1 3 384.509 3.925 20 0 GHADHM CC(C)C1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820037618 599293788 /nfs/dbraw/zinc/29/37/88/599293788.db2.gz FYORUZOYMHAOJY-UHFFFAOYSA-N -1 3 382.390 3.785 20 0 GHADHM CC(C)C1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820037618 599293790 /nfs/dbraw/zinc/29/37/90/599293790.db2.gz FYORUZOYMHAOJY-UHFFFAOYSA-N -1 3 382.390 3.785 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cc(-c3nnn[n-]3)ccc2OC)cs1 ZINC000821345940 607367754 /nfs/dbraw/zinc/36/77/54/607367754.db2.gz AYQBNGRXWGVYPG-NSHDSACASA-N -1 3 391.522 3.863 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2cc(-c3nn[n-]n3)ccc2OC)cs1 ZINC000821345940 607367757 /nfs/dbraw/zinc/36/77/57/607367757.db2.gz AYQBNGRXWGVYPG-NSHDSACASA-N -1 3 391.522 3.863 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735596598 599304513 /nfs/dbraw/zinc/30/45/13/599304513.db2.gz KPCDRSXEOFHVCM-MFKMUULPSA-N -1 3 384.406 3.534 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735596598 599304515 /nfs/dbraw/zinc/30/45/15/599304515.db2.gz KPCDRSXEOFHVCM-MFKMUULPSA-N -1 3 384.406 3.534 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503670 599313506 /nfs/dbraw/zinc/31/35/06/599313506.db2.gz ZOBAZVZQNUNVTI-OAHLLOKOSA-N -1 3 393.491 3.985 20 0 GHADHM CCN(C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503670 599313509 /nfs/dbraw/zinc/31/35/09/599313509.db2.gz ZOBAZVZQNUNVTI-OAHLLOKOSA-N -1 3 393.491 3.985 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503669 599313877 /nfs/dbraw/zinc/31/38/77/599313877.db2.gz ZOBAZVZQNUNVTI-HNNXBMFYSA-N -1 3 393.491 3.985 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503669 599313880 /nfs/dbraw/zinc/31/38/80/599313880.db2.gz ZOBAZVZQNUNVTI-HNNXBMFYSA-N -1 3 393.491 3.985 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000735953459 599323148 /nfs/dbraw/zinc/32/31/48/599323148.db2.gz UZWYDZRCGWWPSL-LBPRGKRZSA-N -1 3 376.424 3.608 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735953459 599323151 /nfs/dbraw/zinc/32/31/51/599323151.db2.gz UZWYDZRCGWWPSL-LBPRGKRZSA-N -1 3 376.424 3.608 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000735953457 599323258 /nfs/dbraw/zinc/32/32/58/599323258.db2.gz UZWYDZRCGWWPSL-GFCCVEGCSA-N -1 3 376.424 3.608 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735953457 599323260 /nfs/dbraw/zinc/32/32/60/599323260.db2.gz UZWYDZRCGWWPSL-GFCCVEGCSA-N -1 3 376.424 3.608 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc21 ZINC000736190475 599328952 /nfs/dbraw/zinc/32/89/52/599328952.db2.gz SIEXATWLDNOBPE-UONOGXRCSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc21 ZINC000736190475 599328955 /nfs/dbraw/zinc/32/89/55/599328955.db2.gz SIEXATWLDNOBPE-UONOGXRCSA-N -1 3 379.489 3.639 20 0 GHADHM Cc1ncc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)s1 ZINC000737492542 599330510 /nfs/dbraw/zinc/33/05/10/599330510.db2.gz UNXWACWPRYBMSH-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM Cc1ncc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)s1 ZINC000737492542 599330512 /nfs/dbraw/zinc/33/05/12/599330512.db2.gz UNXWACWPRYBMSH-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM COc1ccc(NC(=O)CCS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737100940 599330841 /nfs/dbraw/zinc/33/08/41/599330841.db2.gz ANWRAANJVSJRQW-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccc(NC(=O)CCS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737100940 599330843 /nfs/dbraw/zinc/33/08/43/599330843.db2.gz ANWRAANJVSJRQW-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(-n2cccn2)cc1 ZINC000820449991 599356513 /nfs/dbraw/zinc/35/65/13/599356513.db2.gz FSYUPGOQBQFJFU-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(-n2cccn2)cc1 ZINC000820449991 599356515 /nfs/dbraw/zinc/35/65/15/599356515.db2.gz FSYUPGOQBQFJFU-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM CCc1cccc2c1N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000736696138 599373908 /nfs/dbraw/zinc/37/39/08/599373908.db2.gz UZEAPBKJIBUHBN-UHFFFAOYSA-N -1 3 393.516 3.642 20 0 GHADHM CCc1cccc2c1N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000736696138 599373911 /nfs/dbraw/zinc/37/39/11/599373911.db2.gz UZEAPBKJIBUHBN-UHFFFAOYSA-N -1 3 393.516 3.642 20 0 GHADHM CCC[C@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OCC ZINC000821021360 599376133 /nfs/dbraw/zinc/37/61/33/599376133.db2.gz NKTCOVFQOLHUBP-SFHVURJKSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OCC ZINC000821021360 599376135 /nfs/dbraw/zinc/37/61/35/599376135.db2.gz NKTCOVFQOLHUBP-SFHVURJKSA-N -1 3 381.436 3.803 20 0 GHADHM C/C=C\c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(OC)c1 ZINC000820832850 599381602 /nfs/dbraw/zinc/38/16/02/599381602.db2.gz ORSGJLYIVJUPMS-HYXAFXHYSA-N -1 3 390.403 3.537 20 0 GHADHM C/C=C\c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(OC)c1 ZINC000820832850 599381605 /nfs/dbraw/zinc/38/16/05/599381605.db2.gz ORSGJLYIVJUPMS-HYXAFXHYSA-N -1 3 390.403 3.537 20 0 GHADHM CC(C)Oc1ccc(NCc2ncc(-c3cccs3)o2)cc1-c1nnn[n-]1 ZINC000820174674 607373164 /nfs/dbraw/zinc/37/31/64/607373164.db2.gz VQVGCQHQFRAZBJ-UHFFFAOYSA-N -1 3 382.449 3.983 20 0 GHADHM CC(C)Oc1ccc(NCc2ncc(-c3cccs3)o2)cc1-c1nn[n-]n1 ZINC000820174674 607373165 /nfs/dbraw/zinc/37/31/65/607373165.db2.gz VQVGCQHQFRAZBJ-UHFFFAOYSA-N -1 3 382.449 3.983 20 0 GHADHM COc1cc(CN(C)c2cc(-c3nnn[n-]3)c3ccccc3n2)ccc1SC ZINC000737045986 599420072 /nfs/dbraw/zinc/42/00/72/599420072.db2.gz XCDGNPICPVICEH-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM COc1cc(CN(C)c2cc(-c3nn[n-]n3)c3ccccc3n2)ccc1SC ZINC000737045986 599420073 /nfs/dbraw/zinc/42/00/73/599420073.db2.gz XCDGNPICPVICEH-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM Cc1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)cc1C ZINC000822201012 599432122 /nfs/dbraw/zinc/43/21/22/599432122.db2.gz MTSNTZVRTGNELN-UHFFFAOYSA-N -1 3 377.370 3.514 20 0 GHADHM CC1CCC(OC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)CC1 ZINC000736245702 599433673 /nfs/dbraw/zinc/43/36/73/599433673.db2.gz UZEXNALXBXBSDP-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM CC1CCC(OC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)CC1 ZINC000736245702 599433674 /nfs/dbraw/zinc/43/36/74/599433674.db2.gz UZEXNALXBXBSDP-UHFFFAOYSA-N -1 3 392.507 3.979 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358814 599436463 /nfs/dbraw/zinc/43/64/63/599436463.db2.gz OXWGXPBWXANCFN-BFUOFWGJSA-N -1 3 394.454 3.907 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358814 599436468 /nfs/dbraw/zinc/43/64/68/599436468.db2.gz OXWGXPBWXANCFN-BFUOFWGJSA-N -1 3 394.454 3.907 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737628416 599441661 /nfs/dbraw/zinc/44/16/61/599441661.db2.gz VLHFDHVMUFFLHL-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737628416 599441663 /nfs/dbraw/zinc/44/16/63/599441663.db2.gz VLHFDHVMUFFLHL-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736959760 599443372 /nfs/dbraw/zinc/44/33/72/599443372.db2.gz DHSJNRXSLUDNKN-LKFCYVNXSA-N -1 3 379.251 3.757 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736959760 599443375 /nfs/dbraw/zinc/44/33/75/599443375.db2.gz DHSJNRXSLUDNKN-LKFCYVNXSA-N -1 3 379.251 3.757 20 0 GHADHM O=C(CCc1cc(Cl)cs1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737854349 599466724 /nfs/dbraw/zinc/46/67/24/599466724.db2.gz YJNIVBZHMFIZGN-UHFFFAOYSA-N -1 3 379.898 3.703 20 0 GHADHM O=C(CCc1cc(Cl)cs1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737854349 599466726 /nfs/dbraw/zinc/46/67/26/599466726.db2.gz YJNIVBZHMFIZGN-UHFFFAOYSA-N -1 3 379.898 3.703 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351198 599474214 /nfs/dbraw/zinc/47/42/14/599474214.db2.gz MYNPTCXRLYXHDO-OPAMFIHVSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351198 599474217 /nfs/dbraw/zinc/47/42/17/599474217.db2.gz MYNPTCXRLYXHDO-OPAMFIHVSA-N -1 3 390.491 3.691 20 0 GHADHM CCO[C@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cs1 ZINC000736616763 599475448 /nfs/dbraw/zinc/47/54/48/599475448.db2.gz PQFWFLGHRHPICC-CQSZACIVSA-N -1 3 386.525 3.831 20 0 GHADHM CCO[C@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cs1 ZINC000736616763 599475450 /nfs/dbraw/zinc/47/54/50/599475450.db2.gz PQFWFLGHRHPICC-CQSZACIVSA-N -1 3 386.525 3.831 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820375140 599476600 /nfs/dbraw/zinc/47/66/00/599476600.db2.gz YKBUPGJTUZPYON-AWEZNQCLSA-N -1 3 394.479 3.604 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820375140 599476601 /nfs/dbraw/zinc/47/66/01/599476601.db2.gz YKBUPGJTUZPYON-AWEZNQCLSA-N -1 3 394.479 3.604 20 0 GHADHM C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340962 599482018 /nfs/dbraw/zinc/48/20/18/599482018.db2.gz OAZYEGSCMASTPG-RDTXWAMCSA-N -1 3 376.464 3.720 20 0 GHADHM C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340962 599482020 /nfs/dbraw/zinc/48/20/20/599482020.db2.gz OAZYEGSCMASTPG-RDTXWAMCSA-N -1 3 376.464 3.720 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822229550 599482179 /nfs/dbraw/zinc/48/21/79/599482179.db2.gz WVLWYSMZWFRNLK-HOTGVXAUSA-N -1 3 378.480 3.947 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822229550 599482181 /nfs/dbraw/zinc/48/21/81/599482181.db2.gz WVLWYSMZWFRNLK-HOTGVXAUSA-N -1 3 378.480 3.947 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356634 599482335 /nfs/dbraw/zinc/48/23/35/599482335.db2.gz WZSRILIENRIYES-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356634 599482336 /nfs/dbraw/zinc/48/23/36/599482336.db2.gz WZSRILIENRIYES-JXFKEZNVSA-N -1 3 390.491 3.653 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000736613767 599482633 /nfs/dbraw/zinc/48/26/33/599482633.db2.gz FVEITKJYCTWBBF-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000736613767 599482636 /nfs/dbraw/zinc/48/26/36/599482636.db2.gz FVEITKJYCTWBBF-JTQLQIEISA-N -1 3 379.486 3.993 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109236 599483891 /nfs/dbraw/zinc/48/38/91/599483891.db2.gz DKHONHWUZLQLNQ-AWEZNQCLSA-N -1 3 382.443 3.689 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109236 599483895 /nfs/dbraw/zinc/48/38/95/599483895.db2.gz DKHONHWUZLQLNQ-AWEZNQCLSA-N -1 3 382.443 3.689 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299243 599486823 /nfs/dbraw/zinc/48/68/23/599486823.db2.gz CFYTZSULWLYWCB-KXBFYZLASA-N -1 3 376.464 3.783 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299243 599486825 /nfs/dbraw/zinc/48/68/25/599486825.db2.gz CFYTZSULWLYWCB-KXBFYZLASA-N -1 3 376.464 3.783 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000737062318 599501897 /nfs/dbraw/zinc/50/18/97/599501897.db2.gz JATSWFPKKXDAFB-HNNXBMFYSA-N -1 3 382.424 3.618 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000737062318 599501900 /nfs/dbraw/zinc/50/19/00/599501900.db2.gz JATSWFPKKXDAFB-HNNXBMFYSA-N -1 3 382.424 3.618 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000822210832 599505574 /nfs/dbraw/zinc/50/55/74/599505574.db2.gz SMTCZAONBUTXJT-JKSUJKDBSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000822210832 599505577 /nfs/dbraw/zinc/50/55/77/599505577.db2.gz SMTCZAONBUTXJT-JKSUJKDBSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397024 599512245 /nfs/dbraw/zinc/51/22/45/599512245.db2.gz KMZUDNPVKSKSAS-JTQLQIEISA-N -1 3 375.404 3.672 20 0 GHADHM C[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397024 599512247 /nfs/dbraw/zinc/51/22/47/599512247.db2.gz KMZUDNPVKSKSAS-JTQLQIEISA-N -1 3 375.404 3.672 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820683573 599512621 /nfs/dbraw/zinc/51/26/21/599512621.db2.gz DBWLZFCMKYBWAQ-OHDICMOHSA-N -1 3 385.512 3.521 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820683573 599512622 /nfs/dbraw/zinc/51/26/22/599512622.db2.gz DBWLZFCMKYBWAQ-OHDICMOHSA-N -1 3 385.512 3.521 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875810 599512694 /nfs/dbraw/zinc/51/26/94/599512694.db2.gz GHUCAQCQISNREN-YYZTVXDQSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875810 599512696 /nfs/dbraw/zinc/51/26/96/599512696.db2.gz GHUCAQCQISNREN-YYZTVXDQSA-N -1 3 391.475 3.935 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821600302 599513908 /nfs/dbraw/zinc/51/39/08/599513908.db2.gz HBSGCUBGRWDWQY-UHFFFAOYSA-N -1 3 378.411 3.730 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821600302 599513910 /nfs/dbraw/zinc/51/39/10/599513910.db2.gz HBSGCUBGRWDWQY-UHFFFAOYSA-N -1 3 378.411 3.730 20 0 GHADHM Fc1ccc(-c2nc(CCNc3c(Cl)cccc3-c3nnn[n-]3)co2)cc1 ZINC000822753051 599517230 /nfs/dbraw/zinc/51/72/30/599517230.db2.gz ASISPBPNEGFCSZ-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM Fc1ccc(-c2nc(CCNc3c(Cl)cccc3-c3nn[n-]n3)co2)cc1 ZINC000822753051 599517231 /nfs/dbraw/zinc/51/72/31/599517231.db2.gz ASISPBPNEGFCSZ-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822228761 599518605 /nfs/dbraw/zinc/51/86/05/599518605.db2.gz FCJOODACIKYPAP-OAHLLOKOSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822228761 599518607 /nfs/dbraw/zinc/51/86/07/599518607.db2.gz FCJOODACIKYPAP-OAHLLOKOSA-N -1 3 379.464 3.555 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCN(c2ccccc2)C1 ZINC000737625576 599521232 /nfs/dbraw/zinc/52/12/32/599521232.db2.gz CFJBMZVSQVKMAV-CYBMUJFWSA-N -1 3 388.397 3.824 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000822345415 599528023 /nfs/dbraw/zinc/52/80/23/599528023.db2.gz INLSFZJUEURHRL-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000822345415 599528024 /nfs/dbraw/zinc/52/80/24/599528024.db2.gz INLSFZJUEURHRL-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820335193 599528724 /nfs/dbraw/zinc/52/87/24/599528724.db2.gz VNJJFUBYCWFICI-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820335193 599528726 /nfs/dbraw/zinc/52/87/26/599528726.db2.gz VNJJFUBYCWFICI-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397555 599541491 /nfs/dbraw/zinc/54/14/91/599541491.db2.gz QIXWMCLPJLHHBO-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397555 599541494 /nfs/dbraw/zinc/54/14/94/599541494.db2.gz QIXWMCLPJLHHBO-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820684546 599547855 /nfs/dbraw/zinc/54/78/55/599547855.db2.gz RBQWRVOLSGQRLL-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820684546 599547857 /nfs/dbraw/zinc/54/78/57/599547857.db2.gz RBQWRVOLSGQRLL-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820686561 599548202 /nfs/dbraw/zinc/54/82/02/599548202.db2.gz YKGVAIXARALZMR-CABCVRRESA-N -1 3 376.464 3.871 20 0 GHADHM Cc1ccc(C2=CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)cc1 ZINC000822231823 599560510 /nfs/dbraw/zinc/56/05/10/599560510.db2.gz IPDKNMDODYZVOS-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1ccc(C2=CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CC2)cc1 ZINC000822231823 599560512 /nfs/dbraw/zinc/56/05/12/599560512.db2.gz IPDKNMDODYZVOS-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H](C)c1ccc(F)cc1 ZINC000821230396 599567087 /nfs/dbraw/zinc/56/70/87/599567087.db2.gz JPEYNSBFQNPCNV-ZDUSSCGKSA-N -1 3 393.426 3.639 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H](C)c1ccc(F)cc1 ZINC000821230396 599567089 /nfs/dbraw/zinc/56/70/89/599567089.db2.gz JPEYNSBFQNPCNV-ZDUSSCGKSA-N -1 3 393.426 3.639 20 0 GHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736304432 599599448 /nfs/dbraw/zinc/59/94/48/599599448.db2.gz VYCRTZMXYNCHJS-GFCCVEGCSA-N -1 3 397.458 3.714 20 0 GHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736304432 599599450 /nfs/dbraw/zinc/59/94/50/599599450.db2.gz VYCRTZMXYNCHJS-GFCCVEGCSA-N -1 3 397.458 3.714 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1OCC(F)(F)F ZINC000737276032 599599946 /nfs/dbraw/zinc/59/99/46/599599946.db2.gz XFZJPGLULIXGPH-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM Cc1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(F)(F)F ZINC000737276032 599599948 /nfs/dbraw/zinc/59/99/48/599599948.db2.gz XFZJPGLULIXGPH-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000819883306 599622757 /nfs/dbraw/zinc/62/27/57/599622757.db2.gz GZLLPTNBPFSTMU-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000819883306 599622758 /nfs/dbraw/zinc/62/27/58/599622758.db2.gz GZLLPTNBPFSTMU-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000821100113 599629395 /nfs/dbraw/zinc/62/93/95/599629395.db2.gz UDRFYTNOTBCYFI-DBVUQKKJSA-N -1 3 399.539 3.979 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000821100113 599629396 /nfs/dbraw/zinc/62/93/96/599629396.db2.gz UDRFYTNOTBCYFI-DBVUQKKJSA-N -1 3 399.539 3.979 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)O1 ZINC000820686082 599630168 /nfs/dbraw/zinc/63/01/68/599630168.db2.gz WYTBWDZXWVCDJH-WMZOPIPTSA-N -1 3 391.475 3.748 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)O1 ZINC000820686082 599630169 /nfs/dbraw/zinc/63/01/69/599630169.db2.gz WYTBWDZXWVCDJH-WMZOPIPTSA-N -1 3 391.475 3.748 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)C(F)(F)F ZINC000819877018 599630271 /nfs/dbraw/zinc/63/02/71/599630271.db2.gz NDMXZRSALMYILA-MRVPVSSYSA-N -1 3 393.394 3.831 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)C(F)(F)F ZINC000819877018 599630272 /nfs/dbraw/zinc/63/02/72/599630272.db2.gz NDMXZRSALMYILA-MRVPVSSYSA-N -1 3 393.394 3.831 20 0 GHADHM CC(C)n1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)n1 ZINC000820214581 599630330 /nfs/dbraw/zinc/63/03/30/599630330.db2.gz JVBKGLSCXXKPSB-UHFFFAOYSA-N -1 3 399.524 3.546 20 0 GHADHM CC(C)n1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)n1 ZINC000820214581 599630331 /nfs/dbraw/zinc/63/03/31/599630331.db2.gz JVBKGLSCXXKPSB-UHFFFAOYSA-N -1 3 399.524 3.546 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820254219 599630345 /nfs/dbraw/zinc/63/03/45/599630345.db2.gz NUIXVKWCHORJTR-ZDUSSCGKSA-N -1 3 384.459 3.770 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820254219 599630346 /nfs/dbraw/zinc/63/03/46/599630346.db2.gz NUIXVKWCHORJTR-ZDUSSCGKSA-N -1 3 384.459 3.770 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(-c3cscn3)c2)s1 ZINC000821465463 599630655 /nfs/dbraw/zinc/63/06/55/599630655.db2.gz IFYWBZPZCXVOJL-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(-c3cscn3)c2)s1 ZINC000821465463 599630656 /nfs/dbraw/zinc/63/06/56/599630656.db2.gz IFYWBZPZCXVOJL-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM O=C([C@@H]1CCCS1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822916754 599631652 /nfs/dbraw/zinc/63/16/52/599631652.db2.gz CCKGHQZCJFHXEK-KRWDZBQOSA-N -1 3 399.907 3.949 20 0 GHADHM O=C([C@@H]1CCCS1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822916754 599631653 /nfs/dbraw/zinc/63/16/53/599631653.db2.gz CCKGHQZCJFHXEK-KRWDZBQOSA-N -1 3 399.907 3.949 20 0 GHADHM CCSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000821461556 599633559 /nfs/dbraw/zinc/63/35/59/599633559.db2.gz QPWRILOZHOYEHA-UHFFFAOYSA-N -1 3 394.382 3.645 20 0 GHADHM CCSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000821461556 599633560 /nfs/dbraw/zinc/63/35/60/599633560.db2.gz QPWRILOZHOYEHA-UHFFFAOYSA-N -1 3 394.382 3.645 20 0 GHADHM CS[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821942714 599633583 /nfs/dbraw/zinc/63/35/83/599633583.db2.gz PWYFSZCGDQYVQQ-CQSZACIVSA-N -1 3 393.394 3.928 20 0 GHADHM CS[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821942714 599633584 /nfs/dbraw/zinc/63/35/84/599633584.db2.gz PWYFSZCGDQYVQQ-CQSZACIVSA-N -1 3 393.394 3.928 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000819892225 599634212 /nfs/dbraw/zinc/63/42/12/599634212.db2.gz ZTLHZLIIXFCVAN-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000819892225 599634213 /nfs/dbraw/zinc/63/42/13/599634213.db2.gz ZTLHZLIIXFCVAN-UHFFFAOYSA-N -1 3 375.354 3.802 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1OC(F)F ZINC000823303604 599634386 /nfs/dbraw/zinc/63/43/86/599634386.db2.gz ODEILXLJIWMYQZ-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1OC(F)F ZINC000823303604 599634387 /nfs/dbraw/zinc/63/43/87/599634387.db2.gz ODEILXLJIWMYQZ-UHFFFAOYSA-N -1 3 399.279 3.739 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822463693 599634745 /nfs/dbraw/zinc/63/47/45/599634745.db2.gz VBRVWSZFBYWJBH-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822463693 599634746 /nfs/dbraw/zinc/63/47/46/599634746.db2.gz VBRVWSZFBYWJBH-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822356055 599634809 /nfs/dbraw/zinc/63/48/09/599634809.db2.gz HRVACWZSKZQRST-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822356055 599634810 /nfs/dbraw/zinc/63/48/10/599634810.db2.gz HRVACWZSKZQRST-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000820068542 599652606 /nfs/dbraw/zinc/65/26/06/599652606.db2.gz RPSDGTINSURMSC-OAHLLOKOSA-N -1 3 395.463 3.547 20 0 GHADHM Cc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822230283 599667460 /nfs/dbraw/zinc/66/74/60/599667460.db2.gz BIHHEAGETBNACP-AUUYWEPGSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822230283 599667461 /nfs/dbraw/zinc/66/74/61/599667461.db2.gz BIHHEAGETBNACP-AUUYWEPGSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233324 599668375 /nfs/dbraw/zinc/66/83/75/599668375.db2.gz MKYVRBWWNONLSM-LJQANCHMSA-N -1 3 376.464 3.612 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233324 599668376 /nfs/dbraw/zinc/66/83/76/599668376.db2.gz MKYVRBWWNONLSM-LJQANCHMSA-N -1 3 376.464 3.612 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820358763 599669709 /nfs/dbraw/zinc/66/97/09/599669709.db2.gz OVKBNLFGSDSVRJ-ABAIWWIYSA-N -1 3 390.369 3.531 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820358763 599669710 /nfs/dbraw/zinc/66/97/10/599669710.db2.gz OVKBNLFGSDSVRJ-ABAIWWIYSA-N -1 3 390.369 3.531 20 0 GHADHM CCc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821481593 599681622 /nfs/dbraw/zinc/68/16/22/599681622.db2.gz LVFAEVSUBILQLJ-OAHLLOKOSA-N -1 3 390.491 3.864 20 0 GHADHM CCc1ccc(CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821481593 599681623 /nfs/dbraw/zinc/68/16/23/599681623.db2.gz LVFAEVSUBILQLJ-OAHLLOKOSA-N -1 3 390.491 3.864 20 0 GHADHM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820570899 599690262 /nfs/dbraw/zinc/69/02/62/599690262.db2.gz TUFMKTGIZSQEPD-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820966400 599692444 /nfs/dbraw/zinc/69/24/44/599692444.db2.gz DVVBQFZKHJPXRT-CZUORRHYSA-N -1 3 393.451 3.706 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820966400 599692445 /nfs/dbraw/zinc/69/24/45/599692445.db2.gz DVVBQFZKHJPXRT-CZUORRHYSA-N -1 3 393.451 3.706 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)N2CCN(CC3CCCCC3)CC2)ccc1F ZINC000740004393 599714945 /nfs/dbraw/zinc/71/49/45/599714945.db2.gz ACZIGYOEDSVXDZ-UHFFFAOYSA-N -1 3 378.448 3.645 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000820170072 607397064 /nfs/dbraw/zinc/39/70/64/607397064.db2.gz PDZBBKYOSCKSOH-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000820170072 607397065 /nfs/dbraw/zinc/39/70/65/607397065.db2.gz PDZBBKYOSCKSOH-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000820174690 607397344 /nfs/dbraw/zinc/39/73/44/607397344.db2.gz WCRVCXHEVVGNFB-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000820174690 607397346 /nfs/dbraw/zinc/39/73/46/607397346.db2.gz WCRVCXHEVVGNFB-UHFFFAOYSA-N -1 3 389.362 3.508 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1-c1nnn[n-]1 ZINC000820161592 607398570 /nfs/dbraw/zinc/39/85/70/607398570.db2.gz XSMDSDAYPGSERG-AWEZNQCLSA-N -1 3 383.477 3.774 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1-c1nn[n-]n1 ZINC000820161592 607398571 /nfs/dbraw/zinc/39/85/71/607398571.db2.gz XSMDSDAYPGSERG-AWEZNQCLSA-N -1 3 383.477 3.774 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000822177164 607399569 /nfs/dbraw/zinc/39/95/69/607399569.db2.gz VRPJJRZTOUKFRE-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000822177164 607399571 /nfs/dbraw/zinc/39/95/71/607399571.db2.gz VRPJJRZTOUKFRE-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1-c1nnn[n-]1 ZINC000820174608 607406793 /nfs/dbraw/zinc/40/67/93/607406793.db2.gz TXAZAKBKGAVHNJ-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1-c1nn[n-]n1 ZINC000820174608 607406794 /nfs/dbraw/zinc/40/67/94/607406794.db2.gz TXAZAKBKGAVHNJ-UHFFFAOYSA-N -1 3 386.481 3.660 20 0 GHADHM COc1ccccc1N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000571627929 599936350 /nfs/dbraw/zinc/93/63/50/599936350.db2.gz HNNNPSWVEAYYDM-UHFFFAOYSA-N -1 3 382.485 3.930 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCOc1ccccc1)CC2 ZINC000567054911 599984761 /nfs/dbraw/zinc/98/47/61/599984761.db2.gz DFSDJEOZAABIQD-LJQANCHMSA-N -1 3 385.460 3.547 20 0 GHADHM Cc1cc(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000738437324 600013642 /nfs/dbraw/zinc/01/36/42/600013642.db2.gz FAMMWHVGMADIPW-UHFFFAOYSA-N -1 3 389.883 3.942 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccsc1 ZINC000737084984 600018879 /nfs/dbraw/zinc/01/88/79/600018879.db2.gz HAXGTKMAFJVSJL-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM C[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000736662508 600047728 /nfs/dbraw/zinc/04/77/28/600047728.db2.gz PRSZZGHRIFSQIA-KSFYIVLOSA-N -1 3 388.467 3.529 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826427796 607418590 /nfs/dbraw/zinc/41/85/90/607418590.db2.gz BBWSXPYMBUAGCI-NHCUHLMSSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826427796 607418592 /nfs/dbraw/zinc/41/85/92/607418592.db2.gz BBWSXPYMBUAGCI-NHCUHLMSSA-N -1 3 395.466 3.929 20 0 GHADHM CC(C)N1CCN(c2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2)CC1 ZINC000736475763 600115124 /nfs/dbraw/zinc/11/51/24/600115124.db2.gz ZOUAXGVAYLLSFI-UHFFFAOYSA-N -1 3 392.459 3.632 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)cc1-c1nnn[n-]1 ZINC000820166310 607424114 /nfs/dbraw/zinc/42/41/14/607424114.db2.gz VRPKBZFSRAZFCP-QGZVFWFLSA-N -1 3 398.492 3.988 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)cc1-c1nn[n-]n1 ZINC000820166310 607424115 /nfs/dbraw/zinc/42/41/15/607424115.db2.gz VRPKBZFSRAZFCP-QGZVFWFLSA-N -1 3 398.492 3.988 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000820164376 607427060 /nfs/dbraw/zinc/42/70/60/607427060.db2.gz JUTWGRUNUQZIJP-LBPRGKRZSA-N -1 3 386.481 3.940 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000820164376 607427063 /nfs/dbraw/zinc/42/70/63/607427063.db2.gz JUTWGRUNUQZIJP-LBPRGKRZSA-N -1 3 386.481 3.940 20 0 GHADHM CN(CC[S@](=O)c1cc(Cl)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737447633 600212715 /nfs/dbraw/zinc/21/27/15/600212715.db2.gz CIDYIRKFCBICOB-GYCJOSAFSA-N -1 3 386.300 3.859 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C)cc1-c1nnn[n-]1 ZINC000820165933 607429124 /nfs/dbraw/zinc/42/91/24/607429124.db2.gz SCZKZMIWMFKKPI-CQSZACIVSA-N -1 3 392.463 3.633 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C)cc1-c1nn[n-]n1 ZINC000820165933 607429125 /nfs/dbraw/zinc/42/91/25/607429125.db2.gz SCZKZMIWMFKKPI-CQSZACIVSA-N -1 3 392.463 3.633 20 0 GHADHM CCOC(=O)c1c(C(C)C)csc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825552604 607431748 /nfs/dbraw/zinc/43/17/48/607431748.db2.gz AYGXHNIGFLOFSR-UHFFFAOYSA-N -1 3 399.476 3.789 20 0 GHADHM CCOC(=O)c1c(C(C)C)csc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825552604 607431749 /nfs/dbraw/zinc/43/17/49/607431749.db2.gz AYGXHNIGFLOFSR-UHFFFAOYSA-N -1 3 399.476 3.789 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736724486 600282429 /nfs/dbraw/zinc/28/24/29/600282429.db2.gz MBLGNAGOADPDSA-SUMWQHHRSA-N -1 3 387.867 3.995 20 0 GHADHM CC[C@@](NCc1cc(=O)oc2cc3c(cc12)CCC3)(C(=O)[O-])c1ccccc1 ZINC000736918651 600305997 /nfs/dbraw/zinc/30/59/97/600305997.db2.gz VPOROFHYKCVRRE-QHCPKHFHSA-N -1 3 377.440 3.761 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736724395 600341325 /nfs/dbraw/zinc/34/13/25/600341325.db2.gz LERQDQKAHUFKHC-OXJNMPFZSA-N -1 3 396.491 3.753 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736283404 600401337 /nfs/dbraw/zinc/40/13/37/600401337.db2.gz KMITVUPGIOOBLV-CZUORRHYSA-N -1 3 382.888 3.702 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1cccc(Cl)c1 ZINC000739483746 600426718 /nfs/dbraw/zinc/42/67/18/600426718.db2.gz LMFMJBNCDLCMLR-IBGZPJMESA-N -1 3 395.846 3.903 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N(C)Cc1ccccc1 ZINC000390419293 600507966 /nfs/dbraw/zinc/50/79/66/600507966.db2.gz IYDGJUXNOHPILY-ZDUSSCGKSA-N -1 3 375.856 3.680 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)s1 ZINC000824499692 607449847 /nfs/dbraw/zinc/44/98/47/607449847.db2.gz ROJSQIHHQLQQJX-JTQLQIEISA-N -1 3 388.884 3.631 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)s1 ZINC000824499692 607449849 /nfs/dbraw/zinc/44/98/49/607449849.db2.gz ROJSQIHHQLQQJX-JTQLQIEISA-N -1 3 388.884 3.631 20 0 GHADHM C[C@H](N[C@@H](C)c1csc2ccccc21)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662119 600523831 /nfs/dbraw/zinc/52/38/31/600523831.db2.gz MASBKRRJLHNWDP-KBPBESRZSA-N -1 3 382.485 3.955 20 0 GHADHM O=C(NCc1cc2ccccc2s1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826440755 607454443 /nfs/dbraw/zinc/45/44/43/607454443.db2.gz ZDBPQCSEYUAQRM-UHFFFAOYSA-N -1 3 390.472 3.570 20 0 GHADHM O=C(NCc1cc2ccccc2s1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826440755 607454444 /nfs/dbraw/zinc/45/44/44/607454444.db2.gz ZDBPQCSEYUAQRM-UHFFFAOYSA-N -1 3 390.472 3.570 20 0 GHADHM CCCCn1ncc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000821082793 607461467 /nfs/dbraw/zinc/46/14/67/607461467.db2.gz OOJDYGNIOKYHTO-UHFFFAOYSA-N -1 3 390.904 3.634 20 0 GHADHM CCCCn1ncc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000821082793 607461469 /nfs/dbraw/zinc/46/14/69/607461469.db2.gz OOJDYGNIOKYHTO-UHFFFAOYSA-N -1 3 390.904 3.634 20 0 GHADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736809221 600715753 /nfs/dbraw/zinc/71/57/53/600715753.db2.gz QGJUUTSPIYHQQB-UHOFOFEASA-N -1 3 382.888 3.701 20 0 GHADHM Cc1c(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cccc1C(=O)[O-] ZINC000738303255 600743248 /nfs/dbraw/zinc/74/32/48/600743248.db2.gz GGMBOXQMFUEEBV-MRXNPFEDSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736815861 600744635 /nfs/dbraw/zinc/74/46/35/600744635.db2.gz YPGLSWBPDIQKHS-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM O=C([O-])[C@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1F ZINC000833168570 600750962 /nfs/dbraw/zinc/75/09/62/600750962.db2.gz YNJYUXWKFDGAFK-SJKOYZFVSA-N -1 3 398.356 3.719 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000824135878 607467629 /nfs/dbraw/zinc/46/76/29/607467629.db2.gz JMYXBOAAZIZBGJ-IZZDOVSWSA-N -1 3 399.458 3.759 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000824135878 607467630 /nfs/dbraw/zinc/46/76/30/607467630.db2.gz JMYXBOAAZIZBGJ-IZZDOVSWSA-N -1 3 399.458 3.759 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000736715061 600793938 /nfs/dbraw/zinc/79/39/38/600793938.db2.gz LKNKJLUFOWRBGC-MRXNPFEDSA-N -1 3 396.487 3.942 20 0 GHADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2sc(Br)cc2C1 ZINC000824764728 607472942 /nfs/dbraw/zinc/47/29/42/607472942.db2.gz XXFYJXLPXQXOGK-SNVBAGLBSA-N -1 3 390.310 3.810 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2sc(Br)cc2C1 ZINC000824764728 607472943 /nfs/dbraw/zinc/47/29/43/607472943.db2.gz XXFYJXLPXQXOGK-SNVBAGLBSA-N -1 3 390.310 3.810 20 0 GHADHM Cc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(OCC(F)(F)F)c1 ZINC000822238299 607487240 /nfs/dbraw/zinc/48/72/40/607487240.db2.gz AMEMPFXTCUHLRH-UHFFFAOYSA-N -1 3 395.360 3.545 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822741307 607487963 /nfs/dbraw/zinc/48/79/63/607487963.db2.gz UTUUMCCLYMLDQC-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000822741307 607487965 /nfs/dbraw/zinc/48/79/65/607487965.db2.gz UTUUMCCLYMLDQC-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000830369605 601416754 /nfs/dbraw/zinc/41/67/54/601416754.db2.gz PDXHCDXESOEEAV-UHFFFAOYSA-N -1 3 380.485 3.619 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000830369959 601597761 /nfs/dbraw/zinc/59/77/61/601597761.db2.gz WATIDXLNXFAAIP-UHFFFAOYSA-N -1 3 388.464 3.634 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044992 601652929 /nfs/dbraw/zinc/65/29/29/601652929.db2.gz NZUSRMBQBPASPS-LRDNONRASA-N -1 3 390.430 3.536 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)cc1 ZINC000832944584 601821807 /nfs/dbraw/zinc/82/18/07/601821807.db2.gz IYPNOXYILGOHJA-OAHLLOKOSA-N -1 3 387.505 3.788 20 0 GHADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000827735203 601831115 /nfs/dbraw/zinc/83/11/15/601831115.db2.gz RIPIOZGUXHVGHQ-AWEZNQCLSA-N -1 3 395.434 3.884 20 0 GHADHM CC[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000828988892 601852695 /nfs/dbraw/zinc/85/26/95/601852695.db2.gz JFAVVBRIZYBUJM-GOSISDBHSA-N -1 3 395.908 3.580 20 0 GHADHM CN(Cc1ccc(-n2cccn2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830810661 601899551 /nfs/dbraw/zinc/89/95/51/601899551.db2.gz DJJLAAQVRKWRNJ-GOSISDBHSA-N -1 3 375.350 3.547 20 0 GHADHM COc1ccc(CSCc2nc3ccccc3nc2C)cc1-c1nnn[n-]1 ZINC000826208154 607532773 /nfs/dbraw/zinc/53/27/73/607532773.db2.gz WEHJDBWYBRGWNS-UHFFFAOYSA-N -1 3 378.461 3.560 20 0 GHADHM COc1ccc(CSCc2nc3ccccc3nc2C)cc1-c1nn[n-]n1 ZINC000826208154 607532776 /nfs/dbraw/zinc/53/27/76/607532776.db2.gz WEHJDBWYBRGWNS-UHFFFAOYSA-N -1 3 378.461 3.560 20 0 GHADHM COc1ccc(CS[C@H](C)c2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000826207670 607535590 /nfs/dbraw/zinc/53/55/90/607535590.db2.gz XQHKXXHUPCQJOM-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(CS[C@H](C)c2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000826207670 607535593 /nfs/dbraw/zinc/53/55/93/607535593.db2.gz XQHKXXHUPCQJOM-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COCCOc1cccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000831785086 601973255 /nfs/dbraw/zinc/97/32/55/601973255.db2.gz ZQDWETOGBARJKP-KRWDZBQOSA-N -1 3 384.259 3.934 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(CCNC(=O)[O-])cc1 ZINC000740246764 602003793 /nfs/dbraw/zinc/00/37/93/602003793.db2.gz QDJLFSFQFMDBFV-UHFFFAOYSA-N -1 3 396.466 3.728 20 0 GHADHM COc1cc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)ccc1C ZINC000826176772 607539433 /nfs/dbraw/zinc/53/94/33/607539433.db2.gz CRLNFYUXAGAHMT-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)ccc1C ZINC000826176772 607539435 /nfs/dbraw/zinc/53/94/35/607539435.db2.gz CRLNFYUXAGAHMT-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)ccc1C ZINC000826177067 607539548 /nfs/dbraw/zinc/53/95/48/607539548.db2.gz QDKDRFJXBLUJMQ-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1cc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)ccc1C ZINC000826177067 607539549 /nfs/dbraw/zinc/53/95/49/607539549.db2.gz QDKDRFJXBLUJMQ-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000827914782 602401104 /nfs/dbraw/zinc/40/11/04/602401104.db2.gz FTJPQZNQELWHBK-WMZOPIPTSA-N -1 3 398.528 3.598 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825782675 607565333 /nfs/dbraw/zinc/56/53/33/607565333.db2.gz LGRMRZLHQHFIAW-INIZCTEOSA-N -1 3 379.468 3.504 20 0 GHADHM CCn1c(C)cc2c1CCC[C@@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825782675 607565334 /nfs/dbraw/zinc/56/53/34/607565334.db2.gz LGRMRZLHQHFIAW-INIZCTEOSA-N -1 3 379.468 3.504 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cc2occc2[nH]1 ZINC000826455503 607571939 /nfs/dbraw/zinc/57/19/39/607571939.db2.gz QUTITIALZSPMDA-UHFFFAOYSA-N -1 3 386.371 3.986 20 0 GHADHM O=C(c1cc(F)c(F)cc1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826470243 607578475 /nfs/dbraw/zinc/57/84/75/607578475.db2.gz JDZFAJXUEQWLNJ-UHFFFAOYSA-N -1 3 399.332 3.724 20 0 GHADHM O=C(c1cc(F)c(F)cc1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826470243 607578477 /nfs/dbraw/zinc/57/84/77/607578477.db2.gz JDZFAJXUEQWLNJ-UHFFFAOYSA-N -1 3 399.332 3.724 20 0 GHADHM CC(C)[C@@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)NC(=O)[O-] ZINC000738790751 602790364 /nfs/dbraw/zinc/79/03/64/602790364.db2.gz AVZURWWLKIQVDS-GOSISDBHSA-N -1 3 389.883 3.974 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)N(C)C)cc1 ZINC000740118211 603364419 /nfs/dbraw/zinc/36/44/19/603364419.db2.gz PSZBJPMHYDCKFF-IBGZPJMESA-N -1 3 384.480 3.529 20 0 GHADHM Cc1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1NC(=O)[O-] ZINC000830187997 603789355 /nfs/dbraw/zinc/78/93/55/603789355.db2.gz UFFBSTBUCHDGLM-UHFFFAOYSA-N -1 3 381.476 3.822 20 0 GHADHM O=C(CSc1nc(-c2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421129 607657215 /nfs/dbraw/zinc/65/72/15/607657215.db2.gz SVGNOLLZCWNVQH-UHFFFAOYSA-N -1 3 379.470 3.965 20 0 GHADHM O=C(CSc1nc(-c2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421129 607657216 /nfs/dbraw/zinc/65/72/16/607657216.db2.gz SVGNOLLZCWNVQH-UHFFFAOYSA-N -1 3 379.470 3.965 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000826243350 607660135 /nfs/dbraw/zinc/66/01/35/607660135.db2.gz FEGXYXPUYKNYSU-UHFFFAOYSA-N -1 3 387.447 3.882 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000826243350 607660139 /nfs/dbraw/zinc/66/01/39/607660139.db2.gz FEGXYXPUYKNYSU-UHFFFAOYSA-N -1 3 387.447 3.882 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000826246343 607667017 /nfs/dbraw/zinc/66/70/17/607667017.db2.gz BOGHZIKUNSSAGM-MRXNPFEDSA-N -1 3 393.491 3.713 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000826246343 607667019 /nfs/dbraw/zinc/66/70/19/607667019.db2.gz BOGHZIKUNSSAGM-MRXNPFEDSA-N -1 3 393.491 3.713 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)nc1-c1ccccc1 ZINC000826250632 607667804 /nfs/dbraw/zinc/66/78/04/607667804.db2.gz JSDCHEMLOJQAPA-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)nc1-c1ccccc1 ZINC000826250632 607667805 /nfs/dbraw/zinc/66/78/05/607667805.db2.gz JSDCHEMLOJQAPA-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000826250198 607671913 /nfs/dbraw/zinc/67/19/13/607671913.db2.gz OYSGZZXOAQBBSC-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000826250198 607671915 /nfs/dbraw/zinc/67/19/15/607671915.db2.gz OYSGZZXOAQBBSC-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000826249912 607683666 /nfs/dbraw/zinc/68/36/66/607683666.db2.gz BAELEUKDYNCRBO-UHFFFAOYSA-N -1 3 376.464 3.808 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000826249912 607683668 /nfs/dbraw/zinc/68/36/68/607683668.db2.gz BAELEUKDYNCRBO-UHFFFAOYSA-N -1 3 376.464 3.808 20 0 GHADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)s2)c1 ZINC000826263459 607691145 /nfs/dbraw/zinc/69/11/45/607691145.db2.gz CCXUNXGFNOAQKD-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)s2)c1 ZINC000826263459 607691147 /nfs/dbraw/zinc/69/11/47/607691147.db2.gz CCXUNXGFNOAQKD-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM O=C([O-])c1cc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c[nH]1 ZINC000833106811 604658910 /nfs/dbraw/zinc/65/89/10/604658910.db2.gz WPZZSYIALLTKOY-UHFFFAOYSA-N -1 3 384.480 3.530 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000833417090 604928503 /nfs/dbraw/zinc/92/85/03/604928503.db2.gz LOTDOHFLVCLORL-QGZVFWFLSA-N -1 3 384.476 3.636 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000833416812 604931593 /nfs/dbraw/zinc/93/15/93/604931593.db2.gz FWBBAZLXGLMRHZ-LJQANCHMSA-N -1 3 398.503 3.631 20 0 GHADHM CC(C)Cc1ccc([C@H](N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000833491981 605011590 /nfs/dbraw/zinc/01/15/90/605011590.db2.gz DANCXSVTLSZQFY-IERDGZPVSA-N -1 3 386.536 3.638 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000833415071 605175694 /nfs/dbraw/zinc/17/56/94/605175694.db2.gz USDHISSXANIZGH-OAQYLSRUSA-N -1 3 395.503 3.667 20 0 GHADHM CC(C)N(Cc1ccccc1)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833497858 605178666 /nfs/dbraw/zinc/17/86/66/605178666.db2.gz KKUUETRTEITRCE-OAQYLSRUSA-N -1 3 382.504 3.865 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC(C2CCOCC2)CC1 ZINC000826368703 607739035 /nfs/dbraw/zinc/73/90/35/607739035.db2.gz YZIYKOCSSJUNJH-UHFFFAOYSA-N -1 3 381.402 3.529 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826283639 607746220 /nfs/dbraw/zinc/74/62/20/607746220.db2.gz WPKSXPLEFDDLDF-INIZCTEOSA-N -1 3 393.491 3.945 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826283639 607746221 /nfs/dbraw/zinc/74/62/21/607746221.db2.gz WPKSXPLEFDDLDF-INIZCTEOSA-N -1 3 393.491 3.945 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2CC[C@H](CNC(=O)[O-])C2)on1 ZINC000833891842 605422359 /nfs/dbraw/zinc/42/23/59/605422359.db2.gz ITSWWAKBCJWACB-CQSZACIVSA-N -1 3 381.432 3.593 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825531295 607759165 /nfs/dbraw/zinc/75/91/65/607759165.db2.gz IGOQWINZVMIPNY-CYBMUJFWSA-N -1 3 394.435 3.567 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825531295 607759166 /nfs/dbraw/zinc/75/91/66/607759166.db2.gz IGOQWINZVMIPNY-CYBMUJFWSA-N -1 3 394.435 3.567 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C=C2CCC(C)CC2)cc1-c1nnn[n-]1 ZINC000825530746 607760940 /nfs/dbraw/zinc/76/09/40/607760940.db2.gz DWNCXQBDSMAOHQ-UHFFFAOYSA-N -1 3 384.440 3.510 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)C=C2CCC(C)CC2)cc1-c1nn[n-]n1 ZINC000825530746 607760941 /nfs/dbraw/zinc/76/09/41/607760941.db2.gz DWNCXQBDSMAOHQ-UHFFFAOYSA-N -1 3 384.440 3.510 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825125160 607762475 /nfs/dbraw/zinc/76/24/75/607762475.db2.gz ALYZNVFXKUVMGO-OAHLLOKOSA-N -1 3 382.493 3.868 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825125160 607762476 /nfs/dbraw/zinc/76/24/76/607762476.db2.gz ALYZNVFXKUVMGO-OAHLLOKOSA-N -1 3 382.493 3.868 20 0 GHADHM O=C(CCc1cccs1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409422 607769864 /nfs/dbraw/zinc/76/98/64/607769864.db2.gz YCCDXBACQRWBMV-UHFFFAOYSA-N -1 3 382.474 3.623 20 0 GHADHM O=C(CCc1cccs1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409422 607769865 /nfs/dbraw/zinc/76/98/65/607769865.db2.gz YCCDXBACQRWBMV-UHFFFAOYSA-N -1 3 382.474 3.623 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824936765 607770313 /nfs/dbraw/zinc/77/03/13/607770313.db2.gz LTXXZSCVXPCPIW-WBMJQRKESA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824936765 607770314 /nfs/dbraw/zinc/77/03/14/607770314.db2.gz LTXXZSCVXPCPIW-WBMJQRKESA-N -1 3 398.492 3.524 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1 ZINC000830573966 605881659 /nfs/dbraw/zinc/88/16/59/605881659.db2.gz WLEQEQSQXRFPFZ-UHFFFAOYSA-N -1 3 381.476 3.741 20 0 GHADHM CCCCC[C@@H](O)CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821049520 606021083 /nfs/dbraw/zinc/02/10/83/606021083.db2.gz KPHFTLNMXQMNBX-MRXNPFEDSA-N -1 3 399.520 3.543 20 0 GHADHM Brc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000819688147 606036703 /nfs/dbraw/zinc/03/67/03/606036703.db2.gz DRDJBJUEQYBLDR-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000819688147 606036707 /nfs/dbraw/zinc/03/67/07/606036707.db2.gz DRDJBJUEQYBLDR-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM COc1cc(CNc2nc3ccccc3cc2-c2nnn[n-]2)ccc1OC(C)C ZINC000821717703 606039604 /nfs/dbraw/zinc/03/96/04/606039604.db2.gz VDASHJFXMAQQSE-UHFFFAOYSA-N -1 3 390.447 3.823 20 0 GHADHM COc1cc(CNc2nc3ccccc3cc2-c2nn[n-]n2)ccc1OC(C)C ZINC000821717703 606039609 /nfs/dbraw/zinc/03/96/09/606039609.db2.gz VDASHJFXMAQQSE-UHFFFAOYSA-N -1 3 390.447 3.823 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823493147 606121080 /nfs/dbraw/zinc/12/10/80/606121080.db2.gz FXAXKPHCMYULPD-ROUUACIJSA-N -1 3 388.475 3.873 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000821608401 606132926 /nfs/dbraw/zinc/13/29/26/606132926.db2.gz FOWAPUBQYDGJCG-UHFFFAOYSA-N -1 3 391.460 3.654 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000821608401 606132927 /nfs/dbraw/zinc/13/29/27/606132927.db2.gz FOWAPUBQYDGJCG-UHFFFAOYSA-N -1 3 391.460 3.654 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562148 606149432 /nfs/dbraw/zinc/14/94/32/606149432.db2.gz DNSMTIQTHSTBMG-ZIAGYGMSSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562148 606149433 /nfs/dbraw/zinc/14/94/33/606149433.db2.gz DNSMTIQTHSTBMG-ZIAGYGMSSA-N -1 3 383.883 3.713 20 0 GHADHM Cc1ncoc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822211520 606150970 /nfs/dbraw/zinc/15/09/70/606150970.db2.gz CEQLJPCYKHKUGZ-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1ncoc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822211520 606150971 /nfs/dbraw/zinc/15/09/71/606150971.db2.gz CEQLJPCYKHKUGZ-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822026951 606151059 /nfs/dbraw/zinc/15/10/59/606151059.db2.gz BNEDXFBRMHSFQY-UHFFFAOYSA-N -1 3 379.464 3.671 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822026951 606151060 /nfs/dbraw/zinc/15/10/60/606151060.db2.gz BNEDXFBRMHSFQY-UHFFFAOYSA-N -1 3 379.464 3.671 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820373852 606154035 /nfs/dbraw/zinc/15/40/35/606154035.db2.gz JXJGSDGHOMYVSA-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000820373852 606154037 /nfs/dbraw/zinc/15/40/37/606154037.db2.gz JXJGSDGHOMYVSA-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM CO[C@H](C)c1nc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000821675142 606170946 /nfs/dbraw/zinc/17/09/46/606170946.db2.gz DUUMNNYEYQKQJY-SNVBAGLBSA-N -1 3 388.522 3.597 20 0 GHADHM CO[C@H](C)c1nc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000821675142 606170948 /nfs/dbraw/zinc/17/09/48/606170948.db2.gz DUUMNNYEYQKQJY-SNVBAGLBSA-N -1 3 388.522 3.597 20 0 GHADHM CN(CCOc1ccccc1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821604743 606214933 /nfs/dbraw/zinc/21/49/33/606214933.db2.gz DGJBJVRNQJFAOS-UHFFFAOYSA-N -1 3 399.454 3.685 20 0 GHADHM CN(CCOc1ccccc1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821604743 606214935 /nfs/dbraw/zinc/21/49/35/606214935.db2.gz DGJBJVRNQJFAOS-UHFFFAOYSA-N -1 3 399.454 3.685 20 0 GHADHM CC(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccnc1 ZINC000820020432 606228929 /nfs/dbraw/zinc/22/89/29/606228929.db2.gz GINMPEKNUFQELH-ZDUSSCGKSA-N -1 3 377.374 3.527 20 0 GHADHM CC(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccnc1 ZINC000820020432 606228930 /nfs/dbraw/zinc/22/89/30/606228930.db2.gz GINMPEKNUFQELH-ZDUSSCGKSA-N -1 3 377.374 3.527 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823356500 606250115 /nfs/dbraw/zinc/25/01/15/606250115.db2.gz NEIIVKJIWRCEKH-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823356500 606250117 /nfs/dbraw/zinc/25/01/17/606250117.db2.gz NEIIVKJIWRCEKH-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CCCSCC1 ZINC000823487878 606258841 /nfs/dbraw/zinc/25/88/41/606258841.db2.gz IGKCXVQMOSIGJA-UHFFFAOYSA-N -1 3 397.529 3.597 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CCCSCC1 ZINC000823487878 606258843 /nfs/dbraw/zinc/25/88/43/606258843.db2.gz IGKCXVQMOSIGJA-UHFFFAOYSA-N -1 3 397.529 3.597 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820571247 606264971 /nfs/dbraw/zinc/26/49/71/606264971.db2.gz WPXSRHSQKJPBKL-CYBMUJFWSA-N -1 3 378.461 3.660 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820571247 606264972 /nfs/dbraw/zinc/26/49/72/606264972.db2.gz WPXSRHSQKJPBKL-CYBMUJFWSA-N -1 3 378.461 3.660 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(-c2ccccc2)n1 ZINC000821122919 606281756 /nfs/dbraw/zinc/28/17/56/606281756.db2.gz CARNPMQWOFVECP-UHFFFAOYSA-N -1 3 389.419 3.596 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640302 606296589 /nfs/dbraw/zinc/29/65/89/606296589.db2.gz FUHOSXJGMSNIMT-FOIQADDNSA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640302 606296591 /nfs/dbraw/zinc/29/65/91/606296591.db2.gz FUHOSXJGMSNIMT-FOIQADDNSA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OC2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644660 606300564 /nfs/dbraw/zinc/30/05/64/606300564.db2.gz FWZWFBCWYNOWFD-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OC2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644660 606300566 /nfs/dbraw/zinc/30/05/66/606300566.db2.gz FWZWFBCWYNOWFD-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM Cc1ccc2nc(NC(=O)CSc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000822280377 606327092 /nfs/dbraw/zinc/32/70/92/606327092.db2.gz LPPWHWSDYORCCW-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM Cc1ccc2nc(NC(=O)CSc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000822280377 606327094 /nfs/dbraw/zinc/32/70/94/606327094.db2.gz LPPWHWSDYORCCW-UHFFFAOYSA-N -1 3 382.474 3.516 20 0 GHADHM c1ccc2c(c1)N(Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)CC21CCCC1 ZINC000823802156 606334789 /nfs/dbraw/zinc/33/47/89/606334789.db2.gz HXGAEIHUQGRDGU-UHFFFAOYSA-N -1 3 399.458 3.749 20 0 GHADHM c1ccc2c(c1)N(Cc1nnc(-c3ccc(-c4nn[n-]n4)cc3)o1)CC21CCCC1 ZINC000823802156 606334790 /nfs/dbraw/zinc/33/47/90/606334790.db2.gz HXGAEIHUQGRDGU-UHFFFAOYSA-N -1 3 399.458 3.749 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513152 606339419 /nfs/dbraw/zinc/33/94/19/606339419.db2.gz VUWUDBFJUPXMEH-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513152 606339421 /nfs/dbraw/zinc/33/94/21/606339421.db2.gz VUWUDBFJUPXMEH-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1csc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519485 606347966 /nfs/dbraw/zinc/34/79/66/606347966.db2.gz VFCXAZQBJLAMPH-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519485 606347968 /nfs/dbraw/zinc/34/79/68/606347968.db2.gz VFCXAZQBJLAMPH-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488816 606350712 /nfs/dbraw/zinc/35/07/12/606350712.db2.gz USPPZQVSEZJRQN-RNKPRXRFSA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488816 606350714 /nfs/dbraw/zinc/35/07/14/606350714.db2.gz USPPZQVSEZJRQN-RNKPRXRFSA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502728 606351093 /nfs/dbraw/zinc/35/10/93/606351093.db2.gz UVNKYHGGDSAMMI-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502728 606351094 /nfs/dbraw/zinc/35/10/94/606351094.db2.gz UVNKYHGGDSAMMI-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000820178197 606355107 /nfs/dbraw/zinc/35/51/07/606355107.db2.gz KQDVQGJXHRLODV-LLVKDONJSA-N -1 3 387.827 3.620 20 0 GHADHM CC(C)Oc1ncc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000820178197 606355109 /nfs/dbraw/zinc/35/51/09/606355109.db2.gz KQDVQGJXHRLODV-LLVKDONJSA-N -1 3 387.827 3.620 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536133 606360012 /nfs/dbraw/zinc/36/00/12/606360012.db2.gz SDFAGSWOMCRDBQ-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536133 606360014 /nfs/dbraw/zinc/36/00/14/606360014.db2.gz SDFAGSWOMCRDBQ-WDEREUQCSA-N -1 3 390.802 3.731 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820096705 606360531 /nfs/dbraw/zinc/36/05/31/606360531.db2.gz GEZOSBWLGPIXJX-AWEZNQCLSA-N -1 3 382.420 3.626 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820096705 606360533 /nfs/dbraw/zinc/36/05/33/606360533.db2.gz GEZOSBWLGPIXJX-AWEZNQCLSA-N -1 3 382.420 3.626 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cnc2ccccc12 ZINC000822020634 606372465 /nfs/dbraw/zinc/37/24/65/606372465.db2.gz FXRSNLGLZHWCBF-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cnc2ccccc12 ZINC000822020634 606372467 /nfs/dbraw/zinc/37/24/67/606372467.db2.gz FXRSNLGLZHWCBF-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c(F)cc1F ZINC000822184631 606372748 /nfs/dbraw/zinc/37/27/48/606372748.db2.gz YHOHJSMPGMRPTB-MRVPVSSYSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c(F)cc1F ZINC000822184631 606372749 /nfs/dbraw/zinc/37/27/49/606372749.db2.gz YHOHJSMPGMRPTB-MRVPVSSYSA-N -1 3 389.431 3.892 20 0 GHADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823350319 606381748 /nfs/dbraw/zinc/38/17/48/606381748.db2.gz IZYXMZYFXGROJO-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823350319 606381749 /nfs/dbraw/zinc/38/17/49/606381749.db2.gz IZYXMZYFXGROJO-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820341748 606390913 /nfs/dbraw/zinc/39/09/13/606390913.db2.gz RHYFIGCZSFNFGA-HNNXBMFYSA-N -1 3 388.475 3.969 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820341748 606390915 /nfs/dbraw/zinc/39/09/15/606390915.db2.gz RHYFIGCZSFNFGA-HNNXBMFYSA-N -1 3 388.475 3.969 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821456601 606395970 /nfs/dbraw/zinc/39/59/70/606395970.db2.gz QRUAQAVEXJNKSY-ZIAGYGMSSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821456601 606395972 /nfs/dbraw/zinc/39/59/72/606395972.db2.gz QRUAQAVEXJNKSY-ZIAGYGMSSA-N -1 3 391.545 3.609 20 0 GHADHM COCCCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821687073 606395975 /nfs/dbraw/zinc/39/59/75/606395975.db2.gz NEYIVBRYTWAKAL-UHFFFAOYSA-N -1 3 384.461 3.601 20 0 GHADHM COCCCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821687073 606395977 /nfs/dbraw/zinc/39/59/77/606395977.db2.gz NEYIVBRYTWAKAL-UHFFFAOYSA-N -1 3 384.461 3.601 20 0 GHADHM Cc1ccc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1C ZINC000822263724 606415524 /nfs/dbraw/zinc/41/55/24/606415524.db2.gz YCUZRNGPVKQKTC-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Cc1ccc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1C ZINC000822263724 606415525 /nfs/dbraw/zinc/41/55/25/606415525.db2.gz YCUZRNGPVKQKTC-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CO[C@H](C)c1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000821675775 606430285 /nfs/dbraw/zinc/43/02/85/606430285.db2.gz SXMLRYNCBRIJIZ-MRVPVSSYSA-N -1 3 384.387 3.662 20 0 GHADHM CO[C@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000821675775 606430287 /nfs/dbraw/zinc/43/02/87/606430287.db2.gz SXMLRYNCBRIJIZ-MRVPVSSYSA-N -1 3 384.387 3.662 20 0 GHADHM c1ccc(OCCOCc2cccc(Nc3ncccc3-c3nnn[n-]3)c2)cc1 ZINC000823791469 606431605 /nfs/dbraw/zinc/43/16/05/606431605.db2.gz DBJZDUGPBOHDNV-UHFFFAOYSA-N -1 3 388.431 3.601 20 0 GHADHM c1ccc(OCCOCc2cccc(Nc3ncccc3-c3nn[n-]n3)c2)cc1 ZINC000823791469 606431607 /nfs/dbraw/zinc/43/16/07/606431607.db2.gz DBJZDUGPBOHDNV-UHFFFAOYSA-N -1 3 388.431 3.601 20 0 GHADHM COc1ccc(OC)c([C@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821841122 606443413 /nfs/dbraw/zinc/44/34/13/606443413.db2.gz CHAVPHZBCTYSQY-MRXNPFEDSA-N -1 3 387.390 3.504 20 0 GHADHM COc1ccc(OC)c([C@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821841122 606443414 /nfs/dbraw/zinc/44/34/14/606443414.db2.gz CHAVPHZBCTYSQY-MRXNPFEDSA-N -1 3 387.390 3.504 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820333611 606444097 /nfs/dbraw/zinc/44/40/97/606444097.db2.gz DWUYGPMMYCJNCZ-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820333611 606444099 /nfs/dbraw/zinc/44/40/99/606444099.db2.gz DWUYGPMMYCJNCZ-SNVBAGLBSA-N -1 3 391.859 3.629 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819817419 606449451 /nfs/dbraw/zinc/44/94/51/606449451.db2.gz FQLAGQOGFOVNNV-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819817419 606449452 /nfs/dbraw/zinc/44/94/52/606449452.db2.gz FQLAGQOGFOVNNV-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822578098 606450567 /nfs/dbraw/zinc/45/05/67/606450567.db2.gz DALYFQQGDHDPIH-MRXNPFEDSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822578098 606450569 /nfs/dbraw/zinc/45/05/69/606450569.db2.gz DALYFQQGDHDPIH-MRXNPFEDSA-N -1 3 385.855 3.690 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000736116882 606481081 /nfs/dbraw/zinc/48/10/81/606481081.db2.gz OZHMBZWKEUCDRJ-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(F)cc1F ZINC000736116882 606481083 /nfs/dbraw/zinc/48/10/83/606481083.db2.gz OZHMBZWKEUCDRJ-SNVBAGLBSA-N -1 3 389.410 3.584 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000823103304 606486432 /nfs/dbraw/zinc/48/64/32/606486432.db2.gz DTCYREFNKGAEDU-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000823103304 606486434 /nfs/dbraw/zinc/48/64/34/606486434.db2.gz DTCYREFNKGAEDU-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)cc1C ZINC000822214265 606489081 /nfs/dbraw/zinc/48/90/81/606489081.db2.gz WYZLNETXENZROQ-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1C ZINC000822214265 606489083 /nfs/dbraw/zinc/48/90/83/606489083.db2.gz WYZLNETXENZROQ-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCC(c1ccccc1)c1ccccc1 ZINC000823098628 606490010 /nfs/dbraw/zinc/49/00/10/606490010.db2.gz RFNYHWJBQUCRFX-UHFFFAOYSA-N -1 3 397.482 3.748 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCC(c1ccccc1)c1ccccc1 ZINC000823098628 606490013 /nfs/dbraw/zinc/49/00/13/606490013.db2.gz RFNYHWJBQUCRFX-UHFFFAOYSA-N -1 3 397.482 3.748 20 0 GHADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375847 606493623 /nfs/dbraw/zinc/49/36/23/606493623.db2.gz MJRYECKCXNZAJE-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375847 606493625 /nfs/dbraw/zinc/49/36/25/606493625.db2.gz MJRYECKCXNZAJE-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000823092448 606495758 /nfs/dbraw/zinc/49/57/58/606495758.db2.gz FKFZMITYHOAMKY-OAQYLSRUSA-N -1 3 383.455 3.509 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000823092448 606495759 /nfs/dbraw/zinc/49/57/59/606495759.db2.gz FKFZMITYHOAMKY-OAQYLSRUSA-N -1 3 383.455 3.509 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000821465736 606497457 /nfs/dbraw/zinc/49/74/57/606497457.db2.gz NNSMPXVBFPQAOQ-UHFFFAOYSA-N -1 3 384.852 3.945 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000821465736 606497458 /nfs/dbraw/zinc/49/74/58/606497458.db2.gz NNSMPXVBFPQAOQ-UHFFFAOYSA-N -1 3 384.852 3.945 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821782661 606498404 /nfs/dbraw/zinc/49/84/04/606498404.db2.gz JMTBXPVEJYHXHG-FQEVSTJZSA-N -1 3 391.475 3.562 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821782661 606498406 /nfs/dbraw/zinc/49/84/06/606498406.db2.gz JMTBXPVEJYHXHG-FQEVSTJZSA-N -1 3 391.475 3.562 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822284186 606506685 /nfs/dbraw/zinc/50/66/85/606506685.db2.gz LLQNZYZKBNBHBX-UHFFFAOYSA-N -1 3 395.448 3.662 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822284186 606506687 /nfs/dbraw/zinc/50/66/87/606506687.db2.gz LLQNZYZKBNBHBX-UHFFFAOYSA-N -1 3 395.448 3.662 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000823086984 606507690 /nfs/dbraw/zinc/50/76/90/606507690.db2.gz BDMBNEUMKDDPBE-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000823086984 606507691 /nfs/dbraw/zinc/50/76/91/606507691.db2.gz BDMBNEUMKDDPBE-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM CCC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000820966405 606529136 /nfs/dbraw/zinc/52/91/36/606529136.db2.gz DXBWCEYLCGONCO-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(COC2CCCCC2)c1 ZINC000823108397 606536664 /nfs/dbraw/zinc/53/66/64/606536664.db2.gz MSLFCRGFUJLCOI-UHFFFAOYSA-N -1 3 391.475 3.897 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(COC2CCCCC2)c1 ZINC000823108397 606536666 /nfs/dbraw/zinc/53/66/66/606536666.db2.gz MSLFCRGFUJLCOI-UHFFFAOYSA-N -1 3 391.475 3.897 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820183451 606550151 /nfs/dbraw/zinc/55/01/51/606550151.db2.gz CQVRIYCGHYZPLZ-AWEZNQCLSA-N -1 3 381.505 3.787 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820183451 606550153 /nfs/dbraw/zinc/55/01/53/606550153.db2.gz CQVRIYCGHYZPLZ-AWEZNQCLSA-N -1 3 381.505 3.787 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000823466230 606556326 /nfs/dbraw/zinc/55/63/26/606556326.db2.gz HIYASBYEYRJALW-UHFFFAOYSA-N -1 3 393.447 3.910 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000823466230 606556328 /nfs/dbraw/zinc/55/63/28/606556328.db2.gz HIYASBYEYRJALW-UHFFFAOYSA-N -1 3 393.447 3.910 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(F)cc1Cl ZINC000823421973 606558050 /nfs/dbraw/zinc/55/80/50/606558050.db2.gz LQEYSWAFRHRWPJ-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1Cl ZINC000823421973 606558052 /nfs/dbraw/zinc/55/80/52/606558052.db2.gz LQEYSWAFRHRWPJ-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1C ZINC000820743100 606577712 /nfs/dbraw/zinc/57/77/12/606577712.db2.gz QHTWNTUPCPUWBP-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1C ZINC000820743100 606577714 /nfs/dbraw/zinc/57/77/14/606577714.db2.gz QHTWNTUPCPUWBP-ZIAGYGMSSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H](N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1(C)CC1 ZINC000820306998 606585766 /nfs/dbraw/zinc/58/57/66/606585766.db2.gz HYGRVLRYTSEWOA-ZDUSSCGKSA-N -1 3 396.520 3.925 20 0 GHADHM CCCC[C@@H](CC)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821040776 606594506 /nfs/dbraw/zinc/59/45/06/606594506.db2.gz RFMYEKUHYZWOMR-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM CCCC[C@@H](CC)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821040776 606594507 /nfs/dbraw/zinc/59/45/07/606594507.db2.gz RFMYEKUHYZWOMR-MRXNPFEDSA-N -1 3 384.528 3.558 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1OCC1CC1 ZINC000822732626 606597390 /nfs/dbraw/zinc/59/73/90/606597390.db2.gz MVPLVYFQNVLJLK-UHFFFAOYSA-N -1 3 387.390 3.869 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1OCC1CC1 ZINC000822732626 606597392 /nfs/dbraw/zinc/59/73/92/606597392.db2.gz MVPLVYFQNVLJLK-UHFFFAOYSA-N -1 3 387.390 3.869 20 0 GHADHM Fc1ccc(F)c(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000822774866 606597688 /nfs/dbraw/zinc/59/76/88/606597688.db2.gz QAIQIFLMBSJHDR-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nc(C2CC2)no1 ZINC000820548453 606598478 /nfs/dbraw/zinc/59/84/78/606598478.db2.gz AAPZKQAOJGPXHO-MRVPVSSYSA-N -1 3 394.407 3.723 20 0 GHADHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1nc(C2CC2)no1 ZINC000820548453 606598480 /nfs/dbraw/zinc/59/84/80/606598480.db2.gz AAPZKQAOJGPXHO-MRVPVSSYSA-N -1 3 394.407 3.723 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000822977918 606602704 /nfs/dbraw/zinc/60/27/04/606602704.db2.gz CEMLICBWHZVEGT-IBGZPJMESA-N -1 3 379.439 3.692 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000822977918 606602705 /nfs/dbraw/zinc/60/27/05/606602705.db2.gz CEMLICBWHZVEGT-IBGZPJMESA-N -1 3 379.439 3.692 20 0 GHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000822935422 606602927 /nfs/dbraw/zinc/60/29/27/606602927.db2.gz KMMWTEYBTBDJHL-UHFFFAOYSA-N -1 3 398.470 3.692 20 0 GHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000822935422 606602929 /nfs/dbraw/zinc/60/29/29/606602929.db2.gz KMMWTEYBTBDJHL-UHFFFAOYSA-N -1 3 398.470 3.692 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821563883 606605403 /nfs/dbraw/zinc/60/54/03/606605403.db2.gz KJIOMZFQYHOOFT-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821563883 606605405 /nfs/dbraw/zinc/60/54/05/606605405.db2.gz KJIOMZFQYHOOFT-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM c1sc(CCc2ccccc2)nc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000823780086 606608533 /nfs/dbraw/zinc/60/85/33/606608533.db2.gz NXYSKWYCXQAWCI-UHFFFAOYSA-N -1 3 380.502 3.796 20 0 GHADHM c1sc(CCc2ccccc2)nc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000823780086 606608534 /nfs/dbraw/zinc/60/85/34/606608534.db2.gz NXYSKWYCXQAWCI-UHFFFAOYSA-N -1 3 380.502 3.796 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820897471 606614586 /nfs/dbraw/zinc/61/45/86/606614586.db2.gz GDYJOQLWJGJGGB-CQSZACIVSA-N -1 3 379.464 3.606 20 0 GHADHM CCC(CC)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820897471 606614587 /nfs/dbraw/zinc/61/45/87/606614587.db2.gz GDYJOQLWJGJGGB-CQSZACIVSA-N -1 3 379.464 3.606 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820675102 606619292 /nfs/dbraw/zinc/61/92/92/606619292.db2.gz HUTRKEWMDOLSRW-UQRISPGASA-N -1 3 376.420 3.739 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000820877053 606626865 /nfs/dbraw/zinc/62/68/65/606626865.db2.gz YVFMDQQLGRPULZ-OAHLLOKOSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H](C)Oc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000820877053 606626867 /nfs/dbraw/zinc/62/68/67/606626867.db2.gz YVFMDQQLGRPULZ-OAHLLOKOSA-N -1 3 391.475 3.849 20 0 GHADHM O=C(COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000823396011 606635445 /nfs/dbraw/zinc/63/54/45/606635445.db2.gz CKUXLRQWONCESB-UHFFFAOYSA-N -1 3 394.456 3.544 20 0 GHADHM O=C(COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000823396011 606635446 /nfs/dbraw/zinc/63/54/46/606635446.db2.gz CKUXLRQWONCESB-UHFFFAOYSA-N -1 3 394.456 3.544 20 0 GHADHM COC(C)(C)c1noc(-c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000821673834 606637953 /nfs/dbraw/zinc/63/79/53/606637953.db2.gz MJKCCNHFSHAKQY-UHFFFAOYSA-N -1 3 378.392 3.591 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000822723731 606656794 /nfs/dbraw/zinc/65/67/94/606656794.db2.gz MITGMGMGWJQPQM-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000822723731 606656795 /nfs/dbraw/zinc/65/67/95/606656795.db2.gz MITGMGMGWJQPQM-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@]3(C)CCCO3)c2-c2nnn[n-]2)C1 ZINC000820578254 606665887 /nfs/dbraw/zinc/66/58/87/606665887.db2.gz ZOSXEFOWSOWHRU-JEOXALJRSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@]3(C)CCCO3)c2-c2nn[n-]n2)C1 ZINC000820578254 606665888 /nfs/dbraw/zinc/66/58/88/606665888.db2.gz ZOSXEFOWSOWHRU-JEOXALJRSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820555039 606669208 /nfs/dbraw/zinc/66/92/08/606669208.db2.gz FAEWPUCJOBRRER-JTQLQIEISA-N -1 3 383.358 3.724 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820555039 606669209 /nfs/dbraw/zinc/66/92/09/606669209.db2.gz FAEWPUCJOBRRER-JTQLQIEISA-N -1 3 383.358 3.724 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147913 606670282 /nfs/dbraw/zinc/67/02/82/606670282.db2.gz LAGLUXPHRYHZCZ-UIAACRFSSA-N -1 3 375.476 3.655 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147913 606670283 /nfs/dbraw/zinc/67/02/83/606670283.db2.gz LAGLUXPHRYHZCZ-UIAACRFSSA-N -1 3 375.476 3.655 20 0 GHADHM O=C(Cc1c(F)cccc1F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823073745 606671159 /nfs/dbraw/zinc/67/11/59/606671159.db2.gz AMILXIPFEOBVMF-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM O=C(Cc1c(F)cccc1F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823073745 606671160 /nfs/dbraw/zinc/67/11/60/606671160.db2.gz AMILXIPFEOBVMF-UHFFFAOYSA-N -1 3 395.369 3.514 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000821154066 606675144 /nfs/dbraw/zinc/67/51/44/606675144.db2.gz IHYXVZYCEVKBCW-UHFFFAOYSA-N -1 3 379.370 3.965 20 0 GHADHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000821154066 606675145 /nfs/dbraw/zinc/67/51/45/606675145.db2.gz IHYXVZYCEVKBCW-UHFFFAOYSA-N -1 3 379.370 3.965 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000821082552 606679068 /nfs/dbraw/zinc/67/90/68/606679068.db2.gz MXPJMIDTSKBOJM-UHFFFAOYSA-N -1 3 377.782 3.855 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000821082552 606679069 /nfs/dbraw/zinc/67/90/69/606679069.db2.gz MXPJMIDTSKBOJM-UHFFFAOYSA-N -1 3 377.782 3.855 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000821480647 606681735 /nfs/dbraw/zinc/68/17/35/606681735.db2.gz CODOLLPYTIYTGB-OAHLLOKOSA-N -1 3 387.390 3.668 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000821480647 606681736 /nfs/dbraw/zinc/68/17/36/606681736.db2.gz CODOLLPYTIYTGB-OAHLLOKOSA-N -1 3 387.390 3.668 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233282 606682635 /nfs/dbraw/zinc/68/26/35/606682635.db2.gz LQMFBPADDGRWAQ-CRAIPNDOSA-N -1 3 397.429 3.862 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233282 606682636 /nfs/dbraw/zinc/68/26/36/606682636.db2.gz LQMFBPADDGRWAQ-CRAIPNDOSA-N -1 3 397.429 3.862 20 0 GHADHM Cc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2cccnc2c1C ZINC000822208384 606683761 /nfs/dbraw/zinc/68/37/61/606683761.db2.gz PGUZNULVPSZISD-UHFFFAOYSA-N -1 3 380.358 3.562 20 0 GHADHM Cc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2cccnc2c1C ZINC000822208384 606683762 /nfs/dbraw/zinc/68/37/62/606683762.db2.gz PGUZNULVPSZISD-UHFFFAOYSA-N -1 3 380.358 3.562 20 0 GHADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823299403 606686348 /nfs/dbraw/zinc/68/63/48/606686348.db2.gz VTGFJTRWNUSSIM-UHFFFAOYSA-N -1 3 387.394 3.558 20 0 GHADHM O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299403 606686349 /nfs/dbraw/zinc/68/63/49/606686349.db2.gz VTGFJTRWNUSSIM-UHFFFAOYSA-N -1 3 387.394 3.558 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823455232 606686433 /nfs/dbraw/zinc/68/64/33/606686433.db2.gz YNSBWQDBSIFMBG-UHFFFAOYSA-N -1 3 381.386 3.617 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823455232 606686434 /nfs/dbraw/zinc/68/64/34/606686434.db2.gz YNSBWQDBSIFMBG-UHFFFAOYSA-N -1 3 381.386 3.617 20 0 GHADHM COc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000821827924 606691928 /nfs/dbraw/zinc/69/19/28/606691928.db2.gz NFFBBLTWLFZJHI-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000821827924 606691929 /nfs/dbraw/zinc/69/19/29/606691929.db2.gz NFFBBLTWLFZJHI-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc2ccncc21 ZINC000822955341 606692914 /nfs/dbraw/zinc/69/29/14/606692914.db2.gz QRFRCHNJFIHVHB-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc2ccncc21 ZINC000822955341 606692915 /nfs/dbraw/zinc/69/29/15/606692915.db2.gz QRFRCHNJFIHVHB-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM Cc1ccc2nc(CNc3ccccc3Oc3ncccc3-c3nnn[n-]3)cn2c1 ZINC000822280499 606700284 /nfs/dbraw/zinc/70/02/84/606700284.db2.gz PWDWVAICHATOFC-UHFFFAOYSA-N -1 3 398.430 3.622 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000821412084 606701376 /nfs/dbraw/zinc/70/13/76/606701376.db2.gz HSDUREFJXYQION-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000821412084 606701377 /nfs/dbraw/zinc/70/13/77/606701377.db2.gz HSDUREFJXYQION-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM Cc1cc(C)cc(CSCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822196699 606706978 /nfs/dbraw/zinc/70/69/78/606706978.db2.gz TVSUUHBGKVSECF-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1cc(C)cc(CSCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822196699 606706980 /nfs/dbraw/zinc/70/69/80/606706980.db2.gz TVSUUHBGKVSECF-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360321 606743393 /nfs/dbraw/zinc/74/33/93/606743393.db2.gz YDGFFOJEMGENBT-GUYCJALGSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820360321 606743395 /nfs/dbraw/zinc/74/33/95/606743395.db2.gz YDGFFOJEMGENBT-GUYCJALGSA-N -1 3 392.463 3.529 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822437336 606748506 /nfs/dbraw/zinc/74/85/06/606748506.db2.gz ZPQNQZHOPWMDNW-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM Cc1nc(CC(C)C)c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822437336 606748507 /nfs/dbraw/zinc/74/85/07/606748507.db2.gz ZPQNQZHOPWMDNW-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM O=C(OCCSc1ccc(Cl)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823409977 606759435 /nfs/dbraw/zinc/75/94/35/606759435.db2.gz PBTJHCKLIDCDNX-UHFFFAOYSA-N -1 3 396.806 3.747 20 0 GHADHM O=C(OCCSc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823409977 606759437 /nfs/dbraw/zinc/75/94/37/606759437.db2.gz PBTJHCKLIDCDNX-UHFFFAOYSA-N -1 3 396.806 3.747 20 0 GHADHM Clc1snnc1CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822590162 606765567 /nfs/dbraw/zinc/76/55/67/606765567.db2.gz JNGXWHMWFDBALV-UHFFFAOYSA-N -1 3 399.867 3.563 20 0 GHADHM Clc1snnc1CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822590162 606765569 /nfs/dbraw/zinc/76/55/69/606765569.db2.gz JNGXWHMWFDBALV-UHFFFAOYSA-N -1 3 399.867 3.563 20 0 GHADHM Cc1cc2nc(Oc3cc(Cl)ccc3-c3nnn[n-]3)c3ccccc3n2n1 ZINC000822212730 606790258 /nfs/dbraw/zinc/79/02/58/606790258.db2.gz FKKFNNDTDAMLPV-UHFFFAOYSA-N -1 3 377.795 3.817 20 0 GHADHM Cc1cc2nc(Oc3cc(Cl)ccc3-c3nn[n-]n3)c3ccccc3n2n1 ZINC000822212730 606790259 /nfs/dbraw/zinc/79/02/59/606790259.db2.gz FKKFNNDTDAMLPV-UHFFFAOYSA-N -1 3 377.795 3.817 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000822758570 606798899 /nfs/dbraw/zinc/79/88/99/606798899.db2.gz SCNASTBUQAMBLQ-KRWDZBQOSA-N -1 3 378.411 3.874 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230377 606807858 /nfs/dbraw/zinc/80/78/58/606807858.db2.gz DXMVOBUKKWBSEU-IBGZPJMESA-N -1 3 393.516 3.939 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230377 606807860 /nfs/dbraw/zinc/80/78/60/606807860.db2.gz DXMVOBUKKWBSEU-IBGZPJMESA-N -1 3 393.516 3.939 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000822135923 606825573 /nfs/dbraw/zinc/82/55/73/606825573.db2.gz GWCKKMUQKBMPQL-QGZVFWFLSA-N -1 3 385.493 3.519 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)no1 ZINC000822201166 606830116 /nfs/dbraw/zinc/83/01/16/606830116.db2.gz TZTRJONFTZEXOH-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM Cc1cc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)no1 ZINC000822201166 606830118 /nfs/dbraw/zinc/83/01/18/606830118.db2.gz TZTRJONFTZEXOH-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(F)=C1CCCC1 ZINC000823383284 606835179 /nfs/dbraw/zinc/83/51/79/606835179.db2.gz OZHBMIVJCKQYNO-UHFFFAOYSA-N -1 3 384.440 3.650 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(F)=C1CCCC1 ZINC000823383284 606835181 /nfs/dbraw/zinc/83/51/81/606835181.db2.gz OZHBMIVJCKQYNO-UHFFFAOYSA-N -1 3 384.440 3.650 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCCc2ccccc21 ZINC000823065963 606851946 /nfs/dbraw/zinc/85/19/46/606851946.db2.gz GSUZSAFTZCGMCW-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCc2ccccc21 ZINC000823065963 606851949 /nfs/dbraw/zinc/85/19/49/606851949.db2.gz GSUZSAFTZCGMCW-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM c1ccc(N2CCCCC2)c(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823762426 606863011 /nfs/dbraw/zinc/86/30/11/606863011.db2.gz OUIWMSPLWHDAQY-UHFFFAOYSA-N -1 3 378.480 3.738 20 0 GHADHM c1ccc(N2CCCCC2)c(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823762426 606863013 /nfs/dbraw/zinc/86/30/13/606863013.db2.gz OUIWMSPLWHDAQY-UHFFFAOYSA-N -1 3 378.480 3.738 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000820076882 606921948 /nfs/dbraw/zinc/92/19/48/606921948.db2.gz VTQZKNCENHMRQC-UHFFFAOYSA-N -1 3 383.418 3.917 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000820076882 606921950 /nfs/dbraw/zinc/92/19/50/606921950.db2.gz VTQZKNCENHMRQC-UHFFFAOYSA-N -1 3 383.418 3.917 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822214126 606946834 /nfs/dbraw/zinc/94/68/34/606946834.db2.gz QMCBOWDIPAXCPQ-CABCVRRESA-N -1 3 389.463 3.945 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822214126 606946835 /nfs/dbraw/zinc/94/68/35/606946835.db2.gz QMCBOWDIPAXCPQ-CABCVRRESA-N -1 3 389.463 3.945 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821672323 606952989 /nfs/dbraw/zinc/95/29/89/606952989.db2.gz GNYCMYDXRJCSLS-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821672323 606952991 /nfs/dbraw/zinc/95/29/91/606952991.db2.gz GNYCMYDXRJCSLS-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM CCOCCC1(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCCC1 ZINC000821374335 606957487 /nfs/dbraw/zinc/95/74/87/606957487.db2.gz VMCHKUILQGWNFO-UHFFFAOYSA-N -1 3 377.514 3.725 20 0 GHADHM CCOCCC1(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCCC1 ZINC000821374335 606957488 /nfs/dbraw/zinc/95/74/88/606957488.db2.gz VMCHKUILQGWNFO-UHFFFAOYSA-N -1 3 377.514 3.725 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820950752 606957519 /nfs/dbraw/zinc/95/75/19/606957519.db2.gz RZOMBLVXORKKFV-NRFANRHFSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820950752 606957520 /nfs/dbraw/zinc/95/75/20/606957520.db2.gz RZOMBLVXORKKFV-NRFANRHFSA-N -1 3 377.448 3.921 20 0 GHADHM CS/C=C/C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821956099 606959880 /nfs/dbraw/zinc/95/98/80/606959880.db2.gz HGDGQMRLJCKMQL-MDZDMXLPSA-N -1 3 385.880 3.930 20 0 GHADHM CS/C=C/C(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821956099 606959881 /nfs/dbraw/zinc/95/98/81/606959881.db2.gz HGDGQMRLJCKMQL-MDZDMXLPSA-N -1 3 385.880 3.930 20 0 GHADHM CN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821570580 606974965 /nfs/dbraw/zinc/97/49/65/606974965.db2.gz BFGWHQSEODCZJB-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821570580 606974966 /nfs/dbraw/zinc/97/49/66/606974966.db2.gz BFGWHQSEODCZJB-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822207084 606987564 /nfs/dbraw/zinc/98/75/64/606987564.db2.gz KHNGEYREWBTVBC-HNNXBMFYSA-N -1 3 376.464 3.806 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822207084 606987566 /nfs/dbraw/zinc/98/75/66/606987566.db2.gz KHNGEYREWBTVBC-HNNXBMFYSA-N -1 3 376.464 3.806 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000821412504 607000522 /nfs/dbraw/zinc/00/05/22/607000522.db2.gz MTBRGBLECSOCLH-UHFFFAOYSA-N -1 3 376.420 3.616 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000821412504 607000524 /nfs/dbraw/zinc/00/05/24/607000524.db2.gz MTBRGBLECSOCLH-UHFFFAOYSA-N -1 3 376.420 3.616 20 0 GHADHM Fc1ccc(CSc2nnc(CCCc3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000822774509 607011231 /nfs/dbraw/zinc/01/12/31/607011231.db2.gz KSKUHRLETADPQW-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Fc1ccc(CSc2nnc(CCCc3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000822774509 607011232 /nfs/dbraw/zinc/01/12/32/607011232.db2.gz KSKUHRLETADPQW-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820220290 607013276 /nfs/dbraw/zinc/01/32/76/607013276.db2.gz QCWUYPRTFZVDLQ-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820220290 607013277 /nfs/dbraw/zinc/01/32/77/607013277.db2.gz QCWUYPRTFZVDLQ-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM Cc1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1nccs1 ZINC000822168983 607014195 /nfs/dbraw/zinc/01/41/95/607014195.db2.gz WDERMQWQIDHQIM-UHFFFAOYSA-N -1 3 396.501 3.706 20 0 GHADHM Cc1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1nccs1 ZINC000822168983 607014196 /nfs/dbraw/zinc/01/41/96/607014196.db2.gz WDERMQWQIDHQIM-UHFFFAOYSA-N -1 3 396.501 3.706 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ncc(-c4nnn[n-]4)cc3Cl)cc2)n1 ZINC000822198037 607027916 /nfs/dbraw/zinc/02/79/16/607027916.db2.gz ZFKUPKCNSXWTGH-ZDUSSCGKSA-N -1 3 394.870 3.891 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2)n1 ZINC000822198037 607027918 /nfs/dbraw/zinc/02/79/18/607027918.db2.gz ZFKUPKCNSXWTGH-ZDUSSCGKSA-N -1 3 394.870 3.891 20 0 GHADHM CCCc1nc(COc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000821142301 607030718 /nfs/dbraw/zinc/03/07/18/607030718.db2.gz GERKJBXBFXTVQC-UHFFFAOYSA-N -1 3 380.271 3.617 20 0 GHADHM CCCc1nc(COc2ccc(Br)cc2-c2nn[n-]n2)cs1 ZINC000821142301 607030720 /nfs/dbraw/zinc/03/07/20/607030720.db2.gz GERKJBXBFXTVQC-UHFFFAOYSA-N -1 3 380.271 3.617 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000820097700 607033942 /nfs/dbraw/zinc/03/39/42/607033942.db2.gz RURVOBFRFYHBTG-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000820097700 607033944 /nfs/dbraw/zinc/03/39/44/607033944.db2.gz RURVOBFRFYHBTG-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2c(F)cc(F)cc2C1 ZINC000822335890 607040428 /nfs/dbraw/zinc/04/04/28/607040428.db2.gz NBXFXVKIJLMBKD-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2c(F)cc(F)cc2C1 ZINC000822335890 607040431 /nfs/dbraw/zinc/04/04/31/607040431.db2.gz NBXFXVKIJLMBKD-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1OC ZINC000820925125 607055924 /nfs/dbraw/zinc/05/59/24/607055924.db2.gz DSERTMNPAAKKSS-INIZCTEOSA-N -1 3 375.835 3.909 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822934958 607082613 /nfs/dbraw/zinc/08/26/13/607082613.db2.gz FJHDHDVSWFQUNQ-HNNXBMFYSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822934958 607082614 /nfs/dbraw/zinc/08/26/14/607082614.db2.gz FJHDHDVSWFQUNQ-HNNXBMFYSA-N -1 3 394.328 3.785 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000820481726 607091803 /nfs/dbraw/zinc/09/18/03/607091803.db2.gz ZEMIIBDTMNECFH-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000820481726 607091806 /nfs/dbraw/zinc/09/18/06/607091806.db2.gz ZEMIIBDTMNECFH-LLVKDONJSA-N -1 3 388.374 3.607 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)cc1F ZINC000822168916 607116622 /nfs/dbraw/zinc/11/66/22/607116622.db2.gz VKYCVEVCAFAPKY-UHFFFAOYSA-N -1 3 385.830 3.772 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)cc1F ZINC000822168916 607116623 /nfs/dbraw/zinc/11/66/23/607116623.db2.gz VKYCVEVCAFAPKY-UHFFFAOYSA-N -1 3 385.830 3.772 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2ccc(F)c(F)c2C1 ZINC000822336886 607130833 /nfs/dbraw/zinc/13/08/33/607130833.db2.gz SPMMVOIBIYSXTK-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2ccc(F)c(F)c2C1 ZINC000822336886 607130835 /nfs/dbraw/zinc/13/08/35/607130835.db2.gz SPMMVOIBIYSXTK-UHFFFAOYSA-N -1 3 378.386 3.564 20 0 GHADHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1-c1ccccc1 ZINC000823041391 607139109 /nfs/dbraw/zinc/13/91/09/607139109.db2.gz ZTZXLLBZVSOQCY-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1-c1ccccc1 ZINC000823041391 607139111 /nfs/dbraw/zinc/13/91/11/607139111.db2.gz ZTZXLLBZVSOQCY-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c2)n1 ZINC000822402857 607139575 /nfs/dbraw/zinc/13/95/75/607139575.db2.gz JJFIPFUJNIKFFY-UHFFFAOYSA-N -1 3 393.382 3.922 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c2)n1 ZINC000822402857 607139577 /nfs/dbraw/zinc/13/95/77/607139577.db2.gz JJFIPFUJNIKFFY-UHFFFAOYSA-N -1 3 393.382 3.922 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)oc1C ZINC000822177010 607153315 /nfs/dbraw/zinc/15/33/15/607153315.db2.gz REWMKYAKGCSSLT-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)oc1C ZINC000822177010 607153317 /nfs/dbraw/zinc/15/33/17/607153317.db2.gz REWMKYAKGCSSLT-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000822978929 607165274 /nfs/dbraw/zinc/16/52/74/607165274.db2.gz TYFLUAWXNUHHCU-OAQYLSRUSA-N -1 3 389.503 3.813 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000822978929 607165276 /nfs/dbraw/zinc/16/52/76/607165276.db2.gz TYFLUAWXNUHHCU-OAQYLSRUSA-N -1 3 389.503 3.813 20 0 GHADHM CC(C)(C)c1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819959059 607166572 /nfs/dbraw/zinc/16/65/72/607166572.db2.gz WUSBUXPSQLPVLQ-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM CC(C)(C)c1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819959059 607166573 /nfs/dbraw/zinc/16/65/73/607166573.db2.gz WUSBUXPSQLPVLQ-UHFFFAOYSA-N -1 3 375.436 3.826 20 0 GHADHM Fc1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(-c2nnn[n-]2)c1 ZINC000822778029 607174665 /nfs/dbraw/zinc/17/46/65/607174665.db2.gz ATUBERZEPISVQG-LBPRGKRZSA-N -1 3 384.484 3.725 20 0 GHADHM Fc1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(-c2nn[n-]n2)c1 ZINC000822778029 607174666 /nfs/dbraw/zinc/17/46/66/607174666.db2.gz ATUBERZEPISVQG-LBPRGKRZSA-N -1 3 384.484 3.725 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000819965681 607189831 /nfs/dbraw/zinc/18/98/31/607189831.db2.gz MRXBCOBXTYVAEA-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000819965681 607189832 /nfs/dbraw/zinc/18/98/32/607189832.db2.gz MRXBCOBXTYVAEA-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Oc2cccnc2)cc1 ZINC000823319810 607190458 /nfs/dbraw/zinc/19/04/58/607190458.db2.gz YOPHAVLKWJFBBV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Oc2cccnc2)cc1 ZINC000823319810 607190459 /nfs/dbraw/zinc/19/04/59/607190459.db2.gz YOPHAVLKWJFBBV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Br)c1 ZINC000823319315 607191310 /nfs/dbraw/zinc/19/13/10/607191310.db2.gz RYIUXHSDJSXMAH-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Br)c1 ZINC000823319315 607191311 /nfs/dbraw/zinc/19/13/11/607191311.db2.gz RYIUXHSDJSXMAH-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823315013 607191405 /nfs/dbraw/zinc/19/14/05/607191405.db2.gz WLDWWVSFGADEPF-CMPLNLGQSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823315013 607191406 /nfs/dbraw/zinc/19/14/06/607191406.db2.gz WLDWWVSFGADEPF-CMPLNLGQSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1Cc1ccccc1 ZINC000823313471 607197818 /nfs/dbraw/zinc/19/78/18/607197818.db2.gz BUUVGQTXBMYINJ-HNNXBMFYSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1Cc1ccccc1 ZINC000823313471 607197819 /nfs/dbraw/zinc/19/78/19/607197819.db2.gz BUUVGQTXBMYINJ-HNNXBMFYSA-N -1 3 382.855 3.759 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cc(C(F)F)ccc1Cl ZINC000823257192 607204527 /nfs/dbraw/zinc/20/45/27/607204527.db2.gz DGLPEGYWBHNJNJ-UHFFFAOYSA-N -1 3 378.770 3.779 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cc(C(F)F)ccc1Cl ZINC000823257192 607204528 /nfs/dbraw/zinc/20/45/28/607204528.db2.gz DGLPEGYWBHNJNJ-UHFFFAOYSA-N -1 3 378.770 3.779 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820937992 607234431 /nfs/dbraw/zinc/23/44/31/607234431.db2.gz GJEPNUJZVNBVFJ-DOTOQJQBSA-N -1 3 396.882 3.714 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820937992 607234432 /nfs/dbraw/zinc/23/44/32/607234432.db2.gz GJEPNUJZVNBVFJ-DOTOQJQBSA-N -1 3 396.882 3.714 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000822262499 607239056 /nfs/dbraw/zinc/23/90/56/607239056.db2.gz ABWXCBKWHQQMCT-UHFFFAOYSA-N -1 3 389.818 3.765 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000822262499 607239057 /nfs/dbraw/zinc/23/90/57/607239057.db2.gz ABWXCBKWHQQMCT-UHFFFAOYSA-N -1 3 389.818 3.765 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822419796 607243849 /nfs/dbraw/zinc/24/38/49/607243849.db2.gz WGXMGAAZJDFWPP-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822419796 607243850 /nfs/dbraw/zinc/24/38/50/607243850.db2.gz WGXMGAAZJDFWPP-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825811845 607790407 /nfs/dbraw/zinc/79/04/07/607790407.db2.gz CKTLWTXQXQGSFG-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825811845 607790408 /nfs/dbraw/zinc/79/04/08/607790408.db2.gz CKTLWTXQXQGSFG-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385358 607795609 /nfs/dbraw/zinc/79/56/09/607795609.db2.gz DCDGIEHEJYSNIK-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385358 607795610 /nfs/dbraw/zinc/79/56/10/607795610.db2.gz DCDGIEHEJYSNIK-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(C(=O)c1cc2c(nc(C)cc2C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379709 607795762 /nfs/dbraw/zinc/79/57/62/607795762.db2.gz KBGIJXMBCKQHRP-UHFFFAOYSA-N -1 3 378.461 3.760 20 0 GHADHM CCN(C(=O)c1cc2c(nc(C)cc2C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379709 607795763 /nfs/dbraw/zinc/79/57/63/607795763.db2.gz KBGIJXMBCKQHRP-UHFFFAOYSA-N -1 3 378.461 3.760 20 0 GHADHM CCN(C(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380996 607797773 /nfs/dbraw/zinc/79/77/73/607797773.db2.gz YAGZKIKGYLESPN-UHFFFAOYSA-N -1 3 384.443 3.959 20 0 GHADHM CCN(C(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380996 607797774 /nfs/dbraw/zinc/79/77/74/607797774.db2.gz YAGZKIKGYLESPN-UHFFFAOYSA-N -1 3 384.443 3.959 20 0 GHADHM Cc1c(NC(=O)N2CCC(C)(c3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000826241583 607803993 /nfs/dbraw/zinc/80/39/93/607803993.db2.gz IFCUYBIHYUPTDG-UHFFFAOYSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1c(NC(=O)N2CCC(C)(c3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000826241583 607803994 /nfs/dbraw/zinc/80/39/94/607803994.db2.gz IFCUYBIHYUPTDG-UHFFFAOYSA-N -1 3 376.464 3.761 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824469781 607819115 /nfs/dbraw/zinc/81/91/15/607819115.db2.gz BYKXIINKOMKNKH-RDTXWAMCSA-N -1 3 379.464 3.600 20 0 GHADHM C[C@@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824469781 607819116 /nfs/dbraw/zinc/81/91/16/607819116.db2.gz BYKXIINKOMKNKH-RDTXWAMCSA-N -1 3 379.464 3.600 20 0 GHADHM CS[C@@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227290 607835238 /nfs/dbraw/zinc/83/52/38/607835238.db2.gz OVCZCMBBUNHPBY-VHSXEESVSA-N -1 3 386.308 3.578 20 0 GHADHM CS[C@@H]1CCC[C@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227290 607835239 /nfs/dbraw/zinc/83/52/39/607835239.db2.gz OVCZCMBBUNHPBY-VHSXEESVSA-N -1 3 386.308 3.578 20 0 GHADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1cccc(F)c1 ZINC000826408063 607843015 /nfs/dbraw/zinc/84/30/15/607843015.db2.gz OFGILXLCCOCSIF-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1cccc(F)c1 ZINC000826408063 607843016 /nfs/dbraw/zinc/84/30/16/607843016.db2.gz OFGILXLCCOCSIF-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1c(F)cccc1F ZINC000826421259 607844221 /nfs/dbraw/zinc/84/42/21/607844221.db2.gz ZIMNCOAQUPIIJQ-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1c(F)cccc1F ZINC000826421259 607844222 /nfs/dbraw/zinc/84/42/22/607844222.db2.gz ZIMNCOAQUPIIJQ-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Br)c1 ZINC000826282558 607861607 /nfs/dbraw/zinc/86/16/07/607861607.db2.gz UMSDPIJIKHSBRK-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Br)c1 ZINC000826282558 607861608 /nfs/dbraw/zinc/86/16/08/607861608.db2.gz UMSDPIJIKHSBRK-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(-c2ccccn2)ccc1Cl ZINC000826468609 607861964 /nfs/dbraw/zinc/86/19/64/607861964.db2.gz ZZXQGWOHDGSDJK-UHFFFAOYSA-N -1 3 395.781 3.940 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(-c2ccccn2)ccc1Cl ZINC000826468609 607861965 /nfs/dbraw/zinc/86/19/65/607861965.db2.gz ZZXQGWOHDGSDJK-UHFFFAOYSA-N -1 3 395.781 3.940 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000824046483 607885936 /nfs/dbraw/zinc/88/59/36/607885936.db2.gz SKTJHJSAFYKDRI-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824046483 607885937 /nfs/dbraw/zinc/88/59/37/607885937.db2.gz SKTJHJSAFYKDRI-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000824045329 607887016 /nfs/dbraw/zinc/88/70/16/607887016.db2.gz LJDVBANRYMRFCX-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000824045329 607887017 /nfs/dbraw/zinc/88/70/17/607887017.db2.gz LJDVBANRYMRFCX-AWEZNQCLSA-N -1 3 393.447 3.660 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCCC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000825530326 607908884 /nfs/dbraw/zinc/90/88/84/607908884.db2.gz CPXVDXMYGDDFNK-LBPRGKRZSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000825530326 607908885 /nfs/dbraw/zinc/90/88/85/607908885.db2.gz CPXVDXMYGDDFNK-LBPRGKRZSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000825530322 607909037 /nfs/dbraw/zinc/90/90/37/607909037.db2.gz CPXVDXMYGDDFNK-GFCCVEGCSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000825530322 607909038 /nfs/dbraw/zinc/90/90/38/607909038.db2.gz CPXVDXMYGDDFNK-GFCCVEGCSA-N -1 3 386.456 3.590 20 0 GHADHM O=[S@](Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000826495755 607910840 /nfs/dbraw/zinc/91/08/40/607910840.db2.gz AKIODYASGZYSJR-MUUNZHRXSA-N -1 3 389.484 3.787 20 0 GHADHM O=[S@](Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000826495755 607910841 /nfs/dbraw/zinc/91/08/41/607910841.db2.gz AKIODYASGZYSJR-MUUNZHRXSA-N -1 3 389.484 3.787 20 0 GHADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1C(F)(F)F ZINC000824038918 607947648 /nfs/dbraw/zinc/94/76/48/607947648.db2.gz AVJIYYHXRDUMFS-NSHDSACASA-N -1 3 387.365 3.578 20 0 GHADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1C(F)(F)F ZINC000824038918 607947649 /nfs/dbraw/zinc/94/76/49/607947649.db2.gz AVJIYYHXRDUMFS-NSHDSACASA-N -1 3 387.365 3.578 20 0 GHADHM O=C(CCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc2ccccc2c1 ZINC000826404499 607948102 /nfs/dbraw/zinc/94/81/02/607948102.db2.gz CDQBOJKFUUJFEG-UHFFFAOYSA-N -1 3 397.438 3.572 20 0 GHADHM O=C(CCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc2ccccc2c1 ZINC000826404499 607948103 /nfs/dbraw/zinc/94/81/03/607948103.db2.gz CDQBOJKFUUJFEG-UHFFFAOYSA-N -1 3 397.438 3.572 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826234379 607949251 /nfs/dbraw/zinc/94/92/51/607949251.db2.gz SQRXBIHNIZXNGQ-UHFFFAOYSA-N -1 3 379.807 3.778 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826234379 607949252 /nfs/dbraw/zinc/94/92/52/607949252.db2.gz SQRXBIHNIZXNGQ-UHFFFAOYSA-N -1 3 379.807 3.778 20 0 GHADHM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470315 607951841 /nfs/dbraw/zinc/95/18/41/607951841.db2.gz LVPUBMYQWPZWHD-UHFFFAOYSA-N -1 3 399.479 3.897 20 0 GHADHM O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470315 607951842 /nfs/dbraw/zinc/95/18/42/607951842.db2.gz LVPUBMYQWPZWHD-UHFFFAOYSA-N -1 3 399.479 3.897 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000824255571 607962106 /nfs/dbraw/zinc/96/21/06/607962106.db2.gz OKYXWHRABSTPEX-YVMONPNESA-N -1 3 396.882 3.613 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000824255571 607962107 /nfs/dbraw/zinc/96/21/07/607962107.db2.gz OKYXWHRABSTPEX-YVMONPNESA-N -1 3 396.882 3.613 20 0 GHADHM CCC(=O)c1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1F ZINC000825034581 607963106 /nfs/dbraw/zinc/96/31/06/607963106.db2.gz MHWOGLRRGIFOGZ-UHFFFAOYSA-N -1 3 387.802 3.529 20 0 GHADHM CCC(=O)c1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000825034581 607963107 /nfs/dbraw/zinc/96/31/07/607963107.db2.gz MHWOGLRRGIFOGZ-UHFFFAOYSA-N -1 3 387.802 3.529 20 0 GHADHM CC[C@@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000825134584 607963929 /nfs/dbraw/zinc/96/39/29/607963929.db2.gz VGXWFTSVCMZFIR-SNVBAGLBSA-N -1 3 383.264 3.511 20 0 GHADHM CC[C@@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000825134584 607963930 /nfs/dbraw/zinc/96/39/30/607963930.db2.gz VGXWFTSVCMZFIR-SNVBAGLBSA-N -1 3 383.264 3.511 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2ncc(C)cn2)cc1 ZINC000826176442 607965914 /nfs/dbraw/zinc/96/59/14/607965914.db2.gz PQHGLXPYZQSIBR-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2ncc(C)cn2)cc1 ZINC000826176442 607965915 /nfs/dbraw/zinc/96/59/15/607965915.db2.gz PQHGLXPYZQSIBR-UHFFFAOYSA-N -1 3 375.392 3.510 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273652 607989876 /nfs/dbraw/zinc/98/98/76/607989876.db2.gz OEHNPBKBCZEJPJ-LBPRGKRZSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273652 607989877 /nfs/dbraw/zinc/98/98/77/607989877.db2.gz OEHNPBKBCZEJPJ-LBPRGKRZSA-N -1 3 394.460 3.555 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccc1Cl ZINC000826177819 608000244 /nfs/dbraw/zinc/00/02/44/608000244.db2.gz WYRVPUGZVJOKLR-UHFFFAOYSA-N -1 3 389.868 3.721 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccc1Cl ZINC000826177819 608000245 /nfs/dbraw/zinc/00/02/45/608000245.db2.gz WYRVPUGZVJOKLR-UHFFFAOYSA-N -1 3 389.868 3.721 20 0 GHADHM COc1ccccc1[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC000826218716 608017254 /nfs/dbraw/zinc/01/72/54/608017254.db2.gz JGMYVENORQNWAC-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccccc1[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC000826218716 608017255 /nfs/dbraw/zinc/01/72/55/608017255.db2.gz JGMYVENORQNWAC-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000130551098 608049793 /nfs/dbraw/zinc/04/97/93/608049793.db2.gz BIGQNFCBPNIKOH-HNNXBMFYSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000130551098 608049794 /nfs/dbraw/zinc/04/97/94/608049794.db2.gz BIGQNFCBPNIKOH-HNNXBMFYSA-N -1 3 397.438 3.840 20 0 GHADHM O=C(OCc1ccno1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826467511 608060049 /nfs/dbraw/zinc/06/00/49/608060049.db2.gz ZODSGWRHNMSVSN-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM O=C(OCc1ccno1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826467511 608060050 /nfs/dbraw/zinc/06/00/50/608060050.db2.gz ZODSGWRHNMSVSN-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM CCCCC1CCC(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000825266223 608084404 /nfs/dbraw/zinc/08/44/04/608084404.db2.gz DFTBPDJSNGUUEK-UHYCVJNDSA-N -1 3 397.523 3.763 20 0 GHADHM CCCCC1CCC(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825266223 608084405 /nfs/dbraw/zinc/08/44/05/608084405.db2.gz DFTBPDJSNGUUEK-UHYCVJNDSA-N -1 3 397.523 3.763 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000825012983 608141136 /nfs/dbraw/zinc/14/11/36/608141136.db2.gz MXEVLLBWHAHQCW-VIFPVBQESA-N -1 3 391.909 3.970 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000825012983 608141137 /nfs/dbraw/zinc/14/11/37/608141137.db2.gz MXEVLLBWHAHQCW-VIFPVBQESA-N -1 3 391.909 3.970 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826405539 608149129 /nfs/dbraw/zinc/14/91/29/608149129.db2.gz JQHLZKQBMISVHM-UHFFFAOYSA-N -1 3 382.371 3.661 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826405539 608149130 /nfs/dbraw/zinc/14/91/30/608149130.db2.gz JQHLZKQBMISVHM-UHFFFAOYSA-N -1 3 382.371 3.661 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825825916 608151930 /nfs/dbraw/zinc/15/19/30/608151930.db2.gz NWAPJVDIUBZJPG-UHFFFAOYSA-N -1 3 381.436 3.817 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825825916 608151931 /nfs/dbraw/zinc/15/19/31/608151931.db2.gz NWAPJVDIUBZJPG-UHFFFAOYSA-N -1 3 381.436 3.817 20 0 GHADHM CCC[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)C ZINC000825225184 608152610 /nfs/dbraw/zinc/15/26/10/608152610.db2.gz NKMJMRUVRSIRFV-OAHLLOKOSA-N -1 3 383.418 3.830 20 0 GHADHM CCC[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)C ZINC000825225184 608152611 /nfs/dbraw/zinc/15/26/11/608152611.db2.gz NKMJMRUVRSIRFV-OAHLLOKOSA-N -1 3 383.418 3.830 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000825331916 608166462 /nfs/dbraw/zinc/16/64/62/608166462.db2.gz CXJWGJXWGMJBFH-UHFFFAOYSA-N -1 3 392.797 3.873 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000825788771 608173858 /nfs/dbraw/zinc/17/38/58/608173858.db2.gz VCRMRVVBIRMWNK-LLVKDONJSA-N -1 3 395.854 3.632 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000825788771 608173860 /nfs/dbraw/zinc/17/38/60/608173860.db2.gz VCRMRVVBIRMWNK-LLVKDONJSA-N -1 3 395.854 3.632 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc2sccc2c1 ZINC000825793144 608176373 /nfs/dbraw/zinc/17/63/73/608176373.db2.gz NNZNHMJMLAFJRH-UHFFFAOYSA-N -1 3 389.444 3.703 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc2sccc2c1 ZINC000825793144 608176374 /nfs/dbraw/zinc/17/63/74/608176374.db2.gz NNZNHMJMLAFJRH-UHFFFAOYSA-N -1 3 389.444 3.703 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000825225105 608180100 /nfs/dbraw/zinc/18/01/00/608180100.db2.gz LQKQAYUTKGCVGF-UHFFFAOYSA-N -1 3 390.856 3.573 20 0 GHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000825225105 608180103 /nfs/dbraw/zinc/18/01/03/608180103.db2.gz LQKQAYUTKGCVGF-UHFFFAOYSA-N -1 3 390.856 3.573 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc2cc(C)ccc2o1 ZINC000825792702 608180547 /nfs/dbraw/zinc/18/05/47/608180547.db2.gz CLQKDMWMZGSBNN-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc2cc(C)ccc2o1 ZINC000825792702 608180549 /nfs/dbraw/zinc/18/05/49/608180549.db2.gz CLQKDMWMZGSBNN-UHFFFAOYSA-N -1 3 387.403 3.543 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1sccc1C(C)C ZINC000825797177 608180564 /nfs/dbraw/zinc/18/05/64/608180564.db2.gz XFIOVIVJJYHNNH-UHFFFAOYSA-N -1 3 381.465 3.674 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1sccc1C(C)C ZINC000825797177 608180565 /nfs/dbraw/zinc/18/05/65/608180565.db2.gz XFIOVIVJJYHNNH-UHFFFAOYSA-N -1 3 381.465 3.674 20 0 GHADHM Cc1ccncc1[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826314665 608201745 /nfs/dbraw/zinc/20/17/45/608201745.db2.gz IAWURTCSJKFYHA-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccncc1[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826314665 608201747 /nfs/dbraw/zinc/20/17/47/608201747.db2.gz IAWURTCSJKFYHA-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000824755231 608206874 /nfs/dbraw/zinc/20/68/74/608206874.db2.gz KLLDZAVDBKOWQL-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000824755231 608206876 /nfs/dbraw/zinc/20/68/76/608206876.db2.gz KLLDZAVDBKOWQL-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccc(F)c(F)c1 ZINC000826420814 608208268 /nfs/dbraw/zinc/20/82/68/608208268.db2.gz DNGOZAIZFXEBDF-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000826420814 608208269 /nfs/dbraw/zinc/20/82/69/608208269.db2.gz DNGOZAIZFXEBDF-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826178334 608223724 /nfs/dbraw/zinc/22/37/24/608223724.db2.gz SXPMRICEFPEMEV-ZDUSSCGKSA-N -1 3 390.447 3.914 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826178334 608223726 /nfs/dbraw/zinc/22/37/26/608223726.db2.gz SXPMRICEFPEMEV-ZDUSSCGKSA-N -1 3 390.447 3.914 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826353931 608234794 /nfs/dbraw/zinc/23/47/94/608234794.db2.gz JRFCOKULXVYVEG-HNNXBMFYSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826353931 608234796 /nfs/dbraw/zinc/23/47/96/608234796.db2.gz JRFCOKULXVYVEG-HNNXBMFYSA-N -1 3 392.850 3.726 20 0 GHADHM CCCCCn1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(C)n1 ZINC000825281375 608236008 /nfs/dbraw/zinc/23/60/08/608236008.db2.gz BQFIUFKSIALOGX-UHFFFAOYSA-N -1 3 376.468 3.722 20 0 GHADHM CCCCCn1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c(C)n1 ZINC000825281375 608236011 /nfs/dbraw/zinc/23/60/11/608236011.db2.gz BQFIUFKSIALOGX-UHFFFAOYSA-N -1 3 376.468 3.722 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826400927 608241875 /nfs/dbraw/zinc/24/18/75/608241875.db2.gz LDUVBNGLHMEUMF-QHHAFSJGSA-N -1 3 396.357 3.601 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826400927 608241876 /nfs/dbraw/zinc/24/18/76/608241876.db2.gz LDUVBNGLHMEUMF-QHHAFSJGSA-N -1 3 396.357 3.601 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825194209 608260365 /nfs/dbraw/zinc/26/03/65/608260365.db2.gz PNHCVTWEVLFNRB-CJNGLKHVSA-N -1 3 393.451 3.849 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824450765 608264910 /nfs/dbraw/zinc/26/49/10/608264910.db2.gz ZJNNFLRQCZGTKX-VIFPVBQESA-N -1 3 392.282 3.508 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824450765 608264912 /nfs/dbraw/zinc/26/49/12/608264912.db2.gz ZJNNFLRQCZGTKX-VIFPVBQESA-N -1 3 392.282 3.508 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1OC ZINC000826178281 608274399 /nfs/dbraw/zinc/27/43/99/608274399.db2.gz QUAIGWBFPFXAMX-ZDUSSCGKSA-N -1 3 394.479 3.639 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1OC ZINC000826178281 608274400 /nfs/dbraw/zinc/27/44/00/608274400.db2.gz QUAIGWBFPFXAMX-ZDUSSCGKSA-N -1 3 394.479 3.639 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824047153 608285984 /nfs/dbraw/zinc/28/59/84/608285984.db2.gz YFBKOXTWICECMV-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824047153 608285985 /nfs/dbraw/zinc/28/59/85/608285985.db2.gz YFBKOXTWICECMV-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825733364 608289968 /nfs/dbraw/zinc/28/99/68/608289968.db2.gz DLPACSBDZFRBAS-JTQLQIEISA-N -1 3 387.900 3.525 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825733364 608289970 /nfs/dbraw/zinc/28/99/70/608289970.db2.gz DLPACSBDZFRBAS-JTQLQIEISA-N -1 3 387.900 3.525 20 0 GHADHM Cc1cncc(C=CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826318974 608305499 /nfs/dbraw/zinc/30/54/99/608305499.db2.gz JABWEQHENGLVNM-DHZHZOJOSA-N -1 3 396.454 3.567 20 0 GHADHM Cc1cncc(C=CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826318974 608305502 /nfs/dbraw/zinc/30/55/02/608305502.db2.gz JABWEQHENGLVNM-DHZHZOJOSA-N -1 3 396.454 3.567 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824520710 608312667 /nfs/dbraw/zinc/31/26/67/608312667.db2.gz BVWDWDMJFNLGKF-RYUDHWBXSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824520710 608312668 /nfs/dbraw/zinc/31/26/68/608312668.db2.gz BVWDWDMJFNLGKF-RYUDHWBXSA-N -1 3 389.381 3.808 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccc2[nH]ccc21 ZINC000826440854 608330210 /nfs/dbraw/zinc/33/02/10/608330210.db2.gz CXCWAFDQZHMQDF-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccc2[nH]ccc21 ZINC000826440854 608330212 /nfs/dbraw/zinc/33/02/12/608330212.db2.gz CXCWAFDQZHMQDF-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM CCN(C(=O)CCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371769 608343911 /nfs/dbraw/zinc/34/39/11/608343911.db2.gz KXOSHQLAUNYNGJ-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM CCN(C(=O)CCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371769 608343913 /nfs/dbraw/zinc/34/39/13/608343913.db2.gz KXOSHQLAUNYNGJ-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM Cc1ccccc1-c1noc(CSCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826304932 608404201 /nfs/dbraw/zinc/40/42/01/608404201.db2.gz DWJLZDDODPSIJE-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1-c1noc(CSCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826304932 608404203 /nfs/dbraw/zinc/40/42/03/608404203.db2.gz DWJLZDDODPSIJE-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cccc(-c3nnn[n-]3)c2F)no1 ZINC000826307746 608404682 /nfs/dbraw/zinc/40/46/82/608404682.db2.gz VAVZKUUJQQIZIH-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cccc(-c3nn[n-]n3)c2F)no1 ZINC000826307746 608404684 /nfs/dbraw/zinc/40/46/84/608404684.db2.gz VAVZKUUJQQIZIH-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCCC1 ZINC000824491600 608413676 /nfs/dbraw/zinc/41/36/76/608413676.db2.gz VPFRYKBXWNCQBY-OAHLLOKOSA-N -1 3 380.496 3.634 20 0 GHADHM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCCC1 ZINC000824491600 608413678 /nfs/dbraw/zinc/41/36/78/608413678.db2.gz VPFRYKBXWNCQBY-OAHLLOKOSA-N -1 3 380.496 3.634 20 0 GHADHM CCN(C(=O)CCC(=O)c1cccc(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371784 608445973 /nfs/dbraw/zinc/44/59/73/608445973.db2.gz LMTSNVQXOCHGQB-CQSZACIVSA-N -1 3 395.438 3.578 20 0 GHADHM CCN(C(=O)CCC(=O)c1cccc(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371784 608445975 /nfs/dbraw/zinc/44/59/75/608445975.db2.gz LMTSNVQXOCHGQB-CQSZACIVSA-N -1 3 395.438 3.578 20 0 GHADHM CCCCc1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000825296843 608463796 /nfs/dbraw/zinc/46/37/96/608463796.db2.gz XKWZCHUBOYKVRN-UHFFFAOYSA-N -1 3 380.521 3.955 20 0 GHADHM CCCCc1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000825296843 608463798 /nfs/dbraw/zinc/46/37/98/608463798.db2.gz XKWZCHUBOYKVRN-UHFFFAOYSA-N -1 3 380.521 3.955 20 0 GHADHM O=C(CCc1cc(Cl)cs1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826408300 608479069 /nfs/dbraw/zinc/47/90/69/608479069.db2.gz ZZNYNXAVMKRYOW-UHFFFAOYSA-N -1 3 399.907 3.830 20 0 GHADHM O=C(CCc1cc(Cl)cs1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826408300 608479070 /nfs/dbraw/zinc/47/90/70/608479070.db2.gz ZZNYNXAVMKRYOW-UHFFFAOYSA-N -1 3 399.907 3.830 20 0 GHADHM CC(C)(Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824162615 608485964 /nfs/dbraw/zinc/48/59/64/608485964.db2.gz JQWDTMKSDZUWDS-UHFFFAOYSA-N -1 3 387.487 3.751 20 0 GHADHM CC(C)(Cc1ccccc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824162615 608485965 /nfs/dbraw/zinc/48/59/65/608485965.db2.gz JQWDTMKSDZUWDS-UHFFFAOYSA-N -1 3 387.487 3.751 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000823944168 608486144 /nfs/dbraw/zinc/48/61/44/608486144.db2.gz ZHBMFCXBSZRPDN-SQFISAMPSA-N -1 3 389.434 3.725 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(F)c1 ZINC000823944168 608486145 /nfs/dbraw/zinc/48/61/45/608486145.db2.gz ZHBMFCXBSZRPDN-SQFISAMPSA-N -1 3 389.434 3.725 20 0 GHADHM COC[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cccc(C(F)(F)F)c1 ZINC000826150599 608535288 /nfs/dbraw/zinc/53/52/88/608535288.db2.gz HWYVYMJKUJZVQU-OAHLLOKOSA-N -1 3 395.360 3.502 20 0 GHADHM COC[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1cccc(C(F)(F)F)c1 ZINC000826150599 608535289 /nfs/dbraw/zinc/53/52/89/608535289.db2.gz HWYVYMJKUJZVQU-OAHLLOKOSA-N -1 3 395.360 3.502 20 0 GHADHM CC1(c2cccc(Br)c2)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824844022 608553333 /nfs/dbraw/zinc/55/33/33/608553333.db2.gz MPLDKHOPHGAITG-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM CC1(c2cccc(Br)c2)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824844022 608553334 /nfs/dbraw/zinc/55/33/34/608553334.db2.gz MPLDKHOPHGAITG-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(F)c1F ZINC000824612935 608555987 /nfs/dbraw/zinc/55/59/87/608555987.db2.gz PYZOELNQLGSVLW-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(F)c1F ZINC000824612935 608555989 /nfs/dbraw/zinc/55/59/89/608555989.db2.gz PYZOELNQLGSVLW-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM Fc1ccc(COC2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000826374594 608560610 /nfs/dbraw/zinc/56/06/10/608560610.db2.gz FHEVHQKJHUPOCN-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccc(COC2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000826374594 608560612 /nfs/dbraw/zinc/56/06/12/608560612.db2.gz FHEVHQKJHUPOCN-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000824285045 608589960 /nfs/dbraw/zinc/58/99/60/608589960.db2.gz UROUQTLLJMTISO-ZDUSSCGKSA-N -1 3 380.452 3.515 20 0 GHADHM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000824285045 608589961 /nfs/dbraw/zinc/58/99/61/608589961.db2.gz UROUQTLLJMTISO-ZDUSSCGKSA-N -1 3 380.452 3.515 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[C@H]1C ZINC000824938612 608597159 /nfs/dbraw/zinc/59/71/59/608597159.db2.gz VWNZXECNCBGIIL-KBPBESRZSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[C@H]1C ZINC000824938612 608597162 /nfs/dbraw/zinc/59/71/62/608597162.db2.gz VWNZXECNCBGIIL-KBPBESRZSA-N -1 3 393.451 3.706 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826455689 608606678 /nfs/dbraw/zinc/60/66/78/608606678.db2.gz ZNWNUHRWVRXKII-UHFFFAOYSA-N -1 3 383.411 3.816 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826455689 608606679 /nfs/dbraw/zinc/60/66/79/608606679.db2.gz ZNWNUHRWVRXKII-UHFFFAOYSA-N -1 3 383.411 3.816 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C1CC1 ZINC000824284119 608666620 /nfs/dbraw/zinc/66/66/20/608666620.db2.gz BQNMCJTYADIUQV-UHFFFAOYSA-N -1 3 385.859 3.502 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C1CC1 ZINC000824284119 608666621 /nfs/dbraw/zinc/66/66/21/608666621.db2.gz BQNMCJTYADIUQV-UHFFFAOYSA-N -1 3 385.859 3.502 20 0 GHADHM Clc1ccc([C@@H]2CSCCN2Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826351617 608714313 /nfs/dbraw/zinc/71/43/13/608714313.db2.gz SWACFFSSSMEQOB-HNNXBMFYSA-N -1 3 377.926 3.872 20 0 GHADHM Clc1ccc([C@@H]2CSCCN2Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826351617 608714314 /nfs/dbraw/zinc/71/43/14/608714314.db2.gz SWACFFSSSMEQOB-HNNXBMFYSA-N -1 3 377.926 3.872 20 0 GHADHM COc1ccccc1COC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826220176 608799627 /nfs/dbraw/zinc/79/96/27/608799627.db2.gz FKSRFYPUSAOCRZ-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM COc1ccccc1COC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826220176 608799629 /nfs/dbraw/zinc/79/96/29/608799629.db2.gz FKSRFYPUSAOCRZ-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826213742 608819784 /nfs/dbraw/zinc/81/97/84/608819784.db2.gz KSYPLNPDIBMQNF-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826213742 608819788 /nfs/dbraw/zinc/81/97/88/608819788.db2.gz KSYPLNPDIBMQNF-CYBMUJFWSA-N -1 3 389.415 3.650 20 0 GHADHM Clc1cc(Cl)cc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826351068 608854968 /nfs/dbraw/zinc/85/49/68/608854968.db2.gz WEZOIIWIQXLBMF-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1cc(Cl)cc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826351068 608854969 /nfs/dbraw/zinc/85/49/69/608854969.db2.gz WEZOIIWIQXLBMF-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM c1c(CNc2ccc(-c3nn[n-]n3)cc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000826520049 608869589 /nfs/dbraw/zinc/86/95/89/608869589.db2.gz YYDHQUZAEMTREE-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM C[C@@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC12CCC2 ZINC000824956065 608882555 /nfs/dbraw/zinc/88/25/55/608882555.db2.gz PYUOGBXWOVEXAM-LLVKDONJSA-N -1 3 376.917 3.729 20 0 GHADHM C[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC12CCC2 ZINC000824956065 608882559 /nfs/dbraw/zinc/88/25/59/608882559.db2.gz PYUOGBXWOVEXAM-LLVKDONJSA-N -1 3 376.917 3.729 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000825957565 608887868 /nfs/dbraw/zinc/88/78/68/608887868.db2.gz CGEFRIPKCRPPRL-UHFFFAOYSA-N -1 3 381.867 3.501 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000825957565 608887870 /nfs/dbraw/zinc/88/78/70/608887870.db2.gz CGEFRIPKCRPPRL-UHFFFAOYSA-N -1 3 381.867 3.501 20 0 GHADHM C[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824537369 609137964 /nfs/dbraw/zinc/13/79/64/609137964.db2.gz DTBWTTHGPUTADK-YVEFUNNKSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824537369 609137965 /nfs/dbraw/zinc/13/79/65/609137965.db2.gz DTBWTTHGPUTADK-YVEFUNNKSA-N -1 3 380.452 3.903 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826376203 609169818 /nfs/dbraw/zinc/16/98/18/609169818.db2.gz SOCXIHNHWSHTHR-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826376203 609169820 /nfs/dbraw/zinc/16/98/20/609169820.db2.gz SOCXIHNHWSHTHR-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478334 609176877 /nfs/dbraw/zinc/17/68/77/609176877.db2.gz ZMMFFLCYODCIDF-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478334 609176879 /nfs/dbraw/zinc/17/68/79/609176879.db2.gz ZMMFFLCYODCIDF-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM Cc1occc1SCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826342462 609179328 /nfs/dbraw/zinc/17/93/28/609179328.db2.gz LPABMFVRRGMMFT-UHFFFAOYSA-N -1 3 389.506 3.829 20 0 GHADHM Cc1occc1SCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826342462 609179329 /nfs/dbraw/zinc/17/93/29/609179329.db2.gz LPABMFVRRGMMFT-UHFFFAOYSA-N -1 3 389.506 3.829 20 0 GHADHM Cc1cccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1C ZINC000826296245 609243215 /nfs/dbraw/zinc/24/32/15/609243215.db2.gz OPSIISOYFXUSIV-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1cccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1C ZINC000826296245 609243217 /nfs/dbraw/zinc/24/32/17/609243217.db2.gz OPSIISOYFXUSIV-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM CSc1cc2c(cc1N[C@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)OCCO2 ZINC000826230490 609279030 /nfs/dbraw/zinc/27/90/30/609279030.db2.gz WLFRHCYLCIEEIN-SNVBAGLBSA-N -1 3 387.440 3.672 20 0 GHADHM CSc1cc2c(cc1N[C@H](C)c1ccc(-c3nn[n-]n3)c(F)c1)OCCO2 ZINC000826230490 609279032 /nfs/dbraw/zinc/27/90/32/609279032.db2.gz WLFRHCYLCIEEIN-SNVBAGLBSA-N -1 3 387.440 3.672 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662408 609279387 /nfs/dbraw/zinc/27/93/87/609279387.db2.gz JLDMZICDQGBWII-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662408 609279388 /nfs/dbraw/zinc/27/93/88/609279388.db2.gz JLDMZICDQGBWII-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662202 609279535 /nfs/dbraw/zinc/27/95/35/609279535.db2.gz FSCWCQDSNVFBPE-ZDUSSCGKSA-N -1 3 379.855 3.938 20 0 GHADHM C[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662202 609279537 /nfs/dbraw/zinc/27/95/37/609279537.db2.gz FSCWCQDSNVFBPE-ZDUSSCGKSA-N -1 3 379.855 3.938 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824707746 609285816 /nfs/dbraw/zinc/28/58/16/609285816.db2.gz VHGDQNABQDTYMC-LLVKDONJSA-N -1 3 399.476 3.662 20 0 GHADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824707746 609285817 /nfs/dbraw/zinc/28/58/17/609285817.db2.gz VHGDQNABQDTYMC-LLVKDONJSA-N -1 3 399.476 3.662 20 0 GHADHM Cc1cc2c(cc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)OCO2 ZINC000826273004 609287496 /nfs/dbraw/zinc/28/74/96/609287496.db2.gz LGURIEDVSAINFY-UHFFFAOYSA-N -1 3 399.410 3.823 20 0 GHADHM Cc1cc2c(cc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)OCO2 ZINC000826273004 609287498 /nfs/dbraw/zinc/28/74/98/609287498.db2.gz LGURIEDVSAINFY-UHFFFAOYSA-N -1 3 399.410 3.823 20 0 GHADHM CC(=O)c1c(C)cc(C)c(CSc2nnc(C)c(C)c2-c2nnn[n-]2)c1C ZINC000824010446 609306639 /nfs/dbraw/zinc/30/66/39/609306639.db2.gz NMZMAXWJIQDFJE-UHFFFAOYSA-N -1 3 382.493 3.694 20 0 GHADHM CC(=O)c1c(C)cc(C)c(CSc2nnc(C)c(C)c2-c2nn[n-]n2)c1C ZINC000824010446 609306640 /nfs/dbraw/zinc/30/66/40/609306640.db2.gz NMZMAXWJIQDFJE-UHFFFAOYSA-N -1 3 382.493 3.694 20 0 GHADHM CC(C)n1ccnc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824377911 609307106 /nfs/dbraw/zinc/30/71/06/609307106.db2.gz SFXXDDKCVVUGJQ-UHFFFAOYSA-N -1 3 379.287 3.699 20 0 GHADHM CC(C)n1ccnc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824377911 609307107 /nfs/dbraw/zinc/30/71/07/609307107.db2.gz SFXXDDKCVVUGJQ-UHFFFAOYSA-N -1 3 379.287 3.699 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccc3c(c2)COC3)n1 ZINC000826262833 609307937 /nfs/dbraw/zinc/30/79/37/609307937.db2.gz ZSZJTVASHMALNM-UHFFFAOYSA-N -1 3 393.394 3.911 20 0 GHADHM Cc1nnc(SCCOc2cc(Cl)ccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826336834 609308553 /nfs/dbraw/zinc/30/85/53/609308553.db2.gz POVWKLBMBXLQAO-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM Cc1nnc(SCCOc2cc(Cl)ccc2Cl)c(-c2nn[n-]n2)c1C ZINC000826336834 609308555 /nfs/dbraw/zinc/30/85/55/609308555.db2.gz POVWKLBMBXLQAO-UHFFFAOYSA-N -1 3 397.291 3.751 20 0 GHADHM Clc1ccc(SCc2ccc(-c3nnn[n-]3)cc2Br)nc1 ZINC000826352593 609309645 /nfs/dbraw/zinc/30/96/45/609309645.db2.gz HCYICDFIMKBHOC-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1ccc(SCc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826352593 609309646 /nfs/dbraw/zinc/30/96/46/609309646.db2.gz HCYICDFIMKBHOC-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000826154934 609314661 /nfs/dbraw/zinc/31/46/61/609314661.db2.gz AWCCRZKIEIOUQW-GFCCVEGCSA-N -1 3 397.504 3.695 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000826154934 609314662 /nfs/dbraw/zinc/31/46/62/609314662.db2.gz AWCCRZKIEIOUQW-GFCCVEGCSA-N -1 3 397.504 3.695 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000826452914 609316939 /nfs/dbraw/zinc/31/69/39/609316939.db2.gz OBMBFYZHUNLQFO-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000826452914 609316941 /nfs/dbraw/zinc/31/69/41/609316941.db2.gz OBMBFYZHUNLQFO-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)Oc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000824324763 609319385 /nfs/dbraw/zinc/31/93/85/609319385.db2.gz UVBMZYJLWPWAEK-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CCOc1cc2c(cc1CN[C@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000825616135 609323449 /nfs/dbraw/zinc/32/34/49/609323449.db2.gz XRTGEANAKQDBGR-CHWSQXEVSA-N -1 3 397.454 3.579 20 0 GHADHM CCOc1cc2c(cc1CN[C@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000825616135 609323451 /nfs/dbraw/zinc/32/34/51/609323451.db2.gz XRTGEANAKQDBGR-CHWSQXEVSA-N -1 3 397.454 3.579 20 0 GHADHM Cc1csc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826321250 609325743 /nfs/dbraw/zinc/32/57/43/609325743.db2.gz XDZNWEPZOZGGJD-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1csc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826321250 609325745 /nfs/dbraw/zinc/32/57/45/609325745.db2.gz XDZNWEPZOZGGJD-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cn1cc(CNc2ccc(F)c(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361616 609337942 /nfs/dbraw/zinc/33/79/42/609337942.db2.gz FTAKSVVNDPGELP-UHFFFAOYSA-N -1 3 383.818 3.672 20 0 GHADHM Cn1cc(CNc2ccc(F)c(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361616 609337944 /nfs/dbraw/zinc/33/79/44/609337944.db2.gz FTAKSVVNDPGELP-UHFFFAOYSA-N -1 3 383.818 3.672 20 0 GHADHM Cc1c(NCc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1cc(C)ccc1C ZINC000826283935 609344799 /nfs/dbraw/zinc/34/47/99/609344799.db2.gz FUDZUDOGUNJDMM-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM Cc1c(NCc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1cc(C)ccc1C ZINC000826283935 609344801 /nfs/dbraw/zinc/34/48/01/609344801.db2.gz FUDZUDOGUNJDMM-UHFFFAOYSA-N -1 3 377.427 3.729 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@H](C)C2 ZINC000825621146 609349404 /nfs/dbraw/zinc/34/94/04/609349404.db2.gz NQDGZDDNMHKKSY-NEPJUHHUSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@H](C)C2 ZINC000825621146 609349406 /nfs/dbraw/zinc/34/94/06/609349406.db2.gz NQDGZDDNMHKKSY-NEPJUHHUSA-N -1 3 383.427 3.901 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826286061 609356378 /nfs/dbraw/zinc/35/63/78/609356378.db2.gz RDDGNAJNZMEUDQ-YSSFQJQWSA-N -1 3 392.459 3.947 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826286061 609356381 /nfs/dbraw/zinc/35/63/81/609356381.db2.gz RDDGNAJNZMEUDQ-YSSFQJQWSA-N -1 3 392.459 3.947 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(F)c(F)c1 ZINC000824612989 609367864 /nfs/dbraw/zinc/36/78/64/609367864.db2.gz QPLQJWFIVOFXQC-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182434 609370369 /nfs/dbraw/zinc/37/03/69/609370369.db2.gz JAPFCSCYRDCKSK-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182434 609370370 /nfs/dbraw/zinc/37/03/70/609370370.db2.gz JAPFCSCYRDCKSK-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM Cc1sc(NC(=O)c2ccc(OC3CCCC3)nc2)c(-c2nnn[n-]2)c1C ZINC000826350031 609372116 /nfs/dbraw/zinc/37/21/16/609372116.db2.gz FJYAXYYFNCGRLG-UHFFFAOYSA-N -1 3 384.465 3.514 20 0 GHADHM Cc1sc(NC(=O)c2ccc(OC3CCCC3)nc2)c(-c2nn[n-]n2)c1C ZINC000826350031 609372118 /nfs/dbraw/zinc/37/21/18/609372118.db2.gz FJYAXYYFNCGRLG-UHFFFAOYSA-N -1 3 384.465 3.514 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367427 609375875 /nfs/dbraw/zinc/37/58/75/609375875.db2.gz PWCPNKLKRQHDIG-FRQCXROJSA-N -1 3 385.512 3.618 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367427 609375878 /nfs/dbraw/zinc/37/58/78/609375878.db2.gz PWCPNKLKRQHDIG-FRQCXROJSA-N -1 3 385.512 3.618 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824946120 609378816 /nfs/dbraw/zinc/37/88/16/609378816.db2.gz HRKMZWBGGCKZCQ-CXAGYDPISA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824946120 609378817 /nfs/dbraw/zinc/37/88/17/609378817.db2.gz HRKMZWBGGCKZCQ-CXAGYDPISA-N -1 3 396.426 3.871 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000825107278 609382875 /nfs/dbraw/zinc/38/28/75/609382875.db2.gz NTCXTQMMWWKNNT-CJNGLKHVSA-N -1 3 392.891 3.625 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000825107278 609382877 /nfs/dbraw/zinc/38/28/77/609382877.db2.gz NTCXTQMMWWKNNT-CJNGLKHVSA-N -1 3 392.891 3.625 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CCO1 ZINC000826369299 609411015 /nfs/dbraw/zinc/41/10/15/609411015.db2.gz WVAJUQLPEACHDX-HNNXBMFYSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)CCO1 ZINC000826369299 609411017 /nfs/dbraw/zinc/41/10/17/609411017.db2.gz WVAJUQLPEACHDX-HNNXBMFYSA-N -1 3 395.410 3.521 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccs1 ZINC000824753446 609420999 /nfs/dbraw/zinc/42/09/99/609420999.db2.gz DCRKSPWANOOQEP-BLLLJJGKSA-N -1 3 385.518 3.918 20 0 GHADHM C[C@H](S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccs1 ZINC000824753446 609421000 /nfs/dbraw/zinc/42/10/00/609421000.db2.gz DCRKSPWANOOQEP-BLLLJJGKSA-N -1 3 385.518 3.918 20 0 GHADHM CCc1csc([C@H]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)n1 ZINC000825739219 609425329 /nfs/dbraw/zinc/42/53/29/609425329.db2.gz BRCOWVWWTUCJET-ZDUSSCGKSA-N -1 3 391.504 3.818 20 0 GHADHM CCc1csc([C@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)n1 ZINC000825739219 609425331 /nfs/dbraw/zinc/42/53/31/609425331.db2.gz BRCOWVWWTUCJET-ZDUSSCGKSA-N -1 3 391.504 3.818 20 0 GHADHM C[C@@H](NC(=O)NCc1ccco1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499059 609441409 /nfs/dbraw/zinc/44/14/09/609441409.db2.gz NEIPKIWFACYPHJ-CQSZACIVSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@@H](NC(=O)NCc1ccco1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499059 609441411 /nfs/dbraw/zinc/44/14/11/609441411.db2.gz NEIPKIWFACYPHJ-CQSZACIVSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCCC[C@@H]21 ZINC000824977608 609443897 /nfs/dbraw/zinc/44/38/97/609443897.db2.gz RMNJJILWASTCTF-IXPVHAAZSA-N -1 3 376.917 3.727 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCCC[C@@H]21 ZINC000824977608 609443899 /nfs/dbraw/zinc/44/38/99/609443899.db2.gz RMNJJILWASTCTF-IXPVHAAZSA-N -1 3 376.917 3.727 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)C1 ZINC000824926630 609449911 /nfs/dbraw/zinc/44/99/11/609449911.db2.gz KLFDLCDMJVCSMR-GUYCJALGSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)C1 ZINC000824926630 609449913 /nfs/dbraw/zinc/44/99/13/609449913.db2.gz KLFDLCDMJVCSMR-GUYCJALGSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H](NC(=O)N1CCCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490936 609454736 /nfs/dbraw/zinc/45/47/36/609454736.db2.gz RNUQORTVOWYEBN-HNNXBMFYSA-N -1 3 376.464 3.790 20 0 GHADHM C[C@H](NC(=O)N1CCCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490936 609454737 /nfs/dbraw/zinc/45/47/37/609454737.db2.gz RNUQORTVOWYEBN-HNNXBMFYSA-N -1 3 376.464 3.790 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824000047 609475038 /nfs/dbraw/zinc/47/50/38/609475038.db2.gz RXCRFKBEHNMGLY-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824000047 609475040 /nfs/dbraw/zinc/47/50/40/609475040.db2.gz RXCRFKBEHNMGLY-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM Oc1cccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)c1 ZINC000826511617 609484782 /nfs/dbraw/zinc/48/47/82/609484782.db2.gz XRLFUAKTRAWKPK-UHFFFAOYSA-N -1 3 391.406 3.903 20 0 GHADHM Oc1cccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)c1 ZINC000826511617 609484783 /nfs/dbraw/zinc/48/47/83/609484783.db2.gz XRLFUAKTRAWKPK-UHFFFAOYSA-N -1 3 391.406 3.903 20 0 GHADHM CCc1nnc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)s1 ZINC000825766613 609487983 /nfs/dbraw/zinc/48/79/83/609487983.db2.gz BHXDXZCNKKRBCV-UHFFFAOYSA-N -1 3 381.490 3.635 20 0 GHADHM CCc1nnc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)s1 ZINC000825766613 609487984 /nfs/dbraw/zinc/48/79/84/609487984.db2.gz BHXDXZCNKKRBCV-UHFFFAOYSA-N -1 3 381.490 3.635 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cnc(C3CCC3)s2)cc1-c1nnn[n-]1 ZINC000825553448 609490494 /nfs/dbraw/zinc/49/04/94/609490494.db2.gz QGNGVINQLUGNCW-UHFFFAOYSA-N -1 3 399.480 3.771 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cnc(C3CCC3)s2)cc1-c1nn[n-]n1 ZINC000825553448 609490495 /nfs/dbraw/zinc/49/04/95/609490495.db2.gz QGNGVINQLUGNCW-UHFFFAOYSA-N -1 3 399.480 3.771 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1ccccc1 ZINC000826231678 609490750 /nfs/dbraw/zinc/49/07/50/609490750.db2.gz VOSODTVRLPPFFP-CYBMUJFWSA-N -1 3 389.381 3.561 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1ccccc1 ZINC000826231678 609490753 /nfs/dbraw/zinc/49/07/53/609490753.db2.gz VOSODTVRLPPFFP-CYBMUJFWSA-N -1 3 389.381 3.561 20 0 GHADHM Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826332964 609491748 /nfs/dbraw/zinc/49/17/48/609491748.db2.gz ONRLCAYZAZTLAL-UHFFFAOYSA-N -1 3 383.500 3.834 20 0 GHADHM Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826332964 609491749 /nfs/dbraw/zinc/49/17/49/609491749.db2.gz ONRLCAYZAZTLAL-UHFFFAOYSA-N -1 3 383.500 3.834 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc3ccc(Cl)cn23)cc1-c1nnn[n-]1 ZINC000824329385 609492540 /nfs/dbraw/zinc/49/25/40/609492540.db2.gz OFILAQBDHBCADQ-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc3ccc(Cl)cn23)cc1-c1nn[n-]n1 ZINC000824329385 609492543 /nfs/dbraw/zinc/49/25/43/609492543.db2.gz OFILAQBDHBCADQ-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Cl)c2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826237069 609504971 /nfs/dbraw/zinc/50/49/71/609504971.db2.gz MWAZSYWRSDEHCL-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(Cl)c2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826237069 609504973 /nfs/dbraw/zinc/50/49/73/609504973.db2.gz MWAZSYWRSDEHCL-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826453602 609516288 /nfs/dbraw/zinc/51/62/88/609516288.db2.gz RBLJNFRIKLELCV-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826453602 609516290 /nfs/dbraw/zinc/51/62/90/609516290.db2.gz RBLJNFRIKLELCV-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826239145 609530943 /nfs/dbraw/zinc/53/09/43/609530943.db2.gz YVYBNFHUXPGWRG-SECBINFHSA-N -1 3 380.786 3.998 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826239145 609530946 /nfs/dbraw/zinc/53/09/46/609530946.db2.gz YVYBNFHUXPGWRG-SECBINFHSA-N -1 3 380.786 3.998 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826310871 609538270 /nfs/dbraw/zinc/53/82/70/609538270.db2.gz LJBRLNHIBBVASP-AWEZNQCLSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N2CCC[C@H]2c2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826310871 609538271 /nfs/dbraw/zinc/53/82/71/609538271.db2.gz LJBRLNHIBBVASP-AWEZNQCLSA-N -1 3 385.269 3.674 20 0 GHADHM COc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000826204192 609548555 /nfs/dbraw/zinc/54/85/55/609548555.db2.gz AZRFTOTUJHDLHD-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM COc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000826204192 609548557 /nfs/dbraw/zinc/54/85/57/609548557.db2.gz AZRFTOTUJHDLHD-UHFFFAOYSA-N -1 3 380.452 3.512 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826238601 609575839 /nfs/dbraw/zinc/57/58/39/609575839.db2.gz KICZSMCHFAFSEM-GFCCVEGCSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826238601 609575841 /nfs/dbraw/zinc/57/58/41/609575841.db2.gz KICZSMCHFAFSEM-GFCCVEGCSA-N -1 3 380.843 3.582 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3ccc(-c4nnn[n-]4)c(Cl)c3)n2)cc1 ZINC000826373179 609589048 /nfs/dbraw/zinc/58/90/48/609589048.db2.gz CHMUQCOXPIGIIF-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3ccc(-c4nn[n-]n4)c(Cl)c3)n2)cc1 ZINC000826373179 609589051 /nfs/dbraw/zinc/58/90/51/609589051.db2.gz CHMUQCOXPIGIIF-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824488996 609595058 /nfs/dbraw/zinc/59/50/58/609595058.db2.gz HYFLFMCNOLHHSA-SJNKJOBJSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488996 609595059 /nfs/dbraw/zinc/59/50/59/609595059.db2.gz HYFLFMCNOLHHSA-SJNKJOBJSA-N -1 3 388.475 3.815 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1SCCc2sccc21 ZINC000826465470 609615482 /nfs/dbraw/zinc/61/54/82/609615482.db2.gz OLDSSSRCZXGTPZ-AWEZNQCLSA-N -1 3 392.893 3.655 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1SCCc2sccc21 ZINC000826465470 609615483 /nfs/dbraw/zinc/61/54/83/609615483.db2.gz OLDSSSRCZXGTPZ-AWEZNQCLSA-N -1 3 392.893 3.655 20 0 GHADHM CC(C)(C)c1nc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000824142491 609616714 /nfs/dbraw/zinc/61/67/14/609616714.db2.gz VCUZEMGIKQTSMY-UHFFFAOYSA-N -1 3 391.884 3.560 20 0 GHADHM CC(C)(C)c1nc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000824142491 609616715 /nfs/dbraw/zinc/61/67/15/609616715.db2.gz VCUZEMGIKQTSMY-UHFFFAOYSA-N -1 3 391.884 3.560 20 0 GHADHM CC(C)(C)c1nc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000824141450 609618286 /nfs/dbraw/zinc/61/82/86/609618286.db2.gz HHLOUYNFFYDHDP-UHFFFAOYSA-N -1 3 377.857 3.631 20 0 GHADHM CC(C)(C)c1nc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000824141450 609618287 /nfs/dbraw/zinc/61/82/87/609618287.db2.gz HHLOUYNFFYDHDP-UHFFFAOYSA-N -1 3 377.857 3.631 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713486 609630079 /nfs/dbraw/zinc/63/00/79/609630079.db2.gz ISCVCORDVCCDJG-SCLBCKFNSA-N -1 3 380.448 3.502 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713486 609630080 /nfs/dbraw/zinc/63/00/80/609630080.db2.gz ISCVCORDVCCDJG-SCLBCKFNSA-N -1 3 380.448 3.502 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)c(C)c1 ZINC000063443792 837493694 /nfs/dbraw/zinc/49/36/94/837493694.db2.gz VFMOLQNBFPYNIG-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000431793345 837550696 /nfs/dbraw/zinc/55/06/96/837550696.db2.gz GUGZAANHZSAMIH-UHFFFAOYSA-N -1 3 386.390 3.903 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3oc(-c4ccccc4)cc3C2)c(=O)[n-]1 ZINC000650239830 837559314 /nfs/dbraw/zinc/55/93/14/837559314.db2.gz COGBTBYDVISYSE-UHFFFAOYSA-N -1 3 377.444 3.577 20 0 GHADHM O=S(=O)(CCC1Cc2ccccc2C1)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000655676615 837590250 /nfs/dbraw/zinc/59/02/50/837590250.db2.gz AWTVVTKGBOTFQD-OAQYLSRUSA-N -1 3 396.512 3.683 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000173274449 837675255 /nfs/dbraw/zinc/67/52/55/837675255.db2.gz DGGVBJFINSFJGH-NRFANRHFSA-N -1 3 397.434 3.902 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cccc3n[n-]nc32)c2ccc(F)cc2)cc1 ZINC000187472381 837760120 /nfs/dbraw/zinc/76/01/20/837760120.db2.gz CYSZPSNOBZLGSD-LJQANCHMSA-N -1 3 376.391 3.625 20 0 GHADHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc2s1 ZINC000583472862 834450518 /nfs/dbraw/zinc/45/05/18/834450518.db2.gz HRZVCEQAKCYTGI-UHFFFAOYSA-N -1 3 396.456 3.914 20 0 GHADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C1CC1 ZINC001167048547 834491297 /nfs/dbraw/zinc/49/12/97/834491297.db2.gz OLVIIWRZXLUDRO-LJQANCHMSA-N -1 3 398.459 3.580 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc4c3CCCC4)CCCCCC2)no1 ZINC000748055150 834528532 /nfs/dbraw/zinc/52/85/32/834528532.db2.gz YPCZBUBEHJLJNH-UHFFFAOYSA-N -1 3 389.521 3.785 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)cc1 ZINC000044818940 834689698 /nfs/dbraw/zinc/68/96/98/834689698.db2.gz BRPPYASBSKJTGU-UHFFFAOYSA-N -1 3 398.488 3.895 20 0 GHADHM CC(C)(C(=O)N=c1[nH][n-]cc1Br)c1csc(-c2cccs2)n1 ZINC000583580422 834700021 /nfs/dbraw/zinc/70/00/21/834700021.db2.gz KHYGLKOOIRVMIR-UHFFFAOYSA-N -1 3 397.323 3.695 20 0 GHADHM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(CC)c1[O-] ZINC000093912645 834710126 /nfs/dbraw/zinc/71/01/26/834710126.db2.gz HEYLYHDVFQVTCR-UHFFFAOYSA-N -1 3 399.878 3.897 20 0 GHADHM CSCCCCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001211491482 834786669 /nfs/dbraw/zinc/78/66/69/834786669.db2.gz MGYDLSPVJYWDFS-UHFFFAOYSA-N -1 3 389.436 3.926 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000146547615 834825734 /nfs/dbraw/zinc/82/57/34/834825734.db2.gz AFQQGGHWVQKSBU-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)CCC(C)(C)C ZINC001211592533 834827568 /nfs/dbraw/zinc/82/75/68/834827568.db2.gz SINXGFIGJHCIFV-LJQANCHMSA-N -1 3 391.533 3.670 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc4nc(C)ccc4o3)s2)c1 ZINC000171728264 835057155 /nfs/dbraw/zinc/05/71/55/835057155.db2.gz XSKADULIRUXWSY-UHFFFAOYSA-N -1 3 380.429 3.839 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163706322 844013243 /nfs/dbraw/zinc/01/32/43/844013243.db2.gz AGYDALNQCQPOSV-UHFFFAOYSA-N -1 3 383.423 3.961 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(c4ccncc4)CC3)cc2)cc(=O)[n-]1 ZINC000683209824 835158457 /nfs/dbraw/zinc/15/84/57/835158457.db2.gz KBBGMWUOZSTUKK-UHFFFAOYSA-N -1 3 389.459 3.964 20 0 GHADHM O=c1cc(C[S@](=O)Cc2csc(-c3ccsc3)n2)nc(C2CC2)[n-]1 ZINC000583860787 835160411 /nfs/dbraw/zinc/16/04/11/835160411.db2.gz KRZJSRFHSVPGIB-DEOSSOPVSA-N -1 3 377.516 3.694 20 0 GHADHM CCOc1ccc(-c2csc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)cc1 ZINC000433344397 844030112 /nfs/dbraw/zinc/03/01/12/844030112.db2.gz RLUKDDUZOIKKJM-UHFFFAOYSA-N -1 3 383.408 3.872 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)[n-]n1 ZINC000183283014 835276487 /nfs/dbraw/zinc/27/64/87/835276487.db2.gz GDDFJCBGIWRDAT-UHFFFAOYSA-N -1 3 396.881 3.986 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)n[n-]1 ZINC000183283014 835276494 /nfs/dbraw/zinc/27/64/94/835276494.db2.gz GDDFJCBGIWRDAT-UHFFFAOYSA-N -1 3 396.881 3.986 20 0 GHADHM COC(=O)c1ccnc(-c2nc(=O)c3c([n-]2)sc(C)c3-c2ccccc2)c1 ZINC000151352216 835393630 /nfs/dbraw/zinc/39/36/30/835393630.db2.gz NTGRTKBJXVSIAZ-UHFFFAOYSA-N -1 3 377.425 3.809 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000548861704 835489714 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Cc1ccc(CN(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000429945027 844082138 /nfs/dbraw/zinc/08/21/38/844082138.db2.gz HWNGLCWGLWDGAN-UHFFFAOYSA-N -1 3 379.283 3.553 20 0 GHADHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc(Br)c1O ZINC000276943371 844100220 /nfs/dbraw/zinc/10/02/20/844100220.db2.gz CTOQLBZWTQABDO-LBPRGKRZSA-N -1 3 386.267 3.530 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000109364740 835893240 /nfs/dbraw/zinc/89/32/40/835893240.db2.gz GFDWSMMIEIHKKW-BBRMVZONSA-N -1 3 389.293 3.720 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)[nH][n-]1 ZINC000547745900 835981437 /nfs/dbraw/zinc/98/14/37/835981437.db2.gz YZPWFKQRWNYABJ-FZMZJTMJSA-N -1 3 389.883 3.741 20 0 GHADHM CC1(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000473276890 844141712 /nfs/dbraw/zinc/14/17/12/844141712.db2.gz AEJOYGXGHUHAAT-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM COc1ccc(COc2cccc(F)c2)cc1NC(=O)NCc1ncccc1[O-] ZINC000471249023 836344711 /nfs/dbraw/zinc/34/47/11/836344711.db2.gz HYOWAQZEMSUADV-UHFFFAOYSA-N -1 3 397.406 3.836 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429977352 844155087 /nfs/dbraw/zinc/15/50/87/844155087.db2.gz APSILOUHVCUXCV-TYNCELHUSA-N -1 3 377.286 3.704 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4c3CCCC4)cc2)CCO1 ZINC000748094366 836459971 /nfs/dbraw/zinc/45/99/71/836459971.db2.gz BOYGABOMXJOZBT-MRXNPFEDSA-N -1 3 386.517 3.591 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)c2)n1 ZINC000174650791 836518071 /nfs/dbraw/zinc/51/80/71/836518071.db2.gz VWAZFIQORPTHML-HYBUGGRVSA-N -1 3 385.467 3.842 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000174679486 836524568 /nfs/dbraw/zinc/52/45/68/836524568.db2.gz QOGCOHWXIPQZND-INIZCTEOSA-N -1 3 392.377 3.740 20 0 GHADHM O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1ccc([O-])c(Br)c1 ZINC000180197102 836652460 /nfs/dbraw/zinc/65/24/60/836652460.db2.gz ZZVQPOMTTCWZGY-HNNXBMFYSA-N -1 3 384.657 3.548 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(Br)c(Cl)c2)n1 ZINC000636111265 836694168 /nfs/dbraw/zinc/69/41/68/836694168.db2.gz RCANVXBYUPRCPT-UHFFFAOYSA-N -1 3 398.688 3.501 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1ccc2ncccc2c1 ZINC000175316268 836766735 /nfs/dbraw/zinc/76/67/35/836766735.db2.gz RXHDOMKGIORMHO-UHFFFAOYSA-N -1 3 383.333 3.794 20 0 GHADHM C[C@@H](SCC(=O)NC1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000253612658 844210419 /nfs/dbraw/zinc/21/04/19/844210419.db2.gz JEBQBAVSRWMAFG-SECBINFHSA-N -1 3 375.475 3.730 20 0 GHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000175555175 836879067 /nfs/dbraw/zinc/87/90/67/836879067.db2.gz ZNCCIRCQHBZNQT-MRXNPFEDSA-N -1 3 392.377 3.740 20 0 GHADHM COc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(Cl)c(OC)c1 ZINC000413963758 836950733 /nfs/dbraw/zinc/95/07/33/836950733.db2.gz XNOUHZFXAKNJBN-UHFFFAOYSA-N -1 3 379.844 3.711 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C/c2ccccc2F)cc1OC ZINC000175712354 836955295 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O=S(=O)([N-][C@@H]1CC=CCC1)c1csc(-c2cccc(Br)c2)n1 ZINC000605593840 837976823 /nfs/dbraw/zinc/97/68/23/837976823.db2.gz ZSQNQIMHXICARM-CYBMUJFWSA-N -1 3 399.335 3.960 20 0 GHADHM COCCN(Cc1cccs1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509900461 844294585 /nfs/dbraw/zinc/29/45/85/844294585.db2.gz IICCMUXCRGCHFR-UHFFFAOYSA-N -1 3 398.488 3.900 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c(=O)[n-]1 ZINC000549375384 838179883 /nfs/dbraw/zinc/17/98/83/838179883.db2.gz PMBLNJFHYDLNGM-UHFFFAOYSA-N -1 3 375.841 3.589 20 0 GHADHM COc1ccc(F)cc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137568009 838224176 /nfs/dbraw/zinc/22/41/76/838224176.db2.gz WCYFAGHAHCROAB-UHFFFAOYSA-N -1 3 391.196 3.691 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1NC(C)=O ZINC000046303051 838261128 /nfs/dbraw/zinc/26/11/28/838261128.db2.gz OSJUZIPXSHVHAW-UHFFFAOYSA-N -1 3 376.478 3.653 20 0 GHADHM CCC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000178179985 838282300 /nfs/dbraw/zinc/28/23/00/838282300.db2.gz 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O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000580034966 838581000 /nfs/dbraw/zinc/58/10/00/838581000.db2.gz BCZAWDAPZNUMHT-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1F ZINC000462662966 838588511 /nfs/dbraw/zinc/58/85/11/838588511.db2.gz PRIJWEHXGAMTTF-QMMMGPOBSA-N -1 3 396.278 3.871 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000659795888 838679413 /nfs/dbraw/zinc/67/94/13/838679413.db2.gz KXMPNHKOYJROPK-LSDHHAIUSA-N -1 3 375.362 3.632 20 0 GHADHM O=C([O-])c1cccc(Br)c1CN1CCC2(CCC(O)CC2)CC1 ZINC000659796113 838681322 /nfs/dbraw/zinc/68/13/22/838681322.db2.gz IZIRNUYDONEGLE-UHFFFAOYSA-N -1 3 382.298 3.664 20 0 GHADHM C[C@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000430478681 838693113 /nfs/dbraw/zinc/69/31/13/838693113.db2.gz UXFMMTRMRBQUAD-HOCLYGCPSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN(Cc2cccnc2)C1 ZINC000545445226 838730296 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Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N(c2ccccc2)C2CCCCC2)n1 ZINC000660747588 841158077 /nfs/dbraw/zinc/15/80/77/841158077.db2.gz UNFFMMRGBLHYIQ-UHFFFAOYSA-N -1 3 382.508 3.681 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000053406473 841269802 /nfs/dbraw/zinc/26/98/02/841269802.db2.gz YTHYZAWOBVSIHG-UHFFFAOYSA-N -1 3 380.375 3.671 20 0 GHADHM Cc1cc(=O)[nH]cc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430592684 841299265 /nfs/dbraw/zinc/29/92/65/841299265.db2.gz RAZVITNDFUANEL-UHFFFAOYSA-N -1 3 387.395 3.982 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(OC)c2)c1 ZINC000277115315 844629539 /nfs/dbraw/zinc/62/95/39/844629539.db2.gz AQWGIKZGANYZAL-OAHLLOKOSA-N -1 3 381.375 3.611 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sccc3SC(F)F)nc21 ZINC000162542918 841361873 /nfs/dbraw/zinc/36/18/73/841361873.db2.gz BUANESVZQHECRM-UHFFFAOYSA-N -1 3 383.401 3.978 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(C)cc3C)c2)n1 ZINC000049301876 841499068 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O=C(Nc1cccc([O-])c1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000129484735 841689375 /nfs/dbraw/zinc/68/93/75/841689375.db2.gz YEVLFTLFLQQWHT-UHFFFAOYSA-N -1 3 397.855 3.910 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3)CCCCCC2)no1 ZINC000651515672 841824521 /nfs/dbraw/zinc/82/45/21/841824521.db2.gz PVTUITOWJFGWPM-UHFFFAOYSA-N -1 3 383.901 3.701 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000600200060 861242200 /nfs/dbraw/zinc/24/22/00/861242200.db2.gz KPOWMQWMNDLVBZ-UHFFFAOYSA-N -1 3 379.439 3.524 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000600200060 861242216 /nfs/dbraw/zinc/24/22/16/861242216.db2.gz KPOWMQWMNDLVBZ-UHFFFAOYSA-N -1 3 379.439 3.524 20 0 GHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000184147762 841853078 /nfs/dbraw/zinc/85/30/78/841853078.db2.gz HBTBDYPJMWCKIA-IBGZPJMESA-N -1 3 398.528 3.607 20 0 GHADHM COc1cc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)n2)ccc1C ZINC000656768395 841905164 /nfs/dbraw/zinc/90/51/64/841905164.db2.gz XRWAGWIRRXWLSE-IKGGRYGDSA-N -1 3 385.464 3.519 20 0 GHADHM Cc1c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cnn1CCC(C)C ZINC000160983216 841920088 /nfs/dbraw/zinc/92/00/88/841920088.db2.gz MQFXIRDJADWEHO-UHFFFAOYSA-N -1 3 380.448 3.516 20 0 GHADHM CCCOc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(OCCC)c1 ZINC000430636439 841987093 /nfs/dbraw/zinc/98/70/93/841987093.db2.gz JBWPUMIWLVEZMU-UHFFFAOYSA-N -1 3 380.448 3.724 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Cc4nc(C)cs4)C3)nc2)n1 ZINC000896624297 861260576 /nfs/dbraw/zinc/26/05/76/861260576.db2.gz XXTVPDIZHHDOAB-CQSZACIVSA-N -1 3 381.505 3.641 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c(C)c1 ZINC000581849902 842293378 /nfs/dbraw/zinc/29/33/78/842293378.db2.gz OEUKSQIZCIPJDF-MOPGFXCFSA-N -1 3 375.490 3.787 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000278984949 842430542 /nfs/dbraw/zinc/43/05/42/842430542.db2.gz KIWCQEWWSYQFLO-GFCCVEGCSA-N -1 3 390.365 3.857 20 0 GHADHM Cc1cscc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000487372603 842491696 /nfs/dbraw/zinc/49/16/96/842491696.db2.gz ZLDSGJADXIBWFG-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(Cn2cccn2)cc1 ZINC000471781934 842496400 /nfs/dbraw/zinc/49/64/00/842496400.db2.gz QWKAYUQJPKMBEO-UHFFFAOYSA-N -1 3 399.447 3.604 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000652431516 842524870 /nfs/dbraw/zinc/52/48/70/842524870.db2.gz VHHIDLNITWDMOC-BLVKFPJESA-N -1 3 377.387 3.597 20 0 GHADHM O=C([O-])c1cccc2c1CN(CCOc1cccc(Br)c1)CC2 ZINC000652488261 842610789 /nfs/dbraw/zinc/61/07/89/842610789.db2.gz LSWBCKNHUZHALB-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM Cc1cnc(CCN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c(C)c1 ZINC000652490098 842627404 /nfs/dbraw/zinc/62/74/04/842627404.db2.gz VOAIUEHQOSRVBY-GOSISDBHSA-N -1 3 389.293 3.515 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000512152555 842658665 /nfs/dbraw/zinc/65/86/65/842658665.db2.gz DKEMVTCXBINPBU-AAEUAGOBSA-N -1 3 390.908 3.932 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1F ZINC001211702174 842735218 /nfs/dbraw/zinc/73/52/18/842735218.db2.gz HOMMKYRBALPIPS-AMIZOPFISA-N -1 3 391.798 3.600 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)F)c1)c1cc2nc(Cl)ncc2s1 ZINC001211523988 842812111 /nfs/dbraw/zinc/81/21/11/842812111.db2.gz SHGUWOKFUHVPJE-UHFFFAOYSA-N -1 3 389.836 3.761 20 0 GHADHM COC[C@H](C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000663261107 842942323 /nfs/dbraw/zinc/94/23/23/842942323.db2.gz YILXSRQOBZASDA-IFXJQAMLSA-N -1 3 377.868 3.978 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CCCc2ccccc2)c1 ZINC000185093009 842991253 /nfs/dbraw/zinc/99/12/53/842991253.db2.gz QODZTCDNPGFRLY-UHFFFAOYSA-N -1 3 393.443 3.646 20 0 GHADHM COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000254824934 843000658 /nfs/dbraw/zinc/00/06/58/843000658.db2.gz PLPSCJSMJZMRSU-UHFFFAOYSA-N -1 3 397.656 3.510 20 0 GHADHM CCCN(CCc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000185649713 843016997 /nfs/dbraw/zinc/01/69/97/843016997.db2.gz MOYIKDNXTCSHCU-GOSISDBHSA-N -1 3 386.517 3.540 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@H]2CCCC[C@H]2C)cc1OC ZINC000512233255 843173308 /nfs/dbraw/zinc/17/33/08/843173308.db2.gz HEDBPPAIZDVQSL-HUUCEWRRSA-N -1 3 397.541 3.795 20 0 GHADHM Cc1cccc(NC(=S)N[N-]C(=O)c2cnn(-c3ccccc3Cl)c2)c1C ZINC000064655905 843291525 /nfs/dbraw/zinc/29/15/25/843291525.db2.gz VCSSWHSUYPWLAY-UHFFFAOYSA-N -1 3 399.907 3.774 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)c(C)c1C ZINC000279844635 843423898 /nfs/dbraw/zinc/42/38/98/843423898.db2.gz HTWXVTIZOGYQDK-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCc3ncccc3[O-])s2)cc1 ZINC000471913111 843453438 /nfs/dbraw/zinc/45/34/38/843453438.db2.gz UDNLDTAXFPGJTA-ZDUSSCGKSA-N -1 3 398.488 3.788 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](CC)Cc2cccc(Br)c2)[n-]1 ZINC000617876645 843549237 /nfs/dbraw/zinc/54/92/37/843549237.db2.gz YPFQHYDAUHZSMW-GFCCVEGCSA-N -1 3 394.269 3.556 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](CC)Cc2cccc(Br)c2)c[n-]1 ZINC000617876645 843549242 /nfs/dbraw/zinc/54/92/42/843549242.db2.gz YPFQHYDAUHZSMW-GFCCVEGCSA-N -1 3 394.269 3.556 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(OC)c1 ZINC000657108794 843555711 /nfs/dbraw/zinc/55/57/11/843555711.db2.gz LVLVHQUGXCLDBI-OAHLLOKOSA-N -1 3 390.288 3.668 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)s1 ZINC000500517784 843576887 /nfs/dbraw/zinc/57/68/87/843576887.db2.gz XFNICBJCIATZMV-SNVBAGLBSA-N -1 3 381.500 3.789 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc2oc(=O)n(C)c2c1 ZINC000303199122 843718695 /nfs/dbraw/zinc/71/86/95/843718695.db2.gz XBSJNEDKPBFPAF-UHFFFAOYSA-N -1 3 388.489 3.847 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1C(C)C ZINC000431181839 843819037 /nfs/dbraw/zinc/81/90/37/843819037.db2.gz STQDHSKFLGWMLR-UHFFFAOYSA-N -1 3 395.456 3.558 20 0 GHADHM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC1 ZINC000509751391 843889346 /nfs/dbraw/zinc/88/93/46/843889346.db2.gz PYYBIQQHISHWMQ-UHFFFAOYSA-N -1 3 399.818 3.513 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1(F)F ZINC000657156812 844695735 /nfs/dbraw/zinc/69/57/35/844695735.db2.gz HRVPJNREOQIQMG-LBPRGKRZSA-N -1 3 375.771 3.655 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(F)c2)cc1OC ZINC000277163663 844873694 /nfs/dbraw/zinc/87/36/94/844873694.db2.gz DKVAHOWCGSFERL-CQSZACIVSA-N -1 3 399.365 3.750 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc(Cl)c(Br)c1 ZINC000535879746 845000510 /nfs/dbraw/zinc/00/05/10/845000510.db2.gz NJIRGYOYOTUFOR-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC)cc2)cc1 ZINC000028252014 845072325 /nfs/dbraw/zinc/07/23/25/845072325.db2.gz OGHFBEBUPWXEAL-CQSZACIVSA-N -1 3 376.478 3.586 20 0 GHADHM CCCCOc1ccc([C@@H](C)NC(=O)NN=c2nc(C)cc(C)[n-]2)cc1OC ZINC000047159697 845082379 /nfs/dbraw/zinc/08/23/79/845082379.db2.gz UJDZHQRERGMRDF-OAHLLOKOSA-N -1 3 387.484 3.668 20 0 GHADHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000433613194 845094465 /nfs/dbraw/zinc/09/44/65/845094465.db2.gz TZTIKNFXALLLCP-UHFFFAOYSA-N -1 3 397.880 3.816 20 0 GHADHM O=S(=O)([N-]C1CCC2(CC2(F)F)CC1)c1cc(F)ccc1Br ZINC000657197313 845121198 /nfs/dbraw/zinc/12/11/98/845121198.db2.gz HPGQRNBPOVSTTN-UHFFFAOYSA-N -1 3 398.244 3.835 20 0 GHADHM O=C(N[C@@H]1CC12CCCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000555689452 861560218 /nfs/dbraw/zinc/56/02/18/861560218.db2.gz HXJTZNBVIZKHNV-GOSISDBHSA-N -1 3 388.464 3.689 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(Cl)ccc1Br ZINC000429854544 845393419 /nfs/dbraw/zinc/39/34/19/845393419.db2.gz QBLCGRZEUIQJPM-APHBMKBZSA-N -1 3 398.709 3.719 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)c1 ZINC000614488349 845420552 /nfs/dbraw/zinc/42/05/52/845420552.db2.gz OIEDVTAPAGZMRC-HNNXBMFYSA-N -1 3 386.498 3.938 20 0 GHADHM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1c(F)cccc1OC(F)(F)F ZINC001211784186 845460579 /nfs/dbraw/zinc/46/05/79/845460579.db2.gz CTYGILSBUCXTGV-UHFFFAOYSA-N -1 3 381.391 3.971 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000512783074 845505619 /nfs/dbraw/zinc/50/56/19/845505619.db2.gz MCLKOBAPVSLDLD-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000513497330 845532621 /nfs/dbraw/zinc/53/26/21/845532621.db2.gz VMJCUGBDIBYOEW-QFIPXVFZSA-N -1 3 377.444 3.546 20 0 GHADHM CN1C(=O)C[C@H](NCc2cccc([O-])c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000645169624 845538659 /nfs/dbraw/zinc/53/86/59/845538659.db2.gz CPHAPUNTIUXMLR-KBXCAEBGSA-N -1 3 383.250 3.900 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OCCCO2)c1cccc(Cl)c1Cl ZINC000431294902 845639440 /nfs/dbraw/zinc/63/94/40/845639440.db2.gz NUISILHJDCAOBH-UHFFFAOYSA-N -1 3 388.272 3.633 20 0 GHADHM C[C@@H](Oc1ccccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccccc1 ZINC000433966237 845656188 /nfs/dbraw/zinc/65/61/88/845656188.db2.gz HAAHKIWDJATRGZ-CQSZACIVSA-N -1 3 378.432 3.641 20 0 GHADHM CC(C)(C)c1nc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)no1 ZINC000657284914 845670859 /nfs/dbraw/zinc/67/08/59/845670859.db2.gz TZLHISQLHGWPOV-UHFFFAOYSA-N -1 3 396.476 3.553 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1ccc2ccccc2n1 ZINC000472094789 845822600 /nfs/dbraw/zinc/82/26/00/845822600.db2.gz NHSPVTHCLCCIJL-UHFFFAOYSA-N -1 3 384.432 3.950 20 0 GHADHM CCOC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC001267077473 846096784 /nfs/dbraw/zinc/09/67/84/846096784.db2.gz YIOIJOOHVAAWBN-OAHLLOKOSA-N -1 3 383.341 3.867 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000509540119 846204976 /nfs/dbraw/zinc/20/49/76/846204976.db2.gz IGXHKEVCIIAMBV-HOTGVXAUSA-N -1 3 394.443 3.944 20 0 GHADHM Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])sc2c1CCCC2 ZINC000175831295 861652256 /nfs/dbraw/zinc/65/22/56/861652256.db2.gz INGDJMGDBHRNMZ-MRXNPFEDSA-N -1 3 384.501 3.884 20 0 GHADHM CC(=O)Nc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)c(F)c1 ZINC000502687574 846353748 /nfs/dbraw/zinc/35/37/48/846353748.db2.gz PRRSHLBCIPNQTB-UHFFFAOYSA-N -1 3 380.408 3.989 20 0 GHADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179642295 861679910 /nfs/dbraw/zinc/67/99/10/861679910.db2.gz KNMONRILOUXGMF-ACJLOTCBSA-N -1 3 386.879 3.984 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1C ZINC000280646138 846474520 /nfs/dbraw/zinc/47/45/20/846474520.db2.gz VMPCAJAJHCJFDU-UHFFFAOYSA-N -1 3 378.450 3.600 20 0 GHADHM C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000179643414 861681220 /nfs/dbraw/zinc/68/12/20/861681220.db2.gz UBRQPJFSRMLFFT-ZDUSSCGKSA-N -1 3 380.897 3.919 20 0 GHADHM COc1cc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(SC)cc1OC ZINC000277498660 846508741 /nfs/dbraw/zinc/50/87/41/846508741.db2.gz XODJCPURKWLCPC-DJJJIMSYSA-N -1 3 375.490 3.977 20 0 GHADHM CCCc1nc(CSc2nc3nc(C)cc(C(=O)OC)c3c(=O)[n-]2)cs1 ZINC000502842503 846534841 /nfs/dbraw/zinc/53/48/41/846534841.db2.gz NOVVRUOPWTUXDR-UHFFFAOYSA-N -1 3 390.490 3.527 20 0 GHADHM COc1ccc(C[NH2+][C@H]2CCCCCC[C@H]2C(=O)[O-])c(Br)c1[O-] ZINC000277510204 846598092 /nfs/dbraw/zinc/59/80/92/846598092.db2.gz YEPJZSZHAWLRDY-OLZOCXBDSA-N -1 3 386.286 3.677 20 0 GHADHM Cc1cccc(Oc2cc(CNC(=O)c3cc(F)cc4n[n-]nc43)ccn2)c1C ZINC000502974438 846660715 /nfs/dbraw/zinc/66/07/15/846660715.db2.gz WFZCSLOQMBWABU-UHFFFAOYSA-N -1 3 391.406 3.831 20 0 GHADHM COc1ccc([C@H](NC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)C2CC2)cc1 ZINC000419586333 846675547 /nfs/dbraw/zinc/67/55/47/846675547.db2.gz LYJLRGMCLMLHJD-HXUWFJFHSA-N -1 3 399.516 3.569 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCCCC1 ZINC001268832796 846749558 /nfs/dbraw/zinc/74/95/58/846749558.db2.gz SCFQHBJCICHOTK-AWEZNQCLSA-N -1 3 398.544 3.991 20 0 GHADHM CSC[C@@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000582316072 846838918 /nfs/dbraw/zinc/83/89/18/846838918.db2.gz WJODESKBKBBTOD-MRVPVSSYSA-N -1 3 380.271 3.751 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)c(=O)[n-]1 ZINC000501406291 846908621 /nfs/dbraw/zinc/90/86/21/846908621.db2.gz LRXZNEGTQVHFQW-UHFFFAOYSA-N -1 3 393.491 3.890 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000501440237 846929121 /nfs/dbraw/zinc/92/91/21/846929121.db2.gz ZAUIOZJSMLUZAT-NXEZZACHSA-N -1 3 393.761 3.797 20 0 GHADHM Cc1cc(C(=O)NC2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c(C)o1 ZINC000375692191 847007208 /nfs/dbraw/zinc/00/72/08/847007208.db2.gz OOGDFLTUXVULJK-UHFFFAOYSA-N -1 3 392.455 3.790 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179764124 861760527 /nfs/dbraw/zinc/76/05/27/861760527.db2.gz JFYJDYVEKIJFRZ-UHFFFAOYSA-N -1 3 391.777 3.882 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC=C(C(C)(C)C)CC2)c1 ZINC000273318612 847304262 /nfs/dbraw/zinc/30/42/62/847304262.db2.gz JXQCRJPHKRFHIS-UHFFFAOYSA-N -1 3 383.448 3.759 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C2CC2)n1 ZINC000420677452 847367743 /nfs/dbraw/zinc/36/77/43/847367743.db2.gz RTHHMLARHRDHSS-ZDUSSCGKSA-N -1 3 392.424 3.622 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1OC(F)F ZINC000420708770 847387221 /nfs/dbraw/zinc/38/72/21/847387221.db2.gz JWKSMFHAVLYMNB-QMMMGPOBSA-N -1 3 375.771 3.655 20 0 GHADHM Cc1ccc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)c([O-])c1 ZINC000273737872 847426154 /nfs/dbraw/zinc/42/61/54/847426154.db2.gz LQIPIKMKWUNGIM-UHFFFAOYSA-N -1 3 380.429 3.929 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1cccs1 ZINC000159116178 847479068 /nfs/dbraw/zinc/47/90/68/847479068.db2.gz LRDCQFRMMAIGQK-SECBINFHSA-N -1 3 392.424 3.881 20 0 GHADHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000414475789 847486275 /nfs/dbraw/zinc/48/62/75/847486275.db2.gz YIOQJSRZGAKFBP-NSHDSACASA-N -1 3 383.926 3.674 20 0 GHADHM CC(C)[C@@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000502109461 847488813 /nfs/dbraw/zinc/48/88/13/847488813.db2.gz IOXZFHQFFZGCGJ-GFCCVEGCSA-N -1 3 389.809 3.716 20 0 GHADHM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176680293 847494749 /nfs/dbraw/zinc/49/47/49/847494749.db2.gz RZWCUKNJLUXSNZ-ZHACJKMWSA-N -1 3 390.465 3.518 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000032054001 847573911 /nfs/dbraw/zinc/57/39/11/847573911.db2.gz HNAQVIZUDMBKFJ-CQSZACIVSA-N -1 3 398.463 3.657 20 0 GHADHM Cc1[nH]c2c(cccc2C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1C ZINC000431456669 847660528 /nfs/dbraw/zinc/66/05/28/847660528.db2.gz LQANFKBIQFYIHD-UHFFFAOYSA-N -1 3 383.249 3.869 20 0 GHADHM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000611660125 847828591 /nfs/dbraw/zinc/82/85/91/847828591.db2.gz AGLACEJDJZEWTD-KRWDZBQOSA-N -1 3 375.472 3.677 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C(C)C)cc2)cc1C ZINC000116710153 848036290 /nfs/dbraw/zinc/03/62/90/848036290.db2.gz XIPGWWRUEZJASR-UHFFFAOYSA-N -1 3 390.505 3.561 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1Cl ZINC000685005404 848129423 /nfs/dbraw/zinc/12/94/23/848129423.db2.gz DLTWDDBFKCUJDS-UHFFFAOYSA-N -1 3 396.093 3.682 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Br)[N-]c1cnc(C2CC2)nc1 ZINC000728509379 848135468 /nfs/dbraw/zinc/13/54/68/848135468.db2.gz KHMJZGBCIJXWQU-FPLPWBNLSA-N -1 3 380.267 3.529 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C\c3ccc[nH]3)cc2)cc1 ZINC000588546622 848216498 /nfs/dbraw/zinc/21/64/98/848216498.db2.gz IPOFTXMJKONNCJ-RAXLEYEMSA-N -1 3 381.457 3.776 20 0 GHADHM O=S(=O)([N-]CCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)s1 ZINC000023003245 848226455 /nfs/dbraw/zinc/22/64/55/848226455.db2.gz IKYRZAYTZHEGPF-UHFFFAOYSA-N -1 3 384.954 3.913 20 0 GHADHM CC1(C)CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000511207495 848557888 /nfs/dbraw/zinc/55/78/88/848557888.db2.gz OHCLBPYWUAWKON-GOSISDBHSA-N -1 3 394.487 3.544 20 0 GHADHM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000121271601 848725945 /nfs/dbraw/zinc/72/59/45/848725945.db2.gz LTLHKRHVUXYYNA-UHFFFAOYSA-N -1 3 398.488 3.604 20 0 GHADHM CC(=O)N(c1nc(COC(=O)c2cncc([O-])c2)cs1)c1ccc(C)c(C)c1 ZINC000731915268 861957219 /nfs/dbraw/zinc/95/72/19/861957219.db2.gz GBDNDLPWMVWQNZ-UHFFFAOYSA-N -1 3 397.456 3.902 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccc(N)cc32)sc1Cl ZINC000261623699 849243746 /nfs/dbraw/zinc/24/37/46/849243746.db2.gz GLKUXAOFXWCPHN-LBPRGKRZSA-N -1 3 386.926 3.873 20 0 GHADHM CC(C)(CO)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccs1 ZINC000583291784 849555373 /nfs/dbraw/zinc/55/53/73/849555373.db2.gz FUXHRIQKELZTDD-SFHVURJKSA-N -1 3 383.473 3.993 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c(Cl)cccc1Br ZINC000509167151 862086676 /nfs/dbraw/zinc/08/66/76/862086676.db2.gz TYPZTHZWNGEPSN-BYCMXARLSA-N -1 3 398.709 3.719 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430136233 850158700 /nfs/dbraw/zinc/15/87/00/850158700.db2.gz IEDPOGVBNBNFOM-SNVBAGLBSA-N -1 3 394.656 3.578 20 0 GHADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000486848406 850158862 /nfs/dbraw/zinc/15/88/62/850158862.db2.gz VTQHLSFEJFSCJN-GDGBQDQQSA-N -1 3 384.217 3.545 20 0 GHADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435225040 850242124 /nfs/dbraw/zinc/24/21/24/850242124.db2.gz HKGSRMNGHAZINY-NEPJUHHUSA-N -1 3 396.347 3.931 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2sc(C)cc2Br)CCCCC1 ZINC000514759932 850256426 /nfs/dbraw/zinc/25/64/26/850256426.db2.gz CEDKKVUGJPCGRF-UHFFFAOYSA-N -1 3 396.372 3.694 20 0 GHADHM CC[C@H](C)C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749362 850322031 /nfs/dbraw/zinc/32/20/31/850322031.db2.gz RVFCCAHFWALBKV-XIRDDKMYSA-N -1 3 395.569 3.710 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908754759 850332725 /nfs/dbraw/zinc/33/27/25/850332725.db2.gz VFBHQCFJBNCSIB-LEWJYISDSA-N -1 3 397.519 3.594 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(C)c1 ZINC000443880351 862118594 /nfs/dbraw/zinc/11/85/94/862118594.db2.gz HGHMYFHDRJQVBN-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(C)c1 ZINC000443880351 862118596 /nfs/dbraw/zinc/11/85/96/862118596.db2.gz HGHMYFHDRJQVBN-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435433645 850492046 /nfs/dbraw/zinc/49/20/46/850492046.db2.gz OQLUTLYHNYGPME-FUHWJXTLSA-N -1 3 399.443 3.600 20 0 GHADHM CC[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000504991375 850510856 /nfs/dbraw/zinc/51/08/56/850510856.db2.gz LQSNVHXQXDRUGI-OAHLLOKOSA-N -1 3 390.505 3.979 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1 ZINC000435443750 850532856 /nfs/dbraw/zinc/53/28/56/850532856.db2.gz PSTMZWPPBDOERX-CQSZACIVSA-N -1 3 396.242 3.938 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1ccc(Cl)s1 ZINC000519069230 850586919 /nfs/dbraw/zinc/58/69/19/850586919.db2.gz AQROOKHHFLLTPB-UHFFFAOYSA-N -1 3 385.816 3.821 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)c1 ZINC000506729871 850648367 /nfs/dbraw/zinc/64/83/67/850648367.db2.gz JPXIVEGUQJEXBS-HNNXBMFYSA-N -1 3 391.489 3.770 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cncn1-c1ccc(F)cc1 ZINC000515078289 850650257 /nfs/dbraw/zinc/65/02/57/850650257.db2.gz MSLGUGGDVMLRLZ-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CC(C)CCn1ncc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C(C)C ZINC000487629415 850770653 /nfs/dbraw/zinc/77/06/53/850770653.db2.gz DLUUGJGLPJZVKU-UHFFFAOYSA-N -1 3 387.410 3.511 20 0 GHADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732275957 862170625 /nfs/dbraw/zinc/17/06/25/862170625.db2.gz LJEUESZOLQLIBH-NSHDSACASA-N -1 3 391.349 3.552 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccsc1 ZINC000519254935 850818562 /nfs/dbraw/zinc/81/85/62/850818562.db2.gz FGQPDARBYLDHFA-OAHLLOKOSA-N -1 3 392.468 3.527 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000519288161 850845015 /nfs/dbraw/zinc/84/50/15/850845015.db2.gz GXVZMDXTGUKNRK-WCQYABFASA-N -1 3 376.787 3.588 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC000732264112 862177204 /nfs/dbraw/zinc/17/72/04/862177204.db2.gz PHUPBEZYHLVBLL-UHFFFAOYSA-N -1 3 377.444 3.526 20 0 GHADHM Cc1c(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc(Br)cc1C(=O)[O-] ZINC000910082466 850978964 /nfs/dbraw/zinc/97/89/64/850978964.db2.gz NUOFZVJZIPMCOA-MRXNPFEDSA-N -1 3 397.313 3.905 20 0 GHADHM CC(C)(C)c1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cs1 ZINC000519438329 851042759 /nfs/dbraw/zinc/04/27/59/851042759.db2.gz DVVFFXSZCZIZNB-UHFFFAOYSA-N -1 3 382.555 3.655 20 0 GHADHM CC(C)(C)c1nc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cs1 ZINC000519438329 851042770 /nfs/dbraw/zinc/04/27/70/851042770.db2.gz DVVFFXSZCZIZNB-UHFFFAOYSA-N -1 3 382.555 3.655 20 0 GHADHM O=C([O-])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c2ccccc12 ZINC000910249368 851087037 /nfs/dbraw/zinc/08/70/37/851087037.db2.gz USLPZCRVDHWGHS-KRWDZBQOSA-N -1 3 389.455 3.784 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)cc1F ZINC000440380369 851122015 /nfs/dbraw/zinc/12/20/15/851122015.db2.gz JSWRFMPWHSEAHF-LBPRGKRZSA-N -1 3 394.443 3.661 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000519522377 851236470 /nfs/dbraw/zinc/23/64/70/851236470.db2.gz XBGBLBCFHXVGGO-IBGZPJMESA-N -1 3 397.368 3.611 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCC(C)C)c2)cc1 ZINC000514102236 851239548 /nfs/dbraw/zinc/23/95/48/851239548.db2.gz MNJWBZYDICMUBZ-UHFFFAOYSA-N -1 3 391.493 3.582 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(F)c2SC)cc1OC ZINC000436140277 851252139 /nfs/dbraw/zinc/25/21/39/851252139.db2.gz IDWKLNYUCVNUTR-UHFFFAOYSA-N -1 3 398.481 3.570 20 0 GHADHM O=C(NCc1csc(CCc2ccccc2)n1)c1c[n-]c2ccccc2c1=O ZINC000434563246 851287024 /nfs/dbraw/zinc/28/70/24/851287024.db2.gz YUQMPNKSOSHFTP-UHFFFAOYSA-N -1 3 389.480 3.700 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1c(F)cccc1F ZINC000048445580 851408018 /nfs/dbraw/zinc/40/80/18/851408018.db2.gz JHSHMJNLLPHGNI-ZETCQYMHSA-N -1 3 382.251 3.828 20 0 GHADHM O=C([O-])c1ccnc(N2CCC(NCc3nc(-c4ccccc4)cs3)CC2)c1 ZINC000426657461 851445326 /nfs/dbraw/zinc/44/53/26/851445326.db2.gz PDQDYEUMSVDWFQ-UHFFFAOYSA-N -1 3 394.500 3.662 20 0 GHADHM CCCc1sc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCN2CC)cc1CC ZINC000911279635 851659955 /nfs/dbraw/zinc/65/99/55/851659955.db2.gz KPZKYCPZGLJBBH-INIZCTEOSA-N -1 3 380.554 3.664 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccccc2CCC(=O)[O-])N2CCCC2)cc1 ZINC000911295876 851670975 /nfs/dbraw/zinc/67/09/75/851670975.db2.gz KFGLPYZQDFKRJA-NRFANRHFSA-N -1 3 380.488 3.579 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000488659686 851689697 /nfs/dbraw/zinc/68/96/97/851689697.db2.gz QUSGNMOGSFMWNL-UHFFFAOYSA-N -1 3 390.212 3.614 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1ccc(F)cc1C(F)(F)F ZINC000488703988 851704615 /nfs/dbraw/zinc/70/46/15/851704615.db2.gz WRILIPKQXZTPJQ-CQSZACIVSA-N -1 3 377.334 3.949 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1F ZINC000488858611 851831963 /nfs/dbraw/zinc/83/19/63/851831963.db2.gz UQCSNXYJKQJNIS-UHFFFAOYSA-N -1 3 390.383 3.933 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(OC[C@@H]4CCCCO4)CC3)c2c1 ZINC000570283537 851879853 /nfs/dbraw/zinc/87/98/53/851879853.db2.gz WHGRFNGIOUPWHL-KRWDZBQOSA-N -1 3 384.476 3.796 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000132850949 862294806 /nfs/dbraw/zinc/29/48/06/862294806.db2.gz YKFUEKGLGHECSW-UHFFFAOYSA-N -1 3 391.402 3.688 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1cc(F)ccc1Cl ZINC000488969051 851900847 /nfs/dbraw/zinc/90/08/47/851900847.db2.gz KFOFWUVYXNJXEU-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1ccc(F)cc1C(F)(F)F ZINC000488980134 851917090 /nfs/dbraw/zinc/91/70/90/851917090.db2.gz VQQJRLQFMKFEOO-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM Cc1ccc(SC2(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)CCCC2)cc1 ZINC000911853580 851933725 /nfs/dbraw/zinc/93/37/25/851933725.db2.gz BSYOCXFCXCVLTE-UHFFFAOYSA-N -1 3 375.519 3.501 20 0 GHADHM O=S(=O)(Cc1cc(-c2cccs2)on1)c1nc(CCC2CCCC2)n[n-]1 ZINC000517463519 851998335 /nfs/dbraw/zinc/99/83/35/851998335.db2.gz PZCWACRWJXFWIL-UHFFFAOYSA-N -1 3 392.506 3.618 20 0 GHADHM O=S(=O)(Cc1cc(-c2cccs2)on1)c1nnc(CCC2CCCC2)[n-]1 ZINC000517463519 851998347 /nfs/dbraw/zinc/99/83/47/851998347.db2.gz PZCWACRWJXFWIL-UHFFFAOYSA-N -1 3 392.506 3.618 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1[O-] ZINC000436524715 852013883 /nfs/dbraw/zinc/01/38/83/852013883.db2.gz KEMSDAMGRLURJU-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(F)cc1F ZINC000436532126 852024014 /nfs/dbraw/zinc/02/40/14/852024014.db2.gz GFBHDZKZDDJNGS-UHFFFAOYSA-N -1 3 398.431 3.691 20 0 GHADHM CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C)cc2[O-])CC1)c1ccccc1 ZINC000436535519 852027858 /nfs/dbraw/zinc/02/78/58/852027858.db2.gz AFYNXRAZBXTLRN-LJQANCHMSA-N -1 3 380.488 3.615 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1cc2n(n1)CCCC2 ZINC000912034647 852029460 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CC(C)c1ccc(-c2nc(CCn3cnc4ccccc4c3=O)no2)c([O-])c1 ZINC000436565142 852069259 /nfs/dbraw/zinc/06/92/59/852069259.db2.gz SDTBADMKLYPXGU-UHFFFAOYSA-N -1 3 376.416 3.518 20 0 GHADHM COc1ccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)c([O-])c1 ZINC000436591928 852078828 /nfs/dbraw/zinc/07/88/28/852078828.db2.gz YPUNOCWYUJEDEY-UHFFFAOYSA-N -1 3 380.444 3.556 20 0 GHADHM CC1(C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]1C1CC1 ZINC000436597976 852083841 /nfs/dbraw/zinc/08/38/41/852083841.db2.gz RTPJSEYAMICHND-RBBKRZOGSA-N -1 3 392.499 3.900 20 0 GHADHM CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436589473 852097661 /nfs/dbraw/zinc/09/76/61/852097661.db2.gz KUYHNZQRCYMYEP-CQSZACIVSA-N -1 3 397.431 3.937 20 0 GHADHM O=C(Nc1cnn(Cc2ccncc2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436625767 852119199 /nfs/dbraw/zinc/11/91/99/852119199.db2.gz PKZHENRHOVHVRI-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM COc1ccc(NC(=O)c2c([O-])cccc2O)cc1NC(=O)C1CCCCC1 ZINC000436645591 852154918 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GHADHM CCCCOc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1OC ZINC000436697344 852213393 /nfs/dbraw/zinc/21/33/93/852213393.db2.gz LZMSCPANRYYBQZ-UHFFFAOYSA-N -1 3 398.503 3.538 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847123 852255994 /nfs/dbraw/zinc/25/59/94/852255994.db2.gz LZMQYZZZAFRNCN-LLVKDONJSA-N -1 3 388.276 3.653 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(O)cc1[O-] ZINC000436740895 852258352 /nfs/dbraw/zinc/25/83/52/852258352.db2.gz AVBZIRNNMCKKBX-CQSZACIVSA-N -1 3 380.469 3.757 20 0 GHADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cncs1 ZINC000436731266 852272337 /nfs/dbraw/zinc/27/23/37/852272337.db2.gz BXWUASRZQIAHAD-KBXCAEBGSA-N -1 3 395.484 3.587 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000436749180 852289513 /nfs/dbraw/zinc/28/95/13/852289513.db2.gz XRMGTQMYZBBFLR-UHFFFAOYSA-N -1 3 384.451 3.643 20 0 GHADHM Cn1ccc(CCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436779870 852315252 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20 0 GHADHM CCc1cccc(C)c1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436919926 852500409 /nfs/dbraw/zinc/50/04/09/852500409.db2.gz PSGKFAITAGUQNJ-UHFFFAOYSA-N -1 3 381.476 3.689 20 0 GHADHM O=C(Nc1ccc(F)c(Cl)c1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436922095 852502354 /nfs/dbraw/zinc/50/23/54/852502354.db2.gz YQXZSMNLWJRTQM-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nnc2n1CCCCC2 ZINC000436925285 852506554 /nfs/dbraw/zinc/50/65/54/852506554.db2.gz IIBPAXQUSLGHLQ-OAHLLOKOSA-N -1 3 392.459 3.993 20 0 GHADHM NC(=O)Cc1ccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cc1 ZINC000436942629 852525630 /nfs/dbraw/zinc/52/56/30/852525630.db2.gz WEGBQSZVVIBWCE-UHFFFAOYSA-N -1 3 385.423 3.728 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1csc2ccccc12 ZINC000436945291 852527301 /nfs/dbraw/zinc/52/73/01/852527301.db2.gz PCXSKOPBTWKDNM-UHFFFAOYSA-N -1 3 380.469 3.642 20 0 GHADHM O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1c([O-])cccc1F ZINC000436949181 852530996 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Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2NC2CC2)c([O-])c1 ZINC000436960319 852549794 /nfs/dbraw/zinc/54/97/94/852549794.db2.gz CNJFABAHYJLPRU-UHFFFAOYSA-N -1 3 387.867 3.687 20 0 GHADHM O=C(Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436973557 852559532 /nfs/dbraw/zinc/55/95/32/852559532.db2.gz UIQSSFYOYVRRCN-UHFFFAOYSA-N -1 3 384.395 3.666 20 0 GHADHM O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436973557 852559541 /nfs/dbraw/zinc/55/95/41/852559541.db2.gz UIQSSFYOYVRRCN-UHFFFAOYSA-N -1 3 384.395 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)c1ccc([O-])cc1 ZINC000436973557 852559549 /nfs/dbraw/zinc/55/95/49/852559549.db2.gz UIQSSFYOYVRRCN-UHFFFAOYSA-N -1 3 384.395 3.666 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c([O-])c1 ZINC000436975435 852559673 /nfs/dbraw/zinc/55/96/73/852559673.db2.gz ACLGMWCVBTUKRR-QHCPKHFHSA-N -1 3 381.472 3.885 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000436976423 852561487 /nfs/dbraw/zinc/56/14/87/852561487.db2.gz BAYDGJXKGLXUAE-UHFFFAOYSA-N -1 3 392.242 3.803 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)c([O-])c1 ZINC000436991555 852582102 /nfs/dbraw/zinc/58/21/02/852582102.db2.gz VPLXCRMGZRAIAG-UHFFFAOYSA-N -1 3 388.508 3.578 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)cc2)sc1Cl ZINC000473852714 852596373 /nfs/dbraw/zinc/59/63/73/852596373.db2.gz JQNNUYYHXGLNME-GFCCVEGCSA-N -1 3 381.910 3.935 20 0 GHADHM COc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c([O-])c1 ZINC000437001192 852616662 /nfs/dbraw/zinc/61/66/62/852616662.db2.gz ODCPTHBIUKDGMB-AWEZNQCLSA-N -1 3 390.277 3.868 20 0 GHADHM COc1ccc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)c([O-])c1 ZINC000438627594 852644604 /nfs/dbraw/zinc/64/46/04/852644604.db2.gz QZZIRETXCHVUFP-OAHLLOKOSA-N -1 3 392.249 3.759 20 0 GHADHM CCc1c([N-]C(=O)C(=O)c2ccc(OC)c(Cl)c2)onc1C(F)(F)F ZINC000505952543 852679125 /nfs/dbraw/zinc/67/91/25/852679125.db2.gz INFAMTDCDLYJSA-UHFFFAOYSA-N -1 3 376.718 3.739 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000427083166 852700133 /nfs/dbraw/zinc/70/01/33/852700133.db2.gz XLXBZYYEVDMULE-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000427083166 852700140 /nfs/dbraw/zinc/70/01/40/852700140.db2.gz XLXBZYYEVDMULE-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)ccc2O1 ZINC000438717495 852746721 /nfs/dbraw/zinc/74/67/21/852746721.db2.gz ATPDPGZAALWPRG-VIFPVBQESA-N -1 3 386.242 3.712 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000507290036 852763386 /nfs/dbraw/zinc/76/33/86/852763386.db2.gz OUSKPQZDDAZSJC-CJNGLKHVSA-N -1 3 382.888 3.593 20 0 GHADHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000507302805 852779833 /nfs/dbraw/zinc/77/98/33/852779833.db2.gz YLZQIGUMYORIMZ-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000505985196 852815757 /nfs/dbraw/zinc/81/57/57/852815757.db2.gz AJXAJAZDAVVVKI-VIFPVBQESA-N -1 3 398.772 3.714 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473856544 852898602 /nfs/dbraw/zinc/89/86/02/852898602.db2.gz LRXXRSULVYEMHR-NRFANRHFSA-N -1 3 391.471 3.752 20 0 GHADHM O=C(NCCc1cccc2[nH]ccc21)NCc1ccc([O-])c(Br)c1 ZINC000507476800 852949756 /nfs/dbraw/zinc/94/97/56/852949756.db2.gz LIMQHVYQHFKXHJ-UHFFFAOYSA-N -1 3 388.265 3.678 20 0 GHADHM CC[C@@H](Cc1cccc(Br)c1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473857480 852965255 /nfs/dbraw/zinc/96/52/55/852965255.db2.gz RYEOBEFRAGNALM-BBRMVZONSA-N -1 3 392.297 3.653 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473859043 852987822 /nfs/dbraw/zinc/98/78/22/852987822.db2.gz TYIZYKJCBSOBNO-MRXNPFEDSA-N -1 3 392.297 3.797 20 0 GHADHM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000507512913 852991811 /nfs/dbraw/zinc/99/18/11/852991811.db2.gz VIGAGRNMZLZFOW-ZDUSSCGKSA-N -1 3 380.275 3.945 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000437381761 853078844 /nfs/dbraw/zinc/07/88/44/853078844.db2.gz CYAXQAOPKWYYJZ-UHFFFAOYSA-N -1 3 399.241 3.638 20 0 GHADHM CN(Cc1cccc([O-])c1Cl)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000507653480 853140167 /nfs/dbraw/zinc/14/01/67/853140167.db2.gz LYEOGAGCPOAXBK-CYBMUJFWSA-N -1 3 389.801 3.936 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4ccc(C)cc4)no3)nc21 ZINC000157777196 862433163 /nfs/dbraw/zinc/43/31/63/862433163.db2.gz LWJDPVSCZJCJOF-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000490673784 853166726 /nfs/dbraw/zinc/16/67/26/853166726.db2.gz QABDNZRCUXAVSD-UHFFFAOYSA-N -1 3 378.222 3.800 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000913302033 853217397 /nfs/dbraw/zinc/21/73/97/853217397.db2.gz LNUFVIBXIHGFAP-UONOGXRCSA-N -1 3 379.416 3.583 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000913302033 853217405 /nfs/dbraw/zinc/21/74/05/853217405.db2.gz LNUFVIBXIHGFAP-UONOGXRCSA-N -1 3 379.416 3.583 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000439053099 853238792 /nfs/dbraw/zinc/23/87/92/853238792.db2.gz FTYOUNBUXMTZLY-FQEVSTJZSA-N -1 3 390.483 3.855 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1OC ZINC000481869743 862445718 /nfs/dbraw/zinc/44/57/18/862445718.db2.gz OWXOYXHYCPWXAO-UHFFFAOYSA-N -1 3 398.912 3.528 20 0 GHADHM Cn1c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc2cc(C(F)(F)F)ccc21 ZINC000439145852 853342247 /nfs/dbraw/zinc/34/22/47/853342247.db2.gz YIFCEJXAUXIATK-UHFFFAOYSA-N -1 3 385.349 3.656 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCc3ccc(C(C)(C)C)cc3)c(=O)c2c(OC)c1 ZINC000623840010 862455056 /nfs/dbraw/zinc/45/50/56/862455056.db2.gz KBJHMNXYXULNOZ-UHFFFAOYSA-N -1 3 394.471 3.773 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000517097511 853361692 /nfs/dbraw/zinc/36/16/92/853361692.db2.gz QPQISNNSPPGUTI-UHFFFAOYSA-N -1 3 397.434 3.976 20 0 GHADHM O=C(NCc1ccc(C2CCC2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000519679785 853367388 /nfs/dbraw/zinc/36/73/88/853367388.db2.gz ODSAWEIBJGUISD-FQEVSTJZSA-N -1 3 378.472 3.581 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1CCCS1 ZINC000439171673 853367931 /nfs/dbraw/zinc/36/79/31/853367931.db2.gz QIEJMSURVMEMOC-GFCCVEGCSA-N -1 3 386.702 3.749 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000517135691 853421804 /nfs/dbraw/zinc/42/18/04/853421804.db2.gz WJTPVOJBGSAHJQ-UHFFFAOYSA-N -1 3 377.462 3.746 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cnc(C(F)(F)F)nc1 ZINC000426328355 853468825 /nfs/dbraw/zinc/46/88/25/853468825.db2.gz YCOABFHYBBZFQU-UHFFFAOYSA-N -1 3 399.785 3.843 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Br)s1 ZINC000604772873 862470269 /nfs/dbraw/zinc/47/02/69/862470269.db2.gz UFMDDVPYFCUHAQ-OIBJUYFYSA-N -1 3 394.262 3.623 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000570901915 853500016 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O=C(Cn1c2ccccc2nc1C(F)(F)F)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519998380 853738930 /nfs/dbraw/zinc/73/89/30/853738930.db2.gz BJPGNYHFWTWHFK-UHFFFAOYSA-N -1 3 385.349 3.506 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCCOc1cccc(Br)c1 ZINC000732804417 862503044 /nfs/dbraw/zinc/50/30/44/862503044.db2.gz JPAFIURYNADRQI-UHFFFAOYSA-N -1 3 378.266 3.899 20 0 GHADHM Cc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cccc1-c1ncco1 ZINC000571473606 853888844 /nfs/dbraw/zinc/88/88/44/853888844.db2.gz HXQBWKYEFRSIPL-UHFFFAOYSA-N -1 3 375.450 3.877 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCC2CCCCC2)ccc1F ZINC000032023167 853972902 /nfs/dbraw/zinc/97/29/02/853972902.db2.gz ZUCHNRQQHNTTCM-UHFFFAOYSA-N -1 3 384.517 3.603 20 0 GHADHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000055580883 854013557 /nfs/dbraw/zinc/01/35/57/854013557.db2.gz FOOLGIKNQLBPRM-UHFFFAOYSA-N -1 3 393.896 3.576 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000729486857 854038405 /nfs/dbraw/zinc/03/84/05/854038405.db2.gz GCIZRCHIDPOIRT-AWEZNQCLSA-N -1 3 388.320 3.855 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NS(=O)(=O)C=Cc3ccc(C)cc3)c2)n1 ZINC000055621068 854045559 /nfs/dbraw/zinc/04/55/59/854045559.db2.gz KMNWYIMIRQUXDY-QXMHVHEDSA-N -1 3 395.484 3.720 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000055663483 854050449 /nfs/dbraw/zinc/05/04/49/854050449.db2.gz XSFMPJPQTHYXRA-UHFFFAOYSA-N -1 3 382.844 3.715 20 0 GHADHM O=c1nc(CN2CCC[C@@H]([C@H]3CCOC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000441275696 854061850 /nfs/dbraw/zinc/06/18/50/854061850.db2.gz IGIKOUJGSBJBGD-KGLIPLIRSA-N -1 3 385.489 3.905 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1OCCC ZINC000473901955 854205671 /nfs/dbraw/zinc/20/56/71/854205671.db2.gz JXSLRMGMLGXMQW-UHFFFAOYSA-N -1 3 395.463 3.620 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1OCCC ZINC000473901955 854205676 /nfs/dbraw/zinc/20/56/76/854205676.db2.gz JXSLRMGMLGXMQW-UHFFFAOYSA-N -1 3 395.463 3.620 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000473938311 854341683 /nfs/dbraw/zinc/34/16/83/854341683.db2.gz FESZCFPTTCIYPT-KBPBESRZSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000473938311 854341688 /nfs/dbraw/zinc/34/16/88/854341688.db2.gz FESZCFPTTCIYPT-KBPBESRZSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000112861754 854348763 /nfs/dbraw/zinc/34/87/63/854348763.db2.gz CWGZMZSHHCNGAB-UHFFFAOYSA-N -1 3 398.419 3.688 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163775999 862556102 /nfs/dbraw/zinc/55/61/02/862556102.db2.gz QWIJZEIAAPGBCS-SFHVURJKSA-N -1 3 382.439 3.948 20 0 GHADHM CSc1cc(C(=O)N=c2[nH][n-]cc2Br)c(Cl)cc1Cl ZINC000579268645 854355651 /nfs/dbraw/zinc/35/56/51/854355651.db2.gz MPGUXZVFDSOFNE-UHFFFAOYSA-N -1 3 381.082 3.875 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)C(C)C)cc1 ZINC000588675039 854371292 /nfs/dbraw/zinc/37/12/92/854371292.db2.gz PHHMYTYKRUPESR-KRWDZBQOSA-N -1 3 385.432 3.658 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000051054676 854376870 /nfs/dbraw/zinc/37/68/70/854376870.db2.gz DZVNSUMSFDHNDR-GJZGRUSLSA-N -1 3 396.491 3.598 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000328687141 854509008 /nfs/dbraw/zinc/50/90/08/854509008.db2.gz YURFXDSJNCADSL-AWEZNQCLSA-N -1 3 397.846 3.986 20 0 GHADHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000328695700 854512634 /nfs/dbraw/zinc/51/26/34/854512634.db2.gz KPFJQIMYVROZDG-CABCVRRESA-N -1 3 387.443 3.635 20 0 GHADHM CC(C)c1ccc(Oc2cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)ccn2)cc1 ZINC000866899901 854554571 /nfs/dbraw/zinc/55/45/71/854554571.db2.gz YHKQXZUHDCSECL-UHFFFAOYSA-N -1 3 390.443 3.691 20 0 GHADHM Cc1cc2c[nH]nc2c(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1 ZINC000068435183 854584282 /nfs/dbraw/zinc/58/42/82/854584282.db2.gz OAJMWPLBFPMPFZ-UHFFFAOYSA-N -1 3 384.509 3.726 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000729492844 854661974 /nfs/dbraw/zinc/66/19/74/854661974.db2.gz MNWWYZHOLMLFBM-KCJUWKMLSA-N -1 3 382.707 3.578 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000589160192 854731673 /nfs/dbraw/zinc/73/16/73/854731673.db2.gz AERNVUWURFFHLM-UHFFFAOYSA-N -1 3 378.432 3.937 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H]2COc2ccccc2)nc2c3ccccc3oc21 ZINC000112985139 854779484 /nfs/dbraw/zinc/77/94/84/854779484.db2.gz NXHDPKOXNCNHFE-HNNXBMFYSA-N -1 3 375.428 3.713 20 0 GHADHM CCC(CC)(CNC(=O)NCc1ccc([O-])c(Br)c1)SC ZINC000765800381 854864698 /nfs/dbraw/zinc/86/46/98/854864698.db2.gz KGTJNEUGGIEZOY-UHFFFAOYSA-N -1 3 375.332 3.876 20 0 GHADHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC001212158155 854874713 /nfs/dbraw/zinc/87/47/13/854874713.db2.gz LMLYEQSTUQHNDE-XPTSAGLGSA-N -1 3 396.734 3.584 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c([O-])c1 ZINC000536335877 854923325 /nfs/dbraw/zinc/92/33/25/854923325.db2.gz NUSPHPHNTZSSGX-UHFFFAOYSA-N -1 3 385.807 3.660 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)c3ccccc3c2)[n-]1 ZINC000590342846 855368001 /nfs/dbraw/zinc/36/80/01/855368001.db2.gz BYEKKJYTFCYLBU-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(Br)c3ccccc3c2)c[n-]1 ZINC000590342846 855368009 /nfs/dbraw/zinc/36/80/09/855368009.db2.gz BYEKKJYTFCYLBU-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cccc(F)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000160044907 855398078 /nfs/dbraw/zinc/39/80/78/855398078.db2.gz MJHJFFRNAHIAOZ-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000441507268 855535594 /nfs/dbraw/zinc/53/55/94/855535594.db2.gz UVOYJCDFBIIUNB-LJQANCHMSA-N -1 3 382.439 3.585 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000590815833 855618531 /nfs/dbraw/zinc/61/85/31/855618531.db2.gz AYNQWMUBVKIONK-HXUWFJFHSA-N -1 3 375.472 3.851 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000520570296 855680488 /nfs/dbraw/zinc/68/04/88/855680488.db2.gz BKHIJODHQZSMCS-UHFFFAOYSA-N -1 3 382.419 3.653 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cc(F)ccc3F)c2)n1 ZINC000053061137 855694027 /nfs/dbraw/zinc/69/40/27/855694027.db2.gz MZTYFRGLOCPZPA-UHFFFAOYSA-N -1 3 383.398 3.849 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3ccccc3)ns2)nnn1-c1cccc(Cl)c1 ZINC000108306211 855814195 /nfs/dbraw/zinc/81/41/95/855814195.db2.gz CRIWZLYKDJIVGO-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM O=c1[n-]c(CN2CC3(CCC3)[C@H]2C2CCOCC2)nc2c3ccccc3oc21 ZINC000573114363 855849340 /nfs/dbraw/zinc/84/93/40/855849340.db2.gz SOIDZCSTJHNKCM-HXUWFJFHSA-N -1 3 379.460 3.863 20 0 GHADHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000591391847 855954264 /nfs/dbraw/zinc/95/42/64/855954264.db2.gz XFZLMYVVYSQFRS-UHFFFAOYSA-N -1 3 390.288 3.749 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000509220637 855992083 /nfs/dbraw/zinc/99/20/83/855992083.db2.gz YDMAPNWJCCEVLC-MNOVXSKESA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cnccc1C(F)(F)F ZINC000442760301 856091387 /nfs/dbraw/zinc/09/13/87/856091387.db2.gz UHWAKVDDCGZFEV-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000171332131 856093788 /nfs/dbraw/zinc/09/37/88/856093788.db2.gz SSXBYAWNBJDUGU-UHFFFAOYSA-N -1 3 375.368 3.575 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccnc(OCC(F)F)c1 ZINC000485107830 856118957 /nfs/dbraw/zinc/11/89/57/856118957.db2.gz SRSQCMYUPMBLRG-UHFFFAOYSA-N -1 3 385.330 3.509 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccnc(OCC(F)F)c1 ZINC000485107830 856118961 /nfs/dbraw/zinc/11/89/61/856118961.db2.gz SRSQCMYUPMBLRG-UHFFFAOYSA-N -1 3 385.330 3.509 20 0 GHADHM CCCNC(=O)c1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485109208 856121359 /nfs/dbraw/zinc/12/13/59/856121359.db2.gz WZJLESOLKNBAAX-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM CCCNC(=O)c1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485109208 856121365 /nfs/dbraw/zinc/12/13/65/856121365.db2.gz WZJLESOLKNBAAX-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c(C)c1 ZINC000029048511 856138399 /nfs/dbraw/zinc/13/83/99/856138399.db2.gz IVXUCMDLPKJNJH-UHFFFAOYSA-N -1 3 388.489 3.630 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)[C@@H](c1ccccc1)n1cccn1 ZINC000485147237 856145344 /nfs/dbraw/zinc/14/53/44/856145344.db2.gz ZDVSFDBJRSIAQR-GOSISDBHSA-N -1 3 384.399 3.643 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H](c1ccccc1)n1cccn1 ZINC000485147237 856145352 /nfs/dbraw/zinc/14/53/52/856145352.db2.gz ZDVSFDBJRSIAQR-GOSISDBHSA-N -1 3 384.399 3.643 20 0 GHADHM C[C@H](N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000031406166 856166580 /nfs/dbraw/zinc/16/65/80/856166580.db2.gz CYJCUZIFGSNXPO-NSHDSACASA-N -1 3 395.352 3.555 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c1F ZINC000485168765 856183127 /nfs/dbraw/zinc/18/31/27/856183127.db2.gz NBJMHWLSCKFDNV-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000031715672 856185246 /nfs/dbraw/zinc/18/52/46/856185246.db2.gz CSFWOVSYHSOKMR-AWEZNQCLSA-N -1 3 378.469 3.743 20 0 GHADHM O=C([N-]OC1CCCC1)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000760872093 856221858 /nfs/dbraw/zinc/22/18/58/856221858.db2.gz CKUJMTHVYCLKLT-UHFFFAOYSA-N -1 3 385.645 3.548 20 0 GHADHM O=C(NOC1CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760872093 856221868 /nfs/dbraw/zinc/22/18/68/856221868.db2.gz CKUJMTHVYCLKLT-UHFFFAOYSA-N -1 3 385.645 3.548 20 0 GHADHM C[C@H](CCCNCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405293566 856233469 /nfs/dbraw/zinc/23/34/69/856233469.db2.gz JIOHVBFDWXHQLJ-SECBINFHSA-N -1 3 381.641 3.535 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)cs2)o1 ZINC000033158422 856280234 /nfs/dbraw/zinc/28/02/34/856280234.db2.gz KYBVCZJERXQMIP-UHFFFAOYSA-N -1 3 380.422 3.506 20 0 GHADHM Cc1ccccc1OCCCN[C@H](C(=O)[O-])c1ccccc1Br ZINC000905400189 856302466 /nfs/dbraw/zinc/30/24/66/856302466.db2.gz JJRXRBMXNNOEGC-KRWDZBQOSA-N -1 3 378.266 3.942 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(-c3cccs3)no2)c1 ZINC000109460575 856310860 /nfs/dbraw/zinc/31/08/60/856310860.db2.gz XZZPGKAIDNTJBF-UHFFFAOYSA-N -1 3 390.421 3.733 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1F ZINC000041573392 856317548 /nfs/dbraw/zinc/31/75/48/856317548.db2.gz UMRYQALZCYROIF-UHFFFAOYSA-N -1 3 392.315 3.906 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nnc(C(C)(C)C)s3)c2)n1 ZINC000280979217 862788354 /nfs/dbraw/zinc/78/83/54/862788354.db2.gz PGWRBZVVGMQBPZ-UHFFFAOYSA-N -1 3 383.477 3.813 20 0 GHADHM CCc1noc([C@H]2CC[C@H]([N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)n1 ZINC000921794026 856451310 /nfs/dbraw/zinc/45/13/10/856451310.db2.gz GZONOFRQZJJVCB-UWVGGRQHSA-N -1 3 390.292 3.553 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(N3CCCC3)nc2)s1 ZINC000905673946 856466310 /nfs/dbraw/zinc/46/63/10/856466310.db2.gz LOCQZXXUMOEPNP-UHFFFAOYSA-N -1 3 389.481 3.738 20 0 GHADHM O=C(C[C@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1)c1cccs1 ZINC000472263572 856559622 /nfs/dbraw/zinc/55/96/22/856559622.db2.gz JFAMCACHPHBKFA-INIZCTEOSA-N -1 3 381.453 3.721 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(F)c1 ZINC000181245813 862810537 /nfs/dbraw/zinc/81/05/37/862810537.db2.gz KQMBUPGNBVIQGL-UHFFFAOYSA-N -1 3 378.347 3.828 20 0 GHADHM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472443351 856711378 /nfs/dbraw/zinc/71/13/78/856711378.db2.gz TWRSRRZHROQYTN-UHFFFAOYSA-N -1 3 390.439 3.579 20 0 GHADHM CN1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000472432811 856711874 /nfs/dbraw/zinc/71/18/74/856711874.db2.gz MSTXBTDYKBAXKJ-FPOVZHCZSA-N -1 3 382.410 3.999 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1 ZINC000151468353 856812776 /nfs/dbraw/zinc/81/27/76/856812776.db2.gz PZXSSAJPGJEYJQ-CYBMUJFWSA-N -1 3 393.303 3.648 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cc(F)ccc1Cl ZINC000111333594 856890752 /nfs/dbraw/zinc/89/07/52/856890752.db2.gz NNCDTIXLNCNUFZ-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCOc1ccc2ccccc2c1 ZINC000485683981 856944976 /nfs/dbraw/zinc/94/49/76/856944976.db2.gz AZMFOQNLKGPEGF-UHFFFAOYSA-N -1 3 384.457 3.619 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)cc1Cl)c1ccc(Cl)nc1Cl ZINC000733319450 862863361 /nfs/dbraw/zinc/86/33/61/862863361.db2.gz ZOVZIJBRAHCPHS-UHFFFAOYSA-N -1 3 383.659 3.702 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@@H]1COc2c1cccc2Cl ZINC000675131164 857035043 /nfs/dbraw/zinc/03/50/43/857035043.db2.gz RSWQXSGDJKTBDO-QGZVFWFLSA-N -1 3 390.848 3.548 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)sc1Br ZINC000675152320 857039958 /nfs/dbraw/zinc/03/99/58/857039958.db2.gz YUIXDQMYRDPXMP-LLVKDONJSA-N -1 3 396.372 3.693 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)cc1Cl ZINC000592821517 857102472 /nfs/dbraw/zinc/10/24/72/857102472.db2.gz NAWZYUWTFVYUKM-MRXNPFEDSA-N -1 3 396.871 3.712 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)cc1OC ZINC000508234951 857104580 /nfs/dbraw/zinc/10/45/80/857104580.db2.gz IXTGQUISAJFNPP-LSDHHAIUSA-N -1 3 397.541 3.793 20 0 GHADHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000592859990 857111588 /nfs/dbraw/zinc/11/15/88/857111588.db2.gz RRWYINDATQMENM-UHFFFAOYSA-N -1 3 395.850 3.695 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000668556402 857117817 /nfs/dbraw/zinc/11/78/17/857117817.db2.gz SZLNVNIHNHWZOQ-MRXNPFEDSA-N -1 3 390.892 3.645 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)[N-]c3cnoc3)s2)CC1 ZINC000906484380 857132291 /nfs/dbraw/zinc/13/22/91/857132291.db2.gz WEIQFMLHARDKMI-UHFFFAOYSA-N -1 3 392.481 3.573 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)n1 ZINC000064342730 857133383 /nfs/dbraw/zinc/13/33/83/857133383.db2.gz PLQKSHQWFXSYPG-UHFFFAOYSA-N -1 3 377.444 3.886 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1F ZINC000057124178 857149286 /nfs/dbraw/zinc/14/92/86/857149286.db2.gz RNFGGLSYZCYCQH-UHFFFAOYSA-N -1 3 397.468 3.687 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)o1 ZINC000485870961 857171157 /nfs/dbraw/zinc/17/11/57/857171157.db2.gz AAJLAWNKVSBKAB-UHFFFAOYSA-N -1 3 375.450 3.511 20 0 GHADHM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000785478022 857172113 /nfs/dbraw/zinc/17/21/13/857172113.db2.gz DXVFRDCXVVKDLS-SNVBAGLBSA-N -1 3 378.803 3.663 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1nc(C)cs1 ZINC000906582384 857181218 /nfs/dbraw/zinc/18/12/18/857181218.db2.gz MVJRBBWDODURAT-SNVBAGLBSA-N -1 3 390.253 3.968 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000672383698 857225286 /nfs/dbraw/zinc/22/52/86/857225286.db2.gz NUKDJMWDMSCAGP-VIFPVBQESA-N -1 3 393.456 3.894 20 0 GHADHM COc1cccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000605258472 862890723 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O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442236102 857663685 /nfs/dbraw/zinc/66/36/85/857663685.db2.gz JSUXLPLSTBSHMC-UHFFFAOYSA-N -1 3 386.807 3.546 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000605319598 862941688 /nfs/dbraw/zinc/94/16/88/862941688.db2.gz DFQFWQGKZBIKMM-CQSZACIVSA-N -1 3 395.349 3.650 20 0 GHADHM CC(C)C[C@@]1(CO)CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907675019 857727267 /nfs/dbraw/zinc/72/72/67/857727267.db2.gz SZKBGDWMWQDSEG-GOSISDBHSA-N -1 3 383.514 3.503 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cnn(CC(F)(F)F)c3)cc2)cc(=O)[n-]1 ZINC000605323325 862946517 /nfs/dbraw/zinc/94/65/17/862946517.db2.gz RACCMPQTKBZNSG-UHFFFAOYSA-N -1 3 392.341 3.560 20 0 GHADHM Cc1ncc(CNC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(=O)[n-]1 ZINC000669508257 857769099 /nfs/dbraw/zinc/76/90/99/857769099.db2.gz QNFZWCGEIBVESQ-AWEZNQCLSA-N -1 3 395.488 3.541 20 0 GHADHM CC(C)c1ccc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c([O-])c1 ZINC000065636721 857829345 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20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1c(Cl)cccc1Br ZINC000384145068 859763406 /nfs/dbraw/zinc/76/34/06/859763406.db2.gz OGXCGDNYYBUCSQ-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN([C@@H](C)c4ccsc4)CC3)cc(=O)oc12 ZINC000765078643 859778254 /nfs/dbraw/zinc/77/82/54/859778254.db2.gz NUXLOEAQFWSNFA-HNNXBMFYSA-N -1 3 384.501 3.747 20 0 GHADHM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000765103849 859788173 /nfs/dbraw/zinc/78/81/73/859788173.db2.gz ICHVSPKDLAANDF-CMDGGOBGSA-N -1 3 383.853 3.778 20 0 GHADHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000765244358 859863385 /nfs/dbraw/zinc/86/33/85/859863385.db2.gz UJWCXFQHISBNPS-BMIGLBTASA-N -1 3 392.279 3.923 20 0 GHADHM [O-]c1ccc(CNCc2ncc(Br)cc2Br)cc1F ZINC000474347697 859892972 /nfs/dbraw/zinc/89/29/72/859892972.db2.gz DWPGINHORRWWSF-UHFFFAOYSA-N -1 3 390.050 3.741 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H](c1ccccn1)C1CC1 ZINC000921525651 860019276 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C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)(C)C ZINC000112308124 860113635 /nfs/dbraw/zinc/11/36/35/860113635.db2.gz ZFUQTYWAPRHOBU-CYBMUJFWSA-N -1 3 378.469 3.791 20 0 GHADHM COc1cc(OC)c(CCNC(=O)c2cc([O-])c3ccccc3c2)c(OC)c1 ZINC000527161808 860169568 /nfs/dbraw/zinc/16/95/68/860169568.db2.gz AXSYGBRUKNHLTG-UHFFFAOYSA-N -1 3 381.428 3.544 20 0 GHADHM COc1ccc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c([O-])c1 ZINC000018160818 860195126 /nfs/dbraw/zinc/19/51/26/860195126.db2.gz ZMSRFFDOGFNLBC-UHFFFAOYSA-N -1 3 393.439 3.918 20 0 GHADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000842935925 860211134 /nfs/dbraw/zinc/21/11/34/860211134.db2.gz JCQUATYOBUUFDR-HVETUWLQSA-N -1 3 388.467 3.967 20 0 GHADHM C[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccc(Cl)cc1 ZINC000904220139 860242342 /nfs/dbraw/zinc/24/23/42/860242342.db2.gz LYKNRWGOXVSHHK-CQSZACIVSA-N -1 3 392.883 3.791 20 0 GHADHM Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000021893526 860247654 /nfs/dbraw/zinc/24/76/54/860247654.db2.gz DOHJTLQFEOAGNQ-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000474516021 860273196 /nfs/dbraw/zinc/27/31/96/860273196.db2.gz APUXQHQUCOGHHS-UHFFFAOYSA-N -1 3 385.445 3.775 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCc3nc4ccccc4s3)o2)CC1 ZINC000904240485 860278555 /nfs/dbraw/zinc/27/85/55/860278555.db2.gz VCNNCEVWNIHWRY-UHFFFAOYSA-N -1 3 385.489 3.523 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)c1nc(C2CC2)no1 ZINC000727836951 860287597 /nfs/dbraw/zinc/28/75/97/860287597.db2.gz ZLHSUAAZCCFJNE-KVPUOBJLSA-N -1 3 381.885 3.888 20 0 GHADHM C[C@H](COCC1CCCCC1)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904259074 860296618 /nfs/dbraw/zinc/29/66/18/860296618.db2.gz XIJGLNPVYYTKSH-MRXNPFEDSA-N -1 3 378.513 3.656 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000484755649 860324545 /nfs/dbraw/zinc/32/45/45/860324545.db2.gz MFVGWSMRTTXGLF-CYBMUJFWSA-N -1 3 386.395 3.733 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2C)cc1Cl ZINC000484782731 860346590 /nfs/dbraw/zinc/34/65/90/860346590.db2.gz KDTCDPZXITWAGU-IINYFYTJSA-N -1 3 390.908 3.931 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024893754 860359997 /nfs/dbraw/zinc/35/99/97/860359997.db2.gz SMSJFFYOCIHETQ-AWEZNQCLSA-N -1 3 376.478 3.589 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436562330 860364738 /nfs/dbraw/zinc/36/47/38/860364738.db2.gz IYALVMIBIMKHQO-UHFFFAOYSA-N -1 3 390.395 3.934 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)ccc1OC1CCCC1 ZINC000436585419 860374024 /nfs/dbraw/zinc/37/40/24/860374024.db2.gz QAPJUAFOUMPCJQ-ZDUSSCGKSA-N -1 3 399.443 3.942 20 0 GHADHM Cc1c([O-])ccc2c(CNC(C)(C)c3nc4ccccc4n3C)cc(=O)oc12 ZINC000186555315 860389919 /nfs/dbraw/zinc/38/99/19/860389919.db2.gz BILQWSZPIPSNOG-UHFFFAOYSA-N -1 3 377.444 3.719 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2cccc(F)c2)cc1OC ZINC000116177860 860457910 /nfs/dbraw/zinc/45/79/10/860457910.db2.gz IQVWNYBSTPSKKP-ZDUSSCGKSA-N -1 3 394.468 3.728 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000474697872 860651832 /nfs/dbraw/zinc/65/18/32/860651832.db2.gz PDMIUBIFQLSOSU-KRWDZBQOSA-N -1 3 387.553 3.602 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000443771850 860700514 /nfs/dbraw/zinc/70/05/14/860700514.db2.gz MGAONFPNOBGGGH-UHFFFAOYSA-N -1 3 389.864 3.792 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293702 881574679 /nfs/dbraw/zinc/57/46/79/881574679.db2.gz VOSSAXUTGRYDBQ-VIFPVBQESA-N -1 3 390.768 3.811 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000114451928 881577530 /nfs/dbraw/zinc/57/75/30/881577530.db2.gz XHKMVSNWPABIQU-UHFFFAOYSA-N -1 3 387.524 3.942 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000625053800 860784486 /nfs/dbraw/zinc/78/44/86/860784486.db2.gz KIIVGKFOMUCTOZ-INIZCTEOSA-N -1 3 398.912 3.538 20 0 GHADHM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000192705984 860918454 /nfs/dbraw/zinc/91/84/54/860918454.db2.gz VEYMLZQJBYBMAO-UHFFFAOYSA-N -1 3 396.468 3.635 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)c(C)c1 ZINC000179133652 861073418 /nfs/dbraw/zinc/07/34/18/861073418.db2.gz XSOQGOWGNQSLPW-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM COc1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc(OC)c1[O-] ZINC000179281880 861130674 /nfs/dbraw/zinc/13/06/74/861130674.db2.gz GAUPXQNYRRFFLC-MRXNPFEDSA-N -1 3 383.448 3.803 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c2)[n-]1 ZINC001128519912 861187650 /nfs/dbraw/zinc/18/76/50/861187650.db2.gz ZXRLEDCDFZUEEH-KBPBESRZSA-N -1 3 386.496 3.583 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c2)n[n-]1 ZINC001128519912 861187656 /nfs/dbraw/zinc/18/76/56/861187656.db2.gz ZXRLEDCDFZUEEH-KBPBESRZSA-N -1 3 386.496 3.583 20 0 GHADHM CN(Cc1cn(-c2cccc(Br)c2)nn1)Cc1cc([O-])cc(F)c1 ZINC000482440447 863124080 /nfs/dbraw/zinc/12/40/80/863124080.db2.gz REYCXCMHKPLLFA-UHFFFAOYSA-N -1 3 391.244 3.507 20 0 GHADHM Cc1ccccc1C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000482464005 863174881 /nfs/dbraw/zinc/17/48/81/863174881.db2.gz PHLXEADVSIXLCL-UHFFFAOYSA-N -1 3 389.293 3.994 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC000444047681 863205059 /nfs/dbraw/zinc/20/50/59/863205059.db2.gz FUBFQRGVAYDSNW-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCC(=O)NC1 ZINC000282562582 863232050 /nfs/dbraw/zinc/23/20/50/863232050.db2.gz BGTJOIOAIWHNHV-HXUWFJFHSA-N -1 3 381.457 3.524 20 0 GHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)ccc2[nH]1 ZINC000182498077 863249659 /nfs/dbraw/zinc/24/96/59/863249659.db2.gz ULYPKYITYMNDSA-UHFFFAOYSA-N -1 3 386.473 3.517 20 0 GHADHM CC(C)(CN=c1cc(NCC(C)(C)C(F)(F)F)n2[n-]cnc2n1)C(F)(F)F ZINC000515072713 863268642 /nfs/dbraw/zinc/26/86/42/863268642.db2.gz VVMFAIRGCAMVNP-UHFFFAOYSA-N -1 3 398.355 3.547 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)n1 ZINC000444082704 863347701 /nfs/dbraw/zinc/34/77/01/863347701.db2.gz IWCABPNNHZWCLG-UHFFFAOYSA-N -1 3 382.404 3.903 20 0 GHADHM Cc1ccc([C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc2)cc1 ZINC000482630331 863403568 /nfs/dbraw/zinc/40/35/68/863403568.db2.gz AENZKMCUUZOAKT-INIZCTEOSA-N -1 3 389.381 3.721 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000522814199 863436751 /nfs/dbraw/zinc/43/67/51/863436751.db2.gz KKFALBDHVXWRPN-GOSISDBHSA-N -1 3 390.277 3.931 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]S(=O)(=O)N(C)CC1CC1 ZINC000606342602 863523216 /nfs/dbraw/zinc/52/32/16/863523216.db2.gz GPAGHBFWHFRSLQ-UHFFFAOYSA-N -1 3 394.468 3.934 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(C3SCCCS3)cc2)[n-]1 ZINC000763643804 863844612 /nfs/dbraw/zinc/84/46/12/863844612.db2.gz VVDGAHJJDGTQEA-UHFFFAOYSA-N -1 3 377.491 3.707 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(C3SCCCS3)cc2)c[n-]1 ZINC000763643804 863844624 /nfs/dbraw/zinc/84/46/24/863844624.db2.gz VVDGAHJJDGTQEA-UHFFFAOYSA-N -1 3 377.491 3.707 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)c([O-])c1 ZINC001142578055 864025733 /nfs/dbraw/zinc/02/57/33/864025733.db2.gz LQMINCQYKOJUMH-QHCPKHFHSA-N -1 3 398.478 3.583 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCOCC1)c1ccc(Cl)cc1F ZINC000734501852 864256210 /nfs/dbraw/zinc/25/62/10/864256210.db2.gz VVDNECCGSCUGLS-GOSISDBHSA-N -1 3 383.872 3.925 20 0 GHADHM COc1ccc([C@H](NC(=O)N=c2cc3ccccn3[n-]2)c2ccc(C)cc2)cc1 ZINC000554411805 864282648 /nfs/dbraw/zinc/28/26/48/864282648.db2.gz GAGJOSFCELEBSG-JOCHJYFZSA-N -1 3 386.455 3.984 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C)c(Cl)cc1Cl ZINC000173115782 864367724 /nfs/dbraw/zinc/36/77/24/864367724.db2.gz NXWUYICZKJXZPW-LLVKDONJSA-N -1 3 393.336 3.552 20 0 GHADHM COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000192791100 864501741 /nfs/dbraw/zinc/50/17/41/864501741.db2.gz SYWBNPYMJYXWPG-UHFFFAOYSA-N -1 3 379.387 3.915 20 0 GHADHM CCc1cc2c(CN3CCC(OC)(C(F)(F)F)CC3)cc(=O)oc2cc1[O-] ZINC000842162042 864544142 /nfs/dbraw/zinc/54/41/42/864544142.db2.gz ULHCSWVFRIZSEL-UHFFFAOYSA-N -1 3 385.382 3.604 20 0 GHADHM CN(Cc1cc(Br)cn1C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621911604 864573022 /nfs/dbraw/zinc/57/30/22/864573022.db2.gz IGBULZBEZFXQRX-UHFFFAOYSA-N -1 3 391.187 3.784 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1ccccc1 ZINC000104733101 864606343 /nfs/dbraw/zinc/60/63/43/864606343.db2.gz VXOAJORMXRIGQX-CYBMUJFWSA-N -1 3 398.887 3.910 20 0 GHADHM CN(C)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000167914968 864804572 /nfs/dbraw/zinc/80/45/72/864804572.db2.gz DIDVXVDEIJUBSD-UHFFFAOYSA-N -1 3 394.711 3.586 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCOCC1 ZINC000671175932 864805907 /nfs/dbraw/zinc/80/59/07/864805907.db2.gz DILRUSKVTQSKQQ-LBPRGKRZSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C2CC2)s1 ZINC000173489158 864816047 /nfs/dbraw/zinc/81/60/47/864816047.db2.gz LJSHHLBDUVONGD-NSHDSACASA-N -1 3 378.306 3.583 20 0 GHADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000735666068 864915682 /nfs/dbraw/zinc/91/56/82/864915682.db2.gz MBJHFKDWOBXTBH-JXMROGBWSA-N -1 3 399.857 3.766 20 0 GHADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000735666068 864915689 /nfs/dbraw/zinc/91/56/89/864915689.db2.gz MBJHFKDWOBXTBH-JXMROGBWSA-N -1 3 399.857 3.766 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCN(c2cccc(F)c2F)CC1 ZINC000622375187 864953789 /nfs/dbraw/zinc/95/37/89/864953789.db2.gz QKBGUWVDXNYALM-UHFFFAOYSA-N -1 3 386.320 3.652 20 0 GHADHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000480621470 864985933 /nfs/dbraw/zinc/98/59/33/864985933.db2.gz DMCLUVLDQFBYMS-MRXNPFEDSA-N -1 3 385.888 3.795 20 0 GHADHM Cc1cccc(Nc2ccccc2C(=O)Nc2n[n-]c(SCCO)n2)c1C ZINC000475436962 865055841 /nfs/dbraw/zinc/05/58/41/865055841.db2.gz FUGFYISPMQCIAT-UHFFFAOYSA-N -1 3 383.477 3.502 20 0 GHADHM Cc1cncc(C(=O)O[C@H](C)c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)c1 ZINC000173792506 865081954 /nfs/dbraw/zinc/08/19/54/865081954.db2.gz YIPWDHJQZYAVSG-ZYHUDNBSSA-N -1 3 383.473 3.731 20 0 GHADHM Cn1nc2c(c1CNC(=O)c1cc(Cc3ccccc3)ccc1[O-])CCCC2 ZINC000622608460 865098145 /nfs/dbraw/zinc/09/81/45/865098145.db2.gz FPQAVRWHDXAOGX-UHFFFAOYSA-N -1 3 375.472 3.525 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)[C@@H](C)C1 ZINC000736239789 865159918 /nfs/dbraw/zinc/15/99/18/865159918.db2.gz IRIKCGJMFVRYHB-JKIFEVAISA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)[C@@H](C)C1 ZINC000736239789 865159930 /nfs/dbraw/zinc/15/99/30/865159930.db2.gz IRIKCGJMFVRYHB-JKIFEVAISA-N -1 3 395.463 3.593 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccc(F)cc4)C3)nc2)n1 ZINC000301187388 865214296 /nfs/dbraw/zinc/21/42/96/865214296.db2.gz TTWNBXIRXXBJFH-GOSISDBHSA-N -1 3 380.423 3.524 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@H](C)O)sc1Cl ZINC000480768296 865228252 /nfs/dbraw/zinc/22/82/52/865228252.db2.gz NMJMKFMFLGOQHX-SUMWQHHRSA-N -1 3 387.954 3.618 20 0 GHADHM COC(=O)[C@H](Sc1cc(C)c2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899606 865310567 /nfs/dbraw/zinc/31/05/67/865310567.db2.gz CABUUUQNFIETSA-GOSISDBHSA-N -1 3 391.456 3.730 20 0 GHADHM COC(=O)[C@H](Sc1cc(C)c2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899606 865310585 /nfs/dbraw/zinc/31/05/85/865310585.db2.gz CABUUUQNFIETSA-GOSISDBHSA-N -1 3 391.456 3.730 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3cc(Cl)ccc3-c3nnn[n-]3)C2)cc1F ZINC000737660197 865420434 /nfs/dbraw/zinc/42/04/34/865420434.db2.gz OTLTWXOWVOMCPG-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@H](CNc3cc(Cl)ccc3-c3nn[n-]n3)C2)cc1F ZINC000737660197 865420443 /nfs/dbraw/zinc/42/04/43/865420443.db2.gz OTLTWXOWVOMCPG-LLVKDONJSA-N -1 3 390.825 3.737 20 0 GHADHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1OC ZINC000737866893 865449759 /nfs/dbraw/zinc/44/97/59/865449759.db2.gz 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COc1cccc(CO[C@H](C)C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000622891111 865703169 /nfs/dbraw/zinc/70/31/69/865703169.db2.gz GDNIPVGGIJEKGI-CYBMUJFWSA-N -1 3 385.851 3.704 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)nc2)n1 ZINC000302524598 865835639 /nfs/dbraw/zinc/83/56/39/865835639.db2.gz JRYVIOAXAZQIHC-SCLBCKFNSA-N -1 3 396.413 3.702 20 0 GHADHM COc1cc(Br)c(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1OC ZINC000629373419 865852407 /nfs/dbraw/zinc/85/24/07/865852407.db2.gz LYMBFXJOOIHFFH-VNHYZAJKSA-N -1 3 398.297 3.542 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccnc(-n4cccn4)c3)nc(=O)c2c1C ZINC000740345881 865906608 /nfs/dbraw/zinc/90/66/08/865906608.db2.gz JBRLSEZGBNIIFG-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM COc1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(OC)c(C)c1OC ZINC000623025923 865930610 /nfs/dbraw/zinc/93/06/10/865930610.db2.gz YCPPNGXOGOYUAQ-UHFFFAOYSA-N -1 3 385.338 3.998 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@]34CCCc3ccccc34)cc2)n1 ZINC000174665648 865933009 /nfs/dbraw/zinc/93/30/09/865933009.db2.gz VKAUYXJPQDYZAQ-YKSBVNFPSA-N -1 3 385.467 3.978 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000174611188 865937580 /nfs/dbraw/zinc/93/75/80/865937580.db2.gz PCKQBIJNNAPKFQ-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM O=C(C[C@H]1CCC(F)(F)C1)Nc1cc(I)ccc1[O-] ZINC000797959346 866012473 /nfs/dbraw/zinc/01/24/73/866012473.db2.gz KNERUERXDGQDFS-MRVPVSSYSA-N -1 3 381.160 3.761 20 0 GHADHM O=C1[N-]C(=O)/C(=C\N[C@@H](COCc2ccccc2)c2ccccc2)c2ccccc21 ZINC000740809673 866027924 /nfs/dbraw/zinc/02/79/24/866027924.db2.gz AGUDUMZQBHWVEW-AMCKHAKVSA-N -1 3 398.462 3.845 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(COC2CCCC2)cc1 ZINC000481228987 866065074 /nfs/dbraw/zinc/06/50/74/866065074.db2.gz MHQASSZLAHOXDQ-UHFFFAOYSA-N -1 3 383.374 3.604 20 0 GHADHM COc1cccn2ncc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)c12 ZINC000923849932 881940314 /nfs/dbraw/zinc/94/03/14/881940314.db2.gz MMJOOJQJZDIYLB-SNVBAGLBSA-N -1 3 398.444 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866471140 /nfs/dbraw/zinc/47/11/40/866471140.db2.gz WEMSXCCUWUPSSV-HNNXBMFYSA-N -1 3 388.895 3.648 20 0 GHADHM Cc1nc([C@@H]([N-]S(=O)(=O)CC2CCCCC2)c2ccc(Cl)cc2)no1 ZINC000179988539 866598569 /nfs/dbraw/zinc/59/85/69/866598569.db2.gz OWCXVVKYMBDAGL-INIZCTEOSA-N -1 3 383.901 3.621 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)s1 ZINC000478759328 866625957 /nfs/dbraw/zinc/62/59/57/866625957.db2.gz XESKLSLYMDOACL-CHWSQXEVSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000456439816 866646203 /nfs/dbraw/zinc/64/62/03/866646203.db2.gz DWABDGJOBHWBQV-NSHDSACASA-N -1 3 379.382 3.623 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(COc3ccc(F)cc3)c2)c(=O)[n-]1 ZINC000553058407 866717993 /nfs/dbraw/zinc/71/79/93/866717993.db2.gz VCUNGPAUEQDRPA-UHFFFAOYSA-N -1 3 381.407 3.698 20 0 GHADHM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)on1 ZINC000620503145 866806220 /nfs/dbraw/zinc/80/62/20/866806220.db2.gz YMBLOUCOVGOSHA-LLVKDONJSA-N -1 3 378.812 3.588 20 0 GHADHM Cc1c([O-])ccc2c(CN3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)cc(=O)oc12 ZINC000741798891 866821924 /nfs/dbraw/zinc/82/19/24/866821924.db2.gz XIYWHGOXYUGNSV-XCLFUZPHSA-N -1 3 383.419 3.908 20 0 GHADHM CC(C)(C)C(F)(F)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000620615826 866890660 /nfs/dbraw/zinc/89/06/60/866890660.db2.gz IGOFCIVYEMGXKR-UHFFFAOYSA-N -1 3 387.224 3.702 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)c1 ZINC000456711206 867003715 /nfs/dbraw/zinc/00/37/15/867003715.db2.gz FJBRDJGZSFHEMQ-UHFFFAOYSA-N -1 3 388.414 3.724 20 0 GHADHM O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1cccc2n[n-]nc21 ZINC000553278509 867091798 /nfs/dbraw/zinc/09/17/98/867091798.db2.gz VJGVCLNDQMKQOV-OAHLLOKOSA-N -1 3 376.338 3.738 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(=O)[n-]1 ZINC000444753017 867178783 /nfs/dbraw/zinc/17/87/83/867178783.db2.gz HEZNYXOILCGBFR-AWEZNQCLSA-N -1 3 391.752 3.554 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(N3CCN(C(C)C)CC3)c2)c(C)o1 ZINC000479136792 867206398 /nfs/dbraw/zinc/20/63/98/867206398.db2.gz YZVAFVQFHLIPGF-UHFFFAOYSA-N -1 3 391.537 3.536 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000742320734 867225444 /nfs/dbraw/zinc/22/54/44/867225444.db2.gz ZHMINMKLRGBBPO-OWYVNGRQSA-N -1 3 388.320 3.711 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000742320726 867226119 /nfs/dbraw/zinc/22/61/19/867226119.db2.gz ZHMINMKLRGBBPO-BIGNPOOSSA-N -1 3 388.320 3.711 20 0 GHADHM O=c1[n-]c(CN2CCO[C@H](CCc3ccccc3)C2)nc2c3ccccc3oc21 ZINC000542626975 867259666 /nfs/dbraw/zinc/25/96/66/867259666.db2.gz IABBRPKYUBKVOY-QGZVFWFLSA-N -1 3 389.455 3.915 20 0 GHADHM COc1cc(C(=O)N[C@H](C)Cc2ccccc2Br)cc(OC)c1[O-] ZINC000154547490 867458512 /nfs/dbraw/zinc/45/85/12/867458512.db2.gz AIGOPQYXORLWPR-LLVKDONJSA-N -1 3 394.265 3.533 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000523534894 867474528 /nfs/dbraw/zinc/47/45/28/867474528.db2.gz UMZCPUGQQNFPAU-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM CCOc1c(Br)cc(C(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000133237387 882086953 /nfs/dbraw/zinc/08/69/53/882086953.db2.gz KRKMPUMPQCCZRX-UHFFFAOYSA-N -1 3 398.228 3.631 20 0 GHADHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C1CC1 ZINC000479296171 867533618 /nfs/dbraw/zinc/53/36/18/867533618.db2.gz MWHOZTVJPHTHJN-UHFFFAOYSA-N -1 3 384.910 3.504 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000553541649 867667153 /nfs/dbraw/zinc/66/71/53/867667153.db2.gz WQFALYJXNJFKCY-WCQYABFASA-N -1 3 393.333 3.698 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743048681 867784882 /nfs/dbraw/zinc/78/48/82/867784882.db2.gz CPWQQEPEZHXKQQ-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000523730493 867860067 /nfs/dbraw/zinc/86/00/67/867860067.db2.gz YBXJUDFPCMFZEN-UHFFFAOYSA-N -1 3 390.278 3.783 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000793370819 882135049 /nfs/dbraw/zinc/13/50/49/882135049.db2.gz AHJLSFBGWFOEOE-AZUAARDMSA-N -1 3 390.443 3.844 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000156026526 868224873 /nfs/dbraw/zinc/22/48/73/868224873.db2.gz RFRLQYULCPSBAW-UHFFFAOYSA-N -1 3 396.818 3.950 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000156217298 868290647 /nfs/dbraw/zinc/29/06/47/868290647.db2.gz PPRMZHKGPOHAIK-UHFFFAOYSA-N -1 3 381.819 3.545 20 0 GHADHM COCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CC[C@H](C)C1 ZINC000479688822 868339187 /nfs/dbraw/zinc/33/91/87/868339187.db2.gz QEDREUNZNGWOCX-GXTWGEPZSA-N -1 3 385.302 3.501 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)c1[O-] ZINC000445381217 868358368 /nfs/dbraw/zinc/35/83/68/868358368.db2.gz UDHGTFJMSBRNAX-UHFFFAOYSA-N -1 3 394.214 3.939 20 0 GHADHM CC(C)c1ccc(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)c([O-])c1 ZINC000743700721 868370493 /nfs/dbraw/zinc/37/04/93/868370493.db2.gz IHFRBUWETTZGEM-UHFFFAOYSA-N -1 3 381.520 3.980 20 0 GHADHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1cccn1Cc1cccs1 ZINC000479757079 868432106 /nfs/dbraw/zinc/43/21/06/868432106.db2.gz QTWPTQIZFLIQKC-UHFFFAOYSA-N -1 3 385.399 3.914 20 0 GHADHM CCCCCNC(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000445439687 868448059 /nfs/dbraw/zinc/44/80/59/868448059.db2.gz GUQHFFDUWHEDIM-UHFFFAOYSA-N -1 3 379.460 3.882 20 0 GHADHM Cc1cc(Br)ccc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000445462344 882207500 /nfs/dbraw/zinc/20/75/00/882207500.db2.gz CSLNHUXWSNXPBB-UHFFFAOYSA-N -1 3 375.178 3.909 20 0 GHADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cn(C)c2ccccc12 ZINC000648431861 882208159 /nfs/dbraw/zinc/20/81/59/882208159.db2.gz HHDFXVHDQXLVTH-SNVBAGLBSA-N -1 3 384.789 3.755 20 0 GHADHM Nc1nc(C2CC2)ncc1-c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000445601027 868696552 /nfs/dbraw/zinc/69/65/52/868696552.db2.gz PMGRRCKNQJBGHE-UHFFFAOYSA-N -1 3 385.427 3.780 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCC1)c1cc(F)c(F)c(F)c1 ZINC000479924247 868703880 /nfs/dbraw/zinc/70/38/80/868703880.db2.gz YVPNBNIPFMLTMV-UHFFFAOYSA-N -1 3 384.423 3.573 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(CO)c3)cc2)cc1 ZINC000621138290 868780637 /nfs/dbraw/zinc/78/06/37/868780637.db2.gz LVUKHUYPWJGESF-UHFFFAOYSA-N -1 3 396.468 3.540 20 0 GHADHM C[C@H]1CCc2sc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)cc2C1 ZINC000648433561 882233477 /nfs/dbraw/zinc/23/34/77/882233477.db2.gz DOIAYLZRUSWBIW-QMMMGPOBSA-N -1 3 377.819 3.959 20 0 GHADHM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000158090959 868855977 /nfs/dbraw/zinc/85/59/77/868855977.db2.gz OARMBDDEMAMOSU-UHFFFAOYSA-N -1 3 381.399 3.734 20 0 GHADHM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000158090959 868855983 /nfs/dbraw/zinc/85/59/83/868855983.db2.gz OARMBDDEMAMOSU-UHFFFAOYSA-N -1 3 381.399 3.734 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3C(F)(F)F)nc21 ZINC000158417451 868942266 /nfs/dbraw/zinc/94/22/66/868942266.db2.gz LLHUDFIZTURFIG-UHFFFAOYSA-N -1 3 377.322 3.550 20 0 GHADHM CCC(C)(C)CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000744748572 869045618 /nfs/dbraw/zinc/04/56/18/869045618.db2.gz CKIUFHGGKKVMPB-UHFFFAOYSA-N -1 3 382.457 3.938 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000669820970 869055242 /nfs/dbraw/zinc/05/52/42/869055242.db2.gz PULUTPAPCDDDGA-UHFFFAOYSA-N -1 3 384.423 3.803 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)n1 ZINC000428785472 869192375 /nfs/dbraw/zinc/19/23/75/869192375.db2.gz ZXMHVKFASWHOQG-WBMJQRKESA-N -1 3 381.398 3.725 20 0 GHADHM CN(C)c1nc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)cs1 ZINC000857459263 882274347 /nfs/dbraw/zinc/27/43/47/882274347.db2.gz GZNQOZYNBGPEPJ-UHFFFAOYSA-N -1 3 380.247 3.924 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@](C)(O)Cc3ccccc3)nc(=O)c2c1C ZINC000745147542 869334850 /nfs/dbraw/zinc/33/48/50/869334850.db2.gz QFWDUWQSSGIETI-FKIZINRSSA-N -1 3 386.473 3.612 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@](C)(O)Cc3ccccc3)nc(=O)c2c1C ZINC000745147547 869334967 /nfs/dbraw/zinc/33/49/67/869334967.db2.gz QFWDUWQSSGIETI-ODXCJYRJSA-N -1 3 386.473 3.612 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)s1 ZINC000462457847 869487875 /nfs/dbraw/zinc/48/78/75/869487875.db2.gz JKMLJGWBPAHFCQ-UHFFFAOYSA-N -1 3 386.336 3.829 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)s1 ZINC000462459818 869491467 /nfs/dbraw/zinc/49/14/67/869491467.db2.gz OOBPRJRYHHBGPB-LLVKDONJSA-N -1 3 376.297 3.768 20 0 GHADHM Cc1nc2cc(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)ccc2n1C ZINC000524749705 869522539 /nfs/dbraw/zinc/52/25/39/869522539.db2.gz KPBCEQDQZJPPDO-UHFFFAOYSA-N -1 3 388.431 3.997 20 0 GHADHM COc1cc(C(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])cc(OC)c1OC ZINC000539705234 869631102 /nfs/dbraw/zinc/63/11/02/869631102.db2.gz BEZQCMDBTBVHCJ-UHFFFAOYSA-N -1 3 393.823 3.673 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000745653613 869722528 /nfs/dbraw/zinc/72/25/28/869722528.db2.gz RBXXQDYQUSVYLF-UHFFFAOYSA-N -1 3 397.305 3.629 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nc(-c3cccs3)no2)cc1[O-] ZINC000745654609 869723826 /nfs/dbraw/zinc/72/38/26/869723826.db2.gz XYFIFBQGWKRBMB-SECBINFHSA-N -1 3 389.389 3.600 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H](c2ccccc2)C1 ZINC000640298713 882330912 /nfs/dbraw/zinc/33/09/12/882330912.db2.gz OUJUBEKNTCBYQO-ZDUSSCGKSA-N -1 3 386.805 3.932 20 0 GHADHM CC(C)c1ncncc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000446372422 869759632 /nfs/dbraw/zinc/75/96/32/869759632.db2.gz ZZDZYDKDLQUGPX-UHFFFAOYSA-N -1 3 376.247 3.971 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Sc1ccccc1 ZINC000462632328 869799339 /nfs/dbraw/zinc/79/93/39/869799339.db2.gz OMMSTSDLNODSNW-JTQLQIEISA-N -1 3 392.365 3.970 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(Cl)c1 ZINC000462662962 869863489 /nfs/dbraw/zinc/86/34/89/869863489.db2.gz PREWJCYVFDEWBJ-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1 ZINC000462700574 869916299 /nfs/dbraw/zinc/91/62/99/869916299.db2.gz JATBPBUYFURBIE-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM CN(C)c1nc(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)cc(=O)[n-]1 ZINC000462778338 870052727 /nfs/dbraw/zinc/05/27/27/870052727.db2.gz VKECNPODQIBPAQ-UHFFFAOYSA-N -1 3 395.290 3.575 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)c([O-])c1 ZINC000539970796 870130140 /nfs/dbraw/zinc/13/01/40/870130140.db2.gz PLKVRYFHSMWRKP-UHFFFAOYSA-N -1 3 392.411 3.892 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000122004221 882374781 /nfs/dbraw/zinc/37/47/81/882374781.db2.gz WJLJQCXRTHFRHQ-OAHLLOKOSA-N -1 3 379.229 3.781 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1OC ZINC000525220451 870190050 /nfs/dbraw/zinc/19/00/50/870190050.db2.gz QPLVNASNKSTGDN-RRFJBIMHSA-N -1 3 395.525 3.547 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(F)CCN(C(=O)c2ccc(C(C)(C)C)cc2[O-])C1 ZINC001192322738 870288195 /nfs/dbraw/zinc/28/81/95/870288195.db2.gz LSXOPSATOLHCIR-OAQYLSRUSA-N -1 3 394.487 3.769 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc4n[nH]cc4c3)CC2)c([O-])c1 ZINC001192322833 870288359 /nfs/dbraw/zinc/28/83/59/870288359.db2.gz PRNSDWDSMOKCAO-UHFFFAOYSA-N -1 3 378.476 3.528 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001192324945 870291024 /nfs/dbraw/zinc/29/10/24/870291024.db2.gz GHSGLSRTPJZGNN-WMLDXEAASA-N -1 3 388.508 3.771 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2[O-])C1 ZINC001192336459 870297902 /nfs/dbraw/zinc/29/79/02/870297902.db2.gz XBGVEEWONHJYIN-OTVXOJSOSA-N -1 3 376.497 3.723 20 0 GHADHM O=C([N-]C1(c2ccc(F)cc2F)CCOCC1)C(F)(F)Cc1ccccc1 ZINC000793745919 882403277 /nfs/dbraw/zinc/40/32/77/882403277.db2.gz SXNRWSQRFAUMKK-UHFFFAOYSA-N -1 3 381.369 3.965 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Cl)cc2Br)[n-]c1=O ZINC000193265573 870574001 /nfs/dbraw/zinc/57/40/01/870574001.db2.gz LVSUFZGYMFEALT-RMKNXTFCSA-N -1 3 397.656 3.923 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2n(C)c1=O ZINC000461613632 870589939 /nfs/dbraw/zinc/58/99/39/870589939.db2.gz MMXRWFAFSRRWGR-UHFFFAOYSA-N -1 3 389.411 3.627 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2n(C)c1=O ZINC000461613245 870591322 /nfs/dbraw/zinc/59/13/22/870591322.db2.gz ZUERRQLGJFIMRP-UHFFFAOYSA-N -1 3 399.878 3.687 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(-c4ccccc4Cl)o3)c([O-])cc21 ZINC000461621360 870645008 /nfs/dbraw/zinc/64/50/08/870645008.db2.gz UBJYJBHMRZFDED-UHFFFAOYSA-N -1 3 397.818 3.748 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)[n-]1 ZINC001192767657 870652554 /nfs/dbraw/zinc/65/25/54/870652554.db2.gz BCMROVHVBBCRSY-UHFFFAOYSA-N -1 3 398.033 3.847 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c[n-]1 ZINC001192767657 870652559 /nfs/dbraw/zinc/65/25/59/870652559.db2.gz BCMROVHVBBCRSY-UHFFFAOYSA-N -1 3 398.033 3.847 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001192760342 870676297 /nfs/dbraw/zinc/67/62/97/870676297.db2.gz CHXVWUGKXFTLOP-OAHLLOKOSA-N -1 3 376.840 3.650 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001192760341 870676455 /nfs/dbraw/zinc/67/64/55/870676455.db2.gz CHXVWUGKXFTLOP-HNNXBMFYSA-N -1 3 376.840 3.650 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)s2)n1 ZINC001192890606 870748173 /nfs/dbraw/zinc/74/81/73/870748173.db2.gz GOCQCWRAXDBBKX-UHFFFAOYSA-N -1 3 382.367 3.829 20 0 GHADHM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000249465189 870839063 /nfs/dbraw/zinc/83/90/63/870839063.db2.gz GMSFUGJQBZIHSV-SFHLNBCPSA-N -1 3 392.499 3.524 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000617771436 870881441 /nfs/dbraw/zinc/88/14/41/870881441.db2.gz SIAVLONCENZARO-UHFFFAOYSA-N -1 3 383.448 3.593 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2ccnc(Cl)c2)cc1 ZINC001193058615 870881519 /nfs/dbraw/zinc/88/15/19/870881519.db2.gz INBNYMVFXDOBLZ-UHFFFAOYSA-N -1 3 398.868 3.611 20 0 GHADHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000615239119 870949718 /nfs/dbraw/zinc/94/97/18/870949718.db2.gz GMKVFEFEOUFABF-UHFFFAOYSA-N -1 3 394.349 3.775 20 0 GHADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1cc(F)ccc1Br ZINC000461794613 870969403 /nfs/dbraw/zinc/96/94/03/870969403.db2.gz IHDDLYGMXMCBHC-UHFFFAOYSA-N -1 3 384.270 3.813 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000617876489 870978761 /nfs/dbraw/zinc/97/87/61/870978761.db2.gz RGEUBUYQLQJJMG-CQSZACIVSA-N -1 3 379.416 3.659 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c[n-]1 ZINC000617876489 870978770 /nfs/dbraw/zinc/97/87/70/870978770.db2.gz RGEUBUYQLQJJMG-CQSZACIVSA-N -1 3 379.416 3.659 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]1 ZINC000617870523 870983414 /nfs/dbraw/zinc/98/34/14/870983414.db2.gz WSPVLHWMDCLDEX-UHFFFAOYSA-N -1 3 395.259 3.876 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1 ZINC000617870523 870983423 /nfs/dbraw/zinc/98/34/23/870983423.db2.gz WSPVLHWMDCLDEX-UHFFFAOYSA-N -1 3 395.259 3.876 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cccc2sc(Br)cc21 ZINC001193284384 871003840 /nfs/dbraw/zinc/00/38/40/871003840.db2.gz YBICQMXLTVIRDH-UHFFFAOYSA-N -1 3 387.280 3.771 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cncc(C(F)(F)F)c2)[n-]c1-c1ccccc1 ZINC000461800696 871025819 /nfs/dbraw/zinc/02/58/19/871025819.db2.gz UZFCPCZCLKESHB-UHFFFAOYSA-N -1 3 381.379 3.773 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cncc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000461800696 871025837 /nfs/dbraw/zinc/02/58/37/871025837.db2.gz UZFCPCZCLKESHB-UHFFFAOYSA-N -1 3 381.379 3.773 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c(C)c1 ZINC001193427150 871103117 /nfs/dbraw/zinc/10/31/17/871103117.db2.gz FGJAQJYLMYGAQY-UHFFFAOYSA-N -1 3 390.505 3.737 20 0 GHADHM CCCc1nnc([N-]C(=O)c2sc(C)c(Br)c2OC)s1 ZINC000463184252 871118115 /nfs/dbraw/zinc/11/81/15/871118115.db2.gz RJJRKOLEPKMWOJ-UHFFFAOYSA-N -1 3 376.301 3.884 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2Cc2ccccc2)cc1F ZINC001193793318 871286335 /nfs/dbraw/zinc/28/63/35/871286335.db2.gz PENHSNOLZDMHDQ-KRWDZBQOSA-N -1 3 394.487 3.606 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)cc1O ZINC001193796787 871311580 /nfs/dbraw/zinc/31/15/80/871311580.db2.gz ZEPZFSJCQBWKIT-UHFFFAOYSA-N -1 3 378.194 3.542 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001193938863 871379810 /nfs/dbraw/zinc/37/98/10/871379810.db2.gz SEQWHOQHPUKHGC-UHFFFAOYSA-N -1 3 388.467 3.610 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001193921477 871394467 /nfs/dbraw/zinc/39/44/67/871394467.db2.gz MYXULLJUVWOMIS-PZJWPPBQSA-N -1 3 381.472 3.659 20 0 GHADHM C[C@@H](Nc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1)c1ccccc1 ZINC000463319839 871434499 /nfs/dbraw/zinc/43/44/99/871434499.db2.gz CPRNAYNIFAADOV-CQSZACIVSA-N -1 3 377.448 3.674 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)cc1 ZINC001142118464 871503047 /nfs/dbraw/zinc/50/30/47/871503047.db2.gz MLSQDWXPFWIQRZ-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142115 871537870 /nfs/dbraw/zinc/53/78/70/871537870.db2.gz PAIUDOQZLWSVLZ-UHFFFAOYSA-N -1 3 381.866 3.668 20 0 GHADHM O=S(=O)([N-]CCCO[C@@H]1CCCc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000462127075 871623765 /nfs/dbraw/zinc/62/37/65/871623765.db2.gz HJSBECYOORYDJU-GOSISDBHSA-N -1 3 399.434 3.867 20 0 GHADHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001194282653 871624645 /nfs/dbraw/zinc/62/46/45/871624645.db2.gz LYMLOLSGMAQTKO-UHFFFAOYSA-N -1 3 390.889 3.529 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc2c(Cl)c[nH]c(=O)c2c1 ZINC001194342529 871655828 /nfs/dbraw/zinc/65/58/28/871655828.db2.gz AGPURUGNJJSSSI-UHFFFAOYSA-N -1 3 384.244 3.751 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)c(Br)cc1F ZINC001169581329 871675453 /nfs/dbraw/zinc/67/54/53/871675453.db2.gz KRQJMOKQDKIFEE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)c(Br)cc1F ZINC001169581329 871675460 /nfs/dbraw/zinc/67/54/60/871675460.db2.gz KRQJMOKQDKIFEE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1CCC(=O)c2cccn21 ZINC000447505220 871716875 /nfs/dbraw/zinc/71/68/75/871716875.db2.gz UXWPWQWLDYPCCK-OAHLLOKOSA-N -1 3 389.242 3.763 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c(F)c1 ZINC001194491100 871745811 /nfs/dbraw/zinc/74/58/11/871745811.db2.gz VJPQBXISIKKMPF-UHFFFAOYSA-N -1 3 394.811 3.615 20 0 GHADHM CN1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3[O-])c(F)c2)CC1 ZINC001194541625 871781224 /nfs/dbraw/zinc/78/12/24/871781224.db2.gz HUYFBKWUKUXJJQ-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cn2ccnc2s1 ZINC000525957184 871793390 /nfs/dbraw/zinc/79/33/90/871793390.db2.gz RHTGBJKDNWIRNU-UHFFFAOYSA-N -1 3 391.478 3.931 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC[C@@H]2CC(C)(C)CO2)c(-c2ccccc2)s1 ZINC001194690484 871889586 /nfs/dbraw/zinc/88/95/86/871889586.db2.gz IFEZDEJHTAYJBN-OAHLLOKOSA-N -1 3 380.535 3.602 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2C)OCCO3)c(C)c1C ZINC001194865960 871998699 /nfs/dbraw/zinc/99/86/99/871998699.db2.gz AFGZLPGOYBUAGE-UHFFFAOYSA-N -1 3 377.462 3.501 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc3cccnc3c(OC)c2)c(C)c1C ZINC001194866301 871999416 /nfs/dbraw/zinc/99/94/16/871999416.db2.gz FPCAHYNXQFOFCM-UHFFFAOYSA-N -1 3 386.473 3.978 20 0 GHADHM CN(Cc1ccccc1NC([O-])=NO[C@@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000775625995 872057541 /nfs/dbraw/zinc/05/75/41/872057541.db2.gz UMRPELAGKYDCPD-MRXNPFEDSA-N -1 3 379.457 3.633 20 0 GHADHM CN(Cc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000775625995 872057561 /nfs/dbraw/zinc/05/75/61/872057561.db2.gz UMRPELAGKYDCPD-MRXNPFEDSA-N -1 3 379.457 3.633 20 0 GHADHM O=C(Nc1ccc2cc[nH]c2c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000447644329 872059767 /nfs/dbraw/zinc/05/97/67/872059767.db2.gz RQEDMQTXGFTGGH-UHFFFAOYSA-N -1 3 398.419 3.688 20 0 GHADHM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000552162892 872124993 /nfs/dbraw/zinc/12/49/93/872124993.db2.gz MKBPSMXICVDLFN-HXUWFJFHSA-N -1 3 395.499 3.635 20 0 GHADHM O=C([N-]c1ccc(Cl)c2nsnc21)c1ncc(Br)s1 ZINC001195070905 872152878 /nfs/dbraw/zinc/15/28/78/872152878.db2.gz FKLUDMWDBGVFLX-UHFFFAOYSA-N -1 3 375.660 3.816 20 0 GHADHM CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000618958637 872172651 /nfs/dbraw/zinc/17/26/51/872172651.db2.gz UMBILUNUKHOEHH-HXUWFJFHSA-N -1 3 390.480 3.935 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000618966091 872191823 /nfs/dbraw/zinc/19/18/23/872191823.db2.gz IPRYHKXDTBGOGD-FQEVSTJZSA-N -1 3 396.462 3.575 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000618966092 872192110 /nfs/dbraw/zinc/19/21/10/872192110.db2.gz IPRYHKXDTBGOGD-HXUWFJFHSA-N -1 3 396.462 3.575 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000540801647 872214848 /nfs/dbraw/zinc/21/48/48/872214848.db2.gz OLVISVSWSQETMG-UHFFFAOYSA-N -1 3 396.535 3.794 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1[O-] ZINC000667266899 872222691 /nfs/dbraw/zinc/22/26/91/872222691.db2.gz OKHYNLHCSZGGQX-UHFFFAOYSA-N -1 3 380.444 3.828 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767134774 872289760 /nfs/dbraw/zinc/28/97/60/872289760.db2.gz CZSDIKDCFACMIT-CYBMUJFWSA-N -1 3 387.361 3.984 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)c1ccc(F)c(C)c1 ZINC000767249239 872359464 /nfs/dbraw/zinc/35/94/64/872359464.db2.gz LRNGZQYSPMHNGB-DOOKAGJSSA-N -1 3 397.855 3.592 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)c(C)cc1O ZINC001195383590 872380327 /nfs/dbraw/zinc/38/03/27/872380327.db2.gz PZEPDBXOBGVADW-UHFFFAOYSA-N -1 3 383.853 3.558 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F)c1cscn1 ZINC001195445446 872392807 /nfs/dbraw/zinc/39/28/07/872392807.db2.gz KMQHCNOFSZJOFA-ZCFIWIBFSA-N -1 3 399.694 3.738 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000447871583 872402223 /nfs/dbraw/zinc/40/22/23/872402223.db2.gz LFARIJVXBQTVGM-RDDDGLTNSA-N -1 3 379.322 3.682 20 0 GHADHM O=S(=O)([N-]Cc1cnc2ccccc2c1)c1cc(Br)ccc1F ZINC001195495756 872446637 /nfs/dbraw/zinc/44/66/37/872446637.db2.gz BEZWPOFXZRPQSM-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C2CC2)n1 ZINC000447875869 872454855 /nfs/dbraw/zinc/45/48/55/872454855.db2.gz VMGIDGYYSMLIEM-CYBMUJFWSA-N -1 3 392.424 3.622 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC001195626560 872516518 /nfs/dbraw/zinc/51/65/18/872516518.db2.gz CKUZIDMIMKOBFL-HXUWFJFHSA-N -1 3 387.501 3.927 20 0 GHADHM CC(C)Nc1nc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cs1 ZINC001195688221 872552943 /nfs/dbraw/zinc/55/29/43/872552943.db2.gz MVTDCANHMMATJN-UHFFFAOYSA-N -1 3 377.466 3.877 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195658435 872565118 /nfs/dbraw/zinc/56/51/18/872565118.db2.gz DPMJKXVXKXCWGK-UHFFFAOYSA-N -1 3 396.550 3.869 20 0 GHADHM C[C@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000478133606 872580221 /nfs/dbraw/zinc/58/02/21/872580221.db2.gz ATFCBOMDYLUAKH-LSDHHAIUSA-N -1 3 390.480 3.793 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1c([O-])cccc1Cl ZINC000552434691 872643299 /nfs/dbraw/zinc/64/32/99/872643299.db2.gz WERAVDCQYAYAGI-UHFFFAOYSA-N -1 3 377.809 3.529 20 0 GHADHM Cc1c2ccccc2sc1[C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000767565957 872656916 /nfs/dbraw/zinc/65/69/16/872656916.db2.gz NJMWSVGFWZGFNJ-WBMJQRKESA-N -1 3 383.535 3.778 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc([O-])cc2)c1 ZINC001195810774 872680361 /nfs/dbraw/zinc/68/03/61/872680361.db2.gz MMQOBMYMVZVXPJ-UHFFFAOYSA-N -1 3 382.413 3.679 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1SC(F)(F)F)c1cccnc1Cl ZINC001195813393 872683842 /nfs/dbraw/zinc/68/38/42/872683842.db2.gz SWUDQXKPTKXCKM-UHFFFAOYSA-N -1 3 382.816 3.825 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(-c2ncc[nH]2)c1 ZINC000463854236 872761289 /nfs/dbraw/zinc/76/12/89/872761289.db2.gz IKXRTEKWOYCMIQ-UHFFFAOYSA-N -1 3 385.420 3.749 20 0 GHADHM Cn1cccc1-c1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])no1 ZINC001195999308 872798707 /nfs/dbraw/zinc/79/87/07/872798707.db2.gz LTUGTKJPTMGPQC-UHFFFAOYSA-N -1 3 383.404 3.593 20 0 GHADHM CC1(COc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2)COC1 ZINC001196036933 872847573 /nfs/dbraw/zinc/84/75/73/872847573.db2.gz VCLAIZPWWMUCBV-UHFFFAOYSA-N -1 3 392.249 3.822 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000767826576 872877768 /nfs/dbraw/zinc/87/77/68/872877768.db2.gz FBOLDNLWKROSKK-UHFFFAOYSA-N -1 3 395.365 3.959 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000552635845 872924503 /nfs/dbraw/zinc/92/45/03/872924503.db2.gz UCCWXOOIHVXEGX-MGPLVRAMSA-N -1 3 375.824 3.673 20 0 GHADHM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)C(C)C)n1 ZINC001196220375 872962388 /nfs/dbraw/zinc/96/23/88/872962388.db2.gz WULJLEVLWCMXBQ-SFHVURJKSA-N -1 3 385.445 3.953 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cn1 ZINC001196265126 872978006 /nfs/dbraw/zinc/97/80/06/872978006.db2.gz ZMUQBKGNQPRKQZ-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000527300076 872978745 /nfs/dbraw/zinc/97/87/45/872978745.db2.gz MMNBLDNJLWRFPY-MRXNPFEDSA-N -1 3 379.472 3.824 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1cccc(Br)n1 ZINC001196324139 873033482 /nfs/dbraw/zinc/03/34/82/873033482.db2.gz QNPBMBUKFGDJGX-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]Cc1cccc2sccc21)c1cccc(Br)n1 ZINC001196330723 873035684 /nfs/dbraw/zinc/03/56/84/873035684.db2.gz BGLOLPWJXZQJPJ-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1cccc(F)c1)c1cccc(Br)n1 ZINC001196340711 873043319 /nfs/dbraw/zinc/04/33/19/873043319.db2.gz DYLVRBVNDCTHNW-CQSZACIVSA-N -1 3 399.285 3.803 20 0 GHADHM Cc1ccccc1Cn1c2ccccc2nc1NC(=O)c1cccc2n[n-]nc21 ZINC000527361889 873081528 /nfs/dbraw/zinc/08/15/28/873081528.db2.gz HXRYUJOJMKYAGI-UHFFFAOYSA-N -1 3 382.427 3.917 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc3cc(Cl)ccc3c1)C(=O)N2 ZINC001196436718 873086318 /nfs/dbraw/zinc/08/63/18/873086318.db2.gz UCSLEOGEVRPXQJ-GOSISDBHSA-N -1 3 386.860 3.773 20 0 GHADHM O=C(Nc1cccc2cc[nH]c21)c1cc([O-])cc(I)c1 ZINC001196417893 873102852 /nfs/dbraw/zinc/10/28/52/873102852.db2.gz YEOKXOWKCZFLDK-UHFFFAOYSA-N -1 3 378.169 3.730 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)[n-]1 ZINC001196424388 873106168 /nfs/dbraw/zinc/10/61/68/873106168.db2.gz QIINWOHCMUWTEI-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)c[n-]1 ZINC001196424388 873106178 /nfs/dbraw/zinc/10/61/78/873106178.db2.gz QIINWOHCMUWTEI-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1 ZINC001196489577 873114704 /nfs/dbraw/zinc/11/47/04/873114704.db2.gz AEGRVCXLXWMVFB-UHFFFAOYSA-N -1 3 390.461 3.769 20 0 GHADHM COc1ccc(C(=O)[N-]C(=O)CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000921208298 882688576 /nfs/dbraw/zinc/68/85/76/882688576.db2.gz OPDYUFKKACYCIM-SNVBAGLBSA-N -1 3 399.249 3.748 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(Cl)ncc1F ZINC001196521385 873159190 /nfs/dbraw/zinc/15/91/90/873159190.db2.gz VKTMEDCNZNBRFH-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000448368596 873304406 /nfs/dbraw/zinc/30/44/06/873304406.db2.gz WTDVECRSSNCSDY-GOSISDBHSA-N -1 3 393.516 3.586 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000464201367 873387291 /nfs/dbraw/zinc/38/72/91/873387291.db2.gz ZQBHMRYIDDGHNC-UHFFFAOYSA-N -1 3 392.691 3.949 20 0 GHADHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000775747525 873418473 /nfs/dbraw/zinc/41/84/73/873418473.db2.gz XPERTHZRSZDART-STQMWFEESA-N -1 3 387.288 3.622 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000464200264 873425673 /nfs/dbraw/zinc/42/56/73/873425673.db2.gz OFOCCKMGXRSOEL-UHFFFAOYSA-N -1 3 378.664 3.808 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ncnc(Cl)c3c2)c(C)c1 ZINC001196885024 873427229 /nfs/dbraw/zinc/42/72/29/873427229.db2.gz GJAGVDPYJFHFRW-UHFFFAOYSA-N -1 3 377.853 3.709 20 0 GHADHM COc1c(Br)ccc(F)c1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001197080443 873584479 /nfs/dbraw/zinc/58/44/79/873584479.db2.gz AARYLHMDUSQMHA-UHFFFAOYSA-N -1 3 382.185 3.757 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC001197135198 873592970 /nfs/dbraw/zinc/59/29/70/873592970.db2.gz RKBGJOIOYZAYPQ-LJQANCHMSA-N -1 3 398.466 3.657 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000448574899 873624814 /nfs/dbraw/zinc/62/48/14/873624814.db2.gz XBIACBNAIFEEGQ-UHFFFAOYSA-N -1 3 380.423 3.697 20 0 GHADHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134122687 882746301 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COc1ccc(-c2ccccn2)nc1[N-]C(=O)c1c(C)noc1C(F)(F)F ZINC001197585365 873925981 /nfs/dbraw/zinc/92/59/81/873925981.db2.gz GZPXITHFAUAFIP-UHFFFAOYSA-N -1 3 378.310 3.720 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](OC)c3cccc(OC)c3)nc2)n1 ZINC000528069990 873934057 /nfs/dbraw/zinc/93/40/57/873934057.db2.gz NTNAMURFEVQPGD-GOSISDBHSA-N -1 3 380.448 3.615 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000448788595 873934577 /nfs/dbraw/zinc/93/45/77/873934577.db2.gz XYDQSKHNKMBDTF-UHFFFAOYSA-N -1 3 377.843 3.592 20 0 GHADHM O=C(Nc1cccnc1-n1cccn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197699957 873988094 /nfs/dbraw/zinc/98/80/94/873988094.db2.gz IHFAEVMXRKRDKW-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccn1 ZINC001197706651 873992521 /nfs/dbraw/zinc/99/25/21/873992521.db2.gz LIFCYPLRLVSWJV-UHFFFAOYSA-N -1 3 377.400 3.577 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-][C@@H]1COc2ccc(F)cc21 ZINC001197765468 874003511 /nfs/dbraw/zinc/00/35/11/874003511.db2.gz IFLNRJONTYATAS-CYBMUJFWSA-N -1 3 376.236 3.686 20 0 GHADHM Cc1ccccc1C1([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)COC1 ZINC001197773083 874038000 /nfs/dbraw/zinc/03/80/00/874038000.db2.gz NHZILXGKVPGVPI-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1C ZINC000004289639 874193492 /nfs/dbraw/zinc/19/34/92/874193492.db2.gz PERPCQGBUZHVTP-NSHDSACASA-N -1 3 387.461 3.667 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3OC3CCC3)no2)cc1 ZINC000528258805 874275656 /nfs/dbraw/zinc/27/56/56/874275656.db2.gz WENWPCYXCYCQPY-UHFFFAOYSA-N -1 3 385.445 3.706 20 0 GHADHM CN(C)CCN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CCCC1 ZINC000541797662 874290694 /nfs/dbraw/zinc/29/06/94/874290694.db2.gz XHLRTXMJJNOWDB-UHFFFAOYSA-N -1 3 393.944 3.619 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3[C@@H](C)CC[C@@H]3C)c2)c1 ZINC000769981902 874386196 /nfs/dbraw/zinc/38/61/96/874386196.db2.gz AKBLYOWWUPWNSR-KBPBESRZSA-N -1 3 398.459 3.675 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858079990 882823185 /nfs/dbraw/zinc/82/31/85/882823185.db2.gz BDVZCDIFJFVIJV-GOSISDBHSA-N -1 3 384.451 3.806 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000541868293 874424653 /nfs/dbraw/zinc/42/46/53/874424653.db2.gz DIAAQYPQCDEGLD-MRXNPFEDSA-N -1 3 380.441 3.630 20 0 GHADHM C=CS(=O)(=O)[N-]c1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC ZINC001198610261 874519492 /nfs/dbraw/zinc/51/94/92/874519492.db2.gz JAMKJTZBUAEPPV-UHFFFAOYSA-N -1 3 390.461 3.622 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCC12CC2 ZINC000528436222 874573776 /nfs/dbraw/zinc/57/37/76/874573776.db2.gz HSIRPKCWWKFKNR-NSHDSACASA-N -1 3 376.400 3.596 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(Cl)c1)c1ccc2occc2c1 ZINC001198860792 874671527 /nfs/dbraw/zinc/67/15/27/874671527.db2.gz CQTRIAWCJJNOOT-UHFFFAOYSA-N -1 3 392.864 3.724 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1sc2cc(F)ccc2c1Cl ZINC000775908952 874675445 /nfs/dbraw/zinc/67/54/45/874675445.db2.gz YQCQAEJFXYMCBR-UHFFFAOYSA-N -1 3 378.738 3.761 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1SCc1ccco1 ZINC000775908152 874675467 /nfs/dbraw/zinc/67/54/67/874675467.db2.gz UKJQEHNCSXTIPD-UHFFFAOYSA-N -1 3 382.367 3.639 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2ocnc2C)c(C(=O)OC(C)(C)C)c1C ZINC000476697771 882861592 /nfs/dbraw/zinc/86/15/92/882861592.db2.gz XQCFFJNSUKIYMC-UHFFFAOYSA-N -1 3 394.449 3.737 20 0 GHADHM CC(C)[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N1CCc2sccc2C1 ZINC000775929402 874781728 /nfs/dbraw/zinc/78/17/28/874781728.db2.gz JYEGDDQJGHMXAY-KRWDZBQOSA-N -1 3 393.892 3.873 20 0 GHADHM CCOC(=O)c1ccc(NC(=S)NCc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC001199063885 874783901 /nfs/dbraw/zinc/78/39/01/874783901.db2.gz VAKJUYKOMZTPKK-UHFFFAOYSA-N -1 3 394.880 3.718 20 0 GHADHM CSc1cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])ccc1NC(C)=O ZINC000775932906 874794331 /nfs/dbraw/zinc/79/43/31/874794331.db2.gz LOEFOWXARQEUAH-UHFFFAOYSA-N -1 3 393.848 3.766 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([O-])cc(Br)c2)cs1 ZINC000528681321 874879256 /nfs/dbraw/zinc/87/92/56/874879256.db2.gz PGYDAILNFDFFPW-SNVBAGLBSA-N -1 3 399.310 3.981 20 0 GHADHM CCOC(=O)c1c2c(sc1NC(=S)Nc1cncc([O-])c1)CCCC2 ZINC001199279432 874908313 /nfs/dbraw/zinc/90/83/13/874908313.db2.gz XQWCYOCHFUZKQO-UHFFFAOYSA-N -1 3 377.491 3.713 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3cnc(C(C)(C)C)s3)nc21 ZINC000746505988 874964213 /nfs/dbraw/zinc/96/42/13/874964213.db2.gz GQQPRPHIXFPECF-HJWRWDBZSA-N -1 3 384.461 3.755 20 0 GHADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cccc(Br)c1F ZINC000542316233 875356959 /nfs/dbraw/zinc/35/69/59/875356959.db2.gz RNZZZPAOSDTVBM-NSHDSACASA-N -1 3 388.283 3.714 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)c(=O)[n-]1 ZINC000465272795 875391474 /nfs/dbraw/zinc/39/14/74/875391474.db2.gz NZZVHAYZVAKIAE-SFHVURJKSA-N -1 3 385.508 3.568 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)c(=O)[n-]1 ZINC000465263778 875401064 /nfs/dbraw/zinc/40/10/64/875401064.db2.gz SGWMRLJDHMBDQR-LJQANCHMSA-N -1 3 399.535 3.958 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Cl)c3cnccc23)cc1 ZINC001201223922 875586718 /nfs/dbraw/zinc/58/67/18/875586718.db2.gz ZFCCKSBQQHFUDO-UHFFFAOYSA-N -1 3 390.848 3.617 20 0 GHADHM COc1cccc(-c2nc(C)c(C(=O)OCCc3cc(C(C)=O)ccc3[O-])[nH]2)c1 ZINC000772108367 875698416 /nfs/dbraw/zinc/69/84/16/875698416.db2.gz XLIBCTIVZCKKCU-UHFFFAOYSA-N -1 3 394.427 3.701 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cs1 ZINC000509463027 875863293 /nfs/dbraw/zinc/86/32/93/875863293.db2.gz JYFBHETXAQSBDR-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2c(F)cccc2OC2COC2)c(C)c1C ZINC001201799664 875867078 /nfs/dbraw/zinc/86/70/78/875867078.db2.gz VHFPVKIPTVDICP-UHFFFAOYSA-N -1 3 393.480 3.946 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)cc1 ZINC000192627747 882971708 /nfs/dbraw/zinc/97/17/08/882971708.db2.gz VLQGBFRXAMAHFD-UHFFFAOYSA-N -1 3 397.456 3.914 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ncccc12)c1cccc(F)c1Br ZINC001201791484 875886714 /nfs/dbraw/zinc/88/67/14/875886714.db2.gz OOQVRVOXUYSEGA-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=S(=O)([N-]CCCc1cccs1)c1ncccc1OCc1ccccc1 ZINC001201898619 875913879 /nfs/dbraw/zinc/91/38/79/875913879.db2.gz WKSYIRDBIOHXHX-UHFFFAOYSA-N -1 3 388.514 3.633 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccnn2CC2CCC2)s1 ZINC000913725663 875931737 /nfs/dbraw/zinc/93/17/37/875931737.db2.gz YIMJBAQGRWNQBR-UHFFFAOYSA-N -1 3 377.470 3.739 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2sccc21)c1ncccc1OCc1ccccc1 ZINC001201903503 875932636 /nfs/dbraw/zinc/93/26/36/875932636.db2.gz HCQABNOJFANHRJ-INIZCTEOSA-N -1 3 386.498 3.688 20 0 GHADHM Cc1cc(Br)c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1Cl ZINC000491891898 876009378 /nfs/dbraw/zinc/00/93/78/876009378.db2.gz PYQUQXLKTWOBTK-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc(F)c(Br)c(Cl)c1 ZINC000491899739 876017202 /nfs/dbraw/zinc/01/72/02/876017202.db2.gz AISYGKKJJHVBCY-UHFFFAOYSA-N -1 3 395.619 3.701 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3cc(F)cc(C(F)(F)F)c3)c(=O)c2c1C ZINC000151906587 876087968 /nfs/dbraw/zinc/08/79/68/876087968.db2.gz GUVYVXLPRXYFCK-UHFFFAOYSA-N -1 3 385.342 3.617 20 0 GHADHM COc1ccc(Cn2ncc(C)c2NC(=O)c2cc(C)ccc2[O-])cc1OC ZINC000123060068 883003377 /nfs/dbraw/zinc/00/33/77/883003377.db2.gz UTTLZZBLRYVOME-UHFFFAOYSA-N -1 3 381.432 3.523 20 0 GHADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(Br)cc1[O-] ZINC000123079908 883016627 /nfs/dbraw/zinc/01/66/27/883016627.db2.gz MAWNRDKTXUUCRB-UHFFFAOYSA-N -1 3 380.242 3.767 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129611386 883020350 /nfs/dbraw/zinc/02/03/50/883020350.db2.gz YKKNIGXPRGYABD-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129611386 883020369 /nfs/dbraw/zinc/02/03/69/883020369.db2.gz YKKNIGXPRGYABD-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc2occc2[n-]1 ZINC000786032900 876419604 /nfs/dbraw/zinc/41/96/04/876419604.db2.gz LIEDDOOCQXZPGW-CQSZACIVSA-N -1 3 378.306 3.742 20 0 GHADHM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786140568 876469600 /nfs/dbraw/zinc/46/96/00/876469600.db2.gz DIHMZPVCALMGNN-LLVKDONJSA-N -1 3 383.425 3.994 20 0 GHADHM O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2sccc2c([O-])c1 ZINC000786131917 876498430 /nfs/dbraw/zinc/49/84/30/876498430.db2.gz SQRCLZOCFHKBET-UHFFFAOYSA-N -1 3 398.408 3.960 20 0 GHADHM COc1ccccc1N1CC[C@H](OC(=O)c2cc3sccc3c([O-])c2)C1=O ZINC000786131920 876498721 /nfs/dbraw/zinc/49/87/21/876498721.db2.gz SQVXUUYKGXXGPA-KRWDZBQOSA-N -1 3 383.425 3.578 20 0 GHADHM COc1ccc(C)cc1CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000007121904 876537383 /nfs/dbraw/zinc/53/73/83/876537383.db2.gz FRXOEMTYUCUAHM-GFCCVEGCSA-N -1 3 386.473 3.765 20 0 GHADHM COc1cc(Br)ccc1CCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450568207 876629938 /nfs/dbraw/zinc/62/99/38/876629938.db2.gz VFFMCRGIHPBEOF-UHFFFAOYSA-N -1 3 396.256 3.594 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccc(Br)cc1Cl ZINC000390505666 876786238 /nfs/dbraw/zinc/78/62/38/876786238.db2.gz PSQPAWRPOIUFMF-UHFFFAOYSA-N -1 3 388.661 3.959 20 0 GHADHM O=C(CCc1nc(-c2ccoc2)no1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152125970 876960500 /nfs/dbraw/zinc/96/05/00/876960500.db2.gz LYPWKTKPVJCSKZ-UHFFFAOYSA-N -1 3 381.310 3.529 20 0 GHADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000174468740 877041096 /nfs/dbraw/zinc/04/10/96/877041096.db2.gz DHCCCKLUZHGRFT-UHFFFAOYSA-N -1 3 386.407 3.710 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000786936323 877065661 /nfs/dbraw/zinc/06/56/61/877065661.db2.gz VMLQBTMPQTZQIZ-IBGZPJMESA-N -1 3 385.435 3.588 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1 ZINC000450987288 877153968 /nfs/dbraw/zinc/15/39/68/877153968.db2.gz VHIONJNNWKMUDL-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000551435051 877183149 /nfs/dbraw/zinc/18/31/49/877183149.db2.gz RFGZLDNUESZURB-HNNXBMFYSA-N -1 3 381.350 3.782 20 0 GHADHM CC(C)(C)n1cnnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171394302 877251956 /nfs/dbraw/zinc/25/19/56/877251956.db2.gz UIKCWMSHEVLBIK-UHFFFAOYSA-N -1 3 387.490 3.883 20 0 GHADHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000055547798 877293362 /nfs/dbraw/zinc/29/33/62/877293362.db2.gz GPHBTLLXAHJFOL-UHFFFAOYSA-N -1 3 394.301 3.588 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2sccc2NC(=O)c2ccncc2)s1 ZINC000064309430 883116267 /nfs/dbraw/zinc/11/62/67/883116267.db2.gz CLHCVMYNEDRRLL-UHFFFAOYSA-N -1 3 387.490 3.797 20 0 GHADHM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000787266225 877304393 /nfs/dbraw/zinc/30/43/93/877304393.db2.gz ZIDRWMKSBUBQME-RYQLBKOJSA-N -1 3 388.508 3.720 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1C(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001183016848 912226209 /nfs/dbraw/zinc/22/62/09/912226209.db2.gz MOTOLMAFBPTRED-QGZVFWFLSA-N -1 3 394.431 3.699 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000776517091 877416197 /nfs/dbraw/zinc/41/61/97/877416197.db2.gz YNCYVQPRKAWQLV-XJKSGUPXSA-N -1 3 395.475 3.509 20 0 GHADHM O=c1[n-]nc(SCc2cc3ccccc3c(Cl)n2)n1C[C@@H]1CCCO1 ZINC000787489160 877449140 /nfs/dbraw/zinc/44/91/40/877449140.db2.gz JQPPCVOOHRVSTC-ZDUSSCGKSA-N -1 3 376.869 3.657 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@@H]2CCCc3cc(OC(F)F)ccc32)c2ccccc21 ZINC000746690860 877478066 /nfs/dbraw/zinc/47/80/66/877478066.db2.gz UBDVTSAHYTZETE-UWKDKTGGSA-N -1 3 384.382 3.566 20 0 GHADHM CCc1cc(=O)[n-]c(CSCCC(=O)Nc2cccc(Br)c2)n1 ZINC000477348777 877498731 /nfs/dbraw/zinc/49/87/31/877498731.db2.gz JCCHBFAGIUOPKJ-UHFFFAOYSA-N -1 3 396.310 3.769 20 0 GHADHM O=C(OC[C@H]1CCC1(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000851311881 877589763 /nfs/dbraw/zinc/58/97/63/877589763.db2.gz MBVGQNGMHLQGRZ-CYBMUJFWSA-N -1 3 399.390 3.829 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000615345927 877642833 /nfs/dbraw/zinc/64/28/33/877642833.db2.gz DLQZRFHUEATKDF-UHFFFAOYSA-N -1 3 377.448 3.784 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000615345927 877642838 /nfs/dbraw/zinc/64/28/38/877642838.db2.gz DLQZRFHUEATKDF-UHFFFAOYSA-N -1 3 377.448 3.784 20 0 GHADHM C[C@H](NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000787843552 877660759 /nfs/dbraw/zinc/66/07/59/877660759.db2.gz KDEZVZPYENCZER-ZDUSSCGKSA-N -1 3 393.842 3.928 20 0 GHADHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)NC1(c2ccccc2)CCC1 ZINC000787847406 877665624 /nfs/dbraw/zinc/66/56/24/877665624.db2.gz FHPRDADSJBCRIX-UHFFFAOYSA-N -1 3 385.435 3.593 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000787846971 877668354 /nfs/dbraw/zinc/66/83/54/877668354.db2.gz XXDDCRGBTVVBLF-HXUWFJFHSA-N -1 3 385.435 3.588 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1c(F)cccc1F ZINC000787847870 877669633 /nfs/dbraw/zinc/66/96/33/877669633.db2.gz IKWPYZQWWDLXSO-NSHDSACASA-N -1 3 381.350 3.703 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)s1 ZINC000285375031 912265783 /nfs/dbraw/zinc/26/57/83/912265783.db2.gz MSMPXZLGEYRMEI-SSDOTTSWSA-N -1 3 397.266 3.532 20 0 GHADHM O=C(CCc1ccc2[nH]ccc2c1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000179566146 877726847 /nfs/dbraw/zinc/72/68/47/877726847.db2.gz DJOMLTIDOOAMKY-UHFFFAOYSA-N -1 3 376.243 3.869 20 0 GHADHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)[N-]OC[C@H]1CCOC1 ZINC000788117193 877836747 /nfs/dbraw/zinc/83/67/47/877836747.db2.gz GHOKSZXBEZKFHV-INIZCTEOSA-N -1 3 375.852 3.546 20 0 GHADHM C[C@@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@@H]1OCCc2sccc21 ZINC000551823739 877862142 /nfs/dbraw/zinc/86/21/42/877862142.db2.gz UQMWABRTSTZFFA-MGNBDDOMSA-N -1 3 389.427 3.727 20 0 GHADHM Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788279094 877990943 /nfs/dbraw/zinc/99/09/43/877990943.db2.gz CYNUMSASGZGIIY-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM COC(=O)C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccncc1 ZINC000615835013 878153248 /nfs/dbraw/zinc/15/32/48/878153248.db2.gz AHMWIGBMHWXBQX-LJQANCHMSA-N -1 3 392.411 3.614 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)c2cccs2)c(C)c1Cl ZINC000788628060 878221335 /nfs/dbraw/zinc/22/13/35/878221335.db2.gz WHWNFIYMFOVJRB-UHFFFAOYSA-N -1 3 393.939 3.772 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000451728838 878363498 /nfs/dbraw/zinc/36/34/98/878363498.db2.gz HXDGRWNXOLKFNM-LLVKDONJSA-N -1 3 399.843 3.822 20 0 GHADHM COC(=O)c1ccc(CCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000530777116 878475451 /nfs/dbraw/zinc/47/54/51/878475451.db2.gz OLBHFXJNLSNEEM-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(F)c1F ZINC000461096995 879164904 /nfs/dbraw/zinc/16/49/04/879164904.db2.gz WIQLZXXUAFMFDQ-UHFFFAOYSA-N -1 3 399.390 3.741 20 0 GHADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000452232963 879170755 /nfs/dbraw/zinc/17/07/55/879170755.db2.gz RPYYSAYDUHTBSP-AEJSXWLSSA-N -1 3 388.336 3.998 20 0 GHADHM COc1cc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)cc(OC)c1[O-] ZINC000452261324 879224032 /nfs/dbraw/zinc/22/40/32/879224032.db2.gz SFWYNYIGPZNCCW-UHFFFAOYSA-N -1 3 397.349 3.727 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)ccc2n1C ZINC000531199155 879311425 /nfs/dbraw/zinc/31/14/25/879311425.db2.gz PFUUQCISCZQRCR-UHFFFAOYSA-N -1 3 399.394 3.624 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)c(C)c1F ZINC000461206151 879346181 /nfs/dbraw/zinc/34/61/81/879346181.db2.gz CRNGEFWORBQFIP-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM Cc1ncsc1CN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1[S-])C2 ZINC001272014113 879412357 /nfs/dbraw/zinc/41/23/57/879412357.db2.gz VURZGWNVFWKIFX-FQEVSTJZSA-N -1 3 387.574 3.869 20 0 GHADHM Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3nn[n-]c32)c2ccccc2)cc1 ZINC000790074024 879416820 /nfs/dbraw/zinc/41/68/20/879416820.db2.gz DDCFUYYWQIWLMC-HXUWFJFHSA-N -1 3 386.411 3.803 20 0 GHADHM Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3[n-]nnc32)c2ccccc2)cc1 ZINC000790074024 879416828 /nfs/dbraw/zinc/41/68/28/879416828.db2.gz DDCFUYYWQIWLMC-HXUWFJFHSA-N -1 3 386.411 3.803 20 0 GHADHM Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc3n[n-]nc32)c2ccccc2)cc1 ZINC000790074024 879416837 /nfs/dbraw/zinc/41/68/37/879416837.db2.gz DDCFUYYWQIWLMC-HXUWFJFHSA-N -1 3 386.411 3.803 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(C4CCCCC4)n3)nc21 ZINC000538460956 879501078 /nfs/dbraw/zinc/50/10/78/879501078.db2.gz CDDLVEJCEHXGRA-UHFFFAOYSA-N -1 3 381.436 3.612 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000285837631 912464749 /nfs/dbraw/zinc/46/47/49/912464749.db2.gz JQGAXWOQNMUXSS-GOSISDBHSA-N -1 3 375.900 3.941 20 0 GHADHM O=C(N[C@]12C[C@H]1CCC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000617214014 879512882 /nfs/dbraw/zinc/51/28/82/879512882.db2.gz OSDGDZJKKRWYCP-VPTHRUTESA-N -1 3 381.657 3.616 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sc(C(C)C)nc2C)cc1OC ZINC000617219603 879534870 /nfs/dbraw/zinc/53/48/70/879534870.db2.gz CQLNJZWHJZCSOL-UHFFFAOYSA-N -1 3 397.522 3.597 20 0 GHADHM CC[C@@H](C)c1ncc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461345317 879612062 /nfs/dbraw/zinc/61/20/62/879612062.db2.gz QLEAVTYNFWVLLG-GFCCVEGCSA-N -1 3 398.326 3.737 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cccc(F)c1F ZINC000461334113 879629388 /nfs/dbraw/zinc/62/93/88/879629388.db2.gz SLVATBVLAYBDHP-UHFFFAOYSA-N -1 3 376.222 3.712 20 0 GHADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493961926 879777614 /nfs/dbraw/zinc/77/76/14/879777614.db2.gz ROXDGIYTXDMKCV-GHMZBOCLSA-N -1 3 396.734 3.586 20 0 GHADHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493962020 879778395 /nfs/dbraw/zinc/77/83/95/879778395.db2.gz SHOGEUAGYXHRCC-SECBINFHSA-N -1 3 384.723 3.584 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 ZINC000617459962 879823135 /nfs/dbraw/zinc/82/31/35/879823135.db2.gz RUPAOYNJSQPZKF-SFHVURJKSA-N -1 3 382.460 3.561 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(OC(C)C)ccc1F ZINC001212315264 880003224 /nfs/dbraw/zinc/00/32/24/880003224.db2.gz BYMCJBRSQVTXRE-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1F ZINC000112628042 880052088 /nfs/dbraw/zinc/05/20/88/880052088.db2.gz GRSSGCDZRCZTDF-OAHLLOKOSA-N -1 3 380.419 3.905 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)NCc1ccccc1Cl ZINC000112676183 880069223 /nfs/dbraw/zinc/06/92/23/880069223.db2.gz PZTMEBRMFILUHY-OAHLLOKOSA-N -1 3 396.874 3.788 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)Cc3ccccc3)cs2)c1 ZINC000183289045 880085149 /nfs/dbraw/zinc/08/51/49/880085149.db2.gz IDFUYXRTGQTXQG-UHFFFAOYSA-N -1 3 395.484 3.611 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000854906308 880139481 /nfs/dbraw/zinc/13/94/81/880139481.db2.gz AUBGVLTXSGYFFT-IBGZPJMESA-N -1 3 393.455 3.978 20 0 GHADHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000536502775 880184954 /nfs/dbraw/zinc/18/49/54/880184954.db2.gz PMBDPCRKJPWCIS-NSHDSACASA-N -1 3 389.926 3.576 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)c1 ZINC000791131363 880234963 /nfs/dbraw/zinc/23/49/63/880234963.db2.gz JMACTJKIPWRQTR-JOCHJYFZSA-N -1 3 393.487 3.547 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1C ZINC000531642302 880242860 /nfs/dbraw/zinc/24/28/60/880242860.db2.gz GYCPEWBZSLAGEH-UHFFFAOYSA-N -1 3 386.477 3.672 20 0 GHADHM CC(C)CCc1nnc([N-]C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)s1 ZINC000855190515 880337135 /nfs/dbraw/zinc/33/71/35/880337135.db2.gz YEMAANGMIUGIOQ-UHFFFAOYSA-N -1 3 392.485 3.516 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000185087416 880471080 /nfs/dbraw/zinc/47/10/80/880471080.db2.gz OEBBBMSICJFVMU-UHFFFAOYSA-N -1 3 388.342 3.546 20 0 GHADHM Fc1cc(NCc2ccc(-c3ccnc(F)c3)c(F)c2)cc(-c2nnn[n-]2)c1 ZINC001168142473 880505684 /nfs/dbraw/zinc/50/56/84/880505684.db2.gz LIDRAYWPYKZPAF-UHFFFAOYSA-N -1 3 382.349 3.958 20 0 GHADHM Fc1cc(NCc2ccc(-c3ccnc(F)c3)c(F)c2)cc(-c2nn[n-]n2)c1 ZINC001168142473 880505696 /nfs/dbraw/zinc/50/56/96/880505696.db2.gz LIDRAYWPYKZPAF-UHFFFAOYSA-N -1 3 382.349 3.958 20 0 GHADHM CC(C)Cc1nsc([N-]C(=O)c2cc(Br)cnc2Cl)n1 ZINC000855706638 880689255 /nfs/dbraw/zinc/68/92/55/880689255.db2.gz PBIHARUYXBBGEM-UHFFFAOYSA-N -1 3 375.679 3.800 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2cccc(F)c2)no1 ZINC000532019583 880936268 /nfs/dbraw/zinc/93/62/68/880936268.db2.gz UXUKPJRLHHAODO-UHFFFAOYSA-N -1 3 391.196 3.879 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1(C)C ZINC000643325578 912630311 /nfs/dbraw/zinc/63/03/11/912630311.db2.gz UVMJVKCUFULCMS-GXSJLCMTSA-N -1 3 394.235 3.807 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCC3(C)CC3)c2)c1 ZINC000792493904 881117930 /nfs/dbraw/zinc/11/79/30/881117930.db2.gz KKTQBIJMYLLJMS-UHFFFAOYSA-N -1 3 398.459 3.582 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3csc(C(C)C)n3)[n-]c(=O)c12 ZINC000057812763 881149723 /nfs/dbraw/zinc/14/97/23/881149723.db2.gz BJTRJWRRPYHWIX-UHFFFAOYSA-N -1 3 390.490 3.698 20 0 GHADHM Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000556951547 881163925 /nfs/dbraw/zinc/16/39/25/881163925.db2.gz QOWMDYGGRNAUCA-UHFFFAOYSA-N -1 3 395.850 3.825 20 0 GHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000919949315 881196894 /nfs/dbraw/zinc/19/68/94/881196894.db2.gz QWODDWIMEINOSG-DTWKUNHWSA-N -1 3 384.723 3.824 20 0 GHADHM CC[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cc(C)ccc1OC ZINC000772803145 881272403 /nfs/dbraw/zinc/27/24/03/881272403.db2.gz GAVGHBSMYMEDPZ-KRWDZBQOSA-N -1 3 395.452 3.822 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000792611691 881336338 /nfs/dbraw/zinc/33/63/38/881336338.db2.gz HWSHHZXQWCYDLF-UHFFFAOYSA-N -1 3 393.468 3.520 20 0 GHADHM O=C([O-])[C@]1(NCc2cc(Cl)c3c(c2)OCCCO3)CCc2c1cccc2F ZINC000551058013 883203537 /nfs/dbraw/zinc/20/35/37/883203537.db2.gz UGTONEHXXAGKSP-FQEVSTJZSA-N -1 3 391.826 3.656 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3cnn(-c4cccc(Cl)c4)c3)no1)OCO2 ZINC000445646881 883282658 /nfs/dbraw/zinc/28/26/58/883282658.db2.gz GXZLMOJTBPNSOK-UHFFFAOYSA-N -1 3 382.763 3.677 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C)n(C3CCCCC3)n1)c2=O ZINC001183648453 912691726 /nfs/dbraw/zinc/69/17/26/912691726.db2.gz XGTVSEYDXOWMFJ-UHFFFAOYSA-N -1 3 380.448 3.799 20 0 GHADHM O=C(O[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc2ccsc2[n-]1 ZINC000777049971 883314155 /nfs/dbraw/zinc/31/41/55/883314155.db2.gz ZHSJVAHPPVEISZ-CQSZACIVSA-N -1 3 378.812 3.984 20 0 GHADHM CC(C)c1ccc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000747219732 883419633 /nfs/dbraw/zinc/41/96/33/883419633.db2.gz FSKASOMKIQHJPU-QGZVFWFLSA-N -1 3 383.366 3.878 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000185271955 883431141 /nfs/dbraw/zinc/43/11/41/883431141.db2.gz JBDZFESSTAKCHM-LSDHHAIUSA-N -1 3 399.372 3.905 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(OCC(F)F)c1 ZINC000427488633 883470288 /nfs/dbraw/zinc/47/02/88/883470288.db2.gz XITVKTFGZXWJFZ-UHFFFAOYSA-N -1 3 386.354 3.541 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1ccncc1 ZINC000064460588 883487376 /nfs/dbraw/zinc/48/73/76/883487376.db2.gz CPFHVTGCMLJZKS-QFIPXVFZSA-N -1 3 387.439 3.524 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCOCC2)c(F)c1F ZINC000858988050 883522358 /nfs/dbraw/zinc/52/23/58/883522358.db2.gz XKFOSGDUPQPYNS-IBGZPJMESA-N -1 3 381.444 3.719 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cccnc1Br ZINC001130057802 883576058 /nfs/dbraw/zinc/57/60/58/883576058.db2.gz BYHPYDGDXZQLBC-UHFFFAOYSA-N -1 3 393.241 3.678 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286394739 912726598 /nfs/dbraw/zinc/72/65/98/912726598.db2.gz LEMUOQXCAZKYHU-TYILLQQXSA-N -1 3 399.491 3.704 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(=O)c3ccccc3)cc2)cc1 ZINC000194001385 883624320 /nfs/dbraw/zinc/62/43/20/883624320.db2.gz TXHQJKRQNRFISW-UHFFFAOYSA-N -1 3 394.452 3.617 20 0 GHADHM COc1cc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000136204398 883739120 /nfs/dbraw/zinc/73/91/20/883739120.db2.gz YJCBPFWDTFAJDW-LLVKDONJSA-N -1 3 394.265 3.533 20 0 GHADHM CC(C)[C@H]1CCCN1c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1F ZINC000760422856 884072637 /nfs/dbraw/zinc/07/26/37/884072637.db2.gz HXWOXAJOJKHKFC-LJQANCHMSA-N -1 3 399.466 3.525 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024884003 884084475 /nfs/dbraw/zinc/08/44/75/884084475.db2.gz RWIQKLDUZHECRJ-UHFFFAOYSA-N -1 3 388.489 3.612 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024885319 884084591 /nfs/dbraw/zinc/08/45/91/884084591.db2.gz YIVCLNRINKJQQB-LLVKDONJSA-N -1 3 384.910 3.831 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cc([O-])ccc1Cl ZINC000556210367 884127045 /nfs/dbraw/zinc/12/70/45/884127045.db2.gz QTKQJTVYQRQRKA-SANMLTNESA-N -1 3 393.892 3.726 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(CC(C)C)CC2)cc1OC ZINC000760480308 884131164 /nfs/dbraw/zinc/13/11/64/884131164.db2.gz KKUJKLVMLFMWLB-UHFFFAOYSA-N -1 3 397.541 3.747 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1OC1CCCC1 ZINC000914564724 884185867 /nfs/dbraw/zinc/18/58/67/884185867.db2.gz WOHQMOVXJWJQPO-UHFFFAOYSA-N -1 3 389.473 3.752 20 0 GHADHM CC(C)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCC1 ZINC000914608539 884323259 /nfs/dbraw/zinc/32/32/59/884323259.db2.gz GCIMKAFFRDSJAD-UHFFFAOYSA-N -1 3 398.544 3.943 20 0 GHADHM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000102760659 884418462 /nfs/dbraw/zinc/41/84/62/884418462.db2.gz KTMAMUCQARUBSU-UHFFFAOYSA-N -1 3 395.434 3.594 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(Cc2ccccc2)no1 ZINC000476347006 884421635 /nfs/dbraw/zinc/42/16/35/884421635.db2.gz IJNZZPOLPJLRSF-OAHLLOKOSA-N -1 3 377.510 3.611 20 0 GHADHM O=C([O-])[C@]1(NCc2ccc(F)c(Br)c2)CCc2c1cccc2F ZINC000556321711 884448335 /nfs/dbraw/zinc/44/83/35/884448335.db2.gz ODDHNXHKFBQJBC-KRWDZBQOSA-N -1 3 382.204 3.743 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2cc3ccccc3o2)ccc1F ZINC000914718551 884597671 /nfs/dbraw/zinc/59/76/71/884597671.db2.gz QUHUQIISNBGQAY-UHFFFAOYSA-N -1 3 391.420 3.616 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Oc1ccc(C)nn1 ZINC000498508209 884668994 /nfs/dbraw/zinc/66/89/94/884668994.db2.gz SMNRHHFQOSJITG-UHFFFAOYSA-N -1 3 389.408 3.526 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccccc1OC(F)F ZINC000130499513 884697312 /nfs/dbraw/zinc/69/73/12/884697312.db2.gz BTEDHZLEYAJDLS-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1Cl ZINC000666308270 884705613 /nfs/dbraw/zinc/70/56/13/884705613.db2.gz BZMUEVFEUYESJX-UHFFFAOYSA-N -1 3 388.851 3.983 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)C[C@@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC001183861493 912856186 /nfs/dbraw/zinc/85/61/86/912856186.db2.gz GMDFZRYQRABNDB-LBPRGKRZSA-N -1 3 394.353 3.742 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)C[C@@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC001183861493 912856199 /nfs/dbraw/zinc/85/61/99/912856199.db2.gz GMDFZRYQRABNDB-LBPRGKRZSA-N -1 3 394.353 3.742 20 0 GHADHM C[C@@H](Oc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)C(F)(F)F ZINC000806554521 884804200 /nfs/dbraw/zinc/80/42/00/884804200.db2.gz VOGMHZZSNDSDJN-ZTMOJVSCSA-N -1 3 376.334 3.739 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(c3ccccc3C)C(C)C)nc(=O)c2c1C ZINC000105614796 884822971 /nfs/dbraw/zinc/82/29/71/884822971.db2.gz PNSMYTUGRKEXGD-UHFFFAOYSA-N -1 3 385.489 3.803 20 0 GHADHM COC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCCC1 ZINC000029455513 884829485 /nfs/dbraw/zinc/82/94/85/884829485.db2.gz ZEISHGDPICMFPX-UHFFFAOYSA-N -1 3 380.293 3.538 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3scc(-c4ccccc4)c3c(=O)n2C)n1 ZINC000761862024 884895338 /nfs/dbraw/zinc/89/53/38/884895338.db2.gz PIPOGPZAWCZMDB-UHFFFAOYSA-N -1 3 396.497 3.758 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(/C=C\C(=O)OCC)cc2)cc1 ZINC000914846007 884949183 /nfs/dbraw/zinc/94/91/83/884949183.db2.gz LKZJGDBZDGOXJB-AUWJEWJLSA-N -1 3 389.473 3.853 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000914846026 884949226 /nfs/dbraw/zinc/94/92/26/884949226.db2.gz NWPXDDMKTWOUCH-UHFFFAOYSA-N -1 3 388.533 3.913 20 0 GHADHM CCOCCOCc1cccc(CNC(=O)c2cc(SC)ccc2[O-])c1 ZINC000666403423 884959005 /nfs/dbraw/zinc/95/90/05/884959005.db2.gz FBFHGZCTBVBZTR-UHFFFAOYSA-N -1 3 375.490 3.597 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806966334 885121643 /nfs/dbraw/zinc/12/16/43/885121643.db2.gz BTCPNXVNRBECIZ-NSHDSACASA-N -1 3 399.825 3.898 20 0 GHADHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000795849400 912908084 /nfs/dbraw/zinc/90/80/84/912908084.db2.gz XRWDCKCVORVQPY-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)c3cc(NC(C)=O)ccc3[O-])c(C)c2c1 ZINC000106919512 885205944 /nfs/dbraw/zinc/20/59/44/885205944.db2.gz KKWBOAZSJQJAHK-LBPRGKRZSA-N -1 3 382.416 3.905 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(Br)c1 ZINC000106972464 885220317 /nfs/dbraw/zinc/22/03/17/885220317.db2.gz WTAMUXUEDCKECJ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000747379177 885325184 /nfs/dbraw/zinc/32/51/84/885325184.db2.gz UIVQHQPWKKIKSU-KBPBESRZSA-N -1 3 390.281 3.662 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)n[n-]2)o1 ZINC000919327699 885340906 /nfs/dbraw/zinc/34/09/06/885340906.db2.gz IYWBKEVDBGEUNL-INIZCTEOSA-N -1 3 395.459 3.961 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)[n-]n2)o1 ZINC000919327699 885340926 /nfs/dbraw/zinc/34/09/26/885340926.db2.gz IYWBKEVDBGEUNL-INIZCTEOSA-N -1 3 395.459 3.961 20 0 GHADHM O=C(Nc1ncccc1[O-])C1(Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC001183967168 912931190 /nfs/dbraw/zinc/93/11/90/912931190.db2.gz KJPQJWSRNDAJCK-UHFFFAOYSA-N -1 3 380.366 3.784 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000747404333 885544318 /nfs/dbraw/zinc/54/43/18/885544318.db2.gz BPUTZZKAOCVJMZ-AWEZNQCLSA-N -1 3 388.899 3.666 20 0 GHADHM CSc1nnc(CCCNC(=O)c2ccc(C(C)C)cc2[O-])n1CC(C)C ZINC000108145872 885587594 /nfs/dbraw/zinc/58/75/94/885587594.db2.gz DHYWVCRKONUNAK-UHFFFAOYSA-N -1 3 390.553 3.848 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460425006 885618833 /nfs/dbraw/zinc/61/88/33/885618833.db2.gz LGOLIWJHMRQXAD-UHFFFAOYSA-N -1 3 388.533 3.930 20 0 GHADHM Cc1cccc2nc(CN3CCC(C(=O)Nc4cc(Cl)ccc4[O-])CC3)cn21 ZINC000193369169 885786387 /nfs/dbraw/zinc/78/63/87/885786387.db2.gz GXYOEVGMSIMEIR-UHFFFAOYSA-N -1 3 398.894 3.852 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000046851471 885916152 /nfs/dbraw/zinc/91/61/52/885916152.db2.gz HHRQDTYHOQSFDX-UHFFFAOYSA-N -1 3 389.411 3.843 20 0 GHADHM O=C1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc21 ZINC000498858093 885924490 /nfs/dbraw/zinc/92/44/90/885924490.db2.gz UHRNIRLFSCEYPZ-CYBMUJFWSA-N -1 3 389.782 3.965 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc2c(c1)CCCC2 ZINC000116951019 886001578 /nfs/dbraw/zinc/00/15/78/886001578.db2.gz WFFPPAPUMICUHP-KKSFZXQISA-N -1 3 392.499 3.753 20 0 GHADHM [O-]c1ccc(CN2CCC[C@](O)(c3ccc(Br)cc3)C2)c(F)c1F ZINC001184096966 912999095 /nfs/dbraw/zinc/99/90/95/912999095.db2.gz BITLLWDKOHNFAU-GOSISDBHSA-N -1 3 398.247 3.917 20 0 GHADHM C[C@H](C(=O)[N-]OCCC(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000155063824 886174895 /nfs/dbraw/zinc/17/48/95/886174895.db2.gz YMUZNVHUPBFEED-GXTWGEPZSA-N -1 3 390.402 3.889 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1c(Cl)cccc1Cl ZINC000762530508 886336315 /nfs/dbraw/zinc/33/63/15/886336315.db2.gz UMFROAKBEUQHCW-WOPDTQHZSA-N -1 3 384.375 3.651 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)nc21 ZINC000532608184 886404215 /nfs/dbraw/zinc/40/42/15/886404215.db2.gz PAKBHVNUSNSKNE-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)c3nnc(-c4cccc(C)c4)o3)n[n-]c21 ZINC000808673494 886670093 /nfs/dbraw/zinc/67/00/93/886670093.db2.gz QGDHDPRQBYTFCR-GFCCVEGCSA-N -1 3 378.388 3.848 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000808673494 886670101 /nfs/dbraw/zinc/67/01/01/886670101.db2.gz QGDHDPRQBYTFCR-GFCCVEGCSA-N -1 3 378.388 3.848 20 0 GHADHM CCc1sc(-c2nnc(COC(=O)c3n[n-]c4c3cccc4OC)o2)cc1C ZINC000808675145 886673653 /nfs/dbraw/zinc/67/36/53/886673653.db2.gz XJARVSHCSBNGGY-UHFFFAOYSA-N -1 3 398.444 3.911 20 0 GHADHM CCc1sc(-c2nnc(COC(=O)c3[n-]nc4c3cccc4OC)o2)cc1C ZINC000808675145 886673674 /nfs/dbraw/zinc/67/36/74/886673674.db2.gz XJARVSHCSBNGGY-UHFFFAOYSA-N -1 3 398.444 3.911 20 0 GHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000132120788 886690920 /nfs/dbraw/zinc/69/09/20/886690920.db2.gz ZHPFIYFXMICRCM-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CCCCc1nc(NC(=O)c2ccnc(C(F)(F)F)c2)c(C(=O)OCC)[n-]1 ZINC000808766668 886742383 /nfs/dbraw/zinc/74/23/83/886742383.db2.gz AHIPNPXMDRKRAB-UHFFFAOYSA-N -1 3 384.358 3.595 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000119555890 886747988 /nfs/dbraw/zinc/74/79/88/886747988.db2.gz GBZCINVYPLAUNB-UHFFFAOYSA-N -1 3 387.439 3.515 20 0 GHADHM CC(C)c1cc(Br)ccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000536548421 886970093 /nfs/dbraw/zinc/97/00/93/886970093.db2.gz AGXHDLSEYISRBQ-UHFFFAOYSA-N -1 3 391.265 3.647 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC(=O)N3)cc1 ZINC000863421038 887093512 /nfs/dbraw/zinc/09/35/12/887093512.db2.gz DRCKEPMNIZXRDQ-UHFFFAOYSA-N -1 3 376.434 3.584 20 0 GHADHM O=C(Nc1cccc(-c2nnsc2Cl)c1)c1c[n-]c2ccccc2c1=O ZINC001131577813 887122187 /nfs/dbraw/zinc/12/21/87/887122187.db2.gz UNUAGYHWSBUIRI-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM C[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(-n2ccnn2)cc1 ZINC000794563649 887390528 /nfs/dbraw/zinc/39/05/28/887390528.db2.gz WNYWRFRXEGSHHC-GFCCVEGCSA-N -1 3 396.834 3.584 20 0 GHADHM CCc1cccc(C)c1NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000153723327 887426510 /nfs/dbraw/zinc/42/65/10/887426510.db2.gz UXKNFFHDJOCMLK-UHFFFAOYSA-N -1 3 376.456 3.940 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC001131707789 887443226 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CC(C)=CC[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000864528927 887831694 /nfs/dbraw/zinc/83/16/94/887831694.db2.gz WBZGCHOPADCPIQ-CYBMUJFWSA-N -1 3 393.652 3.844 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1NC(C)=O ZINC000055582269 888205206 /nfs/dbraw/zinc/20/52/06/888205206.db2.gz FDFFEFGESDQHIE-UHFFFAOYSA-N -1 3 392.477 3.550 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(C(C)(C)C)cc2Br)c1[O-] ZINC000614861845 888330905 /nfs/dbraw/zinc/33/09/05/888330905.db2.gz UYMDVTXDVNNZDI-UHFFFAOYSA-N -1 3 380.242 3.561 20 0 GHADHM O=C(Nc1ccc(NCc2cccc([O-])c2Br)cc1)[C@@H]1CCCO1 ZINC000459378806 888417392 /nfs/dbraw/zinc/41/73/92/888417392.db2.gz ZGLDAKNNZDXSRI-INIZCTEOSA-N -1 3 391.265 3.884 20 0 GHADHM CC[C@H](C)CONC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000794854736 888491775 /nfs/dbraw/zinc/49/17/75/888491775.db2.gz WQHPDOPREVUKAI-ZDUSSCGKSA-N -1 3 394.468 3.642 20 0 GHADHM CC[C@H](C)N(CCO)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000287305952 913251710 /nfs/dbraw/zinc/25/17/10/913251710.db2.gz 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Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000796097569 913298947 /nfs/dbraw/zinc/29/89/47/913298947.db2.gz AWPCXRXKYBZJKA-BDJLRTHQSA-N -1 3 391.386 3.553 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000532880873 889151144 /nfs/dbraw/zinc/15/11/44/889151144.db2.gz BVJHTTPXEKUUIU-AVGNSLFASA-N -1 3 387.307 3.746 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4c(cccc4N(C)C)s3)nc21 ZINC001127416199 889308514 /nfs/dbraw/zinc/30/85/14/889308514.db2.gz BLKCNZPQUXUHHG-UHFFFAOYSA-N -1 3 394.456 3.883 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(F)cc3Cl)nc21 ZINC000533004346 889504187 /nfs/dbraw/zinc/50/41/87/889504187.db2.gz XRXPJBWAOLBEHS-VIFPVBQESA-N -1 3 391.786 3.548 20 0 GHADHM COc1ccc(C)cc1NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393387 889533455 /nfs/dbraw/zinc/53/34/55/889533455.db2.gz GVIFTJHANRPAKQ-UHFFFAOYSA-N -1 3 378.837 3.995 20 0 GHADHM COc1ccccc1N1CC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1=O ZINC000811396207 889537785 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GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)cc1F ZINC000122790589 890080187 /nfs/dbraw/zinc/08/01/87/890080187.db2.gz CBGNMYANIGYKBD-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@@H](C)c3ccc(C)cc3C)nc(=O)c2c1C ZINC000533251981 890096807 /nfs/dbraw/zinc/09/68/07/890096807.db2.gz QELOFBWEDXGPRA-AWEZNQCLSA-N -1 3 399.516 3.889 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Br)o1)[N-]OC/C=C\Cl ZINC000812401791 890585047 /nfs/dbraw/zinc/58/50/47/890585047.db2.gz DKRRQZHVIUWASD-BAQGIRSFSA-N -1 3 385.645 3.837 20 0 GHADHM O=S(=O)(CC1CCCC1)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000533467939 890628284 /nfs/dbraw/zinc/62/82/84/890628284.db2.gz DGBRGWVRIYIAGH-INIZCTEOSA-N -1 3 397.541 3.580 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)ccc1F ZINC001133381491 890804069 /nfs/dbraw/zinc/80/40/69/890804069.db2.gz IWONMDJCJQORPJ-JLTOFOAXSA-N -1 3 398.544 3.847 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(Cl)cc1Cl)c1cccnc1Cl ZINC001184897303 913490616 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CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)cc1Cl ZINC000127657749 891193054 /nfs/dbraw/zinc/19/30/54/891193054.db2.gz YMNVCLZVJSNANI-HNNXBMFYSA-N -1 3 376.881 3.685 20 0 GHADHM COc1cccc(-c2nc(CN3CC[C@]4(C(=O)[O-])CCC[C@H]34)cs2)c1OC ZINC000872171172 891195256 /nfs/dbraw/zinc/19/52/56/891195256.db2.gz NRSRDNLZUMJXKB-OXJNMPFZSA-N -1 3 388.489 3.657 20 0 GHADHM CCCCCOc1cc(C)ccc1CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000127799848 891255381 /nfs/dbraw/zinc/25/53/81/891255381.db2.gz HCZZSDUSZBFUAD-UHFFFAOYSA-N -1 3 385.508 3.513 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C(F)F)c3)CCCCC2)no1 ZINC000872433697 891259449 /nfs/dbraw/zinc/25/94/49/891259449.db2.gz BMVZEWIWEKAHQK-UHFFFAOYSA-N -1 3 389.399 3.593 20 0 GHADHM COC(=O)c1cc(Br)c(OC)cc1Nc1ccc([O-])c(F)c1F ZINC001212010882 891312316 /nfs/dbraw/zinc/31/23/16/891312316.db2.gz FDINZEUKRRQOTF-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2cc(Cl)ccc2[O-])c2nccn2C)c1 ZINC000237370840 891577887 /nfs/dbraw/zinc/57/78/87/891577887.db2.gz VSOWPABEVABPLM-IBGZPJMESA-N -1 3 387.867 3.676 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000128300501 891600393 /nfs/dbraw/zinc/60/03/93/891600393.db2.gz SKSMKFGVHFIQMJ-IBGZPJMESA-N -1 3 392.386 3.726 20 0 GHADHM C[C@@H](SCC(=O)N(C)C1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000067993249 891727229 /nfs/dbraw/zinc/72/72/29/891727229.db2.gz FMNYFWZVGGZXQI-SNVBAGLBSA-N -1 3 389.502 3.660 20 0 GHADHM C[C@@H](CCCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000813716634 891894108 /nfs/dbraw/zinc/89/41/08/891894108.db2.gz IJVZAOPAJWTEHX-NSHDSACASA-N -1 3 396.962 3.763 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3ccc(F)c(F)c3)s2)c2ccccc21 ZINC000874019973 891937263 /nfs/dbraw/zinc/93/72/63/891937263.db2.gz FPWKPYVNBXGERT-XNTDXEJSSA-N -1 3 397.406 3.735 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1NC(=O)c1cccs1 ZINC000128482484 891989899 /nfs/dbraw/zinc/98/98/99/891989899.db2.gz BEZUSALDZXGWRN-UHFFFAOYSA-N -1 3 393.428 3.939 20 0 GHADHM CO[C@@H]1CCC[C@H]1Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000645028916 913621122 /nfs/dbraw/zinc/62/11/22/913621122.db2.gz PDCPSVONIGCZDX-ZIAGYGMSSA-N -1 3 376.869 3.834 20 0 GHADHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000124923826 892072355 /nfs/dbraw/zinc/07/23/55/892072355.db2.gz QNDREAFXFUBJSW-FMIVXFBMSA-N -1 3 392.452 3.633 20 0 GHADHM CCc1cnccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825735820 892122833 /nfs/dbraw/zinc/12/28/33/892122833.db2.gz VITWXVHVYVITBT-HNNXBMFYSA-N -1 3 398.470 3.982 20 0 GHADHM CCc1cnccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825735820 892122845 /nfs/dbraw/zinc/12/28/45/892122845.db2.gz VITWXVHVYVITBT-HNNXBMFYSA-N -1 3 398.470 3.982 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCSC1 ZINC000288081925 913649743 /nfs/dbraw/zinc/64/97/43/913649743.db2.gz PPTNMPMLIMCOSV-OXJNMPFZSA-N -1 3 398.528 3.513 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001134128650 892323371 /nfs/dbraw/zinc/32/33/71/892323371.db2.gz RPEUFSAUZUDKHC-UHFFFAOYSA-N -1 3 378.276 3.903 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001134128650 892323387 /nfs/dbraw/zinc/32/33/87/892323387.db2.gz RPEUFSAUZUDKHC-UHFFFAOYSA-N -1 3 378.276 3.903 20 0 GHADHM CC1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000030123566 892357962 /nfs/dbraw/zinc/35/79/62/892357962.db2.gz FXRRPCWEOLKTPO-UHFFFAOYSA-N -1 3 384.517 3.553 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1[O-] ZINC000611787990 892443100 /nfs/dbraw/zinc/44/31/00/892443100.db2.gz AKMNRGKEQAIWDK-UHFFFAOYSA-N -1 3 378.350 3.624 20 0 GHADHM CN(C(=O)CN1CCC[C@@H](CCC(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000263127379 892444409 /nfs/dbraw/zinc/44/44/09/892444409.db2.gz MQBJCHQPONPKOO-IBGZPJMESA-N -1 3 394.515 3.811 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCOc2ccccc2F)c(-c2ccccc2)s1 ZINC001185111532 913670288 /nfs/dbraw/zinc/67/02/88/913670288.db2.gz LQMLYJBTCMJSSN-UHFFFAOYSA-N -1 3 392.477 3.615 20 0 GHADHM O=C1[C@@H](NCc2cccc([O-])c2Cl)CCN1c1ccccc1C(F)(F)F ZINC000645171792 913725214 /nfs/dbraw/zinc/72/52/14/913725214.db2.gz GVUOPYQDNNNPOP-ZDUSSCGKSA-N -1 3 384.785 3.960 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(-c4cnco4)cc3)cc2)cn1 ZINC001185221990 913737723 /nfs/dbraw/zinc/73/77/23/913737723.db2.gz NBLOBSOTNSLWET-UHFFFAOYSA-N -1 3 380.429 3.637 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)nc21 ZINC001134753708 893289415 /nfs/dbraw/zinc/28/94/15/893289415.db2.gz UCMUGTDEAPRAFZ-MRXNPFEDSA-N -1 3 393.443 3.886 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCSC2(CCCCC2)C1 ZINC000934293640 893527410 /nfs/dbraw/zinc/52/74/10/893527410.db2.gz BGFMRJKYGFWYIF-UHFFFAOYSA-N -1 3 378.444 3.698 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000815186470 893532880 /nfs/dbraw/zinc/53/28/80/893532880.db2.gz UFYHIPFPPBPCBL-BLLLJJGKSA-N -1 3 382.888 3.954 20 0 GHADHM CCc1nc(C(C)C)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000815190266 893537050 /nfs/dbraw/zinc/53/70/50/893537050.db2.gz YJAGPCYZRSERSK-FQEVSTJZSA-N -1 3 396.487 3.821 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1nn(-c2ccc(F)cc2)cc1Br ZINC000129572650 893646951 /nfs/dbraw/zinc/64/69/51/893646951.db2.gz JBMQAXMLHLEJHJ-UHFFFAOYSA-N -1 3 394.175 3.871 20 0 GHADHM CCC[C@H](CC)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134978290 893762095 /nfs/dbraw/zinc/76/20/95/893762095.db2.gz MFPXKHGZESCJNI-VIFPVBQESA-N -1 3 382.258 3.877 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000288569891 913808250 /nfs/dbraw/zinc/80/82/50/913808250.db2.gz HJUVTOYVCJZYTM-UHFFFAOYSA-N -1 3 380.242 3.744 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)CCO1 ZINC000288547918 913802709 /nfs/dbraw/zinc/80/27/09/913802709.db2.gz PIJTZLNGYNDQJO-ZDUSSCGKSA-N -1 3 382.432 3.650 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1nc2c(c(=O)[n-]1)COCC2)C1CC1 ZINC000878037536 893968834 /nfs/dbraw/zinc/96/88/34/893968834.db2.gz NAVIZZZFNNNUNM-LBPRGKRZSA-N -1 3 393.409 3.999 20 0 GHADHM Cn1cc([C@H](NCc2cccc(Br)c2[O-])c2ccc(F)cc2)cn1 ZINC000187520418 894038589 /nfs/dbraw/zinc/03/85/89/894038589.db2.gz YCFLJSQPVNWRJO-QGZVFWFLSA-N -1 3 390.256 3.907 20 0 GHADHM O=S(=O)([N-]c1ccc2scnc2c1Br)c1ccsc1 ZINC001185392219 913835307 /nfs/dbraw/zinc/83/53/07/913835307.db2.gz XQYRCCRNUBTDLI-UHFFFAOYSA-N -1 3 375.294 3.921 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](c4nccs4)C3)cc2)cc(=O)[n-]1 ZINC000878297155 894172289 /nfs/dbraw/zinc/17/22/89/894172289.db2.gz XSIFEWZGWOASKA-CQSZACIVSA-N -1 3 381.461 3.636 20 0 GHADHM COc1cccc2c1[C@@H](C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)CC2 ZINC000815962608 894338227 /nfs/dbraw/zinc/33/82/27/894338227.db2.gz WAUFEWZOACBLFM-KRWDZBQOSA-N -1 3 376.412 3.802 20 0 GHADHM CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000815973967 894347770 /nfs/dbraw/zinc/34/77/70/894347770.db2.gz USIKMWKSNSFMKL-GOSISDBHSA-N -1 3 381.432 3.549 20 0 GHADHM CCC1(c2ccc(Cl)cc2)CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC000878534101 894366478 /nfs/dbraw/zinc/36/64/78/894366478.db2.gz FGTDTNSCZCDBKS-UHFFFAOYSA-N -1 3 387.911 3.852 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2csc(C)c2C)c1 ZINC001170808552 894383478 /nfs/dbraw/zinc/38/34/78/894383478.db2.gz PXOSXLOPFNICLF-UHFFFAOYSA-N -1 3 385.445 3.549 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)s1 ZINC001135391772 894488922 /nfs/dbraw/zinc/48/89/22/894488922.db2.gz HHUIUWHTKFFASJ-UHFFFAOYSA-N -1 3 376.394 3.589 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@H](c3c(F)cccc3Cl)C2)o1 ZINC000878771805 894592687 /nfs/dbraw/zinc/59/26/87/894592687.db2.gz WHNVKPOHMRUZJS-INIZCTEOSA-N -1 3 389.814 3.808 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ncc2F)ccc1Cl ZINC001185495824 913915517 /nfs/dbraw/zinc/91/55/17/913915517.db2.gz AXUWOMSESVLMDG-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CCN(C(=O)OCc2ccccc2)C1 ZINC000816547639 894918460 /nfs/dbraw/zinc/91/84/60/894918460.db2.gz CQSGOTHDTRAPPK-HXUWFJFHSA-N -1 3 388.851 3.577 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1ccc2ncccc2c1 ZINC000564399757 894936499 /nfs/dbraw/zinc/93/64/99/894936499.db2.gz HTJICGNHOBTYAR-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM O=C(NCC1CCN(Cc2c(F)ccc([O-])c2F)CC1)OCc1ccccc1 ZINC000816594301 894937138 /nfs/dbraw/zinc/93/71/38/894937138.db2.gz XPGXWDBSJAEPMN-UHFFFAOYSA-N -1 3 390.430 3.809 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)OCCC[N-]C(=O)C(F)(F)F ZINC000774891067 913919907 /nfs/dbraw/zinc/91/99/07/913919907.db2.gz XLVUUVCEMOAKGC-UHFFFAOYSA-N -1 3 379.378 3.820 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2cnc3c(OC(F)(F)F)cccc3c2[O-])cc1 ZINC001135728263 895176545 /nfs/dbraw/zinc/17/65/45/895176545.db2.gz GYVLNYPCLGFVRZ-UHFFFAOYSA-N -1 3 390.317 3.882 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(Cl)n1 ZINC000760325741 895177812 /nfs/dbraw/zinc/17/78/12/895177812.db2.gz SNXPRSOJUMVAFZ-UHFFFAOYSA-N -1 3 379.825 3.508 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1F ZINC001185530136 913942871 /nfs/dbraw/zinc/94/28/71/913942871.db2.gz UVCWJLCYLWJWBY-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000816914954 895202077 /nfs/dbraw/zinc/20/20/77/895202077.db2.gz JMKFUGZGNRDYGA-UHFFFAOYSA-N -1 3 395.528 3.897 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(C2CCOCC2)CC1 ZINC000565105531 895390440 /nfs/dbraw/zinc/39/04/40/895390440.db2.gz HRRKZXLUCKLYCU-QGZVFWFLSA-N -1 3 382.298 3.713 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1(c2c(F)cccc2F)CCC1 ZINC000817252189 895418330 /nfs/dbraw/zinc/41/83/30/895418330.db2.gz WYULQRINRYCHMD-UHFFFAOYSA-N -1 3 386.354 3.886 20 0 GHADHM COCCN(C(=O)[C@@H](C)CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157410 895684970 /nfs/dbraw/zinc/68/49/70/895684970.db2.gz UOYNUUFXRJMAFC-KRWDZBQOSA-N -1 3 393.491 3.505 20 0 GHADHM COCCN(C(=O)[C@@H](C)CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157410 895684977 /nfs/dbraw/zinc/68/49/77/895684977.db2.gz UOYNUUFXRJMAFC-KRWDZBQOSA-N -1 3 393.491 3.505 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000565570287 895731747 /nfs/dbraw/zinc/73/17/47/895731747.db2.gz VAHWEOJVRVZLOB-UHFFFAOYSA-N -1 3 393.877 3.711 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000565739009 895843322 /nfs/dbraw/zinc/84/33/22/895843322.db2.gz XAAUATJBJKVDIT-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817964013 895979418 /nfs/dbraw/zinc/97/94/18/895979418.db2.gz XAKDMAXDNPKIFV-OAHLLOKOSA-N -1 3 376.888 3.766 20 0 GHADHM O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136109772 896023891 /nfs/dbraw/zinc/02/38/91/896023891.db2.gz LZCHEQHXNAZTAL-QGZVFWFLSA-N -1 3 377.396 3.754 20 0 GHADHM COc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c(Cl)c1 ZINC000818336305 896118084 /nfs/dbraw/zinc/11/80/84/896118084.db2.gz AIPFATIIMPBNCR-LLVKDONJSA-N -1 3 384.885 3.902 20 0 GHADHM O=C(COC(=O)c1cc(Cl)cc(C(F)(F)F)c1)[N-]C(=O)c1cccs1 ZINC000778523155 896153073 /nfs/dbraw/zinc/15/30/73/896153073.db2.gz BSXZQZSFSKYHRG-UHFFFAOYSA-N -1 3 391.754 3.534 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC001136145100 896169341 /nfs/dbraw/zinc/16/93/41/896169341.db2.gz SKKGLJOULDHXTP-UHFFFAOYSA-N -1 3 376.412 3.952 20 0 GHADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826215383 896383377 /nfs/dbraw/zinc/38/33/77/896383377.db2.gz NJFROBMMIVUQJP-FZKQIMNGSA-N -1 3 394.504 3.655 20 0 GHADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826215383 896383386 /nfs/dbraw/zinc/38/33/86/896383386.db2.gz NJFROBMMIVUQJP-FZKQIMNGSA-N -1 3 394.504 3.655 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@H](Oc3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826237452 896592155 /nfs/dbraw/zinc/59/21/55/896592155.db2.gz AIXCXPDPMXGPCN-NSHDSACASA-N -1 3 391.262 3.535 20 0 GHADHM Cc1c(Cl)cnc(N2CC[C@H](Oc3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826237452 896592162 /nfs/dbraw/zinc/59/21/62/896592162.db2.gz AIXCXPDPMXGPCN-NSHDSACASA-N -1 3 391.262 3.535 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cccc1-c1nnn[n-]1 ZINC000826241646 896594074 /nfs/dbraw/zinc/59/40/74/896594074.db2.gz KAKWXVWZCKFWOT-INIZCTEOSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cccc1-c1nn[n-]n1 ZINC000826241646 896594087 /nfs/dbraw/zinc/59/40/87/896594087.db2.gz KAKWXVWZCKFWOT-INIZCTEOSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)ccc1O ZINC000826259714 896748639 /nfs/dbraw/zinc/74/86/39/896748639.db2.gz BIATYKXTBSFJFJ-UHFFFAOYSA-N -1 3 391.456 3.539 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000826272245 896823726 /nfs/dbraw/zinc/82/37/26/896823726.db2.gz ZYTLTTCCMYRXCK-TZMCWYRMSA-N -1 3 378.436 3.737 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000888913426 896846584 /nfs/dbraw/zinc/84/65/84/896846584.db2.gz FPUYDKFNWUSMJB-LJQANCHMSA-N -1 3 387.501 3.518 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc1O ZINC000826282496 896867632 /nfs/dbraw/zinc/86/76/32/896867632.db2.gz QXTMDQHVJOSJKW-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc1O ZINC000826282496 896867638 /nfs/dbraw/zinc/86/76/38/896867638.db2.gz QXTMDQHVJOSJKW-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc([C@H](F)C(F)(F)F)cc2)CCOC1 ZINC000882795618 896993827 /nfs/dbraw/zinc/99/38/27/896993827.db2.gz QAWBIJWGGJIIMQ-GJZGRUSLSA-N -1 3 399.406 3.585 20 0 GHADHM Cc1nn(C)c(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C(F)F)c1C(F)F ZINC000882818571 897012033 /nfs/dbraw/zinc/01/20/33/897012033.db2.gz SHNDQDKDRKOBMK-NSHDSACASA-N -1 3 399.797 3.604 20 0 GHADHM CC(C)CCCCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820072932 897122894 /nfs/dbraw/zinc/12/28/94/897122894.db2.gz NUIYYHWYNJDEPI-UHFFFAOYSA-N -1 3 384.528 3.512 20 0 GHADHM CC(C)CCCCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820072932 897122897 /nfs/dbraw/zinc/12/28/97/897122897.db2.gz NUIYYHWYNJDEPI-UHFFFAOYSA-N -1 3 384.528 3.512 20 0 GHADHM Cc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826298703 897224035 /nfs/dbraw/zinc/22/40/35/897224035.db2.gz DXAZUEKLABXMOI-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826298703 897224054 /nfs/dbraw/zinc/22/40/54/897224054.db2.gz DXAZUEKLABXMOI-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(CC)CC ZINC001137183440 897245726 /nfs/dbraw/zinc/24/57/26/897245726.db2.gz ITXLIQRDPVSYLC-SJORKVTESA-N -1 3 392.446 3.862 20 0 GHADHM COc1ccc(Br)cc1-c1nc(CN[C@H](C)[C@H](C)C(=O)[O-])cs1 ZINC000567619996 897296606 /nfs/dbraw/zinc/29/66/06/897296606.db2.gz LHRZKCHZHTWMSQ-VHSXEESVSA-N -1 3 399.310 3.780 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1)c1ccc(C)o1 ZINC000567652439 897313108 /nfs/dbraw/zinc/31/31/08/897313108.db2.gz CSVDVAHDKHZWPN-AWEZNQCLSA-N -1 3 377.384 3.581 20 0 GHADHM CCc1ccc([C@@H]2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)cc1 ZINC000820421106 897338255 /nfs/dbraw/zinc/33/82/55/897338255.db2.gz FPHQRQOISQJQER-OAHLLOKOSA-N -1 3 382.410 3.998 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1ccc(Cl)nc1 ZINC000131520756 897491364 /nfs/dbraw/zinc/49/13/64/897491364.db2.gz BNHLXQJNWQOUHE-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1ccsc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826315778 897508192 /nfs/dbraw/zinc/50/81/92/897508192.db2.gz TUDXQAZRPQUTMJ-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1ccsc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826315778 897508201 /nfs/dbraw/zinc/50/82/01/897508201.db2.gz TUDXQAZRPQUTMJ-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM Cc1ccncc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826315031 897516153 /nfs/dbraw/zinc/51/61/53/897516153.db2.gz WFFYBZZMQJXTJL-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccncc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826315031 897516163 /nfs/dbraw/zinc/51/61/63/897516163.db2.gz WFFYBZZMQJXTJL-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000820740947 897529614 /nfs/dbraw/zinc/52/96/14/897529614.db2.gz AROVTJZUGZIGIO-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000820740947 897529629 /nfs/dbraw/zinc/52/96/29/897529629.db2.gz AROVTJZUGZIGIO-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM COc1cc2c(cc1OC)C(C)(C)N(CCOc1ccccc1C(=O)[O-])CC2 ZINC000883411762 897569814 /nfs/dbraw/zinc/56/98/14/897569814.db2.gz HKPARAGHWAADHU-UHFFFAOYSA-N -1 3 385.460 3.574 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826321640 897582851 /nfs/dbraw/zinc/58/28/51/897582851.db2.gz KXVYGFKMEQEXPJ-QGZVFWFLSA-N -1 3 394.483 3.664 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826321640 897582865 /nfs/dbraw/zinc/58/28/65/897582865.db2.gz KXVYGFKMEQEXPJ-QGZVFWFLSA-N -1 3 394.483 3.664 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)C1 ZINC000132095375 897665175 /nfs/dbraw/zinc/66/51/75/897665175.db2.gz CCBCGOIMFTXSLD-SCZZXKLOSA-N -1 3 382.707 3.578 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C1 ZINC000132095788 897665552 /nfs/dbraw/zinc/66/55/52/897665552.db2.gz CCBCGOIMFTXSLD-PSASIEDQSA-N -1 3 382.707 3.578 20 0 GHADHM COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000568211155 897678079 /nfs/dbraw/zinc/67/80/79/897678079.db2.gz UAFBNNRMZJPPII-IBGZPJMESA-N -1 3 389.455 3.782 20 0 GHADHM CC[C@@H](NC(=O)CCCCCCCNC(=O)c1ccccc1[O-])C(F)(F)F ZINC001185940705 914185007 /nfs/dbraw/zinc/18/50/07/914185007.db2.gz RIHSDWCGANAXRQ-MRXNPFEDSA-N -1 3 388.430 3.920 20 0 GHADHM CC1(C)CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000568552945 897931329 /nfs/dbraw/zinc/93/13/29/897931329.db2.gz HDEQMGCGGFTLJM-CYBMUJFWSA-N -1 3 393.484 3.511 20 0 GHADHM Clc1ccc(-n2ccc(NCc3cnc(C4CC4)s3)n2)c(-c2nnn[n-]2)c1 ZINC000826351202 897940633 /nfs/dbraw/zinc/94/06/33/897940633.db2.gz CAMCRUKQJWNTIM-UHFFFAOYSA-N -1 3 398.883 3.652 20 0 GHADHM Clc1ccc(-n2ccc(NCc3cnc(C4CC4)s3)n2)c(-c2nn[n-]n2)c1 ZINC000826351202 897940639 /nfs/dbraw/zinc/94/06/39/897940639.db2.gz CAMCRUKQJWNTIM-UHFFFAOYSA-N -1 3 398.883 3.652 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1n[nH]c2c1CCCC2 ZINC001185930285 914209928 /nfs/dbraw/zinc/20/99/28/914209928.db2.gz SZBGCRBMNYBIRN-UHFFFAOYSA-N -1 3 398.507 3.703 20 0 GHADHM C[C@H]1C[C@@H](CF)N(C(=O)CCCCCCCNC(=O)c2ccccc2[O-])C1 ZINC001185931366 914210960 /nfs/dbraw/zinc/21/09/60/914210960.db2.gz TVGTUNSZLZMCSG-IRXDYDNUSA-N -1 3 378.488 3.669 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289497284 914213016 /nfs/dbraw/zinc/21/30/16/914213016.db2.gz PQIZDIDBMPKGJW-CABCVRRESA-N -1 3 399.457 3.528 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)C2)n1 ZINC000826368790 898200846 /nfs/dbraw/zinc/20/08/46/898200846.db2.gz BKCQDRRXNLGRSM-LLVKDONJSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3ccc(Cl)cc3-c3nn[n-]n3)C2)n1 ZINC000826368790 898200861 /nfs/dbraw/zinc/20/08/61/898200861.db2.gz BKCQDRRXNLGRSM-LLVKDONJSA-N -1 3 397.792 3.577 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)o1 ZINC000568935490 898223222 /nfs/dbraw/zinc/22/32/22/898223222.db2.gz ZLJSQGZFBLLILC-LLVKDONJSA-N -1 3 393.852 3.863 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc2)C[C@H](C)O1 ZINC000133265811 898257339 /nfs/dbraw/zinc/25/73/39/898257339.db2.gz DUABVRNWQGWTLB-IYBDPMFKSA-N -1 3 397.500 3.649 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233871 898262066 /nfs/dbraw/zinc/26/20/66/898262066.db2.gz XASWYPZONJRAOT-IBGZPJMESA-N -1 3 376.464 3.612 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233871 898262082 /nfs/dbraw/zinc/26/20/82/898262082.db2.gz XASWYPZONJRAOT-IBGZPJMESA-N -1 3 376.464 3.612 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822240244 898264662 /nfs/dbraw/zinc/26/46/62/898264662.db2.gz YXEYXUOJJBXITJ-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)ccc2O1 ZINC000569042715 898294438 /nfs/dbraw/zinc/29/44/38/898294438.db2.gz NOGUPSYJAJEQJP-AWEZNQCLSA-N -1 3 382.441 3.998 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@H]1C1CC1 ZINC000569190842 898403829 /nfs/dbraw/zinc/40/38/29/898403829.db2.gz FNKXQXHKWBODKB-IBGZPJMESA-N -1 3 388.464 3.559 20 0 GHADHM Fc1cc(F)cc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826372555 898456858 /nfs/dbraw/zinc/45/68/58/898456858.db2.gz BRQSFESAFFGMBS-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(COCC(F)(F)C(F)F)no1 ZINC000289610635 914263585 /nfs/dbraw/zinc/26/35/85/914263585.db2.gz ARRGFKFOAYXNGX-UHFFFAOYSA-N -1 3 385.676 3.531 20 0 GHADHM O=C(OCc1coc(-c2ccc(Br)cc2)n1)c1cccc2nn[n-]c21 ZINC000800206881 898743223 /nfs/dbraw/zinc/74/32/23/898743223.db2.gz KTSCEPNHZJZYTA-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1coc(-c2ccc(Br)cc2)n1)c1cccc2[n-]nnc21 ZINC000800206881 898743231 /nfs/dbraw/zinc/74/32/31/898743231.db2.gz KTSCEPNHZJZYTA-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM O=C(OCc1coc(-c2ccc(Br)cc2)n1)c1cccc2n[n-]nc21 ZINC000800206881 898743236 /nfs/dbraw/zinc/74/32/36/898743236.db2.gz KTSCEPNHZJZYTA-UHFFFAOYSA-N -1 3 399.204 3.732 20 0 GHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000800209394 898745046 /nfs/dbraw/zinc/74/50/46/898745046.db2.gz WXAJXPZGMVOGQK-KBPBESRZSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000800209394 898745055 /nfs/dbraw/zinc/74/50/55/898745055.db2.gz WXAJXPZGMVOGQK-KBPBESRZSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000800209394 898745063 /nfs/dbraw/zinc/74/50/63/898745063.db2.gz WXAJXPZGMVOGQK-KBPBESRZSA-N -1 3 388.427 3.534 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)c1 ZINC001186056249 914286710 /nfs/dbraw/zinc/28/67/10/914286710.db2.gz CHTGFALMKMWASW-QGZVFWFLSA-N -1 3 391.464 3.703 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncc(-c2ccccc2)c1 ZINC000823308575 898944848 /nfs/dbraw/zinc/94/48/48/898944848.db2.gz FMZNYNXCZLBFDK-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(-c2ccccc2)c1 ZINC000823308575 898944858 /nfs/dbraw/zinc/94/48/58/898944858.db2.gz FMZNYNXCZLBFDK-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM CC1(C)CC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000331616111 899027583 /nfs/dbraw/zinc/02/75/83/899027583.db2.gz KSVAEROLXPUNDN-HNNXBMFYSA-N -1 3 393.915 3.984 20 0 GHADHM CCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2ccc(N)c(C)c2)ccc1Cl ZINC001186103791 914307146 /nfs/dbraw/zinc/30/71/46/914307146.db2.gz UNIXWIGKKDBCEY-UHFFFAOYSA-N -1 3 395.912 3.513 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000823523851 899071333 /nfs/dbraw/zinc/07/13/33/899071333.db2.gz KSXJEGMZFANHBE-CQSZACIVSA-N -1 3 394.537 3.833 20 0 GHADHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001186116920 914312554 /nfs/dbraw/zinc/31/25/54/914312554.db2.gz PDAHFPVAOTYZJB-KRWDZBQOSA-N -1 3 393.578 3.743 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646200716 914320244 /nfs/dbraw/zinc/32/02/44/914320244.db2.gz KFRQBSXCJWNXSF-HUUCEWRRSA-N -1 3 397.475 3.502 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000570238175 899212470 /nfs/dbraw/zinc/21/24/70/899212470.db2.gz RHEGHMNCODAJNV-FQEVSTJZSA-N -1 3 375.900 3.769 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)nc2)n1 ZINC000570402450 899303254 /nfs/dbraw/zinc/30/32/54/899303254.db2.gz YYNGRBAXNYWKNP-SFHVURJKSA-N -1 3 396.413 3.743 20 0 GHADHM Cc1ccc(F)cc1C1(c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)CC1 ZINC000570435755 899318156 /nfs/dbraw/zinc/31/81/56/899318156.db2.gz SPLSYVYGFILPSZ-UHFFFAOYSA-N -1 3 387.436 3.636 20 0 GHADHM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000824075423 899382057 /nfs/dbraw/zinc/38/20/57/899382057.db2.gz QUVNFWYUSMLMJV-MRVPVSSYSA-N -1 3 375.202 3.510 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)C2CCCC2)c1 ZINC000570606442 899433141 /nfs/dbraw/zinc/43/31/41/899433141.db2.gz QAVRMEUGAZEVMW-UHFFFAOYSA-N -1 3 385.464 3.887 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC001186185600 914349212 /nfs/dbraw/zinc/34/92/12/914349212.db2.gz CJPKXPAWIWMNMA-PVAVHDDUSA-N -1 3 399.528 3.989 20 0 GHADHM C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478289 899620755 /nfs/dbraw/zinc/62/07/55/899620755.db2.gz GICXAQGJPIGCOD-YWZLYKJASA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478289 899620759 /nfs/dbraw/zinc/62/07/59/899620759.db2.gz GICXAQGJPIGCOD-YWZLYKJASA-N -1 3 391.475 3.670 20 0 GHADHM C[C@H](NC(=O)COC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479933 899625399 /nfs/dbraw/zinc/62/53/99/899625399.db2.gz RUUJNHXGWCHUEH-AWEZNQCLSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@H](NC(=O)COC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479933 899625405 /nfs/dbraw/zinc/62/54/05/899625405.db2.gz RUUJNHXGWCHUEH-AWEZNQCLSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@H](NC(=O)CCc1ccco1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479627 899625648 /nfs/dbraw/zinc/62/56/48/899625648.db2.gz PAMWYXWNGIEZOH-HNNXBMFYSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@H](NC(=O)CCc1ccco1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479627 899625656 /nfs/dbraw/zinc/62/56/56/899625656.db2.gz PAMWYXWNGIEZOH-HNNXBMFYSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824624695 899745781 /nfs/dbraw/zinc/74/57/81/899745781.db2.gz BPADKJCPAAEUOB-CYBMUJFWSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824624695 899745795 /nfs/dbraw/zinc/74/57/95/899745795.db2.gz BPADKJCPAAEUOB-CYBMUJFWSA-N -1 3 382.443 3.573 20 0 GHADHM CSc1nc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)n[n-]1 ZINC000824783013 899830183 /nfs/dbraw/zinc/83/01/83/899830183.db2.gz PORLQBQBJVUADJ-UHFFFAOYSA-N -1 3 397.888 3.708 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824867381 899845096 /nfs/dbraw/zinc/84/50/96/899845096.db2.gz PNFUMJRPTQRFCS-ORAYPTAESA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824867381 899845105 /nfs/dbraw/zinc/84/51/05/899845105.db2.gz PNFUMJRPTQRFCS-ORAYPTAESA-N -1 3 391.431 3.603 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCO1 ZINC000332712791 899864161 /nfs/dbraw/zinc/86/41/61/899864161.db2.gz VJRYIODFDQLHJN-IINYFYTJSA-N -1 3 396.260 3.544 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824907266 899872961 /nfs/dbraw/zinc/87/29/61/899872961.db2.gz HNOVPEMNCPLJSC-WMLDXEAASA-N -1 3 377.448 3.820 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824907266 899872969 /nfs/dbraw/zinc/87/29/69/899872969.db2.gz HNOVPEMNCPLJSC-WMLDXEAASA-N -1 3 377.448 3.820 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000120847858 899893655 /nfs/dbraw/zinc/89/36/55/899893655.db2.gz QIJSNPTWGJEQSH-UHFFFAOYSA-N -1 3 391.471 3.561 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824936096 899898306 /nfs/dbraw/zinc/89/83/06/899898306.db2.gz DSHKSSJDHRENSW-UHOFOFEASA-N -1 3 383.418 3.655 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824936096 899898317 /nfs/dbraw/zinc/89/83/17/899898317.db2.gz DSHKSSJDHRENSW-UHOFOFEASA-N -1 3 383.418 3.655 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000571589248 899919150 /nfs/dbraw/zinc/91/91/50/899919150.db2.gz WAPKZOSLDIGODN-AOMKIAJQSA-N -1 3 383.444 3.595 20 0 GHADHM CCC(CC)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000134379724 900020138 /nfs/dbraw/zinc/02/01/38/900020138.db2.gz DBIRMCFQSVKHKF-UHFFFAOYSA-N -1 3 384.723 3.826 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H](Cc1cccnc1)C1CCCC1 ZINC000825297804 900077448 /nfs/dbraw/zinc/07/74/48/900077448.db2.gz FVHWUPFUMAADMY-LJQANCHMSA-N -1 3 380.492 3.510 20 0 GHADHM O=C(CCc1ccc(F)c2ccccc12)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304930 900080489 /nfs/dbraw/zinc/08/04/89/900080489.db2.gz OHDDKLSSELVKIY-UHFFFAOYSA-N -1 3 379.435 3.991 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000825318338 900089781 /nfs/dbraw/zinc/08/97/81/900089781.db2.gz LSODFCVZWQTDRG-UHFFFAOYSA-N -1 3 391.479 3.585 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000825318338 900089790 /nfs/dbraw/zinc/08/97/90/900089790.db2.gz LSODFCVZWQTDRG-UHFFFAOYSA-N -1 3 391.479 3.585 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000572187104 900096001 /nfs/dbraw/zinc/09/60/01/900096001.db2.gz DDHAWCAKLONOPD-DYXWJJEUSA-N -1 3 383.463 3.885 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)OCc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000884578211 900180521 /nfs/dbraw/zinc/18/05/21/900180521.db2.gz VYNFZOATFTVMJR-YOEHRIQHSA-N -1 3 380.400 3.688 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000843898173 900303491 /nfs/dbraw/zinc/30/34/91/900303491.db2.gz LWTRZICTOCMNKS-PHIMTYICSA-N -1 3 399.285 3.705 20 0 GHADHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000572997052 900336306 /nfs/dbraw/zinc/33/63/06/900336306.db2.gz AQRSWOQJADUYLQ-GFCCVEGCSA-N -1 3 390.452 3.868 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826452776 900611089 /nfs/dbraw/zinc/61/10/89/900611089.db2.gz HZEPRYCWIIYJSU-HNNXBMFYSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826452776 900611099 /nfs/dbraw/zinc/61/10/99/900611099.db2.gz HZEPRYCWIIYJSU-HNNXBMFYSA-N -1 3 384.827 3.556 20 0 GHADHM COC[C@H](NCc1cccc(Br)c1SC(C)(C)C)C(=O)[O-] ZINC000844295045 900684899 /nfs/dbraw/zinc/68/48/99/900684899.db2.gz ZFEMOHBFESWFRT-LBPRGKRZSA-N -1 3 376.316 3.529 20 0 GHADHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000573945585 900713318 /nfs/dbraw/zinc/71/33/18/900713318.db2.gz FUYQEBMYUBMLCB-CQSZACIVSA-N -1 3 390.842 3.605 20 0 GHADHM O=C(c1ccnc(C2CC2)c1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826474907 900849783 /nfs/dbraw/zinc/84/97/83/900849783.db2.gz KPMKARHOTQASMO-UHFFFAOYSA-N -1 3 396.454 3.986 20 0 GHADHM O=C(c1ccnc(C2CC2)c1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826474907 900849784 /nfs/dbraw/zinc/84/97/84/900849784.db2.gz KPMKARHOTQASMO-UHFFFAOYSA-N -1 3 396.454 3.986 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@H](OCc3ccccn3)C2)c1C ZINC000574919106 901052563 /nfs/dbraw/zinc/05/25/63/901052563.db2.gz LRFXDRAFVHFKJM-KRWDZBQOSA-N -1 3 377.444 3.740 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCCC(=O)N3)c2)cc1C ZINC000886485961 901068407 /nfs/dbraw/zinc/06/84/07/901068407.db2.gz NUPPLGSJQXCPPT-GOSISDBHSA-N -1 3 388.489 3.536 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC2(Sc3ccccc3)CCCC2)c(=O)[n-]1 ZINC000068209661 901079483 /nfs/dbraw/zinc/07/94/83/901079483.db2.gz JRNXQDKUYUDPHQ-UHFFFAOYSA-N -1 3 385.533 3.541 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(Oc2cccnc2)c(C)c1 ZINC000844648825 901140205 /nfs/dbraw/zinc/14/02/05/901140205.db2.gz DJJSJPYWSBPHHW-SFHVURJKSA-N -1 3 392.477 3.656 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ncc(-c2ccc(C)cc2C)s1 ZINC000844663616 901150235 /nfs/dbraw/zinc/15/02/35/901150235.db2.gz MQNJTLSTMFZZLT-UHFFFAOYSA-N -1 3 377.466 3.822 20 0 GHADHM C[C@H](Oc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1)c1ccccc1 ZINC000575366108 901213060 /nfs/dbraw/zinc/21/30/60/901213060.db2.gz MTWPGCLUSHBICI-HNNXBMFYSA-N -1 3 375.428 3.521 20 0 GHADHM c1sc(C2CCCC2)nc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826513197 901377434 /nfs/dbraw/zinc/37/74/34/901377434.db2.gz DCKBLSCWAOQPQF-SFHVURJKSA-N -1 3 396.520 3.554 20 0 GHADHM c1sc(C2CCCC2)nc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826513197 901377454 /nfs/dbraw/zinc/37/74/54/901377454.db2.gz DCKBLSCWAOQPQF-SFHVURJKSA-N -1 3 396.520 3.554 20 0 GHADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000576093566 901674715 /nfs/dbraw/zinc/67/47/15/901674715.db2.gz VLDDFNPJCMWCSR-KRWDZBQOSA-N -1 3 383.391 3.788 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000333314195 901998395 /nfs/dbraw/zinc/99/83/95/901998395.db2.gz VUXICLJWMOLRGO-SMDDNHRTSA-N -1 3 377.847 3.867 20 0 GHADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cnc(Cl)c(Cl)c1 ZINC000158925299 902315415 /nfs/dbraw/zinc/31/54/15/902315415.db2.gz UOPUOAPQWQRTOL-UHFFFAOYSA-N -1 3 378.306 3.593 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144554087 902369709 /nfs/dbraw/zinc/36/97/09/902369709.db2.gz WYRKNKXQTAIPRC-QFIPXVFZSA-N -1 3 384.426 3.571 20 0 GHADHM [O-]c1cc(F)c(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1F ZINC001144651573 902559572 /nfs/dbraw/zinc/55/95/72/902559572.db2.gz WIEBMVMXLSMXMP-LJQANCHMSA-N -1 3 395.400 3.803 20 0 GHADHM O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144654473 902566953 /nfs/dbraw/zinc/56/69/53/902566953.db2.gz MIQBNVWNWPLFEN-IBGZPJMESA-N -1 3 378.444 3.751 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000846285020 902845879 /nfs/dbraw/zinc/84/58/79/902845879.db2.gz YJQQBFOCWOXIIS-UHFFFAOYSA-N -1 3 382.489 3.850 20 0 GHADHM O=C([O-])/C=C\c1ccc(OCCN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000846247476 902849417 /nfs/dbraw/zinc/84/94/17/902849417.db2.gz YDRPERUQJJVTLP-DVXTWJDWSA-N -1 3 399.462 3.748 20 0 GHADHM O=C(CCCc1ccccc1Cl)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290400820 914665333 /nfs/dbraw/zinc/66/53/33/914665333.db2.gz PUCFWIFYRKYGFI-ZDUSSCGKSA-N -1 3 390.833 3.580 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c(=O)[n-]1 ZINC000264265033 902976273 /nfs/dbraw/zinc/97/62/73/902976273.db2.gz QWPZQZVVLHINNY-UHFFFAOYSA-N -1 3 386.452 3.717 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)c3c(C)noc3C)c2)n1 ZINC000131151644 903063220 /nfs/dbraw/zinc/06/32/20/903063220.db2.gz HXXWOZDUOYGTNS-LBPRGKRZSA-N -1 3 380.448 3.736 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000577760403 903160822 /nfs/dbraw/zinc/16/08/22/903160822.db2.gz AXZAVIKELVVYKZ-SFHVURJKSA-N -1 3 378.241 3.817 20 0 GHADHM COc1ccc([C@H](Cc2ccccc2)NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000577787416 903190394 /nfs/dbraw/zinc/19/03/94/903190394.db2.gz OTDWTNVRTAAVLE-NRFANRHFSA-N -1 3 386.455 3.870 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1CO ZINC001186655627 914710980 /nfs/dbraw/zinc/71/09/80/914710980.db2.gz NKTCAMQOUHLFNS-UHFFFAOYSA-N -1 3 383.469 3.867 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000290550627 914728938 /nfs/dbraw/zinc/72/89/38/914728938.db2.gz HRBHCVHUXJFHPL-LBPRGKRZSA-N -1 3 389.761 3.901 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001147050463 903675681 /nfs/dbraw/zinc/67/56/81/903675681.db2.gz LHNMCLVIOULOFD-VXGBXAGGSA-N -1 3 377.282 3.941 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccc(-n2cccn2)c1 ZINC001148070213 903960338 /nfs/dbraw/zinc/96/03/38/903960338.db2.gz VWALPXTXVCPKSN-LBPRGKRZSA-N -1 3 386.249 3.831 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC001148112611 903977598 /nfs/dbraw/zinc/97/75/98/903977598.db2.gz ILFGUAQSZARXRC-VGSWGCGISA-N -1 3 394.471 3.723 20 0 GHADHM COc1cccc(C(=O)Nc2ccnn2-c2cccc(Br)c2)c1[O-] ZINC001148197530 903998639 /nfs/dbraw/zinc/99/86/39/903998639.db2.gz OOOTZXQASMJLGW-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186720265 914775472 /nfs/dbraw/zinc/77/54/72/914775472.db2.gz WVDARRLZYPHIIV-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001148450340 904073131 /nfs/dbraw/zinc/07/31/31/904073131.db2.gz ZCJRSJJSZYFBMR-NRFANRHFSA-N -1 3 392.499 3.646 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H]3CCCOC3)cc2)cc(=O)[n-]1 ZINC000578745824 904095109 /nfs/dbraw/zinc/09/51/09/904095109.db2.gz INNRXGXMSBCNOA-LPHOPBHVSA-N -1 3 382.464 3.581 20 0 GHADHM CCCNC(=O)c1ccccc1OC1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC001148499827 904099370 /nfs/dbraw/zinc/09/93/70/904099370.db2.gz DWXLNFHDBKEXQM-UHFFFAOYSA-N -1 3 396.487 3.524 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)ccc1[O-] ZINC001148657764 904160100 /nfs/dbraw/zinc/16/01/00/904160100.db2.gz UWECMCHHSWCSHQ-UHFFFAOYSA-N -1 3 380.425 3.675 20 0 GHADHM CC(=O)c1cc(C(=O)N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1[O-] ZINC001148663445 904164102 /nfs/dbraw/zinc/16/41/02/904164102.db2.gz ZOLFFRBNFLNJQH-HSZRJFAPSA-N -1 3 396.462 3.615 20 0 GHADHM CC(=O)c1cc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)ccc1[O-] ZINC001148669673 904165496 /nfs/dbraw/zinc/16/54/96/904165496.db2.gz ABVQFKBAMKBOOH-UHFFFAOYSA-N -1 3 398.459 3.550 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@H]3CCCc4ccccc43)cc2)n1 ZINC000579187234 904409118 /nfs/dbraw/zinc/40/91/18/904409118.db2.gz BNYMGNSQVLMSNK-FQEVSTJZSA-N -1 3 389.455 3.778 20 0 GHADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccccc1I ZINC000579407994 904572298 /nfs/dbraw/zinc/57/22/98/904572298.db2.gz SQRDTBJNIRJGJZ-HNNXBMFYSA-N -1 3 380.229 3.729 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H]1C ZINC000579510406 904663962 /nfs/dbraw/zinc/66/39/62/904663962.db2.gz RIOYOFOJRAUDJD-IUCAKERBSA-N -1 3 383.673 3.672 20 0 GHADHM COc1cc(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)cc(OC)c1[O-] ZINC000579657629 904781868 /nfs/dbraw/zinc/78/18/68/904781868.db2.gz BXLYRNWBEPMLKT-UHFFFAOYSA-N -1 3 397.393 3.965 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000826687091 904964498 /nfs/dbraw/zinc/96/44/98/904964498.db2.gz FWULJHMIHYMORK-HXUWFJFHSA-N -1 3 386.467 3.686 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001171788341 905047291 /nfs/dbraw/zinc/04/72/91/905047291.db2.gz SBXAQGRHBPFCEY-HDICACEKSA-N -1 3 381.472 3.833 20 0 GHADHM O=S(=O)([N-]c1cccc(Cl)c1Br)c1ccc(Cl)nc1 ZINC000190091093 905535717 /nfs/dbraw/zinc/53/57/17/905535717.db2.gz NSEUOSAODNRHFN-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@H]3CC3CCCC3)c(=O)c2c(OC)c1 ZINC000628027325 905896695 /nfs/dbraw/zinc/89/66/95/905896695.db2.gz RYTOIMSRDQCOEI-HNNXBMFYSA-N -1 3 384.476 3.730 20 0 GHADHM Cn1c(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc2cc(C(F)(F)F)ccc21 ZINC000901521660 921196890 /nfs/dbraw/zinc/19/68/90/921196890.db2.gz DLKNPOMBIICDPJ-ZDUSSCGKSA-N -1 3 383.414 3.915 20 0 GHADHM C[C@H]1CCCN(Cc2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)C1 ZINC000299106297 921197699 /nfs/dbraw/zinc/19/76/99/921197699.db2.gz UWCDZULBLHXPIO-ZDUSSCGKSA-N -1 3 382.489 3.881 20 0 GHADHM Cc1c2cccc(Cl)c2sc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000901524766 921202605 /nfs/dbraw/zinc/20/26/05/921202605.db2.gz NRVPBCLVSSTUEJ-UHFFFAOYSA-N -1 3 390.896 3.990 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Br)c(Cl)s2)n1 ZINC000628374811 906079274 /nfs/dbraw/zinc/07/92/74/906079274.db2.gz DTQUZMAUXJQWST-UHFFFAOYSA-N -1 3 376.707 3.993 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H](C)C1(F)F ZINC000628392382 906088779 /nfs/dbraw/zinc/08/87/79/906088779.db2.gz PJKCHHFDIHPJBY-UWVGGRQHSA-N -1 3 399.235 3.654 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc(OC)c1[O-] ZINC000628409255 906106973 /nfs/dbraw/zinc/10/69/73/906106973.db2.gz OUISJAZHOQSOGM-ZDUSSCGKSA-N -1 3 377.387 3.707 20 0 GHADHM O=C(Cc1ccc(CC(=O)NOC2CCCCC2)cc1)[N-]OC1CCCCC1 ZINC000779318148 906197582 /nfs/dbraw/zinc/19/75/82/906197582.db2.gz WHZGJVGICOTUSE-UHFFFAOYSA-N -1 3 388.508 3.533 20 0 GHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3c(Cl)cccc3Cl)CC2)n1 ZINC000365938208 921257971 /nfs/dbraw/zinc/25/79/71/921257971.db2.gz SFSMDNYMIGLJHL-UHFFFAOYSA-N -1 3 390.292 3.690 20 0 GHADHM CC1(C)CCC[C@]2(C1)NC(=O)N(Cc1ccc([O-])c(Br)c1)C2=O ZINC000629462111 906807099 /nfs/dbraw/zinc/80/70/99/906807099.db2.gz FTMQSRPLLGPZMW-QGZVFWFLSA-N -1 3 381.270 3.546 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000629498473 906833653 /nfs/dbraw/zinc/83/36/53/906833653.db2.gz LXOHJTQWHFNFRA-MNXVOIDGSA-N -1 3 387.307 3.602 20 0 GHADHM O=S(=O)(c1ccc(Nc2nc3c(cccc3[O-])s2)cc1)N1CCCC1 ZINC001174253315 906909649 /nfs/dbraw/zinc/90/96/49/906909649.db2.gz SKEMDPPCTRMYHS-UHFFFAOYSA-N -1 3 375.475 3.530 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182885816 907282439 /nfs/dbraw/zinc/28/24/39/907282439.db2.gz ZGZPDXQNWTYBNV-SCLBCKFNSA-N -1 3 385.464 3.982 20 0 GHADHM COc1cc(F)cc(OC)c1CNC[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000630450051 907284617 /nfs/dbraw/zinc/28/46/17/907284617.db2.gz AQYTXODZKMEOPN-CYBMUJFWSA-N -1 3 381.831 3.529 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC000630455881 907290235 /nfs/dbraw/zinc/29/02/35/907290235.db2.gz IDBKFXSQGODUIF-RNCFNFMXSA-N -1 3 378.694 3.849 20 0 GHADHM O=c1ccoc2ccc(Nc3ccc([O-])c(I)c3)cc12 ZINC001174945178 907305199 /nfs/dbraw/zinc/30/51/99/907305199.db2.gz GBGKMNPQJWXTHG-UHFFFAOYSA-N -1 3 379.153 3.847 20 0 GHADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1nc(Br)cs1 ZINC000191921169 907320106 /nfs/dbraw/zinc/32/01/06/907320106.db2.gz JNOWDMKIVPQHTN-UHFFFAOYSA-N -1 3 387.280 3.883 20 0 GHADHM O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001175147415 907403338 /nfs/dbraw/zinc/40/33/38/907403338.db2.gz ZPJRRCSFWGFZEN-UHFFFAOYSA-N -1 3 377.322 3.856 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)nc1Cl ZINC000183844018 907465890 /nfs/dbraw/zinc/46/58/90/907465890.db2.gz RGHXXAPQLHLDGA-QWHCGFSZSA-N -1 3 387.288 3.587 20 0 GHADHM Brc1cc(Br)c(Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001175427421 907546900 /nfs/dbraw/zinc/54/69/00/907546900.db2.gz CYXDDSQFXMZJQJ-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM FC(F)(F)c1ccc(Br)c2nc([N-]c3cnn(C4CC4)c3)nn21 ZINC001175958903 907841402 /nfs/dbraw/zinc/84/14/02/907841402.db2.gz IXFAGNLMWHEOGW-UHFFFAOYSA-N -1 3 387.163 3.786 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000186642057 907960769 /nfs/dbraw/zinc/96/07/69/907960769.db2.gz XWMHJKSXSYQTAD-VIFPVBQESA-N -1 3 385.233 3.935 20 0 GHADHM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193078393 908072156 /nfs/dbraw/zinc/07/21/56/908072156.db2.gz MPOZQGJVZSFXHI-NSHDSACASA-N -1 3 380.275 3.808 20 0 GHADHM O=C([O-])CCN(Cc1cc(OC(F)F)ccc1Br)CC1CC1 ZINC000901610542 921397170 /nfs/dbraw/zinc/39/71/70/921397170.db2.gz PNGJMYLOIHYYOH-UHFFFAOYSA-N -1 3 378.213 3.737 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176852210 908296171 /nfs/dbraw/zinc/29/61/71/908296171.db2.gz FWQVBUQGXWJQLZ-UHFFFAOYSA-N -1 3 394.258 3.678 20 0 GHADHM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)cc1 ZINC000901628862 921412610 /nfs/dbraw/zinc/41/26/10/921412610.db2.gz UQGFSAQWQWNLLG-CQSZACIVSA-N -1 3 386.539 3.550 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001177899368 908789906 /nfs/dbraw/zinc/78/99/06/908789906.db2.gz RJEKCUUKZPYRJU-UHFFFAOYSA-N -1 3 385.420 3.518 20 0 GHADHM CC[C@H](C)NC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194502871 908949167 /nfs/dbraw/zinc/94/91/67/908949167.db2.gz YGNOJVPLJZCUFI-WDEREUQCSA-N -1 3 391.518 3.954 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1 ZINC000083935124 909043950 /nfs/dbraw/zinc/04/39/50/909043950.db2.gz MGWCJCTVVCSYLX-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C([O-])CCN(Cc1cc2ccccc2nc1N1CCCCC1)C[C@H]1CCCO1 ZINC000901680991 921466598 /nfs/dbraw/zinc/46/65/98/921466598.db2.gz JNEVCGSFRUYMSX-HXUWFJFHSA-N -1 3 397.519 3.681 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCc1ccc(C)c2ccccc12 ZINC001178594834 909117034 /nfs/dbraw/zinc/11/70/34/909117034.db2.gz YFPPEPRLXZSJPM-UHFFFAOYSA-N -1 3 394.427 3.621 20 0 GHADHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cccnc1Cl ZINC000779949563 909136713 /nfs/dbraw/zinc/13/67/13/909136713.db2.gz DYXPULRQJJQUEX-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001178974682 909320903 /nfs/dbraw/zinc/32/09/03/909320903.db2.gz VXYCCHKSKKCZIM-SNVBAGLBSA-N -1 3 375.787 3.655 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2nc(-c3ccc(C)cc3)cs2)cc1OC ZINC000795209829 909328703 /nfs/dbraw/zinc/32/87/03/909328703.db2.gz PWWCKGFMQXDGIZ-UHFFFAOYSA-N -1 3 398.484 3.926 20 0 GHADHM C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179177336 909414899 /nfs/dbraw/zinc/41/48/99/909414899.db2.gz UECHYHUVYLPYLW-VIFPVBQESA-N -1 3 376.766 3.513 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Br)cc2Cl)n1 ZINC000636116033 909434645 /nfs/dbraw/zinc/43/46/45/909434645.db2.gz ZXOVQDDHLOWOFX-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1CC=CC[C@H]1c1nc3ccccc3s1)C2 ZINC000636284410 909518491 /nfs/dbraw/zinc/51/84/91/909518491.db2.gz YOZKXODVQWLWJQ-KGLIPLIRSA-N -1 3 392.484 3.693 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CC=CC[C@H]1c1nc3ccccc3s1)C2 ZINC000636284412 909518848 /nfs/dbraw/zinc/51/88/48/909518848.db2.gz YOZKXODVQWLWJQ-ZIAGYGMSSA-N -1 3 392.484 3.693 20 0 GHADHM O=C(CCCOc1ccccc1Cl)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319241 909535881 /nfs/dbraw/zinc/53/58/81/909535881.db2.gz NWULHNJLQCXFEL-UHFFFAOYSA-N -1 3 375.856 3.579 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318257 909536176 /nfs/dbraw/zinc/53/61/76/909536176.db2.gz RRXXSTCECYSTSE-OLMNPRSZSA-N -1 3 375.513 3.543 20 0 GHADHM CC(C)(CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)CC(=O)c1ccccc1 ZINC000636320949 909542100 /nfs/dbraw/zinc/54/21/00/909542100.db2.gz NXUDGWHABQKEMW-UHFFFAOYSA-N -1 3 381.476 3.755 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](c3ccccc3)CC2(C)C)c([O-])c1 ZINC001179527207 909562865 /nfs/dbraw/zinc/56/28/65/909562865.db2.gz QOVOKKWDYXOAFF-SFHVURJKSA-N -1 3 380.488 3.615 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000268144707 909778827 /nfs/dbraw/zinc/77/88/27/909778827.db2.gz UYGJJKWXZLXVPQ-CQSZACIVSA-N -1 3 383.514 3.501 20 0 GHADHM CN(C)c1cc(Cl)cc(Cl)c1CNCCc1ccc(OCC(=O)[O-])cc1 ZINC000901738439 921523197 /nfs/dbraw/zinc/52/31/97/921523197.db2.gz GZJOJFKBBMHHKX-UHFFFAOYSA-N -1 3 397.302 3.855 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(F)c(Cl)cc1F ZINC001179954157 909864966 /nfs/dbraw/zinc/86/49/66/909864966.db2.gz HFZCHFYRDCUAJZ-UHFFFAOYSA-N -1 3 391.761 3.951 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc(F)c(Cl)cc1F ZINC001179954157 909864977 /nfs/dbraw/zinc/86/49/77/909864977.db2.gz HFZCHFYRDCUAJZ-UHFFFAOYSA-N -1 3 391.761 3.951 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](Cc2ccc(OC)cc2)c2ccccc2)[n-]1 ZINC001180011079 909880892 /nfs/dbraw/zinc/88/08/92/909880892.db2.gz CSFNVSKRPGREGN-SFHVURJKSA-N -1 3 393.443 3.560 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](Cc2ccc(OC)cc2)c2ccccc2)c[n-]1 ZINC001180011079 909880901 /nfs/dbraw/zinc/88/09/01/909880901.db2.gz CSFNVSKRPGREGN-SFHVURJKSA-N -1 3 393.443 3.560 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c1Cl ZINC000269153302 910163068 /nfs/dbraw/zinc/16/30/68/910163068.db2.gz SZCUSZLDHDCKSS-ABAIWWIYSA-N -1 3 396.361 3.635 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000269150781 910163354 /nfs/dbraw/zinc/16/33/54/910163354.db2.gz RXTGYHHKHUOYIR-SNVBAGLBSA-N -1 3 398.244 3.806 20 0 GHADHM C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])CC(c2ccc(F)cc2)=NO1 ZINC001180457151 910180096 /nfs/dbraw/zinc/18/00/96/910180096.db2.gz UXJDWUCJTQOUPD-QGZVFWFLSA-N -1 3 393.212 3.816 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cncc([O-])c2)(c2ccccc2)CC1 ZINC001180731586 910338772 /nfs/dbraw/zinc/33/87/72/910338772.db2.gz VBSMJPHJNLVPDP-UHFFFAOYSA-N -1 3 397.475 3.695 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)CSCC(F)(F)F)n[n-]2)cc1 ZINC001180832210 910367901 /nfs/dbraw/zinc/36/79/01/910367901.db2.gz FCJWUWXUKLLRAU-UHFFFAOYSA-N -1 3 376.429 3.639 20 0 GHADHM Cc1csc([C@@](O)(CC(=O)Nc2ccc(Cl)cc2[O-])C(F)(F)F)n1 ZINC000270133733 910453436 /nfs/dbraw/zinc/45/34/36/910453436.db2.gz SIRZBASPPCXONL-ZDUSSCGKSA-N -1 3 380.775 3.589 20 0 GHADHM COc1ccc2[nH]c(C)c(CC(=O)Nc3ncc([O-])cc3Br)c2c1 ZINC001181195036 910605719 /nfs/dbraw/zinc/60/57/19/910605719.db2.gz QWORTNNBFFGWGJ-UHFFFAOYSA-N -1 3 390.237 3.529 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001181635441 910863859 /nfs/dbraw/zinc/86/38/59/910863859.db2.gz ZJLKBOMTJIBEBD-HIFRSBDPSA-N -1 3 394.443 3.519 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292727 910955416 /nfs/dbraw/zinc/95/54/16/910955416.db2.gz NUOWYCRLKGDNGS-VIFPVBQESA-N -1 3 378.757 3.885 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC2(CCSCC2)CC1 ZINC000640299546 910960491 /nfs/dbraw/zinc/96/04/91/910960491.db2.gz LWZYLNIPOJNACD-UHFFFAOYSA-N -1 3 396.866 3.662 20 0 GHADHM CC[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1F ZINC000640303591 910962158 /nfs/dbraw/zinc/96/21/58/910962158.db2.gz URFPSPKKSBWJPN-LBPRGKRZSA-N -1 3 378.757 3.933 20 0 GHADHM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NCc1ccn(-c2ccccc2)n1 ZINC000901842834 921628565 /nfs/dbraw/zinc/62/85/65/921628565.db2.gz LUBNAIBKUBKURT-GCJKJVERSA-N -1 3 375.472 3.925 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N=S3(=O)CCCC3)cc2)cc1C ZINC000641693374 911485877 /nfs/dbraw/zinc/48/58/77/911485877.db2.gz XEUXKMMKWPBHBS-UHFFFAOYSA-N -1 3 394.518 3.698 20 0 GHADHM COCCC1(C(=O)Nc2ncc([O-])cc2Br)CCC(F)(F)CC1 ZINC001182427504 911618554 /nfs/dbraw/zinc/61/85/54/911618554.db2.gz RUFAULXWKMRALD-UHFFFAOYSA-N -1 3 393.228 3.720 20 0 GHADHM CC(C)(O)c1nnc([N-]Cc2csc(COc3ccc(Cl)cc3)n2)o1 ZINC000283760849 911637197 /nfs/dbraw/zinc/63/71/97/911637197.db2.gz BKUSQXMDMYGZSW-UHFFFAOYSA-N -1 3 380.857 3.598 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](CC(=O)[O-])CC(C)(C)C ZINC000283773578 911643108 /nfs/dbraw/zinc/64/31/08/911643108.db2.gz CHEIKFBADMQYEK-CYBMUJFWSA-N -1 3 375.918 3.503 20 0 GHADHM Cc1coc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000284180795 911781040 /nfs/dbraw/zinc/78/10/40/911781040.db2.gz ZGMMKZPSDIZHNZ-UHFFFAOYSA-N -1 3 376.356 3.539 20 0 GHADHM CC(C)n1ncc2cc(C(=O)Nc3ccc(Br)cc3[O-])cnc21 ZINC000642323881 911980795 /nfs/dbraw/zinc/98/07/95/911980795.db2.gz YXSHXBWPBVUUKE-UHFFFAOYSA-N -1 3 375.226 3.733 20 0 GHADHM COc1cc(Br)c(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c(OC)c1 ZINC000901912685 921728315 /nfs/dbraw/zinc/72/83/15/921728315.db2.gz BYTFRSKYYGXDDG-SGTLLEGYSA-N -1 3 398.297 3.543 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cnc(OCC2CC2)nc1 ZINC001187042772 914977385 /nfs/dbraw/zinc/97/73/85/914977385.db2.gz DJAPGFATTCHFNK-UHFFFAOYSA-N -1 3 388.276 3.514 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1ccc(Cl)c2nonc21 ZINC001187047863 914981620 /nfs/dbraw/zinc/98/16/20/914981620.db2.gz FIJILLGAQQCFHG-CQSZACIVSA-N -1 3 377.853 3.696 20 0 GHADHM COc1ccc(-c2n[nH]cc2CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000901932814 921743080 /nfs/dbraw/zinc/74/30/80/921743080.db2.gz WMSGSIHRWYLYHI-UHFFFAOYSA-N -1 3 398.488 3.620 20 0 GHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(COC[C@@H]2CCOC2)no1 ZINC000647442670 915261733 /nfs/dbraw/zinc/26/17/33/915261733.db2.gz MWFQHDUUUYSAFG-MRXNPFEDSA-N -1 3 382.416 3.574 20 0 GHADHM COc1ccc(/C=C(\C)C(=O)NCc2ncccc2[O-])cc1OC1CCCC1 ZINC001187568604 915368270 /nfs/dbraw/zinc/36/82/70/915368270.db2.gz VNDYJWPYSLCQSL-NTCAYCPXSA-N -1 3 382.460 3.837 20 0 GHADHM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801854 915392077 /nfs/dbraw/zinc/39/20/77/915392077.db2.gz YJLRNHVNYIPYBC-UHFFFAOYSA-N -1 3 389.411 3.865 20 0 GHADHM Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803149 915392117 /nfs/dbraw/zinc/39/21/17/915392117.db2.gz FIULWONNBDKDEF-UHFFFAOYSA-N -1 3 382.401 3.736 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)nc1Cl ZINC001187979885 915659850 /nfs/dbraw/zinc/65/98/50/915659850.db2.gz BXWAVUDMJLRWBF-GHMZBOCLSA-N -1 3 377.680 3.876 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1F)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188447649 915973578 /nfs/dbraw/zinc/97/35/78/915973578.db2.gz GWKHWFLLJZNYLJ-UHFFFAOYSA-N -1 3 375.396 3.925 20 0 GHADHM CCc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])cc2s1 ZINC000649029354 915997918 /nfs/dbraw/zinc/99/79/18/915997918.db2.gz JEBUVSNQGZWWKZ-INIZCTEOSA-N -1 3 395.484 3.808 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000360262105 916030928 /nfs/dbraw/zinc/03/09/28/916030928.db2.gz PHHRYISXWIUSQM-UHFFFAOYSA-N -1 3 398.850 3.786 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccsc21 ZINC001188655526 916080076 /nfs/dbraw/zinc/08/00/76/916080076.db2.gz QGVZQXWAQRVZQD-CQSZACIVSA-N -1 3 388.489 3.984 20 0 GHADHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c[nH]c2ncc(Cl)cc12)C(F)(F)F ZINC001188697409 916120469 /nfs/dbraw/zinc/12/04/69/916120469.db2.gz CVCHAFQQLHSTSS-LLVKDONJSA-N -1 3 383.823 3.862 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC001188828084 916236095 /nfs/dbraw/zinc/23/60/95/916236095.db2.gz XONZHAJHCDOFRC-UHFFFAOYSA-N -1 3 398.415 3.886 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC001188856629 916260912 /nfs/dbraw/zinc/26/09/12/916260912.db2.gz AHCDXFFRRMVALY-KGLIPLIRSA-N -1 3 386.926 3.699 20 0 GHADHM Cc1ccncc1S(=O)(=O)[N-]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000649627951 916274380 /nfs/dbraw/zinc/27/43/80/916274380.db2.gz POQGZKJMNBBZNJ-NXEZZACHSA-N -1 3 390.349 3.578 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(F)c(Br)c(F)c1 ZINC001189009426 916337014 /nfs/dbraw/zinc/33/70/14/916337014.db2.gz IDXPUMGSGZDIMO-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM O=S(=O)([N-]c1cccc(CO)c1F)c1ccc(Br)c(Cl)c1 ZINC001189163985 916409531 /nfs/dbraw/zinc/40/95/31/916409531.db2.gz FZMYVNWHZZJNLL-UHFFFAOYSA-N -1 3 394.649 3.535 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCC(F)(F)CC3)cc2)c1 ZINC001189234962 916483901 /nfs/dbraw/zinc/48/39/01/916483901.db2.gz FZBRYNXUFWXLHD-UHFFFAOYSA-N -1 3 394.443 3.926 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@H]1CF ZINC000293973499 916506823 /nfs/dbraw/zinc/50/68/23/916506823.db2.gz FYYMNNZUIKNEOP-AWEZNQCLSA-N -1 3 394.443 3.509 20 0 GHADHM Cc1cc(C(=O)Nc2ncc([O-])cc2Br)c(-n2cccc2)s1 ZINC001189303056 916511078 /nfs/dbraw/zinc/51/10/78/916511078.db2.gz RVSQGVLQCUDCDO-UHFFFAOYSA-N -1 3 378.251 3.963 20 0 GHADHM O=S(=O)([N-]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cscn1 ZINC001189263082 916522584 /nfs/dbraw/zinc/52/25/84/916522584.db2.gz SFDBQTVYFZETRH-UHFFFAOYSA-N -1 3 396.843 3.825 20 0 GHADHM CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001189477344 916644882 /nfs/dbraw/zinc/64/48/82/916644882.db2.gz JQTJABRODWTGQH-UHFFFAOYSA-N -1 3 390.386 3.607 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc(OC(F)(F)F)cc1F ZINC001189688503 916807729 /nfs/dbraw/zinc/80/77/29/916807729.db2.gz MDGOEEPMMRISKD-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc(Cl)nc(C(F)(F)F)c1 ZINC001189650836 916812158 /nfs/dbraw/zinc/81/21/58/916812158.db2.gz GOQBHRMAFPSLJN-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CSc1nccc([N-]C(=O)c2sc(Br)nc2C(F)(F)F)n1 ZINC001189656874 916817605 /nfs/dbraw/zinc/81/76/05/916817605.db2.gz SLTAMYQEDPLXLG-UHFFFAOYSA-N -1 3 399.217 3.689 20 0 GHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001189755213 916881069 /nfs/dbraw/zinc/88/10/69/916881069.db2.gz LNPPCQGJZMFHCW-KBMXLJTQSA-N -1 3 399.409 3.958 20 0 GHADHM COc1ccc(-n2cc(C(=O)Nc3cc(Br)ccc3[O-])cn2)cc1 ZINC001189731175 916889933 /nfs/dbraw/zinc/88/99/33/916889933.db2.gz TXQDPNVRJNXQEO-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM CN1c2cc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])ccc2C(C)(C)C1=O ZINC001189766033 916901857 /nfs/dbraw/zinc/90/18/57/916901857.db2.gz ICDDYINMNJXHDP-UHFFFAOYSA-N -1 3 394.349 3.797 20 0 GHADHM Cc1ccn2cc(CN(C)C(=O)c3cccc(OC(F)(F)F)c3[O-])nc2c1 ZINC001189766494 916902041 /nfs/dbraw/zinc/90/20/41/916902041.db2.gz KFBCKDFDGIVOEZ-UHFFFAOYSA-N -1 3 379.338 3.519 20 0 GHADHM CN(C(=O)CN1CCCC[C@H]1CC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000650505011 917040394 /nfs/dbraw/zinc/04/03/94/917040394.db2.gz MWCVCANMZXFLKK-REWPJTCUSA-N -1 3 398.478 3.703 20 0 GHADHM COc1cc([O-])c(C(=O)N[C@H]2CC[C@@H](OCc3ccccc3)CC2)c(OC)c1 ZINC001190149249 917129311 /nfs/dbraw/zinc/12/93/11/917129311.db2.gz VVSJWXCKFHABBX-CALCHBBNSA-N -1 3 385.460 3.667 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)CCC1CCCC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001190199343 917194067 /nfs/dbraw/zinc/19/40/67/917194067.db2.gz RVEGUAQNTJNQAL-SFHVURJKSA-N -1 3 387.929 3.618 20 0 GHADHM O=S(=O)([N-]Cc1cncc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC001190351055 917279742 /nfs/dbraw/zinc/27/97/42/917279742.db2.gz ZVHKWPMGKBCYNF-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000295555341 917355161 /nfs/dbraw/zinc/35/51/61/917355161.db2.gz JIYGDEPQXDIVRG-HUUCEWRRSA-N -1 3 399.491 3.706 20 0 GHADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001190465505 917361848 /nfs/dbraw/zinc/36/18/48/917361848.db2.gz NFQHLFKOHWTCKH-JTQLQIEISA-N -1 3 381.723 3.911 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1ccc2ccccc2c1 ZINC001190524883 917382806 /nfs/dbraw/zinc/38/28/06/917382806.db2.gz IJVFYRZAUCMMFG-OAQYLSRUSA-N -1 3 395.480 3.910 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1csc(-c2ccccc2)n1 ZINC001190620217 917424894 /nfs/dbraw/zinc/42/48/94/917424894.db2.gz CNVLXOBVGTUBQZ-CQSZACIVSA-N -1 3 388.539 3.978 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000295694038 917426759 /nfs/dbraw/zinc/42/67/59/917426759.db2.gz JTCCQKLPAMDUET-SJLPKXTDSA-N -1 3 382.508 3.818 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(C)cc21 ZINC001190609940 917445998 /nfs/dbraw/zinc/44/59/98/917445998.db2.gz ZQSAFLSHWRGDCQ-QGZVFWFLSA-N -1 3 393.892 3.791 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cnc(Cl)c(F)c1 ZINC000383984026 917448470 /nfs/dbraw/zinc/44/84/70/917448470.db2.gz HMUFSXHONRLJMD-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC001190671108 917459305 /nfs/dbraw/zinc/45/93/05/917459305.db2.gz HQCYCHLGELPVCP-MRXNPFEDSA-N -1 3 394.990 3.639 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1C(F)(F)F ZINC000121385563 917610753 /nfs/dbraw/zinc/61/07/53/917610753.db2.gz UCEVZAIEEDNQDM-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(C)CCCCC1 ZINC001190937910 917650025 /nfs/dbraw/zinc/65/00/25/917650025.db2.gz JSHPYTYRPDLAJR-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)c1ccc(=O)[n-]c1Cl ZINC001190918641 917661736 /nfs/dbraw/zinc/66/17/36/917661736.db2.gz ZHTFLSIVZZZJHA-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363170052 917859500 /nfs/dbraw/zinc/85/95/00/917859500.db2.gz BTRUEORPOYUZLQ-NSHDSACASA-N -1 3 395.912 3.717 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC001191404529 917961268 /nfs/dbraw/zinc/96/12/68/917961268.db2.gz ALOCVODUXUWICS-UHFFFAOYSA-N -1 3 387.285 3.511 20 0 GHADHM COc1ccc(-c2nnsc2[N-]C(=O)c2nc(C)oc2Br)cc1 ZINC001191621704 918081446 /nfs/dbraw/zinc/08/14/46/918081446.db2.gz JBEAMNRIILJIAC-UHFFFAOYSA-N -1 3 395.238 3.525 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccn(C(C)C)c2=O)c1Cl ZINC001191776752 918182371 /nfs/dbraw/zinc/18/23/71/918182371.db2.gz MLAWPLFBPQJPGB-UHFFFAOYSA-N -1 3 375.277 3.845 20 0 GHADHM Cc1ccccc1SC[C@@H](C)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001191789784 918221323 /nfs/dbraw/zinc/22/13/23/918221323.db2.gz NSVJLYWGXXTXSH-KRWDZBQOSA-N -1 3 384.545 3.887 20 0 GHADHM COc1ccccc1O[C@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000796564449 918243139 /nfs/dbraw/zinc/24/31/39/918243139.db2.gz FLLAXBLRYYOMTC-KRWDZBQOSA-N -1 3 381.428 3.551 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C1CCCCCC1 ZINC001191896652 918286694 /nfs/dbraw/zinc/28/66/94/918286694.db2.gz OOGUIPRMDCZCPL-LJQANCHMSA-N -1 3 381.538 3.625 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCOc4cc(OC)ccc43)nc2)n1 ZINC000363557621 918416096 /nfs/dbraw/zinc/41/60/96/918416096.db2.gz NAXAAAQBDWDQAW-KRWDZBQOSA-N -1 3 378.432 3.751 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H](C)CCC=C(C)C)c2)n1 ZINC000296637301 918524564 /nfs/dbraw/zinc/52/45/64/918524564.db2.gz YSOZQYDFWDBHRU-HNNXBMFYSA-N -1 3 396.491 3.601 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cnc(Cl)cc3Cl)c2)o1 ZINC001192226778 918552102 /nfs/dbraw/zinc/55/21/02/918552102.db2.gz JICCRPQMUWKCPL-UHFFFAOYSA-N -1 3 385.232 3.548 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(C2CC2)c1 ZINC000297224704 919160080 /nfs/dbraw/zinc/16/00/80/919160080.db2.gz PUPKHCIGVGPNDK-CYBMUJFWSA-N -1 3 397.441 3.725 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016589993 919439741 /nfs/dbraw/zinc/43/97/41/919439741.db2.gz YEMFFSLEUPTVJJ-UHFFFAOYSA-N -1 3 394.471 3.966 20 0 GHADHM COCc1cccc(OCC2(COC(=O)c3cc(F)cc4[n-]nnc43)CCC2)c1 ZINC000800258321 919796549 /nfs/dbraw/zinc/79/65/49/919796549.db2.gz UCXNTIPHZQAMKT-UHFFFAOYSA-N -1 3 399.422 3.650 20 0 GHADHM COCc1cccc(OCC2(COC(=O)c3cc(F)cc4nn[n-]c43)CCC2)c1 ZINC000800258321 919796558 /nfs/dbraw/zinc/79/65/58/919796558.db2.gz UCXNTIPHZQAMKT-UHFFFAOYSA-N -1 3 399.422 3.650 20 0 GHADHM COCc1cccc(OCC2(COC(=O)c3cc(F)cc4n[n-]nc43)CCC2)c1 ZINC000800258321 919796567 /nfs/dbraw/zinc/79/65/67/919796567.db2.gz UCXNTIPHZQAMKT-UHFFFAOYSA-N -1 3 399.422 3.650 20 0 GHADHM CCOc1cccc(F)c1CN[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000900084895 919824605 /nfs/dbraw/zinc/82/46/05/919824605.db2.gz XNWLOMDWJLECNO-GFCCVEGCSA-N -1 3 385.357 3.817 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1OC ZINC000364686498 919839417 /nfs/dbraw/zinc/83/94/17/919839417.db2.gz PGLVIKOIEACFOU-LIRRHRJNSA-N -1 3 395.525 3.501 20 0 GHADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000297893438 919932214 /nfs/dbraw/zinc/93/22/14/919932214.db2.gz VSIYZWYKMLQGOQ-UHFFFAOYSA-N -1 3 393.412 3.711 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(NC4CC4)s3)c2)n1 ZINC000900237948 920046008 /nfs/dbraw/zinc/04/60/08/920046008.db2.gz UPEMVUBSXBCSIA-UHFFFAOYSA-N -1 3 381.461 3.695 20 0 GHADHM CSc1ccccc1[C@H](C)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000800414325 920047174 /nfs/dbraw/zinc/04/71/74/920047174.db2.gz YGOBEIFGJCFXKM-NSHDSACASA-N -1 3 383.466 3.837 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](COCc4ccccc4)C3)nc2)n1 ZINC000364828453 920058095 /nfs/dbraw/zinc/05/80/95/920058095.db2.gz DRUXEGATFSUCKV-SFHVURJKSA-N -1 3 390.487 3.850 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000900526713 920371007 /nfs/dbraw/zinc/37/10/07/920371007.db2.gz JYHNBYBQYQVUNJ-HNNXBMFYSA-N -1 3 394.258 3.580 20 0 GHADHM COc1ccc(CCS(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)cc1 ZINC000800785387 920460213 /nfs/dbraw/zinc/46/02/13/920460213.db2.gz HORMGBWBVKMQNL-UHFFFAOYSA-N -1 3 386.448 3.881 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C)nc2Cl)c1 ZINC000800839055 920515375 /nfs/dbraw/zinc/51/53/75/920515375.db2.gz WRIURCMDPRIDSZ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOc1cc(CNc2cccc(C[S@](=O)CCOC)c2)cc(Cl)c1[O-] ZINC000298461142 920562186 /nfs/dbraw/zinc/56/21/86/920562186.db2.gz OILOSHZBKUGMMA-AREMUKBSSA-N -1 3 397.924 3.952 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)o1 ZINC000800901514 920581807 /nfs/dbraw/zinc/58/18/07/920581807.db2.gz UUJIWGSMXOWBTC-MFKMUULPSA-N -1 3 379.865 3.664 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nccs1 ZINC000800917414 920597797 /nfs/dbraw/zinc/59/77/97/920597797.db2.gz VHSXGJFNLBBWGC-MRXNPFEDSA-N -1 3 384.910 3.529 20 0 GHADHM CCCCNC(=O)C1CCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC000901430986 921100057 /nfs/dbraw/zinc/10/00/57/921100057.db2.gz YJXWLVVQZLVBJX-UHFFFAOYSA-N -1 3 384.476 3.773 20 0 GHADHM Cc1ccc2oc(-c3nnc([N-]Cc4ncc(C5OCCO5)s4)o3)cc2c1 ZINC000902100614 921877957 /nfs/dbraw/zinc/87/79/57/921877957.db2.gz PAUUPXNDRZCHST-UHFFFAOYSA-N -1 3 384.417 3.905 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](c2nnc([N-]Cc3nccc4ccccc43)o2)C1 ZINC000902148149 921922886 /nfs/dbraw/zinc/92/28/86/921922886.db2.gz JFUMUWPGBOJYSS-HNNXBMFYSA-N -1 3 395.463 3.954 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](c2nnc([N-]Cc3csc(C4CC4)n3)o2)C1 ZINC000902149328 921926633 /nfs/dbraw/zinc/92/66/33/921926633.db2.gz NZBOEEZQQMULQQ-LBPRGKRZSA-N -1 3 391.497 3.740 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000902201199 921979810 /nfs/dbraw/zinc/97/98/10/921979810.db2.gz UVZRIMCUASGSJR-GOSISDBHSA-N -1 3 393.434 3.743 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000902226179 922006281 /nfs/dbraw/zinc/00/62/81/922006281.db2.gz MNZODJBNBHDATD-UHFFFAOYSA-N -1 3 393.443 3.580 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@H](CO[N-]C(=O)Cc2cccc3ccccc32)C1 ZINC000902252413 922031060 /nfs/dbraw/zinc/03/10/60/922031060.db2.gz FPNCCDIXOYSIOK-KRWDZBQOSA-N -1 3 382.504 3.715 20 0 GHADHM CCc1oc(CNC[C@H](C)Oc2ccccc2Br)cc1C(=O)[O-] ZINC000902315621 922081180 /nfs/dbraw/zinc/08/11/80/922081180.db2.gz FIGWSRQXDLLZPW-NSHDSACASA-N -1 3 382.254 3.860 20 0 GHADHM COc1cccc([C@@]2(C)CCN(Cc3cn(-c4ccccc4)nc3C(=O)[O-])C2)c1 ZINC000902481827 922228801 /nfs/dbraw/zinc/22/88/01/922228801.db2.gz SMPVGHIBJVRUJW-QHCPKHFHSA-N -1 3 391.471 3.743 20 0 GHADHM Cc1cc(Br)c(OCC(=O)[O-])c(CNC[C@@H]2C(C)(C)C2(F)F)c1 ZINC000902482280 922229253 /nfs/dbraw/zinc/22/92/53/922229253.db2.gz ZCDKRHJVUUBHBK-GFCCVEGCSA-N -1 3 392.240 3.602 20 0 GHADHM Cc1cc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc(C)c1OCC(=O)[O-] ZINC000902550335 922272456 /nfs/dbraw/zinc/27/24/56/922272456.db2.gz YUHIKTRLMTUAEI-MRXNPFEDSA-N -1 3 375.362 3.633 20 0 GHADHM COc1ccc(NCc2c(Cl)ccc3cccnc32)cc1[N-]S(C)(=O)=O ZINC000802640701 922282367 /nfs/dbraw/zinc/28/23/67/922282367.db2.gz RSNVLPCHHPEFTG-UHFFFAOYSA-N -1 3 391.880 3.880 20 0 GHADHM COc1ccc([N-]S(=O)(=O)/C=C\c2ccccc2F)c(C(F)(F)F)n1 ZINC000802757142 922385229 /nfs/dbraw/zinc/38/52/29/922385229.db2.gz SANFDGRXUKYILB-HJWRWDBZSA-N -1 3 376.331 3.661 20 0 GHADHM CC[C@H](C[C@H](C)CO)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902886262 922579804 /nfs/dbraw/zinc/57/98/04/922579804.db2.gz RPAIVKGKCUFXPE-WCBMZHEXSA-N -1 3 388.764 3.759 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@H]3OCCc4sccc43)nc2)n1 ZINC000368304295 922585856 /nfs/dbraw/zinc/58/58/56/922585856.db2.gz LQBCMXOHAIKMOH-HXPMCKFVSA-N -1 3 382.489 3.983 20 0 GHADHM CC(C)(CCCO)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902918144 922602249 /nfs/dbraw/zinc/60/22/49/922602249.db2.gz KVZKJCRRZDUCHT-UHFFFAOYSA-N -1 3 388.764 3.761 20 0 GHADHM C[C@@H]1COCC[C@@H]1C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902935750 922617108 /nfs/dbraw/zinc/61/71/08/922617108.db2.gz VPPVFDOQKUFVQI-RKDXNWHRSA-N -1 3 386.748 3.634 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000803120518 922714250 /nfs/dbraw/zinc/71/42/50/922714250.db2.gz AZDGZUNJYFQJQT-UHFFFAOYSA-N -1 3 397.360 3.969 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c(F)c1F ZINC000903115049 922785277 /nfs/dbraw/zinc/78/52/77/922785277.db2.gz KWENJNKDUDOKOI-LBPRGKRZSA-N -1 3 390.210 3.632 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000903594615 923113130 /nfs/dbraw/zinc/11/31/30/923113130.db2.gz HDGBAHFBEGKPCH-FQEVSTJZSA-N -1 3 389.879 3.992 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cs2)cc1OC ZINC000903612332 923127013 /nfs/dbraw/zinc/12/70/13/923127013.db2.gz AETFONDVIMLHFQ-XOBRGWDASA-N -1 3 388.489 3.514 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618696 923131287 /nfs/dbraw/zinc/13/12/87/923131287.db2.gz KOCFNUQIZDYQPA-OAQYLSRUSA-N -1 3 397.515 3.789 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CCC[C@H](Cc2nccs2)C1 ZINC000903631593 923140081 /nfs/dbraw/zinc/14/00/81/923140081.db2.gz OXPFBOKLPDATML-MLGOLLRUSA-N -1 3 395.322 3.986 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000903631331 923140317 /nfs/dbraw/zinc/14/03/17/923140317.db2.gz MRJJGPJBFPPIAK-BLLLJJGKSA-N -1 3 395.322 3.986 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC[C@@H](Cc3nccs3)C2)c(Cl)c1 ZINC000903632136 923141899 /nfs/dbraw/zinc/14/18/99/923141899.db2.gz UAMAGCCQGAKFJY-ZDUSSCGKSA-N -1 3 380.897 3.828 20 0 GHADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903632174 923141991 /nfs/dbraw/zinc/14/19/91/923141991.db2.gz VAUMEGNMWIWWDO-QGZVFWFLSA-N -1 3 398.356 3.909 20 0 GHADHM CC[C@@](O)(C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1cccc(Cl)c1 ZINC000369213678 923210055 /nfs/dbraw/zinc/21/00/55/923210055.db2.gz ICOUQYXYBLXQFZ-NRFANRHFSA-N -1 3 397.862 3.635 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000369451813 923347226 /nfs/dbraw/zinc/34/72/26/923347226.db2.gz LNSNMZAYCCJXLQ-UHFFFAOYSA-N -1 3 386.373 3.862 20 0 GHADHM O=C([O-])[C@H](CCc1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000903898347 923378688 /nfs/dbraw/zinc/37/86/88/923378688.db2.gz PHEYWNLNODVSAM-RBUKOAKNSA-N -1 3 391.414 3.747 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(=O)[n-]1 ZINC000369927817 923746937 /nfs/dbraw/zinc/74/69/37/923746937.db2.gz OLYBCPWBKWWMCI-AWEZNQCLSA-N -1 3 376.460 3.671 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cccc4c3CCCC4)cc2)no1 ZINC000748642231 923769713 /nfs/dbraw/zinc/76/97/13/923769713.db2.gz AOUOOAZESZJAEM-UHFFFAOYSA-N -1 3 399.472 3.637 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cccc(Br)c2[O-])c(F)cc1F ZINC000748893834 923901993 /nfs/dbraw/zinc/90/19/93/923901993.db2.gz MGVSYAPBCXOBOG-UHFFFAOYSA-N -1 3 385.160 3.781 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(C)c1 ZINC000749155496 924052683 /nfs/dbraw/zinc/05/26/83/924052683.db2.gz VLFVSOBQLIYQDB-UHFFFAOYSA-N -1 3 378.469 3.934 20 0 GHADHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000749155115 924053322 /nfs/dbraw/zinc/05/33/22/924053322.db2.gz SUHFPQPWSCMELB-MDWZMJQESA-N -1 3 389.473 3.771 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(C)=O)c(F)c3)c2)n1 ZINC000370489220 924124260 /nfs/dbraw/zinc/12/42/60/924124260.db2.gz AGCYIHPJVLWAJK-UHFFFAOYSA-N -1 3 394.406 3.761 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001137281885 924209545 /nfs/dbraw/zinc/20/95/45/924209545.db2.gz QSFGYDHAEVBSLS-IBGZPJMESA-N -1 3 381.472 3.929 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H]1COc2ccccc21 ZINC000677244010 924297016 /nfs/dbraw/zinc/29/70/16/924297016.db2.gz XPWLTOXVSFREOY-BBRMVZONSA-N -1 3 386.498 3.653 20 0 GHADHM O=c1c2ccccc2nc(SCc2noc(-c3ccccc3[O-])n2)n1C1CC1 ZINC000371458128 924592379 /nfs/dbraw/zinc/59/23/79/924592379.db2.gz ZKKZIEUMFFVHMR-UHFFFAOYSA-N -1 3 392.440 3.779 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1OCC(=O)NC ZINC000678306399 924716650 /nfs/dbraw/zinc/71/66/50/924716650.db2.gz FNAOYAVQPRUULB-GOSISDBHSA-N -1 3 384.476 3.522 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000678314131 924720915 /nfs/dbraw/zinc/72/09/15/924720915.db2.gz PVUILEYSQUENGJ-FZKQIMNGSA-N -1 3 379.378 3.775 20 0 GHADHM CC(C)c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)n(-c2ncccn2)n1 ZINC000682498000 926139720 /nfs/dbraw/zinc/13/97/20/926139720.db2.gz AKHSCOAJHRFBPE-UHFFFAOYSA-N -1 3 383.427 3.592 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](Cc2nccn2C)c2ccccc2)sc1Cl ZINC000682730364 926222112 /nfs/dbraw/zinc/22/21/12/926222112.db2.gz ZDDJHQQLOLXBLL-CQSZACIVSA-N -1 3 395.937 3.706 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)[C@H](CO)C(C)(C)C ZINC000411399803 926365067 /nfs/dbraw/zinc/36/50/67/926365067.db2.gz MJCCOELCGJOGMC-MRXNPFEDSA-N -1 3 389.496 3.630 20 0 GHADHM O=C(NCc1cccnc1-n1ccnc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725882674 926478187 /nfs/dbraw/zinc/47/81/87/926478187.db2.gz NCFPGKUDTBWRBM-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM COc1ccc([C@@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000725884289 926479016 /nfs/dbraw/zinc/47/90/16/926479016.db2.gz PRGMAIYLGROUIR-QHCPKHFHSA-N -1 3 391.467 3.649 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2c(Cl)ccc3cccnc32)c([O-])c1 ZINC000726205270 926587395 /nfs/dbraw/zinc/58/73/95/926587395.db2.gz ZMKBTMZLSYDWDK-UHFFFAOYSA-N -1 3 398.846 3.766 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)nc2)n1 ZINC000373980003 926617584 /nfs/dbraw/zinc/61/75/84/926617584.db2.gz AIMPMGHACLHIHS-WQANXHIZSA-N -1 3 382.508 3.573 20 0 GHADHM CCOC(=O)N(C)C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000726983128 926972084 /nfs/dbraw/zinc/97/20/84/926972084.db2.gz KPYRVMVPIYRQAH-UHFFFAOYSA-N -1 3 396.487 3.676 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC(C)(C)C[C@@H]3C)nc(=O)c2c1C ZINC000412035574 927030184 /nfs/dbraw/zinc/03/01/84/927030184.db2.gz GBEXQGJNWZPERN-JQWIXIFHSA-N -1 3 377.510 3.651 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cc2c(s1)CCC2 ZINC000749326008 927053008 /nfs/dbraw/zinc/05/30/08/927053008.db2.gz WHJPMKXZLOTAKW-UHFFFAOYSA-N -1 3 385.226 3.799 20 0 GHADHM COc1cc(CCC(=O)[N-]OCc2ccccc2)ccc1OCC(F)(F)F ZINC000749838262 927304926 /nfs/dbraw/zinc/30/49/26/927304926.db2.gz MKEMUBHWVKDQEG-UHFFFAOYSA-N -1 3 383.366 3.817 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)cc1[O-] ZINC000412383668 927395269 /nfs/dbraw/zinc/39/52/69/927395269.db2.gz YZOHLQBJIKJCOA-HNNXBMFYSA-N -1 3 388.261 3.987 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)cc1[O-] ZINC000412398399 927409042 /nfs/dbraw/zinc/40/90/42/927409042.db2.gz XUCYOMRBUFCORQ-UHFFFAOYSA-N -1 3 386.473 3.589 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccccc1C(F)(F)F)c1cc(F)ccc1Cl ZINC000751263320 928100366 /nfs/dbraw/zinc/10/03/66/928100366.db2.gz NMGCFWOYGOLOMW-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000751394873 928169598 /nfs/dbraw/zinc/16/95/98/928169598.db2.gz YQZWHOCFDAMTHL-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C)o1 ZINC000751445376 928196877 /nfs/dbraw/zinc/19/68/77/928196877.db2.gz GQDNBABLTNHMOC-INIZCTEOSA-N -1 3 392.304 3.698 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1nc(C2CCCCC2)no1 ZINC000752008422 928547984 /nfs/dbraw/zinc/54/79/84/928547984.db2.gz VKIWENAQFALYEV-LBPRGKRZSA-N -1 3 393.390 3.779 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)CC[C@@H]4CCCO4)nc(=O)c3s2)cc1 ZINC000467132550 928736968 /nfs/dbraw/zinc/73/69/68/928736968.db2.gz XECVVTHJTDEFIL-INIZCTEOSA-N -1 3 399.516 3.661 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)c(=O)[n-]1 ZINC000544125629 928836905 /nfs/dbraw/zinc/83/69/05/928836905.db2.gz NEBWNYJDVCDKFK-CYBMUJFWSA-N -1 3 396.422 3.982 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c(=O)[n-]1 ZINC000544221028 928946994 /nfs/dbraw/zinc/94/69/94/928946994.db2.gz MAXZFSOJULFJNG-AUUYWEPGSA-N -1 3 384.480 3.908 20 0 GHADHM C[C@H]1CCCC[C@@H]1c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000544757845 929544134 /nfs/dbraw/zinc/54/41/34/929544134.db2.gz OCKQAVAQTJSVLW-FZMZJTMJSA-N -1 3 379.457 3.610 20 0 GHADHM Cc1nc(-c2cccc(-c3noc(Cc4c(C)nc(C)[n-]c4=O)n3)c2)cs1 ZINC000544779995 929578055 /nfs/dbraw/zinc/57/80/55/929578055.db2.gz ACOIGRKYOHSVSN-UHFFFAOYSA-N -1 3 379.445 3.872 20 0 GHADHM Cc1ccc(-c2cnc(NC(=O)CNC(=O)c3ccc([O-])cc3)s2)c(C)c1 ZINC000546014273 929773641 /nfs/dbraw/zinc/77/36/41/929773641.db2.gz JWFKSKBBCXOZBY-UHFFFAOYSA-N -1 3 381.457 3.501 20 0 GHADHM O=C(O[C@H]1Cc2ccccc2C1=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757724140 929782880 /nfs/dbraw/zinc/78/28/80/929782880.db2.gz AJLCZIZGRBUSGJ-AWEZNQCLSA-N -1 3 397.228 3.804 20 0 GHADHM CN(C)c1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2n1 ZINC000469414204 929864445 /nfs/dbraw/zinc/86/44/45/929864445.db2.gz OOSBHECTSLXGSZ-UHFFFAOYSA-N -1 3 381.451 3.785 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469505488 929950059 /nfs/dbraw/zinc/95/00/59/929950059.db2.gz UCIFSYFJIXWQBB-MRVPVSSYSA-N -1 3 383.673 3.815 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3sc(N)nc3C3CC3)nc(=O)c2c1C ZINC000758532954 930073693 /nfs/dbraw/zinc/07/36/93/930073693.db2.gz MYBLAKVIBDBVMT-ZETCQYMHSA-N -1 3 390.490 3.848 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469800047 930168223 /nfs/dbraw/zinc/16/82/23/930168223.db2.gz QHIYQAWBODTSRH-SZNDQCEHSA-N -1 3 375.440 3.755 20 0 GHADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000759115744 930278747 /nfs/dbraw/zinc/27/87/47/930278747.db2.gz HCOKWXLDRHTDKP-VBEHJTROSA-N -1 3 380.419 3.576 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)n1 ZINC000759606200 930423018 /nfs/dbraw/zinc/42/30/18/930423018.db2.gz VDWKMZVUPWGYGI-GFCCVEGCSA-N -1 3 384.509 3.614 20 0 GHADHM COC(=O)c1ccccc1CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000759650401 930438841 /nfs/dbraw/zinc/43/88/41/930438841.db2.gz KYFXXCLRTGQFMZ-UHFFFAOYSA-N -1 3 381.350 3.673 20 0 GHADHM CC(C)S[C@H]1CCCC[C@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000781492551 930497862 /nfs/dbraw/zinc/49/78/62/930497862.db2.gz PIWVICCTTZLCIW-CVEARBPZSA-N -1 3 389.514 3.807 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC(C3CC3)C3CC3)cs2)c1 ZINC000546935188 930542787 /nfs/dbraw/zinc/54/27/87/930542787.db2.gz DVEVAWRZTRLWPC-UHFFFAOYSA-N -1 3 399.516 3.504 20 0 GHADHM Cc1cc(C)cc(-n2ncc(C[N-]c3nnc([C@H]4Cc5ccccc5O4)o3)n2)c1 ZINC000781103972 930700684 /nfs/dbraw/zinc/70/06/84/930700684.db2.gz HJYABZAODACQRP-LJQANCHMSA-N -1 3 388.431 3.555 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H]3CC[C@@H](C)C3)c2)c1 ZINC000781608449 930903888 /nfs/dbraw/zinc/90/38/88/930903888.db2.gz QSUQYCRGWPBJBG-HIFRSBDPSA-N -1 3 398.459 3.580 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC4(CCC4)C3)nc(=O)c2c1C ZINC000470871042 930984466 /nfs/dbraw/zinc/98/44/66/930984466.db2.gz AMVJIRUVQSKUMY-CYBMUJFWSA-N -1 3 389.521 3.797 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)c1nc([C@@H](F)c2ccc(Cl)cc2)no1 ZINC000924053434 931183526 /nfs/dbraw/zinc/18/35/26/931183526.db2.gz IDUKKDDROINBSN-UONOGXRCSA-N -1 3 387.864 3.561 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c(C)c1F ZINC000782911498 931364401 /nfs/dbraw/zinc/36/44/01/931364401.db2.gz ZZMPABFESQDJTI-UHFFFAOYSA-N -1 3 379.240 3.833 20 0 GHADHM Cc1cccn2cc(-c3ccc(NC(=O)c4cc(=O)[n-]c(C5CC5)n4)cc3)nc12 ZINC000557541723 931531722 /nfs/dbraw/zinc/53/17/22/931531722.db2.gz YIPZUSXGZBRDBD-UHFFFAOYSA-N -1 3 385.427 3.935 20 0 GHADHM CCN(CC)[C@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000783584550 931589172 /nfs/dbraw/zinc/58/91/72/931589172.db2.gz AJIZUROBINVMIH-IBGZPJMESA-N -1 3 381.432 3.569 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000697592819 931687048 /nfs/dbraw/zinc/68/70/48/931687048.db2.gz VHWYUZALILJQKP-LBPRGKRZSA-N -1 3 392.887 3.711 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccnc1C(F)(F)F ZINC000557847824 931719699 /nfs/dbraw/zinc/71/96/99/931719699.db2.gz WTHVVRBNUZFHFK-HUUCEWRRSA-N -1 3 384.423 3.790 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](F)C(C)C)ccc2C)cc1 ZINC000784145030 931797413 /nfs/dbraw/zinc/79/74/13/931797413.db2.gz LMTSFIDAKWMWPO-SFHVURJKSA-N -1 3 394.468 3.737 20 0 GHADHM COc1ccc(CCN(CC(C)C)C(=O)N=c2cc3ccccn3[n-]2)cc1OC ZINC000558466972 932018393 /nfs/dbraw/zinc/01/83/93/932018393.db2.gz HZHPTYNZXQOHHG-UHFFFAOYSA-N -1 3 396.491 3.506 20 0 GHADHM CC(F)(F)CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000797217470 932224463 /nfs/dbraw/zinc/22/44/63/932224463.db2.gz JMTDDBJJEBMWFE-UHFFFAOYSA-N -1 3 387.379 3.829 20 0 GHADHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1SC(F)(F)F ZINC000926810922 932315223 /nfs/dbraw/zinc/31/52/23/932315223.db2.gz BTNRIRCAKJKMGG-SNVBAGLBSA-N -1 3 385.411 3.718 20 0 GHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC000777614134 932386833 /nfs/dbraw/zinc/38/68/33/932386833.db2.gz IKPNGYIVNDOVSQ-ZDUSSCGKSA-N -1 3 378.450 3.843 20 0 GHADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(Nc2ccccn2)CC1 ZINC000927080015 932403048 /nfs/dbraw/zinc/40/30/48/932403048.db2.gz WTHSBTVBUYJRBL-UHFFFAOYSA-N -1 3 382.851 3.706 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1C ZINC000797817502 932415223 /nfs/dbraw/zinc/41/52/23/932415223.db2.gz XXSMCZGLIOURLJ-UHFFFAOYSA-N -1 3 378.450 3.600 20 0 GHADHM CCOC(=O)/C(=C/c1cc(Cl)c([O-])c(OC)c1)c1ccc(OCC)cn1 ZINC000798231683 932570485 /nfs/dbraw/zinc/57/04/85/932570485.db2.gz WBHISCMUMRUTBW-RIYZIHGNSA-N -1 3 377.824 3.952 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000798299941 932598884 /nfs/dbraw/zinc/59/88/84/932598884.db2.gz QOCDADHSVRVCIL-MRXNPFEDSA-N -1 3 380.460 3.573 20 0 GHADHM O=C([N-]CC1CCN(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1)C(F)(F)F ZINC000798404174 932632773 /nfs/dbraw/zinc/63/27/73/932632773.db2.gz MJJHSBAQEQSWML-QGZVFWFLSA-N -1 3 397.441 3.628 20 0 GHADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(Cl)c1Br ZINC000559490265 932703409 /nfs/dbraw/zinc/70/34/09/932703409.db2.gz KPYNDQKVGYLAKJ-UHFFFAOYSA-N -1 3 383.555 3.800 20 0 GHADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(Cl)c1Br ZINC000559490265 932703412 /nfs/dbraw/zinc/70/34/12/932703412.db2.gz KPYNDQKVGYLAKJ-UHFFFAOYSA-N -1 3 383.555 3.800 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799022938 932854575 /nfs/dbraw/zinc/85/45/75/932854575.db2.gz SVJRGPQAYWQREG-INIZCTEOSA-N -1 3 376.463 3.900 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000799099343 932878986 /nfs/dbraw/zinc/87/89/86/932878986.db2.gz PZOUABPVRCULAD-UHFFFAOYSA-N -1 3 387.823 3.579 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(Cc4cccs4)n3)n[n-]2)c1 ZINC000559987957 933000797 /nfs/dbraw/zinc/00/07/97/933000797.db2.gz RMERGHKFUUCWSQ-UHFFFAOYSA-N -1 3 388.250 3.937 20 0 GHADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc2)n1 ZINC000559994516 933003677 /nfs/dbraw/zinc/00/36/77/933003677.db2.gz UOFXRMSXGMLCEZ-UHFFFAOYSA-N -1 3 395.488 3.912 20 0 GHADHM O=C([N-][C@@H](c1ncccn1)C1CC1)C(F)(F)c1ccccc1Br ZINC000928572059 933023842 /nfs/dbraw/zinc/02/38/42/933023842.db2.gz AGSLZJKOKYHLCD-CYBMUJFWSA-N -1 3 382.208 3.598 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cnc(OCC4CC4)cn3)n2)cc1 ZINC000560077933 933052019 /nfs/dbraw/zinc/05/20/19/933052019.db2.gz XOPCIPATKDCJHB-UHFFFAOYSA-N -1 3 399.501 3.758 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(OC[C@@H]2CCOC2)c1 ZINC000560242437 933151128 /nfs/dbraw/zinc/15/11/28/933151128.db2.gz KVPOGJCTMVACRH-CQSZACIVSA-N -1 3 375.852 3.699 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)c1 ZINC000799919134 933167746 /nfs/dbraw/zinc/16/77/46/933167746.db2.gz BZOBYNZHESVKEY-UHFFFAOYSA-N -1 3 392.546 3.748 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)nc[n-]c2=O)sc1Cc1ccc(F)cc1 ZINC001115871967 933227805 /nfs/dbraw/zinc/22/78/05/933227805.db2.gz LMUXEVNDAHJURR-UHFFFAOYSA-N -1 3 386.452 3.557 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001115988403 933271156 /nfs/dbraw/zinc/27/11/56/933271156.db2.gz YYTBGTBFOUHPNY-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000560822938 933589147 /nfs/dbraw/zinc/58/91/47/933589147.db2.gz JHPPKWLNXDLFNB-UHFFFAOYSA-N -1 3 378.709 3.972 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]([C@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000929763018 933620399 /nfs/dbraw/zinc/62/03/99/933620399.db2.gz LDMHWKCEYBNCKU-ROUUACIJSA-N -1 3 396.491 3.828 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)O[C@@H]1CCCc2ccc(Br)cc21 ZINC001116830673 933782625 /nfs/dbraw/zinc/78/26/25/933782625.db2.gz SCHDLPYXYVFROA-MRXNPFEDSA-N -1 3 391.265 3.807 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(CCC(F)(F)F)s1 ZINC000930535294 934086778 /nfs/dbraw/zinc/08/67/78/934086778.db2.gz FDXIMBNGPAIOGB-UHFFFAOYSA-N -1 3 381.383 3.530 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1[O-] ZINC001118280415 934125847 /nfs/dbraw/zinc/12/58/47/934125847.db2.gz LOYNMLYIHOZMHM-CABCVRRESA-N -1 3 376.453 3.617 20 0 GHADHM CC(C)(CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000561662108 934348128 /nfs/dbraw/zinc/34/81/28/934348128.db2.gz JQAFBIDXJBGOQL-UHFFFAOYSA-N -1 3 377.282 3.847 20 0 GHADHM O=C([O-])[C@H](CNCc1ccncc1Br)Cc1ccccc1Cl ZINC001119545039 934366820 /nfs/dbraw/zinc/36/68/20/934366820.db2.gz UMVVQEDINXTLJQ-ZDUSSCGKSA-N -1 3 383.673 3.531 20 0 GHADHM Cc1nc(SC2CCCC2)sc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001121147432 934574690 /nfs/dbraw/zinc/57/46/90/934574690.db2.gz SQGKGGVBWSHYOH-UHFFFAOYSA-N -1 3 391.444 3.804 20 0 GHADHM Cc1nc(SC2CCCC2)sc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001121147432 934574696 /nfs/dbraw/zinc/57/46/96/934574696.db2.gz SQGKGGVBWSHYOH-UHFFFAOYSA-N -1 3 391.444 3.804 20 0 GHADHM Cc1cc(Cl)ccc1C1=CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2C)CC1 ZINC001121369258 934639197 /nfs/dbraw/zinc/63/91/97/934639197.db2.gz ZBODJNWRXSYFBG-UHFFFAOYSA-N -1 3 396.882 3.542 20 0 GHADHM COCCCn1c(=O)[n-]nc1SCc1ccc(N2CCCCC2)c(C)c1 ZINC000828748064 935700615 /nfs/dbraw/zinc/70/06/15/935700615.db2.gz BRJGLEGJQIVQQW-UHFFFAOYSA-N -1 3 376.526 3.611 20 0 GHADHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC001137755850 935773199 /nfs/dbraw/zinc/77/31/99/935773199.db2.gz CORBWNKNALPJKD-UHFFFAOYSA-N -1 3 376.478 3.784 20 0 GHADHM COc1ccccc1[C@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001137781877 935786652 /nfs/dbraw/zinc/78/66/52/935786652.db2.gz VKJQRFAEQUDMFR-NRFANRHFSA-N -1 3 391.467 3.649 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000829498422 935818332 /nfs/dbraw/zinc/81/83/32/935818332.db2.gz AUWAXKJUNTTZEH-OAHLLOKOSA-N -1 3 381.501 3.853 20 0 GHADHM CCOC(=O)c1sc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2OC)nc1C ZINC000829981380 935887612 /nfs/dbraw/zinc/88/76/12/935887612.db2.gz DEGBFGUCTGPRBE-NSHDSACASA-N -1 3 398.431 3.606 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCCCc2ccc(Br)cc2)[n-]n1 ZINC001137978884 935903320 /nfs/dbraw/zinc/90/33/20/935903320.db2.gz QOMXOAVNBZETJL-UHFFFAOYSA-N -1 3 394.269 3.700 20 0 GHADHM CCOC(=O)c1cc(NC(=O)CCCCc2ccc(Br)cc2)n[n-]1 ZINC001137978884 935903322 /nfs/dbraw/zinc/90/33/22/935903322.db2.gz QOMXOAVNBZETJL-UHFFFAOYSA-N -1 3 394.269 3.700 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000830424999 935943326 /nfs/dbraw/zinc/94/33/26/935943326.db2.gz NHANYFPSUQOCEZ-GFCCVEGCSA-N -1 3 389.868 3.789 20 0 GHADHM O=C([O-])[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cc(F)ccc1F ZINC000908919991 939352045 /nfs/dbraw/zinc/35/20/45/939352045.db2.gz NUVOANKNUVCADE-IBGZPJMESA-N -1 3 388.414 3.506 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1Cn1cnc(-c2ccccc2)c1 ZINC001573278877 946624656 /nfs/dbraw/zinc/62/46/56/946624656.db2.gz ABURYQGAECSOQN-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1Cn1cnc(-c2ccccc2)c1 ZINC001573278877 946624660 /nfs/dbraw/zinc/62/46/60/946624660.db2.gz ABURYQGAECSOQN-UHFFFAOYSA-N -1 3 381.237 3.541 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NCC2([C@H]3CCCCO3)CCC2)c1 ZINC001573279967 946652837 /nfs/dbraw/zinc/65/28/37/946652837.db2.gz NPFDWKBGMHOODO-OAHLLOKOSA-N -1 3 392.301 3.781 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NCC2([C@H]3CCCCO3)CCC2)c1 ZINC001573279967 946652843 /nfs/dbraw/zinc/65/28/43/946652843.db2.gz NPFDWKBGMHOODO-OAHLLOKOSA-N -1 3 392.301 3.781 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(Nc2cccc(N3CCCC3)c2)c1 ZINC001573280452 946662238 /nfs/dbraw/zinc/66/22/38/946662238.db2.gz SOONPYUCYJQPEL-UHFFFAOYSA-N -1 3 385.269 3.973 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(Nc2cccc(N3CCCC3)c2)c1 ZINC001573280452 946662244 /nfs/dbraw/zinc/66/22/44/946662244.db2.gz SOONPYUCYJQPEL-UHFFFAOYSA-N -1 3 385.269 3.973 20 0 GHADHM Brc1cc(-c2nnn[n-]2)cnc1NCCCCCc1ccccc1 ZINC001573280660 946666412 /nfs/dbraw/zinc/66/64/12/946666412.db2.gz VLMYQEADLWGYPY-UHFFFAOYSA-N -1 3 387.285 3.849 20 0 GHADHM Brc1cc(-c2nn[n-]n2)cnc1NCCCCCc1ccccc1 ZINC001573280660 946666421 /nfs/dbraw/zinc/66/64/21/946666421.db2.gz VLMYQEADLWGYPY-UHFFFAOYSA-N -1 3 387.285 3.849 20 0 GHADHM CC(=O)c1ccc(C(F)(F)F)nc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC001573556851 946930525 /nfs/dbraw/zinc/93/05/25/946930525.db2.gz WTMIRKKBLPGRAV-UHFFFAOYSA-N -1 3 383.330 3.773 20 0 GHADHM CC(=O)c1ccc(C(F)(F)F)nc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC001573556851 946930530 /nfs/dbraw/zinc/93/05/30/946930530.db2.gz WTMIRKKBLPGRAV-UHFFFAOYSA-N -1 3 383.330 3.773 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1cn(C)c2ccccc12 ZINC001573757042 948830116 /nfs/dbraw/zinc/83/01/16/948830116.db2.gz XNCHKJDAVOPLHK-ZDUSSCGKSA-N -1 3 386.459 3.978 20 0 GHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1cn(C)c2ccccc12 ZINC001573757042 948830130 /nfs/dbraw/zinc/83/01/30/948830130.db2.gz XNCHKJDAVOPLHK-ZDUSSCGKSA-N -1 3 386.459 3.978 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001574082125 948850473 /nfs/dbraw/zinc/85/04/73/948850473.db2.gz ARCGRYNIZZEQPS-NRFANRHFSA-N -1 3 393.491 3.880 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001574082125 948850499 /nfs/dbraw/zinc/85/04/99/948850499.db2.gz ARCGRYNIZZEQPS-NRFANRHFSA-N -1 3 393.491 3.880 20 0 GHADHM CC(C)(C(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC001573765918 948928073 /nfs/dbraw/zinc/92/80/73/948928073.db2.gz QQQJTKFGNCUGFZ-UHFFFAOYSA-N -1 3 383.455 3.887 20 0 GHADHM CC(C)(C(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC001573765918 948928087 /nfs/dbraw/zinc/92/80/87/948928087.db2.gz QQQJTKFGNCUGFZ-UHFFFAOYSA-N -1 3 383.455 3.887 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)CC1 ZINC001574090509 948985801 /nfs/dbraw/zinc/98/58/01/948985801.db2.gz KUBSRWJPASUDPP-WMLDXEAASA-N -1 3 394.479 3.856 20 0 GHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)CC1 ZINC001574090509 948985807 /nfs/dbraw/zinc/98/58/07/948985807.db2.gz KUBSRWJPASUDPP-WMLDXEAASA-N -1 3 394.479 3.856 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001575502938 949032721 /nfs/dbraw/zinc/03/27/21/949032721.db2.gz LTORCDDSTYJXPD-CYBMUJFWSA-N -1 3 397.479 3.682 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001575502938 949032743 /nfs/dbraw/zinc/03/27/43/949032743.db2.gz LTORCDDSTYJXPD-CYBMUJFWSA-N -1 3 397.479 3.682 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1F ZINC001575503239 949041140 /nfs/dbraw/zinc/04/11/40/949041140.db2.gz NUVNHPORVLBIHD-ACJLOTCBSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1F ZINC001575503239 949041157 /nfs/dbraw/zinc/04/11/57/949041157.db2.gz NUVNHPORVLBIHD-ACJLOTCBSA-N -1 3 397.479 3.996 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Cl)c2ncccc12 ZINC001575513877 949154541 /nfs/dbraw/zinc/15/45/41/949154541.db2.gz UBACNNOZHKQYHL-LBPRGKRZSA-N -1 3 392.850 3.902 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Cl)c2ncccc12 ZINC001575513877 949154558 /nfs/dbraw/zinc/15/45/58/949154558.db2.gz UBACNNOZHKQYHL-LBPRGKRZSA-N -1 3 392.850 3.902 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccn1 ZINC001575515123 949179336 /nfs/dbraw/zinc/17/93/36/949179336.db2.gz GRIVLBVDFSQKPP-AWEZNQCLSA-N -1 3 388.406 3.809 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccn1 ZINC001575515123 949179347 /nfs/dbraw/zinc/17/93/47/949179347.db2.gz GRIVLBVDFSQKPP-AWEZNQCLSA-N -1 3 388.406 3.809 20 0 GHADHM CC(C)[C@@H]1N(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC12CCCC2 ZINC001574099692 949183223 /nfs/dbraw/zinc/18/32/23/949183223.db2.gz NMBYVIIIHGWTTD-MOPGFXCFSA-N -1 3 394.523 3.854 20 0 GHADHM CC(C)[C@@H]1N(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC12CCCC2 ZINC001574099692 949183241 /nfs/dbraw/zinc/18/32/41/949183241.db2.gz NMBYVIIIHGWTTD-MOPGFXCFSA-N -1 3 394.523 3.854 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC001589605242 949247185 /nfs/dbraw/zinc/24/71/85/949247185.db2.gz PINWQNQZZWZSTE-SCLBCKFNSA-N -1 3 397.313 3.661 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)C1 ZINC001576152286 949248951 /nfs/dbraw/zinc/24/89/51/949248951.db2.gz IGRPKTCDAFWOGN-RYUDHWBXSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)C1 ZINC001576152286 949248971 /nfs/dbraw/zinc/24/89/71/949248971.db2.gz IGRPKTCDAFWOGN-RYUDHWBXSA-N -1 3 389.525 3.686 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(c2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001575857461 949271451 /nfs/dbraw/zinc/27/14/51/949271451.db2.gz RGTKSNRABYWEDU-SFHVURJKSA-N -1 3 399.296 3.582 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(c2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001575857461 949271469 /nfs/dbraw/zinc/27/14/69/949271469.db2.gz RGTKSNRABYWEDU-SFHVURJKSA-N -1 3 399.296 3.582 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C1 ZINC001576154007 949311199 /nfs/dbraw/zinc/31/11/99/949311199.db2.gz OGRNCQOBKICMRP-LALPHHSUSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C1 ZINC001576154007 949311221 /nfs/dbraw/zinc/31/12/21/949311221.db2.gz OGRNCQOBKICMRP-LALPHHSUSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)C1 ZINC001576154008 949311273 /nfs/dbraw/zinc/31/12/73/949311273.db2.gz OGRNCQOBKICMRP-TYNCELHUSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)C1 ZINC001576154008 949311296 /nfs/dbraw/zinc/31/12/96/949311296.db2.gz OGRNCQOBKICMRP-TYNCELHUSA-N -1 3 396.417 3.690 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576154900 949367802 /nfs/dbraw/zinc/36/78/02/949367802.db2.gz SCWGYDSJAYCLDH-RDJZCZTQSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576154900 949367823 /nfs/dbraw/zinc/36/78/23/949367823.db2.gz SCWGYDSJAYCLDH-RDJZCZTQSA-N -1 3 376.464 3.621 20 0 GHADHM CC(C)(C)C1CCC(CNC(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573825208 949867016 /nfs/dbraw/zinc/86/70/16/949867016.db2.gz MWVIIUADLITYAJ-UHFFFAOYSA-N -1 3 376.530 3.580 20 0 GHADHM CC(C)C[C@H](Nc1cc(-c2nnn[n-]2)cnn1)c1cccc(C(F)(F)F)c1 ZINC001574162611 950391800 /nfs/dbraw/zinc/39/18/00/950391800.db2.gz FJTVXOMFJWQVSP-AWEZNQCLSA-N -1 3 377.374 3.875 20 0 GHADHM CC(C)C[C@H](Nc1cc(-c2nn[n-]n2)cnn1)c1cccc(C(F)(F)F)c1 ZINC001574162611 950391823 /nfs/dbraw/zinc/39/18/23/950391823.db2.gz FJTVXOMFJWQVSP-AWEZNQCLSA-N -1 3 377.374 3.875 20 0 GHADHM C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001576214100 950658297 /nfs/dbraw/zinc/65/82/97/950658297.db2.gz NBFSCUOUQINZMX-MRXNPFEDSA-N -1 3 390.491 3.594 20 0 GHADHM C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001576214100 950658312 /nfs/dbraw/zinc/65/83/12/950658312.db2.gz NBFSCUOUQINZMX-MRXNPFEDSA-N -1 3 390.491 3.594 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCOC(C)(C)C2)c1-c1nnn[n-]1 ZINC001575638867 950854581 /nfs/dbraw/zinc/85/45/81/950854581.db2.gz KVOOLXXNWITZIT-LLVKDONJSA-N -1 3 392.529 3.552 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCOC(C)(C)C2)c1-c1nn[n-]n1 ZINC001575638867 950854604 /nfs/dbraw/zinc/85/46/04/950854604.db2.gz KVOOLXXNWITZIT-LLVKDONJSA-N -1 3 392.529 3.552 20 0 GHADHM CC1(C)C[C@]1(C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001575641433 950920941 /nfs/dbraw/zinc/92/09/41/950920941.db2.gz QBBZNHCYGRNDNM-WMZHIEFXSA-N -1 3 387.487 3.728 20 0 GHADHM CC1(C)C[C@]1(C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001575641433 950920954 /nfs/dbraw/zinc/92/09/54/950920954.db2.gz QBBZNHCYGRNDNM-WMZHIEFXSA-N -1 3 387.487 3.728 20 0 GHADHM CC(C)(CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCCC1 ZINC001573898339 950977762 /nfs/dbraw/zinc/97/77/62/950977762.db2.gz ZNXNKYHVYJXJRJ-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM CC(C)CCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@H]1C ZINC001574195495 950986599 /nfs/dbraw/zinc/98/65/99/950986599.db2.gz QAWIEWCUVVQMNE-OAHLLOKOSA-N -1 3 380.500 3.550 20 0 GHADHM CC(C)CCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@H]1C ZINC001574195495 950986616 /nfs/dbraw/zinc/98/66/16/950986616.db2.gz QAWIEWCUVVQMNE-OAHLLOKOSA-N -1 3 380.500 3.550 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1(CC)CC ZINC001591762200 951205731 /nfs/dbraw/zinc/20/57/31/951205731.db2.gz NCBQAKGJLKPLII-KBAYOESNSA-N -1 3 378.513 3.654 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1ccccc1F)C1CCC1 ZINC001575185508 952433816 /nfs/dbraw/zinc/43/38/16/952433816.db2.gz RKHATQAVYQRNDH-OAHLLOKOSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1F)C1CCC1 ZINC001575185508 952433819 /nfs/dbraw/zinc/43/38/19/952433819.db2.gz RKHATQAVYQRNDH-OAHLLOKOSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001575191145 952466210 /nfs/dbraw/zinc/46/62/10/952466210.db2.gz XHGAHAKKFNRLCN-HSZRJFAPSA-N -1 3 383.455 3.755 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001575191145 952466212 /nfs/dbraw/zinc/46/62/12/952466212.db2.gz XHGAHAKKFNRLCN-HSZRJFAPSA-N -1 3 383.455 3.755 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(-c2ccncc2)c1 ZINC001575191661 952468769 /nfs/dbraw/zinc/46/87/69/952468769.db2.gz YOBDZCNQIAWSAX-OAHLLOKOSA-N -1 3 385.427 3.713 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(-c2ccncc2)c1 ZINC001575191661 952468770 /nfs/dbraw/zinc/46/87/70/952468770.db2.gz YOBDZCNQIAWSAX-OAHLLOKOSA-N -1 3 385.427 3.713 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2nn(C(=O)OC(C)(C)C)c3ccc(F)cc23)n1 ZINC001154353679 1032060346 /nfs/dbraw/zinc/06/03/46/1032060346.db2.gz WFGWYLLURPTOON-UHFFFAOYSA-N -1 3 386.383 3.620 20 0 GHADHM COC(=O)CCN(CC(=O)[O-])Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC001593841100 955363451 /nfs/dbraw/zinc/36/34/51/955363451.db2.gz OFVKVTAAUJWNHX-UHFFFAOYSA-N -1 3 395.814 3.721 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC001231789180 960619443 /nfs/dbraw/zinc/61/94/43/960619443.db2.gz CRMXNNNDBZFLCL-UHFFFAOYSA-N -1 3 384.407 3.810 20 0 GHADHM O=C([O-])[C@]1(NC(=O)CC/C=C\c2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001345074320 962220584 /nfs/dbraw/zinc/22/05/84/962220584.db2.gz JNRXOKGIZRNXGF-QOCFUJJPSA-N -1 3 392.499 3.716 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)c2ccc3sccc3c2)CCCN(Cc2ccccc2)C1 ZINC001349875876 962486182 /nfs/dbraw/zinc/48/61/82/962486182.db2.gz VBQMFHWXZYMBTJ-JOCHJYFZSA-N -1 3 394.496 3.751 20 0 GHADHM CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)C(=O)[O-] ZINC001588950530 962569950 /nfs/dbraw/zinc/56/99/50/962569950.db2.gz MDIGWOWVPSFEQW-OAHLLOKOSA-N -1 3 391.880 3.916 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2conc2Cc2ccccc2)C[C@H]1c1ccc(F)cc1F ZINC001353915214 962676552 /nfs/dbraw/zinc/67/65/52/962676552.db2.gz HKFMQPRWNYBMHW-RBUKOAKNSA-N -1 3 398.409 3.844 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)c2cccc(C3CCC3)c2)CCCN(Cc2ccccc2)C1 ZINC001520161026 962818393 /nfs/dbraw/zinc/81/83/93/962818393.db2.gz POOKJCIZHDCQOH-XMMPIXPASA-N -1 3 392.499 3.803 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001526693610 962874556 /nfs/dbraw/zinc/87/45/56/962874556.db2.gz NCAXEXZNRZVMKZ-TXTKFYIRSA-N -1 3 386.536 3.684 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591776615 975923456 /nfs/dbraw/zinc/92/34/56/975923456.db2.gz DBNAWIMVJKUVMS-OAHLLOKOSA-N -1 3 391.493 3.658 20 0 GHADHM CC(C)[C@@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001592268865 977525593 /nfs/dbraw/zinc/52/55/93/977525593.db2.gz KNXYFFCKDMWFPB-JLTOFOAXSA-N -1 3 394.475 3.965 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC001592860322 979689652 /nfs/dbraw/zinc/68/96/52/979689652.db2.gz HHZPKMOWTZQIOC-QGZVFWFLSA-N -1 3 387.524 3.680 20 0 GHADHM CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595301374 980437560 /nfs/dbraw/zinc/43/75/60/980437560.db2.gz YHACACQKFZIMFX-QINHECLXSA-N -1 3 383.492 3.634 20 0 GHADHM CC[C@](C)(C(=O)[O-])[N@@H+](Cc1ccc(OC)c([O-])c1Br)CC1CC1 ZINC001594788118 981833549 /nfs/dbraw/zinc/83/35/49/981833549.db2.gz RXDCOCBMONGSKV-QGZVFWFLSA-N -1 3 386.286 3.629 20 0 GHADHM CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(OC)c([O-])c1Br)CC1CC1 ZINC001594788118 981833557 /nfs/dbraw/zinc/83/35/57/981833557.db2.gz RXDCOCBMONGSKV-QGZVFWFLSA-N -1 3 386.286 3.629 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1[O-] ZINC001626045880 1014823544 /nfs/dbraw/zinc/82/35/44/1014823544.db2.gz RNSFNQCOUQAYFX-UHFFFAOYSA-N -1 3 377.444 3.690 20 0 GHADHM CCCCNC(=O)[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001595755699 982447865 /nfs/dbraw/zinc/44/78/65/982447865.db2.gz BMPRRNGBRSDKGY-BLLLJJGKSA-N -1 3 387.307 3.747 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccco1 ZINC001594994014 982867575 /nfs/dbraw/zinc/86/75/75/982867575.db2.gz FNWJSJAOGDNTEI-IAQYHMDHSA-N -1 3 379.844 3.882 20 0 GHADHM CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001596442617 984138908 /nfs/dbraw/zinc/13/89/08/984138908.db2.gz ZBIAXZBIXZKDGU-GJZGRUSLSA-N -1 3 389.471 3.671 20 0 GHADHM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC001589335031 986206629 /nfs/dbraw/zinc/20/66/29/986206629.db2.gz LLAIWPVOSHNWEP-LRDDRELGSA-N -1 3 387.307 3.842 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@@H]3CCC[C@@H]3C(=O)[O-])cs2)cc1OC ZINC001597049332 986520439 /nfs/dbraw/zinc/52/04/39/986520439.db2.gz LWSWILHEAUASET-LSDHHAIUSA-N -1 3 376.478 3.560 20 0 GHADHM CCOc1ccc([C@@H](O)C2CCN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)cc1 ZINC001597074572 986600318 /nfs/dbraw/zinc/60/03/18/986600318.db2.gz PPFYFQIZCZNAHU-JOCHJYFZSA-N -1 3 398.503 3.935 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001597257809 987264137 /nfs/dbraw/zinc/26/41/37/987264137.db2.gz ANSFALLYESAIJF-MRVWCRGKSA-N -1 3 396.578 3.773 20 0 GHADHM CCc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c(C(=O)[O-])c1 ZINC001597551272 988273886 /nfs/dbraw/zinc/27/38/86/988273886.db2.gz WZIRPGFQXZTXQI-UHFFFAOYSA-N -1 3 395.503 3.730 20 0 GHADHM CSc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)N(C)C)cc1 ZINC001599811907 988350952 /nfs/dbraw/zinc/35/09/52/988350952.db2.gz JVSOBOVLWNMUJB-SFHVURJKSA-N -1 3 387.505 3.840 20 0 GHADHM CCc1nn(C)c(CC)c1CN(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001597716391 988981867 /nfs/dbraw/zinc/98/18/67/988981867.db2.gz QCVJSRICBXQIQE-KRWDZBQOSA-N -1 3 394.313 3.565 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN(Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC001597761400 989186462 /nfs/dbraw/zinc/18/64/62/989186462.db2.gz BPIFMZXCHVFUKS-GOSISDBHSA-N -1 3 375.465 3.568 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001597761829 989193218 /nfs/dbraw/zinc/19/32/18/989193218.db2.gz YNECPEXBKCUQNN-OAHLLOKOSA-N -1 3 382.501 3.911 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001597763579 989208781 /nfs/dbraw/zinc/20/87/81/989208781.db2.gz ZXXFBFZIXOZGGO-GOEBONIOSA-N -1 3 392.496 3.762 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001597767367 989219870 /nfs/dbraw/zinc/21/98/70/989219870.db2.gz KIMSUAYAEZIDGJ-DNVCBOLYSA-N -1 3 396.409 3.883 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598202924 990826871 /nfs/dbraw/zinc/82/68/71/990826871.db2.gz NIHXAHAGDIBJBO-SFHVURJKSA-N -1 3 389.883 3.782 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000468347143 1015610078 /nfs/dbraw/zinc/61/00/78/1015610078.db2.gz HQBHLJCYBOEGEV-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM COc1ccccc1[C@H](CNCc1ccc(C(=O)[O-])cc1F)N1CCCCC1 ZINC001599698978 991190695 /nfs/dbraw/zinc/19/06/95/991190695.db2.gz VHNHDAVWOVYGNG-FQEVSTJZSA-N -1 3 386.467 3.849 20 0 GHADHM CN(C)c1nc(CNC2(CC(=O)[O-])CCCCC2)c(Cl)n1-c1ccccc1 ZINC001598348689 991435837 /nfs/dbraw/zinc/43/58/37/991435837.db2.gz DINZTVUWXNKDII-UHFFFAOYSA-N -1 3 390.915 3.859 20 0 GHADHM CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001591210753 992046645 /nfs/dbraw/zinc/04/66/45/992046645.db2.gz AECZFUOIXFWJMX-TZIWHRDSSA-N -1 3 388.552 3.679 20 0 GHADHM CN(Cc1ccc(F)cc1I)C1(C(=O)[O-])CCCCC1 ZINC001598519065 992656479 /nfs/dbraw/zinc/65/64/79/992656479.db2.gz GYNKFDRPKNZOGH-UHFFFAOYSA-N -1 3 391.224 3.650 20 0 GHADHM CN1CC[C@@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001598586384 993388717 /nfs/dbraw/zinc/38/87/17/993388717.db2.gz NUTVGTRVFWFPOS-UYAOXDASSA-N -1 3 399.516 3.820 20 0 GHADHM C[C@H](N[C@H]1CCc2cccc3cccc1c32)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593232519 994386326 /nfs/dbraw/zinc/38/63/26/994386326.db2.gz NVDJQEOBGKFDNA-BTYIYWSLSA-N -1 3 388.467 3.820 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001599655299 994569504 /nfs/dbraw/zinc/56/95/04/994569504.db2.gz INKWCVYKKSKXDZ-GOSISDBHSA-N -1 3 398.381 3.511 20 0 GHADHM C[C@](NCC[S@](=O)c1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593271238 994601404 /nfs/dbraw/zinc/60/14/04/994601404.db2.gz GEEJPIRCRKLDOC-OSPHWJPCSA-N -1 3 386.300 3.691 20 0 GHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000545472980 1015912105 /nfs/dbraw/zinc/91/21/05/1015912105.db2.gz PKGBXQINBNGFAB-UHFFFAOYSA-N -1 3 399.310 3.633 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cn1C ZINC000545474108 1015912981 /nfs/dbraw/zinc/91/29/81/1015912981.db2.gz WGNCQBGFGADNIQ-UHFFFAOYSA-N -1 3 392.811 3.594 20 0 GHADHM COC1(C)CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CC1 ZINC001599085530 997091600 /nfs/dbraw/zinc/09/16/00/997091600.db2.gz HDZTWUXCNGLSSW-UHFFFAOYSA-N -1 3 398.290 3.878 20 0 GHADHM COC(=O)c1c(CN[C@H](C(=O)[O-])C2CC2)nc2ccccc2c1-c1ccccc1 ZINC001598910746 997364550 /nfs/dbraw/zinc/36/45/50/997364550.db2.gz QZGXJZMHAKUPQI-NRFANRHFSA-N -1 3 390.439 3.641 20 0 GHADHM COC(=O)c1cc(CN2CCC(c3ccc(N(C)C)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598931213 997758617 /nfs/dbraw/zinc/75/86/17/997758617.db2.gz GZOUWFORPKXAHT-UHFFFAOYSA-N -1 3 396.487 3.617 20 0 GHADHM COC(=O)c1cc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)c(C)o1 ZINC001598931526 997766154 /nfs/dbraw/zinc/76/61/54/997766154.db2.gz NJGYCQLOCHAGKX-UHFFFAOYSA-N -1 3 396.443 3.934 20 0 GHADHM COc1ccc(C[C@@H](NCc2cncc(C(=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC001599552886 998039484 /nfs/dbraw/zinc/03/94/84/998039484.db2.gz OVKSCLFDCPWLAG-JOCHJYFZSA-N -1 3 392.455 3.871 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(OC)c(OC)c2C)C(=O)[O-])c1 ZINC001599452084 998121177 /nfs/dbraw/zinc/12/11/77/998121177.db2.gz DMGDNAMIRNWTJZ-ORAYPTAESA-N -1 3 389.448 3.506 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc3c1NCCC3)CC2 ZINC001599465921 998361074 /nfs/dbraw/zinc/36/10/74/998361074.db2.gz VLXSRWSDOORHBB-IBGZPJMESA-N -1 3 396.487 3.636 20 0 GHADHM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001599373878 998456156 /nfs/dbraw/zinc/45/61/56/998456156.db2.gz JAXPNEVHZWUUHA-SFHVURJKSA-N -1 3 397.475 3.570 20 0 GHADHM COC(=O)c1ccc2[nH]cc(C3CCN(Cc4cc(C(=O)[O-])c(C)[nH]4)CC3)c2c1 ZINC001598989748 998725778 /nfs/dbraw/zinc/72/57/78/998725778.db2.gz KKBPEVKOZOBFSU-UHFFFAOYSA-N -1 3 395.459 3.669 20 0 GHADHM COC(=O)c1cccc(-c2nc(CN[C@H](CC(=O)[O-])C(C)(C)C)cs2)c1 ZINC001598991225 998739632 /nfs/dbraw/zinc/73/96/32/998739632.db2.gz GXUXNWORUUFXAO-OAHLLOKOSA-N -1 3 376.478 3.576 20 0 GHADHM COC(=O)c1cccc([C@H](N[C@H]2CCCc3sc(Cl)cc32)C(=O)[O-])c1 ZINC001598998541 998802933 /nfs/dbraw/zinc/80/29/33/998802933.db2.gz QIKIQJQCDQRLEL-BBRMVZONSA-N -1 3 379.865 3.981 20 0 GHADHM CCOc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000545855559 1016526028 /nfs/dbraw/zinc/52/60/28/1016526028.db2.gz FMAKOEDEMJKZEQ-QGZVFWFLSA-N -1 3 388.895 3.839 20 0 GHADHM COc1cc(C(=O)N2CCC(OCC3CCCCC3)CC2)cc(OC)c1[O-] ZINC000545855189 1016526351 /nfs/dbraw/zinc/52/63/51/1016526351.db2.gz COLIGJMMILRGTD-UHFFFAOYSA-N -1 3 377.481 3.611 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cnccc1-n1cccn1 ZINC000545857589 1016529165 /nfs/dbraw/zinc/52/91/65/1016529165.db2.gz QZRCPBYRYUXDIU-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000546678319 1016710677 /nfs/dbraw/zinc/71/06/77/1016710677.db2.gz KHPFFHQGCSSGRR-UHFFFAOYSA-N -1 3 383.455 3.907 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000546678319 1016710690 /nfs/dbraw/zinc/71/06/90/1016710690.db2.gz KHPFFHQGCSSGRR-UHFFFAOYSA-N -1 3 383.455 3.907 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCC4(Cc5ccccc5O4)CC3)c2c1 ZINC001154510717 1032152786 /nfs/dbraw/zinc/15/27/86/1032152786.db2.gz ITYGLMJIJWJGCB-UHFFFAOYSA-N -1 3 390.439 3.559 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC(C(C)C)C(C)C ZINC001154646397 1032223713 /nfs/dbraw/zinc/22/37/13/1032223713.db2.gz BBHVQHDJAUQXOZ-UHFFFAOYSA-N -1 3 397.475 3.651 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)CCC2)cc1 ZINC001154797472 1032288781 /nfs/dbraw/zinc/28/87/81/1032288781.db2.gz URYBFMDDFLYDHB-UHFFFAOYSA-N -1 3 395.503 3.833 20 0 GHADHM CC(C)(C)OC(=O)NCC(F)(F)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC001154818666 1032296150 /nfs/dbraw/zinc/29/61/50/1032296150.db2.gz ZFBALLUEVBUGHH-UHFFFAOYSA-N -1 3 398.784 3.708 20 0 GHADHM Cc1cc(Oc2ccccc2)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001155063756 1032399196 /nfs/dbraw/zinc/39/91/96/1032399196.db2.gz STKBLQDHJLWJGJ-UHFFFAOYSA-N -1 3 376.338 3.854 20 0 GHADHM CCCc1cc(O[C@H](CS(C)(=O)=O)c2ccccc2Cl)[n-]c(=S)n1 ZINC001227420794 1032413804 /nfs/dbraw/zinc/41/38/04/1032413804.db2.gz CHLYKPWHYBXIQE-CQSZACIVSA-N -1 3 386.926 3.536 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155169796 1032442379 /nfs/dbraw/zinc/44/23/79/1032442379.db2.gz AOPLCASLPHGURP-UHFFFAOYSA-N -1 3 397.847 3.691 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1nc2nc(Cl)ccc2[n-]1 ZINC001155169796 1032442376 /nfs/dbraw/zinc/44/23/76/1032442376.db2.gz AOPLCASLPHGURP-UHFFFAOYSA-N -1 3 397.847 3.691 20 0 GHADHM CCOC(=O)[C@H]1C[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)c2ccccc2O1 ZINC001227582622 1032471915 /nfs/dbraw/zinc/47/19/15/1032471915.db2.gz BWFWYVYCPJIHHF-UONOGXRCSA-N -1 3 383.322 3.640 20 0 GHADHM COc1ccc(C(=O)N2CCc3ccc(Br)c(F)c3C2)c([O-])c1 ZINC001155735059 1032671673 /nfs/dbraw/zinc/67/16/73/1032671673.db2.gz YMDXXTIZCBXQLJ-UHFFFAOYSA-N -1 3 380.213 3.501 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000558685729 1017267860 /nfs/dbraw/zinc/26/78/60/1017267860.db2.gz RUNMZMBOGJJLKI-UHFFFAOYSA-N -1 3 381.501 3.940 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@@H](C)c3ccccc32)cc1OC ZINC000559151679 1017375235 /nfs/dbraw/zinc/37/52/35/1017375235.db2.gz NXRSEYMXVVDCOK-CYBMUJFWSA-N -1 3 389.477 3.612 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC2CCC1CC2 ZINC000559581844 1017472415 /nfs/dbraw/zinc/47/24/15/1017472415.db2.gz LNHCDEZVRMPTIT-XIVSLSHWSA-N -1 3 390.427 3.842 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc(OC)c1[O-] ZINC000561566843 1017891586 /nfs/dbraw/zinc/89/15/86/1017891586.db2.gz ORFBGHXLMPQMGC-AWEZNQCLSA-N -1 3 377.824 3.707 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NC(CF)CF)cc1 ZINC000931620323 1018012649 /nfs/dbraw/zinc/01/26/49/1018012649.db2.gz KDLSTWSKEOSPFY-UHFFFAOYSA-N -1 3 397.447 3.533 20 0 GHADHM C[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1cccc(Br)n1 ZINC001228077602 1032766549 /nfs/dbraw/zinc/76/65/49/1032766549.db2.gz URRLGKHAXITXLQ-SECBINFHSA-N -1 3 394.221 3.975 20 0 GHADHM O=c1nc(CN2CCn3nc(C4CC4)cc3C2)[n-]c2scc(-c3ccco3)c21 ZINC000932605911 1018519090 /nfs/dbraw/zinc/51/90/90/1018519090.db2.gz RDLDUNSGFXDBOQ-UHFFFAOYSA-N -1 3 393.472 3.747 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@@H]2CCCN(C)CC2)c([O-])c1 ZINC001228116594 1032792249 /nfs/dbraw/zinc/79/22/49/1032792249.db2.gz XASVFKDJTNSXQQ-OAHLLOKOSA-N -1 3 385.460 3.504 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(Cl)cc2[O-])CCOCC1 ZINC000935098541 1018959288 /nfs/dbraw/zinc/95/92/88/1018959288.db2.gz COIZPPRFINGFEU-GFCCVEGCSA-N -1 3 398.887 3.694 20 0 GHADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563819505 1018965183 /nfs/dbraw/zinc/96/51/83/1018965183.db2.gz MHKVYVQGTXVSGF-NSHDSACASA-N -1 3 379.382 3.782 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CCn3c2nc2ccccc2c3=O)c1 ZINC001228155373 1032812294 /nfs/dbraw/zinc/81/22/94/1032812294.db2.gz SULAZFCHXKZZKG-FQEVSTJZSA-N -1 3 398.418 3.857 20 0 GHADHM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566436621 1019227573 /nfs/dbraw/zinc/22/75/73/1019227573.db2.gz DDZWXVRWFVPHTI-GOSISDBHSA-N -1 3 389.459 3.743 20 0 GHADHM CON(C[C@H]1CCCc2ccccc21)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001156014506 1032842239 /nfs/dbraw/zinc/84/22/39/1032842239.db2.gz NPKQDFLXCRDFKD-CQSZACIVSA-N -1 3 398.409 3.930 20 0 GHADHM CSCC[C@H](NCc1c([O-])ccc(Cl)c1F)c1nnc2ccccn21 ZINC000190708991 1020716557 /nfs/dbraw/zinc/71/65/57/1020716557.db2.gz HIYYOVUAKAXCIE-ZDUSSCGKSA-N -1 3 380.876 3.811 20 0 GHADHM CN1CCC[C@H](CNc2ncc(C(=O)[O-])s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000630459092 1020824781 /nfs/dbraw/zinc/82/47/81/1020824781.db2.gz YNCKQVSIOVMLHL-DOMZBBRYSA-N -1 3 399.438 3.777 20 0 GHADHM CC[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)N1CCc2ccccc2C1 ZINC000634859874 1020960530 /nfs/dbraw/zinc/96/05/30/1020960530.db2.gz CBPRCJVVRQERAV-FQEVSTJZSA-N -1 3 386.536 3.755 20 0 GHADHM COc1ccc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)nc1 ZINC000649651377 1021168987 /nfs/dbraw/zinc/16/89/87/1021168987.db2.gz JGSUJQVBGYLBRP-UHFFFAOYSA-N -1 3 390.443 3.865 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(Cc3ccc([O-])c(F)c3)n2)C1 ZINC000834471168 1021211273 /nfs/dbraw/zinc/21/12/73/1021211273.db2.gz QFYPHUAIRQRIMU-CYBMUJFWSA-N -1 3 377.416 3.620 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(c2noc(Cc3ccc([O-])c(F)c3)n2)CC1 ZINC000834551665 1021267399 /nfs/dbraw/zinc/26/73/99/1021267399.db2.gz JRSAHFBWWRQROZ-UHFFFAOYSA-N -1 3 377.416 3.620 20 0 GHADHM C/C(=C/C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC001140272124 1021297380 /nfs/dbraw/zinc/29/73/80/1021297380.db2.gz NXOGQBLMAYBOEW-WXLZEUHASA-N -1 3 387.867 3.623 20 0 GHADHM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001228553891 1032984775 /nfs/dbraw/zinc/98/47/75/1032984775.db2.gz FFMRIWPEGUTFNE-OAHLLOKOSA-N -1 3 375.852 3.997 20 0 GHADHM Cc1[nH]c(CN2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(C)c1C(=O)[O-] ZINC001140501061 1021876779 /nfs/dbraw/zinc/87/67/79/1021876779.db2.gz MBOFIYULSKDBHB-NRFANRHFSA-N -1 3 391.512 3.553 20 0 GHADHM [O-]c1cccc(CN2CCN(c3ncccc3Cl)CC2)c1Br ZINC001140550184 1021951742 /nfs/dbraw/zinc/95/17/42/1021951742.db2.gz HAMSNLSKJSIHQM-UHFFFAOYSA-N -1 3 382.689 3.525 20 0 GHADHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cccc([O-])c2Br)C1 ZINC001140552304 1021955001 /nfs/dbraw/zinc/95/50/01/1021955001.db2.gz FUORHLOVRLJEKT-JSGCOSHPSA-N -1 3 399.329 3.890 20 0 GHADHM Cc1cc(F)c(C(=O)COC(=O)c2cccc(Br)c2[O-])cc1F ZINC000754099434 1022481201 /nfs/dbraw/zinc/48/12/01/1022481201.db2.gz QYDFEFXLKIROMQ-UHFFFAOYSA-N -1 3 385.160 3.781 20 0 GHADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1scnc1Br ZINC000754137735 1022504500 /nfs/dbraw/zinc/50/45/00/1022504500.db2.gz UBHWYDJSSHUIKG-UHFFFAOYSA-N -1 3 375.269 3.705 20 0 GHADHM O=C(OC[C@@]1(c2ccccc2)CCC(=O)NC1)c1cc2cc(Cl)sc2[n-]1 ZINC000836060994 1022588748 /nfs/dbraw/zinc/58/87/48/1022588748.db2.gz YAMOOHDPTJEENM-LJQANCHMSA-N -1 3 388.876 3.888 20 0 GHADHM Cc1sc2nc(SCc3nc(C)cc(=O)[n-]3)n(C(C)C)c(=O)c2c1C ZINC000754453091 1022713613 /nfs/dbraw/zinc/71/36/13/1022713613.db2.gz XXPDPXXKDAUTQF-UHFFFAOYSA-N -1 3 376.507 3.752 20 0 GHADHM CCN(CC)c1ccc(-c2nnc(SCc3nc(C)cc(=O)[n-]3)n2CC)cc1 ZINC000754452044 1022713777 /nfs/dbraw/zinc/71/37/77/1022713777.db2.gz TVRQJQWYPLUGFT-UHFFFAOYSA-N -1 3 398.536 3.908 20 0 GHADHM Cc1ncc(CO)c(CN2CCC[C@H]2c2cccc(Br)c2)c1[O-] ZINC001140868625 1022746334 /nfs/dbraw/zinc/74/63/34/1022746334.db2.gz BPZRYUJHDUUVTA-KRWDZBQOSA-N -1 3 377.282 3.688 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140887918 1022801959 /nfs/dbraw/zinc/80/19/59/1022801959.db2.gz JDDDJYDHVMIAPI-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140891021 1022811633 /nfs/dbraw/zinc/81/16/33/1022811633.db2.gz RGZYNUPJPINJQR-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@@H](C)C2)c1 ZINC000754872195 1022943823 /nfs/dbraw/zinc/94/38/23/1022943823.db2.gz JGPBUQYHOBSNPR-ZDUSSCGKSA-N -1 3 391.427 3.700 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc4nccnc43)nc(=O)c2c1C ZINC000755081331 1023064493 /nfs/dbraw/zinc/06/44/93/1023064493.db2.gz KSUDGZPZQMKESE-JTQLQIEISA-N -1 3 380.429 3.875 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990503 1023102434 /nfs/dbraw/zinc/10/24/34/1023102434.db2.gz CNLJQLQOVGLPAU-RTBURBONSA-N -1 3 375.415 3.982 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140993667 1023115535 /nfs/dbraw/zinc/11/55/35/1023115535.db2.gz CAIADHIABZPBSG-UHFFFAOYSA-N -1 3 394.849 3.852 20 0 GHADHM CCC[C@@H]1CN(CCOc2ccccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000836691870 1023261558 /nfs/dbraw/zinc/26/15/58/1023261558.db2.gz BOSOBOBVVNQLGQ-HXUWFJFHSA-N -1 3 382.504 3.750 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]O[C@H](CO)C(C)C)cc1 ZINC000836901228 1023447448 /nfs/dbraw/zinc/44/74/48/1023447448.db2.gz JRUBZEVEVKBVIQ-OAQYLSRUSA-N -1 3 396.487 3.841 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C(F)(F)C1 ZINC001228856532 1033137836 /nfs/dbraw/zinc/13/78/36/1033137836.db2.gz DAEZQADAWNHNPZ-MRXNPFEDSA-N -1 3 383.391 3.545 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228857657 1033139223 /nfs/dbraw/zinc/13/92/23/1033139223.db2.gz NGRDTUSZWNVFHN-PBHICJAKSA-N -1 3 379.428 3.638 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(C(F)(F)F)cc1 ZINC000756351682 1023602014 /nfs/dbraw/zinc/60/20/14/1023602014.db2.gz TUTIIWIASSAYOW-INIZCTEOSA-N -1 3 376.334 3.875 20 0 GHADHM CCCc1noc2nc(C3CC3)cc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)c12 ZINC000837434758 1024455715 /nfs/dbraw/zinc/45/57/15/1024455715.db2.gz JMPKCEQHKPYLHH-UHFFFAOYSA-N -1 3 394.431 3.783 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141302263 1024464140 /nfs/dbraw/zinc/46/41/40/1024464140.db2.gz WRDIBNUJRYDIJA-OAHLLOKOSA-N -1 3 390.484 3.879 20 0 GHADHM Cc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1NC(=O)NC(C)(C)C ZINC000837539281 1024535270 /nfs/dbraw/zinc/53/52/70/1024535270.db2.gz NFFLGFSKXTYDGQ-UHFFFAOYSA-N -1 3 398.463 3.645 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000837553520 1024549028 /nfs/dbraw/zinc/54/90/28/1024549028.db2.gz ZJGQBKCFEREJLM-GFCCVEGCSA-N -1 3 385.445 3.760 20 0 GHADHM O=C([N-]c1c(F)cc(F)c(F)c1Br)c1cn2ccnc2s1 ZINC001156813489 1033256586 /nfs/dbraw/zinc/25/65/86/1033256586.db2.gz WQCSHNPPJMBLRU-UHFFFAOYSA-N -1 3 376.157 3.828 20 0 GHADHM CCN(C(=O)c1cc([O-])cc(Br)c1)c1ccc(OC)c(OC)c1 ZINC001141477975 1025182310 /nfs/dbraw/zinc/18/23/10/1025182310.db2.gz GRWQLJQYGYYWPU-UHFFFAOYSA-N -1 3 380.238 3.839 20 0 GHADHM C[C@H]1CN(c2ccc(NCc3cccc([O-])c3Br)cc2)CCO1 ZINC000838879695 1025414133 /nfs/dbraw/zinc/41/41/33/1025414133.db2.gz JUBWRFRVIMBXIY-ZDUSSCGKSA-N -1 3 377.282 3.992 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC001161934380 1025504244 /nfs/dbraw/zinc/50/42/44/1025504244.db2.gz WXMDBWZRJZSYFA-VNHYZAJKSA-N -1 3 385.464 3.886 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c1 ZINC001161934381 1025504755 /nfs/dbraw/zinc/50/47/55/1025504755.db2.gz WXMDBWZRJZSYFA-YDHLFZDLSA-N -1 3 385.464 3.886 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC001138926464 1025593535 /nfs/dbraw/zinc/59/35/35/1025593535.db2.gz JCWYPTRTZGRSFF-LJQANCHMSA-N -1 3 375.852 3.847 20 0 GHADHM O=C(CCC1CCCCC1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001461027913 1069345013 /nfs/dbraw/zinc/34/50/13/1069345013.db2.gz VLNRTLAZKLXZDQ-INIZCTEOSA-N -1 3 382.426 3.983 20 0 GHADHM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)Nc1ccc(Br)cc1[O-] ZINC001141623191 1025932517 /nfs/dbraw/zinc/93/25/17/1025932517.db2.gz YDNZLTNIUUUPMG-JOYOIKCWSA-N -1 3 382.176 3.983 20 0 GHADHM COc1cccc(CC2CCN(Cc3cccc(OC)c3OCC(=O)[O-])CC2)c1 ZINC001139269248 1026115190 /nfs/dbraw/zinc/11/51/90/1026115190.db2.gz HNVYCTYJEUCKHH-UHFFFAOYSA-N -1 3 399.487 3.622 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC001139530786 1026389827 /nfs/dbraw/zinc/38/98/27/1026389827.db2.gz ZSHLIKVTVNSUNO-IUODEOHRSA-N -1 3 383.753 3.936 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC001164372089 1026497156 /nfs/dbraw/zinc/49/71/56/1026497156.db2.gz JVISHARLCVYSPY-LLVKDONJSA-N -1 3 380.345 3.830 20 0 GHADHM CCOC(=O)CN(Cc1ccsc1)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165167128 1026643347 /nfs/dbraw/zinc/64/33/47/1026643347.db2.gz GNHFYYZTETYWLO-UHFFFAOYSA-N -1 3 393.868 3.595 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853372 1026668657 /nfs/dbraw/zinc/66/86/57/1026668657.db2.gz BGPKDTVRMTXJQK-WOJBJXKFSA-N -1 3 391.475 3.526 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853372 1026668658 /nfs/dbraw/zinc/66/86/58/1026668658.db2.gz BGPKDTVRMTXJQK-WOJBJXKFSA-N -1 3 391.475 3.526 20 0 GHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cnc(-c2ccccc2)s1 ZINC001209824916 1027223593 /nfs/dbraw/zinc/22/35/93/1027223593.db2.gz WUBJDUJYWQMSNF-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001203207264 1027231870 /nfs/dbraw/zinc/23/18/70/1027231870.db2.gz LJLJSYLRNBFLKA-UHFFFAOYSA-N -1 3 399.310 3.975 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001209855500 1027247884 /nfs/dbraw/zinc/24/78/84/1027247884.db2.gz VKTMJNZIQJLURD-ABAIWWIYSA-N -1 3 389.304 3.751 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(OC3CCC3)c2)ccc1N ZINC001210879469 1027690374 /nfs/dbraw/zinc/69/03/74/1027690374.db2.gz AEOCBEOLDDSDMH-UHFFFAOYSA-N -1 3 398.431 3.911 20 0 GHADHM CC(=O)c1ncc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000840693930 1027731801 /nfs/dbraw/zinc/73/18/01/1027731801.db2.gz HUKOPROELAFVEY-MRVPVSSYSA-N -1 3 377.447 3.591 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001211348335 1027916278 /nfs/dbraw/zinc/91/62/78/1027916278.db2.gz OMAVJNRSUHVQJC-PIGZYNQJSA-N -1 3 389.851 3.981 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc2c1OCC2)c1cc(F)ccc1Cl ZINC001211469533 1027975419 /nfs/dbraw/zinc/97/54/19/1027975419.db2.gz IWSICVZTFYGEQM-UHFFFAOYSA-N -1 3 376.236 3.546 20 0 GHADHM O=c1cc(-c2nc(-c3ccc(F)c(Br)c3F)no2)nc(C2CC2)[n-]1 ZINC001213258893 1028073332 /nfs/dbraw/zinc/07/33/32/1028073332.db2.gz ILNNFMIVIQGPJJ-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC001213391251 1028158774 /nfs/dbraw/zinc/15/87/74/1028158774.db2.gz LRYKISHVTZWLMO-NSHDSACASA-N -1 3 392.290 3.622 20 0 GHADHM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001213401772 1028165694 /nfs/dbraw/zinc/16/56/94/1028165694.db2.gz JQJSXMUOLGOIQJ-LBPRGKRZSA-N -1 3 382.309 3.512 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC(=O)c2ccccc2C)c(-c2ccccc2)s1 ZINC001213404780 1028167996 /nfs/dbraw/zinc/16/79/96/1028167996.db2.gz MXEAUIRBDLWTSY-UHFFFAOYSA-N -1 3 386.498 3.588 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)nc1Cl ZINC001213492820 1028224324 /nfs/dbraw/zinc/22/43/24/1028224324.db2.gz IKXDUHRRHOJTAH-CABCVRRESA-N -1 3 381.929 3.714 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)s1 ZINC001213492983 1028225317 /nfs/dbraw/zinc/22/53/17/1028225317.db2.gz LPVGOIOFCBORSZ-HUUCEWRRSA-N -1 3 380.535 3.793 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)cc1 ZINC001142160114 1028269356 /nfs/dbraw/zinc/26/93/56/1028269356.db2.gz LJHMPSJWERZARL-FQEVSTJZSA-N -1 3 393.418 3.727 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cccc(I)c3F)no2)n1 ZINC001213699806 1028339821 /nfs/dbraw/zinc/33/98/21/1028339821.db2.gz XMJJBKHXYDPJBK-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1CCN(Cc2ccncc2)CC1 ZINC001142344510 1028727040 /nfs/dbraw/zinc/72/70/40/1028727040.db2.gz DFAKKCMXVAWRJI-UHFFFAOYSA-N -1 3 384.530 3.831 20 0 GHADHM COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001142393871 1028804029 /nfs/dbraw/zinc/80/40/29/1028804029.db2.gz DMFJSEUMYCQFJG-QHCPKHFHSA-N -1 3 381.472 3.593 20 0 GHADHM COC(=O)c1scnc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC001142400606 1028813798 /nfs/dbraw/zinc/81/37/98/1028813798.db2.gz MBUJTRUWTCRVGY-UHFFFAOYSA-N -1 3 395.799 3.938 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccn4c(Br)cnc4c3)no2)c1 ZINC001215155421 1029065545 /nfs/dbraw/zinc/06/55/45/1029065545.db2.gz OSRNWBPADFBJCA-UHFFFAOYSA-N -1 3 387.193 3.528 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2ccc(OC3COC3)c(C(F)(F)F)c2)no1 ZINC001215301810 1029139752 /nfs/dbraw/zinc/13/97/52/1029139752.db2.gz IYLSVBFOUFETEX-UHFFFAOYSA-N -1 3 394.305 3.611 20 0 GHADHM Cn1ccnc1Sc1ccc(F)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001142627235 1029173133 /nfs/dbraw/zinc/17/31/33/1029173133.db2.gz HVYDWGPBCWFNSH-UHFFFAOYSA-N -1 3 375.400 3.736 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001142654006 1029211591 /nfs/dbraw/zinc/21/15/91/1029211591.db2.gz SXSMOGZQMZMCPR-WMLDXEAASA-N -1 3 391.924 3.591 20 0 GHADHM CCN(CC)c1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC001215447788 1029213600 /nfs/dbraw/zinc/21/36/00/1029213600.db2.gz GQDHYZUCZOLREN-UHFFFAOYSA-N -1 3 386.477 3.621 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](n2cc(Nc3cc(F)c([O-])cc3F)cn2)C1 ZINC001215572602 1029289694 /nfs/dbraw/zinc/28/96/94/1029289694.db2.gz MTGQXMPZKINASG-GFCCVEGCSA-N -1 3 380.395 3.792 20 0 GHADHM Fc1c(CN2CCCCC2)cccc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001215675269 1029340833 /nfs/dbraw/zinc/34/08/33/1029340833.db2.gz DPGRMSBNSJAQFO-UHFFFAOYSA-N -1 3 393.426 3.648 20 0 GHADHM CC(C)COc1ccc2cc([N-]S(=O)(=O)c3ccc(N)c(N)c3)ccc2c1 ZINC001215679174 1029345277 /nfs/dbraw/zinc/34/52/77/1029345277.db2.gz HXCSXXUSOQTSLJ-UHFFFAOYSA-N -1 3 385.489 3.840 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OC(C)C)c(OC)c1)c1ccccc1N ZINC001216248181 1029582549 /nfs/dbraw/zinc/58/25/49/1029582549.db2.gz HFIMQGKJRHMRLI-UHFFFAOYSA-N -1 3 389.477 3.844 20 0 GHADHM COc1nc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)ccc1-n1cnc(C)c1 ZINC001216701835 1029735144 /nfs/dbraw/zinc/73/51/44/1029735144.db2.gz DAMWKGNAUYXLRS-UHFFFAOYSA-N -1 3 383.795 3.660 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(-c3nc(-c4cc(=O)[n-]cn4)no3)ccc21 ZINC000843027428 1029768111 /nfs/dbraw/zinc/76/81/11/1029768111.db2.gz ZYZPKGWIZMHPFP-UHFFFAOYSA-N -1 3 395.419 3.587 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2ccc(Cl)c(Br)c2)no1 ZINC001216727234 1029907319 /nfs/dbraw/zinc/90/73/19/1029907319.db2.gz VTXMVTXISPHRTC-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cccc(-c4ccccn4)n3)no2)cc1OC ZINC001216745041 1029915665 /nfs/dbraw/zinc/91/56/65/1029915665.db2.gz ROISXOIGHNAICP-UHFFFAOYSA-N -1 3 376.372 3.583 20 0 GHADHM COc1cc([O-])c(-c2nc(-c3cc4c(cc3OC)C(=O)CCC4)no2)cc1OC ZINC001216744916 1029916285 /nfs/dbraw/zinc/91/62/85/1029916285.db2.gz LREBMPCCFSLEOM-UHFFFAOYSA-N -1 3 396.399 3.654 20 0 GHADHM COc1ccc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)cc1Cl ZINC001216962073 1030033928 /nfs/dbraw/zinc/03/39/28/1030033928.db2.gz 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O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476309 1030540095 /nfs/dbraw/zinc/54/00/95/1030540095.db2.gz FSUWFUUUBNOCEI-SUMWQHHRSA-N -1 3 390.336 3.972 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)OC[C@H]3Cc4ccccc4O3)nc21 ZINC001223399198 1030553544 /nfs/dbraw/zinc/55/35/44/1030553544.db2.gz JMJIVMLVUQBPOV-BLVKFPJESA-N -1 3 390.798 3.688 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)OC[C@H]3Cc4ccccc4O3)[n-]c21 ZINC001223399198 1030553556 /nfs/dbraw/zinc/55/35/56/1030553556.db2.gz JMJIVMLVUQBPOV-BLVKFPJESA-N -1 3 390.798 3.688 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3CCCn4cc(C)nc43)nc21 ZINC001223404870 1030558006 /nfs/dbraw/zinc/55/80/06/1030558006.db2.gz XJJCBJRDJSNZOD-SCLBCKFNSA-N -1 3 392.818 3.725 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3CCCn4cc(C)nc43)[n-]c21 ZINC001223404870 1030558024 /nfs/dbraw/zinc/55/80/24/1030558024.db2.gz XJJCBJRDJSNZOD-SCLBCKFNSA-N -1 3 392.818 3.725 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001150768103 1030648062 /nfs/dbraw/zinc/64/80/62/1030648062.db2.gz IBGMQCNCCFCXOR-JTQLQIEISA-N -1 3 385.208 3.598 20 0 GHADHM C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001217985598 1030705403 /nfs/dbraw/zinc/70/54/03/1030705403.db2.gz CEKKUVNRPMMIIL-GUYCJALGSA-N -1 3 381.428 3.638 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc(-c2ccncc2)no1 ZINC001151365091 1030880154 /nfs/dbraw/zinc/88/01/54/1030880154.db2.gz RVJBXXOYBCSETE-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM O=c1c(O[C@H]2CC[NH2+]C3(CCC3)C2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218309611 1030884236 /nfs/dbraw/zinc/88/42/36/1030884236.db2.gz UCPRKWIPSKGOAJ-INIZCTEOSA-N -1 3 393.439 3.925 20 0 GHADHM Cn1cc(C(F)F)c(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001152069144 1031095512 /nfs/dbraw/zinc/09/55/12/1031095512.db2.gz XLFCMEUCWJMJGS-UHFFFAOYSA-N -1 3 385.414 3.779 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1ccc(Br)o1 ZINC000189053213 1031295734 /nfs/dbraw/zinc/29/57/34/1031295734.db2.gz KBMSYWZFFAHMQX-UHFFFAOYSA-N -1 3 399.093 3.969 20 0 GHADHM O=C1N(CC2CCCC2)CC[C@@]12CCN(Cc1cc(Cl)c([O-])cc1F)C2 ZINC001277056592 1031492706 /nfs/dbraw/zinc/49/27/06/1031492706.db2.gz IHTITJRDINGURQ-HXUWFJFHSA-N -1 3 380.891 3.799 20 0 GHADHM O=C(NC[C@H]1C=CCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001153429787 1031586808 /nfs/dbraw/zinc/58/68/08/1031586808.db2.gz VIMOBTBMAGAEIQ-VIFPVBQESA-N -1 3 381.657 3.640 20 0 GHADHM C[C@@H]1C[C@@H](CNC(=O)c2c([O-])ccc3ccccc32)CN1C(=O)OC(C)(C)C ZINC001153503697 1031620181 /nfs/dbraw/zinc/62/01/81/1031620181.db2.gz FARRAYASSCQBQR-CABCVRRESA-N -1 3 384.476 3.921 20 0 GHADHM CC(F)(F)c1c(F)cccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001219893255 1031677691 /nfs/dbraw/zinc/67/76/91/1031677691.db2.gz XUAPGZFRDBSOJP-UHFFFAOYSA-N -1 3 376.342 3.685 20 0 GHADHM CC(F)(F)c1c(F)cccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001219893255 1031677703 /nfs/dbraw/zinc/67/77/03/1031677703.db2.gz XUAPGZFRDBSOJP-UHFFFAOYSA-N -1 3 376.342 3.685 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001225899854 1031685178 /nfs/dbraw/zinc/68/51/78/1031685178.db2.gz SEXFQJIDYCJQEZ-MRXNPFEDSA-N -1 3 385.807 3.576 20 0 GHADHM COCc1cc(O[C@@H](C)c2cccc(Br)c2OC)[n-]c(=S)n1 ZINC001225939086 1031704892 /nfs/dbraw/zinc/70/48/92/1031704892.db2.gz XIJAVTMOMCYWQP-VIFPVBQESA-N -1 3 385.283 3.823 20 0 GHADHM Cc1n[nH]c2cc(NC(=O)c3c[n-]c4cc(Br)ccc4c3=O)ccc12 ZINC001153877422 1031788812 /nfs/dbraw/zinc/78/88/12/1031788812.db2.gz LZTMJIZHUNMUMA-UHFFFAOYSA-N -1 3 397.232 3.728 20 0 GHADHM O=C(NC[C@H]1CCCC(F)(F)C1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153880417 1031789988 /nfs/dbraw/zinc/78/99/88/1031789988.db2.gz GDUQAWHDTIYHEA-JTQLQIEISA-N -1 3 399.235 3.846 20 0 GHADHM O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153907802 1031804472 /nfs/dbraw/zinc/80/44/72/1031804472.db2.gz BOSMAWAYHWHVMF-UHFFFAOYSA-N -1 3 378.819 3.502 20 0 GHADHM COc1cccc2[nH]cc(CNC(=O)c3cc(=O)c4cc(Cl)ccc4[n-]3)c21 ZINC001153908480 1031805927 /nfs/dbraw/zinc/80/59/27/1031805927.db2.gz QXEUSMBCHJQJSJ-UHFFFAOYSA-N -1 3 381.819 3.601 20 0 GHADHM CSc1ccc(OCCNC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)cc1 ZINC001153909012 1031806024 /nfs/dbraw/zinc/80/60/24/1031806024.db2.gz NMQISIFBCJNMKC-UHFFFAOYSA-N -1 3 388.876 3.712 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCN(Cc2ccccc2Cl)CC1 ZINC001154025774 1031882540 /nfs/dbraw/zinc/88/25/40/1031882540.db2.gz IGYUCCZCCZPYFU-UHFFFAOYSA-N -1 3 396.874 3.862 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(C(=O)c1c(O)cc3ccccc3c1[O-])C2 ZINC001154027181 1031884496 /nfs/dbraw/zinc/88/44/96/1031884496.db2.gz UKJCSKCWQYVNSY-UHFFFAOYSA-N -1 3 397.452 3.688 20 0 GHADHM Cc1ccc(OCC(=O)Nc2ccc(I)cc2[O-])cc1C ZINC001154100873 1031927226 /nfs/dbraw/zinc/92/72/26/1031927226.db2.gz XFDNLXNWYQLXBB-UHFFFAOYSA-N -1 3 397.212 3.631 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cc(Cl)cs1 ZINC001154104703 1031928388 /nfs/dbraw/zinc/92/83/88/1031928388.db2.gz UXEPFIUHXJHZLS-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCCc3ccccc3C(F)(F)F)[n-]c2c1 ZINC001154120662 1031937665 /nfs/dbraw/zinc/93/76/65/1031937665.db2.gz QAEKBZJQVTWVAW-UHFFFAOYSA-N -1 3 390.361 3.528 20 0 GHADHM Cc1sccc1C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461829011 1069775529 /nfs/dbraw/zinc/77/55/29/1069775529.db2.gz HMLNOAJFSVNMAG-UHFFFAOYSA-N -1 3 381.866 3.518 20 0 GHADHM Cc1sccc1C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461829011 1069775534 /nfs/dbraw/zinc/77/55/34/1069775534.db2.gz HMLNOAJFSVNMAG-UHFFFAOYSA-N -1 3 381.866 3.518 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(Cc3ccccc3)CC2(F)F)c1O ZINC001226485962 1031978360 /nfs/dbraw/zinc/97/83/60/1031978360.db2.gz RDJIRLVYABUKQC-QGZVFWFLSA-N -1 3 377.387 3.589 20 0 GHADHM O=C(Nc1ccnn1-c1ccccc1C(F)(F)F)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154206567 1031984639 /nfs/dbraw/zinc/98/46/39/1031984639.db2.gz ZDSWAEJUHADHGS-UHFFFAOYSA-N -1 3 387.321 3.725 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])c2ccccc2O1 ZINC001226537278 1032000862 /nfs/dbraw/zinc/00/08/62/1032000862.db2.gz GWHNKQJYROEHBU-UYAOXDASSA-N -1 3 396.395 3.641 20 0 GHADHM C[C@H]1C[C@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CCN1C(=O)OC(C)(C)C ZINC001226550311 1032008997 /nfs/dbraw/zinc/00/89/97/1032008997.db2.gz NXXWLTLABFCRBN-WDEREUQCSA-N -1 3 394.859 3.551 20 0 GHADHM O=c1ccc2ccc([O-])c(OC[C@H]3Cc4cccc(Br)c4O3)c2o1 ZINC001226596157 1032030413 /nfs/dbraw/zinc/03/04/13/1032030413.db2.gz JQSPXUOPMMXUGZ-GFCCVEGCSA-N -1 3 389.201 3.644 20 0 GHADHM O=C(Nc1cc(-c2ccc(Cl)s2)on1)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154313039 1032038279 /nfs/dbraw/zinc/03/82/79/1032038279.db2.gz MVVCWZPVQRJZKH-UHFFFAOYSA-N -1 3 388.792 3.663 20 0 GHADHM O=C(Nc1cc(-c2ccc(Cl)s2)on1)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154313039 1032038296 /nfs/dbraw/zinc/03/82/96/1032038296.db2.gz MVVCWZPVQRJZKH-UHFFFAOYSA-N -1 3 388.792 3.663 20 0 GHADHM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O[C@H]3CCc4nccn4C3)c21 ZINC001229229970 1033355373 /nfs/dbraw/zinc/35/53/73/1033355373.db2.gz OCJXOBBTIJYFQQ-WMZOPIPTSA-N -1 3 376.412 3.689 20 0 GHADHM CC[C@H](C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1)c1ccc(Br)cc1 ZINC001157105272 1033416342 /nfs/dbraw/zinc/41/63/42/1033416342.db2.gz BZHCWLGZRKWLPA-ZDUSSCGKSA-N -1 3 394.269 3.870 20 0 GHADHM CC[C@H](C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1)c1ccc(Br)cc1 ZINC001157105272 1033416349 /nfs/dbraw/zinc/41/63/49/1033416349.db2.gz BZHCWLGZRKWLPA-ZDUSSCGKSA-N -1 3 394.269 3.870 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001157223139 1033480196 /nfs/dbraw/zinc/48/01/96/1033480196.db2.gz UTFOOQXLUXSHLL-HLLBOEOZSA-N -1 3 375.513 3.863 20 0 GHADHM C[C@H](c1ccccc1)N1C[C@H](COc2nc(=S)[n-]c3sccc32)OC1=O ZINC001229565557 1033561178 /nfs/dbraw/zinc/56/11/78/1033561178.db2.gz JHVWVNHZXRAYKX-DGCLKSJQSA-N -1 3 387.486 3.941 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229954791 1033813719 /nfs/dbraw/zinc/81/37/19/1033813719.db2.gz PKPMOEVSXGMYSC-HXUWFJFHSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229954791 1033813736 /nfs/dbraw/zinc/81/37/36/1033813736.db2.gz PKPMOEVSXGMYSC-HXUWFJFHSA-N -1 3 386.411 3.730 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001157947269 1033831772 /nfs/dbraw/zinc/83/17/72/1033831772.db2.gz OOEWDMDOQIKWMA-UHFFFAOYSA-N -1 3 387.779 3.594 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c([O-])c(OC)c1 ZINC001158237861 1033980158 /nfs/dbraw/zinc/98/01/58/1033980158.db2.gz AVCVUJGGUOXECQ-SFHVURJKSA-N -1 3 387.432 3.682 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)c2ccccn2)c1 ZINC001158364982 1034045172 /nfs/dbraw/zinc/04/51/72/1034045172.db2.gz AUXRKODZLHUGJY-HXUWFJFHSA-N -1 3 387.439 3.626 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H]1CCc2cc(OC)ccc2C1 ZINC001231089739 1034389946 /nfs/dbraw/zinc/38/99/46/1034389946.db2.gz YBYSETKJBJWHGI-CQSZACIVSA-N -1 3 377.824 3.562 20 0 GHADHM CCCC[C@H](C)N(CCCC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001159127618 1034437595 /nfs/dbraw/zinc/43/75/95/1034437595.db2.gz ZDEZGDFIQBVQTR-HNNXBMFYSA-N -1 3 389.471 3.695 20 0 GHADHM CCCC[C@H](C)N(CCCC)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001159127618 1034437605 /nfs/dbraw/zinc/43/76/05/1034437605.db2.gz ZDEZGDFIQBVQTR-HNNXBMFYSA-N -1 3 389.471 3.695 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1F)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001231460116 1034604419 /nfs/dbraw/zinc/60/44/19/1034604419.db2.gz FIJSWXKBRUBFNN-WKILWMFISA-N -1 3 380.460 3.792 20 0 GHADHM CC(=O)Nc1cc(C(=O)Nc2c(C)c(Br)ccc2[O-])ccc1C ZINC001159550965 1034659616 /nfs/dbraw/zinc/65/96/16/1034659616.db2.gz BXDOFJCZXUKMAO-UHFFFAOYSA-N -1 3 377.238 3.982 20 0 GHADHM [O-]c1ccc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1C(F)(F)F ZINC001231522704 1034674043 /nfs/dbraw/zinc/67/40/43/1034674043.db2.gz RUMUSFJODAKFPL-INIZCTEOSA-N -1 3 395.425 3.666 20 0 GHADHM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231528024 1034680533 /nfs/dbraw/zinc/68/05/33/1034680533.db2.gz WWJPQSQGAIGIAL-ZWKOTPCHSA-N -1 3 395.377 3.526 20 0 GHADHM NC(=O)c1ccc(O[C@@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)cc1 ZINC001231527872 1034680783 /nfs/dbraw/zinc/68/07/83/1034680783.db2.gz UHUJTZOFNZNOEP-MRXNPFEDSA-N -1 3 394.393 3.553 20 0 GHADHM CCCOc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1F ZINC001208027047 1034709490 /nfs/dbraw/zinc/70/94/90/1034709490.db2.gz MQBIFSFIVJNWMN-QMMMGPOBSA-N -1 3 375.326 3.634 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Br)c1 ZINC001208235794 1034824438 /nfs/dbraw/zinc/82/44/38/1034824438.db2.gz DNDTZQXIVYIYHC-UHFFFAOYSA-N -1 3 378.719 3.878 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3ccc(Cl)c([O-])c3)C2)CN1c1ccc(F)c(F)c1 ZINC001231737057 1034872241 /nfs/dbraw/zinc/87/22/41/1034872241.db2.gz KGQSTYUZQBHYAJ-HXUWFJFHSA-N -1 3 392.833 3.953 20 0 GHADHM COc1ccc(CN2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)cc1C(=O)[O-] ZINC001231749462 1034879359 /nfs/dbraw/zinc/87/93/59/1034879359.db2.gz HYVNITHSZHNKST-ZBFHGGJFSA-N -1 3 392.496 3.519 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001231791016 1034911070 /nfs/dbraw/zinc/91/10/70/1034911070.db2.gz HLVKYYULTGZGQG-NZQKXSOJSA-N -1 3 381.472 3.689 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC(c2nnc(-c3ccccc3)o2)CC1 ZINC001231792477 1034912057 /nfs/dbraw/zinc/91/20/57/1034912057.db2.gz RAPQTMXCOGQBHC-UHFFFAOYSA-N -1 3 393.443 3.580 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948822 1035101845 /nfs/dbraw/zinc/10/18/45/1035101845.db2.gz PHETVUBNWOOKPH-JKSUJKDBSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948822 1035101854 /nfs/dbraw/zinc/10/18/54/1035101854.db2.gz PHETVUBNWOOKPH-JKSUJKDBSA-N -1 3 388.258 3.840 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)c([O-])c1 ZINC001161211911 1035181035 /nfs/dbraw/zinc/18/10/35/1035181035.db2.gz SUWAHUNUTDZOGV-UHFFFAOYSA-N -1 3 379.460 3.995 20 0 GHADHM C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241441269 1035581769 /nfs/dbraw/zinc/58/17/69/1035581769.db2.gz RLJNOTFKNSOYGI-UHFFFAOYSA-N -1 3 393.527 3.591 20 0 GHADHM C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241441269 1035581780 /nfs/dbraw/zinc/58/17/80/1035581780.db2.gz RLJNOTFKNSOYGI-UHFFFAOYSA-N -1 3 393.527 3.591 20 0 GHADHM O=C(NCc1nc(-c2cccc3c(Cl)ccnc23)no1)c1ccccc1[O-] ZINC001248500048 1035917620 /nfs/dbraw/zinc/91/76/20/1035917620.db2.gz ZUYHKQLCZIHHLS-UHFFFAOYSA-N -1 3 380.791 3.574 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnc4c(c3)CCCN4)c2)cc1 ZINC001242909797 1035992990 /nfs/dbraw/zinc/99/29/90/1035992990.db2.gz ACRZNKVJBLEXLU-UHFFFAOYSA-N -1 3 379.485 3.859 20 0 GHADHM COCOc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])cc1/C=C/N(C)C ZINC001244459833 1036511623 /nfs/dbraw/zinc/51/16/23/1036511623.db2.gz YFXOGNMYPMFQNU-VOTSOKGWSA-N -1 3 384.354 3.868 20 0 GHADHM O=c1c(-c2ccc(OC(F)(F)F)cc2[O-])ccnn1Cc1ccc(F)cc1 ZINC001244466680 1036515875 /nfs/dbraw/zinc/51/58/75/1036515875.db2.gz CVELSPFQUDACFR-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM CON(C)C(=O)c1ccc(NC(=O)C(C)(C)C)c(-c2ccc([O-])cc2Cl)n1 ZINC001245078415 1036757354 /nfs/dbraw/zinc/75/73/54/1036757354.db2.gz IYZIYCYVGUUDLQ-UHFFFAOYSA-N -1 3 391.855 3.726 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2cccc(F)c2Br)no1 ZINC001247263886 1038042928 /nfs/dbraw/zinc/04/29/28/1038042928.db2.gz GCHNUDINMPLEAW-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccc([O-])c3Cl)C[C@@H]12 ZINC001232787290 1038553538 /nfs/dbraw/zinc/55/35/38/1038553538.db2.gz KXHXGPCNWKGRRA-IRLDBZIGSA-N -1 3 384.907 3.810 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3cc([O-])c(F)c(F)c3)C2)C1 ZINC001232969999 1038742163 /nfs/dbraw/zinc/74/21/63/1038742163.db2.gz FORXSZUZMDTOKM-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232970452 1038743301 /nfs/dbraw/zinc/74/33/01/1038743301.db2.gz SPHXPLMWBJELIJ-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM Cc1cccc(COCc2cnc3n2CCN(Cc2cccc([O-])c2F)[C@H]3C)n1 ZINC001233051791 1038806955 /nfs/dbraw/zinc/80/69/55/1038806955.db2.gz YBDCOJMTPJXPJY-INIZCTEOSA-N 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ZINC001253229780 1039485268 /nfs/dbraw/zinc/48/52/68/1039485268.db2.gz QILNDMABUOCLRR-XLIONFOSSA-N -1 3 375.448 3.675 20 0 GHADHM CC[C@H](C)N1CC[C@@]2(CCN(Cc3cc(F)c([O-])c(Br)c3)C2)C1=O ZINC001277830052 1039815735 /nfs/dbraw/zinc/81/57/35/1039815735.db2.gz MMPHRYBBQPKALK-KPZWWZAWSA-N -1 3 399.304 3.517 20 0 GHADHM COc1ccc(C(Oc2cccc([O-])c2C(N)=O)c2ccc(OC)cc2)cc1 ZINC001234149887 1039888136 /nfs/dbraw/zinc/88/81/36/1039888136.db2.gz RRFJWEXGPHSPBO-UHFFFAOYSA-N -1 3 379.412 3.677 20 0 GHADHM COc1cnc(Br)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC001254116476 1039994921 /nfs/dbraw/zinc/99/49/21/1039994921.db2.gz YHMYDXYSGBGJTH-UHFFFAOYSA-N -1 3 399.310 3.887 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2Br)c1 ZINC001254419870 1040220928 /nfs/dbraw/zinc/22/09/28/1040220928.db2.gz KGJACCFKDYMQNL-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM O=C(CN1CCC(Oc2nc[n-]c(=O)c2-c2ccccc2)CC1)c1cccs1 ZINC001234690502 1040223051 /nfs/dbraw/zinc/22/30/51/1040223051.db2.gz CDHCKGRGSGYARJ-UHFFFAOYSA-N -1 3 395.484 3.637 20 0 GHADHM COc1c([O-])cc2c(c1OC1CN(C(C)C)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234760099 1040289950 /nfs/dbraw/zinc/28/99/50/1040289950.db2.gz WGRNULCPDPQZQY-SFHVURJKSA-N -1 3 383.444 3.579 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCCCC1=O)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234761952 1040291438 /nfs/dbraw/zinc/29/14/38/1040291438.db2.gz HSTFXIKXDYZWNY-ROUUACIJSA-N -1 3 382.412 3.998 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC001255323423 1040946590 /nfs/dbraw/zinc/94/65/90/1040946590.db2.gz OFXGEZRRJFFXAT-UHFFFAOYSA-N -1 3 391.512 3.502 20 0 GHADHM O=c1cc(-c2nnc([C@@H]3CCN(Cc4ccccc4)C3)o2)[n-]c2c(O)cccc12 ZINC001255396808 1040984088 /nfs/dbraw/zinc/98/40/88/1040984088.db2.gz PVSWWQKPIWFKBM-OAHLLOKOSA-N -1 3 388.427 3.686 20 0 GHADHM O=c1cccc(CN2CCC3(CN(Cc4ccc(Cl)c([O-])c4Cl)C3)C2)[nH]1 ZINC001278879110 1041207109 /nfs/dbraw/zinc/20/71/09/1041207109.db2.gz BQSFFRQKCGEHCS-UHFFFAOYSA-N -1 3 394.302 3.508 20 0 GHADHM [O-]c1cc(Cl)cc(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c1 ZINC001235900401 1041419969 /nfs/dbraw/zinc/41/99/69/1041419969.db2.gz NRWUTCPMHCQPAX-UHFFFAOYSA-N -1 3 384.842 3.968 20 0 GHADHM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)cc2F)c1Br ZINC001256078166 1041512887 /nfs/dbraw/zinc/51/28/87/1041512887.db2.gz ZIEPAUXUEGPRSB-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001256125681 1041557443 /nfs/dbraw/zinc/55/74/43/1041557443.db2.gz OJKKRMKSEHETAX-GXTWGEPZSA-N -1 3 388.233 3.562 20 0 GHADHM COC(=O)N1CCC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)CC1 ZINC001236688789 1041833459 /nfs/dbraw/zinc/83/34/59/1041833459.db2.gz DNVDPQSFDCLZKP-UHFFFAOYSA-N -1 3 397.313 3.599 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCCN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237155716 1042067860 /nfs/dbraw/zinc/06/78/60/1042067860.db2.gz RJNBHENQXJGONG-MRXNPFEDSA-N -1 3 375.922 3.629 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC001237160056 1042071449 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GHADHM Cc1nc2cc([N-]S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)ccc2s1 ZINC001258978079 1044916744 /nfs/dbraw/zinc/91/67/44/1044916744.db2.gz AOIITJAKIMBJTM-KZULUSFZSA-N -1 3 378.519 3.742 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c(F)ccc(Cl)c1F)C(=O)C2 ZINC001258986305 1044919183 /nfs/dbraw/zinc/91/91/83/1044919183.db2.gz INIMPEQZEMHRJF-JDNHERCYSA-N -1 3 377.840 3.755 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1Cl)c1ccc(Br)s1 ZINC001259059377 1044942013 /nfs/dbraw/zinc/94/20/13/1044942013.db2.gz HJCCCTILXYBPQP-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1Cl ZINC001259090893 1044956444 /nfs/dbraw/zinc/95/64/44/1044956444.db2.gz DDKNFLYVYLEVQU-UHFFFAOYSA-N -1 3 375.780 3.630 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Br)c(C)c1 ZINC001259095576 1044958855 /nfs/dbraw/zinc/95/88/55/1044958855.db2.gz HEZMTVKKNAIKTN-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CN1CCCC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1=O ZINC001295287865 1044977342 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383.435 3.956 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC001312071937 1052557360 /nfs/dbraw/zinc/55/73/60/1052557360.db2.gz MZAHYUXKVGVBIQ-UHFFFAOYSA-N -1 3 378.394 3.974 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC(Cc2cccs2)C1 ZINC001312294639 1052682356 /nfs/dbraw/zinc/68/23/56/1052682356.db2.gz JMZICVWKJLHRFX-UHFFFAOYSA-N -1 3 381.295 3.600 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)C1 ZINC001342935744 1053444519 /nfs/dbraw/zinc/44/45/19/1053444519.db2.gz DQERLTUBBRMBFA-LSDHHAIUSA-N -1 3 390.557 3.516 20 0 GHADHM O=C1c2ccccc2C(=O)N1CC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC001343962262 1054146021 /nfs/dbraw/zinc/14/60/21/1054146021.db2.gz VMEGKKLGWBJKRH-UHFFFAOYSA-N -1 3 384.863 3.554 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001317860974 1054281803 /nfs/dbraw/zinc/28/18/03/1054281803.db2.gz XCYIUJSOUGNCHA-UHFFFAOYSA-N -1 3 379.445 3.667 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCCC(F)F)cc1 ZINC001344721134 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-1 3 392.385 3.502 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3COCC4)c2)n1 ZINC001355461381 1057170686 /nfs/dbraw/zinc/17/06/86/1057170686.db2.gz NMPVSBOEOSWHAQ-UHFFFAOYSA-N -1 3 375.428 3.737 20 0 GHADHM COc1ccc(-c2cc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)ccc2OC)cc1 ZINC001324716586 1057210628 /nfs/dbraw/zinc/21/06/28/1057210628.db2.gz CKOZXHPEYWTMHF-OAHLLOKOSA-N -1 3 394.349 3.748 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC001324966559 1057255194 /nfs/dbraw/zinc/25/51/94/1057255194.db2.gz KMAUZIFEJDGJFR-UHFFFAOYSA-N -1 3 391.475 3.600 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3c(F)cccc3N3CCCC3)cc2o1 ZINC001326185466 1057428288 /nfs/dbraw/zinc/42/82/88/1057428288.db2.gz LVRHWXCSUYWYRI-UHFFFAOYSA-N -1 3 375.425 3.676 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC001441341746 1058754362 /nfs/dbraw/zinc/75/43/62/1058754362.db2.gz LVCUQFOHXHWYLQ-UHFFFAOYSA-N -1 3 399.285 3.883 20 0 GHADHM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001442218296 1058934595 /nfs/dbraw/zinc/93/45/95/1058934595.db2.gz DJCSHLXTRYKBFX-MRXNPFEDSA-N -1 3 388.345 3.589 20 0 GHADHM CC(C)(CNC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(Br)c1 ZINC001442840651 1059015809 /nfs/dbraw/zinc/01/58/09/1059015809.db2.gz OZKVEJKDUNOAPZ-UHFFFAOYSA-N -1 3 391.244 3.567 20 0 GHADHM CCOc1ccc(-c2nc(CC(=O)Nc3n[n-]c(-c4ccco4)n3)cs2)cc1 ZINC001339246534 1059038216 /nfs/dbraw/zinc/03/82/16/1059038216.db2.gz CFQTWDANMSDPNL-UHFFFAOYSA-N -1 3 395.444 3.768 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NCC(C)(C)c2ccccc2Cl)c([O-])c1 ZINC001443126196 1059069182 /nfs/dbraw/zinc/06/91/82/1059069182.db2.gz SMBHFUNLLOBOJQ-UHFFFAOYSA-N -1 3 388.895 3.568 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2cccc(Cl)c2)CC1 ZINC001339362537 1059140544 /nfs/dbraw/zinc/14/05/44/1059140544.db2.gz FGDVIXKHUXBZIL-UHFFFAOYSA-N -1 3 398.898 3.806 20 0 GHADHM CC1(C)CN(C(=O)c2c([O-])cnc3c(F)cccc32)CCN1Cc1ccccc1 ZINC001443545564 1059147505 /nfs/dbraw/zinc/14/75/05/1059147505.db2.gz BAFCVQCMBFWIIU-UHFFFAOYSA-N -1 3 393.462 3.816 20 0 GHADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc(I)cc1 ZINC001445885398 1059647927 /nfs/dbraw/zinc/64/79/27/1059647927.db2.gz WKAFWRXBBUPDRD-JTQLQIEISA-N -1 3 399.203 3.556 20 0 GHADHM COc1ccc2cc(C(=O)NCc3ccc([O-])c(Br)c3)cnc2c1 ZINC001445910989 1059652445 /nfs/dbraw/zinc/65/24/45/1059652445.db2.gz LSNIPOJFPQJXOC-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446088115 1059697237 /nfs/dbraw/zinc/69/72/37/1059697237.db2.gz VEQYEIMRIIBSTQ-HXUWFJFHSA-N -1 3 385.460 3.898 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1ccc(C(C)=O)c(C)n1 ZINC001446239651 1059732999 /nfs/dbraw/zinc/73/29/99/1059732999.db2.gz KOGRBQWTCCQEAQ-UHFFFAOYSA-N -1 3 382.794 3.663 20 0 GHADHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(SCc3ccccc3)cn2)on1 ZINC001447074380 1059926188 /nfs/dbraw/zinc/92/61/88/1059926188.db2.gz VGBXPBQTVWBFOK-UHFFFAOYSA-N -1 3 383.429 3.791 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001447971716 1060076623 /nfs/dbraw/zinc/07/66/23/1060076623.db2.gz YOMICUKHHVSQDH-CHWSQXEVSA-N -1 3 380.510 3.680 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H]1Oc1ccccc1 ZINC001448162962 1060123782 /nfs/dbraw/zinc/12/37/82/1060123782.db2.gz NXRORDJBOUINBB-HQRMLTQVSA-N -1 3 383.469 3.962 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c1 ZINC001449196031 1060351451 /nfs/dbraw/zinc/35/14/51/1060351451.db2.gz QSBKGVIDUJCHCW-GOSISDBHSA-N -1 3 388.508 3.818 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccoc2COc2ccc(C=O)cc2)c1[O-] ZINC001450610133 1060632719 /nfs/dbraw/zinc/63/27/19/1060632719.db2.gz RCYCITHSBKLONJ-UHFFFAOYSA-N -1 3 379.368 3.832 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)c1[O-] ZINC001450608844 1060634226 /nfs/dbraw/zinc/63/42/26/1060634226.db2.gz OGTIOUZJVMIDKV-QGZVFWFLSA-N -1 3 390.480 3.959 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cc(I)ccc2F)c1[O-] ZINC001450611834 1060634837 /nfs/dbraw/zinc/63/48/37/1060634837.db2.gz WQTOJPDNNIRANU-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC001546025271 1060660924 /nfs/dbraw/zinc/66/09/24/1060660924.db2.gz FMWCFKFIFOJXCM-MRXNPFEDSA-N -1 3 384.407 3.688 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001450898237 1060712518 /nfs/dbraw/zinc/71/25/18/1060712518.db2.gz HJQYNISKKYSIKT-UHFFFAOYSA-N -1 3 389.390 3.974 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001450898237 1060712536 /nfs/dbraw/zinc/71/25/36/1060712536.db2.gz HJQYNISKKYSIKT-UHFFFAOYSA-N -1 3 389.390 3.974 20 0 GHADHM O=C(N[C@H]1CCc2ncsc2C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001452067901 1060894094 /nfs/dbraw/zinc/89/40/94/1060894094.db2.gz ODCAIHZVFXVKIS-KRWDZBQOSA-N -1 3 378.497 3.921 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)[n-]n1 ZINC001452096338 1060899886 /nfs/dbraw/zinc/89/98/86/1060899886.db2.gz DLDBLDZLCROJAV-UHFFFAOYSA-N -1 3 387.436 3.573 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)n[n-]1 ZINC001452096338 1060899904 /nfs/dbraw/zinc/89/99/04/1060899904.db2.gz DLDBLDZLCROJAV-UHFFFAOYSA-N -1 3 387.436 3.573 20 0 GHADHM Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)s1 ZINC001452717471 1060993170 /nfs/dbraw/zinc/99/31/70/1060993170.db2.gz CDLLFPHPRUVLMV-OAHLLOKOSA-N -1 3 383.473 3.694 20 0 GHADHM C[C@@H](COc1c(F)cccc1F)NC(=O)c1cc([O-])cc(Br)c1 ZINC001453174304 1061088421 /nfs/dbraw/zinc/08/84/21/1061088421.db2.gz VBVIHBGHORXWKG-VIFPVBQESA-N -1 3 386.192 3.630 20 0 GHADHM CC(C)Nc1cc(Br)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001453566640 1061157135 /nfs/dbraw/zinc/15/71/35/1061157135.db2.gz NKQIHDNDGGZYKV-UHFFFAOYSA-N -1 3 393.237 3.956 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(F)F)C2CCCCC2)c(Cl)c1 ZINC001453685305 1061179136 /nfs/dbraw/zinc/17/91/36/1061179136.db2.gz GPVRHWWWJQPAQM-AWEZNQCLSA-N -1 3 394.871 3.655 20 0 GHADHM Cc1c(NC(=O)[C@H]2CCCN2CC(C)C)cc(Br)cc1C(=O)[O-] ZINC001346310438 1061509937 /nfs/dbraw/zinc/50/99/37/1061509937.db2.gz CDEAWVGCQFAKEC-OAHLLOKOSA-N -1 3 383.286 3.515 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C2 ZINC001454287921 1061698845 /nfs/dbraw/zinc/69/88/45/1061698845.db2.gz QHJYMCOPCZZWCV-UHFFFAOYSA-N -1 3 393.830 3.531 20 0 GHADHM O=C(CNC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)c(F)c1 ZINC001454424733 1061774158 /nfs/dbraw/zinc/77/41/58/1061774158.db2.gz NHNAVLWHAWKBAI-UHFFFAOYSA-N -1 3 386.604 3.560 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cnc(C(C)C)s1 ZINC001454631754 1061890583 /nfs/dbraw/zinc/89/05/83/1061890583.db2.gz UVDUDMJGBPQLMY-UHFFFAOYSA-N -1 3 399.476 3.811 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC001454689550 1061910959 /nfs/dbraw/zinc/91/09/59/1061910959.db2.gz CDCYUMYIZXLFHQ-UHFFFAOYSA-N -1 3 376.250 3.670 20 0 GHADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1[n-]cnc1C(F)(F)F ZINC001546069307 1062022344 /nfs/dbraw/zinc/02/23/44/1062022344.db2.gz JMRNUVJCRGAICG-UHFFFAOYSA-N -1 3 389.259 3.885 20 0 GHADHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc[n-]c1C(F)(F)F ZINC001546069307 1062022351 /nfs/dbraw/zinc/02/23/51/1062022351.db2.gz JMRNUVJCRGAICG-UHFFFAOYSA-N -1 3 389.259 3.885 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001347014928 1062051493 /nfs/dbraw/zinc/05/14/93/1062051493.db2.gz GKOCXHBUYFHVOK-NEPJUHHUSA-N -1 3 382.798 3.895 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)n1 ZINC001347037550 1062064992 /nfs/dbraw/zinc/06/49/92/1062064992.db2.gz WSTDKXNENBNHNR-UHFFFAOYSA-N -1 3 387.914 3.718 20 0 GHADHM COc1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1OC ZINC001455707080 1062269354 /nfs/dbraw/zinc/26/93/54/1062269354.db2.gz BICCLLLWIMQQLO-UHFFFAOYSA-N -1 3 380.400 3.641 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Cl)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456935550 1062923564 /nfs/dbraw/zinc/92/35/64/1062923564.db2.gz MBDRXZBEMXRPRE-YEORSEQZSA-N -1 3 380.275 3.874 20 0 GHADHM Cc1c(Br)scc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456949691 1062927577 /nfs/dbraw/zinc/92/75/77/1062927577.db2.gz QKRTZGJTKMZSTO-XYPYZODXSA-N -1 3 396.310 3.771 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC001435933656 1063010100 /nfs/dbraw/zinc/01/01/00/1063010100.db2.gz PGBZADMTCLIRNM-AATRIKPKSA-N -1 3 384.432 3.753 20 0 GHADHM Cc1ccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c2ccccc12 ZINC001457614964 1063278708 /nfs/dbraw/zinc/27/87/08/1063278708.db2.gz DCQFDAMFOJSLJU-UHFFFAOYSA-N -1 3 386.448 3.589 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c(=O)c2c1 ZINC001457690750 1063314760 /nfs/dbraw/zinc/31/47/60/1063314760.db2.gz IPNUGOSQYUGEQZ-UHFFFAOYSA-N -1 3 392.846 3.987 20 0 GHADHM CC[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)N(C)C(=O)OC(C)(C)C ZINC001457778067 1063360535 /nfs/dbraw/zinc/36/05/35/1063360535.db2.gz GZZGLGUWSWQWOU-ZDUSSCGKSA-N -1 3 399.451 3.802 20 0 GHADHM Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001457822119 1063388833 /nfs/dbraw/zinc/38/88/33/1063388833.db2.gz NGIOGQXCAJDPQW-QFIPXVFZSA-N -1 3 399.450 3.874 20 0 GHADHM NC(=O)c1ccc(Cl)c([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)c1 ZINC001348907999 1063392069 /nfs/dbraw/zinc/39/20/69/1063392069.db2.gz HEGGXCAUSMKKLK-UHFFFAOYSA-N -1 3 384.166 3.820 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC001436411340 1063437585 /nfs/dbraw/zinc/43/75/85/1063437585.db2.gz NZUQNKLSOYZIJW-UHFFFAOYSA-N -1 3 394.431 3.547 20 0 GHADHM Cc1sc2ncn([N-]C(=O)CC(F)(F)C(F)F)c(=O)c2c1-c1ccccc1 ZINC001349379091 1063685723 /nfs/dbraw/zinc/68/57/23/1063685723.db2.gz GOZMBSMNHUXLNI-UHFFFAOYSA-N -1 3 399.369 3.794 20 0 GHADHM CCCCn1c(=O)c2ccccc2nc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC001458837587 1063945272 /nfs/dbraw/zinc/94/52/72/1063945272.db2.gz UZWOYFGQSROPSQ-UHFFFAOYSA-N -1 3 382.489 3.862 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCCSCC(C)C)c(F)cc1Br ZINC001463350437 1064273898 /nfs/dbraw/zinc/27/38/98/1064273898.db2.gz ULAGBJITVYFPEN-UHFFFAOYSA-N -1 3 398.363 3.954 20 0 GHADHM O=S(=O)([N-]C[C@H]1COC2(CCCCCC2)O1)c1cccc(Cl)c1Cl ZINC001463419975 1064334233 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OFZCTNOPYODWSY-OAHLLOKOSA-N -1 3 386.521 3.812 20 0 GHADHM O=c1cc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)c2cc(Cl)c([O-])cc2o1 ZINC001460603575 1069022049 /nfs/dbraw/zinc/02/20/49/1069022049.db2.gz DECYKFXLFRNSJA-UWJYYQICSA-N -1 3 385.847 3.850 20 0 GHADHM COc1ccccc1-c1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)on1 ZINC001470501567 1072595032 /nfs/dbraw/zinc/59/50/32/1072595032.db2.gz UXVNWVKXSFOVSL-UHFFFAOYSA-N -1 3 384.407 3.834 20 0 GHADHM CSCCCCCCC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001470798857 1072745298 /nfs/dbraw/zinc/74/52/98/1072745298.db2.gz ZYYPKWUFOQLOPP-UHFFFAOYSA-N -1 3 398.330 3.881 20 0 GHADHM CSCCCCCCC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001470798857 1072745302 /nfs/dbraw/zinc/74/53/02/1072745302.db2.gz ZYYPKWUFOQLOPP-UHFFFAOYSA-N -1 3 398.330 3.881 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471678362 1073174803 /nfs/dbraw/zinc/17/48/03/1073174803.db2.gz YBIXQJLBTJGUTC-AWEZNQCLSA-N -1 3 381.476 3.801 20 0 GHADHM CCc1sc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1Br ZINC001471677080 1073175140 /nfs/dbraw/zinc/17/51/40/1073175140.db2.gz HUKZBELIXTWSFX-UHFFFAOYSA-N -1 3 394.294 3.602 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3nc(C)cc(C)c3c2)c([O-])c1 ZINC001471877084 1073240686 /nfs/dbraw/zinc/24/06/86/1073240686.db2.gz LXRASCQEQCFIEW-UHFFFAOYSA-N -1 3 377.444 3.624 20 0 GHADHM C[C@@H](NC(=O)C1(CCCOCc2ccccc2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110922 1073337785 /nfs/dbraw/zinc/33/77/85/1073337785.db2.gz LLJIHNCQAQQQCC-CYBMUJFWSA-N -1 3 396.413 3.778 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241637 1073379891 /nfs/dbraw/zinc/37/98/91/1073379891.db2.gz VUTLYPAYXRKHAN-MRXNPFEDSA-N -1 3 393.443 3.810 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241637 1073379899 /nfs/dbraw/zinc/37/98/99/1073379899.db2.gz VUTLYPAYXRKHAN-MRXNPFEDSA-N -1 3 393.443 3.810 20 0 GHADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001472357892 1073444004 /nfs/dbraw/zinc/44/40/04/1073444004.db2.gz YGPKFEVGNQGMPH-UHFFFAOYSA-N -1 3 398.536 3.981 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3cc([O-])ccc3Cl)CC2)C1 ZINC001472442175 1073492430 /nfs/dbraw/zinc/49/24/30/1073492430.db2.gz VBTNZTCJMPMJDA-GFCCVEGCSA-N -1 3 380.872 3.565 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cnn1-c1ccccc1F ZINC001472533519 1073535491 /nfs/dbraw/zinc/53/54/91/1073535491.db2.gz HFQQPXRCAQQDBH-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC001472572350 1073556720 /nfs/dbraw/zinc/55/67/20/1073556720.db2.gz FTTFXGQRCSTYND-INIZCTEOSA-N -1 3 396.874 3.851 20 0 GHADHM COc1ccc([C@@H]2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)cc1 ZINC001546195177 1073764772 /nfs/dbraw/zinc/76/47/72/1073764772.db2.gz DLVYMHZBXUWLKZ-CQSZACIVSA-N -1 3 382.847 3.820 20 0 GHADHM Cn1ccnc1[C@@H](NCc1cccc([O-])c1Br)c1ccc(F)cc1 ZINC001473922800 1074204671 /nfs/dbraw/zinc/20/46/71/1074204671.db2.gz KGCDSNQSHMGQCE-KRWDZBQOSA-N -1 3 390.256 3.907 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cnc(CC(C)C)s2)n[n-]1 ZINC001474606121 1074481325 /nfs/dbraw/zinc/48/13/25/1074481325.db2.gz FJYBYJLPHRWJFT-AWEZNQCLSA-N -1 3 379.530 3.513 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc(CC(C)C)s2)[n-]1 ZINC001474606121 1074481328 /nfs/dbraw/zinc/48/13/28/1074481328.db2.gz FJYBYJLPHRWJFT-AWEZNQCLSA-N -1 3 379.530 3.513 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cnc(CC(C)C)s2)n1 ZINC001474606121 1074481333 /nfs/dbraw/zinc/48/13/33/1074481333.db2.gz FJYBYJLPHRWJFT-AWEZNQCLSA-N -1 3 379.530 3.513 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)c1 ZINC001474788350 1074563062 /nfs/dbraw/zinc/56/30/62/1074563062.db2.gz LYDBIYHQPPYQQK-KRWDZBQOSA-N -1 3 379.453 3.678 20 0 GHADHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)cc1 ZINC001474842701 1074589147 /nfs/dbraw/zinc/58/91/47/1074589147.db2.gz JBTAWLDDKJEJLR-UHFFFAOYSA-N -1 3 399.459 3.673 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cscc2Br)o1 ZINC001474853677 1074594609 /nfs/dbraw/zinc/59/46/09/1074594609.db2.gz YTVVSSLORFBWCN-WCBMZHEXSA-N -1 3 376.297 3.706 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC001475074563 1074725744 /nfs/dbraw/zinc/72/57/44/1074725744.db2.gz LAJGRVAUUABBDM-UHFFFAOYSA-N -1 3 399.921 3.936 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC001475205950 1074785004 /nfs/dbraw/zinc/78/50/04/1074785004.db2.gz ZGPHXBXUSQUDKS-UHFFFAOYSA-N -1 3 396.734 3.826 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1csc(-c2ccc(Br)cc2)n1 ZINC001475245244 1074802602 /nfs/dbraw/zinc/80/26/02/1074802602.db2.gz MTYMTPWBQHMFMG-QWHCGFSZSA-N -1 3 399.335 3.649 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1cc(F)cc(F)c1 ZINC001475284691 1074821794 /nfs/dbraw/zinc/82/17/94/1074821794.db2.gz BMUAUKDLNQMHSE-UHFFFAOYSA-N -1 3 393.814 3.893 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCCc2c[nH]c3ccc(F)cc23)cc1F ZINC001475294770 1074825189 /nfs/dbraw/zinc/82/51/89/1074825189.db2.gz ULZADAWSLGYGLS-UHFFFAOYSA-N -1 3 398.406 3.505 20 0 GHADHM CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OC(C)(C)C ZINC001475417779 1074867209 /nfs/dbraw/zinc/86/72/09/1074867209.db2.gz USACOUSHEMDSNS-LBPRGKRZSA-N -1 3 393.908 3.761 20 0 GHADHM C[Si](C)(C)c1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC001475504805 1074900088 /nfs/dbraw/zinc/90/00/88/1074900088.db2.gz RDDIYJJCOYFQSF-UHFFFAOYSA-N -1 3 385.964 3.545 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCCCC1 ZINC001475532811 1074906418 /nfs/dbraw/zinc/90/64/18/1074906418.db2.gz CTQFQXGTDIOWRF-ZDUSSCGKSA-N -1 3 399.406 3.598 20 0 GHADHM Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001475583345 1074920504 /nfs/dbraw/zinc/92/05/04/1074920504.db2.gz NOZFCLJQGPSMTD-UHFFFAOYSA-N -1 3 391.798 3.828 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)[C@@H]2CCCCO2)c(-c2ccccc2)s1 ZINC001475603506 1074925063 /nfs/dbraw/zinc/92/50/63/1074925063.db2.gz CJKISVCVXSOUFP-HNNXBMFYSA-N -1 3 380.535 3.745 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1F ZINC001475650120 1074992956 /nfs/dbraw/zinc/99/29/56/1074992956.db2.gz XDOINIOOISQUGH-UHFFFAOYSA-N -1 3 397.777 3.697 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC001475669662 1074996759 /nfs/dbraw/zinc/99/67/59/1074996759.db2.gz QPCKYMAPWXWHGJ-GOEBONIOSA-N -1 3 389.370 3.597 20 0 GHADHM CCOC(=O)[C@H](C[C@@H](C)CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001475681640 1074999185 /nfs/dbraw/zinc/99/91/85/1074999185.db2.gz XEQSYFALGQGSBN-JQWIXIFHSA-N -1 3 382.309 3.640 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCS1 ZINC001475728039 1075010217 /nfs/dbraw/zinc/01/02/17/1075010217.db2.gz MMHQJCHAAQOKKH-VIFPVBQESA-N -1 3 376.956 3.902 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC001476026986 1075071280 /nfs/dbraw/zinc/07/12/80/1075071280.db2.gz DHKPLAUZEVXMCJ-CYBMUJFWSA-N -1 3 386.839 3.766 20 0 GHADHM CCCCSCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000736462456 598830359 /nfs/dbraw/zinc/83/03/59/598830359.db2.gz FZAJKRCCOLBYFV-UHFFFAOYSA-N -1 3 375.542 3.775 20 0 GHADHM CCCCSCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000736462456 598830360 /nfs/dbraw/zinc/83/03/60/598830360.db2.gz FZAJKRCCOLBYFV-UHFFFAOYSA-N -1 3 375.542 3.775 20 0 GHADHM O=C(Cc1ccccc1F)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737974340 598836062 /nfs/dbraw/zinc/83/60/62/598836062.db2.gz NHIFUHYFLXFACM-UHFFFAOYSA-N -1 3 393.447 3.593 20 0 GHADHM Cc1ccc(OCc2nc(CNCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000737365967 598838032 /nfs/dbraw/zinc/83/80/32/598838032.db2.gz MPOIWJQFDCGLDW-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM Cc1ccc(OCc2nc(CNCc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000737365967 598838033 /nfs/dbraw/zinc/83/80/33/598838033.db2.gz MPOIWJQFDCGLDW-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737061760 598858572 /nfs/dbraw/zinc/85/85/72/598858572.db2.gz DSQGEQHNYCFMSI-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737061760 598858573 /nfs/dbraw/zinc/85/85/73/598858573.db2.gz DSQGEQHNYCFMSI-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM CC(C)(C)c1cccc(OCCNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735652869 598860617 /nfs/dbraw/zinc/86/06/17/598860617.db2.gz WJADNBQCLAJMFR-UHFFFAOYSA-N -1 3 396.520 3.530 20 0 GHADHM CC(C)(C)c1cccc(OCCNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735652869 598860619 /nfs/dbraw/zinc/86/06/19/598860619.db2.gz WJADNBQCLAJMFR-UHFFFAOYSA-N -1 3 396.520 3.530 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCCC1 ZINC000736120389 598890353 /nfs/dbraw/zinc/89/03/53/598890353.db2.gz ZCYSWHFEWQQHID-ZDUSSCGKSA-N -1 3 396.520 3.973 20 0 GHADHM CC(C)Cc1noc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000735851385 598900428 /nfs/dbraw/zinc/90/04/28/598900428.db2.gz SAEGLITVGCQYOX-UHFFFAOYSA-N -1 3 393.476 3.803 20 0 GHADHM CC(C)Cc1noc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000735851385 598900430 /nfs/dbraw/zinc/90/04/30/598900430.db2.gz SAEGLITVGCQYOX-UHFFFAOYSA-N -1 3 393.476 3.803 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(COc2cccc(F)c2)c1 ZINC000510830539 598900879 /nfs/dbraw/zinc/90/08/79/598900879.db2.gz KXUGWHXTZZDKSE-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(COc2cccc(F)c2)c1 ZINC000510830539 598900880 /nfs/dbraw/zinc/90/08/80/598900880.db2.gz KXUGWHXTZZDKSE-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736451425 598901811 /nfs/dbraw/zinc/90/18/11/598901811.db2.gz MUZVINRAYCQQFI-CQSZACIVSA-N -1 3 396.520 3.716 20 0 GHADHM CCCCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736451425 598901813 /nfs/dbraw/zinc/90/18/13/598901813.db2.gz MUZVINRAYCQQFI-CQSZACIVSA-N -1 3 396.520 3.716 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736313699 598901901 /nfs/dbraw/zinc/90/19/01/598901901.db2.gz ITKSNOFAWFLUNS-CYBMUJFWSA-N -1 3 396.520 3.714 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736313699 598901903 /nfs/dbraw/zinc/90/19/03/598901903.db2.gz ITKSNOFAWFLUNS-CYBMUJFWSA-N -1 3 396.520 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2c(Cl)cccc2C1 ZINC000738152124 598904134 /nfs/dbraw/zinc/90/41/34/598904134.db2.gz OFRANUWEAOPGMK-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2c(Cl)cccc2C1 ZINC000738152124 598904136 /nfs/dbraw/zinc/90/41/36/598904136.db2.gz OFRANUWEAOPGMK-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736354213 598907208 /nfs/dbraw/zinc/90/72/08/598907208.db2.gz ZXIXYLOPHYGFLW-GWCFXTLKSA-N -1 3 391.884 3.616 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CCCCCC1 ZINC000738113591 598907413 /nfs/dbraw/zinc/90/74/13/598907413.db2.gz YWBBRJLIMIVFPY-UHFFFAOYSA-N -1 3 382.493 3.681 20 0 GHADHM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737661643 598911620 /nfs/dbraw/zinc/91/16/20/598911620.db2.gz OKUMJKDRYQVCRE-YGRLFVJLSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737661643 598911622 /nfs/dbraw/zinc/91/16/22/598911622.db2.gz OKUMJKDRYQVCRE-YGRLFVJLSA-N -1 3 388.859 3.502 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736266196 598920025 /nfs/dbraw/zinc/92/00/25/598920025.db2.gz GSZJIUXBDWKCTN-CYBMUJFWSA-N -1 3 397.508 3.710 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736266196 598920027 /nfs/dbraw/zinc/92/00/27/598920027.db2.gz GSZJIUXBDWKCTN-CYBMUJFWSA-N -1 3 397.508 3.710 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000736739845 598923100 /nfs/dbraw/zinc/92/31/00/598923100.db2.gz UWNGBOZMKJSKIY-OAHLLOKOSA-N -1 3 382.855 3.541 20 0 GHADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000736739845 598923102 /nfs/dbraw/zinc/92/31/02/598923102.db2.gz UWNGBOZMKJSKIY-OAHLLOKOSA-N -1 3 382.855 3.541 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000736366279 598924735 /nfs/dbraw/zinc/92/47/35/598924735.db2.gz ZBIRNVPSUHPUQU-ZDUSSCGKSA-N -1 3 390.900 3.874 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000736366279 598924737 /nfs/dbraw/zinc/92/47/37/598924737.db2.gz ZBIRNVPSUHPUQU-ZDUSSCGKSA-N -1 3 390.900 3.874 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000736364157 598924867 /nfs/dbraw/zinc/92/48/67/598924867.db2.gz RYESVRBNKOCFLT-LBPRGKRZSA-N -1 3 394.863 3.671 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000736364157 598924868 /nfs/dbraw/zinc/92/48/68/598924868.db2.gz RYESVRBNKOCFLT-LBPRGKRZSA-N -1 3 394.863 3.671 20 0 GHADHM CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCCC1 ZINC000736222961 598927432 /nfs/dbraw/zinc/92/74/32/598927432.db2.gz LEIGIBIMLHAXHU-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM CC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCCC1 ZINC000736222961 598927434 /nfs/dbraw/zinc/92/74/34/598927434.db2.gz LEIGIBIMLHAXHU-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000736124675 598927726 /nfs/dbraw/zinc/92/77/26/598927726.db2.gz VUCCELUGPPBQFT-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000736124675 598927727 /nfs/dbraw/zinc/92/77/27/598927727.db2.gz VUCCELUGPPBQFT-OAHLLOKOSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc2ccccc2n1C(F)F ZINC000736137046 598935654 /nfs/dbraw/zinc/93/56/54/598935654.db2.gz JXXQFNBHDVFGSD-QMMMGPOBSA-N -1 3 390.785 3.833 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc2ccccc2n1C(F)F ZINC000736137046 598935656 /nfs/dbraw/zinc/93/56/56/598935656.db2.gz JXXQFNBHDVFGSD-QMMMGPOBSA-N -1 3 390.785 3.833 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(Nc2ccccc2)s1 ZINC000737565727 598935983 /nfs/dbraw/zinc/93/59/83/598935983.db2.gz PRXVYMADZJQFEC-UHFFFAOYSA-N -1 3 388.869 3.661 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(Nc2ccccc2)s1 ZINC000737565727 598935985 /nfs/dbraw/zinc/93/59/85/598935985.db2.gz PRXVYMADZJQFEC-UHFFFAOYSA-N -1 3 388.869 3.661 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000737558923 598936178 /nfs/dbraw/zinc/93/61/78/598936178.db2.gz RWCVETAFTROEGM-UHFFFAOYSA-N -1 3 380.843 3.735 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000737558923 598936180 /nfs/dbraw/zinc/93/61/80/598936180.db2.gz RWCVETAFTROEGM-UHFFFAOYSA-N -1 3 380.843 3.735 20 0 GHADHM CCN(Cc1cccc(Br)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736557788 598939981 /nfs/dbraw/zinc/93/99/81/598939981.db2.gz AVROADLGULXHIQ-UHFFFAOYSA-N -1 3 393.676 3.704 20 0 GHADHM CCN(Cc1cccc(Br)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736557788 598939982 /nfs/dbraw/zinc/93/99/82/598939982.db2.gz AVROADLGULXHIQ-UHFFFAOYSA-N -1 3 393.676 3.704 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(F)c(Cl)c1 ZINC000737032488 598938278 /nfs/dbraw/zinc/93/82/78/598938278.db2.gz MHABGQQAXHIXQB-UHFFFAOYSA-N -1 3 380.832 3.839 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(F)c(Cl)c1 ZINC000737032488 598938279 /nfs/dbraw/zinc/93/82/79/598938279.db2.gz MHABGQQAXHIXQB-UHFFFAOYSA-N -1 3 380.832 3.839 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000736469797 598945341 /nfs/dbraw/zinc/94/53/41/598945341.db2.gz DHLAJYBWBVKRSM-GJZGRUSLSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000736469797 598945342 /nfs/dbraw/zinc/94/53/42/598945342.db2.gz DHLAJYBWBVKRSM-GJZGRUSLSA-N -1 3 389.525 3.518 20 0 GHADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736586265 598960750 /nfs/dbraw/zinc/96/07/50/598960750.db2.gz NBJUJQHNZBQQQP-NSHDSACASA-N -1 3 387.827 3.676 20 0 GHADHM CCOC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736586265 598960751 /nfs/dbraw/zinc/96/07/51/598960751.db2.gz NBJUJQHNZBQQQP-NSHDSACASA-N -1 3 387.827 3.676 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000736714296 598961424 /nfs/dbraw/zinc/96/14/24/598961424.db2.gz WUIGSWCLTZTQTN-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000736714296 598961426 /nfs/dbraw/zinc/96/14/26/598961426.db2.gz WUIGSWCLTZTQTN-ZDUSSCGKSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000735751743 598965755 /nfs/dbraw/zinc/96/57/55/598965755.db2.gz WZZOSDFEHUPSCM-LBPRGKRZSA-N -1 3 394.426 3.758 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000735751743 598965757 /nfs/dbraw/zinc/96/57/57/598965757.db2.gz WZZOSDFEHUPSCM-LBPRGKRZSA-N -1 3 394.426 3.758 20 0 GHADHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000115053664 598978889 /nfs/dbraw/zinc/97/88/89/598978889.db2.gz MBFCQBDFIDKRHZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000115053664 598978891 /nfs/dbraw/zinc/97/88/91/598978891.db2.gz MBFCQBDFIDKRHZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000735819090 598987316 /nfs/dbraw/zinc/98/73/16/598987316.db2.gz RPONNTDUHAEPNV-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736329828 598997079 /nfs/dbraw/zinc/99/70/79/598997079.db2.gz KUBMLURNZPZYFT-LSDHHAIUSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736329828 598997080 /nfs/dbraw/zinc/99/70/80/598997080.db2.gz KUBMLURNZPZYFT-LSDHHAIUSA-N -1 3 379.464 3.610 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccnc1SCC1CCCCC1 ZINC000738149862 599003742 /nfs/dbraw/zinc/00/37/42/599003742.db2.gz IOFLHYCHCWPYIC-UHFFFAOYSA-N -1 3 395.492 3.581 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccnc1SCC1CCCCC1 ZINC000738149862 599003744 /nfs/dbraw/zinc/00/37/44/599003744.db2.gz IOFLHYCHCWPYIC-UHFFFAOYSA-N -1 3 395.492 3.581 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391182 599018863 /nfs/dbraw/zinc/01/88/63/599018863.db2.gz XFEZFOYUVDHUQW-OAHLLOKOSA-N -1 3 381.505 3.594 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391182 599018865 /nfs/dbraw/zinc/01/88/65/599018865.db2.gz XFEZFOYUVDHUQW-OAHLLOKOSA-N -1 3 381.505 3.594 20 0 GHADHM O=C(O[C@H]1CCc2cc(Br)ccc21)c1sccc1-c1nnn[n-]1 ZINC000738217980 599027501 /nfs/dbraw/zinc/02/75/01/599027501.db2.gz BULHIJJNAIUXJG-LBPRGKRZSA-N -1 3 391.250 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000130999662 599034112 /nfs/dbraw/zinc/03/41/12/599034112.db2.gz PVPNFHYPXDAHCL-KBPBESRZSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000130999662 599034114 /nfs/dbraw/zinc/03/41/14/599034114.db2.gz PVPNFHYPXDAHCL-KBPBESRZSA-N -1 3 389.337 3.508 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822350797 599036629 /nfs/dbraw/zinc/03/66/29/599036629.db2.gz HFPUSNIXZVXOQN-QGZVFWFLSA-N -1 3 389.381 3.772 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822350797 599036633 /nfs/dbraw/zinc/03/66/33/599036633.db2.gz HFPUSNIXZVXOQN-QGZVFWFLSA-N -1 3 389.381 3.772 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736479883 599049196 /nfs/dbraw/zinc/04/91/96/599049196.db2.gz KZJAMPHMZUYAAF-UHFFFAOYSA-N -1 3 392.385 3.706 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736479883 599049201 /nfs/dbraw/zinc/04/92/01/599049201.db2.gz KZJAMPHMZUYAAF-UHFFFAOYSA-N -1 3 392.385 3.706 20 0 GHADHM O=C(c1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1)N1CCCCC1 ZINC000738274257 599066831 /nfs/dbraw/zinc/06/68/31/599066831.db2.gz RAFWZYNMCDRJDO-UHFFFAOYSA-N -1 3 397.479 3.924 20 0 GHADHM O=C(c1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1)N1CCCCC1 ZINC000738274257 599066834 /nfs/dbraw/zinc/06/68/34/599066834.db2.gz RAFWZYNMCDRJDO-UHFFFAOYSA-N -1 3 397.479 3.924 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000822761594 599070349 /nfs/dbraw/zinc/07/03/49/599070349.db2.gz QBTGNEJOOLMUHX-UHFFFAOYSA-N -1 3 389.316 3.580 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000822761594 599070352 /nfs/dbraw/zinc/07/03/52/599070352.db2.gz QBTGNEJOOLMUHX-UHFFFAOYSA-N -1 3 389.316 3.580 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735904567 599071164 /nfs/dbraw/zinc/07/11/64/599071164.db2.gz QMDNERYXVYXXMP-UKRRQHHQSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735904567 599071168 /nfs/dbraw/zinc/07/11/68/599071168.db2.gz QMDNERYXVYXXMP-UKRRQHHQSA-N -1 3 399.401 3.674 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000821347559 599072514 /nfs/dbraw/zinc/07/25/14/599072514.db2.gz YBXRDTCZEJQGTH-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000821347559 599072518 /nfs/dbraw/zinc/07/25/18/599072518.db2.gz YBXRDTCZEJQGTH-JTQLQIEISA-N -1 3 378.889 3.711 20 0 GHADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736350190 599077727 /nfs/dbraw/zinc/07/77/27/599077727.db2.gz KNRQBWJQABMETP-HNAYVOBHSA-N -1 3 393.491 3.507 20 0 GHADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736350190 599077730 /nfs/dbraw/zinc/07/77/30/599077730.db2.gz KNRQBWJQABMETP-HNAYVOBHSA-N -1 3 393.491 3.507 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737331607 599083145 /nfs/dbraw/zinc/08/31/45/599083145.db2.gz QCLUUROJASFTIY-JXFKEZNVSA-N -1 3 391.475 3.696 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736245647 599086806 /nfs/dbraw/zinc/08/68/06/599086806.db2.gz UEULPQRJCHWZQB-GJZGRUSLSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736245647 599086808 /nfs/dbraw/zinc/08/68/08/599086808.db2.gz UEULPQRJCHWZQB-GJZGRUSLSA-N -1 3 395.463 3.689 20 0 GHADHM Cn1ccnc1C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000822699098 599091384 /nfs/dbraw/zinc/09/13/84/599091384.db2.gz OBEKPTICFYCYCG-IBGZPJMESA-N -1 3 396.458 3.544 20 0 GHADHM Cn1ccnc1C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000822699098 599091386 /nfs/dbraw/zinc/09/13/86/599091386.db2.gz OBEKPTICFYCYCG-IBGZPJMESA-N -1 3 396.458 3.544 20 0 GHADHM Cn1ccnc1C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000822699099 599091669 /nfs/dbraw/zinc/09/16/69/599091669.db2.gz OBEKPTICFYCYCG-LJQANCHMSA-N -1 3 396.458 3.544 20 0 GHADHM Cn1ccnc1C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000822699099 599091671 /nfs/dbraw/zinc/09/16/71/599091671.db2.gz OBEKPTICFYCYCG-LJQANCHMSA-N -1 3 396.458 3.544 20 0 GHADHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738024828 599092432 /nfs/dbraw/zinc/09/24/32/599092432.db2.gz ZAZOHHMYAOUCDG-VGSWGCGISA-N -1 3 395.466 3.895 20 0 GHADHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738024828 599092434 /nfs/dbraw/zinc/09/24/34/599092434.db2.gz ZAZOHHMYAOUCDG-VGSWGCGISA-N -1 3 395.466 3.895 20 0 GHADHM c1ccc2c(c1)CCO[C@H]2CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738443075 599100605 /nfs/dbraw/zinc/10/06/05/599100605.db2.gz VGDQYHNPZYHYBA-IBGZPJMESA-N -1 3 382.489 3.683 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000737389119 599103317 /nfs/dbraw/zinc/10/33/17/599103317.db2.gz IOIVXTWCCABBLX-LPHOPBHVSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000737389119 599103320 /nfs/dbraw/zinc/10/33/20/599103320.db2.gz IOIVXTWCCABBLX-LPHOPBHVSA-N -1 3 391.475 3.615 20 0 GHADHM COCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989277 599115974 /nfs/dbraw/zinc/11/59/74/599115974.db2.gz XZHZRTQPKPSTCH-UHFFFAOYSA-N -1 3 399.454 3.827 20 0 GHADHM COCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989277 599115975 /nfs/dbraw/zinc/11/59/75/599115975.db2.gz XZHZRTQPKPSTCH-UHFFFAOYSA-N -1 3 399.454 3.827 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737218483 599118167 /nfs/dbraw/zinc/11/81/67/599118167.db2.gz JMWRAQDDXVQWLJ-HNNXBMFYSA-N -1 3 378.480 3.562 20 0 GHADHM CCO[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCCC2 ZINC000736615492 599119775 /nfs/dbraw/zinc/11/97/75/599119775.db2.gz YIBHZZSKLJVCNW-UONOGXRCSA-N -1 3 396.417 3.820 20 0 GHADHM CCO[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCCC2 ZINC000736615492 599119777 /nfs/dbraw/zinc/11/97/77/599119777.db2.gz YIBHZZSKLJVCNW-UONOGXRCSA-N -1 3 396.417 3.820 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737218483 599118170 /nfs/dbraw/zinc/11/81/70/599118170.db2.gz JMWRAQDDXVQWLJ-HNNXBMFYSA-N -1 3 378.480 3.562 20 0 GHADHM COc1ccc([C@H]2CCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)C2)cc1 ZINC000737077494 599123627 /nfs/dbraw/zinc/12/36/27/599123627.db2.gz VAYNFLONKJCYTD-INIZCTEOSA-N -1 3 386.459 3.726 20 0 GHADHM COc1ccc([C@H]2CCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)C2)cc1 ZINC000737077494 599123629 /nfs/dbraw/zinc/12/36/29/599123629.db2.gz VAYNFLONKJCYTD-INIZCTEOSA-N -1 3 386.459 3.726 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821477088 599140018 /nfs/dbraw/zinc/14/00/18/599140018.db2.gz XWAOITXQDCPHND-UHFFFAOYSA-N -1 3 387.443 3.961 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821477088 599140020 /nfs/dbraw/zinc/14/00/20/599140020.db2.gz XWAOITXQDCPHND-UHFFFAOYSA-N -1 3 387.443 3.961 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000819877444 599150437 /nfs/dbraw/zinc/15/04/37/599150437.db2.gz WCSNHCFLMFLCOJ-JTQLQIEISA-N -1 3 377.326 3.796 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nnn[n-]1 ZINC000737082179 599156237 /nfs/dbraw/zinc/15/62/37/599156237.db2.gz IXZKEOCEQKZTQP-BJMVGYQFSA-N -1 3 388.765 3.767 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nn[n-]n1 ZINC000737082179 599156240 /nfs/dbraw/zinc/15/62/40/599156240.db2.gz IXZKEOCEQKZTQP-BJMVGYQFSA-N -1 3 388.765 3.767 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000737559916 599158875 /nfs/dbraw/zinc/15/88/75/599158875.db2.gz DGGXRSBVDNHSCG-UWVGGRQHSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000737559916 599158876 /nfs/dbraw/zinc/15/88/76/599158876.db2.gz DGGXRSBVDNHSCG-UWVGGRQHSA-N -1 3 375.404 3.565 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820005853 599162842 /nfs/dbraw/zinc/16/28/42/599162842.db2.gz YBSNQKWZBSZVPM-UHFFFAOYSA-N -1 3 397.479 3.994 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820005853 599162843 /nfs/dbraw/zinc/16/28/43/599162843.db2.gz YBSNQKWZBSZVPM-UHFFFAOYSA-N -1 3 397.479 3.994 20 0 GHADHM Fc1cc(F)c(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000737644774 599165134 /nfs/dbraw/zinc/16/51/34/599165134.db2.gz LTZAGCCTPFJAQU-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM Fc1cc(F)c(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000737644774 599165136 /nfs/dbraw/zinc/16/51/36/599165136.db2.gz LTZAGCCTPFJAQU-UHFFFAOYSA-N -1 3 390.350 3.626 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738185562 599166088 /nfs/dbraw/zinc/16/60/88/599166088.db2.gz ZOEGTTAAMFGXIT-UHFFFAOYSA-N -1 3 395.488 3.531 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738185562 599166089 /nfs/dbraw/zinc/16/60/89/599166089.db2.gz ZOEGTTAAMFGXIT-UHFFFAOYSA-N -1 3 395.488 3.531 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820881905 599167965 /nfs/dbraw/zinc/16/79/65/599167965.db2.gz FKLHMLLBVOWJRG-CFRMROPGSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820881905 599167967 /nfs/dbraw/zinc/16/79/67/599167967.db2.gz FKLHMLLBVOWJRG-CFRMROPGSA-N -1 3 395.438 3.513 20 0 GHADHM FC(F)(F)Cc1ccccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737626121 599176579 /nfs/dbraw/zinc/17/65/79/599176579.db2.gz IJAYPETXCLUOST-UHFFFAOYSA-N -1 3 378.383 3.780 20 0 GHADHM FC(F)(F)Cc1ccccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737626121 599176581 /nfs/dbraw/zinc/17/65/81/599176581.db2.gz IJAYPETXCLUOST-UHFFFAOYSA-N -1 3 378.383 3.780 20 0 GHADHM Cn1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)ccc1-c1ccccc1 ZINC000737594930 599178314 /nfs/dbraw/zinc/17/83/14/599178314.db2.gz YSVGDFYHDZQUGS-UHFFFAOYSA-N -1 3 390.472 3.675 20 0 GHADHM Cn1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)ccc1-c1ccccc1 ZINC000737594930 599178316 /nfs/dbraw/zinc/17/83/16/599178316.db2.gz YSVGDFYHDZQUGS-UHFFFAOYSA-N -1 3 390.472 3.675 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000735903071 599184782 /nfs/dbraw/zinc/18/47/82/599184782.db2.gz DSBMOAFMGAZJOL-OAHLLOKOSA-N -1 3 395.488 3.872 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000735903071 599184783 /nfs/dbraw/zinc/18/47/83/599184783.db2.gz DSBMOAFMGAZJOL-OAHLLOKOSA-N -1 3 395.488 3.872 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732027 599185074 /nfs/dbraw/zinc/18/50/74/599185074.db2.gz LJKWOLMUXBSZPO-HOTGVXAUSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732027 599185077 /nfs/dbraw/zinc/18/50/77/599185077.db2.gz LJKWOLMUXBSZPO-HOTGVXAUSA-N -1 3 388.258 3.940 20 0 GHADHM COCCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736978444 599189307 /nfs/dbraw/zinc/18/93/07/599189307.db2.gz JRTJVOBEVDRWSF-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM COCCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736978444 599189309 /nfs/dbraw/zinc/18/93/09/599189309.db2.gz JRTJVOBEVDRWSF-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1Cc2ccccc21 ZINC000738208226 599186826 /nfs/dbraw/zinc/18/68/26/599186826.db2.gz KTLLXBFVHZALNZ-INIZCTEOSA-N -1 3 399.479 3.972 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1Cc2ccccc21 ZINC000738208226 599186827 /nfs/dbraw/zinc/18/68/27/599186827.db2.gz KTLLXBFVHZALNZ-INIZCTEOSA-N -1 3 399.479 3.972 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820020290 599210971 /nfs/dbraw/zinc/21/09/71/599210971.db2.gz DDIVXEJHKCZQDK-YPNIWSFNSA-N -1 3 393.466 3.745 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820020290 599210973 /nfs/dbraw/zinc/21/09/73/599210973.db2.gz DDIVXEJHKCZQDK-YPNIWSFNSA-N -1 3 393.466 3.745 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccc(F)cc3-c3nnn[n-]3)ccc2o1 ZINC000821668641 599223032 /nfs/dbraw/zinc/22/30/32/599223032.db2.gz BRRPRCYPXRPXEX-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccc(F)cc3-c3nn[n-]n3)ccc2o1 ZINC000821668641 599223034 /nfs/dbraw/zinc/22/30/34/599223034.db2.gz BRRPRCYPXRPXEX-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM COC(=O)c1cc2cc(CSCc3cc(-c4nnn[n-]4)ccc3F)ccc2o1 ZINC000821669035 599225854 /nfs/dbraw/zinc/22/58/54/599225854.db2.gz VMJAPAYWZLITNQ-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM COC(=O)c1cc2cc(CSCc3cc(-c4nn[n-]n4)ccc3F)ccc2o1 ZINC000821669035 599225857 /nfs/dbraw/zinc/22/58/57/599225857.db2.gz VMJAPAYWZLITNQ-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000820741616 599230534 /nfs/dbraw/zinc/23/05/34/599230534.db2.gz DTWVWTIKERSLIE-MEDUHNTESA-N -1 3 384.896 3.910 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000820741616 599230538 /nfs/dbraw/zinc/23/05/38/599230538.db2.gz DTWVWTIKERSLIE-MEDUHNTESA-N -1 3 384.896 3.910 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc(-n3cccn3)c2)ccc1-c1nnn[n-]1 ZINC000737632760 599232540 /nfs/dbraw/zinc/23/25/40/599232540.db2.gz MVSNSAHDIUTEOA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(NCc2cccc(-n3cccn3)c2)ccc1-c1nn[n-]n1 ZINC000737632760 599232541 /nfs/dbraw/zinc/23/25/41/599232541.db2.gz MVSNSAHDIUTEOA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CCc1ccc([C@H](NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C(C)C)cc1 ZINC000821482181 607262900 /nfs/dbraw/zinc/26/29/00/607262900.db2.gz REYJZJQGAZBNFZ-MRXNPFEDSA-N -1 3 384.871 3.605 20 0 GHADHM CCc1ccc([C@H](NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C(C)C)cc1 ZINC000821482181 607262901 /nfs/dbraw/zinc/26/29/01/607262901.db2.gz REYJZJQGAZBNFZ-MRXNPFEDSA-N -1 3 384.871 3.605 20 0 GHADHM CCCC[C@@H](CC)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736436921 599229011 /nfs/dbraw/zinc/22/90/11/599229011.db2.gz BENODSJVYYMZOR-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CCCC[C@@H](CC)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736436921 599229012 /nfs/dbraw/zinc/22/90/12/599229012.db2.gz BENODSJVYYMZOR-QGZVFWFLSA-N -1 3 384.528 3.512 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821454389 599238715 /nfs/dbraw/zinc/23/87/15/599238715.db2.gz FZFCYEPLOPSHNM-SNVBAGLBSA-N -1 3 384.962 3.680 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821454389 599238718 /nfs/dbraw/zinc/23/87/18/599238718.db2.gz FZFCYEPLOPSHNM-SNVBAGLBSA-N -1 3 384.962 3.680 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822060247 607268847 /nfs/dbraw/zinc/26/88/47/607268847.db2.gz GFBLJJLXUOWXDA-GJZGRUSLSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822060247 607268848 /nfs/dbraw/zinc/26/88/48/607268848.db2.gz GFBLJJLXUOWXDA-GJZGRUSLSA-N -1 3 398.264 3.680 20 0 GHADHM CCN(c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821230155 599247227 /nfs/dbraw/zinc/24/72/27/599247227.db2.gz DAOCDBCBZKTMFU-HNNXBMFYSA-N -1 3 393.495 3.984 20 0 GHADHM CCN(c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821230155 599247229 /nfs/dbraw/zinc/24/72/29/599247229.db2.gz DAOCDBCBZKTMFU-HNNXBMFYSA-N -1 3 393.495 3.984 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000735654568 599247970 /nfs/dbraw/zinc/24/79/70/599247970.db2.gz GTHYQVJHVJDKJS-HJWRWDBZSA-N -1 3 387.447 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000735654568 599247971 /nfs/dbraw/zinc/24/79/71/599247971.db2.gz GTHYQVJHVJDKJS-HJWRWDBZSA-N -1 3 387.447 3.623 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000737293673 599248661 /nfs/dbraw/zinc/24/86/61/599248661.db2.gz HXYGRLFWZJVPQD-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000737293673 599248663 /nfs/dbraw/zinc/24/86/63/599248663.db2.gz HXYGRLFWZJVPQD-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc2cc(F)ccc2o1 ZINC000738145399 599249955 /nfs/dbraw/zinc/24/99/55/599249955.db2.gz KAMTYSQQIWCXNB-UHFFFAOYSA-N -1 3 389.293 3.606 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc2cc(F)ccc2o1 ZINC000738145399 599249958 /nfs/dbraw/zinc/24/99/58/599249958.db2.gz KAMTYSQQIWCXNB-UHFFFAOYSA-N -1 3 389.293 3.606 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823246461 607279499 /nfs/dbraw/zinc/27/94/99/607279499.db2.gz PYTFCXRQDYSMRR-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823246461 607279500 /nfs/dbraw/zinc/27/95/00/607279500.db2.gz PYTFCXRQDYSMRR-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822090286 607289123 /nfs/dbraw/zinc/28/91/23/607289123.db2.gz JQSNWRJAAFYGOY-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1c(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822090286 607289124 /nfs/dbraw/zinc/28/91/24/607289124.db2.gz JQSNWRJAAFYGOY-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737489990 599257134 /nfs/dbraw/zinc/25/71/34/599257134.db2.gz OMVUJRDRJJGDHO-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822227829 599261059 /nfs/dbraw/zinc/26/10/59/599261059.db2.gz XBPPSIJZJIYORK-INIZCTEOSA-N -1 3 392.507 3.855 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822227829 599261061 /nfs/dbraw/zinc/26/10/61/599261061.db2.gz XBPPSIJZJIYORK-INIZCTEOSA-N -1 3 392.507 3.855 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2[nH]c3ccccc3c2C1 ZINC000737410366 599262865 /nfs/dbraw/zinc/26/28/65/599262865.db2.gz RWKMBKXDFCWUNG-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCc2[nH]c3ccccc3c2C1 ZINC000737410366 599262867 /nfs/dbraw/zinc/26/28/67/599262867.db2.gz RWKMBKXDFCWUNG-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000822203198 607308246 /nfs/dbraw/zinc/30/82/46/607308246.db2.gz ITMTWZLMTMUIOQ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000822203198 607308247 /nfs/dbraw/zinc/30/82/47/607308247.db2.gz ITMTWZLMTMUIOQ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM COc1ccc(CNc2ccc3c(c2)OC2(CCCCC2)O3)cc1-c1nnn[n-]1 ZINC000821821253 607310517 /nfs/dbraw/zinc/31/05/17/607310517.db2.gz CMGBFLBVUSNRIW-UHFFFAOYSA-N -1 3 393.447 3.919 20 0 GHADHM COc1ccc(CNc2ccc3c(c2)OC2(CCCCC2)O3)cc1-c1nn[n-]n1 ZINC000821821253 607310518 /nfs/dbraw/zinc/31/05/18/607310518.db2.gz CMGBFLBVUSNRIW-UHFFFAOYSA-N -1 3 393.447 3.919 20 0 GHADHM C[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820225194 607303550 /nfs/dbraw/zinc/30/35/50/607303550.db2.gz CVGLUYSRNKXPSZ-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM C[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820225194 607303551 /nfs/dbraw/zinc/30/35/51/607303551.db2.gz CVGLUYSRNKXPSZ-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820155607 599273673 /nfs/dbraw/zinc/27/36/73/599273673.db2.gz SOEJFOJFMFZVKU-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820155607 599273674 /nfs/dbraw/zinc/27/36/74/599273674.db2.gz SOEJFOJFMFZVKU-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000736488706 599275101 /nfs/dbraw/zinc/27/51/01/599275101.db2.gz RAYVOQLPEIVLJA-ZDUSSCGKSA-N -1 3 382.443 3.960 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000736488922 599275401 /nfs/dbraw/zinc/27/54/01/599275401.db2.gz USEGSLLXAPQVHR-UHFFFAOYSA-N -1 3 388.378 3.542 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736117212 599275717 /nfs/dbraw/zinc/27/57/17/599275717.db2.gz IOQPWRAAQMRUDJ-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736117212 599275718 /nfs/dbraw/zinc/27/57/18/599275718.db2.gz IOQPWRAAQMRUDJ-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820380550 599281385 /nfs/dbraw/zinc/28/13/85/599281385.db2.gz WEMLNQXUIZVVKG-AWEZNQCLSA-N -1 3 379.468 3.594 20 0 GHADHM CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820380550 599281389 /nfs/dbraw/zinc/28/13/89/599281389.db2.gz WEMLNQXUIZVVKG-AWEZNQCLSA-N -1 3 379.468 3.594 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737379285 599281451 /nfs/dbraw/zinc/28/14/51/599281451.db2.gz HAUOCPLWJFTOFA-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737379285 599281453 /nfs/dbraw/zinc/28/14/53/599281453.db2.gz HAUOCPLWJFTOFA-UHFFFAOYSA-N -1 3 398.470 3.842 20 0 GHADHM CC1CCC(N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820690209 599288618 /nfs/dbraw/zinc/28/86/18/599288618.db2.gz HKLNWBZPKWAPFL-UHFFFAOYSA-N -1 3 382.390 3.928 20 0 GHADHM CC1CCC(N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820690209 599288621 /nfs/dbraw/zinc/28/86/21/599288621.db2.gz HKLNWBZPKWAPFL-UHFFFAOYSA-N -1 3 382.390 3.928 20 0 GHADHM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821613372 599292117 /nfs/dbraw/zinc/29/21/17/599292117.db2.gz KMQQRZQAQSABGM-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821613372 599292119 /nfs/dbraw/zinc/29/21/19/599292119.db2.gz KMQQRZQAQSABGM-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737798473 598235419 /nfs/dbraw/zinc/23/54/19/598235419.db2.gz LCXRXWXQJYCWKV-VURMDHGXSA-N -1 3 395.413 3.564 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000737798473 598235420 /nfs/dbraw/zinc/23/54/20/598235420.db2.gz LCXRXWXQJYCWKV-VURMDHGXSA-N -1 3 395.413 3.564 20 0 GHADHM O=C(CNc1cccc(C(F)F)c1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737898287 598250390 /nfs/dbraw/zinc/25/03/90/598250390.db2.gz HOJVAUNCLQGBKH-UHFFFAOYSA-N -1 3 378.770 3.508 20 0 GHADHM O=C(CNc1cccc(C(F)F)c1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737898287 598250392 /nfs/dbraw/zinc/25/03/92/598250392.db2.gz HOJVAUNCLQGBKH-UHFFFAOYSA-N -1 3 378.770 3.508 20 0 GHADHM O=C([C@@H]1CCCc2sccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917257 607348648 /nfs/dbraw/zinc/34/86/48/607348648.db2.gz REXVMOXHEDLVLN-QGZVFWFLSA-N -1 3 379.489 3.539 20 0 GHADHM O=C([C@@H]1CCCc2sccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917257 607348650 /nfs/dbraw/zinc/34/86/50/607348650.db2.gz REXVMOXHEDLVLN-QGZVFWFLSA-N -1 3 379.489 3.539 20 0 GHADHM O=C(NCc1ccccc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738115944 598254885 /nfs/dbraw/zinc/25/48/85/598254885.db2.gz GIJRLAJDTCWYQB-UHFFFAOYSA-N -1 3 386.415 3.981 20 0 GHADHM O=C(NCc1ccccc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738115944 598254886 /nfs/dbraw/zinc/25/48/86/598254886.db2.gz GIJRLAJDTCWYQB-UHFFFAOYSA-N -1 3 386.415 3.981 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736197936 598255823 /nfs/dbraw/zinc/25/58/23/598255823.db2.gz FFKQCVMCDYQINW-ZDUSSCGKSA-N -1 3 386.862 3.542 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736261621 598264555 /nfs/dbraw/zinc/26/45/55/598264555.db2.gz LBIPBTSKQKKSRR-ACJLOTCBSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736261621 598264556 /nfs/dbraw/zinc/26/45/56/598264556.db2.gz LBIPBTSKQKKSRR-ACJLOTCBSA-N -1 3 378.436 3.969 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737110437 598275584 /nfs/dbraw/zinc/27/55/84/598275584.db2.gz YSUHZQKARFAKKT-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(OC)c(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737110437 598275585 /nfs/dbraw/zinc/27/55/85/598275585.db2.gz YSUHZQKARFAKKT-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737089699 598278825 /nfs/dbraw/zinc/27/88/25/598278825.db2.gz VXRZRSFXTXDZNL-UHFFFAOYSA-N -1 3 397.454 3.780 20 0 GHADHM COc1ccc(CCCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737089699 598278826 /nfs/dbraw/zinc/27/88/26/598278826.db2.gz VXRZRSFXTXDZNL-UHFFFAOYSA-N -1 3 397.454 3.780 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000735661524 598279254 /nfs/dbraw/zinc/27/92/54/598279254.db2.gz UDMKYGVCAIWVIK-UHFFFAOYSA-N -1 3 397.458 3.763 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000735661524 598279255 /nfs/dbraw/zinc/27/92/55/598279255.db2.gz UDMKYGVCAIWVIK-UHFFFAOYSA-N -1 3 397.458 3.763 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000736117111 598279278 /nfs/dbraw/zinc/27/92/78/598279278.db2.gz HPFXJSMRSFAWAZ-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1c(F)cccc1F ZINC000736117111 598279279 /nfs/dbraw/zinc/27/92/79/598279279.db2.gz HPFXJSMRSFAWAZ-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737853480 598290423 /nfs/dbraw/zinc/29/04/23/598290423.db2.gz MFQAXWFFTFJIFK-UHFFFAOYSA-N -1 3 395.221 3.989 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737853480 598290424 /nfs/dbraw/zinc/29/04/24/598290424.db2.gz MFQAXWFFTFJIFK-UHFFFAOYSA-N -1 3 395.221 3.989 20 0 GHADHM Cc1ncsc1COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737503211 598292075 /nfs/dbraw/zinc/29/20/75/598292075.db2.gz MCBDXNZPQKTMHJ-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ncsc1COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737503211 598292077 /nfs/dbraw/zinc/29/20/77/598292077.db2.gz MCBDXNZPQKTMHJ-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM CCCC[C@H](CC)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736437014 598307679 /nfs/dbraw/zinc/30/76/79/598307679.db2.gz CESHGNGCWXCESU-AWEZNQCLSA-N -1 3 383.452 3.553 20 0 GHADHM CCCC[C@H](CC)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736437014 598307680 /nfs/dbraw/zinc/30/76/80/598307680.db2.gz CESHGNGCWXCESU-AWEZNQCLSA-N -1 3 383.452 3.553 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccsc1)c1cccnc1 ZINC000737798554 598308873 /nfs/dbraw/zinc/30/88/73/598308873.db2.gz MBBILWKZSGPRMI-BQYQJAHWSA-N -1 3 388.456 3.570 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccsc1)c1cccnc1 ZINC000737798554 598308874 /nfs/dbraw/zinc/30/88/74/598308874.db2.gz MBBILWKZSGPRMI-BQYQJAHWSA-N -1 3 388.456 3.570 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736167726 598309719 /nfs/dbraw/zinc/30/97/19/598309719.db2.gz HLOIXPOGQKGMBK-ZDUSSCGKSA-N -1 3 397.454 3.734 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736167726 598309721 /nfs/dbraw/zinc/30/97/21/598309721.db2.gz HLOIXPOGQKGMBK-ZDUSSCGKSA-N -1 3 397.454 3.734 20 0 GHADHM c1cn(-c2ccccc2)nc1CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738424233 598314722 /nfs/dbraw/zinc/31/47/22/598314722.db2.gz CQXHFLZKYXFBLF-UHFFFAOYSA-N -1 3 392.488 3.755 20 0 GHADHM COc1cccc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737127681 598322366 /nfs/dbraw/zinc/32/23/66/598322366.db2.gz QWMUMLRJKLWTFI-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1cccc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737127681 598322368 /nfs/dbraw/zinc/32/23/68/598322368.db2.gz QWMUMLRJKLWTFI-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000738098713 598322980 /nfs/dbraw/zinc/32/29/80/598322980.db2.gz AINAKQOKNNHKHH-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000738098713 598322982 /nfs/dbraw/zinc/32/29/82/598322982.db2.gz AINAKQOKNNHKHH-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM CC(C)C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735788436 598324971 /nfs/dbraw/zinc/32/49/71/598324971.db2.gz ODACFPYPUNFWMY-SFHVURJKSA-N -1 3 382.443 3.592 20 0 GHADHM CC(C)C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735788436 598324973 /nfs/dbraw/zinc/32/49/73/598324973.db2.gz ODACFPYPUNFWMY-SFHVURJKSA-N -1 3 382.443 3.592 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417075 607354008 /nfs/dbraw/zinc/35/40/08/607354008.db2.gz IJWKYSFBOGAHAD-FZXOMJPYSA-N -1 3 389.459 3.642 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417075 607354010 /nfs/dbraw/zinc/35/40/10/607354010.db2.gz IJWKYSFBOGAHAD-FZXOMJPYSA-N -1 3 389.459 3.642 20 0 GHADHM Cc1cc(C)cc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000822196765 607354038 /nfs/dbraw/zinc/35/40/38/607354038.db2.gz WETHGKWPXPXIRV-UHFFFAOYSA-N -1 3 387.390 3.656 20 0 GHADHM Cc1cc(C)cc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000822196765 607354039 /nfs/dbraw/zinc/35/40/39/607354039.db2.gz WETHGKWPXPXIRV-UHFFFAOYSA-N -1 3 387.390 3.656 20 0 GHADHM c1ccc(-c2nnc(SCCOc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000738421685 598359932 /nfs/dbraw/zinc/35/99/32/598359932.db2.gz DZYZLWYMNCFQNR-UHFFFAOYSA-N -1 3 382.474 3.556 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113470 598361662 /nfs/dbraw/zinc/36/16/62/598361662.db2.gz OLXLADWLORGKMU-JXFKEZNVSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113470 598361664 /nfs/dbraw/zinc/36/16/64/598361664.db2.gz OLXLADWLORGKMU-JXFKEZNVSA-N -1 3 390.491 3.735 20 0 GHADHM COC(=O)c1sc2ccccc2c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000736957379 598363407 /nfs/dbraw/zinc/36/34/07/598363407.db2.gz RCRKJUNEJZSMMQ-UHFFFAOYSA-N -1 3 383.458 3.555 20 0 GHADHM COC(=O)c1sc2ccccc2c1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000736957379 598363409 /nfs/dbraw/zinc/36/34/09/598363409.db2.gz RCRKJUNEJZSMMQ-UHFFFAOYSA-N -1 3 383.458 3.555 20 0 GHADHM CCC(CC)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000521136432 598364785 /nfs/dbraw/zinc/36/47/85/598364785.db2.gz GMNIZYZSEFYFQT-UHFFFAOYSA-N -1 3 383.883 3.894 20 0 GHADHM CCC(CC)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000521136432 598364786 /nfs/dbraw/zinc/36/47/86/598364786.db2.gz GMNIZYZSEFYFQT-UHFFFAOYSA-N -1 3 383.883 3.894 20 0 GHADHM CC1(C)CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000736210968 598384497 /nfs/dbraw/zinc/38/44/97/598384497.db2.gz KJSDMUWOFHHHAK-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000736210968 598384499 /nfs/dbraw/zinc/38/44/99/598384499.db2.gz KJSDMUWOFHHHAK-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCc2ccccc2C1 ZINC000735905600 598413157 /nfs/dbraw/zinc/41/31/57/598413157.db2.gz LTRQVIGDQSZKGX-UHFFFAOYSA-N -1 3 392.463 3.634 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCc2ccccc2C1 ZINC000735905600 598413158 /nfs/dbraw/zinc/41/31/58/598413158.db2.gz LTRQVIGDQSZKGX-UHFFFAOYSA-N -1 3 392.463 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000520352266 598420308 /nfs/dbraw/zinc/42/03/08/598420308.db2.gz QKUAYMFUVJCIJH-GJZGRUSLSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000520352266 598420310 /nfs/dbraw/zinc/42/03/10/598420310.db2.gz QKUAYMFUVJCIJH-GJZGRUSLSA-N -1 3 388.258 3.593 20 0 GHADHM Cc1cc(N(C)C)ccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737269659 598426464 /nfs/dbraw/zinc/42/64/64/598426464.db2.gz FKZUQZYMJRLBIE-UHFFFAOYSA-N -1 3 393.495 3.684 20 0 GHADHM Cc1cc(N(C)C)ccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737269659 598426465 /nfs/dbraw/zinc/42/64/65/598426465.db2.gz FKZUQZYMJRLBIE-UHFFFAOYSA-N -1 3 393.495 3.684 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113339 598429981 /nfs/dbraw/zinc/42/99/81/598429981.db2.gz YOQWPXAPVXHSBK-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113339 598429983 /nfs/dbraw/zinc/42/99/83/598429983.db2.gz YOQWPXAPVXHSBK-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000738320912 598464821 /nfs/dbraw/zinc/46/48/21/598464821.db2.gz ZODNGGZDVZALGC-FPLPWBNLSA-N -1 3 397.243 3.553 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Cl)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000738320912 598464823 /nfs/dbraw/zinc/46/48/23/598464823.db2.gz ZODNGGZDVZALGC-FPLPWBNLSA-N -1 3 397.243 3.553 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000736637683 598467172 /nfs/dbraw/zinc/46/71/72/598467172.db2.gz YGFQMEXXRGNSLZ-PLQHRBFRSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000736637683 598467174 /nfs/dbraw/zinc/46/71/74/598467174.db2.gz YGFQMEXXRGNSLZ-PLQHRBFRSA-N -1 3 395.438 3.696 20 0 GHADHM CCc1cccc(C)c1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736699998 598474424 /nfs/dbraw/zinc/47/44/24/598474424.db2.gz RERRSKRNBSUWDN-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM CCc1cccc(C)c1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736699998 598474425 /nfs/dbraw/zinc/47/44/25/598474425.db2.gz RERRSKRNBSUWDN-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM O=C(Nc1cccc(Cl)c1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738181924 598475780 /nfs/dbraw/zinc/47/57/80/598475780.db2.gz BSCRSELXILWASI-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1cccc(Cl)c1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738181924 598475782 /nfs/dbraw/zinc/47/57/82/598475782.db2.gz BSCRSELXILWASI-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000737320904 598479856 /nfs/dbraw/zinc/47/98/56/598479856.db2.gz QZLIRNTYCLMDHI-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000737320904 598479857 /nfs/dbraw/zinc/47/98/57/598479857.db2.gz QZLIRNTYCLMDHI-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114594 598485458 /nfs/dbraw/zinc/48/54/58/598485458.db2.gz HTYGQRGCPACSQP-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114594 598485460 /nfs/dbraw/zinc/48/54/60/598485460.db2.gz HTYGQRGCPACSQP-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1nc2ccccc2s1 ZINC000735655855 598489235 /nfs/dbraw/zinc/48/92/35/598489235.db2.gz RZGCRTYEJGPSMG-HJWRWDBZSA-N -1 3 393.476 3.685 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1nc2ccccc2s1 ZINC000735655855 598489236 /nfs/dbraw/zinc/48/92/36/598489236.db2.gz RZGCRTYEJGPSMG-HJWRWDBZSA-N -1 3 393.476 3.685 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200506 598492215 /nfs/dbraw/zinc/49/22/15/598492215.db2.gz TYXWIJAUQIJOQE-DQQVXTMASA-N -1 3 396.394 3.775 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200506 598492216 /nfs/dbraw/zinc/49/22/16/598492216.db2.gz TYXWIJAUQIJOQE-DQQVXTMASA-N -1 3 396.394 3.775 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)s1 ZINC000736678976 598494673 /nfs/dbraw/zinc/49/46/73/598494673.db2.gz ICTHKUFPUKKEOQ-UHFFFAOYSA-N -1 3 396.451 3.888 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)s1 ZINC000736678976 598494674 /nfs/dbraw/zinc/49/46/74/598494674.db2.gz ICTHKUFPUKKEOQ-UHFFFAOYSA-N -1 3 396.451 3.888 20 0 GHADHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738157827 598511359 /nfs/dbraw/zinc/51/13/59/598511359.db2.gz BOYZKFSUXRQAQS-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738157827 598511361 /nfs/dbraw/zinc/51/13/61/598511361.db2.gz BOYZKFSUXRQAQS-NRFANRHFSA-N -1 3 399.454 3.785 20 0 GHADHM c1cc(-c2nc(CSCCOc3ccc(-c4nn[n-]n4)cc3)cs2)co1 ZINC000738405177 598511937 /nfs/dbraw/zinc/51/19/37/598511937.db2.gz MRDAXAYEQMXTRX-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206887 598514585 /nfs/dbraw/zinc/51/45/85/598514585.db2.gz HRWZAPXSEMMVKD-VHSXEESVSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206887 598514587 /nfs/dbraw/zinc/51/45/87/598514587.db2.gz HRWZAPXSEMMVKD-VHSXEESVSA-N -1 3 380.260 3.977 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000736670777 598515873 /nfs/dbraw/zinc/51/58/73/598515873.db2.gz RDPZMTCNBBUQSL-UHFFFAOYSA-N -1 3 385.493 3.769 20 0 GHADHM CCc1c(C)sc(NC(=O)CCCc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000736670777 598515875 /nfs/dbraw/zinc/51/58/75/598515875.db2.gz RDPZMTCNBBUQSL-UHFFFAOYSA-N -1 3 385.493 3.769 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1c(=S)snc1-c1ccccc1 ZINC000736818047 598520353 /nfs/dbraw/zinc/52/03/53/598520353.db2.gz LYERFIXDRVVIFZ-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1c(=S)snc1-c1ccccc1 ZINC000736818047 598520354 /nfs/dbraw/zinc/52/03/54/598520354.db2.gz LYERFIXDRVVIFZ-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(c1ccccc1)C1CCCC1 ZINC000736169575 598534328 /nfs/dbraw/zinc/53/43/28/598534328.db2.gz LAJVMCJLLLBKDE-OAHLLOKOSA-N -1 3 377.448 3.610 20 0 GHADHM Cc1ccc(CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2)o1 ZINC000737337971 598535053 /nfs/dbraw/zinc/53/50/53/598535053.db2.gz VIHVOCXHFOOINI-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM Cc1ccc(CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2)o1 ZINC000737337971 598535055 /nfs/dbraw/zinc/53/50/55/598535055.db2.gz VIHVOCXHFOOINI-UHFFFAOYSA-N -1 3 391.406 3.683 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736169843 598537550 /nfs/dbraw/zinc/53/75/50/598537550.db2.gz PWCWDNBHUUDHDO-APPDUMDISA-N -1 3 384.823 3.518 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267216 598538652 /nfs/dbraw/zinc/53/86/52/598538652.db2.gz BDFUVKNIQLSASX-KDOFPFPSSA-N -1 3 395.463 3.689 20 0 GHADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735594887 598538757 /nfs/dbraw/zinc/53/87/57/598538757.db2.gz XGSCDZRGRIBXAN-UHFFFAOYSA-N -1 3 397.479 3.983 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737345018 598539642 /nfs/dbraw/zinc/53/96/42/598539642.db2.gz MWUUQWLGBIWJRK-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736247121 598540314 /nfs/dbraw/zinc/54/03/14/598540314.db2.gz ADQXXLAIGVRKOO-GJZGRUSLSA-N -1 3 395.463 3.595 20 0 GHADHM CC1(CNC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCCC1 ZINC000736215840 598540557 /nfs/dbraw/zinc/54/05/57/598540557.db2.gz BZDACLDCTVKYSI-UHFFFAOYSA-N -1 3 397.508 3.616 20 0 GHADHM CC1(CNC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCCC1 ZINC000736215840 598540559 /nfs/dbraw/zinc/54/05/59/598540559.db2.gz BZDACLDCTVKYSI-UHFFFAOYSA-N -1 3 397.508 3.616 20 0 GHADHM O=C(CCc1c[nH]c2ccccc12)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737849262 598546875 /nfs/dbraw/zinc/54/68/75/598546875.db2.gz BERIDHOSQPMZNX-UHFFFAOYSA-N -1 3 398.373 3.521 20 0 GHADHM O=C(CCc1c[nH]c2ccccc12)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737849262 598546876 /nfs/dbraw/zinc/54/68/76/598546876.db2.gz BERIDHOSQPMZNX-UHFFFAOYSA-N -1 3 398.373 3.521 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735811802 598559516 /nfs/dbraw/zinc/55/95/16/598559516.db2.gz VSTJXEXTUFVKRN-HNNXBMFYSA-N -1 3 394.479 3.622 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735811802 598559517 /nfs/dbraw/zinc/55/95/17/598559517.db2.gz VSTJXEXTUFVKRN-HNNXBMFYSA-N -1 3 394.479 3.622 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000736671387 598569609 /nfs/dbraw/zinc/56/96/09/598569609.db2.gz XIIYBWJCBGHRIL-NEPJUHHUSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000736671387 598569610 /nfs/dbraw/zinc/56/96/10/598569610.db2.gz XIIYBWJCBGHRIL-NEPJUHHUSA-N -1 3 389.431 3.819 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)o2)c(C)c1 ZINC000737365295 598571852 /nfs/dbraw/zinc/57/18/52/598571852.db2.gz HYELPRGYTODWIC-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)o2)c(C)c1 ZINC000737365295 598571854 /nfs/dbraw/zinc/57/18/54/598571854.db2.gz HYELPRGYTODWIC-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CN(C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000736732769 598575945 /nfs/dbraw/zinc/57/59/45/598575945.db2.gz PWRXLOGEOGZMBX-NRFANRHFSA-N -1 3 398.470 3.652 20 0 GHADHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737143728 598579343 /nfs/dbraw/zinc/57/93/43/598579343.db2.gz UGVHZIQINTYNRN-CQSZACIVSA-N -1 3 391.353 3.830 20 0 GHADHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737143728 598579344 /nfs/dbraw/zinc/57/93/44/598579344.db2.gz UGVHZIQINTYNRN-CQSZACIVSA-N -1 3 391.353 3.830 20 0 GHADHM c1csc(-c2cnc(CSCCOc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000738420163 598582598 /nfs/dbraw/zinc/58/25/98/598582598.db2.gz XEPICWHQPJJGRF-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM c1csc(-c2cnc(CSCCOc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000738420163 598582600 /nfs/dbraw/zinc/58/26/00/598582600.db2.gz XEPICWHQPJJGRF-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM CC(C)(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000735581479 598583175 /nfs/dbraw/zinc/58/31/75/598583175.db2.gz UZZMZSMMYWZGAJ-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000735581479 598583177 /nfs/dbraw/zinc/58/31/77/598583177.db2.gz UZZMZSMMYWZGAJ-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737316499 598584985 /nfs/dbraw/zinc/58/49/85/598584985.db2.gz DGPSIDVWXPHIML-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737316499 598584987 /nfs/dbraw/zinc/58/49/87/598584987.db2.gz DGPSIDVWXPHIML-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1cccc(C(F)(F)F)c1 ZINC000737802562 598585626 /nfs/dbraw/zinc/58/56/26/598585626.db2.gz PNJDMIPCNUERHC-HJWRWDBZSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1cccc(C(F)(F)F)c1 ZINC000737802562 598585628 /nfs/dbraw/zinc/58/56/28/598585628.db2.gz PNJDMIPCNUERHC-HJWRWDBZSA-N -1 3 388.349 3.685 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000737561642 598591139 /nfs/dbraw/zinc/59/11/39/598591139.db2.gz GHSNNTQLUUYINM-ZDUSSCGKSA-N -1 3 383.868 3.866 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000737561642 598591140 /nfs/dbraw/zinc/59/11/40/598591140.db2.gz GHSNNTQLUUYINM-ZDUSSCGKSA-N -1 3 383.868 3.866 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737557068 598591971 /nfs/dbraw/zinc/59/19/71/598591971.db2.gz QIQAFZFYQAIHCT-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737557068 598591973 /nfs/dbraw/zinc/59/19/73/598591973.db2.gz QIQAFZFYQAIHCT-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(C=Cc1ccccc1OC(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737797675 598599440 /nfs/dbraw/zinc/59/94/40/598599440.db2.gz DWLPDYHGYTXBAU-VMPITWQZSA-N -1 3 393.300 3.556 20 0 GHADHM O=C(C=Cc1ccccc1OC(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737797675 598599442 /nfs/dbraw/zinc/59/94/42/598599442.db2.gz DWLPDYHGYTXBAU-VMPITWQZSA-N -1 3 393.300 3.556 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736654761 598627314 /nfs/dbraw/zinc/62/73/14/598627314.db2.gz XOYBAPAPXDOHSC-MRXNPFEDSA-N -1 3 384.415 3.677 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736654761 598627315 /nfs/dbraw/zinc/62/73/15/598627315.db2.gz XOYBAPAPXDOHSC-MRXNPFEDSA-N -1 3 384.415 3.677 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)cc1 ZINC000737334675 598627928 /nfs/dbraw/zinc/62/79/28/598627928.db2.gz LFUBJDDEZWDCNB-MRXNPFEDSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)cc1 ZINC000737334675 598627929 /nfs/dbraw/zinc/62/79/29/598627929.db2.gz LFUBJDDEZWDCNB-MRXNPFEDSA-N -1 3 394.454 3.801 20 0 GHADHM O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738103386 598631477 /nfs/dbraw/zinc/63/14/77/598631477.db2.gz JUJFSAZCIRLJFY-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738103386 598631479 /nfs/dbraw/zinc/63/14/79/598631479.db2.gz JUJFSAZCIRLJFY-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000736625401 598642872 /nfs/dbraw/zinc/64/28/72/598642872.db2.gz FQBZZZCVOJWZNY-UHFFFAOYSA-N -1 3 399.357 3.778 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000736625401 598642873 /nfs/dbraw/zinc/64/28/73/598642873.db2.gz FQBZZZCVOJWZNY-UHFFFAOYSA-N -1 3 399.357 3.778 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)nn2-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737648138 598644894 /nfs/dbraw/zinc/64/48/94/598644894.db2.gz GDPNGQZDSGGCJL-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(CSc2nc(C3CC3)nn2-c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737648138 598644896 /nfs/dbraw/zinc/64/48/96/598644896.db2.gz GDPNGQZDSGGCJL-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000736103018 598646071 /nfs/dbraw/zinc/64/60/71/598646071.db2.gz VFYUGVOCALHSMG-AWEZNQCLSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000736103018 598646073 /nfs/dbraw/zinc/64/60/73/598646073.db2.gz VFYUGVOCALHSMG-AWEZNQCLSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)c(F)c3)c2-c2nnn[n-]2)C1 ZINC000736278227 598647350 /nfs/dbraw/zinc/64/73/50/598647350.db2.gz FVDRHTQGLAZVNK-ZETCQYMHSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)c(F)c3)c2-c2nn[n-]n2)C1 ZINC000736278227 598647352 /nfs/dbraw/zinc/64/73/52/598647352.db2.gz FVDRHTQGLAZVNK-ZETCQYMHSA-N -1 3 393.394 3.723 20 0 GHADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735594302 598647447 /nfs/dbraw/zinc/64/74/47/598647447.db2.gz QQFVMUCSDLFGQZ-UHFFFAOYSA-N -1 3 394.479 3.999 20 0 GHADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735594302 598647449 /nfs/dbraw/zinc/64/74/49/598647449.db2.gz QQFVMUCSDLFGQZ-UHFFFAOYSA-N -1 3 394.479 3.999 20 0 GHADHM CC[C@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736352189 598647831 /nfs/dbraw/zinc/64/78/31/598647831.db2.gz XIYDGMXRPNOYFJ-QGZVFWFLSA-N -1 3 393.491 3.726 20 0 GHADHM CC[C@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736352189 598647833 /nfs/dbraw/zinc/64/78/33/598647833.db2.gz XIYDGMXRPNOYFJ-QGZVFWFLSA-N -1 3 393.491 3.726 20 0 GHADHM CC(C)CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000735796365 598649026 /nfs/dbraw/zinc/64/90/26/598649026.db2.gz AWMUPSHVSWPTSJ-UHFFFAOYSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000735796365 598649027 /nfs/dbraw/zinc/64/90/27/598649027.db2.gz AWMUPSHVSWPTSJ-UHFFFAOYSA-N -1 3 392.463 3.705 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737428497 598649322 /nfs/dbraw/zinc/64/93/22/598649322.db2.gz QIYRHKUDYXXISZ-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM Cc1ccccc1CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737428497 598649324 /nfs/dbraw/zinc/64/93/24/598649324.db2.gz QIYRHKUDYXXISZ-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000737943218 598649675 /nfs/dbraw/zinc/64/96/75/598649675.db2.gz QLELXTDFBAYJPT-SFHVURJKSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000737943218 598649677 /nfs/dbraw/zinc/64/96/77/598649677.db2.gz QLELXTDFBAYJPT-SFHVURJKSA-N -1 3 399.907 3.880 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737332887 598650841 /nfs/dbraw/zinc/65/08/41/598650841.db2.gz XHWCNOKIPHFYAR-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737332887 598650843 /nfs/dbraw/zinc/65/08/43/598650843.db2.gz XHWCNOKIPHFYAR-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737997412 598651214 /nfs/dbraw/zinc/65/12/14/598651214.db2.gz VIZFNQWCKMZYOA-UHFFFAOYSA-N -1 3 375.432 3.577 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737997412 598651215 /nfs/dbraw/zinc/65/12/15/598651215.db2.gz VIZFNQWCKMZYOA-UHFFFAOYSA-N -1 3 375.432 3.577 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(OC2CCCC2)c1 ZINC000737946318 598651558 /nfs/dbraw/zinc/65/15/58/598651558.db2.gz AJFZXGJBLBQYCO-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(OC2CCCC2)c1 ZINC000737946318 598651559 /nfs/dbraw/zinc/65/15/59/598651559.db2.gz AJFZXGJBLBQYCO-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096582 598652046 /nfs/dbraw/zinc/65/20/46/598652046.db2.gz ACSOSAIJFYQEIR-LRDDRELGSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096582 598652048 /nfs/dbraw/zinc/65/20/48/598652048.db2.gz ACSOSAIJFYQEIR-LRDDRELGSA-N -1 3 389.381 3.780 20 0 GHADHM CC1CCC(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736237029 598654236 /nfs/dbraw/zinc/65/42/36/598654236.db2.gz NSFMDMVLVDEYAI-UHFFFAOYSA-N -1 3 392.463 3.610 20 0 GHADHM CC1CCC(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736237029 598654238 /nfs/dbraw/zinc/65/42/38/598654238.db2.gz NSFMDMVLVDEYAI-UHFFFAOYSA-N -1 3 392.463 3.610 20 0 GHADHM CC1(C)CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736214935 598654974 /nfs/dbraw/zinc/65/49/74/598654974.db2.gz XQYNCEWNOCZZCY-GOSISDBHSA-N -1 3 379.489 3.569 20 0 GHADHM CC1(C)CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000736214935 598654976 /nfs/dbraw/zinc/65/49/76/598654976.db2.gz XQYNCEWNOCZZCY-GOSISDBHSA-N -1 3 379.489 3.569 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736328955 598655124 /nfs/dbraw/zinc/65/51/24/598655124.db2.gz ZLJCEIPDYBWCED-ZDUSSCGKSA-N -1 3 383.477 3.775 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736328955 598655126 /nfs/dbraw/zinc/65/51/26/598655126.db2.gz ZLJCEIPDYBWCED-ZDUSSCGKSA-N -1 3 383.477 3.775 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCc2ccc(Cl)cc21 ZINC000737831700 598656529 /nfs/dbraw/zinc/65/65/29/598656529.db2.gz CVKYOMJVTUIKIB-UHFFFAOYSA-N -1 3 397.866 3.659 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCc2ccc(Cl)cc21 ZINC000737831700 598656531 /nfs/dbraw/zinc/65/65/31/598656531.db2.gz CVKYOMJVTUIKIB-UHFFFAOYSA-N -1 3 397.866 3.659 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737346930 598656940 /nfs/dbraw/zinc/65/69/40/598656940.db2.gz JLCKAPIZONUBQY-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM Cc1ccc(N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737346930 598656941 /nfs/dbraw/zinc/65/69/41/598656941.db2.gz JLCKAPIZONUBQY-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000737941426 598657281 /nfs/dbraw/zinc/65/72/81/598657281.db2.gz AJIPTAYZRHEPHN-MOPGFXCFSA-N -1 3 393.516 3.801 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000737941426 598657283 /nfs/dbraw/zinc/65/72/83/598657283.db2.gz AJIPTAYZRHEPHN-MOPGFXCFSA-N -1 3 393.516 3.801 20 0 GHADHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735671789 598657967 /nfs/dbraw/zinc/65/79/67/598657967.db2.gz IYEXCDXHOPHLJL-UHFFFAOYSA-N -1 3 387.896 3.664 20 0 GHADHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735671789 598657970 /nfs/dbraw/zinc/65/79/70/598657970.db2.gz IYEXCDXHOPHLJL-UHFFFAOYSA-N -1 3 387.896 3.664 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737824645 598665291 /nfs/dbraw/zinc/66/52/91/598665291.db2.gz SILXGCVBUUDPHX-QGZVFWFLSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737824645 598665292 /nfs/dbraw/zinc/66/52/92/598665292.db2.gz SILXGCVBUUDPHX-QGZVFWFLSA-N -1 3 393.447 3.947 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737389677 598666588 /nfs/dbraw/zinc/66/65/88/598666588.db2.gz NDNKAMZQUPULSM-SFHVURJKSA-N -1 3 379.489 3.631 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737389677 598666589 /nfs/dbraw/zinc/66/65/89/598666589.db2.gz NDNKAMZQUPULSM-SFHVURJKSA-N -1 3 379.489 3.631 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737802596 598671958 /nfs/dbraw/zinc/67/19/58/598671958.db2.gz PRDVYAXZPCFLRW-JLHYYAGUSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Oc2ccccc2)cn1 ZINC000737802596 598671960 /nfs/dbraw/zinc/67/19/60/598671960.db2.gz PRDVYAXZPCFLRW-JLHYYAGUSA-N -1 3 384.399 3.706 20 0 GHADHM Fc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000737650574 598679255 /nfs/dbraw/zinc/67/92/55/598679255.db2.gz PTFURZUSBNVMPT-INIZCTEOSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000737650574 598679257 /nfs/dbraw/zinc/67/92/57/598679257.db2.gz PTFURZUSBNVMPT-INIZCTEOSA-N -1 3 380.452 3.953 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736192332 598695940 /nfs/dbraw/zinc/69/59/40/598695940.db2.gz YEBCZYKVTGQMGT-STQMWFEESA-N -1 3 385.468 3.505 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736192332 598695942 /nfs/dbraw/zinc/69/59/42/598695942.db2.gz YEBCZYKVTGQMGT-STQMWFEESA-N -1 3 385.468 3.505 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737398609 598696576 /nfs/dbraw/zinc/69/65/76/598696576.db2.gz IRAVFECYCNKJPI-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737398609 598696577 /nfs/dbraw/zinc/69/65/77/598696577.db2.gz IRAVFECYCNKJPI-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM CCCn1c(C)cc(C(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000736499235 598698022 /nfs/dbraw/zinc/69/80/22/598698022.db2.gz CUVSWNJQRLTPJG-UHFFFAOYSA-N -1 3 387.484 3.950 20 0 GHADHM CCCn1c(C)cc(C(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000736499235 598698024 /nfs/dbraw/zinc/69/80/24/598698024.db2.gz CUVSWNJQRLTPJG-UHFFFAOYSA-N -1 3 387.484 3.950 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC000736215415 598707427 /nfs/dbraw/zinc/70/74/27/598707427.db2.gz XLRZWQWJWSGOTJ-SFHVURJKSA-N -1 3 383.883 3.872 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000736156000 598713632 /nfs/dbraw/zinc/71/36/32/598713632.db2.gz RFPMDDYSZMCCMW-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000736156000 598713634 /nfs/dbraw/zinc/71/36/34/598713634.db2.gz RFPMDDYSZMCCMW-JTQLQIEISA-N -1 3 376.388 3.541 20 0 GHADHM CC(C)N(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCCC1 ZINC000735857726 598734646 /nfs/dbraw/zinc/73/46/46/598734646.db2.gz XVECSVQYNPWAFQ-UHFFFAOYSA-N -1 3 395.463 3.832 20 0 GHADHM CC(C)N(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CCCC1 ZINC000735857726 598734647 /nfs/dbraw/zinc/73/46/47/598734647.db2.gz XVECSVQYNPWAFQ-UHFFFAOYSA-N -1 3 395.463 3.832 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCc2ccccc21 ZINC000737840663 598735777 /nfs/dbraw/zinc/73/57/77/598735777.db2.gz BWXVVIPNHXGCET-IBGZPJMESA-N -1 3 378.432 3.647 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCc2ccccc21 ZINC000737840663 598735779 /nfs/dbraw/zinc/73/57/79/598735779.db2.gz BWXVVIPNHXGCET-IBGZPJMESA-N -1 3 378.432 3.647 20 0 GHADHM COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736969747 598736154 /nfs/dbraw/zinc/73/61/54/598736154.db2.gz YLAZQXDOFQLWJL-LLVKDONJSA-N -1 3 387.827 3.533 20 0 GHADHM COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736969747 598736155 /nfs/dbraw/zinc/73/61/55/598736155.db2.gz YLAZQXDOFQLWJL-LLVKDONJSA-N -1 3 387.827 3.533 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)ccc1F ZINC000737233995 598736720 /nfs/dbraw/zinc/73/67/20/598736720.db2.gz JLFFVFUHTYRKET-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)ccc1F ZINC000737233995 598736722 /nfs/dbraw/zinc/73/67/22/598736722.db2.gz JLFFVFUHTYRKET-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735920925 598743902 /nfs/dbraw/zinc/74/39/02/598743902.db2.gz ATJLFRIPFYKRKA-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735920925 598743903 /nfs/dbraw/zinc/74/39/03/598743903.db2.gz ATJLFRIPFYKRKA-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM C[C@@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCCC1 ZINC000735972999 598745279 /nfs/dbraw/zinc/74/52/79/598745279.db2.gz BCYGXMPEAGVNLZ-INIZCTEOSA-N -1 3 397.523 3.843 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736664797 598745539 /nfs/dbraw/zinc/74/55/39/598745539.db2.gz FFIIHDGAKBEFOY-CYBMUJFWSA-N -1 3 399.545 3.948 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736664797 598745541 /nfs/dbraw/zinc/74/55/41/598745541.db2.gz FFIIHDGAKBEFOY-CYBMUJFWSA-N -1 3 399.545 3.948 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737355881 598749142 /nfs/dbraw/zinc/74/91/42/598749142.db2.gz MKHPRRPWSIZXMR-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737355881 598749143 /nfs/dbraw/zinc/74/91/43/598749143.db2.gz MKHPRRPWSIZXMR-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM S=C(Nc1cccc(Oc2ccncc2)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000738406184 598752790 /nfs/dbraw/zinc/75/27/90/598752790.db2.gz BHWPHEYYEKEPTA-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM S=C(Nc1cccc(Oc2ccncc2)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000738406184 598752792 /nfs/dbraw/zinc/75/27/92/598752792.db2.gz BHWPHEYYEKEPTA-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Oc2ccncc2)c1 ZINC000737803189 598753680 /nfs/dbraw/zinc/75/36/80/598753680.db2.gz RUFOQEVWNDXZSZ-HJWRWDBZSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(Oc2ccncc2)c1 ZINC000737803189 598753681 /nfs/dbraw/zinc/75/36/81/598753681.db2.gz RUFOQEVWNDXZSZ-HJWRWDBZSA-N -1 3 384.399 3.706 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)Cc1ccccc1 ZINC000736479079 598762869 /nfs/dbraw/zinc/76/28/69/598762869.db2.gz INFAMQDJSQREBZ-LJQANCHMSA-N -1 3 377.492 3.874 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)Cc1ccccc1 ZINC000736479079 598762871 /nfs/dbraw/zinc/76/28/71/598762871.db2.gz INFAMQDJSQREBZ-LJQANCHMSA-N -1 3 377.492 3.874 20 0 GHADHM C[C@H](O)CN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736148602 598763142 /nfs/dbraw/zinc/76/31/42/598763142.db2.gz QHZVZCUSMKWQIG-KRWDZBQOSA-N -1 3 385.471 3.921 20 0 GHADHM C[C@H](O)CN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736148602 598763143 /nfs/dbraw/zinc/76/31/43/598763143.db2.gz QHZVZCUSMKWQIG-KRWDZBQOSA-N -1 3 385.471 3.921 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737419136 598764637 /nfs/dbraw/zinc/76/46/37/598764637.db2.gz CSNSEYHUJUGZMO-OXJNMPFZSA-N -1 3 393.491 3.846 20 0 GHADHM C[C@H](c1c(F)cccc1F)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736194893 598764825 /nfs/dbraw/zinc/76/48/25/598764825.db2.gz DMLUOSAGPQUPBX-CYBMUJFWSA-N -1 3 385.418 3.749 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736271426 598770068 /nfs/dbraw/zinc/77/00/68/598770068.db2.gz NKPCSCJCKXUKJS-BDJLRTHQSA-N -1 3 388.422 3.700 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736271426 598770070 /nfs/dbraw/zinc/77/00/70/598770070.db2.gz NKPCSCJCKXUKJS-BDJLRTHQSA-N -1 3 388.422 3.700 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736668014 598777300 /nfs/dbraw/zinc/77/73/00/598777300.db2.gz WEBDUWMEHLCQOF-CQSZACIVSA-N -1 3 396.520 3.881 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736668014 598777301 /nfs/dbraw/zinc/77/73/01/598777301.db2.gz WEBDUWMEHLCQOF-CQSZACIVSA-N -1 3 396.520 3.881 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1COc2ccccc2C1 ZINC000738251806 598786358 /nfs/dbraw/zinc/78/63/58/598786358.db2.gz SDOYFRKRACFWPP-IBGZPJMESA-N -1 3 398.422 3.690 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1COc2ccccc2C1 ZINC000738251806 598786359 /nfs/dbraw/zinc/78/63/59/598786359.db2.gz SDOYFRKRACFWPP-IBGZPJMESA-N -1 3 398.422 3.690 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737151895 598790343 /nfs/dbraw/zinc/79/03/43/598790343.db2.gz GYANBLWLJVCTTC-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737151895 598790345 /nfs/dbraw/zinc/79/03/45/598790345.db2.gz GYANBLWLJVCTTC-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccc(OC2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737109987 598793162 /nfs/dbraw/zinc/79/31/62/598793162.db2.gz QTWRRMBPJLAJKJ-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM COc1ccc(OC2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737109987 598793164 /nfs/dbraw/zinc/79/31/64/598793164.db2.gz QTWRRMBPJLAJKJ-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM Cc1ccccc1C1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCOCC1 ZINC000737423631 598794938 /nfs/dbraw/zinc/79/49/38/598794938.db2.gz VRPIYRSISRKLDL-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM Cc1ccccc1C1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCOCC1 ZINC000737423631 598794940 /nfs/dbraw/zinc/79/49/40/598794940.db2.gz VRPIYRSISRKLDL-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736313799 598805230 /nfs/dbraw/zinc/80/52/30/598805230.db2.gz KISDVPUZSSCUMQ-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCC(C)(CC)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736313799 598805232 /nfs/dbraw/zinc/80/52/32/598805232.db2.gz KISDVPUZSSCUMQ-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737946551 598805954 /nfs/dbraw/zinc/80/59/54/598805954.db2.gz HZAXGHFWTVDIGR-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737946551 598805956 /nfs/dbraw/zinc/80/59/56/598805956.db2.gz HZAXGHFWTVDIGR-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM CCC/C=C/C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736440044 598819788 /nfs/dbraw/zinc/81/97/88/598819788.db2.gz XFYYDUAXJDHXKF-AATRIKPKSA-N -1 3 379.420 3.962 20 0 GHADHM CCC/C=C/C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736440044 598819789 /nfs/dbraw/zinc/81/97/89/598819789.db2.gz XFYYDUAXJDHXKF-AATRIKPKSA-N -1 3 379.420 3.962 20 0 GHADHM Cc1ccc(N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737348415 598822690 /nfs/dbraw/zinc/82/26/90/598822690.db2.gz YCCOGKPFNBJJIJ-UHFFFAOYSA-N -1 3 387.896 3.725 20 0 GHADHM Cc1ccc(N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737348415 598822691 /nfs/dbraw/zinc/82/26/91/598822691.db2.gz YCCOGKPFNBJJIJ-UHFFFAOYSA-N -1 3 387.896 3.725 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822229061 599295681 /nfs/dbraw/zinc/29/56/81/599295681.db2.gz LLSFYLGUBUAGBG-VIFPVBQESA-N -1 3 380.330 3.670 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822229061 599295683 /nfs/dbraw/zinc/29/56/83/599295683.db2.gz LLSFYLGUBUAGBG-VIFPVBQESA-N -1 3 380.330 3.670 20 0 GHADHM C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820667828 599296223 /nfs/dbraw/zinc/29/62/23/599296223.db2.gz OEODOGXGMMWXFT-NWDGAFQWSA-N -1 3 382.399 3.576 20 0 GHADHM C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820667828 599296225 /nfs/dbraw/zinc/29/62/25/599296225.db2.gz OEODOGXGMMWXFT-NWDGAFQWSA-N -1 3 382.399 3.576 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735904569 599300621 /nfs/dbraw/zinc/30/06/21/599300621.db2.gz QPJRBFVTQJNDON-UHFFFAOYSA-N -1 3 385.855 3.879 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735904569 599300624 /nfs/dbraw/zinc/30/06/24/599300624.db2.gz QPJRBFVTQJNDON-UHFFFAOYSA-N -1 3 385.855 3.879 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737337516 599303411 /nfs/dbraw/zinc/30/34/11/599303411.db2.gz FLUHHBNCNRJIOZ-UHFFFAOYSA-N -1 3 387.443 3.653 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737337516 599303413 /nfs/dbraw/zinc/30/34/13/599303413.db2.gz FLUHHBNCNRJIOZ-UHFFFAOYSA-N -1 3 387.443 3.653 20 0 GHADHM CCN(C(=O)CSCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505631 599313681 /nfs/dbraw/zinc/31/36/81/599313681.db2.gz PPPNHBGXGYLKHO-UHFFFAOYSA-N -1 3 387.896 3.806 20 0 GHADHM CCN(C(=O)CSCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505631 599313684 /nfs/dbraw/zinc/31/36/84/599313684.db2.gz PPPNHBGXGYLKHO-UHFFFAOYSA-N -1 3 387.896 3.806 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cc(-c3nnn[n-]3)ccc2OC)n1 ZINC000821449380 607368559 /nfs/dbraw/zinc/36/85/59/607368559.db2.gz SQVKQVQHUMYVHD-JTQLQIEISA-N -1 3 392.510 3.506 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2cc(-c3nn[n-]n3)ccc2OC)n1 ZINC000821449380 607368561 /nfs/dbraw/zinc/36/85/61/607368561.db2.gz SQVKQVQHUMYVHD-JTQLQIEISA-N -1 3 392.510 3.506 20 0 GHADHM C[C@H](CNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736190437 599328884 /nfs/dbraw/zinc/32/88/84/599328884.db2.gz RZHUBDVGQBKXLZ-PMPSAXMXSA-N -1 3 395.532 3.969 20 0 GHADHM C[C@H](CNC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736190437 599328887 /nfs/dbraw/zinc/32/88/87/599328887.db2.gz RZHUBDVGQBKXLZ-PMPSAXMXSA-N -1 3 395.532 3.969 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737140830 599329228 /nfs/dbraw/zinc/32/92/28/599329228.db2.gz GBGMGIAICGKGAX-UONOGXRCSA-N -1 3 397.504 3.547 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737140830 599329231 /nfs/dbraw/zinc/32/92/31/599329231.db2.gz GBGMGIAICGKGAX-UONOGXRCSA-N -1 3 397.504 3.547 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187969 599330467 /nfs/dbraw/zinc/33/04/67/599330467.db2.gz FDPPDMQQMMAVSF-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187969 599330469 /nfs/dbraw/zinc/33/04/69/599330469.db2.gz FDPPDMQQMMAVSF-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191847 599331131 /nfs/dbraw/zinc/33/11/31/599331131.db2.gz XFONOUTYNATRTJ-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191847 599331133 /nfs/dbraw/zinc/33/11/33/599331133.db2.gz XFONOUTYNATRTJ-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427898 599333551 /nfs/dbraw/zinc/33/35/51/599333551.db2.gz JKHQBISZIITQLZ-CABCVRRESA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccccc1CNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427898 599333553 /nfs/dbraw/zinc/33/35/53/599333553.db2.gz JKHQBISZIITQLZ-CABCVRRESA-N -1 3 381.505 3.674 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000819959034 599348814 /nfs/dbraw/zinc/34/88/14/599348814.db2.gz VRNBNAXCKDUDGV-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM CC(C)(C)c1ccc(CCNC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000819959034 599348816 /nfs/dbraw/zinc/34/88/16/599348816.db2.gz VRNBNAXCKDUDGV-UHFFFAOYSA-N -1 3 395.532 3.615 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820555888 599349696 /nfs/dbraw/zinc/34/96/96/599349696.db2.gz QNUBPIFTAADKFT-UONOGXRCSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820555888 599349699 /nfs/dbraw/zinc/34/96/99/599349699.db2.gz QNUBPIFTAADKFT-UONOGXRCSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H](Nc1cccc(I)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460754 599362945 /nfs/dbraw/zinc/36/29/45/599362945.db2.gz BMHSHEZQZSAVDZ-JTQLQIEISA-N -1 3 391.216 3.644 20 0 GHADHM C[C@H](Nc1cccc(I)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460754 599362948 /nfs/dbraw/zinc/36/29/48/599362948.db2.gz BMHSHEZQZSAVDZ-JTQLQIEISA-N -1 3 391.216 3.644 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(F)(F)F ZINC000821835690 599367932 /nfs/dbraw/zinc/36/79/32/599367932.db2.gz PPMRQILAMFBGCM-LLVKDONJSA-N -1 3 393.369 3.990 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(F)(F)F ZINC000821835690 599367935 /nfs/dbraw/zinc/36/79/35/599367935.db2.gz PPMRQILAMFBGCM-LLVKDONJSA-N -1 3 393.369 3.990 20 0 GHADHM CCc1ccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736684665 599369498 /nfs/dbraw/zinc/36/94/98/599369498.db2.gz ZCIUFLNECGBGIE-UHFFFAOYSA-N -1 3 386.912 3.612 20 0 GHADHM CCc1ccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736684665 599369500 /nfs/dbraw/zinc/36/95/00/599369500.db2.gz ZCIUFLNECGBGIE-UHFFFAOYSA-N -1 3 386.912 3.612 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000821516848 599371598 /nfs/dbraw/zinc/37/15/98/599371598.db2.gz DKIUWNHEGHZQPV-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000821516848 599371601 /nfs/dbraw/zinc/37/16/01/599371601.db2.gz DKIUWNHEGHZQPV-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc(Cl)cn1 ZINC000738185924 599374879 /nfs/dbraw/zinc/37/48/79/599374879.db2.gz UNBNPUJXCFIOEC-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000736110101 599377454 /nfs/dbraw/zinc/37/74/54/599377454.db2.gz FRYXHKKKAUYNJL-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736110101 599377457 /nfs/dbraw/zinc/37/74/57/599377457.db2.gz FRYXHKKKAUYNJL-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM Cc1noc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000822520349 599387277 /nfs/dbraw/zinc/38/72/77/599387277.db2.gz YQPCQVSZURDCDZ-SNVBAGLBSA-N -1 3 381.371 3.663 20 0 GHADHM Cc1noc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000822520349 599387280 /nfs/dbraw/zinc/38/72/80/599387280.db2.gz YQPCQVSZURDCDZ-SNVBAGLBSA-N -1 3 381.371 3.663 20 0 GHADHM C[C@@H](N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404479 599388194 /nfs/dbraw/zinc/38/81/94/599388194.db2.gz WHCHEBYSTXCNPP-IIBYNOLFSA-N -1 3 398.470 3.897 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415101 607372525 /nfs/dbraw/zinc/37/25/25/607372525.db2.gz RMTRUJZXANCRKT-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415101 607372526 /nfs/dbraw/zinc/37/25/26/607372526.db2.gz RMTRUJZXANCRKT-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737490494 599397190 /nfs/dbraw/zinc/39/71/90/599397190.db2.gz VMMMJONVTBSFOJ-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737490494 599397193 /nfs/dbraw/zinc/39/71/93/599397193.db2.gz VMMMJONVTBSFOJ-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM Cc1nc2ccccc2nc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822463474 607373451 /nfs/dbraw/zinc/37/34/51/607373451.db2.gz TUTRMAGXLQFHNK-UHFFFAOYSA-N -1 3 375.436 3.518 20 0 GHADHM Cc1nc2ccccc2nc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822463474 607373453 /nfs/dbraw/zinc/37/34/53/607373453.db2.gz TUTRMAGXLQFHNK-UHFFFAOYSA-N -1 3 375.436 3.518 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000738278908 599403154 /nfs/dbraw/zinc/40/31/54/599403154.db2.gz PFODZMDVJLNICP-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000738278908 599403155 /nfs/dbraw/zinc/40/31/55/599403155.db2.gz PFODZMDVJLNICP-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM O=C(Nc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1)C1CCC1 ZINC000738184766 599405237 /nfs/dbraw/zinc/40/52/37/599405237.db2.gz UYIHPMDTKKEFMG-UHFFFAOYSA-N -1 3 399.458 3.766 20 0 GHADHM O=C(Nc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1)C1CCC1 ZINC000738184766 599405243 /nfs/dbraw/zinc/40/52/43/599405243.db2.gz UYIHPMDTKKEFMG-UHFFFAOYSA-N -1 3 399.458 3.766 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820298875 599419752 /nfs/dbraw/zinc/41/97/52/599419752.db2.gz BXSOXTLAOMMYNE-QWHCGFSZSA-N -1 3 384.871 3.512 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820298875 599419754 /nfs/dbraw/zinc/41/97/54/599419754.db2.gz BXSOXTLAOMMYNE-QWHCGFSZSA-N -1 3 384.871 3.512 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000822350213 599440461 /nfs/dbraw/zinc/44/04/61/599440461.db2.gz BFWOJWQJSPPHRQ-DNVCBOLYSA-N -1 3 378.480 3.933 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000822350213 599440464 /nfs/dbraw/zinc/44/04/64/599440464.db2.gz BFWOJWQJSPPHRQ-DNVCBOLYSA-N -1 3 378.480 3.933 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000821105019 599447681 /nfs/dbraw/zinc/44/76/81/599447681.db2.gz VQVWUVMFPAYSLV-DENIHFKCSA-N -1 3 390.491 3.519 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000821105019 599447684 /nfs/dbraw/zinc/44/76/84/599447684.db2.gz VQVWUVMFPAYSLV-DENIHFKCSA-N -1 3 390.491 3.519 20 0 GHADHM C[C@H](NC(=O)NCCc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820364646 599474056 /nfs/dbraw/zinc/47/40/56/599474056.db2.gz CYGOJCNPKWSCTL-ZDUSSCGKSA-N -1 3 392.488 3.684 20 0 GHADHM C[C@H](NC(=O)NCCc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820364646 599474059 /nfs/dbraw/zinc/47/40/59/599474059.db2.gz CYGOJCNPKWSCTL-ZDUSSCGKSA-N -1 3 392.488 3.684 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353356 599478602 /nfs/dbraw/zinc/47/86/02/599478602.db2.gz ZITUIQPBRADDLA-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353356 599478605 /nfs/dbraw/zinc/47/86/05/599478605.db2.gz ZITUIQPBRADDLA-AUUYWEPGSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353345 599479064 /nfs/dbraw/zinc/47/90/64/599479064.db2.gz YWECQWAWKWIRPX-WMZOPIPTSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353345 599479067 /nfs/dbraw/zinc/47/90/67/599479067.db2.gz YWECQWAWKWIRPX-WMZOPIPTSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822229552 599482244 /nfs/dbraw/zinc/48/22/44/599482244.db2.gz WVLWYSMZWFRNLK-JKSUJKDBSA-N -1 3 378.480 3.947 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822229552 599482245 /nfs/dbraw/zinc/48/22/45/599482245.db2.gz WVLWYSMZWFRNLK-JKSUJKDBSA-N -1 3 378.480 3.947 20 0 GHADHM CC(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820092531 599482262 /nfs/dbraw/zinc/48/22/62/599482262.db2.gz NLPJHVQBEPQIHV-INIZCTEOSA-N -1 3 378.480 3.796 20 0 GHADHM CC(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820092531 599482264 /nfs/dbraw/zinc/48/22/64/599482264.db2.gz NLPJHVQBEPQIHV-INIZCTEOSA-N -1 3 378.480 3.796 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339257 599484974 /nfs/dbraw/zinc/48/49/74/599484974.db2.gz ANTRGMZSIJFOBS-ZRGWGRIASA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339257 599484976 /nfs/dbraw/zinc/48/49/76/599484976.db2.gz ANTRGMZSIJFOBS-ZRGWGRIASA-N -1 3 376.464 3.515 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000823530096 599491581 /nfs/dbraw/zinc/49/15/81/599491581.db2.gz CNNGIJRBTPUJIQ-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM O=C1CCCCN1c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000823530096 599491584 /nfs/dbraw/zinc/49/15/84/599491584.db2.gz CNNGIJRBTPUJIQ-UHFFFAOYSA-N -1 3 382.855 3.649 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1cccc(-c2nnn[n-]2)c1 ZINC000820397139 599499541 /nfs/dbraw/zinc/49/95/41/599499541.db2.gz MDJJGHIXQQDEII-CQSZACIVSA-N -1 3 381.439 3.929 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1cccc(-c2nn[n-]n2)c1 ZINC000820397139 599499544 /nfs/dbraw/zinc/49/95/44/599499544.db2.gz MDJJGHIXQQDEII-CQSZACIVSA-N -1 3 381.439 3.929 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc(Cl)cn1 ZINC000738236876 599500973 /nfs/dbraw/zinc/50/09/73/599500973.db2.gz UAXMWMHDGXBGJF-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc(Cl)cn1 ZINC000738236876 599500975 /nfs/dbraw/zinc/50/09/75/599500975.db2.gz UAXMWMHDGXBGJF-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000819933646 599512770 /nfs/dbraw/zinc/51/27/70/599512770.db2.gz YGWOQPDENAFVJI-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000819933646 599512772 /nfs/dbraw/zinc/51/27/72/599512772.db2.gz YGWOQPDENAFVJI-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000736134264 599517996 /nfs/dbraw/zinc/51/79/96/599517996.db2.gz ADXUEFNEFYICPJ-VIFPVBQESA-N -1 3 377.326 3.787 20 0 GHADHM Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822229458 599525399 /nfs/dbraw/zinc/52/53/99/599525399.db2.gz VGNWEAIMYRZOON-HNNXBMFYSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822229458 599525403 /nfs/dbraw/zinc/52/54/03/599525403.db2.gz VGNWEAIMYRZOON-HNNXBMFYSA-N -1 3 379.464 3.555 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821077600 599532212 /nfs/dbraw/zinc/53/22/12/599532212.db2.gz NBJYTKJQTPXXKI-AWEZNQCLSA-N -1 3 395.463 3.545 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821077600 599532215 /nfs/dbraw/zinc/53/22/15/599532215.db2.gz NBJYTKJQTPXXKI-AWEZNQCLSA-N -1 3 395.463 3.545 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1ccsc1 ZINC000736628632 599539043 /nfs/dbraw/zinc/53/90/43/599539043.db2.gz RXUAFPBNVAUISV-SECBINFHSA-N -1 3 378.841 3.689 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1ccsc1 ZINC000736628632 599539046 /nfs/dbraw/zinc/53/90/46/599539046.db2.gz RXUAFPBNVAUISV-SECBINFHSA-N -1 3 378.841 3.689 20 0 GHADHM C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321975 599540923 /nfs/dbraw/zinc/54/09/23/599540923.db2.gz OYVZGJZMHGNLSG-CQSZACIVSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321975 599540924 /nfs/dbraw/zinc/54/09/24/599540924.db2.gz OYVZGJZMHGNLSG-CQSZACIVSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335191 599544141 /nfs/dbraw/zinc/54/41/41/599544141.db2.gz VMYICKZHCLFHAJ-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335191 599544143 /nfs/dbraw/zinc/54/41/43/599544143.db2.gz VMYICKZHCLFHAJ-CQSZACIVSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333436 599544218 /nfs/dbraw/zinc/54/42/18/599544218.db2.gz BPMYFVMJXAJWKK-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333436 599544220 /nfs/dbraw/zinc/54/42/20/599544220.db2.gz BPMYFVMJXAJWKK-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333437 599544244 /nfs/dbraw/zinc/54/42/44/599544244.db2.gz BPMYFVMJXAJWKK-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333437 599544246 /nfs/dbraw/zinc/54/42/46/599544246.db2.gz BPMYFVMJXAJWKK-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396802 599544403 /nfs/dbraw/zinc/54/44/03/599544403.db2.gz IGXWLNBTGWKIKH-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396802 599544406 /nfs/dbraw/zinc/54/44/06/599544406.db2.gz IGXWLNBTGWKIKH-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CCCO[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000821127853 599546487 /nfs/dbraw/zinc/54/64/87/599546487.db2.gz MNWUPOBVXDQYLA-INIZCTEOSA-N -1 3 380.496 3.817 20 0 GHADHM CCCO[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000821127853 599546489 /nfs/dbraw/zinc/54/64/89/599546489.db2.gz MNWUPOBVXDQYLA-INIZCTEOSA-N -1 3 380.496 3.817 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736304434 599600973 /nfs/dbraw/zinc/60/09/73/599600973.db2.gz VYCRTZMXYNCHJS-LBPRGKRZSA-N -1 3 397.458 3.714 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736304434 599600975 /nfs/dbraw/zinc/60/09/75/599600975.db2.gz VYCRTZMXYNCHJS-LBPRGKRZSA-N -1 3 397.458 3.714 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737336169 599601739 /nfs/dbraw/zinc/60/17/39/599601739.db2.gz YHTNBTQCAADMHI-JKSUJKDBSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737336169 599601740 /nfs/dbraw/zinc/60/17/40/599601740.db2.gz YHTNBTQCAADMHI-JKSUJKDBSA-N -1 3 378.480 3.509 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737056968 599610305 /nfs/dbraw/zinc/61/03/05/599610305.db2.gz FGTWMQINTNUQEU-ZBFHGGJFSA-N -1 3 392.463 3.594 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737056968 599610307 /nfs/dbraw/zinc/61/03/07/599610307.db2.gz FGTWMQINTNUQEU-ZBFHGGJFSA-N -1 3 392.463 3.594 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737420534 599612102 /nfs/dbraw/zinc/61/21/02/599612102.db2.gz JPJAWCXZANUPKX-KBPBESRZSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737420534 599612104 /nfs/dbraw/zinc/61/21/04/599612104.db2.gz JPJAWCXZANUPKX-KBPBESRZSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737320939 599614849 /nfs/dbraw/zinc/61/48/49/599614849.db2.gz RMSZGFTUORYSHL-QGZVFWFLSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000737320939 599614851 /nfs/dbraw/zinc/61/48/51/599614851.db2.gz RMSZGFTUORYSHL-QGZVFWFLSA-N -1 3 392.507 3.899 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1ccc(C(F)(F)F)cc1 ZINC000822935889 599625726 /nfs/dbraw/zinc/62/57/26/599625726.db2.gz PBOLASAQRYDBOY-YFHOEESVSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1ccc(C(F)(F)F)cc1 ZINC000822935889 599625727 /nfs/dbraw/zinc/62/57/27/599625727.db2.gz PBOLASAQRYDBOY-YFHOEESVSA-N -1 3 388.349 3.685 20 0 GHADHM CN(C(=O)C1CCC(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569453 599630372 /nfs/dbraw/zinc/63/03/72/599630372.db2.gz KTVLOBPFCDSARJ-UHFFFAOYSA-N -1 3 379.439 3.943 20 0 GHADHM CN(C(=O)C1CCC(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569453 599630373 /nfs/dbraw/zinc/63/03/73/599630373.db2.gz KTVLOBPFCDSARJ-UHFFFAOYSA-N -1 3 379.439 3.943 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736250793 599655701 /nfs/dbraw/zinc/65/57/01/599655701.db2.gz MLIPPGFUMQNOIZ-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736250793 599655702 /nfs/dbraw/zinc/65/57/02/599655702.db2.gz MLIPPGFUMQNOIZ-IYBDPMFKSA-N -1 3 391.475 3.849 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821016462 599661469 /nfs/dbraw/zinc/66/14/69/599661469.db2.gz WXQSGFXXYSEWKM-GDBMZVCRSA-N -1 3 399.495 3.734 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821016462 599661470 /nfs/dbraw/zinc/66/14/70/599661470.db2.gz WXQSGFXXYSEWKM-GDBMZVCRSA-N -1 3 399.495 3.734 20 0 GHADHM CCCCC[C@@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821050569 599668315 /nfs/dbraw/zinc/66/83/15/599668315.db2.gz RWSYHFRVGFENCD-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@@H](C)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821050569 599668316 /nfs/dbraw/zinc/66/83/16/599668316.db2.gz RWSYHFRVGFENCD-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822299745 599668423 /nfs/dbraw/zinc/66/84/23/599668423.db2.gz UCBMLNOFCSJONX-FQEVSTJZSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299745 599668424 /nfs/dbraw/zinc/66/84/24/599668424.db2.gz UCBMLNOFCSJONX-FQEVSTJZSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822233805 599678912 /nfs/dbraw/zinc/67/89/12/599678912.db2.gz VKOLGSBSCOOKPN-KRWDZBQOSA-N -1 3 398.442 3.734 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822233805 599678913 /nfs/dbraw/zinc/67/89/13/599678913.db2.gz VKOLGSBSCOOKPN-KRWDZBQOSA-N -1 3 398.442 3.734 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820717320 599682225 /nfs/dbraw/zinc/68/22/25/599682225.db2.gz PPSNOZSFOZKXCH-JKIFEVAISA-N -1 3 380.452 3.704 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820717320 599682226 /nfs/dbraw/zinc/68/22/26/599682226.db2.gz PPSNOZSFOZKXCH-JKIFEVAISA-N -1 3 380.452 3.704 20 0 GHADHM CC[C@H]1Oc2cc([C@H](C)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2NC1=O ZINC000821002352 599689305 /nfs/dbraw/zinc/68/93/05/599689305.db2.gz WCTMEMNAZXLWAC-MGPLVRAMSA-N -1 3 398.854 3.803 20 0 GHADHM CC[C@H]1Oc2cc([C@H](C)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2NC1=O ZINC000821002352 599689306 /nfs/dbraw/zinc/68/93/06/599689306.db2.gz WCTMEMNAZXLWAC-MGPLVRAMSA-N -1 3 398.854 3.803 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000820169649 607397420 /nfs/dbraw/zinc/39/74/20/607397420.db2.gz MFPKUPYBAMSUJS-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000820169649 607397421 /nfs/dbraw/zinc/39/74/21/607397421.db2.gz MFPKUPYBAMSUJS-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(Br)s1 ZINC000826261562 607403656 /nfs/dbraw/zinc/40/36/56/607403656.db2.gz JWMQPYXABMDHDK-UHFFFAOYSA-N -1 3 393.266 3.665 20 0 GHADHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(Br)s1 ZINC000826261562 607403657 /nfs/dbraw/zinc/40/36/57/607403657.db2.gz JWMQPYXABMDHDK-UHFFFAOYSA-N -1 3 393.266 3.665 20 0 GHADHM O=C([O-])c1sc2ccccc2c1CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000740278563 599938028 /nfs/dbraw/zinc/93/80/28/599938028.db2.gz HXEGXPDOPZLVGM-UHFFFAOYSA-N -1 3 394.496 3.948 20 0 GHADHM COc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)N2CCCC2)cc1 ZINC000737957655 600015708 /nfs/dbraw/zinc/01/57/08/600015708.db2.gz RFVOTNXSAVNVKA-FQEVSTJZSA-N -1 3 397.475 3.660 20 0 GHADHM Cc1cc(CCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)s1 ZINC000826266175 607415846 /nfs/dbraw/zinc/41/58/46/607415846.db2.gz FQIJRLZMTBCYER-UHFFFAOYSA-N -1 3 381.505 3.673 20 0 GHADHM Cc1cc(CCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)s1 ZINC000826266175 607415847 /nfs/dbraw/zinc/41/58/47/607415847.db2.gz FQIJRLZMTBCYER-UHFFFAOYSA-N -1 3 381.505 3.673 20 0 GHADHM CCSCc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825675072 607418730 /nfs/dbraw/zinc/41/87/30/607418730.db2.gz VRHFVWXRWDYQTJ-UHFFFAOYSA-N -1 3 379.489 3.539 20 0 GHADHM CCSCc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825675072 607418731 /nfs/dbraw/zinc/41/87/31/607418731.db2.gz VRHFVWXRWDYQTJ-UHFFFAOYSA-N -1 3 379.489 3.539 20 0 GHADHM CN(CC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000737413423 600104599 /nfs/dbraw/zinc/10/45/99/600104599.db2.gz NVWLJZUASWMOMN-UHFFFAOYSA-N -1 3 380.460 3.603 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1-c1nnn[n-]1 ZINC000820164153 607425248 /nfs/dbraw/zinc/42/52/48/607425248.db2.gz FPIAYUWARIUXPY-JKIFEVAISA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000820164153 607425250 /nfs/dbraw/zinc/42/52/50/607425250.db2.gz FPIAYUWARIUXPY-JKIFEVAISA-N -1 3 384.484 3.839 20 0 GHADHM O=C(CCCCCc1cccs1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826406297 607425836 /nfs/dbraw/zinc/42/58/36/607425836.db2.gz QEUVSVUKALVYMQ-UHFFFAOYSA-N -1 3 381.505 3.837 20 0 GHADHM O=C(CCCCCc1cccs1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826406297 607425837 /nfs/dbraw/zinc/42/58/37/607425837.db2.gz QEUVSVUKALVYMQ-UHFFFAOYSA-N -1 3 381.505 3.837 20 0 GHADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822355976 607427175 /nfs/dbraw/zinc/42/71/75/607427175.db2.gz FGESXECPJVFQHM-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822355976 607427177 /nfs/dbraw/zinc/42/71/77/607427177.db2.gz FGESXECPJVFQHM-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000822232909 607428768 /nfs/dbraw/zinc/42/87/68/607428768.db2.gz DVBLXCKLEZYBQD-INIZCTEOSA-N -1 3 396.451 3.924 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000822232909 607428771 /nfs/dbraw/zinc/42/87/71/607428771.db2.gz DVBLXCKLEZYBQD-INIZCTEOSA-N -1 3 396.451 3.924 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1-c1nnn[n-]1 ZINC000820165233 607429100 /nfs/dbraw/zinc/42/91/00/607429100.db2.gz OMUDNKDFJZGJDA-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1-c1nn[n-]n1 ZINC000820165233 607429101 /nfs/dbraw/zinc/42/91/01/607429101.db2.gz OMUDNKDFJZGJDA-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CN(C(=O)c1ccc(Br)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829875 607434059 /nfs/dbraw/zinc/43/40/59/607434059.db2.gz JPPPNUGBDJEWCO-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Br)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829875 607434060 /nfs/dbraw/zinc/43/40/60/607434060.db2.gz JPPPNUGBDJEWCO-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CC[C@@](NCc1cc2c(c(Br)c1)OCO2)(C(=O)[O-])c1ccccc1 ZINC000736915991 600303699 /nfs/dbraw/zinc/30/36/99/600303699.db2.gz GORHTHXWLNUDCP-SFHVURJKSA-N -1 3 392.249 3.658 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1-c1nnn[n-]1 ZINC000820168798 607440583 /nfs/dbraw/zinc/44/05/83/607440583.db2.gz AUVKEYIRAHUYGG-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1-c1nn[n-]n1 ZINC000820168798 607440585 /nfs/dbraw/zinc/44/05/85/607440585.db2.gz AUVKEYIRAHUYGG-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812630 607441273 /nfs/dbraw/zinc/44/12/73/607441273.db2.gz OZPBIBBPZXCXKH-JKSUJKDBSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812630 607441275 /nfs/dbraw/zinc/44/12/75/607441275.db2.gz OZPBIBBPZXCXKH-JKSUJKDBSA-N -1 3 388.258 3.940 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000739223034 600402003 /nfs/dbraw/zinc/40/20/03/600402003.db2.gz MXZYRIDETXKAJC-IBGZPJMESA-N -1 3 378.900 3.627 20 0 GHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000738761275 600434402 /nfs/dbraw/zinc/43/44/02/600434402.db2.gz RVLLRAAAKYAHMJ-AEFFLSMTSA-N -1 3 381.476 3.579 20 0 GHADHM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000389287912 600513533 /nfs/dbraw/zinc/51/35/33/600513533.db2.gz CIVVYTMFTRGHDB-MRXNPFEDSA-N -1 3 387.867 3.824 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826427360 607456177 /nfs/dbraw/zinc/45/61/77/607456177.db2.gz NIOKMWSDQCDPNW-IBGZPJMESA-N -1 3 388.475 3.696 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826427360 607456178 /nfs/dbraw/zinc/45/61/78/607456178.db2.gz NIOKMWSDQCDPNW-IBGZPJMESA-N -1 3 388.475 3.696 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)ccc1F ZINC000825134577 607456787 /nfs/dbraw/zinc/45/67/87/607456787.db2.gz VETDWNDZOWYHGJ-KRWDZBQOSA-N -1 3 398.417 3.585 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)ccc1F ZINC000825134577 607456788 /nfs/dbraw/zinc/45/67/88/607456788.db2.gz VETDWNDZOWYHGJ-KRWDZBQOSA-N -1 3 398.417 3.585 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc3c(c1)CCC3)CC2 ZINC000737906235 600626646 /nfs/dbraw/zinc/62/66/46/600626646.db2.gz YOIVWCBQTDLIKV-FQEVSTJZSA-N -1 3 381.472 3.767 20 0 GHADHM C[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Br)c1 ZINC000827502364 600758487 /nfs/dbraw/zinc/75/84/87/600758487.db2.gz KOFFLCQQCMDTMY-MEDUHNTESA-N -1 3 382.229 3.771 20 0 GHADHM Fc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000826374640 607471825 /nfs/dbraw/zinc/47/18/25/607471825.db2.gz HCAIVIXNVHKBOE-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1-c1nn[n-]n1 ZINC000826374640 607471827 /nfs/dbraw/zinc/47/18/27/607471827.db2.gz HCAIVIXNVHKBOE-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Cc1ccc(C[C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2ccccn2)cc1 ZINC000822234666 607482264 /nfs/dbraw/zinc/48/22/64/607482264.db2.gz CYHTUILOJWGWHS-OAQYLSRUSA-N -1 3 388.450 3.783 20 0 GHADHM CC[C@@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000829152702 601114458 /nfs/dbraw/zinc/11/44/58/601114458.db2.gz ZJVMDXPIDIVRCM-NQIIRXRSSA-N -1 3 395.503 3.908 20 0 GHADHM C[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1ccccc1Br ZINC000827501830 601150732 /nfs/dbraw/zinc/15/07/32/601150732.db2.gz DUDPEUPWBQOMGQ-MEDUHNTESA-N -1 3 382.229 3.771 20 0 GHADHM C[C@H](CN[C@H](C(=O)[O-])c1ccccc1F)Oc1ccccc1Br ZINC000827501829 601150797 /nfs/dbraw/zinc/15/07/97/601150797.db2.gz DUDPEUPWBQOMGQ-BZNIZROVSA-N -1 3 382.229 3.771 20 0 GHADHM CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159359 607499075 /nfs/dbraw/zinc/49/90/75/607499075.db2.gz BBSJQSZLYIKPPY-HNNXBMFYSA-N -1 3 386.459 3.947 20 0 GHADHM CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159359 607499076 /nfs/dbraw/zinc/49/90/76/607499076.db2.gz BBSJQSZLYIKPPY-HNNXBMFYSA-N -1 3 386.459 3.947 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823323309 607503246 /nfs/dbraw/zinc/50/32/46/607503246.db2.gz KIZUZCSYPKPUCR-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823323309 607503247 /nfs/dbraw/zinc/50/32/47/607503247.db2.gz KIZUZCSYPKPUCR-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM COc1cc(NC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)cc(OC)c1 ZINC000832025803 601597840 /nfs/dbraw/zinc/59/78/40/601597840.db2.gz DISOFNNJSLHACF-HXUWFJFHSA-N -1 3 388.439 3.545 20 0 GHADHM COc1ccccc1NC(=O)C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000832622407 601619301 /nfs/dbraw/zinc/61/93/01/601619301.db2.gz AZMVOIPHJNVULV-UHFFFAOYSA-N -1 3 388.489 3.614 20 0 GHADHM CN(C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1)C(=O)OC(C)(C)C ZINC000830718779 601625455 /nfs/dbraw/zinc/62/54/55/601625455.db2.gz YKPWSRVHMHMWPF-HNNXBMFYSA-N -1 3 380.460 3.603 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832890538 601650984 /nfs/dbraw/zinc/65/09/84/601650984.db2.gz HJYZCAVHYDTBRU-VGSWGCGISA-N -1 3 395.503 3.585 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000826055420 601651308 /nfs/dbraw/zinc/65/13/08/601651308.db2.gz ZZZIIZDFCFKMOX-LAUBAEHRSA-N -1 3 380.488 3.864 20 0 GHADHM Cc1cc(C)n(-c2ccc(CNCc3c[nH]c(C(=O)[O-])c3)c(C(F)(F)F)c2)n1 ZINC000832879884 601832941 /nfs/dbraw/zinc/83/29/41/601832941.db2.gz XNWJSVAPFWBWKN-UHFFFAOYSA-N -1 3 392.381 3.824 20 0 GHADHM COc1ccc(CNC(=S)Nc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826202100 607529944 /nfs/dbraw/zinc/52/99/44/607529944.db2.gz NZZMUDFIRUMTNE-UHFFFAOYSA-N -1 3 390.472 3.515 20 0 GHADHM COc1ccc(CNC(=S)Nc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826202100 607529945 /nfs/dbraw/zinc/52/99/45/607529945.db2.gz NZZMUDFIRUMTNE-UHFFFAOYSA-N -1 3 390.472 3.515 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825669385 607535516 /nfs/dbraw/zinc/53/55/16/607535516.db2.gz WUZQNJKIERHSQH-SNVBAGLBSA-N -1 3 392.510 3.506 20 0 GHADHM CCS[C@H](C)c1noc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825669385 607535518 /nfs/dbraw/zinc/53/55/18/607535518.db2.gz WUZQNJKIERHSQH-SNVBAGLBSA-N -1 3 392.510 3.506 20 0 GHADHM COc1ccccc1[C@H](CNCc1cnc(-c2ccccc2)s1)NC(=O)[O-] ZINC000739965017 602050725 /nfs/dbraw/zinc/05/07/25/602050725.db2.gz UVJWXDCECMVYNI-KRWDZBQOSA-N -1 3 383.473 3.917 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825028393 607577588 /nfs/dbraw/zinc/57/75/88/607577588.db2.gz HQEVAWIBISYHLS-MRPLLJTBSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825028393 607577590 /nfs/dbraw/zinc/57/75/90/607577590.db2.gz HQEVAWIBISYHLS-MRPLLJTBSA-N -1 3 377.448 3.546 20 0 GHADHM CC[C@@H](SC)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000825160404 607578158 /nfs/dbraw/zinc/57/81/58/607578158.db2.gz ZTPXQXWNIPSJEL-GOSISDBHSA-N -1 3 399.495 3.676 20 0 GHADHM CC[C@@H](SC)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000825160404 607578160 /nfs/dbraw/zinc/57/81/60/607578160.db2.gz ZTPXQXWNIPSJEL-GOSISDBHSA-N -1 3 399.495 3.676 20 0 GHADHM CC1=C(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000824853054 607585478 /nfs/dbraw/zinc/58/54/78/607585478.db2.gz VWRCKYBRIVIGID-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM CC1=C(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000824853054 607585479 /nfs/dbraw/zinc/58/54/79/607585479.db2.gz VWRCKYBRIVIGID-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739059419 603033696 /nfs/dbraw/zinc/03/36/96/603033696.db2.gz OVLGSKLAVGXDIH-XJKSGUPXSA-N -1 3 386.427 3.873 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739060318 603228558 /nfs/dbraw/zinc/22/85/58/603228558.db2.gz RXFQUUNJTLATBY-CJNGLKHVSA-N -1 3 387.867 3.995 20 0 GHADHM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000829187858 603317560 /nfs/dbraw/zinc/31/75/60/603317560.db2.gz ORXHYSBKSMYGEN-UHFFFAOYSA-N -1 3 377.828 3.752 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccccc3CN(C)C(=O)[O-])CC2)CC1 ZINC000739088981 603333740 /nfs/dbraw/zinc/33/37/40/603333740.db2.gz WZMHKIQARQMURY-UHFFFAOYSA-N -1 3 388.512 3.525 20 0 GHADHM C[C@@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645411 603636925 /nfs/dbraw/zinc/63/69/25/603636925.db2.gz OCCJPZRKKRIIOZ-KDOFPFPSSA-N -1 3 380.448 3.911 20 0 GHADHM C[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000825115910 603787143 /nfs/dbraw/zinc/78/71/43/603787143.db2.gz UZFSDJHJFJRFLP-FAEJEUNOSA-N -1 3 383.492 3.528 20 0 GHADHM O=C([O-])N1CCc2cccc(CNC[C@@H](O)c3ccccc3C(F)(F)F)c21 ZINC000832087736 603856658 /nfs/dbraw/zinc/85/66/58/603856658.db2.gz ZEKJFESPOUMCID-MRXNPFEDSA-N -1 3 380.366 3.569 20 0 GHADHM O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421418 607658728 /nfs/dbraw/zinc/65/87/28/607658728.db2.gz HGAWLPDXDNTMPD-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421418 607658731 /nfs/dbraw/zinc/65/87/31/607658731.db2.gz HGAWLPDXDNTMPD-UHFFFAOYSA-N -1 3 398.835 3.545 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000826244929 607661635 /nfs/dbraw/zinc/66/16/35/607661635.db2.gz HZVBLAYTCCYTSF-MRXNPFEDSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000826244929 607661636 /nfs/dbraw/zinc/66/16/36/607661636.db2.gz HZVBLAYTCCYTSF-MRXNPFEDSA-N -1 3 397.866 3.512 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1OC(F)F ZINC000825133606 607662361 /nfs/dbraw/zinc/66/23/61/607662361.db2.gz OITMWIBFQJNXHL-OAHLLOKOSA-N -1 3 387.390 3.658 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1OC(F)F ZINC000825133606 607662363 /nfs/dbraw/zinc/66/23/63/607662363.db2.gz OITMWIBFQJNXHL-OAHLLOKOSA-N -1 3 387.390 3.658 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)C2)cc1 ZINC000826287586 607676972 /nfs/dbraw/zinc/67/69/72/607676972.db2.gz UYUFWVYWSNXHFH-SFHVURJKSA-N -1 3 375.476 3.578 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)C2)cc1 ZINC000826287586 607676974 /nfs/dbraw/zinc/67/69/74/607676974.db2.gz UYUFWVYWSNXHFH-SFHVURJKSA-N -1 3 375.476 3.578 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826247307 607683678 /nfs/dbraw/zinc/68/36/78/607683678.db2.gz ZDEYEMZNXILEIH-UHFFFAOYSA-N -1 3 387.365 3.613 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826247307 607683680 /nfs/dbraw/zinc/68/36/80/607683680.db2.gz ZDEYEMZNXILEIH-UHFFFAOYSA-N -1 3 387.365 3.613 20 0 GHADHM COc1ccccc1-c1csc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826217986 607685768 /nfs/dbraw/zinc/68/57/68/607685768.db2.gz KMRRSPMWWJGPBX-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccccc1-c1csc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826217986 607685770 /nfs/dbraw/zinc/68/57/70/607685770.db2.gz KMRRSPMWWJGPBX-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000826246784 607686461 /nfs/dbraw/zinc/68/64/61/607686461.db2.gz LFBHAPGHORPQMM-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000826246784 607686463 /nfs/dbraw/zinc/68/64/63/607686463.db2.gz LFBHAPGHORPQMM-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000826250608 607688147 /nfs/dbraw/zinc/68/81/47/607688147.db2.gz IZZYOLIQUFYYOZ-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000826250608 607688149 /nfs/dbraw/zinc/68/81/49/607688149.db2.gz IZZYOLIQUFYYOZ-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000826250605 607688306 /nfs/dbraw/zinc/68/83/06/607688306.db2.gz IZGWHKPESYROJW-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000826250605 607688307 /nfs/dbraw/zinc/68/83/07/607688307.db2.gz IZGWHKPESYROJW-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000826244501 607692539 /nfs/dbraw/zinc/69/25/39/607692539.db2.gz VDLFVYJJDLZNTL-UHFFFAOYSA-N -1 3 395.894 3.923 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000826244501 607692541 /nfs/dbraw/zinc/69/25/41/607692541.db2.gz VDLFVYJJDLZNTL-UHFFFAOYSA-N -1 3 395.894 3.923 20 0 GHADHM CC1(C)C[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824795946 607700700 /nfs/dbraw/zinc/70/07/00/607700700.db2.gz JMIBXINQFXNGHL-SFHVURJKSA-N -1 3 379.439 3.581 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833544481 604637576 /nfs/dbraw/zinc/63/75/76/604637576.db2.gz YMWYOPKGKGRPHZ-VFNWGFHPSA-N -1 3 387.451 3.623 20 0 GHADHM CC1(C)C[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824795946 607700698 /nfs/dbraw/zinc/70/06/98/607700698.db2.gz JMIBXINQFXNGHL-SFHVURJKSA-N -1 3 379.439 3.581 20 0 GHADHM O=C([O-])[C@H](O)C1CCN(Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000833770827 604763115 /nfs/dbraw/zinc/76/31/15/604763115.db2.gz OFPQJFQNZNXYCW-HXUWFJFHSA-N -1 3 389.879 3.577 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000833411903 605179457 /nfs/dbraw/zinc/17/94/57/605179457.db2.gz FKSPPUZCHXGNPD-QGZVFWFLSA-N -1 3 392.402 3.668 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000833414662 605180455 /nfs/dbraw/zinc/18/04/55/605180455.db2.gz SRPXANZOFAZQRK-LZGZYFLISA-N -1 3 384.520 3.513 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128220 607761797 /nfs/dbraw/zinc/76/17/97/607761797.db2.gz RYMAOQRYLMQXIY-PBHICJAKSA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128220 607761798 /nfs/dbraw/zinc/76/17/98/607761798.db2.gz RYMAOQRYLMQXIY-PBHICJAKSA-N -1 3 396.520 3.798 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000824319541 607761671 /nfs/dbraw/zinc/76/16/71/607761671.db2.gz TYIXLKWHJJDNAL-QGZVFWFLSA-N -1 3 392.463 3.503 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000824319541 607761672 /nfs/dbraw/zinc/76/16/72/607761672.db2.gz TYIXLKWHJJDNAL-QGZVFWFLSA-N -1 3 392.463 3.503 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000826185357 607762555 /nfs/dbraw/zinc/76/25/55/607762555.db2.gz HRVZYYJYWWIGDR-HNNXBMFYSA-N -1 3 384.827 3.508 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000826185357 607762556 /nfs/dbraw/zinc/76/25/56/607762556.db2.gz HRVZYYJYWWIGDR-HNNXBMFYSA-N -1 3 384.827 3.508 20 0 GHADHM CC(C)(C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccs1 ZINC000824065160 607769321 /nfs/dbraw/zinc/76/93/21/607769321.db2.gz USMMQUPQKXTOQX-UHFFFAOYSA-N -1 3 396.501 3.968 20 0 GHADHM CC(C)(C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccs1 ZINC000824065160 607769322 /nfs/dbraw/zinc/76/93/22/607769322.db2.gz USMMQUPQKXTOQX-UHFFFAOYSA-N -1 3 396.501 3.968 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(C)s1 ZINC000826260831 607769580 /nfs/dbraw/zinc/76/95/80/607769580.db2.gz GNFDBQUDNATUIB-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(C)s1 ZINC000826260831 607769581 /nfs/dbraw/zinc/76/95/81/607769581.db2.gz GNFDBQUDNATUIB-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820988997 606030007 /nfs/dbraw/zinc/03/00/07/606030007.db2.gz JZWFEBGAZVTURO-VSADUAAZSA-N -1 3 387.487 3.922 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820988997 606030010 /nfs/dbraw/zinc/03/00/10/606030010.db2.gz JZWFEBGAZVTURO-VSADUAAZSA-N -1 3 387.487 3.922 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820989175 606053338 /nfs/dbraw/zinc/05/33/38/606053338.db2.gz NJIARQLBSSXLQK-YLJYHZDGSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820989175 606053344 /nfs/dbraw/zinc/05/33/44/606053344.db2.gz NJIARQLBSSXLQK-YLJYHZDGSA-N -1 3 390.491 3.592 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)s2)cc1 ZINC000821731888 606088466 /nfs/dbraw/zinc/08/84/66/606088466.db2.gz HWJFNWLAJRHZTJ-NSHDSACASA-N -1 3 393.476 3.875 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)s2)cc1 ZINC000821731888 606088469 /nfs/dbraw/zinc/08/84/69/606088469.db2.gz HWJFNWLAJRHZTJ-NSHDSACASA-N -1 3 393.476 3.875 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000822217784 606116517 /nfs/dbraw/zinc/11/65/17/606116517.db2.gz NMFUEPOMWSXQTO-ACJLOTCBSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000822217784 606116519 /nfs/dbraw/zinc/11/65/19/606116519.db2.gz NMFUEPOMWSXQTO-ACJLOTCBSA-N -1 3 380.427 3.929 20 0 GHADHM CCO[C@@H](CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000821351287 606143711 /nfs/dbraw/zinc/14/37/11/606143711.db2.gz OLUYBJRTPUOKMR-ZDUSSCGKSA-N -1 3 384.406 3.678 20 0 GHADHM CCO[C@@H](CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000821351287 606143712 /nfs/dbraw/zinc/14/37/12/606143712.db2.gz OLUYBJRTPUOKMR-ZDUSSCGKSA-N -1 3 384.406 3.678 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820563419 606149599 /nfs/dbraw/zinc/14/95/99/606149599.db2.gz QPKGQTUNZALWRY-QWRGUYRKSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820563419 606149601 /nfs/dbraw/zinc/14/96/01/606149601.db2.gz QPKGQTUNZALWRY-QWRGUYRKSA-N -1 3 375.885 3.846 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820373424 606161082 /nfs/dbraw/zinc/16/10/82/606161082.db2.gz HDDVSFQHWUUVHE-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820373424 606161083 /nfs/dbraw/zinc/16/10/83/606161083.db2.gz HDDVSFQHWUUVHE-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM CSc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821984860 606162313 /nfs/dbraw/zinc/16/23/13/606162313.db2.gz VOZROLYXLFGBLM-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM CSc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821984860 606162314 /nfs/dbraw/zinc/16/23/14/606162314.db2.gz VOZROLYXLFGBLM-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 GHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820340954 606162744 /nfs/dbraw/zinc/16/27/44/606162744.db2.gz OAGCTKCWWUCJDY-HOTGVXAUSA-N -1 3 390.491 3.733 20 0 GHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820340954 606162746 /nfs/dbraw/zinc/16/27/46/606162746.db2.gz OAGCTKCWWUCJDY-HOTGVXAUSA-N -1 3 390.491 3.733 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000822352172 606197039 /nfs/dbraw/zinc/19/70/39/606197039.db2.gz VTABRJXTUMFUQT-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000822352172 606197042 /nfs/dbraw/zinc/19/70/42/606197042.db2.gz VTABRJXTUMFUQT-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823257155 606197308 /nfs/dbraw/zinc/19/73/08/606197308.db2.gz CCURNSKXPVVZRO-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823257155 606197309 /nfs/dbraw/zinc/19/73/09/606197309.db2.gz CCURNSKXPVVZRO-HXUWFJFHSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(OCC[C@@H]1CCCC1=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823401305 606228483 /nfs/dbraw/zinc/22/84/83/606228483.db2.gz SHLMEFBBQPJOKK-AWEZNQCLSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(OCC[C@@H]1CCCC1=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823401305 606228485 /nfs/dbraw/zinc/22/84/85/606228485.db2.gz SHLMEFBBQPJOKK-AWEZNQCLSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1C2CCC1CC2 ZINC000823488232 606252004 /nfs/dbraw/zinc/25/20/04/606252004.db2.gz KIMZROAPMSBCLF-UHFFFAOYSA-N -1 3 377.473 3.785 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1C2CCC1CC2 ZINC000823488232 606252006 /nfs/dbraw/zinc/25/20/06/606252006.db2.gz KIMZROAPMSBCLF-UHFFFAOYSA-N -1 3 377.473 3.785 20 0 GHADHM CC(C)c1sc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1-c1ccccc1 ZINC000820211060 606256476 /nfs/dbraw/zinc/25/64/76/606256476.db2.gz BDHOVCQRFNCSDS-UHFFFAOYSA-N -1 3 379.449 3.694 20 0 GHADHM CC(C)c1sc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1-c1ccccc1 ZINC000820211060 606256477 /nfs/dbraw/zinc/25/64/77/606256477.db2.gz BDHOVCQRFNCSDS-UHFFFAOYSA-N -1 3 379.449 3.694 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820534206 606261353 /nfs/dbraw/zinc/26/13/53/606261353.db2.gz KASDNQORIMYRIR-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820534206 606261355 /nfs/dbraw/zinc/26/13/55/606261355.db2.gz KASDNQORIMYRIR-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM CCc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n[nH]1 ZINC000821470617 606263817 /nfs/dbraw/zinc/26/38/17/606263817.db2.gz QWKFDPGKFWFTAH-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM CCc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n[nH]1 ZINC000821470617 606263818 /nfs/dbraw/zinc/26/38/18/606263818.db2.gz QWKFDPGKFWFTAH-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822229493 606266825 /nfs/dbraw/zinc/26/68/25/606266825.db2.gz VVGOXHFPSZJOQL-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822229493 606266827 /nfs/dbraw/zinc/26/68/27/606266827.db2.gz VVGOXHFPSZJOQL-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820536080 606271423 /nfs/dbraw/zinc/27/14/23/606271423.db2.gz RVSCGFVPFUXLAX-GFCCVEGCSA-N -1 3 383.427 3.709 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820536080 606271424 /nfs/dbraw/zinc/27/14/24/606271424.db2.gz RVSCGFVPFUXLAX-GFCCVEGCSA-N -1 3 383.427 3.709 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(SC(F)(F)F)cc1 ZINC000823346950 606273408 /nfs/dbraw/zinc/27/34/08/606273408.db2.gz UKVNZYPUPFOLGK-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(SC(F)(F)F)cc1 ZINC000823346950 606273410 /nfs/dbraw/zinc/27/34/10/606273410.db2.gz UKVNZYPUPFOLGK-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM CCN(C(=O)Cc1coc2cc(F)ccc12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154374 606284389 /nfs/dbraw/zinc/28/43/89/606284389.db2.gz MXLOQQZJOCPFNE-ZDUSSCGKSA-N -1 3 393.422 3.904 20 0 GHADHM CCN(C(=O)Cc1coc2cc(F)ccc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821154374 606284391 /nfs/dbraw/zinc/28/43/91/606284391.db2.gz MXLOQQZJOCPFNE-ZDUSSCGKSA-N -1 3 393.422 3.904 20 0 GHADHM O=C1[C@H](SCc2cccc(Cl)c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512382 606311271 /nfs/dbraw/zinc/31/12/71/606311271.db2.gz OHJHSEPCKMSCPQ-CYBMUJFWSA-N -1 3 391.909 3.620 20 0 GHADHM O=C1[C@H](SCc2cccc(Cl)c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512382 606311272 /nfs/dbraw/zinc/31/12/72/606311272.db2.gz OHJHSEPCKMSCPQ-CYBMUJFWSA-N -1 3 391.909 3.620 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822462376 606341880 /nfs/dbraw/zinc/34/18/80/606341880.db2.gz IJLJQMHAXHJXPS-OAHLLOKOSA-N -1 3 387.443 3.879 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822462376 606341883 /nfs/dbraw/zinc/34/18/83/606341883.db2.gz IJLJQMHAXHJXPS-OAHLLOKOSA-N -1 3 387.443 3.879 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822197785 606347267 /nfs/dbraw/zinc/34/72/67/606347267.db2.gz PGZDWWDDHSVLNU-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822197785 606347268 /nfs/dbraw/zinc/34/72/68/606347268.db2.gz PGZDWWDDHSVLNU-OAHLLOKOSA-N -1 3 388.431 3.587 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821891275 606352439 /nfs/dbraw/zinc/35/24/39/606352439.db2.gz ZGFBRTHOLURHRI-QGZVFWFLSA-N -1 3 396.426 3.774 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821891275 606352441 /nfs/dbraw/zinc/35/24/41/606352441.db2.gz ZGFBRTHOLURHRI-QGZVFWFLSA-N -1 3 396.426 3.774 20 0 GHADHM Cc1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cnc2ccccc12 ZINC000822015259 606363200 /nfs/dbraw/zinc/36/32/00/606363200.db2.gz GMQHBZXFGPSHNG-UHFFFAOYSA-N -1 3 386.459 3.774 20 0 GHADHM Cc1c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cnc2ccccc12 ZINC000822015259 606363202 /nfs/dbraw/zinc/36/32/02/606363202.db2.gz GMQHBZXFGPSHNG-UHFFFAOYSA-N -1 3 386.459 3.774 20 0 GHADHM O=C(N[C@H]1CCCSC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823150862 606365426 /nfs/dbraw/zinc/36/54/26/606365426.db2.gz UXVQOVJLRVZOQN-ZDUSSCGKSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(N[C@H]1CCCSC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823150862 606365428 /nfs/dbraw/zinc/36/54/28/606365428.db2.gz UXVQOVJLRVZOQN-ZDUSSCGKSA-N -1 3 397.529 3.643 20 0 GHADHM CN(C(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821574390 606372585 /nfs/dbraw/zinc/37/25/85/606372585.db2.gz FBVNCVUBPZLJSI-UHFFFAOYSA-N -1 3 379.351 3.668 20 0 GHADHM CN(C(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821574390 606372587 /nfs/dbraw/zinc/37/25/87/606372587.db2.gz FBVNCVUBPZLJSI-UHFFFAOYSA-N -1 3 379.351 3.668 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823357683 606379859 /nfs/dbraw/zinc/37/98/59/606379859.db2.gz YFCLBCAESUJZTQ-MCBXIFIFSA-N -1 3 379.395 3.783 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000823357683 606379860 /nfs/dbraw/zinc/37/98/60/606379860.db2.gz YFCLBCAESUJZTQ-MCBXIFIFSA-N -1 3 379.395 3.783 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC000820741755 606425354 /nfs/dbraw/zinc/42/53/54/606425354.db2.gz FRRLAMKEKJTJES-KBPBESRZSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@@H]1C ZINC000820741755 606425355 /nfs/dbraw/zinc/42/53/55/606425355.db2.gz FRRLAMKEKJTJES-KBPBESRZSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(Br)c1 ZINC000822000318 606463165 /nfs/dbraw/zinc/46/31/65/606463165.db2.gz HPVCXHUYEILKAC-SSDOTTSWSA-N -1 3 397.229 3.748 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(Br)c1 ZINC000822000318 606463167 /nfs/dbraw/zinc/46/31/67/606463167.db2.gz HPVCXHUYEILKAC-SSDOTTSWSA-N -1 3 397.229 3.748 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)sc1Cc1ccc(C)cc1 ZINC000822240083 606496207 /nfs/dbraw/zinc/49/62/07/606496207.db2.gz RMYACRQSTYUESH-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)sc1Cc1ccc(C)cc1 ZINC000822240083 606496210 /nfs/dbraw/zinc/49/62/10/606496210.db2.gz RMYACRQSTYUESH-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823139694 606499645 /nfs/dbraw/zinc/49/96/45/606499645.db2.gz JPPSCLQHNAAJGM-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823139694 606499647 /nfs/dbraw/zinc/49/96/47/606499647.db2.gz JPPSCLQHNAAJGM-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C(Nc1cccc(CSc2ccccn2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363798 606501438 /nfs/dbraw/zinc/50/14/38/606501438.db2.gz NTMYANQVELCKNQ-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1cccc(CSc2ccccn2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363798 606501439 /nfs/dbraw/zinc/50/14/39/606501439.db2.gz NTMYANQVELCKNQ-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821717777 606503592 /nfs/dbraw/zinc/50/35/92/606503592.db2.gz YDZDMJLNUWWGPR-VIFPVBQESA-N -1 3 392.246 3.673 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821717777 606503593 /nfs/dbraw/zinc/50/35/93/606503593.db2.gz YDZDMJLNUWWGPR-VIFPVBQESA-N -1 3 392.246 3.673 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822304187 606505744 /nfs/dbraw/zinc/50/57/44/606505744.db2.gz RVHYKAFPLMVPPM-UHFFFAOYSA-N -1 3 387.443 3.540 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304187 606505745 /nfs/dbraw/zinc/50/57/45/606505745.db2.gz RVHYKAFPLMVPPM-UHFFFAOYSA-N -1 3 387.443 3.540 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c(F)c1 ZINC000822227284 606511603 /nfs/dbraw/zinc/51/16/03/606511603.db2.gz BZRFLBBQSPFLCX-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821155480 606520269 /nfs/dbraw/zinc/52/02/69/606520269.db2.gz ZSHHNRWKWHBBJT-INIZCTEOSA-N -1 3 387.484 3.797 20 0 GHADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821155480 606520270 /nfs/dbraw/zinc/52/02/70/606520270.db2.gz ZSHHNRWKWHBBJT-INIZCTEOSA-N -1 3 387.484 3.797 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821614850 606544299 /nfs/dbraw/zinc/54/42/99/606544299.db2.gz XCAXPEUAPHFJSJ-UHFFFAOYSA-N -1 3 383.455 3.735 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821614850 606544301 /nfs/dbraw/zinc/54/43/01/606544301.db2.gz XCAXPEUAPHFJSJ-UHFFFAOYSA-N -1 3 383.455 3.735 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000823093414 606552365 /nfs/dbraw/zinc/55/23/65/606552365.db2.gz XJKJCGQSGUMKTM-IBGZPJMESA-N -1 3 381.867 3.720 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000823093414 606552367 /nfs/dbraw/zinc/55/23/67/606552367.db2.gz XJKJCGQSGUMKTM-IBGZPJMESA-N -1 3 381.867 3.720 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2o1 ZINC000819914138 606571214 /nfs/dbraw/zinc/57/12/14/606571214.db2.gz MTSQIKLTYMGBKR-UHFFFAOYSA-N -1 3 382.449 3.910 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2o1 ZINC000819914138 606571216 /nfs/dbraw/zinc/57/12/16/606571216.db2.gz MTSQIKLTYMGBKR-UHFFFAOYSA-N -1 3 382.449 3.910 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC000820744588 606577680 /nfs/dbraw/zinc/57/76/80/606577680.db2.gz YYQLPOFFVLYHRN-BETUJISGSA-N -1 3 396.426 3.918 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC000820744588 606577682 /nfs/dbraw/zinc/57/76/82/606577682.db2.gz YYQLPOFFVLYHRN-BETUJISGSA-N -1 3 396.426 3.918 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820563498 606581829 /nfs/dbraw/zinc/58/18/29/606581829.db2.gz RJBSLEMFISFGJV-KBPBESRZSA-N -1 3 383.883 3.713 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820563498 606581830 /nfs/dbraw/zinc/58/18/30/606581830.db2.gz RJBSLEMFISFGJV-KBPBESRZSA-N -1 3 383.883 3.713 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820112405 606583260 /nfs/dbraw/zinc/58/32/60/606583260.db2.gz SXPMIZMBNVLEBQ-UHFFFAOYSA-N -1 3 393.476 3.700 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820112405 606583262 /nfs/dbraw/zinc/58/32/62/606583262.db2.gz SXPMIZMBNVLEBQ-UHFFFAOYSA-N -1 3 393.476 3.700 20 0 GHADHM O=C1CCCc2cc(OCc3ccc(-c4nnn[n-]4)cc3OC(F)F)ccc21 ZINC000823530460 606591486 /nfs/dbraw/zinc/59/14/86/606591486.db2.gz KSXLJRMZKXOSMY-UHFFFAOYSA-N -1 3 386.358 3.566 20 0 GHADHM O=C1CCCc2cc(OCc3ccc(-c4nn[n-]n4)cc3OC(F)F)ccc21 ZINC000823530460 606591488 /nfs/dbraw/zinc/59/14/88/606591488.db2.gz KSXLJRMZKXOSMY-UHFFFAOYSA-N -1 3 386.358 3.566 20 0 GHADHM Clc1ccc(O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1Cl ZINC000822578669 606610067 /nfs/dbraw/zinc/61/00/67/606610067.db2.gz NOMCDXKUQRIJTL-ZDUSSCGKSA-N -1 3 391.262 3.616 20 0 GHADHM Clc1ccc(O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1Cl ZINC000822578669 606610068 /nfs/dbraw/zinc/61/00/68/606610068.db2.gz NOMCDXKUQRIJTL-ZDUSSCGKSA-N -1 3 391.262 3.616 20 0 GHADHM Fc1cc(CSc2ccc(Cl)cc2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000822753947 606631016 /nfs/dbraw/zinc/63/10/16/606631016.db2.gz SSFRHTCSEIFXOJ-UHFFFAOYSA-N -1 3 378.816 3.818 20 0 GHADHM Fc1cc(CSc2ccc(Cl)cc2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000822753947 606631019 /nfs/dbraw/zinc/63/10/19/606631019.db2.gz SSFRHTCSEIFXOJ-UHFFFAOYSA-N -1 3 378.816 3.818 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3sccc3-c3nnn[n-]3)n2)ccc1F ZINC000822129728 606632958 /nfs/dbraw/zinc/63/29/58/606632958.db2.gz NVOAEFBEGCLIMH-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3sccc3-c3nn[n-]n3)n2)ccc1F ZINC000822129728 606632959 /nfs/dbraw/zinc/63/29/59/606632959.db2.gz NVOAEFBEGCLIMH-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822021002 606671285 /nfs/dbraw/zinc/67/12/85/606671285.db2.gz QZSKJNDJQXAMPW-JTQLQIEISA-N -1 3 383.358 3.691 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822021002 606671286 /nfs/dbraw/zinc/67/12/86/606671286.db2.gz QZSKJNDJQXAMPW-JTQLQIEISA-N -1 3 383.358 3.691 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820295060 606685560 /nfs/dbraw/zinc/68/55/60/606685560.db2.gz XLHFEYZNBFJQEN-SNVBAGLBSA-N -1 3 375.404 3.512 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820295060 606685561 /nfs/dbraw/zinc/68/55/61/606685561.db2.gz XLHFEYZNBFJQEN-SNVBAGLBSA-N -1 3 375.404 3.512 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820989735 606696592 /nfs/dbraw/zinc/69/65/92/606696592.db2.gz ZTUPDZJQIFYSNA-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820989735 606696593 /nfs/dbraw/zinc/69/65/93/606696593.db2.gz ZTUPDZJQIFYSNA-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(OCC2CC2)c1 ZINC000822237451 606696873 /nfs/dbraw/zinc/69/68/73/606696873.db2.gz UKBMCCXYZHAOIG-UHFFFAOYSA-N -1 3 392.463 3.594 20 0 GHADHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(OCC2CC2)c1 ZINC000822237451 606696874 /nfs/dbraw/zinc/69/68/74/606696874.db2.gz UKBMCCXYZHAOIG-UHFFFAOYSA-N -1 3 392.463 3.594 20 0 GHADHM CC1(C)C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000820589235 606725522 /nfs/dbraw/zinc/72/55/22/606725522.db2.gz BFJDAVWFGDSBTM-GFCCVEGCSA-N -1 3 390.369 3.995 20 0 GHADHM CC1(C)C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820589235 606725523 /nfs/dbraw/zinc/72/55/23/606725523.db2.gz BFJDAVWFGDSBTM-GFCCVEGCSA-N -1 3 390.369 3.995 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)OC2CCCCCC2)c1-c1nnn[n-]1 ZINC000821466741 606726094 /nfs/dbraw/zinc/72/60/94/606726094.db2.gz ZHFPNHXIQGMHFE-LLVKDONJSA-N -1 3 377.514 3.865 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)OC2CCCCCC2)c1-c1nn[n-]n1 ZINC000821466741 606726095 /nfs/dbraw/zinc/72/60/95/606726095.db2.gz ZHFPNHXIQGMHFE-LLVKDONJSA-N -1 3 377.514 3.865 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000822211769 606770905 /nfs/dbraw/zinc/77/09/05/606770905.db2.gz NXVLZYFQSFNDJA-KXBFYZLASA-N -1 3 390.447 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000822211769 606770906 /nfs/dbraw/zinc/77/09/06/606770906.db2.gz NXVLZYFQSFNDJA-KXBFYZLASA-N -1 3 390.447 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000822211768 606771068 /nfs/dbraw/zinc/77/10/68/606771068.db2.gz NXVLZYFQSFNDJA-HNAYVOBHSA-N -1 3 390.447 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000822211768 606771070 /nfs/dbraw/zinc/77/10/70/606771070.db2.gz NXVLZYFQSFNDJA-HNAYVOBHSA-N -1 3 390.447 3.984 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000823356811 606772932 /nfs/dbraw/zinc/77/29/32/606772932.db2.gz ONOVDIQYVQAXQP-LRDDRELGSA-N -1 3 394.410 3.814 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000823356811 606772933 /nfs/dbraw/zinc/77/29/33/606772933.db2.gz ONOVDIQYVQAXQP-LRDDRELGSA-N -1 3 394.410 3.814 20 0 GHADHM O=C(CC1CCSCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822945557 606779593 /nfs/dbraw/zinc/77/95/93/606779593.db2.gz JSZXTCQASUCXPS-UHFFFAOYSA-N -1 3 380.473 3.972 20 0 GHADHM O=C(CC1CCSCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822945557 606779595 /nfs/dbraw/zinc/77/95/95/606779595.db2.gz JSZXTCQASUCXPS-UHFFFAOYSA-N -1 3 380.473 3.972 20 0 GHADHM CN(C)C(=O)Sc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821578355 606780979 /nfs/dbraw/zinc/78/09/79/606780979.db2.gz ZRYIVMVYOHBBIV-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM CN(C)C(=O)Sc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821578355 606780982 /nfs/dbraw/zinc/78/09/82/606780982.db2.gz ZRYIVMVYOHBBIV-UHFFFAOYSA-N -1 3 389.868 3.873 20 0 GHADHM Cc1csc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000822414751 606788121 /nfs/dbraw/zinc/78/81/21/606788121.db2.gz SNKACLZRKJLPED-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CCc1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)no1 ZINC000821471054 606792709 /nfs/dbraw/zinc/79/27/09/606792709.db2.gz VBTHENARCPVFBC-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230287 606798264 /nfs/dbraw/zinc/79/82/64/606798264.db2.gz BLVHMYAQEGGXNW-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230287 606798265 /nfs/dbraw/zinc/79/82/65/606798265.db2.gz BLVHMYAQEGGXNW-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821838387 606801012 /nfs/dbraw/zinc/80/10/12/606801012.db2.gz MSHFVLRVUMIJMA-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821838387 606801014 /nfs/dbraw/zinc/80/10/14/606801014.db2.gz MSHFVLRVUMIJMA-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000820063159 606810442 /nfs/dbraw/zinc/81/04/42/606810442.db2.gz RXPOKYIZCMHWRZ-UHFFFAOYSA-N -1 3 392.463 3.610 20 0 GHADHM CC(C)CC1(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000820063159 606810443 /nfs/dbraw/zinc/81/04/43/606810443.db2.gz RXPOKYIZCMHWRZ-UHFFFAOYSA-N -1 3 392.463 3.610 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCc2nccs2)cc1 ZINC000822144186 606839603 /nfs/dbraw/zinc/83/96/03/606839603.db2.gz KZBGKOGFYJMNSS-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2nccs2)cc1 ZINC000822144186 606839604 /nfs/dbraw/zinc/83/96/04/606839604.db2.gz KZBGKOGFYJMNSS-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820972670 606840485 /nfs/dbraw/zinc/84/04/85/606840485.db2.gz QLOYFEASPLWPOG-KSSFIOAISA-N -1 3 380.404 3.522 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820972670 606840486 /nfs/dbraw/zinc/84/04/86/606840486.db2.gz QLOYFEASPLWPOG-KSSFIOAISA-N -1 3 380.404 3.522 20 0 GHADHM O[C@@H](CSc1nc(-c2ccc(F)cc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823698375 606846629 /nfs/dbraw/zinc/84/66/29/606846629.db2.gz POHJOEMUPIOWEX-INIZCTEOSA-N -1 3 399.476 3.955 20 0 GHADHM O[C@@H](CSc1nc(-c2ccc(F)cc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823698375 606846630 /nfs/dbraw/zinc/84/66/30/606846630.db2.gz POHJOEMUPIOWEX-INIZCTEOSA-N -1 3 399.476 3.955 20 0 GHADHM CCc1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n[nH]1 ZINC000821470547 606849790 /nfs/dbraw/zinc/84/97/90/606849790.db2.gz QFXCVCJSSLUYGK-UHFFFAOYSA-N -1 3 389.419 3.505 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821831765 606851726 /nfs/dbraw/zinc/85/17/26/606851726.db2.gz LTZUNVQJBBRGGV-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821831765 606851727 /nfs/dbraw/zinc/85/17/27/606851727.db2.gz LTZUNVQJBBRGGV-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CCc1nnc(N[C@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1CC ZINC000821529607 606917741 /nfs/dbraw/zinc/91/77/41/606917741.db2.gz XVECZAWBLBDZSK-AWEZNQCLSA-N -1 3 385.472 3.570 20 0 GHADHM CCc1nnc(N[C@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1CC ZINC000821529607 606917743 /nfs/dbraw/zinc/91/77/43/606917743.db2.gz XVECZAWBLBDZSK-AWEZNQCLSA-N -1 3 385.472 3.570 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)ccc1F ZINC000821702954 606955262 /nfs/dbraw/zinc/95/52/62/606955262.db2.gz IQBJUWLUHKGMSP-UHFFFAOYSA-N -1 3 387.440 3.597 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)ccc1F ZINC000821702954 606955263 /nfs/dbraw/zinc/95/52/63/606955263.db2.gz IQBJUWLUHKGMSP-UHFFFAOYSA-N -1 3 387.440 3.597 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820950454 606957726 /nfs/dbraw/zinc/95/77/26/606957726.db2.gz NKPAMOGPGJGWMR-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820950454 606957728 /nfs/dbraw/zinc/95/77/28/606957728.db2.gz NKPAMOGPGJGWMR-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822535005 606959600 /nfs/dbraw/zinc/95/96/00/606959600.db2.gz DRMMFPSOLXMCOF-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822535005 606959602 /nfs/dbraw/zinc/95/96/02/606959602.db2.gz DRMMFPSOLXMCOF-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822459844 606962413 /nfs/dbraw/zinc/96/24/13/606962413.db2.gz YVEDCPQNQZAGCC-UHFFFAOYSA-N -1 3 396.813 3.792 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822459844 606962414 /nfs/dbraw/zinc/96/24/14/606962414.db2.gz YVEDCPQNQZAGCC-UHFFFAOYSA-N -1 3 396.813 3.792 20 0 GHADHM CN(C(=O)CCCc1c[nH]c2ccccc12)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569309 606962732 /nfs/dbraw/zinc/96/27/32/606962732.db2.gz FMAFCTKDWZWSSY-UHFFFAOYSA-N -1 3 394.866 3.987 20 0 GHADHM CN(C(=O)CCCc1c[nH]c2ccccc12)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569309 606962734 /nfs/dbraw/zinc/96/27/34/606962734.db2.gz FMAFCTKDWZWSSY-UHFFFAOYSA-N -1 3 394.866 3.987 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccc2c(Cl)n1 ZINC000823426406 606996128 /nfs/dbraw/zinc/99/61/28/606996128.db2.gz HFIKGCWXPBBUEB-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2c(Cl)n1 ZINC000823426406 606996130 /nfs/dbraw/zinc/99/61/30/606996130.db2.gz HFIKGCWXPBBUEB-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820294857 607003379 /nfs/dbraw/zinc/00/33/79/607003379.db2.gz VKBORZXTBYDXAB-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820294857 607003381 /nfs/dbraw/zinc/00/33/81/607003381.db2.gz VKBORZXTBYDXAB-NSHDSACASA-N -1 3 390.415 3.617 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000821565092 607004970 /nfs/dbraw/zinc/00/49/70/607004970.db2.gz CTHJMZILRKQKLD-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC000821565092 607004972 /nfs/dbraw/zinc/00/49/72/607004972.db2.gz CTHJMZILRKQKLD-UHFFFAOYSA-N -1 3 387.469 3.638 20 0 GHADHM CCOc1ccc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821417251 607011370 /nfs/dbraw/zinc/01/13/70/607011370.db2.gz KCONUVMNDAIJMI-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCOc1ccc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821417251 607011373 /nfs/dbraw/zinc/01/13/73/607011373.db2.gz KCONUVMNDAIJMI-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000820557447 607013360 /nfs/dbraw/zinc/01/33/60/607013360.db2.gz ZIMFQQGLGAIIFF-SNVBAGLBSA-N -1 3 376.388 3.832 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000820557447 607013361 /nfs/dbraw/zinc/01/33/61/607013361.db2.gz ZIMFQQGLGAIIFF-SNVBAGLBSA-N -1 3 376.388 3.832 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC000822424485 607044627 /nfs/dbraw/zinc/04/46/27/607044627.db2.gz VWTVJZOAYMQBQB-ZDUSSCGKSA-N -1 3 377.477 3.891 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC000822424485 607044629 /nfs/dbraw/zinc/04/46/29/607044629.db2.gz VWTVJZOAYMQBQB-ZDUSSCGKSA-N -1 3 377.477 3.891 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000822757967 607055442 /nfs/dbraw/zinc/05/54/42/607055442.db2.gz IERAWEAJKGLYLO-INIZCTEOSA-N -1 3 380.452 3.953 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1F ZINC000823418681 607086777 /nfs/dbraw/zinc/08/67/77/607086777.db2.gz UIJWLBRQNUNGER-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1F ZINC000823418681 607086779 /nfs/dbraw/zinc/08/67/79/607086779.db2.gz UIJWLBRQNUNGER-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1nc2ccccc2s1 ZINC000821293345 607099252 /nfs/dbraw/zinc/09/92/52/607099252.db2.gz KIUVHGNWUKTHSC-MDZDMXLPSA-N -1 3 391.460 3.560 20 0 GHADHM Cc1cccc(C)c1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822293866 607110766 /nfs/dbraw/zinc/11/07/66/607110766.db2.gz PGXCXDIOAWKFDG-UHFFFAOYSA-N -1 3 392.507 3.646 20 0 GHADHM Cc1cccc(C)c1CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000822293866 607110768 /nfs/dbraw/zinc/11/07/68/607110768.db2.gz PGXCXDIOAWKFDG-UHFFFAOYSA-N -1 3 392.507 3.646 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C(=O)CC)cc1 ZINC000821104406 607153998 /nfs/dbraw/zinc/15/39/98/607153998.db2.gz BSWDNFGFSJHZDI-UHFFFAOYSA-N -1 3 377.448 3.512 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C(=O)CC)cc1 ZINC000821104406 607154000 /nfs/dbraw/zinc/15/40/00/607154000.db2.gz BSWDNFGFSJHZDI-UHFFFAOYSA-N -1 3 377.448 3.512 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1Br ZINC000823319417 607189435 /nfs/dbraw/zinc/18/94/35/607189435.db2.gz UZXMIWXKMYTTJY-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1Br ZINC000823319417 607189436 /nfs/dbraw/zinc/18/94/36/607189436.db2.gz UZXMIWXKMYTTJY-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823313535 607192098 /nfs/dbraw/zinc/19/20/98/607192098.db2.gz DRFXEFADOWDYOO-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823313535 607192099 /nfs/dbraw/zinc/19/20/99/607192099.db2.gz DRFXEFADOWDYOO-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821427484 607195811 /nfs/dbraw/zinc/19/58/11/607195811.db2.gz UCJNYQIORFLHPC-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821427484 607195812 /nfs/dbraw/zinc/19/58/12/607195812.db2.gz UCJNYQIORFLHPC-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822234812 607196847 /nfs/dbraw/zinc/19/68/47/607196847.db2.gz IJDURCIURPZVPF-SECBINFHSA-N -1 3 376.873 3.643 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822234812 607196848 /nfs/dbraw/zinc/19/68/48/607196848.db2.gz IJDURCIURPZVPF-SECBINFHSA-N -1 3 376.873 3.643 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820667871 607199090 /nfs/dbraw/zinc/19/90/90/607199090.db2.gz OOKBXNUPZKOIIL-DOMZBBRYSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820667871 607199091 /nfs/dbraw/zinc/19/90/91/607199091.db2.gz OOKBXNUPZKOIIL-DOMZBBRYSA-N -1 3 382.855 3.930 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C(F)F)ccc1Cl ZINC000823246589 607204634 /nfs/dbraw/zinc/20/46/34/607204634.db2.gz WEJRYOSOSQYHAC-UHFFFAOYSA-N -1 3 378.770 3.779 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C(F)F)ccc1Cl ZINC000823246589 607204635 /nfs/dbraw/zinc/20/46/35/607204635.db2.gz WEJRYOSOSQYHAC-UHFFFAOYSA-N -1 3 378.770 3.779 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Sc2ccccc2)n1 ZINC000425957893 607204845 /nfs/dbraw/zinc/20/48/45/607204845.db2.gz DIFHJFAEZLYMAE-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Sc2ccccc2)n1 ZINC000425957893 607204846 /nfs/dbraw/zinc/20/48/46/607204846.db2.gz DIFHJFAEZLYMAE-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1ccccc1-c1nnn[n-]1 ZINC000822958821 607235314 /nfs/dbraw/zinc/23/53/14/607235314.db2.gz IQUXQRAPYPZVLF-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM O=C(CCCc1ccccc1Br)Nc1ccccc1-c1nn[n-]n1 ZINC000822958821 607235315 /nfs/dbraw/zinc/23/53/15/607235315.db2.gz IQUXQRAPYPZVLF-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccnn1C1CCCC1 ZINC000823387552 607236018 /nfs/dbraw/zinc/23/60/18/607236018.db2.gz OONLJEJVMYAVMH-UHFFFAOYSA-N -1 3 397.508 3.761 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccnn1C1CCCC1 ZINC000823387552 607236019 /nfs/dbraw/zinc/23/60/19/607236019.db2.gz OONLJEJVMYAVMH-UHFFFAOYSA-N -1 3 397.508 3.761 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000822680375 607241492 /nfs/dbraw/zinc/24/14/92/607241492.db2.gz MPYAYCLPNXHATL-UHFFFAOYSA-N -1 3 380.839 3.583 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000822680375 607241493 /nfs/dbraw/zinc/24/14/93/607241493.db2.gz MPYAYCLPNXHATL-UHFFFAOYSA-N -1 3 380.839 3.583 20 0 GHADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823065988 607242962 /nfs/dbraw/zinc/24/29/62/607242962.db2.gz HMOFURRGTVXPQL-UHFFFAOYSA-N -1 3 385.880 3.740 20 0 GHADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823065988 607242963 /nfs/dbraw/zinc/24/29/63/607242963.db2.gz HMOFURRGTVXPQL-UHFFFAOYSA-N -1 3 385.880 3.740 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822242781 607242988 /nfs/dbraw/zinc/24/29/88/607242988.db2.gz XQWCAYSKOVMAKH-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822242781 607242989 /nfs/dbraw/zinc/24/29/89/607242989.db2.gz XQWCAYSKOVMAKH-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000823318382 607244071 /nfs/dbraw/zinc/24/40/71/607244071.db2.gz DQFXLYRRQWMHLR-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000823318382 607244072 /nfs/dbraw/zinc/24/40/72/607244072.db2.gz DQFXLYRRQWMHLR-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000825552934 607784734 /nfs/dbraw/zinc/78/47/34/607784734.db2.gz GASXNLJQTXWYIE-MRXNPFEDSA-N -1 3 382.399 3.674 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000825552934 607784735 /nfs/dbraw/zinc/78/47/35/607784735.db2.gz GASXNLJQTXWYIE-MRXNPFEDSA-N -1 3 382.399 3.674 20 0 GHADHM CN(C(=O)c1ccc(Br)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825830527 607787630 /nfs/dbraw/zinc/78/76/30/607787630.db2.gz UVQBUVVTVDGKIN-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Br)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825830527 607787631 /nfs/dbraw/zinc/78/76/31/607787631.db2.gz UVQBUVVTVDGKIN-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826421675 607794247 /nfs/dbraw/zinc/79/42/47/607794247.db2.gz UBWAQAMRRVSHKV-UHFFFAOYSA-N -1 3 383.411 3.625 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826421675 607794248 /nfs/dbraw/zinc/79/42/48/607794248.db2.gz UBWAQAMRRVSHKV-UHFFFAOYSA-N -1 3 383.411 3.625 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)nc1 ZINC000826282401 607800990 /nfs/dbraw/zinc/80/09/90/607800990.db2.gz NBNOJDAOEFSONC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)nc1 ZINC000826282401 607800991 /nfs/dbraw/zinc/80/09/91/607800991.db2.gz NBNOJDAOEFSONC-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCSC(C)(C)C ZINC000824319354 607816675 /nfs/dbraw/zinc/81/66/75/607816675.db2.gz NFNCQEHOUNEGFL-UHFFFAOYSA-N -1 3 377.514 3.904 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCSC(C)(C)C ZINC000824319354 607816676 /nfs/dbraw/zinc/81/66/76/607816676.db2.gz NFNCQEHOUNEGFL-UHFFFAOYSA-N -1 3 377.514 3.904 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCSC(C)(C)C ZINC000824293858 607817575 /nfs/dbraw/zinc/81/75/75/607817575.db2.gz ZYIGFBQOECUXFY-UHFFFAOYSA-N -1 3 375.542 3.916 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCSC(C)(C)C ZINC000824293858 607817576 /nfs/dbraw/zinc/81/75/76/607817576.db2.gz ZYIGFBQOECUXFY-UHFFFAOYSA-N -1 3 375.542 3.916 20 0 GHADHM CCN(C(=O)Cc1cccc2ccc(OC)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376657 607829727 /nfs/dbraw/zinc/82/97/27/607829727.db2.gz KQUMMRBRPRXCHA-UHFFFAOYSA-N -1 3 387.443 3.624 20 0 GHADHM CCN(C(=O)Cc1cccc2ccc(OC)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376657 607829728 /nfs/dbraw/zinc/82/97/28/607829728.db2.gz KQUMMRBRPRXCHA-UHFFFAOYSA-N -1 3 387.443 3.624 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000826252386 607830577 /nfs/dbraw/zinc/83/05/77/607830577.db2.gz BBPUNWCYHFJEJH-GOSISDBHSA-N -1 3 380.448 3.775 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000826252386 607830578 /nfs/dbraw/zinc/83/05/78/607830578.db2.gz BBPUNWCYHFJEJH-GOSISDBHSA-N -1 3 380.448 3.775 20 0 GHADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825314128 607834087 /nfs/dbraw/zinc/83/40/87/607834087.db2.gz XRNUJVPDHNQIAF-LBPRGKRZSA-N -1 3 398.294 3.595 20 0 GHADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825314128 607834088 /nfs/dbraw/zinc/83/40/88/607834088.db2.gz XRNUJVPDHNQIAF-LBPRGKRZSA-N -1 3 398.294 3.595 20 0 GHADHM O=C(NCCOC1CCCCCC1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826438433 607835376 /nfs/dbraw/zinc/83/53/76/607835376.db2.gz CHXDEYUCRRSHFQ-UHFFFAOYSA-N -1 3 398.294 3.643 20 0 GHADHM O=C(NCCOC1CCCCCC1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826438433 607835377 /nfs/dbraw/zinc/83/53/77/607835377.db2.gz CHXDEYUCRRSHFQ-UHFFFAOYSA-N -1 3 398.294 3.643 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4ccc5cc(-c6nnn[n-]6)ccc5n4)C3)nc2c1 ZINC000826524247 607840234 /nfs/dbraw/zinc/84/02/34/607840234.db2.gz NZHQRBLQZBYYID-MRXNPFEDSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4ccc5cc(-c6nn[n-]n6)ccc5n4)C3)nc2c1 ZINC000826524247 607840235 /nfs/dbraw/zinc/84/02/35/607840235.db2.gz NZHQRBLQZBYYID-MRXNPFEDSA-N -1 3 397.442 3.940 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000825608995 607872416 /nfs/dbraw/zinc/87/24/16/607872416.db2.gz HBZXPICSUBNMML-INIZCTEOSA-N -1 3 388.855 3.648 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000825608995 607872417 /nfs/dbraw/zinc/87/24/17/607872417.db2.gz HBZXPICSUBNMML-INIZCTEOSA-N -1 3 388.855 3.648 20 0 GHADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1C(F)(F)F ZINC000826503817 607873074 /nfs/dbraw/zinc/87/30/74/607873074.db2.gz GZRQVEDEKHZXEG-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1C(F)(F)F ZINC000826503817 607873075 /nfs/dbraw/zinc/87/30/75/607873075.db2.gz GZRQVEDEKHZXEG-ZDUSSCGKSA-N -1 3 384.745 3.651 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1F ZINC000825034792 607933872 /nfs/dbraw/zinc/93/38/72/607933872.db2.gz PXLDOEGMJNEQHC-UHFFFAOYSA-N -1 3 397.410 3.638 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421711 607950585 /nfs/dbraw/zinc/95/05/85/607950585.db2.gz VSEBJVJLZXRNSE-UHFFFAOYSA-N -1 3 395.422 3.898 20 0 GHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421711 607950586 /nfs/dbraw/zinc/95/05/86/607950586.db2.gz VSEBJVJLZXRNSE-UHFFFAOYSA-N -1 3 395.422 3.898 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824761921 607954614 /nfs/dbraw/zinc/95/46/14/607954614.db2.gz CZVHAEJICYGWMX-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824761921 607954615 /nfs/dbraw/zinc/95/46/15/607954615.db2.gz CZVHAEJICYGWMX-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262044 607980460 /nfs/dbraw/zinc/98/04/60/607980460.db2.gz CLMQYAQXLWJJHL-BFUOFWGJSA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262044 607980461 /nfs/dbraw/zinc/98/04/61/607980461.db2.gz CLMQYAQXLWJJHL-BFUOFWGJSA-N -1 3 394.454 3.826 20 0 GHADHM COc1ccccc1[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccn1 ZINC000826218377 608017180 /nfs/dbraw/zinc/01/71/80/608017180.db2.gz ADKQJYWJFNIIMB-QGZVFWFLSA-N -1 3 393.838 3.520 20 0 GHADHM COc1ccccc1[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccn1 ZINC000826218377 608017181 /nfs/dbraw/zinc/01/71/81/608017181.db2.gz ADKQJYWJFNIIMB-QGZVFWFLSA-N -1 3 393.838 3.520 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1scnc1C1CC1 ZINC000826459645 608024493 /nfs/dbraw/zinc/02/44/93/608024493.db2.gz SFFYDLKOHMKECX-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1scnc1C1CC1 ZINC000826459645 608024494 /nfs/dbraw/zinc/02/44/94/608024494.db2.gz SFFYDLKOHMKECX-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826442045 608032325 /nfs/dbraw/zinc/03/23/25/608032325.db2.gz HEYPLOQDJGTRSQ-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826442045 608032326 /nfs/dbraw/zinc/03/23/26/608032326.db2.gz HEYPLOQDJGTRSQ-FQEVSTJZSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826406991 608072057 /nfs/dbraw/zinc/07/20/57/608072057.db2.gz WGTQYXZENRWGCH-UHFFFAOYSA-N -1 3 377.782 3.760 20 0 GHADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826406991 608072058 /nfs/dbraw/zinc/07/20/58/608072058.db2.gz WGTQYXZENRWGCH-UHFFFAOYSA-N -1 3 377.782 3.760 20 0 GHADHM Cc1ccc(Br)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826281199 608072694 /nfs/dbraw/zinc/07/26/94/608072694.db2.gz IGYFQQCJFCAUJL-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1ccc(Br)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826281199 608072695 /nfs/dbraw/zinc/07/26/95/608072695.db2.gz IGYFQQCJFCAUJL-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000826241079 608100827 /nfs/dbraw/zinc/10/08/27/608100827.db2.gz QISNSKDXTOYSJT-NSHDSACASA-N -1 3 396.501 3.904 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000826241079 608100828 /nfs/dbraw/zinc/10/08/28/608100828.db2.gz QISNSKDXTOYSJT-NSHDSACASA-N -1 3 396.501 3.904 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825080844 608102662 /nfs/dbraw/zinc/10/26/62/608102662.db2.gz BUYPHKSJJROLRL-LBPRGKRZSA-N -1 3 397.508 3.642 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825080844 608102663 /nfs/dbraw/zinc/10/26/63/608102663.db2.gz BUYPHKSJJROLRL-LBPRGKRZSA-N -1 3 397.508 3.642 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081673 608106384 /nfs/dbraw/zinc/10/63/84/608106384.db2.gz LTOKBLKKAYSHMJ-CYBMUJFWSA-N -1 3 394.483 3.576 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081673 608106385 /nfs/dbraw/zinc/10/63/85/608106385.db2.gz LTOKBLKKAYSHMJ-CYBMUJFWSA-N -1 3 394.483 3.576 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1scnc1C1CC1 ZINC000825318204 608106485 /nfs/dbraw/zinc/10/64/85/608106485.db2.gz JEKVLWRRZYMERH-UHFFFAOYSA-N -1 3 383.481 3.645 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1scnc1C1CC1 ZINC000825318204 608106486 /nfs/dbraw/zinc/10/64/86/608106486.db2.gz JEKVLWRRZYMERH-UHFFFAOYSA-N -1 3 383.481 3.645 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868109 608119524 /nfs/dbraw/zinc/11/95/24/608119524.db2.gz SVTQZWNXWRIROR-YJYMSZOUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868109 608119525 /nfs/dbraw/zinc/11/95/25/608119525.db2.gz SVTQZWNXWRIROR-YJYMSZOUSA-N -1 3 391.431 3.603 20 0 GHADHM CCSc1cccc(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)c1 ZINC000825674413 608175365 /nfs/dbraw/zinc/17/53/65/608175365.db2.gz LKGHIGGHCRPTTN-UHFFFAOYSA-N -1 3 393.476 3.601 20 0 GHADHM CCSc1cccc(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)c1 ZINC000825674413 608175366 /nfs/dbraw/zinc/17/53/66/608175366.db2.gz LKGHIGGHCRPTTN-UHFFFAOYSA-N -1 3 393.476 3.601 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000826307128 608184272 /nfs/dbraw/zinc/18/42/72/608184272.db2.gz XDRKZKGIPKOZPN-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000826307128 608184273 /nfs/dbraw/zinc/18/42/73/608184273.db2.gz XDRKZKGIPKOZPN-INIZCTEOSA-N -1 3 392.459 3.528 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000824876672 608207254 /nfs/dbraw/zinc/20/72/54/608207254.db2.gz SYQPLTSQYVNJIK-TUAOUCFPSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000824876672 608207257 /nfs/dbraw/zinc/20/72/57/608207257.db2.gz SYQPLTSQYVNJIK-TUAOUCFPSA-N -1 3 379.917 3.505 20 0 GHADHM Cc1c2c(nc(SC[C@H](O)c3ccc(Cl)cc3)c1-c1nnn[n-]1)CCC2 ZINC000826243106 608220137 /nfs/dbraw/zinc/22/01/37/608220137.db2.gz URJVLOVSPBMSFZ-HNNXBMFYSA-N -1 3 387.896 3.538 20 0 GHADHM Cc1c2c(nc(SC[C@H](O)c3ccc(Cl)cc3)c1-c1nn[n-]n1)CCC2 ZINC000826243106 608220139 /nfs/dbraw/zinc/22/01/39/608220139.db2.gz URJVLOVSPBMSFZ-HNNXBMFYSA-N -1 3 387.896 3.538 20 0 GHADHM Fc1cccc([C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccn2)c1 ZINC000826376481 608233839 /nfs/dbraw/zinc/23/38/39/608233839.db2.gz GATUXFWWPUDYLH-INIZCTEOSA-N -1 3 381.802 3.651 20 0 GHADHM Fc1cccc([C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccn2)c1 ZINC000826376481 608233841 /nfs/dbraw/zinc/23/38/41/608233841.db2.gz GATUXFWWPUDYLH-INIZCTEOSA-N -1 3 381.802 3.651 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000826422124 608250165 /nfs/dbraw/zinc/25/01/65/608250165.db2.gz NCRYOBUEAUZOOR-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000826422124 608250167 /nfs/dbraw/zinc/25/01/67/608250167.db2.gz NCRYOBUEAUZOOR-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM CCc1cccnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000825727931 608269544 /nfs/dbraw/zinc/26/95/44/608269544.db2.gz FTDPLCMKRIZYDO-UHFFFAOYSA-N -1 3 384.443 3.671 20 0 GHADHM CCc1cccnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000825727931 608269546 /nfs/dbraw/zinc/26/95/46/608269546.db2.gz FTDPLCMKRIZYDO-UHFFFAOYSA-N -1 3 384.443 3.671 20 0 GHADHM CSc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1F ZINC000826229459 608276676 /nfs/dbraw/zinc/27/66/76/608276676.db2.gz FPBSARBUWYKNHG-UHFFFAOYSA-N -1 3 387.440 3.767 20 0 GHADHM CSc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1F ZINC000826229459 608276678 /nfs/dbraw/zinc/27/66/78/608276678.db2.gz FPBSARBUWYKNHG-UHFFFAOYSA-N -1 3 387.440 3.767 20 0 GHADHM c1ccc(Oc2ccc(CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)cn2)cc1 ZINC000826522441 608281041 /nfs/dbraw/zinc/28/10/41/608281041.db2.gz AKBSCTGEVGKXKJ-UHFFFAOYSA-N -1 3 399.458 3.940 20 0 GHADHM c1ccc(Oc2ccc(CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)cn2)cc1 ZINC000826522441 608281042 /nfs/dbraw/zinc/28/10/42/608281042.db2.gz AKBSCTGEVGKXKJ-UHFFFAOYSA-N -1 3 399.458 3.940 20 0 GHADHM C[C@H](NC(=O)c1ccccc1COC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520910 608292491 /nfs/dbraw/zinc/29/24/91/608292491.db2.gz FWJZWVRWEDLBRH-AWEZNQCLSA-N -1 3 379.464 3.673 20 0 GHADHM C[C@H](NC(=O)c1ccccc1COC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520910 608292492 /nfs/dbraw/zinc/29/24/92/608292492.db2.gz FWJZWVRWEDLBRH-AWEZNQCLSA-N -1 3 379.464 3.673 20 0 GHADHM CC(C)(C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C1CCCCC1 ZINC000824059433 608304303 /nfs/dbraw/zinc/30/43/03/608304303.db2.gz UXYWKDHAOWVCSV-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825734848 608331201 /nfs/dbraw/zinc/33/12/01/608331201.db2.gz NNDXTEYWXOAKOP-SECBINFHSA-N -1 3 391.262 3.622 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825734848 608331203 /nfs/dbraw/zinc/33/12/03/608331203.db2.gz NNDXTEYWXOAKOP-SECBINFHSA-N -1 3 391.262 3.622 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825120797 608335359 /nfs/dbraw/zinc/33/53/59/608335359.db2.gz NNKOGWFYVUYMBC-SFHVURJKSA-N -1 3 396.520 3.824 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375997 608341771 /nfs/dbraw/zinc/34/17/71/608341771.db2.gz BMWWBVNTWNPCSG-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2c1cccc2C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375997 608341773 /nfs/dbraw/zinc/34/17/73/608341773.db2.gz BMWWBVNTWNPCSG-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CCN(C(=O)COC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371741 608342153 /nfs/dbraw/zinc/34/21/53/608342153.db2.gz JPRMGBYELJFLQC-RMKNXTFCSA-N -1 3 397.866 3.603 20 0 GHADHM CCN(C(=O)COC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371741 608342155 /nfs/dbraw/zinc/34/21/55/608342155.db2.gz JPRMGBYELJFLQC-RMKNXTFCSA-N -1 3 397.866 3.603 20 0 GHADHM CCOc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1C ZINC000825616059 608344227 /nfs/dbraw/zinc/34/42/27/608344227.db2.gz VBHQBPITJJVPDA-UHFFFAOYSA-N -1 3 385.855 3.894 20 0 GHADHM CCOc1cc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1C ZINC000825616059 608344228 /nfs/dbraw/zinc/34/42/28/608344228.db2.gz VBHQBPITJJVPDA-UHFFFAOYSA-N -1 3 385.855 3.894 20 0 GHADHM CCN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367529 608345018 /nfs/dbraw/zinc/34/50/18/608345018.db2.gz RVNSYMBXPLBPEP-CQSZACIVSA-N -1 3 385.880 3.763 20 0 GHADHM CCN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367529 608345020 /nfs/dbraw/zinc/34/50/20/608345020.db2.gz RVNSYMBXPLBPEP-CQSZACIVSA-N -1 3 385.880 3.763 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361622 608346776 /nfs/dbraw/zinc/34/67/76/608346776.db2.gz GMLVDSWHVTZCRN-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361622 608346778 /nfs/dbraw/zinc/34/67/78/608346778.db2.gz GMLVDSWHVTZCRN-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM CCN(CC(C)C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825399596 608356931 /nfs/dbraw/zinc/35/69/31/608356931.db2.gz ZAAMPNLYXUTDBB-UHFFFAOYSA-N -1 3 378.480 3.721 20 0 GHADHM CCN(CC(C)C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825399596 608356933 /nfs/dbraw/zinc/35/69/33/608356933.db2.gz ZAAMPNLYXUTDBB-UHFFFAOYSA-N -1 3 378.480 3.721 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2ccccc2)c[nH]1 ZINC000826368559 608376312 /nfs/dbraw/zinc/37/63/12/608376312.db2.gz UTBVUZIJNOFORR-UHFFFAOYSA-N -1 3 385.353 3.888 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824770820 608388228 /nfs/dbraw/zinc/38/82/28/608388228.db2.gz MVDOAWWFVBPJAM-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM C[C@@H](c1ccccc1Br)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824770820 608388229 /nfs/dbraw/zinc/38/82/29/608388229.db2.gz MVDOAWWFVBPJAM-NSHDSACASA-N -1 3 390.260 3.961 20 0 GHADHM O=C(NCc1cccc(Cl)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826442880 608388592 /nfs/dbraw/zinc/38/85/92/608388592.db2.gz NZIUXEGPMLGYQE-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1cccc(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826442880 608388594 /nfs/dbraw/zinc/38/85/94/608388594.db2.gz NZIUXEGPMLGYQE-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM Clc1cc(NCCSCc2ccccc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC000826350575 608392319 /nfs/dbraw/zinc/39/23/19/608392319.db2.gz CEUDLBAEIPDKCS-UHFFFAOYSA-N -1 3 387.900 3.533 20 0 GHADHM Clc1cc(NCCSCc2ccccc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC000826350575 608392320 /nfs/dbraw/zinc/39/23/20/608392320.db2.gz CEUDLBAEIPDKCS-UHFFFAOYSA-N -1 3 387.900 3.533 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000825577611 608404266 /nfs/dbraw/zinc/40/42/66/608404266.db2.gz YADNCFGJLSAWML-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2cccc(-c3nn[n-]n3)c2F)cs1 ZINC000825577611 608404268 /nfs/dbraw/zinc/40/42/68/608404268.db2.gz YADNCFGJLSAWML-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM Cc1ccccc1-c1nc(CSCc2cccc(-c3nnn[n-]3)c2F)no1 ZINC000826305420 608404701 /nfs/dbraw/zinc/40/47/01/608404701.db2.gz VXPRJQCCXYGYRR-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1-c1nc(CSCc2cccc(-c3nn[n-]n3)c2F)no1 ZINC000826305420 608404702 /nfs/dbraw/zinc/40/47/02/608404702.db2.gz VXPRJQCCXYGYRR-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CCC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000825242329 608426598 /nfs/dbraw/zinc/42/65/98/608426598.db2.gz OGEYSXFGVAZPFK-QGZVFWFLSA-N -1 3 375.436 3.548 20 0 GHADHM Cc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)sc2nccc(C)c12 ZINC000826314516 608441837 /nfs/dbraw/zinc/44/18/37/608441837.db2.gz ASIHHVAJTBMIMP-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM Cc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)sc2nccc(C)c12 ZINC000826314516 608441840 /nfs/dbraw/zinc/44/18/40/608441840.db2.gz ASIHHVAJTBMIMP-UHFFFAOYSA-N -1 3 383.408 3.589 20 0 GHADHM COc1ccc2nc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC000826213682 608442108 /nfs/dbraw/zinc/44/21/08/608442108.db2.gz HGCVBAPBWLLJEG-UHFFFAOYSA-N -1 3 384.443 3.717 20 0 GHADHM COc1ccc2nc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC000826213682 608442109 /nfs/dbraw/zinc/44/21/09/608442109.db2.gz HGCVBAPBWLLJEG-UHFFFAOYSA-N -1 3 384.443 3.717 20 0 GHADHM CCc1sc(-c2nnc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000825782360 608461645 /nfs/dbraw/zinc/46/16/45/608461645.db2.gz FDWDOVLTCMGJEI-LBPRGKRZSA-N -1 3 395.492 3.700 20 0 GHADHM CCc1sc(-c2nnc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000825782360 608461647 /nfs/dbraw/zinc/46/16/47/608461647.db2.gz FDWDOVLTCMGJEI-LBPRGKRZSA-N -1 3 395.492 3.700 20 0 GHADHM Fc1c(CNC2(c3ccc(Br)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000826371174 608471088 /nfs/dbraw/zinc/47/10/88/608471088.db2.gz VSTYFZLHEPTCIP-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM CCc1nc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)sc1C ZINC000825750605 608472213 /nfs/dbraw/zinc/47/22/13/608472213.db2.gz UFMKECXURBMBRH-UHFFFAOYSA-N -1 3 395.492 3.515 20 0 GHADHM CCc1nc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)sc1C ZINC000825750605 608472215 /nfs/dbraw/zinc/47/22/15/608472215.db2.gz UFMKECXURBMBRH-UHFFFAOYSA-N -1 3 395.492 3.515 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399928 608481851 /nfs/dbraw/zinc/48/18/51/608481851.db2.gz KJRXPYGXXPHGEI-XCVCLJGOSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399928 608481853 /nfs/dbraw/zinc/48/18/53/608481853.db2.gz KJRXPYGXXPHGEI-XCVCLJGOSA-N -1 3 391.862 3.849 20 0 GHADHM C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824626075 608484616 /nfs/dbraw/zinc/48/46/16/608484616.db2.gz LSKGNLPWZZZDQN-LLVKDONJSA-N -1 3 382.374 3.651 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(Br)cc1C ZINC000826260642 608534322 /nfs/dbraw/zinc/53/43/22/608534322.db2.gz YPNCYVRADGEDOR-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(Br)cc1C ZINC000826260642 608534324 /nfs/dbraw/zinc/53/43/24/608534324.db2.gz YPNCYVRADGEDOR-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826421068 608548070 /nfs/dbraw/zinc/54/80/70/608548070.db2.gz QGYRTCSZRDMSON-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826421068 608548071 /nfs/dbraw/zinc/54/80/71/608548071.db2.gz QGYRTCSZRDMSON-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM CCN(Cc1nc2ccccc2n1CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825444831 608551150 /nfs/dbraw/zinc/55/11/50/608551150.db2.gz SAXJXLFLKFJPMF-HNNXBMFYSA-N -1 3 375.480 3.819 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3ccc(-c4nnn[n-]4)s3)cn2)cc1 ZINC000826368434 608569524 /nfs/dbraw/zinc/56/95/24/608569524.db2.gz PLSRWZYLNYZSNI-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824324590 608574492 /nfs/dbraw/zinc/57/44/92/608574492.db2.gz QPMJQTOQZQHPDH-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824324590 608574493 /nfs/dbraw/zinc/57/44/93/608574493.db2.gz QPMJQTOQZQHPDH-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000824334172 608574522 /nfs/dbraw/zinc/57/45/22/608574522.db2.gz QFBDTRVRHXAMBD-GFCCVEGCSA-N -1 3 385.855 3.798 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000824334172 608574523 /nfs/dbraw/zinc/57/45/23/608574523.db2.gz QFBDTRVRHXAMBD-GFCCVEGCSA-N -1 3 385.855 3.798 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)nn1C(CC)CC ZINC000825332356 608591132 /nfs/dbraw/zinc/59/11/32/608591132.db2.gz GXBIYMMVBLBGQC-UHFFFAOYSA-N -1 3 396.499 3.807 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3ccccc3-c3nnn[n-]3)oc21 ZINC000826256737 608667074 /nfs/dbraw/zinc/66/70/74/608667074.db2.gz YEUVNFUIXPTOBM-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3ccccc3-c3nn[n-]n3)oc21 ZINC000826256737 608667075 /nfs/dbraw/zinc/66/70/75/608667075.db2.gz YEUVNFUIXPTOBM-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)cc1 ZINC000826292067 608669584 /nfs/dbraw/zinc/66/95/84/608669584.db2.gz GRKOUWHKAFIZJB-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1ccc(OCc2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)cc1 ZINC000826292067 608669585 /nfs/dbraw/zinc/66/95/85/608669585.db2.gz GRKOUWHKAFIZJB-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826213743 608820007 /nfs/dbraw/zinc/82/00/07/608820007.db2.gz KSYPLNPDIBMQNF-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826213743 608820009 /nfs/dbraw/zinc/82/00/09/608820009.db2.gz KSYPLNPDIBMQNF-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826233316 609165551 /nfs/dbraw/zinc/16/55/51/609165551.db2.gz CGKWCPMZDZNYRQ-UHFFFAOYSA-N -1 3 378.358 3.555 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826233316 609165552 /nfs/dbraw/zinc/16/55/52/609165552.db2.gz CGKWCPMZDZNYRQ-UHFFFAOYSA-N -1 3 378.358 3.555 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2ccsc2)c1-c1nnn[n-]1 ZINC000826233500 609168180 /nfs/dbraw/zinc/16/81/80/609168180.db2.gz JWSLWJDAKZQHDB-UHFFFAOYSA-N -1 3 378.461 3.517 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2ccsc2)c1-c1nn[n-]n1 ZINC000826233500 609168181 /nfs/dbraw/zinc/16/81/81/609168181.db2.gz JWSLWJDAKZQHDB-UHFFFAOYSA-N -1 3 378.461 3.517 20 0 GHADHM c1cc(O[C@H]2CCOC2)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517875 609238051 /nfs/dbraw/zinc/23/80/51/609238051.db2.gz ROKHZRFOTDVOCE-AZUAARDMSA-N -1 3 377.448 3.524 20 0 GHADHM c1cc(O[C@H]2CCOC2)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517875 609238052 /nfs/dbraw/zinc/23/80/52/609238052.db2.gz ROKHZRFOTDVOCE-AZUAARDMSA-N -1 3 377.448 3.524 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2-c2nnn[n-]2)CC1 ZINC000826507237 609240868 /nfs/dbraw/zinc/24/08/68/609240868.db2.gz KZUGJQFYLBKPKY-YESZJQIVSA-N -1 3 396.539 3.599 20 0 GHADHM OC1CCN(c2ccc(N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2-c2nn[n-]n2)CC1 ZINC000826507237 609240870 /nfs/dbraw/zinc/24/08/70/609240870.db2.gz KZUGJQFYLBKPKY-YESZJQIVSA-N -1 3 396.539 3.599 20 0 GHADHM Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826283128 609242877 /nfs/dbraw/zinc/24/28/77/609242877.db2.gz LCGJGNKPQMVYCT-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826283128 609242879 /nfs/dbraw/zinc/24/28/79/609242879.db2.gz LCGJGNKPQMVYCT-INIZCTEOSA-N -1 3 392.507 3.618 20 0 GHADHM CC(C)c1nnc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000824364735 609265767 /nfs/dbraw/zinc/26/57/67/609265767.db2.gz SEEPLZHUNLXOSJ-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)c1nnc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000824364735 609265768 /nfs/dbraw/zinc/26/57/68/609265768.db2.gz SEEPLZHUNLXOSJ-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM c1sc(CNc2nnc(Cc3ccc4ccccc4c3)o2)cc1-c1nnn[n-]1 ZINC000826524294 609266958 /nfs/dbraw/zinc/26/69/58/609266958.db2.gz PQDCNIDMBOGPKY-UHFFFAOYSA-N -1 3 389.444 3.667 20 0 GHADHM c1sc(CNc2nnc(Cc3ccc4ccccc4c3)o2)cc1-c1nn[n-]n1 ZINC000826524294 609266959 /nfs/dbraw/zinc/26/69/59/609266959.db2.gz PQDCNIDMBOGPKY-UHFFFAOYSA-N -1 3 389.444 3.667 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826211070 609275775 /nfs/dbraw/zinc/27/57/75/609275775.db2.gz NYLLIGDNWIMYEY-OAHLLOKOSA-N -1 3 387.390 3.966 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826211070 609275777 /nfs/dbraw/zinc/27/57/77/609275777.db2.gz NYLLIGDNWIMYEY-OAHLLOKOSA-N -1 3 387.390 3.966 20 0 GHADHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC1CCOCC1 ZINC000826270689 609280632 /nfs/dbraw/zinc/28/06/32/609280632.db2.gz LEMOODHWLFQDRZ-HNNXBMFYSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC1CCOCC1 ZINC000826270689 609280634 /nfs/dbraw/zinc/28/06/34/609280634.db2.gz LEMOODHWLFQDRZ-HNNXBMFYSA-N -1 3 379.464 3.906 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825434855 609288596 /nfs/dbraw/zinc/28/85/96/609288596.db2.gz HLQMNNUTBYQNJC-UHFFFAOYSA-N -1 3 376.247 3.836 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825434855 609288597 /nfs/dbraw/zinc/28/85/97/609288597.db2.gz HLQMNNUTBYQNJC-UHFFFAOYSA-N -1 3 376.247 3.836 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826340115 609296096 /nfs/dbraw/zinc/29/60/96/609296096.db2.gz HZBWUZQCRMMOHW-UHFFFAOYSA-N -1 3 396.407 3.815 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826340115 609296098 /nfs/dbraw/zinc/29/60/98/609296098.db2.gz HZBWUZQCRMMOHW-UHFFFAOYSA-N -1 3 396.407 3.815 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000826472418 609297664 /nfs/dbraw/zinc/29/76/64/609297664.db2.gz KDHQLAXQTZPFDM-UHFFFAOYSA-N -1 3 393.834 3.956 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000826472418 609297666 /nfs/dbraw/zinc/29/76/66/609297666.db2.gz KDHQLAXQTZPFDM-UHFFFAOYSA-N -1 3 393.834 3.956 20 0 GHADHM CC(C)Oc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000824334204 609319602 /nfs/dbraw/zinc/31/96/02/609319602.db2.gz RLGRDDPEYJQEKK-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(C)o1 ZINC000826155309 609322890 /nfs/dbraw/zinc/32/28/90/609322890.db2.gz LYVINZCMHVFENP-CQSZACIVSA-N -1 3 392.257 3.720 20 0 GHADHM Cn1cc(CNc2cccc(C(F)(F)F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361554 609343678 /nfs/dbraw/zinc/34/36/78/609343678.db2.gz CEAODBWYNNOAQI-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cn1cc(CNc2cccc(C(F)(F)F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361554 609343679 /nfs/dbraw/zinc/34/36/79/609343679.db2.gz CEAODBWYNNOAQI-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM CCc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1C ZINC000825700330 609382794 /nfs/dbraw/zinc/38/27/94/609382794.db2.gz AZIURSWUBKJWRN-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM CCc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1C ZINC000825700330 609382796 /nfs/dbraw/zinc/38/27/96/609382796.db2.gz AZIURSWUBKJWRN-UHFFFAOYSA-N -1 3 376.464 3.934 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000824255530 609382992 /nfs/dbraw/zinc/38/29/92/609382992.db2.gz NBDNHCYPDZIQMG-UHFFFAOYSA-N -1 3 385.859 3.605 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(Cl)c1 ZINC000824255530 609382995 /nfs/dbraw/zinc/38/29/95/609382995.db2.gz NBDNHCYPDZIQMG-UHFFFAOYSA-N -1 3 385.859 3.605 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)s2)o1 ZINC000826273679 609399881 /nfs/dbraw/zinc/39/98/81/609399881.db2.gz PHDZELNHJQKTLJ-UHFFFAOYSA-N -1 3 377.429 3.700 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)s2)o1 ZINC000826273679 609399883 /nfs/dbraw/zinc/39/98/83/609399883.db2.gz PHDZELNHJQKTLJ-UHFFFAOYSA-N -1 3 377.429 3.700 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000826254831 609401973 /nfs/dbraw/zinc/40/19/73/609401973.db2.gz CAETVFCSKBHDCQ-UGSOOPFHSA-N -1 3 395.438 3.788 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000826254831 609401975 /nfs/dbraw/zinc/40/19/75/609401975.db2.gz CAETVFCSKBHDCQ-UGSOOPFHSA-N -1 3 395.438 3.788 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826408420 609404972 /nfs/dbraw/zinc/40/49/72/609404972.db2.gz FHGPOUREWCJWCN-QGZVFWFLSA-N -1 3 393.466 3.735 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826408420 609404975 /nfs/dbraw/zinc/40/49/75/609404975.db2.gz FHGPOUREWCJWCN-QGZVFWFLSA-N -1 3 393.466 3.735 20 0 GHADHM c1sc2ccccc2c1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826523512 609440806 /nfs/dbraw/zinc/44/08/06/609440806.db2.gz OYBPFBKWLVUBNH-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1sc2ccccc2c1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826523512 609440807 /nfs/dbraw/zinc/44/08/07/609440807.db2.gz OYBPFBKWLVUBNH-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000825625682 609446041 /nfs/dbraw/zinc/44/60/41/609446041.db2.gz BFVYJLMILDGTEI-UHFFFAOYSA-N -1 3 398.492 3.803 20 0 GHADHM Brc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000823826621 609472348 /nfs/dbraw/zinc/47/23/48/609472348.db2.gz LPZLEHHGKYJGBC-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cc(-c2ccccc2)n[nH]1 ZINC000824324957 609478594 /nfs/dbraw/zinc/47/85/94/609478594.db2.gz XGRBOSJZCNSLOC-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccccc2)n[nH]1 ZINC000824324957 609478596 /nfs/dbraw/zinc/47/85/96/609478596.db2.gz XGRBOSJZCNSLOC-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cnc(-c2ccccn2)s1 ZINC000824325020 609478660 /nfs/dbraw/zinc/47/86/60/609478660.db2.gz YGYOQPVSPTYPBY-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccccn2)s1 ZINC000824325020 609478661 /nfs/dbraw/zinc/47/86/61/609478661.db2.gz YGYOQPVSPTYPBY-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(NCc2ccc(F)c3cccnc23)cc1-c1nnn[n-]1 ZINC000824328822 609492271 /nfs/dbraw/zinc/49/22/71/609492271.db2.gz BFWKHSLALYCJTE-UHFFFAOYSA-N -1 3 378.411 3.953 20 0 GHADHM CC(C)Oc1ccc(NCc2ccc(F)c3cccnc23)cc1-c1nn[n-]n1 ZINC000824328822 609492273 /nfs/dbraw/zinc/49/22/73/609492273.db2.gz BFWKHSLALYCJTE-UHFFFAOYSA-N -1 3 378.411 3.953 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824309013 609494142 /nfs/dbraw/zinc/49/41/42/609494142.db2.gz DZLHIHANCCJCJC-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824309013 609494143 /nfs/dbraw/zinc/49/41/43/609494143.db2.gz DZLHIHANCCJCJC-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826400638 609501186 /nfs/dbraw/zinc/50/11/86/609501186.db2.gz DDLBUIZWUTYVFK-OUKQBFOZSA-N -1 3 393.450 3.959 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826400638 609501188 /nfs/dbraw/zinc/50/11/88/609501188.db2.gz DDLBUIZWUTYVFK-OUKQBFOZSA-N -1 3 393.450 3.959 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826452596 609509348 /nfs/dbraw/zinc/50/93/48/609509348.db2.gz YVUIGQSXDVGIMA-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000826452596 609509350 /nfs/dbraw/zinc/50/93/50/609509350.db2.gz YVUIGQSXDVGIMA-CQSZACIVSA-N -1 3 383.839 3.666 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(N3CCCCCC3)nc2)c1-c1nnn[n-]1 ZINC000826240169 609536062 /nfs/dbraw/zinc/53/60/62/609536062.db2.gz GVSUILQYLUHIQM-UHFFFAOYSA-N -1 3 398.902 3.611 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(N3CCCCCC3)nc2)c1-c1nn[n-]n1 ZINC000826240169 609536063 /nfs/dbraw/zinc/53/60/63/609536063.db2.gz GVSUILQYLUHIQM-UHFFFAOYSA-N -1 3 398.902 3.611 20 0 GHADHM COc1cccc(C2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)c1 ZINC000826215118 609542332 /nfs/dbraw/zinc/54/23/32/609542332.db2.gz HLZABWISRGEIJQ-UHFFFAOYSA-N -1 3 384.871 3.616 20 0 GHADHM COc1cccc(C2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)c1 ZINC000826215118 609542335 /nfs/dbraw/zinc/54/23/35/609542335.db2.gz HLZABWISRGEIJQ-UHFFFAOYSA-N -1 3 384.871 3.616 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824907954 609576207 /nfs/dbraw/zinc/57/62/07/609576207.db2.gz LKQZZRCNRZEFRK-WCBMZHEXSA-N -1 3 390.207 3.796 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000824909319 609606695 /nfs/dbraw/zinc/60/66/95/609606695.db2.gz SUYDTSZEABGNJN-ZYHUDNBSSA-N -1 3 399.421 3.618 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000824909319 609606697 /nfs/dbraw/zinc/60/66/97/609606697.db2.gz SUYDTSZEABGNJN-ZYHUDNBSSA-N -1 3 399.421 3.618 20 0 GHADHM Cc1cccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1F ZINC000826300401 609621764 /nfs/dbraw/zinc/62/17/64/609621764.db2.gz UAPNFGYIFYWGIE-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM Cc1cccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1F ZINC000826300401 609621765 /nfs/dbraw/zinc/62/17/65/609621765.db2.gz UAPNFGYIFYWGIE-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826467321 609626046 /nfs/dbraw/zinc/62/60/46/609626046.db2.gz QSARLELWFHHZHX-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826467321 609626048 /nfs/dbraw/zinc/62/60/48/609626048.db2.gz QSARLELWFHHZHX-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000176638144 837474030 /nfs/dbraw/zinc/47/40/30/837474030.db2.gz ZEMGNTHWJUEHCD-UHFFFAOYSA-N -1 3 382.485 3.786 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3COc3cccnc3C)nc2)n1 ZINC000579936460 837515055 /nfs/dbraw/zinc/51/50/55/837515055.db2.gz VYDOHZRXUZCKQS-SFHVURJKSA-N -1 3 391.475 3.558 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2nc3cccnc3s2)nc1C1CCCC1 ZINC000431798336 837609549 /nfs/dbraw/zinc/60/95/49/837609549.db2.gz PUPRQEFKBUCRQQ-UHFFFAOYSA-N -1 3 388.474 3.844 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)cc1 ZINC000414392843 837614694 /nfs/dbraw/zinc/61/46/94/837614694.db2.gz FKYKVGLKIHUMEX-UHFFFAOYSA-N -1 3 378.469 3.527 20 0 GHADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1cc(Br)ccc1F ZINC001167294406 837681932 /nfs/dbraw/zinc/68/19/32/837681932.db2.gz PSLWACJSNYGYLF-UHFFFAOYSA-N -1 3 380.261 3.983 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1C ZINC000278768419 834573611 /nfs/dbraw/zinc/57/36/11/834573611.db2.gz SNSIDBIZJPPQNU-UHFFFAOYSA-N -1 3 375.494 3.600 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)ccc1I ZINC000531135355 834601972 /nfs/dbraw/zinc/60/19/72/834601972.db2.gz XZLOPINLKCEPIV-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM CC(C)c1cccc(-c2ccc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)o2)c1 ZINC000890530708 834793963 /nfs/dbraw/zinc/79/39/63/834793963.db2.gz MUEYFGUAFIJERZ-QGZVFWFLSA-N -1 3 392.459 3.574 20 0 GHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(I)cc2)CC1 ZINC000548803274 834797432 /nfs/dbraw/zinc/79/74/32/834797432.db2.gz GZMHMDGRLWRCIA-UHFFFAOYSA-N -1 3 397.187 3.806 20 0 GHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000158875828 834863042 /nfs/dbraw/zinc/86/30/42/834863042.db2.gz XTKZPRAVEIGAEC-UHFFFAOYSA-N -1 3 376.409 3.553 20 0 GHADHM COc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c([O-])c1 ZINC000108951943 834871258 /nfs/dbraw/zinc/87/12/58/834871258.db2.gz IATBJMXBBNDMFV-UHFFFAOYSA-N -1 3 375.852 3.532 20 0 GHADHM COc1ccc(Cn2nc(C)c(CNCc3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000683176604 834927454 /nfs/dbraw/zinc/92/74/54/834927454.db2.gz MIZQKPNIRNJMBT-UHFFFAOYSA-N -1 3 379.460 3.545 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128969648 834937808 /nfs/dbraw/zinc/93/78/08/834937808.db2.gz BKMIIZNUDFSSRG-PIGZYNQJSA-N -1 3 378.831 3.968 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000047031442 834950874 /nfs/dbraw/zinc/95/08/74/834950874.db2.gz JXFJYGHFFVZPKS-GFCCVEGCSA-N -1 3 396.818 3.533 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000610193671 834996724 /nfs/dbraw/zinc/99/67/24/834996724.db2.gz LPRAQFUVOCLLME-UHFFFAOYSA-N -1 3 391.489 3.563 20 0 GHADHM CCCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccc(C)cc1 ZINC000655030369 835003901 /nfs/dbraw/zinc/00/39/01/835003901.db2.gz PXNCWOFVLVLASW-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM CCc1ccc(-c2nc(Cc3nc(=O)c4c(C)c(C)sc4[nH]3)no2)c([O-])c1 ZINC000685217192 835139149 /nfs/dbraw/zinc/13/91/49/835139149.db2.gz RKDXXFMJJMAWHF-UHFFFAOYSA-N -1 3 382.445 3.923 20 0 GHADHM CN(C(=O)c1ccccc1NC([O-])=NO[C@H]1CCCCO1)C1CCCCC1 ZINC000274767539 835195098 /nfs/dbraw/zinc/19/50/98/835195098.db2.gz LRDCTLMUNDMPPC-SFHVURJKSA-N -1 3 375.469 3.671 20 0 GHADHM CN(C(=O)c1ccccc1NC(=O)[N-]O[C@H]1CCCCO1)C1CCCCC1 ZINC000274767539 835195103 /nfs/dbraw/zinc/19/51/03/835195103.db2.gz LRDCTLMUNDMPPC-SFHVURJKSA-N -1 3 375.469 3.671 20 0 GHADHM Cc1ccc(C)c(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)c1 ZINC000119452816 835340025 /nfs/dbraw/zinc/34/00/25/835340025.db2.gz FDBAROIKJVTOET-UHFFFAOYSA-N -1 3 388.471 3.608 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000583990544 835356066 /nfs/dbraw/zinc/35/60/66/835356066.db2.gz PPSHBUSGJRKVCB-UHFFFAOYSA-N -1 3 399.516 3.706 20 0 GHADHM CCS[C@H]1CCC[C@@H](NC(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429942888 844047786 /nfs/dbraw/zinc/04/77/86/844047786.db2.gz MPTHWYAAFAHWLI-OCCSQVGLSA-N -1 3 397.342 3.705 20 0 GHADHM COC(=O)c1ccnc(-c2nc(=O)c3c(-c4ccc(C)cc4)csc3[n-]2)c1 ZINC000151352041 835393760 /nfs/dbraw/zinc/39/37/60/835393760.db2.gz AKBFIGCPGQDDQM-UHFFFAOYSA-N -1 3 377.425 3.809 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)OCCc2sccc21 ZINC000566826941 835469738 /nfs/dbraw/zinc/46/97/38/835469738.db2.gz VYKWRTZRWZHFSW-OAHLLOKOSA-N -1 3 392.329 3.821 20 0 GHADHM CCOc1ccccc1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151535981 835510467 /nfs/dbraw/zinc/51/04/67/835510467.db2.gz UDOLSXFSIBUFHN-UHFFFAOYSA-N -1 3 378.266 3.802 20 0 GHADHM CCc1nnc(C2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)[nH]1 ZINC000191489421 835592351 /nfs/dbraw/zinc/59/23/51/835592351.db2.gz DPQWRRBHQTYJSA-UHFFFAOYSA-N -1 3 390.487 3.683 20 0 GHADHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000728586031 835713149 /nfs/dbraw/zinc/71/31/49/835713149.db2.gz GANKPWNUPFSPDP-GFCCVEGCSA-N -1 3 391.386 3.899 20 0 GHADHM COCCN(Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509873112 844087577 /nfs/dbraw/zinc/08/75/77/844087577.db2.gz YMNDEIDUWXFATL-UHFFFAOYSA-N -1 3 392.459 3.838 20 0 GHADHM CC(C)(C)C(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000584282718 835837456 /nfs/dbraw/zinc/83/74/56/835837456.db2.gz KNJVOERWQYRKOK-UHFFFAOYSA-N -1 3 381.473 3.509 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000468371211 835840459 /nfs/dbraw/zinc/84/04/59/835840459.db2.gz DVAGVLYGQAGJFG-UHFFFAOYSA-N -1 3 376.859 3.856 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(c4ccc(F)cc4)C3)nc2)n1 ZINC000413608987 835985690 /nfs/dbraw/zinc/98/56/90/835985690.db2.gz UHPWPNTZPMTDMR-KRWDZBQOSA-N -1 3 379.439 3.637 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CSCC(=O)c3ccccc3)[nH][n-]2)c1 ZINC000512539990 844112716 /nfs/dbraw/zinc/11/27/16/844112716.db2.gz JHUTUMQEZDBILV-UHFFFAOYSA-N -1 3 379.485 3.670 20 0 GHADHM CCCCn1ncc(C(=O)NCc2ccc([O-])c(Br)c2)c1CC ZINC000430290069 836023492 /nfs/dbraw/zinc/02/34/92/836023492.db2.gz BIZNFTCCXYWTKX-UHFFFAOYSA-N -1 3 380.286 3.644 20 0 GHADHM CC(C)C[C@@H](C(N)=O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000413660867 836033115 /nfs/dbraw/zinc/03/31/15/836033115.db2.gz WRSVJOGXVVMRHE-AWEZNQCLSA-N -1 3 383.473 3.755 20 0 GHADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000569869939 836101470 /nfs/dbraw/zinc/10/14/70/836101470.db2.gz GOCCPAFDWPJDKG-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CC[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(OC)cc1 ZINC000154996394 836266022 /nfs/dbraw/zinc/26/60/22/836266022.db2.gz SJRNOEUBXSUZIV-CQSZACIVSA-N -1 3 376.478 3.589 20 0 GHADHM COc1cc2c(cc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F)O[C@H](C)C2 ZINC001266373178 836336380 /nfs/dbraw/zinc/33/63/80/836336380.db2.gz XDQVMHFWJLWGLJ-SNVBAGLBSA-N -1 3 383.341 3.705 20 0 GHADHM CCCOc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1OCCC ZINC000021844014 836562141 /nfs/dbraw/zinc/56/21/41/836562141.db2.gz CRVLZZHEKBCBNZ-UHFFFAOYSA-N -1 3 387.480 3.536 20 0 GHADHM O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc([O-])c(Br)c1 ZINC000531762801 844189464 /nfs/dbraw/zinc/18/94/64/844189464.db2.gz OFUNQEQBBCSEPX-UHFFFAOYSA-N -1 3 385.261 3.804 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000175130549 836679111 /nfs/dbraw/zinc/67/91/11/836679111.db2.gz YJANGOFBIDKUMH-HUUCEWRRSA-N -1 3 390.480 3.887 20 0 GHADHM COc1cc(C)c([C@@H](C)NCc2ncc(Br)cc2[O-])cc1OC ZINC000892574462 836683884 /nfs/dbraw/zinc/68/38/84/836683884.db2.gz KGBYJVHRZORPQP-LLVKDONJSA-N -1 3 381.270 3.726 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000636115490 836714582 /nfs/dbraw/zinc/71/45/82/836714582.db2.gz QTHUVUITALCQFP-KGLIPLIRSA-N -1 3 380.275 3.952 20 0 GHADHM CN1C(=O)CC[C@@H]1CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000612756239 836721331 /nfs/dbraw/zinc/72/13/31/836721331.db2.gz RLLFLYKMAWDTMK-CYBMUJFWSA-N -1 3 381.457 3.618 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)COc2ccccc2Cc2ccccc2)n1 ZINC000636114016 836723850 /nfs/dbraw/zinc/72/38/50/836723850.db2.gz MCQHRGGQEHXYHX-UHFFFAOYSA-N -1 3 391.471 3.512 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OCc2nccn2C)cc1 ZINC000430351746 836755089 /nfs/dbraw/zinc/75/50/89/836755089.db2.gz GMNIAOXWWHPWJZ-UHFFFAOYSA-N -1 3 389.452 3.556 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000175334958 836794678 /nfs/dbraw/zinc/79/46/78/836794678.db2.gz DHKRPOVKKOMHPF-NRFANRHFSA-N -1 3 395.480 3.624 20 0 GHADHM COCCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)cc(F)cc3C)c2C1 ZINC000430362210 836803577 /nfs/dbraw/zinc/80/35/77/836803577.db2.gz VFMUNNXGKLLGJK-UHFFFAOYSA-N -1 3 392.496 3.595 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2csc(C3CCCC3)n2)[n-]1 ZINC000155326648 836813293 /nfs/dbraw/zinc/81/32/93/836813293.db2.gz BOISKFDJKGNSCP-VWLOTQADSA-N -1 3 391.440 3.764 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccccc3CC)c2)[n-]1 ZINC000432884904 844210016 /nfs/dbraw/zinc/21/00/16/844210016.db2.gz JAWANSLDYHAPNG-UHFFFAOYSA-N -1 3 393.447 3.533 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccccc3CC)c2)n[n-]1 ZINC000432884904 844210027 /nfs/dbraw/zinc/21/00/27/844210027.db2.gz JAWANSLDYHAPNG-UHFFFAOYSA-N -1 3 393.447 3.533 20 0 GHADHM COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC1(CC(=O)[O-])CC1)CC2 ZINC000582008560 844216231 /nfs/dbraw/zinc/21/62/31/844216231.db2.gz RKQSVFQLLXEZDP-HXUWFJFHSA-N -1 3 387.501 3.968 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)c(C)o1 ZINC000175864683 837037201 /nfs/dbraw/zinc/03/72/01/837037201.db2.gz XJCJRZFJLJBDHA-IBGZPJMESA-N -1 3 398.484 3.627 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cc(Br)ccc1Cl ZINC000186160034 837071480 /nfs/dbraw/zinc/07/14/80/837071480.db2.gz XANPKBOJSJFNNH-GFCCVEGCSA-N -1 3 396.734 3.730 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc12 ZINC000177723859 837076323 /nfs/dbraw/zinc/07/63/23/837076323.db2.gz HYVNUBHLUNMBOR-PWFNWSNSSA-N -1 3 385.485 3.737 20 0 GHADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)NN=c1cncc(Cl)[n-]1 ZINC000187429093 838118428 /nfs/dbraw/zinc/11/84/28/838118428.db2.gz HRJGHBJKERUUJN-UHFFFAOYSA-N -1 3 385.777 3.507 20 0 GHADHM Cc1ccc([C@H](C)CNC(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000162296889 838160363 /nfs/dbraw/zinc/16/03/63/838160363.db2.gz XCXLKTDXHGZRGA-CYBMUJFWSA-N -1 3 390.281 3.505 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000162296752 838160410 /nfs/dbraw/zinc/16/04/10/838160410.db2.gz XCXLKTDXHGZRGA-ZDUSSCGKSA-N -1 3 390.281 3.505 20 0 GHADHM CCC1CCC([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)(C(=O)OC)CC1 ZINC000549388640 838254397 /nfs/dbraw/zinc/25/43/97/838254397.db2.gz MXGHZJRWXHJIIG-UHFFFAOYSA-N -1 3 389.464 3.556 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000129057741 844315681 /nfs/dbraw/zinc/31/56/81/844315681.db2.gz CTEMADBJDPMHAR-YADHBBJMSA-N -1 3 392.499 3.604 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1N1CCOCC1 ZINC000782918550 838380983 /nfs/dbraw/zinc/38/09/83/838380983.db2.gz URLREFSEYJGNRI-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM [O-]C(=Cc1nc(-c2ccncc2Br)no1)c1ccccc1Cl ZINC001211647503 838561928 /nfs/dbraw/zinc/56/19/28/838561928.db2.gz SLBQLZRKOPXQJV-UHFFFAOYSA-N -1 3 378.613 3.973 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nc(C(F)(F)F)cs1 ZINC000683764762 838604940 /nfs/dbraw/zinc/60/49/40/838604940.db2.gz WRCYAAJJIJYZCK-MRVPVSSYSA-N -1 3 376.381 3.948 20 0 GHADHM CCC1(CC)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000183853477 838759643 /nfs/dbraw/zinc/75/96/43/838759643.db2.gz FQHAISMMYWDYKR-MHZLTWQESA-N -1 3 387.501 3.948 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)ccc1F ZINC000175888776 838777709 /nfs/dbraw/zinc/77/77/09/838777709.db2.gz FPUOVYONAUGNQZ-UHFFFAOYSA-N -1 3 399.447 3.730 20 0 GHADHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000893203968 838862926 /nfs/dbraw/zinc/86/29/26/838862926.db2.gz GBUGFVOACKIDCR-UHFFFAOYSA-N -1 3 377.366 3.602 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCc2ccccc21 ZINC000183000055 838882915 /nfs/dbraw/zinc/88/29/15/838882915.db2.gz DKIMYQJZYDZEKT-NRFANRHFSA-N -1 3 386.451 3.843 20 0 GHADHM Cc1ccc(C)c(NC(=S)N[N-]C(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000049994298 838984247 /nfs/dbraw/zinc/98/42/47/838984247.db2.gz RVUPZZYIAGBAPO-UHFFFAOYSA-N -1 3 399.907 3.774 20 0 GHADHM Cc1ccccc1Cc1noc(CO[N-]C(=O)Cc2cccc3ccccc32)n1 ZINC000175904891 838989598 /nfs/dbraw/zinc/98/95/98/838989598.db2.gz YSDNQVOXXREMHG-UHFFFAOYSA-N -1 3 387.439 3.913 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000183788515 839079031 /nfs/dbraw/zinc/07/90/31/839079031.db2.gz KDVMCPKZABIQNC-IIBYNOLFSA-N -1 3 380.488 3.948 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cccnc1C(F)(F)F ZINC000580229768 839085186 /nfs/dbraw/zinc/08/51/86/839085186.db2.gz LSQWKVNNFOLNMO-UHFFFAOYSA-N -1 3 386.395 3.510 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)[C@@H](C)[C@H]3C)nc(=O)c2c1C ZINC000419371942 844399981 /nfs/dbraw/zinc/39/99/81/844399981.db2.gz LSKUIWIHGGXKFD-YGNMPJRFSA-N -1 3 377.510 3.507 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccco1 ZINC000416433788 839211269 /nfs/dbraw/zinc/21/12/69/839211269.db2.gz QXASZZOTRSDPQB-HXUWFJFHSA-N -1 3 393.505 3.504 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC2(CCOCC2)O1 ZINC000548076946 839242396 /nfs/dbraw/zinc/24/23/96/839242396.db2.gz WKOXWYJZPCRNLH-SFHVURJKSA-N -1 3 395.499 3.588 20 0 GHADHM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000189353039 839341373 /nfs/dbraw/zinc/34/13/73/839341373.db2.gz GMSFUGJQBZIHSV-SBHAEUEKSA-N -1 3 392.499 3.524 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000613671101 839425942 /nfs/dbraw/zinc/42/59/42/839425942.db2.gz NYIDPYCBJDPEBH-CZUORRHYSA-N -1 3 393.484 3.653 20 0 GHADHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000416587255 839468455 /nfs/dbraw/zinc/46/84/55/839468455.db2.gz HXPLKYCWGRPBJD-LKFCYVNXSA-N -1 3 396.734 3.584 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)nc2)n1 ZINC000656224578 839603670 /nfs/dbraw/zinc/60/36/70/839603670.db2.gz MYGVCHTXJVUDPY-KBPBESRZSA-N -1 3 382.386 3.719 20 0 GHADHM Cc1nsc([N-]C(=O)c2cc(Br)sc2Br)n1 ZINC000231579876 839857001 /nfs/dbraw/zinc/85/70/01/839857001.db2.gz BXFSYAQJRBLPMV-UHFFFAOYSA-N -1 3 383.090 3.685 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1C ZINC000605654964 840228504 /nfs/dbraw/zinc/22/85/04/840228504.db2.gz KREKLSVTWRCUGT-UHFFFAOYSA-N -1 3 391.489 3.610 20 0 GHADHM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC000278835927 840234651 /nfs/dbraw/zinc/23/46/51/840234651.db2.gz ZHTRQQHZBSPFNS-UHFFFAOYSA-N -1 3 391.493 3.724 20 0 GHADHM CCSc1cccc(C(=O)N[N-]C(=O)c2ccccc2Br)c1 ZINC000160669422 840351633 /nfs/dbraw/zinc/35/16/33/840351633.db2.gz IFWYOXKRASCICD-UHFFFAOYSA-N -1 3 379.279 3.636 20 0 GHADHM O=C(Nc1cccc2cc[nH]c21)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000548145518 840435162 /nfs/dbraw/zinc/43/51/62/840435162.db2.gz BEFKLGOWUSPZPP-UHFFFAOYSA-N -1 3 398.419 3.688 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000584720348 840665197 /nfs/dbraw/zinc/66/51/97/840665197.db2.gz ZSCVJVSDLOLQJE-PERKRYKHSA-N -1 3 398.478 3.559 20 0 GHADHM CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc([O-])c1Br ZINC000656414357 840772279 /nfs/dbraw/zinc/77/22/79/840772279.db2.gz YWLGDCVQHPLLKR-UHFFFAOYSA-N -1 3 389.293 3.679 20 0 GHADHM CCn1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cn1 ZINC000027925363 840867908 /nfs/dbraw/zinc/86/79/08/840867908.db2.gz FVVDMRGQZQNZGA-UHFFFAOYSA-N -1 3 398.488 3.573 20 0 GHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc2c1C ZINC000473507917 844588938 /nfs/dbraw/zinc/58/89/38/844588938.db2.gz XJJNDZNSCPAYPP-UHFFFAOYSA-N -1 3 395.383 3.997 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(Cl)c1 ZINC000026528122 840991546 /nfs/dbraw/zinc/99/15/46/840991546.db2.gz KYLLWRXSRXCQGH-UHFFFAOYSA-N -1 3 394.301 3.506 20 0 GHADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1F ZINC000417554431 840998417 /nfs/dbraw/zinc/99/84/17/840998417.db2.gz JIVRNFFNANUFGE-MRXNPFEDSA-N -1 3 377.412 3.547 20 0 GHADHM COCC[C@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000417587322 841035333 /nfs/dbraw/zinc/03/53/33/841035333.db2.gz DJOHZCNESWFUPC-LBPRGKRZSA-N -1 3 375.277 3.696 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)C1 ZINC000026874816 841036608 /nfs/dbraw/zinc/03/66/08/841036608.db2.gz UOWIHWCADMJSPA-KOLCDFICSA-N -1 3 396.734 3.968 20 0 GHADHM O=C([O-])C[C@H](CNCc1cnc(-c2c(F)cccc2F)s1)C(F)(F)F ZINC000417618817 841059064 /nfs/dbraw/zinc/05/90/64/841059064.db2.gz DIJTZDXIDDEJRI-MRVPVSSYSA-N -1 3 380.338 3.831 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000581318922 841064942 /nfs/dbraw/zinc/06/49/42/841064942.db2.gz LUFDKDSDONUJDU-HNNXBMFYSA-N -1 3 383.839 3.567 20 0 GHADHM COc1cc(Br)ccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417626352 841077718 /nfs/dbraw/zinc/07/77/18/841077718.db2.gz MWYWKIWKCWJRIL-CVEARBPZSA-N -1 3 376.250 3.861 20 0 GHADHM O=S(=O)(CC12CCC(CC1)CC2)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000432198737 841085384 /nfs/dbraw/zinc/08/53/84/841085384.db2.gz PWLUPOUSYRGVGR-UHFFFAOYSA-N -1 3 395.912 3.780 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC000417639165 841090770 /nfs/dbraw/zinc/09/07/70/841090770.db2.gz LKYPEUSUYVWHAG-WBMJQRKESA-N -1 3 394.313 3.952 20 0 GHADHM Cc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1NC(=O)c1ccco1 ZINC000125070434 841247418 /nfs/dbraw/zinc/24/74/18/841247418.db2.gz QMQBHRQSZOVSKQ-ATVHPVEESA-N -1 3 387.395 3.563 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCc1cccc2c1CCCN2 ZINC000417903997 841254617 /nfs/dbraw/zinc/25/46/17/841254617.db2.gz SPCCUYASDYQARI-UHFFFAOYSA-N -1 3 390.281 3.512 20 0 GHADHM COc1ccnc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000430590481 841280399 /nfs/dbraw/zinc/28/03/99/841280399.db2.gz CKDPWXUMYFXQSK-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000500051114 841334573 /nfs/dbraw/zinc/33/45/73/841334573.db2.gz WMAOEEVHYDWULN-GUYCJALGSA-N -1 3 376.453 3.545 20 0 GHADHM CCOc1cc(/C=C\C(=O)NCc2ccc([O-])c(Br)c2)ccc1O ZINC000588413192 841438573 /nfs/dbraw/zinc/43/85/73/841438573.db2.gz DBHQRAGXUWZFCV-YVMONPNESA-N -1 3 392.249 3.589 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1csc(-c2ccccc2)n1 ZINC000500435140 841514126 /nfs/dbraw/zinc/51/41/26/841514126.db2.gz UQTXQXCFNIMFQC-UHFFFAOYSA-N -1 3 387.511 3.898 20 0 GHADHM O=S(=O)([N-]CCCOC1CCCCC1)c1csc(-c2ccccc2)n1 ZINC000500434559 841693454 /nfs/dbraw/zinc/69/34/54/841693454.db2.gz RXKYNQPQQGDXKU-UHFFFAOYSA-N -1 3 380.535 3.828 20 0 GHADHM CO[C@](C)(C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1F ZINC000430615653 841747065 /nfs/dbraw/zinc/74/70/65/841747065.db2.gz CWOPYXYWLHQAJH-FQEVSTJZSA-N -1 3 380.379 3.857 20 0 GHADHM CO[C@](C)(C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1F ZINC000430615653 841747075 /nfs/dbraw/zinc/74/70/75/841747075.db2.gz CWOPYXYWLHQAJH-FQEVSTJZSA-N -1 3 380.379 3.857 20 0 GHADHM C[C@H]1CC[C@@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430617659 841784356 /nfs/dbraw/zinc/78/43/56/841784356.db2.gz OBAQFCQMPWWBNX-WCBMZHEXSA-N -1 3 383.673 3.862 20 0 GHADHM CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000192790941 841820774 /nfs/dbraw/zinc/82/07/74/841820774.db2.gz STEOYGOOONBUAF-OAQYLSRUSA-N -1 3 388.439 3.588 20 0 GHADHM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1Cl ZINC000909364318 841834894 /nfs/dbraw/zinc/83/48/94/841834894.db2.gz CACZXQPSLCOAFJ-INIZCTEOSA-N -1 3 380.872 3.539 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2nccc(C)c2Br)cc1 ZINC000656741519 841866022 /nfs/dbraw/zinc/86/60/22/841866022.db2.gz PKFVOYOXCOWQAC-UHFFFAOYSA-N -1 3 385.283 3.742 20 0 GHADHM CCOc1ccc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)n2)cc1 ZINC000656766081 841903957 /nfs/dbraw/zinc/90/39/57/841903957.db2.gz PZOXPUWCKRVIAY-FGTMMUONSA-N -1 3 385.464 3.601 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)CCc3ccccc3Cl)CCCCCC2)no1 ZINC000656876604 842060779 /nfs/dbraw/zinc/06/07/79/842060779.db2.gz XTSCXCXEEZDIKX-UHFFFAOYSA-N -1 3 397.928 3.743 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccncc1[O-] ZINC000512002089 842092173 /nfs/dbraw/zinc/09/21/73/842092173.db2.gz MVVSWQQWXSUPLK-UHFFFAOYSA-N -1 3 378.215 3.742 20 0 GHADHM Cc1cc(Br)ccc1C[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000581776855 842210302 /nfs/dbraw/zinc/21/03/02/842210302.db2.gz ZJNVCRVNILNHFT-QFIPXVFZSA-N -1 3 381.295 3.579 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000730809227 861298001 /nfs/dbraw/zinc/29/80/01/861298001.db2.gz MIZKZRNHNNOAPG-GIPNMCIBSA-N -1 3 394.306 3.700 20 0 GHADHM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)on1 ZINC000328829383 842377518 /nfs/dbraw/zinc/37/75/18/842377518.db2.gz UMYNWWDXNJSGKU-KRWDZBQOSA-N -1 3 379.420 3.823 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000178064337 861302795 /nfs/dbraw/zinc/30/27/95/861302795.db2.gz ARLLQVTXJGTTCH-CZUORRHYSA-N -1 3 395.322 3.695 20 0 GHADHM C[C@H]([N-]S(=O)(=O)CCc1ccccc1Cl)c1nc(C2CCCCC2)no1 ZINC000656921473 842403484 /nfs/dbraw/zinc/40/34/84/842403484.db2.gz BVYOOAYSIUTFAO-ZDUSSCGKSA-N -1 3 397.928 3.994 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)sc1Cl ZINC000432274486 842466170 /nfs/dbraw/zinc/46/61/70/842466170.db2.gz KXBZGSAZXFNUSW-HNNXBMFYSA-N -1 3 385.938 3.892 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccn1)c1cc(Cl)ccc1Cl ZINC000432275414 842481932 /nfs/dbraw/zinc/48/19/32/842481932.db2.gz RZNABOUVJCYNEF-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000663109098 842492240 /nfs/dbraw/zinc/49/22/40/842492240.db2.gz XYWAXFAWXOOSRC-IBGZPJMESA-N -1 3 386.536 3.781 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC000473217424 842690044 /nfs/dbraw/zinc/69/00/44/842690044.db2.gz ZNNITVMRLPZSRQ-VIFPVBQESA-N -1 3 377.416 3.713 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)[C@H](C)N(Cc4ccccc4)C3=O)cc2)cc(=O)[n-]1 ZINC000348364895 861346953 /nfs/dbraw/zinc/34/69/53/861346953.db2.gz HXCIQINLNLJRTC-AWEZNQCLSA-N -1 3 388.427 3.515 20 0 GHADHM O=C(c1ccccc1[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000184499435 842813672 /nfs/dbraw/zinc/81/36/72/842813672.db2.gz HONCLJLHCKSPDZ-MRXNPFEDSA-N -1 3 380.213 3.508 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cc(Br)ccc1Cl ZINC000581961418 842824134 /nfs/dbraw/zinc/82/41/34/842824134.db2.gz XUJGBVXVQMSDAP-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511963312 842873171 /nfs/dbraw/zinc/87/31/71/842873171.db2.gz CLHPGBOSBJGEAW-SNVBAGLBSA-N -1 3 378.354 3.526 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000663250140 842890717 /nfs/dbraw/zinc/89/07/17/842890717.db2.gz OIHFUBCHYLHABA-JTQLQIEISA-N -1 3 386.395 3.754 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccnc2-c2ccc(Cl)s2)c(=O)[n-]1 ZINC000187121215 842907896 /nfs/dbraw/zinc/90/78/96/842907896.db2.gz AWPOMQZSQKWSJM-UHFFFAOYSA-N -1 3 388.880 3.735 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000663260851 842942947 /nfs/dbraw/zinc/94/29/47/842942947.db2.gz DKEALUULAXAZBO-ZWKOTPCHSA-N -1 3 395.377 3.789 20 0 GHADHM O=S(=O)([N-]CCc1ccc(-n2cccn2)cc1)c1c(Cl)cccc1Cl ZINC000014210072 861361533 /nfs/dbraw/zinc/36/15/33/861361533.db2.gz JUABXLDVHRYRJG-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H]1CCCC[C@H]1C ZINC000185779054 843029236 /nfs/dbraw/zinc/02/92/36/843029236.db2.gz YATUJAJAMSDINO-FZKQIMNGSA-N -1 3 385.464 3.982 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC000663298084 843030334 /nfs/dbraw/zinc/03/03/34/843030334.db2.gz ASIINIJOKYZKQH-UHFFFAOYSA-N -1 3 394.493 3.601 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)c1cccs1 ZINC000512201683 843072434 /nfs/dbraw/zinc/07/24/34/843072434.db2.gz KVKMETKNYZCUJC-UHFFFAOYSA-N -1 3 392.315 3.906 20 0 GHADHM CCc1cccc2c1N(Cc1nc(=O)c3c(C)c(C(=O)OC)sc3[n-]1)CCC2 ZINC000510626085 843078354 /nfs/dbraw/zinc/07/83/54/843078354.db2.gz AKDOEEIXNSJPMG-UHFFFAOYSA-N -1 3 397.500 3.595 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@@H]2CCCC[C@H]2C)cc1OC ZINC000512233253 843172706 /nfs/dbraw/zinc/17/27/06/843172706.db2.gz HEDBPPAIZDVQSL-CABCVRRESA-N -1 3 397.541 3.795 20 0 GHADHM COc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)ccc1OCCC(C)C ZINC000512267290 843276860 /nfs/dbraw/zinc/27/68/60/843276860.db2.gz OOUHSNJMDFSDJA-UHFFFAOYSA-N -1 3 380.448 3.579 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(F)c3C)n2)ccc1F ZINC000471896185 843303394 /nfs/dbraw/zinc/30/33/94/843303394.db2.gz NZQYRCXXCLAZQE-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)ccc1F ZINC000471897564 843325796 /nfs/dbraw/zinc/32/57/96/843325796.db2.gz HJEKMESGQNUQQA-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM Cc1ccsc1CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000549605040 843370877 /nfs/dbraw/zinc/37/08/77/843370877.db2.gz QMTXXCRAQSZCMQ-UHFFFAOYSA-N -1 3 391.290 3.933 20 0 GHADHM COc1ccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)c(Cl)c1OC ZINC000500478416 843507382 /nfs/dbraw/zinc/50/73/82/843507382.db2.gz JEWFKIGQENACHB-UHFFFAOYSA-N -1 3 395.858 3.884 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330307807 843642199 /nfs/dbraw/zinc/64/21/99/843642199.db2.gz LYQUEZMMIAFMNF-LIRRHRJNSA-N -1 3 388.464 3.641 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000303107012 843703737 /nfs/dbraw/zinc/70/37/37/843703737.db2.gz FDYHRVZWNUVQCD-UHFFFAOYSA-N -1 3 386.336 3.829 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1F)c1cc(Br)ccc1Cl ZINC000303177771 843707768 /nfs/dbraw/zinc/70/77/68/843707768.db2.gz KFXHDJKASIFMFJ-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432762761 843746075 /nfs/dbraw/zinc/74/60/75/843746075.db2.gz JWLFMAACJHWHCD-UHFFFAOYSA-N -1 3 391.489 3.643 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cnc(-c2ccccc2)nc1 ZINC000481472995 861464263 /nfs/dbraw/zinc/46/42/63/861464263.db2.gz GCULSMZLJVMCGU-UHFFFAOYSA-N -1 3 399.248 3.933 20 0 GHADHM CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000187437759 843854035 /nfs/dbraw/zinc/85/40/35/843854035.db2.gz RUXGNTAXGPSUIT-ORYQWCPZSA-N -1 3 380.488 3.900 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)c1cc(=O)[nH]c2ccccc21 ZINC000647772461 843937379 /nfs/dbraw/zinc/93/73/79/843937379.db2.gz WIWSRSBXPJXIGJ-UHFFFAOYSA-N -1 3 382.383 3.526 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000433313589 843998614 /nfs/dbraw/zinc/99/86/14/843998614.db2.gz QUVRBKRSAOXBBF-UHFFFAOYSA-N -1 3 382.869 3.758 20 0 GHADHM C[C@@]1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC=CCC1 ZINC000458326442 845008445 /nfs/dbraw/zinc/00/84/45/845008445.db2.gz ZXJSBUUOJHXRLM-HXUWFJFHSA-N -1 3 388.464 3.855 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000481501392 861527632 /nfs/dbraw/zinc/52/76/32/861527632.db2.gz SMKAKFFVNBFKJN-CYBMUJFWSA-N -1 3 396.242 3.592 20 0 GHADHM CC[C@H](NCc1cccc([O-])c1Cl)c1ccccc1OCC(=O)N(C)C ZINC000645146819 845265272 /nfs/dbraw/zinc/26/52/72/845265272.db2.gz ZYUDBHUZUHRBSX-INIZCTEOSA-N -1 3 376.884 3.754 20 0 GHADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cscc1Br ZINC001211805527 845562470 /nfs/dbraw/zinc/56/24/70/845562470.db2.gz CODWJCAFQOAFAR-UHFFFAOYSA-N -1 3 396.328 3.850 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000433952664 845661506 /nfs/dbraw/zinc/66/15/06/845661506.db2.gz XRUUIWPRHDRYPO-UHFFFAOYSA-N -1 3 398.912 3.592 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)c(Cl)n2C)c(C(=O)OCC)[n-]1 ZINC001269124982 846190306 /nfs/dbraw/zinc/19/03/06/846190306.db2.gz ZITKQIPEMFYALX-UHFFFAOYSA-N -1 3 387.267 3.827 20 0 GHADHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(Cl)c(Cl)n2C)[n-]1 ZINC001269124982 846190312 /nfs/dbraw/zinc/19/03/12/846190312.db2.gz ZITKQIPEMFYALX-UHFFFAOYSA-N -1 3 387.267 3.827 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1OC ZINC000072005634 846201894 /nfs/dbraw/zinc/20/18/94/846201894.db2.gz AHMJNGSDXKUGHV-WMLDXEAASA-N -1 3 380.510 3.634 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCC[C@]1(O)C(F)(F)F ZINC001140547702 846224380 /nfs/dbraw/zinc/22/43/80/846224380.db2.gz KKQHLAYOEXMXNC-QMTHXVAHSA-N -1 3 382.220 3.680 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c3ccco3)n1)O[C@@H](C)C2 ZINC000502649395 846315113 /nfs/dbraw/zinc/31/51/13/846315113.db2.gz PJIOMISMYDXUTA-CORIIIEPSA-N -1 3 394.431 3.529 20 0 GHADHM O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cc([O-])ccc1Cl ZINC000431355685 846319715 /nfs/dbraw/zinc/31/97/15/846319715.db2.gz JEUWENIUURFQEN-UHFFFAOYSA-N -1 3 398.846 3.828 20 0 GHADHM Cc1nc([N-]c2ncnc3oc(-c4ccccc4)cc32)sc1SCC(N)=O ZINC000502747866 846430692 /nfs/dbraw/zinc/43/06/92/846430692.db2.gz SYIOQEOWXHWHTH-UHFFFAOYSA-N -1 3 397.485 3.976 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000548689142 846451669 /nfs/dbraw/zinc/45/16/69/846451669.db2.gz VIQHEDKNTCVOFJ-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)c1sccc1C1CC1 ZINC000421683202 846485855 /nfs/dbraw/zinc/48/58/55/846485855.db2.gz RVXQFFUEBJLVNW-UHFFFAOYSA-N -1 3 394.216 3.821 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000179679799 861701090 /nfs/dbraw/zinc/70/10/90/861701090.db2.gz YQJFTSPZSLTFLK-RDJZCZTQSA-N -1 3 382.794 3.653 20 0 GHADHM CN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Oc2ccccc2)cc1 ZINC000502960783 846665000 /nfs/dbraw/zinc/66/50/00/846665000.db2.gz KAYRPZWHGWEHHP-UHFFFAOYSA-N -1 3 397.456 3.522 20 0 GHADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)Nc1ccccc1OC(F)F ZINC000419607294 846673708 /nfs/dbraw/zinc/67/37/08/846673708.db2.gz UFBXKQTVZVSEND-JTQLQIEISA-N -1 3 395.431 3.921 20 0 GHADHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000509945905 846870117 /nfs/dbraw/zinc/87/01/17/846870117.db2.gz PZQAPOGQSXPYMA-ZIAGYGMSSA-N -1 3 383.819 3.595 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000158168544 847044193 /nfs/dbraw/zinc/04/41/93/847044193.db2.gz DZSKHMPUSMJWPA-JOYOIKCWSA-N -1 3 397.415 3.697 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3oc4ccc(OC)cc4c3C)nc21 ZINC000162471272 861751040 /nfs/dbraw/zinc/75/10/40/861751040.db2.gz JJOVFDIVWFETPB-UHFFFAOYSA-N -1 3 379.372 3.665 20 0 GHADHM COC(=O)c1cccc2nc(NC(=O)c3oc4ccc(OC)cc4c3C)[n-]c21 ZINC000162471272 861751046 /nfs/dbraw/zinc/75/10/46/861751046.db2.gz JJOVFDIVWFETPB-UHFFFAOYSA-N -1 3 379.372 3.665 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC2(CCC2)C1 ZINC000158567275 847100289 /nfs/dbraw/zinc/10/02/89/847100289.db2.gz VVIVWRDSOLONQQ-UHFFFAOYSA-N -1 3 388.464 3.643 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000731630662 861772972 /nfs/dbraw/zinc/77/29/72/861772972.db2.gz KWMLSVLDFZHHAU-MRXNPFEDSA-N -1 3 388.395 3.833 20 0 GHADHM Cc1ccc(SC2(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)CCCC2)cc1 ZINC000431426699 847399967 /nfs/dbraw/zinc/39/99/67/847399967.db2.gz IFYNHAWIVMVZOM-UHFFFAOYSA-N -1 3 385.533 3.871 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000502254167 847658199 /nfs/dbraw/zinc/65/81/99/847658199.db2.gz HSDAVKOWELSYJU-IBGZPJMESA-N -1 3 389.521 3.704 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(F)cc(Br)cc1F ZINC000421161689 847797000 /nfs/dbraw/zinc/79/70/00/847797000.db2.gz XWXWDIIFLVSMNP-JTQLQIEISA-N -1 3 386.258 3.530 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000421164255 847799615 /nfs/dbraw/zinc/79/96/15/847799615.db2.gz KGGYJKJKGRZJNT-AWEZNQCLSA-N -1 3 386.411 3.603 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)cc1C ZINC000685002524 848118865 /nfs/dbraw/zinc/11/88/65/848118865.db2.gz VVHNXBZTWISZGQ-UHFFFAOYSA-N -1 3 385.489 3.903 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000731787552 861870547 /nfs/dbraw/zinc/87/05/47/861870547.db2.gz VQKXEKZEKFPHOM-ZHACJKMWSA-N -1 3 389.864 3.789 20 0 GHADHM O=S(=O)([N-][C@@H](CCc1ccccc1)C(F)F)c1ccccc1OC(F)F ZINC000625424184 861877766 /nfs/dbraw/zinc/87/77/66/861877766.db2.gz SDYIQLGSMBHZOY-ZDUSSCGKSA-N -1 3 391.386 3.833 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)cc1 ZINC000582741419 848258775 /nfs/dbraw/zinc/25/87/75/848258775.db2.gz HYKGBVFXSZENGR-UHFFFAOYSA-N -1 3 377.425 3.508 20 0 GHADHM CCCCS(=O)(=O)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000277877263 848292020 /nfs/dbraw/zinc/29/20/20/848292020.db2.gz GHJGEFYVMTVECP-UHFFFAOYSA-N -1 3 386.473 3.748 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)c(N4CCCC4)c(F)c3)ccc2O1 ZINC000731783300 861889967 /nfs/dbraw/zinc/88/99/67/861889967.db2.gz ZYTKAEXYYZDYKC-LBPRGKRZSA-N -1 3 394.443 3.689 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1OC ZINC000731783555 861890279 /nfs/dbraw/zinc/89/02/79/861890279.db2.gz OTQCFXQPALBGAZ-UHFFFAOYSA-N -1 3 384.885 3.532 20 0 GHADHM CC(C)CCO[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126123727 848943478 /nfs/dbraw/zinc/94/34/78/848943478.db2.gz YMKAWRQDYLSIAR-CQSZACIVSA-N -1 3 385.302 3.501 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1[O-] ZINC000531117072 849179237 /nfs/dbraw/zinc/17/92/37/849179237.db2.gz RTXPQXIDIFKVRN-CQSZACIVSA-N -1 3 378.432 3.603 20 0 GHADHM COc1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc(OC)c1[O-] ZINC000155071812 849444987 /nfs/dbraw/zinc/44/49/87/849444987.db2.gz ACKZMQOZBWSOIK-LJQANCHMSA-N -1 3 398.846 3.977 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000583351026 849684890 /nfs/dbraw/zinc/68/48/90/849684890.db2.gz FIDWETHRWCMSJN-CQSZACIVSA-N -1 3 375.387 3.834 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)nnn1-c1ccccc1 ZINC000604264203 862046709 /nfs/dbraw/zinc/04/67/09/862046709.db2.gz SQIGEPSPDRNQPH-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nnc(-c4ccsc4)s3)c[n-]c12 ZINC000156067230 849751049 /nfs/dbraw/zinc/75/10/49/849751049.db2.gz OKAJCHOBBPLRQM-UHFFFAOYSA-N -1 3 386.433 3.808 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCC(=O)C(C)(C)C)nc(=O)c2c1C ZINC000434803088 849786626 /nfs/dbraw/zinc/78/66/26/849786626.db2.gz OYYCRZLKOUPMSA-SNVBAGLBSA-N -1 3 396.534 3.879 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504018023 849847580 /nfs/dbraw/zinc/84/75/80/849847580.db2.gz CQIYKESTAOTCCD-UHFFFAOYSA-N -1 3 395.786 3.901 20 0 GHADHM CCn1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1-c1ccccc1 ZINC000427613762 849858135 /nfs/dbraw/zinc/85/81/35/849858135.db2.gz DTFPRJJCLILYLL-UHFFFAOYSA-N -1 3 393.397 3.913 20 0 GHADHM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000504264231 849997594 /nfs/dbraw/zinc/99/75/94/849997594.db2.gz HFZLQJZIQXQXFJ-UHFFFAOYSA-N -1 3 388.708 3.944 20 0 GHADHM COc1ccc(-c2cc3[n-]c(-c4ccc5[nH]nnc5c4)nc(=O)c3s2)cc1 ZINC000504502957 850103028 /nfs/dbraw/zinc/10/30/28/850103028.db2.gz NTCIUECZSRQWNS-UHFFFAOYSA-N -1 3 375.413 3.599 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000518783232 850145946 /nfs/dbraw/zinc/14/59/46/850145946.db2.gz BDPBPWACNDQFCC-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(C(F)(F)F)cs1 ZINC000486837492 850162202 /nfs/dbraw/zinc/16/22/02/850162202.db2.gz DLHFJKPKQAAKNQ-YFKPBYRVSA-N -1 3 376.834 3.916 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)c1 ZINC000435192028 850204771 /nfs/dbraw/zinc/20/47/71/850204771.db2.gz OVKABVJZYMPORG-UHFFFAOYSA-N -1 3 390.574 3.907 20 0 GHADHM Cc1ccc(COc2cccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)c2)cc1 ZINC000732144467 862106482 /nfs/dbraw/zinc/10/64/82/862106482.db2.gz VFLIBJBOTOUXPL-UHFFFAOYSA-N -1 3 377.444 3.868 20 0 GHADHM COC(=O)c1ccc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)[n-]1 ZINC000504681280 850234621 /nfs/dbraw/zinc/23/46/21/850234621.db2.gz VTLKQFQIKXAEIL-MRXNPFEDSA-N -1 3 389.455 3.857 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000514790763 850290425 /nfs/dbraw/zinc/29/04/25/850290425.db2.gz CKYNJSDUGACVSR-FQEVSTJZSA-N -1 3 394.515 3.953 20 0 GHADHM CC1CCN([C@H](CNC(=O)N(C)C2(C(=O)[O-])CCCC2)c2cccs2)CC1 ZINC000908748837 850320647 /nfs/dbraw/zinc/32/06/47/850320647.db2.gz IJABCRVRLWNCAE-MRXNPFEDSA-N -1 3 393.553 3.560 20 0 GHADHM CN(C(=O)CN1CCCC[C@@H]1CCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000424265043 850324501 /nfs/dbraw/zinc/32/45/01/850324501.db2.gz UVIRHWVRLOKUNA-OAQYLSRUSA-N -1 3 394.515 3.954 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])N(C)C)cc1 ZINC000908754318 850331294 /nfs/dbraw/zinc/33/12/94/850331294.db2.gz RBPUIHYTIJKRIV-DYESRHJHSA-N -1 3 397.519 3.537 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)N(C)C)cc1 ZINC000908754768 850332920 /nfs/dbraw/zinc/33/29/20/850332920.db2.gz VFBHQCFJBNCSIB-RTWAWAEBSA-N -1 3 397.519 3.594 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1[O-] ZINC000425326195 850336704 /nfs/dbraw/zinc/33/67/04/850336704.db2.gz YJLWDGSORMZHHI-UHFFFAOYSA-N -1 3 377.444 3.566 20 0 GHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000487091400 850442815 /nfs/dbraw/zinc/44/28/15/850442815.db2.gz YHVQSVHFBLIZAA-UHFFFAOYSA-N -1 3 380.354 3.757 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)C1 ZINC000908884049 850450951 /nfs/dbraw/zinc/45/09/51/850450951.db2.gz HLKWBGOMEWRPNS-LVCYWYKZSA-N -1 3 395.503 3.679 20 0 GHADHM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000908900818 850465763 /nfs/dbraw/zinc/46/57/63/850465763.db2.gz LURQHEHSHGUVPS-UGKGYDQZSA-N -1 3 387.524 3.561 20 0 GHADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000487111823 850465949 /nfs/dbraw/zinc/46/59/49/850465949.db2.gz CMIXFWTUCOIKON-GFCCVEGCSA-N -1 3 393.921 3.768 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000519034815 850523423 /nfs/dbraw/zinc/52/34/23/850523423.db2.gz FVWMALFWIIQLGP-UHFFFAOYSA-N -1 3 377.282 3.943 20 0 GHADHM CCSc1nnc([N-]C(=O)c2c(C)nc(-c3ccco3)nc2SC)s1 ZINC000514976227 850545107 /nfs/dbraw/zinc/54/51/07/850545107.db2.gz PPMFNWMLAWPHHN-UHFFFAOYSA-N -1 3 393.519 3.983 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3cc(Cl)c(OC(C)C)c(OC)c3)no2)[n-]1 ZINC000426527111 850552436 /nfs/dbraw/zinc/55/24/36/850552436.db2.gz VMXVEJWAOBKDLJ-UHFFFAOYSA-N -1 3 391.811 3.968 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccc1 ZINC000909067012 850558881 /nfs/dbraw/zinc/55/88/81/850558881.db2.gz GQRQBBFXEIOPSM-UWJYYQICSA-N -1 3 380.488 3.864 20 0 GHADHM C[C@](CC(=O)[O-])(NC(=O)c1cccc(CN2CCCCC2)c1)c1cccc(F)c1 ZINC000909680104 850693225 /nfs/dbraw/zinc/69/32/25/850693225.db2.gz FRTVUDFHUNJQBG-HSZRJFAPSA-N -1 3 398.478 3.932 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])[C@H]3C)cs2)cc1OC ZINC000515176904 850757816 /nfs/dbraw/zinc/75/78/16/850757816.db2.gz HIVRKJKPBRBYFT-IUODEOHRSA-N -1 3 376.478 3.512 20 0 GHADHM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000909835729 850816183 /nfs/dbraw/zinc/81/61/83/850816183.db2.gz UOPKTHDWTQEAGU-YJBOKZPZSA-N -1 3 384.451 3.865 20 0 GHADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000732279988 862173611 /nfs/dbraw/zinc/17/36/11/862173611.db2.gz VINXFWLMYRGZAR-KKSFZXQISA-N -1 3 377.444 3.575 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)n1 ZINC000487736426 850873447 /nfs/dbraw/zinc/87/34/47/850873447.db2.gz FZYAFHUNRTXPMM-CQSZACIVSA-N -1 3 390.472 3.987 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)c(C)o1 ZINC000434352262 851022419 /nfs/dbraw/zinc/02/24/19/851022419.db2.gz GAAXUVPQOQUGKK-INIZCTEOSA-N -1 3 398.912 3.667 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c(=O)[n-]1 ZINC000434365651 851037241 /nfs/dbraw/zinc/03/72/41/851037241.db2.gz YAMLYUZJEJJGET-JTQLQIEISA-N -1 3 380.275 3.794 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000426643215 851103750 /nfs/dbraw/zinc/10/37/50/851103750.db2.gz NJIDRMHBSZPIPF-FZKQIMNGSA-N -1 3 387.929 3.504 20 0 GHADHM O=C([O-])[C@H](CNCc1cc(Cl)ccc1OC(F)F)Oc1ccc(F)cc1 ZINC000426646693 851124257 /nfs/dbraw/zinc/12/42/57/851124257.db2.gz MPMSRSAOCZSUTM-HNNXBMFYSA-N -1 3 389.757 3.702 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(F)cc1F ZINC000440395197 851154911 /nfs/dbraw/zinc/15/49/11/851154911.db2.gz BYCKWFYFZITKDI-SJLPKXTDSA-N -1 3 385.407 3.611 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)c(C)c1 ZINC000515630292 851270327 /nfs/dbraw/zinc/27/03/27/851270327.db2.gz XBQSBQYBUNLXPJ-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM Cc1ccc(C(=O)NCc2ncccc2[O-])cc1NC(=O)Nc1ccccc1 ZINC000473631815 851312277 /nfs/dbraw/zinc/31/22/77/851312277.db2.gz ZUDPDCYGOLYLSD-UHFFFAOYSA-N -1 3 376.416 3.670 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 ZINC000436193909 851326554 /nfs/dbraw/zinc/32/65/54/851326554.db2.gz ZNYBLLIBUSVKST-AWEZNQCLSA-N -1 3 395.349 3.650 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)NCc3ncccc3[O-])c2C2CC2)cc1Cl ZINC000473637642 851330694 /nfs/dbraw/zinc/33/06/94/851330694.db2.gz CAIOQIJJSRPSFA-UHFFFAOYSA-N -1 3 382.851 3.742 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccnc3C)nc(=O)c2c1C ZINC000171418390 862232657 /nfs/dbraw/zinc/23/26/57/862232657.db2.gz OFNPZIOBHWTZPK-XFFZJAGNSA-N -1 3 375.837 3.520 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110785917 851440851 /nfs/dbraw/zinc/44/08/51/851440851.db2.gz VYWDIPRIDZMJPS-KBPBESRZSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110785917 851440864 /nfs/dbraw/zinc/44/08/64/851440864.db2.gz VYWDIPRIDZMJPS-KBPBESRZSA-N -1 3 388.258 3.593 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncc(C)s3)c2)cc1 ZINC000436384519 851540980 /nfs/dbraw/zinc/54/09/80/851540980.db2.gz GAEKOHXZOJUKTG-UHFFFAOYSA-N -1 3 389.502 3.873 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cncc([O-])c2)c(C)n1[C@@H](C)c1ccccc1 ZINC000732393627 862257717 /nfs/dbraw/zinc/25/77/17/862257717.db2.gz CMHAIOXHGYQTLL-HNNXBMFYSA-N -1 3 378.428 3.855 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)c(C)c2)CC1 ZINC000911097934 851570428 /nfs/dbraw/zinc/57/04/28/851570428.db2.gz BLFJGIHQGWNTTL-UHFFFAOYSA-N -1 3 399.535 3.501 20 0 GHADHM O=S(=O)([N-]CCc1cc(Br)ccc1F)c1ccc(Cl)s1 ZINC000049176462 851613717 /nfs/dbraw/zinc/61/37/17/851613717.db2.gz QMCMCURIXWCHOP-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCN3CC)o2)cc1 ZINC000911281093 851662125 /nfs/dbraw/zinc/66/21/25/851662125.db2.gz FBTSCTHBZPLJEF-IBGZPJMESA-N -1 3 398.503 3.910 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccccc2CCC(=O)[O-])N2CCCC2)cc1 ZINC000911295877 851671325 /nfs/dbraw/zinc/67/13/25/851671325.db2.gz KFGLPYZQDFKRJA-OAQYLSRUSA-N -1 3 380.488 3.579 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(CN2CCSCC2)ccc1C ZINC000488637141 851679172 /nfs/dbraw/zinc/67/91/72/851679172.db2.gz BYVVRFKKMATXNY-UHFFFAOYSA-N -1 3 390.574 3.907 20 0 GHADHM Cc1cc(C(=O)[O-])oc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000911362053 851698091 /nfs/dbraw/zinc/69/80/91/851698091.db2.gz HCXDYDCWFIWNOU-UHFFFAOYSA-N -1 3 390.867 3.678 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000911385216 851706011 /nfs/dbraw/zinc/70/60/11/851706011.db2.gz PTVUDJFTVSPLED-TXPKVOOTSA-N -1 3 398.528 3.645 20 0 GHADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cc(F)ccc3Cl)co2)cc1 ZINC000488699180 851712885 /nfs/dbraw/zinc/71/28/85/851712885.db2.gz LBLVMTGWGAKIEG-UHFFFAOYSA-N -1 3 394.855 3.964 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCN(c4cccc(F)c4)C[C@H]3C)nc2)n1 ZINC000488718375 851722461 /nfs/dbraw/zinc/72/24/61/851722461.db2.gz VWWLMAXTPBGGII-OAHLLOKOSA-N -1 3 393.466 3.661 20 0 GHADHM CC(C)c1ccc(NC(=S)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000044138090 851836913 /nfs/dbraw/zinc/83/69/13/851836913.db2.gz AARDJWODGKJJNC-UHFFFAOYSA-N -1 3 383.517 3.670 20 0 GHADHM O=C(CCCOc1ccccc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC000132849215 862293549 /nfs/dbraw/zinc/29/35/49/862293549.db2.gz RDPULDQYOAVXFU-UHFFFAOYSA-N -1 3 391.225 3.625 20 0 GHADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)nc2c1 ZINC000515906751 851915981 /nfs/dbraw/zinc/91/59/81/851915981.db2.gz HENSKXTXYXOBFE-UHFFFAOYSA-N -1 3 384.288 3.736 20 0 GHADHM CSc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436495625 851970462 /nfs/dbraw/zinc/97/04/62/851970462.db2.gz NZKAHBSLGDACRN-RHSMWYFYSA-N -1 3 384.501 3.596 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436554003 852041031 /nfs/dbraw/zinc/04/10/31/852041031.db2.gz FQMQVYOXTXAPHM-REWPJTCUSA-N -1 3 380.488 3.902 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c([O-])c1C ZINC000436555657 852043531 /nfs/dbraw/zinc/04/35/31/852043531.db2.gz LVJQHBZWWPKIPZ-UHFFFAOYSA-N -1 3 375.428 3.586 20 0 GHADHM Cc1ncsc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436556244 852045386 /nfs/dbraw/zinc/04/53/86/852045386.db2.gz NKHIAKCGZYREQW-KRWDZBQOSA-N -1 3 381.457 3.657 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436575583 852059715 /nfs/dbraw/zinc/05/97/15/852059715.db2.gz OEEBSRLFCHCEOC-HNNXBMFYSA-N -1 3 383.444 3.988 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436560048 852064197 /nfs/dbraw/zinc/06/41/97/852064197.db2.gz ZXSWIIMIMBQCDY-HBGVWJBISA-N -1 3 380.488 3.948 20 0 GHADHM Cc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)c([O-])c1 ZINC000436561761 852065247 /nfs/dbraw/zinc/06/52/47/852065247.db2.gz HRBIJMJFHJBKGD-GOSISDBHSA-N -1 3 396.487 3.577 20 0 GHADHM O=C(NCCCCCc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436563939 852066129 /nfs/dbraw/zinc/06/61/29/852066129.db2.gz IJHRMFIWZQWXIT-HXUWFJFHSA-N -1 3 380.488 3.526 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000436562272 852066289 /nfs/dbraw/zinc/06/62/89/852066289.db2.gz ABQTXOVWZDIBSP-UHFFFAOYSA-N -1 3 378.428 3.736 20 0 GHADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436592355 852079903 /nfs/dbraw/zinc/07/99/03/852079903.db2.gz ULLBGFZPFXMZKP-AWEZNQCLSA-N -1 3 379.460 3.896 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(Cc2ccco2)CC1 ZINC000436594222 852081823 /nfs/dbraw/zinc/08/18/23/852081823.db2.gz DRAQXPSMSBCTHE-UHFFFAOYSA-N -1 3 376.456 3.534 20 0 GHADHM CCc1nnc(-c2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2)o1 ZINC000436578237 852086667 /nfs/dbraw/zinc/08/66/67/852086667.db2.gz WQZWWXQBQSGCPR-UHFFFAOYSA-N -1 3 379.416 3.970 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCS[C@H]2COCC[C@@H]21 ZINC000436607031 852106770 /nfs/dbraw/zinc/10/67/70/852106770.db2.gz RYKADXYEVKMATL-FPOVZHCZSA-N -1 3 383.513 3.524 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])o1 ZINC000436637776 852131834 /nfs/dbraw/zinc/13/18/34/852131834.db2.gz CBZFOFOKDGCKKB-QAPCUYQASA-N -1 3 384.476 3.722 20 0 GHADHM C[C@H](CSc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436640477 852149813 /nfs/dbraw/zinc/14/98/13/852149813.db2.gz IFTWGHJBESLUSN-MRXNPFEDSA-N -1 3 398.528 3.541 20 0 GHADHM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c([O-])cccc3O)c2)c1 ZINC000436646102 852155792 /nfs/dbraw/zinc/15/57/92/852155792.db2.gz GAKLALRSDOALJO-UHFFFAOYSA-N -1 3 391.427 3.980 20 0 GHADHM C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCCCC2 ZINC000436663450 852160823 /nfs/dbraw/zinc/16/08/23/852160823.db2.gz LVZQUGQHYXPZAO-PKOBYXMFSA-N -1 3 384.520 3.816 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000436670428 852169827 /nfs/dbraw/zinc/16/98/27/852169827.db2.gz FOGMOMDBENDPEU-SFHVURJKSA-N -1 3 393.361 3.827 20 0 GHADHM COc1cc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc(OC)c1[O-] ZINC000436689814 852200045 /nfs/dbraw/zinc/20/00/45/852200045.db2.gz OSMIYZOFSAMMNY-UHFFFAOYSA-N -1 3 392.371 3.709 20 0 GHADHM COc1cc(Cl)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436695695 852208929 /nfs/dbraw/zinc/20/89/29/852208929.db2.gz GLRYWPVOOCQCBJ-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM C[C@H](c1ccccc1)n1cnnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436708158 852225302 /nfs/dbraw/zinc/22/53/02/852225302.db2.gz UMHJDAJWWQYBGE-CYBMUJFWSA-N -1 3 379.445 3.935 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1 ZINC000668957971 852240344 /nfs/dbraw/zinc/24/03/44/852240344.db2.gz QSFYRVZYLRBSTD-QGZVFWFLSA-N -1 3 381.457 3.745 20 0 GHADHM COc1ccc(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)c([O-])c1 ZINC000436718635 852243459 /nfs/dbraw/zinc/24/34/59/852243459.db2.gz XLFFEJGSLLOPIW-UHFFFAOYSA-N -1 3 393.842 3.715 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436719697 852244700 /nfs/dbraw/zinc/24/47/00/852244700.db2.gz IJKYGWRCBJSUJA-HKUYNNGSSA-N -1 3 392.499 3.666 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(COc2cccc(F)c2)c1 ZINC000473848617 852263852 /nfs/dbraw/zinc/26/38/52/852263852.db2.gz HIGDPPLAYMNXCG-LJQANCHMSA-N -1 3 381.407 3.654 20 0 GHADHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436734029 852273761 /nfs/dbraw/zinc/27/37/61/852273761.db2.gz JLNOKNFDIAMYHH-UHFFFAOYSA-N -1 3 376.403 3.895 20 0 GHADHM C[C@@H]1CCc2nc(CNC[C@H](Cc3ccccc3Cl)C(=O)[O-])sc2C1 ZINC000426701918 852285234 /nfs/dbraw/zinc/28/52/34/852285234.db2.gz BUIIGWIREPYYMZ-OCCSQVGLSA-N -1 3 378.925 3.954 20 0 GHADHM NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436755027 852298968 /nfs/dbraw/zinc/29/89/68/852298968.db2.gz KUMLSLWCSAMYCK-UHFFFAOYSA-N -1 3 388.467 3.501 20 0 GHADHM NC(=O)Nc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436755200 852299335 /nfs/dbraw/zinc/29/93/35/852299335.db2.gz MTOVFAXEZKDQEN-UHFFFAOYSA-N -1 3 377.400 3.605 20 0 GHADHM COc1ccc(-n2ccnc2SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000436773072 852305548 /nfs/dbraw/zinc/30/55/48/852305548.db2.gz HOLBNFHIDAZKFB-UHFFFAOYSA-N -1 3 380.429 3.929 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1nccn2ccnc12 ZINC000436774347 852308457 /nfs/dbraw/zinc/30/84/57/852308457.db2.gz AURINZDIVKRXBQ-UHFFFAOYSA-N -1 3 387.424 3.964 20 0 GHADHM CCCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436781897 852317600 /nfs/dbraw/zinc/31/76/00/852317600.db2.gz VTTHXCITTQQROA-UHFFFAOYSA-N -1 3 396.487 3.559 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436768046 852323354 /nfs/dbraw/zinc/32/33/54/852323354.db2.gz HOKYHSDRTIVZGC-KRWDZBQOSA-N -1 3 387.524 3.609 20 0 GHADHM CC(C)c1nnc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436770645 852329711 /nfs/dbraw/zinc/32/97/11/852329711.db2.gz PULLQGZELCZJNO-UHFFFAOYSA-N -1 3 381.501 3.930 20 0 GHADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436791628 852349079 /nfs/dbraw/zinc/34/90/79/852349079.db2.gz KZVXXRLKSROLTG-UHFFFAOYSA-N -1 3 394.471 3.658 20 0 GHADHM Cc1nc(C(=O)Nc2cc(F)ccc2[O-])nn1-c1c(Cl)cccc1Cl ZINC000436798232 852354607 /nfs/dbraw/zinc/35/46/07/852354607.db2.gz RNMJHDBICDDQPJ-UHFFFAOYSA-N -1 3 381.194 3.980 20 0 GHADHM CCNc1cnc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cn1 ZINC000436796602 852354997 /nfs/dbraw/zinc/35/49/97/852354997.db2.gz WOLKRCXKRQQVCD-UHFFFAOYSA-N -1 3 389.415 3.910 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Br ZINC000426753535 852360783 /nfs/dbraw/zinc/36/07/83/852360783.db2.gz IYNRFVSGPYZTQP-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)sc1Br ZINC000555979557 862349159 /nfs/dbraw/zinc/34/91/59/862349159.db2.gz ZGPIEUWMESKEQG-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])Cc1ccccc1 ZINC000436832300 852382154 /nfs/dbraw/zinc/38/21/54/852382154.db2.gz HPOMRYZPJUPVQW-TZIWHRDSSA-N -1 3 394.515 3.628 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436822136 852389946 /nfs/dbraw/zinc/38/99/46/852389946.db2.gz RWWACWOHAJPOFO-INIZCTEOSA-N -1 3 395.503 3.702 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OCC(F)(F)F ZINC000426804650 852416641 /nfs/dbraw/zinc/41/66/41/852416641.db2.gz VNPBQGTVAMFPOR-INIZCTEOSA-N -1 3 387.329 3.691 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])cc1F ZINC000426822312 852433268 /nfs/dbraw/zinc/43/32/68/852433268.db2.gz BCCYOYWSPDBCHE-MRXNPFEDSA-N -1 3 398.228 3.521 20 0 GHADHM COc1ccc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c([O-])c1 ZINC000436871647 852436703 /nfs/dbraw/zinc/43/67/03/852436703.db2.gz QZWATYJZXNZGKR-LLVKDONJSA-N -1 3 376.250 3.750 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(F)c1 ZINC000426824860 852437068 /nfs/dbraw/zinc/43/70/68/852437068.db2.gz JSDPSOKDOSQUQJ-HNNXBMFYSA-N -1 3 375.293 3.821 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC000517815488 852457539 /nfs/dbraw/zinc/45/75/39/852457539.db2.gz VBUWONUBHUMICZ-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC000517815488 852457545 /nfs/dbraw/zinc/45/75/45/852457545.db2.gz VBUWONUBHUMICZ-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(Br)cc2C)C(=O)[O-])cc1F ZINC000426835280 852467983 /nfs/dbraw/zinc/46/79/83/852467983.db2.gz QNNZJAOVOOASPE-MRXNPFEDSA-N -1 3 382.229 3.821 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000436905682 852471492 /nfs/dbraw/zinc/47/14/92/852471492.db2.gz UCYNHCDJWSIDRS-ACJLOTCBSA-N -1 3 395.377 3.960 20 0 GHADHM CNC(=O)CCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436896401 852482756 /nfs/dbraw/zinc/48/27/56/852482756.db2.gz MLNIKTDJDHFHAN-UHFFFAOYSA-N -1 3 383.473 3.914 20 0 GHADHM COC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])[C@@H](C)C2)cc1 ZINC000436902071 852487772 /nfs/dbraw/zinc/48/77/72/852487772.db2.gz IUFBWQJFDJFKPL-INIZCTEOSA-N -1 3 396.487 3.653 20 0 GHADHM O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)C(=O)c1ccc([O-])cc1 ZINC000436918035 852497774 /nfs/dbraw/zinc/49/77/74/852497774.db2.gz ZXNUEBOUVMLBAV-UHFFFAOYSA-N -1 3 375.359 3.896 20 0 GHADHM CC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCC1 ZINC000436924070 852505129 /nfs/dbraw/zinc/50/51/29/852505129.db2.gz FAEINFJCLWIEFB-FQEVSTJZSA-N -1 3 380.488 3.950 20 0 GHADHM O=C(NCc1ccc2sccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436925086 852506375 /nfs/dbraw/zinc/50/63/75/852506375.db2.gz FJRUWJGHKRWFAO-KRWDZBQOSA-N -1 3 380.469 3.528 20 0 GHADHM CC1(C)CCCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000438507919 852507317 /nfs/dbraw/zinc/50/73/17/852507317.db2.gz LHUMAWJKDJJVRR-UHFFFAOYSA-N -1 3 393.484 3.607 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000133019044 862364705 /nfs/dbraw/zinc/36/47/05/862364705.db2.gz VLUXUOVKZHOINT-FQEVSTJZSA-N -1 3 392.430 3.709 20 0 GHADHM CC(C)C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436966729 852538070 /nfs/dbraw/zinc/53/80/70/852538070.db2.gz MVFOSLAJPKTXFX-FQEVSTJZSA-N -1 3 380.488 3.507 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000436969345 852540010 /nfs/dbraw/zinc/54/00/10/852540010.db2.gz ZLTKEAPEERCKAI-YUNKPMOVSA-N -1 3 391.427 3.604 20 0 GHADHM CCSCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436950467 852540898 /nfs/dbraw/zinc/54/08/98/852540898.db2.gz ZCQZQXVZLXMNJT-UHFFFAOYSA-N -1 3 398.528 3.680 20 0 GHADHM Cc1sc(NC(=O)c2c([O-])cccc2O)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000436951427 852541513 /nfs/dbraw/zinc/54/15/13/852541513.db2.gz RXAJEFRHIRBRKK-UHFFFAOYSA-N -1 3 395.440 3.667 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(C)c2)c1 ZINC000436952721 852543471 /nfs/dbraw/zinc/54/34/71/852543471.db2.gz XYOPQMVKCCGFTC-UHFFFAOYSA-N -1 3 379.416 3.522 20 0 GHADHM O=C(Nc1ccsc1Cl)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000438561331 852557782 /nfs/dbraw/zinc/55/77/82/852557782.db2.gz JTSOTONQTPEZNU-UHFFFAOYSA-N -1 3 399.856 3.922 20 0 GHADHM COc1cccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1[O-] ZINC000436981362 852567935 /nfs/dbraw/zinc/56/79/35/852567935.db2.gz RAWQMJJSKIHCBK-UHFFFAOYSA-N -1 3 388.427 3.641 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2cccc(F)c2o1 ZINC000436984267 852571764 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0 GHADHM COc1cc(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)cc(OC)c1[O-] ZINC000490209125 852814455 /nfs/dbraw/zinc/81/44/55/852814455.db2.gz HAARDSBJESJWAJ-JTQLQIEISA-N -1 3 385.338 3.799 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000519602015 852838271 /nfs/dbraw/zinc/83/82/71/852838271.db2.gz BUCBTNQCGMERJJ-UHFFFAOYSA-N -1 3 383.492 3.799 20 0 GHADHM O=C([N-]c1csc2ccccc12)c1sccc1S(=O)(=O)N1CCCC1 ZINC000490215921 852850520 /nfs/dbraw/zinc/85/05/20/852850520.db2.gz IRIFJTCXQRAGIZ-UHFFFAOYSA-N -1 3 392.527 4.000 20 0 GHADHM CC[C@H](Cc1ccccc1Br)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473856915 852885306 /nfs/dbraw/zinc/88/53/06/852885306.db2.gz MPZWHBZGEFCNPA-MLGOLLRUSA-N -1 3 392.297 3.653 20 0 GHADHM O=C([N-][C@@H](c1ccccn1)C1CCC1)C(F)(F)c1ncccc1Br ZINC000913000848 852962416 /nfs/dbraw/zinc/96/24/16/852962416.db2.gz XKJFFVZKWSBLDG-CQSZACIVSA-N -1 3 396.235 3.989 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n(-c2ccncc2)n1 ZINC000437323621 852999787 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GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000913302032 853217673 /nfs/dbraw/zinc/21/76/73/853217673.db2.gz LNUFVIBXIHGFAP-KGLIPLIRSA-N -1 3 379.416 3.583 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000913302032 853217678 /nfs/dbraw/zinc/21/76/78/853217678.db2.gz LNUFVIBXIHGFAP-KGLIPLIRSA-N -1 3 379.416 3.583 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000913296073 853219903 /nfs/dbraw/zinc/21/99/03/853219903.db2.gz KDIYGIONZDHORB-QMMMGPOBSA-N -1 3 395.202 3.556 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000913296073 853219909 /nfs/dbraw/zinc/21/99/09/853219909.db2.gz KDIYGIONZDHORB-QMMMGPOBSA-N -1 3 395.202 3.556 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1cc2ccccc2o1 ZINC000913302323 853224920 /nfs/dbraw/zinc/22/49/20/853224920.db2.gz VPEJEQWZOLXESO-OLZOCXBDSA-N -1 3 393.399 3.839 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1cc2ccccc2o1 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GZCTWPOSVLHZTP-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3F)cc21 ZINC000604737364 862455186 /nfs/dbraw/zinc/45/51/86/862455186.db2.gz GZYOYSDLOIOPIH-UHFFFAOYSA-N -1 3 396.443 3.579 20 0 GHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000517156294 853462387 /nfs/dbraw/zinc/46/23/87/853462387.db2.gz JJGUVOQHTRNVHB-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000519753050 853463474 /nfs/dbraw/zinc/46/34/74/853463474.db2.gz WAJBPXVJEUFOPM-HZPDHXFCSA-N -1 3 390.277 3.591 20 0 GHADHM COc1ccc(N[C@H]2CCCc3nc(Cl)ccc32)cc1[N-]S(C)(=O)=O ZINC000296235036 853486686 /nfs/dbraw/zinc/48/66/86/853486686.db2.gz APCKGDMVPQJIIS-ZDUSSCGKSA-N -1 3 381.885 3.605 20 0 GHADHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000519826717 853516470 /nfs/dbraw/zinc/51/64/70/853516470.db2.gz MJORKHBJBZNXJY-QMTHXVAHSA-N -1 3 381.295 3.868 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1coc2ccc(C(C)C)cc12 ZINC000518607861 853543935 /nfs/dbraw/zinc/54/39/35/853543935.db2.gz RMVDLSNYPZETNC-UHFFFAOYSA-N -1 3 384.388 3.710 20 0 GHADHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000440758908 853577645 /nfs/dbraw/zinc/57/76/45/853577645.db2.gz WSIRMHYJDFZXDB-LJQANCHMSA-N -1 3 397.450 3.830 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCCCCc4ccccc43)nc(=O)c2c1C ZINC000440750349 853591092 /nfs/dbraw/zinc/59/10/92/853591092.db2.gz DEWNAHRPVKZLBN-UHFFFAOYSA-N -1 3 397.500 3.813 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cn(-c2ccccc2Cl)nn1 ZINC000519912740 853603866 /nfs/dbraw/zinc/60/38/66/853603866.db2.gz BNJXHDYVFOUWKJ-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Cc1cc(C)cc(NC(=S)N[N-]C(=O)c2ccc(F)cc2Br)c1 ZINC000054960008 853616202 /nfs/dbraw/zinc/61/62/02/853616202.db2.gz PXORITQOHMWOLY-UHFFFAOYSA-N -1 3 396.285 3.836 20 0 GHADHM O=S(=O)([N-]CCCc1nc(-c2ccncc2)cs1)c1ccc(Cl)s1 ZINC000057874225 853620568 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GHADHM O=C(CCSc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000050603297 854286162 /nfs/dbraw/zinc/28/61/62/854286162.db2.gz UCHNBNCLAHQQOY-UHFFFAOYSA-N -1 3 395.204 3.707 20 0 GHADHM O=C(CCSc1ccc(Br)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000050603297 854286166 /nfs/dbraw/zinc/28/61/66/854286166.db2.gz UCHNBNCLAHQQOY-UHFFFAOYSA-N -1 3 395.204 3.707 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H]1CCC[C@H](C)C1 ZINC000113200453 854445584 /nfs/dbraw/zinc/44/55/84/854445584.db2.gz HITYFOLEAMNRIA-OHOGDBNVSA-N -1 3 381.520 3.921 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)cc1 ZINC000110094941 854542029 /nfs/dbraw/zinc/54/20/29/854542029.db2.gz FLRAPGDLMJNIFZ-UHFFFAOYSA-N -1 3 399.472 3.889 20 0 GHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1Cl ZINC000588857408 854553609 /nfs/dbraw/zinc/55/36/09/854553609.db2.gz ZBSPQBTXIQVCRE-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)oc21 ZINC000068579470 854600348 /nfs/dbraw/zinc/60/03/48/854600348.db2.gz CVXRIFXZLSYTIU-LLVKDONJSA-N -1 3 393.399 3.598 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(Br)c3)nc2)n1 ZINC000068694023 854611060 /nfs/dbraw/zinc/61/10/60/854611060.db2.gz MRJMIRFEUPCXHD-UHFFFAOYSA-N -1 3 385.265 3.769 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000330625794 854712328 /nfs/dbraw/zinc/71/23/28/854712328.db2.gz ICANLSLZLCSHFW-DGCLKSJQSA-N -1 3 385.835 3.841 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H]1C1CC1)c1cc(F)ccc1Br ZINC001212158298 854851426 /nfs/dbraw/zinc/85/14/26/854851426.db2.gz PCRAOXDJWWCXOR-YPMHNXCESA-N -1 3 376.291 3.693 20 0 GHADHM Cc1ccc(-n2cc(C(=O)[N-]c3nnc(-c4ccc(C)cc4C)s3)nn2)cc1 ZINC000520450650 854872520 /nfs/dbraw/zinc/87/25/20/854872520.db2.gz WTAQOEOLPHLLDM-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccc(F)cc32)c(F)cc1F ZINC001212390701 854914144 /nfs/dbraw/zinc/91/41/44/854914144.db2.gz XWYVHBWPUTVWMO-HNNXBMFYSA-N -1 3 385.407 3.993 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000572648552 854917262 /nfs/dbraw/zinc/91/72/62/854917262.db2.gz IMORAUMUOHTMGX-OAHLLOKOSA-N -1 3 376.460 3.850 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c([O-])c1 ZINC000536337137 854942716 /nfs/dbraw/zinc/94/27/16/854942716.db2.gz FLQIMVMDNCWLRO-UHFFFAOYSA-N -1 3 381.428 3.659 20 0 GHADHM COc1cc(F)c([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC000114501431 854977187 /nfs/dbraw/zinc/97/71/87/854977187.db2.gz GFIVSZXBIPKXRY-NSHDSACASA-N -1 3 397.406 3.676 20 0 GHADHM COc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cc2)c1 ZINC000589689927 855108903 /nfs/dbraw/zinc/10/89/03/855108903.db2.gz WQOFLANVKNSQJD-UHFFFAOYSA-N -1 3 392.411 3.562 20 0 GHADHM COC(=O)CCSc1ncccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000589844955 855161474 /nfs/dbraw/zinc/16/14/74/855161474.db2.gz DTXWARLYAKKFDV-UHFFFAOYSA-N -1 3 392.452 3.543 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1cc(Br)ccc1Cl ZINC000589887808 855176627 /nfs/dbraw/zinc/17/66/27/855176627.db2.gz KCWLLNAMAIUQNP-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000055008271 855248696 /nfs/dbraw/zinc/24/86/96/855248696.db2.gz RJMYCXGEFVTQCU-HMMYKYKNSA-N -1 3 391.471 3.672 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c([O-])c1 ZINC000190243079 855303331 /nfs/dbraw/zinc/30/33/31/855303331.db2.gz RLPQOIOYPSFQOQ-MRXNPFEDSA-N -1 3 390.524 3.584 20 0 GHADHM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000536394161 855341086 /nfs/dbraw/zinc/34/10/86/855341086.db2.gz GAUTTZIPSICLJQ-UHFFFAOYSA-N -1 3 384.505 3.919 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000055643765 855366712 /nfs/dbraw/zinc/36/67/12/855366712.db2.gz NIIUNNSNDMXNOF-UHFFFAOYSA-N -1 3 389.395 3.840 20 0 GHADHM Cc1c(C(=O)Nc2cc(I)ccc2[O-])ccn1C(C)C ZINC000590316362 855372474 /nfs/dbraw/zinc/37/24/74/855372474.db2.gz OYDYFFBYZNARKX-UHFFFAOYSA-N -1 3 384.217 3.940 20 0 GHADHM Cc1nc(C(C)C)oc1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316324 855372697 /nfs/dbraw/zinc/37/26/97/855372697.db2.gz MMECPGCSSDIBPU-UHFFFAOYSA-N -1 3 386.189 3.669 20 0 GHADHM CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2)c1C ZINC000590402638 855391663 /nfs/dbraw/zinc/39/16/63/855391663.db2.gz BWUTZGVAQMEVGQ-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C[C@H]1C ZINC000132188486 855398312 /nfs/dbraw/zinc/39/83/12/855398312.db2.gz QMMMXVCWTJLCGH-LSDHHAIUSA-N -1 3 390.480 3.745 20 0 GHADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1c(Cl)cccc1Cl ZINC000056064554 855464356 /nfs/dbraw/zinc/46/43/56/855464356.db2.gz KZZPWWVCXQFCGN-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC001128099613 855535538 /nfs/dbraw/zinc/53/55/38/855535538.db2.gz FOGOTNDIUPKCRC-CYBMUJFWSA-N -1 3 386.448 3.844 20 0 GHADHM O=C(Nc1cccc2ccccc21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000029009087 855556254 /nfs/dbraw/zinc/55/62/54/855556254.db2.gz OSDUXCJNOSRNNU-UHFFFAOYSA-N -1 3 384.432 3.672 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000550419592 855568214 /nfs/dbraw/zinc/56/82/14/855568214.db2.gz KLIRUIBDRJYYKA-UHFFFAOYSA-N -1 3 377.448 3.716 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000550419592 855568217 /nfs/dbraw/zinc/56/82/17/855568217.db2.gz KLIRUIBDRJYYKA-UHFFFAOYSA-N -1 3 377.448 3.716 20 0 GHADHM C[C@@]1(c2ccccc2)CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482078349 862695797 /nfs/dbraw/zinc/69/57/97/862695797.db2.gz GLKLAJHFIODVMY-LJQANCHMSA-N -1 3 399.292 3.714 20 0 GHADHM COc1ccc(COCc2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)cc1 ZINC000573023836 855692408 /nfs/dbraw/zinc/69/24/08/855692408.db2.gz DXIMPOVZFGGYKB-UHFFFAOYSA-N -1 3 391.786 3.840 20 0 GHADHM CCSc1cc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)ccn1 ZINC000053060903 855694378 /nfs/dbraw/zinc/69/43/78/855694378.db2.gz PUSAUPXTLALKCH-UHFFFAOYSA-N -1 3 380.473 3.759 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417637124 855771715 /nfs/dbraw/zinc/77/17/15/855771715.db2.gz YSCGIFYQNJFCGX-CQSZACIVSA-N -1 3 383.414 3.913 20 0 GHADHM C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[n-]1)c1ccc(F)cc1[O-] ZINC000186101019 862725763 /nfs/dbraw/zinc/72/57/63/862725763.db2.gz GSMQIMKQPJGQAF-JTQLQIEISA-N -1 3 391.244 3.930 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCC(F)(F)F)c1ccc(Cl)cc1F ZINC000614637714 855931924 /nfs/dbraw/zinc/93/19/24/855931924.db2.gz MTSZCRLDCVNLGB-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM O=C([N-]c1sc2c(c1C(=O)c1cccnc1)CCC2)c1ncc(F)cc1F ZINC000190710742 855951980 /nfs/dbraw/zinc/95/19/80/855951980.db2.gz IIDDYCJQHZJREC-UHFFFAOYSA-N -1 3 385.395 3.788 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1 ZINC000108639432 855965193 /nfs/dbraw/zinc/96/51/93/855965193.db2.gz GRVNXDCLDSCBAL-UHFFFAOYSA-N -1 3 389.502 3.522 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000591441520 855989270 /nfs/dbraw/zinc/98/92/70/855989270.db2.gz IJLRVAKEFAVTLW-UHFFFAOYSA-N -1 3 378.709 3.972 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1ccc(Cl)s1 ZINC000057705029 856001600 /nfs/dbraw/zinc/00/16/00/856001600.db2.gz HXJBCZKCJBJJBW-NSHDSACASA-N -1 3 376.956 3.578 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)s1 ZINC000482152998 862747360 /nfs/dbraw/zinc/74/73/60/862747360.db2.gz MHHNLUAWXTXQTP-UHFFFAOYSA-N -1 3 388.474 3.841 20 0 GHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2ccc(F)cc2Br)C1 ZINC000573259398 856029317 /nfs/dbraw/zinc/02/93/17/856029317.db2.gz VXTNECJHWLHNHZ-GOSISDBHSA-N -1 3 378.241 3.817 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389706 856044250 /nfs/dbraw/zinc/04/42/50/856044250.db2.gz RHDNHZJWCZFHGN-UHFFFAOYSA-N -1 3 385.733 3.703 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389706 856044254 /nfs/dbraw/zinc/04/42/54/856044254.db2.gz RHDNHZJWCZFHGN-UHFFFAOYSA-N -1 3 385.733 3.703 20 0 GHADHM CC(C)(C)c1noc(CCCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)n1 ZINC000485096492 856103457 /nfs/dbraw/zinc/10/34/57/856103457.db2.gz WEIJPRAJMOQRIE-UHFFFAOYSA-N -1 3 394.435 3.860 20 0 GHADHM COc1cccc(CO[C@@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485109811 856122625 /nfs/dbraw/zinc/12/26/25/856122625.db2.gz UAFNRJJQZUBOCN-ZDUSSCGKSA-N -1 3 392.415 3.770 20 0 GHADHM O=C(CCC(=O)c1ccc(Cl)cn1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485125769 856125168 /nfs/dbraw/zinc/12/51/68/856125168.db2.gz FBAKEQHELLDXEL-UHFFFAOYSA-N -1 3 395.806 3.868 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c(=O)[n-]1 ZINC000280840832 856127117 /nfs/dbraw/zinc/12/71/17/856127117.db2.gz VHISELKYGHVUBC-KOMQPUFPSA-N -1 3 393.409 3.813 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cncn1-c1ccc(F)cc1 ZINC000485137302 856148493 /nfs/dbraw/zinc/14/84/93/856148493.db2.gz WFYSHIPCBLUIBL-UHFFFAOYSA-N -1 3 388.362 3.795 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cncn1-c1ccc(F)cc1 ZINC000485137302 856148496 /nfs/dbraw/zinc/14/84/96/856148496.db2.gz WFYSHIPCBLUIBL-UHFFFAOYSA-N -1 3 388.362 3.795 20 0 GHADHM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000303810940 856167374 /nfs/dbraw/zinc/16/73/74/856167374.db2.gz NMZMXSOGTBZRAR-KZULUSFZSA-N -1 3 392.858 3.646 20 0 GHADHM Cc1cc(Br)c(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000618645404 856195731 /nfs/dbraw/zinc/19/57/31/856195731.db2.gz WHAFUTCCICZYED-UHFFFAOYSA-N -1 3 398.326 3.851 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000485180495 856199193 /nfs/dbraw/zinc/19/91/93/856199193.db2.gz DPBNLUIVKIRFSS-NSHDSACASA-N -1 3 381.245 3.897 20 0 GHADHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000591804980 856287050 /nfs/dbraw/zinc/28/70/50/856287050.db2.gz SXLFIDZLRPAKAB-CYBMUJFWSA-N -1 3 395.352 3.603 20 0 GHADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000485274934 856289012 /nfs/dbraw/zinc/28/90/12/856289012.db2.gz SCOLOCFQGZIPAN-UHFFFAOYSA-N -1 3 385.445 3.809 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)ccc1OCC(C)C ZINC000436762996 856307214 /nfs/dbraw/zinc/30/72/14/856307214.db2.gz VNFRFMJWJPPTHP-CYBMUJFWSA-N -1 3 387.432 3.655 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)ccc1OCC(C)C ZINC000436762998 856307254 /nfs/dbraw/zinc/30/72/54/856307254.db2.gz VNFRFMJWJPPTHP-ZDUSSCGKSA-N -1 3 387.432 3.655 20 0 GHADHM O=C(CSc1nc2ccccc2[nH]1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485108792 856336768 /nfs/dbraw/zinc/33/67/68/856336768.db2.gz VRCHGKHNNALCPJ-UHFFFAOYSA-N -1 3 390.428 3.825 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)c(F)cc2N1 ZINC000485392696 856434243 /nfs/dbraw/zinc/43/42/43/856434243.db2.gz HMWGJYOMOOQDCW-UHFFFAOYSA-N -1 3 389.235 3.818 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc4ccccc4cc3Cl)nc21 ZINC000573736298 856461204 /nfs/dbraw/zinc/46/12/04/856461204.db2.gz RSKSNJYCLPSQEN-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436819323 856462080 /nfs/dbraw/zinc/46/20/80/856462080.db2.gz XYELJXWGLLIESE-UHFFFAOYSA-N -1 3 398.640 3.809 20 0 GHADHM COc1cccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000195564099 856470900 /nfs/dbraw/zinc/47/09/00/856470900.db2.gz PQHAAKSAFAOYFG-HUUCEWRRSA-N -1 3 382.460 3.771 20 0 GHADHM COc1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1OCC(C)C ZINC000905750842 856505503 /nfs/dbraw/zinc/50/55/03/856505503.db2.gz SJOYBLLWFLHVFK-HNNXBMFYSA-N -1 3 390.505 3.874 20 0 GHADHM CCCOc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC ZINC000905751328 856507187 /nfs/dbraw/zinc/50/71/87/856507187.db2.gz VNSGGLZNBYADRE-CQSZACIVSA-N -1 3 376.478 3.628 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)c(=O)[n-]1 ZINC000281030795 862812593 /nfs/dbraw/zinc/81/25/93/862812593.db2.gz CBJSNNFGKRNTHJ-IBGZPJMESA-N -1 3 393.409 3.594 20 0 GHADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1coc2c1C(=O)NCCC2 ZINC000905845666 856655519 /nfs/dbraw/zinc/65/55/19/856655519.db2.gz IBHNYZMUCKNBIM-UHFFFAOYSA-N -1 3 384.379 3.862 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccco1 ZINC000427805987 856748133 /nfs/dbraw/zinc/74/81/33/856748133.db2.gz QPTXUSTVGXDKRL-LJQANCHMSA-N -1 3 375.421 3.804 20 0 GHADHM O=C(Nc1cncc(Cl)c1Br)c1c[n-]c2ccccc2c1=O ZINC001128819709 856780627 /nfs/dbraw/zinc/78/06/27/856780627.db2.gz JSAWIVVUGJMWAO-UHFFFAOYSA-N -1 3 378.613 3.591 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1(c2ccc(F)cc2)CC1 ZINC000485602736 856804517 /nfs/dbraw/zinc/80/45/17/856804517.db2.gz VJKWZQFTUIQCSQ-UHFFFAOYSA-N -1 3 379.229 3.782 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1cc(Br)ccc1F ZINC000508018686 856818653 /nfs/dbraw/zinc/81/86/53/856818653.db2.gz XIAQIHLSAHUKJZ-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM O=c1cc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)nc(C2CC2)[n-]1 ZINC000906108667 856835393 /nfs/dbraw/zinc/83/53/93/856835393.db2.gz AQIPAFPGCXYMKE-UHFFFAOYSA-N -1 3 399.248 3.952 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ncc2c(F)cccn21 ZINC001128892869 856927076 /nfs/dbraw/zinc/92/70/76/856927076.db2.gz BWMGVNRGODBPAS-UHFFFAOYSA-N -1 3 394.362 3.557 20 0 GHADHM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1ccc([O-])c(F)c1 ZINC000427958287 856929929 /nfs/dbraw/zinc/92/99/29/856929929.db2.gz NBKRKPFMYSCNEC-UHFFFAOYSA-N -1 3 390.418 3.893 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2SCCc3sccc32)c(C(=O)OCC)[n-]1 ZINC000485695834 856966992 /nfs/dbraw/zinc/96/69/92/856966992.db2.gz PFNJBJZZQDVWOD-OAHLLOKOSA-N -1 3 393.534 3.960 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2SCCc3sccc32)c(C(=O)OCC)[n-]1 ZINC000485695833 856967070 /nfs/dbraw/zinc/96/70/70/856967070.db2.gz PFNJBJZZQDVWOD-HNNXBMFYSA-N -1 3 393.534 3.960 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000428038969 857027389 /nfs/dbraw/zinc/02/73/89/857027389.db2.gz PPGCCWSGAUGRAP-UHFFFAOYSA-N -1 3 386.408 3.791 20 0 GHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000056875085 857123236 /nfs/dbraw/zinc/12/32/36/857123236.db2.gz MAYUOXQDGFARNI-UHFFFAOYSA-N -1 3 387.436 3.621 20 0 GHADHM CCCOc1cccnc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000428184915 857166949 /nfs/dbraw/zinc/16/69/49/857166949.db2.gz NSHOZSUAUQCFEG-UHFFFAOYSA-N -1 3 378.432 3.848 20 0 GHADHM O=S1(=O)[N-]C(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)=Nc2ccccc21 ZINC000485879485 857180971 /nfs/dbraw/zinc/18/09/71/857180971.db2.gz FMYRLRANAQQBAX-NSHGMRRFSA-N -1 3 395.528 3.667 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000506624117 857221167 /nfs/dbraw/zinc/22/11/67/857221167.db2.gz JKCZCQAPJRRWES-INIZCTEOSA-N -1 3 376.456 3.837 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2)n1 ZINC000428223200 857223625 /nfs/dbraw/zinc/22/36/25/857223625.db2.gz VNCAQUXCMQCVSC-UHFFFAOYSA-N -1 3 387.848 3.948 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000499531458 857227120 /nfs/dbraw/zinc/22/71/20/857227120.db2.gz SZJPJCBOZXPNQE-UHFFFAOYSA-N -1 3 379.863 3.963 20 0 GHADHM CSc1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000509244742 857261574 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CC(=O)Nc1ccc([O-])c(C(=O)NCCCOc2ccc(Cl)cc2Cl)c1 ZINC000060187314 857414194 /nfs/dbraw/zinc/41/41/94/857414194.db2.gz IFZNOOIKTWIAKO-UHFFFAOYSA-N -1 3 397.258 3.856 20 0 GHADHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906985148 857416132 /nfs/dbraw/zinc/41/61/32/857416132.db2.gz GQQOBOAENAZLNG-ZDUSSCGKSA-N -1 3 391.497 3.509 20 0 GHADHM O=C(CC1(O)CCOCC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000907093477 857462354 /nfs/dbraw/zinc/46/23/54/857462354.db2.gz WDDFXCGCEPDSEU-UHFFFAOYSA-N -1 3 384.457 3.539 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000108205897 857492095 /nfs/dbraw/zinc/49/20/95/857492095.db2.gz WKNWLLPVYRHPMK-UHFFFAOYSA-N -1 3 381.453 3.927 20 0 GHADHM COc1ccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c([O-])c1 ZINC000061634131 857535252 /nfs/dbraw/zinc/53/52/52/857535252.db2.gz OPWOOJMFZCNJSV-UHFFFAOYSA-N -1 3 387.439 3.729 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000675672106 857556262 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CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001129201573 857811464 /nfs/dbraw/zinc/81/14/64/857811464.db2.gz QROXCKUHNDNRCJ-HXUWFJFHSA-N -1 3 398.544 3.943 20 0 GHADHM [O-]c1c(F)cc(F)cc1Nc1cnc(Br)c(Br)n1 ZINC001212484082 857835978 /nfs/dbraw/zinc/83/59/78/857835978.db2.gz JEDHZAASILSTCN-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM Cc1ccc(CCC2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1 ZINC000065775587 857847925 /nfs/dbraw/zinc/84/79/25/857847925.db2.gz OMNTXMKJRBPESC-UHFFFAOYSA-N -1 3 391.471 3.755 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000907964326 857864818 /nfs/dbraw/zinc/86/48/18/857864818.db2.gz RUWNQQAJJHZPOG-UHFFFAOYSA-N -1 3 375.831 3.814 20 0 GHADHM CC(C)n1cc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)nn1 ZINC000574482838 857877956 /nfs/dbraw/zinc/87/79/56/857877956.db2.gz WOXZYOKRIAPXGU-UHFFFAOYSA-N -1 3 394.913 3.909 20 0 GHADHM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cnc(C2CC2)[n-]c1=O ZINC000908026728 857891895 /nfs/dbraw/zinc/89/18/95/857891895.db2.gz SENODKIXGJZDEQ-UHFFFAOYSA-N -1 3 385.317 3.782 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2occc2COc2ccccc2)n[nH]1 ZINC000508395257 857900051 /nfs/dbraw/zinc/90/00/51/857900051.db2.gz BDPGUPACPIJGIS-UHFFFAOYSA-N -1 3 390.399 3.905 20 0 GHADHM CCCN(C(=O)c1cc(C(=O)[O-])oc1C)C1CCN(Cc2ccccc2)CC1 ZINC000908091304 857913832 /nfs/dbraw/zinc/91/38/32/857913832.db2.gz LSVPIIYNUPYYGL-UHFFFAOYSA-N -1 3 384.476 3.803 20 0 GHADHM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000908092285 857914100 /nfs/dbraw/zinc/91/41/00/857914100.db2.gz VBPZONOMAYZFBT-UHFFFAOYSA-N -1 3 380.488 3.902 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(OCC(F)F)cc1 ZINC000181673886 862968143 /nfs/dbraw/zinc/96/81/43/862968143.db2.gz HELICCUFBWZFBG-UHFFFAOYSA-N -1 3 379.388 3.521 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000521464069 858019545 /nfs/dbraw/zinc/01/95/45/858019545.db2.gz WRMFIQMFQYMLER-UHFFFAOYSA-N -1 3 377.448 3.784 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000521464069 858019553 /nfs/dbraw/zinc/01/95/53/858019553.db2.gz WRMFIQMFQYMLER-UHFFFAOYSA-N -1 3 377.448 3.784 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCC2(F)CCC2)CC1 ZINC000574546174 858054487 /nfs/dbraw/zinc/05/44/87/858054487.db2.gz JUVAWNHXDGJZIH-UHFFFAOYSA-N -1 3 397.878 3.688 20 0 GHADHM O=C(COC(=O)CCCOc1cccc2ccccc21)[N-]C(=O)c1cccs1 ZINC000046558093 858073751 /nfs/dbraw/zinc/07/37/51/858073751.db2.gz WCQAABMBRWSDQA-UHFFFAOYSA-N -1 3 397.452 3.560 20 0 GHADHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442753073 858111473 /nfs/dbraw/zinc/11/14/73/858111473.db2.gz NWXQTLMNXRSOEY-UHFFFAOYSA-N -1 3 388.411 3.581 20 0 GHADHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(Br)c1[O-] ZINC000521610237 858172020 /nfs/dbraw/zinc/17/20/20/858172020.db2.gz JUAKXOMISUZYHA-QGZVFWFLSA-N -1 3 389.293 3.722 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cs1 ZINC000066606570 858207392 /nfs/dbraw/zinc/20/73/92/858207392.db2.gz GLQVQQBSBSKBHS-UHFFFAOYSA-N -1 3 387.486 3.742 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(SC)ccc2Cl)CCCC1 ZINC000594699560 858272757 /nfs/dbraw/zinc/27/27/57/858272757.db2.gz JRVRNYYIQDMRJG-UHFFFAOYSA-N -1 3 377.915 3.537 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1cc(C)oc1C ZINC000443038406 858324814 /nfs/dbraw/zinc/32/48/14/858324814.db2.gz QDNJHCWWSDLCDU-NSHDSACASA-N -1 3 393.486 3.937 20 0 GHADHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(F)cccc1F ZINC000158092249 858327581 /nfs/dbraw/zinc/32/75/81/858327581.db2.gz CJOZOCNMPQHQIX-AWEZNQCLSA-N -1 3 380.822 3.718 20 0 GHADHM O=S(=O)(Cc1ccccc1OC(F)F)c1nc(CCC2CCCC2)n[n-]1 ZINC000595031355 858374314 /nfs/dbraw/zinc/37/43/14/858374314.db2.gz LTFMVCOXSNONHS-UHFFFAOYSA-N -1 3 385.436 3.503 20 0 GHADHM O=S(=O)(Cc1ccccc1OC(F)F)c1nnc(CCC2CCCC2)[n-]1 ZINC000595031355 858374319 /nfs/dbraw/zinc/37/43/19/858374319.db2.gz LTFMVCOXSNONHS-UHFFFAOYSA-N -1 3 385.436 3.503 20 0 GHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)no1 ZINC000443152654 858427446 /nfs/dbraw/zinc/42/74/46/858427446.db2.gz DKVJIAOXBVRMOT-UHFFFAOYSA-N -1 3 397.806 3.518 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2sc(-c3ccccc3)nc2C)c1 ZINC000067181067 858471796 /nfs/dbraw/zinc/47/17/96/858471796.db2.gz FMOJFWFLKUAIJY-UHFFFAOYSA-N -1 3 381.457 3.713 20 0 GHADHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443310768 858552533 /nfs/dbraw/zinc/55/25/33/858552533.db2.gz PUPKQXOADYEEMU-SMDDNHRTSA-N -1 3 388.942 3.539 20 0 GHADHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000443310515 858552549 /nfs/dbraw/zinc/55/25/49/858552549.db2.gz JQOCPPKZXAEBEZ-LLVKDONJSA-N -1 3 387.851 3.682 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000729534573 858704688 /nfs/dbraw/zinc/70/46/88/858704688.db2.gz RWJLVJVFUNMBJO-INIZCTEOSA-N -1 3 388.345 3.566 20 0 GHADHM CCCC[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596019754 858762321 /nfs/dbraw/zinc/76/23/21/858762321.db2.gz CEZYWXXVSIHKQQ-GFCCVEGCSA-N -1 3 381.641 3.678 20 0 GHADHM CCCC[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596019756 858762445 /nfs/dbraw/zinc/76/24/45/858762445.db2.gz CEZYWXXVSIHKQQ-LBPRGKRZSA-N -1 3 381.641 3.678 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000183631334 858784320 /nfs/dbraw/zinc/78/43/20/858784320.db2.gz AEGZLDKZYAAXPX-MUUNZHRXSA-N -1 3 390.468 3.659 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC000804202547 858794992 /nfs/dbraw/zinc/79/49/92/858794992.db2.gz CUSUDJKHXCJOQH-UHFFFAOYSA-N -1 3 394.321 3.607 20 0 GHADHM CCOc1ccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)cc1 ZINC000183980874 858852062 /nfs/dbraw/zinc/85/20/62/858852062.db2.gz DJZZGZOPCFLMDJ-UHFFFAOYSA-N -1 3 375.471 3.888 20 0 GHADHM CC(C)(C)OC(=O)CCC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000596355235 858874378 /nfs/dbraw/zinc/87/43/78/858874378.db2.gz UEYZYQGPNOLFLI-UHFFFAOYSA-N -1 3 380.460 3.575 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CCC2)C1 ZINC000184184914 858889798 /nfs/dbraw/zinc/88/97/98/858889798.db2.gz VHJXBQAMEGKQEU-HXUWFJFHSA-N -1 3 378.472 3.656 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCOc2ccccc2C(C)(C)C)c1 ZINC000482844240 858911647 /nfs/dbraw/zinc/91/16/47/858911647.db2.gz OPERXIJTARJVLW-UHFFFAOYSA-N -1 3 384.476 3.799 20 0 GHADHM CCc1cc2c(CN(C)CC(=O)Nc3cccc(C)c3C)cc(=O)oc2cc1[O-] ZINC000007267963 858967067 /nfs/dbraw/zinc/96/70/67/858967067.db2.gz VPONCNOEHJBFAE-UHFFFAOYSA-N -1 3 394.471 3.748 20 0 GHADHM CC[C@]1(C)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2O1 ZINC000443574146 858976544 /nfs/dbraw/zinc/97/65/44/858976544.db2.gz KPJCPSUKOBXOCG-OPAMFIHVSA-N -1 3 396.443 3.533 20 0 GHADHM CSCc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000466290861 859007703 /nfs/dbraw/zinc/00/77/03/859007703.db2.gz SNASZOLHNIXFKU-UHFFFAOYSA-N -1 3 391.493 3.984 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3COc4cc(C)c(C)cc43)c2)n1 ZINC000185239626 859062479 /nfs/dbraw/zinc/06/24/79/859062479.db2.gz QYTWJXBSPLLRQD-IBGZPJMESA-N -1 3 389.455 3.731 20 0 GHADHM COc1ccc(CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1OC1CCCC1 ZINC000668202587 859121156 /nfs/dbraw/zinc/12/11/56/859121156.db2.gz GAZNZOUDORXDPM-UHFFFAOYSA-N -1 3 381.432 3.529 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3occc3C)nc(=O)c2c1C ZINC000429365870 859165401 /nfs/dbraw/zinc/16/54/01/859165401.db2.gz PUFQNKBLODCUAS-GFCCVEGCSA-N -1 3 389.477 3.564 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000665369929 859184498 /nfs/dbraw/zinc/18/44/98/859184498.db2.gz FRORRLGKHAZGMU-ZDUSSCGKSA-N -1 3 378.457 3.898 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000429379679 859191664 /nfs/dbraw/zinc/19/16/64/859191664.db2.gz ACQREBCCSYKMOA-QGZVFWFLSA-N -1 3 376.298 3.920 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-n2ccnc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000522370696 859236384 /nfs/dbraw/zinc/23/63/84/859236384.db2.gz FMDDXWSEGIYNPP-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000483253431 859248392 /nfs/dbraw/zinc/24/83/92/859248392.db2.gz AFWRWCVXMXWYMF-QFIPXVFZSA-N -1 3 396.450 3.608 20 0 GHADHM COc1cccc([C@H](C)N2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)c1 ZINC000668239861 859320095 /nfs/dbraw/zinc/32/00/95/859320095.db2.gz SWCPFOCTYDUBJB-HNNXBMFYSA-N -1 3 386.517 3.642 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000543669198 859326070 /nfs/dbraw/zinc/32/60/70/859326070.db2.gz DVEDPFCXBZLDDA-KRWDZBQOSA-N -1 3 397.313 3.645 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000923468214 859344131 /nfs/dbraw/zinc/34/41/31/859344131.db2.gz RJDYVDCYIONYFE-KPZWWZAWSA-N -1 3 387.307 3.747 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(OC)c(OC)c2Br)C1 ZINC000923472762 859356723 /nfs/dbraw/zinc/35/67/23/859356723.db2.gz YMRINJRJWLJXFF-KRWDZBQOSA-N -1 3 386.286 3.543 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000483547376 859442140 /nfs/dbraw/zinc/44/21/40/859442140.db2.gz XUWGCAQBHHWKEE-UHFFFAOYSA-N -1 3 399.392 3.660 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cncc(Br)c1 ZINC000194629987 859446984 /nfs/dbraw/zinc/44/69/84/859446984.db2.gz MCUXFSPDQTUIEG-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000483563308 859452189 /nfs/dbraw/zinc/45/21/89/859452189.db2.gz UHSHACCJRAPTLH-UHFFFAOYSA-N -1 3 387.365 3.763 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1F ZINC000543690042 859462912 /nfs/dbraw/zinc/46/29/12/859462912.db2.gz UPAWNRHITXJQOH-ZFWWWQNUSA-N -1 3 387.835 3.817 20 0 GHADHM O=C([O-])c1nnc2ccccc2c1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000738711314 859489648 /nfs/dbraw/zinc/48/96/48/859489648.db2.gz WIZKHEIMRZDAEZ-UHFFFAOYSA-N -1 3 380.423 3.544 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)sc1Br ZINC000134653885 859492375 /nfs/dbraw/zinc/49/23/75/859492375.db2.gz HBJWDHCOQYPKSC-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(Br)c(F)c1 ZINC000499744972 859497323 /nfs/dbraw/zinc/49/73/23/859497323.db2.gz XEGJFZVCRNCUIO-VIFPVBQESA-N -1 3 386.233 3.692 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c(=O)[n-]1 ZINC000058363694 881430551 /nfs/dbraw/zinc/43/05/51/881430551.db2.gz VECUBEAZDOVWGG-UHFFFAOYSA-N -1 3 392.459 3.762 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)n1 ZINC000114313555 859541386 /nfs/dbraw/zinc/54/13/86/859541386.db2.gz DLXBERJUPLKXQM-UHFFFAOYSA-N -1 3 393.852 3.720 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3Oc3cccnc3)nc21 ZINC000611213962 859647085 /nfs/dbraw/zinc/64/70/85/859647085.db2.gz ZVCUZHZNHTZYSZ-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)nc21 ZINC000611245447 859665891 /nfs/dbraw/zinc/66/58/91/859665891.db2.gz TVYZBXFRVSKCNI-UHFFFAOYSA-N -1 3 394.353 3.582 20 0 GHADHM CN1C(=O)Cc2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])ccc21 ZINC000194709259 859680565 /nfs/dbraw/zinc/68/05/65/859680565.db2.gz MKVJUSLVONOLBS-UHFFFAOYSA-N -1 3 388.423 3.742 20 0 GHADHM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000765103506 859789164 /nfs/dbraw/zinc/78/91/64/859789164.db2.gz GAUDMHLOSXKBLN-CMDGGOBGSA-N -1 3 383.853 3.778 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765180025 859823882 /nfs/dbraw/zinc/82/38/82/859823882.db2.gz SQDBSBNFCGLRFQ-SFHVURJKSA-N -1 3 397.855 3.720 20 0 GHADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000765312401 859901413 /nfs/dbraw/zinc/90/14/13/859901413.db2.gz XGEVXUJFSAGQLS-DLBZAZTESA-N -1 3 384.348 3.757 20 0 GHADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484265807 859916176 /nfs/dbraw/zinc/91/61/76/859916176.db2.gz YCSSORAFJJNJDQ-HNNXBMFYSA-N -1 3 398.409 3.662 20 0 GHADHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000727360548 860053367 /nfs/dbraw/zinc/05/33/67/860053367.db2.gz BFTCVWZOCDUGEE-HJWRWDBZSA-N -1 3 384.299 3.813 20 0 GHADHM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000598146261 860078454 /nfs/dbraw/zinc/07/84/54/860078454.db2.gz SCDXPYROEWKIFW-UHFFFAOYSA-N -1 3 384.476 3.502 20 0 GHADHM O=C([O-])COc1ccc(CCCNCc2c(F)cccc2Br)cc1 ZINC000904072695 860098878 /nfs/dbraw/zinc/09/88/78/860098878.db2.gz UVBKWKFYZKMSSO-UHFFFAOYSA-N -1 3 396.256 3.774 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000904069176 860119550 /nfs/dbraw/zinc/11/95/50/860119550.db2.gz JCNJUTMDPNNBAS-MGPUTAFESA-N -1 3 391.899 3.563 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)[n-]1 ZINC000484574902 860128223 /nfs/dbraw/zinc/12/82/23/860128223.db2.gz RSKWKMRNRYSTBU-UHFFFAOYSA-N -1 3 383.429 3.719 20 0 GHADHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000525914905 860132954 /nfs/dbraw/zinc/13/29/54/860132954.db2.gz JBFDGTWLEMJUAX-UHFFFAOYSA-N -1 3 388.467 3.706 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)Nc1nccs1 ZINC000527461061 860180246 /nfs/dbraw/zinc/18/02/46/860180246.db2.gz SWGNLYJUBLVAOL-MRXNPFEDSA-N -1 3 383.473 3.785 20 0 GHADHM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1cccnc1 ZINC000017801870 860188238 /nfs/dbraw/zinc/18/82/38/860188238.db2.gz YNFRRYJQPBAHQX-CQSZACIVSA-N -1 3 399.447 3.513 20 0 GHADHM CC[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccccc1C ZINC000904221154 860244423 /nfs/dbraw/zinc/24/44/23/860244423.db2.gz YRTMHDRNDUMHHE-SFHVURJKSA-N -1 3 386.492 3.836 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCOc3cccc4ccccc43)o2)CC1 ZINC000904211647 860258040 /nfs/dbraw/zinc/25/80/40/860258040.db2.gz QNZSEXMMXKLCIT-UHFFFAOYSA-N -1 3 394.471 3.902 20 0 GHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602754201 860258268 /nfs/dbraw/zinc/25/82/68/860258268.db2.gz PHRXGLLYQZIURP-NWDGAFQWSA-N -1 3 377.282 3.847 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)[N-]C(=O)c1cccs1 ZINC000727927022 860322942 /nfs/dbraw/zinc/32/29/42/860322942.db2.gz KYGQMZBEMGQOQU-MNOVXSKESA-N -1 3 398.267 3.658 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000904400685 860405697 /nfs/dbraw/zinc/40/56/97/860405697.db2.gz KOXGNYLGBFKPAQ-SFHVURJKSA-N -1 3 392.297 3.916 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000171212868 860423838 /nfs/dbraw/zinc/42/38/38/860423838.db2.gz JCBYEDVQWMHUAW-PZJWPPBQSA-N -1 3 392.499 3.793 20 0 GHADHM Cc1cc(C)cc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000155163585 860424644 /nfs/dbraw/zinc/42/46/44/860424644.db2.gz BJLAHCCZQFSSSI-UHFFFAOYSA-N -1 3 399.288 3.880 20 0 GHADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](C(F)(F)F)O1 ZINC000428936023 860433031 /nfs/dbraw/zinc/43/30/31/860433031.db2.gz QQNCZZRXYVESHQ-GFCCVEGCSA-N -1 3 381.354 3.623 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603042536 860454479 /nfs/dbraw/zinc/45/44/79/860454479.db2.gz JPKJAILEFHVXQU-NXEZZACHSA-N -1 3 384.855 3.659 20 0 GHADHM CSCC1CCC(NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000603043740 860454664 /nfs/dbraw/zinc/45/46/64/860454664.db2.gz OKNVSIMBSKJXPP-UHFFFAOYSA-N -1 3 384.855 3.564 20 0 GHADHM COCCOc1cc(C)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155694529 860578006 /nfs/dbraw/zinc/57/80/06/860578006.db2.gz HGIOVVVIMSZHPF-UHFFFAOYSA-N -1 3 384.407 3.562 20 0 GHADHM CC1(C)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1OCc1ccccc1 ZINC000474674759 860612161 /nfs/dbraw/zinc/61/21/61/860612161.db2.gz BKCJOBSWOOGOIW-RTWAWAEBSA-N -1 3 376.456 3.642 20 0 GHADHM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000920040012 881559737 /nfs/dbraw/zinc/55/97/37/881559737.db2.gz MXAMLQGTQQKGSV-QXAKKESOSA-N -1 3 386.536 3.966 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cccc2c1OCO2 ZINC000509064859 860770427 /nfs/dbraw/zinc/77/04/27/860770427.db2.gz KEZUVRHERZWPSG-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000176463582 860889566 /nfs/dbraw/zinc/88/95/66/860889566.db2.gz YYZRUMNRAWYNDW-UHFFFAOYSA-N -1 3 383.429 3.770 20 0 GHADHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000625154486 861028911 /nfs/dbraw/zinc/02/89/11/861028911.db2.gz UBUQAJUYYGWWJY-UHFFFAOYSA-N -1 3 395.321 3.603 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000625167288 861066793 /nfs/dbraw/zinc/06/67/93/861066793.db2.gz JHGLAHPJWKQAGC-IBGZPJMESA-N -1 3 384.863 3.942 20 0 GHADHM O=C(COC(=O)c1cccc(Br)c1[O-])Nc1ccccc1Cl ZINC000730363630 861072555 /nfs/dbraw/zinc/07/25/55/861072555.db2.gz CKCROOYGFLMHSC-UHFFFAOYSA-N -1 3 384.613 3.604 20 0 GHADHM Cc1cccc(-c2noc(COC(=O)c3cccc(Br)c3[O-])n2)c1 ZINC000730364732 861075085 /nfs/dbraw/zinc/07/50/85/861075085.db2.gz NHNILUCIUSTSNF-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)(C(=O)OC)c1ccccc1 ZINC000730421373 861104303 /nfs/dbraw/zinc/10/43/03/861104303.db2.gz VOUFJKQHBPZZEM-QQBSYFJQSA-N -1 3 393.892 3.709 20 0 GHADHM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cc(F)cc2n[n-]nc21 ZINC000669696043 861122190 /nfs/dbraw/zinc/12/21/90/861122190.db2.gz GREOTFZHKDGMQT-UHFFFAOYSA-N -1 3 389.362 3.675 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCC2)c(Cl)cc1Cl ZINC000730557323 861158099 /nfs/dbraw/zinc/15/80/99/861158099.db2.gz XFHOYFCTIUVRAL-SNVBAGLBSA-N -1 3 393.336 3.743 20 0 GHADHM CC(C)Cn1ccc2cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc21 ZINC000599426411 861170468 /nfs/dbraw/zinc/17/04/68/861170468.db2.gz RGNQTHDFOPBNMY-UHFFFAOYSA-N -1 3 378.416 3.618 20 0 GHADHM CCSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000733768633 863153805 /nfs/dbraw/zinc/15/38/05/863153805.db2.gz DYOAZCRIJWNNPE-UHFFFAOYSA-N -1 3 396.509 3.877 20 0 GHADHM O=[S@@](Cc1cc2c(cc1Br)OCCCO2)c1ccc([O-])cc1 ZINC000182274989 863171707 /nfs/dbraw/zinc/17/17/07/863171707.db2.gz AWZRTVAZYPDFAJ-QFIPXVFZSA-N -1 3 383.263 3.624 20 0 GHADHM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000605889373 863270219 /nfs/dbraw/zinc/27/02/19/863270219.db2.gz IQQDVXHUCHYMCB-IBGZPJMESA-N -1 3 394.496 3.592 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000733894887 863322579 /nfs/dbraw/zinc/32/25/79/863322579.db2.gz JCXRZSHKUWRBFF-QFIPXVFZSA-N -1 3 388.467 3.624 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000182874367 863388678 /nfs/dbraw/zinc/38/86/78/863388678.db2.gz OMJIUQXTYPPGKV-OAHLLOKOSA-N -1 3 393.333 3.749 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(N(C)C)nc4ccccc43)cc2)n1 ZINC000183243307 863518231 /nfs/dbraw/zinc/51/82/31/863518231.db2.gz SSVBXGDIRKNWAK-UHFFFAOYSA-N -1 3 399.454 3.612 20 0 GHADHM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCC1 ZINC000606378258 863573080 /nfs/dbraw/zinc/57/30/80/863573080.db2.gz FRPVVOFRCSJYQB-UHFFFAOYSA-N -1 3 376.453 3.641 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCc2ccc(Cl)cc2)cc1 ZINC000920105198 881679776 /nfs/dbraw/zinc/67/97/76/881679776.db2.gz ITQLCKRCIPLGIU-UHFFFAOYSA-N -1 3 397.880 3.612 20 0 GHADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000522904582 863681808 /nfs/dbraw/zinc/68/18/08/863681808.db2.gz LFMFSUQYLKBKME-NSHDSACASA-N -1 3 383.286 3.568 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC000444217313 863691228 /nfs/dbraw/zinc/69/12/28/863691228.db2.gz WLIDMLDHTCQFHY-QZTJIDSGSA-N -1 3 388.533 3.713 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@@H](C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000172517963 863710372 /nfs/dbraw/zinc/71/03/72/863710372.db2.gz SFACRRXFDLOPEQ-MRXNPFEDSA-N -1 3 392.455 3.774 20 0 GHADHM COc1cc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)ccc1OC(C)C ZINC000606639574 863763701 /nfs/dbraw/zinc/76/37/01/863763701.db2.gz KHYGTKCQPRPFSV-CYBMUJFWSA-N -1 3 376.428 3.888 20 0 GHADHM CCn1nc(C)c([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)c1C ZINC000172904358 864105259 /nfs/dbraw/zinc/10/52/59/864105259.db2.gz QQSYVNVTFWWYQN-CMDGGOBGSA-N -1 3 384.299 3.695 20 0 GHADHM COc1ncc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1Cl ZINC000792859980 881730633 /nfs/dbraw/zinc/73/06/33/881730633.db2.gz UNGOBKRXGQITMK-MRVPVSSYSA-N -1 3 393.852 3.989 20 0 GHADHM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)C1 ZINC000621565728 864258379 /nfs/dbraw/zinc/25/83/79/864258379.db2.gz KBMZSDUQBQHXNQ-CYBMUJFWSA-N -1 3 398.425 3.522 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)CCCOc2ccc(C(C)=O)cc2)[nH][n-]1 ZINC000621654488 864349686 /nfs/dbraw/zinc/34/96/86/864349686.db2.gz BOBFBYDGZUTRNY-UHFFFAOYSA-N -1 3 393.443 3.508 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1cnc(-c3ccncc3)s1)OCCO2 ZINC000607487682 864462437 /nfs/dbraw/zinc/46/24/37/864462437.db2.gz XGQBMGLJCHSILO-UHFFFAOYSA-N -1 3 385.470 3.951 20 0 GHADHM CC(C)n1cnnc1C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621860439 864491327 /nfs/dbraw/zinc/49/13/27/864491327.db2.gz QQGATYFNSRSTFK-UHFFFAOYSA-N -1 3 382.386 3.603 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000554535881 864496537 /nfs/dbraw/zinc/49/65/37/864496537.db2.gz RTMLFKHOESEJGU-MRXNPFEDSA-N -1 3 380.839 3.655 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cccc3n[n-]nc32)ccc1OC1CCCC1 ZINC000163538241 864533086 /nfs/dbraw/zinc/53/30/86/864533086.db2.gz DXEQAILRBJAKPK-ZDUSSCGKSA-N -1 3 380.448 3.779 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000898739958 864580480 /nfs/dbraw/zinc/58/04/80/864580480.db2.gz NMNBZLNRNOIQKG-LBPRGKRZSA-N -1 3 379.913 3.617 20 0 GHADHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622054288 864723641 /nfs/dbraw/zinc/72/36/41/864723641.db2.gz XRKFOXBUOHIXRG-LLVKDONJSA-N -1 3 394.397 3.877 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)c(=O)[n-]1 ZINC000622193191 864846938 /nfs/dbraw/zinc/84/69/38/864846938.db2.gz QULOVVZLALKVEB-UHFFFAOYSA-N -1 3 393.409 3.946 20 0 GHADHM O=C([N-]NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000184711807 864871759 /nfs/dbraw/zinc/87/17/59/864871759.db2.gz KBYHBWWZCNVTTN-UHFFFAOYSA-N -1 3 393.752 3.982 20 0 GHADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1nnc2ccccc2c1[O-] ZINC000735650460 864902069 /nfs/dbraw/zinc/90/20/69/864902069.db2.gz RLXBGPPPQMEWPL-UHFFFAOYSA-N -1 3 384.848 3.571 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1F ZINC000189309398 881816799 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CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000156381646 865022951 /nfs/dbraw/zinc/02/29/51/865022951.db2.gz LBIKPANHHCBNQY-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC000622577532 865092139 /nfs/dbraw/zinc/09/21/39/865092139.db2.gz PRLSPJLMQWXVDV-UHFFFAOYSA-N -1 3 387.842 3.690 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223575 865155301 /nfs/dbraw/zinc/15/53/01/865155301.db2.gz OLNIFCCEXHWGKH-MAUKXSAKSA-N -1 3 384.896 3.537 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223575 865155302 /nfs/dbraw/zinc/15/53/02/865155302.db2.gz OLNIFCCEXHWGKH-MAUKXSAKSA-N -1 3 384.896 3.537 20 0 GHADHM CCCCCCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736446681 865209909 /nfs/dbraw/zinc/20/99/09/865209909.db2.gz LRYLTUQXLUQRHF-UHFFFAOYSA-N -1 3 396.451 3.589 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)N3CCc4ccccc43)nc2)n1 ZINC000301188949 865215460 /nfs/dbraw/zinc/21/54/60/865215460.db2.gz XJPVAIKQKZPHBR-HNNXBMFYSA-N -1 3 375.476 3.670 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2oc3ccccc3c2CN(C)C)[nH][n-]1 ZINC000608357934 865255883 /nfs/dbraw/zinc/25/58/83/865255883.db2.gz BZPWUMHAOZAMAF-UHFFFAOYSA-N -1 3 390.443 3.567 20 0 GHADHM COc1cccc(SCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000156549179 865276709 /nfs/dbraw/zinc/27/67/09/865276709.db2.gz STCGGPZPLMLZOR-UHFFFAOYSA-N -1 3 382.279 3.572 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737024444 865348966 /nfs/dbraw/zinc/34/89/66/865348966.db2.gz IDRITXSBBFTVCX-CHWSQXEVSA-N -1 3 376.844 3.651 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737024444 865348980 /nfs/dbraw/zinc/34/89/80/865348980.db2.gz IDRITXSBBFTVCX-CHWSQXEVSA-N -1 3 376.844 3.651 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1C)C(C)C ZINC000737063116 865354811 /nfs/dbraw/zinc/35/48/11/865354811.db2.gz NQFXSJXQRHAJTF-SFHVURJKSA-N -1 3 380.452 3.703 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1C)C(C)C ZINC000737063116 865354824 /nfs/dbraw/zinc/35/48/24/865354824.db2.gz NQFXSJXQRHAJTF-SFHVURJKSA-N -1 3 380.452 3.703 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CCC)cc2)cc1 ZINC000063849106 865471258 /nfs/dbraw/zinc/47/12/58/865471258.db2.gz RJNHZCMIHDWYOZ-UHFFFAOYSA-N -1 3 396.534 3.592 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)Nc2ccccc2)c1Cl ZINC000480916001 865502571 /nfs/dbraw/zinc/50/25/71/865502571.db2.gz SDTWDODOQNGMBJ-LLVKDONJSA-N -1 3 387.288 3.607 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2cc(OC(F)F)ccc21)c1cccnc1Cl ZINC000738366263 865531669 /nfs/dbraw/zinc/53/16/69/865531669.db2.gz UEHBFFMGGLPTQV-ZDUSSCGKSA-N -1 3 388.823 3.692 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCCO1)c1cnc(Cl)c(Cl)c1 ZINC000738371126 865532398 /nfs/dbraw/zinc/53/23/98/865532398.db2.gz BMDYCZFVGHMWFB-CABCVRRESA-N -1 3 387.288 3.587 20 0 GHADHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738365372 865547870 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CC(C)Cn1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1C(F)F ZINC000533988831 865958055 /nfs/dbraw/zinc/95/80/55/865958055.db2.gz OXWASQYNMWKVIQ-UHFFFAOYSA-N -1 3 395.360 3.819 20 0 GHADHM C[C@H](c1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1)C(F)(F)F ZINC000456056999 866056365 /nfs/dbraw/zinc/05/63/65/866056365.db2.gz FSVOVQRQBWHWKT-SNVBAGLBSA-N -1 3 393.365 3.501 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000175922544 866061593 /nfs/dbraw/zinc/06/15/93/866061593.db2.gz DEPMGLJHZLNCAA-HZPDHXFCSA-N -1 3 388.464 3.920 20 0 GHADHM COC(=O)c1nc(Br)ccc1Nc1c(Cl)ccc([O-])c1F ZINC001214556012 866222385 /nfs/dbraw/zinc/22/23/85/866222385.db2.gz GBMFMAIFIFXSOQ-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM O=C([O-])[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000262723648 866236315 /nfs/dbraw/zinc/23/63/15/866236315.db2.gz XJOKFVGCEUXIET-INIZCTEOSA-N -1 3 392.249 3.526 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000153187802 866240550 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GHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(N2CCOC2=O)ccc1F ZINC000741541473 866604563 /nfs/dbraw/zinc/60/45/63/866604563.db2.gz SWMBARLUSSVXLO-UHFFFAOYSA-N -1 3 384.392 3.553 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000534363829 866650843 /nfs/dbraw/zinc/65/08/43/866650843.db2.gz ZHZMCKHDYXEYFY-AWEZNQCLSA-N -1 3 390.842 3.990 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c([O-])c1 ZINC000620315501 866654838 /nfs/dbraw/zinc/65/48/38/866654838.db2.gz TVHAUHXCILBMKM-UHFFFAOYSA-N -1 3 392.499 3.957 20 0 GHADHM Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000620430010 866748535 /nfs/dbraw/zinc/74/85/35/866748535.db2.gz XFYFLMJRBHOLIM-UHFFFAOYSA-N -1 3 389.411 3.706 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000666026909 882009982 /nfs/dbraw/zinc/00/99/82/882009982.db2.gz ARBQAQHNLGCEPK-MRXNPFEDSA-N -1 3 399.516 3.931 20 0 GHADHM COc1cccc(F)c1[C@@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640295629 882012628 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Cc1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc(C)c1F ZINC000742028140 867017314 /nfs/dbraw/zinc/01/73/14/867017314.db2.gz SYMMZDUEUKAGEZ-UHFFFAOYSA-N -1 3 380.416 3.509 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)c1 ZINC000742027923 867017531 /nfs/dbraw/zinc/01/75/31/867017531.db2.gz LRMJWDIBYCIKMZ-UHFFFAOYSA-N -1 3 376.453 3.877 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000121375169 882044231 /nfs/dbraw/zinc/04/42/31/882044231.db2.gz XIYRSAGNSFZMII-IFXJQAMLSA-N -1 3 377.444 3.884 20 0 GHADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[C@@H]1c1ccccc1 ZINC000534638076 867165373 /nfs/dbraw/zinc/16/53/73/867165373.db2.gz JEVTYSAMUQQOGH-FZMZJTMJSA-N -1 3 391.345 3.779 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@H](c2ccco2)C1 ZINC000133211473 882065258 /nfs/dbraw/zinc/06/52/58/882065258.db2.gz IVYCAMCXFVBVLQ-QFIPXVFZSA-N -1 3 377.440 3.984 20 0 GHADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000742325678 867206584 /nfs/dbraw/zinc/20/65/84/867206584.db2.gz GXQTXCGOBABRCM-VHSXEESVSA-N -1 3 382.295 3.700 20 0 GHADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000742319468 867224455 /nfs/dbraw/zinc/22/44/55/867224455.db2.gz ICSBFQOMDDKFRX-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)c([O-])c2)CN1Cc1ccccc1 ZINC000154088784 867243436 /nfs/dbraw/zinc/24/34/36/867243436.db2.gz GUUCXEHNUSJTQF-CZUORRHYSA-N -1 3 389.293 3.548 20 0 GHADHM O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)ccc1[O-] ZINC000534729713 867347947 /nfs/dbraw/zinc/34/79/47/867347947.db2.gz USVWVTQOUZMDOO-UHFFFAOYSA-N -1 3 391.899 3.642 20 0 GHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2c(F)cc(Br)cc2F)c1 ZINC000153647227 867348190 /nfs/dbraw/zinc/34/81/90/867348190.db2.gz CLGWHNIHTRVXEY-UHFFFAOYSA-N -1 3 388.139 3.905 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c([O-])c1 ZINC000154360585 867370280 /nfs/dbraw/zinc/37/02/80/867370280.db2.gz VHYJTSBJZOMNOX-HXUWFJFHSA-N -1 3 388.467 3.888 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c([O-])c1 ZINC000154360478 867370532 /nfs/dbraw/zinc/37/05/32/867370532.db2.gz VHYJTSBJZOMNOX-FQEVSTJZSA-N -1 3 388.467 3.888 20 0 GHADHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Oc3ccncc3)cc1)OCO2 ZINC000479231887 867416544 /nfs/dbraw/zinc/41/65/44/867416544.db2.gz LLXJHAUDYJGTLF-UHFFFAOYSA-N -1 3 384.413 3.712 20 0 GHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553503502 867548582 /nfs/dbraw/zinc/54/85/82/867548582.db2.gz VCWWICURYKJERI-VIFPVBQESA-N -1 3 375.409 3.534 20 0 GHADHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000444994986 867591739 /nfs/dbraw/zinc/59/17/39/867591739.db2.gz FQWDYBWODOGVQP-HNNXBMFYSA-N -1 3 391.386 3.901 20 0 GHADHM O=C(CCCc1ccccc1)N[N-]C(=O)c1cccc(Br)c1Cl ZINC000183745173 867672418 /nfs/dbraw/zinc/67/24/18/867672418.db2.gz GUMJAFXXZCUYLN-UHFFFAOYSA-N -1 3 395.684 3.886 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743049114 867786095 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O=C(NCc1ccc([O-])c(Br)c1)N1CCc2ccc(F)cc2C1 ZINC000154640917 868128833 /nfs/dbraw/zinc/12/88/33/868128833.db2.gz JSYQQPICYCGHKT-UHFFFAOYSA-N -1 3 379.229 3.562 20 0 GHADHM Cn1ncc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1Cc1ccccc1 ZINC000445264044 868133345 /nfs/dbraw/zinc/13/33/45/868133345.db2.gz RNXZENXOUGOZLD-UHFFFAOYSA-N -1 3 398.426 3.795 20 0 GHADHM Cn1ncc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1Cc1ccccc1 ZINC000445264044 868133363 /nfs/dbraw/zinc/13/33/63/868133363.db2.gz RNXZENXOUGOZLD-UHFFFAOYSA-N -1 3 398.426 3.795 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)n1 ZINC000155917420 868181804 /nfs/dbraw/zinc/18/18/04/868181804.db2.gz SXLFOUKRWBBGAU-SNVBAGLBSA-N -1 3 377.470 3.947 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000155918311 868183670 /nfs/dbraw/zinc/18/36/70/868183670.db2.gz KOCHBCGKQLKMTN-FQEVSTJZSA-N -1 3 381.520 3.581 20 0 GHADHM CSCCCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553853487 868333307 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GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1CCSc2ccccc21 ZINC000648433011 882220731 /nfs/dbraw/zinc/22/07/31/882220731.db2.gz PIFFMIZLPDXNFH-JTQLQIEISA-N -1 3 375.803 3.739 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)o1 ZINC000479930435 868743914 /nfs/dbraw/zinc/74/39/14/868743914.db2.gz WOYOPNDZTZCRKV-CYBMUJFWSA-N -1 3 378.277 3.951 20 0 GHADHM COc1ccccc1[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000157867269 868784822 /nfs/dbraw/zinc/78/48/22/868784822.db2.gz HFIKFLYTXLFZQA-AWEZNQCLSA-N -1 3 375.428 3.667 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc([C@H]2CCCOC2)c1 ZINC000648432188 882227210 /nfs/dbraw/zinc/22/72/10/882227210.db2.gz SOSMEBMXIYLUAB-ZDUSSCGKSA-N -1 3 387.789 3.667 20 0 GHADHM Cc1cc(C)c2cc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)sc2n1 ZINC000648433612 882233677 /nfs/dbraw/zinc/23/36/77/882233677.db2.gz GRNFDSKBKDAYOY-UHFFFAOYSA-N -1 3 388.802 4.000 20 0 GHADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NCc1ccc([O-])c(F)c1 ZINC000158139803 868873506 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3.811 20 0 GHADHM O=C(OCc1ncc(-c2ccc(Br)cc2)o1)c1cncc([O-])c1 ZINC000745001762 869225820 /nfs/dbraw/zinc/22/58/20/869225820.db2.gz FXDPAPWGLAPRMK-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM Cc1ccc(C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccn2)cc1 ZINC000524544427 869231897 /nfs/dbraw/zinc/23/18/97/869231897.db2.gz VAQQFQQOJNFLNI-OAQYLSRUSA-N -1 3 383.451 3.945 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1cccc(O)c1 ZINC000428427009 869256456 /nfs/dbraw/zinc/25/64/56/869256456.db2.gz ZHGPTBBHVOUHFP-SSDOTTSWSA-N -1 3 396.715 3.909 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000462363112 869315373 /nfs/dbraw/zinc/31/53/73/869315373.db2.gz SBLWKPJVSWHZMZ-ZBFHGGJFSA-N -1 3 395.322 3.534 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1C ZINC000524623319 869332521 /nfs/dbraw/zinc/33/25/21/869332521.db2.gz OPXNQVKNBJZBQO-UHFFFAOYSA-N -1 3 381.519 3.684 20 0 GHADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000462421013 869410673 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GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)s1 ZINC000462515585 869591595 /nfs/dbraw/zinc/59/15/95/869591595.db2.gz XIVUTKYFRDBURJ-ZDUSSCGKSA-N -1 3 390.299 3.924 20 0 GHADHM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000857545012 882328873 /nfs/dbraw/zinc/32/88/73/882328873.db2.gz ZPWOHCQRKOHGIB-RUZDIDTESA-N -1 3 387.479 3.889 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)cc1[O-] ZINC000745652708 869722261 /nfs/dbraw/zinc/72/22/61/869722261.db2.gz LUPASVNOELLDED-SECBINFHSA-N -1 3 389.389 3.600 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1F ZINC000190993751 882333709 /nfs/dbraw/zinc/33/37/09/882333709.db2.gz KOTJMCFNGZXWRR-UHFFFAOYSA-N -1 3 398.419 3.573 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000462664359 869868375 /nfs/dbraw/zinc/86/83/75/869868375.db2.gz UJOWZQKLHDNFJH-AWEZNQCLSA-N -1 3 395.443 3.635 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCCC2 ZINC000462678301 869888702 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GHADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000446642848 870133836 /nfs/dbraw/zinc/13/38/36/870133836.db2.gz QUULTAOVSHUZGR-LLVKDONJSA-N -1 3 383.208 3.931 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1F ZINC000446644568 870135083 /nfs/dbraw/zinc/13/50/83/870135083.db2.gz NCFURIZSXPQYBR-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)cc1F ZINC000122004997 882375347 /nfs/dbraw/zinc/37/53/47/882375347.db2.gz WYOYLEDXYYTCAA-KXBFYZLASA-N -1 3 381.444 3.719 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1n1cccn1)c1ccc(F)cc1C(F)(F)F ZINC000173542933 882378149 /nfs/dbraw/zinc/37/81/49/882378149.db2.gz VKSFVXWILCEKFS-ZIAGYGMSSA-N -1 3 391.390 3.503 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)cc1OC ZINC000011810594 882378266 /nfs/dbraw/zinc/37/82/66/882378266.db2.gz TUAPXIXFNMKRFQ-QMMMGPOBSA-N -1 3 387.219 3.523 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000540029391 870244898 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GHADHM CCOC(=O)c1nc[n-]c1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000538856795 870752814 /nfs/dbraw/zinc/75/28/14/870752814.db2.gz SLBZQMOTRBTVLT-UHFFFAOYSA-N -1 3 386.235 3.691 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1Cl)c1cnccc1Cl ZINC001192910227 870765017 /nfs/dbraw/zinc/76/50/17/870765017.db2.gz DDUBATXMGSBHIE-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(C(F)(F)F)cc1)c1cnccc1Cl ZINC001192912271 870767260 /nfs/dbraw/zinc/76/72/60/870767260.db2.gz AIIFTDSJRJUAEI-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1OC(C)C ZINC000766462919 870786022 /nfs/dbraw/zinc/78/60/22/870786022.db2.gz QWZLKTXYZPOANX-UHFFFAOYSA-N -1 3 387.860 3.753 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCn2c3ccccc3nc2C2CC2)c([O-])c1 ZINC000538871940 870798033 /nfs/dbraw/zinc/79/80/33/870798033.db2.gz CIFASHNHTXZNSV-UHFFFAOYSA-N -1 3 393.443 3.825 20 0 GHADHM CS(=O)(=O)CC1(CSc2nnc([N-]c3ccccc3F)s2)CCC1 ZINC000133799869 882446278 /nfs/dbraw/zinc/44/62/78/882446278.db2.gz 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CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)c1 ZINC001193350053 871036828 /nfs/dbraw/zinc/03/68/28/871036828.db2.gz LRZIMHQOMNQKEU-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM COC(=O)c1sccc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000447127174 871074552 /nfs/dbraw/zinc/07/45/52/871074552.db2.gz GZJOWMTVHVWDMF-UHFFFAOYSA-N -1 3 376.178 3.828 20 0 GHADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000181517436 871127604 /nfs/dbraw/zinc/12/76/04/871127604.db2.gz XTKUOPXDSLLOIC-ZDUSSCGKSA-N -1 3 379.247 3.807 20 0 GHADHM COC(=O)Cc1c(F)ccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1F ZINC001193747301 871288824 /nfs/dbraw/zinc/28/88/24/871288824.db2.gz IRSXRYDIIQTUDO-UHFFFAOYSA-N -1 3 389.276 3.657 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1C(F)(F)F)c1cccc(O)c1 ZINC001193759190 871298355 /nfs/dbraw/zinc/29/83/55/871298355.db2.gz QGZRXOQWBZVYMP-INIZCTEOSA-N -1 3 397.349 3.541 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1F)c1cc(F)cc(Br)c1 ZINC001193764938 871300039 /nfs/dbraw/zinc/30/00/39/871300039.db2.gz XBFICZDXVKIDMT-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Nc1ccccc1S(=O)(=O)[N-]c1c(Br)cccc1C(F)(F)F ZINC001193934788 871378144 /nfs/dbraw/zinc/37/81/44/871378144.db2.gz MSAAVDSQRUMSPE-UHFFFAOYSA-N -1 3 395.200 3.851 20 0 GHADHM O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181761978 871464976 /nfs/dbraw/zinc/46/49/76/871464976.db2.gz REPWKNWTZKFQIL-HNNXBMFYSA-N -1 3 392.427 3.950 20 0 GHADHM CC(C)OC(=O)C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000181834358 871512799 /nfs/dbraw/zinc/51/27/99/871512799.db2.gz UQIXMXXOLHTBOL-LJQANCHMSA-N -1 3 381.428 3.671 20 0 GHADHM O=S(=O)([N-]CCCO[C@H]1CCCc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000462127078 871623570 /nfs/dbraw/zinc/62/35/70/871623570.db2.gz HJSBECYOORYDJU-SFHVURJKSA-N -1 3 399.434 3.867 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)Cc3cc(Cl)ccc3F)c2C1 ZINC001194328298 871624078 /nfs/dbraw/zinc/62/40/78/871624078.db2.gz YYKNEULAGVKKIU-UHFFFAOYSA-N -1 3 386.876 3.602 20 0 GHADHM [O-]c1cc(Nc2cnc(I)c(Cl)n2)ccc1Cl ZINC001212591509 871640408 /nfs/dbraw/zinc/64/04/08/871640408.db2.gz QDEOETLEYGHZQY-UHFFFAOYSA-N -1 3 381.988 3.837 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC[C@H]1C=CCC1 ZINC001194338993 871653533 /nfs/dbraw/zinc/65/35/33/871653533.db2.gz YSWFFHHPWZVSMY-NSHDSACASA-N -1 3 392.290 3.622 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)cs2)c1 ZINC000618503480 871670530 /nfs/dbraw/zinc/67/05/30/871670530.db2.gz IBMBOHNOXFLQLU-OFQRWUPVSA-N -1 3 399.516 3.504 20 0 GHADHM CSc1cc(Br)ccc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001169581322 871675255 /nfs/dbraw/zinc/67/52/55/871675255.db2.gz KLLUALWOXMGTPQ-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CSc1cc(Br)ccc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001169581322 871675262 /nfs/dbraw/zinc/67/52/62/871675262.db2.gz KLLUALWOXMGTPQ-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1CCC(=O)c2cccn21 ZINC000447505218 871716894 /nfs/dbraw/zinc/71/68/94/871716894.db2.gz UXWPWQWLDYPCCK-HNNXBMFYSA-N -1 3 389.242 3.763 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(Cc2cncs2)CC1 ZINC001169741912 871813280 /nfs/dbraw/zinc/81/32/80/871813280.db2.gz ISNZPXWOLGSHCP-UHFFFAOYSA-N -1 3 395.484 3.599 20 0 GHADHM COc1cccc(CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H]2CCCO2)c1 ZINC000182086664 871836654 /nfs/dbraw/zinc/83/66/54/871836654.db2.gz RYHAGGIZCPMZKM-HXUWFJFHSA-N -1 3 395.455 3.688 20 0 GHADHM COc1cccc(CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H]2CCCO2)c1 ZINC000182086645 871836926 /nfs/dbraw/zinc/83/69/26/871836926.db2.gz RYHAGGIZCPMZKM-FQEVSTJZSA-N -1 3 395.455 3.688 20 0 GHADHM COC(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000253614253 871899406 /nfs/dbraw/zinc/89/94/06/871899406.db2.gz YXTNUCJAQRDXBH-MRXNPFEDSA-N -1 3 392.440 3.528 20 0 GHADHM COc1cc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c(C)cc1Br ZINC001194784063 871930593 /nfs/dbraw/zinc/93/05/93/871930593.db2.gz ZAICANVPFKVULF-UHFFFAOYSA-N -1 3 378.148 3.760 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3cnc(C(F)(F)F)[n-]3)c2C1 ZINC001194783570 871930840 /nfs/dbraw/zinc/93/08/40/871930840.db2.gz QMSBBFVZGCUVBG-UHFFFAOYSA-N -1 3 396.369 3.932 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C3(C)C)c(C)c1C ZINC001194864843 871996644 /nfs/dbraw/zinc/99/66/44/871996644.db2.gz SCVGDXWSQPOGSN-UHFFFAOYSA-N -1 3 388.489 3.651 20 0 GHADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(=O)c2ccccc2[n-]1 ZINC000509655867 872008957 /nfs/dbraw/zinc/00/89/57/872008957.db2.gz GTGWVGHSIONWPZ-SFHVURJKSA-N -1 3 376.460 3.647 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(Cl)ccc3C)c2)[n-]1 ZINC000447684478 872108203 /nfs/dbraw/zinc/10/82/03/872108203.db2.gz ZNXPGRSMSWLOPJ-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(Cl)ccc3C)c2)n[n-]1 ZINC000447684478 872108211 /nfs/dbraw/zinc/10/82/11/872108211.db2.gz ZNXPGRSMSWLOPJ-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CC[C@@H](C)N1CC[C@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271915412 872117496 /nfs/dbraw/zinc/11/74/96/872117496.db2.gz POWXKFJSKODFCA-JLTOFOAXSA-N -1 3 378.900 3.689 20 0 GHADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)n(-c2ccccc2C(F)(F)F)n1 ZINC000526113965 872150755 /nfs/dbraw/zinc/15/07/55/872150755.db2.gz NTSOBJRMJYWNKG-UHFFFAOYSA-N -1 3 386.337 3.723 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)[n-]1 ZINC000618919723 872159119 /nfs/dbraw/zinc/15/91/19/872159119.db2.gz ODXVBCYBABSRKB-UHFFFAOYSA-N -1 3 382.401 3.708 20 0 GHADHM CC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000618953251 872167814 /nfs/dbraw/zinc/16/78/14/872167814.db2.gz AQAXWYIZKKLHHA-HXUWFJFHSA-N -1 3 390.480 3.935 20 0 GHADHM CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000618958636 872172273 /nfs/dbraw/zinc/17/22/73/872172273.db2.gz UMBILUNUKHOEHH-FQEVSTJZSA-N -1 3 390.480 3.935 20 0 GHADHM C[C@H](CO[N-]C(=O)CCSc1ccccc1Cl)NC(=O)OC(C)(C)C ZINC000767176112 872301122 /nfs/dbraw/zinc/30/11/22/872301122.db2.gz FVJCUWZVNXRZQY-GFCCVEGCSA-N -1 3 388.917 3.783 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)c2)[n-]1 ZINC000619142970 872346952 /nfs/dbraw/zinc/34/69/52/872346952.db2.gz ZIEATABPRJDVEP-SJORKVTESA-N -1 3 396.491 3.503 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)c2)n[n-]1 ZINC000619142970 872346965 /nfs/dbraw/zinc/34/69/65/872346965.db2.gz ZIEATABPRJDVEP-SJORKVTESA-N -1 3 396.491 3.503 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000552274427 872369770 /nfs/dbraw/zinc/36/97/70/872369770.db2.gz UBESJQLTZXMJQA-IUCAKERBSA-N -1 3 375.053 3.643 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2sccc2Br)c1F ZINC000478076691 872450322 /nfs/dbraw/zinc/45/03/22/872450322.db2.gz CIFKNOBHKYLRBZ-UHFFFAOYSA-N -1 3 376.178 3.828 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccc(C)o1 ZINC001195505395 872454599 /nfs/dbraw/zinc/45/45/99/872454599.db2.gz NIXOIUUNCFNFEQ-GFCCVEGCSA-N -1 3 376.247 3.919 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447928072 872559707 /nfs/dbraw/zinc/55/97/07/872559707.db2.gz GQNPGAWYRDHPHP-NVXWUHKLSA-N -1 3 391.464 3.775 20 0 GHADHM CSc1cccc(F)c1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640302956 882637821 /nfs/dbraw/zinc/63/78/21/882637821.db2.gz VMYAKKQTMNSLJH-UHFFFAOYSA-N -1 3 396.797 3.703 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CN(Cc1ccccc1)C2)c1ccc(O)cc1 ZINC001195794914 872667390 /nfs/dbraw/zinc/66/73/90/872667390.db2.gz OIXXZABGZVEGKP-UHFFFAOYSA-N -1 3 380.469 3.709 20 0 GHADHM COC(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c2)cc1 ZINC001195795571 872669091 /nfs/dbraw/zinc/66/90/91/872669091.db2.gz DFIHDMRSNXYDHZ-UHFFFAOYSA-N -1 3 383.425 3.647 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1NC(=O)OC(C)(C)C ZINC001195811317 872682377 /nfs/dbraw/zinc/68/23/77/872682377.db2.gz YRGDSSAFWCFMTM-UHFFFAOYSA-N -1 3 394.449 3.549 20 0 GHADHM COc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1NC(=O)OC(C)(C)C ZINC001195811317 872682387 /nfs/dbraw/zinc/68/23/87/872682387.db2.gz YRGDSSAFWCFMTM-UHFFFAOYSA-N -1 3 394.449 3.549 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2cccc(F)c2)sc1Cl ZINC000191863107 882643690 /nfs/dbraw/zinc/64/36/90/882643690.db2.gz YKXOVIOEMSQQFJ-CQSZACIVSA-N -1 3 399.900 3.650 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1C1CCCC1)c1c(F)cccc1OC(F)(F)F ZINC001196121620 872907298 /nfs/dbraw/zinc/90/72/98/872907298.db2.gz TYJOTSRYQLQMGB-VXGBXAGGSA-N -1 3 381.391 3.829 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccc(F)cc1)c1ccc(Br)cn1 ZINC001196191346 872912960 /nfs/dbraw/zinc/91/29/60/872912960.db2.gz QUDDCUMITGFLBN-HNNXBMFYSA-N -1 3 399.285 3.803 20 0 GHADHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000552635847 872924635 /nfs/dbraw/zinc/92/46/35/872924635.db2.gz UCCWXOOIHVXEGX-QLJPJBMISA-N -1 3 375.824 3.673 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2C(C)C)cc1 ZINC000122701812 882669082 /nfs/dbraw/zinc/66/90/82/882669082.db2.gz KJJFGCSZJWMQIJ-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2C(C)C)cc1 ZINC000122701812 882669096 /nfs/dbraw/zinc/66/90/96/882669096.db2.gz KJJFGCSZJWMQIJ-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1ccc(Cl)cn1 ZINC001196265929 872979140 /nfs/dbraw/zinc/97/91/40/872979140.db2.gz FLZPFPREBPGQPX-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1)c1ccc(Cl)cn1 ZINC001196272652 873010084 /nfs/dbraw/zinc/01/00/84/873010084.db2.gz JBOGCIHMEXUYQX-QGZVFWFLSA-N -1 3 380.897 3.571 20 0 GHADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)s1 ZINC000527325396 873016037 /nfs/dbraw/zinc/01/60/37/873016037.db2.gz CHOSBQIAKWVDQN-UHFFFAOYSA-N -1 3 391.499 3.638 20 0 GHADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000122731657 882679214 /nfs/dbraw/zinc/67/92/14/882679214.db2.gz HOQWMZJADIYJSZ-UXHICEINSA-N -1 3 388.508 3.941 20 0 GHADHM C[C@H](CN=c1cc(NC[C@@H](C)CC(F)(F)F)n2[n-]cnc2n1)CC(F)(F)F ZINC000413542253 873078505 /nfs/dbraw/zinc/07/85/05/873078505.db2.gz WPJRPFWDVQVUHQ-UWVGGRQHSA-N -1 3 398.355 3.547 20 0 GHADHM O=C(Nc1cc(O)cc(Cl)c1)c1cc([O-])cc(I)c1 ZINC001196417101 873101525 /nfs/dbraw/zinc/10/15/25/873101525.db2.gz GRWPWVARCLMCLN-UHFFFAOYSA-N -1 3 389.576 3.608 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(O)cc2Cl)cc1 ZINC001196465323 873114373 /nfs/dbraw/zinc/11/43/73/873114373.db2.gz BTLMXGOWHHPJTK-UHFFFAOYSA-N -1 3 399.856 3.588 20 0 GHADHM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc(F)cc2n[n-]nc21 ZINC000552758909 873142495 /nfs/dbraw/zinc/14/24/95/873142495.db2.gz LHWAQDRCTCENRU-UHFFFAOYSA-N -1 3 393.394 3.527 20 0 GHADHM O=C1[N-]C(=O)/C(=C/c2ccc(OC(F)F)c(Br)c2)c2ccccc21 ZINC000768267887 873198965 /nfs/dbraw/zinc/19/89/65/873198965.db2.gz XSNSGEGYKNKXBT-KPKJPENVSA-N -1 3 394.171 3.861 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)CC2 ZINC001196551975 873204902 /nfs/dbraw/zinc/20/49/02/873204902.db2.gz GDAQIPMHMPPINX-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000122772014 882704229 /nfs/dbraw/zinc/70/42/29/882704229.db2.gz ZHWJDRKWSXJCMZ-KBPBESRZSA-N -1 3 398.406 3.819 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC001196699094 873309391 /nfs/dbraw/zinc/30/93/91/873309391.db2.gz GTTAZGGWTSEFNP-SFHVURJKSA-N -1 3 397.475 3.789 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)cc1 ZINC000061194245 882726553 /nfs/dbraw/zinc/72/65/53/882726553.db2.gz LCAPKPPREKJJAF-UHFFFAOYSA-N -1 3 390.505 3.723 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001196938984 873488041 /nfs/dbraw/zinc/48/80/41/873488041.db2.gz KRNZBECCLPQFSX-UHFFFAOYSA-N -1 3 389.765 3.714 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001196938984 873488046 /nfs/dbraw/zinc/48/80/46/873488046.db2.gz KRNZBECCLPQFSX-UHFFFAOYSA-N -1 3 389.765 3.714 20 0 GHADHM O=C(Cc1nc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[n-]1)c1ccccc1 ZINC001196963436 873501691 /nfs/dbraw/zinc/50/16/91/873501691.db2.gz ZJUKENWZCSZMOW-UHFFFAOYSA-N -1 3 389.390 3.617 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC001197037040 873559586 /nfs/dbraw/zinc/55/95/86/873559586.db2.gz PSWOPLJENSTUIW-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)c1[O-] ZINC000537644797 882739007 /nfs/dbraw/zinc/73/90/07/882739007.db2.gz SLZNZMWLZFYJTL-UHFFFAOYSA-N -1 3 391.427 3.863 20 0 GHADHM CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000768891641 873651631 /nfs/dbraw/zinc/65/16/31/873651631.db2.gz NATASEWCIJKFJD-LJQANCHMSA-N -1 3 380.362 3.876 20 0 GHADHM CO[C@H](C)CC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001211903002 873730863 /nfs/dbraw/zinc/73/08/63/873730863.db2.gz JKSBPZRWCMWNGY-SNVBAGLBSA-N -1 3 394.440 3.532 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)OCCc3ccccc3)c2)n1 ZINC000448725859 873821920 /nfs/dbraw/zinc/82/19/20/873821920.db2.gz QHOLGYZNFIRHDB-MRXNPFEDSA-N -1 3 391.471 3.998 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001197459499 873843164 /nfs/dbraw/zinc/84/31/64/873843164.db2.gz LODKGKIOPJEBPW-SECBINFHSA-N -1 3 399.373 3.662 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001197459499 873843166 /nfs/dbraw/zinc/84/31/66/873843166.db2.gz LODKGKIOPJEBPW-SECBINFHSA-N -1 3 399.373 3.662 20 0 GHADHM CN1Cc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O ZINC001197529738 873859483 /nfs/dbraw/zinc/85/94/83/873859483.db2.gz VKYFDRREAYKBGF-UHFFFAOYSA-N -1 3 385.272 3.521 20 0 GHADHM CCc1cc(Br)ncc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197567050 873905845 /nfs/dbraw/zinc/90/58/45/873905845.db2.gz CNFFJFTWCDNPHI-UHFFFAOYSA-N -1 3 391.237 3.627 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](OC)c3cccc(OC)c3)nc2)n1 ZINC000528069991 873934365 /nfs/dbraw/zinc/93/43/65/873934365.db2.gz NTNAMURFEVQPGD-SFHVURJKSA-N -1 3 380.448 3.615 20 0 GHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000769317147 873962182 /nfs/dbraw/zinc/96/21/82/873962182.db2.gz AZXYAARZQMIBMH-WMLDXEAASA-N -1 3 384.517 3.553 20 0 GHADHM O=C(Nc1cc(Cl)nc2ccnn21)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708434 873993408 /nfs/dbraw/zinc/99/34/08/873993408.db2.gz XMQYMCOVFSPGIL-UHFFFAOYSA-N -1 3 394.818 3.920 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1F ZINC001197753085 874029856 /nfs/dbraw/zinc/02/98/56/874029856.db2.gz DLLRTCFRUBQGCQ-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccnc(Cl)c1C(F)(F)F ZINC001197791731 874051446 /nfs/dbraw/zinc/05/14/46/874051446.db2.gz PSINRDOCIHMBDN-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM CC(C)c1ccc2c(Cl)c(C(=O)N(CCN(C)C)CC(=O)[O-])sc2c1 ZINC000769449823 874078475 /nfs/dbraw/zinc/07/84/75/874078475.db2.gz JFTSVEBUPJPKPM-UHFFFAOYSA-N -1 3 382.913 3.767 20 0 GHADHM CNC(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000769651349 874214671 /nfs/dbraw/zinc/21/46/71/874214671.db2.gz HCAKMNMYKKMYNA-UHFFFAOYSA-N -1 3 376.412 3.583 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001198067686 874218199 /nfs/dbraw/zinc/21/81/99/874218199.db2.gz STRUENVVMVHMEB-UHFFFAOYSA-N -1 3 389.814 3.981 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1Cl ZINC000541763617 874230679 /nfs/dbraw/zinc/23/06/79/874230679.db2.gz PZLHWWSXKLXPSY-LLVKDONJSA-N -1 3 398.670 3.798 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc3ccsc32)cc1OC ZINC000464650609 874236538 /nfs/dbraw/zinc/23/65/38/874236538.db2.gz ONZLLRBXYFATMC-UHFFFAOYSA-N -1 3 390.486 3.924 20 0 GHADHM CCN(CC1CCN(C(=O)c2ccc(OC)cc2[O-])CC1)C(=O)OC(C)(C)C ZINC000769934622 874375444 /nfs/dbraw/zinc/37/54/44/874375444.db2.gz YVMPCTDKMGKSIA-UHFFFAOYSA-N -1 3 392.496 3.510 20 0 GHADHM Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c2)n1 ZINC001198370987 874376753 /nfs/dbraw/zinc/37/67/53/874376753.db2.gz IVVQJUALMYCZNJ-LLVKDONJSA-N -1 3 393.373 3.509 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000769978030 874384569 /nfs/dbraw/zinc/38/45/69/874384569.db2.gz KXKIJYBISJGGGN-QGZVFWFLSA-N -1 3 397.452 3.558 20 0 GHADHM COc1ccc2nc(C(=O)Oc3cccc(-c4nc(C)cc(=O)[n-]4)c3)ccc2c1 ZINC000770139284 874489120 /nfs/dbraw/zinc/48/91/20/874489120.db2.gz RIMQXWRTLCPQAC-UHFFFAOYSA-N -1 3 387.395 3.934 20 0 GHADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccsc1 ZINC000669919547 874575271 /nfs/dbraw/zinc/57/52/71/874575271.db2.gz WEPVHIRLBCLJJF-NSHDSACASA-N -1 3 393.465 3.507 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1cccc(C)c1C ZINC000770293803 874582048 /nfs/dbraw/zinc/58/20/48/874582048.db2.gz UANKXKICZPGNNG-HSNDNRACSA-N -1 3 391.464 3.637 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc([S@](C)=O)c3)nc(=O)c2c1C ZINC000770608372 874791702 /nfs/dbraw/zinc/79/17/02/874791702.db2.gz JAQIINSYCQKNLG-ZHZWEUQESA-N -1 3 390.486 3.669 20 0 GHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccccc1Br ZINC000775936433 874796902 /nfs/dbraw/zinc/79/69/02/874796902.db2.gz ZPJXXOKFRGAQFX-VIFPVBQESA-N -1 3 398.640 3.992 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1OC ZINC000192323789 882886584 /nfs/dbraw/zinc/88/65/84/882886584.db2.gz YQZQZZBHHQPSBY-UHFFFAOYSA-N -1 3 382.869 3.671 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000528863666 875168882 /nfs/dbraw/zinc/16/88/82/875168882.db2.gz OVJVTSSQSUXULB-MRXNPFEDSA-N -1 3 375.266 3.871 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000303183341 875201167 /nfs/dbraw/zinc/20/11/67/875201167.db2.gz KRJDJGKKCKKFTM-HNNXBMFYSA-N -1 3 390.933 3.902 20 0 GHADHM [O-]c1cc(I)ccc1NC(=S)NCC1CCCCC1 ZINC001199927701 875245440 /nfs/dbraw/zinc/24/54/40/875245440.db2.gz DETOMTKHZCLENC-UHFFFAOYSA-N -1 3 390.290 3.864 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3coc4cc(O)ccc34)nc(=O)c2c1C ZINC000005312992 875333660 /nfs/dbraw/zinc/33/36/60/875333660.db2.gz OPLHDKQRJAFBOZ-SNVBAGLBSA-N -1 3 398.440 3.900 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000465298743 875447251 /nfs/dbraw/zinc/44/72/51/875447251.db2.gz ZEDPQMGSJBDRFY-GOEBONIOSA-N -1 3 390.480 3.887 20 0 GHADHM Cc1ncc(CNC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c(=O)[n-]1 ZINC000542386721 875486059 /nfs/dbraw/zinc/48/60/59/875486059.db2.gz HNLNBSAXDMDDBL-UHFFFAOYSA-N -1 3 383.835 3.653 20 0 GHADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000511243886 875551544 /nfs/dbraw/zinc/55/15/44/875551544.db2.gz QZTPYANDYADXDZ-UHFFFAOYSA-N -1 3 398.278 3.638 20 0 GHADHM CN(C[C@@H]1CC=CCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000542428901 875557160 /nfs/dbraw/zinc/55/71/60/875557160.db2.gz UPRRSILRMYHGEP-GFCCVEGCSA-N -1 3 375.266 3.719 20 0 GHADHM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)cc2C1 ZINC001201624610 875798298 /nfs/dbraw/zinc/79/82/98/875798298.db2.gz HAGOUNVLMARGFX-UHFFFAOYSA-N -1 3 395.484 3.663 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CNC(=O)N3C)c(C)c1C ZINC001201798927 875865892 /nfs/dbraw/zinc/86/58/92/875865892.db2.gz DJSIBPKANBVXJT-UHFFFAOYSA-N -1 3 387.505 3.689 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2F)c(C)c1C ZINC001201799960 875867344 /nfs/dbraw/zinc/86/73/44/875867344.db2.gz XILOJEPEOJQXSI-UHFFFAOYSA-N -1 3 399.509 3.572 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1Cl)c1cccc(F)c1Br ZINC001201787506 875884117 /nfs/dbraw/zinc/88/41/17/875884117.db2.gz CVJBGIWTQZSWOH-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000172776663 875914681 /nfs/dbraw/zinc/91/46/81/875914681.db2.gz XEBBVHVVFMQLPD-UHFFFAOYSA-N -1 3 380.901 3.911 20 0 GHADHM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000772431939 875956591 /nfs/dbraw/zinc/95/65/91/875956591.db2.gz DKZORBUDBKXJGF-GFCCVEGCSA-N -1 3 386.901 3.727 20 0 GHADHM O=C(OCCCF)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785532796 876090334 /nfs/dbraw/zinc/09/03/34/876090334.db2.gz ZQOPXMRQWZVIKU-UHFFFAOYSA-N -1 3 389.807 3.796 20 0 GHADHM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CC3)c1 ZINC000450222067 876109702 /nfs/dbraw/zinc/10/97/02/876109702.db2.gz ZFHCGJZMRHJLHS-AWEZNQCLSA-N -1 3 382.851 3.814 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)c(F)c1 ZINC000192740143 883004235 /nfs/dbraw/zinc/00/42/35/883004235.db2.gz BFYQYXLPPPOIFC-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)co2)cc1 ZINC000173095790 876163967 /nfs/dbraw/zinc/16/39/67/876163967.db2.gz YQICZRIIBBBQJX-UHFFFAOYSA-N -1 3 396.390 3.588 20 0 GHADHM CC(=O)Nc1cccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1C ZINC000785887999 876296586 /nfs/dbraw/zinc/29/65/86/876296586.db2.gz YEKZOGZDPXGDCC-UHFFFAOYSA-N -1 3 377.400 3.644 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1coc(C2CCOCC2)n1 ZINC000669945359 876341438 /nfs/dbraw/zinc/34/14/38/876341438.db2.gz BGBMQJXAMMXPSF-UHFFFAOYSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000786030035 876416533 /nfs/dbraw/zinc/41/65/33/876416533.db2.gz AHMMHHXZSXIXAI-NSHDSACASA-N -1 3 383.429 3.575 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000786030357 876416652 /nfs/dbraw/zinc/41/66/52/876416652.db2.gz YXHCTLQBISEYLV-AUUYWEPGSA-N -1 3 382.416 3.582 20 0 GHADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786033683 876419868 /nfs/dbraw/zinc/41/98/68/876419868.db2.gz RXPQTXXULDOISJ-UHFFFAOYSA-N -1 3 392.415 3.667 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3[C@H](O)C(F)(F)F)c[n-]c12 ZINC000804537963 883028064 /nfs/dbraw/zinc/02/80/64/883028064.db2.gz IQXVUCZTFYMDSL-KRWDZBQOSA-N -1 3 394.324 3.824 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000786096741 876440330 /nfs/dbraw/zinc/44/03/30/876440330.db2.gz RFJKQCDDDIXUBL-UHFFFAOYSA-N -1 3 391.349 3.683 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000786138978 876467919 /nfs/dbraw/zinc/46/79/19/876467919.db2.gz FOIWDFXLRFDLCT-WBMJQRKESA-N -1 3 397.452 3.792 20 0 GHADHM O=C([N-]c1nc(-c2sccc2Br)cs1)c1cccc[n+]1[O-] ZINC000108891100 876531184 /nfs/dbraw/zinc/53/11/84/876531184.db2.gz IDGYCTUDYAXFCO-UHFFFAOYSA-N -1 3 382.264 3.520 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613984 883038722 /nfs/dbraw/zinc/03/87/22/883038722.db2.gz YFICHGKPYVFLSD-DAFODLJHSA-N -1 3 383.330 3.738 20 0 GHADHM O=C(C=Cc1csc(C(F)(F)F)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613984 883038744 /nfs/dbraw/zinc/03/87/44/883038744.db2.gz YFICHGKPYVFLSD-DAFODLJHSA-N -1 3 383.330 3.738 20 0 GHADHM COc1cccc([C@H]2CN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2(C)C)c1 ZINC000529725893 876605606 /nfs/dbraw/zinc/60/56/06/876605606.db2.gz AFWQREUURMSHOB-LJQANCHMSA-N -1 3 382.460 3.625 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000786466723 876728806 /nfs/dbraw/zinc/72/88/06/876728806.db2.gz VDVBBSAFVPQYIN-CQSZACIVSA-N -1 3 397.175 3.565 20 0 GHADHM Cc1cc(C)cc([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c1 ZINC000850576382 877044558 /nfs/dbraw/zinc/04/45/58/877044558.db2.gz MYWFHUZVCVZLAY-HNNXBMFYSA-N -1 3 386.496 3.675 20 0 GHADHM Cc1cc2c(c(C)c1)[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)CC2 ZINC000850576072 877044771 /nfs/dbraw/zinc/04/47/71/877044771.db2.gz GUMNFZPNMQEQST-KRWDZBQOSA-N -1 3 398.507 3.601 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1 ZINC000109425244 877077487 /nfs/dbraw/zinc/07/74/87/877077487.db2.gz ZYUSSNDYIAJUFZ-UHFFFAOYSA-N -1 3 393.484 3.820 20 0 GHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000787022135 877099032 /nfs/dbraw/zinc/09/90/32/877099032.db2.gz LZTLLGRIEZVXGI-YOEHRIQHSA-N -1 3 394.487 3.616 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787023254 877100427 /nfs/dbraw/zinc/10/04/27/877100427.db2.gz YSOMVFLXIACBCP-UHFFFAOYSA-N -1 3 394.487 3.806 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000787119064 877161331 /nfs/dbraw/zinc/16/13/31/877161331.db2.gz NFAXZMVWFPUYBL-HOCLYGCPSA-N -1 3 376.497 3.720 20 0 GHADHM COc1ccc2[nH]cc(CC(=O)[N-]OCc3ccc(C(F)(F)F)cc3)c2c1 ZINC000152189209 877198189 /nfs/dbraw/zinc/19/81/89/877198189.db2.gz YNVPROAOASTQDL-UHFFFAOYSA-N -1 3 378.350 3.986 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1CCSCC1 ZINC000136679906 877301592 /nfs/dbraw/zinc/30/15/92/877301592.db2.gz YLQJVJXSHALHAT-UHFFFAOYSA-N -1 3 396.456 3.549 20 0 GHADHM CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000136802041 877395189 /nfs/dbraw/zinc/39/51/89/877395189.db2.gz MVXOHIGUNGTPJJ-CYBMUJFWSA-N -1 3 385.464 3.612 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000136993941 877481265 /nfs/dbraw/zinc/48/12/65/877481265.db2.gz RFISNPVSNXBVCH-OAQYLSRUSA-N -1 3 385.427 3.549 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000136993941 877481268 /nfs/dbraw/zinc/48/12/68/877481268.db2.gz RFISNPVSNXBVCH-OAQYLSRUSA-N -1 3 385.427 3.549 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC/C=C\c2ccc(Cl)cc2)ccc1F ZINC000787681848 877551985 /nfs/dbraw/zinc/55/19/85/877551985.db2.gz OPYLSSNNXNMZBU-IHWYPQMZSA-N -1 3 383.828 3.721 20 0 GHADHM Cc1sc(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)nc1C(C)C ZINC000451192357 877554771 /nfs/dbraw/zinc/55/47/71/877554771.db2.gz SSWSXASNKAMCRQ-UHFFFAOYSA-N -1 3 376.906 3.987 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000615137961 877614464 /nfs/dbraw/zinc/61/44/64/877614464.db2.gz QJXOISZGXFHCFU-UHFFFAOYSA-N -1 3 381.432 3.905 20 0 GHADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000551679636 877655718 /nfs/dbraw/zinc/65/57/18/877655718.db2.gz JNDXMHUPSDIOAI-QMMMGPOBSA-N -1 3 392.428 3.554 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000787847135 877665875 /nfs/dbraw/zinc/66/58/75/877665875.db2.gz XZXBMCCUXPYOOH-AEFFLSMTSA-N -1 3 377.456 3.578 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000787848097 877668379 /nfs/dbraw/zinc/66/83/79/877668379.db2.gz KXIZGNSTBMHARY-ZDUSSCGKSA-N -1 3 377.387 3.872 20 0 GHADHM Cc1c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)sc2cccc(F)c12 ZINC000007933741 877798872 /nfs/dbraw/zinc/79/88/72/877798872.db2.gz JNUHDBXQDIZLFZ-UHFFFAOYSA-N -1 3 377.418 3.524 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1sccc1OC(F)F ZINC000175827567 877924594 /nfs/dbraw/zinc/92/45/94/877924594.db2.gz NHYAHEBZHXMPCW-UHFFFAOYSA-N -1 3 384.795 3.895 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1Oc1c(C)cccc1C ZINC000477624767 877939445 /nfs/dbraw/zinc/93/94/45/877939445.db2.gz BEKYHFXUQZXKMO-UHFFFAOYSA-N -1 3 381.388 3.558 20 0 GHADHM COc1ccccc1N1CC[C@H](CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000788296886 877975380 /nfs/dbraw/zinc/97/53/80/877975380.db2.gz REEQPPOSXUGMDG-CQSZACIVSA-N -1 3 382.485 3.872 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)c2cccs2)CC1 ZINC000537732559 878209362 /nfs/dbraw/zinc/20/93/62/878209362.db2.gz ZHPBMAIHLYZDKZ-AWEZNQCLSA-N -1 3 380.460 3.935 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1OC ZINC000176706870 878365469 /nfs/dbraw/zinc/36/54/69/878365469.db2.gz LRKMTXUYFSLLMH-UHFFFAOYSA-N -1 3 393.358 3.971 20 0 GHADHM O=c1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000852598776 878452705 /nfs/dbraw/zinc/45/27/05/878452705.db2.gz YUMIHLSUDMTCSC-FZKQIMNGSA-N -1 3 377.868 3.933 20 0 GHADHM COc1ccc2c(c1)C(C)(C)C[C@@H]2Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000788986784 878495016 /nfs/dbraw/zinc/49/50/16/878495016.db2.gz ZGBZVGMOAYBXFX-SFHVURJKSA-N -1 3 390.505 3.910 20 0 GHADHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]NC(=O)c1ccc(Cl)cc1 ZINC000180108924 878499460 /nfs/dbraw/zinc/49/94/60/878499460.db2.gz MICIRVFMNCHYGR-UHFFFAOYSA-N -1 3 393.852 3.824 20 0 GHADHM CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1-c1ccco1 ZINC000008619923 878815632 /nfs/dbraw/zinc/81/56/32/878815632.db2.gz NSPYLSPQVJVVIT-UHFFFAOYSA-N -1 3 383.429 3.971 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3CC(=O)c4ccccc43)nc(=O)c2c1C ZINC000789301663 878816985 /nfs/dbraw/zinc/81/69/85/878816985.db2.gz BNAWSVGYMOPQDU-QMTHXVAHSA-N -1 3 382.441 3.988 20 0 GHADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1cc(F)ccc1Cl ZINC000452074927 878902465 /nfs/dbraw/zinc/90/24/65/878902465.db2.gz BCCVFLKUQWWJCJ-OAHLLOKOSA-N -1 3 389.901 3.723 20 0 GHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(Br)cc3[O-])ccn2)C1 ZINC000530988288 878908751 /nfs/dbraw/zinc/90/87/51/878908751.db2.gz GTHLRDHIBHCOBW-LLVKDONJSA-N -1 3 376.254 3.648 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(CC(C)C)C2CCCC2)cc1OC ZINC000531018680 878925599 /nfs/dbraw/zinc/92/55/99/878925599.db2.gz DZWXFHLTPLAMKL-UHFFFAOYSA-N -1 3 397.541 3.889 20 0 GHADHM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(F)ccc1[O-] ZINC000531135525 879197127 /nfs/dbraw/zinc/19/71/27/879197127.db2.gz YNTKDCSAASUAOK-SJAGGWKPSA-N -1 3 388.483 3.827 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1[O-] ZINC000531116556 879201606 /nfs/dbraw/zinc/20/16/06/879201606.db2.gz SOIQJHIQFXTYNQ-OAHLLOKOSA-N -1 3 399.466 3.768 20 0 GHADHM COc1ccc(SC)c(OC)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538318080 879245725 /nfs/dbraw/zinc/24/57/25/879245725.db2.gz XSPJUFWGLTXSPV-UHFFFAOYSA-N -1 3 383.473 3.798 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000111557957 879254882 /nfs/dbraw/zinc/25/48/82/879254882.db2.gz YYVVGBNNFUQUHV-FQEVSTJZSA-N -1 3 381.435 3.711 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789741861 879257897 /nfs/dbraw/zinc/25/78/97/879257897.db2.gz GQVNZQAIGYZQIZ-OAHLLOKOSA-N -1 3 392.496 3.700 20 0 GHADHM CCc1cccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1[O-] ZINC000531194062 879288652 /nfs/dbraw/zinc/28/86/52/879288652.db2.gz PRWZSYUHQOXHPT-UHFFFAOYSA-N -1 3 387.549 3.667 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc(-c2ccccc2)cs1 ZINC000111616247 879303472 /nfs/dbraw/zinc/30/34/72/879303472.db2.gz XVYOQVNSMGLBND-GFCCVEGCSA-N -1 3 376.441 3.538 20 0 GHADHM Cc1nc(C)c(CC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c(=O)[n-]1 ZINC000461185026 879337753 /nfs/dbraw/zinc/33/77/53/879337753.db2.gz IPIFUPCVKAFKIB-UHFFFAOYSA-N -1 3 399.397 3.728 20 0 GHADHM CCOc1ccc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000009033329 879354025 /nfs/dbraw/zinc/35/40/25/879354025.db2.gz LEOZZMQBNYXOQE-LBPRGKRZSA-N -1 3 386.473 3.847 20 0 GHADHM COc1ccc(Cn2cc([N-]S(=O)(=O)/C=C/c3ccc(C)cc3)cn2)cc1 ZINC000790088426 879455830 /nfs/dbraw/zinc/45/58/30/879455830.db2.gz BLDMUOYFKVISIF-VAWYXSNFSA-N -1 3 383.473 3.661 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C2CC2)cn1 ZINC000531269436 879491170 /nfs/dbraw/zinc/49/11/70/879491170.db2.gz SXDOMFXYPRVUFW-UHFFFAOYSA-N -1 3 399.394 3.602 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493663422 879568731 /nfs/dbraw/zinc/56/87/31/879568731.db2.gz WKXJFUAGLRJHIL-SNVBAGLBSA-N -1 3 392.702 3.995 20 0 GHADHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493905409 879706813 /nfs/dbraw/zinc/70/68/13/879706813.db2.gz HSGIWXYIUMCLBF-AWEZNQCLSA-N -1 3 398.750 3.568 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000790451165 879733620 /nfs/dbraw/zinc/73/36/20/879733620.db2.gz QZFHYNSUNLEJMR-BBRMVZONSA-N -1 3 381.929 3.587 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OCC(F)(F)F)c3)nc21 ZINC000494096159 879883232 /nfs/dbraw/zinc/88/32/32/879883232.db2.gz HCTCSAWJXZEKIY-UHFFFAOYSA-N -1 3 393.321 3.543 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3ccc(Cl)cc3)nc21 ZINC000494070683 879894216 /nfs/dbraw/zinc/89/42/16/879894216.db2.gz BSDAWPSNCABBFR-UHFFFAOYSA-N -1 3 375.837 3.734 20 0 GHADHM CC(C)=CCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000791002380 880127787 /nfs/dbraw/zinc/12/77/87/880127787.db2.gz HBDDZJYOIRYOEI-UHFFFAOYSA-N -1 3 391.320 3.520 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](c4cccs4)C3)cc2)cc(=O)[n-]1 ZINC000531604377 880168867 /nfs/dbraw/zinc/16/88/67/880168867.db2.gz OMQLMFZNYRLDTF-KRWDZBQOSA-N -1 3 396.472 3.825 20 0 GHADHM CCc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cn2)c1 ZINC000286026526 912541616 /nfs/dbraw/zinc/54/16/16/912541616.db2.gz QCEJJBNGFNCVLH-AWEZNQCLSA-N -1 3 379.338 3.814 20 0 GHADHM COc1cc(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000776772554 880203763 /nfs/dbraw/zinc/20/37/63/880203763.db2.gz RCZDXCAGDAUBMB-LBPRGKRZSA-N -1 3 391.424 3.531 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3nc(C4CC4)cs3)cc2)cc(=O)[n-]1 ZINC000531697591 880321719 /nfs/dbraw/zinc/32/17/19/880321719.db2.gz RKCOXQTUGXIRQE-UHFFFAOYSA-N -1 3 381.461 3.813 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000791374851 880356938 /nfs/dbraw/zinc/35/69/38/880356938.db2.gz URTOSAMUFYPGOV-GFCCVEGCSA-N -1 3 376.478 3.688 20 0 GHADHM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc2sccc2c([O-])c1 ZINC000791378830 880358630 /nfs/dbraw/zinc/35/86/30/880358630.db2.gz CIENCAVSJYOJMB-OAHLLOKOSA-N -1 3 386.860 3.796 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3cn(C)c4ccccc34)nc21 ZINC000185301810 880536302 /nfs/dbraw/zinc/53/63/02/880536302.db2.gz JLLGDENCBNAAMF-LBPRGKRZSA-N -1 3 376.416 3.583 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccccn1 ZINC000185540771 880613995 /nfs/dbraw/zinc/61/39/95/880613995.db2.gz MWMGNRBVJZQXJQ-LJQANCHMSA-N -1 3 386.448 3.606 20 0 GHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1Cl ZINC000186176961 880813277 /nfs/dbraw/zinc/81/32/77/880813277.db2.gz ARTAOCQDHYIVHX-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000186416024 880881190 /nfs/dbraw/zinc/88/11/90/880881190.db2.gz LRGQLZVTWMIURA-MGPUTAFESA-N -1 3 378.900 3.905 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1Cl ZINC000532022221 880896595 /nfs/dbraw/zinc/89/65/95/880896595.db2.gz MTAPANOGKDVROS-UHFFFAOYSA-N -1 3 387.798 3.840 20 0 GHADHM CC(C)=C[C@@H]1[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1(C)C ZINC000643325580 912630352 /nfs/dbraw/zinc/63/03/52/912630352.db2.gz UVMJVKCUFULCMS-MWLCHTKSSA-N -1 3 394.235 3.807 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn(-c4cccnc4)c3)nc(=O)c2c1C ZINC000792211968 881005243 /nfs/dbraw/zinc/00/52/43/881005243.db2.gz BKMZZWPBLOXGAN-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM CCCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170984 881010008 /nfs/dbraw/zinc/01/00/08/881010008.db2.gz GDEPUBKOZZLBAN-HZPDHXFCSA-N -1 3 384.442 3.876 20 0 GHADHM CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1cc([O-])c3ccccc3c1)C2 ZINC000856183260 881023895 /nfs/dbraw/zinc/02/38/95/881023895.db2.gz BBDWTCOLVLSZGY-UHFFFAOYSA-N -1 3 382.460 3.675 20 0 GHADHM CC(C)CN1CCC2(CCN(Cc3cccc([O-])c3Br)CC2)C1=O ZINC001275212513 912645513 /nfs/dbraw/zinc/64/55/13/912645513.db2.gz JPIZVWMXZBZPIE-UHFFFAOYSA-N -1 3 395.341 3.625 20 0 GHADHM COc1ccc(C=CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1OC ZINC000792482672 881138332 /nfs/dbraw/zinc/13/83/32/881138332.db2.gz PGBURKWUECAVNH-NTMALXAHSA-N -1 3 390.399 3.887 20 0 GHADHM COc1ccc(C=CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1OC ZINC000792482672 881138346 /nfs/dbraw/zinc/13/83/46/881138346.db2.gz PGBURKWUECAVNH-NTMALXAHSA-N -1 3 390.399 3.887 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(Cl)c3)n2)cc1F ZINC000532112668 881174048 /nfs/dbraw/zinc/17/40/48/881174048.db2.gz FSGOCRGGMOBJEI-LLVKDONJSA-N -1 3 395.843 3.877 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)o1 ZINC000640292937 881299091 /nfs/dbraw/zinc/29/90/91/881299091.db2.gz QKQBKXKZPCPOIS-SCZZXKLOSA-N -1 3 376.766 3.559 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000551035959 883124474 /nfs/dbraw/zinc/12/44/74/883124474.db2.gz IILBKICQUFZVJF-UHFFFAOYSA-N -1 3 393.270 3.620 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000551049221 883171452 /nfs/dbraw/zinc/17/14/52/883171452.db2.gz IKDDAPATLOORPL-PKOBYXMFSA-N -1 3 392.459 3.643 20 0 GHADHM O=S(=O)([N-]Cc1nccc2ccccc21)c1cc(Br)ccc1F ZINC000195416426 883335126 /nfs/dbraw/zinc/33/51/26/883335126.db2.gz RUDNQXNFYBJNCN-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(Br)cc21 ZINC000747223898 883476973 /nfs/dbraw/zinc/47/69/73/883476973.db2.gz JTBMKDGNVJWFTI-UHFFFAOYSA-N -1 3 376.254 3.579 20 0 GHADHM COc1ccc(-c2nnc([N-]C(=O)c3ccoc3Br)s2)cc1 ZINC000193773207 883487783 /nfs/dbraw/zinc/48/77/83/883487783.db2.gz KRFOGGYUMNSQNV-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000804931689 883496385 /nfs/dbraw/zinc/49/63/85/883496385.db2.gz QECYSGCOQDKCSV-CQSZACIVSA-N -1 3 376.478 3.736 20 0 GHADHM O=S(=O)([N-]CCc1csc(-c2ccccc2)n1)c1cnc(Cl)c(F)c1 ZINC000805031504 883543042 /nfs/dbraw/zinc/54/30/42/883543042.db2.gz IBOFCNZCIANPLT-UHFFFAOYSA-N -1 3 397.884 3.519 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130087969 883609064 /nfs/dbraw/zinc/60/90/64/883609064.db2.gz VWYIDIYMGZJJFH-RRFJBIMHSA-N -1 3 382.426 3.695 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(SC(F)(F)F)c1 ZINC000885765077 883714724 /nfs/dbraw/zinc/71/47/24/883714724.db2.gz AVIMOQPPRQMGNI-ZETCQYMHSA-N -1 3 384.426 3.500 20 0 GHADHM CC(C)(C)CC(=O)COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000805399264 883788889 /nfs/dbraw/zinc/78/88/89/883788889.db2.gz QLSGNOZIOPHBGL-HXUWFJFHSA-N -1 3 397.471 3.802 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CC3(C(F)(F)F)CCCC3)cc21 ZINC000859393018 883791019 /nfs/dbraw/zinc/79/10/19/883791019.db2.gz NOMIMNXBGMMBEJ-UHFFFAOYSA-N -1 3 395.830 3.870 20 0 GHADHM CCCCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000136322248 883793138 /nfs/dbraw/zinc/79/31/38/883793138.db2.gz LWOROIRCELOGQA-UHFFFAOYSA-N -1 3 381.476 3.725 20 0 GHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000194726301 883910128 /nfs/dbraw/zinc/91/01/28/883910128.db2.gz RAPJWZCUEZNNPN-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000475797901 883929535 /nfs/dbraw/zinc/92/95/35/883929535.db2.gz MXCFXZJHCYEMCN-UHFFFAOYSA-N -1 3 391.390 3.667 20 0 GHADHM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000053395857 884051896 /nfs/dbraw/zinc/05/18/96/884051896.db2.gz RBIIEHAHWVHHTA-UZLBHIALSA-N -1 3 396.487 3.661 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c([O-])c1 ZINC000190321744 884067428 /nfs/dbraw/zinc/06/74/28/884067428.db2.gz KGFPWZDSQRWJAG-UHFFFAOYSA-N -1 3 386.496 3.763 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000024894457 884087791 /nfs/dbraw/zinc/08/77/91/884087791.db2.gz SNMFPHVYXMIYOR-UHFFFAOYSA-N -1 3 391.836 3.619 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000476175592 884200282 /nfs/dbraw/zinc/20/02/82/884200282.db2.gz VLQUWPMUTMWGOU-SNVBAGLBSA-N -1 3 382.313 3.542 20 0 GHADHM O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1c[n-]c2ccccc2c1=O ZINC001130455318 884260114 /nfs/dbraw/zinc/26/01/14/884260114.db2.gz BSGMBTGITIRNRV-UHFFFAOYSA-N -1 3 388.345 3.846 20 0 GHADHM COc1cccc(-c2nsc(NC([O-])=Cc3ccc4ccccc4c3)n2)c1 ZINC000476321637 884394419 /nfs/dbraw/zinc/39/44/19/884394419.db2.gz XXIBYUIDVKKTNW-UHFFFAOYSA-N -1 3 375.453 3.970 20 0 GHADHM CC(C)[C@@H]1C[C@@](NCc2cnn(CC(F)(F)F)c2)(C(=O)[O-])c2ccccc21 ZINC000556331751 884493805 /nfs/dbraw/zinc/49/38/05/884493805.db2.gz KIFUVBVWEQFOGC-YJBOKZPZSA-N -1 3 381.398 3.658 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000229172521 884527339 /nfs/dbraw/zinc/52/73/39/884527339.db2.gz DNTXRGKQRIQEIE-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(C)cc2Br)cc1OC ZINC000842029538 884602060 /nfs/dbraw/zinc/60/20/60/884602060.db2.gz FYTGCELREGUZTR-UHFFFAOYSA-N -1 3 394.265 3.565 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1C ZINC000914724909 884616448 /nfs/dbraw/zinc/61/64/48/884616448.db2.gz CMANCXIJLVPOTK-HNNXBMFYSA-N -1 3 392.496 3.620 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cccc(C)c1C ZINC000914727371 884648917 /nfs/dbraw/zinc/64/89/17/884648917.db2.gz ZOQHAZGVEZWWOE-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM CCCOc1ccc(C(=O)NCc2nc(C)cc(=O)[n-]2)c(OC2CCCC2)c1 ZINC000898262439 884683578 /nfs/dbraw/zinc/68/35/78/884683578.db2.gz WWEBGYBPEYANHF-UHFFFAOYSA-N -1 3 385.464 3.531 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000806453238 884721023 /nfs/dbraw/zinc/72/10/23/884721023.db2.gz ISNLOAQUTXUOAO-SNVBAGLBSA-N -1 3 399.285 3.596 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cncc(Br)c1 ZINC000044243457 884799805 /nfs/dbraw/zinc/79/98/05/884799805.db2.gz OWRZTJBOBFYHNF-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCOc1cc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc(Br)c1OC ZINC000263484846 884970917 /nfs/dbraw/zinc/97/09/17/884970917.db2.gz HDCRXAGGKMBIIJ-SCLBCKFNSA-N -1 3 398.297 3.543 20 0 GHADHM CC(C)CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000025328419 885186227 /nfs/dbraw/zinc/18/62/27/885186227.db2.gz KKPVQSWDWAWZMB-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM CC(C)CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000025328169 885194697 /nfs/dbraw/zinc/19/46/97/885194697.db2.gz SDXCEMOIMUDYLV-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)NCc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000666547723 885290033 /nfs/dbraw/zinc/29/00/33/885290033.db2.gz JZIXJADQQNFQQH-NRFANRHFSA-N -1 3 397.519 3.685 20 0 GHADHM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919329798 885350258 /nfs/dbraw/zinc/35/02/58/885350258.db2.gz UXGZGVFMRFFHNR-ZDUSSCGKSA-N -1 3 383.404 3.561 20 0 GHADHM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919329798 885350281 /nfs/dbraw/zinc/35/02/81/885350281.db2.gz UXGZGVFMRFFHNR-ZDUSSCGKSA-N -1 3 383.404 3.561 20 0 GHADHM CC(C)(C(=O)Nc1cc(I)ccc1[O-])c1ccccc1 ZINC000610879243 885391087 /nfs/dbraw/zinc/39/10/87/885391087.db2.gz VLVACSCUMOFJDL-UHFFFAOYSA-N -1 3 381.213 3.913 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)nc1)c1cc(Cl)ccc1C(F)(F)F ZINC000795879994 912943365 /nfs/dbraw/zinc/94/33/65/912943365.db2.gz JPCQTIHTXBUQPG-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM C[C@H](CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1c[nH]c2ccccc21 ZINC000614823595 885549797 /nfs/dbraw/zinc/54/97/97/885549797.db2.gz BWWAYQVXZHUBPW-ILXRZTDVSA-N -1 3 394.475 3.542 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)cc1Cl ZINC000104732358 885591728 /nfs/dbraw/zinc/59/17/28/885591728.db2.gz ZBTMIDLOHGWNDY-GPCCPHFNSA-N -1 3 376.881 3.541 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)cc1Cl ZINC000104738995 885594072 /nfs/dbraw/zinc/59/40/72/885594072.db2.gz MPRRQWRQRNOIOJ-UHFFFAOYSA-N -1 3 398.887 3.841 20 0 GHADHM CCC1(CC)[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C[C@@H]1OC ZINC000532467830 885623745 /nfs/dbraw/zinc/62/37/45/885623745.db2.gz HJSTWJLWBBVYSJ-ROUUACIJSA-N -1 3 384.480 3.873 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc2c(c1)CCCC2 ZINC000116951020 886001912 /nfs/dbraw/zinc/00/19/12/886001912.db2.gz WFFPPAPUMICUHP-IERDGZPVSA-N -1 3 392.499 3.753 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001184095108 912999330 /nfs/dbraw/zinc/99/93/30/912999330.db2.gz HPRWTFQZKQWFQC-QGZVFWFLSA-N -1 3 390.411 3.744 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000445271077 886109279 /nfs/dbraw/zinc/10/92/79/886109279.db2.gz ZMHPXSNCSCCQHQ-LBPRGKRZSA-N -1 3 395.415 3.866 20 0 GHADHM O=C([N-]c1nncn1Cc1ccccc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000117860701 886117923 /nfs/dbraw/zinc/11/79/23/886117923.db2.gz UVSUKDQMBSQTMY-UHFFFAOYSA-N -1 3 379.807 3.887 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 ZINC000808353703 886297875 /nfs/dbraw/zinc/29/78/75/886297875.db2.gz GCBBDBVGUIPPJT-NSHDSACASA-N -1 3 395.695 3.708 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762530329 886350123 /nfs/dbraw/zinc/35/01/23/886350123.db2.gz SQHHISUEBCHOMT-SNPRPXQTSA-N -1 3 387.523 3.538 20 0 GHADHM CC(C)c1cnc(-c2ccc(NC(=O)c3cnc4c(cnn4C)c3[O-])cc2)o1 ZINC000119263301 886504064 /nfs/dbraw/zinc/50/40/64/886504064.db2.gz ZNJFIKDQGOLNAE-UHFFFAOYSA-N -1 3 377.404 3.705 20 0 GHADHM COc1ccc(CN2CC[C@H]2CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000862755172 886583391 /nfs/dbraw/zinc/58/33/91/886583391.db2.gz INUXJVXTDPPRIC-IBGZPJMESA-N -1 3 376.456 3.558 20 0 GHADHM Cc1cc(C)cc(OCCCOC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000915426699 886624785 /nfs/dbraw/zinc/62/47/85/886624785.db2.gz FFQJMUBSQOTWTJ-FQEVSTJZSA-N -1 3 397.471 3.626 20 0 GHADHM Cc1sc(Cl)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000762841028 886849198 /nfs/dbraw/zinc/84/91/98/886849198.db2.gz JMLRFPLEBXDHOB-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC000614827050 886923601 /nfs/dbraw/zinc/92/36/01/886923601.db2.gz PJEMTOGCLMXNEV-CHWSQXEVSA-N -1 3 398.488 3.545 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1C ZINC000863427805 887100003 /nfs/dbraw/zinc/10/00/03/887100003.db2.gz HLTNOSTZBJCRPI-UHFFFAOYSA-N -1 3 380.441 3.682 20 0 GHADHM COc1cccc([C@@H](O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000863739518 887345517 /nfs/dbraw/zinc/34/55/17/887345517.db2.gz MDAQSMOVXMQAPI-IBGZPJMESA-N -1 3 375.852 3.640 20 0 GHADHM Cc1cc(C)c(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c(C)c1 ZINC000153719016 887421366 /nfs/dbraw/zinc/42/13/66/887421366.db2.gz UBOVTQZWYRDDDQ-UHFFFAOYSA-N -1 3 376.456 3.994 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c(=O)[n-]1 ZINC000762990249 887497290 /nfs/dbraw/zinc/49/72/90/887497290.db2.gz DYCBVMHKVYVREG-OAQYLSRUSA-N -1 3 391.471 3.646 20 0 GHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000794615786 887681249 /nfs/dbraw/zinc/68/12/49/887681249.db2.gz CGQQMCDDMBUZRE-FPLPWBNLSA-N -1 3 382.283 3.775 20 0 GHADHM CCOc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000054033610 887823107 /nfs/dbraw/zinc/82/31/07/887823107.db2.gz NZACQOIRVUHTRH-UHFFFAOYSA-N -1 3 396.487 3.513 20 0 GHADHM CC(C)=CC[C@H](NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC000864527775 887827933 /nfs/dbraw/zinc/82/79/33/887827933.db2.gz GJTSTZVLQZPXGC-KRWDZBQOSA-N -1 3 379.863 3.931 20 0 GHADHM COc1ccc(C[C@@H](CNCc2c(F)cc(C)cc2Cl)C(=O)[O-])cc1F ZINC000864532243 887837666 /nfs/dbraw/zinc/83/76/66/887837666.db2.gz PKGJKOLOVDVAHT-ZDUSSCGKSA-N -1 3 383.822 3.968 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)[N-]NC(=O)c2ccccc2)c(C)c1 ZINC000025318326 887881614 /nfs/dbraw/zinc/88/16/14/887881614.db2.gz GZFHTUPRBRWLCO-UHFFFAOYSA-N -1 3 377.469 3.924 20 0 GHADHM COC(=O)c1cnc(SC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[n-]1 ZINC000809962947 888003496 /nfs/dbraw/zinc/00/34/96/888003496.db2.gz GZMVUDATZFJIJL-JOCQHMNTSA-N -1 3 383.514 3.620 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000055259445 888125470 /nfs/dbraw/zinc/12/54/70/888125470.db2.gz VLKIGYFTSZOKQO-UHFFFAOYSA-N -1 3 393.418 3.901 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810067582 888155384 /nfs/dbraw/zinc/15/53/84/888155384.db2.gz WSBQIGPNZZQJPM-CABCVRRESA-N -1 3 399.457 3.529 20 0 GHADHM CCOC(=O)c1cccc(N(CC)Cc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000055925731 888327297 /nfs/dbraw/zinc/32/72/97/888327297.db2.gz MLGYPIGOKKYTMN-UHFFFAOYSA-N -1 3 391.427 3.873 20 0 GHADHM Cc1ccc(OC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1C ZINC000056016970 888334357 /nfs/dbraw/zinc/33/43/57/888334357.db2.gz JMHHJPUEEOQXSS-UHFFFAOYSA-N -1 3 376.456 3.829 20 0 GHADHM CC[C@H](C)N(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000459374006 888378212 /nfs/dbraw/zinc/37/82/12/888378212.db2.gz ITTAQPXDMQJZDY-ZDUSSCGKSA-N -1 3 379.464 3.509 20 0 GHADHM Cc1cccc(C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)COC2)c1 ZINC001184521836 913256493 /nfs/dbraw/zinc/25/64/93/913256493.db2.gz ZHHMEAALYQIARL-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM Cc1cscc1[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000794870583 888609334 /nfs/dbraw/zinc/60/93/34/888609334.db2.gz VZWYVIJJGMWYFT-UHFFFAOYSA-N -1 3 386.292 3.994 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)c2ccc(C3CCC3)cc2)s1 ZINC001132323358 888638123 /nfs/dbraw/zinc/63/81/23/888638123.db2.gz PGVPEHKVDFICON-UHFFFAOYSA-N -1 3 393.534 3.740 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)cc1 ZINC000747608770 888638193 /nfs/dbraw/zinc/63/81/93/888638193.db2.gz MZFJZBPPZDDWMO-XIEDVDOYSA-N -1 3 389.473 3.851 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123317147 888651216 /nfs/dbraw/zinc/65/12/16/888651216.db2.gz ZLLVRGBZDDPHBK-WMZOPIPTSA-N -1 3 379.378 3.511 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000123317603 888653195 /nfs/dbraw/zinc/65/31/95/888653195.db2.gz ZLLVRGBZDDPHBK-FUHWJXTLSA-N -1 3 379.378 3.511 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000123599786 913267038 /nfs/dbraw/zinc/26/70/38/913267038.db2.gz IXIYKKDAXNBGQG-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000123599786 913267054 /nfs/dbraw/zinc/26/70/54/913267054.db2.gz IXIYKKDAXNBGQG-SNVBAGLBSA-N -1 3 382.474 3.596 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)cc1OC ZINC000454306450 888808822 /nfs/dbraw/zinc/80/88/22/888808822.db2.gz CAQMHWWUUVEPJI-MAUKXSAKSA-N -1 3 397.541 3.601 20 0 GHADHM CSc1ccccc1[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000866630441 888984156 /nfs/dbraw/zinc/98/41/56/888984156.db2.gz PSJJFATWPUSITF-OAQYLSRUSA-N -1 3 393.512 3.856 20 0 GHADHM C[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000810897781 889006532 /nfs/dbraw/zinc/00/65/32/889006532.db2.gz AYYDXWSAKYJEHE-CABCVRRESA-N -1 3 392.421 3.860 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000811015652 889070955 /nfs/dbraw/zinc/07/09/55/889070955.db2.gz SXZQPLOZRWPIJE-UHFFFAOYSA-N -1 3 382.888 3.813 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3Cl)C[C@H]21 ZINC000811026666 889111016 /nfs/dbraw/zinc/11/10/16/889111016.db2.gz INLWPZRFGJXJOE-SRCQZFHVSA-N -1 3 394.899 3.811 20 0 GHADHM Cc1cccc(Br)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000811270257 889353579 /nfs/dbraw/zinc/35/35/79/889353579.db2.gz LFGKQVPETBNDDT-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM Nc1cc(Cl)cc(Cl)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000811321492 889437709 /nfs/dbraw/zinc/43/77/09/889437709.db2.gz DQAZASNCZJHURR-UHFFFAOYSA-N -1 3 380.187 3.688 20 0 GHADHM O=C(CCc1cccc2ccccc21)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000868444418 889446159 /nfs/dbraw/zinc/44/61/59/889446159.db2.gz LRRXWMGMUSJUOQ-HNNXBMFYSA-N -1 3 392.421 3.690 20 0 GHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000123975651 889468286 /nfs/dbraw/zinc/46/82/86/889468286.db2.gz YFXUUIWOYNOTOR-UHFFFAOYSA-N -1 3 376.906 3.853 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2c(ccnc2Cl)s1 ZINC000868585208 889514018 /nfs/dbraw/zinc/51/40/18/889514018.db2.gz LSHYOUSYCBISHD-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000811394241 889533366 /nfs/dbraw/zinc/53/33/66/889533366.db2.gz NOTJDRNLXKEMGC-UHFFFAOYSA-N -1 3 388.832 3.807 20 0 GHADHM CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393707 889534279 /nfs/dbraw/zinc/53/42/79/889534279.db2.gz CXCOZWNTEOFXEF-UHFFFAOYSA-N -1 3 380.828 3.837 20 0 GHADHM CC(C)(C)c1cc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)on1 ZINC000811394200 889534651 /nfs/dbraw/zinc/53/46/51/889534651.db2.gz MGGPTVIARCZDHJ-UHFFFAOYSA-N -1 3 381.841 3.964 20 0 GHADHM COc1ccc(OC)c(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394804 889536112 /nfs/dbraw/zinc/53/61/12/889536112.db2.gz JACUUJFBTLZMNP-UHFFFAOYSA-N -1 3 394.836 3.696 20 0 GHADHM Cc1cccc(C)c1-n1nnnc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395484 889537644 /nfs/dbraw/zinc/53/76/44/889537644.db2.gz GHMJKANWSPJURC-UHFFFAOYSA-N -1 3 387.852 3.832 20 0 GHADHM Cc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Br)c1 ZINC000811515493 889712309 /nfs/dbraw/zinc/71/23/09/889712309.db2.gz WCIORGKSCNVAFU-GFCCVEGCSA-N -1 3 393.247 3.648 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2OCCc2ccccc2)c(=O)[n-]1 ZINC000124752684 889748658 /nfs/dbraw/zinc/74/86/58/889748658.db2.gz KLYSLMLGAPPQKO-UHFFFAOYSA-N -1 3 391.471 3.580 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)c([O-])c1 ZINC000124772190 889755356 /nfs/dbraw/zinc/75/53/56/889755356.db2.gz SBBINXINGDSTDN-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000125271737 889932743 /nfs/dbraw/zinc/93/27/43/889932743.db2.gz MKWOTABNOABFQL-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000125271737 889932751 /nfs/dbraw/zinc/93/27/51/889932751.db2.gz MKWOTABNOABFQL-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OCc3ccccc3F)cc2)c(=O)[n-]1 ZINC000064423189 889943470 /nfs/dbraw/zinc/94/34/70/889943470.db2.gz CNRKIJBTCHGALN-UHFFFAOYSA-N -1 3 395.434 3.676 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2F)cc1 ZINC000125508712 890019252 /nfs/dbraw/zinc/01/92/52/890019252.db2.gz ZUTFEEVWVDKOFJ-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000125515501 890021834 /nfs/dbraw/zinc/02/18/34/890021834.db2.gz OZIIQZDVZOIANY-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000125515501 890021851 /nfs/dbraw/zinc/02/18/51/890021851.db2.gz OZIIQZDVZOIANY-UHFFFAOYSA-N -1 3 390.472 3.734 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000125516600 890022600 /nfs/dbraw/zinc/02/26/00/890022600.db2.gz VQPUTTMCOQVUSJ-UHFFFAOYSA-N -1 3 378.461 3.828 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000125516600 890022611 /nfs/dbraw/zinc/02/26/11/890022611.db2.gz VQPUTTMCOQVUSJ-UHFFFAOYSA-N -1 3 378.461 3.828 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000869671314 890033015 /nfs/dbraw/zinc/03/30/15/890033015.db2.gz KSPFZLGPMVXVSK-UHFFFAOYSA-N -1 3 379.382 3.831 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCCC2CCOCC2)c(-c2ccccc2)s1 ZINC001211985201 890046895 /nfs/dbraw/zinc/04/68/95/890046895.db2.gz XNORBWGPIRRUPL-UHFFFAOYSA-N -1 3 380.535 3.604 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccccc3F)n2)c1 ZINC000064781059 890066239 /nfs/dbraw/zinc/06/62/39/890066239.db2.gz HDDQCPMAVHBOAD-UHFFFAOYSA-N -1 3 394.424 3.744 20 0 GHADHM CC(C)CC[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000811883104 890085805 /nfs/dbraw/zinc/08/58/05/890085805.db2.gz PVVMUKAKQJGYRK-GJZGRUSLSA-N -1 3 393.494 3.937 20 0 GHADHM CCCC[C@@H](CCC)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811890876 890090958 /nfs/dbraw/zinc/09/09/58/890090958.db2.gz FTHCJMCXYOTUDL-CABCVRRESA-N -1 3 379.467 3.693 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000125739194 890110515 /nfs/dbraw/zinc/11/05/15/890110515.db2.gz JWIGOBYCZQKFCM-RYUDHWBXSA-N -1 3 379.913 3.897 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916729746 890140218 /nfs/dbraw/zinc/14/02/18/890140218.db2.gz GMZFCYPKCGLHQR-KBPBESRZSA-N -1 3 396.459 3.688 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC3CCC3)c2)cc1 ZINC000747771242 890389031 /nfs/dbraw/zinc/38/90/31/890389031.db2.gz URCNQFKCQQKKLC-UHFFFAOYSA-N -1 3 375.446 3.514 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000173633695 890412638 /nfs/dbraw/zinc/41/26/38/890412638.db2.gz UONINHFAGURQAJ-GFCCVEGCSA-N -1 3 395.425 3.648 20 0 GHADHM Cc1cccc(C(=O)NC2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c1 ZINC000870837009 890536201 /nfs/dbraw/zinc/53/62/01/890536201.db2.gz VCXGWDYPMGIWPY-UHFFFAOYSA-N -1 3 388.467 3.888 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000126468893 890549422 /nfs/dbraw/zinc/54/94/22/890549422.db2.gz DSDLUEKVVKYPGO-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)cc1F ZINC000126494475 890564602 /nfs/dbraw/zinc/56/46/02/890564602.db2.gz OYUFMBGJUKWRMB-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccccc2Br)cc1F ZINC000126520840 890576532 /nfs/dbraw/zinc/57/65/32/890576532.db2.gz KGQDNDUOTMZQEZ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2cc(Br)ccc2[O-])cc1F ZINC000126545958 890586443 /nfs/dbraw/zinc/58/64/43/890586443.db2.gz CDLYYDBDCBQWSK-UHFFFAOYSA-N -1 3 396.212 3.904 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000065798535 890655103 /nfs/dbraw/zinc/65/51/03/890655103.db2.gz BCLQXXVTAPDTQD-LJQANCHMSA-N -1 3 389.386 3.620 20 0 GHADHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1Cl)c1cccnc1Cl ZINC001184889650 913485945 /nfs/dbraw/zinc/48/59/45/913485945.db2.gz UKFJPYKBAWCRBV-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cnc(C(F)(F)F)nc1 ZINC000126925089 890820105 /nfs/dbraw/zinc/82/01/05/890820105.db2.gz VILHKWREVRWWHK-UHFFFAOYSA-N -1 3 383.380 3.750 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812759462 890943789 /nfs/dbraw/zinc/94/37/89/890943789.db2.gz DXOIWNHYMPEDCA-OAHLLOKOSA-N -1 3 389.455 3.956 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000127459445 891071606 /nfs/dbraw/zinc/07/16/06/891071606.db2.gz DODSAIRARLCPJZ-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000127459445 891071620 /nfs/dbraw/zinc/07/16/20/891071620.db2.gz DODSAIRARLCPJZ-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccc(F)cc1)c1cccnc1Cl ZINC001184909882 913531116 /nfs/dbraw/zinc/53/11/16/913531116.db2.gz QOFSPVNRDBEFGV-INIZCTEOSA-N -1 3 398.887 3.710 20 0 GHADHM COc1ccccc1-c1nc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)co1 ZINC000872162649 891185560 /nfs/dbraw/zinc/18/55/60/891185560.db2.gz VIYRUFUDNGYBMP-MOPGFXCFSA-N -1 3 378.428 3.650 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccc(F)cc1)c1cccnc1Cl ZINC001184909884 913530619 /nfs/dbraw/zinc/53/06/19/913530619.db2.gz QOFSPVNRDBEFGV-MRXNPFEDSA-N -1 3 398.887 3.710 20 0 GHADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137068540 891475102 /nfs/dbraw/zinc/47/51/02/891475102.db2.gz HOWPUNPBJVPOAQ-DYVFJYSZSA-N -1 3 389.293 3.989 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000614875301 891526513 /nfs/dbraw/zinc/52/65/13/891526513.db2.gz KPZHHWMNOKYTTP-UHFFFAOYSA-N -1 3 389.864 3.956 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CCOc3ccccc3)c2)n1 ZINC000813398186 891573913 /nfs/dbraw/zinc/57/39/13/891573913.db2.gz SBNIAGOOFUFCFF-KPKJPENVSA-N -1 3 375.428 3.985 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C(F)(F)c1cccc(Br)c1 ZINC001133907252 891924551 /nfs/dbraw/zinc/92/45/51/891924551.db2.gz QVJODVITIVOYLA-UHFFFAOYSA-N -1 3 383.152 3.558 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1cc2nc(Cl)ncc2s1 ZINC001185029652 913609566 /nfs/dbraw/zinc/60/95/66/913609566.db2.gz IMGYQRGGEUMUPJ-CYBMUJFWSA-N -1 3 385.923 3.836 20 0 GHADHM NC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000068226778 892066533 /nfs/dbraw/zinc/06/65/33/892066533.db2.gz MISIHHQPPNXOJI-UHFFFAOYSA-N -1 3 386.404 3.518 20 0 GHADHM CC(C)(O)[C@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000154424163 892116308 /nfs/dbraw/zinc/11/63/08/892116308.db2.gz MVKAUXNFGZRAOF-GFCCVEGCSA-N -1 3 393.119 3.653 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](c3ccccc3)N(C)CC)c2)n1 ZINC000068284448 892146047 /nfs/dbraw/zinc/14/60/47/892146047.db2.gz IVLUUPIJGKOMAM-NRFANRHFSA-N -1 3 390.487 3.631 20 0 GHADHM COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001134128143 892321961 /nfs/dbraw/zinc/32/19/61/892321961.db2.gz KKDSQXXXXGNVBO-UHFFFAOYSA-N -1 3 388.383 3.771 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1Br ZINC000497764142 892363737 /nfs/dbraw/zinc/36/37/37/892363737.db2.gz CHFRWPMGLXNBEM-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263042624 892411271 /nfs/dbraw/zinc/41/12/71/892411271.db2.gz COWBUNDBVXFNEC-INIZCTEOSA-N -1 3 378.488 3.530 20 0 GHADHM O=C(CC1(c2cccc(Cl)c2)CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC001185145457 913663444 /nfs/dbraw/zinc/66/34/44/913663444.db2.gz YEUYCHBYRHELID-UHFFFAOYSA-N -1 3 397.866 3.597 20 0 GHADHM O=C(CC1(c2cccc(Cl)c2)CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC001185145457 913663454 /nfs/dbraw/zinc/66/34/54/913663454.db2.gz YEUYCHBYRHELID-UHFFFAOYSA-N -1 3 397.866 3.597 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263174181 892462609 /nfs/dbraw/zinc/46/26/09/892462609.db2.gz SLHAEUJZSKVVGH-OKZBNKHCSA-N -1 3 382.504 3.982 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000875166283 892475602 /nfs/dbraw/zinc/47/56/02/892475602.db2.gz UNOUURVSFQZVKT-BQYQJAHWSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000875166283 892475611 /nfs/dbraw/zinc/47/56/11/892475611.db2.gz UNOUURVSFQZVKT-BQYQJAHWSA-N -1 3 384.237 3.590 20 0 GHADHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000917730557 892475504 /nfs/dbraw/zinc/47/55/04/892475504.db2.gz FSJQNLXUPMROFW-FLIBITNWSA-N -1 3 389.473 3.689 20 0 GHADHM COCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000645089688 913667924 /nfs/dbraw/zinc/66/79/24/913667924.db2.gz DPNBTGAXVZHSFO-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000497822203 892503551 /nfs/dbraw/zinc/50/35/51/892503551.db2.gz WICYFLLPQWWBLM-DLBZAZTESA-N -1 3 399.249 3.638 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](c3cccc(F)c3)C2(C)C)c([O-])c1 ZINC001170740287 892512858 /nfs/dbraw/zinc/51/28/58/892512858.db2.gz XAOTXNUYARAABU-LJQANCHMSA-N -1 3 398.478 3.754 20 0 GHADHM C[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000875391029 892587031 /nfs/dbraw/zinc/58/70/31/892587031.db2.gz LTTDHTRVXVNXOK-ZDUSSCGKSA-N -1 3 381.192 3.639 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1c(C)occ1C(F)(F)F ZINC000875549746 892681966 /nfs/dbraw/zinc/68/19/66/892681966.db2.gz RYQZJTHNIKEVRK-UHFFFAOYSA-N -1 3 388.367 3.909 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCCC1CCOCC1 ZINC000814441050 892694599 /nfs/dbraw/zinc/69/45/99/892694599.db2.gz ZROPJHYXTHJVEQ-NRFANRHFSA-N -1 3 397.471 3.613 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Cc3cccc(F)c3)c2)n1 ZINC000068792743 892757408 /nfs/dbraw/zinc/75/74/08/892757408.db2.gz WAIBXNKUQWRCSQ-CQSZACIVSA-N -1 3 379.435 3.956 20 0 GHADHM [O-]c1cccc(CNCc2cc(Br)c3c(c2)OCCO3)c1Cl ZINC000645150926 913708521 /nfs/dbraw/zinc/70/85/21/913708521.db2.gz PYBFYBAKSOVZLK-UHFFFAOYSA-N -1 3 384.657 3.869 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1Cl ZINC000498018951 893015789 /nfs/dbraw/zinc/01/57/89/893015789.db2.gz KYLSFBTYQHHRQH-UHFFFAOYSA-N -1 3 399.259 3.588 20 0 GHADHM O=C([N-]C[C@H]1CCCN(CCc2c(Cl)cccc2Cl)C1)C(F)(F)F ZINC001170755103 893027847 /nfs/dbraw/zinc/02/78/47/893027847.db2.gz GVQDLAIRDODCNO-LLVKDONJSA-N -1 3 383.241 3.926 20 0 GHADHM CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC000562965205 893227301 /nfs/dbraw/zinc/22/73/01/893227301.db2.gz XLPJYEYSVBYUQW-PZJWPPBQSA-N -1 3 393.443 3.661 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC4CCC4)cc3)nc21 ZINC001134753170 893269474 /nfs/dbraw/zinc/26/94/74/893269474.db2.gz FKRAUEZZYZYWQG-UHFFFAOYSA-N -1 3 379.416 3.923 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)Cc3ccccc3OC)nc21 ZINC001134753816 893288189 /nfs/dbraw/zinc/28/81/89/893288189.db2.gz YFYZYNSTXAFZKX-AWEZNQCLSA-N -1 3 395.459 3.956 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4c3cccc4C)nc21 ZINC001134753472 893288895 /nfs/dbraw/zinc/28/88/95/893288895.db2.gz NPOWVTAEPQTEBY-UHFFFAOYSA-N -1 3 376.416 3.711 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnc4cc(OC)ccc4c3)nc21 ZINC001134753776 893289154 /nfs/dbraw/zinc/28/91/54/893289154.db2.gz WJXVFOZUTHDXCI-UHFFFAOYSA-N -1 3 390.399 3.549 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)ccc1OC(C)C ZINC000918167398 893299990 /nfs/dbraw/zinc/29/99/90/893299990.db2.gz INEJMXIYYVDABL-UHFFFAOYSA-N -1 3 390.461 3.540 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC000815049929 893366454 /nfs/dbraw/zinc/36/64/54/893366454.db2.gz LURSOEWYKHDPNN-SSDOTTSWSA-N -1 3 399.847 3.812 20 0 GHADHM CCCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1 ZINC000187480662 893458644 /nfs/dbraw/zinc/45/86/44/893458644.db2.gz VHKUWIGUGUUGQR-ZDUSSCGKSA-N -1 3 376.819 3.745 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)c1F ZINC001185317561 913774633 /nfs/dbraw/zinc/77/46/33/913774633.db2.gz MKVHSPDUBBLIMH-WCQYABFASA-N -1 3 389.464 3.635 20 0 GHADHM COCCN(Cc1sccc1Br)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459428741 893512396 /nfs/dbraw/zinc/51/23/96/893512396.db2.gz VUQVMEUKVAACDP-UHFFFAOYSA-N -1 3 398.326 3.532 20 0 GHADHM Cc1nc(C(C)C)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000815189265 893535287 /nfs/dbraw/zinc/53/52/87/893535287.db2.gz MNFGFTJCMUBEKA-IBGZPJMESA-N -1 3 382.460 3.567 20 0 GHADHM CCC[C@@H](NCc1cccc([O-])c1Br)c1nnc2ccccn21 ZINC000459471424 893610803 /nfs/dbraw/zinc/61/08/03/893610803.db2.gz VPINIAJQVWZLPJ-CYBMUJFWSA-N -1 3 375.270 3.828 20 0 GHADHM CCOc1cc(CNc2ccc(C)c(N3CCNC3=O)c2)cc(Cl)c1[O-] ZINC000459517289 893685699 /nfs/dbraw/zinc/68/56/99/893685699.db2.gz NSLNFCUJPIVRNN-UHFFFAOYSA-N -1 3 375.856 3.894 20 0 GHADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cccc([O-])c1Br ZINC000459535936 893754287 /nfs/dbraw/zinc/75/42/87/893754287.db2.gz PILMMSIFWMGLAV-GUYCJALGSA-N -1 3 380.286 3.552 20 0 GHADHM COC(=O)c1ccc(CNCc2cccc([O-])c2Br)nc1C1CC1 ZINC000459553834 893791871 /nfs/dbraw/zinc/79/18/71/893791871.db2.gz ZOPLCPKMMAFNHV-UHFFFAOYSA-N -1 3 391.265 3.504 20 0 GHADHM Cc1cc(=NC(=O)c2cc3c(C(C)C)nn(C)c3s2)[n-]n1-c1ccccc1 ZINC000536780252 893797999 /nfs/dbraw/zinc/79/79/99/893797999.db2.gz UUUJDHIZXWBRRB-UHFFFAOYSA-N -1 3 379.489 3.927 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)c(=O)[n-]1 ZINC000536819246 893886920 /nfs/dbraw/zinc/88/69/20/893886920.db2.gz CFMIGCBJRPSCTR-JTQLQIEISA-N -1 3 380.275 3.794 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nc2c1COCC2 ZINC000877972591 893922197 /nfs/dbraw/zinc/92/21/97/893922197.db2.gz LIQICISXECRIEV-INIZCTEOSA-N -1 3 380.275 3.899 20 0 GHADHM CCCc1ccccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000129887036 894031832 /nfs/dbraw/zinc/03/18/32/894031832.db2.gz KPNQRAGUJKBKLM-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(CCCO)[C@H]2CCCc3ccccc32)o1 ZINC000878170293 894068652 /nfs/dbraw/zinc/06/86/52/894068652.db2.gz YCIAZTHWUSEQEX-IBGZPJMESA-N -1 3 379.460 3.704 20 0 GHADHM C[C@H]1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)c2cc(Cl)ccc2S1 ZINC000878265080 894140795 /nfs/dbraw/zinc/14/07/95/894140795.db2.gz LEZPFOCCLHROGB-NSHDSACASA-N -1 3 377.897 3.799 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(Cc2ccc(F)cc2)C2CCOCC2)o1 ZINC000878511245 894350315 /nfs/dbraw/zinc/35/03/15/894350315.db2.gz XJEIXKFAHCQIQO-UHFFFAOYSA-N -1 3 383.423 3.763 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(Cl)c1 ZINC000022843354 894512032 /nfs/dbraw/zinc/51/20/32/894512032.db2.gz ANWZOAOPFMWIPD-UHFFFAOYSA-N -1 3 382.844 3.715 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c2ccccc21 ZINC000935501655 894551899 /nfs/dbraw/zinc/55/18/99/894551899.db2.gz MGSUKENZMBQMBM-GFCCVEGCSA-N -1 3 388.386 3.916 20 0 GHADHM Cc1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1Cl ZINC000537216734 894579330 /nfs/dbraw/zinc/57/93/30/894579330.db2.gz XUUFSHXPAKKGJT-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM Cn1cc([C@@H]([N-]C(=O)c2ncc(C(F)(F)F)cc2Cl)C(F)(F)F)cn1 ZINC000935688476 894727893 /nfs/dbraw/zinc/72/78/93/894727893.db2.gz FWJNSVNQAZGDGK-SNVBAGLBSA-N -1 3 386.683 3.521 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC3(CCc4ccccc4O3)CC2)o1 ZINC000878994609 894769797 /nfs/dbraw/zinc/76/97/97/894769797.db2.gz VQDCQXRAJCJDEO-UHFFFAOYSA-N -1 3 377.444 3.802 20 0 GHADHM Cc1cccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000564257308 894779954 /nfs/dbraw/zinc/77/99/54/894779954.db2.gz FXYWRJXVHKZVGQ-UHFFFAOYSA-N -1 3 381.501 3.823 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3c(F)ccc([O-])c3F)C2)C1 ZINC000816600977 894963880 /nfs/dbraw/zinc/96/38/80/894963880.db2.gz NCOTXXUNRPDMTH-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM Cc1ccsc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000564455669 895003380 /nfs/dbraw/zinc/00/33/80/895003380.db2.gz AQZXUDSJSYEYEE-UHFFFAOYSA-N -1 3 395.481 3.989 20 0 GHADHM O=C([N-]c1nc(-c2ccc3c(c2)OCCO3)cs1)c1conc1C(F)(F)F ZINC000816832692 895093201 /nfs/dbraw/zinc/09/32/01/895093201.db2.gz JRDTUFFOHGEMKM-UHFFFAOYSA-N -1 3 397.334 3.840 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000826117665 895195903 /nfs/dbraw/zinc/19/59/03/895195903.db2.gz PEBZIKPFWJWSBQ-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000826117665 895195908 /nfs/dbraw/zinc/19/59/08/895195908.db2.gz PEBZIKPFWJWSBQ-CQSZACIVSA-N -1 3 394.378 3.892 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1(Cl)Cl ZINC000817141080 895350106 /nfs/dbraw/zinc/35/01/06/895350106.db2.gz HQTNYFYUJGZAEA-NSHDSACASA-N -1 3 394.654 3.804 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)(C)C)coc1C(=O)N(C)C ZINC000645592961 913983901 /nfs/dbraw/zinc/98/39/01/913983901.db2.gz QCMVKOAQGGNXFS-SFHVURJKSA-N -1 3 392.521 3.664 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000880509843 895735345 /nfs/dbraw/zinc/73/53/45/895735345.db2.gz AJZLYUSLVRFKJQ-UHFFFAOYSA-N -1 3 397.422 3.618 20 0 GHADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880514860 895736796 /nfs/dbraw/zinc/73/67/96/895736796.db2.gz XXDVBMGJYAJXGY-UHFFFAOYSA-N -1 3 386.304 3.807 20 0 GHADHM Cn1nnnc1-c1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001135995125 895855552 /nfs/dbraw/zinc/85/55/52/895855552.db2.gz ZCZHXRHSZZZFTN-UHFFFAOYSA-N -1 3 399.454 3.620 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817964012 895979758 /nfs/dbraw/zinc/97/97/58/895979758.db2.gz XAKDMAXDNPKIFV-HNNXBMFYSA-N -1 3 376.888 3.766 20 0 GHADHM O=c1nc(Cn2cc([C@@H]3CCCCO3)nn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000881069410 896118978 /nfs/dbraw/zinc/11/89/78/896118978.db2.gz BRNMHAIOPNGMSE-INIZCTEOSA-N -1 3 393.472 3.945 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000566362398 896257715 /nfs/dbraw/zinc/25/77/15/896257715.db2.gz SQFJXKASCHUXKM-YJYMSZOUSA-N -1 3 378.856 3.788 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1c(C)noc1C ZINC000882018564 896617565 /nfs/dbraw/zinc/61/75/65/896617565.db2.gz BRSDENZUJCHTLH-SNVBAGLBSA-N -1 3 397.806 3.788 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000826250208 896684460 /nfs/dbraw/zinc/68/44/60/896684460.db2.gz PJXPGGHVENZRHU-UHFFFAOYSA-N -1 3 377.448 3.887 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000826250208 896684462 /nfs/dbraw/zinc/68/44/62/896684462.db2.gz PJXPGGHVENZRHU-UHFFFAOYSA-N -1 3 377.448 3.887 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001136219115 896703141 /nfs/dbraw/zinc/70/31/41/896703141.db2.gz KWSZEOVCPAQVCX-MRXNPFEDSA-N -1 3 393.256 3.897 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])c(C)n1-c1cnn(C)c1 ZINC001136220168 896716385 /nfs/dbraw/zinc/71/63/85/896716385.db2.gz SAUBQSLJZRJZPO-UHFFFAOYSA-N -1 3 389.253 3.548 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)CCc2ccco2)CC1 ZINC000826254726 896740095 /nfs/dbraw/zinc/74/00/95/896740095.db2.gz YIQDSDZGEXVULP-UHFFFAOYSA-N -1 3 395.463 3.667 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ccc1O ZINC000826260620 896748121 /nfs/dbraw/zinc/74/81/21/896748121.db2.gz XMMOHQQMUOGQDV-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1C1CCCCC1 ZINC000826260477 896748844 /nfs/dbraw/zinc/74/88/44/896748844.db2.gz PUVFTTHVTCLNQU-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1C1CCCCC1 ZINC000826260477 896748857 /nfs/dbraw/zinc/74/88/57/896748857.db2.gz PUVFTTHVTCLNQU-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM COc1cc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)cc(OC)c1[O-] ZINC000289236979 914102019 /nfs/dbraw/zinc/10/20/19/914102019.db2.gz XDLCHJMATQPFKO-UHFFFAOYSA-N -1 3 396.443 3.864 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000826272243 896824327 /nfs/dbraw/zinc/82/43/27/896824327.db2.gz ZYTLTTCCMYRXCK-JSGCOSHPSA-N -1 3 378.436 3.737 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3Br)CC2)cn1 ZINC000826285659 896924232 /nfs/dbraw/zinc/92/42/32/896924232.db2.gz GGHMXZQWRUDFLG-UHFFFAOYSA-N -1 3 399.296 3.717 20 0 GHADHM Cc1ccc(C(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000819753368 896981645 /nfs/dbraw/zinc/98/16/45/896981645.db2.gz HJJVFEZCDFUGAX-MRXNPFEDSA-N -1 3 388.508 3.952 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000819854845 897019838 /nfs/dbraw/zinc/01/98/38/897019838.db2.gz CPMUHSVDEGCDKO-CQSZACIVSA-N -1 3 379.439 3.581 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000819854845 897019853 /nfs/dbraw/zinc/01/98/53/897019853.db2.gz CPMUHSVDEGCDKO-CQSZACIVSA-N -1 3 379.439 3.581 20 0 GHADHM COc1ccc(NCc2cc(C)cc(Br)c2)cc1[N-]S(C)(=O)=O ZINC000774937279 914131091 /nfs/dbraw/zinc/13/10/91/914131091.db2.gz XAIDWIHEXWTMFZ-UHFFFAOYSA-N -1 3 399.310 3.750 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000130684157 897186452 /nfs/dbraw/zinc/18/64/52/897186452.db2.gz PKFNNNCFRYGBAL-OAHLLOKOSA-N -1 3 379.407 3.951 20 0 GHADHM C[C@@H](N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1(C)CC1 ZINC000820306892 897260205 /nfs/dbraw/zinc/26/02/05/897260205.db2.gz GXHFXYLTJLGOTM-CYBMUJFWSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H](N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1(C)CC1 ZINC000820306892 897260222 /nfs/dbraw/zinc/26/02/22/897260222.db2.gz GXHFXYLTJLGOTM-CYBMUJFWSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342850 897281199 /nfs/dbraw/zinc/28/11/99/897281199.db2.gz WVGZTMULYKUDRB-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342850 897281217 /nfs/dbraw/zinc/28/12/17/897281217.db2.gz WVGZTMULYKUDRB-CYBMUJFWSA-N -1 3 396.882 3.955 20 0 GHADHM Cc1ccnc(NCc2ccc(Oc3cccc(F)c3)nc2)c1-c1nnn[n-]1 ZINC000826314358 897458359 /nfs/dbraw/zinc/45/83/59/897458359.db2.gz SRGIBVSYVQSRMF-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccnc(NCc2ccc(Oc3cccc(F)c3)nc2)c1-c1nn[n-]n1 ZINC000826314358 897458370 /nfs/dbraw/zinc/45/83/70/897458370.db2.gz SRGIBVSYVQSRMF-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(-c2ccccc2)s1 ZINC000826323668 897602956 /nfs/dbraw/zinc/60/29/56/897602956.db2.gz MYYXYCSXIUTKJW-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(-c2ccccc2)s1 ZINC000826323668 897602970 /nfs/dbraw/zinc/60/29/70/897602970.db2.gz MYYXYCSXIUTKJW-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(CCNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c(C)c1 ZINC001136430109 897786516 /nfs/dbraw/zinc/78/65/16/897786516.db2.gz CDBGWYNQPAKDLT-UHFFFAOYSA-N -1 3 399.288 3.880 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(CCF)CC3)cc2)cc1 ZINC000289447529 914191936 /nfs/dbraw/zinc/19/19/36/914191936.db2.gz ULSDNXPPMRCQAW-UHFFFAOYSA-N -1 3 376.453 3.874 20 0 GHADHM Cc1nscc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000826340155 897803387 /nfs/dbraw/zinc/80/33/87/897803387.db2.gz KSCCFNUCGLDFJB-UHFFFAOYSA-N -1 3 394.485 3.711 20 0 GHADHM Cc1nscc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000826340155 897803397 /nfs/dbraw/zinc/80/33/97/897803397.db2.gz KSCCFNUCGLDFJB-UHFFFAOYSA-N -1 3 394.485 3.711 20 0 GHADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000568415503 897819507 /nfs/dbraw/zinc/81/95/07/897819507.db2.gz VUZIOPKGZNYHOU-UHFFFAOYSA-N -1 3 399.415 3.539 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001275484182 914204278 /nfs/dbraw/zinc/20/42/78/914204278.db2.gz YDJGFWIJZHSRHD-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001275484182 914204287 /nfs/dbraw/zinc/20/42/87/914204287.db2.gz YDJGFWIJZHSRHD-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM COc1ccccc1/C=C(/C(=O)N[N-]C(=O)c1ccccc1F)c1ccccc1 ZINC000042856845 897950250 /nfs/dbraw/zinc/95/02/50/897950250.db2.gz FRVJHPFRGVUNHS-XDJHFCHBSA-N -1 3 390.414 3.836 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289497291 914212692 /nfs/dbraw/zinc/21/26/92/914212692.db2.gz PQIZDIDBMPKGJW-GJZGRUSLSA-N -1 3 399.457 3.528 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2ccccc2Cl)C2CCCC2)c(=O)[n-]1 ZINC000103794222 898107426 /nfs/dbraw/zinc/10/74/26/898107426.db2.gz AHMKPTDRXVHBDP-UHFFFAOYSA-N -1 3 387.911 3.944 20 0 GHADHM COc1c(Cl)cc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC001136523528 898170024 /nfs/dbraw/zinc/17/00/24/898170024.db2.gz VBTHFZCGCKUHLG-UHFFFAOYSA-N -1 3 397.258 3.775 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)c1 ZINC000826368889 898204079 /nfs/dbraw/zinc/20/40/79/898204079.db2.gz FDKYADYKCQGHCQ-ZDUSSCGKSA-N -1 3 399.380 3.527 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)c1 ZINC000826368889 898204097 /nfs/dbraw/zinc/20/40/97/898204097.db2.gz FDKYADYKCQGHCQ-ZDUSSCGKSA-N -1 3 399.380 3.527 20 0 GHADHM FC(F)(F)c1ccn([C@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)n1 ZINC000826368858 898204249 /nfs/dbraw/zinc/20/42/49/898204249.db2.gz CZZUDCFBFQLVIS-JTQLQIEISA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)n1 ZINC000826368858 898204266 /nfs/dbraw/zinc/20/42/66/898204266.db2.gz CZZUDCFBFQLVIS-JTQLQIEISA-N -1 3 397.792 3.577 20 0 GHADHM CCCCC[C@H](O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000822114877 898212283 /nfs/dbraw/zinc/21/22/83/898212283.db2.gz MARHVEWSSIBBDV-IBGZPJMESA-N -1 3 390.505 3.676 20 0 GHADHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1Cl ZINC000043182677 898279432 /nfs/dbraw/zinc/27/94/32/898279432.db2.gz GVSBIUBTVDDGPH-JTQLQIEISA-N -1 3 396.672 3.808 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](c3ccccc3)CC2)c([O-])c1 ZINC001136576821 898338026 /nfs/dbraw/zinc/33/80/26/898338026.db2.gz PULBHLZDFLRHHL-IBGZPJMESA-N -1 3 380.488 3.617 20 0 GHADHM Fc1cc(N[C@@H]2CCCSC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372948 898411273 /nfs/dbraw/zinc/41/12/73/898411273.db2.gz SVODAOIABVQLKY-MRXNPFEDSA-N -1 3 385.468 3.892 20 0 GHADHM Fc1cc(N[C@@H]2CCCSC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372948 898411277 /nfs/dbraw/zinc/41/12/77/898411277.db2.gz SVODAOIABVQLKY-MRXNPFEDSA-N -1 3 385.468 3.892 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)N[C@H](c1ccccc1)C1CCCCC1 ZINC000800206657 898741581 /nfs/dbraw/zinc/74/15/81/898741581.db2.gz FZEDOENAKIWVKY-HXUWFJFHSA-N -1 3 392.459 3.553 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)N[C@H](c1ccccc1)C1CCCCC1 ZINC000800206657 898741586 /nfs/dbraw/zinc/74/15/86/898741586.db2.gz FZEDOENAKIWVKY-HXUWFJFHSA-N -1 3 392.459 3.553 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)N[C@H](c1ccccc1)C1CCCCC1 ZINC000800206657 898741593 /nfs/dbraw/zinc/74/15/93/898741593.db2.gz FZEDOENAKIWVKY-HXUWFJFHSA-N -1 3 392.459 3.553 20 0 GHADHM COC(=O)c1coc(C(=O)[N-]c2scc(-c3ccccc3)c2C(=O)OC)c1 ZINC000800215713 898754946 /nfs/dbraw/zinc/75/49/46/898754946.db2.gz PWEQXUHOBBAUQS-UHFFFAOYSA-N -1 3 385.397 3.834 20 0 GHADHM O=C(OCC1CCOCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823401133 899011613 /nfs/dbraw/zinc/01/16/13/899011613.db2.gz PUULXQSIAUROMM-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM O=C(OCC1CCOCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823401133 899011629 /nfs/dbraw/zinc/01/16/29/899011629.db2.gz PUULXQSIAUROMM-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM O=[S@@](Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1)c1ccccc1 ZINC000823612859 899132691 /nfs/dbraw/zinc/13/26/91/899132691.db2.gz FFUWPCGMDFSQAP-MHZLTWQESA-N -1 3 395.513 3.848 20 0 GHADHM O=[S@@](Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1)c1ccccc1 ZINC000823612859 899132696 /nfs/dbraw/zinc/13/26/96/899132696.db2.gz FFUWPCGMDFSQAP-MHZLTWQESA-N -1 3 395.513 3.848 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)[C@H]1C[C@@H]1C ZINC000570159482 899164942 /nfs/dbraw/zinc/16/49/42/899164942.db2.gz LERRSIVGDWMYOY-QKKBWIMNSA-N -1 3 384.501 3.737 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C3CCC3)CCC2)c1 ZINC000570257532 899225240 /nfs/dbraw/zinc/22/52/40/899225240.db2.gz RVIGDRKIYGDQPV-UHFFFAOYSA-N -1 3 383.448 3.641 20 0 GHADHM c1coc([C@@H]2CN(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)CCO2)c1 ZINC000823816833 899254478 /nfs/dbraw/zinc/25/44/78/899254478.db2.gz ZWTJMNLLFRSGGR-NRFANRHFSA-N -1 3 387.443 3.700 20 0 GHADHM CC(C)c1cc(NC(=O)c2cc3sccc3c([O-])c2)n(-c2ncccn2)n1 ZINC001136787079 899281363 /nfs/dbraw/zinc/28/13/63/899281363.db2.gz WQIOTUYALAVYRB-UHFFFAOYSA-N -1 3 379.445 3.958 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C ZINC000884187334 899282249 /nfs/dbraw/zinc/28/22/49/899282249.db2.gz BHKZSDOLZBXGHS-BXKDBHETSA-N -1 3 396.734 3.968 20 0 GHADHM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000116711428 899302962 /nfs/dbraw/zinc/30/29/62/899302962.db2.gz SMZZKIVTPXDDII-UHFFFAOYSA-N -1 3 395.546 3.539 20 0 GHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000824015801 899333778 /nfs/dbraw/zinc/33/37/78/899333778.db2.gz ZSMPHOCXQIVWBD-HNNXBMFYSA-N -1 3 388.431 3.595 20 0 GHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000824015801 899333788 /nfs/dbraw/zinc/33/37/88/899333788.db2.gz ZSMPHOCXQIVWBD-HNNXBMFYSA-N -1 3 388.431 3.595 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824079074 899383579 /nfs/dbraw/zinc/38/35/79/899383579.db2.gz MFVFBEBFUUJLCY-SMDDNHRTSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824079074 899383595 /nfs/dbraw/zinc/38/35/95/899383595.db2.gz MFVFBEBFUUJLCY-SMDDNHRTSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266351 899473479 /nfs/dbraw/zinc/47/34/79/899473479.db2.gz JHRUCOGQQIUMDO-JKSUJKDBSA-N -1 3 393.491 3.772 20 0 GHADHM CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266351 899473484 /nfs/dbraw/zinc/47/34/84/899473484.db2.gz JHRUCOGQQIUMDO-JKSUJKDBSA-N -1 3 393.491 3.772 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(=O)[n-]1 ZINC000118996055 899515962 /nfs/dbraw/zinc/51/59/62/899515962.db2.gz ALQLZIHCPSINDR-SFHVURJKSA-N -1 3 377.435 3.501 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000824329971 899558804 /nfs/dbraw/zinc/55/88/04/899558804.db2.gz ZKSHMAAXTDYJKP-QRTARXTBSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000824329971 899558814 /nfs/dbraw/zinc/55/88/14/899558814.db2.gz ZKSHMAAXTDYJKP-QRTARXTBSA-N -1 3 384.484 3.696 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824488357 899632482 /nfs/dbraw/zinc/63/24/82/899632482.db2.gz FONQTPVOZRWSIO-OWCLPIDISA-N -1 3 390.491 3.892 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824488357 899632483 /nfs/dbraw/zinc/63/24/83/899632483.db2.gz FONQTPVOZRWSIO-OWCLPIDISA-N -1 3 390.491 3.892 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H]2CCC[C@H]21)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824490448 899633743 /nfs/dbraw/zinc/63/37/43/899633743.db2.gz POKXDLWGLQQPQX-PNHOKKKMSA-N -1 3 388.475 3.789 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H]2CCC[C@H]21)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824490448 899633756 /nfs/dbraw/zinc/63/37/56/899633756.db2.gz POKXDLWGLQQPQX-PNHOKKKMSA-N -1 3 388.475 3.789 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824492026 899635064 /nfs/dbraw/zinc/63/50/64/899635064.db2.gz WQKHRKQZJCDYOH-ZIAGYGMSSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824492026 899635072 /nfs/dbraw/zinc/63/50/72/899635072.db2.gz WQKHRKQZJCDYOH-ZIAGYGMSSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@H](NC(=O)c1cncc(F)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824520685 899656640 /nfs/dbraw/zinc/65/66/40/899656640.db2.gz BKLDSSCPOJEIQL-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1cncc(F)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824520685 899656643 /nfs/dbraw/zinc/65/66/43/899656643.db2.gz BKLDSSCPOJEIQL-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824539589 899699669 /nfs/dbraw/zinc/69/96/69/899699669.db2.gz OMFDZSNRVRXPOY-FZKQIMNGSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539589 899699675 /nfs/dbraw/zinc/69/96/75/899699675.db2.gz OMFDZSNRVRXPOY-FZKQIMNGSA-N -1 3 393.882 3.694 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](CC)C3)nc(=O)c2c1C ZINC000332620002 899805563 /nfs/dbraw/zinc/80/55/63/899805563.db2.gz MHXIOUIPAQXMLW-OLZOCXBDSA-N -1 3 377.510 3.653 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(C(C)C)ncc3Cl)c2)n1 ZINC000120955473 899920439 /nfs/dbraw/zinc/92/04/39/899920439.db2.gz DHDWMTAQJHDJOH-UHFFFAOYSA-N -1 3 397.866 3.818 20 0 GHADHM Cc1cc2sc(NCC[N-]S(=O)(=O)c3ccc(F)cc3F)nc2c(C)c1 ZINC001186220264 914393799 /nfs/dbraw/zinc/39/37/99/914393799.db2.gz BQKXNXQTPBSXKC-UHFFFAOYSA-N -1 3 397.472 3.582 20 0 GHADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCC[C@H]3CC(F)(F)F)cn21 ZINC000333088373 899950113 /nfs/dbraw/zinc/95/01/13/899950113.db2.gz ALGHEFTXLVCYCC-AVGNSLFASA-N -1 3 379.448 3.570 20 0 GHADHM CC[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825066219 899960315 /nfs/dbraw/zinc/96/03/15/899960315.db2.gz AFLQNEMOQXFPLQ-CABCVRRESA-N -1 3 399.520 3.560 20 0 GHADHM CC[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825066219 899960320 /nfs/dbraw/zinc/96/03/20/899960320.db2.gz AFLQNEMOQXFPLQ-CABCVRRESA-N -1 3 399.520 3.560 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)c(F)cc1F)c1ccc2nsnc2c1 ZINC001186262921 914398266 /nfs/dbraw/zinc/39/82/66/914398266.db2.gz IIKPFZAOTFQYHF-UHFFFAOYSA-N -1 3 395.334 3.789 20 0 GHADHM CCC(CC)n1nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825114342 899986403 /nfs/dbraw/zinc/98/64/03/899986403.db2.gz LXCNHVAKOYRGPQ-OAHLLOKOSA-N -1 3 395.511 3.956 20 0 GHADHM CCC(CC)n1nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825114342 899986412 /nfs/dbraw/zinc/98/64/12/899986412.db2.gz LXCNHVAKOYRGPQ-OAHLLOKOSA-N -1 3 395.511 3.956 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000825115380 899987276 /nfs/dbraw/zinc/98/72/76/899987276.db2.gz XBYXHKROGAOWTM-UHFFFAOYSA-N -1 3 385.497 3.535 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000825115380 899987279 /nfs/dbraw/zinc/98/72/79/899987279.db2.gz XBYXHKROGAOWTM-UHFFFAOYSA-N -1 3 385.497 3.535 20 0 GHADHM O=S(=O)([N-]c1c(Cl)ccc2cccnc21)c1ccc2nsnc2c1 ZINC001186263616 914400389 /nfs/dbraw/zinc/40/03/89/914400389.db2.gz YLCXJDJWPGRDLO-UHFFFAOYSA-N -1 3 376.850 3.694 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000825182022 900014818 /nfs/dbraw/zinc/01/48/18/900014818.db2.gz HHBWLGFFVBFKEB-XMCHAPAWSA-N -1 3 391.475 3.669 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000825182022 900014828 /nfs/dbraw/zinc/01/48/28/900014828.db2.gz HHBWLGFFVBFKEB-XMCHAPAWSA-N -1 3 391.475 3.669 20 0 GHADHM Cc1ncccc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000572105712 900073267 /nfs/dbraw/zinc/07/32/67/900073267.db2.gz FXBCMKUFOODRSR-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C(=Cc1ccccc1)C(F)(F)F ZINC000825304879 900079954 /nfs/dbraw/zinc/07/99/54/900079954.db2.gz MKKWKZFZSWBUNV-DHDCSXOGSA-N -1 3 377.366 3.712 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(SC(F)(F)F)cc1 ZINC000134663784 900104301 /nfs/dbraw/zinc/10/43/01/900104301.db2.gz XFQQAOFMLNJFLY-UHFFFAOYSA-N -1 3 381.372 3.731 20 0 GHADHM CCCc1csc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000825348530 900111559 /nfs/dbraw/zinc/11/15/59/900111559.db2.gz PAZURCOOWWYSMD-UHFFFAOYSA-N -1 3 399.524 3.966 20 0 GHADHM CCCc1csc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000825348530 900111566 /nfs/dbraw/zinc/11/15/66/900111566.db2.gz PAZURCOOWWYSMD-UHFFFAOYSA-N -1 3 399.524 3.966 20 0 GHADHM CCn1ccc(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1C ZINC000825369387 900130325 /nfs/dbraw/zinc/13/03/25/900130325.db2.gz VUCVVJLOLMISEO-AWEZNQCLSA-N -1 3 393.409 3.629 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1c(C)nc2ccccc2c1C ZINC001186273141 914413426 /nfs/dbraw/zinc/41/34/26/914413426.db2.gz WJWDTWJAMOGWBN-UHFFFAOYSA-N -1 3 382.391 3.664 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000572839772 900288020 /nfs/dbraw/zinc/28/80/20/900288020.db2.gz NRENZYDJLNRUFY-GFOJFJKKSA-N -1 3 378.472 3.558 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000843885284 900289066 /nfs/dbraw/zinc/28/90/66/900289066.db2.gz GHBGALOKQOLPBO-AWEZNQCLSA-N -1 3 376.453 3.713 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000885070825 900380223 /nfs/dbraw/zinc/38/02/23/900380223.db2.gz VFXRUBJFXQQJHY-UHFFFAOYSA-N -1 3 391.427 3.783 20 0 GHADHM CCc1ccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c([O-])c1 ZINC001143820554 900565903 /nfs/dbraw/zinc/56/59/03/900565903.db2.gz NTIRJFIXILWLFR-UHFFFAOYSA-N -1 3 381.501 3.963 20 0 GHADHM CC(C)n1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000574242228 900834419 /nfs/dbraw/zinc/83/44/19/900834419.db2.gz BBCBINPUJCXNQL-UHFFFAOYSA-N -1 3 381.807 3.615 20 0 GHADHM COc1ccc(N(Cc2cccs2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000057798858 900895932 /nfs/dbraw/zinc/89/59/32/900895932.db2.gz FZUYCXZRTMPQGX-UHFFFAOYSA-N -1 3 397.500 3.623 20 0 GHADHM CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc([O-])c(F)c3)n2)cc1 ZINC001144055177 901026733 /nfs/dbraw/zinc/02/67/33/901026733.db2.gz IJUSJUSHFBALFU-UHFFFAOYSA-N -1 3 385.420 3.794 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)c(F)cc1F ZINC001186403205 914503220 /nfs/dbraw/zinc/50/32/20/914503220.db2.gz LTGULSVGIZYEBD-UHFFFAOYSA-N -1 3 396.459 3.858 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000826505165 901373947 /nfs/dbraw/zinc/37/39/47/901373947.db2.gz OINADOCTUNOPIK-SFHVURJKSA-N -1 3 375.457 3.754 20 0 GHADHM O[C@@H](CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000826505165 901373990 /nfs/dbraw/zinc/37/39/90/901373990.db2.gz OINADOCTUNOPIK-SFHVURJKSA-N -1 3 375.457 3.754 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000844849693 901433893 /nfs/dbraw/zinc/43/38/93/901433893.db2.gz OGHHQFMDRHODDS-WMLDXEAASA-N -1 3 392.496 3.556 20 0 GHADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001186462170 914588854 /nfs/dbraw/zinc/58/88/54/914588854.db2.gz XDQFSOTUAUBAPW-CQSZACIVSA-N -1 3 386.286 3.888 20 0 GHADHM C[C@@]1(C(=O)N[N-]C(=O)c2ccccc2Br)CCCc2ccccc21 ZINC000158848019 902215133 /nfs/dbraw/zinc/21/51/33/902215133.db2.gz GSEMHHDFRZCBLR-LJQANCHMSA-N -1 3 387.277 3.504 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001144528593 902331846 /nfs/dbraw/zinc/33/18/46/902331846.db2.gz WACLAQZZWDAOQX-UHFFFAOYSA-N -1 3 395.362 3.680 20 0 GHADHM O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576884453 902332341 /nfs/dbraw/zinc/33/23/41/902332341.db2.gz GDIHLXOMINIXCP-UHFFFAOYSA-N -1 3 389.455 3.706 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCc2ccc(Br)cc2)cc1[O-] ZINC001144592777 902444186 /nfs/dbraw/zinc/44/41/86/902444186.db2.gz RRGKTSVZRAJFCC-UHFFFAOYSA-N -1 3 376.250 3.672 20 0 GHADHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)[nH]1 ZINC000577039286 902455225 /nfs/dbraw/zinc/45/52/25/902455225.db2.gz QJBDIKVDEAVWSF-BQBZGAKWSA-N -1 3 383.326 3.726 20 0 GHADHM COc1cc(C)c(CN(C)CCOc2ccc(/C=C\C(=O)[O-])cc2)cc1OC ZINC000846232978 902807455 /nfs/dbraw/zinc/80/74/55/902807455.db2.gz YNTRDGVYBSKQLY-YFHOEESVSA-N -1 3 385.460 3.621 20 0 GHADHM COCC1(C(=O)[O-])CCN(Cc2ccc(OC)c(SC(F)(F)F)c2)CC1 ZINC000846286107 902846821 /nfs/dbraw/zinc/84/68/21/902846821.db2.gz JKYJRHSKXGGEEG-UHFFFAOYSA-N -1 3 393.427 3.620 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)c([O-])c1 ZINC000264607424 903238966 /nfs/dbraw/zinc/23/89/66/903238966.db2.gz MGSRKMDKNMQAIU-UHFFFAOYSA-N -1 3 388.537 3.997 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000264689338 903316484 /nfs/dbraw/zinc/31/64/84/903316484.db2.gz YXQPROHBWFIDPQ-UHFFFAOYSA-N -1 3 398.850 3.550 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290493425 914706233 /nfs/dbraw/zinc/70/62/33/914706233.db2.gz XQYONKMKXRGMMV-HOCLYGCPSA-N -1 3 384.442 3.660 20 0 GHADHM O=C(Nc1ccc(Br)c(F)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001146588474 903562676 /nfs/dbraw/zinc/56/26/76/903562676.db2.gz NIGQNXJDEDGXIF-UHFFFAOYSA-N -1 3 397.150 3.960 20 0 GHADHM COc1ccccc1[C@H](C)N(OC)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001146564589 903565231 /nfs/dbraw/zinc/56/52/31/903565231.db2.gz SHHCRCBEOUOGJY-NSHDSACASA-N -1 3 388.370 3.580 20 0 GHADHM Cc1nc2ccccc2n1CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646621761 914728890 /nfs/dbraw/zinc/72/88/90/914728890.db2.gz LRPUXXQANCCZBP-UHFFFAOYSA-N -1 3 377.366 3.889 20 0 GHADHM COc1ccc([C@H](NC(=O)c2ccccc2[O-])c2ccc(OC)cc2OC)cc1 ZINC001146733219 903595023 /nfs/dbraw/zinc/59/50/23/903595023.db2.gz CTVDQEIQTIMZAU-QFIPXVFZSA-N -1 3 393.439 3.937 20 0 GHADHM CN1c2ccccc2C[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1=O ZINC001146963756 903658444 /nfs/dbraw/zinc/65/84/44/903658444.db2.gz JKABYYWVXLGFBS-IBGZPJMESA-N -1 3 388.423 3.502 20 0 GHADHM O=C([N-]c1ccc(-n2ccccc2=O)cc1F)c1snc(Cl)c1Cl ZINC001147098320 903696614 /nfs/dbraw/zinc/69/66/14/903696614.db2.gz SFSUOAXUQCSCDP-UHFFFAOYSA-N -1 3 384.219 3.992 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCC1)c1cccc(Br)n1 ZINC001186677638 914746405 /nfs/dbraw/zinc/74/64/05/914746405.db2.gz JVNVYSHUDDFYSG-INIZCTEOSA-N -1 3 399.285 3.803 20 0 GHADHM O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1c([O-])cccc1Cl ZINC000578387543 903793317 /nfs/dbraw/zinc/79/33/17/903793317.db2.gz RMQVILUKHKJTHA-UHFFFAOYSA-N -1 3 386.791 3.908 20 0 GHADHM Cc1ccc(C(=O)[N-]N2Cc3ccc(Br)cc3C2=O)c(F)c1Cl ZINC001147872291 903901911 /nfs/dbraw/zinc/90/19/11/903901911.db2.gz FLYFAONLOGQCFN-UHFFFAOYSA-N -1 3 397.631 3.851 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)c1[O-] ZINC001148201993 904013769 /nfs/dbraw/zinc/01/37/69/904013769.db2.gz JEJHWQVVMKGOPM-UHFFFAOYSA-N -1 3 382.803 3.933 20 0 GHADHM Cc1ccc(C(=O)N2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c([O-])c1 ZINC001148498133 904096588 /nfs/dbraw/zinc/09/65/88/904096588.db2.gz BKQJERSEVPODPZ-RYGJVYDSSA-N -1 3 381.476 3.606 20 0 GHADHM O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813837 904218507 /nfs/dbraw/zinc/21/85/07/904218507.db2.gz JBPUHQBFKGXVHG-UHFFFAOYSA-N -1 3 394.302 3.736 20 0 GHADHM O=C(NCCOc1ncccc1Cl)c1cc(Cc2ccccc2)ccc1[O-] ZINC001137250992 904500480 /nfs/dbraw/zinc/50/04/80/904500480.db2.gz NJKKVZHWHFELPQ-UHFFFAOYSA-N -1 3 382.847 3.840 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cccc(F)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000160045023 904594970 /nfs/dbraw/zinc/59/49/70/904594970.db2.gz MJHJFFRNAHIAOZ-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM CCOc1ccccc1Oc1ccccc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000579642182 904764315 /nfs/dbraw/zinc/76/43/15/904764315.db2.gz UYPXGVJDVNZGSM-UHFFFAOYSA-N -1 3 391.427 3.572 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(OC(C)C)c2)sc1Cl ZINC000188040937 904863054 /nfs/dbraw/zinc/86/30/54/904863054.db2.gz FTTLHAHGLNHIOY-AWEZNQCLSA-N -1 3 389.926 3.509 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(C(F)(F)F)cc1O)OCC ZINC001212630774 905153256 /nfs/dbraw/zinc/15/32/56/905153256.db2.gz MCYUSMPXLOPLPB-UHFFFAOYSA-N -1 3 387.358 3.592 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000175769172 905662560 /nfs/dbraw/zinc/66/25/60/905662560.db2.gz LUJUFWKXLGMXEP-CJNGLKHVSA-N -1 3 394.899 3.570 20 0 GHADHM C[C@H](Cc1c(F)cccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001172860039 905914813 /nfs/dbraw/zinc/91/48/13/905914813.db2.gz CQESKHWUMPMZSF-CQSZACIVSA-N -1 3 376.859 3.574 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC000190374086 906009700 /nfs/dbraw/zinc/00/97/00/906009700.db2.gz MLUCICSNMILNLB-UHFFFAOYSA-N -1 3 378.860 3.819 20 0 GHADHM C/C(=C\c1ccccc1C(F)(F)F)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524359 921201778 /nfs/dbraw/zinc/20/17/78/921201778.db2.gz GIIBUPRWOKCSRR-GLNPCMGASA-N -1 3 394.397 3.736 20 0 GHADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000901525245 921202789 /nfs/dbraw/zinc/20/27/89/921202789.db2.gz PLYHPTQXKBMREX-OAHLLOKOSA-N -1 3 386.452 3.681 20 0 GHADHM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179474815 906509325 /nfs/dbraw/zinc/50/93/25/906509325.db2.gz SHKPCHMRPRJUKQ-SNVBAGLBSA-N -1 3 381.263 3.714 20 0 GHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CC1 ZINC000179482574 906510985 /nfs/dbraw/zinc/51/09/85/906510985.db2.gz RSQRSWXVCOFWPQ-OLZOCXBDSA-N -1 3 385.464 3.980 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)[nH][n-]1 ZINC000629953746 907070496 /nfs/dbraw/zinc/07/04/96/907070496.db2.gz SQHUOXZJTWBHDW-MRXNPFEDSA-N -1 3 394.475 3.529 20 0 GHADHM CCCN(CC)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000299416560 921308627 /nfs/dbraw/zinc/30/86/27/921308627.db2.gz SPVOKIQVEZLVTQ-UHFFFAOYSA-N -1 3 386.448 3.534 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)c(OC)c2)cc1OC ZINC000630453697 907289030 /nfs/dbraw/zinc/28/90/30/907289030.db2.gz UIQSHHJCENERAY-HNNXBMFYSA-N -1 3 379.840 3.671 20 0 GHADHM Cc1nn(-c2ccccc2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC001175425287 907545039 /nfs/dbraw/zinc/54/50/39/907545039.db2.gz QLOQZPVIBIQNAL-UHFFFAOYSA-N -1 3 396.252 3.867 20 0 GHADHM Cc1ccc(C(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001175614981 907667914 /nfs/dbraw/zinc/66/79/14/907667914.db2.gz CFZCMGLNASJSDK-UHFFFAOYSA-N -1 3 382.460 3.577 20 0 GHADHM O=C(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1sc2ccccc2c1Cl ZINC001175724693 907705077 /nfs/dbraw/zinc/70/50/77/907705077.db2.gz SNNDJIGMDPAGGV-UHFFFAOYSA-N -1 3 387.848 3.540 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000299467530 921350398 /nfs/dbraw/zinc/35/03/98/921350398.db2.gz ARCSPGOJUURRKM-NRFANRHFSA-N -1 3 388.471 3.753 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncc(Cl)cc3[O-])cn2)CC1 ZINC001175815432 907772633 /nfs/dbraw/zinc/77/26/33/907772633.db2.gz PSDDOMKNBRIDAL-UHFFFAOYSA-N -1 3 393.875 3.953 20 0 GHADHM CCc1cc2c(CN3CC[C@@H](C(F)(F)F)O[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC001175870406 907808882 /nfs/dbraw/zinc/80/88/82/907808882.db2.gz GOMCPVRUCNRCEO-GTNSWQLSSA-N -1 3 385.382 3.603 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000777427520 908004718 /nfs/dbraw/zinc/00/47/18/908004718.db2.gz RXXNZWVUJWVLKC-UHFFFAOYSA-N -1 3 398.459 3.969 20 0 GHADHM COc1cccc2[nH]c(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)nc21 ZINC001176468026 908123881 /nfs/dbraw/zinc/12/38/81/908123881.db2.gz WBZVBDDNOMBQIV-UHFFFAOYSA-N -1 3 389.437 3.627 20 0 GHADHM O=C([O-])C[C@@H](c1ccccc1)C1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000901599536 921386219 /nfs/dbraw/zinc/38/62/19/921386219.db2.gz QIXQRUKULWHUNX-SFHVURJKSA-N -1 3 381.428 3.857 20 0 GHADHM CCc1c(Cl)cc(Nc2cnc(N3CCN(C)CC3)nc2)c([O-])c1Cl ZINC001176635759 908191573 /nfs/dbraw/zinc/19/15/73/908191573.db2.gz ZTKPEMLPCRDBIS-UHFFFAOYSA-N -1 3 382.295 3.547 20 0 GHADHM COCC[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccnc1 ZINC001176774005 908244315 /nfs/dbraw/zinc/24/43/15/908244315.db2.gz FPEAKRFFRZHIAP-NRFANRHFSA-N -1 3 376.456 3.886 20 0 GHADHM Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000633250758 908256195 /nfs/dbraw/zinc/25/61/95/908256195.db2.gz NNKHJPCRSLDMCZ-JTQLQIEISA-N -1 3 397.294 3.984 20 0 GHADHM COC(CCCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)OC ZINC000801697019 921395963 /nfs/dbraw/zinc/39/59/63/921395963.db2.gz NNOIXGWVDKCBFP-UHFFFAOYSA-N -1 3 383.963 3.804 20 0 GHADHM CCC1(CC)CCCN1C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001177024253 908368607 /nfs/dbraw/zinc/36/86/07/908368607.db2.gz XNTRVBDRGMQQIZ-UHFFFAOYSA-N -1 3 395.459 3.788 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cnc2ccccc2c1C(F)(F)F ZINC001177644539 908699300 /nfs/dbraw/zinc/69/93/00/908699300.db2.gz DHFPWZBSAQONAK-UHFFFAOYSA-N -1 3 388.349 3.557 20 0 GHADHM CCc1cc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)c(C)cc1OC ZINC000634656039 908789316 /nfs/dbraw/zinc/78/93/16/908789316.db2.gz UJWCONXDOWELFD-UHFFFAOYSA-N -1 3 390.505 3.942 20 0 GHADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)CSc2ccc(C)cc2)c1 ZINC000012672969 908823674 /nfs/dbraw/zinc/82/36/74/908823674.db2.gz SSJVIKRCEFMPOM-UHFFFAOYSA-N -1 3 380.922 3.924 20 0 GHADHM O=C(Cc1csc(Br)n1)Nc1cc(Br)ccc1[O-] ZINC001178289573 908989101 /nfs/dbraw/zinc/98/91/01/908989101.db2.gz XWZDZXDXIQWJCP-UHFFFAOYSA-N -1 3 392.072 3.555 20 0 GHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000266115769 909011093 /nfs/dbraw/zinc/01/10/93/909011093.db2.gz XIFKYYONGZMXBT-UHFFFAOYSA-N -1 3 390.461 3.621 20 0 GHADHM COc1cccc(-c2nc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)co2)c1 ZINC000635016584 909100260 /nfs/dbraw/zinc/10/02/60/909100260.db2.gz AFXJBWBEUAERSI-UXHICEINSA-N -1 3 378.428 3.650 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2CCC=CCC2)CC1 ZINC000635683971 909325643 /nfs/dbraw/zinc/32/56/43/909325643.db2.gz MZXCYUSADNULAJ-UHFFFAOYSA-N -1 3 376.884 3.969 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@]1(C)CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001179046335 909361093 /nfs/dbraw/zinc/36/10/93/909361093.db2.gz OMJPFRNPAGQEIL-SFHVURJKSA-N -1 3 398.406 3.568 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182717 909397676 /nfs/dbraw/zinc/39/76/76/909397676.db2.gz IKOPJDSMIQHCNM-HTQZYQBOSA-N -1 3 391.191 3.567 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182718 909398731 /nfs/dbraw/zinc/39/87/31/909398731.db2.gz IKOPJDSMIQHCNM-JGVFFNPUSA-N -1 3 391.191 3.567 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000636109715 909430920 /nfs/dbraw/zinc/43/09/20/909430920.db2.gz GNMSLYKWQRHPFO-UHFFFAOYSA-N -1 3 383.492 3.840 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000636111456 909431230 /nfs/dbraw/zinc/43/12/30/909431230.db2.gz KCJXLSNNRSENNY-UONOGXRCSA-N -1 3 379.382 3.664 20 0 GHADHM COc1cc(C2(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)CCCC2)ccc1C ZINC000636319173 909535630 /nfs/dbraw/zinc/53/56/30/909535630.db2.gz LGECYZVFFBUIRB-UHFFFAOYSA-N -1 3 395.503 3.895 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1C(C)C ZINC000636319092 909537283 /nfs/dbraw/zinc/53/72/83/909537283.db2.gz MCLOYXYLUOPGER-HNNXBMFYSA-N -1 3 383.492 3.965 20 0 GHADHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1Oc1ccncc1 ZINC000636318781 909538036 /nfs/dbraw/zinc/53/80/36/909538036.db2.gz CCHCUXSPFYWRDI-UHFFFAOYSA-N -1 3 390.443 3.875 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319528 909539808 /nfs/dbraw/zinc/53/98/08/909539808.db2.gz QOWXBWJTXZWZOO-OAHLLOKOSA-N -1 3 379.382 3.802 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H](c1cccnc1)C1CCCCC1 ZINC000636321109 909541537 /nfs/dbraw/zinc/54/15/37/909541537.db2.gz CMGLWDPQNFWFDX-HXUWFJFHSA-N -1 3 380.492 3.825 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000636321111 909542218 /nfs/dbraw/zinc/54/22/18/909542218.db2.gz CNNAUFSGSNYMBG-JKSUJKDBSA-N -1 3 391.393 3.888 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1CC(C)C ZINC000268232148 909804926 /nfs/dbraw/zinc/80/49/26/909804926.db2.gz SNDWGZPNKUTATG-SFHVURJKSA-N -1 3 382.508 3.912 20 0 GHADHM CC(C)O[C@H](COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000795311001 909820574 /nfs/dbraw/zinc/82/05/74/909820574.db2.gz PEQUIIPQRPXDNL-TZIWHRDSSA-N -1 3 397.471 3.706 20 0 GHADHM Cc1nnc(-c2ccc([N-]S(=O)(=O)CCc3cccc(Cl)c3)cc2)o1 ZINC000795324137 909859010 /nfs/dbraw/zinc/85/90/10/909859010.db2.gz MKMYCBHBTDMUAK-UHFFFAOYSA-N -1 3 377.853 3.683 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1OC1CCC1 ZINC001179955327 909866782 /nfs/dbraw/zinc/86/67/82/909866782.db2.gz SDQFPZDQOMGLFE-UHFFFAOYSA-N -1 3 391.427 3.950 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1OC1CCC1 ZINC001179955327 909866791 /nfs/dbraw/zinc/86/67/91/909866791.db2.gz SDQFPZDQOMGLFE-UHFFFAOYSA-N -1 3 391.427 3.950 20 0 GHADHM Cc1onc(-c2ccccc2C)c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180222734 910023271 /nfs/dbraw/zinc/02/32/71/910023271.db2.gz WFJPQDAZUMRWHM-WKILWMFISA-N -1 3 392.459 3.910 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c([O-])c1 ZINC000269889018 910377185 /nfs/dbraw/zinc/37/71/85/910377185.db2.gz ATCANRTZRPXIMA-UHFFFAOYSA-N -1 3 382.460 3.712 20 0 GHADHM COc1cc(C)c(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)c(C)n1 ZINC000901800042 921578821 /nfs/dbraw/zinc/57/88/21/921578821.db2.gz VXLROLYRIYUDRU-UHFFFAOYSA-N -1 3 375.494 3.550 20 0 GHADHM COc1ccc([C@@H](C)N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640291273 910953377 /nfs/dbraw/zinc/95/33/77/910953377.db2.gz ACOHHUDNFIOILR-SNVBAGLBSA-N -1 3 390.793 3.754 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1Cc2ccccc2C2(CC2)C1 ZINC000640297045 910956730 /nfs/dbraw/zinc/95/67/30/910956730.db2.gz STVCJXSFYVZTTR-UHFFFAOYSA-N -1 3 384.789 3.600 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1CCC2(CC2(F)F)CC1 ZINC000640301987 910960822 /nfs/dbraw/zinc/96/08/22/910960822.db2.gz HDKWVZDJAPDWLB-UHFFFAOYSA-N -1 3 386.752 3.610 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000283327338 911463020 /nfs/dbraw/zinc/46/30/20/911463020.db2.gz ACLGYMAWZTWSNH-UHFFFAOYSA-N -1 3 391.446 3.747 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000641763193 911507166 /nfs/dbraw/zinc/50/71/66/911507166.db2.gz VFEMXJNXTGKSKK-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000641763193 911507183 /nfs/dbraw/zinc/50/71/83/911507183.db2.gz VFEMXJNXTGKSKK-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001182365580 911561617 /nfs/dbraw/zinc/56/16/17/911561617.db2.gz SYOBXHSODGMZBD-RYUDHWBXSA-N -1 3 389.333 3.802 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cnc(-c3ccco3)s2)n[n-]1 ZINC001182653438 911952632 /nfs/dbraw/zinc/95/26/32/911952632.db2.gz IXEDGDVNINTAMD-ZDUSSCGKSA-N -1 3 389.481 3.575 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cnc(-c3ccco3)s2)[n-]1 ZINC001182653438 911952641 /nfs/dbraw/zinc/95/26/41/911952641.db2.gz IXEDGDVNINTAMD-ZDUSSCGKSA-N -1 3 389.481 3.575 20 0 GHADHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cnc(-c3ccco3)s2)n1 ZINC001182653438 911952660 /nfs/dbraw/zinc/95/26/60/911952660.db2.gz IXEDGDVNINTAMD-ZDUSSCGKSA-N -1 3 389.481 3.575 20 0 GHADHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182885622 912112145 /nfs/dbraw/zinc/11/21/45/912112145.db2.gz RWPZLOUESJZJPX-TZMCWYRMSA-N -1 3 396.878 3.706 20 0 GHADHM COC(=O)CN(Cc1c[nH]nc1-c1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000093277070 912152677 /nfs/dbraw/zinc/15/26/77/912152677.db2.gz TZRAFDQBPMJUKT-UHFFFAOYSA-N -1 3 391.880 3.672 20 0 GHADHM CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001183037166 912208940 /nfs/dbraw/zinc/20/89/40/912208940.db2.gz IJISEPJUUMEHRM-HXUWFJFHSA-N -1 3 382.847 3.885 20 0 GHADHM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646906687 914914208 /nfs/dbraw/zinc/91/42/08/914914208.db2.gz VXIPGPDEZAWUTL-SFHVURJKSA-N -1 3 378.819 3.836 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(O[C@H](C)CC(C)C)c2)c1 ZINC001187011379 914940607 /nfs/dbraw/zinc/94/06/07/914940607.db2.gz CNKQCGCNWNESKN-CQSZACIVSA-N -1 3 397.928 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Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001187944574 915634797 /nfs/dbraw/zinc/63/47/97/915634797.db2.gz HUKIXOUCJSPPDY-UHFFFAOYSA-N -1 3 376.478 3.779 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000648432035 915699108 /nfs/dbraw/zinc/69/91/08/915699108.db2.gz NGMZDEHJIPNWKU-JGVFFNPUSA-N -1 3 397.706 3.680 20 0 GHADHM O=S(=O)([N-]CCCCCCCCCCO)c1cnc(Cl)c(Cl)c1 ZINC001188085192 915745665 /nfs/dbraw/zinc/74/56/65/915745665.db2.gz WAZIOIBFTHJHOG-UHFFFAOYSA-N -1 3 383.341 3.780 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](C(F)(F)F)CC1)c1cnc(Cl)c(Cl)c1 ZINC001188097807 915754427 /nfs/dbraw/zinc/75/44/27/915754427.db2.gz XVZSQIYZCKCBIN-ZKCHVHJHSA-N -1 3 377.215 3.788 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2OC(C)(C)C)cc1F ZINC001188140924 915777175 /nfs/dbraw/zinc/77/71/75/915777175.db2.gz LIQNDDPWHPWLKT-UHFFFAOYSA-N -1 3 399.459 3.938 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)n1 ZINC001188249584 915825772 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Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC([C@H](O)C(F)(F)F)CC3)c2c1 ZINC000649393952 916137365 /nfs/dbraw/zinc/13/73/65/916137365.db2.gz IJPUHXQIFOVCQB-KRWDZBQOSA-N -1 3 382.382 3.689 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2Cl)CC1)c1cc(F)c(F)c(F)c1 ZINC001188928902 916274959 /nfs/dbraw/zinc/27/49/59/916274959.db2.gz SMYZTBQQNNHEJR-UHFFFAOYSA-N -1 3 375.799 3.767 20 0 GHADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1(C)C ZINC001188967459 916314957 /nfs/dbraw/zinc/31/49/57/916314957.db2.gz AODORZWWRRULPC-CVEARBPZSA-N -1 3 380.535 3.681 20 0 GHADHM Cc1cccc(CN(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000293719895 916346050 /nfs/dbraw/zinc/34/60/50/916346050.db2.gz SKGQIKWIRADDJJ-UHFFFAOYSA-N -1 3 390.487 3.761 20 0 GHADHM O=C(c1cccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1)N1CCCCC1 ZINC001189686836 916806857 /nfs/dbraw/zinc/80/68/57/916806857.db2.gz KQAFBFDYAGGVPV-UHFFFAOYSA-N -1 3 394.443 3.533 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000650505237 917039987 /nfs/dbraw/zinc/03/99/87/917039987.db2.gz XITJFMAUWPVFOV-VGOFRKELSA-N -1 3 398.528 3.551 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001190120004 917141910 /nfs/dbraw/zinc/14/19/10/917141910.db2.gz CWAHMXRNYYFUSL-UZUQRXQVSA-N -1 3 397.471 3.588 20 0 GHADHM CC(C)Oc1ccnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC001190338437 917269285 /nfs/dbraw/zinc/26/92/85/917269285.db2.gz GDQUXGHZZQYUTR-UHFFFAOYSA-N -1 3 392.374 3.505 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1(Cl)Cl ZINC001190428723 917332623 /nfs/dbraw/zinc/33/26/23/917332623.db2.gz IXQSBSMOWJCRRS-JTQLQIEISA-N -1 3 396.189 3.587 20 0 GHADHM Cc1cc(=O)c(C(=O)Nc2c(C)c(Br)ccc2[O-])cn1C1CC1 ZINC000650946289 917352818 /nfs/dbraw/zinc/35/28/18/917352818.db2.gz QSYTXVWBMAXZCE-UHFFFAOYSA-N -1 3 377.238 3.520 20 0 GHADHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1(Cc2ccc(Cl)cc2)CCC1 ZINC001190817876 917579976 /nfs/dbraw/zinc/57/99/76/917579976.db2.gz MTIRFYBHVNIKAG-QHCPKHFHSA-N -1 3 392.974 3.536 20 0 GHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccnc(F)c2Br)c1 ZINC001191154188 917789645 /nfs/dbraw/zinc/78/96/45/917789645.db2.gz RGHYECLYIYRTKM-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2cccnc2)C1)c1c(Cl)cccc1Cl ZINC000296072172 917821023 /nfs/dbraw/zinc/82/10/23/917821023.db2.gz ORKOTIOLZZSBDZ-IUODEOHRSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652471070 917905504 /nfs/dbraw/zinc/90/55/04/917905504.db2.gz SGGFNWBSMGQRPG-CTNGQTDRSA-N -1 3 397.515 3.716 20 0 GHADHM Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000652872088 918045123 /nfs/dbraw/zinc/04/51/23/918045123.db2.gz CUOSXRXIOMBLBV-IBGZPJMESA-N -1 3 381.451 3.688 20 0 GHADHM O=C(Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(C(F)(F)F)c1)C1CC1 ZINC000775469311 918108641 /nfs/dbraw/zinc/10/86/41/918108641.db2.gz DIXWIPFHSVVHCQ-AWEZNQCLSA-N -1 3 387.358 3.634 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000775469311 918108646 /nfs/dbraw/zinc/10/86/46/918108646.db2.gz DIXWIPFHSVVHCQ-AWEZNQCLSA-N -1 3 387.358 3.634 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCOCC2CCC2)c(Br)c1 ZINC001191719801 918141920 /nfs/dbraw/zinc/14/19/20/918141920.db2.gz LXGZDDKAWXTRAG-UHFFFAOYSA-N -1 3 396.734 3.506 20 0 GHADHM COc1cccc2c1OC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191776715 918180596 /nfs/dbraw/zinc/18/05/96/918180596.db2.gz KSCWIFKSTNEIEL-LBPRGKRZSA-N -1 3 388.272 3.722 20 0 GHADHM O=S(=O)(CCc1ccccc1Cl)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC001191829108 918252769 /nfs/dbraw/zinc/25/27/69/918252769.db2.gz QHDPSFRXJDWULC-SFHVURJKSA-N -1 3 390.892 3.774 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)cccc21 ZINC001191905045 918295141 /nfs/dbraw/zinc/29/51/41/918295141.db2.gz JFPXKYKUFMAHCK-QGZVFWFLSA-N -1 3 398.887 3.806 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000297266740 919194852 /nfs/dbraw/zinc/19/48/52/919194852.db2.gz YKGIVODBSZWIIF-UHFFFAOYSA-N -1 3 395.362 3.547 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000297266740 919194855 /nfs/dbraw/zinc/19/48/55/919194855.db2.gz YKGIVODBSZWIIF-UHFFFAOYSA-N -1 3 395.362 3.547 20 0 GHADHM C[C@@H]1CCN(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c2ccccc2S1 ZINC000115646886 919461485 /nfs/dbraw/zinc/46/14/85/919461485.db2.gz ZGCOPSDHVAAGDG-CYBMUJFWSA-N -1 3 397.456 3.744 20 0 GHADHM C[C@@H]1CCN(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c2ccccc2S1 ZINC000115646886 919461490 /nfs/dbraw/zinc/46/14/90/919461490.db2.gz ZGCOPSDHVAAGDG-CYBMUJFWSA-N -1 3 397.456 3.744 20 0 GHADHM Cc1cc(C(=O)N[N-]C(=O)c2ccc(F)cc2Cl)c(C)n1-c1ccccc1 ZINC000017443122 919504242 /nfs/dbraw/zinc/50/42/42/919504242.db2.gz IPDPUDQTWSFXFG-UHFFFAOYSA-N -1 3 385.826 3.961 20 0 GHADHM O=C([O-])CC1CC(NCc2cc(Br)ccc2Br)C1 ZINC000900047203 919772047 /nfs/dbraw/zinc/77/20/47/919772047.db2.gz GMUNZSARUAWHBH-UHFFFAOYSA-N -1 3 377.076 3.555 20 0 GHADHM O=C([O-])[C@H](CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCCCCC1 ZINC000900049687 919775931 /nfs/dbraw/zinc/77/59/31/919775931.db2.gz QFQWCDUFEPACJA-MRXNPFEDSA-N -1 3 394.878 3.821 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(F)cc4[n-]nnc43)co2)cc1 ZINC000800262511 919803360 /nfs/dbraw/zinc/80/33/60/919803360.db2.gz MKJPFDTZAYIRDY-UHFFFAOYSA-N -1 3 382.351 3.508 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(F)cc4nn[n-]c43)co2)cc1 ZINC000800262511 919803388 /nfs/dbraw/zinc/80/33/88/919803388.db2.gz MKJPFDTZAYIRDY-UHFFFAOYSA-N -1 3 382.351 3.508 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3cc(F)cc4n[n-]nc43)co2)cc1 ZINC000800262511 919803403 /nfs/dbraw/zinc/80/34/03/919803403.db2.gz MKJPFDTZAYIRDY-UHFFFAOYSA-N -1 3 382.351 3.508 20 0 GHADHM Cc1nc(C)c(-c2nnc(SCc3noc(-c4ccccc4[O-])n3)o2)s1 ZINC000364741569 919933280 /nfs/dbraw/zinc/93/32/80/919933280.db2.gz URXDXSDYKLFAHY-UHFFFAOYSA-N -1 3 387.446 3.858 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000298413963 920511743 /nfs/dbraw/zinc/51/17/43/920511743.db2.gz YVAUVXDOCUTSSD-GFCCVEGCSA-N -1 3 381.398 3.970 20 0 GHADHM Cc1cc(C)cc([C@H](O)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000800914155 920596875 /nfs/dbraw/zinc/59/68/75/920596875.db2.gz NDDXILKRALHTFK-HXUWFJFHSA-N -1 3 392.459 3.630 20 0 GHADHM O=C(OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000801276055 920895097 /nfs/dbraw/zinc/89/50/97/920895097.db2.gz AXUQYGSKRZIURX-GFCCVEGCSA-N -1 3 377.799 3.504 20 0 GHADHM CCN(Cc1ccnc2c(C(=O)[O-])cccc12)C[C@H]1COc2ccccc2O1 ZINC000901418494 921089135 /nfs/dbraw/zinc/08/91/35/921089135.db2.gz HIJWSJWLKZAOAK-INIZCTEOSA-N -1 3 378.428 3.595 20 0 GHADHM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)o1 ZINC000901428433 921097280 /nfs/dbraw/zinc/09/72/80/921097280.db2.gz GHTFJASANLQQLQ-HVHJFMEUSA-N -1 3 397.406 3.946 20 0 GHADHM Cc1ccc2nc(-c3ccc(F)cc3)c(C[N-]c3nnc(C(C)(C)O)o3)n2c1 ZINC000902074870 921854875 /nfs/dbraw/zinc/85/48/75/921854875.db2.gz AEPRDUAWACQPRL-UHFFFAOYSA-N -1 3 381.411 3.671 20 0 GHADHM CCCC(=O)Nc1ccc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000902123433 921895913 /nfs/dbraw/zinc/89/59/13/921895913.db2.gz KJXCCNBOPUEYSA-UHFFFAOYSA-N -1 3 384.476 3.795 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000902201200 921979677 /nfs/dbraw/zinc/97/96/77/921979677.db2.gz UVZRIMCUASGSJR-SFHVURJKSA-N -1 3 393.434 3.743 20 0 GHADHM Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C)c1OCC(=O)[O-] ZINC000902227334 922009003 /nfs/dbraw/zinc/00/90/03/922009003.db2.gz RHAMMPVEGTYCCR-HNNXBMFYSA-N -1 3 382.460 3.502 20 0 GHADHM COc1cccc(C2(NCc3ccc(C(=O)[O-])c(Br)c3)CC2)c1 ZINC000902309475 922075282 /nfs/dbraw/zinc/07/52/82/922075282.db2.gz NXCNKYVDMDHXBA-UHFFFAOYSA-N -1 3 376.250 3.935 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H]1CCc2cc(Br)ccc21 ZINC000902466975 922219203 /nfs/dbraw/zinc/21/92/03/922219203.db2.gz MECNJJYJDLRGGA-QGZVFWFLSA-N -1 3 392.297 3.514 20 0 GHADHM C[C@H](Oc1ccc(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1)C(=O)[O-] ZINC000902506591 922247208 /nfs/dbraw/zinc/24/72/08/922247208.db2.gz RSQXBQCEUCNCMB-OXJNMPFZSA-N -1 3 397.471 3.701 20 0 GHADHM C[C@@H]1CN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C[C@H]1CC(=O)[O-] ZINC000902560158 922289437 /nfs/dbraw/zinc/28/94/37/922289437.db2.gz PCHJGHXKSWAGCM-HUUCEWRRSA-N -1 3 383.423 3.808 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4cnn(CC(F)F)c4)CC3)c2c1 ZINC000902568759 922306735 /nfs/dbraw/zinc/30/67/35/922306735.db2.gz BDVSTPCHQCSTKA-UHFFFAOYSA-N -1 3 388.418 3.707 20 0 GHADHM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000902819322 922524779 /nfs/dbraw/zinc/52/47/79/922524779.db2.gz GKZKYLGGQUIQEF-VNQPRFMTSA-N -1 3 399.409 3.804 20 0 GHADHM COCCC1(C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000902906001 922588676 /nfs/dbraw/zinc/58/86/76/922588676.db2.gz ZUURNBJAHUMQOV-UHFFFAOYSA-N -1 3 386.748 3.779 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000803122491 922715280 /nfs/dbraw/zinc/71/52/80/922715280.db2.gz YQIIBLNRHZXIKC-SNVBAGLBSA-N -1 3 394.319 3.727 20 0 GHADHM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903673697 923184528 /nfs/dbraw/zinc/18/45/28/923184528.db2.gz DTXNPJKGCWXPIU-DNVCBOLYSA-N -1 3 387.549 3.882 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]([C@H]2CCCO2)C1 ZINC000903944843 923424244 /nfs/dbraw/zinc/42/42/44/923424244.db2.gz SVBPTJQYYSEMJF-MDASCCDHSA-N -1 3 390.867 3.839 20 0 GHADHM CC(C)c1nc(C(=O)[N-]c2cc(C(F)(F)F)no2)nn1-c1ccccc1F ZINC000748352246 923588485 /nfs/dbraw/zinc/58/84/85/923588485.db2.gz ALQJXGHRWDYQCI-UHFFFAOYSA-N -1 3 383.305 3.789 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1)c1ccc(Cl)nc1Cl ZINC000748537417 923708414 /nfs/dbraw/zinc/70/84/14/923708414.db2.gz RASLQFFKSRTTJF-UHFFFAOYSA-N -1 3 377.318 3.600 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(Br)c(F)c2)cc1[O-] ZINC000748902158 923911942 /nfs/dbraw/zinc/91/19/42/923911942.db2.gz LSHSGPZYPFRHBE-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM O=C(NCC1(C2CC2)CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000676940661 924169294 /nfs/dbraw/zinc/16/92/94/924169294.db2.gz VHJKDBUYCLMYDZ-UHFFFAOYSA-N -1 3 375.266 3.601 20 0 GHADHM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1[O-] ZINC000677211820 924286105 /nfs/dbraw/zinc/28/61/05/924286105.db2.gz AIESIWPZUJFQGL-UHFFFAOYSA-N -1 3 375.808 3.809 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@H]1C1CC1 ZINC000370752481 924286660 /nfs/dbraw/zinc/28/66/60/924286660.db2.gz FSMSOUWTLYTUAW-IBGZPJMESA-N -1 3 388.464 3.641 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1cccc(N2CCCC2)c1 ZINC001137304393 924398770 /nfs/dbraw/zinc/39/87/70/924398770.db2.gz SCIQLOQLEAVCEO-CYBMUJFWSA-N -1 3 397.425 3.898 20 0 GHADHM COc1ccccc1[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nccn1C ZINC000371370317 924547682 /nfs/dbraw/zinc/54/76/82/924547682.db2.gz UZHLYXYSFYDAQS-KRWDZBQOSA-N -1 3 389.377 3.565 20 0 GHADHM CCCCC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1 ZINC000827103069 924752908 /nfs/dbraw/zinc/75/29/08/924752908.db2.gz DENOJTBOHIIWPI-KRWDZBQOSA-N -1 3 392.521 3.890 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)cn1 ZINC000371736474 924812145 /nfs/dbraw/zinc/81/21/45/924812145.db2.gz XGFPWOZUFPVPKX-UHFFFAOYSA-N -1 3 375.476 3.948 20 0 GHADHM Cc1sc(CCNC(=O)c2c[n-]c3ccccc3c2=O)nc1-c1ccccc1 ZINC000409710169 924908106 /nfs/dbraw/zinc/90/81/06/924908106.db2.gz JIOFGOQKGOJTOI-UHFFFAOYSA-N -1 3 389.480 3.933 20 0 GHADHM CC(C)(C)C(=O)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C(C)(C)C1 ZINC000678904110 924967877 /nfs/dbraw/zinc/96/78/77/924967877.db2.gz GMNLRIAMHPULOP-UHFFFAOYSA-N -1 3 396.491 3.551 20 0 GHADHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000409859839 925078975 /nfs/dbraw/zinc/07/89/75/925078975.db2.gz UKCRYMBABFMRDX-UHFFFAOYSA-N -1 3 398.315 3.938 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)c1 ZINC000410128526 925340819 /nfs/dbraw/zinc/34/08/19/925340819.db2.gz TZPWJWUOPYMQKO-HNNXBMFYSA-N -1 3 379.503 3.626 20 0 GHADHM CCCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccncc1 ZINC000372536465 925518858 /nfs/dbraw/zinc/51/88/58/925518858.db2.gz IZNPLDHGWYCPNR-UHFFFAOYSA-N -1 3 394.460 3.798 20 0 GHADHM CCN(Cc1ccc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)cc1)C1CC1 ZINC000410361367 925569467 /nfs/dbraw/zinc/56/94/67/925569467.db2.gz DRVBRNOOSUQGNB-UHFFFAOYSA-N -1 3 392.528 3.787 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001137422770 925616734 /nfs/dbraw/zinc/61/67/34/925616734.db2.gz IKTYSOMGTUWQPN-LJQANCHMSA-N -1 3 382.504 3.690 20 0 GHADHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410422522 925632263 /nfs/dbraw/zinc/63/22/63/925632263.db2.gz WMEFTDAZRWVLPB-UHFFFAOYSA-N -1 3 391.251 3.635 20 0 GHADHM Cn1nccc1[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000373024824 925818719 /nfs/dbraw/zinc/81/87/19/925818719.db2.gz NNBPAIDIIPLCNY-CYBMUJFWSA-N -1 3 395.488 3.770 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2c(F)c(F)cc(F)c2F)nc1C(C)C ZINC000411058500 926035246 /nfs/dbraw/zinc/03/52/46/926035246.db2.gz REZZMQCTBXTSCP-UHFFFAOYSA-N -1 3 376.331 3.862 20 0 GHADHM Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000373631293 926300080 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0 GHADHM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1ccc(Cl)cc1Br ZINC000798427302 932643299 /nfs/dbraw/zinc/64/32/99/932643299.db2.gz SXSUPHWFSFEEAU-LURJTMIESA-N -1 3 393.517 3.575 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)[n-]1 ZINC000559478188 932697145 /nfs/dbraw/zinc/69/71/45/932697145.db2.gz AOXNUZSQJSLNHT-UHFFFAOYSA-N -1 3 393.230 3.605 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)[n-]1 ZINC000559553787 932730824 /nfs/dbraw/zinc/73/08/24/932730824.db2.gz ANMXIDDESUNMOG-UHFFFAOYSA-N -1 3 386.354 3.911 20 0 GHADHM C[C@@]1(C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)COC(=O)N1 ZINC000928164913 932833392 /nfs/dbraw/zinc/83/33/92/932833392.db2.gz WFTTUKBJDBXQFR-QFIPXVFZSA-N -1 3 396.443 3.535 20 0 GHADHM C[C@]1(C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)COC(=O)N1 ZINC000928164912 932833714 /nfs/dbraw/zinc/83/37/14/932833714.db2.gz WFTTUKBJDBXQFR-JOCHJYFZSA-N -1 3 396.443 3.535 20 0 GHADHM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799023197 932854594 /nfs/dbraw/zinc/85/45/94/932854594.db2.gz YETAQFUHRTVLKP-ZRDIBKRKSA-N -1 3 388.817 3.660 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)c(F)cc1C ZINC001117077447 933852775 /nfs/dbraw/zinc/85/27/75/933852775.db2.gz YCYDNHVXIDVIRU-UHFFFAOYSA-N -1 3 392.408 3.561 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000930183223 933881313 /nfs/dbraw/zinc/88/13/13/933881313.db2.gz UCOCJTIGNNDAMD-SJLPKXTDSA-N -1 3 394.475 3.769 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1c(F)cccc1OC(F)(F)F ZINC000561536309 934250042 /nfs/dbraw/zinc/25/00/42/934250042.db2.gz AVNJAUSQXQGCMP-AWEZNQCLSA-N -1 3 390.358 3.549 20 0 GHADHM C[C@@H]1CCc2c(sc3nc(CCC(=O)[N-]OC4CCCCC4)[nH]c(=O)c23)C1 ZINC000777949445 934323685 /nfs/dbraw/zinc/32/36/85/934323685.db2.gz MEFHTRBRQYZGIR-GFCCVEGCSA-N -1 3 389.521 3.835 20 0 GHADHM CC(C)(C)c1ncc(/C=C/C(=O)OCc2nnc(-c3ccccc3[O-])o2)s1 ZINC001119664678 934379328 /nfs/dbraw/zinc/37/93/28/934379328.db2.gz CLUDCOZJWNGFQU-CMDGGOBGSA-N -1 3 385.445 3.953 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(CSC2CCCCC2)c1 ZINC001119819668 934400799 /nfs/dbraw/zinc/40/07/99/934400799.db2.gz STTYOYWYVRIWDY-INIZCTEOSA-N -1 3 388.537 3.886 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Cl)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001120263855 934453237 /nfs/dbraw/zinc/45/32/37/934453237.db2.gz BYYRJLOAEZCCIN-YGRLFVJLSA-N -1 3 385.773 3.764 20 0 GHADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120722477 934500537 /nfs/dbraw/zinc/50/05/37/934500537.db2.gz UJUOZGATVGKHNS-BXKDBHETSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001120923180 934536224 /nfs/dbraw/zinc/53/62/24/934536224.db2.gz VRHMIGIMKUVKKM-UHFFFAOYSA-N -1 3 389.455 3.761 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H](c2nnc3ccccn32)C(C)C)cnc1Cl ZINC000931521984 934597835 /nfs/dbraw/zinc/59/78/35/934597835.db2.gz TYLCEYSMPNIRLP-CQSZACIVSA-N -1 3 393.825 3.691 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000931621633 934647537 /nfs/dbraw/zinc/64/75/37/934647537.db2.gz VJGSXKXCDCLQBG-CQSZACIVSA-N -1 3 387.505 3.978 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(F)F)cc1 ZINC000931624103 934649161 /nfs/dbraw/zinc/64/91/61/934649161.db2.gz JPLFWCQLQDJXSR-ZDUSSCGKSA-N -1 3 397.447 3.879 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCN(c2ccccc2F)C1 ZINC000562159031 934733811 /nfs/dbraw/zinc/73/38/11/934733811.db2.gz JQRGPPLJNHFAFU-LLVKDONJSA-N -1 3 379.229 3.759 20 0 GHADHM C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000778050121 934796029 /nfs/dbraw/zinc/79/60/29/934796029.db2.gz WXESXMOFTWFLRF-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM Cn1ccc([C@@H]2CCCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)C2)n1 ZINC000932136014 934831622 /nfs/dbraw/zinc/83/16/22/934831622.db2.gz GTQNAVGADKBNPF-CYBMUJFWSA-N -1 3 395.488 3.770 20 0 GHADHM Cn1nccc1[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000932269653 934864555 /nfs/dbraw/zinc/86/45/55/934864555.db2.gz LDUCROHYQOYRQZ-CQSZACIVSA-N -1 3 381.461 3.728 20 0 GHADHM CC(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)C[C@H]1C ZINC001122762247 934976544 /nfs/dbraw/zinc/97/65/44/934976544.db2.gz FUOKJXQMZKDBOV-GFCCVEGCSA-N -1 3 392.454 3.598 20 0 GHADHM Cc1nc(-c2nnc(N3CCCC(C)(C)CC3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001122907589 935024961 /nfs/dbraw/zinc/02/49/61/935024961.db2.gz KLTJNRMDVOJHFN-UHFFFAOYSA-N -1 3 398.536 3.875 20 0 GHADHM O=C(OC[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123254026 935131155 /nfs/dbraw/zinc/13/11/55/935131155.db2.gz HCDJISHEPPXEQP-GFCCVEGCSA-N -1 3 391.418 3.839 20 0 GHADHM Cc1nc(-c2nnc(N3CCCC4(CCCC4)CC3)n2CC2CC2)cc(=O)[n-]1 ZINC001123518498 935215852 /nfs/dbraw/zinc/21/58/52/935215852.db2.gz JYIXKQIZVJILMJ-UHFFFAOYSA-N -1 3 382.512 3.710 20 0 GHADHM Cn1cc(-c2ccnc(C3CCN(Cc4cccc([O-])c4Cl)CC3)n2)cn1 ZINC000828074883 935574250 /nfs/dbraw/zinc/57/42/50/935574250.db2.gz YNHYHFHCMNGBOP-UHFFFAOYSA-N -1 3 383.883 3.616 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1nn(-c2ccccc2)cc1Br ZINC001137580745 935599668 /nfs/dbraw/zinc/59/96/68/935599668.db2.gz XAOSKHWLMOXDTP-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc1[O-] ZINC000828507078 935648626 /nfs/dbraw/zinc/64/86/26/935648626.db2.gz TZAQMHRXVMJWEH-UHFFFAOYSA-N -1 3 386.835 3.640 20 0 GHADHM CN(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000829466513 935812878 /nfs/dbraw/zinc/81/28/78/935812878.db2.gz BWSUHARJOXJFHT-QGZVFWFLSA-N -1 3 381.501 3.853 20 0 GHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829640443 935837703 /nfs/dbraw/zinc/83/77/03/935837703.db2.gz QOJDCEPHWMCTPO-GOSISDBHSA-N -1 3 384.476 3.921 20 0 GHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)c1C ZINC000829927572 935882786 /nfs/dbraw/zinc/88/27/86/935882786.db2.gz UHEYFEKGWHJRNM-ZDUSSCGKSA-N -1 3 375.494 3.900 20 0 GHADHM CCOc1cccc2c1OCC(C(=O)Nc1cc(Br)ccc1[O-])=C2 ZINC001138016413 935929378 /nfs/dbraw/zinc/92/93/78/935929378.db2.gz MMYNNTYXZGHXDB-UHFFFAOYSA-N -1 3 390.233 3.968 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cnn(Cc2ccccc2)c1Cl ZINC000830429915 935944351 /nfs/dbraw/zinc/94/43/51/935944351.db2.gz CDSMPNCJEHOAQG-CYBMUJFWSA-N -1 3 389.868 3.540 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C(=O)[O-])cc1C ZINC000908884813 939345138 /nfs/dbraw/zinc/34/51/38/939345138.db2.gz PSCGVAHVNYKTHF-YYWHXJBOSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1cnc(N2CCCC3(C2)CCCCCC3)c(-c2nnn[n-]2)c1 ZINC001573280339 946659067 /nfs/dbraw/zinc/65/90/67/946659067.db2.gz UHAKKDOQMHWHJG-UHFFFAOYSA-N -1 3 391.317 3.965 20 0 GHADHM Brc1cnc(N2CCCC3(C2)CCCCCC3)c(-c2nn[n-]n2)c1 ZINC001573280339 946659074 /nfs/dbraw/zinc/65/90/74/946659074.db2.gz UHAKKDOQMHWHJG-UHFFFAOYSA-N -1 3 391.317 3.965 20 0 GHADHM C[C@@H](C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1)c1ccc(F)cc1F ZINC001573606893 947534111 /nfs/dbraw/zinc/53/41/11/947534111.db2.gz ACNOWEFHNAKETK-GFCCVEGCSA-N -1 3 383.402 3.834 20 0 GHADHM C[C@@H](C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1)c1ccc(F)cc1F ZINC001573606893 947534122 /nfs/dbraw/zinc/53/41/22/947534122.db2.gz ACNOWEFHNAKETK-GFCCVEGCSA-N -1 3 383.402 3.834 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001573367186 947756089 /nfs/dbraw/zinc/75/60/89/947756089.db2.gz YOTONCIXYSUQJY-GDNBJRDFSA-N -1 3 376.464 3.592 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001573367186 947756094 /nfs/dbraw/zinc/75/60/94/947756094.db2.gz YOTONCIXYSUQJY-GDNBJRDFSA-N -1 3 376.464 3.592 20 0 GHADHM CC(C)(C)c1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)cn3)CCCC2)cc1 ZINC001566462709 948561822 /nfs/dbraw/zinc/56/18/22/948561822.db2.gz WRUSORFTSLQYSN-UHFFFAOYSA-N -1 3 390.491 3.759 20 0 GHADHM CC(C)(C)c1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)cn3)CCCC2)cc1 ZINC001566462709 948561832 /nfs/dbraw/zinc/56/18/32/948561832.db2.gz WRUSORFTSLQYSN-UHFFFAOYSA-N -1 3 390.491 3.759 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC001574082162 948850353 /nfs/dbraw/zinc/85/03/53/948850353.db2.gz BDDKINQRPJWRCR-RTBURBONSA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC001574082162 948850372 /nfs/dbraw/zinc/85/03/72/948850372.db2.gz BDDKINQRPJWRCR-RTBURBONSA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)C1CCCC1 ZINC001574082396 948853898 /nfs/dbraw/zinc/85/38/98/948853898.db2.gz CWMOOFFXUPDLEZ-GOSISDBHSA-N -1 3 385.512 3.603 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)C1CCCC1 ZINC001574082396 948853913 /nfs/dbraw/zinc/85/39/13/948853913.db2.gz CWMOOFFXUPDLEZ-GOSISDBHSA-N -1 3 385.512 3.603 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001574083867 948895512 /nfs/dbraw/zinc/89/55/12/948895512.db2.gz ZEWQCYUCWKNRGA-ZCNNSNEGSA-N -1 3 375.476 3.826 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001574083867 948895530 /nfs/dbraw/zinc/89/55/30/948895530.db2.gz ZEWQCYUCWKNRGA-ZCNNSNEGSA-N -1 3 375.476 3.826 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1Cl)c1ccccc1 ZINC001575501442 949010667 /nfs/dbraw/zinc/01/06/67/949010667.db2.gz HTPIRIHEDNUFKT-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1Cl)c1ccccc1 ZINC001575501442 949010686 /nfs/dbraw/zinc/01/06/86/949010686.db2.gz HTPIRIHEDNUFKT-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091452 949018304 /nfs/dbraw/zinc/01/83/04/949018304.db2.gz NJIQQUBCZMBGAX-HLIPFELVSA-N -1 3 399.539 3.991 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091452 949018320 /nfs/dbraw/zinc/01/83/20/949018320.db2.gz NJIQQUBCZMBGAX-HLIPFELVSA-N -1 3 399.539 3.991 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1cccc2c1ccn2C ZINC001575503771 949049917 /nfs/dbraw/zinc/04/99/17/949049917.db2.gz LLTCMAPCYNXJRT-ZDUSSCGKSA-N -1 3 375.436 3.583 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1cccc2c1ccn2C ZINC001575503771 949049933 /nfs/dbraw/zinc/04/99/33/949049933.db2.gz LLTCMAPCYNXJRT-ZDUSSCGKSA-N -1 3 375.436 3.583 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001574092587 949067728 /nfs/dbraw/zinc/06/77/28/949067728.db2.gz SABADQUZGRFTGG-KSSFIOAISA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001574092587 949067747 /nfs/dbraw/zinc/06/77/47/949067747.db2.gz SABADQUZGRFTGG-KSSFIOAISA-N -1 3 385.487 3.759 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575504728 949084055 /nfs/dbraw/zinc/08/40/55/949084055.db2.gz WXEHSRJJYIGMQM-IFXJQAMLSA-N -1 3 393.516 3.682 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575504728 949084077 /nfs/dbraw/zinc/08/40/77/949084077.db2.gz WXEHSRJJYIGMQM-IFXJQAMLSA-N -1 3 393.516 3.682 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001575509462 949111421 /nfs/dbraw/zinc/11/14/21/949111421.db2.gz CHGQORRMIZOFBC-LBPRGKRZSA-N -1 3 384.509 3.745 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001575509462 949111434 /nfs/dbraw/zinc/11/14/34/949111434.db2.gz CHGQORRMIZOFBC-LBPRGKRZSA-N -1 3 384.509 3.745 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@@H]1C ZINC001576151354 949220479 /nfs/dbraw/zinc/22/04/79/949220479.db2.gz GWUPEPVWIIKYAO-SPYBWZPUSA-N -1 3 382.512 3.580 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@@H]1C ZINC001576151354 949220503 /nfs/dbraw/zinc/22/05/03/949220503.db2.gz GWUPEPVWIIKYAO-SPYBWZPUSA-N -1 3 382.512 3.580 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575856963 949258334 /nfs/dbraw/zinc/25/83/34/949258334.db2.gz LQKHHVKJHAKLRZ-VQTJNVASSA-N -1 3 387.487 3.551 20 0 GHADHM CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575856963 949258352 /nfs/dbraw/zinc/25/83/52/949258352.db2.gz LQKHHVKJHAKLRZ-VQTJNVASSA-N -1 3 387.487 3.551 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589612532 949335837 /nfs/dbraw/zinc/33/58/37/949335837.db2.gz RQWILZRVGHLKKY-KBAYOESNSA-N -1 3 378.513 3.606 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575264616 949428583 /nfs/dbraw/zinc/42/85/83/949428583.db2.gz PMIIUDNNEIEKMK-YSSFQJQWSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575264616 949428596 /nfs/dbraw/zinc/42/85/96/949428596.db2.gz PMIIUDNNEIEKMK-YSSFQJQWSA-N -1 3 375.476 3.703 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(c2ccccc2)CCCC1 ZINC001575265912 949464407 /nfs/dbraw/zinc/46/44/07/949464407.db2.gz VYJMVFCIBKCVLY-CLVCIHKQSA-N -1 3 387.487 3.897 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(c2ccccc2)CCCC1 ZINC001575265912 949464418 /nfs/dbraw/zinc/46/44/18/949464418.db2.gz VYJMVFCIBKCVLY-CLVCIHKQSA-N -1 3 387.487 3.897 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576164833 949560422 /nfs/dbraw/zinc/56/04/22/949560422.db2.gz HRJTWMDKBSQQDK-FZMZJTMJSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC001576164833 949560435 /nfs/dbraw/zinc/56/04/35/949560435.db2.gz HRJTWMDKBSQQDK-FZMZJTMJSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC001576168503 949640336 /nfs/dbraw/zinc/64/03/36/949640336.db2.gz UXMIWGQFKYAFTD-ZDUSSCGKSA-N -1 3 383.402 3.889 20 0 GHADHM C[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC001576168503 949640348 /nfs/dbraw/zinc/64/03/48/949640348.db2.gz UXMIWGQFKYAFTD-ZDUSSCGKSA-N -1 3 383.402 3.889 20 0 GHADHM CCCN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001589659182 949837796 /nfs/dbraw/zinc/83/77/96/949837796.db2.gz LYPJIJYOBHVIEA-FQEVSTJZSA-N -1 3 396.491 3.688 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573853438 950323020 /nfs/dbraw/zinc/32/30/20/950323020.db2.gz OZYSNBNHPYTRLL-UHFFFAOYSA-N -1 3 395.554 3.809 20 0 GHADHM CC(C)CC1(Cn2c(-c3ccc(-c4nnn[n-]4)cc3)nnc2N2CCCC2)CC1 ZINC001574168288 950506659 /nfs/dbraw/zinc/50/66/59/950506659.db2.gz RKTIXFYYIIFNTN-UHFFFAOYSA-N -1 3 392.511 3.552 20 0 GHADHM CC(C)CC1(Cn2c(-c3ccc(-c4nn[n-]n4)cc3)nnc2N2CCCC2)CC1 ZINC001574168288 950506671 /nfs/dbraw/zinc/50/66/71/950506671.db2.gz RKTIXFYYIIFNTN-UHFFFAOYSA-N -1 3 392.511 3.552 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573873525 950643998 /nfs/dbraw/zinc/64/39/98/950643998.db2.gz OLWPZBXFNCEVKZ-QZTJIDSGSA-N -1 3 378.432 3.643 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573873525 950644014 /nfs/dbraw/zinc/64/40/14/950644014.db2.gz OLWPZBXFNCEVKZ-QZTJIDSGSA-N -1 3 378.432 3.643 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)C(C)(F)F)cc1-c1nnn[n-]1 ZINC001573876210 950664134 /nfs/dbraw/zinc/66/41/34/950664134.db2.gz FJSDKIPWSIWUPL-UHFFFAOYSA-N -1 3 396.442 3.847 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)C(C)(F)F)cc1-c1nn[n-]n1 ZINC001573876210 950664147 /nfs/dbraw/zinc/66/41/47/950664147.db2.gz FJSDKIPWSIWUPL-UHFFFAOYSA-N -1 3 396.442 3.847 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2-c2nnn[n-]2)C1 ZINC001576214404 950672065 /nfs/dbraw/zinc/67/20/65/950672065.db2.gz AAKMMZMYOZICGO-WKPIXPDZSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c2-c2nn[n-]n2)C1 ZINC001576214404 950672085 /nfs/dbraw/zinc/67/20/85/950672085.db2.gz AAKMMZMYOZICGO-WKPIXPDZSA-N -1 3 397.479 3.934 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC001574520457 950735944 /nfs/dbraw/zinc/73/59/44/950735944.db2.gz SHWCOTHULWDKOM-VIFPVBQESA-N -1 3 377.782 3.931 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC001574520457 950735969 /nfs/dbraw/zinc/73/59/69/950735969.db2.gz SHWCOTHULWDKOM-VIFPVBQESA-N -1 3 377.782 3.931 20 0 GHADHM C[C@H](COCc1ccccc1)COc1nc2c(cc1-c1nnn[n-]1)CCCCC2 ZINC001575177259 952398938 /nfs/dbraw/zinc/39/89/38/952398938.db2.gz KOCBTTQWMBRRKJ-MRXNPFEDSA-N -1 3 393.491 3.762 20 0 GHADHM C[C@H](COCc1ccccc1)COc1nc2c(cc1-c1nn[n-]n1)CCCCC2 ZINC001575177259 952398945 /nfs/dbraw/zinc/39/89/45/952398945.db2.gz KOCBTTQWMBRRKJ-MRXNPFEDSA-N -1 3 393.491 3.762 20 0 GHADHM C[C@H](CS[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC001575184779 952424317 /nfs/dbraw/zinc/42/43/17/952424317.db2.gz CJZJRQHRFYTZBP-BEFAXECRSA-N -1 3 393.516 3.899 20 0 GHADHM C[C@H](CS[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC001575184779 952424322 /nfs/dbraw/zinc/42/43/22/952424322.db2.gz CJZJRQHRFYTZBP-BEFAXECRSA-N -1 3 393.516 3.899 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001575185143 952429052 /nfs/dbraw/zinc/42/90/52/952429052.db2.gz LUHSRWCJMYXMSR-JTQLQIEISA-N -1 3 391.262 3.926 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001575185143 952429056 /nfs/dbraw/zinc/42/90/56/952429056.db2.gz LUHSRWCJMYXMSR-JTQLQIEISA-N -1 3 391.262 3.926 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC1CCC1)c1ccccc1 ZINC001575185268 952432036 /nfs/dbraw/zinc/43/20/36/952432036.db2.gz OEFVZGDXBVDJQA-MRXNPFEDSA-N -1 3 375.476 3.879 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC1CCC1)c1ccccc1 ZINC001575185268 952432040 /nfs/dbraw/zinc/43/20/40/952432040.db2.gz OEFVZGDXBVDJQA-MRXNPFEDSA-N -1 3 375.476 3.879 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 ZINC001575190102 952461781 /nfs/dbraw/zinc/46/17/81/952461781.db2.gz RAZDGNIRSWRRCW-KUHUBIRLSA-N -1 3 392.459 3.891 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 ZINC001575190102 952461784 /nfs/dbraw/zinc/46/17/84/952461784.db2.gz RAZDGNIRSWRRCW-KUHUBIRLSA-N -1 3 392.459 3.891 20 0 GHADHM C[C@H](Cc1ccsc1)Nc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001575201664 952507093 /nfs/dbraw/zinc/50/70/93/952507093.db2.gz KAZNNATZPNMBPS-GFCCVEGCSA-N -1 3 379.449 3.554 20 0 GHADHM C[C@H](Cc1ccsc1)Nc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001575201664 952507097 /nfs/dbraw/zinc/50/70/97/952507097.db2.gz KAZNNATZPNMBPS-GFCCVEGCSA-N -1 3 379.449 3.554 20 0 GHADHM Cc1cc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c(C)cc1I ZINC001574326215 960852851 /nfs/dbraw/zinc/85/28/51/960852851.db2.gz KQAJMJXIZVIIMR-MEBBXXQBSA-N -1 3 387.261 3.593 20 0 GHADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC001334776958 961820649 /nfs/dbraw/zinc/82/06/49/961820649.db2.gz MURXFWFLHVMBMV-SECBINFHSA-N -1 3 394.109 3.963 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)/C=C\c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001526687524 962874769 /nfs/dbraw/zinc/87/47/69/962874769.db2.gz GEPJIEWTDFHVMI-REBWPMHBSA-N -1 3 398.890 3.589 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CCNCc2ncc(C(=O)[O-])s2)cc1 ZINC000311551605 963489508 /nfs/dbraw/zinc/48/95/08/963489508.db2.gz IVOPFBKSUILUIF-UHFFFAOYSA-N -1 3 377.466 3.521 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@H]3CCC4(CCCCC4)O3)o2)C1 ZINC001605997229 973064384 /nfs/dbraw/zinc/06/43/84/973064384.db2.gz ACGFMSVYKXLZHH-SJLPKXTDSA-N -1 3 376.497 3.552 20 0 GHADHM CN(C)c1ncn(-c2cccc(NC(=O)c3cc4sccc4c([O-])c3)c2)n1 ZINC001625832932 1014215886 /nfs/dbraw/zinc/21/58/86/1014215886.db2.gz UIYZMIPUIBMWTM-UHFFFAOYSA-N -1 3 379.445 3.506 20 0 GHADHM O=c1cc(O[C@H](c2ccccc2)c2ccc(Cl)cc2)nc(N2CCOCC2)[n-]1 ZINC001226721238 1032091514 /nfs/dbraw/zinc/09/15/14/1032091514.db2.gz CVKGSWFQMRZVAR-HXUWFJFHSA-N -1 3 397.862 3.841 20 0 GHADHM C[C@@H](CN(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC001592592863 978521242 /nfs/dbraw/zinc/52/12/42/978521242.db2.gz SBALQLQWBZJSQG-JXFKEZNVSA-N -1 3 386.536 3.833 20 0 GHADHM C[C@@H](CN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1)C(=O)[O-] ZINC001592604495 978543122 /nfs/dbraw/zinc/54/31/22/978543122.db2.gz DJSKVOCSLDBQRM-KRWDZBQOSA-N -1 3 381.451 3.793 20 0 GHADHM O=C([O-])CCN(Cc1nc2ccc(Br)cc2s1)C1CCOCC1 ZINC000843040528 979330064 /nfs/dbraw/zinc/33/00/64/979330064.db2.gz JOZNUUJVQHWSNK-UHFFFAOYSA-N -1 3 399.310 3.515 20 0 GHADHM CCC(CC)(NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)C(=O)[O-] ZINC001595101444 979408106 /nfs/dbraw/zinc/40/81/06/979408106.db2.gz MMSCGHZUASTPOT-UHFFFAOYSA-N -1 3 389.521 3.674 20 0 GHADHM CC[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC001595281194 980331904 /nfs/dbraw/zinc/33/19/04/980331904.db2.gz JYWABEMVBUMNIH-SLSDUTBNSA-N -1 3 379.403 3.591 20 0 GHADHM O=C([O-])C[C@H]1CCCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000902008798 980686860 /nfs/dbraw/zinc/68/68/60/980686860.db2.gz WNWXYKSDLYSTON-OAHLLOKOSA-N -1 3 381.314 3.879 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1)C(=O)[O-] ZINC000902344630 980842787 /nfs/dbraw/zinc/84/27/87/980842787.db2.gz WZYHNKTZGAMQDR-QGZVFWFLSA-N -1 3 381.472 3.898 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000903907113 981032205 /nfs/dbraw/zinc/03/22/05/981032205.db2.gz REJKJYHFARMXGT-YOEHRIQHSA-N -1 3 382.298 3.928 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccco1 ZINC001594994434 982875905 /nfs/dbraw/zinc/87/59/05/982875905.db2.gz MJBMWZPNBIOZES-DZKIICNBSA-N -1 3 390.505 3.704 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccco1 ZINC001594995267 982891818 /nfs/dbraw/zinc/89/18/18/982891818.db2.gz VJWWFUNYAHSHPI-DYVFJYSZSA-N -1 3 396.447 3.777 20 0 GHADHM CCN1CC[C@H](NCc2cc(C)c(C(=O)[O-])o2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596410601 984002158 /nfs/dbraw/zinc/00/21/58/984002158.db2.gz QJAJPGMSRDBHDA-RDJZCZTQSA-N -1 3 382.382 3.629 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000467997273 1015119105 /nfs/dbraw/zinc/11/91/05/1015119105.db2.gz ZLNCKHFNKDKQME-CYBMUJFWSA-N -1 3 393.287 3.909 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC001594539906 986171978 /nfs/dbraw/zinc/17/19/78/986171978.db2.gz VMZOGBXYOPZIBZ-QGZVFWFLSA-N -1 3 375.472 3.639 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001594546046 986213481 /nfs/dbraw/zinc/21/34/81/986213481.db2.gz YERQJMHTCAWRCM-QZTJIDSGSA-N -1 3 395.503 3.861 20 0 GHADHM Cc1c(C(=O)[O-])c2cc(OC(=O)C3CCN(C4CC4)CC3)ccc2n1C1CC1 ZINC001599985666 986224551 /nfs/dbraw/zinc/22/45/51/986224551.db2.gz JDXBEKSQHRRFKJ-UHFFFAOYSA-N -1 3 382.460 3.763 20 0 GHADHM C[C@@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)CC[C@H]1C(=O)OC(C)(C)C ZINC001594547745 986230545 /nfs/dbraw/zinc/23/05/45/986230545.db2.gz NWUVXVVXVWXLRJ-GDBMZVCRSA-N -1 3 384.476 3.733 20 0 GHADHM C[C@@H]1CN(c2cccc3cnccc32)CCN1Cc1ccccc1CC(=O)[O-] ZINC001594576263 986417680 /nfs/dbraw/zinc/41/76/80/986417680.db2.gz VXTKYOWPRXDZGO-QGZVFWFLSA-N -1 3 375.472 3.573 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)cc(Cl)c1OC ZINC001597035406 986471928 /nfs/dbraw/zinc/47/19/28/986471928.db2.gz KCGOUIZPZVYRGP-KRWDZBQOSA-N -1 3 379.840 3.671 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(Cc3cc(C(=O)[O-])ccc3OC)CC2)cc1 ZINC001597075030 986604034 /nfs/dbraw/zinc/60/40/34/986604034.db2.gz ZSBHJNUWNSQQNE-QFIPXVFZSA-N -1 3 399.487 3.738 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001589510527 987136602 /nfs/dbraw/zinc/13/66/02/987136602.db2.gz VHPJWLDJTNLUTG-ZHRRBRCNSA-N -1 3 381.476 3.661 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001597236058 987200791 /nfs/dbraw/zinc/20/07/91/987200791.db2.gz QLGVXSSIXMXWTG-SJKOYZFVSA-N -1 3 381.881 3.610 20 0 GHADHM Cc1ccc(-c2cc(C(=O)[N-]c3cc(N4CCNC4=O)ccc3F)on2)cc1 ZINC000468196274 1015393535 /nfs/dbraw/zinc/39/35/35/1015393535.db2.gz KZSLPCKEDRJOFN-UHFFFAOYSA-N -1 3 380.379 3.571 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2N[C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001589994294 988911369 /nfs/dbraw/zinc/91/13/69/988911369.db2.gz KYVUDQNUPZNCEJ-CVEARBPZSA-N -1 3 394.899 3.845 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(CCCc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC001590035008 989054126 /nfs/dbraw/zinc/05/41/26/989054126.db2.gz OWEFWVVCSYJPEQ-KRWDZBQOSA-N -1 3 396.915 3.669 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2Cc1ccsc1C(=O)[O-] ZINC001590167959 989486288 /nfs/dbraw/zinc/48/62/88/989486288.db2.gz DOYGGNRCKNVKFJ-AUUYWEPGSA-N -1 3 380.510 3.716 20 0 GHADHM CC(C)(C)OC(=O)NCCC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001590184808 989535404 /nfs/dbraw/zinc/53/54/04/989535404.db2.gz JHUGYDRZFRWFHY-LJQANCHMSA-N -1 3 399.491 3.916 20 0 GHADHM CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001598170194 990696840 /nfs/dbraw/zinc/69/68/40/990696840.db2.gz KQZCEWLRTBYKJD-HXUWFJFHSA-N -1 3 377.444 3.962 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001598203054 990827835 /nfs/dbraw/zinc/82/78/35/990827835.db2.gz PDBSIORHPGXOQA-GOSISDBHSA-N -1 3 387.455 3.612 20 0 GHADHM CN(C)CCN(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CCCC1 ZINC001598223197 990900354 /nfs/dbraw/zinc/90/03/54/990900354.db2.gz FCANGJWXUSAOTJ-UHFFFAOYSA-N -1 3 375.494 3.938 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001598229047 990925767 /nfs/dbraw/zinc/92/57/67/990925767.db2.gz UGPVDSPLDUQRKF-UHFFFAOYSA-N -1 3 398.438 3.601 20 0 GHADHM COc1cccc([C@H]2C[C@H](NCc3oc(Br)cc3C(=O)[O-])C2)c1 ZINC001599687933 991017914 /nfs/dbraw/zinc/01/79/14/991017914.db2.gz FWUQQZUHBJPKPK-HAQNSBGRSA-N -1 3 380.238 3.785 20 0 GHADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001591210751 992046457 /nfs/dbraw/zinc/04/64/57/992046457.db2.gz AECZFUOIXFWJMX-FPOVZHCZSA-N -1 3 388.552 3.679 20 0 GHADHM Cc1ccncc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000545242638 1015695618 /nfs/dbraw/zinc/69/56/18/1015695618.db2.gz HBKIWENWVOSNPC-UHFFFAOYSA-N -1 3 399.447 3.607 20 0 GHADHM CN(Cc1ccccc1CC(=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001598529802 992765370 /nfs/dbraw/zinc/76/53/70/992765370.db2.gz YCNUGNKIVFPURF-HKUYNNGSSA-N -1 3 380.271 3.711 20 0 GHADHM CN1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@H]1Cc1ccccc1 ZINC001598612016 993795312 /nfs/dbraw/zinc/79/53/12/993795312.db2.gz OXMSRZSGZWFEDB-RTBURBONSA-N -1 3 392.421 3.690 20 0 GHADHM 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/nfs/dbraw/zinc/53/72/00/1021537200.db2.gz RPNIJQDYEMXJJB-UHFFFAOYSA-N -1 3 379.716 3.600 20 0 GHADHM C[C@H]1CC[C@](CNCc2ncc(Br)cc2Cl)(CC(=O)[O-])C1 ZINC000903993303 1021667233 /nfs/dbraw/zinc/66/72/33/1021667233.db2.gz PNBBGMREKFEHTM-ZUZCIYMTSA-N -1 3 375.694 3.868 20 0 GHADHM O=C(NCC1(c2ccc(Br)s2)CCC1)c1ccc(O)cc1[O-] ZINC001140439373 1021712134 /nfs/dbraw/zinc/71/21/34/1021712134.db2.gz FSSYZIRHSFOWOG-UHFFFAOYSA-N -1 3 382.279 3.774 20 0 GHADHM O=C(NC[C@@]1(c2ccccc2)CCCO1)c1cc([O-])cc(Br)c1 ZINC001156380202 1033007918 /nfs/dbraw/zinc/00/79/18/1033007918.db2.gz NWYMFBPZUBILEV-GOSISDBHSA-N -1 3 376.250 3.590 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCN(CC(=O)c2cccs2)CC1 ZINC001228622347 1033012737 /nfs/dbraw/zinc/01/27/37/1033012737.db2.gz HUKZVEORIMQITA-UHFFFAOYSA-N -1 3 399.468 3.595 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)c1ccccc1 ZINC001228621526 1033013105 /nfs/dbraw/zinc/01/31/05/1033013105.db2.gz BQBVOBBMHCWKIT-LJQANCHMSA-N -1 3 381.428 3.796 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C ZINC001228627225 1033016314 /nfs/dbraw/zinc/01/63/14/1033016314.db2.gz DFPJTMXKQWITNN-IOASZLSFSA-N -1 3 387.432 3.584 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001228626629 1033016350 /nfs/dbraw/zinc/01/63/50/1033016350.db2.gz AZHZDQHOPDMHEA-CQSZACIVSA-N -1 3 389.448 3.975 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cccc([O-])c1Br ZINC001140547777 1021949004 /nfs/dbraw/zinc/94/90/04/1021949004.db2.gz NVHCLLYGZXSZKY-CYBMUJFWSA-N -1 3 399.329 3.986 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc([O-])c1Br ZINC001140550505 1021951666 /nfs/dbraw/zinc/95/16/66/1021951666.db2.gz UFPGWKSULPGXSM-LBPRGKRZSA-N -1 3 385.302 3.596 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2cccc([O-])c2Br)CCC1 ZINC001140552527 1021955921 /nfs/dbraw/zinc/95/59/21/1021955921.db2.gz IKECIVIMYJESMZ-UHFFFAOYSA-N -1 3 399.329 3.988 20 0 GHADHM COc1ccc(O[C@H]2CCCN(Cc3cccc([O-])c3Br)C2)nc1 ZINC001140555493 1021958900 /nfs/dbraw/zinc/95/89/00/1021958900.db2.gz LCLKIEJCKABJGI-HNNXBMFYSA-N -1 3 393.281 3.602 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@]12C[C@H]1CCC2 ZINC001156402877 1033020000 /nfs/dbraw/zinc/02/00/00/1033020000.db2.gz XHKDTXAYCVLDNO-RFWXGWTQSA-N -1 3 378.472 3.560 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)CC12CCC2 ZINC001228699156 1033052918 /nfs/dbraw/zinc/05/29/18/1033052918.db2.gz WEGPQMIQDYCHLG-OAHLLOKOSA-N -1 3 385.468 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc(-c3cccnc3)n[n-]2)CC12CCC2 ZINC001228699156 1033052923 /nfs/dbraw/zinc/05/29/23/1033052923.db2.gz WEGPQMIQDYCHLG-OAHLLOKOSA-N -1 3 385.468 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2n[n-]c(-c3cccnc3)n2)CC12CCC2 ZINC001228699156 1033052934 /nfs/dbraw/zinc/05/29/34/1033052934.db2.gz WEGPQMIQDYCHLG-OAHLLOKOSA-N -1 3 385.468 3.568 20 0 GHADHM COc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1[O-] ZINC000754282821 1022580741 /nfs/dbraw/zinc/58/07/41/1022580741.db2.gz XFSPKMDCLWLGKB-UHFFFAOYSA-N -1 3 387.432 3.637 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC001140854410 1022707001 /nfs/dbraw/zinc/70/70/01/1022707001.db2.gz SRRSYTHENPYCEG-UXHICEINSA-N -1 3 394.515 3.911 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000754439398 1022708598 /nfs/dbraw/zinc/70/85/98/1022708598.db2.gz AZOFMPYOSALEDJ-QGZVFWFLSA-N -1 3 399.285 3.740 20 0 GHADHM [O-]c1ccc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1F ZINC001140889521 1022807817 /nfs/dbraw/zinc/80/78/17/1022807817.db2.gz UOUHUCRWEJRQOK-UWJYYQICSA-N -1 3 390.430 3.516 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)CN1c1ccc(F)c(F)c1 ZINC001140890594 1022808781 /nfs/dbraw/zinc/80/87/81/1022808781.db2.gz IWAPJMHUFGUBNF-HXUWFJFHSA-N -1 3 394.368 3.578 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001140948850 1022966076 /nfs/dbraw/zinc/96/60/76/1022966076.db2.gz DUXCYVXCLRFYED-ZWKOTPCHSA-N -1 3 389.423 3.851 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3cc(F)c([O-])c(F)c3)C1)C2 ZINC001140990785 1023104337 /nfs/dbraw/zinc/10/43/37/1023104337.db2.gz RBDKLSZKYSULTN-OPAMFIHVSA-N -1 3 387.426 3.766 20 0 GHADHM C[C@@]1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1(Cl)Cl ZINC000836588695 1023152051 /nfs/dbraw/zinc/15/20/51/1023152051.db2.gz IXSTVNFAPRDNOR-LBPRGKRZSA-N -1 3 382.085 3.538 20 0 GHADHM C[C@]1(CCNC(=O)NCc2ccc([O-])c(Br)c2)CC1(Cl)Cl ZINC000836617802 1023174599 /nfs/dbraw/zinc/17/45/99/1023174599.db2.gz DHILWBISPPTMMO-ZDUSSCGKSA-N -1 3 396.112 3.928 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000755474313 1023263902 /nfs/dbraw/zinc/26/39/02/1023263902.db2.gz CVIQYQXWUVTUDU-UHFFFAOYSA-N -1 3 376.388 3.660 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)c1[O-] ZINC001141045213 1023377157 /nfs/dbraw/zinc/37/71/57/1023377157.db2.gz JWNXTOGJIYLHTG-LLVKDONJSA-N -1 3 393.365 3.875 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccc(F)cc1 ZINC001228855591 1033136790 /nfs/dbraw/zinc/13/67/90/1033136790.db2.gz NLLRYFJEUZKHCV-SFHVURJKSA-N -1 3 394.345 3.979 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228858544 1033141075 /nfs/dbraw/zinc/14/10/75/1033141075.db2.gz SNVKGCGXUQAPPT-ACJLOTCBSA-N -1 3 375.465 3.936 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000837028642 1023962490 /nfs/dbraw/zinc/96/24/90/1023962490.db2.gz QYLPUIZGCFILHE-IAGOWNOFSA-N -1 3 388.508 3.810 20 0 GHADHM COc1ccccc1-c1nc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000837481781 1024492863 /nfs/dbraw/zinc/49/28/63/1024492863.db2.gz OIRBAINYQWREID-UHFFFAOYSA-N -1 3 383.429 3.549 20 0 GHADHM C[C@H](C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H]1OCCc2sccc21 ZINC000837740748 1024674571 /nfs/dbraw/zinc/67/45/71/1024674571.db2.gz AZJXRHRXAKMZNZ-ORAYPTAESA-N -1 3 396.468 3.904 20 0 GHADHM [O-]c1ccc(F)c(CN2CCN(CCOc3ccc(Cl)cc3)CC2)c1F ZINC001205094306 1033247746 /nfs/dbraw/zinc/24/77/46/1033247746.db2.gz SGHBOKSVRPUMTQ-UHFFFAOYSA-N -1 3 382.838 3.520 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000832026263 1025148000 /nfs/dbraw/zinc/14/80/00/1025148000.db2.gz SMNMKWUYUWJZLE-ZDUSSCGKSA-N -1 3 392.283 3.604 20 0 GHADHM O=C(N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccccc1[O-] ZINC001141482157 1025197093 /nfs/dbraw/zinc/19/70/93/1025197093.db2.gz MVAVCMNQRBFYBR-PGRDOPGGSA-N -1 3 393.414 3.712 20 0 GHADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])c2ccc(C(F)(F)F)nc12 ZINC001156834532 1033266190 /nfs/dbraw/zinc/26/61/90/1033266190.db2.gz IYTKXVNMTOKHCS-UHFFFAOYSA-N -1 3 377.322 3.924 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)c([O-])c1 ZINC001141485985 1025209926 /nfs/dbraw/zinc/20/99/26/1025209926.db2.gz XKKQLRPBTUCLRW-UHFFFAOYSA-N -1 3 380.488 3.779 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1)C(F)(F)F ZINC000832214410 1025339286 /nfs/dbraw/zinc/33/92/86/1025339286.db2.gz FNUOSFQAHSJCSF-CGTJXYLNSA-N -1 3 396.453 3.878 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229097725 1033276673 /nfs/dbraw/zinc/27/66/73/1033276673.db2.gz CEWGCDOOTBMMBA-LLVKDONJSA-N -1 3 388.258 3.639 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001461028402 1069346971 /nfs/dbraw/zinc/34/69/71/1069346971.db2.gz YQCSRZKGFHYCCX-BMFZPTHFSA-N -1 3 382.426 3.839 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3ccnc4ccccc43)CC2)[n-]n1 ZINC001162890045 1025955152 /nfs/dbraw/zinc/95/51/52/1025955152.db2.gz IQOVEHMOPPEMQP-UHFFFAOYSA-N -1 3 378.432 3.584 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3ccnc4ccccc43)CC2)n[n-]1 ZINC001162890045 1025955160 /nfs/dbraw/zinc/95/51/60/1025955160.db2.gz IQOVEHMOPPEMQP-UHFFFAOYSA-N -1 3 378.432 3.584 20 0 GHADHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1ccc2ccc(-c3ccccc3)nc2c1 ZINC001163042767 1026023955 /nfs/dbraw/zinc/02/39/55/1026023955.db2.gz YKVHAOIFQCREOO-UHFFFAOYSA-N -1 3 387.424 3.588 20 0 GHADHM O=C([N-]CC[C@H]1CN(c2ncnc3ccccc32)c2ccccc21)C(F)(F)F ZINC001163946602 1026368891 /nfs/dbraw/zinc/36/88/91/1026368891.db2.gz JODUSROPLHADIP-ZDUSSCGKSA-N -1 3 386.377 3.934 20 0 GHADHM CSc1cccnc1[N-]C(=O)c1cc(I)ccc1F ZINC001164565402 1026554991 /nfs/dbraw/zinc/55/49/91/1026554991.db2.gz UJPVKIBMTUDBAV-UHFFFAOYSA-N -1 3 388.205 3.800 20 0 GHADHM O=C(NCc1c(F)cccc1OC(F)F)c1cc([O-])cc(Br)c1 ZINC001139838030 1026655766 /nfs/dbraw/zinc/65/57/66/1026655766.db2.gz DOHLHPSTYKAEHU-UHFFFAOYSA-N -1 3 390.155 3.825 20 0 GHADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC001209869664 1027254734 /nfs/dbraw/zinc/25/47/34/1027254734.db2.gz KJBQRTHURNXQQA-GHMZBOCLSA-N -1 3 379.931 3.744 20 0 GHADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC001209869666 1027255410 /nfs/dbraw/zinc/25/54/10/1027255410.db2.gz KJBQRTHURNXQQA-QWRGUYRKSA-N -1 3 379.931 3.744 20 0 GHADHM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1Nc1cccc(Cl)c1O)OCC ZINC001210220483 1027389523 /nfs/dbraw/zinc/38/95/23/1027389523.db2.gz XKMJNMKLEWUFEB-UHFFFAOYSA-N -1 3 385.873 3.515 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)Cc1cccs1 ZINC001210328739 1027452228 /nfs/dbraw/zinc/45/22/28/1027452228.db2.gz QVCYNQUNTYLXPJ-SNVBAGLBSA-N -1 3 397.415 3.943 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)Cc1cccs1 ZINC001210328904 1027452286 /nfs/dbraw/zinc/45/22/86/1027452286.db2.gz TUJXTKHCPITCGR-JTQLQIEISA-N -1 3 392.315 3.807 20 0 GHADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Nc3cccc([O-])c3Cl)cc2)C[C@@H](C)O1 ZINC001210854814 1027681268 /nfs/dbraw/zinc/68/12/68/1027681268.db2.gz AQTHISFTZDYNMO-CHWSQXEVSA-N -1 3 396.896 3.587 20 0 GHADHM CC(C)CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1 ZINC001210950288 1027715997 /nfs/dbraw/zinc/71/59/97/1027715997.db2.gz QMSZDRWNERQWGF-UHFFFAOYSA-N -1 3 395.750 3.992 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)n1)C1CCCCC1 ZINC001211061918 1027771796 /nfs/dbraw/zinc/77/17/96/1027771796.db2.gz PJSBKVWAUOGNNS-UHFFFAOYSA-N -1 3 375.332 3.729 20 0 GHADHM COc1ccc(N[C@H]2CCc3cccc(Cl)c3C2)cc1[N-]S(C)(=O)=O ZINC000840738949 1027779323 /nfs/dbraw/zinc/77/93/23/1027779323.db2.gz KGNRAKFJRQTOIX-ZDUSSCGKSA-N -1 3 380.897 3.690 20 0 GHADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2sc(C)cc2Br)C[C@@H]1OC ZINC001211178282 1027823668 /nfs/dbraw/zinc/82/36/68/1027823668.db2.gz CIMQXKOUGICXLP-RYUDHWBXSA-N -1 3 396.372 3.691 20 0 GHADHM CC(C)c1noc([N-]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)n1 ZINC000840879918 1027917363 /nfs/dbraw/zinc/91/73/63/1027917363.db2.gz UVYYEQJWAAEOEB-UHFFFAOYSA-N -1 3 379.486 3.555 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC(C)(C)C1 ZINC001213154412 1028018612 /nfs/dbraw/zinc/01/86/12/1028018612.db2.gz GAKIVRUTHURKSP-INIZCTEOSA-N -1 3 394.320 3.784 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(Cl)c1 ZINC001142109581 1028129884 /nfs/dbraw/zinc/12/98/84/1028129884.db2.gz VOUKSLWWPSQTRX-KXBFYZLASA-N -1 3 395.286 3.906 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCn3cc(CN4CCCCC4)nc3C2)c(Cl)c1 ZINC001142111445 1028142917 /nfs/dbraw/zinc/14/29/17/1028142917.db2.gz LQEMPVQJUSLYQB-UHFFFAOYSA-N -1 3 395.334 3.897 20 0 GHADHM O=C1[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@H]2CN1c1ccsc1 ZINC001142111482 1028143007 /nfs/dbraw/zinc/14/30/07/1028143007.db2.gz MYSROCGHSNTKGA-GWCFXTLKSA-N -1 3 383.300 3.855 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccsc1)c1cccc(OC(F)(F)F)c1F ZINC001213387880 1028154270 /nfs/dbraw/zinc/15/42/70/1028154270.db2.gz ICSKDFLZISRUTO-VHSXEESVSA-N -1 3 381.372 3.620 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)CC1CCCCC1 ZINC001213526058 1028242024 /nfs/dbraw/zinc/24/20/24/1028242024.db2.gz VSRNUJAHHOHFIT-UHFFFAOYSA-N -1 3 398.834 3.572 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(N2CCCC2)cc1F)OCC ZINC001213846127 1028406994 /nfs/dbraw/zinc/40/69/94/1028406994.db2.gz NOZYTXIRXURZNP-UHFFFAOYSA-N -1 3 390.459 3.607 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1Cc1ccccc1)c1ccc(Br)cc1F ZINC001214048498 1028522754 /nfs/dbraw/zinc/52/27/54/1028522754.db2.gz KUKMHIUVLDBXLA-ZIAGYGMSSA-N -1 3 398.297 3.745 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001214169037 1028578902 /nfs/dbraw/zinc/57/89/02/1028578902.db2.gz TYUKNQSMPFWOHX-ZCFIWIBFSA-N -1 3 383.252 3.605 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2sc(SC3CCCC3)nc2C)[n-]1 ZINC000841430549 1028619679 /nfs/dbraw/zinc/61/96/79/1028619679.db2.gz PQQIQDCKESQKNS-UHFFFAOYSA-N -1 3 394.522 3.567 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2sc(SC3CCCC3)nc2C)c[n-]1 ZINC000841430549 1028619690 /nfs/dbraw/zinc/61/96/90/1028619690.db2.gz PQQIQDCKESQKNS-UHFFFAOYSA-N -1 3 394.522 3.567 20 0 GHADHM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1CCN(Cc2ccncc2)CC1 ZINC001142347018 1028729133 /nfs/dbraw/zinc/72/91/33/1028729133.db2.gz GGYYZCSJGKNLTF-UHFFFAOYSA-N -1 3 379.382 3.657 20 0 GHADHM O=c1[nH]c(-c2nc(-c3ccc4c(c3)CO[C@H]4c3ccc(F)cc3)no2)ccc1[O-] ZINC001214536085 1028781663 /nfs/dbraw/zinc/78/16/63/1028781663.db2.gz VDELVGCPHGLHJC-SFHVURJKSA-N -1 3 391.358 3.969 20 0 GHADHM CC(C)(C)OC(=O)N1CC(n2cc(Nc3c(Cl)ccc([O-])c3F)cn2)C1 ZINC001214555929 1028791657 /nfs/dbraw/zinc/79/16/57/1028791657.db2.gz BBGTXETYHUIFED-UHFFFAOYSA-N -1 3 382.823 3.917 20 0 GHADHM COc1c(F)cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1C(F)(F)F ZINC001214637157 1028828833 /nfs/dbraw/zinc/82/88/33/1028828833.db2.gz INXJXTLDNNXRRB-UHFFFAOYSA-N -1 3 398.765 3.890 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)c(C)c1OC ZINC000841795654 1028941105 /nfs/dbraw/zinc/94/11/05/1028941105.db2.gz KZAPYLMRBBOTQA-MRXNPFEDSA-N -1 3 394.265 3.690 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@@H](CC(F)F)C(=O)[O-] ZINC000841807792 1028957204 /nfs/dbraw/zinc/95/72/04/1028957204.db2.gz UMCHFYZCPGHACN-ZDUSSCGKSA-N -1 3 392.233 3.745 20 0 GHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001215055280 1029015636 /nfs/dbraw/zinc/01/56/36/1029015636.db2.gz UCYAIURHFJCMHZ-UHFFFAOYSA-N -1 3 399.875 3.847 20 0 GHADHM COc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c(Cl)c1OC ZINC001215208299 1029089928 /nfs/dbraw/zinc/08/99/28/1029089928.db2.gz OTBBUWXQFVLTRM-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM COc1cc(-c2nc(-c3cc(C)c(Br)cn3)no2)cc(OC)c1[O-] ZINC001215208098 1029090121 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GHADHM c1ccc(-c2nc(-c3cccnc3OC3CCCCC3)no2)c(-c2nnn[n-]2)c1 ZINC001216013991 1029491650 /nfs/dbraw/zinc/49/16/50/1029491650.db2.gz CNTOYIRIHRYGPR-UHFFFAOYSA-N -1 3 389.419 3.690 20 0 GHADHM c1ccc(-c2nc(-c3cccnc3OC3CCCCC3)no2)c(-c2nn[n-]n2)c1 ZINC001216013991 1029491662 /nfs/dbraw/zinc/49/16/62/1029491662.db2.gz CNTOYIRIHRYGPR-UHFFFAOYSA-N -1 3 389.419 3.690 20 0 GHADHM O=C1NCCCN1c1cc(NCc2cccc([O-])c2Br)ccc1F ZINC001461552352 1069604618 /nfs/dbraw/zinc/60/46/18/1069604618.db2.gz NIDDUQCYZRJQHQ-UHFFFAOYSA-N -1 3 394.244 3.826 20 0 GHADHM CCOc1cc(C)c(C)cc1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001216377712 1029618604 /nfs/dbraw/zinc/61/86/04/1029618604.db2.gz OZAQUGQCBXYFHO-UHFFFAOYSA-N -1 3 375.469 3.883 20 0 GHADHM [O-]c1cc(Br)cc(-c2nc(-c3ccc4c(c3)OCCO4)no2)c1 ZINC001216382958 1029620288 /nfs/dbraw/zinc/62/02/88/1029620288.db2.gz IGMBDLBBQVJROO-UHFFFAOYSA-N -1 3 375.178 3.643 20 0 GHADHM CCOC(=O)c1c([N-]c2ccn(C(=O)OC(C)(C)C)n2)sc2c1CCOC2 ZINC001216672006 1029725901 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CCCCO[C@H]1C[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(C)C ZINC001149202112 1030090700 /nfs/dbraw/zinc/09/07/00/1030090700.db2.gz HUZNYYNUGXNEHV-IRXDYDNUSA-N -1 3 378.419 3.520 20 0 GHADHM Cc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)ccc1Cl ZINC001217018652 1030095042 /nfs/dbraw/zinc/09/50/42/1030095042.db2.gz BEDOGQZHJPCXRG-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM CC(C)N1CCN(Cc2ccc(-c3c(F)cc(C(=O)[O-])cc3F)c(F)c2)CC1 ZINC001222424990 1030123052 /nfs/dbraw/zinc/12/30/52/1030123052.db2.gz MTYFCJSVXCATGM-UHFFFAOYSA-N -1 3 392.421 3.995 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2ccc(I)cc2)no1 ZINC001217084845 1030150413 /nfs/dbraw/zinc/15/04/13/1030150413.db2.gz VJKSBMABTCMJFB-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cn2c3c(cc(F)cc3c1=O)CC[C@H]2C ZINC001150156886 1030431807 /nfs/dbraw/zinc/43/18/07/1030431807.db2.gz WTGYRCQTSQPOEC-LLVKDONJSA-N -1 3 394.402 3.808 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc5c(c4)OCCC5=O)no3)c2c1 ZINC001217499907 1030442204 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382.819 3.833 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(Cl)c(OC)c2)no1 ZINC001217636422 1030560486 /nfs/dbraw/zinc/56/04/86/1030560486.db2.gz FRLKEJZIHLLRPN-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM Cc1nc2ccccc2nc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001150866786 1030689243 /nfs/dbraw/zinc/68/92/43/1030689243.db2.gz AYONDAVSIYKOPA-UHFFFAOYSA-N -1 3 379.416 3.851 20 0 GHADHM O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cc([O-])c2ccccc2c1 ZINC001151170691 1030790935 /nfs/dbraw/zinc/79/09/35/1030790935.db2.gz MKGXYHAIDZAGGY-AWEZNQCLSA-N -1 3 398.821 3.873 20 0 GHADHM Cc1cc2c(cccc2NC(=O)c2nc3cc(Br)ccc3[n-]2)nn1 ZINC001151826268 1031021299 /nfs/dbraw/zinc/02/12/99/1031021299.db2.gz BTALGCQZOJETLR-UHFFFAOYSA-N -1 3 382.221 3.829 20 0 GHADHM Cc1cc2c(cccc2NC(=O)c2nc3ccc(Br)cc3[n-]2)nn1 ZINC001151826268 1031021310 /nfs/dbraw/zinc/02/13/10/1031021310.db2.gz BTALGCQZOJETLR-UHFFFAOYSA-N -1 3 382.221 3.829 20 0 GHADHM CCOc1nnc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)[n-]1 ZINC001152342854 1031198719 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S=c1ncc(C2CC2)c(O[C@H]2CCCN(Cc3cnc(Cl)s3)C2)[n-]1 ZINC001226118495 1031797138 /nfs/dbraw/zinc/79/71/38/1031797138.db2.gz GPDNMKUDASQDMI-NSHDSACASA-N -1 3 382.942 3.796 20 0 GHADHM COC(=O)[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(Br)c1 ZINC001226119815 1031797771 /nfs/dbraw/zinc/79/77/71/1031797771.db2.gz OPMXFBHGIRZGQI-ZDUSSCGKSA-N -1 3 395.278 3.698 20 0 GHADHM C/C=C/C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OCC ZINC001153949526 1031832472 /nfs/dbraw/zinc/83/24/72/1031832472.db2.gz DSEIJBGSACSJPW-MASHWEEQSA-N -1 3 390.224 3.555 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC001154027379 1031884933 /nfs/dbraw/zinc/88/49/33/1031884933.db2.gz URPQBCDCSKRZEP-UHFFFAOYSA-N -1 3 389.451 3.955 20 0 GHADHM CC[C@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154114305 1031934315 /nfs/dbraw/zinc/93/43/15/1031934315.db2.gz BSJDOWIMEHHELT-OYHNWAKOSA-N -1 3 386.492 3.940 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCc3ccc(OC)c4ccccc34)[n-]c2c1 ZINC001154120820 1031936900 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COC(=O)[C@@H](Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1)C(F)(F)F ZINC001229268739 1033382120 /nfs/dbraw/zinc/38/21/20/1033382120.db2.gz RXOCEPQXWUIKQE-QGZVFWFLSA-N -1 3 394.301 3.648 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157105424 1033415825 /nfs/dbraw/zinc/41/58/25/1033415825.db2.gz ITDSLXSXUKKZPB-UHFFFAOYSA-N -1 3 387.480 3.937 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157105424 1033415831 /nfs/dbraw/zinc/41/58/31/1033415831.db2.gz ITDSLXSXUKKZPB-UHFFFAOYSA-N -1 3 387.480 3.937 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC001157221180 1033478635 /nfs/dbraw/zinc/47/86/35/1033478635.db2.gz FVALHVVVGMFDLZ-ULQDDVLXSA-N -1 3 397.519 3.869 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001157223140 1033480451 /nfs/dbraw/zinc/48/04/51/1033480451.db2.gz UTFOOQXLUXSHLL-YQQAZPJKSA-N -1 3 375.513 3.863 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c1 ZINC001157244019 1033489103 /nfs/dbraw/zinc/48/91/03/1033489103.db2.gz RNIVPRPYQBKOLB-FUHWJXTLSA-N -1 3 388.508 3.818 20 0 GHADHM COc1ccc([C@@H]2CC(=O)c3c(O[C@@H]4CCCN(C)C4)cc([O-])cc3O2)cc1 ZINC001229463970 1033496819 /nfs/dbraw/zinc/49/68/19/1033496819.db2.gz LNQDEOJYQOWYPB-MJGOQNOKSA-N -1 3 383.444 3.580 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3)n2)c(F)cc1F ZINC001206059920 1033702987 /nfs/dbraw/zinc/70/29/87/1033702987.db2.gz KKJHPAUSDNIVKS-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001206060181 1033703398 /nfs/dbraw/zinc/70/33/98/1033703398.db2.gz MLFCOJYMVRKAAG-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1csc2c1CCCC2 ZINC001158338575 1034031080 /nfs/dbraw/zinc/03/10/80/1034031080.db2.gz GXERPBGNAULPIX-UHFFFAOYSA-N -1 3 381.457 3.959 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1csc2c1CCCC2 ZINC001158338575 1034031091 /nfs/dbraw/zinc/03/10/91/1034031091.db2.gz 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O=C(Nc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1)OCC(F)(F)F ZINC001159063394 1034407728 /nfs/dbraw/zinc/40/77/28/1034407728.db2.gz MDWFUSJAMDIECM-UHFFFAOYSA-N -1 3 394.309 3.632 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001231118571 1034409260 /nfs/dbraw/zinc/40/92/60/1034409260.db2.gz RVTDXQHWUAYAQW-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001231118571 1034409265 /nfs/dbraw/zinc/40/92/65/1034409265.db2.gz RVTDXQHWUAYAQW-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM O=C(NC1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1)c1cccc(F)c1 ZINC001231527541 1034680846 /nfs/dbraw/zinc/68/08/46/1034680846.db2.gz MYLUNBXZVCYLEV-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)n1 ZINC001231673902 1034825204 /nfs/dbraw/zinc/82/52/04/1034825204.db2.gz RNOHKJLRYCOINP-LJQANCHMSA-N -1 3 383.492 3.890 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001231680330 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3.512 20 0 GHADHM CC(C)(C)c1ccc(CCCCC(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC001160955020 1035104351 /nfs/dbraw/zinc/10/43/51/1035104351.db2.gz SDRNWSPGGMBRSZ-UHFFFAOYSA-N -1 3 376.526 3.538 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(Br)c1F ZINC001209663206 1035346943 /nfs/dbraw/zinc/34/69/43/1035346943.db2.gz LQCVAQFQWNVZSN-QJPTWQEYSA-N -1 3 376.291 3.835 20 0 GHADHM COc1ccc(-c2noc(Cc3ccc([O-])cc3F)n2)c(Br)c1 ZINC001248142540 1035561983 /nfs/dbraw/zinc/56/19/83/1035561983.db2.gz RAJJGYAFIYYTHB-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2ccc3nc[nH]c3c2)nc1 ZINC001241692814 1035651659 /nfs/dbraw/zinc/65/16/59/1035651659.db2.gz WOGQOMBPZHGRKD-UHFFFAOYSA-N -1 3 386.383 3.704 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2ccc3[nH]cnc3c2)nc1 ZINC001241692814 1035651672 /nfs/dbraw/zinc/65/16/72/1035651672.db2.gz WOGQOMBPZHGRKD-UHFFFAOYSA-N -1 3 386.383 3.704 20 0 GHADHM CC(=O)c1ccc(F)c(-c2noc([C@@H](N)Cc3ccc([O-])c(Cl)c3)n2)c1 ZINC001248248728 1035696449 /nfs/dbraw/zinc/69/64/49/1035696449.db2.gz DZFSSTFXJVSKQM-HNNXBMFYSA-N -1 3 375.787 3.680 20 0 GHADHM CN1CCN(c2nc3ccccc3nc2-c2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001242151333 1035833916 /nfs/dbraw/zinc/83/39/16/1035833916.db2.gz KJMDUGHDXZYSIQ-UHFFFAOYSA-N -1 3 388.393 3.773 20 0 GHADHM COc1cc2ncnc(-c3cc(OC(F)(F)F)ccc3[O-])c2cc1OC(C)=O ZINC001244457344 1036509443 /nfs/dbraw/zinc/50/94/43/1036509443.db2.gz ZXYUOUXZAOBYSH-UHFFFAOYSA-N -1 3 394.305 3.835 20 0 GHADHM CCOC(=O)C(C(=O)OCC)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244553111 1036543163 /nfs/dbraw/zinc/54/31/63/1036543163.db2.gz FFNHRBHXZZEVHM-UHFFFAOYSA-N -1 3 377.824 3.626 20 0 GHADHM CCC[C@@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)c1ccccc1 ZINC001462212758 1070086845 /nfs/dbraw/zinc/08/68/45/1070086845.db2.gz UNTZFMREGIGHPC-CQSZACIVSA-N -1 3 395.550 3.742 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001247264313 1038041535 /nfs/dbraw/zinc/04/15/35/1038041535.db2.gz IZFQBAXLXBWGCG-UHFFFAOYSA-N -1 3 384.701 3.936 20 0 GHADHM CCC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H](N)CCc4nn[n-]n4)n3)cc2)CC1 ZINC001247284599 1038067600 /nfs/dbraw/zinc/06/76/00/1038067600.db2.gz XUGAJUXPPIBOCO-MPGHIAIKSA-N -1 3 395.511 3.956 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccccc3I)no2)cc1F ZINC001247565627 1038251434 /nfs/dbraw/zinc/25/14/34/1038251434.db2.gz ZBCRDHRFRZQDCA-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM [O-]c1c(Cl)ccc(CN2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001232625357 1038413825 /nfs/dbraw/zinc/41/38/25/1038413825.db2.gz BWIRFSCFAQSURN-STQMWFEESA-N -1 3 384.332 3.719 20 0 GHADHM CN(Cc1cnc(Cl)s1)Cc1ccc([O-])c(I)c1 ZINC001232867574 1038631452 /nfs/dbraw/zinc/63/14/52/1038631452.db2.gz HIQGMTBBIWVGQU-UHFFFAOYSA-N -1 3 394.665 3.739 20 0 GHADHM CN1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)c([O-])c3F)CC2)C1=O ZINC001232937077 1038718286 /nfs/dbraw/zinc/71/82/86/1038718286.db2.gz YVTDDGGZYNAIJH-QGZVFWFLSA-N -1 3 386.442 3.508 20 0 GHADHM CC(C)(C)OC(=O)NC1([C@H]2CN(Cc3cc(Cl)ncc3[O-])C[C@H]2CF)CC1 ZINC001233035856 1038789844 /nfs/dbraw/zinc/78/98/44/1038789844.db2.gz JOXRSFYPINRAQT-KGLIPLIRSA-N -1 3 399.894 3.515 20 0 GHADHM CC(C)(C)OC(=O)NC1([C@@H]2CN(Cc3cc(Cl)ncc3[O-])C[C@H]2CF)CC1 ZINC001233035861 1038791799 /nfs/dbraw/zinc/79/17/99/1038791799.db2.gz JOXRSFYPINRAQT-ZIAGYGMSSA-N -1 3 399.894 3.515 20 0 GHADHM O=C(Nc1ccccc1)c1nc2c(s1)CCN(Cc1cccc([O-])c1F)CC2 ZINC001233051179 1038806912 /nfs/dbraw/zinc/80/69/12/1038806912.db2.gz NHSFAVABGLTXBI-UHFFFAOYSA-N -1 3 397.475 3.841 20 0 GHADHM CC(C)S(=O)(=O)[N-]c1cc(Br)ccc1NC(=O)OC(C)(C)C ZINC001252545100 1039026757 /nfs/dbraw/zinc/02/67/57/1039026757.db2.gz SOPOZDBMCYWGQQ-UHFFFAOYSA-N -1 3 393.303 3.946 20 0 GHADHM Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395235 1039229670 /nfs/dbraw/zinc/22/96/70/1039229670.db2.gz QOWBQNXLXAZHEV-UHFFFAOYSA-N -1 3 396.441 3.791 20 0 GHADHM COc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(Cl)c1[O-] ZINC001233400259 1039241363 /nfs/dbraw/zinc/24/13/63/1039241363.db2.gz BHJBPGCZEIZUSK-GXTWGEPZSA-N -1 3 384.904 3.932 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(Cc1ccc(OC)c([O-])c1Cl)C2 ZINC001233400500 1039241472 /nfs/dbraw/zinc/24/14/72/1039241472.db2.gz LNYJAZXZRNRLIW-UHFFFAOYSA-N -1 3 381.881 3.851 20 0 GHADHM COc1ccc(O[C@@H]2CCCN(Cc3ccc(OC)c([O-])c3Cl)C2)nc1 ZINC001233402184 1039244931 /nfs/dbraw/zinc/24/49/31/1039244931.db2.gz FKVZZDVPAYOADS-OAHLLOKOSA-N -1 3 378.856 3.501 20 0 GHADHM COc1ccc(CN(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233401868 1039245843 /nfs/dbraw/zinc/24/58/43/1039245843.db2.gz RJXNHCDCRBTLBY-AWEZNQCLSA-N -1 3 384.904 3.886 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1)[N-]C1(c2ccccc2C(F)(F)F)COC1 ZINC001253065152 1039394370 /nfs/dbraw/zinc/39/43/70/1039394370.db2.gz VSOXQZUPPWFMIU-ZHACJKMWSA-N -1 3 383.391 3.521 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1ccc2occ([O-])c2c1)c1ccc(F)cc1 ZINC001233680716 1039532405 /nfs/dbraw/zinc/53/24/05/1039532405.db2.gz MSMKXGYAKHWOAS-QGZVFWFLSA-N -1 3 380.318 3.719 20 0 GHADHM COc1cccc(-c2nnc(-c3cc([O-])cc(I)c3)o2)c1 ZINC001253356534 1039567282 /nfs/dbraw/zinc/56/72/82/1039567282.db2.gz ORJRNNWACCIOHJ-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2cc(F)c([O-])cc2F)cc1 ZINC001253429738 1039628125 /nfs/dbraw/zinc/62/81/25/1039628125.db2.gz UWPQDZWWYMQAPB-CQSZACIVSA-N -1 3 379.403 3.598 20 0 GHADHM CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)CNc1ccc(C(N)=O)c([O-])c1 ZINC001253491417 1039672053 /nfs/dbraw/zinc/67/20/53/1039672053.db2.gz SJIZBIVLSGUSTN-OAQYLSRUSA-N -1 3 390.911 3.966 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)c(C)cc2C)c1C ZINC001254154556 1040011015 /nfs/dbraw/zinc/01/10/15/1040011015.db2.gz KSYQXSIDERPXBY-UHFFFAOYSA-N -1 3 395.546 3.741 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C)c1ccc(OC)nc1 ZINC001234607734 1040165586 /nfs/dbraw/zinc/16/55/86/1040165586.db2.gz FOXDAYHVUFTLFF-JTQLQIEISA-N -1 3 396.237 3.875 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)[C@H](F)C1 ZINC001234688034 1040218887 /nfs/dbraw/zinc/21/88/87/1040218887.db2.gz CWQCDCOFGLUAAB-HUUCEWRRSA-N 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O=C([O-])c1cc(Cl)ccc1CN(Cc1ccccc1)[C@@H]1CCNC[C@H]1F ZINC001235934402 1041438116 /nfs/dbraw/zinc/43/81/16/1041438116.db2.gz FYHJXYYDJJONCQ-RTBURBONSA-N -1 3 376.859 3.740 20 0 GHADHM Cc1c(Cl)c(-c2nc(CN)ccc2NC(=O)C(C)(C)C)ccc1C(=O)[O-] ZINC001236115159 1041546698 /nfs/dbraw/zinc/54/66/98/1041546698.db2.gz OHYKZVMLFXUZFQ-UHFFFAOYSA-N -1 3 375.856 3.852 20 0 GHADHM O=S(=O)([N-][C@H](c1cncc(C(F)(F)F)c1)C1CC1)c1ccc(F)cc1F ZINC001256117480 1041549070 /nfs/dbraw/zinc/54/90/70/1041549070.db2.gz FVTCZAYWAWHXKV-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236683094 1041829369 /nfs/dbraw/zinc/82/93/69/1041829369.db2.gz GKWHBTVYVBGUBT-UHFFFAOYSA-N -1 3 385.302 3.598 20 0 GHADHM [O-]c1cc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)ccc1Br ZINC001236683273 1041829484 /nfs/dbraw/zinc/82/94/84/1041829484.db2.gz DONNFSBDCDMUEW-MRXNPFEDSA-N -1 3 396.325 3.705 20 0 GHADHM COc1cccnc1O[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236694101 1041835974 /nfs/dbraw/zinc/83/59/74/1041835974.db2.gz DQQCYOHWYOSVQS-AWEZNQCLSA-N -1 3 393.281 3.602 20 0 GHADHM Cc1cccc(OC2CCN(Cc3ccc(Br)c([O-])c3)CC2)n1 ZINC001236695946 1041838079 /nfs/dbraw/zinc/83/80/79/1041838079.db2.gz QKBBBTIUWYRHCI-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236699414 1041840179 /nfs/dbraw/zinc/84/01/79/1041840179.db2.gz UTUGOJHRGWBGKK-UHFFFAOYSA-N -1 3 385.302 3.501 20 0 GHADHM Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001237773038 1042362698 /nfs/dbraw/zinc/36/26/98/1042362698.db2.gz IJQBWGASOQVVKE-UHFFFAOYSA-N -1 3 379.638 3.625 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCN(Cc1cc(F)c([O-])c(Cl)c1)C2 ZINC001237991270 1042446893 /nfs/dbraw/zinc/44/68/93/1042446893.db2.gz XTMZWOKEWHSMFA-GOSISDBHSA-N -1 3 380.872 3.875 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(C)cc3[O-])c2)cc1 ZINC001291547728 1043336836 /nfs/dbraw/zinc/33/68/36/1043336836.db2.gz GDRHVQMVDVNSNP-UHFFFAOYSA-N -1 3 388.467 3.869 20 0 GHADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1OCC(=O)N(C)C ZINC001291713519 1043412148 /nfs/dbraw/zinc/41/21/48/1043412148.db2.gz NDLUJVNXXRKYQX-IBGZPJMESA-N -1 3 398.503 3.864 20 0 GHADHM COc1c(F)cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1F ZINC001291857081 1043503119 /nfs/dbraw/zinc/50/31/19/1043503119.db2.gz AWPKWXFCXAZPLF-UHFFFAOYSA-N -1 3 386.354 3.911 20 0 GHADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)o2)cc1 ZINC001257341023 1043968173 /nfs/dbraw/zinc/96/81/73/1043968173.db2.gz GBLUXCHYUUEOLQ-LSDHHAIUSA-N -1 3 387.436 3.827 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Br)c1)c1c(Cl)cccc1Cl ZINC001257775647 1044164537 /nfs/dbraw/zinc/16/45/37/1044164537.db2.gz JGSSCJBSUPDSAG-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(F)ccc21)c1c(Cl)cccc1Cl ZINC001257780264 1044167484 /nfs/dbraw/zinc/16/74/84/1044167484.db2.gz LNYHFIDXNIYENC-ZDUSSCGKSA-N -1 3 376.236 3.935 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C2OCCO2)cc1)c1c(Cl)cccc1Cl ZINC001257785263 1044170098 /nfs/dbraw/zinc/17/00/98/1044170098.db2.gz CJSWXAYOSSHALS-UHFFFAOYSA-N -1 3 388.272 3.517 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(F)c1)C1CC1)c1c(Cl)cccc1Cl ZINC001257791349 1044174356 /nfs/dbraw/zinc/17/43/56/1044174356.db2.gz ROHYUPFAUWXQTH-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM COc1cccnc1[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC001257791500 1044175228 /nfs/dbraw/zinc/17/52/28/1044175228.db2.gz XDICTRGRDLSUBO-CQSZACIVSA-N -1 3 387.288 3.827 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cccc(Br)c2)c1F ZINC001257863031 1044228037 /nfs/dbraw/zinc/22/80/37/1044228037.db2.gz COHJUZTYOXTVNG-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)o1 ZINC001462822812 1070574270 /nfs/dbraw/zinc/57/42/70/1070574270.db2.gz FBWIHNHSZWBYGN-UHFFFAOYSA-N -1 3 382.894 3.886 20 0 GHADHM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1(CC)CC ZINC001294130871 1044487308 /nfs/dbraw/zinc/48/73/08/1044487308.db2.gz PJANYCNXERXBRI-JKSUJKDBSA-N -1 3 376.884 3.895 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2snc(Cl)c2Cl)c(OC)c(OC)c1 ZINC001294184685 1044512093 /nfs/dbraw/zinc/51/20/93/1044512093.db2.gz SPFJPEIPANMVHM-UHFFFAOYSA-N -1 3 391.232 3.506 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1 ZINC001294812500 1044807109 /nfs/dbraw/zinc/80/71/09/1044807109.db2.gz RNAMIENOOCNUOZ-QFYYESIMSA-N -1 3 387.785 3.818 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258893538 1044849078 /nfs/dbraw/zinc/84/90/78/1044849078.db2.gz LLHJQZVURLPEAQ-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)c(F)c1)C(=O)C2 ZINC001258973126 1044913135 /nfs/dbraw/zinc/91/31/35/1044913135.db2.gz VNMAOEAPFBSQPR-QFYYESIMSA-N -1 3 393.402 3.982 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c(F)cccc1N1CCCC1)C(=O)C2 ZINC001258987709 1044919989 /nfs/dbraw/zinc/91/99/89/1044919989.db2.gz YTQBPLPLCWLSDN-JLTOFOAXSA-N -1 3 394.512 3.563 20 0 GHADHM COc1cccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC001259062722 1044943866 /nfs/dbraw/zinc/94/38/66/1044943866.db2.gz CVNBYRHWXPTQAK-JTQLQIEISA-N -1 3 390.324 3.601 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1C(F)(F)F)C1CC1)c1ccc(F)c(F)c1 ZINC001259095005 1044958661 /nfs/dbraw/zinc/95/86/61/1044958661.db2.gz GVEXBZSVHDMOFI-CQSZACIVSA-N -1 3 392.349 3.808 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(F)(F)F)cc1 ZINC001259180005 1044994543 /nfs/dbraw/zinc/99/45/43/1044994543.db2.gz YQHYJAGGXOAZIF-OAHLLOKOSA-N -1 3 375.343 3.610 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2c(O)cc(C(F)(F)F)cc2Cl)c1 ZINC001259190161 1044999198 /nfs/dbraw/zinc/99/91/98/1044999198.db2.gz YPMHRMXXSLQEOE-UHFFFAOYSA-N -1 3 381.759 3.874 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2OC)c1 ZINC001259206549 1045010133 /nfs/dbraw/zinc/01/01/33/1045010133.db2.gz KZIRENFYSCLBDW-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)nc1Cl)c1cc(F)cc(F)c1 ZINC001259306862 1045068504 /nfs/dbraw/zinc/06/85/04/1045068504.db2.gz YKGLPXKUOINUSV-UHFFFAOYSA-N -1 3 388.701 3.713 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1Br)c1cc(F)cc(F)c1 ZINC001259306322 1045068843 /nfs/dbraw/zinc/06/88/43/1045068843.db2.gz RPGAGQIUIGMKPL-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c([O-])c1 ZINC001295836091 1045161029 /nfs/dbraw/zinc/16/10/29/1045161029.db2.gz BHJIUFAKKXXEGL-UHFFFAOYSA-N -1 3 391.836 3.926 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001295853222 1045169093 /nfs/dbraw/zinc/16/90/93/1045169093.db2.gz UREQPWMXCFBJMN-UHFFFAOYSA-N -1 3 396.487 3.580 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(Cl)c1)C1CC1)c1cccc(Cl)c1F ZINC001259472927 1045184513 /nfs/dbraw/zinc/18/45/13/1045184513.db2.gz FOYREOIONKBVAI-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccc1Cl)C1CC1)c1cccc(Cl)c1F ZINC001259473336 1045186269 /nfs/dbraw/zinc/18/62/69/1045186269.db2.gz KIAISRXSXNSORK-AWEZNQCLSA-N -1 3 375.252 3.957 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(N(CC)Cc3ccccc3)cc2)[n-]n1 ZINC001295912921 1045186749 /nfs/dbraw/zinc/18/67/49/1045186749.db2.gz NMVVHTNLSOGDTA-UHFFFAOYSA-N -1 3 392.459 3.865 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(N(CC)Cc3ccccc3)cc2)n[n-]1 ZINC001295912921 1045186758 /nfs/dbraw/zinc/18/67/58/1045186758.db2.gz NMVVHTNLSOGDTA-UHFFFAOYSA-N -1 3 392.459 3.865 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(Cl)ccc1Br ZINC001259485138 1045196144 /nfs/dbraw/zinc/19/61/44/1045196144.db2.gz XLPSAWJQBVXIHJ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1)c1cccc2ccccc21 ZINC001259740048 1045281547 /nfs/dbraw/zinc/28/15/47/1045281547.db2.gz CZSFGIVTDXNMOB-NRFANRHFSA-N -1 3 397.496 3.606 20 0 GHADHM CCc1noc(-c2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)c(Cl)c2)n1 ZINC001296280608 1045294848 /nfs/dbraw/zinc/29/48/48/1045294848.db2.gz QHDXVJRDWPSGDF-UHFFFAOYSA-N -1 3 387.779 3.639 20 0 GHADHM O=S(=O)(CCc1cccc(F)c1)[N-]c1nc(Cl)c(Cl)nc1Cl ZINC001259768390 1045295003 /nfs/dbraw/zinc/29/50/03/1045295003.db2.gz XMBUOODCCDCCLZ-UHFFFAOYSA-N -1 3 384.647 3.560 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3c(O)cccc3F)c1C)CC(C)(C)O2 ZINC001260246905 1045426927 /nfs/dbraw/zinc/42/69/27/1045426927.db2.gz MDJRTPPKCQLPSK-UHFFFAOYSA-N -1 3 379.453 3.971 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nc(C2CC2)[n-]1 ZINC001260317569 1045457880 /nfs/dbraw/zinc/45/78/80/1045457880.db2.gz UYRCLNNWFBHIED-UHFFFAOYSA-N -1 3 393.774 3.533 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(F)c1 ZINC001260331731 1045464851 /nfs/dbraw/zinc/46/48/51/1045464851.db2.gz NWWXLIRFLFRRSZ-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)n1 ZINC001297159221 1045468098 /nfs/dbraw/zinc/46/80/98/1045468098.db2.gz SHXNMNRZPFCWKN-UHFFFAOYSA-N -1 3 389.337 3.900 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1ccc(Br)cc1F ZINC001260380439 1045483914 /nfs/dbraw/zinc/48/39/14/1045483914.db2.gz JXVCMAUSGZLLDB-UHFFFAOYSA-N -1 3 384.270 3.598 20 0 GHADHM O=S(=O)([N-]c1c(Cl)ncc2ccccc21)c1cccc2nsnc21 ZINC001260383038 1045485532 /nfs/dbraw/zinc/48/55/32/1045485532.db2.gz TZCLPLAGOOSPFB-UHFFFAOYSA-N -1 3 376.850 3.694 20 0 GHADHM O=S(=O)([N-]Cc1cnccc1C(F)(F)F)c1ccc(-c2ccccn2)s1 ZINC001260526764 1045524801 /nfs/dbraw/zinc/52/48/01/1045524801.db2.gz JJJWUSOWQBCJQA-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM CC(C)n1cnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC001260559981 1045548740 /nfs/dbraw/zinc/54/87/40/1045548740.db2.gz DKDWCTFPXXEXMY-UHFFFAOYSA-N -1 3 382.700 3.903 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC001260572113 1045557856 /nfs/dbraw/zinc/55/78/56/1045557856.db2.gz HIJRSQDYBFNHHA-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)c(F)c2F)cc1 ZINC001260577633 1045563756 /nfs/dbraw/zinc/56/37/56/1045563756.db2.gz SQPBSEZPUNYWHR-UHFFFAOYSA-N -1 3 399.415 3.731 20 0 GHADHM CCOC(=O)c1coc2cc([N-]S(=O)(=O)Cc3ccccc3F)ccc12 ZINC001260628056 1045579148 /nfs/dbraw/zinc/57/91/48/1045579148.db2.gz CLQYQBOIIFBBNA-UHFFFAOYSA-N -1 3 377.393 3.691 20 0 GHADHM C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297605943 1045585788 /nfs/dbraw/zinc/58/57/88/1045585788.db2.gz DZABJNVQEGUABD-WDEREUQCSA-N -1 3 387.436 3.534 20 0 GHADHM CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001297608998 1045587269 /nfs/dbraw/zinc/58/72/69/1045587269.db2.gz DQTQMOIZDCWAIL-INIZCTEOSA-N -1 3 398.459 3.877 20 0 GHADHM Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609627 1045587432 /nfs/dbraw/zinc/58/74/32/1045587432.db2.gz IPSZIKDHTOVJNX-KBPBESRZSA-N -1 3 393.443 3.749 20 0 GHADHM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2ccccc2Cl)c(Cl)c1 ZINC001260690198 1045609438 /nfs/dbraw/zinc/60/94/38/1045609438.db2.gz PILLBBFDTOKTMP-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001260712565 1045619542 /nfs/dbraw/zinc/61/95/42/1045619542.db2.gz IMJKWVUXSILWLU-UHFFFAOYSA-N -1 3 382.869 3.648 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCC1 ZINC001260889010 1045743102 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GHADHM CC(C)CC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC001261013886 1045835798 /nfs/dbraw/zinc/83/57/98/1045835798.db2.gz LZICDPLACYAUQY-UHFFFAOYSA-N -1 3 397.434 3.966 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)ccc1Br ZINC001261044048 1045862507 /nfs/dbraw/zinc/86/25/07/1045862507.db2.gz HOAGAGHDNBCBFP-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC001261051845 1045874072 /nfs/dbraw/zinc/87/40/72/1045874072.db2.gz AZXFSCBNKXXVFC-AWEZNQCLSA-N -1 3 385.894 3.618 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1Cl ZINC001261060915 1045881209 /nfs/dbraw/zinc/88/12/09/1045881209.db2.gz JRUVUISHCOADJC-QMMMGPOBSA-N -1 3 394.301 3.881 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC)c1ccc(C)cc1 ZINC001261063269 1045882115 /nfs/dbraw/zinc/88/21/15/1045882115.db2.gz HTWCAWDKDQBXNC-GFCCVEGCSA-N -1 3 387.910 3.926 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC001261065514 1045884422 /nfs/dbraw/zinc/88/44/22/1045884422.db2.gz TYTXBBWPYNEYIJ-QWHCGFSZSA-N -1 3 399.921 3.803 20 0 GHADHM CN1CCc2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc2C1=O ZINC001261081906 1045896558 /nfs/dbraw/zinc/89/65/58/1045896558.db2.gz MVIPABVMHBCUMK-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2Cc2ccccc2)s1 ZINC001463022687 1070737274 /nfs/dbraw/zinc/73/72/74/1070737274.db2.gz CGYRXLICLLJJDF-HOTGVXAUSA-N -1 3 393.530 3.615 20 0 GHADHM COc1cc(CN[C@@](C)(C(=O)[O-])c2ccccc2)ccc1OCC(F)(F)F ZINC001262157144 1046201947 /nfs/dbraw/zinc/20/19/47/1046201947.db2.gz SBCGCMNDQDXBHM-GOSISDBHSA-N -1 3 383.366 3.726 20 0 GHADHM Cc1cc(C)cc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)nc2F)c1 ZINC001463045304 1070754637 /nfs/dbraw/zinc/75/46/37/1070754637.db2.gz DOBUZOGMAJZTHQ-NSHDSACASA-N -1 3 387.274 3.640 20 0 GHADHM Cc1cccc(CCC(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC001301891455 1046748128 /nfs/dbraw/zinc/74/81/28/1046748128.db2.gz CPVQJZSSGXEHBO-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1cccc(CCC(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC001301891455 1046748139 /nfs/dbraw/zinc/74/81/39/1046748139.db2.gz CPVQJZSSGXEHBO-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCC[C@@]23CCCOC3)s1 ZINC001264013749 1047216322 /nfs/dbraw/zinc/21/63/22/1047216322.db2.gz FHMBXHJCPVXYFC-SFHVURJKSA-N -1 3 381.498 3.665 20 0 GHADHM CCS(=O)(=O)c1ccccc1[N-]C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001264474438 1047356872 /nfs/dbraw/zinc/35/68/72/1047356872.db2.gz WRKJOGYYELRFPD-UHFFFAOYSA-N -1 3 392.383 3.666 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cc(C)cnc2Cl)cc1 ZINC001463188562 1070895428 /nfs/dbraw/zinc/89/54/28/1070895428.db2.gz XCCRXOSHVMKDMF-WMZOPIPTSA-N -1 3 394.924 3.798 20 0 GHADHM O=C(NCCC1CC=CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001303418322 1047387474 /nfs/dbraw/zinc/38/74/74/1047387474.db2.gz DTJAVSVVHDGCMX-UHFFFAOYSA-N -1 3 388.464 3.713 20 0 GHADHM C[C@H](CC(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1C(F)(F)F ZINC001303521346 1047411871 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ZINC001279855378 1047969807 /nfs/dbraw/zinc/96/98/07/1047969807.db2.gz DUZKZVWZZXJANK-UHFFFAOYSA-N -1 3 381.854 3.750 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@H]1CCn1ccnn1 ZINC001305373205 1047997989 /nfs/dbraw/zinc/99/79/89/1047997989.db2.gz XYRGMRFHRIARKS-KRWDZBQOSA-N -1 3 392.459 3.861 20 0 GHADHM CCn1ncc(Cl)c1C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001305445960 1048058167 /nfs/dbraw/zinc/05/81/67/1048058167.db2.gz LBUAFAQHXFCQAD-UHFFFAOYSA-N -1 3 376.873 3.528 20 0 GHADHM COc1cc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc(OC)c1C ZINC001305445767 1048058587 /nfs/dbraw/zinc/05/85/87/1048058587.db2.gz KDADZXPAXXCDBE-UHFFFAOYSA-N -1 3 398.488 3.983 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)nc3C3CCCCC3)nc21 ZINC001463318966 1070984472 /nfs/dbraw/zinc/98/44/72/1070984472.db2.gz YLRDLKFUUBBQGM-UHFFFAOYSA-N -1 3 395.463 3.773 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc2ccccc2c1)c1cnc(Cl)c(F)c1 ZINC001463323469 1070987172 /nfs/dbraw/zinc/98/71/72/1070987172.db2.gz KONSTUUBCQVHKQ-UHFFFAOYSA-N -1 3 394.855 3.775 20 0 GHADHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)s1 ZINC001463330564 1070991096 /nfs/dbraw/zinc/99/10/96/1070991096.db2.gz ANFFFQCNJXQQMT-UHFFFAOYSA-N -1 3 385.530 3.751 20 0 GHADHM Cc1cc(NC(=O)c2cc(F)cc(F)c2[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC001306827579 1048917091 /nfs/dbraw/zinc/91/70/91/1048917091.db2.gz VFQHHAUGNHNROF-UHFFFAOYSA-N -1 3 389.446 3.762 20 0 GHADHM CC(C)Oc1cccnc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001306828567 1048918362 /nfs/dbraw/zinc/91/83/62/1048918362.db2.gz YSHACKXEFIIQLG-UHFFFAOYSA-N -1 3 379.416 3.806 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC001306864123 1048933233 /nfs/dbraw/zinc/93/32/33/1048933233.db2.gz IURURLHZLXSJBZ-KRWDZBQOSA-N -1 3 396.491 3.972 20 0 GHADHM O=c1cc(CN2CCc3nccc(Br)c3C2)nc(-c2ccccc2)[n-]1 ZINC001307870391 1049652908 /nfs/dbraw/zinc/65/29/08/1049652908.db2.gz NZSILBUETARMTE-UHFFFAOYSA-N -1 3 397.276 3.565 20 0 GHADHM C[C@@H]1CCN(Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001307960655 1049724495 /nfs/dbraw/zinc/72/44/95/1049724495.db2.gz ORDYOCLOLLSDKO-BZNIZROVSA-N -1 3 385.817 3.777 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2cnc3ccc(Br)cc3c2[O-])cc1 ZINC001290320399 1049800954 /nfs/dbraw/zinc/80/09/54/1049800954.db2.gz GGWDFMIBCNPLOF-UHFFFAOYSA-N -1 3 385.217 3.746 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001290409877 1049831207 /nfs/dbraw/zinc/83/12/07/1049831207.db2.gz XBGQOJADCDZQMJ-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001290409877 1049831216 /nfs/dbraw/zinc/83/12/16/1049831216.db2.gz XBGQOJADCDZQMJ-UHFFFAOYSA-N -1 3 398.398 3.605 20 0 GHADHM Cc1cccc(NC(=O)CN(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1C ZINC001290569199 1049880141 /nfs/dbraw/zinc/88/01/41/1049880141.db2.gz AJXMANXAJNLTRP-UHFFFAOYSA-N -1 3 397.862 3.509 20 0 GHADHM CC(C)CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001290883058 1049943421 /nfs/dbraw/zinc/94/34/21/1049943421.db2.gz FLGHYAREGDRYRR-AWEZNQCLSA-N -1 3 383.286 3.520 20 0 GHADHM CC[C@@H](C)CS(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001309014375 1050273641 /nfs/dbraw/zinc/27/36/41/1050273641.db2.gz ZTBVQKNQCSZNLR-CQSZACIVSA-N -1 3 397.518 3.551 20 0 GHADHM CCOC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC1 ZINC001309094678 1050346441 /nfs/dbraw/zinc/34/64/41/1050346441.db2.gz SZLJIBDHNUGENB-UHFFFAOYSA-N -1 3 399.818 3.513 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)N(C)c1ccccc1 ZINC001309102217 1050355932 /nfs/dbraw/zinc/35/59/32/1050355932.db2.gz BNCOPMJOFAWNKT-HNNXBMFYSA-N -1 3 387.530 3.613 20 0 GHADHM Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC001309137464 1050392952 /nfs/dbraw/zinc/39/29/52/1050392952.db2.gz ICPZRRDCAIVUPY-UHFFFAOYSA-N -1 3 388.714 3.932 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCCC2)s1 ZINC001309144028 1050397528 /nfs/dbraw/zinc/39/75/28/1050397528.db2.gz YXBQCUOAQMDZCF-UHFFFAOYSA-N -1 3 386.489 3.774 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c(F)c1 ZINC001309163111 1050415787 /nfs/dbraw/zinc/41/57/87/1050415787.db2.gz FYLZQXAESCRKQY-LJQANCHMSA-N -1 3 391.464 3.822 20 0 GHADHM CCCCCC[C@](C)([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OCC ZINC001309168535 1050424578 /nfs/dbraw/zinc/42/45/78/1050424578.db2.gz UGSASJMPFCBBPV-SFHVURJKSA-N -1 3 391.480 3.844 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CCC(C)C)cc1)c1ccccc1 ZINC001309226379 1050492619 /nfs/dbraw/zinc/49/26/19/1050492619.db2.gz NCBDGIQODHJPFU-HXUWFJFHSA-N -1 3 389.517 3.858 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC001309235688 1050502192 /nfs/dbraw/zinc/50/21/92/1050502192.db2.gz YIMLTVOWZXXILY-INIZCTEOSA-N -1 3 392.477 3.615 20 0 GHADHM Cc1ccccc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001309291130 1050562500 /nfs/dbraw/zinc/56/25/00/1050562500.db2.gz AFBMCCPWSMMMKT-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Sc3ccccc3)c2)no1 ZINC001309337987 1050607731 /nfs/dbraw/zinc/60/77/31/1050607731.db2.gz IPBNPJNJIKPPNL-GFCCVEGCSA-N -1 3 375.475 3.569 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c(F)cc1Br ZINC001309404677 1050678517 /nfs/dbraw/zinc/67/85/17/1050678517.db2.gz JBKDMSLNDPKNPQ-VIFPVBQESA-N -1 3 378.288 3.998 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)c1 ZINC001309620401 1050869827 /nfs/dbraw/zinc/86/98/27/1050869827.db2.gz UJQCZAKEIGBMAW-SFHVURJKSA-N -1 3 383.485 3.640 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1Br ZINC001309622751 1050872444 /nfs/dbraw/zinc/87/24/44/1050872444.db2.gz QMVANZLTDXGMKV-TZMCWYRMSA-N -1 3 384.270 3.670 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001309646158 1050894804 /nfs/dbraw/zinc/89/48/04/1050894804.db2.gz BGDYHZVUSHRFRI-UHFFFAOYSA-N -1 3 381.538 3.849 20 0 GHADHM COc1cc(N)c(F)cc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001329947622 1050928070 /nfs/dbraw/zinc/92/80/70/1050928070.db2.gz FZGCUKTUMQLXIB-QMMMGPOBSA-N -1 3 391.424 3.662 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)c1cccc2ccccc21 ZINC001309863589 1051011387 /nfs/dbraw/zinc/01/13/87/1051011387.db2.gz KGKLNDNUYTVEBO-NRFANRHFSA-N -1 3 397.496 3.790 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1F ZINC001309936361 1051057727 /nfs/dbraw/zinc/05/77/27/1051057727.db2.gz RCDRFYKRFBVGIW-VIFPVBQESA-N -1 3 386.233 3.692 20 0 GHADHM CCN(CC)c1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC000905751735 1051846401 /nfs/dbraw/zinc/84/64/01/1051846401.db2.gz YAUBWTPTBNSGGB-AWEZNQCLSA-N -1 3 377.485 3.816 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001343543739 1053859561 /nfs/dbraw/zinc/85/95/61/1053859561.db2.gz MGCKGOPHZVKPFG-ZDUSSCGKSA-N -1 3 398.536 3.731 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](C)CCC[C@H](C)C(=O)[O-] ZINC001343647971 1053947152 /nfs/dbraw/zinc/94/71/52/1053947152.db2.gz KGVNCSCIRFGWME-QWHCGFSZSA-N -1 3 375.918 3.503 20 0 GHADHM COc1cc([C@H](C)NC(=O)CCc2c(C)nc[n-]c2=O)ccc1OC1CCCC1 ZINC001317895971 1054295715 /nfs/dbraw/zinc/29/57/15/1054295715.db2.gz JMZIRVVERRLJSJ-AWEZNQCLSA-N -1 3 399.491 3.631 20 0 GHADHM Cc1cccn2cc(-c3ccc(NC(=O)CCc4c(C)nc[n-]c4=O)cc3)nc12 ZINC001317908407 1054302462 /nfs/dbraw/zinc/30/24/62/1054302462.db2.gz BGFXEDRNJVPBPG-UHFFFAOYSA-N -1 3 387.443 3.685 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC001318721996 1054824643 /nfs/dbraw/zinc/82/46/43/1054824643.db2.gz GGQRYCSDQRHJEB-UHFFFAOYSA-N -1 3 388.537 3.583 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cn(C)nc3C)nc(=O)c2c1C ZINC001319489415 1055285234 /nfs/dbraw/zinc/28/52/34/1055285234.db2.gz GPEMXXKHOPMYIO-WDZFZDKYSA-N -1 3 392.868 3.661 20 0 GHADHM COc1ccc(/C=C2\N=C(c3ccc(C)s3)OC2=O)c(Br)c1[O-] ZINC001320182744 1055696545 /nfs/dbraw/zinc/69/65/45/1055696545.db2.gz HKTLIPOHKRZHEU-YFHOEESVSA-N -1 3 394.246 3.878 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC001320327413 1055754698 /nfs/dbraw/zinc/75/46/98/1055754698.db2.gz XYCNIWHSTYPKLJ-OAHLLOKOSA-N -1 3 378.831 3.968 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@](C)(c3ccccc3)C(F)(F)F)cc2o1 ZINC001320668570 1055922651 /nfs/dbraw/zinc/92/26/51/1055922651.db2.gz NOIRNPCUVPGVPT-MRXNPFEDSA-N -1 3 384.379 3.892 20 0 GHADHM O=C([N-]c1nc2ccc(Br)cc2s1)c1ncoc1-c1ccon1 ZINC001354433412 1056649647 /nfs/dbraw/zinc/64/96/47/1056649647.db2.gz SSLLYELQVUEMDK-UHFFFAOYSA-N -1 3 391.206 3.954 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3cncc(Cl)c3)c(=O)c2c1-c1ccccc1 ZINC001354458439 1056680563 /nfs/dbraw/zinc/68/05/63/1056680563.db2.gz XRWJZUDNWBDEOP-UHFFFAOYSA-N -1 3 396.859 3.866 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC001322524426 1056743501 /nfs/dbraw/zinc/74/35/01/1056743501.db2.gz GXUZPRQKFYIVLP-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC001322524426 1056743507 /nfs/dbraw/zinc/74/35/07/1056743507.db2.gz GXUZPRQKFYIVLP-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccn4c3nc(C)cc4C)c2)n1 ZINC001354533877 1056752428 /nfs/dbraw/zinc/75/24/28/1056752428.db2.gz SIVPRIDXKBXSTL-UHFFFAOYSA-N -1 3 387.443 3.928 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC001322738159 1056828678 /nfs/dbraw/zinc/82/86/78/1056828678.db2.gz JBQJEEHRTJVFJV-NSHDSACASA-N -1 3 380.275 3.876 20 0 GHADHM O=C([N-]Cc1ccc(Cl)nc1)C(F)(F)c1ccc(Br)cc1 ZINC001355096898 1057048158 /nfs/dbraw/zinc/04/81/58/1057048158.db2.gz RIQAVYDHKTYOGT-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1Br ZINC001324046151 1057060782 /nfs/dbraw/zinc/06/07/82/1057060782.db2.gz IFAYSILQPZPHOX-UHFFFAOYSA-N -1 3 399.241 3.879 20 0 GHADHM COc1ccc(C(C)C)cc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000848701321 1057250207 /nfs/dbraw/zinc/25/02/07/1057250207.db2.gz RJDVMDNFUBQUKQ-LJQANCHMSA-N -1 3 397.471 3.872 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3cc4c(cc3F)CCC(=O)N4)on2)c1 ZINC001356626093 1057577571 /nfs/dbraw/zinc/57/75/71/1057577571.db2.gz QGEHOYQNLGUDFM-UHFFFAOYSA-N -1 3 381.363 3.626 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)cc1 ZINC001356631935 1057581275 /nfs/dbraw/zinc/58/12/75/1057581275.db2.gz PYXHEGYAADHEQJ-UWWQBHOKSA-N -1 3 395.931 3.618 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001327082027 1057594274 /nfs/dbraw/zinc/59/42/74/1057594274.db2.gz ZODNCGCINQYWRF-UTUOFQBUSA-N -1 3 377.840 3.645 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(N2CCC[C@@H](n3ccnc3)C2)cc1 ZINC001337769344 1058255876 /nfs/dbraw/zinc/25/58/76/1058255876.db2.gz SQWPNFZKCONSFK-LJQANCHMSA-N -1 3 382.489 3.525 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)[C@@H](C)CC(C)C)[n-]c2c(Br)c1 ZINC001440031301 1058394208 /nfs/dbraw/zinc/39/42/08/1058394208.db2.gz ZTHZOGNQYIDSIT-VIFPVBQESA-N -1 3 382.258 3.733 20 0 GHADHM O=C(CCCOc1cccc(Br)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC001338276895 1058492947 /nfs/dbraw/zinc/49/29/47/1058492947.db2.gz ISROABJJUFHNQY-UHFFFAOYSA-N -1 3 391.225 3.625 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](c3ccccc3)N(C)C)n2)cc1 ZINC001440586321 1058539768 /nfs/dbraw/zinc/53/97/68/1058539768.db2.gz IFHDTCLSXPJPBL-HXUWFJFHSA-N -1 3 392.503 3.734 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1OC(F)F ZINC001440793676 1058621291 /nfs/dbraw/zinc/62/12/91/1058621291.db2.gz DTCYVPVVBHBSIP-VIFPVBQESA-N -1 3 394.324 3.899 20 0 GHADHM CN(C)c1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1 ZINC001440920001 1058657151 /nfs/dbraw/zinc/65/71/51/1058657151.db2.gz IUQYXEBSSVYMDM-UHFFFAOYSA-N -1 3 386.249 3.609 20 0 GHADHM CCN(CC)Cc1csc(NC(=O)c2cc([O-])cc(Br)c2)n1 ZINC001338610541 1058680305 /nfs/dbraw/zinc/68/03/05/1058680305.db2.gz AMTFPBVERIMNKQ-UHFFFAOYSA-N -1 3 384.299 3.705 20 0 GHADHM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(CC)ccc3[O-])c2)n1 ZINC001441396911 1058772869 /nfs/dbraw/zinc/77/28/69/1058772869.db2.gz LFLCNBCTFNWXSY-UHFFFAOYSA-N -1 3 379.416 3.569 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)cccc2Cl)cc1OC ZINC001441887714 1058882702 /nfs/dbraw/zinc/88/27/02/1058882702.db2.gz HIPYSWJWNSGDHF-UHFFFAOYSA-N -1 3 382.869 3.671 20 0 GHADHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001442245276 1058937637 /nfs/dbraw/zinc/93/76/37/1058937637.db2.gz KXPYJAKJWKLRFM-HNNXBMFYSA-N -1 3 390.773 3.713 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)c1C ZINC001339185866 1058998403 /nfs/dbraw/zinc/99/84/03/1058998403.db2.gz ZMKBAPOPVGLWCE-UHFFFAOYSA-N -1 3 378.253 3.709 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001340022053 1059625118 /nfs/dbraw/zinc/62/51/18/1059625118.db2.gz VVQUZXGJGRPQKA-GOSISDBHSA-N -1 3 378.480 3.727 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)N1CCc2ccccc21 ZINC001445907748 1059651707 /nfs/dbraw/zinc/65/17/07/1059651707.db2.gz DOGPDOHCTLFZRF-ZDUSSCGKSA-N -1 3 389.293 3.612 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001340187588 1059750405 /nfs/dbraw/zinc/75/04/05/1059750405.db2.gz OYELZRUFUBWXPN-UHFFFAOYSA-N -1 3 378.436 3.524 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001446870528 1059888297 /nfs/dbraw/zinc/88/82/97/1059888297.db2.gz RNQDYIUDIVXMJK-NSHDSACASA-N -1 3 376.482 3.939 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)no1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001447560242 1059981484 /nfs/dbraw/zinc/98/14/84/1059981484.db2.gz QYOGMFDCAMTZJP-UHFFFAOYSA-N -1 3 391.349 3.509 20 0 GHADHM O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)Nc1cc(Cl)ccc1[O-] ZINC001546000267 1060025921 /nfs/dbraw/zinc/02/59/21/1060025921.db2.gz ILBIMHLVRGBGPF-NSHDSACASA-N -1 3 395.640 3.873 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2cc(Br)ccc21 ZINC001340786735 1060127511 /nfs/dbraw/zinc/12/75/11/1060127511.db2.gz RCJOGUFZPIRNME-UHFFFAOYSA-N -1 3 376.254 3.579 20 0 GHADHM O=C(Nc1ccccc1Nc1ccncc1)c1cccc(Br)c1[O-] ZINC001448754468 1060260318 /nfs/dbraw/zinc/26/03/18/1060260318.db2.gz LNRXMSHKQUXEMG-UHFFFAOYSA-N -1 3 384.233 3.968 20 0 GHADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC001340947861 1060276010 /nfs/dbraw/zinc/27/60/10/1060276010.db2.gz FIGZXHGXLNOYAL-UHFFFAOYSA-N -1 3 377.506 3.855 20 0 GHADHM Cc1cc(Cl)cc(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)c1N ZINC001450069717 1060519981 /nfs/dbraw/zinc/51/99/81/1060519981.db2.gz BGQOMOWRPMFVIN-UHFFFAOYSA-N -1 3 378.823 3.816 20 0 GHADHM CC1(C)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)Cc2ccccc2O1 ZINC001450650825 1060643783 /nfs/dbraw/zinc/64/37/83/1060643783.db2.gz ZSAXIQRSBFSBED-UHFFFAOYSA-N -1 3 384.382 3.620 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001451222999 1060751683 /nfs/dbraw/zinc/75/16/83/1060751683.db2.gz MHNSTHOYDIHYDQ-UHFFFAOYSA-N -1 3 395.438 3.950 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001451222999 1060751694 /nfs/dbraw/zinc/75/16/94/1060751694.db2.gz MHNSTHOYDIHYDQ-UHFFFAOYSA-N -1 3 395.438 3.950 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)c2c(=O)n1C ZINC001452039857 1060885896 /nfs/dbraw/zinc/88/58/96/1060885896.db2.gz GJRKGBSZRKORIJ-UHFFFAOYSA-N -1 3 390.230 3.610 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001452862610 1061035016 /nfs/dbraw/zinc/03/50/16/1061035016.db2.gz POAPXXQJBXSPFW-UHFFFAOYSA-N -1 3 388.748 3.688 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOc2ccc(O)cc2C1 ZINC001453961319 1061237543 /nfs/dbraw/zinc/23/75/43/1061237543.db2.gz REBFOGOUGBNZKB-UHFFFAOYSA-N -1 3 375.424 3.723 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)c1 ZINC001346409170 1061550842 /nfs/dbraw/zinc/55/08/42/1061550842.db2.gz MLOKJRATGHBHRO-WMZOPIPTSA-N -1 3 384.476 3.661 20 0 GHADHM C[C@]1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])COc2ccccc2O1 ZINC001454013502 1061572711 /nfs/dbraw/zinc/57/27/11/1061572711.db2.gz HIHJNBOYEUCWFA-DEOSSOPVSA-N -1 3 389.451 3.943 20 0 GHADHM Cc1cccc(CO[N-]C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)n1 ZINC001454243430 1061663870 /nfs/dbraw/zinc/66/38/70/1061663870.db2.gz XFMMGVYHUXDXSM-QZTJIDSGSA-N -1 3 391.512 3.802 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC001361197127 1061713692 /nfs/dbraw/zinc/71/36/92/1061713692.db2.gz IVDSXEFGSGOKMF-MRXNPFEDSA-N -1 3 378.806 3.662 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1(C)CC1 ZINC001346654317 1061769726 /nfs/dbraw/zinc/76/97/26/1061769726.db2.gz GSVICUKPGNJYTD-QWHCGFSZSA-N -1 3 383.414 3.557 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454414018 1061773751 /nfs/dbraw/zinc/77/37/51/1061773751.db2.gz QXMTYMWJULMMKQ-FMIVXFBMSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454414018 1061773767 /nfs/dbraw/zinc/77/37/67/1061773767.db2.gz QXMTYMWJULMMKQ-FMIVXFBMSA-N -1 3 398.264 3.980 20 0 GHADHM O=C(c1ccc(Cl)cc1C(F)(F)F)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455384814 1062120508 /nfs/dbraw/zinc/12/05/08/1062120508.db2.gz BCTDVLPETBYDEE-UHFFFAOYSA-N -1 3 383.757 3.888 20 0 GHADHM C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc([O-])c(Cl)c3)cc2)C[C@H](C)O1 ZINC001455441225 1062147932 /nfs/dbraw/zinc/14/79/32/1062147932.db2.gz PGWUNFADIKJPKT-GJZGRUSLSA-N -1 3 388.895 3.585 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455676889 1062256154 /nfs/dbraw/zinc/25/61/54/1062256154.db2.gz SRCOSOFCGKGPHX-UHFFFAOYSA-N -1 3 383.492 3.699 20 0 GHADHM O=S(=O)([N-][C@H](C1CCCCC1)C(F)(F)F)c1c[nH]c(C(F)(F)F)c1 ZINC001347281073 1062266540 /nfs/dbraw/zinc/26/65/40/1062266540.db2.gz HWQDXYGNHBJKMM-LLVKDONJSA-N -1 3 378.338 3.823 20 0 GHADHM CCc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)cs2)cc1 ZINC001347622375 1062533602 /nfs/dbraw/zinc/53/36/02/1062533602.db2.gz KWBMXABCJOYJRV-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456384613 1062651003 /nfs/dbraw/zinc/65/10/03/1062651003.db2.gz NPFNPMPZHIHBSK-LLVKDONJSA-N -1 3 390.365 3.817 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001456385834 1062653000 /nfs/dbraw/zinc/65/30/00/1062653000.db2.gz ZHUPHFQUIXEHPA-SSDOTTSWSA-N -1 3 381.185 3.940 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456389325 1062655407 /nfs/dbraw/zinc/65/54/07/1062655407.db2.gz DZQJFPKTUBCWOE-YFKPBYRVSA-N -1 3 386.683 3.987 20 0 GHADHM CCOC(=O)c1oc([N-]CC(=O)Nc2c(C)cc(C)cc2C)nc1C(F)(F)F ZINC001347866262 1062736287 /nfs/dbraw/zinc/73/62/87/1062736287.db2.gz JVWUXTLYGUYAJG-UHFFFAOYSA-N -1 3 399.369 3.846 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc4ccccc4c3)nc21 ZINC001435630570 1062793870 /nfs/dbraw/zinc/79/38/70/1062793870.db2.gz DPPJZLRXYUDTOF-ZDUSSCGKSA-N -1 3 389.411 3.909 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(N2CCC(c3cn[nH]c3)CC2)cc1 ZINC001347969806 1062814862 /nfs/dbraw/zinc/81/48/62/1062814862.db2.gz OCLRYNZYDWDSBJ-UHFFFAOYSA-N -1 3 382.489 3.595 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c(C(=O)OCC)[n-]1 ZINC001435886710 1062982209 /nfs/dbraw/zinc/98/22/09/1062982209.db2.gz GZCDGTCAQSVRNJ-ZDUSSCGKSA-N -1 3 375.444 3.885 20 0 GHADHM Cc1cc(-n2cccn2)ccc1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001457148825 1062989356 /nfs/dbraw/zinc/98/93/56/1062989356.db2.gz OUTSZWLRBMJEHC-UHFFFAOYSA-N -1 3 392.846 3.606 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cnn(CC(C)C)c1C(C)C)c2=O ZINC001457717518 1063328957 /nfs/dbraw/zinc/32/89/57/1063328957.db2.gz OBJWKKGAXLFQHV-UHFFFAOYSA-N -1 3 382.464 3.765 20 0 GHADHM CC(=O)OCCCc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC001457742843 1063341342 /nfs/dbraw/zinc/34/13/42/1063341342.db2.gz LNHLODBZEVGKRO-UHFFFAOYSA-N -1 3 378.428 3.585 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cnn(-c3ccc(C)cc3C)c1)c2=O ZINC001457745789 1063343030 /nfs/dbraw/zinc/34/30/30/1063343030.db2.gz PQKACWITGTWDGV-UHFFFAOYSA-N -1 3 388.427 3.592 20 0 GHADHM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001457986561 1063486302 /nfs/dbraw/zinc/48/63/02/1063486302.db2.gz URZULCQSIUVZJV-QGZVFWFLSA-N -1 3 382.847 3.632 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001458039907 1063520420 /nfs/dbraw/zinc/52/04/20/1063520420.db2.gz QTFALWFMJPZUQD-UHFFFAOYSA-N -1 3 398.640 3.549 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC001436648004 1063592315 /nfs/dbraw/zinc/59/23/15/1063592315.db2.gz DPJPIMCGCCRJCA-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H](CC3CCCCC3)C(C)C)CC2)n1 ZINC001349459191 1063733857 /nfs/dbraw/zinc/73/38/57/1063733857.db2.gz ITDBYYUNOLPGMS-IBGZPJMESA-N -1 3 388.556 3.818 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc3ccc(SC(F)F)cc3s2)no1 ZINC001349525299 1063769892 /nfs/dbraw/zinc/76/98/92/1063769892.db2.gz MSUSNTUICZMZTE-UHFFFAOYSA-N -1 3 385.373 3.638 20 0 GHADHM Cc1c([N-]C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)noc1C(C)(C)C ZINC001438605558 1064083261 /nfs/dbraw/zinc/08/32/61/1064083261.db2.gz JQWWWRAJRXDSJY-UHFFFAOYSA-N -1 3 382.457 3.854 20 0 GHADHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccccc2F)CC[C@@H](C)c2ccccc21 ZINC001463443818 1064355217 /nfs/dbraw/zinc/35/52/17/1064355217.db2.gz JIQUBKYDECCLKF-ZUOKHONESA-N -1 3 391.389 4.000 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)c(F)c1F ZINC001463559886 1064460426 /nfs/dbraw/zinc/46/04/26/1064460426.db2.gz XWOZJHRDFGWADW-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)[C@@H]1C ZINC001463627550 1064511620 /nfs/dbraw/zinc/51/16/20/1064511620.db2.gz QDAFTLYSSCJCJB-UTUOFQBUSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)c3ccncc3)cc2)cc1 ZINC001463632176 1064514763 /nfs/dbraw/zinc/51/47/63/1064514763.db2.gz HMPHFNYGNCMGFJ-MRXNPFEDSA-N -1 3 395.484 3.933 20 0 GHADHM COc1nsc(OC)c1C(=O)[N-]c1nc(-c2ccc(OC)cc2)c(C)s1 ZINC001463750226 1064586433 /nfs/dbraw/zinc/58/64/33/1064586433.db2.gz MOUXSHPEINTENN-UHFFFAOYSA-N -1 3 391.474 3.853 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C3CC3)c2)c1 ZINC001463775381 1064605135 /nfs/dbraw/zinc/60/51/35/1064605135.db2.gz KVJRKEBJZKQJSU-ZDUSSCGKSA-N -1 3 391.464 3.838 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)sc1Cl ZINC001463897112 1064702485 /nfs/dbraw/zinc/70/24/85/1064702485.db2.gz WZTJCXJWDQCQRK-CYBMUJFWSA-N -1 3 391.967 3.954 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC001463937401 1064729499 /nfs/dbraw/zinc/72/94/99/1064729499.db2.gz ZLJSBKIWEWOHMF-JTQLQIEISA-N -1 3 394.306 3.844 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCCO1 ZINC001463974386 1064747497 /nfs/dbraw/zinc/74/74/97/1064747497.db2.gz CQLJLECUVJPYKV-RYUDHWBXSA-N -1 3 396.734 3.729 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(OC)c1 ZINC001464032241 1064779281 /nfs/dbraw/zinc/77/92/81/1064779281.db2.gz DDEPUPPPXQCMTP-HNNXBMFYSA-N -1 3 390.288 3.668 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cccc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC001464062685 1064795577 /nfs/dbraw/zinc/79/55/77/1064795577.db2.gz ZKCUIHUIUIXENR-MRXNPFEDSA-N -1 3 397.283 3.554 20 0 GHADHM CC(C)c1n[nH]cc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC001352083954 1064821464 /nfs/dbraw/zinc/82/14/64/1064821464.db2.gz HYGCDXZCRNKZAG-UHFFFAOYSA-N -1 3 383.420 3.864 20 0 GHADHM COc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C2CC2)cc1Cl ZINC000847261263 1064966383 /nfs/dbraw/zinc/96/63/83/1064966383.db2.gz OCJDXDNFYQGKFR-UHFFFAOYSA-N -1 3 389.765 3.685 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nc3ccc(Br)cn3c2F)s1 ZINC001464390135 1064983541 /nfs/dbraw/zinc/98/35/41/1064983541.db2.gz YYKZIJMBPMVLPQ-UHFFFAOYSA-N -1 3 398.261 3.682 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C2(c3cc(Cl)cc(Br)c3)CC2)o1 ZINC001464393831 1064985982 /nfs/dbraw/zinc/98/59/82/1064985982.db2.gz ZCFZZFWDTSDGRF-UHFFFAOYSA-N -1 3 390.686 3.972 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2nnc(C(C)(C)C)s2)s1 ZINC001464394156 1064986041 /nfs/dbraw/zinc/98/60/41/1064986041.db2.gz JJFYOFRKGOQYDE-UHFFFAOYSA-N -1 3 383.499 3.891 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)CC2)s1 ZINC001464665114 1065145498 /nfs/dbraw/zinc/14/54/98/1065145498.db2.gz IOTUGZXEWRMQSJ-HZPDHXFCSA-N -1 3 393.530 3.930 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3[n-]cnc3C(F)(F)F)n2)cc1OC ZINC001464853765 1065245534 /nfs/dbraw/zinc/24/55/34/1065245534.db2.gz JTUHCEDHQSFZCQ-UHFFFAOYSA-N -1 3 398.366 3.822 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3nc[n-]c3C(F)(F)F)n2)cc1OC ZINC001464853765 1065245545 /nfs/dbraw/zinc/24/55/45/1065245545.db2.gz JTUHCEDHQSFZCQ-UHFFFAOYSA-N -1 3 398.366 3.822 20 0 GHADHM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cc2c(cc1[O-])OCO2 ZINC001464982692 1065305575 /nfs/dbraw/zinc/30/55/75/1065305575.db2.gz NAVNYPUIVHIVLB-GOSISDBHSA-N -1 3 377.396 3.671 20 0 GHADHM CCCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)(C)C ZINC001465110708 1065395732 /nfs/dbraw/zinc/39/57/32/1065395732.db2.gz YBEFUYOQSMWVTQ-GOSISDBHSA-N -1 3 398.544 3.991 20 0 GHADHM CC(=O)c1cnc([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)s1 ZINC001465378986 1065575162 /nfs/dbraw/zinc/57/51/62/1065575162.db2.gz AVUFAKMARHLYAK-UHFFFAOYSA-N -1 3 397.147 3.917 20 0 GHADHM CC[C@H](c1ccccc1)N1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001465461016 1065634985 /nfs/dbraw/zinc/63/49/85/1065634985.db2.gz SPNSFUOCJUCQPE-LJQANCHMSA-N -1 3 393.462 3.989 20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC001465956628 1065937417 /nfs/dbraw/zinc/93/74/17/1065937417.db2.gz QFDQFIDFYPGZCY-KDOFPFPSSA-N -1 3 378.241 3.888 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001466137820 1065993513 /nfs/dbraw/zinc/99/35/13/1065993513.db2.gz MZNBMKPBIKYVOE-IIBYNOLFSA-N -1 3 378.513 3.852 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C ZINC001353552964 1066032056 /nfs/dbraw/zinc/03/20/56/1066032056.db2.gz MQPONKQBRWVRLF-AWEZNQCLSA-N -1 3 391.842 3.923 20 0 GHADHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466351302 1066107404 /nfs/dbraw/zinc/10/74/04/1066107404.db2.gz DLRGJZCMSFEGME-VGSWGCGISA-N -1 3 375.468 3.877 20 0 GHADHM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1cc(Br)cc(F)c1[O-] ZINC001466663917 1066241921 /nfs/dbraw/zinc/24/19/21/1066241921.db2.gz PFSFZFDHCIRRLH-UHFFFAOYSA-N -1 3 394.196 3.788 20 0 GHADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001466817941 1066334857 /nfs/dbraw/zinc/33/48/57/1066334857.db2.gz YXYJXOMFLYKSNK-SNVBAGLBSA-N -1 3 397.212 3.748 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cccnc1C(F)F ZINC001466819041 1066335921 /nfs/dbraw/zinc/33/59/21/1066335921.db2.gz OWXBDUUILLDTLR-UHFFFAOYSA-N -1 3 390.127 3.582 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(C)o1 ZINC001358185429 1067432448 /nfs/dbraw/zinc/43/24/48/1067432448.db2.gz FYGQLDWDNVVOFG-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001467801334 1067474469 /nfs/dbraw/zinc/47/44/69/1067474469.db2.gz YXIUOTRTUAAZMB-CQSZACIVSA-N -1 3 393.270 3.933 20 0 GHADHM CC[C@H](CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001467875094 1067510971 /nfs/dbraw/zinc/51/09/71/1067510971.db2.gz SLUCZVKHWAFIIR-GVDBMIGSSA-N -1 3 383.492 3.759 20 0 GHADHM O=C(Nc1c(O)cccc1Cl)c1c[n-]c2ccc(Br)cc2c1=O ZINC001468454185 1067737633 /nfs/dbraw/zinc/73/76/33/1067737633.db2.gz CYRTVRJRVSRAKV-UHFFFAOYSA-N -1 3 393.624 3.902 20 0 GHADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc(C)c1OCc1ccccn1 ZINC000849230775 1067771257 /nfs/dbraw/zinc/77/12/57/1067771257.db2.gz LXKCAHTUFVFXLV-NRFANRHFSA-N -1 3 391.471 3.978 20 0 GHADHM CC[C@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)[C@H]1CC1(C)C ZINC001469142328 1067993585 /nfs/dbraw/zinc/99/35/85/1067993585.db2.gz MEMZLTFGCSYWSW-CABCVRRESA-N -1 3 395.459 3.547 20 0 GHADHM O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1cc(F)cc2n[n-]nc21 ZINC001469205273 1068027559 /nfs/dbraw/zinc/02/75/59/1068027559.db2.gz ZJHJQJCIRLVXKD-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000763338524 1068068329 /nfs/dbraw/zinc/06/83/29/1068068329.db2.gz FLFHLMYLZDQBGB-IQGVVSCOSA-N -1 3 387.501 3.530 20 0 GHADHM O=C(NC/C=C/c1ccc(Br)cc1)NCc1ccc([O-])c(F)c1 ZINC001477988981 1078659675 /nfs/dbraw/zinc/65/96/75/1078659675.db2.gz GUODCDPLIPIKAE-OWOJBTEDSA-N -1 3 379.229 3.806 20 0 GHADHM C[C@H]1C[C@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC(C)(C)C1 ZINC001469557155 1068222318 /nfs/dbraw/zinc/22/23/18/1068222318.db2.gz FGNMWTYWSBDAPF-XQLPTFJDSA-N -1 3 376.463 3.897 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001469723879 1068338234 /nfs/dbraw/zinc/33/82/34/1068338234.db2.gz XRJZRPLSHMFVCJ-KRWDZBQOSA-N -1 3 385.876 3.573 20 0 GHADHM O=C([N-]C[C@@H]1CCCN1CC(F)F)C(F)(F)c1cc(Cl)ccc1Cl ZINC001470151418 1068597686 /nfs/dbraw/zinc/59/76/86/1068597686.db2.gz VDBOMZCROWNYAM-JTQLQIEISA-N -1 3 387.204 3.931 20 0 GHADHM CC1(C)CC[C@@H]1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478609840 1078933265 /nfs/dbraw/zinc/93/32/65/1078933265.db2.gz HBOJSQOBKJOKEM-DOMZBBRYSA-N -1 3 383.414 3.557 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)COc1ccc(-c3ccccc3)cc1Cl)C2 ZINC001470673087 1072681646 /nfs/dbraw/zinc/68/16/46/1072681646.db2.gz ASLAUPGURJPMSX-UHFFFAOYSA-N -1 3 395.846 3.732 20 0 GHADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001471113348 1072927363 /nfs/dbraw/zinc/92/73/63/1072927363.db2.gz XVZPRJFPDSTWCB-YWZLYKJASA-N -1 3 388.464 3.689 20 0 GHADHM CCOC(=O)/C=C/c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001471398338 1073052684 /nfs/dbraw/zinc/05/26/84/1073052684.db2.gz MUDOYPSUVVHLLR-VMPITWQZSA-N -1 3 390.233 3.983 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)[n-]n1 ZINC001472091104 1073330710 /nfs/dbraw/zinc/33/07/10/1073330710.db2.gz NUIJVRDCTKDHIR-UHFFFAOYSA-N -1 3 378.841 3.937 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)n[n-]1 ZINC001472091104 1073330715 /nfs/dbraw/zinc/33/07/15/1073330715.db2.gz NUIJVRDCTKDHIR-UHFFFAOYSA-N -1 3 378.841 3.937 20 0 GHADHM CC(C)(C)c1nc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cs1 ZINC001472240274 1073380235 /nfs/dbraw/zinc/38/02/35/1073380235.db2.gz BLDDHRUHOUCYAR-UHFFFAOYSA-N -1 3 398.488 3.702 20 0 GHADHM CC(C)(C)c1nc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cs1 ZINC001472240274 1073380244 /nfs/dbraw/zinc/38/02/44/1073380244.db2.gz BLDDHRUHOUCYAR-UHFFFAOYSA-N -1 3 398.488 3.702 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccc(OC(F)(F)F)c1 ZINC001472288746 1073401172 /nfs/dbraw/zinc/40/11/72/1073401172.db2.gz QQKICDGETQJRRM-AULYBMBSSA-N 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ZINC001479551966 1079228126 /nfs/dbraw/zinc/22/81/26/1079228126.db2.gz SVKHTYOXGFPWOX-NUEKZKHPSA-N -1 3 391.899 3.594 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001474776718 1074556970 /nfs/dbraw/zinc/55/69/70/1074556970.db2.gz CXUMCULYZSNBRP-UHFFFAOYSA-N -1 3 395.937 3.755 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)c1 ZINC001474825731 1074580764 /nfs/dbraw/zinc/58/07/64/1074580764.db2.gz XETGZSYEFQWPIM-QGZVFWFLSA-N -1 3 393.480 3.639 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)c1 ZINC001474825962 1074580870 /nfs/dbraw/zinc/58/08/70/1074580870.db2.gz ZGBUIOAYKVGRQP-KRWDZBQOSA-N -1 3 393.480 3.721 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)cs2)cc1F ZINC001474830362 1074582926 /nfs/dbraw/zinc/58/29/26/1074582926.db2.gz XLZSBJGHTYQRPM-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC001474877685 1074607882 /nfs/dbraw/zinc/60/78/82/1074607882.db2.gz OBFDNNDZTVBUJG-CZUORRHYSA-N -1 3 382.888 3.593 20 0 GHADHM CN(C)c1ccc(CC[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)cc1 ZINC001474910864 1074628844 /nfs/dbraw/zinc/62/88/44/1074628844.db2.gz IVXYHLLEFBAXRZ-UHFFFAOYSA-N -1 3 395.937 3.537 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCC(C)C)c1F ZINC001474927423 1074635960 /nfs/dbraw/zinc/63/59/60/1074635960.db2.gz ITLWEZWORBGCMN-JSGCOSHPSA-N -1 3 389.464 3.635 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-]CCCCCc1ccccc1)C1CCCCC1 ZINC001474927121 1074636010 /nfs/dbraw/zinc/63/60/10/1074636010.db2.gz WKAFOQBOKFVTPM-XMMPIXPASA-N -1 3 386.583 3.664 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001474943751 1074644043 /nfs/dbraw/zinc/64/40/43/1074644043.db2.gz GNUFYGLHJARPHM-NSHDSACASA-N -1 3 381.454 3.594 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1ccc(C(F)(F)F)nc1Cl ZINC001474967520 1074657737 /nfs/dbraw/zinc/65/77/37/1074657737.db2.gz OSXGEVYIMAHKHZ-NSHDSACASA-N -1 3 390.814 3.762 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(O[C@@H](C)CC(C)C)c2)cc1F ZINC001474975405 1074662570 /nfs/dbraw/zinc/66/25/70/1074662570.db2.gz MCINGPNAQIKMCF-AWEZNQCLSA-N -1 3 398.475 3.960 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1cccc(Br)c1F ZINC001474991148 1074672182 /nfs/dbraw/zinc/67/21/82/1074672182.db2.gz NCXRUVCPIMLQIF-UHFFFAOYSA-N -1 3 398.253 3.855 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1c(F)cccc1OC(F)(F)F ZINC001475031491 1074696862 /nfs/dbraw/zinc/69/68/62/1074696862.db2.gz FIBNAXISEHXPBK-WCQYABFASA-N -1 3 381.391 3.971 20 0 GHADHM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1occc1Br ZINC001475069954 1074722492 /nfs/dbraw/zinc/72/24/92/1074722492.db2.gz GQQZDAOVFPGTPN-UHFFFAOYSA-N -1 3 388.283 3.618 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-][C@@H](C3CCCCC3)C(F)(F)F)cc2s1 ZINC001475185462 1074775143 /nfs/dbraw/zinc/77/51/43/1074775143.db2.gz OMWZQNFRLGJKLL-ZDUSSCGKSA-N -1 3 394.440 3.791 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ncco1)c1cnc(Cl)c(Cl)c1 ZINC001475436049 1074874566 /nfs/dbraw/zinc/87/45/66/1074874566.db2.gz PCGRRYDZASZTSJ-AWEZNQCLSA-N -1 3 398.271 3.639 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC001475457369 1074881757 /nfs/dbraw/zinc/88/17/57/1074881757.db2.gz UXCQUEILUHXAQX-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](OCCC(C)C)CC2)c(F)c1F ZINC001475507630 1074900277 /nfs/dbraw/zinc/90/02/77/1074900277.db2.gz PGPIOFQHRVNLDL-SHTZXODSSA-N -1 3 375.481 3.925 20 0 GHADHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001475507110 1074900295 /nfs/dbraw/zinc/90/02/95/1074900295.db2.gz GTVYMCQITFBEMU-JOCQHMNTSA-N -1 3 379.444 3.756 20 0 GHADHM Cc1scc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1C ZINC001475565830 1074916038 /nfs/dbraw/zinc/91/60/38/1074916038.db2.gz NCJXLLWHOABFDV-UHFFFAOYSA-N -1 3 396.278 3.884 20 0 GHADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(CC)(CC)C(F)(F)F)c1 ZINC001475600760 1074924144 /nfs/dbraw/zinc/92/41/44/1074924144.db2.gz HCIRCXBADOQCAI-UHFFFAOYSA-N -1 3 399.406 3.649 20 0 GHADHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC001475669732 1074996679 /nfs/dbraw/zinc/99/66/79/1074996679.db2.gz SHQRXHVNRMECDZ-RDTXWAMCSA-N -1 3 397.855 3.683 20 0 GHADHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC001475682491 1074999200 /nfs/dbraw/zinc/99/92/00/1074999200.db2.gz NAOGFDZVXGMATD-MRXNPFEDSA-N -1 3 396.306 3.694 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC2(CCC2)O1)c1ccc(C(F)(F)F)nc1Cl ZINC001475714988 1075006560 /nfs/dbraw/zinc/00/65/60/1075006560.db2.gz VLIJQECSYGEVRK-SNVBAGLBSA-N -1 3 398.834 3.524 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC001475716891 1075007019 /nfs/dbraw/zinc/00/70/19/1075007019.db2.gz WAOOYUCNUQQSBJ-CQSZACIVSA-N -1 3 397.777 3.510 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC001475750521 1075014195 /nfs/dbraw/zinc/01/41/95/1075014195.db2.gz IJKVERIKOGKDNI-LLVKDONJSA-N -1 3 383.432 3.941 20 0 GHADHM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC001475751623 1075014797 /nfs/dbraw/zinc/01/47/97/1075014797.db2.gz GGUFSANWJMFJOA-XHDPSFHLSA-N -1 3 393.452 3.764 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1(C)CC1 ZINC001475752814 1075014815 /nfs/dbraw/zinc/01/48/15/1075014815.db2.gz NWIHCXDKTKHVRQ-MRVPVSSYSA-N -1 3 386.233 3.935 20 0 GHADHM O=C([O-])[C@@]1(NCc2c(F)cccc2F)CCc2cc(Br)ccc2C1 ZINC001601719854 1126226696 /nfs/dbraw/zinc/22/66/96/1126226696.db2.gz GKOKDSADNFEQFH-GOSISDBHSA-N -1 3 396.231 3.829 20 0 GHADHM COc1ccccc1-c1nc(CN[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])co1 ZINC001607335033 1126233553 /nfs/dbraw/zinc/23/35/53/1126233553.db2.gz CRKZDVFQANGBLL-NRFANRHFSA-N -1 3 384.407 3.665 20 0 GHADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(Cl)s1 ZINC000018948162 221394381 /nfs/dbraw/zinc/39/43/81/221394381.db2.gz MZXWRKNXJYLEMA-UHFFFAOYSA-N -1 3 390.848 3.872 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737447427 598831575 /nfs/dbraw/zinc/83/15/75/598831575.db2.gz BKKDNZSOGOVJAT-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737447427 598831577 /nfs/dbraw/zinc/83/15/77/598831577.db2.gz BKKDNZSOGOVJAT-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1ccccc1CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737420713 598834243 /nfs/dbraw/zinc/83/42/43/598834243.db2.gz GYYVJRCTGORFIO-UHFFFAOYSA-N -1 3 389.484 3.763 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1c(F)cccc1F ZINC000738111077 598835080 /nfs/dbraw/zinc/83/50/80/598835080.db2.gz GKJTXWFDSCZDNR-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736685506 598835357 /nfs/dbraw/zinc/83/53/57/598835357.db2.gz MHRMULKNSRMIDO-SFHVURJKSA-N -1 3 379.464 3.709 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685506 598835359 /nfs/dbraw/zinc/83/53/59/598835359.db2.gz MHRMULKNSRMIDO-SFHVURJKSA-N -1 3 379.464 3.709 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cccc(Cl)n1 ZINC000738112703 598836917 /nfs/dbraw/zinc/83/69/17/598836917.db2.gz QXBJHAUCMZXFHK-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737305294 598838663 /nfs/dbraw/zinc/83/86/63/598838663.db2.gz GQGFOVHVSMCKLV-UHFFFAOYSA-N -1 3 393.476 3.798 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737305294 598838664 /nfs/dbraw/zinc/83/86/64/598838664.db2.gz GQGFOVHVSMCKLV-UHFFFAOYSA-N -1 3 393.476 3.798 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000738150855 598839384 /nfs/dbraw/zinc/83/93/84/598839384.db2.gz KEVSJBJOLPVBBT-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000738150855 598839386 /nfs/dbraw/zinc/83/93/86/598839386.db2.gz KEVSJBJOLPVBBT-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@H]2CCCC[C@H]2C)c1C ZINC000737502641 598840355 /nfs/dbraw/zinc/84/03/55/598840355.db2.gz GRXUWVPQWGCUBF-CXAGYDPISA-N -1 3 393.495 3.824 20 0 GHADHM Cc1ccccc1-c1noc(CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737419441 598859779 /nfs/dbraw/zinc/85/97/79/598859779.db2.gz WNNHACVPXMVLNM-UHFFFAOYSA-N -1 3 376.420 3.627 20 0 GHADHM Cc1ccccc1-c1noc(CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737419441 598859780 /nfs/dbraw/zinc/85/97/80/598859780.db2.gz WNNHACVPXMVLNM-UHFFFAOYSA-N -1 3 376.420 3.627 20 0 GHADHM C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000736122679 598865306 /nfs/dbraw/zinc/86/53/06/598865306.db2.gz LWEBTBZMZZJRKQ-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000736122679 598865307 /nfs/dbraw/zinc/86/53/07/598865307.db2.gz LWEBTBZMZZJRKQ-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)CSc1ccccc1 ZINC000736036840 598884229 /nfs/dbraw/zinc/88/42/29/598884229.db2.gz IGYPLOWDWPZKKT-HUUCEWRRSA-N -1 3 398.488 3.606 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)CSc1ccccc1 ZINC000736036840 598884230 /nfs/dbraw/zinc/88/42/30/598884230.db2.gz IGYPLOWDWPZKKT-HUUCEWRRSA-N -1 3 398.488 3.606 20 0 GHADHM O=C(NCC1(c2cccc(F)c2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738039301 598904170 /nfs/dbraw/zinc/90/41/70/598904170.db2.gz MBGKEUPPQKTWJQ-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM O=C(NCC1(c2cccc(F)c2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738039301 598904173 /nfs/dbraw/zinc/90/41/73/598904173.db2.gz MBGKEUPPQKTWJQ-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM CCCN(CC1CC1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736472731 598906572 /nfs/dbraw/zinc/90/65/72/598906572.db2.gz XSPNKOOHBWKLSO-UHFFFAOYSA-N -1 3 396.520 3.927 20 0 GHADHM CCN(CC1CC1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736533800 598907861 /nfs/dbraw/zinc/90/78/61/598907861.db2.gz DPYLTXFVGSGYLS-UHFFFAOYSA-N -1 3 382.493 3.537 20 0 GHADHM CC1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000736276015 598907867 /nfs/dbraw/zinc/90/78/67/598907867.db2.gz GDXURLWIJALOBV-UHFFFAOYSA-N -1 3 382.493 3.537 20 0 GHADHM O=C(NC1CCCCCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738021403 598927264 /nfs/dbraw/zinc/92/72/64/598927264.db2.gz BWXHIABJUWNOBD-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM O=C(NC1CCCCCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738021403 598927265 /nfs/dbraw/zinc/92/72/65/598927265.db2.gz BWXHIABJUWNOBD-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM Cc1c([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cnn1-c1ccc(F)cc1 ZINC000737209486 598937539 /nfs/dbraw/zinc/93/75/39/598937539.db2.gz QVTHAJGRSFNTQU-SNVBAGLBSA-N -1 3 398.833 3.721 20 0 GHADHM Cc1c([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cnn1-c1ccc(F)cc1 ZINC000737209486 598937541 /nfs/dbraw/zinc/93/75/41/598937541.db2.gz QVTHAJGRSFNTQU-SNVBAGLBSA-N -1 3 398.833 3.721 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736399842 598942155 /nfs/dbraw/zinc/94/21/55/598942155.db2.gz KPOZRPUKIMKWRX-YOEHRIQHSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736399842 598942157 /nfs/dbraw/zinc/94/21/57/598942157.db2.gz KPOZRPUKIMKWRX-YOEHRIQHSA-N -1 3 392.463 3.753 20 0 GHADHM CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736452331 598954103 /nfs/dbraw/zinc/95/41/03/598954103.db2.gz UVAYOEWKCSCVLK-MRXNPFEDSA-N -1 3 399.520 3.727 20 0 GHADHM CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736452331 598954105 /nfs/dbraw/zinc/95/41/05/598954105.db2.gz UVAYOEWKCSCVLK-MRXNPFEDSA-N -1 3 399.520 3.727 20 0 GHADHM CCCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736450715 598959731 /nfs/dbraw/zinc/95/97/31/598959731.db2.gz CDAJDMQGFWNVGT-SFHVURJKSA-N -1 3 399.520 3.809 20 0 GHADHM CCCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736450715 598959732 /nfs/dbraw/zinc/95/97/32/598959732.db2.gz CDAJDMQGFWNVGT-SFHVURJKSA-N -1 3 399.520 3.809 20 0 GHADHM CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)c1ccccc1 ZINC000736742889 598983600 /nfs/dbraw/zinc/98/36/00/598983600.db2.gz TWMJXROXLNKKMK-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)c1ccccc1 ZINC000736742889 598983601 /nfs/dbraw/zinc/98/36/01/598983601.db2.gz TWMJXROXLNKKMK-UHFFFAOYSA-N -1 3 385.427 3.722 20 0 GHADHM CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)[C@@H](C)C(C)C ZINC000736509364 598998346 /nfs/dbraw/zinc/99/83/46/598998346.db2.gz VXXUZOYNIDHNKI-INIZCTEOSA-N -1 3 393.491 3.952 20 0 GHADHM CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)[C@@H](C)C(C)C ZINC000736509364 598998348 /nfs/dbraw/zinc/99/83/48/598998348.db2.gz VXXUZOYNIDHNKI-INIZCTEOSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CCCC1 ZINC000736123080 599007247 /nfs/dbraw/zinc/00/72/47/599007247.db2.gz NTKFQGUACWIBSV-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CCCC1 ZINC000736123080 599007250 /nfs/dbraw/zinc/00/72/50/599007250.db2.gz NTKFQGUACWIBSV-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM COc1ccc(C)cc1CSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737077661 599010426 /nfs/dbraw/zinc/01/04/26/599010426.db2.gz SAGGIBJWGNLMDA-UHFFFAOYSA-N -1 3 386.477 3.505 20 0 GHADHM COc1ccc(C)cc1CSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737077661 599010428 /nfs/dbraw/zinc/01/04/28/599010428.db2.gz SAGGIBJWGNLMDA-UHFFFAOYSA-N -1 3 386.477 3.505 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000735904408 599014809 /nfs/dbraw/zinc/01/48/09/599014809.db2.gz OMYJCKBYWPSWFN-OAHLLOKOSA-N -1 3 377.448 3.713 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000735904408 599014811 /nfs/dbraw/zinc/01/48/11/599014811.db2.gz OMYJCKBYWPSWFN-OAHLLOKOSA-N -1 3 377.448 3.713 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737190289 599026664 /nfs/dbraw/zinc/02/66/64/599026664.db2.gz FKERYERPXOKZBC-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737190289 599026666 /nfs/dbraw/zinc/02/66/66/599026666.db2.gz FKERYERPXOKZBC-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000820769498 599038522 /nfs/dbraw/zinc/03/85/22/599038522.db2.gz USHPNKUNQJANOM-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000820769498 599038525 /nfs/dbraw/zinc/03/85/25/599038525.db2.gz USHPNKUNQJANOM-DJJJIMSYSA-N -1 3 390.422 3.520 20 0 GHADHM Fc1ccccc1CSCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737670921 599039928 /nfs/dbraw/zinc/03/99/28/599039928.db2.gz XWGOVDDDUMTRGY-UHFFFAOYSA-N -1 3 398.389 3.765 20 0 GHADHM Fc1ccccc1CSCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737670921 599039931 /nfs/dbraw/zinc/03/99/31/599039931.db2.gz XWGOVDDDUMTRGY-UHFFFAOYSA-N -1 3 398.389 3.765 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737998907 599040016 /nfs/dbraw/zinc/04/00/16/599040016.db2.gz QGDVTEKABFQCGS-ZDUSSCGKSA-N -1 3 381.745 3.554 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737998907 599040019 /nfs/dbraw/zinc/04/00/19/599040019.db2.gz QGDVTEKABFQCGS-ZDUSSCGKSA-N -1 3 381.745 3.554 20 0 GHADHM CO[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000821676884 599046267 /nfs/dbraw/zinc/04/62/67/599046267.db2.gz JKKLUCSIRMNBDL-QGZVFWFLSA-N -1 3 380.839 3.868 20 0 GHADHM CO[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(Cl)cc1 ZINC000821676884 599046270 /nfs/dbraw/zinc/04/62/70/599046270.db2.gz JKKLUCSIRMNBDL-QGZVFWFLSA-N -1 3 380.839 3.868 20 0 GHADHM CC(C)COc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000735844078 599048498 /nfs/dbraw/zinc/04/84/98/599048498.db2.gz GZUYCNYEMAHITA-UHFFFAOYSA-N -1 3 392.385 3.927 20 0 GHADHM CC(C)COc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000735844078 599048500 /nfs/dbraw/zinc/04/85/00/599048500.db2.gz GZUYCNYEMAHITA-UHFFFAOYSA-N -1 3 392.385 3.927 20 0 GHADHM Cc1cccc(C2(O)CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1C ZINC000822299494 599048638 /nfs/dbraw/zinc/04/86/38/599048638.db2.gz KSAUNGWDWNBHBX-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM Cc1cccc(C2(O)CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1C ZINC000822299494 599048641 /nfs/dbraw/zinc/04/86/41/599048641.db2.gz KSAUNGWDWNBHBX-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737115384 599049955 /nfs/dbraw/zinc/04/99/55/599049955.db2.gz PFZGLNDLLGVCQS-CQSZACIVSA-N -1 3 390.369 3.779 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737115384 599049958 /nfs/dbraw/zinc/04/99/58/599049958.db2.gz PFZGLNDLLGVCQS-CQSZACIVSA-N -1 3 390.369 3.779 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819940224 599052434 /nfs/dbraw/zinc/05/24/34/599052434.db2.gz SUDOEKYKKFKFOR-HIFRSBDPSA-N -1 3 390.463 3.501 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000737632889 599054913 /nfs/dbraw/zinc/05/49/13/599054913.db2.gz OJHRBINWVINFJI-AWEZNQCLSA-N -1 3 388.397 3.740 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000737632889 599054915 /nfs/dbraw/zinc/05/49/15/599054915.db2.gz OJHRBINWVINFJI-AWEZNQCLSA-N -1 3 388.397 3.740 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000822723247 599063456 /nfs/dbraw/zinc/06/34/56/599063456.db2.gz BGCKIXUJFQBATO-GFCCVEGCSA-N -1 3 380.761 3.885 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000822723247 599063459 /nfs/dbraw/zinc/06/34/59/599063459.db2.gz BGCKIXUJFQBATO-GFCCVEGCSA-N -1 3 380.761 3.885 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736689455 599085484 /nfs/dbraw/zinc/08/54/84/599085484.db2.gz WUWHRVCHMMIZHE-KBXCAEBGSA-N -1 3 395.463 3.543 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822949976 599145131 /nfs/dbraw/zinc/14/51/31/599145131.db2.gz APGWOTSPPYQAPM-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822949976 599145134 /nfs/dbraw/zinc/14/51/34/599145134.db2.gz APGWOTSPPYQAPM-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1Oc1ccncc1 ZINC000737317836 599154050 /nfs/dbraw/zinc/15/40/50/599154050.db2.gz OKOOCJYMRXLGAH-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1Oc1ccncc1 ZINC000737317836 599154053 /nfs/dbraw/zinc/15/40/53/599154053.db2.gz OKOOCJYMRXLGAH-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1CCC(c2ccccc2)CC1 ZINC000823250464 599154605 /nfs/dbraw/zinc/15/46/05/599154605.db2.gz YGZYXMXPIGHQBV-UHFFFAOYSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1CCC(c2ccccc2)CC1 ZINC000823250464 599154608 /nfs/dbraw/zinc/15/46/08/599154608.db2.gz YGZYXMXPIGHQBV-UHFFFAOYSA-N -1 3 379.439 3.596 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735902989 599159905 /nfs/dbraw/zinc/15/99/05/599159905.db2.gz CCJVEMIWQICSMJ-CHWSQXEVSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735902989 599159907 /nfs/dbraw/zinc/15/99/07/599159907.db2.gz CCJVEMIWQICSMJ-CHWSQXEVSA-N -1 3 399.401 3.674 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822233246 599161712 /nfs/dbraw/zinc/16/17/12/599161712.db2.gz LDTDPFJTTGLWGF-DAKPBXHLSA-N -1 3 387.487 3.983 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000822233246 599161713 /nfs/dbraw/zinc/16/17/13/599161713.db2.gz LDTDPFJTTGLWGF-DAKPBXHLSA-N -1 3 387.487 3.983 20 0 GHADHM CC(C)c1ccc(CCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735922697 599165498 /nfs/dbraw/zinc/16/54/98/599165498.db2.gz IDMVXDLLQYVGDK-UHFFFAOYSA-N -1 3 399.495 3.580 20 0 GHADHM CC(C)c1ccc(CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735922697 599165501 /nfs/dbraw/zinc/16/55/01/599165501.db2.gz IDMVXDLLQYVGDK-UHFFFAOYSA-N -1 3 399.495 3.580 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737422018 599169640 /nfs/dbraw/zinc/16/96/40/599169640.db2.gz ODAWJATXOCQGNT-CHWSQXEVSA-N -1 3 385.468 3.672 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737422018 599169641 /nfs/dbraw/zinc/16/96/41/599169641.db2.gz ODAWJATXOCQGNT-CHWSQXEVSA-N -1 3 385.468 3.672 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)c1ccccc1 ZINC000735734831 599170210 /nfs/dbraw/zinc/17/02/10/599170210.db2.gz JYGRPNQOFWDUTJ-QGZVFWFLSA-N -1 3 385.468 3.786 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)c1ccccc1 ZINC000735734831 599170212 /nfs/dbraw/zinc/17/02/12/599170212.db2.gz JYGRPNQOFWDUTJ-QGZVFWFLSA-N -1 3 385.468 3.786 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736481692 599170877 /nfs/dbraw/zinc/17/08/77/599170877.db2.gz XWEUOLRKMHLQGX-UHFFFAOYSA-N -1 3 399.495 3.845 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736481692 599170881 /nfs/dbraw/zinc/17/08/81/599170881.db2.gz XWEUOLRKMHLQGX-UHFFFAOYSA-N -1 3 399.495 3.845 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821061495 599171039 /nfs/dbraw/zinc/17/10/39/599171039.db2.gz OPJMBRNHAKYTID-UHFFFAOYSA-N -1 3 396.470 3.562 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821061495 599171041 /nfs/dbraw/zinc/17/10/41/599171041.db2.gz OPJMBRNHAKYTID-UHFFFAOYSA-N -1 3 396.470 3.562 20 0 GHADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000737336896 599171422 /nfs/dbraw/zinc/17/14/22/599171422.db2.gz JLOIACSDVZCSQU-UHFFFAOYSA-N -1 3 397.479 3.598 20 0 GHADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000737336896 599171425 /nfs/dbraw/zinc/17/14/25/599171425.db2.gz JLOIACSDVZCSQU-UHFFFAOYSA-N -1 3 397.479 3.598 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736351339 599175433 /nfs/dbraw/zinc/17/54/33/599175433.db2.gz FNUWIFIZKPOBIK-MRXNPFEDSA-N -1 3 380.521 3.825 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736351339 599175435 /nfs/dbraw/zinc/17/54/35/599175435.db2.gz FNUWIFIZKPOBIK-MRXNPFEDSA-N -1 3 380.521 3.825 20 0 GHADHM CCCCc1ccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736465206 599175717 /nfs/dbraw/zinc/17/57/17/599175717.db2.gz CHKMFKYFCSRZDY-UHFFFAOYSA-N -1 3 396.520 3.575 20 0 GHADHM Cc1sc(NC(=O)c2ncoc2-c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000737304372 599178348 /nfs/dbraw/zinc/17/83/48/599178348.db2.gz XXZQKPNIWCAJMW-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM Cc1sc(NC(=O)c2ncoc2-c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000737304372 599178352 /nfs/dbraw/zinc/17/83/52/599178352.db2.gz XXZQKPNIWCAJMW-UHFFFAOYSA-N -1 3 380.433 3.761 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112198 599180847 /nfs/dbraw/zinc/18/08/47/599180847.db2.gz MTPLVEMFEQGVSI-CVEARBPZSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738112198 599180850 /nfs/dbraw/zinc/18/08/50/599180850.db2.gz MTPLVEMFEQGVSI-CVEARBPZSA-N -1 3 388.258 3.593 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000736036729 599190156 /nfs/dbraw/zinc/19/01/56/599190156.db2.gz HFMROPJNLTXGAN-KBPBESRZSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000736036729 599190159 /nfs/dbraw/zinc/19/01/59/599190159.db2.gz HFMROPJNLTXGAN-KBPBESRZSA-N -1 3 384.411 3.510 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823493011 599192031 /nfs/dbraw/zinc/19/20/31/599192031.db2.gz DJTHKMNDVBJYKI-OAQYLSRUSA-N -1 3 381.439 3.807 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823493011 599192034 /nfs/dbraw/zinc/19/20/34/599192034.db2.gz DJTHKMNDVBJYKI-OAQYLSRUSA-N -1 3 381.439 3.807 20 0 GHADHM O=C(NCC(F)(F)F)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738039964 599196482 /nfs/dbraw/zinc/19/64/82/599196482.db2.gz QJXLLYFGDQTLPQ-UHFFFAOYSA-N -1 3 397.744 3.605 20 0 GHADHM O=C(NCC(F)(F)F)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738039964 599196484 /nfs/dbraw/zinc/19/64/84/599196484.db2.gz QJXLLYFGDQTLPQ-UHFFFAOYSA-N -1 3 397.744 3.605 20 0 GHADHM CC[C@@H](CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736329922 599201151 /nfs/dbraw/zinc/20/11/51/599201151.db2.gz ALWTZKDAOCRWCR-KRWDZBQOSA-N -1 3 393.491 3.738 20 0 GHADHM CC[C@@H](CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736329922 599201154 /nfs/dbraw/zinc/20/11/54/599201154.db2.gz ALWTZKDAOCRWCR-KRWDZBQOSA-N -1 3 393.491 3.738 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299327 599202454 /nfs/dbraw/zinc/20/24/54/599202454.db2.gz FUXXOKQNLRLDBF-FQEVSTJZSA-N -1 3 391.475 3.616 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299327 599202456 /nfs/dbraw/zinc/20/24/56/599202456.db2.gz FUXXOKQNLRLDBF-FQEVSTJZSA-N -1 3 391.475 3.616 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822299319 599202769 /nfs/dbraw/zinc/20/27/69/599202769.db2.gz FJGHTERRINAQNK-FQEVSTJZSA-N -1 3 390.491 3.649 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)[C@H]1Cc2ccccc21 ZINC000738112794 599203223 /nfs/dbraw/zinc/20/32/23/599203223.db2.gz SQAWXMBISFJXHF-KRWDZBQOSA-N -1 3 387.468 3.551 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000820732915 599208185 /nfs/dbraw/zinc/20/81/85/599208185.db2.gz BAJBCJZHWNEXQP-IERDGZPVSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000820732915 599208188 /nfs/dbraw/zinc/20/81/88/599208188.db2.gz BAJBCJZHWNEXQP-IERDGZPVSA-N -1 3 391.475 3.635 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)n[nH]1 ZINC000737274982 599214877 /nfs/dbraw/zinc/21/48/77/599214877.db2.gz RUHKGSBSZPIGGM-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820519290 599220355 /nfs/dbraw/zinc/22/03/55/599220355.db2.gz QVSJWRXKVLRAOI-GFCCVEGCSA-N -1 3 397.410 3.552 20 0 GHADHM C[C@@H](OCC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820519290 599220358 /nfs/dbraw/zinc/22/03/58/599220358.db2.gz QVSJWRXKVLRAOI-GFCCVEGCSA-N -1 3 397.410 3.552 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)CC1CCOCC1 ZINC000737280910 599222857 /nfs/dbraw/zinc/22/28/57/599222857.db2.gz VKKIGLHBLJRMOW-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)CC1CCOCC1 ZINC000737280910 599222859 /nfs/dbraw/zinc/22/28/59/599222859.db2.gz VKKIGLHBLJRMOW-UHFFFAOYSA-N -1 3 393.447 3.723 20 0 GHADHM Fc1cccc(-c2nnc(CSCc3ccc(F)cc3-c3nnn[n-]3)o2)c1 ZINC000822787299 599223757 /nfs/dbraw/zinc/22/37/57/599223757.db2.gz XLHKGDTYJXRDOJ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1cccc(-c2nnc(CSCc3ccc(F)cc3-c3nn[n-]n3)o2)c1 ZINC000822787299 599223758 /nfs/dbraw/zinc/22/37/58/599223758.db2.gz XLHKGDTYJXRDOJ-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM C[C@@H](SCCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548605 599224649 /nfs/dbraw/zinc/22/46/49/599224649.db2.gz CYYSCZZRBJMNPS-LLVKDONJSA-N -1 3 389.431 3.968 20 0 GHADHM C[C@@H](SCCC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548605 599224651 /nfs/dbraw/zinc/22/46/51/599224651.db2.gz CYYSCZZRBJMNPS-LLVKDONJSA-N -1 3 389.431 3.968 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1cc(F)cc(F)c1 ZINC000822974573 599224738 /nfs/dbraw/zinc/22/47/38/599224738.db2.gz RZHNTODPKZNKKB-UHFFFAOYSA-N -1 3 393.394 3.546 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1cc(F)cc(F)c1 ZINC000822974573 599224741 /nfs/dbraw/zinc/22/47/41/599224741.db2.gz RZHNTODPKZNKKB-UHFFFAOYSA-N -1 3 393.394 3.546 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823358539 607260904 /nfs/dbraw/zinc/26/09/04/607260904.db2.gz AAQDHKZCSXLFFH-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823358539 607260905 /nfs/dbraw/zinc/26/09/05/607260905.db2.gz AAQDHKZCSXLFFH-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736353718 599232754 /nfs/dbraw/zinc/23/27/54/599232754.db2.gz QJEKNZXWEWLCOF-JKIKYLSZSA-N -1 3 375.476 3.668 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736353718 599232757 /nfs/dbraw/zinc/23/27/57/599232757.db2.gz QJEKNZXWEWLCOF-JKIKYLSZSA-N -1 3 375.476 3.668 20 0 GHADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823498577 607263288 /nfs/dbraw/zinc/26/32/88/607263288.db2.gz UYFLTMKFGXFMDF-KRWDZBQOSA-N -1 3 394.866 3.597 20 0 GHADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823498577 607263289 /nfs/dbraw/zinc/26/32/89/607263289.db2.gz UYFLTMKFGXFMDF-KRWDZBQOSA-N -1 3 394.866 3.597 20 0 GHADHM C[C@H]1COc2ccccc2N1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820813621 599227297 /nfs/dbraw/zinc/22/72/97/599227297.db2.gz KVFWBAIYOPWBIJ-JTQLQIEISA-N -1 3 386.868 3.504 20 0 GHADHM C[C@H]1COc2ccccc2N1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820813621 599227298 /nfs/dbraw/zinc/22/72/98/599227298.db2.gz KVFWBAIYOPWBIJ-JTQLQIEISA-N -1 3 386.868 3.504 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3c(F)cccc3F)n2)cccc1-c1nnn[n-]1 ZINC000822116695 607268464 /nfs/dbraw/zinc/26/84/64/607268464.db2.gz WIVZFYRZHMUEKY-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1c(NC(=O)c2csc(-c3c(F)cccc3F)n2)cccc1-c1nn[n-]n1 ZINC000822116695 607268465 /nfs/dbraw/zinc/26/84/65/607268465.db2.gz WIVZFYRZHMUEKY-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1c(NC(=O)c2csc(Cc3ccc(F)cc3)n2)cccc1-c1nnn[n-]1 ZINC000822115287 607269897 /nfs/dbraw/zinc/26/98/97/607269897.db2.gz ADKXMQYNGASUCZ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(NC(=O)c2csc(Cc3ccc(F)cc3)n2)cccc1-c1nn[n-]n1 ZINC000822115287 607269898 /nfs/dbraw/zinc/26/98/98/607269898.db2.gz ADKXMQYNGASUCZ-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000737188570 599247479 /nfs/dbraw/zinc/24/74/79/599247479.db2.gz CBUATISJRCABKU-KWCYVHTRSA-N -1 3 398.536 3.560 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736230867 599248543 /nfs/dbraw/zinc/24/85/43/599248543.db2.gz AAIOGAKIJFLGGR-AUUYWEPGSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736230867 599248545 /nfs/dbraw/zinc/24/85/45/599248545.db2.gz AAIOGAKIJFLGGR-AUUYWEPGSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736230876 599248562 /nfs/dbraw/zinc/24/85/62/599248562.db2.gz AAIOGAKIJFLGGR-KUHUBIRLSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736230876 599248564 /nfs/dbraw/zinc/24/85/64/599248564.db2.gz AAIOGAKIJFLGGR-KUHUBIRLSA-N -1 3 379.439 3.548 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822207287 599250546 /nfs/dbraw/zinc/25/05/46/599250546.db2.gz QOUZBVVIMNHEGQ-HNNXBMFYSA-N -1 3 391.479 3.658 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822207287 599250548 /nfs/dbraw/zinc/25/05/48/599250548.db2.gz QOUZBVVIMNHEGQ-HNNXBMFYSA-N -1 3 391.479 3.658 20 0 GHADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821872441 599250771 /nfs/dbraw/zinc/25/07/71/599250771.db2.gz MUDGAXGZHBSBPG-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821872441 599250774 /nfs/dbraw/zinc/25/07/74/599250774.db2.gz MUDGAXGZHBSBPG-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822091394 607280545 /nfs/dbraw/zinc/28/05/45/607280545.db2.gz QJTWBEXCNHEYGW-LLVKDONJSA-N -1 3 379.449 3.668 20 0 GHADHM Cc1c(NC(=O)N[C@H](C)c2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822091394 607280546 /nfs/dbraw/zinc/28/05/46/607280546.db2.gz QJTWBEXCNHEYGW-LLVKDONJSA-N -1 3 379.449 3.668 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2CCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822083955 607281287 /nfs/dbraw/zinc/28/12/87/607281287.db2.gz FZFAJZZWLBCLAO-QGZVFWFLSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2CCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822083955 607281288 /nfs/dbraw/zinc/28/12/88/607281288.db2.gz FZFAJZZWLBCLAO-QGZVFWFLSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1c(NC(=O)N2CCCCC[C@H]2c2ccncc2)cccc1-c1nnn[n-]1 ZINC000822084246 607284904 /nfs/dbraw/zinc/28/49/04/607284904.db2.gz HQFSZVQXUFGMNP-SFHVURJKSA-N -1 3 377.452 3.719 20 0 GHADHM Cc1c(NC(=O)N2CCCCC[C@H]2c2ccncc2)cccc1-c1nn[n-]n1 ZINC000822084246 607284905 /nfs/dbraw/zinc/28/49/05/607284905.db2.gz HQFSZVQXUFGMNP-SFHVURJKSA-N -1 3 377.452 3.719 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822084984 607286395 /nfs/dbraw/zinc/28/63/95/607286395.db2.gz UVFKZULCBIGAPR-SWLSCSKDSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1c(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822084984 607286396 /nfs/dbraw/zinc/28/63/96/607286396.db2.gz UVFKZULCBIGAPR-SWLSCSKDSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1c(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822097000 607286660 /nfs/dbraw/zinc/28/66/60/607286660.db2.gz RXJAFMNQNNHVKU-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM Cc1c(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822097000 607286661 /nfs/dbraw/zinc/28/66/61/607286661.db2.gz RXJAFMNQNNHVKU-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351624 599259490 /nfs/dbraw/zinc/25/94/90/599259490.db2.gz QISZHNIMMIUAPV-IFXJQAMLSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351624 599259492 /nfs/dbraw/zinc/25/94/92/599259492.db2.gz QISZHNIMMIUAPV-IFXJQAMLSA-N -1 3 396.470 3.633 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000820919450 599262933 /nfs/dbraw/zinc/26/29/33/599262933.db2.gz CBBVWFFROCXUAQ-HNAYVOBHSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000820919450 599262934 /nfs/dbraw/zinc/26/29/34/599262934.db2.gz CBBVWFFROCXUAQ-HNAYVOBHSA-N -1 3 392.507 3.983 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000820152018 599263820 /nfs/dbraw/zinc/26/38/20/599263820.db2.gz QVIUJYPMULDFPX-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000820152018 599263822 /nfs/dbraw/zinc/26/38/22/599263822.db2.gz QVIUJYPMULDFPX-UHFFFAOYSA-N -1 3 384.484 3.842 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390747 599265342 /nfs/dbraw/zinc/26/53/42/599265342.db2.gz WRJVKBQHYCOHEJ-HXUWFJFHSA-N -1 3 390.491 3.731 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823182994 599267826 /nfs/dbraw/zinc/26/78/26/599267826.db2.gz QUALIVGAIYNHSB-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823182994 599267828 /nfs/dbraw/zinc/26/78/28/599267828.db2.gz QUALIVGAIYNHSB-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000822217825 599272773 /nfs/dbraw/zinc/27/27/73/599272773.db2.gz OYHOANAFNHCTCR-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000822217825 599272775 /nfs/dbraw/zinc/27/27/75/599272775.db2.gz OYHOANAFNHCTCR-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000736487069 599276956 /nfs/dbraw/zinc/27/69/56/599276956.db2.gz BQHTYCZNVOYFGO-UHFFFAOYSA-N -1 3 390.369 3.960 20 0 GHADHM O=C(NCCC1CC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823181595 599282748 /nfs/dbraw/zinc/28/27/48/599282748.db2.gz BAVHHQFBGXVPMK-UHFFFAOYSA-N -1 3 396.426 3.506 20 0 GHADHM O=C(NCCC1CC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823181595 599282750 /nfs/dbraw/zinc/28/27/50/599282750.db2.gz BAVHHQFBGXVPMK-UHFFFAOYSA-N -1 3 396.426 3.506 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380355 599283185 /nfs/dbraw/zinc/28/31/85/599283185.db2.gz QWHBIHAIZGBJPF-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380355 599283187 /nfs/dbraw/zinc/28/31/87/599283187.db2.gz QWHBIHAIZGBJPF-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823181993 599283361 /nfs/dbraw/zinc/28/33/61/599283361.db2.gz GYQZWRJWJKOXKW-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823181993 599283362 /nfs/dbraw/zinc/28/33/62/599283362.db2.gz GYQZWRJWJKOXKW-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000819988333 599285634 /nfs/dbraw/zinc/28/56/34/599285634.db2.gz YGFBSBJSLDVHPR-UHFFFAOYSA-N -1 3 390.369 3.942 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000819988333 599285637 /nfs/dbraw/zinc/28/56/37/599285637.db2.gz YGFBSBJSLDVHPR-UHFFFAOYSA-N -1 3 390.369 3.942 20 0 GHADHM COc1ccc(Cc2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737098618 599285686 /nfs/dbraw/zinc/28/56/86/599285686.db2.gz VTXHTDRWFKHYNA-GFCCVEGCSA-N -1 3 394.460 3.702 20 0 GHADHM COc1ccc(Cc2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737098618 599285691 /nfs/dbraw/zinc/28/56/91/599285691.db2.gz VTXHTDRWFKHYNA-GFCCVEGCSA-N -1 3 394.460 3.702 20 0 GHADHM COc1ccc(Cc2nnc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737098620 599285818 /nfs/dbraw/zinc/28/58/18/599285818.db2.gz VTXHTDRWFKHYNA-LBPRGKRZSA-N -1 3 394.460 3.702 20 0 GHADHM COc1ccc(Cc2nnc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737098620 599285821 /nfs/dbraw/zinc/28/58/21/599285821.db2.gz VTXHTDRWFKHYNA-LBPRGKRZSA-N -1 3 394.460 3.702 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823250535 599287642 /nfs/dbraw/zinc/28/76/42/599287642.db2.gz ZVCHWUZOFWQLNQ-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823250535 599287645 /nfs/dbraw/zinc/28/76/45/599287645.db2.gz ZVCHWUZOFWQLNQ-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000822427650 599289844 /nfs/dbraw/zinc/28/98/44/599289844.db2.gz SOYQVGFSTMCABB-ZETCQYMHSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000822427650 599289846 /nfs/dbraw/zinc/28/98/46/599289846.db2.gz SOYQVGFSTMCABB-ZETCQYMHSA-N -1 3 397.386 3.533 20 0 GHADHM COc1cccc(NC(=O)[C@@H](NC2CCC(C(=O)[O-])CC2)c2ccccc2)c1 ZINC000820870842 598135906 /nfs/dbraw/zinc/13/59/06/598135906.db2.gz CDEIVVDUTBWSAJ-UHYCVJNDSA-N -1 3 382.460 3.608 20 0 GHADHM COC(=O)[C@@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642401 607346185 /nfs/dbraw/zinc/34/61/85/607346185.db2.gz IQLMEUYDZGSJFR-MSOLQXFVSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642401 607346186 /nfs/dbraw/zinc/34/61/86/607346186.db2.gz IQLMEUYDZGSJFR-MSOLQXFVSA-N -1 3 399.882 3.721 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc(Cl)ccn1 ZINC000738183024 598231366 /nfs/dbraw/zinc/23/13/66/598231366.db2.gz HVWNRZMRKKWJMQ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM Cc1ncsc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737498524 598232185 /nfs/dbraw/zinc/23/21/85/598232185.db2.gz GSJZRBYGYLRSLC-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncsc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737498524 598232187 /nfs/dbraw/zinc/23/21/87/598232187.db2.gz GSJZRBYGYLRSLC-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM CCOc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000736624555 598239592 /nfs/dbraw/zinc/23/95/92/598239592.db2.gz CQMJFZGJKNGKLG-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(OCc2ccccn2)cc1 ZINC000737644765 598241229 /nfs/dbraw/zinc/24/12/29/598241229.db2.gz LRYYGWHMKGMKAW-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000737644701 598242206 /nfs/dbraw/zinc/24/22/06/598242206.db2.gz KHNDVXPTHIUGRO-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000737410389 598264528 /nfs/dbraw/zinc/26/45/28/598264528.db2.gz SJTWAIOCIVJMBP-QGZVFWFLSA-N -1 3 392.463 3.771 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737410389 598264529 /nfs/dbraw/zinc/26/45/29/598264529.db2.gz SJTWAIOCIVJMBP-QGZVFWFLSA-N -1 3 392.463 3.771 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737064116 598266027 /nfs/dbraw/zinc/26/60/27/598266027.db2.gz UIZWLJYEIRXOFO-GOSISDBHSA-N -1 3 396.426 3.677 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737064116 598266028 /nfs/dbraw/zinc/26/60/28/598266028.db2.gz UIZWLJYEIRXOFO-GOSISDBHSA-N -1 3 396.426 3.677 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738165820 598266470 /nfs/dbraw/zinc/26/64/70/598266470.db2.gz DZZUBKIIUQZSDY-QGZVFWFLSA-N -1 3 384.390 3.808 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738165820 598266471 /nfs/dbraw/zinc/26/64/71/598266471.db2.gz DZZUBKIIUQZSDY-QGZVFWFLSA-N -1 3 384.390 3.808 20 0 GHADHM Cn1ccnc1[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000737615787 598275565 /nfs/dbraw/zinc/27/55/65/598275565.db2.gz LMFSJQOJSNYZRM-MRXNPFEDSA-N -1 3 399.380 3.821 20 0 GHADHM Cn1ccnc1[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000737615787 598275566 /nfs/dbraw/zinc/27/55/66/598275566.db2.gz LMFSJQOJSNYZRM-MRXNPFEDSA-N -1 3 399.380 3.821 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000735660726 598277295 /nfs/dbraw/zinc/27/72/95/598277295.db2.gz OEBPAFATQZLRLG-UHFFFAOYSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000735660726 598277296 /nfs/dbraw/zinc/27/72/96/598277296.db2.gz OEBPAFATQZLRLG-UHFFFAOYSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735659932 598277428 /nfs/dbraw/zinc/27/74/28/598277428.db2.gz HEFAZHJSFIOILY-VXGBXAGGSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735659932 598277429 /nfs/dbraw/zinc/27/74/29/598277429.db2.gz HEFAZHJSFIOILY-VXGBXAGGSA-N -1 3 399.421 3.666 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737410597 598277555 /nfs/dbraw/zinc/27/75/55/598277555.db2.gz VQMFBRPQCGOBTF-MRXNPFEDSA-N -1 3 384.896 3.802 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737410597 598277557 /nfs/dbraw/zinc/27/75/57/598277557.db2.gz VQMFBRPQCGOBTF-MRXNPFEDSA-N -1 3 384.896 3.802 20 0 GHADHM CCN(CCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736541511 598279770 /nfs/dbraw/zinc/27/97/70/598279770.db2.gz IPJKVVRNLCIQOT-UHFFFAOYSA-N -1 3 381.484 3.520 20 0 GHADHM CCN(CCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736541511 598279772 /nfs/dbraw/zinc/27/97/72/598279772.db2.gz IPJKVVRNLCIQOT-UHFFFAOYSA-N -1 3 381.484 3.520 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1c(F)cccc1Cl ZINC000735662144 598280437 /nfs/dbraw/zinc/28/04/37/598280437.db2.gz RAGYGKWPMPYTJF-UHFFFAOYSA-N -1 3 391.838 3.537 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1c(F)cccc1Cl ZINC000735662144 598280438 /nfs/dbraw/zinc/28/04/38/598280438.db2.gz RAGYGKWPMPYTJF-UHFFFAOYSA-N -1 3 391.838 3.537 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)OCc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000737120677 598283224 /nfs/dbraw/zinc/28/32/24/598283224.db2.gz QUSRYQIHBLJPIK-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)OCc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000737120677 598283226 /nfs/dbraw/zinc/28/32/26/598283226.db2.gz QUSRYQIHBLJPIK-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM CCc1onc(C)c1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736713588 598283320 /nfs/dbraw/zinc/28/33/20/598283320.db2.gz PBFWMURTGRCXGF-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1onc(C)c1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736713588 598283322 /nfs/dbraw/zinc/28/33/22/598283322.db2.gz PBFWMURTGRCXGF-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000736111220 598293533 /nfs/dbraw/zinc/29/35/33/598293533.db2.gz MIBSHDHTPCJVPY-CQSZACIVSA-N -1 3 394.454 3.516 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000736111220 598293534 /nfs/dbraw/zinc/29/35/34/598293534.db2.gz MIBSHDHTPCJVPY-CQSZACIVSA-N -1 3 394.454 3.516 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737115143 598296123 /nfs/dbraw/zinc/29/61/23/598296123.db2.gz KYXWZHBUOFUFGX-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737115143 598296125 /nfs/dbraw/zinc/29/61/25/598296125.db2.gz KYXWZHBUOFUFGX-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)sc2cccc(F)c12 ZINC000737203983 598310832 /nfs/dbraw/zinc/31/08/32/598310832.db2.gz XBBKRDTYZZCOJK-UHFFFAOYSA-N -1 3 385.399 3.945 20 0 GHADHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)sc2cccc(F)c12 ZINC000737203983 598310834 /nfs/dbraw/zinc/31/08/34/598310834.db2.gz XBBKRDTYZZCOJK-UHFFFAOYSA-N -1 3 385.399 3.945 20 0 GHADHM CCc1ccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000736676155 598313136 /nfs/dbraw/zinc/31/31/36/598313136.db2.gz BBBKBSHXAFSHOO-UHFFFAOYSA-N -1 3 378.461 3.913 20 0 GHADHM CCc1ccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000736676155 598313138 /nfs/dbraw/zinc/31/31/38/598313138.db2.gz BBBKBSHXAFSHOO-UHFFFAOYSA-N -1 3 378.461 3.913 20 0 GHADHM CCN(CC)C(=O)[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736525060 598314315 /nfs/dbraw/zinc/31/43/15/598314315.db2.gz YYNWVTVZIQKIDE-GOSISDBHSA-N -1 3 399.495 3.849 20 0 GHADHM CCN(CC)C(=O)[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736525060 598314316 /nfs/dbraw/zinc/31/43/16/598314316.db2.gz YYNWVTVZIQKIDE-GOSISDBHSA-N -1 3 399.495 3.849 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000737361779 598322131 /nfs/dbraw/zinc/32/21/31/598322131.db2.gz ZYWYTVVVBXTPLE-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C(F)(F)F ZINC000737361779 598322133 /nfs/dbraw/zinc/32/21/33/598322133.db2.gz ZYWYTVVVBXTPLE-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Fc1cccc([C@@H]2C[C@@H]2NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737664942 598324211 /nfs/dbraw/zinc/32/42/11/598324211.db2.gz GNCCDJJEFUFFHK-ZFWWWQNUSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc([C@@H]2C[C@@H]2NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737664942 598324213 /nfs/dbraw/zinc/32/42/13/598324213.db2.gz GNCCDJJEFUFFHK-ZFWWWQNUSA-N -1 3 388.859 3.502 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc2ccccc21 ZINC000736119963 598324991 /nfs/dbraw/zinc/32/49/91/598324991.db2.gz XHEMXWTUFIUXPK-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc2ccccc21 ZINC000736119963 598324993 /nfs/dbraw/zinc/32/49/93/598324993.db2.gz XHEMXWTUFIUXPK-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000735593022 598325405 /nfs/dbraw/zinc/32/54/05/598325405.db2.gz DUKLAGIUXAUJLS-GOSISDBHSA-N -1 3 396.470 3.983 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000735593022 598325406 /nfs/dbraw/zinc/32/54/06/598325406.db2.gz DUKLAGIUXAUJLS-GOSISDBHSA-N -1 3 396.470 3.983 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000736256517 598325613 /nfs/dbraw/zinc/32/56/13/598325613.db2.gz YTDRJRCAEKDSDV-HBUWYVDXSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000736256517 598325615 /nfs/dbraw/zinc/32/56/15/598325615.db2.gz YTDRJRCAEKDSDV-HBUWYVDXSA-N -1 3 395.463 3.593 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737359491 598325714 /nfs/dbraw/zinc/32/57/14/598325714.db2.gz HMHVELPZHCNUJD-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737359491 598325715 /nfs/dbraw/zinc/32/57/15/598325715.db2.gz HMHVELPZHCNUJD-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(NCCCC1CCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738055479 598326212 /nfs/dbraw/zinc/32/62/12/598326212.db2.gz MFGUWFZBCIFZRA-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM O=C(NCCCC1CCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738055479 598326213 /nfs/dbraw/zinc/32/62/13/598326213.db2.gz MFGUWFZBCIFZRA-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000735831160 598326750 /nfs/dbraw/zinc/32/67/50/598326750.db2.gz OURXDWKRJDBNQW-UHFFFAOYSA-N -1 3 398.536 3.919 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000735831160 598326751 /nfs/dbraw/zinc/32/67/51/598326751.db2.gz OURXDWKRJDBNQW-UHFFFAOYSA-N -1 3 398.536 3.919 20 0 GHADHM CC[C@@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736355339 598331861 /nfs/dbraw/zinc/33/18/61/598331861.db2.gz ZIBWFWUSDKRLNC-INIZCTEOSA-N -1 3 382.489 3.837 20 0 GHADHM CC[C@@H](COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736355339 598331862 /nfs/dbraw/zinc/33/18/62/598331862.db2.gz ZIBWFWUSDKRLNC-INIZCTEOSA-N -1 3 382.489 3.837 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000517986366 598357997 /nfs/dbraw/zinc/35/79/97/598357997.db2.gz FAAGWHBRHOFSAG-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000517986366 598357999 /nfs/dbraw/zinc/35/79/99/598357999.db2.gz FAAGWHBRHOFSAG-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM COc1ccsc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737160138 598359277 /nfs/dbraw/zinc/35/92/77/598359277.db2.gz TXNDXHTUTBJGTH-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1ccsc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737160138 598359278 /nfs/dbraw/zinc/35/92/78/598359278.db2.gz TXNDXHTUTBJGTH-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3Cc4ccccc4C3)c2c1 ZINC000737639705 598363646 /nfs/dbraw/zinc/36/36/46/598363646.db2.gz VVBUADLOTIXRSH-UHFFFAOYSA-N -1 3 380.358 3.537 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3Cc4ccccc4C3)c2c1 ZINC000737639705 598363648 /nfs/dbraw/zinc/36/36/48/598363648.db2.gz VVBUADLOTIXRSH-UHFFFAOYSA-N -1 3 380.358 3.537 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737121445 598389416 /nfs/dbraw/zinc/38/94/16/598389416.db2.gz YSNIFHWRRICANF-LBPRGKRZSA-N -1 3 392.419 3.813 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737121445 598389418 /nfs/dbraw/zinc/38/94/18/598389418.db2.gz YSNIFHWRRICANF-LBPRGKRZSA-N -1 3 392.419 3.813 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)Nc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737119781 598389434 /nfs/dbraw/zinc/38/94/34/598389434.db2.gz GAFLJBCSUVCBJG-GFCCVEGCSA-N -1 3 392.419 3.813 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)Nc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737119781 598389435 /nfs/dbraw/zinc/38/94/35/598389435.db2.gz GAFLJBCSUVCBJG-GFCCVEGCSA-N -1 3 392.419 3.813 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)Nc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737119782 598389869 /nfs/dbraw/zinc/38/98/69/598389869.db2.gz GAFLJBCSUVCBJG-LBPRGKRZSA-N -1 3 392.419 3.813 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)Nc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737119782 598389871 /nfs/dbraw/zinc/38/98/71/598389871.db2.gz GAFLJBCSUVCBJG-LBPRGKRZSA-N -1 3 392.419 3.813 20 0 GHADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736792350 598393529 /nfs/dbraw/zinc/39/35/29/598393529.db2.gz RCVWFESBMDMLIP-PBHICJAKSA-N -1 3 384.871 3.519 20 0 GHADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736792350 598393531 /nfs/dbraw/zinc/39/35/31/598393531.db2.gz RCVWFESBMDMLIP-PBHICJAKSA-N -1 3 384.871 3.519 20 0 GHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000737128332 598394375 /nfs/dbraw/zinc/39/43/75/598394375.db2.gz CRYHPQKUSNKHLL-GJZGRUSLSA-N -1 3 395.488 3.558 20 0 GHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000737128332 598394376 /nfs/dbraw/zinc/39/43/76/598394376.db2.gz CRYHPQKUSNKHLL-GJZGRUSLSA-N -1 3 395.488 3.558 20 0 GHADHM Cc1ccc(Oc2ccccc2CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737366181 598397103 /nfs/dbraw/zinc/39/71/03/598397103.db2.gz QLJUWWKHFDSRCM-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM Cc1ccc(Oc2ccccc2CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737366181 598397106 /nfs/dbraw/zinc/39/71/06/598397106.db2.gz QLJUWWKHFDSRCM-UHFFFAOYSA-N -1 3 399.454 3.826 20 0 GHADHM O=C(c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl)N1CCCCC1 ZINC000738267845 598404330 /nfs/dbraw/zinc/40/43/30/598404330.db2.gz PWHKBVLYKGHOAJ-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl)N1CCCCC1 ZINC000738267845 598404331 /nfs/dbraw/zinc/40/43/31/598404331.db2.gz PWHKBVLYKGHOAJ-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N(CC(F)F)C1CC1 ZINC000738274687 598404602 /nfs/dbraw/zinc/40/46/02/598404602.db2.gz VVSHVZWNHMQZSU-UHFFFAOYSA-N -1 3 385.374 3.529 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N(CC(F)F)C1CC1 ZINC000738274687 598404604 /nfs/dbraw/zinc/40/46/04/598404604.db2.gz VVSHVZWNHMQZSU-UHFFFAOYSA-N -1 3 385.374 3.529 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738111131 598421653 /nfs/dbraw/zinc/42/16/53/598421653.db2.gz INBMIHXLHUMQSE-GJZGRUSLSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738111131 598421655 /nfs/dbraw/zinc/42/16/55/598421655.db2.gz INBMIHXLHUMQSE-GJZGRUSLSA-N -1 3 388.258 3.593 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000735660206 598427918 /nfs/dbraw/zinc/42/79/18/598427918.db2.gz JMICRZPPFDEAIQ-ZDUSSCGKSA-N -1 3 397.458 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000735660206 598427920 /nfs/dbraw/zinc/42/79/20/598427920.db2.gz JMICRZPPFDEAIQ-ZDUSSCGKSA-N -1 3 397.458 3.584 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736119359 598428802 /nfs/dbraw/zinc/42/88/02/598428802.db2.gz XYSXVGPPBRGRMR-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736119359 598428804 /nfs/dbraw/zinc/42/88/04/598428804.db2.gz XYSXVGPPBRGRMR-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736110242 598433049 /nfs/dbraw/zinc/43/30/49/598433049.db2.gz GRGOOBLMPXQTOO-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736110242 598433050 /nfs/dbraw/zinc/43/30/50/598433050.db2.gz GRGOOBLMPXQTOO-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000508693942 598435458 /nfs/dbraw/zinc/43/54/58/598435458.db2.gz KDIJANQGTJUIFV-UHFFFAOYSA-N -1 3 379.464 3.818 20 0 GHADHM CC(C)COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000508693942 598435459 /nfs/dbraw/zinc/43/54/59/598435459.db2.gz KDIJANQGTJUIFV-UHFFFAOYSA-N -1 3 379.464 3.818 20 0 GHADHM CC[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1c(C)noc1C ZINC000736312014 598440994 /nfs/dbraw/zinc/44/09/94/598440994.db2.gz DNHFFCSDOKPSBP-LLVKDONJSA-N -1 3 386.481 3.544 20 0 GHADHM CC[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1c(C)noc1C ZINC000736312014 598440995 /nfs/dbraw/zinc/44/09/95/598440995.db2.gz DNHFFCSDOKPSBP-LLVKDONJSA-N -1 3 386.481 3.544 20 0 GHADHM CCS[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)C(C)C ZINC000736664019 598442484 /nfs/dbraw/zinc/44/24/84/598442484.db2.gz HIGIMTCRXPRGKF-KRWDZBQOSA-N -1 3 375.542 3.629 20 0 GHADHM CCS[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)C(C)C ZINC000736664019 598442486 /nfs/dbraw/zinc/44/24/86/598442486.db2.gz HIGIMTCRXPRGKF-KRWDZBQOSA-N -1 3 375.542 3.629 20 0 GHADHM CCOc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1C ZINC000736624742 598446980 /nfs/dbraw/zinc/44/69/80/598446980.db2.gz GSRMFCWLKGSGRK-IBGZPJMESA-N -1 3 395.463 3.616 20 0 GHADHM CCOc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1C ZINC000736624742 598446982 /nfs/dbraw/zinc/44/69/82/598446982.db2.gz GSRMFCWLKGSGRK-IBGZPJMESA-N -1 3 395.463 3.616 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737996566 598454329 /nfs/dbraw/zinc/45/43/29/598454329.db2.gz GDWCRHLWIRYEBZ-KRWDZBQOSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737996566 598454331 /nfs/dbraw/zinc/45/43/31/598454331.db2.gz GDWCRHLWIRYEBZ-KRWDZBQOSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738167004 598454797 /nfs/dbraw/zinc/45/47/97/598454797.db2.gz ZNMQJFMRKXMARD-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738167004 598454798 /nfs/dbraw/zinc/45/47/98/598454798.db2.gz ZNMQJFMRKXMARD-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826271127 607357474 /nfs/dbraw/zinc/35/74/74/607357474.db2.gz DLEQXRMQQOJGMG-UHFFFAOYSA-N -1 3 395.463 3.800 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738037225 598464122 /nfs/dbraw/zinc/46/41/22/598464122.db2.gz BITUAZCWNLBPBN-UHFFFAOYSA-N -1 3 396.882 3.547 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738037225 598464124 /nfs/dbraw/zinc/46/41/24/598464124.db2.gz BITUAZCWNLBPBN-UHFFFAOYSA-N -1 3 396.882 3.547 20 0 GHADHM O=C(Nc1nc2ccccc2s1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738211649 598468843 /nfs/dbraw/zinc/46/88/43/598468843.db2.gz PCWDPTNPXAIOAI-UHFFFAOYSA-N -1 3 391.460 3.673 20 0 GHADHM O=C(Nc1nc2ccccc2s1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738211649 598468844 /nfs/dbraw/zinc/46/88/44/598468844.db2.gz PCWDPTNPXAIOAI-UHFFFAOYSA-N -1 3 391.460 3.673 20 0 GHADHM C[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736155025 598487582 /nfs/dbraw/zinc/48/75/82/598487582.db2.gz FUVXOBFXFZOAQE-SNVBAGLBSA-N -1 3 393.230 3.857 20 0 GHADHM C[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736155025 598487584 /nfs/dbraw/zinc/48/75/84/598487584.db2.gz FUVXOBFXFZOAQE-SNVBAGLBSA-N -1 3 393.230 3.857 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826475944 607358493 /nfs/dbraw/zinc/35/84/93/607358493.db2.gz WUGYVYBIKSRSMD-MRXNPFEDSA-N -1 3 381.505 3.803 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826475944 607358495 /nfs/dbraw/zinc/35/84/95/607358495.db2.gz WUGYVYBIKSRSMD-MRXNPFEDSA-N -1 3 381.505 3.803 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000517814059 598495192 /nfs/dbraw/zinc/49/51/92/598495192.db2.gz INGFYMPAYGGNBK-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000517814059 598495193 /nfs/dbraw/zinc/49/51/93/598495193.db2.gz INGFYMPAYGGNBK-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000736691895 598497896 /nfs/dbraw/zinc/49/78/96/598497896.db2.gz ZGRMUZWRFGEXCB-CQSZACIVSA-N -1 3 379.464 3.959 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000736691895 598497898 /nfs/dbraw/zinc/49/78/98/598497898.db2.gz ZGRMUZWRFGEXCB-CQSZACIVSA-N -1 3 379.464 3.959 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737473210 598498799 /nfs/dbraw/zinc/49/87/99/598498799.db2.gz AKSORGOXEUQCFW-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737473210 598498800 /nfs/dbraw/zinc/49/88/00/598498800.db2.gz AKSORGOXEUQCFW-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC1 ZINC000737196483 598515445 /nfs/dbraw/zinc/51/54/45/598515445.db2.gz LLRYIDRMAPPFMA-CTYIDZIISA-N -1 3 393.451 3.754 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC1 ZINC000737196483 598515446 /nfs/dbraw/zinc/51/54/46/598515446.db2.gz LLRYIDRMAPPFMA-CTYIDZIISA-N -1 3 393.451 3.754 20 0 GHADHM CCc1c(C)sc(NC(=O)c2nc(C(C)C)ncc2Cl)c1-c1nnn[n-]1 ZINC000736679430 598516215 /nfs/dbraw/zinc/51/62/15/598516215.db2.gz TUNWAGTXOFXGCW-UHFFFAOYSA-N -1 3 391.888 3.618 20 0 GHADHM CCc1c(C)sc(NC(=O)c2nc(C(C)C)ncc2Cl)c1-c1nn[n-]n1 ZINC000736679430 598516216 /nfs/dbraw/zinc/51/62/16/598516216.db2.gz TUNWAGTXOFXGCW-UHFFFAOYSA-N -1 3 391.888 3.618 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737452344 598517723 /nfs/dbraw/zinc/51/77/23/598517723.db2.gz GBUCORBCZNNPBS-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737452344 598517725 /nfs/dbraw/zinc/51/77/25/598517725.db2.gz GBUCORBCZNNPBS-UHFFFAOYSA-N -1 3 390.407 3.643 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2coc3cc(OC)ccc23)c1-c1nnn[n-]1 ZINC000736677033 598519241 /nfs/dbraw/zinc/51/92/41/598519241.db2.gz YOKRKNCKZWHFPG-UHFFFAOYSA-N -1 3 397.460 3.735 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2coc3cc(OC)ccc23)c1-c1nn[n-]n1 ZINC000736677033 598519242 /nfs/dbraw/zinc/51/92/42/598519242.db2.gz YOKRKNCKZWHFPG-UHFFFAOYSA-N -1 3 397.460 3.735 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737149716 598534770 /nfs/dbraw/zinc/53/47/70/598534770.db2.gz ZKEPNUQUNQJWKC-KRWDZBQOSA-N -1 3 378.436 3.553 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737149716 598534772 /nfs/dbraw/zinc/53/47/72/598534772.db2.gz ZKEPNUQUNQJWKC-KRWDZBQOSA-N -1 3 378.436 3.553 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182767 598535209 /nfs/dbraw/zinc/53/52/09/598535209.db2.gz SZQHRVYFLJGSHL-CYBMUJFWSA-N -1 3 382.493 3.655 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182767 598535211 /nfs/dbraw/zinc/53/52/11/598535211.db2.gz SZQHRVYFLJGSHL-CYBMUJFWSA-N -1 3 382.493 3.655 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736267220 598538636 /nfs/dbraw/zinc/53/86/36/598538636.db2.gz BDFUVKNIQLSASX-RDTXWAMCSA-N -1 3 395.463 3.689 20 0 GHADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N(C1CC1)C1CCCC1 ZINC000738258956 598539690 /nfs/dbraw/zinc/53/96/90/598539690.db2.gz SUCYAEABZDFDKN-UHFFFAOYSA-N -1 3 393.447 3.586 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737280233 598542418 /nfs/dbraw/zinc/54/24/18/598542418.db2.gz OPGVZQANEVKYKQ-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737280233 598542419 /nfs/dbraw/zinc/54/24/19/598542419.db2.gz OPGVZQANEVKYKQ-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738289258 598550636 /nfs/dbraw/zinc/55/06/36/598550636.db2.gz HRANCIUHVVYQBE-ZDUSSCGKSA-N -1 3 393.394 3.924 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738289258 598550637 /nfs/dbraw/zinc/55/06/37/598550637.db2.gz HRANCIUHVVYQBE-ZDUSSCGKSA-N -1 3 393.394 3.924 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738265658 598550661 /nfs/dbraw/zinc/55/06/61/598550661.db2.gz AKVYURZYFIHNLK-INIZCTEOSA-N -1 3 387.365 3.863 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000738265658 598550662 /nfs/dbraw/zinc/55/06/62/598550662.db2.gz AKVYURZYFIHNLK-INIZCTEOSA-N -1 3 387.365 3.863 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc2c(c1)CCO2 ZINC000738173317 598555926 /nfs/dbraw/zinc/55/59/26/598555926.db2.gz OBROLXDTXIMADD-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc2c(c1)CCO2 ZINC000738173317 598555928 /nfs/dbraw/zinc/55/59/28/598555928.db2.gz OBROLXDTXIMADD-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736422943 598560171 /nfs/dbraw/zinc/56/01/71/598560171.db2.gz LCRSNEHRBJPCFO-HUUCEWRRSA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736422943 598560172 /nfs/dbraw/zinc/56/01/72/598560172.db2.gz LCRSNEHRBJPCFO-HUUCEWRRSA-N -1 3 394.479 3.764 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736274843 598560621 /nfs/dbraw/zinc/56/06/21/598560621.db2.gz VJGUWHPLKNSKJL-GWCFXTLKSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736274843 598560622 /nfs/dbraw/zinc/56/06/22/598560622.db2.gz VJGUWHPLKNSKJL-GWCFXTLKSA-N -1 3 380.399 3.511 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737419149 598560813 /nfs/dbraw/zinc/56/08/13/598560813.db2.gz CVUMUGLBKGZSGN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737419149 598560815 /nfs/dbraw/zinc/56/08/15/598560815.db2.gz CVUMUGLBKGZSGN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817878 598568023 /nfs/dbraw/zinc/56/80/23/598568023.db2.gz GHDYOBRULQMOJQ-IRXDYDNUSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817878 598568025 /nfs/dbraw/zinc/56/80/25/598568025.db2.gz GHDYOBRULQMOJQ-IRXDYDNUSA-N -1 3 397.429 3.938 20 0 GHADHM O=C(Oc1ccc2ccccc2c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738247547 598571171 /nfs/dbraw/zinc/57/11/71/598571171.db2.gz RJICWWQAGMRJAD-HXUWFJFHSA-N -1 3 385.427 3.594 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737795566 598572345 /nfs/dbraw/zinc/57/23/45/598572345.db2.gz APKSLKSOHZOVOT-OUKQBFOZSA-N -1 3 375.432 3.840 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000737795566 598572347 /nfs/dbraw/zinc/57/23/47/598572347.db2.gz APKSLKSOHZOVOT-OUKQBFOZSA-N -1 3 375.432 3.840 20 0 GHADHM COc1ccc(OC)c(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737110139 598576111 /nfs/dbraw/zinc/57/61/11/598576111.db2.gz SQUDGWYEFPWMCT-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM COc1ccc(OC)c(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737110139 598576112 /nfs/dbraw/zinc/57/61/12/598576112.db2.gz SQUDGWYEFPWMCT-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000735922880 598588845 /nfs/dbraw/zinc/58/88/45/598588845.db2.gz NVSUVXYKFGIJDC-UHFFFAOYSA-N -1 3 376.395 3.930 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000735922880 598588846 /nfs/dbraw/zinc/58/88/46/598588846.db2.gz NVSUVXYKFGIJDC-UHFFFAOYSA-N -1 3 376.395 3.930 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)/C=C\C(C)(C)C ZINC000737278713 598627549 /nfs/dbraw/zinc/62/75/49/598627549.db2.gz DAVGTDQDXSNIKG-KTKRTIGZSA-N -1 3 378.436 3.903 20 0 GHADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000737264616 598628321 /nfs/dbraw/zinc/62/83/21/598628321.db2.gz OMEXNXYPRJDCJB-UHFFFAOYSA-N -1 3 393.426 3.734 20 0 GHADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000737264616 598628324 /nfs/dbraw/zinc/62/83/24/598628324.db2.gz OMEXNXYPRJDCJB-UHFFFAOYSA-N -1 3 393.426 3.734 20 0 GHADHM COc1ccc([C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000737073923 598632389 /nfs/dbraw/zinc/63/23/89/598632389.db2.gz GEYJLWIFKIZZTN-KRWDZBQOSA-N -1 3 384.415 3.533 20 0 GHADHM COc1ccc([C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000737073923 598632390 /nfs/dbraw/zinc/63/23/90/598632390.db2.gz GEYJLWIFKIZZTN-KRWDZBQOSA-N -1 3 384.415 3.533 20 0 GHADHM CCc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000736697435 598645249 /nfs/dbraw/zinc/64/52/49/598645249.db2.gz FBROTAQHNGOQIM-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000736697435 598645250 /nfs/dbraw/zinc/64/52/50/598645250.db2.gz FBROTAQHNGOQIM-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM COc1ccccc1OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737151526 598646036 /nfs/dbraw/zinc/64/60/36/598646036.db2.gz FUAXJLYNPIOMFB-UHFFFAOYSA-N -1 3 388.383 3.887 20 0 GHADHM COc1ccccc1OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737151526 598646038 /nfs/dbraw/zinc/64/60/38/598646038.db2.gz FUAXJLYNPIOMFB-UHFFFAOYSA-N -1 3 388.383 3.887 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000736739508 598648297 /nfs/dbraw/zinc/64/82/97/598648297.db2.gz ORAWOBGPIBBWPM-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000736739508 598648299 /nfs/dbraw/zinc/64/82/99/598648299.db2.gz ORAWOBGPIBBWPM-UHFFFAOYSA-N -1 3 375.457 3.775 20 0 GHADHM CCN(CCc1cccs1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736542069 598651485 /nfs/dbraw/zinc/65/14/85/598651485.db2.gz NYGUSUQLFAZSFA-UHFFFAOYSA-N -1 3 399.520 3.569 20 0 GHADHM CCN(CCc1cccs1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736542069 598651487 /nfs/dbraw/zinc/65/14/87/598651487.db2.gz NYGUSUQLFAZSFA-UHFFFAOYSA-N -1 3 399.520 3.569 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000737319598 598652417 /nfs/dbraw/zinc/65/24/17/598652417.db2.gz FRZJWBQWQQFQFH-HNNXBMFYSA-N -1 3 381.505 3.795 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000737319598 598652418 /nfs/dbraw/zinc/65/24/18/598652418.db2.gz FRZJWBQWQQFQFH-HNNXBMFYSA-N -1 3 381.505 3.795 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000737940705 598652588 /nfs/dbraw/zinc/65/25/88/598652588.db2.gz HXNDLGLZJFBCBV-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000737940705 598652590 /nfs/dbraw/zinc/65/25/90/598652590.db2.gz HXNDLGLZJFBCBV-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736066154 598653173 /nfs/dbraw/zinc/65/31/73/598653173.db2.gz KWIKGWVXQAUHPK-AWEZNQCLSA-N -1 3 389.415 3.613 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736066154 598653175 /nfs/dbraw/zinc/65/31/75/598653175.db2.gz KWIKGWVXQAUHPK-AWEZNQCLSA-N -1 3 389.415 3.613 20 0 GHADHM CC(C)COc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735844950 598654671 /nfs/dbraw/zinc/65/46/71/598654671.db2.gz RFMNENWOZBGMGR-UHFFFAOYSA-N -1 3 383.477 3.632 20 0 GHADHM CC(C)COc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735844950 598654673 /nfs/dbraw/zinc/65/46/73/598654673.db2.gz RFMNENWOZBGMGR-UHFFFAOYSA-N -1 3 383.477 3.632 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)cc1 ZINC000737570058 598655316 /nfs/dbraw/zinc/65/53/16/598655316.db2.gz ABWIXMSERSTANJ-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)cc1 ZINC000737570058 598655317 /nfs/dbraw/zinc/65/53/17/598655317.db2.gz ABWIXMSERSTANJ-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Cc1cc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737275450 598660294 /nfs/dbraw/zinc/66/02/94/598660294.db2.gz VOTOSSQKODCIBG-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737275450 598660296 /nfs/dbraw/zinc/66/02/96/598660296.db2.gz VOTOSSQKODCIBG-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1SCc1cccs1 ZINC000738150400 598663528 /nfs/dbraw/zinc/66/35/28/598663528.db2.gz KRHJRTBNLKLBFP-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1SCc1cccs1 ZINC000738150400 598663530 /nfs/dbraw/zinc/66/35/30/598663530.db2.gz KRHJRTBNLKLBFP-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000738192614 598673170 /nfs/dbraw/zinc/67/31/70/598673170.db2.gz SSTCFBABWHJKRY-UHFFFAOYSA-N -1 3 386.419 3.518 20 0 GHADHM O=C(Nc1ccccc1)Nc1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000738192614 598673172 /nfs/dbraw/zinc/67/31/72/598673172.db2.gz SSTCFBABWHJKRY-UHFFFAOYSA-N -1 3 386.419 3.518 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000737453263 598690442 /nfs/dbraw/zinc/69/04/42/598690442.db2.gz TWSQXVLBNVOGSJ-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1csc(Nc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737453263 598690444 /nfs/dbraw/zinc/69/04/44/598690444.db2.gz TWSQXVLBNVOGSJ-UHFFFAOYSA-N -1 3 391.460 3.556 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737355960 598696643 /nfs/dbraw/zinc/69/66/43/598696643.db2.gz NGYANXVLTUPKNI-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737355960 598696645 /nfs/dbraw/zinc/69/66/45/598696645.db2.gz NGYANXVLTUPKNI-CYBMUJFWSA-N -1 3 385.468 3.883 20 0 GHADHM O=C(Nc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCCCC1 ZINC000738173339 598701372 /nfs/dbraw/zinc/70/13/72/598701372.db2.gz OMHIDYBBFQWDPH-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(Nc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCCCC1 ZINC000738173339 598701374 /nfs/dbraw/zinc/70/13/74/598701374.db2.gz OMHIDYBBFQWDPH-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1NCc1ccco1 ZINC000738234959 598702133 /nfs/dbraw/zinc/70/21/33/598702133.db2.gz IWJZGXJHLFUBSL-UHFFFAOYSA-N -1 3 393.378 3.568 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1NCc1ccco1 ZINC000738234959 598702134 /nfs/dbraw/zinc/70/21/34/598702134.db2.gz IWJZGXJHLFUBSL-UHFFFAOYSA-N -1 3 393.378 3.568 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000736481151 598717388 /nfs/dbraw/zinc/71/73/88/598717388.db2.gz UWQLIUCZBIZLNC-CYBMUJFWSA-N -1 3 399.524 3.568 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000736481151 598717389 /nfs/dbraw/zinc/71/73/89/598717389.db2.gz UWQLIUCZBIZLNC-CYBMUJFWSA-N -1 3 399.524 3.568 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(F)c(C)c1 ZINC000736627705 598734447 /nfs/dbraw/zinc/73/44/47/598734447.db2.gz LVUBPYOKOGRQSX-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(F)c(C)c1 ZINC000736627705 598734448 /nfs/dbraw/zinc/73/44/48/598734448.db2.gz LVUBPYOKOGRQSX-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CC(C)Oc1cccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735913259 598739302 /nfs/dbraw/zinc/73/93/02/598739302.db2.gz LXJPNYGPZZWSKC-UHFFFAOYSA-N -1 3 396.447 3.809 20 0 GHADHM CC(C)Oc1cccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735913259 598739305 /nfs/dbraw/zinc/73/93/05/598739305.db2.gz LXJPNYGPZZWSKC-UHFFFAOYSA-N -1 3 396.447 3.809 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737822472 598742511 /nfs/dbraw/zinc/74/25/11/598742511.db2.gz YYEPEGMRWDWKCK-GFCCVEGCSA-N -1 3 379.489 3.551 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737822472 598742513 /nfs/dbraw/zinc/74/25/13/598742513.db2.gz YYEPEGMRWDWKCK-GFCCVEGCSA-N -1 3 379.489 3.551 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2ccc(Br)cc2)n1 ZINC000737470267 598762647 /nfs/dbraw/zinc/76/26/47/598762647.db2.gz GQTCKMIPLCDCSM-VIFPVBQESA-N -1 3 391.298 3.889 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736350568 598764325 /nfs/dbraw/zinc/76/43/25/598764325.db2.gz BOUVAKZVNBUXTD-CYBMUJFWSA-N -1 3 387.390 3.676 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736350568 598764326 /nfs/dbraw/zinc/76/43/26/598764326.db2.gz BOUVAKZVNBUXTD-CYBMUJFWSA-N -1 3 387.390 3.676 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736271427 598769871 /nfs/dbraw/zinc/76/98/71/598769871.db2.gz NKPCSCJCKXUKJS-BZNIZROVSA-N -1 3 388.422 3.700 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736271427 598769873 /nfs/dbraw/zinc/76/98/73/598769873.db2.gz NKPCSCJCKXUKJS-BZNIZROVSA-N -1 3 388.422 3.700 20 0 GHADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccc2c(c1)OCO2 ZINC000736137319 598770274 /nfs/dbraw/zinc/77/02/74/598770274.db2.gz JQARMCVMXMQBJX-VIFPVBQESA-N -1 3 396.357 3.595 20 0 GHADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccc2c(c1)OCO2 ZINC000736137319 598770275 /nfs/dbraw/zinc/77/02/75/598770275.db2.gz JQARMCVMXMQBJX-VIFPVBQESA-N -1 3 396.357 3.595 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000736262025 598789480 /nfs/dbraw/zinc/78/94/80/598789480.db2.gz LZNRHSRAWCANAX-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000736262025 598789482 /nfs/dbraw/zinc/78/94/82/598789482.db2.gz LZNRHSRAWCANAX-QWHCGFSZSA-N -1 3 389.525 3.731 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1CCc2ccccc21 ZINC000738210407 598791181 /nfs/dbraw/zinc/79/11/81/598791181.db2.gz PGGITHWAAIMVDA-AWEZNQCLSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1CCc2ccccc21 ZINC000738210407 598791182 /nfs/dbraw/zinc/79/11/82/598791182.db2.gz PGGITHWAAIMVDA-AWEZNQCLSA-N -1 3 379.489 3.866 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000736504567 598792820 /nfs/dbraw/zinc/79/28/20/598792820.db2.gz BSCHFBOXHGLBGP-NRFANRHFSA-N -1 3 398.470 3.822 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000736504567 598792822 /nfs/dbraw/zinc/79/28/22/598792822.db2.gz BSCHFBOXHGLBGP-NRFANRHFSA-N -1 3 398.470 3.822 20 0 GHADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000736508797 598793400 /nfs/dbraw/zinc/79/34/00/598793400.db2.gz NIACCVWBHRMROJ-NRFANRHFSA-N -1 3 398.470 3.822 20 0 GHADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000736508797 598793402 /nfs/dbraw/zinc/79/34/02/598793402.db2.gz NIACCVWBHRMROJ-NRFANRHFSA-N -1 3 398.470 3.822 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736209592 598794037 /nfs/dbraw/zinc/79/40/37/598794037.db2.gz ARLGGRCJZFVPMT-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736209592 598794038 /nfs/dbraw/zinc/79/40/38/598794038.db2.gz ARLGGRCJZFVPMT-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820081839 599296717 /nfs/dbraw/zinc/29/67/17/599296717.db2.gz XVUKTRSYFQQSRW-UHFFFAOYSA-N -1 3 384.415 3.918 20 0 GHADHM CC(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820081839 599296718 /nfs/dbraw/zinc/29/67/18/599296718.db2.gz XVUKTRSYFQQSRW-UHFFFAOYSA-N -1 3 384.415 3.918 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(c1ccccc1F)C1CCCC1 ZINC000736178656 599302785 /nfs/dbraw/zinc/30/27/85/599302785.db2.gz BKRMQTFCYFTSCO-AWEZNQCLSA-N -1 3 395.438 3.749 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(c1ccccc1F)C1CCCC1 ZINC000736178656 599302787 /nfs/dbraw/zinc/30/27/87/599302787.db2.gz BKRMQTFCYFTSCO-AWEZNQCLSA-N -1 3 395.438 3.749 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741417 599305136 /nfs/dbraw/zinc/30/51/36/599305136.db2.gz OMKRMECLMJLITP-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741417 599305138 /nfs/dbraw/zinc/30/51/38/599305138.db2.gz OMKRMECLMJLITP-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2CCCS2)cc1 ZINC000821702552 599320280 /nfs/dbraw/zinc/32/02/80/599320280.db2.gz XFMDPQUHILYEAM-QGZVFWFLSA-N -1 3 397.460 3.502 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2CCCS2)cc1 ZINC000821702552 599320283 /nfs/dbraw/zinc/32/02/83/599320283.db2.gz XFMDPQUHILYEAM-QGZVFWFLSA-N -1 3 397.460 3.502 20 0 GHADHM C[C@H](SCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188890 599325799 /nfs/dbraw/zinc/32/57/99/599325799.db2.gz MKDIOELNLIZOSM-AWEZNQCLSA-N -1 3 388.518 3.525 20 0 GHADHM C[C@H](SCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188890 599325801 /nfs/dbraw/zinc/32/58/01/599325801.db2.gz MKDIOELNLIZOSM-AWEZNQCLSA-N -1 3 388.518 3.525 20 0 GHADHM CCOc1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736647216 599328628 /nfs/dbraw/zinc/32/86/28/599328628.db2.gz MUEFZTNHVIWLDJ-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM CCOc1ccc(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736647216 599328631 /nfs/dbraw/zinc/32/86/31/599328631.db2.gz MUEFZTNHVIWLDJ-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737140828 599329593 /nfs/dbraw/zinc/32/95/93/599329593.db2.gz GBGMGIAICGKGAX-KGLIPLIRSA-N -1 3 397.504 3.547 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737140828 599329595 /nfs/dbraw/zinc/32/95/95/599329595.db2.gz GBGMGIAICGKGAX-KGLIPLIRSA-N -1 3 397.504 3.547 20 0 GHADHM Cc1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000737399724 599330176 /nfs/dbraw/zinc/33/01/76/599330176.db2.gz OTOWXHCSZUEGAD-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000737399724 599330179 /nfs/dbraw/zinc/33/01/79/599330179.db2.gz OTOWXHCSZUEGAD-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735903047 599336598 /nfs/dbraw/zinc/33/65/98/599336598.db2.gz CXJNWEJMIMCSSO-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735903047 599336601 /nfs/dbraw/zinc/33/66/01/599336601.db2.gz CXJNWEJMIMCSSO-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM COC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000736980632 599350225 /nfs/dbraw/zinc/35/02/25/599350225.db2.gz XDSVZNVWOJVANH-CYBMUJFWSA-N -1 3 398.776 3.734 20 0 GHADHM COC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000736980632 599350228 /nfs/dbraw/zinc/35/02/28/599350228.db2.gz XDSVZNVWOJVANH-CYBMUJFWSA-N -1 3 398.776 3.734 20 0 GHADHM Cc1sc(NC(=O)COc2cccc(Cl)c2C)c(-c2nnn[n-]2)c1C ZINC000737564950 599370481 /nfs/dbraw/zinc/37/04/81/599370481.db2.gz URKNPHCAGAUPGU-UHFFFAOYSA-N -1 3 377.857 3.524 20 0 GHADHM Cc1sc(NC(=O)COc2cccc(Cl)c2C)c(-c2nn[n-]n2)c1C ZINC000737564950 599370482 /nfs/dbraw/zinc/37/04/82/599370482.db2.gz URKNPHCAGAUPGU-UHFFFAOYSA-N -1 3 377.857 3.524 20 0 GHADHM CCC[C@@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)OCC ZINC000821020507 599376373 /nfs/dbraw/zinc/37/63/73/599376373.db2.gz CHDZQJMNHZUINE-GOSISDBHSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OCC ZINC000821020507 599376376 /nfs/dbraw/zinc/37/63/76/599376376.db2.gz CHDZQJMNHZUINE-GOSISDBHSA-N -1 3 381.436 3.803 20 0 GHADHM CCSCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000821461141 599380557 /nfs/dbraw/zinc/38/05/57/599380557.db2.gz KHGKAKSEGSLASR-ZDUSSCGKSA-N -1 3 382.493 3.559 20 0 GHADHM CCSCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000821461141 599380560 /nfs/dbraw/zinc/38/05/60/599380560.db2.gz KHGKAKSEGSLASR-ZDUSSCGKSA-N -1 3 382.493 3.559 20 0 GHADHM CC(C)(O)CNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000819992066 599383780 /nfs/dbraw/zinc/38/37/80/599383780.db2.gz PQUUKRSSTZQEOU-UHFFFAOYSA-N -1 3 393.369 3.861 20 0 GHADHM CC(C)(O)CNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000819992066 599383783 /nfs/dbraw/zinc/38/37/83/599383783.db2.gz PQUUKRSSTZQEOU-UHFFFAOYSA-N -1 3 393.369 3.861 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412584 599386384 /nfs/dbraw/zinc/38/63/84/599386384.db2.gz MCFHYSOQVMKZTL-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412584 599386385 /nfs/dbraw/zinc/38/63/85/599386385.db2.gz MCFHYSOQVMKZTL-NWDGAFQWSA-N -1 3 395.854 3.982 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415006 607372343 /nfs/dbraw/zinc/37/23/43/607372343.db2.gz ONMTXRKMMKCGSF-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415006 607372345 /nfs/dbraw/zinc/37/23/45/607372345.db2.gz ONMTXRKMMKCGSF-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM CCCCOc1cccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821077374 599409112 /nfs/dbraw/zinc/40/91/12/599409112.db2.gz CSCTXRCXGRGZEE-HNNXBMFYSA-N -1 3 394.479 3.606 20 0 GHADHM CCCCOc1cccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821077374 599409114 /nfs/dbraw/zinc/40/91/14/599409114.db2.gz CSCTXRCXGRGZEE-HNNXBMFYSA-N -1 3 394.479 3.606 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822029127 599426108 /nfs/dbraw/zinc/42/61/08/599426108.db2.gz WBUDXTBWVUELNX-GFCCVEGCSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822029127 599426110 /nfs/dbraw/zinc/42/61/10/599426110.db2.gz WBUDXTBWVUELNX-GFCCVEGCSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822345937 599430946 /nfs/dbraw/zinc/43/09/46/599430946.db2.gz WYBYUUXUAXCHFA-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822345937 599430950 /nfs/dbraw/zinc/43/09/50/599430950.db2.gz WYBYUUXUAXCHFA-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913853 599443407 /nfs/dbraw/zinc/44/34/07/599443407.db2.gz KWNGIFLUEJDBLB-UGSOOPFHSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913853 599443410 /nfs/dbraw/zinc/44/34/10/599443410.db2.gz KWNGIFLUEJDBLB-UGSOOPFHSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736236676 599463350 /nfs/dbraw/zinc/46/33/50/599463350.db2.gz STFJOAPIGCWNAA-OCCSQVGLSA-N -1 3 382.468 3.581 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736236676 599463352 /nfs/dbraw/zinc/46/33/52/599463352.db2.gz STFJOAPIGCWNAA-OCCSQVGLSA-N -1 3 382.468 3.581 20 0 GHADHM CCc1c(Cl)nc(C)nc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000821466284 599464638 /nfs/dbraw/zinc/46/46/38/599464638.db2.gz VLKDIOWEMGMJBC-UHFFFAOYSA-N -1 3 389.916 3.526 20 0 GHADHM CCc1c(Cl)nc(C)nc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000821466284 599464640 /nfs/dbraw/zinc/46/46/40/599464640.db2.gz VLKDIOWEMGMJBC-UHFFFAOYSA-N -1 3 389.916 3.526 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822486178 599465438 /nfs/dbraw/zinc/46/54/38/599465438.db2.gz AGMNLPHSRONZEX-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822486178 599465440 /nfs/dbraw/zinc/46/54/40/599465440.db2.gz AGMNLPHSRONZEX-UHFFFAOYSA-N -1 3 379.855 3.935 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341269 599473306 /nfs/dbraw/zinc/47/33/06/599473306.db2.gz PEZOHTDWPRRSLH-VXGBXAGGSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341269 599473309 /nfs/dbraw/zinc/47/33/09/599473309.db2.gz PEZOHTDWPRRSLH-VXGBXAGGSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342891 599476045 /nfs/dbraw/zinc/47/60/45/599476045.db2.gz XWUNMZUOPDEDEU-CQSZACIVSA-N -1 3 392.438 3.566 20 0 GHADHM C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342891 599476048 /nfs/dbraw/zinc/47/60/48/599476048.db2.gz XWUNMZUOPDEDEU-CQSZACIVSA-N -1 3 392.438 3.566 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822229551 599482212 /nfs/dbraw/zinc/48/22/12/599482212.db2.gz WVLWYSMZWFRNLK-HZPDHXFCSA-N -1 3 378.480 3.947 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822229551 599482213 /nfs/dbraw/zinc/48/22/13/599482213.db2.gz WVLWYSMZWFRNLK-HZPDHXFCSA-N -1 3 378.480 3.947 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821504781 599484269 /nfs/dbraw/zinc/48/42/69/599484269.db2.gz KLDADROEXLWUCU-DGCLKSJQSA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821504781 599484272 /nfs/dbraw/zinc/48/42/72/599484272.db2.gz KLDADROEXLWUCU-DGCLKSJQSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1ccc(N2CCCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)CC2)cc1 ZINC000822242668 599488206 /nfs/dbraw/zinc/48/82/06/599488206.db2.gz SZPHJTZVMPIPGC-UHFFFAOYSA-N -1 3 399.502 3.748 20 0 GHADHM Cc1ccc(N2CCCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)CC2)cc1 ZINC000822242668 599488209 /nfs/dbraw/zinc/48/82/09/599488209.db2.gz SZPHJTZVMPIPGC-UHFFFAOYSA-N -1 3 399.502 3.748 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823488451 599491517 /nfs/dbraw/zinc/49/15/17/599491517.db2.gz MYVABSMDLGSOTG-UHFFFAOYSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823488451 599491520 /nfs/dbraw/zinc/49/15/20/599491520.db2.gz MYVABSMDLGSOTG-UHFFFAOYSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000822213797 599501157 /nfs/dbraw/zinc/50/11/57/599501157.db2.gz AVEKCBWSPMPAES-NSHDSACASA-N -1 3 394.460 3.691 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000822213797 599501160 /nfs/dbraw/zinc/50/11/60/599501160.db2.gz AVEKCBWSPMPAES-NSHDSACASA-N -1 3 394.460 3.691 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328683 599504114 /nfs/dbraw/zinc/50/41/14/599504114.db2.gz QTKVXZHUADJGNE-HNNXBMFYSA-N -1 3 377.492 3.974 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328683 599504117 /nfs/dbraw/zinc/50/41/17/599504117.db2.gz QTKVXZHUADJGNE-HNNXBMFYSA-N -1 3 377.492 3.974 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000823689712 599507483 /nfs/dbraw/zinc/50/74/83/599507483.db2.gz ISETXAMJFLRMBD-CYBMUJFWSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000823689712 599507485 /nfs/dbraw/zinc/50/74/85/599507485.db2.gz ISETXAMJFLRMBD-CYBMUJFWSA-N -1 3 399.760 3.564 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418839 599510544 /nfs/dbraw/zinc/51/05/44/599510544.db2.gz GRBARFBMMMRSDI-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418839 599510545 /nfs/dbraw/zinc/51/05/45/599510545.db2.gz GRBARFBMMMRSDI-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329367 599511339 /nfs/dbraw/zinc/51/13/39/599511339.db2.gz WJLLGFCBUGYTAS-LLVKDONJSA-N -1 3 390.274 3.984 20 0 GHADHM C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329367 599511342 /nfs/dbraw/zinc/51/13/42/599511342.db2.gz WJLLGFCBUGYTAS-LLVKDONJSA-N -1 3 390.274 3.984 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391941 599514521 /nfs/dbraw/zinc/51/45/21/599514521.db2.gz SAMJZDBNNLJERR-ZDUSSCGKSA-N -1 3 390.422 3.502 20 0 GHADHM C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391941 599514522 /nfs/dbraw/zinc/51/45/22/599514522.db2.gz SAMJZDBNNLJERR-ZDUSSCGKSA-N -1 3 390.422 3.502 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccn(-c2ccccc2)n1 ZINC000737628039 599521137 /nfs/dbraw/zinc/52/11/37/599521137.db2.gz USTBQDXUTHUQRL-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321461 599524917 /nfs/dbraw/zinc/52/49/17/599524917.db2.gz GQSMTQWZYZTYRS-CQSZACIVSA-N -1 3 379.439 3.695 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321461 599524920 /nfs/dbraw/zinc/52/49/20/599524920.db2.gz GQSMTQWZYZTYRS-CQSZACIVSA-N -1 3 379.439 3.695 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822409099 599527842 /nfs/dbraw/zinc/52/78/42/599527842.db2.gz LZSNZOKEWDTDIK-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822409099 599527844 /nfs/dbraw/zinc/52/78/44/599527844.db2.gz LZSNZOKEWDTDIK-CYBMUJFWSA-N -1 3 390.472 3.790 20 0 GHADHM CC(C)CN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827553 599540983 /nfs/dbraw/zinc/54/09/83/599540983.db2.gz QJILYSSNKURRDQ-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)CN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827553 599540986 /nfs/dbraw/zinc/54/09/86/599540986.db2.gz QJILYSSNKURRDQ-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)c1ccsc1 ZINC000735514507 599541109 /nfs/dbraw/zinc/54/11/09/599541109.db2.gz UKBKIQNGGPLLNA-NSHDSACASA-N -1 3 395.410 3.623 20 0 GHADHM C[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)c1ccsc1 ZINC000735514507 599541112 /nfs/dbraw/zinc/54/11/12/599541112.db2.gz UKBKIQNGGPLLNA-NSHDSACASA-N -1 3 395.410 3.623 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404426 599542662 /nfs/dbraw/zinc/54/26/62/599542662.db2.gz UZDPFIKAPKJSSC-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@@H](NC(=O)c1occc1COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404426 599542665 /nfs/dbraw/zinc/54/26/65/599542665.db2.gz UZDPFIKAPKJSSC-CQSZACIVSA-N -1 3 389.415 3.530 20 0 GHADHM O=C(NCCc1cccs1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738088398 599563637 /nfs/dbraw/zinc/56/36/37/599563637.db2.gz NRUSOVIIHGQLGC-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1csc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737451391 599565526 /nfs/dbraw/zinc/56/55/26/599565526.db2.gz CFKARZCTAJOTLW-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736201825 599567390 /nfs/dbraw/zinc/56/73/90/599567390.db2.gz ILGQCHVXAIMGTA-HNNXBMFYSA-N -1 3 399.458 3.839 20 0 GHADHM C[C@H]1SCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736302063 599568886 /nfs/dbraw/zinc/56/88/86/599568886.db2.gz PSKLECOJFMZNKL-UONOGXRCSA-N -1 3 394.504 3.576 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N(CC1CC1)CC1CC1 ZINC000738274217 599570844 /nfs/dbraw/zinc/57/08/44/599570844.db2.gz QEJYAJISLAXCIX-UHFFFAOYSA-N -1 3 388.475 3.873 20 0 GHADHM CC(C)(C)c1noc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000819972030 599575420 /nfs/dbraw/zinc/57/54/20/599575420.db2.gz XRXLMQBJHRIHKM-UHFFFAOYSA-N -1 3 392.419 3.919 20 0 GHADHM CC(C)(C)c1noc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000819972030 599575421 /nfs/dbraw/zinc/57/54/21/599575421.db2.gz XRXLMQBJHRIHKM-UHFFFAOYSA-N -1 3 392.419 3.919 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)o1 ZINC000822233420 599580019 /nfs/dbraw/zinc/58/00/19/599580019.db2.gz OLZJXDFHHDMAPP-LBPRGKRZSA-N -1 3 378.358 3.914 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)o1 ZINC000822233420 599580021 /nfs/dbraw/zinc/58/00/21/599580021.db2.gz OLZJXDFHHDMAPP-LBPRGKRZSA-N -1 3 378.358 3.914 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736364025 599601321 /nfs/dbraw/zinc/60/13/21/599601321.db2.gz PXVILMBPPHFVIU-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736364025 599601323 /nfs/dbraw/zinc/60/13/23/599601323.db2.gz PXVILMBPPHFVIU-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737056965 599610266 /nfs/dbraw/zinc/61/02/66/599610266.db2.gz FGTWMQINTNUQEU-GDBMZVCRSA-N -1 3 392.463 3.594 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737056965 599610268 /nfs/dbraw/zinc/61/02/68/599610268.db2.gz FGTWMQINTNUQEU-GDBMZVCRSA-N -1 3 392.463 3.594 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCC2(CCCC2)CC1 ZINC000738145477 599612599 /nfs/dbraw/zinc/61/25/99/599612599.db2.gz MMYCYQGMGWYWPP-UHFFFAOYSA-N -1 3 392.410 3.656 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCC2(CCCC2)CC1 ZINC000738145477 599612601 /nfs/dbraw/zinc/61/26/01/599612601.db2.gz MMYCYQGMGWYWPP-UHFFFAOYSA-N -1 3 392.410 3.656 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735922236 599617020 /nfs/dbraw/zinc/61/70/20/599617020.db2.gz DEGXLCRKLIEMDD-OAHLLOKOSA-N -1 3 394.479 3.534 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735922236 599617022 /nfs/dbraw/zinc/61/70/22/599617022.db2.gz DEGXLCRKLIEMDD-OAHLLOKOSA-N -1 3 394.479 3.534 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820938840 599628443 /nfs/dbraw/zinc/62/84/43/599628443.db2.gz NMVGKYKDLZLECF-BZPMIXESSA-N -1 3 389.525 3.729 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820938840 599628444 /nfs/dbraw/zinc/62/84/44/599628444.db2.gz NMVGKYKDLZLECF-BZPMIXESSA-N -1 3 389.525 3.729 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)COc2cc(Cl)cc(Cl)c2)s1 ZINC000821466368 599630563 /nfs/dbraw/zinc/63/05/63/599630563.db2.gz WBCDPTQKXFRSGP-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)COc2cc(Cl)cc(Cl)c2)s1 ZINC000821466368 599630564 /nfs/dbraw/zinc/63/05/64/599630564.db2.gz WBCDPTQKXFRSGP-UHFFFAOYSA-N -1 3 398.275 3.815 20 0 GHADHM O=C(CCC1CCOCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822950564 599630780 /nfs/dbraw/zinc/63/07/80/599630780.db2.gz SVWQDEDSWGUVHT-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM O=C(CCC1CCOCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822950564 599630781 /nfs/dbraw/zinc/63/07/81/599630781.db2.gz SVWQDEDSWGUVHT-UHFFFAOYSA-N -1 3 389.525 3.733 20 0 GHADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CC2)c1 ZINC000822299809 599633128 /nfs/dbraw/zinc/63/31/28/599633128.db2.gz VOTYAFBYKUNHFO-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CC2)c1 ZINC000822299809 599633129 /nfs/dbraw/zinc/63/31/29/599633129.db2.gz VOTYAFBYKUNHFO-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000823303924 599634185 /nfs/dbraw/zinc/63/41/85/599634185.db2.gz YVFIQFZKVFGXHR-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000823303924 599634186 /nfs/dbraw/zinc/63/41/86/599634186.db2.gz YVFIQFZKVFGXHR-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CSc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821984325 599634598 /nfs/dbraw/zinc/63/45/98/599634598.db2.gz MSIDFZHRRHHJKU-UHFFFAOYSA-N -1 3 379.367 3.860 20 0 GHADHM CSc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821984325 599634599 /nfs/dbraw/zinc/63/45/99/599634599.db2.gz MSIDFZHRRHHJKU-UHFFFAOYSA-N -1 3 379.367 3.860 20 0 GHADHM CC(C)(NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000819991409 599637004 /nfs/dbraw/zinc/63/70/04/599637004.db2.gz GWLIAIFSLYNNTJ-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM CC(C)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000819991409 599637005 /nfs/dbraw/zinc/63/70/05/599637005.db2.gz GWLIAIFSLYNNTJ-UHFFFAOYSA-N -1 3 395.854 3.595 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000821700347 599646433 /nfs/dbraw/zinc/64/64/33/599646433.db2.gz LKKRUKCZWPHDPK-JTQLQIEISA-N -1 3 398.810 3.719 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000821700347 599646434 /nfs/dbraw/zinc/64/64/34/599646434.db2.gz LKKRUKCZWPHDPK-JTQLQIEISA-N -1 3 398.810 3.719 20 0 GHADHM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(C(F)(F)F)cs1 ZINC000820919895 599648114 /nfs/dbraw/zinc/64/81/14/599648114.db2.gz HDLVBZFFDQMAQA-SNVBAGLBSA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(C(F)(F)F)cs1 ZINC000820919895 599648115 /nfs/dbraw/zinc/64/81/15/599648115.db2.gz HDLVBZFFDQMAQA-SNVBAGLBSA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967753 599655983 /nfs/dbraw/zinc/65/59/83/599655983.db2.gz UZCCJUNEWBYORK-KUHUBIRLSA-N -1 3 376.464 3.871 20 0 GHADHM O=C(CCC(F)(F)F)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822950326 599669186 /nfs/dbraw/zinc/66/91/86/599669186.db2.gz KAVGUCUNHWBXTB-UHFFFAOYSA-N -1 3 376.338 3.919 20 0 GHADHM O=C(CCC(F)(F)F)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822950326 599669187 /nfs/dbraw/zinc/66/91/87/599669187.db2.gz KAVGUCUNHWBXTB-UHFFFAOYSA-N -1 3 376.338 3.919 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819882871 599670381 /nfs/dbraw/zinc/67/03/81/599670381.db2.gz CEDBBNBWONKRMZ-LLVKDONJSA-N -1 3 376.338 3.775 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819882871 599670382 /nfs/dbraw/zinc/67/03/82/599670382.db2.gz CEDBBNBWONKRMZ-LLVKDONJSA-N -1 3 376.338 3.775 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)o1 ZINC000822427267 599697931 /nfs/dbraw/zinc/69/79/31/599697931.db2.gz HLNITIQWBKEWRJ-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)o1 ZINC000822427267 599697932 /nfs/dbraw/zinc/69/79/32/599697932.db2.gz HLNITIQWBKEWRJ-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000736274725 599713869 /nfs/dbraw/zinc/71/38/69/599713869.db2.gz WWHLZCYZUMJVCE-HOTGVXAUSA-N -1 3 378.469 3.732 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000826252712 607388398 /nfs/dbraw/zinc/38/83/98/607388398.db2.gz OZAXLYAFLUWOEB-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000826252712 607388400 /nfs/dbraw/zinc/38/84/00/607388400.db2.gz OZAXLYAFLUWOEB-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820178414 607399221 /nfs/dbraw/zinc/39/92/21/607399221.db2.gz OYWUSCYKBMOFHU-UHFFFAOYSA-N -1 3 395.463 3.622 20 0 GHADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820178414 607399222 /nfs/dbraw/zinc/39/92/22/607399222.db2.gz OYWUSCYKBMOFHU-UHFFFAOYSA-N -1 3 395.463 3.622 20 0 GHADHM O=C([O-])N1CCC[C@H](NCc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000739927841 599860901 /nfs/dbraw/zinc/86/09/01/599860901.db2.gz RQHWIXFGPZNCGF-AWEZNQCLSA-N -1 3 379.254 3.941 20 0 GHADHM Cc1ccc2c(CCC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c[nH]c2c1 ZINC000826293538 607403330 /nfs/dbraw/zinc/40/33/30/607403330.db2.gz SQQQABDGEPXWEF-UHFFFAOYSA-N -1 3 375.432 3.641 20 0 GHADHM Cc1ccc2c(CCC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c[nH]c2c1 ZINC000826293538 607403332 /nfs/dbraw/zinc/40/33/32/607403332.db2.gz SQQQABDGEPXWEF-UHFFFAOYSA-N -1 3 375.432 3.641 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000820173597 607406658 /nfs/dbraw/zinc/40/66/58/607406658.db2.gz JBLRHTWIWAGBHQ-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000820173597 607406660 /nfs/dbraw/zinc/40/66/60/607406660.db2.gz JBLRHTWIWAGBHQ-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM COc1ccc([C@@H](NCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C(C)C)cc1 ZINC000737972758 600048725 /nfs/dbraw/zinc/04/87/25/600048725.db2.gz NZTLWBFLEWTRRE-SFHVURJKSA-N -1 3 390.505 3.997 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000736649774 600092246 /nfs/dbraw/zinc/09/22/46/600092246.db2.gz IZZLLRIRZPRYQB-ZDUSSCGKSA-N -1 3 380.460 3.649 20 0 GHADHM C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)N1CCC(Cc2ccccc2)CC1 ZINC000736212148 600251764 /nfs/dbraw/zinc/25/17/64/600251764.db2.gz QIUBIXDGVASBIH-KRWDZBQOSA-N -1 3 392.499 3.570 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736298034 600305576 /nfs/dbraw/zinc/30/55/76/600305576.db2.gz MQBDIOZSCWRCBU-UXHICEINSA-N -1 3 398.547 3.834 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736476692 600423372 /nfs/dbraw/zinc/42/33/72/600423372.db2.gz QNZZKZGBIWZOFG-KRWDZBQOSA-N -1 3 375.856 3.785 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000820534678 607450645 /nfs/dbraw/zinc/45/06/45/607450645.db2.gz MVQJKIIFNCEBIE-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000820534678 607450647 /nfs/dbraw/zinc/45/06/47/607450647.db2.gz MVQJKIIFNCEBIE-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1noc(C2CCCCC2)n1 ZINC000821699485 607466083 /nfs/dbraw/zinc/46/60/83/607466083.db2.gz RMRIBEUFAFOSOS-UHFFFAOYSA-N -1 3 390.831 3.538 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1noc(C2CCCCC2)n1 ZINC000821699485 607466085 /nfs/dbraw/zinc/46/60/85/607466085.db2.gz RMRIBEUFAFOSOS-UHFFFAOYSA-N -1 3 390.831 3.538 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825051859 607467290 /nfs/dbraw/zinc/46/72/90/607467290.db2.gz TVVLLDFCOMOFNK-ACJLOTCBSA-N -1 3 387.447 3.578 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825051859 607467292 /nfs/dbraw/zinc/46/72/92/607467292.db2.gz TVVLLDFCOMOFNK-ACJLOTCBSA-N -1 3 387.447 3.578 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824745363 607469133 /nfs/dbraw/zinc/46/91/33/607469133.db2.gz RERMWQUXIUJPIC-SSDOTTSWSA-N -1 3 384.248 3.641 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824745363 607469134 /nfs/dbraw/zinc/46/91/34/607469134.db2.gz RERMWQUXIUJPIC-SSDOTTSWSA-N -1 3 384.248 3.641 20 0 GHADHM Cc1cccc(NC[C@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000832970187 600832363 /nfs/dbraw/zinc/83/23/63/600832363.db2.gz DPKOFHCXBSCUBS-OAHLLOKOSA-N -1 3 389.883 3.554 20 0 GHADHM O=C([O-])C1CCN(C(=O)CN[C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000739592621 600957343 /nfs/dbraw/zinc/95/73/43/600957343.db2.gz IUEVCQWOWVLQMG-QFIPXVFZSA-N -1 3 394.515 3.663 20 0 GHADHM CN(C)c1ccccc1CN[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000830644193 601007179 /nfs/dbraw/zinc/00/71/79/601007179.db2.gz UTSYVLSCJTYZGW-SFHVURJKSA-N -1 3 377.282 3.605 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000826051052 601204695 /nfs/dbraw/zinc/20/46/95/601204695.db2.gz AACASOVMHOPPSS-APPDUMDISA-N -1 3 381.259 3.984 20 0 GHADHM CC1(OCC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1 ZINC000820629607 607499936 /nfs/dbraw/zinc/49/99/36/607499936.db2.gz YRYXWIXOMDKLLG-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM CC1(OCC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000820629607 607499937 /nfs/dbraw/zinc/49/99/37/607499937.db2.gz YRYXWIXOMDKLLG-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)ccc2n1 ZINC000822279637 607500654 /nfs/dbraw/zinc/50/06/54/607500654.db2.gz DIVDYOJYZJEFOP-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)ccc2n1 ZINC000822279637 607500655 /nfs/dbraw/zinc/50/06/55/607500655.db2.gz DIVDYOJYZJEFOP-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000827042724 601364296 /nfs/dbraw/zinc/36/42/96/601364296.db2.gz WHWVLDUWXMDQAC-UHFFFAOYSA-N -1 3 377.485 3.510 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1F ZINC000564472751 601626546 /nfs/dbraw/zinc/62/65/46/601626546.db2.gz ZKDXTOKRJXNRCC-UHFFFAOYSA-N -1 3 380.423 3.689 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832890536 601650940 /nfs/dbraw/zinc/65/09/40/601650940.db2.gz HJYZCAVHYDTBRU-VGOFRKELSA-N -1 3 395.503 3.585 20 0 GHADHM CCN(C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000829597350 601652609 /nfs/dbraw/zinc/65/26/09/601652609.db2.gz MGPJRNHEDAUGPW-XFQAVAEZSA-N -1 3 386.467 3.787 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000826055405 601654506 /nfs/dbraw/zinc/65/45/06/601654506.db2.gz ZWLHPRZSOIKOEH-SJKOYZFVSA-N -1 3 394.443 3.991 20 0 GHADHM Cc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1C(=O)[O-] ZINC000832944270 601731519 /nfs/dbraw/zinc/73/15/19/601731519.db2.gz AAKXICGWVHRUSH-UHFFFAOYSA-N -1 3 381.476 3.822 20 0 GHADHM COc1ccc(CSCc2cc(F)cc3cccnc32)cc1-c1nnn[n-]1 ZINC000826207793 607534301 /nfs/dbraw/zinc/53/43/01/607534301.db2.gz DMOXPBDRIXXVKW-UHFFFAOYSA-N -1 3 381.436 3.996 20 0 GHADHM COc1ccc(CSCc2cc(F)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000826207793 607534302 /nfs/dbraw/zinc/53/43/02/607534302.db2.gz DMOXPBDRIXXVKW-UHFFFAOYSA-N -1 3 381.436 3.996 20 0 GHADHM CCc1ncsc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825754972 607537327 /nfs/dbraw/zinc/53/73/27/607537327.db2.gz LUPKAKPAJUDPRO-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1ncsc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825754972 607537328 /nfs/dbraw/zinc/53/73/28/607537328.db2.gz LUPKAKPAJUDPRO-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](NC[C@H]2CCCN(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000740134573 602000734 /nfs/dbraw/zinc/00/07/34/602000734.db2.gz NNKUZEFOZLCLSI-XLIONFOSSA-N -1 3 381.476 3.654 20 0 GHADHM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177146 602043069 /nfs/dbraw/zinc/04/30/69/602043069.db2.gz OHOSBTMMACLHEF-JXFKEZNVSA-N -1 3 395.503 3.833 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1-c1nnn[n-]1 ZINC000826207946 607542207 /nfs/dbraw/zinc/54/22/07/607542207.db2.gz LRHJKTPJKDMOCV-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1-c1nn[n-]n1 ZINC000826207946 607542209 /nfs/dbraw/zinc/54/22/09/607542209.db2.gz LRHJKTPJKDMOCV-UHFFFAOYSA-N -1 3 380.433 3.526 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000828804734 602212204 /nfs/dbraw/zinc/21/22/04/602212204.db2.gz RHMWFQGDPMTQAF-UHFFFAOYSA-N -1 3 384.436 3.823 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)ccc21 ZINC000740406995 602281773 /nfs/dbraw/zinc/28/17/73/602281773.db2.gz ZBIRMQVPGZXOFX-FQEVSTJZSA-N -1 3 394.475 3.686 20 0 GHADHM CCN(CCNCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)[O-] ZINC000739435063 602312043 /nfs/dbraw/zinc/31/20/43/602312043.db2.gz YFGKKXBBPSJZGR-UHFFFAOYSA-N -1 3 375.856 3.682 20 0 GHADHM COc1ccc(CNCc2csc(-c3ccc(C)cc3)n2)cc1-c1nnn[n-]1 ZINC000826202810 607567995 /nfs/dbraw/zinc/56/79/95/607567995.db2.gz NTLGXCGPKNTCJL-UHFFFAOYSA-N -1 3 392.488 3.597 20 0 GHADHM COc1ccc(CNCc2csc(-c3ccc(C)cc3)n2)cc1-c1nn[n-]n1 ZINC000826202810 607567996 /nfs/dbraw/zinc/56/79/96/607567996.db2.gz NTLGXCGPKNTCJL-UHFFFAOYSA-N -1 3 392.488 3.597 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825028395 607577085 /nfs/dbraw/zinc/57/70/85/607577085.db2.gz HQEVAWIBISYHLS-RHIYTYFCSA-N -1 3 377.448 3.546 20 0 GHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825028395 607577086 /nfs/dbraw/zinc/57/70/86/607577086.db2.gz HQEVAWIBISYHLS-RHIYTYFCSA-N -1 3 377.448 3.546 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000740253380 602648802 /nfs/dbraw/zinc/64/88/02/602648802.db2.gz PSISFQUCUOBDHD-UHFFFAOYSA-N -1 3 397.306 3.779 20 0 GHADHM COc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826202079 607593088 /nfs/dbraw/zinc/59/30/88/607593088.db2.gz NNFXLUOKNAMYNB-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826202079 607593089 /nfs/dbraw/zinc/59/30/89/607593089.db2.gz NNFXLUOKNAMYNB-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739612108 603039452 /nfs/dbraw/zinc/03/94/52/603039452.db2.gz GFLIQYXULSCHEF-UHFFFAOYSA-N -1 3 392.406 3.650 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3cc(NC(=O)[O-])ccc3F)CC2)CC1 ZINC000739084843 603042020 /nfs/dbraw/zinc/04/20/20/603042020.db2.gz KLMCEYQSDDGRBD-UHFFFAOYSA-N -1 3 378.448 3.644 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)N(C)C)cc1 ZINC000740118212 603364144 /nfs/dbraw/zinc/36/41/44/603364144.db2.gz PSZBJPMHYDCKFF-LJQANCHMSA-N -1 3 384.480 3.529 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000825880719 603375508 /nfs/dbraw/zinc/37/55/08/603375508.db2.gz PNOSGQLZTQDUIN-KOHRHEQBSA-N -1 3 388.512 3.743 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000825434103 603384883 /nfs/dbraw/zinc/38/48/83/603384883.db2.gz MFHCCMTXJBPIOI-HZPDHXFCSA-N -1 3 384.480 3.657 20 0 GHADHM C[C@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645412 603636826 /nfs/dbraw/zinc/63/68/26/603636826.db2.gz OCCJPZRKKRIIOZ-KSSFIOAISA-N -1 3 380.448 3.911 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000826243379 607649760 /nfs/dbraw/zinc/64/97/60/607649760.db2.gz GWPOMPSAPCFAPC-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000826243379 607649762 /nfs/dbraw/zinc/64/97/62/607649762.db2.gz GWPOMPSAPCFAPC-UHFFFAOYSA-N -1 3 376.247 3.754 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1cccc(Br)c1 ZINC000825379977 607661442 /nfs/dbraw/zinc/66/14/42/607661442.db2.gz NDKYOPIDCVXTPZ-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1cccc(Br)c1 ZINC000825379977 607661444 /nfs/dbraw/zinc/66/14/44/607661444.db2.gz NDKYOPIDCVXTPZ-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000826249988 607665434 /nfs/dbraw/zinc/66/54/34/607665434.db2.gz DYPFQXRWWFOBLM-UHFFFAOYSA-N -1 3 399.458 3.627 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000826249988 607665438 /nfs/dbraw/zinc/66/54/38/607665438.db2.gz DYPFQXRWWFOBLM-UHFFFAOYSA-N -1 3 399.458 3.627 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000826245505 607666966 /nfs/dbraw/zinc/66/69/66/607666966.db2.gz ZTVBLKGBGHCHCN-CQSZACIVSA-N -1 3 399.857 3.815 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000826245505 607666969 /nfs/dbraw/zinc/66/69/69/607666969.db2.gz ZTVBLKGBGHCHCN-CQSZACIVSA-N -1 3 399.857 3.815 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000826251314 607667258 /nfs/dbraw/zinc/66/72/58/607667258.db2.gz LQSFLBVQMBXDEY-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000826251314 607667260 /nfs/dbraw/zinc/66/72/60/607667260.db2.gz LQSFLBVQMBXDEY-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000831826124 604237032 /nfs/dbraw/zinc/23/70/32/604237032.db2.gz KTNGEJVIUXGEJC-KRWDZBQOSA-N -1 3 386.414 3.593 20 0 GHADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000825263468 604251439 /nfs/dbraw/zinc/25/14/39/604251439.db2.gz GTKWYHWEYGXDRS-APWZRJJASA-N -1 3 381.476 3.807 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000826250430 607683939 /nfs/dbraw/zinc/68/39/39/607683939.db2.gz ARGFPLUQLUOKNR-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000826250430 607683940 /nfs/dbraw/zinc/68/39/40/607683940.db2.gz ARGFPLUQLUOKNR-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000826244937 607685015 /nfs/dbraw/zinc/68/50/15/607685015.db2.gz INPNERVKFAURSR-SFHVURJKSA-N -1 3 379.439 3.552 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000826244937 607685017 /nfs/dbraw/zinc/68/50/17/607685017.db2.gz INPNERVKFAURSR-SFHVURJKSA-N -1 3 379.439 3.552 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826250056 607685342 /nfs/dbraw/zinc/68/53/42/607685342.db2.gz IRXSMLJSFHXNBD-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826250056 607685344 /nfs/dbraw/zinc/68/53/44/607685344.db2.gz IRXSMLJSFHXNBD-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccc(F)cc1F ZINC000824384742 607691450 /nfs/dbraw/zinc/69/14/50/607691450.db2.gz GSUOHVGIZOUTDF-CYBMUJFWSA-N -1 3 397.429 3.830 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccc(F)cc1F ZINC000824384742 607691452 /nfs/dbraw/zinc/69/14/52/607691452.db2.gz GSUOHVGIZOUTDF-CYBMUJFWSA-N -1 3 397.429 3.830 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccccc2C(F)(F)F)c1 ZINC000832041108 604455368 /nfs/dbraw/zinc/45/53/68/604455368.db2.gz NZFUUDIYOWCYNB-KRWDZBQOSA-N -1 3 383.366 3.980 20 0 GHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC1CCN(C(=O)[O-])CC1 ZINC000833512062 604511117 /nfs/dbraw/zinc/51/11/17/604511117.db2.gz MSWKDZKSCBMQJD-UHFFFAOYSA-N -1 3 390.915 3.940 20 0 GHADHM COc1cc(N[C@H]2CCCN([C@H](C(=O)[O-])c3ccccc3F)C2)cc(OC)c1 ZINC000832026287 604801399 /nfs/dbraw/zinc/80/13/99/604801399.db2.gz KVRJCXNGYQRCOA-XOBRGWDASA-N -1 3 388.439 3.545 20 0 GHADHM CC1(C)CCC(CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000824796004 607720024 /nfs/dbraw/zinc/72/00/24/607720024.db2.gz LGKVCEVSZWJPOZ-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCC(CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000824796004 607720027 /nfs/dbraw/zinc/72/00/27/607720027.db2.gz LGKVCEVSZWJPOZ-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000325378734 604936241 /nfs/dbraw/zinc/93/62/41/604936241.db2.gz RTCKYCBWUUOQMD-ZDUSSCGKSA-N -1 3 398.297 3.543 20 0 GHADHM Cc1noc(C)c1[C@H](C)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000826338820 607734205 /nfs/dbraw/zinc/73/42/05/607734205.db2.gz JAZLQDOLLUYSCN-MRVPVSSYSA-N -1 3 385.378 3.514 20 0 GHADHM Cc1noc(C)c1[C@H](C)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000826338820 607734206 /nfs/dbraw/zinc/73/42/06/607734206.db2.gz JAZLQDOLLUYSCN-MRVPVSSYSA-N -1 3 385.378 3.514 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000826353608 607737621 /nfs/dbraw/zinc/73/76/21/607737621.db2.gz WQQCTQRNTCNFPI-CYBMUJFWSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000826353608 607737622 /nfs/dbraw/zinc/73/76/22/607737622.db2.gz WQQCTQRNTCNFPI-CYBMUJFWSA-N -1 3 392.850 3.726 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C2CCOCC2)CC1 ZINC000826268287 607738989 /nfs/dbraw/zinc/73/89/89/607738989.db2.gz RGNJOMQUPWKVLS-UHFFFAOYSA-N -1 3 396.470 3.505 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(C2CCOCC2)CC1 ZINC000826268287 607738990 /nfs/dbraw/zinc/73/89/90/607738990.db2.gz RGNJOMQUPWKVLS-UHFFFAOYSA-N -1 3 396.470 3.505 20 0 GHADHM CC(C)(C)c1nc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cs1 ZINC000833450844 605219125 /nfs/dbraw/zinc/21/91/25/605219125.db2.gz MBERCMKRWVZFPQ-OAQYLSRUSA-N -1 3 387.549 3.650 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824801985 607743246 /nfs/dbraw/zinc/74/32/46/607743246.db2.gz IXWTYXCUUQUTMY-MRXNPFEDSA-N -1 3 396.539 3.558 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824801985 607743247 /nfs/dbraw/zinc/74/32/47/607743247.db2.gz IXWTYXCUUQUTMY-MRXNPFEDSA-N -1 3 396.539 3.558 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824808670 607758274 /nfs/dbraw/zinc/75/82/74/607758274.db2.gz WOQWNYGIQFOJDB-SFHVURJKSA-N -1 3 394.454 3.519 20 0 GHADHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824808670 607758275 /nfs/dbraw/zinc/75/82/75/607758275.db2.gz WOQWNYGIQFOJDB-SFHVURJKSA-N -1 3 394.454 3.519 20 0 GHADHM C[C@H](Oc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833538499 605550211 /nfs/dbraw/zinc/55/02/11/605550211.db2.gz CXFDTAVAQZJFHX-INIZCTEOSA-N -1 3 387.451 3.859 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824928525 607769482 /nfs/dbraw/zinc/76/94/82/607769482.db2.gz ULFDPSUTLDAZCN-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824928525 607769483 /nfs/dbraw/zinc/76/94/83/607769483.db2.gz ULFDPSUTLDAZCN-WFASDCNBSA-N -1 3 398.492 3.524 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)sc1C ZINC000826261189 607769637 /nfs/dbraw/zinc/76/96/37/607769637.db2.gz UZBYLPFXSQQCMD-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)sc1C ZINC000826261189 607769638 /nfs/dbraw/zinc/76/96/38/607769638.db2.gz UZBYLPFXSQQCMD-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1C ZINC000826282416 607769795 /nfs/dbraw/zinc/76/97/95/607769795.db2.gz NXYPWGQUSIZERQ-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1C ZINC000826282416 607769796 /nfs/dbraw/zinc/76/97/96/607769796.db2.gz NXYPWGQUSIZERQ-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824917334 607771946 /nfs/dbraw/zinc/77/19/46/607771946.db2.gz NOOJKAHSIKPALV-UGSOOPFHSA-N -1 3 379.489 3.714 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917334 607771947 /nfs/dbraw/zinc/77/19/47/607771947.db2.gz NOOJKAHSIKPALV-UGSOOPFHSA-N -1 3 379.489 3.714 20 0 GHADHM C[C@H]1CN([C@H](CNCc2cc(C(=O)[O-])ccc2Cl)c2cccs2)CCO1 ZINC000833625851 605832191 /nfs/dbraw/zinc/83/21/91/605832191.db2.gz NIGOFFLLMPEIER-SUMWQHHRSA-N -1 3 394.924 3.651 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820988996 606026532 /nfs/dbraw/zinc/02/65/32/606026532.db2.gz JZWFEBGAZVTURO-NGRMBUTOSA-N -1 3 387.487 3.922 20 0 GHADHM CC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820988996 606026538 /nfs/dbraw/zinc/02/65/38/606026538.db2.gz JZWFEBGAZVTURO-NGRMBUTOSA-N -1 3 387.487 3.922 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000820989172 606053789 /nfs/dbraw/zinc/05/37/89/606053789.db2.gz NJIARQLBSSXLQK-FXAWDEMLSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000820989172 606053795 /nfs/dbraw/zinc/05/37/95/606053795.db2.gz NJIARQLBSSXLQK-FXAWDEMLSA-N -1 3 390.491 3.592 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C/C=C/c1cccc(F)c1 ZINC000821699191 606123251 /nfs/dbraw/zinc/12/32/51/606123251.db2.gz FWPAMUQPWOATDQ-HWKANZROSA-N -1 3 388.786 3.677 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C/C=C/c1cccc(F)c1 ZINC000821699191 606123253 /nfs/dbraw/zinc/12/32/53/606123253.db2.gz FWPAMUQPWOATDQ-HWKANZROSA-N -1 3 388.786 3.677 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000820342118 606162811 /nfs/dbraw/zinc/16/28/11/606162811.db2.gz TZZRMLSFEOLJOQ-SJORKVTESA-N -1 3 392.507 3.979 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000820342118 606162813 /nfs/dbraw/zinc/16/28/13/606162813.db2.gz TZZRMLSFEOLJOQ-SJORKVTESA-N -1 3 392.507 3.979 20 0 GHADHM Cc1ccnc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822373922 606246942 /nfs/dbraw/zinc/24/69/42/606246942.db2.gz GBKGLZRYLCKEPJ-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccnc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822373922 606246943 /nfs/dbraw/zinc/24/69/43/606246943.db2.gz GBKGLZRYLCKEPJ-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000820386370 606259055 /nfs/dbraw/zinc/25/90/55/606259055.db2.gz YMAFWGZBHWQNEA-LBPRGKRZSA-N -1 3 392.394 3.617 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000820386370 606259057 /nfs/dbraw/zinc/25/90/57/606259057.db2.gz YMAFWGZBHWQNEA-LBPRGKRZSA-N -1 3 392.394 3.617 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823357704 606259821 /nfs/dbraw/zinc/25/98/21/606259821.db2.gz ZFSHHYRTZCHQAL-LSDHHAIUSA-N -1 3 379.395 3.783 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823357704 606259822 /nfs/dbraw/zinc/25/98/22/606259822.db2.gz ZFSHHYRTZCHQAL-LSDHHAIUSA-N -1 3 379.395 3.783 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1C(C)C ZINC000822210625 606270385 /nfs/dbraw/zinc/27/03/85/606270385.db2.gz KZUZXEPZPZNISX-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1C(C)C ZINC000822210625 606270387 /nfs/dbraw/zinc/27/03/87/606270387.db2.gz KZUZXEPZPZNISX-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823497961 606282249 /nfs/dbraw/zinc/28/22/49/606282249.db2.gz BWPCZSDXEBBNMD-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823497961 606282251 /nfs/dbraw/zinc/28/22/51/606282251.db2.gz BWPCZSDXEBBNMD-UHFFFAOYSA-N -1 3 389.431 3.791 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820870707 606300508 /nfs/dbraw/zinc/30/05/08/606300508.db2.gz XSSKKWGMPCIOMH-AWEZNQCLSA-N -1 3 383.452 3.547 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820870707 606300509 /nfs/dbraw/zinc/30/05/09/606300509.db2.gz XSSKKWGMPCIOMH-AWEZNQCLSA-N -1 3 383.452 3.547 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(SC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644731 606305149 /nfs/dbraw/zinc/30/51/49/606305149.db2.gz HRRRCIXIULUGAC-AWEZNQCLSA-N -1 3 391.403 3.508 20 0 GHADHM COC(=O)[C@@H](Nc1cccc(SC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644731 606305150 /nfs/dbraw/zinc/30/51/50/606305150.db2.gz HRRRCIXIULUGAC-AWEZNQCLSA-N -1 3 391.403 3.508 20 0 GHADHM CC(C)C[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820054817 606325324 /nfs/dbraw/zinc/32/53/24/606325324.db2.gz CQXXIQPWVXIEEW-GOSISDBHSA-N -1 3 381.505 3.862 20 0 GHADHM CC(C)C[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820054817 606325325 /nfs/dbraw/zinc/32/53/25/606325325.db2.gz CQXXIQPWVXIEEW-GOSISDBHSA-N -1 3 381.505 3.862 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820666735 606348787 /nfs/dbraw/zinc/34/87/87/606348787.db2.gz JHBVGHXRHSPQBG-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820666735 606348790 /nfs/dbraw/zinc/34/87/90/606348790.db2.gz JHBVGHXRHSPQBG-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820919442 606358679 /nfs/dbraw/zinc/35/86/79/606358679.db2.gz BZAYSOUPKAYLEP-AWEZNQCLSA-N -1 3 376.342 3.557 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820919442 606358680 /nfs/dbraw/zinc/35/86/80/606358680.db2.gz BZAYSOUPKAYLEP-AWEZNQCLSA-N -1 3 376.342 3.557 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](CC)Oc2ccccc2Cl)s1 ZINC000821465290 606372382 /nfs/dbraw/zinc/37/23/82/606372382.db2.gz DZOIWHNDJOHPQS-ZDUSSCGKSA-N -1 3 391.884 3.940 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](CC)Oc2ccccc2Cl)s1 ZINC000821465290 606372384 /nfs/dbraw/zinc/37/23/84/606372384.db2.gz DZOIWHNDJOHPQS-ZDUSSCGKSA-N -1 3 391.884 3.940 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@H]1CCCSC1 ZINC000823356892 606383274 /nfs/dbraw/zinc/38/32/74/606383274.db2.gz QSUADPYFXFEVJB-AWEZNQCLSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@H]1CCCSC1 ZINC000823356892 606383276 /nfs/dbraw/zinc/38/32/76/606383276.db2.gz QSUADPYFXFEVJB-AWEZNQCLSA-N -1 3 396.476 3.676 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822424681 606409587 /nfs/dbraw/zinc/40/95/87/606409587.db2.gz ZLMQRZRLZWKNTE-GFCCVEGCSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822424681 606409589 /nfs/dbraw/zinc/40/95/89/606409589.db2.gz ZLMQRZRLZWKNTE-GFCCVEGCSA-N -1 3 394.460 3.555 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823359311 606439532 /nfs/dbraw/zinc/43/95/32/606439532.db2.gz LVIFWUZUXSWEBL-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823359311 606439534 /nfs/dbraw/zinc/43/95/34/606439534.db2.gz LVIFWUZUXSWEBL-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820650596 606446391 /nfs/dbraw/zinc/44/63/91/606446391.db2.gz VXZKDZXOZVYSDE-IYBDPMFKSA-N -1 3 390.491 3.597 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820650596 606446393 /nfs/dbraw/zinc/44/63/93/606446393.db2.gz VXZKDZXOZVYSDE-IYBDPMFKSA-N -1 3 390.491 3.597 20 0 GHADHM CN(C)C(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821580016 606446811 /nfs/dbraw/zinc/44/68/11/606446811.db2.gz WLDXGNVRPPUDMP-UHFFFAOYSA-N -1 3 398.470 3.848 20 0 GHADHM CN(C)C(=O)c1ccccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821580016 606446813 /nfs/dbraw/zinc/44/68/13/606446813.db2.gz WLDXGNVRPPUDMP-UHFFFAOYSA-N -1 3 398.470 3.848 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822168490 606449090 /nfs/dbraw/zinc/44/90/90/606449090.db2.gz OEBMJBQCYGZNQS-UHFFFAOYSA-N -1 3 390.491 3.659 20 0 GHADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822168490 606449092 /nfs/dbraw/zinc/44/90/92/606449092.db2.gz OEBMJBQCYGZNQS-UHFFFAOYSA-N -1 3 390.491 3.659 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000822761283 606450748 /nfs/dbraw/zinc/45/07/48/606450748.db2.gz GRISBDZESMAFMF-MRXNPFEDSA-N -1 3 383.427 3.566 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000822761283 606450750 /nfs/dbraw/zinc/45/07/50/606450750.db2.gz GRISBDZESMAFMF-MRXNPFEDSA-N -1 3 383.427 3.566 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1OC(F)F ZINC000820506840 606468022 /nfs/dbraw/zinc/46/80/22/606468022.db2.gz CPCZTZVQLQOMRZ-SSDOTTSWSA-N -1 3 384.339 3.587 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1OC(F)F ZINC000820506840 606468025 /nfs/dbraw/zinc/46/80/25/606468025.db2.gz CPCZTZVQLQOMRZ-SSDOTTSWSA-N -1 3 384.339 3.587 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350539 606476109 /nfs/dbraw/zinc/47/61/09/606476109.db2.gz QQPFEZDMSKFLSR-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350539 606476111 /nfs/dbraw/zinc/47/61/11/606476111.db2.gz QQPFEZDMSKFLSR-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1Cl ZINC000820334171 606492758 /nfs/dbraw/zinc/49/27/58/606492758.db2.gz KFQWNQKQKXWNMN-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1Cl ZINC000820334171 606492759 /nfs/dbraw/zinc/49/27/59/606492759.db2.gz KFQWNQKQKXWNMN-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000820333819 606492932 /nfs/dbraw/zinc/49/29/32/606492932.db2.gz GXMIQEHCXPPFQM-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000820333819 606492934 /nfs/dbraw/zinc/49/29/34/606492934.db2.gz GXMIQEHCXPPFQM-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000820334534 606502829 /nfs/dbraw/zinc/50/28/29/606502829.db2.gz NDUVKIPMAAXODO-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Cl ZINC000820334534 606502831 /nfs/dbraw/zinc/50/28/31/606502831.db2.gz NDUVKIPMAAXODO-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM CC(NC(=O)c1cc(-c2nnn[n-]2)cs1)(c1ccccc1)c1ccccc1 ZINC000820391417 606506854 /nfs/dbraw/zinc/50/68/54/606506854.db2.gz PKERDRUZNKNRLP-UHFFFAOYSA-N -1 3 375.457 3.622 20 0 GHADHM CC(NC(=O)c1cc(-c2nn[n-]n2)cs1)(c1ccccc1)c1ccccc1 ZINC000820391417 606506855 /nfs/dbraw/zinc/50/68/55/606506855.db2.gz PKERDRUZNKNRLP-UHFFFAOYSA-N -1 3 375.457 3.622 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCC1CCC1 ZINC000822211727 606508564 /nfs/dbraw/zinc/50/85/64/606508564.db2.gz MDYZWGPACSORAU-UHFFFAOYSA-N -1 3 378.436 3.881 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000823108476 606510756 /nfs/dbraw/zinc/51/07/56/606510756.db2.gz OKHJXDCRGNVNHW-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000823108476 606510758 /nfs/dbraw/zinc/51/07/58/606510758.db2.gz OKHJXDCRGNVNHW-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM CN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821614575 606516870 /nfs/dbraw/zinc/51/68/70/606516870.db2.gz LPOOYQCQHZRIHH-UHFFFAOYSA-N -1 3 398.470 3.684 20 0 GHADHM CN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821614575 606516871 /nfs/dbraw/zinc/51/68/71/606516871.db2.gz LPOOYQCQHZRIHH-UHFFFAOYSA-N -1 3 398.470 3.684 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823472215 606520189 /nfs/dbraw/zinc/52/01/89/606520189.db2.gz DPMQYHRFPRWHBM-GOSISDBHSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823472215 606520191 /nfs/dbraw/zinc/52/01/91/606520191.db2.gz DPMQYHRFPRWHBM-GOSISDBHSA-N -1 3 387.468 3.868 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000823092690 606533223 /nfs/dbraw/zinc/53/32/23/606533223.db2.gz IANDEEOIVOTAAV-UHFFFAOYSA-N -1 3 395.894 3.691 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000823092690 606533224 /nfs/dbraw/zinc/53/32/24/606533224.db2.gz IANDEEOIVOTAAV-UHFFFAOYSA-N -1 3 395.894 3.691 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570251 606570679 /nfs/dbraw/zinc/57/06/79/606570679.db2.gz FMRMNHRNRATXEK-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570251 606570680 /nfs/dbraw/zinc/57/06/80/606570680.db2.gz FMRMNHRNRATXEK-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N1CCC[C@@H]1C ZINC000822211788 606574489 /nfs/dbraw/zinc/57/44/89/606574489.db2.gz OOXDVSOXTKTAGC-AWEZNQCLSA-N -1 3 378.436 3.984 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N1CCC[C@@H]1C ZINC000822211788 606574490 /nfs/dbraw/zinc/57/44/90/606574490.db2.gz OOXDVSOXTKTAGC-AWEZNQCLSA-N -1 3 378.436 3.984 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821154821 606577841 /nfs/dbraw/zinc/57/78/41/606577841.db2.gz SGGOZUWVWSYTEE-FQEVSTJZSA-N -1 3 395.482 3.664 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821154821 606577843 /nfs/dbraw/zinc/57/78/43/606577843.db2.gz SGGOZUWVWSYTEE-FQEVSTJZSA-N -1 3 395.482 3.664 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821717762 606579722 /nfs/dbraw/zinc/57/97/22/606579722.db2.gz XRQIFSMHAOIVHW-SECBINFHSA-N -1 3 392.246 3.673 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821717762 606579723 /nfs/dbraw/zinc/57/97/23/606579723.db2.gz XRQIFSMHAOIVHW-SECBINFHSA-N -1 3 392.246 3.673 20 0 GHADHM O=C1c2cccc3cccc(c23)N1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823551446 606596098 /nfs/dbraw/zinc/59/60/98/606596098.db2.gz QZQWQBGWDYVRKX-UHFFFAOYSA-N -1 3 393.353 3.782 20 0 GHADHM O=C1c2cccc3cccc(c23)N1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823551446 606596099 /nfs/dbraw/zinc/59/60/99/606596099.db2.gz QZQWQBGWDYVRKX-UHFFFAOYSA-N -1 3 393.353 3.782 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000821859633 606600983 /nfs/dbraw/zinc/60/09/83/606600983.db2.gz RKNNWDNBZSAPCR-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM COc1cccc([C@H](C)CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000821859633 606600985 /nfs/dbraw/zinc/60/09/85/606600985.db2.gz RKNNWDNBZSAPCR-GFCCVEGCSA-N -1 3 397.504 3.948 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000819854948 606601603 /nfs/dbraw/zinc/60/16/03/606601603.db2.gz DMSFEHCRQGVVRS-ZDUSSCGKSA-N -1 3 375.407 3.926 20 0 GHADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000819854948 606601605 /nfs/dbraw/zinc/60/16/05/606601605.db2.gz DMSFEHCRQGVVRS-ZDUSSCGKSA-N -1 3 375.407 3.926 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000821465988 606602857 /nfs/dbraw/zinc/60/28/57/606602857.db2.gz SYSCYCRDUDZAJS-NSHDSACASA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000821465988 606602858 /nfs/dbraw/zinc/60/28/58/606602858.db2.gz SYSCYCRDUDZAJS-NSHDSACASA-N -1 3 385.493 3.940 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000822930187 606605634 /nfs/dbraw/zinc/60/56/34/606605634.db2.gz YNSKWQKOQHDZON-BLIJAFNYSA-N -1 3 379.386 3.507 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000822930187 606605636 /nfs/dbraw/zinc/60/56/36/606605636.db2.gz YNSKWQKOQHDZON-BLIJAFNYSA-N -1 3 379.386 3.507 20 0 GHADHM CN(Cc1csc(CCc2ccccc2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821613226 606612708 /nfs/dbraw/zinc/61/27/08/606612708.db2.gz CVDISOXOCYCKGQ-UHFFFAOYSA-N -1 3 390.516 3.740 20 0 GHADHM CN(Cc1csc(CCc2ccccc2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821613226 606612710 /nfs/dbraw/zinc/61/27/10/606612710.db2.gz CVDISOXOCYCKGQ-UHFFFAOYSA-N -1 3 390.516 3.740 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820674049 606618946 /nfs/dbraw/zinc/61/89/46/606618946.db2.gz AYPZGGKHNJNCRT-ODUNQGDFSA-N -1 3 376.420 3.739 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820674049 606618947 /nfs/dbraw/zinc/61/89/47/606618947.db2.gz AYPZGGKHNJNCRT-ODUNQGDFSA-N -1 3 376.420 3.739 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000821777535 606628740 /nfs/dbraw/zinc/62/87/40/606628740.db2.gz HOQUEDCMPQRWTG-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000821777535 606628741 /nfs/dbraw/zinc/62/87/41/606628741.db2.gz HOQUEDCMPQRWTG-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820555349 606630444 /nfs/dbraw/zinc/63/04/44/606630444.db2.gz JRKFAOGHGJQUQN-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000820555349 606630446 /nfs/dbraw/zinc/63/04/46/606630446.db2.gz JRKFAOGHGJQUQN-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000821831527 606630834 /nfs/dbraw/zinc/63/08/34/606630834.db2.gz CHUXTYNPBNFAJW-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000821831527 606630837 /nfs/dbraw/zinc/63/08/37/606630837.db2.gz CHUXTYNPBNFAJW-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000820462237 606634687 /nfs/dbraw/zinc/63/46/87/606634687.db2.gz WCXQAOWGKAGLSQ-QMMMGPOBSA-N -1 3 384.749 3.987 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000820462237 606634688 /nfs/dbraw/zinc/63/46/88/606634688.db2.gz WCXQAOWGKAGLSQ-QMMMGPOBSA-N -1 3 384.749 3.987 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000822394724 606645893 /nfs/dbraw/zinc/64/58/93/606645893.db2.gz FKMPMCGJDSKURR-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000822394724 606645894 /nfs/dbraw/zinc/64/58/94/606645894.db2.gz FKMPMCGJDSKURR-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000822436029 606665479 /nfs/dbraw/zinc/66/54/79/606665479.db2.gz GASHSYDEOYKCMF-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000822436029 606665480 /nfs/dbraw/zinc/66/54/80/606665480.db2.gz GASHSYDEOYKCMF-UHFFFAOYSA-N -1 3 376.873 3.736 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000820086978 606670642 /nfs/dbraw/zinc/67/06/42/606670642.db2.gz ISKPXHSVEKMPQT-NHCUHLMSSA-N -1 3 389.503 3.730 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000820086978 606670643 /nfs/dbraw/zinc/67/06/43/606670643.db2.gz ISKPXHSVEKMPQT-NHCUHLMSSA-N -1 3 389.503 3.730 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823453985 606670726 /nfs/dbraw/zinc/67/07/26/606670726.db2.gz HRZADDPVZKPHNV-SFHVURJKSA-N -1 3 395.413 3.827 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000823453985 606670727 /nfs/dbraw/zinc/67/07/27/606670727.db2.gz HRZADDPVZKPHNV-SFHVURJKSA-N -1 3 395.413 3.827 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819958756 606675785 /nfs/dbraw/zinc/67/57/85/606675785.db2.gz PSFMYUVGPONVOP-UHFFFAOYSA-N -1 3 383.402 3.645 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819958756 606675786 /nfs/dbraw/zinc/67/57/86/606675786.db2.gz PSFMYUVGPONVOP-UHFFFAOYSA-N -1 3 383.402 3.645 20 0 GHADHM CC(C)(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000819980646 606676684 /nfs/dbraw/zinc/67/66/84/606676684.db2.gz GPBFDZGCWSEGEX-UHFFFAOYSA-N -1 3 391.809 3.506 20 0 GHADHM CC(C)(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000819980646 606676685 /nfs/dbraw/zinc/67/66/85/606676685.db2.gz GPBFDZGCWSEGEX-UHFFFAOYSA-N -1 3 391.809 3.506 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820191928 606678012 /nfs/dbraw/zinc/67/80/12/606678012.db2.gz AVWJFULORDTULM-UHFFFAOYSA-N -1 3 385.418 3.933 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820191928 606678013 /nfs/dbraw/zinc/67/80/13/606678013.db2.gz AVWJFULORDTULM-UHFFFAOYSA-N -1 3 385.418 3.933 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820038089 606689279 /nfs/dbraw/zinc/68/92/79/606689279.db2.gz KMYZYJGLVJMKLJ-QGZVFWFLSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820038089 606689280 /nfs/dbraw/zinc/68/92/80/606689280.db2.gz KMYZYJGLVJMKLJ-QGZVFWFLSA-N -1 3 391.475 3.564 20 0 GHADHM CCCOc1cc(C)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821127634 606699232 /nfs/dbraw/zinc/69/92/32/606699232.db2.gz KVFWQFWRKMZDFL-UHFFFAOYSA-N -1 3 391.435 3.626 20 0 GHADHM CCCOc1cc(C)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821127634 606699234 /nfs/dbraw/zinc/69/92/34/606699234.db2.gz KVFWQFWRKMZDFL-UHFFFAOYSA-N -1 3 391.435 3.626 20 0 GHADHM Cc1ccc(-c2nnc(CNc3cc(-c4nnn[n-]4)ccc3OC(C)C)o2)cc1 ZINC000822214016 606701412 /nfs/dbraw/zinc/70/14/12/606701412.db2.gz LRQVUPMXYHUCLO-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccc(-c2nnc(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)o2)cc1 ZINC000822214016 606701414 /nfs/dbraw/zinc/70/14/14/606701414.db2.gz LRQVUPMXYHUCLO-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1Br ZINC000822220064 606717137 /nfs/dbraw/zinc/71/71/37/606717137.db2.gz BPRNETLFAFYAKC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1Br ZINC000822220064 606717139 /nfs/dbraw/zinc/71/71/39/606717139.db2.gz BPRNETLFAFYAKC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c(OC[C@H]2CCOC2)c1 ZINC000822238331 606726382 /nfs/dbraw/zinc/72/63/82/606726382.db2.gz CNHNAGMNJLOKJM-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c(OC[C@H]2CCOC2)c1 ZINC000822238331 606726383 /nfs/dbraw/zinc/72/63/83/606726383.db2.gz CNHNAGMNJLOKJM-AWEZNQCLSA-N -1 3 399.882 3.856 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820183967 606744660 /nfs/dbraw/zinc/74/46/60/606744660.db2.gz PSHITFIPRAJCCC-CYBMUJFWSA-N -1 3 383.477 3.773 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000822228888 606745458 /nfs/dbraw/zinc/74/54/58/606745458.db2.gz HXICNUGFVKSCKO-CQSZACIVSA-N -1 3 394.454 3.749 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000822228888 606745460 /nfs/dbraw/zinc/74/54/60/606745460.db2.gz HXICNUGFVKSCKO-CQSZACIVSA-N -1 3 394.454 3.749 20 0 GHADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000820503237 606747720 /nfs/dbraw/zinc/74/77/20/606747720.db2.gz ZCEKUKZQRXLPFY-SSDOTTSWSA-N -1 3 382.729 3.855 20 0 GHADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000820503237 606747721 /nfs/dbraw/zinc/74/77/21/606747721.db2.gz ZCEKUKZQRXLPFY-SSDOTTSWSA-N -1 3 382.729 3.855 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000822217779 606770702 /nfs/dbraw/zinc/77/07/02/606770702.db2.gz NLHMGUNLYHOTTO-MRXNPFEDSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000822217779 606770704 /nfs/dbraw/zinc/77/07/04/606770704.db2.gz NLHMGUNLYHOTTO-MRXNPFEDSA-N -1 3 378.436 3.599 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000822137156 606786265 /nfs/dbraw/zinc/78/62/65/606786265.db2.gz UWAHZNVCSBFECH-CQSZACIVSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000822137156 606786267 /nfs/dbraw/zinc/78/62/67/606786267.db2.gz UWAHZNVCSBFECH-CQSZACIVSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822231084 606807707 /nfs/dbraw/zinc/80/77/07/606807707.db2.gz ZGPCHFPFFKAIEB-OXQOHEQNSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCC2CCOCC2)cc1 ZINC000822146692 606830531 /nfs/dbraw/zinc/83/05/31/606830531.db2.gz YVZGDCIDKFYRMP-UHFFFAOYSA-N -1 3 394.431 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCC2CCOCC2)cc1 ZINC000822146692 606830533 /nfs/dbraw/zinc/83/05/33/606830533.db2.gz YVZGDCIDKFYRMP-UHFFFAOYSA-N -1 3 394.431 3.551 20 0 GHADHM c1cn(Cc2ccccc2)c(SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000823786661 606836689 /nfs/dbraw/zinc/83/66/89/606836689.db2.gz ANBQXGQLYGHCFA-UHFFFAOYSA-N -1 3 392.488 3.673 20 0 GHADHM c1cn(Cc2ccccc2)c(SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823786661 606836691 /nfs/dbraw/zinc/83/66/91/606836691.db2.gz ANBQXGQLYGHCFA-UHFFFAOYSA-N -1 3 392.488 3.673 20 0 GHADHM O[C@@H](CSc1nccn1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823699318 606848080 /nfs/dbraw/zinc/84/80/80/606848080.db2.gz UOTLDDCUWOZENP-INIZCTEOSA-N -1 3 398.879 3.532 20 0 GHADHM O[C@@H](CSc1nccn1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823699318 606848082 /nfs/dbraw/zinc/84/80/82/606848082.db2.gz UOTLDDCUWOZENP-INIZCTEOSA-N -1 3 398.879 3.532 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000819834636 606849030 /nfs/dbraw/zinc/84/90/30/606849030.db2.gz PTLQIGPIUWWNKE-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000819834636 606849032 /nfs/dbraw/zinc/84/90/32/606849032.db2.gz PTLQIGPIUWWNKE-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1noc(Cc2ccccc2)n1 ZINC000822562651 606851518 /nfs/dbraw/zinc/85/15/18/606851518.db2.gz CKAKFKHDSROWAT-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1noc(Cc2ccccc2)n1 ZINC000822562651 606851520 /nfs/dbraw/zinc/85/15/20/606851520.db2.gz CKAKFKHDSROWAT-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM O=C(NC1CC1)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823144808 606852410 /nfs/dbraw/zinc/85/24/10/606852410.db2.gz MIUVOYILCCHTFD-INIZCTEOSA-N -1 3 385.880 3.632 20 0 GHADHM O=C(NC1CC1)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823144808 606852411 /nfs/dbraw/zinc/85/24/11/606852411.db2.gz MIUVOYILCCHTFD-INIZCTEOSA-N -1 3 385.880 3.632 20 0 GHADHM CC1(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCCC1 ZINC000820618928 606871021 /nfs/dbraw/zinc/87/10/21/606871021.db2.gz SXAKONHWDXWCNV-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM CC1(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCCCC1 ZINC000820618928 606871024 /nfs/dbraw/zinc/87/10/24/606871024.db2.gz SXAKONHWDXWCNV-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM CC(C)(C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819922807 606907404 /nfs/dbraw/zinc/90/74/04/606907404.db2.gz QOINCCMKWUEQFL-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819922807 606907406 /nfs/dbraw/zinc/90/74/06/606907406.db2.gz QOINCCMKWUEQFL-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823144179 606954097 /nfs/dbraw/zinc/95/40/97/606954097.db2.gz CCVUZULRQPIALU-MRXNPFEDSA-N -1 3 384.390 3.528 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C(C)(C)C)C3)O1 ZINC000820678576 606957074 /nfs/dbraw/zinc/95/70/74/606957074.db2.gz WCRATMPPZINNHN-MDZLAQPJSA-N -1 3 389.525 3.585 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C(C)(C)C)C3)O1 ZINC000820678576 606957077 /nfs/dbraw/zinc/95/70/77/606957077.db2.gz WCRATMPPZINNHN-MDZLAQPJSA-N -1 3 389.525 3.585 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820950936 606957580 /nfs/dbraw/zinc/95/75/80/606957580.db2.gz SSDZOWOVTCKUOJ-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820950936 606957581 /nfs/dbraw/zinc/95/75/81/606957581.db2.gz SSDZOWOVTCKUOJ-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820678883 606958488 /nfs/dbraw/zinc/95/84/88/606958488.db2.gz ZWNALGOCPUZRBX-FZKQIMNGSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820678883 606958490 /nfs/dbraw/zinc/95/84/90/606958490.db2.gz ZWNALGOCPUZRBX-FZKQIMNGSA-N -1 3 397.866 3.621 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569564 606960688 /nfs/dbraw/zinc/96/06/88/606960688.db2.gz OJJSDUCZTNLRHG-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569564 606960689 /nfs/dbraw/zinc/96/06/89/606960689.db2.gz OJJSDUCZTNLRHG-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM COc1ccc2oc(C)c(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c2c1 ZINC000821854185 606963278 /nfs/dbraw/zinc/96/32/78/606963278.db2.gz HORATLASWSSXMI-UHFFFAOYSA-N -1 3 397.822 3.860 20 0 GHADHM COc1ccc2oc(C)c(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c2c1 ZINC000821854185 606963279 /nfs/dbraw/zinc/96/32/79/606963279.db2.gz HORATLASWSSXMI-UHFFFAOYSA-N -1 3 397.822 3.860 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820353038 606984996 /nfs/dbraw/zinc/98/49/96/606984996.db2.gz XHQNOKJSCVMJCI-RYUDHWBXSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820353038 606984997 /nfs/dbraw/zinc/98/49/97/606984997.db2.gz XHQNOKJSCVMJCI-RYUDHWBXSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000820313124 606993651 /nfs/dbraw/zinc/99/36/51/606993651.db2.gz ASBRSDPJUNRPPW-SNVBAGLBSA-N -1 3 391.884 3.616 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000820313124 606993652 /nfs/dbraw/zinc/99/36/52/606993652.db2.gz ASBRSDPJUNRPPW-SNVBAGLBSA-N -1 3 391.884 3.616 20 0 GHADHM CC(C)Cn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000820108730 607005216 /nfs/dbraw/zinc/00/52/16/607005216.db2.gz PZXUBCFQUSHMTG-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM CC(C)Cn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000820108730 607005218 /nfs/dbraw/zinc/00/52/18/607005218.db2.gz PZXUBCFQUSHMTG-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM CCC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000821020876 607020171 /nfs/dbraw/zinc/02/01/71/607020171.db2.gz IVUDYDDHVITOIR-OAHLLOKOSA-N -1 3 393.344 3.694 20 0 GHADHM CCC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000821020876 607020172 /nfs/dbraw/zinc/02/01/72/607020172.db2.gz IVUDYDDHVITOIR-OAHLLOKOSA-N -1 3 393.344 3.694 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822202106 607023299 /nfs/dbraw/zinc/02/32/99/607023299.db2.gz LDNOQWNNHFQPFX-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822202106 607023300 /nfs/dbraw/zinc/02/33/00/607023300.db2.gz LDNOQWNNHFQPFX-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1ccc(-c2noc(CSCc3cc(F)ccc3-c3nnn[n-]3)n2)cc1 ZINC000822224091 607033476 /nfs/dbraw/zinc/03/34/76/607033476.db2.gz VZSMEEZCBCNEJM-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(-c2noc(CSCc3cc(F)ccc3-c3nn[n-]n3)n2)cc1 ZINC000822224091 607033477 /nfs/dbraw/zinc/03/34/77/607033477.db2.gz VZSMEEZCBCNEJM-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)cc1C ZINC000822214950 607038108 /nfs/dbraw/zinc/03/81/08/607038108.db2.gz FVFRIWLAXHCUTD-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)cc1C ZINC000822214950 607038109 /nfs/dbraw/zinc/03/81/09/607038109.db2.gz FVFRIWLAXHCUTD-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc3sc4ccccc4n23)c1 ZINC000822758673 607038862 /nfs/dbraw/zinc/03/88/62/607038862.db2.gz VQSCIQRTWNDEOR-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc3sc4ccccc4n23)c1 ZINC000822758673 607038864 /nfs/dbraw/zinc/03/88/64/607038864.db2.gz VQSCIQRTWNDEOR-UHFFFAOYSA-N -1 3 383.437 3.556 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)c(C)c1 ZINC000822215296 607039795 /nfs/dbraw/zinc/03/97/95/607039795.db2.gz UXMZKERZRTWHDG-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)c(C)c1 ZINC000822215296 607039797 /nfs/dbraw/zinc/03/97/97/607039797.db2.gz UXMZKERZRTWHDG-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000821119428 607041076 /nfs/dbraw/zinc/04/10/76/607041076.db2.gz ZFBMMPOFQDSWND-NTMALXAHSA-N -1 3 399.458 3.889 20 0 GHADHM Brc1ccc(Oc2ccnc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000819689103 607045687 /nfs/dbraw/zinc/04/56/87/607045687.db2.gz URCXMDKHLYHETD-UHFFFAOYSA-N -1 3 395.220 3.879 20 0 GHADHM Brc1ccc(Oc2ccnc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000819689103 607045688 /nfs/dbraw/zinc/04/56/88/607045688.db2.gz URCXMDKHLYHETD-UHFFFAOYSA-N -1 3 395.220 3.879 20 0 GHADHM CC(C)CN(Cc1csc(N(C)C2CC2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820093059 607067979 /nfs/dbraw/zinc/06/79/79/607067979.db2.gz SIOJPDRWABTCGP-UHFFFAOYSA-N -1 3 397.552 3.580 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1Oc1cccnc1 ZINC000823417430 607081615 /nfs/dbraw/zinc/08/16/15/607081615.db2.gz AGLIPFKIYLYMFB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1Oc1cccnc1 ZINC000823417430 607081617 /nfs/dbraw/zinc/08/16/17/607081617.db2.gz AGLIPFKIYLYMFB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820206739 607116957 /nfs/dbraw/zinc/11/69/57/607116957.db2.gz YJUFBTXABRFNOT-UHFFFAOYSA-N -1 3 394.870 3.836 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820206739 607116958 /nfs/dbraw/zinc/11/69/58/607116958.db2.gz YJUFBTXABRFNOT-UHFFFAOYSA-N -1 3 394.870 3.836 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1-n1cccn1 ZINC000820451075 607118511 /nfs/dbraw/zinc/11/85/11/607118511.db2.gz SJRRPTSKJUKMBI-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1-n1cccn1 ZINC000820451075 607118513 /nfs/dbraw/zinc/11/85/13/607118513.db2.gz SJRRPTSKJUKMBI-CQSZACIVSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Oc3ccc(-c4nnn[n-]4)cc3F)o2)cc1C ZINC000822214116 607134630 /nfs/dbraw/zinc/13/46/30/607134630.db2.gz QAVWHCNJLFYSLS-GFCCVEGCSA-N -1 3 380.383 3.813 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3F)o2)cc1C ZINC000822214116 607134631 /nfs/dbraw/zinc/13/46/31/607134631.db2.gz QAVWHCNJLFYSLS-GFCCVEGCSA-N -1 3 380.383 3.813 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000821702561 607147024 /nfs/dbraw/zinc/14/70/24/607147024.db2.gz YBGQKDMIDNUASF-UHFFFAOYSA-N -1 3 391.309 3.614 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000821702561 607147026 /nfs/dbraw/zinc/14/70/26/607147026.db2.gz YBGQKDMIDNUASF-UHFFFAOYSA-N -1 3 391.309 3.614 20 0 GHADHM Cc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(F)cc2C)nn1C ZINC000822205624 607147273 /nfs/dbraw/zinc/14/72/73/607147273.db2.gz AZDWOVTVIORUDO-UHFFFAOYSA-N -1 3 391.454 3.563 20 0 GHADHM Cc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2C)nn1C ZINC000822205624 607147275 /nfs/dbraw/zinc/14/72/75/607147275.db2.gz AZDWOVTVIORUDO-UHFFFAOYSA-N -1 3 391.454 3.563 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000821686336 607158245 /nfs/dbraw/zinc/15/82/45/607158245.db2.gz LHOFZTOGKHXMIN-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM COCCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000821686336 607158246 /nfs/dbraw/zinc/15/82/46/607158246.db2.gz LHOFZTOGKHXMIN-UHFFFAOYSA-N -1 3 393.447 3.804 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2cccc(Br)c2)n1 ZINC000822427359 607161519 /nfs/dbraw/zinc/16/15/19/607161519.db2.gz KQWACLOLUKWZRB-SECBINFHSA-N -1 3 391.298 3.889 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822585592 607172170 /nfs/dbraw/zinc/17/21/70/607172170.db2.gz GLNTVHBMCDCUBV-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)ccc1Br ZINC000823318779 607191187 /nfs/dbraw/zinc/19/11/87/607191187.db2.gz KEJAVNARNATNGT-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)ccc1Br ZINC000823318779 607191188 /nfs/dbraw/zinc/19/11/88/607191188.db2.gz KEJAVNARNATNGT-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CC(C)N(CC(F)F)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820116848 607192493 /nfs/dbraw/zinc/19/24/93/607192493.db2.gz PXVRUKQMGCYKEY-UHFFFAOYSA-N -1 3 387.390 3.775 20 0 GHADHM CC(C)N(CC(F)F)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820116848 607192494 /nfs/dbraw/zinc/19/24/94/607192494.db2.gz PXVRUKQMGCYKEY-UHFFFAOYSA-N -1 3 387.390 3.775 20 0 GHADHM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821394608 607197298 /nfs/dbraw/zinc/19/72/98/607197298.db2.gz MPEHCSGKMBDCDW-UHFFFAOYSA-N -1 3 386.843 3.549 20 0 GHADHM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821394608 607197299 /nfs/dbraw/zinc/19/72/99/607197299.db2.gz MPEHCSGKMBDCDW-UHFFFAOYSA-N -1 3 386.843 3.549 20 0 GHADHM O=C(NCCCSc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823196969 607197655 /nfs/dbraw/zinc/19/76/55/607197655.db2.gz NONGQHZILBZTOS-UHFFFAOYSA-N -1 3 388.884 3.824 20 0 GHADHM O=C(NCCCSc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823196969 607197656 /nfs/dbraw/zinc/19/76/56/607197656.db2.gz NONGQHZILBZTOS-UHFFFAOYSA-N -1 3 388.884 3.824 20 0 GHADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)s1 ZINC000822389539 607197715 /nfs/dbraw/zinc/19/77/15/607197715.db2.gz ZTJMEEKZXYSCQP-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1cnc([C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)s1 ZINC000822389539 607197716 /nfs/dbraw/zinc/19/77/16/607197716.db2.gz ZTJMEEKZXYSCQP-ZDUSSCGKSA-N -1 3 389.872 3.558 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821891252 607199407 /nfs/dbraw/zinc/19/94/07/607199407.db2.gz YKDMSOXLKHHCTD-CYBMUJFWSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821891252 607199408 /nfs/dbraw/zinc/19/94/08/607199408.db2.gz YKDMSOXLKHHCTD-CYBMUJFWSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821782887 607200270 /nfs/dbraw/zinc/20/02/70/607200270.db2.gz RAQAEDVZCBEUTR-KRWDZBQOSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821782887 607200271 /nfs/dbraw/zinc/20/02/71/607200271.db2.gz RAQAEDVZCBEUTR-KRWDZBQOSA-N -1 3 398.854 3.898 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823314152 607203116 /nfs/dbraw/zinc/20/31/16/607203116.db2.gz MUIANHUQYMWTOW-ZDUSSCGKSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823314152 607203117 /nfs/dbraw/zinc/20/31/17/607203117.db2.gz MUIANHUQYMWTOW-ZDUSSCGKSA-N -1 3 386.818 3.681 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000821765400 607231661 /nfs/dbraw/zinc/23/16/61/607231661.db2.gz CJKVIQJOMWNICI-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-c2noc([C@H](C)Sc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000821765400 607231662 /nfs/dbraw/zinc/23/16/62/607231662.db2.gz CJKVIQJOMWNICI-NSHDSACASA-N -1 3 380.433 3.779 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000823308513 607236024 /nfs/dbraw/zinc/23/60/24/607236024.db2.gz CTJKRMPBXFNULO-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000823308513 607236025 /nfs/dbraw/zinc/23/60/25/607236025.db2.gz CTJKRMPBXFNULO-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823313879 607243223 /nfs/dbraw/zinc/24/32/23/607243223.db2.gz KXMIEOYMPYJNBW-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000823313879 607243224 /nfs/dbraw/zinc/24/32/24/607243224.db2.gz KXMIEOYMPYJNBW-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000822213878 607247000 /nfs/dbraw/zinc/24/70/00/607247000.db2.gz FFIFRBWQYWQWLL-UHFFFAOYSA-N -1 3 395.419 3.586 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000822213878 607247001 /nfs/dbraw/zinc/24/70/01/607247001.db2.gz FFIFRBWQYWQWLL-UHFFFAOYSA-N -1 3 395.419 3.586 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)s2)o1 ZINC000822214205 607250366 /nfs/dbraw/zinc/25/03/66/607250366.db2.gz UHLLDHTUCACINM-UHFFFAOYSA-N -1 3 385.380 3.558 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)s2)o1 ZINC000822214205 607250367 /nfs/dbraw/zinc/25/03/67/607250367.db2.gz UHLLDHTUCACINM-UHFFFAOYSA-N -1 3 385.380 3.558 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822935815 607250637 /nfs/dbraw/zinc/25/06/37/607250637.db2.gz OFUYAYQFYHVTAR-GFCCVEGCSA-N -1 3 380.301 3.647 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822935815 607250638 /nfs/dbraw/zinc/25/06/38/607250638.db2.gz OFUYAYQFYHVTAR-GFCCVEGCSA-N -1 3 380.301 3.647 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825128149 607782447 /nfs/dbraw/zinc/78/24/47/607782447.db2.gz RFBMGGDUPXZIHA-KRWDZBQOSA-N -1 3 396.520 3.579 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825128149 607782448 /nfs/dbraw/zinc/78/24/48/607782448.db2.gz RFBMGGDUPXZIHA-KRWDZBQOSA-N -1 3 396.520 3.579 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829381 607793251 /nfs/dbraw/zinc/79/32/51/607793251.db2.gz DJUGRCBUAAUECH-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829381 607793252 /nfs/dbraw/zinc/79/32/52/607793252.db2.gz DJUGRCBUAAUECH-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM Cc1ccc(Cl)cc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826289390 607793986 /nfs/dbraw/zinc/79/39/86/607793986.db2.gz YCDBFTNXLKUMKU-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM CC(C)C1CN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824223699 607808318 /nfs/dbraw/zinc/80/83/18/607808318.db2.gz KQELWMWEVOMIFS-UHFFFAOYSA-N -1 3 393.516 3.887 20 0 GHADHM CC(C)C1CN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824223699 607808319 /nfs/dbraw/zinc/80/83/19/607808319.db2.gz KQELWMWEVOMIFS-UHFFFAOYSA-N -1 3 393.516 3.887 20 0 GHADHM COc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826209420 607833354 /nfs/dbraw/zinc/83/33/54/607833354.db2.gz AXEVMGIQPIUPRZ-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM COc1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826209420 607833355 /nfs/dbraw/zinc/83/33/55/607833355.db2.gz AXEVMGIQPIUPRZ-UHFFFAOYSA-N -1 3 382.182 3.574 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824801997 607882513 /nfs/dbraw/zinc/88/25/13/607882513.db2.gz JEKVTDFUNAVKAK-KRWDZBQOSA-N -1 3 396.539 3.512 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824801997 607882514 /nfs/dbraw/zinc/88/25/14/607882514.db2.gz JEKVTDFUNAVKAK-KRWDZBQOSA-N -1 3 396.539 3.512 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826407980 607888660 /nfs/dbraw/zinc/88/86/60/607888660.db2.gz LAYDEONBFYBJFL-UHFFFAOYSA-N -1 3 392.390 3.942 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826407980 607888661 /nfs/dbraw/zinc/88/86/61/607888661.db2.gz LAYDEONBFYBJFL-UHFFFAOYSA-N -1 3 392.390 3.942 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650262 607902669 /nfs/dbraw/zinc/90/26/69/607902669.db2.gz QIWIBCWWYRKGNC-FLESLCNUSA-N -1 3 395.410 3.796 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000824650262 607902670 /nfs/dbraw/zinc/90/26/70/607902670.db2.gz QIWIBCWWYRKGNC-FLESLCNUSA-N -1 3 395.410 3.796 20 0 GHADHM CCC(=O)c1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000825034753 607934776 /nfs/dbraw/zinc/93/47/76/607934776.db2.gz ORHRMBRUUXGMSF-UHFFFAOYSA-N -1 3 395.438 3.649 20 0 GHADHM CCC(=O)c1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000825034753 607934777 /nfs/dbraw/zinc/93/47/77/607934777.db2.gz ORHRMBRUUXGMSF-UHFFFAOYSA-N -1 3 395.438 3.649 20 0 GHADHM CS[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826224333 607937576 /nfs/dbraw/zinc/93/75/76/607937576.db2.gz AHTKIXZJGKGYQV-CQSZACIVSA-N -1 3 397.504 3.834 20 0 GHADHM CS[C@H](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826224333 607937577 /nfs/dbraw/zinc/93/75/77/607937577.db2.gz AHTKIXZJGKGYQV-CQSZACIVSA-N -1 3 397.504 3.834 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826229315 607949191 /nfs/dbraw/zinc/94/91/91/607949191.db2.gz ZKSBOKAXIXJSNT-UHFFFAOYSA-N -1 3 391.456 3.679 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826229315 607949192 /nfs/dbraw/zinc/94/91/92/607949192.db2.gz ZKSBOKAXIXJSNT-UHFFFAOYSA-N -1 3 391.456 3.679 20 0 GHADHM Cn1cc(-c2ccccc2CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cn1 ZINC000826356119 607966799 /nfs/dbraw/zinc/96/67/99/607966799.db2.gz AWKJFIDKFVEJRM-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cn1cc(-c2ccccc2CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cn1 ZINC000826356119 607966800 /nfs/dbraw/zinc/96/68/00/607966800.db2.gz AWKJFIDKFVEJRM-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262046 607980332 /nfs/dbraw/zinc/98/03/32/607980332.db2.gz CLMQYAQXLWJJHL-ORAYPTAESA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262046 607980333 /nfs/dbraw/zinc/98/03/33/607980333.db2.gz CLMQYAQXLWJJHL-ORAYPTAESA-N -1 3 394.454 3.826 20 0 GHADHM c1ccc(COC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826521566 607989335 /nfs/dbraw/zinc/98/93/35/607989335.db2.gz QZILTKMLAWJPIN-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM c1ccc(COC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826521566 607989336 /nfs/dbraw/zinc/98/93/36/607989336.db2.gz QZILTKMLAWJPIN-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000825829611 608003903 /nfs/dbraw/zinc/00/39/03/608003903.db2.gz HFRUVBDNUZGVJH-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000825829611 608003904 /nfs/dbraw/zinc/00/39/04/608003904.db2.gz HFRUVBDNUZGVJH-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348061 608008131 /nfs/dbraw/zinc/00/81/31/608008131.db2.gz YHDIAMXHSANMRZ-FQEVSTJZSA-N -1 3 391.475 3.733 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348061 608008132 /nfs/dbraw/zinc/00/81/32/608008132.db2.gz YHDIAMXHSANMRZ-FQEVSTJZSA-N -1 3 391.475 3.733 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000824347866 608008367 /nfs/dbraw/zinc/00/83/67/608008367.db2.gz PXAUCAWXBNWYND-LJQANCHMSA-N -1 3 391.475 3.733 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000824347866 608008368 /nfs/dbraw/zinc/00/83/68/608008368.db2.gz PXAUCAWXBNWYND-LJQANCHMSA-N -1 3 391.475 3.733 20 0 GHADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccoc2)c1 ZINC000826459058 608028634 /nfs/dbraw/zinc/02/86/34/608028634.db2.gz SXNFPBWLPLEDFK-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000824763765 608104334 /nfs/dbraw/zinc/10/43/34/608104334.db2.gz PAZOAFGZXWLFRZ-LLVKDONJSA-N -1 3 397.485 3.700 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000824763765 608104335 /nfs/dbraw/zinc/10/43/35/608104335.db2.gz PAZOAFGZXWLFRZ-LLVKDONJSA-N -1 3 397.485 3.700 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000826277778 608105711 /nfs/dbraw/zinc/10/57/11/608105711.db2.gz GNKAZIJKMJXCFL-UHFFFAOYSA-N -1 3 384.390 3.654 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000826277778 608105712 /nfs/dbraw/zinc/10/57/12/608105712.db2.gz GNKAZIJKMJXCFL-UHFFFAOYSA-N -1 3 384.390 3.654 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000824324814 608114353 /nfs/dbraw/zinc/11/43/53/608114353.db2.gz WGZWMZQESQLOLC-NSHDSACASA-N -1 3 387.390 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000824324814 608114354 /nfs/dbraw/zinc/11/43/54/608114354.db2.gz WGZWMZQESQLOLC-NSHDSACASA-N -1 3 387.390 3.674 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000825314211 608116393 /nfs/dbraw/zinc/11/63/93/608116393.db2.gz YMYZLVSHHCKOEB-ZDUSSCGKSA-N -1 3 385.418 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000825314211 608116394 /nfs/dbraw/zinc/11/63/94/608116394.db2.gz YMYZLVSHHCKOEB-ZDUSSCGKSA-N -1 3 385.418 3.687 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000824077636 608131104 /nfs/dbraw/zinc/13/11/04/608131104.db2.gz CEJHNLSRHYCCTO-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000824077636 608131105 /nfs/dbraw/zinc/13/11/05/608131105.db2.gz CEJHNLSRHYCCTO-AWEZNQCLSA-N -1 3 395.463 3.547 20 0 GHADHM O=C(CCCC(F)(F)F)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826405339 608152649 /nfs/dbraw/zinc/15/26/49/608152649.db2.gz BZBLGXSCZVVEEY-UHFFFAOYSA-N -1 3 379.342 3.726 20 0 GHADHM O=C(CCCC(F)(F)F)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826405339 608152650 /nfs/dbraw/zinc/15/26/50/608152650.db2.gz BZBLGXSCZVVEEY-UHFFFAOYSA-N -1 3 379.342 3.726 20 0 GHADHM COc1ccc(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826196513 608164648 /nfs/dbraw/zinc/16/46/48/608164648.db2.gz FCJQNGWVILCTFQ-SNAWJCMRSA-N -1 3 391.475 3.718 20 0 GHADHM COc1ccc(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826196513 608164649 /nfs/dbraw/zinc/16/46/49/608164649.db2.gz FCJQNGWVILCTFQ-SNAWJCMRSA-N -1 3 391.475 3.718 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723648 608182544 /nfs/dbraw/zinc/18/25/44/608182544.db2.gz TVPDZMNNQVUTRX-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723648 608182546 /nfs/dbraw/zinc/18/25/46/608182546.db2.gz TVPDZMNNQVUTRX-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM CCCCC[C@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)C(C)C ZINC000825268605 608189720 /nfs/dbraw/zinc/18/97/20/608189720.db2.gz WADKVHKPBBYAAO-KRWDZBQOSA-N -1 3 395.511 3.726 20 0 GHADHM CCCCC[C@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)C(C)C ZINC000825268605 608189722 /nfs/dbraw/zinc/18/97/22/608189722.db2.gz WADKVHKPBBYAAO-KRWDZBQOSA-N -1 3 395.511 3.726 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC000824929769 608205526 /nfs/dbraw/zinc/20/55/26/608205526.db2.gz YQHKXAWZHPYZKE-WZRBSPASSA-N -1 3 379.917 3.553 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC000824929769 608205528 /nfs/dbraw/zinc/20/55/28/608205528.db2.gz YQHKXAWZHPYZKE-WZRBSPASSA-N -1 3 379.917 3.553 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cn1 ZINC000824757264 608206894 /nfs/dbraw/zinc/20/68/94/608206894.db2.gz VEUHUECEVASBPJ-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cn1 ZINC000824757264 608206896 /nfs/dbraw/zinc/20/68/96/608206896.db2.gz VEUHUECEVASBPJ-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000824876545 608207108 /nfs/dbraw/zinc/20/71/08/608207108.db2.gz SYQPLTSQYVNJIK-GRYCIOLGSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000824876545 608207110 /nfs/dbraw/zinc/20/71/10/608207110.db2.gz SYQPLTSQYVNJIK-GRYCIOLGSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000825000746 608230241 /nfs/dbraw/zinc/23/02/41/608230241.db2.gz UFZFCUHBXKSBBY-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000825000746 608230244 /nfs/dbraw/zinc/23/02/44/608230244.db2.gz UFZFCUHBXKSBBY-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825194393 608260175 /nfs/dbraw/zinc/26/01/75/608260175.db2.gz QILGCDGXRRMOQY-CJNGLKHVSA-N -1 3 393.451 3.849 20 0 GHADHM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825194393 608260177 /nfs/dbraw/zinc/26/01/77/608260177.db2.gz QILGCDGXRRMOQY-CJNGLKHVSA-N -1 3 393.451 3.849 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(SC[C@H](C)CO)n2)o1 ZINC000826273346 608265305 /nfs/dbraw/zinc/26/53/05/608265305.db2.gz ZTLAYRKADTWZKS-MRVPVSSYSA-N -1 3 399.398 3.569 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826168032 608267205 /nfs/dbraw/zinc/26/72/05/608267205.db2.gz ZUYOLPNKQUJGGL-HWKANZROSA-N -1 3 395.806 3.629 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000826168032 608267207 /nfs/dbraw/zinc/26/72/07/608267207.db2.gz ZUYOLPNKQUJGGL-HWKANZROSA-N -1 3 395.806 3.629 20 0 GHADHM Cc1scc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1C ZINC000826350041 608295649 /nfs/dbraw/zinc/29/56/49/608295649.db2.gz FWMVQKHSUAKVME-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368583 608296326 /nfs/dbraw/zinc/29/63/26/608296326.db2.gz VHTGOVJDAIYUCQ-QWHCGFSZSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368583 608296328 /nfs/dbraw/zinc/29/63/28/608296328.db2.gz VHTGOVJDAIYUCQ-QWHCGFSZSA-N -1 3 381.402 3.529 20 0 GHADHM c1ccc(-c2cccc(CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)c2)nc1 ZINC000826519054 608300965 /nfs/dbraw/zinc/30/09/65/608300965.db2.gz ICQUCSLCBCNDAC-UHFFFAOYSA-N -1 3 383.459 3.815 20 0 GHADHM c1ccc(-c2cccc(CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)c2)nc1 ZINC000826519054 608300966 /nfs/dbraw/zinc/30/09/66/608300966.db2.gz ICQUCSLCBCNDAC-UHFFFAOYSA-N -1 3 383.459 3.815 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824047127 608308460 /nfs/dbraw/zinc/30/84/60/608308460.db2.gz XVGLGTNQKVWNAL-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824047127 608308462 /nfs/dbraw/zinc/30/84/62/608308462.db2.gz XVGLGTNQKVWNAL-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1OCC(F)(F)F ZINC000826170645 608320623 /nfs/dbraw/zinc/32/06/23/608320623.db2.gz JKPABLMJWGBRIZ-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1OCC(F)(F)F ZINC000826170645 608320625 /nfs/dbraw/zinc/32/06/25/608320625.db2.gz JKPABLMJWGBRIZ-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM Cc1scc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1C ZINC000826350026 608339555 /nfs/dbraw/zinc/33/95/55/608339555.db2.gz FIQOBLAJLODAEJ-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1scc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1C ZINC000826350026 608339556 /nfs/dbraw/zinc/33/95/56/608339556.db2.gz FIQOBLAJLODAEJ-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000826290800 608339840 /nfs/dbraw/zinc/33/98/40/608339840.db2.gz AJXXVPXZGLIOBR-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000826290800 608339842 /nfs/dbraw/zinc/33/98/42/608339842.db2.gz AJXXVPXZGLIOBR-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM CS[C@H](C)CCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826225870 608340598 /nfs/dbraw/zinc/34/05/98/608340598.db2.gz MQEYBOZGDPNJRA-OAHLLOKOSA-N -1 3 381.505 3.932 20 0 GHADHM CS[C@H](C)CCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826225870 608340599 /nfs/dbraw/zinc/34/05/99/608340599.db2.gz MQEYBOZGDPNJRA-OAHLLOKOSA-N -1 3 381.505 3.932 20 0 GHADHM CCN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390967 608346164 /nfs/dbraw/zinc/34/61/64/608346164.db2.gz QVJKTMNZYMDGHX-UHFFFAOYSA-N -1 3 384.852 3.797 20 0 GHADHM CCN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390967 608346166 /nfs/dbraw/zinc/34/61/66/608346166.db2.gz QVJKTMNZYMDGHX-UHFFFAOYSA-N -1 3 384.852 3.797 20 0 GHADHM CN(Cc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825980671 608356640 /nfs/dbraw/zinc/35/66/40/608356640.db2.gz FZGADYURKRKNPR-UHFFFAOYSA-N -1 3 398.470 3.875 20 0 GHADHM CN(Cc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825980671 608356641 /nfs/dbraw/zinc/35/66/41/608356641.db2.gz FZGADYURKRKNPR-UHFFFAOYSA-N -1 3 398.470 3.875 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(Br)c(F)c1 ZINC000826184097 608389232 /nfs/dbraw/zinc/38/92/32/608389232.db2.gz KWXJOHFCRKZLBR-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(Br)c(F)c1 ZINC000826184097 608389234 /nfs/dbraw/zinc/38/92/34/608389234.db2.gz KWXJOHFCRKZLBR-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000824010705 608391704 /nfs/dbraw/zinc/39/17/04/608391704.db2.gz QTJOHMDTYBNCGI-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000824010705 608391706 /nfs/dbraw/zinc/39/17/06/608391706.db2.gz QTJOHMDTYBNCGI-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM COc1cccc(C=C2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c1 ZINC000826215157 608401476 /nfs/dbraw/zinc/40/14/76/608401476.db2.gz IBOJNXVHVFIFTD-UHFFFAOYSA-N -1 3 379.439 3.694 20 0 GHADHM COc1cccc(C=C2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)c1 ZINC000826215157 608401477 /nfs/dbraw/zinc/40/14/77/608401477.db2.gz IBOJNXVHVFIFTD-UHFFFAOYSA-N -1 3 379.439 3.694 20 0 GHADHM C[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1cc(Cl)ccc1Cl ZINC000824562859 608434404 /nfs/dbraw/zinc/43/44/04/608434404.db2.gz KHSHTBOFXCUVGJ-MRVPVSSYSA-N -1 3 397.291 3.524 20 0 GHADHM C[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)c1cc(Cl)ccc1Cl ZINC000824562859 608434406 /nfs/dbraw/zinc/43/44/06/608434406.db2.gz KHSHTBOFXCUVGJ-MRVPVSSYSA-N -1 3 397.291 3.524 20 0 GHADHM O=C(NOC1CCCC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826449888 608434633 /nfs/dbraw/zinc/43/46/33/608434633.db2.gz NPQYVQZGZJVVGW-UHFFFAOYSA-N -1 3 381.461 3.622 20 0 GHADHM O=C(NOC1CCCC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826449888 608434636 /nfs/dbraw/zinc/43/46/36/608434636.db2.gz NPQYVQZGZJVVGW-UHFFFAOYSA-N -1 3 381.461 3.622 20 0 GHADHM CCc1cc2c(ncnc2N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000825700712 608441548 /nfs/dbraw/zinc/44/15/48/608441548.db2.gz QFDAGEFSWRTODM-UHFFFAOYSA-N -1 3 389.488 3.728 20 0 GHADHM CCc1cc2c(ncnc2N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000825700712 608441549 /nfs/dbraw/zinc/44/15/49/608441549.db2.gz QFDAGEFSWRTODM-UHFFFAOYSA-N -1 3 389.488 3.728 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000826466084 608447086 /nfs/dbraw/zinc/44/70/86/608447086.db2.gz OKUYPSVKCKLHSM-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000826466084 608447088 /nfs/dbraw/zinc/44/70/88/608447088.db2.gz OKUYPSVKCKLHSM-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824448088 608452892 /nfs/dbraw/zinc/45/28/92/608452892.db2.gz FPDPQYQQBMOWAR-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824448088 608452893 /nfs/dbraw/zinc/45/28/93/608452893.db2.gz FPDPQYQQBMOWAR-CYBMUJFWSA-N -1 3 386.452 3.619 20 0 GHADHM CC[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(OC)cc1 ZINC000825081426 608453098 /nfs/dbraw/zinc/45/30/98/608453098.db2.gz IWKRTEIFWDZEOY-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(OC)cc1 ZINC000825081426 608453099 /nfs/dbraw/zinc/45/30/99/608453099.db2.gz IWKRTEIFWDZEOY-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM c1coc(-c2nc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cs2)c1 ZINC000823867788 608459234 /nfs/dbraw/zinc/45/92/34/608459234.db2.gz ICNVAVFPEKKVIE-UHFFFAOYSA-N -1 3 390.472 3.873 20 0 GHADHM CCO[C@@H](C)c1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000825577775 608466006 /nfs/dbraw/zinc/46/60/06/608466006.db2.gz ZXUVTSIJGSCTSH-AWEZNQCLSA-N -1 3 396.520 3.710 20 0 GHADHM CCO[C@@H](C)c1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000825577775 608466008 /nfs/dbraw/zinc/46/60/08/608466008.db2.gz ZXUVTSIJGSCTSH-AWEZNQCLSA-N -1 3 396.520 3.710 20 0 GHADHM Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826290896 608469071 /nfs/dbraw/zinc/46/90/71/608469071.db2.gz FXFSHGWOEKHMSY-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826290896 608469073 /nfs/dbraw/zinc/46/90/73/608469073.db2.gz FXFSHGWOEKHMSY-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cccc(C2(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)CCC2)c1 ZINC000826296661 608478837 /nfs/dbraw/zinc/47/88/37/608478837.db2.gz FCMIMDYEMZRKAZ-UHFFFAOYSA-N -1 3 399.498 3.913 20 0 GHADHM Cc1cccc(C2(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)CCC2)c1 ZINC000826296661 608478839 /nfs/dbraw/zinc/47/88/39/608478839.db2.gz FCMIMDYEMZRKAZ-UHFFFAOYSA-N -1 3 399.498 3.913 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826425827 608479088 /nfs/dbraw/zinc/47/90/88/608479088.db2.gz VQKXUJDKWAGRLW-UHFFFAOYSA-N -1 3 389.503 3.699 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826425827 608479090 /nfs/dbraw/zinc/47/90/90/608479090.db2.gz VQKXUJDKWAGRLW-UHFFFAOYSA-N -1 3 389.503 3.699 20 0 GHADHM Cc1ccc(CCCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826287477 608485082 /nfs/dbraw/zinc/48/50/82/608485082.db2.gz QDGVUJFDHBWPOD-UHFFFAOYSA-N -1 3 393.516 3.875 20 0 GHADHM Cc1ccc(CCCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826287477 608485083 /nfs/dbraw/zinc/48/50/83/608485083.db2.gz QDGVUJFDHBWPOD-UHFFFAOYSA-N -1 3 393.516 3.875 20 0 GHADHM O=C(c1ccc(-c2ccccc2)[nH]1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470925 608489378 /nfs/dbraw/zinc/48/93/78/608489378.db2.gz IKJDQZDHOXSMGI-UHFFFAOYSA-N -1 3 396.454 3.791 20 0 GHADHM O=C(c1ccc(-c2ccccc2)[nH]1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470925 608489379 /nfs/dbraw/zinc/48/93/79/608489379.db2.gz IKJDQZDHOXSMGI-UHFFFAOYSA-N -1 3 396.454 3.791 20 0 GHADHM C[C@H](c1ccccc1Cl)N(Cc1cnc2ccc(-c3nnn[n-]3)cn12)C1CC1 ZINC000824769853 608518235 /nfs/dbraw/zinc/51/82/35/608518235.db2.gz CFZYESCHYSBPPX-CYBMUJFWSA-N -1 3 393.882 3.893 20 0 GHADHM C[C@H](c1ccccc1Cl)N(Cc1cnc2ccc(-c3nn[n-]n3)cn12)C1CC1 ZINC000824769853 608518238 /nfs/dbraw/zinc/51/82/38/608518238.db2.gz CFZYESCHYSBPPX-CYBMUJFWSA-N -1 3 393.882 3.893 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(F)cc1Cl ZINC000824633248 608535210 /nfs/dbraw/zinc/53/52/10/608535210.db2.gz JAGOWMIMOFLLBI-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(F)cc1Cl ZINC000824633248 608535211 /nfs/dbraw/zinc/53/52/11/608535211.db2.gz JAGOWMIMOFLLBI-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826324189 608546418 /nfs/dbraw/zinc/54/64/18/608546418.db2.gz HZUQLRXWATUEEI-UHFFFAOYSA-N -1 3 382.493 3.956 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826324189 608546420 /nfs/dbraw/zinc/54/64/20/608546420.db2.gz HZUQLRXWATUEEI-UHFFFAOYSA-N -1 3 382.493 3.956 20 0 GHADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427374 608574331 /nfs/dbraw/zinc/57/43/31/608574331.db2.gz NQHCGLCRMMOPQY-QGZVFWFLSA-N -1 3 379.807 3.633 20 0 GHADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427374 608574333 /nfs/dbraw/zinc/57/43/33/608574333.db2.gz NQHCGLCRMMOPQY-QGZVFWFLSA-N -1 3 379.807 3.633 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(Cl)c1F ZINC000825318505 608575038 /nfs/dbraw/zinc/57/50/38/608575038.db2.gz OEUHKNNMXBCHRI-UHFFFAOYSA-N -1 3 391.809 3.851 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(Cl)c1F ZINC000825318505 608575040 /nfs/dbraw/zinc/57/50/40/608575040.db2.gz OEUHKNNMXBCHRI-UHFFFAOYSA-N -1 3 391.809 3.851 20 0 GHADHM CC(C)CN(C(=O)CCc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249926 608584034 /nfs/dbraw/zinc/58/40/34/608584034.db2.gz YAQVQTBYOBXBAJ-UHFFFAOYSA-N -1 3 388.475 3.970 20 0 GHADHM CC(C)CN(C(=O)CCc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249926 608584036 /nfs/dbraw/zinc/58/40/36/608584036.db2.gz YAQVQTBYOBXBAJ-UHFFFAOYSA-N -1 3 388.475 3.970 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000824813274 608696524 /nfs/dbraw/zinc/69/65/24/608696524.db2.gz XEWDMYPTXOEOGB-INIZCTEOSA-N -1 3 389.912 3.934 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000824813274 608696525 /nfs/dbraw/zinc/69/65/25/608696525.db2.gz XEWDMYPTXOEOGB-INIZCTEOSA-N -1 3 389.912 3.934 20 0 GHADHM CCCn1c2ccccc2nc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825356726 608856868 /nfs/dbraw/zinc/85/68/68/608856868.db2.gz GMCRBXZFGSIQRH-UHFFFAOYSA-N -1 3 399.502 3.916 20 0 GHADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826231045 609141733 /nfs/dbraw/zinc/14/17/33/609141733.db2.gz UVORULFGFWPAQY-UHFFFAOYSA-N -1 3 385.518 3.710 20 0 GHADHM CSc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826231045 609141735 /nfs/dbraw/zinc/14/17/35/609141735.db2.gz UVORULFGFWPAQY-UHFFFAOYSA-N -1 3 385.518 3.710 20 0 GHADHM C[C@H](NCc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611607 609142908 /nfs/dbraw/zinc/14/29/08/609142908.db2.gz CJKPCFQAENZBQC-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C(=C/[C@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)\c1ccccc1 ZINC000823862168 609149684 /nfs/dbraw/zinc/14/96/84/609149684.db2.gz ZHKOEZOQLDENLD-TZZQJPOUSA-N -1 3 399.458 3.595 20 0 GHADHM c1ccc(-c2cncc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000823867993 609163844 /nfs/dbraw/zinc/16/38/44/609163844.db2.gz MFEDQBUSDAAENK-UHFFFAOYSA-N -1 3 381.443 3.617 20 0 GHADHM c1ccc(-c2cncc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000823867993 609163846 /nfs/dbraw/zinc/16/38/46/609163846.db2.gz MFEDQBUSDAAENK-UHFFFAOYSA-N -1 3 381.443 3.617 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826283275 609166294 /nfs/dbraw/zinc/16/62/94/609166294.db2.gz NUGVMXAABOTSQX-AWEZNQCLSA-N -1 3 390.447 3.918 20 0 GHADHM Cc1ccc([C@H](C)C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826283275 609166296 /nfs/dbraw/zinc/16/62/96/609166296.db2.gz NUGVMXAABOTSQX-AWEZNQCLSA-N -1 3 390.447 3.918 20 0 GHADHM c1nc2ccccn2c1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826519059 609177391 /nfs/dbraw/zinc/17/73/91/609177391.db2.gz IGDXRVHTINCMCT-UHFFFAOYSA-N -1 3 385.456 3.869 20 0 GHADHM c1nc2ccccn2c1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826519059 609177393 /nfs/dbraw/zinc/17/73/93/609177393.db2.gz IGDXRVHTINCMCT-UHFFFAOYSA-N -1 3 385.456 3.869 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccc(OC)cc2)o1 ZINC000825481350 609179371 /nfs/dbraw/zinc/17/93/71/609179371.db2.gz XMWHUBXUDMMPEW-UHFFFAOYSA-N -1 3 391.435 3.574 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825296301 609190699 /nfs/dbraw/zinc/19/06/99/609190699.db2.gz CJIJCDJRLXWQHJ-UHFFFAOYSA-N -1 3 378.436 3.556 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825296301 609190701 /nfs/dbraw/zinc/19/07/01/609190701.db2.gz CJIJCDJRLXWQHJ-UHFFFAOYSA-N -1 3 378.436 3.556 20 0 GHADHM Cc1cnc([C@@H](C)NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000826317744 609201197 /nfs/dbraw/zinc/20/11/97/609201197.db2.gz MJHNQEBOADYNTI-OAHLLOKOSA-N -1 3 390.447 3.593 20 0 GHADHM Cc1cnc([C@@H](C)NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000826317744 609201198 /nfs/dbraw/zinc/20/11/98/609201198.db2.gz MJHNQEBOADYNTI-OAHLLOKOSA-N -1 3 390.447 3.593 20 0 GHADHM C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657218 609236858 /nfs/dbraw/zinc/23/68/58/609236858.db2.gz PSUCXFCGGODTBR-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657218 609236859 /nfs/dbraw/zinc/23/68/59/609236859.db2.gz PSUCXFCGGODTBR-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826472918 609268234 /nfs/dbraw/zinc/26/82/34/609268234.db2.gz CFPKZOKIAXKMRG-YHWKNFMLSA-N -1 3 379.851 3.838 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826472918 609268235 /nfs/dbraw/zinc/26/82/35/609268235.db2.gz CFPKZOKIAXKMRG-YHWKNFMLSA-N -1 3 379.851 3.838 20 0 GHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1N1CCOC1=O ZINC000826291657 609271304 /nfs/dbraw/zinc/27/13/04/609271304.db2.gz PKYIVYYUTCGMCW-SFHVURJKSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1N1CCOC1=O ZINC000826291657 609271306 /nfs/dbraw/zinc/27/13/06/609271306.db2.gz PKYIVYYUTCGMCW-SFHVURJKSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1nc2cc(NC(=O)CSCc3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826328002 609287757 /nfs/dbraw/zinc/28/77/57/609287757.db2.gz CEXNQZVRNVOVIX-UHFFFAOYSA-N -1 3 396.501 3.657 20 0 GHADHM Cc1nc2cc(NC(=O)CSCc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826328002 609287758 /nfs/dbraw/zinc/28/77/58/609287758.db2.gz CEXNQZVRNVOVIX-UHFFFAOYSA-N -1 3 396.501 3.657 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(Oc2cccnc2)c1 ZINC000826185108 609329417 /nfs/dbraw/zinc/32/94/17/609329417.db2.gz YTDGIIGXIXPJTI-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(Oc2cccnc2)c1 ZINC000826172869 609329438 /nfs/dbraw/zinc/32/94/38/609329438.db2.gz BKAANLFWFKQJDN-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(Oc2cccnc2)c1 ZINC000826172869 609329440 /nfs/dbraw/zinc/32/94/40/609329440.db2.gz BKAANLFWFKQJDN-UHFFFAOYSA-N -1 3 375.388 3.642 20 0 GHADHM Cc1cc(Cl)ncc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826267855 609329607 /nfs/dbraw/zinc/32/96/07/609329607.db2.gz ZVNDSCPZROKPPO-UHFFFAOYSA-N -1 3 380.633 3.565 20 0 GHADHM Cc1cc(Cl)ncc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826267855 609329609 /nfs/dbraw/zinc/32/96/09/609329609.db2.gz ZVNDSCPZROKPPO-UHFFFAOYSA-N -1 3 380.633 3.565 20 0 GHADHM CCCOc1ccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825342841 609344780 /nfs/dbraw/zinc/34/47/80/609344780.db2.gz XBOXVAVBGSGWMG-UHFFFAOYSA-N -1 3 389.463 3.668 20 0 GHADHM CCCOc1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825342841 609344782 /nfs/dbraw/zinc/34/47/82/609344782.db2.gz XBOXVAVBGSGWMG-UHFFFAOYSA-N -1 3 389.463 3.668 20 0 GHADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824647661 609347218 /nfs/dbraw/zinc/34/72/18/609347218.db2.gz BBHYOQVPTSEIJT-SECBINFHSA-N -1 3 375.791 3.604 20 0 GHADHM C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824647661 609347220 /nfs/dbraw/zinc/34/72/20/609347220.db2.gz BBHYOQVPTSEIJT-SECBINFHSA-N -1 3 375.791 3.604 20 0 GHADHM COc1cc(Br)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826177238 609349677 /nfs/dbraw/zinc/34/96/77/609349677.db2.gz ZATMETBAXJFPPZ-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(Br)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826177238 609349678 /nfs/dbraw/zinc/34/96/78/609349678.db2.gz ZATMETBAXJFPPZ-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825181168 609370428 /nfs/dbraw/zinc/37/04/28/609370428.db2.gz CGADLNYYVQYZTQ-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825181168 609370430 /nfs/dbraw/zinc/37/04/30/609370430.db2.gz CGADLNYYVQYZTQ-OLZOCXBDSA-N -1 3 389.525 3.731 20 0 GHADHM O=C(OC[C@@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462860 609388722 /nfs/dbraw/zinc/38/87/22/609388722.db2.gz LDRHGRFHEUUVSA-ZDUSSCGKSA-N -1 3 382.445 3.569 20 0 GHADHM O=C(OC[C@@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462860 609388724 /nfs/dbraw/zinc/38/87/24/609388724.db2.gz LDRHGRFHEUUVSA-ZDUSSCGKSA-N -1 3 382.445 3.569 20 0 GHADHM CC(C)[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1F ZINC000824191045 609406753 /nfs/dbraw/zinc/40/67/53/609406753.db2.gz CKSAWLKHJNCYNS-GOSISDBHSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000824191045 609406754 /nfs/dbraw/zinc/40/67/54/609406754.db2.gz CKSAWLKHJNCYNS-GOSISDBHSA-N -1 3 387.846 3.715 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825643819 609410417 /nfs/dbraw/zinc/41/04/17/609410417.db2.gz WKZNKBVIYURQQC-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825643819 609410419 /nfs/dbraw/zinc/41/04/19/609410419.db2.gz WKZNKBVIYURQQC-UHFFFAOYSA-N -1 3 390.403 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824499628 609452186 /nfs/dbraw/zinc/45/21/86/609452186.db2.gz QEGISWWOJMWCFK-GXFFZTMASA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824499628 609452188 /nfs/dbraw/zinc/45/21/88/609452188.db2.gz QEGISWWOJMWCFK-GXFFZTMASA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](NC(=O)Nc1nccs1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505867 609454441 /nfs/dbraw/zinc/45/44/41/609454441.db2.gz IPQBHLMYYLJFAL-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1nccs1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505867 609454444 /nfs/dbraw/zinc/45/44/44/609454444.db2.gz IPQBHLMYYLJFAL-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM FC(F)Oc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826369971 609473580 /nfs/dbraw/zinc/47/35/80/609473580.db2.gz YBKPAROMZCDMIL-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM FC(F)Oc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826369971 609473581 /nfs/dbraw/zinc/47/35/81/609473581.db2.gz YBKPAROMZCDMIL-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnn(-c2ccc(F)cc2)c1 ZINC000824323785 609478207 /nfs/dbraw/zinc/47/82/07/609478207.db2.gz BGJOKIKNALWANR-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM Cc1ncccc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826330803 609484269 /nfs/dbraw/zinc/48/42/69/609484269.db2.gz ISSWJIHGZVBVJH-UHFFFAOYSA-N -1 3 390.422 3.900 20 0 GHADHM Cc1ncccc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826330803 609484271 /nfs/dbraw/zinc/48/42/71/609484271.db2.gz ISSWJIHGZVBVJH-UHFFFAOYSA-N -1 3 390.422 3.900 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000826187405 609506491 /nfs/dbraw/zinc/50/64/91/609506491.db2.gz OSQROFMSOLQRPS-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000826187405 609506494 /nfs/dbraw/zinc/50/64/94/609506494.db2.gz OSQROFMSOLQRPS-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM CSc1c(F)cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826229638 609517482 /nfs/dbraw/zinc/51/74/82/609517482.db2.gz LIMZNKVMKAUUEY-UHFFFAOYSA-N -1 3 393.444 3.598 20 0 GHADHM CSc1c(F)cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826229638 609517484 /nfs/dbraw/zinc/51/74/84/609517484.db2.gz LIMZNKVMKAUUEY-UHFFFAOYSA-N -1 3 393.444 3.598 20 0 GHADHM Cc1ccnc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826311646 609531842 /nfs/dbraw/zinc/53/18/42/609531842.db2.gz KDTUKTFWLPWSCT-IUCAKERBSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1ccnc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826311646 609531844 /nfs/dbraw/zinc/53/18/44/609531844.db2.gz KDTUKTFWLPWSCT-IUCAKERBSA-N -1 3 394.323 3.892 20 0 GHADHM Cc1c(Cl)cnc(NCc2sccc2Br)c1-c1nnn[n-]1 ZINC000826240461 609542026 /nfs/dbraw/zinc/54/20/26/609542026.db2.gz UJRBJOZGKQWJJP-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM Cc1c(Cl)cnc(NCc2sccc2Br)c1-c1nn[n-]n1 ZINC000826240461 609542028 /nfs/dbraw/zinc/54/20/28/609542028.db2.gz UJRBJOZGKQWJJP-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM Cc1ccnc(NCc2ccc(-n3cnc4ccccc43)cc2)c1-c1nnn[n-]1 ZINC000826314394 609542926 /nfs/dbraw/zinc/54/29/26/609542926.db2.gz URPRNQWMBBDJJF-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM Cc1ccnc(NCc2ccc(-n3cnc4ccccc43)cc2)c1-c1nn[n-]n1 ZINC000826314394 609542929 /nfs/dbraw/zinc/54/29/29/609542929.db2.gz URPRNQWMBBDJJF-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722535 609590438 /nfs/dbraw/zinc/59/04/38/609590438.db2.gz JLKZSLJQSZTHNR-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722535 609590441 /nfs/dbraw/zinc/59/04/41/609590441.db2.gz JLKZSLJQSZTHNR-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM COc1cccc([C@H]2C[C@H](C)CN2c2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826215390 609592877 /nfs/dbraw/zinc/59/28/77/609592877.db2.gz NMTJYLHDDBPURQ-MEDUHNTESA-N -1 3 384.871 3.820 20 0 GHADHM COc1cccc([C@H]2C[C@H](C)CN2c2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826215390 609592881 /nfs/dbraw/zinc/59/28/81/609592881.db2.gz NMTJYLHDDBPURQ-MEDUHNTESA-N -1 3 384.871 3.820 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824492476 609605853 /nfs/dbraw/zinc/60/58/53/609605853.db2.gz ZJUAZQJLSAQYJZ-DZSIALKYSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824492476 609605854 /nfs/dbraw/zinc/60/58/54/609605854.db2.gz ZJUAZQJLSAQYJZ-DZSIALKYSA-N -1 3 388.475 3.815 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826323776 609613309 /nfs/dbraw/zinc/61/33/09/609613309.db2.gz QSYIEULWBWOJOH-UHFFFAOYSA-N -1 3 397.744 3.599 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826323776 609613311 /nfs/dbraw/zinc/61/33/11/609613311.db2.gz QSYIEULWBWOJOH-UHFFFAOYSA-N -1 3 397.744 3.599 20 0 GHADHM CCO[C@H](C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000683545385 837479135 /nfs/dbraw/zinc/47/91/35/837479135.db2.gz ITJHZLDATDVRKI-HXUWFJFHSA-N -1 3 386.473 3.539 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1C ZINC000063443771 837491022 /nfs/dbraw/zinc/49/10/22/837491022.db2.gz ODSFGAVSXNZTHV-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)ccc1Cl ZINC000414380192 837507943 /nfs/dbraw/zinc/50/79/43/837507943.db2.gz ICLIXBLFIXUYTA-INIZCTEOSA-N -1 3 396.896 3.535 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)ccc1Cl ZINC000414380193 837508308 /nfs/dbraw/zinc/50/83/08/837508308.db2.gz ICLIXBLFIXUYTA-MRXNPFEDSA-N -1 3 396.896 3.535 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000431798187 837592645 /nfs/dbraw/zinc/59/26/45/837592645.db2.gz YZEOOTBNWDUJQR-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1OC ZINC000500790773 844011801 /nfs/dbraw/zinc/01/18/01/844011801.db2.gz ADMNHIHTCFBBPW-UHFFFAOYSA-N -1 3 398.912 3.528 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccc(Br)c1F ZINC000784972473 837745299 /nfs/dbraw/zinc/74/52/99/837745299.db2.gz GDECTBQCLYOPOV-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000458547050 834442850 /nfs/dbraw/zinc/44/28/50/834442850.db2.gz IAYPSYLUEJBXDM-ZDUSSCGKSA-N -1 3 392.297 3.760 20 0 GHADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000510036414 834516090 /nfs/dbraw/zinc/51/60/90/834516090.db2.gz XETQNNXMWKGLCC-QMMMGPOBSA-N -1 3 396.822 3.640 20 0 GHADHM Cc1ccccc1SCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430148108 834571168 /nfs/dbraw/zinc/57/11/68/834571168.db2.gz QRXSXQWAGCDVFT-UHFFFAOYSA-N -1 3 376.279 3.558 20 0 GHADHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151049967 834642661 /nfs/dbraw/zinc/64/26/61/834642661.db2.gz QSHBEKWZWVNYDA-UHFFFAOYSA-N -1 3 394.802 3.631 20 0 GHADHM CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)Cc2ccccc2C1 ZINC000092613949 834687253 /nfs/dbraw/zinc/68/72/53/834687253.db2.gz UKJJBIAOERKESZ-UHFFFAOYSA-N -1 3 397.272 3.578 20 0 GHADHM CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)o2)c1 ZINC000890530705 834793889 /nfs/dbraw/zinc/79/38/89/834793889.db2.gz MUEYFGUAFIJERZ-KRWDZBQOSA-N -1 3 392.459 3.574 20 0 GHADHM CC(C)c1ccc(C2(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)CCCC2)cc1 ZINC000890533868 834806811 /nfs/dbraw/zinc/80/68/11/834806811.db2.gz WAQPSIAGZIHSIH-IBGZPJMESA-N -1 3 394.519 3.513 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(CNCc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000683176765 834932016 /nfs/dbraw/zinc/93/20/16/834932016.db2.gz RCVADXLYLHSNNI-UHFFFAOYSA-N -1 3 390.439 3.936 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000583787614 835035064 /nfs/dbraw/zinc/03/50/64/835035064.db2.gz PDPJWDMNUUPLFR-HNNXBMFYSA-N -1 3 386.839 3.806 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511318665 835314605 /nfs/dbraw/zinc/31/46/05/835314605.db2.gz HCPKPFVTHYQIGJ-LBPRGKRZSA-N -1 3 390.306 3.779 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)n1 ZINC000132319571 835343050 /nfs/dbraw/zinc/34/30/50/835343050.db2.gz OXDSREGPLDVLOO-VIFPVBQESA-N -1 3 380.376 3.995 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)cc(=O)[n-]1 ZINC000509859879 844043986 /nfs/dbraw/zinc/04/39/86/844043986.db2.gz LHWZHMPYIAARHK-UHFFFAOYSA-N -1 3 389.459 3.512 20 0 GHADHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509860561 844044041 /nfs/dbraw/zinc/04/40/41/844044041.db2.gz BRXUGCCXVDZHQH-SNVBAGLBSA-N -1 3 378.803 3.663 20 0 GHADHM O=C(COc1ccc(OCc2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000427954513 835379402 /nfs/dbraw/zinc/37/94/02/835379402.db2.gz BEOSNCORRWOBSL-UHFFFAOYSA-N -1 3 381.403 3.806 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000471177708 835462579 /nfs/dbraw/zinc/46/25/79/835462579.db2.gz LGTRXIHJUCZIIK-UHFFFAOYSA-N -1 3 375.734 3.703 20 0 GHADHM Cc1ccc(NC(=O)C2=CCCCO2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000177016934 835476315 /nfs/dbraw/zinc/47/63/15/835476315.db2.gz CLNZDIRSLSLBIW-UHFFFAOYSA-N -1 3 390.436 3.568 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1Br ZINC000151511815 835478067 /nfs/dbraw/zinc/47/80/67/835478067.db2.gz FQXKVICQLMOLSS-UHFFFAOYSA-N -1 3 385.055 3.847 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C)c3[N+](=O)[O-])nc(=O)c2c1C ZINC000039501534 835526397 /nfs/dbraw/zinc/52/63/97/835526397.db2.gz TYVRQNSCVUGWJH-SNVBAGLBSA-N -1 3 387.417 3.736 20 0 GHADHM C[C@H](c1cccc(NCc2ncc(Br)cc2[O-])c1)N1CCOCC1 ZINC000892369973 835661950 /nfs/dbraw/zinc/66/19/50/835661950.db2.gz MLDFLQTTYSEZHE-CYBMUJFWSA-N -1 3 392.297 3.555 20 0 GHADHM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000584113201 835662118 /nfs/dbraw/zinc/66/21/18/835662118.db2.gz GCXFTVMHUBDQTC-SFHVURJKSA-N -1 3 377.510 3.517 20 0 GHADHM CCOc1ccc(CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151623626 835664049 /nfs/dbraw/zinc/66/40/49/835664049.db2.gz OQCRRJZGTNUWBI-UHFFFAOYSA-N -1 3 378.266 3.802 20 0 GHADHM CCc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047268898 835681411 /nfs/dbraw/zinc/68/14/11/835681411.db2.gz FUYGJUNZANCPQQ-UHFFFAOYSA-N -1 3 387.436 3.769 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151640939 835687514 /nfs/dbraw/zinc/68/75/14/835687514.db2.gz DSKILHOMMBYGIG-UHFFFAOYSA-N -1 3 390.277 3.996 20 0 GHADHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1F ZINC000065795977 835693628 /nfs/dbraw/zinc/69/36/28/835693628.db2.gz IGXDEGJLADCDOZ-UHFFFAOYSA-N -1 3 382.888 3.948 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1F ZINC000513005434 844088587 /nfs/dbraw/zinc/08/85/87/844088587.db2.gz WAQVOYRNBWSLAK-KSSFIOAISA-N -1 3 381.444 3.719 20 0 GHADHM COc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(Br)c1 ZINC000584314768 835872903 /nfs/dbraw/zinc/87/29/03/835872903.db2.gz XCHIKTIBJAPYRK-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2CCCCCCC2)cc1OC ZINC000065816870 835875931 /nfs/dbraw/zinc/87/59/31/835875931.db2.gz KUZJJBNRGMIPLP-UHFFFAOYSA-N -1 3 397.541 3.939 20 0 GHADHM CCS[C@@H](C)c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000545777300 844100020 /nfs/dbraw/zinc/10/00/20/844100020.db2.gz NJGGVQGHIFMJOV-LBPRGKRZSA-N -1 3 385.511 3.613 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](c3cccs3)N(C)C)c12 ZINC000584472193 836036387 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O=C(CNC(=O)c1ccc([O-])cc1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000685884785 836395128 /nfs/dbraw/zinc/39/51/28/836395128.db2.gz SYMFMYQRJYVNRV-SFHVURJKSA-N -1 3 393.270 3.696 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cccnc1 ZINC000015436185 836523654 /nfs/dbraw/zinc/52/36/54/836523654.db2.gz OMTCZDLWULJOGI-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cn(-c4ccccc4)nc3C)nc2)n1 ZINC000511362854 836609153 /nfs/dbraw/zinc/60/91/53/836609153.db2.gz SPXIVUIIHRFPLJ-UHFFFAOYSA-N -1 3 386.459 3.913 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414263709 836812811 /nfs/dbraw/zinc/81/28/11/836812811.db2.gz SPMKGKZSGHRPHC-ZHZWEUQESA-N -1 3 386.395 3.968 20 0 GHADHM O=C(CCC1CCCCC1)[N-]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177590942 836843938 /nfs/dbraw/zinc/84/39/38/836843938.db2.gz RQAZPIXKKVRZSB-UHFFFAOYSA-N -1 3 375.437 3.591 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC000175620807 836921413 /nfs/dbraw/zinc/92/14/13/836921413.db2.gz QYHHJMCRYJESAJ-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CN(CC(=O)Nc1ccccc1Br)Cc1c([O-])cccc1Cl ZINC000161176073 836935176 /nfs/dbraw/zinc/93/51/76/836935176.db2.gz MLJZDKBKDCIUMC-UHFFFAOYSA-N -1 3 383.673 3.879 20 0 GHADHM CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000110096570 844230097 /nfs/dbraw/zinc/23/00/97/844230097.db2.gz UABWMAAXWBLTAQ-VIFPVBQESA-N -1 3 375.313 3.649 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)nc21 ZINC001266467385 837097006 /nfs/dbraw/zinc/09/70/06/837097006.db2.gz PYDCABBQMTWCFJ-OAHLLOKOSA-N -1 3 385.807 3.603 20 0 GHADHM COc1ccc(C(C)(C)NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1F ZINC001167278047 837153491 /nfs/dbraw/zinc/15/34/91/837153491.db2.gz FCXQGEIWTWYDRO-UHFFFAOYSA-N -1 3 390.361 3.619 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000613075409 837210560 /nfs/dbraw/zinc/21/05/60/837210560.db2.gz WAKHRLQGOXBCCM-KRWDZBQOSA-N -1 3 395.427 3.929 20 0 GHADHM C[C@H](c1ccccc1)n1cc([N-]S(=O)(=O)CCCOCc2ccccc2)cn1 ZINC000655586749 837222581 /nfs/dbraw/zinc/22/25/81/837222581.db2.gz XMWZIXZMFOTBMN-GOSISDBHSA-N -1 3 399.516 3.841 20 0 GHADHM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1cc([O-])cc(F)c1)n2CC ZINC000471435809 837998783 /nfs/dbraw/zinc/99/87/83/837998783.db2.gz JTTVZNIFJUWHRP-UHFFFAOYSA-N -1 3 391.468 3.598 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])C1CCC(OC[C@H]2CCCO2)CC1 ZINC000549340126 838000435 /nfs/dbraw/zinc/00/04/35/838000435.db2.gz VJCJYERIVRNLFJ-PESDSKBTSA-N -1 3 398.297 3.848 20 0 GHADHM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000377904955 838138675 /nfs/dbraw/zinc/13/86/75/838138675.db2.gz QMTGVUPEAZZTSC-LJQANCHMSA-N -1 3 378.900 3.689 20 0 GHADHM O=C(Nc1ccncc1[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000109891296 838175096 /nfs/dbraw/zinc/17/50/96/838175096.db2.gz FJBMIUUQXSDBNU-LBPRGKRZSA-N -1 3 394.258 3.585 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)n[n-]2)o1 ZINC000728727555 838215745 /nfs/dbraw/zinc/21/57/45/838215745.db2.gz IUFBPTPXTKQEKS-QRYOHXEKSA-N -1 3 397.475 3.608 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)[n-]n2)o1 ZINC000728727555 838215751 /nfs/dbraw/zinc/21/57/51/838215751.db2.gz IUFBPTPXTKQEKS-QRYOHXEKSA-N -1 3 397.475 3.608 20 0 GHADHM CCCn1c(C)cc(-c2csc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)n2)c1C ZINC000031226766 838246691 /nfs/dbraw/zinc/24/66/91/838246691.db2.gz NPBCFWRYJBOAMN-UHFFFAOYSA-N -1 3 399.520 3.520 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000129058177 844316065 /nfs/dbraw/zinc/31/60/65/844316065.db2.gz CTEMADBJDPMHAR-FGZHOGPDSA-N -1 3 392.499 3.604 20 0 GHADHM O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cccc2n[n-]nc21 ZINC000580027647 838444686 /nfs/dbraw/zinc/44/46/86/838444686.db2.gz CXRZTHPJLVPXLY-UHFFFAOYSA-N -1 3 395.426 3.517 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1OCC ZINC000007927878 844336700 /nfs/dbraw/zinc/33/67/00/844336700.db2.gz FDWYZNJPSHFOSA-UHFFFAOYSA-N -1 3 395.477 3.610 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000295634528 838469237 /nfs/dbraw/zinc/46/92/37/838469237.db2.gz PCEJJEPZZKWTRW-KXBFYZLASA-N -1 3 386.473 3.710 20 0 GHADHM O=S(=O)([N-]Cc1nccc2ccccc21)c1cc(F)ccc1Br ZINC000178865165 838488107 /nfs/dbraw/zinc/48/81/07/838488107.db2.gz QRQGQPLNZWYUSM-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000613594692 838544970 /nfs/dbraw/zinc/54/49/70/838544970.db2.gz HGOPJYHKPJRLIU-KGLIPLIRSA-N -1 3 393.484 3.605 20 0 GHADHM COc1cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc(OC)c1OC ZINC001211647524 838561719 /nfs/dbraw/zinc/56/17/19/838561719.db2.gz TWUJWBUUCGDLIC-UHFFFAOYSA-N -1 3 388.807 3.841 20 0 GHADHM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181348928 838582679 /nfs/dbraw/zinc/58/26/79/838582679.db2.gz GOFXTLRWFWXYNF-AWEZNQCLSA-N -1 3 382.851 3.851 20 0 GHADHM CCOC(=O)C[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115197870 838587098 /nfs/dbraw/zinc/58/70/98/838587098.db2.gz IWGMAZGMDPVJNS-JTQLQIEISA-N -1 3 378.475 3.820 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000376716996 838651267 /nfs/dbraw/zinc/65/12/67/838651267.db2.gz XDRGNYWPTLHIBY-UHFFFAOYSA-N -1 3 386.814 3.916 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549813819 844356084 /nfs/dbraw/zinc/35/60/84/844356084.db2.gz YUNSNEALIYLPRE-JTQLQIEISA-N -1 3 387.383 3.533 20 0 GHADHM COc1ccccc1-c1noc(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000414634936 838710971 /nfs/dbraw/zinc/71/09/71/838710971.db2.gz FENKUZGNIQYVBD-UHFFFAOYSA-N -1 3 393.443 3.823 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000545445225 838729976 /nfs/dbraw/zinc/72/99/76/838729976.db2.gz UOPWJRDJFMHUND-CYBMUJFWSA-N -1 3 380.275 3.945 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182542965 838752555 /nfs/dbraw/zinc/75/25/55/838752555.db2.gz QBXFGENAOHOMMK-MRXNPFEDSA-N -1 3 392.377 3.963 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2C)c1 ZINC000182863882 838836357 /nfs/dbraw/zinc/83/63/57/838836357.db2.gz XWUKNWQDILVTSK-ZDUSSCGKSA-N -1 3 391.427 3.528 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)c2cccc(C)c2)c1 ZINC000182836407 838839339 /nfs/dbraw/zinc/83/93/39/838839339.db2.gz YOJHRHFHDVYLMA-CQSZACIVSA-N -1 3 393.443 3.783 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc(-c4ccoc4)n3)cc2)n1 ZINC000108162788 838921462 /nfs/dbraw/zinc/92/14/62/838921462.db2.gz DNROISNRBGPNSP-UHFFFAOYSA-N -1 3 378.413 3.714 20 0 GHADHM C[C@H]1[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C[C@H]1C ZINC000416323995 838963472 /nfs/dbraw/zinc/96/34/72/838963472.db2.gz VYHYXWOFDUHUBG-RBSFLKMASA-N -1 3 390.480 3.743 20 0 GHADHM CC[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000580202024 839046619 /nfs/dbraw/zinc/04/66/19/839046619.db2.gz OAJUDODJPYKUBJ-JUXOCIIHSA-N -1 3 394.515 3.905 20 0 GHADHM CC1(C)CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183777649 839067992 /nfs/dbraw/zinc/06/79/92/839067992.db2.gz LRFLRNCAGSUBJZ-HXUWFJFHSA-N -1 3 380.488 3.902 20 0 GHADHM CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccncc1 ZINC000124584126 839115907 /nfs/dbraw/zinc/11/59/07/839115907.db2.gz PBRWPIOJVXZADU-CQSZACIVSA-N -1 3 386.249 3.567 20 0 GHADHM COC(=O)c1cc(-c2ccn(-c3cccc([O-])c3Cl)c(=N)c2N)ccc1C ZINC001210855495 839136878 /nfs/dbraw/zinc/13/68/78/839136878.db2.gz RBVCHCGEFCKYFT-UHFFFAOYSA-N -1 3 383.835 3.660 20 0 GHADHM CSc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000048245113 844407161 /nfs/dbraw/zinc/40/71/61/844407161.db2.gz WOJKYSVSWWZAAJ-UHFFFAOYSA-N -1 3 394.518 3.576 20 0 GHADHM CCOC(=O)c1ccc2nc([N-]C(=O)c3c(C)noc3C(F)F)sc2c1 ZINC000893250951 839324017 /nfs/dbraw/zinc/32/40/17/839324017.db2.gz GQKRNISIUKMAHT-UHFFFAOYSA-N -1 3 381.360 3.959 20 0 GHADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000563028903 839325145 /nfs/dbraw/zinc/32/51/45/839325145.db2.gz RFLVLIZYRDSWPI-HFTRVMKXSA-N -1 3 388.464 3.545 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000155685036 839329452 /nfs/dbraw/zinc/32/94/52/839329452.db2.gz DNHBINXRQMXSAI-UHFFFAOYSA-N -1 3 399.875 3.628 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C)cc1Cl ZINC000416520843 839357086 /nfs/dbraw/zinc/35/70/86/839357086.db2.gz XZPNKFYEVHJUFQ-QLJPJBMISA-N -1 3 376.881 3.685 20 0 GHADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@H](C)O1 ZINC000549241419 839496060 /nfs/dbraw/zinc/49/60/60/839496060.db2.gz PJMQGWSMAFWZTL-QWRGUYRKSA-N -1 3 383.407 3.717 20 0 GHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1Cl ZINC000580415892 839525043 /nfs/dbraw/zinc/52/50/43/839525043.db2.gz NBLFOYWMUCYEJI-UHFFFAOYSA-N -1 3 381.725 3.978 20 0 GHADHM Cc1c([O-])ccc2c(CSc3nnc4n(C)c5ccccc5n34)cc(=O)oc12 ZINC000175947692 839591529 /nfs/dbraw/zinc/59/15/29/839591529.db2.gz CXPWMJHJACCKHH-UHFFFAOYSA-N -1 3 392.440 3.634 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1 ZINC000314221040 839669640 /nfs/dbraw/zinc/66/96/40/839669640.db2.gz RZDRUICNTOKKQC-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)oc1C ZINC000431844866 839717583 /nfs/dbraw/zinc/71/75/83/839717583.db2.gz NCGKRXNBVMDLIM-SNVBAGLBSA-N -1 3 379.459 3.629 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1)C(C)C ZINC000647127925 839757940 /nfs/dbraw/zinc/75/79/40/839757940.db2.gz HPJPQVHWCCOZOU-SFHVURJKSA-N -1 3 382.526 3.618 20 0 GHADHM CC(C)c1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2o1 ZINC000052642056 844479573 /nfs/dbraw/zinc/47/95/73/844479573.db2.gz QALYRAHBHCEVKI-QGZVFWFLSA-N -1 3 393.443 3.900 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)ccc1F ZINC000471605731 839951626 /nfs/dbraw/zinc/95/16/26/839951626.db2.gz NIUQWODVQGRYCD-UHFFFAOYSA-N -1 3 395.452 3.501 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)CCCc3nc(C(C)(C)C)no3)[nH][n-]2)c1 ZINC000512550217 844500459 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CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000580953853 840521409 /nfs/dbraw/zinc/52/14/09/840521409.db2.gz FCSAQEFTYSFIGG-VBKZILBWSA-N -1 3 394.471 3.533 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(N)=O)c2)cc1 ZINC000487341840 840558923 /nfs/dbraw/zinc/55/89/23/840558923.db2.gz QYOTWATWTREMFH-LBPRGKRZSA-N -1 3 377.466 3.500 20 0 GHADHM Cc1occc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000581043104 840628146 /nfs/dbraw/zinc/62/81/46/840628146.db2.gz VBPVLKCTGVPNPF-UHFFFAOYSA-N -1 3 379.413 3.521 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](CC)C3)nc(=O)c2c1C ZINC000030142802 844566525 /nfs/dbraw/zinc/56/65/25/844566525.db2.gz MHXIOUIPAQXMLW-CHWSQXEVSA-N -1 3 377.510 3.653 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc(-c2ccccc2)ns1 ZINC000512564816 844583044 /nfs/dbraw/zinc/58/30/44/844583044.db2.gz KZDTYLAVLLDNGZ-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)CC34CCC(CC3)CC4)CCCCCC2)no1 ZINC000432177661 840933842 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Cc1ccc([C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)c(C)c1 ZINC000684337954 841792758 /nfs/dbraw/zinc/79/27/58/841792758.db2.gz KCJAEBFZSFRCIU-GHTZIAJQSA-N -1 3 392.499 3.630 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000119147729 841857089 /nfs/dbraw/zinc/85/70/89/841857089.db2.gz OBXQDANXLGJLJB-QWRGUYRKSA-N -1 3 378.416 3.842 20 0 GHADHM [O-]c1coc2cc(OC[C@H](O)COC(c3ccccc3)c3ccccc3)ccc12 ZINC000555566859 861250449 /nfs/dbraw/zinc/25/04/49/861250449.db2.gz WFJINDMLCQJQDF-IBGZPJMESA-N -1 3 390.435 3.808 20 0 GHADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)on1 ZINC000153859881 842080642 /nfs/dbraw/zinc/08/06/42/842080642.db2.gz COGVVORGRIPIKE-UHFFFAOYSA-N -1 3 393.690 3.692 20 0 GHADHM [O-]c1cc(F)cc(CN2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000473139014 842089533 /nfs/dbraw/zinc/08/95/33/842089533.db2.gz NUZWRSVYVCOGHQ-UHFFFAOYSA-N -1 3 385.302 3.673 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1OC ZINC000512004517 842093797 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390.461 3.526 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccc(Cl)nc1 ZINC000006315319 842453036 /nfs/dbraw/zinc/45/30/36/842453036.db2.gz AHXUKWONHJEOLJ-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)C3(C(=O)[O-])CCCCCC3)c(C)c2)CC1 ZINC000663114510 842505039 /nfs/dbraw/zinc/50/50/39/842505039.db2.gz LIFYAKZGHXCKER-UHFFFAOYSA-N -1 3 387.524 3.501 20 0 GHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1Cl ZINC000432290485 842542149 /nfs/dbraw/zinc/54/21/49/842542149.db2.gz CMGSWOCGYQHSJP-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc(Cl)cc(Br)c1 ZINC000656987896 842548286 /nfs/dbraw/zinc/54/82/86/842548286.db2.gz JZJWHDNSLUHGCT-UHFFFAOYSA-N -1 3 392.624 3.722 20 0 GHADHM O=C([O-])[C@H]1CN(CCOc2cc(F)cc(Br)c2)Cc2ccccc21 ZINC000652470295 842593543 /nfs/dbraw/zinc/59/35/43/842593543.db2.gz SNUABJSFIFUWGN-KRWDZBQOSA-N -1 3 394.240 3.651 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000471804209 842606192 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C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511963311 842873339 /nfs/dbraw/zinc/87/33/39/842873339.db2.gz CLHPGBOSBJGEAW-JTQLQIEISA-N -1 3 378.354 3.526 20 0 GHADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000893674100 842877459 /nfs/dbraw/zinc/87/74/59/842877459.db2.gz CQPNPHGTPRAWSV-AWEZNQCLSA-N -1 3 398.409 3.662 20 0 GHADHM CCc1cc2c(CSc3nc4nc(C)c(C)c(C)n4n3)cc(=O)oc2cc1[O-] ZINC000107691215 842877523 /nfs/dbraw/zinc/87/75/23/842877523.db2.gz MXBKRVNCOYQJLS-UHFFFAOYSA-N -1 3 396.472 3.716 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)C1(c2ccccc2)CCCC1 ZINC000603901337 861356717 /nfs/dbraw/zinc/35/67/17/861356717.db2.gz JRXOAWSRPVCQIA-UHFFFAOYSA-N -1 3 392.499 3.625 20 0 GHADHM CCCn1nccc1CN[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000663261712 842938478 /nfs/dbraw/zinc/93/84/78/842938478.db2.gz FRIHFTKSHFMKDF-MLGOLLRUSA-N -1 3 380.286 3.607 20 0 GHADHM COc1ccc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c(Br)c1 ZINC000663260998 842942346 /nfs/dbraw/zinc/94/23/46/842942346.db2.gz GLQAXYLETNPJCN-SNVBAGLBSA-N -1 3 384.192 3.591 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)(C)C ZINC000510590367 843011100 /nfs/dbraw/zinc/01/11/00/843011100.db2.gz WZBLOKPZAXMEDN-GFCCVEGCSA-N -1 3 398.750 3.832 20 0 GHADHM CCCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000185649694 843016961 /nfs/dbraw/zinc/01/69/61/843016961.db2.gz MOYIKDNXTCSHCU-SFHVURJKSA-N -1 3 386.517 3.540 20 0 GHADHM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000432304958 843061529 /nfs/dbraw/zinc/06/15/29/843061529.db2.gz FIRQMQLYJPNOHR-CYBMUJFWSA-N -1 3 379.350 3.979 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1 ZINC000471875630 843154129 /nfs/dbraw/zinc/15/41/29/843154129.db2.gz JYOPWQBUBWXSEA-CYBMUJFWSA-N -1 3 389.452 3.619 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1csc(-c2ccc(Cl)cc2)n1 ZINC000471879566 843203280 /nfs/dbraw/zinc/20/32/80/843203280.db2.gz DKBAJHRMSLVUCR-RRFJBIMHSA-N -1 3 398.937 3.699 20 0 GHADHM Cc1cc(C)cc([C@@H]2NC(=O)N(c3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2=O)c1 ZINC000349296221 861427900 /nfs/dbraw/zinc/42/79/00/861427900.db2.gz KXGYJYMSOVLPBD-FQEVSTJZSA-N -1 3 388.427 3.572 20 0 GHADHM O=C(COc1ccc(Cl)c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000481453052 861437517 /nfs/dbraw/zinc/43/75/17/861437517.db2.gz LMGNEWHSVCKZPI-UHFFFAOYSA-N -1 3 388.620 3.642 20 0 GHADHM CC[C@H](CNC(=O)NCc1ncccc1[O-])Cc1cccc(Br)c1 ZINC000471935899 843696203 /nfs/dbraw/zinc/69/62/03/843696203.db2.gz HRNFUMBALPUDPA-ZDUSSCGKSA-N -1 3 392.297 3.618 20 0 GHADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c(C)cccc1[O-] ZINC000623711951 861446325 /nfs/dbraw/zinc/44/63/25/861446325.db2.gz TZUMBASTRGUWKD-UHFFFAOYSA-N -1 3 380.366 3.820 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1Cl ZINC000431178315 843781193 /nfs/dbraw/zinc/78/11/93/843781193.db2.gz CSZSOEZVZTVDKN-UHFFFAOYSA-N -1 3 392.820 3.582 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F ZINC000512832903 843830700 /nfs/dbraw/zinc/83/07/00/843830700.db2.gz KVRRDKIVBLFWQT-UHFFFAOYSA-N -1 3 381.469 3.885 20 0 GHADHM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429889928 843854836 /nfs/dbraw/zinc/85/48/36/843854836.db2.gz WKKPAZDRHBEIAX-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000028491999 861470185 /nfs/dbraw/zinc/47/01/85/861470185.db2.gz BSQKNDCTMFQDPG-UHFFFAOYSA-N -1 3 378.469 3.889 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@@H]3C(F)F)cc2)cc1 ZINC000512881533 843933185 /nfs/dbraw/zinc/93/31/85/843933185.db2.gz MKMSQLQQHCVJEA-HOTGVXAUSA-N -1 3 380.416 3.636 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000729082655 844713540 /nfs/dbraw/zinc/71/35/40/844713540.db2.gz XZHMXXTZKTXPDS-QAPCUYQASA-N -1 3 383.510 3.728 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000652713563 844844279 /nfs/dbraw/zinc/84/42/79/844844279.db2.gz RHFQOZWRDQPDSL-FGTMMUONSA-N -1 3 389.499 3.652 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1Cl ZINC000469085292 844978372 /nfs/dbraw/zinc/97/83/72/844978372.db2.gz WFJMVNHZPRMYSP-UHFFFAOYSA-N -1 3 394.880 3.813 20 0 GHADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000481506948 861544572 /nfs/dbraw/zinc/54/45/72/861544572.db2.gz HODFKJUMFCSXMO-SECBINFHSA-N -1 3 393.216 3.784 20 0 GHADHM O=S(=O)(c1ccc(CNCc2cccc([O-])c2Cl)cc1)N1CCCCC1 ZINC000645143221 845271589 /nfs/dbraw/zinc/27/15/89/845271589.db2.gz YWHSKTHNFCZHOF-UHFFFAOYSA-N -1 3 394.924 3.510 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(Cl)cc(Br)c1F ZINC000433097290 845293970 /nfs/dbraw/zinc/29/39/70/845293970.db2.gz LTLZDRVHOOPKJL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001211763388 845322063 /nfs/dbraw/zinc/32/20/63/845322063.db2.gz CTTBBLYPGWWNIV-HOCLYGCPSA-N -1 3 379.503 3.539 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000766024442 861561622 /nfs/dbraw/zinc/56/16/22/861561622.db2.gz TXDCUIJPWKEGDT-UHFFFAOYSA-N -1 3 377.847 3.868 20 0 GHADHM CCc1ccc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000513485819 845536999 /nfs/dbraw/zinc/53/69/99/845536999.db2.gz TWDAXKMSYRWDLK-INIZCTEOSA-N -1 3 377.444 3.544 20 0 GHADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000513537170 845610839 /nfs/dbraw/zinc/61/08/39/845610839.db2.gz VGEYMTYZWWPDIO-UHFFFAOYSA-N -1 3 392.459 3.903 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000611564539 845629008 /nfs/dbraw/zinc/62/90/08/845629008.db2.gz WUYOGOOQAMPDMD-FQEVSTJZSA-N -1 3 397.471 3.687 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)(C)C)s1 ZINC000511049793 845961453 /nfs/dbraw/zinc/96/14/53/845961453.db2.gz VEWZMUWQIPGCKM-OAHLLOKOSA-N -1 3 385.482 3.740 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC001269123967 846184282 /nfs/dbraw/zinc/18/42/82/846184282.db2.gz OZJXPEKJQDTOOP-CQSZACIVSA-N -1 3 387.480 3.755 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCC[C@@]1(O)C(F)(F)F ZINC001140547703 846225770 /nfs/dbraw/zinc/22/57/70/846225770.db2.gz KKQHLAYOEXMXNC-YGRLFVJLSA-N -1 3 382.220 3.680 20 0 GHADHM FC(F)(F)c1ccc(Cc2cnc(N=c3ncnc4[nH][n-]cc3-4)s2)cc1 ZINC000502740393 846393582 /nfs/dbraw/zinc/39/35/82/846393582.db2.gz QEKWZTORPMJIPK-UHFFFAOYSA-N -1 3 376.367 3.536 20 0 GHADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3cc(Cl)ccc3[O-])c(C)c12 ZINC000502748484 846429646 /nfs/dbraw/zinc/42/96/46/846429646.db2.gz YIKZJVBFZOZUPI-UHFFFAOYSA-N -1 3 388.855 3.524 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000481545290 861676371 /nfs/dbraw/zinc/67/63/71/861676371.db2.gz RETUYJLJPXRRNT-UHFFFAOYSA-N -1 3 397.356 3.625 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c(C(F)(F)F)n1 ZINC000684764661 846440306 /nfs/dbraw/zinc/44/03/06/846440306.db2.gz PLZXMHZHZOWWRR-UHFFFAOYSA-N -1 3 381.383 3.616 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000280599368 846457692 /nfs/dbraw/zinc/45/76/92/846457692.db2.gz NWQGCLOWBWRVPR-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000280599368 846457697 /nfs/dbraw/zinc/45/76/97/846457697.db2.gz NWQGCLOWBWRVPR-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CC12CCCCC2 ZINC000421683969 846463471 /nfs/dbraw/zinc/46/34/71/846463471.db2.gz VTJSSOXNYKMIGL-VIFPVBQESA-N -1 3 380.208 3.539 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)CCc3ccccc3)[n-]c(=O)c12 ZINC000502835505 846529697 /nfs/dbraw/zinc/52/96/97/846529697.db2.gz BFBLGLBKCFDCGT-ZDUSSCGKSA-N -1 3 383.473 3.939 20 0 GHADHM COc1ccc(C[NH2+][C@@H]2CCCCCC[C@H]2C(=O)[O-])c(Br)c1[O-] ZINC000277510201 846598201 /nfs/dbraw/zinc/59/82/01/846598201.db2.gz YEPJZSZHAWLRDY-CHWSQXEVSA-N -1 3 386.286 3.677 20 0 GHADHM COc1cccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)c1OC ZINC000563282227 846639837 /nfs/dbraw/zinc/63/98/37/846639837.db2.gz GCZOLLUESVMGLS-UHFFFAOYSA-N -1 3 378.494 3.760 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000502954667 846651109 /nfs/dbraw/zinc/65/11/09/846651109.db2.gz CNJFBMYGHSMUPN-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000502954667 846651116 /nfs/dbraw/zinc/65/11/16/846651116.db2.gz CNJFBMYGHSMUPN-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM Cc1cc(C)c(C(=O)CCCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)c1 ZINC000502965074 846669297 /nfs/dbraw/zinc/66/92/97/846669297.db2.gz ALRUNZLORNMBPW-UHFFFAOYSA-N -1 3 376.460 3.811 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419603866 846670811 /nfs/dbraw/zinc/67/08/11/846670811.db2.gz MWWMNLZGZUCIBV-UHFFFAOYSA-N -1 3 379.869 3.594 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419605444 846671666 /nfs/dbraw/zinc/67/16/66/846671666.db2.gz PYGARFCLQQEIMG-UHFFFAOYSA-N -1 3 393.896 3.984 20 0 GHADHM CCN(CC)C(=O)CCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000503118899 846813720 /nfs/dbraw/zinc/81/37/20/846813720.db2.gz HIJVHXPJILFAKF-UHFFFAOYSA-N -1 3 397.306 3.783 20 0 GHADHM CC(C)OC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000127611975 847152623 /nfs/dbraw/zinc/15/26/23/847152623.db2.gz STSCLTRDGOAHKZ-SNVBAGLBSA-N -1 3 378.475 3.990 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@]3(C)CCCOC3)cc2)cc1 ZINC000272732544 847158181 /nfs/dbraw/zinc/15/81/81/847158181.db2.gz IOPXMOQLIOYRPO-FQEVSTJZSA-N -1 3 388.489 3.551 20 0 GHADHM Cc1ccc([C@H](CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C(=O)[O-])cc1 ZINC000899767491 861761023 /nfs/dbraw/zinc/76/10/23/861761023.db2.gz SEKQJPPHOCWERA-VXKWHMMOSA-N -1 3 394.515 3.724 20 0 GHADHM CCN1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684871139 847240608 /nfs/dbraw/zinc/24/06/08/847240608.db2.gz VTBGTOJUMXDTCI-UHFFFAOYSA-N -1 3 393.409 3.805 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(C)c1 ZINC000501850856 847253998 /nfs/dbraw/zinc/25/39/98/847253998.db2.gz CEVBWBZFMJYVHH-UHFFFAOYSA-N -1 3 375.368 3.935 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000273600276 847382206 /nfs/dbraw/zinc/38/22/06/847382206.db2.gz JFOIFXDRNLPVJO-UHFFFAOYSA-N -1 3 392.249 3.544 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cc(Cl)ccc1OC(F)F ZINC000420687582 847389209 /nfs/dbraw/zinc/38/92/09/847389209.db2.gz LJQOXYFDHLFUEB-UHFFFAOYSA-N -1 3 375.771 3.798 20 0 GHADHM CC(=O)N1CCC[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)C1 ZINC000273769905 847439602 /nfs/dbraw/zinc/43/96/02/847439602.db2.gz CMDMIQBDFBAWBT-QGZVFWFLSA-N -1 3 393.443 3.747 20 0 GHADHM CCOc1ccc(Br)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503287961 847562058 /nfs/dbraw/zinc/56/20/58/847562058.db2.gz VPCNKHPTFWXKBD-UHFFFAOYSA-N -1 3 379.189 3.511 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000502227837 847612399 /nfs/dbraw/zinc/61/23/99/847612399.db2.gz VBHJAORKTQWBGR-UHFFFAOYSA-N -1 3 381.413 3.605 20 0 GHADHM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1)c1c[n-]c2ccccc2c1=O ZINC000431451009 847618611 /nfs/dbraw/zinc/61/86/11/847618611.db2.gz WZHKZEUREJUCQO-UHFFFAOYSA-N -1 3 388.471 3.971 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780376771 847621282 /nfs/dbraw/zinc/62/12/82/847621282.db2.gz MIMNDOBFEZUPTI-UHFFFAOYSA-N -1 3 382.432 3.570 20 0 GHADHM Cc1c(CN[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)sc2c1cccc2Cl ZINC000414662710 847639433 /nfs/dbraw/zinc/63/94/33/847639433.db2.gz ROIFSYOTIRGULU-GDBMZVCRSA-N -1 3 394.924 3.663 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)[C@@H]2C)cc1Cl ZINC000481597872 861817901 /nfs/dbraw/zinc/81/79/01/861817901.db2.gz LDIKYJWREHVHMG-GVXVVHGQSA-N -1 3 390.908 3.788 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ncccc2Cl)CC1 ZINC000560294465 847729706 /nfs/dbraw/zinc/72/97/06/847729706.db2.gz JJJISHDBGSGNMY-UHFFFAOYSA-N -1 3 394.258 3.585 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1)N1CCCC1 ZINC000563409530 847749116 /nfs/dbraw/zinc/74/91/16/847749116.db2.gz AICHHUIYGOHSMO-UHFFFAOYSA-N -1 3 393.896 3.910 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)Cc3ccccc3OC)nc21 ZINC000503592271 847817952 /nfs/dbraw/zinc/81/79/52/847817952.db2.gz YLPIZMDTVSHMTR-UHFFFAOYSA-N -1 3 381.432 3.566 20 0 GHADHM COc1cc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)cc(Br)c1[O-] ZINC000350772764 861850200 /nfs/dbraw/zinc/85/02/00/861850200.db2.gz FLYMUUVZQRVAMW-UWVGGRQHSA-N -1 3 382.258 3.586 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)c1ccc(F)cc1F ZINC000731724791 861851488 /nfs/dbraw/zinc/85/14/88/861851488.db2.gz PWHKKBXHFKHDLU-MRVPVSSYSA-N -1 3 385.160 3.861 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000684997245 848096857 /nfs/dbraw/zinc/09/68/57/848096857.db2.gz LMKCDLZKJSYWCA-QFUCXCTJSA-N -1 3 392.499 3.792 20 0 GHADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000255540840 848261261 /nfs/dbraw/zinc/26/12/61/848261261.db2.gz HAYZESBKOGGJFG-VURMDHGXSA-N -1 3 381.432 3.648 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)N=c3cc4ccccn4[n-]3)s2)cs1 ZINC000548763157 848272178 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3.938 20 0 GHADHM CC[C@@H](CNC(=O)c1c(C)ccc(C)c1C(=O)[O-])N1CCc2ccccc2C1 ZINC000634859865 849237127 /nfs/dbraw/zinc/23/71/27/849237127.db2.gz BMPGJICFKJKAKL-IBGZPJMESA-N -1 3 380.488 3.568 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)sc1C)c1nccs1 ZINC000155246815 849485952 /nfs/dbraw/zinc/48/59/52/849485952.db2.gz LRVAABATGLKUBD-GFCCVEGCSA-N -1 3 395.369 3.879 20 0 GHADHM CC(C)(CO)[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccs1 ZINC000583291783 849555525 /nfs/dbraw/zinc/55/55/25/849555525.db2.gz FUXHRIQKELZTDD-GOSISDBHSA-N -1 3 383.473 3.993 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000536000911 849688463 /nfs/dbraw/zinc/68/84/63/849688463.db2.gz UHCOEUQEWACVTQ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000098122206 849888064 /nfs/dbraw/zinc/88/80/64/849888064.db2.gz VJCIBBQDVWVLPU-CHWSQXEVSA-N -1 3 381.904 3.840 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)sc21 ZINC000732085210 862070715 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3.579 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CCN1Cc1ccccc1 ZINC000911500104 851761845 /nfs/dbraw/zinc/76/18/45/851761845.db2.gz FDHOEURVJOVNCX-HNNXBMFYSA-N -1 3 386.879 3.775 20 0 GHADHM C[C@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCN1Cc1ccccc1 ZINC000911501519 851762868 /nfs/dbraw/zinc/76/28/68/851762868.db2.gz UJMAOANIZDOJBW-NWLLBJEDSA-N -1 3 384.520 3.535 20 0 GHADHM CC1(C)CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C(C)(C)CN1Cc1ccccc1 ZINC000911501525 851763003 /nfs/dbraw/zinc/76/30/03/851763003.db2.gz UMUNAJQUZUWIRT-KHPPLWFESA-N -1 3 396.487 3.893 20 0 GHADHM O=C(Cc1ccc(I)cc1)Nc1ccc(Cl)cc1[O-] ZINC000488834259 851805673 /nfs/dbraw/zinc/80/56/73/851805673.db2.gz VBKKAQKGVCVVFV-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488932736 851871059 /nfs/dbraw/zinc/87/10/59/851871059.db2.gz AVFDGSIUUPBXTK-SNVBAGLBSA-N -1 3 379.350 3.893 20 0 GHADHM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCCC1 ZINC000911779765 851889969 /nfs/dbraw/zinc/88/99/69/851889969.db2.gz SYYIFACTIOSFML-ICSRJNTNSA-N -1 3 390.499 3.578 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OCCC ZINC000438051599 851964354 /nfs/dbraw/zinc/96/43/54/851964354.db2.gz CFJVNFJHCNWHFF-UHFFFAOYSA-N -1 3 384.436 3.824 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436510751 851997540 /nfs/dbraw/zinc/99/75/40/851997540.db2.gz GVTOOEUAILPILG-KRWDZBQOSA-N -1 3 398.503 3.863 20 0 GHADHM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc(Cc3ccccc3)ccc1[O-])CCC2 ZINC000436513066 852002644 /nfs/dbraw/zinc/00/26/44/852002644.db2.gz LPUKUGCDWXKETP-LJQANCHMSA-N -1 3 375.472 3.795 20 0 GHADHM O=C(Cc1cccc2ccccc21)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436532939 852023767 /nfs/dbraw/zinc/02/37/67/852023767.db2.gz YMSYACIPFLJHGM-UHFFFAOYSA-N -1 3 388.467 3.509 20 0 GHADHM CCOc1cc(C)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436532211 852024525 /nfs/dbraw/zinc/02/45/25/852024525.db2.gz VTXKEJNKDVJHBY-UHFFFAOYSA-N -1 3 397.475 3.526 20 0 GHADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436551209 852040042 /nfs/dbraw/zinc/04/00/42/852040042.db2.gz XGOJGWGHEODEKU-IBGZPJMESA-N -1 3 382.460 3.658 20 0 GHADHM COC(=O)[C@H]1CC12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000436553885 852041900 /nfs/dbraw/zinc/04/19/00/852041900.db2.gz ICGIYIUMRPFGFV-GOSISDBHSA-N -1 3 381.428 3.600 20 0 GHADHM Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C1CC1 ZINC000436539712 852050510 /nfs/dbraw/zinc/05/05/10/852050510.db2.gz OUPVAUWIKIWBAW-UHFFFAOYSA-N -1 3 379.460 3.568 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCNC(=O)[C@H]1c1cccs1 ZINC000436573167 852077888 /nfs/dbraw/zinc/07/78/88/852077888.db2.gz HMAMIGQCVPMZEJ-LJQANCHMSA-N -1 3 394.452 3.559 20 0 GHADHM Cc1csc(N2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)n1 ZINC000436595206 852082592 /nfs/dbraw/zinc/08/25/92/852082592.db2.gz LGYCEWYZJWIBPM-UHFFFAOYSA-N -1 3 393.512 3.710 20 0 GHADHM CCCCn1ncc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1C(C)C ZINC000436597828 852084253 /nfs/dbraw/zinc/08/42/53/852084253.db2.gz XCJPLSHHCIUNQU-UHFFFAOYSA-N -1 3 386.496 3.579 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(Cc2ccccc2)CC1 ZINC000436614114 852115717 /nfs/dbraw/zinc/11/57/17/852115717.db2.gz YZRVRCQIKLZWON-UHFFFAOYSA-N -1 3 386.495 3.941 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436631913 852126265 /nfs/dbraw/zinc/12/62/65/852126265.db2.gz XPMKUFGAPRWDTR-HXUWFJFHSA-N -1 3 398.478 3.617 20 0 GHADHM CC[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)C1 ZINC000436634657 852129266 /nfs/dbraw/zinc/12/92/66/852129266.db2.gz HKBWBHPOOWTPQC-CQSZACIVSA-N -1 3 387.505 3.601 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])o1 ZINC000436637777 852131991 /nfs/dbraw/zinc/13/19/91/852131991.db2.gz CBZFOFOKDGCKKB-YJBOKZPZSA-N -1 3 384.476 3.722 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000578824856 852159998 /nfs/dbraw/zinc/15/99/98/852159998.db2.gz ADYHGWDNBMLELE-UHFFFAOYSA-N -1 3 390.355 3.555 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccccc2C(F)(F)F)c([O-])c1 ZINC000436663226 852160692 /nfs/dbraw/zinc/16/06/92/852160692.db2.gz DYWUEVVVGHIPQJ-CYBMUJFWSA-N -1 3 394.393 3.717 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436722127 852246369 /nfs/dbraw/zinc/24/63/69/852246369.db2.gz NESZWXSBABXILB-UXHICEINSA-N -1 3 392.499 3.926 20 0 GHADHM CC1(C)CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436722131 852246664 /nfs/dbraw/zinc/24/66/64/852246664.db2.gz NESZWXSBABXILB-VQTJNVASSA-N -1 3 392.499 3.926 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436728190 852247616 /nfs/dbraw/zinc/24/76/16/852247616.db2.gz IRJQXCWCUNQAEG-UHFFFAOYSA-N -1 3 397.406 3.742 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCc3cnc(C)o3)nc(=O)c2c1C ZINC000912418137 852264965 /nfs/dbraw/zinc/26/49/65/852264965.db2.gz VJPCMCSSOFLBBK-SECBINFHSA-N -1 3 393.490 3.761 20 0 GHADHM COc1ccc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)c([O-])c1 ZINC000436730493 852271551 /nfs/dbraw/zinc/27/15/51/852271551.db2.gz WZTIXZHGRBQFBU-LLVKDONJSA-N -1 3 376.250 3.923 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1(F)CCC1 ZINC000436733373 852275019 /nfs/dbraw/zinc/27/50/19/852275019.db2.gz HKZUIENQGZUSNG-IBGZPJMESA-N -1 3 384.451 3.652 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4ccccc4)nc3C)nc21 ZINC000438362591 852304633 /nfs/dbraw/zinc/30/46/33/852304633.db2.gz XOOZWPCZKGSSMO-UHFFFAOYSA-N -1 3 386.411 3.972 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H]3CCC[C@@H]3C)cs2)c1 ZINC000436779701 852315605 /nfs/dbraw/zinc/31/56/05/852315605.db2.gz MEQBLLJKYOIAKN-UONOGXRCSA-N -1 3 387.505 3.504 20 0 GHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1cccc(Cl)c1Cl ZINC000426733372 852329871 /nfs/dbraw/zinc/32/98/71/852329871.db2.gz XUSFUQFRQUWIIC-INIZCTEOSA-N -1 3 379.287 3.989 20 0 GHADHM COc1ccc(Br)cc1[C@H](NCc1cccc(C)c1C)C(=O)[O-] ZINC000426742840 852341512 /nfs/dbraw/zinc/34/15/12/852341512.db2.gz LPTPLPNQRJLBIP-KRWDZBQOSA-N -1 3 378.266 3.990 20 0 GHADHM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1ccn(-c2ccccc2)n1 ZINC000426745197 852344616 /nfs/dbraw/zinc/34/46/16/852344616.db2.gz ZKLCNJQDAPIGPD-SFHVURJKSA-N -1 3 390.270 3.965 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(-c2ccccc2)o1 ZINC000436816371 852357455 /nfs/dbraw/zinc/35/74/55/852357455.db2.gz SAXKOBSICRZQLU-UHFFFAOYSA-N -1 3 390.439 3.687 20 0 GHADHM CSCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436809658 852369883 /nfs/dbraw/zinc/36/98/83/852369883.db2.gz OXXLWMVUZKBPMC-UHFFFAOYSA-N -1 3 399.516 3.682 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c([O-])c1 ZINC000436811825 852371679 /nfs/dbraw/zinc/37/16/79/852371679.db2.gz KMIRLLWXUDBJAO-HXUWFJFHSA-N -1 3 394.515 3.698 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1Cl ZINC000570479997 852385488 /nfs/dbraw/zinc/38/54/88/852385488.db2.gz MWATVDQMYNQVRU-UHFFFAOYSA-N -1 3 375.277 3.647 20 0 GHADHM CC[C@@H](C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436822641 852391845 /nfs/dbraw/zinc/39/18/45/852391845.db2.gz PZSOIVCCDYDCNJ-VGSWGCGISA-N -1 3 394.515 3.943 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCc3c(C)c(F)cc(Cl)c32)c(=O)[n-]1 ZINC000425637132 852398312 /nfs/dbraw/zinc/39/83/12/852398312.db2.gz XNPGHHRALNGUIT-UHFFFAOYSA-N -1 3 377.847 3.812 20 0 GHADHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436842967 852407444 /nfs/dbraw/zinc/40/74/44/852407444.db2.gz YKJWZFCYQZTGRD-NQYLQCIDSA-N -1 3 381.428 3.598 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000426802966 852413300 /nfs/dbraw/zinc/41/33/00/852413300.db2.gz ZDFHGNXZKPJVKX-INIZCTEOSA-N -1 3 377.213 3.985 20 0 GHADHM CC(C)(C)C[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000426824623 852438193 /nfs/dbraw/zinc/43/81/93/852438193.db2.gz NLHNWWWWTAFOTM-SNVBAGLBSA-N -1 3 394.107 3.586 20 0 GHADHM Cc1ccc(-c2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)c([O-])c1 ZINC000436905393 852472687 /nfs/dbraw/zinc/47/26/87/852472687.db2.gz SKDJCHPLCUYGFB-UHFFFAOYSA-N -1 3 375.384 3.941 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)c1 ZINC000436932013 852491006 /nfs/dbraw/zinc/49/10/06/852491006.db2.gz MCJIUDFMSKVWEQ-UHFFFAOYSA-N -1 3 378.331 3.652 20 0 GHADHM Cc1ccsc1CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436915583 852495042 /nfs/dbraw/zinc/49/50/42/852495042.db2.gz PCJZJUBKFBAYDV-IBGZPJMESA-N -1 3 394.496 3.940 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)c([O-])c2O1 ZINC000436917338 852496035 /nfs/dbraw/zinc/49/60/35/852496035.db2.gz XHJSQAWKPKEAGX-UHFFFAOYSA-N -1 3 384.407 3.624 20 0 GHADHM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000293212712 852512756 /nfs/dbraw/zinc/51/27/56/852512756.db2.gz XOSJMVGHOSUOJX-UHFFFAOYSA-N -1 3 390.892 3.795 20 0 GHADHM Cc1cc(C)c(C[C@H](C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)C(F)(F)F)c(C)c1 ZINC000473850332 852517594 /nfs/dbraw/zinc/51/75/94/852517594.db2.gz OAQXOAYVCLCGRE-NVXWUHKLSA-N -1 3 395.425 3.968 20 0 GHADHM O=C(Nc1csc2ccccc12)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436962401 852532809 /nfs/dbraw/zinc/53/28/09/852532809.db2.gz DZHIKVAOOFJFLL-UHFFFAOYSA-N -1 3 381.457 3.597 20 0 GHADHM COCCOc1ccc(Cl)cc1-c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436950429 852540600 /nfs/dbraw/zinc/54/06/00/852540600.db2.gz VUVYOOOTAOAJHH-UHFFFAOYSA-N -1 3 376.796 3.796 20 0 GHADHM C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000436957020 852546142 /nfs/dbraw/zinc/54/61/42/852546142.db2.gz QZVWXDWSEPVWGJ-GUYCJALGSA-N -1 3 394.393 3.568 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436959898 852550128 /nfs/dbraw/zinc/55/01/28/852550128.db2.gz FNCBIHCNKMFXNF-UWJYYQICSA-N -1 3 394.515 3.868 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c([O-])c1 ZINC000436972888 852556610 /nfs/dbraw/zinc/55/66/10/852556610.db2.gz QTMZTTJYKBXYIQ-UHFFFAOYSA-N -1 3 379.460 3.746 20 0 GHADHM COc1ccc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436973459 852558574 /nfs/dbraw/zinc/55/85/74/852558574.db2.gz XPBAJMLCGUVVBE-JQFCIGGWSA-N -1 3 375.465 3.516 20 0 GHADHM CCn1cc(Br)c(=O)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436981812 852569803 /nfs/dbraw/zinc/56/98/03/852569803.db2.gz VGBHLDCTKIACAS-UHFFFAOYSA-N -1 3 379.254 3.712 20 0 GHADHM CCC(C)(C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436983480 852592397 /nfs/dbraw/zinc/59/23/97/852592397.db2.gz WQAIKQITXNMDHX-UHFFFAOYSA-N -1 3 375.494 3.599 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000506312046 852672093 /nfs/dbraw/zinc/67/20/93/852672093.db2.gz HVGBBZJYIYTFCS-RHSMWYFYSA-N -1 3 387.553 3.821 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(Cl)c1 ZINC000427069786 852690230 /nfs/dbraw/zinc/69/02/30/852690230.db2.gz NSJBYEZGXQFAJC-UHFFFAOYSA-N -1 3 385.855 3.550 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(Cl)c1 ZINC000427069786 852690232 /nfs/dbraw/zinc/69/02/32/852690232.db2.gz NSJBYEZGXQFAJC-UHFFFAOYSA-N -1 3 385.855 3.550 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489987363 852708033 /nfs/dbraw/zinc/70/80/33/852708033.db2.gz WMGCHLZXBRXOQF-NSHDSACASA-N -1 3 395.855 3.621 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ncsc1-c1ccccc1 ZINC000438724004 852779349 /nfs/dbraw/zinc/77/93/49/852779349.db2.gz NGLFXDQJRQFXHZ-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM CC(=O)N(c1nnc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)s1)C1CC1 ZINC000516630820 852824492 /nfs/dbraw/zinc/82/44/92/852824492.db2.gz YKMCPWCFWUHZPR-UHFFFAOYSA-N -1 3 399.501 3.508 20 0 GHADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCc1ncccc1[O-] ZINC000437194594 852831869 /nfs/dbraw/zinc/83/18/69/852831869.db2.gz ANGUKAPELCNOCT-UHFFFAOYSA-N -1 3 378.215 3.987 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473856913 852885129 /nfs/dbraw/zinc/88/51/29/852885129.db2.gz MPZWHBZGEFCNPA-LRDDRELGSA-N -1 3 392.297 3.653 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437276163 852937524 /nfs/dbraw/zinc/93/75/24/852937524.db2.gz METTVBDRESXDAY-ZWNOBZJWSA-N -1 3 377.847 3.867 20 0 GHADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000507473827 852946288 /nfs/dbraw/zinc/94/62/88/852946288.db2.gz BUSRPWDSMIDMLA-GXSJLCMTSA-N -1 3 387.324 3.507 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000473860036 853014435 /nfs/dbraw/zinc/01/44/35/853014435.db2.gz WLVLKUTYWANKJC-SFHVURJKSA-N -1 3 392.390 3.883 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CC(C)(C)O4)ccc2O1 ZINC000507583973 853070748 /nfs/dbraw/zinc/07/07/48/853070748.db2.gz QFRVYXOAXRWVBB-LBPRGKRZSA-N -1 3 387.457 3.555 20 0 GHADHM O=C(CCCC(=O)c1ccc(Br)cc1)NCc1ccc([O-])c(F)c1 ZINC000438921353 853089614 /nfs/dbraw/zinc/08/96/14/853089614.db2.gz VGBNHIXYXPZRJQ-UHFFFAOYSA-N -1 3 394.240 3.963 20 0 GHADHM COc1cc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc(OC)c1[O-] ZINC000490571069 853099184 /nfs/dbraw/zinc/09/91/84/853099184.db2.gz ZIKLPDBJGICPGX-UHFFFAOYSA-N -1 3 385.338 3.580 20 0 GHADHM C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000516882708 853112963 /nfs/dbraw/zinc/11/29/63/853112963.db2.gz UXYXBDQLVDVCDS-NHYWBVRUSA-N -1 3 381.457 3.522 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507620198 853115175 /nfs/dbraw/zinc/11/51/75/853115175.db2.gz YOPVSMGIAITMET-UHFFFAOYSA-N -1 3 391.823 3.753 20 0 GHADHM CCOC(=O)CC(C)(C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000490648390 853147742 /nfs/dbraw/zinc/14/77/42/853147742.db2.gz GKKBQQWDTHZFBA-UHFFFAOYSA-N -1 3 389.477 3.821 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)nn1 ZINC000517068114 853327848 /nfs/dbraw/zinc/32/78/48/853327848.db2.gz JODHINDWWUHEGM-AWEZNQCLSA-N -1 3 382.493 3.605 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2cccs2)c[nH]1)c1c(Cl)cccc1Cl ZINC000439186891 853387771 /nfs/dbraw/zinc/38/77/71/853387771.db2.gz BOLIRECFOGIJSX-UHFFFAOYSA-N -1 3 388.301 3.924 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4ccccc4F)n[n-]3)cc12 ZINC000439216313 853433325 /nfs/dbraw/zinc/43/33/25/853433325.db2.gz SBOICACLHJEOSA-UHFFFAOYSA-N -1 3 384.440 3.935 20 0 GHADHM O=Cc1cccc(OCc2ccccc2C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156307924 853495936 /nfs/dbraw/zinc/49/59/36/853495936.db2.gz XELVNRWTIBDOAI-UHFFFAOYSA-N -1 3 379.387 3.853 20 0 GHADHM CCC(CC)C(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000586750291 853519173 /nfs/dbraw/zinc/51/91/73/853519173.db2.gz GBROOZLVZCIMBU-UHFFFAOYSA-N -1 3 394.515 3.704 20 0 GHADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000586752327 853521451 /nfs/dbraw/zinc/52/14/51/853521451.db2.gz AMBZCGWWKJDBRP-FQEVSTJZSA-N -1 3 391.471 3.805 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000440713053 853533852 /nfs/dbraw/zinc/53/38/52/853533852.db2.gz MPHYTCRCLALYIV-LPHOPBHVSA-N -1 3 377.444 3.679 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)n1 ZINC000750155690 862476507 /nfs/dbraw/zinc/47/65/07/862476507.db2.gz KNVLXVAKLUDRHI-VIFPVBQESA-N -1 3 385.873 3.832 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000517393352 853735780 /nfs/dbraw/zinc/73/57/80/853735780.db2.gz LELIRESXNFHINI-UHFFFAOYSA-N -1 3 375.313 3.507 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)s1 ZINC000520031305 853766216 /nfs/dbraw/zinc/76/62/16/853766216.db2.gz GFKRDHZHGCDGJB-QGZVFWFLSA-N -1 3 379.503 3.745 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000571291078 853830742 /nfs/dbraw/zinc/83/07/42/853830742.db2.gz LBDAEUDYRZUVQY-WMZOPIPTSA-N -1 3 389.492 3.570 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000481905834 862523168 /nfs/dbraw/zinc/52/31/68/862523168.db2.gz PWPZXQFJLIVKJW-OAHLLOKOSA-N -1 3 392.406 3.973 20 0 GHADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)c1C ZINC000055674051 854052159 /nfs/dbraw/zinc/05/21/59/854052159.db2.gz FIXVDGBIQVFXCM-UHFFFAOYSA-N -1 3 380.897 3.844 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000481930044 862535494 /nfs/dbraw/zinc/53/54/94/862535494.db2.gz YQNUERVLCYLPBW-UHFFFAOYSA-N -1 3 390.365 3.819 20 0 GHADHM COc1ccccc1-n1c(SCc2ncccc2[O-])nnc1N1CCCCC1 ZINC000571856950 854187029 /nfs/dbraw/zinc/18/70/29/854187029.db2.gz UBLKYJPONKNOFU-UHFFFAOYSA-N -1 3 397.504 3.659 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccn1 ZINC000112496179 854232722 /nfs/dbraw/zinc/23/27/22/854232722.db2.gz NGNKFJBEUOMYKH-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H](C)CC1CC1 ZINC000112689969 854292156 /nfs/dbraw/zinc/29/21/56/854292156.db2.gz YJEBHMRWWIIWQB-CQSZACIVSA-N -1 3 390.480 3.853 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2nc(-c3ccccc3)no2)sc1Cl ZINC000473938051 854343410 /nfs/dbraw/zinc/34/34/10/854343410.db2.gz OOCYZYJTUPNCQU-LLVKDONJSA-N -1 3 397.909 3.842 20 0 GHADHM CN(C(=O)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)C1CCCCC1 ZINC000572420912 854485165 /nfs/dbraw/zinc/48/51/65/854485165.db2.gz NPPZOTRWAYTKLS-UHFFFAOYSA-N -1 3 394.475 3.717 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000588839784 854542455 /nfs/dbraw/zinc/54/24/55/854542455.db2.gz HBIAIVZJUKKGSP-UHFFFAOYSA-N -1 3 381.457 3.681 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1F ZINC000068199879 854559513 /nfs/dbraw/zinc/55/95/13/854559513.db2.gz KKYUVQLXIWCNRB-KRWDZBQOSA-N -1 3 375.425 3.663 20 0 GHADHM O=C(c1ccc(Br)cc1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000068421081 854580170 /nfs/dbraw/zinc/58/01/70/854580170.db2.gz YKQLYJUPOAJAIA-UHFFFAOYSA-N -1 3 389.293 3.503 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(Br)cc3)nc2)n1 ZINC000068658092 854605075 /nfs/dbraw/zinc/60/50/75/854605075.db2.gz IIUQDMCWQQZTHE-UHFFFAOYSA-N -1 3 399.292 3.793 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000330428559 854670901 /nfs/dbraw/zinc/67/09/01/854670901.db2.gz URRBSHOEWQRYFC-ZWNOBZJWSA-N -1 3 396.734 3.584 20 0 GHADHM CCOc1ccccc1CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000070766214 854713882 /nfs/dbraw/zinc/71/38/82/854713882.db2.gz WOGAVJOXNCQHRK-UHFFFAOYSA-N -1 3 385.445 3.516 20 0 GHADHM CCSc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)c1 ZINC000071091942 854726646 /nfs/dbraw/zinc/72/66/46/854726646.db2.gz FWUJSKUESCPCAS-UHFFFAOYSA-N -1 3 395.502 3.541 20 0 GHADHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC001212158154 854874201 /nfs/dbraw/zinc/87/42/01/854874201.db2.gz LMLYEQSTUQHNDE-OTYXRUKQSA-N -1 3 396.734 3.584 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)c(=O)[n-]1 ZINC000572700179 854936915 /nfs/dbraw/zinc/93/69/15/854936915.db2.gz UFBLJMWZDIJMAU-UHFFFAOYSA-N -1 3 375.856 3.737 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1C ZINC000045909523 854980537 /nfs/dbraw/zinc/98/05/37/854980537.db2.gz IUDWWRJEPLWLEK-UHFFFAOYSA-N -1 3 392.496 3.878 20 0 GHADHM O=C([O-])C[C@H](CNCc1cc2cc(Br)ccc2o1)C(F)(F)F ZINC000572781742 854987571 /nfs/dbraw/zinc/98/75/71/854987571.db2.gz ZVGVLFZJVUBUFZ-SECBINFHSA-N -1 3 380.160 3.938 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)c(F)c1 ZINC000589554411 855024392 /nfs/dbraw/zinc/02/43/92/855024392.db2.gz IDMIVUUBRYPDRA-UHFFFAOYSA-N -1 3 385.482 3.827 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N(Cc1cccc(Br)c1)CC1CC1 ZINC000189447923 855094683 /nfs/dbraw/zinc/09/46/83/855094683.db2.gz YSHHGQZJPPMJEK-UHFFFAOYSA-N -1 3 376.250 3.913 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000589693794 855110387 /nfs/dbraw/zinc/11/03/87/855110387.db2.gz ISCHPANTVLOFAT-UHFFFAOYSA-N -1 3 394.858 3.759 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)C[C@@H](C)NC(=O)C3CCCCC3)[nH][n-]2)c1 ZINC000589695020 855111636 /nfs/dbraw/zinc/11/16/36/855111636.db2.gz UWSDGQFNVYWRGA-MRXNPFEDSA-N -1 3 382.508 3.529 20 0 GHADHM CO[C@H]1CC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000665056123 855168856 /nfs/dbraw/zinc/16/88/56/855168856.db2.gz FMVRLYMLJWYKMU-YJBOKZPZSA-N -1 3 388.489 3.549 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c([O-])c1 ZINC000189785803 855193810 /nfs/dbraw/zinc/19/38/10/855193810.db2.gz LYQHVODTRFNRQW-UHFFFAOYSA-N -1 3 380.366 3.807 20 0 GHADHM COc1cc(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000189910754 855229360 /nfs/dbraw/zinc/22/93/60/855229360.db2.gz LVFZBJPCXMNRQD-LLVKDONJSA-N -1 3 383.366 3.962 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2cc(Br)ccc2Cl)c(=O)[n-]1 ZINC000733008693 862660568 /nfs/dbraw/zinc/66/05/68/862660568.db2.gz WPVOGKRRFXCHPD-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM CN1CCCc2cc(NC(=O)NCc3ccc([O-])c(Br)c3)ccc21 ZINC000165994812 855361944 /nfs/dbraw/zinc/36/19/44/855361944.db2.gz PYLGIERKPXNLLU-UHFFFAOYSA-N -1 3 390.281 3.859 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c(C)c1 ZINC000055687819 855377726 /nfs/dbraw/zinc/37/77/26/855377726.db2.gz UCQFEAPMVZJFBA-UHFFFAOYSA-N -1 3 392.477 3.552 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC4(CCOCC4)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000542714130 855526635 /nfs/dbraw/zinc/52/66/35/855526635.db2.gz QAAREOMUVPITCB-CQSZACIVSA-N -1 3 382.464 3.581 20 0 GHADHM C[C@@H](CCc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482100466 862702918 /nfs/dbraw/zinc/70/29/18/862702918.db2.gz YNJZONJFODHFEA-ZDUSSCGKSA-N -1 3 377.282 3.975 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccccc2-n2cccn2)[nH][n-]1 ZINC000605022044 862714141 /nfs/dbraw/zinc/71/41/41/862714141.db2.gz MDJJTMWRGWRDOU-UHFFFAOYSA-N -1 3 393.834 3.599 20 0 GHADHM COc1c(Br)cccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417623088 855753899 /nfs/dbraw/zinc/75/38/99/855753899.db2.gz JDYYQMDHPUQZRA-HOCLYGCPSA-N -1 3 376.250 3.861 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000624755343 855925345 /nfs/dbraw/zinc/92/53/45/855925345.db2.gz XHYMNJKFYOURRU-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000624755343 855925351 /nfs/dbraw/zinc/92/53/51/855925351.db2.gz XHYMNJKFYOURRU-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@@H](C2CC2)C1 ZINC000542807243 855938863 /nfs/dbraw/zinc/93/88/63/855938863.db2.gz DYYZLZFFVUXZAP-CTNGQTDRSA-N -1 3 378.472 3.512 20 0 GHADHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000591396554 855980596 /nfs/dbraw/zinc/98/05/96/855980596.db2.gz MPLRIBPIXQCBJL-UHFFFAOYSA-N -1 3 390.324 3.566 20 0 GHADHM Cc1ccc2c(Cl)c(C(=O)NCCNC(=O)c3ccc([O-])cc3)sc2c1 ZINC000591434215 856006920 /nfs/dbraw/zinc/00/69/20/856006920.db2.gz UIXCANRTFLHFHW-UHFFFAOYSA-N -1 3 388.876 3.729 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)cc1 ZINC000904974034 856093491 /nfs/dbraw/zinc/09/34/91/856093491.db2.gz ASHWMIBYXGQLIP-UHFFFAOYSA-N -1 3 389.380 3.855 20 0 GHADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485106865 856118058 /nfs/dbraw/zinc/11/80/58/856118058.db2.gz PTAVMTYGSRGSOM-ZDUSSCGKSA-N -1 3 390.399 3.827 20 0 GHADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485106865 856118064 /nfs/dbraw/zinc/11/80/64/856118064.db2.gz PTAVMTYGSRGSOM-ZDUSSCGKSA-N -1 3 390.399 3.827 20 0 GHADHM O=C(Cc1cnn(-c2ccccc2)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485128627 856128284 /nfs/dbraw/zinc/12/82/84/856128284.db2.gz XBBMYEJWJZBTAK-UHFFFAOYSA-N -1 3 384.399 3.585 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NCc1c(F)cccc1Cl ZINC000482144311 862760100 /nfs/dbraw/zinc/76/01/00/862760100.db2.gz UWRIXLSKKWNVGI-UHFFFAOYSA-N -1 3 397.635 3.633 20 0 GHADHM COc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1NC(=O)c1cccnc1 ZINC000031447589 856168692 /nfs/dbraw/zinc/16/86/92/856168692.db2.gz UGYOWQAJPLRRAW-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccsc1 ZINC000671672380 856190540 /nfs/dbraw/zinc/19/05/40/856190540.db2.gz WDDHAPZPVDOHGN-BRPSZJMVSA-N -1 3 381.363 3.936 20 0 GHADHM O=S(=O)([N-]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccsc1 ZINC000671672381 856190682 /nfs/dbraw/zinc/19/06/82/856190682.db2.gz WDDHAPZPVDOHGN-HTQZYQBOSA-N -1 3 381.363 3.936 20 0 GHADHM O=C(Nc1cc(Cl)[nH]n1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760856237 856200165 /nfs/dbraw/zinc/20/01/65/856200165.db2.gz PGCNCILZWFJOGT-UHFFFAOYSA-N -1 3 380.791 3.949 20 0 GHADHM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000674409760 856257784 /nfs/dbraw/zinc/25/77/84/856257784.db2.gz QHFJRODLBUOSHZ-UHFFFAOYSA-N -1 3 376.478 3.579 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000033181437 856282299 /nfs/dbraw/zinc/28/22/99/856282299.db2.gz ZQGYSJLAOIYHNZ-ZBFHGGJFSA-N -1 3 390.480 3.935 20 0 GHADHM CCc1nc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)nn1-c1ccccc1 ZINC000605089724 862777922 /nfs/dbraw/zinc/77/79/22/862777922.db2.gz NDHOEHHMIYBPLF-UHFFFAOYSA-N -1 3 396.472 3.575 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000507815580 856317283 /nfs/dbraw/zinc/31/72/83/856317283.db2.gz RIIAOQIAPQVDGL-DOMZBBRYSA-N -1 3 379.888 3.594 20 0 GHADHM C[C@@H](CCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)NC(=O)OC(C)(C)C ZINC000765924910 856390312 /nfs/dbraw/zinc/39/03/12/856390312.db2.gz BWVWJHQUGTYJFE-LBPRGKRZSA-N -1 3 399.451 3.850 20 0 GHADHM Cc1nc(C)c(CC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(=O)[n-]1 ZINC000482185146 862797161 /nfs/dbraw/zinc/79/71/61/862797161.db2.gz YDDDADVKBKYPTF-UHFFFAOYSA-N -1 3 399.800 3.819 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)ccc1C ZINC000172503406 856459605 /nfs/dbraw/zinc/45/96/05/856459605.db2.gz WJHATWUEGQFGNM-UHFFFAOYSA-N -1 3 387.505 3.663 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CN1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000905740693 856534886 /nfs/dbraw/zinc/53/48/86/856534886.db2.gz YEXHWJPCOCRISA-UHFFFAOYSA-N -1 3 394.393 3.986 20 0 GHADHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1)c1ccccc1 ZINC000507918769 856665932 /nfs/dbraw/zinc/66/59/32/856665932.db2.gz GYCXGFOHPULPFQ-SFHVURJKSA-N -1 3 387.457 3.748 20 0 GHADHM Cc1cc([C@@H]2CCCN2C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)no1 ZINC000905879935 856682855 /nfs/dbraw/zinc/68/28/55/856682855.db2.gz GTTABRWZEDRONB-LBPRGKRZSA-N -1 3 378.454 3.764 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1ccco1 ZINC000427801912 856741174 /nfs/dbraw/zinc/74/11/74/856741174.db2.gz JWAUDHHVALXBFJ-LJQANCHMSA-N -1 3 375.421 3.804 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@H](C)Cc3ccc(C)cc3)c(=O)c2c(OC)c1 ZINC000625735430 856800104 /nfs/dbraw/zinc/80/01/04/856800104.db2.gz BSVFKFRPUPQAOT-OAHLLOKOSA-N -1 3 394.471 3.557 20 0 GHADHM CCc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)ccc1F ZINC001128853705 856860638 /nfs/dbraw/zinc/86/06/38/856860638.db2.gz LMQHQHFKERCCNP-UHFFFAOYSA-N -1 3 396.459 3.856 20 0 GHADHM CCCCc1nc(NC(=O)C[C@H]2OCCc3ccccc32)c(C(=O)OCC)[n-]1 ZINC000485664804 856924292 /nfs/dbraw/zinc/92/42/92/856924292.db2.gz CZNYJBPTYCAVCS-MRXNPFEDSA-N -1 3 385.464 3.572 20 0 GHADHM Cc1cc([C@H]2CCCN2C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)on1 ZINC000906199069 856925140 /nfs/dbraw/zinc/92/51/40/856925140.db2.gz FPCPVGVTLXQWSS-LLVKDONJSA-N -1 3 378.454 3.764 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C2CC2)n1 ZINC000173461597 856943448 /nfs/dbraw/zinc/94/34/48/856943448.db2.gz SFENAAZVSMVSIZ-LLVKDONJSA-N -1 3 393.353 3.705 20 0 GHADHM O=c1[n-]nc(SCCCc2ccc(C(F)(F)F)cc2)n1C[C@H]1CCCO1 ZINC000674045744 862856389 /nfs/dbraw/zinc/85/63/89/862856389.db2.gz MLHGWOWYSSTHFY-CQSZACIVSA-N -1 3 387.427 3.906 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(-c3ccccc3)no2)c(C(=O)OCC)[n-]1 ZINC000485697725 856970389 /nfs/dbraw/zinc/97/03/89/856970389.db2.gz CMLVNNZEBDAYMU-UHFFFAOYSA-N -1 3 382.420 3.836 20 0 GHADHM COc1ccc(C2(NC(=O)c3cc([O-])ccc3Cl)CCOCC2)cc1F ZINC000508177570 857035912 /nfs/dbraw/zinc/03/59/12/857035912.db2.gz RUWCTPSTIMXFIB-UHFFFAOYSA-N -1 3 379.815 3.629 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000112273657 857117875 /nfs/dbraw/zinc/11/78/75/857117875.db2.gz OIFWNFLRZOTPBX-KBPBESRZSA-N -1 3 395.297 3.522 20 0 GHADHM CCCCCN(CCCOC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000508284172 857134487 /nfs/dbraw/zinc/13/44/87/857134487.db2.gz XYQATKIIGYLFTJ-UHFFFAOYSA-N -1 3 387.318 3.893 20 0 GHADHM O=c1[n-]c(CN2CCC(COc3ccccc3)CC2)nc2c3ccccc3oc21 ZINC000112698310 857186099 /nfs/dbraw/zinc/18/60/99/857186099.db2.gz YNDXRIFILHEKMI-UHFFFAOYSA-N -1 3 389.455 3.960 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc2cccc(Cl)c2s1 ZINC001128209810 857258284 /nfs/dbraw/zinc/25/82/84/857258284.db2.gz IJPVWRLLWURXCY-UHFFFAOYSA-N -1 3 392.820 3.708 20 0 GHADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Br)cc1 ZINC000058311101 857284244 /nfs/dbraw/zinc/28/42/44/857284244.db2.gz JVABAGGBQUGFJH-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM Cc1noc(C)c1CO[C@H]1CCN(c2c(C(=O)[O-])cnc3c(C)cc(C)cc32)C1 ZINC000569248961 857344031 /nfs/dbraw/zinc/34/40/31/857344031.db2.gz UVTIJIYMQCXKDW-INIZCTEOSA-N -1 3 395.459 3.950 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000027683660 857357065 /nfs/dbraw/zinc/35/70/65/857357065.db2.gz JBYBCHBKILVTEW-UHFFFAOYSA-N -1 3 389.455 3.611 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCO[C@@H](c3cccs3)C2)s1 ZINC000907001205 857425291 /nfs/dbraw/zinc/42/52/91/857425291.db2.gz GIDLIENHUCJQJZ-LLVKDONJSA-N -1 3 395.506 3.765 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccn(C3CCCC3)n2)s1 ZINC000907071565 857460947 /nfs/dbraw/zinc/46/09/47/857460947.db2.gz RVKURCVFIQEDHW-UHFFFAOYSA-N -1 3 391.497 3.732 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cs1 ZINC000593301638 857462116 /nfs/dbraw/zinc/46/21/16/857462116.db2.gz ADWNGJXTJIQKAW-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000060950076 857489771 /nfs/dbraw/zinc/48/97/71/857489771.db2.gz XWSHCQXWSHDYOX-UHFFFAOYSA-N -1 3 381.860 3.506 20 0 GHADHM Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000574278456 857492195 /nfs/dbraw/zinc/49/21/95/857492195.db2.gz JTBPJMQHZWLRPO-BTYIYWSLSA-N -1 3 393.443 3.568 20 0 GHADHM O=C([N-][C@H](c1cccnc1)C1CC1)C(F)(F)c1ncccc1Br ZINC000907150429 857502640 /nfs/dbraw/zinc/50/26/40/857502640.db2.gz PJJZDNMDLBHZHX-ZDUSSCGKSA-N -1 3 382.208 3.598 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC)c2ccccc2F)c1 ZINC001212374194 857513285 /nfs/dbraw/zinc/51/32/85/857513285.db2.gz RMDYQVDABQDOET-INIZCTEOSA-N -1 3 383.416 3.571 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282262460 857590691 /nfs/dbraw/zinc/59/06/91/857590691.db2.gz QXVOFKKRYPCXQA-GFCCVEGCSA-N -1 3 395.438 3.530 20 0 GHADHM CO[C@@H]1Cc2ccc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)cc2C1 ZINC000907325708 857593905 /nfs/dbraw/zinc/59/39/05/857593905.db2.gz FNQRBHCHTKRMKR-CQSZACIVSA-N -1 3 389.477 3.856 20 0 GHADHM Cc1cnc([C@@H](C)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000907366381 857605838 /nfs/dbraw/zinc/60/58/38/857605838.db2.gz ILEVEPMGCZYJAB-VIFPVBQESA-N -1 3 382.511 3.789 20 0 GHADHM COc1cc(-c2nc(COC(=O)c3cc(-c4ccco4)[n-]n3)cs2)ccc1O ZINC000733435395 862940935 /nfs/dbraw/zinc/94/09/35/862940935.db2.gz ZPCZIESJYARDGR-UHFFFAOYSA-N -1 3 397.412 3.864 20 0 GHADHM COc1cc(-c2nc(COC(=O)c3cc(-c4ccco4)n[n-]3)cs2)ccc1O ZINC000733435395 862940947 /nfs/dbraw/zinc/94/09/47/862940947.db2.gz ZPCZIESJYARDGR-UHFFFAOYSA-N -1 3 397.412 3.864 20 0 GHADHM CC(=O)Nc1c(C)ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C ZINC000676123756 857751335 /nfs/dbraw/zinc/75/13/35/857751335.db2.gz AQCMGUFZDGUTJS-UHFFFAOYSA-N -1 3 381.407 3.803 20 0 GHADHM O=c1cc(C[S@](=O)Cc2ccn(C3CCCC3)n2)nc(-c2ccccc2)[n-]1 ZINC000521216063 857752619 /nfs/dbraw/zinc/75/26/19/857752619.db2.gz QXIDJTVHQNMWSO-HHHXNRCGSA-N -1 3 382.489 3.610 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cnc(C2CC2)[n-]c1=O ZINC000907773380 857769562 /nfs/dbraw/zinc/76/95/62/857769562.db2.gz SPWICTVKEZMCGS-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM CC(C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)c(Cl)c1 ZINC000065276662 857784661 /nfs/dbraw/zinc/78/46/61/857784661.db2.gz ARIXCGDVSKLSJD-UHFFFAOYSA-N -1 3 392.242 3.934 20 0 GHADHM CN(C(=O)CN1CCC[C@H](CC(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000676232592 857797643 /nfs/dbraw/zinc/79/76/43/857797643.db2.gz DHRLKIRFHSYNEO-UZUQRXQVSA-N -1 3 398.478 3.560 20 0 GHADHM CC(C)(C)OC(=O)CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCC1 ZINC000594050638 857854269 /nfs/dbraw/zinc/85/42/69/857854269.db2.gz BOADZUJRABMMIW-UHFFFAOYSA-N -1 3 383.448 3.778 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486564167 857864381 /nfs/dbraw/zinc/86/43/81/857864381.db2.gz UHZAGVPNJQQSRI-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000065873697 857868648 /nfs/dbraw/zinc/86/86/48/857868648.db2.gz FXOVXGRSXOAOKM-UHFFFAOYSA-N -1 3 383.245 3.710 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000676416338 857872498 /nfs/dbraw/zinc/87/24/98/857872498.db2.gz LKQPKZQHKJEWNP-HZPDHXFCSA-N -1 3 384.270 3.597 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(O[C@H]2CCOC2)cc1 ZINC000574515720 858065556 /nfs/dbraw/zinc/06/55/56/858065556.db2.gz JFEZKOKPLXHKSM-AWEZNQCLSA-N -1 3 378.222 3.575 20 0 GHADHM Cc1cccc(Oc2ccccc2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000442772070 858130930 /nfs/dbraw/zinc/13/09/30/858130930.db2.gz UTQFXJUEJANQJU-UHFFFAOYSA-N -1 3 376.338 3.854 20 0 GHADHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442896146 858215220 /nfs/dbraw/zinc/21/52/20/858215220.db2.gz BKVGMLNYVITWQG-UHFFFAOYSA-N -1 3 388.411 3.546 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@H](OC)C3CCCCC3)[n-]c(=O)c12 ZINC000594888278 858308429 /nfs/dbraw/zinc/30/84/29/858308429.db2.gz VPXUPOFXMJVHHK-CQSZACIVSA-N -1 3 391.493 3.513 20 0 GHADHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212504724 858327818 /nfs/dbraw/zinc/32/78/18/858327818.db2.gz NNPQGRWLNRZIAV-CQSZACIVSA-N -1 3 388.942 3.539 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000443104166 858362075 /nfs/dbraw/zinc/36/20/75/858362075.db2.gz DJJVYWQCVDVEHG-ZDUSSCGKSA-N -1 3 391.464 3.531 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(Cl)s1 ZINC000443122429 858388412 /nfs/dbraw/zinc/38/84/12/858388412.db2.gz GIFXDTDBFJUFFH-MRVPVSSYSA-N -1 3 379.912 3.679 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCN1Cc1ccccc1 ZINC000443133708 858408589 /nfs/dbraw/zinc/40/85/89/858408589.db2.gz NGXMKQLXNJUFSH-QGZVFWFLSA-N -1 3 388.895 3.791 20 0 GHADHM CCCN(C)[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000665311673 858510635 /nfs/dbraw/zinc/51/06/35/858510635.db2.gz UXSSVUDGSZCLRV-QZTJIDSGSA-N -1 3 395.931 3.523 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000521991249 858515265 /nfs/dbraw/zinc/51/52/65/858515265.db2.gz CKDWQBZEXYTLSN-MRXNPFEDSA-N -1 3 399.454 3.617 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000521991249 858515270 /nfs/dbraw/zinc/51/52/70/858515270.db2.gz CKDWQBZEXYTLSN-MRXNPFEDSA-N -1 3 399.454 3.617 20 0 GHADHM Cc1ccc2c(c1)CCN(C(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)C2 ZINC000522052801 858560204 /nfs/dbraw/zinc/56/02/04/858560204.db2.gz UVWGMAKMCAIPBE-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c(F)c1 ZINC000443363119 858609378 /nfs/dbraw/zinc/60/93/78/858609378.db2.gz UVSJYQQAHGOMJE-NSHDSACASA-N -1 3 385.844 3.614 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000443404269 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CCOCC[C@@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000904067602 860090660 /nfs/dbraw/zinc/09/06/60/860090660.db2.gz IHBYJATVUVITCS-GFCCVEGCSA-N -1 3 386.926 3.917 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCCCC[C@H]1c1ccncc1 ZINC000499882238 860094665 /nfs/dbraw/zinc/09/46/65/860094665.db2.gz ZHDWDGGLWKWBAV-SFHVURJKSA-N -1 3 383.398 3.959 20 0 GHADHM C/C(=C\c1ccccc1)CN[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000904072100 860096733 /nfs/dbraw/zinc/09/67/33/860096733.db2.gz TVQGWSKNCHXZRO-ACUZNPPPSA-N -1 3 394.515 3.516 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000727540692 860129615 /nfs/dbraw/zinc/12/96/15/860129615.db2.gz XSDJZFLWSCMDEG-KRWDZBQOSA-N -1 3 391.514 3.506 20 0 GHADHM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc([O-])c2ccccc2c1 ZINC000525934791 860136352 /nfs/dbraw/zinc/13/63/52/860136352.db2.gz AQMZRXQVFPKOBG-UHFFFAOYSA-N -1 3 387.338 3.806 20 0 GHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000280832902 860147755 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CCC(CC)c1nnc([N-]C(=O)c2cn(-c3ccc(Cl)cc3)nn2)s1 ZINC000024845559 860349916 /nfs/dbraw/zinc/34/99/16/860349916.db2.gz RUMYCMUCPORGJS-UHFFFAOYSA-N -1 3 376.873 3.928 20 0 GHADHM Cc1cccc(OCCCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000765650350 860373933 /nfs/dbraw/zinc/37/39/33/860373933.db2.gz ZPGNIKWOCQXBGS-UHFFFAOYSA-N -1 3 393.281 3.731 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000904400671 860405780 /nfs/dbraw/zinc/40/57/80/860405780.db2.gz KCLTZLUZBLAESX-XLIONFOSSA-N -1 3 381.900 3.975 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000171212859 860422965 /nfs/dbraw/zinc/42/29/65/860422965.db2.gz JCBYEDVQWMHUAW-FPOVZHCZSA-N -1 3 392.499 3.793 20 0 GHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603043685 860454607 /nfs/dbraw/zinc/45/46/07/860454607.db2.gz NOWPDYONEPLKIM-GHMZBOCLSA-N -1 3 384.855 3.707 20 0 GHADHM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896423912 860741832 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O=C1[N-]C(=O)/C(=C/C2=Cc3cc(Br)ccc3OC2)c2ccccc21 ZINC000920065669 881586453 /nfs/dbraw/zinc/58/64/53/881586453.db2.gz DQHAOWNFEAIYLQ-LZYBPNLTSA-N -1 3 382.213 3.579 20 0 GHADHM O=C(Nc1ccc2c(c1)C=CCCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000667854857 860872779 /nfs/dbraw/zinc/87/27/79/860872779.db2.gz RTTGRMWDXJANRS-UHFFFAOYSA-N -1 3 391.471 3.732 20 0 GHADHM CCc1c(C(=O)Nc2cc(Br)ccc2[O-])cnn1-c1ccccn1 ZINC000176434984 860874391 /nfs/dbraw/zinc/87/43/91/860874391.db2.gz OAPYPWPYNUHGMY-UHFFFAOYSA-N -1 3 387.237 3.550 20 0 GHADHM Cc1ccc(-c2noc(COC(=O)c3cccc(Br)c3[O-])n2)cc1 ZINC000730363849 861072121 /nfs/dbraw/zinc/07/21/21/861072121.db2.gz FSWBKOKAQRMOJV-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])cc1C ZINC000730365959 861074755 /nfs/dbraw/zinc/07/47/55/861074755.db2.gz XJLOOJDNWZMMKA-LBPRGKRZSA-N -1 3 392.249 3.956 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)c(=O)c2c(OC)c1 ZINC000625208068 861165159 /nfs/dbraw/zinc/16/51/59/861165159.db2.gz BXBGMODOIMSFIY-WMLDXEAASA-N -1 3 386.492 3.880 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000730593935 861186292 /nfs/dbraw/zinc/18/62/92/861186292.db2.gz VQQVFPOLDRGCHD-UHFFFAOYSA-N -1 3 376.497 3.987 20 0 GHADHM Cc1noc(COc2ccc(NCc3cc(=O)oc4c(C)c([O-])ccc34)cc2)n1 ZINC000114502301 881625872 /nfs/dbraw/zinc/62/58/72/881625872.db2.gz VEDMCRIZTAJXOS-UHFFFAOYSA-N -1 3 393.399 3.690 20 0 GHADHM COc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000482465639 863176429 /nfs/dbraw/zinc/17/64/29/863176429.db2.gz BDPQMRKRMOGTMC-LLVKDONJSA-N -1 3 379.254 3.724 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCSCC2)c1)c1cccc(Cl)c1 ZINC000444043517 863217757 /nfs/dbraw/zinc/21/77/57/863217757.db2.gz NEZMMWARNWVSHM-UHFFFAOYSA-N -1 3 382.938 3.690 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000605889194 863270512 /nfs/dbraw/zinc/27/05/12/863270512.db2.gz BUPVWANOZOXTHO-HXUWFJFHSA-N -1 3 396.462 3.542 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000444123244 863490968 /nfs/dbraw/zinc/49/09/68/863490968.db2.gz BTIQPRLKVPZMLH-DOMZBBRYSA-N -1 3 379.888 3.594 20 0 GHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000606472901 863654062 /nfs/dbraw/zinc/65/40/62/863654062.db2.gz FDEPBYQIIVBDLV-RHSMWYFYSA-N -1 3 397.541 3.889 20 0 GHADHM COc1ccc(Br)c2[nH]c(C(=O)NCc3ccc([O-])c(F)c3)cc21 ZINC000606537258 863693917 /nfs/dbraw/zinc/69/39/17/863693917.db2.gz LPTPUZIBSZHVGO-UHFFFAOYSA-N -1 3 393.212 3.714 20 0 GHADHM CCc1noc(CC)c1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000532290752 881692726 /nfs/dbraw/zinc/69/27/26/881692726.db2.gz FIBDUEUNEPGMRG-UHFFFAOYSA-N -1 3 381.436 3.592 20 0 GHADHM CCc1cccc(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1[O-] ZINC000621231760 863929204 /nfs/dbraw/zinc/92/92/04/863929204.db2.gz MDLQJGWRCAAOHN-UHFFFAOYSA-N -1 3 381.407 3.557 20 0 GHADHM CC[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000920126379 881713837 /nfs/dbraw/zinc/71/38/37/881713837.db2.gz PKKAHXCMELIDHB-AWEZNQCLSA-N -1 3 377.462 3.760 20 0 GHADHM CCOC(=O)C(=Cc1cccc(COC)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000172816075 863984991 /nfs/dbraw/zinc/98/49/91/863984991.db2.gz LMJMTOZNHMSKFP-YBEGLDIGSA-N -1 3 398.484 3.852 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000172892241 864063370 /nfs/dbraw/zinc/06/33/70/864063370.db2.gz WFTPKWDDIYKSBT-UHFFFAOYSA-N -1 3 378.469 3.587 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCOCC1)c1cccc(Cl)c1F ZINC000734505905 864266108 /nfs/dbraw/zinc/26/61/08/864266108.db2.gz VONIFLDVQMSCDR-SFHVURJKSA-N -1 3 383.872 3.925 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)c1 ZINC000480212059 864274996 /nfs/dbraw/zinc/27/49/96/864274996.db2.gz FGNXWDUKPCDRFC-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000184285060 864322574 /nfs/dbraw/zinc/32/25/74/864322574.db2.gz LNZZSEORHAERKX-MRXNPFEDSA-N -1 3 394.381 3.674 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(OCc2cccnc2)cc1 ZINC000554442261 864351115 /nfs/dbraw/zinc/35/11/15/864351115.db2.gz VCCITZYGQSETPN-INIZCTEOSA-N -1 3 387.443 3.613 20 0 GHADHM CCCCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000734676911 864378631 /nfs/dbraw/zinc/37/86/31/864378631.db2.gz DPQXDXHWWGPLFP-IBGZPJMESA-N -1 3 389.540 3.855 20 0 GHADHM COc1cccc(N2CC[C@H](CNC(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)c1 ZINC000621826885 864474087 /nfs/dbraw/zinc/47/40/87/864474087.db2.gz CRMBAHHPDGBGCA-CYBMUJFWSA-N -1 3 394.393 3.676 20 0 GHADHM CC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000621903241 864583486 /nfs/dbraw/zinc/58/34/86/864583486.db2.gz XWPNULCVPLCFDH-CQSZACIVSA-N -1 3 382.386 3.610 20 0 GHADHM COc1cccc([C@H]2CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CCO2)c1 ZINC000621919540 864596569 /nfs/dbraw/zinc/59/65/69/864596569.db2.gz LLGBQYPBOGHUME-QGZVFWFLSA-N -1 3 381.350 3.633 20 0 GHADHM COCCCOc1cccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000621928466 864611680 /nfs/dbraw/zinc/61/16/80/864611680.db2.gz BSOGOMWIDFJVHT-UHFFFAOYSA-N -1 3 383.366 3.756 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000621930434 864614777 /nfs/dbraw/zinc/61/47/77/864614777.db2.gz RYKCJUSUDYBEQV-IBGZPJMESA-N -1 3 377.362 3.725 20 0 GHADHM O=S(=O)([N-]CC1CCN(c2ccccc2)CC1)c1cc(F)ccc1Cl ZINC000480437496 864639896 /nfs/dbraw/zinc/63/98/96/864639896.db2.gz KGRODRKIGXYQQX-UHFFFAOYSA-N -1 3 382.888 3.674 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c(F)cccc3-n3cccn3)cc2)co1 ZINC000735267893 864708423 /nfs/dbraw/zinc/70/84/23/864708423.db2.gz LXQAGJXNERDYPK-UHFFFAOYSA-N -1 3 398.419 3.776 20 0 GHADHM Cc1nc(C)c(CC(=O)OCC/C=C\c2ccc(Br)cc2)c(=O)[n-]1 ZINC000735343150 864758813 /nfs/dbraw/zinc/75/88/13/864758813.db2.gz PIQTUDUDVUXXPY-HYXAFXHYSA-N -1 3 391.265 3.751 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)c1ccncc1 ZINC000671176145 864811248 /nfs/dbraw/zinc/81/12/48/864811248.db2.gz QVJWHMZTPLTZRU-JTQLQIEISA-N -1 3 389.702 3.580 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000607885743 864839891 /nfs/dbraw/zinc/83/98/91/864839891.db2.gz HCUHMYBMUAMWKP-LLVKDONJSA-N -1 3 386.395 3.819 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1CC(C)C1 ZINC000622242111 864872211 /nfs/dbraw/zinc/87/22/11/864872211.db2.gz HAYUKIQKDXCOAM-UHFFFAOYSA-N -1 3 390.480 3.711 20 0 GHADHM FC(F)(F)C1CCN(C2CC(N=c3[n-]nc(-c4ccccc4)s3)C2)CC1 ZINC000480565552 864875283 /nfs/dbraw/zinc/87/52/83/864875283.db2.gz VJWZJQBHJRAYOY-UHFFFAOYSA-N -1 3 382.455 3.844 20 0 GHADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)Nc1ccc2[nH]ccc2c1 ZINC000184715804 864879576 /nfs/dbraw/zinc/87/95/76/864879576.db2.gz NWDLQFUUCBQMLJ-UHFFFAOYSA-N -1 3 391.200 3.536 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000735677685 864908096 /nfs/dbraw/zinc/90/80/96/864908096.db2.gz NGCJERIHIWLBMQ-MFKMUULPSA-N -1 3 381.325 3.508 20 0 GHADHM Cc1ccc([C@@H](NCc2nc(C)ccc2[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000608067926 864959278 /nfs/dbraw/zinc/95/92/78/864959278.db2.gz MCOOCZFRJWOAOZ-JOCHJYFZSA-N -1 3 396.512 3.687 20 0 GHADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c([O-])c1 ZINC000622430988 864996027 /nfs/dbraw/zinc/99/60/27/864996027.db2.gz PZZWVOTVWNRIJO-GFCCVEGCSA-N -1 3 399.800 3.777 20 0 GHADHM CC[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)N1CCc2ccccc2C1 ZINC000735880006 865016051 /nfs/dbraw/zinc/01/60/51/865016051.db2.gz KTKISUOOPBHQGB-QGZVFWFLSA-N -1 3 381.501 3.683 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)N2CCCC2)cc1 ZINC000735856579 865024700 /nfs/dbraw/zinc/02/47/00/865024700.db2.gz WNWKVNIXRYGBCL-GOSISDBHSA-N -1 3 381.501 3.992 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)C2CCC(c3ccccc3)CC2)o1 ZINC000173811320 865107962 /nfs/dbraw/zinc/10/79/62/865107962.db2.gz SXAAABPPIKYWMB-UHFFFAOYSA-N -1 3 397.519 3.856 20 0 GHADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)Cc2ccccc21 ZINC000736289855 865177918 /nfs/dbraw/zinc/17/79/18/865177918.db2.gz OFMULVBUZURZLN-NSHDSACASA-N -1 3 378.386 3.817 20 0 GHADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)Cc2ccccc21 ZINC000736289855 865177927 /nfs/dbraw/zinc/17/79/27/865177927.db2.gz OFMULVBUZURZLN-NSHDSACASA-N -1 3 378.386 3.817 20 0 GHADHM Cc1ccc(OCCCC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(Cl)c1 ZINC000622739427 865191065 /nfs/dbraw/zinc/19/10/65/865191065.db2.gz IYQWKBREADAUOE-UHFFFAOYSA-N -1 3 377.872 3.663 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cnn(-c4ccccc4)c3)nc2)n1 ZINC000301168015 865202797 /nfs/dbraw/zinc/20/27/97/865202797.db2.gz IOMHPKRYFAWCSP-UHFFFAOYSA-N -1 3 386.459 3.629 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736427270 865204184 /nfs/dbraw/zinc/20/41/84/865204184.db2.gz WKRSBCLNTLLUEU-INIZCTEOSA-N -1 3 380.521 3.955 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736427270 865204205 /nfs/dbraw/zinc/20/42/05/865204205.db2.gz WKRSBCLNTLLUEU-INIZCTEOSA-N -1 3 380.521 3.955 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1Br ZINC000608341665 865237871 /nfs/dbraw/zinc/23/78/71/865237871.db2.gz KVBRBKUIUWKLTM-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000301248010 865244929 /nfs/dbraw/zinc/24/49/29/865244929.db2.gz BGQDJVNCZYTBCK-MRXNPFEDSA-N -1 3 399.495 3.618 20 0 GHADHM C[C@@H](C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)C(F)(F)F ZINC000608359097 865255920 /nfs/dbraw/zinc/25/59/20/865255920.db2.gz LCGSKARWDLLZER-LURJTMIESA-N -1 3 380.139 3.537 20 0 GHADHM COc1ccc([C@@H](N/C=C2/C(=O)[N-]C(=O)c3ccccc32)c2ccc(C)cc2)cc1 ZINC000920178172 881853089 /nfs/dbraw/zinc/85/30/89/881853089.db2.gz PIOMLEMDSOZOGG-DWFNGTSHSA-N -1 3 398.462 3.994 20 0 GHADHM CCCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000171557984 865293687 /nfs/dbraw/zinc/29/36/87/865293687.db2.gz MLLXYMHVRDPUEL-UHFFFAOYSA-N -1 3 376.453 3.641 20 0 GHADHM Cc1nc(-c2ccc(NC[C@@H](c3c(F)cccc3F)N(C)C)nc2)[n-]c(=O)c1C ZINC000301409261 865343955 /nfs/dbraw/zinc/34/39/55/865343955.db2.gz XCRROHGHAOSPCD-KRWDZBQOSA-N -1 3 399.445 3.854 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000737239338 865381323 /nfs/dbraw/zinc/38/13/23/865381323.db2.gz CPRNOBXDAHJXCM-CYBMUJFWSA-N -1 3 393.476 3.706 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2nc(Cc3ccccc3)no2)n1 ZINC000737239338 865381341 /nfs/dbraw/zinc/38/13/41/865381341.db2.gz CPRNOBXDAHJXCM-CYBMUJFWSA-N -1 3 393.476 3.706 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)COCc3ccccc3)nc2)n1 ZINC000171945092 865423300 /nfs/dbraw/zinc/42/33/00/865423300.db2.gz CVRLNCLNMVDXAQ-MRXNPFEDSA-N -1 3 378.476 3.659 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CCC1 ZINC000480864145 865432805 /nfs/dbraw/zinc/43/28/05/865432805.db2.gz HNGYRKDPAZGZAQ-UHFFFAOYSA-N -1 3 396.372 3.694 20 0 GHADHM C[C@H](NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21)c1ccccc1Cl ZINC000738294364 865522620 /nfs/dbraw/zinc/52/26/20/865522620.db2.gz KKTNQWHJHSXPKR-HNNXBMFYSA-N -1 3 396.874 3.961 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000738377447 865533944 /nfs/dbraw/zinc/53/39/44/865533944.db2.gz VQHUYVQJNNVTSA-JTQLQIEISA-N -1 3 378.803 3.663 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001168143003 881885564 /nfs/dbraw/zinc/88/55/64/881885564.db2.gz SMJJHYTWYFRESI-UHFFFAOYSA-N -1 3 394.385 3.828 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000065269161 865618161 /nfs/dbraw/zinc/61/81/61/865618161.db2.gz HHMHHMUFVOKAKN-UHFFFAOYSA-N -1 3 377.293 3.854 20 0 GHADHM CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000174255283 865646599 /nfs/dbraw/zinc/64/65/99/865646599.db2.gz RUBBVAFKOXUMPN-UHFFFAOYSA-N -1 3 387.505 3.505 20 0 GHADHM O=C(CCc1cnn(-c2ccccc2)c1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892478 865706071 /nfs/dbraw/zinc/70/60/71/865706071.db2.gz RRWYLKPJNVAVED-UHFFFAOYSA-N -1 3 391.862 3.909 20 0 GHADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(OCc2ccccc2)cc1 ZINC000739384648 865710630 /nfs/dbraw/zinc/71/06/30/865710630.db2.gz KRCAHYWGFDSLKU-UHFFFAOYSA-N -1 3 379.441 3.714 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000739695556 865780113 /nfs/dbraw/zinc/78/01/13/865780113.db2.gz WDEFVBRYUMDBQQ-UHFFFAOYSA-N -1 3 387.274 3.787 20 0 GHADHM CC[C@@H](c1ccccc1)N(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000622975825 865854039 /nfs/dbraw/zinc/85/40/39/865854039.db2.gz VIHZVPLHWAHVMK-IBGZPJMESA-N -1 3 380.492 3.983 20 0 GHADHM CC(C)c1nc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(C(C)(C)C)n1 ZINC000302785731 865922604 /nfs/dbraw/zinc/92/26/04/865922604.db2.gz VSQQYWFFHPFLMO-UHFFFAOYSA-N -1 3 382.508 3.566 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623028826 865960752 /nfs/dbraw/zinc/96/07/52/865960752.db2.gz YYBHTKBYGXZKST-TXEJJXNPSA-N -1 3 386.414 3.519 20 0 GHADHM CCOc1ccc(Cl)c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000456035367 866016230 /nfs/dbraw/zinc/01/62/30/866016230.db2.gz AKBPIUYMBFCHCP-UHFFFAOYSA-N -1 3 376.840 3.511 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740811286 866029090 /nfs/dbraw/zinc/02/90/90/866029090.db2.gz ZICCNURSBPCXNB-UHFFFAOYSA-N -1 3 390.461 3.540 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)c(C)c1C ZINC000534060190 866066605 /nfs/dbraw/zinc/06/66/05/866066605.db2.gz PYCATQLAAFVQKI-UHFFFAOYSA-N -1 3 385.489 3.877 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(OC)c(OC)cc2Br)C1 ZINC000320888337 866107056 /nfs/dbraw/zinc/10/70/56/866107056.db2.gz FCWBEQGDKQWPLZ-KRWDZBQOSA-N -1 3 386.286 3.543 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH]c21 ZINC000737408721 866147430 /nfs/dbraw/zinc/14/74/30/866147430.db2.gz LBTLUQMRLLEHGP-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)c[nH]c21 ZINC000737408721 866147435 /nfs/dbraw/zinc/14/74/35/866147435.db2.gz LBTLUQMRLLEHGP-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)c1ccccn1 ZINC000121181838 881951182 /nfs/dbraw/zinc/95/11/82/881951182.db2.gz INHUDIQNVPKAOB-FQEVSTJZSA-N -1 3 386.448 3.606 20 0 GHADHM CSc1cccc(N2C[C@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)c1 ZINC000552783410 866257711 /nfs/dbraw/zinc/25/77/11/866257711.db2.gz USEOYLPWJLLPNK-LLVKDONJSA-N -1 3 376.865 3.759 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccn1 ZINC000121217981 881974287 /nfs/dbraw/zinc/97/42/87/881974287.db2.gz YKQPMQUPODRECJ-QGZVFWFLSA-N -1 3 394.905 3.873 20 0 GHADHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1F ZINC000478692413 866479224 /nfs/dbraw/zinc/47/92/24/866479224.db2.gz BAKZQUWOBYQMDN-UHFFFAOYSA-N -1 3 383.416 3.751 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)cc1Cl ZINC000153453194 866487433 /nfs/dbraw/zinc/48/74/33/866487433.db2.gz NDODEOPXIAJLRX-LBPRGKRZSA-N -1 3 398.887 3.828 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCCO[C@H]3c3ccccc3)nc2)n1 ZINC000109318401 866594881 /nfs/dbraw/zinc/59/48/81/866594881.db2.gz NMSXTAKAXRDRCF-VGSWGCGISA-N -1 3 390.487 3.974 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)s1 ZINC000478759330 866625495 /nfs/dbraw/zinc/62/54/95/866625495.db2.gz XESKLSLYMDOACL-QWHCGFSZSA-N -1 3 396.372 3.691 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000741610656 866659001 /nfs/dbraw/zinc/65/90/01/866659001.db2.gz LWOVBCJMTDKNQF-KGLIPLIRSA-N -1 3 384.517 3.553 20 0 GHADHM C[C@@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc(Br)cc1 ZINC000534386459 866662813 /nfs/dbraw/zinc/66/28/13/866662813.db2.gz AWOZUESIQCRNLY-LBPRGKRZSA-N -1 3 385.265 3.788 20 0 GHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1nc3c4ccccc4oc3c(=O)[n-]1)CCC2 ZINC000111312823 866670764 /nfs/dbraw/zinc/67/07/64/866670764.db2.gz FSOPDCLIVKVPRB-AWEZNQCLSA-N -1 3 380.473 3.944 20 0 GHADHM CCCCCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C ZINC000620427411 866748659 /nfs/dbraw/zinc/74/86/59/866748659.db2.gz WQLSBROQOWMAGL-UHFFFAOYSA-N -1 3 385.530 3.889 20 0 GHADHM CC(=O)c1ccc2c(c1)CCN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CC2 ZINC000534480476 866857251 /nfs/dbraw/zinc/85/72/51/866857251.db2.gz PECDZAGEXZXXNB-UHFFFAOYSA-N -1 3 387.439 3.885 20 0 GHADHM CC(C)N1CCN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)CC1 ZINC000183557715 866868027 /nfs/dbraw/zinc/86/80/27/866868027.db2.gz HPWBHQUKYAEVTN-IBGZPJMESA-N -1 3 388.471 3.848 20 0 GHADHM CN(CCOc1ccc(F)cc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000741882792 866877725 /nfs/dbraw/zinc/87/77/25/866877725.db2.gz HWFQSBJXWFIMLA-UHFFFAOYSA-N -1 3 377.799 3.802 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153669350 867014730 /nfs/dbraw/zinc/01/47/30/867014730.db2.gz PNQUBRPENITSSJ-VIFPVBQESA-N -1 3 386.757 3.821 20 0 GHADHM COc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000153669804 867015760 /nfs/dbraw/zinc/01/57/60/867015760.db2.gz UXXHLNHXZQTQQY-UHFFFAOYSA-N -1 3 388.895 3.621 20 0 GHADHM O=C(Nc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1)c1cccs1 ZINC000553256902 867064059 /nfs/dbraw/zinc/06/40/59/867064059.db2.gz OXSZVQOOTVBTHX-UHFFFAOYSA-N -1 3 380.429 3.626 20 0 GHADHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000153965679 867180041 /nfs/dbraw/zinc/18/00/41/867180041.db2.gz HTNNJTFJBJAMQH-UHFFFAOYSA-N -1 3 398.500 3.623 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)c1 ZINC000153969918 867183108 /nfs/dbraw/zinc/18/31/08/867183108.db2.gz XDCVMEIHQRUNSV-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](C(C)C)C3)nc(=O)c2c1C ZINC000444772729 867211460 /nfs/dbraw/zinc/21/14/60/867211460.db2.gz OLRNSTYYLMZVCU-KBPBESRZSA-N -1 3 391.537 3.899 20 0 GHADHM CN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523513181 867431788 /nfs/dbraw/zinc/43/17/88/867431788.db2.gz OYDXCGGTQDDFSY-UHFFFAOYSA-N -1 3 397.244 3.514 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1cccs1 ZINC000553462758 867495278 /nfs/dbraw/zinc/49/52/78/867495278.db2.gz INQUHTDKYDHPOX-AWEZNQCLSA-N -1 3 387.552 3.619 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)n[n-]2)o1 ZINC000479465280 867812358 /nfs/dbraw/zinc/81/23/58/867812358.db2.gz OIAIKHGKRNTHKD-UHFFFAOYSA-N -1 3 392.419 3.796 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H]2OCCc3ccccc32)[nH][n-]1 ZINC000523756467 867900739 /nfs/dbraw/zinc/90/07/39/867900739.db2.gz SEULZEGMIPPIHE-LJQANCHMSA-N -1 3 397.862 3.803 20 0 GHADHM CC[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000479528826 867925822 /nfs/dbraw/zinc/92/58/22/867925822.db2.gz GFBDJJWMOBJLSI-HDJSIYSDSA-N -1 3 393.484 3.653 20 0 GHADHM CCc1oc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)cc1C ZINC000155595953 867966028 /nfs/dbraw/zinc/96/60/28/867966028.db2.gz RPEHYDRODBHAFV-UHFFFAOYSA-N -1 3 390.383 3.793 20 0 GHADHM O=C(C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccc([O-])cc1 ZINC000457348927 868151247 /nfs/dbraw/zinc/15/12/47/868151247.db2.gz BUCPPARATPOBQN-KRWDZBQOSA-N -1 3 383.835 3.858 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000535119270 868204348 /nfs/dbraw/zinc/20/43/48/868204348.db2.gz ALDLIKUKPPMNGL-UHFFFAOYSA-N -1 3 376.460 3.786 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000156045555 868232291 /nfs/dbraw/zinc/23/22/91/868232291.db2.gz QKRRUWPUFAWIPC-AWEZNQCLSA-N -1 3 395.312 3.525 20 0 GHADHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F ZINC000128311756 868245211 /nfs/dbraw/zinc/24/52/11/868245211.db2.gz HTWJKLAUNVADNG-LBPRGKRZSA-N -1 3 390.798 3.766 20 0 GHADHM O=C(COC(=O)c1ccc(Cl)c(C(F)(F)F)c1)[N-]C(=O)c1cccs1 ZINC000747115528 882173600 /nfs/dbraw/zinc/17/36/00/882173600.db2.gz BNZHDLMUWOLSCV-UHFFFAOYSA-N -1 3 391.754 3.534 20 0 GHADHM COCCN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000479677898 868354177 /nfs/dbraw/zinc/35/41/77/868354177.db2.gz ZQQOPVWHLRRRPV-CQSZACIVSA-N -1 3 397.313 3.669 20 0 GHADHM Cc1sc(C[N-]S(=O)(=O)c2cncc(F)c2)nc1-c1ccc(Cl)cc1 ZINC000524020796 868404176 /nfs/dbraw/zinc/40/41/76/868404176.db2.gz SSYDOBPSEZNBGD-UHFFFAOYSA-N -1 3 397.884 3.785 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000428403987 868442678 /nfs/dbraw/zinc/44/26/78/868442678.db2.gz PVQDIZIRDNQCBM-ZDUSSCGKSA-N -1 3 377.849 3.546 20 0 GHADHM O=C(CN(Cc1ccccc1)c1ccccc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000535303452 868535018 /nfs/dbraw/zinc/53/50/18/868535018.db2.gz TYUFJXCWQVUDTJ-UHFFFAOYSA-N -1 3 383.455 3.539 20 0 GHADHM CCC(C)(C)[C@H]1CCc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000553991914 868570183 /nfs/dbraw/zinc/57/01/83/868570183.db2.gz BIUCQWXQVSOEGT-NSHDSACASA-N -1 3 396.534 3.933 20 0 GHADHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cn(C)c2ccccc12 ZINC000648431860 882207523 /nfs/dbraw/zinc/20/75/23/882207523.db2.gz HHDFXVHDQXLVTH-JTQLQIEISA-N -1 3 384.789 3.755 20 0 GHADHM CC(C)O[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648431263 882209197 /nfs/dbraw/zinc/20/91/97/882209197.db2.gz ORXPPQANMBYGEM-CYBMUJFWSA-N -1 3 375.778 3.626 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)cc2C)cc1OC ZINC000157456380 868659581 /nfs/dbraw/zinc/65/95/81/868659581.db2.gz ILAOLZYKGUERMN-UHFFFAOYSA-N -1 3 382.869 3.671 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C=Cc3ccc4c(c3)OCO4)c2)n1 ZINC000744218020 868672552 /nfs/dbraw/zinc/67/25/52/868672552.db2.gz VCFGZJUYBBVXAI-SOFGYWHQSA-N -1 3 376.368 3.505 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3COc4ccc(Cl)cc4C3)c2)n1 ZINC000744218323 868674351 /nfs/dbraw/zinc/67/43/51/868674351.db2.gz YHRDUZDIIQARHX-OAHLLOKOSA-N -1 3 396.830 3.968 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000479920550 868700394 /nfs/dbraw/zinc/70/03/94/868700394.db2.gz GTZBRXFHKILHHR-KRWDZBQOSA-N -1 3 391.464 3.822 20 0 GHADHM CCCc1c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[nH]c(C)c1C(C)=O ZINC000648432669 882218905 /nfs/dbraw/zinc/21/89/05/882218905.db2.gz DOPGITISCFKRNX-UHFFFAOYSA-N -1 3 390.793 3.565 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000535413786 868739152 /nfs/dbraw/zinc/73/91/52/868739152.db2.gz SQJQTOXUXMVDMH-UHFFFAOYSA-N -1 3 382.391 3.712 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c(=O)[n-]1 ZINC000479938797 868755595 /nfs/dbraw/zinc/75/55/95/868755595.db2.gz HDRKKABLNHYYGB-IBGZPJMESA-N -1 3 393.491 3.636 20 0 GHADHM COc1ccccc1[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000157867115 868784321 /nfs/dbraw/zinc/78/43/21/868784321.db2.gz HFIKFLYTXLFZQA-CQSZACIVSA-N -1 3 375.428 3.667 20 0 GHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H](O)c1ccc(C)cc1 ZINC000744420594 868808125 /nfs/dbraw/zinc/80/81/25/868808125.db2.gz OWJJBEXINDDOGW-KRWDZBQOSA-N -1 3 377.444 3.946 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(C)o1 ZINC000480000396 868883553 /nfs/dbraw/zinc/88/35/53/868883553.db2.gz SYCFGWUOHGTGCZ-OAHLLOKOSA-N -1 3 392.502 3.768 20 0 GHADHM Cc1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1 ZINC000158184469 868886471 /nfs/dbraw/zinc/88/64/71/868886471.db2.gz RIYBAYZUNVIAAC-UHFFFAOYSA-N -1 3 381.501 3.823 20 0 GHADHM COc1ccccc1SCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000158275878 868914599 /nfs/dbraw/zinc/91/45/99/868914599.db2.gz DUQRBGYZKCBZEG-UHFFFAOYSA-N -1 3 382.279 3.572 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Br)c1ccc(F)cc1F ZINC000524338456 868918645 /nfs/dbraw/zinc/91/86/45/868918645.db2.gz XVWGTCHCYKJAJE-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1ncccc1Br ZINC000793495135 882246165 /nfs/dbraw/zinc/24/61/65/882246165.db2.gz MOEFKCITUONHKS-UHFFFAOYSA-N -1 3 379.214 3.754 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Oc2ccccc2)nc1)c1cc(F)c(F)c(F)c1 ZINC000462256021 869103620 /nfs/dbraw/zinc/10/36/20/869103620.db2.gz FNSPVUYVHYASHQ-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Cl ZINC000524585399 869278327 /nfs/dbraw/zinc/27/83/27/869278327.db2.gz OUONUGGUUDKODA-UHFFFAOYSA-N -1 3 392.786 3.983 20 0 GHADHM COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCc2ncccc2[O-])cc1 ZINC000462363098 869313578 /nfs/dbraw/zinc/31/35/78/869313578.db2.gz RVQHQCGJMMVAIX-LJQANCHMSA-N -1 3 377.444 3.579 20 0 GHADHM O=S(=O)([N-]CCCSc1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000462454005 869472505 /nfs/dbraw/zinc/47/25/05/869472505.db2.gz IKVWRUFMXXYGLA-UHFFFAOYSA-N -1 3 379.400 3.704 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccncc1 ZINC000669838827 869650993 /nfs/dbraw/zinc/65/09/93/869650993.db2.gz PACBNVHZABBFQR-SNVBAGLBSA-N -1 3 389.702 3.580 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000462550715 869660905 /nfs/dbraw/zinc/66/09/05/869660905.db2.gz IPJYWUKZXJOMGP-SCLBCKFNSA-N -1 3 385.407 3.550 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1[O-] ZINC000745654793 869723731 /nfs/dbraw/zinc/72/37/31/869723731.db2.gz XYKGCMDXIGMRAH-GFCCVEGCSA-N -1 3 397.387 3.847 20 0 GHADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000462594198 869729336 /nfs/dbraw/zinc/72/93/36/869729336.db2.gz PMVOWJXRBYUMLY-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000462600055 869746857 /nfs/dbraw/zinc/74/68/57/869746857.db2.gz DZHKTYNJTBNYHR-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000173124627 882350882 /nfs/dbraw/zinc/35/08/82/882350882.db2.gz REIINQMLHHRSAO-QMMMGPOBSA-N -1 3 378.441 3.897 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC1CCCCC1 ZINC000525055686 869956079 /nfs/dbraw/zinc/95/60/79/869956079.db2.gz HLYWTTWAQCANKT-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC1CCCCC1 ZINC000525055686 869956090 /nfs/dbraw/zinc/95/60/90/869956090.db2.gz HLYWTTWAQCANKT-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM COc1cccc(CN2CCC(NC(=O)c3ccc4[n-]c(=S)oc4c3)CC2)c1 ZINC000746137918 870071140 /nfs/dbraw/zinc/07/11/40/870071140.db2.gz CBLWFZJPWKJTGG-UHFFFAOYSA-N -1 3 397.500 3.520 20 0 GHADHM O=C([N-]c1n[nH]c2ccc(Br)cc21)c1nc(Cc2ccccc2)no1 ZINC001192262230 870246832 /nfs/dbraw/zinc/24/68/32/870246832.db2.gz CDTRZTHPBXPXHZ-UHFFFAOYSA-N -1 3 398.220 3.552 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC001192322977 870288961 /nfs/dbraw/zinc/28/89/61/870288961.db2.gz VEYWNTFVPFUJTI-GOSISDBHSA-N -1 3 386.879 3.656 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(Cl)nc1C(F)(F)F ZINC001192473292 870389431 /nfs/dbraw/zinc/38/94/31/870389431.db2.gz ITKWIMUOZLCDOJ-UHFFFAOYSA-N -1 3 396.550 3.869 20 0 GHADHM O=C([N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(F)(F)Cc1ccccc1 ZINC000793749895 882404573 /nfs/dbraw/zinc/40/45/73/882404573.db2.gz RDAVPKVENWMIRD-INIZCTEOSA-N -1 3 396.796 3.579 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC001192554050 870470450 /nfs/dbraw/zinc/47/04/50/870470450.db2.gz YNEZQIXOMGKXFQ-LSDHHAIUSA-N -1 3 375.893 3.884 20 0 GHADHM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746356452 870535918 /nfs/dbraw/zinc/53/59/18/870535918.db2.gz HIZDBLZLKAAHNH-QGZVFWFLSA-N -1 3 381.501 3.853 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@H](C)C2)cc1Cl ZINC000248642266 870571061 /nfs/dbraw/zinc/57/10/61/870571061.db2.gz RNMIKVZIDIYFIK-HOSYDEDBSA-N -1 3 376.881 3.541 20 0 GHADHM Cc1nc(NC(=O)c2c(Br)cccc2C(F)(F)F)cc(=O)[n-]1 ZINC001192629238 870576655 /nfs/dbraw/zinc/57/66/55/870576655.db2.gz RYWVCJGGTOXSJD-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(F)c1F ZINC000546620621 870633676 /nfs/dbraw/zinc/63/36/76/870633676.db2.gz ALHISAIIQCHXME-UHFFFAOYSA-N -1 3 379.306 3.527 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461622456 870647526 /nfs/dbraw/zinc/64/75/26/870647526.db2.gz CZPNFJKFJNUZBI-UHFFFAOYSA-N -1 3 385.807 3.543 20 0 GHADHM O=C(CCCc1ccccn1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737836068 870670149 /nfs/dbraw/zinc/67/01/49/870670149.db2.gz MMAZALKWIZQKNJ-UHFFFAOYSA-N -1 3 385.427 3.857 20 0 GHADHM O=C(CCCc1ccccn1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737836068 870670159 /nfs/dbraw/zinc/67/01/59/870670159.db2.gz MMAZALKWIZQKNJ-UHFFFAOYSA-N -1 3 385.427 3.857 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)c1 ZINC001192805926 870684253 /nfs/dbraw/zinc/68/42/53/870684253.db2.gz WCAUPWOVAUDMCE-UHFFFAOYSA-N -1 3 382.869 3.670 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)c1 ZINC001192816355 870693247 /nfs/dbraw/zinc/69/32/47/870693247.db2.gz PASGWKFGYVDGHD-UHFFFAOYSA-N -1 3 385.869 3.729 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1cnccc1Cl ZINC001192912331 870766625 /nfs/dbraw/zinc/76/66/25/870766625.db2.gz BYZZMTMIERRONV-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)cc1F ZINC001193040531 870833531 /nfs/dbraw/zinc/83/35/31/870833531.db2.gz LTTBWSVGSQHCIT-UHFFFAOYSA-N -1 3 398.456 3.797 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Cl)c1 ZINC001193351218 871036891 /nfs/dbraw/zinc/03/68/91/871036891.db2.gz WZBIZDDNEFKDJX-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM C[C@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001193440092 871088150 /nfs/dbraw/zinc/08/81/50/871088150.db2.gz LDUFWBLZMJEWGF-VIFPVBQESA-N -1 3 384.358 3.521 20 0 GHADHM C[C@H](C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001193440092 871088175 /nfs/dbraw/zinc/08/81/75/871088175.db2.gz LDUFWBLZMJEWGF-VIFPVBQESA-N -1 3 384.358 3.521 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000122252491 882489245 /nfs/dbraw/zinc/48/92/45/882489245.db2.gz PPCBCVSOEIWOLP-UHFFFAOYSA-N -1 3 389.455 3.897 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000252011680 871246911 /nfs/dbraw/zinc/24/69/11/871246911.db2.gz SKJBJEZSGALNRO-VUZGARFFSA-N -1 3 394.496 3.867 20 0 GHADHM CN1c2cc(NC(=O)c3ccc([O-])cc3C(F)(F)F)ccc2C(C)(C)C1=O ZINC001193749086 871290818 /nfs/dbraw/zinc/29/08/18/871290818.db2.gz ZZJRSPMSIXWKIW-UHFFFAOYSA-N -1 3 378.350 3.917 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3cc(F)cc(Br)c3)c[nH]c-2c1 ZINC001193769227 871305364 /nfs/dbraw/zinc/30/53/64/871305364.db2.gz ZUVRLDJEUODKFO-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c(F)c1 ZINC001193796115 871309180 /nfs/dbraw/zinc/30/91/80/871309180.db2.gz OZDAQZDRRMVBJS-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2F)[n-]n1 ZINC001193817464 871324213 /nfs/dbraw/zinc/32/42/13/871324213.db2.gz ABPMMZLRHOMUEE-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2F)n[n-]1 ZINC001193817464 871324239 /nfs/dbraw/zinc/32/42/39/871324239.db2.gz ABPMMZLRHOMUEE-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)c2cc3ccccc3s2)cc1F ZINC001193849696 871349215 /nfs/dbraw/zinc/34/92/15/871349215.db2.gz HYURRFCEGCVJDH-UHFFFAOYSA-N -1 3 381.425 3.649 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001169293401 871377606 /nfs/dbraw/zinc/37/76/06/871377606.db2.gz UAPAFIMGJQGAGP-GOSISDBHSA-N -1 3 394.862 3.552 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2nc(-c3ccccc3F)nn2c1 ZINC001193922529 871395323 /nfs/dbraw/zinc/39/53/23/871395323.db2.gz KCVBNCBLBXGUQM-UHFFFAOYSA-N -1 3 378.363 3.507 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)C(C)C ZINC001193951950 871396431 /nfs/dbraw/zinc/39/64/31/871396431.db2.gz ALEUMARMBUFLHV-NRFANRHFSA-N -1 3 392.455 3.953 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000618203870 871405002 /nfs/dbraw/zinc/40/50/02/871405002.db2.gz JMVMRJPMMRFFTC-UHFFFAOYSA-N -1 3 377.444 3.699 20 0 GHADHM COc1cc(CCCNC(=O)c2cc3sccc3c([O-])c2)cc(OC)c1O ZINC000857740336 882508664 /nfs/dbraw/zinc/50/86/64/882508664.db2.gz QAXDRHPCUOTREH-UHFFFAOYSA-N -1 3 387.457 3.692 20 0 GHADHM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000618236403 871422634 /nfs/dbraw/zinc/42/26/34/871422634.db2.gz ORSZJBPRSVAGFN-OAHLLOKOSA-N -1 3 389.455 3.795 20 0 GHADHM O=S(=O)([N-]C1([C@H]2CCCCO2)CCC1)c1cnc(-c2ccccc2)s1 ZINC001194019073 871436355 /nfs/dbraw/zinc/43/63/55/871436355.db2.gz XFSVLNIWSYVOQH-OAHLLOKOSA-N -1 3 378.519 3.580 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000640301488 882510202 /nfs/dbraw/zinc/51/02/02/882510202.db2.gz ICWVWVWONIRPPV-NSHDSACASA-N -1 3 394.825 3.524 20 0 GHADHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]Cc1noc2cc(F)ccc12 ZINC001194029038 871441364 /nfs/dbraw/zinc/44/13/64/871441364.db2.gz UDDVBPAHGMXCGZ-UHFFFAOYSA-N -1 3 395.264 3.955 20 0 GHADHM O=S(=O)(Cc1noc2ccccc12)[N-]c1cnc2cc(F)c(F)cc2c1 ZINC001194059638 871469381 /nfs/dbraw/zinc/46/93/81/871469381.db2.gz VGMFHLQKHIFTOK-UHFFFAOYSA-N -1 3 375.356 3.596 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462068204 871518806 /nfs/dbraw/zinc/51/88/06/871518806.db2.gz RXQYMGRFUKEAJP-HAQNSBGRSA-N -1 3 375.277 3.823 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3ccc(Cl)cc3Cl)c2C1 ZINC001194327574 871624771 /nfs/dbraw/zinc/62/47/71/871624771.db2.gz UKCBORDYQFJQRW-UHFFFAOYSA-N -1 3 389.304 3.975 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)Cc2cccs2)s1 ZINC000462155231 871746385 /nfs/dbraw/zinc/74/63/85/871746385.db2.gz IKGYSAXCGPZVOE-MRVPVSSYSA-N -1 3 380.354 3.790 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000794038912 882543910 /nfs/dbraw/zinc/54/39/10/882543910.db2.gz RVZIWMOAUNKYDQ-LJQANCHMSA-N -1 3 396.487 3.733 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1cc2ccccc2o1 ZINC000133894928 882553842 /nfs/dbraw/zinc/55/38/42/882553842.db2.gz XWYBIUXSFPHABD-HNNXBMFYSA-N -1 3 376.503 3.610 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1csc(-c2ccc(Cl)cc2)n1 ZINC000552061246 871960749 /nfs/dbraw/zinc/96/07/49/871960749.db2.gz COQCPCNPCYTZBD-UHFFFAOYSA-N -1 3 383.658 3.623 20 0 GHADHM COc1ccc(Br)c(CC(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000552069061 871974222 /nfs/dbraw/zinc/97/42/22/871974222.db2.gz AAAWVTFGQCCTAK-UHFFFAOYSA-N -1 3 378.222 3.547 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)CSc3ccc(F)cc3)nc21 ZINC000477846502 872050722 /nfs/dbraw/zinc/05/07/22/872050722.db2.gz HYTBPVHBUVKULZ-NSHDSACASA-N -1 3 387.436 3.856 20 0 GHADHM CCN(CC)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)c1 ZINC001194981169 872083095 /nfs/dbraw/zinc/08/30/95/872083095.db2.gz FFIPKXGFGUGORI-UHFFFAOYSA-N -1 3 393.484 3.604 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3c(Cl)ccnc23)cc1F ZINC001194982305 872087591 /nfs/dbraw/zinc/08/75/91/872087591.db2.gz YEBDLFZBJMGNFP-UHFFFAOYSA-N -1 3 393.827 3.651 20 0 GHADHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC001194990815 872091872 /nfs/dbraw/zinc/09/18/72/872091872.db2.gz CTBPHTNWRMDCEU-PGBBXINNSA-N -1 3 394.512 3.532 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)[n-]1 ZINC000618920468 872158933 /nfs/dbraw/zinc/15/89/33/872158933.db2.gz XHYZQTHLISTQJU-UHFFFAOYSA-N -1 3 396.881 3.606 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c[n-]1 ZINC000618920468 872158939 /nfs/dbraw/zinc/15/89/39/872158939.db2.gz XHYZQTHLISTQJU-UHFFFAOYSA-N -1 3 396.881 3.606 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1F ZINC001195309653 872329760 /nfs/dbraw/zinc/32/97/60/872329760.db2.gz MKSBMEBHEACSNM-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(O)cc1C ZINC001195337737 872336371 /nfs/dbraw/zinc/33/63/71/872336371.db2.gz DRWHASXIOOAIST-GFCCVEGCSA-N -1 3 377.462 3.802 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1[O-] ZINC000552286337 872352734 /nfs/dbraw/zinc/35/27/34/872352734.db2.gz NCSHAUTWSSMCPB-UHFFFAOYSA-N -1 3 379.391 3.661 20 0 GHADHM COc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001195462290 872404099 /nfs/dbraw/zinc/40/40/99/872404099.db2.gz JQBRRQHDWIQXQH-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000447863276 872438133 /nfs/dbraw/zinc/43/81/33/872438133.db2.gz LQFJXGAHULLVNV-OALUTQOASA-N -1 3 385.435 3.759 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1F ZINC001195505279 872454496 /nfs/dbraw/zinc/45/44/96/872454496.db2.gz LJAOGXKXHZXYHD-TZMCWYRMSA-N -1 3 388.233 3.562 20 0 GHADHM CSCCO[N-]C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000794188936 882616248 /nfs/dbraw/zinc/61/62/48/882616248.db2.gz YESGEASXCXOHCL-UHFFFAOYSA-N -1 3 384.457 3.638 20 0 GHADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000552364573 872523714 /nfs/dbraw/zinc/52/37/14/872523714.db2.gz RELXNPGPCKKIKE-UHFFFAOYSA-N -1 3 388.272 3.892 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000320743047 872555868 /nfs/dbraw/zinc/55/58/68/872555868.db2.gz TYLKAJDKYVBKMD-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)c(C)c1 ZINC000463784751 872598459 /nfs/dbraw/zinc/59/84/59/872598459.db2.gz GQWGQNWVKXWHLC-UHFFFAOYSA-N -1 3 379.478 3.990 20 0 GHADHM O=S(=O)([N-]CCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl ZINC000122634115 882641760 /nfs/dbraw/zinc/64/17/60/882641760.db2.gz KMCYZGCZHPSOJM-UHFFFAOYSA-N -1 3 398.271 3.564 20 0 GHADHM O=S(=O)(N[C@H]1CCCc2c(Br)cccc21)c1ccc([O-])cc1 ZINC001195835892 872704041 /nfs/dbraw/zinc/70/40/41/872704041.db2.gz PFVVAHXVJSAVRJ-INIZCTEOSA-N -1 3 382.279 3.511 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c(=O)[n-]1 ZINC000527190020 872794277 /nfs/dbraw/zinc/79/42/77/872794277.db2.gz LVDSXBQZPUDTAZ-UHFFFAOYSA-N -1 3 391.475 3.519 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000070731327 872800265 /nfs/dbraw/zinc/80/02/65/872800265.db2.gz NTMVOVFLAKTJQV-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000070731327 872800280 /nfs/dbraw/zinc/80/02/80/872800280.db2.gz NTMVOVFLAKTJQV-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000463892929 872805361 /nfs/dbraw/zinc/80/53/61/872805361.db2.gz DJFLTQKEISIOEO-NWDGAFQWSA-N -1 3 395.352 3.603 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)cc2)n1 ZINC000478305579 872827792 /nfs/dbraw/zinc/82/77/92/872827792.db2.gz BTVCAZGXTRRMCP-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ncc(C2CCCCC2)s1 ZINC000541070123 872842943 /nfs/dbraw/zinc/84/29/43/872842943.db2.gz DKNKDCOETVJNGK-UHFFFAOYSA-N -1 3 399.563 3.755 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc2ccc(Cl)nc2cc1F ZINC000767855168 872893724 /nfs/dbraw/zinc/89/37/24/872893724.db2.gz UOGSWNBEIPANSG-SNVBAGLBSA-N -1 3 378.803 3.884 20 0 GHADHM Cc1nnc([C@@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)o1 ZINC000619715008 872914239 /nfs/dbraw/zinc/91/42/39/872914239.db2.gz SUCOAUDEBQHKQM-MRVPVSSYSA-N -1 3 388.840 3.719 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)sc1Cl ZINC000191927671 882670416 /nfs/dbraw/zinc/67/04/16/882670416.db2.gz ZLIHOFZQAANDQV-LLVKDONJSA-N -1 3 375.903 3.646 20 0 GHADHM O=C(Cc1ccc(Cl)s1)Nc1cc(I)ccc1[O-] ZINC000619776632 872990297 /nfs/dbraw/zinc/99/02/97/872990297.db2.gz GZAFGWLQHQRFDG-UHFFFAOYSA-N -1 3 393.633 3.893 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC(F)(F)CC1 ZINC000794294920 882676419 /nfs/dbraw/zinc/67/64/19/882676419.db2.gz FZSYPQZCVGNGHL-SFHVURJKSA-N -1 3 388.414 3.511 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1F)C1CCC1)c1cccc(Br)n1 ZINC001196333609 873039486 /nfs/dbraw/zinc/03/94/86/873039486.db2.gz NMOSQLXDBCTFQS-INIZCTEOSA-N -1 3 399.285 3.803 20 0 GHADHM CCOC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC001196387434 873067537 /nfs/dbraw/zinc/06/75/37/873067537.db2.gz QSOBZRNQMFWMEJ-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM Cc1sc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)nc1-c1ccc2c(c1)CCC2 ZINC000464088403 873217216 /nfs/dbraw/zinc/21/72/16/873217216.db2.gz GCNHTEWCGXFBJA-UHFFFAOYSA-N -1 3 394.500 3.901 20 0 GHADHM CSc1nnc([N-]C(=O)c2c(C)nc(Cl)cc2Cl)c(SC)n1 ZINC001196679491 873280453 /nfs/dbraw/zinc/28/04/53/873280453.db2.gz MHQUVTACTZCDPX-UHFFFAOYSA-N -1 3 376.294 3.578 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)c1 ZINC001196721229 873320030 /nfs/dbraw/zinc/32/00/30/873320030.db2.gz XLHUEMJULPWZCA-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(F)(F)F)cc32)c1 ZINC001196797951 873366914 /nfs/dbraw/zinc/36/69/14/873366914.db2.gz RMOUHGQRKVLNBK-OAHLLOKOSA-N -1 3 389.370 3.819 20 0 GHADHM COc1cccc(CC2(C[N-]S(=O)(=O)c3cc(OC)ccc3F)CCC2)c1 ZINC001196798145 873367341 /nfs/dbraw/zinc/36/73/41/873367341.db2.gz WEBCIGKJGQJXAE-UHFFFAOYSA-N -1 3 393.480 3.534 20 0 GHADHM Cc1ncc(CNC(=O)NCc2ccccc2Oc2ccccc2C)c(=O)[n-]1 ZINC000541335073 873387724 /nfs/dbraw/zinc/38/77/24/873387724.db2.gz AABBSZCLFDXKOP-UHFFFAOYSA-N -1 3 378.432 3.591 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3csc(NC4CC4)n3)nc(=O)c2c1C ZINC000768657864 873479656 /nfs/dbraw/zinc/47/96/56/873479656.db2.gz PEPAWNJJJWDGLQ-MRVPVSSYSA-N -1 3 390.490 3.963 20 0 GHADHM COC(=O)CCCCS(=O)(=O)[N-]c1ccc(C(C)C)cc1C(F)(F)F ZINC001196959394 873498751 /nfs/dbraw/zinc/49/87/51/873498751.db2.gz WPFYZFMGFVCMRO-UHFFFAOYSA-N -1 3 381.416 3.914 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ncn(-c4ccccc4)n3)nc(=O)c2c1C ZINC000768683348 873524194 /nfs/dbraw/zinc/52/41/94/873524194.db2.gz CUXLIYYZFRFQMW-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC001197036575 873559398 /nfs/dbraw/zinc/55/93/98/873559398.db2.gz KKXWOAUXWLGAEQ-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001197073414 873580975 /nfs/dbraw/zinc/58/09/75/873580975.db2.gz NMJHFJYTXNQROD-SNVBAGLBSA-N -1 3 393.373 3.509 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c(=O)[n-]1 ZINC000541441157 873582937 /nfs/dbraw/zinc/58/29/37/873582937.db2.gz DZTQGBJRNOAXEH-LJQANCHMSA-N -1 3 396.878 3.927 20 0 GHADHM COc1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c(OC)c1OC ZINC000768883625 873644703 /nfs/dbraw/zinc/64/47/03/873644703.db2.gz ZPUNMGMCVWYFLP-MDZDMXLPSA-N -1 3 383.853 3.778 20 0 GHADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)C[C@@H](C)O1 ZINC000134126305 882747966 /nfs/dbraw/zinc/74/79/66/882747966.db2.gz OCBBPSKTZZLGOX-VXGBXAGGSA-N -1 3 395.381 3.672 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c(Cl)ccnc1C(F)(F)F ZINC001197232943 873688983 /nfs/dbraw/zinc/68/89/83/873688983.db2.gz HJORYEGTOUFQIX-UHFFFAOYSA-N -1 3 392.692 3.637 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000134150949 882758123 /nfs/dbraw/zinc/75/81/23/882758123.db2.gz XOMROQQOVKGSLV-GOSISDBHSA-N -1 3 394.393 3.548 20 0 GHADHM CN1CCc2cc([N-]S(=O)(=O)Cc3cc(Cl)ccc3Cl)ccc2C1=O ZINC001197538597 873866543 /nfs/dbraw/zinc/86/65/43/873866543.db2.gz XYHSIZKRJDBPLH-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM Cc1cccc(C2([N-]S(=O)(=O)Cc3cc(Cl)ccc3Cl)COC2)c1 ZINC001197547228 873890650 /nfs/dbraw/zinc/89/06/50/873890650.db2.gz VAORAOXJLBKMDJ-UHFFFAOYSA-N -1 3 386.300 3.647 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1ncc(C(F)(F)F)cc1F ZINC001197643323 873942252 /nfs/dbraw/zinc/94/22/52/873942252.db2.gz VYCKEWOTECYOFW-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CC(C)c1cnn2cc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)cnc12 ZINC001197650009 873947331 /nfs/dbraw/zinc/94/73/31/873947331.db2.gz YOXLPIQMAHXXKZ-UHFFFAOYSA-N -1 3 382.848 3.587 20 0 GHADHM O=C(Nc1ccc2c(c1)CCNC2=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197722324 874007541 /nfs/dbraw/zinc/00/75/41/874007541.db2.gz ANEQBBPHNHPOFK-UHFFFAOYSA-N -1 3 388.423 3.509 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197725636 874009905 /nfs/dbraw/zinc/00/99/05/874009905.db2.gz HGQBILWBSRCAFK-UHFFFAOYSA-N -1 3 396.683 3.696 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccccc1C1OCCO1 ZINC001197753513 874029819 /nfs/dbraw/zinc/02/98/19/874029819.db2.gz QJSZBYWFSOSETA-UHFFFAOYSA-N -1 3 388.272 3.981 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(C)c1)c1ccco1 ZINC000769447330 874078019 /nfs/dbraw/zinc/07/80/19/874078019.db2.gz OFDWTTKSOMYHBS-KRWDZBQOSA-N -1 3 392.864 3.713 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC001197889394 874091204 /nfs/dbraw/zinc/09/12/04/874091204.db2.gz OUUVHHLZOZHLGP-UHFFFAOYSA-N -1 3 386.832 3.637 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC001197904514 874121609 /nfs/dbraw/zinc/12/16/09/874121609.db2.gz SLYCGAWLUPCGLS-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM CN(C(=O)c1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000769715553 874248442 /nfs/dbraw/zinc/24/84/42/874248442.db2.gz SAWJJCGLSGIJBS-UHFFFAOYSA-N -1 3 396.443 3.778 20 0 GHADHM CN(C)CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])c1ccccc1 ZINC000769740456 874275827 /nfs/dbraw/zinc/27/58/27/874275827.db2.gz AFKOKXYORXEPHC-UHFFFAOYSA-N -1 3 399.491 3.948 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccnc1Br ZINC000769857823 874307188 /nfs/dbraw/zinc/30/71/88/874307188.db2.gz YNHXSLGSOALYAD-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)n1 ZINC001198254825 874314020 /nfs/dbraw/zinc/31/40/20/874314020.db2.gz OKOOVKGLONXQCQ-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC001198254644 874314071 /nfs/dbraw/zinc/31/40/71/874314071.db2.gz JWFITCSAYOSONX-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC001198710236 874599838 /nfs/dbraw/zinc/59/98/38/874599838.db2.gz JRIZYIFUVXCWHI-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cncn1C1CCOCC1 ZINC001199061432 874782853 /nfs/dbraw/zinc/78/28/53/874782853.db2.gz OFVJKKTUZDJTDV-UHFFFAOYSA-N -1 3 378.523 3.634 20 0 GHADHM O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cccc(Cl)c1[O-] ZINC000775934458 874794362 /nfs/dbraw/zinc/79/43/62/874794362.db2.gz YUTQCIFYGNLULL-UHFFFAOYSA-N -1 3 378.743 3.504 20 0 GHADHM O=C(COC(=O)CC1(CSc2ccccc2)CC1)[N-]C(=O)c1cccs1 ZINC000770612257 874796254 /nfs/dbraw/zinc/79/62/54/874796254.db2.gz OORZPNXKZYFOFG-UHFFFAOYSA-N -1 3 389.498 3.510 20 0 GHADHM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000770869687 874900994 /nfs/dbraw/zinc/90/09/94/874900994.db2.gz TWKGYVFWWYZVEQ-FQEVSTJZSA-N -1 3 394.468 3.591 20 0 GHADHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528687889 874922153 /nfs/dbraw/zinc/92/21/53/874922153.db2.gz RKLFJFPNWWPHCS-LBPRGKRZSA-N -1 3 378.266 3.867 20 0 GHADHM COc1cc(C)c([C@@H](C)OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C ZINC000770926399 874948244 /nfs/dbraw/zinc/94/82/44/874948244.db2.gz BTOKBKKLYDSJFQ-CYBMUJFWSA-N -1 3 395.452 3.741 20 0 GHADHM CC[C@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000465028568 874973538 /nfs/dbraw/zinc/97/35/38/874973538.db2.gz PFGRJBDCCVIPSS-KBXCAEBGSA-N -1 3 390.480 3.935 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c(=O)c2c(OC)c1 ZINC000623593366 874983204 /nfs/dbraw/zinc/98/32/04/874983204.db2.gz FLZPVPJHBCCPNH-RRFJBIMHSA-N -1 3 384.476 3.634 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@@H]3C(C)C)c2)c1 ZINC000775978863 875007703 /nfs/dbraw/zinc/00/77/03/875007703.db2.gz WBWGTALEJYEBQC-LJQANCHMSA-N -1 3 398.459 3.532 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc(-n2cccn2)c1 ZINC000542236256 875200049 /nfs/dbraw/zinc/20/00/49/875200049.db2.gz UPBBHARPTXLTAS-UHFFFAOYSA-N -1 3 398.419 3.608 20 0 GHADHM O=C([N-]c1c(F)cccc1-n1cccn1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000771339750 875206385 /nfs/dbraw/zinc/20/63/85/875206385.db2.gz PPLXZWFDIBVVOZ-UHFFFAOYSA-N -1 3 390.374 3.854 20 0 GHADHM Cc1cc([C@@H]2CN(C(=O)c3cc([O-])cc(Br)c3)CCO2)ccc1F ZINC000528933627 875304797 /nfs/dbraw/zinc/30/47/97/875304797.db2.gz LLSYJKWIFMEQHZ-KRWDZBQOSA-N -1 3 394.240 3.816 20 0 GHADHM Cc1cc([C@H]2CN(C(=O)c3cc([O-])cc(Br)c3)CCO2)ccc1F ZINC000528933628 875305812 /nfs/dbraw/zinc/30/58/12/875305812.db2.gz LLSYJKWIFMEQHZ-QGZVFWFLSA-N -1 3 394.240 3.816 20 0 GHADHM Cc1nc([C@@H]2CCCCCN2C(=O)c2cc([O-])cc(Br)c2)no1 ZINC000528991127 875408407 /nfs/dbraw/zinc/40/84/07/875408407.db2.gz XFKXKHSYQNGIFF-AWEZNQCLSA-N -1 3 380.242 3.604 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000465298742 875447009 /nfs/dbraw/zinc/44/70/09/875447009.db2.gz ZEDPQMGSJBDRFY-GDBMZVCRSA-N -1 3 390.480 3.887 20 0 GHADHM COc1ccc(NC(=S)Nc2ccc([O-])c(Br)c2)cc1OC ZINC001201062635 875468216 /nfs/dbraw/zinc/46/82/16/875468216.db2.gz COTNBIBUUSTAHZ-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM Cc1ccc(Oc2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cc2)nc1 ZINC000913696610 875879405 /nfs/dbraw/zinc/87/94/05/875879405.db2.gz NHZGNFGIVRTJBY-UHFFFAOYSA-N -1 3 390.443 3.875 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1Cl)c1cccc(F)c1Br ZINC001201783547 875881317 /nfs/dbraw/zinc/88/13/17/875881317.db2.gz SZCJQHKWJXJQNS-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM O=S(=O)([N-][C@@H]1CC12CCC(F)(F)CC2)c1cccc(F)c1Br ZINC001201791038 875885575 /nfs/dbraw/zinc/88/55/75/875885575.db2.gz MXDATNMEKOGQGR-LLVKDONJSA-N -1 3 398.244 3.835 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000529232246 875888271 /nfs/dbraw/zinc/88/82/71/875888271.db2.gz KCEASPFQWSILDT-BBWFWOEESA-N -1 3 382.298 3.701 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C)c(Br)c1 ZINC000172957856 876040469 /nfs/dbraw/zinc/04/04/69/876040469.db2.gz XLPFKKJHFXEJTJ-UHFFFAOYSA-N -1 3 385.121 3.597 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c(C)c2c1 ZINC000173031127 876096542 /nfs/dbraw/zinc/09/65/42/876096542.db2.gz VNVJJNXLGVEHJP-UHFFFAOYSA-N -1 3 390.486 3.842 20 0 GHADHM CC(C)c1nc(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)no1 ZINC000529412958 876106265 /nfs/dbraw/zinc/10/62/65/876106265.db2.gz KRAHKTRWWSNTSA-UHFFFAOYSA-N -1 3 394.269 3.681 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000173086680 876159154 /nfs/dbraw/zinc/15/91/54/876159154.db2.gz BUYQAHOMWUMYKY-UHFFFAOYSA-N -1 3 397.378 3.811 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000179524785 883007466 /nfs/dbraw/zinc/00/74/66/883007466.db2.gz JRZHPAAOOBOECV-ZUOKHONESA-N -1 3 391.427 3.774 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000529491303 876234081 /nfs/dbraw/zinc/23/40/81/876234081.db2.gz HHABXHXVZSLVKU-GUYCJALGSA-N -1 3 376.250 3.697 20 0 GHADHM CC[C@]([N-]C(=O)C(F)(F)c1ncccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000804549032 883011579 /nfs/dbraw/zinc/01/15/79/883011579.db2.gz UKFDSLKZAZPTFP-GOSISDBHSA-N -1 3 396.821 3.730 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2)cs1 ZINC000173276858 876291639 /nfs/dbraw/zinc/29/16/39/876291639.db2.gz XGYRUVXMBKOFFG-UHFFFAOYSA-N -1 3 387.486 3.742 20 0 GHADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000776354389 876327146 /nfs/dbraw/zinc/32/71/46/876327146.db2.gz LIVPGWWJVFIAEP-JTQLQIEISA-N -1 3 399.285 3.596 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC[C@@H]1c1ccccc1 ZINC000173552264 876466007 /nfs/dbraw/zinc/46/60/07/876466007.db2.gz GWACMWDOZKHDPX-PBHICJAKSA-N -1 3 377.444 3.618 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000492237980 876493126 /nfs/dbraw/zinc/49/31/26/876493126.db2.gz USXFCOYDLCONNK-UHFFFAOYSA-N -1 3 381.848 3.923 20 0 GHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C(F)(F)c1ccccc1Br ZINC001129639176 883060227 /nfs/dbraw/zinc/06/02/27/883060227.db2.gz JWAPGXSLEQWWFM-UHFFFAOYSA-N -1 3 398.207 3.554 20 0 GHADHM Cc1nc(CC(C)C)oc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450693536 876774491 /nfs/dbraw/zinc/77/44/91/876774491.db2.gz DUGCXRJCNXYWPY-UHFFFAOYSA-N -1 3 375.816 3.578 20 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ZINC000787135777 877183333 /nfs/dbraw/zinc/18/33/33/877183333.db2.gz OXEIOXJAIJGUAV-ZBFHGGJFSA-N -1 3 394.487 3.758 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1C(C)C ZINC000530137842 877190703 /nfs/dbraw/zinc/19/07/03/877190703.db2.gz QQRRXTUUEIVYSN-UHFFFAOYSA-N -1 3 397.468 3.784 20 0 GHADHM O=C([O-])c1cccc2c1CCN(CCOc1ccc(Br)cc1)C2 ZINC000391538624 877192778 /nfs/dbraw/zinc/19/27/78/877192778.db2.gz WSUYAOLJMVPXKB-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc(OC)c1C(C)C ZINC000451024728 877257485 /nfs/dbraw/zinc/25/74/85/877257485.db2.gz AGAHJQAEDXCJJZ-IBGZPJMESA-N -1 3 393.505 3.957 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CCc4nc(C(C)(C)C)ncc4C3)c2c1 ZINC000530174637 877262571 /nfs/dbraw/zinc/26/25/71/877262571.db2.gz JEAMGKQERMLQHL-UHFFFAOYSA-N -1 3 392.459 3.592 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)cc1F ZINC000475748682 883115423 /nfs/dbraw/zinc/11/54/23/883115423.db2.gz NVRSRWAPKVYVSP-UHFFFAOYSA-N -1 3 395.475 3.527 20 0 GHADHM C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787236628 877289750 /nfs/dbraw/zinc/28/97/50/877289750.db2.gz TYXIMEQNQPVPKX-GJZGRUSLSA-N -1 3 394.487 3.710 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000451095990 877328492 /nfs/dbraw/zinc/32/84/92/877328492.db2.gz VNLVCMWMSSXCOS-UHFFFAOYSA-N -1 3 385.869 3.568 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3nnc4ccccc4c3[O-])sc2C)cc1 ZINC000109937184 877627624 /nfs/dbraw/zinc/62/76/24/877627624.db2.gz UGIBRRHHVLWAIW-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000787841880 877660709 /nfs/dbraw/zinc/66/07/09/877660709.db2.gz BHHRQNBGHSDJAG-CQSZACIVSA-N -1 3 391.414 3.583 20 0 GHADHM COc1ccc(C(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c(OC)c1 ZINC000787845706 877665908 /nfs/dbraw/zinc/66/59/08/877665908.db2.gz QSYRKMYHBJSXMW-ZDUSSCGKSA-N -1 3 390.407 3.686 20 0 GHADHM NC(=O)C1CCN(c2ccc(NC(=O)c3cc4sccc4c([O-])c3)cc2)CC1 ZINC000788295287 877975687 /nfs/dbraw/zinc/97/56/87/877975687.db2.gz CQTZSQBQYAGXFT-UHFFFAOYSA-N -1 3 395.484 3.561 20 0 GHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1cccc(Cl)c1 ZINC000179875484 878135036 /nfs/dbraw/zinc/13/50/36/878135036.db2.gz TWQKZKNDOZOQGB-QGZVFWFLSA-N -1 3 378.819 3.795 20 0 GHADHM CC[C@H](C)NC(=O)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000537756545 878248047 /nfs/dbraw/zinc/24/80/47/878248047.db2.gz WBEKGEKPNCLEOD-NSHDSACASA-N -1 3 382.386 3.650 20 0 GHADHM O=S(=O)([N-]CCCC1CCOCC1)c1cccc(Br)c1Cl ZINC000451614830 878248554 /nfs/dbraw/zinc/24/85/54/878248554.db2.gz SIIIZXIYCZPFDY-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2Cl)ccc1Br ZINC000179951671 878257385 /nfs/dbraw/zinc/25/73/85/878257385.db2.gz VMQSQVQIIIDSAO-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c([O-])c1 ZINC000537823328 878342940 /nfs/dbraw/zinc/34/29/40/878342940.db2.gz OWODNMOTHIKFSG-UHFFFAOYSA-N -1 3 395.415 3.995 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000176698414 878359813 /nfs/dbraw/zinc/35/98/13/878359813.db2.gz RGPHHCIGCVSMIT-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc3ccccc3c2)sc1Cl ZINC000788896480 878429918 /nfs/dbraw/zinc/42/99/18/878429918.db2.gz PUSYXEYNIALYLU-HNNXBMFYSA-N -1 3 381.906 3.875 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3ccccc3c2)sc1Cl ZINC000788896482 878430371 /nfs/dbraw/zinc/43/03/71/878430371.db2.gz PUSYXEYNIALYLU-OAHLLOKOSA-N -1 3 381.906 3.875 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2C(F)(F)F)sc1Cl ZINC000788900351 878434767 /nfs/dbraw/zinc/43/47/67/878434767.db2.gz LUJMGPRHORZRHE-LLVKDONJSA-N -1 3 399.843 3.741 20 0 GHADHM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)c2)n1 ZINC000530763298 878444615 /nfs/dbraw/zinc/44/46/15/878444615.db2.gz YAICAMZIZHXCJI-UHFFFAOYSA-N -1 3 399.472 3.868 20 0 GHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000788916328 878452265 /nfs/dbraw/zinc/45/22/65/878452265.db2.gz JFAFGNZXOCRIML-UHFFFAOYSA-N -1 3 387.244 3.622 20 0 GHADHM Cc1nc(C)c(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC000852674214 878510646 /nfs/dbraw/zinc/51/06/46/878510646.db2.gz ZVIZDOVMUAXWBC-HZPDHXFCSA-N -1 3 397.466 3.797 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cccc(Cl)c1Br ZINC000493132831 878540016 /nfs/dbraw/zinc/54/00/16/878540016.db2.gz NUBMRNJSGBBCQY-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM C[C@H](CCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])OCc1ccccc1 ZINC000789024981 878549030 /nfs/dbraw/zinc/54/90/30/878549030.db2.gz LGFRTHBYZHFLBK-XLIONFOSSA-N -1 3 397.471 3.535 20 0 GHADHM CCc1cnccc1[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000538045129 878757879 /nfs/dbraw/zinc/75/78/79/878757879.db2.gz HUUBEWRGIPKZPP-LLVKDONJSA-N -1 3 378.270 3.673 20 0 GHADHM CO[C@H](C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451969638 878790620 /nfs/dbraw/zinc/79/06/20/878790620.db2.gz KTFKASUILGJLSN-RHSMWYFYSA-N -1 3 390.530 3.534 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000538121428 878846710 /nfs/dbraw/zinc/84/67/10/878846710.db2.gz NJXLLMIIDGZFKP-DOTOQJQBSA-N -1 3 387.835 3.735 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2oc3ccc(OC)cc3c2C)s1 ZINC000460953536 878900663 /nfs/dbraw/zinc/90/06/63/878900663.db2.gz UNUQIZLKQWFJTG-LLVKDONJSA-N -1 3 380.491 3.808 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)c(=O)[n-]1 ZINC000452153183 879004044 /nfs/dbraw/zinc/00/40/44/879004044.db2.gz SIVMHNVFECGNRG-VIFPVBQESA-N -1 3 396.260 3.511 20 0 GHADHM CCc1csc(-n2cc(C(=O)[N-]c3c(F)cc(C(C)=O)c(F)c3F)cn2)n1 ZINC000461104433 879179327 /nfs/dbraw/zinc/17/93/27/879179327.db2.gz ASQNPOBUEXQNRT-UHFFFAOYSA-N -1 3 394.378 3.763 20 0 GHADHM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(F)ccc1[O-] ZINC000531135524 879197191 /nfs/dbraw/zinc/19/71/91/879197191.db2.gz YNTKDCSAASUAOK-JRUMVTRASA-N -1 3 388.483 3.827 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000789738877 879254306 /nfs/dbraw/zinc/25/43/06/879254306.db2.gz WRUAXQSKLRXYLL-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM CCCCc1nc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c(C(=O)OCC)[n-]1 ZINC000616916449 879264482 /nfs/dbraw/zinc/26/44/82/879264482.db2.gz WEJDDNWBEVQFDU-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cnn[n-]1 ZINC000616987642 879288478 /nfs/dbraw/zinc/28/84/78/879288478.db2.gz CBJSUOVXYDJOEG-UHFFFAOYSA-N -1 3 375.251 3.971 20 0 GHADHM O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1c[n-]nn1 ZINC000616987642 879288496 /nfs/dbraw/zinc/28/84/96/879288496.db2.gz CBJSUOVXYDJOEG-UHFFFAOYSA-N -1 3 375.251 3.971 20 0 GHADHM O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cn[n-]n1 ZINC000616987642 879288510 /nfs/dbraw/zinc/28/85/10/879288510.db2.gz CBJSUOVXYDJOEG-UHFFFAOYSA-N -1 3 375.251 3.971 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)ccc1C ZINC000461227680 879388127 /nfs/dbraw/zinc/38/81/27/879388127.db2.gz SBXOQNIZIFJEAC-UHFFFAOYSA-N -1 3 398.488 3.557 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(F)c1)c1cccc(Cl)c1Br ZINC000493378067 879405621 /nfs/dbraw/zinc/40/56/21/879405621.db2.gz AOLLKTVUZLEOKM-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1OC ZINC000617214921 879485929 /nfs/dbraw/zinc/48/59/29/879485929.db2.gz AAAMFDSVXXYJNK-CQSZACIVSA-N -1 3 376.478 3.589 20 0 GHADHM CSC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000854118266 879554905 /nfs/dbraw/zinc/55/49/05/879554905.db2.gz OYAOFZFWRWOJSH-UHFFFAOYSA-N -1 3 378.519 3.876 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(F)cc1OC(C)C ZINC001212297650 879725124 /nfs/dbraw/zinc/72/51/24/879725124.db2.gz CRNTUHWVFHKFOP-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000531396449 879736796 /nfs/dbraw/zinc/73/67/96/879736796.db2.gz UBPUWEWCYFPXEX-QKYXUNIQSA-N -1 3 394.519 3.500 20 0 GHADHM CCC1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCC(F)(F)CC1 ZINC000854527627 879881382 /nfs/dbraw/zinc/88/13/82/879881382.db2.gz VKSSKTKQWZGHOR-LBPRGKRZSA-N -1 3 384.389 3.509 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)cc2C1 ZINC000854581661 879923688 /nfs/dbraw/zinc/92/36/88/879923688.db2.gz TUOYJUYTPAKWLO-UHFFFAOYSA-N -1 3 394.431 3.772 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1ccc(Cl)nc1Cl ZINC000112665139 880065365 /nfs/dbraw/zinc/06/53/65/880065365.db2.gz WIAOIZCLFKHLOM-UHFFFAOYSA-N -1 3 388.251 3.530 20 0 GHADHM O=C(NCC1CCCCCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000452797264 880066348 /nfs/dbraw/zinc/06/63/48/880066348.db2.gz OTRGTUYZBBYPPT-UHFFFAOYSA-N -1 3 393.484 3.655 20 0 GHADHM COc1cc(-c2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)cc(OC)c1[O-] ZINC000776772553 880204122 /nfs/dbraw/zinc/20/41/22/880204122.db2.gz RCZDXCAGDAUBMB-GFCCVEGCSA-N -1 3 391.424 3.531 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1nc(C)cs1 ZINC000184481318 880315180 /nfs/dbraw/zinc/31/51/80/880315180.db2.gz IOTPMJVKCPPIKM-NSHDSACASA-N -1 3 393.303 3.783 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cnc1Cl ZINC000776797997 880335906 /nfs/dbraw/zinc/33/59/06/880335906.db2.gz QRESCIPZFUWSOZ-CYBMUJFWSA-N -1 3 378.803 3.668 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cnc1Cl ZINC000776797998 880336438 /nfs/dbraw/zinc/33/64/38/880336438.db2.gz QRESCIPZFUWSOZ-ZDUSSCGKSA-N -1 3 378.803 3.668 20 0 GHADHM O=C(Nc1ccncc1)c1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791343790 880343776 /nfs/dbraw/zinc/34/37/76/880343776.db2.gz PCGVQKBRIYNUQF-UHFFFAOYSA-N -1 3 389.436 3.928 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791368590 880376887 /nfs/dbraw/zinc/37/68/87/880376887.db2.gz ZJKKEJKMQQHDBY-UHFFFAOYSA-N -1 3 382.485 4.000 20 0 GHADHM Cn1cc(Nc2cccc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)c2)cn1 ZINC000531771609 880454039 /nfs/dbraw/zinc/45/40/39/880454039.db2.gz QWIJFAAYKKZTNV-UHFFFAOYSA-N -1 3 394.385 3.506 20 0 GHADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185210116 880508281 /nfs/dbraw/zinc/50/82/81/880508281.db2.gz DELRNLHZPWTMLA-UHFFFAOYSA-N -1 3 381.816 3.720 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CC34CCSCC4)cc2)cc(=O)[n-]1 ZINC000643259185 912579746 /nfs/dbraw/zinc/57/97/46/912579746.db2.gz PURUMJJEWZVPGL-HNNXBMFYSA-N -1 3 384.505 3.812 20 0 GHADHM NC(=O)CN(Cc1ccccc1)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185595330 880628634 /nfs/dbraw/zinc/62/86/34/880628634.db2.gz ANVMAGUKWBBYJA-UHFFFAOYSA-N -1 3 379.435 3.635 20 0 GHADHM COc1cc(F)c([N-]C(=O)c2cc(COc3ccccc3F)on2)cc1F ZINC000185843281 880708625 /nfs/dbraw/zinc/70/86/25/880708625.db2.gz VMKDPLZLMMBCRW-UHFFFAOYSA-N -1 3 378.306 3.932 20 0 GHADHM CCCC1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000791852106 880723846 /nfs/dbraw/zinc/72/38/46/880723846.db2.gz GQUSCULURLKNJS-UHFFFAOYSA-N -1 3 396.528 3.697 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000791881966 880754514 /nfs/dbraw/zinc/75/45/14/880754514.db2.gz VGDJWTZQSPBTQT-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000791881966 880754518 /nfs/dbraw/zinc/75/45/18/880754518.db2.gz VGDJWTZQSPBTQT-LLVKDONJSA-N -1 3 399.163 3.927 20 0 GHADHM Cc1nc(NC(=O)c2cc([O-])c3ccccc3c2)sc1C1N=NC(=S)N1C ZINC000792063301 880875674 /nfs/dbraw/zinc/87/56/74/880875674.db2.gz LNJRXPXFAFIYPE-UHFFFAOYSA-N -1 3 397.485 3.647 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000855963039 880878197 /nfs/dbraw/zinc/87/81/97/880878197.db2.gz ULXFQPOYRXDXJI-RHSMWYFYSA-N -1 3 392.496 3.643 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792117603 880911041 /nfs/dbraw/zinc/91/10/41/880911041.db2.gz UGAWSYOPSVSLIU-OAHLLOKOSA-N -1 3 384.476 3.922 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](c4ccsc4)C3)cc2)cc(=O)[n-]1 ZINC000532073647 881079206 /nfs/dbraw/zinc/07/92/06/881079206.db2.gz JUUDYNJNSIKLLJ-SFHVURJKSA-N -1 3 396.472 3.825 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CCC2CC2)CC2CC2)ccc1F ZINC000856283906 881082636 /nfs/dbraw/zinc/08/26/36/881082636.db2.gz RJWWRXBLOCTQLV-UHFFFAOYSA-N -1 3 396.528 3.555 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291819 881150810 /nfs/dbraw/zinc/15/08/10/881150810.db2.gz DWSOINOZAPHUNA-UHFFFAOYSA-N -1 3 399.804 3.675 20 0 GHADHM O=c1nc(CN(CCCO)c2ccccc2)[n-]c2scc(-c3ccco3)c21 ZINC000132440705 881155861 /nfs/dbraw/zinc/15/58/61/881155861.db2.gz YBTJAXWOLYEJGK-UHFFFAOYSA-N -1 3 381.457 3.634 20 0 GHADHM COC(=O)c1cnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)[n-]1 ZINC000187592452 881240603 /nfs/dbraw/zinc/24/06/03/881240603.db2.gz SDCXNTPVCICYPS-UHFFFAOYSA-N -1 3 395.484 3.536 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Oc2cccnc2)cc1 ZINC000494250811 881299058 /nfs/dbraw/zinc/29/90/58/881299058.db2.gz LNQXFGINODQYDQ-GFCCVEGCSA-N -1 3 377.379 3.775 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757244 883157735 /nfs/dbraw/zinc/15/77/35/883157735.db2.gz ALTNHVKZYUQZBQ-SECBINFHSA-N -1 3 382.247 3.774 20 0 GHADHM O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc([O-])ccc1Cl ZINC000551092623 883273938 /nfs/dbraw/zinc/27/39/38/883273938.db2.gz BFVBQSVPVCJNBG-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM O=C(Nc1cccc(Cl)c1Cl)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000193483961 883299111 /nfs/dbraw/zinc/29/91/11/883299111.db2.gz JXFXOYKEXUHKOK-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000183922415 883309954 /nfs/dbraw/zinc/30/99/54/883309954.db2.gz LLJQERWKXQSWGR-FQEVSTJZSA-N -1 3 389.879 3.863 20 0 GHADHM O=C(O[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc2ccsc2[n-]1 ZINC000777049968 883314246 /nfs/dbraw/zinc/31/42/46/883314246.db2.gz ZHSJVAHPPVEISZ-AWEZNQCLSA-N -1 3 378.812 3.984 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000175170151 883352442 /nfs/dbraw/zinc/35/24/42/883352442.db2.gz ZFTRYMJFHFMKFD-HNNXBMFYSA-N -1 3 381.501 3.853 20 0 GHADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000226236903 883404830 /nfs/dbraw/zinc/40/48/30/883404830.db2.gz QTAPFBMDFXQRBD-QMMMGPOBSA-N -1 3 397.132 3.536 20 0 GHADHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000226236894 883406370 /nfs/dbraw/zinc/40/63/70/883406370.db2.gz QTAPFBMDFXQRBD-MRVPVSSYSA-N -1 3 397.132 3.536 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(-n2ccnc2)cc1 ZINC000760545726 883457568 /nfs/dbraw/zinc/45/75/68/883457568.db2.gz OVXPAPRHHULTMC-UHFFFAOYSA-N -1 3 385.420 3.545 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000078613021 883529516 /nfs/dbraw/zinc/52/95/16/883529516.db2.gz DGKCAWRAZKDSQQ-UHFFFAOYSA-N -1 3 379.331 3.663 20 0 GHADHM COC(=O)[C@@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001130107895 883659433 /nfs/dbraw/zinc/65/94/33/883659433.db2.gz CJSGXSWFVUWERQ-GFCCVEGCSA-N -1 3 392.240 3.635 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000477073748 883661081 /nfs/dbraw/zinc/66/10/81/883661081.db2.gz HELIPVAYMZUYHA-KBPBESRZSA-N -1 3 391.924 3.786 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000542501864 883684446 /nfs/dbraw/zinc/68/44/46/883684446.db2.gz BIHHCIQYBNBVNP-CQSZACIVSA-N -1 3 397.272 3.920 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccco1 ZINC000175355519 883686710 /nfs/dbraw/zinc/68/67/10/883686710.db2.gz DVMGLPJKJUQDIN-LBPRGKRZSA-N -1 3 381.397 3.558 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1F ZINC000136182053 883728752 /nfs/dbraw/zinc/72/87/52/883728752.db2.gz QBRIGDPDSRETGN-VIFPVBQESA-N -1 3 385.208 3.993 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1cnccc1C(F)(F)F ZINC001130207048 883840459 /nfs/dbraw/zinc/84/04/59/883840459.db2.gz ZOPSVFTZTBOJOV-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C(F)(F)F)cn1 ZINC000805483470 883850380 /nfs/dbraw/zinc/85/03/80/883850380.db2.gz RLVFWNHCLRKEOW-UHFFFAOYSA-N -1 3 377.677 3.638 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c([O-])c1 ZINC000190023604 884043424 /nfs/dbraw/zinc/04/34/24/884043424.db2.gz DHBIONGTXIWNLW-UHFFFAOYSA-N -1 3 394.475 3.634 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1)c1ccc(C)o1 ZINC000747284841 884226982 /nfs/dbraw/zinc/22/69/82/884226982.db2.gz WAAVVECSMKLLLC-GOSISDBHSA-N -1 3 379.478 3.575 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1 ZINC000064342509 884229190 /nfs/dbraw/zinc/22/91/90/884229190.db2.gz KGFDCTYZSWVOGA-UHFFFAOYSA-N -1 3 384.233 3.760 20 0 GHADHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000476259699 884344943 /nfs/dbraw/zinc/34/49/43/884344943.db2.gz QDKVSAGYVMDDFW-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000918838896 884419299 /nfs/dbraw/zinc/41/92/99/884419299.db2.gz MPQURUQIFUVTSC-UHFFFAOYSA-N -1 3 380.492 3.614 20 0 GHADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475827210 884514758 /nfs/dbraw/zinc/51/47/58/884514758.db2.gz DPRNJANAPYCRAG-LBPRGKRZSA-N -1 3 392.424 3.750 20 0 GHADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000286630996 912835560 /nfs/dbraw/zinc/83/55/60/912835560.db2.gz SNGRIDDZVAZIAS-ZFNAHCARSA-N -1 3 383.473 3.512 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c(C)c1 ZINC000032592413 884572142 /nfs/dbraw/zinc/57/21/42/884572142.db2.gz OFIKLJUNEDWVPR-UHFFFAOYSA-N -1 3 383.473 3.878 20 0 GHADHM Cc1cc(C)cc(OCCN(C)C(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000918939989 884628004 /nfs/dbraw/zinc/62/80/04/884628004.db2.gz UDCAULGJFJAJNK-UHFFFAOYSA-N -1 3 386.473 3.540 20 0 GHADHM O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205266 884630824 /nfs/dbraw/zinc/63/08/24/884630824.db2.gz LFEJXXOZFVOJFN-CQSZACIVSA-N -1 3 375.519 3.614 20 0 GHADHM COc1cc(C(=O)N2CCC3(CC2)c2ccccc2N=C3C)cc(OC)c1[O-] ZINC000898243977 884661516 /nfs/dbraw/zinc/66/15/16/884661516.db2.gz KWLSCPQVPMTOEE-UHFFFAOYSA-N -1 3 380.444 3.689 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCCS1 ZINC000556374006 884697767 /nfs/dbraw/zinc/69/77/67/884697767.db2.gz XGNKFCRMEIIUSL-LBPRGKRZSA-N -1 3 384.748 3.667 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CSc2ccc(Br)cc21 ZINC000495179563 884744045 /nfs/dbraw/zinc/74/40/45/884744045.db2.gz DIUDGSMWBNRJEV-ZDUSSCGKSA-N -1 3 397.269 3.940 20 0 GHADHM O=c1cc(C=Cc2cnn(Cc3ccccc3)c2Cl)nc(-c2ccncc2)[n-]1 ZINC000806562417 884814728 /nfs/dbraw/zinc/81/47/28/884814728.db2.gz IANKBVXYBCAHKA-VOTSOKGWSA-N -1 3 389.846 3.901 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000286733878 912873222 /nfs/dbraw/zinc/87/32/22/912873222.db2.gz MWBXZDFSRRWXDK-OAHLLOKOSA-N -1 3 378.428 3.633 20 0 GHADHM CCN(Cc1cccc(F)c1Br)Cc1c([O-])c(C)ncc1CO ZINC001183930711 912889974 /nfs/dbraw/zinc/88/99/74/912889974.db2.gz WDPKPPSQGGOMFZ-UHFFFAOYSA-N -1 3 383.261 3.512 20 0 GHADHM COc1cc([C@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(C)C ZINC000914877036 885097044 /nfs/dbraw/zinc/09/70/44/885097044.db2.gz NDIOBKHGRFELMD-UZUMKDMXSA-N -1 3 394.471 3.692 20 0 GHADHM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914890841 885115126 /nfs/dbraw/zinc/11/51/26/885115126.db2.gz HOZIESKIGGSOSL-NSHDSACASA-N -1 3 386.429 3.508 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(c2cccc(F)c2)CC1 ZINC000807007320 885177754 /nfs/dbraw/zinc/17/77/54/885177754.db2.gz GBQKLHZEVXLWSC-UHFFFAOYSA-N -1 3 386.373 3.965 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1Cl ZINC000117933429 885189514 /nfs/dbraw/zinc/18/95/14/885189514.db2.gz QEFDWECOKSDIBP-ZETCQYMHSA-N -1 3 382.700 3.728 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000747376748 885304249 /nfs/dbraw/zinc/30/42/49/885304249.db2.gz YZRUVLAXBQMEDJ-OCCSQVGLSA-N -1 3 379.382 3.919 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2Cl)c[nH]1 ZINC000475841710 885330445 /nfs/dbraw/zinc/33/04/45/885330445.db2.gz ZDYWIONGCLUBGZ-UHFFFAOYSA-N -1 3 390.848 3.923 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)n[n-]2)o1 ZINC000919326677 885336396 /nfs/dbraw/zinc/33/63/96/885336396.db2.gz AYNKEXMBLSBJCH-CZUORRHYSA-N -1 3 399.472 3.949 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)[n-]n2)o1 ZINC000919326677 885336418 /nfs/dbraw/zinc/33/64/18/885336418.db2.gz AYNKEXMBLSBJCH-CZUORRHYSA-N -1 3 399.472 3.949 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)C(C)C)n[n-]2)o1 ZINC000919329784 885349096 /nfs/dbraw/zinc/34/90/96/885349096.db2.gz UTCKCVJSQHWJIQ-LPMFXHHGSA-N -1 3 387.480 3.664 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)C(C)C)[n-]n2)o1 ZINC000919329784 885349116 /nfs/dbraw/zinc/34/91/16/885349116.db2.gz UTCKCVJSQHWJIQ-LPMFXHHGSA-N -1 3 387.480 3.664 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)C(C)C)n[n-]2)o1 ZINC000919329785 885350136 /nfs/dbraw/zinc/35/01/36/885350136.db2.gz UTCKCVJSQHWJIQ-NJSLBKSFSA-N -1 3 387.480 3.664 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)C(C)C)[n-]n2)o1 ZINC000919329785 885350153 /nfs/dbraw/zinc/35/01/53/885350153.db2.gz UTCKCVJSQHWJIQ-NJSLBKSFSA-N -1 3 387.480 3.664 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000130993558 885406194 /nfs/dbraw/zinc/40/61/94/885406194.db2.gz FMCBUUNWSVFLPB-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM [O-]c1cc(F)c(CCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)c(F)c1 ZINC001183971440 912931438 /nfs/dbraw/zinc/93/14/38/912931438.db2.gz GUXCTDWAIQRLOJ-UHFFFAOYSA-N -1 3 399.228 3.890 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(NC(=O)OC(C)(C)C)c1C ZINC000861393560 885454835 /nfs/dbraw/zinc/45/48/35/885454835.db2.gz KJZRXYZEVXYWIQ-UHFFFAOYSA-N -1 3 395.456 3.737 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C ZINC000861393560 885454839 /nfs/dbraw/zinc/45/48/39/885454839.db2.gz KJZRXYZEVXYWIQ-UHFFFAOYSA-N -1 3 395.456 3.737 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4ccccc4)no3)c2)n1 ZINC000046065699 885479901 /nfs/dbraw/zinc/47/99/01/885479901.db2.gz INDQBKZLHQCQDV-UHFFFAOYSA-N -1 3 386.411 3.907 20 0 GHADHM CCc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000303336973 885524881 /nfs/dbraw/zinc/52/48/81/885524881.db2.gz CNLZGJQZMSLMPB-UHFFFAOYSA-N -1 3 390.900 3.884 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000747408615 885572012 /nfs/dbraw/zinc/57/20/12/885572012.db2.gz QJJKJRHMUCHAKU-GASCZTMLSA-N -1 3 378.469 3.549 20 0 GHADHM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476420288 885696057 /nfs/dbraw/zinc/69/60/57/885696057.db2.gz VEROTISFYXVMGH-UHFFFAOYSA-N -1 3 385.292 3.986 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108682336 885809283 /nfs/dbraw/zinc/80/92/83/885809283.db2.gz PQPOVKRLWLXRMN-UHFFFAOYSA-N -1 3 380.836 3.595 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000861757011 885830410 /nfs/dbraw/zinc/83/04/10/885830410.db2.gz CQKRWMFKDUFVHP-IBGZPJMESA-N -1 3 388.261 3.765 20 0 GHADHM COc1cncc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1 ZINC000808527406 886461542 /nfs/dbraw/zinc/46/15/42/886461542.db2.gz GEGVWBGIOLJFJT-UHFFFAOYSA-N -1 3 388.221 3.600 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c1[O-] ZINC000556891607 886513761 /nfs/dbraw/zinc/51/37/61/886513761.db2.gz DZMCOZWRTFJMKW-UHFFFAOYSA-N -1 3 382.397 3.699 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)C[C@@H](O)c1ccccc1 ZINC000762633619 886576579 /nfs/dbraw/zinc/57/65/79/886576579.db2.gz WKHWDTUBXIAITO-SJKOYZFVSA-N -1 3 377.437 3.671 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3ccc4ccccc4c3)n[n-]c21 ZINC000808675957 886675659 /nfs/dbraw/zinc/67/56/59/886675659.db2.gz YLNXASHNLNQNIB-ZDUSSCGKSA-N -1 3 389.411 3.909 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000808675957 886675668 /nfs/dbraw/zinc/67/56/68/886675668.db2.gz YLNXASHNLNQNIB-ZDUSSCGKSA-N -1 3 389.411 3.909 20 0 GHADHM Cc1cc2occ(CC(=O)NCCNC(=O)c3ccc([O-])cc3)c2cc1C(C)C ZINC000053741242 886760715 /nfs/dbraw/zinc/76/07/15/886760715.db2.gz ODSCBIAVIMAIKX-UHFFFAOYSA-N -1 3 394.471 3.659 20 0 GHADHM CCCCn1ncc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1C ZINC000119719791 886797846 /nfs/dbraw/zinc/79/78/46/886797846.db2.gz KGKASQPJSPSSON-UHFFFAOYSA-N -1 3 379.464 3.557 20 0 GHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000315718155 887066860 /nfs/dbraw/zinc/06/68/60/887066860.db2.gz HYJCZJMEIPSOAM-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(SC(F)(F)F)c1 ZINC000863428032 887099972 /nfs/dbraw/zinc/09/99/72/887099972.db2.gz NROIRLCQBMCRPC-UHFFFAOYSA-N -1 3 383.335 3.619 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c[n-]c12 ZINC000532658341 887213201 /nfs/dbraw/zinc/21/32/01/887213201.db2.gz HGEVWTQVMHHBDD-UHFFFAOYSA-N -1 3 380.354 3.553 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1[O-] ZINC000863580159 887222022 /nfs/dbraw/zinc/22/20/22/887222022.db2.gz IPZJWECKCSZABO-IAGOWNOFSA-N -1 3 390.277 3.665 20 0 GHADHM O=C(NC1CCN(Cc2cccc([O-])c2Br)CC1)C1CCCCC1 ZINC000459327713 887374277 /nfs/dbraw/zinc/37/42/77/887374277.db2.gz OXLZEOQUJKUNKK-UHFFFAOYSA-N -1 3 395.341 3.816 20 0 GHADHM O=c1cc(CNC2(c3ccccc3)CCOCC2)c2cc(Cl)c([O-])cc2o1 ZINC000794560185 887391239 /nfs/dbraw/zinc/39/12/39/887391239.db2.gz KZSKOBDCVUHGQR-UHFFFAOYSA-N -1 3 385.847 3.948 20 0 GHADHM CC1(C)CC[C@@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707619 887441098 /nfs/dbraw/zinc/44/10/98/887441098.db2.gz OBHYIQZJLGOLRL-LLVKDONJSA-N -1 3 381.885 3.661 20 0 GHADHM CC1(C)CC[C@@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001131707619 887441101 /nfs/dbraw/zinc/44/11/01/887441101.db2.gz OBHYIQZJLGOLRL-LLVKDONJSA-N -1 3 381.885 3.661 20 0 GHADHM O=C(C=CC1CCCCC1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131707578 887441439 /nfs/dbraw/zinc/44/14/39/887441439.db2.gz MRBLDDMWICKGDR-WDZFZDKYSA-N -1 3 393.896 3.971 20 0 GHADHM O=C(/C=C\C1CCCCC1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131707578 887441442 /nfs/dbraw/zinc/44/14/42/887441442.db2.gz MRBLDDMWICKGDR-WDZFZDKYSA-N -1 3 393.896 3.971 20 0 GHADHM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000532681085 887700282 /nfs/dbraw/zinc/70/02/82/887700282.db2.gz HEPIOCZZDONLBC-BTYIYWSLSA-N -1 3 385.485 3.969 20 0 GHADHM O=C1CCCN1Cc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459371823 887793765 /nfs/dbraw/zinc/79/37/65/887793765.db2.gz KGHNJKVUODVORS-UHFFFAOYSA-N -1 3 389.293 3.567 20 0 GHADHM O=C([O-])[C@H](CNCc1cccnc1Br)Cc1ccccc1Cl ZINC000864504937 887809843 /nfs/dbraw/zinc/80/98/43/887809843.db2.gz UFSZPRFORGAAKH-ZDUSSCGKSA-N -1 3 383.673 3.531 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864517912 887821994 /nfs/dbraw/zinc/82/19/94/887821994.db2.gz PRFIVBBCOAGLPD-UHFFFAOYSA-N -1 3 377.488 3.855 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2cnn3ccc(C)nc23)s1)c1ccccc1 ZINC000106719797 887911155 /nfs/dbraw/zinc/91/11/55/887911155.db2.gz LKDFHSDFIOIGNL-CQSZACIVSA-N -1 3 378.461 3.683 20 0 GHADHM C[C@@H](CC(=O)[N-]OCc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000763186228 888148915 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CC(C)(C)c1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000244321203 888309546 /nfs/dbraw/zinc/30/95/46/888309546.db2.gz XIMNJTXNYLMICY-UHFFFAOYSA-N -1 3 386.926 3.616 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000794843589 888360870 /nfs/dbraw/zinc/36/08/70/888360870.db2.gz SIZLRJPTXMPORZ-LLVKDONJSA-N -1 3 384.402 3.539 20 0 GHADHM CC(C)Oc1cccnc1C(=O)[N-]c1nnc(-c2c(F)cccc2F)s1 ZINC001132220501 888445058 /nfs/dbraw/zinc/44/50/58/888445058.db2.gz HXANATHTOWAYID-UHFFFAOYSA-N -1 3 376.388 3.918 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)c(C)c1 ZINC000747607430 888507348 /nfs/dbraw/zinc/50/73/48/888507348.db2.gz PILWGFKFWIIXBH-KPKJPENVSA-N -1 3 389.473 3.771 20 0 GHADHM CC1=C(C)C[C@](C)(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)CC1 ZINC001132325987 888642282 /nfs/dbraw/zinc/64/22/82/888642282.db2.gz AYGYHVZPNHVLLK-QGZVFWFLSA-N -1 3 385.555 3.685 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000153837527 888698727 /nfs/dbraw/zinc/69/87/27/888698727.db2.gz ZHIHXPJDVTWHOK-GOSISDBHSA-N -1 3 375.472 3.798 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3COc4ccccc4C3)cc2)cc(=O)[n-]1 ZINC000916197665 888816336 /nfs/dbraw/zinc/81/63/36/888816336.db2.gz NOJHHMJYULTBOE-HNNXBMFYSA-N -1 3 390.443 3.530 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@H](O)c1ccc(C)cc1 ZINC000796107346 913283707 /nfs/dbraw/zinc/28/37/07/913283707.db2.gz XRMDNSJXHJNWTH-UGSOOPFHSA-N -1 3 377.437 3.589 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1cc2cc(F)ccc2o1 ZINC001184594289 913289055 /nfs/dbraw/zinc/28/90/55/913289055.db2.gz HMEXVUTZISVOEE-GOSISDBHSA-N -1 3 388.464 3.687 20 0 GHADHM O=c1[n-]c(CN[C@H](c2ccc3ccccc3c2)C(F)(F)F)nc2c1COCC2 ZINC000866630426 888984367 /nfs/dbraw/zinc/98/43/67/888984367.db2.gz PNUXDNQAMBFVJA-GOSISDBHSA-N -1 3 389.377 3.801 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)COc3ccccc3)c2)n1 ZINC000123555380 889329259 /nfs/dbraw/zinc/32/92/59/889329259.db2.gz CYAVDBXTDITISM-HNNXBMFYSA-N -1 3 377.444 3.653 20 0 GHADHM COc1cc([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cc(OC)c1OC ZINC000459385738 889440613 /nfs/dbraw/zinc/44/06/13/889440613.db2.gz AFSNSDBQKBNEBB-CQSZACIVSA-N -1 3 395.459 3.726 20 0 GHADHM O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001132783293 889529183 /nfs/dbraw/zinc/52/91/83/889529183.db2.gz DUGLWNJFIASLKO-UHFFFAOYSA-N -1 3 389.242 3.873 20 0 GHADHM O=C(O[C@H]1CCN(c2ccccc2F)C1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394146 889534720 /nfs/dbraw/zinc/53/47/20/889534720.db2.gz XUINHPAUHUNDTC-ZDUSSCGKSA-N -1 3 378.812 3.984 20 0 GHADHM CCCO[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(F)cc1C ZINC001127417236 889696619 /nfs/dbraw/zinc/69/66/19/889696619.db2.gz RUOCOBUWKRVKRM-GOSISDBHSA-N -1 3 399.422 3.903 20 0 GHADHM CCCCn1nc(C)c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1Cl ZINC000811515319 889711817 /nfs/dbraw/zinc/71/18/17/889711817.db2.gz XYTPEQUVQTZIAE-CYBMUJFWSA-N -1 3 394.869 3.536 20 0 GHADHM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc(OC)c1[O-] ZINC000811547634 889733121 /nfs/dbraw/zinc/73/31/21/889733121.db2.gz QCETWOADZAPGMD-LEWJYISDSA-N -1 3 393.439 3.614 20 0 GHADHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000533119280 889817429 /nfs/dbraw/zinc/81/74/29/889817429.db2.gz FVFNEOKMWYBIIE-SJKOYZFVSA-N -1 3 385.407 3.550 20 0 GHADHM CCCCc1ccc(NC(=S)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000811721140 889919223 /nfs/dbraw/zinc/91/92/23/889919223.db2.gz QMNSETWYPZMUFW-UHFFFAOYSA-N -1 3 384.505 3.734 20 0 GHADHM Cn1c2cc([O-])c(NC(=S)Nc3ccc4ccccc4c3)cc2n(C)c1=O ZINC000811721229 889919530 /nfs/dbraw/zinc/91/95/30/889919530.db2.gz UOFXIRVDMJHUSI-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000125245985 889923133 /nfs/dbraw/zinc/92/31/33/889923133.db2.gz DLQMIQSISLMJSI-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000125245985 889923138 /nfs/dbraw/zinc/92/31/38/889923138.db2.gz DLQMIQSISLMJSI-UHFFFAOYSA-N -1 3 396.863 3.825 20 0 GHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000064459086 889955912 /nfs/dbraw/zinc/95/59/12/889955912.db2.gz QPLMBHIJANPYDB-UHFFFAOYSA-N -1 3 378.215 3.541 20 0 GHADHM CC(C)[C@@H](CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000811858863 890054564 /nfs/dbraw/zinc/05/45/64/890054564.db2.gz ISMOBXUMKIXKNC-DOTOQJQBSA-N -1 3 399.457 3.526 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC000811878755 890081927 /nfs/dbraw/zinc/08/19/27/890081927.db2.gz NNQVHBCSPOIXEZ-DOTOQJQBSA-N -1 3 399.457 3.792 20 0 GHADHM CCCC[C@@H](CCC)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811890878 890091387 /nfs/dbraw/zinc/09/13/87/890091387.db2.gz FTHCJMCXYOTUDL-HUUCEWRRSA-N -1 3 379.467 3.693 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000125739452 890110136 /nfs/dbraw/zinc/11/01/36/890110136.db2.gz JWIGOBYCZQKFCM-NWDGAFQWSA-N -1 3 379.913 3.897 20 0 GHADHM O=S(=O)([N-]c1ccc[nH]c1=S)c1ccc(Br)cc1Cl ZINC001184781156 913429472 /nfs/dbraw/zinc/42/94/72/913429472.db2.gz HBDBDHVSZAHPEA-UHFFFAOYSA-N -1 3 379.688 3.587 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000812322381 890538370 /nfs/dbraw/zinc/53/83/70/890538370.db2.gz BUNFBFLHOQVOCA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(N2CCCCC2=O)cc1 ZINC000812386398 890598613 /nfs/dbraw/zinc/59/86/13/890598613.db2.gz STKIWGUGVMKUCR-HNNXBMFYSA-N -1 3 389.455 3.536 20 0 GHADHM CCO[C@@H](C)c1nc(CC(=O)Nc2cc(Br)ccc2[O-])cs1 ZINC000126688082 890649844 /nfs/dbraw/zinc/64/98/44/890649844.db2.gz INMVGXANFOTYLQ-VIFPVBQESA-N -1 3 385.283 3.890 20 0 GHADHM CC(C)n1cccc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315913 890749974 /nfs/dbraw/zinc/74/99/74/890749974.db2.gz NSMDPIXTWNNCJL-CQSZACIVSA-N -1 3 393.409 3.882 20 0 GHADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000127138667 890914926 /nfs/dbraw/zinc/91/49/26/890914926.db2.gz ABFALUXULJXKPA-SNVBAGLBSA-N -1 3 384.220 3.928 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)n1 ZINC000127190493 890945439 /nfs/dbraw/zinc/94/54/39/890945439.db2.gz PDSVRXHUKPXSBZ-NSHDSACASA-N -1 3 391.884 3.705 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066814907 891066557 /nfs/dbraw/zinc/06/65/57/891066557.db2.gz BXTUAQZYDODSOG-CQSZACIVSA-N -1 3 378.519 3.733 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3C[C@@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000871880235 891070399 /nfs/dbraw/zinc/07/03/99/891070399.db2.gz PRCLFOBMUIOVOV-QWQRMKEZSA-N -1 3 390.505 3.710 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1NC(=O)c1ccncc1 ZINC000067124297 891201204 /nfs/dbraw/zinc/20/12/04/891201204.db2.gz FUEHSOYKLRIWSE-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000872408795 891255142 /nfs/dbraw/zinc/25/51/42/891255142.db2.gz JXLJGHHOJQTJDT-INIZCTEOSA-N -1 3 384.498 3.590 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3ccccn3)cc2)cc1 ZINC000067296036 891255914 /nfs/dbraw/zinc/25/59/14/891255914.db2.gz FHLKYQXEGZAAIL-UHFFFAOYSA-N -1 3 382.445 3.835 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCCC1 ZINC001212072180 891548926 /nfs/dbraw/zinc/54/89/26/891548926.db2.gz LWIKVBVUFWGDBJ-UHFFFAOYSA-N -1 3 380.535 3.685 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)n1 ZINC001185022709 913584612 /nfs/dbraw/zinc/58/46/12/913584612.db2.gz VQCKVSQSUCHNAY-UHFFFAOYSA-N -1 3 392.477 3.648 20 0 GHADHM COc1ccccc1C1(CC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CCC1 ZINC001184989001 913588960 /nfs/dbraw/zinc/58/89/60/913588960.db2.gz OKLCIJOWQHWVAJ-UHFFFAOYSA-N -1 3 379.416 3.500 20 0 GHADHM O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1cc2nc(Cl)ncc2s1 ZINC001185029653 913609849 /nfs/dbraw/zinc/60/98/49/913609849.db2.gz IMGYQRGGEUMUPJ-ZDUSSCGKSA-N -1 3 385.923 3.836 20 0 GHADHM Cc1c(F)cccc1-c1noc([C@@H](N)CCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC001212097816 891969114 /nfs/dbraw/zinc/96/91/14/891969114.db2.gz KXLBOQZKIRHVDJ-KRWDZBQOSA-N -1 3 395.390 3.629 20 0 GHADHM Cc1nc(NC=C2C(=O)[N-]C(=O)c3ccccc32)sc1Cc1ccc(F)cc1 ZINC000917602338 892271487 /nfs/dbraw/zinc/27/14/87/892271487.db2.gz GKBZALJVXHPNOX-BOPFTXTBSA-N -1 3 393.443 3.904 20 0 GHADHM CC(C)c1nsc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)n1 ZINC000874693185 892301015 /nfs/dbraw/zinc/30/10/15/892301015.db2.gz TWPOPRUAPJXTFC-UHFFFAOYSA-N -1 3 382.371 3.513 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OCC(F)(F)F ZINC000262717315 892331405 /nfs/dbraw/zinc/33/14/05/892331405.db2.gz STIOLLUBGHBTCP-KRWDZBQOSA-N -1 3 383.366 3.942 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263137401 892448124 /nfs/dbraw/zinc/44/81/24/892448124.db2.gz DHNADCTULBZQKB-AOIWGVFYSA-N -1 3 396.487 3.635 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)nc1Cl ZINC000814284307 892491294 /nfs/dbraw/zinc/49/12/94/892491294.db2.gz QHGNMPFPBBTGCE-UMSPYCQHSA-N -1 3 375.252 3.752 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000263308978 892517145 /nfs/dbraw/zinc/51/71/45/892517145.db2.gz HSFHKEZWPIUJLV-POAQFYNOSA-N -1 3 386.536 3.690 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Br)cc1 ZINC001134273972 892557924 /nfs/dbraw/zinc/55/79/24/892557924.db2.gz GQROZGJFNMLLEI-GFCCVEGCSA-N -1 3 385.261 3.824 20 0 GHADHM CCC[C@H](NCc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263442883 892561251 /nfs/dbraw/zinc/56/12/51/892561251.db2.gz XBICKGLHSJDRHQ-NRFANRHFSA-N -1 3 395.503 3.882 20 0 GHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000263534610 892589315 /nfs/dbraw/zinc/58/93/15/892589315.db2.gz YLXZQOHXCDLWNQ-SCLBCKFNSA-N -1 3 390.281 3.526 20 0 GHADHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000497966632 892828928 /nfs/dbraw/zinc/82/89/28/892828928.db2.gz FLVGNRGCQFENGF-UHFFFAOYSA-N -1 3 376.906 3.754 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3c[n-]c(C(=O)OC)c3)cs2)cc1 ZINC000814529784 892862279 /nfs/dbraw/zinc/86/22/79/892862279.db2.gz RIWAVZZEOBUIHG-UHFFFAOYSA-N -1 3 386.429 3.681 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccccc1-c1ncc2n1CCCC2 ZINC000562925458 893172425 /nfs/dbraw/zinc/17/24/25/893172425.db2.gz DRSFBAYSVPGBJN-UHFFFAOYSA-N -1 3 381.501 3.871 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)(C)c1cn(C(C)C)nn1 ZINC000562931661 893183704 /nfs/dbraw/zinc/18/37/04/893183704.db2.gz KXPHLCWCOCXTGE-UHFFFAOYSA-N -1 3 396.900 3.781 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(F)(F)F)c1ccc(-c2cnco2)cc1 ZINC001185247670 913759639 /nfs/dbraw/zinc/75/96/39/913759639.db2.gz LPGCKZWSFFUBNE-INIZCTEOSA-N -1 3 398.362 3.629 20 0 GHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccccc1 ZINC001185253409 913762063 /nfs/dbraw/zinc/76/20/63/913762063.db2.gz ZJJHMPXOAWSEHQ-ZDUSSCGKSA-N -1 3 379.869 3.594 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000815125937 893459807 /nfs/dbraw/zinc/45/98/07/893459807.db2.gz DDXIZSXJJBHVKN-ZDUSSCGKSA-N -1 3 378.875 3.997 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)c1F ZINC001185317560 913774081 /nfs/dbraw/zinc/77/40/81/913774081.db2.gz MKVHSPDUBBLIMH-DGCLKSJQSA-N -1 3 389.464 3.635 20 0 GHADHM O=c1cc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nc(C2CC2)[n-]1 ZINC000459422282 893502381 /nfs/dbraw/zinc/50/23/81/893502381.db2.gz ZEOXTUDEUJHDNX-MRXNPFEDSA-N -1 3 379.382 3.652 20 0 GHADHM Cn1cc(CCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000129510904 893526325 /nfs/dbraw/zinc/52/63/25/893526325.db2.gz YTGDMQNJGFMAAO-UHFFFAOYSA-N -1 3 378.457 3.974 20 0 GHADHM COc1cccc2c1CCN(Cc1cc(Br)ccc1C(=O)[O-])CC2 ZINC000563282894 893561697 /nfs/dbraw/zinc/56/16/97/893561697.db2.gz LBLXKRAYTINECB-UHFFFAOYSA-N -1 3 390.277 3.757 20 0 GHADHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934361194 893571565 /nfs/dbraw/zinc/57/15/65/893571565.db2.gz AWKQFVHRLMQMAL-VHSXEESVSA-N -1 3 388.336 3.905 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459466614 893582576 /nfs/dbraw/zinc/58/25/76/893582576.db2.gz ORXVBKPZXHMATD-UHFFFAOYSA-N -1 3 392.297 3.974 20 0 GHADHM COC(=O)[C@@H](NCc1cccc([O-])c1Br)c1cc(C)cc(C)c1 ZINC000459503498 893645703 /nfs/dbraw/zinc/64/57/03/893645703.db2.gz QIMYHSWWNVOSFQ-KRWDZBQOSA-N -1 3 378.266 3.775 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3coc4cc(F)ccc34)nc21 ZINC001134940600 893647122 /nfs/dbraw/zinc/64/71/22/893647122.db2.gz ILQIPWYZYQEHDO-UHFFFAOYSA-N -1 3 381.363 3.806 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OC(F)(F)F)nc21 ZINC001134941223 893648393 /nfs/dbraw/zinc/64/83/93/893648393.db2.gz WHADRHKKDLKVEQ-UHFFFAOYSA-N -1 3 393.321 3.891 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000536734608 893649202 /nfs/dbraw/zinc/64/92/02/893649202.db2.gz XEHPGSBQEHUIEA-UHFFFAOYSA-N -1 3 386.337 3.543 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000536734608 893649211 /nfs/dbraw/zinc/64/92/11/893649211.db2.gz XEHPGSBQEHUIEA-UHFFFAOYSA-N -1 3 386.337 3.543 20 0 GHADHM CCOc1cc(CNc2ccc(C(=O)N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000459518301 893685412 /nfs/dbraw/zinc/68/54/12/893685412.db2.gz STRSLFTZVUUCMO-UHFFFAOYSA-N -1 3 390.867 3.529 20 0 GHADHM CCCc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000918437978 893722575 /nfs/dbraw/zinc/72/25/75/893722575.db2.gz MQZXWJLODPVFHI-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM CCC[C@@H](CC)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134978289 893762013 /nfs/dbraw/zinc/76/20/13/893762013.db2.gz MFPXKHGZESCJNI-SECBINFHSA-N -1 3 382.258 3.877 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ncccc1[O-] ZINC000069741704 893789666 /nfs/dbraw/zinc/78/96/66/893789666.db2.gz AXMSZPHFBAYSBG-KRWDZBQOSA-N -1 3 395.846 3.941 20 0 GHADHM CCOc1cc(CNCc2ncc(Br)s2)cc(Cl)c1[O-] ZINC000877767059 893803120 /nfs/dbraw/zinc/80/31/20/893803120.db2.gz UMHIUTITYWHCFV-UHFFFAOYSA-N -1 3 377.691 3.953 20 0 GHADHM Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)ccc1Br ZINC000022474970 893979524 /nfs/dbraw/zinc/97/95/24/893979524.db2.gz PETMMEDRPQSJKV-NSHDSACASA-N -1 3 378.222 3.647 20 0 GHADHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1)N1CCOCC1 ZINC000288634694 913825429 /nfs/dbraw/zinc/82/54/29/913825429.db2.gz SBZZVBYNBRWFDG-CQSZACIVSA-N -1 3 396.459 3.818 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cc1F ZINC001185382466 913828659 /nfs/dbraw/zinc/82/86/59/913828659.db2.gz NBEXVUSUYRGNGC-UHFFFAOYSA-N -1 3 393.333 3.665 20 0 GHADHM CCOC(=O)CN(Cc1nnc(-c2ccccc2[O-])o1)[C@H](C)c1ccccc1 ZINC000878298112 894174200 /nfs/dbraw/zinc/17/42/00/894174200.db2.gz GKUZFXIQSQXYOQ-OAHLLOKOSA-N -1 3 381.432 3.569 20 0 GHADHM O=c1[n-]c(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)nc2c1COCC2 ZINC000878300488 894177634 /nfs/dbraw/zinc/17/76/34/894177634.db2.gz FXWDBDFWVPCCQK-QFIPXVFZSA-N -1 3 387.483 3.597 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000563799706 894207093 /nfs/dbraw/zinc/20/70/93/894207093.db2.gz FINSNIVFBTUWMB-OAHLLOKOSA-N -1 3 389.546 3.890 20 0 GHADHM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC001135296468 894333297 /nfs/dbraw/zinc/33/32/97/894333297.db2.gz UVBOFDOLLNJPLX-SFHVURJKSA-N -1 3 386.517 3.778 20 0 GHADHM COc1ccccc1CN1CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)CC1 ZINC000563960583 894376111 /nfs/dbraw/zinc/37/61/11/894376111.db2.gz UJKBWMALXKJCMJ-UHFFFAOYSA-N -1 3 391.471 3.572 20 0 GHADHM Cn1cc(Oc2ccccc2C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC000564100671 894595173 /nfs/dbraw/zinc/59/51/73/894595173.db2.gz COOWXJKCJULAIQ-UHFFFAOYSA-N -1 3 388.221 3.933 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2n[n-]c(-c3ccccc3)c2Br)CCO1 ZINC000778366655 894673650 /nfs/dbraw/zinc/67/36/50/894673650.db2.gz ZSMOQXQYYVAZMF-VXGBXAGGSA-N -1 3 379.254 3.811 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)o1 ZINC000878921561 894723240 /nfs/dbraw/zinc/72/32/40/894723240.db2.gz UKIJSPIKVGBNHV-LBPRGKRZSA-N -1 3 391.353 3.588 20 0 GHADHM C[C@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCO1 ZINC000537388041 894879252 /nfs/dbraw/zinc/87/92/52/894879252.db2.gz ATDYDYWIFBIFPO-UWVGGRQHSA-N -1 3 398.688 3.668 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000460275321 894957529 /nfs/dbraw/zinc/95/75/29/894957529.db2.gz SILOEZSYEBTDKL-UHFFFAOYSA-N -1 3 392.459 3.530 20 0 GHADHM CCSCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000455854581 895048432 /nfs/dbraw/zinc/04/84/32/895048432.db2.gz GYRLQVUQRCVJSJ-UHFFFAOYSA-N -1 3 399.516 3.635 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000816793968 895078973 /nfs/dbraw/zinc/07/89/73/895078973.db2.gz VDERAANGJUXBCM-YADHBBJMSA-N -1 3 390.439 3.555 20 0 GHADHM CCCCN1CCc2ccc([N-]S(=O)(=O)c3ccc(CCOC)cc3)cc21 ZINC000760325147 895190758 /nfs/dbraw/zinc/19/07/58/895190758.db2.gz IVHRFVHPDIFVKG-UHFFFAOYSA-N -1 3 388.533 3.839 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([O-])ccc3Cl)CC[C@@H]21 ZINC000817004120 895256528 /nfs/dbraw/zinc/25/65/28/895256528.db2.gz UBTVRTHFBWJXGI-WBMJQRKESA-N -1 3 380.872 3.517 20 0 GHADHM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000817084475 895323796 /nfs/dbraw/zinc/32/37/96/895323796.db2.gz FRISPAXUVZRRFV-UHFFFAOYSA-N -1 3 375.343 3.677 20 0 GHADHM Cc1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n(-c2ccccc2)n1 ZINC000565297396 895514741 /nfs/dbraw/zinc/51/47/41/895514741.db2.gz NFLPMIVOFLZZOO-UHFFFAOYSA-N -1 3 379.807 3.558 20 0 GHADHM CSCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000774900378 913978366 /nfs/dbraw/zinc/97/83/66/913978366.db2.gz UVLRLPOXBNIIKV-UHFFFAOYSA-N -1 3 383.466 3.536 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)n(Cc2ccccc2)n1 ZINC000565432094 895619899 /nfs/dbraw/zinc/61/98/99/895619899.db2.gz LLBPESHPNJKDTD-UHFFFAOYSA-N -1 3 391.475 3.854 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000817642029 895812832 /nfs/dbraw/zinc/81/28/32/895812832.db2.gz QPXLXVLCYRJJTQ-SJORKVTESA-N -1 3 388.508 3.892 20 0 GHADHM COc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc(OC)c1C(C)C ZINC000826180690 895827804 /nfs/dbraw/zinc/82/78/04/895827804.db2.gz SIFCGDWQEQXVAI-UHFFFAOYSA-N -1 3 396.451 3.960 20 0 GHADHM COc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc(OC)c1C(C)C ZINC000826180690 895827815 /nfs/dbraw/zinc/82/78/15/895827815.db2.gz SIFCGDWQEQXVAI-UHFFFAOYSA-N -1 3 396.451 3.960 20 0 GHADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826192092 895989096 /nfs/dbraw/zinc/98/90/96/895989096.db2.gz ZPGOSLNPOYJWBN-CQSZACIVSA-N -1 3 394.479 3.526 20 0 GHADHM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826192092 895989109 /nfs/dbraw/zinc/98/91/09/895989109.db2.gz ZPGOSLNPOYJWBN-CQSZACIVSA-N -1 3 394.479 3.526 20 0 GHADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1Cl ZINC001136168879 896277106 /nfs/dbraw/zinc/27/71/06/896277106.db2.gz QKDYVBYNCRHIIQ-UHFFFAOYSA-N -1 3 396.877 3.884 20 0 GHADHM CCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1cccc(Cl)c1 ZINC000566449303 896320316 /nfs/dbraw/zinc/32/03/16/896320316.db2.gz LCXZLDRKPXQHKS-UHFFFAOYSA-N -1 3 383.839 3.713 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC001185754935 914063523 /nfs/dbraw/zinc/06/35/23/914063523.db2.gz ZOBMPFSZYUIGFV-UHFFFAOYSA-N -1 3 380.279 3.598 20 0 GHADHM CC(C)(C)c1nnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000881819448 896539440 /nfs/dbraw/zinc/53/94/40/896539440.db2.gz UBSONRDPNVWLFP-UHFFFAOYSA-N -1 3 378.860 3.581 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H]2C(C)C)cc1 ZINC000826255215 896730200 /nfs/dbraw/zinc/73/02/00/896730200.db2.gz PKYDREYVRQNFSS-GOSISDBHSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H]2C(C)C)cc1 ZINC000826255215 896730216 /nfs/dbraw/zinc/73/02/16/896730216.db2.gz PKYDREYVRQNFSS-GOSISDBHSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC=C(F)C2)cc1 ZINC000826255384 896742991 /nfs/dbraw/zinc/74/29/91/896742991.db2.gz WMRDYSONHVFBAW-UHFFFAOYSA-N -1 3 379.395 3.667 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC=C(F)C2)cc1 ZINC000826255384 896742993 /nfs/dbraw/zinc/74/29/93/896742993.db2.gz WMRDYSONHVFBAW-UHFFFAOYSA-N -1 3 379.395 3.667 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cc1O ZINC000826282540 896867595 /nfs/dbraw/zinc/86/75/95/896867595.db2.gz TYKBODPGGYANGZ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cc1O ZINC000826282540 896867604 /nfs/dbraw/zinc/86/76/04/896867604.db2.gz TYKBODPGGYANGZ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCCC12CCC2 ZINC000567113425 896884320 /nfs/dbraw/zinc/88/43/20/896884320.db2.gz HFPKVIKKDIBUSL-FQEVSTJZSA-N -1 3 378.472 3.799 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826286527 896949786 /nfs/dbraw/zinc/94/97/86/896949786.db2.gz GAOPCEYGISUOJL-QGZVFWFLSA-N -1 3 387.487 3.670 20 0 GHADHM Cc1ccc(C[C@@H](C)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826286527 896949796 /nfs/dbraw/zinc/94/97/96/896949796.db2.gz GAOPCEYGISUOJL-QGZVFWFLSA-N -1 3 387.487 3.670 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(c3)CCN4C)nc(=O)c2c1C ZINC000778575388 896987766 /nfs/dbraw/zinc/98/77/66/896987766.db2.gz XAPXYIRNXDPKQT-NSHDSACASA-N -1 3 383.473 3.924 20 0 GHADHM CSc1ccc2ncnc(NCc3ccc([O-])c(Br)c3)c2c1 ZINC000567483517 897193095 /nfs/dbraw/zinc/19/30/95/897193095.db2.gz GKTCXCKLUHYQOX-UHFFFAOYSA-N -1 3 376.279 3.854 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000026809637 897301614 /nfs/dbraw/zinc/30/16/14/897301614.db2.gz TTWKUKJOKFWLTJ-UHFFFAOYSA-N -1 3 396.468 3.565 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2ccccc2N2CCCCC2)c1 ZINC000820415635 897335189 /nfs/dbraw/zinc/33/51/89/897335189.db2.gz BPKLBMZQQBGGKW-HHHXNRCGSA-N -1 3 387.501 3.537 20 0 GHADHM C[C@@]1(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)CCCO1 ZINC000820570443 897399337 /nfs/dbraw/zinc/39/93/37/897399337.db2.gz JWVSRORZCDKKOI-FQEVSTJZSA-N -1 3 397.866 3.622 20 0 GHADHM C[C@@]1(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)CCCO1 ZINC000820570443 897399347 /nfs/dbraw/zinc/39/93/47/897399347.db2.gz JWVSRORZCDKKOI-FQEVSTJZSA-N -1 3 397.866 3.622 20 0 GHADHM CCCCc1nnc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)s1 ZINC001136357993 897417888 /nfs/dbraw/zinc/41/78/88/897417888.db2.gz ADCLQLSMOSMSAA-UHFFFAOYSA-N -1 3 384.461 3.818 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)ccc1F ZINC000820798489 897556735 /nfs/dbraw/zinc/55/67/35/897556735.db2.gz UFSICDRREREHOL-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1noc(C2CC2)c1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826339395 897813678 /nfs/dbraw/zinc/81/36/78/897813678.db2.gz CEFSBPGJZNSGIL-UHFFFAOYSA-N -1 3 384.465 3.623 20 0 GHADHM Cc1noc(C2CC2)c1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826339395 897813681 /nfs/dbraw/zinc/81/36/81/897813681.db2.gz CEFSBPGJZNSGIL-UHFFFAOYSA-N -1 3 384.465 3.623 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000101849290 897973052 /nfs/dbraw/zinc/97/30/52/897973052.db2.gz KTKYAKFKKBRDTF-JTQLQIEISA-N -1 3 382.291 3.546 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1nccnc1C1CC1 ZINC001185929468 914209507 /nfs/dbraw/zinc/20/95/07/914209507.db2.gz GAPMYPBJECZHPK-UHFFFAOYSA-N -1 3 396.491 3.769 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC001275483880 914211066 /nfs/dbraw/zinc/21/10/66/914211066.db2.gz SWAFOORBBNFVGQ-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)c2)cs1 ZINC001275483863 914211163 /nfs/dbraw/zinc/21/11/63/914211163.db2.gz SJWXFYQPRCJASX-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)c2)cs1 ZINC001275483863 914211172 /nfs/dbraw/zinc/21/11/72/914211172.db2.gz SJWXFYQPRCJASX-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CCC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000102615431 898018787 /nfs/dbraw/zinc/01/87/87/898018787.db2.gz JDTMUZBEOORARH-QGZVFWFLSA-N -1 3 395.425 3.996 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)sc2C)s1 ZINC000103412672 898089580 /nfs/dbraw/zinc/08/95/80/898089580.db2.gz WVTFVGOSUDVMPJ-UHFFFAOYSA-N -1 3 388.518 3.760 20 0 GHADHM Cn1cc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c(-c2ccccc2)n1 ZINC000826361786 898132953 /nfs/dbraw/zinc/13/29/53/898132953.db2.gz OQOMWGKIYBEEGS-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cn1cc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(-c2ccccc2)n1 ZINC000826361786 898132959 /nfs/dbraw/zinc/13/29/59/898132959.db2.gz OQOMWGKIYBEEGS-UHFFFAOYSA-N -1 3 399.380 3.898 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)c(I)c(F)c2)c1 ZINC001136551457 898245452 /nfs/dbraw/zinc/24/54/52/898245452.db2.gz BSYBIVJNUBEUDP-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM FC(F)Oc1ccccc1[C@H](NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826370116 898246021 /nfs/dbraw/zinc/24/60/21/898246021.db2.gz DZWMLMNSODKBSD-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1ccccc1[C@H](NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826370116 898246035 /nfs/dbraw/zinc/24/60/35/898246035.db2.gz DZWMLMNSODKBSD-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)[C@@H](C)CO2)c1 ZINC000822232039 898261780 /nfs/dbraw/zinc/26/17/80/898261780.db2.gz RLXLMQLIIGBTIG-MGPUTAFESA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)[C@@H](C)CO2)c1 ZINC000822232039 898261791 /nfs/dbraw/zinc/26/17/91/898261791.db2.gz RLXLMQLIIGBTIG-MGPUTAFESA-N -1 3 381.455 3.585 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000883975488 898298964 /nfs/dbraw/zinc/29/89/64/898298964.db2.gz QXFMXYAPWHESSL-UHFFFAOYSA-N -1 3 377.828 3.681 20 0 GHADHM CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569119615 898351988 /nfs/dbraw/zinc/35/19/88/898351988.db2.gz UTRCNJIGWRCVIL-ZDUSSCGKSA-N -1 3 390.281 3.573 20 0 GHADHM Fc1cc(F)cc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826373000 898411198 /nfs/dbraw/zinc/41/11/98/898411198.db2.gz VKVIMBMPQVOJLL-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1cc(F)cc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826373000 898411205 /nfs/dbraw/zinc/41/12/05/898411205.db2.gz VKVIMBMPQVOJLL-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM CCc1cccc(CC)c1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289611619 914263673 /nfs/dbraw/zinc/26/36/73/914263673.db2.gz VTSNGQZYQUBCFT-ZDUSSCGKSA-N -1 3 385.430 3.734 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1cccnc1C(F)(F)F ZINC000569394366 898614434 /nfs/dbraw/zinc/61/44/34/898614434.db2.gz SSUWLQPQRZVEHI-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001136634681 898658492 /nfs/dbraw/zinc/65/84/92/898658492.db2.gz MELPLJARQXPFTN-UHFFFAOYSA-N -1 3 377.440 3.793 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC001186044054 914279603 /nfs/dbraw/zinc/27/96/03/914279603.db2.gz UNLUKVFKFQUXFM-AWEZNQCLSA-N -1 3 389.786 3.798 20 0 GHADHM O=C(Nc1ccnn1C1CCCC1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000823000094 898787655 /nfs/dbraw/zinc/78/76/55/898787655.db2.gz VAHWRZDMMOWPRV-UHFFFAOYSA-N -1 3 378.432 3.936 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823040843 898804226 /nfs/dbraw/zinc/80/42/26/898804226.db2.gz QDQNHEURYLLVQT-UHFFFAOYSA-N -1 3 397.797 3.830 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823040843 898804241 /nfs/dbraw/zinc/80/42/41/898804241.db2.gz QDQNHEURYLLVQT-UHFFFAOYSA-N -1 3 397.797 3.830 20 0 GHADHM COC(=O)c1cc(-c2csc(NC(=O)c3cc4c(cc3[O-])CCCC4)n2)c[nH]1 ZINC001136665893 898813673 /nfs/dbraw/zinc/81/36/73/898813673.db2.gz GHEOUTOVVLSLMV-UHFFFAOYSA-N -1 3 397.456 3.762 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC001136728697 899063789 /nfs/dbraw/zinc/06/37/89/899063789.db2.gz IRZQBHLYHABESJ-OAQYLSRUSA-N -1 3 377.396 3.649 20 0 GHADHM Cc1nc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)c(C)o1 ZINC000570181490 899179197 /nfs/dbraw/zinc/17/91/97/899179197.db2.gz DVYFIYMJSLMMSD-UHFFFAOYSA-N -1 3 379.239 3.825 20 0 GHADHM Brc1ccc(NCc2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000823832677 899261682 /nfs/dbraw/zinc/26/16/82/899261682.db2.gz SKRLYEINKPUFCU-UHFFFAOYSA-N -1 3 388.273 3.553 20 0 GHADHM Brc1ccc(NCc2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000823832677 899261690 /nfs/dbraw/zinc/26/16/90/899261690.db2.gz SKRLYEINKPUFCU-UHFFFAOYSA-N -1 3 388.273 3.553 20 0 GHADHM C(=C/[C@@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)\c1ccccc1 ZINC000823861329 899284042 /nfs/dbraw/zinc/28/40/42/899284042.db2.gz DTQWCOSHFSWFBO-CWRQFWGNSA-N -1 3 399.458 3.595 20 0 GHADHM O=C(NCCCCn1cc(Br)cn1)c1cc([O-])c2ccccc2c1 ZINC000570443545 899321254 /nfs/dbraw/zinc/32/12/54/899321254.db2.gz ZMXVPUDABXOFES-UHFFFAOYSA-N -1 3 388.265 3.715 20 0 GHADHM Cc1ccc([C@@H]2COCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)o1 ZINC000116894344 899327418 /nfs/dbraw/zinc/32/74/18/899327418.db2.gz MYKCMCLNRSTAPL-AWEZNQCLSA-N -1 3 397.456 3.720 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000824154342 899430862 /nfs/dbraw/zinc/43/08/62/899430862.db2.gz NONWDEVIHJQOJI-LUAWRHEFSA-N -1 3 377.391 3.547 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266283 899473382 /nfs/dbraw/zinc/47/33/82/899473382.db2.gz JHRUCOGQQIUMDO-CVEARBPZSA-N -1 3 393.491 3.772 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266283 899473389 /nfs/dbraw/zinc/47/33/89/899473389.db2.gz JHRUCOGQQIUMDO-CVEARBPZSA-N -1 3 393.491 3.772 20 0 GHADHM C[C@@H](NC(=O)N1CCC1(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824492070 899634896 /nfs/dbraw/zinc/63/48/96/899634896.db2.gz XNERKNXOGRSDFN-CQSZACIVSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NC(=O)N1CCC1(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824492070 899634907 /nfs/dbraw/zinc/63/49/07/899634907.db2.gz XNERKNXOGRSDFN-CQSZACIVSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NC(=O)NC1(C)CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500668 899669743 /nfs/dbraw/zinc/66/97/43/899669743.db2.gz ZBTOTBHUORSYQH-CQSZACIVSA-N -1 3 376.464 3.837 20 0 GHADHM C[C@@H](NC(=O)NC1(C)CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824500668 899669748 /nfs/dbraw/zinc/66/97/48/899669748.db2.gz ZBTOTBHUORSYQH-CQSZACIVSA-N -1 3 376.464 3.837 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@@H]1C ZINC000332541704 899749460 /nfs/dbraw/zinc/74/94/60/899749460.db2.gz XIJHUCLIDSLKTO-HUUCEWRRSA-N -1 3 390.480 3.887 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc(Cl)c(N)c3)nc(=O)c2c1C ZINC000774987994 914381019 /nfs/dbraw/zinc/38/10/19/914381019.db2.gz FXAMPHXEEOELMQ-SSDOTTSWSA-N -1 3 378.841 3.562 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000571475067 899879070 /nfs/dbraw/zinc/87/90/70/899879070.db2.gz KIVNWRULUNASGL-RTBURBONSA-N -1 3 385.460 3.728 20 0 GHADHM O=C(NC[C@@H](CO)Cc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136960486 899887248 /nfs/dbraw/zinc/88/72/48/899887248.db2.gz WWYWCMFKBYLWJB-SFHVURJKSA-N -1 3 377.440 3.766 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000333006479 899888611 /nfs/dbraw/zinc/88/86/11/899888611.db2.gz AFEZRIOQMKVQMH-GOSISDBHSA-N -1 3 394.446 3.604 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000333013312 899891223 /nfs/dbraw/zinc/89/12/23/899891223.db2.gz BPBROIHJVLCCLB-KZNAEPCWSA-N -1 3 384.520 3.720 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000824976031 899923746 /nfs/dbraw/zinc/92/37/46/899923746.db2.gz LXUQETAZTZAHBW-CJNGLKHVSA-N -1 3 381.867 3.786 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000824976031 899923754 /nfs/dbraw/zinc/92/37/54/899923754.db2.gz LXUQETAZTZAHBW-CJNGLKHVSA-N -1 3 381.867 3.786 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000825182018 900014182 /nfs/dbraw/zinc/01/41/82/900014182.db2.gz HHBWLGFFVBFKEB-JSNMRZPZSA-N -1 3 391.475 3.669 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000825182018 900014190 /nfs/dbraw/zinc/01/41/90/900014190.db2.gz HHBWLGFFVBFKEB-JSNMRZPZSA-N -1 3 391.475 3.669 20 0 GHADHM 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20 0 GHADHM Cc1cccc2c(CC(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])noc21 ZINC001186543981 914631804 /nfs/dbraw/zinc/63/18/04/914631804.db2.gz XVVPPZCJJVLSAR-UHFFFAOYSA-N -1 3 382.416 3.978 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC001144632338 902537596 /nfs/dbraw/zinc/53/75/96/902537596.db2.gz IBPIXOBXXOFNNV-UHFFFAOYSA-N -1 3 396.340 3.813 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000577337897 902693990 /nfs/dbraw/zinc/69/39/90/902693990.db2.gz WPHQPJDXIUNPSM-UHFFFAOYSA-N -1 3 390.443 3.786 20 0 GHADHM Cc1ccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001144828241 902992536 /nfs/dbraw/zinc/99/25/36/902992536.db2.gz XPGSBPPZDSZGCD-UHFFFAOYSA-N -1 3 384.476 3.998 20 0 GHADHM CC(C)[C@H](CNC(=O)c1cc2sccc2c([O-])c1)NC(=O)OC(C)(C)C ZINC001146208408 903469835 /nfs/dbraw/zinc/46/98/35/903469835.db2.gz SAJXEONKWPGRRJ-AWEZNQCLSA-N -1 3 378.494 3.886 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nc(C)cs1 ZINC000139028007 903910437 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ZINC001186809479 914825599 /nfs/dbraw/zinc/82/55/99/914825599.db2.gz ACHJHSXNXVQFFG-GOSISDBHSA-N -1 3 379.453 3.596 20 0 GHADHM O=C(Cc1ccccc1Cc1ccc(F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC001186812078 914827677 /nfs/dbraw/zinc/82/76/77/914827677.db2.gz TWGSLTYKMJNFSN-UHFFFAOYSA-N -1 3 378.329 3.735 20 0 GHADHM O=C(Cc1ccccc1Cc1ccc(F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001186812078 914827696 /nfs/dbraw/zinc/82/76/96/914827696.db2.gz TWGSLTYKMJNFSN-UHFFFAOYSA-N -1 3 378.329 3.735 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1ccc(F)c(Cl)c1 ZINC000579531833 904677055 /nfs/dbraw/zinc/67/70/55/904677055.db2.gz IGPBFOFPOLTDBV-UHFFFAOYSA-N -1 3 381.194 3.980 20 0 GHADHM O=C(N1CCc2c(=O)[n-]cnc2C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000579642552 904765861 /nfs/dbraw/zinc/76/58/61/904765861.db2.gz NEILEIMRRBVVQS-UHFFFAOYSA-N -1 3 391.393 3.598 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)cc1[O-] ZINC000890478263 905069618 /nfs/dbraw/zinc/06/96/18/905069618.db2.gz BAXJQTNWLMCCNB-UHFFFAOYSA-N -1 3 385.847 3.983 20 0 GHADHM O=C(C[C@H]1C=CCCC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171916212 905146574 /nfs/dbraw/zinc/14/65/74/905146574.db2.gz YOWLLLPXPSJNQS-GJZGRUSLSA-N -1 3 380.410 3.932 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(C2CCOCC2)cc1)OCC ZINC001212651299 905475102 /nfs/dbraw/zinc/47/51/02/905475102.db2.gz DWQUINZESXPXHF-UHFFFAOYSA-N -1 3 387.480 3.761 20 0 GHADHM Cc1ccc(CN(CC2CC2)C(=O)c2cc([O-])cc(Br)c2)cn1 ZINC000627915261 905832216 /nfs/dbraw/zinc/83/22/16/905832216.db2.gz SUIAEDSMIOUDES-UHFFFAOYSA-N -1 3 375.266 3.911 20 0 GHADHM Cc1c2cccc(Cl)c2sc1CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901525989 921203648 /nfs/dbraw/zinc/20/36/48/921203648.db2.gz LDKPVKQYNGVEIH-GFCCVEGCSA-N -1 3 390.896 3.990 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000178758141 906380573 /nfs/dbraw/zinc/38/05/73/906380573.db2.gz PUOAFPUVPAUFCE-LJQANCHMSA-N -1 3 399.472 3.808 20 0 GHADHM CCOCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000628953414 906384414 /nfs/dbraw/zinc/38/44/14/906384414.db2.gz YMZZVSLEOHJMHG-FQEVSTJZSA-N -1 3 382.460 3.517 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000179518944 906517572 /nfs/dbraw/zinc/51/75/72/906517572.db2.gz YYXOCZCRWDQRHK-UHFFFAOYSA-N -1 3 383.448 3.737 20 0 GHADHM COCCN(Cc1cccnc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299210504 921252130 /nfs/dbraw/zinc/25/21/30/921252130.db2.gz GVBCECJPQZYGKH-UHFFFAOYSA-N -1 3 396.472 3.701 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2ccc(C(F)(F)F)cc2Br)no1 ZINC001212754771 906677808 /nfs/dbraw/zinc/67/78/08/906677808.db2.gz NDOLLPXPLFFQDV-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2ccc3c(c2)CO[C@@H]3c2ccc(F)cc2)no1 ZINC001212753943 906695487 /nfs/dbraw/zinc/69/54/87/906695487.db2.gz WDDIYLXODQRKNC-QGZVFWFLSA-N -1 3 376.347 3.658 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)[O-])cs1 ZINC000629377674 906748521 /nfs/dbraw/zinc/74/85/21/906748521.db2.gz OHRQGDAODREGDP-ZYHUDNBSSA-N -1 3 381.295 3.982 20 0 GHADHM Nc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccc([O-])c(F)c2)cc1 ZINC001174737672 907184438 /nfs/dbraw/zinc/18/44/38/907184438.db2.gz DKMJJWCCZSTFLN-UHFFFAOYSA-N -1 3 386.448 3.552 20 0 GHADHM CC(C)=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000191846810 907276670 /nfs/dbraw/zinc/27/66/70/907276670.db2.gz SPXPAUYCYBTGBF-UHFFFAOYSA-N -1 3 396.871 3.976 20 0 GHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000183309021 907367274 /nfs/dbraw/zinc/36/72/74/907367274.db2.gz OKWDWTNEWUZUIN-FZKQIMNGSA-N -1 3 385.464 3.982 20 0 GHADHM CCOC(=O)c1sc(C2CCN(C(=O)c3c(C)cccc3[O-])CC2)nc1C ZINC001175153815 907380923 /nfs/dbraw/zinc/38/09/23/907380923.db2.gz IBHIELWSSXMMCV-UHFFFAOYSA-N -1 3 388.489 3.662 20 0 GHADHM C[C@H](CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1nccs1 ZINC000183954510 907485308 /nfs/dbraw/zinc/48/53/08/907485308.db2.gz RJXXMAGNJCVFFM-LLVKDONJSA-N -1 3 386.502 3.937 20 0 GHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)n(-c2ccc(Br)cc2)n1 ZINC001175428633 907548219 /nfs/dbraw/zinc/54/82/19/907548219.db2.gz NRXRNZJREGZHMJ-UHFFFAOYSA-N -1 3 396.252 3.867 20 0 GHADHM Brc1ccccc1Cn1nccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428343 907549238 /nfs/dbraw/zinc/54/92/38/907549238.db2.gz YSKLQZJSYHHBRX-UHFFFAOYSA-N -1 3 396.252 3.618 20 0 GHADHM CCn1nc(C)c(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1C ZINC000631456732 907717611 /nfs/dbraw/zinc/71/76/11/907717611.db2.gz MRGRGCHTVCKZEC-UHFFFAOYSA-N -1 3 394.479 3.655 20 0 GHADHM CCc1cc2c(CN3CC[C@H](C(F)(F)F)O[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC001175870407 907809624 /nfs/dbraw/zinc/80/96/24/907809624.db2.gz GOMCPVRUCNRCEO-PIGZYNQJSA-N -1 3 385.382 3.603 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000185820509 907839528 /nfs/dbraw/zinc/83/95/28/907839528.db2.gz AEYVLQLJYYHPFE-UHFFFAOYSA-N -1 3 392.249 3.544 20 0 GHADHM Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000632139652 907953362 /nfs/dbraw/zinc/95/33/62/907953362.db2.gz UWHCPSKPEIWNBV-VIFPVBQESA-N -1 3 383.267 3.676 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000186642078 907961133 /nfs/dbraw/zinc/96/11/33/907961133.db2.gz XWMHJKSXSYQTAD-SECBINFHSA-N -1 3 385.233 3.935 20 0 GHADHM CCCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(N)c(N)c2)cc1Cl ZINC001176186763 907964401 /nfs/dbraw/zinc/96/44/01/907964401.db2.gz DOTOBVCHEHIWKX-UHFFFAOYSA-N -1 3 390.292 3.747 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193075901 908071003 /nfs/dbraw/zinc/07/10/03/908071003.db2.gz XHEGOYNXZCPZPM-CQSZACIVSA-N -1 3 395.242 3.648 20 0 GHADHM COc1cc2c(cc1CN1CCC([C@H](CC(=O)[O-])c3ccccc3)CC1)OCO2 ZINC000901599999 921387529 /nfs/dbraw/zinc/38/75/29/921387529.db2.gz QDCMFZVOGXLBPM-LJQANCHMSA-N -1 3 397.471 3.894 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)c2ccc(OCc3ccccc3)cc2)c(=O)[n-]1 ZINC000187924469 908157335 /nfs/dbraw/zinc/15/73/35/908157335.db2.gz TXIQTBCBCPHHPL-UHFFFAOYSA-N -1 3 391.471 3.561 20 0 GHADHM CS(=O)(=O)c1ccc(Nc2cc(Br)cc(F)c2[O-])cc1F ZINC001176746527 908236940 /nfs/dbraw/zinc/23/69/40/908236940.db2.gz YRIKOUJXBXJUSA-UHFFFAOYSA-N -1 3 378.194 3.580 20 0 GHADHM Cc1cc(C)n2c(CN3CCC([C@@H](CC(=O)[O-])c4ccccc4)CC3)cnc2n1 ZINC000901604234 921392266 /nfs/dbraw/zinc/39/22/66/921392266.db2.gz WNWKHEZSNQYRQP-NRFANRHFSA-N -1 3 392.503 3.817 20 0 GHADHM O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001176794339 908253336 /nfs/dbraw/zinc/25/33/36/908253336.db2.gz QRCVEGYZXYVBMB-UHFFFAOYSA-N -1 3 383.795 3.543 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc2[nH][n-]c(=O)c2c1)c1cccs1 ZINC001177115859 908395570 /nfs/dbraw/zinc/39/55/70/908395570.db2.gz GBJBSUTZXIWVEQ-CQSZACIVSA-N -1 3 388.449 3.535 20 0 GHADHM Cc1nsc(NC2CC2)c1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633731037 908453824 /nfs/dbraw/zinc/45/38/24/908453824.db2.gz IRXDHOLPKLWGST-UHFFFAOYSA-N -1 3 399.370 3.784 20 0 GHADHM C[C@@H](SC[C@H](O)C(F)(F)F)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000191096306 908575745 /nfs/dbraw/zinc/57/57/45/908575745.db2.gz CPBJJFVFCUKKSC-XCBNKYQSSA-N -1 3 390.408 3.962 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCN2Cc2ccco2)c([O-])c1 ZINC001177628975 908682041 /nfs/dbraw/zinc/68/20/41/908682041.db2.gz ROWIUVYLKYUVGF-QGZVFWFLSA-N -1 3 386.448 3.544 20 0 GHADHM CC1(F)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000634355722 908692140 /nfs/dbraw/zinc/69/21/40/908692140.db2.gz ADKWDFFSJPKLRK-UHFFFAOYSA-N -1 3 394.443 3.591 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177649744 908701051 /nfs/dbraw/zinc/70/10/51/908701051.db2.gz UJAPPSXZPMZHCB-JTQLQIEISA-N -1 3 380.275 3.861 20 0 GHADHM CCOC(=O)c1csc(C2CCN(C(=O)c3ccc(CC)cc3[O-])CC2)n1 ZINC000192262119 908746654 /nfs/dbraw/zinc/74/66/54/908746654.db2.gz AYSLHPJLMJIJLI-UHFFFAOYSA-N -1 3 388.489 3.608 20 0 GHADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192532410 908795370 /nfs/dbraw/zinc/79/53/70/908795370.db2.gz CPGRXVFSBMWQDU-GFCCVEGCSA-N -1 3 382.386 3.531 20 0 GHADHM CC[C@@H](C)NC(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194502851 908948800 /nfs/dbraw/zinc/94/88/00/908948800.db2.gz YGNOJVPLJZCUFI-GHMZBOCLSA-N -1 3 391.518 3.954 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000266406699 909136337 /nfs/dbraw/zinc/13/63/37/909136337.db2.gz IHRDHEPXGAQAMR-SFHVURJKSA-N -1 3 383.514 3.501 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000636114409 909434894 /nfs/dbraw/zinc/43/48/94/909434894.db2.gz IJYZBNWLZFVZSC-OLZOCXBDSA-N -1 3 380.275 3.952 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CSc2cccc(C(F)(F)F)c2)n1 ZINC000636114727 909435475 /nfs/dbraw/zinc/43/54/75/909435475.db2.gz PGUFRLGLZOEBFJ-UHFFFAOYSA-N -1 3 385.411 3.653 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCCCCc1nc(-c2ccccn2)cs1 ZINC000636155217 909459139 /nfs/dbraw/zinc/45/91/39/909459139.db2.gz PXFBCNXWSNTGGW-UHFFFAOYSA-N -1 3 385.464 3.731 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)c(Cl)c1 ZINC000636320086 909539879 /nfs/dbraw/zinc/53/98/79/909539879.db2.gz DJEUOPCOKDJFDO-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM Cc1ccc(Br)c(C)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321776 909543996 /nfs/dbraw/zinc/54/39/96/909543996.db2.gz WRKKSHVCMHKTNT-UHFFFAOYSA-N -1 3 390.281 3.759 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1OC ZINC000267552783 909548602 /nfs/dbraw/zinc/54/86/02/909548602.db2.gz GZZKVFZROWHAGZ-KEYYUXOJSA-N -1 3 395.525 3.642 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000267648841 909574945 /nfs/dbraw/zinc/57/49/45/909574945.db2.gz UAXXCLIIWUAQDJ-MRVPVSSYSA-N -1 3 381.306 3.636 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])N(C)C(=O)OC(C)(C)C ZINC001179596348 909601897 /nfs/dbraw/zinc/60/18/97/909601897.db2.gz VAMRVQDGUCZFPG-LBPRGKRZSA-N -1 3 394.468 3.541 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1csc(C(F)(F)F)c1 ZINC000637376262 909798066 /nfs/dbraw/zinc/79/80/66/909798066.db2.gz KYCALYCQPJDJMW-UHFFFAOYSA-N -1 3 377.697 3.853 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948997 909824018 /nfs/dbraw/zinc/82/40/18/909824018.db2.gz OVPAUNORPGOGDH-ZDUSSCGKSA-N -1 3 399.834 3.826 20 0 GHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179948997 909824031 /nfs/dbraw/zinc/82/40/31/909824031.db2.gz OVPAUNORPGOGDH-ZDUSSCGKSA-N -1 3 399.834 3.826 20 0 GHADHM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000795319128 909839819 /nfs/dbraw/zinc/83/98/19/909839819.db2.gz KPSCBPWQBJDWHO-UHFFFAOYSA-N -1 3 397.522 3.688 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1OC1CC1 ZINC001179954099 909864365 /nfs/dbraw/zinc/86/43/65/909864365.db2.gz DUNAHOZVNBZNLG-UHFFFAOYSA-N -1 3 377.400 3.560 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1OC1CC1 ZINC001179954099 909864381 /nfs/dbraw/zinc/86/43/81/909864381.db2.gz DUNAHOZVNBZNLG-UHFFFAOYSA-N -1 3 377.400 3.560 20 0 GHADHM CCC[C@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)OCC ZINC000801849352 921546929 /nfs/dbraw/zinc/54/69/29/921546929.db2.gz ISPCZLFEVYFFDL-LBPRGKRZSA-N -1 3 395.253 3.728 20 0 GHADHM COc1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])cc1OCc1ccccc1 ZINC000901781129 921558222 /nfs/dbraw/zinc/55/82/22/921558222.db2.gz YATSEDJZWITUGX-OAHLLOKOSA-N -1 3 383.366 3.769 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccs2)Cc2ccncc2)c1 ZINC001180681310 910303142 /nfs/dbraw/zinc/30/31/42/910303142.db2.gz HRKKJZBVGHKAEK-UHFFFAOYSA-N -1 3 381.457 3.650 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)CCc1ccc(Oc2ccccc2)cc1 ZINC001180929448 910432470 /nfs/dbraw/zinc/43/24/70/910432470.db2.gz GIYDWRPEDNQPII-UHFFFAOYSA-N -1 3 379.416 3.950 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)CCc1ccc(Oc2ccccc2)cc1 ZINC001180929448 910432489 /nfs/dbraw/zinc/43/24/89/910432489.db2.gz GIYDWRPEDNQPII-UHFFFAOYSA-N -1 3 379.416 3.950 20 0 GHADHM COc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1[O-] ZINC000270605855 910624180 /nfs/dbraw/zinc/62/41/80/910624180.db2.gz BNKFOMZZTATKAA-SNVBAGLBSA-N -1 3 391.374 3.645 20 0 GHADHM CN(CCc1ccc(Cl)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292226 910953731 /nfs/dbraw/zinc/95/37/31/910953731.db2.gz INHQAPNZRJFLIU-UHFFFAOYSA-N -1 3 395.212 3.881 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCCc2sccc2C1 ZINC000640293260 910955148 /nfs/dbraw/zinc/95/51/48/910955148.db2.gz TWUUIUPUCFGMBG-UHFFFAOYSA-N -1 3 378.807 3.563 20 0 GHADHM CC[C@@H](CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)CC(F)(F)F ZINC000640299907 910958218 /nfs/dbraw/zinc/95/82/18/910958218.db2.gz XBEBJWLZUATOFI-SSDOTTSWSA-N -1 3 380.720 3.621 20 0 GHADHM COC(=O)c1sc2[n-]c(CN[C@H](C)c3ccc(F)c(C)c3)nc(=O)c2c1C ZINC000271675584 911010621 /nfs/dbraw/zinc/01/06/21/911010621.db2.gz AITDCOURXILHIW-LLVKDONJSA-N -1 3 389.452 3.790 20 0 GHADHM Cc1ccccc1-n1cc(CN[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901847048 921635605 /nfs/dbraw/zinc/63/56/05/921635605.db2.gz KJXXPQNQJYPKEU-WIYYLYMNSA-N -1 3 390.487 3.629 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(Br)c1Cl ZINC000801943822 921657314 /nfs/dbraw/zinc/65/73/14/921657314.db2.gz IVQVCWXWAANJNK-UHFFFAOYSA-N -1 3 398.570 3.561 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c(Br)c1 ZINC000795636340 911530921 /nfs/dbraw/zinc/53/09/21/911530921.db2.gz PMNNEOYUVYNGDX-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000901871974 921668917 /nfs/dbraw/zinc/66/89/17/921668917.db2.gz VALRSAFDTKBKJA-UHFFFAOYSA-N -1 3 379.863 3.952 20 0 GHADHM O=C([N-]c1nn2cnnc2s1)c1oc2ccccc2c1COc1ccccc1 ZINC000641924860 911602039 /nfs/dbraw/zinc/60/20/39/911602039.db2.gz LZIYLNMSXXFDES-UHFFFAOYSA-N -1 3 391.412 3.763 20 0 GHADHM Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN[C@@H](C)C(=O)[O-] ZINC000283763331 911638896 /nfs/dbraw/zinc/63/88/96/911638896.db2.gz AXIAEUVBOBVSBW-VIFPVBQESA-N -1 3 376.671 3.763 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000641980119 911642838 /nfs/dbraw/zinc/64/28/38/911642838.db2.gz HODLHVQIIASJAN-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000641980119 911642849 /nfs/dbraw/zinc/64/28/49/911642849.db2.gz HODLHVQIIASJAN-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCCCO4)n3)n[n-]2)c1 ZINC000284013229 911720595 /nfs/dbraw/zinc/72/05/95/911720595.db2.gz QTODWDGWDLMIIO-LLVKDONJSA-N -1 3 376.214 3.526 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)CCC(F)(F)F)oc1-c1ccc(Cl)cc1 ZINC000284194338 911785053 /nfs/dbraw/zinc/78/50/53/911785053.db2.gz HHUZMQHOZOXAHI-UHFFFAOYSA-N -1 3 382.791 3.675 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)c(=O)c2c1 ZINC001182842044 912078892 /nfs/dbraw/zinc/07/88/92/912078892.db2.gz QAENKBYEVJXOJP-UHFFFAOYSA-N -1 3 392.455 3.973 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cc(Br)ccc3Cl)n[n-]2)o1 ZINC001182931480 912161706 /nfs/dbraw/zinc/16/17/06/912161706.db2.gz PDPINJPNATYJKQ-UHFFFAOYSA-N -1 3 395.644 3.970 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC(c2csc3ccccc32)CC1 ZINC001182972544 912194535 /nfs/dbraw/zinc/19/45/35/912194535.db2.gz VKEGAUVPBXAAMP-UHFFFAOYSA-N -1 3 394.496 3.743 20 0 GHADHM O=C(NCc1c(Cl)ccc(Cl)c1Cl)c1ccccc1-c1nnn[n-]1 ZINC001187008812 914938120 /nfs/dbraw/zinc/93/81/20/914938120.db2.gz SSVZJZVMNRDPNS-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM O=C(NCc1c(Cl)ccc(Cl)c1Cl)c1ccccc1-c1nn[n-]n1 ZINC001187008812 914938132 /nfs/dbraw/zinc/93/81/32/914938132.db2.gz SSVZJZVMNRDPNS-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c1 ZINC001187048988 914983301 /nfs/dbraw/zinc/98/33/01/914983301.db2.gz VXJDHOMJWKMKNL-QGZVFWFLSA-N -1 3 391.464 3.740 20 0 GHADHM Cc1ccc(Cl)c(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1F ZINC001187149106 915061337 /nfs/dbraw/zinc/06/13/37/915061337.db2.gz ROZLPQDYNVZLLF-UHFFFAOYSA-N -1 3 394.280 3.629 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Nc2c([O-])cccc2Br)cc1 ZINC001187278301 915144796 /nfs/dbraw/zinc/14/47/96/915144796.db2.gz XGJBLSBIUGZUBO-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC001187422055 915236659 /nfs/dbraw/zinc/23/66/59/915236659.db2.gz FPPTYLIEHXNEAW-UHFFFAOYSA-N -1 3 399.472 3.625 20 0 GHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)C12CCCC2 ZINC001187612595 915381655 /nfs/dbraw/zinc/38/16/55/915381655.db2.gz VLEDPFHQLIJMFB-SJORKVTESA-N -1 3 381.469 3.896 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000647798218 915389963 /nfs/dbraw/zinc/38/99/63/915389963.db2.gz DKSVJSDXONONQM-UHFFFAOYSA-N -1 3 389.184 3.904 20 0 GHADHM Cn1cc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)c(-c2cc3ccccc3o2)n1 ZINC000901965628 921775806 /nfs/dbraw/zinc/77/58/06/921775806.db2.gz NKBOUBYEZXZYGF-KBPBESRZSA-N -1 3 393.365 3.528 20 0 GHADHM CCOC(=O)c1c([N-]c2cnoc2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001203233285 915648558 /nfs/dbraw/zinc/64/85/58/915648558.db2.gz XKXXOFHQYHVGSF-UHFFFAOYSA-N -1 3 393.465 3.950 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(Cl)nc1Cl ZINC001187979889 915660276 /nfs/dbraw/zinc/66/02/76/915660276.db2.gz BXWAVUDMJLRWBF-QWRGUYRKSA-N -1 3 377.680 3.876 20 0 GHADHM O=S(=O)([N-]CC1(Cc2ccc(F)cc2)CC1)c1ccc(Cl)nc1Cl ZINC001187985914 915666916 /nfs/dbraw/zinc/66/69/16/915666916.db2.gz GGOXPENWLROQOA-UHFFFAOYSA-N -1 3 389.279 3.829 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)OCc2ccccc2)sc1Cl ZINC001188244819 915821448 /nfs/dbraw/zinc/82/14/48/915821448.db2.gz BSQXQJPOFBKLQW-GFCCVEGCSA-N -1 3 387.910 3.510 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1sc(Br)nc1Br ZINC001188378899 915913112 /nfs/dbraw/zinc/91/31/12/915913112.db2.gz FVPRMAWYPVBVSA-UHFFFAOYSA-N -1 3 396.035 3.765 20 0 GHADHM CC(C)CN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686119 915982938 /nfs/dbraw/zinc/98/29/38/915982938.db2.gz ADSJZQOEMLFBPB-UHFFFAOYSA-N -1 3 378.900 3.546 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC001188499380 916016647 /nfs/dbraw/zinc/01/66/47/916016647.db2.gz XVIFZCMAMZZLDU-WDEREUQCSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cc(Br)cc(Br)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188607452 916053703 /nfs/dbraw/zinc/05/37/03/916053703.db2.gz BJBNGVMGKZQWPX-UHFFFAOYSA-N -1 3 395.072 3.914 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001188596854 916072232 /nfs/dbraw/zinc/07/22/32/916072232.db2.gz VBKSGZLJRYTRLW-JKSUJKDBSA-N -1 3 380.535 3.682 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(Oc2cccnc2)cc1 ZINC001188845718 916253695 /nfs/dbraw/zinc/25/36/95/916253695.db2.gz CEGAUOSJURWOJF-UHFFFAOYSA-N -1 3 398.440 3.836 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4n3[C@H](C)CCC4)c2)n1 ZINC000649624567 916270335 /nfs/dbraw/zinc/27/03/35/916270335.db2.gz MIDWZVHQAKMHLI-CYBMUJFWSA-N -1 3 377.448 3.758 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CCC2)[C@@H]1C(C)C ZINC000293655977 916314546 /nfs/dbraw/zinc/31/45/46/916314546.db2.gz FKFORWDCLDLGSA-IBGZPJMESA-N -1 3 380.492 3.522 20 0 GHADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1(C)C ZINC001188970635 916317857 /nfs/dbraw/zinc/31/78/57/916317857.db2.gz ZEEPDRMCJBTFBM-KGLIPLIRSA-N -1 3 383.407 3.715 20 0 GHADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1OCCc2sccc21 ZINC000293714473 916342836 /nfs/dbraw/zinc/34/28/36/916342836.db2.gz NVQFYBXJSROKCT-MGPLVRAMSA-N -1 3 396.306 3.783 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Cl)c1cc(F)c(Br)c(F)c1 ZINC001189036931 916358649 /nfs/dbraw/zinc/35/86/49/916358649.db2.gz PCVPIFPNAWASJK-UHFFFAOYSA-N -1 3 398.612 3.887 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c1 ZINC001189043511 916365413 /nfs/dbraw/zinc/36/54/13/916365413.db2.gz YFCGUEQKPFIHPG-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000293790625 916384575 /nfs/dbraw/zinc/38/45/75/916384575.db2.gz AJXAKFCYBSALGP-UHFFFAOYSA-N -1 3 380.419 3.601 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)c1 ZINC001189199786 916457215 /nfs/dbraw/zinc/45/72/15/916457215.db2.gz BTKYSXVSXPHFFL-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(Br)c(F)cc1F ZINC001189417573 916622481 /nfs/dbraw/zinc/62/24/81/916622481.db2.gz VFVWVEFAHVCQLM-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc([O-])ccc3Cl)nc21 ZINC000294166016 916623865 /nfs/dbraw/zinc/62/38/65/916623865.db2.gz MZOKKUPNPWXQIP-JTQLQIEISA-N -1 3 380.853 3.737 20 0 GHADHM O=C([N-][C@H](c1nccs1)C(F)(F)F)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000650057601 916685664 /nfs/dbraw/zinc/68/56/64/916685664.db2.gz WIMHKJBUUGVAGR-IWSPIJDZSA-N -1 3 376.322 3.610 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2Cl)CCOCC1 ZINC000650199524 916792041 /nfs/dbraw/zinc/79/20/41/916792041.db2.gz RPXMNCBLMRKPRU-UHFFFAOYSA-N -1 3 395.908 3.944 20 0 GHADHM COC(Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])cc1)OC ZINC001189766794 916904129 /nfs/dbraw/zinc/90/41/29/916904129.db2.gz RYPRERGPGBZUHG-UHFFFAOYSA-N -1 3 385.338 3.705 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(F)c(F)c(Br)c1 ZINC001189825097 916948693 /nfs/dbraw/zinc/94/86/93/916948693.db2.gz VTYOSUMPUBONFV-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H](c2ccccc2)C1)c1cccc(Br)n1 ZINC001190025361 917062551 /nfs/dbraw/zinc/06/25/51/917062551.db2.gz RKCMYIMDPBDYDY-LSDHHAIUSA-N -1 3 395.322 3.849 20 0 GHADHM COc1cc([O-])c(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)c(OC)c1 ZINC001190144432 917126139 /nfs/dbraw/zinc/12/61/39/917126139.db2.gz ONFDMUUHOPKFMR-CQSZACIVSA-N -1 3 381.350 3.846 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000295519670 917338583 /nfs/dbraw/zinc/33/85/83/917338583.db2.gz ZWEYHMXRKRYQCW-UHFFFAOYSA-N -1 3 380.872 3.661 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC(=O)OC(C)(C)C ZINC001190518177 917377904 /nfs/dbraw/zinc/37/79/04/917377904.db2.gz JVMMBBVAAODNAL-JTQLQIEISA-N -1 3 397.324 3.575 20 0 GHADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000651098019 917428730 /nfs/dbraw/zinc/42/87/30/917428730.db2.gz FBKINJCXYXKIRE-UHFFFAOYSA-N -1 3 378.270 3.559 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2)CCCC1 ZINC001190596200 917439255 /nfs/dbraw/zinc/43/92/55/917439255.db2.gz VNECJDINPCRDHA-UHFFFAOYSA-N -1 3 393.892 3.874 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000362848246 917460456 /nfs/dbraw/zinc/46/04/56/917460456.db2.gz RZMDGTNBLQSYCQ-JTQLQIEISA-N -1 3 390.802 3.795 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c3ccccc32)s1 ZINC001190919991 917663308 /nfs/dbraw/zinc/66/33/08/917663308.db2.gz KPTZFCSATRROKF-NSHDSACASA-N -1 3 393.461 3.867 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CCOCC2CCCC2)c(-c2ccccc2)s1 ZINC001191053130 917727810 /nfs/dbraw/zinc/72/78/10/917727810.db2.gz DUCUFMKCJCLNCW-UHFFFAOYSA-N -1 3 380.535 3.604 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1(CO)CCCC1 ZINC001191092750 917779196 /nfs/dbraw/zinc/77/91/96/917779196.db2.gz IYAVXAMOPLRUBN-OAHLLOKOSA-N -1 3 380.337 3.849 20 0 GHADHM COCCOCc1ccc(C(=O)Nc2c([O-])ccc(Br)c2C)cc1 ZINC000296084553 917834756 /nfs/dbraw/zinc/83/47/56/917834756.db2.gz OTEAEWVGLDTXFS-UHFFFAOYSA-N -1 3 394.265 3.878 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC001191304558 917907014 /nfs/dbraw/zinc/90/70/14/917907014.db2.gz LOZBEYGFJJZCQJ-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC2(C)CCC(C)(C)CC2)c1 ZINC001191393928 917952820 /nfs/dbraw/zinc/95/28/20/917952820.db2.gz BPSQRWBWNSGFGG-UHFFFAOYSA-N -1 3 385.501 3.806 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc3oc(C)nc3cc2Cl)cc1 ZINC001191450740 917982285 /nfs/dbraw/zinc/98/22/85/917982285.db2.gz HOMGXEMHLXZHPV-UHFFFAOYSA-N -1 3 394.836 3.767 20 0 GHADHM Cc1nn(CC2CC2)c(C)c1CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000653018324 918087943 /nfs/dbraw/zinc/08/79/43/918087943.db2.gz ZAQFBHWABCTIMQ-UHFFFAOYSA-N -1 3 383.883 3.557 20 0 GHADHM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000653025108 918092145 /nfs/dbraw/zinc/09/21/45/918092145.db2.gz WIXSDYBNFCMDFO-UHFFFAOYSA-N -1 3 390.447 3.622 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]Cc2cncnc2C(C)(C)F)c1Cl ZINC001191775669 918180177 /nfs/dbraw/zinc/18/01/77/918180177.db2.gz TXUVPRVDTUDQSE-UHFFFAOYSA-N -1 3 392.283 3.775 20 0 GHADHM CC(C)c1cc(Br)c([N-]C(=O)c2ncon2)c(Br)c1 ZINC001192024478 918364288 /nfs/dbraw/zinc/36/42/88/918364288.db2.gz NNYPTFOGNCCCGP-UHFFFAOYSA-N -1 3 389.047 3.970 20 0 GHADHM CCc1ccc([C@@H](O)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000796587844 918455306 /nfs/dbraw/zinc/45/53/06/918455306.db2.gz NULJJTAVZOROEP-FQEVSTJZSA-N -1 3 392.459 3.575 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1cc(F)ccc1F ZINC000380442120 919302907 /nfs/dbraw/zinc/30/29/07/919302907.db2.gz DGYPWQMGVJVPSQ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCOc1cc(CNc2cc(C(=O)N(C)C)ccc2OC)cc(Cl)c1[O-] ZINC000297568855 919448804 /nfs/dbraw/zinc/44/88/04/919448804.db2.gz CQYJPCCMRWPODE-UHFFFAOYSA-N -1 3 378.856 3.767 20 0 GHADHM O=C([N-]NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc2ccccc2n1 ZINC000021008061 919679923 /nfs/dbraw/zinc/67/99/23/919679923.db2.gz OIQLXGYGTZSICS-UHFFFAOYSA-N -1 3 395.418 3.934 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccccc1Cl ZINC000800262661 919803226 /nfs/dbraw/zinc/80/32/26/919803226.db2.gz NNBSWSBHBJVLDU-INIZCTEOSA-N -1 3 390.802 3.571 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccccc1Cl ZINC000800262661 919803241 /nfs/dbraw/zinc/80/32/41/919803241.db2.gz NNBSWSBHBJVLDU-INIZCTEOSA-N -1 3 390.802 3.571 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccccc1Cl ZINC000800262661 919803253 /nfs/dbraw/zinc/80/32/53/919803253.db2.gz NNBSWSBHBJVLDU-INIZCTEOSA-N -1 3 390.802 3.571 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800264167 919804748 /nfs/dbraw/zinc/80/47/48/919804748.db2.gz XKSRCCGYMKAEBQ-NEPJUHHUSA-N -1 3 384.411 3.795 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800264167 919804770 /nfs/dbraw/zinc/80/47/70/919804770.db2.gz XKSRCCGYMKAEBQ-NEPJUHHUSA-N -1 3 384.411 3.795 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800264167 919804783 /nfs/dbraw/zinc/80/47/83/919804783.db2.gz XKSRCCGYMKAEBQ-NEPJUHHUSA-N -1 3 384.411 3.795 20 0 GHADHM COc1ccc(CNCCCCC2(C(=O)[O-])CCC2)c(Br)c1O ZINC000900081102 919818748 /nfs/dbraw/zinc/81/87/48/919818748.db2.gz WIHCQINSSFCACA-UHFFFAOYSA-N -1 3 386.286 3.678 20 0 GHADHM CCOc1cc(CNc2cccc(OCC(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000297933770 919992831 /nfs/dbraw/zinc/99/28/31/919992831.db2.gz UTJADYJLRHYIHI-UHFFFAOYSA-N -1 3 378.856 3.523 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000800507333 920213661 /nfs/dbraw/zinc/21/36/61/920213661.db2.gz OVENLBBPNZIAHC-LLVKDONJSA-N -1 3 399.426 3.935 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Br)n1 ZINC000800928028 920613028 /nfs/dbraw/zinc/61/30/28/920613028.db2.gz OWSNHTCOGHKVOL-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c(Cl)cc1Cl ZINC000800951505 920636763 /nfs/dbraw/zinc/63/67/63/920636763.db2.gz IWJJANNBTPAUOM-QMMMGPOBSA-N -1 3 394.301 3.881 20 0 GHADHM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000365543573 920931494 /nfs/dbraw/zinc/93/14/94/920931494.db2.gz AHTRJUOCBYGIHY-UHFFFAOYSA-N -1 3 388.467 3.828 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000365684332 921079783 /nfs/dbraw/zinc/07/97/83/921079783.db2.gz HKTIVRYSMBGILE-UHFFFAOYSA-N -1 3 377.231 3.518 20 0 GHADHM CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000901428784 921097917 /nfs/dbraw/zinc/09/79/17/921097917.db2.gz OCBVNQNOCUPJAK-INIZCTEOSA-N -1 3 384.476 3.773 20 0 GHADHM CCOc1c(Cl)cc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000902140360 921910182 /nfs/dbraw/zinc/91/01/82/921910182.db2.gz SUNTWHQPSJQPRX-CYBMUJFWSA-N -1 3 393.867 3.889 20 0 GHADHM CC(=O)N1CC[C@](C)(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000367524917 922173597 /nfs/dbraw/zinc/17/35/97/922173597.db2.gz PYNMBMFTVQYHDR-NRFANRHFSA-N -1 3 395.484 3.866 20 0 GHADHM CCc1oc(CN[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1C(=O)[O-] ZINC000902504794 922246154 /nfs/dbraw/zinc/24/61/54/922246154.db2.gz QPTPZGREWGMCRP-HYVNUMGLSA-N -1 3 376.250 3.731 20 0 GHADHM O=C([O-])c1ccc(COc2ccccc2CN2CCC[C@H]3COCC[C@H]32)cc1 ZINC000902528724 922258253 /nfs/dbraw/zinc/25/82/53/922258253.db2.gz SFSCFDBKXWOGJE-LEWJYISDSA-N -1 3 381.472 3.965 20 0 GHADHM C[C@H](O)CC(C)(C)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902876816 922574699 /nfs/dbraw/zinc/57/46/99/922574699.db2.gz UMEFRQCFAZQXGN-QMMMGPOBSA-N -1 3 388.764 3.759 20 0 GHADHM C[C@H]1C[C@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000902918799 922603947 /nfs/dbraw/zinc/60/39/47/922603947.db2.gz VWHCRXUKPUFFOD-DTWKUNHWSA-N -1 3 386.748 3.777 20 0 GHADHM C[C@@H]1C[C@@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)[C@@H](C)O1 ZINC000902945057 922626866 /nfs/dbraw/zinc/62/68/66/922626866.db2.gz CCNGTFZKWRXCKD-HLTSFMKQSA-N -1 3 386.748 3.775 20 0 GHADHM O=C(O[C@H]1CCc2cc(Cl)ccc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803280494 922851063 /nfs/dbraw/zinc/85/10/63/922851063.db2.gz YZLQWEVLJUVXCK-MJGOQNOKSA-N -1 3 385.847 3.881 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618695 923131164 /nfs/dbraw/zinc/13/11/64/923131164.db2.gz KOCFNUQIZDYQPA-NRFANRHFSA-N -1 3 397.515 3.789 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Br)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903626378 923135232 /nfs/dbraw/zinc/13/52/32/923135232.db2.gz AGCFWVORPJWDIL-AAEUAGOBSA-N -1 3 396.178 3.941 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC000903632135 923142108 /nfs/dbraw/zinc/14/21/08/923142108.db2.gz UAMAGCCQGAKFJY-CYBMUJFWSA-N -1 3 380.897 3.828 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cscc1Br ZINC000803772644 923232760 /nfs/dbraw/zinc/23/27/60/923232760.db2.gz ROVGFOYKBRZWLZ-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749156993 924054390 /nfs/dbraw/zinc/05/43/90/924054390.db2.gz LKUDUUCKGJVSBV-UHFFFAOYSA-N -1 3 390.896 3.920 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)c1c(C)noc1C ZINC000677424008 924356591 /nfs/dbraw/zinc/35/65/91/924356591.db2.gz LDCOYOQVJJVLMA-INIZCTEOSA-N -1 3 375.450 3.517 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c2cccnc12 ZINC000682706228 926213329 /nfs/dbraw/zinc/21/33/29/926213329.db2.gz JXWLEVWXQQTBIZ-UHFFFAOYSA-N -1 3 394.456 3.538 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@](OC)(C(F)(F)F)C2)c([O-])c1 ZINC000682812246 926258469 /nfs/dbraw/zinc/25/84/69/926258469.db2.gz PHTQXFHENQDAGJ-QGZVFWFLSA-N -1 3 375.387 3.755 20 0 GHADHM COc1cc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc(OC)c1[O-] ZINC000373628847 926298013 /nfs/dbraw/zinc/29/80/13/926298013.db2.gz DLIDYAPGLGMCGT-UHFFFAOYSA-N -1 3 395.459 3.545 20 0 GHADHM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276164899 926401959 /nfs/dbraw/zinc/40/19/59/926401959.db2.gz KUPSUZPWTKFOQT-BUXKBTBVSA-N -1 3 399.318 3.634 20 0 GHADHM O=S(=O)([N-]CCCSc1ccccc1)c1ccc(Cl)nc1Cl ZINC000725817039 926456615 /nfs/dbraw/zinc/45/66/15/926456615.db2.gz GVZHRUOCVFEHJW-UHFFFAOYSA-N -1 3 377.318 3.849 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)COCc1ccccc1 ZINC000725825625 926459464 /nfs/dbraw/zinc/45/94/64/926459464.db2.gz FPAJQQHBOHMHBN-LBPRGKRZSA-N -1 3 389.304 3.520 20 0 GHADHM O=C(NCc1ccnc(-n2ccnc2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725888864 926481346 /nfs/dbraw/zinc/48/13/46/926481346.db2.gz OVXUAGQONABUHW-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM Cn1cccc1[C@H]1COCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411551172 926510329 /nfs/dbraw/zinc/51/03/29/926510329.db2.gz LPOGGZGFAJHWBV-OAHLLOKOSA-N -1 3 396.472 3.569 20 0 GHADHM O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276172103 926570309 /nfs/dbraw/zinc/57/03/09/926570309.db2.gz BDZXARSYLKJUAQ-QGZVFWFLSA-N -1 3 393.261 3.921 20 0 GHADHM Cc1cccc(N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C(C)C)c1 ZINC000726510670 926717078 /nfs/dbraw/zinc/71/70/78/926717078.db2.gz NJAZGYNXSAYJKI-UHFFFAOYSA-N -1 3 392.496 3.876 20 0 GHADHM Cc1cc(S(N)(=O)=O)sc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC000726535300 926728804 /nfs/dbraw/zinc/72/88/04/926728804.db2.gz UEROBVJPNVXJJG-UHFFFAOYSA-N -1 3 396.437 3.568 20 0 GHADHM Cc1csc([C@H]2CCCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)n1 ZINC000412151032 927151756 /nfs/dbraw/zinc/15/17/56/927151756.db2.gz SPKKZOYUCRNEPU-LBPRGKRZSA-N -1 3 387.892 3.966 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412317929 927328529 /nfs/dbraw/zinc/32/85/29/927328529.db2.gz PJNFJHSRHXNMAE-NMVRNDPTSA-N -1 3 388.895 3.583 20 0 GHADHM C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000750215173 927493847 /nfs/dbraw/zinc/49/38/47/927493847.db2.gz NXPVKTIQPIGLHS-VIFPVBQESA-N -1 3 394.301 3.638 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000374789941 927526380 /nfs/dbraw/zinc/52/63/80/927526380.db2.gz ZKHCYYPOWGRTSQ-INIZCTEOSA-N -1 3 396.491 3.572 20 0 GHADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)no1 ZINC000374801695 927537900 /nfs/dbraw/zinc/53/79/00/927537900.db2.gz SRMWHSCIEQLDFE-QGZVFWFLSA-N -1 3 380.448 3.792 20 0 GHADHM O=C(OCC1CC=CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000750357719 927576361 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ZINC001116309112 933472010 /nfs/dbraw/zinc/47/20/10/933472010.db2.gz PUCUFLDTYYQMFW-UHFFFAOYSA-N -1 3 396.459 3.678 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000561085766 933847500 /nfs/dbraw/zinc/84/75/00/933847500.db2.gz UEDXFZXLDWXAKC-UHFFFAOYSA-N -1 3 383.555 3.800 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000561085766 933847505 /nfs/dbraw/zinc/84/75/05/933847505.db2.gz UEDXFZXLDWXAKC-UHFFFAOYSA-N -1 3 383.555 3.800 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nnc(-c3ccncc3)o2)c1 ZINC001117161219 933865441 /nfs/dbraw/zinc/86/54/41/933865441.db2.gz UJWCTEBIVOTCHY-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001117803000 934033938 /nfs/dbraw/zinc/03/39/38/934033938.db2.gz CIBAIGNJESPXRT-ZETCQYMHSA-N -1 3 378.750 3.610 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1[O-] ZINC001117996538 934074572 /nfs/dbraw/zinc/07/45/72/934074572.db2.gz JWQPDFYTTUPIJL-UHFFFAOYSA-N -1 3 398.459 3.550 20 0 GHADHM Cc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 ZINC000561385099 934103149 /nfs/dbraw/zinc/10/31/49/934103149.db2.gz KBBXWRCEJYHJBP-UHFFFAOYSA-N -1 3 399.447 3.607 20 0 GHADHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc([O-])cc(Br)c2)n1 ZINC001118893105 934277004 /nfs/dbraw/zinc/27/70/04/934277004.db2.gz JCQVPVSLKDLOGB-OAHLLOKOSA-N -1 3 390.281 3.575 20 0 GHADHM CC(C)c1nc(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cs1 ZINC001118919445 934285716 /nfs/dbraw/zinc/28/57/16/934285716.db2.gz XCLPVBNFSORGCF-AWEZNQCLSA-N -1 3 388.411 3.951 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CC2c3ccccc3Oc3ccccc32)[n-]1 ZINC001118951895 934290953 /nfs/dbraw/zinc/29/09/53/934290953.db2.gz ODMLQLIHYJLGHR-UHFFFAOYSA-N -1 3 377.400 3.853 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CC2c3ccccc3Oc3ccccc32)c[n-]1 ZINC001118951895 934290958 /nfs/dbraw/zinc/29/09/58/934290958.db2.gz ODMLQLIHYJLGHR-UHFFFAOYSA-N -1 3 377.400 3.853 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCN([C@H]4C[C@@H]4C)C[C@H](C)C3)n2)cc1 ZINC000561746728 934416285 /nfs/dbraw/zinc/41/62/85/934416285.db2.gz MRQOHVMKWORNSF-ZWOKBUDYSA-N -1 3 396.535 3.504 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000931616376 934645935 /nfs/dbraw/zinc/64/59/35/934645935.db2.gz BUCJZCOZCGKKHW-UHFFFAOYSA-N -1 3 385.489 3.944 20 0 GHADHM CCOC[C@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC)C1 ZINC001121664559 934731716 /nfs/dbraw/zinc/73/17/16/934731716.db2.gz YLWHTKCBMIGFCJ-HNNXBMFYSA-N -1 3 392.931 3.695 20 0 GHADHM C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000778048372 934789858 /nfs/dbraw/zinc/78/98/58/934789858.db2.gz KDCMYDUZORQCCZ-JTQLQIEISA-N -1 3 397.324 3.575 20 0 GHADHM C[C@H](CC1CCCCC1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372367 935172855 /nfs/dbraw/zinc/17/28/55/935172855.db2.gz MJSVAQDZTRWFAG-JPYJTQIMSA-N -1 3 386.536 3.829 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C2(C(=O)[N-]OCCCC(F)(F)F)CC2)CC1 ZINC001123846420 935305962 /nfs/dbraw/zinc/30/59/62/935305962.db2.gz DKEWKVSKKSWQBA-UHFFFAOYSA-N -1 3 394.434 3.804 20 0 GHADHM CCCc1nnc([N-]C(=O)c2nc(CNC(=O)OC(C)(C)C)sc2C)s1 ZINC001124200769 935356621 /nfs/dbraw/zinc/35/66/21/935356621.db2.gz GANKNMQPEGBLOC-UHFFFAOYSA-N -1 3 397.526 3.533 20 0 GHADHM CCSCc1ccnc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001137556284 935583854 /nfs/dbraw/zinc/58/38/54/935583854.db2.gz RDHDPHPLHAXBRM-UHFFFAOYSA-N -1 3 375.400 3.707 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Nc4nccs4)c3)nc21 ZINC001137749721 935769112 /nfs/dbraw/zinc/76/91/12/935769112.db2.gz OHDCJWBDXQHAEW-UHFFFAOYSA-N -1 3 393.428 3.802 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2cccc([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001137945341 935885128 /nfs/dbraw/zinc/88/51/28/935885128.db2.gz PJXLLINSADUNND-KPZWWZAWSA-N -1 3 380.822 3.747 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908885207 939345352 /nfs/dbraw/zinc/34/53/52/939345352.db2.gz TUKZRCKQTSPNHV-NSISKUIASA-N -1 3 387.524 3.545 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000325362717 971208198 /nfs/dbraw/zinc/20/81/98/971208198.db2.gz NIYMXOZHRHYTRY-ZDUSSCGKSA-N -1 3 397.313 3.519 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)cc1CNc1ccc(-c2ncco2)cc1 ZINC001573278994 946628112 /nfs/dbraw/zinc/62/81/12/946628112.db2.gz CLLDVELYHZTHAB-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)cc1CNc1ccc(-c2ncco2)cc1 ZINC001573278994 946628121 /nfs/dbraw/zinc/62/81/21/946628121.db2.gz CLLDVELYHZTHAB-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC001573553208 946886242 /nfs/dbraw/zinc/88/62/42/946886242.db2.gz XJYIHTRLUOBLPJ-UHFFFAOYSA-N -1 3 393.422 3.560 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC001573553208 946886253 /nfs/dbraw/zinc/88/62/53/946886253.db2.gz XJYIHTRLUOBLPJ-UHFFFAOYSA-N -1 3 393.422 3.560 20 0 GHADHM C[C@@H](C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1)c1c(F)cccc1F ZINC001573607347 947547375 /nfs/dbraw/zinc/54/73/75/947547375.db2.gz KQJVCBGIVKMCHP-GFCCVEGCSA-N -1 3 383.402 3.834 20 0 GHADHM C[C@@H](C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1)c1c(F)cccc1F ZINC001573607347 947547386 /nfs/dbraw/zinc/54/73/86/947547386.db2.gz KQJVCBGIVKMCHP-GFCCVEGCSA-N -1 3 383.402 3.834 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1C ZINC001573364019 947715989 /nfs/dbraw/zinc/71/59/89/947715989.db2.gz FGQXTBNEBPSWRQ-HJWRWDBZSA-N -1 3 388.225 3.573 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1C ZINC001573364019 947715996 /nfs/dbraw/zinc/71/59/96/947715996.db2.gz FGQXTBNEBPSWRQ-HJWRWDBZSA-N -1 3 388.225 3.573 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C2CC2)cc1F ZINC001574082237 948850792 /nfs/dbraw/zinc/85/07/92/948850792.db2.gz CLHNOLYPWDAMRK-IBGZPJMESA-N -1 3 395.438 3.925 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C2CC2)cc1F ZINC001574082237 948850808 /nfs/dbraw/zinc/85/08/08/948850808.db2.gz CLHNOLYPWDAMRK-IBGZPJMESA-N -1 3 395.438 3.925 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574082494 948856901 /nfs/dbraw/zinc/85/69/01/948856901.db2.gz FLTYXKXEQVIMCX-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574082494 948856921 /nfs/dbraw/zinc/85/69/21/948856921.db2.gz FLTYXKXEQVIMCX-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)C1CCCC1 ZINC001574082397 948857306 /nfs/dbraw/zinc/85/73/06/948857306.db2.gz CWMOOFFXUPDLEZ-SFHVURJKSA-N -1 3 385.512 3.603 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)C1CCCC1 ZINC001574082397 948857326 /nfs/dbraw/zinc/85/73/26/948857326.db2.gz CWMOOFFXUPDLEZ-SFHVURJKSA-N -1 3 385.512 3.603 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001574087754 948897231 /nfs/dbraw/zinc/89/72/31/948897231.db2.gz AHTNHYGEBVVNBK-KNQAVFIVSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001574087754 948897255 /nfs/dbraw/zinc/89/72/55/948897255.db2.gz AHTNHYGEBVVNBK-KNQAVFIVSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)(C(=O)N[C@@H](C1CCC1)C1CCCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573771719 948947784 /nfs/dbraw/zinc/94/77/84/948947784.db2.gz LVWURKIUCBHEKJ-GOSISDBHSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)(C(=O)N[C@@H](C1CCC1)C1CCCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573771719 948947796 /nfs/dbraw/zinc/94/77/96/948947796.db2.gz LVWURKIUCBHEKJ-GOSISDBHSA-N -1 3 385.487 3.759 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001575501788 949013503 /nfs/dbraw/zinc/01/35/03/949013503.db2.gz FQHHZDLSAFSDOI-GFCCVEGCSA-N -1 3 394.866 3.764 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001575501788 949013517 /nfs/dbraw/zinc/01/35/17/949013517.db2.gz FQHHZDLSAFSDOI-GFCCVEGCSA-N -1 3 394.866 3.764 20 0 GHADHM CC(F)(F)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001575244229 949018485 /nfs/dbraw/zinc/01/84/85/949018485.db2.gz YLDQRVXQCBYSHE-UONOGXRCSA-N -1 3 387.365 3.860 20 0 GHADHM CC(F)(F)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001575244229 949018505 /nfs/dbraw/zinc/01/85/05/949018505.db2.gz YLDQRVXQCBYSHE-UONOGXRCSA-N -1 3 387.365 3.860 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(CCc2ccccc2)CC1 ZINC001575502621 949028404 /nfs/dbraw/zinc/02/84/04/949028404.db2.gz HRYRHJAAFKIOLL-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(CCc2ccccc2)CC1 ZINC001575502621 949028425 /nfs/dbraw/zinc/02/84/25/949028425.db2.gz HRYRHJAAFKIOLL-MRXNPFEDSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(CCc2ccccc2)CC1 ZINC001575502611 949028993 /nfs/dbraw/zinc/02/89/93/949028993.db2.gz HRYRHJAAFKIOLL-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(CCc2ccccc2)CC1 ZINC001575502611 949029012 /nfs/dbraw/zinc/02/90/12/949029012.db2.gz HRYRHJAAFKIOLL-INIZCTEOSA-N -1 3 375.476 3.799 20 0 GHADHM CC(C)(C(=O)NCCc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781618 949112493 /nfs/dbraw/zinc/11/24/93/949112493.db2.gz KWLGSLPHFLXDPL-UHFFFAOYSA-N -1 3 385.471 3.656 20 0 GHADHM CC(C)(C(=O)NCCc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781618 949112505 /nfs/dbraw/zinc/11/25/05/949112505.db2.gz KWLGSLPHFLXDPL-UHFFFAOYSA-N -1 3 385.471 3.656 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1CCC(C(C)C)CC1 ZINC001574094288 949133547 /nfs/dbraw/zinc/13/35/47/949133547.db2.gz YPEPSJCISFURIP-LBXVMSDZSA-N -1 3 399.539 3.849 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1CCC(C(C)C)CC1 ZINC001574094288 949133561 /nfs/dbraw/zinc/13/35/61/949133561.db2.gz YPEPSJCISFURIP-LBXVMSDZSA-N -1 3 399.539 3.849 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC001589606211 949273663 /nfs/dbraw/zinc/27/36/63/949273663.db2.gz DKNSDOPOAUNGEL-LJQANCHMSA-N -1 3 376.478 3.601 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576164835 949561339 /nfs/dbraw/zinc/56/13/39/949561339.db2.gz HRJTWMDKBSQQDK-RISCZKNCSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC001576164835 949561355 /nfs/dbraw/zinc/56/13/55/949561355.db2.gz HRJTWMDKBSQQDK-RISCZKNCSA-N -1 3 379.917 3.649 20 0 GHADHM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3csc(-c4nnn[n-]4)c3)sc2C1 ZINC001573826019 949899702 /nfs/dbraw/zinc/89/97/02/949899702.db2.gz DYMCCLTUIZDUSV-JTQLQIEISA-N -1 3 388.522 3.788 20 0 GHADHM CC(C)(C)CC[C@H](NCc1csc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001573842643 950153743 /nfs/dbraw/zinc/15/37/43/950153743.db2.gz JOTSZAIBOWQWAD-ZDUSSCGKSA-N -1 3 379.530 3.554 20 0 GHADHM CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001574168598 950522603 /nfs/dbraw/zinc/52/26/03/950522603.db2.gz ZZJKUDORTGHXKA-KRWDZBQOSA-N -1 3 392.301 3.670 20 0 GHADHM CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001574168598 950522612 /nfs/dbraw/zinc/52/26/12/950522612.db2.gz ZZJKUDORTGHXKA-KRWDZBQOSA-N -1 3 392.301 3.670 20 0 GHADHM CC(C)(C)c1csc(NC(=O)CCOc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001573884002 950778321 /nfs/dbraw/zinc/77/83/21/950778321.db2.gz BTEWLDMPUYMDSU-UHFFFAOYSA-N -1 3 389.456 3.772 20 0 GHADHM CC(C)(C)c1csc(NC(=O)CCOc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001573884002 950778338 /nfs/dbraw/zinc/77/83/38/950778338.db2.gz BTEWLDMPUYMDSU-UHFFFAOYSA-N -1 3 389.456 3.772 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)c1ccccc1 ZINC001576218427 950791448 /nfs/dbraw/zinc/79/14/48/950791448.db2.gz RKNVMBDBNJXBRH-UONOGXRCSA-N -1 3 376.464 3.519 20 0 GHADHM C[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)c1ccccc1 ZINC001576218427 950791457 /nfs/dbraw/zinc/79/14/57/950791457.db2.gz RKNVMBDBNJXBRH-UONOGXRCSA-N -1 3 376.464 3.519 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3cccc(F)c3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576219835 950812866 /nfs/dbraw/zinc/81/28/66/950812866.db2.gz VGJZFGVXDJJDDH-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3cccc(F)c3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576219835 950812884 /nfs/dbraw/zinc/81/28/84/950812884.db2.gz VGJZFGVXDJJDDH-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H](COCc1ccccc1)COc1nc2c(cc1-c1nnn[n-]1)CCCCC2 ZINC001575177248 952400073 /nfs/dbraw/zinc/40/00/73/952400073.db2.gz KOCBTTQWMBRRKJ-INIZCTEOSA-N -1 3 393.491 3.762 20 0 GHADHM C[C@@H](COCc1ccccc1)COc1nc2c(cc1-c1nn[n-]n1)CCCCC2 ZINC001575177248 952400076 /nfs/dbraw/zinc/40/00/76/952400076.db2.gz KOCBTTQWMBRRKJ-INIZCTEOSA-N -1 3 393.491 3.762 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001575188514 952449130 /nfs/dbraw/zinc/44/91/30/952449130.db2.gz IORJWEDBJFJXGK-GFCCVEGCSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001575188514 952449133 /nfs/dbraw/zinc/44/91/33/952449133.db2.gz IORJWEDBJFJXGK-GFCCVEGCSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@@H](Cc1ccsc1)Nc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001575201665 952506570 /nfs/dbraw/zinc/50/65/70/952506570.db2.gz KAZNNATZPNMBPS-LBPRGKRZSA-N -1 3 379.449 3.554 20 0 GHADHM C[C@@H](Cc1ccsc1)Nc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001575201665 952506577 /nfs/dbraw/zinc/50/65/77/952506577.db2.gz KAZNNATZPNMBPS-LBPRGKRZSA-N -1 3 379.449 3.554 20 0 GHADHM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001603055978 972122876 /nfs/dbraw/zinc/12/28/76/972122876.db2.gz AENRGUBUGBCSPD-LECLMCCNSA-N -1 3 382.460 3.503 20 0 GHADHM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC001594285575 957775210 /nfs/dbraw/zinc/77/52/10/957775210.db2.gz HIAZDQPHQDBZNF-FQEVSTJZSA-N -1 3 384.476 3.513 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001340485856 957923708 /nfs/dbraw/zinc/92/37/08/957923708.db2.gz OKUFMXHNLNSZOT-WOJBJXKFSA-N -1 3 389.540 3.572 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)c2ccc3ccccc3c2)CCCN(Cc2ccccc2)C1 ZINC001345063094 962221861 /nfs/dbraw/zinc/22/18/61/962221861.db2.gz SUKFCGDKSHOAQU-XMMPIXPASA-N -1 3 388.467 3.689 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCCCCC2)N(C)C)cc1 ZINC001604964891 972553206 /nfs/dbraw/zinc/55/32/06/972553206.db2.gz LDCJCZWUMCOHNQ-QGZVFWFLSA-N -1 3 378.538 3.553 20 0 GHADHM O=C([O-])c1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000565310293 974579239 /nfs/dbraw/zinc/57/92/39/974579239.db2.gz UHLHVJZOGCNSLC-HKUYNNGSSA-N -1 3 375.852 3.615 20 0 GHADHM COC(=O)c1c(CN(C)C[C@H](C)C(=O)[O-])nc2ccccc2c1-c1ccccc1 ZINC000565719402 974587665 /nfs/dbraw/zinc/58/76/65/974587665.db2.gz JOIFFNJIXONOSX-HNNXBMFYSA-N -1 3 392.455 3.841 20 0 GHADHM C[C@H](Cc1ccccc1Cl)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001625849944 1014227373 /nfs/dbraw/zinc/22/73/73/1014227373.db2.gz QTXFIFLILUJVLI-SNVBAGLBSA-N -1 3 376.790 3.821 20 0 GHADHM CC(C)Oc1cc(Cl)c(CN[C@](C)(Cn2cccn2)C(=O)[O-])cc1Cl ZINC001591755550 975820320 /nfs/dbraw/zinc/82/03/20/975820320.db2.gz LSLKUJOMBLHNIH-QGZVFWFLSA-N -1 3 386.279 3.610 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(CC(=O)[O-])cc2)N(C)C)cc1 ZINC001591776730 975924576 /nfs/dbraw/zinc/92/45/76/975924576.db2.gz ITRCZRVSEVHLJY-FQEVSTJZSA-N -1 3 399.491 3.525 20 0 GHADHM C[C@@](CO)(NCCOc1ccccc1C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750869 979317934 /nfs/dbraw/zinc/31/79/34/979317934.db2.gz WETDTNXXBVCKSV-SFHVURJKSA-N -1 3 384.259 3.568 20 0 GHADHM CC[C@@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595278210 980309915 /nfs/dbraw/zinc/30/99/15/980309915.db2.gz BJPCPJFUPATFIR-FZKQIMNGSA-N -1 3 388.439 3.991 20 0 GHADHM O=C([O-])C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000902008797 980687043 /nfs/dbraw/zinc/68/70/43/980687043.db2.gz WNWXYKSDLYSTON-HNNXBMFYSA-N -1 3 381.314 3.879 20 0 GHADHM Cc1noc(C)c1CCNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000902234018 980793668 /nfs/dbraw/zinc/79/36/68/980793668.db2.gz MPUZOCGKSUWOAW-UHFFFAOYSA-N -1 3 380.444 3.901 20 0 GHADHM CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)ccc2NC1=O ZINC001595500388 981272295 /nfs/dbraw/zinc/27/22/95/981272295.db2.gz ZAJUVFFQZMDRKE-SDDDUWNISA-N -1 3 388.851 3.926 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Nc3ccccc3)nc2)c([O-])c1 ZINC001626030709 1014812910 /nfs/dbraw/zinc/81/29/10/1014812910.db2.gz ZRVPCQTYUQFIRV-UHFFFAOYSA-N -1 3 390.443 3.598 20 0 GHADHM CCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595824461 982704192 /nfs/dbraw/zinc/70/41/92/982704192.db2.gz IUTSWNITLZPRQU-ACRUOGEOSA-N -1 3 386.536 3.781 20 0 GHADHM CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001596552000 984415732 /nfs/dbraw/zinc/41/57/32/984415732.db2.gz MDBBHFMJDJQPFO-GOSISDBHSA-N -1 3 398.297 3.559 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599890806 984692004 /nfs/dbraw/zinc/69/20/04/984692004.db2.gz GKAXDVAOTRZJDH-UIAACRFSSA-N -1 3 381.476 3.517 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000468005886 1015131992 /nfs/dbraw/zinc/13/19/92/1015131992.db2.gz QRNUHEJFLPWELF-ZDUSSCGKSA-N -1 3 393.287 3.909 20 0 GHADHM CCO[C@@H]1C[C@](NCc2nc3ccccc3c(C)c2Cl)(C(=O)[O-])C1(C)C ZINC001596839075 985515348 /nfs/dbraw/zinc/51/53/48/985515348.db2.gz YAOFHQVSJSTHRK-UZLBHIALSA-N -1 3 376.884 3.945 20 0 GHADHM C[C@@H]1Cc2cc(CN[C@@H](C(=O)[O-])c3ccc(Br)cc3)ccc2O1 ZINC001594616468 986636430 /nfs/dbraw/zinc/63/64/30/986636430.db2.gz VXRKBXZEHZZDPI-PIGZYNQJSA-N -1 3 376.250 3.688 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC001594623743 986678459 /nfs/dbraw/zinc/67/84/59/986678459.db2.gz IRILLFRRPOEZIY-QGZVFWFLSA-N -1 3 380.488 3.566 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001589439549 986774984 /nfs/dbraw/zinc/77/49/84/986774984.db2.gz YPOYYCNJSWGUCS-KSFYIVLOSA-N -1 3 382.460 3.993 20 0 GHADHM C[C@@H]1OC[C@]2(CC[C@@H](CNCc3ccc(-c4ccc(C(=O)[O-])cc4)o3)O2)[C@H]1C ZINC001594639680 986780127 /nfs/dbraw/zinc/78/01/27/986780127.db2.gz IWRBXKBQYMDYPT-OFFWNCNGSA-N -1 3 385.460 3.707 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC001589616371 987478819 /nfs/dbraw/zinc/47/88/19/987478819.db2.gz ZFZXJEFNEGXKMF-MOPGFXCFSA-N -1 3 384.520 3.911 20 0 GHADHM CC(C)([C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001589681840 987715772 /nfs/dbraw/zinc/71/57/72/987715772.db2.gz HVIOKMONOPUBIN-IBGZPJMESA-N -1 3 382.451 3.642 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2C)N(C)C)cc1 ZINC001599812339 988358530 /nfs/dbraw/zinc/35/85/30/988358530.db2.gz UOECQNOJIWZQLD-GOSISDBHSA-N -1 3 387.505 3.840 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001589925111 988666784 /nfs/dbraw/zinc/66/67/84/988666784.db2.gz ISYQVSAGIRCYLB-QGZVFWFLSA-N -1 3 392.496 3.835 20 0 GHADHM C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)Cc1cc(Cl)ccc1OC(F)F ZINC001599843976 988901653 /nfs/dbraw/zinc/90/16/53/988901653.db2.gz OZCIKXUMZJSNEK-PXAZEXFGSA-N -1 3 399.821 3.778 20 0 GHADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000468258739 1015516074 /nfs/dbraw/zinc/51/60/74/1015516074.db2.gz GLDPFXCQIJGQMX-UHFFFAOYSA-N -1 3 398.470 3.508 20 0 GHADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000468258739 1015516083 /nfs/dbraw/zinc/51/60/83/1015516083.db2.gz GLDPFXCQIJGQMX-UHFFFAOYSA-N -1 3 398.470 3.508 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001598144979 990613236 /nfs/dbraw/zinc/61/32/36/990613236.db2.gz KWLJPCOUNGXGNN-LJQANCHMSA-N -1 3 376.453 3.689 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598228963 990924870 /nfs/dbraw/zinc/92/48/70/990924870.db2.gz FHRWECSGNMUCAZ-UHFFFAOYSA-N -1 3 399.875 3.835 20 0 GHADHM COc1cccc2c1OC[C@H](NCc1ccc(-c3ccccc3C(=O)[O-])o1)C2 ZINC001599693571 991110164 /nfs/dbraw/zinc/11/01/64/991110164.db2.gz MBGLTXSKSGVWNG-OAHLLOKOSA-N -1 3 379.412 3.747 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCOc4ccc(OC)cc43)nc2)n1 ZINC000545222184 1015673839 /nfs/dbraw/zinc/67/38/39/1015673839.db2.gz DZYCKYFESNEPPO-KRWDZBQOSA-N -1 3 378.432 3.751 20 0 GHADHM CN(CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cnc(C(=O)[O-])cn1 ZINC001598476605 992087679 /nfs/dbraw/zinc/08/76/79/992087679.db2.gz JAQOFDMUYKQTDT-UHFFFAOYSA-N -1 3 398.438 3.814 20 0 GHADHM Cc1ccncc1N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000545242623 1015695519 /nfs/dbraw/zinc/69/55/19/1015695519.db2.gz SNRFRSDYUSEQMO-UHFFFAOYSA-N -1 3 399.447 3.607 20 0 GHADHM CN(Cc1cccc2[nH]c(=O)oc21)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598526405 992725900 /nfs/dbraw/zinc/72/59/00/992725900.db2.gz DSHYKTLYELQENR-AWEZNQCLSA-N -1 3 391.221 3.554 20 0 GHADHM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598534111 992829864 /nfs/dbraw/zinc/82/98/64/992829864.db2.gz OSLKLCFCECPDQE-RBUKOAKNSA-N -1 3 397.425 3.937 20 0 GHADHM O=C(NCCC(F)(F)F)[C@@H]1CC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001277154792 1032126163 /nfs/dbraw/zinc/12/61/63/1032126163.db2.gz HIEZZSBJZUGYGI-ZDUSSCGKSA-N -1 3 390.833 3.716 20 0 GHADHM C[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1OCC(=O)[O-] ZINC001593246730 994456641 /nfs/dbraw/zinc/45/66/41/994456641.db2.gz OHPYFPIZODOXRL-MLGOLLRUSA-N -1 3 383.366 3.553 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4ccc(O)cc4)CC3)nc2)n1 ZINC000468717568 1015948482 /nfs/dbraw/zinc/94/84/82/1015948482.db2.gz YYHJCNPQCLPPQA-UHFFFAOYSA-N -1 3 376.460 3.896 20 0 GHADHM C[C@H](Oc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1)C(=O)[O-] ZINC001593614722 995827448 /nfs/dbraw/zinc/82/74/48/995827448.db2.gz DBQQMIJALYYISO-UWJYYQICSA-N -1 3 395.455 3.867 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593698418 996163880 /nfs/dbraw/zinc/16/38/80/996163880.db2.gz JOQODAHDTVPCLY-XJKSGUPXSA-N -1 3 394.899 3.655 20 0 GHADHM C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001593734189 996322192 /nfs/dbraw/zinc/32/21/92/996322192.db2.gz QYHQMKMFQGVALJ-DGCLKSJQSA-N -1 3 398.290 3.658 20 0 GHADHM C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001593734191 996322307 /nfs/dbraw/zinc/32/23/07/996322307.db2.gz QYHQMKMFQGVALJ-YPMHNXCESA-N -1 3 398.290 3.658 20 0 GHADHM CC1(C)CCC[C@](NCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)(C(=O)[O-])C1 ZINC001593894359 996747048 /nfs/dbraw/zinc/74/70/48/996747048.db2.gz CIDXFEAICZNNEJ-GOSISDBHSA-N -1 3 397.397 3.867 20 0 GHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000468854177 1016114322 /nfs/dbraw/zinc/11/43/22/1016114322.db2.gz GJSQYZDFWGWNGP-UHFFFAOYSA-N -1 3 398.478 3.617 20 0 GHADHM COc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599416836 997526068 /nfs/dbraw/zinc/52/60/68/997526068.db2.gz IZQLYEOQFJITBD-HZPDHXFCSA-N -1 3 377.412 3.936 20 0 GHADHM CO[C@@H]1CCC[C@H]([C@@H](NCc2cc(-c3ccccc3Cl)on2)C(=O)[O-])C1 ZINC001599108865 997529646 /nfs/dbraw/zinc/52/96/46/997529646.db2.gz MCRGRRSTFASBDV-WPKBUWHJSA-N -1 3 378.856 3.743 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594022307 997548116 /nfs/dbraw/zinc/54/81/16/997548116.db2.gz XPFMPIIMLDJKNH-HNAYVOBHSA-N -1 3 382.888 3.702 20 0 GHADHM COc1ccc([C@@H](NCc2cccc(NC(=O)OC(C)(C)C)c2)C(=O)[O-])cc1 ZINC001599532913 997690202 /nfs/dbraw/zinc/69/02/02/997690202.db2.gz XDAZYQFYMXIMKJ-GOSISDBHSA-N -1 3 386.448 3.958 20 0 GHADHM C[C@]1(NCc2ccc(C(=O)[O-])c(Br)c2)CCOc2ccccc21 ZINC001594060155 997829623 /nfs/dbraw/zinc/82/96/23/997829623.db2.gz KVSQKFIAUWVASA-SFHVURJKSA-N -1 3 376.250 3.935 20 0 GHADHM COC(=O)c1cc2cc(CN[C@@H](C)c3ccc(OCC(=O)[O-])cc3)ccc2o1 ZINC001598957842 998276335 /nfs/dbraw/zinc/27/63/35/998276335.db2.gz OMHFUSGQPIOCEL-ZDUSSCGKSA-N -1 3 383.400 3.534 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cc(C)c(O)c(C)c1)CC2 ZINC001599464037 998327630 /nfs/dbraw/zinc/32/76/30/998327630.db2.gz XSIMGDMGBRVNTH-SFHVURJKSA-N -1 3 385.460 3.600 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000468925080 1016226063 /nfs/dbraw/zinc/22/60/63/1016226063.db2.gz JGOYPUKTQWSSSC-MRXNPFEDSA-N -1 3 376.859 3.903 20 0 GHADHM C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594176611 998679847 /nfs/dbraw/zinc/67/98/47/998679847.db2.gz JCORWSBLCACSDX-GVDBMIGSSA-N -1 3 392.503 3.744 20 0 GHADHM C[C@H]1[C@H](NCc2c(F)c(F)c(Br)c(F)c2F)CC[C@H]1CC(=O)[O-] ZINC001594185788 998719557 /nfs/dbraw/zinc/71/95/57/998719557.db2.gz RTZZHPHJBBSOAN-BKPPORCPSA-N -1 3 398.194 3.985 20 0 GHADHM COC(=O)c1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001598992461 998750029 /nfs/dbraw/zinc/75/00/29/998750029.db2.gz WBEQAQDMYKHONN-INIZCTEOSA-N -1 3 381.350 3.750 20 0 GHADHM C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)Cc2cnc(C(=O)[O-])cn2)[C@@H]1C ZINC001594350626 999330167 /nfs/dbraw/zinc/33/01/67/999330167.db2.gz RTSSLZMBYUXLPQ-CLCXKQKWSA-N -1 3 397.475 3.730 20 0 GHADHM COc1ccc(C[C@@H](C)CNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000469087699 1016451969 /nfs/dbraw/zinc/45/19/69/1016451969.db2.gz XRQLQSOCPNKAJR-OAHLLOKOSA-N -1 3 389.467 3.866 20 0 GHADHM Cc1cn2c(nc(C)c2CN(C)C(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469105637 1016489480 /nfs/dbraw/zinc/48/94/80/1016489480.db2.gz XNMNHQBFUGVFJT-UHFFFAOYSA-N -1 3 375.469 3.839 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000470257718 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3 380.510 3.586 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccnc3ccc(O)cc32)c([O-])c1 ZINC001155141577 1032433290 /nfs/dbraw/zinc/43/32/90/1032433290.db2.gz OXFINLLRMSYRPG-UHFFFAOYSA-N -1 3 380.400 3.854 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3nc4nc(Cl)ccc4[n-]3)ccc2o1 ZINC001155178598 1032446350 /nfs/dbraw/zinc/44/63/50/1032446350.db2.gz LHKUSMRDJCMOBH-UHFFFAOYSA-N -1 3 384.779 3.787 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3nc4ccc(Cl)[n-]c-4n3)ccc2o1 ZINC001155178598 1032446355 /nfs/dbraw/zinc/44/63/55/1032446355.db2.gz LHKUSMRDJCMOBH-UHFFFAOYSA-N -1 3 384.779 3.787 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3nc4ccc(Cl)nc4[n-]3)ccc2o1 ZINC001155178598 1032446357 /nfs/dbraw/zinc/44/63/57/1032446357.db2.gz LHKUSMRDJCMOBH-UHFFFAOYSA-N -1 3 384.779 3.787 20 0 GHADHM COc1ccc(C(Oc2[nH]c(=S)nc3nc[n-]c32)c2ccc(OC)cc2)cc1 ZINC001227612750 1032485971 /nfs/dbraw/zinc/48/59/71/1032485971.db2.gz HCVRNMVJJDDEIY-UHFFFAOYSA-N -1 3 394.456 3.827 20 0 GHADHM COc1ccc(-c2oc3cc([O-])cc(O[C@H](C)CN(C)C)c3c(=O)c2OC)cc1 ZINC001227684578 1032516842 /nfs/dbraw/zinc/51/68/42/1032516842.db2.gz YYIHEDQRKMOAJD-CYBMUJFWSA-N -1 3 399.443 3.512 20 0 GHADHM Cc1cc(C)cc([C@H](O)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001155466595 1032553677 /nfs/dbraw/zinc/55/36/77/1032553677.db2.gz WVMHGRZTSJHFKQ-CQSZACIVSA-N -1 3 391.493 3.570 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)c([O-])c1 ZINC001155551954 1032577201 /nfs/dbraw/zinc/57/72/01/1032577201.db2.gz UNPAYHNUETWARZ-FQEVSTJZSA-N -1 3 376.456 3.849 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C4CCOCC4)C3)cc2)cc(=O)[n-]1 ZINC000929764189 1017737312 /nfs/dbraw/zinc/73/73/12/1017737312.db2.gz QTRYMHVDCYJLDC-SFHVURJKSA-N -1 3 396.491 3.828 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC23CC3)cc1 ZINC000931626238 1018014830 /nfs/dbraw/zinc/01/48/30/1018014830.db2.gz UEHIEDZJRGFSQY-QGZVFWFLSA-N -1 3 385.489 3.778 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(Cc3nc4c(s3)CCC4)CC2)o1 ZINC000932622850 1018538998 /nfs/dbraw/zinc/53/89/98/1018538998.db2.gz NYUNRXLLYHAPDE-UHFFFAOYSA-N -1 3 396.516 3.842 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H]1CC1(C)C ZINC000562778494 1018628891 /nfs/dbraw/zinc/62/88/91/1018628891.db2.gz PKFKQROIQGWKAN-OLZOCXBDSA-N -1 3 377.282 3.845 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(CN3CCCCC3)o2)c1F ZINC000935761087 1019045483 /nfs/dbraw/zinc/04/54/83/1019045483.db2.gz FABXUHNQDIOOEJ-UHFFFAOYSA-N -1 3 378.375 3.583 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000566259898 1019221498 /nfs/dbraw/zinc/22/14/98/1019221498.db2.gz GFELOQNMQUDIEX-GHMZBOCLSA-N -1 3 394.235 3.785 20 0 GHADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000572641931 1019790524 /nfs/dbraw/zinc/79/05/24/1019790524.db2.gz GAMVPDFNJXMWCT-YSHGAJCASA-N -1 3 398.528 3.600 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1F ZINC001204467884 1032907371 /nfs/dbraw/zinc/90/73/71/1032907371.db2.gz ANJIBHFNZFNBBL-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1F ZINC001204467884 1032907377 /nfs/dbraw/zinc/90/73/77/1032907377.db2.gz ANJIBHFNZFNBBL-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000191466475 1020769657 /nfs/dbraw/zinc/76/96/57/1020769657.db2.gz QPKRBAAMSQKMOK-CQSZACIVSA-N -1 3 378.404 3.740 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC001156237025 1032935588 /nfs/dbraw/zinc/93/55/88/1032935588.db2.gz HZGGUINWULHTMK-PKOBYXMFSA-N -1 3 380.488 3.534 20 0 GHADHM CCCOc1cccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)c1 ZINC000634696161 1020955785 /nfs/dbraw/zinc/95/57/85/1020955785.db2.gz MATCPOONCZUTIO-UHFFFAOYSA-N -1 3 394.422 3.540 20 0 GHADHM CC(C)(C)N=c1[n-]nc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@H]1CCCCO1 ZINC000643374607 1021100683 /nfs/dbraw/zinc/10/06/83/1021100683.db2.gz YDNCWCJHWABKLD-QYZOEREBSA-N -1 3 384.524 3.725 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001156284878 1032958612 /nfs/dbraw/zinc/95/86/12/1032958612.db2.gz OCTXPVPUVKPNJI-GFCCVEGCSA-N -1 3 385.880 3.936 20 0 GHADHM O=C([O-])c1ccccc1C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000653377652 1021241642 /nfs/dbraw/zinc/24/16/42/1021241642.db2.gz VZLUVBLPZPJILA-UHFFFAOYSA-N -1 3 396.878 3.999 20 0 GHADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001626157424 1021295084 /nfs/dbraw/zinc/29/50/84/1021295084.db2.gz MIAAPDLCIHUNIL-UHFFFAOYSA-N -1 3 398.287 4.000 20 0 GHADHM CCC(CC)Oc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001140272873 1021297221 /nfs/dbraw/zinc/29/72/21/1021297221.db2.gz TYOSZKDDPUEBQI-LSDHHAIUSA-N -1 3 399.491 3.748 20 0 GHADHM CCCc1sc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1CC ZINC001140273291 1021298682 /nfs/dbraw/zinc/29/86/82/1021298682.db2.gz VZGNAVMDLLKZQY-QWHCGFSZSA-N -1 3 389.521 3.757 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc(F)cc3[n-]nnc32)C(C)C)c1C ZINC000800259515 1021299483 /nfs/dbraw/zinc/29/94/83/1021299483.db2.gz OKVSHUFBCBBIPX-SFHVURJKSA-N -1 3 384.411 3.534 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc(F)cc3nn[n-]c32)C(C)C)c1C ZINC000800259515 1021299493 /nfs/dbraw/zinc/29/94/93/1021299493.db2.gz OKVSHUFBCBBIPX-SFHVURJKSA-N -1 3 384.411 3.534 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc(F)cc3n[n-]nc32)C(C)C)c1C ZINC000800259515 1021299505 /nfs/dbraw/zinc/29/95/05/1021299505.db2.gz OKVSHUFBCBBIPX-SFHVURJKSA-N -1 3 384.411 3.534 20 0 GHADHM CCOc1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC(=O)[O-])C3)cs2)cc1OC ZINC000903630719 1021623622 /nfs/dbraw/zinc/62/36/22/1021623622.db2.gz BJBMMSOFGKDIFB-UKRRQHHQSA-N -1 3 390.505 3.760 20 0 GHADHM O=C([O-])C[C@@H](CNCc1ncc(Br)cc1Cl)c1ccccc1 ZINC000903994349 1021668826 /nfs/dbraw/zinc/66/88/26/1021668826.db2.gz RIPDYFGBRQKQLU-LBPRGKRZSA-N -1 3 383.673 3.846 20 0 GHADHM O=C([O-])c1ccccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001140498031 1021871437 /nfs/dbraw/zinc/87/14/37/1021871437.db2.gz DZDWDRNJBCEMJT-FQEVSTJZSA-N -1 3 380.444 3.543 20 0 GHADHM Cc1[nH]c(CN2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001140498862 1021872683 /nfs/dbraw/zinc/87/26/83/1021872683.db2.gz SSYRYMIDTZNQJK-MRXNPFEDSA-N -1 3 391.512 3.599 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 ZINC001228624337 1033013147 /nfs/dbraw/zinc/01/31/47/1033013147.db2.gz AHEIIGMRQVEZHW-JGGQBBKZSA-N -1 3 387.432 3.584 20 0 GHADHM [O-]c1cccc(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c1Br ZINC001140555658 1021959987 /nfs/dbraw/zinc/95/99/87/1021959987.db2.gz QXJJIBKRAIIYLP-OAHLLOKOSA-N -1 3 389.284 3.850 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c([O-])c1 ZINC000679176242 1021970596 /nfs/dbraw/zinc/97/05/96/1021970596.db2.gz FDZOIAFGMCZDCQ-HNNXBMFYSA-N -1 3 384.480 3.586 20 0 GHADHM CN(Cc1ccsc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679537668 1022008525 /nfs/dbraw/zinc/00/85/25/1022008525.db2.gz GJWGVBFZNPSNDB-FQEVSTJZSA-N -1 3 394.496 3.974 20 0 GHADHM COC(C)(C)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000835500984 1022194068 /nfs/dbraw/zinc/19/40/68/1022194068.db2.gz UKAIKBQJAPQYMB-UHFFFAOYSA-N -1 3 395.452 3.517 20 0 GHADHM COc1cc(C(=O)OCc2ccc(Br)c(F)c2)cc(OC)c1[O-] ZINC000754261844 1022566070 /nfs/dbraw/zinc/56/60/70/1022566070.db2.gz PKQXGVASBFHVCN-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM O=C1N(c2cccnc2)CC[C@@]12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)C2 ZINC001140831001 1022649224 /nfs/dbraw/zinc/64/92/24/1022649224.db2.gz IEWDMYYTPJFSFM-LJQANCHMSA-N -1 3 392.286 3.723 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1 ZINC001140889768 1022806070 /nfs/dbraw/zinc/80/60/70/1022806070.db2.gz ZWIKJXAGHDTJFO-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000836477054 1023007370 /nfs/dbraw/zinc/00/73/70/1023007370.db2.gz SLZRVEFWTBFFMV-UHFFFAOYSA-N -1 3 395.456 3.737 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000836477054 1023007386 /nfs/dbraw/zinc/00/73/86/1023007386.db2.gz SLZRVEFWTBFFMV-UHFFFAOYSA-N -1 3 395.456 3.737 20 0 GHADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000755113611 1023079190 /nfs/dbraw/zinc/07/91/90/1023079190.db2.gz LWYMHCQNEFUTEF-BDAKNGLRSA-N -1 3 384.748 3.665 20 0 GHADHM CC[C@H]1N(Cc2cc(F)c([O-])c(F)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140993050 1023114299 /nfs/dbraw/zinc/11/42/99/1023114299.db2.gz FCOGEYFWIQAAJN-NQIIRXRSSA-N -1 3 378.463 3.816 20 0 GHADHM [O-]c1c(F)cc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1F ZINC001140994426 1023118123 /nfs/dbraw/zinc/11/81/23/1023118123.db2.gz YMJAVKDUZGAIPI-IBGZPJMESA-N -1 3 395.400 3.803 20 0 GHADHM COc1ccc(NCc2ccc3nc(C)sc3c2)cc1[N-]S(C)(=O)=O ZINC000755213910 1023130572 /nfs/dbraw/zinc/13/05/72/1023130572.db2.gz USRBJOPRAMHODM-UHFFFAOYSA-N -1 3 377.491 3.597 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000836603541 1023161115 /nfs/dbraw/zinc/16/11/15/1023161115.db2.gz ODKPWZSRXYHKGB-UHFFFAOYSA-N -1 3 383.857 3.858 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000836603541 1023161123 /nfs/dbraw/zinc/16/11/23/1023161123.db2.gz ODKPWZSRXYHKGB-UHFFFAOYSA-N -1 3 383.857 3.858 20 0 GHADHM CC[C@@H](C)N1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277331593 1033111592 /nfs/dbraw/zinc/11/15/92/1033111592.db2.gz LXVRXUCZYUFSJT-GFCCVEGCSA-N -1 3 386.323 3.707 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000755440104 1023249734 /nfs/dbraw/zinc/24/97/34/1023249734.db2.gz JNRINACVQGKITL-QGZVFWFLSA-N -1 3 389.377 3.565 20 0 GHADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cccc(Cl)c1Cl ZINC000756341340 1023597075 /nfs/dbraw/zinc/59/70/75/1023597075.db2.gz WPQIJROLLOFARM-HNNXBMFYSA-N -1 3 382.243 3.670 20 0 GHADHM COc1cc(C)c(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1OC ZINC000756347107 1023599103 /nfs/dbraw/zinc/59/91/03/1023599103.db2.gz FEULGQBEFGJCMM-QGZVFWFLSA-N -1 3 383.366 3.947 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000756347945 1023599889 /nfs/dbraw/zinc/59/98/89/1023599889.db2.gz KBTTXHGYVCVSIZ-INIZCTEOSA-N -1 3 399.365 3.647 20 0 GHADHM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC000756352051 1023601513 /nfs/dbraw/zinc/60/15/13/1023601513.db2.gz VNIZOGWOKGPZOV-QGZVFWFLSA-N -1 3 383.366 3.646 20 0 GHADHM COc1ccc(OCc2nc(CN[C@H](CC(C)(C)C)C(=O)[O-])cs2)cc1 ZINC000756362274 1023608223 /nfs/dbraw/zinc/60/82/23/1023608223.db2.gz PIMUFUATESWBNA-MRXNPFEDSA-N -1 3 378.494 3.710 20 0 GHADHM COc1ccccc1/C=C/CN[C@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000756378283 1023619448 /nfs/dbraw/zinc/61/94/48/1023619448.db2.gz CYKVMANTUWXBLR-FHVRUZERSA-N -1 3 377.444 3.700 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccccc1 ZINC000756384426 1023622771 /nfs/dbraw/zinc/62/27/71/1023622771.db2.gz PFVBITPRWWQHFJ-KSSFIOAISA-N -1 3 385.464 3.980 20 0 GHADHM O=C([N-]Cc1ccc(Oc2cccnc2)c(F)c1)C(F)(F)c1nccs1 ZINC000756663843 1023763487 /nfs/dbraw/zinc/76/34/87/1023763487.db2.gz HNGFCUGXJYRYMI-UHFFFAOYSA-N -1 3 379.363 3.878 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc([O-])c(F)c3F)cc2)C[C@@H](C)O1 ZINC000837087177 1024006146 /nfs/dbraw/zinc/00/61/46/1024006146.db2.gz IARYMDGDWWSCTO-CHWSQXEVSA-N -1 3 376.403 3.532 20 0 GHADHM Cc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1-n1nnnc1C(C)C ZINC001138175432 1024302820 /nfs/dbraw/zinc/30/28/20/1024302820.db2.gz QTIRGWSHPUHESX-UHFFFAOYSA-N -1 3 391.475 3.931 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001228959280 1033201004 /nfs/dbraw/zinc/20/10/04/1033201004.db2.gz XCTCDIWFPRDBGD-ZDUSSCGKSA-N -1 3 377.437 3.633 20 0 GHADHM Cc1nc([N-]C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cs1 ZINC000831031776 1024319861 /nfs/dbraw/zinc/31/98/61/1024319861.db2.gz TTYQHPKJLSCOOM-UHFFFAOYSA-N -1 3 392.481 3.806 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000831224527 1024435009 /nfs/dbraw/zinc/43/50/09/1024435009.db2.gz KGNIPJVCWVGNSW-CZUORRHYSA-N -1 3 394.537 3.880 20 0 GHADHM Cc1ccc2c(CCNC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)c[nH]c2c1 ZINC001138337034 1024698414 /nfs/dbraw/zinc/69/84/14/1024698414.db2.gz SLBOLEZXLNDPKQ-UHFFFAOYSA-N -1 3 381.382 3.569 20 0 GHADHM Cc1nccnc1O[C@@H]1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141360910 1024712194 /nfs/dbraw/zinc/71/21/94/1024712194.db2.gz RDMCPTJWHRQUSC-OAQYLSRUSA-N -1 3 389.455 3.804 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001138368882 1024733215 /nfs/dbraw/zinc/73/32/15/1024733215.db2.gz MKBICPOOTGNPJT-HNNXBMFYSA-N -1 3 378.350 3.593 20 0 GHADHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096363 1033275496 /nfs/dbraw/zinc/27/54/96/1033275496.db2.gz CJSKQRXKJDGPDS-JSGCOSHPSA-N -1 3 393.281 3.860 20 0 GHADHM Cc1ccc(N2CCC[C@@H](Oc3cc(O)cc([O-])c3Br)C2)nc1 ZINC001229097882 1033278639 /nfs/dbraw/zinc/27/86/39/1033278639.db2.gz YSXZXHQICPXQQK-CYBMUJFWSA-N -1 3 379.254 3.612 20 0 GHADHM O=C(OCc1ccccc1)C1CC(Oc2cc(O)cc([O-])c2Br)C1 ZINC001229099570 1033280019 /nfs/dbraw/zinc/28/00/19/1033280019.db2.gz LRSNXFGJYOYCNV-UHFFFAOYSA-N -1 3 393.233 3.761 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229099391 1033280300 /nfs/dbraw/zinc/28/03/00/1033280300.db2.gz KIIMCCCCYNIHFN-HOMQSWHASA-N -1 3 388.258 3.637 20 0 GHADHM Cc1cc(NCc2cccc([O-])c2Br)ccc1N1CCOCC1 ZINC000839008539 1025514933 /nfs/dbraw/zinc/51/49/33/1025514933.db2.gz NXXGFRHDKGAMOK-UHFFFAOYSA-N -1 3 377.282 3.912 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1ccn(-c2ccccc2)n1 ZINC001461017859 1069339299 /nfs/dbraw/zinc/33/92/99/1069339299.db2.gz TUXNUAVFUCZGAO-UHFFFAOYSA-N -1 3 379.420 3.706 20 0 GHADHM O=c1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000839201650 1025720865 /nfs/dbraw/zinc/72/08/65/1025720865.db2.gz NNYSAPIELJZAHX-DOTOQJQBSA-N -1 3 377.868 3.525 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)C[C@@H]1C ZINC001461026560 1069345576 /nfs/dbraw/zinc/34/55/76/1069345576.db2.gz MWAXCAVFHGHNHQ-BFJAYTPKSA-N -1 3 382.426 3.695 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000832755615 1025922682 /nfs/dbraw/zinc/92/26/82/1025922682.db2.gz APRBKVKYOKGZIK-OCCSQVGLSA-N -1 3 388.320 3.650 20 0 GHADHM COc1ccccc1CC1CCN(Cc2cccc(OC)c2OCC(=O)[O-])CC1 ZINC001139266570 1026115284 /nfs/dbraw/zinc/11/52/84/1026115284.db2.gz OKPKPJBDOZEBDQ-UHFFFAOYSA-N -1 3 399.487 3.622 20 0 GHADHM CC(C)(O)CO[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC000839739450 1026239881 /nfs/dbraw/zinc/23/98/81/1026239881.db2.gz AGQCAMASPQQLQT-UHFFFAOYSA-N -1 3 388.414 3.864 20 0 GHADHM COC(=O)c1nc2ccc(N[C@H](C)c3ccc(Br)s3)nc2[n-]1 ZINC001164092409 1026409557 /nfs/dbraw/zinc/40/95/57/1026409557.db2.gz OIRPLFGNEPRFRH-SSDOTTSWSA-N -1 3 381.255 3.742 20 0 GHADHM COC(=O)c1nc2nc(N[C@H](C)c3ccc(Br)s3)ccc2[n-]1 ZINC001164092409 1026409565 /nfs/dbraw/zinc/40/95/65/1026409565.db2.gz OIRPLFGNEPRFRH-SSDOTTSWSA-N -1 3 381.255 3.742 20 0 GHADHM COC(=O)c1nc2ccc(N[C@H](C)c3ccc(Br)s3)[n-]c-2n1 ZINC001164092409 1026409572 /nfs/dbraw/zinc/40/95/72/1026409572.db2.gz OIRPLFGNEPRFRH-SSDOTTSWSA-N -1 3 381.255 3.742 20 0 GHADHM C[C@@H]1Cc2cc(Br)ccc2CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139857282 1026671424 /nfs/dbraw/zinc/67/14/24/1026671424.db2.gz HFTUKZHPVYASLO-GFCCVEGCSA-N -1 3 384.281 3.576 20 0 GHADHM CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC001140141324 1026914739 /nfs/dbraw/zinc/91/47/39/1026914739.db2.gz FZTYVPZAZGDYNO-QGZVFWFLSA-N -1 3 376.497 3.989 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)[n-]1 ZINC001166223342 1026947364 /nfs/dbraw/zinc/94/73/64/1026947364.db2.gz KJEKZQJFLSQSNN-UHFFFAOYSA-N -1 3 397.243 3.879 20 0 GHADHM CSc1c(F)cccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001166348324 1026980091 /nfs/dbraw/zinc/98/00/91/1026980091.db2.gz GGEDBEUMDAMBOF-UHFFFAOYSA-N -1 3 384.436 3.595 20 0 GHADHM COc1cccc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1OC ZINC001141885696 1027580663 /nfs/dbraw/zinc/58/06/63/1027580663.db2.gz VIXRUJIJUVBBHO-UHFFFAOYSA-N -1 3 391.467 3.973 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]C[C@@H](O)c1cc2ccccc2s1 ZINC001210779148 1027649645 /nfs/dbraw/zinc/64/96/45/1027649645.db2.gz JRZKCPIMXVOJTG-OAHLLOKOSA-N -1 3 399.896 3.847 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(O)cc(C(F)(F)F)c1)OCC ZINC001210822796 1027664439 /nfs/dbraw/zinc/66/44/39/1027664439.db2.gz NOUQTCLTCURPSA-UHFFFAOYSA-N -1 3 387.358 3.592 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccco1 ZINC001211226072 1027845266 /nfs/dbraw/zinc/84/52/66/1027845266.db2.gz NMZFNTIFDRDURY-NSHDSACASA-N -1 3 386.882 3.599 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(C)ccc1OC(C)C)OCC ZINC001211279291 1027884190 /nfs/dbraw/zinc/88/41/90/1027884190.db2.gz ZXBHGGISLXIOJD-UHFFFAOYSA-N -1 3 375.469 3.963 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@]2(c3ccccc3)CC2(C)C)cc1F ZINC001213202512 1028043242 /nfs/dbraw/zinc/04/32/42/1028043242.db2.gz SHRAOXDECAFLAX-IBGZPJMESA-N -1 3 381.444 3.620 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@H]21 ZINC001142105513 1028116022 /nfs/dbraw/zinc/11/60/22/1028116022.db2.gz DEDUPRAEGVYJCI-XYYAHUGASA-N -1 3 387.307 3.902 20 0 GHADHM CC(C)N(C)Cc1nnc2n1CCCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142111620 1028143090 /nfs/dbraw/zinc/14/30/90/1028143090.db2.gz SDPRYYHHVGPUBL-UHFFFAOYSA-N -1 3 398.338 3.537 20 0 GHADHM Cn1nc(COCC2CC2)c2c1CCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142111595 1028143248 /nfs/dbraw/zinc/14/32/48/1028143248.db2.gz RNOBIUUURADWRL-UHFFFAOYSA-N -1 3 396.318 3.917 20 0 GHADHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373796 1028146744 /nfs/dbraw/zinc/14/67/44/1028146744.db2.gz ZPIPOYARNCPNMZ-UHFFFAOYSA-N -1 3 384.404 3.662 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CCC1 ZINC001213498996 1028229277 /nfs/dbraw/zinc/22/92/77/1028229277.db2.gz OUFCRDBZNSWEIS-NSHDSACASA-N -1 3 394.356 3.589 20 0 GHADHM O=S(=O)([N-][C@@H]1CC12CCC2)c1ccc(Br)cc1C(F)(F)F ZINC001213623759 1028299621 /nfs/dbraw/zinc/29/96/21/1028299621.db2.gz CAEOICAGADSDJI-LLVKDONJSA-N -1 3 384.217 3.689 20 0 GHADHM CCOC(=O)[C@@H](CCCC(C)C)[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC001213663966 1028316337 /nfs/dbraw/zinc/31/63/37/1028316337.db2.gz BAVMTVZNLIYQFB-MUSGIIIZSA-N -1 3 387.929 3.988 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(N)c2)cc1OCc1ccccc1 ZINC001213688826 1028331174 /nfs/dbraw/zinc/33/11/74/1028331174.db2.gz PWPYYDKAUCTQGF-UHFFFAOYSA-N -1 3 398.484 3.966 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001213773051 1028372608 /nfs/dbraw/zinc/37/26/08/1028372608.db2.gz GVHTZHUVCRPFQY-GOSISDBHSA-N -1 3 393.480 3.637 20 0 GHADHM CC1CCC(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001213774119 1028374345 /nfs/dbraw/zinc/37/43/45/1028374345.db2.gz WMNFQQCYKLUUOH-QWFMPGPPSA-N -1 3 385.501 3.707 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCc2cccc3cccc1c32 ZINC001213797913 1028382088 /nfs/dbraw/zinc/38/20/88/1028382088.db2.gz SWWCUDHLVKKTSO-SFHVURJKSA-N -1 3 399.443 3.731 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C(C)(C)O1 ZINC001213838793 1028402744 /nfs/dbraw/zinc/40/27/44/1028402744.db2.gz WEOZHCRLNMUDRV-JTQLQIEISA-N -1 3 383.407 3.717 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(F)cc(Br)c3F)no2)[n-]1 ZINC001213977357 1028486247 /nfs/dbraw/zinc/48/62/47/1028486247.db2.gz YUWKVPSPHAZQFJ-UHFFFAOYSA-N -1 3 398.163 3.949 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(Br)c3OC)no2)c1 ZINC001215153754 1029063705 /nfs/dbraw/zinc/06/37/05/1029063705.db2.gz KVZYHDIHJVTIIK-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)CN(C)C(C)C ZINC001142588376 1029113597 /nfs/dbraw/zinc/11/35/97/1029113597.db2.gz UICAVLXMIBWAOW-UHFFFAOYSA-N -1 3 386.336 3.586 20 0 GHADHM CN1C(=O)C2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC001142654358 1029212417 /nfs/dbraw/zinc/21/24/17/1029212417.db2.gz YVOXXUBWOFTTDC-LJQANCHMSA-N -1 3 398.890 3.834 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001216104646 1029525548 /nfs/dbraw/zinc/52/55/48/1029525548.db2.gz YVZXYYYVQYAXER-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(Br)cc1-c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001216104646 1029525554 /nfs/dbraw/zinc/52/55/54/1029525554.db2.gz YVZXYYYVQYAXER-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM c1ccc(COc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)nc2)cc1 ZINC001216107920 1029526367 /nfs/dbraw/zinc/52/63/67/1029526367.db2.gz IYUXCMFVMIYNQF-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)nc2)cc1 ZINC001216107920 1029526378 /nfs/dbraw/zinc/52/63/78/1029526378.db2.gz IYUXCMFVMIYNQF-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM COc1cc(-c2noc(-c3c([O-])cc(C)cc3O)n2)ccc1Br ZINC001216267399 1029589087 /nfs/dbraw/zinc/58/90/87/1029589087.db2.gz JPOZRMPQZGZHOQ-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)[n-]n1 ZINC001142905315 1029667805 /nfs/dbraw/zinc/66/78/05/1029667805.db2.gz BEQAMNUOKCASOT-UHFFFAOYSA-N -1 3 398.394 3.944 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)n[n-]1 ZINC001142905315 1029667812 /nfs/dbraw/zinc/66/78/12/1029667812.db2.gz BEQAMNUOKCASOT-UHFFFAOYSA-N -1 3 398.394 3.944 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)ccc1OC(F)(F)F ZINC001142905455 1029667918 /nfs/dbraw/zinc/66/79/18/1029667918.db2.gz FSKRPUUZEBCFEG-UHFFFAOYSA-N -1 3 385.342 3.824 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)ccc1OC(F)(F)F ZINC001142905455 1029667926 /nfs/dbraw/zinc/66/79/26/1029667926.db2.gz FSKRPUUZEBCFEG-UHFFFAOYSA-N -1 3 385.342 3.824 20 0 GHADHM [O-]c1cc(Cl)cc(-c2nc(-c3cc(F)c(OC4COC4)c(F)c3)no2)c1 ZINC001216702467 1029735387 /nfs/dbraw/zinc/73/53/87/1029735387.db2.gz UBWZLAAQKRPMDS-UHFFFAOYSA-N -1 3 380.734 3.818 20 0 GHADHM COc1cc(Br)c(-c2noc(-c3cc(O)ccc3[O-])n2)cc1OC ZINC001216735285 1029911582 /nfs/dbraw/zinc/91/15/82/1029911582.db2.gz GGEONCLKDZGCEQ-UHFFFAOYSA-N -1 3 393.193 3.595 20 0 GHADHM COc1ccc(-c2nc(-c3cc4c(cc3OC)C(=O)CCC4)no2)c([O-])c1OC ZINC001216765305 1029924497 /nfs/dbraw/zinc/92/44/97/1029924497.db2.gz FQJMATNHNJAWOS-UHFFFAOYSA-N -1 3 396.399 3.654 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc1C(F)(F)F ZINC001216958332 1030032108 /nfs/dbraw/zinc/03/21/08/1030032108.db2.gz FTUBRPSTVKTMCH-UHFFFAOYSA-N -1 3 380.322 3.808 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc4ncsc4c3)no2)c1C ZINC001216961160 1030033890 /nfs/dbraw/zinc/03/38/90/1030033890.db2.gz BTWDYCILYDBVKK-UHFFFAOYSA-N -1 3 378.413 3.598 20 0 GHADHM Cc1cccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1Cl ZINC001217019021 1030097237 /nfs/dbraw/zinc/09/72/37/1030097237.db2.gz GULCNNGRTCNHDH-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM CN(C(=O)c1c([O-])cnc2c(F)cccc21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001149386043 1030158101 /nfs/dbraw/zinc/15/81/01/1030158101.db2.gz KOHQIBRDGKDXSJ-QGZVFWFLSA-N -1 3 393.462 3.816 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001222598239 1030223701 /nfs/dbraw/zinc/22/37/01/1030223701.db2.gz YHABIBWRKOADQI-UHFFFAOYSA-N -1 3 395.381 3.909 20 0 GHADHM O=C([O-])c1cc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc(C(F)(F)F)c1 ZINC001222621440 1030244797 /nfs/dbraw/zinc/24/47/97/1030244797.db2.gz ULZVEBXUGQBBLI-GOSISDBHSA-N -1 3 390.361 3.984 20 0 GHADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001217453677 1030406058 /nfs/dbraw/zinc/40/60/58/1030406058.db2.gz QQVMHZYDGZMDHY-UHFFFAOYSA-N -1 3 389.411 3.805 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(Cl)cc(OC)c2)no1 ZINC001217471467 1030421203 /nfs/dbraw/zinc/42/12/03/1030421203.db2.gz SRNZIBXDDAIYPS-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(Cl)cc(OC)c4)no3)n[n-]c21 ZINC001217471467 1030421211 /nfs/dbraw/zinc/42/12/11/1030421211.db2.gz SRNZIBXDDAIYPS-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cccc(OC5CC5)c4)no3)c21 ZINC001217512486 1030454057 /nfs/dbraw/zinc/45/40/57/1030454057.db2.gz OYOVCHWYZJYUCK-UHFFFAOYSA-N -1 3 376.372 3.608 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cc(Cl)ccc4OC)no3)c21 ZINC001217512089 1030454192 /nfs/dbraw/zinc/45/41/92/1030454192.db2.gz KREAFRPUKKEEDN-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H]3Cc4ccncc4[C@H]3C)nc21 ZINC001223401394 1030554630 /nfs/dbraw/zinc/55/46/30/1030554630.db2.gz AATCYONTOOCWSO-XAILHKCVSA-N -1 3 389.814 3.808 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H]3Cc4ccncc4[C@H]3C)[n-]c21 ZINC001223401394 1030554642 /nfs/dbraw/zinc/55/46/42/1030554642.db2.gz AATCYONTOOCWSO-XAILHKCVSA-N -1 3 389.814 3.808 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c2ccccc2nc2c1CCCC2 ZINC001150697559 1030616419 /nfs/dbraw/zinc/61/64/19/1030616419.db2.gz COFMISBDWFLIPX-UHFFFAOYSA-N -1 3 394.402 3.997 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(CC(OC)OC)cc1 ZINC001151374047 1030885592 /nfs/dbraw/zinc/88/55/92/1030885592.db2.gz JOSAECZEKMENHT-UHFFFAOYSA-N -1 3 396.443 3.758 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC(C)(C)C1 ZINC001152329839 1031193653 /nfs/dbraw/zinc/19/36/53/1031193653.db2.gz OENLRTZOGAOUSI-LLVKDONJSA-N -1 3 382.382 3.935 20 0 GHADHM Cc1ccc(Oc2cccc(NC(=O)NCCCc3c[n-][nH]c3=O)c2)c(C)c1 ZINC001219824341 1031637271 /nfs/dbraw/zinc/63/72/71/1031637271.db2.gz WRFBROIJNXPIDN-INIZCTEOSA-N -1 3 380.448 3.729 20 0 GHADHM CC(C)c1ncc(OCc2ccccc2)c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)n1 ZINC001153735044 1031725155 /nfs/dbraw/zinc/72/51/55/1031725155.db2.gz MRFHWZCKEOCARD-UHFFFAOYSA-N -1 3 392.463 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226118166 1031797885 /nfs/dbraw/zinc/79/78/85/1031797885.db2.gz BPILLTMJPOVYMR-GFCCVEGCSA-N -1 3 387.452 3.666 20 0 GHADHM Cc1ccc(C)c(N2CCN(C(=O)c3cc(=O)c4cc(Cl)ccc4[n-]3)CC2)c1 ZINC001153899188 1031800009 /nfs/dbraw/zinc/80/00/09/1031800009.db2.gz FEPSULISTNQLDK-UHFFFAOYSA-N -1 3 395.890 3.761 20 0 GHADHM O=C(N[C@H]1CCOc2c(F)cc(F)cc21)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908692 1031806992 /nfs/dbraw/zinc/80/69/92/1031806992.db2.gz VXNXOXOBWQOETA-HNNXBMFYSA-N -1 3 390.773 3.713 20 0 GHADHM CC(=O)c1cnc(=O)[n-]c1OCc1ccc(OC(C)C)c(Br)c1 ZINC001226238656 1031871449 /nfs/dbraw/zinc/87/14/49/1031871449.db2.gz VWHKFAPUYLYYFZ-UHFFFAOYSA-N -1 3 381.226 3.514 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)c2c(O)cc3ccccc3c2[O-])CC1 ZINC001154019909 1031878859 /nfs/dbraw/zinc/87/88/59/1031878859.db2.gz VVIUZIKOFQTFKU-UHFFFAOYSA-N -1 3 392.455 3.612 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC001154068302 1031908505 /nfs/dbraw/zinc/90/85/05/1031908505.db2.gz WFCCMRPZSLAPRG-DJIMGWMZSA-N -1 3 379.460 3.510 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ncnc2ccc(Br)cc21 ZINC001154073215 1031911394 /nfs/dbraw/zinc/91/13/94/1031911394.db2.gz PHBUGLDVSKOHCF-UHFFFAOYSA-N -1 3 386.205 3.553 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(Cc4ccncc4)cc3)[n-]nc21 ZINC001154146488 1031950722 /nfs/dbraw/zinc/95/07/22/1031950722.db2.gz CYYDDKDNOCBCQR-UHFFFAOYSA-N -1 3 386.411 3.588 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(Cc4ccncc4)cc3)n[n-]c21 ZINC001154146488 1031950728 /nfs/dbraw/zinc/95/07/28/1031950728.db2.gz CYYDDKDNOCBCQR-UHFFFAOYSA-N -1 3 386.411 3.588 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1cc2nc(C)sc2cc1C ZINC001154146960 1031950832 /nfs/dbraw/zinc/95/08/32/1031950832.db2.gz KGJFOOXGAJEYBN-UHFFFAOYSA-N -1 3 380.429 3.828 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc4nc(C)sc4cc3C)n[n-]c21 ZINC001154146960 1031950847 /nfs/dbraw/zinc/95/08/47/1031950847.db2.gz KGJFOOXGAJEYBN-UHFFFAOYSA-N -1 3 380.429 3.828 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824543 1069773651 /nfs/dbraw/zinc/77/36/51/1069773651.db2.gz CTXZMBQBJVKPEK-NWDGAFQWSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@H]1CCC[C@@H](C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824543 1069773660 /nfs/dbraw/zinc/77/36/60/1069773660.db2.gz CTXZMBQBJVKPEK-NWDGAFQWSA-N -1 3 381.885 3.661 20 0 GHADHM CCCCOc1cc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)c2ccccc2n1 ZINC001154235115 1031997222 /nfs/dbraw/zinc/99/72/22/1031997222.db2.gz GJHHZHHRAYMYCI-UHFFFAOYSA-N -1 3 382.420 3.566 20 0 GHADHM CCCCOc1cc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)c2ccccc2n1 ZINC001154235115 1031997225 /nfs/dbraw/zinc/99/72/25/1031997225.db2.gz GJHHZHHRAYMYCI-UHFFFAOYSA-N -1 3 382.420 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226596118 1032030463 /nfs/dbraw/zinc/03/04/63/1032030463.db2.gz IYZZVSOHSHWLMJ-CQSZACIVSA-N -1 3 375.421 3.667 20 0 GHADHM CC(C)[C@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccnn1C ZINC001154311469 1032037293 /nfs/dbraw/zinc/03/72/93/1032037293.db2.gz UNKKTXZAEAKKPC-FQEVSTJZSA-N -1 3 377.488 3.886 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc([O-])c2Br)[C@@H](F)C1 ZINC001229139124 1033302217 /nfs/dbraw/zinc/30/22/17/1033302217.db2.gz FKVRJKJYQJTJLJ-JQWIXIFHSA-N -1 3 390.249 3.881 20 0 GHADHM C[C@@H](Oc1cccc([O-])c1Br)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001229139446 1033302629 /nfs/dbraw/zinc/30/26/29/1033302629.db2.gz GSBYLZYAZKVKBI-KDOFPFPSSA-N -1 3 392.293 3.823 20 0 GHADHM COc1cccc2nc(=O)[n-]c(O[C@@H](C)c3cccc(Br)n3)c21 ZINC001229239263 1033361042 /nfs/dbraw/zinc/36/10/42/1033361042.db2.gz LZSOEKBZGLMGSL-VIFPVBQESA-N -1 3 376.210 3.642 20 0 GHADHM O=c1cc(-c2ccccc2)c2cc(OC3CCN(CCF)CC3)c([O-])cc2o1 ZINC001229267920 1033380931 /nfs/dbraw/zinc/38/09/31/1033380931.db2.gz WOEGVHDELWXDAF-UHFFFAOYSA-N -1 3 383.419 3.978 20 0 GHADHM COc1ccccc1[C@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(F)(F)F ZINC001229341561 1033424565 /nfs/dbraw/zinc/42/45/65/1033424565.db2.gz KTUUJCVENUGSLO-HNNXBMFYSA-N -1 3 380.326 3.566 20 0 GHADHM COc1ccccc1[C@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(F)(F)F ZINC001229341561 1033424572 /nfs/dbraw/zinc/42/45/72/1033424572.db2.gz KTUUJCVENUGSLO-HNNXBMFYSA-N -1 3 380.326 3.566 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1c(F)cccc1Br ZINC001229342317 1033425854 /nfs/dbraw/zinc/42/58/54/1033425854.db2.gz QPNROGGTXADHRZ-SECBINFHSA-N -1 3 393.216 3.917 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1c(F)cccc1Br ZINC001229342317 1033425861 /nfs/dbraw/zinc/42/58/61/1033425861.db2.gz QPNROGGTXADHRZ-SECBINFHSA-N -1 3 393.216 3.917 20 0 GHADHM CCN1CC[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(OC)cc2)O3)C1 ZINC001229464464 1033498543 /nfs/dbraw/zinc/49/85/43/1033498543.db2.gz SVQZXJVPRCOLSJ-MJGOQNOKSA-N -1 3 383.444 3.580 20 0 GHADHM C=Cc1cc([O-])cc2nc(-c3ccc(OC[C@@H]4CN(C)CCO4)c(F)c3)oc21 ZINC001229709389 1033655525 /nfs/dbraw/zinc/65/55/25/1033655525.db2.gz IIYFQYKEZVJCMF-INIZCTEOSA-N -1 3 384.407 3.692 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC001206054486 1033701849 /nfs/dbraw/zinc/70/18/49/1033701849.db2.gz SPFMPSBRTBRCDO-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM CCCCO[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC001229843779 1033747833 /nfs/dbraw/zinc/74/78/33/1033747833.db2.gz TWKCOPIPPYJYCK-HZPDHXFCSA-N -1 3 399.329 3.938 20 0 GHADHM O=C1C[C@]2(CCN(Cc3cccc([O-])c3Br)C2)Oc2ccccc21 ZINC001206269809 1033779403 /nfs/dbraw/zinc/77/94/03/1033779403.db2.gz GGHDUVQOVAFIAU-IBGZPJMESA-N -1 3 388.261 3.765 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C1CCC1)c1c(Cl)cccc1Br ZINC000324967236 1033870006 /nfs/dbraw/zinc/87/00/06/1033870006.db2.gz KNVABEKYWOOJMO-ZDUSSCGKSA-N -1 3 378.719 3.960 20 0 GHADHM CSc1ccc(C(=O)c2nc(O[C@H](C)C(=O)OC(C)(C)C)[n-]c2C)cc1 ZINC001230136732 1033916305 /nfs/dbraw/zinc/91/63/05/1033916305.db2.gz QAWXDKPHGYFMHR-GFCCVEGCSA-N -1 3 376.478 3.780 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1OC(F)F ZINC001158339542 1034032235 /nfs/dbraw/zinc/03/22/35/1034032235.db2.gz RCBNHPPONJDBFL-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1OC(F)F ZINC001158339542 1034032246 /nfs/dbraw/zinc/03/22/46/1034032246.db2.gz RCBNHPPONJDBFL-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(-c2cccc(Cl)c2)no1 ZINC001158783376 1034269485 /nfs/dbraw/zinc/26/94/85/1034269485.db2.gz HDOHMFDVGFWOFU-NNUKFRKNSA-N -1 3 398.850 3.947 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158792562 1034272737 /nfs/dbraw/zinc/27/27/37/1034272737.db2.gz FTKMGQZMYCEDTG-QAQDUYKDSA-N -1 3 383.492 3.917 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3[n-]c(=O)nc4cccc(F)c43)C2)C1 ZINC001231073395 1034379123 /nfs/dbraw/zinc/37/91/23/1034379123.db2.gz AVSYWBYWYZVHEC-UHFFFAOYSA-N -1 3 389.427 3.643 20 0 GHADHM CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)[nH]n2)c1C ZINC001159063536 1034407914 /nfs/dbraw/zinc/40/79/14/1034407914.db2.gz NVOFPSOSWXFTHO-SNVBAGLBSA-N -1 3 393.451 3.695 20 0 GHADHM Clc1ccc(CN2CC[C@@H](Oc3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC001231122562 1034412157 /nfs/dbraw/zinc/41/21/57/1034412157.db2.gz UHJXNMPDPBGXDP-OAHLLOKOSA-N -1 3 390.274 3.827 20 0 GHADHM Cc1cc(S(=O)(=O)c2cc(C)c(O[C@@H]3CCOC3)c(C)c2)cc(C)c1[O-] ZINC001231195898 1034457115 /nfs/dbraw/zinc/45/71/15/1034457115.db2.gz KHDRIBKUFZGBTI-MRXNPFEDSA-N -1 3 376.474 3.626 20 0 GHADHM CCOC(=O)CC[C@@H](Oc1ccccc1Oc1ccccc1[O-])C(=O)OCC ZINC001231223006 1034470889 /nfs/dbraw/zinc/47/08/89/1034470889.db2.gz NMAULMHJOALPCQ-LJQANCHMSA-N -1 3 388.416 3.838 20 0 GHADHM CC(=O)c1ccc(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)cc1[O-] ZINC001159197665 1034475769 /nfs/dbraw/zinc/47/57/69/1034475769.db2.gz WIXVCHLNJPVJTA-HSZRJFAPSA-N -1 3 396.262 3.654 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1scnc1Br ZINC001159551930 1034661326 /nfs/dbraw/zinc/66/13/26/1034661326.db2.gz RLTGOVGRDHNFTO-UHFFFAOYSA-N -1 3 392.072 3.934 20 0 GHADHM COC(=O)c1ccc(N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)cc1 ZINC001231522909 1034672987 /nfs/dbraw/zinc/67/29/87/1034672987.db2.gz MEGPTNFGXNAJMW-UHFFFAOYSA-N -1 3 394.393 3.520 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)CC[C@H]1F ZINC001231523405 1034675434 /nfs/dbraw/zinc/67/54/34/1034675434.db2.gz VKQWYPBBQKWYAS-ZIAGYGMSSA-N -1 3 392.393 3.848 20 0 GHADHM Cc1ccccc1C(=O)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231526322 1034679133 /nfs/dbraw/zinc/67/91/33/1034679133.db2.gz OFVISRMRKYMWLN-UHFFFAOYSA-N -1 3 378.394 3.677 20 0 GHADHM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277549417 1034828021 /nfs/dbraw/zinc/82/80/21/1034828021.db2.gz ZZYKKLHXWFFHIU-KUHUBIRLSA-N -1 3 395.341 3.910 20 0 GHADHM O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(Br)c([O-])c2)N1C1CCCC1 ZINC001277550420 1034831546 /nfs/dbraw/zinc/83/15/46/1034831546.db2.gz ASDBOLGXJNMIKY-IAGOWNOFSA-N -1 3 393.325 3.663 20 0 GHADHM Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccc(Cl)c([O-])c2)cs1 ZINC001231729812 1034866728 /nfs/dbraw/zinc/86/67/28/1034866728.db2.gz ANNPPYAIVHSCEJ-IAGOWNOFSA-N -1 3 391.924 3.576 20 0 GHADHM O=C(CCCN1CCN(Cc2ccc(Cl)c([O-])c2)CC1)c1ccc(F)cc1 ZINC001231734993 1034871333 /nfs/dbraw/zinc/87/13/33/1034871333.db2.gz HYYQYMIOKZRNAW-UHFFFAOYSA-N -1 3 390.886 3.965 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCCC2)c1 ZINC001208373610 1034875123 /nfs/dbraw/zinc/87/51/23/1034875123.db2.gz ZPCMTKQLFXOVQV-UHFFFAOYSA-N -1 3 382.888 3.973 20 0 GHADHM O=C([O-])COc1ccccc1CN1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001231791018 1034910956 /nfs/dbraw/zinc/91/09/56/1034910956.db2.gz HLVKYYULTGZGQG-REWPJTCUSA-N -1 3 381.472 3.689 20 0 GHADHM CO[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccc(Br)s1 ZINC001160320917 1034939336 /nfs/dbraw/zinc/93/93/36/1034939336.db2.gz GGQZSACWJWXWGR-AWEZNQCLSA-N -1 3 384.251 3.745 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)c1[O-] ZINC001160321067 1034939417 /nfs/dbraw/zinc/93/94/17/1034939417.db2.gz GXUWJXWXLQKWQR-UHFFFAOYSA-N -1 3 393.418 3.969 20 0 GHADHM O=C(N[C@H](c1ccco1)c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001160496368 1034989198 /nfs/dbraw/zinc/98/91/98/1034989198.db2.gz PVPGXKKEOXEQBL-SFHVURJKSA-N -1 3 380.350 3.919 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Oc3ccccc3)cc2)s1 ZINC001208901117 1035080186 /nfs/dbraw/zinc/08/01/86/1035080186.db2.gz ILVDJVFEBXMOSF-ZDUSSCGKSA-N -1 3 390.486 3.984 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cnc(-c4ccccc4Cl)nc3)n[n-]2)o1 ZINC001160947585 1035101109 /nfs/dbraw/zinc/10/11/09/1035101109.db2.gz FCEUTLRIMRAQDC-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001160948780 1035102242 /nfs/dbraw/zinc/10/22/42/1035102242.db2.gz NVNKGGAVQXZOPF-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001160948780 1035102245 /nfs/dbraw/zinc/10/22/45/1035102245.db2.gz NVNKGGAVQXZOPF-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3nnc(Cc4ccccc4)s3)c(=O)c2c1 ZINC001161623605 1035274540 /nfs/dbraw/zinc/27/45/40/1035274540.db2.gz CGQUOJIKZQLLIG-UHFFFAOYSA-N -1 3 376.441 3.531 20 0 GHADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(SC(F)(F)F)c1 ZINC001161837981 1035312653 /nfs/dbraw/zinc/31/26/53/1035312653.db2.gz SRWLIIDYJJRFKJ-NSHDSACASA-N -1 3 398.406 3.611 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccc(I)cc3)no2)c(F)c1 ZINC001248142678 1035561791 /nfs/dbraw/zinc/56/17/91/1035561791.db2.gz VIXILRYPURJLGS-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001243156511 1036049782 /nfs/dbraw/zinc/04/97/82/1036049782.db2.gz VVOVECBDSHOAJR-UHFFFAOYSA-N -1 3 395.381 3.909 20 0 GHADHM COc1ccc(OC)c(NC(=S)Nc2c([O-])cccc2Br)c1 ZINC001245690309 1036974531 /nfs/dbraw/zinc/97/45/31/1036974531.db2.gz YVSMZDJSVCIPCI-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM O=C1CC[C@]2(CCCN(Cc3cccc([O-])c3Cl)C2)N1Cc1ccncc1 ZINC001232786239 1038551503 /nfs/dbraw/zinc/55/15/03/1038551503.db2.gz TUWZVWGTLHZCCR-NRFANRHFSA-N -1 3 385.895 3.598 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1Cl ZINC001232787621 1038555870 /nfs/dbraw/zinc/55/58/70/1038555870.db2.gz QPGQBPMZIFQFQZ-QWFCFKBJSA-N -1 3 388.895 3.779 20 0 GHADHM [O-]c1ccc(CN2CCc3c(F)cccc3C2)cc1I ZINC001232869531 1038636773 /nfs/dbraw/zinc/63/67/73/1038636773.db2.gz FMPZBJMXDJXLAW-UHFFFAOYSA-N -1 3 383.204 3.694 20 0 GHADHM [O-]c1ccc(CN2CCC(c3ccccn3)CC2)cc1I ZINC001232872772 1038637352 /nfs/dbraw/zinc/63/73/52/1038637352.db2.gz JDZQWINEXMONKF-UHFFFAOYSA-N -1 3 394.256 3.771 20 0 GHADHM Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(Cc3ccc(F)c([O-])c3F)C[C@H]21 ZINC001232936586 1038717146 /nfs/dbraw/zinc/71/71/46/1038717146.db2.gz UXRKTVBBAJEUMX-CVEARBPZSA-N -1 3 381.426 3.843 20 0 GHADHM [O-]c1cccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1F ZINC001233051530 1038807656 /nfs/dbraw/zinc/80/76/56/1038807656.db2.gz UDGLCUXOXRIBNV-SIKLNZKXSA-N -1 3 386.467 3.514 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001278674575 1039049932 /nfs/dbraw/zinc/04/99/32/1039049932.db2.gz OOUDTQALHFJZNE-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM [O-]c1ccc(F)c(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c1F ZINC001233394490 1039227145 /nfs/dbraw/zinc/22/71/45/1039227145.db2.gz PWAMUAJRKUOYEN-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1F ZINC001233393719 1039227606 /nfs/dbraw/zinc/22/76/06/1039227606.db2.gz IRFSWGGFMWBTGT-UHFFFAOYSA-N -1 3 398.247 3.917 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394280 1039228520 /nfs/dbraw/zinc/22/85/20/1039228520.db2.gz IFBFCVZJSNOXTJ-UHFFFAOYSA-N -1 3 398.453 3.961 20 0 GHADHM COc1ccc(CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(Cl)c1[O-] ZINC001233398211 1039233586 /nfs/dbraw/zinc/23/35/86/1039233586.db2.gz BXGDCSBODAYAOC-HIFRSBDPSA-N -1 3 396.915 3.886 20 0 GHADHM COc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(Cl)c1[O-] ZINC001233398729 1039235440 /nfs/dbraw/zinc/23/54/40/1039235440.db2.gz WQDAZKUCQLWRDZ-KBPBESRZSA-N -1 3 382.888 3.638 20 0 GHADHM O=c1c(-c2ccc(O)cc2)coc2cc([O-])c(OC3CCN(C4CC4)CC3)cc12 ZINC001234139815 1039878476 /nfs/dbraw/zinc/87/84/76/1039878476.db2.gz AHJYIPWCVOCMDP-UHFFFAOYSA-N -1 3 393.439 3.877 20 0 GHADHM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2c([O-])cc(Cl)cc2F)C1 ZINC001234446460 1040039937 /nfs/dbraw/zinc/03/99/37/1040039937.db2.gz FQHCKQNQAQKOSD-GFCCVEGCSA-N -1 3 375.824 3.590 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234789707 1040320666 /nfs/dbraw/zinc/32/06/66/1040320666.db2.gz BQSDGQAHMKRKIX-INIZCTEOSA-N -1 3 391.464 3.690 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C(C)=O ZINC001234791123 1040321954 /nfs/dbraw/zinc/32/19/54/1040321954.db2.gz KWFHVUWNNCYWSS-FMKPAKJESA-N -1 3 391.464 3.689 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCCC2CC=CC2)c2ccccc21)C(F)(F)F ZINC001255219622 1040911712 /nfs/dbraw/zinc/91/17/12/1040911712.db2.gz ZMKAHSSAICHRBI-OAHLLOKOSA-N -1 3 395.425 3.725 20 0 GHADHM Cc1ccc2[n-]cc(-c3nnc([C@@H]4CCN(Cc5ccccc5)C4)o3)c(=O)c2c1 ZINC001255395295 1040982774 /nfs/dbraw/zinc/98/27/74/1040982774.db2.gz CQVMDVPUUVJNBE-QGZVFWFLSA-N -1 3 386.455 3.876 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)O1 ZINC001462531894 1070334073 /nfs/dbraw/zinc/33/40/73/1070334073.db2.gz HBMXKMGSZVMIEX-OPAMFIHVSA-N -1 3 388.458 3.536 20 0 GHADHM [O-]c1cc(CN2CCN(Cc3ccc(F)cc3)CC2)ccc1Br ZINC001236692479 1041834834 /nfs/dbraw/zinc/83/48/34/1041834834.db2.gz QSNWUWZPCLBQFP-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM O=C(C1CCCCC1)N1CCCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236697527 1041839237 /nfs/dbraw/zinc/83/92/37/1041839237.db2.gz DXAYPJKLCIOKEN-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM [O-]c1cc(CN2CCN(Cc3cccc(Br)c3)CC2)ccc1F ZINC001236706046 1041844083 /nfs/dbraw/zinc/84/40/83/1041844083.db2.gz RKYIOXZTCINWEC-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM Cc1cncc(COCc2cnc3n2CCN(Cc2cc([O-])cc(F)c2)[C@@H]3C)c1 ZINC001237282405 1042122037 /nfs/dbraw/zinc/12/20/37/1042122037.db2.gz YSYXGWFBCMJWKQ-MRXNPFEDSA-N -1 3 396.466 3.725 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1cc([O-])cc(F)c1 ZINC001237286817 1042124160 /nfs/dbraw/zinc/12/41/60/1042124160.db2.gz KRRFSOWAQWHGGK-IBGZPJMESA-N -1 3 386.467 3.983 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc1N ZINC001237956659 1042437262 /nfs/dbraw/zinc/43/72/62/1042437262.db2.gz CFRDSZGDMZBQPK-UHFFFAOYSA-N -1 3 396.774 3.630 20 0 GHADHM O=C1NC[C@@H](c2ccccc2)C12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001237992811 1042447881 /nfs/dbraw/zinc/44/78/81/1042447881.db2.gz SMMYBQIZNSXHOC-INIZCTEOSA-N -1 3 388.870 3.681 20 0 GHADHM [O-]c1ccc(Br)c(CN2CCN3CCc4ccccc4[C@H]3C2)c1F ZINC001238306812 1042549922 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20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(C(C)(C)C)cc2)c(F)c1F ZINC001462742420 1070515276 /nfs/dbraw/zinc/51/52/76/1070515276.db2.gz SDJFMLJGRIZAEA-UHFFFAOYSA-N -1 3 383.460 3.928 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc3oc(=S)[n-]c3c2)N2CCCC2)cc1 ZINC001292377505 1043710505 /nfs/dbraw/zinc/71/05/05/1043710505.db2.gz DAXPNKAXINTATF-SFHVURJKSA-N -1 3 381.501 3.992 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001292553921 1043784349 /nfs/dbraw/zinc/78/43/49/1043784349.db2.gz DFILWOMBDFAHIS-ZIAGYGMSSA-N -1 3 394.537 3.880 20 0 GHADHM O=S(=O)([N-]Cc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1Cl ZINC001257288359 1043958024 /nfs/dbraw/zinc/95/80/24/1043958024.db2.gz DZIHTHHGNKZMJE-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001293365302 1044139269 /nfs/dbraw/zinc/13/92/69/1044139269.db2.gz QMUBQXOKJAXLCE-HNNXBMFYSA-N -1 3 392.496 3.604 20 0 GHADHM COc1ncccc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC001257790301 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Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1c(C)nc(Cl)nc1Cl ZINC001260128546 1045387079 /nfs/dbraw/zinc/38/70/79/1045387079.db2.gz FLAOEBQRTUHGKR-UHFFFAOYSA-N -1 3 383.260 3.749 20 0 GHADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260205192 1045413314 /nfs/dbraw/zinc/41/33/14/1045413314.db2.gz ZXGZERUTMCBWQI-QMMMGPOBSA-N -1 3 379.787 3.805 20 0 GHADHM Cc1ccc(CO)c([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)c1 ZINC001260247639 1045427553 /nfs/dbraw/zinc/42/75/53/1045427553.db2.gz RLCFOSYOKHITRX-UHFFFAOYSA-N -1 3 389.517 3.927 20 0 GHADHM Cn1ncc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC001260426302 1045490614 /nfs/dbraw/zinc/49/06/14/1045490614.db2.gz DXJOJVLNVFFUFB-UHFFFAOYSA-N -1 3 375.064 3.835 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC001260501642 1045521018 /nfs/dbraw/zinc/52/10/18/1045521018.db2.gz KCWMLBQMGWWIEV-NSHDSACASA-N -1 3 377.306 3.595 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2cncnc2Br)cc1 ZINC001260567051 1045552152 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1060518874 /nfs/dbraw/zinc/51/88/74/1060518874.db2.gz AGLJTYDVOZVVSC-UHFFFAOYSA-N -1 3 379.803 3.584 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H](CCCc4ccccc4)C3)n2C)cc(=O)[n-]1 ZINC001341290135 1060555833 /nfs/dbraw/zinc/55/58/33/1060555833.db2.gz KZBQTPNWJXJSSP-SFHVURJKSA-N -1 3 392.507 3.525 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450923521 1060718069 /nfs/dbraw/zinc/71/80/69/1060718069.db2.gz YNMCHYABQYBHSW-GFCCVEGCSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450923521 1060718077 /nfs/dbraw/zinc/71/80/77/1060718077.db2.gz YNMCHYABQYBHSW-GFCCVEGCSA-N -1 3 389.381 3.627 20 0 GHADHM CCc1nc2ccc(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)cc2nc1CC ZINC001452102269 1060901728 /nfs/dbraw/zinc/90/17/28/1060901728.db2.gz RNKCJFXPHQEPOV-UHFFFAOYSA-N -1 3 395.463 3.685 20 0 GHADHM CCc1nc2ccc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)cc2nc1CC ZINC001452102269 1060901731 /nfs/dbraw/zinc/90/17/31/1060901731.db2.gz RNKCJFXPHQEPOV-UHFFFAOYSA-N -1 3 395.463 3.685 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001452731127 1060995884 /nfs/dbraw/zinc/99/58/84/1060995884.db2.gz YOKYQKYDKZJZFY-UHFFFAOYSA-N -1 3 385.392 3.634 20 0 GHADHM CC(C)c1ccc(C(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)c([O-])c1 ZINC001453459928 1061132947 /nfs/dbraw/zinc/13/29/47/1061132947.db2.gz HNUJZVYARGUIIC-UHFFFAOYSA-N -1 3 393.531 3.600 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c([O-])c1 ZINC001453686595 1061179979 /nfs/dbraw/zinc/17/99/79/1061179979.db2.gz LKLWHYVMVSJQSQ-WOJBJXKFSA-N -1 3 380.488 3.987 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001346286554 1061497834 /nfs/dbraw/zinc/49/78/34/1061497834.db2.gz BADRYFSBJXPCDZ-XXBNENTESA-N -1 3 386.536 3.829 20 0 GHADHM COc1cc([C@H](C)NCc2nc(C)cc(=O)[n-]2)ccc1OCc1ccccc1 ZINC000775031073 1061653098 /nfs/dbraw/zinc/65/30/98/1061653098.db2.gz JLWWFYZAJNNALC-INIZCTEOSA-N -1 3 379.460 3.929 20 0 GHADHM CC(C)C[C@@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC001455101838 1062004639 /nfs/dbraw/zinc/00/46/39/1062004639.db2.gz YMODWYSYTVUTTR-OAHLLOKOSA-N -1 3 390.833 3.607 20 0 GHADHM CN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1c1ccc(F)cc1 ZINC001545813682 1062015953 /nfs/dbraw/zinc/01/59/53/1062015953.db2.gz MBQYZGANKQLUPF-WBVHZDCISA-N -1 3 382.357 3.725 20 0 GHADHM [O-]c1c(Cl)cccc1CCc1nnc(N2C[C@H]3[C@@H](C2)C3(F)F)n1CC1CC1 ZINC001347041746 1062066725 /nfs/dbraw/zinc/06/67/25/1062066725.db2.gz ZJRGEPLGWQPPJN-OKILXGFUSA-N -1 3 394.853 3.534 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)/C=C/[C@]3(C)CC[C@H](C)C3(C)C)CC2)n1 ZINC001347420947 1062371572 /nfs/dbraw/zinc/37/15/72/1062371572.db2.gz CQRHRRONJXGTAV-JVDQTSBTSA-N -1 3 386.540 3.594 20 0 GHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1oc2ccccc2c1Br ZINC001435278833 1062457092 /nfs/dbraw/zinc/45/70/92/1062457092.db2.gz YDPRDRBTIUNPGC-UHFFFAOYSA-N -1 3 375.157 3.629 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2Cl)[n-]n1 ZINC001456332502 1062618089 /nfs/dbraw/zinc/61/80/89/1062618089.db2.gz LLUCQVHXFQRIDR-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2Cl)n[n-]1 ZINC001456332502 1062618097 /nfs/dbraw/zinc/61/80/97/1062618097.db2.gz LLUCQVHXFQRIDR-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001456381207 1062649417 /nfs/dbraw/zinc/64/94/17/1062649417.db2.gz GRNUBYNIDKIERM-SSDOTTSWSA-N -1 3 385.346 3.577 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2ccccc2F)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383417 1062650728 /nfs/dbraw/zinc/65/07/28/1062650728.db2.gz KVUXISGZXSXOMW-ZETCQYMHSA-N -1 3 385.346 3.577 20 0 GHADHM C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc(C(F)(F)F)n[n-]1 ZINC001456385900 1062653255 /nfs/dbraw/zinc/65/32/55/1062653255.db2.gz QQZOVQQBCWKMJJ-VIFPVBQESA-N -1 3 377.370 3.675 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c(Cl)cccc3Cl)nc21 ZINC001435630559 1062794162 /nfs/dbraw/zinc/79/41/62/1062794162.db2.gz DPKHGRCNGALTJH-UHFFFAOYSA-N -1 3 378.215 3.838 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cncc(-c3cccc(C)c3)c2)c([O-])c(OC)c1 ZINC001456746454 1062837994 /nfs/dbraw/zinc/83/79/94/1062837994.db2.gz MYAWXIYNLXQABU-UHFFFAOYSA-N -1 3 392.411 3.810 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](O)[C@@H](C)c3ccc(C)cc3)n[n-]2)cc1 ZINC001457170826 1062997200 /nfs/dbraw/zinc/99/72/00/1062997200.db2.gz WAMNIZRKBIIHTK-MAUKXSAKSA-N -1 3 396.516 3.817 20 0 GHADHM O=C(Nc1ccc(O)cc1F)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001546088126 1062997675 /nfs/dbraw/zinc/99/76/75/1062997675.db2.gz BBRBKRKPDILUOA-UHFFFAOYSA-N -1 3 382.269 3.524 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cccc3c2OC(F)(F)O3)c([O-])c1 ZINC001457950291 1063464116 /nfs/dbraw/zinc/46/41/16/1063464116.db2.gz JPTIUCVXQBLEGC-UHFFFAOYSA-N -1 3 379.359 3.823 20 0 GHADHM COc1cc(Br)ccc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001457958158 1063468708 /nfs/dbraw/zinc/46/87/08/1063468708.db2.gz HRHCUUHWTXSBER-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM COC(=O)c1ccnc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)c1 ZINC001349205790 1063594029 /nfs/dbraw/zinc/59/40/29/1063594029.db2.gz BAOLVLYHOFTMOS-UHFFFAOYSA-N -1 3 390.351 3.691 20 0 GHADHM O=c1cc(CNc2ccc(Br)c(C(F)(F)F)n2)nc(C2CC2)[n-]1 ZINC001458600151 1063903190 /nfs/dbraw/zinc/90/31/90/1063903190.db2.gz HFZLAZKIHHVXDY-UHFFFAOYSA-N -1 3 389.175 3.848 20 0 GHADHM Cc1nn(-c2ccccc2)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1Cl ZINC001350229490 1064028065 /nfs/dbraw/zinc/02/80/65/1064028065.db2.gz FNUVHVMAAXTSQZ-UHFFFAOYSA-N -1 3 385.855 3.518 20 0 GHADHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3ccccc3Cl)cs2)n1 ZINC001350382854 1064072427 /nfs/dbraw/zinc/07/24/27/1064072427.db2.gz HFSDEHRZYHEBLT-UHFFFAOYSA-N -1 3 376.825 3.523 20 0 GHADHM COc1c(F)nccc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC001350591303 1064133524 /nfs/dbraw/zinc/13/35/24/1064133524.db2.gz WBYJMIDRNOTDKX-UHFFFAOYSA-N -1 3 394.428 3.765 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H](C(=O)[N-]OCc1cccnc1)C1CCCCCC1 ZINC001545920762 1064190451 /nfs/dbraw/zinc/19/04/51/1064190451.db2.gz XIBLUMNFARMCBN-SFHVURJKSA-N -1 3 391.512 3.741 20 0 GHADHM Cc1cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)sc1Br ZINC001350855660 1064204542 /nfs/dbraw/zinc/20/45/42/1064204542.db2.gz PAEBHHFFFSVDCL-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC001351073982 1064257092 /nfs/dbraw/zinc/25/70/92/1064257092.db2.gz JFDDAXNLWVULDK-KRWDZBQOSA-N -1 3 381.432 3.899 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)c1cccc(C)c1C ZINC001463584221 1064480440 /nfs/dbraw/zinc/48/04/40/1064480440.db2.gz VYRQKLLKKBSLEV-IBGZPJMESA-N -1 3 381.538 3.797 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001463633312 1064515204 /nfs/dbraw/zinc/51/52/04/1064515204.db2.gz OQWZICLHGXOHDH-QWRGUYRKSA-N -1 3 376.787 3.588 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C1CCCC1 ZINC001463697240 1064556027 /nfs/dbraw/zinc/55/60/27/1064556027.db2.gz JJIPXNXRJSCRPY-LLVKDONJSA-N -1 3 379.931 3.744 20 0 GHADHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001463823063 1064650132 /nfs/dbraw/zinc/65/01/32/1064650132.db2.gz XGQSJKYGQVDGPV-BLVKFPJESA-N -1 3 393.892 3.929 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC001463961756 1064741390 /nfs/dbraw/zinc/74/13/90/1064741390.db2.gz AOAFFLKZGIRZNA-KRWDZBQOSA-N -1 3 376.865 3.731 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C ZINC001463963274 1064742501 /nfs/dbraw/zinc/74/25/01/1064742501.db2.gz VRUGRJGZHIVBHD-GFCCVEGCSA-N -1 3 396.336 3.886 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC001464052906 1064790382 /nfs/dbraw/zinc/79/03/82/1064790382.db2.gz KTSPYLGZGCWRRY-UHFFFAOYSA-N -1 3 387.420 3.536 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c(Cl)c1 ZINC001464056833 1064792728 /nfs/dbraw/zinc/79/27/28/1064792728.db2.gz JIORKIBKEUSHBJ-UHFFFAOYSA-N -1 3 396.871 3.655 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001464135498 1064848620 /nfs/dbraw/zinc/84/86/20/1064848620.db2.gz HZJQVOJMROXMQC-PBHICJAKSA-N -1 3 376.250 3.884 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CC/C=C/c2ccc(Br)cc2)s1 ZINC001464151730 1064863971 /nfs/dbraw/zinc/86/39/71/1064863971.db2.gz QCATVUSFAQVBTF-DUXPYHPUSA-N -1 3 387.324 3.596 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCC1)[C@H]1CCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC001464175553 1064887297 /nfs/dbraw/zinc/88/72/97/1064887297.db2.gz LQEITTUZZYJTIP-HIFRSBDPSA-N -1 3 397.846 3.985 20 0 GHADHM O=C([N-]Cc1cccnc1-n1cccn1)C(F)(F)c1cccc(Cl)c1Cl ZINC001464403761 1064991274 /nfs/dbraw/zinc/99/12/74/1064991274.db2.gz YCODTRMODGCPLQ-UHFFFAOYSA-N -1 3 397.212 3.982 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000847316351 1065046246 /nfs/dbraw/zinc/04/62/46/1065046246.db2.gz YDUXCNDADZKKOP-UHFFFAOYSA-N -1 3 398.431 3.576 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[O-] ZINC001464603781 1065106029 /nfs/dbraw/zinc/10/60/29/1065106029.db2.gz PIWNDNDQSUFEQP-GFCCVEGCSA-N -1 3 381.407 3.719 20 0 GHADHM O=S(=O)([N-][C@@H](C1CC1)[C@H]1CCCOC1)c1cc(Cl)ccc1C(F)(F)F ZINC001464723310 1065176160 /nfs/dbraw/zinc/17/61/60/1065176160.db2.gz OWXMMLXVMWALBF-NHYWBVRUSA-N -1 3 397.846 3.842 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2)c(C)c1Cl ZINC001464733203 1065180774 /nfs/dbraw/zinc/18/07/74/1065180774.db2.gz CPRVUVDMOPGJDK-SECBINFHSA-N -1 3 391.873 3.675 20 0 GHADHM CCCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)(C)C ZINC001465110712 1065395850 /nfs/dbraw/zinc/39/58/50/1065395850.db2.gz YBEFUYOQSMWVTQ-SFHVURJKSA-N -1 3 398.544 3.991 20 0 GHADHM O=C(Nc1ccc(SC(F)F)cc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001465174204 1065436989 /nfs/dbraw/zinc/43/69/89/1065436989.db2.gz AGJIADVFWADRER-UHFFFAOYSA-N -1 3 376.392 3.749 20 0 GHADHM O=C(Nc1ccc(SC(F)F)cc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001465174204 1065436997 /nfs/dbraw/zinc/43/69/97/1065436997.db2.gz AGJIADVFWADRER-UHFFFAOYSA-N -1 3 376.392 3.749 20 0 GHADHM Cc1ccc(-n2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)c(C(C)(C)C)n2)cc1 ZINC001300192585 1065622858 /nfs/dbraw/zinc/62/28/58/1065622858.db2.gz CUNKXAJXWPEGAP-OAHLLOKOSA-N -1 3 393.491 3.537 20 0 GHADHM COc1ccc(C=C(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c2cccs2)cc1 ZINC001300192398 1065623026 /nfs/dbraw/zinc/62/30/26/1065623026.db2.gz AXWVVUJXTJLKPO-QAEAHILHSA-N -1 3 395.484 3.742 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1[O-] ZINC001300261160 1065868738 /nfs/dbraw/zinc/86/87/38/1065868738.db2.gz JWLHCXGAURZCQB-QHCPKHFHSA-N -1 3 397.471 3.624 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(I)cc1F ZINC001466117446 1065987963 /nfs/dbraw/zinc/98/79/63/1065987963.db2.gz LCXXQZGFHBGJCH-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM O=C(NC[C@]1(O)CCc2ccccc21)c1cc(CCc2ccccc2)ccc1[O-] ZINC001466286923 1066075341 /nfs/dbraw/zinc/07/53/41/1066075341.db2.gz NKVSCBUPOWPFJY-RUZDIDTESA-N -1 3 387.479 3.741 20 0 GHADHM Cc1ccc(C[C@@H](CO)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC001466896949 1066375618 /nfs/dbraw/zinc/37/56/18/1066375618.db2.gz CDPPMYZDDXEETA-NRFANRHFSA-N -1 3 375.468 3.625 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(I)c(Cl)c1 ZINC001467405205 1067274649 /nfs/dbraw/zinc/27/46/49/1067274649.db2.gz NFROLOJXRVBDTG-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(I)c(Cl)c1 ZINC001467405205 1067274656 /nfs/dbraw/zinc/27/46/56/1067274656.db2.gz NFROLOJXRVBDTG-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM CC[C@@H](C)c1ncc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cn1 ZINC001467465575 1067311315 /nfs/dbraw/zinc/31/13/15/1067311315.db2.gz SYXMOMJWCYJQDM-CQSZACIVSA-N -1 3 378.432 3.928 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(CC)c1[O-] ZINC001467568686 1067363697 /nfs/dbraw/zinc/36/36/97/1067363697.db2.gz CVZOXZIICVQSJC-QGZVFWFLSA-N -1 3 375.852 3.512 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)n1 ZINC001467592012 1067375074 /nfs/dbraw/zinc/37/50/74/1067375074.db2.gz GOTYMASDNQNNOU-UHFFFAOYSA-N -1 3 395.419 3.796 20 0 GHADHM CCc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1Cl ZINC001467952377 1067543793 /nfs/dbraw/zinc/54/37/93/1067543793.db2.gz BVNPRWMJWAVXAD-UHFFFAOYSA-N -1 3 376.859 3.638 20 0 GHADHM O=C(NCc1cccc(C(F)(F)F)n1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001468208216 1067631677 /nfs/dbraw/zinc/63/16/77/1067631677.db2.gz OJZZYTBNBBIUKF-UHFFFAOYSA-N -1 3 381.741 3.525 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001468756865 1067862608 /nfs/dbraw/zinc/86/26/08/1067862608.db2.gz RPYMFPMIEFCEFW-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001468756865 1067862619 /nfs/dbraw/zinc/86/26/19/1067862619.db2.gz RPYMFPMIEFCEFW-UHFFFAOYSA-N -1 3 381.745 3.715 20 0 GHADHM CC(C)Cn1cc([C@@H]2N(Cc3c(F)ccc([O-])c3F)CC23CCOCC3)cn1 ZINC000849482186 1067862827 /nfs/dbraw/zinc/86/28/27/1067862827.db2.gz WDYQJHSXKRTDLE-FQEVSTJZSA-N -1 3 391.462 3.877 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001468757111 1067863510 /nfs/dbraw/zinc/86/35/10/1067863510.db2.gz YFVWQJJZBKNRDL-UHFFFAOYSA-N -1 3 379.464 3.595 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001468757111 1067863517 /nfs/dbraw/zinc/86/35/17/1067863517.db2.gz YFVWQJJZBKNRDL-UHFFFAOYSA-N -1 3 379.464 3.595 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cccc(Br)c1Cl ZINC001468975449 1067942145 /nfs/dbraw/zinc/94/21/45/1067942145.db2.gz BXPJUROSNAFYFJ-UHFFFAOYSA-N -1 3 387.636 3.947 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469322177 1068100937 /nfs/dbraw/zinc/10/09/37/1068100937.db2.gz CBSPVGIAFQKOQQ-UHFFFAOYSA-N -1 3 386.383 3.720 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469322177 1068100941 /nfs/dbraw/zinc/10/09/41/1068100941.db2.gz CBSPVGIAFQKOQQ-UHFFFAOYSA-N -1 3 386.383 3.720 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001469404667 1068146057 /nfs/dbraw/zinc/14/60/57/1068146057.db2.gz YKLHDOCRINMRFT-ZYHUDNBSSA-N -1 3 393.203 3.851 20 0 GHADHM CC(C)(CO)[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1cccs1 ZINC001469480408 1068184279 /nfs/dbraw/zinc/18/42/79/1068184279.db2.gz YWJVSUWLYDHUGR-QGZVFWFLSA-N -1 3 390.892 3.733 20 0 GHADHM C[C@@](CO)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(O)cc1 ZINC001469483455 1068185022 /nfs/dbraw/zinc/18/50/22/1068185022.db2.gz IJTLKCQOFARFGC-QFIPXVFZSA-N -1 3 379.412 3.528 20 0 GHADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CCCCC2)O1 ZINC001478220150 1078770998 /nfs/dbraw/zinc/77/09/98/1078770998.db2.gz GWNBYXLDJKLHSA-ZDUSSCGKSA-N -1 3 397.313 3.788 20 0 GHADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1ncc(F)cc1F ZINC001460626166 1069040344 /nfs/dbraw/zinc/04/03/44/1069040344.db2.gz PPXYTQZVTLSIGG-UHFFFAOYSA-N -1 3 380.294 3.869 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001460719871 1069121037 /nfs/dbraw/zinc/12/10/37/1069121037.db2.gz FPMKHNYEWKQDOM-VIFPVBQESA-N -1 3 393.274 3.709 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)NCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001460751001 1069155697 /nfs/dbraw/zinc/15/56/97/1069155697.db2.gz UTRFZKDJMDFTQS-KRWDZBQOSA-N -1 3 375.465 3.655 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001460801304 1069188888 /nfs/dbraw/zinc/18/88/88/1069188888.db2.gz LEXJTUUGUBGJSE-UHFFFAOYSA-N -1 3 387.365 3.735 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001460801304 1069188894 /nfs/dbraw/zinc/18/88/94/1069188894.db2.gz LEXJTUUGUBGJSE-UHFFFAOYSA-N -1 3 387.365 3.735 20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001470788495 1072739909 /nfs/dbraw/zinc/73/99/09/1072739909.db2.gz CBTUOROSLBPUTQ-KSSFIOAISA-N -1 3 398.264 3.546 20 0 GHADHM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001470788495 1072739912 /nfs/dbraw/zinc/73/99/12/1072739912.db2.gz CBTUOROSLBPUTQ-KSSFIOAISA-N -1 3 398.264 3.546 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2)c(C)c1Cl ZINC001470787269 1072740185 /nfs/dbraw/zinc/74/01/85/1072740185.db2.gz LNKRQSSYOQCSRT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2)c(C)c1Cl ZINC001470787269 1072740193 /nfs/dbraw/zinc/74/01/93/1072740193.db2.gz LNKRQSSYOQCSRT-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM COc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c2ccccc12 ZINC001470892628 1072796352 /nfs/dbraw/zinc/79/63/52/1072796352.db2.gz CUVPWRCZYGDNKR-UHFFFAOYSA-N -1 3 378.428 3.621 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC12CC2 ZINC001470949844 1072841027 /nfs/dbraw/zinc/84/10/27/1072841027.db2.gz ODFURYCCRXWVPE-WOJBJXKFSA-N -1 3 378.472 3.702 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)c1ccccc1 ZINC001471453328 1073082025 /nfs/dbraw/zinc/08/20/25/1073082025.db2.gz MSZRWPXHSNTLCD-ZDUSSCGKSA-N -1 3 397.219 3.714 20 0 GHADHM CN(C)c1nc2c(s1)CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC001471659335 1073170800 /nfs/dbraw/zinc/17/08/00/1073170800.db2.gz YTMGUYKYAPZELT-UHFFFAOYSA-N -1 3 395.484 3.906 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)n1 ZINC001471858002 1073235279 /nfs/dbraw/zinc/23/52/79/1073235279.db2.gz RDPJBGNAPDFJNA-LJQANCHMSA-N -1 3 380.492 3.547 20 0 GHADHM COc1cccc(C2(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)CCCC2)c1 ZINC001472109416 1073336318 /nfs/dbraw/zinc/33/63/18/1073336318.db2.gz ODDWRBPVKULONN-LLVKDONJSA-N -1 3 382.386 3.521 20 0 GHADHM O=C(N[C@H]([C@@H]1CCOC1)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001472228378 1073376321 /nfs/dbraw/zinc/37/63/21/1073376321.db2.gz UYMBBEOWXZEBHC-CRAIPNDOSA-N -1 3 379.378 3.680 20 0 GHADHM COc1cccc2cc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)oc21 ZINC001472241060 1073380054 /nfs/dbraw/zinc/38/00/54/1073380054.db2.gz MBVDDTRCJIQQHN-UHFFFAOYSA-N -1 3 391.383 3.774 20 0 GHADHM COc1cccc2cc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)oc21 ZINC001472241060 1073380057 /nfs/dbraw/zinc/38/00/57/1073380057.db2.gz MBVDDTRCJIQQHN-UHFFFAOYSA-N -1 3 391.383 3.774 20 0 GHADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472242166 1073380502 /nfs/dbraw/zinc/38/05/02/1073380502.db2.gz DLWVKGAKADGWFW-DLBZAZTESA-N -1 3 391.427 3.518 20 0 GHADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472242166 1073380510 /nfs/dbraw/zinc/38/05/10/1073380510.db2.gz DLWVKGAKADGWFW-DLBZAZTESA-N -1 3 391.427 3.518 20 0 GHADHM C[S@@](=O)(=NC(=O)c1cc(F)cc2[nH]c(=S)[n-]c21)c1ccc(Cl)cc1 ZINC001472332917 1073428805 /nfs/dbraw/zinc/42/88/05/1073428805.db2.gz UNBCNQADWCHMJJ-DEOSSOPVSA-N -1 3 383.857 3.941 20 0 GHADHM Cc1cccc2c1[n-]cc(C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c2=O ZINC001472491517 1073510112 /nfs/dbraw/zinc/51/01/12/1073510112.db2.gz JRXHYUDNVKEDNW-UHFFFAOYSA-N -1 3 377.444 3.617 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(Br)cn2)c([O-])c1 ZINC001472611250 1073574725 /nfs/dbraw/zinc/57/47/25/1073574725.db2.gz RHYKZANVQKHIGZ-UHFFFAOYSA-N -1 3 379.254 3.659 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])n1)CCC3 ZINC001472817438 1073678998 /nfs/dbraw/zinc/67/89/98/1073678998.db2.gz CSBVTKULECUYHM-QWRGUYRKSA-N -1 3 397.504 3.664 20 0 GHADHM CCOC(=O)Cc1csc(SCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC001472936118 1073730406 /nfs/dbraw/zinc/73/04/06/1073730406.db2.gz WDWZYMGTTNIMCS-UHFFFAOYSA-N -1 3 391.470 3.661 20 0 GHADHM O=C(CN1CCC[C@@H](COc2ccccc2Cl)C1)[N-]OCc1ccccc1 ZINC001473352861 1073932640 /nfs/dbraw/zinc/93/26/40/1073932640.db2.gz PYCFYUFMIBZUQV-GOSISDBHSA-N -1 3 388.895 3.679 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C[C@@H]1CCCC12CCOCC2)C(F)(F)F ZINC001473567607 1074019278 /nfs/dbraw/zinc/01/92/78/1074019278.db2.gz UCNYLWSABOCNJM-DLBZAZTESA-N -1 3 396.453 3.693 20 0 GHADHM O=c1cc(CN(Cc2ccccc2)[C@@H](CO)c2ccccc2)nc(C2CC2)[n-]1 ZINC001473721324 1074107239 /nfs/dbraw/zinc/10/72/39/1074107239.db2.gz OWQCGBVOEHHUES-NRFANRHFSA-N -1 3 375.472 3.795 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@H]1C(F)(F)F ZINC001474700360 1074524275 /nfs/dbraw/zinc/52/42/75/1074524275.db2.gz VMRFGZPQWCZGSZ-CHWSQXEVSA-N -1 3 392.393 3.666 20 0 GHADHM [O-]c1cc(Br)cnc1CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001474717798 1074532187 /nfs/dbraw/zinc/53/21/87/1074532187.db2.gz SLWOAVZUZLHRQW-ZWKOTPCHSA-N -1 3 391.309 3.508 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(F)c1 ZINC001474789366 1074563705 /nfs/dbraw/zinc/56/37/05/1074563705.db2.gz JIZZLHOYMHDTEQ-HNNXBMFYSA-N -1 3 395.477 3.518 20 0 GHADHM Cc1ccc(CCC[N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c(C)c1 ZINC001474794701 1074567311 /nfs/dbraw/zinc/56/73/11/1074567311.db2.gz SGTDBQQUKATNEM-XMMPIXPASA-N -1 3 386.583 3.501 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)c1 ZINC001474825728 1074580775 /nfs/dbraw/zinc/58/07/75/1074580775.db2.gz XETGZSYEFQWPIM-KRWDZBQOSA-N -1 3 393.480 3.639 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccccc1Cl ZINC001474967665 1074657563 /nfs/dbraw/zinc/65/75/63/1074657563.db2.gz RIWIUXFLAHQXPJ-ZDUSSCGKSA-N -1 3 395.834 3.768 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(O[C@@H](C)CC(C)C)c2)c(F)c1F ZINC001474975246 1074662560 /nfs/dbraw/zinc/66/25/60/1074662560.db2.gz KFCXKCPVYHCEJY-AWEZNQCLSA-N -1 3 398.475 3.960 20 0 GHADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001474995621 1074674783 /nfs/dbraw/zinc/67/47/83/1074674783.db2.gz OAERABJKKGQXCB-UHFFFAOYSA-N -1 3 398.750 3.712 20 0 GHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCCC2 ZINC001475029668 1074694797 /nfs/dbraw/zinc/69/47/97/1074694797.db2.gz XQBLXSGHHPMBKW-CABCVRRESA-N -1 3 375.893 3.885 20 0 GHADHM COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)C(C)C ZINC001475065275 1074719348 /nfs/dbraw/zinc/71/93/48/1074719348.db2.gz KAMZWCAGYYAFCM-MRXNPFEDSA-N -1 3 399.459 3.528 20 0 GHADHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001475071413 1074723262 /nfs/dbraw/zinc/72/32/62/1074723262.db2.gz FLYDBCYSCQKMMH-UHFFFAOYSA-N -1 3 376.478 3.779 20 0 GHADHM Cc1cccc(C)c1OC[C@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1 ZINC001475077425 1074727109 /nfs/dbraw/zinc/72/71/09/1074727109.db2.gz NKMZEDYCXAOZOP-KRWDZBQOSA-N -1 3 388.514 3.859 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(C)C)cc2)s1 ZINC001475103118 1074738423 /nfs/dbraw/zinc/73/84/23/1074738423.db2.gz HKTCTSFEINVMIG-ZDUSSCGKSA-N -1 3 381.519 3.568 20 0 GHADHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC001475195854 1074779647 /nfs/dbraw/zinc/77/96/47/1074779647.db2.gz TVHBLRXNAUQTII-FMQWLBJXSA-N -1 3 385.913 3.742 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2ccc(F)cc21)c1cnc(Cl)c(Cl)c1 ZINC001475270242 1074814650 /nfs/dbraw/zinc/81/46/50/1074814650.db2.gz WMDPBBOQLQATJB-CQSZACIVSA-N -1 3 375.252 3.883 20 0 GHADHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC001475438198 1074874911 /nfs/dbraw/zinc/87/49/11/1074874911.db2.gz JRLRDTWJPJHOAD-GFCCVEGCSA-N -1 3 382.309 3.638 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CCc2ccccc2F)CCCCCC1 ZINC001475457669 1074881944 /nfs/dbraw/zinc/88/19/44/1074881944.db2.gz YFWRCFADACSZNB-UHFFFAOYSA-N -1 3 399.528 3.722 20 0 GHADHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001475489917 1074893078 /nfs/dbraw/zinc/89/30/78/1074893078.db2.gz SFEAYLXPRWQBCT-LLVKDONJSA-N -1 3 384.851 3.510 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C1CCCCC1 ZINC001475534077 1074907379 /nfs/dbraw/zinc/90/73/79/1074907379.db2.gz FNVWZPROYNAWAO-MRXNPFEDSA-N -1 3 380.535 3.684 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001475611588 1074926872 /nfs/dbraw/zinc/92/68/72/1074926872.db2.gz PBSFZPOLKLZNRP-ZWKOTPCHSA-N -1 3 398.532 3.679 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC001475617584 1074928704 /nfs/dbraw/zinc/92/87/04/1074928704.db2.gz WVKYOCKTKNFEDR-GWCFXTLKSA-N -1 3 385.835 3.842 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCCCC1 ZINC001475689131 1074999623 /nfs/dbraw/zinc/99/96/23/1074999623.db2.gz ZQZFLMNIDGYWLY-UHFFFAOYSA-N -1 3 391.971 3.689 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCC3(CCC3)O2)s1 ZINC001475714171 1075006144 /nfs/dbraw/zinc/00/61/44/1075006144.db2.gz CRLADXZTFZFQBF-NSHDSACASA-N -1 3 394.356 3.589 20 0 GHADHM CCOC(=O)[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(C)C ZINC001475713381 1075006153 /nfs/dbraw/zinc/00/61/53/1075006153.db2.gz PKLFGHDUYXUNGX-INIZCTEOSA-N -1 3 396.336 3.887 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C(C)(C)O1 ZINC001475719420 1075008116 /nfs/dbraw/zinc/00/81/16/1075008116.db2.gz HVHYZJMKUKNFPQ-SNVBAGLBSA-N -1 3 388.942 3.822 20 0 GHADHM Cc1cccc([C@H]([N-]S(=O)(=O)C2CCC(C)CC2)C(=O)OC(C)(C)C)c1 ZINC001475740799 1075012312 /nfs/dbraw/zinc/01/23/12/1075012312.db2.gz GJZKZXBJYYCZDR-UYJHFMRCSA-N -1 3 381.538 3.876 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1c(F)cccc1F ZINC001601658197 1126223436 /nfs/dbraw/zinc/22/34/36/1126223436.db2.gz HFGRBWXHRNZOCB-OAHLLOKOSA-N -1 3 375.293 3.649 20 0 GHADHM CCCCSCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736463098 598829215 /nfs/dbraw/zinc/82/92/15/598829215.db2.gz MTBXMIZHTVWYOP-UHFFFAOYSA-N -1 3 388.522 3.852 20 0 GHADHM CCCCSCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736463098 598829217 /nfs/dbraw/zinc/82/92/17/598829217.db2.gz MTBXMIZHTVWYOP-UHFFFAOYSA-N -1 3 388.522 3.852 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736637067 598830509 /nfs/dbraw/zinc/83/05/09/598830509.db2.gz OCODSJJQBDTSEB-UHFFFAOYSA-N -1 3 396.838 3.581 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000736637067 598830511 /nfs/dbraw/zinc/83/05/11/598830511.db2.gz OCODSJJQBDTSEB-UHFFFAOYSA-N -1 3 396.838 3.581 20 0 GHADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1F ZINC000737313713 598834053 /nfs/dbraw/zinc/83/40/53/598834053.db2.gz ZLRWTIBZIQSZKF-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cc(F)cc(F)c1 ZINC000738113221 598836535 /nfs/dbraw/zinc/83/65/35/598836535.db2.gz WWDSFWPIHRXKAU-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736399267 598837224 /nfs/dbraw/zinc/83/72/24/598837224.db2.gz GENJYXMWOLAEGO-MRXNPFEDSA-N -1 3 395.463 3.834 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc(C)c2C)c1C ZINC000737385387 598839726 /nfs/dbraw/zinc/83/97/26/598839726.db2.gz RZATUSRPDGFEQY-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)on1 ZINC000735922523 598862262 /nfs/dbraw/zinc/86/22/62/598862262.db2.gz LAXBVXRKLVDUAQ-UHFFFAOYSA-N -1 3 380.433 3.959 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000736037445 598888872 /nfs/dbraw/zinc/88/88/72/598888872.db2.gz LHVLYJDGJFMIIT-ZDUSSCGKSA-N -1 3 398.850 3.562 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000736037445 598888873 /nfs/dbraw/zinc/88/88/73/598888873.db2.gz LHVLYJDGJFMIIT-ZDUSSCGKSA-N -1 3 398.850 3.562 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736261619 598890094 /nfs/dbraw/zinc/89/00/94/598890094.db2.gz LBDPRMPLPISPLO-SWLSCSKDSA-N -1 3 382.493 3.583 20 0 GHADHM O=C(OCc1ccc2ccccc2c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738234278 598901769 /nfs/dbraw/zinc/90/17/69/598901769.db2.gz ZASOUSPJEGYOTH-OAQYLSRUSA-N -1 3 399.454 3.732 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736352040 598908516 /nfs/dbraw/zinc/90/85/16/598908516.db2.gz UPANJGCQCXHJOY-SFHVURJKSA-N -1 3 396.539 3.512 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736352040 598908518 /nfs/dbraw/zinc/90/85/18/598908518.db2.gz UPANJGCQCXHJOY-SFHVURJKSA-N -1 3 396.539 3.512 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)s1 ZINC000736679231 598911794 /nfs/dbraw/zinc/91/17/94/598911794.db2.gz OVMRYSMOKKMLJJ-SNVBAGLBSA-N -1 3 389.506 3.619 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)s1 ZINC000736679231 598911795 /nfs/dbraw/zinc/91/17/95/598911795.db2.gz OVMRYSMOKKMLJJ-SNVBAGLBSA-N -1 3 389.506 3.619 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735922705 598912115 /nfs/dbraw/zinc/91/21/15/598912115.db2.gz IIILSYGAESUTPJ-DLBZAZTESA-N -1 3 379.439 3.896 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735922705 598912117 /nfs/dbraw/zinc/91/21/17/598912117.db2.gz IIILSYGAESUTPJ-DLBZAZTESA-N -1 3 379.439 3.896 20 0 GHADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736265890 598923067 /nfs/dbraw/zinc/92/30/67/598923067.db2.gz DWEKUAIBASRYQW-AWEZNQCLSA-N -1 3 393.451 3.850 20 0 GHADHM C[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736265890 598923068 /nfs/dbraw/zinc/92/30/68/598923068.db2.gz DWEKUAIBASRYQW-AWEZNQCLSA-N -1 3 393.451 3.850 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736248527 598925767 /nfs/dbraw/zinc/92/57/67/598925767.db2.gz IZMBYUJNNYNBHX-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736248527 598925769 /nfs/dbraw/zinc/92/57/69/598925769.db2.gz IZMBYUJNNYNBHX-HZPDHXFCSA-N -1 3 391.475 3.849 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)[C@@H](C)C(C)C ZINC000736508458 598927605 /nfs/dbraw/zinc/92/76/05/598927605.db2.gz MDYNQXNVJIODRY-INIZCTEOSA-N -1 3 393.491 3.952 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)[C@@H](C)C(C)C ZINC000736508458 598927607 /nfs/dbraw/zinc/92/76/07/598927607.db2.gz MDYNQXNVJIODRY-INIZCTEOSA-N -1 3 393.491 3.952 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000737566326 598939410 /nfs/dbraw/zinc/93/94/10/598939410.db2.gz ZHOFMQRAGDJGBH-CYBMUJFWSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000737566326 598939411 /nfs/dbraw/zinc/93/94/11/598939411.db2.gz ZHOFMQRAGDJGBH-CYBMUJFWSA-N -1 3 379.855 3.780 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736555219 598939738 /nfs/dbraw/zinc/93/97/38/598939738.db2.gz JTIRBPDREDWRJM-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM CCN(Cc1ccc(C(F)(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736555219 598939740 /nfs/dbraw/zinc/93/97/40/598939740.db2.gz JTIRBPDREDWRJM-UHFFFAOYSA-N -1 3 382.777 3.960 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736400783 598942448 /nfs/dbraw/zinc/94/24/48/598942448.db2.gz SAACBWLBEXARQK-ZBFHGGJFSA-N -1 3 395.463 3.737 20 0 GHADHM O=C1[C@@H](Nc2ccc(-c3ccccc3)cc2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738298753 598960113 /nfs/dbraw/zinc/96/01/13/598960113.db2.gz XTQWHWXZKQSPBF-NRFANRHFSA-N -1 3 396.454 3.751 20 0 GHADHM O=C1[C@@H](Nc2ccc(-c3ccccc3)cc2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738298753 598960114 /nfs/dbraw/zinc/96/01/14/598960114.db2.gz XTQWHWXZKQSPBF-NRFANRHFSA-N -1 3 396.454 3.751 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736274867 598979969 /nfs/dbraw/zinc/97/99/69/598979969.db2.gz VTJBTTOWUCEPJI-FOIQADDNSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736274867 598979971 /nfs/dbraw/zinc/97/99/71/598979971.db2.gz VTJBTTOWUCEPJI-FOIQADDNSA-N -1 3 391.475 3.754 20 0 GHADHM CC(C)CCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735796935 598988820 /nfs/dbraw/zinc/98/88/20/598988820.db2.gz KEDUPIZDHJFYAX-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736342585 599002574 /nfs/dbraw/zinc/00/25/74/599002574.db2.gz QAKGSEWSPXYCKE-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736363027 599012100 /nfs/dbraw/zinc/01/21/00/599012100.db2.gz MCUAITVSNMSRIX-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736363027 599012102 /nfs/dbraw/zinc/01/21/02/599012102.db2.gz MCUAITVSNMSRIX-DIFFPNOSSA-N -1 3 386.406 3.656 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502584 599015731 /nfs/dbraw/zinc/01/57/31/599015731.db2.gz OENBJTROIQGTNR-KXBFYZLASA-N -1 3 375.476 3.896 20 0 GHADHM CCN(C(=O)C[C@@H]1CCc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502584 599015732 /nfs/dbraw/zinc/01/57/32/599015732.db2.gz OENBJTROIQGTNR-KXBFYZLASA-N -1 3 375.476 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738191959 599035959 /nfs/dbraw/zinc/03/59/59/599035959.db2.gz ORHFILNMERDVFO-STQMWFEESA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738191959 599035962 /nfs/dbraw/zinc/03/59/62/599035962.db2.gz ORHFILNMERDVFO-STQMWFEESA-N -1 3 389.337 3.508 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000822351778 599036866 /nfs/dbraw/zinc/03/68/66/599036866.db2.gz QIVOJXBSKBHXGF-KRWDZBQOSA-N -1 3 389.381 3.772 20 0 GHADHM Cc1ccc2cccc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c2n1 ZINC000737375708 599042768 /nfs/dbraw/zinc/04/27/68/599042768.db2.gz FNHCRLNFDDAZCK-UHFFFAOYSA-N -1 3 384.443 3.528 20 0 GHADHM Cc1ccc2cccc(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c2n1 ZINC000737375708 599042771 /nfs/dbraw/zinc/04/27/71/599042771.db2.gz FNHCRLNFDDAZCK-UHFFFAOYSA-N -1 3 384.443 3.528 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCCCOCc2ccccc2)n1 ZINC000737635012 599049322 /nfs/dbraw/zinc/04/93/22/599049322.db2.gz CSOFEDFWGJNIJN-UHFFFAOYSA-N -1 3 392.385 3.689 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCCCOCc2ccccc2)n1 ZINC000737635012 599049324 /nfs/dbraw/zinc/04/93/24/599049324.db2.gz CSOFEDFWGJNIJN-UHFFFAOYSA-N -1 3 392.385 3.689 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738178346 599053390 /nfs/dbraw/zinc/05/33/90/599053390.db2.gz KAJSKKUXBCDTNJ-ZDUSSCGKSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000738178346 599053393 /nfs/dbraw/zinc/05/33/93/599053393.db2.gz KAJSKKUXBCDTNJ-ZDUSSCGKSA-N -1 3 396.760 3.945 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819933230 599056278 /nfs/dbraw/zinc/05/62/78/599056278.db2.gz KHJUPENYTAVGQD-KRWDZBQOSA-N -1 3 398.442 3.684 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000736110283 599062615 /nfs/dbraw/zinc/06/26/15/599062615.db2.gz HNMMTFSOEDLEPW-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736110283 599062618 /nfs/dbraw/zinc/06/26/18/599062618.db2.gz HNMMTFSOEDLEPW-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736656017 599066344 /nfs/dbraw/zinc/06/63/44/599066344.db2.gz ZRZDYMZAEDARAM-LLVKDONJSA-N -1 3 387.440 3.524 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736656017 599066346 /nfs/dbraw/zinc/06/63/46/599066346.db2.gz ZRZDYMZAEDARAM-LLVKDONJSA-N -1 3 387.440 3.524 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503710 599070372 /nfs/dbraw/zinc/07/03/72/599070372.db2.gz ZZZDPQLPBCOSEU-XHBKTUGNSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503710 599070376 /nfs/dbraw/zinc/07/03/76/599070376.db2.gz ZZZDPQLPBCOSEU-XHBKTUGNSA-N -1 3 397.429 3.858 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000736244263 599071174 /nfs/dbraw/zinc/07/11/74/599071174.db2.gz GELWSLLZQCZTEI-IUODEOHRSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000736244263 599071177 /nfs/dbraw/zinc/07/11/77/599071177.db2.gz GELWSLLZQCZTEI-IUODEOHRSA-N -1 3 381.402 3.584 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000822737290 599076264 /nfs/dbraw/zinc/07/62/64/599076264.db2.gz TVQWYVJGMTWBEP-LLVKDONJSA-N -1 3 384.173 3.997 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000822737290 599076266 /nfs/dbraw/zinc/07/62/66/599076266.db2.gz TVQWYVJGMTWBEP-LLVKDONJSA-N -1 3 384.173 3.997 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)[C@H]1C ZINC000736264230 599081305 /nfs/dbraw/zinc/08/13/05/599081305.db2.gz CKKZUICDCFHOFX-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)[C@H]1C ZINC000736264230 599081308 /nfs/dbraw/zinc/08/13/08/599081308.db2.gz CKKZUICDCFHOFX-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736264237 599081859 /nfs/dbraw/zinc/08/18/59/599081859.db2.gz CKKZUICDCFHOFX-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736264237 599081861 /nfs/dbraw/zinc/08/18/61/599081861.db2.gz CKKZUICDCFHOFX-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM CC1(C)CCC(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736212358 599083846 /nfs/dbraw/zinc/08/38/46/599083846.db2.gz WRWALBPINUZSKT-UHFFFAOYSA-N -1 3 392.463 3.753 20 0 GHADHM CC1(C)CCC(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736212358 599083849 /nfs/dbraw/zinc/08/38/49/599083849.db2.gz WRWALBPINUZSKT-UHFFFAOYSA-N -1 3 392.463 3.753 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736232339 599101239 /nfs/dbraw/zinc/10/12/39/599101239.db2.gz CPFHZSYZGBQHMO-GOEBONIOSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736232339 599101240 /nfs/dbraw/zinc/10/12/40/599101240.db2.gz CPFHZSYZGBQHMO-GOEBONIOSA-N -1 3 393.495 3.833 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735722683 599102983 /nfs/dbraw/zinc/10/29/83/599102983.db2.gz VMJZROYQROJUKR-KRWDZBQOSA-N -1 3 384.871 3.717 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735722683 599102984 /nfs/dbraw/zinc/10/29/84/599102984.db2.gz VMJZROYQROJUKR-KRWDZBQOSA-N -1 3 384.871 3.717 20 0 GHADHM COc1ccccc1[C@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821882752 599127893 /nfs/dbraw/zinc/12/78/93/599127893.db2.gz JQYHRAPIRXQQTF-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@H](C)S[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821882752 599127895 /nfs/dbraw/zinc/12/78/95/599127895.db2.gz JQYHRAPIRXQQTF-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821883199 599128408 /nfs/dbraw/zinc/12/84/08/599128408.db2.gz SBRMUQDUHSFSAY-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821883199 599128411 /nfs/dbraw/zinc/12/84/11/599128411.db2.gz SBRMUQDUHSFSAY-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)OC(C)(C)C ZINC000742611492 599133763 /nfs/dbraw/zinc/13/37/63/599133763.db2.gz SUORVXJNIAEMQH-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)OC(C)(C)C ZINC000742611492 599133765 /nfs/dbraw/zinc/13/37/65/599133765.db2.gz SUORVXJNIAEMQH-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233563 599137414 /nfs/dbraw/zinc/13/74/14/599137414.db2.gz RIIQCAOPPRWYLI-YSSFQJQWSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233563 599137416 /nfs/dbraw/zinc/13/74/16/599137416.db2.gz RIIQCAOPPRWYLI-YSSFQJQWSA-N -1 3 391.475 3.520 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2sccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148139 599143865 /nfs/dbraw/zinc/14/38/65/599143865.db2.gz LSXWZJRCTBUXNE-SJCJKPOMSA-N -1 3 399.545 3.868 20 0 GHADHM CCN(C(=O)[C@H]1SCCc2sccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148139 599143866 /nfs/dbraw/zinc/14/38/66/599143866.db2.gz LSXWZJRCTBUXNE-SJCJKPOMSA-N -1 3 399.545 3.868 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000737433336 599145815 /nfs/dbraw/zinc/14/58/15/599145815.db2.gz DUJVHEQDGFXANT-HNNXBMFYSA-N -1 3 385.859 3.742 20 0 GHADHM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000737433336 599145817 /nfs/dbraw/zinc/14/58/17/599145817.db2.gz DUJVHEQDGFXANT-HNNXBMFYSA-N -1 3 385.859 3.742 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000736817755 599148065 /nfs/dbraw/zinc/14/80/65/599148065.db2.gz IXOQXOCRNIYUMV-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000736817755 599148066 /nfs/dbraw/zinc/14/80/66/599148066.db2.gz IXOQXOCRNIYUMV-UHFFFAOYSA-N -1 3 380.452 3.708 20 0 GHADHM CC(C)C(=O)COC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735684059 599148749 /nfs/dbraw/zinc/14/87/49/599148749.db2.gz IJJXMFKMGCSNDL-UHFFFAOYSA-N -1 3 396.472 3.541 20 0 GHADHM CC(C)C(=O)COC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735684059 599148752 /nfs/dbraw/zinc/14/87/52/599148752.db2.gz IJJXMFKMGCSNDL-UHFFFAOYSA-N -1 3 396.472 3.541 20 0 GHADHM Brc1ccccc1-c1cnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735369808 599158131 /nfs/dbraw/zinc/15/81/31/599158131.db2.gz XAFDATFPZLCNHJ-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccccc1-c1cnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735369808 599158132 /nfs/dbraw/zinc/15/81/32/599158132.db2.gz XAFDATFPZLCNHJ-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820881906 599167934 /nfs/dbraw/zinc/16/79/34/599167934.db2.gz FKLHMLLBVOWJRG-FPAJZGIOSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820881906 599167936 /nfs/dbraw/zinc/16/79/36/599167936.db2.gz FKLHMLLBVOWJRG-FPAJZGIOSA-N -1 3 395.438 3.513 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3ccccc3)n2C)c(-c2nnn[n-]2)c1C ZINC000737563780 599178186 /nfs/dbraw/zinc/17/81/86/599178186.db2.gz QGBBPUBSAPIQPX-UHFFFAOYSA-N -1 3 378.461 3.803 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3ccccc3)n2C)c(-c2nn[n-]n2)c1C ZINC000737563780 599178189 /nfs/dbraw/zinc/17/81/89/599178189.db2.gz QGBBPUBSAPIQPX-UHFFFAOYSA-N -1 3 378.461 3.803 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192422 599178247 /nfs/dbraw/zinc/17/82/47/599178247.db2.gz NDQRTVULSUNNDP-ZWKOTPCHSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192422 599178250 /nfs/dbraw/zinc/17/82/50/599178250.db2.gz NDQRTVULSUNNDP-ZWKOTPCHSA-N -1 3 379.439 3.549 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000735446816 599179285 /nfs/dbraw/zinc/17/92/85/599179285.db2.gz GPJBOLUJPJENRB-CMDGGOBGSA-N -1 3 379.367 3.989 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000735446816 599179287 /nfs/dbraw/zinc/17/92/87/599179287.db2.gz GPJBOLUJPJENRB-CMDGGOBGSA-N -1 3 379.367 3.989 20 0 GHADHM CCCc1ncc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OCC)s1 ZINC000736494712 599179478 /nfs/dbraw/zinc/17/94/78/599179478.db2.gz DYDUAWGQOBTBSV-UHFFFAOYSA-N -1 3 393.856 3.547 20 0 GHADHM CCCc1ncc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OCC)s1 ZINC000736494712 599179480 /nfs/dbraw/zinc/17/94/80/599179480.db2.gz DYDUAWGQOBTBSV-UHFFFAOYSA-N -1 3 393.856 3.547 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H](C)S1 ZINC000820742190 599184848 /nfs/dbraw/zinc/18/48/48/599184848.db2.gz HZCPRXUYMGIKQN-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)S1 ZINC000820742190 599184849 /nfs/dbraw/zinc/18/48/49/599184849.db2.gz HZCPRXUYMGIKQN-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000737067916 599185434 /nfs/dbraw/zinc/18/54/34/599185434.db2.gz VRTCNSZQJIEQBB-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000737067916 599185435 /nfs/dbraw/zinc/18/54/35/599185435.db2.gz VRTCNSZQJIEQBB-UHFFFAOYSA-N -1 3 389.415 3.624 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120715 599187175 /nfs/dbraw/zinc/18/71/75/599187175.db2.gz SRGPSOPVAKZLFL-UHFFFAOYSA-N -1 3 383.408 3.790 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120715 599187177 /nfs/dbraw/zinc/18/71/77/599187177.db2.gz SRGPSOPVAKZLFL-UHFFFAOYSA-N -1 3 383.408 3.790 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC(C2CCCC2)CC1 ZINC000822955189 599193395 /nfs/dbraw/zinc/19/33/95/599193395.db2.gz LNGLSSNPVJBZEA-UHFFFAOYSA-N -1 3 397.523 3.845 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC(C2CCCC2)CC1 ZINC000822955189 599193398 /nfs/dbraw/zinc/19/33/98/599193398.db2.gz LNGLSSNPVJBZEA-UHFFFAOYSA-N -1 3 397.523 3.845 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821161007 599211547 /nfs/dbraw/zinc/21/15/47/599211547.db2.gz SVSVEQOFZIDIJR-IBGZPJMESA-N -1 3 381.455 3.735 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821161007 599211548 /nfs/dbraw/zinc/21/15/48/599211548.db2.gz SVSVEQOFZIDIJR-IBGZPJMESA-N -1 3 381.455 3.735 20 0 GHADHM Clc1cccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000822585638 599219574 /nfs/dbraw/zinc/21/95/74/599219574.db2.gz IHNODNRPCLZREL-CQSZACIVSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000822585638 599219577 /nfs/dbraw/zinc/21/95/77/599219577.db2.gz IHNODNRPCLZREL-CQSZACIVSA-N -1 3 383.839 3.633 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)c(C)[nH]1 ZINC000822176324 599220714 /nfs/dbraw/zinc/22/07/14/599220714.db2.gz JJKRPPWCRHPOFT-UHFFFAOYSA-N -1 3 392.394 3.995 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)c(C)[nH]1 ZINC000822176324 599220717 /nfs/dbraw/zinc/22/07/17/599220717.db2.gz JJKRPPWCRHPOFT-UHFFFAOYSA-N -1 3 392.394 3.995 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822379107 599221876 /nfs/dbraw/zinc/22/18/76/599221876.db2.gz KJYUMNKKMCGXMY-UHFFFAOYSA-N -1 3 379.351 3.952 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822379107 599221878 /nfs/dbraw/zinc/22/18/78/599221878.db2.gz KJYUMNKKMCGXMY-UHFFFAOYSA-N -1 3 379.351 3.952 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737318139 599231834 /nfs/dbraw/zinc/23/18/34/599231834.db2.gz STLRJHPNSJGJJO-SDNWHVSQSA-N -1 3 375.476 3.625 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737318139 599231837 /nfs/dbraw/zinc/23/18/37/599231837.db2.gz STLRJHPNSJGJJO-SDNWHVSQSA-N -1 3 375.476 3.625 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736353719 599232611 /nfs/dbraw/zinc/23/26/11/599232611.db2.gz QJEKNZXWEWLCOF-KQDNUWKFSA-N -1 3 375.476 3.668 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736353719 599232612 /nfs/dbraw/zinc/23/26/12/599232612.db2.gz QJEKNZXWEWLCOF-KQDNUWKFSA-N -1 3 375.476 3.668 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736353717 599232738 /nfs/dbraw/zinc/23/27/38/599232738.db2.gz QJEKNZXWEWLCOF-FNDLEWIFSA-N -1 3 375.476 3.668 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736353717 599232741 /nfs/dbraw/zinc/23/27/41/599232741.db2.gz QJEKNZXWEWLCOF-FNDLEWIFSA-N -1 3 375.476 3.668 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000738261793 599227981 /nfs/dbraw/zinc/22/79/81/599227981.db2.gz UFOXVEDBGGVUHR-KRWDZBQOSA-N -1 3 382.855 3.673 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000738261793 599227983 /nfs/dbraw/zinc/22/79/83/599227983.db2.gz UFOXVEDBGGVUHR-KRWDZBQOSA-N -1 3 382.855 3.673 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000822761199 599229111 /nfs/dbraw/zinc/22/91/11/599229111.db2.gz BTDGQUKGEOCEDI-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000822761199 599229113 /nfs/dbraw/zinc/22/91/13/599229113.db2.gz BTDGQUKGEOCEDI-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Cc1c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cccc1-c1nnn[n-]1 ZINC000822077735 607268304 /nfs/dbraw/zinc/26/83/04/607268304.db2.gz WZAYKWJKSSGQHW-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cccc1-c1nn[n-]n1 ZINC000822077735 607268305 /nfs/dbraw/zinc/26/83/05/607268305.db2.gz WZAYKWJKSSGQHW-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821782803 607279577 /nfs/dbraw/zinc/27/95/77/607279577.db2.gz OFPBTUBDITYIOS-SFHVURJKSA-N -1 3 378.436 3.553 20 0 GHADHM COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821782803 607279578 /nfs/dbraw/zinc/27/95/78/607279578.db2.gz OFPBTUBDITYIOS-SFHVURJKSA-N -1 3 378.436 3.553 20 0 GHADHM Cc1c(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822089488 607283113 /nfs/dbraw/zinc/28/31/13/607283113.db2.gz CRIMIRBBFXWBMP-KRWDZBQOSA-N -1 3 390.451 3.570 20 0 GHADHM Cc1c(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822089488 607283114 /nfs/dbraw/zinc/28/31/14/607283114.db2.gz CRIMIRBBFXWBMP-KRWDZBQOSA-N -1 3 390.451 3.570 20 0 GHADHM Cc1csc(C2(NC(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCCC2)n1 ZINC000822409168 607282632 /nfs/dbraw/zinc/28/26/32/607282632.db2.gz OJIVSGLGMJRWJE-UHFFFAOYSA-N -1 3 383.481 3.531 20 0 GHADHM Cc1csc(C2(NC(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCCC2)n1 ZINC000822409168 607282633 /nfs/dbraw/zinc/28/26/33/607282633.db2.gz OJIVSGLGMJRWJE-UHFFFAOYSA-N -1 3 383.481 3.531 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821891295 607287924 /nfs/dbraw/zinc/28/79/24/607287924.db2.gz ZXBUVRHNPWEVEJ-SFHVURJKSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821891295 607287925 /nfs/dbraw/zinc/28/79/25/607287925.db2.gz ZXBUVRHNPWEVEJ-SFHVURJKSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccc([C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C(C)C)cc1 ZINC000821777810 607288838 /nfs/dbraw/zinc/28/88/38/607288838.db2.gz MQVQFFAYSBZVQM-GOSISDBHSA-N -1 3 380.452 3.703 20 0 GHADHM COc1ccc([C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C(C)C)cc1 ZINC000821777810 607288839 /nfs/dbraw/zinc/28/88/39/607288839.db2.gz MQVQFFAYSBZVQM-GOSISDBHSA-N -1 3 380.452 3.703 20 0 GHADHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)C2)sc1C ZINC000822435993 607284669 /nfs/dbraw/zinc/28/46/69/607284669.db2.gz DVYQVMCFEZYZPK-CQSZACIVSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)C2)sc1C ZINC000822435993 607284670 /nfs/dbraw/zinc/28/46/70/607284670.db2.gz DVYQVMCFEZYZPK-CQSZACIVSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084545 607285014 /nfs/dbraw/zinc/28/50/14/607285014.db2.gz MMNHOELQXNNKRV-KRWDZBQOSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084545 607285015 /nfs/dbraw/zinc/28/50/15/607285015.db2.gz MMNHOELQXNNKRV-KRWDZBQOSA-N -1 3 376.464 3.662 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820352374 599261924 /nfs/dbraw/zinc/26/19/24/599261924.db2.gz VBVSMMGLCHDFSE-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820352374 599261925 /nfs/dbraw/zinc/26/19/25/599261925.db2.gz VBVSMMGLCHDFSE-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C2CC2)cc1C ZINC000822236137 607293795 /nfs/dbraw/zinc/29/37/95/607293795.db2.gz LHJCNAJVAZCDQI-UHFFFAOYSA-N -1 3 376.464 3.988 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C2CC2)cc1C ZINC000822236137 607293796 /nfs/dbraw/zinc/29/37/96/607293796.db2.gz LHJCNAJVAZCDQI-UHFFFAOYSA-N -1 3 376.464 3.988 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822233741 607294195 /nfs/dbraw/zinc/29/41/95/607294195.db2.gz UKOVLHVGWJLLBA-IEBWSBKVSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822233741 607294196 /nfs/dbraw/zinc/29/41/96/607294196.db2.gz UKOVLHVGWJLLBA-IEBWSBKVSA-N -1 3 377.448 3.590 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1OC1CCCC1 ZINC000822935842 607294477 /nfs/dbraw/zinc/29/44/77/607294477.db2.gz OWWHQPAPFNYVOE-FMIVXFBMSA-N -1 3 393.422 3.979 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1OC1CCCC1 ZINC000822935842 607294478 /nfs/dbraw/zinc/29/44/78/607294478.db2.gz OWWHQPAPFNYVOE-FMIVXFBMSA-N -1 3 393.422 3.979 20 0 GHADHM FC(F)Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(OC(F)F)c1 ZINC000822732540 607313791 /nfs/dbraw/zinc/31/37/91/607313791.db2.gz JBHAWFIIAVGLIJ-UHFFFAOYSA-N -1 3 389.334 3.743 20 0 GHADHM FC(F)Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(OC(F)F)c1 ZINC000822732540 607313792 /nfs/dbraw/zinc/31/37/92/607313792.db2.gz JBHAWFIIAVGLIJ-UHFFFAOYSA-N -1 3 389.334 3.743 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821384380 607314019 /nfs/dbraw/zinc/31/40/19/607314019.db2.gz XDVANYZWVPTXHI-UHFFFAOYSA-N -1 3 379.873 3.609 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821384380 607314020 /nfs/dbraw/zinc/31/40/20/607314020.db2.gz XDVANYZWVPTXHI-UHFFFAOYSA-N -1 3 379.873 3.609 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820876202 599266189 /nfs/dbraw/zinc/26/61/89/599266189.db2.gz NHIGOZJVIDVHDA-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820876202 599266190 /nfs/dbraw/zinc/26/61/90/599266190.db2.gz NHIGOZJVIDVHDA-LBPRGKRZSA-N -1 3 384.415 3.505 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820903674 607316827 /nfs/dbraw/zinc/31/68/27/607316827.db2.gz WIHIPHDMMZPHRQ-UHFFFAOYSA-N -1 3 393.373 3.695 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820903674 607316828 /nfs/dbraw/zinc/31/68/28/607316828.db2.gz WIHIPHDMMZPHRQ-UHFFFAOYSA-N -1 3 393.373 3.695 20 0 GHADHM Cc1c(Cl)cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822034527 599268289 /nfs/dbraw/zinc/26/82/89/599268289.db2.gz GCYSNUZSWSRYPR-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM Cc1c(Cl)cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822034527 599268292 /nfs/dbraw/zinc/26/82/92/599268292.db2.gz GCYSNUZSWSRYPR-UHFFFAOYSA-N -1 3 395.225 3.943 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000821766089 599272968 /nfs/dbraw/zinc/27/29/68/599272968.db2.gz RAGDGDORXASQSR-UHFFFAOYSA-N -1 3 392.341 3.624 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000821766089 599272971 /nfs/dbraw/zinc/27/29/71/599272971.db2.gz RAGDGDORXASQSR-UHFFFAOYSA-N -1 3 392.341 3.624 20 0 GHADHM CC1(C)CCC(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000820590562 599276378 /nfs/dbraw/zinc/27/63/78/599276378.db2.gz WNVHCTMYHIPEAG-UHFFFAOYSA-N -1 3 380.399 3.558 20 0 GHADHM CC1(C)CCC(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000820590562 599276381 /nfs/dbraw/zinc/27/63/81/599276381.db2.gz WNVHCTMYHIPEAG-UHFFFAOYSA-N -1 3 380.399 3.558 20 0 GHADHM CO[C@H](C)COC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000821673594 607320165 /nfs/dbraw/zinc/32/01/65/607320165.db2.gz GHWBMGFRYZVZBK-LLVKDONJSA-N -1 3 388.811 3.504 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000822929424 607320505 /nfs/dbraw/zinc/32/05/05/607320505.db2.gz UGGFSRVOUJFHBQ-BLRBJFNZSA-N -1 3 395.413 3.912 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000822929424 607320506 /nfs/dbraw/zinc/32/05/06/607320506.db2.gz UGGFSRVOUJFHBQ-BLRBJFNZSA-N -1 3 395.413 3.912 20 0 GHADHM CC(C)c1ccc(-n2nnnc2S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922464 599286913 /nfs/dbraw/zinc/28/69/13/599286913.db2.gz JYTVDKIGZTWKSA-CYBMUJFWSA-N -1 3 392.492 3.819 20 0 GHADHM CC(C)c1ccc(-n2nnnc2S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922464 599286914 /nfs/dbraw/zinc/28/69/14/599286914.db2.gz JYTVDKIGZTWKSA-CYBMUJFWSA-N -1 3 392.492 3.819 20 0 GHADHM COc1ccccc1-c1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000737143434 599288189 /nfs/dbraw/zinc/28/81/89/599288189.db2.gz QVSBFPPLDFBVQA-LBPRGKRZSA-N -1 3 393.476 3.524 20 0 GHADHM COc1ccccc1-c1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000737143434 599288192 /nfs/dbraw/zinc/28/81/92/599288192.db2.gz QVSBFPPLDFBVQA-LBPRGKRZSA-N -1 3 393.476 3.524 20 0 GHADHM Cc1ccccc1-c1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000737416581 599288763 /nfs/dbraw/zinc/28/87/63/599288763.db2.gz CTBCHZNOHDNZRT-CYBMUJFWSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1ccccc1-c1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000737416581 599288765 /nfs/dbraw/zinc/28/87/65/599288765.db2.gz CTBCHZNOHDNZRT-CYBMUJFWSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1ccc([C@H]2CCCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)o1 ZINC000737331085 599288920 /nfs/dbraw/zinc/28/89/20/599288920.db2.gz OTNSWJPFBWVICU-MRXNPFEDSA-N -1 3 391.435 3.545 20 0 GHADHM Cc1ccc([C@H]2CCCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)o1 ZINC000737331085 599288922 /nfs/dbraw/zinc/28/89/22/599288922.db2.gz OTNSWJPFBWVICU-MRXNPFEDSA-N -1 3 391.435 3.545 20 0 GHADHM Cc1ccc(OCc2nnc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737366845 599290365 /nfs/dbraw/zinc/29/03/65/599290365.db2.gz XFCVHXOFYSVQMA-CYBMUJFWSA-N -1 3 394.460 3.990 20 0 GHADHM Cc1ccc(OCc2nnc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737366845 599290367 /nfs/dbraw/zinc/29/03/67/599290367.db2.gz XFCVHXOFYSVQMA-CYBMUJFWSA-N -1 3 394.460 3.990 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CSc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736278569 599291115 /nfs/dbraw/zinc/29/11/15/599291115.db2.gz HITAIFSVUYMEQU-MFKMUULPSA-N -1 3 397.529 3.881 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CSc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736278569 599291117 /nfs/dbraw/zinc/29/11/17/599291117.db2.gz HITAIFSVUYMEQU-MFKMUULPSA-N -1 3 397.529 3.881 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1Cc2ccccc2O1 ZINC000738183679 598231426 /nfs/dbraw/zinc/23/14/26/598231426.db2.gz MAXJMPNULOOMJC-HXUWFJFHSA-N -1 3 399.410 3.601 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1Cc2ccccc2O1 ZINC000738183679 598231428 /nfs/dbraw/zinc/23/14/28/598231428.db2.gz MAXJMPNULOOMJC-HXUWFJFHSA-N -1 3 399.410 3.601 20 0 GHADHM O=C(CC[C@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737824848 598232195 /nfs/dbraw/zinc/23/21/95/598232195.db2.gz IWZCVNFFOPQEQL-MRXNPFEDSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(CC[C@H]1CCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737824848 598232197 /nfs/dbraw/zinc/23/21/97/598232197.db2.gz IWZCVNFFOPQEQL-MRXNPFEDSA-N -1 3 379.420 3.557 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000737471042 598232514 /nfs/dbraw/zinc/23/25/14/598232514.db2.gz MIJUQCNDJIZFFI-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737471042 598232516 /nfs/dbraw/zinc/23/25/16/598232516.db2.gz MIJUQCNDJIZFFI-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM O=C(c1ccc2ccccc2c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738269109 598235468 /nfs/dbraw/zinc/23/54/68/598235468.db2.gz MIWAMJZOAOTFDZ-UHFFFAOYSA-N -1 3 399.454 3.704 20 0 GHADHM O=C(c1ccc2ccccc2c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738269109 598235469 /nfs/dbraw/zinc/23/54/69/598235469.db2.gz MIWAMJZOAOTFDZ-UHFFFAOYSA-N -1 3 399.454 3.704 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000737639885 598240782 /nfs/dbraw/zinc/24/07/82/598240782.db2.gz HHKJLMBOMFVJMH-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000735660997 598254891 /nfs/dbraw/zinc/25/48/91/598254891.db2.gz POQYIUIQZXVRTH-AWEZNQCLSA-N -1 3 397.458 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000735660997 598254892 /nfs/dbraw/zinc/25/48/92/598254892.db2.gz POQYIUIQZXVRTH-AWEZNQCLSA-N -1 3 397.458 3.584 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737190547 598262595 /nfs/dbraw/zinc/26/25/95/598262595.db2.gz NHEHJMFZVVXGRI-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737190547 598262597 /nfs/dbraw/zinc/26/25/97/598262597.db2.gz NHEHJMFZVVXGRI-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000737357230 598271072 /nfs/dbraw/zinc/27/10/72/598271072.db2.gz WWCZAAQLSBCWBJ-AWEZNQCLSA-N -1 3 382.493 3.615 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000737357230 598271073 /nfs/dbraw/zinc/27/10/73/598271073.db2.gz WWCZAAQLSBCWBJ-AWEZNQCLSA-N -1 3 382.493 3.615 20 0 GHADHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736830338 598275568 /nfs/dbraw/zinc/27/55/68/598275568.db2.gz VUXHLSKZLBPZND-UHFFFAOYSA-N -1 3 399.380 3.708 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735659927 598277718 /nfs/dbraw/zinc/27/77/18/598277718.db2.gz HEFAZHJSFIOILY-NEPJUHHUSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735659927 598277720 /nfs/dbraw/zinc/27/77/20/598277720.db2.gz HEFAZHJSFIOILY-NEPJUHHUSA-N -1 3 399.421 3.666 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736192925 598279463 /nfs/dbraw/zinc/27/94/63/598279463.db2.gz OVLYOXZYJJVJRT-SNVBAGLBSA-N -1 3 391.859 3.803 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736192925 598279465 /nfs/dbraw/zinc/27/94/65/598279465.db2.gz OVLYOXZYJJVJRT-SNVBAGLBSA-N -1 3 391.859 3.803 20 0 GHADHM CC(C)OCc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000735904420 598280652 /nfs/dbraw/zinc/28/06/52/598280652.db2.gz PAMAQCIEHUXDND-UHFFFAOYSA-N -1 3 397.483 3.992 20 0 GHADHM CC(C)OCc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000735904420 598280653 /nfs/dbraw/zinc/28/06/53/598280653.db2.gz PAMAQCIEHUXDND-UHFFFAOYSA-N -1 3 397.483 3.992 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735820836 598280667 /nfs/dbraw/zinc/28/06/67/598280667.db2.gz XLMUICIEWYCYGJ-UHFFFAOYSA-N -1 3 383.427 3.707 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735820836 598280669 /nfs/dbraw/zinc/28/06/69/598280669.db2.gz XLMUICIEWYCYGJ-UHFFFAOYSA-N -1 3 383.427 3.707 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736259594 598282626 /nfs/dbraw/zinc/28/26/26/598282626.db2.gz FMGYVHRLTURJJN-CZUORRHYSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736259594 598282627 /nfs/dbraw/zinc/28/26/27/598282627.db2.gz FMGYVHRLTURJJN-CZUORRHYSA-N -1 3 379.489 3.936 20 0 GHADHM Fc1ccc(-c2nn(Cc3ccccc3-c3nnn[n-]3)cc2Br)cc1 ZINC000737653464 598283720 /nfs/dbraw/zinc/28/37/20/598283720.db2.gz RUZUDNJPQCCZGY-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1ccc(-c2nn(Cc3ccccc3-c3nn[n-]n3)cc2Br)cc1 ZINC000737653464 598283722 /nfs/dbraw/zinc/28/37/22/598283722.db2.gz RUZUDNJPQCCZGY-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736654448 598285120 /nfs/dbraw/zinc/28/51/20/598285120.db2.gz UIPCXKKWQCJMCK-GOSISDBHSA-N -1 3 394.479 3.558 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736654448 598285121 /nfs/dbraw/zinc/28/51/21/598285121.db2.gz UIPCXKKWQCJMCK-GOSISDBHSA-N -1 3 394.479 3.558 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737853850 598290101 /nfs/dbraw/zinc/29/01/01/598290101.db2.gz ORGWCULTRXNGLE-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737853850 598290103 /nfs/dbraw/zinc/29/01/03/598290103.db2.gz ORGWCULTRXNGLE-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM O=C(Cc1ccccc1O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737973731 598290395 /nfs/dbraw/zinc/29/03/95/598290395.db2.gz GTZADMJCHGOIQT-UHFFFAOYSA-N -1 3 386.411 3.525 20 0 GHADHM O=C(Cc1ccccc1O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737973731 598290396 /nfs/dbraw/zinc/29/03/96/598290396.db2.gz GTZADMJCHGOIQT-UHFFFAOYSA-N -1 3 386.411 3.525 20 0 GHADHM Cc1ccc2c(CC(=O)N(CC(C)C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000737372655 598296157 /nfs/dbraw/zinc/29/61/57/598296157.db2.gz HJWYHLVPLSJKNS-UHFFFAOYSA-N -1 3 388.475 3.888 20 0 GHADHM Cc1ccc2c(CC(=O)N(CC(C)C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000737372655 598296158 /nfs/dbraw/zinc/29/61/58/598296158.db2.gz HJWYHLVPLSJKNS-UHFFFAOYSA-N -1 3 388.475 3.888 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736324134 598297121 /nfs/dbraw/zinc/29/71/21/598297121.db2.gz BVLCKCDSNDBZHT-LLNWESEBSA-N -1 3 377.448 3.720 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736324134 598297123 /nfs/dbraw/zinc/29/71/23/598297123.db2.gz BVLCKCDSNDBZHT-LLNWESEBSA-N -1 3 377.448 3.720 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737464093 598302358 /nfs/dbraw/zinc/30/23/58/598302358.db2.gz DTCOIWMRFVYNAZ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737464093 598302360 /nfs/dbraw/zinc/30/23/60/598302360.db2.gz DTCOIWMRFVYNAZ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737954199 598306800 /nfs/dbraw/zinc/30/68/00/598306800.db2.gz ISJGDRDMIYZHED-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737954199 598306801 /nfs/dbraw/zinc/30/68/01/598306801.db2.gz ISJGDRDMIYZHED-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM CN(C(=O)CSc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738605 598309989 /nfs/dbraw/zinc/30/99/89/598309989.db2.gz BQLSCHSYSGMVDQ-UHFFFAOYSA-N -1 3 393.447 3.914 20 0 GHADHM CN(C(=O)CSc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738605 598309991 /nfs/dbraw/zinc/30/99/91/598309991.db2.gz BQLSCHSYSGMVDQ-UHFFFAOYSA-N -1 3 393.447 3.914 20 0 GHADHM Cc1ccc(SCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737369461 598310804 /nfs/dbraw/zinc/31/08/04/598310804.db2.gz UNUIEZXTNWUMKN-UHFFFAOYSA-N -1 3 385.468 3.768 20 0 GHADHM Cc1ccc(SCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737369461 598310806 /nfs/dbraw/zinc/31/08/06/598310806.db2.gz UNUIEZXTNWUMKN-UHFFFAOYSA-N -1 3 385.468 3.768 20 0 GHADHM CN(C(=O)CSCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736736714 598311094 /nfs/dbraw/zinc/31/10/94/598311094.db2.gz HPCOPGIDFNSJFC-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM CN(C(=O)CSCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736736714 598311096 /nfs/dbraw/zinc/31/10/96/598311096.db2.gz HPCOPGIDFNSJFC-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736187450 598314347 /nfs/dbraw/zinc/31/43/47/598314347.db2.gz AVSZGUUUHZWISK-CHWSQXEVSA-N -1 3 397.479 3.605 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736187450 598314349 /nfs/dbraw/zinc/31/43/49/598314349.db2.gz AVSZGUUUHZWISK-CHWSQXEVSA-N -1 3 397.479 3.605 20 0 GHADHM CCCCCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736445607 598314497 /nfs/dbraw/zinc/31/44/97/598314497.db2.gz LDSNNMNECPFFEN-CYBMUJFWSA-N -1 3 379.505 3.714 20 0 GHADHM CCCCCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736445607 598314499 /nfs/dbraw/zinc/31/44/99/598314499.db2.gz LDSNNMNECPFFEN-CYBMUJFWSA-N -1 3 379.505 3.714 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736324936 598321557 /nfs/dbraw/zinc/32/15/57/598321557.db2.gz DCPDMOUYHHOHRB-QYMJWVLRSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736324936 598321559 /nfs/dbraw/zinc/32/15/59/598321559.db2.gz DCPDMOUYHHOHRB-QYMJWVLRSA-N -1 3 378.432 3.801 20 0 GHADHM C[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000736026367 598321877 /nfs/dbraw/zinc/32/18/77/598321877.db2.gz RVJSIJNKOASFPQ-SNVBAGLBSA-N -1 3 390.875 3.749 20 0 GHADHM C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000736026367 598321879 /nfs/dbraw/zinc/32/18/79/598321879.db2.gz RVJSIJNKOASFPQ-SNVBAGLBSA-N -1 3 390.875 3.749 20 0 GHADHM CC(C)N(Cc1ccco1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735876153 598322921 /nfs/dbraw/zinc/32/29/21/598322921.db2.gz VSUZZKFUFDPGJN-UHFFFAOYSA-N -1 3 376.873 3.721 20 0 GHADHM CC(C)N(Cc1ccco1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735876153 598322923 /nfs/dbraw/zinc/32/29/23/598322923.db2.gz VSUZZKFUFDPGJN-UHFFFAOYSA-N -1 3 376.873 3.721 20 0 GHADHM CCN(CCc1cccs1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736541463 598323965 /nfs/dbraw/zinc/32/39/65/598323965.db2.gz HDZYPFDPKDGOEE-UHFFFAOYSA-N -1 3 392.941 3.843 20 0 GHADHM CCN(CCc1cccs1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736541463 598323966 /nfs/dbraw/zinc/32/39/66/598323966.db2.gz HDZYPFDPKDGOEE-UHFFFAOYSA-N -1 3 392.941 3.843 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000737296524 598324200 /nfs/dbraw/zinc/32/42/00/598324200.db2.gz JWQWQHGWHXHTCV-UHFFFAOYSA-N -1 3 392.410 3.681 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000737296524 598324202 /nfs/dbraw/zinc/32/42/02/598324202.db2.gz JWQWQHGWHXHTCV-UHFFFAOYSA-N -1 3 392.410 3.681 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cccc(F)c1F ZINC000738175614 598328082 /nfs/dbraw/zinc/32/80/82/598328082.db2.gz PXCRVJOBLSCMTP-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccc(F)c1F ZINC000738175614 598328084 /nfs/dbraw/zinc/32/80/84/598328084.db2.gz PXCRVJOBLSCMTP-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000737246978 598354939 /nfs/dbraw/zinc/35/49/39/598354939.db2.gz WTHHZLYWVASMSX-KGLIPLIRSA-N -1 3 385.269 3.609 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000737246978 598354940 /nfs/dbraw/zinc/35/49/40/598354940.db2.gz WTHHZLYWVASMSX-KGLIPLIRSA-N -1 3 385.269 3.609 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736391747 598358915 /nfs/dbraw/zinc/35/89/15/598358915.db2.gz NHSXXWXKGIPPEK-QGZVFWFLSA-N -1 3 383.427 3.925 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736391747 598358917 /nfs/dbraw/zinc/35/89/17/598358917.db2.gz NHSXXWXKGIPPEK-QGZVFWFLSA-N -1 3 383.427 3.925 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736184794 598359723 /nfs/dbraw/zinc/35/97/23/598359723.db2.gz NSLHYSDFTHQNKU-QWHCGFSZSA-N -1 3 393.472 3.726 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736184794 598359725 /nfs/dbraw/zinc/35/97/25/598359725.db2.gz NSLHYSDFTHQNKU-QWHCGFSZSA-N -1 3 393.472 3.726 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000737026638 598365049 /nfs/dbraw/zinc/36/50/49/598365049.db2.gz ZAKKFUDLOCMNGN-UHFFFAOYSA-N -1 3 378.432 3.601 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000737026638 598365051 /nfs/dbraw/zinc/36/50/51/598365051.db2.gz ZAKKFUDLOCMNGN-UHFFFAOYSA-N -1 3 378.432 3.601 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113502 598371109 /nfs/dbraw/zinc/37/11/09/598371109.db2.gz OTVKAWJASSOZQP-SJLPKXTDSA-N -1 3 390.491 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113502 598371111 /nfs/dbraw/zinc/37/11/11/598371111.db2.gz OTVKAWJASSOZQP-SJLPKXTDSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737548119 598371467 /nfs/dbraw/zinc/37/14/67/598371467.db2.gz MXLPSGFUEDPRIB-UHFFFAOYSA-N -1 3 395.444 3.568 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737548119 598371469 /nfs/dbraw/zinc/37/14/69/598371469.db2.gz MXLPSGFUEDPRIB-UHFFFAOYSA-N -1 3 395.444 3.568 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccccc2C)CC1 ZINC000737291396 598413732 /nfs/dbraw/zinc/41/37/32/598413732.db2.gz KHWKWCGIRAUWSK-UHFFFAOYSA-N -1 3 376.464 3.895 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccccc2C)CC1 ZINC000737291396 598413733 /nfs/dbraw/zinc/41/37/33/598413733.db2.gz KHWKWCGIRAUWSK-UHFFFAOYSA-N -1 3 376.464 3.895 20 0 GHADHM O=C(COc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000737925346 598420098 /nfs/dbraw/zinc/42/00/98/598420098.db2.gz QTWFPPLMHMRFTD-UHFFFAOYSA-N -1 3 386.411 3.707 20 0 GHADHM O=C(COc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000737925346 598420100 /nfs/dbraw/zinc/42/01/00/598420100.db2.gz QTWFPPLMHMRFTD-UHFFFAOYSA-N -1 3 386.411 3.707 20 0 GHADHM c1ccc([C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccc3c(c2)CCCO3)cc1 ZINC000738429033 598426773 /nfs/dbraw/zinc/42/67/73/598426773.db2.gz RNGYUKYFOXJPTE-HXUWFJFHSA-N -1 3 384.443 3.788 20 0 GHADHM c1ccc([C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccc3c(c2)CCCO3)cc1 ZINC000738429033 598426775 /nfs/dbraw/zinc/42/67/75/598426775.db2.gz RNGYUKYFOXJPTE-HXUWFJFHSA-N -1 3 384.443 3.788 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000735875333 598427801 /nfs/dbraw/zinc/42/78/01/598427801.db2.gz SWJGWQCAKXYRAR-GOSISDBHSA-N -1 3 396.520 4.000 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000735875333 598427802 /nfs/dbraw/zinc/42/78/02/598427802.db2.gz SWJGWQCAKXYRAR-GOSISDBHSA-N -1 3 396.520 4.000 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736110241 598432782 /nfs/dbraw/zinc/43/27/82/598432782.db2.gz GRGOOBLMPXQTOO-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736110241 598432784 /nfs/dbraw/zinc/43/27/84/598432784.db2.gz GRGOOBLMPXQTOO-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM O=C(N[C@@H](CCCc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737994401 598440290 /nfs/dbraw/zinc/44/02/90/598440290.db2.gz AKECFIULGLYNAM-FQEVSTJZSA-N -1 3 398.470 3.756 20 0 GHADHM O=C(N[C@@H](CCCc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737994401 598440291 /nfs/dbraw/zinc/44/02/91/598440291.db2.gz AKECFIULGLYNAM-FQEVSTJZSA-N -1 3 398.470 3.756 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737088476 598442729 /nfs/dbraw/zinc/44/27/29/598442729.db2.gz MLUINOZNIDBCOF-INIZCTEOSA-N -1 3 393.491 3.856 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737088476 598442730 /nfs/dbraw/zinc/44/27/30/598442730.db2.gz MLUINOZNIDBCOF-INIZCTEOSA-N -1 3 393.491 3.856 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736819635 598443030 /nfs/dbraw/zinc/44/30/30/598443030.db2.gz GGZJVCYQDWRIIA-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000736819635 598443032 /nfs/dbraw/zinc/44/30/32/598443032.db2.gz GGZJVCYQDWRIIA-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM C[C@H](Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736137661 598462515 /nfs/dbraw/zinc/46/25/15/598462515.db2.gz LSIQASMAQBQXJO-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@H](Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736137661 598462517 /nfs/dbraw/zinc/46/25/17/598462517.db2.gz LSIQASMAQBQXJO-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116212 598469277 /nfs/dbraw/zinc/46/92/77/598469277.db2.gz DWEJFTVHCHMSBU-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116212 598469279 /nfs/dbraw/zinc/46/92/79/598469279.db2.gz DWEJFTVHCHMSBU-CYBMUJFWSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](OC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736229056 598472492 /nfs/dbraw/zinc/47/24/92/598472492.db2.gz PWVWXZFXNREELG-KFWWJZLASA-N -1 3 399.495 3.589 20 0 GHADHM C[C@@H](OC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736229056 598472494 /nfs/dbraw/zinc/47/24/94/598472494.db2.gz PWVWXZFXNREELG-KFWWJZLASA-N -1 3 399.495 3.589 20 0 GHADHM C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162102 598482980 /nfs/dbraw/zinc/48/29/80/598482980.db2.gz HGADWAUSPHJXEH-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162102 598482981 /nfs/dbraw/zinc/48/29/81/598482981.db2.gz HGADWAUSPHJXEH-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157286 598487922 /nfs/dbraw/zinc/48/79/22/598487922.db2.gz JTWFHQNKORRZBX-OAHLLOKOSA-N -1 3 392.463 3.560 20 0 GHADHM C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157286 598487924 /nfs/dbraw/zinc/48/79/24/598487924.db2.gz JTWFHQNKORRZBX-OAHLLOKOSA-N -1 3 392.463 3.560 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C ZINC000737309357 598490483 /nfs/dbraw/zinc/49/04/83/598490483.db2.gz SQSGHVDJKVXHSD-UHFFFAOYSA-N -1 3 394.479 3.642 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C ZINC000737309357 598490484 /nfs/dbraw/zinc/49/04/84/598490484.db2.gz SQSGHVDJKVXHSD-UHFFFAOYSA-N -1 3 394.479 3.642 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000735655425 598490501 /nfs/dbraw/zinc/49/05/01/598490501.db2.gz OLCIEKPZHLBVSA-ZHACJKMWSA-N -1 3 387.447 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000735655425 598490503 /nfs/dbraw/zinc/49/05/03/598490503.db2.gz OLCIEKPZHLBVSA-ZHACJKMWSA-N -1 3 387.447 3.623 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736193906 598491313 /nfs/dbraw/zinc/49/13/13/598491313.db2.gz UKFUVRHJSQJRGL-ZDUSSCGKSA-N -1 3 384.509 3.684 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736193906 598491314 /nfs/dbraw/zinc/49/13/14/598491314.db2.gz UKFUVRHJSQJRGL-ZDUSSCGKSA-N -1 3 384.509 3.684 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736654871 598492505 /nfs/dbraw/zinc/49/25/05/598492505.db2.gz LJNZJCYQQVIZFE-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736654871 598492506 /nfs/dbraw/zinc/49/25/06/598492506.db2.gz LJNZJCYQQVIZFE-OAHLLOKOSA-N -1 3 396.447 3.729 20 0 GHADHM COc1cc(CN(C)c2cccc(Cl)c2-c2nnn[n-]2)ccc1OC(F)F ZINC000737046040 598493367 /nfs/dbraw/zinc/49/33/67/598493367.db2.gz ZFGCQRNUHZSCHI-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM COc1cc(CN(C)c2cccc(Cl)c2-c2nn[n-]n2)ccc1OC(F)F ZINC000737046040 598493368 /nfs/dbraw/zinc/49/33/68/598493368.db2.gz ZFGCQRNUHZSCHI-UHFFFAOYSA-N -1 3 395.797 3.767 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738124293 598495362 /nfs/dbraw/zinc/49/53/62/598495362.db2.gz NZKIIRXBDGHWEN-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738124293 598495365 /nfs/dbraw/zinc/49/53/65/598495365.db2.gz NZKIIRXBDGHWEN-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1sccc1-c1nnn[n-]1 ZINC000738124331 598495522 /nfs/dbraw/zinc/49/55/22/598495522.db2.gz OULNIVHGSORMPE-UHFFFAOYSA-N -1 3 395.419 3.790 20 0 GHADHM O=C(NCc1ccccc1Oc1cccc(F)c1)c1sccc1-c1nn[n-]n1 ZINC000738124331 598495523 /nfs/dbraw/zinc/49/55/23/598495523.db2.gz OULNIVHGSORMPE-UHFFFAOYSA-N -1 3 395.419 3.790 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000735661541 598526847 /nfs/dbraw/zinc/52/68/47/598526847.db2.gz UHFODJCVTNHMIH-UHFFFAOYSA-N -1 3 385.516 4.000 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000735661541 598526849 /nfs/dbraw/zinc/52/68/49/598526849.db2.gz UHFODJCVTNHMIH-UHFFFAOYSA-N -1 3 385.516 4.000 20 0 GHADHM C[C@H](NC(=O)NCCCCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119534 598527116 /nfs/dbraw/zinc/52/71/16/598527116.db2.gz SGZBDIRLYUCMCD-INIZCTEOSA-N -1 3 378.480 3.640 20 0 GHADHM C[C@H](NC(=O)NCCCCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119534 598527117 /nfs/dbraw/zinc/52/71/17/598527117.db2.gz SGZBDIRLYUCMCD-INIZCTEOSA-N -1 3 378.480 3.640 20 0 GHADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736239817 598532387 /nfs/dbraw/zinc/53/23/87/598532387.db2.gz UHGQHZCMNOKLPN-BMIGLBTASA-N -1 3 384.827 3.842 20 0 GHADHM C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736239817 598532389 /nfs/dbraw/zinc/53/23/89/598532389.db2.gz UHGQHZCMNOKLPN-BMIGLBTASA-N -1 3 384.827 3.842 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737149056 598533366 /nfs/dbraw/zinc/53/33/66/598533366.db2.gz VXRVBJRFDOKTMP-MRXNPFEDSA-N -1 3 398.854 3.898 20 0 GHADHM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737149056 598533368 /nfs/dbraw/zinc/53/33/68/598533368.db2.gz VXRVBJRFDOKTMP-MRXNPFEDSA-N -1 3 398.854 3.898 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736813345 598533453 /nfs/dbraw/zinc/53/34/53/598533453.db2.gz JMODKEUGLFEDOZ-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000736813345 598533455 /nfs/dbraw/zinc/53/34/55/598533455.db2.gz JMODKEUGLFEDOZ-RTWAWAEBSA-N -1 3 383.455 3.782 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736252997 598538410 /nfs/dbraw/zinc/53/84/10/598538410.db2.gz SKBKLTJDUUQQBI-HOCLYGCPSA-N -1 3 395.463 3.689 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000737322744 598539746 /nfs/dbraw/zinc/53/97/46/598539746.db2.gz MUBYEBWHDYUYON-LBPRGKRZSA-N -1 3 381.505 3.851 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000737322744 598539748 /nfs/dbraw/zinc/53/97/48/598539748.db2.gz MUBYEBWHDYUYON-LBPRGKRZSA-N -1 3 381.505 3.851 20 0 GHADHM COCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736979302 598540570 /nfs/dbraw/zinc/54/05/70/598540570.db2.gz QRBOAQVFBCINOQ-UHFFFAOYSA-N -1 3 395.463 3.509 20 0 GHADHM COCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736979302 598540573 /nfs/dbraw/zinc/54/05/73/598540573.db2.gz QRBOAQVFBCINOQ-UHFFFAOYSA-N -1 3 395.463 3.509 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000735446742 598542764 /nfs/dbraw/zinc/54/27/64/598542764.db2.gz DLIUWHRGUMPSGY-KAMYIIQDSA-N -1 3 375.432 3.741 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000735446742 598542766 /nfs/dbraw/zinc/54/27/66/598542766.db2.gz DLIUWHRGUMPSGY-KAMYIIQDSA-N -1 3 375.432 3.741 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)c1ccco1 ZINC000738172454 598543065 /nfs/dbraw/zinc/54/30/65/598543065.db2.gz MBTURMYWJANQFY-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)c1ccco1 ZINC000738172454 598543066 /nfs/dbraw/zinc/54/30/66/598543066.db2.gz MBTURMYWJANQFY-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1CCCc2ccccc21 ZINC000738146898 598545831 /nfs/dbraw/zinc/54/58/31/598545831.db2.gz SUBJIWNSAOWTSR-CQSZACIVSA-N -1 3 385.374 3.527 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1CCCc2ccccc21 ZINC000738146898 598545832 /nfs/dbraw/zinc/54/58/32/598545832.db2.gz SUBJIWNSAOWTSR-CQSZACIVSA-N -1 3 385.374 3.527 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c2ccccc2n1 ZINC000737236572 598546518 /nfs/dbraw/zinc/54/65/18/598546518.db2.gz NVVDMBNLXJKPIM-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c2ccccc2n1 ZINC000737236572 598546520 /nfs/dbraw/zinc/54/65/20/598546520.db2.gz NVVDMBNLXJKPIM-UHFFFAOYSA-N -1 3 396.357 3.577 20 0 GHADHM Cc1ccccc1SCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737431939 598547055 /nfs/dbraw/zinc/54/70/55/598547055.db2.gz NAGRDXABAPZRMA-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM Cc1ccccc1SCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737431939 598547057 /nfs/dbraw/zinc/54/70/57/598547057.db2.gz NAGRDXABAPZRMA-UHFFFAOYSA-N -1 3 391.403 3.507 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H](C)CSC)cc1 ZINC000737033190 598553444 /nfs/dbraw/zinc/55/34/44/598553444.db2.gz UVMPKGLSKYSCCJ-GFCCVEGCSA-N -1 3 399.476 3.605 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H](C)CSC)cc1 ZINC000737033190 598553446 /nfs/dbraw/zinc/55/34/46/598553446.db2.gz UVMPKGLSKYSCCJ-GFCCVEGCSA-N -1 3 399.476 3.605 20 0 GHADHM CCCc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n[nH]1 ZINC000736497912 598556810 /nfs/dbraw/zinc/55/68/10/598556810.db2.gz VFVHUNDCWQLNIU-UHFFFAOYSA-N -1 3 389.419 3.587 20 0 GHADHM CCCc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n[nH]1 ZINC000736497912 598556811 /nfs/dbraw/zinc/55/68/11/598556811.db2.gz VFVHUNDCWQLNIU-UHFFFAOYSA-N -1 3 389.419 3.587 20 0 GHADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236180 598558564 /nfs/dbraw/zinc/55/85/64/598558564.db2.gz ILSOEGIXNFAYMF-BDJLRTHQSA-N -1 3 398.854 3.629 20 0 GHADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236180 598558566 /nfs/dbraw/zinc/55/85/66/598558566.db2.gz ILSOEGIXNFAYMF-BDJLRTHQSA-N -1 3 398.854 3.629 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736252949 598561496 /nfs/dbraw/zinc/56/14/96/598561496.db2.gz SHWHIASPRORTKF-JQWIXIFHSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736252949 598561498 /nfs/dbraw/zinc/56/14/98/598561498.db2.gz SHWHIASPRORTKF-JQWIXIFHSA-N -1 3 380.399 3.511 20 0 GHADHM CCC(CC)CN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736338611 598562199 /nfs/dbraw/zinc/56/21/99/598562199.db2.gz YWPGQAJICNKJIP-UHFFFAOYSA-N -1 3 382.415 3.758 20 0 GHADHM CCC(CC)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736338611 598562200 /nfs/dbraw/zinc/56/22/00/598562200.db2.gz YWPGQAJICNKJIP-UHFFFAOYSA-N -1 3 382.415 3.758 20 0 GHADHM O=C(NCc1ccccc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738117024 598562539 /nfs/dbraw/zinc/56/25/39/598562539.db2.gz OKRFUZPAFHGMQU-UHFFFAOYSA-N -1 3 386.415 3.981 20 0 GHADHM O=C(NCc1ccccc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738117024 598562541 /nfs/dbraw/zinc/56/25/41/598562541.db2.gz OKRFUZPAFHGMQU-UHFFFAOYSA-N -1 3 386.415 3.981 20 0 GHADHM Fc1cccc(CCCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737664128 598586886 /nfs/dbraw/zinc/58/68/86/598586886.db2.gz BLZHFWGVANYAFA-UHFFFAOYSA-N -1 3 390.875 3.578 20 0 GHADHM Fc1cccc(CCCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737664128 598586889 /nfs/dbraw/zinc/58/68/89/598586889.db2.gz BLZHFWGVANYAFA-UHFFFAOYSA-N -1 3 390.875 3.578 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000736635511 598593003 /nfs/dbraw/zinc/59/30/03/598593003.db2.gz VTMJHUVEATXBCP-UHFFFAOYSA-N -1 3 391.431 3.601 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000736635511 598593005 /nfs/dbraw/zinc/59/30/05/598593005.db2.gz VTMJHUVEATXBCP-UHFFFAOYSA-N -1 3 391.431 3.601 20 0 GHADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)Sc1ccc(Br)cc1 ZINC000736025305 598593423 /nfs/dbraw/zinc/59/34/23/598593423.db2.gz FYBSJKKOAWDWLF-JTQLQIEISA-N -1 3 391.298 3.617 20 0 GHADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)Sc1ccc(Br)cc1 ZINC000736025305 598593425 /nfs/dbraw/zinc/59/34/25/598593425.db2.gz FYBSJKKOAWDWLF-JTQLQIEISA-N -1 3 391.298 3.617 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccnc1Nc1ccccc1F ZINC000738165179 598598430 /nfs/dbraw/zinc/59/84/30/598598430.db2.gz FFKMETWVLYJQCL-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccnc1Nc1ccccc1F ZINC000738165179 598598432 /nfs/dbraw/zinc/59/84/32/598598432.db2.gz FFKMETWVLYJQCL-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738216432 598608085 /nfs/dbraw/zinc/60/80/85/598608085.db2.gz ZLOFISNRLQFWHX-GOSISDBHSA-N -1 3 381.411 3.879 20 0 GHADHM O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738216432 598608086 /nfs/dbraw/zinc/60/80/86/598608086.db2.gz ZLOFISNRLQFWHX-GOSISDBHSA-N -1 3 381.411 3.879 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737594666 598618344 /nfs/dbraw/zinc/61/83/44/598618344.db2.gz VNBVLTMIHRJIEH-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737594666 598618345 /nfs/dbraw/zinc/61/83/45/598618345.db2.gz VNBVLTMIHRJIEH-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000736118065 598633435 /nfs/dbraw/zinc/63/34/35/598633435.db2.gz RYETVKUPCJZUFH-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000736118065 598633437 /nfs/dbraw/zinc/63/34/37/598633437.db2.gz RYETVKUPCJZUFH-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1)C1CCC1 ZINC000738183233 598639360 /nfs/dbraw/zinc/63/93/60/598639360.db2.gz KDMCNZQMXDHQMA-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1)C1CCC1 ZINC000738183233 598639361 /nfs/dbraw/zinc/63/93/61/598639361.db2.gz KDMCNZQMXDHQMA-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737852072 598642010 /nfs/dbraw/zinc/64/20/10/598642010.db2.gz BITGCOIKNGKPCY-OAQYLSRUSA-N -1 3 385.427 3.527 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737852072 598642011 /nfs/dbraw/zinc/64/20/11/598642011.db2.gz BITGCOIKNGKPCY-OAQYLSRUSA-N -1 3 385.427 3.527 20 0 GHADHM Cc1ccc(C)c(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737325347 598645163 /nfs/dbraw/zinc/64/51/63/598645163.db2.gz DOZOVMRXMBFBHA-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM Cc1ccc(C)c(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737325347 598645165 /nfs/dbraw/zinc/64/51/65/598645165.db2.gz DOZOVMRXMBFBHA-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736357207 598646154 /nfs/dbraw/zinc/64/61/54/598646154.db2.gz PUTAKMAGJJFPJH-HXUWFJFHSA-N -1 3 393.491 3.992 20 0 GHADHM CC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736357207 598646156 /nfs/dbraw/zinc/64/61/56/598646156.db2.gz PUTAKMAGJJFPJH-HXUWFJFHSA-N -1 3 393.491 3.992 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCSc2ccccc21 ZINC000737831767 598647066 /nfs/dbraw/zinc/64/70/66/598647066.db2.gz DMUWRWRIWUOBMB-UHFFFAOYSA-N -1 3 395.488 3.555 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCSc2ccccc21 ZINC000737831767 598647067 /nfs/dbraw/zinc/64/70/67/598647067.db2.gz DMUWRWRIWUOBMB-UHFFFAOYSA-N -1 3 395.488 3.555 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1F ZINC000737831802 598647477 /nfs/dbraw/zinc/64/74/77/598647477.db2.gz DZHPWLQTQQTGAG-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1F ZINC000737831802 598647478 /nfs/dbraw/zinc/64/74/78/598647478.db2.gz DZHPWLQTQQTGAG-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM Cc1cnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737446931 598647826 /nfs/dbraw/zinc/64/78/26/598647826.db2.gz ZFMGSASBYOZIRI-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736274396 598649700 /nfs/dbraw/zinc/64/97/00/598649700.db2.gz UPQQXKYLDZKAIA-KDOFPFPSSA-N -1 3 392.463 3.705 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736274396 598649702 /nfs/dbraw/zinc/64/97/02/598649702.db2.gz UPQQXKYLDZKAIA-KDOFPFPSSA-N -1 3 392.463 3.705 20 0 GHADHM O=C(c1ccc(-c2ccccc2)[nH]1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738253342 598650705 /nfs/dbraw/zinc/65/07/05/598650705.db2.gz DHWAVLMQTQDMTF-UHFFFAOYSA-N -1 3 384.443 3.667 20 0 GHADHM O=C(c1ccc(-c2ccccc2)[nH]1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738253342 598650707 /nfs/dbraw/zinc/65/07/07/598650707.db2.gz DHWAVLMQTQDMTF-UHFFFAOYSA-N -1 3 384.443 3.667 20 0 GHADHM CCCN(CC(C)C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736469826 598651767 /nfs/dbraw/zinc/65/17/67/598651767.db2.gz MMMMFINAGZRUFB-UHFFFAOYSA-N -1 3 380.452 3.562 20 0 GHADHM CCCN(CC(C)C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736469826 598651768 /nfs/dbraw/zinc/65/17/68/598651768.db2.gz MMMMFINAGZRUFB-UHFFFAOYSA-N -1 3 380.452 3.562 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096588 598651931 /nfs/dbraw/zinc/65/19/31/598651931.db2.gz ACSOSAIJFYQEIR-WBMJQRKESA-N -1 3 389.381 3.780 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096588 598651933 /nfs/dbraw/zinc/65/19/33/598651933.db2.gz ACSOSAIJFYQEIR-WBMJQRKESA-N -1 3 389.381 3.780 20 0 GHADHM CC(C)COc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735845597 598654415 /nfs/dbraw/zinc/65/44/15/598654415.db2.gz YTOGSFGDWVERFG-UHFFFAOYSA-N -1 3 398.488 3.737 20 0 GHADHM CC(C)COc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735845597 598654416 /nfs/dbraw/zinc/65/44/16/598654416.db2.gz YTOGSFGDWVERFG-UHFFFAOYSA-N -1 3 398.488 3.737 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737209064 598655815 /nfs/dbraw/zinc/65/58/15/598655815.db2.gz JDCROBHMQQFLJY-ZDUSSCGKSA-N -1 3 393.472 3.891 20 0 GHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737209064 598655817 /nfs/dbraw/zinc/65/58/17/598655817.db2.gz JDCROBHMQQFLJY-ZDUSSCGKSA-N -1 3 393.472 3.891 20 0 GHADHM Cc1nccn1-c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737503398 598657935 /nfs/dbraw/zinc/65/79/35/598657935.db2.gz VGRAPLVHSBGUQX-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1nccn1-c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737503398 598657937 /nfs/dbraw/zinc/65/79/37/598657937.db2.gz VGRAPLVHSBGUQX-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736732600 598661348 /nfs/dbraw/zinc/66/13/48/598661348.db2.gz MSLGXKGGKRZXJK-KRWDZBQOSA-N -1 3 389.381 3.561 20 0 GHADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736732600 598661350 /nfs/dbraw/zinc/66/13/50/598661350.db2.gz MSLGXKGGKRZXJK-KRWDZBQOSA-N -1 3 389.381 3.561 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737317420 598662376 /nfs/dbraw/zinc/66/23/76/598662376.db2.gz LARLJCHZKIRGII-UHFFFAOYSA-N -1 3 395.532 3.502 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737317420 598662377 /nfs/dbraw/zinc/66/23/77/598662377.db2.gz LARLJCHZKIRGII-UHFFFAOYSA-N -1 3 395.532 3.502 20 0 GHADHM O=C(NC[C@@H]1Cc2ccccc21)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738053718 598667442 /nfs/dbraw/zinc/66/74/42/598667442.db2.gz YUXBJFKAGVSNJL-SFHVURJKSA-N -1 3 397.438 3.729 20 0 GHADHM O=C(NC[C@@H]1Cc2ccccc21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738053718 598667444 /nfs/dbraw/zinc/66/74/44/598667444.db2.gz YUXBJFKAGVSNJL-SFHVURJKSA-N -1 3 397.438 3.729 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](c2ccco2)C1 ZINC000737658620 598676832 /nfs/dbraw/zinc/67/68/32/598676832.db2.gz DZVZRAOIZNUZCQ-SNVBAGLBSA-N -1 3 384.802 3.794 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](c2ccco2)C1 ZINC000737658620 598676833 /nfs/dbraw/zinc/67/68/33/598676833.db2.gz DZVZRAOIZNUZCQ-SNVBAGLBSA-N -1 3 384.802 3.794 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](c2ccco2)C1 ZINC000737658619 598677385 /nfs/dbraw/zinc/67/73/85/598677385.db2.gz DZVZRAOIZNUZCQ-JTQLQIEISA-N -1 3 384.802 3.794 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](c2ccco2)C1 ZINC000737658619 598677388 /nfs/dbraw/zinc/67/73/88/598677388.db2.gz DZVZRAOIZNUZCQ-JTQLQIEISA-N -1 3 384.802 3.794 20 0 GHADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)Cc1cc(Br)ccc1F ZINC000736813253 598684332 /nfs/dbraw/zinc/68/43/32/598684332.db2.gz AGTSWXITNGWEPB-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736192330 598695871 /nfs/dbraw/zinc/69/58/71/598695871.db2.gz YEBCZYKVTGQMGT-QWHCGFSZSA-N -1 3 385.468 3.505 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736192330 598695872 /nfs/dbraw/zinc/69/58/72/598695872.db2.gz YEBCZYKVTGQMGT-QWHCGFSZSA-N -1 3 385.468 3.505 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1cccc(Cl)c1 ZINC000737937066 598698257 /nfs/dbraw/zinc/69/82/57/598698257.db2.gz ZKFLOPMEBKNOTG-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1cccc(Cl)c1 ZINC000737937066 598698258 /nfs/dbraw/zinc/69/82/58/598698258.db2.gz ZKFLOPMEBKNOTG-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737837188 598703755 /nfs/dbraw/zinc/70/37/55/598703755.db2.gz RJAATFCXKKDGDA-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737837188 598703757 /nfs/dbraw/zinc/70/37/57/598703757.db2.gz RJAATFCXKKDGDA-UHFFFAOYSA-N -1 3 379.395 3.553 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736328923 598704165 /nfs/dbraw/zinc/70/41/65/598704165.db2.gz RNCJZNCOKOIRMQ-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736328923 598704166 /nfs/dbraw/zinc/70/41/66/598704166.db2.gz RNCJZNCOKOIRMQ-ZDUSSCGKSA-N -1 3 384.411 3.642 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC000736215410 598707239 /nfs/dbraw/zinc/70/72/39/598707239.db2.gz XLRZWQWJWSGOTJ-GOSISDBHSA-N -1 3 383.883 3.872 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737805866 598713064 /nfs/dbraw/zinc/71/30/64/598713064.db2.gz CXDWYQIPOTVNSL-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737805866 598713066 /nfs/dbraw/zinc/71/30/66/598713066.db2.gz CXDWYQIPOTVNSL-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115512 598716442 /nfs/dbraw/zinc/71/64/42/598716442.db2.gz YNHMZOSJGPXZRF-DYVFJYSZSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115512 598716444 /nfs/dbraw/zinc/71/64/44/598716444.db2.gz YNHMZOSJGPXZRF-DYVFJYSZSA-N -1 3 396.882 3.780 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)c[nH]1 ZINC000737468376 598718880 /nfs/dbraw/zinc/71/88/80/598718880.db2.gz XZMVWOGWKYTVLH-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM Cc1cccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737395883 598726346 /nfs/dbraw/zinc/72/63/46/598726346.db2.gz APOSZAPXGRFVSV-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cccc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737395883 598726348 /nfs/dbraw/zinc/72/63/48/598726348.db2.gz APOSZAPXGRFVSV-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM c1coc(-c2c3c(nc(SCc4ccccn4)c2-c2nnn[n-]2)CCC3)c1 ZINC000738433657 598728972 /nfs/dbraw/zinc/72/89/72/598728972.db2.gz WBIWFTNNIUBIDS-UHFFFAOYSA-N -1 3 376.445 3.698 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(F)c(Cl)nc1Cl ZINC000738209009 598735186 /nfs/dbraw/zinc/73/51/86/598735186.db2.gz LLVMHDBVXWVKGN-UHFFFAOYSA-N -1 3 399.238 3.510 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(F)c(Cl)nc1Cl ZINC000738209009 598735188 /nfs/dbraw/zinc/73/51/88/598735188.db2.gz LLVMHDBVXWVKGN-UHFFFAOYSA-N -1 3 399.238 3.510 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)ccc1F ZINC000737238595 598736995 /nfs/dbraw/zinc/73/69/95/598736995.db2.gz PWIYACDZAQMYEV-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)ccc1F ZINC000737238595 598736996 /nfs/dbraw/zinc/73/69/96/598736996.db2.gz PWIYACDZAQMYEV-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737800589 598753683 /nfs/dbraw/zinc/75/36/83/598753683.db2.gz ZPISNLCJGLYKJL-RUDMXATFSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737800589 598753684 /nfs/dbraw/zinc/75/36/84/598753684.db2.gz ZPISNLCJGLYKJL-RUDMXATFSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccnc(C2CC2)n1 ZINC000738173863 598754491 /nfs/dbraw/zinc/75/44/91/598754491.db2.gz UUXZRENCYDOZPC-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736174221 598755746 /nfs/dbraw/zinc/75/57/46/598755746.db2.gz LZZVMOUVDVFQHF-SSDOTTSWSA-N -1 3 384.248 3.641 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736174221 598755747 /nfs/dbraw/zinc/75/57/47/598755747.db2.gz LZZVMOUVDVFQHF-SSDOTTSWSA-N -1 3 384.248 3.641 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)o1 ZINC000737191308 598763734 /nfs/dbraw/zinc/76/37/34/598763734.db2.gz CIIGEQCVROQMNT-UHFFFAOYSA-N -1 3 394.416 3.621 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)o1 ZINC000737191308 598763736 /nfs/dbraw/zinc/76/37/36/598763736.db2.gz CIIGEQCVROQMNT-UHFFFAOYSA-N -1 3 394.416 3.621 20 0 GHADHM CSc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC000737193486 598763850 /nfs/dbraw/zinc/76/38/50/598763850.db2.gz SXDDKPLEMKICPE-UHFFFAOYSA-N -1 3 381.417 3.622 20 0 GHADHM CSc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC000737193486 598763852 /nfs/dbraw/zinc/76/38/52/598763852.db2.gz SXDDKPLEMKICPE-UHFFFAOYSA-N -1 3 381.417 3.622 20 0 GHADHM CCN(C(=O)C[C@@H](C)C(=O)c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503204 598766056 /nfs/dbraw/zinc/76/60/56/598766056.db2.gz TXJYJTFNJPEFNX-CVEARBPZSA-N -1 3 391.475 3.685 20 0 GHADHM CCN(C(=O)C[C@@H](C)C(=O)c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503204 598766058 /nfs/dbraw/zinc/76/60/58/598766058.db2.gz TXJYJTFNJPEFNX-CVEARBPZSA-N -1 3 391.475 3.685 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735921006 598772359 /nfs/dbraw/zinc/77/23/59/598772359.db2.gz FBIMSFNGVHELNX-CQSZACIVSA-N -1 3 396.520 3.928 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735921006 598772361 /nfs/dbraw/zinc/77/23/61/598772361.db2.gz FBIMSFNGVHELNX-CQSZACIVSA-N -1 3 396.520 3.928 20 0 GHADHM CCS[C@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000736663319 598773052 /nfs/dbraw/zinc/77/30/52/598773052.db2.gz CZYZWYKTQIRWSS-LBPRGKRZSA-N -1 3 390.463 3.805 20 0 GHADHM CCS[C@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000736663319 598773053 /nfs/dbraw/zinc/77/30/53/598773053.db2.gz CZYZWYKTQIRWSS-LBPRGKRZSA-N -1 3 390.463 3.805 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1COc2ccccc2C1 ZINC000738251809 598786213 /nfs/dbraw/zinc/78/62/13/598786213.db2.gz SDOYFRKRACFWPP-LJQANCHMSA-N -1 3 398.422 3.690 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1COc2ccccc2C1 ZINC000738251809 598786214 /nfs/dbraw/zinc/78/62/14/598786214.db2.gz SDOYFRKRACFWPP-LJQANCHMSA-N -1 3 398.422 3.690 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738164309 598791184 /nfs/dbraw/zinc/79/11/84/598791184.db2.gz UXUQAHVBVOIQRV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(c2ccccc2)CCC1 ZINC000738207003 598792137 /nfs/dbraw/zinc/79/21/37/598792137.db2.gz IOGJLRYMHNYRMT-UHFFFAOYSA-N -1 3 379.489 3.867 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(c2ccccc2)CCC1 ZINC000738207003 598792138 /nfs/dbraw/zinc/79/21/38/598792138.db2.gz IOGJLRYMHNYRMT-UHFFFAOYSA-N -1 3 379.489 3.867 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCSCC1 ZINC000738171172 598792190 /nfs/dbraw/zinc/79/21/90/598792190.db2.gz DPCWZDCDTUKRFQ-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCSCC1 ZINC000738171172 598792191 /nfs/dbraw/zinc/79/21/91/598792191.db2.gz DPCWZDCDTUKRFQ-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111328 598799697 /nfs/dbraw/zinc/79/96/97/598799697.db2.gz DBVXDBMMRFVFAB-ORAYPTAESA-N -1 3 394.454 3.907 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111328 598799699 /nfs/dbraw/zinc/79/96/99/598799699.db2.gz DBVXDBMMRFVFAB-ORAYPTAESA-N -1 3 394.454 3.907 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738160728 598800744 /nfs/dbraw/zinc/80/07/44/598800744.db2.gz ACYZOIPNEWCQHF-MRXNPFEDSA-N -1 3 388.353 3.653 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738160728 598800745 /nfs/dbraw/zinc/80/07/45/598800745.db2.gz ACYZOIPNEWCQHF-MRXNPFEDSA-N -1 3 388.353 3.653 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)on1 ZINC000737235431 598807633 /nfs/dbraw/zinc/80/76/33/598807633.db2.gz YBAFKTNMONMUGY-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)on1 ZINC000737235431 598807635 /nfs/dbraw/zinc/80/76/35/598807635.db2.gz YBAFKTNMONMUGY-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1cc(N(Cc2ccccn2)C2CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271931 598814798 /nfs/dbraw/zinc/81/47/98/598814798.db2.gz ZIMNYGNWGNHRLZ-UHFFFAOYSA-N -1 3 396.458 3.540 20 0 GHADHM Cc1cc(N(Cc2ccccn2)C2CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271931 598814799 /nfs/dbraw/zinc/81/47/99/598814799.db2.gz ZIMNYGNWGNHRLZ-UHFFFAOYSA-N -1 3 396.458 3.540 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826234965 607367598 /nfs/dbraw/zinc/36/75/98/607367598.db2.gz XAFDQRDXFDUZHJ-UHFFFAOYSA-N -1 3 396.403 3.569 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826234965 607367600 /nfs/dbraw/zinc/36/76/00/607367600.db2.gz XAFDQRDXFDUZHJ-UHFFFAOYSA-N -1 3 396.403 3.569 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)ccc1C(C)C ZINC000737278691 599308630 /nfs/dbraw/zinc/30/86/30/599308630.db2.gz LFLSMSKVBDUESU-OAHLLOKOSA-N -1 3 379.464 3.729 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)ccc1C(C)C ZINC000737278691 599308631 /nfs/dbraw/zinc/30/86/31/599308631.db2.gz LFLSMSKVBDUESU-OAHLLOKOSA-N -1 3 379.464 3.729 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccsc2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506016 599311755 /nfs/dbraw/zinc/31/17/55/599311755.db2.gz OGRUTSQSPRHEPT-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1ccc(-c2ccsc2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506016 599311757 /nfs/dbraw/zinc/31/17/57/599311757.db2.gz OGRUTSQSPRHEPT-UHFFFAOYSA-N -1 3 390.472 3.965 20 0 GHADHM CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508903 599312723 /nfs/dbraw/zinc/31/27/23/599312723.db2.gz PVVYDNDAWLUQDR-UHFFFAOYSA-N -1 3 394.460 3.867 20 0 GHADHM CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508903 599312726 /nfs/dbraw/zinc/31/27/26/599312726.db2.gz PVVYDNDAWLUQDR-UHFFFAOYSA-N -1 3 394.460 3.867 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Br)s1 ZINC000736633613 599327908 /nfs/dbraw/zinc/32/79/08/599327908.db2.gz CBJMQYFQLLXYLV-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Br)s1 ZINC000736633613 599327911 /nfs/dbraw/zinc/32/79/11/599327911.db2.gz CBJMQYFQLLXYLV-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM C[C@@H](NC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736104430 599327976 /nfs/dbraw/zinc/32/79/76/599327976.db2.gz HKHXWNWWBOZQMQ-CHWSQXEVSA-N -1 3 385.468 3.677 20 0 GHADHM C[C@@H](NC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736104430 599327979 /nfs/dbraw/zinc/32/79/79/599327979.db2.gz HKHXWNWWBOZQMQ-CHWSQXEVSA-N -1 3 385.468 3.677 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737153527 599330885 /nfs/dbraw/zinc/33/08/85/599330885.db2.gz SDUIYAUYZWZSMI-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737153527 599330887 /nfs/dbraw/zinc/33/08/87/599330887.db2.gz SDUIYAUYZWZSMI-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM CCc1c(C(=O)CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000736666552 599331244 /nfs/dbraw/zinc/33/12/44/599331244.db2.gz LKDRWNMGPZKKSE-CYBMUJFWSA-N -1 3 397.504 3.945 20 0 GHADHM CCc1c(C(=O)CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000736666552 599331245 /nfs/dbraw/zinc/33/12/45/599331245.db2.gz LKDRWNMGPZKKSE-CYBMUJFWSA-N -1 3 397.504 3.945 20 0 GHADHM C[C@H](SCCC(=O)N1CCc2sccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191807 599331321 /nfs/dbraw/zinc/33/13/21/599331321.db2.gz XAHIQHCTEZMUBY-ZDUSSCGKSA-N -1 3 399.545 3.697 20 0 GHADHM C[C@H](SCCC(=O)N1CCc2sccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191807 599331323 /nfs/dbraw/zinc/33/13/23/599331323.db2.gz XAHIQHCTEZMUBY-ZDUSSCGKSA-N -1 3 399.545 3.697 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000736188559 599332857 /nfs/dbraw/zinc/33/28/57/599332857.db2.gz LCTOWHOQQRZQIM-QWHCGFSZSA-N -1 3 385.468 3.505 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000736188559 599332860 /nfs/dbraw/zinc/33/28/60/599332860.db2.gz LCTOWHOQQRZQIM-QWHCGFSZSA-N -1 3 385.468 3.505 20 0 GHADHM CCC[C@H](Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OCC ZINC000821020788 599373722 /nfs/dbraw/zinc/37/37/22/599373722.db2.gz HXMNJYVUJNNUDF-IBGZPJMESA-N -1 3 395.463 3.589 20 0 GHADHM CCC[C@H](Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OCC ZINC000821020788 599373725 /nfs/dbraw/zinc/37/37/25/599373725.db2.gz HXMNJYVUJNNUDF-IBGZPJMESA-N -1 3 395.463 3.589 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736316454 599373995 /nfs/dbraw/zinc/37/39/95/599373995.db2.gz ZLWQIQCOZZHPBT-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736316454 599373998 /nfs/dbraw/zinc/37/39/98/599373998.db2.gz ZLWQIQCOZZHPBT-UHFFFAOYSA-N -1 3 379.464 3.706 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736239909 599384147 /nfs/dbraw/zinc/38/41/47/599384147.db2.gz URVJIJQEVWHPBT-JTDSTZFVSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736239909 599384150 /nfs/dbraw/zinc/38/41/50/599384150.db2.gz URVJIJQEVWHPBT-JTDSTZFVSA-N -1 3 383.496 3.595 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000822129105 599389287 /nfs/dbraw/zinc/38/92/87/599389287.db2.gz HRUGRVXWAHCEOI-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM CCCn1ccc2ccc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000821149274 599412194 /nfs/dbraw/zinc/41/21/94/599412194.db2.gz UTRWECRZDBSASK-UHFFFAOYSA-N -1 3 392.488 3.962 20 0 GHADHM CCCn1ccc2ccc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821149274 599412195 /nfs/dbraw/zinc/41/21/95/599412195.db2.gz UTRWECRZDBSASK-UHFFFAOYSA-N -1 3 392.488 3.962 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212935 599420210 /nfs/dbraw/zinc/42/02/10/599420210.db2.gz NLHGOJLDHFNIRT-GUYCJALGSA-N -1 3 394.479 3.842 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212935 599420211 /nfs/dbraw/zinc/42/02/11/599420211.db2.gz NLHGOJLDHFNIRT-GUYCJALGSA-N -1 3 394.479 3.842 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2c1C ZINC000822010025 599426286 /nfs/dbraw/zinc/42/62/86/599426286.db2.gz KOKQQEDUXRTHIN-AWEZNQCLSA-N -1 3 389.463 3.525 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2c1C ZINC000822010025 599426289 /nfs/dbraw/zinc/42/62/89/599426289.db2.gz KOKQQEDUXRTHIN-AWEZNQCLSA-N -1 3 389.463 3.525 20 0 GHADHM Cc1cccc(C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822288641 599426484 /nfs/dbraw/zinc/42/64/84/599426484.db2.gz FCACWUUOWAZGNO-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM Cc1cccc(C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822288641 599426487 /nfs/dbraw/zinc/42/64/87/599426487.db2.gz FCACWUUOWAZGNO-HNNXBMFYSA-N -1 3 378.480 3.513 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000735628422 599430318 /nfs/dbraw/zinc/43/03/18/599430318.db2.gz UAJCABYHUUECHZ-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000735628422 599430320 /nfs/dbraw/zinc/43/03/20/599430320.db2.gz UAJCABYHUUECHZ-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358542 599436270 /nfs/dbraw/zinc/43/62/70/599436270.db2.gz NMSGYWRYLUCYMT-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358542 599436274 /nfs/dbraw/zinc/43/62/74/599436274.db2.gz NMSGYWRYLUCYMT-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821022382 599446144 /nfs/dbraw/zinc/44/61/44/599446144.db2.gz ROHSTBJKNSHPPT-FQEVSTJZSA-N -1 3 392.507 3.810 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821022382 599446145 /nfs/dbraw/zinc/44/61/45/599446145.db2.gz ROHSTBJKNSHPPT-FQEVSTJZSA-N -1 3 392.507 3.810 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149322 599455593 /nfs/dbraw/zinc/45/55/93/599455593.db2.gz VILRKZLBYZODIX-ZNRXUEPQSA-N -1 3 387.487 3.680 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149322 599455595 /nfs/dbraw/zinc/45/55/95/599455595.db2.gz VILRKZLBYZODIX-ZNRXUEPQSA-N -1 3 387.487 3.680 20 0 GHADHM CCC(CC)(CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820887696 599468846 /nfs/dbraw/zinc/46/88/46/599468846.db2.gz MLLALWXSEZFODY-UHFFFAOYSA-N -1 3 396.470 3.563 20 0 GHADHM CCC(CC)(CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820887696 599468848 /nfs/dbraw/zinc/46/88/48/599468848.db2.gz MLLALWXSEZFODY-UHFFFAOYSA-N -1 3 396.470 3.563 20 0 GHADHM CCO[C@@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000736617195 599475252 /nfs/dbraw/zinc/47/52/52/599475252.db2.gz QKDZPSWWYOAVKL-ZDUSSCGKSA-N -1 3 384.509 3.585 20 0 GHADHM CCO[C@@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000736617195 599475255 /nfs/dbraw/zinc/47/52/55/599475255.db2.gz QKDZPSWWYOAVKL-ZDUSSCGKSA-N -1 3 384.509 3.585 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353359 599478746 /nfs/dbraw/zinc/47/87/46/599478746.db2.gz ZITUIQPBRADDLA-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353359 599478749 /nfs/dbraw/zinc/47/87/49/599478749.db2.gz ZITUIQPBRADDLA-LIRRHRJNSA-N -1 3 376.464 3.768 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820091831 599479582 /nfs/dbraw/zinc/47/95/82/599479582.db2.gz BDRYJXKNCXAGEM-HNNXBMFYSA-N -1 3 396.470 3.935 20 0 GHADHM CC(C)CN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820091831 599479585 /nfs/dbraw/zinc/47/95/85/599479585.db2.gz BDRYJXKNCXAGEM-HNNXBMFYSA-N -1 3 396.470 3.935 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821110018 599479744 /nfs/dbraw/zinc/47/97/44/599479744.db2.gz VPJRLTAYWDBKEW-OAHLLOKOSA-N -1 3 394.479 3.558 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821110018 599479746 /nfs/dbraw/zinc/47/97/46/599479746.db2.gz VPJRLTAYWDBKEW-OAHLLOKOSA-N -1 3 394.479 3.558 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349312 599485756 /nfs/dbraw/zinc/48/57/56/599485756.db2.gz HJIDQVNDEUBKEV-KZULUSFZSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349312 599485759 /nfs/dbraw/zinc/48/57/59/599485759.db2.gz HJIDQVNDEUBKEV-KZULUSFZSA-N -1 3 398.417 3.753 20 0 GHADHM Fc1ccc(NCc2ccc(OCc3ccccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000822783193 599487588 /nfs/dbraw/zinc/48/75/88/599487588.db2.gz ZENKAALUQFCZCL-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2ccc(OCc3ccccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000822783193 599487590 /nfs/dbraw/zinc/48/75/90/599487590.db2.gz ZENKAALUQFCZCL-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(OCC(C)C)CC3)c2c1 ZINC000822195545 599487851 /nfs/dbraw/zinc/48/78/51/599487851.db2.gz VKFOBQTXXRZVKY-UHFFFAOYSA-N -1 3 380.496 3.673 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(OCC(C)C)CC3)c2c1 ZINC000822195545 599487852 /nfs/dbraw/zinc/48/78/52/599487852.db2.gz VKFOBQTXXRZVKY-UHFFFAOYSA-N -1 3 380.496 3.673 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)sc1C ZINC000737468321 599498829 /nfs/dbraw/zinc/49/88/29/599498829.db2.gz VQGRTTVKHJXWMW-UHFFFAOYSA-N -1 3 391.888 3.650 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)sc1C ZINC000737468321 599498831 /nfs/dbraw/zinc/49/88/31/599498831.db2.gz VQGRTTVKHJXWMW-UHFFFAOYSA-N -1 3 391.888 3.650 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549256 599502476 /nfs/dbraw/zinc/50/24/76/599502476.db2.gz LLLCUQKDYPLKHB-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549256 599502479 /nfs/dbraw/zinc/50/24/79/599502479.db2.gz LLLCUQKDYPLKHB-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737175790 599504308 /nfs/dbraw/zinc/50/43/08/599504308.db2.gz HMPOAQKHGJHIAG-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737175790 599504311 /nfs/dbraw/zinc/50/43/11/599504311.db2.gz HMPOAQKHGJHIAG-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737181639 599504569 /nfs/dbraw/zinc/50/45/69/599504569.db2.gz MBDHBQVKDCFSLB-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737181639 599504573 /nfs/dbraw/zinc/50/45/73/599504573.db2.gz MBDHBQVKDCFSLB-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)cc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820389874 599507053 /nfs/dbraw/zinc/50/70/53/599507053.db2.gz AOGIAXSJKFLGOV-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)cc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820389874 599507056 /nfs/dbraw/zinc/50/70/56/599507056.db2.gz AOGIAXSJKFLGOV-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875808 599512364 /nfs/dbraw/zinc/51/23/64/599512364.db2.gz GHUCAQCQISNREN-WOWTTXDGSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875808 599512366 /nfs/dbraw/zinc/51/23/66/599512366.db2.gz GHUCAQCQISNREN-WOWTTXDGSA-N -1 3 391.475 3.935 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000822136954 599513791 /nfs/dbraw/zinc/51/37/91/599513791.db2.gz QUXHRUOIZJULKS-UHFFFAOYSA-N -1 3 399.336 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000822136954 599513793 /nfs/dbraw/zinc/51/37/93/599513793.db2.gz QUXHRUOIZJULKS-UHFFFAOYSA-N -1 3 399.336 3.838 20 0 GHADHM C[C@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314142 599521334 /nfs/dbraw/zinc/52/13/34/599521334.db2.gz HZRURYUQCLHFKP-KKSFZXQISA-N -1 3 399.454 3.864 20 0 GHADHM C[C@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314142 599521336 /nfs/dbraw/zinc/52/13/36/599521336.db2.gz HZRURYUQCLHFKP-KKSFZXQISA-N -1 3 399.454 3.864 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000822585991 599526825 /nfs/dbraw/zinc/52/68/25/599526825.db2.gz QAYFTTMQMIJWIL-HNNXBMFYSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000822585991 599526828 /nfs/dbraw/zinc/52/68/28/599526828.db2.gz QAYFTTMQMIJWIL-HNNXBMFYSA-N -1 3 376.247 3.751 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822418780 599535055 /nfs/dbraw/zinc/53/50/55/599535055.db2.gz GBEPWSLBYDBLLM-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822418780 599535057 /nfs/dbraw/zinc/53/50/57/599535057.db2.gz GBEPWSLBYDBLLM-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736059953 599539567 /nfs/dbraw/zinc/53/95/67/599539567.db2.gz YEAIMBADLAGJDY-NSHDSACASA-N -1 3 385.468 3.763 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736059953 599539569 /nfs/dbraw/zinc/53/95/69/599539569.db2.gz YEAIMBADLAGJDY-NSHDSACASA-N -1 3 385.468 3.763 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076723 599543605 /nfs/dbraw/zinc/54/36/05/599543605.db2.gz SJMNEWLWEIQLJF-OAHLLOKOSA-N -1 3 379.464 3.783 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076723 599543607 /nfs/dbraw/zinc/54/36/07/599543607.db2.gz SJMNEWLWEIQLJF-OAHLLOKOSA-N -1 3 379.464 3.783 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422022 599549180 /nfs/dbraw/zinc/54/91/80/599549180.db2.gz OYEOGAOATDEBFF-DOTOQJQBSA-N -1 3 393.516 3.672 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422022 599549182 /nfs/dbraw/zinc/54/91/82/599549182.db2.gz OYEOGAOATDEBFF-DOTOQJQBSA-N -1 3 393.516 3.672 20 0 GHADHM C[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820716733 599550394 /nfs/dbraw/zinc/55/03/94/599550394.db2.gz KPWVMSWGSWIZSP-YOEHRIQHSA-N -1 3 397.504 3.693 20 0 GHADHM C[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820716733 599550396 /nfs/dbraw/zinc/55/03/96/599550396.db2.gz KPWVMSWGSWIZSP-YOEHRIQHSA-N -1 3 397.504 3.693 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820684207 599557244 /nfs/dbraw/zinc/55/72/44/599557244.db2.gz NFMUUAFXYRMLSP-QWHCGFSZSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820684207 599557246 /nfs/dbraw/zinc/55/72/46/599557246.db2.gz NFMUUAFXYRMLSP-QWHCGFSZSA-N -1 3 397.508 3.566 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc2ccccc2c1 ZINC000821612339 599559099 /nfs/dbraw/zinc/55/90/99/599559099.db2.gz RAHCYUCKAVISLC-UHFFFAOYSA-N -1 3 397.442 3.702 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccc2ccccc2c1 ZINC000821612339 599559100 /nfs/dbraw/zinc/55/91/00/599559100.db2.gz RAHCYUCKAVISLC-UHFFFAOYSA-N -1 3 397.442 3.702 20 0 GHADHM Cc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1OCC(F)(F)F ZINC000737275732 599599747 /nfs/dbraw/zinc/59/97/47/599599747.db2.gz VIOQVLBUYCBJFB-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM Cc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1OCC(F)(F)F ZINC000737275732 599599749 /nfs/dbraw/zinc/59/97/49/599599749.db2.gz VIOQVLBUYCBJFB-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820288672 599624328 /nfs/dbraw/zinc/62/43/28/599624328.db2.gz WSBGCPGNMNOQKB-QWHCGFSZSA-N -1 3 386.839 3.634 20 0 GHADHM C[C@@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820288672 599624329 /nfs/dbraw/zinc/62/43/29/599624329.db2.gz WSBGCPGNMNOQKB-QWHCGFSZSA-N -1 3 386.839 3.634 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000820288671 599624494 /nfs/dbraw/zinc/62/44/94/599624494.db2.gz WSBGCPGNMNOQKB-OLZOCXBDSA-N -1 3 386.839 3.634 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000820288671 599624495 /nfs/dbraw/zinc/62/44/95/599624495.db2.gz WSBGCPGNMNOQKB-OLZOCXBDSA-N -1 3 386.839 3.634 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820253182 599628563 /nfs/dbraw/zinc/62/85/63/599628563.db2.gz GNWPBVYHOSLMHT-NSHDSACASA-N -1 3 385.468 3.763 20 0 GHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820253182 599628564 /nfs/dbraw/zinc/62/85/64/599628564.db2.gz GNWPBVYHOSLMHT-NSHDSACASA-N -1 3 385.468 3.763 20 0 GHADHM Cc1sc(NC(=O)c2cccc(Br)c2C)c(-c2nnn[n-]2)c1C ZINC000822562563 599629160 /nfs/dbraw/zinc/62/91/60/599629160.db2.gz BMOHVIZCVCQNKW-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2cccc(Br)c2C)c(-c2nn[n-]n2)c1C ZINC000822562563 599629161 /nfs/dbraw/zinc/62/91/61/599629161.db2.gz BMOHVIZCVCQNKW-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000819892005 599632487 /nfs/dbraw/zinc/63/24/87/599632487.db2.gz PSVKYVMKHJLNLD-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000819892005 599632488 /nfs/dbraw/zinc/63/24/88/599632488.db2.gz PSVKYVMKHJLNLD-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)c1ccccc1 ZINC000823303847 599633469 /nfs/dbraw/zinc/63/34/69/599633469.db2.gz WZSBLWSKIHHZRV-UHFFFAOYSA-N -1 3 383.280 3.616 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)c1ccccc1 ZINC000823303847 599633470 /nfs/dbraw/zinc/63/34/70/599633470.db2.gz WZSBLWSKIHHZRV-UHFFFAOYSA-N -1 3 383.280 3.616 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(C)noc1C ZINC000820841808 599633706 /nfs/dbraw/zinc/63/37/06/599633706.db2.gz FCEIOTDGENAKHO-NSHDSACASA-N -1 3 394.357 3.623 20 0 GHADHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(C)noc1C ZINC000820841808 599633707 /nfs/dbraw/zinc/63/37/07/599633707.db2.gz FCEIOTDGENAKHO-NSHDSACASA-N -1 3 394.357 3.623 20 0 GHADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822929132 599634098 /nfs/dbraw/zinc/63/40/98/599634098.db2.gz QCFCSQDQMMFNBW-DAXSKMNVSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822929132 599634099 /nfs/dbraw/zinc/63/40/99/599634099.db2.gz QCFCSQDQMMFNBW-DAXSKMNVSA-N -1 3 377.301 3.677 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1 ZINC000820570494 599636247 /nfs/dbraw/zinc/63/62/47/599636247.db2.gz KUUATIRLVJXQRY-CQSZACIVSA-N -1 3 387.447 3.642 20 0 GHADHM O=c1[nH]c2ccc(N(Cc3ccc(-c4nnn[n-]4)cc3)[C@H]3C=CCCC3)cc2[nH]1 ZINC000823656764 599640647 /nfs/dbraw/zinc/64/06/47/599640647.db2.gz HDTXJWOUMGOZGB-INIZCTEOSA-N -1 3 387.447 3.564 20 0 GHADHM O=c1[nH]c2ccc(N(Cc3ccc(-c4nn[n-]n4)cc3)[C@H]3C=CCCC3)cc2[nH]1 ZINC000823656764 599640648 /nfs/dbraw/zinc/64/06/48/599640648.db2.gz HDTXJWOUMGOZGB-INIZCTEOSA-N -1 3 387.447 3.564 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)c1ccccc1 ZINC000820920280 599675704 /nfs/dbraw/zinc/67/57/04/599675704.db2.gz OUCWTNFFYTVAFL-GOSISDBHSA-N -1 3 396.470 3.561 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)c1ccccc1 ZINC000820920280 599675705 /nfs/dbraw/zinc/67/57/05/599675705.db2.gz OUCWTNFFYTVAFL-GOSISDBHSA-N -1 3 396.470 3.561 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000821105050 599678008 /nfs/dbraw/zinc/67/80/08/599678008.db2.gz WNMMTBDYFIOJJI-BHIYHBOVSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000821105050 599678009 /nfs/dbraw/zinc/67/80/09/599678009.db2.gz WNMMTBDYFIOJJI-BHIYHBOVSA-N -1 3 382.512 3.757 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823144923 599678145 /nfs/dbraw/zinc/67/81/45/599678145.db2.gz NAFQVTYWTSZJSM-CGTJXYLNSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823144923 599678146 /nfs/dbraw/zinc/67/81/46/599678146.db2.gz NAFQVTYWTSZJSM-CGTJXYLNSA-N -1 3 380.496 3.510 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339983 599682036 /nfs/dbraw/zinc/68/20/36/599682036.db2.gz IGAKLIKCXNLRKV-HZPDHXFCSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339983 599682037 /nfs/dbraw/zinc/68/20/37/599682037.db2.gz IGAKLIKCXNLRKV-HZPDHXFCSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351216 599682039 /nfs/dbraw/zinc/68/20/39/599682039.db2.gz MZZLPLFNDUXKCI-KXBFYZLASA-N -1 3 391.479 3.650 20 0 GHADHM C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351216 599682040 /nfs/dbraw/zinc/68/20/40/599682040.db2.gz MZZLPLFNDUXKCI-KXBFYZLASA-N -1 3 391.479 3.650 20 0 GHADHM CO[C@]1(C)C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678385 599689871 /nfs/dbraw/zinc/68/98/71/599689871.db2.gz NCOSDJPPRYLVRH-DNVCBOLYSA-N -1 3 384.509 3.647 20 0 GHADHM CO[C@]1(C)C[C@@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678385 599689872 /nfs/dbraw/zinc/68/98/72/599689872.db2.gz NCOSDJPPRYLVRH-DNVCBOLYSA-N -1 3 384.509 3.647 20 0 GHADHM COc1ccc(C2CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CC2)cc1 ZINC000821787713 599693136 /nfs/dbraw/zinc/69/31/36/599693136.db2.gz YLODBUJFISNFPA-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM COc1ccc(C2CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CC2)cc1 ZINC000821787713 599693137 /nfs/dbraw/zinc/69/31/37/599693137.db2.gz YLODBUJFISNFPA-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820380497 599694428 /nfs/dbraw/zinc/69/44/28/599694428.db2.gz UVWPOEWFMLRNSP-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820380497 599694429 /nfs/dbraw/zinc/69/44/29/599694429.db2.gz UVWPOEWFMLRNSP-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820380496 599694534 /nfs/dbraw/zinc/69/45/34/599694534.db2.gz UVWPOEWFMLRNSP-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000820380496 599694535 /nfs/dbraw/zinc/69/45/35/599694535.db2.gz UVWPOEWFMLRNSP-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1F ZINC000740008956 599717828 /nfs/dbraw/zinc/71/78/28/599717828.db2.gz UBQLNFNEBVXDNO-GOSISDBHSA-N -1 3 386.427 3.874 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1F ZINC000740005685 599718667 /nfs/dbraw/zinc/71/86/67/599718667.db2.gz OTJDMGCGQCHPLB-GOSISDBHSA-N -1 3 386.427 3.874 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826451527 607391782 /nfs/dbraw/zinc/39/17/82/607391782.db2.gz KGEDIMQKFPSVDY-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826451527 607391784 /nfs/dbraw/zinc/39/17/84/607391784.db2.gz KGEDIMQKFPSVDY-UHFFFAOYSA-N -1 3 389.246 3.984 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(-c4nnn[n-]4)cc3C)c2c1 ZINC000826293464 607403573 /nfs/dbraw/zinc/40/35/73/607403573.db2.gz QBXUFRZSROELHQ-UHFFFAOYSA-N -1 3 375.432 3.641 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(-c4nn[n-]n4)cc3C)c2c1 ZINC000826293464 607403574 /nfs/dbraw/zinc/40/35/74/607403574.db2.gz QBXUFRZSROELHQ-UHFFFAOYSA-N -1 3 375.432 3.641 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000826253341 607406256 /nfs/dbraw/zinc/40/62/56/607406256.db2.gz MTNMQSIWOVNEGW-CMDGGOBGSA-N -1 3 377.429 3.541 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000826253341 607406257 /nfs/dbraw/zinc/40/62/57/607406257.db2.gz MTNMQSIWOVNEGW-CMDGGOBGSA-N -1 3 377.429 3.541 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826423017 607414819 /nfs/dbraw/zinc/41/48/19/607414819.db2.gz VIYUVLUDMNPKAR-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826423017 607414820 /nfs/dbraw/zinc/41/48/20/607414820.db2.gz VIYUVLUDMNPKAR-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM COc1ccc(C)cc1CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000737974180 600079613 /nfs/dbraw/zinc/07/96/13/600079613.db2.gz YTZORVXINICQNL-GOSISDBHSA-N -1 3 378.266 3.856 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)ccc1F ZINC000740005639 600122341 /nfs/dbraw/zinc/12/23/41/600122341.db2.gz JQHRKQWBGAFXEW-AWEZNQCLSA-N -1 3 389.402 3.905 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)cc1-c1nnn[n-]1 ZINC000820165932 607429161 /nfs/dbraw/zinc/42/91/61/607429161.db2.gz SCZKZMIWMFKKPI-AWEZNQCLSA-N -1 3 392.463 3.633 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000820165932 607429162 /nfs/dbraw/zinc/42/91/62/607429162.db2.gz SCZKZMIWMFKKPI-AWEZNQCLSA-N -1 3 392.463 3.633 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)c1ccc(F)cc1F ZINC000826244277 607430545 /nfs/dbraw/zinc/43/05/45/607430545.db2.gz MRFRTVSSCQUQFN-UHFFFAOYSA-N -1 3 395.369 3.893 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)c1ccc(F)cc1F ZINC000826244277 607430546 /nfs/dbraw/zinc/43/05/46/607430546.db2.gz MRFRTVSSCQUQFN-UHFFFAOYSA-N -1 3 395.369 3.893 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000826244761 607431135 /nfs/dbraw/zinc/43/11/35/607431135.db2.gz CRQKDIWPMHZUQN-UHFFFAOYSA-N -1 3 387.365 3.787 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000826244761 607431136 /nfs/dbraw/zinc/43/11/36/607431136.db2.gz CRQKDIWPMHZUQN-UHFFFAOYSA-N -1 3 387.365 3.787 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000820164084 607432258 /nfs/dbraw/zinc/43/22/58/607432258.db2.gz CJSQLQHEWIPTFK-KRWDZBQOSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000820164084 607432260 /nfs/dbraw/zinc/43/22/60/607432260.db2.gz CJSQLQHEWIPTFK-KRWDZBQOSA-N -1 3 396.426 3.602 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826292464 607436100 /nfs/dbraw/zinc/43/61/00/607436100.db2.gz VZWKRHNVSIINBN-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826292464 607436101 /nfs/dbraw/zinc/43/61/01/607436101.db2.gz VZWKRHNVSIINBN-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826229223 607437613 /nfs/dbraw/zinc/43/76/13/607437613.db2.gz VBHQHSILPVMQQR-UHFFFAOYSA-N -1 3 379.445 3.753 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826229223 607437615 /nfs/dbraw/zinc/43/76/15/607437615.db2.gz VBHQHSILPVMQQR-UHFFFAOYSA-N -1 3 379.445 3.753 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000826320420 607439435 /nfs/dbraw/zinc/43/94/35/607439435.db2.gz PWFNCQLDPSKEBN-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000826320420 607439437 /nfs/dbraw/zinc/43/94/37/607439437.db2.gz PWFNCQLDPSKEBN-UHFFFAOYSA-N -1 3 376.445 3.575 20 0 GHADHM COc1cccc(OC)c1Oc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000738109886 600425581 /nfs/dbraw/zinc/42/55/81/600425581.db2.gz WAINWBMADHJYFW-FQEVSTJZSA-N -1 3 394.427 3.807 20 0 GHADHM Cc1conc1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000822409106 607449844 /nfs/dbraw/zinc/44/98/44/607449844.db2.gz MGDOKQLJIMASHB-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1conc1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000822409106 607449846 /nfs/dbraw/zinc/44/98/46/607449846.db2.gz MGDOKQLJIMASHB-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM O=C(NCCc1cccc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826439660 607450338 /nfs/dbraw/zinc/45/03/38/607450338.db2.gz DTTSSBRSWLCYPK-UHFFFAOYSA-N -1 3 398.470 3.551 20 0 GHADHM O=C(NCCc1cccc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826439660 607450339 /nfs/dbraw/zinc/45/03/39/607450339.db2.gz DTTSSBRSWLCYPK-UHFFFAOYSA-N -1 3 398.470 3.551 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2ccccc2NC(=O)[O-])c2ccccc2)CC1 ZINC000736798482 600573345 /nfs/dbraw/zinc/57/33/45/600573345.db2.gz WMKYQKKKQXDXNN-HXUWFJFHSA-N -1 3 381.476 3.980 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(C)(C)c1ccccc1 ZINC000824499647 607454999 /nfs/dbraw/zinc/45/49/99/607454999.db2.gz QLVPUIOEQYLPTO-HNNXBMFYSA-N -1 3 390.491 3.521 20 0 GHADHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(C)(C)c1ccccc1 ZINC000824499647 607455000 /nfs/dbraw/zinc/45/50/00/607455000.db2.gz QLVPUIOEQYLPTO-HNNXBMFYSA-N -1 3 390.491 3.521 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826283099 607455667 /nfs/dbraw/zinc/45/56/67/607455667.db2.gz KGBRMGBRJNVOOC-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826283099 607455668 /nfs/dbraw/zinc/45/56/68/607455668.db2.gz KGBRMGBRJNVOOC-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM O=C([O-])[C@@H](NCCN1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000833166658 600737423 /nfs/dbraw/zinc/73/74/23/600737423.db2.gz SNRMMUCLIXTNJA-SFHVURJKSA-N -1 3 379.287 3.767 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000832982275 600797932 /nfs/dbraw/zinc/79/79/32/600797932.db2.gz RBEJIJZMHMKEIM-DAYGRLMNSA-N -1 3 384.501 3.738 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000832982277 600798086 /nfs/dbraw/zinc/79/80/86/600798086.db2.gz RBEJIJZMHMKEIM-IIDMSEBBSA-N -1 3 384.501 3.738 20 0 GHADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2sc(Br)cc2C1 ZINC000824764726 607473122 /nfs/dbraw/zinc/47/31/22/607473122.db2.gz XXFYJXLPXQXOGK-JTQLQIEISA-N -1 3 390.310 3.810 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2sc(Br)cc2C1 ZINC000824764726 607473124 /nfs/dbraw/zinc/47/31/24/607473124.db2.gz XXFYJXLPXQXOGK-JTQLQIEISA-N -1 3 390.310 3.810 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000652430589 601033903 /nfs/dbraw/zinc/03/39/03/601033903.db2.gz PDZAWPDKQLRHDJ-SJLPKXTDSA-N -1 3 398.528 3.504 20 0 GHADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000826122618 601097544 /nfs/dbraw/zinc/09/75/44/601097544.db2.gz FSXYQPDFXAOAFK-UHFFFAOYSA-N -1 3 395.503 3.619 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000826054760 601205198 /nfs/dbraw/zinc/20/51/98/601205198.db2.gz QKQXEAULYUOTRN-SJCJKPOMSA-N -1 3 380.366 3.696 20 0 GHADHM COc1ccc(NC(=O)[C@@H](NCC2(C(=O)[O-])CCCC2)c2ccccc2)cc1 ZINC000832393924 601369224 /nfs/dbraw/zinc/36/92/24/601369224.db2.gz KEZXRCSNERKYDC-IBGZPJMESA-N -1 3 382.460 3.610 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000832914110 601854421 /nfs/dbraw/zinc/85/44/21/601854421.db2.gz AOXHPIHDOKMBAR-CVEARBPZSA-N -1 3 392.459 3.557 20 0 GHADHM CCOc1ccccc1OCCN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830116978 601898643 /nfs/dbraw/zinc/89/86/43/601898643.db2.gz JLIVPFBEEDVUFQ-SFHVURJKSA-N -1 3 383.366 3.639 20 0 GHADHM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000831774048 601973005 /nfs/dbraw/zinc/97/30/05/601973005.db2.gz LMXJBUWSVFOLGI-QGZVFWFLSA-N -1 3 384.259 3.934 20 0 GHADHM CN(C)CCN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000830604081 602011817 /nfs/dbraw/zinc/01/18/17/602011817.db2.gz GGHJGBQSPMCWAL-UHFFFAOYSA-N -1 3 387.402 3.742 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC[C@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000833321066 602249079 /nfs/dbraw/zinc/24/90/79/602249079.db2.gz GXJDNXFBSGXYRU-HOCLYGCPSA-N -1 3 379.840 3.598 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(-c2ccccc2)ns1 ZINC000824147433 607577606 /nfs/dbraw/zinc/57/76/06/607577606.db2.gz CQRIXJLRVLDEER-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(-c2ccccc2)ns1 ZINC000824147433 607577607 /nfs/dbraw/zinc/57/76/07/607577607.db2.gz CQRIXJLRVLDEER-UHFFFAOYSA-N -1 3 393.476 3.799 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739059413 603034027 /nfs/dbraw/zinc/03/40/27/603034027.db2.gz OVLGSKLAVGXDIH-CJNGLKHVSA-N -1 3 386.427 3.873 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000740707959 603041880 /nfs/dbraw/zinc/04/18/80/603041880.db2.gz WBLRLNZUHKPSMB-INIZCTEOSA-N -1 3 386.427 3.702 20 0 GHADHM CCc1ncsc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825754502 607617024 /nfs/dbraw/zinc/61/70/24/607617024.db2.gz ABWDREHHGXOCCS-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1ncsc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825754502 607617025 /nfs/dbraw/zinc/61/70/25/607617025.db2.gz ABWDREHHGXOCCS-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM S=C(NCc1ccccc1)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000826512077 607648757 /nfs/dbraw/zinc/64/87/57/607648757.db2.gz NPFDOUUUZCDVMJ-UHFFFAOYSA-N -1 3 392.532 3.686 20 0 GHADHM S=C(NCc1ccccc1)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000826512077 607648759 /nfs/dbraw/zinc/64/87/59/607648759.db2.gz NPFDOUUUZCDVMJ-UHFFFAOYSA-N -1 3 392.532 3.686 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000828466346 603789178 /nfs/dbraw/zinc/78/91/78/603789178.db2.gz NPCZLWQHNAPQOP-UHFFFAOYSA-N -1 3 385.439 3.652 20 0 GHADHM O=C(CSc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826420869 607659106 /nfs/dbraw/zinc/65/91/06/607659106.db2.gz GUCLEMCWDUBFSE-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826420869 607659107 /nfs/dbraw/zinc/65/91/07/607659107.db2.gz GUCLEMCWDUBFSE-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000826250350 607662604 /nfs/dbraw/zinc/66/26/04/607662604.db2.gz WSUTUFYLTPPOAX-UHFFFAOYSA-N -1 3 386.415 3.960 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000826250350 607662606 /nfs/dbraw/zinc/66/26/06/607662606.db2.gz WSUTUFYLTPPOAX-UHFFFAOYSA-N -1 3 386.415 3.960 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cn2)cc1 ZINC000826292839 607666405 /nfs/dbraw/zinc/66/64/05/607666405.db2.gz OBAQULXFKLKNCE-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cn2)cc1 ZINC000826292839 607666406 /nfs/dbraw/zinc/66/64/06/607666406.db2.gz OBAQULXFKLKNCE-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000826246342 607666930 /nfs/dbraw/zinc/66/69/30/607666930.db2.gz BOGHZIKUNSSAGM-INIZCTEOSA-N -1 3 393.491 3.713 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000826246342 607666932 /nfs/dbraw/zinc/66/69/32/607666932.db2.gz BOGHZIKUNSSAGM-INIZCTEOSA-N -1 3 393.491 3.713 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000826245331 607670677 /nfs/dbraw/zinc/67/06/77/607670677.db2.gz UYNBUXQRIXAZFU-INIZCTEOSA-N -1 3 381.867 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000826245331 607670679 /nfs/dbraw/zinc/67/06/79/607670679.db2.gz UYNBUXQRIXAZFU-INIZCTEOSA-N -1 3 381.867 3.676 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249351 607683930 /nfs/dbraw/zinc/68/39/30/607683930.db2.gz XZRGXXXNNCENPO-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249351 607683931 /nfs/dbraw/zinc/68/39/31/607683931.db2.gz XZRGXXXNNCENPO-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000826250317 607686923 /nfs/dbraw/zinc/68/69/23/607686923.db2.gz VPZWZWGSKGLHNI-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000826250317 607686924 /nfs/dbraw/zinc/68/69/24/607686924.db2.gz VPZWZWGSKGLHNI-UHFFFAOYSA-N -1 3 382.855 3.681 20 0 GHADHM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000833226974 604353126 /nfs/dbraw/zinc/35/31/26/604353126.db2.gz ZHGYYQQFBLFZHH-UHFFFAOYSA-N -1 3 380.488 3.790 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826252909 607696604 /nfs/dbraw/zinc/69/66/04/607696604.db2.gz XQMBHFQQQAOPFM-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826252909 607696605 /nfs/dbraw/zinc/69/66/05/607696605.db2.gz XQMBHFQQQAOPFM-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM Cc1cc(CN2CCSC[C@@H]2CC(=O)[O-])cc(C)c1OCc1ccccn1 ZINC000833745325 604659379 /nfs/dbraw/zinc/65/93/79/604659379.db2.gz CRBFWBUQBPZSJR-IBGZPJMESA-N -1 3 386.517 3.670 20 0 GHADHM O=C(OCCCCC(F)(F)F)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826463745 607709328 /nfs/dbraw/zinc/70/93/28/607709328.db2.gz SMIUPIXCCZXZBG-UHFFFAOYSA-N -1 3 382.264 3.775 20 0 GHADHM O=C(OCCCCC(F)(F)F)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826463745 607709329 /nfs/dbraw/zinc/70/93/29/607709329.db2.gz SMIUPIXCCZXZBG-UHFFFAOYSA-N -1 3 382.264 3.775 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCOc1cc(C)ccc1C(C)C ZINC000826185270 607712688 /nfs/dbraw/zinc/71/26/88/607712688.db2.gz FMMCHTBTYIZGRT-UHFFFAOYSA-N -1 3 395.463 3.715 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cc(C)ccc1C(C)C ZINC000826185270 607712690 /nfs/dbraw/zinc/71/26/90/607712690.db2.gz FMMCHTBTYIZGRT-UHFFFAOYSA-N -1 3 395.463 3.715 20 0 GHADHM COc1cc(N[C@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)cc(OC)c1 ZINC000832027008 604798651 /nfs/dbraw/zinc/79/86/51/604798651.db2.gz TVOZFGCCKLVKQZ-HNNXBMFYSA-N -1 3 388.439 3.618 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000833421566 604953987 /nfs/dbraw/zinc/95/39/87/604953987.db2.gz RUGKIKONVSLJOI-FPOVZHCZSA-N -1 3 386.536 3.857 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000833417981 604955165 /nfs/dbraw/zinc/95/51/65/604955165.db2.gz ZWUYOEHVSBAOEE-GDBMZVCRSA-N -1 3 398.425 3.634 20 0 GHADHM O=C([O-])[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 ZINC000833170100 604990290 /nfs/dbraw/zinc/99/02/90/604990290.db2.gz PBWMKHBTYZFLPY-HSZRJFAPSA-N -1 3 398.466 3.909 20 0 GHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000827717749 604994297 /nfs/dbraw/zinc/99/42/97/604994297.db2.gz LQNCQADXCKOLOG-JLTOFOAXSA-N -1 3 393.418 3.950 20 0 GHADHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)ccc1OCc1ccncc1 ZINC000831955354 604994881 /nfs/dbraw/zinc/99/48/81/604994881.db2.gz IBHNLCKDJNKPFC-YCRPNKLZSA-N -1 3 393.443 3.541 20 0 GHADHM C[C@@H](Oc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1)C(=O)[O-] ZINC000833541689 605094022 /nfs/dbraw/zinc/09/40/22/605094022.db2.gz SHGHPJRMBPEDBY-OAHLLOKOSA-N -1 3 389.879 3.987 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000825066363 607734980 /nfs/dbraw/zinc/73/49/80/607734980.db2.gz CDGUWSVGWAFIGJ-HNNXBMFYSA-N -1 3 397.454 3.663 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000825066363 607734981 /nfs/dbraw/zinc/73/49/81/607734981.db2.gz CDGUWSVGWAFIGJ-HNNXBMFYSA-N -1 3 397.454 3.663 20 0 GHADHM CC(C)(C)C[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000833425639 605144554 /nfs/dbraw/zinc/14/45/54/605144554.db2.gz XLDFLQLLNCWMGD-KRWDZBQOSA-N -1 3 380.916 3.730 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000826354198 607737647 /nfs/dbraw/zinc/73/76/47/607737647.db2.gz SQGVFDMFSLETHY-CQSZACIVSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000826354198 607737648 /nfs/dbraw/zinc/73/76/48/607737648.db2.gz SQGVFDMFSLETHY-CQSZACIVSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000826353609 607737662 /nfs/dbraw/zinc/73/76/62/607737662.db2.gz WQQCTQRNTCNFPI-ZDUSSCGKSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000826353609 607737663 /nfs/dbraw/zinc/73/76/63/607737663.db2.gz WQQCTQRNTCNFPI-ZDUSSCGKSA-N -1 3 392.850 3.726 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825075157 607744903 /nfs/dbraw/zinc/74/49/03/607744903.db2.gz MYHDLRWGFHOHOJ-GFCCVEGCSA-N -1 3 385.399 3.552 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825075157 607744904 /nfs/dbraw/zinc/74/49/04/607744904.db2.gz MYHDLRWGFHOHOJ-GFCCVEGCSA-N -1 3 385.399 3.552 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000824255582 607761495 /nfs/dbraw/zinc/76/14/95/607761495.db2.gz OPZCSDGVCMTGGO-UHFFFAOYSA-N -1 3 382.512 3.615 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000824255582 607761496 /nfs/dbraw/zinc/76/14/96/607761496.db2.gz OPZCSDGVCMTGGO-UHFFFAOYSA-N -1 3 382.512 3.615 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)n1 ZINC000824347782 607771208 /nfs/dbraw/zinc/77/12/08/607771208.db2.gz NOIZPTCENTWHHR-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)n1 ZINC000824347782 607771209 /nfs/dbraw/zinc/77/12/09/607771209.db2.gz NOIZPTCENTWHHR-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM C[C@@H](C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819875997 606019624 /nfs/dbraw/zinc/01/96/24/606019624.db2.gz CXTYSTYIXDUAFQ-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000822427091 606027401 /nfs/dbraw/zinc/02/74/01/606027401.db2.gz CIEYBHKIEXKFDL-UHFFFAOYSA-N -1 3 394.366 3.655 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000822427091 606027406 /nfs/dbraw/zinc/02/74/06/606027406.db2.gz CIEYBHKIEXKFDL-UHFFFAOYSA-N -1 3 394.366 3.655 20 0 GHADHM FC(F)(F)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H](C(F)(F)F)C1 ZINC000822713938 606038413 /nfs/dbraw/zinc/03/84/13/606038413.db2.gz CHRVTQNBIYKKLA-MBTKJCJQSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H](C(F)(F)F)C1 ZINC000822713938 606038418 /nfs/dbraw/zinc/03/84/18/606038418.db2.gz CHRVTQNBIYKKLA-MBTKJCJQSA-N -1 3 380.296 3.583 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(CSC)c1 ZINC000821105175 606107337 /nfs/dbraw/zinc/10/73/37/606107337.db2.gz XMKXXHAVQLMMAN-UHFFFAOYSA-N -1 3 399.495 3.921 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(CSC)c1 ZINC000821105175 606107340 /nfs/dbraw/zinc/10/73/40/606107340.db2.gz XMKXXHAVQLMMAN-UHFFFAOYSA-N -1 3 399.495 3.921 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000821762726 606116136 /nfs/dbraw/zinc/11/61/36/606116136.db2.gz PMPUGNRSGUEUBN-SGTLLEGYSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000821762726 606116137 /nfs/dbraw/zinc/11/61/37/606116137.db2.gz PMPUGNRSGUEUBN-SGTLLEGYSA-N -1 3 396.426 3.629 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000822217537 606116253 /nfs/dbraw/zinc/11/62/53/606116253.db2.gz HJPLRYKJNNATEU-WBVHZDCISA-N -1 3 376.464 3.660 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000822217537 606116255 /nfs/dbraw/zinc/11/62/55/606116255.db2.gz HJPLRYKJNNATEU-WBVHZDCISA-N -1 3 376.464 3.660 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823493145 606120931 /nfs/dbraw/zinc/12/09/31/606120931.db2.gz FXAXKPHCMYULPD-HDICACEKSA-N -1 3 388.475 3.873 20 0 GHADHM C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1 ZINC000820225412 606134323 /nfs/dbraw/zinc/13/43/23/606134323.db2.gz IHWNROLBTPRCNK-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1 ZINC000820225412 606134324 /nfs/dbraw/zinc/13/43/24/606134324.db2.gz IHWNROLBTPRCNK-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562598 606155838 /nfs/dbraw/zinc/15/58/38/606155838.db2.gz HPBYQKWLUPJENH-DQQVXTMASA-N -1 3 396.394 3.775 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562598 606155839 /nfs/dbraw/zinc/15/58/39/606155839.db2.gz HPBYQKWLUPJENH-DQQVXTMASA-N -1 3 396.394 3.775 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356084 606180296 /nfs/dbraw/zinc/18/02/96/606180296.db2.gz JBRDKOSXBIWYOB-HNNXBMFYSA-N -1 3 381.505 3.628 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356084 606180297 /nfs/dbraw/zinc/18/02/97/606180297.db2.gz JBRDKOSXBIWYOB-HNNXBMFYSA-N -1 3 381.505 3.628 20 0 GHADHM Cc1sc(NC(=O)c2cccc(C(F)(F)F)c2F)c(-c2nnn[n-]2)c1C ZINC000822563180 606183190 /nfs/dbraw/zinc/18/31/90/606183190.db2.gz GGGHNFROGHCPDT-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM Cc1sc(NC(=O)c2cccc(C(F)(F)F)c2F)c(-c2nn[n-]n2)c1C ZINC000822563180 606183191 /nfs/dbraw/zinc/18/31/91/606183191.db2.gz GGGHNFROGHCPDT-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000819949863 606184575 /nfs/dbraw/zinc/18/45/75/606184575.db2.gz AGCCNVMTICNSLR-UHFFFAOYSA-N -1 3 382.468 3.853 20 0 GHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000819949863 606184577 /nfs/dbraw/zinc/18/45/77/606184577.db2.gz AGCCNVMTICNSLR-UHFFFAOYSA-N -1 3 382.468 3.853 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCc1ccc(C)s1 ZINC000821699272 606185177 /nfs/dbraw/zinc/18/51/77/606185177.db2.gz JJENUOSGQRXSNK-UHFFFAOYSA-N -1 3 392.868 3.827 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCc1ccc(C)s1 ZINC000821699272 606185179 /nfs/dbraw/zinc/18/51/79/606185179.db2.gz JJENUOSGQRXSNK-UHFFFAOYSA-N -1 3 392.868 3.827 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357105 606193801 /nfs/dbraw/zinc/19/38/01/606193801.db2.gz DUTQMHLCZMZOMF-QHRIQVFBSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357105 606193802 /nfs/dbraw/zinc/19/38/02/606193802.db2.gz DUTQMHLCZMZOMF-QHRIQVFBSA-N -1 3 394.454 3.690 20 0 GHADHM CC1(C)CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820607572 606231975 /nfs/dbraw/zinc/23/19/75/606231975.db2.gz WGMWFNHPRPZSGH-UHFFFAOYSA-N -1 3 378.864 3.539 20 0 GHADHM CC1(C)CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820607572 606231976 /nfs/dbraw/zinc/23/19/76/606231976.db2.gz WGMWFNHPRPZSGH-UHFFFAOYSA-N -1 3 378.864 3.539 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@@H]1C[C@H]1C1CC1 ZINC000823383076 606233362 /nfs/dbraw/zinc/23/33/62/606233362.db2.gz KTFZYAMZOWZNON-UONOGXRCSA-N -1 3 377.473 3.678 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@@H]1C[C@H]1C1CC1 ZINC000823383076 606233364 /nfs/dbraw/zinc/23/33/64/606233364.db2.gz KTFZYAMZOWZNON-UONOGXRCSA-N -1 3 377.473 3.678 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822213078 606236218 /nfs/dbraw/zinc/23/62/18/606236218.db2.gz SVSMPBJDBZJGMR-UHFFFAOYSA-N -1 3 390.472 3.917 20 0 GHADHM Cc1cc(Sc2ccccc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822213078 606236220 /nfs/dbraw/zinc/23/62/20/606236220.db2.gz SVSMPBJDBZJGMR-UHFFFAOYSA-N -1 3 390.472 3.917 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820711481 606244557 /nfs/dbraw/zinc/24/45/57/606244557.db2.gz ZVYJDXDGUSDIKO-CQSZACIVSA-N -1 3 379.489 3.890 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820711481 606244560 /nfs/dbraw/zinc/24/45/60/606244560.db2.gz ZVYJDXDGUSDIKO-CQSZACIVSA-N -1 3 379.489 3.890 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)cc1Cl ZINC000823345783 606267349 /nfs/dbraw/zinc/26/73/49/606267349.db2.gz FHZDZGMPXMTPMP-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)cc1Cl ZINC000823345783 606267350 /nfs/dbraw/zinc/26/73/50/606267350.db2.gz FHZDZGMPXMTPMP-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823073971 606282202 /nfs/dbraw/zinc/28/22/02/606282202.db2.gz HEASOOARKUITTN-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823073971 606282205 /nfs/dbraw/zinc/28/22/05/606282205.db2.gz HEASOOARKUITTN-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM Cc1noc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1C ZINC000822530678 606286287 /nfs/dbraw/zinc/28/62/87/606286287.db2.gz MCQWZKCFQFPPPJ-UHFFFAOYSA-N -1 3 392.444 3.875 20 0 GHADHM Cc1noc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1C ZINC000822530678 606286288 /nfs/dbraw/zinc/28/62/88/606286288.db2.gz MCQWZKCFQFPPPJ-UHFFFAOYSA-N -1 3 392.444 3.875 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823373146 606314268 /nfs/dbraw/zinc/31/42/68/606314268.db2.gz ROPGJWKBRDWRBW-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccccc1Oc1ccccc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823373146 606314271 /nfs/dbraw/zinc/31/42/71/606314271.db2.gz ROPGJWKBRDWRBW-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820870438 606333887 /nfs/dbraw/zinc/33/38/87/606333887.db2.gz SMZUVGAFPLCQGW-ZDUSSCGKSA-N -1 3 399.524 3.814 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820870438 606333889 /nfs/dbraw/zinc/33/38/89/606333889.db2.gz SMZUVGAFPLCQGW-ZDUSSCGKSA-N -1 3 399.524 3.814 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821426708 606341008 /nfs/dbraw/zinc/34/10/08/606341008.db2.gz GWBZHKPLKSNGNF-ZDUSSCGKSA-N -1 3 384.461 3.662 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821426708 606341010 /nfs/dbraw/zinc/34/10/10/606341010.db2.gz GWBZHKPLKSNGNF-ZDUSSCGKSA-N -1 3 384.461 3.662 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820666738 606349149 /nfs/dbraw/zinc/34/91/49/606349149.db2.gz JHBVGHXRHSPQBG-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820666738 606349150 /nfs/dbraw/zinc/34/91/50/606349150.db2.gz JHBVGHXRHSPQBG-PIGZYNQJSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Cl)c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512448 606352718 /nfs/dbraw/zinc/35/27/18/606352718.db2.gz KPXPIUDQXPGKGJ-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Cl)c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512448 606352720 /nfs/dbraw/zinc/35/27/20/606352720.db2.gz KPXPIUDQXPGKGJ-LLVKDONJSA-N -1 3 379.807 3.986 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820506557 606359440 /nfs/dbraw/zinc/35/94/40/606359440.db2.gz BGSNRAYVNMQFIY-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820506557 606359442 /nfs/dbraw/zinc/35/94/42/606359442.db2.gz BGSNRAYVNMQFIY-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM O=C(CCC1CCOCC1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822955014 606360561 /nfs/dbraw/zinc/36/05/61/606360561.db2.gz IOASDOKDDKJDQL-UHFFFAOYSA-N -1 3 394.431 3.771 20 0 GHADHM O=C(CCC1CCOCC1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822955014 606360562 /nfs/dbraw/zinc/36/05/62/606360562.db2.gz IOASDOKDDKJDQL-UHFFFAOYSA-N -1 3 394.431 3.771 20 0 GHADHM O=C(C=Cc1cccnc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822934937 606361900 /nfs/dbraw/zinc/36/19/00/606361900.db2.gz FFBQHFCDESKIPG-BASWHVEKSA-N -1 3 385.383 3.673 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339465 606362096 /nfs/dbraw/zinc/36/20/96/606362096.db2.gz CQOKVALKMJGNSF-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339465 606362097 /nfs/dbraw/zinc/36/20/97/606362097.db2.gz CQOKVALKMJGNSF-YZVOILCLSA-N -1 3 376.464 3.515 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000821465078 606372579 /nfs/dbraw/zinc/37/25/79/606372579.db2.gz AVRZWKSQZRUVLI-UHFFFAOYSA-N -1 3 399.810 3.998 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000821465078 606372580 /nfs/dbraw/zinc/37/25/80/606372580.db2.gz AVRZWKSQZRUVLI-UHFFFAOYSA-N -1 3 399.810 3.998 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@H]1CCCSC1 ZINC000823350509 606383495 /nfs/dbraw/zinc/38/34/95/606383495.db2.gz QAKGRPYAANFPJJ-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@H]1CCCSC1 ZINC000823350509 606383496 /nfs/dbraw/zinc/38/34/96/606383496.db2.gz QAKGRPYAANFPJJ-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820548544 606412055 /nfs/dbraw/zinc/41/20/55/606412055.db2.gz BUVDZBIBIZNQCH-LBPRGKRZSA-N -1 3 387.896 3.805 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820548544 606412056 /nfs/dbraw/zinc/41/20/56/606412056.db2.gz BUVDZBIBIZNQCH-LBPRGKRZSA-N -1 3 387.896 3.805 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820494903 606436640 /nfs/dbraw/zinc/43/66/40/606436640.db2.gz CTRHPGOUOJGUCP-STQMWFEESA-N -1 3 393.472 3.754 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000820494903 606436641 /nfs/dbraw/zinc/43/66/41/606436641.db2.gz CTRHPGOUOJGUCP-STQMWFEESA-N -1 3 393.472 3.754 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820650594 606446740 /nfs/dbraw/zinc/44/67/40/606446740.db2.gz VXZKDZXOZVYSDE-HZPDHXFCSA-N -1 3 390.491 3.597 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820650594 606446742 /nfs/dbraw/zinc/44/67/42/606446742.db2.gz VXZKDZXOZVYSDE-HZPDHXFCSA-N -1 3 390.491 3.597 20 0 GHADHM Cc1csc(N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2)n1 ZINC000822414902 606490437 /nfs/dbraw/zinc/49/04/37/606490437.db2.gz ZUTAVBQTTFYINX-UHFFFAOYSA-N -1 3 376.445 3.539 20 0 GHADHM Cc1csc(N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2)n1 ZINC000822414902 606490438 /nfs/dbraw/zinc/49/04/38/606490438.db2.gz ZUTAVBQTTFYINX-UHFFFAOYSA-N -1 3 376.445 3.539 20 0 GHADHM O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823139303 606497751 /nfs/dbraw/zinc/49/77/51/606497751.db2.gz CLEHPKRSZUCKIL-UHFFFAOYSA-N -1 3 397.410 3.726 20 0 GHADHM O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823139303 606497753 /nfs/dbraw/zinc/49/77/53/606497753.db2.gz CLEHPKRSZUCKIL-UHFFFAOYSA-N -1 3 397.410 3.726 20 0 GHADHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000819987760 606500180 /nfs/dbraw/zinc/50/01/80/606500180.db2.gz KMYFRVGAWRPZJH-UHFFFAOYSA-N -1 3 382.276 3.900 20 0 GHADHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000819987760 606500182 /nfs/dbraw/zinc/50/01/82/606500182.db2.gz KMYFRVGAWRPZJH-UHFFFAOYSA-N -1 3 382.276 3.900 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1)C1CCCCC1 ZINC000823087153 606515299 /nfs/dbraw/zinc/51/52/99/606515299.db2.gz IITVHJXMADSAHD-UHFFFAOYSA-N -1 3 375.476 3.771 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1)C1CCCCC1 ZINC000823087153 606515300 /nfs/dbraw/zinc/51/53/00/606515300.db2.gz IITVHJXMADSAHD-UHFFFAOYSA-N -1 3 375.476 3.771 20 0 GHADHM CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000821082783 606515915 /nfs/dbraw/zinc/51/59/15/606515915.db2.gz NZVQTMHKTITAEK-JKSUJKDBSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000821082783 606515916 /nfs/dbraw/zinc/51/59/16/606515916.db2.gz NZVQTMHKTITAEK-JKSUJKDBSA-N -1 3 389.525 3.518 20 0 GHADHM C[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820398000 606520282 /nfs/dbraw/zinc/52/02/82/606520282.db2.gz YQFCYAPEVQCMCJ-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820398000 606520284 /nfs/dbraw/zinc/52/02/84/606520284.db2.gz YQFCYAPEVQCMCJ-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821222123 606529244 /nfs/dbraw/zinc/52/92/44/606529244.db2.gz PDNSHGXSCZSQMW-UHFFFAOYSA-N -1 3 390.274 3.765 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821222123 606529246 /nfs/dbraw/zinc/52/92/46/606529246.db2.gz PDNSHGXSCZSQMW-UHFFFAOYSA-N -1 3 390.274 3.765 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)n1 ZINC000820198511 606542526 /nfs/dbraw/zinc/54/25/26/606542526.db2.gz YRDGPBAKWSWNRR-NSHDSACASA-N -1 3 388.522 3.528 20 0 GHADHM CC(C)c1csc([C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)n1 ZINC000820198511 606542529 /nfs/dbraw/zinc/54/25/29/606542529.db2.gz YRDGPBAKWSWNRR-NSHDSACASA-N -1 3 388.522 3.528 20 0 GHADHM Cc1cccc(C(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c2cccc(C)c2)c1 ZINC000822289212 606550053 /nfs/dbraw/zinc/55/00/53/606550053.db2.gz UWZQBHYPDTWFBP-UHFFFAOYSA-N -1 3 397.482 3.932 20 0 GHADHM Cc1cccc(C(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c2cccc(C)c2)c1 ZINC000822289212 606550055 /nfs/dbraw/zinc/55/00/55/606550055.db2.gz UWZQBHYPDTWFBP-UHFFFAOYSA-N -1 3 397.482 3.932 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1c(F)cccc1Cl ZINC000823422363 606557996 /nfs/dbraw/zinc/55/79/96/606557996.db2.gz RVOFEJFZJGDYAE-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1c(F)cccc1Cl ZINC000823422363 606557998 /nfs/dbraw/zinc/55/79/98/606557998.db2.gz RVOFEJFZJGDYAE-UHFFFAOYSA-N -1 3 398.728 3.618 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820032923 606561011 /nfs/dbraw/zinc/56/10/11/606561011.db2.gz QJBYIZPGEUNSDE-LJQANCHMSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820032923 606561013 /nfs/dbraw/zinc/56/10/13/606561013.db2.gz QJBYIZPGEUNSDE-LJQANCHMSA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000819988049 606574183 /nfs/dbraw/zinc/57/41/83/606574183.db2.gz RNNRDFCWMGWZQX-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000819988049 606574186 /nfs/dbraw/zinc/57/41/86/606574186.db2.gz RNNRDFCWMGWZQX-UHFFFAOYSA-N -1 3 378.436 3.969 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1nc2ccccc2[nH]1 ZINC000822732869 606598789 /nfs/dbraw/zinc/59/87/89/606598789.db2.gz NCEAJCOOXWNRGL-UHFFFAOYSA-N -1 3 388.403 3.778 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1nc2ccccc2[nH]1 ZINC000822732869 606598790 /nfs/dbraw/zinc/59/87/90/606598790.db2.gz NCEAJCOOXWNRGL-UHFFFAOYSA-N -1 3 388.403 3.778 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148877 606602156 /nfs/dbraw/zinc/60/21/56/606602156.db2.gz PPVRBAGRZLNCFH-HZPDHXFCSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148877 606602158 /nfs/dbraw/zinc/60/21/58/606602158.db2.gz PPVRBAGRZLNCFH-HZPDHXFCSA-N -1 3 393.491 3.979 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000821860244 606602646 /nfs/dbraw/zinc/60/26/46/606602646.db2.gz ZFZDXFUGMBTJKB-HNNXBMFYSA-N -1 3 391.475 3.560 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000821860244 606602647 /nfs/dbraw/zinc/60/26/47/606602647.db2.gz ZFZDXFUGMBTJKB-HNNXBMFYSA-N -1 3 391.475 3.560 20 0 GHADHM O=C(CCc1ccoc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822983164 606604216 /nfs/dbraw/zinc/60/42/16/606604216.db2.gz LXJUTEPFOQXQII-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CCc1ccoc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822983164 606604218 /nfs/dbraw/zinc/60/42/18/606604218.db2.gz LXJUTEPFOQXQII-UHFFFAOYSA-N -1 3 375.388 3.823 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)NCc1cccc(Cl)c1 ZINC000823066305 606629813 /nfs/dbraw/zinc/62/98/13/606629813.db2.gz UICKSGODICWLKQ-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)NCc1cccc(Cl)c1 ZINC000823066305 606629815 /nfs/dbraw/zinc/62/98/15/606629815.db2.gz UICKSGODICWLKQ-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000822248849 606664414 /nfs/dbraw/zinc/66/44/14/606664414.db2.gz QEJFDHSCZJMLLQ-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C(F)(F)F ZINC000822248849 606664415 /nfs/dbraw/zinc/66/44/15/606664415.db2.gz QEJFDHSCZJMLLQ-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2cn(C)c3ccccc23)c1-c1nnn[n-]1 ZINC000821465680 606677006 /nfs/dbraw/zinc/67/70/06/606677006.db2.gz NLRZHWLQCQEEIS-UHFFFAOYSA-N -1 3 394.504 3.862 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2cn(C)c3ccccc23)c1-c1nn[n-]n1 ZINC000821465680 606677007 /nfs/dbraw/zinc/67/70/07/606677007.db2.gz NLRZHWLQCQEEIS-UHFFFAOYSA-N -1 3 394.504 3.862 20 0 GHADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823149504 606677977 /nfs/dbraw/zinc/67/79/77/606677977.db2.gz CHIZEGDXLDDEAV-KSSFIOAISA-N -1 3 397.429 3.676 20 0 GHADHM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823149504 606677978 /nfs/dbraw/zinc/67/79/78/606677978.db2.gz CHIZEGDXLDDEAV-KSSFIOAISA-N -1 3 397.429 3.676 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820913196 606680109 /nfs/dbraw/zinc/68/01/09/606680109.db2.gz DHZFLUSNUVCTRQ-CYBMUJFWSA-N -1 3 391.809 3.549 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820913196 606680110 /nfs/dbraw/zinc/68/01/10/606680110.db2.gz DHZFLUSNUVCTRQ-CYBMUJFWSA-N -1 3 391.809 3.549 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820915741 606682548 /nfs/dbraw/zinc/68/25/48/606682548.db2.gz WZPNVHHPBLTENV-HNNXBMFYSA-N -1 3 385.418 3.547 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820915741 606682549 /nfs/dbraw/zinc/68/25/49/606682549.db2.gz WZPNVHHPBLTENV-HNNXBMFYSA-N -1 3 385.418 3.547 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820912969 606682587 /nfs/dbraw/zinc/68/25/87/606682587.db2.gz AWABLGSNGJHMAA-INIZCTEOSA-N -1 3 399.445 3.937 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820912969 606682588 /nfs/dbraw/zinc/68/25/88/606682588.db2.gz AWABLGSNGJHMAA-INIZCTEOSA-N -1 3 399.445 3.937 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccccc1Br ZINC000823488678 606689928 /nfs/dbraw/zinc/68/99/28/606689928.db2.gz RZHBULXVVKYXGL-INIZCTEOSA-N -1 3 398.264 3.607 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccc1Br ZINC000823488678 606689929 /nfs/dbraw/zinc/68/99/29/606689929.db2.gz RZHBULXVVKYXGL-INIZCTEOSA-N -1 3 398.264 3.607 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822229508 606693688 /nfs/dbraw/zinc/69/36/88/606693688.db2.gz WAMUXDFORJGCNX-OAHLLOKOSA-N -1 3 397.454 3.741 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822229508 606693689 /nfs/dbraw/zinc/69/36/89/606693689.db2.gz WAMUXDFORJGCNX-OAHLLOKOSA-N -1 3 397.454 3.741 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820039477 606696053 /nfs/dbraw/zinc/69/60/53/606696053.db2.gz XNMYXTSMNAXWGO-HNNXBMFYSA-N -1 3 393.451 3.564 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820039477 606696054 /nfs/dbraw/zinc/69/60/54/606696054.db2.gz XNMYXTSMNAXWGO-HNNXBMFYSA-N -1 3 393.451 3.564 20 0 GHADHM CCc1cnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000821499718 606699084 /nfs/dbraw/zinc/69/90/84/606699084.db2.gz PKCJYANVUVYYPC-UHFFFAOYSA-N -1 3 376.420 3.608 20 0 GHADHM CCc1cnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000821499718 606699088 /nfs/dbraw/zinc/69/90/88/606699088.db2.gz PKCJYANVUVYYPC-UHFFFAOYSA-N -1 3 376.420 3.608 20 0 GHADHM COCCC1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000821686275 606736938 /nfs/dbraw/zinc/73/69/38/606736938.db2.gz HZWJBKMDVNKSJO-UHFFFAOYSA-N -1 3 394.431 3.771 20 0 GHADHM COCCC1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000821686275 606736940 /nfs/dbraw/zinc/73/69/40/606736940.db2.gz HZWJBKMDVNKSJO-UHFFFAOYSA-N -1 3 394.431 3.771 20 0 GHADHM CC(C)c1cccc(COC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n1 ZINC000820192770 606737367 /nfs/dbraw/zinc/73/73/67/606737367.db2.gz YUZXIEVOBFZINY-IBGZPJMESA-N -1 3 395.463 3.532 20 0 GHADHM CC(C)c1cccc(COC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n1 ZINC000820192770 606737369 /nfs/dbraw/zinc/73/73/69/606737369.db2.gz YUZXIEVOBFZINY-IBGZPJMESA-N -1 3 395.463 3.532 20 0 GHADHM CC(C)CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000820068582 606769777 /nfs/dbraw/zinc/76/97/77/606769777.db2.gz SOJCXMZYUNSOKT-UHFFFAOYSA-N -1 3 394.426 3.758 20 0 GHADHM CC(C)CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000820068582 606769778 /nfs/dbraw/zinc/76/97/78/606769778.db2.gz SOJCXMZYUNSOKT-UHFFFAOYSA-N -1 3 394.426 3.758 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1C[C@H]2CCC[C@@H]21 ZINC000823356816 606772471 /nfs/dbraw/zinc/77/24/71/606772471.db2.gz ONOVDIQYVQAXQP-WBMJQRKESA-N -1 3 394.410 3.814 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1C[C@H]2CCC[C@@H]21 ZINC000823356816 606772472 /nfs/dbraw/zinc/77/24/72/606772472.db2.gz ONOVDIQYVQAXQP-WBMJQRKESA-N -1 3 394.410 3.814 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1cccc2ccccc21 ZINC000823031969 606785930 /nfs/dbraw/zinc/78/59/30/606785930.db2.gz LMJDPBPXWGDSRV-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1cccc2ccccc21 ZINC000823031969 606785933 /nfs/dbraw/zinc/78/59/33/606785933.db2.gz LMJDPBPXWGDSRV-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822145620 606786190 /nfs/dbraw/zinc/78/61/90/606786190.db2.gz SLOMQFZRDKXKRN-UHFFFAOYSA-N -1 3 389.419 3.560 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822145620 606786191 /nfs/dbraw/zinc/78/61/91/606786191.db2.gz SLOMQFZRDKXKRN-UHFFFAOYSA-N -1 3 389.419 3.560 20 0 GHADHM Cc1ccncc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000822379547 606791496 /nfs/dbraw/zinc/79/14/96/606791496.db2.gz PGJWGPIPFAWPGR-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccncc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000822379547 606791498 /nfs/dbraw/zinc/79/14/98/606791498.db2.gz PGJWGPIPFAWPGR-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCSC[C@H]2C)cc1 ZINC000822135538 606793026 /nfs/dbraw/zinc/79/30/26/606793026.db2.gz DFHZSYZTAUZVTG-CQSZACIVSA-N -1 3 395.488 3.545 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCSC[C@H]2C)cc1 ZINC000822135538 606793028 /nfs/dbraw/zinc/79/30/28/606793028.db2.gz DFHZSYZTAUZVTG-CQSZACIVSA-N -1 3 395.488 3.545 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000820192207 606810723 /nfs/dbraw/zinc/81/07/23/606810723.db2.gz GMHDNTNHFIVACM-UHFFFAOYSA-N -1 3 376.342 3.656 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000820192207 606810725 /nfs/dbraw/zinc/81/07/25/606810725.db2.gz GMHDNTNHFIVACM-UHFFFAOYSA-N -1 3 376.342 3.656 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 ZINC000822143351 606830449 /nfs/dbraw/zinc/83/04/49/606830449.db2.gz BQZKYVJVACRGDF-LJQANCHMSA-N -1 3 392.415 3.636 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 ZINC000822143351 606830451 /nfs/dbraw/zinc/83/04/51/606830451.db2.gz BQZKYVJVACRGDF-LJQANCHMSA-N -1 3 392.415 3.636 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)CC(F)F ZINC000822212000 606834029 /nfs/dbraw/zinc/83/40/29/606834029.db2.gz XVSOZPKBSZTOBG-UHFFFAOYSA-N -1 3 388.378 3.696 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N(C)CC(F)F ZINC000822212000 606834030 /nfs/dbraw/zinc/83/40/30/606834030.db2.gz XVSOZPKBSZTOBG-UHFFFAOYSA-N -1 3 388.378 3.696 20 0 GHADHM CC(C)CCc1noc(CSCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820081848 606840684 /nfs/dbraw/zinc/84/06/84/606840684.db2.gz YGWJDUUEAKMAAU-UHFFFAOYSA-N -1 3 388.497 3.541 20 0 GHADHM CC(C)CCc1noc(CSCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820081848 606840685 /nfs/dbraw/zinc/84/06/85/606840685.db2.gz YGWJDUUEAKMAAU-UHFFFAOYSA-N -1 3 388.497 3.541 20 0 GHADHM Cc1ccc(C)c(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822232119 606841025 /nfs/dbraw/zinc/84/10/25/606841025.db2.gz UOVMHSDMOUPIGN-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1ccc(C)c(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822232119 606841027 /nfs/dbraw/zinc/84/10/27/606841027.db2.gz UOVMHSDMOUPIGN-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000820548682 606851055 /nfs/dbraw/zinc/85/10/55/606851055.db2.gz FHEWUPMRTKGWKS-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000820548682 606851056 /nfs/dbraw/zinc/85/10/56/606851056.db2.gz FHEWUPMRTKGWKS-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822225346 606853209 /nfs/dbraw/zinc/85/32/09/606853209.db2.gz ZNVWYTXZXXZVSU-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822225346 606853210 /nfs/dbraw/zinc/85/32/10/606853210.db2.gz ZNVWYTXZXXZVSU-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM COc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000821770410 606853354 /nfs/dbraw/zinc/85/33/54/606853354.db2.gz SMZGCRHSNNLGCB-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM COc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000821770410 606853356 /nfs/dbraw/zinc/85/33/56/606853356.db2.gz SMZGCRHSNNLGCB-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(F)c(C)cc1F ZINC000821389096 606860136 /nfs/dbraw/zinc/86/01/36/606860136.db2.gz FYDOJVSTONFGBZ-UHFFFAOYSA-N -1 3 394.765 3.725 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(F)c(C)cc1F ZINC000821389096 606860138 /nfs/dbraw/zinc/86/01/38/606860138.db2.gz FYDOJVSTONFGBZ-UHFFFAOYSA-N -1 3 394.765 3.725 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000820120846 606860780 /nfs/dbraw/zinc/86/07/80/606860780.db2.gz LFEYMHKSUMXOPL-UHFFFAOYSA-N -1 3 398.470 3.980 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000820120846 606860782 /nfs/dbraw/zinc/86/07/82/606860782.db2.gz LFEYMHKSUMXOPL-UHFFFAOYSA-N -1 3 398.470 3.980 20 0 GHADHM FC(F)(F)Cc1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822718240 606865305 /nfs/dbraw/zinc/86/53/05/606865305.db2.gz DOJSJQKDJCQQMV-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM FC(F)(F)Cc1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822718240 606865306 /nfs/dbraw/zinc/86/53/06/606865306.db2.gz DOJSJQKDJCQQMV-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM O[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cc2ccccc2s1 ZINC000823690991 606878656 /nfs/dbraw/zinc/87/86/56/606878656.db2.gz ZNEBFFYIGGZWIG-MRXNPFEDSA-N -1 3 388.456 3.775 20 0 GHADHM O[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cc2ccccc2s1 ZINC000823690991 606878657 /nfs/dbraw/zinc/87/86/57/606878657.db2.gz ZNEBFFYIGGZWIG-MRXNPFEDSA-N -1 3 388.456 3.775 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819817304 606928769 /nfs/dbraw/zinc/92/87/69/606928769.db2.gz AAUICOWIOKGRGV-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819817304 606928770 /nfs/dbraw/zinc/92/87/70/606928770.db2.gz AAUICOWIOKGRGV-UHFFFAOYSA-N -1 3 394.332 3.595 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)O1 ZINC000820675451 606956649 /nfs/dbraw/zinc/95/66/49/606956649.db2.gz JDLMSZYUENWQMG-UGSOOPFHSA-N -1 3 397.866 3.621 20 0 GHADHM C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)O1 ZINC000820675451 606956651 /nfs/dbraw/zinc/95/66/51/606956651.db2.gz JDLMSZYUENWQMG-UGSOOPFHSA-N -1 3 397.866 3.621 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820938875 606958499 /nfs/dbraw/zinc/95/84/99/606958499.db2.gz OAVFORLOFSFCQI-MRXNPFEDSA-N -1 3 377.876 3.611 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820938875 606958501 /nfs/dbraw/zinc/95/85/01/606958501.db2.gz OAVFORLOFSFCQI-MRXNPFEDSA-N -1 3 377.876 3.611 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000820001506 606985312 /nfs/dbraw/zinc/98/53/12/606985312.db2.gz PVPGBOSHWMRQCI-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000820001506 606985313 /nfs/dbraw/zinc/98/53/13/606985313.db2.gz PVPGBOSHWMRQCI-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(C)c1C ZINC000822020848 606990409 /nfs/dbraw/zinc/99/04/09/606990409.db2.gz LDBLDDFOIYKAFV-UHFFFAOYSA-N -1 3 384.505 3.524 20 0 GHADHM Cc1c(C)c(C)c(CS(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(C)c1C ZINC000822020848 606990411 /nfs/dbraw/zinc/99/04/11/606990411.db2.gz LDBLDDFOIYKAFV-UHFFFAOYSA-N -1 3 384.505 3.524 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820875974 607002310 /nfs/dbraw/zinc/00/23/10/607002310.db2.gz JLMRPBVWWKAUET-CQSZACIVSA-N -1 3 395.463 3.840 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820875974 607002312 /nfs/dbraw/zinc/00/23/12/607002312.db2.gz JLMRPBVWWKAUET-CQSZACIVSA-N -1 3 395.463 3.840 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819833558 607004965 /nfs/dbraw/zinc/00/49/65/607004965.db2.gz HBFSKERLNFHPRF-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(Br)ccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819833558 607004966 /nfs/dbraw/zinc/00/49/66/607004966.db2.gz HBFSKERLNFHPRF-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3ccc(F)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822196404 607006971 /nfs/dbraw/zinc/00/69/71/607006971.db2.gz IFAOATZNYSQTEL-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3ccc(F)c(-c4nn[n-]n4)c3)o2)c1 ZINC000822196404 607006973 /nfs/dbraw/zinc/00/69/73/607006973.db2.gz IFAOATZNYSQTEL-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Fc1ccc(CSc2n[nH]c(C=Cc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000822773989 607008520 /nfs/dbraw/zinc/00/85/20/607008520.db2.gz DJBRTPBAZFDCBP-CLFYSBASSA-N -1 3 379.424 3.587 20 0 GHADHM Fc1ccc(CSc2n[nH]c(C=Cc3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000822773989 607008522 /nfs/dbraw/zinc/00/85/22/607008522.db2.gz DJBRTPBAZFDCBP-CLFYSBASSA-N -1 3 379.424 3.587 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2ccccc21 ZINC000820032401 607011406 /nfs/dbraw/zinc/01/14/06/607011406.db2.gz NKWGKPCOZGOXTF-GOSISDBHSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2ccccc21 ZINC000820032401 607011408 /nfs/dbraw/zinc/01/14/08/607011408.db2.gz NKWGKPCOZGOXTF-GOSISDBHSA-N -1 3 379.489 3.573 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823308527 607013027 /nfs/dbraw/zinc/01/30/27/607013027.db2.gz DBMYSBXBSVQTOR-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823308527 607013028 /nfs/dbraw/zinc/01/30/28/607013028.db2.gz DBMYSBXBSVQTOR-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM COc1ccc(C2=NC[C@@H](CSc3cccc(-c4nnn[n-]4)c3)S2)cc1 ZINC000821782728 607014171 /nfs/dbraw/zinc/01/41/71/607014171.db2.gz LXGCQWMTPDBWCA-INIZCTEOSA-N -1 3 383.502 3.530 20 0 GHADHM COc1ccc(C2=NC[C@@H](CSc3cccc(-c4nn[n-]n4)c3)S2)cc1 ZINC000821782728 607014172 /nfs/dbraw/zinc/01/41/72/607014172.db2.gz LXGCQWMTPDBWCA-INIZCTEOSA-N -1 3 383.502 3.530 20 0 GHADHM Cc1ccccc1-c1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822345958 607033110 /nfs/dbraw/zinc/03/31/10/607033110.db2.gz XYYIIIHPAOSLQI-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccccc1-c1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822345958 607033111 /nfs/dbraw/zinc/03/31/11/607033111.db2.gz XYYIIIHPAOSLQI-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc(Cl)cc1C ZINC000821105032 607080015 /nfs/dbraw/zinc/08/00/15/607080015.db2.gz WBLVEDFCOUXNFF-UHFFFAOYSA-N -1 3 385.859 3.668 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(Cl)cc1C ZINC000821105032 607080016 /nfs/dbraw/zinc/08/00/16/607080016.db2.gz WBLVEDFCOUXNFF-UHFFFAOYSA-N -1 3 385.859 3.668 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CSCC)cc1 ZINC000821304626 607101144 /nfs/dbraw/zinc/10/11/44/607101144.db2.gz OHOXBHYIYAZCQP-UHFFFAOYSA-N -1 3 382.493 3.804 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000821304877 607101231 /nfs/dbraw/zinc/10/12/31/607101231.db2.gz STIOCDMENLCGOS-UHFFFAOYSA-N -1 3 377.235 3.858 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823257618 607102311 /nfs/dbraw/zinc/10/23/11/607102311.db2.gz QHIRBVGLYSBOBM-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823257618 607102313 /nfs/dbraw/zinc/10/23/13/607102313.db2.gz QHIRBVGLYSBOBM-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM Cc1cc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)ccc1F ZINC000822153680 607123808 /nfs/dbraw/zinc/12/38/08/607123808.db2.gz OWJMOWLMFNXOPV-UHFFFAOYSA-N -1 3 385.790 3.630 20 0 GHADHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821614542 607124900 /nfs/dbraw/zinc/12/49/00/607124900.db2.gz KFJACHFOFVIXNH-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821614542 607124901 /nfs/dbraw/zinc/12/49/01/607124901.db2.gz KFJACHFOFVIXNH-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM Cc1ccn(-c2ccccc2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000822370308 607126050 /nfs/dbraw/zinc/12/60/50/607126050.db2.gz WBDAOVXAZNTYNO-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM Cc1ccn(-c2ccccc2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000822370308 607126052 /nfs/dbraw/zinc/12/60/52/607126052.db2.gz WBDAOVXAZNTYNO-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821491940 607134691 /nfs/dbraw/zinc/13/46/91/607134691.db2.gz DILOUWDYZQMROE-GFCCVEGCSA-N -1 3 383.427 3.537 20 0 GHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821491940 607134693 /nfs/dbraw/zinc/13/46/93/607134693.db2.gz DILOUWDYZQMROE-GFCCVEGCSA-N -1 3 383.427 3.537 20 0 GHADHM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Br)cc1F ZINC000820518789 607158179 /nfs/dbraw/zinc/15/81/79/607158179.db2.gz KYGMWJDFMDEEEW-ZETCQYMHSA-N -1 3 397.229 3.748 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314469 607162430 /nfs/dbraw/zinc/16/24/30/607162430.db2.gz JMFQLBJKUHPGLU-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314469 607162432 /nfs/dbraw/zinc/16/24/32/607162432.db2.gz JMFQLBJKUHPGLU-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822229583 607189984 /nfs/dbraw/zinc/18/99/84/607189984.db2.gz XPCMEZZTNLSVLS-UHFFFAOYSA-N -1 3 385.855 3.969 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822229583 607189985 /nfs/dbraw/zinc/18/99/85/607189985.db2.gz XPCMEZZTNLSVLS-UHFFFAOYSA-N -1 3 385.855 3.969 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC)cc1 ZINC000820920718 607195443 /nfs/dbraw/zinc/19/54/43/607195443.db2.gz SFFBGPMSOZYQOT-HNNXBMFYSA-N -1 3 386.843 3.802 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC)cc1 ZINC000820920718 607195444 /nfs/dbraw/zinc/19/54/44/607195444.db2.gz SFFBGPMSOZYQOT-HNNXBMFYSA-N -1 3 386.843 3.802 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1(Cc2ccccc2)CCC1 ZINC000823319834 607197897 /nfs/dbraw/zinc/19/78/97/607197897.db2.gz ZOTSRTXTDAGTIW-UHFFFAOYSA-N -1 3 382.855 3.807 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1(Cc2ccccc2)CCC1 ZINC000823319834 607197898 /nfs/dbraw/zinc/19/78/98/607197898.db2.gz ZOTSRTXTDAGTIW-UHFFFAOYSA-N -1 3 382.855 3.807 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821454096 607201806 /nfs/dbraw/zinc/20/18/06/607201806.db2.gz DAKXEKMKKPNEOL-GFCCVEGCSA-N -1 3 380.905 3.660 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821454096 607201807 /nfs/dbraw/zinc/20/18/07/607201807.db2.gz DAKXEKMKKPNEOL-GFCCVEGCSA-N -1 3 380.905 3.660 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(-c2cccc(F)c2)no1 ZINC000823319027 607241744 /nfs/dbraw/zinc/24/17/44/607241744.db2.gz PAKDIZDFFMRVAJ-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(COc1cccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823049511 607241761 /nfs/dbraw/zinc/24/17/61/607241761.db2.gz FJVJOAXKNJXFTM-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM O=C(COc1cccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823049511 607241762 /nfs/dbraw/zinc/24/17/62/607241762.db2.gz FJVJOAXKNJXFTM-UHFFFAOYSA-N -1 3 379.807 3.691 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000822263425 607242971 /nfs/dbraw/zinc/24/29/71/607242971.db2.gz OLMSUTDJSQSYNJ-UHFFFAOYSA-N -1 3 385.855 3.935 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000822263425 607242972 /nfs/dbraw/zinc/24/29/72/607242972.db2.gz OLMSUTDJSQSYNJ-UHFFFAOYSA-N -1 3 385.855 3.935 20 0 GHADHM c1cc(-c2cccc(CNc3ncnc4ncccc43)c2)sc1-c1nnn[n-]1 ZINC000826516732 607781104 /nfs/dbraw/zinc/78/11/04/607781104.db2.gz YRSUPZBEEHDZGB-UHFFFAOYSA-N -1 3 386.444 3.546 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ncnc2oc(-c3ccccc3)cc21 ZINC000826372134 607781253 /nfs/dbraw/zinc/78/12/53/607781253.db2.gz JESAQVMAMCMPAL-UHFFFAOYSA-N -1 3 387.378 3.821 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ncnc2oc(-c3ccccc3)cc21 ZINC000826372134 607781254 /nfs/dbraw/zinc/78/12/54/607781254.db2.gz JESAQVMAMCMPAL-UHFFFAOYSA-N -1 3 387.378 3.821 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825068768 607785429 /nfs/dbraw/zinc/78/54/29/607785429.db2.gz WLCKUGRIMLQMKW-AWEZNQCLSA-N -1 3 399.882 3.868 20 0 GHADHM CC[C@H](C)OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825068768 607785430 /nfs/dbraw/zinc/78/54/30/607785430.db2.gz WLCKUGRIMLQMKW-AWEZNQCLSA-N -1 3 399.882 3.868 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000824039367 607786129 /nfs/dbraw/zinc/78/61/29/607786129.db2.gz DYATYSRYJUEIQB-LLVKDONJSA-N -1 3 375.354 3.652 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000824039367 607786130 /nfs/dbraw/zinc/78/61/30/607786130.db2.gz DYATYSRYJUEIQB-LLVKDONJSA-N -1 3 375.354 3.652 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000824040689 607789639 /nfs/dbraw/zinc/78/96/39/607789639.db2.gz SXJSFNINGYEAHW-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000824040689 607789640 /nfs/dbraw/zinc/78/96/40/607789640.db2.gz SXJSFNINGYEAHW-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826468473 607791860 /nfs/dbraw/zinc/79/18/60/607791860.db2.gz RTFOKNIQNIEDGN-UHFFFAOYSA-N -1 3 380.301 3.720 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826468473 607791861 /nfs/dbraw/zinc/79/18/61/607791861.db2.gz RTFOKNIQNIEDGN-UHFFFAOYSA-N -1 3 380.301 3.720 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826470702 607791988 /nfs/dbraw/zinc/79/19/88/607791988.db2.gz ZGOUZKORCMIEQF-UHFFFAOYSA-N -1 3 380.260 3.828 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826470702 607791989 /nfs/dbraw/zinc/79/19/89/607791989.db2.gz ZGOUZKORCMIEQF-UHFFFAOYSA-N -1 3 380.260 3.828 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000826185460 607794555 /nfs/dbraw/zinc/79/45/55/607794555.db2.gz KQDLKVQZCCIWNZ-UHFFFAOYSA-N -1 3 399.410 3.956 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000826185460 607794556 /nfs/dbraw/zinc/79/45/56/607794556.db2.gz KQDLKVQZCCIWNZ-UHFFFAOYSA-N -1 3 399.410 3.956 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000826371910 607813114 /nfs/dbraw/zinc/81/31/14/607813114.db2.gz YQVKKUNDORNJER-UHFFFAOYSA-N -1 3 385.752 3.968 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000826371910 607813115 /nfs/dbraw/zinc/81/31/15/607813115.db2.gz YQVKKUNDORNJER-UHFFFAOYSA-N -1 3 385.752 3.968 20 0 GHADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367930 607816883 /nfs/dbraw/zinc/81/68/83/607816883.db2.gz XUAWAKUCUYXXGY-JSGCOSHPSA-N -1 3 382.468 3.575 20 0 GHADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367930 607816884 /nfs/dbraw/zinc/81/68/84/607816884.db2.gz XUAWAKUCUYXXGY-JSGCOSHPSA-N -1 3 382.468 3.575 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826455345 607824805 /nfs/dbraw/zinc/82/48/05/607824805.db2.gz KISKHJGULMJQFQ-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826455345 607824806 /nfs/dbraw/zinc/82/48/06/607824806.db2.gz KISKHJGULMJQFQ-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM CC(C)(CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000824158602 607832644 /nfs/dbraw/zinc/83/26/44/607832644.db2.gz ZYGOAQXVFSNMKI-UHFFFAOYSA-N -1 3 390.274 3.881 20 0 GHADHM CC(C)(CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000824158602 607832645 /nfs/dbraw/zinc/83/26/45/607832645.db2.gz ZYGOAQXVFSNMKI-UHFFFAOYSA-N -1 3 390.274 3.881 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(F)c1 ZINC000824507381 607833167 /nfs/dbraw/zinc/83/31/67/607833167.db2.gz XBQURNDKMGARMR-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(F)c1 ZINC000824507381 607833168 /nfs/dbraw/zinc/83/31/68/607833168.db2.gz XBQURNDKMGARMR-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM Cc1noc(C)c1CCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000826262330 607893483 /nfs/dbraw/zinc/89/34/83/607893483.db2.gz LYSUMRGDCGOGAE-UHFFFAOYSA-N -1 3 384.387 3.529 20 0 GHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824655850 607902823 /nfs/dbraw/zinc/90/28/23/607902823.db2.gz GGYBVDCXKFJKBU-BLBHWQHRSA-N -1 3 395.410 3.796 20 0 GHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824655850 607902824 /nfs/dbraw/zinc/90/28/24/607902824.db2.gz GGYBVDCXKFJKBU-BLBHWQHRSA-N -1 3 395.410 3.796 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000826323939 607913282 /nfs/dbraw/zinc/91/32/82/607913282.db2.gz YMAMAOOVUABULA-SNVBAGLBSA-N -1 3 376.511 3.650 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000826323939 607913283 /nfs/dbraw/zinc/91/32/83/607913283.db2.gz YMAMAOOVUABULA-SNVBAGLBSA-N -1 3 376.511 3.650 20 0 GHADHM Fc1ccc(CNc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)s2)cc1 ZINC000826374700 607913964 /nfs/dbraw/zinc/91/39/64/607913964.db2.gz JXRWIRIILHMXFI-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(CNc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000826374700 607913965 /nfs/dbraw/zinc/91/39/65/607913965.db2.gz JXRWIRIILHMXFI-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C[C@H](C)SC)cc1 ZINC000826176181 607937542 /nfs/dbraw/zinc/93/75/42/607937542.db2.gz FOOMKGBTUBBQIC-LBPRGKRZSA-N -1 3 399.476 3.748 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C[C@H](C)SC)cc1 ZINC000826176181 607937543 /nfs/dbraw/zinc/93/75/43/607937543.db2.gz FOOMKGBTUBBQIC-LBPRGKRZSA-N -1 3 399.476 3.748 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826323087 607950312 /nfs/dbraw/zinc/95/03/12/607950312.db2.gz PHOWOGURWRHGJN-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826323087 607950313 /nfs/dbraw/zinc/95/03/13/607950313.db2.gz PHOWOGURWRHGJN-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)c2)cs1 ZINC000826322329 607954283 /nfs/dbraw/zinc/95/42/83/607954283.db2.gz IEIRPKQYOHDBRD-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)c2)cs1 ZINC000826322329 607954284 /nfs/dbraw/zinc/95/42/84/607954284.db2.gz IEIRPKQYOHDBRD-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM CCN(C(=O)c1ccc(Br)c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379188 607963322 /nfs/dbraw/zinc/96/33/22/607963322.db2.gz BTRJAGMTNXDJSL-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(Br)c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379188 607963323 /nfs/dbraw/zinc/96/33/23/607963323.db2.gz BTRJAGMTNXDJSL-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM COc1ccc(CSCc2nnc(-c3ccc(C)cc3)o2)cc1-c1nnn[n-]1 ZINC000826207947 607983950 /nfs/dbraw/zinc/98/39/50/607983950.db2.gz LTJZFPNPRIINSR-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSCc2nnc(-c3ccc(C)cc3)o2)cc1-c1nn[n-]n1 ZINC000826207947 607983951 /nfs/dbraw/zinc/98/39/51/607983951.db2.gz LTJZFPNPRIINSR-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM CCN(C(=O)[C@@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825361577 607984199 /nfs/dbraw/zinc/98/41/99/607984199.db2.gz FSHQGNVNOPAKJR-CQSZACIVSA-N -1 3 397.504 3.550 20 0 GHADHM CCN(C(=O)[C@@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825361577 607984200 /nfs/dbraw/zinc/98/42/00/607984200.db2.gz FSHQGNVNOPAKJR-CQSZACIVSA-N -1 3 397.504 3.550 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000826369612 607992013 /nfs/dbraw/zinc/99/20/13/607992013.db2.gz KEHYDWBLDRWQFE-UHFFFAOYSA-N -1 3 396.401 3.508 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000826369612 607992014 /nfs/dbraw/zinc/99/20/14/607992014.db2.gz KEHYDWBLDRWQFE-UHFFFAOYSA-N -1 3 396.401 3.508 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1-c1nnn[n-]1 ZINC000824328845 607995526 /nfs/dbraw/zinc/99/55/26/607995526.db2.gz BUICELPNFHZXAK-UHFFFAOYSA-N -1 3 392.394 3.594 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1-c1nn[n-]n1 ZINC000824328845 607995527 /nfs/dbraw/zinc/99/55/27/607995527.db2.gz BUICELPNFHZXAK-UHFFFAOYSA-N -1 3 392.394 3.594 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000824319416 608005816 /nfs/dbraw/zinc/00/58/16/608005816.db2.gz PGWORIZOFWOVQU-UHFFFAOYSA-N -1 3 384.484 3.864 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000824319416 608005817 /nfs/dbraw/zinc/00/58/17/608005817.db2.gz PGWORIZOFWOVQU-UHFFFAOYSA-N -1 3 384.484 3.864 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000824447891 608008193 /nfs/dbraw/zinc/00/81/93/608008193.db2.gz DBNKKVYMUKNTIW-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824447891 608008194 /nfs/dbraw/zinc/00/81/94/608008194.db2.gz DBNKKVYMUKNTIW-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000826250231 608031400 /nfs/dbraw/zinc/03/14/00/608031400.db2.gz QIHZYGKNZPMGFX-UHFFFAOYSA-N -1 3 389.463 3.612 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000826250231 608031401 /nfs/dbraw/zinc/03/14/01/608031401.db2.gz QIHZYGKNZPMGFX-UHFFFAOYSA-N -1 3 389.463 3.612 20 0 GHADHM FC(F)CN(CC1CCC1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826369439 608046748 /nfs/dbraw/zinc/04/67/48/608046748.db2.gz CSAAVMJILYIUDT-UHFFFAOYSA-N -1 3 386.859 3.584 20 0 GHADHM FC(F)CN(CC1CCC1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826369439 608046749 /nfs/dbraw/zinc/04/67/49/608046749.db2.gz CSAAVMJILYIUDT-UHFFFAOYSA-N -1 3 386.859 3.584 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCSCc1ccccc1 ZINC000826335077 608055692 /nfs/dbraw/zinc/05/56/92/608055692.db2.gz XDTJYXHKNDOSMQ-UHFFFAOYSA-N -1 3 391.504 3.757 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCSCc1ccccc1 ZINC000826335077 608055693 /nfs/dbraw/zinc/05/56/93/608055693.db2.gz XDTJYXHKNDOSMQ-UHFFFAOYSA-N -1 3 391.504 3.757 20 0 GHADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385469 608058238 /nfs/dbraw/zinc/05/82/38/608058238.db2.gz HBRHWAZJGNUDRF-FOIQADDNSA-N -1 3 391.475 3.594 20 0 GHADHM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385469 608058239 /nfs/dbraw/zinc/05/82/39/608058239.db2.gz HBRHWAZJGNUDRF-FOIQADDNSA-N -1 3 391.475 3.594 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000824052978 608058886 /nfs/dbraw/zinc/05/88/86/608058886.db2.gz ULTZPUDESDMERW-HNNXBMFYSA-N -1 3 398.422 3.807 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)n[nH]1 ZINC000826270437 608077950 /nfs/dbraw/zinc/07/79/50/608077950.db2.gz AARUNWDXWSGHAI-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)n[nH]1 ZINC000826270437 608077951 /nfs/dbraw/zinc/07/79/51/608077951.db2.gz AARUNWDXWSGHAI-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM CCCCC[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000825268624 608081575 /nfs/dbraw/zinc/08/15/75/608081575.db2.gz WMZIDFUGGGWJPE-OALUTQOASA-N -1 3 385.512 3.619 20 0 GHADHM CCCCC[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000825268624 608081576 /nfs/dbraw/zinc/08/15/76/608081576.db2.gz WMZIDFUGGGWJPE-OALUTQOASA-N -1 3 385.512 3.619 20 0 GHADHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477531 608111283 /nfs/dbraw/zinc/11/12/83/608111283.db2.gz FZHBLUNAZFBNRH-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477531 608111284 /nfs/dbraw/zinc/11/12/84/608111284.db2.gz FZHBLUNAZFBNRH-HNNXBMFYSA-N -1 3 389.843 3.557 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520953 608115218 /nfs/dbraw/zinc/11/52/18/608115218.db2.gz GPAAHMYAFDHBEA-CQSZACIVSA-N -1 3 388.431 3.563 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520953 608115219 /nfs/dbraw/zinc/11/52/19/608115219.db2.gz GPAAHMYAFDHBEA-CQSZACIVSA-N -1 3 388.431 3.563 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000825314209 608116191 /nfs/dbraw/zinc/11/61/91/608116191.db2.gz YMYZLVSHHCKOEB-CYBMUJFWSA-N -1 3 385.418 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000825314209 608116192 /nfs/dbraw/zinc/11/61/92/608116192.db2.gz YMYZLVSHHCKOEB-CYBMUJFWSA-N -1 3 385.418 3.687 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824867292 608119424 /nfs/dbraw/zinc/11/94/24/608119424.db2.gz OZIJXDVCOFWPDL-ZFWWWQNUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824867292 608119425 /nfs/dbraw/zinc/11/94/25/608119425.db2.gz OZIJXDVCOFWPDL-ZFWWWQNUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868102 608119427 /nfs/dbraw/zinc/11/94/27/608119427.db2.gz SVTQZWNXWRIROR-BFUOFWGJSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868102 608119428 /nfs/dbraw/zinc/11/94/28/608119428.db2.gz SVTQZWNXWRIROR-BFUOFWGJSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1c(F)cccc1F ZINC000824051888 608121981 /nfs/dbraw/zinc/12/19/81/608121981.db2.gz HPKMZAQLYILDLL-VIFPVBQESA-N -1 3 389.431 3.827 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1c(F)cccc1F ZINC000824051888 608121982 /nfs/dbraw/zinc/12/19/82/608121982.db2.gz HPKMZAQLYILDLL-VIFPVBQESA-N -1 3 389.431 3.827 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1nccn1CCCc1ccccc1 ZINC000826353043 608124057 /nfs/dbraw/zinc/12/40/57/608124057.db2.gz YTHRDJLNILKYHV-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1nccn1CCCc1ccccc1 ZINC000826353043 608124058 /nfs/dbraw/zinc/12/40/58/608124058.db2.gz YTHRDJLNILKYHV-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM Cc1cc(C)cc([C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(F)(F)F)c1 ZINC000826264777 608124231 /nfs/dbraw/zinc/12/42/31/608124231.db2.gz ZYLWMBQCCFHBDS-QGZVFWFLSA-N -1 3 390.365 3.873 20 0 GHADHM Cc1cc(C)cc([C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)c1 ZINC000826264777 608124232 /nfs/dbraw/zinc/12/42/32/608124232.db2.gz ZYLWMBQCCFHBDS-QGZVFWFLSA-N -1 3 390.365 3.873 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000824319460 608153846 /nfs/dbraw/zinc/15/38/46/608153846.db2.gz RFUDOANUOSVLEK-NSHDSACASA-N -1 3 387.390 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000824319460 608153847 /nfs/dbraw/zinc/15/38/47/608153847.db2.gz RFUDOANUOSVLEK-NSHDSACASA-N -1 3 387.390 3.674 20 0 GHADHM O=C(N[C@H]1CC12CCCCC2)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826428450 608165037 /nfs/dbraw/zinc/16/50/37/608165037.db2.gz BZQGKIQIFQCYCS-KRWDZBQOSA-N -1 3 390.447 3.507 20 0 GHADHM O=C(N[C@H]1CC12CCCCC2)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826428450 608165038 /nfs/dbraw/zinc/16/50/38/608165038.db2.gz BZQGKIQIFQCYCS-KRWDZBQOSA-N -1 3 390.447 3.507 20 0 GHADHM Cc1cnc([C@H](C)OC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000826317936 608172430 /nfs/dbraw/zinc/17/24/30/608172430.db2.gz QFELCZFTMVWHSH-ZDUSSCGKSA-N -1 3 390.403 3.825 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723646 608181974 /nfs/dbraw/zinc/18/19/74/608181974.db2.gz TVPDZMNNQVUTRX-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723646 608181976 /nfs/dbraw/zinc/18/19/76/608181976.db2.gz TVPDZMNNQVUTRX-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826343354 608186031 /nfs/dbraw/zinc/18/60/31/608186031.db2.gz XDVLYUCDAQXJLN-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826343354 608186032 /nfs/dbraw/zinc/18/60/32/608186032.db2.gz XDVLYUCDAQXJLN-NSHDSACASA-N -1 3 393.378 3.887 20 0 GHADHM C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccco1 ZINC000826232075 608188366 /nfs/dbraw/zinc/18/83/66/608188366.db2.gz JYCQARBAYFPDEX-GFCCVEGCSA-N -1 3 380.360 3.550 20 0 GHADHM Cc1nc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000826326711 608201829 /nfs/dbraw/zinc/20/18/29/608201829.db2.gz AOMBMGZVWANFCH-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM COc1ccc(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1OC ZINC000826187565 608206537 /nfs/dbraw/zinc/20/65/37/608206537.db2.gz WHGPBJJSPUQZKR-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM COc1ccc(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1OC ZINC000826187565 608206538 /nfs/dbraw/zinc/20/65/38/608206538.db2.gz WHGPBJJSPUQZKR-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM Cn1c(CSc2cccc(Cl)c2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000826355735 608207421 /nfs/dbraw/zinc/20/74/21/608207421.db2.gz LFVPXQSOOOTSLF-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(CSc2cccc(Cl)c2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000826355735 608207423 /nfs/dbraw/zinc/20/74/23/608207423.db2.gz LFVPXQSOOOTSLF-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825991509 608231951 /nfs/dbraw/zinc/23/19/51/608231951.db2.gz CVWSRIIQMCRUNN-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825991509 608231953 /nfs/dbraw/zinc/23/19/53/608231953.db2.gz CVWSRIIQMCRUNN-UHFFFAOYSA-N -1 3 391.382 3.527 20 0 GHADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)Cc1ccc(Cl)cc1 ZINC000824384609 608240547 /nfs/dbraw/zinc/24/05/47/608240547.db2.gz FIRUZBJSQYRFPU-CQSZACIVSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)Cc1ccc(Cl)cc1 ZINC000824384609 608240549 /nfs/dbraw/zinc/24/05/49/608240549.db2.gz FIRUZBJSQYRFPU-CQSZACIVSA-N -1 3 395.894 3.894 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824136027 608250768 /nfs/dbraw/zinc/25/07/68/608250768.db2.gz MDBNWAUGDCURHZ-UHFFFAOYSA-N -1 3 396.882 3.806 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824136027 608250770 /nfs/dbraw/zinc/25/07/70/608250770.db2.gz MDBNWAUGDCURHZ-UHFFFAOYSA-N -1 3 396.882 3.806 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)s1 ZINC000826318272 608259200 /nfs/dbraw/zinc/25/92/00/608259200.db2.gz BFGIRMKOJAGBRG-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM Cc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)s1 ZINC000826318272 608259201 /nfs/dbraw/zinc/25/92/01/608259201.db2.gz BFGIRMKOJAGBRG-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1F ZINC000826288943 608265070 /nfs/dbraw/zinc/26/50/70/608265070.db2.gz CRKKMGOCQYLINT-UHFFFAOYSA-N -1 3 375.404 3.646 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1F ZINC000826288943 608265071 /nfs/dbraw/zinc/26/50/71/608265071.db2.gz CRKKMGOCQYLINT-UHFFFAOYSA-N -1 3 375.404 3.646 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C[C@@H]1C ZINC000824945777 608268837 /nfs/dbraw/zinc/26/88/37/608268837.db2.gz FMGAHSDXPBJUMV-KGLIPLIRSA-N -1 3 393.451 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C[C@@H]1C ZINC000824945777 608268839 /nfs/dbraw/zinc/26/88/39/608268839.db2.gz FMGAHSDXPBJUMV-KGLIPLIRSA-N -1 3 393.451 3.564 20 0 GHADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Br)ccc1F ZINC000824605526 608283793 /nfs/dbraw/zinc/28/37/93/608283793.db2.gz JKYMVLCQDCZVAS-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM O=C(CCOc1ccccc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826407966 608304396 /nfs/dbraw/zinc/30/43/96/608304396.db2.gz KHDQLFSXYCMNSY-UHFFFAOYSA-N -1 3 399.454 3.619 20 0 GHADHM O=C(CCOc1ccccc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826407966 608304398 /nfs/dbraw/zinc/30/43/98/608304398.db2.gz KHDQLFSXYCMNSY-UHFFFAOYSA-N -1 3 399.454 3.619 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(F)c1F ZINC000824507718 608310536 /nfs/dbraw/zinc/31/05/36/608310536.db2.gz XUMGYADKEUJIQJ-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(F)c1F ZINC000824507718 608310538 /nfs/dbraw/zinc/31/05/38/608310538.db2.gz XUMGYADKEUJIQJ-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1CCC(F)(F)F ZINC000826170656 608320563 /nfs/dbraw/zinc/32/05/63/608320563.db2.gz JYSTZDXFGVSUIB-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1CCC(F)(F)F ZINC000826170656 608320565 /nfs/dbraw/zinc/32/05/65/608320565.db2.gz JYSTZDXFGVSUIB-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(CCC(F)(F)F)cc1 ZINC000826170831 608320694 /nfs/dbraw/zinc/32/06/94/608320694.db2.gz QVJCOIWEWCEDLD-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(CCC(F)(F)F)cc1 ZINC000826170831 608320696 /nfs/dbraw/zinc/32/06/96/608320696.db2.gz QVJCOIWEWCEDLD-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000825669364 608321734 /nfs/dbraw/zinc/32/17/34/608321734.db2.gz WENPSTRPPGDYLW-JTQLQIEISA-N -1 3 392.510 3.506 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000825669364 608321736 /nfs/dbraw/zinc/32/17/36/608321736.db2.gz WENPSTRPPGDYLW-JTQLQIEISA-N -1 3 392.510 3.506 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1noc(C2CCCCC2)n1 ZINC000826173731 608322368 /nfs/dbraw/zinc/32/23/68/608322368.db2.gz RRWINRAATQAWFK-UHFFFAOYSA-N -1 3 386.481 3.739 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1noc(C2CCCCC2)n1 ZINC000826173731 608322371 /nfs/dbraw/zinc/32/23/71/608322371.db2.gz RRWINRAATQAWFK-UHFFFAOYSA-N -1 3 386.481 3.739 20 0 GHADHM CCN(C(=O)Cc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377133 608342074 /nfs/dbraw/zinc/34/20/74/608342074.db2.gz UTGCSXLPXAJOHB-UHFFFAOYSA-N -1 3 381.867 3.604 20 0 GHADHM CCN(C(=O)Cc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377133 608342076 /nfs/dbraw/zinc/34/20/76/608342076.db2.gz UTGCSXLPXAJOHB-UHFFFAOYSA-N -1 3 381.867 3.604 20 0 GHADHM CCN(C(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377060 608345602 /nfs/dbraw/zinc/34/56/02/608345602.db2.gz SOZYZFJIWZCDIB-UHFFFAOYSA-N -1 3 395.772 3.533 20 0 GHADHM CCN(C(=O)Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377060 608345603 /nfs/dbraw/zinc/34/56/03/608345603.db2.gz SOZYZFJIWZCDIB-UHFFFAOYSA-N -1 3 395.772 3.533 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(Cl)c1Cl ZINC000826172769 608346053 /nfs/dbraw/zinc/34/60/53/608346053.db2.gz WNEQUMDBICEGOK-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(Cl)c1Cl ZINC000826172769 608346055 /nfs/dbraw/zinc/34/60/55/608346055.db2.gz WNEQUMDBICEGOK-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM CCN(C(=O)c1occc1Br)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391410 608347117 /nfs/dbraw/zinc/34/71/17/608347117.db2.gz ZEXITSQTRJOHGR-UHFFFAOYSA-N -1 3 396.632 3.542 20 0 GHADHM CCN(C(=O)c1occc1Br)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391410 608347119 /nfs/dbraw/zinc/34/71/19/608347119.db2.gz ZEXITSQTRJOHGR-UHFFFAOYSA-N -1 3 396.632 3.542 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2nc(Cl)ccc2F)c(-c2nnn[n-]2)s1 ZINC000824131212 608348638 /nfs/dbraw/zinc/34/86/38/608348638.db2.gz XJFNYWWVJRBNEM-UHFFFAOYSA-N -1 3 380.836 3.666 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000826274588 608370093 /nfs/dbraw/zinc/37/00/93/608370093.db2.gz WPVMYWDCJMHXRG-UHFFFAOYSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000826274588 608370094 /nfs/dbraw/zinc/37/00/94/608370094.db2.gz WPVMYWDCJMHXRG-UHFFFAOYSA-N -1 3 395.854 3.749 20 0 GHADHM Clc1cc(N2CCC(c3c[nH]c4ncccc34)CC2)ccc1-c1nnn[n-]1 ZINC000826350865 608374838 /nfs/dbraw/zinc/37/48/38/608374838.db2.gz OIHWXCVZPZTSLY-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cc(N2CCC(c3c[nH]c4ncccc34)CC2)ccc1-c1nn[n-]n1 ZINC000826350865 608374840 /nfs/dbraw/zinc/37/48/40/608374840.db2.gz OIHWXCVZPZTSLY-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3ccccc3)c[nH]2)ccc1-c1nnn[n-]1 ZINC000826368394 608376096 /nfs/dbraw/zinc/37/60/96/608376096.db2.gz NUOVOJKPLLVFBT-UHFFFAOYSA-N -1 3 385.353 3.888 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3ccccc3)c[nH]2)ccc1-c1nn[n-]n1 ZINC000826368394 608376098 /nfs/dbraw/zinc/37/60/98/608376098.db2.gz NUOVOJKPLLVFBT-UHFFFAOYSA-N -1 3 385.353 3.888 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000826441878 608428239 /nfs/dbraw/zinc/42/82/39/608428239.db2.gz ZQSCDCOOATUABN-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000826441878 608428240 /nfs/dbraw/zinc/42/82/40/608428240.db2.gz ZQSCDCOOATUABN-UHFFFAOYSA-N -1 3 399.735 3.608 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000824141460 608449383 /nfs/dbraw/zinc/44/93/83/608449383.db2.gz HOUICGZGCMJGBE-BQYQJAHWSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000824141460 608449384 /nfs/dbraw/zinc/44/93/84/608449384.db2.gz HOUICGZGCMJGBE-BQYQJAHWSA-N -1 3 387.440 3.516 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Oc1ccccn1 ZINC000826466695 608450454 /nfs/dbraw/zinc/45/04/54/608450454.db2.gz POAQYKKHRMZGNE-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Oc1ccccn1 ZINC000826466695 608450456 /nfs/dbraw/zinc/45/04/56/608450456.db2.gz POAQYKKHRMZGNE-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM C[C@H](NCc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633032 608469129 /nfs/dbraw/zinc/46/91/29/608469129.db2.gz GNOIKWLUSFLLCX-JTQLQIEISA-N -1 3 388.353 3.878 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825125966 608477577 /nfs/dbraw/zinc/47/75/77/608477577.db2.gz GEQYEZCSOUHFDG-AWEZNQCLSA-N -1 3 398.492 3.922 20 0 GHADHM CC[C@@H](CSC)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825125966 608477578 /nfs/dbraw/zinc/47/75/78/608477578.db2.gz GEQYEZCSOUHFDG-AWEZNQCLSA-N -1 3 398.492 3.922 20 0 GHADHM O=C(/C=C\SCc1ccco1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399990 608479343 /nfs/dbraw/zinc/47/93/43/608479343.db2.gz MGROHXYEFGKBDU-LCYFTJDESA-N -1 3 393.472 3.523 20 0 GHADHM O=C(/C=C\SCc1ccco1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399990 608479345 /nfs/dbraw/zinc/47/93/45/608479345.db2.gz MGROHXYEFGKBDU-LCYFTJDESA-N -1 3 393.472 3.523 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404483 608483817 /nfs/dbraw/zinc/48/38/17/608483817.db2.gz BVWRDMKEFZWJLL-QGZVFWFLSA-N -1 3 399.498 3.678 20 0 GHADHM O=C(C[C@@H]1CCc2ccccc2C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404483 608483819 /nfs/dbraw/zinc/48/38/19/608483819.db2.gz BVWRDMKEFZWJLL-QGZVFWFLSA-N -1 3 399.498 3.678 20 0 GHADHM Cc1ccc(/C=C\CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826285457 608488684 /nfs/dbraw/zinc/48/86/84/608488684.db2.gz AHLQVIPTZQUNFB-IHWYPQMZSA-N -1 3 385.471 3.894 20 0 GHADHM Cc1ccc(/C=C\CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826285457 608488686 /nfs/dbraw/zinc/48/86/86/608488686.db2.gz AHLQVIPTZQUNFB-IHWYPQMZSA-N -1 3 385.471 3.894 20 0 GHADHM CC[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000825154599 608499791 /nfs/dbraw/zinc/49/97/91/608499791.db2.gz RCAIXNLMANLQSW-AWEZNQCLSA-N -1 3 380.301 3.731 20 0 GHADHM CC[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000825154599 608499792 /nfs/dbraw/zinc/49/97/92/608499792.db2.gz RCAIXNLMANLQSW-AWEZNQCLSA-N -1 3 380.301 3.731 20 0 GHADHM Clc1cccc(-c2nc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)co2)c1 ZINC000826352898 608534340 /nfs/dbraw/zinc/53/43/40/608534340.db2.gz RVJFUKRGXWOXSR-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Clc1cccc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)co2)c1 ZINC000826352898 608534342 /nfs/dbraw/zinc/53/43/42/608534342.db2.gz RVJFUKRGXWOXSR-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Cc1sc(NC(=O)c2ccccc2OC(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826350466 608540489 /nfs/dbraw/zinc/54/04/89/608540489.db2.gz XLDJIICAPUXFQX-UHFFFAOYSA-N -1 3 383.355 3.696 20 0 GHADHM Cc1sc(NC(=O)c2ccccc2OC(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826350466 608540491 /nfs/dbraw/zinc/54/04/91/608540491.db2.gz XLDJIICAPUXFQX-UHFFFAOYSA-N -1 3 383.355 3.696 20 0 GHADHM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000825341375 608542230 /nfs/dbraw/zinc/54/22/30/608542230.db2.gz BCFSMBIBASEZRC-UHFFFAOYSA-N -1 3 375.379 3.869 20 0 GHADHM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000825341375 608542232 /nfs/dbraw/zinc/54/22/32/608542232.db2.gz BCFSMBIBASEZRC-UHFFFAOYSA-N -1 3 375.379 3.869 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000826231008 608547363 /nfs/dbraw/zinc/54/73/63/608547363.db2.gz SRLDJIKCWXDEFS-SFHVURJKSA-N -1 3 397.504 3.939 20 0 GHADHM CSc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000826231008 608547364 /nfs/dbraw/zinc/54/73/64/608547364.db2.gz SRLDJIKCWXDEFS-SFHVURJKSA-N -1 3 397.504 3.939 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc2ccccc2s1 ZINC000826460086 608571104 /nfs/dbraw/zinc/57/11/04/608571104.db2.gz MHHXIWCACNRWFG-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc2ccccc2s1 ZINC000826460086 608571106 /nfs/dbraw/zinc/57/11/06/608571106.db2.gz MHHXIWCACNRWFG-UHFFFAOYSA-N -1 3 376.445 3.608 20 0 GHADHM O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456616 608572295 /nfs/dbraw/zinc/57/22/95/608572295.db2.gz OLBACDRIZZBFJM-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456616 608572296 /nfs/dbraw/zinc/57/22/96/608572296.db2.gz OLBACDRIZZBFJM-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000824319684 608581923 /nfs/dbraw/zinc/58/19/23/608581923.db2.gz YQFUNRCOTOSYBW-UHFFFAOYSA-N -1 3 390.447 3.707 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000824319684 608581925 /nfs/dbraw/zinc/58/19/25/608581925.db2.gz YQFUNRCOTOSYBW-UHFFFAOYSA-N -1 3 390.447 3.707 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826306290 608633570 /nfs/dbraw/zinc/63/35/70/608633570.db2.gz VKZIVSCQEPFGFV-UHFFFAOYSA-N -1 3 393.520 3.671 20 0 GHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826306290 608633574 /nfs/dbraw/zinc/63/35/74/608633574.db2.gz VKZIVSCQEPFGFV-UHFFFAOYSA-N -1 3 393.520 3.671 20 0 GHADHM c1sc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000826519902 608676778 /nfs/dbraw/zinc/67/67/78/608676778.db2.gz SWIGCCXBXPERBU-MRXNPFEDSA-N -1 3 393.476 3.705 20 0 GHADHM c1sc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000826519902 608676780 /nfs/dbraw/zinc/67/67/80/608676780.db2.gz SWIGCCXBXPERBU-MRXNPFEDSA-N -1 3 393.476 3.705 20 0 GHADHM CC1(C)CC[C@@H](CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000824795629 608823837 /nfs/dbraw/zinc/82/38/37/608823837.db2.gz BCZHBJXBJRUGGE-LBPRGKRZSA-N -1 3 396.882 3.500 20 0 GHADHM CC1(C)CC[C@@H](CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000824795629 608823840 /nfs/dbraw/zinc/82/38/40/608823840.db2.gz BCZHBJXBJRUGGE-LBPRGKRZSA-N -1 3 396.882 3.500 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825012089 608824915 /nfs/dbraw/zinc/82/49/15/608824915.db2.gz DHKJYNPMOIUEQH-LLFZRSNRSA-N -1 3 377.423 3.553 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825012089 608824917 /nfs/dbraw/zinc/82/49/17/608824917.db2.gz DHKJYNPMOIUEQH-LLFZRSNRSA-N -1 3 377.423 3.553 20 0 GHADHM Cc1cccc(CN(Cc2cc(-c3nnn[n-]3)cs2)Cc2cccc(C)n2)n1 ZINC000826298465 608832032 /nfs/dbraw/zinc/83/20/32/608832032.db2.gz UCELYXFYDWLPIQ-UHFFFAOYSA-N -1 3 391.504 3.537 20 0 GHADHM Cc1cccc(CN(Cc2cc(-c3nn[n-]n3)cs2)Cc2cccc(C)n2)n1 ZINC000826298465 608832033 /nfs/dbraw/zinc/83/20/33/608832033.db2.gz UCELYXFYDWLPIQ-UHFFFAOYSA-N -1 3 391.504 3.537 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cccc(CNc3cccc(-c4nnn[n-]4)c3)c21 ZINC000824109920 608870540 /nfs/dbraw/zinc/87/05/40/608870540.db2.gz ZEHWXVZQZWHVJM-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cccc(CNc3cccc(-c4nn[n-]n4)c3)c21 ZINC000824109920 608870545 /nfs/dbraw/zinc/87/05/45/608870545.db2.gz ZEHWXVZQZWHVJM-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826420380 609139725 /nfs/dbraw/zinc/13/97/25/609139725.db2.gz KCXPZXDHZLHVKM-VEGGFIAOSA-N -1 3 391.500 3.663 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826420380 609139727 /nfs/dbraw/zinc/13/97/27/609139727.db2.gz KCXPZXDHZLHVKM-VEGGFIAOSA-N -1 3 391.500 3.663 20 0 GHADHM Cc1cscc1C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826321132 609168956 /nfs/dbraw/zinc/16/89/56/609168956.db2.gz RLWGXLOALWZICC-UHFFFAOYSA-N -1 3 378.461 3.896 20 0 GHADHM Cc1cscc1C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826321132 609168958 /nfs/dbraw/zinc/16/89/58/609168958.db2.gz RLWGXLOALWZICC-UHFFFAOYSA-N -1 3 378.461 3.896 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccc(C)cc2)no1 ZINC000825481058 609179092 /nfs/dbraw/zinc/17/90/92/609179092.db2.gz SWPILKSENMEEGP-UHFFFAOYSA-N -1 3 375.436 3.874 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cccc(O)c1 ZINC000826272046 609212560 /nfs/dbraw/zinc/21/25/60/609212560.db2.gz RTUXGBZAOZZESA-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000826469197 609218011 /nfs/dbraw/zinc/21/80/11/609218011.db2.gz XRUCWYGTZKYOHT-UHFFFAOYSA-N -1 3 386.459 3.933 20 0 GHADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000826469197 609218012 /nfs/dbraw/zinc/21/80/12/609218012.db2.gz XRUCWYGTZKYOHT-UHFFFAOYSA-N -1 3 386.459 3.933 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000825599887 609240374 /nfs/dbraw/zinc/24/03/74/609240374.db2.gz TYIMDCAFOVQWCL-INIZCTEOSA-N -1 3 381.480 3.901 20 0 GHADHM CCOCCOCc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000825599887 609240375 /nfs/dbraw/zinc/24/03/75/609240375.db2.gz TYIMDCAFOVQWCL-INIZCTEOSA-N -1 3 381.480 3.901 20 0 GHADHM Fc1ccccc1-n1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000826378029 609253562 /nfs/dbraw/zinc/25/35/62/609253562.db2.gz RJPSLEVTKIJYGV-SFHVURJKSA-N -1 3 375.411 3.681 20 0 GHADHM Fc1ccccc1-n1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000826378029 609253563 /nfs/dbraw/zinc/25/35/63/609253563.db2.gz RJPSLEVTKIJYGV-SFHVURJKSA-N -1 3 375.411 3.681 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1-c1cccc(Cl)c1 ZINC000826249596 609253784 /nfs/dbraw/zinc/25/37/84/609253784.db2.gz KUPLEFDSFORXQG-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1-c1cccc(Cl)c1 ZINC000826249596 609253786 /nfs/dbraw/zinc/25/37/86/609253786.db2.gz KUPLEFDSFORXQG-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCc1cc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)no1 ZINC000825700646 609265955 /nfs/dbraw/zinc/26/59/55/609265955.db2.gz NOBYWGRLACWIOQ-UHFFFAOYSA-N -1 3 376.420 3.608 20 0 GHADHM CCc1cc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)no1 ZINC000825700646 609265956 /nfs/dbraw/zinc/26/59/56/609265956.db2.gz NOBYWGRLACWIOQ-UHFFFAOYSA-N -1 3 376.420 3.608 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826269607 609276715 /nfs/dbraw/zinc/27/67/15/609276715.db2.gz RDVGGWQFZKMDFX-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826269607 609276716 /nfs/dbraw/zinc/27/67/16/609276716.db2.gz RDVGGWQFZKMDFX-OAHLLOKOSA-N -1 3 380.521 3.901 20 0 GHADHM C[C@H]1COCCN1c1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825006919 609279675 /nfs/dbraw/zinc/27/96/75/609279675.db2.gz SOVATVSZVPFPCC-BTYIYWSLSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@H]1COCCN1c1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825006919 609279676 /nfs/dbraw/zinc/27/96/76/609279676.db2.gz SOVATVSZVPFPCC-BTYIYWSLSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@@H]1COCCN1c1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825006920 609279807 /nfs/dbraw/zinc/27/98/07/609279807.db2.gz SOVATVSZVPFPCC-QVKFZJNVSA-N -1 3 390.491 3.581 20 0 GHADHM C[C@@H]1COCCN1c1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825006920 609279808 /nfs/dbraw/zinc/27/98/08/609279808.db2.gz SOVATVSZVPFPCC-QVKFZJNVSA-N -1 3 390.491 3.581 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826155396 609315031 /nfs/dbraw/zinc/31/50/31/609315031.db2.gz ORRLQRRBIUSEEC-AWEZNQCLSA-N -1 3 395.463 3.969 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826155396 609315033 /nfs/dbraw/zinc/31/50/33/609315033.db2.gz ORRLQRRBIUSEEC-AWEZNQCLSA-N -1 3 395.463 3.969 20 0 GHADHM Brc1cc(-c2nnn[n-]2)ccc1COc1ccc2ncccc2c1 ZINC000823820566 609326353 /nfs/dbraw/zinc/32/63/53/609326353.db2.gz HZYQHRZJHOXERZ-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1COc1ccc2ncccc2c1 ZINC000823820566 609326354 /nfs/dbraw/zinc/32/63/54/609326354.db2.gz HZYQHRZJHOXERZ-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM C[C@@H](NCc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617275 609329220 /nfs/dbraw/zinc/32/92/20/609329220.db2.gz FYWLELWWIKCWOA-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617275 609329222 /nfs/dbraw/zinc/32/92/22/609329222.db2.gz FYWLELWWIKCWOA-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1ccc(Cl)cn1 ZINC000826369431 609329340 /nfs/dbraw/zinc/32/93/40/609329340.db2.gz BVTURAYWMLRDGJ-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1ccc(Cl)cn1 ZINC000826369431 609329342 /nfs/dbraw/zinc/32/93/42/609329342.db2.gz BVTURAYWMLRDGJ-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429391 609331048 /nfs/dbraw/zinc/33/10/48/609331048.db2.gz BFPIZAVJRPBNHS-ZDUSSCGKSA-N -1 3 399.401 3.967 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429391 609331050 /nfs/dbraw/zinc/33/10/50/609331050.db2.gz BFPIZAVJRPBNHS-ZDUSSCGKSA-N -1 3 399.401 3.967 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCS[C@H](C)c1nc2ccccc2o1 ZINC000826176512 609331549 /nfs/dbraw/zinc/33/15/49/609331549.db2.gz SLBFQDOMHQOKKM-GFCCVEGCSA-N -1 3 397.460 3.890 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCS[C@H](C)c1nc2ccccc2o1 ZINC000826176512 609331550 /nfs/dbraw/zinc/33/15/50/609331550.db2.gz SLBFQDOMHQOKKM-GFCCVEGCSA-N -1 3 397.460 3.890 20 0 GHADHM Fc1ccccc1C1(NCc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000826377663 609369532 /nfs/dbraw/zinc/36/95/32/609369532.db2.gz AEFSTBVQGJWYMS-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM Fc1ccccc1C1(NCc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826377663 609369535 /nfs/dbraw/zinc/36/95/35/609369535.db2.gz AEFSTBVQGJWYMS-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)s2)o1 ZINC000826273774 609382096 /nfs/dbraw/zinc/38/20/96/609382096.db2.gz SXDBZCIEALGWSW-UHFFFAOYSA-N -1 3 383.408 3.912 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)s2)o1 ZINC000826273774 609382098 /nfs/dbraw/zinc/38/20/98/609382098.db2.gz SXDBZCIEALGWSW-UHFFFAOYSA-N -1 3 383.408 3.912 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCC2)nc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825830814 609394857 /nfs/dbraw/zinc/39/48/57/609394857.db2.gz YKIHQNSDABPTIS-UHFFFAOYSA-N -1 3 398.854 3.513 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCC2)nc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825830814 609394860 /nfs/dbraw/zinc/39/48/60/609394860.db2.gz YKIHQNSDABPTIS-UHFFFAOYSA-N -1 3 398.854 3.513 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825184256 609396876 /nfs/dbraw/zinc/39/68/76/609396876.db2.gz ROWYPOLXERAWEI-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825184256 609396879 /nfs/dbraw/zinc/39/68/79/609396879.db2.gz ROWYPOLXERAWEI-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1-c1nnn[n-]1 ZINC000826231232 609397897 /nfs/dbraw/zinc/39/78/97/609397897.db2.gz CNUMUEIKHOCREL-MPBGBICISA-N -1 3 398.536 3.513 20 0 GHADHM Cc1noc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1C ZINC000826340313 609404963 /nfs/dbraw/zinc/40/49/63/609404963.db2.gz RUVMCRUZEGPYMU-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1noc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1C ZINC000826340313 609404966 /nfs/dbraw/zinc/40/49/66/609404966.db2.gz RUVMCRUZEGPYMU-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917119 609432139 /nfs/dbraw/zinc/43/21/39/609432139.db2.gz MBKUIPSDBHCHKA-BTDLBPIBSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917119 609432142 /nfs/dbraw/zinc/43/21/42/609432142.db2.gz MBKUIPSDBHCHKA-BTDLBPIBSA-N -1 3 380.279 3.826 20 0 GHADHM Cc1nnc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826335526 609451465 /nfs/dbraw/zinc/45/14/65/609451465.db2.gz QJECELZAOVWIEZ-STQMWFEESA-N -1 3 375.436 3.637 20 0 GHADHM Cc1nnc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826335526 609451469 /nfs/dbraw/zinc/45/14/69/609451469.db2.gz QJECELZAOVWIEZ-STQMWFEESA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)nn1-c1ccccc1Cl ZINC000826271321 609481645 /nfs/dbraw/zinc/48/16/45/609481645.db2.gz MYWNDUCITKDCKS-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)nn1-c1ccccc1Cl ZINC000826271321 609481647 /nfs/dbraw/zinc/48/16/47/609481647.db2.gz MYWNDUCITKDCKS-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccccc1 ZINC000826232133 609490732 /nfs/dbraw/zinc/49/07/32/609490732.db2.gz QTOXTIJTSKNIBO-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1Br ZINC000826421233 609491850 /nfs/dbraw/zinc/49/18/50/609491850.db2.gz YAWVGMACKGOPKY-UHFFFAOYSA-N -1 3 389.278 3.533 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1Br ZINC000826421233 609491852 /nfs/dbraw/zinc/49/18/52/609491852.db2.gz YAWVGMACKGOPKY-UHFFFAOYSA-N -1 3 389.278 3.533 20 0 GHADHM CC(C)Oc1ccc(NCc2c(Cl)nc3ccccn32)cc1-c1nnn[n-]1 ZINC000824329574 609492352 /nfs/dbraw/zinc/49/23/52/609492352.db2.gz RKKGWPVXZOWINA-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CC(C)Oc1ccc(NCc2c(Cl)nc3ccccn32)cc1-c1nn[n-]n1 ZINC000824329574 609492354 /nfs/dbraw/zinc/49/23/54/609492354.db2.gz RKKGWPVXZOWINA-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825180668 609504353 /nfs/dbraw/zinc/50/43/53/609504353.db2.gz ABZSHNRGTZBAHL-ZWKOTPCHSA-N -1 3 378.432 3.644 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825180668 609504356 /nfs/dbraw/zinc/50/43/56/609504356.db2.gz ABZSHNRGTZBAHL-ZWKOTPCHSA-N -1 3 378.432 3.644 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825255562 609506402 /nfs/dbraw/zinc/50/64/02/609506402.db2.gz XLBICXKURQHPJF-HUUCEWRRSA-N -1 3 398.492 3.524 20 0 GHADHM CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825255562 609506403 /nfs/dbraw/zinc/50/64/03/609506403.db2.gz XLBICXKURQHPJF-HUUCEWRRSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825181041 609531615 /nfs/dbraw/zinc/53/16/15/609531615.db2.gz BSVKZYQVUHBZBI-ZBFHGGJFSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825181041 609531617 /nfs/dbraw/zinc/53/16/17/609531617.db2.gz BSVKZYQVUHBZBI-ZBFHGGJFSA-N -1 3 393.447 3.803 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000824148411 609531696 /nfs/dbraw/zinc/53/16/96/609531696.db2.gz UAZVOPSADCPUCR-INIZCTEOSA-N -1 3 394.479 3.570 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000824148411 609531699 /nfs/dbraw/zinc/53/16/99/609531699.db2.gz UAZVOPSADCPUCR-INIZCTEOSA-N -1 3 394.479 3.570 20 0 GHADHM Cc1c(Cl)cnc(NCc2cc(Br)cs2)c1-c1nnn[n-]1 ZINC000826240417 609535799 /nfs/dbraw/zinc/53/57/99/609535799.db2.gz RMPQHQGXYQOVLC-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM Cc1c(Cl)cnc(NCc2cc(Br)cs2)c1-c1nn[n-]n1 ZINC000826240417 609535801 /nfs/dbraw/zinc/53/58/01/609535801.db2.gz RMPQHQGXYQOVLC-UHFFFAOYSA-N -1 3 385.678 3.660 20 0 GHADHM Cc1sc(CCNc2nccc(C)c2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000826314244 609574579 /nfs/dbraw/zinc/57/45/79/609574579.db2.gz MVPZSVSXBXPGME-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM Cc1sc(CCNc2nccc(C)c2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000826314244 609574581 /nfs/dbraw/zinc/57/45/81/609574581.db2.gz MVPZSVSXBXPGME-UHFFFAOYSA-N -1 3 377.477 3.657 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc(Cc2ccccc2)cs1 ZINC000826402631 609586119 /nfs/dbraw/zinc/58/61/19/609586119.db2.gz YNORDOKKKXFMLQ-ZHACJKMWSA-N -1 3 388.456 3.566 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(Cc2ccccc2)cs1 ZINC000826402631 609586121 /nfs/dbraw/zinc/58/61/21/609586121.db2.gz YNORDOKKKXFMLQ-ZHACJKMWSA-N -1 3 388.456 3.566 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1C ZINC000826331819 609587292 /nfs/dbraw/zinc/58/72/92/609587292.db2.gz ZDBODFCVJOHAQR-CHWSQXEVSA-N -1 3 393.495 3.680 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825181655 609591022 /nfs/dbraw/zinc/59/10/22/609591022.db2.gz FMMYEHHXUDGMJG-CVEARBPZSA-N -1 3 394.431 3.770 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825181655 609591023 /nfs/dbraw/zinc/59/10/23/609591023.db2.gz FMMYEHHXUDGMJG-CVEARBPZSA-N -1 3 394.431 3.770 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824492477 609606110 /nfs/dbraw/zinc/60/61/10/609606110.db2.gz ZJUAZQJLSAQYJZ-VLGAGPDHSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824492477 609606111 /nfs/dbraw/zinc/60/61/11/609606111.db2.gz ZJUAZQJLSAQYJZ-VLGAGPDHSA-N -1 3 388.475 3.815 20 0 GHADHM O=C(CCCOCc1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826406147 609613176 /nfs/dbraw/zinc/61/31/76/609613176.db2.gz KKCIOXWUQXOQAL-UHFFFAOYSA-N -1 3 386.839 3.560 20 0 GHADHM O=C(CCCOCc1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826406147 609613178 /nfs/dbraw/zinc/61/31/78/609613178.db2.gz KKCIOXWUQXOQAL-UHFFFAOYSA-N -1 3 386.839 3.560 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1csc(-c2ccoc2)n1 ZINC000826465379 609616824 /nfs/dbraw/zinc/61/68/24/609616824.db2.gz KNGFIDAOCYSYCQ-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1csc(-c2ccoc2)n1 ZINC000826465379 609616826 /nfs/dbraw/zinc/61/68/26/609616826.db2.gz KNGFIDAOCYSYCQ-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM C[C@H](C1CC1)N(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000545292703 837405440 /nfs/dbraw/zinc/40/54/40/837405440.db2.gz GEVMAAQYSILDEC-SNVBAGLBSA-N -1 3 375.266 3.694 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)n[n-]2)o1 ZINC000177992525 837503169 /nfs/dbraw/zinc/50/31/69/837503169.db2.gz RLMDTNGYHAACAH-HNNXBMFYSA-N -1 3 382.342 3.789 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)[n-]n2)o1 ZINC000177992525 837503174 /nfs/dbraw/zinc/50/31/74/837503174.db2.gz RLMDTNGYHAACAH-HNNXBMFYSA-N -1 3 382.342 3.789 20 0 GHADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc([O-])ccc3Cl)cn2)c1 ZINC000431788993 837519550 /nfs/dbraw/zinc/51/95/50/837519550.db2.gz PEXKOVFBCSGZES-UHFFFAOYSA-N -1 3 383.791 3.584 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(SC)c2)cc1 ZINC000414388372 837576334 /nfs/dbraw/zinc/57/63/34/837576334.db2.gz LQJOZKWWINYJLQ-UHFFFAOYSA-N -1 3 397.518 3.633 20 0 GHADHM CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000613335214 837674392 /nfs/dbraw/zinc/67/43/92/837674392.db2.gz AEQAOGYVTDEMHA-AWEZNQCLSA-N -1 3 395.500 3.901 20 0 GHADHM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(F)c1 ZINC000414393662 837683633 /nfs/dbraw/zinc/68/36/33/837683633.db2.gz GSWREDMFCCMNJI-UHFFFAOYSA-N -1 3 378.469 3.626 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000173329074 837686372 /nfs/dbraw/zinc/68/63/72/837686372.db2.gz TXEWFOVEPFAKHQ-SJKOYZFVSA-N -1 3 381.432 3.731 20 0 GHADHM Cc1cc(C)n2nc(C(=O)[N-]c3ccccc3SCC(F)(F)F)nc2n1 ZINC000025089178 837791366 /nfs/dbraw/zinc/79/13/66/837791366.db2.gz LXCWFTWRVCFKCH-UHFFFAOYSA-N -1 3 381.383 3.648 20 0 GHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000536085885 834757090 /nfs/dbraw/zinc/75/70/90/834757090.db2.gz ORDLMNMSJGWQMU-SECBINFHSA-N -1 3 395.399 3.846 20 0 GHADHM CCOc1c(Cl)cccc1CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784925058 834860652 /nfs/dbraw/zinc/86/06/52/834860652.db2.gz KWEYYTWKPBYDSB-UHFFFAOYSA-N -1 3 388.807 3.780 20 0 GHADHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCO1 ZINC000935277291 834872965 /nfs/dbraw/zinc/87/29/65/834872965.db2.gz JYLDXSUAYSJXRC-KPZWWZAWSA-N -1 3 378.419 3.520 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(OC)c(OC)cc2SC)cc1 ZINC000683170804 834905431 /nfs/dbraw/zinc/90/54/31/834905431.db2.gz BAVHUYCBJBEYCE-MRXNPFEDSA-N -1 3 391.489 3.740 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCc3ccncc3)cc2)cc1 ZINC000683172010 834909213 /nfs/dbraw/zinc/90/92/13/834909213.db2.gz SZOWVVDHOBPBDX-JOCHJYFZSA-N -1 3 392.455 3.975 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000683173836 834917362 /nfs/dbraw/zinc/91/73/62/834917362.db2.gz LJBBFTULVGTKGG-INIZCTEOSA-N -1 3 387.233 3.618 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1c(Cl)cccc1Cl ZINC000047031927 834952763 /nfs/dbraw/zinc/95/27/63/834952763.db2.gz DBHXCAALTSQFRG-CQSZACIVSA-N -1 3 389.304 3.702 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c(-c2ccccc2)s1 ZINC001211493992 834994040 /nfs/dbraw/zinc/99/40/40/834994040.db2.gz GFGAEGDTRLWLLY-UKRRQHHQSA-N -1 3 380.535 3.602 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c(-c2ccccc2)s1 ZINC001211493993 834994450 /nfs/dbraw/zinc/99/44/50/834994450.db2.gz GFGAEGDTRLWLLY-ZFWWWQNUSA-N -1 3 380.535 3.602 20 0 GHADHM O=S(=O)(Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1)C1CCCCC1 ZINC000274758394 835044820 /nfs/dbraw/zinc/04/48/20/835044820.db2.gz CZSGLDTYOVMSIS-SFHVURJKSA-N -1 3 396.509 3.514 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000274758394 835044830 /nfs/dbraw/zinc/04/48/30/835044830.db2.gz CZSGLDTYOVMSIS-SFHVURJKSA-N -1 3 396.509 3.514 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)N[N-]C(=O)c1c(O)cccc1Cl ZINC000141498555 835090541 /nfs/dbraw/zinc/09/05/41/835090541.db2.gz DLUPZGBOEHDEOQ-UHFFFAOYSA-N -1 3 396.830 3.553 20 0 GHADHM CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000430227384 835262902 /nfs/dbraw/zinc/26/29/02/835262902.db2.gz RDHVMUQZVJPKMR-UHFFFAOYSA-N -1 3 378.447 3.869 20 0 GHADHM O=C1[N-]C(=O)/C(=C\N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc21 ZINC000254949002 835372352 /nfs/dbraw/zinc/37/23/52/835372352.db2.gz YAYIEFVWTQHCCP-DDITZMBXSA-N -1 3 378.325 3.720 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 ZINC000648212443 835587493 /nfs/dbraw/zinc/58/74/93/835587493.db2.gz UHLREDYAKCXQON-UHFFFAOYSA-N -1 3 386.429 3.794 20 0 GHADHM COCCOc1c(Cl)cc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000274854236 835697384 /nfs/dbraw/zinc/69/73/84/835697384.db2.gz GOWCYTSMZIGTRJ-CYBMUJFWSA-N -1 3 379.240 3.598 20 0 GHADHM COCCOc1c(Cl)cc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000274854236 835697387 /nfs/dbraw/zinc/69/73/87/835697387.db2.gz GOWCYTSMZIGTRJ-CYBMUJFWSA-N -1 3 379.240 3.598 20 0 GHADHM CC(C)(C(=O)NCc1ncccc1[O-])c1csc(-c2c(F)cccc2F)n1 ZINC000510132348 835744244 /nfs/dbraw/zinc/74/42/44/835744244.db2.gz KCASLXPNWCAHQR-UHFFFAOYSA-N -1 3 389.427 3.783 20 0 GHADHM CS[C@@H]1CCCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000134615143 835768945 /nfs/dbraw/zinc/76/89/45/835768945.db2.gz UZHHULLZYJXJSG-GFCCVEGCSA-N -1 3 375.519 3.962 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cccc(Br)c1 ZINC000431636048 835929949 /nfs/dbraw/zinc/92/99/49/835929949.db2.gz NPDKYZJTZSCOGR-CYBMUJFWSA-N -1 3 376.222 3.734 20 0 GHADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@@H](C)O1 ZINC001211632241 835955736 /nfs/dbraw/zinc/95/57/36/835955736.db2.gz ISPCUPIROFAJNF-ZIAGYGMSSA-N -1 3 380.535 3.682 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCN(c2nccs2)CC1 ZINC000172650395 835974838 /nfs/dbraw/zinc/97/48/38/835974838.db2.gz NKONWCYWNYSZAW-UHFFFAOYSA-N -1 3 395.484 3.994 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150844453 836009080 /nfs/dbraw/zinc/00/90/80/836009080.db2.gz RLYIHUAGIIFGLV-GOSISDBHSA-N -1 3 388.489 3.558 20 0 GHADHM NC(=O)CSc1ccccc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000047443384 836195963 /nfs/dbraw/zinc/19/59/63/836195963.db2.gz GNFQQAGFFXHVOJ-UHFFFAOYSA-N -1 3 387.848 3.825 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC[C@H]1O ZINC000509894663 844144911 /nfs/dbraw/zinc/14/49/11/844144911.db2.gz PPBUJXZMNWWLIH-KGLIPLIRSA-N -1 3 385.835 3.578 20 0 GHADHM COc1cc(CNCc2ncc(Br)cc2[O-])ccc1OC(C)C ZINC000892541670 836306958 /nfs/dbraw/zinc/30/69/58/836306958.db2.gz DTDIEJJBTLSIAC-UHFFFAOYSA-N -1 3 381.270 3.635 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429977355 844155746 /nfs/dbraw/zinc/15/57/46/844155746.db2.gz APSILOUHVCUXCV-XUJVJEKNSA-N -1 3 377.286 3.704 20 0 GHADHM C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174209597 836399531 /nfs/dbraw/zinc/39/95/31/836399531.db2.gz XZZUUWGMUSEVMU-NSHDSACASA-N -1 3 394.240 3.819 20 0 GHADHM O=C(NC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl)Nc1ccccc1 ZINC000685786077 836438095 /nfs/dbraw/zinc/43/80/95/836438095.db2.gz SQPOKUMZJYOESN-OAHLLOKOSA-N -1 3 387.867 3.862 20 0 GHADHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000570129483 836438930 /nfs/dbraw/zinc/43/89/30/836438930.db2.gz CEZIQRQFOTUEHR-UHFFFAOYSA-N -1 3 390.402 3.804 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c2cc(Br)ccc2n1 ZINC000511359143 836487650 /nfs/dbraw/zinc/48/76/50/836487650.db2.gz DRKSWDPUJMHNOF-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)(C)C)cc2)c(C)c1 ZINC000052025151 844177981 /nfs/dbraw/zinc/17/79/81/844177981.db2.gz DVCITSYZLSYINB-UHFFFAOYSA-N -1 3 395.546 3.818 20 0 GHADHM CCOc1ccc(-c2nc(NC(=O)c3ccc(C(=O)OC)[n-]3)sc2C)cc1 ZINC000431675625 836687340 /nfs/dbraw/zinc/68/73/40/836687340.db2.gz YPFDTKVPXOXLAG-UHFFFAOYSA-N -1 3 385.445 3.884 20 0 GHADHM Cc1cncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000175194580 836699467 /nfs/dbraw/zinc/69/94/67/836699467.db2.gz SSSZGIJGDLKOPA-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000275321810 836712210 /nfs/dbraw/zinc/71/22/10/836712210.db2.gz TVPLRTXYRXPZQL-NJYVYQBISA-N -1 3 379.504 3.916 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612755078 836720125 /nfs/dbraw/zinc/72/01/25/836720125.db2.gz XQNIXHKOAWULJH-DOMZBBRYSA-N -1 3 397.656 3.919 20 0 GHADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000510198040 836725299 /nfs/dbraw/zinc/72/52/99/836725299.db2.gz NIGSMMSNYLAOEE-SNVBAGLBSA-N -1 3 384.723 3.586 20 0 GHADHM CCOc1ccc([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC000119660090 836913898 /nfs/dbraw/zinc/91/38/98/836913898.db2.gz LMYBVNNUQXPLTC-ZDUSSCGKSA-N -1 3 393.443 3.927 20 0 GHADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000473328396 844214794 /nfs/dbraw/zinc/21/47/94/844214794.db2.gz PCSSEHXALXKKEJ-UHFFFAOYSA-N -1 3 396.874 3.808 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC000175620788 836921402 /nfs/dbraw/zinc/92/14/02/836921402.db2.gz QYHHJMCRYJESAJ-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM CCOC(=O)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(F)c1 ZINC000472577856 836940151 /nfs/dbraw/zinc/94/01/51/836940151.db2.gz DASZDDMFKFXLQD-FQEVSTJZSA-N -1 3 397.402 3.727 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2c[nH]c3ncc(Br)cc23)[nH][n-]1 ZINC000472488995 837131051 /nfs/dbraw/zinc/13/10/51/837131051.db2.gz ZHTPQZVHGNRWFQ-UHFFFAOYSA-N -1 3 396.248 3.698 20 0 GHADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000176117871 837190057 /nfs/dbraw/zinc/19/00/57/837190057.db2.gz VVPFGDZXDPUMOY-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM Cc1noc(C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2)n1 ZINC000430427754 837290740 /nfs/dbraw/zinc/29/07/40/837290740.db2.gz TUOKAEXVKFNRGS-SFHVURJKSA-N -1 3 383.423 3.646 20 0 GHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000063148780 844261744 /nfs/dbraw/zinc/26/17/44/844261744.db2.gz OEPMURXBZBZNQC-UHFFFAOYSA-N -1 3 384.860 3.762 20 0 GHADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000613161307 837329167 /nfs/dbraw/zinc/32/91/67/837329167.db2.gz VVGCAUPDWCTUGP-BDAKNGLRSA-N -1 3 388.169 3.622 20 0 GHADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000613161321 837329249 /nfs/dbraw/zinc/32/92/49/837329249.db2.gz VVGCAUPDWCTUGP-IUCAKERBSA-N -1 3 388.169 3.622 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3nc(-c4ccccc4F)oc3C)nc21 ZINC000162543655 837346751 /nfs/dbraw/zinc/34/67/51/837346751.db2.gz MJXZVGKBEQIMTF-UHFFFAOYSA-N -1 3 394.362 3.704 20 0 GHADHM CCOc1cc(C(=O)NC[C@@H](c2ccco2)N(CC)CC)cc(Cl)c1[O-] ZINC000186713912 837383838 /nfs/dbraw/zinc/38/38/38/837383838.db2.gz HMUQZJAQRAJOKS-HNNXBMFYSA-N -1 3 380.872 3.850 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](c4nncn4C4CC4)C3)c2c1 ZINC000579956264 838031481 /nfs/dbraw/zinc/03/14/81/838031481.db2.gz IPWYODGGPOJZCA-CQSZACIVSA-N -1 3 377.448 3.552 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](OCC4CC4)C3)cc2)cc(=O)[n-]1 ZINC000547975215 838155969 /nfs/dbraw/zinc/15/59/69/838155969.db2.gz QXUKAUMEEBLIEU-SFHVURJKSA-N -1 3 382.464 3.581 20 0 GHADHM CC(=O)OCCCc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000166201849 838322087 /nfs/dbraw/zinc/32/20/87/838322087.db2.gz OLUKFUWYQHNMNH-UHFFFAOYSA-N -1 3 396.418 3.724 20 0 GHADHM COc1cc(-c2nc(CCCc3c(F)cccc3F)no2)cc(OC)c1[O-] ZINC000656030428 838520101 /nfs/dbraw/zinc/52/01/01/838520101.db2.gz KLIFGGKVXRKPFF-UHFFFAOYSA-N -1 3 376.359 3.913 20 0 GHADHM CC1CCN([C@@H](CN=c2[n-]nc(C3CCOCC3)s2)c2cccs2)CC1 ZINC000549111641 838522666 /nfs/dbraw/zinc/52/26/66/838522666.db2.gz WGUVULIRLQZFGW-INIZCTEOSA-N -1 3 392.594 3.801 20 0 GHADHM CC[C@@H](CSC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180179551 838558826 /nfs/dbraw/zinc/55/88/26/838558826.db2.gz OIOCKMKHMKYEOA-PKOBYXMFSA-N -1 3 386.517 3.511 20 0 GHADHM COc1cc(-c2nc(-c3cc(N4CCCCC4)ccn3)no2)cc(OC)c1[O-] ZINC000656056935 838611406 /nfs/dbraw/zinc/61/14/06/838611406.db2.gz XVZWYXKRKWOMGM-UHFFFAOYSA-N -1 3 382.420 3.512 20 0 GHADHM C[C@@H](c1nc(-c2cccnc2)no1)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659797794 838680435 /nfs/dbraw/zinc/68/04/35/838680435.db2.gz PHBUIAXYXQIESK-VUCTXSBTSA-N -1 3 398.850 3.646 20 0 GHADHM O=C([O-])c1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c(Br)c1 ZINC000659805648 838688424 /nfs/dbraw/zinc/68/84/24/838688424.db2.gz WWCIWUJQSKTSIP-HDICACEKSA-N -1 3 380.282 3.540 20 0 GHADHM C[C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097718 838711007 /nfs/dbraw/zinc/71/10/07/838711007.db2.gz CQJRMIJKWYXZGH-KGYLQXTDSA-N -1 3 397.306 3.799 20 0 GHADHM O=C([O-])c1cccc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000414639638 838724266 /nfs/dbraw/zinc/72/42/66/838724266.db2.gz PXOJPIAQNVTSPA-INIZCTEOSA-N -1 3 393.270 3.977 20 0 GHADHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549412930 838788044 /nfs/dbraw/zinc/78/80/44/838788044.db2.gz FPXRTUQHMJCMMC-MRXNPFEDSA-N -1 3 389.464 3.556 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)[n-]n1 ZINC000181755123 838886482 /nfs/dbraw/zinc/88/64/82/838886482.db2.gz UZZPBQCBMIXCDH-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)n[n-]1 ZINC000181755123 838886492 /nfs/dbraw/zinc/88/64/92/838886492.db2.gz UZZPBQCBMIXCDH-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM O=C(CCc1ccc(OC(F)F)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783001236 838900375 /nfs/dbraw/zinc/90/03/75/838900375.db2.gz KOKGTKUKWKUUTA-UHFFFAOYSA-N -1 3 390.342 3.720 20 0 GHADHM CC[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183243008 838920621 /nfs/dbraw/zinc/92/06/21/838920621.db2.gz PZJDREZRQIPZQU-LAUBAEHRSA-N -1 3 380.488 3.902 20 0 GHADHM C[C@@H]1[C@H](C)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C ZINC000416321733 838949049 /nfs/dbraw/zinc/94/90/49/838949049.db2.gz LOPRMMMYEJSCNH-VWXURSGXSA-N -1 3 380.488 3.756 20 0 GHADHM Cc1cccc(COc2cccc(CC(=O)N3CCCc4c(=O)[n-]cnc43)c2)c1 ZINC000893216450 838973286 /nfs/dbraw/zinc/97/32/86/838973286.db2.gz RKGKWLGPLQWHBI-UHFFFAOYSA-N -1 3 389.455 3.592 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1Cc2ccccc2C1 ZINC000183674755 839032979 /nfs/dbraw/zinc/03/29/79/839032979.db2.gz LJJGQWWEVUKZKL-QFIPXVFZSA-N -1 3 386.451 3.796 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000580234494 839092344 /nfs/dbraw/zinc/09/23/44/839092344.db2.gz SDGSIKOCGIVXGT-UHFFFAOYSA-N -1 3 389.402 3.552 20 0 GHADHM COc1ccc(N[C@H]2c3cccc(F)c3CC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000182727651 839141109 /nfs/dbraw/zinc/14/11/09/839141109.db2.gz RSEKKYHUYYZJRB-HXPMCKFVSA-N -1 3 378.469 3.941 20 0 GHADHM CCC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000182727470 839141236 /nfs/dbraw/zinc/14/12/36/839141236.db2.gz YXZNMYLHXMZEBF-MRXNPFEDSA-N -1 3 393.465 3.928 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)s1 ZINC000416415954 839185856 /nfs/dbraw/zinc/18/58/56/839185856.db2.gz JMVFAAPPWUXRLP-VIFPVBQESA-N -1 3 393.303 3.701 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)n(-c2ccccn2)n1 ZINC001125885522 839337076 /nfs/dbraw/zinc/33/70/76/839337076.db2.gz MGZMUIKXVMLTQK-UHFFFAOYSA-N -1 3 387.443 3.659 20 0 GHADHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1(F)F ZINC000660023259 839345885 /nfs/dbraw/zinc/34/58/85/839345885.db2.gz ZBHXGHVXNPGCFU-JTQLQIEISA-N -1 3 375.771 3.511 20 0 GHADHM COc1ccc([C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000728937840 844452024 /nfs/dbraw/zinc/45/20/24/844452024.db2.gz UNKPCGDDTDYLLY-NSHDSACASA-N -1 3 383.853 3.638 20 0 GHADHM COc1ccc(CCC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000580722523 840061520 /nfs/dbraw/zinc/06/15/20/840061520.db2.gz AEYTXGCPOPADKM-UHFFFAOYSA-N -1 3 381.476 3.553 20 0 GHADHM Cc1c(Br)ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1F ZINC000684070863 840231308 /nfs/dbraw/zinc/23/13/08/840231308.db2.gz XHWLSCURBVTQTD-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Cl)cc(Cl)n1 ZINC000185564197 840238630 /nfs/dbraw/zinc/23/86/30/840238630.db2.gz RXRUVJXVBAQYPU-UHFFFAOYSA-N -1 3 384.175 3.710 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000042349117 840251932 /nfs/dbraw/zinc/25/19/32/840251932.db2.gz SGWNOXCCMZYTRG-JOCHJYFZSA-N -1 3 389.499 3.810 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000433516503 844528893 /nfs/dbraw/zinc/52/88/93/844528893.db2.gz OIEGWDWXPRQGKG-PMACEKPBSA-N -1 3 375.490 3.732 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1csc(-c2ccccc2)n1 ZINC000500414293 840426337 /nfs/dbraw/zinc/42/63/37/840426337.db2.gz HGOSXWWCUSCERV-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM O=C(CCCNC(=O)c1ccsc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160698142 840460539 /nfs/dbraw/zinc/46/05/39/840460539.db2.gz ZMBGTTMAJGQCRB-UHFFFAOYSA-N -1 3 386.395 3.525 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000064374422 840647208 /nfs/dbraw/zinc/64/72/08/840647208.db2.gz GULRYTYBOBOYOI-UHFFFAOYSA-N -1 3 389.455 3.964 20 0 GHADHM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000047211406 840671569 /nfs/dbraw/zinc/67/15/69/840671569.db2.gz AJEKPZOHTCAVDW-UHFFFAOYSA-N -1 3 397.378 3.631 20 0 GHADHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(Cc4cccc(F)c4)n3)cs2)n1C ZINC000512564235 844577941 /nfs/dbraw/zinc/57/79/41/844577941.db2.gz ISZLTGVYWBVNKV-UHFFFAOYSA-N -1 3 396.451 3.557 20 0 GHADHM COc1cc(C[C@H](NCc2csc(Cl)c2Cl)C(=O)[O-])cc(OC)c1 ZINC000417574205 841012517 /nfs/dbraw/zinc/01/25/17/841012517.db2.gz RFEQEFSBMYBZAW-ZDUSSCGKSA-N -1 3 390.288 3.858 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000417582507 841027703 /nfs/dbraw/zinc/02/77/03/841027703.db2.gz INONGDXXFFRLIS-RNCFNFMXSA-N -1 3 378.694 3.849 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1C ZINC000512567769 844599911 /nfs/dbraw/zinc/59/99/11/844599911.db2.gz DJXMVFVORSNDAX-UHFFFAOYSA-N -1 3 375.368 3.746 20 0 GHADHM CCc1nn(C)c(CC)c1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000417594701 841042463 /nfs/dbraw/zinc/04/24/63/841042463.db2.gz WVXDBQKHIHXAAO-INIZCTEOSA-N -1 3 383.414 3.869 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl ZINC000684608809 844601934 /nfs/dbraw/zinc/60/19/34/844601934.db2.gz NBEWLWIVAGTARF-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM COc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Br ZINC000417623720 841063292 /nfs/dbraw/zinc/06/32/92/841063292.db2.gz PNGGTWGQERRWAU-GOEBONIOSA-N -1 3 376.250 3.861 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCC[C@H]3F)c2)cc1 ZINC000584858424 841094298 /nfs/dbraw/zinc/09/42/98/841094298.db2.gz BFISXAMKPMIWBY-MOPGFXCFSA-N -1 3 390.480 3.725 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(C(C)C)CC3)cs2)c1 ZINC000184010445 841104141 /nfs/dbraw/zinc/10/41/41/841104141.db2.gz UNPAROCZGGPFDM-UHFFFAOYSA-N -1 3 387.505 3.504 20 0 GHADHM Cc1ccc2nc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)cn2c1 ZINC000043925938 841133571 /nfs/dbraw/zinc/13/35/71/841133571.db2.gz VZLYHGXCZASJGG-UHFFFAOYSA-N -1 3 388.456 3.770 20 0 GHADHM O=c1[n-]nc(SCc2cc(-c3cccs3)on2)n1CCc1ccccc1 ZINC000018354877 841212273 /nfs/dbraw/zinc/21/22/73/841212273.db2.gz YHLLHNVTJDTQNJ-UHFFFAOYSA-N -1 3 384.486 3.823 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000500051112 841334353 /nfs/dbraw/zinc/33/43/53/841334353.db2.gz WMAOEEVHYDWULN-CXAGYDPISA-N -1 3 376.453 3.545 20 0 GHADHM C[C@H](NC(=O)C1CCC(c2ccccc2)CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647704778 841385846 /nfs/dbraw/zinc/38/58/46/841385846.db2.gz NJTPJZPISXXVIJ-XYCLOBBJSA-N -1 3 395.503 3.841 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)F)c(F)c1)c1ccc(Cl)cc1F ZINC000549531825 841441132 /nfs/dbraw/zinc/44/11/32/841441132.db2.gz RPRZUBHUCUDFDV-UHFFFAOYSA-N -1 3 383.750 3.698 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000656616697 841575887 /nfs/dbraw/zinc/57/58/87/841575887.db2.gz QIZRMOPBWKPBJW-GFCCVEGCSA-N -1 3 392.452 3.689 20 0 GHADHM N=c1[n-]nc(C2CCN(CCSc3ccnc4cc(Cl)ccc43)CC2)o1 ZINC000639739550 841777903 /nfs/dbraw/zinc/77/79/03/841777903.db2.gz QXSAJPRIPCOEKP-UHFFFAOYSA-N -1 3 389.912 3.655 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1C(=O)OC(C)(C)C ZINC000600197918 861236380 /nfs/dbraw/zinc/23/63/80/861236380.db2.gz UOKZZGYMUNVULB-GXTWGEPZSA-N -1 3 384.314 3.954 20 0 GHADHM Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)c(C)c1 ZINC000684337956 841793086 /nfs/dbraw/zinc/79/30/86/841793086.db2.gz KCJAEBFZSFRCIU-RXVVDRJESA-N -1 3 392.499 3.630 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000600199965 861242504 /nfs/dbraw/zinc/24/25/04/861242504.db2.gz DBTAKZWIGAYDND-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000600199965 861242516 /nfs/dbraw/zinc/24/25/16/861242516.db2.gz DBTAKZWIGAYDND-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000684356012 841866219 /nfs/dbraw/zinc/86/62/19/841866219.db2.gz NTBVNWUAVBVJNK-UHFFFAOYSA-N -1 3 396.878 3.721 20 0 GHADHM [O-]c1coc2cc(OC[C@@H](O)COC(c3ccccc3)c3ccccc3)ccc12 ZINC000555566860 861250201 /nfs/dbraw/zinc/25/02/01/861250201.db2.gz WFJINDMLCQJQDF-LJQANCHMSA-N -1 3 390.435 3.808 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)[C@H]2CCCC[C@H]12 ZINC000656762669 841899029 /nfs/dbraw/zinc/89/90/29/841899029.db2.gz BMAHFDCSNZPLKG-NFAWXSAZSA-N -1 3 396.281 3.643 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000582121894 841913428 /nfs/dbraw/zinc/91/34/28/841913428.db2.gz NTZYMFMBSRMZHJ-SJLPKXTDSA-N -1 3 390.499 3.672 20 0 GHADHM C[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000255345644 841914382 /nfs/dbraw/zinc/91/43/82/841914382.db2.gz WPTJWRLVILDNGZ-HJPCULJESA-N -1 3 390.361 3.589 20 0 GHADHM O=c1[n-]c(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)nc2c3ccccc3oc21 ZINC000661665136 842015541 /nfs/dbraw/zinc/01/55/41/842015541.db2.gz HDUZAPNEVWYTSO-DLBZAZTESA-N -1 3 389.455 3.680 20 0 GHADHM [O-]c1cc(F)cc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000473133519 842036377 /nfs/dbraw/zinc/03/63/77/842036377.db2.gz RXPUQTRHZLLWFH-UHFFFAOYSA-N -1 3 389.780 3.921 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1OC ZINC000512004518 842093274 /nfs/dbraw/zinc/09/32/74/842093274.db2.gz AYXVSCLHMXZNCV-OAHLLOKOSA-N -1 3 379.460 3.642 20 0 GHADHM C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000581744960 842136836 /nfs/dbraw/zinc/13/68/36/842136836.db2.gz UPJRDXDYTFWOHA-KPZWWZAWSA-N -1 3 390.842 3.667 20 0 GHADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)CCC2 ZINC000548206966 842158620 /nfs/dbraw/zinc/15/86/20/842158620.db2.gz DIJLSYIAERULOX-HNNXBMFYSA-N -1 3 389.427 3.721 20 0 GHADHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000127317436 842256303 /nfs/dbraw/zinc/25/63/03/842256303.db2.gz HMWPTCBOKLJDOB-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-]Cc1c(F)cccc1Cl ZINC000585793895 842319753 /nfs/dbraw/zinc/31/97/53/842319753.db2.gz FDDAONIDAKPGOB-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730809620 861296911 /nfs/dbraw/zinc/29/69/11/861296911.db2.gz IXEJEYDLGRGPAJ-GWCFXTLKSA-N -1 3 394.306 3.844 20 0 GHADHM CC(=O)Nc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1C ZINC000051272336 842388092 /nfs/dbraw/zinc/38/80/92/842388092.db2.gz JFWRXMYCAIHJGW-LLVKDONJSA-N -1 3 399.472 3.786 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(Cc2ccccc2Br)CC1 ZINC000432410892 842407513 /nfs/dbraw/zinc/40/75/13/842407513.db2.gz SQVFSNXUPOMBBF-UHFFFAOYSA-N -1 3 389.175 3.547 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(Cc2ccccc2Br)CC1 ZINC000432410892 842407522 /nfs/dbraw/zinc/40/75/22/842407522.db2.gz SQVFSNXUPOMBBF-UHFFFAOYSA-N -1 3 389.175 3.547 20 0 GHADHM O=C(OCc1cncc(Br)c1)c1cccc(Br)c1[O-] ZINC000785314632 842553831 /nfs/dbraw/zinc/55/38/31/842553831.db2.gz MFEOGXXXCDFNBJ-UHFFFAOYSA-N -1 3 387.027 3.669 20 0 GHADHM C[C@H]1CC2(CN1[C@@H](C(=O)[O-])c1ccc(Br)cc1F)CCOCC2 ZINC000652449957 842571253 /nfs/dbraw/zinc/57/12/53/842571253.db2.gz XIBSWVDRAMETHG-XHDPSFHLSA-N -1 3 386.261 3.605 20 0 GHADHM CC[C@]([N-]S(=O)(=O)Cc1ccccc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510490654 842585134 /nfs/dbraw/zinc/58/51/34/842585134.db2.gz RHPVPJHFNKZMKS-LJQANCHMSA-N -1 3 395.908 3.546 20 0 GHADHM Cc1nscc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000512148616 842649814 /nfs/dbraw/zinc/64/98/14/842649814.db2.gz ROBBUKDVKDPSKJ-UHFFFAOYSA-N -1 3 397.685 3.932 20 0 GHADHM O=c1[n-]c(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc2c3ccccc3oc21 ZINC000613964028 842745783 /nfs/dbraw/zinc/74/57/83/842745783.db2.gz INOMBXFUIWPMOQ-HOTGVXAUSA-N -1 3 386.455 3.650 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000323509197 842773801 /nfs/dbraw/zinc/77/38/01/842773801.db2.gz XWCQRJBRZNXCHP-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000323509197 842773804 /nfs/dbraw/zinc/77/38/04/842773804.db2.gz XWCQRJBRZNXCHP-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(C(C)(C)C)c3C)nc(=O)c2c1C ZINC000051340541 842852414 /nfs/dbraw/zinc/85/24/14/842852414.db2.gz LDQBZCWRQPDKIU-LLVKDONJSA-N -1 3 388.493 3.779 20 0 GHADHM COc1ccc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c(Br)c1 ZINC000663260997 842942171 /nfs/dbraw/zinc/94/21/71/842942171.db2.gz GLQAXYLETNPJCN-JTQLQIEISA-N -1 3 384.192 3.591 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccsc1C(F)(F)F ZINC000637376283 842950266 /nfs/dbraw/zinc/95/02/66/842950266.db2.gz MOQLDPJIEVRFMF-UHFFFAOYSA-N -1 3 377.697 3.853 20 0 GHADHM CC(C)(C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1O ZINC000185835975 843034262 /nfs/dbraw/zinc/03/42/62/843034262.db2.gz SXLXPHNFSPHZML-QGZVFWFLSA-N -1 3 382.460 3.639 20 0 GHADHM Cc1nc(C(F)(F)F)sc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000462196516 843098762 /nfs/dbraw/zinc/09/87/62/843098762.db2.gz CORIGEXTUDBGSB-UHFFFAOYSA-N -1 3 388.321 3.813 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1 ZINC000471872568 843100393 /nfs/dbraw/zinc/10/03/93/843100393.db2.gz VOVVBVMWFZCKKA-ZDUSSCGKSA-N -1 3 399.472 3.541 20 0 GHADHM C[C@]1(C(F)F)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000662371025 843172100 /nfs/dbraw/zinc/17/21/00/843172100.db2.gz SCXDBMDDIPDZDJ-QGZVFWFLSA-N -1 3 381.404 3.513 20 0 GHADHM COC(=O)c1sc2[n-]c(CN([C@H](C)c3ccccc3)C3CC3)nc(=O)c2c1C ZINC000512295110 843338786 /nfs/dbraw/zinc/33/87/86/843338786.db2.gz RQIQRVKFMZWOJA-CYBMUJFWSA-N -1 3 397.500 3.805 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000091811154 843419695 /nfs/dbraw/zinc/41/96/95/843419695.db2.gz QWEMHUUCANIJNM-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)cc(F)c1F ZINC000431137324 843664577 /nfs/dbraw/zinc/66/45/77/843664577.db2.gz HVJDKLHSEDEKGJ-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000432763112 843740141 /nfs/dbraw/zinc/74/01/41/843740141.db2.gz AASOBTNOTYQXEV-UHFFFAOYSA-N -1 3 399.472 3.707 20 0 GHADHM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000432774281 843777971 /nfs/dbraw/zinc/77/79/71/843777971.db2.gz ODAUJLPXWSOMAU-UHFFFAOYSA-N -1 3 391.489 3.643 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000500707658 843865317 /nfs/dbraw/zinc/86/53/17/843865317.db2.gz DQXHQMNUGCVQNA-UHFFFAOYSA-N -1 3 383.473 3.653 20 0 GHADHM CCc1ccc(OCC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)cc1 ZINC000512858333 843895300 /nfs/dbraw/zinc/89/53/00/843895300.db2.gz YQGPYBZZRKTVPP-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1CCSC1 ZINC000474929557 861471481 /nfs/dbraw/zinc/47/14/81/861471481.db2.gz UKBXFUCCNBMQNJ-QMMMGPOBSA-N -1 3 386.702 3.606 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1cccc(Cl)c1Cl ZINC000333061564 843943000 /nfs/dbraw/zinc/94/30/00/843943000.db2.gz SNLBVXGFQQIDDG-NSHDSACASA-N -1 3 396.361 3.717 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000896693061 861483465 /nfs/dbraw/zinc/48/34/65/861483465.db2.gz YQEFYLJZFPKUID-GFCCVEGCSA-N -1 3 389.525 3.555 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(Cc2cccc(F)c2)n1 ZINC000181164978 844821325 /nfs/dbraw/zinc/82/13/25/844821325.db2.gz JRTIKFAEGBLOES-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM C[C@@]1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC=CCC1 ZINC000458313151 844937337 /nfs/dbraw/zinc/93/73/37/844937337.db2.gz NCFCFOYXALJLBF-HXUWFJFHSA-N -1 3 388.464 3.855 20 0 GHADHM CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482711 844946481 /nfs/dbraw/zinc/94/64/81/844946481.db2.gz PZZSPBUIADZYRW-WAYWQWQTSA-N -1 3 386.807 3.989 20 0 GHADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1ccc(F)cc1Cl ZINC000277178323 845134494 /nfs/dbraw/zinc/13/44/94/845134494.db2.gz FEGAYNGPVMYOHN-QGZVFWFLSA-N -1 3 383.872 3.834 20 0 GHADHM CC(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[O-] ZINC000663969203 845172670 /nfs/dbraw/zinc/17/26/70/845172670.db2.gz GADPXFHLNDBEQO-PHIMTYICSA-N -1 3 383.288 3.798 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000179363081 861548452 /nfs/dbraw/zinc/54/84/52/861548452.db2.gz LREWTSJKSLFGCX-LBPRGKRZSA-N -1 3 378.266 3.658 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc2ccncc21 ZINC001211763285 845319419 /nfs/dbraw/zinc/31/94/19/845319419.db2.gz ALXYZAMKQLUEFD-INIZCTEOSA-N -1 3 384.354 3.956 20 0 GHADHM Cc1nc(-c2ccccc2NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000433780954 845347652 /nfs/dbraw/zinc/34/76/52/845347652.db2.gz DECITMYXUFRATG-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)c1 ZINC000067168569 845446314 /nfs/dbraw/zinc/44/63/14/845446314.db2.gz JRBPTMKZHRFREU-UHFFFAOYSA-N -1 3 387.914 3.535 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000179412390 861570143 /nfs/dbraw/zinc/57/01/43/861570143.db2.gz STUTWQDLLAGOEN-UHFFFAOYSA-N -1 3 395.459 3.640 20 0 GHADHM C[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)c1nc(C2CC2)no1 ZINC000657285166 845670028 /nfs/dbraw/zinc/67/00/28/845670028.db2.gz XJNUQUXPMDMRBP-NSHDSACASA-N -1 3 394.460 3.694 20 0 GHADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1Cl ZINC000277338785 845796369 /nfs/dbraw/zinc/79/63/69/845796369.db2.gz OSUDSWGVZLMYLB-HNNXBMFYSA-N -1 3 379.840 3.671 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN[C@H](C)c4cccnc4)nc(=O)c3s2)cc1 ZINC000684709278 845906193 /nfs/dbraw/zinc/90/61/93/845906193.db2.gz MMIOTWFREHHFPJ-CYBMUJFWSA-N -1 3 392.484 3.906 20 0 GHADHM CCCCCc1nnc([N-]C(=O)c2nnn(Cc3ccccc3)c2CC)s1 ZINC000421451147 846230502 /nfs/dbraw/zinc/23/05/02/846230502.db2.gz KZOYYUKESUNNKD-UHFFFAOYSA-N -1 3 384.509 3.725 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1C ZINC000280575542 846442641 /nfs/dbraw/zinc/44/26/41/846442641.db2.gz MCMYVEKPXHXXHC-UHFFFAOYSA-N -1 3 390.461 3.688 20 0 GHADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179641319 861679570 /nfs/dbraw/zinc/67/95/70/861679570.db2.gz JQEQTKVTUNOTPH-MRXNPFEDSA-N -1 3 392.908 3.844 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)c(F)c1 ZINC000414411245 846564573 /nfs/dbraw/zinc/56/45/73/846564573.db2.gz PRDHPPWNJOBINZ-UHFFFAOYSA-N -1 3 389.832 3.696 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc2cnccc21 ZINC000108700271 846580690 /nfs/dbraw/zinc/58/06/90/846580690.db2.gz JODLAKMUWFWKNG-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CCc2ccccc2CC1 ZINC000582186603 846600051 /nfs/dbraw/zinc/60/00/51/846600051.db2.gz IJWULZOVYDUJIN-KRWDZBQOSA-N -1 3 378.241 3.815 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000502972243 846658779 /nfs/dbraw/zinc/65/87/79/846658779.db2.gz VHLFIJNECRTVRF-UHFFFAOYSA-N -1 3 375.457 3.502 20 0 GHADHM COCCCn1c(C)cc(C(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000419606035 846671749 /nfs/dbraw/zinc/67/17/49/846671749.db2.gz RNRWKUNBWAISCS-UHFFFAOYSA-N -1 3 389.521 3.631 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccn(Cc4ccccc4)c3)cc2)n1 ZINC000513707070 846686870 /nfs/dbraw/zinc/68/68/70/846686870.db2.gz YSVORTKZJPBUDB-UHFFFAOYSA-N -1 3 384.439 3.847 20 0 GHADHM Cc1cc(Br)c2c(c1)CN(C(=O)NCc1ccc([O-])c(F)c1)CC2 ZINC000430050566 846759626 /nfs/dbraw/zinc/75/96/26/846759626.db2.gz JKKCAKSYNRKMPF-UHFFFAOYSA-N -1 3 393.256 3.870 20 0 GHADHM COC(=O)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422035428 846764302 /nfs/dbraw/zinc/76/43/02/846764302.db2.gz GUPJGXWQDTXPTI-IPMKNSEASA-N -1 3 399.462 3.563 20 0 GHADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1F ZINC000647892741 846785421 /nfs/dbraw/zinc/78/54/21/846785421.db2.gz SMEYPIKPSRODCE-LBPRGKRZSA-N -1 3 392.477 3.997 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000109814299 846863712 /nfs/dbraw/zinc/86/37/12/846863712.db2.gz OEZGDUVRVQYAGY-UHFFFAOYSA-N -1 3 380.275 3.619 20 0 GHADHM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503176862 846875996 /nfs/dbraw/zinc/87/59/96/846875996.db2.gz HQCFUPAPJOSSQK-UHFFFAOYSA-N -1 3 395.438 3.720 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000731616144 861758957 /nfs/dbraw/zinc/75/89/57/861758957.db2.gz CJDUCLUVQLLETQ-OAHLLOKOSA-N -1 3 381.762 3.764 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@]3(C)CCCOC3)cc2)cc1 ZINC000272732550 847158280 /nfs/dbraw/zinc/15/82/80/847158280.db2.gz IOPXMOQLIOYRPO-HXUWFJFHSA-N -1 3 388.489 3.551 20 0 GHADHM Cc1ccc([C@H](CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C(=O)[O-])cc1 ZINC000899767492 861762625 /nfs/dbraw/zinc/76/26/25/861762625.db2.gz SEKQJPPHOCWERA-YADHBBJMSA-N -1 3 394.515 3.724 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC(C)C)C2CCCC2)c1 ZINC000273288785 847294039 /nfs/dbraw/zinc/29/40/39/847294039.db2.gz IDHSFPJEPSQHCR-UHFFFAOYSA-N -1 3 385.464 3.982 20 0 GHADHM C[C@H](NC1(CN=c2nc(C3CCCC3)[n-]s2)CCOCC1)c1ccccc1 ZINC000420591501 847328150 /nfs/dbraw/zinc/32/81/50/847328150.db2.gz AFOWPWLUNRHHNO-INIZCTEOSA-N -1 3 386.565 3.930 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1nccs1 ZINC000420673637 847365280 /nfs/dbraw/zinc/36/52/80/847365280.db2.gz LSRLIWHHEBWMKK-SECBINFHSA-N -1 3 382.841 3.828 20 0 GHADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420685261 847370753 /nfs/dbraw/zinc/37/07/53/847370753.db2.gz FKWJYJHSDFYASA-MRVPVSSYSA-N -1 3 381.750 3.951 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)NCc2ccc([O-])c(F)c2)cc1OCC ZINC000544032058 847457732 /nfs/dbraw/zinc/45/77/32/847457732.db2.gz WEOGTVJEJPQTRQ-UHFFFAOYSA-N -1 3 375.440 3.923 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccnc(OC(C)C)c1 ZINC000503213447 847467236 /nfs/dbraw/zinc/46/72/36/847467236.db2.gz VPGNKGMQHTZFNF-UHFFFAOYSA-N -1 3 378.425 3.541 20 0 GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000684914369 847577131 /nfs/dbraw/zinc/57/71/31/847577131.db2.gz ODJUPPZKMWBBFA-UHFFFAOYSA-N -1 3 394.306 3.603 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000503375744 847650844 /nfs/dbraw/zinc/65/08/44/847650844.db2.gz MJAKFLAMSBKLCW-AWEZNQCLSA-N -1 3 376.453 3.920 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C2(c3ccccc3)CCCC2)s1 ZINC001211549746 847686442 /nfs/dbraw/zinc/68/64/42/847686442.db2.gz RCAANEVVYZIIEB-CQSZACIVSA-N -1 3 393.530 3.714 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000503483206 847739902 /nfs/dbraw/zinc/73/99/02/847739902.db2.gz AUYBCMCSOXCSGB-UHFFFAOYSA-N -1 3 397.797 3.977 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000582605860 847747280 /nfs/dbraw/zinc/74/72/80/847747280.db2.gz WKKSGESNWIXRFT-QPAOKJHLSA-N -1 3 394.515 3.615 20 0 GHADHM O=C(CCC(=O)c1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000503596196 847820559 /nfs/dbraw/zinc/82/05/59/847820559.db2.gz OSVJEJMJXSWLLR-UHFFFAOYSA-N -1 3 380.213 3.573 20 0 GHADHM COc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)[C@@H](C)C2CC2)c([O-])c1 ZINC000563421107 847852207 /nfs/dbraw/zinc/85/22/07/847852207.db2.gz DOBGEIXGNKRMNU-AWEZNQCLSA-N -1 3 385.460 3.859 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C3CCC3)c2)cc1OC ZINC000684952059 847873136 /nfs/dbraw/zinc/87/31/36/847873136.db2.gz ITXGGLFJIDBWRQ-UHFFFAOYSA-N -1 3 388.489 3.977 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1 ZINC000421245672 847904765 /nfs/dbraw/zinc/90/47/65/847904765.db2.gz GZZSZORTGAYJAG-IBGZPJMESA-N -1 3 391.537 3.689 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1 ZINC001299321282 861867018 /nfs/dbraw/zinc/86/70/18/861867018.db2.gz IKQBPAMAFRGGTJ-INIZCTEOSA-N -1 3 396.306 3.682 20 0 GHADHM CC[C@H]1Cc2c(Br)cccc2CN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000548773016 848451650 /nfs/dbraw/zinc/45/16/50/848451650.db2.gz RLXUNGYIDRSUME-AWEZNQCLSA-N -1 3 399.292 3.888 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1ccoc1Cl ZINC000192297131 861905403 /nfs/dbraw/zinc/90/54/03/861905403.db2.gz PAPSOFSHLMYHFW-UHFFFAOYSA-N -1 3 381.617 3.588 20 0 GHADHM CC[C@H](C)Oc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1OC ZINC000130920742 848502510 /nfs/dbraw/zinc/50/25/10/848502510.db2.gz KBHISVRMPRQCNG-KRWDZBQOSA-N -1 3 398.503 3.536 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cncc([O-])c2)c2ccccc2)c1 ZINC000731915570 861957273 /nfs/dbraw/zinc/95/72/73/861957273.db2.gz MKODMWUWSBEDJK-HXUWFJFHSA-N -1 3 376.412 3.941 20 0 GHADHM O=c1[n-]c(C2CCN([C@@H]3CCCc4ccc(Br)cc43)CC2)n[nH]1 ZINC000329668797 861978973 /nfs/dbraw/zinc/97/89/73/861978973.db2.gz SEBGTHGFMKBHCV-OAHLLOKOSA-N -1 3 377.286 3.530 20 0 GHADHM CCCn1ncc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1C1CC1 ZINC000123998796 849242751 /nfs/dbraw/zinc/24/27/51/849242751.db2.gz ATOJBNKISKXLEW-UHFFFAOYSA-N -1 3 391.475 3.736 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c[nH]1 ZINC000092262913 849403991 /nfs/dbraw/zinc/40/39/91/849403991.db2.gz CVZFDOUGLGTHCH-LBPRGKRZSA-N -1 3 379.379 3.644 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2cnc(C(C)=O)s2)sc2c1CCSC2 ZINC000414726581 849836523 /nfs/dbraw/zinc/83/65/23/849836523.db2.gz ZDXLVGVASRVJPZ-UHFFFAOYSA-N -1 3 396.515 3.626 20 0 GHADHM COc1ccc(-n2nnc(C(=O)[N-]c3c(F)cc(Cl)cc3F)c2C)cc1 ZINC000180350067 862087302 /nfs/dbraw/zinc/08/73/02/862087302.db2.gz FBJAODVECUWBGT-UHFFFAOYSA-N -1 3 378.766 3.768 20 0 GHADHM CCCCC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749053 850320970 /nfs/dbraw/zinc/32/09/70/850320970.db2.gz LWFAAVRJWFJDPR-SJORKVTESA-N -1 3 395.569 3.854 20 0 GHADHM CC1(C)CCC[C@](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)(C(=O)[O-])C1 ZINC000908751902 850329385 /nfs/dbraw/zinc/32/93/85/850329385.db2.gz OVRSUZGJPNKUDP-MGPUTAFESA-N -1 3 393.553 3.608 20 0 GHADHM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000908801219 850368150 /nfs/dbraw/zinc/36/81/50/850368150.db2.gz CNKFZACAWZDGDJ-APWZRJJASA-N -1 3 381.542 3.560 20 0 GHADHM CCN(CC)[C@H](CNC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccsc1 ZINC000908801617 850368793 /nfs/dbraw/zinc/36/87/93/850368793.db2.gz BCQYUFBLNKNATM-MRXNPFEDSA-N -1 3 381.542 3.608 20 0 GHADHM CCCCCC[C@](C)(NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884331 850451565 /nfs/dbraw/zinc/45/15/65/850451565.db2.gz KUHXJIYHBYYRRU-LZNRXBQRSA-N -1 3 389.540 3.935 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)N2CCCC2)cc1 ZINC000908898620 850464489 /nfs/dbraw/zinc/46/44/89/850464489.db2.gz MFOWICQYGSQYHS-LEWJYISDSA-N -1 3 395.503 3.599 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)N2CCCC2)cc1 ZINC000908899657 850465619 /nfs/dbraw/zinc/46/56/19/850465619.db2.gz XFRSATUTZWWEAZ-LJQANCHMSA-N -1 3 387.524 3.561 20 0 GHADHM Cc1ccn2cc(C[N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)nc2c1 ZINC000435424408 850504455 /nfs/dbraw/zinc/50/44/55/850504455.db2.gz ZZEUWYDGLDMHOT-UHFFFAOYSA-N -1 3 388.251 3.567 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000505157295 850659985 /nfs/dbraw/zinc/65/99/85/850659985.db2.gz UMKQPAPRZJIIEF-KRWDZBQOSA-N -1 3 385.483 3.793 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000505157296 850660095 /nfs/dbraw/zinc/66/00/95/850660095.db2.gz UMKQPAPRZJIIEF-QGZVFWFLSA-N -1 3 385.483 3.793 20 0 GHADHM Cc1nc2cc(Br)cc([N-]C(=O)c3ncoc3[C@H]3CCCO3)c2o1 ZINC001269744512 850812344 /nfs/dbraw/zinc/81/23/44/850812344.db2.gz HROUEYBQLOTUQG-GFCCVEGCSA-N -1 3 392.209 3.991 20 0 GHADHM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000487722652 850859927 /nfs/dbraw/zinc/85/99/27/850859927.db2.gz RIHCHPYXTMCWIO-SFHVURJKSA-N -1 3 399.450 3.718 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000673936590 862185924 /nfs/dbraw/zinc/18/59/24/862185924.db2.gz ILLDCAULVIJWSD-UHFFFAOYSA-N -1 3 390.789 3.565 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000732286720 862192638 /nfs/dbraw/zinc/19/26/38/862192638.db2.gz HYUVHCHJHCGDGH-UHFFFAOYSA-N -1 3 380.404 3.935 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1[O-] ZINC000519405909 851013048 /nfs/dbraw/zinc/01/30/48/851013048.db2.gz GRVLNMVZPSNJSU-KRWDZBQOSA-N -1 3 398.478 3.652 20 0 GHADHM COc1cc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000513959845 851043716 /nfs/dbraw/zinc/04/37/16/851043716.db2.gz VCJIIZAWDBXPQT-OAHLLOKOSA-N -1 3 393.892 3.993 20 0 GHADHM CC1(C)CCC[C@](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])C1 ZINC000910217653 851056536 /nfs/dbraw/zinc/05/65/36/851056536.db2.gz FDOJQGHUVOGBKJ-HTAPYJJXSA-N -1 3 390.499 3.578 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434427714 851092549 /nfs/dbraw/zinc/09/25/49/851092549.db2.gz DWDXTHLKAQLDGU-JTQLQIEISA-N -1 3 381.192 3.639 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CCc1ccccn1)Cc1cccnc1 ZINC000436034666 851130219 /nfs/dbraw/zinc/13/02/19/851130219.db2.gz TWHZHBRWAWZZGM-UHFFFAOYSA-N -1 3 393.462 3.916 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c(F)cc1F ZINC000440400524 851159539 /nfs/dbraw/zinc/15/95/39/851159539.db2.gz TVPHQCLYZRSHKA-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN([C@H](C)c2ccccc2)CC1 ZINC000910373076 851163261 /nfs/dbraw/zinc/16/32/61/851163261.db2.gz OGKUUEKJVQEMDE-MRXNPFEDSA-N -1 3 391.471 3.825 20 0 GHADHM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000910402561 851174173 /nfs/dbraw/zinc/17/41/73/851174173.db2.gz RFOCNZYTHUHTSY-MRXNPFEDSA-N -1 3 399.800 3.702 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 ZINC000515629581 851268321 /nfs/dbraw/zinc/26/83/21/851268321.db2.gz DUTCUIHLJFVTEC-LJQANCHMSA-N -1 3 375.490 3.970 20 0 GHADHM Cc1cc[nH]c1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000436179470 851307231 /nfs/dbraw/zinc/30/72/31/851307231.db2.gz KFNKFQUCSLNYOW-UHFFFAOYSA-N -1 3 379.645 3.803 20 0 GHADHM Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ncccc3[O-])cc12 ZINC000473630852 851309029 /nfs/dbraw/zinc/30/90/29/851309029.db2.gz ULXMMEKGWLDLNI-UHFFFAOYSA-N -1 3 378.457 3.734 20 0 GHADHM O=C(NCc1ncccc1[O-])C1(c2ccc(Br)cc2)CCCC1 ZINC000473639542 851338857 /nfs/dbraw/zinc/33/88/57/851338857.db2.gz DUDBAPVKLXSYCN-UHFFFAOYSA-N -1 3 375.266 3.678 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1c(F)cccc1F ZINC000048445581 851407900 /nfs/dbraw/zinc/40/79/00/851407900.db2.gz JHSHMJNLLPHGNI-SSDOTTSWSA-N -1 3 382.251 3.828 20 0 GHADHM COCCS(=O)(=O)[N-]c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000488345704 851411892 /nfs/dbraw/zinc/41/18/92/851411892.db2.gz JZECUNGKQYXTIU-UHFFFAOYSA-N -1 3 375.368 3.886 20 0 GHADHM O=C(NCCc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052802303 851548103 /nfs/dbraw/zinc/54/81/03/851548103.db2.gz HOWXDCSSCSHCKL-OAQYLSRUSA-N -1 3 388.467 3.509 20 0 GHADHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000366601131 851604839 /nfs/dbraw/zinc/60/48/39/851604839.db2.gz JZTWHUOAXZXESY-LLVKDONJSA-N -1 3 387.490 3.511 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281525295 851621827 /nfs/dbraw/zinc/62/18/27/851621827.db2.gz ZPKQRWAKAXHAMR-CQSZACIVSA-N -1 3 399.457 3.528 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cccc(Cl)c3)c2)n1 ZINC000049302543 851648140 /nfs/dbraw/zinc/64/81/40/851648140.db2.gz XVFYRIIIDYTKRT-UHFFFAOYSA-N -1 3 383.835 3.670 20 0 GHADHM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000911252326 851648891 /nfs/dbraw/zinc/64/88/91/851648891.db2.gz KQZYRZSASOSLJO-MORCLJERSA-N -1 3 382.460 3.675 20 0 GHADHM CC[C@@H](C(=O)[O-])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000911292953 851670642 /nfs/dbraw/zinc/67/06/42/851670642.db2.gz RJDMGQDMQYQYFQ-CQSZACIVSA-N -1 3 387.307 3.529 20 0 GHADHM Cc1ccc([C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)N2CCCC2)cc1 ZINC000911297808 851671211 /nfs/dbraw/zinc/67/12/11/851671211.db2.gz ZQYJIGYZURTVDY-BVVFMGSASA-N -1 3 384.520 3.673 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911300560 851672868 /nfs/dbraw/zinc/67/28/68/851672868.db2.gz PBNQIRMWSVJDIC-UHFFFAOYSA-N -1 3 380.916 3.511 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1cc(F)ccc1Cl ZINC000488758750 851744136 /nfs/dbraw/zinc/74/41/36/851744136.db2.gz KSMZFJPNKNTJIQ-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000488744732 851746319 /nfs/dbraw/zinc/74/63/19/851746319.db2.gz ZLENDEHRFFLULE-SFHVURJKSA-N -1 3 392.427 3.832 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000488864977 851824440 /nfs/dbraw/zinc/82/44/40/851824440.db2.gz JVYRVJPJOWYHEW-FQEVSTJZSA-N -1 3 382.435 3.891 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOc3cc(F)c(F)cc32)s1 ZINC000911924292 851954664 /nfs/dbraw/zinc/95/46/64/851954664.db2.gz ASVPRCIDAPOQPF-UHFFFAOYSA-N -1 3 397.403 3.808 20 0 GHADHM CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cccc(C)c3[O-])cn2)cc1 ZINC000436487041 851982271 /nfs/dbraw/zinc/98/22/71/851982271.db2.gz SBSRATAVEBBOOU-UHFFFAOYSA-N -1 3 396.472 3.510 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c(C)c1 ZINC000517483974 852008453 /nfs/dbraw/zinc/00/84/53/852008453.db2.gz FOLQWMCSPCMLTQ-UHFFFAOYSA-N -1 3 377.462 3.680 20 0 GHADHM O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000436528694 852019095 /nfs/dbraw/zinc/01/90/95/852019095.db2.gz YDNDOJMPQBOVLG-MRXNPFEDSA-N -1 3 392.377 3.505 20 0 GHADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2cc(CC)ccc2[O-])c(F)cc1F ZINC000436530794 852021141 /nfs/dbraw/zinc/02/11/41/852021141.db2.gz CMGZPUPNVXTQEF-UHFFFAOYSA-N -1 3 398.431 3.637 20 0 GHADHM Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1C(=O)NC(C)C ZINC000436555804 852043544 /nfs/dbraw/zinc/04/35/44/852043544.db2.gz JKXNAFMJQRIUTM-UHFFFAOYSA-N -1 3 382.460 3.805 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1[O-] ZINC000436575048 852060371 /nfs/dbraw/zinc/06/03/71/852060371.db2.gz LZCBVVGAFKDBDS-NSHDSACASA-N -1 3 376.250 3.718 20 0 GHADHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1C(N)=O ZINC000436565825 852068113 /nfs/dbraw/zinc/06/81/13/852068113.db2.gz KAJKJHHURVRVNC-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436573809 852076720 /nfs/dbraw/zinc/07/67/20/852076720.db2.gz IJRKNTBIVHJKRQ-HNNXBMFYSA-N -1 3 395.459 3.540 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436592356 852079756 /nfs/dbraw/zinc/07/97/56/852079756.db2.gz ULLBGFZPFXMZKP-CQSZACIVSA-N -1 3 379.460 3.896 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000436607037 852106381 /nfs/dbraw/zinc/10/63/81/852106381.db2.gz RYKADXYEVKMATL-TZIWHRDSSA-N -1 3 383.513 3.524 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[O-])N2CCCC2)o1 ZINC000436629676 852123854 /nfs/dbraw/zinc/12/38/54/852123854.db2.gz WTCJGFXYIWFTHV-HNNXBMFYSA-N -1 3 393.281 3.623 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCC[C@@H](C)C3)cs2)c1 ZINC000436637166 852132121 /nfs/dbraw/zinc/13/21/21/852132121.db2.gz ZFXBTNNTSDRFRY-TZMCWYRMSA-N -1 3 387.505 3.647 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436620912 852134674 /nfs/dbraw/zinc/13/46/74/852134674.db2.gz ABSPQQBGLWWMJR-GOSISDBHSA-N -1 3 394.471 3.864 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c([O-])c1 ZINC000436660781 852178839 /nfs/dbraw/zinc/17/88/39/852178839.db2.gz BBJBNGGUWRAFBO-GOSISDBHSA-N -1 3 386.879 3.838 20 0 GHADHM Cn1nccc1[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436677633 852184778 /nfs/dbraw/zinc/18/47/78/852184778.db2.gz YIPHBZZLOJBJCM-MRXNPFEDSA-N -1 3 377.444 3.938 20 0 GHADHM COc1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([O-])c1 ZINC000436678833 852186173 /nfs/dbraw/zinc/18/61/73/852186173.db2.gz CYJSRJGUGZPJGT-UHFFFAOYSA-N -1 3 383.423 3.635 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436690385 852200932 /nfs/dbraw/zinc/20/09/32/852200932.db2.gz QBFWJAIGQRPPRN-KXBFYZLASA-N -1 3 398.528 3.986 20 0 GHADHM CSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)o1 ZINC000112293506 852229781 /nfs/dbraw/zinc/22/97/81/852229781.db2.gz LEKAAKCHHSVHOJ-UHFFFAOYSA-N -1 3 394.396 3.644 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436739562 852257828 /nfs/dbraw/zinc/25/78/28/852257828.db2.gz WOUHVAMMTAKHLT-CQSZACIVSA-N -1 3 375.490 3.800 20 0 GHADHM CC(C)CC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC000436741054 852258281 /nfs/dbraw/zinc/25/82/81/852258281.db2.gz ROVWDZIDIAPJEV-LJQANCHMSA-N -1 3 389.540 3.711 20 0 GHADHM NC(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436757371 852277497 /nfs/dbraw/zinc/27/74/97/852277497.db2.gz VSFYPBDLSFHBFR-UHFFFAOYSA-N -1 3 375.428 3.920 20 0 GHADHM COc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1[O-] ZINC000436749709 852291324 /nfs/dbraw/zinc/29/13/24/852291324.db2.gz KUYQDVIMMIVPMI-LBPRGKRZSA-N -1 3 377.824 3.722 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CCC[C@@H]3C)cs2)c1 ZINC000436779699 852315833 /nfs/dbraw/zinc/31/58/33/852315833.db2.gz MEQBLLJKYOIAKN-KBPBESRZSA-N -1 3 387.505 3.504 20 0 GHADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1nc(C)cc(C)n1 ZINC000436812894 852372504 /nfs/dbraw/zinc/37/25/04/852372504.db2.gz OGUJNAABVANMBF-UHFFFAOYSA-N -1 3 391.353 3.564 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])Cc1ccccc1 ZINC000436832297 852380366 /nfs/dbraw/zinc/38/03/66/852380366.db2.gz HPOMRYZPJUPVQW-CTNGQTDRSA-N -1 3 394.515 3.628 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436834555 852385498 /nfs/dbraw/zinc/38/54/98/852385498.db2.gz ZXIDSIIJPUPBHJ-UHFFFAOYSA-N -1 3 386.879 3.767 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436836847 852387526 /nfs/dbraw/zinc/38/75/26/852387526.db2.gz FOMSDXXKUADLFS-MRXNPFEDSA-N -1 3 390.365 3.611 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000436847396 852414111 /nfs/dbraw/zinc/41/41/11/852414111.db2.gz JXPLQTULQVWVKX-IEBWSBKVSA-N -1 3 393.405 3.705 20 0 GHADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3ncn(-c4ccccc4)n3)n[nH]2)cc1 ZINC000506978958 852414285 /nfs/dbraw/zinc/41/42/85/852414285.db2.gz NSBADPFDUCXCJK-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCCCC1 ZINC000436904032 852468563 /nfs/dbraw/zinc/46/85/63/852468563.db2.gz PDMDNLLHKGLHAR-NRFANRHFSA-N -1 3 380.488 3.950 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436918906 852499638 /nfs/dbraw/zinc/49/96/38/852499638.db2.gz LAJFBYINARFKOJ-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM COCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436934701 852517731 /nfs/dbraw/zinc/51/77/31/852517731.db2.gz YVOARLBCJXPHPO-LBPRGKRZSA-N -1 3 383.366 3.966 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000436945373 852527494 /nfs/dbraw/zinc/52/74/94/852527494.db2.gz PQHUSNPHFBLNCD-MOPGFXCFSA-N -1 3 398.890 3.570 20 0 GHADHM Cc1ccc2sc(C(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)cc2c1 ZINC000436945789 852528466 /nfs/dbraw/zinc/52/84/66/852528466.db2.gz NUTZPDUSTDSURX-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436962500 852534641 /nfs/dbraw/zinc/53/46/41/852534641.db2.gz BZCREOVXDSIIKY-DNVCBOLYSA-N -1 3 384.451 3.569 20 0 GHADHM Cn1c2ccc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])cc2n(C)c1=O ZINC000436953140 852542818 /nfs/dbraw/zinc/54/28/18/852542818.db2.gz MHUVBOYODPYSMF-UHFFFAOYSA-N -1 3 389.411 3.627 20 0 GHADHM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436978429 852564464 /nfs/dbraw/zinc/56/44/64/852564464.db2.gz HRLWAKFATNXIBE-QGZVFWFLSA-N -1 3 378.819 3.836 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436992699 852583198 /nfs/dbraw/zinc/58/31/98/852583198.db2.gz WNFSQFRBBODKEQ-UHFFFAOYSA-N -1 3 381.245 3.916 20 0 GHADHM COc1ccc(C(=O)NCC2(c3ccccc3Br)CC2)c([O-])c1 ZINC000436994490 852585482 /nfs/dbraw/zinc/58/54/82/852585482.db2.gz DANAPGUKMAVCDY-UHFFFAOYSA-N -1 3 376.250 3.625 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000437006831 852603590 /nfs/dbraw/zinc/60/35/90/852603590.db2.gz WBMMGRZPQUCVRO-MRXNPFEDSA-N -1 3 397.475 3.559 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000427076236 852704270 /nfs/dbraw/zinc/70/42/70/852704270.db2.gz CJKIPAADZCGKIL-UHFFFAOYSA-N -1 3 389.440 3.664 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000427076236 852704275 /nfs/dbraw/zinc/70/42/75/852704275.db2.gz CJKIPAADZCGKIL-UHFFFAOYSA-N -1 3 389.440 3.664 20 0 GHADHM O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc([O-])ccc1Cl ZINC000507311431 852772277 /nfs/dbraw/zinc/77/22/77/852772277.db2.gz ZKGLLDJAZVEADA-AZUAARDMSA-N -1 3 377.843 3.688 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2ncc(Cc3ccc(C)c(Cl)c3)s2)no1 ZINC000438763590 852836851 /nfs/dbraw/zinc/83/68/51/852836851.db2.gz LGVNGZBZVNQNBW-UHFFFAOYSA-N -1 3 391.836 3.723 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)CCN(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000518083331 852836927 /nfs/dbraw/zinc/83/69/27/852836927.db2.gz XYZZPXQMJMVTGF-UHFFFAOYSA-N -1 3 391.475 3.758 20 0 GHADHM Cc1ccc(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000516668842 852854189 /nfs/dbraw/zinc/85/41/89/852854189.db2.gz HJYQWWXLMKMEBX-UHFFFAOYSA-N -1 3 397.236 3.578 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(F)cc1C ZINC000518144616 852925969 /nfs/dbraw/zinc/92/59/69/852925969.db2.gz PNVWYYUBOUUTAD-UHFFFAOYSA-N -1 3 387.379 3.531 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1[O-] ZINC000518150857 852934374 /nfs/dbraw/zinc/93/43/74/852934374.db2.gz GTDWHHPRFCYZFO-HXUWFJFHSA-N -1 3 388.423 3.705 20 0 GHADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc([O-])c(F)c1 ZINC000133125194 862408995 /nfs/dbraw/zinc/40/89/95/862408995.db2.gz DSBSNUSTFGGDPZ-UHFFFAOYSA-N -1 3 389.814 3.874 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)[n-]n1 ZINC000180929877 862412989 /nfs/dbraw/zinc/41/29/89/862412989.db2.gz SMSMTWOCVKKDHE-UHFFFAOYSA-N -1 3 392.774 3.595 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)n[n-]1 ZINC000180929877 862412992 /nfs/dbraw/zinc/41/29/92/862412992.db2.gz SMSMTWOCVKKDHE-UHFFFAOYSA-N -1 3 392.774 3.595 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sc(Cl)cc32)s1 ZINC000490450959 853016393 /nfs/dbraw/zinc/01/63/93/853016393.db2.gz BXEHIKMDEXBPRT-SECBINFHSA-N -1 3 391.923 3.606 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)nnn1CC1CCCC1 ZINC000516849073 853084702 /nfs/dbraw/zinc/08/47/02/853084702.db2.gz ZQGSOHGPQNUWGD-UHFFFAOYSA-N -1 3 393.285 3.806 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1C ZINC000469352753 853165977 /nfs/dbraw/zinc/16/59/77/853165977.db2.gz ZFJZHKLCHJUYLI-UHFFFAOYSA-N -1 3 387.461 3.937 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCOc3ccccc3Cl)nc2)n1 ZINC000518298909 853175733 /nfs/dbraw/zinc/17/57/33/853175733.db2.gz UUJCSIBSZBOMDV-UHFFFAOYSA-N -1 3 384.867 3.975 20 0 GHADHM CC1(C)C(=O)Nc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc21 ZINC000490677850 853194048 /nfs/dbraw/zinc/19/40/48/853194048.db2.gz YPYRWTHFHHBHJB-UHFFFAOYSA-N -1 3 375.222 3.637 20 0 GHADHM Cc1ccc(-c2nc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)cs2)c(C)c1 ZINC000518413907 853317599 /nfs/dbraw/zinc/31/75/99/853317599.db2.gz PXESKMZQPAMZCL-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1ccc(-c2nc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)cs2)c(C)c1 ZINC000518413907 853317609 /nfs/dbraw/zinc/31/76/09/853317609.db2.gz PXESKMZQPAMZCL-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000518488984 853403287 /nfs/dbraw/zinc/40/32/87/853403287.db2.gz GGTFUNAZWOLIDY-MRXNPFEDSA-N -1 3 381.473 3.509 20 0 GHADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000604769454 862461940 /nfs/dbraw/zinc/46/19/40/862461940.db2.gz QPSHEJKMIFYMNR-CYBMUJFWSA-N -1 3 398.450 3.608 20 0 GHADHM CC(C)O[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000506112426 853462962 /nfs/dbraw/zinc/46/29/62/853462962.db2.gz LMUIZTHORPXAQU-QGZVFWFLSA-N -1 3 388.265 3.624 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000519789549 853471718 /nfs/dbraw/zinc/47/17/18/853471718.db2.gz ZVCLEBCAFCFBBP-OALUTQOASA-N -1 3 375.490 3.787 20 0 GHADHM CCCC(=O)NC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000586751588 853522063 /nfs/dbraw/zinc/52/20/63/853522063.db2.gz NXQLEJJNILQHFR-UHFFFAOYSA-N -1 3 380.488 3.504 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1OC ZINC000437833220 853562904 /nfs/dbraw/zinc/56/29/04/853562904.db2.gz AWWOLPMNJNSBBN-NVXWUHKLSA-N -1 3 395.525 3.547 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000481884470 862480958 /nfs/dbraw/zinc/48/09/58/862480958.db2.gz OHLNLTQZRAEEQZ-UHFFFAOYSA-N -1 3 380.897 3.795 20 0 GHADHM COC(=O)c1cnc(SCc2ccc(Br)c3cccnc23)[n-]1 ZINC000188058059 853613172 /nfs/dbraw/zinc/61/31/72/853613172.db2.gz AYNODOAHYLIJKL-UHFFFAOYSA-N -1 3 378.251 3.799 20 0 GHADHM Cc1c(NC=C2C(=O)[N-]C(=O)c3ccccc32)cccc1NC(=O)c1ccccc1 ZINC000055010501 853628023 /nfs/dbraw/zinc/62/80/23/853628023.db2.gz STCPQAUYBKVIEX-XMHGGMMESA-N -1 3 397.434 3.970 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000518689144 853644876 /nfs/dbraw/zinc/64/48/76/853644876.db2.gz ZWYSKHGFRLIGMK-IBGZPJMESA-N -1 3 397.368 3.816 20 0 GHADHM COc1cc(N2CCOC(C)(C)C2)ccc1NCc1c(F)ccc([O-])c1F ZINC000517342461 853688683 /nfs/dbraw/zinc/68/86/83/853688683.db2.gz BRECNTPVPWCGGQ-UHFFFAOYSA-N -1 3 378.419 3.906 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC001212145648 853745915 /nfs/dbraw/zinc/74/59/15/853745915.db2.gz OJWHWPHVRGYQJY-UNBOTUJPSA-N -1 3 386.583 3.690 20 0 GHADHM COc1cc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc(OC)c1OC ZINC000440986760 853823246 /nfs/dbraw/zinc/82/32/46/853823246.db2.gz GPXGIAUKEYQJEX-UHFFFAOYSA-N -1 3 385.338 3.618 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCOc3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000520160926 853898143 /nfs/dbraw/zinc/89/81/43/853898143.db2.gz VAFHHOGVAUNXAH-UHFFFAOYSA-N -1 3 396.422 3.887 20 0 GHADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000732819447 862519803 /nfs/dbraw/zinc/51/98/03/862519803.db2.gz YJJMSIZIAZQMKJ-LLVKDONJSA-N -1 3 398.278 3.739 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1ccc(CCCl)cc1 ZINC000055644633 854043242 /nfs/dbraw/zinc/04/32/42/854043242.db2.gz CQGMLEIGCBECNP-UHFFFAOYSA-N -1 3 379.844 3.594 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000163705925 862529571 /nfs/dbraw/zinc/52/95/71/862529571.db2.gz PVSMSKHRNFXTIT-QGZVFWFLSA-N -1 3 376.403 3.561 20 0 GHADHM COc1ccc([C@H](NCc2nnc(-c3ccccc3[O-])o2)C(F)(F)F)cc1 ZINC001168381934 854145150 /nfs/dbraw/zinc/14/51/50/854145150.db2.gz KEOJECXZEUYUMK-INIZCTEOSA-N -1 3 379.338 3.844 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473905531 854230053 /nfs/dbraw/zinc/23/00/53/854230053.db2.gz XXQFFFQPFIVWSR-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473905531 854230062 /nfs/dbraw/zinc/23/00/62/854230062.db2.gz XXQFFFQPFIVWSR-SNVBAGLBSA-N -1 3 392.246 3.503 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)sc1Cl ZINC000473915440 854243287 /nfs/dbraw/zinc/24/32/87/854243287.db2.gz LEXWCABBYPMVER-GFCCVEGCSA-N -1 3 377.915 3.995 20 0 GHADHM Cc1ncc(CO)c(/C=N/Cc2ccc(CN3CCc4ccccc43)cc2)c1[O-] ZINC000032069471 854411625 /nfs/dbraw/zinc/41/16/25/854411625.db2.gz WOZZSTYSWPZCKA-AFUMVMLFSA-N -1 3 387.483 3.770 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000068225169 854561409 /nfs/dbraw/zinc/56/14/09/854561409.db2.gz DLYCEHWITYAZFT-UHFFFAOYSA-N -1 3 386.411 3.961 20 0 GHADHM CC(C)c1nc([C@H]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)no1 ZINC000328833601 854567328 /nfs/dbraw/zinc/56/73/28/854567328.db2.gz LGFWCMXXNAGYCL-ZDUSSCGKSA-N -1 3 393.447 3.968 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(F)ccc2Br)[nH][n-]1 ZINC000588927732 854597279 /nfs/dbraw/zinc/59/72/79/854597279.db2.gz WVWFZNYPDSTOGE-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)c1 ZINC000068666909 854607917 /nfs/dbraw/zinc/60/79/17/854607917.db2.gz AZTQSYXLOAXENF-UHFFFAOYSA-N -1 3 391.475 3.745 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(OCC(F)F)c3)nc2)n1 ZINC000068698281 854611942 /nfs/dbraw/zinc/61/19/42/854611942.db2.gz ZXNHVOLCWJBKAQ-UHFFFAOYSA-N -1 3 386.402 3.650 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)c(=O)c2c(OC)c1 ZINC000624034344 862598596 /nfs/dbraw/zinc/59/85/96/862598596.db2.gz LEQIAYSGCDLWSP-DHSIGJKJSA-N -1 3 384.476 3.586 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC[C@@H](c3ccccc3)C(C)C)c(=O)c2c(OC)c1 ZINC000624037756 862600711 /nfs/dbraw/zinc/60/07/11/862600711.db2.gz GXVWLKZHUZSDBS-QGZVFWFLSA-N -1 3 394.471 3.715 20 0 GHADHM O=S(=O)([N-]Cc1csc(C(F)(F)F)c1)c1cccnc1C(F)(F)F ZINC000625616837 862609102 /nfs/dbraw/zinc/60/91/02/862609102.db2.gz SYMDLKLYCKVFBX-UHFFFAOYSA-N -1 3 390.330 3.659 20 0 GHADHM CC[C@H]1C[C@@H](CC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000520448866 854881875 /nfs/dbraw/zinc/88/18/75/854881875.db2.gz VTSVKJXSAWIFTM-JSGCOSHPSA-N -1 3 377.872 3.694 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)c2cnc3cc(OC)cc(OC)c3c2[O-])cc1 ZINC000624563076 854902600 /nfs/dbraw/zinc/90/26/00/854902600.db2.gz UHRQXDGMMLDYNA-CYBMUJFWSA-N -1 3 396.443 3.975 20 0 GHADHM COc1cc(C(=O)NCC2(c3cccc(F)c3F)CCCC2)cc(OC)c1[O-] ZINC000427573182 855017899 /nfs/dbraw/zinc/01/78/99/855017899.db2.gz IYMOGAPAUAXFIK-UHFFFAOYSA-N -1 3 391.414 3.929 20 0 GHADHM C[C@H](Nc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1)c1ccccc1 ZINC000589690451 855110057 /nfs/dbraw/zinc/11/00/57/855110057.db2.gz OBROFFIKZCMGAM-INIZCTEOSA-N -1 3 389.455 3.934 20 0 GHADHM CC(C)(C)C1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482049891 862642483 /nfs/dbraw/zinc/64/24/83/862642483.db2.gz OMGDAHJLWCADGF-UHFFFAOYSA-N -1 3 379.302 3.809 20 0 GHADHM CCCCc1nc(NC(=O)C[C@]2(C)CC2(Cl)Cl)c(C(=O)OCC)[n-]1 ZINC001128074013 855230648 /nfs/dbraw/zinc/23/06/48/855230648.db2.gz ORZZXLLGOHLQCF-OAHLLOKOSA-N -1 3 376.284 3.842 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1cc(F)ccc1F ZINC000190137404 855285754 /nfs/dbraw/zinc/28/57/54/855285754.db2.gz PKRBZDYQSKKEDE-ZDUSSCGKSA-N -1 3 389.445 3.551 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000055594918 855355741 /nfs/dbraw/zinc/35/57/41/855355741.db2.gz SWQKLIXWDXYHAI-UHFFFAOYSA-N -1 3 376.478 3.770 20 0 GHADHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000055620532 855361319 /nfs/dbraw/zinc/36/13/19/855361319.db2.gz ZGQURVOOEAQYOA-UHFFFAOYSA-N -1 3 392.786 3.519 20 0 GHADHM CCOC(=O)c1cnn(C2CCN(Cc3cccc([O-])c3Cl)CC2)c1C ZINC000590366512 855381801 /nfs/dbraw/zinc/38/18/01/855381801.db2.gz BKZGSYGNVNXQSI-UHFFFAOYSA-N -1 3 377.872 3.564 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000055977700 855444903 /nfs/dbraw/zinc/44/49/03/855444903.db2.gz QPBFRHFEVJQNLQ-UHFFFAOYSA-N -1 3 376.873 3.630 20 0 GHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1ccc(F)cc1I ZINC000417541897 855535584 /nfs/dbraw/zinc/53/55/84/855535584.db2.gz ZEEQUTOLEZUMAU-GHMZBOCLSA-N -1 3 393.240 3.799 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C ZINC001128100446 855545409 /nfs/dbraw/zinc/54/54/09/855545409.db2.gz HRQGBZJBBXCHBA-YADCUYRUSA-N -1 3 376.453 3.545 20 0 GHADHM Cc1nc(CCCNCc2cccc(F)c2Br)sc1C(=O)[O-] ZINC000417551185 855552093 /nfs/dbraw/zinc/55/20/93/855552093.db2.gz YRYXOIITFOUKCO-UHFFFAOYSA-N -1 3 387.274 3.774 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)[n-]1 ZINC000590746101 855561197 /nfs/dbraw/zinc/56/11/97/855561197.db2.gz ADFVEQBXZGTPRD-UHFFFAOYSA-N -1 3 381.404 3.619 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)c[n-]1 ZINC000590746101 855561202 /nfs/dbraw/zinc/56/12/02/855561202.db2.gz ADFVEQBXZGTPRD-UHFFFAOYSA-N -1 3 381.404 3.619 20 0 GHADHM Cc1ccccc1C[C@@H](CNCc1c(F)cccc1Br)C(=O)[O-] ZINC000417564836 855615461 /nfs/dbraw/zinc/61/54/61/855615461.db2.gz LDTXAPVOPOEUEN-AWEZNQCLSA-N -1 3 380.257 3.930 20 0 GHADHM COCCn1cc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000417566222 855627445 /nfs/dbraw/zinc/62/74/45/855627445.db2.gz IDYULAWLEADUAB-MRXNPFEDSA-N -1 3 386.279 3.532 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000520553768 855630404 /nfs/dbraw/zinc/63/04/04/855630404.db2.gz MIUUHODVUJESAE-UHFFFAOYSA-N -1 3 390.439 3.931 20 0 GHADHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614618644 855799196 /nfs/dbraw/zinc/79/91/96/855799196.db2.gz IVPFBDMPHSWLBE-UHFFFAOYSA-N -1 3 375.277 3.574 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000101570188 855875902 /nfs/dbraw/zinc/87/59/02/855875902.db2.gz CSZYALJWWWTTME-MNOVXSKESA-N -1 3 399.818 3.526 20 0 GHADHM CCc1sc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1C ZINC000108543756 855932439 /nfs/dbraw/zinc/93/24/39/855932439.db2.gz POEYFTWMLUDRIV-UHFFFAOYSA-N -1 3 382.507 3.641 20 0 GHADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000591388606 855941879 /nfs/dbraw/zinc/94/18/79/855941879.db2.gz QTZRPUWPEDHDLO-GFCCVEGCSA-N -1 3 378.897 3.932 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)cc1Cl ZINC000591390175 855943477 /nfs/dbraw/zinc/94/34/77/855943477.db2.gz HUIFOBDTVVAINS-QWHCGFSZSA-N -1 3 390.908 3.931 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc4c(c3)CCC4)c2)n1 ZINC000049302160 855962250 /nfs/dbraw/zinc/96/22/50/855962250.db2.gz GRSQHAFERPIJBU-UHFFFAOYSA-N -1 3 389.455 3.506 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000591436212 855985647 /nfs/dbraw/zinc/98/56/47/855985647.db2.gz NUDPBABJYVGQTB-MRXNPFEDSA-N -1 3 389.238 3.854 20 0 GHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000427619392 856000617 /nfs/dbraw/zinc/00/06/17/856000617.db2.gz YDBYXMDEUHWPFX-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM CC(C)n1ncc2cc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cnc21 ZINC000485127436 856125252 /nfs/dbraw/zinc/12/52/52/856125252.db2.gz LDJXNVVMJXYKEI-UHFFFAOYSA-N -1 3 387.403 3.796 20 0 GHADHM CC(C)n1ncc2cc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cnc21 ZINC000485127436 856125257 /nfs/dbraw/zinc/12/52/57/856125257.db2.gz LDJXNVVMJXYKEI-UHFFFAOYSA-N -1 3 387.403 3.796 20 0 GHADHM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000032088853 856207879 /nfs/dbraw/zinc/20/78/79/856207879.db2.gz OXKDTVWVWPWJTM-UHFFFAOYSA-N -1 3 388.533 3.824 20 0 GHADHM CCOc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nc1 ZINC000674370391 856221389 /nfs/dbraw/zinc/22/13/89/856221389.db2.gz GGFDPPNEPBAKQD-UHFFFAOYSA-N -1 3 379.445 3.607 20 0 GHADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)c2)n1 ZINC000171704143 856237925 /nfs/dbraw/zinc/23/79/25/856237925.db2.gz IMZMWCXDZVGBOT-ZDUSSCGKSA-N -1 3 381.457 3.576 20 0 GHADHM CN1CCN(Cn2c(=S)[n-]nc2Cc2cccs2)[C@@H](c2ccccc2)C1 ZINC000058205861 856282547 /nfs/dbraw/zinc/28/25/47/856282547.db2.gz LGTPEJLSFVAGNR-QGZVFWFLSA-N -1 3 385.562 3.539 20 0 GHADHM CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000520744922 856313486 /nfs/dbraw/zinc/31/34/86/856313486.db2.gz FAEWMHINBQRXMJ-AWEZNQCLSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000507815584 856317127 /nfs/dbraw/zinc/31/71/27/856317127.db2.gz RIIAOQIAPQVDGL-SWLSCSKDSA-N -1 3 379.888 3.594 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1 ZINC000573651544 856370930 /nfs/dbraw/zinc/37/09/30/856370930.db2.gz MYWJJDSPEQORRZ-UHFFFAOYSA-N -1 3 379.478 3.690 20 0 GHADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(Oc2ccnc3ccccc32)c1 ZINC000172369875 856414350 /nfs/dbraw/zinc/41/43/50/856414350.db2.gz JYXYTQWZCGELJD-QGZVFWFLSA-N -1 3 384.457 3.948 20 0 GHADHM O=C(Nc1ccncc1)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471946918 856454465 /nfs/dbraw/zinc/45/44/65/856454465.db2.gz PCLALHPYIFZNQA-UHFFFAOYSA-N -1 3 383.407 3.867 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2cc3c(cc2[O-])OCO3)s1)c1ccccc1 ZINC000436836400 856466224 /nfs/dbraw/zinc/46/62/24/856466224.db2.gz CFZGPHOFIRRXAW-GFCCVEGCSA-N -1 3 383.429 3.767 20 0 GHADHM Cc1cc([C@H]2CCCN2C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)no1 ZINC000905879928 856682913 /nfs/dbraw/zinc/68/29/13/856682913.db2.gz GTTABRWZEDRONB-GFCCVEGCSA-N -1 3 378.454 3.764 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCCC[C@@H]1c1ccco1 ZINC000482230120 862829919 /nfs/dbraw/zinc/82/99/19/862829919.db2.gz IARUIYGDPSQTLB-CQSZACIVSA-N -1 3 389.253 3.871 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000507986524 856774617 /nfs/dbraw/zinc/77/46/17/856774617.db2.gz UCGCQCJJDDEDJB-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM O=c1cc(-c2nc(Cc3ccc(Br)s3)no2)nc(C2CC2)[n-]1 ZINC000906102768 856828882 /nfs/dbraw/zinc/82/88/82/856828882.db2.gz MFDZOLMKXUILJN-UHFFFAOYSA-N -1 3 379.239 3.524 20 0 GHADHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509236363 856844089 /nfs/dbraw/zinc/84/40/89/856844089.db2.gz DIGNXAIGFGMHHH-JTQLQIEISA-N -1 3 398.750 3.568 20 0 GHADHM CCOc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)cs2)cc1 ZINC000508068512 856856972 /nfs/dbraw/zinc/85/69/72/856856972.db2.gz FUZVUMRFSIHPOK-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000508089751 856887496 /nfs/dbraw/zinc/88/74/96/856887496.db2.gz RENRLADVZUMNCD-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)cc1Cl ZINC000111367978 856899899 /nfs/dbraw/zinc/89/98/99/856899899.db2.gz YATWDVKGSZUSHJ-MLCYQJTMSA-N -1 3 396.871 3.649 20 0 GHADHM CCCCc1nc(NC(=O)c2ccccc2OC(F)F)c(C(=O)OCC)[n-]1 ZINC000485708100 856959202 /nfs/dbraw/zinc/95/92/02/856959202.db2.gz YTGQDMIJTPRKAQ-UHFFFAOYSA-N -1 3 381.379 3.783 20 0 GHADHM O=C(N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1cn[n-]n1 ZINC000181382342 862855771 /nfs/dbraw/zinc/85/57/71/862855771.db2.gz UFHQQXGMXNAYNM-MRXNPFEDSA-N -1 3 394.328 3.513 20 0 GHADHM Cc1nc(CN2CCC(CNC(=O)c3ccc4ccccc4c3[O-])CC2)oc1C ZINC000111659224 856971221 /nfs/dbraw/zinc/97/12/21/856971221.db2.gz OYAWNXJKJDWULL-UHFFFAOYSA-N -1 3 393.487 3.792 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccccn1 ZINC000181399679 862862294 /nfs/dbraw/zinc/86/22/94/862862294.db2.gz CQMCACARFICRQQ-HXUWFJFHSA-N -1 3 386.448 3.606 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1C ZINC000508191282 857029830 /nfs/dbraw/zinc/02/98/30/857029830.db2.gz NTLNUNWKKOEIDQ-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM O=c1[n-]nc(SCc2ncccc2C(F)(F)F)n1CCc1ccccc1 ZINC000428074534 857086615 /nfs/dbraw/zinc/08/66/15/857086615.db2.gz OAEXEJKDRNLQCG-UHFFFAOYSA-N -1 3 380.395 3.933 20 0 GHADHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(Br)s3)c[nH]c2c1 ZINC000485885671 857192528 /nfs/dbraw/zinc/19/25/28/857192528.db2.gz VSCANXKPDOYDNV-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3cc(=O)c4ccccc4[n-]3)s2)cs1 ZINC000057668636 857225153 /nfs/dbraw/zinc/22/51/53/857225153.db2.gz AHGNUFMHPSHYFJ-UHFFFAOYSA-N -1 3 395.509 3.994 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000574093082 857242185 /nfs/dbraw/zinc/24/21/85/857242185.db2.gz YUZOHAQAEFIOBJ-UHFFFAOYSA-N -1 3 381.668 3.989 20 0 GHADHM CN(CCN(C)c1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000107682314 857299484 /nfs/dbraw/zinc/29/94/84/857299484.db2.gz LZRFIQRYBIXNFF-UHFFFAOYSA-N -1 3 394.500 3.813 20 0 GHADHM CC(C)c1oc([C@@H]2CCCN2C(=O)c2cc(=O)[n-]cn2)nc1-c1ccccc1 ZINC000625744701 857322408 /nfs/dbraw/zinc/32/24/08/857322408.db2.gz FCXSYTBMMWUWAO-INIZCTEOSA-N -1 3 378.432 3.938 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000675448168 857364918 /nfs/dbraw/zinc/36/49/18/857364918.db2.gz QZCUXMPFMHSLFM-UHFFFAOYSA-N -1 3 386.253 3.591 20 0 GHADHM O=C(CCCc1cccc(Br)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000675448168 857364936 /nfs/dbraw/zinc/36/49/36/857364936.db2.gz 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ZINC000428243986 857564387 /nfs/dbraw/zinc/56/43/87/857564387.db2.gz HYYSRHXKCRVQKI-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1CCc2ccccc2C1 ZINC000675821815 857625931 /nfs/dbraw/zinc/62/59/31/857625931.db2.gz SBACCVAYYZSZFC-CYBMUJFWSA-N -1 3 389.293 3.759 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1C(C)C ZINC000442250057 857654825 /nfs/dbraw/zinc/65/48/25/857654825.db2.gz MICVBLPTNQTHBN-UHFFFAOYSA-N -1 3 389.477 3.520 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000181601091 862935828 /nfs/dbraw/zinc/93/58/28/862935828.db2.gz RVDPAGIZLVHGMB-SMDDNHRTSA-N -1 3 378.302 3.863 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1cc(F)ccc1F ZINC000064463927 857710481 /nfs/dbraw/zinc/71/04/81/857710481.db2.gz KGCOMBSUKSWNOO-UHFFFAOYSA-N -1 3 393.191 3.619 20 0 GHADHM COCCc1ccccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907635696 857710726 /nfs/dbraw/zinc/71/07/26/857710726.db2.gz KWDCRIDEFCMJAN-UHFFFAOYSA-N -1 3 377.466 3.931 20 0 GHADHM COc1cc(OC)cc(N(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000907641207 857712055 /nfs/dbraw/zinc/71/20/55/857712055.db2.gz GQVOXTJHBJZNRZ-UHFFFAOYSA-N -1 3 393.465 3.784 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731347 857734808 /nfs/dbraw/zinc/73/48/08/857734808.db2.gz NOJGNOMFLRXZIN-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731347 857734811 /nfs/dbraw/zinc/73/48/11/857734811.db2.gz NOJGNOMFLRXZIN-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM Cc1cn(-c2ccccc2)nc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000676140783 857759799 /nfs/dbraw/zinc/75/97/99/857759799.db2.gz FBSRHWJQFJKQEF-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM CCN(CC)[C@H](CNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccsc1 ZINC000907797531 857784257 /nfs/dbraw/zinc/78/42/57/857784257.db2.gz CZBJEMOAXXOFGD-OPYAIIAOSA-N -1 3 386.517 3.506 20 0 GHADHM CN(C(=O)CN1CCC[C@@H](CC(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000676232591 857797455 /nfs/dbraw/zinc/79/74/55/857797455.db2.gz DHRLKIRFHSYNEO-SBUREZEXSA-N -1 3 398.478 3.560 20 0 GHADHM COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065770062 857846831 /nfs/dbraw/zinc/84/68/31/857846831.db2.gz AARFEUKVMPKHDS-LJQANCHMSA-N -1 3 393.443 3.728 20 0 GHADHM O=C([N-]CC1CCN(Cc2csc(-c3cccs3)n2)CC1)C(F)(F)F ZINC000281315671 862965343 /nfs/dbraw/zinc/96/53/43/862965343.db2.gz QTRXPGKPSGKXRN-UHFFFAOYSA-N -1 3 389.468 3.762 20 0 GHADHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000066473679 857936889 /nfs/dbraw/zinc/93/68/89/857936889.db2.gz CEMDPBBYACQJPD-HUUCEWRRSA-N -1 3 396.491 3.598 20 0 GHADHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000066473673 857936907 /nfs/dbraw/zinc/93/69/07/857936907.db2.gz CEMDPBBYACQJPD-LSDHHAIUSA-N -1 3 396.491 3.598 20 0 GHADHM COc1cnc2ccccc2c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000574524772 858043512 /nfs/dbraw/zinc/04/35/12/858043512.db2.gz JYSQKECOXJZZQG-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1cnccc1C(F)(F)F ZINC000442760976 858099639 /nfs/dbraw/zinc/09/96/39/858099639.db2.gz WIUGGLJQBCQJTP-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc3ccn(C(F)F)c3c2)CCCC1 ZINC000594701352 858272729 /nfs/dbraw/zinc/27/27/29/858272729.db2.gz LOOOUMCANRWZND-UHFFFAOYSA-N -1 3 386.420 3.512 20 0 GHADHM C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000733522344 863004765 /nfs/dbraw/zinc/00/47/65/863004765.db2.gz JNFZCGNZWGZSNX-NSHDSACASA-N -1 3 399.390 3.760 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)c1ccccc1 ZINC000443022817 858301362 /nfs/dbraw/zinc/30/13/62/858301362.db2.gz IJLOZMBAFCLDQB-AWEZNQCLSA-N -1 3 393.480 3.647 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1ccco1 ZINC000443011110 858309778 /nfs/dbraw/zinc/30/97/78/858309778.db2.gz BUTBFYWGHGQVBE-FQEVSTJZSA-N -1 3 387.457 3.673 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)CCCC2 ZINC000443104164 858362325 /nfs/dbraw/zinc/36/23/25/858362325.db2.gz DJJVYWQCVDVEHG-CYBMUJFWSA-N -1 3 391.464 3.531 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@H](C)CC2)cc1OC ZINC000443162550 858415849 /nfs/dbraw/zinc/41/58/49/858415849.db2.gz RCLVHNIGARHLMF-UONOGXRCSA-N -1 3 383.514 3.547 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1cccnc1)c1cccc(Cl)c1F ZINC000522024761 858535552 /nfs/dbraw/zinc/53/55/52/858535552.db2.gz HUYVSCGAWODYKF-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM CCN(CCC(F)(F)F)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000605404552 863038815 /nfs/dbraw/zinc/03/88/15/863038815.db2.gz MZSMIZMTJNDFJE-UHFFFAOYSA-N -1 3 396.287 3.841 20 0 GHADHM Cc1cc2c(o1)c(C(=O)N=c1cc(-c3ccncc3)[n-][nH]1)ccc2Br ZINC000443357691 858590577 /nfs/dbraw/zinc/59/05/77/858590577.db2.gz LKMYPOMNJTXRIQ-UHFFFAOYSA-N -1 3 397.232 3.963 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@@H](C)CC(C)(C)C ZINC000443396474 858637621 /nfs/dbraw/zinc/63/76/21/858637621.db2.gz XAANGKLRZVAXAR-OAHLLOKOSA-N -1 3 384.524 3.652 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3cc(S(C)(=O)=O)ccc3F)s2)o1 ZINC000033158420 858703111 /nfs/dbraw/zinc/70/31/11/858703111.db2.gz ZOOLGLFWDMXJNA-UHFFFAOYSA-N -1 3 394.449 3.815 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c[nH]nc3C(C)C)cc2)cc1 ZINC000188930287 881346514 /nfs/dbraw/zinc/34/65/14/881346514.db2.gz QWINNVLYXPUZRV-UHFFFAOYSA-N -1 3 398.488 3.895 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(Oc3ccc(OC)cc3)cc2)[n-]1 ZINC000895233496 858822677 /nfs/dbraw/zinc/82/26/77/858822677.db2.gz OLHSHEPMJZXSJP-AWEZNQCLSA-N -1 3 396.447 3.633 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000443494858 858831718 /nfs/dbraw/zinc/83/17/18/858831718.db2.gz AIHBBJMHOZQTMI-UHFFFAOYSA-N -1 3 384.295 3.757 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000443503926 858852107 /nfs/dbraw/zinc/85/21/07/858852107.db2.gz UDMJBZROMKYMLQ-SNVBAGLBSA-N -1 3 389.445 3.544 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3ccnc4ccccc43)nc(=O)c2c1C ZINC000068054352 858862068 /nfs/dbraw/zinc/86/20/68/858862068.db2.gz QDLOSCSLUXQXJP-UHFFFAOYSA-N -1 3 397.481 3.920 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCC3=CCCC3)cs2)c1 ZINC000184076655 858870869 /nfs/dbraw/zinc/87/08/69/858870869.db2.gz LDCNGUAKNMEMDY-UHFFFAOYSA-N -1 3 385.489 3.569 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000522251382 858905222 /nfs/dbraw/zinc/90/52/22/858905222.db2.gz VADNMCXWWNLHOC-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000522251382 858905225 /nfs/dbraw/zinc/90/52/25/858905225.db2.gz VADNMCXWWNLHOC-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000482864920 858915388 /nfs/dbraw/zinc/91/53/88/858915388.db2.gz IPIWULJXIXNDBB-UHFFFAOYSA-N -1 3 399.392 3.664 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000482895078 858955790 /nfs/dbraw/zinc/95/57/90/858955790.db2.gz TWHCUAVJEPIIPP-UHFFFAOYSA-N -1 3 399.392 3.664 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c(=O)[n-]1 ZINC000068361170 859000982 /nfs/dbraw/zinc/00/09/82/859000982.db2.gz CUTMMRXKZSJFKU-AWEZNQCLSA-N -1 3 376.460 3.741 20 0 GHADHM COc1cccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)cs2)c1OC ZINC000543618185 859037651 /nfs/dbraw/zinc/03/76/51/859037651.db2.gz QPTQYOWVNLBWDY-UHFFFAOYSA-N -1 3 391.470 3.507 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c(=O)[n-]1 ZINC000051412311 859111824 /nfs/dbraw/zinc/11/18/24/859111824.db2.gz LXUFHJBNBLEXRN-UHFFFAOYSA-N -1 3 396.878 3.833 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCOc3ccccc3C)nc2)n1 ZINC000068669141 859140785 /nfs/dbraw/zinc/14/07/85/859140785.db2.gz SPDXGMRYYXAZIQ-UHFFFAOYSA-N -1 3 378.476 3.608 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)s2)c1 ZINC000193474593 859165182 /nfs/dbraw/zinc/16/51/82/859165182.db2.gz HJGJTTOIGCDRJL-UHFFFAOYSA-N -1 3 391.836 3.586 20 0 GHADHM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000509393368 859284024 /nfs/dbraw/zinc/28/40/24/859284024.db2.gz XYHRABFAUULHMO-UHFFFAOYSA-N -1 3 384.432 3.932 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)C1 ZINC000923472028 859342441 /nfs/dbraw/zinc/34/24/41/859342441.db2.gz SXDADJTVTATOAK-REWPJTCUSA-N -1 3 396.487 3.952 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000923468219 859344222 /nfs/dbraw/zinc/34/42/22/859344222.db2.gz RJDYVDCYIONYFE-XIKOKIGWSA-N -1 3 387.307 3.747 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000923469426 859347362 /nfs/dbraw/zinc/34/73/62/859347362.db2.gz DRCGWGDVVPCFMV-HXUWFJFHSA-N -1 3 390.505 3.904 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)c1Cl ZINC000751213972 859387710 /nfs/dbraw/zinc/38/77/10/859387710.db2.gz DMOOFQRAUVASPL-ZDUSSCGKSA-N -1 3 394.707 3.967 20 0 GHADHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000543687013 859453134 /nfs/dbraw/zinc/45/31/34/859453134.db2.gz IUZKDTLMAMDUKQ-UHFFFAOYSA-N -1 3 383.407 3.718 20 0 GHADHM O=C(OCc1ccc(C(F)F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000764520015 859481666 /nfs/dbraw/zinc/48/16/66/859481666.db2.gz BOJKOAIZQLNBSB-MRXNPFEDSA-N -1 3 375.371 3.678 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)n1 ZINC000114313493 859541513 /nfs/dbraw/zinc/54/15/13/859541513.db2.gz VFBATUJXUZKCRD-UHFFFAOYSA-N -1 3 387.461 3.683 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(COc2cccc(F)c2)c1 ZINC000114319810 859542403 /nfs/dbraw/zinc/54/24/03/859542403.db2.gz AJKJJSIOUNITJC-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(COc2cccc(F)c2)c1 ZINC000114319810 859542415 /nfs/dbraw/zinc/54/24/15/859542415.db2.gz AJKJJSIOUNITJC-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM C[C@@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000739033354 859545269 /nfs/dbraw/zinc/54/52/69/859545269.db2.gz IDGDHKNEZXRYLY-GFCCVEGCSA-N -1 3 387.402 3.593 20 0 GHADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cccc(S(C)(=O)=O)c2)cc1 ZINC000417569270 859585294 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Cc1nc2sccn2c1CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000474288134 859765269 /nfs/dbraw/zinc/76/52/69/859765269.db2.gz XVJJDXHQAGUOTQ-UHFFFAOYSA-N -1 3 379.445 3.731 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc1[O-] ZINC000597778041 859810905 /nfs/dbraw/zinc/81/09/05/859810905.db2.gz HUHQGNXCYYJVGJ-INIZCTEOSA-N -1 3 375.465 3.711 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCc3ccco3)cc2)cc1 ZINC000052929349 859916037 /nfs/dbraw/zinc/91/60/37/859916037.db2.gz RSHIPFYQVLKUPX-UHFFFAOYSA-N -1 3 384.457 3.960 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000499839981 859984922 /nfs/dbraw/zinc/98/49/22/859984922.db2.gz NAFZQTQZNUGFBW-UHFFFAOYSA-N -1 3 391.836 3.619 20 0 GHADHM Cc1cc(C)cc(OCCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000428855514 860007312 /nfs/dbraw/zinc/00/73/12/860007312.db2.gz GSBHJTJZAXCHJS-UHFFFAOYSA-N -1 3 378.266 3.857 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccccn1 ZINC000921523906 860015407 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Cc1nc(F)ccc1CN[C@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072712 860098942 /nfs/dbraw/zinc/09/89/42/860098942.db2.gz VKMZDGUAEYUBDF-OAHLLOKOSA-N -1 3 381.245 3.987 20 0 GHADHM CC(C)n1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000904072729 860099081 /nfs/dbraw/zinc/09/90/81/860099081.db2.gz WHLOVASGVRHIML-INIZCTEOSA-N -1 3 380.286 3.922 20 0 GHADHM C[S@@](=O)Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1Cl ZINC000115724930 860105693 /nfs/dbraw/zinc/10/56/93/860105693.db2.gz ABHSZCJAXBBSRY-SANMLTNESA-N -1 3 393.892 3.890 20 0 GHADHM CC(C)(c1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1)C(F)(F)F ZINC000429690424 860135318 /nfs/dbraw/zinc/13/53/18/860135318.db2.gz RVOHJHAOZLMNGE-UHFFFAOYSA-N -1 3 395.307 3.985 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000598204658 860149255 /nfs/dbraw/zinc/14/92/55/860149255.db2.gz WYLWFXHGTLZOGV-HNNXBMFYSA-N -1 3 395.459 3.535 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(Br)c3C)n[n-]2)o1 ZINC000484594292 860154720 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GHADHM COc1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c(OC)c1OC ZINC000727721613 860202131 /nfs/dbraw/zinc/20/21/31/860202131.db2.gz KTUPYWJFCPXNDB-KHPPLWFESA-N -1 3 383.853 3.778 20 0 GHADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000443741765 860222269 /nfs/dbraw/zinc/22/22/69/860222269.db2.gz DEABUKRGWRBPAJ-SECBINFHSA-N -1 3 377.293 3.989 20 0 GHADHM CCN(Cc1ccc2c(c1)OCO2)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000058372953 860234468 /nfs/dbraw/zinc/23/44/68/860234468.db2.gz XBNZFRMDZMRSMH-UHFFFAOYSA-N -1 3 377.400 3.832 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@@H](c3ccccc3)C3CCOCC3)o2)CC1 ZINC000904219187 860240324 /nfs/dbraw/zinc/24/03/24/860240324.db2.gz WKOGPHMWABDKOK-QFIPXVFZSA-N -1 3 398.503 3.838 20 0 GHADHM CO[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccc(Cl)cc1 ZINC000904220141 860242542 /nfs/dbraw/zinc/24/25/42/860242542.db2.gz LYLIOHZHOOBXRO-SFHVURJKSA-N -1 3 392.883 3.711 20 0 GHADHM CN(Cc1cccc(F)c1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602734869 860244059 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GHADHM CCc1nc(CN2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cs1 ZINC000471867074 860556479 /nfs/dbraw/zinc/55/64/79/860556479.db2.gz ZHYUFFVFZZHASH-UHFFFAOYSA-N -1 3 381.501 3.522 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)ccc1OC(C)C ZINC000026949919 860604856 /nfs/dbraw/zinc/60/48/56/860604856.db2.gz OHNQTEINJABYPR-CQSZACIVSA-N -1 3 380.444 3.815 20 0 GHADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000494340507 881558918 /nfs/dbraw/zinc/55/89/18/881558918.db2.gz KSIJFHTVSSFZPC-MRVPVSSYSA-N -1 3 392.212 3.988 20 0 GHADHM O=C(NCc1ccnc(OCc2ccccc2)c1)NCc1ccc([O-])c(F)c1 ZINC000156138249 860691779 /nfs/dbraw/zinc/69/17/79/860691779.db2.gz OVTPBPAMVGHXFR-UHFFFAOYSA-N -1 3 381.407 3.505 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cccnc1Oc1cccc(F)c1 ZINC000156159743 860697309 /nfs/dbraw/zinc/69/73/09/860697309.db2.gz VTIHNTGFBZHADU-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000474773761 860751251 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GHADHM Nc1nn2c([n-]1)nc(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)cc2=O ZINC000120409245 881586503 /nfs/dbraw/zinc/58/65/03/881586503.db2.gz WJRGCOFXFUCPOJ-KRWDZBQOSA-N -1 3 397.891 3.676 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cc1F ZINC000186644351 860883998 /nfs/dbraw/zinc/88/39/98/860883998.db2.gz YSFCUHXARSLVDK-UHFFFAOYSA-N -1 3 386.192 3.526 20 0 GHADHM CC(C)c1[nH]ncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000189102270 881594015 /nfs/dbraw/zinc/59/40/15/881594015.db2.gz VHHFZXKTOPIKJM-UHFFFAOYSA-N -1 3 384.461 3.586 20 0 GHADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000603626496 860928120 /nfs/dbraw/zinc/92/81/20/860928120.db2.gz HSZYBOGNAPXDJV-UHFFFAOYSA-N -1 3 381.226 3.529 20 0 GHADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625124009 860978022 /nfs/dbraw/zinc/97/80/22/860978022.db2.gz XFKMLVJXNDFHCX-QMMMGPOBSA-N -1 3 395.321 3.603 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(Br)c1[O-] ZINC000730364000 861072467 /nfs/dbraw/zinc/07/24/67/861072467.db2.gz AIEDIJCKKGANBV-UHFFFAOYSA-N -1 3 375.178 3.562 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730364458 861074718 /nfs/dbraw/zinc/07/47/18/861074718.db2.gz GHXOASDPBHCVSM-GFCCVEGCSA-N -1 3 392.249 3.956 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)(C(=O)OC)c1ccccc1 ZINC000730421064 861103199 /nfs/dbraw/zinc/10/31/99/861103199.db2.gz RLGTZNWLXUUJKI-KQDNUWKFSA-N -1 3 393.892 3.709 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc(Cl)cn3)nc(=O)c2c1C ZINC000792704567 881631685 /nfs/dbraw/zinc/63/16/85/881631685.db2.gz KTRFUMIMRUTJOI-SECBINFHSA-N -1 3 377.853 3.909 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909554116 863213277 /nfs/dbraw/zinc/21/32/77/863213277.db2.gz UUBWDONUXMNFLU-UTKZUKDTSA-N -1 3 380.488 3.670 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccc(Oc2cnccn2)c1 ZINC000605879835 863290986 /nfs/dbraw/zinc/29/09/86/863290986.db2.gz JLHUULQXZQJZNB-UHFFFAOYSA-N -1 3 391.818 3.987 20 0 GHADHM O=C([N-]CC1CCN(C(=O)c2ccc(F)c3ccccc23)CC1)C(F)(F)F ZINC000281680258 863322851 /nfs/dbraw/zinc/32/28/51/863322851.db2.gz KNQSFQGAZPZWFH-UHFFFAOYSA-N -1 3 382.357 3.510 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)c(C)o1 ZINC000182792428 863356581 /nfs/dbraw/zinc/35/65/81/863356581.db2.gz GPKFMLBJHVUPCM-UHFFFAOYSA-N -1 3 396.896 3.977 20 0 GHADHM CCOc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482619412 863391651 /nfs/dbraw/zinc/39/16/51/863391651.db2.gz VNAINVWSQFTZHT-UHFFFAOYSA-N -1 3 393.281 3.861 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000606537320 863694058 /nfs/dbraw/zinc/69/40/58/863694058.db2.gz AVKPFAXMEXKNOI-UHFFFAOYSA-N -1 3 380.206 3.954 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000532291624 881695775 /nfs/dbraw/zinc/69/57/75/881695775.db2.gz QTULKJSNQWPRHI-UHFFFAOYSA-N -1 3 380.441 3.620 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(OC(C)C)c1 ZINC000480027547 863874602 /nfs/dbraw/zinc/87/46/02/863874602.db2.gz AZHIZVXSXGGOOS-UHFFFAOYSA-N -1 3 381.436 3.695 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(OC(C)C)c1 ZINC000480027547 863874609 /nfs/dbraw/zinc/87/46/09/863874609.db2.gz AZHIZVXSXGGOOS-UHFFFAOYSA-N -1 3 381.436 3.695 20 0 GHADHM C[C@@H]1CC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@@H](C)C1 ZINC000606884230 863889532 /nfs/dbraw/zinc/88/95/32/863889532.db2.gz XXVMHIXNMFJNLA-STQMWFEESA-N -1 3 393.484 3.509 20 0 GHADHM COc1ccccc1SC[C@@H](C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000103456053 863993015 /nfs/dbraw/zinc/99/30/15/863993015.db2.gz KGZQJYJFWPCLEJ-AWEZNQCLSA-N -1 3 382.485 3.695 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3nccs3)cc2)cc1 ZINC000042754622 864065748 /nfs/dbraw/zinc/06/57/48/864065748.db2.gz BQVGJJKHBIDSJY-UHFFFAOYSA-N -1 3 388.474 3.896 20 0 GHADHM CCCn1c(C)cc(-c2csc([N-]C(=O)c3nnn(C(C)(C)C)n3)n2)c1C ZINC000621334771 864090061 /nfs/dbraw/zinc/09/00/61/864090061.db2.gz QVQRURXLAJIMFJ-UHFFFAOYSA-N -1 3 387.513 3.632 20 0 GHADHM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[N-]OCc3ccc(F)cc3)C2)c1 ZINC000184209655 864204182 /nfs/dbraw/zinc/20/41/82/864204182.db2.gz UOGSRCFMTQSJED-GOSISDBHSA-N -1 3 384.451 3.543 20 0 GHADHM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000184242619 864274668 /nfs/dbraw/zinc/27/46/68/864274668.db2.gz CRHYJNTYEFKSJH-PXUDHTSWSA-N -1 3 379.865 3.920 20 0 GHADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000104609767 864347233 /nfs/dbraw/zinc/34/72/33/864347233.db2.gz GWNLKHQDFIIEMA-GUYCJALGSA-N -1 3 376.453 3.545 20 0 GHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000621654905 864352716 /nfs/dbraw/zinc/35/27/16/864352716.db2.gz PGBKGIROEFLYFP-INIZCTEOSA-N -1 3 391.471 3.965 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1OC ZINC000192773661 864496066 /nfs/dbraw/zinc/49/60/66/864496066.db2.gz CFBRHJXUFOLFPP-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnc(-c3ccccc3)nc1)CC2 ZINC000184464372 864546374 /nfs/dbraw/zinc/54/63/74/864546374.db2.gz NNVPCHJIXOIRDG-UHFFFAOYSA-N -1 3 393.468 3.881 20 0 GHADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2)nn1 ZINC000607616423 864560664 /nfs/dbraw/zinc/56/06/64/864560664.db2.gz OAXKWMLJEXWMSW-UHFFFAOYSA-N -1 3 392.440 3.926 20 0 GHADHM [O-]c1ccc(Br)cc1/C=N/C1CCC(O)(c2cccnc2)CC1 ZINC000184531690 864637553 /nfs/dbraw/zinc/63/75/53/864637553.db2.gz AXIHHVCPAYNIMG-SRZZPIQSSA-N -1 3 375.266 3.799 20 0 GHADHM O=c1[n-]c(SCCOCC(F)F)nc2c1cnn2-c1cccc(Cl)c1 ZINC000671163134 864690544 /nfs/dbraw/zinc/69/05/44/864690544.db2.gz XOFPNMJRIJDYMY-UHFFFAOYSA-N -1 3 386.811 3.548 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(OC(C)C)cc2)ccc1F ZINC000735250588 864698008 /nfs/dbraw/zinc/69/80/08/864698008.db2.gz CBNJXCLZNLGSPX-UHFFFAOYSA-N -1 3 395.452 3.519 20 0 GHADHM CSc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n[n-]1 ZINC000480495778 864734745 /nfs/dbraw/zinc/73/47/45/864734745.db2.gz VGCMORFXHLZQMK-IRXDYDNUSA-N -1 3 380.473 3.848 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1Cc1ccccc1 ZINC000173458745 864738715 /nfs/dbraw/zinc/73/87/15/864738715.db2.gz BFASAUQAMCFFHQ-HNNXBMFYSA-N -1 3 381.501 3.853 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]1n1cccn1 ZINC000622094119 864770126 /nfs/dbraw/zinc/77/01/26/864770126.db2.gz CHRJISUBGNTIPE-OAGGEKHMSA-N -1 3 397.397 3.535 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1Br)c1nccs1 ZINC000156274130 864851648 /nfs/dbraw/zinc/85/16/48/864851648.db2.gz PBENNVWDGPIOSN-SNVBAGLBSA-N -1 3 375.313 3.644 20 0 GHADHM CCSc1ccc(Cl)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480556809 864856286 /nfs/dbraw/zinc/85/62/86/864856286.db2.gz RVKIHEYUVANBFW-UHFFFAOYSA-N -1 3 379.795 3.911 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000622282524 864906428 /nfs/dbraw/zinc/90/64/28/864906428.db2.gz YBRPKVIAIWDLSS-UHFFFAOYSA-N -1 3 395.286 3.536 20 0 GHADHM CC(C)n1ccnc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735964659 865075205 /nfs/dbraw/zinc/07/52/05/865075205.db2.gz CYFGIOLBSCJOKN-UHFFFAOYSA-N -1 3 377.477 3.998 20 0 GHADHM CC(C)n1ccnc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735964659 865075221 /nfs/dbraw/zinc/07/52/21/865075221.db2.gz CYFGIOLBSCJOKN-UHFFFAOYSA-N -1 3 377.477 3.998 20 0 GHADHM CC(C)(C)c1cnc(CCC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000554888977 865095051 /nfs/dbraw/zinc/09/50/51/865095051.db2.gz RJSYBAWXHUPZKQ-UHFFFAOYSA-N -1 3 381.270 3.689 20 0 GHADHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)o1 ZINC000480751470 865199292 /nfs/dbraw/zinc/19/92/92/865199292.db2.gz QRDGHHNPDPRVSU-UHFFFAOYSA-N -1 3 399.877 3.721 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000828198160 865235504 /nfs/dbraw/zinc/23/55/04/865235504.db2.gz QYHSMBFTMCVJGQ-UHFFFAOYSA-N -1 3 377.366 3.883 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000608359895 865257435 /nfs/dbraw/zinc/25/74/35/865257435.db2.gz WSIVWTBVIBLGNG-CVEARBPZSA-N -1 3 395.846 3.665 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cs1 ZINC000737471861 865398720 /nfs/dbraw/zinc/39/87/20/865398720.db2.gz VMWIRJPEUMYOPE-CYBMUJFWSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1nc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cs1 ZINC000737471861 865398734 /nfs/dbraw/zinc/39/87/34/865398734.db2.gz VMWIRJPEUMYOPE-CYBMUJFWSA-N -1 3 399.524 3.560 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2)ccc1F ZINC000763763048 865454783 /nfs/dbraw/zinc/45/47/83/865454783.db2.gz AAIPTXIJXWTGKT-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@H]1COc2ccccc21 ZINC000738206827 865501655 /nfs/dbraw/zinc/50/16/55/865501655.db2.gz HMKMPHDSTNMSJG-AWEZNQCLSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@H]1COc2ccccc21 ZINC000738206827 865501661 /nfs/dbraw/zinc/50/16/61/865501661.db2.gz HMKMPHDSTNMSJG-AWEZNQCLSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)[C@@H]1COc2ccccc21 ZINC000738206832 865501864 /nfs/dbraw/zinc/50/18/64/865501864.db2.gz HMKMPHDSTNMSJG-CQSZACIVSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)[C@@H]1COc2ccccc21 ZINC000738206832 865501872 /nfs/dbraw/zinc/50/18/72/865501872.db2.gz HMKMPHDSTNMSJG-CQSZACIVSA-N -1 3 395.488 3.702 20 0 GHADHM C[C@@H](NC(=O)CO[N-]C(=O)Cc1cccc2ccccc21)c1ccccc1Cl ZINC000738294365 865522417 /nfs/dbraw/zinc/52/24/17/865522417.db2.gz KKTNQWHJHSXPKR-OAHLLOKOSA-N -1 3 396.874 3.961 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccnc1Cl ZINC000738367865 865531337 /nfs/dbraw/zinc/53/13/37/865531337.db2.gz ZDRQBKMFCDJABU-PWSUYJOCSA-N -1 3 376.787 3.588 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC2CCCCC2)cc1)c1cccnc1Cl ZINC000738366387 865531715 /nfs/dbraw/zinc/53/17/15/865531715.db2.gz ISOLCSVOWWACLE-UHFFFAOYSA-N -1 3 380.897 3.925 20 0 GHADHM C[C@@H](OCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000738354008 865545044 /nfs/dbraw/zinc/54/50/44/865545044.db2.gz XLJOXWHUTHETMR-GFCCVEGCSA-N -1 3 389.304 3.835 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000737343767 865584685 /nfs/dbraw/zinc/58/46/85/865584685.db2.gz AZISIQQADMJGKF-IIDMSEBBSA-N -1 3 383.510 3.583 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480986419 865641177 /nfs/dbraw/zinc/64/11/77/865641177.db2.gz KSNIOHWPZUNVDW-GFCCVEGCSA-N -1 3 396.417 3.832 20 0 GHADHM CC(C)(C)c1nc([N-][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)no1 ZINC000302053322 865688160 /nfs/dbraw/zinc/68/81/60/865688160.db2.gz PHIKXPJWCYNNHN-ZDUSSCGKSA-N -1 3 380.395 3.576 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cnn(-c2ccccc2F)c1 ZINC000622891432 865701586 /nfs/dbraw/zinc/70/15/86/865701586.db2.gz YPVSULIBFKGCKW-UHFFFAOYSA-N -1 3 381.798 3.729 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccn(-c2cccc(F)c2)n1 ZINC000622891144 865703350 /nfs/dbraw/zinc/70/33/50/865703350.db2.gz HZERLINUWISPTD-UHFFFAOYSA-N -1 3 381.798 3.729 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@](C)(O)c3cccc(Cl)c3)nc2)n1 ZINC000302188175 865757159 /nfs/dbraw/zinc/75/71/59/865757159.db2.gz WZOPTUOKJILRFX-FQEVSTJZSA-N -1 3 384.867 3.780 20 0 GHADHM CCO[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000193715553 881915731 /nfs/dbraw/zinc/91/57/31/881915731.db2.gz LBHDLNVUSSJKLA-QGZVFWFLSA-N -1 3 393.281 3.732 20 0 GHADHM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000665711698 865900119 /nfs/dbraw/zinc/90/01/19/865900119.db2.gz XJLVSCHWOITSHH-OAHLLOKOSA-N -1 3 391.471 3.961 20 0 GHADHM COc1ccc([C@H](O)CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000740749982 865993567 /nfs/dbraw/zinc/99/35/67/865993567.db2.gz AJAHTSRRIFZENP-OAQYLSRUSA-N -1 3 379.412 3.657 20 0 GHADHM CC(C)(C)CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)OC(C)(C)C ZINC000456235320 866290282 /nfs/dbraw/zinc/29/02/82/866290282.db2.gz RNMVVJIBGIQHFW-INIZCTEOSA-N -1 3 386.492 3.795 20 0 GHADHM Cc1nc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)c(-c2ccccc2)s1 ZINC000444466057 866682300 /nfs/dbraw/zinc/68/23/00/866682300.db2.gz KOQOHQMFRDSELT-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1cccnc1C(=O)[N-]NC(=O)Nc1ccc(Br)cc1C(C)C ZINC000183407684 866711976 /nfs/dbraw/zinc/71/19/76/866711976.db2.gz FEBMTFOKOSCOQH-UHFFFAOYSA-N -1 3 391.269 3.742 20 0 GHADHM COc1cc(OC2CC2)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000478867081 866788093 /nfs/dbraw/zinc/78/80/93/866788093.db2.gz IFYGRDNGAYERBA-UHFFFAOYSA-N -1 3 378.222 3.957 20 0 GHADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640295760 882019334 /nfs/dbraw/zinc/01/93/34/882019334.db2.gz CYHXVAYJDSYHOG-GWCFXTLKSA-N -1 3 387.793 3.531 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478910570 866863261 /nfs/dbraw/zinc/86/32/61/866863261.db2.gz LKXQJLFJXBZDSX-UHFFFAOYSA-N -1 3 383.835 3.635 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)c(C)c1 ZINC000534495329 866889411 /nfs/dbraw/zinc/88/94/11/866889411.db2.gz SSECBLQDQAQYBR-UHFFFAOYSA-N -1 3 395.484 3.720 20 0 GHADHM Cc1csc([C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000737455406 866897836 /nfs/dbraw/zinc/89/78/36/866897836.db2.gz QGXVYAWXCMXMPU-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1csc([C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000737455406 866897852 /nfs/dbraw/zinc/89/78/52/866897852.db2.gz QGXVYAWXCMXMPU-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM CC1(C2(NC(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)CC2)CC1 ZINC000456650286 866923157 /nfs/dbraw/zinc/92/31/57/866923157.db2.gz QYQWBHMIUXDDJW-IBGZPJMESA-N -1 3 378.472 3.702 20 0 GHADHM CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000183640095 866988446 /nfs/dbraw/zinc/98/84/46/866988446.db2.gz AHLAZXPPPMYWSX-CABCVRRESA-N -1 3 375.494 3.613 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153667714 867013678 /nfs/dbraw/zinc/01/36/78/867013678.db2.gz XOJGTLFPUKBHSP-NHYWBVRUSA-N -1 3 387.402 3.570 20 0 GHADHM O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479039307 867054476 /nfs/dbraw/zinc/05/44/76/867054476.db2.gz DSSDJXJFPXASGV-UHFFFAOYSA-N -1 3 382.313 3.515 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000523321990 867069500 /nfs/dbraw/zinc/06/95/00/867069500.db2.gz BYSJKLYFCLNYKQ-JOYOIKCWSA-N -1 3 388.258 3.783 20 0 GHADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(F)cc1I ZINC000154019641 867209691 /nfs/dbraw/zinc/20/96/91/867209691.db2.gz GYEMYAVURZHTQB-UHFFFAOYSA-N -1 3 392.143 3.681 20 0 GHADHM Cc1cccc(F)c1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000742328482 867210213 /nfs/dbraw/zinc/21/02/13/867210213.db2.gz YAASGXKMFQCZKF-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000456828318 867216892 /nfs/dbraw/zinc/21/68/92/867216892.db2.gz DIBKKLIBBUZUBR-MJGOQNOKSA-N -1 3 396.535 3.796 20 0 GHADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000742319683 867224832 /nfs/dbraw/zinc/22/48/32/867224832.db2.gz ICSBFQOMDDKFRX-QMMMGPOBSA-N -1 3 379.240 3.576 20 0 GHADHM CC1(C)CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000170868542 882061300 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CN(CCOCc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000154657347 867533002 /nfs/dbraw/zinc/53/30/02/867533002.db2.gz RLAOFAZZRCKQCJ-UHFFFAOYSA-N -1 3 395.484 3.893 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000479441890 867764086 /nfs/dbraw/zinc/76/40/86/867764086.db2.gz SDYCJLVHPLDCNS-RISCZKNCSA-N -1 3 383.407 3.717 20 0 GHADHM CC(C)Cc1ncc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC001126856095 867769722 /nfs/dbraw/zinc/76/97/22/867769722.db2.gz RUJPVYSZTKKNPR-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3C(F)(F)F)n[n-]2)o1 ZINC000479477652 867838783 /nfs/dbraw/zinc/83/87/83/867838783.db2.gz UAXSRWQMIZVJDG-JTQLQIEISA-N -1 3 380.326 3.798 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)n3cnc4ccccc43)c2)n1 ZINC000171443984 882126647 /nfs/dbraw/zinc/12/66/47/882126647.db2.gz BBCGKGTWYUDGST-AWEZNQCLSA-N -1 3 387.443 3.549 20 0 GHADHM CCCCC[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OC ZINC001126858198 867893518 /nfs/dbraw/zinc/89/35/18/867893518.db2.gz NWKYZWZUMMXSQM-ZDUSSCGKSA-N -1 3 392.240 3.779 20 0 GHADHM O=C(Nc1cc(Cl)c([O-])cc1F)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000553685208 867934403 /nfs/dbraw/zinc/93/44/03/867934403.db2.gz YECPCDFOUZSIQJ-UHFFFAOYSA-N -1 3 375.743 3.556 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC000479604616 868169319 /nfs/dbraw/zinc/16/93/19/868169319.db2.gz VTLUXADFGJGBJG-KKUMJFAQSA-N -1 3 397.541 3.651 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC3=N[C@@H](C)CS3)nc(=O)c2c1C ZINC000766301941 868231423 /nfs/dbraw/zinc/23/14/23/868231423.db2.gz UCIAPOJWLYVFGN-IONNQARKSA-N -1 3 397.547 3.755 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCSC1)c1cccc(Br)c1Cl ZINC000553906429 868440991 /nfs/dbraw/zinc/44/09/91/868440991.db2.gz VBIDXSLDMVMDFS-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM CCOC1CC(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000553962424 868505446 /nfs/dbraw/zinc/50/54/46/868505446.db2.gz MHOQWZKCSQBEIF-UHFFFAOYSA-N -1 3 388.489 3.549 20 0 GHADHM Cc1ccc(C(=O)c2ccccc2C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1C ZINC000524133982 868612198 /nfs/dbraw/zinc/61/21/98/868612198.db2.gz FKYNOWJEFCGPAG-UHFFFAOYSA-N -1 3 396.450 3.994 20 0 GHADHM CC[C@H](Oc1ccccc1C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432660 882218594 /nfs/dbraw/zinc/21/85/94/882218594.db2.gz DEKVZFALDOUFTC-LBPRGKRZSA-N -1 3 375.778 3.625 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000744219398 868675778 /nfs/dbraw/zinc/67/57/78/868675778.db2.gz QXDHYDXMKZRHAV-UHFFFAOYSA-N -1 3 384.395 3.834 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)o2)no1 ZINC000445589979 868677094 /nfs/dbraw/zinc/67/70/94/868677094.db2.gz ZWSXLESBRTXVNI-QMMMGPOBSA-N -1 3 388.232 3.676 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)C1(c2ccc(F)cc2)CCC1 ZINC000648433962 882229683 /nfs/dbraw/zinc/22/96/83/882229683.db2.gz WTEBXQSFEJGRNX-UHFFFAOYSA-N -1 3 375.753 3.720 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C=Cc2cc(C(F)(F)F)ccc2Cl)[n-]1 ZINC000763643202 868849930 /nfs/dbraw/zinc/84/99/30/868849930.db2.gz SITJCIAEVHLKCE-ZZXKWVIFSA-N -1 3 387.745 3.911 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C=Cc2cc(C(F)(F)F)ccc2Cl)c[n-]1 ZINC000763643202 868849939 /nfs/dbraw/zinc/84/99/39/868849939.db2.gz SITJCIAEVHLKCE-ZZXKWVIFSA-N -1 3 387.745 3.911 20 0 GHADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)nc12 ZINC000503799719 868955245 /nfs/dbraw/zinc/95/52/45/868955245.db2.gz MVPGPHNHUAXTFC-UHFFFAOYSA-N -1 3 384.288 3.736 20 0 GHADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000462301936 869202918 /nfs/dbraw/zinc/20/29/18/869202918.db2.gz YVGQDOSCVOTFRB-OAHLLOKOSA-N -1 3 384.404 3.628 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000462305900 869210942 /nfs/dbraw/zinc/21/09/42/869210942.db2.gz NOCHDHWSTPOYJQ-UONOGXRCSA-N -1 3 397.846 3.985 20 0 GHADHM COc1cccc(-c2nsc(NC([O-])=Cc3ccc(-n4cccc4)cc3)n2)c1 ZINC000524519705 869219154 /nfs/dbraw/zinc/21/91/54/869219154.db2.gz KVDONBHRZOXLCE-UHFFFAOYSA-N -1 3 390.468 3.608 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)s1 ZINC000462334952 869270586 /nfs/dbraw/zinc/27/05/86/869270586.db2.gz WHFJOJQJFKHVGZ-LLVKDONJSA-N -1 3 390.349 3.944 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000462378509 869324026 /nfs/dbraw/zinc/32/40/26/869324026.db2.gz FCSPMFZRCHJQGB-MRXNPFEDSA-N -1 3 388.533 3.994 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccsc1 ZINC000462435985 869427888 /nfs/dbraw/zinc/42/78/88/869427888.db2.gz KLLXRKCDYVMJIN-OAHLLOKOSA-N -1 3 392.468 3.527 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000745465486 869590724 /nfs/dbraw/zinc/59/07/24/869590724.db2.gz RQHVKYLXTYEMCT-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000745465486 869590735 /nfs/dbraw/zinc/59/07/35/869590735.db2.gz RQHVKYLXTYEMCT-UHFFFAOYSA-N -1 3 382.383 3.927 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2ccccc2)n1 ZINC000539748258 869711331 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GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)[nH][n-]2)c1 ZINC000525239691 870233184 /nfs/dbraw/zinc/23/31/84/870233184.db2.gz MVXZZTAVPURYGM-UHFFFAOYSA-N -1 3 389.434 3.621 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(c3cccc4n[nH]cc43)CC2)c([O-])c1 ZINC001192322621 870286403 /nfs/dbraw/zinc/28/64/03/870286403.db2.gz HAPNWEJCOZJGFJ-UHFFFAOYSA-N -1 3 378.476 3.528 20 0 GHADHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)c3ccc(C(C)(C)C)cc3[O-])O2)n1 ZINC001192323968 870288385 /nfs/dbraw/zinc/28/83/85/870288385.db2.gz AGJCRVLTKXGJJB-NXHRZFHOSA-N -1 3 385.464 3.516 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2[O-])C[C@@H]1F ZINC001192322910 870288621 /nfs/dbraw/zinc/28/86/21/870288621.db2.gz RUHFRKABRGBLNZ-JKSUJKDBSA-N -1 3 394.487 3.767 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccccc1CN1CCCCC1 ZINC001192356003 870315902 /nfs/dbraw/zinc/31/59/02/870315902.db2.gz MVDTTWYFBSPRHQ-UHFFFAOYSA-N -1 3 379.913 3.830 20 0 GHADHM Cc1ccc2oc(C[N-]S(=O)(=O)c3c(Cl)nc4sccn43)cc2c1 ZINC001192581726 870511435 /nfs/dbraw/zinc/51/14/35/870511435.db2.gz BHCZNTREBYMDME-UHFFFAOYSA-N -1 3 381.866 3.582 20 0 GHADHM C[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]1C ZINC000248579634 870512567 /nfs/dbraw/zinc/51/25/67/870512567.db2.gz PVROOSHCKYBRHF-CBGDNZLLSA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000617607990 870518658 /nfs/dbraw/zinc/51/86/58/870518658.db2.gz GYXMMOMKYKGICB-NRFANRHFSA-N -1 3 392.499 3.705 20 0 GHADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)c1csc2c1CCCC2 ZINC000130114082 870546116 /nfs/dbraw/zinc/54/61/16/870546116.db2.gz UEZPBPGKKKJUDG-UHFFFAOYSA-N -1 3 397.269 3.603 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cccnc1Oc1ccccc1 ZINC001192700139 870608207 /nfs/dbraw/zinc/60/82/07/870608207.db2.gz OSGPPEGITLKRCS-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)c([O-])cc21 ZINC000461629618 870660928 /nfs/dbraw/zinc/66/09/28/870660928.db2.gz KACZFQPCYLFRPP-UHFFFAOYSA-N -1 3 399.756 3.507 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(N2CCCCC2)cc1 ZINC000737947914 870710057 /nfs/dbraw/zinc/71/00/57/870710057.db2.gz SKCNOKAMSTYQND-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(N2CCCCC2)cc1 ZINC000737947914 870710066 /nfs/dbraw/zinc/71/00/66/870710066.db2.gz SKCNOKAMSTYQND-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2CC(C)C)c1 ZINC001192874673 870717315 /nfs/dbraw/zinc/71/73/15/870717315.db2.gz JWFDJASYRQSSKT-UHFFFAOYSA-N -1 3 393.480 3.679 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC1(Cl)Cl)c1cc2nc(Cl)ccc2s1 ZINC001192894616 870751352 /nfs/dbraw/zinc/75/13/52/870751352.db2.gz CFLWSZVRWRPPNH-SSDOTTSWSA-N -1 3 385.725 3.812 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)o1 ZINC000540214319 870751175 /nfs/dbraw/zinc/75/11/75/870751175.db2.gz ZSLYHRQFCQLMKR-KRWDZBQOSA-N -1 3 376.865 3.899 20 0 GHADHM CCc1cc2c(CN[C@H](Cn3cccn3)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000746472102 870801424 /nfs/dbraw/zinc/80/14/24/870801424.db2.gz ZUNZIPDUCMTNQZ-HXUWFJFHSA-N -1 3 389.455 3.789 20 0 GHADHM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000236604626 882444818 /nfs/dbraw/zinc/44/48/18/882444818.db2.gz YSFGAQVBOHPMLG-HXUWFJFHSA-N -1 3 380.488 3.588 20 0 GHADHM COC(=O)c1sc2[n-]c(-c3ccc(Br)cc3F)nc(=O)c2c1C ZINC000446986743 870816162 /nfs/dbraw/zinc/81/61/62/870816162.db2.gz KUCAUTJFYYKGQV-UHFFFAOYSA-N -1 3 397.225 3.648 20 0 GHADHM Cc1cnc(C(=O)Nc2cc(Br)ccc2[O-])c(Br)c1 ZINC001193218725 870951210 /nfs/dbraw/zinc/95/12/10/870951210.db2.gz KOAIVRMNRFPLNI-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)CCCO2 ZINC000538978436 871019040 /nfs/dbraw/zinc/01/90/40/871019040.db2.gz ZVRGJPJMLIIDEG-UHFFFAOYSA-N -1 3 380.469 3.798 20 0 GHADHM COc1ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2c1 ZINC000804308166 871185565 /nfs/dbraw/zinc/18/55/65/871185565.db2.gz XEECQCFDSWQFAZ-HXUWFJFHSA-N -1 3 390.439 3.797 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000525677745 871217949 /nfs/dbraw/zinc/21/79/49/871217949.db2.gz MXFWYFCQZISMFG-MBNYWOFBSA-N -1 3 389.293 3.989 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(F)cc3nc(C)c(C)nc32)[nH][n-]1 ZINC000540420593 871237114 /nfs/dbraw/zinc/23/71/14/871237114.db2.gz TYUGWGGAXKDASB-UHFFFAOYSA-N -1 3 375.407 3.758 20 0 GHADHM COc1cccc(Cn2nccc2NC(=O)c2ccc([O-])cc2C(F)(F)F)c1 ZINC001193735869 871254590 /nfs/dbraw/zinc/25/45/90/871254590.db2.gz VTONVVNGMXXJNY-UHFFFAOYSA-N -1 3 391.349 3.917 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c(F)c1 ZINC001193794462 871289050 /nfs/dbraw/zinc/28/90/50/871289050.db2.gz BMZNVLKCFCRFJV-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1cc(F)cc(Br)c1 ZINC001193823357 871328614 /nfs/dbraw/zinc/32/86/14/871328614.db2.gz QHTDMXVHFHBDHH-VIFPVBQESA-N -1 3 386.233 3.692 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)c1Cl ZINC001193830151 871331082 /nfs/dbraw/zinc/33/10/82/871331082.db2.gz NHABRXRPTSXCSP-DOMZBBRYSA-N -1 3 378.321 3.785 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)c(-c2ccccc2)s1 ZINC001193830900 871331803 /nfs/dbraw/zinc/33/18/03/871331803.db2.gz SAHHEOBCBPQQST-IAGOWNOFSA-N -1 3 392.546 3.602 20 0 GHADHM COC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193864395 871367306 /nfs/dbraw/zinc/36/73/06/871367306.db2.gz ZCBOZXCOLYTFEX-UHFFFAOYSA-N -1 3 387.432 3.804 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1([C@@H](C)CCO)CCC1 ZINC000540484174 871371769 /nfs/dbraw/zinc/37/17/69/871371769.db2.gz ZGNWQRIPIFWZRK-LBPRGKRZSA-N -1 3 385.913 3.862 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000525750450 871379537 /nfs/dbraw/zinc/37/95/37/871379537.db2.gz JWZBRISAJHZGMO-UHFFFAOYSA-N -1 3 376.347 3.896 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc3ccc(Br)cc3c2)s1 ZINC001194214319 871560207 /nfs/dbraw/zinc/56/02/07/871560207.db2.gz JFFXSXNWNKACCM-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c(Cl)n1 ZINC001194348491 871630991 /nfs/dbraw/zinc/63/09/91/871630991.db2.gz OBGUADBITLNUQH-UHFFFAOYSA-N -1 3 384.244 3.751 20 0 GHADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Nc3ccc(Cl)c([O-])c3)cc2)C[C@H](C)O1 ZINC001212591256 871636154 /nfs/dbraw/zinc/63/61/54/871636154.db2.gz CPIGOAKYGUSJQV-BETUJISGSA-N -1 3 396.896 3.587 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001169581193 871675118 /nfs/dbraw/zinc/67/51/18/871675118.db2.gz JKBVHRIGLTZSHF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001169581193 871675127 /nfs/dbraw/zinc/67/51/27/871675127.db2.gz JKBVHRIGLTZSHF-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCOC(=O)c1ccc2[nH]c(-c3ccnc(NCc4ncccc4[O-])n3)cc2c1 ZINC001169727272 871782655 /nfs/dbraw/zinc/78/26/55/871782655.db2.gz UFHHTYCICDZZCM-UHFFFAOYSA-N -1 3 389.415 3.514 20 0 GHADHM COc1ccc(F)cc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001194727035 871921694 /nfs/dbraw/zinc/92/16/94/871921694.db2.gz LIAXXJMSLQSMSB-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM CCOC(=O)c1noc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c1-c1ccccc1 ZINC001194773252 871954049 /nfs/dbraw/zinc/95/40/49/871954049.db2.gz PLIBFGLCBZZTKL-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM Cc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194936011 872045696 /nfs/dbraw/zinc/04/56/96/872045696.db2.gz RFLJZUSKTVBCFH-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM CC[C@H](C)N1CC[C@@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271915419 872117894 /nfs/dbraw/zinc/11/78/94/872117894.db2.gz POWXKFJSKODFCA-XOBRGWDASA-N -1 3 378.900 3.689 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)[n-]1 ZINC000618919139 872158167 /nfs/dbraw/zinc/15/81/67/872158167.db2.gz CVFXSPGATXCWRN-UHFFFAOYSA-N -1 3 397.818 3.723 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c[n-]1 ZINC000618919139 872158181 /nfs/dbraw/zinc/15/81/81/872158181.db2.gz CVFXSPGATXCWRN-UHFFFAOYSA-N -1 3 397.818 3.723 20 0 GHADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1F ZINC000767080176 872237863 /nfs/dbraw/zinc/23/78/63/872237863.db2.gz IKCHRYAGWAKKIF-QMMMGPOBSA-N -1 3 379.240 3.576 20 0 GHADHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000526920044 872272930 /nfs/dbraw/zinc/27/29/30/872272930.db2.gz BDPKSZSZTRWIGT-FQEVSTJZSA-N -1 3 388.423 3.541 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)c2)[n-]1 ZINC000619142969 872346872 /nfs/dbraw/zinc/34/68/72/872346872.db2.gz ZIEATABPRJDVEP-IRXDYDNUSA-N -1 3 396.491 3.503 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)c2)n[n-]1 ZINC000619142969 872346885 /nfs/dbraw/zinc/34/68/85/872346885.db2.gz ZIEATABPRJDVEP-IRXDYDNUSA-N -1 3 396.491 3.503 20 0 GHADHM CCS[C@@H](C)c1noc(COC(=O)c2cccc(Br)c2[O-])n1 ZINC000767335520 872407929 /nfs/dbraw/zinc/40/79/29/872407929.db2.gz SNZKZNFTQXWAJP-QMMMGPOBSA-N -1 3 387.255 3.709 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1cc(Br)ccc1F ZINC001195498734 872448933 /nfs/dbraw/zinc/44/89/33/872448933.db2.gz JUYFBRDBODLALU-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CC(C)c1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC001195508775 872457849 /nfs/dbraw/zinc/45/78/49/872457849.db2.gz WHCYYSNPYWVHEW-UHFFFAOYSA-N -1 3 393.303 3.647 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCC3(CCC3)O2)c(-c2ccccc2)s1 ZINC001195536460 872475463 /nfs/dbraw/zinc/47/54/63/872475463.db2.gz WYGCQAPOOIKRQD-INIZCTEOSA-N -1 3 392.546 3.889 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H](C2CCC2)C1 ZINC000666076170 882621053 /nfs/dbraw/zinc/62/10/53/882621053.db2.gz MIQPNBYARHUELR-LBPRGKRZSA-N -1 3 375.266 3.553 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)c1 ZINC000094076077 872532091 /nfs/dbraw/zinc/53/20/91/872532091.db2.gz TZRNBSDLKIVHPU-UHFFFAOYSA-N -1 3 384.501 3.704 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000478138751 872551183 /nfs/dbraw/zinc/55/11/83/872551183.db2.gz QVVVHXKKQIJYEJ-UHFFFAOYSA-N -1 3 381.379 3.778 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)ccc1OC(C)C ZINC000463788233 872560115 /nfs/dbraw/zinc/56/01/15/872560115.db2.gz MJGHFLLTEGIOFZ-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000527073103 872605670 /nfs/dbraw/zinc/60/56/70/872605670.db2.gz ONEYLCHYGJMMQQ-UHFFFAOYSA-N -1 3 386.633 3.533 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cnc(-c3ccccc3Cl)s2)[n-]1 ZINC000619448143 872636783 /nfs/dbraw/zinc/63/67/83/872636783.db2.gz FACGVCMIMCBBIK-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cnc(-c3ccccc3Cl)s2)c[n-]1 ZINC000619448143 872636787 /nfs/dbraw/zinc/63/67/87/872636787.db2.gz FACGVCMIMCBBIK-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(Br)sc2c1)c1ccc(O)cc1 ZINC001195803073 872673050 /nfs/dbraw/zinc/67/30/50/872673050.db2.gz WLORLWPYZKJAOT-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)N(Cc1ccccc1)CC2)c1ccc(O)cc1 ZINC001195810766 872680661 /nfs/dbraw/zinc/68/06/61/872680661.db2.gz MITDUPNKXUWBFO-UHFFFAOYSA-N -1 3 380.469 3.756 20 0 GHADHM O=S(=O)(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1ccc([O-])cc1 ZINC001195810766 872680663 /nfs/dbraw/zinc/68/06/63/872680663.db2.gz MITDUPNKXUWBFO-UHFFFAOYSA-N -1 3 380.469 3.756 20 0 GHADHM O=C(OCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195811209 872682475 /nfs/dbraw/zinc/68/24/75/872682475.db2.gz SIHCTESLKLNGIF-UHFFFAOYSA-N -1 3 383.425 3.550 20 0 GHADHM O=S(=O)(NC1(c2ccc(F)cc2)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195835801 872704055 /nfs/dbraw/zinc/70/40/55/872704055.db2.gz NEKMJMNXCRJPOU-UHFFFAOYSA-N -1 3 385.407 3.914 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000767855079 872894522 /nfs/dbraw/zinc/89/45/22/872894522.db2.gz RYMZRUUVWTZRKK-JKGDOXCYSA-N -1 3 391.464 3.799 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)on2)c([O-])c1 ZINC001196223769 872963781 /nfs/dbraw/zinc/96/37/81/872963781.db2.gz JPPJTWXLZPIEMP-UHFFFAOYSA-N -1 3 381.388 3.650 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1ccc(Cl)cn1 ZINC001196266920 872978919 /nfs/dbraw/zinc/97/89/19/872978919.db2.gz WWBMBOUVSRKDBK-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM CCCCc1nnc(NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000152952051 873011744 /nfs/dbraw/zinc/01/17/44/873011744.db2.gz AACALQFLRSVCMF-UHFFFAOYSA-N -1 3 385.287 3.671 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cnc(Br)c(C(F)(F)F)c2)n1 ZINC001196283533 873015849 /nfs/dbraw/zinc/01/58/49/873015849.db2.gz APVBDNGCTXSPOY-UHFFFAOYSA-N -1 3 376.132 3.524 20 0 GHADHM CC(C)S(=O)(=O)c1ccccc1[N-]C(=O)c1snc(Cl)c1Cl ZINC001196342240 873042527 /nfs/dbraw/zinc/04/25/27/873042527.db2.gz QZZUQBCCHORZHT-UHFFFAOYSA-N -1 3 379.290 3.884 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc(-c3ccncc3)s2)c(C(=O)OCC)[n-]1 ZINC000191965160 882685678 /nfs/dbraw/zinc/68/56/78/882685678.db2.gz ZGPKGOREOXTUIA-UHFFFAOYSA-N -1 3 399.476 3.700 20 0 GHADHM CCCCc1nc(NC(=O)c2ccccc2Br)c(C(=O)OCC)[n-]1 ZINC000191963471 882685820 /nfs/dbraw/zinc/68/58/20/882685820.db2.gz DSZSDUIESXHVER-UHFFFAOYSA-N -1 3 394.269 3.944 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C2(Cc3cccnc3)CCC(F)(F)CC2)c(F)c1 ZINC001196406639 873095498 /nfs/dbraw/zinc/09/54/98/873095498.db2.gz AVOBBWAWAOVQGF-UHFFFAOYSA-N -1 3 398.450 3.998 20 0 GHADHM O=C(CCSc1ccc(Br)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499460 873219530 /nfs/dbraw/zinc/21/95/30/873219530.db2.gz FNTBBKHRMLVZPW-AWEZNQCLSA-N -1 3 396.310 3.567 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2)n1 ZINC000116004683 873256952 /nfs/dbraw/zinc/25/69/52/873256952.db2.gz FBJBWBRORRXNHI-LSDHHAIUSA-N -1 3 381.382 3.766 20 0 GHADHM CN(C)c1ccccc1CN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001197060376 873568815 /nfs/dbraw/zinc/56/88/15/873568815.db2.gz ULUFGUMJEZVGMJ-OAHLLOKOSA-N -1 3 391.437 3.925 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccccc2N2CCc3ccccc32)c(=O)[n-]1 ZINC000541431549 873569243 /nfs/dbraw/zinc/56/92/43/873569243.db2.gz PWEGEEHXAFQJJY-UHFFFAOYSA-N -1 3 375.432 3.507 20 0 GHADHM CCC[C@H](OC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000448556056 873570240 /nfs/dbraw/zinc/57/02/40/873570240.db2.gz WMPLXBJAWVYSJI-SFHVURJKSA-N -1 3 376.478 3.549 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c(=O)[n-]1 ZINC000541441155 873582753 /nfs/dbraw/zinc/58/27/53/873582753.db2.gz DZTQGBJRNOAXEH-IBGZPJMESA-N -1 3 396.878 3.927 20 0 GHADHM O=C(COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[N-]CC(F)(F)F ZINC000003364918 873620746 /nfs/dbraw/zinc/62/07/46/873620746.db2.gz JDKYWZISASYWRY-UHFFFAOYSA-N -1 3 399.967 3.531 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000768864012 873666218 /nfs/dbraw/zinc/66/62/18/873666218.db2.gz ZZQVRIGMVOPYAY-UHFFFAOYSA-N -1 3 375.856 3.762 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)c(C)cc1OCc1ccccc1 ZINC001197260890 873681334 /nfs/dbraw/zinc/68/13/34/873681334.db2.gz GYKBSDBNKLFAJK-UHFFFAOYSA-N -1 3 379.460 3.592 20 0 GHADHM Cc1ncc(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(=O)[n-]1 ZINC000541529486 873782422 /nfs/dbraw/zinc/78/24/22/873782422.db2.gz IUBZYPKIPKFVDR-UHFFFAOYSA-N -1 3 398.466 3.873 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cnc2ccccc2c1 ZINC000509094844 873805727 /nfs/dbraw/zinc/80/57/27/873805727.db2.gz CSUQCPXINYYHLX-UHFFFAOYSA-N -1 3 390.848 3.850 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c([N-]S(=O)(=O)Cc2cccnc2)c1 ZINC001197464780 873819797 /nfs/dbraw/zinc/81/97/97/873819797.db2.gz ORHFAKFBAODWBK-UHFFFAOYSA-N -1 3 381.429 3.510 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cc1Cl ZINC001197529426 873857367 /nfs/dbraw/zinc/85/73/67/873857367.db2.gz LMAVRDPGSNTNJB-UHFFFAOYSA-N -1 3 393.679 3.688 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccccc1-n1cncn1 ZINC001197537604 873866222 /nfs/dbraw/zinc/86/62/22/873866222.db2.gz ICIBIIQOBKHSNF-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM Cc1c(Cl)cc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)c([O-])c1Cl ZINC001197610924 873910706 /nfs/dbraw/zinc/91/07/06/873910706.db2.gz PTMPVQGFXPFDEL-CQSZACIVSA-N -1 3 395.286 3.826 20 0 GHADHM CCOC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC001197708412 873993487 /nfs/dbraw/zinc/99/34/87/873993487.db2.gz WUOLMKYOYPHOEV-UHFFFAOYSA-N -1 3 392.411 3.795 20 0 GHADHM COc1ccc(C(=O)NCCCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134207146 882782728 /nfs/dbraw/zinc/78/27/28/882782728.db2.gz YWAWTUMNRPEYEA-UHFFFAOYSA-N -1 3 396.365 3.568 20 0 GHADHM CC(C)(C)OC(=O)C(C)(C)[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197767062 874032750 /nfs/dbraw/zinc/03/27/50/874032750.db2.gz SOTMUKZUBAKGKO-UHFFFAOYSA-N -1 3 382.309 3.533 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC001197862792 874101323 /nfs/dbraw/zinc/10/13/23/874101323.db2.gz RDKDTFTULHWOAP-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC001197864162 874102828 /nfs/dbraw/zinc/10/28/28/874102828.db2.gz OWQGNDIONVUOBJ-UHFFFAOYSA-N -1 3 398.868 3.507 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H]3CCC[C@@H]3C)c2)c1 ZINC000769780707 874286248 /nfs/dbraw/zinc/28/62/48/874286248.db2.gz WTYDONRENQLTQE-DJJJIMSYSA-N -1 3 398.459 3.580 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H](O)c1cccnc1 ZINC000770081833 874444745 /nfs/dbraw/zinc/44/47/45/874444745.db2.gz LPRWILJBTQLLRK-SFHVURJKSA-N -1 3 377.425 3.736 20 0 GHADHM CC[C@@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C1CC1 ZINC000541888542 874466634 /nfs/dbraw/zinc/46/66/34/874466634.db2.gz BVVCKQDHVGBDOD-KDOFPFPSSA-N -1 3 396.491 3.680 20 0 GHADHM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cccc2n[n-]nc21 ZINC000541891780 874472538 /nfs/dbraw/zinc/47/25/38/874472538.db2.gz JJCPVVGCYFDPMP-SFHVURJKSA-N -1 3 376.391 3.647 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001198720712 874581302 /nfs/dbraw/zinc/58/13/02/874581302.db2.gz UPHAPFCOJNTRRO-HNNXBMFYSA-N -1 3 387.288 3.827 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(OCC3CCC3)ncn2)c([O-])c1 ZINC001198813356 874645655 /nfs/dbraw/zinc/64/56/55/874645655.db2.gz SSCUPGJENRVLKN-UHFFFAOYSA-N -1 3 399.447 3.569 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(-c4nc[nH]n4)cc3)nc(=O)c2c1C ZINC000770575868 874764170 /nfs/dbraw/zinc/76/41/70/874764170.db2.gz UBCKINACNYDESU-SNVBAGLBSA-N -1 3 395.444 3.717 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)n1 ZINC001199040459 874772027 /nfs/dbraw/zinc/77/20/27/874772027.db2.gz XVCWISCQHFAECS-UHFFFAOYSA-N -1 3 383.448 3.641 20 0 GHADHM COc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(Cl)c1[O-])C(C)C ZINC000775932172 874793349 /nfs/dbraw/zinc/79/33/49/874793349.db2.gz DSOKHAIEFCSAKY-QGZVFWFLSA-N -1 3 377.824 3.874 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775935080 874795544 /nfs/dbraw/zinc/79/55/44/874795544.db2.gz UDWNYBTWVYZCHZ-SNVBAGLBSA-N -1 3 383.778 3.700 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775935992 874824237 /nfs/dbraw/zinc/82/42/37/874824237.db2.gz SKNRLBMNEPFMSC-UHFFFAOYSA-N -1 3 375.808 3.680 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000528658338 874845387 /nfs/dbraw/zinc/84/53/87/874845387.db2.gz OWFZLLJZMUDQLF-DIFFPNOSSA-N -1 3 394.240 3.896 20 0 GHADHM CC[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465029390 874971238 /nfs/dbraw/zinc/97/12/38/874971238.db2.gz QLVJKZZDBGHDHU-KBXCAEBGSA-N -1 3 390.480 3.935 20 0 GHADHM Cc1ccc2[nH]c(CNC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)nc2c1 ZINC000465062321 875013403 /nfs/dbraw/zinc/01/34/03/875013403.db2.gz WATWCWXKFANKGC-UHFFFAOYSA-N -1 3 388.431 3.664 20 0 GHADHM Cc1ccc2nc(CNC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)[nH]c2c1 ZINC000465062321 875013409 /nfs/dbraw/zinc/01/34/09/875013409.db2.gz WATWCWXKFANKGC-UHFFFAOYSA-N -1 3 388.431 3.664 20 0 GHADHM Cc1cc(F)ccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178456012 882891926 /nfs/dbraw/zinc/89/19/26/882891926.db2.gz SGZUOLXQKZXGRE-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)c(C)c2Cl)cc1OC ZINC000542169427 875077245 /nfs/dbraw/zinc/07/72/45/875077245.db2.gz LNRBJDQYGGXZLZ-UHFFFAOYSA-N -1 3 396.896 3.979 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n[n-]2)o1 ZINC000123010408 882918069 /nfs/dbraw/zinc/91/80/69/882918069.db2.gz SXIMCSFQURNKCF-UHFFFAOYSA-N -1 3 387.399 3.878 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)ccc3N3CCCC3)nc21 ZINC000746507501 875336232 /nfs/dbraw/zinc/33/62/32/875336232.db2.gz ULZAYPBGXPXDRA-UHFFFAOYSA-N -1 3 378.432 3.510 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000528959998 875348964 /nfs/dbraw/zinc/34/89/64/875348964.db2.gz MPXYKZDFWULSIQ-PIGZYNQJSA-N -1 3 394.265 3.669 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000465298747 875448254 /nfs/dbraw/zinc/44/82/54/875448254.db2.gz ZEDPQMGSJBDRFY-ZBFHGGJFSA-N -1 3 390.480 3.887 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CCc3cc(F)ccc3Br)n[n-]2)o1 ZINC000542444370 875572206 /nfs/dbraw/zinc/57/22/06/875572206.db2.gz BFSZTIVSISXFNZ-UHFFFAOYSA-N -1 3 393.216 3.846 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC001201222670 875585227 /nfs/dbraw/zinc/58/52/27/875585227.db2.gz HWQVPBVIZRTWOQ-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)ccc2[nH]1 ZINC001201619079 875794191 /nfs/dbraw/zinc/79/41/91/875794191.db2.gz BHTDTRIRYTZDKX-UHFFFAOYSA-N -1 3 393.424 3.516 20 0 GHADHM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)c1 ZINC001201623592 875799129 /nfs/dbraw/zinc/79/91/29/875799129.db2.gz XJPFPONODDCTOR-UHFFFAOYSA-N -1 3 398.484 3.908 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cccc(F)c1Br ZINC001201770300 875852544 /nfs/dbraw/zinc/85/25/44/875852544.db2.gz HHMSVZCEYPLXNU-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM O=S(=O)([N-]CC1(Cc2ccccc2)CC1)c1cccc(F)c1Br ZINC001201790494 875885149 /nfs/dbraw/zinc/88/51/49/875885149.db2.gz GMSDWELWDYIXRH-UHFFFAOYSA-N -1 3 398.297 3.889 20 0 GHADHM O=S(=O)([N-][C@H]1CC12CCC(F)(F)CC2)c1cccc(F)c1Br ZINC001201791039 875885369 /nfs/dbraw/zinc/88/53/69/875885369.db2.gz MXDATNMEKOGQGR-NSHDSACASA-N -1 3 398.244 3.835 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc2C1)c1cccc(F)c1Br ZINC001201791556 875886869 /nfs/dbraw/zinc/88/68/69/875886869.db2.gz YQMVHZFMORJQNB-GFCCVEGCSA-N -1 3 398.297 3.672 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2sccc21)c1ncccc1OCc1ccccc1 ZINC001201903508 875932405 /nfs/dbraw/zinc/93/24/05/875932405.db2.gz HCQABNOJFANHRJ-MRXNPFEDSA-N -1 3 386.498 3.688 20 0 GHADHM COc1ccccc1NC(=O)Nc1cc(I)ccc1[O-] ZINC001202128183 876013084 /nfs/dbraw/zinc/01/30/84/876013084.db2.gz SNVGNUYPOWJDHP-UHFFFAOYSA-N -1 3 384.173 3.649 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000785532068 876089375 /nfs/dbraw/zinc/08/93/75/876089375.db2.gz KBGLOYBXAIUWCW-JTQLQIEISA-N -1 3 378.803 3.836 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)C2CCCCC2)cc1Cl ZINC000173282905 876293810 /nfs/dbraw/zinc/29/38/10/876293810.db2.gz WHMGOYDFRQHBPA-SNVBAGLBSA-N -1 3 376.881 3.685 20 0 GHADHM C[C@@H]1c2cccc(Br)c2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450352204 876316750 /nfs/dbraw/zinc/31/67/50/876316750.db2.gz BJBIAMAWBGEDMU-LLVKDONJSA-N -1 3 378.241 3.982 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2F)cc1-c1nnn[n-]1 ZINC000825539122 876397966 /nfs/dbraw/zinc/39/79/66/876397966.db2.gz NADAIWYYRXDFQI-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2F)cc1-c1nn[n-]n1 ZINC000825539122 876397977 /nfs/dbraw/zinc/39/79/77/876397977.db2.gz NADAIWYYRXDFQI-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccccc2Br)C2CC2)n1 ZINC000173466567 876402417 /nfs/dbraw/zinc/40/24/17/876402417.db2.gz PJLATTQDNOBAOU-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM CCCc1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000776411996 876414930 /nfs/dbraw/zinc/41/49/30/876414930.db2.gz GPAJLRNBCOVLMH-UHFFFAOYSA-N -1 3 399.513 3.564 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786033902 876421735 /nfs/dbraw/zinc/42/17/35/876421735.db2.gz UUVQZYHDAYTTFB-CQSZACIVSA-N -1 3 392.415 3.747 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000786140351 876469535 /nfs/dbraw/zinc/46/95/35/876469535.db2.gz NXHBGUNMAHYPTB-GFCCVEGCSA-N -1 3 387.432 3.950 20 0 GHADHM Cc1nc(NC(=O)[C@H](C)OC(=O)c2cc3sccc3c([O-])c2)sc1C ZINC000786137960 876503552 /nfs/dbraw/zinc/50/35/52/876503552.db2.gz QDAFCFOHOKSZBF-VIFPVBQESA-N -1 3 376.459 3.864 20 0 GHADHM CCc1ccc(CNC(=O)COC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000786138605 876503828 /nfs/dbraw/zinc/50/38/28/876503828.db2.gz WLQGKDHJWLWYNM-UHFFFAOYSA-N -1 3 375.471 3.704 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1cccnc1Cl ZINC000786139903 876504040 /nfs/dbraw/zinc/50/40/40/876504040.db2.gz KKHIFVNFGWSPDY-VIFPVBQESA-N -1 3 376.821 3.839 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(C4CCC4)cnn3C)nc(=O)c2c1C ZINC000849990278 876580541 /nfs/dbraw/zinc/58/05/41/876580541.db2.gz QDPFXYLPGKNHKL-SNVBAGLBSA-N -1 3 386.477 3.933 20 0 GHADHM COc1ccc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1F ZINC000007212361 876590425 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3.620 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000786772552 876924689 /nfs/dbraw/zinc/92/46/89/876924689.db2.gz KBIZHIBTYMZHQM-UHFFFAOYSA-N -1 3 384.407 3.536 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)ccc1F ZINC001129652667 883085054 /nfs/dbraw/zinc/08/50/54/883085054.db2.gz QXBRTUIPRQUKGH-HOCLYGCPSA-N -1 3 398.544 3.847 20 0 GHADHM CC(C)(C)OC(=O)NCC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000786947613 877042917 /nfs/dbraw/zinc/04/29/17/877042917.db2.gz OKWGRMDXDLIACJ-UHFFFAOYSA-N -1 3 394.487 3.808 20 0 GHADHM CCC[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccccc1 ZINC000850576794 877045714 /nfs/dbraw/zinc/04/57/14/877045714.db2.gz SBEWWOGVFQBLSU-KRWDZBQOSA-N -1 3 386.496 3.838 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccc(C2CC2)c1 ZINC000850576584 877045823 /nfs/dbraw/zinc/04/58/23/877045823.db2.gz OTJRNXZXZDTCAX-CQSZACIVSA-N -1 3 398.507 3.935 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccc(C2CC2)c1 ZINC000850576581 877046653 /nfs/dbraw/zinc/04/66/53/877046653.db2.gz OTJRNXZXZDTCAX-AWEZNQCLSA-N -1 3 398.507 3.935 20 0 GHADHM O=c1[n-]nc(C2CCN([C@H]3CCCc4ccc(Br)cc43)CC2)o1 ZINC000450916682 877074419 /nfs/dbraw/zinc/07/44/19/877074419.db2.gz AJMRBZHQAJGMSA-HNNXBMFYSA-N -1 3 378.270 3.795 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000787022133 877099408 /nfs/dbraw/zinc/09/94/08/877099408.db2.gz LZTLLGRIEZVXGI-RHSMWYFYSA-N -1 3 394.487 3.616 20 0 GHADHM COc1ccc(-c2nnc([N-]C(=O)c3sc([C@H](C)OC)nc3C)s2)cc1 ZINC000136420702 877205751 /nfs/dbraw/zinc/20/57/51/877205751.db2.gz MRSHKTPSTFXIQB-JTQLQIEISA-N -1 3 390.490 3.938 20 0 GHADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Br)cc2[nH]1 ZINC000315356631 877225722 /nfs/dbraw/zinc/22/57/22/877225722.db2.gz AGTUBLHDBIBGCU-UHFFFAOYSA-N -1 3 384.230 3.574 20 0 GHADHM COc1cc(Br)ccc1CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530164677 877238494 /nfs/dbraw/zinc/23/84/94/877238494.db2.gz KNYBIIGXQBFANV-QGZVFWFLSA-N -1 3 394.265 3.667 20 0 GHADHM COc1ccc(-c2nc(CN3[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]3C)cs2)cc1OC ZINC000530180306 877243149 /nfs/dbraw/zinc/24/31/49/877243149.db2.gz XJLYDGWNTULGRG-AGGWBTHJSA-N -1 3 390.505 3.901 20 0 GHADHM CCOC(=O)c1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)N(C)CC1CC1 ZINC000609986547 877251383 /nfs/dbraw/zinc/25/13/83/877251383.db2.gz DYZVOIOFOIYDGE-UHFFFAOYSA-N -1 3 388.489 3.529 20 0 GHADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000451118310 877382607 /nfs/dbraw/zinc/38/26/07/877382607.db2.gz XGSJMSDTLQPCDS-UHFFFAOYSA-N -1 3 395.546 3.621 20 0 GHADHM COCCO[N-]C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 ZINC000787409105 877401130 /nfs/dbraw/zinc/40/11/30/877401130.db2.gz KGVJINPYJWGLKN-VBKFSLOCSA-N -1 3 398.484 3.930 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C2=CCCC2)ccc1F ZINC001275061553 912230232 /nfs/dbraw/zinc/23/02/32/912230232.db2.gz NAOIJCDXEAYCMP-UHFFFAOYSA-N -1 3 396.528 3.769 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)c1nc(-c2ccncc2)no1 ZINC000451156949 877473969 /nfs/dbraw/zinc/47/39/69/877473969.db2.gz UJLZPIKUENXBCG-QGZVFWFLSA-N -1 3 392.525 3.719 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(Br)cc2)n1 ZINC000477366148 877520738 /nfs/dbraw/zinc/52/07/38/877520738.db2.gz PWGOGAHMLKQPSD-SNVBAGLBSA-N -1 3 396.310 3.768 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1nc2ccccc2[nH]1 ZINC000137427263 877545782 /nfs/dbraw/zinc/54/57/82/877545782.db2.gz BDXFBXDGCXYKGN-KPZWWZAWSA-N -1 3 383.448 3.803 20 0 GHADHM O=C(OCc1ccc(F)cn1)c1n[n-]c(-c2ccccc2)c1Br ZINC000787744163 877603628 /nfs/dbraw/zinc/60/36/28/877603628.db2.gz JAPFHNGHTJSCTE-UHFFFAOYSA-N -1 3 376.185 3.730 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000615299073 877623297 /nfs/dbraw/zinc/62/32/97/877623297.db2.gz AVIZIHUDKIIHIF-OAHLLOKOSA-N -1 3 399.310 3.874 20 0 GHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451237738 877638359 /nfs/dbraw/zinc/63/83/59/877638359.db2.gz BLIBNDDWIXBMIT-UHFFFAOYSA-N -1 3 383.926 3.818 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787842827 877662601 /nfs/dbraw/zinc/66/26/01/877662601.db2.gz CPFDZTFJXNGZHV-AWEZNQCLSA-N -1 3 387.407 3.627 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000787845137 877663946 /nfs/dbraw/zinc/66/39/46/877663946.db2.gz MYKDWQZTVXALRN-NSHDSACASA-N -1 3 381.350 3.703 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000787845823 877666725 /nfs/dbraw/zinc/66/67/25/877666725.db2.gz QGRRIYLFBGPQJM-LSDHHAIUSA-N -1 3 385.435 3.764 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849609 877669725 /nfs/dbraw/zinc/66/97/25/877669725.db2.gz YEAKZTNNAJOYTM-CQSZACIVSA-N -1 3 391.414 3.756 20 0 GHADHM C[C@H](CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000787910091 877708828 /nfs/dbraw/zinc/70/88/28/877708828.db2.gz HYQJQRZBJJHWAL-KGLIPLIRSA-N -1 3 375.469 3.623 20 0 GHADHM CN(C)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000493060751 878235070 /nfs/dbraw/zinc/23/50/70/878235070.db2.gz WGEFCEOBHQPIMH-UHFFFAOYSA-N -1 3 382.445 3.690 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1 ZINC000176421667 878259653 /nfs/dbraw/zinc/25/96/53/878259653.db2.gz DYLUQSANDSBZNM-UHFFFAOYSA-N -1 3 377.510 3.513 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000788812096 878335143 /nfs/dbraw/zinc/33/51/43/878335143.db2.gz IPFLYJDTEUXZKX-ZDUSSCGKSA-N -1 3 384.288 3.836 20 0 GHADHM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)CCCO2 ZINC000537837644 878364054 /nfs/dbraw/zinc/36/40/54/878364054.db2.gz RVSPMEBLLQATJP-UHFFFAOYSA-N -1 3 396.468 3.786 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC=C(C)C)cc1Cl ZINC000451742957 878407308 /nfs/dbraw/zinc/40/73/08/878407308.db2.gz SBKPRJRAUIXYQJ-NSHDSACASA-N -1 3 376.881 3.851 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)cc1OC ZINC000451747459 878412231 /nfs/dbraw/zinc/41/22/31/878412231.db2.gz KOTUZWYVILUUIT-JQWIXIFHSA-N -1 3 399.406 3.632 20 0 GHADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000788916476 878452393 /nfs/dbraw/zinc/45/23/93/878452393.db2.gz KTTFAMSXZCKGCJ-UHFFFAOYSA-N -1 3 393.848 3.776 20 0 GHADHM CC(C)(C)c1ncc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000176961514 878497229 /nfs/dbraw/zinc/49/72/29/878497229.db2.gz FGMDILTXEDRNSD-UHFFFAOYSA-N -1 3 375.885 3.986 20 0 GHADHM Cc1cccnc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451818171 878523648 /nfs/dbraw/zinc/52/36/48/878523648.db2.gz OEZZMGNFOIWBBM-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1cc(Cl)ccc1Br ZINC000451822089 878529429 /nfs/dbraw/zinc/52/94/29/878529429.db2.gz JHJZQFRWMMDNRX-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM COc1ccc(Sc2nsc([N-]C(=O)c3cc(Cl)ccn3)n2)cc1 ZINC000177028720 878530430 /nfs/dbraw/zinc/53/04/30/878530430.db2.gz NUSYGVGHBGNASH-UHFFFAOYSA-N -1 3 378.866 3.999 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000789078706 878592809 /nfs/dbraw/zinc/59/28/09/878592809.db2.gz NOHAQEFAYCJMNT-SNVBAGLBSA-N -1 3 398.333 3.856 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccn(-c2cccc(Br)c2)n1 ZINC000530896683 878704740 /nfs/dbraw/zinc/70/47/40/878704740.db2.gz MZYHPHATBSIRFO-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 ZINC000530885949 878729923 /nfs/dbraw/zinc/72/99/23/878729923.db2.gz QPRXRJKALOMNNT-UHFFFAOYSA-N -1 3 388.427 3.641 20 0 GHADHM Cc1[nH]c(C(=O)Nc2cc(Br)ccc2[O-])c(C)c1C(=O)OC(C)C ZINC000530917128 878734189 /nfs/dbraw/zinc/73/41/89/878734189.db2.gz VRCGVMFYKBJKBV-UHFFFAOYSA-N -1 3 395.253 3.917 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3CCC(=O)c4cccn43)nc(=O)c2c1C ZINC000789240347 878750596 /nfs/dbraw/zinc/75/05/96/878750596.db2.gz UOEMLRSXGYQMPN-GWCFXTLKSA-N -1 3 385.445 3.637 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)n1 ZINC000177766756 878846777 /nfs/dbraw/zinc/84/67/77/878846777.db2.gz UEOLSWHSHFEBFP-UHFFFAOYSA-N -1 3 377.297 3.554 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000282033166 878866665 /nfs/dbraw/zinc/86/66/65/878866665.db2.gz VIYKZDDRROMVIS-HNNXBMFYSA-N -1 3 399.491 3.707 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(OCc4ccccc4)nc3)n[n-]2)o1 ZINC000177821623 878869304 /nfs/dbraw/zinc/86/93/04/878869304.db2.gz YMOWOHOJMSVDFK-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c1 ZINC000616543059 878928325 /nfs/dbraw/zinc/92/83/25/878928325.db2.gz JLDWBOWXLQZDIN-WFASDCNBSA-N -1 3 387.505 3.715 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(CN3CCSCC3)ccc2C)c1 ZINC000178186440 879034188 /nfs/dbraw/zinc/03/41/88/879034188.db2.gz CDXNCEACAIXZIU-UHFFFAOYSA-N -1 3 394.537 3.792 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538222390 879046422 /nfs/dbraw/zinc/04/64/22/879046422.db2.gz VORWXCCFUAVSAM-UHFFFAOYSA-N -1 3 385.471 3.921 20 0 GHADHM Cc1nn(C)c2cc(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)ccc12 ZINC000461032346 879060831 /nfs/dbraw/zinc/06/08/31/879060831.db2.gz DYVLPJWYKPIHGE-UHFFFAOYSA-N -1 3 388.431 3.997 20 0 GHADHM CSc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1C ZINC000538269223 879154468 /nfs/dbraw/zinc/15/44/68/879154468.db2.gz WEWHLGRDUNSNEW-UHFFFAOYSA-N -1 3 394.500 3.742 20 0 GHADHM CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000616986590 879287428 /nfs/dbraw/zinc/28/74/28/879287428.db2.gz WMTWXZCCXCBGSW-CQSZACIVSA-N -1 3 378.469 3.887 20 0 GHADHM CC(C)(NC(=O)c1nnc2ccccc2c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000789871217 879327762 /nfs/dbraw/zinc/32/77/62/879327762.db2.gz DCYLAJKRLKXNLW-UHFFFAOYSA-N -1 3 391.349 3.899 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H]3C(C)C)c2)cc1 ZINC000538350752 879333026 /nfs/dbraw/zinc/33/30/26/879333026.db2.gz QDISSWITSQJAAP-FQEVSTJZSA-N -1 3 386.517 3.975 20 0 GHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCN(C(C)(C)C)CC3)n2)c1 ZINC000531226251 879343496 /nfs/dbraw/zinc/34/34/96/879343496.db2.gz FARYOXIDTOHRMA-UHFFFAOYSA-N -1 3 384.524 3.648 20 0 GHADHM CCOc1ccc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000009033330 879353961 /nfs/dbraw/zinc/35/39/61/879353961.db2.gz LEOZZMQBNYXOQE-GFCCVEGCSA-N -1 3 386.473 3.847 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1cccc(Oc2ccccc2)c1 ZINC000790075362 879416913 /nfs/dbraw/zinc/41/69/13/879416913.db2.gz VXACZRWLYSQIKA-UHFFFAOYSA-N -1 3 388.383 3.546 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1cccc(Oc2ccccc2)c1 ZINC000790075362 879416925 /nfs/dbraw/zinc/41/69/25/879416925.db2.gz VXACZRWLYSQIKA-UHFFFAOYSA-N -1 3 388.383 3.546 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1cccc(Oc2ccccc2)c1 ZINC000790075362 879416941 /nfs/dbraw/zinc/41/69/41/879416941.db2.gz VXACZRWLYSQIKA-UHFFFAOYSA-N -1 3 388.383 3.546 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccnc(OCC(F)(F)F)c1 ZINC000531254146 879437647 /nfs/dbraw/zinc/43/76/47/879437647.db2.gz KUSUXERZSZDMBU-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM NC(=O)CSc1ccccc1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000538448814 879510632 /nfs/dbraw/zinc/51/06/32/879510632.db2.gz WKTZIICELCKTOJ-UHFFFAOYSA-N -1 3 387.848 3.825 20 0 GHADHM O=C(N[C@@]12C[C@@H]1CCC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000617214013 879512682 /nfs/dbraw/zinc/51/26/82/879512682.db2.gz OSDGDZJKKRWYCP-PWJLMRLQSA-N -1 3 381.657 3.616 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1Br ZINC000007745838 879608306 /nfs/dbraw/zinc/60/83/06/879608306.db2.gz FZJSRNGDSCLMFX-UHFFFAOYSA-N -1 3 388.308 3.980 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)c(F)c(F)c1 ZINC000461332080 879625378 /nfs/dbraw/zinc/62/53/78/879625378.db2.gz NGRTVYQNJIFGFJ-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493924415 879737816 /nfs/dbraw/zinc/73/78/16/879737816.db2.gz HQAKAEHAGJVYQB-SNVBAGLBSA-N -1 3 384.723 3.586 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)C1)C(F)(F)F ZINC000854525959 879880404 /nfs/dbraw/zinc/88/04/04/879880404.db2.gz KCWKFRWUOKUIIN-AWEZNQCLSA-N -1 3 382.426 3.875 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2C)cc(OC)c1[O-] ZINC000494096030 879884861 /nfs/dbraw/zinc/88/48/61/879884861.db2.gz DGQIXLBHXLHJJY-FUHWJXTLSA-N -1 3 385.460 3.838 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)c(Br)c3)nc21 ZINC000494089239 879905979 /nfs/dbraw/zinc/90/59/79/879905979.db2.gz LFMHXBVUAKPTSS-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581211 879922734 /nfs/dbraw/zinc/92/27/34/879922734.db2.gz CAJXXKQXSSFHHO-UHFFFAOYSA-N -1 3 382.420 3.797 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000854581691 879923913 /nfs/dbraw/zinc/92/39/13/879923913.db2.gz UQZWCXQFQLNQEN-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3csc(-c4ccccc4)n3)nc21 ZINC000494138846 879942775 /nfs/dbraw/zinc/94/27/75/879942775.db2.gz NETDFLLASDTSJL-UHFFFAOYSA-N -1 3 392.440 3.654 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000452748649 879971676 /nfs/dbraw/zinc/97/16/76/879971676.db2.gz KUOPAGLNZMWAJV-LLVKDONJSA-N -1 3 390.281 3.957 20 0 GHADHM COc1ccc2c(c1)C[C@H](C(=O)Nc1c([O-])ccc(Br)c1C)CO2 ZINC000452758143 879989866 /nfs/dbraw/zinc/98/98/66/879989866.db2.gz RIBDWUNVYWIZLP-LBPRGKRZSA-N -1 3 392.249 3.662 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc3[nH]cnc3c2)c([O-])c1 ZINC000854810348 880066581 /nfs/dbraw/zinc/06/65/81/880066581.db2.gz RKIKKVMVRCHTNY-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc3nc[nH]c3c2)c([O-])c1 ZINC000854810348 880066594 /nfs/dbraw/zinc/06/65/94/880066594.db2.gz RKIKKVMVRCHTNY-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cc2sccc2c([O-])c1 ZINC000855196210 880343508 /nfs/dbraw/zinc/34/35/08/880343508.db2.gz QRQFAOPGBAHLEG-UHFFFAOYSA-N -1 3 378.494 3.982 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CO[C@@H]3CCCC[C@H]3CC)c2)n1 ZINC000184750018 880372787 /nfs/dbraw/zinc/37/27/87/880372787.db2.gz PPJVEMWAMQWPNR-DNVCBOLYSA-N -1 3 383.492 3.923 20 0 GHADHM COCC[S@](=O)Cc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791363384 880372869 /nfs/dbraw/zinc/37/28/69/880372869.db2.gz DTWJPBDJNRNSBD-SANMLTNESA-N -1 3 389.498 3.754 20 0 GHADHM CO[C@@](C)(CNC(=O)c1cc([O-])c2ccccc2c1)COCc1ccccc1 ZINC000855398723 880504465 /nfs/dbraw/zinc/50/44/65/880504465.db2.gz FWKWOAIECOLDDS-QHCPKHFHSA-N -1 3 379.456 3.897 20 0 GHADHM CCNS(=O)(=O)c1cccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000453312084 880780693 /nfs/dbraw/zinc/78/06/93/880780693.db2.gz UCXZQYRLCJPMRK-UHFFFAOYSA-N -1 3 387.461 3.531 20 0 GHADHM CC(C)=CCN1CC[C@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275207944 912626324 /nfs/dbraw/zinc/62/63/24/912626324.db2.gz BTXOTKKFSRFGNB-LJQANCHMSA-N -1 3 393.325 3.688 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000792198499 880983526 /nfs/dbraw/zinc/98/35/26/880983526.db2.gz NQFHCACMDGJRJB-UHFFFAOYSA-N -1 3 388.423 3.701 20 0 GHADHM Cc1ccc2c(c1Br)CN(C(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC000856286585 881084023 /nfs/dbraw/zinc/08/40/23/881084023.db2.gz BWIARMBTMQLSBR-UHFFFAOYSA-N -1 3 390.281 3.841 20 0 GHADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792486633 881141567 /nfs/dbraw/zinc/14/15/67/881141567.db2.gz NGEHFNQJRZUIDL-HNNXBMFYSA-N -1 3 399.451 3.706 20 0 GHADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000119923951 881174029 /nfs/dbraw/zinc/17/40/29/881174029.db2.gz PKMMWELVMTXCRD-CYBMUJFWSA-N -1 3 395.500 3.899 20 0 GHADHM Cn1ccc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1=O ZINC000609388131 883132600 /nfs/dbraw/zinc/13/26/00/883132600.db2.gz KUTTTXATVBRVPN-UHFFFAOYSA-N -1 3 385.470 3.789 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000153171852 883194084 /nfs/dbraw/zinc/19/40/84/883194084.db2.gz CLAOJCWLCIKWER-IAGOWNOFSA-N -1 3 398.425 3.682 20 0 GHADHM O=C([O-])C[C@@H](NCc1c[nH]nc1-c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000551057169 883200366 /nfs/dbraw/zinc/20/03/66/883200366.db2.gz RXPVHEDEMWYMPU-MRXNPFEDSA-N -1 3 390.365 3.796 20 0 GHADHM CCOc1cc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1O ZINC000182231111 883213133 /nfs/dbraw/zinc/21/31/33/883213133.db2.gz QINIXJNTLIDMIZ-VZUCSPMQSA-N -1 3 391.427 3.502 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000195341873 883288107 /nfs/dbraw/zinc/28/81/07/883288107.db2.gz HEEZZSJCHBYBGI-KRWDZBQOSA-N -1 3 390.487 3.601 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2C[C@@H](C)CSc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000185099320 883420189 /nfs/dbraw/zinc/42/01/89/883420189.db2.gz QSRAYDWNLJMVAF-LLVKDONJSA-N -1 3 391.924 3.748 20 0 GHADHM O=C([N-]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)c1ccccc1 ZINC000747220334 883429055 /nfs/dbraw/zinc/42/90/55/883429055.db2.gz IPLGXPNXBNNDBG-AWEZNQCLSA-N -1 3 375.293 3.527 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000185271974 883431192 /nfs/dbraw/zinc/43/11/92/883431192.db2.gz JBDZFESSTAKCHM-GJZGRUSLSA-N -1 3 399.372 3.905 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209832 883488056 /nfs/dbraw/zinc/48/80/56/883488056.db2.gz ZYTYBKWYNPGBFA-CMPLNLGQSA-N -1 3 396.734 3.584 20 0 GHADHM Cc1ccccc1[C@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130086986 883609406 /nfs/dbraw/zinc/60/94/06/883609406.db2.gz KNJZIAKJRWDLKG-HOCLYGCPSA-N -1 3 390.405 3.735 20 0 GHADHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000136049099 883632092 /nfs/dbraw/zinc/63/20/92/883632092.db2.gz BATQONDUJABXBL-APPDUMDISA-N -1 3 393.409 3.558 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)OC(C)C)cc2)c(C)c1 ZINC000116712547 883773235 /nfs/dbraw/zinc/77/32/35/883773235.db2.gz ZQXFIBWSNKMDLE-UHFFFAOYSA-N -1 3 376.478 3.739 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Br)c1 ZINC000475787952 883807581 /nfs/dbraw/zinc/80/75/81/883807581.db2.gz KBFBZNLXNMLBEQ-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CC)c(Cl)cc1Cl ZINC000914509550 883927227 /nfs/dbraw/zinc/92/72/27/883927227.db2.gz OTTLXKJWLBQADY-SNVBAGLBSA-N -1 3 381.325 3.552 20 0 GHADHM Cc1c(NC=C2C(=O)[N-]C(=O)c3ccccc32)cccc1NC(=O)c1ccccc1 ZINC000127541119 884095827 /nfs/dbraw/zinc/09/58/27/884095827.db2.gz STCPQAUYBKVIEX-RGEXLXHISA-N -1 3 397.434 3.970 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000476145024 884112720 /nfs/dbraw/zinc/11/27/20/884112720.db2.gz HZQQPKNNWAGISF-HNNXBMFYSA-N -1 3 378.350 3.654 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000476179041 884213998 /nfs/dbraw/zinc/21/39/98/884213998.db2.gz VEFQBXRYWVOKKC-CHWSQXEVSA-N -1 3 379.334 3.924 20 0 GHADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000918727344 884233319 /nfs/dbraw/zinc/23/33/19/884233319.db2.gz LOHRJCQJZVEKRJ-UHFFFAOYSA-N -1 3 383.400 3.964 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1F ZINC000729836477 884296938 /nfs/dbraw/zinc/29/69/38/884296938.db2.gz NYZMRWQKNBBQFT-GJZGRUSLSA-N -1 3 378.469 3.549 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000860275142 884512551 /nfs/dbraw/zinc/51/25/51/884512551.db2.gz AHGXMEQHXDQLCS-BMGDILEWSA-N -1 3 382.803 3.725 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(Cl)cc1 ZINC000914724763 884614764 /nfs/dbraw/zinc/61/47/64/884614764.db2.gz WUDAANGJFKBHOI-UHFFFAOYSA-N -1 3 398.887 3.833 20 0 GHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000914725152 884616345 /nfs/dbraw/zinc/61/63/45/884616345.db2.gz IVQJBGSEKNHCHJ-OAHLLOKOSA-N -1 3 392.496 3.654 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898206210 884630530 /nfs/dbraw/zinc/63/05/30/884630530.db2.gz VURWCTGJLLZTTJ-SNVBAGLBSA-N -1 3 390.802 3.501 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000806453237 884720325 /nfs/dbraw/zinc/72/03/25/884720325.db2.gz ISNLOAQUTXUOAO-JTQLQIEISA-N -1 3 399.285 3.596 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)c1 ZINC000475831932 884813472 /nfs/dbraw/zinc/81/34/72/884813472.db2.gz LVAMVVJLNAGXKG-UHFFFAOYSA-N -1 3 399.827 3.659 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccc(-n4cnc5ccccc54)cc3)no2)c(=O)[n-]1 ZINC000761868959 884889823 /nfs/dbraw/zinc/88/98/23/884889823.db2.gz SHHMGLXCURXCFD-UHFFFAOYSA-N -1 3 398.426 3.779 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cn(C)nc2-c2ccc(C)o2)c(F)c1F ZINC001127321311 884907154 /nfs/dbraw/zinc/90/71/54/884907154.db2.gz DOCOWPKOYURQMU-UHFFFAOYSA-N -1 3 377.322 3.861 20 0 GHADHM CSc1nc2ccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)cc2s1 ZINC000747344582 884925596 /nfs/dbraw/zinc/92/55/96/884925596.db2.gz GETIQSOQGHRVRV-UHFFFAOYSA-N -1 3 378.504 3.796 20 0 GHADHM COC(=O)N(Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)C1CC1 ZINC000761953670 885031816 /nfs/dbraw/zinc/03/18/16/885031816.db2.gz FDONXGPFSRZVRD-UHFFFAOYSA-N -1 3 379.416 3.764 20 0 GHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cc12 ZINC000106704412 885140212 /nfs/dbraw/zinc/14/02/12/885140212.db2.gz UDOHKONAMVFHLO-UHFFFAOYSA-N -1 3 387.465 3.777 20 0 GHADHM COc1ccc(Cl)cc1C1(c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)CC1 ZINC000351256874 885238067 /nfs/dbraw/zinc/23/80/67/885238067.db2.gz NJPAICWLXXQTHA-UHFFFAOYSA-N -1 3 386.839 3.515 20 0 GHADHM CSc1c(F)cccc1[N-]C(=O)c1nccn2c(Br)cnc12 ZINC001130858191 885266993 /nfs/dbraw/zinc/26/69/93/885266993.db2.gz SIYASMRCLYMPOB-UHFFFAOYSA-N -1 3 381.230 3.605 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(Cc3ccccc3)C(C)C)n[n-]2)o1 ZINC000919327700 885340688 /nfs/dbraw/zinc/34/06/88/885340688.db2.gz IYWBKEVDBGEUNL-MRXNPFEDSA-N -1 3 395.459 3.961 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(Cc3ccccc3)C(C)C)[n-]n2)o1 ZINC000919327700 885340706 /nfs/dbraw/zinc/34/07/06/885340706.db2.gz IYWBKEVDBGEUNL-MRXNPFEDSA-N -1 3 395.459 3.961 20 0 GHADHM COC(=O)c1nc(Br)sc1[N-]c1cc(SC)cnc1F ZINC001250138395 912929415 /nfs/dbraw/zinc/92/94/15/912929415.db2.gz DTHLALSWXCOIGV-UHFFFAOYSA-N -1 3 378.248 3.692 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053543841 885506309 /nfs/dbraw/zinc/50/63/09/885506309.db2.gz BETBGCMLXTTXGM-QZTJIDSGSA-N -1 3 396.487 3.728 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000747410389 885612365 /nfs/dbraw/zinc/61/23/65/885612365.db2.gz CIBWXGKZFZLMJK-UHFFFAOYSA-N -1 3 390.241 3.505 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)o1 ZINC000533201249 885648736 /nfs/dbraw/zinc/64/87/36/885648736.db2.gz ROPODENDNJPYRL-LLVKDONJSA-N -1 3 393.852 3.863 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000807788541 885744849 /nfs/dbraw/zinc/74/48/49/885744849.db2.gz SIMFQZFWBHMUEW-HNNXBMFYSA-N -1 3 389.320 3.656 20 0 GHADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000055589417 886091355 /nfs/dbraw/zinc/09/13/55/886091355.db2.gz RORBRKXHOCYLPI-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM O=c1nc(CN2CCOc3cc(F)ccc32)[n-]c2scc(-c3ccco3)c21 ZINC000118409192 886188732 /nfs/dbraw/zinc/18/87/32/886188732.db2.gz WCCWNIOBWPBEGH-UHFFFAOYSA-N -1 3 383.404 3.783 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000919747983 886276749 /nfs/dbraw/zinc/27/67/49/886276749.db2.gz WYOUNSNQCLMUGT-UHFFFAOYSA-N -1 3 375.469 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C(=O)Nc1cncc([O-])c1 ZINC001184143119 913027113 /nfs/dbraw/zinc/02/71/13/913027113.db2.gz CAMZZHXHQHVQGE-QFBILLFUSA-N -1 3 397.475 3.909 20 0 GHADHM COc1ccc(CN2CC[C@H]2CNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000862754914 886584122 /nfs/dbraw/zinc/58/41/22/886584122.db2.gz HWDVMDMAHKYLTH-INIZCTEOSA-N -1 3 382.485 3.620 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(OCC(F)(F)F)nc1 ZINC000476506255 886604055 /nfs/dbraw/zinc/60/40/55/886604055.db2.gz GJXCLKGXZVEOMO-UHFFFAOYSA-N -1 3 384.738 3.616 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3n[n-]c4c3cccc4OC)co2)cc1 ZINC000808672119 886668099 /nfs/dbraw/zinc/66/80/99/886668099.db2.gz DETPAEOFBCDQRM-UHFFFAOYSA-N -1 3 393.399 3.982 20 0 GHADHM CCOc1ccc(-c2nc(COC(=O)c3[n-]nc4c3cccc4OC)co2)cc1 ZINC000808672119 886668108 /nfs/dbraw/zinc/66/81/08/886668108.db2.gz DETPAEOFBCDQRM-UHFFFAOYSA-N -1 3 393.399 3.982 20 0 GHADHM COc1cccc2c(C(=O)OCc3cc(=O)oc4c(C)c(C)ccc34)n[n-]c21 ZINC000808673991 886670249 /nfs/dbraw/zinc/67/02/49/886670249.db2.gz MBOZOOUPEMCCHF-UHFFFAOYSA-N -1 3 378.384 3.652 20 0 GHADHM COc1cccc2c(C(=O)OCc3cc(=O)oc4c(C)c(C)ccc34)[n-]nc21 ZINC000808673991 886670254 /nfs/dbraw/zinc/67/02/54/886670254.db2.gz MBOZOOUPEMCCHF-UHFFFAOYSA-N -1 3 378.384 3.652 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N1CCCC[C@@H]1CCCc1ccccc1)c2[O-] ZINC000119420160 886674051 /nfs/dbraw/zinc/67/40/51/886674051.db2.gz LQZMQHKIZMUDOT-QGZVFWFLSA-N -1 3 378.476 3.692 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000132086626 886674111 /nfs/dbraw/zinc/67/41/11/886674111.db2.gz MSNUVKQELBIKBA-UHFFFAOYSA-N -1 3 387.461 3.748 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccc4ccccc4c3)n[n-]c21 ZINC000808675956 886674965 /nfs/dbraw/zinc/67/49/65/886674965.db2.gz YLNXASHNLNQNIB-CYBMUJFWSA-N -1 3 389.411 3.909 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000808675956 886674984 /nfs/dbraw/zinc/67/49/84/886674984.db2.gz YLNXASHNLNQNIB-CYBMUJFWSA-N -1 3 389.411 3.909 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c(F)c1 ZINC000476519967 886740775 /nfs/dbraw/zinc/74/07/75/886740775.db2.gz ZJQXCHHLJOARQA-UHFFFAOYSA-N -1 3 385.420 3.615 20 0 GHADHM CC(C)c1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132306382 886783194 /nfs/dbraw/zinc/78/31/94/886783194.db2.gz SZMGVMLEZHVMLX-UHFFFAOYSA-N -1 3 391.265 3.533 20 0 GHADHM Cc1cccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000863200697 886916205 /nfs/dbraw/zinc/91/62/05/886916205.db2.gz JNNMIMWUPFNLEI-UHFFFAOYSA-N -1 3 389.477 3.703 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc(Cl)c1[O-] ZINC000459314839 887260883 /nfs/dbraw/zinc/26/08/83/887260883.db2.gz QVSDNHITSPIRNB-UHFFFAOYSA-N -1 3 392.858 3.541 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2cccc([O-])c2Br)n1 ZINC000459352725 887570295 /nfs/dbraw/zinc/57/02/95/887570295.db2.gz KLGGVKBZBNBOFD-GFCCVEGCSA-N -1 3 398.301 3.903 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)/C=C/SCc3ccco3)c2)n1 ZINC000132035574 887601295 /nfs/dbraw/zinc/60/12/95/887601295.db2.gz OLQGZAVDBYYZIV-CSKARUKUSA-N -1 3 381.457 3.978 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1OC ZINC000794610234 887675649 /nfs/dbraw/zinc/67/56/49/887675649.db2.gz ZZDRUZYLBRNROQ-MDZDMXLPSA-N -1 3 381.837 3.548 20 0 GHADHM COc1cc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c(OC)c(C)c1OC ZINC000794614651 887679466 /nfs/dbraw/zinc/67/94/66/887679466.db2.gz UZWSHNJRWCBMNP-ZHACJKMWSA-N -1 3 377.462 3.742 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2Br)c([O-])c1 ZINC000536621628 887707619 /nfs/dbraw/zinc/70/76/19/887707619.db2.gz WVUNJPGZXYYTSY-UHFFFAOYSA-N -1 3 394.221 3.592 20 0 GHADHM O=C([O-])[C@@H](CNCc1cccnc1Br)Cc1ccc(Cl)cc1 ZINC000864504941 887810480 /nfs/dbraw/zinc/81/04/80/887810480.db2.gz ULKIAQYGXLZJHL-CYBMUJFWSA-N -1 3 383.673 3.531 20 0 GHADHM O=C([O-])[C@@H](CC1CC1)NCc1c(F)ccc(C(F)(F)F)c1Br ZINC000864512235 887816857 /nfs/dbraw/zinc/81/68/57/887816857.db2.gz CTQIVUKKFMMOMM-LLVKDONJSA-N -1 3 384.167 3.950 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000055106673 888085941 /nfs/dbraw/zinc/08/59/41/888085941.db2.gz VFJROXCXCZQRHB-UHFFFAOYSA-N -1 3 395.484 3.980 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1c[n-]c2ccccc2c1=O ZINC000055762213 888277809 /nfs/dbraw/zinc/27/78/09/888277809.db2.gz DAYUPOHMVHNLPC-UHFFFAOYSA-N -1 3 396.874 3.660 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC000055709754 888279819 /nfs/dbraw/zinc/27/98/19/888279819.db2.gz BBGUCZGIOWLHEH-UHFFFAOYSA-N -1 3 382.460 3.651 20 0 GHADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1)O[C@@H](C)C2 ZINC000747599913 888308240 /nfs/dbraw/zinc/30/82/40/888308240.db2.gz AXTNUTDEQUSTCM-YXVBKTCISA-N -1 3 377.437 3.960 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000763217150 888337509 /nfs/dbraw/zinc/33/75/09/888337509.db2.gz REXNZXMFEZZZCU-GJZGRUSLSA-N -1 3 385.533 3.869 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1noc2c1CCCCC2 ZINC000614860406 888345417 /nfs/dbraw/zinc/34/54/17/888345417.db2.gz LYINHMGGGRGURS-UHFFFAOYSA-N -1 3 398.200 3.506 20 0 GHADHM Cc1nc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1-c1ccccc1 ZINC000810274362 888372441 /nfs/dbraw/zinc/37/24/41/888372441.db2.gz BVLUXFCXTUYDHA-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2cccc(OCc3cccnc3)c2)[nH][n-]1 ZINC000536632560 888373067 /nfs/dbraw/zinc/37/30/67/888373067.db2.gz JHIXPWSLUXJRLU-UHFFFAOYSA-N -1 3 398.466 3.962 20 0 GHADHM CC[C@@H](C)N(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000459374003 888379047 /nfs/dbraw/zinc/37/90/47/888379047.db2.gz ITTAQPXDMQJZDY-CYBMUJFWSA-N -1 3 379.464 3.509 20 0 GHADHM COc1cc2nc(C(Cl)=Cc3ccc([O-])c(F)c3)[nH]c(=O)c2cc1OC ZINC000120847179 888688249 /nfs/dbraw/zinc/68/82/49/888688249.db2.gz HROVMBMPIORNRR-WZUFQYTHSA-N -1 3 376.771 3.522 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1c2ncsc2ccc1Cl ZINC001184500950 913278265 /nfs/dbraw/zinc/27/82/65/913278265.db2.gz CWXLVRNNTBQMLB-UHFFFAOYSA-N -1 3 391.905 3.952 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000121086407 888907315 /nfs/dbraw/zinc/90/73/15/888907315.db2.gz BQZLBVYTPGAJNC-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000121086407 888907320 /nfs/dbraw/zinc/90/73/20/888907320.db2.gz BQZLBVYTPGAJNC-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2cccc(C)c2)cc1OC ZINC000454373494 888912545 /nfs/dbraw/zinc/91/25/45/888912545.db2.gz UVBOYQWNVIEYSR-AWEZNQCLSA-N -1 3 391.493 3.648 20 0 GHADHM O=C(COC(=O)c1ccccc1CCc1ccccc1)[N-]C(=O)c1cccs1 ZINC000916406213 888970892 /nfs/dbraw/zinc/97/08/92/888970892.db2.gz FRCHIWFYIXPKBV-UHFFFAOYSA-N -1 3 393.464 3.647 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC(C)(C)C1 ZINC000810900542 889008871 /nfs/dbraw/zinc/00/88/71/889008871.db2.gz YNPKKHSOIGEZEH-QLFBSQMISA-N -1 3 376.463 3.756 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810906350 889013162 /nfs/dbraw/zinc/01/31/62/889013162.db2.gz SCRJEOJKZOZIRK-OAGGEKHMSA-N -1 3 396.453 3.893 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1Cl ZINC000763375243 889058651 /nfs/dbraw/zinc/05/86/51/889058651.db2.gz JVIUJEKYXUOHBV-LLVKDONJSA-N -1 3 395.695 3.708 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1c(Cl)cccc1Cl ZINC000532858666 889096871 /nfs/dbraw/zinc/09/68/71/889096871.db2.gz MVPQLXVPXFNQMZ-COLVAYQJSA-N -1 3 376.305 3.619 20 0 GHADHM Cc1cccc(NC(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000016720270 889133686 /nfs/dbraw/zinc/13/36/86/889133686.db2.gz UDIVRNRYERFTOM-XSFVSMFZSA-N -1 3 397.434 3.970 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(F)cc1Cl ZINC001211979162 889175359 /nfs/dbraw/zinc/17/53/59/889175359.db2.gz VATZTLFEWJUAPY-SSDOTTSWSA-N -1 3 382.638 3.874 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3C)c1 ZINC000542593671 889250889 /nfs/dbraw/zinc/25/08/89/889250889.db2.gz QTMILETUBIHMRL-IBGZPJMESA-N -1 3 391.427 3.667 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@H](C2CC2)C1 ZINC000644517989 913331070 /nfs/dbraw/zinc/33/10/70/913331070.db2.gz IPBQRNCHKFBYLD-LBPRGKRZSA-N -1 3 375.266 3.553 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000811394139 889534416 /nfs/dbraw/zinc/53/44/16/889534416.db2.gz XOWMJGJKQCNRDN-LBPRGKRZSA-N -1 3 398.868 3.618 20 0 GHADHM NC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393548 889534518 /nfs/dbraw/zinc/53/45/18/889534518.db2.gz MPYCVPGWCDUTCQ-LBPRGKRZSA-N -1 3 383.256 3.790 20 0 GHADHM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000811396421 889537551 /nfs/dbraw/zinc/53/75/51/889537551.db2.gz OURIKXXFHRCLQC-QMMMGPOBSA-N -1 3 394.836 3.540 20 0 GHADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCCc1ccc(F)cc1 ZINC000811396512 889537830 /nfs/dbraw/zinc/53/78/30/889537830.db2.gz PWXVKSXULPNZQB-JTQLQIEISA-N -1 3 394.855 3.926 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000811460639 889621024 /nfs/dbraw/zinc/62/10/24/889621024.db2.gz SSDFDXCQRRTXSS-MRXNPFEDSA-N -1 3 382.888 3.859 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000245755662 889648816 /nfs/dbraw/zinc/64/88/16/889648816.db2.gz YIDFVHLPIZNDIK-SZMVWBNQSA-N -1 3 382.435 3.943 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3csc(CC(C)C)n3)c2)n1 ZINC000063595074 889667614 /nfs/dbraw/zinc/66/76/14/889667614.db2.gz BSQZBFYNHMMJLI-UHFFFAOYSA-N -1 3 382.489 3.907 20 0 GHADHM CCc1cccc(C(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000811604084 889802465 /nfs/dbraw/zinc/80/24/65/889802465.db2.gz OUEZGBHEVXGKFK-SPLOXXLWSA-N -1 3 376.497 3.578 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1C ZINC000533120801 889819950 /nfs/dbraw/zinc/81/99/50/889819950.db2.gz JFJGXNPARMTSCW-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM Cc1cccc(OCCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000064343150 889911500 /nfs/dbraw/zinc/91/15/00/889911500.db2.gz VGCIWXVDNDCOLI-UHFFFAOYSA-N -1 3 377.444 3.851 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2Cl)cc(OC)c1[O-] ZINC000869448354 889941911 /nfs/dbraw/zinc/94/19/11/889941911.db2.gz XBGPSJDGTSNVJT-NSHDSACASA-N -1 3 393.823 3.555 20 0 GHADHM O=S(=O)(C=Cc1cccc(Br)c1)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000811832221 890017243 /nfs/dbraw/zinc/01/72/43/890017243.db2.gz MTONLYBTNXEYJG-SNAWJCMRSA-N -1 3 396.188 3.604 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1C(F)(F)F ZINC000811824140 890042651 /nfs/dbraw/zinc/04/26/51/890042651.db2.gz JVXHUTMXXRRBID-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccccc2Br)n1 ZINC000125582624 890043365 /nfs/dbraw/zinc/04/33/65/890043365.db2.gz ZYHBMUVVKBCYDL-SNVBAGLBSA-N -1 3 396.310 3.768 20 0 GHADHM O=C(NCCC1CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000122779659 890077609 /nfs/dbraw/zinc/07/76/09/890077609.db2.gz NOFLSJAQZVWTBZ-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000533263370 890163317 /nfs/dbraw/zinc/16/33/17/890163317.db2.gz YWEOAHOHIIPKHL-KNQAVFIVSA-N -1 3 376.456 3.957 20 0 GHADHM CCCc1nnc([N-]C(=O)c2n[nH]c(-c3ccccc3)c2Br)s1 ZINC000065108804 890302009 /nfs/dbraw/zinc/30/20/09/890302009.db2.gz ZHFHBMIKIOALHA-UHFFFAOYSA-N -1 3 392.282 3.896 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2c(F)cc(F)cc2C1 ZINC000126153782 890386952 /nfs/dbraw/zinc/38/69/52/890386952.db2.gz DPPJHUVPDOLMAA-UHFFFAOYSA-N -1 3 397.219 3.701 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000870628583 890450366 /nfs/dbraw/zinc/45/03/66/890450366.db2.gz PWQDEOLSYVCMHI-UHFFFAOYSA-N -1 3 391.884 3.819 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC/C=C\Cl)c2)cc1 ZINC000812401165 890584926 /nfs/dbraw/zinc/58/49/26/890584926.db2.gz WETKKORISKZQAC-KMKOMSMNSA-N -1 3 394.880 3.518 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc(-c2ccccn2)s1 ZINC000126595612 890607947 /nfs/dbraw/zinc/60/79/47/890607947.db2.gz LCFSVJJFOSLBTB-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccc(CC)cc3[O-])CC2)cc1 ZINC000812676805 890860581 /nfs/dbraw/zinc/86/05/81/890860581.db2.gz OKKJMYVCFZRFJV-QFIPXVFZSA-N -1 3 383.488 3.939 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c([O-])c1 ZINC000127367876 891024787 /nfs/dbraw/zinc/02/47/87/891024787.db2.gz LZPPHZAGVAEHDX-UHFFFAOYSA-N -1 3 397.406 3.763 20 0 GHADHM Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000123821676 891044280 /nfs/dbraw/zinc/04/42/80/891044280.db2.gz RXEPIFFDWPLAFH-LDADJPATSA-N -1 3 377.448 3.621 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cn1)c1ccccc1 ZINC000533675932 891083718 /nfs/dbraw/zinc/08/37/18/891083718.db2.gz JIEDYKZRSJERRQ-OAHLLOKOSA-N -1 3 385.427 3.681 20 0 GHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1ccc2ncccc2c1 ZINC000066927834 891114541 /nfs/dbraw/zinc/11/45/41/891114541.db2.gz DKRISBGFJNJMKC-UHFFFAOYSA-N -1 3 379.807 3.735 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc([O-])c2F)c2nccn2C)c1 ZINC000872021219 891120652 /nfs/dbraw/zinc/12/06/52/891120652.db2.gz PBSUCERNJUMORI-RNODOKPDSA-N -1 3 385.439 3.722 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cccc([O-])c2F)c2nccn2C)c1 ZINC000872021223 891121142 /nfs/dbraw/zinc/12/11/42/891121142.db2.gz PBSUCERNJUMORI-ZUOKHONESA-N -1 3 385.439 3.722 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1ccccc1F)c1cccnc1Cl ZINC001184909200 913529362 /nfs/dbraw/zinc/52/93/62/913529362.db2.gz GLUYVKMRFZFURK-MRXNPFEDSA-N -1 3 398.887 3.710 20 0 GHADHM O=C(CCCCCc1cccs1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000067136345 891205473 /nfs/dbraw/zinc/20/54/73/891205473.db2.gz ORUSERXZEKPDGO-UHFFFAOYSA-N -1 3 386.517 3.541 20 0 GHADHM Cn1c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)nc2ccc(Cl)cc21 ZINC000872323215 891237876 /nfs/dbraw/zinc/23/78/76/891237876.db2.gz FCIVSBSFEVFTCC-CVEARBPZSA-N -1 3 387.842 3.666 20 0 GHADHM CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(Cl)c1 ZINC000072007795 891238108 /nfs/dbraw/zinc/23/81/08/891238108.db2.gz MLNCTIAYGIZFMS-GOSISDBHSA-N -1 3 396.878 3.604 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(C)C ZINC000872353133 891244692 /nfs/dbraw/zinc/24/46/92/891244692.db2.gz WLZOKHYOJRPZAY-RUZDIDTESA-N -1 3 395.546 3.888 20 0 GHADHM CCN(CC)[C@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000067269538 891246650 /nfs/dbraw/zinc/24/66/50/891246650.db2.gz NMDKLVJYXCTIKV-NRFANRHFSA-N -1 3 390.487 3.767 20 0 GHADHM CC(C)c1cc([C@@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)n[nH]1 ZINC000872789712 891330347 /nfs/dbraw/zinc/33/03/47/891330347.db2.gz AZVZUFVNZRTIBW-CQSZACIVSA-N -1 3 383.525 3.686 20 0 GHADHM CC(C)c1cc([C@@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)[nH]n1 ZINC000872789712 891330363 /nfs/dbraw/zinc/33/03/63/891330363.db2.gz AZVZUFVNZRTIBW-CQSZACIVSA-N -1 3 383.525 3.686 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000872988052 891411014 /nfs/dbraw/zinc/41/10/14/891411014.db2.gz GNXIFBVCENBJCJ-ZYKOEDHHSA-N -1 3 392.499 3.562 20 0 GHADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825648836 891446069 /nfs/dbraw/zinc/44/60/69/891446069.db2.gz DKEUZBMNPMHCCP-PBHICJAKSA-N -1 3 398.854 3.596 20 0 GHADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825648836 891446077 /nfs/dbraw/zinc/44/60/77/891446077.db2.gz DKEUZBMNPMHCCP-PBHICJAKSA-N -1 3 398.854 3.596 20 0 GHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C2CC2)no1 ZINC000644951941 913562094 /nfs/dbraw/zinc/56/20/94/913562094.db2.gz WOUTVCYOHVSOOQ-INIZCTEOSA-N -1 3 397.909 3.850 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cc4ccccc4o3)cs2)o1 ZINC000497573906 891916301 /nfs/dbraw/zinc/91/63/01/891916301.db2.gz BTHNDYSNZRYKBP-UHFFFAOYSA-N -1 3 388.426 3.805 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)o1 ZINC000813761931 891934750 /nfs/dbraw/zinc/93/47/50/891934750.db2.gz ZEPAPCNAOJJZIW-UHFFFAOYSA-N -1 3 384.885 3.660 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1(CO)CCCC1 ZINC001212088616 891943373 /nfs/dbraw/zinc/94/33/73/891943373.db2.gz XXOPIBGNACHXOC-OAHLLOKOSA-N -1 3 397.434 3.700 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1(CO)CCCC1 ZINC001212087996 891963374 /nfs/dbraw/zinc/96/33/74/891963374.db2.gz BZHIBGIKCVQQPV-KRWDZBQOSA-N -1 3 394.562 3.666 20 0 GHADHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CCCc3c(Cl)cccc3Cl)C2)cn1 ZINC000874048142 891967089 /nfs/dbraw/zinc/96/70/89/891967089.db2.gz KWYBPLMJQDKINA-ZIAGYGMSSA-N -1 3 396.318 3.850 20 0 GHADHM CCc1nnc([N-]C(=O)c2cc(Br)sc2Br)s1 ZINC000116617761 892007147 /nfs/dbraw/zinc/00/71/47/892007147.db2.gz JMZNRLADMDPUGK-UHFFFAOYSA-N -1 3 397.117 3.939 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1cccc([O-])c1F ZINC000128564789 892133218 /nfs/dbraw/zinc/13/32/18/892133218.db2.gz XVKLRVGVBSGTBQ-UHFFFAOYSA-N -1 3 389.383 3.560 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)Nc1ccc(I)cc1[O-] ZINC001185098256 913636412 /nfs/dbraw/zinc/63/64/12/913636412.db2.gz UUDDMSRCECMJNW-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=C(N[C@H]1CC12CCC2)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000874780672 892326634 /nfs/dbraw/zinc/32/66/34/892326634.db2.gz QPKWNIBDMKXTST-LBPRGKRZSA-N -1 3 381.657 3.616 20 0 GHADHM NC(=O)c1cccc(Oc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)c1 ZINC000068477555 892326868 /nfs/dbraw/zinc/32/68/68/892326868.db2.gz NIYOVARZFFCJJZ-UHFFFAOYSA-N -1 3 399.406 3.672 20 0 GHADHM COCO[C@H](C)c1cc(F)c(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000874930069 892379808 /nfs/dbraw/zinc/37/98/08/892379808.db2.gz WDMSSLZMYCLWDI-MLRKJWDCSA-N -1 3 390.230 3.594 20 0 GHADHM Cc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1Cc1ccc(C)cc1 ZINC000497808991 892447930 /nfs/dbraw/zinc/44/79/30/892447930.db2.gz LQTCOWIPGNFJAW-UHFFFAOYSA-N -1 3 390.486 3.600 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000263397026 892547928 /nfs/dbraw/zinc/54/79/28/892547928.db2.gz ZNFWLRNABNJSKH-LZQZEXGQSA-N -1 3 377.444 3.869 20 0 GHADHM C[C@H](Oc1ccc(Br)cc1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497874451 892599624 /nfs/dbraw/zinc/59/96/24/892599624.db2.gz INYCINUMQBVOTB-LBPRGKRZSA-N -1 3 386.249 3.667 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1c(C)noc1C ZINC000128927353 892699812 /nfs/dbraw/zinc/69/98/12/892699812.db2.gz AWBQXYXRCAFVRU-CYBMUJFWSA-N -1 3 382.258 3.710 20 0 GHADHM O=C(OCCC1CCOCC1)c1n[n-]c(-c2ccccc2)c1Br ZINC000814460611 892722429 /nfs/dbraw/zinc/72/24/29/892722429.db2.gz LHIAXOGBKNJAEU-UHFFFAOYSA-N -1 3 379.254 3.813 20 0 GHADHM CC(C)CC[C@@H]([N-]S(=O)(=O)Cc1cc(F)cc(F)c1)C(=O)OC(C)(C)C ZINC001185160158 913693117 /nfs/dbraw/zinc/69/31/17/913693117.db2.gz LEILTUAOMYJQJB-MRXNPFEDSA-N -1 3 391.480 3.531 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nc(-c4cnn(C)c4)ns3)cs2)cc1 ZINC001134661938 893190079 /nfs/dbraw/zinc/19/00/79/893190079.db2.gz OOJYRKGUEZGFCY-UHFFFAOYSA-N -1 3 396.501 3.547 20 0 GHADHM CCc1ccc(Br)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000876481817 893198738 /nfs/dbraw/zinc/19/87/38/893198738.db2.gz MLNWPDSQCAJRFD-UHFFFAOYSA-N -1 3 378.270 3.695 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)/C=C3/CC[C@H](C)C3)[n-]c2c(Br)c1 ZINC001134789141 893304656 /nfs/dbraw/zinc/30/46/56/893304656.db2.gz OBLRRXDZHSKLAS-LKJZUNMESA-N -1 3 392.253 3.797 20 0 GHADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788628 893305720 /nfs/dbraw/zinc/30/57/20/893305720.db2.gz FGXJDBJRUKTVMK-RKDXNWHRSA-N -1 3 382.258 3.733 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000533871463 893379051 /nfs/dbraw/zinc/37/90/51/893379051.db2.gz HMASUWNRGNFFJG-UHFFFAOYSA-N -1 3 378.384 3.544 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000815184621 893529298 /nfs/dbraw/zinc/52/92/98/893529298.db2.gz FNOJOBZICMDXSF-OTYXRUKQSA-N -1 3 385.222 3.980 20 0 GHADHM Cc1nc(C(C)C)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000815189268 893535345 /nfs/dbraw/zinc/53/53/45/893535345.db2.gz MNFGFTJCMUBEKA-LJQANCHMSA-N -1 3 382.460 3.567 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)n[n-]2)o1 ZINC000815192016 893538609 /nfs/dbraw/zinc/53/86/09/893538609.db2.gz ANFRVXIZXPNKON-ORAYPTAESA-N -1 3 397.406 3.636 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)[n-]n2)o1 ZINC000815192016 893538622 /nfs/dbraw/zinc/53/86/22/893538622.db2.gz ANFRVXIZXPNKON-ORAYPTAESA-N -1 3 397.406 3.636 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)cs1 ZINC000934351227 893563743 /nfs/dbraw/zinc/56/37/43/893563743.db2.gz QLHUCIWSEQIJAR-VIFPVBQESA-N -1 3 375.828 3.616 20 0 GHADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000934361195 893572327 /nfs/dbraw/zinc/57/23/27/893572327.db2.gz AWKQFVHRLMQMAL-ZJUUUORDSA-N -1 3 388.336 3.905 20 0 GHADHM O=C(Cc1coc(-c2ccccc2)n1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000026625766 893631285 /nfs/dbraw/zinc/63/12/85/893631285.db2.gz DPYQHYPHLWAUHG-UHFFFAOYSA-N -1 3 390.226 3.652 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)Oc3ccc(OC)cc3)nc21 ZINC001134940435 893647289 /nfs/dbraw/zinc/64/72/89/893647289.db2.gz GDYLIXKEIZMSGR-UHFFFAOYSA-N -1 3 397.431 3.544 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(CCc3ccc(O)cc3)CC2)o1 ZINC000877963097 893917475 /nfs/dbraw/zinc/91/74/75/893917475.db2.gz ALZRWXQPODQIMQ-UHFFFAOYSA-N -1 3 379.460 3.993 20 0 GHADHM O=c1[n-]c(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)nc2c1COCC2 ZINC000877977472 893924026 /nfs/dbraw/zinc/92/40/26/893924026.db2.gz YBDYRLRZZFMUIM-UHFFFAOYSA-N -1 3 380.275 3.726 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)o1 ZINC000536892922 894045739 /nfs/dbraw/zinc/04/57/39/894045739.db2.gz IPQXURDGEYKJSN-OAQYLSRUSA-N -1 3 383.469 3.981 20 0 GHADHM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000878212298 894096103 /nfs/dbraw/zinc/09/61/03/894096103.db2.gz SXSKPGBNHDUEKZ-UHFFFAOYSA-N -1 3 391.393 3.804 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)Oc3ccc(C)cc3)nc(=O)c2c1C ZINC000022618515 894173772 /nfs/dbraw/zinc/17/37/72/894173772.db2.gz PFLGQGSZJHFIPE-QWHCGFSZSA-N -1 3 386.473 3.982 20 0 GHADHM CC(C)Cn1ncc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1C(F)F ZINC000935129739 894214368 /nfs/dbraw/zinc/21/43/68/894214368.db2.gz ZOZGXYFSHXMDGE-UHFFFAOYSA-N -1 3 396.344 3.849 20 0 GHADHM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001135254903 894262026 /nfs/dbraw/zinc/26/20/26/894262026.db2.gz BLJCUJODGNVUKK-UHFFFAOYSA-N -1 3 390.505 3.628 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001135306736 894349794 /nfs/dbraw/zinc/34/97/94/894349794.db2.gz XNIMROHGBXWDDN-UHFFFAOYSA-N -1 3 384.476 3.765 20 0 GHADHM C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878529697 894362121 /nfs/dbraw/zinc/36/21/21/894362121.db2.gz MJEJJQKWOXXMBJ-CQSZACIVSA-N -1 3 394.431 3.592 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2)cs1 ZINC000563972424 894387232 /nfs/dbraw/zinc/38/72/32/894387232.db2.gz UQFCFZDWMNVXHX-NSHDSACASA-N -1 3 380.473 3.983 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185444426 913866001 /nfs/dbraw/zinc/86/60/01/913866001.db2.gz IOGZRKBIZODGRG-UHFFFAOYSA-N -1 3 382.292 3.872 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185444426 913866013 /nfs/dbraw/zinc/86/60/13/913866013.db2.gz IOGZRKBIZODGRG-UHFFFAOYSA-N -1 3 382.292 3.872 20 0 GHADHM CCc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1CC ZINC000537172466 894492182 /nfs/dbraw/zinc/49/21/82/894492182.db2.gz ACJNBHVOJLVFMF-UHFFFAOYSA-N -1 3 390.487 3.836 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)o1 ZINC000878759472 894585176 /nfs/dbraw/zinc/58/51/76/894585176.db2.gz ADCBWWOALBJEFL-IBGZPJMESA-N -1 3 379.460 3.605 20 0 GHADHM CC(C)(C)OC1CC(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000935651180 894699978 /nfs/dbraw/zinc/69/99/78/894699978.db2.gz PKSNHDQENJSMND-UHFFFAOYSA-N -1 3 378.419 3.520 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c([O-])c1 ZINC001170831753 894926816 /nfs/dbraw/zinc/92/68/16/894926816.db2.gz CUOJFSAVCZDWFU-INIZCTEOSA-N -1 3 390.842 3.843 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CC3(C2)CCCCC3)cc1OC ZINC000666866387 895092629 /nfs/dbraw/zinc/09/26/29/895092629.db2.gz OCTISMSKFLVCCE-UHFFFAOYSA-N -1 3 380.510 3.756 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000564596766 895109297 /nfs/dbraw/zinc/10/92/97/895109297.db2.gz HMBSKKQJLBOTPQ-HNNXBMFYSA-N -1 3 399.925 3.575 20 0 GHADHM CCCCc1cc([N-]S(=O)(=O)C=Cc2cccc(Br)c2)n[nH]1 ZINC000760323570 895189535 /nfs/dbraw/zinc/18/95/35/895189535.db2.gz SOUYUNJINNPYQW-CMDGGOBGSA-N -1 3 384.299 3.927 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(F)cc1F ZINC000760342697 895230113 /nfs/dbraw/zinc/23/01/13/895230113.db2.gz NIWIBPHAALOYMG-UHFFFAOYSA-N -1 3 392.786 3.825 20 0 GHADHM O=c1nc(CN2[C@@H]3CC[C@H]2CC(CCO)C3)[n-]c2scc(-c3ccco3)c21 ZINC000879777569 895282990 /nfs/dbraw/zinc/28/29/90/895282990.db2.gz DJFOAFMQXAMWKZ-AGUYFDCRSA-N -1 3 385.489 3.782 20 0 GHADHM COc1cc(-c2nc(CCn3cnc4cc(C)c(C)cc43)no2)cc(OC)c1[O-] ZINC000817097065 895335565 /nfs/dbraw/zinc/33/55/65/895335565.db2.gz BZXOVGPTRSTGHP-UHFFFAOYSA-N -1 3 394.431 3.669 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@@H](C(F)(F)F)O1 ZINC000880056823 895483718 /nfs/dbraw/zinc/48/37/18/895483718.db2.gz LAKRAIZCCCUOQR-GWCFXTLKSA-N -1 3 381.354 3.623 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3c(C)sc4c3cccc4C)CCCC2)no1 ZINC001185588615 913977180 /nfs/dbraw/zinc/97/71/80/913977180.db2.gz SXKLDAMYRKXDRJ-UHFFFAOYSA-N -1 3 391.518 3.957 20 0 GHADHM CC(C)(CO)ON=C([O-])Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000880230664 895585009 /nfs/dbraw/zinc/58/50/09/895585009.db2.gz MSFKSNSBBLGUQW-ZJUUUORDSA-N -1 3 381.420 3.803 20 0 GHADHM CC(C)(CO)O[N-]C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000880230664 895585019 /nfs/dbraw/zinc/58/50/19/895585019.db2.gz MSFKSNSBBLGUQW-ZJUUUORDSA-N -1 3 381.420 3.803 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(C(F)(F)F)nc1Cl ZINC000817861289 895935889 /nfs/dbraw/zinc/93/58/89/895935889.db2.gz CWTKGYPSJJNTOV-LURJTMIESA-N -1 3 387.724 3.655 20 0 GHADHM C[C@@H](SC[C@@H]1CN(C)CCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000566214727 896175482 /nfs/dbraw/zinc/17/54/82/896175482.db2.gz NTYZPGSGAGFRSF-NEPJUHHUSA-N -1 3 391.518 3.782 20 0 GHADHM CC(C)C[C@H](NC(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000566221392 896183694 /nfs/dbraw/zinc/18/36/94/896183694.db2.gz OLEFGBVWZZSNFI-FSSWDIPSSA-N -1 3 394.515 3.690 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1)C(C)C ZINC000818782613 896240372 /nfs/dbraw/zinc/24/03/72/896240372.db2.gz PQNPUIKMJAKTII-UHFFFAOYSA-N -1 3 376.478 3.509 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(C2CCCCC2)C1 ZINC000566582315 896391487 /nfs/dbraw/zinc/39/14/87/896391487.db2.gz SIIBQQKGSOUACU-UHFFFAOYSA-N -1 3 389.293 3.943 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)CC(F)F ZINC000645795162 914068187 /nfs/dbraw/zinc/06/81/87/914068187.db2.gz MSQQFYVIYJNDAG-ZETCQYMHSA-N -1 3 376.650 3.672 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000566776320 896562049 /nfs/dbraw/zinc/56/20/49/896562049.db2.gz BOVWIYSHHAUXKG-NSHDSACASA-N -1 3 395.527 3.659 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2cccc(N(C)C)c2)c1-c1nnn[n-]1 ZINC000826237655 896591738 /nfs/dbraw/zinc/59/17/38/896591738.db2.gz HTVPSBNMYDMEAR-INIZCTEOSA-N -1 3 383.887 3.631 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2cccc(N(C)C)c2)c1-c1nn[n-]n1 ZINC000826237655 896591744 /nfs/dbraw/zinc/59/17/44/896591744.db2.gz HTVPSBNMYDMEAR-INIZCTEOSA-N -1 3 383.887 3.631 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2Cl)o1 ZINC000041793252 896756949 /nfs/dbraw/zinc/75/69/49/896756949.db2.gz AEXKRXVEHRRRIN-UHFFFAOYSA-N -1 3 384.263 3.503 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N1CC=CCC1 ZINC000826272195 896824678 /nfs/dbraw/zinc/82/46/78/896824678.db2.gz YLXANZDBPSMRGN-UHFFFAOYSA-N -1 3 390.447 3.548 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N1CC=CCC1 ZINC000826272195 896824684 /nfs/dbraw/zinc/82/46/84/896824684.db2.gz YLXANZDBPSMRGN-UHFFFAOYSA-N -1 3 390.447 3.548 20 0 GHADHM CC1(C)CC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000567071519 896847875 /nfs/dbraw/zinc/84/78/75/896847875.db2.gz HVZXVCUOQUPVPH-QGZVFWFLSA-N -1 3 376.453 3.545 20 0 GHADHM Cc1nc2ccccc2n1CCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136243027 896861688 /nfs/dbraw/zinc/86/16/88/896861688.db2.gz SCZSJRYNNKLRSW-UHFFFAOYSA-N -1 3 394.862 3.660 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC001136250643 896889314 /nfs/dbraw/zinc/88/93/14/896889314.db2.gz FHYAOVCJCQYOPH-UHFFFAOYSA-N -1 3 392.481 3.602 20 0 GHADHM COC(=O)c1cc2cc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccc2o1 ZINC001136254720 896909014 /nfs/dbraw/zinc/90/90/14/896909014.db2.gz XZGILNOCKQLGGU-UHFFFAOYSA-N -1 3 396.786 3.967 20 0 GHADHM Cc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CC2)cn1 ZINC000826286231 896922309 /nfs/dbraw/zinc/92/23/09/896922309.db2.gz WHALORTVZTWBOY-UHFFFAOYSA-N -1 3 388.397 3.973 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819987752 897096920 /nfs/dbraw/zinc/09/69/20/897096920.db2.gz KEUNSTPVIDRFHU-UHFFFAOYSA-N -1 3 391.809 3.549 20 0 GHADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819987752 897096928 /nfs/dbraw/zinc/09/69/28/897096928.db2.gz KEUNSTPVIDRFHU-UHFFFAOYSA-N -1 3 391.809 3.549 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000820212734 897210802 /nfs/dbraw/zinc/21/08/02/897210802.db2.gz BOGDZXKYKVPPNC-FQEVSTJZSA-N -1 3 399.406 3.975 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339299 897279897 /nfs/dbraw/zinc/27/98/97/897279897.db2.gz BJWILVPDFXVXHM-ZDUSSCGKSA-N -1 3 376.420 3.516 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339299 897279914 /nfs/dbraw/zinc/27/99/14/897279914.db2.gz BJWILVPDFXVXHM-ZDUSSCGKSA-N -1 3 376.420 3.516 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000567858068 897457598 /nfs/dbraw/zinc/45/75/98/897457598.db2.gz ULNZZEKWXFGXTH-SUYBPPKGSA-N -1 3 399.318 3.842 20 0 GHADHM CC(C)COc1ccccc1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001136366787 897479471 /nfs/dbraw/zinc/47/94/71/897479471.db2.gz XMDXFCTUYKFDEG-UHFFFAOYSA-N -1 3 386.398 3.771 20 0 GHADHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1OC ZINC000131520512 897491563 /nfs/dbraw/zinc/49/15/63/897491563.db2.gz VJESBYBGXOGWAI-UHFFFAOYSA-N -1 3 398.484 3.675 20 0 GHADHM Cc1ccncc1C=CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826315796 897508139 /nfs/dbraw/zinc/50/81/39/897508139.db2.gz ULAYNVNIQHUWSL-FLIBITNWSA-N -1 3 383.411 3.856 20 0 GHADHM Cc1ccncc1C=CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826315796 897508157 /nfs/dbraw/zinc/50/81/57/897508157.db2.gz ULAYNVNIQHUWSL-FLIBITNWSA-N -1 3 383.411 3.856 20 0 GHADHM CN(CCOc1c(Cl)cccc1Cl)Cc1ccc(OCC(=O)[O-])cc1 ZINC000568099621 897590586 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GHADHM Cc1csc(CC2(O)CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)n1 ZINC000824477530 899622895 /nfs/dbraw/zinc/62/28/95/899622895.db2.gz FCSBGHJBLIQYSN-UHFFFAOYSA-N -1 3 388.514 3.582 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000824492024 899635368 /nfs/dbraw/zinc/63/53/68/899635368.db2.gz WQKHRKQZJCDYOH-KGLIPLIRSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000824492024 899635375 /nfs/dbraw/zinc/63/53/75/899635375.db2.gz WQKHRKQZJCDYOH-KGLIPLIRSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000824520619 899655555 /nfs/dbraw/zinc/65/55/55/899655555.db2.gz AFQSOONZZFUJRF-ZDUSSCGKSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000824520619 899655561 /nfs/dbraw/zinc/65/55/61/899655561.db2.gz AFQSOONZZFUJRF-ZDUSSCGKSA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824647657 899736462 /nfs/dbraw/zinc/73/64/62/899736462.db2.gz AWSNYYDUYHTFFT-LLVKDONJSA-N -1 3 392.854 3.732 20 0 GHADHM C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824647657 899736476 /nfs/dbraw/zinc/73/64/76/899736476.db2.gz AWSNYYDUYHTFFT-LLVKDONJSA-N -1 3 392.854 3.732 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000332548610 899756215 /nfs/dbraw/zinc/75/62/15/899756215.db2.gz OMFLEJQWMWWPAN-UHFFFAOYSA-N -1 3 377.847 3.779 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)[C@@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186241919 914380540 /nfs/dbraw/zinc/38/05/40/914380540.db2.gz XIQFXIGWGGKLNO-LLVKDONJSA-N -1 3 381.613 3.512 20 0 GHADHM Cn1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c(C(F)(F)F)n1 ZINC000134248185 899848068 /nfs/dbraw/zinc/84/80/68/899848068.db2.gz AIHNHLROVPERQI-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000120722768 899872453 /nfs/dbraw/zinc/87/24/53/899872453.db2.gz POXAYNFTCVNJNQ-UHFFFAOYSA-N -1 3 397.500 3.573 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824926381 899892637 /nfs/dbraw/zinc/89/26/37/899892637.db2.gz JWVARTXCUDYGJU-PHIMTYICSA-N -1 3 399.442 3.767 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824926381 899892642 /nfs/dbraw/zinc/89/26/42/899892642.db2.gz JWVARTXCUDYGJU-PHIMTYICSA-N -1 3 399.442 3.767 20 0 GHADHM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1[n-]cnc1C(F)(F)F ZINC000824970849 899919781 /nfs/dbraw/zinc/91/97/81/899919781.db2.gz XZIUOYIZEOSHPC-UHFFFAOYSA-N -1 3 390.818 3.887 20 0 GHADHM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1nc[n-]c1C(F)(F)F ZINC000824970849 899919786 /nfs/dbraw/zinc/91/97/86/899919786.db2.gz XZIUOYIZEOSHPC-UHFFFAOYSA-N -1 3 390.818 3.887 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1[O-] ZINC000825070774 899961764 /nfs/dbraw/zinc/96/17/64/899961764.db2.gz MELQUYLKDHZTKF-CXAGYDPISA-N -1 3 390.480 3.503 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1)C(F)(F)F 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3.666 20 0 GHADHM C[C@@](CC(=O)[O-])(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CCCCC1 ZINC000634921185 909085350 /nfs/dbraw/zinc/08/53/50/909085350.db2.gz AZSCXOJAVCHXBO-LEEZEASISA-N -1 3 398.547 3.781 20 0 GHADHM O=C(Nc1cccc(-c2cccnc2)n1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001178662662 909174165 /nfs/dbraw/zinc/17/41/65/909174165.db2.gz VEHBTWZWQXLNNB-UHFFFAOYSA-N -1 3 378.338 3.516 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)Nc3cncc([O-])c3)C2)CC1 ZINC001179235337 909432298 /nfs/dbraw/zinc/43/22/98/909432298.db2.gz XTZOBYDRWQWETF-AWEZNQCLSA-N -1 3 375.469 3.543 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)n1 ZINC000636115358 909438110 /nfs/dbraw/zinc/43/81/10/909438110.db2.gz YCHVEXZMHLDXPU-GFCCVEGCSA-N -1 3 378.476 3.762 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](n2ccnn2)CC1 ZINC000636189077 909483005 /nfs/dbraw/zinc/48/30/05/909483005.db2.gz IBXQWRLZBVVQDW-INIZCTEOSA-N -1 3 378.432 3.643 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)s1 ZINC000267441195 909500756 /nfs/dbraw/zinc/50/07/56/909500756.db2.gz CCTNDGBHVOUZOL-QMMMGPOBSA-N -1 3 381.342 3.623 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636318190 909535506 /nfs/dbraw/zinc/53/55/06/909535506.db2.gz PEGLNGZHGAKKDM-UHFFFAOYSA-N -1 3 381.476 3.682 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318255 909535727 /nfs/dbraw/zinc/53/57/27/909535727.db2.gz RRXXSTCECYSTSE-FHLIZLRMSA-N -1 3 375.513 3.543 20 0 GHADHM COc1ccc(-c2ncc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)s2)cc1 ZINC000636319127 909536232 /nfs/dbraw/zinc/53/62/32/909536232.db2.gz JLANHMMJGWDZHL-UHFFFAOYSA-N -1 3 396.472 3.512 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ncsc1Nc1ccccc1 ZINC000636320529 909541130 /nfs/dbraw/zinc/54/11/30/909541130.db2.gz GUGNOLVYIGIWLL-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM Cc1ccc(Cc2nc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cs2)cc1 ZINC000636320383 909541246 /nfs/dbraw/zinc/54/12/46/909541246.db2.gz LTLBFLWCBVLUGP-UHFFFAOYSA-N -1 3 394.500 3.735 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320291 909541996 /nfs/dbraw/zinc/54/19/96/909541996.db2.gz AINXHERXESEGKZ-SFHVURJKSA-N -1 3 389.883 3.823 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@]3(C)C3CCCCC3)c(=O)c2c(OC)c1 ZINC000636383769 909566375 /nfs/dbraw/zinc/56/63/75/909566375.db2.gz XHRNGFUQLUPJFN-JOCHJYFZSA-N -1 3 384.476 3.730 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@H](C)[C@H]3C)c2)c1 ZINC000267876042 909678928 /nfs/dbraw/zinc/67/89/28/909678928.db2.gz REXANQSTMMADDX-UONOGXRCSA-N -1 3 398.459 3.532 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)C(F)(F)C(F)(F)Cl)c1-c1ccccc1 ZINC001179775625 909701523 /nfs/dbraw/zinc/70/15/23/909701523.db2.gz QYBBFDSXNICVSN-UHFFFAOYSA-N -1 3 394.708 3.924 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc(OC(F)F)c1 ZINC001179948712 909822238 /nfs/dbraw/zinc/82/22/38/909822238.db2.gz HIGLEOXPTHUSEG-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccc(OC(F)F)c1 ZINC001179948712 909822256 /nfs/dbraw/zinc/82/22/56/909822256.db2.gz HIGLEOXPTHUSEG-UHFFFAOYSA-N -1 3 387.342 3.620 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001179981786 909849186 /nfs/dbraw/zinc/84/91/86/909849186.db2.gz OFYNBFSZGNGLAZ-UHFFFAOYSA-N -1 3 393.724 3.579 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001179981786 909849196 /nfs/dbraw/zinc/84/91/96/909849196.db2.gz OFYNBFSZGNGLAZ-UHFFFAOYSA-N -1 3 393.724 3.579 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CSc1ccc2ccccc2n1 ZINC001180036963 909907063 /nfs/dbraw/zinc/90/70/63/909907063.db2.gz ZPYFCQZRUIPFDN-UHFFFAOYSA-N -1 3 386.404 3.597 20 0 GHADHM CCCc1c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cnn1C1CCCC1 ZINC001180222169 910021912 /nfs/dbraw/zinc/02/19/12/910021912.db2.gz PXLQPMAZOGBBMT-WKILWMFISA-N -1 3 397.523 3.903 20 0 GHADHM O=S(=O)([N-]c1ccc(OCCCO)cc1)c1ccc(OC2CCCC2)cc1 ZINC000795376514 910096266 /nfs/dbraw/zinc/09/62/66/910096266.db2.gz ABPONIOBZWYPTF-UHFFFAOYSA-N -1 3 391.489 3.570 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901787243 921566168 /nfs/dbraw/zinc/56/61/68/921566168.db2.gz ONJIELBBJGLLEH-IBGZPJMESA-N -1 3 395.425 3.696 20 0 GHADHM CCOc1cc(CN2CCO[C@H](COc3ccccc3)C2)cc(Cl)c1[O-] ZINC001180859196 910399091 /nfs/dbraw/zinc/39/90/91/910399091.db2.gz WEAPVCCWEFJJBZ-KRWDZBQOSA-N -1 3 377.868 3.724 20 0 GHADHM CCSc1cccc(Br)c1[N-]C(=O)c1cc2ncccn2n1 ZINC001274508281 910427317 /nfs/dbraw/zinc/42/73/17/910427317.db2.gz GZEDZGMRFFIFDV-UHFFFAOYSA-N -1 3 377.267 3.856 20 0 GHADHM COc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc(OC)c1[O-] ZINC000270697903 910665168 /nfs/dbraw/zinc/66/51/68/910665168.db2.gz DUTRAMLBIQLFRZ-KPZWWZAWSA-N -1 3 391.851 3.665 20 0 GHADHM CCN(CC1CC1)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000270756597 910690700 /nfs/dbraw/zinc/69/07/00/910690700.db2.gz WASYIVLBZUQOHX-UHFFFAOYSA-N -1 3 398.459 3.534 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000270794268 910702530 /nfs/dbraw/zinc/70/25/30/910702530.db2.gz DZUIKEMXUDBSLF-OAHLLOKOSA-N -1 3 376.250 3.589 20 0 GHADHM COc1ccccc1COC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000271225017 910824441 /nfs/dbraw/zinc/82/44/41/910824441.db2.gz AKOKUQXFZANGJA-UHFFFAOYSA-N -1 3 392.455 3.770 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001181635447 910863540 /nfs/dbraw/zinc/86/35/40/910863540.db2.gz ZJLKBOMTJIBEBD-ZFWWWQNUSA-N -1 3 394.443 3.519 20 0 GHADHM Cc1ccc(C[C@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000640292548 910954832 /nfs/dbraw/zinc/95/48/32/910954832.db2.gz LKIOJIGOLUHDGY-QMMMGPOBSA-N -1 3 380.823 3.643 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2Br)C2CC2)o1 ZINC000640307751 910961388 /nfs/dbraw/zinc/96/13/88/910961388.db2.gz HVRBMYSXDANNLY-GWCFXTLKSA-N -1 3 393.285 3.517 20 0 GHADHM C[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Sc1ccc(Cl)cc1 ZINC001181771789 910973394 /nfs/dbraw/zinc/97/33/94/910973394.db2.gz SZBUFSOOJRCLGG-GFCCVEGCSA-N -1 3 387.896 3.707 20 0 GHADHM C[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Sc1ccc(Cl)cc1 ZINC001181771789 910973410 /nfs/dbraw/zinc/97/34/10/910973410.db2.gz SZBUFSOOJRCLGG-GFCCVEGCSA-N -1 3 387.896 3.707 20 0 GHADHM O=c1nc(CN2CCC(O)(C(F)(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000299721470 921622195 /nfs/dbraw/zinc/62/21/95/921622195.db2.gz SKJTZMPWGHEVNQ-UHFFFAOYSA-N -1 3 399.394 3.546 20 0 GHADHM COc1cccc(-c2nc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)no2)c1[O-] ZINC000273957933 911139117 /nfs/dbraw/zinc/13/91/17/911139117.db2.gz VQCAKRLNUREKEH-LBPRGKRZSA-N -1 3 375.425 3.565 20 0 GHADHM COc1ccc([C@@H](NCc2sc3nc(C)nc(C)c3c2C)C(=O)[O-])cc1F ZINC000901862084 921651609 /nfs/dbraw/zinc/65/16/09/921651609.db2.gz RFGWOVOPIMMEHN-QGZVFWFLSA-N -1 3 389.452 3.680 20 0 GHADHM CSc1[n-]nc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)c1C(N)=O ZINC001182249235 911344429 /nfs/dbraw/zinc/34/44/29/911344429.db2.gz RIHMAHLRVCMTLA-NSHDSACASA-N -1 3 398.463 3.779 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](c2ccc(Br)cc2)C(C)C)[n-]n1 ZINC001182273470 911383198 /nfs/dbraw/zinc/38/31/98/911383198.db2.gz WXQNAKYOINXDJA-HNNXBMFYSA-N -1 3 394.269 3.727 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](c2ccc(Br)cc2)C(C)C)n[n-]1 ZINC001182273470 911383209 /nfs/dbraw/zinc/38/32/09/911383209.db2.gz WXQNAKYOINXDJA-HNNXBMFYSA-N -1 3 394.269 3.727 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(CO)cc3)cc2)cc1 ZINC000641940207 911615634 /nfs/dbraw/zinc/61/56/34/911615634.db2.gz KGCYIQVGOCRRJM-UHFFFAOYSA-N -1 3 396.468 3.540 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CC(C)(C)c1ccc(OC)cc1 ZINC001182439446 911647363 /nfs/dbraw/zinc/64/73/63/911647363.db2.gz AACCMPDTLTUHHH-UHFFFAOYSA-N -1 3 375.396 3.633 20 0 GHADHM C[C@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)[O-])s1 ZINC000901912117 921728258 /nfs/dbraw/zinc/72/82/58/921728258.db2.gz OEJCCRJFSNLBEP-LBPRGKRZSA-N -1 3 379.913 3.810 20 0 GHADHM O=C([O-])[C@@]1(F)CN(Cc2ccc(-n3cnc4ccccc43)cc2)CC12CCC2 ZINC000901914308 921729521 /nfs/dbraw/zinc/72/95/21/921729521.db2.gz HIFPVVPLPAWUDO-QFIPXVFZSA-N -1 3 379.435 3.804 20 0 GHADHM O=C(Nc1ccccc1-c1ccc(Cl)cn1)c1ccccc1-c1nnn[n-]1 ZINC001187007078 914938615 /nfs/dbraw/zinc/93/86/15/914938615.db2.gz QAYWUTSOPUMNBK-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccccc1-c1ccc(Cl)cn1)c1ccccc1-c1nn[n-]n1 ZINC001187007078 914938629 /nfs/dbraw/zinc/93/86/29/914938629.db2.gz QAYWUTSOPUMNBK-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1ccccc1-c1nnn[n-]1 ZINC001186992482 914961790 /nfs/dbraw/zinc/96/17/90/914961790.db2.gz WJZFPPYQXHTIHG-UHFFFAOYSA-N -1 3 385.431 3.708 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1ccccc1-c1nn[n-]n1 ZINC001186992482 914961801 /nfs/dbraw/zinc/96/18/01/914961801.db2.gz WJZFPPYQXHTIHG-UHFFFAOYSA-N -1 3 385.431 3.708 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)C1CCOCC1 ZINC000647130222 915045279 /nfs/dbraw/zinc/04/52/79/915045279.db2.gz IEMAIOZPWFOBCB-GOSISDBHSA-N -1 3 397.924 3.985 20 0 GHADHM CCOCCS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2C)ccc1Cl ZINC001187286055 915153362 /nfs/dbraw/zinc/15/33/62/915153362.db2.gz DNVGWYTWILCHIO-UHFFFAOYSA-N -1 3 396.896 3.679 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)Cc1ccno1)c1ccccc1Cl ZINC001187361660 915195094 /nfs/dbraw/zinc/19/50/94/915195094.db2.gz BCOGDHFJACEQBZ-SFHVURJKSA-N -1 3 392.864 3.546 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(S[C@@H](C)CC)cc2)no1 ZINC000647417474 915221450 /nfs/dbraw/zinc/22/14/50/915221450.db2.gz ZXYZSAMXUBQADS-ZDUSSCGKSA-N -1 3 383.539 3.847 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(F)c1 ZINC001187465959 915277998 /nfs/dbraw/zinc/27/79/98/915277998.db2.gz GBRMHKOHBJJCKO-UHFFFAOYSA-N -1 3 393.436 3.781 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1nn[n-]c1C(F)(F)F ZINC001187774841 915487069 /nfs/dbraw/zinc/48/70/69/915487069.db2.gz YRMBERLBWMHFQO-UHFFFAOYSA-N -1 3 388.340 3.744 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1[n-]nnc1C(F)(F)F ZINC001187774841 915487091 /nfs/dbraw/zinc/48/70/91/915487091.db2.gz YRMBERLBWMHFQO-UHFFFAOYSA-N -1 3 388.340 3.744 20 0 GHADHM CC(C)(CNC(=O)c1nn[n-]c1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC001187774882 915487555 /nfs/dbraw/zinc/48/75/55/915487555.db2.gz ZJFFZGPWMWSMCZ-UHFFFAOYSA-N -1 3 394.319 3.841 20 0 GHADHM CC(C)(CNC(=O)c1[n-]nnc1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC001187774882 915487565 /nfs/dbraw/zinc/48/75/65/915487565.db2.gz ZJFFZGPWMWSMCZ-UHFFFAOYSA-N -1 3 394.319 3.841 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1[n-]nnc1C(F)(F)F ZINC001187766547 915512481 /nfs/dbraw/zinc/51/24/81/915512481.db2.gz WRJKFMKDYRIYCX-UHFFFAOYSA-N -1 3 397.744 3.703 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1nn[n-]c1C(F)(F)F ZINC001187766547 915512494 /nfs/dbraw/zinc/51/24/94/915512494.db2.gz WRJKFMKDYRIYCX-UHFFFAOYSA-N -1 3 397.744 3.703 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccccn2)cc1)c1ccc(Cl)nc1Cl ZINC001187982119 915663500 /nfs/dbraw/zinc/66/35/00/915663500.db2.gz UFRSCKAOTSWVLQ-UHFFFAOYSA-N -1 3 394.283 3.929 20 0 GHADHM O=C([O-])C[C@H]1CSCCN1Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000901982890 921788814 /nfs/dbraw/zinc/78/88/14/921788814.db2.gz JSNICQBJHOTLBJ-KRWDZBQOSA-N -1 3 393.455 3.936 20 0 GHADHM COc1cccc(CC(C)(C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188097701 915754668 /nfs/dbraw/zinc/75/46/68/915754668.db2.gz PHWYVZOAOPSQAB-UHFFFAOYSA-N -1 3 389.304 3.697 20 0 GHADHM O=C([N-]c1ncnc2c1cnn2-c1ccccc1)c1ncsc1C(F)(F)F ZINC001188207080 915829004 /nfs/dbraw/zinc/82/90/04/915829004.db2.gz MLQKTOUKQVALEO-UHFFFAOYSA-N -1 3 390.350 3.543 20 0 GHADHM Cn1c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])ccc1C(F)(F)F ZINC001188368465 915910856 /nfs/dbraw/zinc/91/08/56/915910856.db2.gz KDWREQAHQFSVJZ-UHFFFAOYSA-N -1 3 384.354 3.957 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1c2ncsc2ccc1Cl ZINC001188399314 915951156 /nfs/dbraw/zinc/95/11/56/915951156.db2.gz MSNHFASKCUUROP-UHFFFAOYSA-N -1 3 391.905 3.952 20 0 GHADHM CC(C)(C)SCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001188468239 915991896 /nfs/dbraw/zinc/99/18/96/915991896.db2.gz AYRFLMWHMLECCI-UHFFFAOYSA-N -1 3 386.764 3.913 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000649066261 916011281 /nfs/dbraw/zinc/01/12/81/916011281.db2.gz FTKXWKLPRSTCSP-GDBMZVCRSA-N -1 3 382.508 3.840 20 0 GHADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C[C@@H]1OC ZINC001188499379 916016496 /nfs/dbraw/zinc/01/64/96/916016496.db2.gz XVIFZCMAMZZLDU-QWRGUYRKSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC001188507566 916021890 /nfs/dbraw/zinc/02/18/90/916021890.db2.gz KYYZTYOKQGJQRL-CQSZACIVSA-N -1 3 383.313 3.994 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cc(F)c(F)c(F)c1F ZINC001188676839 916103169 /nfs/dbraw/zinc/10/31/69/916103169.db2.gz QGQDDIDTHAMSJC-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC001188886493 916276103 /nfs/dbraw/zinc/27/61/03/916276103.db2.gz SBVSTCWSIJXOHQ-UHFFFAOYSA-N -1 3 383.429 3.633 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC001189044526 916364697 /nfs/dbraw/zinc/36/46/97/916364697.db2.gz SZMBSIYQFVBHIL-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC001189044526 916364714 /nfs/dbraw/zinc/36/47/14/916364714.db2.gz SZMBSIYQFVBHIL-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@@H]1CF ZINC000293973505 916506787 /nfs/dbraw/zinc/50/67/87/916506787.db2.gz FYYMNNZUIKNEOP-CQSZACIVSA-N -1 3 394.443 3.509 20 0 GHADHM CO[C@H](C)c1nc(CN2CCCN(Cc3c(F)ccc([O-])c3F)CC2)cs1 ZINC000294250752 916681405 /nfs/dbraw/zinc/68/14/05/916681405.db2.gz NIWYCCOVMVSTHP-CYBMUJFWSA-N -1 3 397.491 3.542 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cnc1Cl ZINC001189501781 916682694 /nfs/dbraw/zinc/68/26/94/916682694.db2.gz XBACMUWOQWYZQK-UHFFFAOYSA-N -1 3 380.775 3.704 20 0 GHADHM CO[C@@H](C)c1nc(CN2CCCN(Cc3cccc([O-])c3Cl)CC2)cs1 ZINC000294336160 916746655 /nfs/dbraw/zinc/74/66/55/916746655.db2.gz RVTMPWOIYNZRTF-AWEZNQCLSA-N -1 3 395.956 3.917 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc(Cl)c1OC ZINC000650217638 916809570 /nfs/dbraw/zinc/80/95/70/916809570.db2.gz OUSJPQYXFSNARY-UHFFFAOYSA-N -1 3 388.873 3.585 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(Cl)cc2)sc1Cl ZINC001189655529 916816715 /nfs/dbraw/zinc/81/67/15/916816715.db2.gz IAYNLRGPHIMNQF-CYBMUJFWSA-N -1 3 393.361 3.945 20 0 GHADHM CC(C)(C)c1nc2ccc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cn2n1 ZINC001189754924 916881256 /nfs/dbraw/zinc/88/12/56/916881256.db2.gz GDMYQNPLPJWAEZ-UHFFFAOYSA-N -1 3 394.353 3.883 20 0 GHADHM CCCCC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189766107 916901478 /nfs/dbraw/zinc/90/14/78/916901478.db2.gz TVSLPJJUUXQXBD-VIFPVBQESA-N -1 3 382.707 3.529 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1cc(Br)ccc1Cl ZINC001189765903 916901519 /nfs/dbraw/zinc/90/15/19/916901519.db2.gz RJUGZYZWSDHCFC-OCCSQVGLSA-N -1 3 386.698 3.937 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)nc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189767050 916904222 /nfs/dbraw/zinc/90/42/22/916904222.db2.gz ZZHIFNRFKBNGPM-UHFFFAOYSA-N -1 3 394.271 3.677 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ncc(C(F)(F)F)cc1Cl ZINC001189773203 916908620 /nfs/dbraw/zinc/90/86/20/916908620.db2.gz FKVNXHXTEKUHKL-UHFFFAOYSA-N -1 3 386.729 3.974 20 0 GHADHM CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCCC(=O)[O-] ZINC000294740743 916955868 /nfs/dbraw/zinc/95/58/68/916955868.db2.gz JUDLVYALFPJTAS-MOPGFXCFSA-N -1 3 376.497 3.753 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccco1 ZINC000362114903 917084513 /nfs/dbraw/zinc/08/45/13/917084513.db2.gz AYNKMIXRLUWTDV-LJQANCHMSA-N -1 3 383.400 3.530 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c(Cl)c2)ccc1F ZINC001190108776 917101184 /nfs/dbraw/zinc/10/11/84/917101184.db2.gz WEHQISXLNRPEFW-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccnc(C(F)(F)F)c1 ZINC001190475048 917367203 /nfs/dbraw/zinc/36/72/03/917367203.db2.gz QNUCNCPSZUCFFI-UHFFFAOYSA-N -1 3 388.342 3.773 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000651151133 917470377 /nfs/dbraw/zinc/47/03/77/917470377.db2.gz QUMYOIXBSMNWPT-LBPRGKRZSA-N -1 3 396.896 3.852 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ncc(Cl)cc1C(F)(F)F ZINC001190705849 917494690 /nfs/dbraw/zinc/49/46/90/917494690.db2.gz XQLSQBDCCFABAX-UHFFFAOYSA-N -1 3 396.550 3.869 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H]1c1ccccc1)c1cccc(Br)n1 ZINC001190687915 917513924 /nfs/dbraw/zinc/51/39/24/917513924.db2.gz PJXBJJCXWIAJMC-CABCVRRESA-N -1 3 395.322 3.706 20 0 GHADHM CC(C)(C)C1CC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC001190750878 917546309 /nfs/dbraw/zinc/54/63/09/917546309.db2.gz PMYJMYJIGWTRFT-UHFFFAOYSA-N -1 3 381.723 3.601 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)c(Br)cc1F)c1ccncc1 ZINC001190893579 917636051 /nfs/dbraw/zinc/63/60/51/917636051.db2.gz LPTOMQCANCMKOQ-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccncc1 ZINC001190915765 917661566 /nfs/dbraw/zinc/66/15/66/917661566.db2.gz CFGMZPNUVRBSJO-LBPRGKRZSA-N -1 3 384.301 3.682 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)cc1 ZINC001191006078 917701584 /nfs/dbraw/zinc/70/15/84/917701584.db2.gz WFGYZIJQPIZEQM-UHFFFAOYSA-N -1 3 398.406 3.501 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000652459978 917904081 /nfs/dbraw/zinc/90/40/81/917904081.db2.gz XXRLYAXLVIDUNL-OAHLLOKOSA-N -1 3 384.259 3.563 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001191339925 917914656 /nfs/dbraw/zinc/91/46/56/917914656.db2.gz HRSNSFNWNLYJTF-NWDGAFQWSA-N -1 3 378.357 3.924 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccs1)C1(CO)CCC1)c1ccc(Cl)cc1F ZINC001191403806 917959131 /nfs/dbraw/zinc/95/91/31/917959131.db2.gz AJPBSWQCBZVCSC-HNNXBMFYSA-N -1 3 389.901 3.723 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000652767847 918009319 /nfs/dbraw/zinc/00/93/19/918009319.db2.gz OSGFTNUHNMXHBS-UHFFFAOYSA-N -1 3 392.434 3.559 20 0 GHADHM COc1ccc(C[C@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000652851318 918032817 /nfs/dbraw/zinc/03/28/17/918032817.db2.gz XRQYGHGGIBSFBL-QGZVFWFLSA-N -1 3 376.456 3.774 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2nc(C)oc2Br)sc2c1CCC2 ZINC001191620347 918080337 /nfs/dbraw/zinc/08/03/37/918080337.db2.gz KLWWTCBTEKQFFK-UHFFFAOYSA-N -1 3 399.266 3.725 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC3CCC2CC3)cc1Cl ZINC001191691678 918158144 /nfs/dbraw/zinc/15/81/44/918158144.db2.gz FQFOERBJKGUNJQ-BPCQOVAHSA-N -1 3 388.892 3.542 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N-]C(=O)c1ncon1 ZINC001192025286 918363691 /nfs/dbraw/zinc/36/36/91/918363691.db2.gz RDKIZAKCTNJKGN-UHFFFAOYSA-N -1 3 386.795 3.545 20 0 GHADHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000796604122 918786074 /nfs/dbraw/zinc/78/60/74/918786074.db2.gz CYLWXPGNHPAXOT-QKKBWIMNSA-N -1 3 392.459 3.710 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000115646936 919461356 /nfs/dbraw/zinc/46/13/56/919461356.db2.gz VHIYNSGVOFFEBP-JTQLQIEISA-N -1 3 393.321 3.873 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000115646936 919461362 /nfs/dbraw/zinc/46/13/62/919461362.db2.gz VHIYNSGVOFFEBP-JTQLQIEISA-N -1 3 393.321 3.873 20 0 GHADHM Cn1nc2c(c1CN[C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1)CCC2 ZINC000900029503 919763767 /nfs/dbraw/zinc/76/37/67/919763767.db2.gz QMVWFFZVNLFKRC-HNNXBMFYSA-N -1 3 382.291 3.911 20 0 GHADHM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NCc1cccc(Cl)c1F ZINC000900057646 919782701 /nfs/dbraw/zinc/78/27/01/919782701.db2.gz NISUWLYMVBEUMJ-INIZCTEOSA-N -1 3 379.815 3.546 20 0 GHADHM CO[C@H](C)[C@H](NCc1cc(F)ccc1Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000900059542 919784708 /nfs/dbraw/zinc/78/47/08/919784708.db2.gz OHOBEEGYVCFKIQ-QGHHPUGFSA-N -1 3 385.794 3.988 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000800262649 919803524 /nfs/dbraw/zinc/80/35/24/919803524.db2.gz NJDLHRVAUJGAPC-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000800262649 919803537 /nfs/dbraw/zinc/80/35/37/919803537.db2.gz NJDLHRVAUJGAPC-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000800262649 919803549 /nfs/dbraw/zinc/80/35/49/919803549.db2.gz NJDLHRVAUJGAPC-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000298293294 920375225 /nfs/dbraw/zinc/37/52/25/920375225.db2.gz FAUBXHVOLTYLCE-UHFFFAOYSA-N -1 3 390.505 3.661 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(CCc2ccccc2F)C2CCCC2)c(=O)[n-]1 ZINC000298354125 920440210 /nfs/dbraw/zinc/44/02/10/920440210.db2.gz MCRGFZALHHBUNS-UHFFFAOYSA-N -1 3 385.483 3.885 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nc(C)cs1 ZINC000800910014 920590873 /nfs/dbraw/zinc/59/08/73/920590873.db2.gz HAEZSUZCVWFEAN-CYBMUJFWSA-N -1 3 384.910 3.663 20 0 GHADHM O=C(Nc1cc(Br)ccc1NC1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000900912107 920710141 /nfs/dbraw/zinc/71/01/41/920710141.db2.gz HQHUBUNQNMFHNT-UHFFFAOYSA-N -1 3 389.253 3.649 20 0 GHADHM CC[C@H](C)NC(=O)c1cccc(CNCc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC000902110788 921884115 /nfs/dbraw/zinc/88/41/15/921884115.db2.gz FIZNCAWTMWDQDI-HNNXBMFYSA-N -1 3 391.471 3.751 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(Cc2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000902144124 921915888 /nfs/dbraw/zinc/91/58/88/921915888.db2.gz VJCDAOVOZOGIFE-LJQANCHMSA-N -1 3 399.487 3.819 20 0 GHADHM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)C[C@H](O)COCc1ccccc1 ZINC000902175706 921953911 /nfs/dbraw/zinc/95/39/11/921953911.db2.gz UFJJORYFVGCJHW-SFHVURJKSA-N -1 3 395.455 3.654 20 0 GHADHM CC(C)CCOC1CCN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)CC1 ZINC000902193609 921972426 /nfs/dbraw/zinc/97/24/26/921972426.db2.gz VRJJRKQFUXREPJ-UHFFFAOYSA-N -1 3 385.508 3.662 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)n1 ZINC000902353312 922114733 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0 GHADHM Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ncccc1[O-] ZINC000470125187 930390734 /nfs/dbraw/zinc/39/07/34/930390734.db2.gz LBPHFBNHMDKGJL-UHFFFAOYSA-N -1 3 391.353 3.528 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000759681425 930450312 /nfs/dbraw/zinc/45/03/12/930450312.db2.gz YSZAGBBHWLNFNE-KUGGDMIFSA-N -1 3 379.865 3.920 20 0 GHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000780705213 930580931 /nfs/dbraw/zinc/58/09/31/930580931.db2.gz ACELIODVTGYQSU-UHFFFAOYSA-N -1 3 376.375 3.707 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc(C(F)F)c1 ZINC000780814769 930604883 /nfs/dbraw/zinc/60/48/83/930604883.db2.gz PGXVTAUJVWKRFF-UHFFFAOYSA-N -1 3 392.221 3.571 20 0 GHADHM COc1ccc(C(=O)[N-]c2nc(-c3ccccc3)ns2)nc1Br ZINC000781619181 930908075 /nfs/dbraw/zinc/90/80/75/930908075.db2.gz PFDWFTHGCXXXGL-UHFFFAOYSA-N -1 3 391.250 3.624 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCSCCCc2ccccc2)cc1 ZINC000781656358 930927829 /nfs/dbraw/zinc/92/78/29/930927829.db2.gz JXDRHADKBGNSKL-UHFFFAOYSA-N -1 3 393.530 3.581 20 0 GHADHM COc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)nc1Br ZINC000781763991 930968012 /nfs/dbraw/zinc/96/80/12/930968012.db2.gz AYROBUYHZZEVPW-UHFFFAOYSA-N -1 3 385.164 3.586 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2)o1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782249039 931139375 /nfs/dbraw/zinc/13/93/75/931139375.db2.gz HLJKLLYMULEWKO-UHFFFAOYSA-N -1 3 391.383 3.773 20 0 GHADHM O=C(COc1ccc(Cl)c(Cl)c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782706847 931308752 /nfs/dbraw/zinc/30/87/52/931308752.db2.gz ZLCZFIMXSVUMIF-UHFFFAOYSA-N -1 3 395.198 3.871 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1cc2ccccc2s1 ZINC000557275781 931315668 /nfs/dbraw/zinc/31/56/68/931315668.db2.gz HQDFWKGKQSOSNR-UHFFFAOYSA-N -1 3 378.457 3.696 20 0 GHADHM COc1cccc(OC(F)(F)F)c1CNC(=O)c1cc([O-])ccc1Cl ZINC000557399088 931401653 /nfs/dbraw/zinc/40/16/53/931401653.db2.gz GRZMKEFLVSVTRG-UHFFFAOYSA-N -1 3 375.730 3.883 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC3(CCCC3)C2)ccc1F ZINC000783853118 931691590 /nfs/dbraw/zinc/69/15/90/931691590.db2.gz ORLSWKMSTASTGK-UHFFFAOYSA-N -1 3 396.528 3.699 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1c(F)cccc1OC(F)(F)F ZINC000557814521 931701325 /nfs/dbraw/zinc/70/13/25/931701325.db2.gz MFWFLDITGFYWEC-CYBMUJFWSA-N -1 3 393.333 3.829 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1Br ZINC000784380647 931875756 /nfs/dbraw/zinc/87/57/56/931875756.db2.gz HUINCIZFROSSPA-UHFFFAOYSA-N -1 3 389.205 3.870 20 0 GHADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000558394476 931976361 /nfs/dbraw/zinc/97/63/61/931976361.db2.gz GHUPLERQQHIUHA-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM CS[C@@H](C)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000797204016 932222206 /nfs/dbraw/zinc/22/22/06/932222206.db2.gz KNTVPMUVOLBDDR-OLZOCXBDSA-N -1 3 397.493 3.923 20 0 GHADHM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000626317054 932547948 /nfs/dbraw/zinc/54/79/48/932547948.db2.gz FZYDCFGPHINVGH-DRDHIDPGSA-N -1 3 395.525 3.667 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1ccc(Cl)cc1Br ZINC000798427303 932643035 /nfs/dbraw/zinc/64/30/35/932643035.db2.gz SXSUPHWFSFEEAU-ZCFIWIBFSA-N -1 3 393.517 3.575 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799021362 932853111 /nfs/dbraw/zinc/85/31/11/932853111.db2.gz WZNZSKYOLVKUQF-UHFFFAOYSA-N -1 3 398.469 3.735 20 0 GHADHM CC(C)C[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799023176 932854116 /nfs/dbraw/zinc/85/41/16/932854116.db2.gz XNHIOAXDICJBDD-QGZVFWFLSA-N -1 3 384.442 3.733 20 0 GHADHM CC1(C)C[C@H](OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c2ccccc2O1 ZINC000799713473 933098151 /nfs/dbraw/zinc/09/81/51/933098151.db2.gz SEWQIPHPHGOMJC-KRWDZBQOSA-N -1 3 393.436 3.656 20 0 GHADHM CC(C)(C)c1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000928977928 933188599 /nfs/dbraw/zinc/18/85/99/933188599.db2.gz NMFCBASUZNTWLU-UHFFFAOYSA-N -1 3 391.514 3.638 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCC2)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000560445820 933263309 /nfs/dbraw/zinc/26/33/09/933263309.db2.gz JAVOUCBGNDYZLC-UHFFFAOYSA-N -1 3 393.487 3.697 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001116241050 933429983 /nfs/dbraw/zinc/42/99/83/933429983.db2.gz NDHKMCBCEKBUQQ-CQSZACIVSA-N -1 3 392.496 3.570 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]([C@@H]4CCOC4)C3)cc2)cc(=O)[n-]1 ZINC000929763015 933620351 /nfs/dbraw/zinc/62/03/51/933620351.db2.gz LDMHWKCEYBNCKU-QZTJIDSGSA-N -1 3 396.491 3.828 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)[n-]n1 ZINC000777835709 933667907 /nfs/dbraw/zinc/66/79/07/933667907.db2.gz CMEWMCRNBYLACR-UHFFFAOYSA-N -1 3 389.333 3.923 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)n[n-]1 ZINC000777835709 933667911 /nfs/dbraw/zinc/66/79/11/933667911.db2.gz CMEWMCRNBYLACR-UHFFFAOYSA-N -1 3 389.333 3.923 20 0 GHADHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000561071003 933835985 /nfs/dbraw/zinc/83/59/85/933835985.db2.gz RQXVULFFRWEUMS-UHFFFAOYSA-N -1 3 393.418 3.527 20 0 GHADHM C[C@@H]1CCc2sc(-c3nnc([C@@H]([N-]S(C)(=O)=O)C(C)(C)C)o3)cc2C1 ZINC001117217614 933892820 /nfs/dbraw/zinc/89/28/20/933892820.db2.gz NNCVARFRTJINKA-QMTHXVAHSA-N -1 3 383.539 3.559 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC001117777192 934019306 /nfs/dbraw/zinc/01/93/06/934019306.db2.gz XXGXKRKLDMQFRR-UHFFFAOYSA-N -1 3 399.285 3.801 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1C(F)(F)F ZINC000561469683 934194039 /nfs/dbraw/zinc/19/40/39/934194039.db2.gz NVDZGYMLXLFJRJ-VHSXEESVSA-N -1 3 390.349 3.747 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cncn3CC)nc(=O)c2c1C ZINC001119597028 934371062 /nfs/dbraw/zinc/37/10/62/934371062.db2.gz DVHSTKMWQZMXJB-IZZDOVSWSA-N -1 3 392.868 3.835 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@H](C)C3)n2)cc1 ZINC000561746723 934416156 /nfs/dbraw/zinc/41/61/56/934416156.db2.gz MRQOHVMKWORNSF-ABSDTBQOSA-N -1 3 396.535 3.504 20 0 GHADHM CCOc1ccc(-c2nc(CN3Cc4nc(C)[n-]c(=O)c4C3)cs2)cc1OC ZINC000931320919 934502444 /nfs/dbraw/zinc/50/24/44/934502444.db2.gz MOMUCGNCTSOUFQ-UHFFFAOYSA-N -1 3 398.488 3.537 20 0 GHADHM COc1cc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)ccc1OCC(C)C ZINC000562296437 934811080 /nfs/dbraw/zinc/81/10/80/934811080.db2.gz JQGICXSOAXZXDG-HNNXBMFYSA-N -1 3 382.464 3.682 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000932137147 934831867 /nfs/dbraw/zinc/83/18/67/934831867.db2.gz MLTGCTSNAFESFR-OAHLLOKOSA-N -1 3 382.410 3.901 20 0 GHADHM O=C([N-]c1nnc2ccc(Br)cn21)c1oc(C2CC2)nc1C(F)F ZINC001123730858 935270609 /nfs/dbraw/zinc/27/06/09/935270609.db2.gz BPUWZFJKSHLGRI-UHFFFAOYSA-N -1 3 398.167 3.547 20 0 GHADHM Cc1cc(Cl)ccc1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001124248258 935363296 /nfs/dbraw/zinc/36/32/96/935363296.db2.gz PGSUFTKODKBWNW-UHFFFAOYSA-N -1 3 385.844 3.693 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1(CCCOCc2ccccc2)CC1 ZINC000828210288 935593526 /nfs/dbraw/zinc/59/35/26/935593526.db2.gz PAGZUKZGVZPHKP-UHFFFAOYSA-N -1 3 395.503 3.843 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001137607397 935622482 /nfs/dbraw/zinc/62/24/82/935622482.db2.gz GUVPFRGBUNNUKW-MRXNPFEDSA-N -1 3 375.428 3.588 20 0 GHADHM O=C(OCCC[C@H]1CCOC1)c1n[n-]c(-c2ccccc2)c1Br ZINC000828943131 935744242 /nfs/dbraw/zinc/74/42/42/935744242.db2.gz MAWFPPCJHIHIOU-LBPRGKRZSA-N -1 3 379.254 3.813 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)c1 ZINC001138004385 935921707 /nfs/dbraw/zinc/92/17/07/935921707.db2.gz IFTVNGIAJWNCLE-SNVBAGLBSA-N -1 3 394.349 3.748 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000908885205 939345260 /nfs/dbraw/zinc/34/52/60/939345260.db2.gz TUKZRCKQTSPNHV-AHRSYUTCSA-N -1 3 387.524 3.545 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CSc3ccccc32)c1 ZINC001573279374 946639390 /nfs/dbraw/zinc/63/93/90/946639390.db2.gz GSUXPBAMBPIFBI-SNVBAGLBSA-N -1 3 388.294 3.931 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CSc3ccccc32)c1 ZINC001573279374 946639397 /nfs/dbraw/zinc/63/93/97/946639397.db2.gz GSUXPBAMBPIFBI-SNVBAGLBSA-N -1 3 388.294 3.931 20 0 GHADHM C[C@@H](C(=O)NCCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC001573718384 948517057 /nfs/dbraw/zinc/51/70/57/948517057.db2.gz RFENIMXQUNJRBT-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM C[C@@H](C(=O)NCCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC001573718384 948517062 /nfs/dbraw/zinc/51/70/62/948517062.db2.gz RFENIMXQUNJRBT-LLVKDONJSA-N -1 3 390.274 3.636 20 0 GHADHM CC(C)c1ccc2c(c1)CN(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001574416790 948762639 /nfs/dbraw/zinc/76/26/39/948762639.db2.gz IFWWJCLRGDJYQU-UHFFFAOYSA-N -1 3 393.516 3.667 20 0 GHADHM CC(C)c1ccc2c(c1)CN(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001574416790 948762651 /nfs/dbraw/zinc/76/26/51/948762651.db2.gz IFWWJCLRGDJYQU-UHFFFAOYSA-N -1 3 393.516 3.667 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC001574083237 948882059 /nfs/dbraw/zinc/88/20/59/948882059.db2.gz QULVGZCKZGBZJL-BQFCYCMXSA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC001574083237 948882077 /nfs/dbraw/zinc/88/20/77/948882077.db2.gz QULVGZCKZGBZJL-BQFCYCMXSA-N -1 3 385.512 3.601 20 0 GHADHM CC(C)c1nnc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1CC1(C(C)C)CC1 ZINC001574435264 948991471 /nfs/dbraw/zinc/99/14/71/948991471.db2.gz RHFACUPMVDKADJ-UHFFFAOYSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)c1nnc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1CC1(C(C)C)CC1 ZINC001574435264 948991482 /nfs/dbraw/zinc/99/14/82/948991482.db2.gz RHFACUPMVDKADJ-UHFFFAOYSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001574694760 949092894 /nfs/dbraw/zinc/09/28/94/949092894.db2.gz VXQKXGKHPWGIIW-CQSZACIVSA-N -1 3 397.454 3.544 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001574694760 949092916 /nfs/dbraw/zinc/09/29/16/949092916.db2.gz VXQKXGKHPWGIIW-CQSZACIVSA-N -1 3 397.454 3.544 20 0 GHADHM CC(C)(C(=O)NCCc1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781633 949113293 /nfs/dbraw/zinc/11/32/93/949113293.db2.gz LMCIXPBPAPDMKQ-UHFFFAOYSA-N -1 3 391.500 3.718 20 0 GHADHM CC(C)(C(=O)NCCc1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781633 949113302 /nfs/dbraw/zinc/11/33/02/949113302.db2.gz LMCIXPBPAPDMKQ-UHFFFAOYSA-N -1 3 391.500 3.718 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575251870 949153655 /nfs/dbraw/zinc/15/36/55/949153655.db2.gz OUBRJUOEVJRYAI-JKSUJKDBSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575251870 949153649 /nfs/dbraw/zinc/15/36/49/949153649.db2.gz OUBRJUOEVJRYAI-JKSUJKDBSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC001575513823 949154649 /nfs/dbraw/zinc/15/46/49/949154649.db2.gz SYOIENYYCCGBAN-LLVKDONJSA-N -1 3 391.353 3.599 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC001575513823 949154665 /nfs/dbraw/zinc/15/46/65/949154665.db2.gz SYOIENYYCCGBAN-LLVKDONJSA-N -1 3 391.353 3.599 20 0 GHADHM CC(C)[C@H]1N(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC12CCCC2 ZINC001574098527 949162216 /nfs/dbraw/zinc/16/22/16/949162216.db2.gz CBYGVPWPTCVUJS-OAHLLOKOSA-N -1 3 376.411 3.577 20 0 GHADHM CC(C)[C@H]1N(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC12CCCC2 ZINC001574098527 949162236 /nfs/dbraw/zinc/16/22/36/949162236.db2.gz CBYGVPWPTCVUJS-OAHLLOKOSA-N -1 3 376.411 3.577 20 0 GHADHM CC(C)[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC001574099185 949170386 /nfs/dbraw/zinc/17/03/86/949170386.db2.gz JDYDFLZNAIAEFI-INIZCTEOSA-N -1 3 396.882 3.718 20 0 GHADHM CC(C)[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC001574099185 949170403 /nfs/dbraw/zinc/17/04/03/949170403.db2.gz JDYDFLZNAIAEFI-INIZCTEOSA-N -1 3 396.882 3.718 20 0 GHADHM CC(C)[C@@H]1N(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC12CCCCC2 ZINC001574099174 949171736 /nfs/dbraw/zinc/17/17/36/949171736.db2.gz ISNGGFSZQFWDRG-SFHVURJKSA-N -1 3 397.498 3.855 20 0 GHADHM CC(C)[C@@H]1N(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC12CCCCC2 ZINC001574099174 949171750 /nfs/dbraw/zinc/17/17/50/949171750.db2.gz ISNGGFSZQFWDRG-SFHVURJKSA-N -1 3 397.498 3.855 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001574099199 949174906 /nfs/dbraw/zinc/17/49/06/949174906.db2.gz JJVBIACAYNXCTD-SFHVURJKSA-N -1 3 375.476 3.931 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001574099199 949174921 /nfs/dbraw/zinc/17/49/21/949174921.db2.gz JJVBIACAYNXCTD-SFHVURJKSA-N -1 3 375.476 3.931 20 0 GHADHM CC(C)(C(=O)Oc1ccc(OC2CCC2)cc1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788184 949197170 /nfs/dbraw/zinc/19/71/70/949197170.db2.gz HYPATOKRDQALJE-UHFFFAOYSA-N -1 3 396.422 3.820 20 0 GHADHM CC(C)(C(=O)Oc1ccc(OC2CCC2)cc1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788184 949197180 /nfs/dbraw/zinc/19/71/80/949197180.db2.gz HYPATOKRDQALJE-UHFFFAOYSA-N -1 3 396.422 3.820 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nnn[n-]2)C1 ZINC001574100698 949199177 /nfs/dbraw/zinc/19/91/77/949199177.db2.gz XMBJZDGIAJPVEV-ZDUSSCGKSA-N -1 3 385.493 3.853 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2-c2nn[n-]n2)C1 ZINC001574100698 949199193 /nfs/dbraw/zinc/19/91/93/949199193.db2.gz XMBJZDGIAJPVEV-ZDUSSCGKSA-N -1 3 385.493 3.853 20 0 GHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575516250 949204904 /nfs/dbraw/zinc/20/49/04/949204904.db2.gz OBMNARGIAYKHRJ-FZKQIMNGSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575516250 949204925 /nfs/dbraw/zinc/20/49/25/949204925.db2.gz OBMNARGIAYKHRJ-FZKQIMNGSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC001576151578 949224950 /nfs/dbraw/zinc/22/49/50/949224950.db2.gz HGLODNYFAUQKBE-JQWIXIFHSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC001576151578 949224971 /nfs/dbraw/zinc/22/49/71/949224971.db2.gz HGLODNYFAUQKBE-JQWIXIFHSA-N -1 3 380.399 3.558 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@H](CSc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001573792760 949263027 /nfs/dbraw/zinc/26/30/27/949263027.db2.gz UZOLKPXATCPQSZ-LBPRGKRZSA-N -1 3 393.944 3.897 20 0 GHADHM CC(C)(C)C(=O)N1CCC[C@H](CSc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001573792760 949263050 /nfs/dbraw/zinc/26/30/50/949263050.db2.gz UZOLKPXATCPQSZ-LBPRGKRZSA-N -1 3 393.944 3.897 20 0 GHADHM CC1=NO[C@](C)(C(=O)Nc2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC001575864934 949369173 /nfs/dbraw/zinc/36/91/73/949369173.db2.gz KJQAMPZGQNKNNV-IBGZPJMESA-N -1 3 394.460 3.511 20 0 GHADHM CC1=NO[C@](C)(C(=O)Nc2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC001575864934 949369197 /nfs/dbraw/zinc/36/91/97/949369197.db2.gz KJQAMPZGQNKNNV-IBGZPJMESA-N -1 3 394.460 3.511 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001576166463 949576610 /nfs/dbraw/zinc/57/66/10/949576610.db2.gz LRTMTGWUWLBRKM-BONVTDFDSA-N -1 3 398.280 3.776 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001576166463 949576622 /nfs/dbraw/zinc/57/66/22/949576622.db2.gz LRTMTGWUWLBRKM-BONVTDFDSA-N -1 3 398.280 3.776 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001576170194 949709199 /nfs/dbraw/zinc/70/91/99/949709199.db2.gz KZASZBCADXEKTG-VXGBXAGGSA-N -1 3 392.301 3.575 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001576170194 949709207 /nfs/dbraw/zinc/70/92/07/949709207.db2.gz KZASZBCADXEKTG-VXGBXAGGSA-N -1 3 392.301 3.575 20 0 GHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001576173792 949843459 /nfs/dbraw/zinc/84/34/59/949843459.db2.gz YZCXDVKPUAQTJT-GUYCJALGSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001576173792 949843487 /nfs/dbraw/zinc/84/34/87/949843487.db2.gz YZCXDVKPUAQTJT-GUYCJALGSA-N -1 3 378.436 3.819 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001575622579 950638810 /nfs/dbraw/zinc/63/88/10/950638810.db2.gz DAEJJKQQLOEIIY-KRWDZBQOSA-N -1 3 395.894 3.857 20 0 GHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001575622579 950638818 /nfs/dbraw/zinc/63/88/18/950638818.db2.gz DAEJJKQQLOEIIY-KRWDZBQOSA-N -1 3 395.894 3.857 20 0 GHADHM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001575622309 950639547 /nfs/dbraw/zinc/63/95/47/950639547.db2.gz CBEGGVBBVBSMHU-SFHVURJKSA-N -1 3 395.894 3.857 20 0 GHADHM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001575622309 950639563 /nfs/dbraw/zinc/63/95/63/950639563.db2.gz CBEGGVBBVBSMHU-SFHVURJKSA-N -1 3 395.894 3.857 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3cc4sccc4s3)c(-c3nnn[n-]3)cc2C1 ZINC001576214873 950684742 /nfs/dbraw/zinc/68/47/42/950684742.db2.gz CZBFWQOHOQZFBG-VIFPVBQESA-N -1 3 396.501 3.915 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)c3cc4sccc4s3)c(-c3nn[n-]n3)cc2C1 ZINC001576214873 950684754 /nfs/dbraw/zinc/68/47/54/950684754.db2.gz CZBFWQOHOQZFBG-VIFPVBQESA-N -1 3 396.501 3.915 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2coc(-c3ccccc3F)n2)n1 ZINC001573882289 950778505 /nfs/dbraw/zinc/77/85/05/950778505.db2.gz YMQBKJLOVZKVBR-UHFFFAOYSA-N -1 3 394.410 3.932 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2coc(-c3ccccc3F)n2)n1 ZINC001573882289 950778515 /nfs/dbraw/zinc/77/85/15/950778515.db2.gz YMQBKJLOVZKVBR-UHFFFAOYSA-N -1 3 394.410 3.932 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cncc4[nH]ccc43)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576218286 950782833 /nfs/dbraw/zinc/78/28/33/950782833.db2.gz QATMMDCAFMIIJT-ZJUUUORDSA-N -1 3 393.476 3.743 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cncc4[nH]ccc43)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576218286 950782852 /nfs/dbraw/zinc/78/28/52/950782852.db2.gz QATMMDCAFMIIJT-ZJUUUORDSA-N -1 3 393.476 3.743 20 0 GHADHM CC(C)(CC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1)c1ccccc1 ZINC001573896899 950950762 /nfs/dbraw/zinc/95/07/62/950950762.db2.gz LIVIRVLEIFWMAC-UHFFFAOYSA-N -1 3 375.476 3.730 20 0 GHADHM CC(C)(CC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1)c1ccccc1 ZINC001573896899 950950782 /nfs/dbraw/zinc/95/07/82/950950782.db2.gz LIVIRVLEIFWMAC-UHFFFAOYSA-N -1 3 375.476 3.730 20 0 GHADHM O=C([O-])CN1CC[C@@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)C1=O ZINC001595079866 951670716 /nfs/dbraw/zinc/67/07/16/951670716.db2.gz WAFHITSUOXCLJS-AEFFLSMTSA-N -1 3 398.425 3.602 20 0 GHADHM C[C@@H](CSC(F)(F)F)C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001575184925 952425050 /nfs/dbraw/zinc/42/50/50/952425050.db2.gz HNQMRYGBGOHJPO-JTQLQIEISA-N -1 3 385.415 3.641 20 0 GHADHM C[C@@H](CSC(F)(F)F)C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001575184925 952425056 /nfs/dbraw/zinc/42/50/56/952425056.db2.gz HNQMRYGBGOHJPO-JTQLQIEISA-N -1 3 385.415 3.641 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575187699 952444079 /nfs/dbraw/zinc/44/40/79/952444079.db2.gz DZHRKONMKPYWKF-QRWLVFNGSA-N -1 3 395.482 3.568 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575187699 952444084 /nfs/dbraw/zinc/44/40/84/952444084.db2.gz DZHRKONMKPYWKF-QRWLVFNGSA-N -1 3 395.482 3.568 20 0 GHADHM C[C@@H](Cc1ccccc1Br)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001575191024 952465374 /nfs/dbraw/zinc/46/53/74/952465374.db2.gz WDPXBMMEZVCLRN-JTQLQIEISA-N -1 3 376.233 3.811 20 0 GHADHM C[C@@H](Cc1ccccc1Br)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001575191024 952465375 /nfs/dbraw/zinc/46/53/75/952465375.db2.gz WDPXBMMEZVCLRN-JTQLQIEISA-N -1 3 376.233 3.811 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(-c2ccncc2)c1 ZINC001575191649 952468750 /nfs/dbraw/zinc/46/87/50/952468750.db2.gz YOBDZCNQIAWSAX-HNNXBMFYSA-N -1 3 385.427 3.713 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(-c2ccncc2)c1 ZINC001575191649 952468753 /nfs/dbraw/zinc/46/87/53/952468753.db2.gz YOBDZCNQIAWSAX-HNNXBMFYSA-N -1 3 385.427 3.713 20 0 GHADHM C[C@@H]1CCc2c(sc3nc(CNC4(CC(=O)[O-])CCCCC4)nc(N)c32)C1 ZINC001589363502 954170126 /nfs/dbraw/zinc/17/01/26/954170126.db2.gz JLENZOOKTNOTJY-GFCCVEGCSA-N -1 3 388.537 3.666 20 0 GHADHM CO[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc(Cl)c1 ZINC001593940443 956268847 /nfs/dbraw/zinc/26/88/47/956268847.db2.gz MRHFEQODFQQTHE-CRAIPNDOSA-N -1 3 392.883 3.711 20 0 GHADHM CN(C)c1ncccc1CN1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001350622075 962557406 /nfs/dbraw/zinc/55/74/06/962557406.db2.gz AQXHBFWSXAZMAZ-UHFFFAOYSA-N -1 3 378.476 3.707 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001520135801 962813233 /nfs/dbraw/zinc/81/32/33/962813233.db2.gz PCUDUCNALBYUSP-HOYKHHGWSA-N -1 3 394.515 3.588 20 0 GHADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001625864529 1014252592 /nfs/dbraw/zinc/25/25/92/1014252592.db2.gz XGJCQENWZLBMPJ-VOJFVSQTSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@](CNCc1c(F)cc(Br)cc1F)(C(=O)[O-])c1ccccc1 ZINC001592709887 979196002 /nfs/dbraw/zinc/19/60/02/979196002.db2.gz PZSKQTPWCAZSOA-QGZVFWFLSA-N -1 3 384.220 3.859 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc21 ZINC000182280442 1014568428 /nfs/dbraw/zinc/56/84/28/1014568428.db2.gz RUCYELQKVMHEBZ-GOSISDBHSA-N -1 3 392.459 3.566 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccc(OCCC)cc2)c1 ZINC001625958314 1014580880 /nfs/dbraw/zinc/58/08/80/1014580880.db2.gz QJXOWVSWYPWYLE-UHFFFAOYSA-N -1 3 382.460 3.971 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592868186 979718603 /nfs/dbraw/zinc/71/86/03/979718603.db2.gz VZUPZGIIFCOYFE-CBGDNZLLSA-N -1 3 395.503 3.734 20 0 GHADHM CN(C)Cc1csc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC001625985483 1014637264 /nfs/dbraw/zinc/63/72/64/1014637264.db2.gz FCFORGYMEXKTKF-UHFFFAOYSA-N -1 3 381.501 3.948 20 0 GHADHM CCCCCC[C@@](O)(CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001595697182 982238621 /nfs/dbraw/zinc/23/86/21/982238621.db2.gz OHFNVEBMNUMIDP-LAUBAEHRSA-N -1 3 396.959 3.805 20 0 GHADHM CCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595824462 982704139 /nfs/dbraw/zinc/70/41/39/982704139.db2.gz IUTSWNITLZPRQU-NJDAHSKKSA-N -1 3 386.536 3.781 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836447 982741836 /nfs/dbraw/zinc/74/18/36/982741836.db2.gz BEHJTUGONXPKOK-XYJFISCASA-N -1 3 380.916 3.730 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001588956514 984705691 /nfs/dbraw/zinc/70/56/91/984705691.db2.gz RKUCHNMQJMQEFR-MNBHRQSQSA-N -1 3 398.547 3.995 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2cc(OC)c(C(=O)[O-])cc2Br)C12CCC2 ZINC001596840666 985526406 /nfs/dbraw/zinc/52/64/06/985526406.db2.gz ZYMKXLSRLJMQLF-HZPDHXFCSA-N -1 3 398.297 3.593 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CC34CCCCC4)cs2)c1 ZINC000544874780 1015135625 /nfs/dbraw/zinc/13/56/25/1015135625.db2.gz DJTJBOHMNCOVCA-QGZVFWFLSA-N -1 3 399.516 3.791 20 0 GHADHM C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@H]2CCCC[C@@H]12 ZINC001594507191 985726978 /nfs/dbraw/zinc/72/69/78/985726978.db2.gz LRKASUJNKNCEIJ-IPYPFGDCSA-N -1 3 376.522 3.774 20 0 GHADHM CCOCOc1ccc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001596945361 986085385 /nfs/dbraw/zinc/08/53/85/986085385.db2.gz ILJHZGIHTDSNJY-UHFFFAOYSA-N -1 3 384.476 3.834 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)ccc1OC(F)F ZINC001597036329 986476903 /nfs/dbraw/zinc/47/69/03/986476903.db2.gz YZEVKJDNXNMJKV-GOSISDBHSA-N -1 3 393.386 3.537 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1 ZINC001589600947 987423878 /nfs/dbraw/zinc/42/38/78/987423878.db2.gz BACZAAYODPDGIZ-LJQANCHMSA-N -1 3 377.444 3.791 20 0 GHADHM CSc1ccc([C@@H](CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)N(C)C)cc1 ZINC001599811636 988346675 /nfs/dbraw/zinc/34/66/75/988346675.db2.gz IQSSAYZPQMQJJF-GOSISDBHSA-N -1 3 387.505 3.840 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H](C)c2cccs2)no1 ZINC000545028917 1015382511 /nfs/dbraw/zinc/38/25/11/1015382511.db2.gz DTPYLCMQKDVXKU-WDEREUQCSA-N -1 3 397.909 3.976 20 0 GHADHM CC(C)(C)OC(=O)CCC1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001589873030 988514375 /nfs/dbraw/zinc/51/43/75/988514375.db2.gz HELLRJQMJAMPJV-UHFFFAOYSA-N -1 3 376.497 3.924 20 0 GHADHM CCc1oc(CN[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1C(=O)[O-] ZINC001597799676 989383871 /nfs/dbraw/zinc/38/38/71/989383871.db2.gz RPLLQUXAFLHSEK-VFNWGFHPSA-N -1 3 387.476 3.955 20 0 GHADHM CCc1oc(CN[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597799861 989388173 /nfs/dbraw/zinc/38/81/73/989388173.db2.gz UYFYJBUECCNYCT-OXJNMPFZSA-N -1 3 378.469 3.562 20 0 GHADHM CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001597882028 989708410 /nfs/dbraw/zinc/70/84/10/989708410.db2.gz HGNKBLPQYMPVMI-JOCHJYFZSA-N -1 3 393.487 3.645 20 0 GHADHM CC(C)(C)OC(=O)c1ccccc1OCCN1CCc2cccc(C(=O)[O-])c2C1 ZINC001590368197 989844317 /nfs/dbraw/zinc/84/43/17/989844317.db2.gz ACDHTCNPIHYDAM-UHFFFAOYSA-N -1 3 397.471 3.777 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001598144974 990613232 /nfs/dbraw/zinc/61/32/32/990613232.db2.gz KWLJPCOUNGXGNN-IBGZPJMESA-N -1 3 376.453 3.689 20 0 GHADHM CC(C)=CCC[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001590921751 990913635 /nfs/dbraw/zinc/91/36/35/990913635.db2.gz JWPDCEMLZYYYOJ-CVDCTZTESA-N -1 3 386.536 3.995 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001598229299 990926787 /nfs/dbraw/zinc/92/67/87/990926787.db2.gz HPSZOCYDNDAUNQ-UHFFFAOYSA-N -1 3 386.477 3.523 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1C(F)(F)F ZINC001598252077 991030500 /nfs/dbraw/zinc/03/05/00/991030500.db2.gz CIICFZAEPAYRQF-UHFFFAOYSA-N -1 3 384.329 3.857 20 0 GHADHM CN(C)Cc1cccc(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)c1 ZINC001598253021 991037635 /nfs/dbraw/zinc/03/76/35/991037635.db2.gz ABNYJNBMOQUCPK-UHFFFAOYSA-N -1 3 395.228 3.600 20 0 GHADHM CC(C)C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001591184684 991989467 /nfs/dbraw/zinc/98/94/67/991989467.db2.gz YHHGASXDPXXKNL-MRXNPFEDSA-N -1 3 375.856 3.749 20 0 GHADHM O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(Cl)c([O-])c2)N1CCC(F)(F)F ZINC001277154754 1032123910 /nfs/dbraw/zinc/12/39/10/1032123910.db2.gz GWEJPVPIMSGBFM-ZIAGYGMSSA-N -1 3 376.806 3.563 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)c2ccsc2CC(=O)[O-])N(C)C)cc1 ZINC001591484336 992610191 /nfs/dbraw/zinc/61/01/91/992610191.db2.gz NWUMJSVMTPFDRR-SFHVURJKSA-N -1 3 388.533 3.606 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)N(C)C)cc1 ZINC001591484878 992614078 /nfs/dbraw/zinc/61/40/78/992614078.db2.gz VZEYHUHWXCBCNS-YUVSOPLDSA-N -1 3 386.536 3.639 20 0 GHADHM CC(C)Cc1ccc([C@H](NCC(=O)Nc2cccc(C(=O)[O-])n2)C(C)C)cc1 ZINC001591484893 992614230 /nfs/dbraw/zinc/61/42/30/992614230.db2.gz WJFWHJJTOYZFCB-OAQYLSRUSA-N -1 3 383.492 3.904 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000468576186 1015817079 /nfs/dbraw/zinc/81/70/79/1015817079.db2.gz HUHNTVBNBAUXPU-WEVVVXLNSA-N -1 3 382.479 3.712 20 0 GHADHM C[C@@H](N[C@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1-c1ccc(Cl)cc1 ZINC001593221055 994318486 /nfs/dbraw/zinc/31/84/86/994318486.db2.gz XHIWJZANSDTJGG-KUHUBIRLSA-N -1 3 386.879 3.733 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000468635606 1015862255 /nfs/dbraw/zinc/86/22/55/1015862255.db2.gz RFCPRDNWTAVZNG-JOCHJYFZSA-N -1 3 385.435 3.893 20 0 GHADHM C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593316659 994812385 /nfs/dbraw/zinc/81/23/85/994812385.db2.gz JBHIZNLSCRLQBC-UTKZUKDTSA-N -1 3 389.499 3.783 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)CC(C)(C)C2)c1 ZINC000468706875 1015933570 /nfs/dbraw/zinc/93/35/70/1015933570.db2.gz MDEWNOXLGIFDIQ-UHFFFAOYSA-N -1 3 385.464 3.839 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001593689180 996130980 /nfs/dbraw/zinc/13/09/80/996130980.db2.gz BVLSTSGFKLBIOZ-XOBRGWDASA-N -1 3 378.469 3.762 20 0 GHADHM COc1ccc([C@H](Cc2ccc(F)cc2)NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001599516024 997388069 /nfs/dbraw/zinc/38/80/69/997388069.db2.gz JPAOLDUPZSHVDG-FQEVSTJZSA-N -1 3 382.435 3.945 20 0 GHADHM COCCCC1(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)CCC1 ZINC001599223976 997722838 /nfs/dbraw/zinc/72/28/38/997722838.db2.gz MDOBOFZBOXZOSU-IBGZPJMESA-N -1 3 394.943 3.680 20 0 GHADHM COC(=O)c1cc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc(C(=O)[O-])c1 ZINC001598931195 997759098 /nfs/dbraw/zinc/75/90/98/997759098.db2.gz ZVRXTVARVLPDJK-NSHDSACASA-N -1 3 397.349 3.921 20 0 GHADHM CC(C)(C)OC(=O)NC1(C)CCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)CC1 ZINC001594057051 997806144 /nfs/dbraw/zinc/80/61/44/997806144.db2.gz HNSAWYDLJNNAPM-UHFFFAOYSA-N -1 3 388.508 3.682 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000468882827 1016159927 /nfs/dbraw/zinc/15/99/27/1016159927.db2.gz HJHRBNAUOSHMDE-HNNXBMFYSA-N -1 3 384.451 3.858 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000468883881 1016161569 /nfs/dbraw/zinc/16/15/69/1016161569.db2.gz HJHRBNAUOSHMDE-OAHLLOKOSA-N -1 3 384.451 3.858 20 0 GHADHM COc1cc(Br)ccc1CCCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599349026 998061111 /nfs/dbraw/zinc/06/11/11/998061111.db2.gz ZZKOSJHONQKLLS-SNVBAGLBSA-N -1 3 399.310 3.896 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2cccc(-c3ccccn3)c2)C(=O)[O-])c1 ZINC001599453344 998145709 /nfs/dbraw/zinc/14/57/09/998145709.db2.gz LVSJWODOQBCFGH-OAQYLSRUSA-N -1 3 378.428 3.681 20 0 GHADHM COc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC(F)F ZINC001599559054 998153215 /nfs/dbraw/zinc/15/32/15/998153215.db2.gz PWIXUAYTHMREFZ-UHFFFAOYSA-N -1 3 387.329 3.662 20 0 GHADHM COc1ccc(-c2nc(CN[C@H](C)[C@H](Cc3ccccc3)C(=O)[O-])co2)cc1 ZINC001599469789 998430017 /nfs/dbraw/zinc/43/00/17/998430017.db2.gz KCRWLBOZJMVLSQ-QRWLVFNGSA-N -1 3 380.444 3.772 20 0 GHADHM COC[C@H](N[C@H](C(=O)[O-])c1ccccc1C)c1cccc(Br)c1 ZINC001599173880 998641340 /nfs/dbraw/zinc/64/13/40/998641340.db2.gz SNDOWNHMOWBFKD-IRXDYDNUSA-N -1 3 378.266 3.861 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc2ncc(-c3ccccc3)nc21 ZINC001154496194 1032144566 /nfs/dbraw/zinc/14/45/66/1032144566.db2.gz BJVVCJBNGXRIKO-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc2ncc(-c3ccccc3)nc21 ZINC001154496194 1032144584 /nfs/dbraw/zinc/14/45/84/1032144584.db2.gz BJVVCJBNGXRIKO-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300947 999162238 /nfs/dbraw/zinc/16/22/38/999162238.db2.gz YPLIUBNYSVIDRI-GOXNLZCHSA-N -1 3 387.307 3.671 20 0 GHADHM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300945 999162306 /nfs/dbraw/zinc/16/23/06/999162306.db2.gz YPLIUBNYSVIDRI-DBYGNECLSA-N -1 3 387.307 3.671 20 0 GHADHM CC1CCC(N(C(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C2CC2)CC1 ZINC001594306326 999183346 /nfs/dbraw/zinc/18/33/46/999183346.db2.gz DYRSDKWKSQVWDW-QYGXFBIXSA-N -1 3 386.536 3.998 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)c(=O)c2c1 ZINC000557839079 1017055472 /nfs/dbraw/zinc/05/54/72/1017055472.db2.gz VJRLXXLLRVJMTH-UHFFFAOYSA-N -1 3 396.418 3.786 20 0 GHADHM COC(=O)c1cccc2[n-]nc(C(=O)N(c3ccccc3)c3ccccc3N)c21 ZINC001154606815 1032209842 /nfs/dbraw/zinc/20/98/42/1032209842.db2.gz PSJVCDHPSLLMDI-UHFFFAOYSA-N -1 3 386.411 3.910 20 0 GHADHM COc1c([O-])c(OC)c2oc(-c3ccccc3)cc(=O)c2c1O[C@@H](C)CN(C)C ZINC001227306582 1032365527 /nfs/dbraw/zinc/36/55/27/1032365527.db2.gz ILQHODZJLGMQCV-ZDUSSCGKSA-N -1 3 399.443 3.512 20 0 GHADHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227588125 1032474803 /nfs/dbraw/zinc/47/48/03/1032474803.db2.gz PBVATVWQYAXXAT-SRVKXCTJSA-N -1 3 395.265 3.518 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C2 ZINC001227587838 1032475030 /nfs/dbraw/zinc/47/50/30/1032475030.db2.gz ZKTAVMYZYWYBBA-GFCCVEGCSA-N -1 3 388.386 3.974 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001204156029 1032608119 /nfs/dbraw/zinc/60/81/19/1032608119.db2.gz UJQPYMBLFAKCCA-FQEVSTJZSA-N -1 3 387.430 3.518 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@H](C(=O)c2cccs2)c2cccs2)n1 ZINC001227820597 1032630584 /nfs/dbraw/zinc/63/05/84/1032630584.db2.gz XLIMVNWTRKHBNL-HNNXBMFYSA-N -1 3 375.427 3.700 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@H](C)c2c(F)cc(Br)cc2F)n1 ZINC001227826997 1032635861 /nfs/dbraw/zinc/63/58/61/1032635861.db2.gz XPDUHWBSNWQWQX-SSDOTTSWSA-N -1 3 388.164 3.755 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)s1 ZINC000927320332 1017390750 /nfs/dbraw/zinc/39/07/50/1017390750.db2.gz RXWQOXOOPDMTFQ-VLIAUNLRSA-N -1 3 385.489 3.904 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(COc2ccc(F)cc2)c1 ZINC000561057335 1017786002 /nfs/dbraw/zinc/78/60/02/1017786002.db2.gz QJKUFVVQHUUGJN-OAHLLOKOSA-N -1 3 382.313 3.782 20 0 GHADHM CC(C)c1cc(=O)[n-]c(N2CC[C@H](NC(=O)Nc3ccccc3C(F)F)C2)n1 ZINC000931790059 1018051717 /nfs/dbraw/zinc/05/17/17/1018051717.db2.gz ZLSVGAUQJKGFFR-LBPRGKRZSA-N -1 3 391.422 3.644 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c2ccccc12 ZINC000778082529 1018247320 /nfs/dbraw/zinc/24/73/20/1018247320.db2.gz QEUUIOZBPCFRRC-UHFFFAOYSA-N -1 3 397.500 3.661 20 0 GHADHM Cc1c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cnn1[C@@H]1CCOC1 ZINC000562631828 1018451211 /nfs/dbraw/zinc/45/12/11/1018451211.db2.gz UERBXEONHIYVMF-LJQANCHMSA-N -1 3 391.471 3.896 20 0 GHADHM COc1ccc(C(=O)c2ccc(OC)cc2O[C@H]2C[C@H]3CC[C@@H](C2)N3C)c([O-])c1 ZINC001228115983 1032789786 /nfs/dbraw/zinc/78/97/86/1032789786.db2.gz ODPSGQQFZDZZBZ-HWWDLCQESA-N -1 3 397.471 3.644 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000563376360 1018907813 /nfs/dbraw/zinc/90/78/13/1018907813.db2.gz JIYHMCNDHWGRFV-LBPRGKRZSA-N -1 3 375.831 3.699 20 0 GHADHM O=C(Nc1cc2ccccc2cc1[O-])c1nnc2cc(Br)ccn21 ZINC001155935848 1032801048 /nfs/dbraw/zinc/80/10/48/1032801048.db2.gz MKYJAQHIWJENIR-UHFFFAOYSA-N -1 3 383.205 3.603 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)s1 ZINC000567681841 1019329681 /nfs/dbraw/zinc/32/96/81/1019329681.db2.gz UAINZFOYXLFGOE-UHFFFAOYSA-N -1 3 377.857 3.679 20 0 GHADHM O=C(CCSc1ccccc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000570333830 1019585600 /nfs/dbraw/zinc/58/56/00/1019585600.db2.gz YGKBXKADHWFNIY-ZDUSSCGKSA-N -1 3 396.310 3.567 20 0 GHADHM CN(C)c1nc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc(=O)[n-]1 ZINC000572306371 1019764048 /nfs/dbraw/zinc/76/40/48/1019764048.db2.gz YVMGRCBZLKYXSS-UHFFFAOYSA-N -1 3 389.415 3.544 20 0 GHADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159802976 1020362381 /nfs/dbraw/zinc/36/23/81/1020362381.db2.gz RLYUJWWKDZHOBD-ZBFHGGJFSA-N -1 3 394.487 3.821 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000190327914 1020665999 /nfs/dbraw/zinc/66/59/99/1020665999.db2.gz ZZTVXNWURWOBOY-MRXNPFEDSA-N -1 3 376.497 3.674 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(CCC(F)(F)F)Cc1ccccc1 ZINC000191940058 1020832986 /nfs/dbraw/zinc/83/29/86/1020832986.db2.gz YELRAHLCUMWYFM-UHFFFAOYSA-N -1 3 375.350 3.518 20 0 GHADHM Cc1cccc(-c2cc(C(F)(F)NCCCc3c[n-][nH]c3=O)cnc2Cl)c1 ZINC001156284958 1032958339 /nfs/dbraw/zinc/95/83/39/1032958339.db2.gz AECFYCXXBQCCBE-CQSZACIVSA-N -1 3 392.837 3.861 20 0 GHADHM O=c1[nH][n-]cc1CCCNC(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001156284374 1032958390 /nfs/dbraw/zinc/95/83/90/1032958390.db2.gz HKRUIEJUKOCUTG-GFCCVEGCSA-N -1 3 396.800 3.692 20 0 GHADHM [O-]c1cnccc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001140278916 1021306594 /nfs/dbraw/zinc/30/65/94/1021306594.db2.gz YDTBJJQMCUWKIS-UHFFFAOYSA-N -1 3 395.453 3.973 20 0 GHADHM CC(C)Nc1ccc(Br)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900912724 1021362965 /nfs/dbraw/zinc/36/29/65/1021362965.db2.gz PCKSGEMLVKYINE-UHFFFAOYSA-N -1 3 391.269 3.895 20 0 GHADHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000902036535 1021473705 /nfs/dbraw/zinc/47/37/05/1021473705.db2.gz USHZFMLJGSYLCN-LBPRGKRZSA-N -1 3 378.213 3.880 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC(F)(F)CC2)cc1 ZINC000903679743 1021626762 /nfs/dbraw/zinc/62/67/62/1021626762.db2.gz LOSIILTXZCLUTL-UHFFFAOYSA-N -1 3 387.370 3.622 20 0 GHADHM CC(C)Oc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1Cl ZINC000903941397 1021659884 /nfs/dbraw/zinc/65/98/84/1021659884.db2.gz NZABMAFILQMKET-VDZJLULYSA-N -1 3 381.900 3.971 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c1 ZINC000748659782 1021706273 /nfs/dbraw/zinc/70/62/73/1021706273.db2.gz QJVKZVUYMPMFCC-UHFFFAOYSA-N -1 3 378.881 3.860 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)s1 ZINC000676892817 1021775737 /nfs/dbraw/zinc/77/57/37/1021775737.db2.gz NHTQYJBTMRADAO-UHFFFAOYSA-N -1 3 396.372 3.834 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000677242542 1021809003 /nfs/dbraw/zinc/80/90/03/1021809003.db2.gz KQLVEMIUMPHNHG-XKQJLSEDSA-N -1 3 379.453 3.506 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)n3cccc3)cc2)cc1 ZINC000135932908 1033014797 /nfs/dbraw/zinc/01/47/97/1033014797.db2.gz AMXQNOJGYRWWCK-INIZCTEOSA-N -1 3 383.473 3.797 20 0 GHADHM CC(C)(C)CC(=O)NC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140555521 1021958935 /nfs/dbraw/zinc/95/89/35/1021958935.db2.gz MCXFWCHISBIDOV-UHFFFAOYSA-N -1 3 383.330 3.672 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(Cl)ncc3ccccc32)CC1 ZINC001140726266 1022367504 /nfs/dbraw/zinc/36/75/04/1022367504.db2.gz KZQRLKXUJNGQHK-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2nnc(-c3cccnc3)[n-]2)cc1 ZINC001228698826 1033052237 /nfs/dbraw/zinc/05/22/37/1033052237.db2.gz UIFVZBKRNWHRCA-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2nc(-c3cccnc3)n[n-]2)cc1 ZINC001228698826 1033052254 /nfs/dbraw/zinc/05/22/54/1033052254.db2.gz UIFVZBKRNWHRCA-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM c1ccc(OCC(COc2ccccc2)Oc2n[n-]c(-c3cccnc3)n2)cc1 ZINC001228698826 1033052267 /nfs/dbraw/zinc/05/22/67/1033052267.db2.gz UIFVZBKRNWHRCA-UHFFFAOYSA-N -1 3 388.427 3.772 20 0 GHADHM [O-]c1ccc(CN2CCC3(CC2)CN(Cc2cccs2)CCO3)c(F)c1F ZINC001140889322 1022805740 /nfs/dbraw/zinc/80/57/40/1022805740.db2.gz RMRJSSSBJHAYMZ-UHFFFAOYSA-N -1 3 394.487 3.599 20 0 GHADHM O=C1C[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)CN1c1ccc(F)c(F)c1 ZINC001140890593 1022808938 /nfs/dbraw/zinc/80/89/38/1022808938.db2.gz IWAPJMHUFGUBNF-FQEVSTJZSA-N -1 3 394.368 3.578 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001140896169 1022825213 /nfs/dbraw/zinc/82/52/13/1022825213.db2.gz NMQYSGMBAFKVHO-MRXNPFEDSA-N -1 3 393.462 3.674 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000836424181 1022962455 /nfs/dbraw/zinc/96/24/55/1022962455.db2.gz BJMRTJMILWXOLN-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000836424181 1022962459 /nfs/dbraw/zinc/96/24/59/1022962459.db2.gz BJMRTJMILWXOLN-UHFFFAOYSA-N -1 3 387.436 3.886 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000836487598 1023023673 /nfs/dbraw/zinc/02/36/73/1023023673.db2.gz HKSCVLCHEBJRBH-UHFFFAOYSA-N -1 3 384.432 3.683 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000836487598 1023023683 /nfs/dbraw/zinc/02/36/83/1023023683.db2.gz HKSCVLCHEBJRBH-UHFFFAOYSA-N -1 3 384.432 3.683 20 0 GHADHM CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140990284 1023102917 /nfs/dbraw/zinc/10/29/17/1023102917.db2.gz SKUUSSNHBXWVNL-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccccc4c(Cl)n3)nc21 ZINC000755364920 1023216176 /nfs/dbraw/zinc/21/61/76/1023216176.db2.gz BBCAURRXGKLPMT-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(-n4ccnn4)c3)nc(=O)c2c1C ZINC000756281519 1023577170 /nfs/dbraw/zinc/57/71/70/1023577170.db2.gz SDOYMTUVSLZFND-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM CCOc1cc(C[N-]C(=O)C(F)(F)c2nccs2)ccc1OC(F)F ZINC000756442773 1023652677 /nfs/dbraw/zinc/65/26/77/1023652677.db2.gz DSOFIJXRFGDKAF-UHFFFAOYSA-N -1 3 378.347 3.551 20 0 GHADHM CN(Cc1csc(C(C)(C)O)n1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000837075619 1023996071 /nfs/dbraw/zinc/99/60/71/1023996071.db2.gz RRQMQONTABFQLF-UHFFFAOYSA-N -1 3 396.512 3.939 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H]1CCCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001156681976 1033181106 /nfs/dbraw/zinc/18/11/06/1033181106.db2.gz VXQNTPBTEIIYBZ-VIFPVBQESA-N -1 3 379.860 3.664 20 0 GHADHM CSCc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001138125410 1024168907 /nfs/dbraw/zinc/16/89/07/1024168907.db2.gz HZPNIEOKNJOJJF-UHFFFAOYSA-N -1 3 384.910 3.827 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)ccc1F ZINC000837182535 1024196196 /nfs/dbraw/zinc/19/61/96/1024196196.db2.gz HUWCOLWTDZYBDY-UHFFFAOYSA-N -1 3 384.517 3.552 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc3c2OCCCO3)c([O-])c1 ZINC001156713669 1033201248 /nfs/dbraw/zinc/20/12/48/1033201248.db2.gz FBNJJIMRFYFCGY-UHFFFAOYSA-N -1 3 385.416 3.761 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC(Oc3cccc(Cl)n3)CC2)c2ccccc21 ZINC001138195804 1024343133 /nfs/dbraw/zinc/34/31/33/1024343133.db2.gz FWLQMZXUTWDDSJ-UHFFFAOYSA-N -1 3 399.878 3.818 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001138262417 1024496458 /nfs/dbraw/zinc/49/64/58/1024496458.db2.gz GPDUZZRNCPPCNR-SNVBAGLBSA-N -1 3 382.229 3.722 20 0 GHADHM O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1cccc2n[n-]nc21 ZINC001138299624 1024586731 /nfs/dbraw/zinc/58/67/31/1024586731.db2.gz DJQCPRFVMLCVHC-OAHLLOKOSA-N -1 3 399.292 3.862 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc(O)c(F)c3)nc(=O)c2c1C ZINC000838140754 1024942248 /nfs/dbraw/zinc/94/22/48/1024942248.db2.gz BEHTXEXWFXGUDV-VIFPVBQESA-N -1 3 376.409 3.705 20 0 GHADHM C[C@@H]1C[C@H](Oc2cc(O)cc([O-])c2Br)CN1C(=O)OC(C)(C)C ZINC001229098429 1033278391 /nfs/dbraw/zinc/27/83/91/1033278391.db2.gz DXQYWTPDUYQGGN-KOLCDFICSA-N -1 3 388.258 3.637 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000838830558 1025390600 /nfs/dbraw/zinc/39/06/00/1025390600.db2.gz AHUUEGGBVJCFGE-UHFFFAOYSA-N -1 3 399.329 3.986 20 0 GHADHM COC(=O)[C@@H](Oc1cc(O)cc([O-])c1Br)c1cccc(Cl)c1 ZINC001229097552 1033276601 /nfs/dbraw/zinc/27/66/01/1033276601.db2.gz TWZRSBNGUSIURY-AWEZNQCLSA-N -1 3 387.613 3.807 20 0 GHADHM [O-]c1cccc(CNC[C@H](O)c2ccccc2C(F)(F)F)c1Br ZINC000838916996 1025443505 /nfs/dbraw/zinc/44/35/05/1025443505.db2.gz CEJUEDWGADWAHC-AWEZNQCLSA-N -1 3 390.199 3.997 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1ccc2c(c1)CC(=O)N2C ZINC000838927533 1025449955 /nfs/dbraw/zinc/44/99/55/1025449955.db2.gz FZQHBJNRBBHJNY-NSHDSACASA-N -1 3 375.266 3.524 20 0 GHADHM O=c1cc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)nc(C2CC2)[n-]1 ZINC000838969939 1025488043 /nfs/dbraw/zinc/48/80/43/1025488043.db2.gz RSBYHXWCYYEOOU-UHFFFAOYSA-N -1 3 393.409 3.562 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(c3c(F)cccc3F)CC2)c1Br ZINC000839018635 1025522171 /nfs/dbraw/zinc/52/21/71/1025522171.db2.gz LXHPMCCDZOSEAE-UHFFFAOYSA-N -1 3 398.247 3.917 20 0 GHADHM Fc1cc(F)c2c(c1)[C@H](NC(F)(F)c1cc(Cl)nc(=S)[n-]1)CCO2 ZINC001162405193 1025737384 /nfs/dbraw/zinc/73/73/84/1025737384.db2.gz DYJXCXGZZDTSRX-SECBINFHSA-N -1 3 379.766 3.860 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001461028404 1069346430 /nfs/dbraw/zinc/34/64/30/1069346430.db2.gz YQCSRZKGFHYCCX-KBMXLJTQSA-N -1 3 382.426 3.839 20 0 GHADHM COc1cccc(CN2CCC(Cc3ccccc3F)CC2)c1OCC(=O)[O-] ZINC001139272136 1026120050 /nfs/dbraw/zinc/12/00/50/1026120050.db2.gz YIEVCBGVBDAORY-UHFFFAOYSA-N -1 3 387.451 3.752 20 0 GHADHM Cn1cc(Br)cc(Nc2ccc(-c3cnc([S-])[nH]3)cc2)c1=O ZINC001163433352 1026193107 /nfs/dbraw/zinc/19/31/07/1026193107.db2.gz QJRGASIZLVDOKK-UHFFFAOYSA-N -1 3 377.267 3.570 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc([O-])cc(Br)c2)ccc1Cl ZINC001164038701 1026392603 /nfs/dbraw/zinc/39/26/03/1026392603.db2.gz JLEWBHMMQPAJQC-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM Cc1sc2nc(-c3ccccc3)nc(NCCCc3c[n-][nH]c3=O)c2c1C ZINC001164371913 1026497004 /nfs/dbraw/zinc/49/70/04/1026497004.db2.gz HWZHMZHHDRCLAM-HNNXBMFYSA-N -1 3 379.489 3.899 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001139994478 1026781573 /nfs/dbraw/zinc/78/15/73/1026781573.db2.gz HRARDDXIAMDMLZ-UONOGXRCSA-N -1 3 389.477 3.785 20 0 GHADHM Cn1ncc2c1nc(SCCOC(c1ccccc1)c1ccccc1)[n-]c2=O ZINC001166524437 1027019959 /nfs/dbraw/zinc/01/99/59/1027019959.db2.gz NKCSQSWFJWHHHG-UHFFFAOYSA-N -1 3 392.484 3.967 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(=O)OCc1ccccc1 ZINC001209770749 1027172791 /nfs/dbraw/zinc/17/27/91/1027172791.db2.gz YKQXXKWADQTWEI-BIXGBWIQSA-N -1 3 393.549 3.644 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ocnc3C(F)(F)F)c2)n1 ZINC001141769874 1027190911 /nfs/dbraw/zinc/19/09/11/1027190911.db2.gz CXGGAMVGRGYHEN-UHFFFAOYSA-N -1 3 378.310 3.671 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1cccc(Cl)c1 ZINC001210341938 1027460341 /nfs/dbraw/zinc/46/03/41/1027460341.db2.gz XMVPROPWIZEFLF-HNNXBMFYSA-N -1 3 375.824 3.593 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@H]2C)cc1F ZINC001210420018 1027500686 /nfs/dbraw/zinc/50/06/86/1027500686.db2.gz VDLLLCJQPVXFDE-MGNBDDOMSA-N -1 3 385.407 3.714 20 0 GHADHM CC(C)(O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC001210618194 1027575042 /nfs/dbraw/zinc/57/50/42/1027575042.db2.gz PZBKMBBSIUDJMA-UHFFFAOYSA-N -1 3 375.277 3.604 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)c(Br)c1 ZINC001210837393 1027672228 /nfs/dbraw/zinc/67/22/28/1027672228.db2.gz HHNBMEGTPMDGHH-JTQLQIEISA-N -1 3 396.734 3.504 20 0 GHADHM COc1ccc(NCc2ccc(OC)c(C(C)(C)C)c2)cc1[N-]S(C)(=O)=O ZINC001461304422 1069488892 /nfs/dbraw/zinc/48/88/92/1069488892.db2.gz YNPUQFRJFSMBLE-UHFFFAOYSA-N -1 3 392.521 3.985 20 0 GHADHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC1CCCCC1 ZINC001211456376 1027969307 /nfs/dbraw/zinc/96/93/07/1027969307.db2.gz YYOGFCFKYDRJBK-QUCCMNQESA-N -1 3 393.549 3.538 20 0 GHADHM Cc1cccc(CN2CC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC001213259488 1028075735 /nfs/dbraw/zinc/07/57/35/1028075735.db2.gz LUPUZRCVQVPMKT-MRXNPFEDSA-N -1 3 399.343 3.855 20 0 GHADHM [O-]c1cc(Cl)c(CN2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(Cl)c1 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3.676 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc5ncsc5c4)no3)n[n-]c21 ZINC001217471460 1030420955 /nfs/dbraw/zinc/42/09/55/1030420955.db2.gz SJQDTGVYWMZTFS-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM CC(=O)c1ccc(Br)c(-c2noc(-c3ccc4[nH][n-]c(=O)c4c3)n2)c1 ZINC001217472976 1030422671 /nfs/dbraw/zinc/42/26/71/1030422671.db2.gz GAPWITHSUGWMBN-UHFFFAOYSA-N -1 3 399.204 3.951 20 0 GHADHM O=C(Cc1coc2ccccc12)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001150207031 1030449339 /nfs/dbraw/zinc/44/93/39/1030449339.db2.gz IJKPTVMMQRNNII-UHFFFAOYSA-N -1 3 398.220 3.557 20 0 GHADHM O=C(Cc1coc2ccccc12)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001150207031 1030449347 /nfs/dbraw/zinc/44/93/47/1030449347.db2.gz IJKPTVMMQRNNII-UHFFFAOYSA-N -1 3 398.220 3.557 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4nc5ccccc5cc4C)no3)c21 ZINC001217513437 1030456003 /nfs/dbraw/zinc/45/60/03/1030456003.db2.gz ZOERHRJFOWAXNR-UHFFFAOYSA-N -1 3 385.383 3.923 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(OC)c(Cl)c4)no3)c21 ZINC001217513422 1030456545 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GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc2cccc(Br)c2s1 ZINC001151356453 1030873878 /nfs/dbraw/zinc/87/38/78/1030873878.db2.gz OGRWIYCSTYEPPN-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001151708391 1030977973 /nfs/dbraw/zinc/97/79/73/1030977973.db2.gz AUZFVKDXFUHZPM-IBGZPJMESA-N -1 3 376.840 3.621 20 0 GHADHM O=C(Nc1cccc(C(F)(F)F)n1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821961 1031018556 /nfs/dbraw/zinc/01/85/56/1031018556.db2.gz ZVLUUZBMGMECSW-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C(Nc1cccc(C(F)(F)F)n1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821961 1031018574 /nfs/dbraw/zinc/01/85/74/1031018574.db2.gz ZVLUUZBMGMECSW-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC001152198179 1031140849 /nfs/dbraw/zinc/14/08/49/1031140849.db2.gz ZBQVEANPEMYVMW-AWEZNQCLSA-N -1 3 395.459 3.501 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1n[nH]c2ccc(OC(F)(F)F)cc21 ZINC001152594085 1031293002 /nfs/dbraw/zinc/29/30/02/1031293002.db2.gz CGMQQOOYSHJBIE-UHFFFAOYSA-N -1 3 379.294 3.622 20 0 GHADHM O=C(c1cc(=O)c2cccc(O)c2[n-]1)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001152678641 1031321916 /nfs/dbraw/zinc/32/19/16/1031321916.db2.gz CKFXDZMHTLQBCF-UHFFFAOYSA-N -1 3 388.427 3.542 20 0 GHADHM CCOC(=O)[C@@H](CC(C)C)Oc1cc(C)cc([O-])c1I ZINC001225510690 1031446058 /nfs/dbraw/zinc/44/60/58/1031446058.db2.gz MIUBKFTUTZENMF-CYBMUJFWSA-N -1 3 392.233 3.662 20 0 GHADHM Cc1cc(Cl)cc(C)c1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001153357281 1031552129 /nfs/dbraw/zinc/55/21/29/1031552129.db2.gz BRCPPLZFLOSYMA-UHFFFAOYSA-N -1 3 396.878 3.982 20 0 GHADHM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC001153468320 1031607209 /nfs/dbraw/zinc/60/72/09/1031607209.db2.gz OJVPTUKNUOMUGN-UHFFFAOYSA-N -1 3 380.267 3.672 20 0 GHADHM C[C@H](c1ccccc1)N1C[C@H](COc2cc(C(F)(F)F)nc(=S)[n-]2)OC1=O ZINC001225851353 1031651776 /nfs/dbraw/zinc/65/17/76/1031651776.db2.gz VZZAIPSZELAMHI-ZYHUDNBSSA-N -1 3 399.394 3.745 20 0 GHADHM COc1ccccc1-c1cc(NC(=O)c2cc([O-])cc(Br)c2)n[nH]1 ZINC001153765836 1031734072 /nfs/dbraw/zinc/73/40/72/1031734072.db2.gz RSZNUAKQTXTGCF-UHFFFAOYSA-N -1 3 388.221 3.806 20 0 GHADHM COc1nscc1[N-]C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC001153894967 1031795994 /nfs/dbraw/zinc/79/59/94/1031795994.db2.gz KJFAAQOHWNRPEH-UHFFFAOYSA-N -1 3 377.447 3.545 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117303 1031796298 /nfs/dbraw/zinc/79/62/98/1031796298.db2.gz KPAXLEXXGCVSPZ-AUUYWEPGSA-N -1 3 377.510 3.811 20 0 GHADHM O=C(Nc1cn2cc(Br)ccc2n1)c1c([O-])cc2ccccc2c1O ZINC001154023194 1031879852 /nfs/dbraw/zinc/87/98/52/1031879852.db2.gz PLPVLZQRULJFHK-UHFFFAOYSA-N -1 3 398.216 3.914 20 0 GHADHM Cc1ccc(C)c(OCC(=O)Nc2ccc(I)cc2[O-])c1 ZINC001154100633 1031927275 /nfs/dbraw/zinc/92/72/75/1031927275.db2.gz LXCWHFIJTXNSIX-UHFFFAOYSA-N -1 3 397.212 3.631 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccccc3-c3nccs3)[n-]nc21 ZINC001154147271 1031951439 /nfs/dbraw/zinc/95/14/39/1031951439.db2.gz RRBMOVNJKTXXGS-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccccc3-c3nccs3)n[n-]c21 ZINC001154147271 1031951447 /nfs/dbraw/zinc/95/14/47/1031951447.db2.gz RRBMOVNJKTXXGS-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC001226480076 1031974541 /nfs/dbraw/zinc/97/45/41/1031974541.db2.gz YMPWUIPICINUDQ-MRXNPFEDSA-N -1 3 391.464 3.859 20 0 GHADHM CCCCCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001220547616 1031984672 /nfs/dbraw/zinc/98/46/72/1031984672.db2.gz ZEODTRGXVHTDRQ-AWEZNQCLSA-N -1 3 385.430 3.949 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)cc12 ZINC001226532879 1031998516 /nfs/dbraw/zinc/99/85/16/1031998516.db2.gz WPUSSVXWPWLYKK-BBRMVZONSA-N -1 3 389.448 3.831 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])c1ccccc1 ZINC001226532533 1031998728 /nfs/dbraw/zinc/99/87/28/1031998728.db2.gz SLIIKUDYOHYZPR-NRFANRHFSA-N -1 3 381.428 3.796 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc12 ZINC001226532551 1031999222 /nfs/dbraw/zinc/99/92/22/1031999222.db2.gz STADJFBVYMFHMU-KGLIPLIRSA-N -1 3 389.448 3.974 20 0 GHADHM O=C(NCC(F)(F)Br)c1cc(CCc2ccccc2)ccc1[O-] ZINC001157091092 1033409205 /nfs/dbraw/zinc/40/92/05/1033409205.db2.gz MJJUIHLHSDCHSW-UHFFFAOYSA-N -1 3 384.220 3.895 20 0 GHADHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C(=O)C3)c12 ZINC001229353548 1033433647 /nfs/dbraw/zinc/43/36/47/1033433647.db2.gz PNPCJVGFLOHYLK-SNVBAGLBSA-N -1 3 395.506 3.593 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157234457 1033485412 /nfs/dbraw/zinc/48/54/12/1033485412.db2.gz QIADBAMRAXYIDG-RYUDHWBXSA-N -1 3 384.402 3.900 20 0 GHADHM Cc1cc(Br)c(F)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157243290 1033488946 /nfs/dbraw/zinc/48/89/46/1033488946.db2.gz PTCOIFKQDSGRJN-ZCFIWIBFSA-N -1 3 395.154 3.525 20 0 GHADHM COCC(=O)N1CCCc2ccc(NC(=O)c3cc4sccc4c([O-])c3)cc21 ZINC001157404824 1033570821 /nfs/dbraw/zinc/57/08/21/1033570821.db2.gz JSRWUEZPIUDOAU-UHFFFAOYSA-N -1 3 396.468 3.785 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(C)(C)C1 ZINC001157477346 1033611411 /nfs/dbraw/zinc/61/14/11/1033611411.db2.gz KXCFFJAEXLGSPK-KRWDZBQOSA-N -1 3 394.487 3.616 20 0 GHADHM CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(-c2ccc([O-])cc2F)ncn1 ZINC001206037404 1033696299 /nfs/dbraw/zinc/69/62/99/1033696299.db2.gz HKARQFZEGQTVNM-LFIBNONCSA-N -1 3 396.374 3.941 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229949630 1033811768 /nfs/dbraw/zinc/81/17/68/1033811768.db2.gz CWIFMNSEJOVAIQ-GOSISDBHSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229949630 1033811784 /nfs/dbraw/zinc/81/17/84/1033811784.db2.gz CWIFMNSEJOVAIQ-GOSISDBHSA-N -1 3 393.447 3.738 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001230097075 1033897407 /nfs/dbraw/zinc/89/74/07/1033897407.db2.gz LRHVRBHRJRZESD-JKSUJKDBSA-N -1 3 391.478 3.693 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c([O-])c1 ZINC001158366945 1034046894 /nfs/dbraw/zinc/04/68/94/1034046894.db2.gz LPHRAPXJITTYTP-HNNXBMFYSA-N -1 3 397.425 3.841 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231075337 1034379922 /nfs/dbraw/zinc/37/99/22/1034379922.db2.gz CNYKKIBWKUXJKX-GFCCVEGCSA-N -1 3 377.416 3.643 20 0 GHADHM CCCCOC[C@@H](C)OC[C@H](C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231088339 1034389155 /nfs/dbraw/zinc/38/91/55/1034389155.db2.gz NUGINKQXBJBTIM-OLZOCXBDSA-N -1 3 389.876 3.606 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1CCN(c2ccccc2)CC1 ZINC001231091581 1034393142 /nfs/dbraw/zinc/39/31/42/1034393142.db2.gz XHTFOMUODRMQPD-UHFFFAOYSA-N -1 3 376.840 3.665 20 0 GHADHM O=S(=O)([N-]CCCC1CCCC1)c1ccc(I)s1 ZINC001207876020 1034634355 /nfs/dbraw/zinc/63/43/55/1034634355.db2.gz DYPXRGYMYOEPHD-UHFFFAOYSA-N -1 3 399.319 3.601 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2cn(CC)nc21 ZINC001231522636 1034674091 /nfs/dbraw/zinc/67/40/91/1034674091.db2.gz RPUSJYILPHMSJO-HNNXBMFYSA-N -1 3 383.414 3.763 20 0 GHADHM Cc1ccc([O-])c(CN2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)n1 ZINC001231674350 1034825052 /nfs/dbraw/zinc/82/50/52/1034825052.db2.gz QCGAOHRDYXPJIX-QFIPXVFZSA-N -1 3 388.467 3.766 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cccc(Br)c1F ZINC001208294322 1034850140 /nfs/dbraw/zinc/85/01/40/1034850140.db2.gz BFTOTPQZCLACPF-UHFFFAOYSA-N -1 3 384.270 3.946 20 0 GHADHM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(Br)c(Cl)c1 ZINC001208370146 1034872959 /nfs/dbraw/zinc/87/29/59/1034872959.db2.gz NMCMQTPNYBTINE-UHFFFAOYSA-N -1 3 398.653 3.634 20 0 GHADHM COc1ccc(CN2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cc1C(=O)[O-] ZINC001231753493 1034882707 /nfs/dbraw/zinc/88/27/07/1034882707.db2.gz OXSXOQVZLUNUIH-XXBNENTESA-N -1 3 381.472 3.932 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC001208856619 1035061304 /nfs/dbraw/zinc/06/13/04/1035061304.db2.gz UKAPBXPXMZJPLM-LSDHHAIUSA-N -1 3 385.501 3.743 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)n[n-]2)o1 ZINC001160947835 1035101278 /nfs/dbraw/zinc/10/12/78/1035101278.db2.gz IFLORWNGFURBKF-CYBMUJFWSA-N -1 3 391.472 3.641 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)ccc1Cl ZINC001160948745 1035102225 /nfs/dbraw/zinc/10/22/25/1035102225.db2.gz NAQYAYCKAVMMKW-UHFFFAOYSA-N -1 3 385.855 3.550 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)ccc1Cl ZINC001160948745 1035102230 /nfs/dbraw/zinc/10/22/30/1035102230.db2.gz NAQYAYCKAVMMKW-UHFFFAOYSA-N -1 3 385.855 3.550 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(O)c2ccccc2c1 ZINC001161203426 1035179336 /nfs/dbraw/zinc/17/93/36/1035179336.db2.gz NAHVCVJFUWSWCC-UHFFFAOYSA-N -1 3 380.791 3.942 20 0 GHADHM COC[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001161241365 1035189011 /nfs/dbraw/zinc/18/90/11/1035189011.db2.gz IUFREAWWUXMDIX-QGZVFWFLSA-N -1 3 392.789 3.577 20 0 GHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001209194367 1035206115 /nfs/dbraw/zinc/20/61/15/1035206115.db2.gz IAYFMVKTLCZJJR-CQSZACIVSA-N -1 3 383.311 3.534 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001209665025 1035348267 /nfs/dbraw/zinc/34/82/67/1035348267.db2.gz YUKZIUDUGVFHSK-HZSPNIEDSA-N -1 3 393.530 3.935 20 0 GHADHM O=S(=O)(Cc1ccccc1-c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001241445527 1035584631 /nfs/dbraw/zinc/58/46/31/1035584631.db2.gz QUGOONWFVSKAMA-UHFFFAOYSA-N -1 3 376.441 3.508 20 0 GHADHM O=S(=O)(Cc1ccccc1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001241445527 1035584642 /nfs/dbraw/zinc/58/46/42/1035584642.db2.gz QUGOONWFVSKAMA-UHFFFAOYSA-N -1 3 376.441 3.508 20 0 GHADHM O=C1Cc2c3cc(-c4ccc(-c5nnn[n-]5)cc4)ccc3[nH]c2-c2ncccc2N1 ZINC001241445411 1035584838 /nfs/dbraw/zinc/58/48/38/1035584838.db2.gz MLYZIQSBDVHQBN-UHFFFAOYSA-N -1 3 393.410 3.572 20 0 GHADHM O=C1Cc2c3cc(-c4ccc(-c5nn[n-]n5)cc4)ccc3[nH]c2-c2ncccc2N1 ZINC001241445411 1035584851 /nfs/dbraw/zinc/58/48/51/1035584851.db2.gz MLYZIQSBDVHQBN-UHFFFAOYSA-N -1 3 393.410 3.572 20 0 GHADHM CS(=O)(=O)Nc1ccc2cc(-c3cc(C(F)(F)F)[n-]c(=S)n3)ccc2c1 ZINC001241524553 1035603821 /nfs/dbraw/zinc/60/38/21/1035603821.db2.gz BQSOYXYFUUSKEH-UHFFFAOYSA-N -1 3 399.419 3.976 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccccc2-c2cnco2)no1 ZINC001248249800 1035698281 /nfs/dbraw/zinc/69/82/81/1035698281.db2.gz PJUGCSGPZVRFTJ-HNNXBMFYSA-N -1 3 382.807 3.993 20 0 GHADHM NC(=O)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC001248269898 1035717776 /nfs/dbraw/zinc/71/77/76/1035717776.db2.gz ITGJCRDCVFXPPA-UHFFFAOYSA-N -1 3 393.468 3.879 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccn4cc(N)nc4c3)c2)cc1 ZINC001242909626 1035992668 /nfs/dbraw/zinc/99/26/68/1035992668.db2.gz SLEMEUSSURAHLB-UHFFFAOYSA-N -1 3 378.457 3.693 20 0 GHADHM O=C(c1cccnc1-c1ccc(F)c([O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC001243054835 1036020748 /nfs/dbraw/zinc/02/07/48/1036020748.db2.gz VGKZIWBBYICPAB-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM O=C(Nc1nnc(-c2c(F)cccc2F)s1)c1c[n-]c2ccccc2c1=O ZINC001462064340 1069975442 /nfs/dbraw/zinc/97/54/42/1069975442.db2.gz SDLMJRCWQLQLIK-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM O=C(c1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1)N1CCCCC1 ZINC001243513718 1036187841 /nfs/dbraw/zinc/18/78/41/1036187841.db2.gz JTTSRTBZUUKNCC-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM O=C(c1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1)N1CCCCC1 ZINC001243513718 1036187853 /nfs/dbraw/zinc/18/78/53/1036187853.db2.gz JTTSRTBZUUKNCC-UHFFFAOYSA-N -1 3 385.830 3.952 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001245164128 1036793182 /nfs/dbraw/zinc/79/31/82/1036793182.db2.gz JPVWCSLQOMUDCY-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM Cc1cc(C(=O)OC(C)(C)C(C)(C)O)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001245164128 1036793200 /nfs/dbraw/zinc/79/32/00/1036793200.db2.gz JPVWCSLQOMUDCY-UHFFFAOYSA-N -1 3 398.438 3.688 20 0 GHADHM CC(C)Oc1ccc(Br)cc1-c1noc(C2CC(=O)C=C([O-])C2)n1 ZINC001247547012 1038243423 /nfs/dbraw/zinc/24/34/23/1038243423.db2.gz OWKGSIXJTYRHQD-UHFFFAOYSA-N -1 3 393.237 3.692 20 0 GHADHM COc1c(Br)cccc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247564398 1038249859 /nfs/dbraw/zinc/24/98/59/1038249859.db2.gz HJQZMSBXSCDNPQ-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232936147 1038716371 /nfs/dbraw/zinc/71/63/71/1038716371.db2.gz QDYANYKWNCQKCF-LJQANCHMSA-N -1 3 378.444 3.751 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232935654 1038717001 /nfs/dbraw/zinc/71/70/01/1038717001.db2.gz JORQKFSLJCXPLO-UHFFFAOYSA-N -1 3 398.453 3.961 20 0 GHADHM CN1C[C@@H](c2ccccc2)C2(CCN(Cc3ccc(F)c([O-])c3F)CC2)C1=O ZINC001232937076 1038717722 /nfs/dbraw/zinc/71/77/22/1038717722.db2.gz YVTDDGGZYNAIJH-KRWDZBQOSA-N -1 3 386.442 3.508 20 0 GHADHM [O-]c1cccc(CN2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1F ZINC001233052153 1038808597 /nfs/dbraw/zinc/80/85/97/1038808597.db2.gz ZUDOPZHVMDRDDJ-SFHVURJKSA-N -1 3 385.483 3.664 20 0 GHADHM COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001252263910 1038916217 /nfs/dbraw/zinc/91/62/17/1038916217.db2.gz NQJYUHBIWXHDDD-OAHLLOKOSA-N -1 3 391.471 3.976 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396532 1039230614 /nfs/dbraw/zinc/23/06/14/1039230614.db2.gz IDKBPDBCVGPQHI-HKUYNNGSSA-N -1 3 375.415 3.982 20 0 GHADHM COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(Cl)c1[O-] ZINC001233397584 1039232655 /nfs/dbraw/zinc/23/26/55/1039232655.db2.gz FTHWXAPTXADGJW-CYBMUJFWSA-N -1 3 384.904 3.743 20 0 GHADHM [O-]c1ccc(F)c(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1F ZINC001233396955 1039233923 /nfs/dbraw/zinc/23/39/23/1039233923.db2.gz FOIKAZFKMZDQME-UHFFFAOYSA-N -1 3 388.336 3.891 20 0 GHADHM COc1ccc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(Cl)c1[O-] ZINC001233398806 1039236476 /nfs/dbraw/zinc/23/64/76/1039236476.db2.gz ZQEJZLNGALCPKA-YRISNDGFSA-N -1 3 395.927 3.993 20 0 GHADHM COc1ccc(CN2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c(Cl)c1[O-] ZINC001233399510 1039238615 /nfs/dbraw/zinc/23/86/15/1039238615.db2.gz ZEBOBZVBNVLMIO-BRWVUGGUSA-N -1 3 383.916 3.849 20 0 GHADHM COc1cccc(O[C@@H]2CCCN(Cc3ccc(OC)c([O-])c3Cl)C2)n1 ZINC001233401986 1039246096 /nfs/dbraw/zinc/24/60/96/1039246096.db2.gz WTTDQIRQXVNJGT-CQSZACIVSA-N -1 3 378.856 3.501 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)OC(C)(C)C ZINC001233591545 1039463969 /nfs/dbraw/zinc/46/39/69/1039463969.db2.gz GYSQUOVJIOSZTH-YSVLISHTSA-N -1 3 383.872 3.900 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2c([O-])cc(F)cc2F)cc1 ZINC001253426105 1039622258 /nfs/dbraw/zinc/62/22/58/1039622258.db2.gz OSJFOUCLFCOKBQ-HNNXBMFYSA-N -1 3 379.403 3.598 20 0 GHADHM COC(=O)[C@@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-])C(F)(F)F ZINC001234380158 1039991565 /nfs/dbraw/zinc/99/15/65/1039991565.db2.gz SFPVEOJSPAJPCY-QGZVFWFLSA-N -1 3 394.301 3.648 20 0 GHADHM COC[C@H](C)OC[C@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234382220 1039992850 /nfs/dbraw/zinc/99/28/50/1039992850.db2.gz SYXJOMPHOWAMDE-GJZGRUSLSA-N -1 3 384.428 3.984 20 0 GHADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001234448923 1040040613 /nfs/dbraw/zinc/04/06/13/1040040613.db2.gz YRSGGGOOVOHXKU-QGZVFWFLSA-N -1 3 389.814 3.517 20 0 GHADHM O=C(OCc1ccccc1)C1CC(Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234690184 1040222635 /nfs/dbraw/zinc/22/26/35/1040222635.db2.gz ZUSKDPACYOBOHM-UHFFFAOYSA-N -1 3 376.412 3.750 20 0 GHADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001234693596 1040226472 /nfs/dbraw/zinc/22/64/72/1040226472.db2.gz ZPTMQURRIKTZGX-YLJYHZDGSA-N -1 3 391.471 3.518 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4c(cn3)OCCC4)nc(=O)c2c1C ZINC001254459435 1040247285 /nfs/dbraw/zinc/24/72/85/1040247285.db2.gz IHHGICVBUDUHGM-JTQLQIEISA-N -1 3 385.445 3.652 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)c1 ZINC001254794582 1040555878 /nfs/dbraw/zinc/55/58/78/1040555878.db2.gz XGUSSCDYAXMVOG-UHFFFAOYSA-N -1 3 380.510 3.797 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3)c(OC)c2)cc1 ZINC001255217209 1040910773 /nfs/dbraw/zinc/91/07/73/1040910773.db2.gz IBCOGDFVMWGYIN-UHFFFAOYSA-N -1 3 385.489 3.943 20 0 GHADHM COC(=O)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC001255588420 1041148485 /nfs/dbraw/zinc/14/84/85/1041148485.db2.gz REEUPYNYEJBTOK-GOSISDBHSA-N -1 3 380.799 3.965 20 0 GHADHM CCOC(=O)c1ccc(-c2nnc(-c3cc(F)cc(Br)c3)o2)[n-]1 ZINC001255952315 1041433793 /nfs/dbraw/zinc/43/37/93/1041433793.db2.gz LRTNRUKTSGROFF-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1nccs1)c1ccc(F)cc1F ZINC001256102051 1041528785 /nfs/dbraw/zinc/52/87/85/1041528785.db2.gz GZFGWJWWTXHYSH-HNNXBMFYSA-N -1 3 380.441 3.684 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c(C)cc1Cl ZINC001256195681 1041640662 /nfs/dbraw/zinc/64/06/62/1041640662.db2.gz JFMZRBWPTBYPRX-UHFFFAOYSA-N -1 3 394.924 3.590 20 0 GHADHM COc1cc(CNS(=O)(=O)c2cc(C)c(Cl)cc2C)cc(Cl)c1[O-] ZINC001256224958 1041661043 /nfs/dbraw/zinc/66/10/43/1041661043.db2.gz YELVMRXOVFSJKW-UHFFFAOYSA-N -1 3 390.288 3.803 20 0 GHADHM O=C(C1CCN(Cc2ccc(Br)c([O-])c2)CC1)N1CCCCCC1 ZINC001236683789 1041829238 /nfs/dbraw/zinc/82/92/38/1041829238.db2.gz FTJHFHHPMSSHEG-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM CC[C@@H]1N(Cc2ccc(Br)c([O-])c2)CCC[C@]12CCC(=O)N2C ZINC001236684079 1041830496 /nfs/dbraw/zinc/83/04/96/1041830496.db2.gz JDMPCOONRYEQIF-WMZOPIPTSA-N -1 3 381.314 3.520 20 0 GHADHM [O-]c1cc(CN2CCC(Oc3ccc(F)cn3)CC2)ccc1Br ZINC001236696570 1041837989 /nfs/dbraw/zinc/83/79/89/1041837989.db2.gz UYIFBYWBUUJUHH-UHFFFAOYSA-N -1 3 381.245 3.732 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3ccc(F)c([O-])c3)CC2)cc1 ZINC001236708769 1041845795 /nfs/dbraw/zinc/84/57/95/1041845795.db2.gz TUMGACONBRGHJK-UHFFFAOYSA-N -1 3 386.467 3.809 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(F)c([O-])c2)C[C@H]1C(F)(F)F ZINC001236709377 1041846318 /nfs/dbraw/zinc/84/63/18/1041846318.db2.gz YFTFDJYZKFEHGI-OCCSQVGLSA-N -1 3 392.393 3.809 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c([O-])c2)C[C@@H]1C(F)(F)F ZINC001236713066 1041848964 /nfs/dbraw/zinc/84/89/64/1041848964.db2.gz MCXGJVGAPNJVLZ-CQSZACIVSA-N -1 3 378.366 3.515 20 0 GHADHM O=S(=O)([N-]c1cccc2c1CNC2)c1ccc(Br)cc1Cl ZINC001237705225 1042333916 /nfs/dbraw/zinc/33/39/16/1042333916.db2.gz DZECMSHMWFHMCC-UHFFFAOYSA-N -1 3 387.686 3.507 20 0 GHADHM COc1ccc(COc2cccc([N-]S(=O)(=O)c3ccc(N)cc3)c2)cc1 ZINC001237741974 1042347969 /nfs/dbraw/zinc/34/79/69/1042347969.db2.gz NLGOQQZZUUBFBK-UHFFFAOYSA-N -1 3 384.457 3.657 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001237991398 1042447116 /nfs/dbraw/zinc/44/71/16/1042447116.db2.gz HWXYXONQAOIWIC-CZUORRHYSA-N -1 3 381.904 3.738 20 0 GHADHM O=C1NC[C@H](c2ccccc2)C12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001237992812 1042447727 /nfs/dbraw/zinc/44/77/27/1042447727.db2.gz SMMYBQIZNSXHOC-MRXNPFEDSA-N -1 3 388.870 3.681 20 0 GHADHM CN(Cc1cc(F)c([O-])c(Cl)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237993542 1042448484 /nfs/dbraw/zinc/44/84/84/1042448484.db2.gz STRCDOYGMNLPPB-QGZVFWFLSA-N -1 3 378.875 3.518 20 0 GHADHM [O-]c1cc(F)c(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001238146647 1042504179 /nfs/dbraw/zinc/50/41/79/1042504179.db2.gz JJTKTMVROOSOLG-DOTOQJQBSA-N -1 3 394.849 3.661 20 0 GHADHM O=C1N(CC(F)(F)F)CCC12CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001238153485 1042506148 /nfs/dbraw/zinc/50/61/48/1042506148.db2.gz CMRKJDQUQRNYNC-UHFFFAOYSA-N -1 3 394.796 3.562 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238233188 1042526641 /nfs/dbraw/zinc/52/66/41/1042526641.db2.gz JDLYODJNFZIDGI-NRFANRHFSA-N -1 3 392.471 3.747 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233454 1042527678 /nfs/dbraw/zinc/52/76/78/1042527678.db2.gz METVXTMTDUFMBK-KGLIPLIRSA-N -1 3 380.460 3.649 20 0 GHADHM CCOC(=O)C[C@H]1CCN(Cc2c(Br)ccc([O-])c2F)C[C@@H]1C ZINC001238313571 1042552792 /nfs/dbraw/zinc/55/27/92/1042552792.db2.gz WWQQJDVEOMPDJX-NWDGAFQWSA-N -1 3 388.277 3.705 20 0 GHADHM COc1ccc(CC[C@H](C)NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001292281787 1043662097 /nfs/dbraw/zinc/66/20/97/1043662097.db2.gz NZJYNOJASIXPOM-LBPRGKRZSA-N -1 3 386.398 3.566 20 0 GHADHM COc1cc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1 ZINC001257276805 1043953300 /nfs/dbraw/zinc/95/33/00/1043953300.db2.gz UAQASHCBNYFVCY-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1Cl)c1cccc(Cl)c1Cl ZINC001257289199 1043958322 /nfs/dbraw/zinc/95/83/22/1043958322.db2.gz VFJQCGQVRWOEDV-NSHDSACASA-N -1 3 394.707 3.529 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC001257306106 1043961047 /nfs/dbraw/zinc/96/10/47/1043961047.db2.gz GWUBGUYNDDKHOR-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)o2)cc1 ZINC001257341022 1043967884 /nfs/dbraw/zinc/96/78/84/1043967884.db2.gz GBLUXCHYUUEOLQ-HUUCEWRRSA-N -1 3 387.436 3.827 20 0 GHADHM Cc1cc(C)n(Cc2cccc(-c3nnc(-c4c(C)cc(O)cc4[O-])o3)c2)n1 ZINC001257484473 1044013635 /nfs/dbraw/zinc/01/36/35/1044013635.db2.gz VIIUYVAAISTQGV-UHFFFAOYSA-N -1 3 376.416 3.985 20 0 GHADHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC001257628551 1044092654 /nfs/dbraw/zinc/09/26/54/1044092654.db2.gz UFMRHSOWABMXGW-UHFFFAOYSA-N -1 3 385.844 3.694 20 0 GHADHM O=S(=O)([N-][C@H](CO)Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC001257775936 1044166153 /nfs/dbraw/zinc/16/61/53/1044166153.db2.gz PMMMDPXYKCLTMK-LBPRGKRZSA-N -1 3 394.707 3.529 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(Cc2cccc3ccccc32)o1 ZINC001257856268 1044224205 /nfs/dbraw/zinc/22/42/05/1044224205.db2.gz DUSVRNQJRXRQSL-CYBMUJFWSA-N -1 3 399.497 3.915 20 0 GHADHM CC(C)NC(=O)N1CC2(C1)CCCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001279082845 1044469706 /nfs/dbraw/zinc/46/97/06/1044469706.db2.gz YWFSTPZRGVTXON-UHFFFAOYSA-N -1 3 386.323 3.715 20 0 GHADHM CC(C)CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2O)o1 ZINC001258356826 1044521644 /nfs/dbraw/zinc/52/16/44/1044521644.db2.gz NKNJMUFOWVWSBU-UHFFFAOYSA-N -1 3 387.461 3.832 20 0 GHADHM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001294217785 1044530180 /nfs/dbraw/zinc/53/01/80/1044530180.db2.gz CQTAKWIAIASQMW-UHFFFAOYSA-N -1 3 376.412 3.719 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)o1 ZINC001462857280 1070601959 /nfs/dbraw/zinc/60/19/59/1070601959.db2.gz DEPVLWYBUAFSQL-WCBMZHEXSA-N -1 3 394.802 3.949 20 0 GHADHM CC1(C)CC[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)[C@@H](c2ccccc2)C1 ZINC001294909704 1044837124 /nfs/dbraw/zinc/83/71/24/1044837124.db2.gz WXUROAMSNIVMIP-NHCUHLMSSA-N -1 3 394.515 3.848 20 0 GHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1Br ZINC001258921206 1044878661 /nfs/dbraw/zinc/87/86/61/1044878661.db2.gz KNYLRGVDWKWMIO-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC001259046034 1044933962 /nfs/dbraw/zinc/93/39/62/1044933962.db2.gz GEZMSRPNIBRZCZ-UHFFFAOYSA-N -1 3 389.864 3.915 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cc(F)cc2F)c1ccc(Br)s1 ZINC001259060527 1044942000 /nfs/dbraw/zinc/94/20/00/1044942000.db2.gz SXOWRUKREMRURA-LLVKDONJSA-N -1 3 394.262 3.755 20 0 GHADHM Cc1cccc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259079067 1044950269 /nfs/dbraw/zinc/95/02/69/1044950269.db2.gz SVWMDMSUYXTOHN-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cccc3cnccc32)c(Cl)c(OC)c1 ZINC001259157434 1044983137 /nfs/dbraw/zinc/98/31/37/1044983137.db2.gz BAXMDWIGBXSJGC-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2F)cc1 ZINC001259177107 1044992938 /nfs/dbraw/zinc/99/29/38/1044992938.db2.gz ALCHQJFJGFDRBJ-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1Br ZINC001259204366 1045007075 /nfs/dbraw/zinc/00/70/75/1045007075.db2.gz MZHFUAODCPULCQ-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2F)cc1 ZINC001259324897 1045077557 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O=C(Nc1ccc(S(=O)(=O)[N-]c2cnccc2Cl)cc1)N1CCCCC1 ZINC001259544060 1045227289 /nfs/dbraw/zinc/22/72/89/1045227289.db2.gz KWRJBWWDYCJKMN-UHFFFAOYSA-N -1 3 394.884 3.554 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)CC2CCCCC2)cc(C(F)(F)F)c1 ZINC001259619878 1045246957 /nfs/dbraw/zinc/24/69/57/1045246957.db2.gz NRCWHJMKNOZOKW-UHFFFAOYSA-N -1 3 379.400 3.814 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1ccccc1)c1cccc2ccccc21 ZINC001259740049 1045281721 /nfs/dbraw/zinc/28/17/21/1045281721.db2.gz CZSFGIVTDXNMOB-OAQYLSRUSA-N -1 3 397.496 3.606 20 0 GHADHM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(I)cc1[O-] ZINC001296291383 1045296688 /nfs/dbraw/zinc/29/66/88/1045296688.db2.gz KLCUWLBSGRTALL-UHFFFAOYSA-N -1 3 386.189 3.669 20 0 GHADHM CCOC(=O)c1c([N-]S(=O)(=O)C2CCCC2)c(C)cn1Cc1ccccc1 ZINC001259793982 1045306656 /nfs/dbraw/zinc/30/66/56/1045306656.db2.gz QLUSONYHUBNTJY-UHFFFAOYSA-N -1 3 390.505 3.706 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(OC)ccc2Br)c1 ZINC001296417912 1045312034 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GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Br)n1 ZINC001260004821 1045351731 /nfs/dbraw/zinc/35/17/31/1045351731.db2.gz AXEXVPGCWSNGTR-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM C[C@H](Nc1ncnc2ccc(Br)cc21)c1nc(C(F)(F)F)n[n-]1 ZINC001307218842 1045383915 /nfs/dbraw/zinc/38/39/15/1045383915.db2.gz CXFDJCDAXNLYGY-LURJTMIESA-N -1 3 387.163 3.702 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-][C@@H](c1ccc(O)cc1)C(F)(F)F ZINC001260137109 1045391783 /nfs/dbraw/zinc/39/17/83/1045391783.db2.gz YBOUVWNJBHHCDH-KRWDZBQOSA-N -1 3 396.390 3.831 20 0 GHADHM COc1cccc(C)c1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001297149710 1045465279 /nfs/dbraw/zinc/46/52/79/1045465279.db2.gz DOVNOWGKKXJGGZ-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM Cc1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC001297159496 1045467997 /nfs/dbraw/zinc/46/79/97/1045467997.db2.gz YYIDXYXPHUGMCW-VIFPVBQESA-N -1 3 385.645 3.918 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1[O-] ZINC001297282569 1045492128 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GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CNC(=O)N3C)cc1 ZINC001260569354 1045553146 /nfs/dbraw/zinc/55/31/46/1045553146.db2.gz CAXSEPANARZCGY-UHFFFAOYSA-N -1 3 387.505 3.880 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1 ZINC001260569533 1045555226 /nfs/dbraw/zinc/55/52/26/1045555226.db2.gz AKTJWEWXQHGSRI-UHFFFAOYSA-N -1 3 384.505 3.860 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(CC(=O)OC)c2)cc1 ZINC001260577558 1045564594 /nfs/dbraw/zinc/56/45/94/1045564594.db2.gz QVHLOLBRTPCKCA-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)OC)cc2)cc1 ZINC001260577514 1045564965 /nfs/dbraw/zinc/56/49/65/1045564965.db2.gz PXTIRLGCYPHDEQ-OAHLLOKOSA-N -1 3 391.489 3.943 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)nc2Br)s1 ZINC001260679484 1045601011 /nfs/dbraw/zinc/60/10/11/1045601011.db2.gz PQGMVDSBHAISIU-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(Cn4ccnc4)cc3)ccc2O1 ZINC001260717862 1045623185 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GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3)cc2)cc1Cl ZINC001260972569 1045789935 /nfs/dbraw/zinc/78/99/35/1045789935.db2.gz RYFUTYYVZXBWNN-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC001261013809 1045836860 /nfs/dbraw/zinc/83/68/60/1045836860.db2.gz IZTCODZMIPVAJE-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1Br ZINC001261029948 1045854608 /nfs/dbraw/zinc/85/46/08/1045854608.db2.gz BDVGGCVDRDZLGB-UHFFFAOYSA-N -1 3 386.315 3.887 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(F)c1 ZINC001261048404 1045867528 /nfs/dbraw/zinc/86/75/28/1045867528.db2.gz ZMTHZHXIMJADBH-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM CN1CCc2c([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)cccc2C1=O ZINC001261081918 1045896654 /nfs/dbraw/zinc/89/66/54/1045896654.db2.gz NKOICJOGZPGDGP-UHFFFAOYSA-N -1 3 399.299 3.563 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001298995509 1045995294 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GHADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463101082 1070794531 /nfs/dbraw/zinc/79/45/31/1070794531.db2.gz VZYYNKCMOKMBJQ-YJBOKZPZSA-N -1 3 394.562 3.930 20 0 GHADHM O=C([N-][C@@H](CO)[C@@H](O)C1CCCCC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001301845465 1046728757 /nfs/dbraw/zinc/72/87/57/1046728757.db2.gz GKDVZFRFOGDLGS-GJZGRUSLSA-N -1 3 396.261 3.504 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC001301885005 1046747113 /nfs/dbraw/zinc/74/71/13/1046747113.db2.gz NDMMVNHVPDZOMX-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(Br)c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC001301885005 1046747126 /nfs/dbraw/zinc/74/71/26/1046747126.db2.gz NDMMVNHVPDZOMX-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC001301892339 1046748192 /nfs/dbraw/zinc/74/81/92/1046748192.db2.gz JZYZQVSEDDKHJQ-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC001301892339 1046748205 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GHADHM C[C@@H](Oc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cn1)c1ccccc1 ZINC001303518225 1047410302 /nfs/dbraw/zinc/41/03/02/1047410302.db2.gz FNUNDCLVMHODBL-CQSZACIVSA-N -1 3 390.443 3.525 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)C/C=C\c3ccc(C(C)C)cc3)C2)n1 ZINC001303598205 1047443604 /nfs/dbraw/zinc/44/36/04/1047443604.db2.gz UGUSANVYPCRMHF-RDBXKPKDSA-N -1 3 394.519 3.803 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1cccc(Br)c1F ZINC001463216388 1070916483 /nfs/dbraw/zinc/91/64/83/1070916483.db2.gz SMHRLHMLWUPGAP-AAEUAGOBSA-N -1 3 376.291 3.835 20 0 GHADHM O=c1cccc(CN2C[C@H]3C[C@@H](C2)N(Cc2cc(Cl)c([O-])c(Cl)c2)C3)[nH]1 ZINC001279325823 1047769153 /nfs/dbraw/zinc/76/91/53/1047769153.db2.gz ZASBSILWVPWSCN-HIFRSBDPSA-N -1 3 394.302 3.506 20 0 GHADHM C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C ZINC000749913906 1047874156 /nfs/dbraw/zinc/87/41/56/1047874156.db2.gz VVPDWOUYSVULFD-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM 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3 396.394 3.690 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CSc3ccc(Br)cc3)n[n-]2)o1 ZINC001319367970 1055207890 /nfs/dbraw/zinc/20/78/90/1055207890.db2.gz CIQULJKGHSAEFF-UHFFFAOYSA-N -1 3 393.266 3.866 20 0 GHADHM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001319840638 1055499978 /nfs/dbraw/zinc/49/99/78/1055499978.db2.gz IZFGUAHQXYNWRZ-UHFFFAOYSA-N -1 3 393.405 3.949 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c([O-])c1 ZINC001319984237 1055579206 /nfs/dbraw/zinc/57/92/06/1055579206.db2.gz WXXOBIABKBROCZ-UHFFFAOYSA-N -1 3 382.416 3.881 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1cccc2ccsc21 ZINC001320088423 1055648303 /nfs/dbraw/zinc/64/83/03/1055648303.db2.gz BKBYNHSLSXNZTF-UHFFFAOYSA-N -1 3 393.465 3.734 20 0 GHADHM CS[C@@H]1CC[C@@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001320819764 1055974024 /nfs/dbraw/zinc/97/40/24/1055974024.db2.gz MNNJDOJAKXJXSN-VXGBXAGGSA-N -1 3 395.322 3.647 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001321873383 1056427226 /nfs/dbraw/zinc/42/72/26/1056427226.db2.gz FWELOHIEEVVFNJ-UHFFFAOYSA-N -1 3 391.874 3.844 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2cc3ccccc3o2)o1 ZINC001322477772 1056723216 /nfs/dbraw/zinc/72/32/16/1056723216.db2.gz VXOIFWSUGORALE-JTQLQIEISA-N -1 3 375.431 3.584 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)c1nnc(-c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC001322487378 1056726586 /nfs/dbraw/zinc/72/65/86/1056726586.db2.gz UFABIYCLAQTCNB-LLVKDONJSA-N -1 3 393.852 3.902 20 0 GHADHM Cc1ccccc1Oc1ccccc1CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001322562789 1056755637 /nfs/dbraw/zinc/75/56/37/1056755637.db2.gz MLBCJKYPFZMTHB-UHFFFAOYSA-N -1 3 377.444 3.840 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CCc1c(C)nc[n-]c1=O ZINC001322769328 1056842313 /nfs/dbraw/zinc/84/23/13/1056842313.db2.gz OHGGPFWQFKGSDC-DZGCQCFKSA-N -1 3 385.464 3.507 20 0 GHADHM CC(C)n1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)CCC2 ZINC001323594654 1056989183 /nfs/dbraw/zinc/98/91/83/1056989183.db2.gz FONWQUOPSCKWEH-LBPRGKRZSA-N -1 3 389.308 3.522 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001355286667 1057106906 /nfs/dbraw/zinc/10/69/06/1057106906.db2.gz ZXNANMUTLNRBCX-SFHVURJKSA-N -1 3 398.894 3.537 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)nc1Cl ZINC001324439413 1057135763 /nfs/dbraw/zinc/13/57/63/1057135763.db2.gz WQKRPSGWCPXRDR-UHFFFAOYSA-N -1 3 397.831 3.566 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1coc2ccc(Cl)cc12 ZINC001355660397 1057243622 /nfs/dbraw/zinc/24/36/22/1057243622.db2.gz TWEMGEHZSSYENT-UHFFFAOYSA-N -1 3 396.827 3.527 20 0 GHADHM [O-]c1cccc(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1Br ZINC001325013514 1057263560 /nfs/dbraw/zinc/26/35/60/1057263560.db2.gz QHODQHSDCKHUAN-DZGCQCFKSA-N -1 3 398.322 3.541 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(n3)CCCN4)nc(=O)c2c1C ZINC000848792667 1057309175 /nfs/dbraw/zinc/30/91/75/1057309175.db2.gz AIXUAYUOVRYCSS-SNVBAGLBSA-N -1 3 384.461 3.685 20 0 GHADHM COc1cc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc(OC)c1[O-] ZINC001325488769 1057333748 /nfs/dbraw/zinc/33/37/48/1057333748.db2.gz FNPPFBPJWRSYRC-UHFFFAOYSA-N -1 3 390.867 3.780 20 0 GHADHM C[C@@H]1CC[C@@](C)(/C=C\C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1(C)C ZINC001325628018 1057347675 /nfs/dbraw/zinc/34/76/75/1057347675.db2.gz QDNXAPHHLMASTO-LQLNPQEYSA-N -1 3 396.528 3.832 20 0 GHADHM O=S(=O)(Nc1ccc(Br)c([O-])c1)C1=Cc2ccccc2CC1 ZINC001326242186 1057440848 /nfs/dbraw/zinc/44/08/48/1057440848.db2.gz PNOPGCNWFFINRT-UHFFFAOYSA-N -1 3 380.263 3.884 20 0 GHADHM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)CCc1c(C)nc[n-]c1=O ZINC001326636610 1057526476 /nfs/dbraw/zinc/52/64/76/1057526476.db2.gz KNJSJFYZLDEICJ-UHFFFAOYSA-N -1 3 381.398 3.533 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC)cc3OC(C)C)nc21 ZINC001439997637 1058381227 /nfs/dbraw/zinc/38/12/27/1058381227.db2.gz NMCVCNWKKVNMGZ-UHFFFAOYSA-N -1 3 397.431 3.788 20 0 GHADHM CS(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SC(F)F)c(Cl)cn1 ZINC001440657075 1058563172 /nfs/dbraw/zinc/56/31/72/1058563172.db2.gz CEKPOKGKEUEKGO-UHFFFAOYSA-N -1 3 392.836 3.706 20 0 GHADHM CCOc1ccc([C@H](NC(=O)c2cccc3n[n-]nc32)C(C)C)cc1OCC ZINC001440701608 1058587202 /nfs/dbraw/zinc/58/72/02/1058587202.db2.gz INYMOWZJQUKZNH-LJQANCHMSA-N -1 3 382.464 3.882 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001440938377 1058662682 /nfs/dbraw/zinc/66/26/82/1058662682.db2.gz LJXKSHHLHLQPKI-UHFFFAOYSA-N -1 3 386.411 3.810 20 0 GHADHM C[C@@H]1CCC[C@H](CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001442261917 1058940959 /nfs/dbraw/zinc/94/09/59/1058940959.db2.gz LHUAFXMUDSVWPG-NEPJUHHUSA-N -1 3 377.282 3.847 20 0 GHADHM Cc1[nH]c2ccc(CNC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)cc2c1C ZINC001442408294 1058960056 /nfs/dbraw/zinc/96/00/56/1058960056.db2.gz QYJPKSNCEHGRFC-UHFFFAOYSA-N -1 3 381.382 3.834 20 0 GHADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1NC(=O)c1ccncc1 ZINC001442465222 1058963866 /nfs/dbraw/zinc/96/38/66/1058963866.db2.gz JZIXELHISNQPJM-UHFFFAOYSA-N -1 3 379.391 3.668 20 0 GHADHM Cn1ccnc1[C@@H]([N-]C(=O)c1cc(C(F)(F)F)cnc1Cl)C(F)(F)F ZINC001339306122 1059091767 /nfs/dbraw/zinc/09/17/67/1059091767.db2.gz AWNQJUDEGSIVBI-MRVPVSSYSA-N -1 3 386.683 3.521 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001443298794 1059101089 /nfs/dbraw/zinc/10/10/89/1059101089.db2.gz CTDWVCZBNYUWCB-TZIWHRDSSA-N -1 3 394.515 3.738 20 0 GHADHM O=C(Nc1nc(-c2ccccn2)cs1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001443366557 1059114782 /nfs/dbraw/zinc/11/47/82/1059114782.db2.gz CSHUFGVWYZTCFM-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001339478626 1059243754 /nfs/dbraw/zinc/24/37/54/1059243754.db2.gz ZSUIQJVDRHIZBE-LJQANCHMSA-N -1 3 392.956 3.683 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)cs1)c1cc([O-])cc(Br)c1 ZINC001444631871 1059354157 /nfs/dbraw/zinc/35/41/57/1059354157.db2.gz DUMGNZVBAWSFDS-UHFFFAOYSA-N -1 3 381.173 3.560 20 0 GHADHM CO[C@H](CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001444752696 1059375136 /nfs/dbraw/zinc/37/51/36/1059375136.db2.gz MQRCHAZRIXIJOU-QGZVFWFLSA-N -1 3 392.789 3.577 20 0 GHADHM Cc1ccc(N2CCC[C@H](NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)cc1 ZINC001444789504 1059379502 /nfs/dbraw/zinc/37/95/02/1059379502.db2.gz XZKPSIXAFICCTL-HNNXBMFYSA-N -1 3 397.425 3.514 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340174317 1059742012 /nfs/dbraw/zinc/74/20/12/1059742012.db2.gz MZAHBPHKTSWDKG-AWEZNQCLSA-N -1 3 399.532 3.745 20 0 GHADHM COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(=O)[n-]cn2)c1 ZINC001446788993 1059857350 /nfs/dbraw/zinc/85/73/50/1059857350.db2.gz RHVRPDXUUMEKAX-WIYYLYMNSA-N -1 3 375.428 3.562 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCO1 ZINC001446979526 1059911583 /nfs/dbraw/zinc/91/15/83/1059911583.db2.gz GPHMHOYZDMOREP-GUYCJALGSA-N -1 3 378.419 3.520 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCO1 ZINC001446979525 1059911801 /nfs/dbraw/zinc/91/18/01/1059911801.db2.gz GPHMHOYZDMOREP-DYVFJYSZSA-N -1 3 378.419 3.520 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(Cl)c2)c([O-])c1 ZINC001447062529 1059924052 /nfs/dbraw/zinc/92/40/52/1059924052.db2.gz PTLYWLQCFKXXRC-UHFFFAOYSA-N -1 3 377.824 3.802 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2NCC(F)(F)F)c([O-])c1 ZINC001447077450 1059926226 /nfs/dbraw/zinc/92/62/26/1059926226.db2.gz FIBWUNSDYZFUKH-UHFFFAOYSA-N -1 3 382.338 3.795 20 0 GHADHM CCc1cccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1[O-] ZINC001447434792 1059964553 /nfs/dbraw/zinc/96/45/53/1059964553.db2.gz LFCQOCVNQYWAHE-FXAWDEMLSA-N -1 3 381.472 3.736 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cc(F)c(F)c(F)c1 ZINC001447623026 1059988785 /nfs/dbraw/zinc/98/87/85/1059988785.db2.gz GZUWGJMFCWZNAX-UHFFFAOYSA-N -1 3 393.102 3.666 20 0 GHADHM O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001447795449 1060035072 /nfs/dbraw/zinc/03/50/72/1060035072.db2.gz VDHINCVGYIDUHV-UHFFFAOYSA-N -1 3 386.404 3.819 20 0 GHADHM C[C@H](CCOCc1ccccc1)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450797660 1060692642 /nfs/dbraw/zinc/69/26/42/1060692642.db2.gz RHFXFCHNWUODFN-CQSZACIVSA-N -1 3 384.863 3.907 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)COc2cc(Cl)ccc2Cl)[n-]n1 ZINC001452102326 1060901773 /nfs/dbraw/zinc/90/17/73/1060901773.db2.gz CFUGMIIUQGXXSB-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)COc2cc(Cl)ccc2Cl)n[n-]1 ZINC001452102326 1060901775 /nfs/dbraw/zinc/90/17/75/1060901775.db2.gz CFUGMIIUQGXXSB-UHFFFAOYSA-N -1 3 386.235 3.689 20 0 GHADHM O=C(c1cccc2c(Br)cccc12)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452723301 1060993885 /nfs/dbraw/zinc/99/38/85/1060993885.db2.gz CPLFKXRPQVTOSB-NSHDSACASA-N -1 3 386.249 3.661 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001452723550 1060994193 /nfs/dbraw/zinc/99/41/93/1060994193.db2.gz SXNHPYYYHKIHKU-UHFFFAOYSA-N -1 3 393.877 3.799 20 0 GHADHM O=C(Nc1cncc2c1CCCC2)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001453391764 1061121540 /nfs/dbraw/zinc/12/15/40/1061121540.db2.gz BSTQZWUCSLAUHQ-UHFFFAOYSA-N -1 3 375.428 3.898 20 0 GHADHM COc1ccc([C@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c(OC)c1 ZINC001453637546 1061173133 /nfs/dbraw/zinc/17/31/33/1061173133.db2.gz ZIYLEZBVOKXAKY-NSHDSACASA-N -1 3 386.835 3.690 20 0 GHADHM Cc1ccc([C@@H]2CCCN2c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)cc1 ZINC001346100458 1061361069 /nfs/dbraw/zinc/36/10/69/1061361069.db2.gz CXVAPSYRUOVIOQ-IBGZPJMESA-N -1 3 390.491 3.809 20 0 GHADHM CCc1ccsc1C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001454629216 1061888913 /nfs/dbraw/zinc/88/89/13/1061888913.db2.gz JVKPFRMJKBQAPN-UHFFFAOYSA-N -1 3 384.461 3.855 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001454733242 1061927376 /nfs/dbraw/zinc/92/73/76/1061927376.db2.gz OXXBUYNBDDILGI-HNNXBMFYSA-N -1 3 394.487 3.616 20 0 GHADHM O=C(C[C@@H]1CC=CCC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454926289 1061957634 /nfs/dbraw/zinc/95/76/34/1061957634.db2.gz KEMDRBFXSVWOHI-HUUCEWRRSA-N -1 3 380.410 3.932 20 0 GHADHM COc1nnc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)[n-]1 ZINC001545818532 1062021900 /nfs/dbraw/zinc/02/19/00/1062021900.db2.gz HWHMIDPOGDLTGY-UHFFFAOYSA-N -1 3 384.339 3.693 20 0 GHADHM COc1nc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)n[n-]1 ZINC001545818532 1062021925 /nfs/dbraw/zinc/02/19/25/1062021925.db2.gz HWHMIDPOGDLTGY-UHFFFAOYSA-N -1 3 384.339 3.693 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)n1 ZINC001545818532 1062021949 /nfs/dbraw/zinc/02/19/49/1062021949.db2.gz HWHMIDPOGDLTGY-UHFFFAOYSA-N -1 3 384.339 3.693 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001455268781 1062082927 /nfs/dbraw/zinc/08/29/27/1062082927.db2.gz YVTRCCJQORSUOD-MRXNPFEDSA-N -1 3 377.444 3.811 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(OCC2CCCCC2)cc1 ZINC001455664239 1062252075 /nfs/dbraw/zinc/25/20/75/1062252075.db2.gz MTJRLZOEWCMSLU-UHFFFAOYSA-N -1 3 381.476 3.949 20 0 GHADHM CCCCc1ccc(C(=O)CCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001455662775 1062252301 /nfs/dbraw/zinc/25/23/01/1062252301.db2.gz KCAFERFFGVPDRI-UHFFFAOYSA-N -1 3 381.476 3.682 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)/C=C/[C@]3(C)CC[C@@H](C)C3(C)C)CC2)n1 ZINC001347420951 1062372739 /nfs/dbraw/zinc/37/27/39/1062372739.db2.gz CQRHRRONJXGTAV-STCCMELNSA-N -1 3 386.540 3.594 20 0 GHADHM COc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(OCCC(C)C)c1 ZINC001456327864 1062615599 /nfs/dbraw/zinc/61/55/99/1062615599.db2.gz DKTKHLXOPPQEDI-UHFFFAOYSA-N -1 3 389.452 3.661 20 0 GHADHM COc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(OCCC(C)C)c1 ZINC001456327864 1062615617 /nfs/dbraw/zinc/61/56/17/1062615617.db2.gz DKTKHLXOPPQEDI-UHFFFAOYSA-N -1 3 389.452 3.661 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC001456381179 1062649438 /nfs/dbraw/zinc/64/94/38/1062649438.db2.gz GMHBODMWGLQQHB-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM Cc1ccc(C)n1-c1sccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456388678 1062655297 /nfs/dbraw/zinc/65/52/97/1062655297.db2.gz UNSMWOXENXRVPK-SNVBAGLBSA-N -1 3 383.399 3.784 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC001456923717 1062919241 /nfs/dbraw/zinc/91/92/41/1062919241.db2.gz IXIYYFKSTPZRGU-MRXNPFEDSA-N -1 3 377.778 3.577 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC001456950160 1062927320 /nfs/dbraw/zinc/92/73/20/1062927320.db2.gz SIQAYOKCUAGNTL-HOMQSWHASA-N -1 3 376.869 3.835 20 0 GHADHM CCOc1ccc(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001457162660 1062994387 /nfs/dbraw/zinc/99/43/87/1062994387.db2.gz PDAUSWYARAZWGG-UHFFFAOYSA-N -1 3 382.489 3.985 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(C4CCCC4)cc3)CC2)n1 ZINC001348428121 1063069558 /nfs/dbraw/zinc/06/95/58/1063069558.db2.gz AKQNOSJKLSMMTE-UHFFFAOYSA-N -1 3 380.492 3.547 20 0 GHADHM CC(C)Cc1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]1 ZINC001457597291 1063271980 /nfs/dbraw/zinc/27/19/80/1063271980.db2.gz APUWREMDOJNQRL-UHFFFAOYSA-N -1 3 394.353 3.601 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(O[C@@H](C)C(F)(F)F)nc3C)n[n-]2)o1 ZINC001457693227 1063317037 /nfs/dbraw/zinc/31/70/37/1063317037.db2.gz WPVYZEQQNXCFMQ-JTQLQIEISA-N -1 3 395.341 3.658 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(-c4ccccn4)c3C)c2c1=O ZINC001457884167 1063414886 /nfs/dbraw/zinc/41/48/86/1063414886.db2.gz CPPWFHPUAWGRJJ-UHFFFAOYSA-N -1 3 387.443 3.676 20 0 GHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc3c(o2)c(F)ccc3C)s1 ZINC001348934147 1063420289 /nfs/dbraw/zinc/42/02/89/1063420289.db2.gz VETHFEKHRLHHRR-UHFFFAOYSA-N -1 3 395.437 3.639 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2nn(-c3ccccc3)cc2Br)s1 ZINC001348972892 1063461040 /nfs/dbraw/zinc/46/10/40/1063461040.db2.gz XAUMEKPVKSPJPG-UHFFFAOYSA-N -1 3 392.282 3.862 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1ccncc1Br ZINC001436879308 1063688663 /nfs/dbraw/zinc/68/86/63/1063688663.db2.gz BXDHWJARQFWGQW-UHFFFAOYSA-N -1 3 393.241 3.678 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cncc(C(F)(F)F)c1 ZINC001436882552 1063692672 /nfs/dbraw/zinc/69/26/72/1063692672.db2.gz XYUMWNRKXUIEDY-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM CC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001458705004 1063922748 /nfs/dbraw/zinc/92/27/48/1063922748.db2.gz QEYCLDITDHQYAM-HAQNSBGRSA-N -1 3 380.370 3.937 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](SC)c2ccccc2)c(C(=O)OCC)[n-]1 ZINC001458950620 1063966947 /nfs/dbraw/zinc/96/69/47/1063966947.db2.gz BJWKYQJGXGTVGT-INIZCTEOSA-N -1 3 375.494 3.972 20 0 GHADHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(Cl)c(Br)cc3F)nc2n1 ZINC001438058552 1063972853 /nfs/dbraw/zinc/97/28/53/1063972853.db2.gz AXZSCELTVOFPLB-UHFFFAOYSA-N -1 3 398.623 3.548 20 0 GHADHM C[C@]1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO[C@H]1C1CC1 ZINC001463505972 1064415644 /nfs/dbraw/zinc/41/56/44/1064415644.db2.gz OYVCFKZGSONXFU-RDJZCZTQSA-N -1 3 398.937 3.699 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCCC2)c2ccccc2)c(F)c1F ZINC001463520145 1064430504 /nfs/dbraw/zinc/43/05/04/1064430504.db2.gz WNNDIMLGCLZJNO-KRWDZBQOSA-N -1 3 394.487 3.779 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)CC2)c1 ZINC001463561916 1064462779 /nfs/dbraw/zinc/46/27/79/1064462779.db2.gz NHBDCXFZWXDXPX-GDBMZVCRSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC001463599625 1064489709 /nfs/dbraw/zinc/48/97/09/1064489709.db2.gz SDPWDASYZLSSSL-AWEZNQCLSA-N -1 3 399.299 3.773 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c1 ZINC001463641231 1064520575 /nfs/dbraw/zinc/52/05/75/1064520575.db2.gz OGPMHXSYBZXWIE-LLVKDONJSA-N -1 3 385.844 3.614 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)c1 ZINC001463690803 1064552161 /nfs/dbraw/zinc/55/21/61/1064552161.db2.gz HTRCCTXHONNNCZ-UHFFFAOYSA-N -1 3 399.871 3.788 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1 ZINC001463732331 1064576225 /nfs/dbraw/zinc/57/62/25/1064576225.db2.gz PMHZNOZHRNYXAU-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM O=C([N-]CC1CCN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CC1)C(F)(F)F ZINC000847099156 1064702337 /nfs/dbraw/zinc/70/23/37/1064702337.db2.gz ORODLVSGJUIATG-ROUUACIJSA-N -1 3 396.453 3.563 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C1CCC1)C1CCCCC1 ZINC001463952481 1064737079 /nfs/dbraw/zinc/73/70/79/1064737079.db2.gz BLZFIZSZYQMLQY-SFHVURJKSA-N -1 3 383.485 3.640 20 0 GHADHM COc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c([O-])c1 ZINC001464083721 1064809123 /nfs/dbraw/zinc/80/91/23/1064809123.db2.gz ARUGKGVYAPILSA-UHFFFAOYSA-N -1 3 388.467 3.894 20 0 GHADHM O=S(=O)([N-]CCSCCC(F)(F)F)c1csnc1-c1ccccc1 ZINC001464269028 1064933623 /nfs/dbraw/zinc/93/36/23/1064933623.db2.gz DKUIURLXCXHRFW-UHFFFAOYSA-N -1 3 396.481 3.774 20 0 GHADHM O=C(NCc1cc(Br)cs1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464270035 1064934395 /nfs/dbraw/zinc/93/43/95/1064934395.db2.gz JPYRAGNXTGMBHF-UHFFFAOYSA-N -1 3 397.681 3.936 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](Cc2cccnc2)C2CCCC2)c(F)cc1F ZINC001464341577 1064962689 /nfs/dbraw/zinc/96/26/89/1064962689.db2.gz STZPRECJVHXRGT-GOSISDBHSA-N -1 3 380.460 3.748 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[O-] ZINC001464393243 1064985021 /nfs/dbraw/zinc/98/50/21/1064985021.db2.gz GRJFXMHAUYYIER-UHFFFAOYSA-N -1 3 396.830 3.711 20 0 GHADHM COc1cccc(CN(CC(C)C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC001464517214 1065057569 /nfs/dbraw/zinc/05/75/69/1065057569.db2.gz BREHFUZFUJBOCY-UHFFFAOYSA-N -1 3 398.503 3.514 20 0 GHADHM CC(C)(C)c1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)nc2ncnn21 ZINC001352576289 1065146261 /nfs/dbraw/zinc/14/62/61/1065146261.db2.gz RDADXAYVNOBDGJ-UHFFFAOYSA-N -1 3 385.497 3.573 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001464882158 1065258608 /nfs/dbraw/zinc/25/86/08/1065258608.db2.gz GPILYXPRCUIHAN-YLQKULKDSA-N -1 3 387.892 3.570 20 0 GHADHM COc1cc2ncc(C(=O)Nc3nc(-c4ccco4)cs3)c([O-])c2c(OC)c1 ZINC001464902744 1065266058 /nfs/dbraw/zinc/26/60/58/1065266058.db2.gz AVBLXLVURDKRLT-UHFFFAOYSA-N -1 3 397.412 3.514 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC001300200675 1065663010 /nfs/dbraw/zinc/66/30/10/1065663010.db2.gz BAWXDCNBFHFCON-UHFFFAOYSA-N -1 3 395.271 3.851 20 0 GHADHM Cc1ccc(-c2cnc(NC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)s2)c(C)c1 ZINC001466459899 1066163694 /nfs/dbraw/zinc/16/36/94/1066163694.db2.gz WUWWMRIXHLUBKL-UHFFFAOYSA-N -1 3 387.490 3.533 20 0 GHADHM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001466631707 1066223554 /nfs/dbraw/zinc/22/35/54/1066223554.db2.gz VLZZLHNQHJUFOI-SFHVURJKSA-N -1 3 387.455 3.692 20 0 GHADHM CC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1[O-] ZINC001466683687 1066254521 /nfs/dbraw/zinc/25/45/21/1066254521.db2.gz VKBPAHIBAKNMNM-JOCHJYFZSA-N -1 3 375.424 3.725 20 0 GHADHM Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ncccc3[O-])[C@@H]2c2cccs2)cc1 ZINC001466803607 1066323801 /nfs/dbraw/zinc/32/38/01/1066323801.db2.gz OHACIDGEVDHNDU-HNAYVOBHSA-N -1 3 393.468 3.890 20 0 GHADHM CSc1ccc(C(=O)Nc2ccc(I)cc2[O-])cc1 ZINC001466817852 1066326283 /nfs/dbraw/zinc/32/62/83/1066326283.db2.gz ULZVRHFWQCXMBP-UHFFFAOYSA-N -1 3 385.226 3.971 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1noc2c1CCCCC2 ZINC001466817920 1066334330 /nfs/dbraw/zinc/33/43/30/1066334330.db2.gz XXAPFODSJAOZOZ-UHFFFAOYSA-N -1 3 398.200 3.506 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc(CC)ccc1[O-] ZINC001467287023 1067199142 /nfs/dbraw/zinc/19/91/42/1067199142.db2.gz KGUQFKFQKZBCGV-KRWDZBQOSA-N -1 3 375.852 3.512 20 0 GHADHM Cc1nc(-c2nnc(N3CCC4(CCCC4)C3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001357890146 1067320479 /nfs/dbraw/zinc/32/04/79/1067320479.db2.gz BYQSEBQOGXCQJG-UHFFFAOYSA-N -1 3 390.491 3.568 20 0 GHADHM O=C(NCc1c(F)cccc1OC(F)F)c1c[n-]c2c(Cl)cccc2c1=O ZINC001467714532 1067433621 /nfs/dbraw/zinc/43/36/21/1067433621.db2.gz BOLDCPUTAUOTSS-UHFFFAOYSA-N -1 3 396.752 3.852 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1(c2cc(F)cc(Br)c2)CC1 ZINC001468311701 1067679370 /nfs/dbraw/zinc/67/93/70/1067679370.db2.gz WLQFIVHRUHVXFX-UHFFFAOYSA-N -1 3 390.212 3.840 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)SCc2nc3ccccc3c(=O)[nH]2)c1[O-] ZINC001468600359 1067786187 /nfs/dbraw/zinc/78/61/87/1067786187.db2.gz ADBMCISYGTXPBQ-LBPRGKRZSA-N -1 3 397.456 3.504 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C1(CCCOCc2ccccc2)CC1 ZINC001468758159 1067863252 /nfs/dbraw/zinc/86/32/52/1067863252.db2.gz DRYIZJJXZZYGHR-UHFFFAOYSA-N -1 3 391.475 3.506 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C1(CCCOCc2ccccc2)CC1 ZINC001468758159 1067863255 /nfs/dbraw/zinc/86/32/55/1067863255.db2.gz DRYIZJJXZZYGHR-UHFFFAOYSA-N -1 3 391.475 3.506 20 0 GHADHM CN(C)c1cccc2sc(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)cc21 ZINC001469326467 1068104346 /nfs/dbraw/zinc/10/43/46/1068104346.db2.gz ILBQAUBOEYMETL-UHFFFAOYSA-N -1 3 386.477 3.898 20 0 GHADHM CN(C)c1cccc2sc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)cc21 ZINC001469326467 1068104348 /nfs/dbraw/zinc/10/43/48/1068104348.db2.gz ILBQAUBOEYMETL-UHFFFAOYSA-N -1 3 386.477 3.898 20 0 GHADHM COc1ccccc1C=C(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC001469714309 1068331271 /nfs/dbraw/zinc/33/12/71/1068331271.db2.gz IKLZGIXDBUESEX-DYGKOUCMSA-N -1 3 389.455 3.681 20 0 GHADHM Cc1ccc(CN(CCCC(C)C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC001469900575 1068459125 /nfs/dbraw/zinc/45/91/25/1068459125.db2.gz KPYNWXMIEHLXPF-UHFFFAOYSA-N -1 3 387.406 3.873 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1 ZINC001470264706 1068654113 /nfs/dbraw/zinc/65/41/13/1068654113.db2.gz GFEWWVIRVUUYJH-QZTJIDSGSA-N -1 3 384.501 3.585 20 0 GHADHM COc1cccc(C2(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)CCC2)c1 ZINC001470436201 1072553985 /nfs/dbraw/zinc/55/39/85/1072553985.db2.gz ABZRAZFZEJQKNR-UHFFFAOYSA-N -1 3 382.847 3.999 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001470496022 1072591454 /nfs/dbraw/zinc/59/14/54/1072591454.db2.gz BKSGTNZPKIPUHQ-RBZFPXEDSA-N -1 3 392.521 3.634 20 0 GHADHM Cc1cccc(CN2CCO[C@@H](CNC(=O)c3cc4sccc4c([O-])c3)C2)c1 ZINC001471230384 1072976012 /nfs/dbraw/zinc/97/60/12/1072976012.db2.gz PDYQGXXEHASZCJ-SFHVURJKSA-N -1 3 396.512 3.546 20 0 GHADHM O=C(NCC1CCC=CCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001472003974 1073301178 /nfs/dbraw/zinc/30/11/78/1073301178.db2.gz KCVBIPPIPJDTBM-UHFFFAOYSA-N -1 3 375.266 3.767 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC001472061861 1073321040 /nfs/dbraw/zinc/32/10/40/1073321040.db2.gz ZLGHNPFIMWVDTK-UHFFFAOYSA-N -1 3 385.411 3.876 20 0 GHADHM C[C@H](NC(=O)CC(C)(C)CC(=O)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110022 1073337120 /nfs/dbraw/zinc/33/71/20/1073337120.db2.gz AWGYDPAOOMXTAT-NSHDSACASA-N -1 3 382.386 3.690 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3c(nc(C)cc3C)s2)c([O-])c(OC)c1 ZINC001472229765 1073376743 /nfs/dbraw/zinc/37/67/43/1073376743.db2.gz IPYPQGDLRGLORD-UHFFFAOYSA-N -1 3 386.429 3.666 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288884 1073401390 /nfs/dbraw/zinc/40/13/90/1073401390.db2.gz RZLYXKLDPGQLGC-BRWVUGGUSA-N -1 3 383.492 3.917 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001472307636 1073413955 /nfs/dbraw/zinc/41/39/55/1073413955.db2.gz PTZXGFJSCNSQMU-AYWYSENESA-N -1 3 378.472 3.558 20 0 GHADHM O=C(NOCCOc1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001472342187 1073435400 /nfs/dbraw/zinc/43/54/00/1073435400.db2.gz YFOWPHKNCKYCPC-UHFFFAOYSA-N -1 3 377.440 3.918 20 0 GHADHM CC(C)n1c2ccccc2nc1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472600055 1073569150 /nfs/dbraw/zinc/56/91/50/1073569150.db2.gz HXAFEKKRTCILQC-UHFFFAOYSA-N -1 3 382.370 3.989 20 0 GHADHM C[C@H](CN(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1nnn[n-]1 ZINC001472754689 1073651802 /nfs/dbraw/zinc/65/18/02/1073651802.db2.gz XEYWGCAGAZZSEU-GFCCVEGCSA-N -1 3 379.855 3.703 20 0 GHADHM C[C@H](CN(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1nn[n-]n1 ZINC001472754689 1073651809 /nfs/dbraw/zinc/65/18/09/1073651809.db2.gz XEYWGCAGAZZSEU-GFCCVEGCSA-N -1 3 379.855 3.703 20 0 GHADHM COc1cc(OC)c(OC)cc1CSCc1noc(-c2ccccc2[O-])n1 ZINC001473081726 1073773535 /nfs/dbraw/zinc/77/35/35/1073773535.db2.gz XLJBGNQXKYRWTN-UHFFFAOYSA-N -1 3 388.445 3.901 20 0 GHADHM CCc1cc2c(CN3CC(C)(C)O[C@](C)(C(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC001473502540 1073991838 /nfs/dbraw/zinc/99/18/38/1073991838.db2.gz RZVRLXBIMLTEJY-IBGZPJMESA-N -1 3 399.409 3.993 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1noc(Cc2ccccc2)n1 ZINC001474041419 1074245613 /nfs/dbraw/zinc/24/56/13/1074245613.db2.gz RPTCKRNRNNGKKE-LBPRGKRZSA-N -1 3 388.265 3.979 20 0 GHADHM C[C@]1(NCc2ccc([O-])c(F)c2F)CCN(C(=O)OCc2ccccc2)C1 ZINC001474487703 1074428353 /nfs/dbraw/zinc/42/83/53/1074428353.db2.gz SWJNOHUVRUHBRR-FQEVSTJZSA-N -1 3 376.403 3.561 20 0 GHADHM C[C@H]1CCc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001474842275 1074588986 /nfs/dbraw/zinc/58/89/86/1074588986.db2.gz DOZBMFXQOINYEA-ZDUSSCGKSA-N -1 3 382.888 3.599 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCc2ccccc2C1 ZINC001474880841 1074609455 /nfs/dbraw/zinc/60/94/55/1074609455.db2.gz FBPQNCWJVUECRY-UHFFFAOYSA-N -1 3 396.915 3.594 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001475015554 1074684210 /nfs/dbraw/zinc/68/42/10/1074684210.db2.gz OBFPWILPTXAFGB-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC001475147704 1074757776 /nfs/dbraw/zinc/75/77/76/1074757776.db2.gz QDLBTQFEPAINJD-AWEZNQCLSA-N -1 3 392.290 3.598 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)c1ccc(C)c(C)c1 ZINC001475226797 1074795255 /nfs/dbraw/zinc/79/52/55/1074795255.db2.gz PNXSVMHZOIEGDQ-IBGZPJMESA-N -1 3 389.517 3.730 20 0 GHADHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C1CC1 ZINC001475300907 1074826947 /nfs/dbraw/zinc/82/69/47/1074826947.db2.gz ULRRGLVIZDGFFP-NOZJJQNGSA-N -1 3 396.734 3.503 20 0 GHADHM CC/C=C\C[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001475335002 1074838136 /nfs/dbraw/zinc/83/81/36/1074838136.db2.gz FOOBKNAKTLYRSE-PLNGDYQASA-N -1 3 397.132 3.765 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(Cl)c(Cl)c2)c1 ZINC001475341655 1074840502 /nfs/dbraw/zinc/84/05/02/1074840502.db2.gz LRUGJRWQOXCSEO-UHFFFAOYSA-N -1 3 395.695 3.708 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)s1 ZINC001475344588 1074841136 /nfs/dbraw/zinc/84/11/36/1074841136.db2.gz FDWLKPHKVHOVBX-UHFFFAOYSA-N -1 3 399.921 3.632 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001475611583 1074926798 /nfs/dbraw/zinc/92/67/98/1074926798.db2.gz PBSFZPOLKLZNRP-MSOLQXFVSA-N -1 3 398.532 3.679 20 0 GHADHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)OC1 ZINC001475625750 1074929839 /nfs/dbraw/zinc/92/98/39/1074929839.db2.gz KEZCNCDJYQQGJN-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001475724512 1075009243 /nfs/dbraw/zinc/00/92/43/1075009243.db2.gz BFMZNHZYVNJJJM-GFCCVEGCSA-N -1 3 381.402 3.549 20 0 GHADHM COC(=O)C1(CCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC001475758202 1075015610 /nfs/dbraw/zinc/01/56/10/1075015610.db2.gz LYFVRAYMLBKGBW-UHFFFAOYSA-N -1 3 394.320 3.785 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1Oc1ccccc1Cl ZINC001475892639 1075042783 /nfs/dbraw/zinc/04/27/83/1075042783.db2.gz CXUUCEXYBALGID-ZDUSSCGKSA-N -1 3 386.839 3.766 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(COc2ccccc2)c1C ZINC001476247100 1075109935 /nfs/dbraw/zinc/10/99/35/1075109935.db2.gz HVNRMWBGOFKVOR-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(COc2ccccc2)c1C ZINC001476247100 1075109936 /nfs/dbraw/zinc/10/99/36/1075109936.db2.gz HVNRMWBGOFKVOR-UHFFFAOYSA-N -1 3 386.448 3.969 20 0 GHADHM O=C([N-]O[C@@H](CO)C1CCCC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001476343735 1075130209 /nfs/dbraw/zinc/13/02/09/1075130209.db2.gz KGCAMXWKERRYQI-HNNXBMFYSA-N -1 3 399.278 3.783 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1C ZINC000016100944 221357315 /nfs/dbraw/zinc/35/73/15/221357315.db2.gz LJCOTHMJZNGDPH-UHFFFAOYSA-N -1 3 399.520 3.686 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000583621732 570801911 /nfs/dbraw/zinc/80/19/11/570801911.db2.gz DCWZBNULVPUZHG-QGZVFWFLSA-N -1 3 385.464 3.599 20 0 GHADHM S=C(NCCc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738401322 598828725 /nfs/dbraw/zinc/82/87/25/598828725.db2.gz OIAJGHCJYKJFLK-UHFFFAOYSA-N -1 3 398.879 3.795 20 0 GHADHM S=C(NCCc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738401322 598828727 /nfs/dbraw/zinc/82/87/27/598828727.db2.gz OIAJGHCJYKJFLK-UHFFFAOYSA-N -1 3 398.879 3.795 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000737448859 598831966 /nfs/dbraw/zinc/83/19/66/598831966.db2.gz REPVLBFYBOSJJV-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000737448859 598831968 /nfs/dbraw/zinc/83/19/68/598831968.db2.gz REPVLBFYBOSJJV-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM Cc1ccc(F)cc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737344756 598834520 /nfs/dbraw/zinc/83/45/20/598834520.db2.gz KCTZAKJFXLRZBP-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C[C@@H](C)C1 ZINC000736223643 598838218 /nfs/dbraw/zinc/83/82/18/598838218.db2.gz JMOFWAOFDPLMPW-HALDLXJZSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C[C@@H](C)C1 ZINC000736223643 598838219 /nfs/dbraw/zinc/83/82/19/598838219.db2.gz JMOFWAOFDPLMPW-HALDLXJZSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@H]1CC(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C[C@H](C)C1 ZINC000736223647 598838259 /nfs/dbraw/zinc/83/82/59/598838259.db2.gz JMOFWAOFDPLMPW-ZIAGYGMSSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@H]1CC(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C[C@H](C)C1 ZINC000736223647 598838260 /nfs/dbraw/zinc/83/82/60/598838260.db2.gz JMOFWAOFDPLMPW-ZIAGYGMSSA-N -1 3 392.463 3.609 20 0 GHADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736654538 598852168 /nfs/dbraw/zinc/85/21/68/598852168.db2.gz FSUUZVURCKVLIB-UHFFFAOYSA-N -1 3 390.350 3.511 20 0 GHADHM CCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736654538 598852170 /nfs/dbraw/zinc/85/21/70/598852170.db2.gz FSUUZVURCKVLIB-UHFFFAOYSA-N -1 3 390.350 3.511 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158796 598856815 /nfs/dbraw/zinc/85/68/15/598856815.db2.gz SDUBTJDTSRNMIU-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158796 598856816 /nfs/dbraw/zinc/85/68/16/598856816.db2.gz SDUBTJDTSRNMIU-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000736137586 598869346 /nfs/dbraw/zinc/86/93/46/598869346.db2.gz LIDNIUNAEVRCAS-AWEZNQCLSA-N -1 3 385.431 3.687 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000738232594 598879140 /nfs/dbraw/zinc/87/91/40/598879140.db2.gz UHDVUIYBRXRXSD-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(OCc1ccc(Cl)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000738232594 598879141 /nfs/dbraw/zinc/87/91/41/598879141.db2.gz UHDVUIYBRXRXSD-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736396360 598888919 /nfs/dbraw/zinc/88/89/19/598888919.db2.gz MCGPGGVZXAATSX-MRXNPFEDSA-N -1 3 396.499 3.823 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736396360 598888921 /nfs/dbraw/zinc/88/89/21/598888921.db2.gz MCGPGGVZXAATSX-MRXNPFEDSA-N -1 3 396.499 3.823 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2nccc3ccccc32)no1 ZINC000736167319 598890099 /nfs/dbraw/zinc/89/00/99/598890099.db2.gz DHTWJGPZISILFH-GFCCVEGCSA-N -1 3 385.387 3.605 20 0 GHADHM CC[C@@H](C)[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736332027 598890404 /nfs/dbraw/zinc/89/04/04/598890404.db2.gz RNSOZAYZOGYYJO-CHWSQXEVSA-N -1 3 384.509 3.829 20 0 GHADHM c1ccc2c(c1)ccnc2-c1noc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738434014 598891373 /nfs/dbraw/zinc/89/13/73/598891373.db2.gz YQGXTWUSPUUOLR-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1ccc2c(c1)ccnc2-c1noc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738434014 598891375 /nfs/dbraw/zinc/89/13/75/598891375.db2.gz YQGXTWUSPUUOLR-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)c2)n1 ZINC000737449378 598903906 /nfs/dbraw/zinc/90/39/06/598903906.db2.gz WVBCQLPTGNUXNQ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1csc(-c2cccc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)c2)n1 ZINC000737449378 598903907 /nfs/dbraw/zinc/90/39/07/598903907.db2.gz WVBCQLPTGNUXNQ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000738099329 598906995 /nfs/dbraw/zinc/90/69/95/598906995.db2.gz CLTVGKXGLWPDBS-UHFFFAOYSA-N -1 3 392.463 3.648 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC000738099329 598906997 /nfs/dbraw/zinc/90/69/97/598906997.db2.gz CLTVGKXGLWPDBS-UHFFFAOYSA-N -1 3 392.463 3.648 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736352037 598908733 /nfs/dbraw/zinc/90/87/33/598908733.db2.gz UPANJGCQCXHJOY-GOSISDBHSA-N -1 3 396.539 3.512 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736352037 598908735 /nfs/dbraw/zinc/90/87/35/598908735.db2.gz UPANJGCQCXHJOY-GOSISDBHSA-N -1 3 396.539 3.512 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735924777 598910800 /nfs/dbraw/zinc/91/08/00/598910800.db2.gz UNPSBECGAQIJGY-VQTJNVASSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735924777 598910801 /nfs/dbraw/zinc/91/08/01/598910801.db2.gz UNPSBECGAQIJGY-VQTJNVASSA-N -1 3 375.476 3.752 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924834 598912336 /nfs/dbraw/zinc/91/23/36/598912336.db2.gz VTABKHJALKCXJW-QZTJIDSGSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924834 598912337 /nfs/dbraw/zinc/91/23/37/598912337.db2.gz VTABKHJALKCXJW-QZTJIDSGSA-N -1 3 379.439 3.549 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000735735723 598912665 /nfs/dbraw/zinc/91/26/65/598912665.db2.gz UQJQXIYJQUWZFH-UGKGYDQZSA-N -1 3 395.507 3.619 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000735735723 598912667 /nfs/dbraw/zinc/91/26/67/598912667.db2.gz UQJQXIYJQUWZFH-UGKGYDQZSA-N -1 3 395.507 3.619 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737058396 598912768 /nfs/dbraw/zinc/91/27/68/598912768.db2.gz LBGSOXBQJSALBX-IAGOWNOFSA-N -1 3 377.448 3.741 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000737058396 598912770 /nfs/dbraw/zinc/91/27/70/598912770.db2.gz LBGSOXBQJSALBX-IAGOWNOFSA-N -1 3 377.448 3.741 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000737280410 598924027 /nfs/dbraw/zinc/92/40/27/598924027.db2.gz RWNLLPQVMHXBJG-GOSISDBHSA-N -1 3 398.426 3.641 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736253889 598926074 /nfs/dbraw/zinc/92/60/74/598926074.db2.gz PDRWRCRBCILNMQ-YJBOKZPZSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736253889 598926075 /nfs/dbraw/zinc/92/60/75/598926075.db2.gz PDRWRCRBCILNMQ-YJBOKZPZSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736055535 598936923 /nfs/dbraw/zinc/93/69/23/598936923.db2.gz GKVFEUUZVDBXCX-VIFPVBQESA-N -1 3 393.676 3.721 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736055535 598936924 /nfs/dbraw/zinc/93/69/24/598936924.db2.gz GKVFEUUZVDBXCX-VIFPVBQESA-N -1 3 393.676 3.721 20 0 GHADHM CC(C)(C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccs1 ZINC000735582565 598979964 /nfs/dbraw/zinc/97/99/64/598979964.db2.gz KVHFDHQIPDSURH-UHFFFAOYSA-N -1 3 396.501 3.968 20 0 GHADHM CC(C)(C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccs1 ZINC000735582565 598979966 /nfs/dbraw/zinc/97/99/66/598979966.db2.gz KVHFDHQIPDSURH-UHFFFAOYSA-N -1 3 396.501 3.968 20 0 GHADHM CC[C@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736365522 598997275 /nfs/dbraw/zinc/99/72/75/598997275.db2.gz XAYHKEBXFDEFAF-IBGZPJMESA-N -1 3 379.464 3.610 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736268979 598998602 /nfs/dbraw/zinc/99/86/02/598998602.db2.gz YRHNKEGFRCWENO-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736323776 599005804 /nfs/dbraw/zinc/00/58/04/599005804.db2.gz YPXMXLBDOUVEBU-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736323776 599005806 /nfs/dbraw/zinc/00/58/06/599005806.db2.gz YPXMXLBDOUVEBU-OAHLLOKOSA-N -1 3 379.464 3.564 20 0 GHADHM CC(C)CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000735796764 599015926 /nfs/dbraw/zinc/01/59/26/599015926.db2.gz IAPWMPMZXUZMBA-INIZCTEOSA-N -1 3 375.542 3.926 20 0 GHADHM CC(C)CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735796764 599015928 /nfs/dbraw/zinc/01/59/28/599015928.db2.gz IAPWMPMZXUZMBA-INIZCTEOSA-N -1 3 375.542 3.926 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110869 599019043 /nfs/dbraw/zinc/01/90/43/599019043.db2.gz CMPPWVVLPPXQID-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110869 599019045 /nfs/dbraw/zinc/01/90/45/599019045.db2.gz CMPPWVVLPPXQID-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736227537 599021878 /nfs/dbraw/zinc/02/18/78/599021878.db2.gz LHHBMRDIOQEXBX-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736227537 599021880 /nfs/dbraw/zinc/02/18/80/599021880.db2.gz LHHBMRDIOQEXBX-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736794288 599027439 /nfs/dbraw/zinc/02/74/39/599027439.db2.gz PTIRRDQUZKYHOZ-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CN(Cc1c(F)cccc1Cl)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736814575 599039332 /nfs/dbraw/zinc/03/93/32/599039332.db2.gz LHBLBWJFZDLROW-UHFFFAOYSA-N -1 3 386.740 3.709 20 0 GHADHM CN(Cc1c(F)cccc1Cl)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736814575 599039335 /nfs/dbraw/zinc/03/93/35/599039335.db2.gz LHBLBWJFZDLROW-UHFFFAOYSA-N -1 3 386.740 3.709 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736198812 599040778 /nfs/dbraw/zinc/04/07/78/599040778.db2.gz KVLCBEZVLSRNDZ-QMMMGPOBSA-N -1 3 384.312 3.756 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736198812 599040781 /nfs/dbraw/zinc/04/07/81/599040781.db2.gz KVLCBEZVLSRNDZ-QMMMGPOBSA-N -1 3 384.312 3.756 20 0 GHADHM CCCN(Cc1ccccc1F)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736479269 599048578 /nfs/dbraw/zinc/04/85/78/599048578.db2.gz GOSOTGKICOTSTK-UHFFFAOYSA-N -1 3 380.349 3.836 20 0 GHADHM CCCN(Cc1ccccc1F)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736479269 599048580 /nfs/dbraw/zinc/04/85/80/599048580.db2.gz GOSOTGKICOTSTK-UHFFFAOYSA-N -1 3 380.349 3.836 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000822795922 599051219 /nfs/dbraw/zinc/05/12/19/599051219.db2.gz JAVAOVYKTUCUBI-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000822795922 599051222 /nfs/dbraw/zinc/05/12/22/599051222.db2.gz JAVAOVYKTUCUBI-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737333458 599056958 /nfs/dbraw/zinc/05/69/58/599056958.db2.gz BPNQGVLGCXYXQR-CQSZACIVSA-N -1 3 388.397 3.800 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737333458 599056961 /nfs/dbraw/zinc/05/69/61/599056961.db2.gz BPNQGVLGCXYXQR-CQSZACIVSA-N -1 3 388.397 3.800 20 0 GHADHM CCc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccncc2)n1 ZINC000821475942 599057281 /nfs/dbraw/zinc/05/72/81/599057281.db2.gz DTYWORHWWDZQQZ-UHFFFAOYSA-N -1 3 379.424 3.571 20 0 GHADHM CCc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccncc2)n1 ZINC000821475942 599057284 /nfs/dbraw/zinc/05/72/84/599057284.db2.gz DTYWORHWWDZQQZ-UHFFFAOYSA-N -1 3 379.424 3.571 20 0 GHADHM COc1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c2ccccc2n1 ZINC000821717796 599062680 /nfs/dbraw/zinc/06/26/80/599062680.db2.gz YXTHGILEKYOMDU-UHFFFAOYSA-N -1 3 383.415 3.584 20 0 GHADHM COc1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c2ccccc2n1 ZINC000821717796 599062683 /nfs/dbraw/zinc/06/26/83/599062683.db2.gz YXTHGILEKYOMDU-UHFFFAOYSA-N -1 3 383.415 3.584 20 0 GHADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)Oc1ccccc1Cl ZINC000820274850 599064203 /nfs/dbraw/zinc/06/42/03/599064203.db2.gz KIDCLHGYXQHOPW-LBPRGKRZSA-N -1 3 380.839 3.948 20 0 GHADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)Oc1ccccc1Cl ZINC000820274850 599064205 /nfs/dbraw/zinc/06/42/05/599064205.db2.gz KIDCLHGYXQHOPW-LBPRGKRZSA-N -1 3 380.839 3.948 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccccc2N(C)C)n1 ZINC000737245855 599067984 /nfs/dbraw/zinc/06/79/84/599067984.db2.gz QZGYDIJABYFPRR-UHFFFAOYSA-N -1 3 394.426 3.947 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501526 599070565 /nfs/dbraw/zinc/07/05/65/599070565.db2.gz DNZLHNQJKHTHEW-AFAVFJNCSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501526 599070568 /nfs/dbraw/zinc/07/05/68/599070568.db2.gz DNZLHNQJKHTHEW-AFAVFJNCSA-N -1 3 397.429 3.858 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000736244276 599070618 /nfs/dbraw/zinc/07/06/18/599070618.db2.gz GEWJWYGGUOVXPC-ZFWWWQNUSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000736244276 599070621 /nfs/dbraw/zinc/07/06/21/599070621.db2.gz GEWJWYGGUOVXPC-ZFWWWQNUSA-N -1 3 378.436 3.819 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2OCCc3sccc32)ccc1-c1nnn[n-]1 ZINC000822723610 599076400 /nfs/dbraw/zinc/07/64/00/599076400.db2.gz HSTUJBIVBQGBOV-ZDUSSCGKSA-N -1 3 381.383 3.673 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2OCCc3sccc32)ccc1-c1nn[n-]n1 ZINC000822723610 599076402 /nfs/dbraw/zinc/07/64/02/599076402.db2.gz HSTUJBIVBQGBOV-ZDUSSCGKSA-N -1 3 381.383 3.673 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000822737291 599076722 /nfs/dbraw/zinc/07/67/22/599076722.db2.gz TVQWYVJGMTWBEP-NSHDSACASA-N -1 3 384.173 3.997 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000822737291 599076725 /nfs/dbraw/zinc/07/67/25/599076725.db2.gz TVQWYVJGMTWBEP-NSHDSACASA-N -1 3 384.173 3.997 20 0 GHADHM CCSCc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736668367 599084622 /nfs/dbraw/zinc/08/46/22/599084622.db2.gz YHWOJEPSQOBDAI-UHFFFAOYSA-N -1 3 399.545 3.992 20 0 GHADHM CCSCc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736668367 599084626 /nfs/dbraw/zinc/08/46/26/599084626.db2.gz YHWOJEPSQOBDAI-UHFFFAOYSA-N -1 3 399.545 3.992 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(C(F)(F)F)CC3)c2c1 ZINC000822195307 599088005 /nfs/dbraw/zinc/08/80/05/599088005.db2.gz OERLMIRIKNLYNN-UHFFFAOYSA-N -1 3 376.386 3.810 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(C(F)(F)F)CC3)c2c1 ZINC000822195307 599088008 /nfs/dbraw/zinc/08/80/08/599088008.db2.gz OERLMIRIKNLYNN-UHFFFAOYSA-N -1 3 376.386 3.810 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236192 599091343 /nfs/dbraw/zinc/09/13/43/599091343.db2.gz RCJLMMPNFHYEOR-QINHECLXSA-N -1 3 375.476 3.592 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236192 599091346 /nfs/dbraw/zinc/09/13/46/599091346.db2.gz RCJLMMPNFHYEOR-QINHECLXSA-N -1 3 375.476 3.592 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000822233513 599108755 /nfs/dbraw/zinc/10/87/55/599108755.db2.gz QLKGVGNOTSRYDH-PKOBYXMFSA-N -1 3 378.480 3.767 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000822233513 599108757 /nfs/dbraw/zinc/10/87/57/599108757.db2.gz QLKGVGNOTSRYDH-PKOBYXMFSA-N -1 3 378.480 3.767 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccc(Br)o1 ZINC000737407382 599121380 /nfs/dbraw/zinc/12/13/80/599121380.db2.gz ADSGDNXJRCJKRP-UHFFFAOYSA-N -1 3 399.252 3.715 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccc(Br)o1 ZINC000737407382 599121383 /nfs/dbraw/zinc/12/13/83/599121383.db2.gz ADSGDNXJRCJKRP-UHFFFAOYSA-N -1 3 399.252 3.715 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000736637515 599145266 /nfs/dbraw/zinc/14/52/66/599145266.db2.gz QVPBLMWFYNLUPL-YOEHRIQHSA-N -1 3 392.463 3.675 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000736637515 599145269 /nfs/dbraw/zinc/14/52/69/599145269.db2.gz QVPBLMWFYNLUPL-YOEHRIQHSA-N -1 3 392.463 3.675 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822232938 599149106 /nfs/dbraw/zinc/14/91/06/599149106.db2.gz FDFORDDSGQJNJG-HKUYNNGSSA-N -1 3 377.448 3.590 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822232938 599149108 /nfs/dbraw/zinc/14/91/08/599149108.db2.gz FDFORDDSGQJNJG-HKUYNNGSSA-N -1 3 377.448 3.590 20 0 GHADHM O=C(O[C@H](c1ccc(Br)cc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738215633 599157870 /nfs/dbraw/zinc/15/78/70/599157870.db2.gz SFWYESQBOWVSRD-INIZCTEOSA-N -1 3 399.248 3.937 20 0 GHADHM O=C(O[C@H](c1ccc(Br)cc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738215633 599157873 /nfs/dbraw/zinc/15/78/73/599157873.db2.gz SFWYESQBOWVSRD-INIZCTEOSA-N -1 3 399.248 3.937 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738162954 599161511 /nfs/dbraw/zinc/16/15/11/599161511.db2.gz JKLOCYRYCGMSMO-ZJUUUORDSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738162954 599161512 /nfs/dbraw/zinc/16/15/12/599161512.db2.gz JKLOCYRYCGMSMO-ZJUUUORDSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738144827 599161623 /nfs/dbraw/zinc/16/16/23/599161623.db2.gz NVSODCMJEDNDAI-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738144827 599161624 /nfs/dbraw/zinc/16/16/24/599161624.db2.gz NVSODCMJEDNDAI-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000737355155 599167648 /nfs/dbraw/zinc/16/76/48/599167648.db2.gz AOPQWIIKGKJUCK-SNVBAGLBSA-N -1 3 375.404 3.573 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737355155 599167649 /nfs/dbraw/zinc/16/76/49/599167649.db2.gz AOPQWIIKGKJUCK-SNVBAGLBSA-N -1 3 375.404 3.573 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCCC[C@H]1C ZINC000735735970 599168729 /nfs/dbraw/zinc/16/87/29/599168729.db2.gz RALNWEGCJXCHMH-PVUWLOKVSA-N -1 3 391.516 3.817 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCCC[C@H]1C ZINC000735735970 599168730 /nfs/dbraw/zinc/16/87/30/599168730.db2.gz RALNWEGCJXCHMH-PVUWLOKVSA-N -1 3 391.516 3.817 20 0 GHADHM C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1Cl ZINC000819867038 599170762 /nfs/dbraw/zinc/17/07/62/599170762.db2.gz QGHJLEUVKAXTGQ-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1Cl ZINC000819867038 599170764 /nfs/dbraw/zinc/17/07/64/599170764.db2.gz QGHJLEUVKAXTGQ-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1C(C)C ZINC000822210546 599179280 /nfs/dbraw/zinc/17/92/80/599179280.db2.gz HBRZDLHUMNSTJM-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1C(C)C ZINC000822210546 599179281 /nfs/dbraw/zinc/17/92/81/599179281.db2.gz HBRZDLHUMNSTJM-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM CC(C)CN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818212 599181635 /nfs/dbraw/zinc/18/16/35/599181635.db2.gz JTMZNSRHQOGNFF-UHFFFAOYSA-N -1 3 378.461 3.779 20 0 GHADHM CC(C)CN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818212 599181637 /nfs/dbraw/zinc/18/16/37/599181637.db2.gz JTMZNSRHQOGNFF-UHFFFAOYSA-N -1 3 378.461 3.779 20 0 GHADHM CCCCCC[C@@H](C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736447842 599189618 /nfs/dbraw/zinc/18/96/18/599189618.db2.gz UYVZFWZDGDLDJA-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735560309 599186298 /nfs/dbraw/zinc/18/62/98/599186298.db2.gz PVHGWLYAIFKWAX-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735560309 599186300 /nfs/dbraw/zinc/18/63/00/599186300.db2.gz PVHGWLYAIFKWAX-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000737220051 599204347 /nfs/dbraw/zinc/20/43/47/599204347.db2.gz AHSWGAARYQPHQS-UHFFFAOYSA-N -1 3 399.336 3.838 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924840 599214061 /nfs/dbraw/zinc/21/40/61/599214061.db2.gz VVONKKKUWWCWCC-UHFFFAOYSA-N -1 3 396.470 3.561 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924840 599214064 /nfs/dbraw/zinc/21/40/64/599214064.db2.gz VVONKKKUWWCWCC-UHFFFAOYSA-N -1 3 396.470 3.561 20 0 GHADHM COCCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736987611 599216934 /nfs/dbraw/zinc/21/69/34/599216934.db2.gz KCDOBWBUUJCJPA-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820096721 599217565 /nfs/dbraw/zinc/21/75/65/599217565.db2.gz GLODGTZNGYPFCH-CYBMUJFWSA-N -1 3 399.426 3.798 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820096721 599217567 /nfs/dbraw/zinc/21/75/67/599217567.db2.gz GLODGTZNGYPFCH-CYBMUJFWSA-N -1 3 399.426 3.798 20 0 GHADHM CCOCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821373652 599218593 /nfs/dbraw/zinc/21/85/93/599218593.db2.gz JWZXKZMKDXPOMJ-UHFFFAOYSA-N -1 3 385.399 3.553 20 0 GHADHM CCOCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821373652 599218596 /nfs/dbraw/zinc/21/85/96/599218596.db2.gz JWZXKZMKDXPOMJ-UHFFFAOYSA-N -1 3 385.399 3.553 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821461730 599218667 /nfs/dbraw/zinc/21/86/67/599218667.db2.gz RQQJNBGNSLKEJQ-AWEZNQCLSA-N -1 3 397.504 3.921 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461730 599218669 /nfs/dbraw/zinc/21/86/69/599218669.db2.gz RQQJNBGNSLKEJQ-AWEZNQCLSA-N -1 3 397.504 3.921 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232831 599221896 /nfs/dbraw/zinc/22/18/96/599221896.db2.gz BUCCHIIVWPRPJQ-SUMWQHHRSA-N -1 3 397.504 3.860 20 0 GHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232831 599221898 /nfs/dbraw/zinc/22/18/98/599221898.db2.gz BUCCHIIVWPRPJQ-SUMWQHHRSA-N -1 3 397.504 3.860 20 0 GHADHM CC(C)Oc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913457 599223310 /nfs/dbraw/zinc/22/33/10/599223310.db2.gz OQAXXAQZGUIXTD-UHFFFAOYSA-N -1 3 396.447 3.809 20 0 GHADHM CC(C)Oc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913457 599223313 /nfs/dbraw/zinc/22/33/13/599223313.db2.gz OQAXXAQZGUIXTD-UHFFFAOYSA-N -1 3 396.447 3.809 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000737956224 599227656 /nfs/dbraw/zinc/22/76/56/599227656.db2.gz XXMOEKQHPZKPJZ-DHZHZOJOSA-N -1 3 388.456 3.675 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000737956224 599227657 /nfs/dbraw/zinc/22/76/57/599227657.db2.gz XXMOEKQHPZKPJZ-DHZHZOJOSA-N -1 3 388.456 3.675 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822061582 607268757 /nfs/dbraw/zinc/26/87/57/607268757.db2.gz QYJCTHSMEBEAJW-GJZGRUSLSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822061582 607268758 /nfs/dbraw/zinc/26/87/58/607268758.db2.gz QYJCTHSMEBEAJW-GJZGRUSLSA-N -1 3 398.264 3.680 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380534 599240275 /nfs/dbraw/zinc/24/02/75/599240275.db2.gz WACNDSHIGFAVIE-HNNXBMFYSA-N -1 3 391.479 3.740 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380534 599240277 /nfs/dbraw/zinc/24/02/77/599240277.db2.gz WACNDSHIGFAVIE-HNNXBMFYSA-N -1 3 391.479 3.740 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2)n1 ZINC000822408329 607271162 /nfs/dbraw/zinc/27/11/62/607271162.db2.gz BLEBBSCVDJSDIS-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2)n1 ZINC000822408329 607271163 /nfs/dbraw/zinc/27/11/63/607271163.db2.gz BLEBBSCVDJSDIS-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822419971 607271192 /nfs/dbraw/zinc/27/11/92/607271192.db2.gz XZTNKQAIYVCGSV-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822419971 607271193 /nfs/dbraw/zinc/27/11/93/607271193.db2.gz XZTNKQAIYVCGSV-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379606 599243310 /nfs/dbraw/zinc/24/33/10/599243310.db2.gz FAPMGPVPVGMARM-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379606 599243312 /nfs/dbraw/zinc/24/33/12/599243312.db2.gz FAPMGPVPVGMARM-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM CC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1OC(F)F ZINC000819765328 607269308 /nfs/dbraw/zinc/26/93/08/607269308.db2.gz OOCUYKCCHIXBQV-ZHACJKMWSA-N -1 3 385.374 3.819 20 0 GHADHM CC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1OC(F)F ZINC000819765328 607269309 /nfs/dbraw/zinc/26/93/09/607269309.db2.gz OOCUYKCCHIXBQV-ZHACJKMWSA-N -1 3 385.374 3.819 20 0 GHADHM CC(C)C1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735749568 599246878 /nfs/dbraw/zinc/24/68/78/599246878.db2.gz NGMNGBRNFJWMJI-UHFFFAOYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)C1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735749568 599246881 /nfs/dbraw/zinc/24/68/81/599246881.db2.gz NGMNGBRNFJWMJI-UHFFFAOYSA-N -1 3 395.463 3.547 20 0 GHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000818053995 597246284 /nfs/dbraw/zinc/24/62/84/597246284.db2.gz VKSHXLSAGOLHQV-HNNXBMFYSA-N -1 3 387.501 3.952 20 0 GHADHM CC(C)COc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820102798 599256569 /nfs/dbraw/zinc/25/65/69/599256569.db2.gz KWSFPPJHXQAXBY-CQSZACIVSA-N -1 3 380.452 3.784 20 0 GHADHM CC(C)COc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820102798 599256570 /nfs/dbraw/zinc/25/65/70/599256570.db2.gz KWSFPPJHXQAXBY-CQSZACIVSA-N -1 3 380.452 3.784 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3ccccc3)CC2)cccc1-c1nnn[n-]1 ZINC000822085005 607285647 /nfs/dbraw/zinc/28/56/47/607285647.db2.gz VROHRUOANUQCDE-UHFFFAOYSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822085005 607285648 /nfs/dbraw/zinc/28/56/48/607285648.db2.gz VROHRUOANUQCDE-UHFFFAOYSA-N -1 3 376.464 3.662 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822084328 607289590 /nfs/dbraw/zinc/28/95/90/607289590.db2.gz IZSYUWNWVKYEJY-HNNXBMFYSA-N -1 3 394.504 3.821 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822084328 607289591 /nfs/dbraw/zinc/28/95/91/607289591.db2.gz IZSYUWNWVKYEJY-HNNXBMFYSA-N -1 3 394.504 3.821 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820352370 599262072 /nfs/dbraw/zinc/26/20/72/599262072.db2.gz VBVSMMGLCHDFSE-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820352370 599262076 /nfs/dbraw/zinc/26/20/76/599262076.db2.gz VBVSMMGLCHDFSE-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM Cc1c(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084554 607292398 /nfs/dbraw/zinc/29/23/98/607292398.db2.gz MSIBNLITRSSZIQ-KRWDZBQOSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1c(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822084554 607292399 /nfs/dbraw/zinc/29/23/99/607292399.db2.gz MSIBNLITRSSZIQ-KRWDZBQOSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822210423 599258621 /nfs/dbraw/zinc/25/86/21/599258621.db2.gz AQJRFZRXQZMADW-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822210423 599258623 /nfs/dbraw/zinc/25/86/23/599258623.db2.gz AQJRFZRXQZMADW-AWEZNQCLSA-N -1 3 380.452 3.845 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913058 599260188 /nfs/dbraw/zinc/26/01/88/599260188.db2.gz CHTCUDGGGSHKHJ-JXFKEZNVSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913058 599260189 /nfs/dbraw/zinc/26/01/89/599260189.db2.gz CHTCUDGGGSHKHJ-JXFKEZNVSA-N -1 3 392.507 3.899 20 0 GHADHM CCC(CC)(CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)SC ZINC000820887797 599263026 /nfs/dbraw/zinc/26/30/26/599263026.db2.gz RFKIJYBJMKFOEA-UHFFFAOYSA-N -1 3 392.529 3.697 20 0 GHADHM CCC(CC)(CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)SC ZINC000820887797 599263028 /nfs/dbraw/zinc/26/30/28/599263028.db2.gz RFKIJYBJMKFOEA-UHFFFAOYSA-N -1 3 392.529 3.697 20 0 GHADHM COc1ccc(CNc2cccc(-c3csc(C)n3)c2)cc1-c1nnn[n-]1 ZINC000821821786 607309163 /nfs/dbraw/zinc/30/91/63/607309163.db2.gz WUDUGRNOVJGUHJ-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM COc1ccc(CNc2cccc(-c3csc(C)n3)c2)cc1-c1nn[n-]n1 ZINC000821821786 607309164 /nfs/dbraw/zinc/30/91/64/607309164.db2.gz WUDUGRNOVJGUHJ-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820876062 599264480 /nfs/dbraw/zinc/26/44/80/599264480.db2.gz KZVAZNBMYFEEQI-KGLIPLIRSA-N -1 3 380.452 3.927 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820876062 599264482 /nfs/dbraw/zinc/26/44/82/599264482.db2.gz KZVAZNBMYFEEQI-KGLIPLIRSA-N -1 3 380.452 3.927 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000823757773 607311247 /nfs/dbraw/zinc/31/12/47/607311247.db2.gz VILKGIQSZVAZIX-UHFFFAOYSA-N -1 3 392.492 3.525 20 0 GHADHM O=C(Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1)N1CCCCCC1 ZINC000823350637 607315149 /nfs/dbraw/zinc/31/51/49/607315149.db2.gz VIFBLMDVBCYUPO-UHFFFAOYSA-N -1 3 391.479 3.887 20 0 GHADHM O=C(Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1)N1CCCCCC1 ZINC000823350637 607315150 /nfs/dbraw/zinc/31/51/50/607315150.db2.gz VIFBLMDVBCYUPO-UHFFFAOYSA-N -1 3 391.479 3.887 20 0 GHADHM c1cc(CSC2CCOCC2)cc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823751144 607318023 /nfs/dbraw/zinc/31/80/23/607318023.db2.gz ACSXEQSLILHHQT-UHFFFAOYSA-N -1 3 381.505 3.891 20 0 GHADHM c1cc(CSC2CCOCC2)cc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823751144 607318024 /nfs/dbraw/zinc/31/80/24/607318024.db2.gz ACSXEQSLILHHQT-UHFFFAOYSA-N -1 3 381.505 3.891 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccc(CC)o1 ZINC000736637583 599278992 /nfs/dbraw/zinc/27/89/92/599278992.db2.gz UBPMQEIMLBOUQS-INIZCTEOSA-N -1 3 396.451 3.790 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccc(CC)o1 ZINC000736637583 599278995 /nfs/dbraw/zinc/27/89/95/599278995.db2.gz UBPMQEIMLBOUQS-INIZCTEOSA-N -1 3 396.451 3.790 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000735588129 599282377 /nfs/dbraw/zinc/28/23/77/599282377.db2.gz ARLZZUSSHZGZIB-INIZCTEOSA-N -1 3 399.417 3.509 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000735588129 599282380 /nfs/dbraw/zinc/28/23/80/599282380.db2.gz ARLZZUSSHZGZIB-INIZCTEOSA-N -1 3 399.417 3.509 20 0 GHADHM CCOCCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736613977 599285849 /nfs/dbraw/zinc/28/58/49/599285849.db2.gz CIBNPRUBMSNGLC-UHFFFAOYSA-N -1 3 398.488 3.742 20 0 GHADHM CCOCCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736613977 599285852 /nfs/dbraw/zinc/28/58/52/599285852.db2.gz CIBNPRUBMSNGLC-UHFFFAOYSA-N -1 3 398.488 3.742 20 0 GHADHM CN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821614859 599286584 /nfs/dbraw/zinc/28/65/84/599286584.db2.gz XLCWTGMJIUPLBZ-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821614859 599286586 /nfs/dbraw/zinc/28/65/86/599286586.db2.gz XLCWTGMJIUPLBZ-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM C[C@H](Sc1nnc(Cc2ccccc2F)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194104 599289466 /nfs/dbraw/zinc/28/94/66/599289466.db2.gz ZBORHHMMKGQREJ-NSHDSACASA-N -1 3 382.424 3.833 20 0 GHADHM C[C@H](Sc1nnc(Cc2ccccc2F)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194104 599289468 /nfs/dbraw/zinc/28/94/68/599289468.db2.gz ZBORHHMMKGQREJ-NSHDSACASA-N -1 3 382.424 3.833 20 0 GHADHM Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cccc1-c1nnn[n-]1 ZINC000822116310 607321947 /nfs/dbraw/zinc/32/19/47/607321947.db2.gz PIRYXLDVUDSPPR-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cccc1-c1nn[n-]n1 ZINC000822116310 607321948 /nfs/dbraw/zinc/32/19/48/607321948.db2.gz PIRYXLDVUDSPPR-UHFFFAOYSA-N -1 3 387.447 3.737 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000822237412 599290348 /nfs/dbraw/zinc/29/03/48/599290348.db2.gz SFINBDPLCKJSAO-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000822237412 599290349 /nfs/dbraw/zinc/29/03/49/599290349.db2.gz SFINBDPLCKJSAO-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cnoc1-c1ccc(Cl)s1 ZINC000821765615 607332057 /nfs/dbraw/zinc/33/20/57/607332057.db2.gz HVMNBWBPGNEJJR-UHFFFAOYSA-N -1 3 388.840 3.857 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736459597 598231822 /nfs/dbraw/zinc/23/18/22/598231822.db2.gz FNCFCNISRIUCSR-CQSZACIVSA-N -1 3 381.436 3.803 20 0 GHADHM CCCCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736459597 598231824 /nfs/dbraw/zinc/23/18/24/598231824.db2.gz FNCFCNISRIUCSR-CQSZACIVSA-N -1 3 381.436 3.803 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736170956 598239172 /nfs/dbraw/zinc/23/91/72/598239172.db2.gz TWERCYAMDFIIDD-HNNXBMFYSA-N -1 3 393.491 3.809 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738151439 598254882 /nfs/dbraw/zinc/25/48/82/598254882.db2.gz IJINQNRAFQJAHN-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738151439 598254883 /nfs/dbraw/zinc/25/48/83/598254883.db2.gz IJINQNRAFQJAHN-UHFFFAOYSA-N -1 3 384.390 3.556 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCCO3)cc1-c1nnn[n-]1 ZINC000822727928 607346989 /nfs/dbraw/zinc/34/69/89/607346989.db2.gz CCRVLHWRWOPGCG-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCCO3)cc1-c1nn[n-]n1 ZINC000822727928 607346991 /nfs/dbraw/zinc/34/69/91/607346991.db2.gz CCRVLHWRWOPGCG-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1OC ZINC000737095623 598274475 /nfs/dbraw/zinc/27/44/75/598274475.db2.gz KWLIAMMXVCTWIZ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736479222 598274968 /nfs/dbraw/zinc/27/49/68/598274968.db2.gz DVKWLMKTAPSDSE-UHFFFAOYSA-N -1 3 381.484 3.867 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736479222 598274971 /nfs/dbraw/zinc/27/49/71/598274971.db2.gz DVKWLMKTAPSDSE-UHFFFAOYSA-N -1 3 381.484 3.867 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000735661075 598275747 /nfs/dbraw/zinc/27/57/47/598275747.db2.gz QYUGGXZTBWFGBW-KRWDZBQOSA-N -1 3 393.495 3.662 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000735661075 598275749 /nfs/dbraw/zinc/27/57/49/598275749.db2.gz QYUGGXZTBWFGBW-KRWDZBQOSA-N -1 3 393.495 3.662 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cnn(-c2ccccc2)c1 ZINC000737633363 598276022 /nfs/dbraw/zinc/27/60/22/598276022.db2.gz QTMSVDMUEOIUDS-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000738385701 598276053 /nfs/dbraw/zinc/27/60/53/598276053.db2.gz XUHWXQVLCHIRSL-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(OC)cc1 ZINC000736364334 598276136 /nfs/dbraw/zinc/27/61/36/598276136.db2.gz RBKDYHQHQGGNAN-INIZCTEOSA-N -1 3 397.483 3.705 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(OC)cc1 ZINC000736364334 598276137 /nfs/dbraw/zinc/27/61/37/598276137.db2.gz RBKDYHQHQGGNAN-INIZCTEOSA-N -1 3 397.483 3.705 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736200481 598276151 /nfs/dbraw/zinc/27/61/51/598276151.db2.gz SQWKIZYSZJPRBO-GFCCVEGCSA-N -1 3 385.447 3.787 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736200481 598276152 /nfs/dbraw/zinc/27/61/52/598276152.db2.gz SQWKIZYSZJPRBO-GFCCVEGCSA-N -1 3 385.447 3.787 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736200482 598276304 /nfs/dbraw/zinc/27/63/04/598276304.db2.gz SQWKIZYSZJPRBO-LBPRGKRZSA-N -1 3 385.447 3.787 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736200482 598276305 /nfs/dbraw/zinc/27/63/05/598276305.db2.gz SQWKIZYSZJPRBO-LBPRGKRZSA-N -1 3 385.447 3.787 20 0 GHADHM CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)[C@@H]1CCCc2ccccc21 ZINC000736739103 598277138 /nfs/dbraw/zinc/27/71/38/598277138.db2.gz JPRIWQLDPKSPDL-QGZVFWFLSA-N -1 3 393.495 3.965 20 0 GHADHM CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)[C@@H]1CCCc2ccccc21 ZINC000736739103 598277140 /nfs/dbraw/zinc/27/71/40/598277140.db2.gz JPRIWQLDPKSPDL-QGZVFWFLSA-N -1 3 393.495 3.965 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cc(F)ccc1F ZINC000736115797 598278095 /nfs/dbraw/zinc/27/80/95/598278095.db2.gz JQZXDOXZGMUVRY-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cc(F)ccc1F ZINC000736115797 598278097 /nfs/dbraw/zinc/27/80/97/598278097.db2.gz JQZXDOXZGMUVRY-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1sccc1OC(F)F ZINC000738206148 598278340 /nfs/dbraw/zinc/27/83/40/598278340.db2.gz DQOZPXALMZFRQZ-UHFFFAOYSA-N -1 3 397.432 3.722 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1sccc1OC(F)F ZINC000738206148 598278342 /nfs/dbraw/zinc/27/83/42/598278342.db2.gz DQOZPXALMZFRQZ-UHFFFAOYSA-N -1 3 397.432 3.722 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737810281 598278380 /nfs/dbraw/zinc/27/83/80/598278380.db2.gz YSAZAPXOTBZGRP-SREVYHEPSA-N -1 3 392.419 3.781 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737810281 598278383 /nfs/dbraw/zinc/27/83/83/598278383.db2.gz YSAZAPXOTBZGRP-SREVYHEPSA-N -1 3 392.419 3.781 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cnc(C2CC2)s1 ZINC000738212630 598278479 /nfs/dbraw/zinc/27/84/79/598278479.db2.gz XXSCNQHWRYMZBH-UHFFFAOYSA-N -1 3 386.506 3.783 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cnc(C2CC2)s1 ZINC000738212630 598278480 /nfs/dbraw/zinc/27/84/80/598278480.db2.gz XXSCNQHWRYMZBH-UHFFFAOYSA-N -1 3 386.506 3.783 20 0 GHADHM CN(CCCCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736793131 598279893 /nfs/dbraw/zinc/27/98/93/598279893.db2.gz SDSHGQOVZBSQME-UHFFFAOYSA-N -1 3 395.511 3.910 20 0 GHADHM CN(CCCCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736793131 598279894 /nfs/dbraw/zinc/27/98/94/598279894.db2.gz SDSHGQOVZBSQME-UHFFFAOYSA-N -1 3 395.511 3.910 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737182582 598282195 /nfs/dbraw/zinc/28/21/95/598282195.db2.gz SDQKWSDZPBMILN-UHFFFAOYSA-N -1 3 397.435 3.892 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737182582 598282197 /nfs/dbraw/zinc/28/21/97/598282197.db2.gz SDQKWSDZPBMILN-UHFFFAOYSA-N -1 3 397.435 3.892 20 0 GHADHM Fc1cccc2c1C1(CCC1)CN2C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737663161 598295823 /nfs/dbraw/zinc/29/58/23/598295823.db2.gz HCDJCEFXZVDYOQ-UHFFFAOYSA-N -1 3 380.452 3.645 20 0 GHADHM Fc1cccc2c1C1(CCC1)CN2C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737663161 598295825 /nfs/dbraw/zinc/29/58/25/598295825.db2.gz HCDJCEFXZVDYOQ-UHFFFAOYSA-N -1 3 380.452 3.645 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736330419 598297362 /nfs/dbraw/zinc/29/73/62/598297362.db2.gz YAZIDWXVMLBINS-GAJOTYCWSA-N -1 3 394.431 3.671 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736330419 598297364 /nfs/dbraw/zinc/29/73/64/598297364.db2.gz YAZIDWXVMLBINS-GAJOTYCWSA-N -1 3 394.431 3.671 20 0 GHADHM CCCC[C@@H](CC)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736437015 598307649 /nfs/dbraw/zinc/30/76/49/598307649.db2.gz CESHGNGCWXCESU-CQSZACIVSA-N -1 3 383.452 3.553 20 0 GHADHM CCCC[C@@H](CC)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736437015 598307650 /nfs/dbraw/zinc/30/76/50/598307650.db2.gz CESHGNGCWXCESU-CQSZACIVSA-N -1 3 383.452 3.553 20 0 GHADHM CC(C)c1ccc2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)[nH]c2c1 ZINC000735929446 598308683 /nfs/dbraw/zinc/30/86/83/598308683.db2.gz ZGWBWLYWURIVKW-UHFFFAOYSA-N -1 3 378.411 3.541 20 0 GHADHM CC(C)c1ccc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)[nH]c2c1 ZINC000735929446 598308685 /nfs/dbraw/zinc/30/86/85/598308685.db2.gz ZGWBWLYWURIVKW-UHFFFAOYSA-N -1 3 378.411 3.541 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736123280 598316575 /nfs/dbraw/zinc/31/65/75/598316575.db2.gz AWZLDGBBMGPMKD-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736123280 598316576 /nfs/dbraw/zinc/31/65/76/598316576.db2.gz AWZLDGBBMGPMKD-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735924819 598317111 /nfs/dbraw/zinc/31/71/11/598317111.db2.gz VNEHUCROJZEZEV-CYBMUJFWSA-N -1 3 382.443 3.690 20 0 GHADHM CC(C)c1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735924819 598317112 /nfs/dbraw/zinc/31/71/12/598317112.db2.gz VNEHUCROJZEZEV-CYBMUJFWSA-N -1 3 382.443 3.690 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)ccc1F ZINC000736126998 598320143 /nfs/dbraw/zinc/32/01/43/598320143.db2.gz QALBDZCSTIVPSB-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1F ZINC000736126998 598320144 /nfs/dbraw/zinc/32/01/44/598320144.db2.gz QALBDZCSTIVPSB-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736328838 598323229 /nfs/dbraw/zinc/32/32/29/598323229.db2.gz QLJREPWYGTZRKJ-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736328838 598323231 /nfs/dbraw/zinc/32/32/31/598323231.db2.gz QLJREPWYGTZRKJ-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)CCOc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735819333 598323613 /nfs/dbraw/zinc/32/36/13/598323613.db2.gz IUKMOCIJFNOHNS-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CC(C)CCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735819333 598323614 /nfs/dbraw/zinc/32/36/14/598323614.db2.gz IUKMOCIJFNOHNS-UHFFFAOYSA-N -1 3 398.442 3.752 20 0 GHADHM CSc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737191756 598323835 /nfs/dbraw/zinc/32/38/35/598323835.db2.gz VFBLYOZAHOYXFH-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM CSc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737191756 598323836 /nfs/dbraw/zinc/32/38/36/598323836.db2.gz VFBLYOZAHOYXFH-UHFFFAOYSA-N -1 3 392.847 3.703 20 0 GHADHM C[C@@H](NC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccs1 ZINC000736127969 598324083 /nfs/dbraw/zinc/32/40/83/598324083.db2.gz UFGIWTPHMVXURV-GFCCVEGCSA-N -1 3 384.534 3.528 20 0 GHADHM C[C@@H](NC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccs1 ZINC000736127969 598324085 /nfs/dbraw/zinc/32/40/85/598324085.db2.gz UFGIWTPHMVXURV-GFCCVEGCSA-N -1 3 384.534 3.528 20 0 GHADHM COc1ccc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737074799 598324380 /nfs/dbraw/zinc/32/43/80/598324380.db2.gz ZHXAVSVWZWQARK-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737074799 598324381 /nfs/dbraw/zinc/32/43/81/598324381.db2.gz ZHXAVSVWZWQARK-JTQLQIEISA-N -1 3 388.884 3.576 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737325792 598324631 /nfs/dbraw/zinc/32/46/31/598324631.db2.gz IPOMDYRCUSJDAS-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737325792 598324632 /nfs/dbraw/zinc/32/46/32/598324632.db2.gz IPOMDYRCUSJDAS-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736271853 598327334 /nfs/dbraw/zinc/32/73/34/598327334.db2.gz OWCXMNGYBBCLEY-GDBMZVCRSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736271853 598327335 /nfs/dbraw/zinc/32/73/35/598327335.db2.gz OWCXMNGYBBCLEY-GDBMZVCRSA-N -1 3 395.463 3.595 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccnc2c(Br)cccc12 ZINC000736823335 598342694 /nfs/dbraw/zinc/34/26/94/598342694.db2.gz XBUOFSGRMPBRRJ-UHFFFAOYSA-N -1 3 395.264 3.814 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096144 598379358 /nfs/dbraw/zinc/37/93/58/598379358.db2.gz AJWXTCPBCBCVJE-YWZLYKJASA-N -1 3 391.475 3.744 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096144 598379361 /nfs/dbraw/zinc/37/93/61/598379361.db2.gz AJWXTCPBCBCVJE-YWZLYKJASA-N -1 3 391.475 3.744 20 0 GHADHM COc1cc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(C)C ZINC000737043955 598389384 /nfs/dbraw/zinc/38/93/84/598389384.db2.gz YEGMJBSHICGKCL-NSHDSACASA-N -1 3 388.859 3.884 20 0 GHADHM COc1cc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(C)C ZINC000737043955 598389388 /nfs/dbraw/zinc/38/93/88/598389388.db2.gz YEGMJBSHICGKCL-NSHDSACASA-N -1 3 388.859 3.884 20 0 GHADHM COc1cccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3C)cs2)c1 ZINC000737121470 598394747 /nfs/dbraw/zinc/39/47/47/598394747.db2.gz ZRMGZWIFCISWEZ-UHFFFAOYSA-N -1 3 379.445 3.886 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000735836727 598395344 /nfs/dbraw/zinc/39/53/44/598395344.db2.gz CYOPRUDLHAHOEP-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)COc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000735836727 598395346 /nfs/dbraw/zinc/39/53/46/598395346.db2.gz CYOPRUDLHAHOEP-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000736672133 598396478 /nfs/dbraw/zinc/39/64/78/598396478.db2.gz ZJQLRFSHOVPQML-GJZGRUSLSA-N -1 3 383.477 3.550 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000736672133 598396479 /nfs/dbraw/zinc/39/64/79/598396479.db2.gz ZJQLRFSHOVPQML-GJZGRUSLSA-N -1 3 383.477 3.550 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737198421 598413406 /nfs/dbraw/zinc/41/34/06/598413406.db2.gz HTRGMBZNUHTHFC-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737198421 598413408 /nfs/dbraw/zinc/41/34/08/598413408.db2.gz HTRGMBZNUHTHFC-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735734636 598416326 /nfs/dbraw/zinc/41/63/26/598416326.db2.gz IMJOBHZVZIGUDC-GOSISDBHSA-N -1 3 381.505 3.642 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735734636 598416327 /nfs/dbraw/zinc/41/63/27/598416327.db2.gz IMJOBHZVZIGUDC-GOSISDBHSA-N -1 3 381.505 3.642 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738208103 598420057 /nfs/dbraw/zinc/42/00/57/598420057.db2.gz KAAYYLBVINKNKX-QWRGUYRKSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738208103 598420059 /nfs/dbraw/zinc/42/00/59/598420059.db2.gz KAAYYLBVINKNKX-QWRGUYRKSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000520352268 598420658 /nfs/dbraw/zinc/42/06/58/598420658.db2.gz QKUAYMFUVJCIJH-LSDHHAIUSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000520352268 598420661 /nfs/dbraw/zinc/42/06/61/598420661.db2.gz QKUAYMFUVJCIJH-LSDHHAIUSA-N -1 3 388.258 3.593 20 0 GHADHM Cc1sc(NC(=O)CCOc2cc(C)cc(C)c2C)c(-c2nnn[n-]2)c1C ZINC000737245623 598421481 /nfs/dbraw/zinc/42/14/81/598421481.db2.gz GVANRSAOCIWXGP-UHFFFAOYSA-N -1 3 385.493 3.878 20 0 GHADHM Cc1sc(NC(=O)CCOc2cc(C)cc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000737245623 598421483 /nfs/dbraw/zinc/42/14/83/598421483.db2.gz GVANRSAOCIWXGP-UHFFFAOYSA-N -1 3 385.493 3.878 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737194522 598422593 /nfs/dbraw/zinc/42/25/93/598422593.db2.gz NGWGQBUQEMWGOM-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737194522 598422595 /nfs/dbraw/zinc/42/25/95/598422595.db2.gz NGWGQBUQEMWGOM-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCc1ccccc1 ZINC000735874174 598427202 /nfs/dbraw/zinc/42/72/02/598427202.db2.gz IGAMOEIIYVRPKF-UHFFFAOYSA-N -1 3 392.507 3.810 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCc1ccccc1 ZINC000735874174 598427204 /nfs/dbraw/zinc/42/72/04/598427204.db2.gz IGAMOEIIYVRPKF-UHFFFAOYSA-N -1 3 392.507 3.810 20 0 GHADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501213 598443242 /nfs/dbraw/zinc/44/32/42/598443242.db2.gz APQSRKPCTSGZRG-LSDHHAIUSA-N -1 3 379.464 3.589 20 0 GHADHM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501213 598443244 /nfs/dbraw/zinc/44/32/44/598443244.db2.gz APQSRKPCTSGZRG-LSDHHAIUSA-N -1 3 379.464 3.589 20 0 GHADHM Cc1cccc(C)c1Oc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737389691 598447069 /nfs/dbraw/zinc/44/70/69/598447069.db2.gz NJXCKGIYXWVJDK-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cccc(C)c1Oc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737389691 598447071 /nfs/dbraw/zinc/44/70/71/598447071.db2.gz NJXCKGIYXWVJDK-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000738261450 598454865 /nfs/dbraw/zinc/45/48/65/598454865.db2.gz OMUJFTGUTWRZNR-UHFFFAOYSA-N -1 3 382.855 3.500 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000738261450 598454866 /nfs/dbraw/zinc/45/48/66/598454866.db2.gz OMUJFTGUTWRZNR-UHFFFAOYSA-N -1 3 382.855 3.500 20 0 GHADHM Cc1oc(NC(=O)[C@@H](C)N(C)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1C ZINC000822540456 607357829 /nfs/dbraw/zinc/35/78/29/607357829.db2.gz BCCIIFNUQHFXHS-CYBMUJFWSA-N -1 3 390.447 3.693 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccc(F)cc2)o1 ZINC000736627688 598471142 /nfs/dbraw/zinc/47/11/42/598471142.db2.gz RLFNGFWHNLFPGD-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccc(F)cc2)o1 ZINC000736627688 598471145 /nfs/dbraw/zinc/47/11/45/598471145.db2.gz RLFNGFWHNLFPGD-UHFFFAOYSA-N -1 3 381.367 3.639 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000735906712 598475852 /nfs/dbraw/zinc/47/58/52/598475852.db2.gz UEOSPOVRGPYPHS-OAHLLOKOSA-N -1 3 394.479 3.921 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000735906712 598475854 /nfs/dbraw/zinc/47/58/54/598475854.db2.gz UEOSPOVRGPYPHS-OAHLLOKOSA-N -1 3 394.479 3.921 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157236 598485839 /nfs/dbraw/zinc/48/58/39/598485839.db2.gz IHRKPSFJNMHRSM-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157236 598485840 /nfs/dbraw/zinc/48/58/40/598485840.db2.gz IHRKPSFJNMHRSM-QMMMGPOBSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148453 598485945 /nfs/dbraw/zinc/48/59/45/598485945.db2.gz CVNMRMOHXNBBAJ-ZEBCKKTISA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148453 598485946 /nfs/dbraw/zinc/48/59/46/598485946.db2.gz CVNMRMOHXNBBAJ-ZEBCKKTISA-N -1 3 389.209 3.540 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737546675 598487353 /nfs/dbraw/zinc/48/73/53/598487353.db2.gz FUNFXUCKJUCERF-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737546675 598487356 /nfs/dbraw/zinc/48/73/56/598487356.db2.gz FUNFXUCKJUCERF-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735654866 598488934 /nfs/dbraw/zinc/48/89/34/598488934.db2.gz JYRDAVFAJCKADA-ZYHUDNBSSA-N -1 3 384.406 3.730 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000735654866 598488937 /nfs/dbraw/zinc/48/89/37/598488937.db2.gz JYRDAVFAJCKADA-ZYHUDNBSSA-N -1 3 384.406 3.730 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCCC2)ccc1C ZINC000737041002 598494954 /nfs/dbraw/zinc/49/49/54/598494954.db2.gz HHWCAFVLUGVWKL-UHFFFAOYSA-N -1 3 395.438 3.773 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCCC2)ccc1C ZINC000737041002 598494955 /nfs/dbraw/zinc/49/49/55/598494955.db2.gz HHWCAFVLUGVWKL-UHFFFAOYSA-N -1 3 395.438 3.773 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785840 598513566 /nfs/dbraw/zinc/51/35/66/598513566.db2.gz HGVJOHSFCLYAEE-ZIAGYGMSSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000110785840 598513567 /nfs/dbraw/zinc/51/35/67/598513567.db2.gz HGVJOHSFCLYAEE-ZIAGYGMSSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206890 598514349 /nfs/dbraw/zinc/51/43/49/598514349.db2.gz HRWZAPXSEMMVKD-ZJUUUORDSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738206890 598514352 /nfs/dbraw/zinc/51/43/52/598514352.db2.gz HRWZAPXSEMMVKD-ZJUUUORDSA-N -1 3 380.260 3.977 20 0 GHADHM CCc1c(C)sc(NC(=O)c2nc(Cl)ccc2Cl)c1-c1nnn[n-]1 ZINC000736679393 598518193 /nfs/dbraw/zinc/51/81/93/598518193.db2.gz SOMDRENZOGYSBL-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)c2nc(Cl)ccc2Cl)c1-c1nn[n-]n1 ZINC000736679393 598518195 /nfs/dbraw/zinc/51/81/95/598518195.db2.gz SOMDRENZOGYSBL-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc(OC(F)F)c2)c1-c1nnn[n-]1 ZINC000736675784 598518655 /nfs/dbraw/zinc/51/86/55/598518655.db2.gz NEACWNROIZRVPX-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc(OC(F)F)c2)c1-c1nn[n-]n1 ZINC000736675784 598518657 /nfs/dbraw/zinc/51/86/57/598518657.db2.gz NEACWNROIZRVPX-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM Brc1cccc2c1CC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735369879 598522170 /nfs/dbraw/zinc/52/21/70/598522170.db2.gz ZRUZXJLVKCKEBW-INIZCTEOSA-N -1 3 397.280 3.612 20 0 GHADHM Brc1cccc2c1CC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735369879 598522171 /nfs/dbraw/zinc/52/21/71/598522171.db2.gz ZRUZXJLVKCKEBW-INIZCTEOSA-N -1 3 397.280 3.612 20 0 GHADHM CC[C@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736325479 598537241 /nfs/dbraw/zinc/53/72/41/598537241.db2.gz KDECEVNPPSWXAV-AWEZNQCLSA-N -1 3 396.520 3.839 20 0 GHADHM CC[C@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736325479 598537244 /nfs/dbraw/zinc/53/72/44/598537244.db2.gz KDECEVNPPSWXAV-AWEZNQCLSA-N -1 3 396.520 3.839 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1Cl ZINC000737930048 598544218 /nfs/dbraw/zinc/54/42/18/598544218.db2.gz AQTBFLHXUIRDJT-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1Cl ZINC000737930048 598544219 /nfs/dbraw/zinc/54/42/19/598544219.db2.gz AQTBFLHXUIRDJT-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C1Oc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738314916 598546994 /nfs/dbraw/zinc/54/69/94/598546994.db2.gz YKGPDYLFPIQTAK-DEDYPNTBSA-N -1 3 396.406 3.905 20 0 GHADHM O=C1Oc2ccccc2C1=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738314916 598546996 /nfs/dbraw/zinc/54/69/96/598546996.db2.gz YKGPDYLFPIQTAK-DEDYPNTBSA-N -1 3 396.406 3.905 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cn2ccccc2n1 ZINC000738171605 598555952 /nfs/dbraw/zinc/55/59/52/598555952.db2.gz HCQLWXQSWIKPRB-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cn2ccccc2n1 ZINC000738171605 598555954 /nfs/dbraw/zinc/55/59/54/598555954.db2.gz HCQLWXQSWIKPRB-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736529112 598558708 /nfs/dbraw/zinc/55/87/08/598558708.db2.gz IVOBRGLWGBVKTQ-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736529112 598558709 /nfs/dbraw/zinc/55/87/09/598558709.db2.gz IVOBRGLWGBVKTQ-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736506079 598562966 /nfs/dbraw/zinc/56/29/66/598562966.db2.gz QMFIUMWZAWQZMG-HNNXBMFYSA-N -1 3 394.479 3.669 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736506079 598562967 /nfs/dbraw/zinc/56/29/67/598562967.db2.gz QMFIUMWZAWQZMG-HNNXBMFYSA-N -1 3 394.479 3.669 20 0 GHADHM O=C(NCCc1ccco1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738087910 598564680 /nfs/dbraw/zinc/56/46/80/598564680.db2.gz LQSNXZVFDRCWQP-UHFFFAOYSA-N -1 3 390.403 3.616 20 0 GHADHM O=C(NCCc1ccco1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738087910 598564682 /nfs/dbraw/zinc/56/46/82/598564682.db2.gz LQSNXZVFDRCWQP-UHFFFAOYSA-N -1 3 390.403 3.616 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000736481711 598568029 /nfs/dbraw/zinc/56/80/29/598568029.db2.gz ZRAHKLUXSMPRCR-DLBZAZTESA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000736481711 598568030 /nfs/dbraw/zinc/56/80/30/598568030.db2.gz ZRAHKLUXSMPRCR-DLBZAZTESA-N -1 3 397.429 3.687 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000736678300 598568257 /nfs/dbraw/zinc/56/82/57/598568257.db2.gz BFCAFVVPZQGHFZ-WDEREUQCSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000736678300 598568258 /nfs/dbraw/zinc/56/82/58/598568258.db2.gz BFCAFVVPZQGHFZ-WDEREUQCSA-N -1 3 375.404 3.511 20 0 GHADHM O=C(N[C@H]1CCc2c1cccc2O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738033585 598568364 /nfs/dbraw/zinc/56/83/64/598568364.db2.gz CGSSGMIOGONKSG-FQEVSTJZSA-N -1 3 397.438 3.657 20 0 GHADHM O=C(N[C@H]1CCc2c1cccc2O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738033585 598568366 /nfs/dbraw/zinc/56/83/66/598568366.db2.gz CGSSGMIOGONKSG-FQEVSTJZSA-N -1 3 397.438 3.657 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc(-c2ccccc2Cl)s1 ZINC000738191022 598573853 /nfs/dbraw/zinc/57/38/53/598573853.db2.gz HKLXWYBUODPENE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnc(-c2ccccc2Cl)s1 ZINC000738191022 598573855 /nfs/dbraw/zinc/57/38/55/598573855.db2.gz HKLXWYBUODPENE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Clc1cccc(Cc2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737576079 598581933 /nfs/dbraw/zinc/58/19/33/598581933.db2.gz TWOCTLVWWVTRAJ-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1cccc(Cc2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737576079 598581934 /nfs/dbraw/zinc/58/19/34/598581934.db2.gz TWOCTLVWWVTRAJ-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM O=C(Nc1cccc(-n2cccc2)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738177789 598584033 /nfs/dbraw/zinc/58/40/33/598584033.db2.gz FAFYBCUPROYZES-UHFFFAOYSA-N -1 3 399.458 3.854 20 0 GHADHM O=C(Nc1cccc(-n2cccc2)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738177789 598584035 /nfs/dbraw/zinc/58/40/35/598584035.db2.gz FAFYBCUPROYZES-UHFFFAOYSA-N -1 3 399.458 3.854 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735913401 598584431 /nfs/dbraw/zinc/58/44/31/598584431.db2.gz CEMGUQZTZRVANK-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735913401 598584432 /nfs/dbraw/zinc/58/44/32/598584432.db2.gz CEMGUQZTZRVANK-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CSCc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737186129 598587925 /nfs/dbraw/zinc/58/79/25/598587925.db2.gz HQANOOBOASTBJI-UHFFFAOYSA-N -1 3 385.518 3.602 20 0 GHADHM CSCc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737186129 598587927 /nfs/dbraw/zinc/58/79/27/598587927.db2.gz HQANOOBOASTBJI-UHFFFAOYSA-N -1 3 385.518 3.602 20 0 GHADHM Cn1c2ccccc2nc1-c1cccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737591630 598607824 /nfs/dbraw/zinc/60/78/24/598607824.db2.gz VXVJZJQVGCSZMS-UHFFFAOYSA-N -1 3 396.410 3.640 20 0 GHADHM Cn1c2ccccc2nc1-c1cccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737591630 598607826 /nfs/dbraw/zinc/60/78/26/598607826.db2.gz VXVJZJQVGCSZMS-UHFFFAOYSA-N -1 3 396.410 3.640 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738173700 598612901 /nfs/dbraw/zinc/61/29/01/598612901.db2.gz NNEPLOLRWIRCJQ-UHFFFAOYSA-N -1 3 390.472 3.835 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1sccc1-c1nn[n-]n1 ZINC000738173700 598612902 /nfs/dbraw/zinc/61/29/02/598612902.db2.gz NNEPLOLRWIRCJQ-UHFFFAOYSA-N -1 3 390.472 3.835 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CCC(c2ccccc2)CC1 ZINC000738168321 598625477 /nfs/dbraw/zinc/62/54/77/598625477.db2.gz ZQPFFUHXMJCYIL-UHFFFAOYSA-N -1 3 380.427 3.854 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CCC(c2ccccc2)CC1 ZINC000738168321 598625478 /nfs/dbraw/zinc/62/54/78/598625478.db2.gz ZQPFFUHXMJCYIL-UHFFFAOYSA-N -1 3 380.427 3.854 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738040973 598626673 /nfs/dbraw/zinc/62/66/73/598626673.db2.gz VJNGYDHGROSMAZ-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738040973 598626674 /nfs/dbraw/zinc/62/66/74/598626674.db2.gz VJNGYDHGROSMAZ-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM Fc1ccc(C2(CNc3c(Cl)cccc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000737647956 598635309 /nfs/dbraw/zinc/63/53/09/598635309.db2.gz GDPVSSNTMQTERC-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(C2(CNc3c(Cl)cccc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737647956 598635311 /nfs/dbraw/zinc/63/53/11/598635311.db2.gz GDPVSSNTMQTERC-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3ccc(F)cc3-c3nnn[n-]3)o2)c1 ZINC000737412396 598642166 /nfs/dbraw/zinc/64/21/66/598642166.db2.gz XVUARFNRQKUSHO-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3ccc(F)cc3-c3nn[n-]n3)o2)c1 ZINC000737412396 598642168 /nfs/dbraw/zinc/64/21/68/598642168.db2.gz XVUARFNRQKUSHO-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736298507 598642890 /nfs/dbraw/zinc/64/28/90/598642890.db2.gz QRNGPLMRTSQTLM-AWEZNQCLSA-N -1 3 398.426 3.645 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736298507 598642891 /nfs/dbraw/zinc/64/28/91/598642891.db2.gz QRNGPLMRTSQTLM-AWEZNQCLSA-N -1 3 398.426 3.645 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(CCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737463666 598643621 /nfs/dbraw/zinc/64/36/21/598643621.db2.gz YQQKEDKHIXNIMH-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(CCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737463666 598643623 /nfs/dbraw/zinc/64/36/23/598643623.db2.gz YQQKEDKHIXNIMH-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM Cc1cccc(C)c1OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737388785 598645107 /nfs/dbraw/zinc/64/51/07/598645107.db2.gz FNAAUQVSDCDMTP-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM Cc1cccc(C)c1OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737388785 598645109 /nfs/dbraw/zinc/64/51/09/598645109.db2.gz FNAAUQVSDCDMTP-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736817233 598646496 /nfs/dbraw/zinc/64/64/96/598646496.db2.gz UYRGNGIYRGFTGH-UHFFFAOYSA-N -1 3 399.882 3.728 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736817233 598646498 /nfs/dbraw/zinc/64/64/98/598646498.db2.gz UYRGNGIYRGFTGH-UHFFFAOYSA-N -1 3 399.882 3.728 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736253687 598649592 /nfs/dbraw/zinc/64/95/92/598649592.db2.gz VLTXPJYVQWLRRE-WMLDXEAASA-N -1 3 392.463 3.705 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736253687 598649594 /nfs/dbraw/zinc/64/95/94/598649594.db2.gz VLTXPJYVQWLRRE-WMLDXEAASA-N -1 3 392.463 3.705 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736361706 598650344 /nfs/dbraw/zinc/65/03/44/598650344.db2.gz GIVRWJOXYDGJAV-MRXNPFEDSA-N -1 3 387.896 3.880 20 0 GHADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736361706 598650345 /nfs/dbraw/zinc/65/03/45/598650345.db2.gz GIVRWJOXYDGJAV-MRXNPFEDSA-N -1 3 387.896 3.880 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)c2ncccc12 ZINC000737941206 598650610 /nfs/dbraw/zinc/65/06/10/598650610.db2.gz JHDOMZUGCAWSKN-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c2ncccc12 ZINC000737941206 598650611 /nfs/dbraw/zinc/65/06/11/598650611.db2.gz JHDOMZUGCAWSKN-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736249149 598651817 /nfs/dbraw/zinc/65/18/17/598651817.db2.gz FFKQSWGXRAHLMA-PBHICJAKSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249149 598651818 /nfs/dbraw/zinc/65/18/18/598651818.db2.gz FFKQSWGXRAHLMA-PBHICJAKSA-N -1 3 377.448 3.968 20 0 GHADHM CCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000736467589 598651835 /nfs/dbraw/zinc/65/18/35/598651835.db2.gz GVPZJZYZJCASGH-IBGZPJMESA-N -1 3 393.516 3.885 20 0 GHADHM CCCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000736467589 598651836 /nfs/dbraw/zinc/65/18/36/598651836.db2.gz GVPZJZYZJCASGH-IBGZPJMESA-N -1 3 393.516 3.885 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736481048 598652024 /nfs/dbraw/zinc/65/20/24/598652024.db2.gz RLPHSJMQHRZHHK-UHFFFAOYSA-N -1 3 385.468 3.537 20 0 GHADHM CCCN(Cc1ccc(F)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736481048 598652026 /nfs/dbraw/zinc/65/20/26/598652026.db2.gz RLPHSJMQHRZHHK-UHFFFAOYSA-N -1 3 385.468 3.537 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736249158 598652276 /nfs/dbraw/zinc/65/22/76/598652276.db2.gz FFKQSWGXRAHLMA-YOEHRIQHSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736249158 598652278 /nfs/dbraw/zinc/65/22/78/598652278.db2.gz FFKQSWGXRAHLMA-YOEHRIQHSA-N -1 3 377.448 3.968 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737825697 598653903 /nfs/dbraw/zinc/65/39/03/598653903.db2.gz NXSSJXMMGHTXKB-AWEZNQCLSA-N -1 3 383.477 3.883 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737825697 598653904 /nfs/dbraw/zinc/65/39/04/598653904.db2.gz NXSSJXMMGHTXKB-AWEZNQCLSA-N -1 3 383.477 3.883 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000735905970 598654030 /nfs/dbraw/zinc/65/40/30/598654030.db2.gz OIOKAFUOTUNOEY-UHFFFAOYSA-N -1 3 388.431 3.901 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736327489 598656902 /nfs/dbraw/zinc/65/69/02/598656902.db2.gz LOMLPMRWFCKBIR-ZDUSSCGKSA-N -1 3 383.477 3.775 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736327489 598656903 /nfs/dbraw/zinc/65/69/03/598656903.db2.gz LOMLPMRWFCKBIR-ZDUSSCGKSA-N -1 3 383.477 3.775 20 0 GHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735597215 598664681 /nfs/dbraw/zinc/66/46/81/598664681.db2.gz NRPPODSSWOALPH-KRWDZBQOSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735597215 598664682 /nfs/dbraw/zinc/66/46/82/598664682.db2.gz NRPPODSSWOALPH-KRWDZBQOSA-N -1 3 392.463 3.705 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737822938 598665643 /nfs/dbraw/zinc/66/56/43/598665643.db2.gz DFCKPEFMFNMFQC-KRWDZBQOSA-N -1 3 393.447 3.947 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737822938 598665645 /nfs/dbraw/zinc/66/56/45/598665645.db2.gz DFCKPEFMFNMFQC-KRWDZBQOSA-N -1 3 393.447 3.947 20 0 GHADHM Cc1ccccc1CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000737426501 598736866 /nfs/dbraw/zinc/73/68/66/598736866.db2.gz NATAUBONBLECRN-UHFFFAOYSA-N -1 3 377.492 3.793 20 0 GHADHM Cc1ccccc1CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000737426501 598736867 /nfs/dbraw/zinc/73/68/67/598736867.db2.gz NATAUBONBLECRN-UHFFFAOYSA-N -1 3 377.492 3.793 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000737507768 598745081 /nfs/dbraw/zinc/74/50/81/598745081.db2.gz ASJUQBZIWIAKTE-UHFFFAOYSA-N -1 3 377.427 3.545 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737420675 598759075 /nfs/dbraw/zinc/75/90/75/598759075.db2.gz IWDTXDIIXAJGQP-IBGZPJMESA-N -1 3 378.480 3.714 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737420675 598759077 /nfs/dbraw/zinc/75/90/77/598759077.db2.gz IWDTXDIIXAJGQP-IBGZPJMESA-N -1 3 378.480 3.714 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736176403 598759900 /nfs/dbraw/zinc/75/99/00/598759900.db2.gz SAMOCCFMCJLLAT-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736176403 598759902 /nfs/dbraw/zinc/75/99/02/598759902.db2.gz SAMOCCFMCJLLAT-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@@H](O)CN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736148603 598762813 /nfs/dbraw/zinc/76/28/13/598762813.db2.gz QHZVZCUSMKWQIG-QGZVFWFLSA-N -1 3 385.471 3.921 20 0 GHADHM C[C@@H](O)CN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736148603 598762815 /nfs/dbraw/zinc/76/28/15/598762815.db2.gz QHZVZCUSMKWQIG-QGZVFWFLSA-N -1 3 385.471 3.921 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@H]3CCc4c3cccc4F)c2c1 ZINC000737643841 598772374 /nfs/dbraw/zinc/77/23/74/598772374.db2.gz GOLHJXCQNJYEBT-INIZCTEOSA-N -1 3 382.349 3.932 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@H]3CCc4c3cccc4F)c2c1 ZINC000737643841 598772376 /nfs/dbraw/zinc/77/23/76/598772376.db2.gz GOLHJXCQNJYEBT-INIZCTEOSA-N -1 3 382.349 3.932 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736209582 598781013 /nfs/dbraw/zinc/78/10/13/598781013.db2.gz ANHAPVGTKPUDKF-CYBMUJFWSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736209582 598781014 /nfs/dbraw/zinc/78/10/14/598781014.db2.gz ANHAPVGTKPUDKF-CYBMUJFWSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736212354 598782107 /nfs/dbraw/zinc/78/21/07/598782107.db2.gz WRLGESNTDYDETP-CQSZACIVSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736212354 598782108 /nfs/dbraw/zinc/78/21/08/598782108.db2.gz WRLGESNTDYDETP-CQSZACIVSA-N -1 3 378.436 3.827 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)CCCc1ccccc1 ZINC000736819254 598790356 /nfs/dbraw/zinc/79/03/56/598790356.db2.gz BUYLWKRLNIGAOY-UHFFFAOYSA-N -1 3 377.492 3.874 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)CCCc1ccccc1 ZINC000736819254 598790357 /nfs/dbraw/zinc/79/03/57/598790357.db2.gz BUYLWKRLNIGAOY-UHFFFAOYSA-N -1 3 377.492 3.874 20 0 GHADHM COc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000737095937 598793066 /nfs/dbraw/zinc/79/30/66/598793066.db2.gz QXWNEPCWYCVVTB-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000737095937 598793067 /nfs/dbraw/zinc/79/30/67/598793067.db2.gz QXWNEPCWYCVVTB-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000736815414 598800700 /nfs/dbraw/zinc/80/07/00/598800700.db2.gz ZBKXMFOAELCGDW-LJQANCHMSA-N -1 3 394.454 3.689 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000736815414 598800701 /nfs/dbraw/zinc/80/07/01/598800701.db2.gz ZBKXMFOAELCGDW-LJQANCHMSA-N -1 3 394.454 3.689 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1(c2ccccc2)CC1 ZINC000823303784 599292828 /nfs/dbraw/zinc/29/28/28/599292828.db2.gz VITDGYYEYWBHCC-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1(c2ccccc2)CC1 ZINC000823303784 599292830 /nfs/dbraw/zinc/29/28/30/599292830.db2.gz VITDGYYEYWBHCC-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736183102 599307924 /nfs/dbraw/zinc/30/79/24/599307924.db2.gz QVZOKRUPEXPKHH-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736183102 599307927 /nfs/dbraw/zinc/30/79/27/599307927.db2.gz QVZOKRUPEXPKHH-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](SCC(=O)Nc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187805 599327399 /nfs/dbraw/zinc/32/73/99/599327399.db2.gz BZLCMNHIDXVBKI-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)Nc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187805 599327402 /nfs/dbraw/zinc/32/74/02/599327402.db2.gz BZLCMNHIDXVBKI-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000736188009 599328058 /nfs/dbraw/zinc/32/80/58/599328058.db2.gz GKLCIXKCTJIQOL-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000736188009 599328061 /nfs/dbraw/zinc/32/80/61/599328061.db2.gz GKLCIXKCTJIQOL-WDEREUQCSA-N -1 3 389.431 3.966 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737427900 599334172 /nfs/dbraw/zinc/33/41/72/599334172.db2.gz JKHQBISZIITQLZ-HUUCEWRRSA-N -1 3 381.505 3.674 20 0 GHADHM Cc1ccccc1CNC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737427900 599334174 /nfs/dbraw/zinc/33/41/74/599334174.db2.gz JKHQBISZIITQLZ-HUUCEWRRSA-N -1 3 381.505 3.674 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc21 ZINC000820031612 599343927 /nfs/dbraw/zinc/34/39/27/599343927.db2.gz GLTOWCOMYIQAOB-SFHVURJKSA-N -1 3 379.489 3.573 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc21 ZINC000820031612 599343928 /nfs/dbraw/zinc/34/39/28/599343928.db2.gz GLTOWCOMYIQAOB-SFHVURJKSA-N -1 3 379.489 3.573 20 0 GHADHM COc1ccc(C2=NC[C@@H](CSc3ccccc3-c3nnn[n-]3)S2)cc1 ZINC000821782298 599345496 /nfs/dbraw/zinc/34/54/96/599345496.db2.gz CTGYQVWEYIVHJU-AWEZNQCLSA-N -1 3 383.502 3.530 20 0 GHADHM COc1ccc(C2=NC[C@@H](CSc3ccccc3-c3nn[n-]n3)S2)cc1 ZINC000821782298 599345497 /nfs/dbraw/zinc/34/54/97/599345497.db2.gz CTGYQVWEYIVHJU-AWEZNQCLSA-N -1 3 383.502 3.530 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000820316949 599346301 /nfs/dbraw/zinc/34/63/01/599346301.db2.gz XWXMBVLRXPCSCR-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000820316949 599346304 /nfs/dbraw/zinc/34/63/04/599346304.db2.gz XWXMBVLRXPCSCR-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736124909 599368907 /nfs/dbraw/zinc/36/89/07/599368907.db2.gz IRXWFYFUGPDHEJ-VIFPVBQESA-N -1 3 376.848 3.707 20 0 GHADHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736124909 599368911 /nfs/dbraw/zinc/36/89/11/599368911.db2.gz IRXWFYFUGPDHEJ-VIFPVBQESA-N -1 3 376.848 3.707 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(C(=O)c2ccccc2)c1 ZINC000821737609 607371505 /nfs/dbraw/zinc/37/15/05/607371505.db2.gz YWCOFVHTBINEPZ-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(C(=O)c2ccccc2)c1 ZINC000821737609 607371507 /nfs/dbraw/zinc/37/15/07/607371507.db2.gz YWCOFVHTBINEPZ-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000821518460 599376628 /nfs/dbraw/zinc/37/66/28/599376628.db2.gz VFQQXCFZXGJDTA-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000821518460 599376631 /nfs/dbraw/zinc/37/66/31/599376631.db2.gz VFQQXCFZXGJDTA-GFCCVEGCSA-N -1 3 377.408 3.778 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc2nc(C3CC3)sc2c1 ZINC000821737055 607371818 /nfs/dbraw/zinc/37/18/18/607371818.db2.gz RCXVSUMMYTXVTE-UHFFFAOYSA-N -1 3 378.461 3.975 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc2nc(C3CC3)sc2c1 ZINC000821737055 607371820 /nfs/dbraw/zinc/37/18/20/607371820.db2.gz RCXVSUMMYTXVTE-UHFFFAOYSA-N -1 3 378.461 3.975 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819945825 599385683 /nfs/dbraw/zinc/38/56/83/599385683.db2.gz FSOLYWOBCLFKQM-UHFFFAOYSA-N -1 3 397.435 3.672 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821571951 599388679 /nfs/dbraw/zinc/38/86/79/599388679.db2.gz MEVRNLHSBXFPHP-UHFFFAOYSA-N -1 3 381.436 3.817 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821571951 599388681 /nfs/dbraw/zinc/38/86/81/599388681.db2.gz MEVRNLHSBXFPHP-UHFFFAOYSA-N -1 3 381.436 3.817 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737852850 599389876 /nfs/dbraw/zinc/38/98/76/599389876.db2.gz HKSJBPHFYMYMCP-UHFFFAOYSA-N -1 3 379.468 3.599 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000737852850 599389878 /nfs/dbraw/zinc/38/98/78/599389878.db2.gz HKSJBPHFYMYMCP-UHFFFAOYSA-N -1 3 379.468 3.599 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000820348882 599405649 /nfs/dbraw/zinc/40/56/49/599405649.db2.gz GSBFDESOYXHYMV-NXEZZACHSA-N -1 3 376.873 3.703 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000820348882 599405651 /nfs/dbraw/zinc/40/56/51/599405651.db2.gz GSBFDESOYXHYMV-NXEZZACHSA-N -1 3 376.873 3.703 20 0 GHADHM c1ccc(C2(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)CCOCC2)cc1 ZINC000738429351 599408880 /nfs/dbraw/zinc/40/88/80/599408880.db2.gz YDFQCSLWLWQFDZ-UHFFFAOYSA-N -1 3 386.459 3.575 20 0 GHADHM c1ccc(C2(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)CCOCC2)cc1 ZINC000738429351 599408883 /nfs/dbraw/zinc/40/88/83/599408883.db2.gz YDFQCSLWLWQFDZ-UHFFFAOYSA-N -1 3 386.459 3.575 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357962 599411229 /nfs/dbraw/zinc/41/12/29/599411229.db2.gz KZUZPSBMZSWZLX-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357962 599411231 /nfs/dbraw/zinc/41/12/31/599411231.db2.gz KZUZPSBMZSWZLX-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820920758 599417632 /nfs/dbraw/zinc/41/76/32/599417632.db2.gz SKPPXWREPLUHSL-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820920758 599417634 /nfs/dbraw/zinc/41/76/34/599417634.db2.gz SKPPXWREPLUHSL-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357891 599429969 /nfs/dbraw/zinc/42/99/69/599429969.db2.gz KDGUAWVSWJTJRQ-KUHUBIRLSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357891 599429973 /nfs/dbraw/zinc/42/99/73/599429973.db2.gz KDGUAWVSWJTJRQ-KUHUBIRLSA-N -1 3 376.464 3.695 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821022257 599446039 /nfs/dbraw/zinc/44/60/39/599446039.db2.gz QRSXSWJQQJXMOD-GOSISDBHSA-N -1 3 396.470 3.607 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821022257 599446041 /nfs/dbraw/zinc/44/60/41/599446041.db2.gz QRSXSWJQQJXMOD-GOSISDBHSA-N -1 3 396.470 3.607 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2ccccc2c1 ZINC000820365453 599462851 /nfs/dbraw/zinc/46/28/51/599462851.db2.gz JQDAXWPWLRTJKT-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2ccccc2c1 ZINC000820365453 599462854 /nfs/dbraw/zinc/46/28/54/599462854.db2.gz JQDAXWPWLRTJKT-ZDUSSCGKSA-N -1 3 390.422 3.719 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000735905570 599464893 /nfs/dbraw/zinc/46/48/93/599464893.db2.gz KZBBTTPNCZNTEA-UHFFFAOYSA-N -1 3 391.884 3.940 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000735905570 599464894 /nfs/dbraw/zinc/46/48/94/599464894.db2.gz KZBBTTPNCZNTEA-UHFFFAOYSA-N -1 3 391.884 3.940 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231653 599468467 /nfs/dbraw/zinc/46/84/67/599468467.db2.gz BWYIYUPXKJYGRD-CJNGLKHVSA-N -1 3 397.479 3.503 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231653 599468470 /nfs/dbraw/zinc/46/84/70/599468470.db2.gz BWYIYUPXKJYGRD-CJNGLKHVSA-N -1 3 397.479 3.503 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000820137604 599473274 /nfs/dbraw/zinc/47/32/74/599473274.db2.gz LOUYADXLIUDARN-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000820137604 599473277 /nfs/dbraw/zinc/47/32/77/599473277.db2.gz LOUYADXLIUDARN-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM CCO[C@H](C)c1nc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cs1 ZINC000736617192 599475168 /nfs/dbraw/zinc/47/51/68/599475168.db2.gz QKDZPSWWYOAVKL-CYBMUJFWSA-N -1 3 384.509 3.585 20 0 GHADHM CCO[C@H](C)c1nc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC000736617192 599475171 /nfs/dbraw/zinc/47/51/71/599475171.db2.gz QKDZPSWWYOAVKL-CYBMUJFWSA-N -1 3 384.509 3.585 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820668605 599476691 /nfs/dbraw/zinc/47/66/91/599476691.db2.gz VFTIRBBNEWEMFB-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820668605 599476693 /nfs/dbraw/zinc/47/66/93/599476693.db2.gz VFTIRBBNEWEMFB-LPMFXHHGSA-N -1 3 394.454 3.860 20 0 GHADHM CCO[C@H](C)c1nc(CSCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736619743 599480662 /nfs/dbraw/zinc/48/06/62/599480662.db2.gz ZKKUKCCGJNODHO-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM CCO[C@H](C)c1nc(CSCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736619743 599480665 /nfs/dbraw/zinc/48/06/65/599480665.db2.gz ZKKUKCCGJNODHO-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234843 599482152 /nfs/dbraw/zinc/48/21/52/599482152.db2.gz JHRGOOGSSKEGHY-HZPDHXFCSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234843 599482154 /nfs/dbraw/zinc/48/21/54/599482154.db2.gz JHRGOOGSSKEGHY-HZPDHXFCSA-N -1 3 378.480 3.509 20 0 GHADHM Fc1ccc(NCC2(c3cccc(Cl)c3)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000822778503 599491494 /nfs/dbraw/zinc/49/14/94/599491494.db2.gz JQDDSBJVXRWDMP-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM Fc1ccc(NCC2(c3cccc(Cl)c3)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000822778503 599491497 /nfs/dbraw/zinc/49/14/97/599491497.db2.gz JQDDSBJVXRWDMP-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738151951 599500324 /nfs/dbraw/zinc/50/03/24/599500324.db2.gz LYDBVSNYKUTTQX-KRWDZBQOSA-N -1 3 382.855 3.663 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738151951 599500326 /nfs/dbraw/zinc/50/03/26/599500326.db2.gz LYDBVSNYKUTTQX-KRWDZBQOSA-N -1 3 382.855 3.663 20 0 GHADHM CSCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182308 599502732 /nfs/dbraw/zinc/50/27/32/599502732.db2.gz OBCQYKRLAICYRS-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM CSCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182308 599502735 /nfs/dbraw/zinc/50/27/35/599502735.db2.gz OBCQYKRLAICYRS-UHFFFAOYSA-N -1 3 398.492 3.924 20 0 GHADHM C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396240 599504360 /nfs/dbraw/zinc/50/43/60/599504360.db2.gz DIRCDTFRIWFPOQ-JTQLQIEISA-N -1 3 393.394 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396240 599504363 /nfs/dbraw/zinc/50/43/63/599504363.db2.gz DIRCDTFRIWFPOQ-JTQLQIEISA-N -1 3 393.394 3.970 20 0 GHADHM Cc1ccc(SCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822266504 599508202 /nfs/dbraw/zinc/50/82/02/599508202.db2.gz BOVVAJUJIWSDNJ-HNNXBMFYSA-N -1 3 381.505 3.843 20 0 GHADHM Cc1ccc(SCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822266504 599508205 /nfs/dbraw/zinc/50/82/05/599508205.db2.gz BOVVAJUJIWSDNJ-HNNXBMFYSA-N -1 3 381.505 3.843 20 0 GHADHM Cc1csc([C@H]2CCCN(c3c(-c4nnn[n-]4)cnc4c(C)cccc43)C2)n1 ZINC000822409364 599508863 /nfs/dbraw/zinc/50/88/63/599508863.db2.gz RFACENUYSKGJQO-AWEZNQCLSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1csc([C@H]2CCCN(c3c(-c4nn[n-]n4)cnc4c(C)cccc43)C2)n1 ZINC000822409364 599508866 /nfs/dbraw/zinc/50/88/66/599508866.db2.gz RFACENUYSKGJQO-AWEZNQCLSA-N -1 3 391.504 3.872 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(OC)c1 ZINC000737090157 599522375 /nfs/dbraw/zinc/52/23/75/599522375.db2.gz IUKOLTJDRBSGHU-UHFFFAOYSA-N -1 3 393.369 3.557 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H](c2ccccc2)O1 ZINC000736289361 599522430 /nfs/dbraw/zinc/52/24/30/599522430.db2.gz LCXONAYIQKOISW-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821853787 599524230 /nfs/dbraw/zinc/52/42/30/599524230.db2.gz AAYVIPMGSCDVKA-USYSOWRXSA-N -1 3 399.454 3.919 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821853787 599524233 /nfs/dbraw/zinc/52/42/33/599524233.db2.gz AAYVIPMGSCDVKA-USYSOWRXSA-N -1 3 399.454 3.919 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820533956 599532232 /nfs/dbraw/zinc/53/22/32/599532232.db2.gz IFWMHSDMJOLIDX-CABCVRRESA-N -1 3 379.464 3.635 20 0 GHADHM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820533956 599532234 /nfs/dbraw/zinc/53/22/34/599532234.db2.gz IFWMHSDMJOLIDX-CABCVRRESA-N -1 3 379.464 3.635 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)nc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820390833 599534099 /nfs/dbraw/zinc/53/40/99/599534099.db2.gz LNZJQYNLXXIREF-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)nc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820390833 599534103 /nfs/dbraw/zinc/53/41/03/599534103.db2.gz LNZJQYNLXXIREF-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736059950 599538892 /nfs/dbraw/zinc/53/88/92/599538892.db2.gz YEAIMBADLAGJDY-LLVKDONJSA-N -1 3 385.468 3.763 20 0 GHADHM C[C@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736059950 599538895 /nfs/dbraw/zinc/53/88/95/599538895.db2.gz YEAIMBADLAGJDY-LLVKDONJSA-N -1 3 385.468 3.763 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CCC(C)(C)C ZINC000736628549 599539388 /nfs/dbraw/zinc/53/93/88/599539388.db2.gz OUMXDIBIWIZEAX-UHFFFAOYSA-N -1 3 397.273 3.760 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CCC(C)(C)C ZINC000736628549 599539390 /nfs/dbraw/zinc/53/93/90/599539390.db2.gz OUMXDIBIWIZEAX-UHFFFAOYSA-N -1 3 397.273 3.760 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736055924 599539561 /nfs/dbraw/zinc/53/95/61/599539561.db2.gz JOPKMWRNVKYDPA-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736055924 599539562 /nfs/dbraw/zinc/53/95/62/599539562.db2.gz JOPKMWRNVKYDPA-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404527 599542765 /nfs/dbraw/zinc/54/27/65/599542765.db2.gz XDQORCHLIIFUEF-JTQLQIEISA-N -1 3 382.474 3.543 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404527 599542768 /nfs/dbraw/zinc/54/27/68/599542768.db2.gz XDQORCHLIIFUEF-JTQLQIEISA-N -1 3 382.474 3.543 20 0 GHADHM CC[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1nccs1 ZINC000736364953 599551573 /nfs/dbraw/zinc/55/15/73/599551573.db2.gz UWPBHWAAKMACAQ-QGZVFWFLSA-N -1 3 390.472 3.871 20 0 GHADHM CC[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1nccs1 ZINC000736364953 599551576 /nfs/dbraw/zinc/55/15/76/599551576.db2.gz UWPBHWAAKMACAQ-QGZVFWFLSA-N -1 3 390.472 3.871 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000819965647 599556678 /nfs/dbraw/zinc/55/66/78/599556678.db2.gz LKWZUTWZIXXICR-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000819965647 599556679 /nfs/dbraw/zinc/55/66/79/599556679.db2.gz LKWZUTWZIXXICR-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737327752 599558716 /nfs/dbraw/zinc/55/87/16/599558716.db2.gz AFLGGOJFSZDMBQ-IERDGZPVSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737327752 599558719 /nfs/dbraw/zinc/55/87/19/599558719.db2.gz AFLGGOJFSZDMBQ-IERDGZPVSA-N -1 3 391.475 3.554 20 0 GHADHM CN(C)c1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000736779938 599562829 /nfs/dbraw/zinc/56/28/29/599562829.db2.gz NLVHPLAGXQLJTO-UHFFFAOYSA-N -1 3 399.458 3.929 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737343321 599565264 /nfs/dbraw/zinc/56/52/64/599565264.db2.gz UXJULAKIRYHZEQ-UHFFFAOYSA-N -1 3 390.472 3.910 20 0 GHADHM O=C(NCc1ccsc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738125139 599566703 /nfs/dbraw/zinc/56/67/03/599566703.db2.gz VSVAOWFDKOHAED-UHFFFAOYSA-N -1 3 376.445 3.602 20 0 GHADHM C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736205161 599567412 /nfs/dbraw/zinc/56/74/12/599567412.db2.gz YLCXKEFMUVDQFV-HNNXBMFYSA-N -1 3 399.458 3.839 20 0 GHADHM C[C@@H]1SCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736302061 599568819 /nfs/dbraw/zinc/56/88/19/599568819.db2.gz PSKLECOJFMZNKL-KBPBESRZSA-N -1 3 394.504 3.576 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000738285353 599575100 /nfs/dbraw/zinc/57/51/00/599575100.db2.gz FSANGBONOTVSLF-SJLPKXTDSA-N -1 3 391.500 3.784 20 0 GHADHM O=C(c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000738285353 599575104 /nfs/dbraw/zinc/57/51/04/599575104.db2.gz FSANGBONOTVSLF-SJLPKXTDSA-N -1 3 391.500 3.784 20 0 GHADHM c1coc([C@H]2CCCCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823816702 599578458 /nfs/dbraw/zinc/57/84/58/599578458.db2.gz WJODITCVPXSXMS-MRXNPFEDSA-N -1 3 391.435 3.627 20 0 GHADHM c1coc([C@H]2CCCCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000823816702 599578460 /nfs/dbraw/zinc/57/84/60/599578460.db2.gz WJODITCVPXSXMS-MRXNPFEDSA-N -1 3 391.435 3.627 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113433 599600367 /nfs/dbraw/zinc/60/03/67/599600367.db2.gz NTLUTMOWOSIQMQ-CWFSZBLJSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113433 599600369 /nfs/dbraw/zinc/60/03/69/599600369.db2.gz NTLUTMOWOSIQMQ-CWFSZBLJSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113435 599600664 /nfs/dbraw/zinc/60/06/64/599600664.db2.gz NTLUTMOWOSIQMQ-YSSFQJQWSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113435 599600666 /nfs/dbraw/zinc/60/06/66/599600666.db2.gz NTLUTMOWOSIQMQ-YSSFQJQWSA-N -1 3 390.491 3.638 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736364027 599600912 /nfs/dbraw/zinc/60/09/12/599600912.db2.gz PXVILMBPPHFVIU-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736364027 599600913 /nfs/dbraw/zinc/60/09/13/599600913.db2.gz PXVILMBPPHFVIU-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422786 599601569 /nfs/dbraw/zinc/60/15/69/599601569.db2.gz RTKBKNOTSBUEAC-JTDSTZFVSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422786 599601570 /nfs/dbraw/zinc/60/15/70/599601570.db2.gz RTKBKNOTSBUEAC-JTDSTZFVSA-N -1 3 390.491 3.824 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000736481136 599602219 /nfs/dbraw/zinc/60/22/19/599602219.db2.gz UGMOHUYHCZKZIY-AWEZNQCLSA-N -1 3 398.536 3.789 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000736481136 599602220 /nfs/dbraw/zinc/60/22/20/599602220.db2.gz UGMOHUYHCZKZIY-AWEZNQCLSA-N -1 3 398.536 3.789 20 0 GHADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000819884794 599622817 /nfs/dbraw/zinc/62/28/17/599622817.db2.gz ZZXYMTNXHKFTSQ-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000819884794 599622818 /nfs/dbraw/zinc/62/28/18/599622818.db2.gz ZZXYMTNXHKFTSQ-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000820512522 599627891 /nfs/dbraw/zinc/62/78/91/599627891.db2.gz LUKGENBODMLNEC-LLVKDONJSA-N -1 3 392.337 3.553 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000819965382 599629453 /nfs/dbraw/zinc/62/94/53/599629453.db2.gz DTGRRSFCXJGUIU-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000819965382 599629454 /nfs/dbraw/zinc/62/94/54/599629454.db2.gz DTGRRSFCXJGUIU-ALCCZGGFSA-N -1 3 388.884 3.926 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2cnc(C(C)(C)C)s2)s1 ZINC000821465743 599630579 /nfs/dbraw/zinc/63/05/79/599630579.db2.gz NQPFFVGTSLZMDO-SREVYHEPSA-N -1 3 388.522 3.897 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2cnc(C(C)(C)C)s2)s1 ZINC000821465743 599630580 /nfs/dbraw/zinc/63/05/80/599630580.db2.gz NQPFFVGTSLZMDO-SREVYHEPSA-N -1 3 388.522 3.897 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@@H]1CCCS1 ZINC000823383374 599630670 /nfs/dbraw/zinc/63/06/70/599630670.db2.gz QIGPUGIKJGPARH-ZDUSSCGKSA-N -1 3 383.502 3.528 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@@H]1CCCS1 ZINC000823383374 599630671 /nfs/dbraw/zinc/63/06/71/599630671.db2.gz QIGPUGIKJGPARH-ZDUSSCGKSA-N -1 3 383.502 3.528 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821777944 599632919 /nfs/dbraw/zinc/63/29/19/599632919.db2.gz PHSQSUBMYNIFTJ-SNVBAGLBSA-N -1 3 391.353 3.636 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821777944 599632920 /nfs/dbraw/zinc/63/29/20/599632920.db2.gz PHSQSUBMYNIFTJ-SNVBAGLBSA-N -1 3 391.353 3.636 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(c2ccc(F)cc2)CC1 ZINC000823303277 599633976 /nfs/dbraw/zinc/63/39/76/599633976.db2.gz FOHNAKPUTOJPCY-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(c2ccc(F)cc2)CC1 ZINC000823303277 599633977 /nfs/dbraw/zinc/63/39/77/599633977.db2.gz FOHNAKPUTOJPCY-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356927 599674527 /nfs/dbraw/zinc/67/45/27/599674527.db2.gz CNMZAXRWHCRPGP-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356927 599674528 /nfs/dbraw/zinc/67/45/28/599674528.db2.gz CNMZAXRWHCRPGP-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000820117105 599677814 /nfs/dbraw/zinc/67/78/14/599677814.db2.gz VFFZLIWPXMMRIS-QXAKKESOSA-N -1 3 382.512 3.756 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000820117105 599677815 /nfs/dbraw/zinc/67/78/15/599677815.db2.gz VFFZLIWPXMMRIS-QXAKKESOSA-N -1 3 382.512 3.756 20 0 GHADHM COc1ccc2cc([C@H](C)OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000821854397 599684687 /nfs/dbraw/zinc/68/46/87/599684687.db2.gz IXBXZMSEGCDESF-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cc([C@H](C)OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000821854397 599684688 /nfs/dbraw/zinc/68/46/88/599684688.db2.gz IXBXZMSEGCDESF-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275905 599684951 /nfs/dbraw/zinc/68/49/51/599684951.db2.gz ZTJNPKIYGSQPNU-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275905 599684952 /nfs/dbraw/zinc/68/49/52/599684952.db2.gz ZTJNPKIYGSQPNU-CQSZACIVSA-N -1 3 375.432 3.893 20 0 GHADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000820925538 599688513 /nfs/dbraw/zinc/68/85/13/599688513.db2.gz JLJUSJNRVHUBCJ-QMMMGPOBSA-N -1 3 389.794 3.954 20 0 GHADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000820925538 599688514 /nfs/dbraw/zinc/68/85/14/599688514.db2.gz JLJUSJNRVHUBCJ-QMMMGPOBSA-N -1 3 389.794 3.954 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc2cnccc21 ZINC000821389395 599689880 /nfs/dbraw/zinc/68/98/80/599689880.db2.gz LQPHWHDTAHFKRF-UHFFFAOYSA-N -1 3 395.806 3.686 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc2cnccc21 ZINC000821389395 599689881 /nfs/dbraw/zinc/68/98/81/599689881.db2.gz LQPHWHDTAHFKRF-UHFFFAOYSA-N -1 3 395.806 3.686 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000822428095 599697985 /nfs/dbraw/zinc/69/79/85/599697985.db2.gz ZIMWMXMIMCEKPU-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000822428095 599697986 /nfs/dbraw/zinc/69/79/86/599697986.db2.gz ZIMWMXMIMCEKPU-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000738624062 599772158 /nfs/dbraw/zinc/77/21/58/599772158.db2.gz CITQCIFUMWOJKN-CVEARBPZSA-N -1 3 385.464 3.881 20 0 GHADHM CC(C)OCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000820146383 607396024 /nfs/dbraw/zinc/39/60/24/607396024.db2.gz MXDVZZKUQCTNGG-UHFFFAOYSA-N -1 3 395.463 3.831 20 0 GHADHM CC(C)OCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000820146383 607396026 /nfs/dbraw/zinc/39/60/26/607396026.db2.gz MXDVZZKUQCTNGG-UHFFFAOYSA-N -1 3 395.463 3.831 20 0 GHADHM Cc1cccc2c(CC(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822332313 607397878 /nfs/dbraw/zinc/39/78/78/607397878.db2.gz ODVDIXFWBTVLCH-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1cccc2c(CC(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822332313 607397880 /nfs/dbraw/zinc/39/78/80/607397880.db2.gz ODVDIXFWBTVLCH-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)N(C)C)cc1 ZINC000737258527 599828676 /nfs/dbraw/zinc/82/86/76/599828676.db2.gz GZKMCSOBGGLCOX-HXUWFJFHSA-N -1 3 383.492 3.691 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820174311 607399291 /nfs/dbraw/zinc/39/92/91/607399291.db2.gz RIUYFKINKAYUGS-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820174311 607399293 /nfs/dbraw/zinc/39/92/93/607399293.db2.gz RIUYFKINKAYUGS-UHFFFAOYSA-N -1 3 391.353 3.925 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(OC2CCCC2)cc1 ZINC000826428118 607415314 /nfs/dbraw/zinc/41/53/14/607415314.db2.gz PFIGDPFXVZDUHX-UHFFFAOYSA-N -1 3 389.459 3.607 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(OC2CCCC2)cc1 ZINC000826428118 607415315 /nfs/dbraw/zinc/41/53/15/607415315.db2.gz PFIGDPFXVZDUHX-UHFFFAOYSA-N -1 3 389.459 3.607 20 0 GHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000736716711 600076886 /nfs/dbraw/zinc/07/68/86/600076886.db2.gz JNPBGWSKYAPVJY-KBPBESRZSA-N -1 3 389.427 3.712 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1sccc1-c1nnn[n-]1 ZINC000826423683 607783367 /nfs/dbraw/zinc/78/33/67/607783367.db2.gz AZNAFUCCTOQEFH-UHFFFAOYSA-N -1 3 375.866 3.978 20 0 GHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1sccc1-c1nn[n-]n1 ZINC000826423683 607783368 /nfs/dbraw/zinc/78/33/68/607783368.db2.gz AZNAFUCCTOQEFH-UHFFFAOYSA-N -1 3 375.866 3.978 20 0 GHADHM O=C([O-])c1cccc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000263500239 600146107 /nfs/dbraw/zinc/14/61/07/600146107.db2.gz VFJJIMWRMWDBJT-IBGZPJMESA-N -1 3 384.863 3.986 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OCc3cccnc3)cc2)C(=O)[O-])cc1 ZINC000737970844 600313529 /nfs/dbraw/zinc/31/35/29/600313529.db2.gz QAYWNPKEHZTMPI-OAQYLSRUSA-N -1 3 378.428 3.585 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccsc1 ZINC000737086437 600382290 /nfs/dbraw/zinc/38/22/90/600382290.db2.gz XURTXJATNTZVOQ-INIZCTEOSA-N -1 3 379.457 3.790 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812628 607441483 /nfs/dbraw/zinc/44/14/83/607441483.db2.gz OZPBIBBPZXCXKH-HOTGVXAUSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812628 607441485 /nfs/dbraw/zinc/44/14/85/607441485.db2.gz OZPBIBBPZXCXKH-HOTGVXAUSA-N -1 3 388.258 3.940 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)ccc1Br ZINC000826249923 607443945 /nfs/dbraw/zinc/44/39/45/607443945.db2.gz BLERAXPMTXWALQ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)ccc1Br ZINC000826249923 607443947 /nfs/dbraw/zinc/44/39/47/607443947.db2.gz BLERAXPMTXWALQ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000739417396 600517299 /nfs/dbraw/zinc/51/72/99/600517299.db2.gz YKJVELQNVXAZLA-UHFFFAOYSA-N -1 3 387.867 3.608 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737229850 600523183 /nfs/dbraw/zinc/52/31/83/600523183.db2.gz RGVHRYAVGZBQML-HUUCEWRRSA-N -1 3 386.517 3.852 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccccc2NC(=O)[O-])c2ccccc2)CC1 ZINC000736798481 600573334 /nfs/dbraw/zinc/57/33/34/600573334.db2.gz WMKYQKKKQXDXNN-FQEVSTJZSA-N -1 3 381.476 3.980 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823032044 607455213 /nfs/dbraw/zinc/45/52/13/607455213.db2.gz LRVHYDVSSZTICX-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823032044 607455215 /nfs/dbraw/zinc/45/52/15/607455215.db2.gz LRVHYDVSSZTICX-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000821110313 607461309 /nfs/dbraw/zinc/46/13/09/607461309.db2.gz ZPDSGCYJRXSCII-QGZVFWFLSA-N -1 3 386.818 3.636 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000821110313 607461310 /nfs/dbraw/zinc/46/13/10/607461310.db2.gz ZPDSGCYJRXSCII-QGZVFWFLSA-N -1 3 386.818 3.636 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C(=O)[O-])c3cccc(Cl)c3)ccc2NC1=O ZINC000829170376 600694968 /nfs/dbraw/zinc/69/49/68/600694968.db2.gz PGELXRQJPXCKOU-VOZBZGINSA-N -1 3 388.851 3.926 20 0 GHADHM O=C([O-])[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1F ZINC000833168569 600751055 /nfs/dbraw/zinc/75/10/55/600751055.db2.gz YNJYUXWKFDGAFK-SJCJKPOMSA-N -1 3 398.356 3.719 20 0 GHADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1F ZINC000833168568 600751137 /nfs/dbraw/zinc/75/11/37/600751137.db2.gz YNJYUXWKFDGAFK-PXAZEXFGSA-N -1 3 398.356 3.719 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000822743867 607489340 /nfs/dbraw/zinc/48/93/40/607489340.db2.gz HGHSBWWUBNBMQQ-UHFFFAOYSA-N -1 3 389.438 3.818 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000822743867 607489342 /nfs/dbraw/zinc/48/93/42/607489342.db2.gz HGHSBWWUBNBMQQ-UHFFFAOYSA-N -1 3 389.438 3.818 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828087563 601329630 /nfs/dbraw/zinc/32/96/30/601329630.db2.gz BRIDYEYLXZBENB-QHCPKHFHSA-N -1 3 395.503 3.738 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2nc(C)ccc2c1 ZINC000825331840 607510360 /nfs/dbraw/zinc/51/03/60/607510360.db2.gz AATJAUQRSCHOPV-UHFFFAOYSA-N -1 3 387.447 3.798 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000826055421 601651359 /nfs/dbraw/zinc/65/13/59/601651359.db2.gz ZZZIIZDFCFKMOX-UTKZUKDTSA-N -1 3 380.488 3.864 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740253582 602001177 /nfs/dbraw/zinc/00/11/77/602001177.db2.gz SROVRXXBHGSBAU-HNNXBMFYSA-N -1 3 394.878 3.512 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826284372 607541935 /nfs/dbraw/zinc/54/19/35/607541935.db2.gz RUMYZVJEHJUXQV-IBGZPJMESA-N -1 3 377.427 3.673 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc(N3CCCC3)c2)C(=O)[O-])c1 ZINC000832051983 602176447 /nfs/dbraw/zinc/17/64/47/602176447.db2.gz YMGSCGRTRRHFOW-BTYIYWSLSA-N -1 3 384.476 3.781 20 0 GHADHM CCC(C)(C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825039351 607548520 /nfs/dbraw/zinc/54/85/20/607548520.db2.gz PZQZOUYWZRSRNX-GOSISDBHSA-N -1 3 385.512 3.843 20 0 GHADHM CCC(C)(C)[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825039351 607548522 /nfs/dbraw/zinc/54/85/22/607548522.db2.gz PZQZOUYWZRSRNX-GOSISDBHSA-N -1 3 385.512 3.843 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cc(C)ccc1C ZINC000826283869 607553693 /nfs/dbraw/zinc/55/36/93/607553693.db2.gz CYWBERJXRHIWKY-UHFFFAOYSA-N -1 3 388.435 3.622 20 0 GHADHM Cc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cc(C)ccc1C ZINC000826283869 607553694 /nfs/dbraw/zinc/55/36/94/607553694.db2.gz CYWBERJXRHIWKY-UHFFFAOYSA-N -1 3 388.435 3.622 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)c(F)cc1F ZINC000826452336 607588502 /nfs/dbraw/zinc/58/85/02/607588502.db2.gz PVPNJANUDPRGPA-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)c(F)cc1F ZINC000826452336 607588503 /nfs/dbraw/zinc/58/85/03/607588503.db2.gz PVPNJANUDPRGPA-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM CCN(Cc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)OC(C)(C)C ZINC000825443462 607645970 /nfs/dbraw/zinc/64/59/70/607645970.db2.gz CDCDBHAQHUGLCE-UHFFFAOYSA-N -1 3 386.481 3.747 20 0 GHADHM CCN(Cc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)OC(C)(C)C ZINC000825443462 607645971 /nfs/dbraw/zinc/64/59/71/607645971.db2.gz CDCDBHAQHUGLCE-UHFFFAOYSA-N -1 3 386.481 3.747 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)c3ccc(-c4nnn[n-]4)cc3C)ccc2c1 ZINC000826212787 607649465 /nfs/dbraw/zinc/64/94/65/607649465.db2.gz BGFOYCXFURBOJK-UHFFFAOYSA-N -1 3 387.443 3.609 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)c3ccc(-c4nn[n-]n4)cc3C)ccc2c1 ZINC000826212787 607649467 /nfs/dbraw/zinc/64/94/67/607649467.db2.gz BGFOYCXFURBOJK-UHFFFAOYSA-N -1 3 387.443 3.609 20 0 GHADHM CCCCSc1nnc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825296391 607655822 /nfs/dbraw/zinc/65/58/22/607655822.db2.gz GZUHGTFYNAGZRF-UHFFFAOYSA-N -1 3 392.535 3.585 20 0 GHADHM CCCCSc1nnc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825296391 607655824 /nfs/dbraw/zinc/65/58/24/607655824.db2.gz GZUHGTFYNAGZRF-UHFFFAOYSA-N -1 3 392.535 3.585 20 0 GHADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1OC1CCCC1 ZINC000826209491 607659769 /nfs/dbraw/zinc/65/97/69/607659769.db2.gz DWRHGFFHDLPSJU-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1OC1CCCC1 ZINC000826209491 607659771 /nfs/dbraw/zinc/65/97/71/607659771.db2.gz DWRHGFFHDLPSJU-UHFFFAOYSA-N -1 3 393.447 3.757 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826316202 607660532 /nfs/dbraw/zinc/66/05/32/607660532.db2.gz HEMAMOPUNAWVBH-DLBZAZTESA-N -1 3 379.489 3.531 20 0 GHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826316202 607660534 /nfs/dbraw/zinc/66/05/34/607660534.db2.gz HEMAMOPUNAWVBH-DLBZAZTESA-N -1 3 379.489 3.531 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824515941 607702637 /nfs/dbraw/zinc/70/26/37/607702637.db2.gz URTGKBPOQSCMIG-GFCCVEGCSA-N -1 3 392.394 3.617 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824515941 607702638 /nfs/dbraw/zinc/70/26/38/607702638.db2.gz URTGKBPOQSCMIG-GFCCVEGCSA-N -1 3 392.394 3.617 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000826250387 607703278 /nfs/dbraw/zinc/70/32/78/607703278.db2.gz YMGLSETUIZKGPM-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000826250387 607703280 /nfs/dbraw/zinc/70/32/80/607703280.db2.gz YMGLSETUIZKGPM-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1cccnc1)CC2 ZINC000833771713 604651211 /nfs/dbraw/zinc/65/12/11/604651211.db2.gz NSIQBWZVBCUSGJ-HXUWFJFHSA-N -1 3 388.471 3.621 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccs1 ZINC000833422511 604948887 /nfs/dbraw/zinc/94/88/87/604948887.db2.gz FHDAQAAZMSCMOL-PBHICJAKSA-N -1 3 380.554 3.774 20 0 GHADHM CC(C)N(CCN(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000833498786 605097291 /nfs/dbraw/zinc/09/72/91/605097291.db2.gz WTVRFWWPBUSCQL-UHFFFAOYSA-N -1 3 399.491 3.768 20 0 GHADHM CC(C)OC1CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000824309456 607734758 /nfs/dbraw/zinc/73/47/58/607734758.db2.gz PJZLRMCVMOOSFL-UHFFFAOYSA-N -1 3 388.422 3.841 20 0 GHADHM CC(C)OC1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000824309456 607734759 /nfs/dbraw/zinc/73/47/59/607734759.db2.gz PJZLRMCVMOOSFL-UHFFFAOYSA-N -1 3 388.422 3.841 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC1(C)C ZINC000826268997 607734930 /nfs/dbraw/zinc/73/49/30/607734930.db2.gz XATTVQWIXFXCKJ-KRWDZBQOSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC1(C)C ZINC000826268997 607734931 /nfs/dbraw/zinc/73/49/31/607734931.db2.gz XATTVQWIXFXCKJ-KRWDZBQOSA-N -1 3 379.439 3.894 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000833414043 605177591 /nfs/dbraw/zinc/17/75/91/605177591.db2.gz PRDXKKVTBSQYDD-NHCUHLMSSA-N -1 3 380.488 3.696 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(C4CCOCC4)CC3)c2c1 ZINC000826263714 607739038 /nfs/dbraw/zinc/73/90/38/607739038.db2.gz NCEAYIJZRKDFLJ-UHFFFAOYSA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(C4CCOCC4)CC3)c2c1 ZINC000826263714 607739039 /nfs/dbraw/zinc/73/90/39/607739039.db2.gz NCEAYIJZRKDFLJ-UHFFFAOYSA-N -1 3 392.507 3.675 20 0 GHADHM COc1ccccc1N1CCC(N[C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833736785 605359550 /nfs/dbraw/zinc/35/95/50/605359550.db2.gz YEWSHHZJKAFGGL-IBGZPJMESA-N -1 3 392.858 3.872 20 0 GHADHM CCN(C[C@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1)CC(F)(F)F ZINC000833654182 605377047 /nfs/dbraw/zinc/37/70/47/605377047.db2.gz FSAACQDBQXPVQC-IAQYHMDHSA-N -1 3 396.812 3.811 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824915725 607757361 /nfs/dbraw/zinc/75/73/61/607757361.db2.gz HTPJZQKLQSNGHU-PJIJBLCYSA-N -1 3 376.464 3.866 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824915725 607757362 /nfs/dbraw/zinc/75/73/62/607757362.db2.gz HTPJZQKLQSNGHU-PJIJBLCYSA-N -1 3 376.464 3.866 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2C2CC2)cc1-c1nnn[n-]1 ZINC000825545814 607761607 /nfs/dbraw/zinc/76/16/07/607761607.db2.gz XPEQAGYCZQTAFX-UHFFFAOYSA-N -1 3 398.448 3.626 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2C2CC2)cc1-c1nn[n-]n1 ZINC000825545814 607761608 /nfs/dbraw/zinc/76/16/08/607761608.db2.gz XPEQAGYCZQTAFX-UHFFFAOYSA-N -1 3 398.448 3.626 20 0 GHADHM COCCC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCCC1 ZINC000826155109 607769786 /nfs/dbraw/zinc/76/97/86/607769786.db2.gz GSJICRTXNUNGIS-UHFFFAOYSA-N -1 3 398.492 3.526 20 0 GHADHM COCCC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCCC1 ZINC000826155109 607769787 /nfs/dbraw/zinc/76/97/87/607769787.db2.gz GSJICRTXNUNGIS-UHFFFAOYSA-N -1 3 398.492 3.526 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826268513 607771353 /nfs/dbraw/zinc/77/13/53/607771353.db2.gz AQBPKBBZWOQNTR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(F)ccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826268513 607771354 /nfs/dbraw/zinc/77/13/54/607771354.db2.gz AQBPKBBZWOQNTR-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(C2CC2)sc1=S ZINC000820121714 606033281 /nfs/dbraw/zinc/03/32/81/606033281.db2.gz VOKLKWNEZNCVTR-UHFFFAOYSA-N -1 3 387.538 3.600 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(C2CC2)sc1=S ZINC000820121714 606033283 /nfs/dbraw/zinc/03/32/83/606033283.db2.gz VOKLKWNEZNCVTR-UHFFFAOYSA-N -1 3 387.538 3.600 20 0 GHADHM COc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccc1OC1CCCC1 ZINC000821708056 606046107 /nfs/dbraw/zinc/04/61/07/606046107.db2.gz JFVVJCYJOFOQHP-ZDUSSCGKSA-N -1 3 380.452 3.765 20 0 GHADHM COc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccc1OC1CCCC1 ZINC000821708056 606046111 /nfs/dbraw/zinc/04/61/11/606046111.db2.gz JFVVJCYJOFOQHP-ZDUSSCGKSA-N -1 3 380.452 3.765 20 0 GHADHM O=C([O-])Nc1ccccc1CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000834270795 606057124 /nfs/dbraw/zinc/05/71/24/606057124.db2.gz CEXRAMAIHJDIAM-HXUWFJFHSA-N -1 3 381.476 3.662 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822303828 606077184 /nfs/dbraw/zinc/07/71/84/606077184.db2.gz LCBYXSMUJPAOHE-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM Cc1cccc(CN(Cc2ccccn2)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822303828 606077190 /nfs/dbraw/zinc/07/71/90/606077190.db2.gz LCBYXSMUJPAOHE-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n(C)n1 ZINC000820187888 606099467 /nfs/dbraw/zinc/09/94/67/606099467.db2.gz XTVBYDKLJDLSIO-UHFFFAOYSA-N -1 3 388.431 3.610 20 0 GHADHM CC(C)c1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n(C)n1 ZINC000820187888 606099469 /nfs/dbraw/zinc/09/94/69/606099469.db2.gz XTVBYDKLJDLSIO-UHFFFAOYSA-N -1 3 388.431 3.610 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2cc(C)ccc2C)c(-c2nnn[n-]2)c1C ZINC000822230808 606110066 /nfs/dbraw/zinc/11/00/66/606110066.db2.gz QVYSMUIGHINQTF-AWEZNQCLSA-N -1 3 398.536 3.793 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@@H](C)c2cc(C)ccc2C)c(-c2nn[n-]n2)c1C ZINC000822230808 606110068 /nfs/dbraw/zinc/11/00/68/606110068.db2.gz QVYSMUIGHINQTF-AWEZNQCLSA-N -1 3 398.536 3.793 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822230483 606116083 /nfs/dbraw/zinc/11/60/83/606116083.db2.gz HWQQFEJCDKGRCR-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822230483 606116084 /nfs/dbraw/zinc/11/60/84/606116084.db2.gz HWQQFEJCDKGRCR-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000473683624 606121447 /nfs/dbraw/zinc/12/14/47/606121447.db2.gz QDFHZKXLMULAEP-UHFFFAOYSA-N -1 3 384.443 3.531 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000473683624 606121449 /nfs/dbraw/zinc/12/14/49/606121449.db2.gz QDFHZKXLMULAEP-UHFFFAOYSA-N -1 3 384.443 3.531 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820939859 606126115 /nfs/dbraw/zinc/12/61/15/606126115.db2.gz ZKFFANXSKWAMFG-OAHLLOKOSA-N -1 3 382.468 3.528 20 0 GHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820939859 606126117 /nfs/dbraw/zinc/12/61/17/606126117.db2.gz ZKFFANXSKWAMFG-OAHLLOKOSA-N -1 3 382.468 3.528 20 0 GHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820643334 606138708 /nfs/dbraw/zinc/13/87/08/606138708.db2.gz UNEVPYDYIGJDJU-OCCSQVGLSA-N -1 3 388.397 3.738 20 0 GHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820643334 606138709 /nfs/dbraw/zinc/13/87/09/606138709.db2.gz UNEVPYDYIGJDJU-OCCSQVGLSA-N -1 3 388.397 3.738 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1csc(C2CCCCC2)n1 ZINC000823111695 606146012 /nfs/dbraw/zinc/14/60/12/606146012.db2.gz LMHWMWQHJLMVTM-UHFFFAOYSA-N -1 3 383.477 3.657 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1csc(C2CCCCC2)n1 ZINC000823111695 606146013 /nfs/dbraw/zinc/14/60/13/606146013.db2.gz LMHWMWQHJLMVTM-UHFFFAOYSA-N -1 3 383.477 3.657 20 0 GHADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822389329 606154222 /nfs/dbraw/zinc/15/42/22/606154222.db2.gz SHIMQLKPDVIJIK-QMMMGPOBSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822389329 606154223 /nfs/dbraw/zinc/15/42/23/606154223.db2.gz SHIMQLKPDVIJIK-QMMMGPOBSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822389328 606154259 /nfs/dbraw/zinc/15/42/59/606154259.db2.gz SHIMQLKPDVIJIK-MRVPVSSYSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822389328 606154261 /nfs/dbraw/zinc/15/42/61/606154261.db2.gz SHIMQLKPDVIJIK-MRVPVSSYSA-N -1 3 397.386 3.533 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822035280 606156918 /nfs/dbraw/zinc/15/69/18/606156918.db2.gz RTLBLKKOENTNLW-UHFFFAOYSA-N -1 3 394.479 3.541 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822035280 606156920 /nfs/dbraw/zinc/15/69/20/606156920.db2.gz RTLBLKKOENTNLW-UHFFFAOYSA-N -1 3 394.479 3.541 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000820379335 606160838 /nfs/dbraw/zinc/16/08/38/606160838.db2.gz ASNYVYDGIDHNDY-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM CC(C)n1cc2cc(NC(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000820379335 606160840 /nfs/dbraw/zinc/16/08/40/606160840.db2.gz ASNYVYDGIDHNDY-CYBMUJFWSA-N -1 3 390.451 3.680 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000821612146 606161922 /nfs/dbraw/zinc/16/19/22/606161922.db2.gz KVCAXKGQMVEQFE-UHFFFAOYSA-N -1 3 391.460 3.654 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000821612146 606161924 /nfs/dbraw/zinc/16/19/24/606161924.db2.gz KVCAXKGQMVEQFE-UHFFFAOYSA-N -1 3 391.460 3.654 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548845 606179088 /nfs/dbraw/zinc/17/90/88/606179088.db2.gz GTBUNHWZTRZQKD-LESCRADOSA-N -1 3 385.537 3.842 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548845 606179089 /nfs/dbraw/zinc/17/90/89/606179089.db2.gz GTBUNHWZTRZQKD-LESCRADOSA-N -1 3 385.537 3.842 20 0 GHADHM CCc1ccc(CN(C)C(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821480294 606179465 /nfs/dbraw/zinc/17/94/65/606179465.db2.gz AYFILYSUUCNKIO-HNNXBMFYSA-N -1 3 395.532 3.882 20 0 GHADHM CCc1ccc(CN(C)C(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821480294 606179466 /nfs/dbraw/zinc/17/94/66/606179466.db2.gz AYFILYSUUCNKIO-HNNXBMFYSA-N -1 3 395.532 3.882 20 0 GHADHM C[C@@H]1CSc2ccccc2N1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820813463 606189003 /nfs/dbraw/zinc/18/90/03/606189003.db2.gz HSZQJQFTKKCQAK-CYBMUJFWSA-N -1 3 397.529 3.627 20 0 GHADHM C[C@@H]1CSc2ccccc2N1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820813463 606189005 /nfs/dbraw/zinc/18/90/05/606189005.db2.gz HSZQJQFTKKCQAK-CYBMUJFWSA-N -1 3 397.529 3.627 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357104 606193787 /nfs/dbraw/zinc/19/37/87/606193787.db2.gz DUTQMHLCZMZOMF-NQCMUKECSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357104 606193788 /nfs/dbraw/zinc/19/37/88/606193788.db2.gz DUTQMHLCZMZOMF-NQCMUKECSA-N -1 3 394.454 3.690 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2c(Cl)cccc2-c2nnn[n-]2)c(C)c1 ZINC000822194124 606214764 /nfs/dbraw/zinc/21/47/64/606214764.db2.gz JYEBRFBQKPXFMX-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2c(Cl)cccc2-c2nn[n-]n2)c(C)c1 ZINC000822194124 606214766 /nfs/dbraw/zinc/21/47/66/606214766.db2.gz JYEBRFBQKPXFMX-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148416 606222926 /nfs/dbraw/zinc/22/29/26/606222926.db2.gz OKFLGQOMBHAEEP-UGEDRFTOSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148416 606222928 /nfs/dbraw/zinc/22/29/28/606222928.db2.gz OKFLGQOMBHAEEP-UGEDRFTOSA-N -1 3 391.475 3.888 20 0 GHADHM O[C@H](C[C@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823672832 606241216 /nfs/dbraw/zinc/24/12/16/606241216.db2.gz HEJHGSZICKNXDY-SJLPKXTDSA-N -1 3 398.898 3.788 20 0 GHADHM O[C@H](C[C@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823672832 606241218 /nfs/dbraw/zinc/24/12/18/606241218.db2.gz HEJHGSZICKNXDY-SJLPKXTDSA-N -1 3 398.898 3.788 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612799 606249559 /nfs/dbraw/zinc/24/95/59/606249559.db2.gz JJRKYFVGBGBXBC-NRFANRHFSA-N -1 3 376.464 3.743 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612799 606249560 /nfs/dbraw/zinc/24/95/60/606249560.db2.gz JJRKYFVGBGBXBC-NRFANRHFSA-N -1 3 376.464 3.743 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)C1 ZINC000820696705 606263509 /nfs/dbraw/zinc/26/35/09/606263509.db2.gz BHNZTXWXFVZBFT-DYVFJYSZSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)C1 ZINC000820696705 606263510 /nfs/dbraw/zinc/26/35/10/606263510.db2.gz BHNZTXWXFVZBFT-DYVFJYSZSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820648644 606278305 /nfs/dbraw/zinc/27/83/05/606278305.db2.gz DSJBXFXCTFDSPU-ZIAGYGMSSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820648644 606278307 /nfs/dbraw/zinc/27/83/07/606278307.db2.gz DSJBXFXCTFDSPU-ZIAGYGMSSA-N -1 3 379.489 3.888 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640327 606298351 /nfs/dbraw/zinc/29/83/51/606298351.db2.gz GGVLWZTVFLQSPQ-VBKZILBWSA-N -1 3 387.443 3.585 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640327 606298352 /nfs/dbraw/zinc/29/83/52/606298352.db2.gz GGVLWZTVFLQSPQ-VBKZILBWSA-N -1 3 387.443 3.585 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820870432 606300416 /nfs/dbraw/zinc/30/04/16/606300416.db2.gz SMKXLLOGUMQTNA-CQSZACIVSA-N -1 3 383.452 3.547 20 0 GHADHM C[C@H](S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccs1 ZINC000820548865 606312356 /nfs/dbraw/zinc/31/23/56/606312356.db2.gz GZARKTBUVCIAGS-JOYOIKCWSA-N -1 3 377.520 3.589 20 0 GHADHM C[C@H](S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1cccs1 ZINC000820548865 606312357 /nfs/dbraw/zinc/31/23/57/606312357.db2.gz GZARKTBUVCIAGS-JOYOIKCWSA-N -1 3 377.520 3.589 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCc2c(F)cccc21 ZINC000822954958 606325341 /nfs/dbraw/zinc/32/53/41/606325341.db2.gz GTWVZBOGGHQSQC-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCc2c(F)cccc21 ZINC000822954958 606325342 /nfs/dbraw/zinc/32/53/42/606325342.db2.gz GTWVZBOGGHQSQC-UHFFFAOYSA-N -1 3 395.438 3.534 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821982774 606341458 /nfs/dbraw/zinc/34/14/58/606341458.db2.gz BBDNDCKDZZLUSY-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821982774 606341459 /nfs/dbraw/zinc/34/14/59/606341459.db2.gz BBDNDCKDZZLUSY-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339306 606342143 /nfs/dbraw/zinc/34/21/43/606342143.db2.gz BMXJUNFGPQKLKQ-QMTMVMCOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339306 606342145 /nfs/dbraw/zinc/34/21/45/606342145.db2.gz BMXJUNFGPQKLKQ-QMTMVMCOSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497440 606344111 /nfs/dbraw/zinc/34/41/11/606344111.db2.gz RMPOUDUSWYXHIY-JTQLQIEISA-N -1 3 393.230 3.857 20 0 GHADHM C[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497440 606344113 /nfs/dbraw/zinc/34/41/13/606344113.db2.gz RMPOUDUSWYXHIY-JTQLQIEISA-N -1 3 393.230 3.857 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000821854597 606345113 /nfs/dbraw/zinc/34/51/13/606345113.db2.gz OTDDHUYXCACKJY-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM COc1ccc2nc(C)c(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000821854597 606345114 /nfs/dbraw/zinc/34/51/14/606345114.db2.gz OTDDHUYXCACKJY-ZDUSSCGKSA-N -1 3 389.415 3.650 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000822213803 606349987 /nfs/dbraw/zinc/34/99/87/606349987.db2.gz BDVIMLLXMHFCFC-NSHDSACASA-N -1 3 381.417 3.810 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000822213803 606349989 /nfs/dbraw/zinc/34/99/89/606349989.db2.gz BDVIMLLXMHFCFC-NSHDSACASA-N -1 3 381.417 3.810 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488817 606350497 /nfs/dbraw/zinc/35/04/97/606350497.db2.gz USPPZQVSEZJRQN-TTZKWOQHSA-N -1 3 389.209 3.540 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488817 606350498 /nfs/dbraw/zinc/35/04/98/606350498.db2.gz USPPZQVSEZJRQN-TTZKWOQHSA-N -1 3 389.209 3.540 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821427568 606353393 /nfs/dbraw/zinc/35/33/93/606353393.db2.gz VTPBOSBLFKNBJA-CQSZACIVSA-N -1 3 396.447 3.727 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821427568 606353395 /nfs/dbraw/zinc/35/33/95/606353395.db2.gz VTPBOSBLFKNBJA-CQSZACIVSA-N -1 3 396.447 3.727 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823343909 606356099 /nfs/dbraw/zinc/35/60/99/606356099.db2.gz KKGMLFGDPLDCJQ-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823343909 606356100 /nfs/dbraw/zinc/35/61/00/606356100.db2.gz KKGMLFGDPLDCJQ-GFCCVEGCSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(CCC(F)(F)F)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950613 606361957 /nfs/dbraw/zinc/36/19/57/606361957.db2.gz VCVBLTPJLYVYPK-UHFFFAOYSA-N -1 3 378.310 3.907 20 0 GHADHM O=C(CCC(F)(F)F)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950613 606361958 /nfs/dbraw/zinc/36/19/58/606361958.db2.gz VCVBLTPJLYVYPK-UHFFFAOYSA-N -1 3 378.310 3.907 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939692 606362336 /nfs/dbraw/zinc/36/23/36/606362336.db2.gz XDRIPIGCIPKXOJ-WBMJQRKESA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939692 606362337 /nfs/dbraw/zinc/36/23/37/606362337.db2.gz XDRIPIGCIPKXOJ-WBMJQRKESA-N -1 3 385.855 3.555 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCSCC1 ZINC000823454365 606362391 /nfs/dbraw/zinc/36/23/91/606362391.db2.gz OQCKVPRPFLUBLC-UHFFFAOYSA-N -1 3 382.445 3.708 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCSCC1 ZINC000823454365 606362393 /nfs/dbraw/zinc/36/23/93/606362393.db2.gz OQCKVPRPFLUBLC-UHFFFAOYSA-N -1 3 382.445 3.708 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(Cl)cn1 ZINC000823454316 606362590 /nfs/dbraw/zinc/36/25/90/606362590.db2.gz NHCDFXGTJQCKKN-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820870187 606382246 /nfs/dbraw/zinc/38/22/46/606382246.db2.gz OOXAIFODEVMSGZ-CQSZACIVSA-N -1 3 395.467 3.954 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820348841 606441267 /nfs/dbraw/zinc/44/12/67/606441267.db2.gz GKOHWJUYQTYXAK-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820348841 606441269 /nfs/dbraw/zinc/44/12/69/606441269.db2.gz GKOHWJUYQTYXAK-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820342047 606441355 /nfs/dbraw/zinc/44/13/55/606441355.db2.gz SHAROPWOAYULPE-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820342047 606441357 /nfs/dbraw/zinc/44/13/57/606441357.db2.gz SHAROPWOAYULPE-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000820051585 606448767 /nfs/dbraw/zinc/44/87/67/606448767.db2.gz RBLTZYRWWVZVEL-UHFFFAOYSA-N -1 3 397.479 3.841 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000820051585 606448770 /nfs/dbraw/zinc/44/87/70/606448770.db2.gz RBLTZYRWWVZVEL-UHFFFAOYSA-N -1 3 397.479 3.841 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820051895 606449028 /nfs/dbraw/zinc/44/90/28/606449028.db2.gz WZDIGKSIIVZDMM-UHFFFAOYSA-N -1 3 394.479 3.856 20 0 GHADHM CC(C)CC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820051895 606449030 /nfs/dbraw/zinc/44/90/30/606449030.db2.gz WZDIGKSIIVZDMM-UHFFFAOYSA-N -1 3 394.479 3.856 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822204098 606458648 /nfs/dbraw/zinc/45/86/48/606458648.db2.gz DEKVGLZWAWPARC-QGZVFWFLSA-N -1 3 375.411 3.599 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1ccccn1 ZINC000822204098 606458649 /nfs/dbraw/zinc/45/86/49/606458649.db2.gz DEKVGLZWAWPARC-QGZVFWFLSA-N -1 3 375.411 3.599 20 0 GHADHM O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823454076 606468306 /nfs/dbraw/zinc/46/83/06/606468306.db2.gz LBWSSBROTMJWEU-UHFFFAOYSA-N -1 3 397.460 3.666 20 0 GHADHM O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823454076 606468307 /nfs/dbraw/zinc/46/83/07/606468307.db2.gz LBWSSBROTMJWEU-UHFFFAOYSA-N -1 3 397.460 3.666 20 0 GHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000822427570 606489369 /nfs/dbraw/zinc/48/93/69/606489369.db2.gz PIEDXRIEVXLVOG-SNVBAGLBSA-N -1 3 394.451 3.734 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cs1 ZINC000822419953 606489604 /nfs/dbraw/zinc/48/96/04/606489604.db2.gz XSTYSXUIRSKHPI-SNVBAGLBSA-N -1 3 396.501 3.851 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cs1 ZINC000822419953 606489605 /nfs/dbraw/zinc/48/96/05/606489605.db2.gz XSTYSXUIRSKHPI-SNVBAGLBSA-N -1 3 396.501 3.851 20 0 GHADHM COc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cc1ccccc1 ZINC000821832086 606498145 /nfs/dbraw/zinc/49/81/45/606498145.db2.gz ZAEJRAKQFGEKPJ-UHFFFAOYSA-N -1 3 399.454 3.647 20 0 GHADHM COc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cc1ccccc1 ZINC000821832086 606498146 /nfs/dbraw/zinc/49/81/46/606498146.db2.gz ZAEJRAKQFGEKPJ-UHFFFAOYSA-N -1 3 399.454 3.647 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccccc2)cs1 ZINC000820390106 606508876 /nfs/dbraw/zinc/50/88/76/606508876.db2.gz FFOXFGGHVPTFKK-SNVBAGLBSA-N -1 3 382.474 3.543 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccccc2)cs1 ZINC000820390106 606508878 /nfs/dbraw/zinc/50/88/78/606508878.db2.gz FFOXFGGHVPTFKK-SNVBAGLBSA-N -1 3 382.474 3.543 20 0 GHADHM Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(OCc2ccccc2)c1 ZINC000822248382 606515531 /nfs/dbraw/zinc/51/55/31/606515531.db2.gz CPFCHRMCWOWGHL-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(OCc2ccccc2)c1 ZINC000822248382 606515533 /nfs/dbraw/zinc/51/55/33/606515533.db2.gz CPFCHRMCWOWGHL-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM C[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820398001 606520148 /nfs/dbraw/zinc/52/01/48/606520148.db2.gz YQFCYAPEVQCMCJ-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820398001 606520149 /nfs/dbraw/zinc/52/01/49/606520149.db2.gz YQFCYAPEVQCMCJ-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000823472594 606537531 /nfs/dbraw/zinc/53/75/31/606537531.db2.gz RRYANJKNEPYSRN-NSHDSACASA-N -1 3 391.859 3.568 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000823472594 606537533 /nfs/dbraw/zinc/53/75/33/606537533.db2.gz RRYANJKNEPYSRN-NSHDSACASA-N -1 3 391.859 3.568 20 0 GHADHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000821571765 606539090 /nfs/dbraw/zinc/53/90/90/606539090.db2.gz DTPAVXQUIPODJP-UHFFFAOYSA-N -1 3 385.427 3.865 20 0 GHADHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000821571765 606539093 /nfs/dbraw/zinc/53/90/93/606539093.db2.gz DTPAVXQUIPODJP-UHFFFAOYSA-N -1 3 385.427 3.865 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000820717867 606573006 /nfs/dbraw/zinc/57/30/06/606573006.db2.gz XXQIZFUZGXTFMW-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000820717867 606573009 /nfs/dbraw/zinc/57/30/09/606573009.db2.gz XXQIZFUZGXTFMW-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000821309216 606599890 /nfs/dbraw/zinc/59/98/90/606599890.db2.gz KJOXZCKHEAXUGH-UHFFFAOYSA-N -1 3 390.447 3.634 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000822930193 606605371 /nfs/dbraw/zinc/60/53/71/606605371.db2.gz YNSKWQKOQHDZON-SIFUEBAJSA-N -1 3 379.386 3.507 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000822930193 606605373 /nfs/dbraw/zinc/60/53/73/606605373.db2.gz YNSKWQKOQHDZON-SIFUEBAJSA-N -1 3 379.386 3.507 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1CC(C)C1 ZINC000822211534 606620677 /nfs/dbraw/zinc/62/06/77/606620677.db2.gz CYPGLVBNYCRGPW-UHFFFAOYSA-N -1 3 377.448 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1CC(C)C1 ZINC000822211534 606620679 /nfs/dbraw/zinc/62/06/79/606620679.db2.gz CYPGLVBNYCRGPW-UHFFFAOYSA-N -1 3 377.448 3.739 20 0 GHADHM Clc1ccc(SCc2nc(Cc3ccccc3)no2)c(-c2nnn[n-]2)c1 ZINC000822579245 606629796 /nfs/dbraw/zinc/62/97/96/606629796.db2.gz ZDRJEXKBMOYOEB-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1ccc(SCc2nc(Cc3ccccc3)no2)c(-c2nn[n-]n2)c1 ZINC000822579245 606629797 /nfs/dbraw/zinc/62/97/97/606629797.db2.gz ZDRJEXKBMOYOEB-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(Cl)s1 ZINC000819866526 606631240 /nfs/dbraw/zinc/63/12/40/606631240.db2.gz NTMBAGVUMJHELM-ZETCQYMHSA-N -1 3 399.810 3.925 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(Cl)s1 ZINC000819866526 606631241 /nfs/dbraw/zinc/63/12/41/606631241.db2.gz NTMBAGVUMJHELM-ZETCQYMHSA-N -1 3 399.810 3.925 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820563043 606669068 /nfs/dbraw/zinc/66/90/68/606669068.db2.gz MBWKHUABRXDARH-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820563043 606669069 /nfs/dbraw/zinc/66/90/69/606669069.db2.gz MBWKHUABRXDARH-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM O=C([C@H]1C[C@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822916894 606671331 /nfs/dbraw/zinc/67/13/31/606671331.db2.gz HNCBSBICLWFMBL-XLIONFOSSA-N -1 3 399.454 3.872 20 0 GHADHM O=C([C@H]1C[C@H]1Cc1ccccc1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822916894 606671332 /nfs/dbraw/zinc/67/13/32/606671332.db2.gz HNCBSBICLWFMBL-XLIONFOSSA-N -1 3 399.454 3.872 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823454032 606679539 /nfs/dbraw/zinc/67/95/39/606679539.db2.gz JILKYHZBWKUSFO-CQSZACIVSA-N -1 3 383.402 3.555 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000823454032 606679540 /nfs/dbraw/zinc/67/95/40/606679540.db2.gz JILKYHZBWKUSFO-CQSZACIVSA-N -1 3 383.402 3.555 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000820191973 606679712 /nfs/dbraw/zinc/67/97/12/606679712.db2.gz CJVPMNWPLNTVEF-UHFFFAOYSA-N -1 3 385.418 3.631 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000820191973 606679713 /nfs/dbraw/zinc/67/97/13/606679713.db2.gz CJVPMNWPLNTVEF-UHFFFAOYSA-N -1 3 385.418 3.631 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822234010 606681972 /nfs/dbraw/zinc/68/19/72/606681972.db2.gz ZSLKSIVPXHCYIG-HNNXBMFYSA-N -1 3 387.390 3.804 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822234010 606681973 /nfs/dbraw/zinc/68/19/73/606681973.db2.gz ZSLKSIVPXHCYIG-HNNXBMFYSA-N -1 3 387.390 3.804 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820915750 606682344 /nfs/dbraw/zinc/68/23/44/606682344.db2.gz WZPNVHHPBLTENV-OAHLLOKOSA-N -1 3 385.418 3.547 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820915750 606682345 /nfs/dbraw/zinc/68/23/45/606682345.db2.gz WZPNVHHPBLTENV-OAHLLOKOSA-N -1 3 385.418 3.547 20 0 GHADHM C[C@]1(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000820570022 606682383 /nfs/dbraw/zinc/68/23/83/606682383.db2.gz BTMWAJQUOFGAIP-HXUWFJFHSA-N -1 3 397.866 3.622 20 0 GHADHM C[C@]1(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000820570022 606682384 /nfs/dbraw/zinc/68/23/84/606682384.db2.gz BTMWAJQUOFGAIP-HXUWFJFHSA-N -1 3 397.866 3.622 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233285 606682774 /nfs/dbraw/zinc/68/27/74/606682774.db2.gz LQMFBPADDGRWAQ-YJBOKZPZSA-N -1 3 397.429 3.862 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233285 606682775 /nfs/dbraw/zinc/68/27/75/606682775.db2.gz LQMFBPADDGRWAQ-YJBOKZPZSA-N -1 3 397.429 3.862 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1nc(C(C)(C)C)cs1 ZINC000821699163 606705847 /nfs/dbraw/zinc/70/58/47/606705847.db2.gz DZOSXPXROULHIJ-UHFFFAOYSA-N -1 3 379.873 3.862 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1nc(C(C)(C)C)cs1 ZINC000821699163 606705848 /nfs/dbraw/zinc/70/58/48/606705848.db2.gz DZOSXPXROULHIJ-UHFFFAOYSA-N -1 3 379.873 3.862 20 0 GHADHM Cc1cc(C)cc(CSCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822196235 606706639 /nfs/dbraw/zinc/70/66/39/606706639.db2.gz ATNZXUHDCULWAV-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1cc(C)cc(CSCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822196235 606706640 /nfs/dbraw/zinc/70/66/40/606706640.db2.gz ATNZXUHDCULWAV-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821475858 606716728 /nfs/dbraw/zinc/71/67/28/606716728.db2.gz BFWUJNSYTWEUKU-UONOGXRCSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821475858 606716730 /nfs/dbraw/zinc/71/67/30/606716730.db2.gz BFWUJNSYTWEUKU-UONOGXRCSA-N -1 3 389.463 3.891 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820397798 606745707 /nfs/dbraw/zinc/74/57/07/606745707.db2.gz UIDZFSGLLPFZGQ-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820397798 606745709 /nfs/dbraw/zinc/74/57/09/606745709.db2.gz UIDZFSGLLPFZGQ-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM O=C(NCCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCCC1 ZINC000823190865 606752099 /nfs/dbraw/zinc/75/20/99/606752099.db2.gz FUYRGSGEQAHVPV-UHFFFAOYSA-N -1 3 391.475 3.609 20 0 GHADHM O=C(NCCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCCC1 ZINC000823190865 606752101 /nfs/dbraw/zinc/75/21/01/606752101.db2.gz FUYRGSGEQAHVPV-UHFFFAOYSA-N -1 3 391.475 3.609 20 0 GHADHM O=C(CC1CCSCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822945726 606793436 /nfs/dbraw/zinc/79/34/36/606793436.db2.gz PACPHUYPPBGDSV-UHFFFAOYSA-N -1 3 396.476 3.526 20 0 GHADHM O=C(CC1CCSCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822945726 606793438 /nfs/dbraw/zinc/79/34/38/606793438.db2.gz PACPHUYPPBGDSV-UHFFFAOYSA-N -1 3 396.476 3.526 20 0 GHADHM Fc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000822771993 606798766 /nfs/dbraw/zinc/79/87/66/606798766.db2.gz OAHLOVWPSWOVHG-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000822771993 606798771 /nfs/dbraw/zinc/79/87/71/606798771.db2.gz OAHLOVWPSWOVHG-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000821763063 606806546 /nfs/dbraw/zinc/80/65/46/606806546.db2.gz UWDOTRNLRLQOTF-GOSISDBHSA-N -1 3 392.463 3.861 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000821763063 606806547 /nfs/dbraw/zinc/80/65/47/606806547.db2.gz UWDOTRNLRLQOTF-GOSISDBHSA-N -1 3 392.463 3.861 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1OCC(F)F ZINC000823309129 606807019 /nfs/dbraw/zinc/80/70/19/606807019.db2.gz TXCCPBTTYXKYEG-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1OCC(F)F ZINC000823309129 606807021 /nfs/dbraw/zinc/80/70/21/606807021.db2.gz TXCCPBTTYXKYEG-UHFFFAOYSA-N -1 3 394.769 3.808 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000822214220 606861663 /nfs/dbraw/zinc/86/16/63/606861663.db2.gz VDIHVNJANVDKPG-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000822214220 606861666 /nfs/dbraw/zinc/86/16/66/606861666.db2.gz VDIHVNJANVDKPG-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccccc1-c1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822345598 606865494 /nfs/dbraw/zinc/86/54/94/606865494.db2.gz LSRGLWJWYBWBNT-UHFFFAOYSA-N -1 3 394.460 3.786 20 0 GHADHM Cc1ccccc1-c1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822345598 606865496 /nfs/dbraw/zinc/86/54/96/606865496.db2.gz LSRGLWJWYBWBNT-UHFFFAOYSA-N -1 3 394.460 3.786 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821040757 606872610 /nfs/dbraw/zinc/87/26/10/606872610.db2.gz QXHSPEQJMBAQAK-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821040757 606872611 /nfs/dbraw/zinc/87/26/11/606872611.db2.gz QXHSPEQJMBAQAK-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM COc1cccc([C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821858522 606896233 /nfs/dbraw/zinc/89/62/33/606896233.db2.gz GMOZFDUXYHRURY-JTQLQIEISA-N -1 3 392.337 3.812 20 0 GHADHM COc1cccc([C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821858522 606896235 /nfs/dbraw/zinc/89/62/35/606896235.db2.gz GMOZFDUXYHRURY-JTQLQIEISA-N -1 3 392.337 3.812 20 0 GHADHM O[C@H](CN(Cc1ccco1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823674583 606927006 /nfs/dbraw/zinc/92/70/06/606927006.db2.gz ROUUEFVQFYHEQE-LJQANCHMSA-N -1 3 395.850 3.853 20 0 GHADHM O[C@H](CN(Cc1ccco1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823674583 606927008 /nfs/dbraw/zinc/92/70/08/606927008.db2.gz ROUUEFVQFYHEQE-LJQANCHMSA-N -1 3 395.850 3.853 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000823690611 606939535 /nfs/dbraw/zinc/93/95/35/606939535.db2.gz PSCNPUHFOCNGKE-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000823690611 606939536 /nfs/dbraw/zinc/93/95/36/606939536.db2.gz PSCNPUHFOCNGKE-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CCC(F)(F)C2)cc1 ZINC000822136602 606940524 /nfs/dbraw/zinc/94/05/24/606940524.db2.gz MPWSMONQAFXDBT-OAHLLOKOSA-N -1 3 399.401 3.885 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CCC(F)(F)C2)cc1 ZINC000822136602 606940526 /nfs/dbraw/zinc/94/05/26/606940526.db2.gz MPWSMONQAFXDBT-OAHLLOKOSA-N -1 3 399.401 3.885 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822225239 606957615 /nfs/dbraw/zinc/95/76/15/606957615.db2.gz URPJNONVJMEIMH-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822225239 606957617 /nfs/dbraw/zinc/95/76/17/606957617.db2.gz URPJNONVJMEIMH-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820951386 606957868 /nfs/dbraw/zinc/95/78/68/606957868.db2.gz ZFBZUFZXMZIYQZ-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569749 606960685 /nfs/dbraw/zinc/96/06/85/606960685.db2.gz UNQVTAKQGIXNCE-CYBMUJFWSA-N -1 3 385.880 3.763 20 0 GHADHM CN(C(=O)[C@@H]1CCSc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569749 606960686 /nfs/dbraw/zinc/96/06/86/606960686.db2.gz UNQVTAKQGIXNCE-CYBMUJFWSA-N -1 3 385.880 3.763 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569316 606960754 /nfs/dbraw/zinc/96/07/54/606960754.db2.gz FUMNNIYPXGQBBB-OCCSQVGLSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569316 606960755 /nfs/dbraw/zinc/96/07/55/606960755.db2.gz FUMNNIYPXGQBBB-OCCSQVGLSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@H]1SCCc2sccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569880 606964785 /nfs/dbraw/zinc/96/47/85/606964785.db2.gz ZBRLOBXGEAICGH-AWEZNQCLSA-N -1 3 391.909 3.575 20 0 GHADHM CN(C(=O)[C@H]1SCCc2sccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569880 606964786 /nfs/dbraw/zinc/96/47/86/606964786.db2.gz ZBRLOBXGEAICGH-AWEZNQCLSA-N -1 3 391.909 3.575 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)N(C)c3ccccc3-c3nnn[n-]3)cs2)c1 ZINC000822284258 606972694 /nfs/dbraw/zinc/97/26/94/606972694.db2.gz NBQYROQNIVEAHQ-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)N(C)c3ccccc3-c3nn[n-]n3)cs2)c1 ZINC000822284258 606972695 /nfs/dbraw/zinc/97/26/95/606972695.db2.gz NBQYROQNIVEAHQ-UHFFFAOYSA-N -1 3 390.472 3.504 20 0 GHADHM CC=C(C=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)CC ZINC000820832090 606995096 /nfs/dbraw/zinc/99/50/96/606995096.db2.gz GZIQYBXAGKHTIA-GWHSILOSSA-N -1 3 376.420 3.905 20 0 GHADHM CC=C(C=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)CC ZINC000820832090 606995097 /nfs/dbraw/zinc/99/50/97/606995097.db2.gz GZIQYBXAGKHTIA-GWHSILOSSA-N -1 3 376.420 3.905 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Sc3ccc(-c4nnn[n-]4)cn3)o2)cc1C ZINC000822214165 607008737 /nfs/dbraw/zinc/00/87/37/607008737.db2.gz RUXDQHFTTFHYRL-LBPRGKRZSA-N -1 3 379.449 3.782 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Sc3ccc(-c4nn[n-]n4)cn3)o2)cc1C ZINC000822214165 607008739 /nfs/dbraw/zinc/00/87/39/607008739.db2.gz RUXDQHFTTFHYRL-LBPRGKRZSA-N -1 3 379.449 3.782 20 0 GHADHM C[C@H]1CC[C@@H](CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820685229 607027320 /nfs/dbraw/zinc/02/73/20/607027320.db2.gz TXNQKSGLFOPVRV-GXTWGEPZSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@H]1CC[C@@H](CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820685229 607027321 /nfs/dbraw/zinc/02/73/21/607027321.db2.gz TXNQKSGLFOPVRV-GXTWGEPZSA-N -1 3 381.402 3.584 20 0 GHADHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1Cl ZINC000821824164 607038714 /nfs/dbraw/zinc/03/87/14/607038714.db2.gz IYCIRBWZIRBHMU-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1Cl ZINC000821824164 607038716 /nfs/dbraw/zinc/03/87/16/607038716.db2.gz IYCIRBWZIRBHMU-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nnc(CCCc3ccccc3)o2)c1 ZINC000822758654 607040585 /nfs/dbraw/zinc/04/05/85/607040585.db2.gz VFQVCJNTJLZYMO-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nnc(CCCc3ccccc3)o2)c1 ZINC000822758654 607040586 /nfs/dbraw/zinc/04/05/86/607040586.db2.gz VFQVCJNTJLZYMO-UHFFFAOYSA-N -1 3 396.451 3.856 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc2ccc(C)nc21 ZINC000821123461 607043347 /nfs/dbraw/zinc/04/33/47/607043347.db2.gz UDISRIRIJKGGJA-UHFFFAOYSA-N -1 3 387.447 3.798 20 0 GHADHM CC(C)(C)OC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000819946501 607043446 /nfs/dbraw/zinc/04/34/46/607043446.db2.gz MHELBUOTKZOVNX-UHFFFAOYSA-N -1 3 386.887 3.852 20 0 GHADHM CC(C)(C)OC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000819946501 607043447 /nfs/dbraw/zinc/04/34/47/607043447.db2.gz MHELBUOTKZOVNX-UHFFFAOYSA-N -1 3 386.887 3.852 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820914854 607093886 /nfs/dbraw/zinc/09/38/86/607093886.db2.gz QRDVHCHAPMBHPO-HNNXBMFYSA-N -1 3 385.418 3.628 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820914854 607093888 /nfs/dbraw/zinc/09/38/88/607093888.db2.gz QRDVHCHAPMBHPO-HNNXBMFYSA-N -1 3 385.418 3.628 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000821294519 607100871 /nfs/dbraw/zinc/10/08/71/607100871.db2.gz ULFCNAUVFZRJLS-VXGBXAGGSA-N -1 3 382.390 3.606 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000821304588 607102077 /nfs/dbraw/zinc/10/20/77/607102077.db2.gz MBWRHXSQSFSQME-UHFFFAOYSA-N -1 3 391.262 3.787 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 ZINC000820770176 607115896 /nfs/dbraw/zinc/11/58/96/607115896.db2.gz ZGMGLLBXGQJFAO-BMIGLBTASA-N -1 3 395.410 3.913 20 0 GHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 ZINC000820770176 607115898 /nfs/dbraw/zinc/11/58/98/607115898.db2.gz ZGMGLLBXGQJFAO-BMIGLBTASA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H](c2ccsc2)O1 ZINC000820769138 607115942 /nfs/dbraw/zinc/11/59/42/607115942.db2.gz ROJKYFLAJNJLQX-BONVTDFDSA-N -1 3 395.410 3.913 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NC1CC=CC1 ZINC000822211757 607136349 /nfs/dbraw/zinc/13/63/49/607136349.db2.gz NOADCZHNNIDGLW-UHFFFAOYSA-N -1 3 376.420 3.808 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NC1CC=CC1 ZINC000822211757 607136350 /nfs/dbraw/zinc/13/63/50/607136350.db2.gz NOADCZHNNIDGLW-UHFFFAOYSA-N -1 3 376.420 3.808 20 0 GHADHM C[C@H](SCc1cc(F)ccc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820548612 607149691 /nfs/dbraw/zinc/14/96/91/607149691.db2.gz DDCQGGYVOUITKV-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@H](SCc1cc(F)ccc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820548612 607149692 /nfs/dbraw/zinc/14/96/92/607149692.db2.gz DDCQGGYVOUITKV-LBPRGKRZSA-N -1 3 381.440 3.581 20 0 GHADHM O=C(c1ccc2sccc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823488255 607153163 /nfs/dbraw/zinc/15/31/63/607153163.db2.gz KQAFRYZHTZDJAK-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM O=C(c1ccc2sccc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823488255 607153165 /nfs/dbraw/zinc/15/31/65/607153165.db2.gz KQAFRYZHTZDJAK-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM Cc1ccc(OCc2nc(COc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000822263775 607171239 /nfs/dbraw/zinc/17/12/39/607171239.db2.gz YULRHGAEZMGZCQ-UHFFFAOYSA-N -1 3 397.435 3.929 20 0 GHADHM Cc1ccc(OCc2nc(COc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000822263775 607171240 /nfs/dbraw/zinc/17/12/40/607171240.db2.gz YULRHGAEZMGZCQ-UHFFFAOYSA-N -1 3 397.435 3.929 20 0 GHADHM CC(C)c1nnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000820206251 607171960 /nfs/dbraw/zinc/17/19/60/607171960.db2.gz GUKDZGLUNBMVCA-UHFFFAOYSA-N -1 3 377.408 3.778 20 0 GHADHM Cc1cccc2c(Oc3ccc(Br)cc3-c3nnn[n-]3)ncnc12 ZINC000822340839 607174874 /nfs/dbraw/zinc/17/48/74/607174874.db2.gz JZYMIWOIFOOVME-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM Cc1cccc2c(Oc3ccc(Br)cc3-c3nn[n-]n3)ncnc12 ZINC000822340839 607174875 /nfs/dbraw/zinc/17/48/75/607174875.db2.gz JZYMIWOIFOOVME-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000823318740 607191271 /nfs/dbraw/zinc/19/12/71/607191271.db2.gz JBZPHKUMSKFMGD-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000823318740 607191272 /nfs/dbraw/zinc/19/12/72/607191272.db2.gz JBZPHKUMSKFMGD-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823308860 607193929 /nfs/dbraw/zinc/19/39/29/607193929.db2.gz LDWFZJRFHYKJJB-CYBMUJFWSA-N -1 3 390.875 3.524 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823308860 607193930 /nfs/dbraw/zinc/19/39/30/607193930.db2.gz LDWFZJRFHYKJJB-CYBMUJFWSA-N -1 3 390.875 3.524 20 0 GHADHM CC(C)CCOC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820076544 607195603 /nfs/dbraw/zinc/19/56/03/607195603.db2.gz LSZFWCRBQXEQBZ-UHFFFAOYSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)CCOC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820076544 607195604 /nfs/dbraw/zinc/19/56/04/607195604.db2.gz LSZFWCRBQXEQBZ-UHFFFAOYSA-N -1 3 392.891 3.579 20 0 GHADHM Cc1cnc([C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)s1 ZINC000822389538 607197625 /nfs/dbraw/zinc/19/76/25/607197625.db2.gz ZTJMEEKZXYSCQP-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1cnc([C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)s1 ZINC000822389538 607197626 /nfs/dbraw/zinc/19/76/26/607197626.db2.gz ZTJMEEKZXYSCQP-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)ccc1F ZINC000820375079 607197937 /nfs/dbraw/zinc/19/79/37/607197937.db2.gz XRKMCWSYPOTVFB-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)ccc1F ZINC000820375079 607197938 /nfs/dbraw/zinc/19/79/38/607197938.db2.gz XRKMCWSYPOTVFB-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)on1 ZINC000820897681 607200171 /nfs/dbraw/zinc/20/01/71/607200171.db2.gz LLNUQXHJFIJIHN-UHFFFAOYSA-N -1 3 389.847 3.733 20 0 GHADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)on1 ZINC000820897681 607200172 /nfs/dbraw/zinc/20/01/72/607200172.db2.gz LLNUQXHJFIJIHN-UHFFFAOYSA-N -1 3 389.847 3.733 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1CCc2c1cccc2Cl ZINC000823319610 607200731 /nfs/dbraw/zinc/20/07/31/607200731.db2.gz VVTXPYWKBLKUED-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1CCc2c1cccc2Cl ZINC000823319610 607200732 /nfs/dbraw/zinc/20/07/32/607200732.db2.gz VVTXPYWKBLKUED-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000820769144 607227788 /nfs/dbraw/zinc/22/77/88/607227788.db2.gz RQQCMOKGTYQBOB-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000820769144 607227789 /nfs/dbraw/zinc/22/77/89/607227789.db2.gz RQQCMOKGTYQBOB-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000820214563 607237249 /nfs/dbraw/zinc/23/72/49/607237249.db2.gz JDBURCHYHFTICE-UHFFFAOYSA-N -1 3 379.449 3.625 20 0 GHADHM CC(C)n1nccc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000820214563 607237250 /nfs/dbraw/zinc/23/72/50/607237250.db2.gz JDBURCHYHFTICE-UHFFFAOYSA-N -1 3 379.449 3.625 20 0 GHADHM O=C(Cc1ccco1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823115114 607239522 /nfs/dbraw/zinc/23/95/22/607239522.db2.gz JWZGNXDABFJDLC-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(Cc1ccco1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823115114 607239523 /nfs/dbraw/zinc/23/95/23/607239523.db2.gz JWZGNXDABFJDLC-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1CCCc1ccccc1 ZINC000823455015 607250888 /nfs/dbraw/zinc/25/08/88/607250888.db2.gz VGXGELXEOURWRJ-MRXNPFEDSA-N -1 3 397.429 3.772 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1CCCc1ccccc1 ZINC000823455015 607250889 /nfs/dbraw/zinc/25/08/89/607250889.db2.gz VGXGELXEOURWRJ-MRXNPFEDSA-N -1 3 397.429 3.772 20 0 GHADHM c1cc(-c2cccc(CNc3ncnc4ccncc43)c2)sc1-c1nnn[n-]1 ZINC000826516361 607781048 /nfs/dbraw/zinc/78/10/48/607781048.db2.gz HXAHVYUVLILXMW-UHFFFAOYSA-N -1 3 386.444 3.546 20 0 GHADHM CCSc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000825675080 607786303 /nfs/dbraw/zinc/78/63/03/607786303.db2.gz VUDQEUYYPRRWBQ-UHFFFAOYSA-N -1 3 387.896 3.838 20 0 GHADHM CCSc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000825675080 607786304 /nfs/dbraw/zinc/78/63/04/607786304.db2.gz VUDQEUYYPRRWBQ-UHFFFAOYSA-N -1 3 387.896 3.838 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Br)c1 ZINC000826454044 607794362 /nfs/dbraw/zinc/79/43/62/607794362.db2.gz IAWOFXWEOPOLRJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Br)c1 ZINC000826454044 607794363 /nfs/dbraw/zinc/79/43/63/607794363.db2.gz IAWOFXWEOPOLRJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCOC(=O)C(=Cc1cccc(-c2nnn[n-]2)c1)c1nc(C(C)C)c(C)s1 ZINC000825484896 607812931 /nfs/dbraw/zinc/81/29/31/607812931.db2.gz BPDAEJAYVOMBFR-GDNBJRDFSA-N -1 3 383.477 3.859 20 0 GHADHM CCOC(=O)C(=Cc1cccc(-c2nn[n-]n2)c1)c1nc(C(C)C)c(C)s1 ZINC000825484896 607812932 /nfs/dbraw/zinc/81/29/32/607812932.db2.gz BPDAEJAYVOMBFR-GDNBJRDFSA-N -1 3 383.477 3.859 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c2c1 ZINC000826213232 607815504 /nfs/dbraw/zinc/81/55/04/607815504.db2.gz PDXYIWRLFRPPDU-UHFFFAOYSA-N -1 3 393.834 3.863 20 0 GHADHM COc1ccc2cccc(CC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c2c1 ZINC000826213232 607815505 /nfs/dbraw/zinc/81/55/05/607815505.db2.gz PDXYIWRLFRPPDU-UHFFFAOYSA-N -1 3 393.834 3.863 20 0 GHADHM CS[C@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826227291 607835241 /nfs/dbraw/zinc/83/52/41/607835241.db2.gz OVCZCMBBUNHPBY-ZJUUUORDSA-N -1 3 386.308 3.578 20 0 GHADHM CS[C@H]1CCC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826227291 607835242 /nfs/dbraw/zinc/83/52/42/607835242.db2.gz OVCZCMBBUNHPBY-ZJUUUORDSA-N -1 3 386.308 3.578 20 0 GHADHM c1ccc(OCC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826522497 607840844 /nfs/dbraw/zinc/84/08/44/607840844.db2.gz DIEUHSGKJMHEQY-UHFFFAOYSA-N -1 3 386.459 3.710 20 0 GHADHM c1ccc(OCC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826522497 607840845 /nfs/dbraw/zinc/84/08/45/607840845.db2.gz DIEUHSGKJMHEQY-UHFFFAOYSA-N -1 3 386.459 3.710 20 0 GHADHM CCN(C(C)=O)c1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000825390189 607843603 /nfs/dbraw/zinc/84/36/03/607843603.db2.gz AFIYQSSJEVPGDK-UHFFFAOYSA-N -1 3 394.913 3.642 20 0 GHADHM CCN(C(C)=O)c1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000825390189 607843604 /nfs/dbraw/zinc/84/36/04/607843604.db2.gz AFIYQSSJEVPGDK-UHFFFAOYSA-N -1 3 394.913 3.642 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825439928 607844576 /nfs/dbraw/zinc/84/45/76/607844576.db2.gz ULWBECJJTDKEEW-UHFFFAOYSA-N -1 3 387.896 3.661 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825439928 607844577 /nfs/dbraw/zinc/84/45/77/607844577.db2.gz ULWBECJJTDKEEW-UHFFFAOYSA-N -1 3 387.896 3.661 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(C)c1Cl ZINC000826167912 607861265 /nfs/dbraw/zinc/86/12/65/607861265.db2.gz VWHLWGGZMQSGQS-UHFFFAOYSA-N -1 3 379.203 3.710 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(C)c1Cl ZINC000826167912 607861266 /nfs/dbraw/zinc/86/12/66/607861266.db2.gz VWHLWGGZMQSGQS-UHFFFAOYSA-N -1 3 379.203 3.710 20 0 GHADHM CCN(C(=O)CSc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376513 607877901 /nfs/dbraw/zinc/87/79/01/607877901.db2.gz HXRYZAMFZOZBKC-UHFFFAOYSA-N -1 3 387.896 3.974 20 0 GHADHM CCN(C(=O)CSc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376513 607877902 /nfs/dbraw/zinc/87/79/02/607877902.db2.gz HXRYZAMFZOZBKC-UHFFFAOYSA-N -1 3 387.896 3.974 20 0 GHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824655856 607903088 /nfs/dbraw/zinc/90/30/88/607903088.db2.gz GGYBVDCXKFJKBU-GFVXYOJSSA-N -1 3 395.410 3.796 20 0 GHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824655856 607903089 /nfs/dbraw/zinc/90/30/89/607903089.db2.gz GGYBVDCXKFJKBU-GFVXYOJSSA-N -1 3 395.410 3.796 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)[C@H]2CCCC(C)(C)C2)c1C ZINC000826331441 607904232 /nfs/dbraw/zinc/90/42/32/607904232.db2.gz IMEDNZPVIQTIQW-INIZCTEOSA-N -1 3 393.495 3.824 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2cccc(OC(C)C)c2)cccc1-c1nnn[n-]1 ZINC000826242028 607919862 /nfs/dbraw/zinc/91/98/62/607919862.db2.gz XJCRKEPLQQRLBT-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2cccc(OC(C)C)c2)cccc1-c1nn[n-]n1 ZINC000826242028 607919863 /nfs/dbraw/zinc/91/98/63/607919863.db2.gz XJCRKEPLQQRLBT-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000825621443 607925191 /nfs/dbraw/zinc/92/51/91/607925191.db2.gz TVMSIBLYCNUCCW-SFHVURJKSA-N -1 3 383.427 3.783 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000825621443 607925192 /nfs/dbraw/zinc/92/51/92/607925192.db2.gz TVMSIBLYCNUCCW-SFHVURJKSA-N -1 3 383.427 3.783 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826298476 607931103 /nfs/dbraw/zinc/93/11/03/607931103.db2.gz URLWVONOFGKWOB-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@]12CC3CC(C(=O)N4CCc5ccc(-c6nnn[n-]6)cc54)(C1)C[C@@](C)(C3)C2 ZINC000824852579 607951299 /nfs/dbraw/zinc/95/12/99/607951299.db2.gz OBYRTCGJEOLXFY-BGCCBAISSA-N -1 3 377.492 3.752 20 0 GHADHM C[C@]12CC3CC(C(=O)N4CCc5ccc(-c6nn[n-]n6)cc54)(C1)C[C@@](C)(C3)C2 ZINC000824852579 607951300 /nfs/dbraw/zinc/95/13/00/607951300.db2.gz OBYRTCGJEOLXFY-BGCCBAISSA-N -1 3 377.492 3.752 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826420958 607951850 /nfs/dbraw/zinc/95/18/50/607951850.db2.gz LCSHFBMQCMGAMG-UHFFFAOYSA-N -1 3 387.468 3.701 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826420958 607951851 /nfs/dbraw/zinc/95/18/51/607951851.db2.gz LCSHFBMQCMGAMG-UHFFFAOYSA-N -1 3 387.468 3.701 20 0 GHADHM CC[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1nccs1 ZINC000825134583 607964063 /nfs/dbraw/zinc/96/40/63/607964063.db2.gz VGXWFTSVCMZFIR-JTQLQIEISA-N -1 3 383.264 3.511 20 0 GHADHM CC[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1nccs1 ZINC000825134583 607964064 /nfs/dbraw/zinc/96/40/64/607964064.db2.gz VGXWFTSVCMZFIR-JTQLQIEISA-N -1 3 383.264 3.511 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000826208075 607965778 /nfs/dbraw/zinc/96/57/78/607965778.db2.gz RKPMOQQMWPBDAH-WFASDCNBSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000826208075 607965779 /nfs/dbraw/zinc/96/57/79/607965779.db2.gz RKPMOQQMWPBDAH-WFASDCNBSA-N -1 3 399.524 3.819 20 0 GHADHM Cc1cc([C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262253 607968870 /nfs/dbraw/zinc/96/88/70/607968870.db2.gz JOJXSIVKKMBDEC-KRWDZBQOSA-N -1 3 382.468 3.752 20 0 GHADHM Cc1cc([C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262253 607968871 /nfs/dbraw/zinc/96/88/71/607968871.db2.gz JOJXSIVKKMBDEC-KRWDZBQOSA-N -1 3 382.468 3.752 20 0 GHADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385885 607978345 /nfs/dbraw/zinc/97/83/45/607978345.db2.gz UVWJRGVSTRBJIL-CYBMUJFWSA-N -1 3 390.422 3.777 20 0 GHADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385885 607978346 /nfs/dbraw/zinc/97/83/46/607978346.db2.gz UVWJRGVSTRBJIL-CYBMUJFWSA-N -1 3 390.422 3.777 20 0 GHADHM CC(C)CN(C(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255564 607980023 /nfs/dbraw/zinc/98/00/23/607980023.db2.gz OIPWPCCKJIYQPK-UHFFFAOYSA-N -1 3 390.422 3.857 20 0 GHADHM CC(C)CN(C(=O)c1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255564 607980024 /nfs/dbraw/zinc/98/00/24/607980024.db2.gz OIPWPCCKJIYQPK-UHFFFAOYSA-N -1 3 390.422 3.857 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1CCC(F)(F)F ZINC000826465140 607981520 /nfs/dbraw/zinc/98/15/20/607981520.db2.gz AHPVRWIJPGLJNJ-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1CCC(F)(F)F ZINC000826465140 607981521 /nfs/dbraw/zinc/98/15/21/607981521.db2.gz AHPVRWIJPGLJNJ-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1CCC(F)(F)F ZINC000826464834 607981628 /nfs/dbraw/zinc/98/16/28/607981628.db2.gz OHPAYDGBGZMREF-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1CCC(F)(F)F ZINC000826464834 607981629 /nfs/dbraw/zinc/98/16/29/607981629.db2.gz OHPAYDGBGZMREF-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM Cc1c(NC(=O)CCn2ccc3cc(Cl)ccc32)cccc1-c1nnn[n-]1 ZINC000826241514 607994809 /nfs/dbraw/zinc/99/48/09/607994809.db2.gz GHOMIHWHPCCJIR-UHFFFAOYSA-N -1 3 380.839 3.812 20 0 GHADHM Cc1c(NC(=O)CCn2ccc3cc(Cl)ccc32)cccc1-c1nn[n-]n1 ZINC000826241514 607994810 /nfs/dbraw/zinc/99/48/10/607994810.db2.gz GHOMIHWHPCCJIR-UHFFFAOYSA-N -1 3 380.839 3.812 20 0 GHADHM Cc1c(NC(=O)c2ccccc2CCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826242367 607994900 /nfs/dbraw/zinc/99/49/00/607994900.db2.gz LXHXGKWQOMRQGW-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1c(NC(=O)c2ccccc2CCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826242367 607994901 /nfs/dbraw/zinc/99/49/01/607994901.db2.gz LXHXGKWQOMRQGW-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM COc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000826218506 608017082 /nfs/dbraw/zinc/01/70/82/608017082.db2.gz DVHNYHNHMIYYFR-IBGZPJMESA-N -1 3 376.395 3.611 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826329654 608027463 /nfs/dbraw/zinc/02/74/63/608027463.db2.gz MHUJLLXPIUHRTO-VAWYXSNFSA-N -1 3 382.427 3.889 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826329654 608027464 /nfs/dbraw/zinc/02/74/64/608027464.db2.gz MHUJLLXPIUHRTO-VAWYXSNFSA-N -1 3 382.427 3.889 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826329749 608032409 /nfs/dbraw/zinc/03/24/09/608032409.db2.gz QHWUDQSHVHZQDO-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826329749 608032410 /nfs/dbraw/zinc/03/24/10/608032410.db2.gz QHWUDQSHVHZQDO-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1coc(-c2ccccc2)n1 ZINC000823826785 608050312 /nfs/dbraw/zinc/05/03/12/608050312.db2.gz PETDKKSKIFGUIZ-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CCC(F)(F)CC1 ZINC000826452126 608073495 /nfs/dbraw/zinc/07/34/95/608073495.db2.gz IIAQSBLJWROLND-UHFFFAOYSA-N -1 3 390.316 3.585 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CCC(F)(F)CC1 ZINC000826452126 608073496 /nfs/dbraw/zinc/07/34/96/608073496.db2.gz IIAQSBLJWROLND-UHFFFAOYSA-N -1 3 390.316 3.585 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000826369016 608098742 /nfs/dbraw/zinc/09/87/42/608098742.db2.gz JIEURMKKFYGWNZ-UPJWGTAASA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000826369016 608098743 /nfs/dbraw/zinc/09/87/43/608098743.db2.gz JIEURMKKFYGWNZ-UPJWGTAASA-N -1 3 387.456 3.677 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825082819 608102437 /nfs/dbraw/zinc/10/24/37/608102437.db2.gz WBEKUZIOKCINMO-NHAQELONSA-N -1 3 377.452 3.564 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825082819 608102438 /nfs/dbraw/zinc/10/24/38/608102438.db2.gz WBEKUZIOKCINMO-NHAQELONSA-N -1 3 377.452 3.564 20 0 GHADHM CCOC(=O)C(=Cc1cc(-c2nnn[n-]2)cs1)c1nc(C(C)C)c(C)s1 ZINC000825486680 608109362 /nfs/dbraw/zinc/10/93/62/608109362.db2.gz VUAPGJNUFZBQEJ-QPEQYQDCSA-N -1 3 389.506 3.920 20 0 GHADHM CCOC(=O)C(=Cc1cc(-c2nn[n-]n2)cs1)c1nc(C(C)C)c(C)s1 ZINC000825486680 608109363 /nfs/dbraw/zinc/10/93/63/608109363.db2.gz VUAPGJNUFZBQEJ-QPEQYQDCSA-N -1 3 389.506 3.920 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824868107 608119631 /nfs/dbraw/zinc/11/96/31/608119631.db2.gz SVTQZWNXWRIROR-ORAYPTAESA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824868107 608119632 /nfs/dbraw/zinc/11/96/32/608119632.db2.gz SVTQZWNXWRIROR-ORAYPTAESA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H](Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662676 608121827 /nfs/dbraw/zinc/12/18/27/608121827.db2.gz PGBXFTIHAGGOQG-AWEZNQCLSA-N -1 3 386.463 3.583 20 0 GHADHM C[C@H](Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662676 608121828 /nfs/dbraw/zinc/12/18/28/608121828.db2.gz PGBXFTIHAGGOQG-AWEZNQCLSA-N -1 3 386.463 3.583 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826184559 608152311 /nfs/dbraw/zinc/15/23/11/608152311.db2.gz BHGAELHKZXRCKW-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000826184559 608152313 /nfs/dbraw/zinc/15/23/13/608152313.db2.gz BHGAELHKZXRCKW-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)c(Cl)cc2F)c1-c1nnn[n-]1 ZINC000825688368 608156467 /nfs/dbraw/zinc/15/64/67/608156467.db2.gz WPWROLFLCULLIE-UHFFFAOYSA-N -1 3 383.811 3.983 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(F)c(Cl)cc2F)c1-c1nn[n-]n1 ZINC000825688368 608156469 /nfs/dbraw/zinc/15/64/69/608156469.db2.gz WPWROLFLCULLIE-UHFFFAOYSA-N -1 3 383.811 3.983 20 0 GHADHM CC(=O)CCCCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823967819 608200435 /nfs/dbraw/zinc/20/04/35/608200435.db2.gz PPERXCVIUSZWGN-UHFFFAOYSA-N -1 3 398.492 3.858 20 0 GHADHM CC(=O)CCCCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823967819 608200437 /nfs/dbraw/zinc/20/04/37/608200437.db2.gz PPERXCVIUSZWGN-UHFFFAOYSA-N -1 3 398.492 3.858 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000824266819 608205936 /nfs/dbraw/zinc/20/59/36/608205936.db2.gz QSROYGMUQZAGPI-SNVBAGLBSA-N -1 3 394.888 3.929 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000824266819 608205937 /nfs/dbraw/zinc/20/59/37/608205937.db2.gz QSROYGMUQZAGPI-SNVBAGLBSA-N -1 3 394.888 3.929 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000824876673 608207227 /nfs/dbraw/zinc/20/72/27/608207227.db2.gz SYQPLTSQYVNJIK-UTUOFQBUSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000824876673 608207229 /nfs/dbraw/zinc/20/72/29/608207229.db2.gz SYQPLTSQYVNJIK-UTUOFQBUSA-N -1 3 379.917 3.505 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825313462 608228584 /nfs/dbraw/zinc/22/85/84/608228584.db2.gz GFNYJNOMSWNPDM-UXBLZVDNSA-N -1 3 386.459 3.800 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825313462 608228586 /nfs/dbraw/zinc/22/85/86/608228586.db2.gz GFNYJNOMSWNPDM-UXBLZVDNSA-N -1 3 386.459 3.800 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccc(Oc2ccccc2)nn1 ZINC000826372049 608231242 /nfs/dbraw/zinc/23/12/42/608231242.db2.gz FAFGKMZPBQMQEN-UHFFFAOYSA-N -1 3 380.408 3.880 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccc(Oc2ccccc2)nn1 ZINC000826372049 608231243 /nfs/dbraw/zinc/23/12/43/608231243.db2.gz FAFGKMZPBQMQEN-UHFFFAOYSA-N -1 3 380.408 3.880 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385053 608235485 /nfs/dbraw/zinc/23/54/85/608235485.db2.gz KOCIAEMXBZUQDY-KGLIPLIRSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385053 608235487 /nfs/dbraw/zinc/23/54/87/608235487.db2.gz KOCIAEMXBZUQDY-KGLIPLIRSA-N -1 3 383.883 3.966 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000826189739 608238991 /nfs/dbraw/zinc/23/89/91/608238991.db2.gz DEAUXTVGJFLLQR-DJJJIMSYSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@@H](OC)[C@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000826189739 608238993 /nfs/dbraw/zinc/23/89/93/608238993.db2.gz DEAUXTVGJFLLQR-DJJJIMSYSA-N -1 3 390.447 3.612 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825750222 608241002 /nfs/dbraw/zinc/24/10/02/608241002.db2.gz MTJACXUPAPVCHI-UHFFFAOYSA-N -1 3 391.454 3.759 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825750222 608241003 /nfs/dbraw/zinc/24/10/03/608241003.db2.gz MTJACXUPAPVCHI-UHFFFAOYSA-N -1 3 391.454 3.759 20 0 GHADHM Brc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)s1 ZINC000823827063 608271662 /nfs/dbraw/zinc/27/16/62/608271662.db2.gz SSLMNGCTLPRLDH-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM Brc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)s1 ZINC000823827063 608271664 /nfs/dbraw/zinc/27/16/64/608271664.db2.gz SSLMNGCTLPRLDH-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2ccc(F)c(Br)c2)n1 ZINC000826277182 608287258 /nfs/dbraw/zinc/28/72/58/608287258.db2.gz MGISTJAXJCKHAW-SECBINFHSA-N -1 3 377.221 3.645 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2ccc(F)c(Br)c2)n1 ZINC000826277182 608287259 /nfs/dbraw/zinc/28/72/59/608287259.db2.gz MGISTJAXJCKHAW-SECBINFHSA-N -1 3 377.221 3.645 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826352748 608296277 /nfs/dbraw/zinc/29/62/77/608296277.db2.gz MRIMSJNPHNRLBQ-KGLIPLIRSA-N -1 3 398.898 3.711 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000826352748 608296279 /nfs/dbraw/zinc/29/62/79/608296279.db2.gz MRIMSJNPHNRLBQ-KGLIPLIRSA-N -1 3 398.898 3.711 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1-c1nnn[n-]1 ZINC000825687617 608304958 /nfs/dbraw/zinc/30/49/58/608304958.db2.gz KLVJRFIKXKUGAA-HNNXBMFYSA-N -1 3 397.504 3.945 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1-c1nn[n-]n1 ZINC000825687617 608304960 /nfs/dbraw/zinc/30/49/60/608304960.db2.gz KLVJRFIKXKUGAA-HNNXBMFYSA-N -1 3 397.504 3.945 20 0 GHADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812712 608309294 /nfs/dbraw/zinc/30/92/94/608309294.db2.gz RNSGUWWJMNNXDC-XVNBXDOJSA-N -1 3 378.823 3.678 20 0 GHADHM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812712 608309296 /nfs/dbraw/zinc/30/92/96/608309296.db2.gz RNSGUWWJMNNXDC-XVNBXDOJSA-N -1 3 378.823 3.678 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824457156 608320263 /nfs/dbraw/zinc/32/02/63/608320263.db2.gz FZTINYJENVVIIC-INIZCTEOSA-N -1 3 398.470 3.675 20 0 GHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824457156 608320265 /nfs/dbraw/zinc/32/02/65/608320265.db2.gz FZTINYJENVVIIC-INIZCTEOSA-N -1 3 398.470 3.675 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc2nc(C3CC3)sc2c1 ZINC000826170747 608320962 /nfs/dbraw/zinc/32/09/62/608320962.db2.gz NXXASQROMAPTRU-UHFFFAOYSA-N -1 3 378.461 3.975 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc2nc(C3CC3)sc2c1 ZINC000826170747 608320964 /nfs/dbraw/zinc/32/09/64/608320964.db2.gz NXXASQROMAPTRU-UHFFFAOYSA-N -1 3 378.461 3.975 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367058 608345127 /nfs/dbraw/zinc/34/51/27/608345127.db2.gz IOANXKOWDMAFCA-IAGOWNOFSA-N -1 3 397.866 3.685 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367058 608345130 /nfs/dbraw/zinc/34/51/30/608345130.db2.gz IOANXKOWDMAFCA-IAGOWNOFSA-N -1 3 397.866 3.685 20 0 GHADHM CC[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825200282 608356423 /nfs/dbraw/zinc/35/64/23/608356423.db2.gz ACKWJLZGYZIQHR-QGZVFWFLSA-N -1 3 376.464 3.618 20 0 GHADHM CC[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825200282 608356425 /nfs/dbraw/zinc/35/64/25/608356425.db2.gz ACKWJLZGYZIQHR-QGZVFWFLSA-N -1 3 376.464 3.618 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(Br)c(F)c1 ZINC000826371352 608388831 /nfs/dbraw/zinc/38/88/31/608388831.db2.gz CNKNKQUUHQZIEO-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(Br)c(F)c1 ZINC000826371352 608388832 /nfs/dbraw/zinc/38/88/32/608388832.db2.gz CNKNKQUUHQZIEO-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826473064 608389996 /nfs/dbraw/zinc/38/99/96/608389996.db2.gz JGJUGYPMGTYNTO-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826473064 608389998 /nfs/dbraw/zinc/38/99/98/608389998.db2.gz JGJUGYPMGTYNTO-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826355003 608441986 /nfs/dbraw/zinc/44/19/86/608441986.db2.gz GEOUULWZXASDTN-UHFFFAOYSA-N -1 3 385.786 3.508 20 0 GHADHM Cn1c2ccccc2c(Cl)c1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826355003 608441988 /nfs/dbraw/zinc/44/19/88/608441988.db2.gz GEOUULWZXASDTN-UHFFFAOYSA-N -1 3 385.786 3.508 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc2nc(Cl)ccc2c1 ZINC000826466693 608444235 /nfs/dbraw/zinc/44/42/35/608444235.db2.gz PNCMWORDDYDIKG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc2nc(Cl)ccc2c1 ZINC000826466693 608444237 /nfs/dbraw/zinc/44/42/37/608444237.db2.gz PNCMWORDDYDIKG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826406192 608447015 /nfs/dbraw/zinc/44/70/15/608447015.db2.gz LZLOGSWATAXQTK-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM O=C(CCCOc1ccccc1Cl)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826406192 608447017 /nfs/dbraw/zinc/44/70/17/608447017.db2.gz LZLOGSWATAXQTK-UHFFFAOYSA-N -1 3 390.802 3.562 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826466664 608454378 /nfs/dbraw/zinc/45/43/78/608454378.db2.gz OCMCIHFDXKRGJI-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(CCC(F)(F)F)cc1 ZINC000826466664 608454379 /nfs/dbraw/zinc/45/43/79/608454379.db2.gz OCMCIHFDXKRGJI-UHFFFAOYSA-N -1 3 394.328 3.858 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826453201 608469977 /nfs/dbraw/zinc/46/99/77/608469977.db2.gz AMKGLMZAIJJMEP-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826453201 608469979 /nfs/dbraw/zinc/46/99/79/608469979.db2.gz AMKGLMZAIJJMEP-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM c1csc(-c2ccn(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)c1 ZINC000823867536 608487788 /nfs/dbraw/zinc/48/77/88/608487788.db2.gz BYSNKPRONABVQW-UHFFFAOYSA-N -1 3 389.488 3.539 20 0 GHADHM Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826295723 608491292 /nfs/dbraw/zinc/49/12/92/608491292.db2.gz VFXBSDMQNDBZID-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826295724 608491478 /nfs/dbraw/zinc/49/14/78/608491478.db2.gz VFXBSDMQNDBZID-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM C[C@@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824506746 608509135 /nfs/dbraw/zinc/50/91/35/608509135.db2.gz QGPARMVUWIQIEZ-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824506746 608509136 /nfs/dbraw/zinc/50/91/36/608509136.db2.gz QGPARMVUWIQIEZ-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)nc2ccccc21 ZINC000825787549 608533006 /nfs/dbraw/zinc/53/30/06/608533006.db2.gz HMYFJQDGNMLVKW-UHFFFAOYSA-N -1 3 375.480 3.647 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCC1=O ZINC000824868227 608539219 /nfs/dbraw/zinc/53/92/19/608539219.db2.gz UHXSDHXYBWVLNG-NEPJUHHUSA-N -1 3 387.509 3.531 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCC1=O ZINC000824868227 608539220 /nfs/dbraw/zinc/53/92/20/608539220.db2.gz UHXSDHXYBWVLNG-NEPJUHHUSA-N -1 3 387.509 3.531 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000826169819 608555137 /nfs/dbraw/zinc/55/51/37/608555137.db2.gz GPLVCGISANXLKE-UHFFFAOYSA-N -1 3 390.274 3.961 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000826169819 608555138 /nfs/dbraw/zinc/55/51/38/608555138.db2.gz GPLVCGISANXLKE-UHFFFAOYSA-N -1 3 390.274 3.961 20 0 GHADHM Fc1ccccc1COC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826378538 608558587 /nfs/dbraw/zinc/55/85/87/608558587.db2.gz OYENKHFPPPWWAC-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM Fc1ccccc1COC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826378538 608558589 /nfs/dbraw/zinc/55/85/89/608558589.db2.gz OYENKHFPPPWWAC-UHFFFAOYSA-N -1 3 387.846 3.845 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3cc(-c4nnn[n-]4)cs3)cn2)cc1 ZINC000826368204 608568703 /nfs/dbraw/zinc/56/87/03/608568703.db2.gz GQWHDZWPCDHKOG-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM FC(F)(F)c1ccc(-n2cc(NCc3cc(-c4nn[n-]n4)cs3)cn2)cc1 ZINC000826368204 608568704 /nfs/dbraw/zinc/56/87/04/608568704.db2.gz GQWHDZWPCDHKOG-UHFFFAOYSA-N -1 3 391.382 3.745 20 0 GHADHM Fc1ccc([C@H](CC(F)(F)F)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826373505 608569205 /nfs/dbraw/zinc/56/92/05/608569205.db2.gz OTYVMZVXAKFOIV-HNNXBMFYSA-N -1 3 383.324 3.928 20 0 GHADHM Fc1ccc([C@H](CC(F)(F)F)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826373505 608569207 /nfs/dbraw/zinc/56/92/07/608569207.db2.gz OTYVMZVXAKFOIV-HNNXBMFYSA-N -1 3 383.324 3.928 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826291009 608573583 /nfs/dbraw/zinc/57/35/83/608573583.db2.gz KVPKEABHKUYPLR-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826291009 608573584 /nfs/dbraw/zinc/57/35/84/608573584.db2.gz KVPKEABHKUYPLR-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826431479 608574133 /nfs/dbraw/zinc/57/41/33/608574133.db2.gz CABYDROUAGVDAZ-CQSZACIVSA-N -1 3 389.843 3.626 20 0 GHADHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826431479 608574135 /nfs/dbraw/zinc/57/41/35/608574135.db2.gz CABYDROUAGVDAZ-CQSZACIVSA-N -1 3 389.843 3.626 20 0 GHADHM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457265 608574471 /nfs/dbraw/zinc/57/44/71/608574471.db2.gz UKECFADLDNYNCD-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457265 608574472 /nfs/dbraw/zinc/57/44/72/608574472.db2.gz UKECFADLDNYNCD-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000825649672 608588744 /nfs/dbraw/zinc/58/87/44/608588744.db2.gz UUSYSHXAIJZITE-KBPBESRZSA-N -1 3 390.369 3.647 20 0 GHADHM CCOc1cccc([C@@H]2C[C@@H]2Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000825649672 608588746 /nfs/dbraw/zinc/58/87/46/608588746.db2.gz UUSYSHXAIJZITE-KBPBESRZSA-N -1 3 390.369 3.647 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825787515 608650571 /nfs/dbraw/zinc/65/05/71/608650571.db2.gz HAFDDNPNISVYDQ-SFHVURJKSA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000825787515 608650572 /nfs/dbraw/zinc/65/05/72/608650572.db2.gz HAFDDNPNISVYDQ-SFHVURJKSA-N -1 3 391.454 3.713 20 0 GHADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(C)cc1Br ZINC000826257607 608667363 /nfs/dbraw/zinc/66/73/63/608667363.db2.gz IUIVQRKYVYSXKH-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(C)cc1Br ZINC000826257607 608667365 /nfs/dbraw/zinc/66/73/65/608667365.db2.gz IUIVQRKYVYSXKH-UHFFFAOYSA-N -1 3 386.253 3.523 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)c1 ZINC000826368871 608735880 /nfs/dbraw/zinc/73/58/80/608735880.db2.gz DIUSFTZXMNLJAK-CQSZACIVSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1cccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)c1 ZINC000826368871 608735882 /nfs/dbraw/zinc/73/58/82/608735882.db2.gz DIUSFTZXMNLJAK-CQSZACIVSA-N -1 3 395.410 3.521 20 0 GHADHM Fc1ccc2ccnc(N3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)c2c1 ZINC000826376150 608779707 /nfs/dbraw/zinc/77/97/07/608779707.db2.gz QGCUILSKSGTAMB-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM Cc1cc(Cl)cc(C)c1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826267399 608850590 /nfs/dbraw/zinc/85/05/90/608850590.db2.gz DEDVCUUDVRTPKE-IBGZPJMESA-N -1 3 383.883 3.710 20 0 GHADHM O=C(NCc1cc(Cl)ccn1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826440746 608864661 /nfs/dbraw/zinc/86/46/61/608864661.db2.gz YYKUGKOSLKXKCW-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1cc(Cl)ccn1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826440746 608864665 /nfs/dbraw/zinc/86/46/65/608864665.db2.gz YYKUGKOSLKXKCW-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM c1c(CNc2cccc(-c3nnn[n-]3)c2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000826519878 608869417 /nfs/dbraw/zinc/86/94/17/608869417.db2.gz RWPWOFKLGPBLDL-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM c1c(CNc2cccc(-c3nn[n-]n3)c2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000826519878 608869418 /nfs/dbraw/zinc/86/94/18/608869418.db2.gz RWPWOFKLGPBLDL-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM Brc1cccc(-c2c[nH]c(CNc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823832535 608870824 /nfs/dbraw/zinc/87/08/24/608870824.db2.gz QDDIMNFDRUZKFG-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM Brc1cccc(-c2c[nH]c(CNc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823832535 608870825 /nfs/dbraw/zinc/87/08/25/608870825.db2.gz QDDIMNFDRUZKFG-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccccc1SC ZINC000825319105 609162413 /nfs/dbraw/zinc/16/24/13/609162413.db2.gz YBCLPMVMPRNMPP-UHFFFAOYSA-N -1 3 381.505 3.570 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccccc1SC ZINC000825319105 609162415 /nfs/dbraw/zinc/16/24/15/609162415.db2.gz YBCLPMVMPRNMPP-UHFFFAOYSA-N -1 3 381.505 3.570 20 0 GHADHM CCN(C(=O)Cc1ccccc1SC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376873 609162483 /nfs/dbraw/zinc/16/24/83/609162483.db2.gz OPHZBLQMCOFZFV-CQSZACIVSA-N -1 3 381.505 3.741 20 0 GHADHM CCN(C(=O)Cc1ccccc1SC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376873 609162485 /nfs/dbraw/zinc/16/24/85/609162485.db2.gz OPHZBLQMCOFZFV-CQSZACIVSA-N -1 3 381.505 3.741 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000826225992 609165793 /nfs/dbraw/zinc/16/57/93/609165793.db2.gz PLAPARVFPSFGEP-LBPRGKRZSA-N -1 3 384.509 3.744 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000826225992 609165794 /nfs/dbraw/zinc/16/57/94/609165794.db2.gz PLAPARVFPSFGEP-LBPRGKRZSA-N -1 3 384.509 3.744 20 0 GHADHM COCCOCc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826160819 609175889 /nfs/dbraw/zinc/17/58/89/609175889.db2.gz IGPDFSMTZBXZNJ-FQEVSTJZSA-N -1 3 379.464 3.519 20 0 GHADHM COCCOCc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826160819 609175890 /nfs/dbraw/zinc/17/58/90/609175890.db2.gz IGPDFSMTZBXZNJ-FQEVSTJZSA-N -1 3 379.464 3.519 20 0 GHADHM O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826440702 609227586 /nfs/dbraw/zinc/22/75/86/609227586.db2.gz XOJFEMLZHMJNSF-UHFFFAOYSA-N -1 3 396.813 3.584 20 0 GHADHM O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826440702 609227587 /nfs/dbraw/zinc/22/75/87/609227587.db2.gz XOJFEMLZHMJNSF-UHFFFAOYSA-N -1 3 396.813 3.584 20 0 GHADHM COc1ccc(Oc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cn2)cc1 ZINC000826211868 609266300 /nfs/dbraw/zinc/26/63/00/609266300.db2.gz XTLGYTXDMRBWDC-UHFFFAOYSA-N -1 3 380.433 3.736 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826472916 609268185 /nfs/dbraw/zinc/26/81/85/609268185.db2.gz CFPKZOKIAXKMRG-SIJIIQCFSA-N -1 3 379.851 3.838 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826472916 609268186 /nfs/dbraw/zinc/26/81/86/609268186.db2.gz CFPKZOKIAXKMRG-SIJIIQCFSA-N -1 3 379.851 3.838 20 0 GHADHM C[C@H](Nc1cccc(CC(=O)OC(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662085 609270152 /nfs/dbraw/zinc/27/01/52/609270152.db2.gz BVPJZACOYGYURH-AWEZNQCLSA-N -1 3 379.464 3.924 20 0 GHADHM C[C@H](Nc1cccc(CC(=O)OC(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662085 609270154 /nfs/dbraw/zinc/27/01/54/609270154.db2.gz BVPJZACOYGYURH-AWEZNQCLSA-N -1 3 379.464 3.924 20 0 GHADHM Cc1cc(C)n(-c2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2F)n1 ZINC000826265193 609277074 /nfs/dbraw/zinc/27/70/74/609277074.db2.gz PBXWUXYXJNWLGG-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2F)n1 ZINC000826265193 609277076 /nfs/dbraw/zinc/27/70/76/609277076.db2.gz PBXWUXYXJNWLGG-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM C[C@H](Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824655309 609279163 /nfs/dbraw/zinc/27/91/63/609279163.db2.gz CARNTFYAAKEEHH-NSHDSACASA-N -1 3 377.427 3.943 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824713957 609283297 /nfs/dbraw/zinc/28/32/97/609283297.db2.gz LOEKBDIBLYZENN-SNVBAGLBSA-N -1 3 387.490 3.597 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824713957 609283298 /nfs/dbraw/zinc/28/32/98/609283298.db2.gz LOEKBDIBLYZENN-SNVBAGLBSA-N -1 3 387.490 3.597 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000826473201 609288031 /nfs/dbraw/zinc/28/80/31/609288031.db2.gz OMGRPBUDUKEVON-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000826473201 609288032 /nfs/dbraw/zinc/28/80/32/609288032.db2.gz OMGRPBUDUKEVON-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000824201189 609295968 /nfs/dbraw/zinc/29/59/68/609295968.db2.gz YHILIYZFHHYPOW-INIZCTEOSA-N -1 3 395.854 3.524 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000824201189 609295969 /nfs/dbraw/zinc/29/59/69/609295969.db2.gz YHILIYZFHHYPOW-INIZCTEOSA-N -1 3 395.854 3.524 20 0 GHADHM CN(Cc1ccco1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825986325 609305404 /nfs/dbraw/zinc/30/54/04/609305404.db2.gz YTPUQNDDEMCHOP-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CN(Cc1ccco1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825986325 609305406 /nfs/dbraw/zinc/30/54/06/609305406.db2.gz YTPUQNDDEMCHOP-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429108 609315218 /nfs/dbraw/zinc/31/52/18/609315218.db2.gz UOXNHRRYTFODRG-MOPGFXCFSA-N -1 3 397.438 3.945 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429108 609315220 /nfs/dbraw/zinc/31/52/20/609315220.db2.gz UOXNHRRYTFODRG-MOPGFXCFSA-N -1 3 397.438 3.945 20 0 GHADHM CCCC[C@H](COC)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825261133 609320782 /nfs/dbraw/zinc/32/07/82/609320782.db2.gz VAXRAXOHQKQAMX-OAHLLOKOSA-N -1 3 395.463 3.594 20 0 GHADHM CCCC[C@H](COC)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825261133 609320783 /nfs/dbraw/zinc/32/07/83/609320783.db2.gz VAXRAXOHQKQAMX-OAHLLOKOSA-N -1 3 395.463 3.594 20 0 GHADHM C[C@H](NCc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613324 609325111 /nfs/dbraw/zinc/32/51/11/609325111.db2.gz TZSWGXOJBCZXQD-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613324 609325113 /nfs/dbraw/zinc/32/51/13/609325113.db2.gz TZSWGXOJBCZXQD-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825195928 609327010 /nfs/dbraw/zinc/32/70/10/609327010.db2.gz ZVWNWGVZALQVMZ-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825195928 609327012 /nfs/dbraw/zinc/32/70/12/609327012.db2.gz ZVWNWGVZALQVMZ-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM Cc1ncc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826330127 609332297 /nfs/dbraw/zinc/33/22/97/609332297.db2.gz GVQZEOMMPIBQDA-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ncc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826330127 609332299 /nfs/dbraw/zinc/33/22/99/609332299.db2.gz GVQZEOMMPIBQDA-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cn1cc(CNc2ccc(-c3cnco3)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361603 609343414 /nfs/dbraw/zinc/34/34/14/609343414.db2.gz FKTJWYCIGFSXJZ-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM Cn1cc(CNc2ccc(-c3cnco3)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361603 609343416 /nfs/dbraw/zinc/34/34/16/609343416.db2.gz FKTJWYCIGFSXJZ-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM Cn1cc(CNc2cccc(-c3ncco3)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361719 609343485 /nfs/dbraw/zinc/34/34/85/609343485.db2.gz KZBLKQLXDCWWRL-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM Cn1cc(CNc2cccc(-c3ncco3)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361719 609343488 /nfs/dbraw/zinc/34/34/88/609343488.db2.gz KZBLKQLXDCWWRL-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM C[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539888 609344637 /nfs/dbraw/zinc/34/46/37/609344637.db2.gz QOICAODDXUQNDQ-ZUOKHONESA-N -1 3 392.413 3.980 20 0 GHADHM C[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539888 609344639 /nfs/dbraw/zinc/34/46/39/609344639.db2.gz QOICAODDXUQNDQ-ZUOKHONESA-N -1 3 392.413 3.980 20 0 GHADHM COCCc1nc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000826163235 609347927 /nfs/dbraw/zinc/34/79/27/609347927.db2.gz LQPVBPLHJHGUQY-LLVKDONJSA-N -1 3 382.399 3.509 20 0 GHADHM COCCc1nc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000826163235 609347928 /nfs/dbraw/zinc/34/79/28/609347928.db2.gz LQPVBPLHJHGUQY-LLVKDONJSA-N -1 3 382.399 3.509 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000824976366 609385475 /nfs/dbraw/zinc/38/54/75/609385475.db2.gz OJIFBUSJTVDOCH-OKILXGFUSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000824976366 609385478 /nfs/dbraw/zinc/38/54/78/609385478.db2.gz OJIFBUSJTVDOCH-OKILXGFUSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3c(Cl)cc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC000824917120 609432075 /nfs/dbraw/zinc/43/20/75/609432075.db2.gz MBKUIPSDBHCHKA-DYZYQPBXSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3c(Cl)cc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC000824917120 609432077 /nfs/dbraw/zinc/43/20/77/609432077.db2.gz MBKUIPSDBHCHKA-DYZYQPBXSA-N -1 3 380.279 3.826 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC000824977607 609443408 /nfs/dbraw/zinc/44/34/08/609443408.db2.gz RMNJJILWASTCTF-IFUGULHKSA-N -1 3 376.917 3.727 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC000824977607 609443411 /nfs/dbraw/zinc/44/34/11/609443411.db2.gz RMNJJILWASTCTF-IFUGULHKSA-N -1 3 376.917 3.727 20 0 GHADHM CC(C)(C)c1ccc([C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000824135282 609445031 /nfs/dbraw/zinc/44/50/31/609445031.db2.gz DINHQHCTLCAMQM-AWEZNQCLSA-N -1 3 392.385 3.526 20 0 GHADHM CC(C)(C)c1ccc([C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000824135282 609445033 /nfs/dbraw/zinc/44/50/33/609445033.db2.gz DINHQHCTLCAMQM-AWEZNQCLSA-N -1 3 392.385 3.526 20 0 GHADHM Brc1ccc(COc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000823826710 609480175 /nfs/dbraw/zinc/48/01/75/609480175.db2.gz NMTKJBJEEGBVMB-UHFFFAOYSA-N -1 3 382.221 3.756 20 0 GHADHM Brc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)c2ncccc12 ZINC000823827269 609487207 /nfs/dbraw/zinc/48/72/07/609487207.db2.gz YNQZKLWPEBLEFT-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM Brc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)c2ncccc12 ZINC000823827269 609487209 /nfs/dbraw/zinc/48/72/09/609487209.db2.gz YNQZKLWPEBLEFT-UHFFFAOYSA-N -1 3 399.277 3.865 20 0 GHADHM CC(C)Oc1ccc(NCc2nc3cc(Cl)ccc3n2C)cc1-c1nnn[n-]1 ZINC000824329065 609489771 /nfs/dbraw/zinc/48/97/71/609489771.db2.gz HBDCEJCCLVQHIM-UHFFFAOYSA-N -1 3 397.870 3.806 20 0 GHADHM CC(C)Oc1ccc(NCc2nc3cc(Cl)ccc3n2C)cc1-c1nn[n-]n1 ZINC000824329065 609489773 /nfs/dbraw/zinc/48/97/73/609489773.db2.gz HBDCEJCCLVQHIM-UHFFFAOYSA-N -1 3 397.870 3.806 20 0 GHADHM CC(C)Oc1ccc(NCc2cn(C)nc2-c2cccs2)cc1-c1nnn[n-]1 ZINC000824329817 609490278 /nfs/dbraw/zinc/49/02/78/609490278.db2.gz WFUOYXRBLBXUOH-UHFFFAOYSA-N -1 3 395.492 3.728 20 0 GHADHM CC(C)Oc1ccc(NCc2cn(C)nc2-c2cccs2)cc1-c1nn[n-]n1 ZINC000824329817 609490279 /nfs/dbraw/zinc/49/02/79/609490279.db2.gz WFUOYXRBLBXUOH-UHFFFAOYSA-N -1 3 395.492 3.728 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000825553773 609490490 /nfs/dbraw/zinc/49/04/90/609490490.db2.gz WBZIXCHSEXPCNV-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000825553773 609490492 /nfs/dbraw/zinc/49/04/92/609490492.db2.gz WBZIXCHSEXPCNV-UHFFFAOYSA-N -1 3 389.419 3.595 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(OCc4ccc(-c5nnn[n-]5)cc4)c23)C1 ZINC000824970445 609499200 /nfs/dbraw/zinc/49/92/00/609499200.db2.gz XFONIHRFDLDABS-NSHDSACASA-N -1 3 378.461 3.575 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(OCc4ccc(-c5nn[n-]n5)cc4)c23)C1 ZINC000824970445 609499201 /nfs/dbraw/zinc/49/92/01/609499201.db2.gz XFONIHRFDLDABS-NSHDSACASA-N -1 3 378.461 3.575 20 0 GHADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CC=C(c2ccccc2)C1 ZINC000826468433 609502179 /nfs/dbraw/zinc/50/21/79/609502179.db2.gz PVCCVEKCPVJNNH-UHFFFAOYSA-N -1 3 386.242 3.713 20 0 GHADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CC=C(c2ccccc2)C1 ZINC000826468433 609502181 /nfs/dbraw/zinc/50/21/81/609502181.db2.gz PVCCVEKCPVJNNH-UHFFFAOYSA-N -1 3 386.242 3.713 20 0 GHADHM CCCc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC000825348433 609504726 /nfs/dbraw/zinc/50/47/26/609504726.db2.gz KJEXMPAFIABQDS-AWEZNQCLSA-N -1 3 393.495 3.622 20 0 GHADHM CCCc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC000825348433 609504727 /nfs/dbraw/zinc/50/47/27/609504727.db2.gz KJEXMPAFIABQDS-AWEZNQCLSA-N -1 3 393.495 3.622 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)/C(C)=C(/C)CC ZINC000825605033 609509711 /nfs/dbraw/zinc/50/97/11/609509711.db2.gz OJHPJGJIPDSAGU-KTKRTIGZSA-N -1 3 395.257 3.680 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)/C(C)=C(/C)CC ZINC000825605033 609509714 /nfs/dbraw/zinc/50/97/14/609509714.db2.gz OJHPJGJIPDSAGU-KTKRTIGZSA-N -1 3 395.257 3.680 20 0 GHADHM CC(C)OCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309906 609511134 /nfs/dbraw/zinc/51/11/34/609511134.db2.gz ZQXUKPVNESEAOW-MRXNPFEDSA-N -1 3 393.491 3.916 20 0 GHADHM CC(C)OCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309906 609511136 /nfs/dbraw/zinc/51/11/36/609511136.db2.gz ZQXUKPVNESEAOW-MRXNPFEDSA-N -1 3 393.491 3.916 20 0 GHADHM O=C(NC[C@@H]1CCCCS1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826435583 609513191 /nfs/dbraw/zinc/51/31/91/609513191.db2.gz RIMOKVXJFKYSNW-SFHVURJKSA-N -1 3 395.488 3.675 20 0 GHADHM O=C(NC[C@@H]1CCCCS1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826435583 609513192 /nfs/dbraw/zinc/51/31/92/609513192.db2.gz RIMOKVXJFKYSNW-SFHVURJKSA-N -1 3 395.488 3.675 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(OCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826240067 609534179 /nfs/dbraw/zinc/53/41/79/609534179.db2.gz ACSPXAJRIWPWBC-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM Cc1c(Cl)cnc(NCc2cccc(OCC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826240067 609534181 /nfs/dbraw/zinc/53/41/81/609534181.db2.gz ACSPXAJRIWPWBC-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)CCC2 ZINC000826328291 609565336 /nfs/dbraw/zinc/56/53/36/609565336.db2.gz MHIIQIWSFRQLHQ-CQSZACIVSA-N -1 3 399.430 3.948 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)CCC2 ZINC000826328291 609565337 /nfs/dbraw/zinc/56/53/37/609565337.db2.gz MHIIQIWSFRQLHQ-CQSZACIVSA-N -1 3 399.430 3.948 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722533 609590612 /nfs/dbraw/zinc/59/06/12/609590612.db2.gz JLKZSLJQSZTHNR-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722533 609590614 /nfs/dbraw/zinc/59/06/14/609590614.db2.gz JLKZSLJQSZTHNR-IFXJQAMLSA-N -1 3 378.432 3.679 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826284032 609605114 /nfs/dbraw/zinc/60/51/14/609605114.db2.gz IFOZBFWPEIKKIV-UHFFFAOYSA-N -1 3 395.413 3.583 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826284032 609605118 /nfs/dbraw/zinc/60/51/18/609605118.db2.gz IFOZBFWPEIKKIV-UHFFFAOYSA-N -1 3 395.413 3.583 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C/c2ccc(C)cc2)cc1OC ZINC000176567691 837443284 /nfs/dbraw/zinc/44/32/84/837443284.db2.gz DIEVOAYYKVHGTI-AATRIKPKSA-N -1 3 388.489 3.807 20 0 GHADHM O=C([N-][C@@H](c1ccncc1)C1CC1)C(F)(F)c1ncccc1Br ZINC000890900442 837484159 /nfs/dbraw/zinc/48/41/59/837484159.db2.gz HJYJKKJDRIXLCQ-CYBMUJFWSA-N -1 3 382.208 3.598 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c1C ZINC000176690980 837494267 /nfs/dbraw/zinc/49/42/67/837494267.db2.gz ISFVKAVGPNGGDA-UHFFFAOYSA-N -1 3 378.469 3.562 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)OC)cc2)cc1 ZINC000414395217 837695913 /nfs/dbraw/zinc/69/59/13/837695913.db2.gz JPLPPSVXNRODCZ-AWEZNQCLSA-N -1 3 377.462 3.553 20 0 GHADHM CCOC(=O)C(=Cc1cnn2ccccc12)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000255084040 837706945 /nfs/dbraw/zinc/70/69/45/837706945.db2.gz XKNHGPYSMLMZQY-NTEUORMPSA-N -1 3 394.456 3.765 20 0 GHADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccnc1 ZINC000177023592 837720819 /nfs/dbraw/zinc/72/08/19/837720819.db2.gz WKBRNKWWZREJGJ-GFCCVEGCSA-N -1 3 389.340 3.624 20 0 GHADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000176728611 837727567 /nfs/dbraw/zinc/72/75/67/837727567.db2.gz UQGJGSDFLNECKV-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CSCC1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000458550427 834455105 /nfs/dbraw/zinc/45/51/05/834455105.db2.gz KVGZGHJVTHHLFI-UHFFFAOYSA-N -1 3 387.343 3.876 20 0 GHADHM COc1cccc(-c2noc(SCC(=O)Nc3cc(Cl)ccc3[O-])n2)c1 ZINC000510044301 834622395 /nfs/dbraw/zinc/62/23/95/834622395.db2.gz RNXYMJSMPYGNFH-UHFFFAOYSA-N -1 3 391.836 3.835 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000141525902 834782115 /nfs/dbraw/zinc/78/21/15/834782115.db2.gz QNQQWWNPFATERR-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000141525902 834782117 /nfs/dbraw/zinc/78/21/17/834782117.db2.gz QNQQWWNPFATERR-UHFFFAOYSA-N -1 3 398.348 3.929 20 0 GHADHM COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)CCC2 ZINC000654927437 834805289 /nfs/dbraw/zinc/80/52/89/834805289.db2.gz LTGWTHJHMNQLNL-HNNXBMFYSA-N -1 3 390.277 3.900 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000579804191 834821894 /nfs/dbraw/zinc/82/18/94/834821894.db2.gz BSLAHAXWSXQSNJ-MRXNPFEDSA-N -1 3 385.327 3.583 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000683170894 834905498 /nfs/dbraw/zinc/90/54/98/834905498.db2.gz BTVQKUSLFXWQKG-OAHLLOKOSA-N -1 3 381.375 3.611 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000536127437 835036227 /nfs/dbraw/zinc/03/62/27/835036227.db2.gz OWOFUTRJYCRADN-HWPZZCPQSA-N -1 3 375.824 3.673 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cs1 ZINC000151169761 835107916 /nfs/dbraw/zinc/10/79/16/835107916.db2.gz HXEXJTZYQVOUFC-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1OC ZINC000144487027 835219626 /nfs/dbraw/zinc/21/96/26/835219626.db2.gz NISNMKKJUAIRCC-UHFFFAOYSA-N -1 3 377.466 3.718 20 0 GHADHM CS[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000109085097 835273213 /nfs/dbraw/zinc/27/32/13/835273213.db2.gz SFYPIMUMGFTQLT-AWEZNQCLSA-N -1 3 378.519 3.794 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655167823 835346951 /nfs/dbraw/zinc/34/69/51/835346951.db2.gz VPQIZJGYISBDCU-OAHLLOKOSA-N -1 3 387.867 3.871 20 0 GHADHM CC1=NN(c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)CC1 ZINC000151518968 835489838 /nfs/dbraw/zinc/48/98/38/835489838.db2.gz OZLYLMPOGWVJGV-UHFFFAOYSA-N -1 3 388.265 3.671 20 0 GHADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151538951 835502354 /nfs/dbraw/zinc/50/23/54/835502354.db2.gz QJZOSDJQMFRGCA-SECBINFHSA-N -1 3 386.192 3.517 20 0 GHADHM CC1(C(=O)[O-])CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000647374771 835508960 /nfs/dbraw/zinc/50/89/60/835508960.db2.gz LIFFEWSNYWTZTG-MRXNPFEDSA-N -1 3 399.318 3.844 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000151603385 835589389 /nfs/dbraw/zinc/58/93/89/835589389.db2.gz XFEIMFUXRHJSHF-UHFFFAOYSA-N -1 3 390.212 3.614 20 0 GHADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1-c1ccccc1 ZINC000151620377 835656757 /nfs/dbraw/zinc/65/67/57/835656757.db2.gz HLQYOBYQNXSFLM-UHFFFAOYSA-N -1 3 386.249 3.579 20 0 GHADHM C[C@@H](c1cccc(NCc2ncc(Br)cc2[O-])c1)N1CCOCC1 ZINC000892369975 835662089 /nfs/dbraw/zinc/66/20/89/835662089.db2.gz MLDFLQTTYSEZHE-ZDUSSCGKSA-N -1 3 392.297 3.555 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000151644643 835680280 /nfs/dbraw/zinc/68/02/80/835680280.db2.gz NWNGVJIPZVLXBC-UHFFFAOYSA-N -1 3 384.661 3.652 20 0 GHADHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000255738083 835695587 /nfs/dbraw/zinc/69/55/87/835695587.db2.gz XFPJEYHXYXRZFT-HJWRWDBZSA-N -1 3 384.299 3.813 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)[n-]1 ZINC000432875480 844088531 /nfs/dbraw/zinc/08/85/31/844088531.db2.gz GQJRKELGLFKDDF-UHFFFAOYSA-N -1 3 384.363 3.994 20 0 GHADHM COC(=O)c1c(F)cc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)cc1F ZINC000548896063 835808652 /nfs/dbraw/zinc/80/86/52/835808652.db2.gz IVIIEMZASBGGEZ-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM O=S(=O)([N-]Cc1sccc1Br)c1cc(F)ccc1Cl ZINC000169098391 835826733 /nfs/dbraw/zinc/82/67/33/835826733.db2.gz LHCDJOXDWFTYKY-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)ccc2[O-])Cc2ccccc2C1 ZINC000179648158 835923520 /nfs/dbraw/zinc/92/35/20/835923520.db2.gz NYBPFZVRMJWBPY-UHFFFAOYSA-N -1 3 386.423 3.532 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(CC(F)(F)F)CC1 ZINC000172647654 835963329 /nfs/dbraw/zinc/96/33/29/835963329.db2.gz YLCSUZINHMORCF-UHFFFAOYSA-N -1 3 380.366 3.505 20 0 GHADHM Cc1c2cc(F)ccc2oc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511336319 835978845 /nfs/dbraw/zinc/97/88/45/835978845.db2.gz YCVPAEZYTACZPU-UHFFFAOYSA-N -1 3 388.196 3.965 20 0 GHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000471965526 844135472 /nfs/dbraw/zinc/13/54/72/844135472.db2.gz LSSUBNDCIBQVBP-UHFFFAOYSA-N -1 3 398.431 3.681 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccn2C2CCCC2)cc1OC ZINC000180818080 836273158 /nfs/dbraw/zinc/27/31/58/836273158.db2.gz OSJRTBNQETUFCI-UHFFFAOYSA-N -1 3 391.493 3.626 20 0 GHADHM CO[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000509896738 844147695 /nfs/dbraw/zinc/14/76/95/844147695.db2.gz HRTQKUVDHJODMP-IBGZPJMESA-N -1 3 378.432 3.667 20 0 GHADHM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000066584629 836346273 /nfs/dbraw/zinc/34/62/73/836346273.db2.gz WKSZHWYRPDTKFK-FMIVXFBMSA-N -1 3 378.837 3.709 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000047587467 836436717 /nfs/dbraw/zinc/43/67/17/836436717.db2.gz XHPHOFQYFMHECQ-UHFFFAOYSA-N -1 3 391.836 3.619 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000312487532 836458782 /nfs/dbraw/zinc/45/87/82/836458782.db2.gz ILZMYPCUYOQJQV-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000612643842 836534211 /nfs/dbraw/zinc/53/42/11/836534211.db2.gz ULKDAQKRUJVJQO-LSDHHAIUSA-N -1 3 376.250 3.583 20 0 GHADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccccc1OCCn1ccnc1 ZINC000178181905 836534412 /nfs/dbraw/zinc/53/44/12/836534412.db2.gz PYRNNJVXFCULCD-NTEUORMPSA-N -1 3 387.436 3.514 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)nn1 ZINC000683345386 836559448 /nfs/dbraw/zinc/55/94/48/836559448.db2.gz XAXGDGSHEXJCHO-MRXNPFEDSA-N -1 3 396.520 3.896 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000570238176 836575282 /nfs/dbraw/zinc/57/52/82/836575282.db2.gz RHEGHMNCODAJNV-HXUWFJFHSA-N -1 3 375.900 3.769 20 0 GHADHM CSc1cc(C)ccc1[N-]C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000413893146 836669891 /nfs/dbraw/zinc/66/98/91/836669891.db2.gz KYFPEEJECLIGMQ-UHFFFAOYSA-N -1 3 394.518 3.655 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1c(C)noc1C ZINC000119322425 836834212 /nfs/dbraw/zinc/83/42/12/836834212.db2.gz METFZUJWWIVEDK-GFCCVEGCSA-N -1 3 380.363 3.879 20 0 GHADHM COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015898066 836837345 /nfs/dbraw/zinc/83/73/45/836837345.db2.gz BKNKUZVRCNSKDD-WCQYABFASA-N -1 3 394.880 3.744 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnc(N)c(Cl)c3)nc(=O)c2c1C ZINC000728630931 836934376 /nfs/dbraw/zinc/93/43/76/836934376.db2.gz YZAPXTVOFABGDT-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C2CCC2)CC1 ZINC000652868752 836938549 /nfs/dbraw/zinc/93/85/49/836938549.db2.gz QHEWFNLNBJXZIA-HXUWFJFHSA-N -1 3 378.472 3.702 20 0 GHADHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(Cc3ccccc3)n2)s1 ZINC000376404842 836990455 /nfs/dbraw/zinc/99/04/55/836990455.db2.gz BIFAFCXHWQDZRK-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)c(F)cc1F ZINC000175789249 837005080 /nfs/dbraw/zinc/00/50/80/837005080.db2.gz WKDITHUPIXFQON-BEFAXECRSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)c(F)cc1F ZINC000175806008 837020353 /nfs/dbraw/zinc/02/03/53/837020353.db2.gz CCCWVQNSFYKNEB-JTQLQIEISA-N -1 3 397.378 3.502 20 0 GHADHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1c[n-]c2ccccc2c1=O ZINC000032921215 837059840 /nfs/dbraw/zinc/05/98/40/837059840.db2.gz ZBOVHYAZUZPHGT-UHFFFAOYSA-N -1 3 390.468 3.990 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000066306633 837123483 /nfs/dbraw/zinc/12/34/83/837123483.db2.gz NLKNFBZQWQCVNY-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2ccccc2o1 ZINC000048017354 844250732 /nfs/dbraw/zinc/25/07/32/844250732.db2.gz VDQHFVXSNRRBDM-RHSMWYFYSA-N -1 3 378.428 3.620 20 0 GHADHM CCOC(=O)C1CCC(CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000579956805 838048219 /nfs/dbraw/zinc/04/82/19/838048219.db2.gz RFIRFGVKNCHTCB-UHFFFAOYSA-N -1 3 384.270 3.853 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000588174961 838056758 /nfs/dbraw/zinc/05/67/58/838056758.db2.gz WQVYYWZHDQVPET-CQSZACIVSA-N -1 3 376.400 3.986 20 0 GHADHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000579983241 838267549 /nfs/dbraw/zinc/26/75/49/838267549.db2.gz LEGBAKNLTWTBAA-SECBINFHSA-N -1 3 390.330 3.744 20 0 GHADHM C[C@H](NCc1ncc(Br)cc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000892678599 838280597 /nfs/dbraw/zinc/28/05/97/838280597.db2.gz IPMJOZGVYVWHIF-LBPRGKRZSA-N -1 3 390.281 3.527 20 0 GHADHM C[C@H](NCc1ncc(Br)cc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000892678790 838289773 /nfs/dbraw/zinc/28/97/73/838289773.db2.gz KRAGFXZUCALZPQ-LBPRGKRZSA-N -1 3 390.281 3.527 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000129057976 844315767 /nfs/dbraw/zinc/31/57/67/844315767.db2.gz CTEMADBJDPMHAR-FCHUYYIVSA-N -1 3 392.499 3.604 20 0 GHADHM CC(C)C[C@H](CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)CC(=O)[O-] ZINC000659417632 838370400 /nfs/dbraw/zinc/37/04/00/838370400.db2.gz NMYREUBRISUNAB-HDYDNRTBSA-N -1 3 395.588 3.665 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000047343267 838378466 /nfs/dbraw/zinc/37/84/66/838378466.db2.gz OZXUCDHQDUREHX-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CSCc3ccc(Br)cc32)o1 ZINC000657139025 844343566 /nfs/dbraw/zinc/34/35/66/844343566.db2.gz WGLJYBDPFUCFSI-CYBMUJFWSA-N -1 3 388.308 3.617 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2SCC(F)(F)F)c(=O)[n-]1 ZINC000120521343 838581106 /nfs/dbraw/zinc/58/11/06/838581106.db2.gz UYYUBGSXGZOBDP-UHFFFAOYSA-N -1 3 385.411 3.612 20 0 GHADHM C[C@@H]1C[C@H]1c1noc(CC2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000659798498 838681209 /nfs/dbraw/zinc/68/12/09/838681209.db2.gz FWULSSQLXREXLF-XHBKTUGNSA-N -1 3 389.883 3.927 20 0 GHADHM CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1CC ZINC000182748819 838804868 /nfs/dbraw/zinc/80/48/68/838804868.db2.gz FGEYJSMGVGJCKP-UHFFFAOYSA-N -1 3 381.476 3.507 20 0 GHADHM CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182870673 838836305 /nfs/dbraw/zinc/83/63/05/838836305.db2.gz YCNMYBFCGLJCLO-QFIPXVFZSA-N -1 3 388.467 3.912 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000027802027 838873387 /nfs/dbraw/zinc/87/33/87/838873387.db2.gz GZIGFQNXDWIUHZ-UHFFFAOYSA-N -1 3 385.445 3.711 20 0 GHADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000188681883 838895696 /nfs/dbraw/zinc/89/56/96/838895696.db2.gz BNIJYVGVUKGLKL-UHFFFAOYSA-N -1 3 380.473 3.715 20 0 GHADHM COc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)nc1Br ZINC000181856143 838910662 /nfs/dbraw/zinc/91/06/62/838910662.db2.gz YBMMDYWTLRMSSV-UHFFFAOYSA-N -1 3 397.279 3.685 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H](C)[C@H]1C ZINC000416321731 838948481 /nfs/dbraw/zinc/94/84/81/838948481.db2.gz LOPRMMMYEJSCNH-JJDSTIRJSA-N -1 3 380.488 3.756 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1OC ZINC000255169891 839038689 /nfs/dbraw/zinc/03/86/89/839038689.db2.gz MHLGGRSYWAMGAB-PLNGDYQASA-N -1 3 392.452 3.638 20 0 GHADHM CCC1CCC2(CC1)NC(=O)N(Cc1ccc([O-])c(Br)c1)C2=O ZINC000431869327 839119379 /nfs/dbraw/zinc/11/93/79/839119379.db2.gz FIYAKZRUPCKJSZ-UHFFFAOYSA-N -1 3 381.270 3.546 20 0 GHADHM CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000613706063 839130336 /nfs/dbraw/zinc/13/03/36/839130336.db2.gz BGGJKYBSYOIHOP-UHFFFAOYSA-N -1 3 392.253 3.937 20 0 GHADHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCC1 ZINC000129546119 839138699 /nfs/dbraw/zinc/13/86/99/839138699.db2.gz IROJJDUWVAAZCM-CYBMUJFWSA-N -1 3 376.453 3.545 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000182977424 839196080 /nfs/dbraw/zinc/19/60/80/839196080.db2.gz PJUORHUYHICDJH-SFHVURJKSA-N -1 3 386.517 3.655 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C)c(I)c2)c1[O-] ZINC000312785092 839279044 /nfs/dbraw/zinc/27/90/44/839279044.db2.gz OORHIDJULWOSQS-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000313890859 839321239 /nfs/dbraw/zinc/32/12/39/839321239.db2.gz PEYCWLGVWNAILI-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC000683891605 839335224 /nfs/dbraw/zinc/33/52/24/839335224.db2.gz CNHLYHCYMFCZBG-UHFFFAOYSA-N -1 3 385.420 3.543 20 0 GHADHM Cc1ccc(-c2nnc(NC=C3C(=O)[N-]C(=O)c4ccccc43)s2)c(C)c1 ZINC000064937589 839628925 /nfs/dbraw/zinc/62/89/25/839628925.db2.gz PWPOYZOXUVOTFS-MHWRWJLKSA-N -1 3 376.441 3.545 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(F)cc1Br ZINC000314278504 839736900 /nfs/dbraw/zinc/73/69/00/839736900.db2.gz NDZJMGNRCOFNOL-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000728299212 839773554 /nfs/dbraw/zinc/77/35/54/839773554.db2.gz DXZRJPVWIGNHJV-NSHDSACASA-N -1 3 387.379 3.995 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000129980555 840069584 /nfs/dbraw/zinc/06/95/84/840069584.db2.gz ILAJHRCQNAPXGC-UONOGXRCSA-N -1 3 384.398 3.778 20 0 GHADHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000584663840 840461418 /nfs/dbraw/zinc/46/14/18/840461418.db2.gz NCLJBZFXRZQPDL-CYBMUJFWSA-N -1 3 393.409 3.761 20 0 GHADHM O=S(=O)([N-]Cc1ccsc1Br)c1cc(F)ccc1Cl ZINC000388544893 840488654 /nfs/dbraw/zinc/48/86/54/840488654.db2.gz FQYVRAHORCGDLA-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM O=C(CCc1nc(-c2ccsc2)no1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160704929 840521325 /nfs/dbraw/zinc/52/13/25/840521325.db2.gz WJFGFFDJXRWQQN-UHFFFAOYSA-N -1 3 397.378 3.998 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1[O-] ZINC000580968459 840535891 /nfs/dbraw/zinc/53/58/91/840535891.db2.gz UWXXEMILHHYGQY-JTQLQIEISA-N -1 3 396.212 3.902 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000660162238 840538438 /nfs/dbraw/zinc/53/84/38/840538438.db2.gz LXEYBMVHPCYJSV-ZUZCIYMTSA-N -1 3 393.814 3.759 20 0 GHADHM O=S(=O)([N-]Cc1cccc2c1OCO2)c1cc(Cl)ccc1C(F)(F)F ZINC000508806658 844550877 /nfs/dbraw/zinc/55/08/77/844550877.db2.gz PWXSHIBJWBZEOH-UHFFFAOYSA-N -1 3 393.770 3.566 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccc(C)cc2)cc1 ZINC000581080595 840673481 /nfs/dbraw/zinc/67/34/81/840673481.db2.gz SEHXNCQMLUFKNM-NRFANRHFSA-N -1 3 389.455 3.896 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048245604 840695799 /nfs/dbraw/zinc/69/57/99/840695799.db2.gz FCNNAAKQHLALFV-UHFFFAOYSA-N -1 3 396.896 3.816 20 0 GHADHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(C(F)F)o1 ZINC000625445175 840718381 /nfs/dbraw/zinc/71/83/81/840718381.db2.gz AURRFNIHFBYJIH-UHFFFAOYSA-N -1 3 390.342 3.688 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000156003608 840736148 /nfs/dbraw/zinc/73/61/48/840736148.db2.gz SLOXFHPSRXPENG-QMMMGPOBSA-N -1 3 380.775 3.530 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c(C)c1 ZINC000047454417 840838474 /nfs/dbraw/zinc/83/84/74/840838474.db2.gz BFDOUPZUQJIJIO-UHFFFAOYSA-N -1 3 391.493 3.643 20 0 GHADHM COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc([O-])c2F)c2ccccc2)cc1 ZINC000128386449 840844162 /nfs/dbraw/zinc/84/41/62/840844162.db2.gz NLIKHSJGZLXYBB-FQEVSTJZSA-N -1 3 394.402 3.650 20 0 GHADHM O=C(CSc1ccccc1)Nc1cc(I)ccc1[O-] ZINC000610486107 840850755 /nfs/dbraw/zinc/85/07/55/840850755.db2.gz MBDFSPFRWAFXRU-UHFFFAOYSA-N -1 3 385.226 3.728 20 0 GHADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000510369106 840852412 /nfs/dbraw/zinc/85/24/12/840852412.db2.gz KBJYFXBCKCJEAN-RISCZKNCSA-N -1 3 391.320 3.994 20 0 GHADHM C[C@H](C(=O)Nc1cc(I)ccc1[O-])c1ccccc1F ZINC000610490100 840945208 /nfs/dbraw/zinc/94/52/08/840945208.db2.gz AFAYVRGRDVENEG-VIFPVBQESA-N -1 3 385.176 3.878 20 0 GHADHM CSc1ccc(C(=O)Nc2cc(I)ccc2[O-])o1 ZINC000610490234 840959744 /nfs/dbraw/zinc/95/97/44/840959744.db2.gz GFBSYLDUFRILEP-UHFFFAOYSA-N -1 3 375.187 3.564 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cnc2ccsc2c1 ZINC000610490575 840984383 /nfs/dbraw/zinc/98/43/83/840984383.db2.gz DLMFXEGGIHPASY-UHFFFAOYSA-N -1 3 396.209 3.859 20 0 GHADHM CCCc1csc(CN[C@@H](Cc2cccc(Br)c2)C(=O)[O-])n1 ZINC000417560113 840988571 /nfs/dbraw/zinc/98/85/71/840988571.db2.gz JOFHOQPCRKCPQJ-AWEZNQCLSA-N -1 3 383.311 3.644 20 0 GHADHM O=C(CSCc1ccc(F)cc1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000026624714 840998869 /nfs/dbraw/zinc/99/88/69/840998869.db2.gz OZSSXDLMMOVRMO-UHFFFAOYSA-N -1 3 387.263 3.827 20 0 GHADHM COc1cc(C[NH2+][C@H](CCC(=O)[O-])c2ccccc2)cc(Br)c1[O-] ZINC000417603205 841048162 /nfs/dbraw/zinc/04/81/62/841048162.db2.gz QLSJWUNEBLOQKL-OAHLLOKOSA-N -1 3 394.265 3.859 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](NCc2cc(Br)cc3c2OCC3)c2ccccc21 ZINC000417627578 841078697 /nfs/dbraw/zinc/07/86/97/841078697.db2.gz OLMIMYAAYYKPRS-SJORKVTESA-N -1 3 388.261 3.787 20 0 GHADHM C[C@@H](CC1CC1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430559873 841088501 /nfs/dbraw/zinc/08/85/01/841088501.db2.gz FNBMUCCZOLAKAK-QMMMGPOBSA-N -1 3 383.673 3.862 20 0 GHADHM O=C(Nc1ccnc2ccnn21)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430561123 841117983 /nfs/dbraw/zinc/11/79/83/841117983.db2.gz JPIAKLOMFWVZLR-UHFFFAOYSA-N -1 3 397.394 3.615 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC[C@H]2CCC[C@H]21 ZINC000430575173 841206797 /nfs/dbraw/zinc/20/67/97/841206797.db2.gz UTNBYCZRAQMFFX-YMTOWFKASA-N -1 3 395.684 3.959 20 0 GHADHM Cc1nc2ccccc2n1CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000047479202 844622534 /nfs/dbraw/zinc/62/25/34/844622534.db2.gz PJHHMZSGWGPFNB-NSHDSACASA-N -1 3 396.472 3.564 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000621939079 841354995 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GHADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000472040165 845538640 /nfs/dbraw/zinc/53/86/40/845538640.db2.gz ZTPAQCYUOIBFJL-SCZZXKLOSA-N -1 3 381.192 3.637 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000277284575 845538904 /nfs/dbraw/zinc/53/89/04/845538904.db2.gz MCDTVMYBHKLFGC-HNNXBMFYSA-N -1 3 388.514 3.913 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)cc1F ZINC000329525015 861589949 /nfs/dbraw/zinc/58/99/49/861589949.db2.gz SKRKMASNTWXCJF-MRXNPFEDSA-N -1 3 381.448 3.632 20 0 GHADHM CCCSCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000048678305 845970815 /nfs/dbraw/zinc/97/08/15/845970815.db2.gz PJLSERHYLLHUQN-UHFFFAOYSA-N -1 3 378.519 3.878 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2C)cc1 ZINC000057390527 846065547 /nfs/dbraw/zinc/06/55/47/846065547.db2.gz FQYOOUFVNFKYGM-KDOFPFPSSA-N -1 3 388.489 3.789 20 0 GHADHM CN(C)c1nc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(=O)[n-]1 ZINC000434071337 846216114 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COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000548696258 846519461 /nfs/dbraw/zinc/51/94/61/846519461.db2.gz SCHLFZRUYHVMTE-UHFFFAOYSA-N -1 3 386.876 3.659 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000502843207 846536493 /nfs/dbraw/zinc/53/64/93/846536493.db2.gz KURIZWYDCRCRCQ-GOSISDBHSA-N -1 3 391.471 3.980 20 0 GHADHM O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc(=O)c2ccccc2[n-]1 ZINC000277507474 846599174 /nfs/dbraw/zinc/59/91/74/846599174.db2.gz JOTRENZSXUOEHC-GMAHTHKFSA-N -1 3 394.446 3.583 20 0 GHADHM CC(C)[C@H](NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000419589391 846677708 /nfs/dbraw/zinc/67/77/08/846677708.db2.gz QCNVTIQSEYWYTI-IBGZPJMESA-N -1 3 389.496 3.945 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)cc1OC ZINC000414419576 846690629 /nfs/dbraw/zinc/69/06/29/846690629.db2.gz UHGRGGUFURAYMI-LSDHHAIUSA-N -1 3 397.541 3.793 20 0 GHADHM COC(=O)[C@H](CNC(=O)CC[C@@H](C)c1ccccc1)Cc1ccc([O-])c(F)c1 ZINC000422049405 846781726 /nfs/dbraw/zinc/78/17/26/846781726.db2.gz WVXVKUIKLYATFF-QAPCUYQASA-N -1 3 387.451 3.563 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(OCc2ccccn2)c1 ZINC000503132283 846835910 /nfs/dbraw/zinc/83/59/10/846835910.db2.gz PVUMTXWDNFUMNB-CYBMUJFWSA-N -1 3 391.406 3.562 20 0 GHADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NCc1ccc([O-])c(F)c1 ZINC000158346545 847335067 /nfs/dbraw/zinc/33/50/67/847335067.db2.gz VYYADRVYFDUNLE-UHFFFAOYSA-N -1 3 385.370 3.857 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C3)nc2)n1 ZINC000420635217 847342893 /nfs/dbraw/zinc/34/28/93/847342893.db2.gz LYKFTVTWERDUQE-GDBMZVCRSA-N -1 3 398.507 3.611 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)s1 ZINC000273591249 847379711 /nfs/dbraw/zinc/37/97/11/847379711.db2.gz JUJQQUCCUZKLOJ-ZCFIWIBFSA-N -1 3 385.820 3.558 20 0 GHADHM O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc(F)cc2n[n-]nc21 ZINC000503283844 847558600 /nfs/dbraw/zinc/55/86/00/847558600.db2.gz MDPLMZQKNGHIMQ-UHFFFAOYSA-N -1 3 397.313 3.858 20 0 GHADHM Cc1ccc(-c2ccc(CN[C@@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)s2)cc1 ZINC000414655535 847573959 /nfs/dbraw/zinc/57/39/59/847573959.db2.gz JSDIEVFRUAOAME-MJGOQNOKSA-N -1 3 386.517 3.523 20 0 GHADHM C[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000502211511 847595450 /nfs/dbraw/zinc/59/54/50/847595450.db2.gz WRZXRYJPGZXRSN-HNNXBMFYSA-N -1 3 395.484 3.611 20 0 GHADHM Cc1[nH]c2ccc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)cc2c1C ZINC000431453162 847637262 /nfs/dbraw/zinc/63/72/62/847637262.db2.gz RGAZLZYDHCMQMZ-UHFFFAOYSA-N -1 3 383.249 3.869 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NS(=O)(=O)C=Cc3ccc(F)cc3)c2)n1 ZINC000176690455 847708493 /nfs/dbraw/zinc/70/84/93/847708493.db2.gz JDIZWJDMUAEFBC-ZHACJKMWSA-N -1 3 399.447 3.551 20 0 GHADHM CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503445957 847712373 /nfs/dbraw/zinc/71/23/73/847712373.db2.gz IHGUGAQTVWHTKF-QGZVFWFLSA-N -1 3 381.542 3.568 20 0 GHADHM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563409990 847738495 /nfs/dbraw/zinc/73/84/95/847738495.db2.gz YKDJPDDXIACGDH-CQSZACIVSA-N -1 3 396.491 3.556 20 0 GHADHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC000503608687 847829639 /nfs/dbraw/zinc/82/96/39/847829639.db2.gz KYYCRJYRXQJPGO-UHFFFAOYSA-N -1 3 380.301 3.692 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503620967 847839969 /nfs/dbraw/zinc/83/99/69/847839969.db2.gz AAXNRPNRPQTOOY-MUUNZHRXSA-N -1 3 394.431 3.657 20 0 GHADHM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc(F)cc2n[n-]nc21 ZINC000503622913 847841462 /nfs/dbraw/zinc/84/14/62/847841462.db2.gz VBJLXWAWBAHFKR-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503639814 847854241 /nfs/dbraw/zinc/85/42/41/847854241.db2.gz PCKLQJKMQICFOC-UHFFFAOYSA-N -1 3 378.411 3.967 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000421226541 847881218 /nfs/dbraw/zinc/88/12/18/847881218.db2.gz MNYINSRTKVQGCI-SFHVURJKSA-N -1 3 391.537 3.689 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)c(N)c3)nc(=O)c2c1C ZINC000006972213 847908429 /nfs/dbraw/zinc/90/84/29/847908429.db2.gz BHXDPWDWIMEQLZ-QMMMGPOBSA-N -1 3 377.853 3.755 20 0 GHADHM COc1cc(-c2nc(Cn3c4ccccc4nc3C(C)C)no2)cc(OC)c1[O-] ZINC000277818177 848119766 /nfs/dbraw/zinc/11/97/66/848119766.db2.gz CJXSLJYNIXFCFU-UHFFFAOYSA-N -1 3 394.431 3.981 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2coc3cc(F)ccc23)cc1OC ZINC000475014727 861893079 /nfs/dbraw/zinc/89/30/79/861893079.db2.gz ICMXYIMCMMXVBT-UHFFFAOYSA-N -1 3 392.408 3.594 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(Br)ccc1F ZINC000604149111 861893904 /nfs/dbraw/zinc/89/39/04/861893904.db2.gz ZVOMLSDNLDGNKW-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)c1cc(=O)[n-]cn1 ZINC000625443731 861904558 /nfs/dbraw/zinc/90/45/58/861904558.db2.gz MPWRTBPMFAYEJN-UHFFFAOYSA-N -1 3 394.475 3.684 20 0 GHADHM CCN(C(=O)CO[N-]C(=O)CCOc1ccccc1)c1cccc2ccccc21 ZINC000731842485 861922200 /nfs/dbraw/zinc/92/22/00/861922200.db2.gz XDSZRVPYPMJIMY-UHFFFAOYSA-N -1 3 392.455 3.710 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000153536542 848619055 /nfs/dbraw/zinc/61/90/55/848619055.db2.gz LNXYCUVFRJKAOE-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000153536542 848619064 /nfs/dbraw/zinc/61/90/64/848619064.db2.gz LNXYCUVFRJKAOE-UHFFFAOYSA-N -1 3 398.854 3.757 20 0 GHADHM O=C(CCC[S@@](=O)c1ccc(Br)cc1)[N-]OCc1ccccc1 ZINC000731867924 861938650 /nfs/dbraw/zinc/93/86/50/861938650.db2.gz CFBQUMOUTQRYDS-HSZRJFAPSA-N -1 3 396.306 3.585 20 0 GHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1 ZINC000161486479 848850435 /nfs/dbraw/zinc/85/04/35/848850435.db2.gz JBSBMXBPHCLTSF-UHFFFAOYSA-N -1 3 387.288 3.804 20 0 GHADHM Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000604213246 861971133 /nfs/dbraw/zinc/97/11/33/861971133.db2.gz ADQNVBZNKWHFDZ-UHFFFAOYSA-N -1 3 382.474 3.623 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc4c3OCC[C@H]4O)cc2)cc(=O)[n-]1 ZINC000766039784 861991366 /nfs/dbraw/zinc/99/13/66/861991366.db2.gz GTTATFXUFWTJMZ-GOSISDBHSA-N -1 3 392.415 3.618 20 0 GHADHM Cc1ccccc1NC(=S)N[N-]C(=O)c1cc(F)ccc1Br ZINC000061478738 862009596 /nfs/dbraw/zinc/00/95/96/862009596.db2.gz HXCXWDZWGHMDMM-UHFFFAOYSA-N -1 3 382.258 3.528 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1csc([C@H]2CCCO2)n1 ZINC000535973885 849422306 /nfs/dbraw/zinc/42/23/06/849422306.db2.gz NPFLNLIEQIGVBV-GFCCVEGCSA-N -1 3 375.841 3.685 20 0 GHADHM O=C(Nc1ccc(Oc2cccnn2)cc1)c1cc([O-])cc(Br)c1 ZINC001167951740 849768504 /nfs/dbraw/zinc/76/85/04/849768504.db2.gz CYVKYAWEELTIIM-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)cc1C ZINC000604304933 862068515 /nfs/dbraw/zinc/06/85/15/862068515.db2.gz SESHORYYHFIXSB-UHFFFAOYSA-N -1 3 383.473 3.878 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1ccccc1Cl ZINC000504317761 850015909 /nfs/dbraw/zinc/01/59/09/850015909.db2.gz HZMVNJGVDRLFPU-UHFFFAOYSA-N -1 3 376.873 3.630 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000486751978 850054996 /nfs/dbraw/zinc/05/49/96/850054996.db2.gz DOVHFCYXNNDEDI-YOEHRIQHSA-N -1 3 397.541 3.889 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nnn(-c3ccccc3Cl)c2C)s1 ZINC000504446995 850073706 /nfs/dbraw/zinc/07/37/06/850073706.db2.gz WIOXNFOHQWHHDG-UHFFFAOYSA-N -1 3 376.873 3.676 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000504471313 850083851 /nfs/dbraw/zinc/08/38/51/850083851.db2.gz OWEXUIVVEXWWCU-UHFFFAOYSA-N -1 3 398.484 3.762 20 0 GHADHM CCCn1ccc2ccc([N-]S(=O)(=O)CC3(C(=O)OC)CCCC3)cc21 ZINC000514698359 850185967 /nfs/dbraw/zinc/18/59/67/850185967.db2.gz LNZKECRSMGCOCA-UHFFFAOYSA-N -1 3 378.494 3.526 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1cc(F)ccc1Br ZINC000435213297 850218213 /nfs/dbraw/zinc/21/82/13/850218213.db2.gz MSBWPLCXDAXLPV-TZMCWYRMSA-N -1 3 388.233 3.562 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(Br)s1 ZINC000435205915 850231341 /nfs/dbraw/zinc/23/13/41/850231341.db2.gz KFYNILGRFXKKQK-NILFDRSVSA-N -1 3 384.320 3.517 20 0 GHADHM Cc1cc(C)cc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908616806 850238205 /nfs/dbraw/zinc/23/82/05/850238205.db2.gz GKWYYWFCDRWTDR-QFIPXVFZSA-N -1 3 381.476 3.544 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)[N-]S(=O)(=O)c3c(F)cccc3F)cc2)n1 ZINC000443893785 862111897 /nfs/dbraw/zinc/11/18/97/862111897.db2.gz BYTMXESPRCCHIP-AWEZNQCLSA-N -1 3 391.443 3.807 20 0 GHADHM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000908753472 850329993 /nfs/dbraw/zinc/32/99/93/850329993.db2.gz WGZREBSRMCVNIS-WIYYLYMNSA-N -1 3 395.503 3.681 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000908753443 850330322 /nfs/dbraw/zinc/33/03/22/850330322.db2.gz VLPAYFCMLWJVNU-GHTZIAJQSA-N 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ZINC000909680105 850693647 /nfs/dbraw/zinc/69/36/47/850693647.db2.gz FRTVUDFHUNJQBG-QHCPKHFHSA-N -1 3 398.478 3.932 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000435674469 850762006 /nfs/dbraw/zinc/76/20/06/850762006.db2.gz RDWXBLUAIFELRG-UHFFFAOYSA-N -1 3 386.411 3.517 20 0 GHADHM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000909758423 850762542 /nfs/dbraw/zinc/76/25/42/850762542.db2.gz NQLLSPATYQSVQX-XIKOKIGWSA-N -1 3 387.307 3.674 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424906905 850779513 /nfs/dbraw/zinc/77/95/13/850779513.db2.gz LNOIYFYBRGQOPE-BVSLBCMMSA-N -1 3 392.499 3.806 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000515207419 850786915 /nfs/dbraw/zinc/78/69/15/850786915.db2.gz ONRYAIVANTUSMT-UHFFFAOYSA-N -1 3 395.833 3.774 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435741478 850828799 /nfs/dbraw/zinc/82/87/99/850828799.db2.gz JDTBXGUVVHXBQZ-XHDPSFHLSA-N -1 3 390.226 3.555 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1Br ZINC000519265373 850843177 /nfs/dbraw/zinc/84/31/77/850843177.db2.gz OORRQORPWNPBMD-LLVKDONJSA-N -1 3 382.279 3.882 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]([C@@H]4CCCCO4)C3)cc2)cc(=O)[n-]1 ZINC000664410778 850904667 /nfs/dbraw/zinc/90/46/67/850904667.db2.gz ZRMDSKUEKYCGQY-PXNSSMCTSA-N -1 3 396.491 3.971 20 0 GHADHM COc1ccccc1C[C@H](CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426629975 851031429 /nfs/dbraw/zinc/03/14/29/851031429.db2.gz SLVXWYASCNXDCN-QGZVFWFLSA-N -1 3 382.485 3.852 20 0 GHADHM COc1cccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1[O-] ZINC000440327685 851045113 /nfs/dbraw/zinc/04/51/13/851045113.db2.gz NTZOPZRHUKCRMK-UHFFFAOYSA-N -1 3 375.837 3.749 20 0 GHADHM Cc1nc(CSc2ccc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cc2)cs1 ZINC000440355928 851085993 /nfs/dbraw/zinc/08/59/93/851085993.db2.gz IRJKQNHALBXEHX-UHFFFAOYSA-N -1 3 388.474 3.506 20 0 GHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)C(F)(F)F ZINC000443925217 862204918 /nfs/dbraw/zinc/20/49/18/862204918.db2.gz CODPGCQEIQOYNB-IAQYHMDHSA-N -1 3 377.432 3.873 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(Cl)c1 ZINC000506831495 851100917 /nfs/dbraw/zinc/10/09/17/851100917.db2.gz YMIRWIHDIJNXSK-UHFFFAOYSA-N -1 3 380.878 3.715 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000426643214 851103975 /nfs/dbraw/zinc/10/39/75/851103975.db2.gz NJIDRMHBSZPIPF-ACJLOTCBSA-N -1 3 387.929 3.504 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000513998408 851126910 /nfs/dbraw/zinc/12/69/10/851126910.db2.gz BSJLMUCQLARUHU-GOSISDBHSA-N -1 3 376.859 3.681 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)CC(C)C)c2)c(F)cc1F ZINC000440395437 851154677 /nfs/dbraw/zinc/15/46/77/851154677.db2.gz BUNSGIKTYNMCNA-UHFFFAOYSA-N -1 3 396.459 3.736 20 0 GHADHM CCc1ccc(-c2nc(COC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cs2)cc1 ZINC000732340469 862211402 /nfs/dbraw/zinc/21/14/02/862211402.db2.gz VUPALJFWXAFEBU-UHFFFAOYSA-N -1 3 392.436 3.613 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCOCC4)[C@@H]3C3CC3)cc2)cc(=O)[n-]1 ZINC000515600363 851227769 /nfs/dbraw/zinc/22/77/69/851227769.db2.gz PYXCLHSAWIDVPU-FQEVSTJZSA-N -1 3 394.475 3.581 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000488230217 851281748 /nfs/dbraw/zinc/28/17/48/851281748.db2.gz KGHRYPHTGQXRFB-RBUKOAKNSA-N -1 3 375.490 3.732 20 0 GHADHM CC[C@](C)(C(=O)OC)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)CC1CC1 ZINC000425506577 851410691 /nfs/dbraw/zinc/41/06/91/851410691.db2.gz CPEZXEAPVJMSKS-OAQYLSRUSA-N -1 3 383.448 3.635 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1occc1CSc1ccccc1 ZINC000110788089 851441490 /nfs/dbraw/zinc/44/14/90/851441490.db2.gz BZGQNLSISSWVHO-UHFFFAOYSA-N -1 3 391.456 3.682 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1occc1CSc1ccccc1 ZINC000110788089 851441494 /nfs/dbraw/zinc/44/14/94/851441494.db2.gz BZGQNLSISSWVHO-UHFFFAOYSA-N -1 3 391.456 3.682 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](N(C)c4ccccc4)C3)nc2)n1 ZINC000664541704 851452352 /nfs/dbraw/zinc/45/23/52/851452352.db2.gz RWIDVZGEFDMQHV-IBGZPJMESA-N -1 3 375.476 3.522 20 0 GHADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000732391859 862255111 /nfs/dbraw/zinc/25/51/11/862255111.db2.gz OTDDIEHIFCWJJP-OAHLLOKOSA-N -1 3 376.412 3.562 20 0 GHADHM CC1CCN([C@@H](CNC(=O)CC2CCC(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000911101460 851570976 /nfs/dbraw/zinc/57/09/76/851570976.db2.gz HFNRIMRXGOKMAF-ABHNRTSZSA-N -1 3 392.565 3.918 20 0 GHADHM Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000911104682 851574276 /nfs/dbraw/zinc/57/42/76/851574276.db2.gz ZXELXZAYJTUOMF-SFHVURJKSA-N -1 3 386.517 3.958 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2cccc(CC(=O)[O-])c2)c2ccccc2)CC1 ZINC000911246434 851642688 /nfs/dbraw/zinc/64/26/88/851642688.db2.gz GNBYZRQRHLSNFY-OAQYLSRUSA-N -1 3 380.488 3.517 20 0 GHADHM CCCN(C(=O)c1cc(C(=O)[O-])cnc1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226899 851651560 /nfs/dbraw/zinc/65/15/60/851651560.db2.gz FLZAEMLXYZIMFK-FQEVSTJZSA-N -1 3 395.503 3.605 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000911290800 851669763 /nfs/dbraw/zinc/66/97/63/851669763.db2.gz NQXBGWCURHKAOC-HNNXBMFYSA-N -1 3 390.505 3.718 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(-c2cccs2)n[nH]1 ZINC000488675483 851700295 /nfs/dbraw/zinc/70/02/95/851700295.db2.gz IWKCMSXGZZFBSX-UHFFFAOYSA-N -1 3 378.251 3.536 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1Cl ZINC000488913029 851858507 /nfs/dbraw/zinc/85/85/07/851858507.db2.gz CEKHDXZUTPZTBX-HNNXBMFYSA-N -1 3 386.876 3.578 20 0 GHADHM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436549006 852035639 /nfs/dbraw/zinc/03/56/39/852035639.db2.gz DTLAEHTZQWOSDF-UHFFFAOYSA-N -1 3 382.460 3.805 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1Cl ZINC000180747679 862312673 /nfs/dbraw/zinc/31/26/73/862312673.db2.gz UWXRSXNZRXGADV-ZBFHGGJFSA-N -1 3 391.798 3.566 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000506180342 852048013 /nfs/dbraw/zinc/04/80/13/852048013.db2.gz WIUYMXUBZHXZDE-OCCSQVGLSA-N -1 3 377.872 3.694 20 0 GHADHM Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C1CC1 ZINC000436540969 852051691 /nfs/dbraw/zinc/05/16/91/852051691.db2.gz RRJCEHCUZKEYFB-UHFFFAOYSA-N -1 3 379.460 3.568 20 0 GHADHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc2ccccc2c1[O-] ZINC000436576288 852060697 /nfs/dbraw/zinc/06/06/97/852060697.db2.gz PDWTYFMJEDOSON-UHFFFAOYSA-N -1 3 376.456 3.754 20 0 GHADHM C[C@H]1CN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3[O-])c2)CCO1 ZINC000436558234 852062592 /nfs/dbraw/zinc/06/25/92/852062592.db2.gz WZSAUUJGODUQNZ-KRWDZBQOSA-N -1 3 390.483 3.696 20 0 GHADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OCc1ccncc1 ZINC000436567807 852069901 /nfs/dbraw/zinc/06/99/01/852069901.db2.gz URXJAWCDLIIWOJ-UHFFFAOYSA-N -1 3 392.411 3.830 20 0 GHADHM NC(=O)CCOc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436567075 852070368 /nfs/dbraw/zinc/07/03/68/852070368.db2.gz WTRKZTQAMCENMF-UHFFFAOYSA-N -1 3 392.411 3.691 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc(I)cc1 ZINC000436571318 852074656 /nfs/dbraw/zinc/07/46/56/852074656.db2.gz CNEJVCSXBCKUAI-HNNXBMFYSA-N -1 3 393.224 3.974 20 0 GHADHM CN(CC(=O)Nc1ccccc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436593662 852080493 /nfs/dbraw/zinc/08/04/93/852080493.db2.gz BYRWGTYBXNVKRK-UHFFFAOYSA-N -1 3 388.467 3.888 20 0 GHADHM Cc1nc(C)n(Cc2cccc(NC(=O)c3cc4c(cc3[O-])CCCC4)c2)n1 ZINC000436580360 852088351 /nfs/dbraw/zinc/08/83/51/852088351.db2.gz CCDVFDIVOOXSON-UHFFFAOYSA-N -1 3 376.460 3.780 20 0 GHADHM COc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436625199 852120359 /nfs/dbraw/zinc/12/03/59/852120359.db2.gz CHHANZGFSDGPBQ-UHFFFAOYSA-N -1 3 397.456 3.599 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCC[C@@H](C)C3)cs2)c1 ZINC000436637165 852132034 /nfs/dbraw/zinc/13/20/34/852132034.db2.gz ZFXBTNNTSDRFRY-OCCSQVGLSA-N -1 3 387.505 3.647 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436623728 852137078 /nfs/dbraw/zinc/13/70/78/852137078.db2.gz HMIZBOCPBFIBPH-OAQYLSRUSA-N -1 3 394.515 3.869 20 0 GHADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000436651801 852141235 /nfs/dbraw/zinc/14/12/35/852141235.db2.gz XYDIJHDGHLOMCU-CYBMUJFWSA-N -1 3 375.852 3.855 20 0 GHADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000436651802 852141338 /nfs/dbraw/zinc/14/13/38/852141338.db2.gz XYDIJHDGHLOMCU-ZDUSSCGKSA-N -1 3 375.852 3.855 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])c(OCC(F)(F)F)c1 ZINC000436653981 852143734 /nfs/dbraw/zinc/14/37/34/852143734.db2.gz HDTVGARMCNNPMU-UHFFFAOYSA-N -1 3 383.322 3.681 20 0 GHADHM NC(=O)N1CCc2cc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])ccc21 ZINC000436639345 852148336 /nfs/dbraw/zinc/14/83/36/852148336.db2.gz JXEVNEIGXLBQRF-UHFFFAOYSA-N -1 3 389.411 3.878 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([O-])c1 ZINC000436673661 852173601 /nfs/dbraw/zinc/17/36/01/852173601.db2.gz FNVXFYXYZPWVHO-ACDBMABISA-N -1 3 392.499 3.758 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1[O-] ZINC000436673152 852173625 /nfs/dbraw/zinc/17/36/25/852173625.db2.gz OFYDCOATFXTUNW-UHFFFAOYSA-N -1 3 390.439 3.626 20 0 GHADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1cc2ccc(Br)cn2[nH]1 ZINC000436659990 852177332 /nfs/dbraw/zinc/17/73/32/852177332.db2.gz RAGQUTQBFWVVDG-UHFFFAOYSA-N -1 3 388.265 3.908 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc(OC(C)C)c3)no2)c([O-])c1 ZINC000436687776 852197391 /nfs/dbraw/zinc/19/73/91/852197391.db2.gz JJKBWKALKPQHJF-UHFFFAOYSA-N -1 3 381.432 3.510 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000436699028 852213410 /nfs/dbraw/zinc/21/34/10/852213410.db2.gz SEETYCOLIWRMCP-UHFFFAOYSA-N -1 3 380.419 3.749 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc(N3CCCCC3)n2C2CC2)no1 ZINC000436705047 852221548 /nfs/dbraw/zinc/22/15/48/852221548.db2.gz MDXMKGIIAUPLRJ-UHFFFAOYSA-N -1 3 398.492 3.651 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436714534 852237080 /nfs/dbraw/zinc/23/70/80/852237080.db2.gz IJKLMHHBGURJAM-QFIPXVFZSA-N -1 3 394.515 3.582 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)c([O-])c1 ZINC000436733723 852273636 /nfs/dbraw/zinc/27/36/36/852273636.db2.gz IUJAGSBIRGDLFF-UHFFFAOYSA-N -1 3 389.455 3.515 20 0 GHADHM O=C(NCCc1cn2c(n1)CCCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436760026 852279521 /nfs/dbraw/zinc/27/95/21/852279521.db2.gz KQOWJYLYRVTUKL-UHFFFAOYSA-N -1 3 377.444 3.690 20 0 GHADHM COc1cccc([C@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)N(C)C)c1 ZINC000436756022 852300966 /nfs/dbraw/zinc/30/09/66/852300966.db2.gz PNOZDOGBPRPSES-HNNXBMFYSA-N -1 3 383.275 3.740 20 0 GHADHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436765836 852320887 /nfs/dbraw/zinc/32/08/87/852320887.db2.gz ZEPNYSIWOLFINF-UHFFFAOYSA-N -1 3 393.409 3.724 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2-c2ncc3n2CCCC3)c(=O)[n-]1 ZINC000517734357 852321632 /nfs/dbraw/zinc/32/16/32/852321632.db2.gz IZZIFIBXEXOWHI-UHFFFAOYSA-N -1 3 391.475 3.570 20 0 GHADHM COc1ccc(Br)cc1[C@H](NCc1cccc2[nH]ccc21)C(=O)[O-] ZINC000426732656 852327887 /nfs/dbraw/zinc/32/78/87/852327887.db2.gz JJWKRBVSASSTKE-KRWDZBQOSA-N -1 3 389.249 3.855 20 0 GHADHM CNC(=O)c1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000426757709 852364660 /nfs/dbraw/zinc/36/46/60/852364660.db2.gz QBIQVPQOXGEZKX-INIZCTEOSA-N -1 3 381.259 3.659 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c([O-])c1 ZINC000436804366 852364867 /nfs/dbraw/zinc/36/48/67/852364867.db2.gz ANAFKZBDJZSNHZ-MRXNPFEDSA-N -1 3 388.439 3.789 20 0 GHADHM COc1cc(CNC(=O)c2ccc(O)cc2[O-])ccc1OCc1ccccc1 ZINC000436823554 852392424 /nfs/dbraw/zinc/39/24/24/852392424.db2.gz BRILRTJJOWIDRD-UHFFFAOYSA-N -1 3 379.412 3.615 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000426806284 852394976 /nfs/dbraw/zinc/39/49/76/852394976.db2.gz JFHIERWZSWZRMT-KRWDZBQOSA-N -1 3 383.366 3.942 20 0 GHADHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000517814954 852459669 /nfs/dbraw/zinc/45/96/69/852459669.db2.gz WPZQNEBPVOUJLP-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000517814954 852459678 /nfs/dbraw/zinc/45/96/78/852459678.db2.gz WPZQNEBPVOUJLP-UHFFFAOYSA-N -1 3 397.438 3.967 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1sccc1OC(F)F ZINC000436911988 852477456 /nfs/dbraw/zinc/47/74/56/852477456.db2.gz BTKUKQMSGDLUDP-UHFFFAOYSA-N -1 3 386.767 3.746 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCc2cccc(Cl)c2Cl)CC1 ZINC000436911670 852478628 /nfs/dbraw/zinc/47/86/28/852478628.db2.gz UZPBHFGGLBPFJU-UHFFFAOYSA-N -1 3 379.287 3.700 20 0 GHADHM COc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1OCc1ccncc1 ZINC000436912876 852479906 /nfs/dbraw/zinc/47/99/06/852479906.db2.gz DOPBMGUSZRSDTK-UHFFFAOYSA-N -1 3 380.400 3.636 20 0 GHADHM Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436914538 852494116 /nfs/dbraw/zinc/49/41/16/852494116.db2.gz ZMWIVHSYHQNPAK-HXUWFJFHSA-N -1 3 394.496 3.940 20 0 GHADHM COc1cccc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c1[O-] ZINC000436916696 852496858 /nfs/dbraw/zinc/49/68/58/852496858.db2.gz AWORHDCYFBOUJW-UHFFFAOYSA-N -1 3 376.372 3.624 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)c1 ZINC000436950085 852512583 /nfs/dbraw/zinc/51/25/83/852512583.db2.gz MALJPAKWEPUXTL-CYBMUJFWSA-N -1 3 379.416 3.742 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000436945685 852528125 /nfs/dbraw/zinc/52/81/25/852528125.db2.gz NKZXYJYIEYKBCO-QZTJIDSGSA-N -1 3 398.890 3.570 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000436945688 852528175 /nfs/dbraw/zinc/52/81/75/852528175.db2.gz NKZXYJYIEYKBCO-ROUUACIJSA-N -1 3 398.890 3.570 20 0 GHADHM CCc1ccc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC000436947018 852529272 /nfs/dbraw/zinc/52/92/72/852529272.db2.gz KZYBROYQJUAYOO-UHFFFAOYSA-N -1 3 393.443 3.776 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436949087 852530788 /nfs/dbraw/zinc/53/07/88/852530788.db2.gz LKSCXBAOSPDFRF-QGZVFWFLSA-N -1 3 394.515 3.869 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000436950933 852539810 /nfs/dbraw/zinc/53/98/10/852539810.db2.gz QKLKKJDGYGJJCY-UHFFFAOYSA-N -1 3 376.909 3.596 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489693350 852550339 /nfs/dbraw/zinc/55/03/39/852550339.db2.gz VPVQCWKUGFNFQN-GWCFXTLKSA-N -1 3 399.406 3.596 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c([O-])c1 ZINC000436976792 852564140 /nfs/dbraw/zinc/56/41/40/852564140.db2.gz CZNIFRAHXBQQKJ-UHFFFAOYSA-N -1 3 396.487 3.624 20 0 GHADHM COc1cc(Br)c(Cc2noc(-c3ccccc3[O-])n2)cc1OC ZINC000436995327 852584439 /nfs/dbraw/zinc/58/44/39/852584439.db2.gz AVBVDICDPSQKOP-UHFFFAOYSA-N -1 3 391.221 3.813 20 0 GHADHM Cc1cc(NC(=O)c2c([O-])cccc2F)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436994525 852586871 /nfs/dbraw/zinc/58/68/71/852586871.db2.gz DJXFMBPPZGDTRZ-KRWDZBQOSA-N -1 3 394.450 3.736 20 0 GHADHM CC(C)(C)c1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000437001788 852596632 /nfs/dbraw/zinc/59/66/32/852596632.db2.gz PDBSHHFNYQDNKE-UHFFFAOYSA-N -1 3 380.488 3.724 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c1 ZINC000438617799 852633829 /nfs/dbraw/zinc/63/38/29/852633829.db2.gz GAJLIICAXSMGOE-AWEZNQCLSA-N -1 3 399.369 3.648 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)cs2)c(C)c1 ZINC000427090575 852706349 /nfs/dbraw/zinc/70/63/49/852706349.db2.gz YMRRCYQSCZTLOS-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)cs2)c(C)c1 ZINC000427090575 852706355 /nfs/dbraw/zinc/70/63/55/852706355.db2.gz YMRRCYQSCZTLOS-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427087387 852711640 /nfs/dbraw/zinc/71/16/40/852711640.db2.gz NZGLTFIDULKCNF-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427087387 852711648 /nfs/dbraw/zinc/71/16/48/852711648.db2.gz NZGLTFIDULKCNF-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(Cl)c1 ZINC000507317023 852775623 /nfs/dbraw/zinc/77/56/23/852775623.db2.gz VYTRNGTZMLZUMX-UHFFFAOYSA-N -1 3 388.811 3.637 20 0 GHADHM COc1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc(OC)c1[O-] ZINC000490136993 852786510 /nfs/dbraw/zinc/78/65/10/852786510.db2.gz SPUSKUBZWNFYEZ-UHFFFAOYSA-N -1 3 392.864 3.645 20 0 GHADHM CN(CCN(Cc1ccccc1)C(=O)c1ncccc1[O-])Cc1ccccc1 ZINC000427153977 852790501 /nfs/dbraw/zinc/79/05/01/852790501.db2.gz UQVBQQUBZSDEGR-UHFFFAOYSA-N -1 3 375.472 3.562 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000427216477 852873175 /nfs/dbraw/zinc/87/31/75/852873175.db2.gz DRFJOSYJUBPBQR-UHFFFAOYSA-N -1 3 393.770 3.735 20 0 GHADHM O=C([N-][C@H](c1ccccn1)C1CCC1)C(F)(F)c1ncccc1Br ZINC000913000847 852962678 /nfs/dbraw/zinc/96/26/78/852962678.db2.gz XKJFFVZKWSBLDG-AWEZNQCLSA-N -1 3 396.235 3.989 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000518170567 853010420 /nfs/dbraw/zinc/01/04/20/853010420.db2.gz WPHOJLLJTXSTNX-UHFFFAOYSA-N -1 3 394.863 3.671 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000490441449 853031416 /nfs/dbraw/zinc/03/14/16/853031416.db2.gz GJVCIYXRBHDSHS-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCc2cccc(F)c2)c1)C1CC1 ZINC000518185154 853049574 /nfs/dbraw/zinc/04/95/74/853049574.db2.gz LTYYXSCTUPUYJV-IBGZPJMESA-N -1 3 379.453 3.571 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C(C)(C)c2c(C)noc2C)[nH][n-]1 ZINC000437389365 853067749 /nfs/dbraw/zinc/06/77/49/853067749.db2.gz SMKKXZHKWHOMDU-UHFFFAOYSA-N -1 3 388.855 3.682 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)o1 ZINC000490521533 853070845 /nfs/dbraw/zinc/07/08/45/853070845.db2.gz PQEJCXXLRJYTET-UHFFFAOYSA-N -1 3 398.912 3.856 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000481864747 862426447 /nfs/dbraw/zinc/42/64/47/862426447.db2.gz HSKPGUIMXOJDKZ-UHFFFAOYSA-N -1 3 386.517 3.830 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC000481865911 862428089 /nfs/dbraw/zinc/42/80/89/862428089.db2.gz NAFAPAFRNYVFHS-UHFFFAOYSA-N -1 3 378.803 3.620 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Br ZINC000102195105 853167128 /nfs/dbraw/zinc/16/71/28/853167128.db2.gz CIJCQVREDVEVIZ-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000506062985 853216594 /nfs/dbraw/zinc/21/65/94/853216594.db2.gz GQXYDVPRLBSMHS-HXUWFJFHSA-N -1 3 394.446 3.573 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3csc(-c4cccs4)n3)nc21 ZINC000157788386 862452281 /nfs/dbraw/zinc/45/22/81/862452281.db2.gz WBARLLZKRIHEOP-UHFFFAOYSA-N -1 3 398.469 3.716 20 0 GHADHM O=C(NCc1ccc(C2CCC2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000519679786 853367200 /nfs/dbraw/zinc/36/72/00/853367200.db2.gz ODSAWEIBJGUISD-HXUWFJFHSA-N -1 3 378.472 3.581 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290699361 853449466 /nfs/dbraw/zinc/44/94/66/853449466.db2.gz NHRRHVJOLQOCSD-GOEBONIOSA-N -1 3 385.430 3.628 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccco1 ZINC000296299575 853505967 /nfs/dbraw/zinc/50/59/67/853505967.db2.gz NNMKEKVHRKCXJG-GUYCJALGSA-N -1 3 385.432 3.732 20 0 GHADHM C=CCOC(=O)c1sc2[n-]c(Cc3ccc4ccccc4n3)nc(=O)c2c1C ZINC000054753158 853512250 /nfs/dbraw/zinc/51/22/50/853512250.db2.gz ISEBSPPAPHHRQP-UHFFFAOYSA-N -1 3 391.452 3.775 20 0 GHADHM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc(CCc2ccccc2)ccc1[O-] ZINC000586749075 853519771 /nfs/dbraw/zinc/51/97/71/853519771.db2.gz JVNMBVFXCYQGHW-UHFFFAOYSA-N -1 3 388.423 3.761 20 0 GHADHM COc1ccccc1[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC1 ZINC000054893242 853592153 /nfs/dbraw/zinc/59/21/53/853592153.db2.gz BAUYVKDLZAABPP-VZMFNRANSA-N -1 3 383.448 3.955 20 0 GHADHM O=C([O-])C[C@@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000517326638 853674724 /nfs/dbraw/zinc/67/47/24/853674724.db2.gz DMCZWBZHXXRNDF-HNNXBMFYSA-N -1 3 381.398 3.637 20 0 GHADHM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000546073659 853695426 /nfs/dbraw/zinc/69/54/26/853695426.db2.gz UDFHCSSBDRSGHK-OAHLLOKOSA-N -1 3 391.489 3.626 20 0 GHADHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440990556 853809752 /nfs/dbraw/zinc/80/97/52/853809752.db2.gz VIMRBTALBNRZER-GFCCVEGCSA-N -1 3 390.427 3.687 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2csc(-c3ccco3)n2)cc1 ZINC000763988106 862504561 /nfs/dbraw/zinc/50/45/61/862504561.db2.gz RWKIXRGKQUJMHZ-UHFFFAOYSA-N -1 3 378.356 3.504 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1cccnc1C(F)(F)F ZINC000571450647 853880466 /nfs/dbraw/zinc/88/04/66/853880466.db2.gz SKMLJQHNHBCLJC-QMMMGPOBSA-N -1 3 382.816 3.781 20 0 GHADHM Cc1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)sc1Cc1cccc(F)c1 ZINC000571699757 853991977 /nfs/dbraw/zinc/99/19/77/853991977.db2.gz JNDYYSBJHZKMDC-UHFFFAOYSA-N -1 3 384.436 3.807 20 0 GHADHM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000055632102 854046359 /nfs/dbraw/zinc/04/63/59/854046359.db2.gz LYWNAQSPHUQXNQ-UHFFFAOYSA-N -1 3 390.339 3.564 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1ccc(Cl)cc1F ZINC000588173362 854198286 /nfs/dbraw/zinc/19/82/86/854198286.db2.gz HKSODZYXMVQLFB-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473905530 854230397 /nfs/dbraw/zinc/23/03/97/854230397.db2.gz XXQFFFQPFIVWSR-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473905530 854230401 /nfs/dbraw/zinc/23/04/01/854230401.db2.gz XXQFFFQPFIVWSR-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Cc2cncc3ccccc32)c([O-])c1 ZINC000498343290 854246946 /nfs/dbraw/zinc/24/69/46/854246946.db2.gz FZBOXONSRNEUKD-CQSZACIVSA-N -1 3 378.428 3.934 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3=O)c2)sc1Cl ZINC000473918630 854273440 /nfs/dbraw/zinc/27/34/40/854273440.db2.gz MALCHVMSQBHNOJ-LBPRGKRZSA-N -1 3 398.937 3.876 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3n2C)sc1Cl ZINC000473946039 854371509 /nfs/dbraw/zinc/37/15/09/854371509.db2.gz BNJZIHTVROAXAM-UHFFFAOYSA-N -1 3 383.926 3.810 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000588773364 854412190 /nfs/dbraw/zinc/41/21/90/854412190.db2.gz JXTAEJYVYVXWNG-IBGZPJMESA-N -1 3 389.459 3.876 20 0 GHADHM C[C@@H](N[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccn(C)n1 ZINC000623999214 862574244 /nfs/dbraw/zinc/57/42/44/862574244.db2.gz NRBGPZMSOUJNMN-JKSUJKDBSA-N -1 3 384.505 3.633 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000588864512 854556139 /nfs/dbraw/zinc/55/61/39/854556139.db2.gz VQWUJDDPSSLYRK-UHFFFAOYSA-N -1 3 378.469 3.745 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC001128002913 854599617 /nfs/dbraw/zinc/59/96/17/854599617.db2.gz SMKDLKAQABKVRL-UHFFFAOYSA-N -1 3 379.507 3.743 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC4CCCC4)nc3)nc2)n1 ZINC000068667778 854608698 /nfs/dbraw/zinc/60/86/98/854608698.db2.gz HDZAMYZCGPGJGE-UHFFFAOYSA-N -1 3 391.475 3.723 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112631408 854764088 /nfs/dbraw/zinc/76/40/88/854764088.db2.gz DYSFOYZVICCTER-CZUORRHYSA-N -1 3 383.245 3.577 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186305971 854872506 /nfs/dbraw/zinc/87/25/06/854872506.db2.gz QJKLARWVXPYCEZ-GOSISDBHSA-N -1 3 389.377 3.565 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccco1 ZINC000188835444 854938559 /nfs/dbraw/zinc/93/85/59/854938559.db2.gz UMLOMBYDTLZSKV-ZDUSSCGKSA-N -1 3 378.450 3.898 20 0 GHADHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000265703812 855047487 /nfs/dbraw/zinc/04/74/87/855047487.db2.gz FWVOXBRPVXGTHN-UHFFFAOYSA-N -1 3 393.491 3.988 20 0 GHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189251764 855063609 /nfs/dbraw/zinc/06/36/09/855063609.db2.gz UJSWKJAPRPXGMX-UHFFFAOYSA-N -1 3 388.865 3.753 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc([O-])cc3)n2)c(C)c1 ZINC000589684309 855106330 /nfs/dbraw/zinc/10/63/30/855106330.db2.gz JOHSJPUWCYCGBN-UHFFFAOYSA-N -1 3 381.457 3.501 20 0 GHADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CNC(=O)c3ccc([O-])cc3)c2)C1 ZINC000589692557 855110695 /nfs/dbraw/zinc/11/06/95/855110695.db2.gz AMUHCWQRJLQBPX-IERDGZPVSA-N -1 3 396.487 3.856 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1 ZINC000520473151 855168973 /nfs/dbraw/zinc/16/89/73/855168973.db2.gz HHOVPTKRVFCYJF-UHFFFAOYSA-N -1 3 385.445 3.777 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1 ZINC000055595391 855355534 /nfs/dbraw/zinc/35/55/34/855355534.db2.gz NXNAYSACYBNDOD-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000590609784 855507953 /nfs/dbraw/zinc/50/79/53/855507953.db2.gz JZXBJBQYAKFKRW-IBGZPJMESA-N -1 3 384.457 3.512 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(CSC4CC4)n3)n[n-]2)c1 ZINC000590778334 855579329 /nfs/dbraw/zinc/57/93/29/855579329.db2.gz DBDCJBLKRJXJAJ-UHFFFAOYSA-N -1 3 378.255 3.680 20 0 GHADHM COc1ccc([C@H](NCc2cccc(C(=O)OC(C)(C)C)c2)C(=O)[O-])cc1F ZINC000417561283 855587573 /nfs/dbraw/zinc/58/75/73/855587573.db2.gz ATEGOQCTSFMJAF-SFHVURJKSA-N -1 3 389.423 3.705 20 0 GHADHM Cc1cccc(C[C@H](CNCc2c(F)cccc2Br)C(=O)[O-])c1 ZINC000417575043 855646752 /nfs/dbraw/zinc/64/67/52/855646752.db2.gz XQTADUXMTFZCIF-CQSZACIVSA-N -1 3 380.257 3.930 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1noc(Cc2ccccc2)n1 ZINC000765855320 855755861 /nfs/dbraw/zinc/75/58/61/855755861.db2.gz CUPVEKRCZSKVMY-LBPRGKRZSA-N -1 3 375.350 3.769 20 0 GHADHM Cc1cc(C)c2c(c1)CN(C(=O)N=c1cc3ccc(Br)cn3[n-]1)CC2 ZINC000482113785 862716896 /nfs/dbraw/zinc/71/68/96/862716896.db2.gz MFRCGPBUALHHMN-UHFFFAOYSA-N -1 3 399.292 3.726 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000184066875 855926316 /nfs/dbraw/zinc/92/63/16/855926316.db2.gz WVNJYYPKTKQHRU-PZJWPPBQSA-N -1 3 393.483 3.583 20 0 GHADHM COCCc1nc2cc([N-]S(=O)(=O)Cc3ccccc3Cl)ccc2o1 ZINC000568747150 856010579 /nfs/dbraw/zinc/01/05/79/856010579.db2.gz UCKDWUULCRLMGY-UHFFFAOYSA-N -1 3 380.853 3.612 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485110614 856124296 /nfs/dbraw/zinc/12/42/96/856124296.db2.gz WOUQLXAGFOFLTG-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485110614 856124305 /nfs/dbraw/zinc/12/43/05/856124305.db2.gz WOUQLXAGFOFLTG-UHFFFAOYSA-N -1 3 384.399 3.964 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000591683104 856214792 /nfs/dbraw/zinc/21/47/92/856214792.db2.gz LTVIUMSFFCCKAR-UHFFFAOYSA-N -1 3 384.457 3.860 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(Cc2ccccc2F)n1 ZINC000605086574 862774921 /nfs/dbraw/zinc/77/49/21/862774921.db2.gz CJJDAPVCIZFEGN-UHFFFAOYSA-N -1 3 393.447 3.765 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(C)c1F ZINC000181155595 862775863 /nfs/dbraw/zinc/77/58/63/862775863.db2.gz HTUSDKLHSNLUBU-UHFFFAOYSA-N -1 3 376.409 3.907 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000033181455 856281858 /nfs/dbraw/zinc/28/18/58/856281858.db2.gz JMHJGJBJNFSGRC-HOCLYGCPSA-N -1 3 390.480 3.935 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1Cl ZINC001212169477 856304843 /nfs/dbraw/zinc/30/48/43/856304843.db2.gz HWUAPQMAFBFYNK-UHFFFAOYSA-N -1 3 380.775 3.664 20 0 GHADHM C[C@H]1c2ccccc2CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482181600 862781635 /nfs/dbraw/zinc/78/16/35/862781635.db2.gz DTTHLLZXXNAPFI-LBPRGKRZSA-N -1 3 385.265 3.670 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC001212436094 856327397 /nfs/dbraw/zinc/32/73/97/856327397.db2.gz WVJDSMZRHRVVPH-UHFFFAOYSA-N -1 3 391.386 3.980 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000485310949 856346659 /nfs/dbraw/zinc/34/66/59/856346659.db2.gz AKCXWNWRFGXZJD-JTQLQIEISA-N -1 3 381.274 3.952 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1C ZINC000485392683 856433985 /nfs/dbraw/zinc/43/39/85/856433985.db2.gz HJZBSUJWYIDWQP-UHFFFAOYSA-N -1 3 390.480 3.788 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)cn2)c1 ZINC000573695236 856477055 /nfs/dbraw/zinc/47/70/55/856477055.db2.gz FJJLBILWZNQEBI-UHFFFAOYSA-N -1 3 390.443 3.794 20 0 GHADHM Cc1nn(-c2ccc(C)cc2)cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905748731 856502718 /nfs/dbraw/zinc/50/27/18/856502718.db2.gz HZXNYDGPRNGHGS-HNNXBMFYSA-N -1 3 382.489 3.633 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)c(Cl)c3)ccc2O1 ZINC000592006928 856534881 /nfs/dbraw/zinc/53/48/81/856534881.db2.gz MODVTAGCLURFOP-LBPRGKRZSA-N -1 3 389.864 3.650 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ccc(C(F)F)c(F)c2)[n-]1 ZINC000895132840 856609305 /nfs/dbraw/zinc/60/93/05/856609305.db2.gz YXCRPHXVTAUDKB-AWEZNQCLSA-N -1 3 384.402 3.935 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000507952522 856712600 /nfs/dbraw/zinc/71/26/00/856712600.db2.gz RXNCUAPMBVOOBG-UHFFFAOYSA-N -1 3 394.468 3.552 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000110961147 856718411 /nfs/dbraw/zinc/71/84/11/856718411.db2.gz DRCQRMXAIHYHRH-AWEZNQCLSA-N -1 3 378.469 3.745 20 0 GHADHM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000672183497 856799981 /nfs/dbraw/zinc/79/99/81/856799981.db2.gz SRKBVJZUXUIPSX-PXAZEXFGSA-N -1 3 381.350 3.976 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000508020648 856820873 /nfs/dbraw/zinc/82/08/73/856820873.db2.gz AJOCCMCOJRRQBM-OAHLLOKOSA-N -1 3 391.411 3.991 20 0 GHADHM CCc1cccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC001212360080 856862950 /nfs/dbraw/zinc/86/29/50/856862950.db2.gz SDWLTNHICRAWMX-UHFFFAOYSA-N -1 3 389.702 3.538 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1 ZINC000007305827 856891827 /nfs/dbraw/zinc/89/18/27/856891827.db2.gz PWRMBXGBRVDPOA-VIFPVBQESA-N -1 3 376.222 3.767 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(C(C)=O)cc2F)c(C(=O)OCC)[n-]1 ZINC000485668231 856904183 /nfs/dbraw/zinc/90/41/83/856904183.db2.gz QXVBKMWJUTZGAV-UHFFFAOYSA-N -1 3 375.400 3.523 20 0 GHADHM O=C([N-]C1(Cc2ccc(F)cc2)CC1)C(F)(F)c1ncccc1Br ZINC001128923408 856967715 /nfs/dbraw/zinc/96/77/15/856967715.db2.gz HPEHXABMRFEAAI-UHFFFAOYSA-N -1 3 399.210 3.967 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3cc(Cl)c4c(c3)OCCCO4)no1)OCO2 ZINC000436999704 856967960 /nfs/dbraw/zinc/96/79/60/856967960.db2.gz MZNJOPOLMNWWCA-UHFFFAOYSA-N -1 3 388.763 3.653 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)c(=O)[n-]1 ZINC000428041313 857051198 /nfs/dbraw/zinc/05/11/98/857051198.db2.gz OXRADOSWFRRUMW-UHFFFAOYSA-N -1 3 391.874 3.762 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)cc1Cl ZINC000592821511 857102895 /nfs/dbraw/zinc/10/28/95/857102895.db2.gz NAWZYUWTFVYUKM-INIZCTEOSA-N -1 3 396.871 3.712 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1csc(-c2ccccc2)n1 ZINC000672333768 857161798 /nfs/dbraw/zinc/16/17/98/857161798.db2.gz JNCMLKXOPRZKBY-UHFFFAOYSA-N -1 3 391.456 3.927 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C12CCCCC2 ZINC000672389005 857233694 /nfs/dbraw/zinc/23/36/94/857233694.db2.gz GRBFXYNXOLEWGC-KBPBESRZSA-N -1 3 392.443 3.507 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@@H]1CCCCO1 ZINC000672390453 857235715 /nfs/dbraw/zinc/23/57/15/857235715.db2.gz SRGMZLWCBYNTGH-ZDUSSCGKSA-N -1 3 399.406 3.598 20 0 GHADHM O=C(OCc1c(F)cccc1Cl)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046333569 857304690 /nfs/dbraw/zinc/30/46/90/857304690.db2.gz AKHBEYVSOGIOTB-MRXNPFEDSA-N -1 3 377.799 3.533 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cs1 ZINC000107703758 857315888 /nfs/dbraw/zinc/31/58/88/857315888.db2.gz AJUTVSRUVKOOEW-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000171867767 862931163 /nfs/dbraw/zinc/93/11/63/862931163.db2.gz MXOSBOGYBWWUCB-SNVBAGLBSA-N -1 3 393.336 3.552 20 0 GHADHM O=C(CCc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000063803258 857661217 /nfs/dbraw/zinc/66/12/17/857661217.db2.gz KPQLCKJNGIXVAX-UHFFFAOYSA-N -1 3 386.879 3.856 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c([O-])c1 ZINC000063812267 857664138 /nfs/dbraw/zinc/66/41/38/857664138.db2.gz TZFMCOUMFQUNPB-UHFFFAOYSA-N -1 3 387.439 3.729 20 0 GHADHM Cc1ccc([C@H](CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC000907806444 857773221 /nfs/dbraw/zinc/77/32/21/857773221.db2.gz KZRUSYZXXBPKRA-ZFGGDYGUSA-N -1 3 392.499 3.507 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCOc3cccc(C)c3C)nc2)n1 ZINC000486481284 857779241 /nfs/dbraw/zinc/77/92/41/857779241.db2.gz UZYVDKSDDXZCRV-UHFFFAOYSA-N -1 3 378.476 3.726 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000676266548 857801386 /nfs/dbraw/zinc/80/13/86/857801386.db2.gz RLQQNNRDEHJEMR-UHFFFAOYSA-N -1 3 388.855 3.632 20 0 GHADHM CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000594021790 857840923 /nfs/dbraw/zinc/84/09/23/857840923.db2.gz PCJXEUSTAVERCN-SECBINFHSA-N -1 3 375.313 3.649 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486561441 857860607 /nfs/dbraw/zinc/86/06/07/857860607.db2.gz WNLXWPGSLWNXLH-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2)n1 ZINC000065857401 857866016 /nfs/dbraw/zinc/86/60/16/857866016.db2.gz SFQXNEFUBOEJES-UHFFFAOYSA-N -1 3 387.486 3.931 20 0 GHADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908196205 857988347 /nfs/dbraw/zinc/98/83/47/857988347.db2.gz VBFWVMKZZJYZQK-NSHDSACASA-N -1 3 379.382 3.782 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1OC ZINC000674072268 862976784 /nfs/dbraw/zinc/97/67/84/862976784.db2.gz CGSWZPULDNUWEN-UHFFFAOYSA-N -1 3 395.525 3.786 20 0 GHADHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)c(F)c1 ZINC000157988936 858072283 /nfs/dbraw/zinc/07/22/83/858072283.db2.gz SLQNQEUODGGTIV-UHFFFAOYSA-N -1 3 394.642 3.963 20 0 GHADHM O=S(=O)([N-][C@@H](c1nccs1)c1ccccc1)c1cnccc1C(F)(F)F ZINC000442744305 858105931 /nfs/dbraw/zinc/10/59/31/858105931.db2.gz MDEXPKKXEDSWEY-CQSZACIVSA-N -1 3 399.419 3.625 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1cnccc1C(F)(F)F ZINC000442754407 858113245 /nfs/dbraw/zinc/11/32/45/858113245.db2.gz WJMNHLCZTGTLAW-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(Cl)s1 ZINC000442774217 858114994 /nfs/dbraw/zinc/11/49/94/858114994.db2.gz ZXZOECCRHYRHPN-VIFPVBQESA-N -1 3 393.939 3.988 20 0 GHADHM O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1cnccc1C(F)(F)F ZINC000442908631 858233062 /nfs/dbraw/zinc/23/30/62/858233062.db2.gz PKIOSRCHNLRXOE-UHFFFAOYSA-N -1 3 396.390 3.611 20 0 GHADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000521689064 858247848 /nfs/dbraw/zinc/24/78/48/858247848.db2.gz HARBXHZGUKCIAW-MWLCHTKSSA-N -1 3 387.324 3.507 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1CC(=O)OC(C)(C)C)C1CCCC1 ZINC000594693984 858257366 /nfs/dbraw/zinc/25/73/66/858257366.db2.gz BDYMVAWGWSRMIT-SFHVURJKSA-N -1 3 397.537 3.518 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(I)cc2)[C@H]2CCCC[C@H]12 ZINC000594733739 858267508 /nfs/dbraw/zinc/26/75/08/858267508.db2.gz DRXDBIXBLBZWDE-OAGGEKHMSA-N -1 3 399.272 3.757 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(I)cc2)[C@H]2CCCC[C@@H]12 ZINC000594733740 858267563 /nfs/dbraw/zinc/26/75/63/858267563.db2.gz DRXDBIXBLBZWDE-XHSDSOJGSA-N -1 3 399.272 3.757 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@H](OC)C3CCCCC3)[n-]c(=O)c12 ZINC000594888277 858308766 /nfs/dbraw/zinc/30/87/66/858308766.db2.gz VPXUPOFXMJVHHK-AWEZNQCLSA-N -1 3 391.493 3.513 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000158109985 858312763 /nfs/dbraw/zinc/31/27/63/858312763.db2.gz JFSDDUWJWXQIJV-MWLCHTKSSA-N -1 3 380.318 3.845 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)c2ccccc21 ZINC000443029931 858320055 /nfs/dbraw/zinc/32/00/55/858320055.db2.gz RRVYWLMNDHICNQ-MRXNPFEDSA-N -1 3 391.464 3.703 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)C ZINC000443088182 858347431 /nfs/dbraw/zinc/34/74/31/858347431.db2.gz AQKGQAYFEFDXDO-QGZVFWFLSA-N -1 3 379.453 3.678 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)n1 ZINC000443104800 858363144 /nfs/dbraw/zinc/36/31/44/858363144.db2.gz AWYMJQLOHXYZBH-INIZCTEOSA-N -1 3 386.455 3.822 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc2ccccc21 ZINC000443113492 858397848 /nfs/dbraw/zinc/39/78/48/858397848.db2.gz YUMIHAZRTVFKKX-ZDUSSCGKSA-N -1 3 387.432 3.805 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2O)c1ccc(F)cc1C(F)(F)F ZINC000443210519 858478115 /nfs/dbraw/zinc/47/81/15/858478115.db2.gz IFPHJZIDVSPRMA-CYBMUJFWSA-N -1 3 375.343 3.516 20 0 GHADHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443310764 858552695 /nfs/dbraw/zinc/55/26/95/858552695.db2.gz PUPKQXOADYEEMU-BXUZGUMPSA-N -1 3 388.942 3.539 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3cnn(C(C)C)c3)cc2)cc(=O)[n-]1 ZINC000522134424 858653037 /nfs/dbraw/zinc/65/30/37/858653037.db2.gz HDHGGGAMSWEFDX-CYBMUJFWSA-N -1 3 380.452 3.818 20 0 GHADHM NC(=O)[C@H](Sc1nnc([N-]c2ccccc2F)s1)c1ccc(F)cc1 ZINC000010428199 858743517 /nfs/dbraw/zinc/74/35/17/858743517.db2.gz PCCYFABTDAWRFO-CYBMUJFWSA-N -1 3 378.429 3.879 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3nc(-c4cccs4)n[n-]3)ccc2c1 ZINC000059876880 858745370 /nfs/dbraw/zinc/74/53/70/858745370.db2.gz QAFCOSIUOAZWIS-LBPRGKRZSA-N -1 3 378.457 3.859 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)CCCC2 ZINC000443482440 858810278 /nfs/dbraw/zinc/81/02/78/858810278.db2.gz IJQHFGJDWUKFMQ-UHFFFAOYSA-N -1 3 396.306 3.512 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000482800829 858864087 /nfs/dbraw/zinc/86/40/87/858864087.db2.gz UTUNUQDFQBTKEZ-UHFFFAOYSA-N -1 3 391.381 3.795 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](Oc1cccc(C(C)C)c1)c1ccccc1 ZINC000522261888 858919369 /nfs/dbraw/zinc/91/93/69/858919369.db2.gz KYWUFNSNWLSVLE-RTWAWAEBSA-N -1 3 393.487 3.558 20 0 GHADHM CS[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(C)(C)C ZINC000543234366 858980181 /nfs/dbraw/zinc/98/01/81/858980181.db2.gz YOSOEONELSAZGI-ZDUSSCGKSA-N -1 3 375.332 3.732 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000543242973 859006756 /nfs/dbraw/zinc/00/67/56/859006756.db2.gz FAERNIFYUDADGG-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3cc(F)ccc3[O-])c(C(F)(F)F)c2)CC1 ZINC000094127208 859030018 /nfs/dbraw/zinc/03/00/18/859030018.db2.gz LBLXVKDOHWRGBH-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM C[C@@H](Sc1ncnn1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000185758345 859126191 /nfs/dbraw/zinc/12/61/91/859126191.db2.gz FVEXDWOMLLDLAM-MRVPVSSYSA-N -1 3 375.504 3.695 20 0 GHADHM CC1(C)Cc2nc(CN(CCC(=O)[O-])C3CCOCC3)sc2C(C)(C)C1 ZINC000923251891 859167064 /nfs/dbraw/zinc/16/70/64/859167064.db2.gz GOSBEFLPAPSENW-UHFFFAOYSA-N -1 3 380.554 3.849 20 0 GHADHM CCC[C@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000543302824 859203600 /nfs/dbraw/zinc/20/36/00/859203600.db2.gz WSZFEWUCRBJOHY-HNNXBMFYSA-N -1 3 382.386 3.850 20 0 GHADHM CCCCCOc1cc(C)ccc1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483195716 859206715 /nfs/dbraw/zinc/20/67/15/859206715.db2.gz ISAFYWBUFHFUHU-UHFFFAOYSA-N -1 3 399.417 3.700 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000543356002 859375083 /nfs/dbraw/zinc/37/50/83/859375083.db2.gz KNQNLWCHUFLUEW-GOSISDBHSA-N -1 3 382.851 3.733 20 0 GHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000117318413 859392472 /nfs/dbraw/zinc/39/24/72/859392472.db2.gz LCOBDYCFKOGREM-VXGBXAGGSA-N -1 3 395.322 3.695 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000626059300 859429619 /nfs/dbraw/zinc/42/96/19/859429619.db2.gz KHFIKLMCVXNMME-FQEVSTJZSA-N -1 3 388.467 3.888 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483540903 859437296 /nfs/dbraw/zinc/43/72/96/859437296.db2.gz HXXHIPMKILYIST-DOMZBBRYSA-N -1 3 381.402 3.815 20 0 GHADHM O=C([N-]NC(=O)c1c[nH]nc1-c1ccsc1)c1ccc(Cl)cc1Cl ZINC000187202005 859444198 /nfs/dbraw/zinc/44/41/98/859444198.db2.gz DKHOATJZHPQFMG-UHFFFAOYSA-N -1 3 381.244 3.520 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000483569044 859466311 /nfs/dbraw/zinc/46/63/11/859466311.db2.gz SJRMYFFAVMBUGQ-ZYHUDNBSSA-N -1 3 385.390 3.662 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000134648773 859492423 /nfs/dbraw/zinc/49/24/23/859492423.db2.gz DNCXMJGVJAHGAP-GFCCVEGCSA-N -1 3 381.391 3.615 20 0 GHADHM O=C([O-])[C@@H]1CN(CCOc2ccc(Br)cc2)Cc2ccccc21 ZINC000320718571 859505506 /nfs/dbraw/zinc/50/55/06/859505506.db2.gz AGBDCVYZDNOIQB-QGZVFWFLSA-N -1 3 376.250 3.512 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000474172876 859535797 /nfs/dbraw/zinc/53/57/97/859535797.db2.gz GGYKALMUUSFGDT-ZDUSSCGKSA-N -1 3 397.802 3.926 20 0 GHADHM CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000804240905 859544121 /nfs/dbraw/zinc/54/41/21/859544121.db2.gz IIPLTLBLDQWRLE-MRXNPFEDSA-N -1 3 398.459 3.925 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000499753664 859546913 /nfs/dbraw/zinc/54/69/13/859546913.db2.gz BGROKNQERAKIAK-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000499753664 859546923 /nfs/dbraw/zinc/54/69/23/859546923.db2.gz BGROKNQERAKIAK-SNVBAGLBSA-N -1 3 376.247 3.991 20 0 GHADHM Cc1nc([C@H]([N-]C(=O)C(F)(F)C2(O)CCCCC2)c2ccc(Cl)cc2)no1 ZINC000764646661 859552773 /nfs/dbraw/zinc/55/27/73/859552773.db2.gz DJFDIXALENLATC-CQSZACIVSA-N -1 3 399.825 3.568 20 0 GHADHM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Br)ccc2[O-])CC=CC1 ZINC000597441205 859553193 /nfs/dbraw/zinc/55/31/93/859553193.db2.gz FGMJGLKUZLIYNB-UHFFFAOYSA-N -1 3 382.254 3.771 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000474188022 859564505 /nfs/dbraw/zinc/56/45/05/859564505.db2.gz FULAXHQOFXBTTE-CQSZACIVSA-N -1 3 377.384 3.581 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])s2)o1 ZINC000673506059 859614996 /nfs/dbraw/zinc/61/49/96/859614996.db2.gz ZLEJTKQEAXTYQZ-OLZOCXBDSA-N -1 3 399.472 3.810 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502336 859620315 /nfs/dbraw/zinc/62/03/15/859620315.db2.gz ALBGPUXVXHJZRZ-LSDHHAIUSA-N -1 3 397.475 3.502 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000611287800 859683762 /nfs/dbraw/zinc/68/37/62/859683762.db2.gz MFAJASWSQMSJLT-SFHVURJKSA-N -1 3 397.471 3.687 20 0 GHADHM O=C([O-])CC[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000417592596 859700458 /nfs/dbraw/zinc/70/04/58/859700458.db2.gz FENQWBJHIMSBRG-OAHLLOKOSA-N -1 3 392.249 3.874 20 0 GHADHM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000765103512 859789103 /nfs/dbraw/zinc/78/91/03/859789103.db2.gz GAUDMHLOSXKBLN-HJWRWDBZSA-N -1 3 383.853 3.778 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C2SCCS2)cc1 ZINC000024886157 859849426 /nfs/dbraw/zinc/84/94/26/859849426.db2.gz IQPRWPSKBQPGHF-UHFFFAOYSA-N -1 3 394.543 3.789 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)N3CCc4ccccc43)cc2)n1 ZINC000654602914 859887323 /nfs/dbraw/zinc/88/73/23/859887323.db2.gz YKLLPJLUYDSVFD-INIZCTEOSA-N -1 3 388.471 3.525 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4cccc(Cl)c34)nc21 ZINC000484415693 859995967 /nfs/dbraw/zinc/99/59/67/859995967.db2.gz MZDRMKAMFAVMIB-UHFFFAOYSA-N -1 3 382.807 3.665 20 0 GHADHM CC(C)CN(Cc1ccccn1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000921524568 860009806 /nfs/dbraw/zinc/00/98/06/860009806.db2.gz FKCCFDIYMMOZHG-UHFFFAOYSA-N -1 3 392.297 3.918 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436537198 860020332 /nfs/dbraw/zinc/02/03/32/860020332.db2.gz GQCIENSDQHZFIJ-MUUNZHRXSA-N -1 3 395.436 3.681 20 0 GHADHM C[C@H](c1ccccc1)[C@H](NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000904022887 860034244 /nfs/dbraw/zinc/03/42/44/860034244.db2.gz DKDAUAHXKVDHIX-BMIGLBTASA-N -1 3 383.673 3.844 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@H]1CCCC[C@@H]1C ZINC000727320110 860045010 /nfs/dbraw/zinc/04/50/10/860045010.db2.gz JLLSXIQVSXAEMB-YOEHRIQHSA-N -1 3 384.517 3.553 20 0 GHADHM Cn1ccc([C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc2)n1 ZINC000499869247 860055494 /nfs/dbraw/zinc/05/54/94/860055494.db2.gz JDKYRXIRGBFKNE-QGZVFWFLSA-N -1 3 376.243 3.952 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H](CC(=O)[O-])C3CCCC3)cs2)cc1 ZINC000904040383 860058709 /nfs/dbraw/zinc/05/87/09/860058709.db2.gz CRYBHGHCLGTITC-SFHVURJKSA-N -1 3 390.505 3.854 20 0 GHADHM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1Cl)[C@@H](O)Cc1ccccc1 ZINC000904050257 860069390 /nfs/dbraw/zinc/06/93/90/860069390.db2.gz XZDHRXBKGWETLF-JKSUJKDBSA-N -1 3 387.785 3.505 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000436557673 860075975 /nfs/dbraw/zinc/07/59/75/860075975.db2.gz VEAYRHXOLDDXQR-UHFFFAOYSA-N -1 3 382.391 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GHADHM CCO[C@@H]1C[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCCCC2 ZINC000904219128 860240358 /nfs/dbraw/zinc/24/03/58/860240358.db2.gz UNHJWCUDMQPVLA-RBUKOAKNSA-N -1 3 390.524 3.798 20 0 GHADHM CCO[C@H]1C[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(CC)CC ZINC000904220249 860242222 /nfs/dbraw/zinc/24/22/22/860242222.db2.gz OOFUACPSMVMOCP-MSOLQXFVSA-N -1 3 378.513 3.654 20 0 GHADHM C[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1cccc(Cl)c1 ZINC000904220690 860243503 /nfs/dbraw/zinc/24/35/03/860243503.db2.gz UYXONIURSDFSCR-CQSZACIVSA-N -1 3 392.883 3.791 20 0 GHADHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1Cc2ccccc2C1 ZINC000602753883 860258703 /nfs/dbraw/zinc/25/87/03/860258703.db2.gz IHDHKUUOPBDDGA-UHFFFAOYSA-N -1 3 397.272 3.530 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1C ZINC000728016158 860353387 /nfs/dbraw/zinc/35/33/87/860353387.db2.gz JTLZYFVPBKZLCC-UHFFFAOYSA-N -1 3 392.496 3.697 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603042541 860454530 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860799542 /nfs/dbraw/zinc/79/95/42/860799542.db2.gz CYSLXGLYDXEYHT-UHFFFAOYSA-N -1 3 399.422 3.793 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1 ZINC000625064552 860804203 /nfs/dbraw/zinc/80/42/03/860804203.db2.gz HJKYYWMFWUJKIN-GFCCVEGCSA-N -1 3 387.452 3.789 20 0 GHADHM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)C[C@H](C)OC)cc1F ZINC000509074497 860818182 /nfs/dbraw/zinc/81/81/82/860818182.db2.gz JUUKTYHHWKEQCN-ZDUSSCGKSA-N -1 3 383.441 3.712 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)sc1Cl ZINC000481246712 860835024 /nfs/dbraw/zinc/83/50/24/860835024.db2.gz QEEMCIZGBANLQB-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000007338534 860846741 /nfs/dbraw/zinc/84/67/41/860846741.db2.gz HTVAFISUJDWEJN-NRFANRHFSA-N -1 3 375.424 3.649 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)c(Cl)cc2N1 ZINC000102747493 860846976 /nfs/dbraw/zinc/84/69/76/860846976.db2.gz KGSFGURZYNMKDI-UHFFFAOYSA-N -1 3 391.663 3.942 20 0 GHADHM CC(C)(C)c1noc(CCCC(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000176430034 860873139 /nfs/dbraw/zinc/87/31/39/860873139.db2.gz AEBCVGKFIPHGBT-UHFFFAOYSA-N -1 3 382.258 3.797 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OC)c(OCCOC)c1 ZINC000605494481 863113576 /nfs/dbraw/zinc/11/35/76/863113576.db2.gz RLERUXDSECKBGC-UHFFFAOYSA-N -1 3 393.505 3.646 20 0 GHADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000605522457 863133945 /nfs/dbraw/zinc/13/39/45/863133945.db2.gz VNYPOVPQZWMCNS-CHWSQXEVSA-N -1 3 393.484 3.509 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000733798847 863191812 /nfs/dbraw/zinc/19/18/12/863191812.db2.gz GMPHCNIQBSLSPD-FQEVSTJZSA-N -1 3 389.517 3.573 20 0 GHADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000444037872 863195763 /nfs/dbraw/zinc/19/57/63/863195763.db2.gz WSVPQZHKJIFOJS-UHFFFAOYSA-N -1 3 384.423 3.891 20 0 GHADHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000605613859 863196621 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O=C(NCc1ccc([O-])c(Br)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000532273574 881653038 /nfs/dbraw/zinc/65/30/38/881653038.db2.gz UNLPJFGBGFMIDC-UHFFFAOYSA-N -1 3 396.191 3.899 20 0 GHADHM CC(C)(C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000281845832 863416125 /nfs/dbraw/zinc/41/61/25/863416125.db2.gz XRTJCWLLODXQMY-UHFFFAOYSA-N -1 3 390.833 3.535 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c([O-])c1 ZINC000132716262 881665253 /nfs/dbraw/zinc/66/52/53/881665253.db2.gz SOXPCBVITLJLCL-UHFFFAOYSA-N -1 3 393.270 3.606 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(=O)[nH]c2ccc(F)cc21 ZINC000606351755 863532086 /nfs/dbraw/zinc/53/20/86/863532086.db2.gz QZMCITQASMWVLE-UHFFFAOYSA-N -1 3 377.169 3.800 20 0 GHADHM CC(C)Cc1ccc(C(=O)N[N-]C(=O)c2ccccc2Br)cc1 ZINC000007475770 863592115 /nfs/dbraw/zinc/59/21/15/863592115.db2.gz PQKXGRXSHJQISC-UHFFFAOYSA-N -1 3 375.266 3.722 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c(C)c1 ZINC000444187905 863638095 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GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cncc(Cl)c2)CC1 ZINC000621264188 863976719 /nfs/dbraw/zinc/97/67/19/863976719.db2.gz WEMGKODCWDCCDD-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM COC(=O)CCc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000159146623 864045607 /nfs/dbraw/zinc/04/56/07/864045607.db2.gz NGZYFZOUYAGIRZ-UHFFFAOYSA-N -1 3 391.836 3.809 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(C)C ZINC000554306678 864095204 /nfs/dbraw/zinc/09/52/04/864095204.db2.gz YDIGTSAIBRXGAF-MRXNPFEDSA-N -1 3 377.282 3.797 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C)[C@H]3C)c2)cc1 ZINC000480141137 864156902 /nfs/dbraw/zinc/15/69/02/864156902.db2.gz BQRROVABWSOXEM-NVXWUHKLSA-N -1 3 386.517 3.975 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000480183681 864214534 /nfs/dbraw/zinc/21/45/34/864214534.db2.gz PGXXZTFFSCHZDR-UHFFFAOYSA-N -1 3 395.500 3.853 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)C(C)(C)C ZINC000734498566 864254924 /nfs/dbraw/zinc/25/49/24/864254924.db2.gz PILPNIFTLNGYKN-SECBINFHSA-N -1 3 382.295 3.557 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000444325905 864338293 /nfs/dbraw/zinc/33/82/93/864338293.db2.gz YSQHROHWJDEEHL-UKRRQHHQSA-N -1 3 376.453 3.545 20 0 GHADHM Cc1oc2ccccc2c1C(=O)[N-]n1cnc2sc3c(c2c1=O)CCCC3 ZINC000184304096 864349086 /nfs/dbraw/zinc/34/90/86/864349086.db2.gz HTOPNJRGKAQKIV-UHFFFAOYSA-N -1 3 379.441 3.775 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)COc2c(Cl)cccc2Cl)[nH][n-]1 ZINC000621653556 864349357 /nfs/dbraw/zinc/34/93/57/864349357.db2.gz WNMUIVYBEPPLBM-UHFFFAOYSA-N -1 3 392.242 3.832 20 0 GHADHM COc1cc2c(cc1OC)CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000621720650 864380294 /nfs/dbraw/zinc/38/02/94/864380294.db2.gz IWEMCXCMTDESSR-UHFFFAOYSA-N -1 3 395.377 3.669 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000554525330 864503536 /nfs/dbraw/zinc/50/35/36/864503536.db2.gz RCTTXORTMQPPCM-MRXNPFEDSA-N -1 3 385.265 3.888 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C)cc2)cc1Cl ZINC000104736982 864588049 /nfs/dbraw/zinc/58/80/49/864588049.db2.gz BPTHDDUABFLVLM-NSHDSACASA-N -1 3 384.860 3.785 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cncc(F)c3)cc2)cc1 ZINC000164065772 864590206 /nfs/dbraw/zinc/59/02/06/864590206.db2.gz YKLXEHAIFLHKPA-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3occc3Br)c2)n1 ZINC000751848414 864683605 /nfs/dbraw/zinc/68/36/05/864683605.db2.gz NAXWGNHEWJXOLI-UHFFFAOYSA-N -1 3 375.178 3.732 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000554698159 864737939 /nfs/dbraw/zinc/73/79/39/864737939.db2.gz KQDPUKHXYIZBGC-OAQYLSRUSA-N -1 3 394.496 3.794 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000622070080 864739862 /nfs/dbraw/zinc/73/98/62/864739862.db2.gz HMIFNQPPUDLIHR-HUUCEWRRSA-N -1 3 376.378 3.619 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3nnc(C(C)(C)C)s3)cc2)cc(=O)[n-]1 ZINC000532327107 881800011 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382.309 3.700 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@H]3CCCC[C@H]3C)c2-c2nnn[n-]2)C1 ZINC000736280209 865170469 /nfs/dbraw/zinc/17/04/69/865170469.db2.gz OMQWXNLVHAHZNG-BZPMIXESSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@H]3CCCC[C@H]3C)c2-c2nn[n-]n2)C1 ZINC000736280209 865170473 /nfs/dbraw/zinc/17/04/73/865170473.db2.gz OMQWXNLVHAHZNG-BZPMIXESSA-N -1 3 389.525 3.587 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000763751131 865244788 /nfs/dbraw/zinc/24/47/88/865244788.db2.gz JLJZVJRBGDUNBB-HNNXBMFYSA-N -1 3 391.851 3.746 20 0 GHADHM CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736651931 865257641 /nfs/dbraw/zinc/25/76/41/865257641.db2.gz SXTZHIPHPGKGLN-CYBMUJFWSA-N -1 3 392.463 3.593 20 0 GHADHM CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736651931 865257652 /nfs/dbraw/zinc/25/76/52/865257652.db2.gz SXTZHIPHPGKGLN-CYBMUJFWSA-N -1 3 392.463 3.593 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000480775444 865275483 /nfs/dbraw/zinc/27/54/83/865275483.db2.gz CAHFCKBWARSZJX-UHFFFAOYSA-N -1 3 394.802 3.931 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1csc(S(N)(=O)=O)c1 ZINC000171535593 865280912 /nfs/dbraw/zinc/28/09/12/865280912.db2.gz VOKRKLYEDMOVCV-UHFFFAOYSA-N -1 3 390.939 3.802 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(-n4cccn4)ccn3)nc(=O)c2c1C ZINC000736848526 865301291 /nfs/dbraw/zinc/30/12/91/865301291.db2.gz RWVNQYQMZOBECY-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cc(OC)ccc3OC)nc2)n1 ZINC000301534783 865409709 /nfs/dbraw/zinc/40/97/09/865409709.db2.gz QMGSTNSCCDVQRE-CYBMUJFWSA-N -1 3 380.448 3.997 20 0 GHADHM COC(=O)c1cnc(SCc2ncc(-c3ccc(Br)cc3)o2)[n-]1 ZINC000193541243 881875422 /nfs/dbraw/zinc/87/54/22/881875422.db2.gz XEYWMKNMRLGYSY-UHFFFAOYSA-N -1 3 394.250 3.906 20 0 GHADHM Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000480898700 865485096 /nfs/dbraw/zinc/48/50/96/865485096.db2.gz ITFMNURFGBZOJR-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000738362096 865546720 /nfs/dbraw/zinc/54/67/20/865546720.db2.gz XIQFVEHMGJSRMM-CQSZACIVSA-N -1 3 382.913 3.822 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)nc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000738511379 865567566 /nfs/dbraw/zinc/56/75/66/865567566.db2.gz ZOMDMRVACBVZDF-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C)CCC(C)CC2)cc1Cl ZINC000480952563 865595596 /nfs/dbraw/zinc/59/55/96/865595596.db2.gz JQCKBPNCOXNTJI-UHFFFAOYSA-N -1 3 390.908 3.932 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000608694137 865597348 /nfs/dbraw/zinc/59/73/48/865597348.db2.gz VNSWOVGWBLWJNC-UHFFFAOYSA-N -1 3 386.423 3.914 20 0 GHADHM CC(C)(C)n1ncc2c1ncnc2NCc1ccc([O-])c(Br)c1 ZINC000301936159 865615861 /nfs/dbraw/zinc/61/58/61/865615861.db2.gz RHHKMUMPFLZGSO-UHFFFAOYSA-N -1 3 376.258 3.662 20 0 GHADHM C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000738741828 865620490 /nfs/dbraw/zinc/62/04/90/865620490.db2.gz JYLMQZGZXTYTCG-NSHDSACASA-N -1 3 399.390 3.760 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000172668337 865671852 /nfs/dbraw/zinc/67/18/52/865671852.db2.gz VMSMSGQCBHTCEN-NXEZZACHSA-N -1 3 376.881 3.541 20 0 GHADHM CC(=O)N[C@H](CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc(C)cc1 ZINC000622892610 865705235 /nfs/dbraw/zinc/70/52/35/865705235.db2.gz ZGVRJYJRBHJBSC-GOSISDBHSA-N -1 3 396.878 3.666 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2cccs2)CCCCC1 ZINC000739978000 865819144 /nfs/dbraw/zinc/81/91/44/865819144.db2.gz XTPYKVGDECNBLL-UHFFFAOYSA-N -1 3 387.958 3.624 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc([N+](=O)[O-])c(C)s3)nc(=O)c2c1C ZINC000031009073 866040350 /nfs/dbraw/zinc/04/03/50/866040350.db2.gz DBSDPYQYGAXRRQ-SSDOTTSWSA-N -1 3 393.446 3.798 20 0 GHADHM CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000023154054 866045732 /nfs/dbraw/zinc/04/57/32/866045732.db2.gz ZSWCTJWVDWPZOK-UHFFFAOYSA-N -1 3 376.478 3.933 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000175922592 866061681 /nfs/dbraw/zinc/06/16/81/866061681.db2.gz DEPMGLJHZLNCAA-HOTGVXAUSA-N -1 3 388.464 3.920 20 0 GHADHM CCOC([O-])=NC(=S)Nc1ncccc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168069795 866182332 /nfs/dbraw/zinc/18/23/32/866182332.db2.gz JDKXRIXJTJRSPW-XHDPSFHLSA-N -1 3 392.431 3.771 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1ncccc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168069795 866182336 /nfs/dbraw/zinc/18/23/36/866182336.db2.gz JDKXRIXJTJRSPW-XHDPSFHLSA-N -1 3 392.431 3.771 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000133113907 881963132 /nfs/dbraw/zinc/96/31/32/881963132.db2.gz QTACHKFURYKSJX-GFCCVEGCSA-N -1 3 397.233 3.507 20 0 GHADHM CCSc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000071018824 866322713 /nfs/dbraw/zinc/32/27/13/866322713.db2.gz DJQOZKLKUZVQOP-UHFFFAOYSA-N -1 3 394.493 3.631 20 0 GHADHM CC1(C)C[C@]1(C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000620076316 866350306 /nfs/dbraw/zinc/35/03/06/866350306.db2.gz NXSKSUUEEHKROR-INIZCTEOSA-N -1 3 383.673 3.862 20 0 GHADHM CC1(C)C[C@]1(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000620084476 866366195 /nfs/dbraw/zinc/36/61/95/866366195.db2.gz AWTXPQSRVXAOMJ-IBGZPJMESA-N -1 3 376.453 3.545 20 0 GHADHM CC1(C)C[C@]1(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000620085678 866367838 /nfs/dbraw/zinc/36/78/38/866367838.db2.gz VOLSGEAIJBNQDW-IBGZPJMESA-N -1 3 376.453 3.545 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000741369988 866470312 /nfs/dbraw/zinc/47/03/12/866470312.db2.gz KLBXYTDMWIRODY-UHFFFAOYSA-N -1 3 389.498 3.920 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000620239651 866583722 /nfs/dbraw/zinc/58/37/22/866583722.db2.gz XKFLEGJVGFOOFU-LBPRGKRZSA-N -1 3 398.290 3.558 20 0 GHADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000032659214 866698682 /nfs/dbraw/zinc/69/86/82/866698682.db2.gz YXRUXTCJODKCLG-OIBJUYFYSA-N -1 3 388.695 3.754 20 0 GHADHM CCSCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000456505862 866703254 /nfs/dbraw/zinc/70/32/54/866703254.db2.gz VOEIPLKYTLOCTN-GOSISDBHSA-N -1 3 384.501 3.889 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cccc(Br)n2)[n-]c1-c1ccccc1 ZINC000793193860 882007449 /nfs/dbraw/zinc/00/74/49/882007449.db2.gz SSNCBGXLEYQABX-UHFFFAOYSA-N -1 3 392.278 3.517 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(Br)n2)nc1-c1ccccc1 ZINC000793193860 882007466 /nfs/dbraw/zinc/00/74/66/882007466.db2.gz SSNCBGXLEYQABX-UHFFFAOYSA-N -1 3 392.278 3.517 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1CC ZINC000534498142 866894950 /nfs/dbraw/zinc/89/49/50/866894950.db2.gz PEUNBCYJOAAXSG-UHFFFAOYSA-N -1 3 386.517 3.911 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccsc1 ZINC000153577071 866964712 /nfs/dbraw/zinc/96/47/12/866964712.db2.gz SXNFFXXTFYLCMA-OAHLLOKOSA-N -1 3 382.913 3.929 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1OC ZINC000151251075 867115463 /nfs/dbraw/zinc/11/54/63/867115463.db2.gz JNBQLUONTBULGT-DLBZAZTESA-N -1 3 388.489 3.507 20 0 GHADHM Cc1noc2ncc([N-]S(=O)(=O)/C=C/c3ccc(Br)cc3)cc12 ZINC000742231060 867146808 /nfs/dbraw/zinc/14/68/08/867146808.db2.gz JQLXLWGSMCGUHQ-VOTSOKGWSA-N -1 3 394.250 3.706 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479140473 867261722 /nfs/dbraw/zinc/26/17/22/867261722.db2.gz CYFIOJDIUZVECX-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(OCC)cc2)c([O-])c1 ZINC000534828609 867555341 /nfs/dbraw/zinc/55/53/41/867555341.db2.gz AYLUHPPWWCOELL-UHFFFAOYSA-N -1 3 385.416 3.569 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1nccs1 ZINC000553501342 867582851 /nfs/dbraw/zinc/58/28/51/867582851.db2.gz MMSVGKFYPLDOOC-CYBMUJFWSA-N -1 3 398.403 3.785 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1cccc(C)c1C ZINC000553524062 867619803 /nfs/dbraw/zinc/61/98/03/867619803.db2.gz ZJJODFWOUCFGGI-KRWDZBQOSA-N -1 3 397.443 3.824 20 0 GHADHM CN(C)S(=O)(=O)[N-]c1c(Oc2ccc(Cl)cc2)ccc2ncccc21 ZINC000479378890 867656768 /nfs/dbraw/zinc/65/67/68/867656768.db2.gz RAAOLSYNHQIYOB-UHFFFAOYSA-N -1 3 377.853 3.899 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C)c(Cl)cc1Cl ZINC000920462850 882117960 /nfs/dbraw/zinc/11/79/60/882117960.db2.gz FWFQSSOCDFASDE-GHMZBOCLSA-N -1 3 393.336 3.695 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)n[n-]2)o1 ZINC000479469502 867863513 /nfs/dbraw/zinc/86/35/13/867863513.db2.gz GWFPGITYQZEEDY-UHFFFAOYSA-N -1 3 378.432 3.854 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1Cl ZINC000523736469 867871673 /nfs/dbraw/zinc/87/16/73/867871673.db2.gz GKHSZMVPLURCCE-CYBMUJFWSA-N -1 3 385.316 3.941 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000156364041 868339810 /nfs/dbraw/zinc/33/98/10/868339810.db2.gz OXMTYHWAYTXZPG-ZDUSSCGKSA-N -1 3 391.470 3.637 20 0 GHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 ZINC000553857376 868340990 /nfs/dbraw/zinc/34/09/90/868340990.db2.gz DMSPACNSKOFDSJ-QMMMGPOBSA-N -1 3 398.403 3.571 20 0 GHADHM O=C([N-]c1ccncc1F)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000156468166 868374531 /nfs/dbraw/zinc/37/45/31/868374531.db2.gz BARYCDUNDKIEBS-UHFFFAOYSA-N -1 3 383.383 3.921 20 0 GHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183854851 868442763 /nfs/dbraw/zinc/44/27/63/868442763.db2.gz VAPZUQYCABWVID-UHFFFAOYSA-N -1 3 391.374 3.924 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c([O-])c1 ZINC000059799733 882200992 /nfs/dbraw/zinc/20/09/92/882200992.db2.gz JAOJGJBIHVWETC-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2sc3ccccc3c2Cl)n[nH]1 ZINC000649877709 868660814 /nfs/dbraw/zinc/66/08/14/868660814.db2.gz UBIUNQAKKIGBOQ-VIFPVBQESA-N -1 3 384.914 3.836 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccn3Cc3ccncc3)c2)n1 ZINC000744216923 868671378 /nfs/dbraw/zinc/67/13/78/868671378.db2.gz JLPWHKJFRTYHQB-UHFFFAOYSA-N -1 3 386.411 3.622 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc4c(cnn4C(C)C)c3)c2)n1 ZINC000744218195 868674394 /nfs/dbraw/zinc/67/43/94/868674394.db2.gz KHGFNPWEBDSDOZ-UHFFFAOYSA-N -1 3 389.415 3.702 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)COc3ccc(F)cc3Cl)c2)n1 ZINC000744218748 868674469 /nfs/dbraw/zinc/67/44/69/868674469.db2.gz ZEECBHMZYKDUPD-UHFFFAOYSA-N -1 3 388.782 3.935 20 0 GHADHM Cc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)nn1-c1ccccc1 ZINC000744219461 868675534 /nfs/dbraw/zinc/67/55/34/868675534.db2.gz SPXBSVLWRRPSDM-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000648433101 882222217 /nfs/dbraw/zinc/22/22/17/882222217.db2.gz SIBDSCZHWKFLPB-RKDXNWHRSA-N -1 3 379.716 3.541 20 0 GHADHM CC(C)(c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1)c1cccc(F)c1 ZINC000445620641 868758203 /nfs/dbraw/zinc/75/82/03/868758203.db2.gz JZWHVKZYWABIRB-UHFFFAOYSA-N -1 3 375.425 3.573 20 0 GHADHM Cc1cscc1-c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000445632744 868784997 /nfs/dbraw/zinc/78/49/97/868784997.db2.gz NNWVRHGIPRPNLV-UHFFFAOYSA-N -1 3 393.490 3.836 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3c(C)nn(C)c3Cl)n2)cc1 ZINC000744379195 868796525 /nfs/dbraw/zinc/79/65/25/868796525.db2.gz LGTOQFVXTYJUIC-UHFFFAOYSA-N -1 3 379.898 3.875 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000524290698 868836312 /nfs/dbraw/zinc/83/63/12/868836312.db2.gz MIIPEGUOVWLBDF-LPHOPBHVSA-N -1 3 382.508 3.548 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000621171569 868862146 /nfs/dbraw/zinc/86/21/46/868862146.db2.gz TWULCBGDSSAMMD-IBGZPJMESA-N -1 3 381.382 3.569 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2cnc3ccccc32)cc1Cl)c1ccco1 ZINC000445735921 868937763 /nfs/dbraw/zinc/93/77/63/868937763.db2.gz VRTAPMQTIHLMQR-UHFFFAOYSA-N -1 3 387.848 3.750 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC000557788796 868974440 /nfs/dbraw/zinc/97/44/40/868974440.db2.gz OEKLYNDTJFAHTH-UHFFFAOYSA-N -1 3 399.406 3.600 20 0 GHADHM Cc1nc(CC2CC2)sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000190726821 882255897 /nfs/dbraw/zinc/25/58/97/882255897.db2.gz NJFZFSPQDMEPDA-UHFFFAOYSA-N -1 3 381.295 3.802 20 0 GHADHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC000857451712 882271880 /nfs/dbraw/zinc/27/18/80/882271880.db2.gz GSYSRNFDQJSROM-AWEZNQCLSA-N -1 3 393.261 3.848 20 0 GHADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(C(N)=O)cn2)cc1 ZINC000445952250 869214265 /nfs/dbraw/zinc/21/42/65/869214265.db2.gz IGIGEELSLSDVBV-UHFFFAOYSA-N -1 3 399.406 3.718 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCn2c(cc3ccccc32)C1 ZINC000640298358 882281287 /nfs/dbraw/zinc/28/12/87/882281287.db2.gz NCJNZUWPAZUSGQ-UHFFFAOYSA-N -1 3 397.788 3.523 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1sc(C)cc1Br)c1nccs1 ZINC000462349169 869275879 /nfs/dbraw/zinc/27/58/79/869275879.db2.gz QTDFCAKARPIWGJ-GFCCVEGCSA-N -1 3 395.369 3.879 20 0 GHADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000462351837 869280758 /nfs/dbraw/zinc/28/07/58/869280758.db2.gz GSYJBBLJUXFJCQ-UHFFFAOYSA-N -1 3 395.369 3.798 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cc(Br)c(C)nc3OC)no2)c1 ZINC000446016286 869292207 /nfs/dbraw/zinc/29/22/07/869292207.db2.gz PZAFLUJYMMUOBZ-UHFFFAOYSA-N -1 3 392.209 3.592 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1F ZINC000462380790 869328131 /nfs/dbraw/zinc/32/81/31/869328131.db2.gz QYVFZRZCPWKYQW-CQSZACIVSA-N -1 3 392.496 3.995 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c([O-])c1 ZINC000857473355 882287087 /nfs/dbraw/zinc/28/70/87/882287087.db2.gz NABJAXKTTAQGME-UHFFFAOYSA-N -1 3 382.460 3.610 20 0 GHADHM Clc1ccc(-c2nnc(SCc3ccccc3-c3nnn[n-]3)o2)s1 ZINC000737565760 869357813 /nfs/dbraw/zinc/35/78/13/869357813.db2.gz QLENXNBSVGYYLE-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1ccc(-c2nnc(SCc3ccccc3-c3nn[n-]n3)o2)s1 ZINC000737565760 869357825 /nfs/dbraw/zinc/35/78/25/869357825.db2.gz QLENXNBSVGYYLE-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)on1 ZINC000462396020 869361847 /nfs/dbraw/zinc/36/18/47/869361847.db2.gz JILFGJDSACCNFF-UHFFFAOYSA-N -1 3 392.399 3.955 20 0 GHADHM COC(=O)N1CCC([C@@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000857491403 882296595 /nfs/dbraw/zinc/29/65/95/882296595.db2.gz UVMRLAGRLDZOOP-MRXNPFEDSA-N -1 3 396.487 3.580 20 0 GHADHM Cc1ccc(CSCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462467283 869506683 /nfs/dbraw/zinc/50/66/83/869506683.db2.gz ZIWPDEJRCAEGIP-UHFFFAOYSA-N -1 3 375.437 3.624 20 0 GHADHM CCC(C)(C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462480766 869540416 /nfs/dbraw/zinc/54/04/16/869540416.db2.gz SBYDQHRTPPBWFF-UHFFFAOYSA-N -1 3 399.148 3.987 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]2CCCO[C@@H]21 ZINC000462497195 869563914 /nfs/dbraw/zinc/56/39/14/869563914.db2.gz WFVWIQRNVKXSFD-HONMWMINSA-N -1 3 397.846 3.841 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)s1 ZINC000462515583 869591795 /nfs/dbraw/zinc/59/17/95/869591795.db2.gz XIVUTKYFRDBURJ-CYBMUJFWSA-N -1 3 390.299 3.924 20 0 GHADHM O=S(=O)([N-][C@H]1COc2c1ccc(Cl)c2Cl)c1cc(F)c(F)c(F)c1 ZINC000462623301 869782755 /nfs/dbraw/zinc/78/27/55/869782755.db2.gz VHZZSKZEAOZDLI-NSHDSACASA-N -1 3 398.189 3.823 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1cccc(F)c1 ZINC000462698965 869912635 /nfs/dbraw/zinc/91/26/35/869912635.db2.gz DHGSKNYHWOILQI-SNVBAGLBSA-N -1 3 395.349 3.729 20 0 GHADHM COCCOCc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1F ZINC000525161088 870092665 /nfs/dbraw/zinc/09/26/65/870092665.db2.gz AJWUQZUDISGKBH-UHFFFAOYSA-N -1 3 398.228 3.709 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c([O-])c1 ZINC000539971705 870133229 /nfs/dbraw/zinc/13/32/29/870133229.db2.gz JPLOCKLQBBKWPX-UHFFFAOYSA-N -1 3 393.399 3.749 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)Nc2ccc(OC(F)F)c(Cl)c2)on1 ZINC001192291247 870268535 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O=S(=O)([N-]Cc1c(Cl)oc2ccccc21)c1cccnc1C(F)(F)F ZINC001192536484 870496653 /nfs/dbraw/zinc/49/66/53/870496653.db2.gz WSKYXXGIMLCZHF-UHFFFAOYSA-N -1 3 390.770 3.979 20 0 GHADHM C[C@@H]1SCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@H]1C ZINC000248576609 870508605 /nfs/dbraw/zinc/50/86/05/870508605.db2.gz PJBPPKVBHBSNQM-TWOQFEAHSA-N -1 3 398.528 3.606 20 0 GHADHM O=C(Nc1cnn(-c2ccccn2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000538759973 870531499 /nfs/dbraw/zinc/53/14/99/870531499.db2.gz IGBSLRVRVVCPHV-UHFFFAOYSA-N -1 3 386.411 3.804 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCC(C)(C)C1 ZINC001192697787 870605150 /nfs/dbraw/zinc/60/51/50/870605150.db2.gz UJAKBUVIYHNMHV-MRXNPFEDSA-N -1 3 394.320 3.784 20 0 GHADHM CN(C)Cc1cccc(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)c1 ZINC000737953104 870712316 /nfs/dbraw/zinc/71/23/16/870712316.db2.gz BQOBBBOVLKVNLN-JOCHJYFZSA-N -1 3 394.515 3.859 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738146633 870770870 /nfs/dbraw/zinc/77/08/70/870770870.db2.gz YWOABFLNGZTVPY-NEPJUHHUSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738146633 870770878 /nfs/dbraw/zinc/77/08/78/870770878.db2.gz YWOABFLNGZTVPY-NEPJUHHUSA-N -1 3 375.766 3.541 20 0 GHADHM CC1(C)CCC(O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001192923175 870789109 /nfs/dbraw/zinc/78/91/09/870789109.db2.gz QKDZELLUOXHQQR-UHFFFAOYSA-N -1 3 399.862 3.968 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)c1 ZINC001193180634 870956278 /nfs/dbraw/zinc/95/62/78/870956278.db2.gz URRXPXGMRQBWBV-INIZCTEOSA-N -1 3 397.855 3.622 20 0 GHADHM CCOC(=O)C(CC)(CC)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001193305032 871013551 /nfs/dbraw/zinc/01/35/51/871013551.db2.gz CEROTPBLFFTULQ-UHFFFAOYSA-N -1 3 382.309 3.641 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2Cl)c(Cl)c1 ZINC001193318629 871019831 /nfs/dbraw/zinc/01/98/31/871019831.db2.gz YNIMIZUNUVZRGJ-UHFFFAOYSA-N -1 3 394.667 3.801 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(Br)[nH]2)c([O-])c1 ZINC001193338122 871028986 /nfs/dbraw/zinc/02/89/86/871028986.db2.gz GSCQEJGZRVDZQN-UHFFFAOYSA-N -1 3 381.226 3.690 20 0 GHADHM COc1ccc(-c2ccccc2NC(=O)c2cccc(OCCO)c2[O-])cc1 ZINC001193345330 871033025 /nfs/dbraw/zinc/03/30/25/871033025.db2.gz WSNWCYJGEGKPKP-UHFFFAOYSA-N -1 3 379.412 3.691 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000509641591 871054010 /nfs/dbraw/zinc/05/40/10/871054010.db2.gz YAPRIJADAXIJJR-CABCVRRESA-N -1 3 379.382 3.942 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(C)C ZINC001193386835 871072400 /nfs/dbraw/zinc/07/24/00/871072400.db2.gz ZTBVBBZNGSQFTM-GOSISDBHSA-N -1 3 379.453 3.596 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2csc(C)c2C)cc1Cl ZINC001193444422 871089591 /nfs/dbraw/zinc/08/95/91/871089591.db2.gz KBWUYTNCGUKSIB-UHFFFAOYSA-N -1 3 390.889 3.594 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)ccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000775594828 871103661 /nfs/dbraw/zinc/10/36/61/871103661.db2.gz JBTCQJQVTXQYKN-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM Cc1ccc(C)c(C(=O)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC001193658775 871218838 /nfs/dbraw/zinc/21/88/38/871218838.db2.gz CUVJFZPCMYMLNJ-UHFFFAOYSA-N -1 3 386.498 3.588 20 0 GHADHM Nc1c(F)cnc(Br)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193734116 871251341 /nfs/dbraw/zinc/25/13/41/871251341.db2.gz RFROEJOPXKGSSB-UHFFFAOYSA-N -1 3 394.122 3.542 20 0 GHADHM O=C(Nc1cnc(-c2ccc(O)cc2)nc1)c1ccc([O-])cc1C(F)(F)F ZINC001193735555 871251932 /nfs/dbraw/zinc/25/19/32/871251932.db2.gz PWISXAWWXNKOFZ-UHFFFAOYSA-N -1 3 375.306 3.826 20 0 GHADHM Cc1nc(NC(=O)c2ccc([O-])cc2C(F)(F)F)nc(C)c1Br ZINC001193734523 871255840 /nfs/dbraw/zinc/25/58/40/871255840.db2.gz VGDVNAZPZDMLCG-UHFFFAOYSA-N -1 3 390.159 3.833 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1CCO)c1ccc([O-])cc1C(F)(F)F ZINC001193734634 871255944 /nfs/dbraw/zinc/25/59/44/871255944.db2.gz XKHKDZRITFIJMR-UHFFFAOYSA-N -1 3 391.349 3.519 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCn2cc(-c3ccccc3)nc2C1 ZINC001193745043 871263050 /nfs/dbraw/zinc/26/30/50/871263050.db2.gz CDVXDZVEECSTGV-UHFFFAOYSA-N -1 3 387.361 3.931 20 0 GHADHM CN1CCC(N(Cc2ccc(F)cc2)C(=O)c2ccc(F)c([O-])c2F)CC1 ZINC001193783439 871278831 /nfs/dbraw/zinc/27/88/31/871278831.db2.gz AZZUYDYETZOIPU-UHFFFAOYSA-N -1 3 378.394 3.546 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1 ZINC001193796651 871311158 /nfs/dbraw/zinc/31/11/58/871311158.db2.gz VWJWMVLDNGWKOK-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC001193800219 871316112 /nfs/dbraw/zinc/31/61/12/871316112.db2.gz KKJKFVJJZLVLLV-CMPLNLGQSA-N -1 3 383.819 3.772 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(O)cc2Br)c2ccccc12 ZINC001193834923 871335276 /nfs/dbraw/zinc/33/52/76/871335276.db2.gz WBWGVUZBFXWERJ-UHFFFAOYSA-N -1 3 393.262 3.812 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(Br)c(F)c2)n1 ZINC001193888275 871345759 /nfs/dbraw/zinc/34/57/59/871345759.db2.gz DGZSYBLUQVJSDB-HNNXBMFYSA-N -1 3 380.261 3.983 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001193936341 871380336 /nfs/dbraw/zinc/38/03/36/871380336.db2.gz MXUBHRHBUNUCKZ-CQSZACIVSA-N -1 3 379.378 3.885 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000525753927 871388847 /nfs/dbraw/zinc/38/88/47/871388847.db2.gz YFECIJZUZLMKKP-QWHCGFSZSA-N -1 3 390.233 3.668 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000525753925 871389797 /nfs/dbraw/zinc/38/97/97/871389797.db2.gz YFECIJZUZLMKKP-CHWSQXEVSA-N -1 3 390.233 3.668 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000618183867 871400914 /nfs/dbraw/zinc/40/09/14/871400914.db2.gz MJGBEGSNSPORMP-LJQANCHMSA-N -1 3 394.519 3.502 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001193946349 871424371 /nfs/dbraw/zinc/42/43/71/871424371.db2.gz UEZJEHWWAVAHBO-UHFFFAOYSA-N -1 3 390.430 3.969 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN(c4ccccc4F)C[C@@H]3C)cc(=O)oc12 ZINC001194020587 871437529 /nfs/dbraw/zinc/43/75/29/871437529.db2.gz KNSATBXJFWISRO-AWEZNQCLSA-N -1 3 382.435 3.657 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2nc(C3CCCCC3)cs2)cc1OC ZINC000766712363 871519093 /nfs/dbraw/zinc/51/90/93/871519093.db2.gz NGQVDQBXSYRGIK-UHFFFAOYSA-N -1 3 390.505 3.999 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCC3(CCCC3)C2)cc1OC ZINC000525841649 871534237 /nfs/dbraw/zinc/53/42/37/871534237.db2.gz OFORFPHJLHAOGC-UHFFFAOYSA-N -1 3 395.525 3.645 20 0 GHADHM CCOC(=O)C(=Cc1ccc2c(c1)CCO2)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000103250166 871582778 /nfs/dbraw/zinc/58/27/78/871582778.db2.gz XERBJZGNFDHIMX-XNTDXEJSSA-N -1 3 396.468 3.640 20 0 GHADHM COc1ccc(OC)c(CN(Cc2cc(=O)oc3cc([O-])ccc23)C2CC2)c1 ZINC000181937392 871660899 /nfs/dbraw/zinc/66/08/99/871660899.db2.gz SZJPGVSPMCDIIO-UHFFFAOYSA-N -1 3 381.428 3.680 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000921067098 882534209 /nfs/dbraw/zinc/53/42/09/882534209.db2.gz SJMAVDCLCRFTAV-SNVBAGLBSA-N -1 3 394.718 3.746 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)cs2)c1 ZINC000618503482 871669942 /nfs/dbraw/zinc/66/99/42/871669942.db2.gz IBMBOHNOXFLQLU-YCPHGPKFSA-N -1 3 399.516 3.504 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc3c(Cl)cccc31)C(=O)N2 ZINC001194432159 871713946 /nfs/dbraw/zinc/71/39/46/871713946.db2.gz WEEJZPOJTJQVDQ-SFHVURJKSA-N -1 3 386.860 3.773 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1sc(Cl)c(Cl)c1OC ZINC001194556626 871790996 /nfs/dbraw/zinc/79/09/96/871790996.db2.gz JLUMNMFNRRBFJS-UHFFFAOYSA-N -1 3 394.207 3.947 20 0 GHADHM O=C(NC(=S)Nc1ccccc1NCc1ncccc1[O-])c1ccccc1 ZINC001169731850 871827948 /nfs/dbraw/zinc/82/79/48/871827948.db2.gz IAGVLPWJQLELMR-UHFFFAOYSA-N -1 3 378.457 3.526 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(-c2ccc(F)cc2)cn1 ZINC001194766335 871948699 /nfs/dbraw/zinc/94/86/99/871948699.db2.gz ZQOXTMWLPKXQOK-UHFFFAOYSA-N -1 3 384.338 3.771 20 0 GHADHM O=S(=O)([N-]C[C@]12C[C@H]1CCCC2)c1cccc(Cl)c1Br ZINC001194822265 871971621 /nfs/dbraw/zinc/97/16/21/871971621.db2.gz SFIFVNSILZCMBO-YGRLFVJLSA-N -1 3 378.719 3.961 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc3snnc3c(C)c2)c(C)c1C ZINC001194866920 871999366 /nfs/dbraw/zinc/99/93/66/871999366.db2.gz TUKPSGWLCGJJBX-UHFFFAOYSA-N -1 3 377.491 3.734 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cnc(Br)cc1Br ZINC001194970604 872061317 /nfs/dbraw/zinc/06/13/17/872061317.db2.gz NRXARIXGTIZCSQ-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(C2CCCC2)C1 ZINC000477890487 872090077 /nfs/dbraw/zinc/09/00/77/872090077.db2.gz URJJCWUKUUYPNL-UHFFFAOYSA-N -1 3 375.266 3.553 20 0 GHADHM O=C(N[C@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(Cl)[n-]c1=O ZINC001195140760 872195430 /nfs/dbraw/zinc/19/54/30/872195430.db2.gz DNLDLVKFDSXNNO-MRXNPFEDSA-N -1 3 378.831 3.868 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)cc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463667607 872292006 /nfs/dbraw/zinc/29/20/06/872292006.db2.gz GWHYQIDCLVLGSU-UHFFFAOYSA-N -1 3 397.834 3.591 20 0 GHADHM COc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc(Cl)c1[O-] ZINC000526954464 872326180 /nfs/dbraw/zinc/32/61/80/872326180.db2.gz HWGMYOOYQXFRRN-OAHLLOKOSA-N -1 3 383.275 3.740 20 0 GHADHM Cc1cccc2c1CCN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000767230847 872339959 /nfs/dbraw/zinc/33/99/59/872339959.db2.gz FITOPGYZINYKPJ-UHFFFAOYSA-N -1 3 375.266 3.731 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1[O-] ZINC000552287668 872353943 /nfs/dbraw/zinc/35/39/43/872353943.db2.gz ZLFBAGIDPQAJMQ-UHFFFAOYSA-N -1 3 387.457 3.563 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c1Cl ZINC000447842964 872387476 /nfs/dbraw/zinc/38/74/76/872387476.db2.gz DWPZIQQBXOWBRS-UHFFFAOYSA-N -1 3 397.230 3.777 20 0 GHADHM COc1cccc([N-]C(=S)NC(=O)c2ccccc2)c1C(=O)C(F)(F)F ZINC001195424505 872411685 /nfs/dbraw/zinc/41/16/85/872411685.db2.gz LXTJJUCZFPNSMW-UHFFFAOYSA-N -1 3 382.363 3.567 20 0 GHADHM CCOC([O-])=NC(=S)Nc1c(OC)cccc1-c1cc(=O)c2ccccc2o1 ZINC001195482763 872434691 /nfs/dbraw/zinc/43/46/91/872434691.db2.gz OSXUTNBFOFWQAW-UHFFFAOYSA-N -1 3 398.440 3.912 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1c(OC)cccc1-c1cc(=O)c2ccccc2o1 ZINC001195482763 872434701 /nfs/dbraw/zinc/43/47/01/872434701.db2.gz OSXUTNBFOFWQAW-UHFFFAOYSA-N -1 3 398.440 3.912 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(F)cc1)c1cc(Br)ccc1F ZINC001195497892 872448605 /nfs/dbraw/zinc/44/86/05/872448605.db2.gz BPQUAAGXMBRXQE-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM O=S(=O)([N-]Cc1csc(Cl)c1)c1cc(Br)ccc1F ZINC001195508720 872457742 /nfs/dbraw/zinc/45/77/42/872457742.db2.gz SOMLBWMDVCFMMG-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1cnn(C)c1 ZINC001195620982 872514006 /nfs/dbraw/zinc/51/40/06/872514006.db2.gz ILUMCQCVIMEUDD-ZDUSSCGKSA-N -1 3 380.272 3.542 20 0 GHADHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1F ZINC000175769006 882624513 /nfs/dbraw/zinc/62/45/13/882624513.db2.gz DTVZCSRPOOXADA-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000494613651 882626550 /nfs/dbraw/zinc/62/65/50/882626550.db2.gz GCGHPKDFTKPTLI-INIZCTEOSA-N -1 3 383.778 3.861 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)[n-]1 ZINC000619448617 872629704 /nfs/dbraw/zinc/62/97/04/872629704.db2.gz YMHKTVXWNSIRPY-UHFFFAOYSA-N -1 3 377.828 3.814 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)c[n-]1 ZINC000619448617 872629713 /nfs/dbraw/zinc/62/97/13/872629713.db2.gz YMHKTVXWNSIRPY-UHFFFAOYSA-N -1 3 377.828 3.814 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)[n-]1 ZINC000619448236 872636473 /nfs/dbraw/zinc/63/64/73/872636473.db2.gz IXMZUMXWSUUMMH-UHFFFAOYSA-N -1 3 385.464 3.682 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)c[n-]1 ZINC000619448236 872636480 /nfs/dbraw/zinc/63/64/80/872636480.db2.gz IXMZUMXWSUUMMH-UHFFFAOYSA-N -1 3 385.464 3.682 20 0 GHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(F)(F)F ZINC000767608606 872668550 /nfs/dbraw/zinc/66/85/50/872668550.db2.gz YMFSPGIJPLSITM-ISVAXAHUSA-N -1 3 381.807 3.539 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1cccc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195802717 872673666 /nfs/dbraw/zinc/67/36/66/872673666.db2.gz JZPGUFFESFJQGE-UHFFFAOYSA-N -1 3 378.450 3.564 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC001195803236 872674971 /nfs/dbraw/zinc/67/49/71/872674971.db2.gz WVXCLYVPEATTEM-UHFFFAOYSA-N -1 3 385.441 3.781 20 0 GHADHM COc1cc(NS(=O)(=O)c2ccc([O-])cc2)ccc1OCc1ccccc1 ZINC001195803236 872674975 /nfs/dbraw/zinc/67/49/75/872674975.db2.gz WVXCLYVPEATTEM-UHFFFAOYSA-N -1 3 385.441 3.781 20 0 GHADHM CC(C)(CNS(=O)(=O)c1ccc([O-])cc1)Cc1cccc(C(F)(F)F)c1 ZINC001195835726 872703822 /nfs/dbraw/zinc/70/38/22/872703822.db2.gz KYHLYYVYHQKDFS-UHFFFAOYSA-N -1 3 387.423 3.958 20 0 GHADHM COc1ccccc1C1(NS(=O)(=O)c2ccc([O-])cc2)CCC(F)(F)CC1 ZINC001195835211 872703838 /nfs/dbraw/zinc/70/38/38/872703838.db2.gz JOXILALMNRPSNR-UHFFFAOYSA-N -1 3 397.443 3.784 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1cccc(Cl)c1Cl ZINC000463863016 872741216 /nfs/dbraw/zinc/74/12/16/872741216.db2.gz FVVRFDXAFVSZNV-UHFFFAOYSA-N -1 3 382.272 3.862 20 0 GHADHM CC(C)c1cc(Br)cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001195985277 872785117 /nfs/dbraw/zinc/78/51/17/872785117.db2.gz PFEJHMBVQSEZSJ-UHFFFAOYSA-N -1 3 377.164 3.962 20 0 GHADHM CC(C)c1cc(Br)cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001195985277 872785125 /nfs/dbraw/zinc/78/51/25/872785125.db2.gz PFEJHMBVQSEZSJ-UHFFFAOYSA-N -1 3 377.164 3.962 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N(C)C ZINC000152703444 872797825 /nfs/dbraw/zinc/79/78/25/872797825.db2.gz NLQJHWUDJYQBNU-UHFFFAOYSA-N -1 3 390.505 3.630 20 0 GHADHM O=S(=O)([N-]Cc1csc2ccccc12)c1cccc(Br)n1 ZINC001196331567 873037847 /nfs/dbraw/zinc/03/78/47/873037847.db2.gz NIIVVVUYWJUPFQ-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM Cn1c(NC(=O)c2cc([O-])cc(I)c2)cc2ccccc21 ZINC001196403324 873077398 /nfs/dbraw/zinc/07/73/98/873077398.db2.gz YOSYDSAHOIUKDJ-UHFFFAOYSA-N -1 3 392.196 3.741 20 0 GHADHM Cn1ccc2cc(NC(=O)c3cc([O-])cc(I)c3)ccc21 ZINC001196416837 873101337 /nfs/dbraw/zinc/10/13/37/873101337.db2.gz DNFSMCKJPDUXED-UHFFFAOYSA-N -1 3 392.196 3.741 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)c1 ZINC000122855816 882687327 /nfs/dbraw/zinc/68/73/27/882687327.db2.gz HXGQIPZWIYXTGU-UHFFFAOYSA-N -1 3 394.393 3.906 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)[n-]n1 ZINC001196422633 873106448 /nfs/dbraw/zinc/10/64/48/873106448.db2.gz ZJOKWUMZTDOQPA-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)n[n-]1 ZINC001196422633 873106457 /nfs/dbraw/zinc/10/64/57/873106457.db2.gz ZJOKWUMZTDOQPA-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000527469144 873167816 /nfs/dbraw/zinc/16/78/16/873167816.db2.gz UWBOVOJSHSGGPO-ZDUSSCGKSA-N -1 3 390.421 3.633 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c1 ZINC001170445886 882707595 /nfs/dbraw/zinc/70/75/95/882707595.db2.gz ANWSNBOATOWRMM-LBPRGKRZSA-N -1 3 380.872 3.915 20 0 GHADHM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3c(F)cccc3-n3cccn3)ccc21 ZINC000768498963 873338310 /nfs/dbraw/zinc/33/83/10/873338310.db2.gz FRZYCTRKTCSZFW-UHFFFAOYSA-N -1 3 399.451 3.743 20 0 GHADHM COc1ccc2cccc(CC[N-]S(=O)(=O)c3cc(OC)ccc3F)c2c1 ZINC001196794037 873364631 /nfs/dbraw/zinc/36/46/31/873364631.db2.gz XJDNEJAGJQUDQG-UHFFFAOYSA-N -1 3 389.448 3.517 20 0 GHADHM CC(C)c1ncc2c(n1)CCN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)C2 ZINC000527620714 873364671 /nfs/dbraw/zinc/36/46/71/873364671.db2.gz YYOKSIOPDSFMBU-UHFFFAOYSA-N -1 3 375.432 3.553 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2csc(-c3cccc(F)c3)n2)c1 ZINC001196797160 873366575 /nfs/dbraw/zinc/36/65/75/873366575.db2.gz KVNSYFABFWHKES-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC001196778967 873385818 /nfs/dbraw/zinc/38/58/18/873385818.db2.gz CWUVSCQKQNPQLW-UHFFFAOYSA-N -1 3 399.443 3.544 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000122848581 882728030 /nfs/dbraw/zinc/72/80/30/882728030.db2.gz YFMQEENJMPGQSJ-HNNXBMFYSA-N -1 3 388.851 3.688 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)ccc2o1 ZINC000102748371 873527349 /nfs/dbraw/zinc/52/73/49/873527349.db2.gz KAQQFDBOJCFUPQ-UHFFFAOYSA-N -1 3 387.310 3.752 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)c1 ZINC001197116474 873610213 /nfs/dbraw/zinc/61/02/13/873610213.db2.gz YVNBGHLNMLKDOS-AATRIKPKSA-N -1 3 387.791 3.605 20 0 GHADHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197167685 873635153 /nfs/dbraw/zinc/63/51/53/873635153.db2.gz LIXDGBPYFIZILC-FQEVSTJZSA-N -1 3 392.421 3.909 20 0 GHADHM COC1CCN(C2(CN=c3nc(-c4ccccc4C)[n-]s3)CCCC2)CC1 ZINC000527886746 873716103 /nfs/dbraw/zinc/71/61/03/873716103.db2.gz QEUUVICKAKLBNJ-UHFFFAOYSA-N -1 3 386.565 3.771 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccc(-c2nnco2)cc1 ZINC001197526795 873856678 /nfs/dbraw/zinc/85/66/78/873856678.db2.gz HPGZAKOOCMPJLW-UHFFFAOYSA-N -1 3 384.244 3.985 20 0 GHADHM COc1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1Br ZINC001197600183 873934707 /nfs/dbraw/zinc/93/47/07/873934707.db2.gz IEBHLJQSCHHYCA-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM CCOc1nnc(NC(=O)c2c(C)n(Cc3ccccc3)c3ccccc32)[n-]1 ZINC001152343268 873954843 /nfs/dbraw/zinc/95/48/43/873954843.db2.gz ULXQQEMKZSXQHW-UHFFFAOYSA-N -1 3 375.432 3.767 20 0 GHADHM CCOc1nc(NC(=O)c2c(C)n(Cc3ccccc3)c3ccccc32)n[n-]1 ZINC001152343268 873954852 /nfs/dbraw/zinc/95/48/52/873954852.db2.gz ULXQQEMKZSXQHW-UHFFFAOYSA-N -1 3 375.432 3.767 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2c(C)n(Cc3ccccc3)c3ccccc32)n1 ZINC001152343268 873954857 /nfs/dbraw/zinc/95/48/57/873954857.db2.gz ULXQQEMKZSXQHW-UHFFFAOYSA-N -1 3 375.432 3.767 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(I)c[nH]1 ZINC000134201317 882779533 /nfs/dbraw/zinc/77/95/33/882779533.db2.gz PADXIKZTXWAXPZ-UHFFFAOYSA-N -1 3 396.106 3.596 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1cc(OCC2CC2)cc(C(F)(F)F)c1 ZINC001197829812 874082807 /nfs/dbraw/zinc/08/28/07/874082807.db2.gz NSYGKOYZHQOJDK-UHFFFAOYSA-N -1 3 386.395 3.831 20 0 GHADHM COc1ccc(C[C@H](C)CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1F ZINC000769478303 874098208 /nfs/dbraw/zinc/09/82/08/874098208.db2.gz XTZPRZZUAXKRFS-ZDUSSCGKSA-N -1 3 396.484 3.505 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000448876367 874110637 /nfs/dbraw/zinc/11/06/37/874110637.db2.gz XTHFZHPXKICBSJ-QGZVFWFLSA-N -1 3 381.407 3.878 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001197906731 874125474 /nfs/dbraw/zinc/12/54/74/874125474.db2.gz QAOHWVCUQPOLFJ-UHFFFAOYSA-N -1 3 393.374 3.634 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](C)c4ccccc43)nc(=O)c2c1C ZINC000541704089 874146995 /nfs/dbraw/zinc/14/69/95/874146995.db2.gz XXLOGSIMZSHFBJ-LBPRGKRZSA-N -1 3 397.500 3.984 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC(=O)N1 ZINC000541724926 874172255 /nfs/dbraw/zinc/17/22/55/874172255.db2.gz NDRQCOMGCNRISY-VXGBXAGGSA-N -1 3 381.457 3.522 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000448953247 874248087 /nfs/dbraw/zinc/24/80/87/874248087.db2.gz UROZGXFENRIFGR-UHFFFAOYSA-N -1 3 383.379 3.552 20 0 GHADHM O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1c([O-])cccc1Cl ZINC000769743900 874278915 /nfs/dbraw/zinc/27/89/15/874278915.db2.gz HOTFPOJSFVQNSD-UHFFFAOYSA-N -1 3 399.878 3.585 20 0 GHADHM COc1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c2ncccc12 ZINC000770183786 874506849 /nfs/dbraw/zinc/50/68/49/874506849.db2.gz RPDPBNBKCHTXOQ-UHFFFAOYSA-N -1 3 398.412 3.554 20 0 GHADHM O=C([N-]c1ccc(Br)c2c[nH]nc21)c1cnoc1C(F)(F)F ZINC001199054825 874779256 /nfs/dbraw/zinc/77/92/56/874779256.db2.gz GPGVLVRVIFWUHF-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM CCOc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])cc1OCC ZINC000775932270 874793094 /nfs/dbraw/zinc/79/30/94/874793094.db2.gz GNSOGHMCMMHNOR-UHFFFAOYSA-N -1 3 393.823 3.639 20 0 GHADHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1ncc(Cl)cc1Cl ZINC000775933414 874794387 /nfs/dbraw/zinc/79/43/87/874794387.db2.gz OAEPYZRPXNRLCZ-UHFFFAOYSA-N -1 3 375.595 3.543 20 0 GHADHM CCc1ccc([C@H]2COCCN2C(=O)c2cc([O-])cc(Br)c2)o1 ZINC000528608082 874794779 /nfs/dbraw/zinc/79/47/79/874794779.db2.gz AFQHPZLMCKHGAF-OAHLLOKOSA-N -1 3 380.238 3.524 20 0 GHADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc([S@](C)=O)cc1 ZINC000542040541 874802465 /nfs/dbraw/zinc/80/24/65/874802465.db2.gz MYTLFWZCNNXAOA-MUDIAHQHSA-N -1 3 381.457 3.670 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000528658343 874844976 /nfs/dbraw/zinc/84/49/76/874844976.db2.gz OWFZLLJZMUDQLF-GTNSWQLSSA-N -1 3 394.240 3.896 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)CC1 ZINC000770824498 874880829 /nfs/dbraw/zinc/88/08/29/874880829.db2.gz SWDHMAWXRCSKMC-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(C)c1F ZINC000542092830 874931615 /nfs/dbraw/zinc/93/16/15/874931615.db2.gz DXURKYHFPVRLAK-UHFFFAOYSA-N -1 3 393.358 3.885 20 0 GHADHM CN(C)Cc1nc(CSCCNc2[n-]c(=O)c(Cl)cc2Cl)cs1 ZINC001168109882 874954136 /nfs/dbraw/zinc/95/41/36/874954136.db2.gz YZVXFLANGZSVEH-UHFFFAOYSA-N -1 3 393.365 3.957 20 0 GHADHM CCCC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCC1 ZINC000465140224 875165307 /nfs/dbraw/zinc/16/53/07/875165307.db2.gz WIYNTFRALJRUOE-LJQANCHMSA-N -1 3 382.508 3.548 20 0 GHADHM O=S(=O)([N-]CCSCc1ccnc(Cl)c1)c1cccc(Cl)c1F ZINC000771479108 875279659 /nfs/dbraw/zinc/27/96/59/875279659.db2.gz BBMMAKLUQJJOSE-UHFFFAOYSA-N -1 3 395.308 3.739 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@@H](c2ncccc2C(F)(F)F)C2CC2)c1F ZINC001200866183 875368351 /nfs/dbraw/zinc/36/83/51/875368351.db2.gz MZPDKPJIQPINKT-OAHLLOKOSA-N -1 3 388.386 3.978 20 0 GHADHM Cc1cc(F)cc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c1 ZINC001201047581 875490844 /nfs/dbraw/zinc/49/08/44/875490844.db2.gz CVQCRVLICPDGQJ-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000460917509 882939033 /nfs/dbraw/zinc/93/90/33/882939033.db2.gz KTIPOYVSQYPLTR-LLVKDONJSA-N -1 3 384.498 3.673 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000529068938 875567303 /nfs/dbraw/zinc/56/73/03/875567303.db2.gz LNLKXIAOSSKIRG-LJQANCHMSA-N -1 3 388.261 3.816 20 0 GHADHM O=S(=O)([N-]c1cccc(CO)c1F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201363824 875642120 /nfs/dbraw/zinc/64/21/20/875642120.db2.gz ZLNPHLQENUGMNR-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC001201434674 875705357 /nfs/dbraw/zinc/70/53/57/875705357.db2.gz CIVNTOXTQULMEQ-UHFFFAOYSA-N -1 3 397.884 3.599 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ccncc21)c1cccc(F)c1Br ZINC001201791904 875859105 /nfs/dbraw/zinc/85/91/05/875859105.db2.gz DIIZQYFZMDADDE-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2c(Br)cnn2C)c(C)c1C ZINC001201792128 875859295 /nfs/dbraw/zinc/85/92/95/875859295.db2.gz SFIODDOGWLBLOU-UHFFFAOYSA-N -1 3 386.315 3.526 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1Br)c1ccc(C)o1 ZINC001201792731 875859424 /nfs/dbraw/zinc/85/94/24/875859424.db2.gz SKUHMVNVJOKLFE-LLVKDONJSA-N -1 3 376.247 3.919 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1ncccc1OCc1ccccc1 ZINC001201898453 875914372 /nfs/dbraw/zinc/91/43/72/875914372.db2.gz SHHKMYAOKWVTME-UHFFFAOYSA-N -1 3 394.905 3.854 20 0 GHADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1ncccc1OCc1ccccc1 ZINC001201898987 875914507 /nfs/dbraw/zinc/91/45/07/875914507.db2.gz BYIBEVHDKIMBQF-UHFFFAOYSA-N -1 3 394.452 3.885 20 0 GHADHM CN(C)Cc1cccc([N-]S(=O)(=O)c2ncccc2OCc2ccccc2)c1 ZINC001201898264 875914546 /nfs/dbraw/zinc/91/45/46/875914546.db2.gz ZMRWGRSTBRNJPE-UHFFFAOYSA-N -1 3 397.500 3.523 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1ncccc1OCc1ccccc1 ZINC001201903936 875932325 /nfs/dbraw/zinc/93/23/25/875932325.db2.gz KPDJKUBDDRWHDW-LJQANCHMSA-N -1 3 394.496 3.669 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1ccccc1Br ZINC001201979493 875942661 /nfs/dbraw/zinc/94/26/61/875942661.db2.gz HPGPOXVTYONOIO-UHFFFAOYSA-N -1 3 383.173 3.724 20 0 GHADHM O=C(Nc1c(Cl)cccc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001202100463 876003282 /nfs/dbraw/zinc/00/32/82/876003282.db2.gz BABPPKLLONVCGP-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)c(F)c1 ZINC000192740126 883003867 /nfs/dbraw/zinc/00/38/67/883003867.db2.gz BFYQYXLPPPOIFC-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000529453526 876155790 /nfs/dbraw/zinc/15/57/90/876155790.db2.gz QSINCTSGEJQIKY-CVEARBPZSA-N -1 3 380.282 3.576 20 0 GHADHM CC(=O)c1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)sc1C ZINC000450264385 876186165 /nfs/dbraw/zinc/18/61/65/876186165.db2.gz ZPWFFUQZSGRVAH-UHFFFAOYSA-N -1 3 393.896 3.868 20 0 GHADHM Cc1cncc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000785663693 876187848 /nfs/dbraw/zinc/18/78/48/876187848.db2.gz IARPBWHWEGPPIF-OAQYLSRUSA-N -1 3 390.439 3.700 20 0 GHADHM O=C([N-][C@H]1CSc2ccc(Br)cc21)C(F)(F)c1nccs1 ZINC000786014442 876386176 /nfs/dbraw/zinc/38/61/76/876386176.db2.gz APQDIQODYSQXNL-VIFPVBQESA-N -1 3 391.262 3.961 20 0 GHADHM CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc3occc3[n-]2)C(C)C)c1 ZINC000786031922 876419632 /nfs/dbraw/zinc/41/96/32/876419632.db2.gz UZQBPWOMKNZFAM-SFHVURJKSA-N -1 3 383.404 3.539 20 0 GHADHM C[C@H](Cc1ccccc1)NC(=S)NCc1ccc([O-])c(Br)c1 ZINC000786081600 876466066 /nfs/dbraw/zinc/46/60/66/876466066.db2.gz KNCFPVQWGSSKGD-GFCCVEGCSA-N -1 3 379.323 3.750 20 0 GHADHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NC(=O)Nc1ccccc1 ZINC000786139459 876467740 /nfs/dbraw/zinc/46/77/40/876467740.db2.gz HXNDMMOUVRWBAM-LLVKDONJSA-N -1 3 384.413 3.501 20 0 GHADHM CC(C)OC(=O)O[C@@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000850003330 876589684 /nfs/dbraw/zinc/58/96/84/876589684.db2.gz ZGFGHLAACQULNJ-GFCCVEGCSA-N -1 3 388.449 3.580 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cc(Br)ccc1F ZINC000193031900 883075594 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3.720 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000174706969 877193597 /nfs/dbraw/zinc/19/35/97/877193597.db2.gz BBYHOCMOKCYKST-UHFFFAOYSA-N -1 3 389.386 3.894 20 0 GHADHM CC[C@H](C)OCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551431099 877197590 /nfs/dbraw/zinc/19/75/90/877197590.db2.gz DWWUUVPJAWMWIS-VIFPVBQESA-N -1 3 378.230 3.599 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCSCc1ccnc(Cl)c1 ZINC000787203964 877250684 /nfs/dbraw/zinc/25/06/84/877250684.db2.gz BRLSDYYIUNQQDP-UHFFFAOYSA-N -1 3 382.888 3.952 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1)C(F)F ZINC000787386131 877386970 /nfs/dbraw/zinc/38/69/70/877386970.db2.gz ZCSNJOWTDYNEOJ-UHFFFAOYSA-N -1 3 395.214 3.998 20 0 GHADHM Cc1cccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1Br ZINC000787445579 877408407 /nfs/dbraw/zinc/40/84/07/877408407.db2.gz AQIZKAGMFQCXBN-UHFFFAOYSA-N -1 3 378.270 3.615 20 0 GHADHM C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1nc(Cc2ccccc2)no1 ZINC000175708782 877479519 /nfs/dbraw/zinc/47/95/19/877479519.db2.gz XJTUTEMBXIQYGN-HNNXBMFYSA-N -1 3 395.484 3.628 20 0 GHADHM O=C(OC/C=C/c1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787639605 877526256 /nfs/dbraw/zinc/52/62/56/877526256.db2.gz FAPRHVNCVKFNAJ-SHCNBLLESA-N -1 3 385.847 3.907 20 0 GHADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1C(=O)N1CCCCC1 ZINC000787680884 877551772 /nfs/dbraw/zinc/55/17/72/877551772.db2.gz LLMZDZQRFGHWIJ-UHFFFAOYSA-N -1 3 390.443 3.522 20 0 GHADHM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000615258526 877559395 /nfs/dbraw/zinc/55/93/95/877559395.db2.gz AWQFQZKXJKXOMN-UHFFFAOYSA-N -1 3 393.317 3.882 20 0 GHADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000615298968 877623066 /nfs/dbraw/zinc/62/30/66/877623066.db2.gz ABVBYWLPFGORFF-NSHDSACASA-N -1 3 375.799 3.977 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000787844708 877664715 /nfs/dbraw/zinc/66/47/15/877664715.db2.gz LVLPKZNUVLDPGH-ZDUSSCGKSA-N -1 3 393.842 3.756 20 0 GHADHM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc2sccc2c([O-])c1 ZINC000788276125 877988578 /nfs/dbraw/zinc/98/85/78/877988578.db2.gz LNHNJXSWMQXCGD-UHFFFAOYSA-N -1 3 380.425 3.508 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000530578206 878065215 /nfs/dbraw/zinc/06/52/15/878065215.db2.gz LPCCOIJKXAOYAA-OAHLLOKOSA-N -1 3 389.814 3.513 20 0 GHADHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000179867005 878122099 /nfs/dbraw/zinc/12/20/99/878122099.db2.gz WQKSYIFZNKJMCJ-VXGBXAGGSA-N -1 3 381.325 3.651 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1(CO)CC=CC1 ZINC001212274803 878147397 /nfs/dbraw/zinc/14/73/97/878147397.db2.gz SDBDHZFVZAOSRG-OAHLLOKOSA-N -1 3 378.321 3.625 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000176262015 878170289 /nfs/dbraw/zinc/17/02/89/878170289.db2.gz YADPCDGAZFOALP-UHFFFAOYSA-N -1 3 378.504 3.546 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cccc(C2CC2)c1 ZINC000451587148 878211018 /nfs/dbraw/zinc/21/10/18/878211018.db2.gz LFQDRXXYJCZCIW-GFCCVEGCSA-N -1 3 377.437 3.529 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c(C)c1Cl ZINC000788674508 878235439 /nfs/dbraw/zinc/23/54/39/878235439.db2.gz GCQZVNWCALQDDL-UHFFFAOYSA-N -1 3 399.921 3.550 20 0 GHADHM COCCCOc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000530699018 878340946 /nfs/dbraw/zinc/34/09/46/878340946.db2.gz YPUUICQOXUSZCQ-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000176673248 878347792 /nfs/dbraw/zinc/34/77/92/878347792.db2.gz PEHFGQJMCXSGQA-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cc(Cl)ccc1Br ZINC000451822091 878528778 /nfs/dbraw/zinc/52/87/78/878528778.db2.gz JHJZQFRWMMDNRX-QMMMGPOBSA-N -1 3 388.661 3.816 20 0 GHADHM COc1cc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2cc1OC ZINC000530857678 878626205 /nfs/dbraw/zinc/62/62/05/878626205.db2.gz ZAGOJRJNCATMNU-UHFFFAOYSA-N -1 3 382.401 3.616 20 0 GHADHM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2F)c1 ZINC000460825982 878630968 /nfs/dbraw/zinc/63/09/68/878630968.db2.gz APQGOHDVPMFHJJ-UHFFFAOYSA-N -1 3 377.416 3.877 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000460990319 878940581 /nfs/dbraw/zinc/94/05/81/878940581.db2.gz PVZCKTOEZGILMH-LBPRGKRZSA-N -1 3 396.896 3.852 20 0 GHADHM COC[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000538226378 879055188 /nfs/dbraw/zinc/05/51/88/879055188.db2.gz QNLNJYDTTBTKIZ-HNNXBMFYSA-N -1 3 385.370 3.837 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC1(F)CC1 ZINC000789585540 879082417 /nfs/dbraw/zinc/08/24/17/879082417.db2.gz ARTPDEVGMOLWQX-UHFFFAOYSA-N -1 3 381.400 3.594 20 0 GHADHM COc1ccc2cccc(CC(=O)OCc3noc(-c4ccccc4[O-])n3)c2c1 ZINC000784369431 879092576 /nfs/dbraw/zinc/09/25/76/879092576.db2.gz VFELYTPFHPHQCM-UHFFFAOYSA-N -1 3 390.395 3.890 20 0 GHADHM C[C@]1(F)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000452201195 879125670 /nfs/dbraw/zinc/12/56/70/879125670.db2.gz ZMUQJTHIVOMDTB-UGKGYDQZSA-N -1 3 384.451 3.604 20 0 GHADHM COc1ccc(Cl)cc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178518611 879137908 /nfs/dbraw/zinc/13/79/08/879137908.db2.gz TXZIJOZCMRWPJY-UHFFFAOYSA-N -1 3 399.672 3.816 20 0 GHADHM COc1cccc(OC)c1OCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000178715064 879194809 /nfs/dbraw/zinc/19/48/09/879194809.db2.gz GDWKRFVHXYEODZ-LLVKDONJSA-N -1 3 386.473 3.706 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(F)F ZINC000452268377 879231516 /nfs/dbraw/zinc/23/15/16/879231516.db2.gz XPJUWXQUOONCPG-JTQLQIEISA-N -1 3 393.615 3.718 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1nnc2ccccc2c1[O-] ZINC000111557162 879253695 /nfs/dbraw/zinc/25/36/95/879253695.db2.gz RTLNUGISHMIALF-UHFFFAOYSA-N -1 3 398.394 3.501 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(C(C)(C)C)ccc1O)c2=O ZINC000538386881 879397451 /nfs/dbraw/zinc/39/74/51/879397451.db2.gz CESPISWBXOXECP-UHFFFAOYSA-N -1 3 384.407 3.931 20 0 GHADHM CSc1nc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)n[n-]1 ZINC000493383275 879407693 /nfs/dbraw/zinc/40/76/93/879407693.db2.gz GNRPUYXNFZDUTD-UHFFFAOYSA-N -1 3 384.852 3.771 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(Cl)n1 ZINC000790345979 879613277 /nfs/dbraw/zinc/61/32/77/879613277.db2.gz FWDDZVFWLGJQMY-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461344796 879614104 /nfs/dbraw/zinc/61/41/04/879614104.db2.gz WRYHOWAZQQYSTG-UHFFFAOYSA-N -1 3 388.258 3.581 20 0 GHADHM O=C(N=c1nc(-c2ccccc2)[n-]s1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000531341810 879659575 /nfs/dbraw/zinc/65/95/75/879659575.db2.gz FYXOIJQQSBCKIU-GOSISDBHSA-N -1 3 393.516 3.586 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1cccc(Cl)c1Br ZINC000493889285 879701782 /nfs/dbraw/zinc/70/17/82/879701782.db2.gz UBAWZDIKYTXGIM-SECBINFHSA-N -1 3 384.748 3.667 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000493889698 879703988 /nfs/dbraw/zinc/70/39/88/879703988.db2.gz XLZAOKQUQQSNRC-UHFFFAOYSA-N -1 3 383.835 3.511 20 0 GHADHM CC(C)c1noc(Cc2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cc2)n1 ZINC000854382420 879770675 /nfs/dbraw/zinc/77/06/75/879770675.db2.gz YVFZADRFPLJGEQ-UHFFFAOYSA-N -1 3 379.342 3.778 20 0 GHADHM CC(C)c1noc(Cc2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cc2)n1 ZINC000854382420 879770680 /nfs/dbraw/zinc/77/06/80/879770680.db2.gz YVFZADRFPLJGEQ-UHFFFAOYSA-N -1 3 379.342 3.778 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cccc(Cl)c1Br ZINC000493962559 879779594 /nfs/dbraw/zinc/77/95/94/879779594.db2.gz VIHMMQHBHBRSEQ-QMMMGPOBSA-N -1 3 388.661 3.959 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N(CCn1ccnc1)C1CCSCC1 ZINC000854412885 879793230 /nfs/dbraw/zinc/79/32/30/879793230.db2.gz VEINFAGMBYUNIW-UHFFFAOYSA-N -1 3 381.501 3.780 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCCCC3CCOCC3)[n-]c(=O)c12 ZINC000538606501 879797699 /nfs/dbraw/zinc/79/76/99/879797699.db2.gz VXQFFOUXYAGWSV-UHFFFAOYSA-N -1 3 391.493 3.514 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)OC)cc2)cc1C ZINC000546780681 879852885 /nfs/dbraw/zinc/85/28/85/879852885.db2.gz QIEJZUAFIZTATG-OAHLLOKOSA-N -1 3 391.489 3.546 20 0 GHADHM CCC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC(F)(F)CC1 ZINC000854527626 879881946 /nfs/dbraw/zinc/88/19/46/879881946.db2.gz VKSSKTKQWZGHOR-GFCCVEGCSA-N -1 3 384.389 3.509 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2C)cc(OC)c1[O-] ZINC000494096032 879885850 /nfs/dbraw/zinc/88/58/50/879885850.db2.gz DGQIXLBHXLHJJY-WMZOPIPTSA-N -1 3 385.460 3.838 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)c(C)c3)nc21 ZINC000494081828 879903137 /nfs/dbraw/zinc/90/31/37/879903137.db2.gz NDRVBXIKSXIFLE-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](CC(=O)OC(C)(C)C)C3)nc2)n1 ZINC000531600903 880201717 /nfs/dbraw/zinc/20/17/17/880201717.db2.gz AZSDXPXYIWWOAF-OAHLLOKOSA-N -1 3 398.507 3.755 20 0 GHADHM Cc1noc(C)c1CNCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000531628925 880215875 /nfs/dbraw/zinc/21/58/75/880215875.db2.gz ZEGRPZXVOJIRJW-UHFFFAOYSA-N -1 3 389.452 3.521 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3c([O-])cccc3O)ccc21 ZINC001183470025 912559317 /nfs/dbraw/zinc/55/93/17/912559317.db2.gz WWCZYUNTJKLUOB-UHFFFAOYSA-N -1 3 398.459 3.716 20 0 GHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc2sccc2c([O-])c1)c1cccs1 ZINC000791387466 880379781 /nfs/dbraw/zinc/37/97/81/880379781.db2.gz VCJXAYOVMKZSKU-CYBMUJFWSA-N -1 3 387.482 3.782 20 0 GHADHM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000531773089 880458173 /nfs/dbraw/zinc/45/81/73/880458173.db2.gz ZBKSTQRMOUTPLO-OAHLLOKOSA-N -1 3 387.896 3.646 20 0 GHADHM Cc1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c(Oc2ccccc2)c1 ZINC000531775105 880463194 /nfs/dbraw/zinc/46/31/94/880463194.db2.gz WONNPGYGBQIROQ-UHFFFAOYSA-N -1 3 390.439 3.539 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113301752 880496379 /nfs/dbraw/zinc/49/63/79/880496379.db2.gz NIKFYTBSURMDHL-LLVKDONJSA-N -1 3 394.711 3.655 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)oc3ccccc32)cc1OC ZINC000185236325 880516270 /nfs/dbraw/zinc/51/62/70/880516270.db2.gz ACLMOLSCFZWNDI-UHFFFAOYSA-N -1 3 388.445 3.764 20 0 GHADHM COC1(c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CCCCC1 ZINC000453244718 880675972 /nfs/dbraw/zinc/67/59/72/880675972.db2.gz FFOCDOOZLTYMNF-GFCCVEGCSA-N -1 3 399.900 3.568 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000010491941 880683443 /nfs/dbraw/zinc/68/34/43/880683443.db2.gz JRGRHKUXGNHEFS-UHFFFAOYSA-N -1 3 381.251 3.710 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc2ccccc2c1Br ZINC000010493314 880683787 /nfs/dbraw/zinc/68/37/87/880683787.db2.gz IJCJWFXOBQSPKB-UHFFFAOYSA-N -1 3 381.251 3.710 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1c1ccccn1 ZINC000532006626 880877484 /nfs/dbraw/zinc/87/74/84/880877484.db2.gz QQFLTCVIPHJJCE-HNNXBMFYSA-N -1 3 376.254 3.596 20 0 GHADHM COc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c([O-])c1 ZINC000220044972 880901288 /nfs/dbraw/zinc/90/12/88/880901288.db2.gz UROWLWVDPBZZIH-UHFFFAOYSA-N -1 3 376.250 3.968 20 0 GHADHM COc1ccc(-c2nc(NC(=O)c3cc([O-])c4ccccc4c3)n[nH]2)cc1OC ZINC000792189840 880976653 /nfs/dbraw/zinc/97/66/53/880976653.db2.gz XYLOLJWXVPAZPD-UHFFFAOYSA-N -1 3 390.399 3.600 20 0 GHADHM Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cccc2C)[n-]c1-c1ccccc1 ZINC000186852710 881004619 /nfs/dbraw/zinc/00/46/19/881004619.db2.gz SUOHHGATWGEHAP-MRXNPFEDSA-N -1 3 397.500 3.803 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cnc(Cc2ccccc2F)s1 ZINC000186960230 881036552 /nfs/dbraw/zinc/03/65/52/881036552.db2.gz GUZDXFVDYUQSDT-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cncc([O-])c2)C[C@@H](c2ccccc2)C1 ZINC001183568101 912637288 /nfs/dbraw/zinc/63/72/88/912637288.db2.gz YECGYHQFHHJNHG-SJORKVTESA-N -1 3 397.475 3.767 20 0 GHADHM CC(C)(C)OC(=O)[C@@](C)([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1 ZINC000856326749 881134906 /nfs/dbraw/zinc/13/49/06/881134906.db2.gz AOBCHLZDSDHQFG-KRWDZBQOSA-N -1 3 382.432 3.608 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000187373847 881169530 /nfs/dbraw/zinc/16/95/30/881169530.db2.gz GVGHKPOFYZLDDO-UHFFFAOYSA-N -1 3 376.547 3.911 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000114185459 881185518 /nfs/dbraw/zinc/18/55/18/881185518.db2.gz RCDRQAUPGMCDQI-MRXNPFEDSA-N -1 3 390.439 3.660 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)c(C)c1C ZINC000919960278 881269652 /nfs/dbraw/zinc/26/96/52/881269652.db2.gz OPBOOEKVHPOPRX-UHFFFAOYSA-N -1 3 385.489 3.921 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)sc1Br ZINC000532166833 881336304 /nfs/dbraw/zinc/33/63/04/881336304.db2.gz XKUACJJUAVXBDY-NSHDSACASA-N -1 3 388.308 3.539 20 0 GHADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CO2 ZINC000532167372 881338612 /nfs/dbraw/zinc/33/86/12/881338612.db2.gz GPNJORUDRDKPQG-CYBMUJFWSA-N -1 3 375.343 3.565 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CO2 ZINC000532167380 881338830 /nfs/dbraw/zinc/33/88/30/881338830.db2.gz GPNJORUDRDKPQG-ZDUSSCGKSA-N -1 3 375.343 3.565 20 0 GHADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000476788603 883144450 /nfs/dbraw/zinc/14/44/50/883144450.db2.gz KFOJRKYLLSNAPL-UHFFFAOYSA-N -1 3 378.501 3.685 20 0 GHADHM CC(C)c1nc(C(=O)[N-]c2ccnc(Cl)c2F)nn1-c1ccccc1F ZINC001129740286 883169111 /nfs/dbraw/zinc/16/91/11/883169111.db2.gz UPJIJPDNHPLRQV-UHFFFAOYSA-N -1 3 377.782 3.970 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000153171656 883192417 /nfs/dbraw/zinc/19/24/17/883192417.db2.gz CLAOJCWLCIKWER-SJORKVTESA-N -1 3 398.425 3.682 20 0 GHADHM CC1(C)CC[C@](NCc2cncc(Br)c2)(C(=O)[O-])c2ccccc21 ZINC000551070976 883228759 /nfs/dbraw/zinc/22/87/59/883228759.db2.gz CCYRVVHPRVXTAM-LJQANCHMSA-N -1 3 389.293 3.985 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2Cl)s1 ZINC000551161819 883401373 /nfs/dbraw/zinc/40/13/73/883401373.db2.gz KBDOGHZCLUCYJS-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccoc1Br ZINC000193670325 883417739 /nfs/dbraw/zinc/41/77/39/883417739.db2.gz DTWCHXIVUADHQE-UHFFFAOYSA-N -1 3 381.617 3.588 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000185271912 883431510 /nfs/dbraw/zinc/43/15/10/883431510.db2.gz JBDZFESSTAKCHM-HUUCEWRRSA-N -1 3 399.372 3.905 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135575817 883451320 /nfs/dbraw/zinc/45/13/20/883451320.db2.gz VNBWDJIPIFOLAW-HNNXBMFYSA-N -1 3 378.480 3.808 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135575817 883451327 /nfs/dbraw/zinc/45/13/27/883451327.db2.gz VNBWDJIPIFOLAW-HNNXBMFYSA-N -1 3 378.480 3.808 20 0 GHADHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000551209833 883487808 /nfs/dbraw/zinc/48/78/08/883487808.db2.gz ZYTYBKWYNPGBFA-JQWIXIFHSA-N -1 3 396.734 3.584 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805006951 883549813 /nfs/dbraw/zinc/54/98/13/883549813.db2.gz AFSWHOCAHLRXJP-YMTOWFKASA-N -1 3 393.267 3.582 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2cn(C3CCCC3)nc21)c1cnc(Cl)c(F)c1 ZINC000805058152 883567076 /nfs/dbraw/zinc/56/70/76/883567076.db2.gz OPXSCDYQKYXGFG-HNNXBMFYSA-N -1 3 398.891 3.542 20 0 GHADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000175288787 883585981 /nfs/dbraw/zinc/58/59/81/883585981.db2.gz UGYFWWQBJRHRJU-CMDGGOBGSA-N -1 3 393.827 3.619 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186329692 883632073 /nfs/dbraw/zinc/63/20/73/883632073.db2.gz CBGTZDVQUXHUQC-GOSISDBHSA-N -1 3 386.810 3.534 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OCCC(=O)OC)cc1 ZINC000609875747 883763035 /nfs/dbraw/zinc/76/30/35/883763035.db2.gz HTQOZXFWKBMREP-UHFFFAOYSA-N -1 3 391.489 3.554 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Cl)cc1C(F)(F)F ZINC000477169443 883829312 /nfs/dbraw/zinc/82/93/12/883829312.db2.gz VKWAXFBYMZZSPW-UHOFOFEASA-N -1 3 387.810 3.975 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032442216 883829469 /nfs/dbraw/zinc/82/94/69/883829469.db2.gz MNXJBAFOEOMEAI-CYBMUJFWSA-N -1 3 399.472 3.583 20 0 GHADHM COc1cccc(-c2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)no2)c1[O-] ZINC000761756756 884070458 /nfs/dbraw/zinc/07/04/58/884070458.db2.gz QRYWYQLOZCDULF-UHFFFAOYSA-N -1 3 389.452 3.640 20 0 GHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4[N-]S(C)(=O)=O)cc3c2C1 ZINC000024884391 884084808 /nfs/dbraw/zinc/08/48/08/884084808.db2.gz CNSGEWUZXHZDHP-CYBMUJFWSA-N -1 3 397.500 3.917 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc2c(c1)CCO2 ZINC000859816199 884085087 /nfs/dbraw/zinc/08/50/87/884085087.db2.gz BCSOAUYLTYNTBS-KRWDZBQOSA-N -1 3 399.340 3.617 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000024886327 884085696 /nfs/dbraw/zinc/08/56/96/884085696.db2.gz MPIAFEYGXUDDJE-UHFFFAOYSA-N -1 3 384.910 3.583 20 0 GHADHM COCCOc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000024955793 884123616 /nfs/dbraw/zinc/12/36/16/884123616.db2.gz FTDGBHWNOCEIFC-UHFFFAOYSA-N -1 3 393.505 3.819 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C/Sc2ccccc2)cc1OC ZINC000918660734 884128386 /nfs/dbraw/zinc/12/83/86/884128386.db2.gz PAIICMVSOONKCT-VAWYXSNFSA-N -1 3 392.502 3.701 20 0 GHADHM O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476156506 884153200 /nfs/dbraw/zinc/15/32/00/884153200.db2.gz NDTGTDVJFTWWPJ-UHFFFAOYSA-N -1 3 396.390 3.879 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000012990601 884164404 /nfs/dbraw/zinc/16/44/04/884164404.db2.gz UIODGDWUROWIFG-CQSZACIVSA-N -1 3 389.473 3.611 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000263150132 884226203 /nfs/dbraw/zinc/22/62/03/884226203.db2.gz FHRFCYAUOKUQNU-VOAKCMCISA-N -1 3 387.307 3.602 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000556250088 884231313 /nfs/dbraw/zinc/23/13/13/884231313.db2.gz USIRQDOKGLSUCJ-QGZVFWFLSA-N -1 3 388.851 3.606 20 0 GHADHM O=c1nc(CN2CCO[C@H](c3ccccc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000192603469 884284639 /nfs/dbraw/zinc/28/46/39/884284639.db2.gz SYRPOANULMDJKR-KRWDZBQOSA-N -1 3 393.468 3.818 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000228884353 884465350 /nfs/dbraw/zinc/46/53/50/884465350.db2.gz NDRQEWVIZNZRRU-MNOVXSKESA-N -1 3 382.320 3.541 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2ccccc2)CCOCC1 ZINC000642323417 884523289 /nfs/dbraw/zinc/52/32/89/884523289.db2.gz MKNWXPPJRBFACX-UHFFFAOYSA-N -1 3 376.250 3.842 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1OCC ZINC000032590648 884570334 /nfs/dbraw/zinc/57/03/34/884570334.db2.gz UPGIEODWDDRFQZ-UHFFFAOYSA-N -1 3 385.869 3.947 20 0 GHADHM CCCOCc1ccccc1CNC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000918939394 884623505 /nfs/dbraw/zinc/62/35/05/884623505.db2.gz GEVCPXJWOWLSMN-UHFFFAOYSA-N -1 3 386.473 3.629 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898206209 884630597 /nfs/dbraw/zinc/63/05/97/884630597.db2.gz VURWCTGJLLZTTJ-JTQLQIEISA-N -1 3 390.802 3.501 20 0 GHADHM O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216771 884635821 /nfs/dbraw/zinc/63/58/21/884635821.db2.gz WAYJGLLRTKULMS-LBPRGKRZSA-N -1 3 382.851 3.824 20 0 GHADHM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000053427266 884703996 /nfs/dbraw/zinc/70/39/96/884703996.db2.gz IIWUOXOKHMBNPD-OAHLLOKOSA-N -1 3 395.890 3.701 20 0 GHADHM O=c1cc(C=Cc2cnn(Cc3ccccc3)c2Cl)nc(-c2ccncc2)[n-]1 ZINC000806562416 884814264 /nfs/dbraw/zinc/81/42/64/884814264.db2.gz IANKBVXYBCAHKA-SREVYHEPSA-N -1 3 389.846 3.901 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nc3ccsc3c(=O)n2Cc2ccccc2)n1 ZINC000761852137 884881652 /nfs/dbraw/zinc/88/16/52/884881652.db2.gz JDHGAVMWNNXIIR-UHFFFAOYSA-N -1 3 396.497 3.603 20 0 GHADHM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1c1ccccc1 ZINC000533918860 884998033 /nfs/dbraw/zinc/99/80/33/884998033.db2.gz UGUMTJIIXZATHZ-HOTGVXAUSA-N -1 3 385.316 3.717 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])cc(OC)c1OC ZINC000666441755 885047166 /nfs/dbraw/zinc/04/71/66/885047166.db2.gz CFXVXFSDJHKFHF-LLVKDONJSA-N -1 3 377.462 3.631 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000045085525 885070012 /nfs/dbraw/zinc/07/00/12/885070012.db2.gz JXYIMWKTMYFMPF-HNNXBMFYSA-N -1 3 392.908 3.760 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C)c3C(F)(F)F)nc21 ZINC001127330196 885175950 /nfs/dbraw/zinc/17/59/50/885175950.db2.gz CHMYCZMARLNRAD-UHFFFAOYSA-N -1 3 377.322 3.929 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc([C@H]4CCOC4)c3)c2)n1 ZINC000762065492 885315666 /nfs/dbraw/zinc/31/56/66/885315666.db2.gz UJCIHBLHUHGHOK-SFHVURJKSA-N -1 3 376.412 3.881 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919326493 885337113 /nfs/dbraw/zinc/33/71/13/885337113.db2.gz VPUCVSSXYDFETQ-AWEZNQCLSA-N -1 3 381.432 3.575 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919326493 885337152 /nfs/dbraw/zinc/33/71/52/885337152.db2.gz VPUCVSSXYDFETQ-AWEZNQCLSA-N -1 3 381.432 3.575 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc4ncccc43)n[n-]2)o1 ZINC000919328734 885343860 /nfs/dbraw/zinc/34/38/60/885343860.db2.gz RVGACHPYCRVRGI-CYBMUJFWSA-N -1 3 390.399 3.710 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc4ncccc43)[n-]n2)o1 ZINC000919328734 885343878 /nfs/dbraw/zinc/34/38/78/885343878.db2.gz RVGACHPYCRVRGI-CYBMUJFWSA-N -1 3 390.399 3.710 20 0 GHADHM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919329797 885348982 /nfs/dbraw/zinc/34/89/82/885348982.db2.gz UXGZGVFMRFFHNR-CYBMUJFWSA-N -1 3 383.404 3.561 20 0 GHADHM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919329797 885349000 /nfs/dbraw/zinc/34/90/00/885349000.db2.gz UXGZGVFMRFFHNR-CYBMUJFWSA-N -1 3 383.404 3.561 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919324401 885379832 /nfs/dbraw/zinc/37/98/32/885379832.db2.gz HSAQDILUZCQICM-CYBMUJFWSA-N -1 3 383.404 3.561 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919324401 885379852 /nfs/dbraw/zinc/37/98/52/885379852.db2.gz HSAQDILUZCQICM-CYBMUJFWSA-N -1 3 383.404 3.561 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000107665518 885433041 /nfs/dbraw/zinc/43/30/41/885433041.db2.gz RVJDQQBCKOSQBA-ZDUSSCGKSA-N -1 3 396.516 3.547 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000747408355 885572045 /nfs/dbraw/zinc/57/20/45/885572045.db2.gz WUAOOYCHKSMUMM-OKILXGFUSA-N -1 3 380.897 3.754 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000104770827 885588829 /nfs/dbraw/zinc/58/88/29/885588829.db2.gz ICLFSBXMWCELPZ-NSHDSACASA-N -1 3 383.835 3.981 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)c2nnc3ccccc3c2[O-])s1 ZINC000118321024 885622708 /nfs/dbraw/zinc/62/27/08/885622708.db2.gz IACDIENQGKHCDD-UHFFFAOYSA-N -1 3 379.441 3.729 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccco1 ZINC000476404636 885629389 /nfs/dbraw/zinc/62/93/89/885629389.db2.gz YMWFPJJWNDLPCZ-SFHVURJKSA-N -1 3 375.421 3.804 20 0 GHADHM CC[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000747413324 885641044 /nfs/dbraw/zinc/64/10/44/885641044.db2.gz NLPJYVNRADXOCZ-SECBINFHSA-N -1 3 388.415 3.970 20 0 GHADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000303769634 885716066 /nfs/dbraw/zinc/71/60/66/885716066.db2.gz GVAGUVFHKPOPHY-VIFPVBQESA-N -1 3 392.315 3.868 20 0 GHADHM Cc1nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cs1 ZINC000495461874 885864379 /nfs/dbraw/zinc/86/43/79/885864379.db2.gz AFCHCZHCBKRIHJ-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1C ZINC000108762345 885879038 /nfs/dbraw/zinc/87/90/38/885879038.db2.gz MPBFBEVGWWKHFD-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000808098760 886015775 /nfs/dbraw/zinc/01/57/75/886015775.db2.gz VQJWPRBWSKXUFQ-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1sc(=O)n(CC(=O)Nc2cccc([O-])c2F)c1-c1ccc(F)cc1 ZINC000762321024 886026130 /nfs/dbraw/zinc/02/61/30/886026130.db2.gz PSVWODYAELTMEB-UHFFFAOYSA-N -1 3 376.384 3.508 20 0 GHADHM COCc1ccc([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000131460465 886107472 /nfs/dbraw/zinc/10/74/72/886107472.db2.gz FDQSKEIAZJSIIE-HNNXBMFYSA-N -1 3 379.416 3.746 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(SC(F)(F)F)cc1 ZINC000808328085 886261234 /nfs/dbraw/zinc/26/12/34/886261234.db2.gz KMOKLUJHYMBBRJ-SNVBAGLBSA-N -1 3 379.347 3.918 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(Cl)c1Cl ZINC000762527093 886321738 /nfs/dbraw/zinc/32/17/38/886321738.db2.gz VBJLVYSSCQOEEL-NRUUGDAUSA-N -1 3 384.375 3.651 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)c2ccccc2)c1 ZINC000193476079 886351326 /nfs/dbraw/zinc/35/13/26/886351326.db2.gz IYOACPXPFDJACP-UHFFFAOYSA-N -1 3 393.443 3.649 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1c(C(F)(F)F)cnn1C ZINC000862420125 886363059 /nfs/dbraw/zinc/36/30/59/886363059.db2.gz JAQGSAMWCSLOLJ-UHFFFAOYSA-N -1 3 391.340 3.634 20 0 GHADHM COc1ccc(Br)cc1CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556894256 886488712 /nfs/dbraw/zinc/48/87/12/886488712.db2.gz QZMFZIKUGDKBQL-UHFFFAOYSA-N -1 3 378.222 3.547 20 0 GHADHM O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CCc2c(=O)[n-]cnc2C1 ZINC000499076148 886634702 /nfs/dbraw/zinc/63/47/02/886634702.db2.gz KLMKIUORVFBBBP-UHFFFAOYSA-N -1 3 389.333 3.660 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1CCSc2ccccc21 ZINC000640291405 886744197 /nfs/dbraw/zinc/74/41/97/886744197.db2.gz XVGKHKBSURVTPU-NSHDSACASA-N -1 3 390.818 3.879 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000762812371 886825400 /nfs/dbraw/zinc/82/54/00/886825400.db2.gz LUSCRCDHQXUXAO-UQRISPGASA-N -1 3 376.884 3.969 20 0 GHADHM Cc1c([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1ccc(F)cc1 ZINC000053798905 886859874 /nfs/dbraw/zinc/85/98/74/886859874.db2.gz SDSCUTOEAFXKEL-ZDUSSCGKSA-N -1 3 390.418 3.652 20 0 GHADHM Cc1scc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC001131495066 886891836 /nfs/dbraw/zinc/89/18/36/886891836.db2.gz RAIUZEJOJDVJMC-UHFFFAOYSA-N -1 3 395.893 3.827 20 0 GHADHM Cc1scc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC001131495066 886891853 /nfs/dbraw/zinc/89/18/53/886891853.db2.gz RAIUZEJOJDVJMC-UHFFFAOYSA-N -1 3 395.893 3.827 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)COC(=O)N3)cc1C(C)C ZINC000863422440 887094543 /nfs/dbraw/zinc/09/45/43/887094543.db2.gz YVAREXOFISAQKQ-UHFFFAOYSA-N -1 3 390.461 3.990 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000128307157 887170933 /nfs/dbraw/zinc/17/09/33/887170933.db2.gz LPBIROIDOJXFKP-LLVKDONJSA-N -1 3 383.345 3.800 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000129527179 887316850 /nfs/dbraw/zinc/31/68/50/887316850.db2.gz BYQKGVCVZOSGJR-SNVBAGLBSA-N -1 3 383.206 3.830 20 0 GHADHM O=C(c1ccccc1NCc1ccccc1Cl)N1CCc2nc[n-]c(=O)c2C1 ZINC000496016196 887389780 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3.783 20 0 GHADHM O=C([O-])[C@@]1(CNCc2sc(Sc3ccccc3)nc2Cl)CCCOC1 ZINC000864525133 887826675 /nfs/dbraw/zinc/82/66/75/887826675.db2.gz RSCUCHNOHPVRFO-QGZVFWFLSA-N -1 3 398.937 3.919 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1C ZINC000614837961 887892582 /nfs/dbraw/zinc/89/25/82/887892582.db2.gz YXBHYQSWZAIVQW-GOSISDBHSA-N -1 3 391.489 3.752 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000810011294 888077606 /nfs/dbraw/zinc/07/76/06/888077606.db2.gz HTOAELUUXHHXEI-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000810070853 888157071 /nfs/dbraw/zinc/15/70/71/888157071.db2.gz XRIIZGCMUIDIMZ-CYBMUJFWSA-N -1 3 383.439 3.701 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000055652304 888226376 /nfs/dbraw/zinc/22/63/76/888226376.db2.gz HSLRGGYWFWTJGL-UHFFFAOYSA-N -1 3 385.869 3.947 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000763208371 888299854 /nfs/dbraw/zinc/29/98/54/888299854.db2.gz LZEIMIWALFUICA-HXUWFJFHSA-N -1 3 389.496 3.911 20 0 GHADHM COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc(OC)c1[O-] ZINC000136606849 888305276 /nfs/dbraw/zinc/30/52/76/888305276.db2.gz DKXIPSMZTKFRIO-UHFFFAOYSA-N -1 3 395.459 3.504 20 0 GHADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459375080 888386658 /nfs/dbraw/zinc/38/66/58/888386658.db2.gz JRSPYNWOOOOKCZ-UHFFFAOYSA-N -1 3 390.487 3.927 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1ncc(Cl)cn1 ZINC001132275591 888523369 /nfs/dbraw/zinc/52/33/69/888523369.db2.gz PQYKDYUTFDGAMO-UHFFFAOYSA-N -1 3 386.260 3.691 20 0 GHADHM Cc1cc(C)n2nc(CCCOC(=O)c3cc4cc(Cl)sc4[n-]3)nc2n1 ZINC000810541807 888637828 /nfs/dbraw/zinc/63/78/28/888637828.db2.gz NKOLNFMRUHNSCZ-UHFFFAOYSA-N -1 3 389.868 3.727 20 0 GHADHM CC[C@@H](CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)C(C)(C)C ZINC001132326918 888644054 /nfs/dbraw/zinc/64/40/54/888644054.db2.gz SDQNPZUBHNSEEX-NSHDSACASA-N -1 3 375.560 3.621 20 0 GHADHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc3cc(C)ccc23)C1=O ZINC000794883030 888649257 /nfs/dbraw/zinc/64/92/57/888649257.db2.gz RFTFDRBLCHXIOS-NRFANRHFSA-N -1 3 393.468 3.712 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000123317351 888653012 /nfs/dbraw/zinc/65/30/12/888653012.db2.gz ZLLVRGBZDDPHBK-SJLPKXTDSA-N -1 3 379.378 3.511 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C(F)(F)F)cc(Cl)n3)nc21 ZINC000810660182 888784122 /nfs/dbraw/zinc/78/41/22/888784122.db2.gz GSTVFFKGUFSUIV-UHFFFAOYSA-N -1 3 398.728 3.669 20 0 GHADHM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000796104077 913279202 /nfs/dbraw/zinc/27/92/02/913279202.db2.gz NLABIOWTDTZTOI-KBXCAEBGSA-N -1 3 388.514 3.519 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3ccnn3C)cc2)cc(=O)[n-]1 ZINC000532732045 888833045 /nfs/dbraw/zinc/83/30/45/888833045.db2.gz QJHRKPVOVZCQAQ-LJQANCHMSA-N -1 3 392.463 3.650 20 0 GHADHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000123383509 888900136 /nfs/dbraw/zinc/90/01/36/888900136.db2.gz PXUMMXSOUVRFCD-ZETCQYMHSA-N -1 3 377.164 3.718 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000123383509 888900147 /nfs/dbraw/zinc/90/01/47/888900147.db2.gz PXUMMXSOUVRFCD-ZETCQYMHSA-N -1 3 377.164 3.718 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)nc2c1COCC2 ZINC000866629280 888983139 /nfs/dbraw/zinc/98/31/39/888983139.db2.gz YYGULXVNZMIDDU-FQEVSTJZSA-N -1 3 395.890 3.982 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000532855344 889091258 /nfs/dbraw/zinc/09/12/58/889091258.db2.gz RHUPYRRSNNSTOI-NSHDSACASA-N -1 3 379.532 3.923 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1COc2ccccc21 ZINC000532856274 889094530 /nfs/dbraw/zinc/09/45/30/889094530.db2.gz DNBNOFBFXMXXAC-ZWNOBZJWSA-N -1 3 389.370 3.688 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000287402569 913313544 /nfs/dbraw/zinc/31/35/44/913313544.db2.gz KCXGLEFWWGCUBS-INIZCTEOSA-N -1 3 394.244 3.639 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c(Cl)cc1F ZINC000121834621 889165968 /nfs/dbraw/zinc/16/59/68/889165968.db2.gz MJHLZKCXWNOHFL-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM C[C@@H](NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CCC1 ZINC000868441245 889444466 /nfs/dbraw/zinc/44/44/66/889444466.db2.gz SJEDCOKTRKLFIO-TZMCWYRMSA-N -1 3 383.414 3.557 20 0 GHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC(=O)NC1CCCCC1 ZINC000811393374 889531668 /nfs/dbraw/zinc/53/16/68/889531668.db2.gz GMDAGEIUXXEZFB-SECBINFHSA-N -1 3 397.884 3.587 20 0 GHADHM CC(C)N(CC(F)(F)F)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393460 889532601 /nfs/dbraw/zinc/53/26/01/889532601.db2.gz JDGOBKYUNPOJQI-UHFFFAOYSA-N -1 3 382.791 3.839 20 0 GHADHM CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395342 889535758 /nfs/dbraw/zinc/53/57/58/889535758.db2.gz CJYBHSHTCJJRRM-SECBINFHSA-N -1 3 380.857 3.844 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000811527915 889682006 /nfs/dbraw/zinc/68/20/06/889682006.db2.gz CPAAJWJNXWDLMG-FQEVSTJZSA-N -1 3 394.899 3.909 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1)C(F)(F)F ZINC000811514936 889711130 /nfs/dbraw/zinc/71/11/30/889711130.db2.gz RXEUIXGWUOZRKK-AWEZNQCLSA-N -1 3 382.382 3.962 20 0 GHADHM CCCCn1nc(C)c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1Cl ZINC000811515320 889712392 /nfs/dbraw/zinc/71/23/92/889712392.db2.gz XYTPEQUVQTZIAE-ZDUSSCGKSA-N -1 3 394.869 3.536 20 0 GHADHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000533095814 889718846 /nfs/dbraw/zinc/71/88/46/889718846.db2.gz UIEBTQGAXQSJDQ-AWEZNQCLSA-N -1 3 394.707 3.967 20 0 GHADHM CCCOc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(OC(F)F)c1 ZINC000124870641 889796877 /nfs/dbraw/zinc/79/68/77/889796877.db2.gz IJJYXGQGLZNUFA-UHFFFAOYSA-N -1 3 398.381 3.921 20 0 GHADHM CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cs1 ZINC000125283427 889937255 /nfs/dbraw/zinc/93/72/55/889937255.db2.gz IRCJKHCLUXTQKG-UHFFFAOYSA-N -1 3 387.383 3.643 20 0 GHADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)o1 ZINC000533200735 889986313 /nfs/dbraw/zinc/98/63/13/889986313.db2.gz IQDZSCCCANUEIU-LLVKDONJSA-N -1 3 393.852 3.863 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000811872332 890067409 /nfs/dbraw/zinc/06/74/09/890067409.db2.gz UHYBAQCEJKROOG-OAHLLOKOSA-N -1 3 399.457 3.584 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC000811878756 890081732 /nfs/dbraw/zinc/08/17/32/890081732.db2.gz NNQVHBCSPOIXEZ-NVXWUHKLSA-N -1 3 399.457 3.792 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811880695 890083235 /nfs/dbraw/zinc/08/32/35/890083235.db2.gz NNBUYDOMJPFBOH-GOEBONIOSA-N -1 3 391.478 3.836 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c1Cl ZINC000561110958 890495075 /nfs/dbraw/zinc/49/50/75/890495075.db2.gz WALOXYSVZJTAJD-UHFFFAOYSA-N -1 3 378.306 3.509 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1F ZINC000126428003 890528145 /nfs/dbraw/zinc/52/81/45/890528145.db2.gz VBCPDAPSXYJQKB-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1F ZINC000126499040 890566133 /nfs/dbraw/zinc/56/61/33/890566133.db2.gz HXYRPQJJICANRR-UHFFFAOYSA-N -1 3 379.384 3.936 20 0 GHADHM C[C@H](CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)n1cccc1 ZINC000871312699 890745297 /nfs/dbraw/zinc/74/52/97/890745297.db2.gz BEWJNJSCBYQNAK-HUUCEWRRSA-N -1 3 393.409 3.638 20 0 GHADHM O=S(=O)([N-]Cc1ccc(SC(F)(F)F)cc1)c1cccnc1Cl ZINC001184889652 913486211 /nfs/dbraw/zinc/48/62/11/913486211.db2.gz UMUOQPWPQHGQOY-UHFFFAOYSA-N -1 3 382.816 3.825 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@H]1CC1(C)C ZINC001212219331 890818730 /nfs/dbraw/zinc/81/87/30/890818730.db2.gz FVOHWDYSGBYAEZ-MWLCHTKSSA-N -1 3 381.723 3.601 20 0 GHADHM CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2F)CC1 ZINC000533617411 890942854 /nfs/dbraw/zinc/94/28/54/890942854.db2.gz VBALOVXMUZQWRT-UHFFFAOYSA-N -1 3 377.847 3.579 20 0 GHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(Cc3ccc(OC)cc3)nn2)CC)n1 ZINC000871665704 890965615 /nfs/dbraw/zinc/96/56/15/890965615.db2.gz UJQIMONHDYJCPF-LFIBNONCSA-N -1 3 379.464 3.734 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCC(F)(F)F)c(OC)c2)C(=O)[O-])cc1 ZINC000871883493 891073636 /nfs/dbraw/zinc/07/36/36/891073636.db2.gz OQEZDTXZOZAOKM-KRWDZBQOSA-N -1 3 399.365 3.560 20 0 GHADHM COc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)ccc1OCCC(C)C ZINC000533675301 891115663 /nfs/dbraw/zinc/11/56/63/891115663.db2.gz RWDTYWVIFFIKKS-UHFFFAOYSA-N -1 3 380.448 3.579 20 0 GHADHM O=C(COc1ccc(Cl)c2ccccc12)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533675149 891115764 /nfs/dbraw/zinc/11/57/64/891115764.db2.gz NXQMPCVNPPONJP-UHFFFAOYSA-N -1 3 378.819 3.718 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000795198719 891122588 /nfs/dbraw/zinc/12/25/88/891122588.db2.gz HADYWHHCHMGEQK-UHFFFAOYSA-N -1 3 382.707 3.580 20 0 GHADHM C[C@@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872068069 891136763 /nfs/dbraw/zinc/13/67/63/891136763.db2.gz VHGFEGJIVRHGCK-SNVBAGLBSA-N -1 3 391.386 3.804 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(C(F)(F)F)ccc21)c1cccnc1Cl ZINC001184907844 913527691 /nfs/dbraw/zinc/52/76/91/913527691.db2.gz XRHDZXQSCDWCIF-NSHDSACASA-N -1 3 392.786 3.556 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000747835467 891230890 /nfs/dbraw/zinc/23/08/90/891230890.db2.gz FZCAHDBRURHLBJ-GHTZIAJQSA-N -1 3 380.488 3.611 20 0 GHADHM CN1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)Cc2cccnc21 ZINC000872317712 891235912 /nfs/dbraw/zinc/23/59/12/891235912.db2.gz COFPUEJNNLIULG-UHFFFAOYSA-N -1 3 393.472 3.504 20 0 GHADHM CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(Cl)c1 ZINC000072007794 891237185 /nfs/dbraw/zinc/23/71/85/891237185.db2.gz MLNCTIAYGIZFMS-SFHVURJKSA-N -1 3 396.878 3.604 20 0 GHADHM COc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c1[O-] ZINC000813278465 891463905 /nfs/dbraw/zinc/46/39/05/891463905.db2.gz IEXALOMVGBFPLT-UHFFFAOYSA-N -1 3 384.432 3.803 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813283603 891469971 /nfs/dbraw/zinc/46/99/71/891469971.db2.gz WTHCBEPCJJZANZ-JKSUJKDBSA-N -1 3 376.463 3.900 20 0 GHADHM CC[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185068659 913642318 /nfs/dbraw/zinc/64/23/18/913642318.db2.gz FQKIOCINWUEEMY-LLVKDONJSA-N -1 3 394.711 3.736 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OCC(F)(F)F ZINC000262717317 892330463 /nfs/dbraw/zinc/33/04/63/892330463.db2.gz STIOLLUBGHBTCP-QGZVFWFLSA-N -1 3 383.366 3.942 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1N1CCCCC1=O ZINC001185137625 913658028 /nfs/dbraw/zinc/65/80/28/913658028.db2.gz HTFLVYWJQXKMLI-UHFFFAOYSA-N -1 3 394.443 3.732 20 0 GHADHM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F ZINC000917747676 892499062 /nfs/dbraw/zinc/49/90/62/892499062.db2.gz ZAINDZSJJFOPRF-UHFFFAOYSA-N -1 3 394.468 3.632 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000263318630 892522064 /nfs/dbraw/zinc/52/20/64/892522064.db2.gz JDPPZJGCVHGGPF-DGCLKSJQSA-N -1 3 379.254 3.647 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000263397025 892547676 /nfs/dbraw/zinc/54/76/76/892547676.db2.gz ZNFWLRNABNJSKH-AYOQOUSVSA-N -1 3 377.444 3.869 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccn1 ZINC001212230217 892602257 /nfs/dbraw/zinc/60/22/57/892602257.db2.gz YWBYPJDKWQMQIM-GFCCVEGCSA-N -1 3 391.237 3.552 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000128994872 892833428 /nfs/dbraw/zinc/83/34/28/892833428.db2.gz DSKIVJQETXSNKH-UHFFFAOYSA-N -1 3 390.370 3.580 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)c[n-]1 ZINC000814531392 892863598 /nfs/dbraw/zinc/86/35/98/892863598.db2.gz QXJXZORTUCUTCY-UHFFFAOYSA-N -1 3 389.351 3.779 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2nc(-c3ccccc3Cl)cs2)c[n-]1 ZINC000814531031 892864261 /nfs/dbraw/zinc/86/42/61/892864261.db2.gz BBEQNQUTOHGJCM-UHFFFAOYSA-N -1 3 376.821 3.935 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(OC)cc2Cl)c1 ZINC000288255986 913708674 /nfs/dbraw/zinc/70/86/74/913708674.db2.gz PGOWYDWQWPYQDA-UHFFFAOYSA-N -1 3 385.869 3.613 20 0 GHADHM O=C1[C@H](NCc2cccc([O-])c2Cl)CCCN1Cc1ccc(F)cc1F ZINC000645176838 913729616 /nfs/dbraw/zinc/72/96/16/913729616.db2.gz JDNRHROJUHYYED-MRXNPFEDSA-N -1 3 380.822 3.605 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)[N-]c1nc(-c2cnn(C)c2)ns1 ZINC001134661925 893189982 /nfs/dbraw/zinc/18/99/82/893189982.db2.gz ODXDXCYVLJYSAO-UHFFFAOYSA-N -1 3 385.474 3.800 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000069375183 893298347 /nfs/dbraw/zinc/29/83/47/893298347.db2.gz XAZSVFVVEZUJBI-UHFFFAOYSA-N -1 3 382.420 3.845 20 0 GHADHM Cc1cc([C@@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CCO2)ccc1F ZINC000129398609 893344341 /nfs/dbraw/zinc/34/43/41/893344341.db2.gz MQAZVVIODQAGQV-SFHVURJKSA-N -1 3 393.418 3.690 20 0 GHADHM Cc1cc([C@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CCO2)ccc1F ZINC000129398794 893344632 /nfs/dbraw/zinc/34/46/32/893344632.db2.gz MQAZVVIODQAGQV-GOSISDBHSA-N -1 3 393.418 3.690 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1)c1ccc(C)o1 ZINC000815021419 893347916 /nfs/dbraw/zinc/34/79/16/893347916.db2.gz GGWXKEUHHWKESZ-MRXNPFEDSA-N -1 3 394.880 3.764 20 0 GHADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[N-]c1nc2ccccn2n1 ZINC000191149444 893404206 /nfs/dbraw/zinc/40/42/06/893404206.db2.gz QQBCRSILCKKKLA-UHFFFAOYSA-N -1 3 387.321 3.964 20 0 GHADHM O=C([O-])C[C@H]1CSCCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000563280687 893560646 /nfs/dbraw/zinc/56/06/46/893560646.db2.gz GDYVZLWZGDOKMQ-FQEVSTJZSA-N -1 3 393.512 3.931 20 0 GHADHM [O-]c1cccc(CNCc2ccncc2OCC(F)(F)F)c1Br ZINC000459528031 893737325 /nfs/dbraw/zinc/73/73/25/893737325.db2.gz JXTKMVHTZUUKPE-UHFFFAOYSA-N -1 3 391.187 3.781 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000536760020 893752441 /nfs/dbraw/zinc/75/24/41/893752441.db2.gz FCKVNAAKRIRZMU-PIGZYNQJSA-N -1 3 387.860 3.542 20 0 GHADHM CC[C@@H](C)CCC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134978039 893760725 /nfs/dbraw/zinc/76/07/25/893760725.db2.gz FWVPYGFWYHKPLG-SECBINFHSA-N -1 3 382.258 3.877 20 0 GHADHM CCOc1cc(CNc2cc(CS(C)(=O)=O)ccc2OC)cc(Cl)c1[O-] ZINC000459547342 893777563 /nfs/dbraw/zinc/77/75/63/893777563.db2.gz VPHPLSGBCYQKLR-UHFFFAOYSA-N -1 3 399.896 3.610 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000129682686 893817289 /nfs/dbraw/zinc/81/72/89/893817289.db2.gz POPSTIFJJNAZCO-UHFFFAOYSA-N -1 3 382.391 3.712 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000498280165 893844546 /nfs/dbraw/zinc/84/45/46/893844546.db2.gz YKYZICJGWSUXAW-JTQLQIEISA-N -1 3 375.226 3.645 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000129719524 893890277 /nfs/dbraw/zinc/89/02/77/893890277.db2.gz RSFIFEMWDKLWCX-SECBINFHSA-N -1 3 383.206 3.830 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC000877922410 893895149 /nfs/dbraw/zinc/89/51/49/893895149.db2.gz CVYLHJNMENCIDM-UHFFFAOYSA-N -1 3 395.459 3.798 20 0 GHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cnc(CCC(F)(F)F)s1 ZINC000934905327 894029804 /nfs/dbraw/zinc/02/98/04/894029804.db2.gz RHIDYRKVVFQYJU-UHFFFAOYSA-N -1 3 390.334 3.847 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1occc1Br)c1cccc(OC(F)F)c1 ZINC001185389986 913833253 /nfs/dbraw/zinc/83/32/53/913833253.db2.gz NLKZYBGUNZUJSB-MRVPVSSYSA-N -1 3 396.209 3.683 20 0 GHADHM CCN(Cc1nc2c(c(=O)[n-]1)COCC2)C(c1ccccc1)c1ccccc1 ZINC000878240152 894123690 /nfs/dbraw/zinc/12/36/90/894123690.db2.gz ZTCSFDVGZNIYKB-UHFFFAOYSA-N -1 3 375.472 3.866 20 0 GHADHM CCCc1nc(C(=O)[N-]c2cc(C(C)(C)F)on2)nn1-c1ccccc1F ZINC001135195526 894198809 /nfs/dbraw/zinc/19/88/09/894198809.db2.gz WYBZBGKSYUUJGU-UHFFFAOYSA-N -1 3 375.379 3.804 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC(C)(C)CC(F)(F)F)cc1OC ZINC000878345801 894210543 /nfs/dbraw/zinc/21/05/43/894210543.db2.gz XKXPFZMFOLSWIJ-UHFFFAOYSA-N -1 3 396.431 3.764 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Br)c1 ZINC001135242375 894253291 /nfs/dbraw/zinc/25/32/91/894253291.db2.gz KINIEMIXHYYLRL-UHFFFAOYSA-N -1 3 389.249 3.551 20 0 GHADHM O=c1[nH]cc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1Br ZINC001185429941 913858098 /nfs/dbraw/zinc/85/80/98/913858098.db2.gz VMTBQBURSJYXEY-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM COc1ccc(CN(Cc2nnc(-c3ccccc3[O-])o2)CC2CC2)c(OC)c1 ZINC000878561527 894384386 /nfs/dbraw/zinc/38/43/86/894384386.db2.gz SGKHWUBOVKPCSA-UHFFFAOYSA-N -1 3 395.459 3.872 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000564007346 894444874 /nfs/dbraw/zinc/44/48/74/894444874.db2.gz FHJGCJIMBJHLOO-UHFFFAOYSA-N -1 3 375.824 3.557 20 0 GHADHM COc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc(OC)c1 ZINC001135370349 894451901 /nfs/dbraw/zinc/45/19/01/894451901.db2.gz MGMXFRLNDNVNRW-UHFFFAOYSA-N -1 3 380.400 3.641 20 0 GHADHM O=c1[n-]c(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)nc2c1COCC2 ZINC000878628444 894466863 /nfs/dbraw/zinc/46/68/63/894466863.db2.gz PILCKNCHAKJFPC-QGZVFWFLSA-N -1 3 380.275 3.803 20 0 GHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000564232752 894748611 /nfs/dbraw/zinc/74/86/11/894748611.db2.gz LWUFYPPDOUSPQX-UHFFFAOYSA-N -1 3 399.148 3.925 20 0 GHADHM CCCCc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C(C)C)cc1 ZINC001135672981 895039157 /nfs/dbraw/zinc/03/91/57/895039157.db2.gz RIMMKQISSYFAKI-LJQANCHMSA-N -1 3 378.480 3.731 20 0 GHADHM CCCCc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C(C)C)cc1 ZINC001135672981 895039173 /nfs/dbraw/zinc/03/91/73/895039173.db2.gz RIMMKQISSYFAKI-LJQANCHMSA-N -1 3 378.480 3.731 20 0 GHADHM Cc1nc2sc3c(c2c(N2CCC(c4n[n-]c(=O)o4)CC2)n1)CC[C@@H](C)C3 ZINC000564580820 895097458 /nfs/dbraw/zinc/09/74/58/895097458.db2.gz BFDCIVCLUITGDM-SNVBAGLBSA-N -1 3 385.493 3.597 20 0 GHADHM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816864033 895136339 /nfs/dbraw/zinc/13/63/39/895136339.db2.gz AXCCBRJJKWGAGO-UHFFFAOYSA-N -1 3 380.366 3.624 20 0 GHADHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Cc1ccccc1 ZINC000564630008 895141347 /nfs/dbraw/zinc/14/13/47/895141347.db2.gz BTBBKUVCMVKTAJ-HNNXBMFYSA-N -1 3 378.350 3.663 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccsc1 ZINC000816868972 895142845 /nfs/dbraw/zinc/14/28/45/895142845.db2.gz CHNQSSIBTMMPLN-OAHLLOKOSA-N -1 3 375.519 3.991 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)C[C@H](C)C3)c2c1 ZINC000564800404 895254582 /nfs/dbraw/zinc/25/45/82/895254582.db2.gz HGUKVKDKSORRFP-ZDUSSCGKSA-N -1 3 395.425 3.870 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2C)coc1C(=O)N(C)C ZINC000645532594 913960663 /nfs/dbraw/zinc/96/06/63/913960663.db2.gz MCXUPEQYAAOSMB-QGZVFWFLSA-N -1 3 392.521 3.664 20 0 GHADHM O=C(NCc1ccccc1OC(F)(F)F)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001135844362 895403351 /nfs/dbraw/zinc/40/33/51/895403351.db2.gz XCDPLPPAAPSEQY-UHFFFAOYSA-N -1 3 398.287 3.635 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001135854104 895421168 /nfs/dbraw/zinc/42/11/68/895421168.db2.gz XHZCSJJLAJCVPD-UHFFFAOYSA-N -1 3 397.244 3.616 20 0 GHADHM COC(=O)[C@]12CCC[C@H]1N(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000880182713 895560731 /nfs/dbraw/zinc/56/07/31/895560731.db2.gz XVHIFBZZQVJOMF-VLIAUNLRSA-N -1 3 399.472 3.575 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n[nH]1 ZINC000565630453 895772147 /nfs/dbraw/zinc/77/21/47/895772147.db2.gz JGFXNOXGAUQCAK-GFCCVEGCSA-N -1 3 380.452 3.850 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000826186088 895914517 /nfs/dbraw/zinc/91/45/17/895914517.db2.gz DODFPLRGULMWIH-AWEZNQCLSA-N -1 3 394.479 3.828 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000826186088 895914526 /nfs/dbraw/zinc/91/45/26/895914526.db2.gz DODFPLRGULMWIH-AWEZNQCLSA-N -1 3 394.479 3.828 20 0 GHADHM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817932844 895981112 /nfs/dbraw/zinc/98/11/12/895981112.db2.gz XVNYWBGMIOSICR-HNNXBMFYSA-N -1 3 391.265 3.723 20 0 GHADHM Nc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000818000327 895985239 /nfs/dbraw/zinc/98/52/39/895985239.db2.gz OGKXCLJWXPOVID-KRWDZBQOSA-N -1 3 396.422 3.921 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(c3cccc(F)c3F)CC2)c1 ZINC000566074572 896091643 /nfs/dbraw/zinc/09/16/43/896091643.db2.gz PDWVLVHLOOEVME-FQEVSTJZSA-N -1 3 391.414 3.987 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl ZINC001136145129 896169283 /nfs/dbraw/zinc/16/92/83/896169283.db2.gz UTFFXGXJCIBAIP-UHFFFAOYSA-N -1 3 387.288 3.936 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1cccc(C(F)(F)F)c1 ZINC000566443540 896315985 /nfs/dbraw/zinc/31/59/85/896315985.db2.gz VKQXDMPGNPPHTB-ZDUSSCGKSA-N -1 3 395.381 3.666 20 0 GHADHM COc1ccc(Cl)cc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826208403 896321072 /nfs/dbraw/zinc/32/10/72/896321072.db2.gz IPEUCBODICSLQU-UHFFFAOYSA-N -1 3 395.854 3.541 20 0 GHADHM COc1ccc(Cl)cc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826208403 896321087 /nfs/dbraw/zinc/32/10/87/896321087.db2.gz IPEUCBODICSLQU-UHFFFAOYSA-N -1 3 395.854 3.541 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001185779287 914078149 /nfs/dbraw/zinc/07/81/49/914078149.db2.gz FBWLUNINYYBEDI-UHFFFAOYSA-N -1 3 383.379 3.699 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001185779287 914078167 /nfs/dbraw/zinc/07/81/67/914078167.db2.gz FBWLUNINYYBEDI-UHFFFAOYSA-N -1 3 383.379 3.699 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000826247080 896617489 /nfs/dbraw/zinc/61/74/89/896617489.db2.gz SQSRUZFXLFCBAA-CQSZACIVSA-N -1 3 395.772 3.862 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000826247080 896617496 /nfs/dbraw/zinc/61/74/96/896617496.db2.gz SQSRUZFXLFCBAA-CQSZACIVSA-N -1 3 395.772 3.862 20 0 GHADHM COC(=O)[C@H](Cc1ccc(C)cc1)SCc1nnc(-c2ccccc2[O-])o1 ZINC000882162498 896686268 /nfs/dbraw/zinc/68/62/68/896686268.db2.gz RWQSAQGHOOEZJX-KRWDZBQOSA-N -1 3 384.457 3.768 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219795 896714734 /nfs/dbraw/zinc/71/47/34/896714734.db2.gz CMXUUPNRKIEOKM-CYBMUJFWSA-N -1 3 399.285 3.787 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1NC1CCC(OC(=O)Cc2ccsc2)CC1 ZINC000826254368 896741584 /nfs/dbraw/zinc/74/15/84/896741584.db2.gz IDNCNUJOUFZTJU-UHFFFAOYSA-N -1 3 397.504 3.746 20 0 GHADHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc([C@@H](F)C(F)(F)F)cc2)CCOC1 ZINC000882795619 896993453 /nfs/dbraw/zinc/99/34/53/896993453.db2.gz QAWBIJWGGJIIMQ-HUUCEWRRSA-N -1 3 399.406 3.585 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820031895 897124504 /nfs/dbraw/zinc/12/45/04/897124504.db2.gz JKKNNUZVWNZAQD-SFHVURJKSA-N -1 3 382.443 3.545 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820031895 897124510 /nfs/dbraw/zinc/12/45/10/897124510.db2.gz JKKNNUZVWNZAQD-SFHVURJKSA-N -1 3 382.443 3.545 20 0 GHADHM Cc1cncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826319011 897537357 /nfs/dbraw/zinc/53/73/57/897537357.db2.gz KTAFIZDSGSUUIX-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826319011 897537369 /nfs/dbraw/zinc/53/73/69/897537369.db2.gz KTAFIZDSGSUUIX-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM CCOC(=O)CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001136377344 897549126 /nfs/dbraw/zinc/54/91/26/897549126.db2.gz CPQYGCYZNMIJIP-UHFFFAOYSA-N -1 3 381.472 3.735 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc3c(s2)CCCCCC3)c([O-])c1 ZINC001136392499 897589682 /nfs/dbraw/zinc/58/96/82/897589682.db2.gz HCYLTKHSYFRWSR-UHFFFAOYSA-N -1 3 387.505 3.575 20 0 GHADHM Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826324260 897596870 /nfs/dbraw/zinc/59/68/70/897596870.db2.gz KCUIGSPXVGTIKY-LBPRGKRZSA-N -1 3 388.431 3.630 20 0 GHADHM Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826324260 897596885 /nfs/dbraw/zinc/59/68/85/897596885.db2.gz KCUIGSPXVGTIKY-LBPRGKRZSA-N -1 3 388.431 3.630 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@]3(C(=O)[O-])CCC[C@H](C)C3)cs2)cc1 ZINC000568116817 897609171 /nfs/dbraw/zinc/60/91/71/897609171.db2.gz OMIBJBUUESEZRC-XOBRGWDASA-N -1 3 390.505 3.854 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1ccc(Br)cc1-c1nnn[n-]1)CCC2 ZINC000826327943 897641567 /nfs/dbraw/zinc/64/15/67/897641567.db2.gz AIOKIOSJPUFWPM-CYBMUJFWSA-N -1 3 391.298 3.884 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1ccc(Br)cc1-c1nn[n-]n1)CCC2 ZINC000826327943 897641569 /nfs/dbraw/zinc/64/15/69/897641569.db2.gz AIOKIOSJPUFWPM-CYBMUJFWSA-N -1 3 391.298 3.884 20 0 GHADHM COC1CCC(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])CC1 ZINC001185936633 914179531 /nfs/dbraw/zinc/17/95/31/914179531.db2.gz FICZTOUBEVPLNO-UHFFFAOYSA-N -1 3 390.524 3.536 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCOc1ccc(C)c(C)c1 ZINC000821407034 897865148 /nfs/dbraw/zinc/86/51/48/897865148.db2.gz NTOICRGEDUSYOA-UHFFFAOYSA-N -1 3 395.463 3.680 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1ccc(C)c(C)c1 ZINC000821407034 897865159 /nfs/dbraw/zinc/86/51/59/897865159.db2.gz NTOICRGEDUSYOA-UHFFFAOYSA-N -1 3 395.463 3.680 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)s2)cs1 ZINC001275484102 914202384 /nfs/dbraw/zinc/20/23/84/914202384.db2.gz VUGSCSASRJUPPV-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM Cc1nc(-c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)s2)cs1 ZINC001275484102 914202398 /nfs/dbraw/zinc/20/23/98/914202398.db2.gz VUGSCSASRJUPPV-UHFFFAOYSA-N -1 3 386.437 3.752 20 0 GHADHM COc1ccc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(OC)c1 ZINC001136453017 897922011 /nfs/dbraw/zinc/92/20/11/897922011.db2.gz QOEACLZFAPNKHY-UHFFFAOYSA-N -1 3 391.467 3.973 20 0 GHADHM COc1ccc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c(C)n1 ZINC001185929820 914209081 /nfs/dbraw/zinc/20/90/81/914209081.db2.gz LQHPZWUNBWLILV-UHFFFAOYSA-N -1 3 399.491 3.813 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1cc2ccccn2n1 ZINC001185931069 914211593 /nfs/dbraw/zinc/21/15/93/914211593.db2.gz QEBMIVKMPANYAA-UHFFFAOYSA-N -1 3 394.475 3.749 20 0 GHADHM O=C([N-]c1cc(F)ccc1Cl)c1sccc1S(=O)(=O)N1CCCC1 ZINC000102741228 898028045 /nfs/dbraw/zinc/02/80/45/898028045.db2.gz QTUOBKADADNJLF-UHFFFAOYSA-N -1 3 388.873 3.577 20 0 GHADHM CCn1ncc2ccc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[n-]3)cc21 ZINC001136500579 898077447 /nfs/dbraw/zinc/07/74/47/898077447.db2.gz STDYDUZTZGEOOU-UHFFFAOYSA-N -1 3 388.427 3.994 20 0 GHADHM C=C/C=C\CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000883912870 898158035 /nfs/dbraw/zinc/15/80/35/898158035.db2.gz FILFIHFCKZSMLV-ARJAWSKDSA-N -1 3 377.872 3.538 20 0 GHADHM FC(F)(F)c1cc(SCc2nnsc2Cl)ccc1-c1nnn[n-]1 ZINC000826368118 898163979 /nfs/dbraw/zinc/16/39/79/898163979.db2.gz CGNHUSKJSZJSMF-UHFFFAOYSA-N -1 3 378.792 3.683 20 0 GHADHM FC(F)(F)c1cc(SCc2nnsc2Cl)ccc1-c1nn[n-]n1 ZINC000826368118 898163985 /nfs/dbraw/zinc/16/39/85/898163985.db2.gz CGNHUSKJSZJSMF-UHFFFAOYSA-N -1 3 378.792 3.683 20 0 GHADHM FC(F)(F)COCCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826367905 898172003 /nfs/dbraw/zinc/17/20/03/898172003.db2.gz TWVCQALTQVLAMY-UHFFFAOYSA-N -1 3 380.326 3.617 20 0 GHADHM FC(F)(F)COCCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826367905 898172016 /nfs/dbraw/zinc/17/20/16/898172016.db2.gz TWVCQALTQVLAMY-UHFFFAOYSA-N -1 3 380.326 3.617 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(OC[C@H]4CCOC4)CC3)c2c1 ZINC000568888145 898190638 /nfs/dbraw/zinc/19/06/38/898190638.db2.gz ZVAPQSYUXPKCCM-INIZCTEOSA-N -1 3 384.476 3.572 20 0 GHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)o1 ZINC000568935491 898223760 /nfs/dbraw/zinc/22/37/60/898223760.db2.gz ZLJSQGZFBLLILC-NSHDSACASA-N -1 3 393.852 3.863 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822462588 898387764 /nfs/dbraw/zinc/38/77/64/898387764.db2.gz JCTFRJFJKZRMQL-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM Cc1nc2ccccc2n1CCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822462588 898387776 /nfs/dbraw/zinc/38/77/76/898387776.db2.gz JCTFRJFJKZRMQL-UHFFFAOYSA-N -1 3 384.447 3.575 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000800068881 898553570 /nfs/dbraw/zinc/55/35/70/898553570.db2.gz BWYURYBEYBWIQM-BZYZDCJZSA-N -1 3 391.399 3.666 20 0 GHADHM Cn1cnc2cc(NC(=O)c3ccccc3-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000822699084 898573279 /nfs/dbraw/zinc/57/32/79/898573279.db2.gz NPZVJQADUWEANZ-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM Cn1cnc2cc(NC(=O)c3ccccc3-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000822699084 898573288 /nfs/dbraw/zinc/57/32/88/898573288.db2.gz NPZVJQADUWEANZ-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OC[C@@H](F)C(F)(F)F ZINC000800135755 898645812 /nfs/dbraw/zinc/64/58/12/898645812.db2.gz GNMLTOAFLMRJOR-JKSUJKDBSA-N -1 3 399.340 3.697 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000569913716 899022327 /nfs/dbraw/zinc/02/23/27/899022327.db2.gz FOJGVBUDRAXEAE-UHFFFAOYSA-N -1 3 383.473 3.696 20 0 GHADHM CCc1ccc(-c2nc(C[C@@](O)(c3ccc(C)o3)C(F)(F)F)no2)c([O-])c1 ZINC000289720548 914312348 /nfs/dbraw/zinc/31/23/48/914312348.db2.gz NCWDOJQTAREMSC-QGZVFWFLSA-N -1 3 382.338 3.899 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1 ZINC000116159898 899252199 /nfs/dbraw/zinc/25/21/99/899252199.db2.gz FGVPFBGHZYNOJM-XMMPIXPASA-N -1 3 381.519 3.543 20 0 GHADHM c1ccc2nc(NCc3ccnc(OC4CCCC4)c3)c(-c3nnn[n-]3)cc2c1 ZINC000823802564 899267860 /nfs/dbraw/zinc/26/78/60/899267860.db2.gz SNGFUFDYTJMFHM-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1ccc2nc(NCc3ccnc(OC4CCCC4)c3)c(-c3nn[n-]n3)cc2c1 ZINC000823802564 899267878 /nfs/dbraw/zinc/26/78/78/899267878.db2.gz SNGFUFDYTJMFHM-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM Brc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823832279 899271541 /nfs/dbraw/zinc/27/15/41/899271541.db2.gz KOSOMMHYVFPCRN-CYBMUJFWSA-N -1 3 392.301 3.923 20 0 GHADHM Brc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823832279 899271550 /nfs/dbraw/zinc/27/15/50/899271550.db2.gz KOSOMMHYVFPCRN-CYBMUJFWSA-N -1 3 392.301 3.923 20 0 GHADHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000570378151 899290071 /nfs/dbraw/zinc/29/00/71/899290071.db2.gz LPXBPBFDCKQTHO-GFCCVEGCSA-N -1 3 388.320 3.607 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823943109 899324870 /nfs/dbraw/zinc/32/48/70/899324870.db2.gz NITMJLLTYKXHMD-BMRADRMJSA-N -1 3 385.471 3.894 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823943109 899324885 /nfs/dbraw/zinc/32/48/85/899324885.db2.gz NITMJLLTYKXHMD-BMRADRMJSA-N -1 3 385.471 3.894 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000570506983 899350876 /nfs/dbraw/zinc/35/08/76/899350876.db2.gz ARQILWCPESKJNG-LJQANCHMSA-N -1 3 392.503 3.779 20 0 GHADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C1CCOCC1 ZINC000824053393 899363599 /nfs/dbraw/zinc/36/35/99/899363599.db2.gz XYKATPOBBZMBOX-LBPRGKRZSA-N -1 3 383.477 3.596 20 0 GHADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C1CCOCC1 ZINC000824053393 899363612 /nfs/dbraw/zinc/36/36/12/899363612.db2.gz XYKATPOBBZMBOX-LBPRGKRZSA-N -1 3 383.477 3.596 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1[O-] ZINC000570536612 899368565 /nfs/dbraw/zinc/36/85/65/899368565.db2.gz RPRZNAOZORHTPK-LLVKDONJSA-N -1 3 378.222 3.763 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC000824119259 899392815 /nfs/dbraw/zinc/39/28/15/899392815.db2.gz FAXHBPWYYRFOQH-UHFFFAOYSA-N -1 3 379.392 3.636 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000824119259 899392828 /nfs/dbraw/zinc/39/28/28/899392828.db2.gz FAXHBPWYYRFOQH-UHFFFAOYSA-N -1 3 379.392 3.636 20 0 GHADHM CC(C)Cn1ncc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1C(C)C ZINC000824285046 899484998 /nfs/dbraw/zinc/48/49/98/899484998.db2.gz UTUMNCQXXFOQLZ-UHFFFAOYSA-N -1 3 384.513 3.652 20 0 GHADHM CC(C)Cn1ncc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1C(C)C ZINC000824285046 899485004 /nfs/dbraw/zinc/48/50/04/899485004.db2.gz UTUMNCQXXFOQLZ-UHFFFAOYSA-N -1 3 384.513 3.652 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(C(=O)[N-]c2cccc(F)c2F)on1 ZINC000824257613 899498422 /nfs/dbraw/zinc/49/84/22/899498422.db2.gz ZZCHILGZENQNEM-UHFFFAOYSA-N -1 3 381.379 3.965 20 0 GHADHM CC(C)SCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824337752 899537606 /nfs/dbraw/zinc/53/76/06/899537606.db2.gz FUIDUYGPTCPGNN-AWEZNQCLSA-N -1 3 381.505 3.853 20 0 GHADHM CC(C)SCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824337752 899537609 /nfs/dbraw/zinc/53/76/09/899537609.db2.gz FUIDUYGPTCPGNN-AWEZNQCLSA-N -1 3 381.505 3.853 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2C)c1C ZINC000332356294 899600818 /nfs/dbraw/zinc/60/08/18/899600818.db2.gz ZQXBFTJKUNJAJF-UHFFFAOYSA-N -1 3 387.505 3.559 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)c1cccnc1 ZINC000824470422 899649548 /nfs/dbraw/zinc/64/95/48/899649548.db2.gz IDHNDDBZNCQROL-CVEARBPZSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)c1cccnc1 ZINC000824470422 899649554 /nfs/dbraw/zinc/64/95/54/899649554.db2.gz IDHNDDBZNCQROL-CVEARBPZSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@H](Nc1ccc(Br)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000824656176 899740882 /nfs/dbraw/zinc/74/08/82/899740882.db2.gz IPUUYNVGSMXHKB-VIFPVBQESA-N -1 3 384.241 3.679 20 0 GHADHM C[C@H](Nc1ccc(Br)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000824656176 899740892 /nfs/dbraw/zinc/74/08/92/899740892.db2.gz IPUUYNVGSMXHKB-VIFPVBQESA-N -1 3 384.241 3.679 20 0 GHADHM C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824663433 899751060 /nfs/dbraw/zinc/75/10/60/899751060.db2.gz ZHIHUMNINJVDMJ-LLVKDONJSA-N -1 3 393.838 3.856 20 0 GHADHM C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824663433 899751064 /nfs/dbraw/zinc/75/10/64/899751064.db2.gz ZHIHUMNINJVDMJ-LLVKDONJSA-N -1 3 393.838 3.856 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccccc2)sc1Br ZINC001186237791 914377895 /nfs/dbraw/zinc/37/78/95/914377895.db2.gz VKJFKDUWVYXYMH-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707364 899778237 /nfs/dbraw/zinc/77/82/37/899778237.db2.gz RCSWAKRUUMRCBC-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707364 899778241 /nfs/dbraw/zinc/77/82/41/899778241.db2.gz RCSWAKRUUMRCBC-BJOHPYRUSA-N -1 3 393.230 3.511 20 0 GHADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000571310480 899823112 /nfs/dbraw/zinc/82/31/12/899823112.db2.gz QPRIFEDCJYIWLN-AWEZNQCLSA-N -1 3 375.387 3.834 20 0 GHADHM CCN(CC)C(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000120502536 899829567 /nfs/dbraw/zinc/82/95/67/899829567.db2.gz YKYRNCWEDAEMMV-LLVKDONJSA-N -1 3 391.518 3.907 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)c(Br)cc1C ZINC000824905872 899871396 /nfs/dbraw/zinc/87/13/96/899871396.db2.gz HGBAXAWTRMGXTD-UHFFFAOYSA-N -1 3 393.665 3.806 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000824905872 899871402 /nfs/dbraw/zinc/87/14/02/899871402.db2.gz HGBAXAWTRMGXTD-UHFFFAOYSA-N -1 3 393.665 3.806 20 0 GHADHM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000824883916 899884909 /nfs/dbraw/zinc/88/49/09/899884909.db2.gz PVNOFJMQNQCBRA-HNNXBMFYSA-N -1 3 378.538 3.663 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000824946138 899901337 /nfs/dbraw/zinc/90/13/37/899901337.db2.gz HWTPMHOWMSZQAY-PIGZYNQJSA-N -1 3 385.830 3.883 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]1c1cccc(F)c1 ZINC000824946138 899901341 /nfs/dbraw/zinc/90/13/41/899901341.db2.gz HWTPMHOWMSZQAY-PIGZYNQJSA-N -1 3 385.830 3.883 20 0 GHADHM O=C(c1ccc([O-])c(F)c1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001186218125 914393085 /nfs/dbraw/zinc/39/30/85/914393085.db2.gz FALNHYMFESPJQM-UHFFFAOYSA-N -1 3 385.826 3.695 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000825053051 899955252 /nfs/dbraw/zinc/95/52/52/899955252.db2.gz ZPFPNPIBBIDGTG-LLVKDONJSA-N -1 3 399.886 3.820 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000825053051 899955257 /nfs/dbraw/zinc/95/52/57/899955257.db2.gz ZPFPNPIBBIDGTG-LLVKDONJSA-N -1 3 399.886 3.820 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001186262134 914396788 /nfs/dbraw/zinc/39/67/88/914396788.db2.gz UMHHGUDYHLWOJZ-XJKSGUPXSA-N -1 3 385.501 3.743 20 0 GHADHM CCC(CC)n1nc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000825114504 899987756 /nfs/dbraw/zinc/98/77/56/899987756.db2.gz NKEYEESODRISGJ-UHFFFAOYSA-N -1 3 395.511 3.784 20 0 GHADHM CCC(CC)n1nc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000825114504 899987766 /nfs/dbraw/zinc/98/77/66/899987766.db2.gz NKEYEESODRISGJ-UHFFFAOYSA-N -1 3 395.511 3.784 20 0 GHADHM CC[C@@H]1C[C@H](OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184348 900016107 /nfs/dbraw/zinc/01/61/07/900016107.db2.gz SGHNLVVILXOVTQ-HUUCEWRRSA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@@H]1C[C@H](OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184348 900016111 /nfs/dbraw/zinc/01/61/11/900016111.db2.gz SGHNLVVILXOVTQ-HUUCEWRRSA-N -1 3 394.431 3.773 20 0 GHADHM CCCCC[C@@H](CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825265702 900060834 /nfs/dbraw/zinc/06/08/34/900060834.db2.gz ACOBVGWBMHJRFA-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825297558 900077085 /nfs/dbraw/zinc/07/70/85/900077085.db2.gz AFUSNIRZEYVXBX-RUMSDORHSA-N -1 3 381.476 3.957 20 0 GHADHM Cc1ccc(CNCc2cccc([O-])c2Br)c(O[C@@H]2CCOC2)c1 ZINC000572220935 900109955 /nfs/dbraw/zinc/10/99/55/900109955.db2.gz XYVROJOQANZBTL-MRXNPFEDSA-N -1 3 392.293 3.921 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000572235000 900112355 /nfs/dbraw/zinc/11/23/55/900112355.db2.gz QTBIRCCGOCLFAR-UHFFFAOYSA-N -1 3 386.517 3.979 20 0 GHADHM CCN(C(=O)Cc1cccc(OC(C)C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376372 900133400 /nfs/dbraw/zinc/13/34/00/900133400.db2.gz GCMDCKDAKMFOKG-UHFFFAOYSA-N -1 3 399.882 3.903 20 0 GHADHM CCN(C(=O)Cc1cccc(OC(C)C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376372 900133403 /nfs/dbraw/zinc/13/34/03/900133403.db2.gz GCMDCKDAKMFOKG-UHFFFAOYSA-N -1 3 399.882 3.903 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000884588725 900186127 /nfs/dbraw/zinc/18/61/27/900186127.db2.gz LURWGQIAJZQDCK-JEBQAFNWSA-N -1 3 382.803 3.725 20 0 GHADHM CO[C@@H](CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000572533937 900215546 /nfs/dbraw/zinc/21/55/46/900215546.db2.gz FXKUGZMTINFHDD-MSOLQXFVSA-N -1 3 390.277 3.648 20 0 GHADHM O=S(=O)([N-]CCCc1nccs1)c1ccc(Cl)cc1C(F)(F)F ZINC000572923980 900315207 /nfs/dbraw/zinc/31/52/07/900315207.db2.gz ZDUDIQHWMDBLPB-UHFFFAOYSA-N -1 3 384.832 3.726 20 0 GHADHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000135600996 900326516 /nfs/dbraw/zinc/32/65/16/900326516.db2.gz HPNLHALNCBCUOZ-UHFFFAOYSA-N -1 3 391.754 3.830 20 0 GHADHM Cc1ccc(C(F)(F)F)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001143683410 900346005 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GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CCCCS1 ZINC000826457132 900650638 /nfs/dbraw/zinc/65/06/38/900650638.db2.gz NGCBWQNZUODUCL-KRWDZBQOSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CCCCS1 ZINC000826457132 900650647 /nfs/dbraw/zinc/65/06/47/900650647.db2.gz NGCBWQNZUODUCL-KRWDZBQOSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ncc(C2CCCCC2)s1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826459855 900671152 /nfs/dbraw/zinc/67/11/52/900671152.db2.gz BYCFMOAQSZUVCX-UHFFFAOYSA-N -1 3 390.419 3.901 20 0 GHADHM O=C(Nc1ncc(C2CCCCC2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826459855 900671158 /nfs/dbraw/zinc/67/11/58/900671158.db2.gz BYCFMOAQSZUVCX-UHFFFAOYSA-N -1 3 390.419 3.901 20 0 GHADHM CCOC(=O)c1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000573888753 900688395 /nfs/dbraw/zinc/68/83/95/900688395.db2.gz VKMOWCUXLAPCAY-UHFFFAOYSA-N -1 3 391.427 3.841 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)nn2c1OCCC2 ZINC000573911313 900700640 /nfs/dbraw/zinc/70/06/40/900700640.db2.gz FQNCLRVENZBDFV-UHFFFAOYSA-N -1 3 387.490 3.537 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000574429905 900886566 /nfs/dbraw/zinc/88/65/66/900886566.db2.gz CJHNQLIIDKSJLV-BJOHPYRUSA-N -1 3 375.343 3.645 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(Br)cc1C ZINC000886399164 900978552 /nfs/dbraw/zinc/97/85/52/900978552.db2.gz IQMHVOIEUQHWHN-UHFFFAOYSA-N -1 3 394.241 3.669 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(O)(c2cccc3ccccc32)C1 ZINC001144145848 901124724 /nfs/dbraw/zinc/12/47/24/901124724.db2.gz DWSDZCCGFVYOJI-UHFFFAOYSA-N -1 3 379.431 3.737 20 0 GHADHM CC(C)Cc1ccc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001144248637 901366517 /nfs/dbraw/zinc/36/65/17/901366517.db2.gz VKMCFQUMJAAQJR-UHFFFAOYSA-N -1 3 377.492 3.704 20 0 GHADHM CC(C)Cc1ccc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001144248637 901366527 /nfs/dbraw/zinc/36/65/27/901366527.db2.gz VKMCFQUMJAAQJR-UHFFFAOYSA-N -1 3 377.492 3.704 20 0 GHADHM Cc1nc(C[N-]C(=O)C(F)(F)c2ccccc2Br)sc1C ZINC000826531567 901414884 /nfs/dbraw/zinc/41/48/84/901414884.db2.gz YCAMZDGVRCYUAL-UHFFFAOYSA-N -1 3 375.238 3.931 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000844849691 901433129 /nfs/dbraw/zinc/43/31/29/901433129.db2.gz OGHHQFMDRHODDS-PBHICJAKSA-N -1 3 392.496 3.556 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2ncsc2Br)c(F)cc1C ZINC000576070013 901646623 /nfs/dbraw/zinc/64/66/23/901646623.db2.gz HNIUAAKVWZIGLD-UHFFFAOYSA-N -1 3 387.230 3.782 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000576285404 901913632 /nfs/dbraw/zinc/91/36/32/901913632.db2.gz GJSRLIPWQKWIHF-XLIONFOSSA-N -1 3 380.488 3.659 20 0 GHADHM CCOC(=O)c1noc(NC(=O)Cc2ccc([O-])c(F)c2)c1-c1ccccc1 ZINC001144623851 902522245 /nfs/dbraw/zinc/52/22/45/902522245.db2.gz SVHLDMQFHQZNPY-UHFFFAOYSA-N -1 3 384.363 3.544 20 0 GHADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000290343372 914635953 /nfs/dbraw/zinc/63/59/53/914635953.db2.gz DWBPQJZJCQGQRQ-CQSZACIVSA-N -1 3 380.853 3.656 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000846240580 902816548 /nfs/dbraw/zinc/81/65/48/902816548.db2.gz NMGYYSGLLBUIJR-FLSMSTFGSA-N -1 3 381.472 3.844 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000846243218 902818835 /nfs/dbraw/zinc/81/88/35/902818835.db2.gz DPTGMDRGELMRBP-NJTIBFSMSA-N -1 3 399.462 3.984 20 0 GHADHM CCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000264128762 902861424 /nfs/dbraw/zinc/86/14/24/902861424.db2.gz DTZLLOFMLQQDCL-OAHLLOKOSA-N -1 3 399.491 3.802 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000779016665 902873973 /nfs/dbraw/zinc/87/39/73/902873973.db2.gz FOYPPZLXNSXRJU-ZBFHGGJFSA-N -1 3 376.497 3.891 20 0 GHADHM O=C(NCCc1cccc2ccccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001144870965 903063203 /nfs/dbraw/zinc/06/32/03/903063203.db2.gz ZMIBWWJUQOXBKH-UHFFFAOYSA-N -1 3 378.378 3.932 20 0 GHADHM COc1ccc(C(C)(C)CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000264465457 903112955 /nfs/dbraw/zinc/11/29/55/903112955.db2.gz HGTBGKOQCVXKNT-UHFFFAOYSA-N -1 3 380.444 3.665 20 0 GHADHM COC(=O)[C@](C)([N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccccc1 ZINC001186666730 914687783 /nfs/dbraw/zinc/68/77/83/914687783.db2.gz QBMYIQMMYCWOOL-JOCHJYFZSA-N -1 3 395.480 3.720 20 0 GHADHM COc1ccc([C@@H](Cc2ccccc2)NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000577787417 903190779 /nfs/dbraw/zinc/19/07/79/903190779.db2.gz OTDWTNVRTAAVLE-OAQYLSRUSA-N -1 3 386.455 3.870 20 0 GHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000134459367 903516635 /nfs/dbraw/zinc/51/66/35/903516635.db2.gz TXPVTUDSXIZWDG-UHFFFAOYSA-N -1 3 378.519 3.660 20 0 GHADHM O=C(CC[C@](F)(Cl)C(F)(F)Br)[N-]C1(C(F)(F)F)CC1 ZINC001146413962 903531203 /nfs/dbraw/zinc/53/12/03/903531203.db2.gz WPBNBQPBBUVCRB-SSDOTTSWSA-N -1 3 376.522 3.870 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001146528105 903555849 /nfs/dbraw/zinc/55/58/49/903555849.db2.gz QPYFFVWADAJVOP-CQSZACIVSA-N -1 3 396.528 3.745 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001146528103 903556133 /nfs/dbraw/zinc/55/61/33/903556133.db2.gz QPYFFVWADAJVOP-AWEZNQCLSA-N -1 3 396.528 3.745 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(C)c1 ZINC000887708258 903560639 /nfs/dbraw/zinc/56/06/39/903560639.db2.gz PTLWTTBZPKGRQW-LLVKDONJSA-N -1 3 378.523 3.992 20 0 GHADHM CCc1ccc([O-])c(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1 ZINC000839825652 903671485 /nfs/dbraw/zinc/67/14/85/903671485.db2.gz OYLYTQACHRYJLM-KRWDZBQOSA-N -1 3 378.266 3.523 20 0 GHADHM COc1cccc(Nc2ccc(NC(=O)c3c(C)[n-]c(=O)nc3SC)nc2)c1 ZINC001147499843 903807355 /nfs/dbraw/zinc/80/73/55/903807355.db2.gz KNMHICLHRJMWAC-UHFFFAOYSA-N -1 3 397.460 3.612 20 0 GHADHM O=C(Nc1ccc(Br)c2ncccc12)c1cc(=O)[n-]c(C2CC2)n1 ZINC001147663141 903844255 /nfs/dbraw/zinc/84/42/55/903844255.db2.gz QORLURFENMWSJK-UHFFFAOYSA-N -1 3 385.221 3.623 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccc(Cl)cc1 ZINC000302634336 903862105 /nfs/dbraw/zinc/86/21/05/903862105.db2.gz UJQCDIUZTPWFNA-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC001186741771 914758531 /nfs/dbraw/zinc/75/85/31/914758531.db2.gz IEGAGXCXMYTSRK-LFPIHBKWSA-N -1 3 398.575 3.851 20 0 GHADHM CO[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc(Cl)cc1 ZINC001147978720 903926953 /nfs/dbraw/zinc/92/69/53/903926953.db2.gz YJEVNGMPAUSEMR-MRXNPFEDSA-N -1 3 391.254 3.952 20 0 GHADHM O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646673047 914762859 /nfs/dbraw/zinc/76/28/59/914762859.db2.gz IXYQPTKGQSFENJ-UHFFFAOYSA-N -1 3 378.363 3.525 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000578616899 904011199 /nfs/dbraw/zinc/01/11/99/904011199.db2.gz JLSBOYSACOVTHG-OAQYLSRUSA-N -1 3 378.472 3.656 20 0 GHADHM COc1nsc(C[N-]C(=O)C(F)(F)c2ccccc2C)c1Br ZINC001148349517 904047206 /nfs/dbraw/zinc/04/72/06/904047206.db2.gz WGBWBDGAPDGKPD-UHFFFAOYSA-N -1 3 391.237 3.631 20 0 GHADHM CC(=O)c1cc(C(=O)N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ccc1[O-] ZINC001148663446 904164250 /nfs/dbraw/zinc/16/42/50/904164250.db2.gz ZOLFFRBNFLNJQH-QHCPKHFHSA-N -1 3 396.462 3.615 20 0 GHADHM O=S(=O)([N-]c1cccnc1Cl)c1cc(F)c(Br)cc1F ZINC000159919863 904333374 /nfs/dbraw/zinc/33/33/74/904333374.db2.gz UEWXXDNOCOIGFW-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c2ccccc2n1C ZINC000579094159 904345501 /nfs/dbraw/zinc/34/55/01/904345501.db2.gz RSHLUNQSYUBCOW-GOSISDBHSA-N -1 3 399.516 3.673 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cs1 ZINC000579520141 904669715 /nfs/dbraw/zinc/66/97/15/904669715.db2.gz WONLFKWDFKNVGY-UHFFFAOYSA-N -1 3 381.809 3.927 20 0 GHADHM COc1cc([C@@H](C)NC(=O)N=c2cc3ccccn3[n-]2)ccc1OC1CCCC1 ZINC000579629485 904756138 /nfs/dbraw/zinc/75/61/38/904756138.db2.gz KTQSBPMXBCYOQF-OAHLLOKOSA-N -1 3 394.475 3.969 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccc(F)c3)C2)sc1Cl ZINC001186887083 914855106 /nfs/dbraw/zinc/85/51/06/914855106.db2.gz YGAQQZHFLYGDFV-CYBMUJFWSA-N -1 3 388.917 3.796 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@H](C)Cc3ccccc3C)c(=O)c2c(OC)c1 ZINC000626678108 905223662 /nfs/dbraw/zinc/22/36/62/905223662.db2.gz IJWDKFDOORNQTG-OAHLLOKOSA-N -1 3 394.471 3.557 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccc(C)c(OC(C)C)c3)c([O-])c2c(OC)c1 ZINC000626684757 905228064 /nfs/dbraw/zinc/22/80/64/905228064.db2.gz BGJKHENQBRZMCE-UHFFFAOYSA-N -1 3 396.443 3.893 20 0 GHADHM COc1cccc(-c2noc([C@H](C)N[C@@H]3CCC[C@@H](C(F)(F)C(=O)[O-])C3)n2)c1 ZINC000901464140 921134394 /nfs/dbraw/zinc/13/43/94/921134394.db2.gz GJHQXTSGHMEYJS-IACUBPJLSA-N -1 3 395.406 3.675 20 0 GHADHM FC(F)(F)c1nn[n-]c1-c1nc(-c2ccc(Cl)c(Br)c2)no1 ZINC001212652673 905482491 /nfs/dbraw/zinc/48/24/91/905482491.db2.gz BLBCACGSZCVPNP-UHFFFAOYSA-N -1 3 394.538 3.956 20 0 GHADHM FC(F)(F)c1[n-]nnc1-c1nc(-c2ccc(Cl)c(Br)c2)no1 ZINC001212652673 905482498 /nfs/dbraw/zinc/48/24/98/905482498.db2.gz BLBCACGSZCVPNP-UHFFFAOYSA-N -1 3 394.538 3.956 20 0 GHADHM C[C@@H](CCc1c(F)cc(Cl)cc1F)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172575178 905635748 /nfs/dbraw/zinc/63/57/48/905635748.db2.gz IBSGTAICWIUDFL-LURJTMIESA-N -1 3 386.811 3.509 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000175716919 905644166 /nfs/dbraw/zinc/64/41/66/905644166.db2.gz GTGMSDZZAGMDCL-GXTWGEPZSA-N -1 3 375.900 3.623 20 0 GHADHM Cc1ccc(CN2CC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000190196731 905848462 /nfs/dbraw/zinc/84/84/62/905848462.db2.gz VFIUXNXXWVSOJM-LASGFXPTSA-N -1 3 387.277 3.683 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000901521647 921197489 /nfs/dbraw/zinc/19/74/89/921197489.db2.gz DFHNJRHYCJZYNR-LLVKDONJSA-N -1 3 381.270 3.913 20 0 GHADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000901523133 921199916 /nfs/dbraw/zinc/19/99/16/921199916.db2.gz CXQXCGYWCHKXSK-OAHLLOKOSA-N -1 3 386.839 3.727 20 0 GHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000901525703 921204335 /nfs/dbraw/zinc/20/43/35/921204335.db2.gz UYECFENAZKCRCC-UGSOOPFHSA-N -1 3 390.281 3.526 20 0 GHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000190655957 906210736 /nfs/dbraw/zinc/21/07/36/906210736.db2.gz RJWUJSBAQACRMK-KRWDZBQOSA-N -1 3 381.388 3.688 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cccnc3C3CC3)c2)ccc1O ZINC001212738952 906537223 /nfs/dbraw/zinc/53/72/23/906537223.db2.gz QZEBBNNGKPNHHI-UHFFFAOYSA-N -1 3 397.456 3.529 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1C ZINC000629332122 906714161 /nfs/dbraw/zinc/71/41/61/906714161.db2.gz FNVYQVIDJJXQOX-GFCCVEGCSA-N -1 3 388.489 3.583 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@@H]2CCC[C@@H]21 ZINC000629374145 906746757 /nfs/dbraw/zinc/74/67/57/906746757.db2.gz SKHDXUYELOYGAC-RBSFLKMASA-N -1 3 395.381 3.831 20 0 GHADHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c(Br)c1OC ZINC000629374414 906748703 /nfs/dbraw/zinc/74/87/03/906748703.db2.gz RZMCHWNFYDGFAB-MELADBBJSA-N -1 3 398.297 3.542 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000629496874 906831559 /nfs/dbraw/zinc/83/15/59/906831559.db2.gz YNYXCSSYIYECGG-AHRSYUTCSA-N -1 3 386.536 3.690 20 0 GHADHM COC[C@@H](C)N(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CCc2ccccc21 ZINC000629745627 907005417 /nfs/dbraw/zinc/00/54/17/907005417.db2.gz AYPCCTYAKVOIIM-KDOFPFPSSA-N -1 3 385.460 3.574 20 0 GHADHM CCOc1nnc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)[n-]1 ZINC001174745726 907205147 /nfs/dbraw/zinc/20/51/47/907205147.db2.gz UBXZNOSKQXPMSU-UHFFFAOYSA-N -1 3 397.382 3.906 20 0 GHADHM CCOc1nc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n[n-]1 ZINC001174745726 907205154 /nfs/dbraw/zinc/20/51/54/907205154.db2.gz UBXZNOSKQXPMSU-UHFFFAOYSA-N -1 3 397.382 3.906 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1 ZINC001174745726 907205168 /nfs/dbraw/zinc/20/51/68/907205168.db2.gz UBXZNOSKQXPMSU-UHFFFAOYSA-N -1 3 397.382 3.906 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccccc1F)C(C)C ZINC000299413821 921308525 /nfs/dbraw/zinc/30/85/25/921308525.db2.gz DYFDYRGCPARPNX-UHFFFAOYSA-N -1 3 394.450 3.671 20 0 GHADHM COc1cccc(C[C@H](NCc2c(Cl)cccc2OC(F)F)C(=O)[O-])c1 ZINC000630464384 907293052 /nfs/dbraw/zinc/29/30/52/907293052.db2.gz WSQVQEFNRIAXDR-HNNXBMFYSA-N -1 3 385.794 3.736 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)n1 ZINC001174974546 907296084 /nfs/dbraw/zinc/29/60/84/907296084.db2.gz FLCCBHKIEZKMQP-INIZCTEOSA-N -1 3 377.492 3.822 20 0 GHADHM [O-]c1cc(F)c(Nc2cc3c(cc2I)OCO3)c(F)c1 ZINC001175102941 907359066 /nfs/dbraw/zinc/35/90/66/907359066.db2.gz PRBXEBGWTQZGDX-UHFFFAOYSA-N -1 3 391.111 3.747 20 0 GHADHM [O-]c1ccc(F)c(Nc2cncnc2[C@H]2CN(Cc3ccccc3)CCO2)c1F ZINC001175261211 907474797 /nfs/dbraw/zinc/47/47/97/907474797.db2.gz GPGKZONGEQFPGZ-GOSISDBHSA-N -1 3 398.413 3.778 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccccc1CN1CCSCC1 ZINC000630857694 907475209 /nfs/dbraw/zinc/47/52/09/907475209.db2.gz OXGURGGGFHSJEG-UHFFFAOYSA-N -1 3 376.909 3.776 20 0 GHADHM [O-]c1ccc(F)c(Nc2cnc3c(Cl)nc(Br)cn23)c1F ZINC001175265629 907476377 /nfs/dbraw/zinc/47/63/77/907476377.db2.gz JMHCQMWXFHOFOJ-UHFFFAOYSA-N -1 3 375.560 3.873 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1c(F)c(F)c(F)c(F)c1F ZINC001175386816 907531704 /nfs/dbraw/zinc/53/17/04/907531704.db2.gz FJPNWXCVFAYXTJ-UHFFFAOYSA-N -1 3 391.321 3.743 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1c(F)c(F)c(F)c(F)c1F ZINC001175386816 907531721 /nfs/dbraw/zinc/53/17/21/907531721.db2.gz FJPNWXCVFAYXTJ-UHFFFAOYSA-N -1 3 391.321 3.743 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)cc2)cc(=O)[n-]1 ZINC000630952073 907546375 /nfs/dbraw/zinc/54/63/75/907546375.db2.gz VWUDZPMTNBBJMS-NRFANRHFSA-N -1 3 380.448 3.553 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000184581355 907613409 /nfs/dbraw/zinc/61/34/09/907613409.db2.gz KOPQALJUPQWOEU-PNPHSEOMSA-N -1 3 383.448 3.592 20 0 GHADHM O=C([N-]Cc1nc2c(cccc2F)[nH]1)C(F)(F)c1ccccc1Br ZINC001175742392 907715646 /nfs/dbraw/zinc/71/56/46/907715646.db2.gz IPSNVHGIBOOHIM-UHFFFAOYSA-N -1 3 398.182 3.873 20 0 GHADHM COc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)c(OCc2cccnc2)c1 ZINC000901553735 921354643 /nfs/dbraw/zinc/35/46/43/921354643.db2.gz ZYBHBYBFSCEUPH-QGZVFWFLSA-N -1 3 384.476 3.746 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(O)cc1C(F)(F)F)OCC ZINC001176339378 908040248 /nfs/dbraw/zinc/04/02/48/908040248.db2.gz FZVAUKCPXZOWFC-UHFFFAOYSA-N -1 3 387.358 3.592 20 0 GHADHM [O-]c1cccc(Nc2ccc(CN3CCOCC3)cc2F)c1Br ZINC001176490406 908134669 /nfs/dbraw/zinc/13/46/69/908134669.db2.gz KNFQAYVRTGFLAU-UHFFFAOYSA-N -1 3 381.245 3.870 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 ZINC001176794607 908253559 /nfs/dbraw/zinc/25/35/59/908253559.db2.gz YDWVLVOHBRICNJ-UHFFFAOYSA-N -1 3 385.807 3.870 20 0 GHADHM CCC1CCC(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000299541822 921427555 /nfs/dbraw/zinc/42/75/55/921427555.db2.gz UOBBWPHMPFJVQG-UHFFFAOYSA-N -1 3 382.508 3.818 20 0 GHADHM CC(=O)CC(C)(C)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000191908099 908693441 /nfs/dbraw/zinc/69/34/41/908693441.db2.gz RYMAWZNCKFLSAJ-UHFFFAOYSA-N -1 3 394.899 3.618 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3ccccc3F)CC2)c1 ZINC000634695880 908805957 /nfs/dbraw/zinc/80/59/57/908805957.db2.gz AOZYGVMXNWEQNR-FQEVSTJZSA-N -1 3 389.423 3.512 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)C=Cc1cccc(Br)c1 ZINC000779807183 908806775 /nfs/dbraw/zinc/80/67/75/908806775.db2.gz ORJMFXLHFNHDRF-AATRIKPKSA-N -1 3 392.225 3.831 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000194190465 908865585 /nfs/dbraw/zinc/86/55/85/908865585.db2.gz GSRZQCIOFGQBAG-HUUCEWRRSA-N -1 3 378.469 3.549 20 0 GHADHM [O-]c1cccc(CNCCOc2ncccc2C(F)(F)F)c1Br ZINC001178228369 908966916 /nfs/dbraw/zinc/96/69/16/908966916.db2.gz DCGJOTPKVWIOBD-UHFFFAOYSA-N -1 3 391.187 3.737 20 0 GHADHM NC(=O)C[C@@H](NCc1cccc([O-])c1Br)c1cccc(Cl)c1 ZINC001178343538 909007171 /nfs/dbraw/zinc/00/71/71/909007171.db2.gz QJKQAKMGCTZWIH-CYBMUJFWSA-N -1 3 383.673 3.514 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901681699 921466678 /nfs/dbraw/zinc/46/66/78/921466678.db2.gz MUJJFOFJPZOVMS-GOSISDBHSA-N -1 3 391.899 3.598 20 0 GHADHM CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1OCCC ZINC000636317930 909535920 /nfs/dbraw/zinc/53/59/20/909535920.db2.gz MCCZRUFIFNSDMU-UHFFFAOYSA-N -1 3 399.491 3.957 20 0 GHADHM CCCOc1ccc(Cl)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318942 909538161 /nfs/dbraw/zinc/53/81/61/909538161.db2.gz FXWXZACDQMLYSQ-UHFFFAOYSA-N -1 3 375.856 3.822 20 0 GHADHM CN(c1ccccc1)c1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cn1 ZINC000636319433 909539499 /nfs/dbraw/zinc/53/94/99/909539499.db2.gz RNCPFZUKEXPLQO-UHFFFAOYSA-N -1 3 389.459 3.543 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319525 909540018 /nfs/dbraw/zinc/54/00/18/909540018.db2.gz QOWXBWJTXZWZOO-HNNXBMFYSA-N -1 3 379.382 3.802 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000267625356 909568242 /nfs/dbraw/zinc/56/82/42/909568242.db2.gz MIEUWPFLKLLRSL-QMMMGPOBSA-N -1 3 381.306 3.636 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1CC(C)C ZINC000268232147 909805794 /nfs/dbraw/zinc/80/57/94/909805794.db2.gz SNDWGZPNKUTATG-GOSISDBHSA-N -1 3 382.508 3.912 20 0 GHADHM CCO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2ccccc2F)[C@H]1Sc1ccccc1 ZINC000901750240 921533577 /nfs/dbraw/zinc/53/35/77/921533577.db2.gz RASMDZDAFWUBLH-WJFTUGDTSA-N -1 3 375.465 3.879 20 0 GHADHM C[C@@H](O)c1cc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)ccc1F ZINC000795382877 910118493 /nfs/dbraw/zinc/11/84/93/910118493.db2.gz YSHQGWRHXOZCQX-LLVKDONJSA-N -1 3 394.399 3.615 20 0 GHADHM COc1cc(CN[C@H](CC(F)(F)F)C(=O)[O-])ccc1OCc1ccccc1 ZINC000901780952 921558192 /nfs/dbraw/zinc/55/81/92/921558192.db2.gz VLAKXSXVYDLOAT-OAHLLOKOSA-N -1 3 383.366 3.769 20 0 GHADHM COCCOc1ccc(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)cc1 ZINC000901797201 921575301 /nfs/dbraw/zinc/57/53/01/921575301.db2.gz BNZAYQHKMPYJCH-UHFFFAOYSA-N -1 3 390.505 3.555 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCc2ccc(Oc3ccccc3)cc2)[n-]1 ZINC001180930591 910434246 /nfs/dbraw/zinc/43/42/46/910434246.db2.gz YYXXOFJKWATEQB-UHFFFAOYSA-N -1 3 379.416 3.950 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCc2ccc(Oc3ccccc3)cc2)c[n-]1 ZINC001180930591 910434251 /nfs/dbraw/zinc/43/42/51/910434251.db2.gz YYXXOFJKWATEQB-UHFFFAOYSA-N -1 3 379.416 3.950 20 0 GHADHM O=C(N[C@@H](CO)c1cc(F)ccc1F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001180935807 910439744 /nfs/dbraw/zinc/43/97/44/910439744.db2.gz CFONDFKRUDBNPQ-FQEVSTJZSA-N -1 3 383.394 3.725 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC001180944439 910449168 /nfs/dbraw/zinc/44/91/68/910449168.db2.gz ZENSOLJYINZICA-UHFFFAOYSA-N -1 3 383.455 3.783 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001180944439 910449176 /nfs/dbraw/zinc/44/91/76/910449176.db2.gz ZENSOLJYINZICA-UHFFFAOYSA-N -1 3 383.455 3.783 20 0 GHADHM C[C@@]1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCC[C@H]1C(=O)[O-] ZINC000901821540 921594809 /nfs/dbraw/zinc/59/48/09/921594809.db2.gz OUUKYBPIALVCRN-SUMWQHHRSA-N -1 3 383.279 3.697 20 0 GHADHM O=c1[n-]c(CN2CCC(Cc3nccs3)CC2)nc2c3ccccc3oc21 ZINC000639985300 910765560 /nfs/dbraw/zinc/76/55/60/910765560.db2.gz YFAIMPLTFXZXOG-UHFFFAOYSA-N -1 3 380.473 3.993 20 0 GHADHM Cc1cccc(CC2CN(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)C2)c1 ZINC000640295215 910957534 /nfs/dbraw/zinc/95/75/34/910957534.db2.gz QZEWSMASQVWUHX-UHFFFAOYSA-N -1 3 386.805 3.536 20 0 GHADHM C[C@H]1CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCc2ccccc21 ZINC000640304017 910962123 /nfs/dbraw/zinc/96/21/23/910962123.db2.gz XYYZREXSGWAZEI-NSHDSACASA-N -1 3 386.805 3.714 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)[n-]1 ZINC000640311057 910963222 /nfs/dbraw/zinc/96/32/22/910963222.db2.gz JFKIXYNFXVUWNB-CQSZACIVSA-N -1 3 399.239 3.642 20 0 GHADHM O=C(Cc1ccc([S-])cc1)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001274599856 911083500 /nfs/dbraw/zinc/08/35/00/911083500.db2.gz IWGMBHHYYXXPKT-UHFFFAOYSA-N -1 3 386.483 3.785 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@H](c1ccc(Br)cc1)C(C)C ZINC001182271373 911379520 /nfs/dbraw/zinc/37/95/20/911379520.db2.gz BNLNWHHLHATEME-ZDUSSCGKSA-N -1 3 394.269 3.727 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@H](c1ccc(Br)cc1)C(C)C ZINC001182271373 911379532 /nfs/dbraw/zinc/37/95/32/911379532.db2.gz BNLNWHHLHATEME-ZDUSSCGKSA-N -1 3 394.269 3.727 20 0 GHADHM O=c1[n-]c(-c2ccccc2)ncc1-c1nc(-c2cccnc2OC(F)F)no1 ZINC001212895568 911393385 /nfs/dbraw/zinc/39/33/85/911393385.db2.gz SUTSIAKJWDEJRO-UHFFFAOYSA-N -1 3 383.314 3.563 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901871373 921667109 /nfs/dbraw/zinc/66/71/09/921667109.db2.gz FHTNGHMRWUTHAP-RISCZKNCSA-N -1 3 397.700 3.919 20 0 GHADHM CCCOc1ccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1OCC ZINC000901884044 921690051 /nfs/dbraw/zinc/69/00/51/921690051.db2.gz UELKCKGLEIUSHP-UHFFFAOYSA-N -1 3 387.480 3.606 20 0 GHADHM COc1cc(Br)c(CN[C@@H](CC(=O)[O-])CC(C)(C)C)c(OC)c1 ZINC000284215715 911792829 /nfs/dbraw/zinc/79/28/29/911792829.db2.gz MDIIOIOYAGEUIA-NSHDSACASA-N -1 3 388.302 3.835 20 0 GHADHM COc1ccc(NC(=O)CC2CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000642162599 911817673 /nfs/dbraw/zinc/81/76/73/911817673.db2.gz CZAGLKGAMHJSHN-UHFFFAOYSA-N -1 3 394.880 3.888 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000642323333 911980939 /nfs/dbraw/zinc/98/09/39/911980939.db2.gz GYXIRPKMNHCFFC-HNNXBMFYSA-N -1 3 392.249 3.965 20 0 GHADHM CN(Cc1ccccc1Oc1ccccc1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC001187000085 914967194 /nfs/dbraw/zinc/96/71/94/914967194.db2.gz ZETFICVMZMADHN-UHFFFAOYSA-N -1 3 385.427 3.931 20 0 GHADHM CN(Cc1ccccc1Oc1ccccc1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC001187000085 914967197 /nfs/dbraw/zinc/96/71/97/914967197.db2.gz ZETFICVMZMADHN-UHFFFAOYSA-N -1 3 385.427 3.931 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]C[C@H](OCCC(C)C)c1ccc(Cl)cc1 ZINC001187420879 915235804 /nfs/dbraw/zinc/23/58/04/915235804.db2.gz MFEJFEQDLMXMPT-INIZCTEOSA-N -1 3 386.901 3.719 20 0 GHADHM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647826812 915400674 /nfs/dbraw/zinc/40/06/74/915400674.db2.gz YRTLRQAKLKCGBP-KRWDZBQOSA-N -1 3 394.450 3.772 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccc(Cl)cc1 ZINC001187641597 915409549 /nfs/dbraw/zinc/40/95/49/915409549.db2.gz MMFWLCWUZCLNSD-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2F)cc1 ZINC001187808390 915526448 /nfs/dbraw/zinc/52/64/48/915526448.db2.gz JMTWKZBDWZKVOX-UHFFFAOYSA-N -1 3 392.383 3.962 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 ZINC000648167132 915531418 /nfs/dbraw/zinc/53/14/18/915531418.db2.gz GBKGLRAMDVTXFQ-UHFFFAOYSA-N -1 3 383.429 3.735 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2cccc(CO)c2)cc1 ZINC001187826025 915574252 /nfs/dbraw/zinc/57/42/52/915574252.db2.gz DPDOXVNQFPFDJN-UHFFFAOYSA-N -1 3 385.441 3.781 20 0 GHADHM O=S(=O)([N-]c1cc2ocnc2cc1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188077138 915740079 /nfs/dbraw/zinc/74/00/79/915740079.db2.gz ZBKWSGMWJIVBAD-UHFFFAOYSA-N -1 3 378.624 3.984 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000649066262 916010936 /nfs/dbraw/zinc/01/09/36/916010936.db2.gz FTKXWKLPRSTCSP-GOEBONIOSA-N -1 3 382.508 3.840 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@H]1OC ZINC001188508680 916023796 /nfs/dbraw/zinc/02/37/96/916023796.db2.gz YYLOIIRBKJZXHH-HZPDHXFCSA-N -1 3 380.535 3.682 20 0 GHADHM COC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)c1c(C)cccc1[O-] ZINC001188640264 916097368 /nfs/dbraw/zinc/09/73/68/916097368.db2.gz LETVESXYMGJVIR-UHFFFAOYSA-N -1 3 394.402 3.864 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)c2c1 ZINC000649396210 916139175 /nfs/dbraw/zinc/13/91/75/916139175.db2.gz QCWOFADDFSSTQJ-WCJKSRRJSA-N -1 3 384.476 3.713 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](C)[C@H]1OC ZINC001188731573 916163694 /nfs/dbraw/zinc/16/36/94/916163694.db2.gz DIOCPFLRJNWGEZ-VCTAVGKDSA-N -1 3 397.434 3.963 20 0 GHADHM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC001188749403 916178187 /nfs/dbraw/zinc/17/81/87/916178187.db2.gz ZLSRAWQQZBUZEX-OAHLLOKOSA-N -1 3 391.798 3.967 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)ccc2C)c(F)c1 ZINC001188779444 916200935 /nfs/dbraw/zinc/20/09/35/916200935.db2.gz FDKYNZIFEOHGHY-CQSZACIVSA-N -1 3 379.453 3.659 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)ccc2[nH]1 ZINC001188892249 916280740 /nfs/dbraw/zinc/28/07/40/916280740.db2.gz NRCKWXNKRKHUST-UHFFFAOYSA-N -1 3 393.424 3.516 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2CCC[C@H]1C ZINC001188994430 916328110 /nfs/dbraw/zinc/32/81/10/916328110.db2.gz FDUHUHNSCYETIX-YJYMSZOUSA-N -1 3 391.464 3.604 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c1 ZINC001189009315 916337101 /nfs/dbraw/zinc/33/71/01/916337101.db2.gz ORYNWSMFPDVHQM-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)no1 ZINC001189384092 916581271 /nfs/dbraw/zinc/58/12/71/916581271.db2.gz ZPHKZUKOFHUOAH-UHFFFAOYSA-N -1 3 397.378 3.600 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1nc(Cl)ccc1Br ZINC001189425159 916626782 /nfs/dbraw/zinc/62/67/82/916626782.db2.gz CEEULDCDJILSKL-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1C ZINC001189491156 916674836 /nfs/dbraw/zinc/67/48/36/916674836.db2.gz FSGGOCZDTKRCNV-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ncc(Cl)nc1Cl ZINC001189498469 916679696 /nfs/dbraw/zinc/67/96/96/916679696.db2.gz IBTTVIIEPTXLHS-UHFFFAOYSA-N -1 3 386.182 3.744 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)nc1C ZINC001189500874 916681520 /nfs/dbraw/zinc/68/15/20/916681520.db2.gz ANDNMFUPHIWPPG-UHFFFAOYSA-N -1 3 379.791 3.708 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)c(-c2ccccc2)s1 ZINC001189515316 916696425 /nfs/dbraw/zinc/69/64/25/916696425.db2.gz KCOKSLZWXDESRB-DLBZAZTESA-N -1 3 394.562 3.991 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]Cc1cc(-c2cccc(Cl)c2)no1 ZINC001189482490 916703603 /nfs/dbraw/zinc/70/36/03/916703603.db2.gz SRFRDYSGPFKRKG-UHFFFAOYSA-N -1 3 398.818 3.893 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnccc2Br)c([O-])c1 ZINC001189585546 916760103 /nfs/dbraw/zinc/76/01/03/916760103.db2.gz RBXPZRMREXVSEP-UHFFFAOYSA-N -1 3 393.237 3.757 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-][C@@H](Cc1ccccc1)c1nccs1 ZINC001189710716 916854587 /nfs/dbraw/zinc/85/45/87/916854587.db2.gz YFSXJBDYJJLQAN-KRWDZBQOSA-N -1 3 394.468 3.825 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3ccc(OC(C)C)cc3)nc2)n1 ZINC000361832824 916938521 /nfs/dbraw/zinc/93/85/21/916938521.db2.gz YWSGLXCMXJHORL-IBGZPJMESA-N -1 3 394.475 3.739 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000650505489 917043740 /nfs/dbraw/zinc/04/37/40/917043740.db2.gz FVSJNQKMHWNVCH-QZTJIDSGSA-N -1 3 378.488 3.748 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccccc2-n2ccnc2)c([O-])c1 ZINC001190100218 917095887 /nfs/dbraw/zinc/09/58/87/917095887.db2.gz QESDEHOXZMEJRG-UHFFFAOYSA-N -1 3 379.416 3.786 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@H](C)c2c(Cl)cccc2Cl)ccc1F ZINC001190118833 917141542 /nfs/dbraw/zinc/14/15/42/917141542.db2.gz UXKPSJQAVAJTPA-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM COc1ccc(-c2cccc(C(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)c2)cc1 ZINC001190316318 917238164 /nfs/dbraw/zinc/23/81/64/917238164.db2.gz PKBUNTFLHFZJQP-UHFFFAOYSA-N -1 3 387.395 3.969 20 0 GHADHM CC(C)(O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC001190338661 917269396 /nfs/dbraw/zinc/26/93/96/917269396.db2.gz LSFSMBYZFZQGFL-HNNXBMFYSA-N -1 3 391.386 3.635 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cn1)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350528 917278710 /nfs/dbraw/zinc/27/87/10/917278710.db2.gz LIYWZTPKWSCECO-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)C1CC1 ZINC001190601738 917441395 /nfs/dbraw/zinc/44/13/95/917441395.db2.gz FBFYRCWNFNARPW-QGZVFWFLSA-N -1 3 397.855 3.695 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1cccc(C2CC2)c1 ZINC001190698081 917489791 /nfs/dbraw/zinc/48/97/91/917489791.db2.gz ZTYUKTVAGISGMI-SNVBAGLBSA-N -1 3 399.285 3.900 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ncc(C4CCOCC4)s3)c[n-]c12 ZINC000295901766 917591938 /nfs/dbraw/zinc/59/19/38/917591938.db2.gz HWBUXTDCPPLSHS-UHFFFAOYSA-N -1 3 387.436 3.991 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1cccc(Cl)c1 ZINC000363025036 917641591 /nfs/dbraw/zinc/64/15/91/917641591.db2.gz BGFUSBZXDROXBH-UHFFFAOYSA-N -1 3 382.851 3.802 20 0 GHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001190907841 917656949 /nfs/dbraw/zinc/65/69/49/917656949.db2.gz HNWMDVXBRARGNB-ZWKOTPCHSA-N -1 3 386.879 3.693 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)c1c(F)cncc1F ZINC000651704398 917700524 /nfs/dbraw/zinc/70/05/24/917700524.db2.gz HSWDXEYGNCRNTL-LURJTMIESA-N -1 3 387.260 3.909 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccncc2OCCC(C)(C)C)cc1F ZINC001191007888 917704231 /nfs/dbraw/zinc/70/42/31/917704231.db2.gz SLYHSPBQEFJIMW-UHFFFAOYSA-N -1 3 398.475 3.962 20 0 GHADHM CC[C@H](OCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000651803940 917713154 /nfs/dbraw/zinc/71/31/54/917713154.db2.gz MRMJAGDCGGFOMT-HNNXBMFYSA-N -1 3 388.411 3.547 20 0 GHADHM CCC(C)(C)OCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001191083121 917771523 /nfs/dbraw/zinc/77/15/23/917771523.db2.gz WFLPFUIDXCFCGK-UHFFFAOYSA-N -1 3 388.942 3.947 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)sc1Br ZINC001191171919 917800243 /nfs/dbraw/zinc/80/02/43/917800243.db2.gz QNLQLOSXRXUEAI-CMPLNLGQSA-N -1 3 390.299 3.793 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)cc2)o1 ZINC001191208947 917825580 /nfs/dbraw/zinc/82/55/80/917825580.db2.gz YEXBGRWKLHJZSB-KRWDZBQOSA-N -1 3 398.459 3.911 20 0 GHADHM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Br)cn1 ZINC000796499229 917848945 /nfs/dbraw/zinc/84/89/45/917848945.db2.gz TZWWVGUBQMHEQG-JTQLQIEISA-N -1 3 375.222 3.507 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)OC)cc2)cc1 ZINC001191254574 917850397 /nfs/dbraw/zinc/85/03/97/917850397.db2.gz XHHSEUIFSCDQCW-UHFFFAOYSA-N -1 3 375.490 3.936 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccnc(Cl)c2F)c1 ZINC001191273807 917886087 /nfs/dbraw/zinc/88/60/87/917886087.db2.gz OOKPWKMJDWEYLA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C([O-])CCN(Cc1ncc(-c2ccccc2Br)o1)CC1CC1 ZINC000652466927 917905551 /nfs/dbraw/zinc/90/55/51/917905551.db2.gz CWELKPYIMRZLGE-UHFFFAOYSA-N -1 3 379.254 3.791 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccco1 ZINC000296299582 918103410 /nfs/dbraw/zinc/10/34/10/918103410.db2.gz NNMKEKVHRKCXJG-SUMWQHHRSA-N -1 3 385.432 3.732 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1Cl ZINC001191758440 918203242 /nfs/dbraw/zinc/20/32/42/918203242.db2.gz PXYWVUMAKUXOED-UHFFFAOYSA-N -1 3 393.679 3.855 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1 ZINC001192092532 918388470 /nfs/dbraw/zinc/38/84/70/918388470.db2.gz NOJCBBMMZLHNIB-OAQYLSRUSA-N -1 3 395.480 3.855 20 0 GHADHM COC(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001192189605 918484111 /nfs/dbraw/zinc/48/41/11/918484111.db2.gz PYWPYEIYTIOLIQ-ZIAGYGMSSA-N -1 3 390.233 3.684 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(C2CC2)c1 ZINC000297256673 919187452 /nfs/dbraw/zinc/18/74/52/919187452.db2.gz SLQZLVRTIVMBMA-UONOGXRCSA-N -1 3 397.441 3.725 20 0 GHADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000380741103 919319122 /nfs/dbraw/zinc/31/91/22/919319122.db2.gz UGFJJLFHFVHPPL-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc3ccccc32)c1 ZINC000115877405 919477562 /nfs/dbraw/zinc/47/75/62/919477562.db2.gz LHJUAMBAZYLEJL-CYBMUJFWSA-N -1 3 387.432 3.805 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280245910 919575440 /nfs/dbraw/zinc/57/54/40/919575440.db2.gz IJFSZUJBNAPJNG-HOCLYGCPSA-N -1 3 384.476 3.921 20 0 GHADHM O=C([N-]NC(=O)c1cc(Cl)nc2ccccc21)c1ccc2ccccc2n1 ZINC000021008257 919679957 /nfs/dbraw/zinc/67/99/57/919679957.db2.gz XTZDCVHWHGMNTQ-UHFFFAOYSA-N -1 3 376.803 3.511 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000038697378 919688541 /nfs/dbraw/zinc/68/85/41/919688541.db2.gz BOIQRLOIBQMFEO-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM CCOc1cc(CNc2ccc(C)c(NS(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000297754790 919729675 /nfs/dbraw/zinc/72/96/75/919729675.db2.gz LGBWNWRUPCRHAX-UHFFFAOYSA-N -1 3 384.885 3.736 20 0 GHADHM COC(=O)c1nc([N-]C(=O)c2scnc2C(F)(F)F)sc1C(C)C ZINC000297770653 919752185 /nfs/dbraw/zinc/75/21/85/919752185.db2.gz MUMVGYLNAQQHDO-UHFFFAOYSA-N -1 3 379.385 3.781 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnccc1Oc1ccccc1 ZINC000800269312 919819815 /nfs/dbraw/zinc/81/98/15/919819815.db2.gz LEIZQNAOBDQSJA-UHFFFAOYSA-N -1 3 389.367 3.987 20 0 GHADHM CCOC(=O)Oc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000800519195 920235907 /nfs/dbraw/zinc/23/59/07/920235907.db2.gz NDDXPFQHLIBYCT-UHFFFAOYSA-N -1 3 394.221 3.620 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900356439 920242578 /nfs/dbraw/zinc/24/25/78/920242578.db2.gz JNRLECGNZKKDND-UHFFFAOYSA-N -1 3 388.265 3.631 20 0 GHADHM Cc1cc(C)cc([C@@H](O)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000800914154 920596638 /nfs/dbraw/zinc/59/66/38/920596638.db2.gz NDDXILKRALHTFK-FQEVSTJZSA-N -1 3 392.459 3.630 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1c(C)noc1C ZINC000800924832 920606688 /nfs/dbraw/zinc/60/66/88/920606688.db2.gz HWVQGWYYMMZZHW-AWEZNQCLSA-N -1 3 382.869 3.503 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800967201 920653535 /nfs/dbraw/zinc/65/35/35/920653535.db2.gz SRLNLHQYNHHDRE-QGZVFWFLSA-N -1 3 377.437 3.509 20 0 GHADHM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)cc1 ZINC000298721890 920849640 /nfs/dbraw/zinc/84/96/40/920849640.db2.gz JCHIUMLKXRGXKN-LBPRGKRZSA-N -1 3 388.514 3.804 20 0 GHADHM Cc1nn(-c2cccc(Br)c2)cc1CN1CCC(CC(=O)[O-])CC1 ZINC000901418385 921089304 /nfs/dbraw/zinc/08/93/04/921089304.db2.gz CNQZPDBCFSDXGW-UHFFFAOYSA-N -1 3 392.297 3.630 20 0 GHADHM COc1cc(CCC2CCN(Cc3cccc(C(=O)[O-])n3)CC2)cc(OC)c1 ZINC000902089134 921870162 /nfs/dbraw/zinc/87/01/62/921870162.db2.gz ZNZRVPLYLCGHLF-UHFFFAOYSA-N -1 3 384.476 3.642 20 0 GHADHM O=C([O-])c1cc(CNCCCCSc2ccccc2Br)on1 ZINC000902240769 922023720 /nfs/dbraw/zinc/02/37/20/922023720.db2.gz VFRULSMKUQAXHI-UHFFFAOYSA-N -1 3 385.283 3.797 20 0 GHADHM C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H]1C[C@H]1C(=O)[O-] ZINC000902293254 922066982 /nfs/dbraw/zinc/06/69/82/922066982.db2.gz VMCSKEVVXBGWHS-SGJCYKPQSA-N -1 3 387.863 3.899 20 0 GHADHM CCc1oc(CNC[C@H](C)Oc2cccc(Br)c2)cc1C(=O)[O-] ZINC000902316590 922083039 /nfs/dbraw/zinc/08/30/39/922083039.db2.gz KFOCHONRYFHEMX-NSHDSACASA-N -1 3 382.254 3.860 20 0 GHADHM C[C@@H]1CN(Cc2cn(CC(=O)[O-])nc2-c2ccccc2)CCc2ccccc21 ZINC000902324179 922088434 /nfs/dbraw/zinc/08/84/34/922088434.db2.gz CLGCIRGMARSKJJ-QGZVFWFLSA-N -1 3 375.472 3.797 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000368201856 922530733 /nfs/dbraw/zinc/53/07/33/922530733.db2.gz OWZUNSSIDGOPBQ-ASSNKEHSSA-N -1 3 383.448 3.593 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@H]3OCCc4sccc43)nc2)n1 ZINC000368304294 922585466 /nfs/dbraw/zinc/58/54/66/922585466.db2.gz LQBCMXOHAIKMOH-CWTRNNRKSA-N -1 3 382.489 3.983 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3COC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000902916663 922600399 /nfs/dbraw/zinc/60/03/99/922600399.db2.gz ZGCVSXBYNYRQMQ-QGZVFWFLSA-N -1 3 384.480 3.969 20 0 GHADHM CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C[C@](C)(O)C(=O)[O-] ZINC000903608610 923123508 /nfs/dbraw/zinc/12/35/08/923123508.db2.gz YERXUPCAXHXORG-IBGZPJMESA-N -1 3 381.831 3.929 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903626384 923135720 /nfs/dbraw/zinc/13/57/20/923135720.db2.gz AGCFWVORPJWDIL-YPMHNXCESA-N -1 3 396.178 3.941 20 0 GHADHM O=C([O-])[C@@H](c1ccsc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903632201 923141340 /nfs/dbraw/zinc/14/13/40/923141340.db2.gz VKNQOLRLCXBZKE-OAHLLOKOSA-N -1 3 386.395 3.831 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3ccc(Br)cc3n2C)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903953307 923432811 /nfs/dbraw/zinc/43/28/11/923432811.db2.gz QTFLYZVLCAFYDM-QLQJRFMMSA-N -1 3 394.313 3.655 20 0 GHADHM Cc1ccnc(C2CCN(Cc3oc(-c4ccccc4)nc3C(=O)[O-])CC2)n1 ZINC000903961579 923439441 /nfs/dbraw/zinc/43/94/41/923439441.db2.gz CBSKEFDCWCJUHB-UHFFFAOYSA-N -1 3 378.432 3.518 20 0 GHADHM CCOc1cccc(-c2cccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)c1 ZINC000370507821 924135035 /nfs/dbraw/zinc/13/50/35/924135035.db2.gz JTFZTLKBZNLDOD-UHFFFAOYSA-N -1 3 392.459 3.831 20 0 GHADHM Cc1nc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000678050802 924591940 /nfs/dbraw/zinc/59/19/40/924591940.db2.gz GFMIJACSFGCJEB-UHFFFAOYSA-N -1 3 394.884 3.693 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000679244788 925075058 /nfs/dbraw/zinc/07/50/58/925075058.db2.gz HCBXKOZFKCCRHL-LBPRGKRZSA-N -1 3 384.402 3.648 20 0 GHADHM CCN(Cc1ccoc1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000679651119 925207636 /nfs/dbraw/zinc/20/76/36/925207636.db2.gz HZYYVHMHBCSLMD-UHFFFAOYSA-N -1 3 399.472 3.594 20 0 GHADHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)CCC4=O)c2O1 ZINC000410330258 925545760 /nfs/dbraw/zinc/54/57/60/925545760.db2.gz WLNKCPOWUYSSDJ-UHFFFAOYSA-N -1 3 391.876 3.983 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000410413689 925626496 /nfs/dbraw/zinc/62/64/96/925626496.db2.gz MUPOFUPGLKYRGN-AWEZNQCLSA-N -1 3 383.473 3.520 20 0 GHADHM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000681058086 925711063 /nfs/dbraw/zinc/71/10/63/925711063.db2.gz JIDUBFVBGOUZNJ-GOSISDBHSA-N -1 3 394.450 3.736 20 0 GHADHM COc1ccccc1[C@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)c1noc(C)n1 ZINC000373125092 925873353 /nfs/dbraw/zinc/87/33/53/925873353.db2.gz LYGSNVUZWPIGBP-KRWDZBQOSA-N -1 3 387.386 3.693 20 0 GHADHM COc1nnc([N-]C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)s1 ZINC000682689769 926209767 /nfs/dbraw/zinc/20/97/67/926209767.db2.gz FOLJJVLPUBVZAD-UHFFFAOYSA-N -1 3 389.437 3.647 20 0 GHADHM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc2sccc2c([O-])c1 ZINC001137502528 926209789 /nfs/dbraw/zinc/20/97/89/926209789.db2.gz NZOJWUFJCBOWHF-UHFFFAOYSA-N -1 3 382.363 3.830 20 0 GHADHM C[C@H]1CN(c2ccccc2F)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000682779592 926244823 /nfs/dbraw/zinc/24/48/23/926244823.db2.gz MFCCMRZLSLEUGG-AWEZNQCLSA-N -1 3 392.434 3.931 20 0 GHADHM CCOC(=O)N1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000725879907 926478050 /nfs/dbraw/zinc/47/80/50/926478050.db2.gz RDIIBGNWTUDACZ-UHFFFAOYSA-N -1 3 396.487 3.528 20 0 GHADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000374165368 926851556 /nfs/dbraw/zinc/85/15/56/926851556.db2.gz YRWWDPKOSCBGBZ-AWEZNQCLSA-N -1 3 375.211 3.698 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000749910485 927343131 /nfs/dbraw/zinc/34/31/31/927343131.db2.gz DZYMOIFCMIXSAI-KRWDZBQOSA-N -1 3 399.285 3.740 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)sc1C ZINC000750167108 927461895 /nfs/dbraw/zinc/46/18/95/927461895.db2.gz CZGULXPCRWLWTL-UHFFFAOYSA-N -1 3 385.873 3.579 20 0 GHADHM C[C@H]1CC(C)(C)CN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000412765655 927819869 /nfs/dbraw/zinc/81/98/69/927819869.db2.gz AWCUOZYQVUUACC-OXJNMPFZSA-N -1 3 380.488 3.900 20 0 GHADHM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC(C)(C)C1 ZINC000412813852 927868343 /nfs/dbraw/zinc/86/83/43/927868343.db2.gz PYYSBGYFCSRRTJ-UHFFFAOYSA-N -1 3 393.484 3.605 20 0 GHADHM COCC(=O)Nc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000750864058 927904260 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ZGQUNAPBMVXVSI-GFCCVEGCSA-N -1 3 376.787 3.720 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000557870194 931731185 /nfs/dbraw/zinc/73/11/85/931731185.db2.gz FSRVMJPZVYFUKX-ZDUSSCGKSA-N -1 3 378.252 3.535 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)OCc3noc(-c4ccccc4[O-])n3)c2c1 ZINC000783959714 931731459 /nfs/dbraw/zinc/73/14/59/931731459.db2.gz PEJZYASDBFXXQL-UHFFFAOYSA-N -1 3 377.400 3.908 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc(OC)c1[O-] ZINC000784360521 931867687 /nfs/dbraw/zinc/86/76/87/931867687.db2.gz LGRDSTUJXLJSMB-SNVBAGLBSA-N -1 3 388.351 3.517 20 0 GHADHM CC[C@H](C)n1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1C1CC1 ZINC000784419479 931887488 /nfs/dbraw/zinc/88/74/88/931887488.db2.gz PKPGNSKOIDVNME-LBPRGKRZSA-N -1 3 382.420 3.844 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccnc(OC2CCCCC2)c1 ZINC000784510985 931919279 /nfs/dbraw/zinc/91/92/79/931919279.db2.gz UXBSKKMVTMQAAZ-UHFFFAOYSA-N -1 3 395.415 3.906 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)N=c3cc4ccccn4[n-]3)c2)cc1 ZINC000558464110 932016558 /nfs/dbraw/zinc/01/65/58/932016558.db2.gz ULSJUGGOFHHCRN-UHFFFAOYSA-N -1 3 399.454 3.639 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000796800455 932072128 /nfs/dbraw/zinc/07/21/28/932072128.db2.gz ATORYZACEIFXGM-UHFFFAOYSA-N -1 3 393.305 3.576 20 0 GHADHM COc1cccc(CCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1F ZINC000797070696 932168462 /nfs/dbraw/zinc/16/84/62/932168462.db2.gz QYIIVSRDZYLJEN-UHFFFAOYSA-N -1 3 382.391 3.844 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc2ccc(Cl)nc2cc1F ZINC000797456739 932290773 /nfs/dbraw/zinc/29/07/73/932290773.db2.gz INYSRVNHMDBIAL-SECBINFHSA-N -1 3 378.803 3.741 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2C)c(C)c1 ZINC000797817210 932415232 /nfs/dbraw/zinc/41/52/32/932415232.db2.gz RIGKVZYQPKCWEZ-UHFFFAOYSA-N -1 3 378.450 3.681 20 0 GHADHM CCOC(=O)c1csc(C2CCN(C(=O)c3cccc(CC)c3[O-])CC2)n1 ZINC000559315076 932594565 /nfs/dbraw/zinc/59/45/65/932594565.db2.gz XKVFLHNEHVNCPK-UHFFFAOYSA-N -1 3 388.489 3.608 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)cc1C ZINC000559961455 932981730 /nfs/dbraw/zinc/98/17/30/932981730.db2.gz YWCNSTGIYHAQMB-UHFFFAOYSA-N -1 3 389.807 3.904 20 0 GHADHM O=S(=O)([N-]Cc1ccn(Cc2ccccc2)n1)c1c(Cl)cccc1Cl ZINC000560020818 933021401 /nfs/dbraw/zinc/02/14/01/933021401.db2.gz ZCCWEYSHMBSJMY-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=S(=O)([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)o1 ZINC000799643217 933077762 /nfs/dbraw/zinc/07/77/62/933077762.db2.gz GIOMZZXRBGZJBD-UHFFFAOYSA-N -1 3 392.099 3.538 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](Cc4nccs4)C3)cc2)cc(=O)[n-]1 ZINC000929763576 933619996 /nfs/dbraw/zinc/61/99/96/933619996.db2.gz MWDHYCCRWHVTSD-AWEZNQCLSA-N -1 3 395.488 3.711 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000560970788 933741179 /nfs/dbraw/zinc/74/11/79/933741179.db2.gz URUCAHIXEJHYNP-HXUWFJFHSA-N -1 3 394.515 3.698 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1[O-] ZINC001118280417 934127106 /nfs/dbraw/zinc/12/71/06/934127106.db2.gz LOYNMLYIHOZMHM-HUUCEWRRSA-N -1 3 376.453 3.617 20 0 GHADHM CSc1nnc(C[N-]S(=O)(=O)c2c(C)sc3c2cccc3C)s1 ZINC000561457935 934179771 /nfs/dbraw/zinc/17/97/71/934179771.db2.gz XONIEPIAWZFMMY-UHFFFAOYSA-N -1 3 385.561 3.570 20 0 GHADHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1oc(C2CC2)nc1C(F)F ZINC001121214013 934590038 /nfs/dbraw/zinc/59/00/38/934590038.db2.gz NJBGBFVKUYTYSX-UHFFFAOYSA-N -1 3 399.344 3.857 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H](Cc3nccs3)C2)nc2c3ccccc3oc21 ZINC000932197436 934847606 /nfs/dbraw/zinc/84/76/06/934847606.db2.gz PSFLMCIEIPICPA-ZDUSSCGKSA-N -1 3 380.473 3.993 20 0 GHADHM O=C([N-]Cc1ccc(Cl)cc1)C(F)(F)c1ncccc1Br ZINC001124134510 935347385 /nfs/dbraw/zinc/34/73/85/935347385.db2.gz AQQAVGFRRRZBKE-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc(-n2cccc2)ccc1Cl ZINC001124683431 935444605 /nfs/dbraw/zinc/44/46/05/935444605.db2.gz ZORBCLZBAMTLBX-UHFFFAOYSA-N -1 3 384.848 3.594 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(-c4ccccn4)n3)c2)n1 ZINC001125150307 935536139 /nfs/dbraw/zinc/53/61/39/935536139.db2.gz XTDZFTDHGFENEH-UHFFFAOYSA-N -1 3 398.426 3.516 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnc(CCC(F)(F)F)s1 ZINC001125230149 935555029 /nfs/dbraw/zinc/55/50/29/935555029.db2.gz OPAWZCVKKCVDOG-UHFFFAOYSA-N -1 3 385.396 3.804 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1[O-] ZINC001137528224 935563777 /nfs/dbraw/zinc/56/37/77/935563777.db2.gz MSUOXSCDAKPPIV-NSHDSACASA-N -1 3 383.379 3.583 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CC)NC(=O)OC(C)(C)C)nc2)n1 ZINC000828638040 935681487 /nfs/dbraw/zinc/68/14/87/935681487.db2.gz CDMIRPXIIBTXAJ-HNNXBMFYSA-N -1 3 387.484 3.522 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001137748399 935767654 /nfs/dbraw/zinc/76/76/54/935767654.db2.gz ZIBQLEKHHLRWNR-UHFFFAOYSA-N -1 3 378.394 3.936 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn4c3C[C@H](C)CC4)nc(=O)c2c1C ZINC000829573883 935829595 /nfs/dbraw/zinc/82/95/95/935829595.db2.gz GUXUXLOVOKGMNN-MWLCHTKSSA-N -1 3 386.477 3.711 20 0 GHADHM Brc1cnc(N2CCC[C@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC001573279128 946632277 /nfs/dbraw/zinc/63/22/77/946632277.db2.gz CXXCSTQOBFRSJL-AWEZNQCLSA-N -1 3 377.290 3.573 20 0 GHADHM Brc1cnc(N2CCC[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC001573279128 946632283 /nfs/dbraw/zinc/63/22/83/946632283.db2.gz CXXCSTQOBFRSJL-AWEZNQCLSA-N -1 3 377.290 3.573 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001573553535 946886784 /nfs/dbraw/zinc/88/67/84/946886784.db2.gz YORNDNVGBXBCMB-QFIPXVFZSA-N -1 3 391.475 3.913 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001573553535 946886791 /nfs/dbraw/zinc/88/67/91/946886791.db2.gz YORNDNVGBXBCMB-QFIPXVFZSA-N -1 3 391.475 3.913 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N3CCc4c3cccc4-c3nnn[n-]3)o2)cc1 ZINC001573553759 946892825 /nfs/dbraw/zinc/89/28/25/946892825.db2.gz KMOJBUVHOUYBEV-UHFFFAOYSA-N -1 3 399.410 3.532 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)N3CCc4c3cccc4-c3nn[n-]n3)o2)cc1 ZINC001573553759 946892833 /nfs/dbraw/zinc/89/28/33/946892833.db2.gz KMOJBUVHOUYBEV-UHFFFAOYSA-N -1 3 399.410 3.532 20 0 GHADHM C[C@@H](C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)c(F)c1 ZINC001573626617 947711352 /nfs/dbraw/zinc/71/13/52/947711352.db2.gz WMDVQWGVMAXFHG-CYBMUJFWSA-N -1 3 397.429 3.655 20 0 GHADHM C[C@@H](C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC001573626617 947711362 /nfs/dbraw/zinc/71/13/62/947711362.db2.gz WMDVQWGVMAXFHG-CYBMUJFWSA-N -1 3 397.429 3.655 20 0 GHADHM C[C@H](C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651913 947925697 /nfs/dbraw/zinc/92/56/97/947925697.db2.gz QSKIFZAESQHGHN-JTQLQIEISA-N -1 3 388.258 3.819 20 0 GHADHM C[C@H](C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccc(Cl)c(Cl)c1 ZINC001573651913 947925705 /nfs/dbraw/zinc/92/57/05/947925705.db2.gz QSKIFZAESQHGHN-JTQLQIEISA-N -1 3 388.258 3.819 20 0 GHADHM C[C@@H](C(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1)[C@@H](C)C(C)(C)C ZINC001573755665 948778090 /nfs/dbraw/zinc/77/80/90/948778090.db2.gz RWKOTHCYSFKQLM-GHMZBOCLSA-N -1 3 395.301 3.991 20 0 GHADHM C[C@@H](C(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1)[C@@H](C)C(C)(C)C ZINC001573755665 948778101 /nfs/dbraw/zinc/77/81/01/948778101.db2.gz RWKOTHCYSFKQLM-GHMZBOCLSA-N -1 3 395.301 3.991 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1cn(C)c2ccccc12 ZINC001573757033 948830493 /nfs/dbraw/zinc/83/04/93/948830493.db2.gz XNCHKJDAVOPLHK-CYBMUJFWSA-N -1 3 386.459 3.978 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1cn(C)c2ccccc12 ZINC001573757033 948830508 /nfs/dbraw/zinc/83/05/08/948830508.db2.gz XNCHKJDAVOPLHK-CYBMUJFWSA-N -1 3 386.459 3.978 20 0 GHADHM C[C@@H](SCc1cccc2cccnc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001575504703 949082015 /nfs/dbraw/zinc/08/20/15/949082015.db2.gz WLQLBNXHYZJTOO-CYBMUJFWSA-N -1 3 390.472 3.675 20 0 GHADHM C[C@@H](SCc1cccc2cccnc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001575504703 949082036 /nfs/dbraw/zinc/08/20/36/949082036.db2.gz WLQLBNXHYZJTOO-CYBMUJFWSA-N -1 3 390.472 3.675 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001574093809 949118538 /nfs/dbraw/zinc/11/85/38/949118538.db2.gz ZDOHKHGFLWILNO-OXJNMPFZSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001574093809 949118551 /nfs/dbraw/zinc/11/85/51/949118551.db2.gz ZDOHKHGFLWILNO-OXJNMPFZSA-N -1 3 378.436 3.675 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001575251453 949141510 /nfs/dbraw/zinc/14/15/10/949141510.db2.gz NJIAWXKGMAQRTB-CYBMUJFWSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001575251453 949141524 /nfs/dbraw/zinc/14/15/24/949141524.db2.gz NJIAWXKGMAQRTB-CYBMUJFWSA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CC12CCCCC2 ZINC001574098801 949165394 /nfs/dbraw/zinc/16/53/94/949165394.db2.gz FUSQAPNUYYVMBH-GOSISDBHSA-N -1 3 378.480 3.779 20 0 GHADHM CC(C)[C@H]1N(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CC12CCCCC2 ZINC001574098801 949165402 /nfs/dbraw/zinc/16/54/02/949165402.db2.gz FUSQAPNUYYVMBH-GOSISDBHSA-N -1 3 378.480 3.779 20 0 GHADHM CC(C)(C(=O)Oc1ccc(Cl)c(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788831 949216015 /nfs/dbraw/zinc/21/60/15/949216015.db2.gz ZMSYKAMMNXFVAW-UHFFFAOYSA-N -1 3 378.766 3.682 20 0 GHADHM CC(C)(C(=O)Oc1ccc(Cl)c(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788831 949216039 /nfs/dbraw/zinc/21/60/39/949216039.db2.gz ZMSYKAMMNXFVAW-UHFFFAOYSA-N -1 3 378.766 3.682 20 0 GHADHM CCCN(C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001589659166 949837146 /nfs/dbraw/zinc/83/71/46/949837146.db2.gz LJKZHUJWYPAJDP-SFHVURJKSA-N -1 3 396.491 3.688 20 0 GHADHM CCCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001589659443 949845310 /nfs/dbraw/zinc/84/53/10/949845310.db2.gz UFGULWCHLDXFND-IBGZPJMESA-N -1 3 396.491 3.688 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1Cl)c1cccs1 ZINC001575285154 949936560 /nfs/dbraw/zinc/93/65/60/949936560.db2.gz ZHFYNKQBXSMUGY-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1Cl)c1cccs1 ZINC001575285154 949936573 /nfs/dbraw/zinc/93/65/73/949936573.db2.gz ZHFYNKQBXSMUGY-VIFPVBQESA-N -1 3 379.898 3.551 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CCSc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573852889 950310486 /nfs/dbraw/zinc/31/04/86/950310486.db2.gz KSGRGVCRQYCRSM-UHFFFAOYSA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CCSc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573852889 950310504 /nfs/dbraw/zinc/31/05/04/950310504.db2.gz KSGRGVCRQYCRSM-UHFFFAOYSA-N -1 3 395.916 3.869 20 0 GHADHM CC(C)C[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC001574168158 950506076 /nfs/dbraw/zinc/50/60/76/950506076.db2.gz QITXMQXDUJTGKN-LPHOPBHVSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)C[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC001574168158 950506092 /nfs/dbraw/zinc/50/60/92/950506092.db2.gz QITXMQXDUJTGKN-LPHOPBHVSA-N -1 3 385.512 3.555 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C=CCC1 ZINC001575614458 950534835 /nfs/dbraw/zinc/53/48/35/950534835.db2.gz DAABYBHJKKQAND-OAQYLSRUSA-N -1 3 375.432 3.741 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C=CCC1 ZINC001575614458 950534851 /nfs/dbraw/zinc/53/48/51/950534851.db2.gz DAABYBHJKKQAND-OAQYLSRUSA-N -1 3 375.432 3.741 20 0 GHADHM CC(C)(C)Oc1cccc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573876559 950677286 /nfs/dbraw/zinc/67/72/86/950677286.db2.gz QRGGUKZJQKPARI-UHFFFAOYSA-N -1 3 379.464 3.960 20 0 GHADHM CC(C)(C)Oc1cccc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573876559 950677296 /nfs/dbraw/zinc/67/72/96/950677296.db2.gz QRGGUKZJQKPARI-UHFFFAOYSA-N -1 3 379.464 3.960 20 0 GHADHM CC(C)(C)c1c[nH]c(Sc2ccc(-c3nnn[n-]3)c(Br)c2)n1 ZINC001573879668 950729129 /nfs/dbraw/zinc/72/91/29/950729129.db2.gz IHMGJRAQHLVWHN-UHFFFAOYSA-N -1 3 379.287 3.801 20 0 GHADHM CC(C)(C)c1c[nH]c(Sc2ccc(-c3nn[n-]n3)c(Br)c2)n1 ZINC001573879668 950729139 /nfs/dbraw/zinc/72/91/39/950729139.db2.gz IHMGJRAQHLVWHN-UHFFFAOYSA-N -1 3 379.287 3.801 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001573881925 950759063 /nfs/dbraw/zinc/75/90/63/950759063.db2.gz JYYPDXSUMQAKJS-UHFFFAOYSA-N -1 3 398.897 3.647 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001573881925 950759079 /nfs/dbraw/zinc/75/90/79/950759079.db2.gz JYYPDXSUMQAKJS-UHFFFAOYSA-N -1 3 398.897 3.647 20 0 GHADHM CC1(C)C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC001575631215 950775083 /nfs/dbraw/zinc/77/50/83/950775083.db2.gz LWLXKKOLFOXWQA-OAHLLOKOSA-N -1 3 394.431 3.770 20 0 GHADHM CC1(C)C[C@H](C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC001575631215 950775101 /nfs/dbraw/zinc/77/51/01/950775101.db2.gz LWLXKKOLFOXWQA-OAHLLOKOSA-N -1 3 394.431 3.770 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2cc(F)c(F)c(F)c2)c1-c1nnn[n-]1 ZINC001573884023 950777058 /nfs/dbraw/zinc/77/70/58/950777058.db2.gz CPRUGLPLIOLALS-UHFFFAOYSA-N -1 3 381.383 3.895 20 0 GHADHM CC(C)(C)c1csc(NC(=O)c2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC001573884023 950777066 /nfs/dbraw/zinc/77/70/66/950777066.db2.gz CPRUGLPLIOLALS-UHFFFAOYSA-N -1 3 381.383 3.895 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573882324 950777246 /nfs/dbraw/zinc/77/72/46/950777246.db2.gz ZIDGMDHPLOUPCK-UHFFFAOYSA-N -1 3 375.476 3.686 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573882324 950777258 /nfs/dbraw/zinc/77/72/58/950777258.db2.gz ZIDGMDHPLOUPCK-UHFFFAOYSA-N -1 3 375.476 3.686 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC001575184773 952422889 /nfs/dbraw/zinc/42/28/89/952422889.db2.gz BYSHCRPYTNDNTO-KRWDZBQOSA-N -1 3 389.503 3.874 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC001575184773 952422893 /nfs/dbraw/zinc/42/28/93/952422893.db2.gz BYSHCRPYTNDNTO-KRWDZBQOSA-N -1 3 389.503 3.874 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575184826 952424192 /nfs/dbraw/zinc/42/41/92/952424192.db2.gz DDVQQUKGCRMSIW-SNVBAGLBSA-N -1 3 376.247 3.535 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575184826 952424197 /nfs/dbraw/zinc/42/41/97/952424197.db2.gz DDVQQUKGCRMSIW-SNVBAGLBSA-N -1 3 376.247 3.535 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575189407 952457870 /nfs/dbraw/zinc/45/78/70/952457870.db2.gz OLDJOZVSNISDHL-ORAYPTAESA-N -1 3 395.894 3.893 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575189407 952457875 /nfs/dbraw/zinc/45/78/75/952457875.db2.gz OLDJOZVSNISDHL-ORAYPTAESA-N -1 3 395.894 3.893 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589279920 953482632 /nfs/dbraw/zinc/48/26/32/953482632.db2.gz QRJLWHUQLWUAPQ-FUHIMQAGSA-N -1 3 380.488 3.647 20 0 GHADHM CC[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Oc1cccc(F)c1 ZINC001589552691 955227031 /nfs/dbraw/zinc/22/70/31/955227031.db2.gz SONPGLYUMHRDSS-RDJZCZTQSA-N -1 3 390.455 3.667 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462500 957250509 /nfs/dbraw/zinc/25/05/09/957250509.db2.gz LCGGKZPQEHEWBR-IBGZPJMESA-N -1 3 380.510 3.669 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000391434167 972336575 /nfs/dbraw/zinc/33/65/75/972336575.db2.gz DLXJVPLCLIFLEK-XEGUGMAKSA-N -1 3 383.242 3.575 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001573747174 960501750 /nfs/dbraw/zinc/50/17/50/960501750.db2.gz CSYYNLHPJAWDJQ-GOSISDBHSA-N -1 3 395.503 3.690 20 0 GHADHM Cc1ccc(-c2csc(CN3C[C@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)n2)cc1 ZINC001574347699 960970717 /nfs/dbraw/zinc/97/07/17/960970717.db2.gz KTNQDWZSNAMOPC-IAGOWNOFSA-N -1 3 396.516 3.542 20 0 GHADHM C[C@@H]1C[C@H]1c1noc(CC2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)n1 ZINC001347091052 962380609 /nfs/dbraw/zinc/38/06/09/962380609.db2.gz OAMDNTCFRLPFDJ-CDHAZOANSA-N -1 3 389.883 3.927 20 0 GHADHM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001349876086 962485256 /nfs/dbraw/zinc/48/52/56/962485256.db2.gz VYQXXPCCERDERP-UZUQRXQVSA-N -1 3 398.478 3.555 20 0 GHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001526693608 962875717 /nfs/dbraw/zinc/87/57/17/962875717.db2.gz NCAXEXZNRZVMKZ-JTAQYXEDSA-N -1 3 386.536 3.684 20 0 GHADHM O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(O)cc1[O-] ZINC001625793322 1014171729 /nfs/dbraw/zinc/17/17/29/1014171729.db2.gz VKVGRGRYCKTNLW-MRXNPFEDSA-N -1 3 380.213 3.881 20 0 GHADHM C[C@](CCF)(NCc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C(=O)[O-] ZINC001592506360 978319122 /nfs/dbraw/zinc/31/91/22/978319122.db2.gz MEHBPGRTPMTFDB-OAHLLOKOSA-N -1 3 378.297 3.792 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001154423327 1032094237 /nfs/dbraw/zinc/09/42/37/1032094237.db2.gz KCGNMPKECYWEKR-UHFFFAOYSA-N -1 3 382.204 3.748 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC001592865751 979709300 /nfs/dbraw/zinc/70/93/00/979709300.db2.gz GSWWWSKEPOBQHP-IRXDYDNUSA-N -1 3 383.492 3.592 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592872351 979728614 /nfs/dbraw/zinc/72/86/14/979728614.db2.gz KFBJOAOOWIFVQM-QGZVFWFLSA-N -1 3 395.503 3.520 20 0 GHADHM O=C([O-])c1csc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000901430382 980279480 /nfs/dbraw/zinc/27/94/80/980279480.db2.gz XENVLWZGYNOUAF-CYBMUJFWSA-N -1 3 391.468 3.619 20 0 GHADHM CC[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])[C@H](O)c1c(F)cccc1F ZINC001595281192 980331677 /nfs/dbraw/zinc/33/16/77/980331677.db2.gz JYWABEMVBUMNIH-APXLUKDGSA-N -1 3 379.403 3.591 20 0 GHADHM CC[C@@](NC[C@@H]1CN(c2ccccc2)C(=O)O1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595294453 980409025 /nfs/dbraw/zinc/40/90/25/980409025.db2.gz ZSQDLGNPGCRXJD-XLIONFOSSA-N -1 3 388.851 3.645 20 0 GHADHM CC[C@@H]1CN(Cc2ccccc2O[C@H](C)C(=O)[O-])CCN1Cc1ccccc1 ZINC001595491005 981244667 /nfs/dbraw/zinc/24/46/67/981244667.db2.gz JXLQJLPIGFTHDW-WIYYLYMNSA-N -1 3 382.504 3.635 20 0 GHADHM CCCCNC(=O)[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001595755702 982447837 /nfs/dbraw/zinc/44/78/37/982447837.db2.gz BMPRRNGBRSDKGY-WBMJQRKESA-N -1 3 387.307 3.747 20 0 GHADHM CCCN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595823020 982696281 /nfs/dbraw/zinc/69/62/81/982696281.db2.gz POBWDYCQONQNOK-IBGZPJMESA-N -1 3 396.491 3.688 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001595836915 982745965 /nfs/dbraw/zinc/74/59/65/982745965.db2.gz QHWZPBHGTDTMCV-BLGFXRMMSA-N -1 3 390.867 3.844 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001595862821 982799898 /nfs/dbraw/zinc/79/98/98/982799898.db2.gz MHLLNJNGROZJCG-STQMWFEESA-N -1 3 390.402 3.552 20 0 GHADHM CCCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001595891632 982927388 /nfs/dbraw/zinc/92/73/88/982927388.db2.gz XLWCUHRRTILRMM-HNNXBMFYSA-N -1 3 394.475 3.890 20 0 GHADHM CCCOc1ccc(C(C)(C)NCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001595954505 983138479 /nfs/dbraw/zinc/13/84/79/983138479.db2.gz JNXOQBUYIQKUNW-UHFFFAOYSA-N -1 3 384.476 3.945 20 0 GHADHM COc1ccc(Cl)cc1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001626130016 1015023675 /nfs/dbraw/zinc/02/36/75/1015023675.db2.gz AAZQTQRFJMCZLO-UHFFFAOYSA-N -1 3 377.227 3.774 20 0 GHADHM COCCOc1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001626144022 1015036731 /nfs/dbraw/zinc/03/67/31/1015036731.db2.gz LSBNRRANMNZKRJ-UHFFFAOYSA-N -1 3 394.427 3.649 20 0 GHADHM C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001599892028 984706374 /nfs/dbraw/zinc/70/63/74/984706374.db2.gz XYWFKHIUVDNMEH-XLIONFOSSA-N -1 3 397.519 3.658 20 0 GHADHM CCO[C@@H]1C[C@](NCc2cc(Br)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839854 985521683 /nfs/dbraw/zinc/52/16/83/985521683.db2.gz VRICGHLUTHUMHD-CJNGLKHVSA-N -1 3 390.705 3.851 20 0 GHADHM Cc1[nH]c(CN2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599961422 985788564 /nfs/dbraw/zinc/78/85/64/985788564.db2.gz FQUKJLQAGLELAZ-VFNWGFHPSA-N -1 3 391.512 3.538 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001594544535 986200646 /nfs/dbraw/zinc/20/06/46/986200646.db2.gz JFCQXIORCOMWMR-OAHLLOKOSA-N -1 3 385.439 3.510 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC001589468020 986928677 /nfs/dbraw/zinc/92/86/77/986928677.db2.gz FQSGBHRFPUCOFG-APPDUMDISA-N -1 3 388.265 3.877 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001589513564 987160381 /nfs/dbraw/zinc/16/03/81/987160381.db2.gz WKZIIPCTWPFFMC-OXQOHEQNSA-N -1 3 381.476 3.833 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001589612224 987472260 /nfs/dbraw/zinc/47/22/60/987472260.db2.gz TVFDDRWRYWSAKP-CJNGLKHVSA-N -1 3 398.425 3.634 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589711758 987841333 /nfs/dbraw/zinc/84/13/33/987841333.db2.gz HLYICDRFQGBZPE-SFHVURJKSA-N -1 3 388.439 3.546 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC001597451922 987845628 /nfs/dbraw/zinc/84/56/28/987845628.db2.gz CCDXRFUPYBSIOM-UHFFFAOYSA-N -1 3 383.492 3.585 20 0 GHADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001589806483 988230985 /nfs/dbraw/zinc/23/09/85/988230985.db2.gz PMSYDPLDASOZND-NRFANRHFSA-N -1 3 391.487 3.526 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC12CC(C(=O)[O-])C2 ZINC001589865816 988462203 /nfs/dbraw/zinc/46/22/03/988462203.db2.gz HIDXQOJSXDSZNG-BPASVQSSSA-N -1 3 389.467 3.593 20 0 GHADHM CSc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC001599818168 988463970 /nfs/dbraw/zinc/46/39/70/988463970.db2.gz PFVCUCNUPNHXMH-KDOFPFPSSA-N -1 3 399.516 3.891 20 0 GHADHM CC(C)(C)OC(=O)N(CCN[C@@H](C(=O)[O-])c1cccnc1)C1CCCCCC1 ZINC001589907714 988628774 /nfs/dbraw/zinc/62/87/74/988628774.db2.gz NTPXICCQDYBREQ-GOSISDBHSA-N -1 3 391.512 3.757 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2ccccc2Cl)C12CCC2 ZINC001589982617 988857924 /nfs/dbraw/zinc/85/79/24/988857924.db2.gz JMLDUEPKNSTUNS-HZPDHXFCSA-N -1 3 394.899 3.987 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC001599866803 989279648 /nfs/dbraw/zinc/27/96/48/989279648.db2.gz WJACGDZPYVMWSC-ZUOKHONESA-N -1 3 380.460 3.507 20 0 GHADHM CCc1oc(CNC(C)(C)[C@H](O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597799070 989377950 /nfs/dbraw/zinc/37/79/50/989377950.db2.gz OFRZUPJLYJETOK-MRXNPFEDSA-N -1 3 396.281 3.905 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2Cc1ccsc1C(=O)[O-] ZINC001590167963 989486024 /nfs/dbraw/zinc/48/60/24/989486024.db2.gz DOYGGNRCKNVKFJ-LIRRHRJNSA-N -1 3 380.510 3.716 20 0 GHADHM CN(C)C(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001598143902 990606435 /nfs/dbraw/zinc/60/64/35/990606435.db2.gz JQRHDBVCKNPIBL-MRXNPFEDSA-N -1 3 395.381 3.714 20 0 GHADHM CN(C)C[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccc(F)cc1 ZINC001598203566 990831102 /nfs/dbraw/zinc/83/11/02/990831102.db2.gz YKHUIMJMKYIZQA-QGZVFWFLSA-N -1 3 395.272 3.679 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(COc3ccccc3F)on2)[nH][n-]1 ZINC000468339837 1015600835 /nfs/dbraw/zinc/60/08/35/1015600835.db2.gz SRPYKZDPZHTWGO-UHFFFAOYSA-N -1 3 392.390 3.765 20 0 GHADHM COc1cccc2c(CN[C@@H]3CCc4cc(C(=O)[O-])ccc4NC3=O)cccc12 ZINC001599689969 991052774 /nfs/dbraw/zinc/05/27/74/991052774.db2.gz XODZQMZMCQTYAZ-HXUWFJFHSA-N -1 3 390.439 3.590 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001590981516 991142002 /nfs/dbraw/zinc/14/20/02/991142002.db2.gz VXAJYYUHFJYFNW-AWRGLXIESA-N -1 3 394.515 3.518 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001590993753 991215799 /nfs/dbraw/zinc/21/57/99/991215799.db2.gz 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Cc1[nH]nc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1-c1ccccc1F ZINC001149723958 1030283354 /nfs/dbraw/zinc/28/33/54/1030283354.db2.gz AYCXPXFYWGHVMA-UHFFFAOYSA-N -1 3 398.344 3.896 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001217470772 1030418806 /nfs/dbraw/zinc/41/88/06/1030418806.db2.gz FDZDMYRRTPAQNQ-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccc(OC(F)F)cc4)no3)n[n-]c21 ZINC001217470772 1030418814 /nfs/dbraw/zinc/41/88/14/1030418814.db2.gz FDZDMYRRTPAQNQ-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM COc1cc(Br)ccc1-c1noc(-c2ccc3[nH][n-]c(=O)c3c2)n1 ZINC001217473506 1030422115 /nfs/dbraw/zinc/42/21/15/1030422115.db2.gz KFHMCVSZSKMTOZ-UHFFFAOYSA-N -1 3 387.193 3.757 20 0 GHADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc([O-])c5ncccc45)n3)cn2)n1 ZINC001217492289 1030438679 /nfs/dbraw/zinc/43/86/79/1030438679.db2.gz RLQKCIMPCVCLHK-UHFFFAOYSA-N -1 3 384.399 3.855 20 0 GHADHM COc1ccc2cc([O-])c(-c3nc(-c4cnc(OC)cc4OC)no3)cc2c1 ZINC001217525366 1030466373 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3.998 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)ccc2NC2CC2)c(Cl)c1 ZINC001150692493 1030613243 /nfs/dbraw/zinc/61/32/43/1030613243.db2.gz ANILAPKXVRQMLX-UHFFFAOYSA-N -1 3 397.859 3.677 20 0 GHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001150768104 1030647911 /nfs/dbraw/zinc/64/79/11/1030647911.db2.gz IBGMQCNCCFCXOR-SNVBAGLBSA-N -1 3 385.208 3.598 20 0 GHADHM O=c1c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218088769 1030764861 /nfs/dbraw/zinc/76/48/61/1030764861.db2.gz BRCGFXVNTUNQBI-JPYJTQIMSA-N -1 3 393.439 3.782 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1c(N)cc(Cl)nc1Cl ZINC001151365087 1030880038 /nfs/dbraw/zinc/88/00/38/1030880038.db2.gz RTCBPVPDVMABHW-UHFFFAOYSA-N -1 3 393.230 3.881 20 0 GHADHM O=C(N[C@@H](CCc1ccccc1)c1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC001151803148 1031006676 /nfs/dbraw/zinc/00/66/76/1031006676.db2.gz DMSKANUEYQDFKK-SFHVURJKSA-N -1 3 375.407 3.596 20 0 GHADHM Cn1nc(C(C)(C)C)cc1NC(=O)c1nc2cc(Br)ccc2[n-]1 ZINC001151821366 1031017969 /nfs/dbraw/zinc/01/79/69/1031017969.db2.gz LSITWNURCCIOPE-UHFFFAOYSA-N -1 3 376.258 3.609 20 0 GHADHM Cn1nc(C(C)(C)C)cc1NC(=O)c1nc2ccc(Br)cc2[n-]1 ZINC001151821366 1031017986 /nfs/dbraw/zinc/01/79/86/1031017986.db2.gz LSITWNURCCIOPE-UHFFFAOYSA-N -1 3 376.258 3.609 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3NCC(F)(F)F)nc21 ZINC001152027827 1031080223 /nfs/dbraw/zinc/08/02/23/1031080223.db2.gz IXBOFPYNNLZXMF-UHFFFAOYSA-N -1 3 392.337 3.576 20 0 GHADHM N[C@@H](Cc1ccnc2ccccc12)C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001218926707 1031155092 /nfs/dbraw/zinc/15/50/92/1031155092.db2.gz UDLMRUQSCMXOMO-ZDUSSCGKSA-N -1 3 376.243 3.756 20 0 GHADHM Cc1cnc2ccccc2c1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001218959500 1031179050 /nfs/dbraw/zinc/17/90/50/1031179050.db2.gz GJCFCCBOKUZSFW-UHFFFAOYSA-N -1 3 386.249 3.755 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2occc2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001153020616 1031432834 /nfs/dbraw/zinc/43/28/34/1031432834.db2.gz XIXCWIMMUQMOJY-UHFFFAOYSA-N -1 3 390.392 3.761 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=O)ncc2C(F)(F)F)CC1(C)C ZINC001225577292 1031487866 /nfs/dbraw/zinc/48/78/66/1031487866.db2.gz UUWLWNUSNVYUQL-JTQLQIEISA-N -1 3 391.390 3.758 20 0 GHADHM N[C@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC001219549984 1031493759 /nfs/dbraw/zinc/49/37/59/1031493759.db2.gz IOVRKWTUVYZSSX-MRXNPFEDSA-N -1 3 391.258 3.913 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1c(C)c2ccccc2nc1SC ZINC001219619331 1031526921 /nfs/dbraw/zinc/52/69/21/1031526921.db2.gz IHZUKZIKASQDOZ-UHFFFAOYSA-N -1 3 377.466 3.660 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1c(C)c2ccccc2nc1SC ZINC001219619331 1031526931 /nfs/dbraw/zinc/52/69/31/1031526931.db2.gz IHZUKZIKASQDOZ-UHFFFAOYSA-N -1 3 377.466 3.660 20 0 GHADHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](COc1ccccc1)c1ccccc1 ZINC001225898433 1031682217 /nfs/dbraw/zinc/68/22/17/1031682217.db2.gz AKXWFFJHTOGYGU-GOSISDBHSA-N -1 3 380.400 3.558 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CC[C@H]1COCc1ccccc1 ZINC001153904910 1031802521 /nfs/dbraw/zinc/80/25/21/1031802521.db2.gz ONPJPRHSUXWCND-INIZCTEOSA-N -1 3 382.847 3.613 20 0 GHADHM CC(C)(C)OC(=O)Nc1cnc(NC(=O)c2c([O-])cc3ccccc3c2O)cn1 ZINC001154023245 1031880250 /nfs/dbraw/zinc/88/02/50/1031880250.db2.gz PZVSWMYYQHOQGG-UHFFFAOYSA-N -1 3 396.403 3.640 20 0 GHADHM COC(=O)[C@H]1CCN(C(=O)c2c(O)cc3ccccc3c2[O-])[C@H]1c1ccccc1 ZINC001154028562 1031886942 /nfs/dbraw/zinc/88/69/42/1031886942.db2.gz YTLQHTVOFBXXHD-PXNSSMCTSA-N -1 3 391.423 3.627 20 0 GHADHM CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154114303 1031934756 /nfs/dbraw/zinc/93/47/56/1031934756.db2.gz BSJDOWIMEHHELT-IVZQSRNASA-N -1 3 386.492 3.940 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cc(Br)cc2[nH]ccc21 ZINC001154185019 1031971981 /nfs/dbraw/zinc/97/19/81/1031971981.db2.gz MWVJIZRDQFJZBE-UHFFFAOYSA-N -1 3 399.204 3.537 20 0 GHADHM CCc1cccc(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)c1[O-] ZINC001154210439 1031986355 /nfs/dbraw/zinc/98/63/55/1031986355.db2.gz UOIQZXYSYHLRQP-UHFFFAOYSA-N -1 3 396.212 3.895 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3F)cc12 ZINC001226531491 1031997583 /nfs/dbraw/zinc/99/75/83/1031997583.db2.gz AXMJRDAOWOAGHS-DYVFJYSZSA-N -1 3 393.411 3.533 20 0 GHADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001226597217 1032032072 /nfs/dbraw/zinc/03/20/72/1032032072.db2.gz RJBDAWVANKHXHV-CYBMUJFWSA-N -1 3 389.448 3.913 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598960 1032035488 /nfs/dbraw/zinc/03/54/88/1032035488.db2.gz IVEYBDOZSOWVRM-SWLSCSKDSA-N -1 3 375.421 3.523 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598954 1032036195 /nfs/dbraw/zinc/03/61/95/1032036195.db2.gz IVEYBDOZSOWVRM-DOMZBBRYSA-N -1 3 375.421 3.523 20 0 GHADHM COC[C@@H](C)OC[C@@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267142 1033379872 /nfs/dbraw/zinc/37/98/72/1033379872.db2.gz IZKQMDNIAANMDU-HUUCEWRRSA-N -1 3 384.428 3.984 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H]1CCc2ccc(Br)cc21 ZINC001229338149 1033423560 /nfs/dbraw/zinc/42/35/60/1033423560.db2.gz VNXUZUJVULAEHO-AWEZNQCLSA-N -1 3 387.237 3.704 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H]1CCc2ccc(Br)cc21 ZINC001229338149 1033423565 /nfs/dbraw/zinc/42/35/65/1033423565.db2.gz VNXUZUJVULAEHO-AWEZNQCLSA-N -1 3 387.237 3.704 20 0 GHADHM C[C@H](c1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1)C(F)(F)F ZINC001157233815 1033486168 /nfs/dbraw/zinc/48/61/68/1033486168.db2.gz LJHGEYYGHHNXCQ-SFYZADRCSA-N -1 3 380.292 3.980 20 0 GHADHM COc1ccc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c([O-])c1 ZINC001157533908 1033646115 /nfs/dbraw/zinc/64/61/15/1033646115.db2.gz HVPXUIAOLXUKNS-IBGZPJMESA-N -1 3 375.852 3.952 20 0 GHADHM CCN1CCC(Oc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O)CC1 ZINC001229750765 1033686262 /nfs/dbraw/zinc/68/62/62/1033686262.db2.gz KLTAPXZZRGLHPE-UHFFFAOYSA-N -1 3 381.428 3.734 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(C)c(Br)c2)c([O-])c(OC)c1 ZINC001158238839 1033981098 /nfs/dbraw/zinc/98/10/98/1033981098.db2.gz IYYBYKNQYNXZRX-UHFFFAOYSA-N -1 3 394.221 3.511 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158344295 1034035223 /nfs/dbraw/zinc/03/52/23/1034035223.db2.gz BKBPINOWPBCIAR-ZDUSSCGKSA-N -1 3 399.834 3.826 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158344295 1034035238 /nfs/dbraw/zinc/03/52/38/1034035238.db2.gz BKBPINOWPBCIAR-ZDUSSCGKSA-N -1 3 399.834 3.826 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001158345597 1034036242 /nfs/dbraw/zinc/03/62/42/1034036242.db2.gz NIJXELZJJRPAAQ-KKSFZXQISA-N -1 3 379.391 3.590 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001158345597 1034036255 /nfs/dbraw/zinc/03/62/55/1034036255.db2.gz NIJXELZJJRPAAQ-KKSFZXQISA-N -1 3 379.391 3.590 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1ccccc1 ZINC001230886664 1034271791 /nfs/dbraw/zinc/27/17/91/1034271791.db2.gz RQWPJLIEXJTAPC-QGZVFWFLSA-N -1 3 385.851 3.977 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)C1(c2c(F)cccc2F)CCC1 ZINC001158792906 1034273223 /nfs/dbraw/zinc/27/32/23/1034273223.db2.gz SBATYNDCLORZRI-HDJSIYSDSA-N -1 3 387.430 3.725 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)nc21 ZINC001158873386 1034314897 /nfs/dbraw/zinc/31/48/97/1034314897.db2.gz HBQAZLRGGVPDSM-GFCCVEGCSA-N -1 3 397.406 3.726 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231075753 1034380774 /nfs/dbraw/zinc/38/07/74/1034380774.db2.gz HBIPJAYIJBOMSN-RISCZKNCSA-N -1 3 395.406 3.591 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC[C@H]1CCC(c2ccccc2)=NO1 ZINC001231089758 1034390574 /nfs/dbraw/zinc/39/05/74/1034390574.db2.gz YQUVGHUQYCSEAW-CYBMUJFWSA-N -1 3 390.823 3.579 20 0 GHADHM O=C(c1ccc([O-])cc1)c1ccccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001231232189 1034475234 /nfs/dbraw/zinc/47/52/34/1034475234.db2.gz YXKLIELMCMBKFE-PUZFROQSSA-N -1 3 381.472 3.645 20 0 GHADHM O=C([O-])c1ccc(F)c(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c1 ZINC001231459177 1034602431 /nfs/dbraw/zinc/60/24/31/1034602431.db2.gz JDNLIPMDPYDTCA-UHFFFAOYSA-N -1 3 395.409 3.721 20 0 GHADHM CN(C)C(=O)N1CCCC12CCN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001231521740 1034671465 /nfs/dbraw/zinc/67/14/65/1034671465.db2.gz IBIBUPABIIQDQZ-UHFFFAOYSA-N -1 3 385.430 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc([O-])c(C(F)(F)F)c3)C[C@H]21 ZINC001231522008 1034672069 /nfs/dbraw/zinc/67/20/69/1034672069.db2.gz BFDUZYFGEBSNTD-DZGCQCFKSA-N -1 3 386.414 3.852 20 0 GHADHM [O-]c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1C(F)(F)F ZINC001231524570 1034677343 /nfs/dbraw/zinc/67/73/43/1034677343.db2.gz MSEUCJMHGWYLOM-UHFFFAOYSA-N -1 3 377.366 3.874 20 0 GHADHM CC1(C)C=Cc2cccc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)c2O1 ZINC001207997432 1034699600 /nfs/dbraw/zinc/69/96/00/1034699600.db2.gz SGXWWWNKSAFZMD-UHFFFAOYSA-N -1 3 376.420 3.619 20 0 GHADHM CC1(C)C=Cc2cccc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)c2O1 ZINC001207997432 1034699605 /nfs/dbraw/zinc/69/96/05/1034699605.db2.gz SGXWWWNKSAFZMD-UHFFFAOYSA-N -1 3 376.420 3.619 20 0 GHADHM Cc1nc(CN2CCN(Cc3nc(C)ccc3[O-])Cc3ccc(C)nc32)cs1 ZINC001231671380 1034825782 /nfs/dbraw/zinc/82/57/82/1034825782.db2.gz UQLUTNVOBRSRCO-UHFFFAOYSA-N -1 3 395.532 3.586 20 0 GHADHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1occc1Br ZINC001208287994 1034847330 /nfs/dbraw/zinc/84/73/30/1034847330.db2.gz AUGOBCGJLFOSRK-UHFFFAOYSA-N -1 3 396.262 3.682 20 0 GHADHM COCCN(Cc1ccc(Cl)c([O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231736081 1034870369 /nfs/dbraw/zinc/87/03/69/1034870369.db2.gz ZUULPMMLJHCBBQ-HNNXBMFYSA-N -1 3 384.904 3.503 20 0 GHADHM COc1ccc(CN2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cc1C(=O)[O-] ZINC001231753489 1034882914 /nfs/dbraw/zinc/88/29/14/1034882914.db2.gz OXSXOQVZLUNUIH-CVDCTZTESA-N -1 3 381.472 3.932 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN([C@H](C)c3ccccc3)C2)sc1Cl ZINC001208534110 1034927130 /nfs/dbraw/zinc/92/71/30/1034927130.db2.gz HATMNUYNWAUETQ-UKRRQHHQSA-N -1 3 384.954 3.824 20 0 GHADHM CO[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccc(Br)s1 ZINC001160320918 1034939650 /nfs/dbraw/zinc/93/96/50/1034939650.db2.gz GGQZSACWJWXWGR-CQSZACIVSA-N -1 3 384.251 3.745 20 0 GHADHM CCOc1cc2c(cc1NC(=O)c1c[n-]c3ccc(C)cc3c1=O)O[C@H](C)C2 ZINC001160677918 1035032231 /nfs/dbraw/zinc/03/22/31/1035032231.db2.gz GAHTXJYJYXEMGW-CYBMUJFWSA-N -1 3 378.428 3.811 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)c2n[n-]c3ccccc3c2=O)N(C)C)cc1 ZINC001160750617 1035055721 /nfs/dbraw/zinc/05/57/21/1035055721.db2.gz QIZJJZKQEJAHCN-FQEVSTJZSA-N -1 3 392.503 3.567 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)CCCCC1 ZINC001160948428 1035102255 /nfs/dbraw/zinc/10/22/55/1035102255.db2.gz KBKFRHMHVFSWFA-UHFFFAOYSA-N -1 3 375.476 3.940 20 0 GHADHM Cc1ccccc1C1(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)CCCCC1 ZINC001160948428 1035102259 /nfs/dbraw/zinc/10/22/59/1035102259.db2.gz KBKFRHMHVFSWFA-UHFFFAOYSA-N -1 3 375.476 3.940 20 0 GHADHM CC(C)(C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC001160949239 1035102306 /nfs/dbraw/zinc/10/23/06/1035102306.db2.gz VDJBZYLGRCNFIF-UHFFFAOYSA-N -1 3 389.381 3.726 20 0 GHADHM CC(C)(C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC001160949239 1035102308 /nfs/dbraw/zinc/10/23/08/1035102308.db2.gz VDJBZYLGRCNFIF-UHFFFAOYSA-N -1 3 389.381 3.726 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC001161197926 1035176661 /nfs/dbraw/zinc/17/66/61/1035176661.db2.gz JOXKHJXNVRHQIE-UHFFFAOYSA-N -1 3 378.766 3.870 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(Cl)ccc3OC(F)F)c2c1=O ZINC001161521793 1035249333 /nfs/dbraw/zinc/24/93/33/1035249333.db2.gz VLWYWICDKMKUSA-UHFFFAOYSA-N -1 3 396.781 3.560 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cccc(Br)c1F ZINC001209469857 1035283673 /nfs/dbraw/zinc/28/36/73/1035283673.db2.gz RZYCSBCAJKETPR-ZDUSSCGKSA-N -1 3 388.233 3.693 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241295735 1035551748 /nfs/dbraw/zinc/55/17/48/1035551748.db2.gz ZBTZPTJBCSHUDU-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244495792 1036523057 /nfs/dbraw/zinc/52/30/57/1036523057.db2.gz JRACDXPEFIWTMJ-UHFFFAOYSA-N -1 3 397.431 3.797 20 0 GHADHM C[C@@H](CC1CCCCC1)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001462212838 1070088325 /nfs/dbraw/zinc/08/83/25/1070088325.db2.gz VODIKMJBOOAVOA-LBPRGKRZSA-N -1 3 387.571 3.765 20 0 GHADHM COc1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c(Br)c1 ZINC001247564297 1038250577 /nfs/dbraw/zinc/25/05/77/1038250577.db2.gz GGRATSLZJIZZOP-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2Cc1cccc([O-])c1Cl ZINC001232787890 1038554785 /nfs/dbraw/zinc/55/47/85/1038554785.db2.gz UESLGIGXCQNTNS-NRFANRHFSA-N -1 3 385.895 3.598 20 0 GHADHM Cc1ccc2c(c1)CCN(Cc1ccc([O-])c(I)c1)C2 ZINC001232875253 1038644162 /nfs/dbraw/zinc/64/41/62/1038644162.db2.gz XUOBCIBOFIOHIG-UHFFFAOYSA-N -1 3 379.241 3.864 20 0 GHADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001462295539 1070151927 /nfs/dbraw/zinc/15/19/27/1070151927.db2.gz SASDPNVSYGKBAD-UHFFFAOYSA-N -1 3 388.683 3.869 20 0 GHADHM [O-]c1c(F)ccc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1F ZINC001232936083 1038717089 /nfs/dbraw/zinc/71/70/89/1038717089.db2.gz OVPWTMBQOHTCGX-KRWDZBQOSA-N -1 3 381.463 3.716 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])c(F)c(F)c1 ZINC001232973769 1038744653 /nfs/dbraw/zinc/74/46/53/1038744653.db2.gz LYRGXMIQTFMUDQ-LQDVMPOASA-N -1 3 382.451 3.938 20 0 GHADHM [O-]c1cccc(CN2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)c1F ZINC001233053556 1038811057 /nfs/dbraw/zinc/81/10/57/1038811057.db2.gz SODXLLZVDFVNCX-UHFFFAOYSA-N -1 3 389.780 3.921 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1F ZINC001233054240 1038816188 /nfs/dbraw/zinc/81/61/88/1038816188.db2.gz GQWGPKROGYKULQ-UHFFFAOYSA-N -1 3 384.373 3.748 20 0 GHADHM COc1ccc(CN2CCC(NC(=O)c3cccc(F)c3)CC2)c(Cl)c1[O-] ZINC001233401839 1039244056 /nfs/dbraw/zinc/24/40/56/1039244056.db2.gz QDHAETNVLYNGCE-UHFFFAOYSA-N -1 3 392.858 3.588 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccn2c(Br)cnc12 ZINC001252958618 1039298692 /nfs/dbraw/zinc/29/86/92/1039298692.db2.gz WFBNOTFWGQSXSE-CSKARUKUSA-N -1 3 378.251 3.509 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2cc([O-])c(F)cc2F)cc1 ZINC001253426815 1039623660 /nfs/dbraw/zinc/62/36/60/1039623660.db2.gz TTZUMQQKQHZGLV-AWEZNQCLSA-N -1 3 379.403 3.598 20 0 GHADHM CCN1CCC(Oc2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)CC1 ZINC001233813721 1039636282 /nfs/dbraw/zinc/63/62/82/1039636282.db2.gz KIQBGMNBCIQACF-UHFFFAOYSA-N -1 3 381.428 3.734 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@H](Oc3c(Cl)ccc([O-])c3F)CC[C@@H]21 ZINC001234264345 1039944300 /nfs/dbraw/zinc/94/43/00/1039944300.db2.gz QMAMNSXIHBGJGF-NORZTCDRSA-N -1 3 387.835 3.730 20 0 GHADHM O=S(=O)([N-]c1ncc(F)cc1Br)c1ccc(F)c(Cl)c1 ZINC001254875007 1040620806 /nfs/dbraw/zinc/62/08/06/1040620806.db2.gz NBEWZXLUEFPPEV-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)NCCC2CC=CC2)c2ccccc21)C(F)(F)F ZINC001255219621 1040911591 /nfs/dbraw/zinc/91/15/91/1040911591.db2.gz ZMKAHSSAICHRBI-HNNXBMFYSA-N -1 3 395.425 3.725 20 0 GHADHM O=c1cc(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)[n-]c2ccc(F)cc12 ZINC001255395352 1040983288 /nfs/dbraw/zinc/98/32/88/1040983288.db2.gz DSCBTOVMGGBJSE-HNNXBMFYSA-N -1 3 390.418 3.707 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)cn1 ZINC001255786883 1041292277 /nfs/dbraw/zinc/29/22/77/1041292277.db2.gz ZPRLEZCSUJUSCI-UHFFFAOYSA-N -1 3 397.378 3.880 20 0 GHADHM [O-]c1cc(F)c(CN2CCN[C@@H](c3cccc(Br)c3)C2)c(F)c1 ZINC001235797637 1041299234 /nfs/dbraw/zinc/29/92/34/1041299234.db2.gz GLFGSLCRHZDXBS-QGZVFWFLSA-N -1 3 383.236 3.579 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccc(Cl)c(C(=O)[O-])c1F ZINC001236148688 1041571968 /nfs/dbraw/zinc/57/19/68/1041571968.db2.gz RUIIYPUDUVXJDE-UHFFFAOYSA-N -1 3 379.819 3.683 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)c(F)c1F ZINC001256200678 1041646249 /nfs/dbraw/zinc/64/62/49/1041646249.db2.gz YXLCBPZDKUNHBL-UHFFFAOYSA-N -1 3 389.807 3.822 20 0 GHADHM CCOC(=O)c1cc2c(s1)CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683489 1041828961 /nfs/dbraw/zinc/82/89/61/1041828961.db2.gz ALURSVKJJGUROC-UHFFFAOYSA-N -1 3 396.306 3.951 20 0 GHADHM [O-]c1cc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)ccc1Br ZINC001236683522 1041829065 /nfs/dbraw/zinc/82/90/65/1041829065.db2.gz DVSCTQGGIQEIMY-QFBILLFUSA-N -1 3 396.325 3.705 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(Br)c([O-])c1 ZINC001236684419 1041830224 /nfs/dbraw/zinc/83/02/24/1041830224.db2.gz RQSNYDOQELQHSP-LBPRGKRZSA-N -1 3 385.302 3.596 20 0 GHADHM COC(=O)[C@H]1CN(Cc2ccc(Br)c([O-])c2)C[C@@H]1c1ccccc1 ZINC001236684983 1041830398 /nfs/dbraw/zinc/83/03/98/1041830398.db2.gz AOQLNKLDTOBWIW-CVEARBPZSA-N -1 3 390.277 3.543 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2ccc(Br)c([O-])c2)C1 ZINC001236684630 1041830515 /nfs/dbraw/zinc/83/05/15/1041830515.db2.gz UZOCBZDCVNUKDN-UKRRQHHQSA-N -1 3 397.313 3.596 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1ccc(Br)c([O-])c1 ZINC001236684592 1041830574 /nfs/dbraw/zinc/83/05/74/1041830574.db2.gz UFYMAKPYUVORSA-LSDHHAIUSA-N -1 3 397.313 3.738 20 0 GHADHM Cc1ccc(C2(O)CCN(Cc3ccc(Br)c([O-])c3)CC2)cc1 ZINC001236692011 1041834636 /nfs/dbraw/zinc/83/46/36/1041834636.db2.gz NDYIAKLXRUJLHE-UHFFFAOYSA-N -1 3 376.294 3.947 20 0 GHADHM C[C@H]1CN(Cc2ccc(Br)c([O-])c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001236691953 1041834732 /nfs/dbraw/zinc/83/47/32/1041834732.db2.gz MSWQSHURLQHVLZ-ZDUSSCGKSA-N -1 3 399.329 3.844 20 0 GHADHM CCOC(=O)C1(C(C)C)CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236695663 1041836571 /nfs/dbraw/zinc/83/65/71/1041836571.db2.gz NEQLLCQDNCPJIJ-UHFFFAOYSA-N -1 3 384.314 3.956 20 0 GHADHM CN(C[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C1)C(=O)OC(C)(C)C ZINC001236699439 1041839643 /nfs/dbraw/zinc/83/96/43/1041839643.db2.gz VPJRRPGRDVCICW-AWEZNQCLSA-N -1 3 399.329 3.844 20 0 GHADHM O=C1CN(Cc2ccc(Br)c([O-])c2)CCN1c1cccc(Cl)c1 ZINC001236699890 1041839780 /nfs/dbraw/zinc/83/97/80/1041839780.db2.gz XKGPHLFSGCEYAC-UHFFFAOYSA-N -1 3 395.684 3.657 20 0 GHADHM Cc1nc([C@H]2C[C@@H]3CCN(Cc4sc(=O)[n-]c4Cl)C[C@H]3O2)sc1C ZINC001237151047 1042065308 /nfs/dbraw/zinc/06/53/08/1042065308.db2.gz UZEDQJNBFBPUGJ-QJPTWQEYSA-N -1 3 385.942 3.928 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1sc(=O)[n-]c1Cl)C2 ZINC001237156304 1042067837 /nfs/dbraw/zinc/06/78/37/1042067837.db2.gz CYNNGKURQZLAFM-KRWDZBQOSA-N -1 3 387.933 3.725 20 0 GHADHM CC(C)OCc1nn(CC2CC2)c2c1CN(Cc1sc(=O)[n-]c1Cl)CC2 ZINC001237159120 1042070510 /nfs/dbraw/zinc/07/05/10/1042070510.db2.gz VKOMTCXFRRHEMC-UHFFFAOYSA-N -1 3 396.944 3.592 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1Cl)c1cccnc1Cl ZINC000722376302 1042075336 /nfs/dbraw/zinc/07/53/36/1042075336.db2.gz IFXPCINGRNJXDE-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)c([O-])c(Cl)c1)[C@H]2C ZINC001237991488 1042446761 /nfs/dbraw/zinc/44/67/61/1042446761.db2.gz IWTNQQXLNDXULY-ZDUSSCGKSA-N -1 3 380.895 3.798 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001238146023 1042503484 /nfs/dbraw/zinc/50/34/84/1042503484.db2.gz DJTGIAQEFRGSOI-BLLLJJGKSA-N -1 3 381.904 3.738 20 0 GHADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001238232969 1042526890 /nfs/dbraw/zinc/52/68/90/1042526890.db2.gz GTSGIPQVALTQFF-HIFRSBDPSA-N -1 3 380.460 3.507 20 0 GHADHM O=S(=O)([N-][C@H]1CNCc2ccsc21)c1ccc(Cl)c(Cl)c1Cl ZINC001238313632 1042552835 /nfs/dbraw/zinc/55/28/35/1042552835.db2.gz OLNHTTUTYBBAOE-VIFPVBQESA-N -1 3 397.736 3.831 20 0 GHADHM O=S(=O)([N-][C@@H]1CNc2ccccc21)c1cc(Br)ccc1Cl ZINC001238800532 1042734478 /nfs/dbraw/zinc/73/44/78/1042734478.db2.gz KIHMBKDRJBFXTN-CYBMUJFWSA-N -1 3 387.686 3.548 20 0 GHADHM COc1ccccc1N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC001462654977 1070446029 /nfs/dbraw/zinc/44/60/29/1070446029.db2.gz OMLAJVHFVPJVLZ-UHFFFAOYSA-N -1 3 391.309 3.876 20 0 GHADHM FC(F)(F)c1cc(-c2ccc(C3(N4CCOCC4)CC3)cc2)nc(=S)[n-]1 ZINC001240854083 1042959270 /nfs/dbraw/zinc/95/92/70/1042959270.db2.gz YJVRJBKFCSKEKI-UHFFFAOYSA-N -1 3 381.423 3.772 20 0 GHADHM Cc1ccc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c([O-])c1 ZINC001241035883 1042970754 /nfs/dbraw/zinc/97/07/54/1042970754.db2.gz HVYQZXMHOJUTNM-UHFFFAOYSA-N -1 3 381.501 3.693 20 0 GHADHM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000737943962 1043225475 /nfs/dbraw/zinc/22/54/75/1043225475.db2.gz KCAUZBMIIFRBAM-UHFFFAOYSA-N -1 3 383.517 3.678 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC001256648616 1043593301 /nfs/dbraw/zinc/59/33/01/1043593301.db2.gz WXLNCJCHICPRAT-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM CC(C)(CNC(=O)c1cc([O-])cc(Br)c1)c1ccc2c(c1)OCO2 ZINC001292217654 1043632538 /nfs/dbraw/zinc/63/25/38/1043632538.db2.gz UXAVKTYMKWQHAI-UHFFFAOYSA-N -1 3 392.249 3.591 20 0 GHADHM COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(C)ccc3[O-])s2)c1 ZINC001292585345 1043795910 /nfs/dbraw/zinc/79/59/10/1043795910.db2.gz UOCOSOQMQQXKEV-UHFFFAOYSA-N -1 3 382.441 3.787 20 0 GHADHM CCOC(=O)C1=C([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC001257284962 1043957480 /nfs/dbraw/zinc/95/74/80/1043957480.db2.gz ZTLGDVGDTSYNQQ-UHFFFAOYSA-N -1 3 378.277 3.663 20 0 GHADHM COc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC001257288305 1043957999 /nfs/dbraw/zinc/95/79/99/1043957999.db2.gz AUHGSXGFQJNOKH-CYBMUJFWSA-N -1 3 386.300 3.838 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)o1)c1cccc(Cl)c1Cl ZINC001257294099 1043958979 /nfs/dbraw/zinc/95/89/79/1043958979.db2.gz YBNCTICZFMPDSD-UHFFFAOYSA-N -1 3 385.066 3.827 20 0 GHADHM O=S(=O)([N-]CCC1CCC2(CC1)OCCO2)c1cccc(Cl)c1Cl ZINC001257294111 1043959451 /nfs/dbraw/zinc/95/94/51/1043959451.db2.gz YYBZGJKAOVTNKM-UHFFFAOYSA-N -1 3 394.320 3.595 20 0 GHADHM COc1cccnc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC001257307009 1043962430 /nfs/dbraw/zinc/96/24/30/1043962430.db2.gz WNTCBAKVZQESSF-HNNXBMFYSA-N -1 3 387.288 3.827 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC3(CCCCC3)C2)c(Cl)c1 ZINC001293042504 1043996526 /nfs/dbraw/zinc/99/65/26/1043996526.db2.gz LSHPOZBFMKYUFK-UHFFFAOYSA-N -1 3 384.929 3.898 20 0 GHADHM CC(C)Oc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)c1 ZINC001257529593 1044033485 /nfs/dbraw/zinc/03/34/85/1044033485.db2.gz YWDHIFMWWJPYGJ-UHFFFAOYSA-N -1 3 381.306 3.716 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cn1)c1c(Cl)cccc1Cl ZINC001257770797 1044161186 /nfs/dbraw/zinc/16/11/86/1044161186.db2.gz XRMVJTCKSDDEET-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM Cn1c2ccccc2nc1CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257775455 1044164859 /nfs/dbraw/zinc/16/48/59/1044164859.db2.gz DJGNDOUWOCWZSM-UHFFFAOYSA-N -1 3 398.315 3.791 20 0 GHADHM O=S(=O)([N-][C@H](CO)Cc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC001257780591 1044167671 /nfs/dbraw/zinc/16/76/71/1044167671.db2.gz UBLSACCPCSAGMJ-NSHDSACASA-N -1 3 394.707 3.529 20 0 GHADHM CCc1ccc(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001294114977 1044477852 /nfs/dbraw/zinc/47/78/52/1044477852.db2.gz OMJMJJKOKNKMBK-KRWDZBQOSA-N -1 3 378.513 3.966 20 0 GHADHM O=C(CCCc1ccc(C2CC2)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294673898 1044758880 /nfs/dbraw/zinc/75/88/80/1044758880.db2.gz UTJLGHOYOKFSPI-UHFFFAOYSA-N -1 3 392.499 3.577 20 0 GHADHM CCCCc1ccc(N2C[C@H](C(=O)NCc3ccc([O-])c(F)c3)CC2=O)cc1 ZINC001294867526 1044820738 /nfs/dbraw/zinc/82/07/38/1044820738.db2.gz JXKZAIPAFUUDQS-QGZVFWFLSA-N -1 3 384.451 3.543 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ncc(Cl)cc1Cl ZINC001294877383 1044827131 /nfs/dbraw/zinc/82/71/31/1044827131.db2.gz PNDPDQCSGMNAIJ-UHFFFAOYSA-N -1 3 376.037 3.787 20 0 GHADHM COc1cc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc(OC)c1O ZINC001294909010 1044837753 /nfs/dbraw/zinc/83/77/53/1044837753.db2.gz LBQGIJFBTNWWOU-UHFFFAOYSA-N -1 3 395.411 3.837 20 0 GHADHM COc1cc(CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C2CC2)ccc1O ZINC001294923870 1044841403 /nfs/dbraw/zinc/84/14/03/1044841403.db2.gz WZNGTTFPHJCSPF-UHFFFAOYSA-N -1 3 398.846 3.701 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2nsnc2cc1Cl ZINC001258937462 1044894052 /nfs/dbraw/zinc/89/40/52/1044894052.db2.gz FLYDWLCHHNVDLY-UHFFFAOYSA-N -1 3 390.273 3.808 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2Cl)c(OC)c1 ZINC001258959719 1044906964 /nfs/dbraw/zinc/90/69/64/1044906964.db2.gz KNVVCVPFHDFKBD-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)c(Cl)c1F)C(=O)C2 ZINC001258973006 1044913440 /nfs/dbraw/zinc/91/34/40/1044913440.db2.gz SKIOEINORHVQBC-FVMDXXJSSA-N -1 3 377.840 3.755 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ncc(Cl)cc1Cl)C(=O)C2 ZINC001258979363 1044916773 /nfs/dbraw/zinc/91/67/73/1044916773.db2.gz RQZSXZIBJZJLES-RFAUZJTJSA-N -1 3 377.293 3.526 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cnc3c(ccc(F)c3F)c1)C(=O)C2 ZINC001258980271 1044917407 /nfs/dbraw/zinc/91/74/07/1044917407.db2.gz YKMDOMPUZCROQW-CWTRNNRKSA-N -1 3 394.443 3.650 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Cl)c1cc(F)c(F)cc1F ZINC001259034477 1044927283 /nfs/dbraw/zinc/92/72/83/1044927283.db2.gz FEYMUSGSNCUYSC-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM Cc1cccc(Br)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259039937 1044929845 /nfs/dbraw/zinc/92/98/45/1044929845.db2.gz RFJSOLXILIMERO-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1C(F)(F)F ZINC001259042655 1044931080 /nfs/dbraw/zinc/93/10/80/1044931080.db2.gz DNNPKRJOHQFQSJ-UHFFFAOYSA-N -1 3 383.313 3.910 20 0 GHADHM COc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC001259062723 1044943605 /nfs/dbraw/zinc/94/36/05/1044943605.db2.gz CVNBYRHWXPTQAK-SNVBAGLBSA-N -1 3 390.324 3.601 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C(F)(F)F)c(C)c1 ZINC001259100588 1044961213 /nfs/dbraw/zinc/96/12/13/1044961213.db2.gz YLMKBBCYPBXGCR-UHFFFAOYSA-N -1 3 398.406 3.556 20 0 GHADHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001295254710 1044966437 /nfs/dbraw/zinc/96/64/37/1044966437.db2.gz MJNZYLBZGCNSPA-OAHLLOKOSA-N -1 3 384.863 3.595 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)cc1Cl ZINC001259130865 1044974677 /nfs/dbraw/zinc/97/46/77/1044974677.db2.gz DTJIKFITDSDVJF-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(F)(F)CC3)cc2)cc1 ZINC001259177594 1044993673 /nfs/dbraw/zinc/99/36/73/1044993673.db2.gz IQWUMFAKXSVMHW-UHFFFAOYSA-N -1 3 394.443 3.926 20 0 GHADHM CCCC[C@](CC)([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001259244543 1045039394 /nfs/dbraw/zinc/03/93/94/1045039394.db2.gz BBTCHJYXBIHNTL-KRWDZBQOSA-N -1 3 375.918 3.662 20 0 GHADHM O=S(=O)([N-]c1cccc(CCc2ccccn2)c1)c1ccc2c(c1)CCO2 ZINC001259349466 1045094363 /nfs/dbraw/zinc/09/43/63/1045094363.db2.gz HJVIMCGFWBISHW-UHFFFAOYSA-N -1 3 380.469 3.603 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1OC(F)F ZINC001259370141 1045106037 /nfs/dbraw/zinc/10/60/37/1045106037.db2.gz JFBWGOCBSRABHJ-UHFFFAOYSA-N -1 3 379.388 3.583 20 0 GHADHM CC(C)Oc1cccc(F)c1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259370280 1045106121 /nfs/dbraw/zinc/10/61/21/1045106121.db2.gz HRTFOAPDWCTANK-UHFFFAOYSA-N -1 3 375.425 3.599 20 0 GHADHM O=S(=O)([N-]c1ccc2c(Cl)ccnc2c1)c1ccc(-n2cccn2)cc1 ZINC001259371106 1045107400 /nfs/dbraw/zinc/10/74/00/1045107400.db2.gz ZBNACWCUASWTDP-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(F)c1 ZINC001259401460 1045125066 /nfs/dbraw/zinc/12/50/66/1045125066.db2.gz NIPNJRJPLRATIL-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC001259430471 1045147258 /nfs/dbraw/zinc/14/72/58/1045147258.db2.gz QTBHZAMZXOGKSK-UHFFFAOYSA-N -1 3 383.294 3.987 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c([O-])c1 ZINC001295836154 1045161194 /nfs/dbraw/zinc/16/11/94/1045161194.db2.gz DPZLVKYKGCPELM-UHFFFAOYSA-N -1 3 385.807 3.865 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1C(F)(F)F ZINC001259489977 1045197911 /nfs/dbraw/zinc/19/79/11/1045197911.db2.gz BRLQEAKSLDVUOY-UHFFFAOYSA-N -1 3 390.358 3.912 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)C(F)(F)F ZINC001259491004 1045200682 /nfs/dbraw/zinc/20/06/82/1045200682.db2.gz WXUIHTLHRZBNFB-UHFFFAOYSA-N -1 3 379.306 3.819 20 0 GHADHM CN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2C(C)(C)CC1=O ZINC001259861955 1045322440 /nfs/dbraw/zinc/32/24/40/1045322440.db2.gz QAJSKQFYHZZCLR-UHFFFAOYSA-N -1 3 384.501 3.620 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc2ccccc2c1 ZINC001259863653 1045323759 /nfs/dbraw/zinc/32/37/59/1045323759.db2.gz KAGYEHKSXFAHNW-OAQYLSRUSA-N -1 3 395.480 3.521 20 0 GHADHM COc1cc(NC(=O)c2ccccc2)c(C)cc1[N-]S(=O)(=O)CC(C)C ZINC001259886848 1045328264 /nfs/dbraw/zinc/32/82/64/1045328264.db2.gz ZLTWPFJIYYSOPN-UHFFFAOYSA-N -1 3 376.478 3.654 20 0 GHADHM O=S(=O)([N-]CCC(C(F)(F)F)C(F)(F)F)c1cnc2ccccc2c1 ZINC001260014634 1045355660 /nfs/dbraw/zinc/35/56/60/1045355660.db2.gz FXBBEBOWHJXQFY-UHFFFAOYSA-N -1 3 386.317 3.644 20 0 GHADHM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)ccc2o1 ZINC001260147646 1045398317 /nfs/dbraw/zinc/39/83/17/1045398317.db2.gz SZCLPTYBGFAUEY-UHFFFAOYSA-N -1 3 383.385 3.522 20 0 GHADHM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)cc21 ZINC001260147958 1045398471 /nfs/dbraw/zinc/39/84/71/1045398471.db2.gz HVABMRIEGRPMET-UHFFFAOYSA-N -1 3 381.457 3.667 20 0 GHADHM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC001260243855 1045424308 /nfs/dbraw/zinc/42/43/08/1045424308.db2.gz AMNKEFULSHSFHR-UHFFFAOYSA-N -1 3 389.517 3.927 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1Cl ZINC001260286350 1045444458 /nfs/dbraw/zinc/44/44/58/1045444458.db2.gz NDCOSXORKOBRKT-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM O=c1[nH]cc(-c2ccccn2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260366638 1045477052 /nfs/dbraw/zinc/47/70/52/1045477052.db2.gz CUVGKJFLCBDLQR-UHFFFAOYSA-N -1 3 396.255 3.957 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(F)cc1)c1ccc(Br)cc1F ZINC001260382164 1045484550 /nfs/dbraw/zinc/48/45/50/1045484550.db2.gz UZUHWQQLLGYYNV-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc[nH]c(=O)c3)cc2)cc1C ZINC001260638723 1045585426 /nfs/dbraw/zinc/58/54/26/1045585426.db2.gz ZIHSQBUUZPUZRC-UHFFFAOYSA-N -1 3 386.429 3.697 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)cc1F ZINC001260662151 1045597882 /nfs/dbraw/zinc/59/78/82/1045597882.db2.gz HQCVIGABCVSQDA-UHFFFAOYSA-N -1 3 383.294 3.673 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)cc1F ZINC001260662382 1045598454 /nfs/dbraw/zinc/59/84/54/1045598454.db2.gz OWWBTFVTBYCGTK-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM CC[C@](NC(=O)c1cc(SC)ccc1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC001297721439 1045612105 /nfs/dbraw/zinc/61/21/05/1045612105.db2.gz DAMVDQIHLXPDNL-LJQANCHMSA-N -1 3 393.892 3.976 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cc(Cl)nnc3Cl)ccc2O1 ZINC001260712189 1045619523 /nfs/dbraw/zinc/61/95/23/1045619523.db2.gz DIDLTJWPRQOPBO-UHFFFAOYSA-N -1 3 388.276 3.688 20 0 GHADHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1cnn(Cc2ccccc2)c1 ZINC001260890128 1045744681 /nfs/dbraw/zinc/74/46/81/1045744681.db2.gz YRRAQLMAUBRVPW-UHFFFAOYSA-N -1 3 395.406 3.892 20 0 GHADHM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC001260918593 1045771969 /nfs/dbraw/zinc/77/19/69/1045771969.db2.gz YYYKHDMOPOJRBR-UHFFFAOYSA-N -1 3 396.468 3.568 20 0 GHADHM O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc(O)cc1[O-] ZINC001298405060 1045801040 /nfs/dbraw/zinc/80/10/40/1045801040.db2.gz NSVVJMJKSJVXQJ-UHFFFAOYSA-N -1 3 396.668 3.975 20 0 GHADHM CCc1cccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC001298427967 1045811960 /nfs/dbraw/zinc/81/19/60/1045811960.db2.gz YNSTYHHQSUDVKJ-LIRRHRJNSA-N -1 3 384.451 3.576 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC001261019318 1045844279 /nfs/dbraw/zinc/84/42/79/1045844279.db2.gz QKXCDZDLAIATKB-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1C ZINC001261062147 1045881081 /nfs/dbraw/zinc/88/10/81/1045881081.db2.gz UXOXMQLKTWIRGC-UHFFFAOYSA-N -1 3 394.301 3.628 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(F)ccc1F ZINC001261064797 1045883565 /nfs/dbraw/zinc/88/35/65/1045883565.db2.gz QWRJIZSQNBLPRS-ZETCQYMHSA-N -1 3 395.836 3.506 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1ccncc1C(F)(F)F ZINC001261076535 1045889925 /nfs/dbraw/zinc/88/99/25/1045889925.db2.gz IMKVCNIGTBRGTK-UHFFFAOYSA-N -1 3 385.194 3.771 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1 ZINC001261076661 1045890320 /nfs/dbraw/zinc/89/03/20/1045890320.db2.gz QNHLWSVONMTSDV-UHFFFAOYSA-N -1 3 376.261 3.953 20 0 GHADHM COC(=O)[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1c1ccccc1 ZINC001298949312 1045989388 /nfs/dbraw/zinc/98/93/88/1045989388.db2.gz NFAZQUFQZGCHGO-WOJBJXKFSA-N -1 3 375.424 3.574 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccnc(Oc3ccccc3)c2)[n-]n1 ZINC001299811356 1046048063 /nfs/dbraw/zinc/04/80/63/1046048063.db2.gz KTQCSEYXMBGWOD-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccnc(Oc3ccccc3)c2)n[n-]1 ZINC001299811356 1046048073 /nfs/dbraw/zinc/04/80/73/1046048073.db2.gz KTQCSEYXMBGWOD-UHFFFAOYSA-N -1 3 380.404 3.805 20 0 GHADHM COc1c(Br)cccc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC001261646941 1046051193 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20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(F)=Cc2ccc(F)c(C(F)(F)F)c2)[n-]1 ZINC001301975496 1046772320 /nfs/dbraw/zinc/77/23/20/1046772320.db2.gz VCARQBYLEMAYJS-IZZDOVSWSA-N -1 3 389.280 3.693 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CN2c3ccccc3Sc3ccccc32)[n-]1 ZINC001301977113 1046774568 /nfs/dbraw/zinc/77/45/68/1046774568.db2.gz ZKMFCCCCSXPKAL-UHFFFAOYSA-N -1 3 394.456 3.828 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CN2c3ccccc3Sc3ccccc32)c[n-]1 ZINC001301977113 1046774579 /nfs/dbraw/zinc/77/45/79/1046774579.db2.gz ZKMFCCCCSXPKAL-UHFFFAOYSA-N -1 3 394.456 3.828 20 0 GHADHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC001463126210 1070827080 /nfs/dbraw/zinc/82/70/80/1070827080.db2.gz DAPIWQFFNBVMAO-OAHLLOKOSA-N -1 3 388.514 3.864 20 0 GHADHM CCc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC001463127553 1070830032 /nfs/dbraw/zinc/83/00/32/1070830032.db2.gz VBJAFVIMGWFZAR-UHFFFAOYSA-N -1 3 386.286 3.672 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1cnc(Cl)c(F)c1 ZINC001463128831 1070830823 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GHADHM O=C(N[C@@H](CO)CCc1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001303770094 1047508951 /nfs/dbraw/zinc/50/89/51/1047508951.db2.gz XBAUKTBAICWKGI-JOCHJYFZSA-N -1 3 389.495 3.901 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC001463214383 1070915800 /nfs/dbraw/zinc/91/58/00/1070915800.db2.gz OJEQNUUNJLTOEY-YPMHNXCESA-N -1 3 393.734 3.745 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC001463214380 1070915920 /nfs/dbraw/zinc/91/59/20/1070915920.db2.gz OJEQNUUNJLTOEY-WCQYABFASA-N -1 3 393.734 3.745 20 0 GHADHM C[C@H](NC(=O)CCOc1ccc2ccccc2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131408 1047595150 /nfs/dbraw/zinc/59/51/50/1047595150.db2.gz IDPOSESIXMDGKI-NSHDSACASA-N -1 3 378.354 3.623 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(Cl)nc(C2CC2)c1 ZINC001304567956 1047715645 /nfs/dbraw/zinc/71/56/45/1047715645.db2.gz PHXXVKBDEUWDKV-UHFFFAOYSA-N -1 3 396.834 3.945 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc(Cl)nc(C2CC2)c1 ZINC001304567956 1047715651 /nfs/dbraw/zinc/71/56/51/1047715651.db2.gz PHXXVKBDEUWDKV-UHFFFAOYSA-N -1 3 396.834 3.945 20 0 GHADHM CC1(C)C[C@@H](C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c2ccccc2O1 ZINC001304818796 1047781080 /nfs/dbraw/zinc/78/10/80/1047781080.db2.gz AHIDMHLNZWIIMZ-BFYDXBDKSA-N -1 3 381.476 3.670 20 0 GHADHM COc1ccc(C=C(C)C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1F ZINC001304820382 1047782341 /nfs/dbraw/zinc/78/23/41/1047782341.db2.gz QBQFWXWKGVQQSR-JAHAHPIOSA-N -1 3 385.439 3.576 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)Oc1cccc(Cl)c1 ZINC001463274002 1070954756 /nfs/dbraw/zinc/95/47/56/1070954756.db2.gz SDWBBVOVLBVYDF-NSHDSACASA-N -1 3 393.267 3.663 20 0 GHADHM O=C(Nc1nc2c(cccc2[O-])s1)[C@@H]1CC12CN(CCCC(F)(F)F)C2 ZINC001279889961 1047981590 /nfs/dbraw/zinc/98/15/90/1047981590.db2.gz XQFOQTIVWPFTRG-JTQLQIEISA-N -1 3 385.411 3.605 20 0 GHADHM O=C(Nc1nc2c(cccc2[O-])s1)[C@]12C[C@H]1CCN2CCCC(F)(F)F ZINC001279889055 1047981702 /nfs/dbraw/zinc/98/17/02/1047981702.db2.gz MRFFKCVNASLNMU-HWPZZCPQSA-N -1 3 385.411 3.747 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1ccccc1Cl ZINC001463291711 1070967282 /nfs/dbraw/zinc/96/72/82/1070967282.db2.gz GULGTVMWQITKJF-ZDUSSCGKSA-N -1 3 375.824 3.593 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C3CCCCC3)CC2)ccc1F ZINC001463307099 1070977083 /nfs/dbraw/zinc/97/70/83/1070977083.db2.gz XVCWMUOPSCFEPD-UHFFFAOYSA-N -1 3 396.528 3.745 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C=C(C)c3ccc(OC)cc3)nc21 ZINC001463313701 1070982151 /nfs/dbraw/zinc/98/21/51/1070982151.db2.gz KJNHMAUNUZVZAG-SEYXRHQNSA-N -1 3 379.416 3.790 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001306308985 1048559437 /nfs/dbraw/zinc/55/94/37/1048559437.db2.gz MPCXFWVZLBMUKV-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM C[C@@H](OCCc1ccccc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001306838109 1048921769 /nfs/dbraw/zinc/92/17/69/1048921769.db2.gz DAAZRFFHOUNKBZ-CQSZACIVSA-N -1 3 376.416 3.804 20 0 GHADHM CC(C)(C)CCCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001287883687 1048937913 /nfs/dbraw/zinc/93/79/13/1048937913.db2.gz ZNYLMUOXTNEZBR-UHFFFAOYSA-N -1 3 375.560 3.765 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(c3ccccc3Br)CC2)n1 ZINC001307697077 1049514685 /nfs/dbraw/zinc/51/46/85/1049514685.db2.gz VVOKJBKICZFMFO-UHFFFAOYSA-N -1 3 376.298 3.887 20 0 GHADHM C[C@@](CO)(NCc1cc(=O)oc2cc([O-])ccc12)c1cc(Cl)cc(Cl)c1 ZINC001307766649 1049579170 /nfs/dbraw/zinc/57/91/70/1049579170.db2.gz SFEUYIBYTPPMNM-IBGZPJMESA-N -1 3 394.254 3.803 20 0 GHADHM C[C@@H]1CCN(CCc2ccc(OC(F)(F)F)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001307959791 1049723208 /nfs/dbraw/zinc/72/32/08/1049723208.db2.gz CASNKIRROOPKFS-RISCZKNCSA-N -1 3 398.347 3.517 20 0 GHADHM O=C([N-]CC[C@@H]1CN(Cc2ccc(Cl)cn2)c2ccccc21)C(F)(F)F ZINC001308012586 1049761745 /nfs/dbraw/zinc/76/17/45/1049761745.db2.gz MUGPAWDICOIHOG-GFCCVEGCSA-N -1 3 383.801 3.907 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001290405830 1049830636 /nfs/dbraw/zinc/83/06/36/1049830636.db2.gz YDAFKSOPBYVGGP-LLVKDONJSA-N -1 3 391.353 3.583 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001290405830 1049830651 /nfs/dbraw/zinc/83/06/51/1049830651.db2.gz YDAFKSOPBYVGGP-LLVKDONJSA-N -1 3 391.353 3.583 20 0 GHADHM C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC001290449221 1049842604 /nfs/dbraw/zinc/84/26/04/1049842604.db2.gz GFPLANMVWOURMF-QZTJIDSGSA-N -1 3 396.531 3.601 20 0 GHADHM O=S(=O)([N-]CCCCc1ccccc1)c1cc2nc(Cl)ncc2s1 ZINC001309028377 1050284555 /nfs/dbraw/zinc/28/45/55/1050284555.db2.gz CVVHPHGFHOSKQL-UHFFFAOYSA-N -1 3 381.910 3.646 20 0 GHADHM O=S(=O)([N-]CCc1csc2ccccc12)c1ccc(Cl)c2nonc21 ZINC001309070499 1050321767 /nfs/dbraw/zinc/32/17/67/1050321767.db2.gz JCQHTILZIJHLFR-UHFFFAOYSA-N -1 3 393.877 3.612 20 0 GHADHM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-]Cc1nc(C2CC2)no1 ZINC001309104110 1050356906 /nfs/dbraw/zinc/35/69/06/1050356906.db2.gz MPDAOMMMJVYOMP-UHFFFAOYSA-N -1 3 375.494 3.614 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC001328043406 1050371638 /nfs/dbraw/zinc/37/16/38/1050371638.db2.gz PFIKBMZIVUANEF-YOEHRIQHSA-N -1 3 380.400 3.688 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1Cl)c1cc2nc(Cl)ncc2s1 ZINC001309117782 1050373172 /nfs/dbraw/zinc/37/31/72/1050373172.db2.gz UTAYCTYDNJWWSS-UHFFFAOYSA-N -1 3 388.301 3.519 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NC/C=C\c2ccc(N(C)C)cc2)c1OC ZINC000903998828 1050460745 /nfs/dbraw/zinc/46/07/45/1050460745.db2.gz YMLXUNVBFBRDOX-RURPWVQCSA-N -1 3 384.476 3.589 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC001309201646 1050465293 /nfs/dbraw/zinc/46/52/93/1050465293.db2.gz OUWNBVUAYFTJPC-GXTWGEPZSA-N -1 3 389.370 3.634 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)c(F)cc1Br ZINC001309247804 1050517282 /nfs/dbraw/zinc/51/72/82/1050517282.db2.gz HCPCBAGRZOKNCW-DLBZAZTESA-N -1 3 398.297 3.905 20 0 GHADHM COc1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC001309247427 1050517502 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385.964 3.545 20 0 GHADHM CCOC(=O)C(CC)(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001309739256 1050949142 /nfs/dbraw/zinc/94/91/42/1050949142.db2.gz OPOLHEWIFASKBP-UHFFFAOYSA-N -1 3 382.309 3.641 20 0 GHADHM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001309780493 1050970607 /nfs/dbraw/zinc/97/06/07/1050970607.db2.gz INDTTZSSRMGDLN-CYBMUJFWSA-N -1 3 394.320 3.868 20 0 GHADHM O=S(=O)([N-]C1CC(Cl)(Cl)C1)c1cccnc1Oc1ccc(F)cc1 ZINC001309901553 1051034176 /nfs/dbraw/zinc/03/41/76/1051034176.db2.gz DXSIQOOFFNCTDB-UHFFFAOYSA-N -1 3 391.251 3.628 20 0 GHADHM CC1(C)CC[C@@H](CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)OC1 ZINC001309905327 1051035964 /nfs/dbraw/zinc/03/59/64/1051035964.db2.gz CFGRJOJQKVMFEK-HNNXBMFYSA-N -1 3 380.535 3.684 20 0 GHADHM CC1(C)CC2(CC([N-]S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)C2)CO1 ZINC001309929849 1051052284 /nfs/dbraw/zinc/05/22/84/1051052284.db2.gz SBKVZJOTSSXOEL-UHFFFAOYSA-N -1 3 397.846 3.985 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1csnc1-c1ccccc1 ZINC001309936413 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3.984 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC(C)C)cc(=O)[n-]1 ZINC001343024955 1053504652 /nfs/dbraw/zinc/50/46/52/1053504652.db2.gz FGEOQCLERDTNHB-CYBMUJFWSA-N -1 3 384.459 3.742 20 0 GHADHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccco4)cc3F)ccc2N1 ZINC001343927422 1054123671 /nfs/dbraw/zinc/12/36/71/1054123671.db2.gz OJCNLWRDJNGCRR-UHFFFAOYSA-N -1 3 386.404 3.771 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001318377961 1054599642 /nfs/dbraw/zinc/59/96/42/1054599642.db2.gz AIERNEJGRNYTDX-UHFFFAOYSA-N -1 3 375.476 3.512 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001318377961 1054599653 /nfs/dbraw/zinc/59/96/53/1054599653.db2.gz AIERNEJGRNYTDX-UHFFFAOYSA-N -1 3 375.476 3.512 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(-c4ccncc4)s3)cc12 ZINC001319214896 1055099459 /nfs/dbraw/zinc/09/94/59/1055099459.db2.gz JUKNAGSTHOVQFA-UHFFFAOYSA-N -1 3 384.490 3.924 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(SC(F)(F)F)cc1 ZINC001320533426 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ZINC001326593040 1057519185 /nfs/dbraw/zinc/51/91/85/1057519185.db2.gz LMWPYTXVOQKTQU-UHFFFAOYSA-N -1 3 379.347 3.795 20 0 GHADHM CCc1cccc2c(C3CCN(C(=O)CCc4c(C)nc[n-]c4=O)CC3)c[nH]c21 ZINC001337639763 1058197894 /nfs/dbraw/zinc/19/78/94/1058197894.db2.gz VWIIKGPWCKMWDG-UHFFFAOYSA-N -1 3 392.503 3.873 20 0 GHADHM Cn1ncc2c1CCC[C@H]2Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001337726577 1058237733 /nfs/dbraw/zinc/23/77/33/1058237733.db2.gz LYCMHRAUFXKRJV-LJQANCHMSA-N -1 3 382.489 3.710 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnn(C4CCCC4)c3CC)nc21 ZINC001439997183 1058381407 /nfs/dbraw/zinc/38/14/07/1058381407.db2.gz KYLMSTOPHAJUIW-UHFFFAOYSA-N -1 3 395.463 3.866 20 0 GHADHM Cn1nc(C(=O)Nc2ccc(Br)cc2[O-])cc1-c1ccc(F)cc1 ZINC001441341662 1058753557 /nfs/dbraw/zinc/75/35/57/1058753557.db2.gz JIOFUQOFIBVWDW-UHFFFAOYSA-N -1 3 390.212 3.947 20 0 GHADHM CC(C)C[C@H](NCC(F)(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC001441345214 1058755874 /nfs/dbraw/zinc/75/58/74/1058755874.db2.gz YLYDDIUDHKKPOI-NSHDSACASA-N -1 3 383.208 3.660 20 0 GHADHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001442296338 1058945072 /nfs/dbraw/zinc/94/50/72/1058945072.db2.gz SZQPOAXPRWGVGC-OAHLLOKOSA-N -1 3 398.846 3.992 20 0 GHADHM O=C(NC1(c2cccc(Br)c2)CCC1)c1cc2c(cc1[O-])OCO2 ZINC001442355558 1058951094 /nfs/dbraw/zinc/95/10/94/1058951094.db2.gz PTLGDBSSBPGISG-UHFFFAOYSA-N -1 3 390.233 3.693 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC001442516175 1058970791 /nfs/dbraw/zinc/97/07/91/1058970791.db2.gz AQUWSRYPKJNHIV-IRXDYDNUSA-N -1 3 396.528 3.768 20 0 GHADHM COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)cn1 ZINC001443055788 1059054081 /nfs/dbraw/zinc/05/40/81/1059054081.db2.gz TVCXTPYSKASOCN-UHFFFAOYSA-N -1 3 377.400 3.609 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC001443213297 1059087843 /nfs/dbraw/zinc/08/78/43/1059087843.db2.gz YFRNNDQOHPXQLJ-SNVBAGLBSA-N -1 3 389.249 3.530 20 0 GHADHM Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1ncccc1[O-])N2C(=O)OC(C)(C)C 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375.250 3.850 20 0 GHADHM CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001450984793 1060726063 /nfs/dbraw/zinc/72/60/63/1060726063.db2.gz GDBHBHWYYCLWDO-UHFFFAOYSA-N -1 3 398.503 3.774 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001451141398 1060743291 /nfs/dbraw/zinc/74/32/91/1060743291.db2.gz KJAIUCLPEMYTOS-DNVCBOLYSA-N -1 3 390.480 3.791 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2cc(Cl)nnc2C1 ZINC001452266363 1060919941 /nfs/dbraw/zinc/91/99/41/1060919941.db2.gz DYUTUBLIQJDJFL-UHFFFAOYSA-N -1 3 379.847 3.625 20 0 GHADHM CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)cc2)cc1 ZINC001452729012 1060995139 /nfs/dbraw/zinc/99/51/39/1060995139.db2.gz QVXGYVCZBBQMRC-KRWDZBQOSA-N -1 3 391.427 3.740 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001346103073 1061364198 /nfs/dbraw/zinc/36/41/98/1061364198.db2.gz SQLYKTJNDUYVOQ-AWEZNQCLSA-N -1 3 378.480 3.665 20 0 GHADHM Clc1nnc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2CC2CC2)[n-]1 ZINC001346507929 1061630131 /nfs/dbraw/zinc/63/01/31/1061630131.db2.gz XFERWQXLLMCDAA-LBPRGKRZSA-N -1 3 375.889 3.530 20 0 GHADHM Clc1nc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2CC2CC2)n[n-]1 ZINC001346507929 1061630181 /nfs/dbraw/zinc/63/01/81/1061630181.db2.gz XFERWQXLLMCDAA-LBPRGKRZSA-N -1 3 375.889 3.530 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001454599306 1061873380 /nfs/dbraw/zinc/87/33/80/1061873380.db2.gz HNUZQJOLGPQBBY-UHFFFAOYSA-N -1 3 399.316 3.998 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1ccc(C(C)C)cn1 ZINC001454632675 1061893969 /nfs/dbraw/zinc/89/39/69/1061893969.db2.gz YRUZVHQYQFLVED-UHFFFAOYSA-N -1 3 393.447 3.750 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)c([O-])c1 ZINC001454878691 1061949609 /nfs/dbraw/zinc/94/96/09/1061949609.db2.gz KBCRNHQTTGOIMX-SFHVURJKSA-N -1 3 398.478 3.754 20 0 GHADHM C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cc([O-])cc(Br)c1 ZINC001454963351 1061961972 /nfs/dbraw/zinc/96/19/72/1061961972.db2.gz KCQVOTHBUJXRKA-KRWDZBQOSA-N -1 3 398.684 3.532 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC001545835962 1062034092 /nfs/dbraw/zinc/03/40/92/1062034092.db2.gz WLMSEBZGXQUILO-ZDUSSCGKSA-N -1 3 378.444 3.897 20 0 GHADHM COc1ccc(C(=O)NCc2cc3cc(Br)ccc3o2)c([O-])c1 ZINC001455289391 1062092693 /nfs/dbraw/zinc/09/26/93/1062092693.db2.gz OZMUTOLWUCZHDD-UHFFFAOYSA-N -1 3 376.206 3.840 20 0 GHADHM COc1cccc([O-])c1C(=O)N(C)CCCCCCNC(=O)OC(C)(C)C ZINC001455502228 1062189932 /nfs/dbraw/zinc/18/99/32/1062189932.db2.gz IPICPSPMRRELEV-UHFFFAOYSA-N -1 3 380.485 3.558 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C[C@H](C)c3ccc(C(C)C)cc3)C2)n1 ZINC001347307140 1062286985 /nfs/dbraw/zinc/28/69/85/1062286985.db2.gz XTIOKVOOMPQKOM-HNAYVOBHSA-N -1 3 382.508 3.503 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCCCOC)Cc2ccccc2)c1 ZINC001347394613 1062349696 /nfs/dbraw/zinc/34/96/96/1062349696.db2.gz JIKYMOKFXQUFKF-UHFFFAOYSA-N -1 3 382.460 3.586 20 0 GHADHM Cc1cnn(CC2CC2)c1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001347770526 1062646176 /nfs/dbraw/zinc/64/61/76/1062646176.db2.gz HQMRCVGGZZNCAD-UHFFFAOYSA-N -1 3 378.432 3.539 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001456385837 1062652647 /nfs/dbraw/zinc/65/26/47/1062652647.db2.gz ZHUPHFQUIXEHPA-ZETCQYMHSA-N -1 3 381.185 3.940 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(SC(F)(F)F)o1 ZINC001456948586 1062927526 /nfs/dbraw/zinc/92/75/26/1062927526.db2.gz NFMMJCZWZPOOEJ-MGCOHNPYSA-N -1 3 387.383 3.843 20 0 GHADHM CNc1cc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc(Cl)n1 ZINC001457165771 1062995009 /nfs/dbraw/zinc/99/50/09/1062995009.db2.gz ZECFNXYPTAGMSR-UHFFFAOYSA-N -1 3 388.884 3.748 20 0 GHADHM Cc1nc(-c2nnc(N(C)CCC(C)(C)C)n2Cc2cccs2)cc(=O)[n-]1 ZINC001348370836 1063027458 /nfs/dbraw/zinc/02/74/58/1063027458.db2.gz GRLBPULMONRRHJ-UHFFFAOYSA-N -1 3 386.525 3.731 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2)ccc1F ZINC001348540094 1063191718 /nfs/dbraw/zinc/19/17/18/1063191718.db2.gz NPMUGUSRJUFERG-UHFFFAOYSA-N -1 3 399.871 3.913 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N(Cc1ccco1)Cc1ccco1 ZINC001457520723 1063222937 /nfs/dbraw/zinc/22/29/37/1063222937.db2.gz QCLRFKLTXAMGIO-UHFFFAOYSA-N -1 3 384.338 3.835 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc(F)cc(Br)c1F ZINC001457572002 1063255570 /nfs/dbraw/zinc/25/55/70/1063255570.db2.gz RXYSTLGOVOMVBP-UHFFFAOYSA-N -1 3 397.154 3.904 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC=CCCC1)C(F)(F)F ZINC001436917092 1063705201 /nfs/dbraw/zinc/70/52/01/1063705201.db2.gz ZJPGKIUMFNWHCE-HOCLYGCPSA-N -1 3 380.410 3.759 20 0 GHADHM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001349766483 1063906602 /nfs/dbraw/zinc/90/66/02/1063906602.db2.gz LUPNOKVVQZCSPW-LBPRGKRZSA-N -1 3 387.505 3.594 20 0 GHADHM CCn1c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nc2ccsc2c1=O ZINC001458866289 1063951705 /nfs/dbraw/zinc/95/17/05/1063951705.db2.gz XSOQKQLEGMQWLA-UHFFFAOYSA-N -1 3 396.497 3.933 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccccc2C(C)C)ccc1F ZINC001350026348 1063967742 /nfs/dbraw/zinc/96/77/42/1063967742.db2.gz XBLXXDFRRQZVTE-UHFFFAOYSA-N -1 3 379.453 3.855 20 0 GHADHM CCC[C@@H](C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC001438033732 1063970544 /nfs/dbraw/zinc/97/05/44/1063970544.db2.gz UCUDOSDCXWHKMI-CQSZACIVSA-N -1 3 383.901 3.907 20 0 GHADHM CCC[C@@H](C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC001438033732 1063970546 /nfs/dbraw/zinc/97/05/46/1063970546.db2.gz UCUDOSDCXWHKMI-CQSZACIVSA-N -1 3 383.901 3.907 20 0 GHADHM CCCCCC[C@@H](C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001438525777 1064063895 /nfs/dbraw/zinc/06/38/95/1064063895.db2.gz CZBAKUJRNKEWIV-GFCCVEGCSA-N -1 3 375.560 3.765 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)s1 ZINC001438528803 1064064458 /nfs/dbraw/zinc/06/44/58/1064064458.db2.gz GSVJODXCRFABRC-MELADBBJSA-N -1 3 399.582 3.765 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](C4CCCCC4)C3)n2CC2CC2)cc(=O)[n-]1 ZINC001350538851 1064118368 /nfs/dbraw/zinc/11/83/68/1064118368.db2.gz XEOUNJRWHHFFBM-QGZVFWFLSA-N -1 3 382.512 3.566 20 0 GHADHM CCc1cc2c(CN3CCO[C@@H](CCc4ccccc4)C3)cc(=O)oc2cc1[O-] ZINC001459917357 1064271265 /nfs/dbraw/zinc/27/12/65/1064271265.db2.gz DDGRWVIXTINRJH-FQEVSTJZSA-N -1 3 393.483 3.895 20 0 GHADHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001463378771 1064298273 /nfs/dbraw/zinc/29/82/73/1064298273.db2.gz XAEUNFBLBXCSAI-INIZCTEOSA-N -1 3 390.839 3.539 20 0 GHADHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001463392081 1064308437 /nfs/dbraw/zinc/30/84/37/1064308437.db2.gz PKXRVLFOZKFVDH-NSHDSACASA-N -1 3 395.278 3.938 20 0 GHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC001463458673 1064370065 /nfs/dbraw/zinc/37/00/65/1064370065.db2.gz JGIQPSMSDYQXIH-HUUCEWRRSA-N -1 3 380.535 3.682 20 0 GHADHM C[C@]1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO[C@@H]1C1CC1 ZINC001463505987 1064415527 /nfs/dbraw/zinc/41/55/27/1064415527.db2.gz OYVCFKZGSONXFU-WBVHZDCISA-N -1 3 398.937 3.699 20 0 GHADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2F)CCCC1)c1c[nH]nc1Cl ZINC001463521951 1064431822 /nfs/dbraw/zinc/43/18/22/1064431822.db2.gz RNNYIMSZCUZTMZ-UHFFFAOYSA-N -1 3 392.283 3.646 20 0 GHADHM CCCc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC001463593590 1064487428 /nfs/dbraw/zinc/48/74/28/1064487428.db2.gz HLLJXOWGQVICJC-UHFFFAOYSA-N -1 3 376.460 3.664 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c(F)c1 ZINC001463638392 1064519239 /nfs/dbraw/zinc/51/92/39/1064519239.db2.gz CVVNLGMIHFSSKW-LLVKDONJSA-N -1 3 385.844 3.695 20 0 GHADHM O=C(NCCSCc1ccccc1F)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001463726060 1064571915 /nfs/dbraw/zinc/57/19/15/1064571915.db2.gz LCKQUJPPBZIVDF-UHFFFAOYSA-N -1 3 392.402 3.609 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1c[nH]c2cc(Br)ccc21 ZINC001463820311 1064647604 /nfs/dbraw/zinc/64/76/04/1064647604.db2.gz FNCCQHPPWDIJPQ-GFCCVEGCSA-N -1 3 397.216 3.550 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001463897432 1064703218 /nfs/dbraw/zinc/70/32/18/1064703218.db2.gz BCPIMTNDYLYXMG-WFASDCNBSA-N -1 3 399.921 3.803 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC001463934859 1064727832 /nfs/dbraw/zinc/72/78/32/1064727832.db2.gz LEUZAEVPZWQMSS-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)s1 ZINC001463954332 1064737846 /nfs/dbraw/zinc/73/78/46/1064737846.db2.gz HBQDNSOMDACBLF-NSHDSACASA-N -1 3 395.937 3.676 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)COCC2CC2)c(Br)c1 ZINC001464022898 1064774719 /nfs/dbraw/zinc/77/47/19/1064774719.db2.gz HVPKNGXQOBTBMV-JTQLQIEISA-N -1 3 396.734 3.504 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001464041955 1064784633 /nfs/dbraw/zinc/78/46/33/1064784633.db2.gz KGWHVANBJCXCPO-UHFFFAOYSA-N -1 3 394.393 3.557 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2cccc(F)c2Cl)sc1Cl ZINC001464193392 1064901164 /nfs/dbraw/zinc/90/11/64/1064901164.db2.gz JNPUAFMOORLNTC-UHFFFAOYSA-N -1 3 382.265 3.664 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1csc(C)c1C ZINC001464227011 1064917153 /nfs/dbraw/zinc/91/71/53/1064917153.db2.gz JHSDDVZIJRFNGW-UHFFFAOYSA-N -1 3 395.527 3.845 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001464278868 1064939533 /nfs/dbraw/zinc/93/95/33/1064939533.db2.gz YNFCATNEBQOLJB-KDOFPFPSSA-N -1 3 396.915 3.668 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC1CC=CC1 ZINC001464473539 1065032063 /nfs/dbraw/zinc/03/20/63/1065032063.db2.gz HXJKHXMZDHMFSG-UHFFFAOYSA-N -1 3 394.718 3.746 20 0 GHADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001464527188 1065064760 /nfs/dbraw/zinc/06/47/60/1065064760.db2.gz CBRPCINJNNLEJK-WCBMZHEXSA-N -1 3 386.233 3.935 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464627447 1065120363 /nfs/dbraw/zinc/12/03/63/1065120363.db2.gz WDVOHXBFOZRWPW-RIYZIHGNSA-N -1 3 395.291 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464627447 1065120365 /nfs/dbraw/zinc/12/03/65/1065120365.db2.gz WDVOHXBFOZRWPW-RIYZIHGNSA-N -1 3 395.291 3.974 20 0 GHADHM CCc1ccc(C(=O)NCc2nc3ccc(Br)cc3o2)c([O-])c1 ZINC001300063259 1065161982 /nfs/dbraw/zinc/16/19/82/1065161982.db2.gz MDJFSCFDUQAJPP-UHFFFAOYSA-N -1 3 375.222 3.788 20 0 GHADHM CC(C)[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nc(C2CC2)no1 ZINC001464785839 1065210464 /nfs/dbraw/zinc/21/04/64/1065210464.db2.gz FIJZDJYCYZCCKN-AWEZNQCLSA-N -1 3 386.839 3.569 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC001465374827 1065573952 /nfs/dbraw/zinc/57/39/52/1065573952.db2.gz JSPGDADSBOXULC-HNNXBMFYSA-N -1 3 390.892 3.693 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc(SC)ccc3[O-])ccc2NC1=O ZINC001465527802 1065689395 /nfs/dbraw/zinc/68/93/95/1065689395.db2.gz CRNKGTYAGWLUKK-DIFFPNOSSA-N -1 3 386.473 3.715 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000847644698 1065833154 /nfs/dbraw/zinc/83/31/54/1065833154.db2.gz PJIWGUOHHMSFRP-OAHLLOKOSA-N -1 3 385.357 3.694 20 0 GHADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001466055929 1065968284 /nfs/dbraw/zinc/96/82/84/1065968284.db2.gz GKOQEIAUDCYXBG-KRWDZBQOSA-N -1 3 398.503 3.623 20 0 GHADHM COc1cc(/C=C\C(=O)Nc2cccc([O-])c2F)cc(Br)c1O ZINC001466117531 1065987954 /nfs/dbraw/zinc/98/79/54/1065987954.db2.gz OJLZZHCLCXYEGW-WAYWQWQTSA-N -1 3 382.185 3.660 20 0 GHADHM CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001466199370 1066031481 /nfs/dbraw/zinc/03/14/81/1066031481.db2.gz ZVWKJPRIMQJBRX-UHFFFAOYSA-N -1 3 384.476 3.855 20 0 GHADHM C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001466257957 1066058926 /nfs/dbraw/zinc/05/89/26/1066058926.db2.gz MHJZZEVATXHFNR-SNVBAGLBSA-N -1 3 389.864 3.955 20 0 GHADHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466351295 1066107674 /nfs/dbraw/zinc/10/76/74/1066107674.db2.gz DLRGJZCMSFEGME-HTAPYJJXSA-N -1 3 375.468 3.877 20 0 GHADHM Cc1c(I)cccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC001466775115 1066307675 /nfs/dbraw/zinc/30/76/75/1066307675.db2.gz TVYPQIAYZUQHJD-UHFFFAOYSA-N -1 3 395.122 3.594 20 0 GHADHM Cc1c(I)cccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC001466775115 1066307688 /nfs/dbraw/zinc/30/76/88/1066307688.db2.gz TVYPQIAYZUQHJD-UHFFFAOYSA-N -1 3 395.122 3.594 20 0 GHADHM O=C(NC[C@H](O)CCc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001466825714 1066338980 /nfs/dbraw/zinc/33/89/80/1066338980.db2.gz UGIVGZTURWPEHA-GOSISDBHSA-N -1 3 377.440 3.908 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)ccc1F ZINC001358230401 1067447663 /nfs/dbraw/zinc/44/76/63/1067447663.db2.gz ATTNXDHEVHSSDY-RDJZCZTQSA-N -1 3 398.544 3.847 20 0 GHADHM COc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC001468165764 1067616814 /nfs/dbraw/zinc/61/68/14/1067616814.db2.gz VNGIHTJWJJCZGH-AWEZNQCLSA-N -1 3 395.496 3.676 20 0 GHADHM CC(C)CC1(C)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC001468679086 1067820884 /nfs/dbraw/zinc/82/08/84/1067820884.db2.gz RMMKOXKGIPZMAE-UHFFFAOYSA-N -1 3 386.945 4.000 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001468976286 1067942663 /nfs/dbraw/zinc/94/26/63/1067942663.db2.gz FZSXLHRJJZUILE-HNNXBMFYSA-N -1 3 395.475 3.510 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C1CC1 ZINC001469072499 1067969574 /nfs/dbraw/zinc/96/95/74/1067969574.db2.gz FODPOIGOUDFBFT-JOCHJYFZSA-N -1 3 382.410 3.948 20 0 GHADHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC001469714509 1068333642 /nfs/dbraw/zinc/33/36/42/1068333642.db2.gz JFYRIDPZZPIOOT-QMMMGPOBSA-N -1 3 376.190 3.530 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)n1 ZINC001469726099 1068341764 /nfs/dbraw/zinc/34/17/64/1068341764.db2.gz VKPCAWNVRCERLL-UHFFFAOYSA-N -1 3 398.466 3.873 20 0 GHADHM COc1cc(C(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cc(OC)c1[O-] ZINC001469727432 1068342795 /nfs/dbraw/zinc/34/27/95/1068342795.db2.gz YOPAOMUYOMEHFS-KZNAEPCWSA-N -1 3 383.444 3.544 20 0 GHADHM Cn1cc(Cl)c(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)n1 ZINC001360503513 1068534358 /nfs/dbraw/zinc/53/43/58/1068534358.db2.gz LJQVGNFSSWKHNZ-UHFFFAOYSA-N -1 3 398.673 3.607 20 0 GHADHM O=C([N-]Cc1cccc(-n2cncn2)c1)C(F)(F)c1cccc(Cl)c1Cl ZINC001360608379 1068579285 /nfs/dbraw/zinc/57/92/85/1068579285.db2.gz UMJBBXUBXYKPNR-UHFFFAOYSA-N -1 3 397.212 3.982 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C(F)(F)F)c(F)c2)c([O-])c1 ZINC001470320810 1068680822 /nfs/dbraw/zinc/68/08/22/1068680822.db2.gz YKXXQAGOMNMRHA-UHFFFAOYSA-N -1 3 384.329 3.617 20 0 GHADHM CC[C@@H]1CCC[C@H]1NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001478219508 1078770848 /nfs/dbraw/zinc/77/08/48/1078770848.db2.gz ASIJVQYRIBCDQF-IJEWVQPXSA-N -1 3 397.441 3.947 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001478221420 1078771542 /nfs/dbraw/zinc/77/15/42/1078771542.db2.gz REPGWIUCHTZGOL-YHWZYXNKSA-N -1 3 385.327 3.628 20 0 GHADHM O=c1cc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)c2cc(Cl)c([O-])cc2o1 ZINC001460603567 1069020798 /nfs/dbraw/zinc/02/07/98/1069020798.db2.gz DECYKFXLFRNSJA-UTKZUKDTSA-N -1 3 385.847 3.850 20 0 GHADHM [O-]c1ccc(CN2CCN(C[C@@H]3CC4(CO3)CCCCC4)CC2)cc1Cl ZINC001460644899 1069053392 /nfs/dbraw/zinc/05/33/92/1069053392.db2.gz MAVDDZAZGFOOMS-SFHVURJKSA-N -1 3 378.944 3.903 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001460783697 1069176050 /nfs/dbraw/zinc/17/60/50/1069176050.db2.gz HDQHURZQIIGLOZ-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001460783697 1069176058 /nfs/dbraw/zinc/17/60/58/1069176058.db2.gz HDQHURZQIIGLOZ-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001470496028 1072591424 /nfs/dbraw/zinc/59/14/24/1072591424.db2.gz BKSGTNZPKIPUHQ-ZUOKHONESA-N -1 3 392.521 3.634 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(C)c1 ZINC001470673279 1072681594 /nfs/dbraw/zinc/68/15/94/1072681594.db2.gz CLANIQDHCRJVBL-UHFFFAOYSA-N -1 3 392.484 3.810 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC(Nc3ccc(F)cc3)C2)s1 ZINC001470907687 1072805545 /nfs/dbraw/zinc/80/55/45/1072805545.db2.gz FVFDROLLLZIMGY-UHFFFAOYSA-N -1 3 392.456 3.566 20 0 GHADHM CC(C)Oc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1Br ZINC001471047493 1072902945 /nfs/dbraw/zinc/90/29/45/1072902945.db2.gz QWLRPBHYEDFOKC-UHFFFAOYSA-N -1 3 394.221 3.923 20 0 GHADHM O=C(N[C@H]1COc2cccc(Br)c2C1)c1cc([O-])ccc1Cl ZINC001471444213 1073077711 /nfs/dbraw/zinc/07/77/11/1073077711.db2.gz OAEIZRYRHUYXJU-SECBINFHSA-N -1 3 382.641 3.542 20 0 GHADHM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C2 ZINC001471613997 1073158749 /nfs/dbraw/zinc/15/87/49/1073158749.db2.gz RWLZXKLQSXDSDF-NYHFZMIOSA-N -1 3 381.428 3.600 20 0 GHADHM CC(C)c1cccc(-c2ccc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)o2)c1 ZINC001471665387 1073173282 /nfs/dbraw/zinc/17/32/82/1073173282.db2.gz VIPYHYNNEGVTQV-UHFFFAOYSA-N -1 3 379.464 3.678 20 0 GHADHM CC(C)c1cccc(-c2ccc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)o2)c1 ZINC001471665387 1073173284 /nfs/dbraw/zinc/17/32/84/1073173284.db2.gz VIPYHYNNEGVTQV-UHFFFAOYSA-N -1 3 379.464 3.678 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471677989 1073175091 /nfs/dbraw/zinc/17/50/91/1073175091.db2.gz UYEXOJPWYLDKMQ-VIFPVBQESA-N -1 3 394.258 3.676 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2Cl)cc1[O-] ZINC001471906960 1073255435 /nfs/dbraw/zinc/25/54/35/1073255435.db2.gz UAZPBHDVWIENCP-UHFFFAOYSA-N -1 3 382.641 3.941 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N(Cc1ccoc1)C1CC1 ZINC001472081586 1073328692 /nfs/dbraw/zinc/32/86/92/1073328692.db2.gz FVVVXALAWVLHOF-UHFFFAOYSA-N -1 3 392.333 3.825 20 0 GHADHM C[C@@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110697 1073337317 /nfs/dbraw/zinc/33/73/17/1073337317.db2.gz JBLHWCIYCSEUFN-VROIDLATSA-N -1 3 384.305 3.794 20 0 GHADHM Cc1nc(-c2ccc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)s2)cs1 ZINC001472112285 1073338129 /nfs/dbraw/zinc/33/81/29/1073338129.db2.gz ZZUCLUYLCQOHQN-LURJTMIESA-N -1 3 387.412 3.808 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)s1 ZINC001472240803 1073380173 /nfs/dbraw/zinc/38/01/73/1073380173.db2.gz IPVXNLYYLQXQFL-UHFFFAOYSA-N -1 3 397.456 3.738 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)s1 ZINC001472240803 1073380179 /nfs/dbraw/zinc/38/01/79/1073380179.db2.gz IPVXNLYYLQXQFL-UHFFFAOYSA-N -1 3 397.456 3.738 20 0 GHADHM O=C(C[C@H]1OCc2cc(Cl)ccc21)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288411 1073401283 /nfs/dbraw/zinc/40/12/83/1073401283.db2.gz DTUNSFDWGAQUIL-SRCQZFHVSA-N -1 3 387.867 3.640 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001472307639 1073414218 /nfs/dbraw/zinc/41/42/18/1073414218.db2.gz PTZXGFJSCNSQMU-ZIBCJSCZSA-N -1 3 378.472 3.558 20 0 GHADHM CN1C(=O)Cc2cc(CNC(=O)c3cc(Oc4ccccc4)ccc3[O-])ccc21 ZINC001472355364 1073441695 /nfs/dbraw/zinc/44/16/95/1073441695.db2.gz HRUCOMYRIOLYPF-UHFFFAOYSA-N -1 3 388.423 3.633 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2nc(Cc3ccccc3)no2)c([O-])c1 ZINC001472631694 1073586763 /nfs/dbraw/zinc/58/67/63/1073586763.db2.gz DTGMOABUROWEKG-UHFFFAOYSA-N -1 3 395.459 3.517 20 0 GHADHM CCn1cnc2c1nc(Cl)nc2NCc1ccc([O-])c(Br)c1 ZINC001472730974 1073640811 /nfs/dbraw/zinc/64/08/11/1073640811.db2.gz MWRHLTSLBGAMEH-UHFFFAOYSA-N -1 3 382.649 3.580 20 0 GHADHM O=c1[n-]nc(SCc2cnc(-c3ccccc3)nc2)n1CCc1ccccc1 ZINC001472923426 1073727618 /nfs/dbraw/zinc/72/76/18/1073727618.db2.gz DEEBOCYZDLCAGV-UHFFFAOYSA-N -1 3 389.484 3.976 20 0 GHADHM C[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(NC(=O)C2CC2)cc1 ZINC001473319387 1073918947 /nfs/dbraw/zinc/91/89/47/1073918947.db2.gz SMSGPNQASAWMIJ-CYBMUJFWSA-N -1 3 378.432 3.642 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H]1C(F)(F)F ZINC001474700363 1074524085 /nfs/dbraw/zinc/52/40/85/1074524085.db2.gz VMRFGZPQWCZGSZ-STQMWFEESA-N -1 3 392.393 3.666 20 0 GHADHM [O-]c1ccc(F)c(CNCc2ccn(-c3ccc(Br)cc3)n2)c1F ZINC001474705817 1074526599 /nfs/dbraw/zinc/52/65/99/1074526599.db2.gz SKANKSJESCFJJU-UHFFFAOYSA-N -1 3 394.219 3.908 20 0 GHADHM Cc1cccc(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001474813904 1074575370 /nfs/dbraw/zinc/57/53/70/1074575370.db2.gz KUCZQXIPDRYGFO-UHFFFAOYSA-N -1 3 380.263 3.982 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCC(C)C)c1 ZINC001474927481 1074636059 /nfs/dbraw/zinc/63/60/59/1074636059.db2.gz KDVBMSAUBNFOLR-RHSMWYFYSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(C)C)sc1Cl ZINC001474956340 1074651846 /nfs/dbraw/zinc/65/18/46/1074651846.db2.gz IGRYJEWFIMAKQJ-NSHDSACASA-N -1 3 396.962 3.538 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(F)cc1Br ZINC001474981448 1074666012 /nfs/dbraw/zinc/66/60/12/1074666012.db2.gz OUDBMPFLTYAJSU-CJNGLKHVSA-N -1 3 398.297 3.806 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1c(F)cccc1OC(F)(F)F ZINC001475031492 1074696678 /nfs/dbraw/zinc/69/66/78/1074696678.db2.gz FIBNAXISEHXPBK-YPMHNXCESA-N -1 3 381.391 3.971 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)N(C)C)c(F)c1F ZINC001475040333 1074704377 /nfs/dbraw/zinc/70/43/77/1074704377.db2.gz ISDAJNYBESTAJP-CQSZACIVSA-N -1 3 388.867 3.508 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001475083095 1074729785 /nfs/dbraw/zinc/72/97/85/1074729785.db2.gz IOHFGDXFXKYMLJ-AWEZNQCLSA-N -1 3 386.498 3.750 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C)cc2SC)c1 ZINC001475093336 1074734168 /nfs/dbraw/zinc/73/41/68/1074734168.db2.gz LJONSXLCPYAOJI-UHFFFAOYSA-N -1 3 397.493 3.511 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1csnc1-c1ccccc1 ZINC001475099586 1074736572 /nfs/dbraw/zinc/73/65/72/1074736572.db2.gz FKYBMUHPXCKKGD-HNNXBMFYSA-N -1 3 378.519 3.580 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c(-c2ccccc2)s1 ZINC001475192082 1074778217 /nfs/dbraw/zinc/77/82/17/1074778217.db2.gz FISMZTUPLVNFJR-LJQANCHMSA-N -1 3 394.562 3.728 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)c1 ZINC001475225450 1074794520 /nfs/dbraw/zinc/79/45/20/1074794520.db2.gz QSFXCJVRUMFVSV-UHFFFAOYSA-N -1 3 391.873 3.541 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cnc(Cl)c(F)c1 ZINC001475234502 1074798410 /nfs/dbraw/zinc/79/84/10/1074798410.db2.gz MFEZSBAQRGFEMM-UMSPYCQHSA-N -1 3 375.252 3.752 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c(-c2ccccc2)s1 ZINC001475244727 1074802938 /nfs/dbraw/zinc/80/29/38/1074802938.db2.gz UUGXTKBJADTDSN-UHFFFAOYSA-N -1 3 399.541 3.871 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001475322038 1074833018 /nfs/dbraw/zinc/83/30/18/1074833018.db2.gz XNAXMJWBRSZACV-ZJUUUORDSA-N -1 3 397.324 3.573 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001475391645 1074858785 /nfs/dbraw/zinc/85/87/85/1074858785.db2.gz NEIPTKUBYGKNGD-CABCVRRESA-N -1 3 385.501 3.806 20 0 GHADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1cccc(OC(F)(F)F)c1F ZINC001475476121 1074888536 /nfs/dbraw/zinc/88/85/36/1074888536.db2.gz ZWUVCOHLNZIOAO-UHFFFAOYSA-N -1 3 389.326 3.949 20 0 GHADHM CC1(C)C[C@]1(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC001475522253 1074904096 /nfs/dbraw/zinc/90/40/96/1074904096.db2.gz NKALVGNVUIFOPI-KRWDZBQOSA-N -1 3 384.423 3.747 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCC2)s1 ZINC001475594172 1074922760 /nfs/dbraw/zinc/92/27/60/1074922760.db2.gz RDMNOCLLUSQWMS-UHFFFAOYSA-N -1 3 399.921 3.588 20 0 GHADHM O=S(=O)([N-][C@H](Cc1cccnc1)C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC001475609436 1074926322 /nfs/dbraw/zinc/92/63/22/1074926322.db2.gz DFUJJGKZBYHPQE-QGZVFWFLSA-N -1 3 384.423 3.579 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC001475617585 1074928780 /nfs/dbraw/zinc/92/87/80/1074928780.db2.gz WVKYOCKTKNFEDR-GXFFZTMASA-N -1 3 385.835 3.842 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)CC1CCCCC1 ZINC001475622089 1074929067 /nfs/dbraw/zinc/92/90/67/1074929067.db2.gz BRHDPCXMNGUKBY-UHFFFAOYSA-N -1 3 381.391 3.662 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(C)cc(CO)cc2C)c1Cl ZINC001475699754 1075002032 /nfs/dbraw/zinc/00/20/32/1075002032.db2.gz DIEYTNNKGCLUIL-UHFFFAOYSA-N -1 3 388.316 3.889 20 0 GHADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC001475770443 1075018483 /nfs/dbraw/zinc/01/84/83/1075018483.db2.gz VANRKUOYQJDRTP-UHFFFAOYSA-N -1 3 378.494 3.772 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1c(Cl)cccc1Cl ZINC000057020896 222027829 /nfs/dbraw/zinc/02/78/29/222027829.db2.gz YTSYTFZUZSEDFN-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM Cc1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccc4Cl)n3)cc2)c1 ZINC000071958248 222200721 /nfs/dbraw/zinc/20/07/21/222200721.db2.gz CBYNGFPLYMXREI-UHFFFAOYSA-N -1 3 378.823 3.872 20 0 GHADHM CC[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736382622 598823548 /nfs/dbraw/zinc/82/35/48/598823548.db2.gz MWOCOJGUNHVAAA-PIGZYNQJSA-N -1 3 388.374 3.607 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736685505 598835788 /nfs/dbraw/zinc/83/57/88/598835788.db2.gz MHRMULKNSRMIDO-GOSISDBHSA-N -1 3 379.464 3.709 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685505 598835790 /nfs/dbraw/zinc/83/57/90/598835790.db2.gz MHRMULKNSRMIDO-GOSISDBHSA-N -1 3 379.464 3.709 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000735830098 598839327 /nfs/dbraw/zinc/83/93/27/598839327.db2.gz CXRHRADHVFJKJS-TXPKVOOTSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000735830098 598839329 /nfs/dbraw/zinc/83/93/29/598839329.db2.gz CXRHRADHVFJKJS-TXPKVOOTSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000735830097 598839709 /nfs/dbraw/zinc/83/97/09/598839709.db2.gz CXRHRADHVFJKJS-JTDSTZFVSA-N -1 3 384.528 3.859 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000735830097 598839710 /nfs/dbraw/zinc/83/97/10/598839710.db2.gz CXRHRADHVFJKJS-JTDSTZFVSA-N -1 3 384.528 3.859 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCc4c(Cl)cccc4C3)c2c1 ZINC000737643228 598854828 /nfs/dbraw/zinc/85/48/28/598854828.db2.gz DENUNCRWHLWBGS-UHFFFAOYSA-N -1 3 398.804 3.909 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCc4c(Cl)cccc4C3)c2c1 ZINC000737643228 598854830 /nfs/dbraw/zinc/85/48/30/598854830.db2.gz DENUNCRWHLWBGS-UHFFFAOYSA-N -1 3 398.804 3.909 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1csc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897510 598884621 /nfs/dbraw/zinc/88/46/21/598884621.db2.gz QXQKNOHLUCAGTO-XIKOKIGWSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1csc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897510 598884623 /nfs/dbraw/zinc/88/46/23/598884623.db2.gz QXQKNOHLUCAGTO-XIKOKIGWSA-N -1 3 393.472 3.646 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(Cl)sc1Cl ZINC000736039334 598887789 /nfs/dbraw/zinc/88/77/89/598887789.db2.gz ISEVPTWARMAEBZ-MRVPVSSYSA-N -1 3 399.259 3.859 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(Cl)sc1Cl ZINC000736039334 598887790 /nfs/dbraw/zinc/88/77/90/598887790.db2.gz ISEVPTWARMAEBZ-MRVPVSSYSA-N -1 3 399.259 3.859 20 0 GHADHM C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115918 598889748 /nfs/dbraw/zinc/88/97/48/598889748.db2.gz BPERPPXWKPRVCJ-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115918 598889749 /nfs/dbraw/zinc/88/97/49/598889749.db2.gz BPERPPXWKPRVCJ-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM CC(C)(C)c1noc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000735654938 598901475 /nfs/dbraw/zinc/90/14/75/598901475.db2.gz LMHKPHDXJMWNHX-UHFFFAOYSA-N -1 3 393.476 3.902 20 0 GHADHM CC(C)(C)c1noc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000735654938 598901477 /nfs/dbraw/zinc/90/14/77/598901477.db2.gz LMHKPHDXJMWNHX-UHFFFAOYSA-N -1 3 393.476 3.902 20 0 GHADHM CCn1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C(C)(C)C)C3)cn1 ZINC000736717387 598903346 /nfs/dbraw/zinc/90/33/46/598903346.db2.gz AAQPNPBWBTWJOQ-GFCCVEGCSA-N -1 3 399.524 3.548 20 0 GHADHM CCn1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C(C)(C)C)C3)cn1 ZINC000736717387 598903348 /nfs/dbraw/zinc/90/33/48/598903348.db2.gz AAQPNPBWBTWJOQ-GFCCVEGCSA-N -1 3 399.524 3.548 20 0 GHADHM FC(F)(F)COCCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737628596 598911772 /nfs/dbraw/zinc/91/17/72/598911772.db2.gz YCEFEAOKIZLMEC-UHFFFAOYSA-N -1 3 378.354 3.882 20 0 GHADHM FC(F)(F)COCCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737628596 598911773 /nfs/dbraw/zinc/91/17/73/598911773.db2.gz YCEFEAOKIZLMEC-UHFFFAOYSA-N -1 3 378.354 3.882 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737426953 598926552 /nfs/dbraw/zinc/92/65/52/598926552.db2.gz OIISDRPXXCBPGA-INIZCTEOSA-N -1 3 378.505 3.579 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737426953 598926553 /nfs/dbraw/zinc/92/65/53/598926553.db2.gz OIISDRPXXCBPGA-INIZCTEOSA-N -1 3 378.505 3.579 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)[C@H](C)C(C)C ZINC000736508459 598927832 /nfs/dbraw/zinc/92/78/32/598927832.db2.gz MDYNQXNVJIODRY-MRXNPFEDSA-N -1 3 393.491 3.952 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC000736508459 598927833 /nfs/dbraw/zinc/92/78/33/598927833.db2.gz MDYNQXNVJIODRY-MRXNPFEDSA-N -1 3 393.491 3.952 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736203280 598944513 /nfs/dbraw/zinc/94/45/13/598944513.db2.gz MDSROHHFZSXMHF-MRXNPFEDSA-N -1 3 391.475 3.635 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735701108 598987514 /nfs/dbraw/zinc/98/75/14/598987514.db2.gz JYDSSHMZEJSMMD-OAHLLOKOSA-N -1 3 379.464 3.562 20 0 GHADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735701108 598987516 /nfs/dbraw/zinc/98/75/16/598987516.db2.gz JYDSSHMZEJSMMD-OAHLLOKOSA-N -1 3 379.464 3.562 20 0 GHADHM CCCC(C)(C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736418031 599000137 /nfs/dbraw/zinc/00/01/37/599000137.db2.gz XVXQPTVQLJVBOJ-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM CCCC(C)(C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736418031 599000138 /nfs/dbraw/zinc/00/01/38/599000138.db2.gz XVXQPTVQLJVBOJ-UHFFFAOYSA-N -1 3 379.464 3.754 20 0 GHADHM Fc1ccc(CN(CC2CC2)C(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737647496 599015125 /nfs/dbraw/zinc/01/51/25/599015125.db2.gz FMYXQUFZMNZZOP-UHFFFAOYSA-N -1 3 382.468 3.615 20 0 GHADHM Fc1ccc(CN(CC2CC2)C(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737647496 599015127 /nfs/dbraw/zinc/01/51/27/599015127.db2.gz FMYXQUFZMNZZOP-UHFFFAOYSA-N -1 3 382.468 3.615 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736227536 599021902 /nfs/dbraw/zinc/02/19/02/599021902.db2.gz LHHBMRDIOQEXBX-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736227536 599021904 /nfs/dbraw/zinc/02/19/04/599021904.db2.gz LHHBMRDIOQEXBX-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737077520 599038969 /nfs/dbraw/zinc/03/89/69/599038969.db2.gz VNPODUFJTBZFSV-AWEZNQCLSA-N -1 3 390.369 3.631 20 0 GHADHM COc1ccc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737077520 599038971 /nfs/dbraw/zinc/03/89/71/599038971.db2.gz VNPODUFJTBZFSV-AWEZNQCLSA-N -1 3 390.369 3.631 20 0 GHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000820769500 599039860 /nfs/dbraw/zinc/03/98/60/599039860.db2.gz USHPNKUNQJANOM-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000820769500 599039862 /nfs/dbraw/zinc/03/98/62/599039862.db2.gz USHPNKUNQJANOM-YJYMSZOUSA-N -1 3 390.422 3.520 20 0 GHADHM CCCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736491724 599046775 /nfs/dbraw/zinc/04/67/75/599046775.db2.gz YCHFPFIMVVJLQQ-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM CCCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736491724 599046779 /nfs/dbraw/zinc/04/67/79/599046779.db2.gz YCHFPFIMVVJLQQ-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM CCOc1cccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000736655051 599048895 /nfs/dbraw/zinc/04/88/95/599048895.db2.gz QAVQMHWBICCYQR-JTQLQIEISA-N -1 3 378.358 3.852 20 0 GHADHM CCOc1cccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000736655051 599048897 /nfs/dbraw/zinc/04/88/97/599048897.db2.gz QAVQMHWBICCYQR-JTQLQIEISA-N -1 3 378.358 3.852 20 0 GHADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820777018 599050928 /nfs/dbraw/zinc/05/09/28/599050928.db2.gz OVZQRRJZCWAZLQ-TZMCWYRMSA-N -1 3 388.397 3.911 20 0 GHADHM C[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820777018 599050931 /nfs/dbraw/zinc/05/09/31/599050931.db2.gz OVZQRRJZCWAZLQ-TZMCWYRMSA-N -1 3 388.397 3.911 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCOc3ccccc32)n1 ZINC000737633456 599052267 /nfs/dbraw/zinc/05/22/67/599052267.db2.gz SEQNMAZPUIADGN-GFCCVEGCSA-N -1 3 376.342 3.606 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCOc3ccccc32)n1 ZINC000737633456 599052269 /nfs/dbraw/zinc/05/22/69/599052269.db2.gz SEQNMAZPUIADGN-GFCCVEGCSA-N -1 3 376.342 3.606 20 0 GHADHM CN(C)[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000736761880 599058708 /nfs/dbraw/zinc/05/87/08/599058708.db2.gz VSXVSJPXFQVXDU-HNNXBMFYSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC000736761880 599058711 /nfs/dbraw/zinc/05/87/11/599058711.db2.gz VSXVSJPXFQVXDU-HNNXBMFYSA-N -1 3 378.814 3.513 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737390488 599061757 /nfs/dbraw/zinc/06/17/57/599061757.db2.gz UIQZMWVLMKJLJE-KRWDZBQOSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1cccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737390488 599061760 /nfs/dbraw/zinc/06/17/60/599061760.db2.gz UIQZMWVLMKJLJE-KRWDZBQOSA-N -1 3 392.507 3.899 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501529 599071110 /nfs/dbraw/zinc/07/11/10/599071110.db2.gz DNZLHNQJKHTHEW-OAUYIBNBSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501529 599071113 /nfs/dbraw/zinc/07/11/13/599071113.db2.gz DNZLHNQJKHTHEW-OAUYIBNBSA-N -1 3 397.429 3.858 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000735561101 599074377 /nfs/dbraw/zinc/07/43/77/599074377.db2.gz VOMDBYXOHGRJME-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000735561101 599074379 /nfs/dbraw/zinc/07/43/79/599074379.db2.gz VOMDBYXOHGRJME-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737329527 599082638 /nfs/dbraw/zinc/08/26/38/599082638.db2.gz KHDSLSXHRPMQET-VQIMIIECSA-N -1 3 391.475 3.696 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737329527 599082639 /nfs/dbraw/zinc/08/26/39/599082639.db2.gz KHDSLSXHRPMQET-VQIMIIECSA-N -1 3 391.475 3.696 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000736266038 599082673 /nfs/dbraw/zinc/08/26/73/599082673.db2.gz MJQBAPGWLMRNCR-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)[C@H]1C ZINC000736266038 599082677 /nfs/dbraw/zinc/08/26/77/599082677.db2.gz MJQBAPGWLMRNCR-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1cc(NCC[C@@H](O)c2ccccc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209318 599086216 /nfs/dbraw/zinc/08/62/16/599086216.db2.gz CTRNHHFIKWNTQR-GOSISDBHSA-N -1 3 399.458 3.512 20 0 GHADHM Cc1cc(NCC[C@@H](O)c2ccccc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209318 599086219 /nfs/dbraw/zinc/08/62/19/599086219.db2.gz CTRNHHFIKWNTQR-GOSISDBHSA-N -1 3 399.458 3.512 20 0 GHADHM O[C@@H](C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000823675841 599109571 /nfs/dbraw/zinc/10/95/71/599109571.db2.gz ZXMDJSDFRVYLBH-UZLBHIALSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@@H](C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000823675841 599109572 /nfs/dbraw/zinc/10/95/72/599109572.db2.gz ZXMDJSDFRVYLBH-UZLBHIALSA-N -1 3 386.459 3.507 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C(=O)c2ccccc2)CC1 ZINC000737408109 599121468 /nfs/dbraw/zinc/12/14/68/599121468.db2.gz FOCJBLFVMWMLNH-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C(=O)c2ccccc2)CC1 ZINC000737408109 599121470 /nfs/dbraw/zinc/12/14/70/599121470.db2.gz FOCJBLFVMWMLNH-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM c1coc(-c2c3c(nc(SC[C@@H]4CCCOC4)c2-c2nnn[n-]2)CCC3)c1 ZINC000823815360 607258792 /nfs/dbraw/zinc/25/87/92/607258792.db2.gz DDWBKQDSBKEIOV-GFCCVEGCSA-N -1 3 383.477 3.529 20 0 GHADHM CC(C)[C@@H](C(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820017377 599134462 /nfs/dbraw/zinc/13/44/62/599134462.db2.gz VLPPYMUNMDJBTP-LJQANCHMSA-N -1 3 395.532 3.656 20 0 GHADHM CC(C)[C@@H](C(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820017377 599134463 /nfs/dbraw/zinc/13/44/63/599134463.db2.gz VLPPYMUNMDJBTP-LJQANCHMSA-N -1 3 395.532 3.656 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764866 599136499 /nfs/dbraw/zinc/13/64/99/599136499.db2.gz LOUDINFYFMHYOH-XYOKQWHBSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764866 599136501 /nfs/dbraw/zinc/13/65/01/599136501.db2.gz LOUDINFYFMHYOH-XYOKQWHBSA-N -1 3 387.365 3.605 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000822419380 599138284 /nfs/dbraw/zinc/13/82/84/599138284.db2.gz QLCDZCSWDDJIBI-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000822419380 599138285 /nfs/dbraw/zinc/13/82/85/599138285.db2.gz QLCDZCSWDDJIBI-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCC(F)(F)F ZINC000822211808 599142040 /nfs/dbraw/zinc/14/20/40/599142040.db2.gz PJIWFNLEBMOXGI-UHFFFAOYSA-N -1 3 392.341 3.643 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)(C)C ZINC000736017528 599144194 /nfs/dbraw/zinc/14/41/94/599144194.db2.gz OHZJTVFXERJSRZ-ZDUSSCGKSA-N -1 3 395.467 3.858 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)(C)C ZINC000736017528 599144196 /nfs/dbraw/zinc/14/41/96/599144196.db2.gz OHZJTVFXERJSRZ-ZDUSSCGKSA-N -1 3 395.467 3.858 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1oc2ccccc2c1C ZINC000736634564 599145090 /nfs/dbraw/zinc/14/50/90/599145090.db2.gz LQLRIPDDRBNIRF-UHFFFAOYSA-N -1 3 392.419 3.642 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1oc2ccccc2c1C ZINC000736634564 599145092 /nfs/dbraw/zinc/14/50/92/599145092.db2.gz LQLRIPDDRBNIRF-UHFFFAOYSA-N -1 3 392.419 3.642 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)/C=C/C2CC2)cc1 ZINC000821701965 599148787 /nfs/dbraw/zinc/14/87/87/599148787.db2.gz BSQPXCGYTAWXPO-NYYWCZLTSA-N -1 3 377.404 3.572 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)/C=C/C2CC2)cc1 ZINC000821701965 599148789 /nfs/dbraw/zinc/14/87/89/599148789.db2.gz BSQPXCGYTAWXPO-NYYWCZLTSA-N -1 3 377.404 3.572 20 0 GHADHM Brc1ccc(-c2cnc(COc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000735368327 599158584 /nfs/dbraw/zinc/15/85/84/599158584.db2.gz JKMFMTMGZVUNNX-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM Brc1ccc(-c2cnc(COc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000735368327 599158585 /nfs/dbraw/zinc/15/85/85/599158585.db2.gz JKMFMTMGZVUNNX-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000735902992 599159353 /nfs/dbraw/zinc/15/93/53/599159353.db2.gz CCJVEMIWQICSMJ-STQMWFEESA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000735902992 599159356 /nfs/dbraw/zinc/15/93/56/599159356.db2.gz CCJVEMIWQICSMJ-STQMWFEESA-N -1 3 399.401 3.674 20 0 GHADHM Clc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000737574871 599160005 /nfs/dbraw/zinc/16/00/05/599160005.db2.gz VKBBAHVUWCGGHC-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000737574871 599160007 /nfs/dbraw/zinc/16/00/07/599160007.db2.gz VKBBAHVUWCGGHC-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM FC(F)(F)c1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737635883 599160286 /nfs/dbraw/zinc/16/02/86/599160286.db2.gz OPPZPMZHZBMEJL-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM FC(F)(F)c1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737635883 599160288 /nfs/dbraw/zinc/16/02/88/599160288.db2.gz OPPZPMZHZBMEJL-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000735977988 599160572 /nfs/dbraw/zinc/16/05/72/599160572.db2.gz YOYOPZYOUXYHDU-OAHLLOKOSA-N -1 3 381.455 3.937 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000735977988 599160573 /nfs/dbraw/zinc/16/05/73/599160573.db2.gz YOYOPZYOUXYHDU-OAHLLOKOSA-N -1 3 381.455 3.937 20 0 GHADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(CSc3ccc4c(c3)CCC4)o2)c1 ZINC000738404592 599163291 /nfs/dbraw/zinc/16/32/91/599163291.db2.gz FUJHMFPCZHFJEL-UHFFFAOYSA-N -1 3 376.445 3.698 20 0 GHADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CSc3ccc4c(c3)CCC4)o2)c1 ZINC000738404592 599163293 /nfs/dbraw/zinc/16/32/93/599163293.db2.gz FUJHMFPCZHFJEL-UHFFFAOYSA-N -1 3 376.445 3.698 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737959764 599163368 /nfs/dbraw/zinc/16/33/68/599163368.db2.gz ATPYHHRMFJBVTK-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737959764 599163369 /nfs/dbraw/zinc/16/33/69/599163369.db2.gz ATPYHHRMFJBVTK-UHFFFAOYSA-N -1 3 377.448 3.759 20 0 GHADHM O=C(Nc1ccc(C2CC2)nn1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738160068 599164028 /nfs/dbraw/zinc/16/40/28/599164028.db2.gz RCLKEWZGJNEVFF-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737190454 599171331 /nfs/dbraw/zinc/17/13/31/599171331.db2.gz MLNAXQXQMAAAKT-JTQLQIEISA-N -1 3 389.481 3.847 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737190454 599171332 /nfs/dbraw/zinc/17/13/32/599171332.db2.gz MLNAXQXQMAAAKT-JTQLQIEISA-N -1 3 389.481 3.847 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822229282 599171529 /nfs/dbraw/zinc/17/15/29/599171529.db2.gz QWUFVGYHWYOBKH-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822229282 599171531 /nfs/dbraw/zinc/17/15/31/599171531.db2.gz QWUFVGYHWYOBKH-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822940901 599177042 /nfs/dbraw/zinc/17/70/42/599177042.db2.gz JEJNBFCMRCIIQF-UHFFFAOYSA-N -1 3 393.466 3.986 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822940901 599177043 /nfs/dbraw/zinc/17/70/43/599177043.db2.gz JEJNBFCMRCIIQF-UHFFFAOYSA-N -1 3 393.466 3.986 20 0 GHADHM Cc1cccc(C2(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)CCCCC2)c1 ZINC000822299232 599184510 /nfs/dbraw/zinc/18/45/10/599184510.db2.gz BZEYJJKZJVAGNQ-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM Cc1cccc(C2(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CCCCC2)c1 ZINC000822299232 599184512 /nfs/dbraw/zinc/18/45/12/599184512.db2.gz BZEYJJKZJVAGNQ-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H](C)S1 ZINC000820742271 599187927 /nfs/dbraw/zinc/18/79/27/599187927.db2.gz IPACMQJGNCSSPZ-ZIAGYGMSSA-N -1 3 394.504 3.576 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NC1(c2nccs2)CCCC1 ZINC000738151957 599188867 /nfs/dbraw/zinc/18/88/67/599188867.db2.gz MCWBTEHDRHZSQG-UHFFFAOYSA-N -1 3 389.872 3.568 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NC1(c2nccs2)CCCC1 ZINC000738151957 599188869 /nfs/dbraw/zinc/18/88/69/599188869.db2.gz MCWBTEHDRHZSQG-UHFFFAOYSA-N -1 3 389.872 3.568 20 0 GHADHM COc1ccc2sc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)c(C)c2c1 ZINC000737120596 599187594 /nfs/dbraw/zinc/18/75/94/599187594.db2.gz PKLXSZNRTBTYJN-UHFFFAOYSA-N -1 3 379.445 3.959 20 0 GHADHM COc1ccc2sc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)c(C)c2c1 ZINC000737120596 599187598 /nfs/dbraw/zinc/18/75/98/599187598.db2.gz PKLXSZNRTBTYJN-UHFFFAOYSA-N -1 3 379.445 3.959 20 0 GHADHM O=C(NCc1ccco1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738124318 599193868 /nfs/dbraw/zinc/19/38/68/599193868.db2.gz OOJAAYFPEBOXQN-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820020289 599210739 /nfs/dbraw/zinc/21/07/39/599210739.db2.gz DDIVXEJHKCZQDK-XEDBTPMOSA-N -1 3 393.466 3.745 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820020289 599210742 /nfs/dbraw/zinc/21/07/42/599210742.db2.gz DDIVXEJHKCZQDK-XEDBTPMOSA-N -1 3 393.466 3.745 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC000819867913 599217437 /nfs/dbraw/zinc/21/74/37/599217437.db2.gz VHQAVZPEAKKHRJ-SECBINFHSA-N -1 3 395.316 3.935 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(F)(F)F ZINC000819867913 599217440 /nfs/dbraw/zinc/21/74/40/599217440.db2.gz VHQAVZPEAKKHRJ-SECBINFHSA-N -1 3 395.316 3.935 20 0 GHADHM CCc1ocnc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821563911 599220685 /nfs/dbraw/zinc/22/06/85/599220685.db2.gz LOOSBBMFRLDLFM-UHFFFAOYSA-N -1 3 394.366 3.601 20 0 GHADHM CCc1ocnc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821563911 599220688 /nfs/dbraw/zinc/22/06/88/599220688.db2.gz LOOSBBMFRLDLFM-UHFFFAOYSA-N -1 3 394.366 3.601 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1nc(Cc2ccccc2)no1 ZINC000820548476 599222266 /nfs/dbraw/zinc/22/22/66/599222266.db2.gz AOFYDYSIZLNLDC-LBPRGKRZSA-N -1 3 396.451 3.974 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1nc(Cc2ccccc2)no1 ZINC000820548476 599222268 /nfs/dbraw/zinc/22/22/68/599222268.db2.gz AOFYDYSIZLNLDC-LBPRGKRZSA-N -1 3 396.451 3.974 20 0 GHADHM CC(C)Oc1ccc(OC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000735912609 599223489 /nfs/dbraw/zinc/22/34/89/599223489.db2.gz GHOPPVNZQUXGAI-LJQANCHMSA-N -1 3 396.447 3.663 20 0 GHADHM CC(C)Oc1ccc(OC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000735912609 599223490 /nfs/dbraw/zinc/22/34/90/599223490.db2.gz GHOPPVNZQUXGAI-LJQANCHMSA-N -1 3 396.447 3.663 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000736403153 599224358 /nfs/dbraw/zinc/22/43/58/599224358.db2.gz SOXRDEKFTQVRKR-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000736403153 599224361 /nfs/dbraw/zinc/22/43/61/599224361.db2.gz SOXRDEKFTQVRKR-OAHLLOKOSA-N -1 3 395.463 3.691 20 0 GHADHM CC(C)CNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820097338 599230641 /nfs/dbraw/zinc/23/06/41/599230641.db2.gz NDKYTKUOKFKZKB-UHFFFAOYSA-N -1 3 386.456 3.741 20 0 GHADHM CC(C)CNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820097338 599230643 /nfs/dbraw/zinc/23/06/43/599230643.db2.gz NDKYTKUOKFKZKB-UHFFFAOYSA-N -1 3 386.456 3.741 20 0 GHADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(Cc1ccccc1)c1ccccc1 ZINC000823498518 607263194 /nfs/dbraw/zinc/26/31/94/607263194.db2.gz SNYJQVQRXFBMIF-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(Cc1ccccc1)c1ccccc1 ZINC000823498518 607263195 /nfs/dbraw/zinc/26/31/95/607263195.db2.gz SNYJQVQRXFBMIF-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(Nc1ccccc1N1CCCCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823372850 607263419 /nfs/dbraw/zinc/26/34/19/607263419.db2.gz LZCWCQOYPNGZEN-UHFFFAOYSA-N -1 3 397.870 3.548 20 0 GHADHM O=C(Nc1ccccc1N1CCCCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823372850 607263420 /nfs/dbraw/zinc/26/34/20/607263420.db2.gz LZCWCQOYPNGZEN-UHFFFAOYSA-N -1 3 397.870 3.548 20 0 GHADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1C2CCCC1CCC2 ZINC000738258028 599227948 /nfs/dbraw/zinc/22/79/48/599227948.db2.gz KNEMHTBAUZZVKT-UHFFFAOYSA-N -1 3 393.447 3.586 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373869 599234957 /nfs/dbraw/zinc/23/49/57/599234957.db2.gz KKUYBOBBUVRRAV-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373869 599234958 /nfs/dbraw/zinc/23/49/58/599234958.db2.gz KKUYBOBBUVRRAV-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nnn[n-]4)c3C)cs2)cc1 ZINC000822213793 607267449 /nfs/dbraw/zinc/26/74/49/607267449.db2.gz AUGWCWLTZUPEEP-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nn[n-]n4)c3C)cs2)cc1 ZINC000822213793 607267450 /nfs/dbraw/zinc/26/74/50/607267450.db2.gz AUGWCWLTZUPEEP-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233299 599241117 /nfs/dbraw/zinc/24/11/17/599241117.db2.gz LWKWSKQXZUFUOA-MOPGFXCFSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233299 599241120 /nfs/dbraw/zinc/24/11/20/599241120.db2.gz LWKWSKQXZUFUOA-MOPGFXCFSA-N -1 3 376.464 3.975 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823257482 607279343 /nfs/dbraw/zinc/27/93/43/607279343.db2.gz OJLJCTLCGDUBCH-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OC1CCCC1 ZINC000823257482 607279344 /nfs/dbraw/zinc/27/93/44/607279344.db2.gz OJLJCTLCGDUBCH-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822083413 607284540 /nfs/dbraw/zinc/28/45/40/607284540.db2.gz AIRBLAXKGAHWBO-OAQYLSRUSA-N -1 3 376.464 3.761 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822083413 607284541 /nfs/dbraw/zinc/28/45/41/607284541.db2.gz AIRBLAXKGAHWBO-OAQYLSRUSA-N -1 3 376.464 3.761 20 0 GHADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821422148 599257392 /nfs/dbraw/zinc/25/73/92/599257392.db2.gz POHFTVYHPLCYHT-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821422148 599257395 /nfs/dbraw/zinc/25/73/95/599257395.db2.gz POHFTVYHPLCYHT-LLVKDONJSA-N -1 3 386.843 3.802 20 0 GHADHM CCCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821133895 599257785 /nfs/dbraw/zinc/25/77/85/599257785.db2.gz JTJROBQYKQMKBD-CQSZACIVSA-N -1 3 380.452 3.847 20 0 GHADHM CCCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821133895 599257787 /nfs/dbraw/zinc/25/77/87/599257787.db2.gz JTJROBQYKQMKBD-CQSZACIVSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822089497 607290115 /nfs/dbraw/zinc/29/01/15/607290115.db2.gz CXRJWEOWTHBBMA-ABAIWWIYSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822089497 607290116 /nfs/dbraw/zinc/29/01/16/607290116.db2.gz CXRJWEOWTHBBMA-ABAIWWIYSA-N -1 3 386.818 3.645 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822061559 607296731 /nfs/dbraw/zinc/29/67/31/607296731.db2.gz QBLVEQUQGVJSGU-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822061559 607296732 /nfs/dbraw/zinc/29/67/32/607296732.db2.gz QBLVEQUQGVJSGU-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000822242165 607298030 /nfs/dbraw/zinc/29/80/30/607298030.db2.gz CJJLYGIKWHOWSN-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000822242165 607298031 /nfs/dbraw/zinc/29/80/31/607298031.db2.gz CJJLYGIKWHOWSN-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822034464 607298258 /nfs/dbraw/zinc/29/82/58/607298258.db2.gz DWVYDZCEZPBNPR-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822034464 607298259 /nfs/dbraw/zinc/29/82/59/607298259.db2.gz DWVYDZCEZPBNPR-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820666762 599262822 /nfs/dbraw/zinc/26/28/22/599262822.db2.gz JNOYIDWKPFDTGL-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820666762 599262824 /nfs/dbraw/zinc/26/28/24/599262824.db2.gz JNOYIDWKPFDTGL-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000822217906 599269762 /nfs/dbraw/zinc/26/97/62/599269762.db2.gz REKGUQCLKXPTDW-MAUKXSAKSA-N -1 3 376.464 3.833 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000822217906 599269765 /nfs/dbraw/zinc/26/97/65/599269765.db2.gz REKGUQCLKXPTDW-MAUKXSAKSA-N -1 3 376.464 3.833 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821763223 599275637 /nfs/dbraw/zinc/27/56/37/599275637.db2.gz WDIVNBZVQPASRQ-YVEFUNNKSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821763223 599275638 /nfs/dbraw/zinc/27/56/38/599275638.db2.gz WDIVNBZVQPASRQ-YVEFUNNKSA-N -1 3 396.426 3.629 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(C)ccc2o1 ZINC000736487481 599276556 /nfs/dbraw/zinc/27/65/56/599276556.db2.gz GGAJPDHMJOEFTE-UHFFFAOYSA-N -1 3 376.420 3.996 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000736488364 599277449 /nfs/dbraw/zinc/27/74/49/599277449.db2.gz PVTLZZGZYKQNMY-HZPDHXFCSA-N -1 3 380.427 3.570 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821147495 599284198 /nfs/dbraw/zinc/28/41/98/599284198.db2.gz HDNMKSMLUAUFKS-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821147495 599284199 /nfs/dbraw/zinc/28/41/99/599284199.db2.gz HDNMKSMLUAUFKS-UHFFFAOYSA-N -1 3 375.436 3.553 20 0 GHADHM CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922466 599286777 /nfs/dbraw/zinc/28/67/77/599286777.db2.gz JYTVDKIGZTWKSA-ZDUSSCGKSA-N -1 3 392.492 3.819 20 0 GHADHM CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922466 599286779 /nfs/dbraw/zinc/28/67/79/599286779.db2.gz JYTVDKIGZTWKSA-ZDUSSCGKSA-N -1 3 392.492 3.819 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820696743 599288123 /nfs/dbraw/zinc/28/81/23/599288123.db2.gz BSRAAGOFHNNZLP-WDEREUQCSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820696743 599288125 /nfs/dbraw/zinc/28/81/25/599288125.db2.gz BSRAAGOFHNNZLP-WDEREUQCSA-N -1 3 382.390 3.928 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000823303802 599290216 /nfs/dbraw/zinc/29/02/16/599290216.db2.gz WAJVIDNGXCQOKX-DZGCQCFKSA-N -1 3 388.353 3.563 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000823303802 599290218 /nfs/dbraw/zinc/29/02/18/599290218.db2.gz WAJVIDNGXCQOKX-DZGCQCFKSA-N -1 3 388.353 3.563 20 0 GHADHM Cc1cn(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000822384060 607329446 /nfs/dbraw/zinc/32/94/46/607329446.db2.gz GMFUKGOORYXEPI-IBGZPJMESA-N -1 3 392.507 3.638 20 0 GHADHM Cc1cn(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000822384060 607329447 /nfs/dbraw/zinc/32/94/47/607329447.db2.gz GMFUKGOORYXEPI-IBGZPJMESA-N -1 3 392.507 3.638 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000821082062 607333466 /nfs/dbraw/zinc/33/34/66/607333466.db2.gz GCMJMYLFMIHGHL-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM CCCN(C(=O)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000821082062 607333467 /nfs/dbraw/zinc/33/34/67/607333467.db2.gz GCMJMYLFMIHGHL-UHFFFAOYSA-N -1 3 396.470 3.879 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1csc(CCc2ccccc2)n1 ZINC000822748138 607332921 /nfs/dbraw/zinc/33/29/21/607332921.db2.gz JRJZEHFKBQADKR-UHFFFAOYSA-N -1 3 380.452 3.860 20 0 GHADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)sc1C ZINC000826327077 607844894 /nfs/dbraw/zinc/84/48/94/607844894.db2.gz RDZRYMMQFMKHIE-SECBINFHSA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)sc1C ZINC000826327077 607844895 /nfs/dbraw/zinc/84/48/95/607844895.db2.gz RDZRYMMQFMKHIE-SECBINFHSA-N -1 3 394.913 3.713 20 0 GHADHM CC(C)(CNC(=O)c1sccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000735670725 598239069 /nfs/dbraw/zinc/23/90/69/598239069.db2.gz VQDCAWREHAOOCL-UHFFFAOYSA-N -1 3 396.303 3.943 20 0 GHADHM CC(C)(CNC(=O)c1sccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000735670725 598239071 /nfs/dbraw/zinc/23/90/71/598239071.db2.gz VQDCAWREHAOOCL-UHFFFAOYSA-N -1 3 396.303 3.943 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736798074 598239675 /nfs/dbraw/zinc/23/96/75/598239675.db2.gz OFTAEBJLMJNIKF-UHFFFAOYSA-N -1 3 395.417 3.604 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736798074 598239677 /nfs/dbraw/zinc/23/96/77/598239677.db2.gz OFTAEBJLMJNIKF-UHFFFAOYSA-N -1 3 395.417 3.604 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737853765 598240461 /nfs/dbraw/zinc/24/04/61/598240461.db2.gz UYJIEOPGDUQSLK-FQEVSTJZSA-N -1 3 393.466 3.562 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000737853765 598240462 /nfs/dbraw/zinc/24/04/62/598240462.db2.gz UYJIEOPGDUQSLK-FQEVSTJZSA-N -1 3 393.466 3.562 20 0 GHADHM CCC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736425610 598294222 /nfs/dbraw/zinc/29/42/22/598294222.db2.gz VTLPWYRTGVGEAD-HNNXBMFYSA-N -1 3 396.470 3.906 20 0 GHADHM CCC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736425610 598294224 /nfs/dbraw/zinc/29/42/24/598294224.db2.gz VTLPWYRTGVGEAD-HNNXBMFYSA-N -1 3 396.470 3.906 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1(C(F)(F)F)CC1 ZINC000738173180 598296833 /nfs/dbraw/zinc/29/68/33/598296833.db2.gz DDJXSBXQXDTPDK-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1(C(F)(F)F)CC1 ZINC000738173180 598296835 /nfs/dbraw/zinc/29/68/35/598296835.db2.gz DDJXSBXQXDTPDK-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM CC(=O)Nc1cccc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735489114 598300017 /nfs/dbraw/zinc/30/00/17/598300017.db2.gz WLTKYQCSIQQWRI-UHFFFAOYSA-N -1 3 383.477 3.527 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CCc2c(ccc(Cl)c2Cl)C1 ZINC000737648906 598300820 /nfs/dbraw/zinc/30/08/20/598300820.db2.gz JNFBBJQCUSROHE-UHFFFAOYSA-N -1 3 378.238 3.871 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCc2c(ccc(Cl)c2Cl)C1 ZINC000737648906 598300822 /nfs/dbraw/zinc/30/08/22/598300822.db2.gz JNFBBJQCUSROHE-UHFFFAOYSA-N -1 3 378.238 3.871 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736167723 598309229 /nfs/dbraw/zinc/30/92/29/598309229.db2.gz HLOIXPOGQKGMBK-CYBMUJFWSA-N -1 3 397.454 3.734 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736167723 598309231 /nfs/dbraw/zinc/30/92/31/598309231.db2.gz HLOIXPOGQKGMBK-CYBMUJFWSA-N -1 3 397.454 3.734 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)s2)o1 ZINC000737287014 598310393 /nfs/dbraw/zinc/31/03/93/598310393.db2.gz BQACAEYEPRUMSB-UHFFFAOYSA-N -1 3 398.423 3.616 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)s2)o1 ZINC000737287014 598310395 /nfs/dbraw/zinc/31/03/95/598310395.db2.gz BQACAEYEPRUMSB-UHFFFAOYSA-N -1 3 398.423 3.616 20 0 GHADHM CCC[C@@H](NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736430583 598314783 /nfs/dbraw/zinc/31/47/83/598314783.db2.gz ZPGZZKKCKWRCER-GOSISDBHSA-N -1 3 399.495 3.897 20 0 GHADHM CCC[C@@H](NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736430583 598314785 /nfs/dbraw/zinc/31/47/85/598314785.db2.gz ZPGZZKKCKWRCER-GOSISDBHSA-N -1 3 399.495 3.897 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](c1ccccc1)C1CC1 ZINC000738408473 598319464 /nfs/dbraw/zinc/31/94/64/598319464.db2.gz LRIYPCIRKBYDMO-MRXNPFEDSA-N -1 3 384.896 3.958 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](c1ccccc1)C1CC1 ZINC000738408473 598319465 /nfs/dbraw/zinc/31/94/65/598319465.db2.gz LRIYPCIRKBYDMO-MRXNPFEDSA-N -1 3 384.896 3.958 20 0 GHADHM CCN(C(=S)N[C@@H](C)c1cccs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507934 598321864 /nfs/dbraw/zinc/32/18/64/598321864.db2.gz HCLDNLFUUHJXNB-STQMWFEESA-N -1 3 386.550 3.947 20 0 GHADHM CCN(C(=S)N[C@@H](C)c1cccs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507934 598321865 /nfs/dbraw/zinc/32/18/65/598321865.db2.gz HCLDNLFUUHJXNB-STQMWFEESA-N -1 3 386.550 3.947 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735819558 598323485 /nfs/dbraw/zinc/32/34/85/598323485.db2.gz XVJOJYNRCJNKCJ-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735819558 598323487 /nfs/dbraw/zinc/32/34/87/598323487.db2.gz XVJOJYNRCJNKCJ-UHFFFAOYSA-N -1 3 382.443 3.916 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000736366165 598325638 /nfs/dbraw/zinc/32/56/38/598325638.db2.gz YUWPLSBDWNONEY-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736366165 598325641 /nfs/dbraw/zinc/32/56/41/598325641.db2.gz YUWPLSBDWNONEY-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM CCCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCc2ccccc21 ZINC000736470689 598327700 /nfs/dbraw/zinc/32/77/00/598327700.db2.gz TXSBLNIAULEGJL-LJQANCHMSA-N -1 3 394.454 3.615 20 0 GHADHM CCCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCc2ccccc21 ZINC000736470689 598327702 /nfs/dbraw/zinc/32/77/02/598327702.db2.gz TXSBLNIAULEGJL-LJQANCHMSA-N -1 3 394.454 3.615 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000820151611 607350476 /nfs/dbraw/zinc/35/04/76/607350476.db2.gz JSZMUOLOUDLRHJ-AWEZNQCLSA-N -1 3 383.477 3.774 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000820151611 607350478 /nfs/dbraw/zinc/35/04/78/607350478.db2.gz JSZMUOLOUDLRHJ-AWEZNQCLSA-N -1 3 383.477 3.774 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000737246982 598354775 /nfs/dbraw/zinc/35/47/75/598354775.db2.gz WTHHZLYWVASMSX-ZIAGYGMSSA-N -1 3 385.269 3.609 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000737246982 598354778 /nfs/dbraw/zinc/35/47/78/598354778.db2.gz WTHHZLYWVASMSX-ZIAGYGMSSA-N -1 3 385.269 3.609 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738410186 598359910 /nfs/dbraw/zinc/35/99/10/598359910.db2.gz WCPHXFWYYGKJMP-MRXNPFEDSA-N -1 3 378.505 3.518 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738410186 598359911 /nfs/dbraw/zinc/35/99/11/598359911.db2.gz WCPHXFWYYGKJMP-MRXNPFEDSA-N -1 3 378.505 3.518 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(-c2ccccc2)sc1=S ZINC000736818653 598362751 /nfs/dbraw/zinc/36/27/51/598362751.db2.gz SQVIYZPEGFFVGQ-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(-c2ccccc2)sc1=S ZINC000736818653 598362752 /nfs/dbraw/zinc/36/27/52/598362752.db2.gz SQVIYZPEGFFVGQ-UHFFFAOYSA-N -1 3 395.517 3.611 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCC2(c3ccccc3Cl)CCOCC2)n1 ZINC000737240253 598364353 /nfs/dbraw/zinc/36/43/53/598364353.db2.gz IXOAULXEUQTTRX-UHFFFAOYSA-N -1 3 398.898 3.692 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCC2(c3ccccc3Cl)CCOCC2)n1 ZINC000737240253 598364355 /nfs/dbraw/zinc/36/43/55/598364355.db2.gz IXOAULXEUQTTRX-UHFFFAOYSA-N -1 3 398.898 3.692 20 0 GHADHM Cc1sc(NC(=O)c2cn(C)nc2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737564837 598365917 /nfs/dbraw/zinc/36/59/17/598365917.db2.gz TXGPQTRALQGMRK-UHFFFAOYSA-N -1 3 385.497 3.579 20 0 GHADHM Cc1sc(NC(=O)c2cn(C)nc2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737564837 598365919 /nfs/dbraw/zinc/36/59/19/598365919.db2.gz TXGPQTRALQGMRK-UHFFFAOYSA-N -1 3 385.497 3.579 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1cc(Cl)ccc1Cl ZINC000738387836 598370222 /nfs/dbraw/zinc/37/02/22/598370222.db2.gz PXFLDINPZWRXOU-GFCCVEGCSA-N -1 3 397.287 3.706 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736111734 598370449 /nfs/dbraw/zinc/37/04/49/598370449.db2.gz NWDAHKCJZREBMK-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736111734 598370451 /nfs/dbraw/zinc/37/04/51/598370451.db2.gz NWDAHKCJZREBMK-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM c1ccc(-c2noc([C@H]3CCCCN3Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738426491 598375343 /nfs/dbraw/zinc/37/53/43/598375343.db2.gz RCDZPHVSJVSOLC-GOSISDBHSA-N -1 3 387.447 3.644 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000737059483 598380288 /nfs/dbraw/zinc/38/02/88/598380288.db2.gz UYZKDVSJNYRWTP-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000737059483 598380290 /nfs/dbraw/zinc/38/02/90/598380290.db2.gz UYZKDVSJNYRWTP-IBGZPJMESA-N -1 3 393.447 3.514 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736189068 598416915 /nfs/dbraw/zinc/41/69/15/598416915.db2.gz ADSIJJZTRGKOMV-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736189068 598416917 /nfs/dbraw/zinc/41/69/17/598416917.db2.gz ADSIJJZTRGKOMV-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000518414048 598420229 /nfs/dbraw/zinc/42/02/29/598420229.db2.gz XTOICIFIBNYWAC-LLVKDONJSA-N -1 3 390.274 3.669 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000518414048 598420231 /nfs/dbraw/zinc/42/02/31/598420231.db2.gz XTOICIFIBNYWAC-LLVKDONJSA-N -1 3 390.274 3.669 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453620 598424590 /nfs/dbraw/zinc/42/45/90/598424590.db2.gz RPLPLPYHCCBVTB-HNNXBMFYSA-N -1 3 394.479 3.509 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453620 598424592 /nfs/dbraw/zinc/42/45/92/598424592.db2.gz RPLPLPYHCCBVTB-HNNXBMFYSA-N -1 3 394.479 3.509 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000735873586 598427208 /nfs/dbraw/zinc/42/72/08/598427208.db2.gz CMDQTDDRGGGREP-UHFFFAOYSA-N -1 3 390.491 3.519 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000735873586 598427210 /nfs/dbraw/zinc/42/72/10/598427210.db2.gz CMDQTDDRGGGREP-UHFFFAOYSA-N -1 3 390.491 3.519 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000735660204 598428165 /nfs/dbraw/zinc/42/81/65/598428165.db2.gz JMICRZPPFDEAIQ-CYBMUJFWSA-N -1 3 397.458 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000735660204 598428167 /nfs/dbraw/zinc/42/81/67/598428167.db2.gz JMICRZPPFDEAIQ-CYBMUJFWSA-N -1 3 397.458 3.584 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737426150 598430307 /nfs/dbraw/zinc/43/03/07/598430307.db2.gz KFAHKNDEDBXWKX-KRWDZBQOSA-N -1 3 392.507 3.726 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737426150 598430309 /nfs/dbraw/zinc/43/03/09/598430309.db2.gz KFAHKNDEDBXWKX-KRWDZBQOSA-N -1 3 392.507 3.726 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736452296 598432796 /nfs/dbraw/zinc/43/27/96/598432796.db2.gz DZFNGXYBRJROOQ-HNNXBMFYSA-N -1 3 393.495 3.986 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452296 598432798 /nfs/dbraw/zinc/43/27/98/598432798.db2.gz DZFNGXYBRJROOQ-HNNXBMFYSA-N -1 3 393.495 3.986 20 0 GHADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736448475 598436620 /nfs/dbraw/zinc/43/66/20/598436620.db2.gz ZVTIJPAMWLQIQZ-LBPRGKRZSA-N -1 3 377.514 3.588 20 0 GHADHM CCCCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000736448475 598436621 /nfs/dbraw/zinc/43/66/21/598436621.db2.gz ZVTIJPAMWLQIQZ-LBPRGKRZSA-N -1 3 377.514 3.588 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738196996 598439863 /nfs/dbraw/zinc/43/98/63/598439863.db2.gz QGUUVFCEWSUJHT-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738196996 598439865 /nfs/dbraw/zinc/43/98/65/598439865.db2.gz QGUUVFCEWSUJHT-UHFFFAOYSA-N -1 3 388.456 3.806 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(-c4nnn[n-]4)cc3F)o2)c(C)c1 ZINC000737288656 598439999 /nfs/dbraw/zinc/43/99/99/598439999.db2.gz MGYIWPNXIWXOAI-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3ccc(-c4nn[n-]n4)cc3F)o2)c(C)c1 ZINC000737288656 598440000 /nfs/dbraw/zinc/44/00/00/598440000.db2.gz MGYIWPNXIWXOAI-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000736819633 598442774 /nfs/dbraw/zinc/44/27/74/598442774.db2.gz GGZJVCYQDWRIIA-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000736819633 598442776 /nfs/dbraw/zinc/44/27/76/598442776.db2.gz GGZJVCYQDWRIIA-LEWJYISDSA-N -1 3 383.455 3.782 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nn[n-]n3)cc1)O[C@@H](C)C2 ZINC000736636174 598467151 /nfs/dbraw/zinc/46/71/51/598467151.db2.gz PCXZBTJKVLRJHI-ULFGMLNVSA-N -1 3 377.448 3.557 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737852132 598474177 /nfs/dbraw/zinc/47/41/77/598474177.db2.gz CMWPSZMRACUOKS-UHFFFAOYSA-N -1 3 396.882 3.692 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000737852132 598474178 /nfs/dbraw/zinc/47/41/78/598474178.db2.gz CMWPSZMRACUOKS-UHFFFAOYSA-N -1 3 396.882 3.692 20 0 GHADHM O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738166845 598475752 /nfs/dbraw/zinc/47/57/52/598475752.db2.gz XPYOCTDZKINZEH-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738166845 598475754 /nfs/dbraw/zinc/47/57/54/598475754.db2.gz XPYOCTDZKINZEH-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM CCCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000736493532 598476428 /nfs/dbraw/zinc/47/64/28/598476428.db2.gz WVVHHIIYEVQAKM-UHFFFAOYSA-N -1 3 392.463 3.852 20 0 GHADHM CCCOc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000736493532 598476430 /nfs/dbraw/zinc/47/64/30/598476430.db2.gz WVVHHIIYEVQAKM-UHFFFAOYSA-N -1 3 392.463 3.852 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@](C)(CC)c1ccccc1 ZINC000736637036 598483627 /nfs/dbraw/zinc/48/36/27/598483627.db2.gz NSZHCAYIGUWLTK-HXUWFJFHSA-N -1 3 380.452 3.712 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@](C)(CC)c1ccccc1 ZINC000736637036 598483629 /nfs/dbraw/zinc/48/36/29/598483629.db2.gz NSZHCAYIGUWLTK-HXUWFJFHSA-N -1 3 380.452 3.712 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737549048 598490244 /nfs/dbraw/zinc/49/02/44/598490244.db2.gz ZGYXQPMQJSHXMF-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737549048 598490245 /nfs/dbraw/zinc/49/02/45/598490245.db2.gz ZGYXQPMQJSHXMF-GFCCVEGCSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200508 598492191 /nfs/dbraw/zinc/49/21/91/598492191.db2.gz TYXWIJAUQIJOQE-LUGWNYHVSA-N -1 3 396.394 3.775 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736200508 598492192 /nfs/dbraw/zinc/49/21/92/598492192.db2.gz TYXWIJAUQIJOQE-LUGWNYHVSA-N -1 3 396.394 3.775 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000735659586 598493235 /nfs/dbraw/zinc/49/32/35/598493235.db2.gz DJAOJLNFHVQYBH-HNNXBMFYSA-N -1 3 378.480 3.872 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000735659586 598493236 /nfs/dbraw/zinc/49/32/36/598493236.db2.gz DJAOJLNFHVQYBH-HNNXBMFYSA-N -1 3 378.480 3.872 20 0 GHADHM CCC(=O)c1ccc(OCCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736309839 598494616 /nfs/dbraw/zinc/49/46/16/598494616.db2.gz SKWSMGHTMIVVIE-UHFFFAOYSA-N -1 3 394.431 3.614 20 0 GHADHM CCC(CC)(NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736335860 598498180 /nfs/dbraw/zinc/49/81/80/598498180.db2.gz WHBLGDANAWJFOD-UHFFFAOYSA-N -1 3 399.882 3.731 20 0 GHADHM CCC(CC)(NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736335860 598498182 /nfs/dbraw/zinc/49/81/82/598498182.db2.gz WHBLGDANAWJFOD-UHFFFAOYSA-N -1 3 399.882 3.731 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)[C@H]1CCCOC1 ZINC000738173859 598498580 /nfs/dbraw/zinc/49/85/80/598498580.db2.gz UQRDDNGCKVQLHG-ZDUSSCGKSA-N -1 3 399.838 3.678 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)[C@H]1CCCOC1 ZINC000738173859 598498582 /nfs/dbraw/zinc/49/85/82/598498582.db2.gz UQRDDNGCKVQLHG-ZDUSSCGKSA-N -1 3 399.838 3.678 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H](C)c2ccc(F)c(Br)c2)n1 ZINC000737241510 598503792 /nfs/dbraw/zinc/50/37/92/598503792.db2.gz RMMGLEZWVOEZBJ-SNVBAGLBSA-N -1 3 391.248 3.953 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H](C)c2ccc(F)c(Br)c2)n1 ZINC000737241510 598503793 /nfs/dbraw/zinc/50/37/93/598503793.db2.gz RMMGLEZWVOEZBJ-SNVBAGLBSA-N -1 3 391.248 3.953 20 0 GHADHM Cc1cccc(-c2noc(CSCc3cc(-c4nnn[n-]4)ccc3F)n2)c1 ZINC000737378518 598511983 /nfs/dbraw/zinc/51/19/83/598511983.db2.gz CZFTUYIOFBMIPC-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cccc(-c2noc(CSCc3cc(-c4nn[n-]n4)ccc3F)n2)c1 ZINC000737378518 598511986 /nfs/dbraw/zinc/51/19/86/598511986.db2.gz CZFTUYIOFBMIPC-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cccc(C(C)C)c2)c1-c1nnn[n-]1 ZINC000736674153 598516919 /nfs/dbraw/zinc/51/69/19/598516919.db2.gz AIAMPZDOUAXZGP-UHFFFAOYSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cccc(C(C)C)c2)c1-c1nn[n-]n1 ZINC000736674153 598516921 /nfs/dbraw/zinc/51/69/21/598516921.db2.gz AIAMPZDOUAXZGP-UHFFFAOYSA-N -1 3 385.493 3.940 20 0 GHADHM Cc1csc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)n1 ZINC000737454999 598529313 /nfs/dbraw/zinc/52/93/13/598529313.db2.gz LJCHCNADHABVQB-CQSZACIVSA-N -1 3 399.524 3.560 20 0 GHADHM Cc1csc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)n1 ZINC000737454999 598529315 /nfs/dbraw/zinc/52/93/15/598529315.db2.gz LJCHCNADHABVQB-CQSZACIVSA-N -1 3 399.524 3.560 20 0 GHADHM CCCCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736460378 598537709 /nfs/dbraw/zinc/53/77/09/598537709.db2.gz GORYCSVNQPVEIO-UHFFFAOYSA-N -1 3 382.493 3.532 20 0 GHADHM CCCCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736460378 598537710 /nfs/dbraw/zinc/53/77/10/598537710.db2.gz GORYCSVNQPVEIO-UHFFFAOYSA-N -1 3 382.493 3.532 20 0 GHADHM Fc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737648168 598537905 /nfs/dbraw/zinc/53/79/05/598537905.db2.gz HXAHCJIBPCEHKW-UHFFFAOYSA-N -1 3 382.346 3.834 20 0 GHADHM Fc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737648168 598537907 /nfs/dbraw/zinc/53/79/07/598537907.db2.gz HXAHCJIBPCEHKW-UHFFFAOYSA-N -1 3 382.346 3.834 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(C(F)(F)F)ccc1F ZINC000737798205 598542980 /nfs/dbraw/zinc/54/29/80/598542980.db2.gz HALVHEBCPPIDQN-VMPITWQZSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(C(F)(F)F)ccc1F ZINC000737798205 598542981 /nfs/dbraw/zinc/54/29/81/598542981.db2.gz HALVHEBCPPIDQN-VMPITWQZSA-N -1 3 377.301 3.677 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)coc2c1 ZINC000737371476 598547233 /nfs/dbraw/zinc/54/72/33/598547233.db2.gz DFZDKTDXILJBQF-UHFFFAOYSA-N -1 3 399.357 3.704 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)coc2c1 ZINC000737371476 598547234 /nfs/dbraw/zinc/54/72/34/598547234.db2.gz DFZDKTDXILJBQF-UHFFFAOYSA-N -1 3 399.357 3.704 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NC(C1CC1)C1CC1 ZINC000738174312 598566554 /nfs/dbraw/zinc/56/65/54/598566554.db2.gz WWAKYSDVCLHQQZ-UHFFFAOYSA-N -1 3 390.447 3.969 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NC(C1CC1)C1CC1 ZINC000738174312 598566555 /nfs/dbraw/zinc/56/65/55/598566555.db2.gz WWAKYSDVCLHQQZ-UHFFFAOYSA-N -1 3 390.447 3.969 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2ccccc2Cl)n1 ZINC000738191936 598572495 /nfs/dbraw/zinc/57/24/95/598572495.db2.gz OIXIAPVRGWSTHL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccccc2Cl)n1 ZINC000738191936 598572497 /nfs/dbraw/zinc/57/24/97/598572497.db2.gz OIXIAPVRGWSTHL-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2cc(Br)ccc2o1 ZINC000738192805 598574272 /nfs/dbraw/zinc/57/42/72/598574272.db2.gz WRZKDDUDFUMZSH-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2cc(Br)ccc2o1 ZINC000738192805 598574273 /nfs/dbraw/zinc/57/42/73/598574273.db2.gz WRZKDDUDFUMZSH-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM CC(C)c1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735928959 598575437 /nfs/dbraw/zinc/57/54/37/598575437.db2.gz SVUOGZGSYZIAAS-LJQANCHMSA-N -1 3 376.464 3.598 20 0 GHADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000738385240 598575862 /nfs/dbraw/zinc/57/58/62/598575862.db2.gz XIJAGECZVMAVNF-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000738385240 598575863 /nfs/dbraw/zinc/57/58/63/598575863.db2.gz XIJAGECZVMAVNF-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O=C(/C=C\Sc1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737796432 598577827 /nfs/dbraw/zinc/57/78/27/598577827.db2.gz OJQCKSAULOOECB-BENRWUELSA-N -1 3 397.529 3.522 20 0 GHADHM O=C(/C=C\Sc1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737796432 598577828 /nfs/dbraw/zinc/57/78/28/598577828.db2.gz OJQCKSAULOOECB-BENRWUELSA-N -1 3 397.529 3.522 20 0 GHADHM C[C@@H](c1cccc(O)c1)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736198848 598581514 /nfs/dbraw/zinc/58/15/14/598581514.db2.gz KZIZFXZIAWWUAI-JTQLQIEISA-N -1 3 388.884 3.616 20 0 GHADHM C[C@@H](c1cccc(O)c1)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736198848 598581515 /nfs/dbraw/zinc/58/15/15/598581515.db2.gz KZIZFXZIAWWUAI-JTQLQIEISA-N -1 3 388.884 3.616 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@@H]1CCOc2ccccc21 ZINC000738208172 598582688 /nfs/dbraw/zinc/58/26/88/598582688.db2.gz KFYLWMKEWNPPKJ-CYBMUJFWSA-N -1 3 395.488 3.702 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@@H]1CCOc2ccccc21 ZINC000738208172 598582690 /nfs/dbraw/zinc/58/26/90/598582690.db2.gz KFYLWMKEWNPPKJ-CYBMUJFWSA-N -1 3 395.488 3.702 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737660872 598582770 /nfs/dbraw/zinc/58/27/70/598582770.db2.gz UFMSXOCJLMBQIF-UHFFFAOYSA-N -1 3 398.345 3.713 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737660872 598582772 /nfs/dbraw/zinc/58/27/72/598582772.db2.gz UFMSXOCJLMBQIF-UHFFFAOYSA-N -1 3 398.345 3.713 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(OCc2cccs2)c1 ZINC000738165943 598586676 /nfs/dbraw/zinc/58/66/76/598586676.db2.gz HXEXSIWYDAWECD-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(OCc2cccs2)c1 ZINC000738165943 598586677 /nfs/dbraw/zinc/58/66/77/598586677.db2.gz HXEXSIWYDAWECD-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM COc1cc(CSCCOc2ccc(-c3nn[n-]n3)cc2)ccc1SC ZINC000737046501 598596934 /nfs/dbraw/zinc/59/69/34/598596934.db2.gz DJHFJRCIBBYFGW-UHFFFAOYSA-N -1 3 388.518 3.909 20 0 GHADHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737820102 598599692 /nfs/dbraw/zinc/59/96/92/598599692.db2.gz IDOZFIVXFRMKJG-UHFFFAOYSA-N -1 3 389.390 3.761 20 0 GHADHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737820102 598599694 /nfs/dbraw/zinc/59/96/94/598599694.db2.gz IDOZFIVXFRMKJG-UHFFFAOYSA-N -1 3 389.390 3.761 20 0 GHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736828810 598631196 /nfs/dbraw/zinc/63/11/96/598631196.db2.gz SVFAAICKTPLILY-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736828810 598631199 /nfs/dbraw/zinc/63/11/99/598631199.db2.gz SVFAAICKTPLILY-UHFFFAOYSA-N -1 3 394.332 3.689 20 0 GHADHM CC(C)CN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735828044 598633711 /nfs/dbraw/zinc/63/37/11/598633711.db2.gz ZGPIURJAVRKMSD-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM CC(C)CN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735828044 598633713 /nfs/dbraw/zinc/63/37/13/598633713.db2.gz ZGPIURJAVRKMSD-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000736115849 598633901 /nfs/dbraw/zinc/63/39/01/598633901.db2.gz KGCHEXJVLBSMTF-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000736115849 598633902 /nfs/dbraw/zinc/63/39/02/598633902.db2.gz KGCHEXJVLBSMTF-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736713683 598642496 /nfs/dbraw/zinc/64/24/96/598642496.db2.gz LCQBDROXRWFNPL-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736713683 598642497 /nfs/dbraw/zinc/64/24/97/598642497.db2.gz LCQBDROXRWFNPL-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM O=C(Nc1cccc(Cl)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738181939 598644167 /nfs/dbraw/zinc/64/41/67/598644167.db2.gz BVXCJTUKXVCHPL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(Cl)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738181939 598644169 /nfs/dbraw/zinc/64/41/69/598644169.db2.gz BVXCJTUKXVCHPL-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCc2ccccc21 ZINC000737833044 598645317 /nfs/dbraw/zinc/64/53/17/598645317.db2.gz NFXXDNGTEWJVQX-FQEVSTJZSA-N -1 3 391.475 3.610 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCc2ccccc21 ZINC000737833044 598645318 /nfs/dbraw/zinc/64/53/18/598645318.db2.gz NFXXDNGTEWJVQX-FQEVSTJZSA-N -1 3 391.475 3.610 20 0 GHADHM O=C(NCCC1=CCCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738054245 598645551 /nfs/dbraw/zinc/64/55/51/598645551.db2.gz DFXNQSZFMFKWJP-UHFFFAOYSA-N -1 3 390.447 3.674 20 0 GHADHM O=C(NCCC1=CCCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738054245 598645553 /nfs/dbraw/zinc/64/55/53/598645553.db2.gz DFXNQSZFMFKWJP-UHFFFAOYSA-N -1 3 390.447 3.674 20 0 GHADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000736741441 598645598 /nfs/dbraw/zinc/64/55/98/598645598.db2.gz PQBBYWIVVYHZHR-UHFFFAOYSA-N -1 3 394.382 3.599 20 0 GHADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000736741441 598645600 /nfs/dbraw/zinc/64/56/00/598645600.db2.gz PQBBYWIVVYHZHR-UHFFFAOYSA-N -1 3 394.382 3.599 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3cccnc3)c2-c2nnn[n-]2)C1 ZINC000735597405 598646097 /nfs/dbraw/zinc/64/60/97/598646097.db2.gz OFNSHVZJRGBYMF-CYBMUJFWSA-N -1 3 396.520 3.655 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3cccnc3)c2-c2nn[n-]n2)C1 ZINC000735597405 598646099 /nfs/dbraw/zinc/64/60/99/598646099.db2.gz OFNSHVZJRGBYMF-CYBMUJFWSA-N -1 3 396.520 3.655 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)[C@H]1C ZINC000736251968 598648210 /nfs/dbraw/zinc/64/82/10/598648210.db2.gz JMDZPCWMPBYPLP-QWQRMKEZSA-N -1 3 392.463 3.609 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)[C@H]1C ZINC000736251968 598648211 /nfs/dbraw/zinc/64/82/11/598648211.db2.gz JMDZPCWMPBYPLP-QWQRMKEZSA-N -1 3 392.463 3.609 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1cccs1)C1CC1 ZINC000737832708 598649091 /nfs/dbraw/zinc/64/90/91/598649091.db2.gz KJCAFWDBHOUEHB-LJQANCHMSA-N -1 3 397.504 3.745 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1cccs1)C1CC1 ZINC000737832708 598649093 /nfs/dbraw/zinc/64/90/93/598649093.db2.gz KJCAFWDBHOUEHB-LJQANCHMSA-N -1 3 397.504 3.745 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccs1 ZINC000737833618 598649376 /nfs/dbraw/zinc/64/93/76/598649376.db2.gz YFHBVMZEYPWGSY-QGZVFWFLSA-N -1 3 397.504 3.841 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccs1 ZINC000737833618 598649377 /nfs/dbraw/zinc/64/93/77/598649377.db2.gz YFHBVMZEYPWGSY-QGZVFWFLSA-N -1 3 397.504 3.841 20 0 GHADHM CC(C)c1ocnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000735953320 598651168 /nfs/dbraw/zinc/65/11/68/598651168.db2.gz HFNZBEZKTSNNRQ-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)c1ocnc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000735953320 598651169 /nfs/dbraw/zinc/65/11/69/598651169.db2.gz HFNZBEZKTSNNRQ-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000735818269 598651217 /nfs/dbraw/zinc/65/12/17/598651217.db2.gz LBDUPCDFJVVQHI-UHFFFAOYSA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000735818269 598651218 /nfs/dbraw/zinc/65/12/18/598651218.db2.gz LBDUPCDFJVVQHI-UHFFFAOYSA-N -1 3 377.448 3.920 20 0 GHADHM CCCOc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736491552 598651571 /nfs/dbraw/zinc/65/15/71/598651571.db2.gz DLLVENPCJHKGIX-UHFFFAOYSA-N -1 3 395.463 3.843 20 0 GHADHM CCCOc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736491552 598651573 /nfs/dbraw/zinc/65/15/73/598651573.db2.gz DLLVENPCJHKGIX-UHFFFAOYSA-N -1 3 395.463 3.843 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737822914 598651971 /nfs/dbraw/zinc/65/19/71/598651971.db2.gz CYQPVQACPWBJDA-SFHVURJKSA-N -1 3 391.475 3.749 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737822914 598651973 /nfs/dbraw/zinc/65/19/73/598651973.db2.gz CYQPVQACPWBJDA-SFHVURJKSA-N -1 3 391.475 3.749 20 0 GHADHM CN(CCCc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736798346 598653588 /nfs/dbraw/zinc/65/35/88/598653588.db2.gz WKBOTBJCDAPPBB-UHFFFAOYSA-N -1 3 393.491 3.507 20 0 GHADHM CN(CCCc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736798346 598653589 /nfs/dbraw/zinc/65/35/89/598653589.db2.gz WKBOTBJCDAPPBB-UHFFFAOYSA-N -1 3 393.491 3.507 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CCCCC1 ZINC000737833599 598653930 /nfs/dbraw/zinc/65/39/30/598653930.db2.gz XKQMUGIZQOGDRO-FQEVSTJZSA-N -1 3 397.523 3.987 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCCCC1 ZINC000737833599 598653932 /nfs/dbraw/zinc/65/39/32/598653932.db2.gz XKQMUGIZQOGDRO-FQEVSTJZSA-N -1 3 397.523 3.987 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736441346 598657459 /nfs/dbraw/zinc/65/74/59/598657459.db2.gz PYFVCHDYZMFMPG-VQIMIIECSA-N -1 3 385.512 3.891 20 0 GHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736441346 598657461 /nfs/dbraw/zinc/65/74/61/598657461.db2.gz PYFVCHDYZMFMPG-VQIMIIECSA-N -1 3 385.512 3.891 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(COCC2CC2)c1 ZINC000737949631 598657800 /nfs/dbraw/zinc/65/78/00/598657800.db2.gz ZUPIOCWXJIWSDQ-UHFFFAOYSA-N -1 3 395.488 3.524 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(COCC2CC2)c1 ZINC000737949631 598657802 /nfs/dbraw/zinc/65/78/02/598657802.db2.gz ZUPIOCWXJIWSDQ-UHFFFAOYSA-N -1 3 395.488 3.524 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736733217 598661800 /nfs/dbraw/zinc/66/18/00/598661800.db2.gz PVKHJRWTUNYLHK-FLVLSHQESA-N -1 3 387.365 3.642 20 0 GHADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736733217 598661801 /nfs/dbraw/zinc/66/18/01/598661801.db2.gz PVKHJRWTUNYLHK-FLVLSHQESA-N -1 3 387.365 3.642 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000737942665 598666461 /nfs/dbraw/zinc/66/64/61/598666461.db2.gz NKQPLDGBRRIVJI-QGZVFWFLSA-N -1 3 399.907 3.976 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000737942665 598666463 /nfs/dbraw/zinc/66/64/63/598666463.db2.gz NKQPLDGBRRIVJI-QGZVFWFLSA-N -1 3 399.907 3.976 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738383026 598669327 /nfs/dbraw/zinc/66/93/27/598669327.db2.gz MYLOHUCKHZATMA-CQSZACIVSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000738383026 598669329 /nfs/dbraw/zinc/66/93/29/598669329.db2.gz MYLOHUCKHZATMA-CQSZACIVSA-N -1 3 399.760 3.564 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736214697 598670044 /nfs/dbraw/zinc/67/00/44/598670044.db2.gz PLYXPNILOGTOKE-QGZVFWFLSA-N -1 3 397.866 3.512 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736214697 598670046 /nfs/dbraw/zinc/67/00/46/598670046.db2.gz PLYXPNILOGTOKE-QGZVFWFLSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(C(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c(C)n1C1CC1 ZINC000737226472 598697692 /nfs/dbraw/zinc/69/76/92/598697692.db2.gz ALYMOSCOOQWEQF-UHFFFAOYSA-N -1 3 385.468 3.875 20 0 GHADHM Cc1cc(C(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c(C)n1C1CC1 ZINC000737226472 598697694 /nfs/dbraw/zinc/69/76/94/598697694.db2.gz ALYMOSCOOQWEQF-UHFFFAOYSA-N -1 3 385.468 3.875 20 0 GHADHM CCCC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000736437200 598698772 /nfs/dbraw/zinc/69/87/72/598698772.db2.gz HKUIBBALKBSNSU-IBGZPJMESA-N -1 3 394.479 3.606 20 0 GHADHM CCCC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736437200 598698774 /nfs/dbraw/zinc/69/87/74/598698774.db2.gz HKUIBBALKBSNSU-IBGZPJMESA-N -1 3 394.479 3.606 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737948798 598703428 /nfs/dbraw/zinc/70/34/28/598703428.db2.gz YWVBDJGHXUYONH-UHFFFAOYSA-N -1 3 394.431 3.995 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737948798 598703432 /nfs/dbraw/zinc/70/34/32/598703432.db2.gz YWVBDJGHXUYONH-UHFFFAOYSA-N -1 3 394.431 3.995 20 0 GHADHM CC(C)N(Cc1csc(-c2ccccn2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735873655 598726947 /nfs/dbraw/zinc/72/69/47/598726947.db2.gz KAQWINBOUNWJHZ-UHFFFAOYSA-N -1 3 391.504 3.796 20 0 GHADHM O=C(O[C@H]1CCc2ccccc21)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738219987 598735797 /nfs/dbraw/zinc/73/57/97/598735797.db2.gz NSDATZGVDNJDFM-IBGZPJMESA-N -1 3 399.410 3.898 20 0 GHADHM O=C(O[C@H]1CCc2ccccc21)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738219987 598735798 /nfs/dbraw/zinc/73/57/98/598735798.db2.gz NSDATZGVDNJDFM-IBGZPJMESA-N -1 3 399.410 3.898 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccccc1Cl ZINC000736634938 598736229 /nfs/dbraw/zinc/73/62/29/598736229.db2.gz KYBJUFBRMRGAKX-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccccc1Cl ZINC000736634938 598736230 /nfs/dbraw/zinc/73/62/30/598736230.db2.gz KYBJUFBRMRGAKX-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736154322 598739914 /nfs/dbraw/zinc/73/99/14/598739914.db2.gz UCTWFQPGJOPRCC-LAHYYIKRSA-N -1 3 394.822 3.714 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000735921059 598743861 /nfs/dbraw/zinc/74/38/61/598743861.db2.gz HHOUEKLSPZMPBA-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000735921059 598743862 /nfs/dbraw/zinc/74/38/62/598743862.db2.gz HHOUEKLSPZMPBA-AWEZNQCLSA-N -1 3 397.504 3.623 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736184345 598746801 /nfs/dbraw/zinc/74/68/01/598746801.db2.gz ZEWOTZPMUOFTIK-INIZCTEOSA-N -1 3 393.491 3.709 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736184345 598746803 /nfs/dbraw/zinc/74/68/03/598746803.db2.gz ZEWOTZPMUOFTIK-INIZCTEOSA-N -1 3 393.491 3.709 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737799755 598753730 /nfs/dbraw/zinc/75/37/30/598753730.db2.gz WGYQUIIFANIBQM-WTKPLQERSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C\C1CCOCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737799755 598753731 /nfs/dbraw/zinc/75/37/31/598753731.db2.gz WGYQUIIFANIBQM-WTKPLQERSA-N -1 3 391.431 3.580 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736816982 598769929 /nfs/dbraw/zinc/76/99/29/598769929.db2.gz SBTMJHRZCKXNTI-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736816982 598769931 /nfs/dbraw/zinc/76/99/31/598769931.db2.gz SBTMJHRZCKXNTI-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736665259 598771186 /nfs/dbraw/zinc/77/11/86/598771186.db2.gz GKNWSVICZJZGDN-ZDUSSCGKSA-N -1 3 382.493 3.539 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736665259 598771188 /nfs/dbraw/zinc/77/11/88/598771188.db2.gz GKNWSVICZJZGDN-ZDUSSCGKSA-N -1 3 382.493 3.539 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](c4ccccc4)C3)c2c1 ZINC000737645272 598771968 /nfs/dbraw/zinc/77/19/68/598771968.db2.gz VJNPTCUAEVPKQB-CYBMUJFWSA-N -1 3 378.386 3.687 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@@H](c4ccccc4)C3)c2c1 ZINC000737645272 598771969 /nfs/dbraw/zinc/77/19/69/598771969.db2.gz VJNPTCUAEVPKQB-CYBMUJFWSA-N -1 3 378.386 3.687 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000736634855 598791189 /nfs/dbraw/zinc/79/11/89/598791189.db2.gz JTIFIHJOKVIJPQ-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM CCOc1cc2c(cc1OCC)CN(c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000736634855 598791190 /nfs/dbraw/zinc/79/11/90/598791190.db2.gz JTIFIHJOKVIJPQ-UHFFFAOYSA-N -1 3 399.882 3.880 20 0 GHADHM O=C(c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1)N1CCCCC1 ZINC000738257547 598792436 /nfs/dbraw/zinc/79/24/36/598792436.db2.gz HCUOINFHMGCZFM-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM O=C(c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000738257547 598792437 /nfs/dbraw/zinc/79/24/37/598792437.db2.gz HCUOINFHMGCZFM-UHFFFAOYSA-N -1 3 396.882 3.758 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000737059221 598800087 /nfs/dbraw/zinc/80/00/87/598800087.db2.gz SHRXMLGJQBIMAG-SFHVURJKSA-N -1 3 380.452 3.736 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000737059221 598800088 /nfs/dbraw/zinc/80/00/88/598800088.db2.gz SHRXMLGJQBIMAG-SFHVURJKSA-N -1 3 380.452 3.736 20 0 GHADHM CS[C@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737172878 598806235 /nfs/dbraw/zinc/80/62/35/598806235.db2.gz VTMFZYADVNZGLL-GFCCVEGCSA-N -1 3 387.896 3.805 20 0 GHADHM CS[C@H](C)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737172878 598806236 /nfs/dbraw/zinc/80/62/36/598806236.db2.gz VTMFZYADVNZGLL-GFCCVEGCSA-N -1 3 387.896 3.805 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000605497745 598806928 /nfs/dbraw/zinc/80/69/28/598806928.db2.gz NCPDFVAUVHCJDM-OAQYLSRUSA-N -1 3 396.454 3.609 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000605497745 598806930 /nfs/dbraw/zinc/80/69/30/598806930.db2.gz NCPDFVAUVHCJDM-OAQYLSRUSA-N -1 3 396.454 3.609 20 0 GHADHM CCc1cc(Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3OC)cc2)ncn1 ZINC000736678158 598816677 /nfs/dbraw/zinc/81/66/77/598816677.db2.gz VKCPKKWFEZPOAK-UHFFFAOYSA-N -1 3 389.419 3.764 20 0 GHADHM CCc1cc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3OC)cc2)ncn1 ZINC000736678158 598816678 /nfs/dbraw/zinc/81/66/78/598816678.db2.gz VKCPKKWFEZPOAK-UHFFFAOYSA-N -1 3 389.419 3.764 20 0 GHADHM Cc1cccc(F)c1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822308837 599292823 /nfs/dbraw/zinc/29/28/23/599292823.db2.gz JQNYUBJWNCGRKD-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1cccc(F)c1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822308837 599292824 /nfs/dbraw/zinc/29/28/24/599292824.db2.gz JQNYUBJWNCGRKD-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM CCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000821294929 599294758 /nfs/dbraw/zinc/29/47/58/599294758.db2.gz ZTSBDIHOCFVLGM-UHFFFAOYSA-N -1 3 392.341 3.819 20 0 GHADHM CCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000821294929 599294760 /nfs/dbraw/zinc/29/47/60/599294760.db2.gz ZTSBDIHOCFVLGM-UHFFFAOYSA-N -1 3 392.341 3.819 20 0 GHADHM O=C(NCc1ccoc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823266472 599298194 /nfs/dbraw/zinc/29/81/94/599298194.db2.gz UYXNVEIOFSNKNE-UHFFFAOYSA-N -1 3 394.366 3.713 20 0 GHADHM O=C(NCc1ccoc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823266472 599298196 /nfs/dbraw/zinc/29/81/96/599298196.db2.gz UYXNVEIOFSNKNE-UHFFFAOYSA-N -1 3 394.366 3.713 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(c1ccccc1F)C1CCCC1 ZINC000736168594 599302457 /nfs/dbraw/zinc/30/24/57/599302457.db2.gz ITUAPKBLIQNLDD-CQSZACIVSA-N -1 3 395.438 3.749 20 0 GHADHM CN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739002 599305089 /nfs/dbraw/zinc/30/50/89/599305089.db2.gz GSPQGHFHKBUTEU-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739002 599305092 /nfs/dbraw/zinc/30/50/92/599305092.db2.gz GSPQGHFHKBUTEU-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OC(F)F)c(Cl)c1 ZINC000821736170 607369205 /nfs/dbraw/zinc/36/92/05/607369205.db2.gz DTSSDZQKCYOTMR-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OC(F)F)c(Cl)c1 ZINC000821736170 607369206 /nfs/dbraw/zinc/36/92/06/607369206.db2.gz DTSSDZQKCYOTMR-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc(-c2cccc(C)c2)no1 ZINC000821752651 607367894 /nfs/dbraw/zinc/36/78/94/607367894.db2.gz PGPUBWIODFKRSC-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM CCN(C(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509301 599309694 /nfs/dbraw/zinc/30/96/94/599309694.db2.gz UNYZEHAJTBIREM-UHFFFAOYSA-N -1 3 382.474 3.718 20 0 GHADHM CCN(C(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509301 599309696 /nfs/dbraw/zinc/30/96/96/599309696.db2.gz UNYZEHAJTBIREM-UHFFFAOYSA-N -1 3 382.474 3.718 20 0 GHADHM CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504157 599313413 /nfs/dbraw/zinc/31/34/13/599313413.db2.gz AQERAEHQEKWHCG-UHFFFAOYSA-N -1 3 387.443 3.697 20 0 GHADHM CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504157 599313416 /nfs/dbraw/zinc/31/34/16/599313416.db2.gz AQERAEHQEKWHCG-UHFFFAOYSA-N -1 3 387.443 3.697 20 0 GHADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197611 599314140 /nfs/dbraw/zinc/31/41/40/599314140.db2.gz BBWXTVYRCJONDI-SGTLLEGYSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197611 599314142 /nfs/dbraw/zinc/31/41/42/599314142.db2.gz BBWXTVYRCJONDI-SGTLLEGYSA-N -1 3 387.846 3.794 20 0 GHADHM COc1ccc(-c2nc(CS[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)no2)cc1 ZINC000737056032 599326528 /nfs/dbraw/zinc/32/65/28/599326528.db2.gz JWDKBDYLTCZAHT-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2nc(CS[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)no2)cc1 ZINC000737056032 599326531 /nfs/dbraw/zinc/32/65/31/599326531.db2.gz JWDKBDYLTCZAHT-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189567 599327454 /nfs/dbraw/zinc/32/74/54/599327454.db2.gz PUUNOOZGGFMVSF-CABCVRRESA-N -1 3 381.505 3.881 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189567 599327458 /nfs/dbraw/zinc/32/74/58/599327458.db2.gz PUUNOOZGGFMVSF-CABCVRRESA-N -1 3 381.505 3.881 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191912 599331270 /nfs/dbraw/zinc/33/12/70/599331270.db2.gz XSZGVRYMWBVDAR-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191912 599331272 /nfs/dbraw/zinc/33/12/72/599331272.db2.gz XSZGVRYMWBVDAR-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM FC(F)(F)Cc1ccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737627362 599331401 /nfs/dbraw/zinc/33/14/01/599331401.db2.gz QGLRFUQMORJVJS-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000737358057 599333047 /nfs/dbraw/zinc/33/30/47/599333047.db2.gz WWHZPGSWSVOHEV-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000737358057 599333049 /nfs/dbraw/zinc/33/30/49/599333049.db2.gz WWHZPGSWSVOHEV-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Brc1cc(CSc2ccccc2-c2nnn[n-]2)cc2c1OCO2 ZINC000819688374 599343402 /nfs/dbraw/zinc/34/34/02/599343402.db2.gz HVYMNBFTJUAWHN-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM Brc1cc(CSc2ccccc2-c2nn[n-]n2)cc2c1OCO2 ZINC000819688374 599343404 /nfs/dbraw/zinc/34/34/04/599343404.db2.gz HVYMNBFTJUAWHN-UHFFFAOYSA-N -1 3 391.250 3.650 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccccc1SC(F)F ZINC000823070998 599351553 /nfs/dbraw/zinc/35/15/53/599351553.db2.gz WSMWCCCYZKLUGY-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccccc1SC(F)F ZINC000823070998 599351557 /nfs/dbraw/zinc/35/15/57/599351557.db2.gz WSMWCCCYZKLUGY-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820727213 599359970 /nfs/dbraw/zinc/35/99/70/599359970.db2.gz IZPKYHOUFQQQSI-JQWIXIFHSA-N -1 3 378.358 3.851 20 0 GHADHM C[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820727213 599359972 /nfs/dbraw/zinc/35/99/72/599359972.db2.gz IZPKYHOUFQQQSI-JQWIXIFHSA-N -1 3 378.358 3.851 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C)cc1OCC(F)(F)F ZINC000821736180 607371234 /nfs/dbraw/zinc/37/12/34/607371234.db2.gz FIWXPZVYLDLQRS-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C)cc1OCC(F)(F)F ZINC000821736180 607371236 /nfs/dbraw/zinc/37/12/36/607371236.db2.gz FIWXPZVYLDLQRS-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM CCCCC[C@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736440778 599365569 /nfs/dbraw/zinc/36/55/69/599365569.db2.gz HBYBJRVXQPGKSH-SFHVURJKSA-N -1 3 394.475 3.908 20 0 GHADHM CCCCC[C@H](O)CC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736440778 599365571 /nfs/dbraw/zinc/36/55/71/599365571.db2.gz HBYBJRVXQPGKSH-SFHVURJKSA-N -1 3 394.475 3.908 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccc(Cl)cn1 ZINC000738209673 599373301 /nfs/dbraw/zinc/37/33/01/599373301.db2.gz QNQGRLSZHKWLMT-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccc(Cl)cn1 ZINC000738209673 599373304 /nfs/dbraw/zinc/37/33/04/599373304.db2.gz QNQGRLSZHKWLMT-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)O1 ZINC000820691505 599384638 /nfs/dbraw/zinc/38/46/38/599384638.db2.gz YBHMUIISBBQBNE-CJNGLKHVSA-N -1 3 397.504 3.559 20 0 GHADHM c1cn(CCOc2cccc3ccccc32)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823798733 599385570 /nfs/dbraw/zinc/38/55/70/599385570.db2.gz XMYMLWUUSMJPEG-UHFFFAOYSA-N -1 3 382.427 3.962 20 0 GHADHM c1cn(CCOc2cccc3ccccc32)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823798733 599385572 /nfs/dbraw/zinc/38/55/72/599385572.db2.gz XMYMLWUUSMJPEG-UHFFFAOYSA-N -1 3 382.427 3.962 20 0 GHADHM Cc1nnc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000822510317 599387550 /nfs/dbraw/zinc/38/75/50/599387550.db2.gz LPZNRJOISRALTH-SNVBAGLBSA-N -1 3 381.371 3.663 20 0 GHADHM Cc1nnc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000822510317 599387551 /nfs/dbraw/zinc/38/75/51/599387551.db2.gz LPZNRJOISRALTH-SNVBAGLBSA-N -1 3 381.371 3.663 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000821553456 599387621 /nfs/dbraw/zinc/38/76/21/599387621.db2.gz INRZMHRDZWAORL-NSHDSACASA-N -1 3 395.398 3.917 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000821553456 599387625 /nfs/dbraw/zinc/38/76/25/599387625.db2.gz INRZMHRDZWAORL-NSHDSACASA-N -1 3 395.398 3.917 20 0 GHADHM Cc1cc(-c2noc([C@H](C)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822154804 599390733 /nfs/dbraw/zinc/39/07/33/599390733.db2.gz ZUTVFUOEOUPBHT-OLZOCXBDSA-N -1 3 393.426 3.776 20 0 GHADHM Cc1cc(-c2noc([C@H](C)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822154804 599390737 /nfs/dbraw/zinc/39/07/37/599390737.db2.gz ZUTVFUOEOUPBHT-OLZOCXBDSA-N -1 3 393.426 3.776 20 0 GHADHM C[C@H](NCc1csc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820437815 599392693 /nfs/dbraw/zinc/39/26/93/599392693.db2.gz DEEMXXYEEICMIY-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(-c2nc(C)co2)ccc1C ZINC000821731529 607373575 /nfs/dbraw/zinc/37/35/75/607373575.db2.gz DTDNCZLNJQFYAA-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM Brc1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000735369865 599407963 /nfs/dbraw/zinc/40/79/63/599407963.db2.gz ZDNLDTDSPLYWHD-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000735369865 599407964 /nfs/dbraw/zinc/40/79/64/599407964.db2.gz ZDNLDTDSPLYWHD-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM CC1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nnn[n-]3)cn2)CC1 ZINC000736281243 599411267 /nfs/dbraw/zinc/41/12/67/599411267.db2.gz UGFJUUMQUMZCCD-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM CC1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nn[n-]n3)cn2)CC1 ZINC000736281243 599411270 /nfs/dbraw/zinc/41/12/70/599411270.db2.gz UGFJUUMQUMZCCD-UHFFFAOYSA-N -1 3 383.887 3.764 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000821749520 607375775 /nfs/dbraw/zinc/37/57/75/607375775.db2.gz QCOXAHDSLURRMZ-UHFFFAOYSA-N -1 3 398.806 3.523 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000821749520 607375777 /nfs/dbraw/zinc/37/57/77/607375777.db2.gz QCOXAHDSLURRMZ-UHFFFAOYSA-N -1 3 398.806 3.523 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cccc(COC3CCOCC3)c2)c1 ZINC000737570680 599437492 /nfs/dbraw/zinc/43/74/92/599437492.db2.gz KKVQMOAGGGGSOL-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cccc(COC3CCOCC3)c2)c1 ZINC000737570680 599437494 /nfs/dbraw/zinc/43/74/94/599437494.db2.gz KKVQMOAGGGGSOL-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820684535 599444089 /nfs/dbraw/zinc/44/40/89/599444089.db2.gz RACBGMFAUUWJRB-KGLIPLIRSA-N -1 3 396.520 3.925 20 0 GHADHM CCO[C@H](C)c1nc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cs1 ZINC000736612657 599475212 /nfs/dbraw/zinc/47/52/12/599475212.db2.gz BVGBUENWDMWNPS-SECBINFHSA-N -1 3 395.872 3.662 20 0 GHADHM CCO[C@H](C)c1nc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cs1 ZINC000736612657 599475215 /nfs/dbraw/zinc/47/52/15/599475215.db2.gz BVGBUENWDMWNPS-SECBINFHSA-N -1 3 395.872 3.662 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341651 599475589 /nfs/dbraw/zinc/47/55/89/599475589.db2.gz QXZRLMCCROEIET-YVEFUNNKSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341651 599475591 /nfs/dbraw/zinc/47/55/91/599475591.db2.gz QXZRLMCCROEIET-YVEFUNNKSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820668555 599476564 /nfs/dbraw/zinc/47/65/64/599476564.db2.gz URRQTBWCJGUVDW-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820668555 599476566 /nfs/dbraw/zinc/47/65/66/599476566.db2.gz URRQTBWCJGUVDW-TYILLQQXSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820339274 599482200 /nfs/dbraw/zinc/48/22/00/599482200.db2.gz BAPVFXCQTWFLME-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820339274 599482202 /nfs/dbraw/zinc/48/22/02/599482202.db2.gz BAPVFXCQTWFLME-CYBMUJFWSA-N -1 3 392.488 3.984 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356635 599482294 /nfs/dbraw/zinc/48/22/94/599482294.db2.gz WZSRILIENRIYES-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356635 599482296 /nfs/dbraw/zinc/48/22/96/599482296.db2.gz WZSRILIENRIYES-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822356636 599482343 /nfs/dbraw/zinc/48/23/43/599482343.db2.gz WZSRILIENRIYES-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822356636 599482346 /nfs/dbraw/zinc/48/23/46/599482346.db2.gz WZSRILIENRIYES-OXQOHEQNSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348351 599485557 /nfs/dbraw/zinc/48/55/57/599485557.db2.gz BNMPOLGFUCYUQV-UZLBHIALSA-N -1 3 390.491 3.735 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348351 599485560 /nfs/dbraw/zinc/48/55/60/599485560.db2.gz BNMPOLGFUCYUQV-UZLBHIALSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822116065 599490045 /nfs/dbraw/zinc/49/00/45/599490045.db2.gz MBNPYPLDYZWQCF-CQSZACIVSA-N -1 3 396.470 3.701 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822116065 599490048 /nfs/dbraw/zinc/49/00/48/599490048.db2.gz MBNPYPLDYZWQCF-CQSZACIVSA-N -1 3 396.470 3.701 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000737290775 599502343 /nfs/dbraw/zinc/50/23/43/599502343.db2.gz GDIKAZFYTWMXMY-CJNGLKHVSA-N -1 3 380.427 3.724 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000737290775 599502346 /nfs/dbraw/zinc/50/23/46/599502346.db2.gz GDIKAZFYTWMXMY-CJNGLKHVSA-N -1 3 380.427 3.724 20 0 GHADHM COc1cc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)ccc1SC ZINC000821717202 599506401 /nfs/dbraw/zinc/50/64/01/599506401.db2.gz KSYHVORUWOEZHU-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM COc1cc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)ccc1SC ZINC000821717202 599506404 /nfs/dbraw/zinc/50/64/04/599506404.db2.gz KSYHVORUWOEZHU-UHFFFAOYSA-N -1 3 392.488 3.782 20 0 GHADHM COc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1Br ZINC000821821667 599516349 /nfs/dbraw/zinc/51/63/49/599516349.db2.gz QDWPTQZJSOKILW-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1Br ZINC000821821667 599516350 /nfs/dbraw/zinc/51/63/50/599516350.db2.gz QDWPTQZJSOKILW-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384427 599516490 /nfs/dbraw/zinc/51/64/90/599516490.db2.gz DRLVCDCJIXVTIC-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384427 599516493 /nfs/dbraw/zinc/51/64/93/599516493.db2.gz DRLVCDCJIXVTIC-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccc(Cl)c1 ZINC000738382089 599521861 /nfs/dbraw/zinc/52/18/61/599521861.db2.gz KASDVGIRVZLNHL-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@]1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCc2ccccc21 ZINC000738391181 599525697 /nfs/dbraw/zinc/52/56/97/599525697.db2.gz WUOAULUBTUTXJF-SFHVURJKSA-N -1 3 389.381 3.522 20 0 GHADHM C[C@H](NC(=O)CCCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820321677 599527970 /nfs/dbraw/zinc/52/79/70/599527970.db2.gz KWHPMWRCDYAUJM-ZDUSSCGKSA-N -1 3 385.855 3.557 20 0 GHADHM C[C@H](NC(=O)CCCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820321677 599527972 /nfs/dbraw/zinc/52/79/72/599527972.db2.gz KWHPMWRCDYAUJM-ZDUSSCGKSA-N -1 3 385.855 3.557 20 0 GHADHM C[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397328 599529123 /nfs/dbraw/zinc/52/91/23/599529123.db2.gz OGHONNCLKORGTD-OAHLLOKOSA-N -1 3 399.458 3.521 20 0 GHADHM C[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397328 599529126 /nfs/dbraw/zinc/52/91/26/599529126.db2.gz OGHONNCLKORGTD-OAHLLOKOSA-N -1 3 399.458 3.521 20 0 GHADHM Cc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC1CCOCC1 ZINC000737279716 599535071 /nfs/dbraw/zinc/53/50/71/599535071.db2.gz POIAIGSGRSJOAY-UHFFFAOYSA-N -1 3 386.843 3.525 20 0 GHADHM Cc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC1CCOCC1 ZINC000737279716 599535074 /nfs/dbraw/zinc/53/50/74/599535074.db2.gz POIAIGSGRSJOAY-UHFFFAOYSA-N -1 3 386.843 3.525 20 0 GHADHM Cc1cc(C)n([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)C2)n1 ZINC000822197694 599539083 /nfs/dbraw/zinc/53/90/83/599539083.db2.gz LIVSKKLCCQKXNB-CQSZACIVSA-N -1 3 391.401 3.540 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735511942 599541210 /nfs/dbraw/zinc/54/12/10/599541210.db2.gz IKDBUZPPVCZSPT-CYBMUJFWSA-N -1 3 379.445 3.858 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735511942 599541212 /nfs/dbraw/zinc/54/12/12/599541212.db2.gz IKDBUZPPVCZSPT-CYBMUJFWSA-N -1 3 379.445 3.858 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818285 599541308 /nfs/dbraw/zinc/54/13/08/599541308.db2.gz LILLXDMPXNYPHN-OAHLLOKOSA-N -1 3 381.455 3.874 20 0 GHADHM CC(C)CN(C(=O)[C@H](C)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818285 599541309 /nfs/dbraw/zinc/54/13/09/599541309.db2.gz LILLXDMPXNYPHN-OAHLLOKOSA-N -1 3 381.455 3.874 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820684549 599547750 /nfs/dbraw/zinc/54/77/50/599547750.db2.gz RBQWRVOLSGQRLL-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820684549 599547751 /nfs/dbraw/zinc/54/77/51/599547751.db2.gz RBQWRVOLSGQRLL-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)[C@@H]1C ZINC000820708953 599549940 /nfs/dbraw/zinc/54/99/40/599549940.db2.gz ARVIOGXWCVQYJG-CHWSQXEVSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[C@@H]1C ZINC000820708953 599549943 /nfs/dbraw/zinc/54/99/43/599549943.db2.gz ARVIOGXWCVQYJG-CHWSQXEVSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccco2)C1 ZINC000820717891 599550400 /nfs/dbraw/zinc/55/04/00/599550400.db2.gz YGEXLSDDVUPYBM-XJKSGUPXSA-N -1 3 383.477 3.552 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820717891 599550402 /nfs/dbraw/zinc/55/04/02/599550402.db2.gz YGEXLSDDVUPYBM-XJKSGUPXSA-N -1 3 383.477 3.552 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C(C)(C)C)cc1 ZINC000821618119 599568584 /nfs/dbraw/zinc/56/85/84/599568584.db2.gz RCXQKNXNZKIAIP-UHFFFAOYSA-N -1 3 389.463 3.851 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C(C)(C)C)cc1 ZINC000821618119 599568586 /nfs/dbraw/zinc/56/85/86/599568586.db2.gz RCXQKNXNZKIAIP-UHFFFAOYSA-N -1 3 389.463 3.851 20 0 GHADHM O=C(c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000738278467 599574699 /nfs/dbraw/zinc/57/46/99/599574699.db2.gz LEZQNTLOTRRNGZ-BBRMVZONSA-N -1 3 395.850 3.937 20 0 GHADHM c1coc([C@@H]2CCCCCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823816698 599578006 /nfs/dbraw/zinc/57/80/06/599578006.db2.gz WJODITCVPXSXMS-INIZCTEOSA-N -1 3 391.435 3.627 20 0 GHADHM c1coc([C@@H]2CCCCCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000823816698 599578007 /nfs/dbraw/zinc/57/80/07/599578007.db2.gz WJODITCVPXSXMS-INIZCTEOSA-N -1 3 391.435 3.627 20 0 GHADHM CC[C@H](SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736393319 599598983 /nfs/dbraw/zinc/59/89/83/599598983.db2.gz WRTVPWXAKSZGNU-INIZCTEOSA-N -1 3 389.431 3.968 20 0 GHADHM CC[C@H](SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736393319 599598985 /nfs/dbraw/zinc/59/89/85/599598985.db2.gz WRTVPWXAKSZGNU-INIZCTEOSA-N -1 3 389.431 3.968 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113559 599608333 /nfs/dbraw/zinc/60/83/33/599608333.db2.gz PNPLFNWOESFRHH-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113559 599608334 /nfs/dbraw/zinc/60/83/34/599608334.db2.gz PNPLFNWOESFRHH-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CC/C=C/c1ccccc1 ZINC000736036801 599617067 /nfs/dbraw/zinc/61/70/67/599617067.db2.gz IDJBQSNCUONNCX-ZWIJEDICSA-N -1 3 378.432 3.671 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CC/C=C/c1ccccc1 ZINC000736036801 599617069 /nfs/dbraw/zinc/61/70/69/599617069.db2.gz IDJBQSNCUONNCX-ZWIJEDICSA-N -1 3 378.432 3.671 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331344 599622565 /nfs/dbraw/zinc/62/25/65/599622565.db2.gz FQRYTNFNLVLGAO-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1cccc2c(CCC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331344 599622566 /nfs/dbraw/zinc/62/25/66/599622566.db2.gz FQRYTNFNLVLGAO-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000820513129 599628023 /nfs/dbraw/zinc/62/80/23/599628023.db2.gz VJEMXLFHUZTEFS-SNVBAGLBSA-N -1 3 377.326 3.718 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000821389185 599629758 /nfs/dbraw/zinc/62/97/58/599629758.db2.gz IFUKVZBHIYSNHG-BMFZPTHFSA-N -1 3 388.468 3.545 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000821389185 599629759 /nfs/dbraw/zinc/62/97/59/599629759.db2.gz IFUKVZBHIYSNHG-BMFZPTHFSA-N -1 3 388.468 3.545 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000821465102 599630649 /nfs/dbraw/zinc/63/06/49/599630649.db2.gz BFPGSIPNFYXOMJ-OXJNMPFZSA-N -1 3 379.489 3.723 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000821465102 599630650 /nfs/dbraw/zinc/63/06/50/599630650.db2.gz BFPGSIPNFYXOMJ-OXJNMPFZSA-N -1 3 379.489 3.723 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822945635 599632138 /nfs/dbraw/zinc/63/21/38/599632138.db2.gz MGPYWBSRLFRYSZ-GFCCVEGCSA-N -1 3 387.365 3.944 20 0 GHADHM O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822945635 599632139 /nfs/dbraw/zinc/63/21/39/599632139.db2.gz MGPYWBSRLFRYSZ-GFCCVEGCSA-N -1 3 387.365 3.944 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000823303099 599633291 /nfs/dbraw/zinc/63/32/91/599633291.db2.gz DIOLLXYSEUTYFU-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000823303099 599633292 /nfs/dbraw/zinc/63/32/92/599633292.db2.gz DIOLLXYSEUTYFU-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822232068 599633778 /nfs/dbraw/zinc/63/37/78/599633778.db2.gz SDUNLIYZATXWPT-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822232068 599633779 /nfs/dbraw/zinc/63/37/79/599633779.db2.gz SDUNLIYZATXWPT-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821389591 599633844 /nfs/dbraw/zinc/63/38/44/599633844.db2.gz PKCPGMLOPWEQQZ-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821389591 599633845 /nfs/dbraw/zinc/63/38/45/599633845.db2.gz PKCPGMLOPWEQQZ-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM c1ccc2c(c1)CCCCCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823738019 599642212 /nfs/dbraw/zinc/64/22/12/599642212.db2.gz NDWMOQSGHKOPJJ-UHFFFAOYSA-N -1 3 387.447 3.650 20 0 GHADHM c1ccc2c(c1)CCCCCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823738019 599642213 /nfs/dbraw/zinc/64/22/13/599642213.db2.gz NDWMOQSGHKOPJJ-UHFFFAOYSA-N -1 3 387.447 3.650 20 0 GHADHM CN(Cc1nccn1C(F)F)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821608817 599642899 /nfs/dbraw/zinc/64/28/99/599642899.db2.gz WDMAYHITMXUXJJ-UHFFFAOYSA-N -1 3 395.417 3.757 20 0 GHADHM CN(Cc1nccn1C(F)F)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821608817 599642900 /nfs/dbraw/zinc/64/29/00/599642900.db2.gz WDMAYHITMXUXJJ-UHFFFAOYSA-N -1 3 395.417 3.757 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820967170 599648209 /nfs/dbraw/zinc/64/82/09/599648209.db2.gz LERAEDBWAAZVLR-WFASDCNBSA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820967170 599648210 /nfs/dbraw/zinc/64/82/10/599648210.db2.gz LERAEDBWAAZVLR-WFASDCNBSA-N -1 3 397.508 3.566 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2cnccc21 ZINC000820087366 599649109 /nfs/dbraw/zinc/64/91/09/599649109.db2.gz QFHIAEQAWZRYDX-UHFFFAOYSA-N -1 3 386.459 3.713 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2cnccc21 ZINC000820087366 599649110 /nfs/dbraw/zinc/64/91/10/599649110.db2.gz QFHIAEQAWZRYDX-UHFFFAOYSA-N -1 3 386.459 3.713 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820068291 599652566 /nfs/dbraw/zinc/65/25/66/599652566.db2.gz QCUCZWXGPQMKON-OAHLLOKOSA-N -1 3 392.463 3.562 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820068291 599652567 /nfs/dbraw/zinc/65/25/67/599652567.db2.gz QCUCZWXGPQMKON-OAHLLOKOSA-N -1 3 392.463 3.562 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820967609 599656132 /nfs/dbraw/zinc/65/61/32/599656132.db2.gz QTTHDGPWSYUNID-YOEHRIQHSA-N -1 3 377.448 3.920 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967609 599656133 /nfs/dbraw/zinc/65/61/33/599656133.db2.gz QTTHDGPWSYUNID-YOEHRIQHSA-N -1 3 377.448 3.920 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1Cl ZINC000822324095 599656260 /nfs/dbraw/zinc/65/62/60/599656260.db2.gz VDAYKPVZPCYPMT-KRWDZBQOSA-N -1 3 385.855 3.871 20 0 GHADHM Cc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1Cl ZINC000822324095 599656261 /nfs/dbraw/zinc/65/62/61/599656261.db2.gz VDAYKPVZPCYPMT-KRWDZBQOSA-N -1 3 385.855 3.871 20 0 GHADHM CC(C)CCOc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076681 599664449 /nfs/dbraw/zinc/66/44/49/599664449.db2.gz RCOLVMKBIUGVLE-HNNXBMFYSA-N -1 3 394.479 3.731 20 0 GHADHM CC(C)CCOc1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076681 599664450 /nfs/dbraw/zinc/66/44/50/599664450.db2.gz RCOLVMKBIUGVLE-HNNXBMFYSA-N -1 3 394.479 3.731 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823431760 599670080 /nfs/dbraw/zinc/67/00/80/599670080.db2.gz VRYKRFBCQJXXJC-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000823431760 599670081 /nfs/dbraw/zinc/67/00/81/599670081.db2.gz VRYKRFBCQJXXJC-UHFFFAOYSA-N -1 3 389.390 3.788 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000819965472 599670997 /nfs/dbraw/zinc/67/09/97/599670997.db2.gz HUQHJCZASXYCNF-VOTSOKGWSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000819965472 599670998 /nfs/dbraw/zinc/67/09/98/599670998.db2.gz HUQHJCZASXYCNF-VOTSOKGWSA-N -1 3 387.440 3.516 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821153383 599681257 /nfs/dbraw/zinc/68/12/57/599681257.db2.gz AIUCZMLJAGHUDR-ZIAGYGMSSA-N -1 3 382.443 3.860 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821153383 599681258 /nfs/dbraw/zinc/68/12/58/599681258.db2.gz AIUCZMLJAGHUDR-ZIAGYGMSSA-N -1 3 382.443 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000820340738 599682171 /nfs/dbraw/zinc/68/21/71/599682171.db2.gz NDKXHAJCLAJMJN-ZDUSSCGKSA-N -1 3 392.438 3.718 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCC2)c2c1cccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000820340738 599682172 /nfs/dbraw/zinc/68/21/72/599682172.db2.gz NDKXHAJCLAJMJN-ZDUSSCGKSA-N -1 3 392.438 3.718 20 0 GHADHM CO[C@]1(C)C[C@H](n2c(C)csc2=Nc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678386 599689737 /nfs/dbraw/zinc/68/97/37/599689737.db2.gz NCOSDJPPRYLVRH-HNAYVOBHSA-N -1 3 384.509 3.647 20 0 GHADHM CO[C@]1(C)C[C@H](n2c(C)csc2=Nc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678386 599689738 /nfs/dbraw/zinc/68/97/38/599689738.db2.gz NCOSDJPPRYLVRH-HNAYVOBHSA-N -1 3 384.509 3.647 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2ccsc2)n1 ZINC000826252436 607389988 /nfs/dbraw/zinc/38/99/88/607389988.db2.gz CTEWKRQTTYAZHO-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2ccsc2)n1 ZINC000826252436 607389989 /nfs/dbraw/zinc/38/99/89/607389989.db2.gz CTEWKRQTTYAZHO-UHFFFAOYSA-N -1 3 383.458 3.717 20 0 GHADHM CC(C)N(Cc1occc1C(=O)[O-])C[C@H](O)COc1cccc2ccccc21 ZINC000736474296 599814659 /nfs/dbraw/zinc/81/46/59/599814659.db2.gz JPLYNMMHMXMIKX-KRWDZBQOSA-N -1 3 383.444 3.781 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccsc1 ZINC000737086028 599837167 /nfs/dbraw/zinc/83/71/67/599837167.db2.gz SCMIZRMENALEJW-MRXNPFEDSA-N -1 3 379.457 3.790 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1-c1nnn[n-]1 ZINC000820161327 607400315 /nfs/dbraw/zinc/40/03/15/607400315.db2.gz VLENXPKHQZOMRY-HNNXBMFYSA-N -1 3 395.488 3.872 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1-c1nn[n-]n1 ZINC000820161327 607400316 /nfs/dbraw/zinc/40/03/16/607400316.db2.gz VLENXPKHQZOMRY-HNNXBMFYSA-N -1 3 395.488 3.872 20 0 GHADHM Cc1sc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)c(C(=O)[O-])c1C ZINC000738996122 599880994 /nfs/dbraw/zinc/88/09/94/599880994.db2.gz BUOWJJLRSNNRJV-UHFFFAOYSA-N -1 3 393.484 3.798 20 0 GHADHM CS[C@H]1CCCCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821956025 607405685 /nfs/dbraw/zinc/40/56/85/607405685.db2.gz FQTCKMYGGDZFHY-HNNXBMFYSA-N -1 3 393.516 3.891 20 0 GHADHM CS[C@H]1CCCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000821956025 607405687 /nfs/dbraw/zinc/40/56/87/607405687.db2.gz FQTCKMYGGDZFHY-HNNXBMFYSA-N -1 3 393.516 3.891 20 0 GHADHM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822010207 607407227 /nfs/dbraw/zinc/40/72/27/607407227.db2.gz SJGABUNCCGQBIG-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822010207 607407228 /nfs/dbraw/zinc/40/72/28/607407228.db2.gz SJGABUNCCGQBIG-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC(Nc2cccnn2)CC1 ZINC000738713763 599957259 /nfs/dbraw/zinc/95/72/59/599957259.db2.gz LKOVTSSWGTUJAZ-UHFFFAOYSA-N -1 3 386.452 3.605 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)c2)cc1 ZINC000826273670 607415939 /nfs/dbraw/zinc/41/59/39/607415939.db2.gz OVQQCUOSSDHBKQ-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)c2)cc1 ZINC000826273670 607415941 /nfs/dbraw/zinc/41/59/41/607415941.db2.gz OVQQCUOSSDHBKQ-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)N2CCCC2)cc1 ZINC000738561475 600022262 /nfs/dbraw/zinc/02/22/62/600022262.db2.gz OZFNGMQRNCCYBR-OAQYLSRUSA-N -1 3 393.487 3.556 20 0 GHADHM Cc1cscc1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826320969 607414831 /nfs/dbraw/zinc/41/48/31/607414831.db2.gz MFZZKZNGIKVVAZ-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM Cc1cscc1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826320969 607414832 /nfs/dbraw/zinc/41/48/32/607414832.db2.gz MFZZKZNGIKVVAZ-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM COc1cccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821859261 607426377 /nfs/dbraw/zinc/42/63/77/607426377.db2.gz NEOPJBTWJGVOSH-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM COc1cccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821859261 607426378 /nfs/dbraw/zinc/42/63/78/607426378.db2.gz NEOPJBTWJGVOSH-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM C[C@H](C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc2ccccc2c1 ZINC000824038927 607426622 /nfs/dbraw/zinc/42/66/22/607426622.db2.gz BCZWZWDCTVUSKG-HNNXBMFYSA-N -1 3 383.455 3.929 20 0 GHADHM C[C@H](C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2ccccc2c1 ZINC000824038927 607426624 /nfs/dbraw/zinc/42/66/24/607426624.db2.gz BCZWZWDCTVUSKG-HNNXBMFYSA-N -1 3 383.455 3.929 20 0 GHADHM O=C(CCCc1ccc(Cl)cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826406630 607427595 /nfs/dbraw/zinc/42/75/95/607427595.db2.gz GDZZKKHKSBOOBG-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM O=C(CCCc1ccc(Cl)cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826406630 607427596 /nfs/dbraw/zinc/42/75/96/607427596.db2.gz GDZZKKHKSBOOBG-UHFFFAOYSA-N -1 3 381.867 3.648 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000736465380 600219278 /nfs/dbraw/zinc/21/92/78/600219278.db2.gz AWJHZMZVPIGDJX-QFIPXVFZSA-N -1 3 386.467 3.559 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000826250890 607431039 /nfs/dbraw/zinc/43/10/39/607431039.db2.gz XNSCNNDTTIYJBZ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000826250890 607431040 /nfs/dbraw/zinc/43/10/40/607431040.db2.gz XNSCNNDTTIYJBZ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000826249713 607431142 /nfs/dbraw/zinc/43/11/42/607431142.db2.gz QHXOWORBCQONPD-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000826249713 607431143 /nfs/dbraw/zinc/43/11/43/607431143.db2.gz QHXOWORBCQONPD-UHFFFAOYSA-N -1 3 386.253 3.807 20 0 GHADHM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000736200054 600247628 /nfs/dbraw/zinc/24/76/28/600247628.db2.gz MSDZIGHIMWBFHN-GOSISDBHSA-N -1 3 394.515 3.686 20 0 GHADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737369431 600283705 /nfs/dbraw/zinc/28/37/05/600283705.db2.gz HWSHTVXDVRNTKK-UHFFFAOYSA-N -1 3 389.883 3.676 20 0 GHADHM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000739465636 600284120 /nfs/dbraw/zinc/28/41/20/600284120.db2.gz ZEHZNEGZKBLTOX-SFHVURJKSA-N -1 3 387.867 3.997 20 0 GHADHM CN(C(=O)c1cc(Cl)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825348 607435558 /nfs/dbraw/zinc/43/55/58/607435558.db2.gz AJBVQSBSBBVLMO-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cc(Cl)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825348 607435560 /nfs/dbraw/zinc/43/55/60/607435560.db2.gz AJBVQSBSBBVLMO-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)N(C)C)cc1 ZINC000737259607 600347362 /nfs/dbraw/zinc/34/73/62/600347362.db2.gz UTQCXMQAHCKQPQ-HXUWFJFHSA-N -1 3 398.507 3.783 20 0 GHADHM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)ccc1F ZINC000739408501 600391864 /nfs/dbraw/zinc/39/18/64/600391864.db2.gz ZHIAOBHKBXICJC-KRWDZBQOSA-N -1 3 385.439 3.700 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N2CCCC2)cc1 ZINC000738562386 600401198 /nfs/dbraw/zinc/40/11/98/600401198.db2.gz VDIKFVTVEHLPFS-LJQANCHMSA-N -1 3 385.439 3.791 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000825290623 607441656 /nfs/dbraw/zinc/44/16/56/607441656.db2.gz BTECCMHTJYUSJE-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000825290623 607441658 /nfs/dbraw/zinc/44/16/58/607441658.db2.gz BTECCMHTJYUSJE-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1 ZINC000738508822 600426905 /nfs/dbraw/zinc/42/69/05/600426905.db2.gz AQNXGOASIPUXCT-FQEVSTJZSA-N -1 3 378.403 3.994 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000738761278 600434100 /nfs/dbraw/zinc/43/41/00/600434100.db2.gz RVLLRAAAKYAHMJ-SJLPKXTDSA-N -1 3 381.476 3.579 20 0 GHADHM Cc1oc(CN(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1C(=O)[O-] ZINC000738966654 600566583 /nfs/dbraw/zinc/56/65/83/600566583.db2.gz ARDLGRBOHVUIPF-FQEVSTJZSA-N -1 3 399.491 3.655 20 0 GHADHM O=C([O-])[C@@H](NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000833165010 600754364 /nfs/dbraw/zinc/75/43/64/600754364.db2.gz FQZQYDFGLWGFLD-ZDUSSCGKSA-N -1 3 392.736 3.687 20 0 GHADHM Cc1cc(C)n(C[C@@H]2CCCCN2CCOc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000832880122 600827358 /nfs/dbraw/zinc/82/73/58/600827358.db2.gz COVRCXBJLCAEEU-KRWDZBQOSA-N -1 3 391.899 3.785 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826183280 607471116 /nfs/dbraw/zinc/47/11/16/607471116.db2.gz KHMWFJXQOJFNDM-QGZVFWFLSA-N -1 3 390.447 3.744 20 0 GHADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1OCC(F)(F)F ZINC000821835281 607475816 /nfs/dbraw/zinc/47/58/16/607475816.db2.gz GYQPWCRLFMFUAS-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1OCC(F)(F)F ZINC000821835281 607475817 /nfs/dbraw/zinc/47/58/17/607475817.db2.gz GYQPWCRLFMFUAS-UHFFFAOYSA-N -1 3 397.332 3.568 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828277001 601052734 /nfs/dbraw/zinc/05/27/34/601052734.db2.gz HXGUUKPFDFKPAF-KRWDZBQOSA-N -1 3 396.491 3.583 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819939961 607488501 /nfs/dbraw/zinc/48/85/01/607488501.db2.gz MAVAVLSMGPXDSP-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819939961 607488503 /nfs/dbraw/zinc/48/85/03/607488503.db2.gz MAVAVLSMGPXDSP-UHFFFAOYSA-N -1 3 398.442 3.643 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000826053133 601202717 /nfs/dbraw/zinc/20/27/17/601202717.db2.gz IKSKKPSHYVAXNN-DIFFPNOSSA-N -1 3 381.259 3.984 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000826183461 607513877 /nfs/dbraw/zinc/51/38/77/607513877.db2.gz PUQLCYFJHKIHTG-INIZCTEOSA-N -1 3 392.488 3.822 20 0 GHADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2ccc(Br)s2)no1 ZINC000828803978 601634125 /nfs/dbraw/zinc/63/41/25/601634125.db2.gz FQAILBYKEXEEGH-UHFFFAOYSA-N -1 3 388.287 3.684 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000826051062 601651037 /nfs/dbraw/zinc/65/10/37/601651037.db2.gz ACKGPUWJJJVVIB-GTNSWQLSSA-N -1 3 381.259 3.984 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000826055419 601651343 /nfs/dbraw/zinc/65/13/43/601651343.db2.gz ZZZIIZDFCFKMOX-DYESRHJHSA-N -1 3 380.488 3.864 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044419 601656478 /nfs/dbraw/zinc/65/64/78/601656478.db2.gz GLWMZUXSKRMFRG-MDOVXXIYSA-N -1 3 388.895 3.911 20 0 GHADHM Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)c1 ZINC000832926398 601874656 /nfs/dbraw/zinc/87/46/56/601874656.db2.gz PEJCIYLQPYCUAW-SFHVURJKSA-N -1 3 389.521 3.530 20 0 GHADHM CN(Cc1cc2ccccc2[nH]c1=O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830811161 601899237 /nfs/dbraw/zinc/89/92/37/601899237.db2.gz PNGHIBGURAUFSS-QGZVFWFLSA-N -1 3 376.334 3.615 20 0 GHADHM Clc1cccc([C@@H](NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)c1 ZINC000826353123 607549696 /nfs/dbraw/zinc/54/96/96/607549696.db2.gz CAWBLQOXOPNFGM-IBGZPJMESA-N -1 3 376.851 3.794 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2cc(OC)c(OC)cc2C)C(=O)[O-])c1 ZINC000832049031 602166791 /nfs/dbraw/zinc/16/67/91/602166791.db2.gz DIBYGJXUVVMUTE-XCLFUZPHSA-N -1 3 389.448 3.506 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830608589 602380195 /nfs/dbraw/zinc/38/01/95/602380195.db2.gz DYEHBWXDEMLJJW-UHFFFAOYSA-N -1 3 393.846 3.773 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1CCC(NC(=O)[O-])CC1 ZINC000740245984 603090795 /nfs/dbraw/zinc/09/07/95/603090795.db2.gz ISWKMRDYYOHFIC-UHFFFAOYSA-N -1 3 380.851 3.642 20 0 GHADHM O=C(Nc1cccc(O)c1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826457134 607645283 /nfs/dbraw/zinc/64/52/83/607645283.db2.gz NJKGIEGNPNBFRX-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Nc1cccc(O)c1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826457134 607645285 /nfs/dbraw/zinc/64/52/85/607645285.db2.gz NJKGIEGNPNBFRX-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000827975447 603734643 /nfs/dbraw/zinc/73/46/43/603734643.db2.gz LJMOQDKYBOJCHU-FUHWJXTLSA-N -1 3 391.537 3.815 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000826247352 607653045 /nfs/dbraw/zinc/65/30/45/607653045.db2.gz ADWVRHARYWMQNF-OAHLLOKOSA-N -1 3 385.880 3.795 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000826247352 607653046 /nfs/dbraw/zinc/65/30/46/607653046.db2.gz ADWVRHARYWMQNF-OAHLLOKOSA-N -1 3 385.880 3.795 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000826243576 607649618 /nfs/dbraw/zinc/64/96/18/607649618.db2.gz NGTKYPYFJIQDAN-LBPRGKRZSA-N -1 3 378.461 3.618 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000826243576 607649620 /nfs/dbraw/zinc/64/96/20/607649620.db2.gz NGTKYPYFJIQDAN-LBPRGKRZSA-N -1 3 378.461 3.618 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000826251428 607667404 /nfs/dbraw/zinc/66/74/04/607667404.db2.gz PHCCQJNYGRJNGF-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000826251428 607667407 /nfs/dbraw/zinc/66/74/07/607667407.db2.gz PHCCQJNYGRJNGF-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000826250366 607667479 /nfs/dbraw/zinc/66/74/79/607667479.db2.gz XNSPTBCRXKVMLW-UHFFFAOYSA-N -1 3 390.369 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000826250366 607667482 /nfs/dbraw/zinc/66/74/82/607667482.db2.gz XNSPTBCRXKVMLW-UHFFFAOYSA-N -1 3 390.369 3.512 20 0 GHADHM Cc1ccsc1CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826316487 607676085 /nfs/dbraw/zinc/67/60/85/607676085.db2.gz PRJWGTAIDPREEQ-UHFFFAOYSA-N -1 3 383.521 3.997 20 0 GHADHM Cc1ccsc1CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826316487 607676087 /nfs/dbraw/zinc/67/60/87/607676087.db2.gz PRJWGTAIDPREEQ-UHFFFAOYSA-N -1 3 383.521 3.997 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000826251580 607679160 /nfs/dbraw/zinc/67/91/60/607679160.db2.gz UTCNOBGGUVPHAX-UHFFFAOYSA-N -1 3 392.463 3.782 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000826251580 607679161 /nfs/dbraw/zinc/67/91/61/607679161.db2.gz UTCNOBGGUVPHAX-UHFFFAOYSA-N -1 3 392.463 3.782 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000826250460 607680780 /nfs/dbraw/zinc/68/07/80/607680780.db2.gz BWYUVVFZAGZIRO-UHFFFAOYSA-N -1 3 383.411 3.658 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000826250460 607680782 /nfs/dbraw/zinc/68/07/82/607680782.db2.gz BWYUVVFZAGZIRO-UHFFFAOYSA-N -1 3 383.411 3.658 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000826218705 607686168 /nfs/dbraw/zinc/68/61/68/607686168.db2.gz JAOZMCQOWDCBIX-NRFANRHFSA-N -1 3 399.454 3.703 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000826218705 607686170 /nfs/dbraw/zinc/68/61/70/607686170.db2.gz JAOZMCQOWDCBIX-NRFANRHFSA-N -1 3 399.454 3.703 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000826246640 607687974 /nfs/dbraw/zinc/68/79/74/607687974.db2.gz IHUXNJPEVOILHI-LBPRGKRZSA-N -1 3 389.381 3.555 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000826246640 607687975 /nfs/dbraw/zinc/68/79/75/607687975.db2.gz IHUXNJPEVOILHI-LBPRGKRZSA-N -1 3 389.381 3.555 20 0 GHADHM C[C@@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000825484265 604379358 /nfs/dbraw/zinc/37/93/58/604379358.db2.gz GIFUBQAYIDYXIX-ACJLOTCBSA-N -1 3 385.855 3.580 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(c1cccs1)c1cccs1 ZINC000826247166 607693931 /nfs/dbraw/zinc/69/39/31/607693931.db2.gz VUUIMQACGHFPES-UHFFFAOYSA-N -1 3 381.486 3.818 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(c1cccs1)c1cccs1 ZINC000826247166 607693933 /nfs/dbraw/zinc/69/39/33/607693933.db2.gz VUUIMQACGHFPES-UHFFFAOYSA-N -1 3 381.486 3.818 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(SCC)cc1 ZINC000825318966 607694995 /nfs/dbraw/zinc/69/49/95/607694995.db2.gz UYUDYUKSEJBRIU-UHFFFAOYSA-N -1 3 395.532 3.960 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(SCC)cc1 ZINC000825318966 607694996 /nfs/dbraw/zinc/69/49/96/607694996.db2.gz UYUDYUKSEJBRIU-UHFFFAOYSA-N -1 3 395.532 3.960 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826285075 607697128 /nfs/dbraw/zinc/69/71/28/607697128.db2.gz OVJXPBQHIWGWHO-WOJBJXKFSA-N -1 3 375.476 3.892 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826285075 607697129 /nfs/dbraw/zinc/69/71/29/607697129.db2.gz OVJXPBQHIWGWHO-WOJBJXKFSA-N -1 3 375.476 3.892 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000825620467 607705380 /nfs/dbraw/zinc/70/53/80/607705380.db2.gz BLWNAKDRMWDIRI-CQSZACIVSA-N -1 3 395.463 3.796 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000825620467 607705381 /nfs/dbraw/zinc/70/53/81/607705381.db2.gz BLWNAKDRMWDIRI-CQSZACIVSA-N -1 3 395.463 3.796 20 0 GHADHM Cc1nc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c(C)s1 ZINC000826323484 607708589 /nfs/dbraw/zinc/70/85/89/607708589.db2.gz GHBMPAGLDFIOEP-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM CN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000827805604 604860008 /nfs/dbraw/zinc/86/00/08/604860008.db2.gz BDDBWFSQIWZCAD-MRXNPFEDSA-N -1 3 386.427 3.654 20 0 GHADHM CC(C)(C)[C@H](NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccs1 ZINC000833422513 604948298 /nfs/dbraw/zinc/94/82/98/604948298.db2.gz FHDAQAAZMSCMOL-WMLDXEAASA-N -1 3 380.554 3.774 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457224 607736187 /nfs/dbraw/zinc/73/61/87/607736187.db2.gz RTGGJMCHEKBKLM-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457224 607736188 /nfs/dbraw/zinc/73/61/88/607736188.db2.gz RTGGJMCHEKBKLM-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000833414049 605180373 /nfs/dbraw/zinc/18/03/73/605180373.db2.gz PRDXKKVTBSQYDD-SFTDATJTSA-N -1 3 380.488 3.696 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826226373 607761994 /nfs/dbraw/zinc/76/19/94/607761994.db2.gz YIQQSFHKRDTBRS-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826226373 607761995 /nfs/dbraw/zinc/76/19/95/607761995.db2.gz YIQQSFHKRDTBRS-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826296855 607769736 /nfs/dbraw/zinc/76/97/36/607769736.db2.gz LXADWPFMWGIFDT-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826296855 607769737 /nfs/dbraw/zinc/76/97/37/607769737.db2.gz LXADWPFMWGIFDT-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1coc2ccccc12 ZINC000826460201 607770947 /nfs/dbraw/zinc/77/09/47/607770947.db2.gz RBORPJPWIOZHRW-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1coc2ccccc12 ZINC000826460201 607770948 /nfs/dbraw/zinc/77/09/48/607770948.db2.gz RBORPJPWIOZHRW-UHFFFAOYSA-N -1 3 388.412 3.989 20 0 GHADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc21 ZINC000834157189 605802357 /nfs/dbraw/zinc/80/23/57/605802357.db2.gz GWDZCDXVQNZXLU-NHCUHLMSSA-N -1 3 393.487 3.856 20 0 GHADHM CC[C@@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820987742 606030781 /nfs/dbraw/zinc/03/07/81/606030781.db2.gz BEPWJOGJPAKVNV-NQIIRXRSSA-N -1 3 389.503 3.842 20 0 GHADHM CC[C@@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820987742 606030788 /nfs/dbraw/zinc/03/07/88/606030788.db2.gz BEPWJOGJPAKVNV-NQIIRXRSSA-N -1 3 389.503 3.842 20 0 GHADHM c1csc(-c2nc(CNc3nc4ccccc4cc3-c3nnn[n-]3)co2)c1 ZINC000823815960 606033309 /nfs/dbraw/zinc/03/33/09/606033309.db2.gz MCKATSZFMJZXBZ-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM c1csc(-c2nc(CNc3nc4ccccc4cc3-c3nn[n-]n3)co2)c1 ZINC000823815960 606033312 /nfs/dbraw/zinc/03/33/12/606033312.db2.gz MCKATSZFMJZXBZ-UHFFFAOYSA-N -1 3 375.417 3.744 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000822224959 606051172 /nfs/dbraw/zinc/05/11/72/606051172.db2.gz HNBAFJRJEBLACG-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM Cc1ccc(C(=O)C2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000822224959 606051176 /nfs/dbraw/zinc/05/11/76/606051176.db2.gz HNBAFJRJEBLACG-UHFFFAOYSA-N -1 3 398.470 3.823 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1cccnc1 ZINC000819877053 606052200 /nfs/dbraw/zinc/05/22/00/606052200.db2.gz NSMUKXCUTOTIGO-LBPRGKRZSA-N -1 3 382.493 3.724 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1cccnc1 ZINC000819877053 606052205 /nfs/dbraw/zinc/05/22/05/606052205.db2.gz NSMUKXCUTOTIGO-LBPRGKRZSA-N -1 3 382.493 3.724 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820989478 606053705 /nfs/dbraw/zinc/05/37/05/606053705.db2.gz UIPFIRRHSRCZGL-FXAWDEMLSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820989478 606053711 /nfs/dbraw/zinc/05/37/11/606053711.db2.gz UIPFIRRHSRCZGL-FXAWDEMLSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1cc(N[C@@H]2CCc3c2cccc3O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209487 606061562 /nfs/dbraw/zinc/06/15/62/606061562.db2.gz LBROLZTXNBKDBR-OAHLLOKOSA-N -1 3 397.442 3.781 20 0 GHADHM Cc1cc(N[C@@H]2CCc3c2cccc3O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209487 606061566 /nfs/dbraw/zinc/06/15/66/606061566.db2.gz LBROLZTXNBKDBR-OAHLLOKOSA-N -1 3 397.442 3.781 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C(C)(C)C1 ZINC000820744249 606114872 /nfs/dbraw/zinc/11/48/72/606114872.db2.gz XKWWFYWCZBHDAC-ZDUSSCGKSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C(C)(C)C1 ZINC000820744249 606114874 /nfs/dbraw/zinc/11/48/74/606114874.db2.gz XKWWFYWCZBHDAC-ZDUSSCGKSA-N -1 3 393.451 3.706 20 0 GHADHM Cc1[nH]ccc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822010313 606117076 /nfs/dbraw/zinc/11/70/76/606117076.db2.gz XOZOYFOYVMIOBE-UHFFFAOYSA-N -1 3 378.367 3.687 20 0 GHADHM Cc1[nH]ccc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822010313 606117078 /nfs/dbraw/zinc/11/70/78/606117078.db2.gz XOZOYFOYVMIOBE-UHFFFAOYSA-N -1 3 378.367 3.687 20 0 GHADHM O=C(N[C@H]1CCCc2[nH]ccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823150870 606119401 /nfs/dbraw/zinc/11/94/01/606119401.db2.gz VAOOWDLYVFNMIP-FQEVSTJZSA-N -1 3 399.458 3.746 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000820876068 606121516 /nfs/dbraw/zinc/12/15/16/606121516.db2.gz LCFJDQYCRQBSFA-NSHDSACASA-N -1 3 383.477 3.847 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000820876068 606121518 /nfs/dbraw/zinc/12/15/18/606121518.db2.gz LCFJDQYCRQBSFA-NSHDSACASA-N -1 3 383.477 3.847 20 0 GHADHM COc1csc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000821911527 606122364 /nfs/dbraw/zinc/12/23/64/606122364.db2.gz WTBWKRZIRZZTBS-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM COc1csc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000821911527 606122367 /nfs/dbraw/zinc/12/23/67/606122367.db2.gz WTBWKRZIRZZTBS-UHFFFAOYSA-N -1 3 393.428 3.981 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822280023 606122579 /nfs/dbraw/zinc/12/25/79/606122579.db2.gz HRKVCKMRVMNFDO-UHFFFAOYSA-N -1 3 384.443 3.531 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822280023 606122580 /nfs/dbraw/zinc/12/25/80/606122580.db2.gz HRKVCKMRVMNFDO-UHFFFAOYSA-N -1 3 384.443 3.531 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822027155 606150954 /nfs/dbraw/zinc/15/09/54/606150954.db2.gz DRYXGQMPWLSJLY-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822027155 606150955 /nfs/dbraw/zinc/15/09/55/606150955.db2.gz DRYXGQMPWLSJLY-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562605 606155850 /nfs/dbraw/zinc/15/58/50/606155850.db2.gz HPBYQKWLUPJENH-YBOJIHHZSA-N -1 3 396.394 3.775 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562605 606155851 /nfs/dbraw/zinc/15/58/51/606155851.db2.gz HPBYQKWLUPJENH-YBOJIHHZSA-N -1 3 396.394 3.775 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1ccc(Oc2nccs2)cc1 ZINC000822935405 606182256 /nfs/dbraw/zinc/18/22/56/606182256.db2.gz JVMBIPORZFMDHU-BJMVGYQFSA-N -1 3 391.412 3.734 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1ccc(Oc2nccs2)cc1 ZINC000822935405 606182257 /nfs/dbraw/zinc/18/22/57/606182257.db2.gz JVMBIPORZFMDHU-BJMVGYQFSA-N -1 3 391.412 3.734 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000822655647 606214407 /nfs/dbraw/zinc/21/44/07/606214407.db2.gz RFENECAJIXAUID-UHFFFAOYSA-N -1 3 390.472 3.750 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000822655647 606214409 /nfs/dbraw/zinc/21/44/09/606214409.db2.gz RFENECAJIXAUID-UHFFFAOYSA-N -1 3 390.472 3.750 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000822194077 606215134 /nfs/dbraw/zinc/21/51/34/606215134.db2.gz HSZIAQMSEILIOK-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000822194077 606215135 /nfs/dbraw/zinc/21/51/35/606215135.db2.gz HSZIAQMSEILIOK-UHFFFAOYSA-N -1 3 384.871 3.520 20 0 GHADHM CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821427682 606218239 /nfs/dbraw/zinc/21/82/39/606218239.db2.gz YFOXUPSBMJXTFC-CYBMUJFWSA-N -1 3 394.479 3.537 20 0 GHADHM CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821427682 606218241 /nfs/dbraw/zinc/21/82/41/606218241.db2.gz YFOXUPSBMJXTFC-CYBMUJFWSA-N -1 3 394.479 3.537 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000822211972 606245602 /nfs/dbraw/zinc/24/56/02/606245602.db2.gz WFEOYJWFENSEFG-OALUTQOASA-N -1 3 389.459 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000822211972 606245603 /nfs/dbraw/zinc/24/56/03/606245603.db2.gz WFEOYJWFENSEFG-OALUTQOASA-N -1 3 389.459 3.739 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822958858 606270641 /nfs/dbraw/zinc/27/06/41/606270641.db2.gz KHVPUGNVTDFIHP-UHFFFAOYSA-N -1 3 391.406 3.957 20 0 GHADHM O=C(CCCOc1cccc2ccccc21)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822958858 606270643 /nfs/dbraw/zinc/27/06/43/606270643.db2.gz KHVPUGNVTDFIHP-UHFFFAOYSA-N -1 3 391.406 3.957 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820643539 606280248 /nfs/dbraw/zinc/28/02/48/606280248.db2.gz WXUALEWNRGQVPM-BEFAXECRSA-N -1 3 393.516 3.505 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820643539 606280250 /nfs/dbraw/zinc/28/02/50/606280250.db2.gz WXUALEWNRGQVPM-BEFAXECRSA-N -1 3 393.516 3.505 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1csc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000821641118 606304519 /nfs/dbraw/zinc/30/45/19/606304519.db2.gz WMLWCFUGHVKENR-KPZWWZAWSA-N -1 3 393.472 3.646 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1csc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000821641118 606304520 /nfs/dbraw/zinc/30/45/20/606304520.db2.gz WMLWCFUGHVKENR-KPZWWZAWSA-N -1 3 393.472 3.646 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000822978791 606311546 /nfs/dbraw/zinc/31/15/46/606311546.db2.gz RCNOKGXKUYCQKV-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000822978791 606311547 /nfs/dbraw/zinc/31/15/47/606311547.db2.gz RCNOKGXKUYCQKV-UHFFFAOYSA-N -1 3 381.411 3.508 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1cccc(-c2nnn[n-]2)c1 ZINC000819845888 606326540 /nfs/dbraw/zinc/32/65/40/606326540.db2.gz XSMUWKJGWMTDQM-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM CC(=O)c1ccccc1NC(=O)CCCSc1cccc(-c2nn[n-]n2)c1 ZINC000819845888 606326541 /nfs/dbraw/zinc/32/65/41/606326541.db2.gz XSMUWKJGWMTDQM-UHFFFAOYSA-N -1 3 381.461 3.580 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535627 606343418 /nfs/dbraw/zinc/34/34/18/606343418.db2.gz YRPSTJYRZRSFAK-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535627 606343419 /nfs/dbraw/zinc/34/34/19/606343419.db2.gz YRPSTJYRZRSFAK-LLVKDONJSA-N -1 3 393.378 3.887 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000820831664 606349900 /nfs/dbraw/zinc/34/99/00/606349900.db2.gz ANSVOZOTJWNRIW-ZRUQZJFASA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000820831664 606349901 /nfs/dbraw/zinc/34/99/01/606349901.db2.gz ANSVOZOTJWNRIW-ZRUQZJFASA-N -1 3 394.431 3.592 20 0 GHADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494381 606355845 /nfs/dbraw/zinc/35/58/45/606355845.db2.gz ACNLDNOIZCAKLX-LLVKDONJSA-N -1 3 390.802 3.733 20 0 GHADHM C[C@@H](OC(=O)CCOc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494381 606355847 /nfs/dbraw/zinc/35/58/47/606355847.db2.gz ACNLDNOIZCAKLX-LLVKDONJSA-N -1 3 390.802 3.733 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822210570 606357209 /nfs/dbraw/zinc/35/72/09/606357209.db2.gz IFWXFZYNJGHZDX-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822210570 606357211 /nfs/dbraw/zinc/35/72/11/606357211.db2.gz IFWXFZYNJGHZDX-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)cc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508088 606359157 /nfs/dbraw/zinc/35/91/57/606359157.db2.gz MDPNTYSZAIQEDM-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)cc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508088 606359158 /nfs/dbraw/zinc/35/91/58/606359158.db2.gz MDPNTYSZAIQEDM-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822361741 606363294 /nfs/dbraw/zinc/36/32/94/606363294.db2.gz IJUONNDNPLUIKF-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822361741 606363296 /nfs/dbraw/zinc/36/32/96/606363296.db2.gz IJUONNDNPLUIKF-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379347 606382091 /nfs/dbraw/zinc/38/20/91/606382091.db2.gz BDMGMYYCICFOFN-GFCCVEGCSA-N -1 3 396.426 3.820 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379347 606382093 /nfs/dbraw/zinc/38/20/93/606382093.db2.gz BDMGMYYCICFOFN-GFCCVEGCSA-N -1 3 396.426 3.820 20 0 GHADHM Cc1c([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000822020830 606401021 /nfs/dbraw/zinc/40/10/21/606401021.db2.gz KKULIOOETFQKFL-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000822020830 606401022 /nfs/dbraw/zinc/40/10/22/606401022.db2.gz KKULIOOETFQKFL-NSHDSACASA-N -1 3 381.390 3.812 20 0 GHADHM c1ccc(OCCCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000823791325 606405088 /nfs/dbraw/zinc/40/50/88/606405088.db2.gz BJGKDISLXWCXNV-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823358866 606439346 /nfs/dbraw/zinc/43/93/46/606439346.db2.gz GQHZHGPLPRZVEM-UHFFFAOYSA-N -1 3 386.415 3.717 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823358866 606439348 /nfs/dbraw/zinc/43/93/48/606439348.db2.gz GQHZHGPLPRZVEM-UHFFFAOYSA-N -1 3 386.415 3.717 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000821104423 606443844 /nfs/dbraw/zinc/44/38/44/606443844.db2.gz CMYNTQMRPFLEQK-HNNXBMFYSA-N -1 3 396.470 3.997 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000821104423 606443845 /nfs/dbraw/zinc/44/38/45/606443845.db2.gz CMYNTQMRPFLEQK-HNNXBMFYSA-N -1 3 396.470 3.997 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820650592 606446005 /nfs/dbraw/zinc/44/60/05/606446005.db2.gz VXZKDZXOZVYSDE-HOTGVXAUSA-N -1 3 390.491 3.597 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820650592 606446007 /nfs/dbraw/zinc/44/60/07/606446007.db2.gz VXZKDZXOZVYSDE-HOTGVXAUSA-N -1 3 390.491 3.597 20 0 GHADHM Cc1cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822192025 606450418 /nfs/dbraw/zinc/45/04/18/606450418.db2.gz XACKVROOFBTIDD-HNNXBMFYSA-N -1 3 397.454 3.741 20 0 GHADHM Cc1cc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822192025 606450419 /nfs/dbraw/zinc/45/04/19/606450419.db2.gz XACKVROOFBTIDD-HNNXBMFYSA-N -1 3 397.454 3.741 20 0 GHADHM C[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512867 606464305 /nfs/dbraw/zinc/46/43/05/606464305.db2.gz ONYOIEKFBMGGAT-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM C[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512867 606464307 /nfs/dbraw/zinc/46/43/07/606464307.db2.gz ONYOIEKFBMGGAT-NSHDSACASA-N -1 3 379.807 3.986 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000821476507 606478226 /nfs/dbraw/zinc/47/82/26/606478226.db2.gz OUJOBJQVOJQJGF-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000821476507 606478228 /nfs/dbraw/zinc/47/82/28/606478228.db2.gz OUJOBJQVOJQJGF-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cc1ccccc1 ZINC000821835603 606486008 /nfs/dbraw/zinc/48/60/08/606486008.db2.gz NYXJYSQQVOSWPD-UHFFFAOYSA-N -1 3 391.456 3.780 20 0 GHADHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cc1ccccc1 ZINC000821835603 606486009 /nfs/dbraw/zinc/48/60/09/606486009.db2.gz NYXJYSQQVOSWPD-UHFFFAOYSA-N -1 3 391.456 3.780 20 0 GHADHM COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1OC1CCCC1 ZINC000821835715 606491312 /nfs/dbraw/zinc/49/13/12/606491312.db2.gz PZWAMXGVZFLGGQ-UHFFFAOYSA-N -1 3 385.449 3.511 20 0 GHADHM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1OC1CCCC1 ZINC000821835715 606491313 /nfs/dbraw/zinc/49/13/13/606491313.db2.gz PZWAMXGVZFLGGQ-UHFFFAOYSA-N -1 3 385.449 3.511 20 0 GHADHM CC(C)COc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000820102747 606492038 /nfs/dbraw/zinc/49/20/38/606492038.db2.gz JAKCMJLSINZMAH-UHFFFAOYSA-N -1 3 377.857 3.869 20 0 GHADHM CC(C)COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000820102747 606492039 /nfs/dbraw/zinc/49/20/39/606492039.db2.gz JAKCMJLSINZMAH-UHFFFAOYSA-N -1 3 377.857 3.869 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C2SCCS2)c1 ZINC000823108346 606497859 /nfs/dbraw/zinc/49/78/59/606497859.db2.gz MBZZSWMHLLCXCI-UHFFFAOYSA-N -1 3 383.502 3.527 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C2SCCS2)c1 ZINC000823108346 606497861 /nfs/dbraw/zinc/49/78/61/606497861.db2.gz MBZZSWMHLLCXCI-UHFFFAOYSA-N -1 3 383.502 3.527 20 0 GHADHM O=C(Nc1ccccc1COc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823372628 606498575 /nfs/dbraw/zinc/49/85/75/606498575.db2.gz IDEZLDYAIJBOJD-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccccc1COc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823372628 606498577 /nfs/dbraw/zinc/49/85/77/606498577.db2.gz IDEZLDYAIJBOJD-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000823472256 606510012 /nfs/dbraw/zinc/51/00/12/606510012.db2.gz GAHULUWCXYEFOY-LJQANCHMSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000823472256 606510014 /nfs/dbraw/zinc/51/00/14/606510014.db2.gz GAHULUWCXYEFOY-LJQANCHMSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000823093133 606512182 /nfs/dbraw/zinc/51/21/82/606512182.db2.gz VHXKFSPUHLIULD-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000823093133 606512183 /nfs/dbraw/zinc/51/21/83/606512183.db2.gz VHXKFSPUHLIULD-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820564303 606526939 /nfs/dbraw/zinc/52/69/39/606526939.db2.gz ZIRMMRBSOQTVLX-MNOVXSKESA-N -1 3 375.885 3.846 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820564303 606526941 /nfs/dbraw/zinc/52/69/41/606526941.db2.gz ZIRMMRBSOQTVLX-MNOVXSKESA-N -1 3 375.885 3.846 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc(C(F)F)c1 ZINC000823422165 606560343 /nfs/dbraw/zinc/56/03/43/606560343.db2.gz PCIGYFRFBSTFEY-UHFFFAOYSA-N -1 3 396.300 3.763 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc(C(F)F)c1 ZINC000823422165 606560344 /nfs/dbraw/zinc/56/03/44/606560344.db2.gz PCIGYFRFBSTFEY-UHFFFAOYSA-N -1 3 396.300 3.763 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000823092695 606565483 /nfs/dbraw/zinc/56/54/83/606565483.db2.gz ICUUYFFIYKTYGR-SFHVURJKSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000823092695 606565484 /nfs/dbraw/zinc/56/54/84/606565484.db2.gz ICUUYFFIYKTYGR-SFHVURJKSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(NCC(F)F)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000823166842 606573495 /nfs/dbraw/zinc/57/34/95/606573495.db2.gz QQNPBTPSEIAINT-UHFFFAOYSA-N -1 3 394.769 3.699 20 0 GHADHM O=C(NCC(F)F)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000823166842 606573497 /nfs/dbraw/zinc/57/34/97/606573497.db2.gz QQNPBTPSEIAINT-UHFFFAOYSA-N -1 3 394.769 3.699 20 0 GHADHM COc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821698722 606596485 /nfs/dbraw/zinc/59/64/85/606596485.db2.gz WEBDOZWCYMVEQX-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821698722 606596487 /nfs/dbraw/zinc/59/64/87/606596487.db2.gz WEBDOZWCYMVEQX-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821400203 606596545 /nfs/dbraw/zinc/59/65/45/606596545.db2.gz GVXYEIVVSOWXSA-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821400203 606596547 /nfs/dbraw/zinc/59/65/47/606596547.db2.gz GVXYEIVVSOWXSA-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CNc2ccccc2)cc1 ZINC000823104421 606599226 /nfs/dbraw/zinc/59/92/26/606599226.db2.gz WIZRALWCQIYDIZ-UHFFFAOYSA-N -1 3 384.443 3.660 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(CNc2ccccc2)cc1 ZINC000823104421 606599227 /nfs/dbraw/zinc/59/92/27/606599227.db2.gz WIZRALWCQIYDIZ-UHFFFAOYSA-N -1 3 384.443 3.660 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823308916 606613648 /nfs/dbraw/zinc/61/36/48/606613648.db2.gz MNLHRKALQCKRIW-JOCHJYFZSA-N -1 3 388.475 3.769 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823308916 606613649 /nfs/dbraw/zinc/61/36/49/606613649.db2.gz MNLHRKALQCKRIW-JOCHJYFZSA-N -1 3 388.475 3.769 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314005 606620371 /nfs/dbraw/zinc/62/03/71/606620371.db2.gz GSWQHVKQFHSCLZ-CYBMUJFWSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314005 606620373 /nfs/dbraw/zinc/62/03/73/606620373.db2.gz GSWQHVKQFHSCLZ-CYBMUJFWSA-N -1 3 383.883 3.966 20 0 GHADHM O=C1CCCc2ccc(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cc21 ZINC000823530431 606627061 /nfs/dbraw/zinc/62/70/61/606627061.db2.gz JMJOFGZNZVGFHJ-UHFFFAOYSA-N -1 3 398.879 3.848 20 0 GHADHM O=C1CCCc2ccc(NC(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cc21 ZINC000823530431 606627063 /nfs/dbraw/zinc/62/70/63/606627063.db2.gz JMJOFGZNZVGFHJ-UHFFFAOYSA-N -1 3 398.879 3.848 20 0 GHADHM CCN(C(=O)CCCc1csc(C)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153464 606627696 /nfs/dbraw/zinc/62/76/96/606627696.db2.gz CPOSZXHEBIKFJX-ZDUSSCGKSA-N -1 3 384.509 3.564 20 0 GHADHM CCN(C(=O)CCCc1csc(C)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153464 606627698 /nfs/dbraw/zinc/62/76/98/606627698.db2.gz CPOSZXHEBIKFJX-ZDUSSCGKSA-N -1 3 384.509 3.564 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822356232 606630661 /nfs/dbraw/zinc/63/06/61/606630661.db2.gz OEFBTDPLMRVNOF-UHFFFAOYSA-N -1 3 387.896 3.579 20 0 GHADHM Cc1ccccc1CN(C)C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822356232 606630662 /nfs/dbraw/zinc/63/06/62/606630662.db2.gz OEFBTDPLMRVNOF-UHFFFAOYSA-N -1 3 387.896 3.579 20 0 GHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821609580 606662218 /nfs/dbraw/zinc/66/22/18/606662218.db2.gz CXIYKTWRBFQVAL-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821609580 606662219 /nfs/dbraw/zinc/66/22/19/606662219.db2.gz CXIYKTWRBFQVAL-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)cs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823375938 606663281 /nfs/dbraw/zinc/66/32/81/606663281.db2.gz QRLSKHKUBVHSFV-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1nc(-c2ccccc2)cs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823375938 606663282 /nfs/dbraw/zinc/66/32/82/606663282.db2.gz QRLSKHKUBVHSFV-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820555040 606669270 /nfs/dbraw/zinc/66/92/70/606669270.db2.gz FAEWPUCJOBRRER-SNVBAGLBSA-N -1 3 383.358 3.724 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820555040 606669271 /nfs/dbraw/zinc/66/92/71/606669271.db2.gz FAEWPUCJOBRRER-SNVBAGLBSA-N -1 3 383.358 3.724 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000820386129 606672383 /nfs/dbraw/zinc/67/23/83/606672383.db2.gz WADGILLELUXOLU-QMMMGPOBSA-N -1 3 397.307 3.655 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000820386129 606672384 /nfs/dbraw/zinc/67/23/84/606672384.db2.gz WADGILLELUXOLU-QMMMGPOBSA-N -1 3 397.307 3.655 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000819899586 606672514 /nfs/dbraw/zinc/67/25/14/606672514.db2.gz XZHJLFLELQTWKM-MRXNPFEDSA-N -1 3 389.381 3.801 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000819899586 606672515 /nfs/dbraw/zinc/67/25/15/606672515.db2.gz XZHJLFLELQTWKM-MRXNPFEDSA-N -1 3 389.381 3.801 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2)nc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823356053 606672967 /nfs/dbraw/zinc/67/29/67/606672967.db2.gz JHEKDASBPDQWJK-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2)nc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823356053 606672968 /nfs/dbraw/zinc/67/29/68/606672968.db2.gz JHEKDASBPDQWJK-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821681720 606673799 /nfs/dbraw/zinc/67/37/99/606673799.db2.gz QLWNPWRUGXMTGD-CYBMUJFWSA-N -1 3 381.436 3.579 20 0 GHADHM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821681720 606673800 /nfs/dbraw/zinc/67/38/00/606673800.db2.gz QLWNPWRUGXMTGD-CYBMUJFWSA-N -1 3 381.436 3.579 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000822232774 606674520 /nfs/dbraw/zinc/67/45/20/606674520.db2.gz ATGUVUYLQLNNOU-QGZVFWFLSA-N -1 3 383.402 3.739 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000822232774 606674521 /nfs/dbraw/zinc/67/45/21/606674521.db2.gz ATGUVUYLQLNNOU-QGZVFWFLSA-N -1 3 383.402 3.739 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821060322 606678187 /nfs/dbraw/zinc/67/81/87/606678187.db2.gz ALXPSJRNPPKZSR-UHFFFAOYSA-N -1 3 386.406 3.634 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821060322 606678188 /nfs/dbraw/zinc/67/81/88/606678188.db2.gz ALXPSJRNPPKZSR-UHFFFAOYSA-N -1 3 386.406 3.634 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820294849 606680512 /nfs/dbraw/zinc/68/05/12/606680512.db2.gz VBUPCXQRYMNCPB-SNVBAGLBSA-N -1 3 391.809 3.502 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820294849 606680513 /nfs/dbraw/zinc/68/05/13/606680513.db2.gz VBUPCXQRYMNCPB-SNVBAGLBSA-N -1 3 391.809 3.502 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820666102 606682308 /nfs/dbraw/zinc/68/23/08/606682308.db2.gz GWRYDGOFDBIYCC-LALPHHSUSA-N -1 3 383.402 3.552 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820666102 606682309 /nfs/dbraw/zinc/68/23/09/606682309.db2.gz GWRYDGOFDBIYCC-LALPHHSUSA-N -1 3 383.402 3.552 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822940803 606685539 /nfs/dbraw/zinc/68/55/39/606685539.db2.gz FHMXNEROOSCHRD-SFHVURJKSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822940803 606685540 /nfs/dbraw/zinc/68/55/40/606685540.db2.gz FHMXNEROOSCHRD-SFHVURJKSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(Nc1cccc(NC2CCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823367686 606696686 /nfs/dbraw/zinc/69/66/86/606696686.db2.gz NEEVRDPMFKZTNM-UHFFFAOYSA-N -1 3 384.390 3.752 20 0 GHADHM O=C(Nc1cccc(NC2CCCC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823367686 606696687 /nfs/dbraw/zinc/69/66/87/606696687.db2.gz NEEVRDPMFKZTNM-UHFFFAOYSA-N -1 3 384.390 3.752 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820989176 606697106 /nfs/dbraw/zinc/69/71/06/606697106.db2.gz NJMWPAZNTKUZIT-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820989176 606697107 /nfs/dbraw/zinc/69/71/07/606697107.db2.gz NJMWPAZNTKUZIT-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM CCCCOc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821077796 606702612 /nfs/dbraw/zinc/70/26/12/606702612.db2.gz UDKNMPWYMIDMHM-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM CCCCOc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821077796 606702613 /nfs/dbraw/zinc/70/26/13/606702613.db2.gz UDKNMPWYMIDMHM-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM CCOCCC1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCCC1 ZINC000821373718 606721256 /nfs/dbraw/zinc/72/12/56/606721256.db2.gz LCWKDFNEBQBWLH-UHFFFAOYSA-N -1 3 384.406 3.679 20 0 GHADHM CCOCCC1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCCC1 ZINC000821373718 606721257 /nfs/dbraw/zinc/72/12/57/606721257.db2.gz LCWKDFNEBQBWLH-UHFFFAOYSA-N -1 3 384.406 3.679 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Br ZINC000823337322 606728125 /nfs/dbraw/zinc/72/81/25/606728125.db2.gz KSVPFMIOUGBYDK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Br ZINC000823337322 606728126 /nfs/dbraw/zinc/72/81/26/606728126.db2.gz KSVPFMIOUGBYDK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(OCc1csc(C2CCCC2)n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823440051 606758258 /nfs/dbraw/zinc/75/82/58/606758258.db2.gz AKGZXQCKPBXEFM-UHFFFAOYSA-N -1 3 391.403 3.616 20 0 GHADHM O=C(OCc1csc(C2CCCC2)n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823440051 606758260 /nfs/dbraw/zinc/75/82/60/606758260.db2.gz AKGZXQCKPBXEFM-UHFFFAOYSA-N -1 3 391.403 3.616 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cccc1C(F)(F)F ZINC000822103708 606772003 /nfs/dbraw/zinc/77/20/03/606772003.db2.gz KKRJWTXINYBUEW-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cccc1C(F)(F)F ZINC000822103708 606772005 /nfs/dbraw/zinc/77/20/05/606772005.db2.gz KKRJWTXINYBUEW-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)O1 ZINC000820972985 606787576 /nfs/dbraw/zinc/78/75/76/606787576.db2.gz SNBNYEPDUDWVJJ-KXBFYZLASA-N -1 3 393.447 3.864 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)O1 ZINC000820972985 606787577 /nfs/dbraw/zinc/78/75/77/606787577.db2.gz SNBNYEPDUDWVJJ-KXBFYZLASA-N -1 3 393.447 3.864 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCCC2(C)C)cc1 ZINC000822136997 606790910 /nfs/dbraw/zinc/79/09/10/606790910.db2.gz STIBJJMJOXDBKL-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCCC2(C)C)cc1 ZINC000822136997 606790911 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379.351 3.579 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502332 606801013 /nfs/dbraw/zinc/80/10/13/606801013.db2.gz PORNKDRNXGKXJC-NSHDSACASA-N -1 3 379.351 3.579 20 0 GHADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412200 606821592 /nfs/dbraw/zinc/82/15/92/606821592.db2.gz KVSVCKLDSFOKLX-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820412200 606821593 /nfs/dbraw/zinc/82/15/93/606821593.db2.gz KVSVCKLDSFOKLX-VXGBXAGGSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000820550807 606850831 /nfs/dbraw/zinc/85/08/31/606850831.db2.gz ZBDWDPXSHXAUAR-SUNKGSAMSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000820550807 606850833 /nfs/dbraw/zinc/85/08/33/606850833.db2.gz ZBDWDPXSHXAUAR-SUNKGSAMSA-N -1 3 379.917 3.696 20 0 GHADHM CC[C@@H](S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1 ZINC000820937695 606873659 /nfs/dbraw/zinc/87/36/59/606873659.db2.gz CAJDFXZKAXQBQA-HUUCEWRRSA-N -1 3 385.518 3.918 20 0 GHADHM CC[C@@H](S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1 ZINC000820937695 606873660 /nfs/dbraw/zinc/87/36/60/606873660.db2.gz CAJDFXZKAXQBQA-HUUCEWRRSA-N -1 3 385.518 3.918 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000822351835 606939358 /nfs/dbraw/zinc/93/93/58/606939358.db2.gz RMPDROWMFKGVIJ-KRWDZBQOSA-N -1 3 389.381 3.772 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000822351835 606939360 /nfs/dbraw/zinc/93/93/60/606939360.db2.gz RMPDROWMFKGVIJ-KRWDZBQOSA-N -1 3 389.381 3.772 20 0 GHADHM CN(C(=O)c1ccc(OC2CCC2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574511 606961382 /nfs/dbraw/zinc/96/13/82/606961382.db2.gz JTRLDTZEDBOMAO-UHFFFAOYSA-N -1 3 383.839 3.728 20 0 GHADHM CN(C(=O)c1ccc(OC2CCC2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574511 606961384 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3.625 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2ccccc2F)n1 ZINC000823426940 606997938 /nfs/dbraw/zinc/99/79/38/606997938.db2.gz ROYSFUTZXOAWNF-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1-c1nnn[n-]1 ZINC000822775594 607005385 /nfs/dbraw/zinc/00/53/85/607005385.db2.gz YCQXNTCZCZQOQG-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1-c1nn[n-]n1 ZINC000822775594 607005387 /nfs/dbraw/zinc/00/53/87/607005387.db2.gz YCQXNTCZCZQOQG-UHFFFAOYSA-N -1 3 393.407 3.829 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccncc1 ZINC000820225322 607005941 /nfs/dbraw/zinc/00/59/41/607005941.db2.gz GLQVPBWAKHSIDC-GFCCVEGCSA-N -1 3 382.493 3.724 20 0 GHADHM C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccncc1 ZINC000820225322 607005943 /nfs/dbraw/zinc/00/59/43/607005943.db2.gz GLQVPBWAKHSIDC-GFCCVEGCSA-N -1 3 382.493 3.724 20 0 GHADHM CCn1c(SCc2ccc(-c3nnn[n-]3)cc2F)nnc1-c1ccc(C)cc1 ZINC000821565259 607016977 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GHADHM O=C(NCCc1ccc(-c2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823219326 607096313 /nfs/dbraw/zinc/09/63/13/607096313.db2.gz JBTSRPDZXQHLSY-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM O=C(NCCc1ccc(-c2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823219326 607096315 /nfs/dbraw/zinc/09/63/15/607096315.db2.gz JBTSRPDZXQHLSY-UHFFFAOYSA-N -1 3 375.457 3.568 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC(C(F)F)CC1 ZINC000823493278 607098154 /nfs/dbraw/zinc/09/81/54/607098154.db2.gz JZHARQHFBRWYDL-UHFFFAOYSA-N -1 3 383.402 3.651 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCC(C(F)F)CC1 ZINC000823493278 607098156 /nfs/dbraw/zinc/09/81/56/607098156.db2.gz JZHARQHFBRWYDL-UHFFFAOYSA-N -1 3 383.402 3.651 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000821309223 607101205 /nfs/dbraw/zinc/10/12/05/607101205.db2.gz KRZZAVJQNHMNLY-UHFFFAOYSA-N -1 3 395.448 3.576 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822402454 607131709 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GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(C)c1F ZINC000821389364 607152588 /nfs/dbraw/zinc/15/25/88/607152588.db2.gz KGGMYRWNASGJBF-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(C)c1F ZINC000821389364 607152589 /nfs/dbraw/zinc/15/25/89/607152589.db2.gz KGGMYRWNASGJBF-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCC(=O)c1cc(C)c(F)cc1Cl ZINC000821394773 607156504 /nfs/dbraw/zinc/15/65/04/607156504.db2.gz NOHWZXFOWZYISO-UHFFFAOYSA-N -1 3 390.802 3.628 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCC(=O)c1cc(C)c(F)cc1Cl ZINC000821394773 607156506 /nfs/dbraw/zinc/15/65/06/607156506.db2.gz NOHWZXFOWZYISO-UHFFFAOYSA-N -1 3 390.802 3.628 20 0 GHADHM CCO[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C(C)C ZINC000821350692 607156797 /nfs/dbraw/zinc/15/67/97/607156797.db2.gz BLRQIVKFXTWPIM-HNNXBMFYSA-N -1 3 385.493 3.985 20 0 GHADHM CCO[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C(C)C ZINC000821350692 607156798 /nfs/dbraw/zinc/15/67/98/607156798.db2.gz BLRQIVKFXTWPIM-HNNXBMFYSA-N -1 3 385.493 3.985 20 0 GHADHM O=C(CCCC1CCCCC1)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000822954807 607187798 /nfs/dbraw/zinc/18/77/98/607187798.db2.gz FBKOQEXSFICBIV-UHFFFAOYSA-N -1 3 393.495 3.624 20 0 GHADHM O=C(CCCC1CCCCC1)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000822954807 607187799 /nfs/dbraw/zinc/18/77/99/607187799.db2.gz FBKOQEXSFICBIV-UHFFFAOYSA-N -1 3 393.495 3.624 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823313481 607190401 /nfs/dbraw/zinc/19/04/01/607190401.db2.gz CGFAMHYFJTZDPS-UWVGGRQHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823313481 607190402 /nfs/dbraw/zinc/19/04/02/607190402.db2.gz CGFAMHYFJTZDPS-UWVGGRQHSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(NCc1cccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261105 607198452 /nfs/dbraw/zinc/19/84/52/607198452.db2.gz AKXFUZNLQZYANG-UHFFFAOYSA-N -1 3 378.823 3.995 20 0 GHADHM O=C(NCc1cccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261105 607198453 /nfs/dbraw/zinc/19/84/53/607198453.db2.gz AKXFUZNLQZYANG-UHFFFAOYSA-N -1 3 378.823 3.995 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820373829 607198677 /nfs/dbraw/zinc/19/86/77/607198677.db2.gz JLBFOFGRGKPEAW-PSVSLLHZSA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820373829 607198678 /nfs/dbraw/zinc/19/86/78/607198678.db2.gz JLBFOFGRGKPEAW-PSVSLLHZSA-N -1 3 398.854 3.595 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820643186 607200725 /nfs/dbraw/zinc/20/07/25/607200725.db2.gz RJVWGQPGOVOHRB-WFASDCNBSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820643186 607200726 /nfs/dbraw/zinc/20/07/26/607200726.db2.gz RJVWGQPGOVOHRB-WFASDCNBSA-N -1 3 382.855 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 ZINC000823319824 607203024 /nfs/dbraw/zinc/20/30/24/607203024.db2.gz ZCWKIYQZBZYQQT-UHFFFAOYSA-N -1 3 393.838 3.592 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 ZINC000823319824 607203025 /nfs/dbraw/zinc/20/30/25/607203025.db2.gz ZCWKIYQZBZYQQT-UHFFFAOYSA-N -1 3 393.838 3.592 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(C)cs1 ZINC000820920267 607204202 /nfs/dbraw/zinc/20/42/02/607204202.db2.gz OJTGJTLDDIHOBK-NSHDSACASA-N -1 3 377.861 3.558 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C)cs1 ZINC000820920267 607204203 /nfs/dbraw/zinc/20/42/03/607204203.db2.gz OJTGJTLDDIHOBK-NSHDSACASA-N -1 3 377.861 3.558 20 0 GHADHM CCc1c(C)sc(NC(=O)C(C)(C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000821465618 607238037 /nfs/dbraw/zinc/23/80/37/607238037.db2.gz KTIFFBUISMELOP-UHFFFAOYSA-N -1 3 385.493 3.724 20 0 GHADHM CCc1c(C)sc(NC(=O)C(C)(C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000821465618 607238038 /nfs/dbraw/zinc/23/80/38/607238038.db2.gz KTIFFBUISMELOP-UHFFFAOYSA-N -1 3 385.493 3.724 20 0 GHADHM O=C(COc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823054988 607242854 /nfs/dbraw/zinc/24/28/54/607242854.db2.gz INLQEMCLIZVAIA-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823054988 607242855 /nfs/dbraw/zinc/24/28/55/607242855.db2.gz INLQEMCLIZVAIA-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822225095 607243950 /nfs/dbraw/zinc/24/39/50/607243950.db2.gz OACWYTDUKVTJKI-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822225095 607243951 /nfs/dbraw/zinc/24/39/51/607243951.db2.gz OACWYTDUKVTJKI-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826326309 607782478 /nfs/dbraw/zinc/78/24/78/607782478.db2.gz KDCKTVYFALLQPJ-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826326309 607782479 /nfs/dbraw/zinc/78/24/79/607782479.db2.gz KDCKTVYFALLQPJ-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825281424 607789774 /nfs/dbraw/zinc/78/97/74/607789774.db2.gz FEVJHHBUGBAPMO-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM CCCCN(CC)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825281424 607789775 /nfs/dbraw/zinc/78/97/75/607789775.db2.gz FEVJHHBUGBAPMO-UHFFFAOYSA-N -1 3 378.480 3.770 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(C1CC1)C1CC1 ZINC000826442067 607794382 /nfs/dbraw/zinc/79/43/82/607794382.db2.gz HZXXBXUFMXIHMP-UHFFFAOYSA-N -1 3 379.489 3.648 20 0 GHADHM CCN(C(=O)[C@H](C)CSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362811 607797973 /nfs/dbraw/zinc/79/79/73/607797973.db2.gz RITYBAGWUDEMBF-CYBMUJFWSA-N -1 3 385.468 3.787 20 0 GHADHM CCN(C(=O)[C@H](C)CSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362811 607797974 /nfs/dbraw/zinc/79/79/74/607797974.db2.gz RITYBAGWUDEMBF-CYBMUJFWSA-N -1 3 385.468 3.787 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377104 607799194 /nfs/dbraw/zinc/79/91/94/607799194.db2.gz SXFHREVNVBSZSX-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377104 607799195 /nfs/dbraw/zinc/79/91/95/607799195.db2.gz SXFHREVNVBSZSX-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CCN(C(=O)c1sc2nccc(C)c2c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390491 607800359 /nfs/dbraw/zinc/80/03/59/607800359.db2.gz HCCCFAFSSOFOHD-UHFFFAOYSA-N -1 3 378.461 3.760 20 0 GHADHM CCN(C(=O)c1sc2nccc(C)c2c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390491 607800360 /nfs/dbraw/zinc/80/03/60/607800360.db2.gz HCCCFAFSSOFOHD-UHFFFAOYSA-N -1 3 378.461 3.760 20 0 GHADHM CC(C)C1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000824226284 607803871 /nfs/dbraw/zinc/80/38/71/607803871.db2.gz XHCHXNAKPOJRDC-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM CC(C)C1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000824226284 607803872 /nfs/dbraw/zinc/80/38/72/607803872.db2.gz XHCHXNAKPOJRDC-UHFFFAOYSA-N -1 3 378.436 3.779 20 0 GHADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)c(F)cc1Br ZINC000826372696 607808215 /nfs/dbraw/zinc/80/82/15/607808215.db2.gz IBZWXCDLQXKOCR-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)c(F)cc1Br ZINC000826372696 607808216 /nfs/dbraw/zinc/80/82/16/607808216.db2.gz IBZWXCDLQXKOCR-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470056 607816058 /nfs/dbraw/zinc/81/60/58/607816058.db2.gz FOZKNMCYYKYXRK-KDOFPFPSSA-N -1 3 379.464 3.600 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470056 607816059 /nfs/dbraw/zinc/81/60/59/607816059.db2.gz FOZKNMCYYKYXRK-KDOFPFPSSA-N -1 3 379.464 3.600 20 0 GHADHM COCCN(C(=O)CCC(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157359 607829931 /nfs/dbraw/zinc/82/99/31/607829931.db2.gz RVZYLALKYWAFID-UHFFFAOYSA-N -1 3 393.491 3.604 20 0 GHADHM COCCN(C(=O)CCC(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157359 607829932 /nfs/dbraw/zinc/82/99/32/607829932.db2.gz RVZYLALKYWAFID-UHFFFAOYSA-N -1 3 393.491 3.604 20 0 GHADHM CN(Cc1cccc(F)c1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825981630 607833480 /nfs/dbraw/zinc/83/34/80/607833480.db2.gz VSNGOBWKFGHXQB-UHFFFAOYSA-N -1 3 380.210 3.585 20 0 GHADHM CN(Cc1cccc(F)c1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825981630 607833481 /nfs/dbraw/zinc/83/34/81/607833481.db2.gz VSNGOBWKFGHXQB-UHFFFAOYSA-N -1 3 380.210 3.585 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cccnc1Cl ZINC000824754126 607843748 /nfs/dbraw/zinc/84/37/48/607843748.db2.gz IAPYAQJBMUTBHL-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cccnc1Cl ZINC000824754126 607843749 /nfs/dbraw/zinc/84/37/49/607843749.db2.gz IAPYAQJBMUTBHL-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000826234453 607855822 /nfs/dbraw/zinc/85/58/22/607855822.db2.gz XIFOIKFTQGILFG-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1-c1ccccn1 ZINC000826234453 607855823 /nfs/dbraw/zinc/85/58/23/607855823.db2.gz XIFOIKFTQGILFG-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM CCN(C(=O)c1ccc(C)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379886 607861161 /nfs/dbraw/zinc/86/11/61/607861161.db2.gz LEPUNGBRPOMWAV-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(C)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379886 607861162 /nfs/dbraw/zinc/86/11/62/607861162.db2.gz LEPUNGBRPOMWAV-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826503928 607878459 /nfs/dbraw/zinc/87/84/59/607878459.db2.gz JTUVUMNELWBGSU-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000826503928 607878460 /nfs/dbraw/zinc/87/84/60/607878460.db2.gz JTUVUMNELWBGSU-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM CCN(C(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371526 607878802 /nfs/dbraw/zinc/87/88/02/607878802.db2.gz HOOPCRQIJNSSMC-GOSISDBHSA-N -1 3 397.866 3.577 20 0 GHADHM CCN(C(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371526 607878803 /nfs/dbraw/zinc/87/88/03/607878803.db2.gz HOOPCRQIJNSSMC-GOSISDBHSA-N -1 3 397.866 3.577 20 0 GHADHM CCN(C(=O)c1ccc(Br)o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380523 607879196 /nfs/dbraw/zinc/87/91/96/607879196.db2.gz PUHYWNSPEZGRMA-UHFFFAOYSA-N -1 3 396.632 3.542 20 0 GHADHM CCN(C(=O)c1ccc(Br)o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380523 607879197 /nfs/dbraw/zinc/87/91/97/607879197.db2.gz PUHYWNSPEZGRMA-UHFFFAOYSA-N -1 3 396.632 3.542 20 0 GHADHM CC1=C(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCO1 ZINC000824852467 607894092 /nfs/dbraw/zinc/89/40/92/607894092.db2.gz MTTOEKHQLIABLV-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM CC1=C(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCO1 ZINC000824852467 607894093 /nfs/dbraw/zinc/89/40/93/607894093.db2.gz MTTOEKHQLIABLV-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@H]2CCSC2)cc1 ZINC000826255468 607918302 /nfs/dbraw/zinc/91/83/02/607918302.db2.gz YWYGQCWWORQDBK-INIZCTEOSA-N -1 3 395.488 3.545 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)[C@H]2CCSC2)cc1 ZINC000826255468 607918303 /nfs/dbraw/zinc/91/83/03/607918303.db2.gz YWYGQCWWORQDBK-INIZCTEOSA-N -1 3 395.488 3.545 20 0 GHADHM COCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826148012 607925604 /nfs/dbraw/zinc/92/56/04/607925604.db2.gz VHPKOXMINPRDPX-UHFFFAOYSA-N -1 3 381.436 3.579 20 0 GHADHM COCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826148012 607925605 /nfs/dbraw/zinc/92/56/05/607925605.db2.gz VHPKOXMINPRDPX-UHFFFAOYSA-N -1 3 381.436 3.579 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826285277 607947222 /nfs/dbraw/zinc/94/72/22/607947222.db2.gz UNOYEXSCVHNJTO-UHFFFAOYSA-N -1 3 391.475 3.622 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826285277 607947223 /nfs/dbraw/zinc/94/72/23/607947223.db2.gz UNOYEXSCVHNJTO-UHFFFAOYSA-N -1 3 391.475 3.622 20 0 GHADHM O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399014 607947418 /nfs/dbraw/zinc/94/74/18/607947418.db2.gz KIAOVGICUZPCNQ-WOJBJXKFSA-N -1 3 381.439 3.713 20 0 GHADHM O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399014 607947419 /nfs/dbraw/zinc/94/74/19/607947419.db2.gz KIAOVGICUZPCNQ-WOJBJXKFSA-N -1 3 381.439 3.713 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824323812 607948472 /nfs/dbraw/zinc/94/84/72/607948472.db2.gz BOXMYAKMBWCONC-UHFFFAOYSA-N -1 3 383.839 3.510 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824323812 607948473 /nfs/dbraw/zinc/94/84/73/607948473.db2.gz BOXMYAKMBWCONC-UHFFFAOYSA-N -1 3 383.839 3.510 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826284907 607950156 /nfs/dbraw/zinc/95/01/56/607950156.db2.gz JTPUVASYWFZCPK-PMACEKPBSA-N -1 3 392.459 3.571 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)cc1 ZINC000826284907 607950157 /nfs/dbraw/zinc/95/01/57/607950157.db2.gz JTPUVASYWFZCPK-PMACEKPBSA-N -1 3 392.459 3.571 20 0 GHADHM O=C(c1ccc(C2SCCS2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472280 607950564 /nfs/dbraw/zinc/95/05/64/607950564.db2.gz FQKIZBFUNPAQPL-UHFFFAOYSA-N -1 3 395.513 3.548 20 0 GHADHM O=C(c1ccc(C2SCCS2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472280 607950565 /nfs/dbraw/zinc/95/05/65/607950565.db2.gz FQKIZBFUNPAQPL-UHFFFAOYSA-N -1 3 395.513 3.548 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826403369 607963598 /nfs/dbraw/zinc/96/35/98/607963598.db2.gz QDRLNKPBKBULAS-RJRFIUFISA-N -1 3 394.744 3.586 20 0 GHADHM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826403369 607963599 /nfs/dbraw/zinc/96/35/99/607963599.db2.gz QDRLNKPBKBULAS-RJRFIUFISA-N -1 3 394.744 3.586 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000825318802 607970245 /nfs/dbraw/zinc/97/02/45/607970245.db2.gz RTIRIAKKTOQHSP-UHFFFAOYSA-N -1 3 390.422 3.606 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000825318802 607970246 /nfs/dbraw/zinc/97/02/46/607970246.db2.gz RTIRIAKKTOQHSP-UHFFFAOYSA-N -1 3 390.422 3.606 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367052 607978378 /nfs/dbraw/zinc/97/83/78/607978378.db2.gz ILQHACSVFBJXQV-ZRVMKQEGSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367052 607978379 /nfs/dbraw/zinc/97/83/79/607978379.db2.gz ILQHACSVFBJXQV-ZRVMKQEGSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367050 607978439 /nfs/dbraw/zinc/97/84/39/607978439.db2.gz ILQHACSVFBJXQV-KKNAONHISA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367050 607978440 /nfs/dbraw/zinc/97/84/40/607978440.db2.gz ILQHACSVFBJXQV-KKNAONHISA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385888 607978445 /nfs/dbraw/zinc/97/84/45/607978445.db2.gz UVWJRGVSTRBJIL-ZDUSSCGKSA-N -1 3 390.422 3.777 20 0 GHADHM CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385888 607978446 /nfs/dbraw/zinc/97/84/46/607978446.db2.gz UVWJRGVSTRBJIL-ZDUSSCGKSA-N -1 3 390.422 3.777 20 0 GHADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000826504121 607982614 /nfs/dbraw/zinc/98/26/14/607982614.db2.gz NNSUFSVYQRITDX-ZDUSSCGKSA-N -1 3 385.638 3.939 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1Cl ZINC000826504121 607982615 /nfs/dbraw/zinc/98/26/15/607982615.db2.gz NNSUFSVYQRITDX-ZDUSSCGKSA-N -1 3 385.638 3.939 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)n1C ZINC000826273375 607993324 /nfs/dbraw/zinc/99/33/24/607993324.db2.gz ARFUVQUBJVQJBJ-LBPRGKRZSA-N -1 3 394.460 3.555 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)n1C ZINC000826273375 607993325 /nfs/dbraw/zinc/99/33/25/607993325.db2.gz ARFUVQUBJVQJBJ-LBPRGKRZSA-N -1 3 394.460 3.555 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000826191126 608000083 /nfs/dbraw/zinc/00/00/83/608000083.db2.gz XVKGNOZPZMOSCZ-GFCCVEGCSA-N -1 3 397.504 3.633 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000826191126 608000084 /nfs/dbraw/zinc/00/00/84/608000084.db2.gz XVKGNOZPZMOSCZ-GFCCVEGCSA-N -1 3 397.504 3.633 20 0 GHADHM CCc1onc(C)c1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825782560 608008995 /nfs/dbraw/zinc/00/89/95/608008995.db2.gz HDHUFXONCZDZIV-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1onc(C)c1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825782560 608008996 /nfs/dbraw/zinc/00/89/96/608008996.db2.gz HDHUFXONCZDZIV-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000825317793 608010034 /nfs/dbraw/zinc/01/00/34/608010034.db2.gz BWHRDQNEPRPOCT-UHFFFAOYSA-N -1 3 392.463 3.822 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000825317793 608010035 /nfs/dbraw/zinc/01/00/35/608010035.db2.gz BWHRDQNEPRPOCT-UHFFFAOYSA-N -1 3 392.463 3.822 20 0 GHADHM C[C@H](S[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824754063 608015915 /nfs/dbraw/zinc/01/59/15/608015915.db2.gz HPVLERSNNBRGIQ-KXBFYZLASA-N -1 3 393.516 3.852 20 0 GHADHM C[C@H](S[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824754063 608015916 /nfs/dbraw/zinc/01/59/16/608015916.db2.gz HPVLERSNNBRGIQ-KXBFYZLASA-N -1 3 393.516 3.852 20 0 GHADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1nc(-c2ccccc2)no1 ZINC000824428234 608016776 /nfs/dbraw/zinc/01/67/76/608016776.db2.gz QYPHOSMVHMSOSF-CYBMUJFWSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1nc(-c2ccccc2)no1 ZINC000824428234 608016777 /nfs/dbraw/zinc/01/67/77/608016777.db2.gz QYPHOSMVHMSOSF-CYBMUJFWSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824433482 608016816 /nfs/dbraw/zinc/01/68/16/608016816.db2.gz FPBMORLVCLSDNC-CYBMUJFWSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824433482 608016817 /nfs/dbraw/zinc/01/68/17/608016817.db2.gz FPBMORLVCLSDNC-CYBMUJFWSA-N -1 3 398.430 3.681 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826406727 608023572 /nfs/dbraw/zinc/02/35/72/608023572.db2.gz KEBDQUSJYJQNFN-UHFFFAOYSA-N -1 3 394.866 3.571 20 0 GHADHM O=C(CCCn1ccc2cc(Cl)ccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826406727 608023573 /nfs/dbraw/zinc/02/35/73/608023573.db2.gz KEBDQUSJYJQNFN-UHFFFAOYSA-N -1 3 394.866 3.571 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081110 608028983 /nfs/dbraw/zinc/02/89/83/608028983.db2.gz GICOAJFDLUYMAM-OLZOCXBDSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081110 608028984 /nfs/dbraw/zinc/02/89/84/608028984.db2.gz GICOAJFDLUYMAM-OLZOCXBDSA-N -1 3 380.452 3.830 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826408563 608032124 /nfs/dbraw/zinc/03/21/24/608032124.db2.gz LVJRXANMGTZPTG-OAQYLSRUSA-N -1 3 389.503 3.813 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826408563 608032125 /nfs/dbraw/zinc/03/21/25/608032125.db2.gz LVJRXANMGTZPTG-OAQYLSRUSA-N -1 3 389.503 3.813 20 0 GHADHM Cc1cc(-c2nnc(CN(CC(C)C)c3ccc(-c4nn[n-]n4)cc3)o2)c(C)o1 ZINC000826242668 608032952 /nfs/dbraw/zinc/03/29/52/608032952.db2.gz AHCSFYOVIUJTEQ-UHFFFAOYSA-N -1 3 393.451 3.789 20 0 GHADHM COC[C@@H](C)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826149239 608075591 /nfs/dbraw/zinc/07/55/91/608075591.db2.gz CRFZSPCJTVTNRL-LLVKDONJSA-N -1 3 388.811 3.504 20 0 GHADHM COC[C@@H](C)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826149239 608075592 /nfs/dbraw/zinc/07/55/92/608075592.db2.gz CRFZSPCJTVTNRL-LLVKDONJSA-N -1 3 388.811 3.504 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000826369013 608098752 /nfs/dbraw/zinc/09/87/52/608098752.db2.gz JIEURMKKFYGWNZ-AGIUHOORSA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000826369013 608098753 /nfs/dbraw/zinc/09/87/53/608098753.db2.gz JIEURMKKFYGWNZ-AGIUHOORSA-N -1 3 387.456 3.677 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000824498197 608100033 /nfs/dbraw/zinc/10/00/33/608100033.db2.gz DFZGTKUAIHLDOP-TYILLQQXSA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000824498197 608100034 /nfs/dbraw/zinc/10/00/34/608100034.db2.gz DFZGTKUAIHLDOP-TYILLQQXSA-N -1 3 376.464 3.551 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CC[C@H](C2CC2)C1 ZINC000826442082 608113449 /nfs/dbraw/zinc/11/34/49/608113449.db2.gz IGGHZAXQOVMBSA-INIZCTEOSA-N -1 3 394.504 3.537 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826401559 608128779 /nfs/dbraw/zinc/12/87/79/608128779.db2.gz BMXVWRFKNIURMN-ROJDOSBLSA-N -1 3 382.807 3.600 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826401559 608128780 /nfs/dbraw/zinc/12/87/80/608128780.db2.gz BMXVWRFKNIURMN-ROJDOSBLSA-N -1 3 382.807 3.600 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(-c2ccccc2)o1 ZINC000826162375 608136665 /nfs/dbraw/zinc/13/66/65/608136665.db2.gz ZCMYOGWAOBNIHF-UHFFFAOYSA-N -1 3 391.431 3.764 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-c2ccccc2)o1 ZINC000826162375 608136666 /nfs/dbraw/zinc/13/66/66/608136666.db2.gz ZCMYOGWAOBNIHF-UHFFFAOYSA-N -1 3 391.431 3.764 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000825013257 608140951 /nfs/dbraw/zinc/14/09/51/608140951.db2.gz NYDGQHBPCVOKBL-VIFPVBQESA-N -1 3 391.909 3.970 20 0 GHADHM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825013257 608140952 /nfs/dbraw/zinc/14/09/52/608140952.db2.gz NYDGQHBPCVOKBL-VIFPVBQESA-N -1 3 391.909 3.970 20 0 GHADHM CC(C)(C)C(=O)N1CCC(CSc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824064240 608143864 /nfs/dbraw/zinc/14/38/64/608143864.db2.gz DHLLTXHMLXPYBP-UHFFFAOYSA-N -1 3 393.944 3.897 20 0 GHADHM CC(C)(C)C(=O)N1CCC(CSc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824064240 608143865 /nfs/dbraw/zinc/14/38/65/608143865.db2.gz DHLLTXHMLXPYBP-UHFFFAOYSA-N -1 3 393.944 3.897 20 0 GHADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825363314 608151648 /nfs/dbraw/zinc/15/16/48/608151648.db2.gz XOQDISOPDKSBDU-STQMWFEESA-N -1 3 385.418 3.858 20 0 GHADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825363314 608151649 /nfs/dbraw/zinc/15/16/49/608151649.db2.gz XOQDISOPDKSBDU-STQMWFEESA-N -1 3 385.418 3.858 20 0 GHADHM CCC[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)C ZINC000825225183 608152783 /nfs/dbraw/zinc/15/27/83/608152783.db2.gz NKMJMRUVRSIRFV-HNNXBMFYSA-N -1 3 383.418 3.830 20 0 GHADHM CCC[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)C ZINC000825225183 608152784 /nfs/dbraw/zinc/15/27/84/608152784.db2.gz NKMJMRUVRSIRFV-HNNXBMFYSA-N -1 3 383.418 3.830 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824864364 608153707 /nfs/dbraw/zinc/15/37/07/608153707.db2.gz ASPIKHLAAYUWOM-YJYMSZOUSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824864364 608153710 /nfs/dbraw/zinc/15/37/10/608153710.db2.gz ASPIKHLAAYUWOM-YJYMSZOUSA-N -1 3 391.431 3.603 20 0 GHADHM CCN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367195 608160162 /nfs/dbraw/zinc/16/01/62/608160162.db2.gz KRMPWSPDBQJTIL-UHFFFAOYSA-N -1 3 381.867 3.896 20 0 GHADHM CCN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367195 608160163 /nfs/dbraw/zinc/16/01/63/608160163.db2.gz KRMPWSPDBQJTIL-UHFFFAOYSA-N -1 3 381.867 3.896 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000826340215 608182789 /nfs/dbraw/zinc/18/27/89/608182789.db2.gz NLZDMSQKFPKMSI-LLVKDONJSA-N -1 3 390.403 3.507 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000826340215 608182790 /nfs/dbraw/zinc/18/27/90/608182790.db2.gz NLZDMSQKFPKMSI-LLVKDONJSA-N -1 3 390.403 3.507 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cccnc1Cl ZINC000824757631 608207049 /nfs/dbraw/zinc/20/70/49/608207049.db2.gz YVXXYPDWMFMCCI-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cccnc1Cl ZINC000824757631 608207051 /nfs/dbraw/zinc/20/70/51/608207051.db2.gz YVXXYPDWMFMCCI-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)Cc1ccc(Cl)cc1 ZINC000824384578 608226687 /nfs/dbraw/zinc/22/66/87/608226687.db2.gz FCADKHPKKUXYRC-GFCCVEGCSA-N -1 3 387.846 3.544 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)Cc1ccc(Cl)cc1 ZINC000824384578 608226689 /nfs/dbraw/zinc/22/66/89/608226689.db2.gz FCADKHPKKUXYRC-GFCCVEGCSA-N -1 3 387.846 3.544 20 0 GHADHM Fc1ccc(OC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826375352 608228810 /nfs/dbraw/zinc/22/88/10/608228810.db2.gz JYNFVTWVNTXBMD-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM Fc1ccc(OC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826375352 608228811 /nfs/dbraw/zinc/22/88/11/608228811.db2.gz JYNFVTWVNTXBMD-UHFFFAOYSA-N -1 3 390.422 3.602 20 0 GHADHM Fc1cccc([C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccn2)c1 ZINC000826376482 608234263 /nfs/dbraw/zinc/23/42/63/608234263.db2.gz GATUXFWWPUDYLH-MRXNPFEDSA-N -1 3 381.802 3.651 20 0 GHADHM Fc1cccc([C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccn2)c1 ZINC000826376482 608234266 /nfs/dbraw/zinc/23/42/66/608234266.db2.gz GATUXFWWPUDYLH-MRXNPFEDSA-N -1 3 381.802 3.651 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(F)cc1Br ZINC000826170846 608235974 /nfs/dbraw/zinc/23/59/74/608235974.db2.gz RJKAREPOIBWIRB-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(F)cc1Br ZINC000826170846 608235975 /nfs/dbraw/zinc/23/59/75/608235975.db2.gz RJKAREPOIBWIRB-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824285035 608268239 /nfs/dbraw/zinc/26/82/39/608268239.db2.gz UMVFRFMXXMTXLD-AWEZNQCLSA-N -1 3 396.499 3.725 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824285035 608268241 /nfs/dbraw/zinc/26/82/41/608268241.db2.gz UMVFRFMXXMTXLD-AWEZNQCLSA-N -1 3 396.499 3.725 20 0 GHADHM CCN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367968 608273972 /nfs/dbraw/zinc/27/39/72/608273972.db2.gz YPLVBDBIFJLTQE-FZKQIMNGSA-N -1 3 399.882 3.553 20 0 GHADHM CCN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367968 608273973 /nfs/dbraw/zinc/27/39/73/608273973.db2.gz YPLVBDBIFJLTQE-FZKQIMNGSA-N -1 3 399.882 3.553 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928105 608279397 /nfs/dbraw/zinc/27/93/97/608279397.db2.gz RDEFTXKLBUDOGW-QFBILLFUSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928105 608279398 /nfs/dbraw/zinc/27/93/98/608279398.db2.gz RDEFTXKLBUDOGW-QFBILLFUSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1nc(-c2ccccc2)cs1 ZINC000824613893 608284242 /nfs/dbraw/zinc/28/42/42/608284242.db2.gz XTSNGQHGHSBKHR-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM COCCOc1c(Cl)cc(NCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826161096 608291321 /nfs/dbraw/zinc/29/13/21/608291321.db2.gz TZSRYYVRUYOGEV-UHFFFAOYSA-N -1 3 394.262 3.811 20 0 GHADHM COCCOc1c(Cl)cc(NCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826161096 608291323 /nfs/dbraw/zinc/29/13/23/608291323.db2.gz TZSRYYVRUYOGEV-UHFFFAOYSA-N -1 3 394.262 3.811 20 0 GHADHM Cc1cccc([C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c2ccccn2)c1 ZINC000826296768 608307972 /nfs/dbraw/zinc/30/79/72/608307972.db2.gz ILGASGRRTQUQIE-HXUWFJFHSA-N -1 3 399.458 3.790 20 0 GHADHM Cc1cccc([C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c2ccccn2)c1 ZINC000826296768 608307973 /nfs/dbraw/zinc/30/79/73/608307973.db2.gz ILGASGRRTQUQIE-HXUWFJFHSA-N -1 3 399.458 3.790 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(COc2ccccc2)cc1 ZINC000826422138 608308826 /nfs/dbraw/zinc/30/88/26/608308826.db2.gz NOEMAVAJIFGPBL-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(COc2ccccc2)cc1 ZINC000826422138 608308828 /nfs/dbraw/zinc/30/88/28/608308828.db2.gz NOEMAVAJIFGPBL-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000826170628 608320598 /nfs/dbraw/zinc/32/05/98/608320598.db2.gz IWPRLIMJYDJSQS-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000826170628 608320600 /nfs/dbraw/zinc/32/06/00/608320600.db2.gz IWPRLIMJYDJSQS-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826172946 608325345 /nfs/dbraw/zinc/32/53/45/608325345.db2.gz FNWRHDCXFCRKIQ-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000826172946 608325347 /nfs/dbraw/zinc/32/53/47/608325347.db2.gz FNWRHDCXFCRKIQ-UHFFFAOYSA-N -1 3 397.435 3.801 20 0 GHADHM CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367907 608341903 /nfs/dbraw/zinc/34/19/03/608341903.db2.gz XEIZQPLHSOIIOS-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367907 608341905 /nfs/dbraw/zinc/34/19/05/608341905.db2.gz XEIZQPLHSOIIOS-LBPRGKRZSA-N -1 3 385.855 3.685 20 0 GHADHM CCN(C(=O)[C@H]1Cc2ccccc2S1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367383 608343641 /nfs/dbraw/zinc/34/36/41/608343641.db2.gz OODKCTKDGCLBID-MRXNPFEDSA-N -1 3 385.880 3.590 20 0 GHADHM CCN(C(=O)[C@H]1Cc2ccccc2S1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367383 608343643 /nfs/dbraw/zinc/34/36/43/608343643.db2.gz OODKCTKDGCLBID-MRXNPFEDSA-N -1 3 385.880 3.590 20 0 GHADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376220 608345647 /nfs/dbraw/zinc/34/56/47/608345647.db2.gz DIXTZJCAXSKJPK-UHFFFAOYSA-N -1 3 399.735 3.743 20 0 GHADHM CCN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376220 608345650 /nfs/dbraw/zinc/34/56/50/608345650.db2.gz DIXTZJCAXSKJPK-UHFFFAOYSA-N -1 3 399.735 3.743 20 0 GHADHM CN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCCC1 ZINC000825820972 608356437 /nfs/dbraw/zinc/35/64/37/608356437.db2.gz ZJFJMXBHCZYXBI-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCCC1 ZINC000825820972 608356439 /nfs/dbraw/zinc/35/64/39/608356439.db2.gz ZJFJMXBHCZYXBI-UHFFFAOYSA-N -1 3 376.464 3.618 20 0 GHADHM CC[C@H](C)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825061329 608356503 /nfs/dbraw/zinc/35/65/03/608356503.db2.gz WZVJVNZBMBAYFM-HNNXBMFYSA-N -1 3 378.480 3.721 20 0 GHADHM CC[C@H](C)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825061329 608356505 /nfs/dbraw/zinc/35/65/05/608356505.db2.gz WZVJVNZBMBAYFM-HNNXBMFYSA-N -1 3 378.480 3.721 20 0 GHADHM C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824936704 608358746 /nfs/dbraw/zinc/35/87/46/608358746.db2.gz LHGIIJCJSBJQPQ-OAHLLOKOSA-N -1 3 376.464 3.618 20 0 GHADHM C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824936704 608358748 /nfs/dbraw/zinc/35/87/48/608358748.db2.gz LHGIIJCJSBJQPQ-OAHLLOKOSA-N -1 3 376.464 3.618 20 0 GHADHM CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccc(F)cc1 ZINC000825796753 608399459 /nfs/dbraw/zinc/39/94/59/608399459.db2.gz MEUUOUURPJKVAC-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccc(F)cc1 ZINC000825796753 608399460 /nfs/dbraw/zinc/39/94/60/608399460.db2.gz MEUUOUURPJKVAC-UHFFFAOYSA-N -1 3 399.430 3.716 20 0 GHADHM c1ccc(-c2nsc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000823867572 608441240 /nfs/dbraw/zinc/44/12/40/608441240.db2.gz CJQRINZUNNWLQK-UHFFFAOYSA-N -1 3 387.472 3.679 20 0 GHADHM c1ccc(-c2nsc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000823867572 608441242 /nfs/dbraw/zinc/44/12/42/608441242.db2.gz CJQRINZUNNWLQK-UHFFFAOYSA-N -1 3 387.472 3.679 20 0 GHADHM O=C(OC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826461897 608457074 /nfs/dbraw/zinc/45/70/74/608457074.db2.gz JKYUUIOYYUNKGV-UHFFFAOYSA-N -1 3 380.351 3.793 20 0 GHADHM O=C(OC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826461897 608457076 /nfs/dbraw/zinc/45/70/76/608457076.db2.gz JKYUUIOYYUNKGV-UHFFFAOYSA-N -1 3 380.351 3.793 20 0 GHADHM Cc1cc(F)cc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826267868 608472715 /nfs/dbraw/zinc/47/27/15/608472715.db2.gz ACYPYOGWSBOCAU-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1cc(F)cc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826267868 608472716 /nfs/dbraw/zinc/47/27/16/608472716.db2.gz ACYPYOGWSBOCAU-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM O=C(c1ccc2ccccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473715 608479313 /nfs/dbraw/zinc/47/93/13/608479313.db2.gz KEJGVKKLWBVTMB-UHFFFAOYSA-N -1 3 381.439 3.949 20 0 GHADHM O=C(c1ccc2ccccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473715 608479315 /nfs/dbraw/zinc/47/93/15/608479315.db2.gz KEJGVKKLWBVTMB-UHFFFAOYSA-N -1 3 381.439 3.949 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(c2ccccc2)CCC1 ZINC000826425380 608480924 /nfs/dbraw/zinc/48/09/24/608480924.db2.gz AUKSWFGMPLLXDC-UHFFFAOYSA-N -1 3 385.471 3.604 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(c2ccccc2)CCC1 ZINC000826425380 608480926 /nfs/dbraw/zinc/48/09/26/608480926.db2.gz AUKSWFGMPLLXDC-UHFFFAOYSA-N -1 3 385.471 3.604 20 0 GHADHM CC(C)[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824183975 608481716 /nfs/dbraw/zinc/48/17/16/608481716.db2.gz AAJWNUXAVAKWKA-OAQYLSRUSA-N -1 3 387.487 3.922 20 0 GHADHM CC(C)[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824183975 608481717 /nfs/dbraw/zinc/48/17/17/608481717.db2.gz AAJWNUXAVAKWKA-OAQYLSRUSA-N -1 3 387.487 3.922 20 0 GHADHM COc1ccccc1-c1nc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826218116 608487871 /nfs/dbraw/zinc/48/78/71/608487871.db2.gz PPXQHUUUTGFTNC-CYBMUJFWSA-N -1 3 392.488 3.850 20 0 GHADHM CCOc1cc(CN(C)Cc2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000825616007 608520677 /nfs/dbraw/zinc/52/06/77/608520677.db2.gz SOJAALURJMSDKR-UHFFFAOYSA-N -1 3 395.435 3.560 20 0 GHADHM Fc1ccccc1-c1nc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000826377702 608532637 /nfs/dbraw/zinc/53/26/37/608532637.db2.gz BVQMOGHWJWEZRT-UHFFFAOYSA-N -1 3 392.463 3.908 20 0 GHADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1nc(-c2ccccc2)c[nH]1 ZINC000825149357 608540232 /nfs/dbraw/zinc/54/02/32/608540232.db2.gz XJKOSIYXYBSGTK-CQSZACIVSA-N -1 3 380.843 3.868 20 0 GHADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1nc(-c2ccccc2)c[nH]1 ZINC000825149357 608540235 /nfs/dbraw/zinc/54/02/35/608540235.db2.gz XJKOSIYXYBSGTK-CQSZACIVSA-N -1 3 380.843 3.868 20 0 GHADHM CC(C)(F)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000824161953 608541680 /nfs/dbraw/zinc/54/16/80/608541680.db2.gz AWJSZDUIQGASSN-UHFFFAOYSA-N -1 3 389.818 3.786 20 0 GHADHM CC(C)(F)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000824161953 608541682 /nfs/dbraw/zinc/54/16/82/608541682.db2.gz AWJSZDUIQGASSN-UHFFFAOYSA-N -1 3 389.818 3.786 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826420316 608547927 /nfs/dbraw/zinc/54/79/27/608547927.db2.gz HWLVAVKNFKHBDW-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1c(F)cc(Cl)cc1F ZINC000826420316 608547930 /nfs/dbraw/zinc/54/79/30/608547930.db2.gz HWLVAVKNFKHBDW-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM COCCN(Cc1cnc(C2CCCC2)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826158949 608567045 /nfs/dbraw/zinc/56/70/45/608567045.db2.gz KADKLOISKPHAJK-UHFFFAOYSA-N -1 3 398.536 3.629 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824899650 608576617 /nfs/dbraw/zinc/57/66/17/608576617.db2.gz MLDMXOYDWPOARV-XJKCOSOUSA-N -1 3 381.867 3.927 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824899650 608576618 /nfs/dbraw/zinc/57/66/18/608576618.db2.gz MLDMXOYDWPOARV-XJKCOSOUSA-N -1 3 381.867 3.927 20 0 GHADHM CCOc1cccc([C@H]2C[C@H]2Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000825649675 608588928 /nfs/dbraw/zinc/58/89/28/608588928.db2.gz UUSYSHXAIJZITE-ZIAGYGMSSA-N -1 3 390.369 3.647 20 0 GHADHM CCOc1cccc([C@H]2C[C@H]2Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000825649675 608588930 /nfs/dbraw/zinc/58/89/30/608588930.db2.gz UUSYSHXAIJZITE-ZIAGYGMSSA-N -1 3 390.369 3.647 20 0 GHADHM Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826299381 608591681 /nfs/dbraw/zinc/59/16/81/608591681.db2.gz BMXMRJNIVQHUFJ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826299381 608591683 /nfs/dbraw/zinc/59/16/83/608591683.db2.gz BMXMRJNIVQHUFJ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824910333 608596920 /nfs/dbraw/zinc/59/69/20/608596920.db2.gz XCXHXUHWUCXCIB-UONOGXRCSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824910333 608596922 /nfs/dbraw/zinc/59/69/22/608596922.db2.gz XCXHXUHWUCXCIB-UONOGXRCSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000824910326 608597022 /nfs/dbraw/zinc/59/70/22/608597022.db2.gz XCXHXUHWUCXCIB-KBPBESRZSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000824910326 608597023 /nfs/dbraw/zinc/59/70/23/608597023.db2.gz XCXHXUHWUCXCIB-KBPBESRZSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000824738781 608823908 /nfs/dbraw/zinc/82/39/08/608823908.db2.gz RCVUWAXMXQTGEY-IAQYHMDHSA-N -1 3 398.385 3.688 20 0 GHADHM CCn1c2ccccc2nc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825787530 608857014 /nfs/dbraw/zinc/85/70/14/608857014.db2.gz HFHUIAMNIFCLNH-UHFFFAOYSA-N -1 3 385.475 3.526 20 0 GHADHM O=C(Nc1ncccc1Cl)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826460564 608874952 /nfs/dbraw/zinc/87/49/52/608874952.db2.gz IINQOKZSNNFWLY-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ncccc1Cl)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826460564 608874954 /nfs/dbraw/zinc/87/49/54/608874954.db2.gz IINQOKZSNNFWLY-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826213646 609145282 /nfs/dbraw/zinc/14/52/82/609145282.db2.gz FSBROOLBYQXZET-CQSZACIVSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826213646 609145283 /nfs/dbraw/zinc/14/52/83/609145283.db2.gz FSBROOLBYQXZET-CQSZACIVSA-N -1 3 388.427 3.875 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826454056 609159125 /nfs/dbraw/zinc/15/91/25/609159125.db2.gz IHLYIEMXKCQFIP-DZZUKKPASA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826454056 609159127 /nfs/dbraw/zinc/15/91/27/609159127.db2.gz IHLYIEMXKCQFIP-DZZUKKPASA-N -1 3 378.411 3.716 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C(C)C)no2)c1-c1nnn[n-]1 ZINC000826234141 609166540 /nfs/dbraw/zinc/16/65/40/609166540.db2.gz JNJJGEJGSLFCQQ-UHFFFAOYSA-N -1 3 391.435 3.638 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C(C)C)no2)c1-c1nn[n-]n1 ZINC000826234141 609166541 /nfs/dbraw/zinc/16/65/41/609166541.db2.gz JNJJGEJGSLFCQQ-UHFFFAOYSA-N -1 3 391.435 3.638 20 0 GHADHM Cc1cc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)oc1C ZINC000826260661 609169023 /nfs/dbraw/zinc/16/90/23/609169023.db2.gz ZWERLEPWPCGKSG-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM Cc1cc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)oc1C ZINC000826260661 609169025 /nfs/dbraw/zinc/16/90/25/609169025.db2.gz ZWERLEPWPCGKSG-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826376202 609169660 /nfs/dbraw/zinc/16/96/60/609169660.db2.gz SOCXIHNHWSHTHR-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826376202 609169661 /nfs/dbraw/zinc/16/96/61/609169661.db2.gz SOCXIHNHWSHTHR-KRWDZBQOSA-N -1 3 376.395 3.880 20 0 GHADHM COCCOc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826162709 609182599 /nfs/dbraw/zinc/18/25/99/609182599.db2.gz OSMZFCMXCKKYPG-SFHVURJKSA-N -1 3 383.427 3.521 20 0 GHADHM COCCOc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826162709 609182600 /nfs/dbraw/zinc/18/26/00/609182600.db2.gz OSMZFCMXCKKYPG-SFHVURJKSA-N -1 3 383.427 3.521 20 0 GHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@H]2CCCO2)c1 ZINC000826291892 609182648 /nfs/dbraw/zinc/18/26/48/609182648.db2.gz ZZDZWLWAVXVMTP-MAUKXSAKSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@H]2CCCO2)c1 ZINC000826291892 609182650 /nfs/dbraw/zinc/18/26/50/609182650.db2.gz ZZDZWLWAVXVMTP-MAUKXSAKSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1cnc([C@H](C)NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000826317743 609201445 /nfs/dbraw/zinc/20/14/45/609201445.db2.gz MJHNQEBOADYNTI-HNNXBMFYSA-N -1 3 390.447 3.593 20 0 GHADHM Cc1cnc([C@H](C)NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000826317743 609201446 /nfs/dbraw/zinc/20/14/46/609201446.db2.gz MJHNQEBOADYNTI-HNNXBMFYSA-N -1 3 390.447 3.593 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824348045 609208362 /nfs/dbraw/zinc/20/83/62/609208362.db2.gz XUHGFWCPIKKWPJ-LJQANCHMSA-N -1 3 379.464 3.786 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824348045 609208364 /nfs/dbraw/zinc/20/83/64/609208364.db2.gz XUHGFWCPIKKWPJ-LJQANCHMSA-N -1 3 379.464 3.786 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272749 609219693 /nfs/dbraw/zinc/21/96/93/609219693.db2.gz ZKTXHEDCYJFNJI-QGZVFWFLSA-N -1 3 397.504 3.738 20 0 GHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272749 609219695 /nfs/dbraw/zinc/21/96/95/609219695.db2.gz ZKTXHEDCYJFNJI-QGZVFWFLSA-N -1 3 397.504 3.738 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385672 609233581 /nfs/dbraw/zinc/23/35/81/609233581.db2.gz YWVGZUIQYQEVRT-CHWSQXEVSA-N -1 3 397.866 3.606 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385672 609233583 /nfs/dbraw/zinc/23/35/83/609233583.db2.gz YWVGZUIQYQEVRT-CHWSQXEVSA-N -1 3 397.866 3.606 20 0 GHADHM O=C(OCc1ccc(CF)cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826465630 609241306 /nfs/dbraw/zinc/24/13/06/609241306.db2.gz VBPHQFHMCGQEMQ-UHFFFAOYSA-N -1 3 380.301 3.712 20 0 GHADHM O=C(OCc1ccc(CF)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826465630 609241308 /nfs/dbraw/zinc/24/13/08/609241308.db2.gz VBPHQFHMCGQEMQ-UHFFFAOYSA-N -1 3 380.301 3.712 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825148221 609242368 /nfs/dbraw/zinc/24/23/68/609242368.db2.gz OSQZIMQNQIOUEW-IBGZPJMESA-N -1 3 396.470 3.530 20 0 GHADHM CC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825148221 609242369 /nfs/dbraw/zinc/24/23/69/609242369.db2.gz OSQZIMQNQIOUEW-IBGZPJMESA-N -1 3 396.470 3.530 20 0 GHADHM C[C@H](Nc1cccc2c1CN(c1ccccn1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824662582 609252868 /nfs/dbraw/zinc/25/28/68/609252868.db2.gz NPAZKESFYWZXNT-HNNXBMFYSA-N -1 3 383.459 3.955 20 0 GHADHM C[C@H](Nc1cccc2c1CN(c1ccccn1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824662582 609252869 /nfs/dbraw/zinc/25/28/69/609252869.db2.gz NPAZKESFYWZXNT-HNNXBMFYSA-N -1 3 383.459 3.955 20 0 GHADHM CC[C@H](c1nnc(NCc2ccc(-c3nnn[n-]3)s2)s1)c1ccccc1 ZINC000825160311 609265962 /nfs/dbraw/zinc/26/59/62/609265962.db2.gz ZKRRKOFOWHGQAB-ZDUSSCGKSA-N -1 3 383.506 3.934 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCc2ccccc2)nc1 ZINC000826371588 609266153 /nfs/dbraw/zinc/26/61/53/609266153.db2.gz LWGIUHLWYOFMFR-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCc2ccccc2)nc1 ZINC000826371588 609266154 /nfs/dbraw/zinc/26/61/54/609266154.db2.gz LWGIUHLWYOFMFR-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1nnc(Cc2cccc3ccccc32)o1 ZINC000826522552 609266600 /nfs/dbraw/zinc/26/66/00/609266600.db2.gz GRKHWXJCELQSQB-UHFFFAOYSA-N -1 3 389.444 3.667 20 0 GHADHM Clc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000826354011 609269725 /nfs/dbraw/zinc/26/97/25/609269725.db2.gz MQVIWZYGIXYAIJ-UHFFFAOYSA-N -1 3 375.263 3.733 20 0 GHADHM Clc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000826354011 609269726 /nfs/dbraw/zinc/26/97/26/609269726.db2.gz MQVIWZYGIXYAIJ-UHFFFAOYSA-N -1 3 375.263 3.733 20 0 GHADHM C[C@H](Nc1ccccc1I)c1cccc(-c2nnn[n-]2)c1 ZINC000824662716 609271636 /nfs/dbraw/zinc/27/16/36/609271636.db2.gz QEWPSFQCXHSKBA-JTQLQIEISA-N -1 3 391.216 3.644 20 0 GHADHM C[C@H](Nc1ccccc1I)c1cccc(-c2nn[n-]n2)c1 ZINC000824662716 609271638 /nfs/dbraw/zinc/27/16/38/609271638.db2.gz QEWPSFQCXHSKBA-JTQLQIEISA-N -1 3 391.216 3.644 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@H](C)C2 ZINC000825621386 609273723 /nfs/dbraw/zinc/27/37/23/609273723.db2.gz RSVUUYFHRIAPNG-NEPJUHHUSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nn[n-]n3)c(F)c1)O[C@H](C)C2 ZINC000825621386 609273725 /nfs/dbraw/zinc/27/37/25/609273725.db2.gz RSVUUYFHRIAPNG-NEPJUHHUSA-N -1 3 383.427 3.901 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826211069 609275631 /nfs/dbraw/zinc/27/56/31/609275631.db2.gz NYLLIGDNWIMYEY-HNNXBMFYSA-N -1 3 387.390 3.966 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826211069 609275632 /nfs/dbraw/zinc/27/56/32/609275632.db2.gz NYLLIGDNWIMYEY-HNNXBMFYSA-N -1 3 387.390 3.966 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)cs1 ZINC000824707747 609285621 /nfs/dbraw/zinc/28/56/21/609285621.db2.gz VHGDQNABQDTYMC-NSHDSACASA-N -1 3 399.476 3.662 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC000824707747 609285623 /nfs/dbraw/zinc/28/56/23/609285623.db2.gz VHGDQNABQDTYMC-NSHDSACASA-N -1 3 399.476 3.662 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826340362 609296670 /nfs/dbraw/zinc/29/66/70/609296670.db2.gz VAXNOOSQDYFEDT-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nscc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826340362 609296672 /nfs/dbraw/zinc/29/66/72/609296672.db2.gz VAXNOOSQDYFEDT-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825440019 609296868 /nfs/dbraw/zinc/29/68/68/609296868.db2.gz YOSXDBQZMPPNJO-UHFFFAOYSA-N -1 3 376.247 3.836 20 0 GHADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825440019 609296870 /nfs/dbraw/zinc/29/68/70/609296870.db2.gz YOSXDBQZMPPNJO-UHFFFAOYSA-N -1 3 376.247 3.836 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455806 609301776 /nfs/dbraw/zinc/30/17/76/609301776.db2.gz FLHXOALNDWHESG-UHFFFAOYSA-N -1 3 380.795 3.791 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455806 609301777 /nfs/dbraw/zinc/30/17/77/609301777.db2.gz FLHXOALNDWHESG-UHFFFAOYSA-N -1 3 380.795 3.791 20 0 GHADHM Cc1cc(Br)ccc1CSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000826324647 609308056 /nfs/dbraw/zinc/30/80/56/609308056.db2.gz ZMMZNLDYEAVMQE-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM Cc1cc(Br)ccc1CSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826324647 609308059 /nfs/dbraw/zinc/30/80/59/609308059.db2.gz ZMMZNLDYEAVMQE-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824457041 609312296 /nfs/dbraw/zinc/31/22/96/609312296.db2.gz CUANUSHVDYJZKU-AWEZNQCLSA-N -1 3 389.415 3.613 20 0 GHADHM C[C@@H](Cc1ccco1)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824457041 609312298 /nfs/dbraw/zinc/31/22/98/609312298.db2.gz CUANUSHVDYJZKU-AWEZNQCLSA-N -1 3 389.415 3.613 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826155329 609314815 /nfs/dbraw/zinc/31/48/15/609314815.db2.gz MLDMXVQGRAODCI-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826155329 609314818 /nfs/dbraw/zinc/31/48/18/609314818.db2.gz MLDMXVQGRAODCI-CQSZACIVSA-N -1 3 381.436 3.660 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826434683 609315090 /nfs/dbraw/zinc/31/50/90/609315090.db2.gz UXBYSFPNYZDBEV-OAHLLOKOSA-N -1 3 375.432 3.745 20 0 GHADHM O=C(NC[C@@H]1CC=CCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826434683 609315093 /nfs/dbraw/zinc/31/50/93/609315093.db2.gz UXBYSFPNYZDBEV-OAHLLOKOSA-N -1 3 375.432 3.745 20 0 GHADHM CC(C)(C)OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824119228 609315888 /nfs/dbraw/zinc/31/58/88/609315888.db2.gz DDJJPNIKSPXLIQ-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CC(C)(C)OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824119228 609315890 /nfs/dbraw/zinc/31/58/90/609315890.db2.gz DDJJPNIKSPXLIQ-UHFFFAOYSA-N -1 3 399.882 3.868 20 0 GHADHM CCCCN(CCOC)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825285464 609317687 /nfs/dbraw/zinc/31/76/87/609317687.db2.gz WVIPUDOFEQIJMK-UHFFFAOYSA-N -1 3 395.463 3.548 20 0 GHADHM CCCCN(CCOC)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825285464 609317688 /nfs/dbraw/zinc/31/76/88/609317688.db2.gz WVIPUDOFEQIJMK-UHFFFAOYSA-N -1 3 395.463 3.548 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC000824936565 609321363 /nfs/dbraw/zinc/32/13/63/609321363.db2.gz JKONGZZGNPQEPR-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC000824936565 609321365 /nfs/dbraw/zinc/32/13/65/609321365.db2.gz JKONGZZGNPQEPR-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM Fc1cccc2c1OCCC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826378096 609324686 /nfs/dbraw/zinc/32/46/86/609324686.db2.gz VBMMDOYBQUOJOE-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1cccc2c1OCCC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826378096 609324688 /nfs/dbraw/zinc/32/46/88/609324688.db2.gz VBMMDOYBQUOJOE-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c(C)n1 ZINC000826291342 609327511 /nfs/dbraw/zinc/32/75/11/609327511.db2.gz AULPTGWXARDIIC-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c(C)n1 ZINC000826291342 609327512 /nfs/dbraw/zinc/32/75/12/609327512.db2.gz AULPTGWXARDIIC-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826455473 609336377 /nfs/dbraw/zinc/33/63/77/609336377.db2.gz PQNMYDFPHUTXAU-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM O=C(Nc1ccc2c(c1)COC2)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826455473 609336379 /nfs/dbraw/zinc/33/63/79/609336379.db2.gz PQNMYDFPHUTXAU-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000825621147 609349668 /nfs/dbraw/zinc/34/96/68/609349668.db2.gz NQDGZDDNMHKKSY-NWDGAFQWSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000825621147 609349669 /nfs/dbraw/zinc/34/96/69/609349669.db2.gz NQDGZDDNMHKKSY-NWDGAFQWSA-N -1 3 383.427 3.901 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000826265447 609350105 /nfs/dbraw/zinc/35/01/05/609350105.db2.gz ZKXOFLRDJCBCHB-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2cccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000826265447 609350107 /nfs/dbraw/zinc/35/01/07/609350107.db2.gz ZKXOFLRDJCBCHB-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1c(F)cccc1F ZINC000824613562 609368125 /nfs/dbraw/zinc/36/81/25/609368125.db2.gz VDVPADWYOTZYPS-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1c(F)cccc1F ZINC000824613562 609368129 /nfs/dbraw/zinc/36/81/29/609368129.db2.gz VDVPADWYOTZYPS-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc(F)cc1F ZINC000824613546 609368228 /nfs/dbraw/zinc/36/82/28/609368228.db2.gz UWMPJPBCKGQUKO-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(F)cc1F ZINC000824613546 609368230 /nfs/dbraw/zinc/36/82/30/609368230.db2.gz UWMPJPBCKGQUKO-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824216217 609370357 /nfs/dbraw/zinc/37/03/57/609370357.db2.gz PEASKQAMJNUBPK-JSGCOSHPSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824216217 609370358 /nfs/dbraw/zinc/37/03/58/609370358.db2.gz PEASKQAMJNUBPK-JSGCOSHPSA-N -1 3 389.525 3.587 20 0 GHADHM CN(CC1CCCC1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825909047 609378801 /nfs/dbraw/zinc/37/88/01/609378801.db2.gz QIYXWSRUCKCAAV-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CN(CC1CCCC1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825909047 609378802 /nfs/dbraw/zinc/37/88/02/609378802.db2.gz QIYXWSRUCKCAAV-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cccnc1 ZINC000824059509 609395684 /nfs/dbraw/zinc/39/56/84/609395684.db2.gz YWQWBZIVUXNVMH-UHFFFAOYSA-N -1 3 398.470 3.523 20 0 GHADHM CC(C)(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824059509 609395686 /nfs/dbraw/zinc/39/56/86/609395686.db2.gz YWQWBZIVUXNVMH-UHFFFAOYSA-N -1 3 398.470 3.523 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)s2)o1 ZINC000826273876 609397446 /nfs/dbraw/zinc/39/74/46/609397446.db2.gz YDPTXAXMSWEPEP-UHFFFAOYSA-N -1 3 391.456 3.916 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)s2)o1 ZINC000826273876 609397447 /nfs/dbraw/zinc/39/74/47/609397447.db2.gz YDPTXAXMSWEPEP-UHFFFAOYSA-N -1 3 391.456 3.916 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@@H]1F ZINC000824956956 609398533 /nfs/dbraw/zinc/39/85/33/609398533.db2.gz UWYAMYGIQTWWSO-BBRMVZONSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@@H]1F ZINC000824956956 609398536 /nfs/dbraw/zinc/39/85/36/609398536.db2.gz UWYAMYGIQTWWSO-BBRMVZONSA-N -1 3 397.479 3.838 20 0 GHADHM Fc1cccc(F)c1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826377483 609445111 /nfs/dbraw/zinc/44/51/11/609445111.db2.gz UDOVOGSIXQSOQQ-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457259 609461855 /nfs/dbraw/zinc/46/18/55/609461855.db2.gz TULUDLFFIXQRGY-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457259 609461856 /nfs/dbraw/zinc/46/18/56/609461856.db2.gz TULUDLFFIXQRGY-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2)no1 ZINC000824358732 609473939 /nfs/dbraw/zinc/47/39/39/609473939.db2.gz PJMSIXCDZKLDJQ-HNNXBMFYSA-N -1 3 396.455 3.522 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2)no1 ZINC000824358732 609473940 /nfs/dbraw/zinc/47/39/40/609473940.db2.gz PJMSIXCDZKLDJQ-HNNXBMFYSA-N -1 3 396.455 3.522 20 0 GHADHM CCOc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc(Cl)c1OC ZINC000825615812 609480604 /nfs/dbraw/zinc/48/06/04/609480604.db2.gz LSINIOHLWCATNW-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc(Cl)c1OC ZINC000825615812 609480605 /nfs/dbraw/zinc/48/06/05/609480605.db2.gz LSINIOHLWCATNW-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000508605368 609505798 /nfs/dbraw/zinc/50/57/98/609505798.db2.gz LAFYEPCAWXGNLR-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000508605368 609505799 /nfs/dbraw/zinc/50/57/99/609505799.db2.gz LAFYEPCAWXGNLR-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826456374 609507843 /nfs/dbraw/zinc/50/78/43/609507843.db2.gz AENQLIFEICVVKP-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826456374 609507846 /nfs/dbraw/zinc/50/78/46/609507846.db2.gz AENQLIFEICVVKP-UHFFFAOYSA-N -1 3 384.371 3.521 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826452004 609607065 /nfs/dbraw/zinc/60/70/65/609607065.db2.gz FELSVGNKTAQQQU-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826452004 609607066 /nfs/dbraw/zinc/60/70/66/609607066.db2.gz FELSVGNKTAQQQU-CYBMUJFWSA-N -1 3 398.295 3.570 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1Cl ZINC000824712842 609629221 /nfs/dbraw/zinc/62/92/21/609629221.db2.gz DIPSFDNIQLCBKE-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1Cl ZINC000824712842 609629222 /nfs/dbraw/zinc/62/92/22/609629222.db2.gz DIPSFDNIQLCBKE-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000121398164 837431773 /nfs/dbraw/zinc/43/17/73/837431773.db2.gz MIULBVOPEHXNLF-GOSISDBHSA-N -1 3 388.489 3.612 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1[O-] ZINC000412138976 844011463 /nfs/dbraw/zinc/01/14/63/844011463.db2.gz YVEURRBKPZJXLS-UHFFFAOYSA-N -1 3 383.444 3.961 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)cc1 ZINC000414392116 837667217 /nfs/dbraw/zinc/66/72/17/837667217.db2.gz CUJSXPKDEVIVHV-ZDUSSCGKSA-N -1 3 378.469 3.842 20 0 GHADHM Cc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)c(Cl)cc1F ZINC000178051647 837690404 /nfs/dbraw/zinc/69/04/04/837690404.db2.gz UVZBSQSIEJEOMB-UHFFFAOYSA-N -1 3 391.855 3.822 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008202643 834500601 /nfs/dbraw/zinc/50/06/01/834500601.db2.gz KYILCDNCGSPKJK-UHFFFAOYSA-N -1 3 376.453 3.689 20 0 GHADHM O=C(NCCc1cc2ccccc2s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000579748554 834525429 /nfs/dbraw/zinc/52/54/29/834525429.db2.gz CMOKBBCQYJFKOR-GOSISDBHSA-N -1 3 394.496 3.570 20 0 GHADHM COc1ccc(COCc2cccc(NC(=O)c3cccc4n[n-]nc43)c2)cc1 ZINC000187524233 837781608 /nfs/dbraw/zinc/78/16/08/837781608.db2.gz DURUMTPFPSOBNC-UHFFFAOYSA-N -1 3 388.427 3.936 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCC3C[C@@H](C)O[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000583635584 834781952 /nfs/dbraw/zinc/78/19/52/834781952.db2.gz NATKPUGENQDXTO-ZIAGYGMSSA-N -1 3 384.480 3.873 20 0 GHADHM Cc1ccc(SC2CCCC2)c(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000890530588 834793837 /nfs/dbraw/zinc/79/38/37/834793837.db2.gz LDJNTUIBSFUDJN-HNNXBMFYSA-N -1 3 398.532 3.534 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000177180939 837810989 /nfs/dbraw/zinc/81/09/89/837810989.db2.gz BANMWECDAMBDAM-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1cccc(Cl)c1F ZINC000146269971 834821530 /nfs/dbraw/zinc/82/15/30/834821530.db2.gz LFVCYYPETUTUOS-KDOFPFPSSA-N -1 3 383.872 3.925 20 0 GHADHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000511243025 834850381 /nfs/dbraw/zinc/85/03/81/834850381.db2.gz SZZPFKRYABCBEY-UHFFFAOYSA-N -1 3 399.818 3.513 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCO1 ZINC000935277294 834872275 /nfs/dbraw/zinc/87/22/75/834872275.db2.gz JYLDXSUAYSJXRC-XIKOKIGWSA-N -1 3 378.419 3.520 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OCc3ccncc3)cc2)cc1 ZINC000683172011 834909468 /nfs/dbraw/zinc/90/94/68/834909468.db2.gz SZOWVVDHOBPBDX-QFIPXVFZSA-N -1 3 392.455 3.975 20 0 GHADHM O=C([O-])[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(Br)c1 ZINC000683172720 834915931 /nfs/dbraw/zinc/91/59/31/834915931.db2.gz CLEKDBWQMSKHPV-KRWDZBQOSA-N -1 3 386.249 3.755 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000472299183 834919596 /nfs/dbraw/zinc/91/95/96/834919596.db2.gz KBXPAGZHZZZVGX-SUMWQHHRSA-N -1 3 383.485 4.000 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)no1 ZINC000151118918 834923206 /nfs/dbraw/zinc/92/32/06/834923206.db2.gz DQJOONKQEMGTKQ-UHFFFAOYSA-N -1 3 387.371 3.798 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128969876 834938606 /nfs/dbraw/zinc/93/86/06/834938606.db2.gz BKMIIZNUDFSSRG-APPDUMDISA-N -1 3 378.831 3.968 20 0 GHADHM CC[C@H](CN(CC)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000583758422 834990076 /nfs/dbraw/zinc/99/00/76/834990076.db2.gz IFNOXTZTFRQEGP-PKOBYXMFSA-N -1 3 382.504 3.905 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)sc1Cl ZINC000583770542 835005226 /nfs/dbraw/zinc/00/52/26/835005226.db2.gz IMMBALLWFVYXBD-GFCCVEGCSA-N -1 3 380.318 3.765 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1C ZINC000583793627 835044465 /nfs/dbraw/zinc/04/44/65/835044465.db2.gz PROKCHOZQJDAEU-DJJJIMSYSA-N -1 3 388.489 3.566 20 0 GHADHM [O-]c1cccnc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000583823815 835097562 /nfs/dbraw/zinc/09/75/62/835097562.db2.gz JCODDHZLBUYMKZ-UHFFFAOYSA-N -1 3 395.532 3.705 20 0 GHADHM O=C(N[N-]C(=O)c1ccc(F)cc1Br)c1sccc1C1CC1 ZINC000067208198 844024802 /nfs/dbraw/zinc/02/48/02/844024802.db2.gz HORYKKWJSWSVLB-UHFFFAOYSA-N -1 3 383.242 3.602 20 0 GHADHM COc1ccccc1C/C(C)=C\C(=O)NCc1ccc([O-])c(Br)c1 ZINC000254974341 835474965 /nfs/dbraw/zinc/47/49/65/835474965.db2.gz DOMLBJGFANEPOF-RAXLEYEMSA-N -1 3 390.277 3.969 20 0 GHADHM Cc1oc(-c2ccco2)nc1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151539467 835503235 /nfs/dbraw/zinc/50/32/35/835503235.db2.gz KYYITFUPCKKADA-UHFFFAOYSA-N -1 3 391.221 3.570 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c1 ZINC000584204438 835758322 /nfs/dbraw/zinc/75/83/22/835758322.db2.gz KXPQARFKAOMRPT-UHFFFAOYSA-N -1 3 377.796 3.574 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CC2(CC(F)C2)C1 ZINC000683261950 835793197 /nfs/dbraw/zinc/79/31/97/835793197.db2.gz SCHFLKPAPNEJIK-UHFFFAOYSA-N -1 3 399.647 3.518 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)c(Br)c1 ZINC001211615188 835936716 /nfs/dbraw/zinc/93/67/16/835936716.db2.gz ZEEINHRRGUNNLY-SNVBAGLBSA-N -1 3 396.734 3.647 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180056390 836048545 /nfs/dbraw/zinc/04/85/45/836048545.db2.gz OANSMCVSAQWWHP-CYBMUJFWSA-N -1 3 378.394 3.546 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)NC2CCCC2)cnn1-c1cccc(Cl)c1 ZINC000065919714 836223031 /nfs/dbraw/zinc/22/30/31/836223031.db2.gz PTUZEZMILKBWDG-UHFFFAOYSA-N -1 3 389.887 3.536 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)nn1-c1c(F)cccc1F ZINC000471241591 836226564 /nfs/dbraw/zinc/22/65/64/836226564.db2.gz CNXMNAIWQQFMBX-UHFFFAOYSA-N -1 3 379.370 3.523 20 0 GHADHM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000066578382 836330545 /nfs/dbraw/zinc/33/05/45/836330545.db2.gz DTAXZUNGKYJIKQ-ACCUITESSA-N -1 3 376.865 3.879 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000174612226 836491171 /nfs/dbraw/zinc/49/11/71/836491171.db2.gz WXLWBWRXMCSAKM-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c1 ZINC000052025329 844178220 /nfs/dbraw/zinc/17/82/20/844178220.db2.gz YCYDNMGFBLPLLB-UHFFFAOYSA-N -1 3 395.546 3.736 20 0 GHADHM O=c1[n-]c(CN2CCC(c3nc4ccccc4[nH]3)CC2)nc2c3ccccc3oc21 ZINC000109764555 836551553 /nfs/dbraw/zinc/55/15/53/836551553.db2.gz YYDGPLSVYYZPCJ-UHFFFAOYSA-N -1 3 399.454 3.925 20 0 GHADHM Cc1cnc(C2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)s1 ZINC000683349935 836584329 /nfs/dbraw/zinc/58/43/29/836584329.db2.gz VRBPPGATTOBLLG-UHFFFAOYSA-N -1 3 389.427 3.591 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCC1(C)CCC1 ZINC000175107911 836655125 /nfs/dbraw/zinc/65/51/25/836655125.db2.gz FNIZPLFDUJBHBY-UHFFFAOYSA-N -1 3 390.480 3.855 20 0 GHADHM C[C@H](SCC(=O)NC1CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000253612659 844210626 /nfs/dbraw/zinc/21/06/26/844210626.db2.gz JEBQBAVSRWMAFG-VIFPVBQESA-N -1 3 375.475 3.730 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc(N)c(Cl)c3)nc(=O)c2c1C ZINC000728630930 836934501 /nfs/dbraw/zinc/93/45/01/836934501.db2.gz YZAPXTVOFABGDT-SSDOTTSWSA-N -1 3 378.841 3.562 20 0 GHADHM CC(C)OCC(C)(C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000413999631 837056411 /nfs/dbraw/zinc/05/64/11/837056411.db2.gz LKGKMCSPQWZNMU-FQEVSTJZSA-N -1 3 398.503 3.573 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)c(=O)[n-]1 ZINC000121360300 837302326 /nfs/dbraw/zinc/30/23/26/837302326.db2.gz ZQJUSSULIVXLAY-UHFFFAOYSA-N -1 3 394.500 3.645 20 0 GHADHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000063148952 844263785 /nfs/dbraw/zinc/26/37/85/844263785.db2.gz UCEKJVKFJRVMPA-UHFFFAOYSA-N -1 3 384.860 3.762 20 0 GHADHM CC(C)N(CCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C ZINC000728934471 844264460 /nfs/dbraw/zinc/26/44/60/844264460.db2.gz CUDLQUGEYFFMNO-UHFFFAOYSA-N -1 3 396.962 3.715 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000177396746 837938010 /nfs/dbraw/zinc/93/80/10/837938010.db2.gz CRMQSNOLVKNYHN-UHFFFAOYSA-N -1 3 394.393 3.895 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(OCc2cccc(F)c2)c1 ZINC000683610820 837962909 /nfs/dbraw/zinc/96/29/09/837962909.db2.gz DHYDYOHRUQEWTD-HNNXBMFYSA-N -1 3 382.313 3.782 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000613549242 837972976 /nfs/dbraw/zinc/97/29/76/837972976.db2.gz OJIBBAUFORCNGP-UHFFFAOYSA-N -1 3 384.451 3.643 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000121554573 838016378 /nfs/dbraw/zinc/01/63/78/838016378.db2.gz SFSHQSKEMHYHDR-AWEZNQCLSA-N -1 3 382.460 3.834 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000728260775 838068774 /nfs/dbraw/zinc/06/87/74/838068774.db2.gz OSRGJWACYHLYDD-RHSMWYFYSA-N -1 3 384.517 3.601 20 0 GHADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000579962094 838082444 /nfs/dbraw/zinc/08/24/44/838082444.db2.gz VDVJQAZJUPKDHP-GOSISDBHSA-N -1 3 387.863 3.555 20 0 GHADHM Cc1cccc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1[O-] ZINC000728261959 838100936 /nfs/dbraw/zinc/10/09/36/838100936.db2.gz YBRCRAOMWLOSOJ-UHFFFAOYSA-N -1 3 386.448 3.856 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024550233 838359057 /nfs/dbraw/zinc/35/90/57/838359057.db2.gz MQIQSLVSWIRQGI-UHFFFAOYSA-N -1 3 390.480 3.951 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cc(C4CCCC4)[nH]n3)cc2)cc(=O)[n-]1 ZINC000580020910 838406894 /nfs/dbraw/zinc/40/68/94/838406894.db2.gz CLNUMSBEAVYATG-UHFFFAOYSA-N -1 3 378.436 3.604 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2I)c1 ZINC000048652573 838417029 /nfs/dbraw/zinc/41/70/29/838417029.db2.gz VZQOORCRODMYHJ-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM CCOC(=O)C1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000179011889 838513608 /nfs/dbraw/zinc/51/36/08/838513608.db2.gz RWUJLRZDURBBMM-UHFFFAOYSA-N -1 3 382.441 3.951 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c([O-])cccc1O ZINC000180839955 838573519 /nfs/dbraw/zinc/57/35/19/838573519.db2.gz FUPANKJHZRNSAX-UHFFFAOYSA-N -1 3 383.231 3.505 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000628083063 838580683 /nfs/dbraw/zinc/58/06/83/838580683.db2.gz PNERJDFQOBSOCX-HNNXBMFYSA-N -1 3 376.250 3.677 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656056148 838608137 /nfs/dbraw/zinc/60/81/37/838608137.db2.gz CVVKHNYDIRIAPK-UOVKNHIHSA-N -1 3 381.885 3.666 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000533803310 838748726 /nfs/dbraw/zinc/74/87/26/838748726.db2.gz RRFMMBNTVOYSPV-ZBFHGGJFSA-N -1 3 390.480 3.793 20 0 GHADHM Cc1ncccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182539948 838752704 /nfs/dbraw/zinc/75/27/04/838752704.db2.gz PALRHLBEBNSDDA-FQEVSTJZSA-N -1 3 375.428 3.596 20 0 GHADHM CCOc1ccc([C@H](NC(=O)NCc2ncccc2[O-])C(C)C)cc1OCC ZINC000471537963 838844331 /nfs/dbraw/zinc/84/43/31/838844331.db2.gz CFXCMSUWYUTBHM-HXUWFJFHSA-N -1 3 387.480 3.781 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OC(C)(C)C)cn3)cc2)n1 ZINC000432887456 844387029 /nfs/dbraw/zinc/38/70/29/844387029.db2.gz HNSVDZWZBCHJDF-UHFFFAOYSA-N -1 3 378.432 3.570 20 0 GHADHM CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000536222415 839299726 /nfs/dbraw/zinc/29/97/26/839299726.db2.gz ZWUHEQWYIQGHNX-UHFFFAOYSA-N -1 3 388.880 3.920 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(C)OCCc4sccc43)nc2)n1 ZINC000377329932 839329352 /nfs/dbraw/zinc/32/93/52/839329352.db2.gz JYXVWAMMNSQKAZ-HXUWFJFHSA-N -1 3 382.489 3.768 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1)C(C)C ZINC000647123367 839424672 /nfs/dbraw/zinc/42/46/72/839424672.db2.gz RCNMPIDJICYQGW-GOSISDBHSA-N -1 3 391.493 3.743 20 0 GHADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000580492514 839667516 /nfs/dbraw/zinc/66/75/16/839667516.db2.gz JIADVBWFIGGADT-UHFFFAOYSA-N -1 3 383.432 3.712 20 0 GHADHM O=C(NCc1ccc(OCc2cccc(F)c2)cc1)NCc1ncccc1[O-] ZINC000471587273 839719359 /nfs/dbraw/zinc/71/93/59/839719359.db2.gz UITFDSNVOBIOIL-UHFFFAOYSA-N -1 3 381.407 3.505 20 0 GHADHM Cc1sc(CCNC(=O)c2cc(F)cc3n[n-]nc32)nc1-c1ccccc1 ZINC000431845999 839780901 /nfs/dbraw/zinc/78/09/01/839780901.db2.gz QQJIQHDFTFNSPN-UHFFFAOYSA-N -1 3 381.436 3.501 20 0 GHADHM COCCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCCC1 ZINC000471592612 839785449 /nfs/dbraw/zinc/78/54/49/839785449.db2.gz GMSLRBTYXPMQNP-UHFFFAOYSA-N -1 3 384.480 3.876 20 0 GHADHM CCO[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000510340848 840093857 /nfs/dbraw/zinc/09/38/57/840093857.db2.gz ZSBZCDMZMYFPQX-ZDUSSCGKSA-N -1 3 398.750 3.832 20 0 GHADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(/C=C/c4ccco4)s3)nn2)c1 ZINC000684058256 840209350 /nfs/dbraw/zinc/20/93/50/840209350.db2.gz ZAQMQBHMYMITDM-SNAWJCMRSA-N -1 3 396.407 3.582 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cn(C)nc2-c2ccccc2)sc1Cl ZINC000188170477 840336865 /nfs/dbraw/zinc/33/68/65/840336865.db2.gz KOJWQDOJYHLPNL-UHFFFAOYSA-N -1 3 381.910 3.589 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C[C@H](O)c1c(Cl)cccc1Cl ZINC000194756949 840344827 /nfs/dbraw/zinc/34/48/27/840344827.db2.gz DAAVWLIHMWJGJK-LBPRGKRZSA-N -1 3 375.202 3.638 20 0 GHADHM CCCOc1nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc2ccccc21 ZINC000513129896 844534211 /nfs/dbraw/zinc/53/42/11/844534211.db2.gz OBRQMADWSXTIIC-UHFFFAOYSA-N -1 3 399.472 3.647 20 0 GHADHM Cn1cc(CC(=O)[N-]OCc2ccc(F)cc2Br)c2ccccc21 ZINC000781879277 840420108 /nfs/dbraw/zinc/42/01/08/840420108.db2.gz JRJZMWHXNHWLNP-UHFFFAOYSA-N -1 3 391.240 3.870 20 0 GHADHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500418571 840453372 /nfs/dbraw/zinc/45/33/72/840453372.db2.gz CFTSQHIUMKJLFD-SMDDNHRTSA-N -1 3 386.926 3.699 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1 ZINC000278838346 840785538 /nfs/dbraw/zinc/78/55/38/840785538.db2.gz ZNOFSVSMJNQWGC-VWLOTQADSA-N -1 3 394.562 3.601 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000047417353 840798808 /nfs/dbraw/zinc/79/88/08/840798808.db2.gz CNDATAOEXASXDP-UHFFFAOYSA-N -1 3 390.486 3.636 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)c1 ZINC000047454460 840838453 /nfs/dbraw/zinc/83/84/53/840838453.db2.gz SZKRBILSLCVZRW-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1cccc(Cl)c1F ZINC000106300188 840883520 /nfs/dbraw/zinc/88/35/20/840883520.db2.gz RBNJIEAKTQNJSD-AWEZNQCLSA-N -1 3 386.876 3.578 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000525533690 840896068 /nfs/dbraw/zinc/89/60/68/840896068.db2.gz RBMJXQWHARVXOR-UHFFFAOYSA-N -1 3 391.489 3.563 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(I)ccc1[O-] ZINC000610490278 840954293 /nfs/dbraw/zinc/95/42/93/840954293.db2.gz JNYXODHWRGZMCA-CYBMUJFWSA-N -1 3 396.228 3.826 20 0 GHADHM Cc1nc(CCNCc2c(F)cccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000417550120 840992392 /nfs/dbraw/zinc/99/23/92/840992392.db2.gz UMRJVDIFNQWFSO-UHFFFAOYSA-N -1 3 378.347 3.520 20 0 GHADHM C[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)[C@@H]1C ZINC000183985461 841003741 /nfs/dbraw/zinc/00/37/41/841003741.db2.gz PVROOSHCKYBRHF-LZJOCLMNSA-N -1 3 380.488 3.900 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000512567852 844599579 /nfs/dbraw/zinc/59/95/79/844599579.db2.gz FDJJFKBTYXHUQL-UHFFFAOYSA-N -1 3 379.331 3.576 20 0 GHADHM Cc1cc(Br)cc(CN[C@@H](CC(F)F)C(=O)[O-])c1OC(F)F ZINC000417596098 841044874 /nfs/dbraw/zinc/04/48/74/841044874.db2.gz PPBKWLLSBCXTGC-VIFPVBQESA-N -1 3 388.155 3.557 20 0 GHADHM O=C([O-])CC[C@H]1CCCC[C@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000417628218 841067764 /nfs/dbraw/zinc/06/77/64/841067764.db2.gz OZRMWCCOPUKANR-MLGOLLRUSA-N -1 3 380.851 3.573 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417629952 841068605 /nfs/dbraw/zinc/06/86/05/841068605.db2.gz QMUPRAGZFBTXCF-GFCCVEGCSA-N -1 3 389.805 3.885 20 0 GHADHM CC(C)n1cc(CN[C@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417637820 841088325 /nfs/dbraw/zinc/08/83/25/841088325.db2.gz IRRXDWSAOVYDEK-WBMJQRKESA-N -1 3 380.286 3.778 20 0 GHADHM CCN(CC1CC1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430561293 841111437 /nfs/dbraw/zinc/11/14/37/841111437.db2.gz ZTGSEUJCIJBGPN-UHFFFAOYSA-N -1 3 383.673 3.816 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](C)c1c(C)noc1C ZINC000651612313 841130504 /nfs/dbraw/zinc/13/05/04/841130504.db2.gz JPAIDGFSSMHCRN-QMMMGPOBSA-N -1 3 393.328 3.506 20 0 GHADHM Cc1ccc(C2CC2)c(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000581425050 841388967 /nfs/dbraw/zinc/38/89/67/841388967.db2.gz UORHIEIPOUNGDO-UHFFFAOYSA-N -1 3 378.472 3.613 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1c(F)cncc1F ZINC000651704584 841405006 /nfs/dbraw/zinc/40/50/06/841405006.db2.gz OEACNKXVFZBALS-SSDOTTSWSA-N -1 3 397.266 3.532 20 0 GHADHM COCc1csc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000656565280 841416611 /nfs/dbraw/zinc/41/66/11/841416611.db2.gz KDRQUYNRVIETAE-HNNXBMFYSA-N -1 3 384.295 3.963 20 0 GHADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@H](C3CCCC3)C(F)(F)F)ccc21 ZINC000432221826 841539319 /nfs/dbraw/zinc/53/93/19/841539319.db2.gz RLMMTAHHANLEIK-MRXNPFEDSA-N -1 3 375.412 3.605 20 0 GHADHM Cn1c(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])nnc1C1CCC1 ZINC000129374684 841638091 /nfs/dbraw/zinc/63/80/91/841638091.db2.gz VXFHKRQYQBYHST-UHFFFAOYSA-N -1 3 378.432 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)n1 ZINC000510435636 841784804 /nfs/dbraw/zinc/78/48/04/841784804.db2.gz VKMUYFMVDUHFAF-AWEZNQCLSA-N -1 3 377.313 3.739 20 0 GHADHM CC(=O)CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000632415499 841847808 /nfs/dbraw/zinc/84/78/08/841847808.db2.gz HAMISZWDPSFGAY-UHFFFAOYSA-N -1 3 382.707 3.530 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000184176769 841860819 /nfs/dbraw/zinc/86/08/19/841860819.db2.gz YQUVHLWGTWMVIJ-SFHLNBCPSA-N -1 3 378.472 3.512 20 0 GHADHM CO[C@@H](CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000656757983 841892234 /nfs/dbraw/zinc/89/22/34/841892234.db2.gz XPFQQKQJWQOBND-MSOLQXFVSA-N -1 3 396.325 3.856 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000656767185 841899896 /nfs/dbraw/zinc/89/98/96/841899896.db2.gz DFTGQHKTZLHMSC-IAGOWNOFSA-N -1 3 382.298 3.856 20 0 GHADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(OCc2cccc(F)c2)c1 ZINC000150847917 841980226 /nfs/dbraw/zinc/98/02/26/841980226.db2.gz NPEPATUZQOWVDO-IBGZPJMESA-N -1 3 379.453 3.716 20 0 GHADHM CC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC000730763842 861264980 /nfs/dbraw/zinc/26/49/80/861264980.db2.gz GADBKEIZDBQHGM-FQEVSTJZSA-N -1 3 392.496 3.568 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000730767461 861265015 /nfs/dbraw/zinc/26/50/15/861265015.db2.gz WADZZLWRVCCIFH-UHFFFAOYSA-N -1 3 394.880 3.528 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000157903708 842067851 /nfs/dbraw/zinc/06/78/51/842067851.db2.gz NDYMYYSTQWXDMY-UHFFFAOYSA-N -1 3 389.408 3.685 20 0 GHADHM CCc1nc([C@H]2CCCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)no1 ZINC000613940812 842252020 /nfs/dbraw/zinc/25/20/20/842252020.db2.gz XJDPKRHDPRUVTH-CYBMUJFWSA-N -1 3 379.420 3.754 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430663783 842297654 /nfs/dbraw/zinc/29/76/54/842297654.db2.gz UOEHLWDTEVRSPB-RKDXNWHRSA-N -1 3 383.673 3.815 20 0 GHADHM CC[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1nnc2n1CCCCC2 ZINC000661935681 842360793 /nfs/dbraw/zinc/36/07/93/842360793.db2.gz DRBXEJJYUULBGN-AWEZNQCLSA-N -1 3 392.463 3.640 20 0 GHADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000613855861 842365911 /nfs/dbraw/zinc/36/59/11/842365911.db2.gz DLMGNSZYPQQXAB-NSHDSACASA-N -1 3 377.824 3.914 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cccc(Cl)c1F ZINC000511912874 842386696 /nfs/dbraw/zinc/38/66/96/842386696.db2.gz XGFNKVMIWDTBFZ-LBPRGKRZSA-N -1 3 376.236 3.935 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3cc4c(cc3C)OCO4)cc2)cc(=O)[n-]1 ZINC000511918494 842403609 /nfs/dbraw/zinc/40/36/09/842403609.db2.gz FMRWPXVIPSIEBN-UHFFFAOYSA-N -1 3 378.388 3.839 20 0 GHADHM COc1ncccc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430667636 842417615 /nfs/dbraw/zinc/41/76/15/842417615.db2.gz WIFANAKLDVYNBI-UHFFFAOYSA-N -1 3 387.395 3.976 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CN2CCCCC2)c2ccccc2)c(F)c1 ZINC001211520980 842555481 /nfs/dbraw/zinc/55/54/81/842555481.db2.gz HNGLRPMGGXMWDB-LJQANCHMSA-N -1 3 394.487 3.779 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000135332001 842559400 /nfs/dbraw/zinc/55/94/00/842559400.db2.gz SNFXHDWOGDGVKC-UHFFFAOYSA-N -1 3 381.881 3.946 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000247419038 842610230 /nfs/dbraw/zinc/61/02/30/842610230.db2.gz UORHZABCNLQGHT-DBXWQHBBSA-N -1 3 392.499 3.710 20 0 GHADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4ccc(C)cc4C)s3)nn2)c1 ZINC000512150204 842659857 /nfs/dbraw/zinc/65/98/57/842659857.db2.gz UFAYICGCSOKAKU-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000161070860 842679392 /nfs/dbraw/zinc/67/93/92/842679392.db2.gz FSECOKJAEZHOEW-UHFFFAOYSA-N -1 3 394.301 3.506 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178308716 861351453 /nfs/dbraw/zinc/35/14/53/861351453.db2.gz WOAUXSSRQFVWAA-VXGBXAGGSA-N -1 3 375.266 3.553 20 0 GHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)CC(F)(F)F ZINC000662195980 842859245 /nfs/dbraw/zinc/85/92/45/842859245.db2.gz DIZRAUIONOEYAB-UHFFFAOYSA-N -1 3 383.208 3.933 20 0 GHADHM Cc1ccccc1-c1ccc(CN(C(C)C)[C@H]2CCN(CC(=O)[O-])C2=O)s1 ZINC000662203321 842882739 /nfs/dbraw/zinc/88/27/39/842882739.db2.gz QGWLMXMPXACYAF-SFHVURJKSA-N -1 3 386.517 3.619 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1C(C)C ZINC000663252315 842904786 /nfs/dbraw/zinc/90/47/86/842904786.db2.gz GXNLPXXKBSIREP-UHFFFAOYSA-N -1 3 391.493 3.890 20 0 GHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512191340 842922863 /nfs/dbraw/zinc/92/28/63/842922863.db2.gz JXAOXVCBEZQGBN-UHFFFAOYSA-N -1 3 390.399 3.727 20 0 GHADHM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662219096 842945745 /nfs/dbraw/zinc/94/57/45/842945745.db2.gz ZMGGYIRAZGEZMO-UHFFFAOYSA-N -1 3 378.488 3.530 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(-c2ccc(Cl)s2)nc1 ZINC000348657303 861369328 /nfs/dbraw/zinc/36/93/28/861369328.db2.gz NVJUKPLYQVJJJK-SECBINFHSA-N -1 3 375.759 3.841 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000667884756 861371883 /nfs/dbraw/zinc/37/18/83/861371883.db2.gz BXNKMDIOVQFTNH-MRXNPFEDSA-N -1 3 384.461 3.686 20 0 GHADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@](C)(C(F)F)O1 ZINC000662364204 843160438 /nfs/dbraw/zinc/16/04/38/843160438.db2.gz WZOZXAJORIFBQU-MLCYQJTMSA-N -1 3 395.431 3.901 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(F)cc3C)n2)cc1F ZINC000471892670 843293846 /nfs/dbraw/zinc/29/38/46/843293846.db2.gz KTXSXGAOUBBYSM-LBPRGKRZSA-N -1 3 393.415 3.671 20 0 GHADHM O=C(Cc1ccc(F)cc1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512321511 843370492 /nfs/dbraw/zinc/37/04/92/843370492.db2.gz JDCOKMIYDSNVDO-UHFFFAOYSA-N -1 3 392.203 3.721 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511976539 843450570 /nfs/dbraw/zinc/45/05/70/843450570.db2.gz ZOQJWWUAJHSSLW-JTQLQIEISA-N -1 3 378.354 3.526 20 0 GHADHM COc1ccc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC000024810514 843517531 /nfs/dbraw/zinc/51/75/31/843517531.db2.gz ZQOWHHDRJNIPPB-UHFFFAOYSA-N -1 3 379.416 3.731 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1C(C)C ZINC000432773306 843769690 /nfs/dbraw/zinc/76/96/90/843769690.db2.gz DVMUCEOSQIUPPG-UHFFFAOYSA-N -1 3 386.477 3.713 20 0 GHADHM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000161097227 843798736 /nfs/dbraw/zinc/79/87/36/843798736.db2.gz LRGFKHWXGFREFF-UHFFFAOYSA-N -1 3 391.251 3.635 20 0 GHADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](CO)CC(C)(C)C ZINC000411789252 843892135 /nfs/dbraw/zinc/89/21/35/843892135.db2.gz HMAKLOHQNPNFPY-GFCCVEGCSA-N -1 3 375.494 3.886 20 0 GHADHM O=C([O-])CN(Cc1cccc(OCC(F)(F)F)c1Br)CC1CC1 ZINC000662215797 843996593 /nfs/dbraw/zinc/99/65/93/843996593.db2.gz VTTCMCNOXRZZER-UHFFFAOYSA-N -1 3 396.203 3.687 20 0 GHADHM O=C(Nc1ccccc1CN1CCc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000433318082 844008785 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C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001211531594 844764011 /nfs/dbraw/zinc/76/40/11/844764011.db2.gz XUFGUXMGFGHWGB-GHMZBOCLSA-N -1 3 383.316 3.531 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000432972517 844806257 /nfs/dbraw/zinc/80/62/57/844806257.db2.gz NORCTOJKKINNER-UHFFFAOYSA-N -1 3 377.269 3.729 20 0 GHADHM O=C(NCCCCCCCc1nc(-c2cccnc2)no1)c1ccccc1[O-] ZINC001211749758 844900651 /nfs/dbraw/zinc/90/06/51/844900651.db2.gz MEKLVAVOQMNKEA-UHFFFAOYSA-N -1 3 380.448 3.760 20 0 GHADHM O=C([O-])c1cccnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000684626228 844911521 /nfs/dbraw/zinc/91/15/21/844911521.db2.gz RUOSSSQIHNFKQS-UHFFFAOYSA-N -1 3 379.382 3.511 20 0 GHADHM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000588482233 844932183 /nfs/dbraw/zinc/93/21/83/844932183.db2.gz NRXGZGUTFQUKIO-HJWRWDBZSA-N -1 3 380.853 3.720 20 0 GHADHM CCCCN(CCCC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052964314 844993082 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20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000273354852 847314510 /nfs/dbraw/zinc/31/45/10/847314510.db2.gz YXHXGGNNFHCVEL-KWOWKCNFSA-N -1 3 395.459 3.592 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)sc1Cl ZINC000582475610 847369715 /nfs/dbraw/zinc/36/97/15/847369715.db2.gz VUJWCUCNLOHECM-GHMZBOCLSA-N -1 3 377.940 3.970 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)o1 ZINC000420739718 847419239 /nfs/dbraw/zinc/41/92/39/847419239.db2.gz YXOLRNJMBLWMAG-UHFFFAOYSA-N -1 3 394.827 3.669 20 0 GHADHM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1Br ZINC000414471342 847432578 /nfs/dbraw/zinc/43/25/78/847432578.db2.gz OQEMUAKYHATDGO-UHFFFAOYSA-N -1 3 378.317 3.640 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H](c3cccs3)n3cccc3)nc21 ZINC000502084823 847472412 /nfs/dbraw/zinc/47/24/12/847472412.db2.gz OHOGJWSGZJONDI-OAHLLOKOSA-N -1 3 394.456 3.831 20 0 GHADHM COc1cc(C)cc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000503229156 847495843 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CC(C)(NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1Br ZINC000503512386 847746731 /nfs/dbraw/zinc/74/67/31/847746731.db2.gz XQBAXUSERKJRAY-UHFFFAOYSA-N -1 3 377.217 3.525 20 0 GHADHM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000502345200 847781078 /nfs/dbraw/zinc/78/10/78/847781078.db2.gz KXMXRLIEHHZCGA-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000421158441 847792004 /nfs/dbraw/zinc/79/20/04/847792004.db2.gz RZPZONCHKQYYGO-IBGZPJMESA-N -1 3 387.505 3.617 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(-c2ncc(C)o2)c1 ZINC000421152160 847815564 /nfs/dbraw/zinc/81/55/64/847815564.db2.gz KJAOPVVWMHNCNN-IBGZPJMESA-N -1 3 386.473 3.649 20 0 GHADHM O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[O-] ZINC000502522350 847963620 /nfs/dbraw/zinc/96/36/20/847963620.db2.gz ZQNSSPCLMLSIBW-UHFFFAOYSA-N -1 3 375.808 3.809 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1F ZINC000728505390 848109545 /nfs/dbraw/zinc/10/95/45/848109545.db2.gz JESSNXMRIXMMNZ-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)nn1-c1cccc(Cl)c1 ZINC000179976382 861881288 /nfs/dbraw/zinc/88/12/88/861881288.db2.gz XQCWADZGYQGRJT-UHFFFAOYSA-N -1 3 383.761 3.961 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c2cccnc12 ZINC000731782302 861888494 /nfs/dbraw/zinc/88/84/94/861888494.db2.gz NJSJDHVIWMDPGB-UHFFFAOYSA-N -1 3 397.500 3.953 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc(-c2ccc(O)cc2)n1 ZINC000731809791 861900889 /nfs/dbraw/zinc/90/08/89/861900889.db2.gz PKJKJQPQVSUJAZ-UHFFFAOYSA-N -1 3 381.392 3.692 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000582854564 848563749 /nfs/dbraw/zinc/56/37/49/848563749.db2.gz RGMZJGCARQENPV-UHFFFAOYSA-N -1 3 377.448 3.680 20 0 GHADHM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1c[n-]c2ccccc2c1=O ZINC001125638191 848720333 /nfs/dbraw/zinc/72/03/33/848720333.db2.gz LLZXOTJODDFHHK-UHFFFAOYSA-N -1 3 382.847 3.617 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)ccc1OC(C)C ZINC000582951825 848752808 /nfs/dbraw/zinc/75/28/08/848752808.db2.gz KVWFQLIGEHWSQJ-UHFFFAOYSA-N -1 3 375.446 3.548 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000123426630 849122578 /nfs/dbraw/zinc/12/25/78/849122578.db2.gz YZYUJVDIJPUUGM-KNQAVFIVSA-N -1 3 396.487 3.859 20 0 GHADHM Cc1cccc(-n2cc(C(=O)[N-]c3nnc(-c4cc(C)cc(C)c4)s3)nn2)c1 ZINC000604264054 862048282 /nfs/dbraw/zinc/04/82/82/862048282.db2.gz QFKSYXJMJJUNSU-UHFFFAOYSA-N -1 3 390.472 3.963 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1c(C)noc1C ZINC000536002380 849715377 /nfs/dbraw/zinc/71/53/77/849715377.db2.gz IXXKFJBXJYARLY-CQSZACIVSA-N -1 3 377.491 3.845 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)Nc2ccc3occc3c2)CCCN(Cc2ccccc2)C1 ZINC000908628408 850227058 /nfs/dbraw/zinc/22/70/58/850227058.db2.gz NNJZYCRAALFQMT-JOCHJYFZSA-N -1 3 393.443 3.674 20 0 GHADHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435224747 850242735 /nfs/dbraw/zinc/24/27/35/850242735.db2.gz GCSQXZIJMSCTAI-VXGBXAGGSA-N -1 3 382.320 3.541 20 0 GHADHM C[C@H](CCCCC(=O)[O-])NCc1cccc(F)c1I ZINC000871877629 891068929 /nfs/dbraw/zinc/06/89/29/891068929.db2.gz PPCWRSNRSHWMRZ-SNVBAGLBSA-N -1 3 379.213 3.553 20 0 GHADHM Cc1ncc(CO)c(/C=N/Cc2ccc(COCc3ccccc3)cc2)c1[O-] ZINC000031643476 850282689 /nfs/dbraw/zinc/28/26/89/850282689.db2.gz QXWLJQHZNUBHRO-ZMOGYAJESA-N -1 3 376.456 3.924 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000908741140 850314933 /nfs/dbraw/zinc/31/49/33/850314933.db2.gz XFHAKZREIVNUKC-WOJBJXKFSA-N -1 3 383.492 3.537 20 0 GHADHM CC1(C)CCC[C@@](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)(C(=O)[O-])C1 ZINC000908751481 850328753 /nfs/dbraw/zinc/32/87/53/850328753.db2.gz MLEAWJAZSDMRFJ-GCJKJVERSA-N -1 3 387.524 3.546 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc(-c2ccncc2)cs1 ZINC000518938393 850362197 /nfs/dbraw/zinc/36/21/97/850362197.db2.gz QDFXYHOWVDJCEX-LBPRGKRZSA-N -1 3 376.441 3.538 20 0 GHADHM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000908870297 850419745 /nfs/dbraw/zinc/41/97/45/850419745.db2.gz XOKXRUYWKBTOMA-PMACEKPBSA-N -1 3 389.540 3.600 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3[nH]ccc3C)ccc2C)cc1 ZINC000435386100 850452020 /nfs/dbraw/zinc/45/20/20/850452020.db2.gz SRIUMITUAZWSHS-UHFFFAOYSA-N -1 3 399.472 3.693 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000908885254 850454286 /nfs/dbraw/zinc/45/42/86/850454286.db2.gz VGHHWXBZASPRKX-WFXMLNOXSA-N -1 3 395.503 3.507 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cnccc1C(F)(F)F ZINC000435422442 850501562 /nfs/dbraw/zinc/50/15/62/850501562.db2.gz MFQGHXPIXRAQEZ-PRHODGIISA-N -1 3 394.777 3.727 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCCC4(CCCCC4)C3)c(=O)c2c(OC)c1 ZINC000625498279 862135656 /nfs/dbraw/zinc/13/56/56/862135656.db2.gz BVCYJIFLVPVBJB-UHFFFAOYSA-N -1 3 384.476 3.732 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000908997392 850524832 /nfs/dbraw/zinc/52/48/32/850524832.db2.gz KURJBBGJWIIGCD-RXVVDRJESA-N -1 3 395.503 3.508 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1 ZINC000435443749 850532887 /nfs/dbraw/zinc/53/28/87/850532887.db2.gz PSTMZWPPBDOERX-AWEZNQCLSA-N -1 3 396.242 3.938 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)c(C)c1 ZINC000435493728 850575756 /nfs/dbraw/zinc/57/57/56/850575756.db2.gz KAMUNNFQPDPBOC-UHFFFAOYSA-N -1 3 391.493 3.596 20 0 GHADHM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506736865 850690750 /nfs/dbraw/zinc/69/07/50/850690750.db2.gz UUAVAOSKPBVFMT-UHFFFAOYSA-N -1 3 379.482 3.509 20 0 GHADHM Cc1cccc([C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1C ZINC000909796549 850778070 /nfs/dbraw/zinc/77/80/70/850778070.db2.gz OZGVIXAEANORPR-RXVVDRJESA-N -1 3 398.478 3.597 20 0 GHADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1nnc2ccccc2c1[O-] ZINC000732279170 862173326 /nfs/dbraw/zinc/17/33/26/862173326.db2.gz IYBAANSRLQXLMD-HNNXBMFYSA-N -1 3 385.370 3.744 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)[C@H](O)c3ccc(F)cc3)cc2)cc(=O)[n-]1 ZINC000732236427 862168256 /nfs/dbraw/zinc/16/82/56/862168256.db2.gz MXLIYHXQPKZOFE-ODXCJYRJSA-N -1 3 396.422 3.540 20 0 GHADHM COc1cc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cc(OC)c1[O-] ZINC000487725612 850862729 /nfs/dbraw/zinc/86/27/29/850862729.db2.gz MZXGOECOARNTDC-SFHVURJKSA-N -1 3 391.439 3.772 20 0 GHADHM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)n1 ZINC000909952487 850868548 /nfs/dbraw/zinc/86/85/48/850868548.db2.gz FVLPDRGULQSSEI-GOSISDBHSA-N -1 3 384.480 3.547 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@@H]1CF ZINC000515353176 850920769 /nfs/dbraw/zinc/92/07/69/850920769.db2.gz DNSCHIQVYFLETA-SECBINFHSA-N -1 3 387.636 3.518 20 0 GHADHM Cc1sc(C(C)(C)[N-]S(=O)(=O)c2cscn2)nc1-c1ccccc1F ZINC000519393005 850998207 /nfs/dbraw/zinc/99/82/07/850998207.db2.gz GIDHAHBKUDHYCR-UHFFFAOYSA-N -1 3 397.522 3.928 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000604423876 862196022 /nfs/dbraw/zinc/19/60/22/862196022.db2.gz ISNAGMMCEJCYCX-HUUCEWRRSA-N -1 3 397.541 3.795 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2csc(Br)c2)c(F)cc1F ZINC000440397155 851156765 /nfs/dbraw/zinc/15/67/65/851156765.db2.gz HMYZPYZMQJWQNQ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM O=c1[n-]c(SCCN2CCc3ccccc32)nc2c1cnn2-c1ccccc1 ZINC000488261498 851325302 /nfs/dbraw/zinc/32/53/02/851325302.db2.gz XNYLMHOJDJQPNZ-UHFFFAOYSA-N -1 3 389.484 3.676 20 0 GHADHM Cc1sc([C@H]2CCCN2C(=O)c2cccc(CN3CCCC3)c2)nc1C(=O)[O-] ZINC000910719611 851363458 /nfs/dbraw/zinc/36/34/58/851363458.db2.gz BZMGPEUGNXJKHJ-QGZVFWFLSA-N -1 3 399.516 3.723 20 0 GHADHM CC(C)n1c2ccc(C(=O)NCc3ncccc3[O-])cc2nc1C(F)(F)F ZINC000473644466 851375671 /nfs/dbraw/zinc/37/56/71/851375671.db2.gz RLSSUDIBGIYRCK-UHFFFAOYSA-N -1 3 378.354 3.667 20 0 GHADHM CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C(=O)[O-])c1 ZINC000910966142 851487120 /nfs/dbraw/zinc/48/71/20/851487120.db2.gz HZLVVSSZIKPVQU-SFHVURJKSA-N -1 3 384.451 3.789 20 0 GHADHM CC1CCN([C@@H](CNC(=O)/C=C/c2cc(C(=O)[O-])co2)c2cccs2)CC1 ZINC000911103620 851572412 /nfs/dbraw/zinc/57/24/12/851572412.db2.gz QHWZAPAZQWJFSI-BDUNBXCCSA-N -1 3 388.489 3.642 20 0 GHADHM CCCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226953 851651206 /nfs/dbraw/zinc/65/12/06/851651206.db2.gz HFQQIIZWSCTBPT-QFIPXVFZSA-N -1 3 394.515 3.831 20 0 GHADHM CCCc1sc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCN2CC)cc1CC ZINC000911279636 851660988 /nfs/dbraw/zinc/66/09/88/851660988.db2.gz KPZKYCPZGLJBBH-MRXNPFEDSA-N -1 3 380.554 3.664 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)N2CCCC2)cc1 ZINC000911297809 851671378 /nfs/dbraw/zinc/67/13/78/851671378.db2.gz ZQYJIGYZURTVDY-YUVSOPLDSA-N -1 3 384.520 3.673 20 0 GHADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](c2ccsc2)O1 ZINC000120870847 851703210 /nfs/dbraw/zinc/70/32/10/851703210.db2.gz MVTRBPBDSGAEGQ-BLLLJJGKSA-N -1 3 381.457 3.693 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCCC2)cc1 ZINC000488726711 851715485 /nfs/dbraw/zinc/71/54/85/851715485.db2.gz NNYHPBJFUQHMPN-HNNXBMFYSA-N -1 3 384.954 3.825 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000111569145 851765487 /nfs/dbraw/zinc/76/54/87/851765487.db2.gz GOFIATAHZCFODN-UHFFFAOYSA-N -1 3 380.469 3.589 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488944284 851879468 /nfs/dbraw/zinc/87/94/68/851879468.db2.gz SJWDDDPHCNFPCM-CJNGLKHVSA-N -1 3 382.888 3.593 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1cc(F)ccc1Cl ZINC000488967909 851900978 /nfs/dbraw/zinc/90/09/78/851900978.db2.gz FVTJPKZGUTUPNR-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000911914775 851966496 /nfs/dbraw/zinc/96/64/96/851966496.db2.gz IEPVOCPVYBMNEV-OAHLLOKOSA-N -1 3 387.867 3.871 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nc(CCC2CCCC2)n[n-]1 ZINC000517463161 851996385 /nfs/dbraw/zinc/99/63/85/851996385.db2.gz CAHLFYCKQOWSPO-UHFFFAOYSA-N -1 3 387.427 3.920 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nnc(CCC2CCCC2)[n-]1 ZINC000517463161 851996389 /nfs/dbraw/zinc/99/63/89/851996389.db2.gz CAHLFYCKQOWSPO-UHFFFAOYSA-N -1 3 387.427 3.920 20 0 GHADHM Cc1cn2c(n1)[C@H](CNC(=O)c1cc(Oc3ccccc3)ccc1[O-])CCC2 ZINC000436515841 852004346 /nfs/dbraw/zinc/00/43/46/852004346.db2.gz RTGFFHAWDRBGPK-INIZCTEOSA-N -1 3 377.444 3.997 20 0 GHADHM CO[C@@H](C)c1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436519771 852008167 /nfs/dbraw/zinc/00/81/67/852008167.db2.gz BEJUMXURQRSMSQ-HNNXBMFYSA-N -1 3 397.475 3.526 20 0 GHADHM CS(=O)(=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436527346 852018200 /nfs/dbraw/zinc/01/82/00/852018200.db2.gz ICDBFIMJHDJLRX-UHFFFAOYSA-N -1 3 397.452 3.518 20 0 GHADHM NC(=O)NCc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436531306 852022861 /nfs/dbraw/zinc/02/28/61/852022861.db2.gz HABNIWJDTVRVEX-UHFFFAOYSA-N -1 3 389.455 3.598 20 0 GHADHM COc1ccc(Cl)cc1C1(CNC(=O)c2ccccc2[O-])CCOCC1 ZINC000436532500 852023646 /nfs/dbraw/zinc/02/36/46/852023646.db2.gz KASUSQOTBMWSSO-UHFFFAOYSA-N -1 3 375.852 3.532 20 0 GHADHM O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cc(F)ccc1[O-] ZINC000436535572 852028070 /nfs/dbraw/zinc/02/80/70/852028070.db2.gz NNVRCITXEGTLLN-UHFFFAOYSA-N -1 3 395.434 3.581 20 0 GHADHM O=C(CSc1nc2nncc-2c(O)[n-]1)N(C1CCCCC1)C1CCCCC1 ZINC000030587881 862311903 /nfs/dbraw/zinc/31/19/03/862311903.db2.gz KUDNYKUONRXRPX-UHFFFAOYSA-N -1 3 389.525 3.645 20 0 GHADHM Cc1nc(COc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2)no1 ZINC000436553996 852040607 /nfs/dbraw/zinc/04/06/07/852040607.db2.gz FQGHKWGNYQFWJW-UHFFFAOYSA-N -1 3 379.416 3.794 20 0 GHADHM CCOC(=O)CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436595916 852082874 /nfs/dbraw/zinc/08/28/74/852082874.db2.gz OGUMDJJZYQAJSL-UHFFFAOYSA-N -1 3 395.499 3.983 20 0 GHADHM CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(C)c(C)c2[O-])ccn1 ZINC000436578164 852086980 /nfs/dbraw/zinc/08/69/80/852086980.db2.gz QIXKLHADUUSEJC-UHFFFAOYSA-N -1 3 391.427 3.808 20 0 GHADHM CC(=O)c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1[O-] ZINC000436611460 852111680 /nfs/dbraw/zinc/11/16/80/852111680.db2.gz OOQIEWLGAGUGLP-UHFFFAOYSA-N -1 3 387.863 3.726 20 0 GHADHM O=C(NCc1ccc(-n2cncn2)cc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436616058 852115828 /nfs/dbraw/zinc/11/58/28/852115828.db2.gz GVIUDRONRCVMQL-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM CC(C)Cn1ncc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1C(C)C ZINC000436627727 852121803 /nfs/dbraw/zinc/12/18/03/852121803.db2.gz YBPWFBJXDYSZBM-GOSISDBHSA-N -1 3 398.507 3.611 20 0 GHADHM CCc1ccc(C(C)(C)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436628464 852124271 /nfs/dbraw/zinc/12/42/71/852124271.db2.gz YZYHIVKVAHEFKK-HXUWFJFHSA-N -1 3 394.515 3.653 20 0 GHADHM Cc1cccc(CNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000436637350 852132128 /nfs/dbraw/zinc/13/21/28/852132128.db2.gz XSYAQRRVFBANGU-UHFFFAOYSA-N -1 3 395.484 3.577 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436619511 852133838 /nfs/dbraw/zinc/13/38/38/852133838.db2.gz RNIHJIYNIMLHHA-GOSISDBHSA-N -1 3 386.879 3.699 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(Cl)nc(N)n3)cc2)cc1 ZINC000045010183 852148842 /nfs/dbraw/zinc/14/88/42/852148842.db2.gz WNHGYVOVTAFLOK-UHFFFAOYSA-N -1 3 390.852 3.614 20 0 GHADHM COc1cc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)cc(OC)c1[O-] ZINC000436686180 852196852 /nfs/dbraw/zinc/19/68/52/852196852.db2.gz DCVQHLIISJLDFM-UHFFFAOYSA-N -1 3 392.358 3.846 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc([C@@H]3CCCc4ccccc43)no2)c([O-])c1 ZINC000436692810 852203665 /nfs/dbraw/zinc/20/36/65/852203665.db2.gz YGTFNSDBBLITNI-QGZVFWFLSA-N -1 3 377.444 3.524 20 0 GHADHM COc1cccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1[O-] ZINC000436699097 852213216 /nfs/dbraw/zinc/21/32/16/852213216.db2.gz OPPMQZNMFMFQOW-UHFFFAOYSA-N -1 3 395.312 3.997 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c([O-])c1 ZINC000436700666 852217489 /nfs/dbraw/zinc/21/74/89/852217489.db2.gz WWBYFPVFXSZFIJ-KRWDZBQOSA-N -1 3 385.439 3.691 20 0 GHADHM Cn1cc(-c2nc3ccccn3c2NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000436701453 852219321 /nfs/dbraw/zinc/21/93/21/852219321.db2.gz DNXNOBSZQXZMKN-UHFFFAOYSA-N -1 3 387.443 3.572 20 0 GHADHM CN(C[C@H](O)Cc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436704214 852222733 /nfs/dbraw/zinc/22/27/33/852222733.db2.gz JJNNFIPVBMWRSZ-OAQYLSRUSA-N -1 3 375.468 3.659 20 0 GHADHM COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436716270 852240508 /nfs/dbraw/zinc/24/05/08/852240508.db2.gz PJKVNOUGZHNYSJ-DJJJIMSYSA-N -1 3 392.858 3.616 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc(F)cc(Br)c1[O-])c1ccco1 ZINC000436716356 852240542 /nfs/dbraw/zinc/24/05/42/852240542.db2.gz TUXYICCLGDPFMF-YGRLFVJLSA-N -1 3 399.260 3.746 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)c3cc(OC)c([O-])c(OC)c3)ccc2c1 ZINC000436744128 852262188 /nfs/dbraw/zinc/26/21/88/852262188.db2.gz JNWKKBJOLWMWPV-UHFFFAOYSA-N -1 3 381.428 3.843 20 0 GHADHM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436743274 852263125 /nfs/dbraw/zinc/26/31/25/852263125.db2.gz ZMPPFPPPIZITOE-UHFFFAOYSA-N -1 3 383.423 3.582 20 0 GHADHM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436758194 852275725 /nfs/dbraw/zinc/27/57/25/852275725.db2.gz MGDYDGRTDPAJGC-UHFFFAOYSA-N -1 3 383.448 3.888 20 0 GHADHM Cc1ccc(-n2cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c(C(C)(C)C)n2)cc1 ZINC000473847398 852277266 /nfs/dbraw/zinc/27/72/66/852277266.db2.gz NGINOYISJQOJCD-SFHVURJKSA-N -1 3 393.491 3.727 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000912469091 852283698 /nfs/dbraw/zinc/28/36/98/852283698.db2.gz BVZXWWSMAIMYNA-CQSZACIVSA-N -1 3 395.425 3.536 20 0 GHADHM CC(C)c1cccc(O[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)c2ccccc2)c1 ZINC000912469524 852292390 /nfs/dbraw/zinc/29/23/90/852292390.db2.gz MTIVZRLVWPBXMU-PZJWPPBQSA-N -1 3 393.487 3.558 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c([O-])c1 ZINC000436754020 852296749 /nfs/dbraw/zinc/29/67/49/852296749.db2.gz XIMNFMKAAVYJKL-UHFFFAOYSA-N -1 3 396.468 3.895 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2cccc(O)c2)CC1 ZINC000436755860 852302196 /nfs/dbraw/zinc/30/21/96/852302196.db2.gz ATJFJFSXMGPAPV-UHFFFAOYSA-N -1 3 390.439 3.853 20 0 GHADHM Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c([O-])c1 ZINC000436781267 852334335 /nfs/dbraw/zinc/33/43/35/852334335.db2.gz SUSQIBWTBVWMPE-UHFFFAOYSA-N -1 3 375.432 3.589 20 0 GHADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436785428 852338759 /nfs/dbraw/zinc/33/87/59/852338759.db2.gz DVQSTFQOFIXSIF-CYBMUJFWSA-N -1 3 388.489 3.580 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H]3CCCC[C@]3(C)C(=O)[O-])cs2)cc1 ZINC000426726270 852347762 /nfs/dbraw/zinc/34/77/62/852347762.db2.gz IKNADHHCDZPXBA-XLIONFOSSA-N -1 3 390.505 3.854 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000506944695 852351367 /nfs/dbraw/zinc/35/13/67/852351367.db2.gz DZJNWHBODYOFJB-LJQANCHMSA-N -1 3 378.432 3.688 20 0 GHADHM COc1ccc(Br)cc1[C@@H](NCc1ccc(C)cc1C)C(=O)[O-] ZINC000426747936 852352567 /nfs/dbraw/zinc/35/25/67/852352567.db2.gz SYKRKJRLADRTOO-QGZVFWFLSA-N -1 3 378.266 3.990 20 0 GHADHM CC(C)[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436808088 852367210 /nfs/dbraw/zinc/36/72/10/852367210.db2.gz KNYBSKNYZJHJPB-OAQYLSRUSA-N -1 3 394.515 3.943 20 0 GHADHM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NCc1coc(-c2ccccc2)n1 ZINC000426769788 852373225 /nfs/dbraw/zinc/37/32/25/852373225.db2.gz LVQWISKWNFLEBK-IBGZPJMESA-N -1 3 379.391 3.748 20 0 GHADHM CC[C@@H](C)[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436831178 852379890 /nfs/dbraw/zinc/37/98/90/852379890.db2.gz XJVDXJXMOBJPLT-DYESRHJHSA-N -1 3 380.488 3.507 20 0 GHADHM O=C(Nc1ccc2c(Cl)cccc2n1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436835546 852386143 /nfs/dbraw/zinc/38/61/43/852386143.db2.gz AIXKSPTXWOSAGL-KRWDZBQOSA-N -1 3 395.846 3.837 20 0 GHADHM Cc1cscc1CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819837 852388106 /nfs/dbraw/zinc/38/81/06/852388106.db2.gz ORONJGPGDWKOFR-HXUWFJFHSA-N -1 3 394.496 3.940 20 0 GHADHM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436823371 852392915 /nfs/dbraw/zinc/39/29/15/852392915.db2.gz ULWDZXCJBDKJME-CQSZACIVSA-N -1 3 388.895 3.524 20 0 GHADHM CC(=O)Nc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426829622 852417802 /nfs/dbraw/zinc/41/78/02/852417802.db2.gz QKCRYVDQOMROEZ-KRWDZBQOSA-N -1 3 391.265 3.713 20 0 GHADHM COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C(C)=O)c([O-])c3)n2)c1 ZINC000436859763 852421731 /nfs/dbraw/zinc/42/17/31/852421731.db2.gz DBJACFXTRLYUER-UHFFFAOYSA-N -1 3 398.440 3.988 20 0 GHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OCC ZINC000426821053 852432115 /nfs/dbraw/zinc/43/21/15/852432115.db2.gz PKHTVQOVHXXEPI-IBGZPJMESA-N -1 3 377.412 3.547 20 0 GHADHM C[C@@H]1CC[C@@H](N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436876436 852446911 /nfs/dbraw/zinc/44/69/11/852446911.db2.gz IWGCWUMEVAGTLL-BSIFCXSSSA-N -1 3 380.488 3.900 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCCCC1 ZINC000436904033 852468806 /nfs/dbraw/zinc/46/88/06/852468806.db2.gz PDMDNLLHKGLHAR-OAQYLSRUSA-N -1 3 380.488 3.950 20 0 GHADHM CCN1CCN(c2ccc(-c3noc(-c4ccc(C)cc4[O-])n3)cc2F)CC1 ZINC000436915429 852496094 /nfs/dbraw/zinc/49/60/94/852496094.db2.gz QDYLVHMTYOBLAA-UHFFFAOYSA-N -1 3 382.439 3.699 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CC)CC(F)(F)F)c1 ZINC000489637319 852501504 /nfs/dbraw/zinc/50/15/04/852501504.db2.gz ZRUKBTWTEOWIHT-NSHDSACASA-N -1 3 387.807 3.526 20 0 GHADHM O=C(Nc1cc(Cl)ccc1F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436922421 852504068 /nfs/dbraw/zinc/50/40/68/852504068.db2.gz XYDYCWRNXIMDPT-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)cc3OC)no2)c1 ZINC000436945769 852528299 /nfs/dbraw/zinc/52/82/99/852528299.db2.gz VENIDYKVVVWRQI-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC[C@@H](C)C3)cs2)c1 ZINC000436955166 852544309 /nfs/dbraw/zinc/54/43/09/852544309.db2.gz ZSDIHNNIGQQOPC-CQSZACIVSA-N -1 3 387.505 3.601 20 0 GHADHM COc1cc([C@@H](NC(=O)c2ccc(C)cc2[O-])C(F)(F)F)cc(OC)c1OC ZINC000436956509 852547123 /nfs/dbraw/zinc/54/71/23/852547123.db2.gz MWQBLENACFRJMI-QGZVFWFLSA-N -1 3 399.365 3.760 20 0 GHADHM COc1cccc(-c2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)c1[O-] ZINC000436957874 852548113 /nfs/dbraw/zinc/54/81/13/852548113.db2.gz BOCLRUWIHXRXHF-UHFFFAOYSA-N -1 3 385.420 3.707 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000436986970 852575300 /nfs/dbraw/zinc/57/53/00/852575300.db2.gz KVWWMVYYXYQJGG-HNNXBMFYSA-N -1 3 379.522 3.746 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000436991581 852582263 /nfs/dbraw/zinc/58/22/63/852582263.db2.gz ROMBTRKXQDAJTF-GUTXKFCHSA-N -1 3 385.464 3.743 20 0 GHADHM COc1ccc(CN(CC2CC2)C(=O)NCc2ccc([O-])c(F)c2)c(OC)c1 ZINC000507207781 852659370 /nfs/dbraw/zinc/65/93/70/852659370.db2.gz PTVDRSHXOLILIG-UHFFFAOYSA-N -1 3 388.439 3.670 20 0 GHADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427132565 852755980 /nfs/dbraw/zinc/75/59/80/852755980.db2.gz DVFLYWZUWRNBMF-UHFFFAOYSA-N -1 3 395.202 3.719 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000490162017 852799221 /nfs/dbraw/zinc/79/92/21/852799221.db2.gz SZHGEJOXRCEHHK-UHFFFAOYSA-N -1 3 390.424 3.603 20 0 GHADHM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000438754874 852804603 /nfs/dbraw/zinc/80/46/03/852804603.db2.gz LLSQPWQRRDUSHX-UHFFFAOYSA-N -1 3 384.295 3.667 20 0 GHADHM COc1ccccc1[C@H](CNC(=O)c1c(F)ccc([O-])c1F)N1CCCCC1 ZINC000438778217 852842543 /nfs/dbraw/zinc/84/25/43/852842543.db2.gz ZCCLPWJWKCYFEU-INIZCTEOSA-N -1 3 390.430 3.636 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000912976822 852942178 /nfs/dbraw/zinc/94/21/78/852942178.db2.gz WVVQSCGXMRYIBR-UHFFFAOYSA-N -1 3 385.464 3.536 20 0 GHADHM CSc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Br ZINC000912980196 852944017 /nfs/dbraw/zinc/94/40/17/852944017.db2.gz SOBQTWRYEGYQRO-UHFFFAOYSA-N -1 3 380.267 3.796 20 0 GHADHM COC(=O)CCS(=O)(=O)[N-]c1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC000427296675 852947206 /nfs/dbraw/zinc/94/72/06/852947206.db2.gz PLXNAKZMMYFENT-UHFFFAOYSA-N -1 3 395.452 3.585 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(F)c(C(F)(F)F)c1 ZINC000509593923 853027858 /nfs/dbraw/zinc/02/78/58/853027858.db2.gz YMNDANSTPPECGA-UHFFFAOYSA-N -1 3 375.343 3.970 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1 ZINC000518197793 853056566 /nfs/dbraw/zinc/05/65/66/853056566.db2.gz GOIAQSGOKMWFIZ-UHFFFAOYSA-N -1 3 385.489 3.923 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000481866950 862429898 /nfs/dbraw/zinc/42/98/98/862429898.db2.gz OPXFDPMUXQLRQX-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000481866950 862429902 /nfs/dbraw/zinc/42/99/02/862429902.db2.gz OPXFDPMUXQLRQX-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM C[C@H](Oc1cccc(Br)c1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439023175 853192900 /nfs/dbraw/zinc/19/29/00/853192900.db2.gz UUBJYQIGNYTDLG-LBPRGKRZSA-N -1 3 386.249 3.667 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(C)n1CC(F)(F)F ZINC000913299621 853209430 /nfs/dbraw/zinc/20/94/30/853209430.db2.gz NDNLQGHHHBTOPP-UHFFFAOYSA-N -1 3 395.337 3.690 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(C)n1CC(F)(F)F ZINC000913299621 853209441 /nfs/dbraw/zinc/20/94/41/853209441.db2.gz NDNLQGHHHBTOPP-UHFFFAOYSA-N -1 3 395.337 3.690 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669087839 853218139 /nfs/dbraw/zinc/21/81/39/853218139.db2.gz ZLGCTZXMWIQVQP-QGZVFWFLSA-N -1 3 375.472 3.677 20 0 GHADHM Cc1cccc(C(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccc(C)c2)c1 ZINC000439065852 853257267 /nfs/dbraw/zinc/25/72/67/853257267.db2.gz PUPYWDFKOFENBG-UHFFFAOYSA-N -1 3 375.472 3.864 20 0 GHADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(=O)c2ccccc2[n-]1 ZINC000506070617 853298703 /nfs/dbraw/zinc/29/87/03/853298703.db2.gz NELFVDJNSPWAHH-UHFFFAOYSA-N -1 3 383.860 3.764 20 0 GHADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000517086370 853342248 /nfs/dbraw/zinc/34/22/48/853342248.db2.gz CAXHCJIKHLPBOF-UHFFFAOYSA-N -1 3 376.906 3.754 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000732747668 862467008 /nfs/dbraw/zinc/46/70/08/862467008.db2.gz UBLWGWRVKZHLLD-UIRWJGRMSA-N -1 3 382.435 3.520 20 0 GHADHM C[C@H](CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1)Oc1ccc(Cl)c(Cl)c1 ZINC000517171096 853481139 /nfs/dbraw/zinc/48/11/39/853481139.db2.gz ADANNTPZPZOZFB-SNVBAGLBSA-N -1 3 396.274 3.906 20 0 GHADHM CC(C)[C@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CC12CCOCC2 ZINC000334028089 853502957 /nfs/dbraw/zinc/50/29/57/853502957.db2.gz IXGQYVMDYNBBOJ-MRXNPFEDSA-N -1 3 397.313 3.501 20 0 GHADHM CC(=O)N(CCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)Cc1ccccc1 ZINC000586839777 853559181 /nfs/dbraw/zinc/55/91/81/853559181.db2.gz IFOSNGNOKWSSDI-UHFFFAOYSA-N -1 3 396.878 3.529 20 0 GHADHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000142131230 853824805 /nfs/dbraw/zinc/82/48/05/853824805.db2.gz VABPUAMAWQJUQU-UHFFFAOYSA-N -1 3 396.299 3.700 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000571291071 853830443 /nfs/dbraw/zinc/83/04/43/853830443.db2.gz LBDAEUDYRZUVQY-AEFFLSMTSA-N -1 3 389.492 3.570 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000571291075 853830695 /nfs/dbraw/zinc/83/06/95/853830695.db2.gz LBDAEUDYRZUVQY-SJLPKXTDSA-N -1 3 389.492 3.570 20 0 GHADHM O=C([N-]NC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1F ZINC000044774567 853836790 /nfs/dbraw/zinc/83/67/90/853836790.db2.gz MBZAYXFGEMKPTQ-KGLIPLIRSA-N -1 3 395.459 3.946 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3(c4ccc(F)cc4)CCC3)c2)n1 ZINC000156596867 853888653 /nfs/dbraw/zinc/88/86/53/853888653.db2.gz QYHAEWZWCGQSPM-UHFFFAOYSA-N -1 3 378.403 3.912 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481929567 862537393 /nfs/dbraw/zinc/53/73/93/862537393.db2.gz DIYSNAUPRMZFPP-UHFFFAOYSA-N -1 3 390.365 3.576 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)sc1Cl ZINC000473903295 854207108 /nfs/dbraw/zinc/20/71/08/854207108.db2.gz OZPWCFXYYPGWBL-UHFFFAOYSA-N -1 3 376.956 3.566 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@@](C(=O)[O-])(C(C)C)C3)cs2)c(OC)c1 ZINC000572127554 854404960 /nfs/dbraw/zinc/40/49/60/854404960.db2.gz JJIFGOYOIFMWJX-FQEVSTJZSA-N -1 3 390.505 3.760 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCCCNc3ccccn3)cc2)cc(=O)[n-]1 ZINC000588772157 854411665 /nfs/dbraw/zinc/41/16/65/854411665.db2.gz XJSLBDOKVLBOFK-UHFFFAOYSA-N -1 3 392.463 3.566 20 0 GHADHM O=C(N[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000572211967 854442645 /nfs/dbraw/zinc/44/26/45/854442645.db2.gz NFTNLXNXLSGHDZ-KGLIPLIRSA-N -1 3 390.892 3.515 20 0 GHADHM O=C(N[C@@H]1CCc2sc(Cl)cc21)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000572211969 854442766 /nfs/dbraw/zinc/44/27/66/854442766.db2.gz NFTNLXNXLSGHDZ-ZIAGYGMSSA-N -1 3 390.892 3.515 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)cc2)cc(=O)[n-]1 ZINC000328833815 854567722 /nfs/dbraw/zinc/56/77/22/854567722.db2.gz RVIZRNNDNGWDKH-DFQSSKMNSA-N -1 3 396.491 3.705 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(C)c2C)cc1OC ZINC000068578490 854600451 /nfs/dbraw/zinc/60/04/51/854600451.db2.gz BHHMNGVSRFPSDC-UHFFFAOYSA-N -1 3 377.466 3.718 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cc(OC)c(OC)cc3C)nc2)n1 ZINC000068666018 854607680 /nfs/dbraw/zinc/60/76/80/854607680.db2.gz LLQAUDKIEJYMPF-CQSZACIVSA-N -1 3 394.475 3.893 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCc3ccc(OC)cc3)nc2)n1 ZINC000068693201 854611172 /nfs/dbraw/zinc/61/11/72/854611172.db2.gz DDMBYQFOHLJPTB-OAHLLOKOSA-N -1 3 378.476 3.836 20 0 GHADHM O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068973886 854640315 /nfs/dbraw/zinc/64/03/15/854640315.db2.gz NGTJTFIOCDFOEE-UHFFFAOYSA-N -1 3 383.411 3.625 20 0 GHADHM O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068973886 854640319 /nfs/dbraw/zinc/64/03/19/854640319.db2.gz NGTJTFIOCDFOEE-UHFFFAOYSA-N -1 3 383.411 3.625 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000589051038 854648020 /nfs/dbraw/zinc/64/80/20/854648020.db2.gz JDFOXFOBGMFIQG-UHFFFAOYSA-N -1 3 393.447 3.765 20 0 GHADHM O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1cc(=O)c2ccccc2[n-]1 ZINC000617836764 854774893 /nfs/dbraw/zinc/77/48/93/854774893.db2.gz HBTBMMVMTUCFCI-JOCHJYFZSA-N -1 3 396.874 3.703 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@H]3C3CCCCC3)c(=O)c2c(OC)c1 ZINC000624410256 854780188 /nfs/dbraw/zinc/78/01/88/854780188.db2.gz MNUAHLSLVQQTCX-SFHVURJKSA-N -1 3 384.476 3.730 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)c(C)c1C ZINC000125969235 854804608 /nfs/dbraw/zinc/80/46/08/854804608.db2.gz QPNHFEIBQFIUDP-UHFFFAOYSA-N -1 3 387.505 3.559 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188678935 854900298 /nfs/dbraw/zinc/90/02/98/854900298.db2.gz FIYCPBQMUFEUOX-UHFFFAOYSA-N -1 3 378.276 3.804 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188678935 854900301 /nfs/dbraw/zinc/90/03/01/854900301.db2.gz FIYCPBQMUFEUOX-UHFFFAOYSA-N -1 3 378.276 3.804 20 0 GHADHM O=C(NCCC1Cc2ccccc2C1)NCc1ccc([O-])c(Br)c1 ZINC000572665687 854925989 /nfs/dbraw/zinc/92/59/89/854925989.db2.gz BBNPARMSYGMEDG-UHFFFAOYSA-N -1 3 389.293 3.759 20 0 GHADHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(OCc2cccnc2)cc1 ZINC000052992550 854956431 /nfs/dbraw/zinc/95/64/31/854956431.db2.gz HLFYREPREGCMTN-AWEZNQCLSA-N -1 3 392.411 3.586 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)co2)cc1 ZINC000572879823 855030028 /nfs/dbraw/zinc/03/00/28/855030028.db2.gz ZBVKCVIHOXZZCH-UXHICEINSA-N -1 3 378.428 3.650 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000589597820 855077964 /nfs/dbraw/zinc/07/79/64/855077964.db2.gz AZNUPKIEYJIHTL-UHFFFAOYSA-N -1 3 399.465 3.534 20 0 GHADHM O=S(=O)([N-]Cc1cccc(COCC(F)(F)F)c1)c1ccc(F)cc1F ZINC000152313756 855095832 /nfs/dbraw/zinc/09/58/32/855095832.db2.gz FGOZQSBMVWZHST-UHFFFAOYSA-N -1 3 395.349 3.522 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000589689630 855108701 /nfs/dbraw/zinc/10/87/01/855108701.db2.gz QECWNNUCPLILLH-UHFFFAOYSA-N -1 3 380.375 3.692 20 0 GHADHM C[C@H](C1CC1)n1cc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000189729869 855186619 /nfs/dbraw/zinc/18/66/19/855186619.db2.gz PKIRPBSVYDVGDP-SNVBAGLBSA-N -1 3 379.258 3.644 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)c(C)c1C ZINC000604971691 862650505 /nfs/dbraw/zinc/65/05/05/862650505.db2.gz LKJAXNRNHCMHPD-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000589952090 855203010 /nfs/dbraw/zinc/20/30/10/855203010.db2.gz HBDHTJNCWGPAJV-IAQYHMDHSA-N -1 3 396.871 3.727 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)c(C(=O)OCC)[n-]1 ZINC001128073687 855229449 /nfs/dbraw/zinc/22/94/49/855229449.db2.gz IDLBIBACNCTUHB-AWEZNQCLSA-N -1 3 375.856 3.861 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c(C(=O)OCC)[n-]1 ZINC001128073706 855229696 /nfs/dbraw/zinc/22/96/96/855229696.db2.gz IZIRSDKSGRTFIA-CQSZACIVSA-N -1 3 399.491 3.824 20 0 GHADHM CCCCc1nc(NC(=O)c2cnn(CCC(C)C)c2C)c(C(=O)OCC)[n-]1 ZINC001128074442 855230277 /nfs/dbraw/zinc/23/02/77/855230277.db2.gz WLNBFJMVPDCKBQ-UHFFFAOYSA-N -1 3 389.500 3.732 20 0 GHADHM CCCCc1nc(NC(=O)C=C(C)c2cccc(OC)c2)c(C(=O)OCC)[n-]1 ZINC001128074229 855230382 /nfs/dbraw/zinc/23/03/82/855230382.db2.gz RNBIXPWYJXZEOK-OWBHPGMISA-N -1 3 385.464 3.980 20 0 GHADHM O=C([N-]NC(=O)c1ccc2ccccc2c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000057096751 855230730 /nfs/dbraw/zinc/23/07/30/855230730.db2.gz YVNNPKALUDRYNK-UHFFFAOYSA-N -1 3 396.450 3.978 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(F)cc1F ZINC000190107007 855280931 /nfs/dbraw/zinc/28/09/31/855280931.db2.gz BHNLKOZFELTSBQ-CYBMUJFWSA-N -1 3 389.445 3.551 20 0 GHADHM COC(=O)c1sc2[n-]c(CC(=O)c3ccc(C(C)(C)C)cc3)nc(=O)c2c1C ZINC000055504211 855336732 /nfs/dbraw/zinc/33/67/32/855336732.db2.gz NJJGCYOHXVYOFO-UHFFFAOYSA-N -1 3 398.484 3.803 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C ZINC000055567351 855348455 /nfs/dbraw/zinc/34/84/55/855348455.db2.gz SUQRDXXBBHUVPT-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl ZINC000055631482 855362397 /nfs/dbraw/zinc/36/23/97/855362397.db2.gz CKFPWMLBJIXZEG-OAHLLOKOSA-N -1 3 397.880 3.707 20 0 GHADHM CCc1coc([N-]C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)n1 ZINC000572984918 855453032 /nfs/dbraw/zinc/45/30/32/855453032.db2.gz RWNNLHCNENFWFS-UHFFFAOYSA-N -1 3 397.522 3.552 20 0 GHADHM Cc1csc([C@@H](C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n1 ZINC000542714225 855526930 /nfs/dbraw/zinc/52/69/30/855526930.db2.gz SGBRQISVVZWHMU-NSHDSACASA-N -1 3 383.477 3.848 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](C4CCCCC4)C3)cc2)cc(=O)[n-]1 ZINC000542713481 855536961 /nfs/dbraw/zinc/53/69/61/855536961.db2.gz GAOOAQJLHOHIFF-HXUWFJFHSA-N -1 3 396.491 3.971 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)c1Cl ZINC000614595890 855713479 /nfs/dbraw/zinc/71/34/79/855713479.db2.gz NVBBTQXKLOOJGH-LBPRGKRZSA-N -1 3 393.361 3.945 20 0 GHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000605022170 862714414 /nfs/dbraw/zinc/71/44/14/862714414.db2.gz UTWUYVAZPDAWJY-CQSZACIVSA-N -1 3 399.292 3.864 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1Cc2ccccc2C2(CC2)C1 ZINC000482115121 862718080 /nfs/dbraw/zinc/71/80/80/862718080.db2.gz SJRLBWHGVWMRQQ-UHFFFAOYSA-N -1 3 397.276 3.598 20 0 GHADHM O=c1[n-]c(SCCOc2ccccc2Cl)nc2c1cnn2-c1ccccc1 ZINC000022312741 855773220 /nfs/dbraw/zinc/77/32/20/855773220.db2.gz XFRWALWJAQSNEZ-UHFFFAOYSA-N -1 3 398.875 3.933 20 0 GHADHM COCc1cccc(COC(=O)c2ccc(I)c([O-])c2)c1 ZINC000760813199 855817082 /nfs/dbraw/zinc/81/70/82/855817082.db2.gz IQEGPAZJAPUYFO-UHFFFAOYSA-N -1 3 398.196 3.500 20 0 GHADHM Cc1ccc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000546319312 855871152 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GHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccccc4)nn3)[n-]n2)o1 ZINC000766083388 856904969 /nfs/dbraw/zinc/90/49/69/856904969.db2.gz YZYWIVHWJMSUMI-UHFFFAOYSA-N -1 3 376.372 3.917 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(OC)c(OC)cc2C)c(C(=O)OCC)[n-]1 ZINC000485701415 856978104 /nfs/dbraw/zinc/97/81/04/856978104.db2.gz JVMWTHUJZNHQAS-UHFFFAOYSA-N -1 3 389.452 3.507 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3[C@H](C)C[C@@H]4CCCC[C@H]43)nc(=O)c2c1C ZINC000253543208 857020714 /nfs/dbraw/zinc/02/07/14/857020714.db2.gz AVLIZNWPSKPULK-KGYLQXTDSA-N -1 3 375.494 3.645 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)s1 ZINC000906389377 857074433 /nfs/dbraw/zinc/07/44/33/857074433.db2.gz VDSAKCGAQQCOOI-CYBMUJFWSA-N -1 3 393.513 3.531 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)c1Cl ZINC000675195042 857089081 /nfs/dbraw/zinc/08/90/81/857089081.db2.gz AXIMBEALIWQNKJ-UHFFFAOYSA-N -1 3 396.093 3.682 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(I)c(F)c1 ZINC000530896639 878703751 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COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Cl ZINC000181663894 862962708 /nfs/dbraw/zinc/96/27/08/862962708.db2.gz HGTCDRHHTZBEGG-UHFFFAOYSA-N -1 3 377.796 3.793 20 0 GHADHM COCCN(Cc1cccs1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486626379 857912901 /nfs/dbraw/zinc/91/29/01/857912901.db2.gz LUQOUXVKFCWKSN-UHFFFAOYSA-N -1 3 399.310 3.574 20 0 GHADHM C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000066852609 857975728 /nfs/dbraw/zinc/97/57/28/857975728.db2.gz ONDGHJAFRDUVNX-RDTXWAMCSA-N -1 3 375.428 3.631 20 0 GHADHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001127019528 857997931 /nfs/dbraw/zinc/99/79/31/857997931.db2.gz POQCIRJMJYCABZ-UHFFFAOYSA-N -1 3 398.220 3.708 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC(C)(C)c2ccccc2)cc1OC ZINC000067210732 858009659 /nfs/dbraw/zinc/00/96/59/858009659.db2.gz JMNOAPUWPHXDPY-UHFFFAOYSA-N -1 3 390.505 3.763 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccncc1 ZINC000674073068 862976746 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COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(Cl)c1[O-] ZINC000207890327 863003699 /nfs/dbraw/zinc/00/36/99/863003699.db2.gz CPCMXDICDPELQK-NTUHNPAUSA-N -1 3 378.862 3.855 20 0 GHADHM COCCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761076379 858286918 /nfs/dbraw/zinc/28/69/18/858286918.db2.gz YAWVDTAKIDMLQD-UHFFFAOYSA-N -1 3 395.452 3.518 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1cccc2ncccc21 ZINC000066772076 858290258 /nfs/dbraw/zinc/29/02/58/858290258.db2.gz SCXZIZWWMICBOP-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccccc1SCc1cn2ccccc2n1 ZINC000543096067 858325704 /nfs/dbraw/zinc/32/57/04/858325704.db2.gz QFZRHZMKTMZXNT-UHFFFAOYSA-N -1 3 376.441 3.980 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)s1 ZINC000443088805 858348375 /nfs/dbraw/zinc/34/83/75/858348375.db2.gz BVMUMPLQXQKWHB-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(N3CCC3=O)c2)c1Cl ZINC000443095301 858373284 /nfs/dbraw/zinc/37/32/84/858373284.db2.gz NYUBVQBONRJPHB-UHFFFAOYSA-N -1 3 399.299 3.517 20 0 GHADHM COc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000443137066 858411010 /nfs/dbraw/zinc/41/10/10/858411010.db2.gz SHUCUZYNJFTNLG-GJZGRUSLSA-N -1 3 388.895 3.789 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000158169429 858488991 /nfs/dbraw/zinc/48/89/91/858488991.db2.gz UNUNSOJELLMLAC-BXKDBHETSA-N -1 3 397.415 3.697 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000191086757 858490007 /nfs/dbraw/zinc/49/00/07/858490007.db2.gz CWCBWZOJBXVBAK-JTQLQIEISA-N -1 3 391.349 3.514 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c1 ZINC000115726540 858639283 /nfs/dbraw/zinc/63/92/83/858639283.db2.gz CHZOEAQCUAVYMI-HHHXNRCGSA-N -1 3 387.501 3.635 20 0 GHADHM COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000595846609 858693828 /nfs/dbraw/zinc/69/38/28/858693828.db2.gz BIUSXLJEIPWVNZ-MRXNPFEDSA-N -1 3 396.274 3.713 20 0 GHADHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000543169422 858711659 /nfs/dbraw/zinc/71/16/59/858711659.db2.gz PJBJGRGBWGKULC-LBPRGKRZSA-N -1 3 378.277 3.513 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000443493244 858831317 /nfs/dbraw/zinc/83/13/17/858831317.db2.gz ADXANPCISAFHLE-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000543198217 858832531 /nfs/dbraw/zinc/83/25/31/858832531.db2.gz YWGSNOHKRNNTBF-CQSZACIVSA-N -1 3 392.459 3.727 20 0 GHADHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)cc2CCC1=O ZINC000184023002 858863345 /nfs/dbraw/zinc/86/33/45/858863345.db2.gz HJUSPTIIGUWFNU-UHFFFAOYSA-N -1 3 388.489 3.574 20 0 GHADHM CCc1cc2c(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cc(=O)oc2cc1[O-] ZINC000761183556 858922483 /nfs/dbraw/zinc/92/24/83/858922483.db2.gz FBLPFCUSZQBGAW-IBGZPJMESA-N -1 3 375.465 3.517 20 0 GHADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000474089705 858927639 /nfs/dbraw/zinc/92/76/39/858927639.db2.gz UCKHFXIJHLITTE-BEFAXECRSA-N -1 3 390.505 3.795 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCCC1 ZINC000509299361 858988287 /nfs/dbraw/zinc/98/82/87/858988287.db2.gz XXVZVCSULOYKPQ-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM CCOC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)nc1C ZINC000068435944 859030210 /nfs/dbraw/zinc/03/02/10/859030210.db2.gz BRETWNBQOFKISK-UHFFFAOYSA-N -1 3 396.472 3.954 20 0 GHADHM Cc1ccc([C@@H](C)c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000544571643 859040992 /nfs/dbraw/zinc/04/09/92/859040992.db2.gz REEONLGDWILZMA-HZPDHXFCSA-N -1 3 385.489 3.878 20 0 GHADHM O=c1cc(CSc2ccc(-c3nnn[n-]3)cc2F)c2cc3c(cc2o1)CCC3 ZINC000738378972 859071714 /nfs/dbraw/zinc/07/17/14/859071714.db2.gz CXYPQKVEKQPOAL-UHFFFAOYSA-N -1 3 394.431 3.893 20 0 GHADHM O=c1cc(CSc2ccc(-c3nn[n-]n3)cc2F)c2cc3c(cc2o1)CCC3 ZINC000738378972 859071721 /nfs/dbraw/zinc/07/17/21/859071721.db2.gz CXYPQKVEKQPOAL-UHFFFAOYSA-N -1 3 394.431 3.893 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnn3C(CC)CC)c2)n1 ZINC000162154268 859123832 /nfs/dbraw/zinc/12/38/32/859123832.db2.gz VJIHHSFDRHOZQJ-UHFFFAOYSA-N -1 3 379.464 3.809 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000483074239 859124152 /nfs/dbraw/zinc/12/41/52/859124152.db2.gz JJHJMQXGAXZPOL-LBPRGKRZSA-N -1 3 395.410 3.668 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000029047350 859193958 /nfs/dbraw/zinc/19/39/58/859193958.db2.gz UPORDOQRHLAIFS-UHFFFAOYSA-N -1 3 388.489 3.649 20 0 GHADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1C ZINC000466355113 859212011 /nfs/dbraw/zinc/21/20/11/859212011.db2.gz SAXLCZFIPLJILJ-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(Cl)c1Br ZINC000550571028 859298726 /nfs/dbraw/zinc/29/87/26/859298726.db2.gz NHJDXTQUZPMLTR-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(Cl)c1Br ZINC000550571028 859298734 /nfs/dbraw/zinc/29/87/34/859298734.db2.gz NHJDXTQUZPMLTR-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923529656 859399312 /nfs/dbraw/zinc/39/93/12/859399312.db2.gz QDOAJRUACDGYLX-AYOQOUSVSA-N -1 3 394.471 3.849 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000543374154 859445719 /nfs/dbraw/zinc/44/57/19/859445719.db2.gz JMHBIUTXEXHHOS-SFHVURJKSA-N -1 3 382.851 3.733 20 0 GHADHM NC(=O)CN(Cc1ccccc1)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509445698 859457231 /nfs/dbraw/zinc/45/72/31/859457231.db2.gz BNOWWWUPAAXKBM-UHFFFAOYSA-N -1 3 397.425 3.774 20 0 GHADHM COC(=O)Nc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1F ZINC000764471058 859459636 /nfs/dbraw/zinc/45/96/36/859459636.db2.gz KQWIMWBTVOPEQD-UHFFFAOYSA-N -1 3 387.342 3.545 20 0 GHADHM CCNc1nc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)cs1 ZINC000483606748 859483028 /nfs/dbraw/zinc/48/30/28/859483028.db2.gz ZERBVRIXHREANG-UHFFFAOYSA-N -1 3 383.861 3.560 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1NC(=O)CC12CCCCC2 ZINC000673498577 859603463 /nfs/dbraw/zinc/60/34/63/859603463.db2.gz ULQVKSLBXKBYIY-UHFFFAOYSA-N -1 3 380.444 3.551 20 0 GHADHM C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502665 859625239 /nfs/dbraw/zinc/62/52/39/859625239.db2.gz FHVWBCALBIBBIM-HUUCEWRRSA-N -1 3 399.466 3.518 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466469479 859648298 /nfs/dbraw/zinc/64/82/98/859648298.db2.gz UCEXLNFKYMIOLB-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CCCCCNC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192927831 859805378 /nfs/dbraw/zinc/80/53/78/859805378.db2.gz VLOYBYOLBIXEQF-UHFFFAOYSA-N -1 3 391.518 3.784 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000484122988 859814034 /nfs/dbraw/zinc/81/40/34/859814034.db2.gz LSZHFTITGYQFQH-MRXNPFEDSA-N -1 3 398.365 3.512 20 0 GHADHM COc1ccc(F)cc1-c1csc(NC(=O)c2cc3c(cc2[O-])OCO3)n1 ZINC000436520088 859951781 /nfs/dbraw/zinc/95/17/81/859951781.db2.gz CMJUJSWMCHPTDX-UHFFFAOYSA-N -1 3 388.376 3.644 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cc2F)n1 ZINC000484437200 859999567 /nfs/dbraw/zinc/99/95/67/859999567.db2.gz IUOSLXIKBKBSLX-UHFFFAOYSA-N -1 3 375.407 3.693 20 0 GHADHM CCN(Cc1ccc(OC)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293544 881492682 /nfs/dbraw/zinc/49/26/82/881492682.db2.gz ZASBGYWGSPBVDU-UHFFFAOYSA-N -1 3 390.793 3.583 20 0 GHADHM Cc1nc(C)c(-c2csc(NC(=O)c3cc4c(cc3[O-])OCO4)n2)s1 ZINC000436554518 860055601 /nfs/dbraw/zinc/05/56/01/860055601.db2.gz JLUSMHAJUQTWMF-UHFFFAOYSA-N -1 3 375.431 3.570 20 0 GHADHM CC(C)OC[C@H](NCc1cc(F)ccc1Oc1cc(F)cc(F)c1)C(=O)[O-] ZINC000904026384 860067555 /nfs/dbraw/zinc/06/75/55/860067555.db2.gz STUZXSGWMNMONR-KRWDZBQOSA-N -1 3 383.366 3.864 20 0 GHADHM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000598145640 860075748 /nfs/dbraw/zinc/07/57/48/860075748.db2.gz MMOYMEQCLLBGAT-UHFFFAOYSA-N -1 3 384.476 3.502 20 0 GHADHM COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CCC(=O)N2C)cc1 ZINC000115710467 860085847 /nfs/dbraw/zinc/08/58/47/860085847.db2.gz IRPWTFZKWZMQEY-KXBFYZLASA-N -1 3 388.851 3.602 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cnn(C(C)C)c3)nc(=O)c2c1C ZINC000171981560 860096589 /nfs/dbraw/zinc/09/65/89/860096589.db2.gz ZMLBTIWYJKLPIE-WZUFQYTHSA-N -1 3 392.868 3.594 20 0 GHADHM O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471711220 860179066 /nfs/dbraw/zinc/17/90/66/860179066.db2.gz GPXRWRQTBBNBOP-GOSISDBHSA-N -1 3 378.453 3.699 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527448247 860179198 /nfs/dbraw/zinc/17/91/98/860179198.db2.gz LLLLJRRGIJQHBC-UHFFFAOYSA-N -1 3 376.456 3.957 20 0 GHADHM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC000527467006 860181528 /nfs/dbraw/zinc/18/15/28/860181528.db2.gz NMGIVORCAAJRIH-UHFFFAOYSA-N -1 3 380.410 3.940 20 0 GHADHM COc1ccc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c([O-])c1 ZINC000018215540 860202477 /nfs/dbraw/zinc/20/24/77/860202477.db2.gz GTJKXZJJODDLOL-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM COC(=O)c1sc2[n-]c(CSCc3ccccc3OC)nc(=O)c2c1C ZINC000019223002 860211591 /nfs/dbraw/zinc/21/15/91/860211591.db2.gz MQJLOOCAGJDDGC-UHFFFAOYSA-N -1 3 390.486 3.522 20 0 GHADHM Cc1c(CN2CCSCC2)cccc1N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904199594 860227186 /nfs/dbraw/zinc/22/71/86/860227186.db2.gz LATNCFAGQXPLHC-MSOLQXFVSA-N -1 3 375.538 3.535 20 0 GHADHM CCN(CCCNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1 ZINC000904203713 860233058 /nfs/dbraw/zinc/23/30/58/860233058.db2.gz PTPLAIZXSXIDJO-UHFFFAOYSA-N -1 3 385.508 3.587 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000602745526 860234836 /nfs/dbraw/zinc/23/48/36/860234836.db2.gz HNJSEYVSICTNPE-WCQYABFASA-N -1 3 377.282 3.941 20 0 GHADHM O=C([O-])CN(Cc1cc(Br)ccc1Br)C1CCC1 ZINC000904252100 860267440 /nfs/dbraw/zinc/26/74/40/860267440.db2.gz SPLXRKAXOYXHQB-UHFFFAOYSA-N -1 3 377.076 3.651 20 0 GHADHM CCC[C@@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H](O)c1ccccc1 ZINC000904235187 860273442 /nfs/dbraw/zinc/27/34/42/860273442.db2.gz FLWFVHFODMACCE-CTNGQTDRSA-N -1 3 386.492 3.573 20 0 GHADHM Cc1ccc(SCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000024887682 860354365 /nfs/dbraw/zinc/35/43/65/860354365.db2.gz RXZFYTBFOJCGBP-UHFFFAOYSA-N -1 3 378.519 3.796 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000171212854 860422971 /nfs/dbraw/zinc/42/29/71/860422971.db2.gz JCBYEDVQWMHUAW-CTNGQTDRSA-N -1 3 392.499 3.793 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643048 860549205 /nfs/dbraw/zinc/54/92/05/860549205.db2.gz VGJJENWNVWSAMM-RCCFBDPRSA-N -1 3 378.900 3.506 20 0 GHADHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)Cc2ccccc2O1 ZINC000489797138 860755580 /nfs/dbraw/zinc/75/55/80/860755580.db2.gz ZSBFTINSVYGBBM-LBPRGKRZSA-N -1 3 391.265 3.647 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1F ZINC000625089241 860862454 /nfs/dbraw/zinc/86/24/54/860862454.db2.gz ZTBXNSXODASLGY-GOEBONIOSA-N -1 3 381.444 3.719 20 0 GHADHM O=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(Br)ccc1[O-] ZINC000176440419 860877333 /nfs/dbraw/zinc/87/73/33/860877333.db2.gz ZJKUPBGGUAOTRI-UHFFFAOYSA-N -1 3 386.249 3.912 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC12CCOCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000329044560 860974012 /nfs/dbraw/zinc/97/40/12/860974012.db2.gz FKBSDYNRKPVFPY-AWEZNQCLSA-N -1 3 397.846 3.986 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000329059567 860983197 /nfs/dbraw/zinc/98/31/97/860983197.db2.gz JDSGYROTSCBDFV-GDLCADMTSA-N -1 3 395.830 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1C(F)(F)F ZINC000329060501 860983666 /nfs/dbraw/zinc/98/36/66/860983666.db2.gz JJDKZHBUAHUJES-RAIGVLPGSA-N -1 3 383.819 3.595 20 0 GHADHM O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cccc(Br)c1[O-] ZINC000730364884 861073695 /nfs/dbraw/zinc/07/36/95/861073695.db2.gz KICWCFMBPUAOTK-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000522715680 863127154 /nfs/dbraw/zinc/12/71/54/863127154.db2.gz WNASKBREGXVSAB-LLVKDONJSA-N -1 3 390.361 3.812 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000172029296 863144845 /nfs/dbraw/zinc/14/48/45/863144845.db2.gz PVYNLASCLSVAFI-NXEZZACHSA-N -1 3 376.881 3.541 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000444039231 863197016 /nfs/dbraw/zinc/19/70/16/863197016.db2.gz LIWGHZTZLZABDQ-UHFFFAOYSA-N -1 3 376.547 3.599 20 0 GHADHM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000282647503 863268838 /nfs/dbraw/zinc/26/88/38/863268838.db2.gz MALLULSNTUCTJI-LBPRGKRZSA-N -1 3 397.866 3.609 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120674394 881667109 /nfs/dbraw/zinc/66/71/09/881667109.db2.gz SHDLLZZTCPYRBZ-UHFFFAOYSA-N -1 3 399.454 3.865 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120674394 881667117 /nfs/dbraw/zinc/66/71/17/881667117.db2.gz SHDLLZZTCPYRBZ-UHFFFAOYSA-N -1 3 399.454 3.865 20 0 GHADHM CCO[C@H]1C[C@H](N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1(C)C ZINC000120576950 881676462 /nfs/dbraw/zinc/67/64/62/881676462.db2.gz ABFPYTYNNVUIAR-GJZGRUSLSA-N -1 3 387.505 3.880 20 0 GHADHM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)[C@H](C)CO1 ZINC000499242325 881685354 /nfs/dbraw/zinc/68/53/54/881685354.db2.gz FXOOAXXKYSQQEZ-BFUOFWGJSA-N -1 3 398.409 3.717 20 0 GHADHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606644781 863745097 /nfs/dbraw/zinc/74/50/97/863745097.db2.gz CYODDXGQFKZCPV-NSHDSACASA-N -1 3 381.245 3.724 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000606691618 863782461 /nfs/dbraw/zinc/78/24/61/863782461.db2.gz RIMBRAXXMYUZJK-AWEZNQCLSA-N -1 3 397.372 3.628 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1cccc(C)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000572591917 863882062 /nfs/dbraw/zinc/88/20/62/863882062.db2.gz BVJVGFFXCDSUIS-CYBMUJFWSA-N -1 3 394.830 3.647 20 0 GHADHM Cc1cc(F)cc2c(O)c(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cnc12 ZINC000158732016 863936955 /nfs/dbraw/zinc/93/69/55/863936955.db2.gz BVMUYEFRWAXFQB-UHFFFAOYSA-N -1 3 380.297 3.952 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCc2ccc3ccccc3c2)ccc1F ZINC000734029782 863940844 /nfs/dbraw/zinc/94/08/44/863940844.db2.gz MTGQAOSDTQLIAI-UHFFFAOYSA-N -1 3 387.432 3.750 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)c(=O)[n-]1 ZINC000480080021 863982464 /nfs/dbraw/zinc/98/24/64/863982464.db2.gz FTDYMECIVPVJDA-UHFFFAOYSA-N -1 3 379.464 3.904 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC1(Cl)Cl)c1ccc(F)cc1C(F)(F)F ZINC000856751055 881718451 /nfs/dbraw/zinc/71/84/51/881718451.db2.gz WMZUWLOBWJEADA-ZETCQYMHSA-N -1 3 380.190 3.707 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000480141141 864157119 /nfs/dbraw/zinc/15/71/19/864157119.db2.gz BQRROVABWSOXEM-WBVHZDCISA-N -1 3 386.517 3.975 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000155802638 864209209 /nfs/dbraw/zinc/20/92/09/864209209.db2.gz HFZYWYPTOQFACU-UHFFFAOYSA-N -1 3 384.501 3.610 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1C ZINC000734409880 864223030 /nfs/dbraw/zinc/22/30/30/864223030.db2.gz BYOJJNZQHZYMKP-OAHLLOKOSA-N -1 3 392.496 3.620 20 0 GHADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Br)c([O-])c1 ZINC000132834359 881745118 /nfs/dbraw/zinc/74/51/18/881745118.db2.gz PORHJLSQUYEXOK-HNNXBMFYSA-N -1 3 393.281 3.705 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(C(=O)N=c2cc3ccccn3[n-]2)CC1 ZINC000554412191 864282925 /nfs/dbraw/zinc/28/29/25/864282925.db2.gz USQNHNBRVSIKJZ-UHFFFAOYSA-N -1 3 388.475 3.537 20 0 GHADHM CCCNC(=O)c1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000607385169 864328320 /nfs/dbraw/zinc/32/83/20/864328320.db2.gz MRDUKYKXQGPSIL-UHFFFAOYSA-N -1 3 382.851 3.544 20 0 GHADHM CC(C)(C)[C@H]1CCc2nc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000480257628 864341324 /nfs/dbraw/zinc/34/13/24/864341324.db2.gz CVVCWRRYTXPXQQ-JTQLQIEISA-N -1 3 382.507 3.543 20 0 GHADHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621721028 864380799 /nfs/dbraw/zinc/38/07/99/864380799.db2.gz ZZGPMPGSDCIZHW-CHWSQXEVSA-N -1 3 386.414 3.568 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Cl)nc1Cl ZINC000734847477 864474004 /nfs/dbraw/zinc/47/40/04/864474004.db2.gz KOISYMNHFJEJOZ-OIBJUYFYSA-N -1 3 379.215 3.501 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)ccc1OC1CCCC1 ZINC000163538309 864533041 /nfs/dbraw/zinc/53/30/41/864533041.db2.gz DXEQAILRBJAKPK-CYBMUJFWSA-N -1 3 380.448 3.779 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000621868481 864534391 /nfs/dbraw/zinc/53/43/91/864534391.db2.gz SYVIPUMPOKPRRB-UHFFFAOYSA-N -1 3 377.448 3.831 20 0 GHADHM CC(C)c1ccc2c(Cl)c(C(=O)NCCCc3c[n-][nH]c3=O)sc2c1 ZINC000898733071 864560401 /nfs/dbraw/zinc/56/04/01/864560401.db2.gz PTMLWUDKOVXFMU-GFCCVEGCSA-N -1 3 377.897 3.920 20 0 GHADHM CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)C1 ZINC000120834795 881779958 /nfs/dbraw/zinc/77/99/58/881779958.db2.gz GOSBGFJEYKRPPO-HNNXBMFYSA-N -1 3 390.480 3.807 20 0 GHADHM CCc1noc(C)c1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444333265 864607683 /nfs/dbraw/zinc/60/76/83/864607683.db2.gz WRHLUUKQHCRAKF-UHFFFAOYSA-N -1 3 381.310 3.538 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc(-c3ccccc3)nc2)c(C(=O)OCC)[n-]1 ZINC000191963325 864669019 /nfs/dbraw/zinc/66/90/19/864669019.db2.gz ZAFUENVYJXOYKU-UHFFFAOYSA-N -1 3 393.447 3.638 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)c(C)c1C ZINC000735407820 864787830 /nfs/dbraw/zinc/78/78/30/864787830.db2.gz QZXUKHMYKHSXQR-UHFFFAOYSA-N -1 3 396.459 3.991 20 0 GHADHM COCc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C(F)(F)F ZINC000622163404 864818996 /nfs/dbraw/zinc/81/89/96/864818996.db2.gz VBMYBTSNXQAFMJ-UHFFFAOYSA-N -1 3 383.370 3.536 20 0 GHADHM CC(C)N(CC(F)F)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444342403 864897778 /nfs/dbraw/zinc/89/77/78/864897778.db2.gz OLQUHUPOGKAWRF-UHFFFAOYSA-N -1 3 378.297 3.542 20 0 GHADHM Cc1cc2c(cc1C)[C@@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)CO2 ZINC000184750962 864909914 /nfs/dbraw/zinc/90/99/14/864909914.db2.gz VHMRVDGMGVSDDI-AWEZNQCLSA-N -1 3 379.243 3.547 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)s1 ZINC000609802755 864932854 /nfs/dbraw/zinc/93/28/54/864932854.db2.gz OAKOIQFMXVCNHE-MRVPVSSYSA-N -1 3 394.301 3.881 20 0 GHADHM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000120963342 881821851 /nfs/dbraw/zinc/82/18/51/881821851.db2.gz YSYHUMMYFMCMBT-OAHLLOKOSA-N -1 3 392.908 3.844 20 0 GHADHM CCCc1ccc(-c2nc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)sc2C)cc1 ZINC000031226736 864976712 /nfs/dbraw/zinc/97/67/12/864976712.db2.gz GGJWYQCZMRAXKO-UHFFFAOYSA-N -1 3 396.516 3.952 20 0 GHADHM O=C(Cc1[nH]nc2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444360398 865109237 /nfs/dbraw/zinc/10/92/37/865109237.db2.gz DCCUZXJCMHJPTO-UHFFFAOYSA-N -1 3 392.459 3.512 20 0 GHADHM O=C(Cc1n[nH]c2ccccc12)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444360398 865109243 /nfs/dbraw/zinc/10/92/43/865109243.db2.gz DCCUZXJCMHJPTO-UHFFFAOYSA-N -1 3 392.459 3.512 20 0 GHADHM C[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736192788 865152542 /nfs/dbraw/zinc/15/25/42/865152542.db2.gz MHZLPKTVOOMDHK-SNVBAGLBSA-N -1 3 399.867 3.742 20 0 GHADHM C[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736192788 865152548 /nfs/dbraw/zinc/15/25/48/865152548.db2.gz MHZLPKTVOOMDHK-SNVBAGLBSA-N -1 3 399.867 3.742 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736244506 865159805 /nfs/dbraw/zinc/15/98/05/865159805.db2.gz JGMWIFFTKRJZJY-IUODEOHRSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736244506 865159809 /nfs/dbraw/zinc/15/98/09/865159809.db2.gz JGMWIFFTKRJZJY-IUODEOHRSA-N -1 3 382.493 3.679 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000736211598 865160811 /nfs/dbraw/zinc/16/08/11/865160811.db2.gz PRDXEJKMBFEUSH-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000736211598 865160820 /nfs/dbraw/zinc/16/08/20/865160820.db2.gz PRDXEJKMBFEUSH-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000622738938 865195183 /nfs/dbraw/zinc/19/51/83/865195183.db2.gz MXUHLUBANDYLOG-NSHDSACASA-N -1 3 381.398 3.740 20 0 GHADHM CCN(C(=O)c1csc(-c2ccoc2)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509178 865225405 /nfs/dbraw/zinc/22/54/05/865225405.db2.gz UDAGOURCZGAGPG-LBPRGKRZSA-N -1 3 394.460 3.807 20 0 GHADHM CCN(C(=O)c1csc(-c2ccoc2)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509178 865225420 /nfs/dbraw/zinc/22/54/20/865225420.db2.gz UDAGOURCZGAGPG-LBPRGKRZSA-N -1 3 394.460 3.807 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000480756615 865234045 /nfs/dbraw/zinc/23/40/45/865234045.db2.gz KKNGECCXQLYQSC-NSHDSACASA-N -1 3 379.459 3.629 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(F)ccc1Cl ZINC000171422838 865246535 /nfs/dbraw/zinc/24/65/35/865246535.db2.gz NJITWSVNOQTDOF-KSSFIOAISA-N -1 3 383.872 3.925 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1c[nH]c2c1cccc2C ZINC000736625586 865249607 /nfs/dbraw/zinc/24/96/07/865249607.db2.gz CVZBKMRWABBEIC-UHFFFAOYSA-N -1 3 391.431 3.593 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1c[nH]c2c1cccc2C ZINC000736625586 865249621 /nfs/dbraw/zinc/24/96/21/865249621.db2.gz CVZBKMRWABBEIC-UHFFFAOYSA-N -1 3 391.431 3.593 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736700122 865261989 /nfs/dbraw/zinc/26/19/89/865261989.db2.gz QMMDXBXDUAZKQW-NSHDSACASA-N -1 3 387.538 3.584 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000736700122 865262005 /nfs/dbraw/zinc/26/20/05/865262005.db2.gz QMMDXBXDUAZKQW-NSHDSACASA-N -1 3 387.538 3.584 20 0 GHADHM CC(C)(C)N=c1[n-]nc([C@@H]2CCCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCO1 ZINC000622762858 865290546 /nfs/dbraw/zinc/29/05/46/865290546.db2.gz DAZCGKCDZWZAMF-GVDBMIGSSA-N -1 3 378.561 3.788 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000737090845 865360906 /nfs/dbraw/zinc/36/09/06/865360906.db2.gz UYJLUZUEYRWUEL-UHFFFAOYSA-N -1 3 381.333 3.688 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000737090845 865360923 /nfs/dbraw/zinc/36/09/23/865360923.db2.gz UYJLUZUEYRWUEL-UHFFFAOYSA-N -1 3 381.333 3.688 20 0 GHADHM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC[C@H]1c1ccccc1 ZINC000608467263 865374629 /nfs/dbraw/zinc/37/46/29/865374629.db2.gz CSQCVGBVIKTHKE-QFUCXCTJSA-N -1 3 392.499 3.649 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3cc(F)cc4nc(C)c(C)nc43)n[nH]2)cc1 ZINC000171882903 865402184 /nfs/dbraw/zinc/40/21/84/865402184.db2.gz KKDMAZYNZDYUAM-UHFFFAOYSA-N -1 3 376.395 3.732 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(Cl)c3)n2)ccc1F ZINC000532367312 881871870 /nfs/dbraw/zinc/87/18/70/881871870.db2.gz TXESKDGHPIZIIY-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000738376745 865534225 /nfs/dbraw/zinc/53/42/25/865534225.db2.gz BMNJGKCSQNRNRL-UHFFFAOYSA-N -1 3 389.329 3.992 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccc(Cl)cc1)c1cccnc1Cl ZINC000738353148 865545404 /nfs/dbraw/zinc/54/54/04/865545404.db2.gz LYXYQIRNZYCILW-UHFFFAOYSA-N -1 3 375.277 3.526 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3ccc(F)cc3F)s2)c2ccccc21 ZINC000920177032 881884413 /nfs/dbraw/zinc/88/44/13/881884413.db2.gz FHAKQDMPXPAZAD-MHWRWJLKSA-N -1 3 397.406 3.735 20 0 GHADHM Cc1cc(F)cc(C)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000622887289 865680317 /nfs/dbraw/zinc/68/03/17/865680317.db2.gz RJWWEQCTNJJVJG-UHFFFAOYSA-N -1 3 394.166 3.638 20 0 GHADHM O=C(OCc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740214537 865860372 /nfs/dbraw/zinc/86/03/72/865860372.db2.gz PHVJXGFHPRVOFE-HXUWFJFHSA-N -1 3 375.424 3.893 20 0 GHADHM CSc1nc2ccccc2c(C)c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000622967486 865862513 /nfs/dbraw/zinc/86/25/13/865862513.db2.gz 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394.515 3.554 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000620494747 866791041 /nfs/dbraw/zinc/79/10/41/866791041.db2.gz XDIQRAHZINTMSG-UHFFFAOYSA-N -1 3 387.418 3.564 20 0 GHADHM CC1(c2cccc(Cl)c2)CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000478908021 866857019 /nfs/dbraw/zinc/85/70/19/866857019.db2.gz HOZQLZWFGIYZBD-UHFFFAOYSA-N -1 3 397.862 3.809 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)c([O-])c1 ZINC000456643102 866954439 /nfs/dbraw/zinc/95/44/39/866954439.db2.gz ICCYPPXYMSJJEI-CQSZACIVSA-N -1 3 388.430 3.527 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)OC)cc2)cc1 ZINC000610194067 882033942 /nfs/dbraw/zinc/03/39/42/882033942.db2.gz VXHXFVQVGJURJC-UHFFFAOYSA-N -1 3 375.490 3.891 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(SC(F)F)cc1 ZINC000742024812 867013253 /nfs/dbraw/zinc/01/32/53/867013253.db2.gz BLNXDZAPCIEGNJ-UHFFFAOYSA-N -1 3 377.409 3.961 20 0 GHADHM CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153672179 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394.250 3.706 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(=O)[n-]c(C5CC5)n4)CC3)c2c1 ZINC000553365009 867269503 /nfs/dbraw/zinc/26/95/03/867269503.db2.gz IBPFESOLAXNIII-UHFFFAOYSA-N -1 3 392.459 3.569 20 0 GHADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000523424205 867295742 /nfs/dbraw/zinc/29/57/42/867295742.db2.gz BZYYLJXXIKJFAB-UHFFFAOYSA-N -1 3 385.464 3.742 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553518318 867577656 /nfs/dbraw/zinc/57/76/56/867577656.db2.gz CBZXCGOUKHWIKB-GOSISDBHSA-N -1 3 380.835 3.627 20 0 GHADHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000479333749 867580876 /nfs/dbraw/zinc/58/08/76/867580876.db2.gz JEJILXUAGUSFNT-BXUZGUMPSA-N -1 3 383.407 3.717 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cc3ccc(OC)cc3)c2)n1 ZINC000154858182 867633725 /nfs/dbraw/zinc/63/37/25/867633725.db2.gz AWCXCWVUSOIKIK-HNNXBMFYSA-N -1 3 391.471 3.825 20 0 GHADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000479402331 867673450 /nfs/dbraw/zinc/67/34/50/867673450.db2.gz NQYUALSSYDOLSN-LIRRHRJNSA-N -1 3 390.480 3.887 20 0 GHADHM COCCN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000195341231 882123001 /nfs/dbraw/zinc/12/30/01/882123001.db2.gz UIXSHGWBEFQDIV-UHFFFAOYSA-N -1 3 395.484 3.893 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000128280822 867761393 /nfs/dbraw/zinc/76/13/93/867761393.db2.gz ILBJYUJMIWSXQD-CYBMUJFWSA-N -1 3 387.779 3.526 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000620908449 867982052 /nfs/dbraw/zinc/98/20/52/867982052.db2.gz COOMVPWXRNHSTF-MRXNPFEDSA-N -1 3 387.483 3.584 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000155918430 868182944 /nfs/dbraw/zinc/18/29/44/868182944.db2.gz KOCHBCGKQLKMTN-HXUWFJFHSA-N -1 3 381.520 3.581 20 0 GHADHM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857275078 882162592 /nfs/dbraw/zinc/16/25/92/882162592.db2.gz SODWPOHYRXFLAP-NSHDSACASA-N -1 3 390.402 3.834 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000553807802 868263723 /nfs/dbraw/zinc/26/37/23/868263723.db2.gz WQFALYJXNJFKCY-DGCLKSJQSA-N -1 3 393.333 3.698 20 0 GHADHM O=S(=O)([N-]CCCCCOC1CCCCC1)c1cccnc1C(F)(F)F ZINC000553834102 868291412 /nfs/dbraw/zinc/29/14/12/868291412.db2.gz VXIKMMPQMNUAGC-UHFFFAOYSA-N -1 3 394.459 3.898 20 0 GHADHM CCOCCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000156444376 868368694 /nfs/dbraw/zinc/36/86/94/868368694.db2.gz LVWCQAARNUSJMU-UHFFFAOYSA-N -1 3 385.302 3.551 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2OC)n1 ZINC000479736344 868435961 /nfs/dbraw/zinc/43/59/61/868435961.db2.gz ZUPXMVJPMDFNJV-UHFFFAOYSA-N -1 3 389.415 3.950 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457684684 868626519 /nfs/dbraw/zinc/62/65/19/868626519.db2.gz ZBZSLBQBGGZYOV-UHFFFAOYSA-N -1 3 380.235 3.744 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@H]1c1ccccc1Cl ZINC000648431259 882209457 /nfs/dbraw/zinc/20/94/57/882209457.db2.gz OJYGLFPELGPLKZ-UWVGGRQHSA-N -1 3 378.181 3.916 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F ZINC000428410480 868681232 /nfs/dbraw/zinc/68/12/32/868681232.db2.gz BBAWGFALORFGRN-LURJTMIESA-N -1 3 380.613 3.579 20 0 GHADHM CC(C)(C)n1nc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1C1CC1 ZINC000648433049 882222245 /nfs/dbraw/zinc/22/22/45/882222245.db2.gz QNIWQHVMLGSDIZ-UHFFFAOYSA-N -1 3 389.809 3.602 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000648433375 882222986 /nfs/dbraw/zinc/22/29/86/882222986.db2.gz ZRQUVWAVHOKMGR-ZJUUUORDSA-N -1 3 379.716 3.541 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4[nH]c(=O)oc4c3)nc(=O)c2c1C ZINC000920617721 882224339 /nfs/dbraw/zinc/22/43/39/882224339.db2.gz NMRYCRJSWWCURI-MRVPVSSYSA-N -1 3 385.401 3.779 20 0 GHADHM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN([C@H]4C[C@@H]4C)C[C@H](C)C3)n2)c1 ZINC000554128434 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3.911 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000122177602 868940455 /nfs/dbraw/zinc/94/04/55/868940455.db2.gz QABRYMLTOQLJHK-LBPRGKRZSA-N -1 3 381.398 3.558 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000524357403 868962874 /nfs/dbraw/zinc/96/28/74/868962874.db2.gz SBFOLTAKUZMFFB-GOSISDBHSA-N -1 3 395.503 3.937 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(CSc2ccc(C)cc2C)c1 ZINC000524409166 869029878 /nfs/dbraw/zinc/02/98/78/869029878.db2.gz JLZFEQLJHSROAU-IBGZPJMESA-N -1 3 395.528 3.838 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)N2CCCC2)cc1 ZINC000462273523 869129561 /nfs/dbraw/zinc/12/95/61/869129561.db2.gz QICKXBYFLXNQQC-SFHVURJKSA-N -1 3 398.450 3.528 20 0 GHADHM CSc1ccc(C)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000539445167 869149800 /nfs/dbraw/zinc/14/98/00/869149800.db2.gz VQLGLHAZQPELPL-UHFFFAOYSA-N -1 3 394.500 3.742 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)s1 ZINC000462340333 869256155 /nfs/dbraw/zinc/25/61/55/869256155.db2.gz LJGVDNDDNVMJOJ-UHFFFAOYSA-N -1 3 390.299 3.926 20 0 GHADHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000615231744 882282842 /nfs/dbraw/zinc/28/28/42/882282842.db2.gz TUJRDSICLCJOIK-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=c1cc(N2CC[C@@H](Nc3oc(-c4ccccc4)nc3C(F)(F)F)C2)nc[n-]1 ZINC000897345299 869293688 /nfs/dbraw/zinc/29/36/88/869293688.db2.gz LBNDTGCXVKSEGH-GFCCVEGCSA-N -1 3 391.353 3.547 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000737559842 869319306 /nfs/dbraw/zinc/31/93/06/869319306.db2.gz AOUDYGOVQSCLTJ-WDEREUQCSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000737559842 869319317 /nfs/dbraw/zinc/31/93/17/869319317.db2.gz AOUDYGOVQSCLTJ-WDEREUQCSA-N -1 3 375.404 3.565 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cc3ccccc3F)c2)n1 ZINC000152188567 869360956 /nfs/dbraw/zinc/36/09/56/869360956.db2.gz SDDQFFRLGSWAET-AWEZNQCLSA-N -1 3 379.435 3.956 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(C3CCCC3)no2)c1 ZINC000524630991 869372197 /nfs/dbraw/zinc/37/21/97/869372197.db2.gz HDNWFCVOKVNIHL-UHFFFAOYSA-N -1 3 376.413 3.662 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000446173157 869468225 /nfs/dbraw/zinc/46/82/25/869468225.db2.gz QNOQTZGBJXUSIP-AWEZNQCLSA-N -1 3 389.333 3.796 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446229901 869576656 /nfs/dbraw/zinc/57/66/56/869576656.db2.gz WGTFWZPCVUWJFT-NSHDSACASA-N -1 3 395.640 3.873 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccc(Cl)cc1 ZINC000462581090 869710491 /nfs/dbraw/zinc/71/04/91/869710491.db2.gz ZSRAXNVKCGTWCR-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(-c3ccc(C)cc3)no2)cc1[O-] ZINC000745656494 869711046 /nfs/dbraw/zinc/71/10/46/869711046.db2.gz XHJMODHYNQZIAC-UHFFFAOYSA-N -1 3 382.372 3.891 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1[O-] ZINC000745652277 869721048 /nfs/dbraw/zinc/72/10/48/869721048.db2.gz GZBNZVHLZWUKBC-UHFFFAOYSA-N -1 3 397.383 3.651 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1[O-] ZINC000745652196 869721327 /nfs/dbraw/zinc/72/13/27/869721327.db2.gz HTNZLXPASXOQJR-LBPRGKRZSA-N -1 3 397.387 3.847 20 0 GHADHM NC(=O)Nc1cccc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1 ZINC000446366921 869755643 /nfs/dbraw/zinc/75/56/43/869755643.db2.gz PALXXGCRAYBOLS-UHFFFAOYSA-N -1 3 390.230 3.548 20 0 GHADHM COC[C@@H](C)CC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000446368744 869755761 /nfs/dbraw/zinc/75/57/61/869755761.db2.gz JGSLCAFCUVECAJ-VIFPVBQESA-N -1 3 386.677 3.526 20 0 GHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000462620414 869768791 /nfs/dbraw/zinc/76/87/91/869768791.db2.gz SDTWMLUSEWGITM-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM O=C(CCc1cncc2ccccc21)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000462772141 870067785 /nfs/dbraw/zinc/06/77/85/870067785.db2.gz HGZSXGJZACOQHZ-UHFFFAOYSA-N -1 3 378.382 3.896 20 0 GHADHM CCN(Cc1ccc(OC)cc1OC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000746144642 870077198 /nfs/dbraw/zinc/07/71/98/870077198.db2.gz ZMYRXEGEIOXDCJ-UHFFFAOYSA-N -1 3 383.444 3.846 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000539956923 870090770 /nfs/dbraw/zinc/09/07/70/870090770.db2.gz WIWAEWRCUULQIE-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000539956923 870090781 /nfs/dbraw/zinc/09/07/81/870090781.db2.gz WIWAEWRCUULQIE-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM COc1ccc(O[C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3[O-])C2)nc1 ZINC001192322776 870288592 /nfs/dbraw/zinc/28/85/92/870288592.db2.gz NJULCCSQINYDDR-KRWDZBQOSA-N -1 3 384.476 3.777 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192326621 870289762 /nfs/dbraw/zinc/28/97/62/870289762.db2.gz NWIMCGURAKUBEG-DLBZAZTESA-N -1 3 388.508 3.914 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NCC2(Cc3ccncc3)CCOCC2)c([O-])c1 ZINC001192340894 870301244 /nfs/dbraw/zinc/30/12/44/870301244.db2.gz TVPDTZTVMLGBRC-UHFFFAOYSA-N -1 3 382.504 3.854 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC001192354337 870314180 /nfs/dbraw/zinc/31/41/80/870314180.db2.gz PXDAKPJBIBEDLX-UHFFFAOYSA-N -1 3 384.386 3.631 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(C(C)C)cc2)c(F)c1 ZINC001192468916 870388374 /nfs/dbraw/zinc/38/83/74/870388374.db2.gz RUQCYBDQHVHTQO-UHFFFAOYSA-N -1 3 393.480 3.949 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3SCCc4ccccc43)cc2)n1 ZINC000173827147 882408085 /nfs/dbraw/zinc/40/80/85/882408085.db2.gz BEIFWLIZSDXODQ-IBGZPJMESA-N -1 3 377.469 3.714 20 0 GHADHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000446822978 870466299 /nfs/dbraw/zinc/46/62/99/870466299.db2.gz HKMILPCGSKYJKG-UHFFFAOYSA-N -1 3 388.251 3.961 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cn2cccnc2n1 ZINC000538773468 870583444 /nfs/dbraw/zinc/58/34/44/870583444.db2.gz QBRFLJSFCWOSAA-UHFFFAOYSA-N -1 3 387.424 3.964 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)n(Cc2ccccc2)n1 ZINC001192744994 870626565 /nfs/dbraw/zinc/62/65/65/870626565.db2.gz CUXMJMXEFZGLDX-UHFFFAOYSA-N -1 3 392.385 3.618 20 0 GHADHM CC(C)(C)c1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)n(Cc2ccccc2)n1 ZINC001192744994 870626571 /nfs/dbraw/zinc/62/65/71/870626571.db2.gz CUXMJMXEFZGLDX-UHFFFAOYSA-N -1 3 392.385 3.618 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)CSc3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000461628502 870658321 /nfs/dbraw/zinc/65/83/21/870658321.db2.gz HKFCOCAKSISZCD-UHFFFAOYSA-N -1 3 399.516 3.611 20 0 GHADHM CC(C)Cc1ccc(CCCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000461629138 870661039 /nfs/dbraw/zinc/66/10/39/870661039.db2.gz UFVGTXBOUDHJKQ-UHFFFAOYSA-N -1 3 395.503 3.743 20 0 GHADHM COC(=O)c1nc(NC(=O)CCCc2ccc([O-])c(F)c2)sc1C1CC1 ZINC000617656517 870663481 /nfs/dbraw/zinc/66/34/81/870663481.db2.gz UNTAPZRRERAMKP-UHFFFAOYSA-N -1 3 378.425 3.613 20 0 GHADHM O=C(c1c([O-])ccc(F)c1F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001192754299 870670819 /nfs/dbraw/zinc/67/08/19/870670819.db2.gz QHJQOPKUBXPLOW-UHFFFAOYSA-N -1 3 395.365 3.818 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](OCc2ccccc2)CC1)c1cnccc1Cl ZINC001192854143 870732679 /nfs/dbraw/zinc/73/26/79/870732679.db2.gz YNVAMJVCMZKFMV-WKILWMFISA-N -1 3 380.897 3.541 20 0 GHADHM O=S(=O)([N-]c1c(Br)ncc2ccccc21)c1cnccc1Cl ZINC001192855191 870734563 /nfs/dbraw/zinc/73/45/63/870734563.db2.gz ANKJOUZHGXKYGZ-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1 ZINC000540213721 870748750 /nfs/dbraw/zinc/74/87/50/870748750.db2.gz WLWMEHYYQFNMFW-UHFFFAOYSA-N -1 3 386.477 3.752 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1cccc(F)c1)c1cnccc1Cl ZINC001192924678 870789312 /nfs/dbraw/zinc/78/93/12/870789312.db2.gz GLVOROYUTIFFLK-QGZVFWFLSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2C(=O)OC(C)(C)C)cc1F ZINC001193120664 870896109 /nfs/dbraw/zinc/89/61/09/870896109.db2.gz RIFWFSVNCJPYOK-UHFFFAOYSA-N -1 3 397.443 3.707 20 0 GHADHM COc1cccc(NC(=O)[C@H](OC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000003507642 870899506 /nfs/dbraw/zinc/89/95/06/870899506.db2.gz XKCYQKUYDIKFIH-HXUWFJFHSA-N -1 3 377.396 3.938 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N(Cc1ccccn1)C1CCCCC1 ZINC001193149416 870920057 /nfs/dbraw/zinc/92/00/57/870920057.db2.gz DRDBWMKPNXSPTF-UHFFFAOYSA-N -1 3 390.281 3.920 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](CC)c2ccc(Cl)cc2)n1 ZINC000447044704 870953541 /nfs/dbraw/zinc/95/35/41/870953541.db2.gz OAMVGHLMUMEFQW-OAHLLOKOSA-N -1 3 379.913 3.899 20 0 GHADHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000181419570 870992907 /nfs/dbraw/zinc/99/29/07/870992907.db2.gz AEMGWNUKDIEUDC-LBPRGKRZSA-N -1 3 378.837 3.518 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1Cl ZINC001193275470 870998119 /nfs/dbraw/zinc/99/81/19/870998119.db2.gz UDUCHUOCRDZCBA-GFCCVEGCSA-N -1 3 390.889 3.608 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccns1 ZINC001193299260 871010882 /nfs/dbraw/zinc/01/08/82/871010882.db2.gz VEUYATTUMNOVNA-ZCFIWIBFSA-N -1 3 399.694 3.738 20 0 GHADHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000181515053 871127445 /nfs/dbraw/zinc/12/74/45/871127445.db2.gz AEBGVWARDYESKG-HNNXBMFYSA-N -1 3 392.431 3.815 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)[n-]n1 ZINC001193703681 871264440 /nfs/dbraw/zinc/26/44/40/871264440.db2.gz JPVANJAWSOCBDM-UHFFFAOYSA-N -1 3 385.342 3.645 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)n[n-]1 ZINC001193703681 871264456 /nfs/dbraw/zinc/26/44/56/871264456.db2.gz JPVANJAWSOCBDM-UHFFFAOYSA-N -1 3 385.342 3.645 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)c[nH]2)cc1 ZINC001193775080 871274840 /nfs/dbraw/zinc/27/48/40/871274840.db2.gz POVZJXRGTXQGEN-SFHVURJKSA-N -1 3 397.475 3.646 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447269435 871292624 /nfs/dbraw/zinc/29/26/24/871292624.db2.gz BFHDPPQQHXOZSJ-UHFFFAOYSA-N -1 3 377.393 3.904 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c2ccccc12 ZINC001193824440 871329761 /nfs/dbraw/zinc/32/97/61/871329761.db2.gz ISUKDQZXBHGLAH-UHFFFAOYSA-N -1 3 382.485 3.786 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)c1Cl ZINC001193830157 871330239 /nfs/dbraw/zinc/33/02/39/871330239.db2.gz NHABRXRPTSXCSP-WFASDCNBSA-N -1 3 378.321 3.785 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447275407 871342065 /nfs/dbraw/zinc/34/20/65/871342065.db2.gz UTQJDDIFJVMTSL-UHFFFAOYSA-N -1 3 377.315 3.570 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(-c3nc(CC4CC4)no3)c2)cc1 ZINC000525750006 871380012 /nfs/dbraw/zinc/38/00/12/871380012.db2.gz GYRDOYMMNDYWML-UHFFFAOYSA-N -1 3 399.472 3.807 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(=O)c1c(C)cc(O)cc1[O-] ZINC001193910462 871390483 /nfs/dbraw/zinc/39/04/83/871390483.db2.gz DFDSGTCAWZFUFQ-QGZVFWFLSA-N -1 3 382.460 3.656 20 0 GHADHM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000618236402 871422040 /nfs/dbraw/zinc/42/20/40/871422040.db2.gz ORSZJBPRSVAGFN-HNNXBMFYSA-N -1 3 389.455 3.795 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000122342145 882513530 /nfs/dbraw/zinc/51/35/30/882513530.db2.gz DBSAMXSOSQMZOO-GUYCJALGSA-N -1 3 396.340 3.708 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc3ccc(C)nc31)c2=O ZINC000540547271 871542986 /nfs/dbraw/zinc/54/29/86/871542986.db2.gz VNYCNWOCBQLTCK-UHFFFAOYSA-N -1 3 377.375 3.785 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001169542732 871621806 /nfs/dbraw/zinc/62/18/06/871621806.db2.gz ZRXFQKFINPQNKW-BEFAXECRSA-N -1 3 393.462 3.720 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC34CCC(CC3)C4)n2)ccc1F ZINC000462113313 871633849 /nfs/dbraw/zinc/63/38/49/871633849.db2.gz SGBMCMWXEMDAMI-VFPJAPOESA-N -1 3 393.484 3.745 20 0 GHADHM C[S@@](=O)c1nc(Cl)c(Br)c(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212591405 871640767 /nfs/dbraw/zinc/64/07/67/871640767.db2.gz KRYJPWMJJOBUSY-HXUWFJFHSA-N -1 3 397.081 3.733 20 0 GHADHM COC(=O)c1nc2ccc(NC3(c4ccccc4C(F)(F)F)CC3)nc2[n-]1 ZINC001169636713 871700338 /nfs/dbraw/zinc/70/03/38/871700338.db2.gz MSFATKZTWASSEN-UHFFFAOYSA-N -1 3 376.338 3.865 20 0 GHADHM COC(=O)c1nc2nc(NC3(c4ccccc4C(F)(F)F)CC3)ccc2[n-]1 ZINC001169636713 871700351 /nfs/dbraw/zinc/70/03/51/871700351.db2.gz MSFATKZTWASSEN-UHFFFAOYSA-N -1 3 376.338 3.865 20 0 GHADHM COC(=O)c1nc2ccc(NC3(c4ccccc4C(F)(F)F)CC3)[n-]c-2n1 ZINC001169636713 871700363 /nfs/dbraw/zinc/70/03/63/871700363.db2.gz MSFATKZTWASSEN-UHFFFAOYSA-N -1 3 376.338 3.865 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194501901 871751946 /nfs/dbraw/zinc/75/19/46/871751946.db2.gz SLBYYHKXQLHMRC-UHFFFAOYSA-N -1 3 394.811 3.753 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2ccc(Br)cc2)CCC1 ZINC000525966792 871813589 /nfs/dbraw/zinc/81/35/89/871813589.db2.gz XKEQVHKNDBMZOA-OAHLLOKOSA-N -1 3 390.281 3.506 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1SCc1cscn1 ZINC000525967656 871815781 /nfs/dbraw/zinc/81/57/81/871815781.db2.gz YEMHWGJXXSOOGJ-HNNXBMFYSA-N -1 3 386.502 3.684 20 0 GHADHM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)cc21 ZINC001169777441 871839208 /nfs/dbraw/zinc/83/92/08/871839208.db2.gz DIFNPUWFBDVSTK-LLVKDONJSA-N -1 3 395.846 3.904 20 0 GHADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C[C@@H]1CCC[C@H]1O ZINC000253555641 871879182 /nfs/dbraw/zinc/87/91/82/871879182.db2.gz KNCQKUZVVZYEJO-XJKSGUPXSA-N -1 3 387.480 3.796 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3c[nH]nc3-c3ccc(F)cc3)c2)n1 ZINC000766865854 871959619 /nfs/dbraw/zinc/95/96/19/871959619.db2.gz MYZIJESRDYUBEM-UHFFFAOYSA-N -1 3 390.374 3.906 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2F)c(C)c1C ZINC001194842947 872010281 /nfs/dbraw/zinc/01/02/81/872010281.db2.gz FNIATBOZHVUNFX-UHFFFAOYSA-N -1 3 392.374 3.974 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2C1 ZINC000775618139 872010964 /nfs/dbraw/zinc/01/09/64/872010964.db2.gz UNURLRLCMFYTAQ-KRWDZBQOSA-N -1 3 391.468 3.560 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2C1 ZINC000775618139 872010972 /nfs/dbraw/zinc/01/09/72/872010972.db2.gz UNURLRLCMFYTAQ-KRWDZBQOSA-N -1 3 391.468 3.560 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cnc3cc(Cl)ccc3c2)cc1F ZINC001194960537 872055111 /nfs/dbraw/zinc/05/51/11/872055111.db2.gz OUVHKDMLDDHYGW-UHFFFAOYSA-N -1 3 393.827 3.651 20 0 GHADHM CC1(C)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2cc(Br)ccc21 ZINC000618857004 872057952 /nfs/dbraw/zinc/05/79/52/872057952.db2.gz LZADETQDICRWCV-UHFFFAOYSA-N -1 3 388.265 3.760 20 0 GHADHM CCS(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000182235163 872062249 /nfs/dbraw/zinc/06/22/49/872062249.db2.gz AVBYRLYDDFGAPG-WOJGMQOQSA-N -1 3 382.279 3.567 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3cc(F)ccc3c2)cc1F ZINC001194981370 872082863 /nfs/dbraw/zinc/08/28/63/872082863.db2.gz HQFNIBRAXOUIER-UHFFFAOYSA-N -1 3 376.384 3.742 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(-c3cccnc3)cc2)cc1F ZINC001194981760 872084614 /nfs/dbraw/zinc/08/46/14/872084614.db2.gz NTHRALYDMWEXRO-UHFFFAOYSA-N -1 3 385.420 3.512 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)[n-]1 ZINC000618920316 872158133 /nfs/dbraw/zinc/15/81/33/872158133.db2.gz UCEKADAEPJITPL-UHFFFAOYSA-N -1 3 392.626 3.564 20 0 GHADHM CCOC(=O)c1nc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c[n-]1 ZINC000618920316 872158142 /nfs/dbraw/zinc/15/81/42/872158142.db2.gz UCEKADAEPJITPL-UHFFFAOYSA-N -1 3 392.626 3.564 20 0 GHADHM COc1cc(Br)cc(F)c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195081292 872161314 /nfs/dbraw/zinc/16/13/14/872161314.db2.gz POACGXDCJVMRTF-UHFFFAOYSA-N -1 3 384.343 3.677 20 0 GHADHM CC[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC001127680005 872166963 /nfs/dbraw/zinc/16/69/63/872166963.db2.gz KTMTWGDMHFCSHX-QGZVFWFLSA-N -1 3 379.453 3.821 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1C[C@@H](O)Cc2ccccc21 ZINC000447724548 872215470 /nfs/dbraw/zinc/21/54/70/872215470.db2.gz WSFHAZVOCJBENZ-SFHVURJKSA-N -1 3 375.424 3.535 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447777818 872265619 /nfs/dbraw/zinc/26/56/19/872265619.db2.gz HEVIUXWUOMWLJT-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1F ZINC000447781412 872289617 /nfs/dbraw/zinc/28/96/17/872289617.db2.gz CAQYMOWKHMHTBT-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCSc1ccccc1Cl)NC(=O)OC(C)(C)C ZINC000767176114 872300727 /nfs/dbraw/zinc/30/07/27/872300727.db2.gz FVJCUWZVNXRZQY-LBPRGKRZSA-N -1 3 388.917 3.783 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463679710 872320665 /nfs/dbraw/zinc/32/06/65/872320665.db2.gz OXOFOCUOVPWBLS-LBPRGKRZSA-N -1 3 398.887 3.942 20 0 GHADHM C[C@@H](CO[N-]C(=O)CCSc1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC000767180008 872326323 /nfs/dbraw/zinc/32/63/23/872326323.db2.gz VUGITBXCQIUCNH-LBPRGKRZSA-N -1 3 388.917 3.783 20 0 GHADHM CCc1nc(C(=O)Nc2cccc(C(C)=O)c2[O-])nn1-c1ccccc1Cl ZINC000552286938 872351242 /nfs/dbraw/zinc/35/12/42/872351242.db2.gz ABJMOSBPHFINQM-UHFFFAOYSA-N -1 3 384.823 3.644 20 0 GHADHM CC(C)c1c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(Cl)cc1 ZINC000526960034 872364303 /nfs/dbraw/zinc/36/43/03/872364303.db2.gz DKENIWSEMAICMT-KRWDZBQOSA-N -1 3 399.882 3.898 20 0 GHADHM COc1cc(Cl)ccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000122452431 882608128 /nfs/dbraw/zinc/60/81/28/882608128.db2.gz QWVWKEGVQIPNHL-UHFFFAOYSA-N -1 3 399.672 3.816 20 0 GHADHM O=S(=O)([N-]C1CC(Cl)(Cl)C1)c1ccc(Br)cc1Cl ZINC001195455568 872398751 /nfs/dbraw/zinc/39/87/51/872398751.db2.gz PHEPLPAOAZNDAP-UHFFFAOYSA-N -1 3 393.517 3.717 20 0 GHADHM CCOC([O-])=NC(=S)Nc1c(C)cnn1Cc1ccccc1C(F)(F)F ZINC001195458691 872402522 /nfs/dbraw/zinc/40/25/22/872402522.db2.gz ZKNBYMQVAOWSQI-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1c(C)cnn1Cc1ccccc1C(F)(F)F ZINC001195458691 872402530 /nfs/dbraw/zinc/40/25/30/872402530.db2.gz ZKNBYMQVAOWSQI-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM COCc1ncc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)s1 ZINC000552326997 872447837 /nfs/dbraw/zinc/44/78/37/872447837.db2.gz LZWHANZQUDBMNW-UHFFFAOYSA-N -1 3 383.260 3.661 20 0 GHADHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000527008054 872458807 /nfs/dbraw/zinc/45/88/07/872458807.db2.gz SXJLAXIPFBMORP-UHFFFAOYSA-N -1 3 396.516 3.726 20 0 GHADHM COc1cc(OC2CC2)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000478116892 872529585 /nfs/dbraw/zinc/52/95/85/872529585.db2.gz AINWJDFAMUTHRO-UHFFFAOYSA-N -1 3 391.427 3.547 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CCc1cccs1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000767511027 872582501 /nfs/dbraw/zinc/58/25/01/872582501.db2.gz LUXZNMUBVDVRPF-LLVKDONJSA-N -1 3 397.909 3.675 20 0 GHADHM COC(=O)c1cc(OC(F)(F)F)cc(Cl)c1[N-]C(=O)c1nc(C)co1 ZINC001195759963 872618650 /nfs/dbraw/zinc/61/86/50/872618650.db2.gz OXOPAVLAGHFFJS-UHFFFAOYSA-N -1 3 378.690 3.574 20 0 GHADHM COc1ccc(-n2c(NC(=O)c3cccc4n[n-]nc43)nc3ccccc32)cc1 ZINC000527107089 872672153 /nfs/dbraw/zinc/67/21/53/872672153.db2.gz KYLBXDHIIGAHES-UHFFFAOYSA-N -1 3 384.399 3.558 20 0 GHADHM Cc1sc(CNC(=O)c2cccc3n[n-]nc32)nc1-c1ccc(Cl)cc1 ZINC000527108758 872673187 /nfs/dbraw/zinc/67/31/87/872673187.db2.gz JHSULKVVXJUGRC-UHFFFAOYSA-N -1 3 383.864 3.973 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)ccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195805251 872675014 /nfs/dbraw/zinc/67/50/14/872675014.db2.gz CLDXAMKVNDPFOL-UHFFFAOYSA-N -1 3 378.450 3.848 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)ccc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195805251 872675018 /nfs/dbraw/zinc/67/50/18/872675018.db2.gz CLDXAMKVNDPFOL-UHFFFAOYSA-N -1 3 378.450 3.848 20 0 GHADHM C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001195820512 872693929 /nfs/dbraw/zinc/69/39/29/872693929.db2.gz HLFGPDQLKPMDSR-ZDUSSCGKSA-N -1 3 392.477 3.779 20 0 GHADHM O=S(=O)(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195829449 872698864 /nfs/dbraw/zinc/69/88/64/872698864.db2.gz MUAWWWQYPKCLRN-UHFFFAOYSA-N -1 3 381.444 3.861 20 0 GHADHM Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Sc2ccccc2)n1 ZINC000527208090 872808936 /nfs/dbraw/zinc/80/89/36/872808936.db2.gz LHWZELSLIJKGCK-QGZVFWFLSA-N -1 3 380.473 3.790 20 0 GHADHM COC(=O)c1ccc(COc2ccc(C=Cc3nccc(=O)[n-]3)cc2OC)cc1 ZINC000742221279 872838537 /nfs/dbraw/zinc/83/85/37/872838537.db2.gz HMLIHTQIMVXPAN-UXBLZVDNSA-N -1 3 392.411 3.727 20 0 GHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000463919067 872856709 /nfs/dbraw/zinc/85/67/09/872856709.db2.gz GIHCUQIPQZTDHD-OLZOCXBDSA-N -1 3 381.473 3.509 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)sc1Cl ZINC000191896030 882660332 /nfs/dbraw/zinc/66/03/32/882660332.db2.gz DFVZBNLBLJPAHU-JTQLQIEISA-N -1 3 384.910 3.634 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1cccc(F)c1)c1ccc(Br)cn1 ZINC001196190884 872912876 /nfs/dbraw/zinc/91/28/76/872912876.db2.gz GURZZSVDVHYSPQ-OAHLLOKOSA-N -1 3 399.285 3.803 20 0 GHADHM CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(Cl)cc1F ZINC000182909041 872943963 /nfs/dbraw/zinc/94/39/63/872943963.db2.gz ILKSVHKDBCDEPQ-MRXNPFEDSA-N -1 3 379.819 3.526 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2nc(-c3ccccc3)ncc2Br)n1 ZINC001196249652 872970199 /nfs/dbraw/zinc/97/01/99/872970199.db2.gz XKQVOBTXXPLKDW-UHFFFAOYSA-N -1 3 385.221 3.567 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(Cl)cn1 ZINC001196266032 872979323 /nfs/dbraw/zinc/97/93/23/872979323.db2.gz INMYPHGZDZSWBK-KRWDZBQOSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC000152929772 872983463 /nfs/dbraw/zinc/98/34/63/872983463.db2.gz YZQMIWYRKKNNRR-UHFFFAOYSA-N -1 3 381.436 3.789 20 0 GHADHM O=C([N-]c1ncnc2[nH]cc(Br)c21)c1snc(Cl)c1Cl ZINC001196333364 873038677 /nfs/dbraw/zinc/03/86/77/873038677.db2.gz FIDYTGRMDKKARZ-UHFFFAOYSA-N -1 3 393.053 3.736 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1cccc(Br)n1 ZINC001196341550 873043399 /nfs/dbraw/zinc/04/33/99/873043399.db2.gz RKNBODAOTCVKFK-CQSZACIVSA-N -1 3 381.295 3.664 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(I)c2)Cc2ccccc21 ZINC001196402760 873077135 /nfs/dbraw/zinc/07/71/35/873077135.db2.gz RHDQYOVUCDITRA-NSHDSACASA-N -1 3 393.224 3.756 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(C(C)(C)C)s2)ccc1F ZINC000742807716 873078020 /nfs/dbraw/zinc/07/80/20/873078020.db2.gz LEAQEPPAWZEXLP-UHFFFAOYSA-N -1 3 399.513 3.519 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)[n-]1 ZINC000508354361 873173698 /nfs/dbraw/zinc/17/36/98/873173698.db2.gz JZPFNSQZOHODCS-UHFFFAOYSA-N -1 3 391.399 3.688 20 0 GHADHM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000527482982 873183213 /nfs/dbraw/zinc/18/32/13/873183213.db2.gz UZBGSFQOPQOKAF-HQRMLTQVSA-N -1 3 396.462 3.588 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](C(C)(C)C)C3)nc(=O)c2c1C ZINC000541389826 873462886 /nfs/dbraw/zinc/46/28/86/873462886.db2.gz MVDVAKRCQKXWOU-OLZOCXBDSA-N -1 3 391.537 3.899 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000768672613 873496074 /nfs/dbraw/zinc/49/60/74/873496074.db2.gz SZHKMTVGNWWYSE-SNVBAGLBSA-N -1 3 378.270 3.868 20 0 GHADHM CCc1cc(=O)[n-]c(CSCc2nc(-c3cc(F)c(F)c(F)c3)no2)n1 ZINC000134102748 882734345 /nfs/dbraw/zinc/73/43/45/882734345.db2.gz WPIYWYQPCBVFPZ-UHFFFAOYSA-N -1 3 382.367 3.645 20 0 GHADHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc2oc(C)nc2cc1Cl ZINC001197037789 873560542 /nfs/dbraw/zinc/56/05/42/873560542.db2.gz ZNYAYQSUNIKEIM-UHFFFAOYSA-N -1 3 394.836 3.685 20 0 GHADHM O=C([O-])c1ccc(NC(=S)N2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001197103530 873599228 /nfs/dbraw/zinc/59/92/28/873599228.db2.gz NLUGUKOZCOXVKO-UHFFFAOYSA-N -1 3 395.528 3.680 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc([O-])cc1OC ZINC001197170228 873636468 /nfs/dbraw/zinc/63/64/68/873636468.db2.gz IWYNSXMMJVNZHA-MOPGFXCFSA-N -1 3 383.444 3.700 20 0 GHADHM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768889038 873650096 /nfs/dbraw/zinc/65/00/96/873650096.db2.gz MYXDMIBMQPGJGZ-FPLPWBNLSA-N -1 3 383.853 3.778 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000541513267 873755444 /nfs/dbraw/zinc/75/54/44/873755444.db2.gz LLENKTUDWOMFPY-FQEVSTJZSA-N -1 3 376.460 3.664 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(OC(F)(F)F)c(F)c1 ZINC001197555990 873896775 /nfs/dbraw/zinc/89/67/75/873896775.db2.gz BSTVGZUJHRQVAE-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134181069 882772440 /nfs/dbraw/zinc/77/24/40/882772440.db2.gz BLRVSOQZRFBINY-UHFFFAOYSA-N -1 3 379.338 3.542 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197685338 873979693 /nfs/dbraw/zinc/97/96/93/873979693.db2.gz QYXMYAFTEBRVRD-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000494667390 882781588 /nfs/dbraw/zinc/78/15/88/882781588.db2.gz SRKZXCITDTZBRN-UHFFFAOYSA-N -1 3 379.331 3.576 20 0 GHADHM O=S(=O)(Cc1ccccn1)[N-]c1c(Cl)nc(Cl)cc1C(F)(F)F ZINC001197782462 874044227 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CC(C)(C)c1ccc(NC(=S)Nc2ncc(Br)[n-]c2=O)cc1 ZINC001198504299 874446261 /nfs/dbraw/zinc/44/62/61/874446261.db2.gz OYUZHWFKDGRZPD-UHFFFAOYSA-N -1 3 381.299 3.639 20 0 GHADHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528350446 874449224 /nfs/dbraw/zinc/44/92/24/874449224.db2.gz CEUPVYQYAXFNOZ-IRXDYDNUSA-N -1 3 376.250 3.805 20 0 GHADHM CC(C)n1cc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc2n1 ZINC000541889735 874468371 /nfs/dbraw/zinc/46/83/71/874468371.db2.gz IQFIQHLKZCNBEY-IBGZPJMESA-N -1 3 392.459 3.566 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)C1CCC1 ZINC001198723217 874581372 /nfs/dbraw/zinc/58/13/72/874581372.db2.gz VTHDWAGYTHUMES-INIZCTEOSA-N -1 3 384.860 3.702 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(-c2ccsc2)cc1 ZINC001198722957 874581512 /nfs/dbraw/zinc/58/15/12/874581512.db2.gz QXRSPJDBBYSFRS-UHFFFAOYSA-N -1 3 394.905 3.951 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001198720713 874581701 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CC(C)(CO)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000529189030 875766754 /nfs/dbraw/zinc/76/67/54/875766754.db2.gz IJCLUHVWFFGWAB-INIZCTEOSA-N -1 3 378.266 3.644 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCC(=O)c3cccs3)nc(=O)c2c1C ZINC000005665988 875798945 /nfs/dbraw/zinc/79/89/45/875798945.db2.gz JZUQKEHLMIGUQK-SNVBAGLBSA-N -1 3 390.486 3.930 20 0 GHADHM Cc1ccc(-c2cc(NC(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)n[nH]2)o1 ZINC000491557955 875799732 /nfs/dbraw/zinc/79/97/32/875799732.db2.gz PQQJNMOMUZODSQ-UHFFFAOYSA-N -1 3 390.403 3.515 20 0 GHADHM CC(C)c1cccc(F)c1[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201699398 875825736 /nfs/dbraw/zinc/82/57/36/875825736.db2.gz OIWQTBMMIYENER-ZDUSSCGKSA-N -1 3 386.489 3.700 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2Br)c(F)c1 ZINC001201780554 875877578 /nfs/dbraw/zinc/87/75/78/875877578.db2.gz CRXSZTXQHDZZDJ-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccn1)C1CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000921416496 882977349 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GHADHM CCOc1ccc(CN(C)C(=O)COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786139181 876467984 /nfs/dbraw/zinc/46/79/84/876467984.db2.gz YYZVVODDVYFQGS-UHFFFAOYSA-N -1 3 399.468 3.821 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784359659 876691895 /nfs/dbraw/zinc/69/18/95/876691895.db2.gz CVELXUBFWOGEHQ-UHFFFAOYSA-N -1 3 390.342 3.676 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)c2)n1 ZINC001129612570 883063231 /nfs/dbraw/zinc/06/32/31/883063231.db2.gz IFMPLNXDKWSUCH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)c2)n1 ZINC001129612570 883063249 /nfs/dbraw/zinc/06/32/49/883063249.db2.gz IFMPLNXDKWSUCH-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM COc1cc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)cc(OC)c1[O-] ZINC000529890986 876781420 /nfs/dbraw/zinc/78/14/20/876781420.db2.gz RWGSHJUNZKHCRB-UHFFFAOYSA-N -1 3 381.350 3.627 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc4c[nH]nc4c3)nc(=O)c2c1C ZINC000786558818 876792082 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AGHNOKMRHFWXAT-UHFFFAOYSA-N -1 3 390.465 3.651 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)c1c(C)noc1C ZINC000185524247 880608618 /nfs/dbraw/zinc/60/86/18/880608618.db2.gz VPHJQFOLXHCIDP-LBPRGKRZSA-N -1 3 391.262 3.623 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H](C)c1ccc(F)c2ccccc21 ZINC001183499289 912595448 /nfs/dbraw/zinc/59/54/48/912595448.db2.gz CBLAJZDELUQDJT-NSHDSACASA-N -1 3 398.390 3.622 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)c2c1 ZINC000747048827 880759830 /nfs/dbraw/zinc/75/98/30/880759830.db2.gz VFUYMNZUPGGENP-UHFFFAOYSA-N -1 3 394.452 3.596 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792117602 880910448 /nfs/dbraw/zinc/91/04/48/880910448.db2.gz UGAWSYOPSVSLIU-HNNXBMFYSA-N -1 3 384.476 3.922 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792116995 880911021 /nfs/dbraw/zinc/91/10/21/880911021.db2.gz OJKBDVMTGJBOCO-UHFFFAOYSA-N -1 3 384.476 3.922 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792081527 880915102 /nfs/dbraw/zinc/91/51/02/880915102.db2.gz CXJCLCUBQGYMOL-HNNXBMFYSA-N -1 3 384.476 3.922 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000532018418 880933904 /nfs/dbraw/zinc/93/39/04/880933904.db2.gz IVMPXBKDMSHMKH-UHFFFAOYSA-N -1 3 379.203 3.541 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000792229915 880991623 /nfs/dbraw/zinc/99/16/23/880991623.db2.gz BQVNLCYLONMSKN-FPOVZHCZSA-N -1 3 377.440 3.510 20 0 GHADHM CCc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186837635 881000483 /nfs/dbraw/zinc/00/04/83/881000483.db2.gz SXMHRJBQDYVRMV-HNNXBMFYSA-N -1 3 397.500 3.748 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnn(-c4cccnc4)c3)nc(=O)c2c1C ZINC000792211967 881005550 /nfs/dbraw/zinc/00/55/50/881005550.db2.gz BKMZZWPBLOXGAN-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c[nH]nc3C3CC3)cc2)cc1 ZINC000187004791 881046751 /nfs/dbraw/zinc/04/67/51/881046751.db2.gz YPQVWCRYSIKTKL-UHFFFAOYSA-N -1 3 396.472 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cn[nH]c3C3CC3)cc2)cc1 ZINC000187004791 881046765 /nfs/dbraw/zinc/04/67/65/881046765.db2.gz YPQVWCRYSIKTKL-UHFFFAOYSA-N -1 3 396.472 3.649 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc1[O-] ZINC000856313973 881107982 /nfs/dbraw/zinc/10/79/82/881107982.db2.gz AAKPZVDMUDEMDM-MOPGFXCFSA-N -1 3 375.852 3.736 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c1C ZINC000499112900 881136099 /nfs/dbraw/zinc/13/60/99/881136099.db2.gz CMFCEYALOGFGAP-UHFFFAOYSA-N -1 3 388.533 3.553 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N(Cc1cccc(F)c1)C1CC1 ZINC000640291681 881143557 /nfs/dbraw/zinc/14/35/57/881143557.db2.gz DEDRXFICIFAJGK-UHFFFAOYSA-N -1 3 390.768 3.856 20 0 GHADHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1nc(Br)cs1 ZINC000792528054 881157223 /nfs/dbraw/zinc/15/72/23/881157223.db2.gz VJZRBDJTYBAWLS-UHFFFAOYSA-N -1 3 389.296 3.959 20 0 GHADHM Cc1ccc(-c2nsc([N-]C(=O)c3cc(C)nc(C(F)(F)F)n3)n2)s1 ZINC000187472026 881205936 /nfs/dbraw/zinc/20/59/36/881205936.db2.gz XKHAOCZNDZWLJT-UHFFFAOYSA-N -1 3 385.396 3.945 20 0 GHADHM COc1ccc(-c2cc(C(=O)NCc3ncccc3[O-])c3ccccc3n2)cc1 ZINC000792611061 881332191 /nfs/dbraw/zinc/33/21/91/881332191.db2.gz FKLOMQRJJDXUBD-UHFFFAOYSA-N -1 3 385.423 3.941 20 0 GHADHM O=C([O-])[C@@]1(NCc2cc(Cl)c3c(c2)OCCCO3)CCc2c1cccc2F ZINC000551058014 883203462 /nfs/dbraw/zinc/20/34/62/883203462.db2.gz UGTONEHXXAGKSP-HXUWFJFHSA-N -1 3 391.826 3.656 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nc(C2(c3ccc(F)cc3)CCCCC2)no1 ZINC000551062538 883211690 /nfs/dbraw/zinc/21/16/90/883211690.db2.gz VCFJQCVEZLXLPC-UHFFFAOYSA-N -1 3 395.500 3.678 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCC(C)(C)CC2)ccc1F ZINC001129911653 883304569 /nfs/dbraw/zinc/30/45/69/883304569.db2.gz PBHXKXZDFULCTJ-UHFFFAOYSA-N -1 3 398.544 3.849 20 0 GHADHM Cc1cccc2c1C[C@H](c1nc(-c3cc(=O)[n-]cn3)no1)N2C(=O)OC(C)(C)C ZINC000858793786 883359013 /nfs/dbraw/zinc/35/90/13/883359013.db2.gz OXVVNYZGBGLULP-OAHLLOKOSA-N -1 3 395.419 3.580 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)no1 ZINC000551169812 883378968 /nfs/dbraw/zinc/37/89/68/883378968.db2.gz UTINXGYRFOBMSZ-UHFFFAOYSA-N -1 3 399.925 3.855 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000135505046 883420643 /nfs/dbraw/zinc/42/06/43/883420643.db2.gz WSACAQHRAOIPIJ-UHFFFAOYSA-N -1 3 379.388 3.894 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000494770876 883427508 /nfs/dbraw/zinc/42/75/08/883427508.db2.gz QEQQORSCPUYMOK-GFCCVEGCSA-N -1 3 377.824 3.722 20 0 GHADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1sccc1Br ZINC000476981376 883497563 /nfs/dbraw/zinc/49/75/63/883497563.db2.gz PGGXICULAQYUNU-LBPRGKRZSA-N -1 3 388.308 3.539 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000859003001 883530523 /nfs/dbraw/zinc/53/05/23/883530523.db2.gz KQLWIMVIIYAQDP-IAGOWNOFSA-N -1 3 388.508 3.952 20 0 GHADHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805056651 883565317 /nfs/dbraw/zinc/56/53/17/883565317.db2.gz FFZGSIHTOMKXAJ-XPTSAGLGSA-N -1 3 393.267 3.582 20 0 GHADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000186538453 883661431 /nfs/dbraw/zinc/66/14/31/883661431.db2.gz ZRFMJIOCEHCBAU-MLGOLLRUSA-N -1 3 390.281 3.842 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F ZINC000029736667 883661529 /nfs/dbraw/zinc/66/15/29/883661529.db2.gz KFDHHIYEGITJIS-UHFFFAOYSA-N -1 3 384.860 3.808 20 0 GHADHM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CCN1Cc1ccccc1 ZINC001183694905 912735876 /nfs/dbraw/zinc/73/58/76/912735876.db2.gz SIXPXUJQHQRJEE-HNNXBMFYSA-N -1 3 395.890 3.940 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)CC1 ZINC000805255809 883721081 /nfs/dbraw/zinc/72/10/81/883721081.db2.gz YXKFWOKKAJPLQH-UHFFFAOYSA-N -1 3 391.874 3.967 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(Br)ccc1Cl ZINC000477133211 883758963 /nfs/dbraw/zinc/75/89/63/883758963.db2.gz DBKUEWAOWHQFKN-UHOFOFEASA-N -1 3 398.709 3.719 20 0 GHADHM CSCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000609873259 883759870 /nfs/dbraw/zinc/75/98/70/883759870.db2.gz SIKKBYZKVWEQGO-UHFFFAOYSA-N -1 3 378.519 3.878 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C[C@H](c2cccs2)n2cccc2)[n-]n1 ZINC001183733405 912762900 /nfs/dbraw/zinc/76/29/00/912762900.db2.gz LSJZYOULFWRNFX-CQSZACIVSA-N -1 3 386.477 3.846 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)C[C@H](c2cccs2)n2cccc2)n[n-]1 ZINC001183733405 912762911 /nfs/dbraw/zinc/76/29/11/912762911.db2.gz LSJZYOULFWRNFX-CQSZACIVSA-N -1 3 386.477 3.846 20 0 GHADHM C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1=O ZINC000476125333 883995880 /nfs/dbraw/zinc/99/58/80/883995880.db2.gz AFHRDBYYYJMMCB-OCCSQVGLSA-N -1 3 392.377 3.959 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1F ZINC000029753382 884001693 /nfs/dbraw/zinc/00/16/93/884001693.db2.gz FJXHNOBFWQUFOS-UHFFFAOYSA-N -1 3 384.517 3.745 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCC(F)CC1 ZINC000649149526 884115254 /nfs/dbraw/zinc/11/52/54/884115254.db2.gz QEEXDEPTOUNKOM-IOYBJCICSA-N -1 3 398.478 3.898 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c([O-])c1 ZINC000190939256 884133353 /nfs/dbraw/zinc/13/33/53/884133353.db2.gz OVFYPADCFBBMNA-HNNXBMFYSA-N -1 3 384.480 3.586 20 0 GHADHM COc1ccc(-c2cncc(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)c2)c(C)c1 ZINC000860281166 884521224 /nfs/dbraw/zinc/52/12/24/884521224.db2.gz KVUZSUNCNTWCRS-UHFFFAOYSA-N -1 3 391.427 3.796 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1F ZINC000914713775 884590200 /nfs/dbraw/zinc/59/02/00/884590200.db2.gz RQMJLEWGZAKHIC-LBPRGKRZSA-N -1 3 398.887 3.657 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3cc4c(C)nn(C)c4s3)n2)cc1 ZINC000103035142 884710478 /nfs/dbraw/zinc/71/04/78/884710478.db2.gz NMBVZEPZVQOUDK-UHFFFAOYSA-N -1 3 385.474 3.723 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)OC)c2)c1 ZINC000475837034 884849774 /nfs/dbraw/zinc/84/97/74/884849774.db2.gz VBGQUVXVRRCAKL-UHFFFAOYSA-N -1 3 387.866 3.582 20 0 GHADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263537221 885108404 /nfs/dbraw/zinc/10/84/04/885108404.db2.gz ZZDOBJZYTLXWBZ-CYBMUJFWSA-N -1 3 394.313 3.911 20 0 GHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000914891746 885119228 /nfs/dbraw/zinc/11/92/28/885119228.db2.gz SAGZDYYKIAMHTC-GFCCVEGCSA-N -1 3 397.456 3.540 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000498640582 885146839 /nfs/dbraw/zinc/14/68/39/885146839.db2.gz ZCGOXWVEYRXWND-CYBMUJFWSA-N -1 3 386.373 3.650 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000807023305 885190061 /nfs/dbraw/zinc/19/00/61/885190061.db2.gz IPHNJYYZEOUXKN-UHFFFAOYSA-N -1 3 386.373 3.965 20 0 GHADHM CCOc1cc(/C=C2/NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000213298153 885227500 /nfs/dbraw/zinc/22/75/00/885227500.db2.gz YTWIIFLBUOOTBJ-MDWZMJQESA-N -1 3 392.839 3.846 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000669626823 885252013 /nfs/dbraw/zinc/25/20/13/885252013.db2.gz HYGFECAQULZMHL-GOSISDBHSA-N -1 3 396.462 3.805 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(-c4ccoc4)[nH]n3)nc(=O)c2c1C ZINC000919325351 885335059 /nfs/dbraw/zinc/33/50/59/885335059.db2.gz MENUPWVUEUVHEO-VIFPVBQESA-N -1 3 384.417 3.915 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919326767 885338164 /nfs/dbraw/zinc/33/81/64/885338164.db2.gz DCENKERYZMRKSP-CABCVRRESA-N -1 3 395.459 3.963 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919326767 885338180 /nfs/dbraw/zinc/33/81/80/885338180.db2.gz DCENKERYZMRKSP-CABCVRRESA-N -1 3 395.459 3.963 20 0 GHADHM C[C@H](CC(=O)Nc1cc(I)ccc1[O-])c1ccncc1 ZINC000610879265 885390862 /nfs/dbraw/zinc/39/08/62/885390862.db2.gz YPCMAMXXTZMESH-SNVBAGLBSA-N -1 3 382.201 3.524 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1[O-] ZINC000666900496 885428423 /nfs/dbraw/zinc/42/84/23/885428423.db2.gz FQUQCNMUMSPCHT-IBGZPJMESA-N -1 3 377.444 3.849 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCc1ncccc1[O-] ZINC000807449349 885449797 /nfs/dbraw/zinc/44/97/97/885449797.db2.gz PMSIVRLCEKSTBO-GOSISDBHSA-N -1 3 399.491 3.696 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053543838 885506704 /nfs/dbraw/zinc/50/67/04/885506704.db2.gz BETBGCMLXTTXGM-ROUUACIJSA-N -1 3 396.487 3.728 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)no1 ZINC000108251168 885618822 /nfs/dbraw/zinc/61/88/22/885618822.db2.gz VIPSYCWOCPRESD-UHFFFAOYSA-N -1 3 393.852 3.720 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1c(F)cccc1F)C1CCCC1 ZINC000118332432 885623998 /nfs/dbraw/zinc/62/39/98/885623998.db2.gz WOMRMNQIBZMZOQ-UHFFFAOYSA-N -1 3 383.398 3.786 20 0 GHADHM Cc1cc(C)cc([C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000170950966 885636970 /nfs/dbraw/zinc/63/69/70/885636970.db2.gz UVRXKNMOIDKQGL-MRXNPFEDSA-N -1 3 390.487 3.567 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1ccc(Br)cc1F ZINC000476411018 885659977 /nfs/dbraw/zinc/65/99/77/885659977.db2.gz CGXRAJBQLREHOL-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM C[C@H](NCc1ccc(Br)c(F)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001184003236 912964548 /nfs/dbraw/zinc/96/45/48/912964548.db2.gz YRMOOTBCBLCENV-YFKPBYRVSA-N -1 3 385.134 3.715 20 0 GHADHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(Br)c3)cc2)CCO1 ZINC000861766312 885838932 /nfs/dbraw/zinc/83/89/32/885838932.db2.gz NRSHGHYPKJJKLK-GFCCVEGCSA-N -1 3 391.265 3.632 20 0 GHADHM CC(C)OCCO[N-]C(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000861794558 885867335 /nfs/dbraw/zinc/86/73/35/885867335.db2.gz UXOJPEHWLIIGJX-UHFFFAOYSA-N -1 3 388.155 3.693 20 0 GHADHM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000915198904 885997972 /nfs/dbraw/zinc/99/79/72/885997972.db2.gz VJUXBYRUWUHVBS-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000762313705 886001183 /nfs/dbraw/zinc/00/11/83/886001183.db2.gz UUJONOGDWCZSFO-KRWDZBQOSA-N -1 3 390.411 3.744 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000805303315 886046330 /nfs/dbraw/zinc/04/63/30/886046330.db2.gz LTFPPRRUDUVCHA-INIZCTEOSA-N -1 3 376.497 3.864 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000055641705 886127136 /nfs/dbraw/zinc/12/71/36/886127136.db2.gz QSLDIUCADXMBSO-HNAYVOBHSA-N -1 3 382.460 3.813 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)[C@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000532571944 886140253 /nfs/dbraw/zinc/14/02/53/886140253.db2.gz QOOLATHVIFYGDA-CQSZACIVSA-N -1 3 399.516 3.889 20 0 GHADHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000609219388 886296414 /nfs/dbraw/zinc/29/64/14/886296414.db2.gz UIQSGXCPTVXURC-UHFFFAOYSA-N -1 3 375.490 3.792 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000808355302 886297915 /nfs/dbraw/zinc/29/79/15/886297915.db2.gz WLOXEZXABDVROU-CYBMUJFWSA-N -1 3 395.695 3.708 20 0 GHADHM COC1(c2ccccc2)CN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000556859662 886391420 /nfs/dbraw/zinc/39/14/20/886391420.db2.gz VTZMDSGPKNTYTA-UHFFFAOYSA-N -1 3 390.443 3.547 20 0 GHADHM CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057289339 886596608 /nfs/dbraw/zinc/59/66/08/886596608.db2.gz VFZXOEKVXASWNX-CQSZACIVSA-N -1 3 378.881 3.536 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000433470864 886643537 /nfs/dbraw/zinc/64/35/37/886643537.db2.gz OWZYTMWKJBYPTL-WCQYABFASA-N -1 3 390.299 3.793 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C(=O)Nc3ccccc3F)C(C)C)n[n-]c21 ZINC000808672788 886670952 /nfs/dbraw/zinc/67/09/52/886670952.db2.gz FXJPLLBGOKIILZ-GOSISDBHSA-N -1 3 385.395 3.531 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C(=O)Nc3ccccc3F)C(C)C)[n-]nc21 ZINC000808672788 886670959 /nfs/dbraw/zinc/67/09/59/886670959.db2.gz FXJPLLBGOKIILZ-GOSISDBHSA-N -1 3 385.395 3.531 20 0 GHADHM COc1ccc(-c2cc(COC(=O)c3n[n-]c4c3cccc4OC)on2)cc1 ZINC000808676251 886673239 /nfs/dbraw/zinc/67/32/39/886673239.db2.gz JBONFXGYANBJNS-UHFFFAOYSA-N -1 3 379.372 3.592 20 0 GHADHM COc1ccc(-c2cc(COC(=O)c3[n-]nc4c3cccc4OC)on2)cc1 ZINC000808676251 886673249 /nfs/dbraw/zinc/67/32/49/886673249.db2.gz JBONFXGYANBJNS-UHFFFAOYSA-N -1 3 379.372 3.592 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)n[n-]c21 ZINC000808677217 886676670 /nfs/dbraw/zinc/67/66/70/886676670.db2.gz ZVKTVOOVHRKJDG-LBPRGKRZSA-N -1 3 378.388 3.848 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000808677217 886676679 /nfs/dbraw/zinc/67/66/79/886676679.db2.gz ZVKTVOOVHRKJDG-LBPRGKRZSA-N -1 3 378.388 3.848 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(OCc4ccncc4)cc3)n[n-]c21 ZINC000808677031 886676874 /nfs/dbraw/zinc/67/68/74/886676874.db2.gz WEVIGAGMMURXFA-UHFFFAOYSA-N -1 3 389.411 3.903 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(OCc4ccncc4)cc3)[n-]nc21 ZINC000808677031 886676887 /nfs/dbraw/zinc/67/68/87/886676887.db2.gz WEVIGAGMMURXFA-UHFFFAOYSA-N -1 3 389.411 3.903 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCc3cc(-c4ccccc4)ccc32)c(=O)[n-]1 ZINC000119425414 886678595 /nfs/dbraw/zinc/67/85/95/886678595.db2.gz JKOPQJYGHRTBEQ-UHFFFAOYSA-N -1 3 387.483 3.966 20 0 GHADHM O=C(C=Cc1ccccc1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131498180 886901288 /nfs/dbraw/zinc/90/12/88/886901288.db2.gz SNIDINBCQYNVFN-WDZFZDKYSA-N -1 3 387.848 3.548 20 0 GHADHM O=C(C=Cc1ccccc1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131498180 886901299 /nfs/dbraw/zinc/90/12/99/886901299.db2.gz SNIDINBCQYNVFN-WDZFZDKYSA-N -1 3 387.848 3.548 20 0 GHADHM CCN(CC(=O)Nc1ccccc1OC)Cc1cccc([O-])c1Br ZINC000459279335 886983192 /nfs/dbraw/zinc/98/31/92/886983192.db2.gz LSAGRAYOHFRXTE-UHFFFAOYSA-N -1 3 393.281 3.624 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc4c(c3)[C@@H](C)CC(=O)N4C)cc(=O)oc12 ZINC000863390965 887081162 /nfs/dbraw/zinc/08/11/62/887081162.db2.gz NRJDXTGDWDGVCK-LBPRGKRZSA-N -1 3 378.428 3.889 20 0 GHADHM COC[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1ccc(C)o1 ZINC001126727308 887120100 /nfs/dbraw/zinc/12/01/00/887120100.db2.gz CSTHRQMEYFUQJL-ZDUSSCGKSA-N -1 3 388.208 3.946 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000459304770 887220025 /nfs/dbraw/zinc/22/00/25/887220025.db2.gz HALBUVATEUSBBX-UHFFFAOYSA-N -1 3 392.858 3.541 20 0 GHADHM O=c1cc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)nc(C2CC2)[n-]1 ZINC000459349607 887548157 /nfs/dbraw/zinc/54/81/57/887548157.db2.gz FIAVIKYNPWJHJE-MRXNPFEDSA-N -1 3 379.382 3.652 20 0 GHADHM COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459363662 887706251 /nfs/dbraw/zinc/70/62/51/887706251.db2.gz IIFFNJZXTDVUGU-INIZCTEOSA-N -1 3 396.274 3.713 20 0 GHADHM CCCCNC(=O)c1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459367274 887744972 /nfs/dbraw/zinc/74/49/72/887744972.db2.gz DHWXFOBAWKETRQ-UHFFFAOYSA-N -1 3 391.309 3.974 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 ZINC000055139128 888092791 /nfs/dbraw/zinc/09/27/91/888092791.db2.gz JGUWACNDBWGRHC-UHFFFAOYSA-N -1 3 395.484 3.755 20 0 GHADHM CCc1cccc(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC001137053162 888293856 /nfs/dbraw/zinc/29/38/56/888293856.db2.gz AEWSWCQLLRMMGC-QGZVFWFLSA-N -1 3 378.513 3.966 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000763212874 888305920 /nfs/dbraw/zinc/30/59/20/888305920.db2.gz ZVKWOWPRUKRILC-NSHDSACASA-N -1 3 381.885 3.721 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000015645370 888351319 /nfs/dbraw/zinc/35/13/19/888351319.db2.gz JLEIVGFRAUTMDP-NSHDSACASA-N -1 3 378.222 3.647 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000810443714 888523655 /nfs/dbraw/zinc/52/36/55/888523655.db2.gz ULETVVPPNMWTLM-LRDDRELGSA-N -1 3 382.888 3.859 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000810495020 888539525 /nfs/dbraw/zinc/53/95/25/888539525.db2.gz DVHISHBXMZYEBJ-GFCCVEGCSA-N -1 3 392.858 3.637 20 0 GHADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810480826 888555136 /nfs/dbraw/zinc/55/51/36/888555136.db2.gz JLTLIKHPADOOLF-UHFFFAOYSA-N -1 3 382.888 3.954 20 0 GHADHM CCc1cc2c(CN(C)Cc3nc(-c4cccs4)no3)cc(=O)oc2cc1[O-] ZINC000796099698 913273071 /nfs/dbraw/zinc/27/30/71/913273071.db2.gz NFXWVYFWYJCXTO-UHFFFAOYSA-N -1 3 397.456 3.805 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3nc(-c4cccs4)no3)cc(=O)oc12 ZINC000796098974 913273961 /nfs/dbraw/zinc/27/39/61/913273961.db2.gz IEAJHLDHXCERST-UHFFFAOYSA-N -1 3 383.429 3.551 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000454310983 888821764 /nfs/dbraw/zinc/82/17/64/888821764.db2.gz BZSWGFQRSBDVTM-QGZVFWFLSA-N -1 3 383.835 3.983 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H](c2cccc(OC(C)C)c2)C(F)F)c(=O)[n-]1 ZINC000810804900 888882061 /nfs/dbraw/zinc/88/20/61/888882061.db2.gz LVPBPATUGLZUCX-KRWDZBQOSA-N -1 3 380.391 3.678 20 0 GHADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NCCc1ccccc1 ZINC000810825587 888912213 /nfs/dbraw/zinc/91/22/13/888912213.db2.gz FCWNTVUCFFUXRA-NSHDSACASA-N -1 3 376.865 3.787 20 0 GHADHM Cc1cccc([C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)c2cccc(F)c2)c1 ZINC000866628663 888981364 /nfs/dbraw/zinc/98/13/64/888981364.db2.gz LRANMLAWAFJXKR-OAQYLSRUSA-N -1 3 379.435 3.582 20 0 GHADHM O=c1[n-]c(CN[C@H]2CCCc3cc(SC(F)F)ccc32)nc2c1COCC2 ZINC000866630168 888984065 /nfs/dbraw/zinc/98/40/65/888984065.db2.gz XYVGKIMMFWFGCH-HNNXBMFYSA-N -1 3 393.459 3.737 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000532791577 888992410 /nfs/dbraw/zinc/99/24/10/888992410.db2.gz DSFCFQMGVOOYHX-FQEVSTJZSA-N -1 3 380.488 3.526 20 0 GHADHM C[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000810897784 889006273 /nfs/dbraw/zinc/00/62/73/889006273.db2.gz AYYDXWSAKYJEHE-LSDHHAIUSA-N -1 3 392.421 3.860 20 0 GHADHM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810904752 889011945 /nfs/dbraw/zinc/01/19/45/889011945.db2.gz HWDAEPURVABTSV-YCABEKBOSA-N -1 3 396.453 3.914 20 0 GHADHM C[C@@]1(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000866736663 889019446 /nfs/dbraw/zinc/01/94/46/889019446.db2.gz ZQBJOADJAJZVLD-OCCSQVGLSA-N -1 3 391.345 3.736 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3Cl)C[C@H]21 ZINC000811026667 889110542 /nfs/dbraw/zinc/11/05/42/889110542.db2.gz INLWPZRFGJXJOE-XGWLTEMNSA-N -1 3 394.899 3.811 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@@H](C2CC2)C1 ZINC000644517986 913330732 /nfs/dbraw/zinc/33/07/32/913330732.db2.gz IPBQRNCHKFBYLD-GFCCVEGCSA-N -1 3 375.266 3.553 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccccn3)n2Cc2ccco2)n1 ZINC000123746285 889384852 /nfs/dbraw/zinc/38/48/52/889384852.db2.gz MDDLSWJJTXHPRV-CYBMUJFWSA-N -1 3 394.460 3.639 20 0 GHADHM CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000123796612 889402396 /nfs/dbraw/zinc/40/23/96/889402396.db2.gz MJYWOLLATZPEHO-AWEZNQCLSA-N -1 3 385.493 3.843 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)sc1Br ZINC000123910761 889443841 /nfs/dbraw/zinc/44/38/41/889443841.db2.gz DSWKJXAVZFXTJN-SECBINFHSA-N -1 3 380.354 3.790 20 0 GHADHM COC(=O)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(Br)c1 ZINC000811341820 889464229 /nfs/dbraw/zinc/46/42/29/889464229.db2.gz DZNOEUFFWQJLPR-UHFFFAOYSA-N -1 3 398.640 3.525 20 0 GHADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1c[n-]c2ccccc2c1=O ZINC000123980815 889469674 /nfs/dbraw/zinc/46/96/74/889469674.db2.gz IXOFYKCCKGKYEN-SFHVURJKSA-N -1 3 384.382 3.937 20 0 GHADHM O=C(COC(=O)C1(Cc2cccs2)CCCCC1)[N-]C(=O)c1cccs1 ZINC000811397913 889538990 /nfs/dbraw/zinc/53/89/90/889538990.db2.gz BLFUUEGFPMKFOC-UHFFFAOYSA-N -1 3 391.514 3.802 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCO2)cc1 ZINC000063305012 889564787 /nfs/dbraw/zinc/56/47/87/889564787.db2.gz IPZYBWXWCDINPF-KRWDZBQOSA-N -1 3 388.489 3.612 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000811494780 889646165 /nfs/dbraw/zinc/64/61/65/889646165.db2.gz VMDGOERJRLVLFG-CYBMUJFWSA-N -1 3 382.888 3.813 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(F)c(F)cc2N2CCCCC2)c2ccccc21 ZINC000811627603 889793623 /nfs/dbraw/zinc/79/36/23/889793623.db2.gz VMOKYFMIWDMYRU-QINSGFPZSA-N -1 3 383.398 3.678 20 0 GHADHM CCc1cc2c(CN3C[C@@H](C(F)(F)F)OC(C)(C)C3)cc(=O)oc2cc1[O-] ZINC000795059011 889796853 /nfs/dbraw/zinc/79/68/53/889796853.db2.gz BKWVXJAMWIBJKM-INIZCTEOSA-N -1 3 385.382 3.603 20 0 GHADHM C[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000263633428 889912941 /nfs/dbraw/zinc/91/29/41/889912941.db2.gz PSFAXWJIHUFHJC-GPLLRDDGSA-N -1 3 375.453 3.772 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000125264784 889930099 /nfs/dbraw/zinc/93/00/99/889930099.db2.gz WKQDPHDMXUBGBC-UHFFFAOYSA-N -1 3 395.369 3.797 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000125264784 889930104 /nfs/dbraw/zinc/93/01/04/889930104.db2.gz WKQDPHDMXUBGBC-UHFFFAOYSA-N -1 3 395.369 3.797 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000125445959 889998610 /nfs/dbraw/zinc/99/86/10/889998610.db2.gz RTLXUGNUSYFEPI-UHFFFAOYSA-N -1 3 387.170 3.793 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000125445959 889998619 /nfs/dbraw/zinc/99/86/19/889998619.db2.gz RTLXUGNUSYFEPI-UHFFFAOYSA-N -1 3 387.170 3.793 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000828009475 890060658 /nfs/dbraw/zinc/06/06/58/890060658.db2.gz YCHWCKYDDAWLTK-OAQYLSRUSA-N -1 3 392.496 3.501 20 0 GHADHM CCCCC1CCC(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812013292 890203170 /nfs/dbraw/zinc/20/31/70/890203170.db2.gz HSOPWHRJFYNDHE-HWOWSKLDSA-N -1 3 391.478 3.836 20 0 GHADHM CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126305633 890466601 /nfs/dbraw/zinc/46/66/01/890466601.db2.gz HFFLHYZGYZRLKX-UHFFFAOYSA-N -1 3 385.208 3.775 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000812274901 890492811 /nfs/dbraw/zinc/49/28/11/890492811.db2.gz LVPCVNKIZORYRI-YQQAZPJKSA-N -1 3 384.442 3.733 20 0 GHADHM O=C(NC1(c2ccc(F)cc2)CCC(F)(F)CC1)c1[n-]c(=O)ccc1Cl ZINC001184816755 913457589 /nfs/dbraw/zinc/45/75/89/913457589.db2.gz NMVRGGFDQKOFQE-UHFFFAOYSA-N -1 3 384.785 3.841 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1F ZINC000126424239 890526490 /nfs/dbraw/zinc/52/64/90/890526490.db2.gz GVWAAFJWNTVFDR-UHFFFAOYSA-N -1 3 380.372 3.738 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000812323834 890538313 /nfs/dbraw/zinc/53/83/13/890538313.db2.gz JUVUKZRWLUJMOJ-UHFFFAOYSA-N -1 3 384.280 3.563 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000812323769 890538428 /nfs/dbraw/zinc/53/84/28/890538428.db2.gz CCXLFCONCHGQBU-UHFFFAOYSA-N -1 3 377.210 3.891 20 0 GHADHM C[C@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(=O)C1CCCCC1 ZINC000126453274 890543704 /nfs/dbraw/zinc/54/37/04/890543704.db2.gz JFZMQOROWOLQGA-LLVKDONJSA-N -1 3 383.286 3.568 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1 ZINC000126454482 890543915 /nfs/dbraw/zinc/54/39/15/890543915.db2.gz MDOBDVLGIMHINT-VQIMIIECSA-N -1 3 385.512 3.885 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1 ZINC000126454482 890543921 /nfs/dbraw/zinc/54/39/21/890543921.db2.gz MDOBDVLGIMHINT-VQIMIIECSA-N -1 3 385.512 3.885 20 0 GHADHM O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(Br)ccc1[O-] ZINC000126606661 890612133 /nfs/dbraw/zinc/61/21/33/890612133.db2.gz SKIMXLJKYCLDQZ-UHFFFAOYSA-N -1 3 390.262 3.854 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1COc2ccccc21 ZINC000126628554 890620918 /nfs/dbraw/zinc/62/09/18/890620918.db2.gz AXCNFQJJVLHAMT-BXUZGUMPSA-N -1 3 391.265 3.519 20 0 GHADHM CC(C)(C)OC(=O)NCC1CC(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001184837988 913475282 /nfs/dbraw/zinc/47/52/82/913475282.db2.gz HRUNDHAIOBFFIT-UHFFFAOYSA-N -1 3 399.285 3.644 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H]2C[C@H](c3ccc(Br)cc3)C2)c2ccccc21 ZINC000812445441 890671172 /nfs/dbraw/zinc/67/11/72/890671172.db2.gz RDDJPJASIALBCY-LALNJWKFSA-N -1 3 397.272 3.596 20 0 GHADHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)[N-]OCCCC(F)(F)F ZINC000871210322 890695937 /nfs/dbraw/zinc/69/59/37/890695937.db2.gz DEEJXUAYAIGLEM-UHFFFAOYSA-N -1 3 377.750 3.713 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)c2ccc(CF)cc2)c2ccccc21)C(F)(F)F ZINC000871317900 890753710 /nfs/dbraw/zinc/75/37/10/890753710.db2.gz ULHUTQPBFIZXRB-OAHLLOKOSA-N -1 3 394.368 3.969 20 0 GHADHM COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000497318952 890800835 /nfs/dbraw/zinc/80/08/35/890800835.db2.gz MKLAVRFCYKMPOH-CQSZACIVSA-N -1 3 392.459 3.919 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC000812763481 890912575 /nfs/dbraw/zinc/91/25/75/890912575.db2.gz HTXUCVBTGAZJLX-HNNXBMFYSA-N -1 3 381.476 3.926 20 0 GHADHM CO[C@H]1C[C@@H](CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000871645857 890958088 /nfs/dbraw/zinc/95/80/88/890958088.db2.gz IMKWOQFECMBARP-GSJFWJNXSA-N -1 3 376.869 3.692 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)cs2)c(C)c1 ZINC000533675968 891084034 /nfs/dbraw/zinc/08/40/34/891084034.db2.gz OGSIQLDZMOJLKP-UHFFFAOYSA-N -1 3 375.457 3.886 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000127507287 891103842 /nfs/dbraw/zinc/10/38/42/891103842.db2.gz HUIHWDMWLQUJRO-UHFFFAOYSA-N -1 3 375.457 3.675 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000127507287 891103846 /nfs/dbraw/zinc/10/38/46/891103846.db2.gz HUIHWDMWLQUJRO-UHFFFAOYSA-N -1 3 375.457 3.675 20 0 GHADHM COc1ccccc1[C@H]1CSCCCN1CCOc1cccc(C(=O)[O-])c1 ZINC000872168385 891191774 /nfs/dbraw/zinc/19/17/74/891191774.db2.gz UNHDLFNIVBWLCU-LJQANCHMSA-N -1 3 387.501 3.952 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Br)s2)C[C@H]1c1ccc(F)cc1 ZINC000872323084 891238609 /nfs/dbraw/zinc/23/86/09/891238609.db2.gz ADQDAXVKRAIHFY-UONOGXRCSA-N -1 3 384.270 3.950 20 0 GHADHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(COCc2ccccc2)cc1 ZINC000872355337 891246111 /nfs/dbraw/zinc/24/61/11/891246111.db2.gz SXBGCRNINUBEKX-UHFFFAOYSA-N -1 3 396.534 3.568 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000825616193 891277688 /nfs/dbraw/zinc/27/76/88/891277688.db2.gz ZKUIPFHXALFYFP-UHFFFAOYSA-N -1 3 388.859 3.728 20 0 GHADHM CCOc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000825616193 891277704 /nfs/dbraw/zinc/27/77/04/891277704.db2.gz ZKUIPFHXALFYFP-UHFFFAOYSA-N -1 3 388.859 3.728 20 0 GHADHM CC(C)CCCCCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001184929228 913542269 /nfs/dbraw/zinc/54/22/69/913542269.db2.gz ZWBAFENSGFJFSV-QHCPKHFHSA-N -1 3 378.535 3.723 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000872988157 891412492 /nfs/dbraw/zinc/41/24/92/891412492.db2.gz JIILKCHGJLKCIX-IEBWSBKVSA-N -1 3 378.472 3.758 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccc(Br)cc2)c1 ZINC000128198792 891474989 /nfs/dbraw/zinc/47/49/89/891474989.db2.gz NKRIHHFNGQBRBB-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137068541 891475236 /nfs/dbraw/zinc/47/52/36/891475236.db2.gz HOWPUNPBJVPOAQ-GUYCJALGSA-N -1 3 389.293 3.989 20 0 GHADHM CCc1cc2c(CN(C)Cc3ccn(-c4ccccc4)n3)cc(=O)oc2cc1[O-] ZINC000917160196 891504042 /nfs/dbraw/zinc/50/40/42/891504042.db2.gz TUBNNGOCHJNMBY-UHFFFAOYSA-N -1 3 389.455 3.879 20 0 GHADHM COC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1noc2c1COCC2 ZINC001133733326 891544134 /nfs/dbraw/zinc/54/41/34/891544134.db2.gz KSBALYZUKAGYMJ-UHFFFAOYSA-N -1 3 384.413 3.515 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Cl)ccc1SC1CCCC1 ZINC000614914656 891588729 /nfs/dbraw/zinc/58/87/29/891588729.db2.gz HOCQWPNTOBGVDQ-UHFFFAOYSA-N -1 3 379.913 3.761 20 0 GHADHM CC(C)c1cccc(O[C@H](C(=O)NCCCc2cc(=O)[nH][n-]2)c2ccccc2)c1 ZINC000614922291 891598973 /nfs/dbraw/zinc/59/89/73/891598973.db2.gz ZTANEGIYZYHWJG-QFIPXVFZSA-N -1 3 393.487 3.702 20 0 GHADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873646269 891724826 /nfs/dbraw/zinc/72/48/26/891724826.db2.gz ZRXKCWVCCYXNNE-UPJWGTAASA-N -1 3 382.291 3.978 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1n[nH]c(-c2ccccc2)c1Br ZINC000128407909 891862814 /nfs/dbraw/zinc/86/28/14/891862814.db2.gz QVPJOZWECVHZNG-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM O=C(COc1ccc(Cl)c2cccnc12)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497567869 891904079 /nfs/dbraw/zinc/90/40/79/891904079.db2.gz NFFTZDLKFHIEND-UHFFFAOYSA-N -1 3 378.819 3.718 20 0 GHADHM Cc1ccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c(C)c1 ZINC001212097705 891968930 /nfs/dbraw/zinc/96/89/30/891968930.db2.gz FKYDHJSTYKHFHE-SFHVURJKSA-N -1 3 391.427 3.798 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2C(F)F)cc1OC ZINC000874109913 891998663 /nfs/dbraw/zinc/99/86/63/891998663.db2.gz QIFBOQQQFJBMOY-UHFFFAOYSA-N -1 3 390.433 3.708 20 0 GHADHM Cc1cc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)nn1-c1ccc(C)cc1 ZINC001202539238 892017384 /nfs/dbraw/zinc/01/73/84/892017384.db2.gz WHDWCWHSABYBNG-NSHDSACASA-N -1 3 393.373 3.509 20 0 GHADHM Cc1cc(F)ccc1[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001134064207 892235987 /nfs/dbraw/zinc/23/59/87/892235987.db2.gz MQUUZDASCHACSZ-CYBMUJFWSA-N -1 3 397.443 3.878 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[O-] ZINC000666824842 892312636 /nfs/dbraw/zinc/31/26/36/892312636.db2.gz FHEJKBLACOSBIN-UHFFFAOYSA-N -1 3 380.444 3.863 20 0 GHADHM O=C(Nc1ccsc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000125149512 892316728 /nfs/dbraw/zinc/31/67/28/892316728.db2.gz RKCCLKKPZYUCOG-UHFFFAOYSA-N -1 3 391.301 3.748 20 0 GHADHM CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(F)c(C)c1 ZINC000874924896 892377511 /nfs/dbraw/zinc/37/75/11/892377511.db2.gz ZZQKCZHKBUNTJG-UHFFFAOYSA-N -1 3 394.450 3.574 20 0 GHADHM Cc1cc(Cl)ccc1CN1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000497798115 892428625 /nfs/dbraw/zinc/42/86/25/892428625.db2.gz GEFAAHNOCVNHIX-UHFFFAOYSA-N -1 3 391.874 3.521 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000263090391 892428891 /nfs/dbraw/zinc/42/88/91/892428891.db2.gz AFOWCZKLXIGBJT-DGCLKSJQSA-N -1 3 379.254 3.647 20 0 GHADHM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000263088096 892429143 /nfs/dbraw/zinc/42/91/43/892429143.db2.gz HODXJOIOYJSHLS-RXVVDRJESA-N -1 3 386.536 3.576 20 0 GHADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)CCC(=O)[O-] ZINC000263442872 892560830 /nfs/dbraw/zinc/56/08/30/892560830.db2.gz XBARBHGJUGSMOS-UHFFFAOYSA-N -1 3 380.286 3.665 20 0 GHADHM Cc1cncc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000875391395 892588138 /nfs/dbraw/zinc/58/81/38/892588138.db2.gz PKTWMFXIQDNZGA-INIZCTEOSA-N -1 3 390.281 3.905 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1nc2ccccc2s1 ZINC000814382380 892619394 /nfs/dbraw/zinc/61/93/94/892619394.db2.gz MOBDTQGGHQUWKZ-QMMMGPOBSA-N -1 3 394.865 3.525 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1ccccc1-c1c(F)cccc1F)c2[O-] ZINC000428610977 892693372 /nfs/dbraw/zinc/69/33/72/892693372.db2.gz LYLSMEDNKWROCS-UHFFFAOYSA-N -1 3 380.354 3.871 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(C)c1 ZINC000917916065 892815001 /nfs/dbraw/zinc/81/50/01/892815001.db2.gz BWIPKILEDXRDCI-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM CCn1c(=O)c2ccccc2nc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000021329066 892886856 /nfs/dbraw/zinc/88/68/56/892886856.db2.gz PGLIGLASFCGSPO-UHFFFAOYSA-N -1 3 394.452 3.829 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H](O)C(F)(F)F ZINC000497985717 892889296 /nfs/dbraw/zinc/88/92/96/892889296.db2.gz WNYGIVQREZKHSW-JOYOIKCWSA-N -1 3 387.832 3.535 20 0 GHADHM O=C1[C@@H](NCc2cccc([O-])c2Cl)CCN1c1ccc(C(F)(F)F)cc1 ZINC000645155889 913713199 /nfs/dbraw/zinc/71/31/99/913713199.db2.gz WJWBDIUHYCLISO-AWEZNQCLSA-N -1 3 384.785 3.960 20 0 GHADHM O=C(NC[C@H]1CC=CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000068929985 892965192 /nfs/dbraw/zinc/96/51/92/892965192.db2.gz FYWUAGUSQRXOQZ-HNNXBMFYSA-N -1 3 388.464 3.713 20 0 GHADHM O=C(N[C@H]1CCCC2(CC2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000888702296 892977818 /nfs/dbraw/zinc/97/78/18/892977818.db2.gz KYIMNXGVGGANEL-LBPRGKRZSA-N -1 3 375.266 3.743 20 0 GHADHM OC[C@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1cccc(Br)c1 ZINC000428668747 893158688 /nfs/dbraw/zinc/15/86/88/893158688.db2.gz OGCNTECKUQVIEO-JTQLQIEISA-N -1 3 395.244 3.609 20 0 GHADHM CC(C)(C)Cc1nc(-c2ccc(-c3nc(-c4cc(=O)[n-]cn4)no3)cc2)no1 ZINC000563121654 893375442 /nfs/dbraw/zinc/37/54/42/893375442.db2.gz AJWZHNWUBRNXKS-UHFFFAOYSA-N -1 3 378.392 3.538 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cn3c(Br)cnc3s2)s1 ZINC000815086298 893434650 /nfs/dbraw/zinc/43/46/50/893434650.db2.gz GDWRHWPWRDWBIW-UHFFFAOYSA-N -1 3 386.300 3.560 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459442745 893531094 /nfs/dbraw/zinc/53/10/94/893531094.db2.gz CWZUXLOXJUHUBL-QGZVFWFLSA-N -1 3 390.487 3.501 20 0 GHADHM COc1ccc(Br)cc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000563289164 893569092 /nfs/dbraw/zinc/56/90/92/893569092.db2.gz LTVDSVASHUMTRO-IBGZPJMESA-N -1 3 390.277 3.686 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000563376562 893680183 /nfs/dbraw/zinc/68/01/83/893680183.db2.gz CKYHSXFDFFGHCU-ZDUSSCGKSA-N -1 3 387.867 3.644 20 0 GHADHM [O-]c1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1Br ZINC000459523420 893723917 /nfs/dbraw/zinc/72/39/17/893723917.db2.gz ILHAHZFVBRRBFF-UHFFFAOYSA-N -1 3 394.284 3.863 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ncccc1[O-] ZINC000069741701 893789902 /nfs/dbraw/zinc/78/99/02/893789902.db2.gz AXMSZPHFBAYSBG-QGZVFWFLSA-N -1 3 395.846 3.941 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000459584192 893817155 /nfs/dbraw/zinc/81/71/55/893817155.db2.gz OJCQIPPNZQIZGA-OAQYLSRUSA-N -1 3 383.448 3.635 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000129886993 894031657 /nfs/dbraw/zinc/03/16/57/894031657.db2.gz MZOAJDKQYNGNOD-FHLIZLRMSA-N -1 3 387.277 3.682 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)CCCCCC2)no1 ZINC000536896286 894055151 /nfs/dbraw/zinc/05/51/51/894055151.db2.gz JVLSKLUIVBTRLR-UHFFFAOYSA-N -1 3 393.509 3.693 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1F ZINC000536903471 894075608 /nfs/dbraw/zinc/07/56/08/894075608.db2.gz FRXQZUVDOCQSIE-GDBMZVCRSA-N -1 3 391.798 3.566 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(OCc3ccc(F)cc3)CC2)o1 ZINC000878336984 894202659 /nfs/dbraw/zinc/20/26/59/894202659.db2.gz XPYAMOVAWKHTGE-UHFFFAOYSA-N -1 3 383.423 3.763 20 0 GHADHM O=c1[nH]cc(-c2ccccn2)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185430046 913857222 /nfs/dbraw/zinc/85/72/22/913857222.db2.gz YTGPYLSBCZLTKT-UHFFFAOYSA-N -1 3 383.454 3.865 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@@H]2CCCOc3cc(Br)ccc32)c[n-]1 ZINC000815979790 894351979 /nfs/dbraw/zinc/35/19/79/894351979.db2.gz NVVXSVAOVVRVQR-CQSZACIVSA-N -1 3 394.221 3.635 20 0 GHADHM Cc1nc2ccccc2n1C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878537657 894369828 /nfs/dbraw/zinc/36/98/28/894369828.db2.gz GWDLDHFPJKTPMP-UHFFFAOYSA-N -1 3 389.459 3.937 20 0 GHADHM CCCN(CCc1cccs1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000935412072 894451435 /nfs/dbraw/zinc/45/14/35/894451435.db2.gz CWODVVUMIWLLPN-UHFFFAOYSA-N -1 3 376.428 3.963 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3coc(-c4ccccc4Cl)n3)nc21 ZINC000537355499 894828311 /nfs/dbraw/zinc/82/83/11/894828311.db2.gz ADDMCJBDUDDRSW-UHFFFAOYSA-N -1 3 396.790 3.910 20 0 GHADHM Cc1cc(Cl)c2ccccc2c1NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000879206935 894905811 /nfs/dbraw/zinc/90/58/11/894905811.db2.gz ZSTJWHPVUPFTFG-UHFFFAOYSA-N -1 3 398.850 3.692 20 0 GHADHM [O-]c1ccc(F)c(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1F ZINC000816554748 894940131 /nfs/dbraw/zinc/94/01/31/894940131.db2.gz ICOBAUJAKZRHSW-HNNXBMFYSA-N -1 3 381.728 3.864 20 0 GHADHM O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000816769113 895044405 /nfs/dbraw/zinc/04/44/05/895044405.db2.gz URVGGVXFHFMKLJ-KTKRTIGZSA-N -1 3 384.863 3.936 20 0 GHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000816777149 895065390 /nfs/dbraw/zinc/06/53/90/895065390.db2.gz SZIKCVIMFDQICK-QZTJIDSGSA-N -1 3 398.469 3.809 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Br)ccc1Cl ZINC001185524190 913938153 /nfs/dbraw/zinc/93/81/53/913938153.db2.gz DEFOVOYELWJBCQ-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)c(F)c1F ZINC001185515645 913931285 /nfs/dbraw/zinc/93/12/85/913931285.db2.gz PWLNBTMTQQVFTB-UHFFFAOYSA-N -1 3 395.475 3.527 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([O-])ccc3Cl)CC[C@H]21 ZINC000817004117 895255934 /nfs/dbraw/zinc/25/59/34/895255934.db2.gz UBTVRTHFBWJXGI-BLLLJJGKSA-N -1 3 380.872 3.517 20 0 GHADHM CCN(C[C@H]1CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C1)CC(F)(F)F ZINC000565034180 895358426 /nfs/dbraw/zinc/35/84/26/895358426.db2.gz BCQRGWNXUNUMAF-CQSZACIVSA-N -1 3 395.425 3.952 20 0 GHADHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565198758 895455031 /nfs/dbraw/zinc/45/50/31/895455031.db2.gz MLKWFESHTLWLIY-CYBMUJFWSA-N -1 3 389.736 3.886 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)sc2C1 ZINC001135903440 895559799 /nfs/dbraw/zinc/55/97/99/895559799.db2.gz VMNUPLZRKNCURW-MRVPVSSYSA-N -1 3 375.400 3.640 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000880227024 895582313 /nfs/dbraw/zinc/58/23/13/895582313.db2.gz GAYIXHDTXJAZLE-UHFFFAOYSA-N -1 3 386.277 3.585 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826155577 895658799 /nfs/dbraw/zinc/65/87/99/895658799.db2.gz UXKLUAGDSGEPOY-ZDUSSCGKSA-N -1 3 399.426 3.799 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826155577 895658803 /nfs/dbraw/zinc/65/88/03/895658803.db2.gz UXKLUAGDSGEPOY-ZDUSSCGKSA-N -1 3 399.426 3.799 20 0 GHADHM COCc1ccsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000826165319 895730697 /nfs/dbraw/zinc/73/06/97/895730697.db2.gz OTNODIIASOXHIG-SECBINFHSA-N -1 3 389.506 3.513 20 0 GHADHM COCc1ccsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826165319 895730707 /nfs/dbraw/zinc/73/07/07/895730707.db2.gz OTNODIIASOXHIG-SECBINFHSA-N -1 3 389.506 3.513 20 0 GHADHM CCc1cccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c1[O-] ZINC000565755419 895852150 /nfs/dbraw/zinc/85/21/50/895852150.db2.gz ZRHNEIISELSUNY-UHFFFAOYSA-N -1 3 394.496 3.768 20 0 GHADHM Nc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c([O-])c1 ZINC000817924259 895963876 /nfs/dbraw/zinc/96/38/76/895963876.db2.gz MUPKEKHXJVCRJH-UHFFFAOYSA-N -1 3 387.867 3.943 20 0 GHADHM CCN(c1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1)C(C)C ZINC001136139050 896157765 /nfs/dbraw/zinc/15/77/65/896157765.db2.gz OPVTXRDBUBVGHS-UHFFFAOYSA-N -1 3 383.492 3.694 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC000818788232 896241594 /nfs/dbraw/zinc/24/15/94/896241594.db2.gz ONCHYVJCLOKCAH-UHFFFAOYSA-N -1 3 388.489 3.654 20 0 GHADHM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(CCCc2ccccc2Br)CC1 ZINC000566368760 896260810 /nfs/dbraw/zinc/26/08/10/896260810.db2.gz QNTYEDUBWUTMHJ-AEFFLSMTSA-N -1 3 396.325 3.583 20 0 GHADHM CSc1cccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826231145 896557663 /nfs/dbraw/zinc/55/76/63/896557663.db2.gz ZAKYYTSDLOXDEJ-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM CSc1cccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826231145 896557671 /nfs/dbraw/zinc/55/76/71/896557671.db2.gz ZAKYYTSDLOXDEJ-UHFFFAOYSA-N -1 3 391.909 3.973 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000566776319 896562501 /nfs/dbraw/zinc/56/25/01/896562501.db2.gz BOVWIYSHHAUXKG-LLVKDONJSA-N -1 3 395.527 3.659 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)cnc1Br ZINC001185796078 914090555 /nfs/dbraw/zinc/09/05/55/914090555.db2.gz XEROUKTZDQLUJP-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000826251413 896701542 /nfs/dbraw/zinc/70/15/42/896701542.db2.gz OTGSQIUGOIXSMT-UHFFFAOYSA-N -1 3 387.447 3.892 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000826251413 896701550 /nfs/dbraw/zinc/70/15/50/896701550.db2.gz OTGSQIUGOIXSMT-UHFFFAOYSA-N -1 3 387.447 3.892 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)C[C@H](C)c1nccs1 ZINC000826268317 896802727 /nfs/dbraw/zinc/80/27/27/896802727.db2.gz SGFPGYXXEBTTJS-NSHDSACASA-N -1 3 383.456 3.559 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)C[C@H](C)c1nccs1 ZINC000826268317 896802736 /nfs/dbraw/zinc/80/27/36/896802736.db2.gz SGFPGYXXEBTTJS-NSHDSACASA-N -1 3 383.456 3.559 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)CCCC(C)(C)C)c1nc(-c2ccncc2)no1 ZINC000567086078 896861193 /nfs/dbraw/zinc/86/11/93/896861193.db2.gz XTZZSJAIOICAIW-OAHLLOKOSA-N -1 3 380.514 3.574 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826277833 896863473 /nfs/dbraw/zinc/86/34/73/896863473.db2.gz IRFURDQKOGPBCS-HNNXBMFYSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826277833 896863478 /nfs/dbraw/zinc/86/34/78/896863478.db2.gz IRFURDQKOGPBCS-HNNXBMFYSA-N -1 3 398.854 3.864 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1cccc(OC)c1 ZINC001136316027 897244994 /nfs/dbraw/zinc/24/49/94/897244994.db2.gz PKCXNNXRXAYBRJ-LJQANCHMSA-N -1 3 385.460 3.949 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220355 897246273 /nfs/dbraw/zinc/24/62/73/897246273.db2.gz RSTGSVOPOBMWSF-ZDUSSCGKSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H](C1CC1)N(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820220355 897246288 /nfs/dbraw/zinc/24/62/88/897246288.db2.gz RSTGSVOPOBMWSF-ZDUSSCGKSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000820219022 897246576 /nfs/dbraw/zinc/24/65/76/897246576.db2.gz SDTXTVOVAKKQPA-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357109 897290425 /nfs/dbraw/zinc/29/04/25/897290425.db2.gz DVKCBXMJHGSFOX-QSFXBCCZSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357109 897290436 /nfs/dbraw/zinc/29/04/36/897290436.db2.gz DVKCBXMJHGSFOX-QSFXBCCZSA-N -1 3 390.491 3.638 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)c1[O-] ZINC000567901867 897479031 /nfs/dbraw/zinc/47/90/31/897479031.db2.gz VEVVOCXBABYIPR-FQEVSTJZSA-N -1 3 394.471 3.845 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1O)Nc1ccc(F)c([O-])c1 ZINC001185934328 914177995 /nfs/dbraw/zinc/17/79/95/914177995.db2.gz WNPBKHVKGFOAHA-UHFFFAOYSA-N -1 3 388.439 3.946 20 0 GHADHM O=C1c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc2CC1(Cl)Cl ZINC000821119470 897722177 /nfs/dbraw/zinc/72/21/77/897722177.db2.gz QWFFMERNBFLZLX-UHFFFAOYSA-N -1 3 392.210 3.678 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1OC1CCCCC1 ZINC001275484111 914202290 /nfs/dbraw/zinc/20/22/90/914202290.db2.gz WGPQHAMWMKRNHC-UHFFFAOYSA-N -1 3 381.411 3.970 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1OC1CCCCC1 ZINC001275484111 914202306 /nfs/dbraw/zinc/20/23/06/914202306.db2.gz WGPQHAMWMKRNHC-UHFFFAOYSA-N -1 3 381.411 3.970 20 0 GHADHM CN(C)C(=O)Sc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821577957 897955633 /nfs/dbraw/zinc/95/56/33/897955633.db2.gz GFZBOKQKEHYFIW-UHFFFAOYSA-N -1 3 388.884 3.906 20 0 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392.374 3.677 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1C ZINC000629332142 906714384 /nfs/dbraw/zinc/71/43/84/906714384.db2.gz GIIMWQFSKDTQEH-GFCCVEGCSA-N -1 3 388.489 3.583 20 0 GHADHM COc1ccc([C@@H]2CCN(C(=O)c3cc([O-])cc(Br)c3)C2)cc1F ZINC000629714555 906975792 /nfs/dbraw/zinc/97/57/92/906975792.db2.gz FJLAVUMZKZSZFF-GFCCVEGCSA-N -1 3 394.240 3.932 20 0 GHADHM COC[C@H](C)N(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CCc2ccccc21 ZINC000629745628 907004757 /nfs/dbraw/zinc/00/47/57/907004757.db2.gz AYPCCTYAKVOIIM-KSSFIOAISA-N -1 3 385.460 3.574 20 0 GHADHM COc1cc(F)cc(OC)c1CNC[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000630450053 907284383 /nfs/dbraw/zinc/28/43/83/907284383.db2.gz AQYTXODZKMEOPN-ZDUSSCGKSA-N -1 3 381.831 3.529 20 0 GHADHM Cc1cc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])ccc1F ZINC001175250854 907454214 /nfs/dbraw/zinc/45/42/14/907454214.db2.gz JFQUNHASTCZNFN-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM Cc1csc([C@@H](C)CNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000183943660 907482125 /nfs/dbraw/zinc/48/21/25/907482125.db2.gz UJUSTJOURLXKOU-VIFPVBQESA-N -1 3 384.299 3.523 20 0 GHADHM FC(F)(F)c1cc(Br)cnc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175424869 907545029 /nfs/dbraw/zinc/54/50/29/907545029.db2.gz GMVALPNJGVRSPS-UHFFFAOYSA-N -1 3 385.147 3.787 20 0 GHADHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)OC(C)(C)C ZINC001175432428 907551908 /nfs/dbraw/zinc/55/19/08/907551908.db2.gz MVXNALDBMFDHDP-UHFFFAOYSA-N -1 3 382.424 3.966 20 0 GHADHM O=C([N-]CC[C@H]1CN(CC[C@H](O)c2ccccc2)c2ccccc21)C(F)(F)F ZINC001175482882 907570092 /nfs/dbraw/zinc/57/00/92/907570092.db2.gz ADNGPBUEWBVWIC-LPHOPBHVSA-N -1 3 392.421 3.783 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)n1 ZINC001175621270 907647119 /nfs/dbraw/zinc/64/71/19/907647119.db2.gz IVIDQCSGOHTTJD-NRFANRHFSA-N -1 3 392.544 3.508 20 0 GHADHM O=C(CNC(=O)c1cc(F)cc2n[n-]nc21)c1sc2ccccc2c1Cl ZINC001175723528 907703341 /nfs/dbraw/zinc/70/33/41/907703341.db2.gz MKXRXSNYJDAFAX-UHFFFAOYSA-N -1 3 388.811 3.578 20 0 GHADHM COc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c(OCc2cccnc2)c1 ZINC000901553734 921354227 /nfs/dbraw/zinc/35/42/27/921354227.db2.gz ZYBHBYBFSCEUPH-KRWDZBQOSA-N -1 3 384.476 3.746 20 0 GHADHM Cc1cc(Br)c(F)cc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000186508041 907935223 /nfs/dbraw/zinc/93/52/23/907935223.db2.gz XZGOWEBTSJNGOK-UHFFFAOYSA-N -1 3 396.260 3.838 20 0 GHADHM O=S(=O)(C[C@H]1CCCC(F)(F)C1)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000632540112 908054481 /nfs/dbraw/zinc/05/44/81/908054481.db2.gz WQDDMSZVJUWDDS-JKSUJKDBSA-N -1 3 384.448 3.703 20 0 GHADHM CS(=O)(=O)c1ccc(Nc2cc(=O)[n-]n2C2CCCC2)c(C(F)(F)F)c1 ZINC001176403368 908099120 /nfs/dbraw/zinc/09/91/20/908099120.db2.gz IYVWBOILOGFLQT-UHFFFAOYSA-N -1 3 389.399 3.870 20 0 GHADHM O=C([O-])C[C@H](c1ccccc1)C1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000901599318 921385998 /nfs/dbraw/zinc/38/59/98/921385998.db2.gz JEVYYAGOPHDIIZ-HXUWFJFHSA-N -1 3 381.472 3.928 20 0 GHADHM COCC[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccnc1 ZINC001176774006 908246317 /nfs/dbraw/zinc/24/63/17/908246317.db2.gz FPEAKRFFRZHIAP-OAQYLSRUSA-N -1 3 376.456 3.886 20 0 GHADHM C[C@](NCc1ccc(C(F)F)nc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000901621377 921405788 /nfs/dbraw/zinc/40/57/88/921405788.db2.gz IEOBTBQHVISZKG-MRXNPFEDSA-N -1 3 385.208 3.871 20 0 GHADHM Cc1nn(C(C)C)cc1CN[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000901622346 921406877 /nfs/dbraw/zinc/40/68/77/921406877.db2.gz NJJKWZZTRORTSD-KRWDZBQOSA-N -1 3 380.286 3.625 20 0 GHADHM Cc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Br ZINC001177102087 908408443 /nfs/dbraw/zinc/40/84/43/908408443.db2.gz XAAPNTJSJVOGEK-UHFFFAOYSA-N -1 3 392.297 3.789 20 0 GHADHM C[C@H](SC[C@@H](O)C(F)(F)F)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000191096328 908575537 /nfs/dbraw/zinc/57/55/37/908575537.db2.gz CPBJJFVFCUKKSC-OIBJUYFYSA-N -1 3 390.408 3.962 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192529251 908795282 /nfs/dbraw/zinc/79/52/82/908795282.db2.gz FULRSYHXZJFFTA-NSHDSACASA-N -1 3 383.279 3.819 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001178004563 908843852 /nfs/dbraw/zinc/84/38/52/908843852.db2.gz KFUAWXKIORLSNG-UHFFFAOYSA-N -1 3 398.417 3.639 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001178004563 908843872 /nfs/dbraw/zinc/84/38/72/908843872.db2.gz KFUAWXKIORLSNG-UHFFFAOYSA-N -1 3 398.417 3.639 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC1CCCCCCC1 ZINC000299558141 921445700 /nfs/dbraw/zinc/44/57/00/921445700.db2.gz XQHNNVFPIMLKLR-UHFFFAOYSA-N -1 3 382.508 3.962 20 0 GHADHM COCCN(CCC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)o1 ZINC000901664472 921448614 /nfs/dbraw/zinc/44/86/14/921448614.db2.gz UJBPQRROCMSHFQ-UHFFFAOYSA-N -1 3 382.254 3.632 20 0 GHADHM Cc1ccc(-n2cc(CN(CCC(=O)[O-])C[C@@H]3CCCO3)c(C(C)(C)C)n2)cc1 ZINC000901675952 921459355 /nfs/dbraw/zinc/45/93/55/921459355.db2.gz ASBAYQORDAUULU-FQEVSTJZSA-N -1 3 399.535 3.934 20 0 GHADHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CCC2 ZINC000779941995 909110432 /nfs/dbraw/zinc/11/04/32/909110432.db2.gz LZSJXJFBHZFXMB-VIFPVBQESA-N -1 3 378.306 3.509 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000635062785 909124103 /nfs/dbraw/zinc/12/41/03/909124103.db2.gz QRWYBIAHLFYJRX-UHFFFAOYSA-N -1 3 391.468 3.681 20 0 GHADHM O=C([O-])Nc1ccc(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000740703107 909172294 /nfs/dbraw/zinc/17/22/94/909172294.db2.gz NKGPCVRVKWBVHU-FQEVSTJZSA-N -1 3 381.476 3.662 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000266971151 909354318 /nfs/dbraw/zinc/35/43/18/909354318.db2.gz BPCIBORBHFIZGI-JTQLQIEISA-N -1 3 379.407 3.881 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Cl)c(C)cc2Br)n1 ZINC000636110097 909430875 /nfs/dbraw/zinc/43/08/75/909430875.db2.gz JERUNWMOVMEZGZ-UHFFFAOYSA-N -1 3 398.688 3.880 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)n1 ZINC000636112061 909431166 /nfs/dbraw/zinc/43/11/66/909431166.db2.gz ORSYLNRBIBRWHN-UHFFFAOYSA-N -1 3 389.761 3.708 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1[O-] ZINC001179351729 909479850 /nfs/dbraw/zinc/47/98/50/909479850.db2.gz HEKQQUXUTGNXQU-ZHRRBRCNSA-N -1 3 388.508 3.864 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC001179366748 909508237 /nfs/dbraw/zinc/50/82/37/909508237.db2.gz PLQBHKBTIGLSIL-KRWDZBQOSA-N -1 3 376.497 3.891 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320701 909541278 /nfs/dbraw/zinc/54/12/78/909541278.db2.gz RSNZESCMTBGKCS-GOSISDBHSA-N -1 3 389.883 3.823 20 0 GHADHM CC(C)c1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)nn1-c1ccccc1 ZINC000636321001 909541916 /nfs/dbraw/zinc/54/19/16/909541916.db2.gz WWKMKPAOKRPHTM-UHFFFAOYSA-N -1 3 391.475 3.689 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC(=O)c1cc2c(s1)CCCC2 ZINC001179580488 909613063 /nfs/dbraw/zinc/61/30/63/909613063.db2.gz WWEYHBKOPYRWOG-UHFFFAOYSA-N -1 3 375.465 3.793 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CC[C@@H](C)[C@H]3C)c2)c1 ZINC000267876044 909678625 /nfs/dbraw/zinc/67/86/25/909678625.db2.gz REXANQSTMMADDX-ZIAGYGMSSA-N -1 3 398.459 3.532 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)c([O-])c(OC)c1 ZINC001179886327 909806937 /nfs/dbraw/zinc/80/69/37/909806937.db2.gz LHFFGRDYKSFZMK-UHFFFAOYSA-N -1 3 383.322 3.767 20 0 GHADHM CC(C)O[C@H](COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000795310999 909821500 /nfs/dbraw/zinc/82/15/00/909821500.db2.gz PEQUIIPQRPXDNL-PZJWPPBQSA-N -1 3 397.471 3.706 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179948939 909824916 /nfs/dbraw/zinc/82/49/16/909824916.db2.gz NNKPYBNXRCPDHA-ZDUSSCGKSA-N -1 3 399.834 3.826 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179948939 909824924 /nfs/dbraw/zinc/82/49/24/909824924.db2.gz NNKPYBNXRCPDHA-ZDUSSCGKSA-N -1 3 399.834 3.826 20 0 GHADHM O=C(Cc1ccc(F)cc1Cl)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179955304 909866127 /nfs/dbraw/zinc/86/61/27/909866127.db2.gz RKEHVIMMSDCYJN-UHFFFAOYSA-N -1 3 387.798 3.740 20 0 GHADHM O=C(Cc1ccc(F)cc1Cl)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179955304 909866141 /nfs/dbraw/zinc/86/61/41/909866141.db2.gz RKEHVIMMSDCYJN-UHFFFAOYSA-N -1 3 387.798 3.740 20 0 GHADHM COc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795339466 909983158 /nfs/dbraw/zinc/98/31/58/909983158.db2.gz JMPNPIQHPSJNNT-OAHLLOKOSA-N -1 3 377.462 3.656 20 0 GHADHM Cc1csc([C@](O)(CC(=O)Nc2ccc(Cl)cc2[O-])C(F)(F)F)n1 ZINC000270133731 910453529 /nfs/dbraw/zinc/45/35/29/910453529.db2.gz SIRZBASPPCXONL-CYBMUJFWSA-N -1 3 380.775 3.589 20 0 GHADHM COCCOc1cccc(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)c1 ZINC000901799374 921577898 /nfs/dbraw/zinc/57/78/98/921577898.db2.gz YXMWGWUPNNRIIX-UHFFFAOYSA-N -1 3 390.505 3.555 20 0 GHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ncc([O-])cc1Br ZINC001180970418 910464513 /nfs/dbraw/zinc/46/45/13/910464513.db2.gz IWWGGZHIYRLYKL-UHFFFAOYSA-N -1 3 380.629 3.797 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001181178323 910590794 /nfs/dbraw/zinc/59/07/94/910590794.db2.gz UCDCCGMUEKDIGJ-UHFFFAOYSA-N -1 3 377.238 3.714 20 0 GHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639820787 910694626 /nfs/dbraw/zinc/69/46/26/910694626.db2.gz RIGGWKWAOQCVSW-GFCCVEGCSA-N -1 3 394.397 3.540 20 0 GHADHM CCCOc1ccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000271138240 910790976 /nfs/dbraw/zinc/79/09/76/910790976.db2.gz VCKYIINRJOGYFH-UHFFFAOYSA-N -1 3 392.459 3.913 20 0 GHADHM O=c1nc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000640101270 910828478 /nfs/dbraw/zinc/82/84/78/910828478.db2.gz ZSHSWTMSOWUVQW-CFVMTHIKSA-N -1 3 385.489 3.782 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001181635439 910863177 /nfs/dbraw/zinc/86/31/77/910863177.db2.gz ZJLKBOMTJIBEBD-DZGCQCFKSA-N -1 3 394.443 3.519 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000640292261 910952870 /nfs/dbraw/zinc/95/28/70/910952870.db2.gz IWBXVTOWKYGEAQ-LLVKDONJSA-N -1 3 378.807 3.951 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)c1C ZINC000640309520 910963392 /nfs/dbraw/zinc/96/33/92/910963392.db2.gz JUVLIKPYFRTLNM-OAHLLOKOSA-N -1 3 377.286 3.590 20 0 GHADHM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1Br ZINC000640314250 910965080 /nfs/dbraw/zinc/96/50/80/910965080.db2.gz CMYZWKLZVCPJON-AWEZNQCLSA-N -1 3 377.286 3.590 20 0 GHADHM CCc1ccc(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)c([O-])c1 ZINC001181857023 911041484 /nfs/dbraw/zinc/04/14/84/911041484.db2.gz SXVGQOAFQIZJMZ-KRWDZBQOSA-N -1 3 387.785 3.788 20 0 GHADHM CC(C)[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC001182272785 911383714 /nfs/dbraw/zinc/38/37/14/911383714.db2.gz QJGFWEKUSKUINI-JTQLQIEISA-N -1 3 391.191 3.964 20 0 GHADHM CC(C)[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC001182272785 911383727 /nfs/dbraw/zinc/38/37/27/911383727.db2.gz QJGFWEKUSKUINI-JTQLQIEISA-N -1 3 391.191 3.964 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(Cl)cc1-n1cncn1 ZINC000795621126 911437254 /nfs/dbraw/zinc/43/72/54/911437254.db2.gz RNIIFJGNGBFGKK-UHFFFAOYSA-N -1 3 389.814 3.832 20 0 GHADHM O=S(=O)([N-]c1nn(CC(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000641693444 911484064 /nfs/dbraw/zinc/48/40/64/911484064.db2.gz ZCJPIIUVHVVYGB-ZYHUDNBSSA-N -1 3 397.781 3.536 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(C)(C)C1 ZINC000283444246 911510787 /nfs/dbraw/zinc/51/07/87/911510787.db2.gz HCNAPOZLNCAFJX-SFHVURJKSA-N -1 3 399.491 3.706 20 0 GHADHM CCCOc1ccc(OCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000642323050 911978736 /nfs/dbraw/zinc/97/87/36/911978736.db2.gz KDWYCFAPMLVDMU-UHFFFAOYSA-N -1 3 380.238 3.961 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)[C@@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182711726 911995109 /nfs/dbraw/zinc/99/51/09/911995109.db2.gz JWPCKARLZGPOFV-SNVBAGLBSA-N -1 3 386.249 3.775 20 0 GHADHM CCCCC1CCC(c2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)n[nH]2)CC1 ZINC001182756947 912003912 /nfs/dbraw/zinc/00/39/12/912003912.db2.gz GRACWPYYDUEGHD-UHFFFAOYSA-N -1 3 398.507 3.948 20 0 GHADHM CCNc1nc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)cs1 ZINC001299398098 912005158 /nfs/dbraw/zinc/00/51/58/912005158.db2.gz QOLKCCOQRWMKNP-UHFFFAOYSA-N -1 3 395.897 3.911 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nc3ccc(Br)cc3s2)C[C@H]1C1CC1 ZINC000901897954 921714242 /nfs/dbraw/zinc/71/42/42/921714242.db2.gz WCXVQZRLPWFTPF-NWDGAFQWSA-N -1 3 381.295 3.601 20 0 GHADHM Cc1coc(C)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000285188268 912200847 /nfs/dbraw/zinc/20/08/47/912200847.db2.gz IPEWECBKAGPYRM-UHFFFAOYSA-N -1 3 376.840 3.746 20 0 GHADHM CC(CNC(=O)c1ccccc1-c1nnn[n-]1)(c1ccccc1)c1ccccc1 ZINC001187007130 914938656 /nfs/dbraw/zinc/93/86/56/914938656.db2.gz QZRASIAHLXAZEB-UHFFFAOYSA-N -1 3 383.455 3.603 20 0 GHADHM CC(CNC(=O)c1ccccc1-c1nn[n-]n1)(c1ccccc1)c1ccccc1 ZINC001187007130 914938673 /nfs/dbraw/zinc/93/86/73/914938673.db2.gz QZRASIAHLXAZEB-UHFFFAOYSA-N -1 3 383.455 3.603 20 0 GHADHM Cc1cc(Oc2ccc(CN[C@@H]3CCO[C@@H]3C(=O)[O-])c(Cl)c2)ccc1F ZINC000901918709 921732876 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GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCO[C@H]3c3ccncc3)c2)n1 ZINC000649624438 916271619 /nfs/dbraw/zinc/27/16/19/916271619.db2.gz BIDWEBRRUCEKIE-QUCCMNQESA-N -1 3 390.443 3.523 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2ccccn2)CC1 ZINC000360776001 916311731 /nfs/dbraw/zinc/31/17/31/916311731.db2.gz OPTWZWAGXVSQPC-UHFFFAOYSA-N -1 3 390.281 3.639 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(F)cc1Br ZINC001189011664 916339516 /nfs/dbraw/zinc/33/95/16/916339516.db2.gz WSFZNPPTENXEKA-LBPRGKRZSA-N -1 3 394.306 3.524 20 0 GHADHM Nc1ncc(Cl)nc1[N-]C(=O)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC001189051358 916370582 /nfs/dbraw/zinc/37/05/82/916370582.db2.gz CVVUXKDBWAQQSZ-UHFFFAOYSA-N -1 3 383.717 3.638 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ccccc1C1OCCO1 ZINC001189537315 916732527 /nfs/dbraw/zinc/73/25/27/916732527.db2.gz MKDBTWMMBKKRQI-UHFFFAOYSA-N -1 3 387.379 3.693 20 0 GHADHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)ccc1Cl ZINC001189690780 916831788 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20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(CO)CC=CC1 ZINC001191694666 918160948 /nfs/dbraw/zinc/16/09/48/918160948.db2.gz WQCDZIQMFBEEOP-OAHLLOKOSA-N -1 3 378.321 3.625 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(-c2ccccc2)cc1F ZINC000775487244 918241403 /nfs/dbraw/zinc/24/14/03/918241403.db2.gz LHBVKOIFYNHZQF-UHFFFAOYSA-N -1 3 379.317 3.951 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192063488 918397788 /nfs/dbraw/zinc/39/77/88/918397788.db2.gz MKJNESMCEXRYQL-UHFFFAOYSA-N -1 3 389.864 3.915 20 0 GHADHM CC(C)CCOc1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Cl)cc1 ZINC000015916825 919387139 /nfs/dbraw/zinc/38/71/39/919387139.db2.gz YHEFTMLCQZVNEN-UHFFFAOYSA-N -1 3 378.831 3.979 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1C ZINC000038698759 919688448 /nfs/dbraw/zinc/68/84/48/919688448.db2.gz QQNOLXKMQPAQDP-UHFFFAOYSA-N -1 3 388.489 3.630 20 0 GHADHM Cc1cc(F)ncc1CN[C@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000900047597 919771438 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385.848 3.660 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cccc(F)c2Br)C[C@H]1c1ccccc1 ZINC000903407938 922996388 /nfs/dbraw/zinc/99/63/88/922996388.db2.gz BMHVWEQAPSMDLA-LSDHHAIUSA-N -1 3 378.241 3.888 20 0 GHADHM O=C([O-])c1ccc2c(c1)CCN(CCOc1ccc(Br)cc1)C2 ZINC000903618677 923130697 /nfs/dbraw/zinc/13/06/97/923130697.db2.gz JWQZJGOUWIEKIG-UHFFFAOYSA-N -1 3 376.250 3.584 20 0 GHADHM CO[C@@]1(c2noc(-c3c[n-]c(=NC(=O)OC(C)(C)C)s3)n2)CCSC1 ZINC000903870510 923356229 /nfs/dbraw/zinc/35/62/29/923356229.db2.gz JCNJMFZQHYNHQB-HNNXBMFYSA-N -1 3 384.483 3.519 20 0 GHADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903900276 923381479 /nfs/dbraw/zinc/38/14/79/923381479.db2.gz CNGFDTIEEISFIL-IUODEOHRSA-N -1 3 381.341 3.742 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cncc(OCc3ccccc3)c2)[C@@H]([C@H]2CCCO2)C1 ZINC000903943124 923420139 /nfs/dbraw/zinc/42/01/39/923420139.db2.gz ZPZUEZYNSRGRCE-CEMLEFRQSA-N -1 3 396.487 3.505 20 0 GHADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)nn1-c1ccccc1Cl 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GHADHM COC[C@H]([N-]C(=O)C(F)(F)c1ccccc1NC(C)=O)c1ccc(F)c(F)c1 ZINC000827798550 926007020 /nfs/dbraw/zinc/00/70/20/926007020.db2.gz QHBONYDSPXSAKI-KRWDZBQOSA-N -1 3 398.356 3.519 20 0 GHADHM C[C@@H]1CC[C@H](CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)O1 ZINC000682717195 926217482 /nfs/dbraw/zinc/21/74/82/926217482.db2.gz VCJDDNJZIWSGGC-ZWNOBZJWSA-N -1 3 376.869 3.834 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c([O-])c1 ZINC000682804528 926254195 /nfs/dbraw/zinc/25/41/95/926254195.db2.gz XJDZWUGLTDQNSD-UHFFFAOYSA-N -1 3 396.487 3.736 20 0 GHADHM CCC1(Cc2ccccc2)CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000373603804 926280298 /nfs/dbraw/zinc/28/02/98/926280298.db2.gz LSXQDNCKLSQXHJ-UHFFFAOYSA-N -1 3 381.520 3.993 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccccc2C(F)(F)F)ccc1F ZINC000725993059 926523175 /nfs/dbraw/zinc/52/31/75/926523175.db2.gz IRBOCEFKMJMOJH-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(Cl)c3cccnc23)c([O-])c1 ZINC000726204572 926587262 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GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000751371461 928160133 /nfs/dbraw/zinc/16/01/33/928160133.db2.gz IUCHZZQUIYVZTB-SNVBAGLBSA-N -1 3 386.709 3.720 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000751394870 928169835 /nfs/dbraw/zinc/16/98/35/928169835.db2.gz YQZWHOCFDAMTHL-BJOHPYRUSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C)o1 ZINC000751445386 928196912 /nfs/dbraw/zinc/19/69/12/928196912.db2.gz GQDNBABLTNHMOC-MRXNPFEDSA-N -1 3 392.304 3.698 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@@H](O)c1c(F)cccc1F ZINC000751465136 928204733 /nfs/dbraw/zinc/20/47/33/928204733.db2.gz FQBVKYCNCIBJMW-XJKSGUPXSA-N -1 3 393.814 3.548 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1([C@@H](O)c2ccccc2)CC1 ZINC000752035738 928562849 /nfs/dbraw/zinc/56/28/49/928562849.db2.gz JIWQEXDBCGFMLJ-SFHVURJKSA-N -1 3 389.448 3.672 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)OC)cc2)cc1 ZINC000467074016 928664230 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GHADHM O=C(CS(=O)(=O)c1cccc([O-])c1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000544596266 929322025 /nfs/dbraw/zinc/32/20/25/929322025.db2.gz UIRDIZAXOXNLSZ-NRFANRHFSA-N -1 3 387.501 3.604 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715752 929330765 /nfs/dbraw/zinc/33/07/65/929330765.db2.gz XMAPKFDOVCZKPN-UHFFFAOYSA-N -1 3 394.381 3.921 20 0 GHADHM CCO[C@H](C)c1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)s1 ZINC000467718034 929332773 /nfs/dbraw/zinc/33/27/73/929332773.db2.gz KHNUXRFJONXMIO-SECBINFHSA-N -1 3 378.404 3.583 20 0 GHADHM CC(C)([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)NCC1CCCCC1 ZINC000757101280 929640677 /nfs/dbraw/zinc/64/06/77/929640677.db2.gz HJERMHGRGIVKER-UHFFFAOYSA-N -1 3 388.405 3.648 20 0 GHADHM CON(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CCCC1 ZINC000757633930 929751609 /nfs/dbraw/zinc/75/16/09/929751609.db2.gz WPUAOQHCAHAMRU-UHFFFAOYSA-N -1 3 392.452 3.573 20 0 GHADHM CC(=O)N1CC[C@@H]([N-]C(=O)C(F)(F)c2c(F)cccc2F)c2ccccc21 ZINC000757642006 929756035 /nfs/dbraw/zinc/75/60/35/929756035.db2.gz OVLQHNMEYDHZOL-OAHLLOKOSA-N -1 3 380.341 3.671 20 0 GHADHM CCc1nnc([C@H](C)OC(=O)c2n[n-]c(-c3ccccc3)c2Br)o1 ZINC000757724865 929783857 /nfs/dbraw/zinc/78/38/57/929783857.db2.gz FTKUYRMFBNMRTQ-VIFPVBQESA-N -1 3 391.225 3.703 20 0 GHADHM Cc1nc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2F)no1 ZINC000469388619 929839863 /nfs/dbraw/zinc/83/98/63/929839863.db2.gz NEKCOINNVHFVOK-IBGZPJMESA-N -1 3 387.386 3.590 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000469816991 930180836 /nfs/dbraw/zinc/18/08/36/930180836.db2.gz GKFUXBZZBRBTKT-UHFFFAOYSA-N -1 3 379.435 3.625 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000469818253 930182241 /nfs/dbraw/zinc/18/22/41/930182241.db2.gz JCTPSIPRBPUNHW-UHFFFAOYSA-N -1 3 397.446 3.941 20 0 GHADHM C[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000759115743 930278802 /nfs/dbraw/zinc/27/88/02/930278802.db2.gz HCOKWXLDRHTDKP-NCUBORBFSA-N -1 3 380.419 3.576 20 0 GHADHM CC[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(OC)c1 ZINC000759375604 930354978 /nfs/dbraw/zinc/35/49/78/930354978.db2.gz XFFFQDMNQNZTJQ-KRWDZBQOSA-N -1 3 381.425 3.514 20 0 GHADHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780390054 930504288 /nfs/dbraw/zinc/50/42/88/930504288.db2.gz ZWZWHOAAWOCOTL-CYBMUJFWSA-N -1 3 382.432 3.650 20 0 GHADHM O=C([N-]N1CCc2ccccc2C1=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000780717869 930584669 /nfs/dbraw/zinc/58/46/69/930584669.db2.gz BZXZTTKWYSIWBB-UHFFFAOYSA-N -1 3 378.378 3.975 20 0 GHADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])cnc1N1CCCC[C@H]1C ZINC000780779877 930597022 /nfs/dbraw/zinc/59/70/22/930597022.db2.gz CVYRDVCJAYRQGY-CQSZACIVSA-N -1 3 377.448 3.670 20 0 GHADHM C[C@@H]1CCC[C@@H](c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)C1 ZINC000547056978 930655467 /nfs/dbraw/zinc/65/54/67/930655467.db2.gz PPBWKBYDDXBFGR-VXGBXAGGSA-N -1 3 379.457 3.610 20 0 GHADHM C[C@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000470579712 930727439 /nfs/dbraw/zinc/72/74/39/930727439.db2.gz YMBBUMNWZCTYRA-CQSZACIVSA-N -1 3 390.480 3.935 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc([C@@H]3CCCO3)no2)cc1 ZINC000547181766 930772007 /nfs/dbraw/zinc/77/20/07/930772007.db2.gz XKZKJYBXGRYVSL-INIZCTEOSA-N -1 3 389.408 3.528 20 0 GHADHM C/C=C\c1ccc(OCC(=O)OCc2noc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000782071208 931081394 /nfs/dbraw/zinc/08/13/94/931081394.db2.gz OXCMQGCLZTVMJK-UTCJRWHESA-N -1 3 396.399 3.606 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1sccc1Br ZINC000783032194 931391019 /nfs/dbraw/zinc/39/10/19/931391019.db2.gz ZDIWCSAZVHXIAP-UHFFFAOYSA-N -1 3 381.207 3.623 20 0 GHADHM COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000557451760 931438264 /nfs/dbraw/zinc/43/82/64/931438264.db2.gz INUNKTAADWTFIA-QHCPKHFHSA-N -1 3 375.424 3.502 20 0 GHADHM Cc1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(Cl)c1C ZINC000783646263 931606481 /nfs/dbraw/zinc/60/64/81/931606481.db2.gz PGBSRLJSPAHABE-NRFANRHFSA-N -1 3 399.878 3.545 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H](c2cccs2)c2ccc(F)cc2)c2ccccc21 ZINC000783678139 931615299 /nfs/dbraw/zinc/61/52/99/931615299.db2.gz DWOCBSZEXJVIDQ-GTVARFKMSA-N -1 3 378.428 3.877 20 0 GHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000557819438 931704808 /nfs/dbraw/zinc/70/48/08/931704808.db2.gz AZJNXIDTEZHKNN-NXEZZACHSA-N -1 3 387.420 3.677 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](Cc2ccccc2)C1)c1cccnc1C(F)(F)F ZINC000557847822 931719961 /nfs/dbraw/zinc/71/99/61/931719961.db2.gz WTHVVRBNUZFHFK-CABCVRRESA-N -1 3 384.423 3.790 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3nc4c(s3)CCCC4)cc2)cc(=O)[n-]1 ZINC000926446001 932185650 /nfs/dbraw/zinc/18/56/50/932185650.db2.gz CAHBMNHUJJUNHF-UHFFFAOYSA-N -1 3 395.488 3.815 20 0 GHADHM CS[C@H](C)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000797214892 932223819 /nfs/dbraw/zinc/22/38/19/932223819.db2.gz UYGQIGOURMTRMF-CHWSQXEVSA-N -1 3 397.493 3.923 20 0 GHADHM CCc1oc(C(=O)[N-]c2cc(F)cc(Br)c2F)cc1C(=O)OC ZINC000558794039 932236987 /nfs/dbraw/zinc/23/69/87/932236987.db2.gz OUZAONANPFWQCR-UHFFFAOYSA-N -1 3 388.164 3.922 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCc1c(F)ccc(Br)c1F ZINC000797844986 932428526 /nfs/dbraw/zinc/42/85/26/932428526.db2.gz OWYWSBOFNAEICO-UHFFFAOYSA-N -1 3 386.192 3.744 20 0 GHADHM O=C([N-]CC1CCN(Cc2cnc(C3CCCC3)s2)CC1)C(F)(F)F ZINC000798956301 932838665 /nfs/dbraw/zinc/83/86/65/932838665.db2.gz QXPXEIKJHHRICE-UHFFFAOYSA-N -1 3 375.460 3.691 20 0 GHADHM O=C([N-]CC1CCN(Cc2nc(-c3ccccc3)cs2)CC1)C(F)(F)F ZINC000798956409 932838769 /nfs/dbraw/zinc/83/87/69/932838769.db2.gz WLBXAEVAWWYJRM-UHFFFAOYSA-N -1 3 383.439 3.701 20 0 GHADHM C/C(=C\c1ccccc1Cl)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799022920 932854417 /nfs/dbraw/zinc/85/44/17/932854417.db2.gz RRDKXEVGMKWCDK-ZRDIBKRKSA-N -1 3 388.817 3.660 20 0 GHADHM O=c1cc(CN2CCc3c(ncn3-c3ccccc3)C2)nc(-c2ccccc2)[n-]1 ZINC000929070569 933227614 /nfs/dbraw/zinc/22/76/14/933227614.db2.gz UNPHJIMMSREEGG-UHFFFAOYSA-N -1 3 383.455 3.593 20 0 GHADHM Cc1nccc([N-]S(=O)(=O)c2csc3ccccc32)c1Br ZINC000560452385 933266266 /nfs/dbraw/zinc/26/62/66/933266266.db2.gz PDSYQJCSWHVNFD-UHFFFAOYSA-N -1 3 383.292 3.590 20 0 GHADHM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000560640718 933413794 /nfs/dbraw/zinc/41/37/94/933413794.db2.gz RJUHXKKHEIIBOG-MRXNPFEDSA-N -1 3 383.444 3.643 20 0 GHADHM Cc1ccc(CCCCC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001116241311 933430100 /nfs/dbraw/zinc/43/01/00/933430100.db2.gz UOAXLKCSHCXISJ-UHFFFAOYSA-N -1 3 392.496 3.535 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CC34CC4)c2)cc1 ZINC000561088239 933851975 /nfs/dbraw/zinc/85/19/75/933851975.db2.gz OQFJIYVQTQYFEX-INIZCTEOSA-N -1 3 384.501 3.634 20 0 GHADHM O=S(=O)([N-]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(Cl)s1 ZINC001117213218 933889673 /nfs/dbraw/zinc/88/96/73/933889673.db2.gz ZJFLVGRAHGCKSW-UHFFFAOYSA-N -1 3 390.273 3.583 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C3CC4(CC4(F)F)C3)s2)cs1 ZINC001118444817 934171350 /nfs/dbraw/zinc/17/13/50/934171350.db2.gz VYPIKWPYGVKTPN-UHFFFAOYSA-N -1 3 376.475 3.646 20 0 GHADHM COC(=O)c1cc(Cl)c(Cl)c([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c1 ZINC001119287873 934325519 /nfs/dbraw/zinc/32/55/19/934325519.db2.gz BLOCEPREAJUSMM-NSHDSACASA-N -1 3 385.203 3.872 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001119409662 934345183 /nfs/dbraw/zinc/34/51/83/934345183.db2.gz LMWYFJQVYGBGAW-CYBMUJFWSA-N -1 3 394.431 3.549 20 0 GHADHM COc1ccc(Br)cc1C(=O)CCC(=O)[N-]OC1CCCCC1 ZINC000777961223 934389206 /nfs/dbraw/zinc/38/92/06/934389206.db2.gz LUGFJYPZCSQPIK-UHFFFAOYSA-N -1 3 384.270 3.801 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120716818 934499004 /nfs/dbraw/zinc/49/90/04/934499004.db2.gz MYOZWPMETUQAMK-NXEZZACHSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)F)cc1 ZINC000931624332 934649189 /nfs/dbraw/zinc/64/91/89/934649189.db2.gz GWEUTEPNOZKIEW-UHFFFAOYSA-N -1 3 393.484 3.974 20 0 GHADHM CN(C)c1nc(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)cc(=O)[n-]1 ZINC000562208960 934760870 /nfs/dbraw/zinc/76/08/70/934760870.db2.gz YZEOAYWBBKZNBV-UHFFFAOYSA-N -1 3 395.290 3.575 20 0 GHADHM O=C(OC[C@@H]1CCOC2(CCOCC2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123381567 935175158 /nfs/dbraw/zinc/17/51/58/935175158.db2.gz FWOUQXBQJGTDEB-GFCCVEGCSA-N -1 3 380.391 3.633 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cnc(Cl)cc1C(F)(F)F ZINC001123962670 935324607 /nfs/dbraw/zinc/32/46/07/935324607.db2.gz VUNKMYDVDLSMDQ-MRVPVSSYSA-N -1 3 378.763 3.709 20 0 GHADHM C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001124228026 935360295 /nfs/dbraw/zinc/36/02/95/935360295.db2.gz DFLSTQMEMZYBEL-DZGCQCFKSA-N -1 3 383.485 3.662 20 0 GHADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cnc2ccnn2c1C(F)F ZINC001124618099 935428736 /nfs/dbraw/zinc/42/87/36/935428736.db2.gz QQUIKSJORPYEQJ-UHFFFAOYSA-N -1 3 378.408 3.818 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnn4c3C[C@H](C)CC4)nc(=O)c2c1C ZINC000829573882 935829414 /nfs/dbraw/zinc/82/94/14/935829414.db2.gz GUXUXLOVOKGMNN-KOLCDFICSA-N -1 3 386.477 3.711 20 0 GHADHM O=S(=O)(NN=c1[n-]cc(C(F)(F)F)cc1Cl)c1ccc(C2CC2)cc1 ZINC000829618054 935834515 /nfs/dbraw/zinc/83/45/15/935834515.db2.gz LFVWJQYVVKWNJT-UHFFFAOYSA-N -1 3 391.802 3.937 20 0 GHADHM COc1ccccc1[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000830134233 935905006 /nfs/dbraw/zinc/90/50/06/935905006.db2.gz RDIFBIBPDWUPDP-OAHLLOKOSA-N -1 3 377.444 3.754 20 0 GHADHM CCC1CCC(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908885525 939345669 /nfs/dbraw/zinc/34/56/69/939345669.db2.gz ZWXQNFNXPGZADC-BTARREFKSA-N -1 3 387.524 3.545 20 0 GHADHM Brc1ccc(CN2CCCc3c(-c4nnn[n-]4)cccc32)s1 ZINC001573279937 946649610 /nfs/dbraw/zinc/64/96/10/946649610.db2.gz NZFDAZPJRLVECW-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM Brc1ccc(CN2CCCc3c(-c4nn[n-]n4)cccc32)s1 ZINC001573279937 946649619 /nfs/dbraw/zinc/64/96/19/946649619.db2.gz NZFDAZPJRLVECW-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573364689 947724656 /nfs/dbraw/zinc/72/46/56/947724656.db2.gz IRRTZFGOFGWRJM-JLHYYAGUSA-N -1 3 388.387 3.689 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573364689 947724661 /nfs/dbraw/zinc/72/46/61/947724661.db2.gz IRRTZFGOFGWRJM-JLHYYAGUSA-N -1 3 388.387 3.689 20 0 GHADHM C[C@@H](C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001573755433 948767747 /nfs/dbraw/zinc/76/77/47/948767747.db2.gz DTFFZIMKBYKQCE-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001573755433 948767762 /nfs/dbraw/zinc/76/77/62/948767762.db2.gz DTFFZIMKBYKQCE-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM CC(C)[C@@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001574079976 948777857 /nfs/dbraw/zinc/77/78/57/948777857.db2.gz MMMOUYUYEQDHLY-QZTJIDSGSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001574079976 948777866 /nfs/dbraw/zinc/77/78/66/948777866.db2.gz MMMOUYUYEQDHLY-QZTJIDSGSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@@H](O)[C@@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001574079978 948778411 /nfs/dbraw/zinc/77/84/11/948778411.db2.gz MMMOUYUYEQDHLY-ZWKOTPCHSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@@H](O)[C@@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001574079978 948778422 /nfs/dbraw/zinc/77/84/22/948778422.db2.gz MMMOUYUYEQDHLY-ZWKOTPCHSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001574421790 948823566 /nfs/dbraw/zinc/82/35/66/948823566.db2.gz PDAYPXPKEHSNHU-UHFFFAOYSA-N -1 3 377.448 3.885 20 0 GHADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001574421790 948823583 /nfs/dbraw/zinc/82/35/83/948823583.db2.gz PDAYPXPKEHSNHU-UHFFFAOYSA-N -1 3 377.448 3.885 20 0 GHADHM CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001574092678 949074669 /nfs/dbraw/zinc/07/46/69/949074669.db2.gz SHGBPMWFNANXOU-DLBZAZTESA-N -1 3 378.432 3.994 20 0 GHADHM CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001574092678 949074685 /nfs/dbraw/zinc/07/46/85/949074685.db2.gz SHGBPMWFNANXOU-DLBZAZTESA-N -1 3 378.432 3.994 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575504727 949084230 /nfs/dbraw/zinc/08/42/30/949084230.db2.gz WXEHSRJJYIGMQM-AUUYWEPGSA-N -1 3 393.516 3.682 20 0 GHADHM C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575504727 949084250 /nfs/dbraw/zinc/08/42/50/949084250.db2.gz WXEHSRJJYIGMQM-AUUYWEPGSA-N -1 3 393.516 3.682 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC001574098485 949162505 /nfs/dbraw/zinc/16/25/05/949162505.db2.gz AWNPSVWJBGYZHJ-PWSUYJOCSA-N -1 3 377.539 3.523 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC001574098485 949162519 /nfs/dbraw/zinc/16/25/19/949162519.db2.gz AWNPSVWJBGYZHJ-PWSUYJOCSA-N -1 3 377.539 3.523 20 0 GHADHM CC(C)(C(=O)Nc1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788724 949209086 /nfs/dbraw/zinc/20/90/86/949209086.db2.gz USMDQMRNDGEWAU-UHFFFAOYSA-N -1 3 392.850 3.985 20 0 GHADHM CC(C)(C(=O)Nc1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788724 949209102 /nfs/dbraw/zinc/20/91/02/949209102.db2.gz USMDQMRNDGEWAU-UHFFFAOYSA-N -1 3 392.850 3.985 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1(c2ccccc2)CCCC1 ZINC001575265926 949461905 /nfs/dbraw/zinc/46/19/05/949461905.db2.gz VYJMVFCIBKCVLY-LKBMAGLMSA-N -1 3 387.487 3.897 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1(c2ccccc2)CCCC1 ZINC001575265926 949461911 /nfs/dbraw/zinc/46/19/11/949461911.db2.gz VYJMVFCIBKCVLY-LKBMAGLMSA-N -1 3 387.487 3.897 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001576157196 949472845 /nfs/dbraw/zinc/47/28/45/949472845.db2.gz ZCMURTGEZIQGKA-RDTXWAMCSA-N -1 3 376.464 3.919 20 0 GHADHM C[C@H](CNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)c1ccccn1 ZINC001574950680 949544164 /nfs/dbraw/zinc/54/41/64/949544164.db2.gz RKIHIOKZNQTRBU-LLVKDONJSA-N -1 3 385.497 3.546 20 0 GHADHM C[C@H](CNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)c1ccccn1 ZINC001574950680 949544180 /nfs/dbraw/zinc/54/41/80/949544180.db2.gz RKIHIOKZNQTRBU-LLVKDONJSA-N -1 3 385.497 3.546 20 0 GHADHM C[C@@H](CC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(F)cc1F ZINC001574491941 950052350 /nfs/dbraw/zinc/05/23/50/950052350.db2.gz HEAYCSJLEAPGLF-BUXKBTBVSA-N -1 3 397.429 3.832 20 0 GHADHM C[C@@H](CC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1F ZINC001574491941 950052370 /nfs/dbraw/zinc/05/23/70/950052370.db2.gz HEAYCSJLEAPGLF-BUXKBTBVSA-N -1 3 397.429 3.832 20 0 GHADHM CC(C)C[C@@H](Nc1cc(-c2nnn[n-]2)cnn1)c1cccc(C(F)(F)F)c1 ZINC001574162612 950392181 /nfs/dbraw/zinc/39/21/81/950392181.db2.gz FJTVXOMFJWQVSP-CQSZACIVSA-N -1 3 377.374 3.875 20 0 GHADHM CC(C)C[C@@H](Nc1cc(-c2nn[n-]n2)cnn1)c1cccc(C(F)(F)F)c1 ZINC001574162612 950392198 /nfs/dbraw/zinc/39/21/98/950392198.db2.gz FJTVXOMFJWQVSP-CQSZACIVSA-N -1 3 377.374 3.875 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC001573863737 950485862 /nfs/dbraw/zinc/48/58/62/950485862.db2.gz PBRYSXJXYKHSAG-UHFFFAOYSA-N -1 3 391.790 3.802 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC001573863737 950485877 /nfs/dbraw/zinc/48/58/77/950485877.db2.gz PBRYSXJXYKHSAG-UHFFFAOYSA-N -1 3 391.790 3.802 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C=CCC1 ZINC001575614457 950531715 /nfs/dbraw/zinc/53/17/15/950531715.db2.gz DAABYBHJKKQAND-NRFANRHFSA-N -1 3 375.432 3.741 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)C=CCC1 ZINC001575614457 950531731 /nfs/dbraw/zinc/53/17/31/950531731.db2.gz DAABYBHJKKQAND-NRFANRHFSA-N -1 3 375.432 3.741 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)Nc2cccc3c2CCO3)cc1-c1nnn[n-]1 ZINC001573876197 950664497 /nfs/dbraw/zinc/66/44/97/950664497.db2.gz DWGLZNDJULKKGD-UHFFFAOYSA-N -1 3 394.435 3.623 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)Nc2cccc3c2CCO3)cc1-c1nn[n-]n1 ZINC001573876197 950664506 /nfs/dbraw/zinc/66/45/06/950664506.db2.gz DWGLZNDJULKKGD-UHFFFAOYSA-N -1 3 394.435 3.623 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cccc(Cl)n3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576214472 950669720 /nfs/dbraw/zinc/66/97/20/950669720.db2.gz APSAESPLMZIUCH-RKDXNWHRSA-N -1 3 388.884 3.915 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)c3cccc(Cl)n3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576214472 950669725 /nfs/dbraw/zinc/66/97/25/950669725.db2.gz APSAESPLMZIUCH-RKDXNWHRSA-N -1 3 388.884 3.915 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574519250 950672560 /nfs/dbraw/zinc/67/25/60/950672560.db2.gz DENQBBAHZYOQIT-ZDUSSCGKSA-N -1 3 382.443 3.884 20 0 GHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574519250 950672572 /nfs/dbraw/zinc/67/25/72/950672572.db2.gz DENQBBAHZYOQIT-ZDUSSCGKSA-N -1 3 382.443 3.884 20 0 GHADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001575624877 950673964 /nfs/dbraw/zinc/67/39/64/950673964.db2.gz PWWVHTKDPNKNRQ-UHFFFAOYSA-N -1 3 378.274 3.640 20 0 GHADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001575624877 950673969 /nfs/dbraw/zinc/67/39/69/950673969.db2.gz PWWVHTKDPNKNRQ-UHFFFAOYSA-N -1 3 378.274 3.640 20 0 GHADHM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001573876552 950674597 /nfs/dbraw/zinc/67/45/97/950674597.db2.gz QJHPIOBQBUCWLR-UHFFFAOYSA-N -1 3 385.855 3.627 20 0 GHADHM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001573876552 950674607 /nfs/dbraw/zinc/67/46/07/950674607.db2.gz QJHPIOBQBUCWLR-UHFFFAOYSA-N -1 3 385.855 3.627 20 0 GHADHM CC1CCN(c2ccc(F)cc2NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001576214553 950676175 /nfs/dbraw/zinc/67/61/75/950676175.db2.gz PWQZBEVPLQNOAZ-UHFFFAOYSA-N -1 3 398.417 3.634 20 0 GHADHM CC1CCN(c2ccc(F)cc2NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001576214553 950676186 /nfs/dbraw/zinc/67/61/86/950676186.db2.gz PWQZBEVPLQNOAZ-UHFFFAOYSA-N -1 3 398.417 3.634 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001576216319 950727505 /nfs/dbraw/zinc/72/75/05/950727505.db2.gz HSSXIDXQNSBMPY-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@H]1CCc2ccccc2N1C(=O)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001576216319 950727519 /nfs/dbraw/zinc/72/75/19/950727519.db2.gz HSSXIDXQNSBMPY-LBPRGKRZSA-N -1 3 399.907 3.980 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC001573882032 950763462 /nfs/dbraw/zinc/76/34/62/950763462.db2.gz OQEBFKOSMGYHGW-ZDUSSCGKSA-N -1 3 398.898 3.870 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC001573882032 950763476 /nfs/dbraw/zinc/76/34/76/950763476.db2.gz OQEBFKOSMGYHGW-ZDUSSCGKSA-N -1 3 398.898 3.870 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)Cc3cccc(C(F)F)c3)c(-c3nnn[n-]3)cc2C1 ZINC001576220189 950826363 /nfs/dbraw/zinc/82/63/63/950826363.db2.gz VZBNSAGORSBYIB-LLVKDONJSA-N -1 3 398.417 3.505 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)Cc3cccc(C(F)F)c3)c(-c3nn[n-]n3)cc2C1 ZINC001576220189 950826379 /nfs/dbraw/zinc/82/63/79/950826379.db2.gz VZBNSAGORSBYIB-LLVKDONJSA-N -1 3 398.417 3.505 20 0 GHADHM CN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380436728 971699129 /nfs/dbraw/zinc/69/91/29/971699129.db2.gz LFPVOGOJSOURSD-SFHVURJKSA-N -1 3 387.867 3.776 20 0 GHADHM C[C@H](CSC(F)(F)F)C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001575184926 952425169 /nfs/dbraw/zinc/42/51/69/952425169.db2.gz HNQMRYGBGOHJPO-SNVBAGLBSA-N -1 3 385.415 3.641 20 0 GHADHM C[C@H](CSC(F)(F)F)C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001575184926 952425174 /nfs/dbraw/zinc/42/51/74/952425174.db2.gz HNQMRYGBGOHJPO-SNVBAGLBSA-N -1 3 385.415 3.641 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCCc1ccccc1 ZINC001575190906 952465034 /nfs/dbraw/zinc/46/50/34/952465034.db2.gz UVJVCIIAJDFEPD-QGZVFWFLSA-N -1 3 377.492 3.575 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCCc1ccccc1 ZINC001575190906 952465038 /nfs/dbraw/zinc/46/50/38/952465038.db2.gz UVJVCIIAJDFEPD-QGZVFWFLSA-N -1 3 377.492 3.575 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1(C)C ZINC001602917175 971875657 /nfs/dbraw/zinc/87/56/57/971875657.db2.gz QQPZUFAMFAPKQV-BHYGNILZSA-N -1 3 378.513 3.652 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279921 953484192 /nfs/dbraw/zinc/48/41/92/953484192.db2.gz QRJLWHUQLWUAPQ-HLIPFELVSA-N -1 3 380.488 3.647 20 0 GHADHM O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1Cl ZINC001594803656 953760617 /nfs/dbraw/zinc/76/06/17/953760617.db2.gz BJKAQUYTRSDXLV-CYBMUJFWSA-N -1 3 391.830 3.573 20 0 GHADHM CN(C)[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccccc1 ZINC001593691368 954035195 /nfs/dbraw/zinc/03/51/95/954035195.db2.gz OFVFDWPKMDZRPH-CQSZACIVSA-N -1 3 379.819 3.602 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cc(Br)ccc1Cl)O2 ZINC001594905166 954667671 /nfs/dbraw/zinc/66/76/71/954667671.db2.gz LNMJWQQHAQRYHF-RYCVTPFZSA-N -1 3 388.689 3.605 20 0 GHADHM C[C@@H](CNCc1c(Br)cc(F)c(F)c1N1CCCCC1)C(=O)[O-] ZINC001589066290 955747869 /nfs/dbraw/zinc/74/78/69/955747869.db2.gz CEETXBOQOMGJEO-JTQLQIEISA-N -1 3 391.256 3.528 20 0 GHADHM O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)co1 ZINC000902269350 956690986 /nfs/dbraw/zinc/69/09/86/956690986.db2.gz JHWGHKJFFHZADS-OEIFXAAASA-N -1 3 382.460 3.552 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001573554794 959248389 /nfs/dbraw/zinc/24/83/89/959248389.db2.gz FTPNADQNYXUHPP-IBGZPJMESA-N -1 3 385.464 3.596 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCCN(Cc2ccccc2)C1 ZINC001517332060 962766431 /nfs/dbraw/zinc/76/64/31/962766431.db2.gz IDFULEKYZIVKRN-OOICKAIWSA-N -1 3 398.547 3.829 20 0 GHADHM C[C@H](N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314840791 963819484 /nfs/dbraw/zinc/81/94/84/963819484.db2.gz VGWKTMUEDJUKHY-XQQFMLRXSA-N -1 3 383.514 3.575 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398001899 973049707 /nfs/dbraw/zinc/04/97/07/973049707.db2.gz WSCFVJTYBNFMBC-FZKQIMNGSA-N -1 3 387.867 3.823 20 0 GHADHM C[C@H](NCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000400934725 973332354 /nfs/dbraw/zinc/33/23/54/973332354.db2.gz MFCHCESPZJGKRO-ZDUSSCGKSA-N -1 3 397.541 3.919 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001603654730 974023199 /nfs/dbraw/zinc/02/31/99/974023199.db2.gz DLVSZSYTQJAYQZ-KRWDZBQOSA-N -1 3 390.871 3.638 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001606529342 974046189 /nfs/dbraw/zinc/04/61/89/974046189.db2.gz WJCMIAMNKYYPGF-SFHVURJKSA-N -1 3 382.460 3.579 20 0 GHADHM O=S(=O)([N-]CCC1=CCCCC1)c1cnc(Cl)c(Br)c1 ZINC000033859207 1014243832 /nfs/dbraw/zinc/24/38/32/1014243832.db2.gz ULWZLLMMNOUQNL-UHFFFAOYSA-N -1 3 379.707 3.666 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4nsnc43)c2)n1 ZINC001625885542 1014314578 /nfs/dbraw/zinc/31/45/78/1014314578.db2.gz LLQZRHRTJHEFJE-UHFFFAOYSA-N -1 3 377.429 3.669 20 0 GHADHM CC(C)c1n[nH]c(CC2CCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)n1 ZINC001592014316 976693838 /nfs/dbraw/zinc/69/38/38/976693838.db2.gz DBJDDKRDNZGJKG-KRWDZBQOSA-N -1 3 394.878 3.801 20 0 GHADHM CC(C)c1nc(CC2CCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)n[nH]1 ZINC001592014316 976693839 /nfs/dbraw/zinc/69/38/39/976693839.db2.gz DBJDDKRDNZGJKG-KRWDZBQOSA-N -1 3 394.878 3.801 20 0 GHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592050034 976784554 /nfs/dbraw/zinc/78/45/54/976784554.db2.gz JYPQKACOKKDAAX-GDBMZVCRSA-N -1 3 375.900 3.861 20 0 GHADHM Cc1ccnc(Oc2ccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2)c1 ZINC001625915817 1014372685 /nfs/dbraw/zinc/37/26/85/1014372685.db2.gz FIGDNZLLBSYQPF-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM Cc1ccnc(Oc2ccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2)c1 ZINC001625915817 1014372696 /nfs/dbraw/zinc/37/26/96/1014372696.db2.gz FIGDNZLLBSYQPF-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cc(F)ccc1OC(F)F ZINC001592267247 977513014 /nfs/dbraw/zinc/51/30/14/977513014.db2.gz CBNIQPJQFLMKQJ-LLVKDONJSA-N -1 3 396.365 3.632 20 0 GHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C)C(F)F ZINC000452247714 1014551529 /nfs/dbraw/zinc/55/15/29/1014551529.db2.gz NIJVPOPRMQGQFC-QGZVFWFLSA-N -1 3 396.459 3.878 20 0 GHADHM CCC(CC)(NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001595101522 979408821 /nfs/dbraw/zinc/40/88/21/979408821.db2.gz TVKXNAGOOFUEIN-UHFFFAOYSA-N -1 3 380.916 3.849 20 0 GHADHM CC[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(Cl)c1 ZINC001595284280 980354940 /nfs/dbraw/zinc/35/49/40/980354940.db2.gz RPXFIIBCDPXLQO-GJZGRUSLSA-N -1 3 378.881 3.946 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1Cl ZINC000157839469 1014730695 /nfs/dbraw/zinc/73/06/95/1014730695.db2.gz QEMSBGOBKDHQOY-UHFFFAOYSA-N -1 3 398.937 3.703 20 0 GHADHM Cn1c(=O)oc2cc([N-]C(=O)c3cc(-c4cccc(Cl)c4)on3)c(F)cc21 ZINC001626102178 1014885333 /nfs/dbraw/zinc/88/53/33/1014885333.db2.gz WWMUGMYCXNMSAI-UHFFFAOYSA-N -1 3 387.754 3.831 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccco1 ZINC001594994313 982872177 /nfs/dbraw/zinc/87/21/77/982872177.db2.gz LBCNMDBMSOUFJQ-IUODEOHRSA-N -1 3 391.493 3.951 20 0 GHADHM CCN1CC[C@@H](NCc2cc(C(=O)[O-])ccc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596410307 983999899 /nfs/dbraw/zinc/99/98/99/983999899.db2.gz JYHGNXQNEZHELA-IEBWSBKVSA-N -1 3 396.384 3.866 20 0 GHADHM CCN1CC[C@@H](NCc2cc(C)c(C(=O)[O-])o2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596410602 984002205 /nfs/dbraw/zinc/00/22/05/984002205.db2.gz QJAJPGMSRDBHDA-WBVHZDCISA-N -1 3 382.382 3.629 20 0 GHADHM O=S(=O)([N-][C@@]1(C(F)(F)F)CCc2ccccc21)c1cccc2cnccc21 ZINC000544838102 1015085421 /nfs/dbraw/zinc/08/54/21/1015085421.db2.gz ODFHURNIEULXEJ-SFHVURJKSA-N -1 3 392.402 3.917 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2cc(-c3ccccc3)ns2)n[nH]1 ZINC000467992515 1015114141 /nfs/dbraw/zinc/11/41/41/1015114141.db2.gz DTIQCYQXLQWWHK-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ncccc1OCc1cccc(Cl)c1 ZINC000468010786 1015139520 /nfs/dbraw/zinc/13/95/20/1015139520.db2.gz BNSPPGAYMPDUCB-UHFFFAOYSA-N -1 3 384.823 3.736 20 0 GHADHM Cc1[nH]c(CNCc2ccc(C(=O)OCc3ccccc3)cc2)cc1C(=O)[O-] ZINC001599962678 985819594 /nfs/dbraw/zinc/81/95/94/985819594.db2.gz CBUSMDMJOCEUNK-UHFFFAOYSA-N -1 3 378.428 3.668 20 0 GHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])n1ccc2ccccc2c1=O ZINC000468110004 1015277322 /nfs/dbraw/zinc/27/73/22/1015277322.db2.gz NAAPCTOMRKPMPM-NSHDSACASA-N -1 3 387.233 3.669 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC001589504430 987113707 /nfs/dbraw/zinc/11/37/07/987113707.db2.gz KWYZKDROHJBKBI-CQSZACIVSA-N -1 3 375.494 3.532 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001589711696 987840105 /nfs/dbraw/zinc/84/01/05/987840105.db2.gz FHTOGRAGPIAJDD-SFHVURJKSA-N -1 3 385.439 3.984 20 0 GHADHM CCc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)c(C(=O)[O-])c1 ZINC001597547734 988262925 /nfs/dbraw/zinc/26/29/25/988262925.db2.gz OFXCVRWLFNNWCR-UHFFFAOYSA-N -1 3 399.491 3.552 20 0 GHADHM CSc1ccccc1OC[C@@H](O)CN(Cc1csc(C(=O)[O-])c1)C(C)C ZINC001599825358 988589349 /nfs/dbraw/zinc/58/93/49/988589349.db2.gz VEWGSBXDPNBZJW-HNNXBMFYSA-N -1 3 395.546 3.819 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1csc(C(=O)[O-])c1)C2 ZINC001590024800 989012933 /nfs/dbraw/zinc/01/29/33/989012933.db2.gz DDFBGUNNAJQWIM-LJQANCHMSA-N -1 3 380.510 3.812 20 0 GHADHM CCc1oc(CN[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1C(=O)[O-] ZINC001597801388 989394594 /nfs/dbraw/zinc/39/45/94/989394594.db2.gz BYAXTEGHEIZXFR-CYBMUJFWSA-N -1 3 378.856 3.571 20 0 GHADHM CCc1oc(CN[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1C(=O)[O-] ZINC001597802573 989402924 /nfs/dbraw/zinc/40/29/24/989402924.db2.gz RVSXHKIEMIBNQI-LBPRGKRZSA-N -1 3 380.391 3.510 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CN(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001590314670 989742363 /nfs/dbraw/zinc/74/23/63/989742363.db2.gz HVMLZWHIAJRHHY-UHFFFAOYSA-N -1 3 376.375 3.873 20 0 GHADHM COc1ccccc1O[C@@H]1CCCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001599715814 991453110 /nfs/dbraw/zinc/45/31/10/991453110.db2.gz XWGLNODTOUTCDH-KTZABMDBSA-N -1 3 397.471 3.715 20 0 GHADHM CN(C[C@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1)C(=O)OC(C)(C)C ZINC001598460610 991952585 /nfs/dbraw/zinc/95/25/85/991952585.db2.gz XBFYDCJRLJSNLG-CQSZACIVSA-N -1 3 391.512 3.669 20 0 GHADHM Cc1cc(C)c(NC(=O)CN(C)C(=O)CCCc2ccc([O-])c(F)c2)c(C)c1 ZINC000468412069 1015682213 /nfs/dbraw/zinc/68/22/13/1015682213.db2.gz LYDPOWLEXCQYOQ-UHFFFAOYSA-N -1 3 386.467 3.876 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000468420492 1015690423 /nfs/dbraw/zinc/69/04/23/1015690423.db2.gz OWPDMDPXOLUJRC-UHFFFAOYSA-N -1 3 397.450 3.773 20 0 GHADHM CN1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1c1ccccc1 ZINC001598585010 993369969 /nfs/dbraw/zinc/36/99/69/993369969.db2.gz BWKBSPDBEOPWGO-ZCNNSNEGSA-N -1 3 395.503 3.583 20 0 GHADHM Cn1ccnc1[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000468547715 1015794597 /nfs/dbraw/zinc/79/45/97/1015794597.db2.gz KIRWQZCYUMSSIN-FQEVSTJZSA-N -1 3 385.414 3.632 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000468554636 1015800607 /nfs/dbraw/zinc/80/06/07/1015800607.db2.gz NPMNWBXAWRMZSK-UHFFFAOYSA-N -1 3 393.842 3.985 20 0 GHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194148 994129928 /nfs/dbraw/zinc/12/99/28/994129928.db2.gz AJBYUUZRLRCUTL-VBKZILBWSA-N -1 3 393.418 3.950 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2csc(Br)c2)c1 ZINC001599655337 994569580 /nfs/dbraw/zinc/56/95/80/994569580.db2.gz JUOHCHUXGIBYDW-INIZCTEOSA-N -1 3 384.295 3.999 20 0 GHADHM C[C@](NCC[S@@](=O)c1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593271236 994601347 /nfs/dbraw/zinc/60/13/47/994601347.db2.gz GEEJPIRCRKLDOC-MZNJEOGPSA-N -1 3 386.300 3.691 20 0 GHADHM COc1cccc([C@H](N[C@H](C)c2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC001599659440 994633433 /nfs/dbraw/zinc/63/34/33/994633433.db2.gz YBFXIWTYGKWYOE-VFNWGFHPSA-N -1 3 382.460 3.689 20 0 GHADHM C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593316663 994811395 /nfs/dbraw/zinc/81/13/95/994811395.db2.gz JBHIZNLSCRLQBC-UWJYYQICSA-N -1 3 389.499 3.783 20 0 GHADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001593699560 996171102 /nfs/dbraw/zinc/17/11/02/996171102.db2.gz OCEWFGREBPDELR-LOKFHWFJSA-N -1 3 382.485 3.863 20 0 GHADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC001593720119 996248533 /nfs/dbraw/zinc/24/85/33/996248533.db2.gz LLBANVLLYCDNPU-TWMKSMIVSA-N -1 3 399.491 3.724 20 0 GHADHM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])C(C)(C)CN1Cc1ccccc1 ZINC001593929081 996885524 /nfs/dbraw/zinc/88/55/24/996885524.db2.gz JBBNKECCXVWSJN-UHFFFAOYSA-N -1 3 394.515 3.829 20 0 GHADHM COc1cc(C)ccc1CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599393861 997088487 /nfs/dbraw/zinc/08/84/87/997088487.db2.gz WPSHPLHYQJDQMJ-GOSISDBHSA-N -1 3 378.266 3.856 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccnc(N2CCCCCC2)c1 ZINC000468838456 1016094137 /nfs/dbraw/zinc/09/41/37/1016094137.db2.gz FLRRVFDEXPOMSN-UHFFFAOYSA-N -1 3 385.483 3.946 20 0 GHADHM COc1cc(CN(CCOc2ccc(C(=O)[O-])cc2Cl)C2CC2)ccc1O ZINC001599406980 997328003 /nfs/dbraw/zinc/32/80/03/997328003.db2.gz RJLQSKSRJLXHPJ-UHFFFAOYSA-N -1 3 391.851 3.796 20 0 GHADHM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1C ZINC001598933184 997809776 /nfs/dbraw/zinc/80/97/76/997809776.db2.gz XKQGKYTWKXNHDT-MRXNPFEDSA-N -1 3 381.350 3.716 20 0 GHADHM C[C@]1(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCCc2ccccc21 ZINC001594060430 997835857 /nfs/dbraw/zinc/83/58/57/997835857.db2.gz MCWYVLRSBZUWSS-NRFANRHFSA-N -1 3 384.501 3.715 20 0 GHADHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)cc1F ZINC001599559286 998158373 /nfs/dbraw/zinc/15/83/73/998158373.db2.gz VCCIQKHHIJRKKX-INIZCTEOSA-N -1 3 382.229 3.855 20 0 GHADHM COC(=O)c1cc2cc(CN[C@](C)(CC(=O)[O-])c3cccc(OC)c3)ccc2o1 ZINC001598958204 998283321 /nfs/dbraw/zinc/28/33/21/998283321.db2.gz VVOZSDQRMKUOLR-JOCHJYFZSA-N -1 3 397.427 3.708 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001599582070 998548187 /nfs/dbraw/zinc/54/81/87/998548187.db2.gz GFOXIDDSIWRPLO-QFIPXVFZSA-N -1 3 395.434 3.771 20 0 GHADHM COC(=O)c1cccc([C@@H](N[C@H]2CCCc3sc(Cl)cc32)C(=O)[O-])c1 ZINC001598998553 998802947 /nfs/dbraw/zinc/80/29/47/998802947.db2.gz QIKIQJQCDQRLEL-XJKSGUPXSA-N -1 3 379.865 3.981 20 0 GHADHM CC1CCC(N(C(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C2CC2)CC1 ZINC001594306325 999182786 /nfs/dbraw/zinc/18/27/86/999182786.db2.gz DYRSDKWKSQVWDW-IAYYMHMVSA-N -1 3 386.536 3.998 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cc(C(=O)[O-])cs2)[C@@H]1C ZINC001594309579 999194952 /nfs/dbraw/zinc/19/49/52/999194952.db2.gz XURLSXRHVYJGNB-NFAWXSAZSA-N -1 3 382.526 3.960 20 0 GHADHM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)CCCc3ccc([O-])c(F)c3)nnc1-2 ZINC000469385981 1016562485 /nfs/dbraw/zinc/56/24/85/1016562485.db2.gz KMQJBASOCPVVMQ-UHFFFAOYSA-N -1 3 393.422 3.770 20 0 GHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000546727084 1016725669 /nfs/dbraw/zinc/72/56/69/1016725669.db2.gz MMNLOXQEOUDQEM-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2CCC1=O ZINC000546781700 1016743633 /nfs/dbraw/zinc/74/36/33/1016743633.db2.gz XJXMPEZQGSRICD-UHFFFAOYSA-N -1 3 386.517 3.985 20 0 GHADHM COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001154571645 1032189037 /nfs/dbraw/zinc/18/90/37/1032189037.db2.gz UKKMEQMOPKKXRE-LJQANCHMSA-N -1 3 389.407 3.806 20 0 GHADHM COc1cc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)c(C)cc1Br ZINC001155186497 1032450043 /nfs/dbraw/zinc/45/00/43/1032450043.db2.gz MLRPFVVBINLDNV-UHFFFAOYSA-N -1 3 395.644 3.943 20 0 GHADHM COc1cc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)c(C)cc1Br ZINC001155186497 1032450050 /nfs/dbraw/zinc/45/00/50/1032450050.db2.gz MLRPFVVBINLDNV-UHFFFAOYSA-N -1 3 395.644 3.943 20 0 GHADHM COc1cc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)c(C)cc1Br ZINC001155186497 1032450055 /nfs/dbraw/zinc/45/00/55/1032450055.db2.gz MLRPFVVBINLDNV-UHFFFAOYSA-N -1 3 395.644 3.943 20 0 GHADHM Cc1c(C)c(C(=O)Nc2nnc(CC(=O)c3ccccc3)[n-]2)nc2ccccc12 ZINC001155209250 1032458557 /nfs/dbraw/zinc/45/85/57/1032458557.db2.gz SNUPYEIYLMNISB-UHFFFAOYSA-N -1 3 385.427 3.647 20 0 GHADHM Cc1c(C)c(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)nc2ccccc12 ZINC001155209250 1032458562 /nfs/dbraw/zinc/45/85/62/1032458562.db2.gz SNUPYEIYLMNISB-UHFFFAOYSA-N -1 3 385.427 3.647 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)[C@H](F)C1 ZINC001227585904 1032473989 /nfs/dbraw/zinc/47/39/89/1032473989.db2.gz GUTBZGIGISWQBS-GHMZBOCLSA-N -1 3 380.338 3.532 20 0 GHADHM C[C@@H]1[C@H](Oc2c([O-])cc(Br)cc2F)CN1C(=O)OC(C)(C)C ZINC001227590733 1032475592 /nfs/dbraw/zinc/47/55/92/1032475592.db2.gz KPQFLQXOHOPWDN-PRHODGIISA-N -1 3 376.222 3.680 20 0 GHADHM CCOC(=O)c1ccc2[n-]c(O[C@H](C(=O)N(CC)CC)c3ccccc3)nc2c1 ZINC001227702431 1032523187 /nfs/dbraw/zinc/52/31/87/1032523187.db2.gz RZVJGBIYSKAQRL-IBGZPJMESA-N -1 3 395.459 3.728 20 0 GHADHM Cc1cccc([C@@H](c2noc(-c3cncc([N-]S(C)(=O)=O)c3)n2)C(C)C)c1 ZINC000558392376 1017191936 /nfs/dbraw/zinc/19/19/36/1017191936.db2.gz BAHLXEOCWFJAGC-KRWDZBQOSA-N -1 3 386.477 3.599 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000558478840 1017208343 /nfs/dbraw/zinc/20/83/43/1017208343.db2.gz RSYQLEBQAZRATA-AWEZNQCLSA-N -1 3 381.505 3.503 20 0 GHADHM COc1ccc(C(Oc2[n-]c(=O)nc3cccnc32)c2ccc(OC)cc2)cc1 ZINC001228007127 1032735349 /nfs/dbraw/zinc/73/53/49/1032735349.db2.gz JGFVKTUVAKRRRD-UHFFFAOYSA-N -1 3 389.411 3.916 20 0 GHADHM Cc1onc(C2CC2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000562656895 1018497041 /nfs/dbraw/zinc/49/70/41/1018497041.db2.gz YBROAKLKXJCQIO-UHFFFAOYSA-N -1 3 388.225 3.660 20 0 GHADHM COCC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000568228734 1019383156 /nfs/dbraw/zinc/38/31/56/1019383156.db2.gz IHSDKMHJURANOR-CQSZACIVSA-N -1 3 395.381 3.586 20 0 GHADHM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000634849944 1020959498 /nfs/dbraw/zinc/95/94/98/1020959498.db2.gz NRIYUEQQGJLVNK-REWPJTCUSA-N -1 3 386.536 3.676 20 0 GHADHM CC[C@@](CC(=O)[O-])(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1ccc(C)cc1 ZINC000634822294 1020959529 /nfs/dbraw/zinc/95/95/29/1020959529.db2.gz SHQRBNHFTMUWRC-DVECYGJZSA-N -1 3 396.531 3.754 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000800834753 1021340908 /nfs/dbraw/zinc/34/09/08/1021340908.db2.gz TWHBOVITAUMFCJ-UHFFFAOYSA-N -1 3 383.347 3.921 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000834653334 1021345654 /nfs/dbraw/zinc/34/56/54/1021345654.db2.gz BBJUUVKWHDSADW-MOXGXCLJSA-N -1 3 398.528 3.654 20 0 GHADHM O=S(=O)([N-]C1(C(F)(F)F)CCC(F)(F)CC1)c1ccc2c(c1)COC2 ZINC000903679483 1021625620 /nfs/dbraw/zinc/62/56/20/1021625620.db2.gz FJMXZFRMFQVRAB-UHFFFAOYSA-N -1 3 385.354 3.506 20 0 GHADHM COc1cc(CN2CC3(C[C@H]2C)CCOCC3)c(Br)cc1C(=O)[O-] ZINC000903895750 1021648839 /nfs/dbraw/zinc/64/88/39/1021648839.db2.gz KNJCZPJGPDNZMW-GFCCVEGCSA-N -1 3 398.297 3.547 20 0 GHADHM C[C@@H](COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(F)(F)F ZINC000748253986 1021678730 /nfs/dbraw/zinc/67/87/30/1021678730.db2.gz ZLIBNCHWEFLEJE-GUYCJALGSA-N -1 3 395.377 3.995 20 0 GHADHM O=C([O-])c1ccccc1CN1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001140502346 1021883502 /nfs/dbraw/zinc/88/35/02/1021883502.db2.gz FWWYCELTOBTMLU-NYTJIUQPSA-N -1 3 382.435 3.621 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1Br ZINC001140547081 1021948370 /nfs/dbraw/zinc/94/83/70/1021948370.db2.gz HTMAOZUTBNAHLR-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM Cc1ccc(CN2CCN(Cc3cccc([O-])c3Br)CC2)cc1 ZINC001140548650 1021949704 /nfs/dbraw/zinc/94/97/04/1021949704.db2.gz RTTMGZXMMVVRKA-UHFFFAOYSA-N -1 3 375.310 3.781 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC001228628208 1033018738 /nfs/dbraw/zinc/01/87/38/1033018738.db2.gz JNSDAQFFZFUEGR-HIFRSBDPSA-N -1 3 393.411 3.533 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1ccc(F)cc1C(F)(F)F ZINC000680106874 1022094068 /nfs/dbraw/zinc/09/40/68/1022094068.db2.gz KQFMWZUWZPYKMW-NSHDSACASA-N -1 3 397.296 3.535 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(C)c3O)cs2)c1 ZINC000680638931 1022192709 /nfs/dbraw/zinc/19/27/09/1022192709.db2.gz FJELANSCRQQKIT-UHFFFAOYSA-N -1 3 397.456 3.605 20 0 GHADHM COc1cc(-c2nc(Cc3nc4cc(F)ccc4s3)no2)cc(OC)c1[O-] ZINC000681607606 1022312619 /nfs/dbraw/zinc/31/26/19/1022312619.db2.gz VIWQITIFTMOHFK-UHFFFAOYSA-N -1 3 387.392 3.799 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1OCc1ccc(OC(C)C)c(Cl)c1 ZINC001228717467 1033062011 /nfs/dbraw/zinc/06/20/11/1033062011.db2.gz ZJRXBUXIDQBIKM-UHFFFAOYSA-N -1 3 396.896 3.891 20 0 GHADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc2c1O[C@@H](C)C2 ZINC000754439501 1022708240 /nfs/dbraw/zinc/70/82/40/1022708240.db2.gz CCZJIEIWFSLWGS-VIFPVBQESA-N -1 3 378.222 3.739 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)[N-]OCc2ccc(F)cc2)CC1 ZINC000754714382 1022851743 /nfs/dbraw/zinc/85/17/43/1022851743.db2.gz ZBMVFXJGHVKOPJ-UHFFFAOYSA-N -1 3 380.460 3.801 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000836381064 1022930015 /nfs/dbraw/zinc/93/00/15/1022930015.db2.gz BCJRBVBVIBTESN-UHFFFAOYSA-N -1 3 384.301 3.736 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000836381064 1022930017 /nfs/dbraw/zinc/93/00/17/1022930017.db2.gz BCJRBVBVIBTESN-UHFFFAOYSA-N -1 3 384.301 3.736 20 0 GHADHM CCCc1c(NC([O-])=NOC(C)(C)C(=O)OCC)cnn1-c1cccc(C)c1 ZINC000836564255 1023123162 /nfs/dbraw/zinc/12/31/62/1023123162.db2.gz HFRFIRAVZUVFMM-UHFFFAOYSA-N -1 3 388.468 3.528 20 0 GHADHM CCCc1c(NC(=O)[N-]OC(C)(C)C(=O)OCC)cnn1-c1cccc(C)c1 ZINC000836564255 1023123175 /nfs/dbraw/zinc/12/31/75/1023123175.db2.gz HFRFIRAVZUVFMM-UHFFFAOYSA-N -1 3 388.468 3.528 20 0 GHADHM O=C1CCc2cc([O-])c(O[C@H]3CCN(c4ccc(Br)cc4)C3)cc21 ZINC001228853349 1033137306 /nfs/dbraw/zinc/13/73/06/1033137306.db2.gz HYCNICJXNAKUJL-HNNXBMFYSA-N -1 3 388.261 3.941 20 0 GHADHM O=C([N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)c1nccs1 ZINC000756546032 1023707807 /nfs/dbraw/zinc/70/78/07/1023707807.db2.gz XKQBAMYAIBIADE-SNVBAGLBSA-N -1 3 392.258 3.937 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000756786425 1023814730 /nfs/dbraw/zinc/81/47/30/1023814730.db2.gz CIAFXYRBWKUKKA-QFYYESIMSA-N -1 3 387.785 3.818 20 0 GHADHM Cn1ccnc1C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757035708 1023914362 /nfs/dbraw/zinc/91/43/62/1023914362.db2.gz SVYYLYNJHBHIAI-MRXNPFEDSA-N -1 3 391.368 3.890 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC)[C@@H](O)c1c(F)cccc1F ZINC000830598126 1024007424 /nfs/dbraw/zinc/00/74/24/1024007424.db2.gz DWQSBIMJPKKCEU-RHSMWYFYSA-N -1 3 385.357 3.694 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc([O-])c(F)c3F)C[C@H]21 ZINC001204953051 1033182776 /nfs/dbraw/zinc/18/27/76/1033182776.db2.gz SKEREXGVBCBAKM-NWANDNLSSA-N -1 3 382.451 3.796 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC3(CC2)OCCc2ccccc23)c2ccccc21 ZINC001138194513 1024341444 /nfs/dbraw/zinc/34/14/44/1024341444.db2.gz QYSJHZYBYGDPAN-UHFFFAOYSA-N -1 3 390.483 3.790 20 0 GHADHM Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000831256003 1024456126 /nfs/dbraw/zinc/45/61/26/1024456126.db2.gz FRJHZROSZCAWJN-UHFFFAOYSA-N -1 3 394.269 3.572 20 0 GHADHM CC(C)(C)c1cnc(CCC(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)o1 ZINC000837685795 1024633500 /nfs/dbraw/zinc/63/35/00/1024633500.db2.gz WJEHMKLVRHOCHI-UHFFFAOYSA-N -1 3 381.432 3.811 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cn3cc4ccccc4n3)nc(=O)c2c1C ZINC000837968749 1024851985 /nfs/dbraw/zinc/85/19/85/1024851985.db2.gz ZNOQZFGWIQCNHV-LLVKDONJSA-N -1 3 382.445 3.668 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)[C@@H]1Oc1ccccc1 ZINC001138692788 1025219409 /nfs/dbraw/zinc/21/94/09/1025219409.db2.gz MZLCXFGCUCSBGI-KSZLIROESA-N -1 3 397.368 3.798 20 0 GHADHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096365 1033275823 /nfs/dbraw/zinc/27/58/23/1033275823.db2.gz CJSKQRXKJDGPDS-TZMCWYRMSA-N -1 3 393.281 3.860 20 0 GHADHM [O-]c1cccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1Br ZINC000838841555 1025391306 /nfs/dbraw/zinc/39/13/06/1025391306.db2.gz FPXXVYIGLSKRIQ-QGZVFWFLSA-N -1 3 380.257 3.992 20 0 GHADHM CCOc1cc(CN2CCN(Cc3ccc(Cl)nc3)CC2)cc(Cl)c1[O-] ZINC000838843129 1025392604 /nfs/dbraw/zinc/39/26/04/1025392604.db2.gz ZSTWENUDZIKBHR-UHFFFAOYSA-N -1 3 396.318 3.811 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 ZINC001138924941 1025591264 /nfs/dbraw/zinc/59/12/64/1025591264.db2.gz KHTBKOAFIDAYSW-NFBKMPQASA-N -1 3 381.472 3.689 20 0 GHADHM Cc1ncc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c(=O)[n-]1 ZINC001162301827 1025706407 /nfs/dbraw/zinc/70/64/07/1025706407.db2.gz CZGVDZSYNVKYKH-IBGZPJMESA-N -1 3 394.438 3.897 20 0 GHADHM Cc1ncc(Nc2nc(-c3ccccc3F)nc3ccc(Cl)cc32)c(=O)[n-]1 ZINC001162298883 1025706802 /nfs/dbraw/zinc/70/68/02/1025706802.db2.gz XWJDZBQEPWVFDV-INIZCTEOSA-N -1 3 381.798 3.899 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)C[C@H]1C ZINC001461026578 1069345225 /nfs/dbraw/zinc/34/52/25/1069345225.db2.gz MWAXCAVFHGHNHQ-VDERGJSUSA-N -1 3 382.426 3.695 20 0 GHADHM Cc1cccc2sc(NCC[N-]S(=O)(=O)c3ccc(Cl)s3)nc21 ZINC001162867051 1025946342 /nfs/dbraw/zinc/94/63/42/1025946342.db2.gz FNGBBPQZQCMNMX-UHFFFAOYSA-N -1 3 387.939 3.710 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885082 1025953237 /nfs/dbraw/zinc/95/32/37/1025953237.db2.gz DDXSRNWCWVWORI-UHFFFAOYSA-N -1 3 395.406 3.883 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885082 1025953238 /nfs/dbraw/zinc/95/32/38/1025953238.db2.gz DDXSRNWCWVWORI-UHFFFAOYSA-N -1 3 395.406 3.883 20 0 GHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001141629758 1025957865 /nfs/dbraw/zinc/95/78/65/1025957865.db2.gz PYVZAOUNVAUATC-UHFFFAOYSA-N -1 3 398.459 3.876 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC001139357462 1026228902 /nfs/dbraw/zinc/22/89/02/1026228902.db2.gz ZKYAQZIGORXAGK-NSHDSACASA-N -1 3 389.249 3.770 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1c(Br)ccc(C(F)(F)F)c1F ZINC001164394943 1026505766 /nfs/dbraw/zinc/50/57/66/1026505766.db2.gz IEWJYXAJIURPDM-ZETCQYMHSA-N -1 3 382.155 3.531 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC(C)C)c(F)c1)OCC ZINC001209997213 1027306833 /nfs/dbraw/zinc/30/68/33/1027306833.db2.gz UYAGOGZYTLIGQT-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1cccc(Cl)c1 ZINC001210131108 1027352249 /nfs/dbraw/zinc/35/22/49/1027352249.db2.gz LJWDUPUMNITWHI-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)Cc1cccs1 ZINC001210328905 1027451774 /nfs/dbraw/zinc/45/17/74/1027451774.db2.gz TUJXTKHCPITCGR-SNVBAGLBSA-N -1 3 392.315 3.807 20 0 GHADHM COC(=O)[C@@H](C)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001142062233 1027994532 /nfs/dbraw/zinc/99/45/32/1027994532.db2.gz DHTGCKISGRCJFA-NSHDSACASA-N -1 3 384.819 3.710 20 0 GHADHM O=C1N(c2cccnc2)CC[C@]12CCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142108742 1028127296 /nfs/dbraw/zinc/12/72/96/1028127296.db2.gz BEWMPQQXRKBEQP-IBGZPJMESA-N -1 3 392.286 3.723 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c(Cl)c1 ZINC001142109305 1028129767 /nfs/dbraw/zinc/12/97/67/1028129767.db2.gz LDRVTGYSLVYQIL-LJQANCHMSA-N -1 3 393.318 3.982 20 0 GHADHM [O-]c1c(F)cc(Nc2ncc(Br)nc2Br)cc1F ZINC001213371359 1028138018 /nfs/dbraw/zinc/13/80/18/1028138018.db2.gz ZLXIVANUIDITJE-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM O=C(NCc1ccco1)C12CC(C1)CN2Cc1c(Cl)cc([O-])cc1Cl ZINC001142111805 1028142166 /nfs/dbraw/zinc/14/21/66/1028142166.db2.gz ZDOIUQJODLRRGQ-UHFFFAOYSA-N -1 3 381.259 3.573 20 0 GHADHM CCO[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)[C@H]1Cc1cnn(C)c1 ZINC001142111719 1028142259 /nfs/dbraw/zinc/14/22/59/1028142259.db2.gz WSBALBKVKDAGSC-ROUUACIJSA-N -1 3 384.307 3.655 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(Cc2ccccc2)C(C)C)c(F)c1 ZINC001213390795 1028157004 /nfs/dbraw/zinc/15/70/04/1028157004.db2.gz BRPVXIVNQMEWJK-HXUWFJFHSA-N -1 3 393.480 3.548 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@H]1F)c1ccc(Cl)c(Cl)c1 ZINC001213677480 1028324146 /nfs/dbraw/zinc/32/41/46/1028324146.db2.gz NQLQIXKEQMARKE-UKRRQHHQSA-N -1 3 376.236 3.744 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001213714421 1028345967 /nfs/dbraw/zinc/34/59/67/1028345967.db2.gz KBVMBARUXUFJRQ-UHFFFAOYSA-N -1 3 393.921 3.954 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(OC)c3Br)no2)[n-]1 ZINC001213977239 1028485382 /nfs/dbraw/zinc/48/53/82/1028485382.db2.gz SHXDPFPMQZSUJD-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM O=C(CCCn1c(=O)[nH]c2ccccc21)Nc1cc(Br)ccc1[O-] ZINC001142459870 1028963724 /nfs/dbraw/zinc/96/37/24/1028963724.db2.gz UUCRPLFAVBQBFL-UHFFFAOYSA-N -1 3 390.237 3.629 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nc4c(s3)CCC4)nc(=O)c2c1C ZINC000842143892 1029099296 /nfs/dbraw/zinc/09/92/96/1029099296.db2.gz GWNIOCQMFWBMPF-QMMMGPOBSA-N -1 3 375.475 3.877 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cccc(-n3cc(Br)cn3)c2)no1 ZINC001215302049 1029139150 /nfs/dbraw/zinc/13/91/50/1029139150.db2.gz PDVADHQSVPHQHN-UHFFFAOYSA-N -1 3 399.204 3.763 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2ccc(F)cc2I)no1 ZINC001215302359 1029140911 /nfs/dbraw/zinc/14/09/11/1029140911.db2.gz YFMUPUZTYYNVHA-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CN1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4[O-])n3)c2)CC1 ZINC001215343147 1029163145 /nfs/dbraw/zinc/16/31/45/1029163145.db2.gz NBDRRQZPUQXDSW-UHFFFAOYSA-N -1 3 384.867 3.510 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142660215 1029221120 /nfs/dbraw/zinc/22/11/20/1029221120.db2.gz JMMQKAMHYPPSKX-XOIINTDNSA-N -1 3 394.899 3.773 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142660381 1029221173 /nfs/dbraw/zinc/22/11/73/1029221173.db2.gz QAEDQSNHEUPQDD-HNNXBMFYSA-N -1 3 382.888 3.917 20 0 GHADHM COc1ccc(N(C)C(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1OC ZINC001142739270 1029369367 /nfs/dbraw/zinc/36/93/67/1029369367.db2.gz FHLOACONQICFBU-UHFFFAOYSA-N -1 3 394.427 3.666 20 0 GHADHM CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276735880 1029557229 /nfs/dbraw/zinc/55/72/29/1029557229.db2.gz MEFBQAPMPXUWGU-HXUWFJFHSA-N -1 3 380.916 3.811 20 0 GHADHM Cc1cccc([O-])c1-c1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1 ZINC001216536105 1029674467 /nfs/dbraw/zinc/67/44/67/1029674467.db2.gz BYXSXPFWVONPHO-UHFFFAOYSA-N -1 3 384.335 3.711 20 0 GHADHM CCOC(OCC)c1ccc(F)c(-c2noc(-c3c([O-])cc(O)cc3O)n2)c1 ZINC001216727226 1029907633 /nfs/dbraw/zinc/90/76/33/1029907633.db2.gz VKIVFSPENSZKIZ-UHFFFAOYSA-N -1 3 390.367 3.731 20 0 GHADHM CC(=O)c1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)c(Br)c1 ZINC001216736617 1029911288 /nfs/dbraw/zinc/91/12/88/1029911288.db2.gz FIUPIMSZYMPKRO-UHFFFAOYSA-N -1 3 375.178 3.780 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(I)c(F)c2)no1 ZINC001216735404 1029911505 /nfs/dbraw/zinc/91/15/05/1029911505.db2.gz IVHAZLWVSRQXCN-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cccc4c3CCCC4)no2)c1C ZINC001216961123 1030034463 /nfs/dbraw/zinc/03/44/63/1030034463.db2.gz AYIUMGKFPHFNSW-UHFFFAOYSA-N -1 3 375.428 3.867 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ccccc2CN2CCCC2=O)c1[O-] ZINC001149195963 1030087412 /nfs/dbraw/zinc/08/74/12/1030087412.db2.gz DCOZSAFFNAOQSB-UHFFFAOYSA-N -1 3 375.428 3.624 20 0 GHADHM Cc1cc(F)cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c1F ZINC001217017917 1030093156 /nfs/dbraw/zinc/09/31/56/1030093156.db2.gz HOAPVEBTATZOJI-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM O=C(NC[C@H](O)c1cc2ccccc2s1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001149600381 1030239231 /nfs/dbraw/zinc/23/92/31/1030239231.db2.gz NRQXOAFKIROLDL-HNNXBMFYSA-N -1 3 398.871 3.860 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(F)c(C(F)(F)F)c3)no2)C1=O ZINC001217354256 1030329696 /nfs/dbraw/zinc/32/96/96/1030329696.db2.gz BEZMMQPBABGUMW-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM COc1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc1C(F)(F)F ZINC001217354574 1030330857 /nfs/dbraw/zinc/33/08/57/1030330857.db2.gz HBEFPQHMGWQBLR-UHFFFAOYSA-N -1 3 389.289 3.566 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cccnc3OC3CCCCC3)no2)C1=O ZINC001217354311 1030331151 /nfs/dbraw/zinc/33/11/51/1030331151.db2.gz DTMPIQYTGXDOQI-UHFFFAOYSA-N -1 3 390.399 3.645 20 0 GHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc1 ZINC001217355912 1030333212 /nfs/dbraw/zinc/33/32/12/1030333212.db2.gz ZYROVGIVXOSPQF-UHFFFAOYSA-N -1 3 395.374 3.769 20 0 GHADHM COc1cnc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c(Br)c1 ZINC001217442469 1030395535 /nfs/dbraw/zinc/39/55/35/1030395535.db2.gz ZOZAEVHWEIXZHO-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM CCOC(=O)c1cc2c(c(-c3nc(-c4ccnc(C)c4)no3)c1[O-])CCCC2 ZINC001217448009 1030401975 /nfs/dbraw/zinc/40/19/75/1030401975.db2.gz ZCQHSOZWBGSGFL-UHFFFAOYSA-N -1 3 379.416 3.868 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2ccccc2OC(C)C)no1 ZINC001217471094 1030419014 /nfs/dbraw/zinc/41/90/14/1030419014.db2.gz LINVWYWSDJJABF-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4ccccc4OC(C)C)no3)n[n-]c21 ZINC001217471094 1030419026 /nfs/dbraw/zinc/41/90/26/1030419026.db2.gz LINVWYWSDJJABF-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cccc(OC)c4OC)no3)c2c1 ZINC001217498895 1030442619 /nfs/dbraw/zinc/44/26/19/1030442619.db2.gz AGYOVNJXSJCHSS-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H](C)c3cccnc3F)nc21 ZINC001223402540 1030556802 /nfs/dbraw/zinc/55/68/02/1030556802.db2.gz DYSQKAFQBUCSTL-XLFHBGCDSA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H](C)c3cccnc3F)[n-]c21 ZINC001223402540 1030556809 /nfs/dbraw/zinc/55/68/09/1030556809.db2.gz DYSQKAFQBUCSTL-XLFHBGCDSA-N -1 3 381.766 3.980 20 0 GHADHM CCCc1occc1C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001151231783 1030815641 /nfs/dbraw/zinc/81/56/41/1030815641.db2.gz QXHYQDOLESRFSW-UHFFFAOYSA-N -1 3 382.420 3.777 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3cccc(Br)c3s2)[n-]n1 ZINC001151353130 1030871491 /nfs/dbraw/zinc/87/14/91/1030871491.db2.gz FSCMLDLKHOXZNH-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc3cccc(Br)c3s2)n[n-]1 ZINC001151353130 1030871504 /nfs/dbraw/zinc/87/15/04/1030871504.db2.gz FSCMLDLKHOXZNH-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccnc(OC(F)(F)F)c1 ZINC001151367264 1030881414 /nfs/dbraw/zinc/88/14/14/1030881414.db2.gz WFJGPBBDKNVQCK-UHFFFAOYSA-N -1 3 393.321 3.891 20 0 GHADHM O=C(Nc1cc(-c2ccccn2)no1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821328 1031019462 /nfs/dbraw/zinc/01/94/62/1031019462.db2.gz KHSCGGNUGANXFF-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1cc(-c2ccccn2)no1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821328 1031019479 /nfs/dbraw/zinc/01/94/79/1031019479.db2.gz KHSCGGNUGANXFF-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM CC1(c2ccc(NC(=O)c3nc4cc(Br)ccc4[n-]3)cc2)COC1 ZINC001151827052 1031022192 /nfs/dbraw/zinc/02/21/92/1031022192.db2.gz UEUXNVSENYZPRX-UHFFFAOYSA-N -1 3 386.249 3.866 20 0 GHADHM CC1(c2ccc(NC(=O)c3nc4ccc(Br)cc4[n-]3)cc2)COC1 ZINC001151827052 1031022209 /nfs/dbraw/zinc/02/22/09/1031022209.db2.gz UEUXNVSENYZPRX-UHFFFAOYSA-N -1 3 386.249 3.866 20 0 GHADHM O=C(Nc1ccc2oc(=O)ccc2c1)c1nc2cc(Br)ccc2[n-]1 ZINC001151826888 1031024053 /nfs/dbraw/zinc/02/40/53/1031024053.db2.gz PXCNOBBHZWOGMX-UHFFFAOYSA-N -1 3 384.189 3.684 20 0 GHADHM O=C(Nc1ccc2oc(=O)ccc2c1)c1nc2ccc(Br)cc2[n-]1 ZINC001151826888 1031024071 /nfs/dbraw/zinc/02/40/71/1031024071.db2.gz PXCNOBBHZWOGMX-UHFFFAOYSA-N -1 3 384.189 3.684 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1cc(C(F)(F)F)c2ccccc2n1 ZINC001152142677 1031119147 /nfs/dbraw/zinc/11/91/47/1031119147.db2.gz GIWZPCSBUVWGEB-UHFFFAOYSA-N -1 3 379.294 3.589 20 0 GHADHM CC(C)(NC(=O)c1cccc2c1[N-]C(=O)C2=O)c1ccc(C(F)(F)F)cc1 ZINC001152459208 1031249689 /nfs/dbraw/zinc/24/96/89/1031249689.db2.gz CARWGURFOXEQMB-UHFFFAOYSA-N -1 3 376.334 3.505 20 0 GHADHM O=C([N-][C@@H]1CC(=O)c2ccccc21)C(F)(F)c1ccccc1Br ZINC001152690129 1031327663 /nfs/dbraw/zinc/32/76/63/1031327663.db2.gz UMZDZSJFRBOTHH-CQSZACIVSA-N -1 3 380.188 3.985 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2)cc1)c1cnccc1Cl ZINC000311378038 1031340356 /nfs/dbraw/zinc/34/03/56/1031340356.db2.gz ALBKNZYQTDAGCM-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c2ccccc2nnc1-c1ccccc1 ZINC001152786456 1031353742 /nfs/dbraw/zinc/35/37/42/1031353742.db2.gz YKJMAWPVWOITCZ-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c2ccccc2nnc1-c1ccccc1 ZINC001152786456 1031353754 /nfs/dbraw/zinc/35/37/54/1031353754.db2.gz YKJMAWPVWOITCZ-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc3c2OCCCO3)s1 ZINC001152803106 1031361401 /nfs/dbraw/zinc/36/14/01/1031361401.db2.gz HHDMGJNJBDSXQH-UHFFFAOYSA-N -1 3 391.449 3.904 20 0 GHADHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001225580242 1031488717 /nfs/dbraw/zinc/48/87/17/1031488717.db2.gz VFLIZVPGRFQIQF-JTQLQIEISA-N -1 3 391.390 3.615 20 0 GHADHM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001153473718 1031607016 /nfs/dbraw/zinc/60/70/16/1031607016.db2.gz QMWHSMWEGBZOKT-SNVBAGLBSA-N -1 3 387.274 3.739 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877893 1031788485 /nfs/dbraw/zinc/78/84/85/1031788485.db2.gz IPCVCCWGWHNQLB-RYUDHWBXSA-N -1 3 377.282 3.847 20 0 GHADHM C/C=C/C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OCC ZINC001153950129 1031833589 /nfs/dbraw/zinc/83/35/89/1031833589.db2.gz JSKVSRBLTMGWQK-LQPUYASZSA-N -1 3 390.224 3.555 20 0 GHADHM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154114288 1031934235 /nfs/dbraw/zinc/93/42/35/1031934235.db2.gz BJYZQJHKOZAPLT-FQEVSTJZSA-N -1 3 392.455 3.660 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)NCc3nc(-c4ccccc4)cs3)[n-]c2c1 ZINC001154120851 1031938358 /nfs/dbraw/zinc/93/83/58/1031938358.db2.gz XSYYOCMRXDVLDS-UHFFFAOYSA-N -1 3 391.452 3.590 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CNCc1cccc([O-])c1Br)C1CC1 ZINC000315316884 1031948705 /nfs/dbraw/zinc/94/87/05/1031948705.db2.gz HDIPHJNYHRCMRW-CYBMUJFWSA-N -1 3 385.302 3.548 20 0 GHADHM COc1cccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1[O-] ZINC001154213656 1031988636 /nfs/dbraw/zinc/98/86/36/1031988636.db2.gz BUMPOTBXZLFRAU-CQSZACIVSA-N -1 3 381.457 3.973 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C[C@@H](C(=O)OCc4ccccc4)C3)cc12 ZINC001226539497 1032003683 /nfs/dbraw/zinc/00/36/83/1032003683.db2.gz ZLYBIZDGZMFNOV-IYBDPMFKSA-N -1 3 380.396 3.708 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226594762 1032031155 /nfs/dbraw/zinc/03/11/55/1032031155.db2.gz APHUICMSFQTLLC-QVKFZJNVSA-N -1 3 387.432 3.667 20 0 GHADHM C[C@@H]1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CN1C(=O)OC(C)(C)C ZINC001226598499 1032034285 /nfs/dbraw/zinc/03/42/85/1032034285.db2.gz CRQZSNBCEYVXGZ-OCCSQVGLSA-N -1 3 375.421 3.665 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2cc(F)c(Br)cc2C1 ZINC001156912546 1033315195 /nfs/dbraw/zinc/31/51/95/1033315195.db2.gz YPHCWOMSLILEND-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM CCOC(=O)[C@H]1C[C@@H](Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229266445 1033378566 /nfs/dbraw/zinc/37/85/66/1033378566.db2.gz CEWZBWFZSDHMCB-GASCZTMLSA-N -1 3 380.396 3.886 20 0 GHADHM COC(=O)[C@@H]1CCC[C@@H]1Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267678 1033380086 /nfs/dbraw/zinc/38/00/86/1033380086.db2.gz PLWGRVILWBODFD-KDOFPFPSSA-N -1 3 380.396 3.886 20 0 GHADHM C[C@@H](NC(=O)C1=C(c2ccccc2)CCCC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001157222209 1033478607 /nfs/dbraw/zinc/47/86/07/1033478607.db2.gz MASUVMLVBYQIFB-HZPDHXFCSA-N -1 3 393.487 3.894 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001157223141 1033480809 /nfs/dbraw/zinc/48/08/09/1033480809.db2.gz UTFOOQXLUXSHLL-ZMSDIMECSA-N -1 3 375.513 3.863 20 0 GHADHM CC1(CNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC001229461760 1033495705 /nfs/dbraw/zinc/49/57/05/1033495705.db2.gz XVMFDQVXJFTQKN-CYBMUJFWSA-N -1 3 383.414 3.559 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)[N-]c2cccc3nonc32)co1 ZINC001157466227 1033605908 /nfs/dbraw/zinc/60/59/08/1033605908.db2.gz BCJILSZMEYBYOL-AWEZNQCLSA-N -1 3 399.407 3.535 20 0 GHADHM Cc1ccc(Cl)cc1-c1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC001206060288 1033703501 /nfs/dbraw/zinc/70/35/01/1033703501.db2.gz OOCGZIAQRZUOQK-ZDUSSCGKSA-N -1 3 391.880 3.879 20 0 GHADHM COC(=O)c1cnc(=O)[n-]c1O[C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001229869967 1033763110 /nfs/dbraw/zinc/76/31/10/1033763110.db2.gz DCTVGAXBPMACEM-ZDUSSCGKSA-N -1 3 382.416 3.531 20 0 GHADHM Clc1ccc(CN2CC[C@H](Oc3ccccc3-c3nnn[n-]3)C2)cc1Cl ZINC001229950159 1033811939 /nfs/dbraw/zinc/81/19/39/1033811939.db2.gz IFRKUVLEODUCIN-ZDUSSCGKSA-N -1 3 390.274 3.827 20 0 GHADHM Clc1ccc(CN2CC[C@H](Oc3ccccc3-c3nn[n-]n3)C2)cc1Cl ZINC001229950159 1033811957 /nfs/dbraw/zinc/81/19/57/1033811957.db2.gz IFRKUVLEODUCIN-ZDUSSCGKSA-N -1 3 390.274 3.827 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2ccccc2-c2nnn[n-]2)C(F)(F)F)c1 ZINC001229954726 1033814832 /nfs/dbraw/zinc/81/48/32/1033814832.db2.gz NUNAQVDDEFCENQ-HNNXBMFYSA-N -1 3 392.337 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@H](Oc2ccccc2-c2nn[n-]n2)C(F)(F)F)c1 ZINC001229954726 1033814847 /nfs/dbraw/zinc/81/48/47/1033814847.db2.gz NUNAQVDDEFCENQ-HNNXBMFYSA-N -1 3 392.337 3.726 20 0 GHADHM O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001158177681 1033954672 /nfs/dbraw/zinc/95/46/72/1033954672.db2.gz HWZIAMRVJYMJLR-CYBMUJFWSA-N -1 3 394.299 3.641 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158346504 1034035946 /nfs/dbraw/zinc/03/59/46/1034035946.db2.gz XTDCNPSZHFOTHW-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOc1c(F)cccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158346504 1034035959 /nfs/dbraw/zinc/03/59/59/1034035959.db2.gz XTDCNPSZHFOTHW-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC001158718485 1034242853 /nfs/dbraw/zinc/24/28/53/1034242853.db2.gz YRPOAIQVIBNYTG-FQEVSTJZSA-N -1 3 377.396 3.829 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)[C@@H](F)CC1 ZINC001231075755 1034380269 /nfs/dbraw/zinc/38/02/69/1034380269.db2.gz HBIPJAYIJBOMSN-SMDDNHRTSA-N -1 3 395.406 3.591 20 0 GHADHM CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063151 1034407568 /nfs/dbraw/zinc/40/75/68/1034407568.db2.gz GHBWRRCALKSBMQ-NHYWBVRUSA-N -1 3 376.457 3.537 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063005 1034408402 /nfs/dbraw/zinc/40/84/02/1034408402.db2.gz DRSDUKSHHBWEOD-UHFFFAOYSA-N -1 3 382.420 3.546 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1)c1ccc(Cl)cc1 ZINC001207688860 1034528700 /nfs/dbraw/zinc/52/87/00/1034528700.db2.gz OAKXOGIRYZXTPW-CQSZACIVSA-N -1 3 380.822 3.718 20 0 GHADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c1C ZINC001207901393 1034644496 /nfs/dbraw/zinc/64/44/96/1034644496.db2.gz VZWWSZZOJGPTOG-UHFFFAOYSA-N -1 3 391.367 3.595 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2nn(CC)cc21 ZINC001231523228 1034675351 /nfs/dbraw/zinc/67/53/51/1034675351.db2.gz ZGZWYMKIXXSYHO-AWEZNQCLSA-N -1 3 383.414 3.763 20 0 GHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1OCC ZINC001208004175 1034701852 /nfs/dbraw/zinc/70/18/52/1034701852.db2.gz CAKNFHMCGIPZLQ-UHFFFAOYSA-N -1 3 399.459 3.592 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)ccc1Cl ZINC001231738973 1034874056 /nfs/dbraw/zinc/87/40/56/1034874056.db2.gz VVWXFWLWPVZFGC-SFHVURJKSA-N -1 3 394.853 3.573 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1c2ncsc2ccc1Cl ZINC001208421454 1034890007 /nfs/dbraw/zinc/89/00/07/1034890007.db2.gz HMLCNRWYKYSKFR-UHFFFAOYSA-N -1 3 388.848 3.749 20 0 GHADHM COc1cc2nc(NC(=O)c3c[n-]c4c(C)cccc4c3=O)sc2cc1OC ZINC001160458738 1034980641 /nfs/dbraw/zinc/98/06/41/1034980641.db2.gz OBOZSJBTOBTIPB-UHFFFAOYSA-N -1 3 395.440 3.716 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(NC2(C(F)(F)F)CC2)nc1 ZINC001160824997 1035073380 /nfs/dbraw/zinc/07/33/80/1035073380.db2.gz OZXQKFRPLGWFAK-UHFFFAOYSA-N -1 3 393.337 3.667 20 0 GHADHM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001161102720 1035142642 /nfs/dbraw/zinc/14/26/42/1035142642.db2.gz DXSWEFUIIGNBBT-FUXBKTLASA-N -1 3 384.661 3.836 20 0 GHADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1ccco1 ZINC001209011766 1035149347 /nfs/dbraw/zinc/14/93/47/1035149347.db2.gz CEFWLUQJJPUVGJ-IBGZPJMESA-N -1 3 388.489 3.763 20 0 GHADHM CCc1c(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)cnn1C(CC)CC ZINC001161256431 1035194810 /nfs/dbraw/zinc/19/48/10/1035194810.db2.gz QFALLUUGTKYBOM-UHFFFAOYSA-N -1 3 382.464 3.909 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc(Br)cc(F)c1[O-])c1ccco1 ZINC001161305381 1035206045 /nfs/dbraw/zinc/20/60/45/1035206045.db2.gz MQQDGFJNIPLTEU-YGRLFVJLSA-N -1 3 399.260 3.746 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001161353037 1035214745 /nfs/dbraw/zinc/21/47/45/1035214745.db2.gz XSUQUVKKAFOYOK-AWEZNQCLSA-N -1 3 380.485 3.604 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001461960498 1069915356 /nfs/dbraw/zinc/91/53/56/1069915356.db2.gz CZMVZLANNXEDRL-OAHLLOKOSA-N -1 3 393.256 3.531 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cnn1-c1ccc(F)cc1F ZINC001161567811 1035259859 /nfs/dbraw/zinc/25/98/59/1035259859.db2.gz KSCJMJZMIGUZCJ-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001209665026 1035348160 /nfs/dbraw/zinc/34/81/60/1035348160.db2.gz YUKZIUDUGVFHSK-MELADBBJSA-N -1 3 393.530 3.935 20 0 GHADHM COc1cc(CNC(=S)NC(=O)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC001248215847 1035647423 /nfs/dbraw/zinc/64/74/23/1035647423.db2.gz IBCMGGOPDBQSIY-UHFFFAOYSA-N -1 3 385.272 3.512 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242367483 1035894713 /nfs/dbraw/zinc/89/47/13/1035894713.db2.gz NFKMCSZPKMQXCS-QGZVFWFLSA-N -1 3 386.835 3.904 20 0 GHADHM O=C(NCc1nc(-c2cc(Cl)c(F)c(Cl)c2)no1)c1ccccc1[O-] ZINC001248499364 1035916176 /nfs/dbraw/zinc/91/61/76/1035916176.db2.gz BMJRCESPHMSBQH-UHFFFAOYSA-N -1 3 382.178 3.818 20 0 GHADHM CCOc1ccc(F)c(-c2ccc3c(c2)CS(=O)(=O)[N-]3)c1Br ZINC001243250836 1036077315 /nfs/dbraw/zinc/07/73/15/1036077315.db2.gz HXFDLNQNBXJXHW-UHFFFAOYSA-N -1 3 386.242 3.909 20 0 GHADHM [O-]c1cccc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1F ZINC001243542949 1036203209 /nfs/dbraw/zinc/20/32/09/1036203209.db2.gz AIIXGRNPMFBMMH-UHFFFAOYSA-N -1 3 385.464 3.524 20 0 GHADHM Cc1cc2c(ncnc2-c2cc(C)c(F)c([O-])c2)n1S(=O)(=O)c1ccccc1 ZINC001244505330 1036524069 /nfs/dbraw/zinc/52/40/69/1036524069.db2.gz CGCZEAUUVPCVAU-UHFFFAOYSA-N -1 3 397.431 3.797 20 0 GHADHM [O-]c1cc(I)ccc1NC(=S)NCCc1ccccc1 ZINC001245321976 1036874890 /nfs/dbraw/zinc/87/48/90/1036874890.db2.gz QGSSBLPHNAJFHU-UHFFFAOYSA-N -1 3 398.269 3.526 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278412679 1036960724 /nfs/dbraw/zinc/96/07/24/1036960724.db2.gz BBGGCMWUUAJXPU-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM O=C1CC[C@@]2(CCCN(Cc3cccc([O-])c3Cl)C2)N1Cc1ccncc1 ZINC001232786240 1038551792 /nfs/dbraw/zinc/55/17/92/1038551792.db2.gz TUWZVWGTLHZCCR-OAQYLSRUSA-N -1 3 385.895 3.598 20 0 GHADHM COCCN(Cc1cccc([O-])c1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232788189 1038555578 /nfs/dbraw/zinc/55/55/78/1038555578.db2.gz JAUKWCZIDFYBQC-UHFFFAOYSA-N -1 3 398.931 3.894 20 0 GHADHM COCCN(Cc1cccc([O-])c1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232789185 1038556549 /nfs/dbraw/zinc/55/65/49/1038556549.db2.gz FSAHGANEUDKSCJ-INIZCTEOSA-N -1 3 398.931 3.894 20 0 GHADHM [O-]c1cccc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1Cl ZINC001232789489 1038556810 /nfs/dbraw/zinc/55/68/10/1038556810.db2.gz JOKLLHPKUULCFY-LBPRGKRZSA-N -1 3 387.789 3.898 20 0 GHADHM [O-]c1ccc(CN2CCCc3ccccc3C2)cc1I ZINC001232873454 1038637341 /nfs/dbraw/zinc/63/73/41/1038637341.db2.gz ZQYOXTXRBRRDAW-UHFFFAOYSA-N -1 3 379.241 3.945 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H]2c2ccncc2)cc1I ZINC001232872808 1038641971 /nfs/dbraw/zinc/64/19/71/1038641971.db2.gz JTNWBIIIXBNSFQ-HNNXBMFYSA-N -1 3 380.229 3.729 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC12CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232939582 1038718733 /nfs/dbraw/zinc/71/87/33/1038718733.db2.gz SAYGNMMDAVBZKF-HNNXBMFYSA-N -1 3 382.451 3.940 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3cc([O-])c(F)c(F)c3)C1)C2 ZINC001232975214 1038745783 /nfs/dbraw/zinc/74/57/83/1038745783.db2.gz HHOAZJUJPUYGHM-OPAMFIHVSA-N -1 3 387.426 3.766 20 0 GHADHM [O-]c1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)c1F ZINC001233050867 1038807268 /nfs/dbraw/zinc/80/72/68/1038807268.db2.gz IXRYPMSAYCTMOK-IBGZPJMESA-N -1 3 377.410 3.664 20 0 GHADHM [O-]c1cc(O)c(-c2nnc(-c3ccc(F)cc3)o2)cc1I ZINC001252266150 1038917502 /nfs/dbraw/zinc/91/75/02/1038917502.db2.gz FXAVQRVOKNUZHW-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(OC)c([O-])c1Cl ZINC001233400523 1039240278 /nfs/dbraw/zinc/24/02/78/1039240278.db2.gz MLSUUKIGYLCBJG-CQSZACIVSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(Cl)c1[O-] ZINC001233401973 1039245406 /nfs/dbraw/zinc/24/54/06/1039245406.db2.gz WDAXBHMHLVWLFG-CQSZACIVSA-N -1 3 392.858 3.588 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1c(F)cccc1OC[C@H]1CCCO1 ZINC001253047830 1039376984 /nfs/dbraw/zinc/37/69/84/1039376984.db2.gz YGOKCRQNIZVDMI-SICOMBFOSA-N -1 3 377.437 3.796 20 0 GHADHM CCOC(=O)c1cc([O-])c(Br)c(O[C@@H]2CCCN(C(C)C)C2)c1 ZINC001234061302 1039794102 /nfs/dbraw/zinc/79/41/02/1039794102.db2.gz SXRNEUCRMPXXHO-CYBMUJFWSA-N -1 3 386.286 3.583 20 0 GHADHM CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234263655 1039944822 /nfs/dbraw/zinc/94/48/22/1039944822.db2.gz FUPFAQDGOUJUEE-UHFFFAOYSA-N -1 3 388.819 3.616 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)c1C ZINC001254159744 1040014911 /nfs/dbraw/zinc/01/49/11/1040014911.db2.gz AEVXOBGQXPUXBZ-UHFFFAOYSA-N -1 3 382.485 3.872 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2c([O-])cc(Cl)cc2F)C1 ZINC001234445394 1040039051 /nfs/dbraw/zinc/03/90/51/1040039051.db2.gz ZETKFVBJLOANNP-GFCCVEGCSA-N -1 3 375.824 3.590 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2Oc1c([O-])cc(Cl)cc1F ZINC001234445764 1040039961 /nfs/dbraw/zinc/03/99/61/1040039961.db2.gz AZVZBYPYXYIQBS-RDTXWAMCSA-N -1 3 387.835 3.732 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234688096 1040220393 /nfs/dbraw/zinc/22/03/93/1040220393.db2.gz DUPVNXMVWNYNOM-BZUAXINKSA-N -1 3 383.448 3.626 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCCCC1=O)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234761951 1040291172 /nfs/dbraw/zinc/29/11/72/1040291172.db2.gz HSTFXIKXDYZWNY-MSOLQXFVSA-N -1 3 382.412 3.998 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)nc2Cl)c1 ZINC001254711268 1040471315 /nfs/dbraw/zinc/47/13/15/1040471315.db2.gz MVWBIGPXJQMWNQ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM [O-]c1c(Cl)cc(CN2CCN[C@@H](c3ccccc3)C2)cc1Br ZINC001235853580 1041378849 /nfs/dbraw/zinc/37/88/49/1041378849.db2.gz CEHWXZYREYFEEG-MRXNPFEDSA-N -1 3 381.701 3.955 20 0 GHADHM O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CCN2Cc1cccc([O-])c1Cl ZINC001278912068 1041548072 /nfs/dbraw/zinc/54/80/72/1041548072.db2.gz NGYOUHGENQECDV-HOTGVXAUSA-N -1 3 376.909 3.525 20 0 GHADHM O=S(=O)([N-][C@H](CC1CCOCC1)c1cccc(F)c1)c1ccc(F)cc1F ZINC001256118470 1041549995 /nfs/dbraw/zinc/54/99/95/1041549995.db2.gz LPCPQCIBLYUHMS-GOSISDBHSA-N -1 3 399.434 3.940 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001256125682 1041557683 /nfs/dbraw/zinc/55/76/83/1041557683.db2.gz OJKKRMKSEHETAX-JSGCOSHPSA-N -1 3 388.233 3.562 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)ccc1OC ZINC001256200001 1041644492 /nfs/dbraw/zinc/64/44/92/1041644492.db2.gz JCGDTPBSZKPTFW-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C(F)(F)F)c(C)cc1Cl ZINC001256211287 1041651019 /nfs/dbraw/zinc/65/10/19/1041651019.db2.gz IEOFNLVVACXOIH-AWEZNQCLSA-N -1 3 378.803 3.934 20 0 GHADHM O=C(c1cc([O-])cc(Cl)c1)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001278934914 1041716005 /nfs/dbraw/zinc/71/60/05/1041716005.db2.gz ONXUXVFZRHGSOS-OKILXGFUSA-N -1 3 376.806 3.677 20 0 GHADHM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(Br)c([O-])c1 ZINC001236694183 1041837227 /nfs/dbraw/zinc/83/72/27/1041837227.db2.gz FBCLVDOUFRCBQJ-INIZCTEOSA-N -1 3 375.266 3.758 20 0 GHADHM CN(C[C@H]1CCN(Cc2ccc(Br)c([O-])c2)C1)C(=O)OC(C)(C)C ZINC001236699440 1041839897 /nfs/dbraw/zinc/83/98/97/1041839897.db2.gz VPJRRPGRDVCICW-CQSZACIVSA-N -1 3 399.329 3.844 20 0 GHADHM [O-]c1cc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)ccc1F ZINC001236701458 1041841445 /nfs/dbraw/zinc/84/14/45/1041841445.db2.gz IOFZDZZPOYUBMF-SIKLNZKXSA-N -1 3 386.467 3.514 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2sc(=O)[n-]c2Cl)[C@@H]2CCCC=C21 ZINC001237156937 1042068878 /nfs/dbraw/zinc/06/88/78/1042068878.db2.gz XZKSELJCYAPRTQ-LLVKDONJSA-N -1 3 385.917 3.991 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc([O-])cc(F)c2)C[C@H]1C(F)(F)F ZINC001237284139 1042122957 /nfs/dbraw/zinc/12/29/57/1042122957.db2.gz SVNIPYGPPCMIEX-HUUCEWRRSA-N -1 3 392.393 3.809 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccc1N ZINC001237910063 1042419056 /nfs/dbraw/zinc/41/90/56/1042419056.db2.gz ACBKSTKXIANEIU-UHFFFAOYSA-N -1 3 380.775 3.930 20 0 GHADHM COc1cc(COc2ccc(-c3cncc(-c4nnn[n-]4)c3)cc2)cc(OC)c1 ZINC001240139843 1042896203 /nfs/dbraw/zinc/89/62/03/1042896203.db2.gz KTZNQJUKTWWJAZ-UHFFFAOYSA-N -1 3 389.415 3.525 20 0 GHADHM COc1cc(COc2ccc(-c3cncc(-c4nn[n-]n4)c3)cc2)cc(OC)c1 ZINC001240139843 1042896208 /nfs/dbraw/zinc/89/62/08/1042896208.db2.gz KTZNQJUKTWWJAZ-UHFFFAOYSA-N -1 3 389.415 3.525 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cccc(OC(F)(F)F)c1F ZINC001462700853 1070481594 /nfs/dbraw/zinc/48/15/94/1070481594.db2.gz ISBHAHVOBBUQDT-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nnc(SCc2ccccc2)s1 ZINC001291731469 1043429636 /nfs/dbraw/zinc/42/96/36/1043429636.db2.gz SGHJPQRDXMQRAO-UHFFFAOYSA-N -1 3 375.450 3.856 20 0 GHADHM O=C(Nc1c(F)cccc1N1CCCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001292841711 1043908666 /nfs/dbraw/zinc/90/86/66/1043908666.db2.gz KPJKHEFWESBOHJ-UHFFFAOYSA-N -1 3 387.361 3.798 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(C[N-]S(=O)(=O)c3cc(C)ccc3C)o2)cc1 ZINC001257269017 1043949368 /nfs/dbraw/zinc/94/93/68/1043949368.db2.gz PEJQNFGPTZLCJJ-ROUUACIJSA-N -1 3 397.500 3.744 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1Cl)c1ccccc1Br ZINC001257330997 1043965686 /nfs/dbraw/zinc/96/56/86/1043965686.db2.gz WZVGHVUEZUFAKP-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)c(F)cc1F ZINC001462776698 1070538901 /nfs/dbraw/zinc/53/89/01/1070538901.db2.gz JQXZBNMPJLZGNU-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM CN1CCN(c2ccc(NC(=O)c3ccc(F)c([O-])c3)c(C(F)(F)F)c2)CC1 ZINC001293272785 1044087887 /nfs/dbraw/zinc/08/78/87/1044087887.db2.gz JHCSFIQDVAZBBC-UHFFFAOYSA-N -1 3 397.372 3.554 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(F)c1)C1CC1)c1c(Cl)cccc1Cl ZINC001257790284 1044174177 /nfs/dbraw/zinc/17/41/77/1044174177.db2.gz DLYLXYONDOLZDP-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001462803865 1070556608 /nfs/dbraw/zinc/55/66/08/1070556608.db2.gz PLJAEITXVNASJU-SECBINFHSA-N -1 3 387.308 3.600 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)N1CCc2ccccc2C1 ZINC001462812400 1070563140 /nfs/dbraw/zinc/56/31/40/1070563140.db2.gz ZQCBVWWUAOSJHV-INIZCTEOSA-N -1 3 398.981 3.825 20 0 GHADHM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1ccccc1OC(F)(F)F ZINC001257984104 1044311877 /nfs/dbraw/zinc/31/18/77/1044311877.db2.gz ZMYADPBGDGNAGN-UHFFFAOYSA-N -1 3 381.759 3.532 20 0 GHADHM C[C@@H]1CN(CCc2nnc(-c3cccc(-c4ccccc4)c3[O-])o2)C[C@@H](C)O1 ZINC001258019984 1044345333 /nfs/dbraw/zinc/34/53/33/1044345333.db2.gz PMXXYAHAFGJDEV-HZPDHXFCSA-N -1 3 379.460 3.761 20 0 GHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294440944 1044631927 /nfs/dbraw/zinc/63/19/27/1044631927.db2.gz PKGKKSZBQIHHBF-HIFRSBDPSA-N -1 3 382.410 3.900 20 0 GHADHM O=S(=O)([N-]c1ccc(-c2nnc(CC3CCCC3)o2)c(O)c1)c1ccccc1 ZINC001258695654 1044716578 /nfs/dbraw/zinc/71/65/78/1044716578.db2.gz UJRZAUCGWYKZGC-UHFFFAOYSA-N -1 3 399.472 3.976 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001294649259 1044746596 /nfs/dbraw/zinc/74/65/96/1044746596.db2.gz JDTSAUSWSMDCNH-UHFFFAOYSA-N -1 3 386.448 3.720 20 0 GHADHM CC1(C)CCCC[C@H]1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001294730852 1044777810 /nfs/dbraw/zinc/77/78/10/1044777810.db2.gz PKHBCICQPRLGRP-OAHLLOKOSA-N -1 3 377.282 3.989 20 0 GHADHM CC1(C)CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)[C@@H](c2ccccc2)C1 ZINC001294909703 1044836834 /nfs/dbraw/zinc/83/68/34/1044836834.db2.gz WXUROAMSNIVMIP-LEWJYISDSA-N -1 3 394.515 3.848 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)COC1)c1ccc(Cl)cc1Cl ZINC001258893344 1044849540 /nfs/dbraw/zinc/84/95/40/1044849540.db2.gz FYBSLMCUAGGQLI-UHFFFAOYSA-N -1 3 392.691 3.851 20 0 GHADHM CSc1ncc(Cl)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC001258901615 1044856820 /nfs/dbraw/zinc/85/68/20/1044856820.db2.gz MBNIQIZJZIEDCV-UHFFFAOYSA-N -1 3 398.724 3.637 20 0 GHADHM COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC001259045785 1044932821 /nfs/dbraw/zinc/93/28/21/1044932821.db2.gz OMNCOXODBWNPQB-UHFFFAOYSA-N -1 3 375.837 3.606 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc(-c2ccccc2)cc1 ZINC001259049588 1044936122 /nfs/dbraw/zinc/93/61/22/1044936122.db2.gz QEUDARPCBVQFFD-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001259062709 1044943848 /nfs/dbraw/zinc/94/38/48/1044943848.db2.gz CACQDUPBZSYVHP-MNOVXSKESA-N -1 3 392.727 3.998 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091311 1044956326 /nfs/dbraw/zinc/95/63/26/1044956326.db2.gz XKCAHEGFADUKAN-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCOCC2)cc1C ZINC001259167917 1044988464 /nfs/dbraw/zinc/98/84/64/1044988464.db2.gz KYXKCDHPLIBKBQ-UHFFFAOYSA-N -1 3 379.453 3.801 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCC(F)(F)CC3)cc2)c1 ZINC001259190020 1044999022 /nfs/dbraw/zinc/99/90/22/1044999022.db2.gz QNLAFMOURPOTNU-UHFFFAOYSA-N -1 3 382.432 3.732 20 0 GHADHM O=C([N-]c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nnc(-c2ccco2)o1 ZINC001295455235 1045022699 /nfs/dbraw/zinc/02/26/99/1045022699.db2.gz HQBWGYSNVKYLSI-UHFFFAOYSA-N -1 3 389.293 3.786 20 0 GHADHM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC001259235961 1045033585 /nfs/dbraw/zinc/03/35/85/1045033585.db2.gz WFUAJFCYJSPHOJ-UHFFFAOYSA-N -1 3 389.260 3.507 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1F ZINC001259406585 1045128776 /nfs/dbraw/zinc/12/87/76/1045128776.db2.gz BEFQXHABHHMFLN-UHFFFAOYSA-N -1 3 397.468 3.829 20 0 GHADHM O=S(=O)([N-]CCOc1cccc(Cl)c1Cl)c1cnc(Cl)c(F)c1 ZINC001462889498 1070629339 /nfs/dbraw/zinc/62/93/39/1070629339.db2.gz ZHZYPHNZUQRPMP-UHFFFAOYSA-N -1 3 399.658 3.538 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1cccc(Cl)c1F ZINC001259471617 1045184502 /nfs/dbraw/zinc/18/45/02/1045184502.db2.gz JBVXMOCHJQFFSS-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CCOCC1)c1cccc(Cl)c1F ZINC001259472998 1045185417 /nfs/dbraw/zinc/18/54/17/1045185417.db2.gz PDCBMLJGWDVTFK-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccc2ccccc21)c1cc(F)c(F)c(F)c1 ZINC001259503181 1045208381 /nfs/dbraw/zinc/20/83/81/1045208381.db2.gz LIFYGSJCGPASPK-SFHVURJKSA-N -1 3 395.402 3.659 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccnc(Cl)c1)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001259503563 1045208543 /nfs/dbraw/zinc/20/85/43/1045208543.db2.gz GMUVCXIOSWJDBE-OAHLLOKOSA-N -1 3 376.787 3.582 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccncc1Cl)C1CC1)c1ccc(Cl)cc1F ZINC001259514894 1045216076 /nfs/dbraw/zinc/21/60/76/1045216076.db2.gz NEJCYMBVCKESJO-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1Cl)C1CC1)c1ccc(Cl)cc1F ZINC001259515443 1045216180 /nfs/dbraw/zinc/21/61/80/1045216180.db2.gz JHZPWHKPLBLFSB-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM CCCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001462894262 1070634821 /nfs/dbraw/zinc/63/48/21/1070634821.db2.gz OMXQOLWWNLQVLQ-UHFFFAOYSA-N -1 3 397.932 3.501 20 0 GHADHM CCCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001462894262 1070634831 /nfs/dbraw/zinc/63/48/31/1070634831.db2.gz OMXQOLWWNLQVLQ-UHFFFAOYSA-N -1 3 397.932 3.501 20 0 GHADHM O=C1CCCC[C@@]1([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1Cl ZINC001259740940 1045281778 /nfs/dbraw/zinc/28/17/78/1045281778.db2.gz DWWHWANUEQJTKS-HXUWFJFHSA-N -1 3 391.920 3.841 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)CCc2ccc(F)cc2)c1 ZINC001259761665 1045291288 /nfs/dbraw/zinc/29/12/88/1045291288.db2.gz PROMCXMVNHGVFO-UHFFFAOYSA-N -1 3 397.443 3.905 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(I)cc2[O-])CCO1 ZINC001296290705 1045296520 /nfs/dbraw/zinc/29/65/20/1045296520.db2.gz BVSICUTUYMDRQS-CMPLNLGQSA-N -1 3 389.233 3.531 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)CCC(F)(F)F ZINC001259874064 1045327141 /nfs/dbraw/zinc/32/71/41/1045327141.db2.gz OMHFSJWZVLDKBE-UHFFFAOYSA-N -1 3 394.415 3.678 20 0 GHADHM COCCS(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl ZINC001259971464 1045336526 /nfs/dbraw/zinc/33/65/26/1045336526.db2.gz ANUMURCQBDHKME-UHFFFAOYSA-N -1 3 385.713 3.766 20 0 GHADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccnc(F)c1Br ZINC001260129798 1045388856 /nfs/dbraw/zinc/38/88/56/1045388856.db2.gz TYCWUMZLZCRUFJ-UHFFFAOYSA-N -1 3 396.241 3.641 20 0 GHADHM COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(C(C)C)cc3[O-])C2)cc1C ZINC001296889993 1045392119 /nfs/dbraw/zinc/39/21/19/1045392119.db2.gz KTYGCJVGAGJXFE-QGZVFWFLSA-N -1 3 382.460 3.756 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC001296987193 1045419603 /nfs/dbraw/zinc/41/96/03/1045419603.db2.gz XQNHCYWISYEFHI-MRXNPFEDSA-N -1 3 394.537 3.880 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccno1 ZINC001260276992 1045439129 /nfs/dbraw/zinc/43/91/29/1045439129.db2.gz MCYYCSSOADAITB-ZETCQYMHSA-N -1 3 388.289 3.752 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ncc1Br ZINC001260291890 1045448130 /nfs/dbraw/zinc/44/81/30/1045448130.db2.gz YLDBQVQHGOZJCU-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccoc2c1)c1ccc(Br)cc1F ZINC001260380676 1045483857 /nfs/dbraw/zinc/48/38/57/1045483857.db2.gz SWBWOQSDEYWDLV-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001462920428 1070661746 /nfs/dbraw/zinc/66/17/46/1070661746.db2.gz CYFQTBAGAIWNLE-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001462920428 1070661749 /nfs/dbraw/zinc/66/17/49/1070661749.db2.gz CYFQTBAGAIWNLE-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609018 1045587078 /nfs/dbraw/zinc/58/70/78/1045587078.db2.gz FBXNCZUNPYRBCZ-TZCWYCDXSA-N -1 3 395.503 3.877 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccccc1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001297609414 1045587346 /nfs/dbraw/zinc/58/73/46/1045587346.db2.gz GZZQGYOOTIRYII-ZIAGYGMSSA-N -1 3 389.883 3.543 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cnc(Cl)nc3Cl)ccc2O1 ZINC001260713101 1045620378 /nfs/dbraw/zinc/62/03/78/1045620378.db2.gz QNDNWIUFYQAQIY-UHFFFAOYSA-N -1 3 388.276 3.688 20 0 GHADHM CC(C)Oc1ncc(Cl)cc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC001297802988 1045625454 /nfs/dbraw/zinc/62/54/54/1045625454.db2.gz GHPZNHMZUCDFKS-UHFFFAOYSA-N -1 3 376.775 3.964 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1c(C)nc(Cl)nc1Cl ZINC001260779276 1045657256 /nfs/dbraw/zinc/65/72/56/1045657256.db2.gz WHRMQDSSXPIIQB-UHFFFAOYSA-N -1 3 396.683 3.863 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2F)c1 ZINC001260810335 1045677813 /nfs/dbraw/zinc/67/78/13/1045677813.db2.gz TZLMNIWPIFJMAN-UHFFFAOYSA-N -1 3 376.331 3.604 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2C)c1 ZINC001260811859 1045679416 /nfs/dbraw/zinc/67/94/16/1045679416.db2.gz LLMIKNQMYYPPKZ-UHFFFAOYSA-N -1 3 387.505 3.745 20 0 GHADHM O=C1COc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2N1 ZINC001260918446 1045772381 /nfs/dbraw/zinc/77/23/81/1045772381.db2.gz VMOMXTLRFDJQMI-UHFFFAOYSA-N -1 3 396.424 3.611 20 0 GHADHM O=S(=O)([N-]CCCCc1ccccn1)c1ccc(F)cc1C(F)(F)F ZINC001261012629 1045833697 /nfs/dbraw/zinc/83/36/97/1045833697.db2.gz OBGHLHWCKRDDAP-UHFFFAOYSA-N -1 3 376.375 3.541 20 0 GHADHM CC(C)(Cc1ccccn1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261013995 1045835285 /nfs/dbraw/zinc/83/52/85/1045835285.db2.gz MJMFUZCBNZQEHV-UHFFFAOYSA-N -1 3 376.375 3.539 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc2O1)c1ccc(F)cc1C(F)(F)F ZINC001261013710 1045835403 /nfs/dbraw/zinc/83/54/03/1045835403.db2.gz AGCZMKDBKMYLQM-CYBMUJFWSA-N -1 3 389.370 3.517 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc2C1)c1ccc(F)cc1C(F)(F)F ZINC001261013504 1045836163 /nfs/dbraw/zinc/83/61/63/1045836163.db2.gz FACVTRQMLJJQLC-AWEZNQCLSA-N -1 3 391.361 3.819 20 0 GHADHM O=S(=O)([N-][C@@H](c1ncccc1F)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC001261014810 1045837728 /nfs/dbraw/zinc/83/77/28/1045837728.db2.gz QTCKFTOHSHSMPS-CQSZACIVSA-N -1 3 392.349 3.808 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C(C)C)cc1 ZINC001261062179 1045880043 /nfs/dbraw/zinc/88/00/43/1045880043.db2.gz WBHPKHGGQLLDIP-UHFFFAOYSA-N -1 3 387.910 3.790 20 0 GHADHM CCc1ccc([C@@H]2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)cc1 ZINC001298617545 1045897862 /nfs/dbraw/zinc/89/78/62/1045897862.db2.gz DUXHHUNKCQUOLK-OAHLLOKOSA-N -1 3 382.410 3.998 20 0 GHADHM Cc1c(I)cccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001261374879 1045984955 /nfs/dbraw/zinc/98/49/55/1045984955.db2.gz WZRXKDIEVBIREG-UHFFFAOYSA-N -1 3 381.217 3.585 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)c2ccc(-c3nccs3)cc2)c([O-])c1 ZINC001298993302 1045994383 /nfs/dbraw/zinc/99/43/83/1045994383.db2.gz BDNAYKMRRDNZDU-UHFFFAOYSA-N -1 3 395.484 3.607 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCC(F)(F)c1ccc(Br)cc1 ZINC001301253682 1046432610 /nfs/dbraw/zinc/43/26/10/1046432610.db2.gz LFUAKOQGMSSNSS-UHFFFAOYSA-N -1 3 388.183 3.745 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@](C)(OC)CC1 ZINC001263008223 1046495818 /nfs/dbraw/zinc/49/58/18/1046495818.db2.gz RXHXLEYYTHABTP-HXUWFJFHSA-N -1 3 392.931 3.838 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc3scc(Br)c3c1)C2 ZINC001301715291 1046672785 /nfs/dbraw/zinc/67/27/85/1046672785.db2.gz DFBSOFPNUNHBIB-UHFFFAOYSA-N -1 3 390.262 3.624 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nnn[n-]1 ZINC001301884809 1046746545 /nfs/dbraw/zinc/74/65/45/1046746545.db2.gz LWVQOSFVYZMWIZ-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nn[n-]n1 ZINC001301884809 1046746559 /nfs/dbraw/zinc/74/65/59/1046746559.db2.gz LWVQOSFVYZMWIZ-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM Cc1ccccc1C(=O)C[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001301892773 1046748509 /nfs/dbraw/zinc/74/85/09/1046748509.db2.gz NKFNIYKJSRHJKT-UHFFFAOYSA-N -1 3 382.204 3.848 20 0 GHADHM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001301894920 1046749441 /nfs/dbraw/zinc/74/94/41/1046749441.db2.gz JUXBNOPMDMVPJM-LLVKDONJSA-N -1 3 386.253 3.680 20 0 GHADHM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001301894920 1046749458 /nfs/dbraw/zinc/74/94/58/1046749458.db2.gz JUXBNOPMDMVPJM-LLVKDONJSA-N -1 3 386.253 3.680 20 0 GHADHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001463138862 1070841534 /nfs/dbraw/zinc/84/15/34/1070841534.db2.gz LZYRRQPNEVPXDP-UHFFFAOYSA-N -1 3 382.551 3.728 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)C2)n1 ZINC001303599697 1047443351 /nfs/dbraw/zinc/44/33/51/1047443351.db2.gz ZWLRGELSZFMAMK-VAMGGRTRSA-N -1 3 394.519 3.550 20 0 GHADHM CC(C)(/C=C/Cl)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001303794126 1047514349 /nfs/dbraw/zinc/51/43/49/1047514349.db2.gz KWJVDLSKVPTJRS-HHNLSAEISA-N -1 3 386.879 3.901 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001303801567 1047515327 /nfs/dbraw/zinc/51/53/27/1047515327.db2.gz OSOLMRJTIGRFQT-UHFFFAOYSA-N -1 3 382.407 3.752 20 0 GHADHM CN1c2cc(NC(=O)c3cc4c(cc3[O-])CCCC4)ccc2OCC(C)(C)C1=O ZINC001303972872 1047550660 /nfs/dbraw/zinc/55/06/60/1047550660.db2.gz UWNYKYMGLFMGHC-UHFFFAOYSA-N -1 3 394.471 3.905 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)[n-]n1 ZINC001304108393 1047588329 /nfs/dbraw/zinc/58/83/29/1047588329.db2.gz VZMSAKYWJYOMHF-UHFFFAOYSA-N -1 3 384.367 3.554 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)n[n-]1 ZINC001304108393 1047588335 /nfs/dbraw/zinc/58/83/35/1047588335.db2.gz VZMSAKYWJYOMHF-UHFFFAOYSA-N -1 3 384.367 3.554 20 0 GHADHM C[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131553 1047595098 /nfs/dbraw/zinc/59/50/98/1047595098.db2.gz JPQRELJPPKMYOI-SMDDNHRTSA-N -1 3 382.386 3.701 20 0 GHADHM CCCOc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001304565257 1047714215 /nfs/dbraw/zinc/71/42/15/1047714215.db2.gz DJTBBWJRSCGQAY-UHFFFAOYSA-N -1 3 379.416 3.808 20 0 GHADHM CCCOc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001304565257 1047714218 /nfs/dbraw/zinc/71/42/18/1047714218.db2.gz DJTBBWJRSCGQAY-UHFFFAOYSA-N -1 3 379.416 3.808 20 0 GHADHM C[C@]1(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCCc2ccccc21 ZINC001304566407 1047715107 /nfs/dbraw/zinc/71/51/07/1047715107.db2.gz UESUNUJHBBUSSA-QHCPKHFHSA-N -1 3 389.455 3.999 20 0 GHADHM C[C@]1(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCCc2ccccc21 ZINC001304566407 1047715111 /nfs/dbraw/zinc/71/51/11/1047715111.db2.gz UESUNUJHBBUSSA-QHCPKHFHSA-N -1 3 389.455 3.999 20 0 GHADHM O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)c1cc(F)cc2n[n-]nc21 ZINC001304587248 1047722004 /nfs/dbraw/zinc/72/20/04/1047722004.db2.gz OWNDBCVBJRNXPK-UHFFFAOYSA-N -1 3 397.797 3.868 20 0 GHADHM O=C(c1ccc(Cl)c([O-])c1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001279228114 1047745178 /nfs/dbraw/zinc/74/51/78/1047745178.db2.gz NKVNKTHWRDETRB-GXTWGEPZSA-N -1 3 376.806 3.534 20 0 GHADHM CCCC[C@H](CC)CN1C[C@@H]2CN(Cc3ccc(C(=O)[O-])s3)C[C@H](C1)O2 ZINC001279260340 1047751129 /nfs/dbraw/zinc/75/11/29/1047751129.db2.gz TYYAVRROSSPEFT-YESZJQIVSA-N -1 3 380.554 3.548 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1C ZINC001304819115 1047781641 /nfs/dbraw/zinc/78/16/41/1047781641.db2.gz DQBANOVNGVRIEC-IYARVYRRSA-N -1 3 383.492 3.801 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1C(C)(C)C1(C)C ZINC001463263492 1070948927 /nfs/dbraw/zinc/94/89/27/1070948927.db2.gz SEJXZQVAKFQABC-UHFFFAOYSA-N -1 3 396.734 3.824 20 0 GHADHM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC12CN(Cc1occc1[S-])C2 ZINC001279692797 1047917764 /nfs/dbraw/zinc/91/77/64/1047917764.db2.gz LDQJGMYJXCIWJK-UHFFFAOYSA-N -1 3 387.892 3.804 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)c(Br)c1 ZINC000818327888 1048238996 /nfs/dbraw/zinc/23/89/96/1048238996.db2.gz WXYKDXSFXVTTQH-VIFPVBQESA-N -1 3 390.212 3.728 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001306584901 1048755731 /nfs/dbraw/zinc/75/57/31/1048755731.db2.gz AGAICKRLOLMWKB-OAHLLOKOSA-N -1 3 394.512 3.804 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC001306725404 1048853564 /nfs/dbraw/zinc/85/35/64/1048853564.db2.gz NENLFQWYUFROPX-KUHUBIRLSA-N -1 3 375.440 3.952 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2ccc(C)nc2N2CCCC2)c([O-])c1 ZINC001306823466 1048915267 /nfs/dbraw/zinc/91/52/67/1048915267.db2.gz IBOIUINRCFFVEY-UHFFFAOYSA-N -1 3 383.492 3.805 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)c3ccc(C)c(C)c3)nc21 ZINC001289643247 1049573186 /nfs/dbraw/zinc/57/31/86/1049573186.db2.gz AKDWGVBORKLRKC-UHFFFAOYSA-N -1 3 393.443 3.958 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001307857128 1049638399 /nfs/dbraw/zinc/63/83/99/1049638399.db2.gz SEFRFEIWQFZTFP-KYJSFNMBSA-N -1 3 384.442 3.692 20 0 GHADHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccc(Br)cc1Cl)C2 ZINC001308052949 1049801043 /nfs/dbraw/zinc/80/10/43/1049801043.db2.gz VONWZFWNEFNUDA-UHFFFAOYSA-N -1 3 380.673 3.991 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2c(ccnc2Cl)s1 ZINC001290623144 1049889319 /nfs/dbraw/zinc/88/93/19/1049889319.db2.gz UUAFNOYYINWISA-UHFFFAOYSA-N -1 3 381.866 3.574 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(-n3cccn3)c2)s1 ZINC001290942729 1049957836 /nfs/dbraw/zinc/95/78/36/1049957836.db2.gz NUOYYMVETKSEOF-UHFFFAOYSA-N -1 3 385.449 3.928 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3csc(C)n3)cc2)s1 ZINC001309044096 1050296916 /nfs/dbraw/zinc/29/69/16/1050296916.db2.gz DOXULKDGBVMDDK-JTQLQIEISA-N -1 3 395.531 3.623 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCCC1 ZINC001309059871 1050312483 /nfs/dbraw/zinc/31/24/83/1050312483.db2.gz DEBAWZHRIFVSCH-GOSISDBHSA-N -1 3 384.505 3.638 20 0 GHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001309152114 1050406160 /nfs/dbraw/zinc/40/61/60/1050406160.db2.gz YROIOFQNOFZUNH-QGZVFWFLSA-N -1 3 393.480 3.610 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC001309201648 1050465482 /nfs/dbraw/zinc/46/54/82/1050465482.db2.gz OUWNBVUAYFTJPC-OCCSQVGLSA-N -1 3 389.370 3.634 20 0 GHADHM Cc1ccc(SCc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)cc1 ZINC001328366096 1050483340 /nfs/dbraw/zinc/48/33/40/1050483340.db2.gz WCTBHGFCDZCUEN-UHFFFAOYSA-N -1 3 375.475 3.709 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1cccc(OC(F)(F)F)c1F ZINC001309275287 1050545289 /nfs/dbraw/zinc/54/52/89/1050545289.db2.gz QYRILTYKSSVXGI-UHFFFAOYSA-N -1 3 393.333 3.831 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC001309277789 1050548679 /nfs/dbraw/zinc/54/86/79/1050548679.db2.gz DTQCJYZWAZNDGI-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCC1 ZINC001309279154 1050549524 /nfs/dbraw/zinc/54/95/24/1050549524.db2.gz MXWMWASGMXZSQK-UHFFFAOYSA-N -1 3 380.535 3.685 20 0 GHADHM O=S(=O)([N-]CCSCC(F)(F)F)c1c2ncsc2ccc1Cl ZINC001309315278 1050584776 /nfs/dbraw/zinc/58/47/76/1050584776.db2.gz CBKODWOANMFYHP-UHFFFAOYSA-N -1 3 390.861 3.524 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]Cc2ccc(Sc3ccccc3)cc2)s1 ZINC001309328512 1050596549 /nfs/dbraw/zinc/59/65/49/1050596549.db2.gz ARWJSGAANMOFFV-UHFFFAOYSA-N -1 3 392.527 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O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001309839491 1050998042 /nfs/dbraw/zinc/99/80/42/1050998042.db2.gz VQKHUDXXYDMDEQ-CABZTGNLSA-N -1 3 392.226 3.772 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1occc1Br)c1cc(F)ccc1OC ZINC001309874096 1051017281 /nfs/dbraw/zinc/01/72/81/1051017281.db2.gz HUTSXMPUZSJFOL-GFCCVEGCSA-N -1 3 392.246 3.619 20 0 GHADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1C ZINC001309909524 1051037834 /nfs/dbraw/zinc/03/78/34/1051037834.db2.gz MLCOQBIOLQMHLS-SNVBAGLBSA-N -1 3 375.824 3.975 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cccc(-c2nccs2)c1 ZINC001310181023 1051209546 /nfs/dbraw/zinc/20/95/46/1051209546.db2.gz SWYIZFRGLGEORZ-UHFFFAOYSA-N -1 3 377.433 3.558 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cccc(-c2nccs2)c1 ZINC001310181023 1051209564 /nfs/dbraw/zinc/20/95/64/1051209564.db2.gz SWYIZFRGLGEORZ-UHFFFAOYSA-N -1 3 377.433 3.558 20 0 GHADHM C[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001310454074 1051368600 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GHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC001475228507 1057375660 /nfs/dbraw/zinc/37/56/60/1057375660.db2.gz GEMWZAKAFOTCRQ-UHFFFAOYSA-N -1 3 392.212 3.763 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc2o1 ZINC001326177657 1057426902 /nfs/dbraw/zinc/42/69/02/1057426902.db2.gz PSZMDXVFWKOFHY-KRWDZBQOSA-N -1 3 398.444 3.665 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(-n2cccn2)c(F)c1 ZINC001326290452 1057449232 /nfs/dbraw/zinc/44/92/32/1057449232.db2.gz NUOHSEACGUBXPX-UHFFFAOYSA-N -1 3 388.362 3.795 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC001326290452 1057449236 /nfs/dbraw/zinc/44/92/36/1057449236.db2.gz NUOHSEACGUBXPX-UHFFFAOYSA-N -1 3 388.362 3.795 20 0 GHADHM C[C@H](CCNC(=O)CCCc1ccc([O-])c(F)c1)N(C)C(=O)OC(C)(C)C ZINC001338758374 1058768837 /nfs/dbraw/zinc/76/88/37/1058768837.db2.gz VHBXFYUZTAQCDU-CQSZACIVSA-N -1 3 382.476 3.616 20 0 GHADHM O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cc(=O)[n-]cn1 ZINC001441755179 1058860691 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/nfs/dbraw/zinc/61/74/65/1059617465.db2.gz TTZNRBZLHOPORB-CQSZACIVSA-N -1 3 375.211 3.698 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cnc(-c2ccncc2)s1 ZINC001340038911 1059642383 /nfs/dbraw/zinc/64/23/83/1059642383.db2.gz MXYMPAJLVBWESG-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM CC(C)(C)OC(=O)NCC(F)(F)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001448025760 1060086724 /nfs/dbraw/zinc/08/67/24/1060086724.db2.gz KEMMCNOQBUVRPP-UHFFFAOYSA-N -1 3 398.784 3.708 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2cccc(Cl)c2)CC1 ZINC001340891368 1060227643 /nfs/dbraw/zinc/22/76/43/1060227643.db2.gz QIVCCVRQIICVKN-UHFFFAOYSA-N -1 3 396.882 3.716 20 0 GHADHM COCCC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001448928023 1060298978 /nfs/dbraw/zinc/29/89/78/1060298978.db2.gz ZSRKUQFGWKXNPK-MRXNPFEDSA-N -1 3 398.890 3.949 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(Nc3ccccc3C)CCCC2)c1 ZINC001449473684 1060409880 /nfs/dbraw/zinc/40/98/80/1060409880.db2.gz IVIXGMUSKNVRDG-UHFFFAOYSA-N -1 3 381.476 3.814 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1[O-] ZINC001449535515 1060423735 /nfs/dbraw/zinc/42/37/35/1060423735.db2.gz SOGOIWHQKKQSEP-SFHVURJKSA-N -1 3 382.243 3.539 20 0 GHADHM CCc1c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cnn1-c1ccccc1Cl ZINC001450049762 1060511828 /nfs/dbraw/zinc/51/18/28/1060511828.db2.gz HSMAYRIXXREAMF-UHFFFAOYSA-N -1 3 381.823 3.922 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC001450227411 1060556343 /nfs/dbraw/zinc/55/63/43/1060556343.db2.gz QLZQJUBOSZDECQ-QWRGUYRKSA-N -1 3 399.285 3.562 20 0 GHADHM Cn1nc(C(=O)Nc2c([O-])cccc2Cl)c(Br)c1C(F)(F)F ZINC001450262270 1060564473 /nfs/dbraw/zinc/56/44/73/1060564473.db2.gz FLKDCTHMBGXUTD-UHFFFAOYSA-N -1 3 398.566 3.813 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1nc2ccccc2[nH]1 ZINC001451858941 1060848844 /nfs/dbraw/zinc/84/88/44/1060848844.db2.gz FUBLQJJWVNTDQC-JTQLQIEISA-N -1 3 387.465 3.857 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001452151411 1060907038 /nfs/dbraw/zinc/90/70/38/1060907038.db2.gz YSOKFWNFGZYADZ-UHFFFAOYSA-N -1 3 393.881 3.637 20 0 GHADHM O=C(N[C@H]1CCCCc2cc(Br)ccc21)c1cccc2n[n-]nc21 ZINC001453767728 1061202026 /nfs/dbraw/zinc/20/20/26/1061202026.db2.gz HIDGVONJONKEAI-HNNXBMFYSA-N -1 3 385.265 3.918 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc2c(c1)CCCO2 ZINC001453818353 1061211213 /nfs/dbraw/zinc/21/12/13/1061211213.db2.gz SQMALSDRGYMBIS-LLVKDONJSA-N -1 3 376.250 3.971 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001346286551 1061498299 /nfs/dbraw/zinc/49/82/99/1061498299.db2.gz BADRYFSBJXPCDZ-WMZHIEFXSA-N -1 3 386.536 3.829 20 0 GHADHM C[C@@]1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])COc2ccccc2O1 ZINC001454013510 1061573190 /nfs/dbraw/zinc/57/31/90/1061573190.db2.gz HIHJNBOYEUCWFA-XMMPIXPASA-N -1 3 389.451 3.943 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c(Cl)c(N)c3Cl)nc21 ZINC001546065286 1061938788 /nfs/dbraw/zinc/93/87/88/1061938788.db2.gz KXSPBDYITKCNHR-UHFFFAOYSA-N -1 3 397.193 3.630 20 0 GHADHM [O-]c1c(Cl)cccc1CCc1nnc(N2CCCC2)n1C[C@H]1CCCCO1 ZINC001346994584 1062035766 /nfs/dbraw/zinc/03/57/66/1062035766.db2.gz BKCBIWKYVMGCSU-MRXNPFEDSA-N -1 3 390.915 3.592 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001455256843 1062077315 /nfs/dbraw/zinc/07/73/15/1062077315.db2.gz QUJKBJLPEJIXCI-JKLQHZFJSA-N -1 3 392.499 3.948 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)c(C)o1 ZINC001435274736 1062452373 /nfs/dbraw/zinc/45/23/73/1062452373.db2.gz WWNFTTFZMNCLLF-UHFFFAOYSA-N -1 3 389.458 3.867 20 0 GHADHM O=C([N-][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)C(F)(F)c1ccccc1 ZINC001435397099 1062571301 /nfs/dbraw/zinc/57/13/01/1062571301.db2.gz GFJUDDYFQDGRJN-CQSZACIVSA-N -1 3 398.331 3.719 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCc2cccc(OC3CCCC3)c2)[n-]n1 ZINC001456339516 1062624812 /nfs/dbraw/zinc/62/48/12/1062624812.db2.gz XBRQEMQHZIHWDL-UHFFFAOYSA-N -1 3 385.464 3.868 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)CCc2cccc(OC3CCCC3)c2)n[n-]1 ZINC001456339516 1062624829 /nfs/dbraw/zinc/62/48/29/1062624829.db2.gz XBRQEMQHZIHWDL-UHFFFAOYSA-N -1 3 385.464 3.868 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC001456381182 1062649663 /nfs/dbraw/zinc/64/96/63/1062649663.db2.gz GMHBODMWGLQQHB-NSHDSACASA-N -1 3 375.354 3.685 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(-c3csc(C)n3)c2)c([O-])c(OC)c1 ZINC001456749927 1062841084 /nfs/dbraw/zinc/84/10/84/1062841084.db2.gz VXPXHPJOBWWVDS-UHFFFAOYSA-N -1 3 398.440 3.872 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)cc1F ZINC001456799999 1062864999 /nfs/dbraw/zinc/86/49/99/1062864999.db2.gz LXEOEHSHYLXAQS-LBPRGKRZSA-N -1 3 385.370 3.787 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)cc1F ZINC001456799999 1062865028 /nfs/dbraw/zinc/86/50/28/1062865028.db2.gz LXEOEHSHYLXAQS-LBPRGKRZSA-N -1 3 385.370 3.787 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccccc1NCc1ccco1 ZINC001456947033 1062927641 /nfs/dbraw/zinc/92/76/41/1062927641.db2.gz IZZPMFUYJHFTRA-WKILWMFISA-N -1 3 392.459 3.844 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](O)[C@H](C)c3ccc(C)cc3)n[n-]2)cc1 ZINC001457170816 1062996622 /nfs/dbraw/zinc/99/66/22/1062996622.db2.gz WAMNIZRKBIIHTK-CRAIPNDOSA-N -1 3 396.516 3.817 20 0 GHADHM CCOc1ccc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)cc1OCC ZINC001457497131 1063210873 /nfs/dbraw/zinc/21/08/73/1063210873.db2.gz CVZLAJKWDHCAIH-UHFFFAOYSA-N -1 3 382.416 3.586 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(-c3ccnc(C)n3)c1)c2=O ZINC001457533102 1063229656 /nfs/dbraw/zinc/22/96/56/1063229656.db2.gz STPOSCSPUUFZLE-UHFFFAOYSA-N -1 3 386.411 3.554 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(-c3ccccc3)ns1)c2=O ZINC001457671640 1063304734 /nfs/dbraw/zinc/30/47/34/1063304734.db2.gz QNZXPZJVRKNMIV-UHFFFAOYSA-N -1 3 377.425 3.913 20 0 GHADHM CSc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001436254434 1063330862 /nfs/dbraw/zinc/33/08/62/1063330862.db2.gz QNIAMHMKLWSFCZ-UHFFFAOYSA-N -1 3 397.493 3.844 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001457740799 1063338589 /nfs/dbraw/zinc/33/85/89/1063338589.db2.gz CHCATWXLIHFODB-OAHLLOKOSA-N -1 3 392.496 3.700 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC001457746385 1063343562 /nfs/dbraw/zinc/34/35/62/1063343562.db2.gz PSTRXTJCOQBDKA-DENIHFKCSA-N -1 3 387.451 3.606 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2csc(-c3ccccn3)n2)C[C@H]1c1ccc(F)cc1 ZINC001348836347 1063345906 /nfs/dbraw/zinc/34/59/06/1063345906.db2.gz DCSOWDGCJFGFAP-DLBZAZTESA-N -1 3 383.448 3.644 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2c([O-])cccc2O)c1 ZINC001457984728 1063484189 /nfs/dbraw/zinc/48/41/89/1063484189.db2.gz OFQSQWRNPWIDNT-UHFFFAOYSA-N -1 3 376.384 3.514 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc(C3CC3)c2)ccc1F ZINC001436934540 1063711707 /nfs/dbraw/zinc/71/17/07/1063711707.db2.gz PONYSDGBTUJAMM-UHFFFAOYSA-N -1 3 377.437 3.609 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 ZINC001349459206 1063733923 /nfs/dbraw/zinc/73/39/23/1063733923.db2.gz JAPZRVIIMSJXCS-UHFFFAOYSA-N -1 3 394.519 3.937 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@]1(F)Cl ZINC001349565184 1063793803 /nfs/dbraw/zinc/79/38/03/1063793803.db2.gz YZUAXLVMRIGQQO-GHMZBOCLSA-N -1 3 395.205 3.737 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)s1 ZINC001438528800 1064064020 /nfs/dbraw/zinc/06/40/20/1064064020.db2.gz GSVJODXCRFABRC-HZSPNIEDSA-N -1 3 399.582 3.765 20 0 GHADHM CC(C)c1nsc([N-]C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)n1 ZINC001439089147 1064171224 /nfs/dbraw/zinc/17/12/24/1064171224.db2.gz LXIJKUFIKOHPFB-UHFFFAOYSA-N -1 3 397.291 3.860 20 0 GHADHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001463404181 1064319048 /nfs/dbraw/zinc/31/90/48/1064319048.db2.gz NUMCXNJWVZWBIE-VXGBXAGGSA-N -1 3 388.942 3.822 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC001463420555 1064334075 /nfs/dbraw/zinc/33/40/75/1064334075.db2.gz ICBGUNRYUGDKQT-ZDUSSCGKSA-N -1 3 381.416 3.509 20 0 GHADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001463474402 1064387623 /nfs/dbraw/zinc/38/76/23/1064387623.db2.gz REIIZBICALEFCS-AWEZNQCLSA-N -1 3 388.411 3.761 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@@H](C)C2)c(F)cc1Br ZINC001463493164 1064403438 /nfs/dbraw/zinc/40/34/38/1064403438.db2.gz SRRBSNISYJOWLO-JFGNBEQYSA-N -1 3 378.307 4.000 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCCC1)c1ccccc1)c1ccc(Cl)cc1F ZINC001463520531 1064430789 /nfs/dbraw/zinc/43/07/89/1064430789.db2.gz ZJOGRTYYUAUMJT-GOSISDBHSA-N -1 3 396.915 3.985 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC001463537432 1064445225 /nfs/dbraw/zinc/44/52/25/1064445225.db2.gz BMGRDRDDKCPLHI-DQIAKBPPSA-N -1 3 386.583 3.973 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001463606707 1064495133 /nfs/dbraw/zinc/49/51/33/1064495133.db2.gz FBMFVUFCAZGLOA-VXGBXAGGSA-N -1 3 390.299 3.793 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(Br)n1 ZINC001463638058 1064518179 /nfs/dbraw/zinc/51/81/79/1064518179.db2.gz MOUGXEIMOYXVQU-GXTWGEPZSA-N -1 3 399.285 3.598 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C1CCCC1 ZINC001463697268 1064555697 /nfs/dbraw/zinc/55/56/97/1064555697.db2.gz JJIPXNXRJSCRPY-NSHDSACASA-N -1 3 379.931 3.744 20 0 GHADHM COc1ccc(C)cc1CN1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001463737691 1064579752 /nfs/dbraw/zinc/57/97/52/1064579752.db2.gz QVTPQEAKDXOSLS-UHFFFAOYSA-N -1 3 396.512 3.882 20 0 GHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001463823073 1064649794 /nfs/dbraw/zinc/64/97/94/1064649794.db2.gz XGQSJKYGQVDGPV-CWTRNNRKSA-N -1 3 393.892 3.929 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1C1CC1)c1cnc(Cl)c(Br)c1 ZINC001463875606 1064687592 /nfs/dbraw/zinc/68/75/92/1064687592.db2.gz HSWRJPOTFUTBGG-JQWIXIFHSA-N -1 3 393.734 3.602 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c(F)cc1F ZINC001463895774 1064701126 /nfs/dbraw/zinc/70/11/26/1064701126.db2.gz QANQHSGBBWNCRT-MRXNPFEDSA-N -1 3 387.473 3.517 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 ZINC001463952046 1064737057 /nfs/dbraw/zinc/73/70/57/1064737057.db2.gz XTDYZWKJGZBVQY-QMMMGPOBSA-N -1 3 398.403 3.783 20 0 GHADHM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001464060959 1064795016 /nfs/dbraw/zinc/79/50/16/1064795016.db2.gz USSPEUCFVKDVEY-ZDUSSCGKSA-N -1 3 376.375 3.539 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)c2ccc(F)cc2)sc1Cl ZINC001464078462 1064803570 /nfs/dbraw/zinc/80/35/70/1064803570.db2.gz DGVGMLGPJGMDEN-ZDUSSCGKSA-N -1 3 385.873 3.640 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCCC1 ZINC001464144701 1064857150 /nfs/dbraw/zinc/85/71/50/1064857150.db2.gz IOFWXSYJGYUZKE-CYBMUJFWSA-N -1 3 396.734 3.586 20 0 GHADHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc2nc[nH]c21 ZINC001464184904 1064896148 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3.604 20 0 GHADHM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc2sccc2c([O-])c1 ZINC001464505719 1065051894 /nfs/dbraw/zinc/05/18/94/1065051894.db2.gz YEMTVMCUVSQREM-UHFFFAOYSA-N -1 3 380.425 3.508 20 0 GHADHM Cc1ccc([C@@H](NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C(F)(F)F)o1 ZINC001300027576 1065054587 /nfs/dbraw/zinc/05/45/87/1065054587.db2.gz BWSYEJAKXJLESF-OAHLLOKOSA-N -1 3 386.276 3.741 20 0 GHADHM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3sc(C)cc3C)on2)c1 ZINC001464642550 1065130888 /nfs/dbraw/zinc/13/08/88/1065130888.db2.gz QSQSLLREIDSWGT-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM COc1nsc(C(=O)[N-]c2nc3c(s2)CCCCC3)c1Br ZINC001464650784 1065138029 /nfs/dbraw/zinc/13/80/29/1065138029.db2.gz PRPCNTJQONGPSW-UHFFFAOYSA-N -1 3 388.312 3.892 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(Br)cc2)s1 ZINC001464682152 1065154657 /nfs/dbraw/zinc/15/46/57/1065154657.db2.gz BXCWLHUJXPXCAR-SNVBAGLBSA-N -1 3 389.340 3.550 20 0 GHADHM O=C(NCc1nc2ccc(Br)cc2o1)c1cc([O-])ccc1Cl ZINC001300063802 1065165744 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COC(=O)c1[nH]c2ccccc2c1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001474378350 1074373585 /nfs/dbraw/zinc/37/35/85/1074373585.db2.gz RFNXLSQPORWQBO-UHFFFAOYSA-N -1 3 392.455 3.755 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)c1 ZINC001474788352 1074563941 /nfs/dbraw/zinc/56/39/41/1074563941.db2.gz LYDBIYHQPPYQQK-QGZVFWFLSA-N -1 3 379.453 3.678 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)c(F)cc1F ZINC001474802611 1074570372 /nfs/dbraw/zinc/57/03/72/1074570372.db2.gz WUYTZWBPDQTNJS-UHFFFAOYSA-N -1 3 381.322 3.650 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3c(C)cc(C)c(F)c3C)CCCCC2)no1 ZINC001474821388 1074578631 /nfs/dbraw/zinc/57/86/31/1074578631.db2.gz BVWBHLGUXXZUGN-UHFFFAOYSA-N -1 3 381.473 3.580 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C12CCCCC2 ZINC001475029672 1074694707 /nfs/dbraw/zinc/69/47/07/1074694707.db2.gz XQBLXSGHHPMBKW-LSDHHAIUSA-N -1 3 375.893 3.885 20 0 GHADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2sc(Br)cc2C)C[C@@H]1OC ZINC001475125781 1074748112 /nfs/dbraw/zinc/74/81/12/1074748112.db2.gz DSZRDGWGPFGSBQ-QWRGUYRKSA-N -1 3 396.372 3.691 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(OC(F)(F)F)c1F ZINC001475239056 1074800439 /nfs/dbraw/zinc/80/04/39/1074800439.db2.gz HEEWCVSZLZAANW-VXGBXAGGSA-N -1 3 393.333 3.698 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCCC(C)(C)C ZINC001475246819 1074803586 /nfs/dbraw/zinc/80/35/86/1074803586.db2.gz YLCMUPQBWUDANB-INIZCTEOSA-N -1 3 389.945 3.560 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccco2)cc1F)c1cc(F)c(F)c(F)c1 ZINC001475264856 1074811660 /nfs/dbraw/zinc/81/16/60/1074811660.db2.gz VBQBRORSKSEYMH-UHFFFAOYSA-N -1 3 385.338 3.982 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(Cl)c2nonc21 ZINC001475267576 1074812804 /nfs/dbraw/zinc/81/28/04/1074812804.db2.gz AHIQWNNGKNOSEA-YPMHNXCESA-N -1 3 395.843 3.630 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC001475300215 1074827204 /nfs/dbraw/zinc/82/72/04/1074827204.db2.gz AYTAZZJXPAONBN-JKSUJKDBSA-N -1 3 393.530 3.787 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)C(C)C ZINC001475370595 1074852324 /nfs/dbraw/zinc/85/23/24/1074852324.db2.gz AWFXWAQBKVPNKI-TZMCWYRMSA-N -1 3 396.734 3.824 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1C1CC1)c1ccc(Br)cc1F ZINC001475390502 1074858199 /nfs/dbraw/zinc/85/81/99/1074858199.db2.gz UXZAHHIZIGOTOS-DGCLKSJQSA-N -1 3 376.291 3.693 20 0 GHADHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(OC)c2F)c2ccco2)cc1 ZINC001475397901 1074860623 /nfs/dbraw/zinc/86/06/23/1074860623.db2.gz FERRFEPGGVFVJL-LJQANCHMSA-N -1 3 391.420 3.504 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCCCCc2ccccc2)c1 ZINC001475503020 1074899392 /nfs/dbraw/zinc/89/93/92/1074899392.db2.gz QDKRAEUEAJYEQX-UHFFFAOYSA-N -1 3 393.480 3.694 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(c3ccccc3)CC2(C)C)c1 ZINC001475533361 1074906934 /nfs/dbraw/zinc/90/69/34/1074906934.db2.gz WULZRHUCAYAHCO-FQEVSTJZSA-N -1 3 391.464 3.606 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1Cl ZINC001475550684 1074911659 /nfs/dbraw/zinc/91/16/59/1074911659.db2.gz NJMSEHUASFCENM-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2c3ccccc3CN2C)c(-c2ccccc2)s1 ZINC001475595053 1074922831 /nfs/dbraw/zinc/92/28/31/1074922831.db2.gz CQOWZAAECDROAN-SFHVURJKSA-N -1 3 399.541 3.584 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]Cc1nc(-c2ccncc2)cs1 ZINC001475648682 1074992465 /nfs/dbraw/zinc/99/24/65/1074992465.db2.gz GPWYNJCUHVVWKL-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM CCOC(=O)[C@@H](CCCC(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475663314 1074995613 /nfs/dbraw/zinc/99/56/13/1074995613.db2.gz FXDKLJHXKYMAFY-CQSZACIVSA-N -1 3 379.881 3.515 20 0 GHADHM CCc1noc([C@@H]2CC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC001475750571 1075014788 /nfs/dbraw/zinc/01/47/88/1075014788.db2.gz JYPIGNWIRWTOIU-MWLCHTKSSA-N -1 3 390.292 3.553 20 0 GHADHM C=COc1ccc(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC001476019826 1075070001 /nfs/dbraw/zinc/07/00/01/1075070001.db2.gz JPZAJPCDJOEJKM-UHFFFAOYSA-N -1 3 391.449 3.623 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000016149117 212104556 /nfs/dbraw/zinc/10/45/56/212104556.db2.gz MRJNMRYAYMKETG-UHFFFAOYSA-N -1 3 383.294 3.987 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)o1 ZINC000736687244 598835612 /nfs/dbraw/zinc/83/56/12/598835612.db2.gz RYBVAFCADKFGCT-QGZVFWFLSA-N -1 3 395.463 3.545 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)o1 ZINC000736687244 598835614 /nfs/dbraw/zinc/83/56/14/598835614.db2.gz RYBVAFCADKFGCT-QGZVFWFLSA-N -1 3 395.463 3.545 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCC1(c2cccs2)CCCCC1 ZINC000737853869 598836053 /nfs/dbraw/zinc/83/60/53/598836053.db2.gz WJCQBIHLIUBZJL-UHFFFAOYSA-N -1 3 395.532 3.879 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCC1(c2cccs2)CCCCC1 ZINC000737853869 598836055 /nfs/dbraw/zinc/83/60/55/598836055.db2.gz WJCQBIHLIUBZJL-UHFFFAOYSA-N -1 3 395.532 3.879 20 0 GHADHM C[C@H]1CC(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C[C@H](C)C1 ZINC000736222281 598838383 /nfs/dbraw/zinc/83/83/83/598838383.db2.gz CDFMPGKZRRCXCI-ZIAGYGMSSA-N -1 3 395.463 3.593 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000737955989 598865013 /nfs/dbraw/zinc/86/50/13/598865013.db2.gz RFVMNGIXRBEDRX-RBUKOAKNSA-N -1 3 380.423 3.818 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000737955989 598865014 /nfs/dbraw/zinc/86/50/14/598865014.db2.gz RFVMNGIXRBEDRX-RBUKOAKNSA-N -1 3 380.423 3.818 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894447 598879320 /nfs/dbraw/zinc/87/93/20/598879320.db2.gz CUMQIAOYRVQOBN-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM COC(=O)[C@H](Nc1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894447 598879321 /nfs/dbraw/zinc/87/93/21/598879321.db2.gz CUMQIAOYRVQOBN-LJQANCHMSA-N -1 3 393.447 3.514 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1cccc2ccccc21 ZINC000736041522 598884958 /nfs/dbraw/zinc/88/49/58/598884958.db2.gz XFZBUPMCMQRSNG-OAHLLOKOSA-N -1 3 388.427 3.573 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1cccc2ccccc21 ZINC000736041522 598884960 /nfs/dbraw/zinc/88/49/60/598884960.db2.gz XFZBUPMCMQRSNG-OAHLLOKOSA-N -1 3 388.427 3.573 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736261618 598890384 /nfs/dbraw/zinc/89/03/84/598890384.db2.gz LBDPRMPLPISPLO-IUODEOHRSA-N -1 3 382.493 3.583 20 0 GHADHM COC(=O)c1occc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736955967 598902247 /nfs/dbraw/zinc/90/22/47/598902247.db2.gz CUKUWAZNVYHBFA-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM COC(=O)c1occc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736955967 598902249 /nfs/dbraw/zinc/90/22/49/598902249.db2.gz CUKUWAZNVYHBFA-UHFFFAOYSA-N -1 3 393.428 3.601 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000737293473 598905465 /nfs/dbraw/zinc/90/54/65/598905465.db2.gz DMQGRFQIJFWHDR-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000737293473 598905467 /nfs/dbraw/zinc/90/54/67/598905467.db2.gz DMQGRFQIJFWHDR-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736350400 598905542 /nfs/dbraw/zinc/90/55/42/598905542.db2.gz NAWRVFXNXLDVSO-QGZVFWFLSA-N -1 3 397.523 3.843 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736350400 598905543 /nfs/dbraw/zinc/90/55/43/598905543.db2.gz NAWRVFXNXLDVSO-QGZVFWFLSA-N -1 3 397.523 3.843 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000736364206 598922896 /nfs/dbraw/zinc/92/28/96/598922896.db2.gz PSXXPKACKGUOLM-LLVKDONJSA-N -1 3 380.836 3.994 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000736364206 598922898 /nfs/dbraw/zinc/92/28/98/598922898.db2.gz PSXXPKACKGUOLM-LLVKDONJSA-N -1 3 380.836 3.994 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000736638258 598923232 /nfs/dbraw/zinc/92/32/32/598923232.db2.gz ZCYJIEWFNZDKDB-FQEVSTJZSA-N -1 3 382.468 3.620 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000736638258 598923233 /nfs/dbraw/zinc/92/32/33/598923233.db2.gz ZCYJIEWFNZDKDB-FQEVSTJZSA-N -1 3 382.468 3.620 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736360300 598924694 /nfs/dbraw/zinc/92/46/94/598924694.db2.gz AQZQRMWMSVGKMF-ZDUSSCGKSA-N -1 3 390.900 3.874 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736360300 598924696 /nfs/dbraw/zinc/92/46/96/598924696.db2.gz AQZQRMWMSVGKMF-ZDUSSCGKSA-N -1 3 390.900 3.874 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735859724 598925845 /nfs/dbraw/zinc/92/58/45/598925845.db2.gz ZOGNVRSDWCNIAC-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735859724 598925847 /nfs/dbraw/zinc/92/58/47/598925847.db2.gz ZOGNVRSDWCNIAC-UHFFFAOYSA-N -1 3 391.475 3.706 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000737559387 598936468 /nfs/dbraw/zinc/93/64/68/598936468.db2.gz VPLADZVQACNDHH-UHFFFAOYSA-N -1 3 396.867 3.524 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000737559387 598936470 /nfs/dbraw/zinc/93/64/70/598936470.db2.gz VPLADZVQACNDHH-UHFFFAOYSA-N -1 3 396.867 3.524 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2CC=CC2)cc1 ZINC000737033229 598941239 /nfs/dbraw/zinc/94/12/39/598941239.db2.gz VHRJPNVURVNMMI-UHFFFAOYSA-N -1 3 377.404 3.572 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C2CC=CC2)cc1 ZINC000737033229 598941240 /nfs/dbraw/zinc/94/12/40/598941240.db2.gz VHRJPNVURVNMMI-UHFFFAOYSA-N -1 3 377.404 3.572 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736605441 598941473 /nfs/dbraw/zinc/94/14/73/598941473.db2.gz KNUFEZVPXGIUMW-UHFFFAOYSA-N -1 3 399.357 3.680 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736605441 598941474 /nfs/dbraw/zinc/94/14/74/598941474.db2.gz KNUFEZVPXGIUMW-UHFFFAOYSA-N -1 3 399.357 3.680 20 0 GHADHM CCc1noc([C@H](C)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000736713822 598961622 /nfs/dbraw/zinc/96/16/22/598961622.db2.gz SOFYKMZQQMWBKO-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736257028 598988040 /nfs/dbraw/zinc/98/80/40/598988040.db2.gz ZSTHFBJFYNVBKS-KXBFYZLASA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736257028 598988042 /nfs/dbraw/zinc/98/80/42/598988042.db2.gz ZSTHFBJFYNVBKS-KXBFYZLASA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000736228968 599020710 /nfs/dbraw/zinc/02/07/10/599020710.db2.gz PEZRPWVVYRWFIC-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000736228968 599020712 /nfs/dbraw/zinc/02/07/12/599020712.db2.gz PEZRPWVVYRWFIC-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736400790 599021727 /nfs/dbraw/zinc/02/17/27/599021727.db2.gz CJHQUQQTUBSERI-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736400790 599021729 /nfs/dbraw/zinc/02/17/29/599021729.db2.gz CJHQUQQTUBSERI-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM O=C(OCc1ccc(OCc2cccs2)cc1)c1sccc1-c1nnn[n-]1 ZINC000738234346 599027180 /nfs/dbraw/zinc/02/71/80/599027180.db2.gz CHHYJEGPVLRGQN-UHFFFAOYSA-N -1 3 398.469 3.926 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2ccc(C)nc21 ZINC000736479351 599041157 /nfs/dbraw/zinc/04/11/57/599041157.db2.gz FZYINCDIBZCJHB-UHFFFAOYSA-N -1 3 386.459 3.776 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2ccc(C)nc21 ZINC000736479351 599041154 /nfs/dbraw/zinc/04/11/54/599041154.db2.gz FZYINCDIBZCJHB-UHFFFAOYSA-N -1 3 386.459 3.776 20 0 GHADHM Fc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)c(F)c1 ZINC000737646841 599047700 /nfs/dbraw/zinc/04/77/00/599047700.db2.gz AEKAJOQWULVSAQ-UHFFFAOYSA-N -1 3 396.323 3.728 20 0 GHADHM Fc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C2CC2)c(F)c1 ZINC000737646841 599047703 /nfs/dbraw/zinc/04/77/03/599047703.db2.gz AEKAJOQWULVSAQ-UHFFFAOYSA-N -1 3 396.323 3.728 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cccc(Br)c2)n1 ZINC000737636443 599049843 /nfs/dbraw/zinc/04/98/43/599049843.db2.gz SCISGBAXFFHTOM-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cccc(Br)c2)n1 ZINC000737636443 599049846 /nfs/dbraw/zinc/04/98/46/599049846.db2.gz SCISGBAXFFHTOM-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736559082 599063458 /nfs/dbraw/zinc/06/34/58/599063458.db2.gz URZUYEUNHVECNO-CYBMUJFWSA-N -1 3 385.468 3.535 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736559082 599063461 /nfs/dbraw/zinc/06/34/61/599063461.db2.gz URZUYEUNHVECNO-CYBMUJFWSA-N -1 3 385.468 3.535 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)c1ccco1 ZINC000737281448 599071790 /nfs/dbraw/zinc/07/17/90/599071790.db2.gz ZAHMJUGNTAUJAH-ZDUSSCGKSA-N -1 3 390.403 3.698 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccco1 ZINC000735564495 599074051 /nfs/dbraw/zinc/07/40/51/599074051.db2.gz XOEJNSHWPSNBMR-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccco1 ZINC000735564495 599074055 /nfs/dbraw/zinc/07/40/55/599074055.db2.gz XOEJNSHWPSNBMR-ZDUSSCGKSA-N -1 3 375.388 3.994 20 0 GHADHM O=C(C1CCCCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737790014 599075607 /nfs/dbraw/zinc/07/56/07/599075607.db2.gz DLEXKKMWJRWOGY-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737329523 599082855 /nfs/dbraw/zinc/08/28/55/599082855.db2.gz KHDSLSXHRPMQET-QFBILLFUSA-N -1 3 391.475 3.696 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737329523 599082858 /nfs/dbraw/zinc/08/28/58/599082858.db2.gz KHDSLSXHRPMQET-QFBILLFUSA-N -1 3 391.475 3.696 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000736244875 599087070 /nfs/dbraw/zinc/08/70/70/599087070.db2.gz OPHZVJOUPYXKTJ-GJZGRUSLSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(-n2ccnc2)c1 ZINC000820452107 599095087 /nfs/dbraw/zinc/09/50/87/599095087.db2.gz ZROVFJKTSYBSRJ-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(-n2ccnc2)c1 ZINC000820452107 599095090 /nfs/dbraw/zinc/09/50/90/599095090.db2.gz ZROVFJKTSYBSRJ-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391168 599103600 /nfs/dbraw/zinc/10/36/00/599103600.db2.gz ZUFYZNYEKUJKTM-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391168 599103601 /nfs/dbraw/zinc/10/36/01/599103601.db2.gz ZUFYZNYEKUJKTM-FQEVSTJZSA-N -1 3 375.476 3.780 20 0 GHADHM CC(C)CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000735796558 599104843 /nfs/dbraw/zinc/10/48/43/599104843.db2.gz DHAJUPXCWVJANW-MRXNPFEDSA-N -1 3 376.480 3.656 20 0 GHADHM CC(C)CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000735796558 599104844 /nfs/dbraw/zinc/10/48/44/599104844.db2.gz DHAJUPXCWVJANW-MRXNPFEDSA-N -1 3 376.480 3.656 20 0 GHADHM COCCN(C(=O)CCCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989100 599113433 /nfs/dbraw/zinc/11/34/33/599113433.db2.gz RGGIXEKVJWOJPH-UHFFFAOYSA-N -1 3 399.882 3.522 20 0 GHADHM COCCN(C(=O)CCCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989100 599113435 /nfs/dbraw/zinc/11/34/35/599113435.db2.gz RGGIXEKVJWOJPH-UHFFFAOYSA-N -1 3 399.882 3.522 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821883197 599127820 /nfs/dbraw/zinc/12/78/20/599127820.db2.gz SBRMUQDUHSFSAY-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821883197 599127821 /nfs/dbraw/zinc/12/78/21/599127821.db2.gz SBRMUQDUHSFSAY-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764863 599136223 /nfs/dbraw/zinc/13/62/23/599136223.db2.gz LOUDINFYFMHYOH-WQLSENKSSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764863 599136226 /nfs/dbraw/zinc/13/62/26/599136226.db2.gz LOUDINFYFMHYOH-WQLSENKSSA-N -1 3 387.365 3.605 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737290045 599145862 /nfs/dbraw/zinc/14/58/62/599145862.db2.gz AZMFBOMMQVJDPT-UHFFFAOYSA-N -1 3 380.427 3.758 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000737290045 599145863 /nfs/dbraw/zinc/14/58/63/599145863.db2.gz AZMFBOMMQVJDPT-UHFFFAOYSA-N -1 3 380.427 3.758 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950353 599147462 /nfs/dbraw/zinc/14/74/62/599147462.db2.gz KUHJFVUKQCHIJC-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM O=C(CCC(F)(F)F)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950353 599147463 /nfs/dbraw/zinc/14/74/63/599147463.db2.gz KUHJFVUKQCHIJC-UHFFFAOYSA-N -1 3 377.326 3.940 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738144831 599161614 /nfs/dbraw/zinc/16/16/14/599161614.db2.gz NVSODCMJEDNDAI-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738144831 599161615 /nfs/dbraw/zinc/16/16/15/599161615.db2.gz NVSODCMJEDNDAI-WDEREUQCSA-N -1 3 375.766 3.541 20 0 GHADHM CC(C)(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597691 599162314 /nfs/dbraw/zinc/16/23/14/599162314.db2.gz SJRAEDSXNTUSQG-HKUYNNGSSA-N -1 3 396.539 3.510 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000823232911 599162918 /nfs/dbraw/zinc/16/29/18/599162918.db2.gz ALZXTZZYGKZJBW-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000823232911 599162920 /nfs/dbraw/zinc/16/29/20/599162920.db2.gz ALZXTZZYGKZJBW-UHFFFAOYSA-N -1 3 399.857 3.787 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820031390 599167878 /nfs/dbraw/zinc/16/78/78/599167878.db2.gz DXALYXLNULNKOI-SFHVURJKSA-N -1 3 399.495 3.580 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820031390 599167879 /nfs/dbraw/zinc/16/78/79/599167879.db2.gz DXALYXLNULNKOI-SFHVURJKSA-N -1 3 399.495 3.580 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCCC[C@H]1C ZINC000735734272 599170414 /nfs/dbraw/zinc/17/04/14/599170414.db2.gz GGVGSVNZKVHTPL-WBMJQRKESA-N -1 3 377.489 3.524 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCCC[C@H]1C ZINC000735734272 599170415 /nfs/dbraw/zinc/17/04/15/599170415.db2.gz GGVGSVNZKVHTPL-WBMJQRKESA-N -1 3 377.489 3.524 20 0 GHADHM Fc1ccc(CN2CCSC[C@H]2c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000737649514 599177666 /nfs/dbraw/zinc/17/76/66/599177666.db2.gz OXFIDTFHBAYJMQ-KRWDZBQOSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1ccc(CN2CCSC[C@H]2c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000737649514 599177668 /nfs/dbraw/zinc/17/76/68/599177668.db2.gz OXFIDTFHBAYJMQ-KRWDZBQOSA-N -1 3 389.887 3.949 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000735514164 599179188 /nfs/dbraw/zinc/17/91/88/599179188.db2.gz RGGRAHNGLQMKQM-CYBMUJFWSA-N -1 3 381.867 3.815 20 0 GHADHM C[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(Cl)c1 ZINC000735514164 599179191 /nfs/dbraw/zinc/17/91/91/599179191.db2.gz RGGRAHNGLQMKQM-CYBMUJFWSA-N -1 3 381.867 3.815 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100560 599181438 /nfs/dbraw/zinc/18/14/38/599181438.db2.gz KDFUUSHTTATRIQ-CVEARBPZSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000461100560 599181439 /nfs/dbraw/zinc/18/14/39/599181439.db2.gz KDFUUSHTTATRIQ-CVEARBPZSA-N -1 3 388.258 3.593 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccsc2c1 ZINC000735907226 599184678 /nfs/dbraw/zinc/18/46/78/599184678.db2.gz ZILQYYGVIPIAKY-UHFFFAOYSA-N -1 3 380.433 3.516 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2c(s1)CCCCCC2 ZINC000823242099 599182679 /nfs/dbraw/zinc/18/26/79/599182679.db2.gz PRLMRIMQQIEPAM-UHFFFAOYSA-N -1 3 385.468 3.656 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2c(s1)CCCCCC2 ZINC000823242099 599182682 /nfs/dbraw/zinc/18/26/82/599182682.db2.gz PRLMRIMQQIEPAM-UHFFFAOYSA-N -1 3 385.468 3.656 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000736036730 599190241 /nfs/dbraw/zinc/19/02/41/599190241.db2.gz HFMROPJNLTXGAN-KGLIPLIRSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000736036730 599190244 /nfs/dbraw/zinc/19/02/44/599190244.db2.gz HFMROPJNLTXGAN-KGLIPLIRSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000820535622 599192911 /nfs/dbraw/zinc/19/29/11/599192911.db2.gz PKYXTXLUDDSFBH-INIZCTEOSA-N -1 3 399.454 3.964 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000820535622 599192914 /nfs/dbraw/zinc/19/29/14/599192914.db2.gz PKYXTXLUDDSFBH-INIZCTEOSA-N -1 3 399.454 3.964 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738293135 599198183 /nfs/dbraw/zinc/19/81/83/599198183.db2.gz RCJMNFAKQQWQAC-UHFFFAOYSA-N -1 3 387.896 3.677 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738293135 599198186 /nfs/dbraw/zinc/19/81/86/599198186.db2.gz RCJMNFAKQQWQAC-UHFFFAOYSA-N -1 3 387.896 3.677 20 0 GHADHM O=C(NCC(C1CC1)C1CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823161349 599198628 /nfs/dbraw/zinc/19/86/28/599198628.db2.gz NFUVOOLGVWYUHQ-UHFFFAOYSA-N -1 3 388.475 3.776 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000822927787 599200515 /nfs/dbraw/zinc/20/05/15/599200515.db2.gz AJMYRWDZBDIJCX-BLIJAFNYSA-N -1 3 391.500 3.521 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000822927787 599200517 /nfs/dbraw/zinc/20/05/17/599200517.db2.gz AJMYRWDZBDIJCX-BLIJAFNYSA-N -1 3 391.500 3.521 20 0 GHADHM CCC(CC)(CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820887593 599201009 /nfs/dbraw/zinc/20/10/09/599201009.db2.gz ICZQEGVIQUVAMN-UHFFFAOYSA-N -1 3 395.532 3.833 20 0 GHADHM CCC(CC)(CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887593 599201011 /nfs/dbraw/zinc/20/10/11/599201011.db2.gz ICZQEGVIQUVAMN-UHFFFAOYSA-N -1 3 395.532 3.833 20 0 GHADHM CC1(C)CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000820596937 599206275 /nfs/dbraw/zinc/20/62/75/599206275.db2.gz VYPVDGNKQXSOIR-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CC1(C)CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000820596937 599206278 /nfs/dbraw/zinc/20/62/78/599206278.db2.gz VYPVDGNKQXSOIR-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC2(C1)CCCCCC2 ZINC000823065745 599202556 /nfs/dbraw/zinc/20/25/56/599202556.db2.gz AVSLHNNBVVJFOU-UHFFFAOYSA-N -1 3 385.537 3.922 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC2(C1)CCCCCC2 ZINC000823065745 599202559 /nfs/dbraw/zinc/20/25/59/599202559.db2.gz AVSLHNNBVVJFOU-UHFFFAOYSA-N -1 3 385.537 3.922 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821161009 599211463 /nfs/dbraw/zinc/21/14/63/599211463.db2.gz SVSVEQOFZIDIJR-LJQANCHMSA-N -1 3 381.455 3.735 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821161009 599211464 /nfs/dbraw/zinc/21/14/64/599211464.db2.gz SVSVEQOFZIDIJR-LJQANCHMSA-N -1 3 381.455 3.735 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccccc3-c3nnn[n-]3)ccc2o1 ZINC000821669134 599223005 /nfs/dbraw/zinc/22/30/05/599223005.db2.gz ZECJDNASJBNUBY-UHFFFAOYSA-N -1 3 380.429 3.833 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccccc3-c3nn[n-]n3)ccc2o1 ZINC000821669134 599223006 /nfs/dbraw/zinc/22/30/06/599223006.db2.gz ZECJDNASJBNUBY-UHFFFAOYSA-N -1 3 380.429 3.833 20 0 GHADHM COc1ccc(-c2nnc(CS[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821732999 599225438 /nfs/dbraw/zinc/22/54/38/599225438.db2.gz XOEAGAGWWRCRBV-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2nnc(CS[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821732999 599225439 /nfs/dbraw/zinc/22/54/39/599225439.db2.gz XOEAGAGWWRCRBV-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc(Cl)cc1Br ZINC000822744267 607259781 /nfs/dbraw/zinc/25/97/81/607259781.db2.gz PQOVXTCTLIQJIG-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(Cl)cc1Br ZINC000822744267 607259782 /nfs/dbraw/zinc/25/97/82/607259782.db2.gz PQOVXTCTLIQJIG-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357689 607261725 /nfs/dbraw/zinc/26/17/25/607261725.db2.gz IRZUJRFIVNNGKW-ACJLOTCBSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357689 607261726 /nfs/dbraw/zinc/26/17/26/607261726.db2.gz IRZUJRFIVNNGKW-ACJLOTCBSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@H](CCSc1ccccc1)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820248856 607261738 /nfs/dbraw/zinc/26/17/38/607261738.db2.gz OMDFNGYYTVTWAE-LLVKDONJSA-N -1 3 390.415 3.873 20 0 GHADHM C[C@H](CCSc1ccccc1)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820248856 607261739 /nfs/dbraw/zinc/26/17/39/607261739.db2.gz OMDFNGYYTVTWAE-LLVKDONJSA-N -1 3 390.415 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380061 599235328 /nfs/dbraw/zinc/23/53/28/599235328.db2.gz KNHRQVQIMGMTJN-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380061 599235329 /nfs/dbraw/zinc/23/53/29/599235329.db2.gz KNHRQVQIMGMTJN-SNVBAGLBSA-N -1 3 376.342 3.768 20 0 GHADHM Cc1c(NC(=O)CCc2ccc(Br)cc2)cccc1-c1nnn[n-]1 ZINC000822065975 607266339 /nfs/dbraw/zinc/26/63/39/607266339.db2.gz CSCUTBANTHMQDM-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1c(NC(=O)CCc2ccc(Br)cc2)cccc1-c1nn[n-]n1 ZINC000822065975 607266340 /nfs/dbraw/zinc/26/63/40/607266340.db2.gz CSCUTBANTHMQDM-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM c1nn(-c2ccccc2)cc1-c1csc(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823771673 599237997 /nfs/dbraw/zinc/23/79/97/599237997.db2.gz BVQMCOWAQRSCEB-UHFFFAOYSA-N -1 3 386.444 3.920 20 0 GHADHM Cc1c(NC(=O)CCC(=O)c2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000822068407 607267363 /nfs/dbraw/zinc/26/73/63/607267363.db2.gz RJOJOFLZCODVSX-UHFFFAOYSA-N -1 3 385.427 3.930 20 0 GHADHM Cc1c(NC(=O)CCC(=O)c2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000822068407 607267364 /nfs/dbraw/zinc/26/73/64/607267364.db2.gz RJOJOFLZCODVSX-UHFFFAOYSA-N -1 3 385.427 3.930 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822424201 607267687 /nfs/dbraw/zinc/26/76/87/607267687.db2.gz TYZWQXONYRSPTC-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822424201 607267688 /nfs/dbraw/zinc/26/76/88/607267688.db2.gz TYZWQXONYRSPTC-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1c(NC(=O)c2ccc(Br)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822107624 607269978 /nfs/dbraw/zinc/26/99/78/607269978.db2.gz APSIEEXMYFDCNT-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2ccc(Br)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822107624 607269979 /nfs/dbraw/zinc/26/99/79/607269979.db2.gz APSIEEXMYFDCNT-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1nc(C)c(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000737474222 599242451 /nfs/dbraw/zinc/24/24/51/599242451.db2.gz PNKIUMSWNIJNDO-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(C)c(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000737474222 599242453 /nfs/dbraw/zinc/24/24/53/599242453.db2.gz PNKIUMSWNIJNDO-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000735904619 599248204 /nfs/dbraw/zinc/24/82/04/599248204.db2.gz SNEZNLWXPJQSEA-CQSZACIVSA-N -1 3 393.447 3.549 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000735904619 599248206 /nfs/dbraw/zinc/24/82/06/599248206.db2.gz SNEZNLWXPJQSEA-CQSZACIVSA-N -1 3 393.447 3.549 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccnc3ccccc23)s1 ZINC000736679259 599249200 /nfs/dbraw/zinc/24/92/00/599249200.db2.gz QBKGGLPIDHDRRP-FPLPWBNLSA-N -1 3 376.445 3.691 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccnc3ccccc23)s1 ZINC000736679259 599249202 /nfs/dbraw/zinc/24/92/02/599249202.db2.gz QBKGGLPIDHDRRP-FPLPWBNLSA-N -1 3 376.445 3.691 20 0 GHADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000821422178 599249705 /nfs/dbraw/zinc/24/97/05/599249705.db2.gz RDVQDFJMUGNHNH-ZDUSSCGKSA-N -1 3 396.451 3.547 20 0 GHADHM CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000821422178 599249706 /nfs/dbraw/zinc/24/97/06/599249706.db2.gz RDVQDFJMUGNHNH-ZDUSSCGKSA-N -1 3 396.451 3.547 20 0 GHADHM Cc1c(NC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)cccc1-c1nnn[n-]1 ZINC000822077823 607288107 /nfs/dbraw/zinc/28/81/07/607288107.db2.gz YSZDFJFPAQZXRD-BDVYOWHSSA-N -1 3 398.511 3.767 20 0 GHADHM Cc1c(NC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)cccc1-c1nn[n-]n1 ZINC000822077823 607288108 /nfs/dbraw/zinc/28/81/08/607288108.db2.gz YSZDFJFPAQZXRD-BDVYOWHSSA-N -1 3 398.511 3.767 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821109216 607290266 /nfs/dbraw/zinc/29/02/66/607290266.db2.gz CTYJPGOWRIUUDO-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821109216 607290267 /nfs/dbraw/zinc/29/02/67/607290267.db2.gz CTYJPGOWRIUUDO-UHFFFAOYSA-N -1 3 380.452 3.628 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380268 599259307 /nfs/dbraw/zinc/25/93/07/599259307.db2.gz OUBKRLUDXOXYAR-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380268 599259309 /nfs/dbraw/zinc/25/93/09/599259309.db2.gz OUBKRLUDXOXYAR-LLVKDONJSA-N -1 3 390.369 3.854 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737261975 599259362 /nfs/dbraw/zinc/25/93/62/599259362.db2.gz BEEAFGQFLOEJMT-ZDUSSCGKSA-N -1 3 397.866 3.575 20 0 GHADHM CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000736509396 599259836 /nfs/dbraw/zinc/25/98/36/599259836.db2.gz XKTXLTVCSSSXFL-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822242455 607298354 /nfs/dbraw/zinc/29/83/54/607298354.db2.gz LOUZHEANNOWGRB-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822242455 607298355 /nfs/dbraw/zinc/29/83/55/607298355.db2.gz LOUZHEANNOWGRB-UHFFFAOYSA-N -1 3 398.854 3.576 20 0 GHADHM CCCOc1cccc(CC(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134603 607308589 /nfs/dbraw/zinc/30/85/89/607308589.db2.gz ZFUCTYJTFHGPBI-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM CCCOc1cccc(CC(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134603 607308590 /nfs/dbraw/zinc/30/85/90/607308590.db2.gz ZFUCTYJTFHGPBI-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM CCCOc1cccc(CC(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134601 607308827 /nfs/dbraw/zinc/30/88/27/607308827.db2.gz ZFUCTYJTFHGPBI-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM CCCOc1cccc(CC(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134601 607308828 /nfs/dbraw/zinc/30/88/28/607308828.db2.gz ZFUCTYJTFHGPBI-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM CC(C)c1nc2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc2s1 ZINC000820206548 607314082 /nfs/dbraw/zinc/31/40/82/607314082.db2.gz PTEVEJBIIZJRHJ-UHFFFAOYSA-N -1 3 390.476 3.860 20 0 GHADHM CC(C)c1nc2ccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)cc2s1 ZINC000820206548 607314083 /nfs/dbraw/zinc/31/40/83/607314083.db2.gz PTEVEJBIIZJRHJ-UHFFFAOYSA-N -1 3 390.476 3.860 20 0 GHADHM COc1ccc(CNc2cccc(OCc3cscn3)c2)cc1-c1nnn[n-]1 ZINC000821824853 607316198 /nfs/dbraw/zinc/31/61/98/607316198.db2.gz OXLMEAMILSHHLF-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(CNc2cccc(OCc3cscn3)c2)cc1-c1nn[n-]n1 ZINC000821824853 607316199 /nfs/dbraw/zinc/31/61/99/607316199.db2.gz OXLMEAMILSHHLF-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821614362 607316744 /nfs/dbraw/zinc/31/67/44/607316744.db2.gz BXIJAEGQUAXSNV-UHFFFAOYSA-N -1 3 397.533 3.629 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821614362 607316745 /nfs/dbraw/zinc/31/67/45/607316745.db2.gz BXIJAEGQUAXSNV-UHFFFAOYSA-N -1 3 397.533 3.629 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@H]3CSc4ccccc43)c2c1 ZINC000737645425 599269826 /nfs/dbraw/zinc/26/98/26/599269826.db2.gz XSPVXSLEYRXKRA-AWEZNQCLSA-N -1 3 382.399 3.952 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@H]3CSc4ccccc43)c2c1 ZINC000737645425 599269828 /nfs/dbraw/zinc/26/98/28/599269828.db2.gz XSPVXSLEYRXKRA-AWEZNQCLSA-N -1 3 382.399 3.952 20 0 GHADHM CC(C)CCc1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820081665 599270932 /nfs/dbraw/zinc/27/09/32/599270932.db2.gz PZXBZSRRAQQVBC-UHFFFAOYSA-N -1 3 394.479 3.656 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000821761661 599272021 /nfs/dbraw/zinc/27/20/21/599272021.db2.gz DSYJTRBWJNALOJ-YOEHRIQHSA-N -1 3 392.463 3.533 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000821761661 599272023 /nfs/dbraw/zinc/27/20/23/599272023.db2.gz DSYJTRBWJNALOJ-YOEHRIQHSA-N -1 3 392.463 3.533 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000821763221 599275445 /nfs/dbraw/zinc/27/54/45/599275445.db2.gz WDIVNBZVQPASRQ-SJCJKPOMSA-N -1 3 396.426 3.629 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000821763221 599275448 /nfs/dbraw/zinc/27/54/48/599275448.db2.gz WDIVNBZVQPASRQ-SJCJKPOMSA-N -1 3 396.426 3.629 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820741566 599276445 /nfs/dbraw/zinc/27/64/45/599276445.db2.gz DKCOICXUSHBMTE-BBRMVZONSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820741566 599276446 /nfs/dbraw/zinc/27/64/46/599276446.db2.gz DKCOICXUSHBMTE-BBRMVZONSA-N -1 3 380.427 3.663 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821970004 599277829 /nfs/dbraw/zinc/27/78/29/599277829.db2.gz IONMDVICWMVUNE-ZDUSSCGKSA-N -1 3 382.493 3.655 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821970004 599277831 /nfs/dbraw/zinc/27/78/31/599277831.db2.gz IONMDVICWMVUNE-ZDUSSCGKSA-N -1 3 382.493 3.655 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C)cc1 ZINC000736488421 599279063 /nfs/dbraw/zinc/27/90/63/599279063.db2.gz OYMCASZYPHLBBU-UHFFFAOYSA-N -1 3 382.493 3.728 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821839538 599282128 /nfs/dbraw/zinc/28/21/28/599282128.db2.gz WDHPUSJWSSKIJU-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821839538 599282130 /nfs/dbraw/zinc/28/21/30/599282130.db2.gz WDHPUSJWSSKIJU-CYBMUJFWSA-N -1 3 396.451 3.545 20 0 GHADHM O=C(Nc1ncc(Cl)s1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738207665 599282205 /nfs/dbraw/zinc/28/22/05/599282205.db2.gz LXVUINNQWUOYTM-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ncc(Cl)s1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738207665 599282207 /nfs/dbraw/zinc/28/22/07/599282207.db2.gz LXVUINNQWUOYTM-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820301409 599285384 /nfs/dbraw/zinc/28/53/84/599285384.db2.gz XRDTUQQHUFVYNV-VIFPVBQESA-N -1 3 396.398 3.700 20 0 GHADHM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820301409 599285386 /nfs/dbraw/zinc/28/53/86/599285386.db2.gz XRDTUQQHUFVYNV-VIFPVBQESA-N -1 3 396.398 3.700 20 0 GHADHM CCSCc1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821461550 599284085 /nfs/dbraw/zinc/28/40/85/599284085.db2.gz QGZQEGPPZLLICE-UHFFFAOYSA-N -1 3 382.493 3.784 20 0 GHADHM CCSCc1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461550 599284087 /nfs/dbraw/zinc/28/40/87/599284087.db2.gz QGZQEGPPZLLICE-UHFFFAOYSA-N -1 3 382.493 3.784 20 0 GHADHM Cc1c(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822116055 607321929 /nfs/dbraw/zinc/32/19/29/607321929.db2.gz LPYUZRWMFOZYTJ-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM Cc1c(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822116055 607321930 /nfs/dbraw/zinc/32/19/30/607321930.db2.gz LPYUZRWMFOZYTJ-UHFFFAOYSA-N -1 3 398.348 3.994 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819608 599291457 /nfs/dbraw/zinc/29/14/57/599291457.db2.gz ZKSZHNNQFNGDSG-QGZVFWFLSA-N -1 3 379.489 3.745 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819608 599291459 /nfs/dbraw/zinc/29/14/59/599291459.db2.gz ZKSZHNNQFNGDSG-QGZVFWFLSA-N -1 3 379.489 3.745 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(F)cc3-c3nnn[n-]3)cc2)n1 ZINC000822197747 607328675 /nfs/dbraw/zinc/32/86/75/607328675.db2.gz NOWNEXGXQRIKFU-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(F)cc3-c3nn[n-]n3)cc2)n1 ZINC000822197747 607328676 /nfs/dbraw/zinc/32/86/76/607328676.db2.gz NOWNEXGXQRIKFU-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Fc1cccc(Sc2nnc(NC3CCCCC3)s2)c1-c1nnn[n-]1 ZINC000737665553 598236450 /nfs/dbraw/zinc/23/64/50/598236450.db2.gz RWMWQAWUHHUESG-UHFFFAOYSA-N -1 3 377.474 3.753 20 0 GHADHM Fc1cccc(Nc2ccc(N3CCc4sccc4C3)nc2)c1-c1nnn[n-]1 ZINC000737663479 598237415 /nfs/dbraw/zinc/23/74/15/598237415.db2.gz IRAPMIFQSDHJMD-UHFFFAOYSA-N -1 3 393.451 3.769 20 0 GHADHM Fc1cccc(Nc2ccc(N3CCc4sccc4C3)nc2)c1-c1nn[n-]n1 ZINC000737663479 598237417 /nfs/dbraw/zinc/23/74/17/598237417.db2.gz IRAPMIFQSDHJMD-UHFFFAOYSA-N -1 3 393.451 3.769 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cccc(OCc2ccccn2)c1 ZINC000737643878 598238382 /nfs/dbraw/zinc/23/83/82/598238382.db2.gz HHCGBVOFCWOPRL-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923938 598239291 /nfs/dbraw/zinc/23/92/91/598239291.db2.gz ZHRFGIJHAYMDOW-UHFFFAOYSA-N -1 3 377.492 3.974 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923938 598239292 /nfs/dbraw/zinc/23/92/92/598239292.db2.gz ZHRFGIJHAYMDOW-UHFFFAOYSA-N -1 3 377.492 3.974 20 0 GHADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736198674 598251313 /nfs/dbraw/zinc/25/13/13/598251313.db2.gz KANNBGNDKXKLBD-ZDUSSCGKSA-N -1 3 386.862 3.542 20 0 GHADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736198674 598251314 /nfs/dbraw/zinc/25/13/14/598251314.db2.gz KANNBGNDKXKLBD-ZDUSSCGKSA-N -1 3 386.862 3.542 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738178223 598256626 /nfs/dbraw/zinc/25/66/26/598256626.db2.gz HTZOYZHTGMCLGQ-SFHVURJKSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738178223 598256628 /nfs/dbraw/zinc/25/66/28/598256628.db2.gz HTZOYZHTGMCLGQ-SFHVURJKSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC(C1CC1)C1CC1 ZINC000738184313 598268181 /nfs/dbraw/zinc/26/81/81/598268181.db2.gz OOJRXAPJYHRBCL-UHFFFAOYSA-N -1 3 390.447 3.969 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC(C1CC1)C1CC1 ZINC000738184313 598268182 /nfs/dbraw/zinc/26/81/82/598268182.db2.gz OOJRXAPJYHRBCL-UHFFFAOYSA-N -1 3 390.447 3.969 20 0 GHADHM Cc1nc(-c2ccncc2)nc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000737464803 598275526 /nfs/dbraw/zinc/27/55/26/598275526.db2.gz YQKNRLBYXQVTOM-UHFFFAOYSA-N -1 3 379.811 3.781 20 0 GHADHM Cc1nc(-c2ccncc2)nc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000737464803 598275527 /nfs/dbraw/zinc/27/55/27/598275527.db2.gz YQKNRLBYXQVTOM-UHFFFAOYSA-N -1 3 379.811 3.781 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000735660665 598275985 /nfs/dbraw/zinc/27/59/85/598275985.db2.gz NUYDBHPDFTUKPN-QGZVFWFLSA-N -1 3 379.468 3.696 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000735660665 598275987 /nfs/dbraw/zinc/27/59/87/598275987.db2.gz NUYDBHPDFTUKPN-QGZVFWFLSA-N -1 3 379.468 3.696 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000735661856 598276606 /nfs/dbraw/zinc/27/66/06/598276606.db2.gz XLSVWVHDGMGKCP-CYBMUJFWSA-N -1 3 385.497 3.854 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000735661856 598276608 /nfs/dbraw/zinc/27/66/08/598276608.db2.gz XLSVWVHDGMGKCP-CYBMUJFWSA-N -1 3 385.497 3.854 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737319607 598278620 /nfs/dbraw/zinc/27/86/20/598278620.db2.gz FSYCAZKORBEWNY-AWEZNQCLSA-N -1 3 381.484 3.957 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737319607 598278621 /nfs/dbraw/zinc/27/86/21/598278621.db2.gz FSYCAZKORBEWNY-AWEZNQCLSA-N -1 3 381.484 3.957 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735639419 598295283 /nfs/dbraw/zinc/29/52/83/598295283.db2.gz GIBVSJVIYCSUDJ-UHFFFAOYSA-N -1 3 396.520 3.668 20 0 GHADHM CC(C)(C)OCc1cccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735639419 598295284 /nfs/dbraw/zinc/29/52/84/598295284.db2.gz GIBVSJVIYCSUDJ-UHFFFAOYSA-N -1 3 396.520 3.668 20 0 GHADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000736019442 598296760 /nfs/dbraw/zinc/29/67/60/598296760.db2.gz FMDIRSGGVGOXHE-SNVBAGLBSA-N -1 3 376.247 3.707 20 0 GHADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000736019442 598296761 /nfs/dbraw/zinc/29/67/61/598296761.db2.gz FMDIRSGGVGOXHE-SNVBAGLBSA-N -1 3 376.247 3.707 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737316799 598300163 /nfs/dbraw/zinc/30/01/63/598300163.db2.gz FVMKDPGWZBAXGC-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737316799 598300165 /nfs/dbraw/zinc/30/01/65/598300165.db2.gz FVMKDPGWZBAXGC-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000738117916 598300830 /nfs/dbraw/zinc/30/08/30/598300830.db2.gz YUAQWHNINWLGQM-UHFFFAOYSA-N -1 3 396.454 3.759 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000738117916 598300833 /nfs/dbraw/zinc/30/08/33/598300833.db2.gz YUAQWHNINWLGQM-UHFFFAOYSA-N -1 3 396.454 3.759 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737203284 598310540 /nfs/dbraw/zinc/31/05/40/598310540.db2.gz SUMGOJZJBMBXBE-UHFFFAOYSA-N -1 3 385.786 3.990 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737203284 598310542 /nfs/dbraw/zinc/31/05/42/598310542.db2.gz SUMGOJZJBMBXBE-UHFFFAOYSA-N -1 3 385.786 3.990 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2n1C(F)F ZINC000736133223 598313580 /nfs/dbraw/zinc/31/35/80/598313580.db2.gz GGVCLBLHZVJTSB-SNVBAGLBSA-N -1 3 387.369 3.601 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2n1C(F)F ZINC000736133223 598313581 /nfs/dbraw/zinc/31/35/81/598313581.db2.gz GGVCLBLHZVJTSB-SNVBAGLBSA-N -1 3 387.369 3.601 20 0 GHADHM c1ccc(-n2nc(CSCc3cccc(-c4nnn[n-]4)c3)c3c2CCC3)cc1 ZINC000738425129 598314648 /nfs/dbraw/zinc/31/46/48/598314648.db2.gz KRYONHSZXUTKSR-UHFFFAOYSA-N -1 3 388.500 3.975 20 0 GHADHM c1ccc(-n2nc(CSCc3cccc(-c4nn[n-]n4)c3)c3c2CCC3)cc1 ZINC000738425129 598314650 /nfs/dbraw/zinc/31/46/50/598314650.db2.gz KRYONHSZXUTKSR-UHFFFAOYSA-N -1 3 388.500 3.975 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)N[C@H](C)c1cccs1 ZINC000736482330 598320030 /nfs/dbraw/zinc/32/00/30/598320030.db2.gz ZKNPUDUGGPPCBK-CYBMUJFWSA-N -1 3 386.550 3.776 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)N[C@H](C)c1cccs1 ZINC000736482330 598320032 /nfs/dbraw/zinc/32/00/32/598320032.db2.gz ZKNPUDUGGPPCBK-CYBMUJFWSA-N -1 3 386.550 3.776 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000735912410 598321596 /nfs/dbraw/zinc/32/15/96/598321596.db2.gz BUXMMJZOAOVGLR-UHFFFAOYSA-N -1 3 389.872 3.511 20 0 GHADHM CC(C)Oc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000735912410 598321598 /nfs/dbraw/zinc/32/15/98/598321598.db2.gz BUXMMJZOAOVGLR-UHFFFAOYSA-N -1 3 389.872 3.511 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736170193 598359770 /nfs/dbraw/zinc/35/97/70/598359770.db2.gz OLAMHISBZAREGQ-QWHCGFSZSA-N -1 3 393.472 3.726 20 0 GHADHM Cc1cccc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000737392519 598365808 /nfs/dbraw/zinc/36/58/08/598365808.db2.gz XNISFYYUXPCXLI-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM COc1ccc(CCC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737087485 598388501 /nfs/dbraw/zinc/38/85/01/598388501.db2.gz HTSKCKCOXYDLDU-UHFFFAOYSA-N -1 3 398.898 3.773 20 0 GHADHM COc1ccc(CCC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737087485 598388502 /nfs/dbraw/zinc/38/85/02/598388502.db2.gz HTSKCKCOXYDLDU-UHFFFAOYSA-N -1 3 398.898 3.773 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(OC2CCCCC2)nc1 ZINC000737557110 598393826 /nfs/dbraw/zinc/39/38/26/598393826.db2.gz BSYMEFGVBNRSFB-UHFFFAOYSA-N -1 3 385.859 3.634 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(OC2CCCCC2)nc1 ZINC000737557110 598393828 /nfs/dbraw/zinc/39/38/28/598393828.db2.gz BSYMEFGVBNRSFB-UHFFFAOYSA-N -1 3 385.859 3.634 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2cccc(-c3nnn[n-]3)c2)s1)c1ccccc1 ZINC000736396378 598399988 /nfs/dbraw/zinc/39/99/88/598399988.db2.gz MGXWIOGMNOTZAH-OAHLLOKOSA-N -1 3 391.460 3.512 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2cccc(-c3nn[n-]n3)c2)s1)c1ccccc1 ZINC000736396378 598399989 /nfs/dbraw/zinc/39/99/89/598399989.db2.gz MGXWIOGMNOTZAH-OAHLLOKOSA-N -1 3 391.460 3.512 20 0 GHADHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735582639 598414345 /nfs/dbraw/zinc/41/43/45/598414345.db2.gz MBPGAJNPGPIOTC-UHFFFAOYSA-N -1 3 376.338 3.769 20 0 GHADHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735582639 598414347 /nfs/dbraw/zinc/41/43/47/598414347.db2.gz MBPGAJNPGPIOTC-UHFFFAOYSA-N -1 3 376.338 3.769 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737152590 598421488 /nfs/dbraw/zinc/42/14/88/598421488.db2.gz KKDYUUHVBMKXJX-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737152590 598421490 /nfs/dbraw/zinc/42/14/90/598421490.db2.gz KKDYUUHVBMKXJX-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453624 598424535 /nfs/dbraw/zinc/42/45/35/598424535.db2.gz RPLPLPYHCCBVTB-OAHLLOKOSA-N -1 3 394.479 3.509 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453624 598424537 /nfs/dbraw/zinc/42/45/37/598424537.db2.gz RPLPLPYHCCBVTB-OAHLLOKOSA-N -1 3 394.479 3.509 20 0 GHADHM Cc1nc2ccc(NC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)cc2o1 ZINC000737486591 598426647 /nfs/dbraw/zinc/42/66/47/598426647.db2.gz DROBRXVMCPMZTL-UHFFFAOYSA-N -1 3 391.435 3.759 20 0 GHADHM Cc1nc2ccc(NC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)cc2o1 ZINC000737486591 598426649 /nfs/dbraw/zinc/42/66/49/598426649.db2.gz DROBRXVMCPMZTL-UHFFFAOYSA-N -1 3 391.435 3.759 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737141099 598428477 /nfs/dbraw/zinc/42/84/77/598428477.db2.gz GSKJSEXBBORNMW-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737141099 598428478 /nfs/dbraw/zinc/42/84/78/598428478.db2.gz GSKJSEXBBORNMW-HNNXBMFYSA-N -1 3 394.479 3.557 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C1=COCCC1 ZINC000738172459 598448055 /nfs/dbraw/zinc/44/80/55/598448055.db2.gz MDQQMZOKQPWQRO-UHFFFAOYSA-N -1 3 397.822 3.945 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C1=COCCC1 ZINC000738172459 598448056 /nfs/dbraw/zinc/44/80/56/598448056.db2.gz MDQQMZOKQPWQRO-UHFFFAOYSA-N -1 3 397.822 3.945 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nn[n-]n3)cc1)O[C@H](C)C2 ZINC000736636165 598467331 /nfs/dbraw/zinc/46/73/31/598467331.db2.gz PCXZBTJKVLRJHI-PUECVXPYSA-N -1 3 377.448 3.557 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000738150854 598472471 /nfs/dbraw/zinc/47/24/71/598472471.db2.gz KCOWTJJPZQPMOU-UHFFFAOYSA-N -1 3 383.843 3.764 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000738150854 598472472 /nfs/dbraw/zinc/47/24/72/598472472.db2.gz KCOWTJJPZQPMOU-UHFFFAOYSA-N -1 3 383.843 3.764 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735733898 598472836 /nfs/dbraw/zinc/47/28/36/598472836.db2.gz CUCHCGUPGWPUFH-GOSISDBHSA-N -1 3 382.489 3.868 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735733898 598472837 /nfs/dbraw/zinc/47/28/37/598472837.db2.gz CUCHCGUPGWPUFH-GOSISDBHSA-N -1 3 382.489 3.868 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737089927 598473189 /nfs/dbraw/zinc/47/31/89/598473189.db2.gz ZSJMLUVSUSMCSH-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737089927 598473191 /nfs/dbraw/zinc/47/31/91/598473191.db2.gz ZSJMLUVSUSMCSH-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735914790 598475840 /nfs/dbraw/zinc/47/58/40/598475840.db2.gz JLAWGNSEODZHNK-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735914790 598475842 /nfs/dbraw/zinc/47/58/42/598475842.db2.gz JLAWGNSEODZHNK-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736820467 598476500 /nfs/dbraw/zinc/47/65/00/598476500.db2.gz MKNBZAVYHUSNSV-UHFFFAOYSA-N -1 3 390.419 3.845 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736820467 598476501 /nfs/dbraw/zinc/47/65/01/598476501.db2.gz MKNBZAVYHUSNSV-UHFFFAOYSA-N -1 3 390.419 3.845 20 0 GHADHM O=C(COC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415712 607358232 /nfs/dbraw/zinc/35/82/32/607358232.db2.gz PIOUEIVDLUIENE-UHFFFAOYSA-N -1 3 397.394 3.541 20 0 GHADHM O=C(COC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415712 607358234 /nfs/dbraw/zinc/35/82/34/607358234.db2.gz PIOUEIVDLUIENE-UHFFFAOYSA-N -1 3 397.394 3.541 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)s1 ZINC000737245350 598478224 /nfs/dbraw/zinc/47/82/24/598478224.db2.gz NMIRSOKAVIZMDP-CYBMUJFWSA-N -1 3 396.520 3.980 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)s1 ZINC000737245350 598478226 /nfs/dbraw/zinc/47/82/26/598478226.db2.gz NMIRSOKAVIZMDP-CYBMUJFWSA-N -1 3 396.520 3.980 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736650706 598486505 /nfs/dbraw/zinc/48/65/05/598486505.db2.gz IFZBTDKQYCUDMP-CYBMUJFWSA-N -1 3 384.461 3.662 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736650706 598486508 /nfs/dbraw/zinc/48/65/08/598486508.db2.gz IFZBTDKQYCUDMP-CYBMUJFWSA-N -1 3 384.461 3.662 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000735660173 598489312 /nfs/dbraw/zinc/48/93/12/598489312.db2.gz JEFCCSRTRHMCKR-UHFFFAOYSA-N -1 3 397.870 3.670 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000735660173 598489313 /nfs/dbraw/zinc/48/93/13/598489313.db2.gz JEFCCSRTRHMCKR-UHFFFAOYSA-N -1 3 397.870 3.670 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155112 598490815 /nfs/dbraw/zinc/49/08/15/598490815.db2.gz HKAHEUYPNKTPKL-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155112 598490817 /nfs/dbraw/zinc/49/08/17/598490817.db2.gz HKAHEUYPNKTPKL-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737824642 598493511 /nfs/dbraw/zinc/49/35/11/598493511.db2.gz YOEKFDTVGHQIHJ-IBGZPJMESA-N -1 3 387.487 3.868 20 0 GHADHM O=C(C[C@@H]1CCCc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737824642 598493513 /nfs/dbraw/zinc/49/35/13/598493513.db2.gz YOEKFDTVGHQIHJ-IBGZPJMESA-N -1 3 387.487 3.868 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCCCCc1ccccc1 ZINC000737933673 598496339 /nfs/dbraw/zinc/49/63/39/598496339.db2.gz YWAMBZJRQATBKX-UHFFFAOYSA-N -1 3 395.532 3.629 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCCCCc1ccccc1 ZINC000737933673 598496340 /nfs/dbraw/zinc/49/63/40/598496340.db2.gz YWAMBZJRQATBKX-UHFFFAOYSA-N -1 3 395.532 3.629 20 0 GHADHM CCc1c(C)sc(NC(=O)C(F)(F)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000736670377 598514122 /nfs/dbraw/zinc/51/41/22/598514122.db2.gz OBMOJDSAQCYFKW-UHFFFAOYSA-N -1 3 381.383 3.669 20 0 GHADHM CCc1c(C)sc(NC(=O)C(F)(F)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000736670377 598514124 /nfs/dbraw/zinc/51/41/24/598514124.db2.gz OBMOJDSAQCYFKW-UHFFFAOYSA-N -1 3 381.383 3.669 20 0 GHADHM CCc1c(C)sc(NC(=O)c2sc(C(C)C)nc2C)c1-c1nnn[n-]1 ZINC000736679374 598516506 /nfs/dbraw/zinc/51/65/06/598516506.db2.gz SIDBDEDESUQSHY-UHFFFAOYSA-N -1 3 376.511 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)c2sc(C(C)C)nc2C)c1-c1nn[n-]n1 ZINC000736679374 598516508 /nfs/dbraw/zinc/51/65/08/598516508.db2.gz SIDBDEDESUQSHY-UHFFFAOYSA-N -1 3 376.511 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000736676302 598517389 /nfs/dbraw/zinc/51/73/89/598517389.db2.gz RAEDXCYQWOUPER-UHFFFAOYSA-N -1 3 393.419 3.582 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000736676302 598517391 /nfs/dbraw/zinc/51/73/91/598517391.db2.gz RAEDXCYQWOUPER-UHFFFAOYSA-N -1 3 393.419 3.582 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000736675223 598518431 /nfs/dbraw/zinc/51/84/31/598518431.db2.gz GVLMCHZAQPSLIM-UHFFFAOYSA-N -1 3 397.382 3.950 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000736675223 598518433 /nfs/dbraw/zinc/51/84/33/598518433.db2.gz GVLMCHZAQPSLIM-UHFFFAOYSA-N -1 3 397.382 3.950 20 0 GHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796535 598519033 /nfs/dbraw/zinc/51/90/33/598519033.db2.gz DCRJIMYBQBPYGX-AEFFLSMTSA-N -1 3 387.553 3.821 20 0 GHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796535 598519035 /nfs/dbraw/zinc/51/90/35/598519035.db2.gz DCRJIMYBQBPYGX-AEFFLSMTSA-N -1 3 387.553 3.821 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736352671 598534475 /nfs/dbraw/zinc/53/44/75/598534475.db2.gz UXGZGZOVIVHBQA-LJQANCHMSA-N -1 3 390.491 3.562 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736352671 598534477 /nfs/dbraw/zinc/53/44/77/598534477.db2.gz UXGZGZOVIVHBQA-LJQANCHMSA-N -1 3 390.491 3.562 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736169846 598537164 /nfs/dbraw/zinc/53/71/64/598537164.db2.gz PWCWDNBHUUDHDO-PIGZYNQJSA-N -1 3 384.823 3.518 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737813963 598543931 /nfs/dbraw/zinc/54/39/31/598543931.db2.gz MKABZYMPFUAXEB-OAHLLOKOSA-N -1 3 375.432 3.741 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737813963 598543933 /nfs/dbraw/zinc/54/39/33/598543933.db2.gz MKABZYMPFUAXEB-OAHLLOKOSA-N -1 3 375.432 3.741 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737071158 598554644 /nfs/dbraw/zinc/55/46/44/598554644.db2.gz FDENLMUDOOYZKI-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737071158 598554645 /nfs/dbraw/zinc/55/46/45/598554645.db2.gz FDENLMUDOOYZKI-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735839589 598554880 /nfs/dbraw/zinc/55/48/80/598554880.db2.gz ZIAACGQOAURPSR-AWEZNQCLSA-N -1 3 381.436 3.659 20 0 GHADHM CC(C)CO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735839589 598554881 /nfs/dbraw/zinc/55/48/81/598554881.db2.gz ZIAACGQOAURPSR-AWEZNQCLSA-N -1 3 381.436 3.659 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC[C@H]1C[C@H]1C ZINC000737280283 598559170 /nfs/dbraw/zinc/55/91/70/598559170.db2.gz PGBAEWAVWSUNKU-CXAGYDPISA-N -1 3 392.463 3.532 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC[C@H]1C[C@H]1C ZINC000737280283 598559171 /nfs/dbraw/zinc/55/91/71/598559171.db2.gz PGBAEWAVWSUNKU-CXAGYDPISA-N -1 3 392.463 3.532 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503240 598568033 /nfs/dbraw/zinc/56/80/33/598568033.db2.gz UQSFQFCIBWXEIP-AFAVFJNCSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503240 598568035 /nfs/dbraw/zinc/56/80/35/598568035.db2.gz UQSFQFCIBWXEIP-AFAVFJNCSA-N -1 3 397.429 3.858 20 0 GHADHM CCC(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000736309804 598574419 /nfs/dbraw/zinc/57/44/19/598574419.db2.gz ROJJRVISDKPGTF-UHFFFAOYSA-N -1 3 390.369 3.846 20 0 GHADHM CCC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000736309804 598574421 /nfs/dbraw/zinc/57/44/21/598574421.db2.gz ROJJRVISDKPGTF-UHFFFAOYSA-N -1 3 390.369 3.846 20 0 GHADHM CC(C)Oc1ncccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735913868 598574652 /nfs/dbraw/zinc/57/46/52/598574652.db2.gz LXSNOZTYNCFUQJ-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ncccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735913868 598574653 /nfs/dbraw/zinc/57/46/53/598574653.db2.gz LXSNOZTYNCFUQJ-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737096341 598576434 /nfs/dbraw/zinc/57/64/34/598576434.db2.gz TZLYVOUPFPEGCJ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737096341 598576436 /nfs/dbraw/zinc/57/64/36/598576436.db2.gz TZLYVOUPFPEGCJ-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM Cc1nc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc2ccccc12 ZINC000737478606 598579007 /nfs/dbraw/zinc/57/90/07/598579007.db2.gz WUPZUDHYICDTMT-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM Cc1nc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc2ccccc12 ZINC000737478606 598579009 /nfs/dbraw/zinc/57/90/09/598579009.db2.gz WUPZUDHYICDTMT-UHFFFAOYSA-N -1 3 385.353 3.749 20 0 GHADHM Cc1cc(Br)cc2c1N(C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737230111 598582405 /nfs/dbraw/zinc/58/24/05/598582405.db2.gz DCSJJCSORDLGAU-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1cc(Br)cc2c1N(C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737230111 598582406 /nfs/dbraw/zinc/58/24/06/598582406.db2.gz DCSJJCSORDLGAU-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)c1cc[nH]c1 ZINC000738173374 598589644 /nfs/dbraw/zinc/58/96/44/598589644.db2.gz PMCCQSGHNHVLLB-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)c1cc[nH]c1 ZINC000738173374 598589646 /nfs/dbraw/zinc/58/96/46/598589646.db2.gz PMCCQSGHNHVLLB-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM Cc1nnc(NCC2(Sc3ccccc3)CCCC2)c(-c2nnn[n-]2)c1C ZINC000737521510 598594101 /nfs/dbraw/zinc/59/41/01/598594101.db2.gz POBHUXMCEDCAQY-UHFFFAOYSA-N -1 3 381.509 3.791 20 0 GHADHM Cc1nnc(NCC2(Sc3ccccc3)CCCC2)c(-c2nn[n-]n2)c1C ZINC000737521510 598594103 /nfs/dbraw/zinc/59/41/03/598594103.db2.gz POBHUXMCEDCAQY-UHFFFAOYSA-N -1 3 381.509 3.791 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737400905 598601501 /nfs/dbraw/zinc/60/15/01/598601501.db2.gz GQNJHDNQEORTMN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737400905 598601502 /nfs/dbraw/zinc/60/15/02/598601502.db2.gz GQNJHDNQEORTMN-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM c1ccc(COc2ccccc2-c2noc(-c3ccc(-c4nnn[n-]4)cn3)n2)cc1 ZINC000738432626 598611686 /nfs/dbraw/zinc/61/16/86/598611686.db2.gz KFDLBNYGQTYJEE-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2ccccc2-c2noc(-c3ccc(-c4nn[n-]n4)cn3)n2)cc1 ZINC000738432626 598611687 /nfs/dbraw/zinc/61/16/87/598611687.db2.gz KFDLBNYGQTYJEE-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cncc(COc2cccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)c2)c1 ZINC000738448318 598611747 /nfs/dbraw/zinc/61/17/47/598611747.db2.gz NZMNJAIJPKQOHK-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cncc(COc2cccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)c2)c1 ZINC000738448318 598611748 /nfs/dbraw/zinc/61/17/48/598611748.db2.gz NZMNJAIJPKQOHK-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(NCCc2ccccc2)cc1 ZINC000737961001 598612711 /nfs/dbraw/zinc/61/27/11/598612711.db2.gz LBCOTEJWCIKJJU-UHFFFAOYSA-N -1 3 398.470 3.703 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(NCCc2ccccc2)cc1 ZINC000737961001 598612712 /nfs/dbraw/zinc/61/27/12/598612712.db2.gz LBCOTEJWCIKJJU-UHFFFAOYSA-N -1 3 398.470 3.703 20 0 GHADHM O=C(NCCc1csc2ccccc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087491 598627959 /nfs/dbraw/zinc/62/79/59/598627959.db2.gz GVWOVENGWLVZRB-UHFFFAOYSA-N -1 3 382.424 3.585 20 0 GHADHM O=C(NCCc1csc2ccccc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087491 598627961 /nfs/dbraw/zinc/62/79/61/598627961.db2.gz GVWOVENGWLVZRB-UHFFFAOYSA-N -1 3 382.424 3.585 20 0 GHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736813582 598629123 /nfs/dbraw/zinc/62/91/23/598629123.db2.gz DNAAKDIXJHAHAG-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736813582 598629124 /nfs/dbraw/zinc/62/91/24/598629124.db2.gz DNAAKDIXJHAHAG-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736300571 598643361 /nfs/dbraw/zinc/64/33/61/598643361.db2.gz YUKHZXLMUXELJL-HWPZZCPQSA-N -1 3 384.896 3.740 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736300571 598643362 /nfs/dbraw/zinc/64/33/62/598643362.db2.gz YUKHZXLMUXELJL-HWPZZCPQSA-N -1 3 384.896 3.740 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736300574 598643415 /nfs/dbraw/zinc/64/34/15/598643415.db2.gz YUKHZXLMUXELJL-QLJPJBMISA-N -1 3 384.896 3.740 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736300574 598643417 /nfs/dbraw/zinc/64/34/17/598643417.db2.gz YUKHZXLMUXELJL-QLJPJBMISA-N -1 3 384.896 3.740 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737326484 598643683 /nfs/dbraw/zinc/64/36/83/598643683.db2.gz OOWHGLNGGXWSSY-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737326484 598643685 /nfs/dbraw/zinc/64/36/85/598643685.db2.gz OOWHGLNGGXWSSY-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM CCCOc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736492735 598645953 /nfs/dbraw/zinc/64/59/53/598645953.db2.gz NYJKSOHMVHLTOC-UHFFFAOYSA-N -1 3 395.463 3.843 20 0 GHADHM CCCOc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736492735 598645954 /nfs/dbraw/zinc/64/59/54/598645954.db2.gz NYJKSOHMVHLTOC-UHFFFAOYSA-N -1 3 395.463 3.843 20 0 GHADHM N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000103065644 598646886 /nfs/dbraw/zinc/64/68/86/598646886.db2.gz MDIFEQVFZJULJA-UHFFFAOYSA-N -1 3 382.383 3.783 20 0 GHADHM N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000103065644 598646888 /nfs/dbraw/zinc/64/68/88/598646888.db2.gz MDIFEQVFZJULJA-UHFFFAOYSA-N -1 3 382.383 3.783 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(-n2cccc2)c(F)c1 ZINC000738209295 598647415 /nfs/dbraw/zinc/64/74/15/598647415.db2.gz NIDMLWBVMXUROF-UHFFFAOYSA-N -1 3 394.435 3.599 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(-n2cccc2)c(F)c1 ZINC000738209295 598647417 /nfs/dbraw/zinc/64/74/17/598647417.db2.gz NIDMLWBVMXUROF-UHFFFAOYSA-N -1 3 394.435 3.599 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)CCC2 ZINC000737833229 598647543 /nfs/dbraw/zinc/64/75/43/598647543.db2.gz QQRFQNSTMNXVNR-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)CCC2 ZINC000737833229 598647545 /nfs/dbraw/zinc/64/75/45/598647545.db2.gz QQRFQNSTMNXVNR-UHFFFAOYSA-N -1 3 377.448 3.543 20 0 GHADHM C[C@H](CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735986627 598655568 /nfs/dbraw/zinc/65/55/68/598655568.db2.gz OSSMTAFINALTFX-QGZVFWFLSA-N -1 3 393.491 3.726 20 0 GHADHM C[C@H](CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735986627 598655570 /nfs/dbraw/zinc/65/55/70/598655570.db2.gz OSSMTAFINALTFX-QGZVFWFLSA-N -1 3 393.491 3.726 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000736731700 598656798 /nfs/dbraw/zinc/65/67/98/598656798.db2.gz FLTUMCBKMOVCFQ-HNNXBMFYSA-N -1 3 375.354 3.566 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000736731700 598656800 /nfs/dbraw/zinc/65/68/00/598656800.db2.gz FLTUMCBKMOVCFQ-HNNXBMFYSA-N -1 3 375.354 3.566 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736121913 598664674 /nfs/dbraw/zinc/66/46/74/598664674.db2.gz FTNPHCIICIGYFT-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736121913 598664676 /nfs/dbraw/zinc/66/46/76/598664676.db2.gz FTNPHCIICIGYFT-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735748046 598667223 /nfs/dbraw/zinc/66/72/23/598667223.db2.gz GWWOZAXQXDCWHY-LJQANCHMSA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735748046 598667225 /nfs/dbraw/zinc/66/72/25/598667225.db2.gz GWWOZAXQXDCWHY-LJQANCHMSA-N -1 3 377.448 3.920 20 0 GHADHM CCCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736470546 598668086 /nfs/dbraw/zinc/66/80/86/598668086.db2.gz ROQWPRDSTILOCD-CYBMUJFWSA-N -1 3 385.855 3.731 20 0 GHADHM CCCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736470546 598668088 /nfs/dbraw/zinc/66/80/88/598668088.db2.gz ROQWPRDSTILOCD-CYBMUJFWSA-N -1 3 385.855 3.731 20 0 GHADHM O=C(NC[C@@H]1CCc2ccccc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738052249 598668242 /nfs/dbraw/zinc/66/82/42/598668242.db2.gz SHYQRMKRSMNCJR-KRWDZBQOSA-N -1 3 395.466 3.994 20 0 GHADHM O=C(NC[C@@H]1CCc2ccccc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738052249 598668243 /nfs/dbraw/zinc/66/82/43/598668243.db2.gz SHYQRMKRSMNCJR-KRWDZBQOSA-N -1 3 395.466 3.994 20 0 GHADHM CC(C)c1ccc(SCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347887 607364975 /nfs/dbraw/zinc/36/49/75/607364975.db2.gz QTVGVADSVDDAGC-UHFFFAOYSA-N -1 3 396.472 3.508 20 0 GHADHM CC(C)c1ccc(SCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347887 607364977 /nfs/dbraw/zinc/36/49/77/607364977.db2.gz QTVGVADSVDDAGC-UHFFFAOYSA-N -1 3 396.472 3.508 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000736193968 598696085 /nfs/dbraw/zinc/69/60/85/598696085.db2.gz VTNVZPGCCKHDMK-SNVBAGLBSA-N -1 3 391.859 3.920 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1 ZINC000736193968 598696087 /nfs/dbraw/zinc/69/60/87/598696087.db2.gz VTNVZPGCCKHDMK-SNVBAGLBSA-N -1 3 391.859 3.920 20 0 GHADHM Cc1cccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737398611 598696504 /nfs/dbraw/zinc/69/65/04/598696504.db2.gz IRAVFECYCNKJPI-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cccc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737398611 598696506 /nfs/dbraw/zinc/69/65/06/598696506.db2.gz IRAVFECYCNKJPI-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737262113 598697718 /nfs/dbraw/zinc/69/77/18/598697718.db2.gz CFIFNQAJNNXUAU-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737262113 598697720 /nfs/dbraw/zinc/69/77/20/598697720.db2.gz CFIFNQAJNNXUAU-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1cc(C)c(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737248012 598697769 /nfs/dbraw/zinc/69/77/69/598697769.db2.gz CTGQBALYKSFVOZ-UHFFFAOYSA-N -1 3 385.468 3.803 20 0 GHADHM Cc1cc(C)c(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737248012 598697771 /nfs/dbraw/zinc/69/77/71/598697771.db2.gz CTGQBALYKSFVOZ-UHFFFAOYSA-N -1 3 385.468 3.803 20 0 GHADHM O=C(CCSc1ccccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737850224 598702271 /nfs/dbraw/zinc/70/22/71/598702271.db2.gz NTZJBYZKCQYBBE-UHFFFAOYSA-N -1 3 392.843 3.885 20 0 GHADHM O=C(CCSc1ccccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737850224 598702273 /nfs/dbraw/zinc/70/22/73/598702273.db2.gz NTZJBYZKCQYBBE-UHFFFAOYSA-N -1 3 392.843 3.885 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1C(F)(F)F ZINC000737946340 598715880 /nfs/dbraw/zinc/71/58/80/598715880.db2.gz BJEQXPOZCSHWCY-UHFFFAOYSA-N -1 3 394.378 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1C(F)(F)F ZINC000737946340 598715881 /nfs/dbraw/zinc/71/58/81/598715881.db2.gz BJEQXPOZCSHWCY-UHFFFAOYSA-N -1 3 394.378 3.721 20 0 GHADHM C[C@@H](CSc1ccccc1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736046771 598724735 /nfs/dbraw/zinc/72/47/35/598724735.db2.gz NDOFECHCUYWEDV-HNNXBMFYSA-N -1 3 398.488 3.607 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737291223 598725492 /nfs/dbraw/zinc/72/54/92/598725492.db2.gz JHQVFCCIKPTTKE-GOSISDBHSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000737291223 598725493 /nfs/dbraw/zinc/72/54/93/598725493.db2.gz JHQVFCCIKPTTKE-GOSISDBHSA-N -1 3 376.464 3.804 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000737933583 598755405 /nfs/dbraw/zinc/75/54/05/598755405.db2.gz XTSIJTFZBQNSMT-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000737933583 598755407 /nfs/dbraw/zinc/75/54/07/598755407.db2.gz XTSIJTFZBQNSMT-UHFFFAOYSA-N -1 3 399.907 3.559 20 0 GHADHM Cc1ccc(C)c(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737326135 598780766 /nfs/dbraw/zinc/78/07/66/598780766.db2.gz MEDWQSDFDXHHBZ-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1cccc(C)c1NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737390342 598780807 /nfs/dbraw/zinc/78/08/07/598780807.db2.gz PFIUGHPGNXYBRH-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM c1cc(COc2cccc(Nc3ccnc(C4CC4)n3)c2)cc(-c2nnn[n-]2)c1 ZINC000738420171 598786284 /nfs/dbraw/zinc/78/62/84/598786284.db2.gz XQAUWAFBULZTJQ-UHFFFAOYSA-N -1 3 385.431 3.857 20 0 GHADHM c1cc(COc2cccc(Nc3ccnc(C4CC4)n3)c2)cc(-c2nn[n-]n2)c1 ZINC000738420171 598786286 /nfs/dbraw/zinc/78/62/86/598786286.db2.gz XQAUWAFBULZTJQ-UHFFFAOYSA-N -1 3 385.431 3.857 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000738178809 598787830 /nfs/dbraw/zinc/78/78/30/598787830.db2.gz LHSSQEPNHJGMJZ-UHFFFAOYSA-N -1 3 398.426 3.621 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000738178809 598787831 /nfs/dbraw/zinc/78/78/31/598787831.db2.gz LHSSQEPNHJGMJZ-UHFFFAOYSA-N -1 3 398.426 3.621 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736829004 598788091 /nfs/dbraw/zinc/78/80/91/598788091.db2.gz URXJXOQPOWMIMX-UHFFFAOYSA-N -1 3 395.467 3.838 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736829004 598788092 /nfs/dbraw/zinc/78/80/92/598788092.db2.gz URXJXOQPOWMIMX-UHFFFAOYSA-N -1 3 395.467 3.838 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000736259680 598789684 /nfs/dbraw/zinc/78/96/84/598789684.db2.gz GBGGQPNNCXQURL-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000736259680 598789686 /nfs/dbraw/zinc/78/96/86/598789686.db2.gz GBGGQPNNCXQURL-DOMZBBRYSA-N -1 3 398.492 3.524 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735735988 598791047 /nfs/dbraw/zinc/79/10/47/598791047.db2.gz RBUFBWWBFYUEBB-HXUWFJFHSA-N -1 3 395.532 3.956 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735735988 598791048 /nfs/dbraw/zinc/79/10/48/598791048.db2.gz RBUFBWWBFYUEBB-HXUWFJFHSA-N -1 3 395.532 3.956 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000735633017 598796822 /nfs/dbraw/zinc/79/68/22/598796822.db2.gz KZWNBOROORRGBA-UHFFFAOYSA-N -1 3 393.451 3.693 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2cc(Nc3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000735633017 598796824 /nfs/dbraw/zinc/79/68/24/598796824.db2.gz KZWNBOROORRGBA-UHFFFAOYSA-N -1 3 393.451 3.693 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC/C=C/c1ccccc1 ZINC000735830478 598797798 /nfs/dbraw/zinc/79/77/98/598797798.db2.gz GTNCHWFQZBFFPL-RMKNXTFCSA-N -1 3 390.491 3.748 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC/C=C/c1ccccc1 ZINC000735830478 598797799 /nfs/dbraw/zinc/79/77/99/598797799.db2.gz GTNCHWFQZBFFPL-RMKNXTFCSA-N -1 3 390.491 3.748 20 0 GHADHM CCC[C@H](NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000736431767 598800308 /nfs/dbraw/zinc/80/03/08/598800308.db2.gz SSRBKADSXDRMCL-IBGZPJMESA-N -1 3 393.495 3.725 20 0 GHADHM CCC[C@H](NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000736431767 598800310 /nfs/dbraw/zinc/80/03/10/598800310.db2.gz SSRBKADSXDRMCL-IBGZPJMESA-N -1 3 393.495 3.725 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC/C=C/c1ccccc1 ZINC000735874980 598801483 /nfs/dbraw/zinc/80/14/83/598801483.db2.gz OICGLJKFJLZPPE-RMKNXTFCSA-N -1 3 376.464 3.500 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC/C=C/c1ccccc1 ZINC000735874980 598801485 /nfs/dbraw/zinc/80/14/85/598801485.db2.gz OICGLJKFJLZPPE-RMKNXTFCSA-N -1 3 376.464 3.500 20 0 GHADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737799768 598803962 /nfs/dbraw/zinc/80/39/62/598803962.db2.gz WNIRSNJDLKRKJH-JXMROGBWSA-N -1 3 392.419 3.781 20 0 GHADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737799768 598803963 /nfs/dbraw/zinc/80/39/63/598803963.db2.gz WNIRSNJDLKRKJH-JXMROGBWSA-N -1 3 392.419 3.781 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000735961231 598804787 /nfs/dbraw/zinc/80/47/87/598804787.db2.gz OJSNZEQDOLCQDE-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000735961231 598804788 /nfs/dbraw/zinc/80/47/88/598804788.db2.gz OJSNZEQDOLCQDE-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736422739 598822305 /nfs/dbraw/zinc/82/23/05/598822305.db2.gz OSLQFSWWCSHTNK-HXUWFJFHSA-N -1 3 399.539 3.838 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736422739 598822306 /nfs/dbraw/zinc/82/23/06/598822306.db2.gz OSLQFSWWCSHTNK-HXUWFJFHSA-N -1 3 399.539 3.838 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735736350 598822352 /nfs/dbraw/zinc/82/23/52/598822352.db2.gz SLQVHPFAFREFSO-IBGZPJMESA-N -1 3 383.883 3.918 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735736350 598822353 /nfs/dbraw/zinc/82/23/53/598822353.db2.gz SLQVHPFAFREFSO-IBGZPJMESA-N -1 3 383.883 3.918 20 0 GHADHM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820571291 599293475 /nfs/dbraw/zinc/29/34/75/599293475.db2.gz XNPJQXIFAKSJEK-SNVBAGLBSA-N -1 3 391.357 3.505 20 0 GHADHM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820571291 599293477 /nfs/dbraw/zinc/29/34/77/599293477.db2.gz XNPJQXIFAKSJEK-SNVBAGLBSA-N -1 3 391.357 3.505 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000820269701 599296300 /nfs/dbraw/zinc/29/63/00/599296300.db2.gz OEDNPBLYPVWQCV-GFCCVEGCSA-N -1 3 396.426 3.966 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000820269701 599296301 /nfs/dbraw/zinc/29/63/01/599296301.db2.gz OEDNPBLYPVWQCV-GFCCVEGCSA-N -1 3 396.426 3.966 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736301057 599303321 /nfs/dbraw/zinc/30/33/21/599303321.db2.gz KFHJCEGXODWMQX-HOEPNZITSA-N -1 3 391.500 3.585 20 0 GHADHM C[C@@H]1SCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000736301057 599303324 /nfs/dbraw/zinc/30/33/24/599303324.db2.gz KFHJCEGXODWMQX-HOEPNZITSA-N -1 3 391.500 3.585 20 0 GHADHM CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505012 599313454 /nfs/dbraw/zinc/31/34/54/599313454.db2.gz FXDLCZVPMWFEED-UHFFFAOYSA-N -1 3 381.484 3.608 20 0 GHADHM CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505012 599313457 /nfs/dbraw/zinc/31/34/57/599313457.db2.gz FXDLCZVPMWFEED-UHFFFAOYSA-N -1 3 381.484 3.608 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccc(C)cc2)no1 ZINC000736633616 599327935 /nfs/dbraw/zinc/32/79/35/599327935.db2.gz CEZLXOCXBOYPPA-UHFFFAOYSA-N -1 3 376.420 3.841 20 0 GHADHM C[C@@H](SCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188256 599330367 /nfs/dbraw/zinc/33/03/67/599330367.db2.gz JXTYCZFHJAVCEZ-UONOGXRCSA-N -1 3 379.489 3.639 20 0 GHADHM C[C@@H](SCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188256 599330371 /nfs/dbraw/zinc/33/03/71/599330371.db2.gz JXTYCZFHJAVCEZ-UONOGXRCSA-N -1 3 379.489 3.639 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000820198470 599339737 /nfs/dbraw/zinc/33/97/37/599339737.db2.gz XDOABVNOGAUUMV-UHFFFAOYSA-N -1 3 399.520 3.589 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000820198470 599339740 /nfs/dbraw/zinc/33/97/40/599339740.db2.gz XDOABVNOGAUUMV-UHFFFAOYSA-N -1 3 399.520 3.589 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820555462 599341686 /nfs/dbraw/zinc/34/16/86/599341686.db2.gz LKVCTCMHRRMRCS-CYBMUJFWSA-N -1 3 393.472 3.925 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820555462 599341688 /nfs/dbraw/zinc/34/16/88/599341688.db2.gz LKVCTCMHRRMRCS-CYBMUJFWSA-N -1 3 393.472 3.925 20 0 GHADHM CC(C)[C@H](CNC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820021810 599346695 /nfs/dbraw/zinc/34/66/95/599346695.db2.gz YXDSWRZXIAPGEX-KRWDZBQOSA-N -1 3 381.505 3.515 20 0 GHADHM CC(C)[C@H](CNC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820021810 599346696 /nfs/dbraw/zinc/34/66/96/599346696.db2.gz YXDSWRZXIAPGEX-KRWDZBQOSA-N -1 3 381.505 3.515 20 0 GHADHM Fc1ccccc1CSCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737671164 599397893 /nfs/dbraw/zinc/39/78/93/599397893.db2.gz ZPAOCVGCOPKZAS-UHFFFAOYSA-N -1 3 380.452 3.899 20 0 GHADHM Fc1ccccc1CSCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737671164 599397899 /nfs/dbraw/zinc/39/78/99/599397899.db2.gz ZPAOCVGCOPKZAS-UHFFFAOYSA-N -1 3 380.452 3.899 20 0 GHADHM c1ccc(COC2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738433871 599400766 /nfs/dbraw/zinc/40/07/66/599400766.db2.gz XNVWOFHLCHGTON-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM c1ccc(COC2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738433871 599400768 /nfs/dbraw/zinc/40/07/68/599400768.db2.gz XNVWOFHLCHGTON-UHFFFAOYSA-N -1 3 386.459 3.601 20 0 GHADHM C[C@H](NC(=O)NCCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364926 599409009 /nfs/dbraw/zinc/40/90/09/599409009.db2.gz GUUYTYVWXPNNRD-HNNXBMFYSA-N -1 3 392.507 3.767 20 0 GHADHM C[C@H](NC(=O)NCCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364926 599409011 /nfs/dbraw/zinc/40/90/11/599409011.db2.gz GUUYTYVWXPNNRD-HNNXBMFYSA-N -1 3 392.507 3.767 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820667065 599411527 /nfs/dbraw/zinc/41/15/27/599411527.db2.gz KVEOUGBQYWSGGU-PJSAGSTRSA-N -1 3 396.882 3.717 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000820667065 599411529 /nfs/dbraw/zinc/41/15/29/599411529.db2.gz KVEOUGBQYWSGGU-PJSAGSTRSA-N -1 3 396.882 3.717 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736325967 599411566 /nfs/dbraw/zinc/41/15/66/599411566.db2.gz LJJPMFYFIWXMJW-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736325967 599411568 /nfs/dbraw/zinc/41/15/68/599411568.db2.gz LJJPMFYFIWXMJW-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000736137384 599418504 /nfs/dbraw/zinc/41/85/04/599418504.db2.gz KCBLQFHNBQAPHA-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(N2CCCC2=O)c1 ZINC000736137384 599418508 /nfs/dbraw/zinc/41/85/08/599418508.db2.gz KCBLQFHNBQAPHA-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM Brc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000735368607 599419390 /nfs/dbraw/zinc/41/93/90/599419390.db2.gz NPPCHIIEHDGSFG-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000735368607 599419393 /nfs/dbraw/zinc/41/93/93/599419393.db2.gz NPPCHIIEHDGSFG-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820225595 599424030 /nfs/dbraw/zinc/42/40/30/599424030.db2.gz MHLGXNITLDUMKM-JKSUJKDBSA-N -1 3 392.507 3.983 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820225595 599424033 /nfs/dbraw/zinc/42/40/33/599424033.db2.gz MHLGXNITLDUMKM-JKSUJKDBSA-N -1 3 392.507 3.983 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822029200 599425875 /nfs/dbraw/zinc/42/58/75/599425875.db2.gz WBUDXTBWVUELNX-LBPRGKRZSA-N -1 3 394.410 3.621 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822029200 599425877 /nfs/dbraw/zinc/42/58/77/599425877.db2.gz WBUDXTBWVUELNX-LBPRGKRZSA-N -1 3 394.410 3.621 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc2ccccc2n1C(F)F ZINC000821752224 607377286 /nfs/dbraw/zinc/37/72/86/607377286.db2.gz JNECLTIDHWHZCJ-UHFFFAOYSA-N -1 3 388.403 3.912 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737054881 599439004 /nfs/dbraw/zinc/43/90/04/599439004.db2.gz YZVNVDKZNFTODM-NSHDSACASA-N -1 3 394.410 3.744 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737054881 599439006 /nfs/dbraw/zinc/43/90/06/599439006.db2.gz YZVNVDKZNFTODM-NSHDSACASA-N -1 3 394.410 3.744 20 0 GHADHM CN(C)[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736761852 599439213 /nfs/dbraw/zinc/43/92/13/599439213.db2.gz VAGLAXQPFYKYIP-HNNXBMFYSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736761852 599439215 /nfs/dbraw/zinc/43/92/15/599439215.db2.gz VAGLAXQPFYKYIP-HNNXBMFYSA-N -1 3 378.814 3.513 20 0 GHADHM Fc1cccc(N2CCC[C@@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)c1 ZINC000737659930 599439274 /nfs/dbraw/zinc/43/92/74/599439274.db2.gz FZZVXJMINBQPGK-OAHLLOKOSA-N -1 3 389.438 3.635 20 0 GHADHM Fc1cccc(N2CCC[C@@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)c1 ZINC000737659930 599439278 /nfs/dbraw/zinc/43/92/78/599439278.db2.gz FZZVXJMINBQPGK-OAHLLOKOSA-N -1 3 389.438 3.635 20 0 GHADHM CCCOc1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c(OCCC)c1 ZINC000821134409 599456289 /nfs/dbraw/zinc/45/62/89/599456289.db2.gz SVJJPDRSXNGIOK-UHFFFAOYSA-N -1 3 399.470 3.873 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC(C2CCCCC2)CC1 ZINC000823234871 599462726 /nfs/dbraw/zinc/46/27/26/599462726.db2.gz PJURCUFLVUEKER-UHFFFAOYSA-N -1 3 386.475 3.508 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC(C2CCCCC2)CC1 ZINC000823234871 599462729 /nfs/dbraw/zinc/46/27/29/599462729.db2.gz PJURCUFLVUEKER-UHFFFAOYSA-N -1 3 386.475 3.508 20 0 GHADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735671776 599465034 /nfs/dbraw/zinc/46/50/34/599465034.db2.gz HZBSBSKNEUAZAD-UHFFFAOYSA-N -1 3 397.454 3.606 20 0 GHADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735671776 599465036 /nfs/dbraw/zinc/46/50/36/599465036.db2.gz HZBSBSKNEUAZAD-UHFFFAOYSA-N -1 3 397.454 3.606 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000605656349 599469727 /nfs/dbraw/zinc/46/97/27/599469727.db2.gz WYFKQMJBOXEPGL-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1cccc(Nc2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000605656349 599469731 /nfs/dbraw/zinc/46/97/31/599469731.db2.gz WYFKQMJBOXEPGL-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482096 599481217 /nfs/dbraw/zinc/48/12/17/599481217.db2.gz PXZFBRXAYXVSRB-SUMWQHHRSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482096 599481218 /nfs/dbraw/zinc/48/12/18/599481218.db2.gz PXZFBRXAYXVSRB-SUMWQHHRSA-N -1 3 380.452 3.630 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350458 599482494 /nfs/dbraw/zinc/48/24/94/599482494.db2.gz DAJYUKGUXRZBHD-JTDSTZFVSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350458 599482496 /nfs/dbraw/zinc/48/24/96/599482496.db2.gz DAJYUKGUXRZBHD-JTDSTZFVSA-N -1 3 390.491 3.824 20 0 GHADHM Clc1ccc([C@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)cc1 ZINC000822574684 599488688 /nfs/dbraw/zinc/48/86/88/599488688.db2.gz XLITWUAZFKFKCB-OAHLLOKOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)cc1 ZINC000822574684 599488689 /nfs/dbraw/zinc/48/86/89/599488689.db2.gz XLITWUAZFKFKCB-OAHLLOKOSA-N -1 3 376.247 3.751 20 0 GHADHM COc1ccc2c(c1)CN(c1c(-c3nnn[n-]3)cnc3ccc(Cl)cc31)CC2 ZINC000821849702 599493804 /nfs/dbraw/zinc/49/38/04/599493804.db2.gz OUINPBIOUJCJTO-UHFFFAOYSA-N -1 3 392.850 3.640 20 0 GHADHM COc1ccc2c(c1)CN(c1c(-c3nn[n-]n3)cnc3ccc(Cl)cc31)CC2 ZINC000821849702 599493806 /nfs/dbraw/zinc/49/38/06/599493806.db2.gz OUINPBIOUJCJTO-UHFFFAOYSA-N -1 3 392.850 3.640 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820155281 599500770 /nfs/dbraw/zinc/50/07/70/599500770.db2.gz NCOMHTRNABIREK-GFCCVEGCSA-N -1 3 385.855 3.798 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820155281 599500773 /nfs/dbraw/zinc/50/07/73/599500773.db2.gz NCOMHTRNABIREK-GFCCVEGCSA-N -1 3 385.855 3.798 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@@H]1CC=CCC1 ZINC000738173901 599502248 /nfs/dbraw/zinc/50/22/48/599502248.db2.gz HEAHTCATKUGFGY-CQSZACIVSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@@H]1CC=CCC1 ZINC000738173901 599502252 /nfs/dbraw/zinc/50/22/52/599502252.db2.gz HEAHTCATKUGFGY-CQSZACIVSA-N -1 3 376.420 3.889 20 0 GHADHM C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820385090 599506970 /nfs/dbraw/zinc/50/69/70/599506970.db2.gz OZOOHCPXFILIDE-VIFPVBQESA-N -1 3 384.802 3.632 20 0 GHADHM C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820385090 599506971 /nfs/dbraw/zinc/50/69/71/599506971.db2.gz OZOOHCPXFILIDE-VIFPVBQESA-N -1 3 384.802 3.632 20 0 GHADHM Fc1ccc(Oc2cc(CNc3ccc(F)cc3-c3nnn[n-]3)ccn2)cc1 ZINC000822782924 599509441 /nfs/dbraw/zinc/50/94/41/599509441.db2.gz MCNSDNZAGDDQAN-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccc(Oc2cc(CNc3ccc(F)cc3-c3nn[n-]n3)ccn2)cc1 ZINC000822782924 599509444 /nfs/dbraw/zinc/50/94/44/599509444.db2.gz MCNSDNZAGDDQAN-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM CCN(c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821230461 599517897 /nfs/dbraw/zinc/51/78/97/599517897.db2.gz KWGZRQCXABNOKP-HNNXBMFYSA-N -1 3 378.480 3.592 20 0 GHADHM CCN(c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821230461 599517899 /nfs/dbraw/zinc/51/78/99/599517899.db2.gz KWGZRQCXABNOKP-HNNXBMFYSA-N -1 3 378.480 3.592 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822228760 599518449 /nfs/dbraw/zinc/51/84/49/599518449.db2.gz FCJOODACIKYPAP-HNNXBMFYSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822228760 599518451 /nfs/dbraw/zinc/51/84/51/599518451.db2.gz FCJOODACIKYPAP-HNNXBMFYSA-N -1 3 379.464 3.555 20 0 GHADHM C[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314009 599518740 /nfs/dbraw/zinc/51/87/40/599518740.db2.gz GTCSQSJEFKUFRG-MGPUTAFESA-N -1 3 391.475 3.744 20 0 GHADHM C[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314009 599518743 /nfs/dbraw/zinc/51/87/43/599518743.db2.gz GTCSQSJEFKUFRG-MGPUTAFESA-N -1 3 391.475 3.744 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820235965 607382088 /nfs/dbraw/zinc/38/20/88/607382088.db2.gz VQWIYBNIHOJUKH-ZBEGNZNMSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820235965 607382089 /nfs/dbraw/zinc/38/20/89/607382089.db2.gz VQWIYBNIHOJUKH-ZBEGNZNMSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000736289365 599522623 /nfs/dbraw/zinc/52/26/23/599522623.db2.gz LCXONAYIQKOISW-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396609 599524284 /nfs/dbraw/zinc/52/42/84/599524284.db2.gz HECLJFXKPKKUIP-CQSZACIVSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396609 599524286 /nfs/dbraw/zinc/52/42/86/599524286.db2.gz HECLJFXKPKKUIP-CQSZACIVSA-N -1 3 377.448 3.679 20 0 GHADHM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC000736490290 599524559 /nfs/dbraw/zinc/52/45/59/599524559.db2.gz KOJMEUXODBMHSE-UHFFFAOYSA-N -1 3 378.358 3.681 20 0 GHADHM Cc1cc(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000822210840 599535081 /nfs/dbraw/zinc/53/50/81/599535081.db2.gz SVNWYEJBIDAMSX-OAHLLOKOSA-N -1 3 379.464 3.555 20 0 GHADHM Cc1cc(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000822210840 599535084 /nfs/dbraw/zinc/53/50/84/599535084.db2.gz SVNWYEJBIDAMSX-OAHLLOKOSA-N -1 3 379.464 3.555 20 0 GHADHM C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321925 599543458 /nfs/dbraw/zinc/54/34/58/599543458.db2.gz OAXGASLSALTIDN-OAHLLOKOSA-N -1 3 399.454 3.860 20 0 GHADHM C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321925 599543461 /nfs/dbraw/zinc/54/34/61/599543461.db2.gz OAXGASLSALTIDN-OAHLLOKOSA-N -1 3 399.454 3.860 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736055602 599544081 /nfs/dbraw/zinc/54/40/81/599544081.db2.gz HLMAFLKLGOSWKR-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736055602 599544082 /nfs/dbraw/zinc/54/40/82/599544082.db2.gz HLMAFLKLGOSWKR-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820397516 599544225 /nfs/dbraw/zinc/54/42/25/599544225.db2.gz PMXZXUDPTMBHRE-CQSZACIVSA-N -1 3 381.439 3.929 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820397516 599544228 /nfs/dbraw/zinc/54/42/28/599544228.db2.gz PMXZXUDPTMBHRE-CQSZACIVSA-N -1 3 381.439 3.929 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC(c1cccs1)c1cccs1 ZINC000737853189 599548831 /nfs/dbraw/zinc/54/88/31/599548831.db2.gz QFPYRGGFFLFUJN-UHFFFAOYSA-N -1 3 395.513 3.828 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC(c1cccs1)c1cccs1 ZINC000737853189 599548832 /nfs/dbraw/zinc/54/88/32/599548832.db2.gz QFPYRGGFFLFUJN-UHFFFAOYSA-N -1 3 395.513 3.828 20 0 GHADHM Cc1c(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822130231 607383714 /nfs/dbraw/zinc/38/37/14/607383714.db2.gz RDAYYMVGIMDZGL-UHFFFAOYSA-N -1 3 386.341 3.518 20 0 GHADHM Cc1c(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822130231 607383716 /nfs/dbraw/zinc/38/37/16/607383716.db2.gz RDAYYMVGIMDZGL-UHFFFAOYSA-N -1 3 386.341 3.518 20 0 GHADHM C[C@@H]1CSCCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736293758 599557701 /nfs/dbraw/zinc/55/77/01/599557701.db2.gz RHVUTYFDJYYMAK-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM C[C@@H]1CSCCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736293758 599557702 /nfs/dbraw/zinc/55/77/02/599557702.db2.gz RHVUTYFDJYYMAK-CYBMUJFWSA-N -1 3 397.529 3.595 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332905 599558036 /nfs/dbraw/zinc/55/80/36/599558036.db2.gz XQILGXOBZKTUJC-KKSFZXQISA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332905 599558037 /nfs/dbraw/zinc/55/80/37/599558037.db2.gz XQILGXOBZKTUJC-KKSFZXQISA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328139 599560030 /nfs/dbraw/zinc/56/00/30/599560030.db2.gz CSXCFLIHLKQPHT-CRAIPNDOSA-N -1 3 395.463 3.679 20 0 GHADHM O=C(Nc1nc2ccccc2[nH]1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738213624 599563581 /nfs/dbraw/zinc/56/35/81/599563581.db2.gz ZSFRUWYWQTXIGZ-UHFFFAOYSA-N -1 3 396.414 3.739 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820563894 599563604 /nfs/dbraw/zinc/56/36/04/599563604.db2.gz WNKIBHFRJAFZBT-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820563894 599563606 /nfs/dbraw/zinc/56/36/06/599563606.db2.gz WNKIBHFRJAFZBT-GFCCVEGCSA-N -1 3 395.854 3.763 20 0 GHADHM O=C(Nc1ccc2c(c1)CCO2)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738176268 599564038 /nfs/dbraw/zinc/56/40/38/599564038.db2.gz WVPZLWZOCVQGQQ-UHFFFAOYSA-N -1 3 398.426 3.798 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000823690734 599564944 /nfs/dbraw/zinc/56/49/44/599564944.db2.gz SMFGERWGOAHHAO-ZDUSSCGKSA-N -1 3 384.654 3.972 20 0 GHADHM O[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC000823690734 599564946 /nfs/dbraw/zinc/56/49/46/599564946.db2.gz SMFGERWGOAHHAO-ZDUSSCGKSA-N -1 3 384.654 3.972 20 0 GHADHM CCN(Cc1nnc(-c2cccc(F)c2)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230358 599567769 /nfs/dbraw/zinc/56/77/69/599567769.db2.gz ICKKQXBSJVBFCZ-CYBMUJFWSA-N -1 3 393.426 3.639 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2ccccc2F)n1 ZINC000826252918 607385151 /nfs/dbraw/zinc/38/51/51/607385151.db2.gz YBTUYBSMKBHBBI-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2ccccc2F)n1 ZINC000826252918 607385153 /nfs/dbraw/zinc/38/51/53/607385153.db2.gz YBTUYBSMKBHBBI-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737320504 599614827 /nfs/dbraw/zinc/61/48/27/599614827.db2.gz LRGFUORDUUNTON-INIZCTEOSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737320504 599614828 /nfs/dbraw/zinc/61/48/28/599614828.db2.gz LRGFUORDUUNTON-INIZCTEOSA-N -1 3 390.491 3.653 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000735922235 599616959 /nfs/dbraw/zinc/61/69/59/599616959.db2.gz DEGXLCRKLIEMDD-HNNXBMFYSA-N -1 3 394.479 3.534 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000735922235 599616960 /nfs/dbraw/zinc/61/69/60/599616960.db2.gz DEGXLCRKLIEMDD-HNNXBMFYSA-N -1 3 394.479 3.534 20 0 GHADHM Cn1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc2cc(C(F)(F)F)ccc21 ZINC000822595940 599620908 /nfs/dbraw/zinc/62/09/08/599620908.db2.gz FOLFBQWYJOGCFJ-UHFFFAOYSA-N -1 3 387.321 3.596 20 0 GHADHM Cn1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc2cc(C(F)(F)F)ccc21 ZINC000822595940 599620909 /nfs/dbraw/zinc/62/09/09/599620909.db2.gz FOLFBQWYJOGCFJ-UHFFFAOYSA-N -1 3 387.321 3.596 20 0 GHADHM Cc1sc(NC(=O)[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822232787 599628788 /nfs/dbraw/zinc/62/87/88/599628788.db2.gz AZKWLHCPJCIOQS-DOTOQJQBSA-N -1 3 397.504 3.960 20 0 GHADHM Cc1sc(NC(=O)[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822232787 599628789 /nfs/dbraw/zinc/62/87/89/599628789.db2.gz AZKWLHCPJCIOQS-DOTOQJQBSA-N -1 3 397.504 3.960 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC000819907967 599629256 /nfs/dbraw/zinc/62/92/56/599629256.db2.gz VBCZWDVKHQUMOH-CMPLNLGQSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC000819907967 599629257 /nfs/dbraw/zinc/62/92/57/599629257.db2.gz VBCZWDVKHQUMOH-CMPLNLGQSA-N -1 3 391.566 3.913 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820937923 599630260 /nfs/dbraw/zinc/63/02/60/599630260.db2.gz FIAPXJNOWDGJOP-IMJJTQAJSA-N -1 3 388.516 3.736 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820937923 599630261 /nfs/dbraw/zinc/63/02/61/599630261.db2.gz FIAPXJNOWDGJOP-IMJJTQAJSA-N -1 3 388.516 3.736 20 0 GHADHM O=C(C=Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822934621 599632229 /nfs/dbraw/zinc/63/22/29/599632229.db2.gz AMTHJCJLCUFKNM-VMPITWQZSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822934621 599632230 /nfs/dbraw/zinc/63/22/30/599632230.db2.gz AMTHJCJLCUFKNM-VMPITWQZSA-N -1 3 377.301 3.677 20 0 GHADHM Cc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822267255 599632304 /nfs/dbraw/zinc/63/23/04/599632304.db2.gz PVXMDVJKDFGLRI-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822267255 599632305 /nfs/dbraw/zinc/63/23/05/599632305.db2.gz PVXMDVJKDFGLRI-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821777943 599632835 /nfs/dbraw/zinc/63/28/35/599632835.db2.gz PHSQSUBMYNIFTJ-JTQLQIEISA-N -1 3 391.353 3.636 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821777943 599632836 /nfs/dbraw/zinc/63/28/36/599632836.db2.gz PHSQSUBMYNIFTJ-JTQLQIEISA-N -1 3 391.353 3.636 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820939871 599633811 /nfs/dbraw/zinc/63/38/11/599633811.db2.gz ZTGDHHNKHKYCHB-CQSZACIVSA-N -1 3 383.374 3.562 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820939871 599633812 /nfs/dbraw/zinc/63/38/12/599633812.db2.gz ZTGDHHNKHKYCHB-CQSZACIVSA-N -1 3 383.374 3.562 20 0 GHADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823082446 599634754 /nfs/dbraw/zinc/63/47/54/599634754.db2.gz JEIKRDSEMNFHBA-UHFFFAOYSA-N -1 3 387.365 3.555 20 0 GHADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823082446 599634755 /nfs/dbraw/zinc/63/47/55/599634755.db2.gz JEIKRDSEMNFHBA-UHFFFAOYSA-N -1 3 387.365 3.555 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822035648 599657524 /nfs/dbraw/zinc/65/75/24/599657524.db2.gz XZIOYZJUFVXYTJ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821016465 599661532 /nfs/dbraw/zinc/66/15/32/599661532.db2.gz WXQSGFXXYSEWKM-ZBFHGGJFSA-N -1 3 399.495 3.734 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821016465 599661533 /nfs/dbraw/zinc/66/15/33/599661533.db2.gz WXQSGFXXYSEWKM-ZBFHGGJFSA-N -1 3 399.495 3.734 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000819883812 599665720 /nfs/dbraw/zinc/66/57/20/599665720.db2.gz ODSAMSBGSRKVOP-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000819883812 599665721 /nfs/dbraw/zinc/66/57/21/599665721.db2.gz ODSAMSBGSRKVOP-JTQLQIEISA-N -1 3 394.328 3.872 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357772 599666376 /nfs/dbraw/zinc/66/63/76/599666376.db2.gz JUDGAWMFALNBER-IFXJQAMLSA-N -1 3 388.431 3.610 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357772 599666377 /nfs/dbraw/zinc/66/63/77/599666377.db2.gz JUDGAWMFALNBER-IFXJQAMLSA-N -1 3 388.431 3.610 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233064 599668326 /nfs/dbraw/zinc/66/83/26/599668326.db2.gz HLPBZNCAFZNZTG-VQTJNVASSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233064 599668327 /nfs/dbraw/zinc/66/83/27/599668327.db2.gz HLPBZNCAFZNZTG-VQTJNVASSA-N -1 3 390.491 3.653 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352286 599673679 /nfs/dbraw/zinc/67/36/79/599673679.db2.gz SXBVCIVHHSNGLS-GJZGRUSLSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352286 599673680 /nfs/dbraw/zinc/67/36/80/599673680.db2.gz SXBVCIVHHSNGLS-GJZGRUSLSA-N -1 3 378.480 3.593 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821153377 599681316 /nfs/dbraw/zinc/68/13/16/599681316.db2.gz AIUCZMLJAGHUDR-KBPBESRZSA-N -1 3 382.443 3.860 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821153377 599681317 /nfs/dbraw/zinc/68/13/17/599681317.db2.gz AIUCZMLJAGHUDR-KBPBESRZSA-N -1 3 382.443 3.860 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2NC1=O ZINC000821002350 599689268 /nfs/dbraw/zinc/68/92/68/599689268.db2.gz WCTMEMNAZXLWAC-HWPZZCPQSA-N -1 3 398.854 3.803 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2NC1=O ZINC000821002350 599689269 /nfs/dbraw/zinc/68/92/69/599689269.db2.gz WCTMEMNAZXLWAC-HWPZZCPQSA-N -1 3 398.854 3.803 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820096689 599691470 /nfs/dbraw/zinc/69/14/70/599691470.db2.gz FOEBIMIRZTZGSW-CHWSQXEVSA-N -1 3 388.497 3.978 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820096689 599691471 /nfs/dbraw/zinc/69/14/71/599691471.db2.gz FOEBIMIRZTZGSW-CHWSQXEVSA-N -1 3 388.497 3.978 20 0 GHADHM Brc1cccc(-c2cnc(CNc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819688110 599691473 /nfs/dbraw/zinc/69/14/73/599691473.db2.gz DFFWFRFWFVCLOI-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM Brc1cccc(-c2cnc(CNc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819688110 599691474 /nfs/dbraw/zinc/69/14/74/599691474.db2.gz DFFWFRFWFVCLOI-UHFFFAOYSA-N -1 3 397.236 3.896 20 0 GHADHM COc1ccc(-c2cnc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000821731359 599691679 /nfs/dbraw/zinc/69/16/79/599691679.db2.gz BDFURHXTNBMZDW-UHFFFAOYSA-N -1 3 382.811 3.796 20 0 GHADHM COc1ccc(-c2cnc(CNc3ccc(Cl)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000821731359 599691680 /nfs/dbraw/zinc/69/16/80/599691680.db2.gz BDFURHXTNBMZDW-UHFFFAOYSA-N -1 3 382.811 3.796 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)[C@H]1CCCCO1 ZINC000823350644 607394104 /nfs/dbraw/zinc/39/41/04/607394104.db2.gz VMRZKUCWPWDANL-QGZVFWFLSA-N -1 3 399.838 3.820 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)[C@H]1CCCCO1 ZINC000823350644 607394106 /nfs/dbraw/zinc/39/41/06/607394106.db2.gz VMRZKUCWPWDANL-QGZVFWFLSA-N -1 3 399.838 3.820 20 0 GHADHM CC(C)Oc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820177872 607399143 /nfs/dbraw/zinc/39/91/43/607399143.db2.gz BVQBEDHKINGPTJ-UHFFFAOYSA-N -1 3 381.436 3.693 20 0 GHADHM CC(C)Oc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820177872 607399145 /nfs/dbraw/zinc/39/91/45/607399145.db2.gz BVQBEDHKINGPTJ-UHFFFAOYSA-N -1 3 381.436 3.693 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000826251666 607400062 /nfs/dbraw/zinc/40/00/62/607400062.db2.gz XHYLUTAZEYVYAS-IBGZPJMESA-N -1 3 389.390 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000826251666 607400064 /nfs/dbraw/zinc/40/00/64/607400064.db2.gz XHYLUTAZEYVYAS-IBGZPJMESA-N -1 3 389.390 3.656 20 0 GHADHM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000738202655 599852765 /nfs/dbraw/zinc/85/27/65/599852765.db2.gz KKQQQLWJXJPPEK-HXUWFJFHSA-N -1 3 398.528 3.950 20 0 GHADHM O=C([O-])CN(Cc1cccc(OCC(F)(F)F)c1)Cc1ccc(F)c(F)c1 ZINC000739796483 599864277 /nfs/dbraw/zinc/86/42/77/599864277.db2.gz GQWQEFIEWSHOKE-UHFFFAOYSA-N -1 3 389.320 3.993 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3C)cs2)cc1 ZINC000826273534 607413704 /nfs/dbraw/zinc/41/37/04/607413704.db2.gz IPCCGDMTPWWZRC-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3C)cs2)cc1 ZINC000826273534 607413705 /nfs/dbraw/zinc/41/37/05/607413705.db2.gz IPCCGDMTPWWZRC-UHFFFAOYSA-N -1 3 391.456 3.964 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000736716718 600077226 /nfs/dbraw/zinc/07/72/26/600077226.db2.gz JNPBGWSKYAPVJY-ZIAGYGMSSA-N -1 3 389.427 3.712 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000820170266 607424263 /nfs/dbraw/zinc/42/42/63/607424263.db2.gz WJYFVFXODMIFPW-UHFFFAOYSA-N -1 3 392.872 3.691 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000820170266 607424265 /nfs/dbraw/zinc/42/42/65/607424265.db2.gz WJYFVFXODMIFPW-UHFFFAOYSA-N -1 3 392.872 3.691 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000822229462 607428472 /nfs/dbraw/zinc/42/84/72/607428472.db2.gz VHUYALDDFUYTIY-GFCCVEGCSA-N -1 3 386.481 3.907 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000822229462 607428473 /nfs/dbraw/zinc/42/84/73/607428473.db2.gz VHUYALDDFUYTIY-GFCCVEGCSA-N -1 3 386.481 3.907 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736298031 600305724 /nfs/dbraw/zinc/30/57/24/600305724.db2.gz MQBDIOZSCWRCBU-PMACEKPBSA-N -1 3 398.547 3.834 20 0 GHADHM CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825818047 607436745 /nfs/dbraw/zinc/43/67/45/607436745.db2.gz UCARSIFWZBKCHJ-UHFFFAOYSA-N -1 3 391.475 3.784 20 0 GHADHM CN(C(=O)CCc1cccc(OC2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825818047 607436746 /nfs/dbraw/zinc/43/67/46/607436746.db2.gz UCARSIFWZBKCHJ-UHFFFAOYSA-N -1 3 391.475 3.784 20 0 GHADHM CC1CCC(N2CCN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)CC2)CC1 ZINC000736768412 600347173 /nfs/dbraw/zinc/34/71/73/600347173.db2.gz JAFTWSYZSFVWRY-UHFFFAOYSA-N -1 3 388.512 3.525 20 0 GHADHM CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817846 607438565 /nfs/dbraw/zinc/43/85/65/607438565.db2.gz QMNGMVAMFSDZTP-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817846 607438567 /nfs/dbraw/zinc/43/85/67/607438567.db2.gz QMNGMVAMFSDZTP-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000739489982 600398512 /nfs/dbraw/zinc/39/85/12/600398512.db2.gz XWGMDQXUHRJVRU-SFHVURJKSA-N -1 3 387.867 3.752 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1 ZINC000824498484 607446042 /nfs/dbraw/zinc/44/60/42/607446042.db2.gz IDXAIFIPHDCZCE-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000824498484 607446043 /nfs/dbraw/zinc/44/60/43/607446043.db2.gz IDXAIFIPHDCZCE-GFCCVEGCSA-N -1 3 382.855 3.570 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830810 607442085 /nfs/dbraw/zinc/44/20/85/607442085.db2.gz YFFDVDLGUCMXPS-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830810 607442086 /nfs/dbraw/zinc/44/20/86/607442086.db2.gz YFFDVDLGUCMXPS-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(Cc4ccccc4)C[C@H]3C)c12 ZINC000574574954 600610755 /nfs/dbraw/zinc/61/07/55/600610755.db2.gz XSSDATIGRPRDQI-CYBMUJFWSA-N -1 3 396.516 3.717 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1noc(C2CCCCC2)n1 ZINC000820155487 607467253 /nfs/dbraw/zinc/46/72/53/607467253.db2.gz QTLRTWHZOZWXMM-UHFFFAOYSA-N -1 3 383.456 3.697 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1noc(C2CCCCC2)n1 ZINC000820155487 607467254 /nfs/dbraw/zinc/46/72/54/607467254.db2.gz QTLRTWHZOZWXMM-UHFFFAOYSA-N -1 3 383.456 3.697 20 0 GHADHM COc1ccc(C[C@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)cc1 ZINC000737986488 601091018 /nfs/dbraw/zinc/09/10/18/601091018.db2.gz BJMIXCFCKHXWLH-QGZVFWFLSA-N -1 3 379.460 3.655 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 ZINC000826054718 601201526 /nfs/dbraw/zinc/20/15/26/601201526.db2.gz PNDXUFOKPCCTIO-RCDICMHDSA-N -1 3 377.440 3.833 20 0 GHADHM COc1cc(NC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)cc(OC)c1 ZINC000832025798 601597950 /nfs/dbraw/zinc/59/79/50/601597950.db2.gz DISOFNNJSLHACF-FQEVSTJZSA-N -1 3 388.439 3.545 20 0 GHADHM O=C([O-])CSc1ccc(OC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000833264059 601871101 /nfs/dbraw/zinc/87/11/01/601871101.db2.gz WLGLZYHLLIDEMX-UHFFFAOYSA-N -1 3 385.485 3.681 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cnn1CCC(C)C ZINC000826234815 607531221 /nfs/dbraw/zinc/53/12/21/607531221.db2.gz PBMYKIGCDZVVRU-UHFFFAOYSA-N -1 3 399.524 3.610 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cnn1CCC(C)C ZINC000826234815 607531222 /nfs/dbraw/zinc/53/12/22/607531222.db2.gz PBMYKIGCDZVVRU-UHFFFAOYSA-N -1 3 399.524 3.610 20 0 GHADHM Cc1c(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cnn1CCC(C)C ZINC000826234058 607532785 /nfs/dbraw/zinc/53/27/85/607532785.db2.gz GSSNLSVFKPIPOC-UHFFFAOYSA-N -1 3 395.511 3.721 20 0 GHADHM Cc1c(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cnn1CCC(C)C ZINC000826234058 607532787 /nfs/dbraw/zinc/53/27/87/607532787.db2.gz GSSNLSVFKPIPOC-UHFFFAOYSA-N -1 3 395.511 3.721 20 0 GHADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000833172652 602042879 /nfs/dbraw/zinc/04/28/79/602042879.db2.gz VTQCNKAOFHXQTL-BDJLRTHQSA-N -1 3 395.290 3.536 20 0 GHADHM COc1ccc(COc2c(Cl)c(Cl)ccc2C(C)=O)cc1-c1nnn[n-]1 ZINC000826206790 607545852 /nfs/dbraw/zinc/54/58/52/607545852.db2.gz LHLGNUVQQWPUDF-UHFFFAOYSA-N -1 3 393.230 3.964 20 0 GHADHM COc1ccc(COc2c(Cl)c(Cl)ccc2C(C)=O)cc1-c1nn[n-]n1 ZINC000826206790 607545853 /nfs/dbraw/zinc/54/58/53/607545853.db2.gz LHLGNUVQQWPUDF-UHFFFAOYSA-N -1 3 393.230 3.964 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])N(C)C)cc1 ZINC000739544622 602281275 /nfs/dbraw/zinc/28/12/75/602281275.db2.gz UONHGYKJVGLKMF-HXUWFJFHSA-N -1 3 396.491 3.714 20 0 GHADHM COc1cc(NC(=O)c2oc3ccccc3c2CN(C)C)ccc1NC(=O)[O-] ZINC000739869562 603093993 /nfs/dbraw/zinc/09/39/93/603093993.db2.gz NVHHJFLBIZUMIW-UHFFFAOYSA-N -1 3 383.404 3.845 20 0 GHADHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000825399540 607643804 /nfs/dbraw/zinc/64/38/04/607643804.db2.gz XIKBDGNQXXUKEA-UHFFFAOYSA-N -1 3 390.447 3.695 20 0 GHADHM CC(C)c1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000824347626 607646879 /nfs/dbraw/zinc/64/68/79/607646879.db2.gz HVZIATLKQRGSGG-UHFFFAOYSA-N -1 3 378.505 3.966 20 0 GHADHM CC(C)c1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000824347626 607646881 /nfs/dbraw/zinc/64/68/81/607646881.db2.gz HVZIATLKQRGSGG-UHFFFAOYSA-N -1 3 378.505 3.966 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000826247895 607650175 /nfs/dbraw/zinc/65/01/75/607650175.db2.gz QEYYWXUYGPMVDC-UHFFFAOYSA-N -1 3 383.455 3.737 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000826247895 607650178 /nfs/dbraw/zinc/65/01/78/607650178.db2.gz QEYYWXUYGPMVDC-UHFFFAOYSA-N -1 3 383.455 3.737 20 0 GHADHM CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828341449 603789634 /nfs/dbraw/zinc/78/96/34/603789634.db2.gz ODAONTPATNTCNP-JWUXSMFNSA-N -1 3 393.336 3.612 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1NC(=O)[O-] ZINC000830198233 603970841 /nfs/dbraw/zinc/97/08/41/603970841.db2.gz JLRFAJYFIVWBFK-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000830308729 604084028 /nfs/dbraw/zinc/08/40/28/604084028.db2.gz MCQAHRRECZGGIS-QGZVFWFLSA-N -1 3 375.856 3.657 20 0 GHADHM O=C([O-])NCCCOC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000832633131 604106034 /nfs/dbraw/zinc/10/60/34/604106034.db2.gz PFDSUMMPWIQHNV-UHFFFAOYSA-N -1 3 377.872 3.527 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000831826105 604228878 /nfs/dbraw/zinc/22/88/78/604228878.db2.gz KEDFDRZKCCFBTN-UHFFFAOYSA-N -1 3 390.509 3.585 20 0 GHADHM Cc1cc([C@H](C)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000832870808 604384714 /nfs/dbraw/zinc/38/47/14/604384714.db2.gz MLKNGZLFNOGHFJ-AWEZNQCLSA-N -1 3 388.439 3.515 20 0 GHADHM CN(C)Cc1cccc(NC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000830619743 604421147 /nfs/dbraw/zinc/42/11/47/604421147.db2.gz JRLFUHBWDAJEBC-UHFFFAOYSA-N -1 3 396.491 3.555 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263505632 604423532 /nfs/dbraw/zinc/42/35/32/604423532.db2.gz WZMBNALXRSSNGO-UHFFFAOYSA-N -1 3 386.517 3.963 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263508471 604423783 /nfs/dbraw/zinc/42/37/83/604423783.db2.gz XYCPTFPSJFVZNF-UHFFFAOYSA-N -1 3 386.517 3.963 20 0 GHADHM Cc1oc(CN(C)CCC(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000833025337 604456150 /nfs/dbraw/zinc/45/61/50/604456150.db2.gz HXMUOCDAARKQKT-UHFFFAOYSA-N -1 3 384.354 3.766 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)C1 ZINC000824928127 607709997 /nfs/dbraw/zinc/70/99/97/607709997.db2.gz RFQGKSJADPMZTC-XJKSGUPXSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)C1 ZINC000824928127 607709998 /nfs/dbraw/zinc/70/99/98/607709998.db2.gz RFQGKSJADPMZTC-XJKSGUPXSA-N -1 3 380.452 3.542 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825076515 607723396 /nfs/dbraw/zinc/72/33/96/607723396.db2.gz VZFYSNPUTQRGII-OAHLLOKOSA-N -1 3 395.463 3.508 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825076515 607723398 /nfs/dbraw/zinc/72/33/98/607723398.db2.gz VZFYSNPUTQRGII-OAHLLOKOSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1CC1(C)C ZINC000826272212 607723992 /nfs/dbraw/zinc/72/39/92/607723992.db2.gz YWEPXDVJQDFJNK-KRWDZBQOSA-N -1 3 377.448 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1CC1(C)C ZINC000826272212 607723994 /nfs/dbraw/zinc/72/39/94/607723994.db2.gz YWEPXDVJQDFJNK-KRWDZBQOSA-N -1 3 377.448 3.739 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833546925 604943738 /nfs/dbraw/zinc/94/37/38/604943738.db2.gz MVMCGXVVLPSJGR-DOTOQJQBSA-N -1 3 386.492 3.775 20 0 GHADHM O[C@H](c1ccccc1)C1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000826505481 607735377 /nfs/dbraw/zinc/73/53/77/607735377.db2.gz WLQFLSRMBZRDDU-MRXNPFEDSA-N -1 3 389.381 3.811 20 0 GHADHM O[C@H](c1ccccc1)C1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826505481 607735378 /nfs/dbraw/zinc/73/53/78/607735378.db2.gz WLQFLSRMBZRDDU-MRXNPFEDSA-N -1 3 389.381 3.811 20 0 GHADHM CCN(Cc1nc(C(F)(F)F)cs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443264 607738649 /nfs/dbraw/zinc/73/86/49/607738649.db2.gz BALFMXBHWMVRFE-JTQLQIEISA-N -1 3 382.415 3.925 20 0 GHADHM CCN(Cc1nc(C(F)(F)F)cs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443264 607738650 /nfs/dbraw/zinc/73/86/50/607738650.db2.gz BALFMXBHWMVRFE-JTQLQIEISA-N -1 3 382.415 3.925 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000833415489 605178701 /nfs/dbraw/zinc/17/87/01/605178701.db2.gz WBPGTYDSUVUJPO-IBGZPJMESA-N -1 3 384.501 3.567 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000833415680 605178745 /nfs/dbraw/zinc/17/87/45/605178745.db2.gz UXSUWHQVJYSATF-MRXNPFEDSA-N -1 3 397.443 3.625 20 0 GHADHM Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829929998 605323163 /nfs/dbraw/zinc/32/31/63/605323163.db2.gz GNRSKAISKNZZPP-KRWDZBQOSA-N -1 3 381.476 3.822 20 0 GHADHM CC(C)C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824229141 607758208 /nfs/dbraw/zinc/75/82/08/607758208.db2.gz OJKWMHFZCZYMNA-ZDUSSCGKSA-N -1 3 381.440 3.610 20 0 GHADHM CC(C)C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824229141 607758209 /nfs/dbraw/zinc/75/82/09/607758209.db2.gz OJKWMHFZCZYMNA-ZDUSSCGKSA-N -1 3 381.440 3.610 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000825532806 607761189 /nfs/dbraw/zinc/76/11/89/607761189.db2.gz WQWHBLXWLJAZDG-LSDHHAIUSA-N -1 3 398.467 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000825532806 607761190 /nfs/dbraw/zinc/76/11/90/607761190.db2.gz WQWHBLXWLJAZDG-LSDHHAIUSA-N -1 3 398.467 3.590 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826225745 607762214 /nfs/dbraw/zinc/76/22/14/607762214.db2.gz JXPWKCMQUVIGLK-CYBMUJFWSA-N -1 3 398.492 3.840 20 0 GHADHM CS[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826225745 607762215 /nfs/dbraw/zinc/76/22/15/607762215.db2.gz JXPWKCMQUVIGLK-CYBMUJFWSA-N -1 3 398.492 3.840 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000825958341 607764038 /nfs/dbraw/zinc/76/40/38/607764038.db2.gz SGFWXSQZAAJXLC-IBGZPJMESA-N -1 3 390.491 3.722 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000825958341 607764039 /nfs/dbraw/zinc/76/40/39/607764039.db2.gz SGFWXSQZAAJXLC-IBGZPJMESA-N -1 3 390.491 3.722 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000825700762 607769550 /nfs/dbraw/zinc/76/95/50/607769550.db2.gz RKYKJPZCQNGMOH-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1cc(C)c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000825700762 607769551 /nfs/dbraw/zinc/76/95/51/607769551.db2.gz RKYKJPZCQNGMOH-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1C ZINC000826296473 607769801 /nfs/dbraw/zinc/76/98/01/607769801.db2.gz YGLUWYFGAAJRJA-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1C ZINC000826296473 607769802 /nfs/dbraw/zinc/76/98/02/607769802.db2.gz YGLUWYFGAAJRJA-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824936761 607770224 /nfs/dbraw/zinc/77/02/24/607770224.db2.gz LTXXZSCVXPCPIW-BLLLJJGKSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824936761 607770225 /nfs/dbraw/zinc/77/02/25/607770225.db2.gz LTXXZSCVXPCPIW-BLLLJJGKSA-N -1 3 398.492 3.524 20 0 GHADHM Cn1ccnc1C[C@H](N[C@@H]1C[C@@H](NC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833954999 605799261 /nfs/dbraw/zinc/79/92/61/605799261.db2.gz BVGJCWCPWBXUGU-XUVXKRRUSA-N -1 3 376.460 3.747 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821457445 606018921 /nfs/dbraw/zinc/01/89/21/606018921.db2.gz WSZFLCKHDCIGOA-UONOGXRCSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821457445 606018925 /nfs/dbraw/zinc/01/89/25/606018925.db2.gz WSZFLCKHDCIGOA-UONOGXRCSA-N -1 3 391.545 3.609 20 0 GHADHM Cn1c2ccccc2nc1[C@H](N[C@@H]1CCCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833941450 606038415 /nfs/dbraw/zinc/03/84/15/606038415.db2.gz MECLSXFIJLWDHW-YLJYHZDGSA-N -1 3 378.476 3.785 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820989480 606053442 /nfs/dbraw/zinc/05/34/42/606053442.db2.gz UIPFIRRHSRCZGL-XLIONFOSSA-N -1 3 390.491 3.592 20 0 GHADHM CC[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820989480 606053448 /nfs/dbraw/zinc/05/34/48/606053448.db2.gz UIPFIRRHSRCZGL-XLIONFOSSA-N -1 3 390.491 3.592 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c2c1 ZINC000822275401 606055510 /nfs/dbraw/zinc/05/55/10/606055510.db2.gz UBRZPSZJMNZUTJ-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c2c1 ZINC000822275401 606055514 /nfs/dbraw/zinc/05/55/14/606055514.db2.gz UBRZPSZJMNZUTJ-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CC12CCCC2 ZINC000823367571 606148960 /nfs/dbraw/zinc/14/89/60/606148960.db2.gz LABKBBHREYJBID-LJQANCHMSA-N -1 3 389.459 3.965 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CC12CCCC2 ZINC000823367571 606148962 /nfs/dbraw/zinc/14/89/62/606148962.db2.gz LABKBBHREYJBID-LJQANCHMSA-N -1 3 389.459 3.965 20 0 GHADHM C[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513241 606189036 /nfs/dbraw/zinc/18/90/36/606189036.db2.gz YETMAOLRHVTDQL-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM C[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513241 606189038 /nfs/dbraw/zinc/18/90/38/606189038.db2.gz YETMAOLRHVTDQL-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM C[C@@H]1Sc2ccccc2N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820819465 606190012 /nfs/dbraw/zinc/19/00/12/606190012.db2.gz IXCVAKVCJJOZQQ-KBPBESRZSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@@H]1Sc2ccccc2N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820819465 606190013 /nfs/dbraw/zinc/19/00/13/606190013.db2.gz IXCVAKVCJJOZQQ-KBPBESRZSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000820563673 606233906 /nfs/dbraw/zinc/23/39/06/606233906.db2.gz STTIAZLOQBRHTL-CQSZACIVSA-N -1 3 386.459 3.724 20 0 GHADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000820563673 606233907 /nfs/dbraw/zinc/23/39/07/606233907.db2.gz STTIAZLOQBRHTL-CQSZACIVSA-N -1 3 386.459 3.724 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820557263 606272362 /nfs/dbraw/zinc/27/23/62/606272362.db2.gz XRLZIAHGNXGQIB-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820557263 606272364 /nfs/dbraw/zinc/27/23/64/606272364.db2.gz XRLZIAHGNXGQIB-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc(OC)cc1 ZINC000821118194 606281297 /nfs/dbraw/zinc/28/12/97/606281297.db2.gz IGOHKFAKCXYFGF-UHFFFAOYSA-N -1 3 394.479 3.659 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823487424 606282456 /nfs/dbraw/zinc/28/24/56/606282456.db2.gz CNLNGIPLELEZNF-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823487424 606282458 /nfs/dbraw/zinc/28/24/58/606282458.db2.gz CNLNGIPLELEZNF-UHFFFAOYSA-N -1 3 383.402 3.730 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640305 606296546 /nfs/dbraw/zinc/29/65/46/606296546.db2.gz FUHOSXJGMSNIMT-YWZLYKJASA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640305 606296548 /nfs/dbraw/zinc/29/65/48/606296548.db2.gz FUHOSXJGMSNIMT-YWZLYKJASA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640335 606298261 /nfs/dbraw/zinc/29/82/61/606298261.db2.gz GIRJQXIIPXMRFG-LIRRHRJNSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640335 606298263 /nfs/dbraw/zinc/29/82/63/606298263.db2.gz GIRJQXIIPXMRFG-LIRRHRJNSA-N -1 3 379.464 3.555 20 0 GHADHM CC(C)c1noc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000820211318 606306905 /nfs/dbraw/zinc/30/69/05/606306905.db2.gz IKBDOUCVFAADIW-UHFFFAOYSA-N -1 3 378.392 3.744 20 0 GHADHM CC(C)c1noc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000820211318 606306907 /nfs/dbraw/zinc/30/69/07/606306907.db2.gz IKBDOUCVFAADIW-UHFFFAOYSA-N -1 3 378.392 3.744 20 0 GHADHM CCCc1nc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000821143692 606307170 /nfs/dbraw/zinc/30/71/70/606307170.db2.gz WGXUKNIUNXSCMJ-UHFFFAOYSA-N -1 3 378.392 3.574 20 0 GHADHM CCCc1nc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000821143692 606307171 /nfs/dbraw/zinc/30/71/71/606307171.db2.gz WGXUKNIUNXSCMJ-UHFFFAOYSA-N -1 3 378.392 3.574 20 0 GHADHM O=C1[C@H](SCc2ccc(Cl)cc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513082 606311984 /nfs/dbraw/zinc/31/19/84/606311984.db2.gz SMLVLQLTYQUXFC-CYBMUJFWSA-N -1 3 391.909 3.620 20 0 GHADHM O=C1[C@H](SCc2ccc(Cl)cc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513082 606311985 /nfs/dbraw/zinc/31/19/85/606311985.db2.gz SMLVLQLTYQUXFC-CYBMUJFWSA-N -1 3 391.909 3.620 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822197784 606347085 /nfs/dbraw/zinc/34/70/85/606347085.db2.gz PGZDWWDDHSVLNU-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822197784 606347087 /nfs/dbraw/zinc/34/70/87/606347087.db2.gz PGZDWWDDHSVLNU-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000822213802 606350085 /nfs/dbraw/zinc/35/00/85/606350085.db2.gz BDVIMLLXMHFCFC-LLVKDONJSA-N -1 3 381.417 3.810 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000822213802 606350086 /nfs/dbraw/zinc/35/00/86/606350086.db2.gz BDVIMLLXMHFCFC-LLVKDONJSA-N -1 3 381.417 3.810 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488818 606350582 /nfs/dbraw/zinc/35/05/82/606350582.db2.gz USPPZQVSEZJRQN-UJICNMFASA-N -1 3 389.209 3.540 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488818 606350584 /nfs/dbraw/zinc/35/05/84/606350584.db2.gz USPPZQVSEZJRQN-UJICNMFASA-N -1 3 389.209 3.540 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823343914 606356364 /nfs/dbraw/zinc/35/63/64/606356364.db2.gz KROFWCBHNIMNRR-UHFFFAOYSA-N -1 3 384.390 3.589 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000823343914 606356366 /nfs/dbraw/zinc/35/63/66/606356366.db2.gz KROFWCBHNIMNRR-UHFFFAOYSA-N -1 3 384.390 3.589 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000822214096 606356829 /nfs/dbraw/zinc/35/68/29/606356829.db2.gz PHXAKRGITVAAKG-LBPRGKRZSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000822214096 606356831 /nfs/dbraw/zinc/35/68/31/606356831.db2.gz PHXAKRGITVAAKG-LBPRGKRZSA-N -1 3 395.444 3.739 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820939688 606362572 /nfs/dbraw/zinc/36/25/72/606362572.db2.gz XDRIPIGCIPKXOJ-LRDDRELGSA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820939688 606362574 /nfs/dbraw/zinc/36/25/74/606362574.db2.gz XDRIPIGCIPKXOJ-LRDDRELGSA-N -1 3 385.855 3.555 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cnc2ccccc12 ZINC000822021381 606372742 /nfs/dbraw/zinc/37/27/42/606372742.db2.gz ZGUGRHLRUGSHJY-UHFFFAOYSA-N -1 3 376.445 3.526 20 0 GHADHM Cc1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cnc2ccccc12 ZINC000822021381 606372744 /nfs/dbraw/zinc/37/27/44/606372744.db2.gz ZGUGRHLRUGSHJY-UHFFFAOYSA-N -1 3 376.445 3.526 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccc(-c3nnn[n-]3)s2)nc2ccc(Cl)cc12 ZINC000823657855 606389586 /nfs/dbraw/zinc/38/95/86/606389586.db2.gz VZKLKNWPUMWSAT-UXBLZVDNSA-N -1 3 391.243 3.555 20 0 GHADHM CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573512 606412516 /nfs/dbraw/zinc/41/25/16/606412516.db2.gz SSQHNBXXIPNNJE-UHFFFAOYSA-N -1 3 399.886 3.626 20 0 GHADHM CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573512 606412518 /nfs/dbraw/zinc/41/25/18/606412518.db2.gz SSQHNBXXIPNNJE-UHFFFAOYSA-N -1 3 399.886 3.626 20 0 GHADHM Cc1cc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)sn1 ZINC000822208225 606437247 /nfs/dbraw/zinc/43/72/47/606437247.db2.gz HISBBYFKRNGCNG-UHFFFAOYSA-N -1 3 397.489 3.682 20 0 GHADHM C[C@H]1CCCN1C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000820710627 606438218 /nfs/dbraw/zinc/43/82/18/606438218.db2.gz RFYHIGMCAYPCNS-AWEZNQCLSA-N -1 3 379.489 3.784 20 0 GHADHM C[C@H]1CCCN1C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000820710627 606438220 /nfs/dbraw/zinc/43/82/20/606438220.db2.gz RFYHIGMCAYPCNS-AWEZNQCLSA-N -1 3 379.489 3.784 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000820710628 606438327 /nfs/dbraw/zinc/43/83/27/606438327.db2.gz RFYHIGMCAYPCNS-CQSZACIVSA-N -1 3 379.489 3.784 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000820710628 606438329 /nfs/dbraw/zinc/43/83/29/606438329.db2.gz RFYHIGMCAYPCNS-CQSZACIVSA-N -1 3 379.489 3.784 20 0 GHADHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822912341 606439391 /nfs/dbraw/zinc/43/93/91/606439391.db2.gz WWQBNHRBQHUPKB-PMOLBWCYSA-N -1 3 391.450 3.581 20 0 GHADHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822912341 606439393 /nfs/dbraw/zinc/43/93/93/606439393.db2.gz WWQBNHRBQHUPKB-PMOLBWCYSA-N -1 3 391.450 3.581 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823246635 606440762 /nfs/dbraw/zinc/44/07/62/606440762.db2.gz YHFNIYYRJPAVRU-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823246635 606440764 /nfs/dbraw/zinc/44/07/64/606440764.db2.gz YHFNIYYRJPAVRU-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)[C@H]1C ZINC000820716703 606446452 /nfs/dbraw/zinc/44/64/52/606446452.db2.gz KHODMJZIHKXZCK-KGLIPLIRSA-N -1 3 379.489 3.888 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)[C@H]1C ZINC000820716703 606446454 /nfs/dbraw/zinc/44/64/54/606446454.db2.gz KHODMJZIHKXZCK-KGLIPLIRSA-N -1 3 379.489 3.888 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000822930374 606449931 /nfs/dbraw/zinc/44/99/31/606449931.db2.gz ZIYWYQQGVCDBFH-JXMROGBWSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000822930374 606449933 /nfs/dbraw/zinc/44/99/33/606449933.db2.gz ZIYWYQQGVCDBFH-JXMROGBWSA-N -1 3 391.862 3.849 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822192026 606450053 /nfs/dbraw/zinc/45/00/53/606450053.db2.gz XACKVROOFBTIDD-OAHLLOKOSA-N -1 3 397.454 3.741 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822192026 606450054 /nfs/dbraw/zinc/45/00/54/606450054.db2.gz XACKVROOFBTIDD-OAHLLOKOSA-N -1 3 397.454 3.741 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822169143 606450706 /nfs/dbraw/zinc/45/07/06/606450706.db2.gz YQXKFRTZZNSKJQ-HNNXBMFYSA-N -1 3 390.491 3.659 20 0 GHADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822169143 606450707 /nfs/dbraw/zinc/45/07/07/606450707.db2.gz YQXKFRTZZNSKJQ-HNNXBMFYSA-N -1 3 390.491 3.659 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000819933377 606454455 /nfs/dbraw/zinc/45/44/55/606454455.db2.gz PKTJDRYVWOETMA-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000819933377 606454457 /nfs/dbraw/zinc/45/44/57/606454457.db2.gz PKTJDRYVWOETMA-UHFFFAOYSA-N -1 3 392.463 3.776 20 0 GHADHM Cn1c2cc(NCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)ccc2oc1=O ZINC000822595908 606455907 /nfs/dbraw/zinc/45/59/07/606455907.db2.gz FFQNWPOLEOKVKI-UHFFFAOYSA-N -1 3 398.426 3.591 20 0 GHADHM Cn1c2cc(NCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)ccc2oc1=O ZINC000822595908 606455909 /nfs/dbraw/zinc/45/59/09/606455909.db2.gz FFQNWPOLEOKVKI-UHFFFAOYSA-N -1 3 398.426 3.591 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3cc(-c4nnn[n-]4)ccc3F)cc2)nn1 ZINC000822267311 606462878 /nfs/dbraw/zinc/46/28/78/606462878.db2.gz SBDWGLJYGHNFIN-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3cc(-c4nn[n-]n4)ccc3F)cc2)nn1 ZINC000822267311 606462880 /nfs/dbraw/zinc/46/28/80/606462880.db2.gz SBDWGLJYGHNFIN-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccs1)C1CC1 ZINC000822733246 606482458 /nfs/dbraw/zinc/48/24/58/606482458.db2.gz VBPQMBOUFIUYPO-UHFFFAOYSA-N -1 3 377.420 3.694 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820570147 606483171 /nfs/dbraw/zinc/48/31/71/606483171.db2.gz DWPLBKGAGRUWJT-NSHDSACASA-N -1 3 377.370 3.800 20 0 GHADHM C[C@@H](c1ccccc1F)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820570147 606483173 /nfs/dbraw/zinc/48/31/73/606483173.db2.gz DWPLBKGAGRUWJT-NSHDSACASA-N -1 3 377.370 3.800 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823140553 606491273 /nfs/dbraw/zinc/49/12/73/606491273.db2.gz WPFPSNLWVYLZQF-QGZVFWFLSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823140553 606491274 /nfs/dbraw/zinc/49/12/74/606491274.db2.gz WPFPSNLWVYLZQF-QGZVFWFLSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367699 606491348 /nfs/dbraw/zinc/49/13/48/606491348.db2.gz NQIIRMWTWHQWPX-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367699 606491349 /nfs/dbraw/zinc/49/13/49/606491349.db2.gz NQIIRMWTWHQWPX-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820562023 606502760 /nfs/dbraw/zinc/50/27/60/606502760.db2.gz CVXRXIXYNINIPP-CYBMUJFWSA-N -1 3 381.867 3.815 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820562023 606502763 /nfs/dbraw/zinc/50/27/63/606502763.db2.gz CVXRXIXYNINIPP-CYBMUJFWSA-N -1 3 381.867 3.815 20 0 GHADHM Cc1nc(C(C)(C)NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)sc1C ZINC000822424604 606502853 /nfs/dbraw/zinc/50/28/53/606502853.db2.gz XMYHCKHVEIGHQF-UHFFFAOYSA-N -1 3 394.451 3.566 20 0 GHADHM Cc1nc(C(C)(C)NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)sc1C ZINC000822424604 606502855 /nfs/dbraw/zinc/50/28/55/606502855.db2.gz XMYHCKHVEIGHQF-UHFFFAOYSA-N -1 3 394.451 3.566 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1SC(F)(F)F ZINC000823109118 606512277 /nfs/dbraw/zinc/51/22/77/606512277.db2.gz YWGGUELZJSCKSL-UHFFFAOYSA-N -1 3 379.367 3.660 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1SC(F)(F)F ZINC000823109118 606512278 /nfs/dbraw/zinc/51/22/78/606512278.db2.gz YWGGUELZJSCKSL-UHFFFAOYSA-N -1 3 379.367 3.660 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)c1 ZINC000821854718 606519530 /nfs/dbraw/zinc/51/95/30/606519530.db2.gz SLDCRSHAULZRLC-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1cccc(-c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)c1 ZINC000821854718 606519532 /nfs/dbraw/zinc/51/95/32/606519532.db2.gz SLDCRSHAULZRLC-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1SCC(F)F ZINC000823103271 606568720 /nfs/dbraw/zinc/56/87/20/606568720.db2.gz CIMRORCEQSFQDQ-UHFFFAOYSA-N -1 3 393.394 3.544 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1SCC(F)F ZINC000823103271 606568721 /nfs/dbraw/zinc/56/87/21/606568721.db2.gz CIMRORCEQSFQDQ-UHFFFAOYSA-N -1 3 393.394 3.544 20 0 GHADHM Cc1[nH]nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1-c1cccc(Cl)c1 ZINC000822010198 606585255 /nfs/dbraw/zinc/58/52/55/606585255.db2.gz RQWGZZBTRJTVCE-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM Cc1[nH]nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1-c1cccc(Cl)c1 ZINC000822010198 606585257 /nfs/dbraw/zinc/58/52/57/606585257.db2.gz RQWGZZBTRJTVCE-UHFFFAOYSA-N -1 3 385.840 3.532 20 0 GHADHM C[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1 ZINC000820270075 606587739 /nfs/dbraw/zinc/58/77/39/606587739.db2.gz UQYPIPKGPJCLDS-OAHLLOKOSA-N -1 3 399.458 3.539 20 0 GHADHM FC(F)Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822732572 606597295 /nfs/dbraw/zinc/59/72/95/606597295.db2.gz KKDBQKWHCZSLSW-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM FC(F)Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822732572 606597296 /nfs/dbraw/zinc/59/72/96/606597296.db2.gz KKDBQKWHCZSLSW-UHFFFAOYSA-N -1 3 383.305 3.682 20 0 GHADHM CC(C)c1noc([C@H](C)SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000820211124 606597643 /nfs/dbraw/zinc/59/76/43/606597643.db2.gz FAYRAIILDYCVMO-VIFPVBQESA-N -1 3 396.423 3.969 20 0 GHADHM CC(C)c1noc([C@H](C)SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000820211124 606597644 /nfs/dbraw/zinc/59/76/44/606597644.db2.gz FAYRAIILDYCVMO-VIFPVBQESA-N -1 3 396.423 3.969 20 0 GHADHM Cc1cccc([C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C)c1 ZINC000822288541 606600144 /nfs/dbraw/zinc/60/01/44/606600144.db2.gz AWBJPVYMLUHBIG-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1cccc([C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)c1 ZINC000822288541 606600145 /nfs/dbraw/zinc/60/01/45/606600145.db2.gz AWBJPVYMLUHBIG-SFHVURJKSA-N -1 3 378.480 3.762 20 0 GHADHM CCCCCC(C)(C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821042771 606604068 /nfs/dbraw/zinc/60/40/68/606604068.db2.gz HWEJYVCGNLWNKQ-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821457440 606631957 /nfs/dbraw/zinc/63/19/57/606631957.db2.gz WSZFLCKHDCIGOA-KBPBESRZSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821457440 606631958 /nfs/dbraw/zinc/63/19/58/606631958.db2.gz WSZFLCKHDCIGOA-KBPBESRZSA-N -1 3 391.545 3.609 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823303434 606658725 /nfs/dbraw/zinc/65/87/25/606658725.db2.gz IKUPQOXTLJZFHZ-IINYFYTJSA-N -1 3 380.374 3.682 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823303434 606658726 /nfs/dbraw/zinc/65/87/26/606658726.db2.gz IKUPQOXTLJZFHZ-IINYFYTJSA-N -1 3 380.374 3.682 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1Cl ZINC000820385176 606667804 /nfs/dbraw/zinc/66/78/04/606667804.db2.gz QKRABNZSOHBNCC-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1Cl ZINC000820385176 606667805 /nfs/dbraw/zinc/66/78/05/606667805.db2.gz QKRABNZSOHBNCC-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000820057003 606670782 /nfs/dbraw/zinc/67/07/82/606670782.db2.gz VEWGPIGFNRZAHE-MRXNPFEDSA-N -1 3 397.479 3.834 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000820057003 606670783 /nfs/dbraw/zinc/67/07/83/606670783.db2.gz VEWGPIGFNRZAHE-MRXNPFEDSA-N -1 3 397.479 3.834 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000821681501 606671376 /nfs/dbraw/zinc/67/13/76/606671376.db2.gz MGCRRWSSAQWXDP-CQSZACIVSA-N -1 3 397.454 3.520 20 0 GHADHM COC[C@H](C)CC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000821681501 606671377 /nfs/dbraw/zinc/67/13/77/606671377.db2.gz MGCRRWSSAQWXDP-CQSZACIVSA-N -1 3 397.454 3.520 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)n1 ZINC000822409312 606676322 /nfs/dbraw/zinc/67/63/22/606676322.db2.gz PQNLEOXIGRYVKU-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2)n1 ZINC000822409312 606676323 /nfs/dbraw/zinc/67/63/23/606676323.db2.gz PQNLEOXIGRYVKU-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(Nc1ccc(Nc2ccccc2)nc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823350188 606677320 /nfs/dbraw/zinc/67/73/20/606677320.db2.gz CMOQNNPJNDKCFU-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Nc1ccc(Nc2ccccc2)nc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823350188 606677321 /nfs/dbraw/zinc/67/73/21/606677321.db2.gz CMOQNNPJNDKCFU-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000821480645 606681741 /nfs/dbraw/zinc/68/17/41/606681741.db2.gz CODOLLPYTIYTGB-HNNXBMFYSA-N -1 3 387.390 3.668 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000821480645 606681742 /nfs/dbraw/zinc/68/17/42/606681742.db2.gz CODOLLPYTIYTGB-HNNXBMFYSA-N -1 3 387.390 3.668 20 0 GHADHM CC[C@@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820987685 606684097 /nfs/dbraw/zinc/68/40/97/606684097.db2.gz ATRDYEZZQSRNPJ-CJNGLKHVSA-N -1 3 397.429 3.801 20 0 GHADHM CC[C@@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820987685 606684098 /nfs/dbraw/zinc/68/40/98/606684098.db2.gz ATRDYEZZQSRNPJ-CJNGLKHVSA-N -1 3 397.429 3.801 20 0 GHADHM CCCCC[C@@H](C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000821044279 606687577 /nfs/dbraw/zinc/68/75/77/606687577.db2.gz YNQMYQKRJSNPRB-GOSISDBHSA-N -1 3 398.555 3.804 20 0 GHADHM CCCCC[C@@H](C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000821044279 606687578 /nfs/dbraw/zinc/68/75/78/606687578.db2.gz YNQMYQKRJSNPRB-GOSISDBHSA-N -1 3 398.555 3.804 20 0 GHADHM O=C(Nc1ccc(F)cc1)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823337232 606723792 /nfs/dbraw/zinc/72/37/92/606723792.db2.gz IKFHMRMRVKSASR-UHFFFAOYSA-N -1 3 388.406 3.870 20 0 GHADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(Cl)c2)CC1 ZINC000820576900 606725452 /nfs/dbraw/zinc/72/54/52/606725452.db2.gz BQIKCFRDHFZQFW-UHFFFAOYSA-N -1 3 383.839 3.838 20 0 GHADHM CC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(Cl)c2)CC1 ZINC000820576900 606725453 /nfs/dbraw/zinc/72/54/53/606725453.db2.gz BQIKCFRDHFZQFW-UHFFFAOYSA-N -1 3 383.839 3.838 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](c4cccs4)C3)c2c1 ZINC000822195097 606726368 /nfs/dbraw/zinc/72/63/68/606726368.db2.gz HARGMWBWSYJBHO-MRXNPFEDSA-N -1 3 392.488 3.671 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](c4cccs4)C3)c2c1 ZINC000822195097 606726370 /nfs/dbraw/zinc/72/63/70/606726370.db2.gz HARGMWBWSYJBHO-MRXNPFEDSA-N -1 3 392.488 3.671 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820183481 606744957 /nfs/dbraw/zinc/74/49/57/606744957.db2.gz FEZVJGLPRPOWIV-CYBMUJFWSA-N -1 3 383.477 3.773 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820183481 606744958 /nfs/dbraw/zinc/74/49/58/606744958.db2.gz FEZVJGLPRPOWIV-CYBMUJFWSA-N -1 3 383.477 3.773 20 0 GHADHM CCCN(Cc1noc(-c2ccccc2C)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821104614 606747147 /nfs/dbraw/zinc/74/71/47/606747147.db2.gz KDSCUVNDWPVITP-UHFFFAOYSA-N -1 3 389.463 3.637 20 0 GHADHM CCCN(Cc1noc(-c2ccccc2C)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821104614 606747149 /nfs/dbraw/zinc/74/71/49/606747149.db2.gz KDSCUVNDWPVITP-UHFFFAOYSA-N -1 3 389.463 3.637 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823356356 606771481 /nfs/dbraw/zinc/77/14/81/606771481.db2.gz KYNVBJUJQHUYGQ-SUMWQHHRSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000823356356 606771482 /nfs/dbraw/zinc/77/14/82/606771482.db2.gz KYNVBJUJQHUYGQ-SUMWQHHRSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1C[C@H]2CCC[C@H]21 ZINC000823356813 606772530 /nfs/dbraw/zinc/77/25/30/606772530.db2.gz ONOVDIQYVQAXQP-MLGOLLRUSA-N -1 3 394.410 3.814 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1C[C@H]2CCC[C@H]21 ZINC000823356813 606772533 /nfs/dbraw/zinc/77/25/33/606772533.db2.gz ONOVDIQYVQAXQP-MLGOLLRUSA-N -1 3 394.410 3.814 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971247 606787556 /nfs/dbraw/zinc/78/75/56/606787556.db2.gz AEDUGDLPEUEYSN-QAPCUYQASA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971247 606787558 /nfs/dbraw/zinc/78/75/58/606787558.db2.gz AEDUGDLPEUEYSN-QAPCUYQASA-N -1 3 379.420 3.555 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC2CCSCC2)cc1 ZINC000822146202 606789716 /nfs/dbraw/zinc/78/97/16/606789716.db2.gz WEAKXENAEHTMJT-UHFFFAOYSA-N -1 3 395.488 3.593 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC2CCSCC2)cc1 ZINC000822146202 606789717 /nfs/dbraw/zinc/78/97/17/606789717.db2.gz WEAKXENAEHTMJT-UHFFFAOYSA-N -1 3 395.488 3.593 20 0 GHADHM O=C(CC1CCSCC1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822946636 606811328 /nfs/dbraw/zinc/81/13/28/606811328.db2.gz ZIJLSJVCQDRCGT-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM O=C(CC1CCSCC1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822946636 606811329 /nfs/dbraw/zinc/81/13/29/606811329.db2.gz ZIJLSJVCQDRCGT-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM Cc1cnc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)o1 ZINC000822394602 606830498 /nfs/dbraw/zinc/83/04/98/606830498.db2.gz DSJFMNQIJJQSKA-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM Cc1cnc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)o1 ZINC000822394602 606830501 /nfs/dbraw/zinc/83/05/01/606830501.db2.gz DSJFMNQIJJQSKA-UHFFFAOYSA-N -1 3 391.387 3.621 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(F)cc(Cl)c1 ZINC000821699451 606843799 /nfs/dbraw/zinc/84/37/99/606843799.db2.gz QDFJWZFTPZBNCX-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(F)cc(Cl)c1 ZINC000821699451 606843801 /nfs/dbraw/zinc/84/38/01/606843801.db2.gz QDFJWZFTPZBNCX-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000822214061 606861410 /nfs/dbraw/zinc/86/14/10/606861410.db2.gz NPIIKRYEYZIKNV-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000822214061 606861412 /nfs/dbraw/zinc/86/14/12/606861412.db2.gz NPIIKRYEYZIKNV-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c2)cc1 ZINC000822213920 606864716 /nfs/dbraw/zinc/86/47/16/606864716.db2.gz HBUKKDBYOUBKPT-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c2)cc1 ZINC000822213920 606864718 /nfs/dbraw/zinc/86/47/18/606864718.db2.gz HBUKKDBYOUBKPT-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000821039855 606872530 /nfs/dbraw/zinc/87/25/30/606872530.db2.gz HQFAPYXZHSBTOF-OAHLLOKOSA-N -1 3 392.463 3.706 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000821039855 606872531 /nfs/dbraw/zinc/87/25/31/606872531.db2.gz HQFAPYXZHSBTOF-OAHLLOKOSA-N -1 3 392.463 3.706 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(Cn3cccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000822729115 606920406 /nfs/dbraw/zinc/92/04/06/606920406.db2.gz UCXSPOBYQWWVHO-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(Cn3cccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000822729115 606920408 /nfs/dbraw/zinc/92/04/08/606920408.db2.gz UCXSPOBYQWWVHO-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM COCCOc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000821693495 606921660 /nfs/dbraw/zinc/92/16/60/606921660.db2.gz BAEPJRQIVABLNV-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000821693495 606921662 /nfs/dbraw/zinc/92/16/62/606921662.db2.gz BAEPJRQIVABLNV-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM FC(F)(F)c1ccc(N2CCCN(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822723978 606923267 /nfs/dbraw/zinc/92/32/67/606923267.db2.gz VHDILPBQMMIZKR-UHFFFAOYSA-N -1 3 388.397 3.602 20 0 GHADHM FC(F)(F)c1ccc(N2CCCN(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723978 606923269 /nfs/dbraw/zinc/92/32/69/606923269.db2.gz VHDILPBQMMIZKR-UHFFFAOYSA-N -1 3 388.397 3.602 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299074 606924084 /nfs/dbraw/zinc/92/40/84/606924084.db2.gz GFAPAMDPGVBRHL-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299074 606924086 /nfs/dbraw/zinc/92/40/86/606924086.db2.gz GFAPAMDPGVBRHL-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O[C@@H](CN(Cc1cccs1)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673330 606925329 /nfs/dbraw/zinc/92/53/29/606925329.db2.gz KWTBSHGJNLUJAZ-IBGZPJMESA-N -1 3 395.463 3.808 20 0 GHADHM O[C@@H](CN(Cc1cccs1)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673330 606925331 /nfs/dbraw/zinc/92/53/31/606925331.db2.gz KWTBSHGJNLUJAZ-IBGZPJMESA-N -1 3 395.463 3.808 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820847365 606927184 /nfs/dbraw/zinc/92/71/84/606927184.db2.gz BWLZFMCYWBXOLL-UHFFFAOYSA-N -1 3 382.443 3.536 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820847365 606927186 /nfs/dbraw/zinc/92/71/86/606927186.db2.gz BWLZFMCYWBXOLL-UHFFFAOYSA-N -1 3 382.443 3.536 20 0 GHADHM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)s1 ZINC000819971450 606945612 /nfs/dbraw/zinc/94/56/12/606945612.db2.gz LPZUFBSFVNUHLO-UHFFFAOYSA-N -1 3 383.403 3.647 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(O[C@H]2CCOC2)c1 ZINC000822238628 606948103 /nfs/dbraw/zinc/94/81/03/606948103.db2.gz OXEMORDDULEJEJ-HNNXBMFYSA-N -1 3 385.855 3.608 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(O[C@H]2CCOC2)c1 ZINC000822238628 606948104 /nfs/dbraw/zinc/94/81/04/606948104.db2.gz OXEMORDDULEJEJ-HNNXBMFYSA-N -1 3 385.855 3.608 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820950069 606953151 /nfs/dbraw/zinc/95/31/51/606953151.db2.gz JCSJRWWARSSMOA-FQEVSTJZSA-N -1 3 393.451 3.708 20 0 GHADHM O=C(Nc1cc(F)cc(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823299172 606955986 /nfs/dbraw/zinc/95/59/86/606955986.db2.gz LFKFYGZXEBFIBT-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1cc(F)cc(Cl)c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823299172 606955988 /nfs/dbraw/zinc/95/59/88/606955988.db2.gz LFKFYGZXEBFIBT-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM Cc1cccc2c(CCC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c[nH]c21 ZINC000822331968 606959403 /nfs/dbraw/zinc/95/94/03/606959403.db2.gz JZBGLFARPQQEGP-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM Cc1cccc2c(CCC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c[nH]c21 ZINC000822331968 606959405 /nfs/dbraw/zinc/95/94/05/606959405.db2.gz JZBGLFARPQQEGP-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569566 606960805 /nfs/dbraw/zinc/96/08/05/606960805.db2.gz OJJSDUCZTNLRHG-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569566 606960806 /nfs/dbraw/zinc/96/08/06/606960806.db2.gz OJJSDUCZTNLRHG-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM COc1ccc2oc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c(C)c2c1 ZINC000821854128 606961635 /nfs/dbraw/zinc/96/16/35/606961635.db2.gz FKCRSCLRKKRFLV-UHFFFAOYSA-N -1 3 397.822 3.860 20 0 GHADHM COc1ccc2oc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c(C)c2c1 ZINC000821854128 606961637 /nfs/dbraw/zinc/96/16/37/606961637.db2.gz FKCRSCLRKKRFLV-UHFFFAOYSA-N -1 3 397.822 3.860 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC000819899114 606964921 /nfs/dbraw/zinc/96/49/21/606964921.db2.gz NRMFSIIYDJMHOR-AWEZNQCLSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC000819899114 606964924 /nfs/dbraw/zinc/96/49/24/606964924.db2.gz NRMFSIIYDJMHOR-AWEZNQCLSA-N -1 3 377.420 3.724 20 0 GHADHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1F ZINC000821610906 606965747 /nfs/dbraw/zinc/96/57/47/606965747.db2.gz JUGSJTPBZPFWAJ-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)Cc1cc(Br)ccc1F ZINC000821610906 606965748 /nfs/dbraw/zinc/96/57/48/606965748.db2.gz JUGSJTPBZPFWAJ-UHFFFAOYSA-N -1 3 394.223 3.539 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822263080 606993814 /nfs/dbraw/zinc/99/38/14/606993814.db2.gz JGPQETPOJIJEDS-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM Cc1ccc(OCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822263080 606993817 /nfs/dbraw/zinc/99/38/17/606993817.db2.gz JGPQETPOJIJEDS-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822936394 606999089 /nfs/dbraw/zinc/99/90/89/606999089.db2.gz UEAUUQRZVUNWJG-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822936394 606999091 /nfs/dbraw/zinc/99/90/91/606999091.db2.gz UEAUUQRZVUNWJG-AWEZNQCLSA-N -1 3 394.328 3.785 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000819883996 607001098 /nfs/dbraw/zinc/00/10/98/607001098.db2.gz QBOJJSUUVJBKII-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000819883996 607001101 /nfs/dbraw/zinc/00/11/01/607001101.db2.gz QBOJJSUUVJBKII-SNVBAGLBSA-N -1 3 394.328 3.872 20 0 GHADHM Fc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000822774877 607005444 /nfs/dbraw/zinc/00/54/44/607005444.db2.gz QKTCDTYUDUQZBH-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1-c1nn[n-]n1 ZINC000822774877 607005446 /nfs/dbraw/zinc/00/54/46/607005446.db2.gz QKTCDTYUDUQZBH-UHFFFAOYSA-N -1 3 399.480 3.762 20 0 GHADHM Fc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1-c1nnn[n-]1 ZINC000822774283 607007086 /nfs/dbraw/zinc/00/70/86/607007086.db2.gz IYYKFGJYOLMHPV-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Fc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1-c1nn[n-]n1 ZINC000822774283 607007088 /nfs/dbraw/zinc/00/70/88/607007088.db2.gz IYYKFGJYOLMHPV-UHFFFAOYSA-N -1 3 399.480 3.953 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Sc3ccc(-c4nnn[n-]4)cn3)o2)cc1C ZINC000822214164 607008682 /nfs/dbraw/zinc/00/86/82/607008682.db2.gz RUXDQHFTTFHYRL-GFCCVEGCSA-N -1 3 379.449 3.782 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Sc3ccc(-c4nn[n-]n4)cn3)o2)cc1C ZINC000822214164 607008683 /nfs/dbraw/zinc/00/86/83/607008683.db2.gz RUXDQHFTTFHYRL-GFCCVEGCSA-N -1 3 379.449 3.782 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000821117874 607042734 /nfs/dbraw/zinc/04/27/34/607042734.db2.gz CCRKPYVXDKEASI-SFHVURJKSA-N -1 3 394.504 3.658 20 0 GHADHM CC(C)C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067823 607052073 /nfs/dbraw/zinc/05/20/73/607052073.db2.gz MALXKJNLWVMLSJ-KRWDZBQOSA-N -1 3 385.512 3.701 20 0 GHADHM CC(C)C[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067823 607052075 /nfs/dbraw/zinc/05/20/75/607052075.db2.gz MALXKJNLWVMLSJ-KRWDZBQOSA-N -1 3 385.512 3.701 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820915766 607097331 /nfs/dbraw/zinc/09/73/31/607097331.db2.gz XIDPNDRGIZDMOE-JXFKEZNVSA-N -1 3 392.507 3.981 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820915766 607097332 /nfs/dbraw/zinc/09/73/32/607097332.db2.gz XIDPNDRGIZDMOE-JXFKEZNVSA-N -1 3 392.507 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000822197591 607110203 /nfs/dbraw/zinc/11/02/03/607110203.db2.gz HBSHBLGUXCBVQP-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)Nc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000822197591 607110205 /nfs/dbraw/zinc/11/02/05/607110205.db2.gz HBSHBLGUXCBVQP-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000822197592 607110390 /nfs/dbraw/zinc/11/03/90/607110390.db2.gz HBSHBLGUXCBVQP-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000822197592 607110393 /nfs/dbraw/zinc/11/03/93/607110393.db2.gz HBSHBLGUXCBVQP-CQSZACIVSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC2(CC1)OCc1ccccc12 ZINC000822331636 607119280 /nfs/dbraw/zinc/11/92/80/607119280.db2.gz IVKWMRGUCGFQEO-UHFFFAOYSA-N -1 3 398.470 3.749 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC2(CC1)OCc1ccccc12 ZINC000822331636 607119282 /nfs/dbraw/zinc/11/92/82/607119282.db2.gz IVKWMRGUCGFQEO-UHFFFAOYSA-N -1 3 398.470 3.749 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820937743 607153918 /nfs/dbraw/zinc/15/39/18/607153918.db2.gz CNEZJCKXBRRJBE-LJQANCHMSA-N -1 3 385.512 3.732 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820937743 607153919 /nfs/dbraw/zinc/15/39/19/607153919.db2.gz CNEZJCKXBRRJBE-LJQANCHMSA-N -1 3 385.512 3.732 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821898760 607162376 /nfs/dbraw/zinc/16/23/76/607162376.db2.gz RNHMSKWIKBMOLX-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821898760 607162377 /nfs/dbraw/zinc/16/23/77/607162377.db2.gz RNHMSKWIKBMOLX-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM CSC[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821960819 607166232 /nfs/dbraw/zinc/16/62/32/607166232.db2.gz DBSYYOSGSGWVAJ-INIZCTEOSA-N -1 3 395.488 3.627 20 0 GHADHM CSC[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821960819 607166234 /nfs/dbraw/zinc/16/62/34/607166234.db2.gz DBSYYOSGSGWVAJ-INIZCTEOSA-N -1 3 395.488 3.627 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccc(C)cc1 ZINC000821565419 607169787 /nfs/dbraw/zinc/16/97/87/607169787.db2.gz RVRDTWUXWDADCU-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccc(C)cc1 ZINC000821565419 607169788 /nfs/dbraw/zinc/16/97/88/607169788.db2.gz RVRDTWUXWDADCU-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000822744381 607174762 /nfs/dbraw/zinc/17/47/62/607174762.db2.gz RDUMSJIZXOUUQK-ZDUSSCGKSA-N -1 3 384.484 3.725 20 0 GHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822201905 607189061 /nfs/dbraw/zinc/18/90/61/607189061.db2.gz AUUAQVGTHRHLQY-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822201905 607189062 /nfs/dbraw/zinc/18/90/62/607189062.db2.gz AUUAQVGTHRHLQY-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822201904 607189228 /nfs/dbraw/zinc/18/92/28/607189228.db2.gz AUUAQVGTHRHLQY-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822201904 607189229 /nfs/dbraw/zinc/18/92/29/607189229.db2.gz AUUAQVGTHRHLQY-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974378 607191098 /nfs/dbraw/zinc/19/10/98/607191098.db2.gz JJTCVKMZUGHOFT-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974378 607191099 /nfs/dbraw/zinc/19/10/99/607191099.db2.gz JJTCVKMZUGHOFT-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822935435 607191110 /nfs/dbraw/zinc/19/11/10/607191110.db2.gz KYSDTGJNCOPBSO-SOFGYWHQSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822935435 607191111 /nfs/dbraw/zinc/19/11/11/607191111.db2.gz KYSDTGJNCOPBSO-SOFGYWHQSA-N -1 3 376.807 3.720 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820534550 607191533 /nfs/dbraw/zinc/19/15/33/607191533.db2.gz LLASQZDWQUAKJZ-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820534550 607191534 /nfs/dbraw/zinc/19/15/34/607191534.db2.gz LLASQZDWQUAKJZ-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM O=C(CCSc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974314 607192089 /nfs/dbraw/zinc/19/20/89/607192089.db2.gz GTERXNNZUZYSQW-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974314 607192090 /nfs/dbraw/zinc/19/20/90/607192090.db2.gz GTERXNNZUZYSQW-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822283700 607192885 /nfs/dbraw/zinc/19/28/85/607192885.db2.gz AYQXTIBVFCUIGS-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822283700 607192886 /nfs/dbraw/zinc/19/28/86/607192886.db2.gz AYQXTIBVFCUIGS-UHFFFAOYSA-N -1 3 384.443 3.509 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](c1ccccc1)C(F)(F)F ZINC000823319324 607199837 /nfs/dbraw/zinc/19/98/37/607199837.db2.gz SEGZWBPILUIYPS-CYBMUJFWSA-N -1 3 396.760 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](c1ccccc1)C(F)(F)F ZINC000823319324 607199838 /nfs/dbraw/zinc/19/98/38/607199838.db2.gz SEGZWBPILUIYPS-CYBMUJFWSA-N -1 3 396.760 3.945 20 0 GHADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821827495 607202894 /nfs/dbraw/zinc/20/28/94/607202894.db2.gz CVJLRUYEOLEQTJ-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821827495 607202895 /nfs/dbraw/zinc/20/28/95/607202895.db2.gz CVJLRUYEOLEQTJ-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000822215082 607226595 /nfs/dbraw/zinc/22/65/95/607226595.db2.gz LBOSZGCGAZEFCH-UHFFFAOYSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000822215082 607226596 /nfs/dbraw/zinc/22/65/96/607226596.db2.gz LBOSZGCGAZEFCH-UHFFFAOYSA-N -1 3 377.477 3.564 20 0 GHADHM Fc1ccc([C@@H]2CN(c3cc(-c4nnn[n-]4)ccc3C(F)(F)F)CCO2)cc1 ZINC000822767133 607227673 /nfs/dbraw/zinc/22/76/73/607227673.db2.gz XSLMQPUJEIRUAX-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@@H]2CN(c3cc(-c4nn[n-]n4)ccc3C(F)(F)F)CCO2)cc1 ZINC000822767133 607227674 /nfs/dbraw/zinc/22/76/74/607227674.db2.gz XSLMQPUJEIRUAX-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C[C@@H](c2ccccc2)O1 ZINC000820769141 607227761 /nfs/dbraw/zinc/22/77/61/607227761.db2.gz RQQCMOKGTYQBOB-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C[C@@H](c2ccccc2)O1 ZINC000820769141 607227762 /nfs/dbraw/zinc/22/77/62/607227762.db2.gz RQQCMOKGTYQBOB-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM Cc1nc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c(C)s1 ZINC000822437157 607237556 /nfs/dbraw/zinc/23/75/56/607237556.db2.gz XDFGNAMSCNYBHJ-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM Cc1nc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c(C)s1 ZINC000822437157 607237557 /nfs/dbraw/zinc/23/75/57/607237557.db2.gz XDFGNAMSCNYBHJ-UHFFFAOYSA-N -1 3 396.501 3.850 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822418719 607240962 /nfs/dbraw/zinc/24/09/62/607240962.db2.gz FOOUODYLNPAXDU-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822418719 607240963 /nfs/dbraw/zinc/24/09/63/607240963.db2.gz FOOUODYLNPAXDU-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000819884177 607244044 /nfs/dbraw/zinc/24/40/44/607244044.db2.gz SRHIXBVQWNEBMM-VIFPVBQESA-N -1 3 380.301 3.734 20 0 GHADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000819884177 607244045 /nfs/dbraw/zinc/24/40/45/607244045.db2.gz SRHIXBVQWNEBMM-VIFPVBQESA-N -1 3 380.301 3.734 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)c2)c1 ZINC000822284068 607248805 /nfs/dbraw/zinc/24/88/05/607248805.db2.gz INIFMCUTLGOQBF-UHFFFAOYSA-N -1 3 375.363 3.595 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)c2)c1 ZINC000822284068 607248806 /nfs/dbraw/zinc/24/88/06/607248806.db2.gz INIFMCUTLGOQBF-UHFFFAOYSA-N -1 3 375.363 3.595 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915143 607782221 /nfs/dbraw/zinc/78/22/21/607782221.db2.gz BKHPFNGQENTDRV-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915143 607782222 /nfs/dbraw/zinc/78/22/22/607782222.db2.gz BKHPFNGQENTDRV-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1-c1nnn[n-]1 ZINC000825552665 607784117 /nfs/dbraw/zinc/78/41/17/607784117.db2.gz CPRYFKDHYVEQJB-NSHDSACASA-N -1 3 399.455 3.894 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1-c1nn[n-]n1 ZINC000825552665 607784118 /nfs/dbraw/zinc/78/41/18/607784118.db2.gz CPRYFKDHYVEQJB-NSHDSACASA-N -1 3 399.455 3.894 20 0 GHADHM O=C(CS[C@H]1CCc2c1cccc2Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826419655 607786096 /nfs/dbraw/zinc/78/60/96/607786096.db2.gz GSGXKUXLDNEGLU-KRWDZBQOSA-N -1 3 399.907 3.557 20 0 GHADHM O=C(CS[C@H]1CCc2c1cccc2Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826419655 607786097 /nfs/dbraw/zinc/78/60/97/607786097.db2.gz GSGXKUXLDNEGLU-KRWDZBQOSA-N -1 3 399.907 3.557 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824738506 607787010 /nfs/dbraw/zinc/78/70/10/607787010.db2.gz PNXNCRJPGIASRD-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824738506 607787011 /nfs/dbraw/zinc/78/70/11/607787011.db2.gz PNXNCRJPGIASRD-CQSZACIVSA-N -1 3 379.464 3.595 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812941 607787347 /nfs/dbraw/zinc/78/73/47/607787347.db2.gz YGCZDXCKLRUFKO-CHWSQXEVSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812941 607787348 /nfs/dbraw/zinc/78/73/48/607787348.db2.gz YGCZDXCKLRUFKO-CHWSQXEVSA-N -1 3 388.258 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000824040432 607787859 /nfs/dbraw/zinc/78/78/59/607787859.db2.gz PQXJWIOHCYCNDX-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000824040432 607787860 /nfs/dbraw/zinc/78/78/60/607787860.db2.gz PQXJWIOHCYCNDX-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470055 607815935 /nfs/dbraw/zinc/81/59/35/607815935.db2.gz FOZKNMCYYKYXRK-KBXCAEBGSA-N -1 3 379.464 3.600 20 0 GHADHM C[C@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470055 607815936 /nfs/dbraw/zinc/81/59/36/607815936.db2.gz FOZKNMCYYKYXRK-KBXCAEBGSA-N -1 3 379.464 3.600 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826286965 607818082 /nfs/dbraw/zinc/81/80/82/607818082.db2.gz XGBOPQLPEHIPPX-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826286965 607818083 /nfs/dbraw/zinc/81/80/83/607818083.db2.gz XGBOPQLPEHIPPX-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1sccc1-c1nnn[n-]1 ZINC000826455486 607824510 /nfs/dbraw/zinc/82/45/10/607824510.db2.gz QAVBGDLJSFIVPB-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1ccc(SCc2ccccc2)cn1)c1sccc1-c1nn[n-]n1 ZINC000826455486 607824511 /nfs/dbraw/zinc/82/45/11/607824511.db2.gz QAVBGDLJSFIVPB-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(NCCc1cccc(Cl)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439921 607833618 /nfs/dbraw/zinc/83/36/18/607833618.db2.gz QJABLBSWALSWJQ-UHFFFAOYSA-N -1 3 396.665 3.799 20 0 GHADHM O=C(NCCc1cccc(Cl)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439921 607833619 /nfs/dbraw/zinc/83/36/19/607833619.db2.gz QJABLBSWALSWJQ-UHFFFAOYSA-N -1 3 396.665 3.799 20 0 GHADHM O=C(NCCc1ccccc1Cl)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439740 607834639 /nfs/dbraw/zinc/83/46/39/607834639.db2.gz HZEKZRZGMJUPHZ-UHFFFAOYSA-N -1 3 396.665 3.799 20 0 GHADHM O=C(NCCc1ccccc1Cl)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439740 607834640 /nfs/dbraw/zinc/83/46/40/607834640.db2.gz HZEKZRZGMJUPHZ-UHFFFAOYSA-N -1 3 396.665 3.799 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825668114 607835066 /nfs/dbraw/zinc/83/50/66/607835066.db2.gz BBXYBYSSFAZYQC-VXGBXAGGSA-N -1 3 386.308 3.578 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825668114 607835067 /nfs/dbraw/zinc/83/50/67/607835067.db2.gz BBXYBYSSFAZYQC-VXGBXAGGSA-N -1 3 386.308 3.578 20 0 GHADHM c1cnc(OC2CCCC2)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826525648 607840820 /nfs/dbraw/zinc/84/08/20/607840820.db2.gz SRSFJVZIDFHJAR-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1cnc(OC2CCCC2)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826525648 607840821 /nfs/dbraw/zinc/84/08/21/607840821.db2.gz SRSFJVZIDFHJAR-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3ccnc3)cc2)cc1-c1nnn[n-]1 ZINC000826369298 607842444 /nfs/dbraw/zinc/84/24/44/607842444.db2.gz WTEZFEFNAJNWQJ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3ccnc3)cc2)cc1-c1nn[n-]n1 ZINC000826369298 607842445 /nfs/dbraw/zinc/84/24/45/607842445.db2.gz WTEZFEFNAJNWQJ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825012771 607843753 /nfs/dbraw/zinc/84/37/53/607843753.db2.gz LLELUWGDQOZVDI-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825012771 607843754 /nfs/dbraw/zinc/84/37/54/607843754.db2.gz LLELUWGDQOZVDI-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM Cn1cc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3Cl)cs2)cn1 ZINC000826356625 607843992 /nfs/dbraw/zinc/84/39/92/607843992.db2.gz YYYBVVFBNDJBHO-UHFFFAOYSA-N -1 3 389.897 3.669 20 0 GHADHM Cn1cc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3Cl)cs2)cn1 ZINC000826356625 607843993 /nfs/dbraw/zinc/84/39/93/607843993.db2.gz YYYBVVFBNDJBHO-UHFFFAOYSA-N -1 3 389.897 3.669 20 0 GHADHM COc1ccc(COCCSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826206648 607844833 /nfs/dbraw/zinc/84/48/33/607844833.db2.gz FRBWYXUXGOCHRZ-UHFFFAOYSA-N -1 3 376.869 3.838 20 0 GHADHM COc1ccc(COCCSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826206648 607844834 /nfs/dbraw/zinc/84/48/34/607844834.db2.gz FRBWYXUXGOCHRZ-UHFFFAOYSA-N -1 3 376.869 3.838 20 0 GHADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000826234454 607855581 /nfs/dbraw/zinc/85/55/81/607855581.db2.gz XIFOIKFTQGILFG-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1-c1ccccn1 ZINC000826234454 607855582 /nfs/dbraw/zinc/85/55/82/607855582.db2.gz XIFOIKFTQGILFG-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367235 607877838 /nfs/dbraw/zinc/87/78/38/607877838.db2.gz LNXRFGUSUKSNPH-ZDUSSCGKSA-N -1 3 397.866 3.829 20 0 GHADHM CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367235 607877839 /nfs/dbraw/zinc/87/78/39/607877839.db2.gz LNXRFGUSUKSNPH-ZDUSSCGKSA-N -1 3 397.866 3.829 20 0 GHADHM O[C@H](COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc(F)cc1 ZINC000826505431 607878610 /nfs/dbraw/zinc/87/86/10/607878610.db2.gz VLRSYMZILZRCDQ-HXUWFJFHSA-N -1 3 392.390 3.911 20 0 GHADHM O[C@H](COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc(F)cc1 ZINC000826505431 607878611 /nfs/dbraw/zinc/87/86/11/607878611.db2.gz VLRSYMZILZRCDQ-HXUWFJFHSA-N -1 3 392.390 3.911 20 0 GHADHM CCN(C(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371529 607878820 /nfs/dbraw/zinc/87/88/20/607878820.db2.gz HOOPCRQIJNSSMC-SFHVURJKSA-N -1 3 397.866 3.577 20 0 GHADHM CCN(C(=O)C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371529 607878821 /nfs/dbraw/zinc/87/88/21/607878821.db2.gz HOOPCRQIJNSSMC-SFHVURJKSA-N -1 3 397.866 3.577 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCCO1 ZINC000824852661 607894527 /nfs/dbraw/zinc/89/45/27/607894527.db2.gz PDUKPHBQMOBXJW-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCCO1 ZINC000824852661 607894528 /nfs/dbraw/zinc/89/45/28/607894528.db2.gz PDUKPHBQMOBXJW-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000824650266 607902643 /nfs/dbraw/zinc/90/26/43/607902643.db2.gz QIWIBCWWYRKGNC-JGFSIVIASA-N -1 3 395.410 3.796 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000824650266 607902644 /nfs/dbraw/zinc/90/26/44/607902644.db2.gz QIWIBCWWYRKGNC-JGFSIVIASA-N -1 3 395.410 3.796 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000824648641 607902801 /nfs/dbraw/zinc/90/28/01/607902801.db2.gz IAFYHUWFQIVOGM-BLBHWQHRSA-N -1 3 395.410 3.796 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826323726 607913087 /nfs/dbraw/zinc/91/30/87/607913087.db2.gz PERSBEWCJFBLSO-ZDUSSCGKSA-N -1 3 384.509 3.517 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826323726 607913088 /nfs/dbraw/zinc/91/30/88/607913088.db2.gz PERSBEWCJFBLSO-ZDUSSCGKSA-N -1 3 384.509 3.517 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000826278055 607918432 /nfs/dbraw/zinc/91/84/32/607918432.db2.gz PXMMDGBMHVQEOD-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000826278055 607918433 /nfs/dbraw/zinc/91/84/33/607918433.db2.gz PXMMDGBMHVQEOD-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824457717 607920579 /nfs/dbraw/zinc/92/05/79/607920579.db2.gz QUGQJBLRHPRXFK-JTQLQIEISA-N -1 3 387.896 3.888 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824457717 607920580 /nfs/dbraw/zinc/92/05/80/607920580.db2.gz QUGQJBLRHPRXFK-JTQLQIEISA-N -1 3 387.896 3.888 20 0 GHADHM CC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)noc1C ZINC000825141323 607930861 /nfs/dbraw/zinc/93/08/61/607930861.db2.gz NWERCKPZRVQMFL-CYBMUJFWSA-N -1 3 391.888 3.563 20 0 GHADHM CC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)noc1C ZINC000825141323 607930862 /nfs/dbraw/zinc/93/08/62/607930862.db2.gz NWERCKPZRVQMFL-CYBMUJFWSA-N -1 3 391.888 3.563 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1C(F)(F)F ZINC000824038917 607947462 /nfs/dbraw/zinc/94/74/62/607947462.db2.gz AVJIYYHXRDUMFS-LLVKDONJSA-N -1 3 387.365 3.578 20 0 GHADHM C[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1C(F)(F)F ZINC000824038917 607947463 /nfs/dbraw/zinc/94/74/63/607947463.db2.gz AVJIYYHXRDUMFS-LLVKDONJSA-N -1 3 387.365 3.578 20 0 GHADHM O=C(c1sccc1-c1ccc(F)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826475936 607955470 /nfs/dbraw/zinc/95/54/70/607955470.db2.gz WOWPLWMGHAWMES-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM O=C(c1sccc1-c1ccc(F)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826475936 607955471 /nfs/dbraw/zinc/95/54/71/607955471.db2.gz WOWPLWMGHAWMES-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)s1 ZINC000825693743 607962309 /nfs/dbraw/zinc/96/23/09/607962309.db2.gz CGTFBPUIWISIBV-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)s1 ZINC000825693743 607962310 /nfs/dbraw/zinc/96/23/10/607962310.db2.gz CGTFBPUIWISIBV-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C)c2Br)s1 ZINC000825694094 607962452 /nfs/dbraw/zinc/96/24/52/607962452.db2.gz JYDFSUDJHKFIBM-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C)c2Br)s1 ZINC000825694094 607962453 /nfs/dbraw/zinc/96/24/53/607962453.db2.gz JYDFSUDJHKFIBM-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826208072 607965792 /nfs/dbraw/zinc/96/57/92/607965792.db2.gz RKPMOQQMWPBDAH-DOMZBBRYSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826208072 607965793 /nfs/dbraw/zinc/96/57/93/607965793.db2.gz RKPMOQQMWPBDAH-DOMZBBRYSA-N -1 3 399.524 3.819 20 0 GHADHM Cc1cc([C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)ccc1F ZINC000826262254 607968846 /nfs/dbraw/zinc/96/88/46/607968846.db2.gz JOJXSIVKKMBDEC-QGZVFWFLSA-N -1 3 382.468 3.752 20 0 GHADHM Cc1cc([C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)ccc1F ZINC000826262254 607968847 /nfs/dbraw/zinc/96/88/47/607968847.db2.gz JOJXSIVKKMBDEC-QGZVFWFLSA-N -1 3 382.468 3.752 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc2c(cc1OC)C[C@@H](C)O2 ZINC000825352699 607975090 /nfs/dbraw/zinc/97/50/90/607975090.db2.gz PGZWOUGWSZCWJW-GFCCVEGCSA-N -1 3 390.447 3.625 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc2c(cc1OC)C[C@@H](C)O2 ZINC000825352699 607975091 /nfs/dbraw/zinc/97/50/91/607975091.db2.gz PGZWOUGWSZCWJW-GFCCVEGCSA-N -1 3 390.447 3.625 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385443 607978460 /nfs/dbraw/zinc/97/84/60/607978460.db2.gz GDTVKXOEAKRPHJ-LBPRGKRZSA-N -1 3 385.855 3.752 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385443 607978461 /nfs/dbraw/zinc/97/84/61/607978461.db2.gz GDTVKXOEAKRPHJ-LBPRGKRZSA-N -1 3 385.855 3.752 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1CCC(F)(F)F ZINC000826468229 608006850 /nfs/dbraw/zinc/00/68/50/608006850.db2.gz HBOWBCUHIXKSKC-UHFFFAOYSA-N -1 3 380.301 3.720 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1CCC(F)(F)F ZINC000826468229 608006851 /nfs/dbraw/zinc/00/68/51/608006851.db2.gz HBOWBCUHIXKSKC-UHFFFAOYSA-N -1 3 380.301 3.720 20 0 GHADHM COc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000826218507 608017108 /nfs/dbraw/zinc/01/71/08/608017108.db2.gz DVHNYHNHMIYYFR-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM Oc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3Br)CC2)cc1 ZINC000826510641 608047776 /nfs/dbraw/zinc/04/77/76/608047776.db2.gz BVYBFAWLHOARRH-UHFFFAOYSA-N -1 3 398.264 3.629 20 0 GHADHM Clc1ccc2c(c1)nccc2N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353027 608052667 /nfs/dbraw/zinc/05/26/67/608052667.db2.gz YBVUHXDKGDEUBA-LJQANCHMSA-N -1 3 392.850 3.646 20 0 GHADHM Fc1ccc(Br)c(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826373153 608056137 /nfs/dbraw/zinc/05/61/37/608056137.db2.gz BGSMDTHUKKYJQK-UHFFFAOYSA-N -1 3 388.244 3.547 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCC(F)(F)CC1 ZINC000824255527 608072089 /nfs/dbraw/zinc/07/20/89/608072089.db2.gz MYIRUJQZEZZPCM-UHFFFAOYSA-N -1 3 392.454 3.612 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCC(F)(F)CC1 ZINC000824255527 608072090 /nfs/dbraw/zinc/07/20/90/608072090.db2.gz MYIRUJQZEZZPCM-UHFFFAOYSA-N -1 3 392.454 3.612 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826236289 608074274 /nfs/dbraw/zinc/07/42/74/608074274.db2.gz GJRPRGCKSAMHHK-SREVYHEPSA-N -1 3 375.766 3.759 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826236289 608074275 /nfs/dbraw/zinc/07/42/75/608074275.db2.gz GJRPRGCKSAMHHK-SREVYHEPSA-N -1 3 375.766 3.759 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1=O ZINC000824867282 608119479 /nfs/dbraw/zinc/11/94/79/608119479.db2.gz OZIJXDVCOFWPDL-HIFRSBDPSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1=O ZINC000824867282 608119480 /nfs/dbraw/zinc/11/94/80/608119480.db2.gz OZIJXDVCOFWPDL-HIFRSBDPSA-N -1 3 391.431 3.603 20 0 GHADHM CCc1cnc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000825735749 608131409 /nfs/dbraw/zinc/13/14/09/608131409.db2.gz UINDURZMBREJTQ-UHFFFAOYSA-N -1 3 382.518 3.904 20 0 GHADHM CCc1cnc(CNCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)s1 ZINC000825735749 608131410 /nfs/dbraw/zinc/13/14/10/608131410.db2.gz UINDURZMBREJTQ-UHFFFAOYSA-N -1 3 382.518 3.904 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1c(Cl)oc2ccccc21 ZINC000826161898 608136305 /nfs/dbraw/zinc/13/63/05/608136305.db2.gz DKMSWBGVWMBKGJ-UHFFFAOYSA-N -1 3 399.838 3.904 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1c(Cl)oc2ccccc21 ZINC000826161898 608136306 /nfs/dbraw/zinc/13/63/06/608136306.db2.gz DKMSWBGVWMBKGJ-UHFFFAOYSA-N -1 3 399.838 3.904 20 0 GHADHM COc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000826194694 608156253 /nfs/dbraw/zinc/15/62/53/608156253.db2.gz SYOAYPVJZIBLNT-UHFFFAOYSA-N -1 3 399.882 3.572 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347551 608159170 /nfs/dbraw/zinc/15/91/70/608159170.db2.gz CXLVWDKGBNCSFO-IBGZPJMESA-N -1 3 376.464 3.753 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347551 608159171 /nfs/dbraw/zinc/15/91/71/608159171.db2.gz CXLVWDKGBNCSFO-IBGZPJMESA-N -1 3 376.464 3.753 20 0 GHADHM C[C@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824473288 608159674 /nfs/dbraw/zinc/15/96/74/608159674.db2.gz ZQHGWLHQIFCTCG-ZDUSSCGKSA-N -1 3 381.867 3.720 20 0 GHADHM C[C@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824473288 608159676 /nfs/dbraw/zinc/15/96/76/608159676.db2.gz ZQHGWLHQIFCTCG-ZDUSSCGKSA-N -1 3 381.867 3.720 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCCc1sccc1C ZINC000825789103 608175471 /nfs/dbraw/zinc/17/54/71/608175471.db2.gz WGADVYTXYAXLDG-UHFFFAOYSA-N -1 3 395.492 3.568 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCCc1sccc1C ZINC000825789103 608175472 /nfs/dbraw/zinc/17/54/72/608175472.db2.gz WGADVYTXYAXLDG-UHFFFAOYSA-N -1 3 395.492 3.568 20 0 GHADHM C[C@@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826232065 608188485 /nfs/dbraw/zinc/18/84/85/608188485.db2.gz JEEUSPNOPIOPML-GFCCVEGCSA-N -1 3 380.360 3.550 20 0 GHADHM C[C@@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826232065 608188487 /nfs/dbraw/zinc/18/84/87/608188487.db2.gz JEEUSPNOPIOPML-GFCCVEGCSA-N -1 3 380.360 3.550 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OC[C@@]2(C)CCOC2)cc1 ZINC000826254969 608200364 /nfs/dbraw/zinc/20/03/64/608200364.db2.gz HGZIKRAYEHRILX-NRFANRHFSA-N -1 3 394.431 3.551 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OC[C@@]2(C)CCOC2)cc1 ZINC000826254969 608200366 /nfs/dbraw/zinc/20/03/66/608200366.db2.gz HGZIKRAYEHRILX-NRFANRHFSA-N -1 3 394.431 3.551 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000824319159 608204198 /nfs/dbraw/zinc/20/41/98/608204198.db2.gz HUVUYNKJLMNVKC-AWEZNQCLSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000824319159 608204200 /nfs/dbraw/zinc/20/42/00/608204200.db2.gz HUVUYNKJLMNVKC-AWEZNQCLSA-N -1 3 384.484 3.698 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000824755234 608206932 /nfs/dbraw/zinc/20/69/32/608206932.db2.gz KLLDZAVDBKOWQL-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000824755234 608206933 /nfs/dbraw/zinc/20/69/33/608206933.db2.gz KLLDZAVDBKOWQL-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM Brc1ccc2ccc(C=Cc3ccc(-c4nnn[n-]4)cn3)nc2c1 ZINC000823832298 608213130 /nfs/dbraw/zinc/21/31/30/608213130.db2.gz LGVPTMKRANXJIY-FPLPWBNLSA-N -1 3 379.221 3.743 20 0 GHADHM Brc1ccc2ccc(C=Cc3ccc(-c4nn[n-]n4)cn3)nc2c1 ZINC000823832298 608213132 /nfs/dbraw/zinc/21/31/32/608213132.db2.gz LGVPTMKRANXJIY-FPLPWBNLSA-N -1 3 379.221 3.743 20 0 GHADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824384355 608219369 /nfs/dbraw/zinc/21/93/69/608219369.db2.gz BAESQHBHGNRYJC-AWEZNQCLSA-N -1 3 383.883 3.747 20 0 GHADHM C[C@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384355 608219370 /nfs/dbraw/zinc/21/93/70/608219370.db2.gz BAESQHBHGNRYJC-AWEZNQCLSA-N -1 3 383.883 3.747 20 0 GHADHM Brc1ccsc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823832554 608224007 /nfs/dbraw/zinc/22/40/07/608224007.db2.gz RBMGEDAKRFBRDJ-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1ccsc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823832554 608224009 /nfs/dbraw/zinc/22/40/09/608224009.db2.gz RBMGEDAKRFBRDJ-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826180018 608228804 /nfs/dbraw/zinc/22/88/04/608228804.db2.gz PBDKYODAYDYOAM-LLVKDONJSA-N -1 3 394.410 3.744 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826180018 608228806 /nfs/dbraw/zinc/22/88/06/608228806.db2.gz PBDKYODAYDYOAM-LLVKDONJSA-N -1 3 394.410 3.744 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824152329 608231530 /nfs/dbraw/zinc/23/15/30/608231530.db2.gz AKHZCYJGMZWPGP-QGZVFWFLSA-N -1 3 388.479 3.856 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824152329 608231532 /nfs/dbraw/zinc/23/15/32/608231532.db2.gz AKHZCYJGMZWPGP-QGZVFWFLSA-N -1 3 388.479 3.856 20 0 GHADHM c1csc(CN(C[C@H]2CCCO2)c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826525961 608233721 /nfs/dbraw/zinc/23/37/21/608233721.db2.gz GGPBIMJXGLSBGY-MRXNPFEDSA-N -1 3 392.488 3.662 20 0 GHADHM c1csc(CN(C[C@H]2CCCO2)c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826525961 608233723 /nfs/dbraw/zinc/23/37/23/608233723.db2.gz GGPBIMJXGLSBGY-MRXNPFEDSA-N -1 3 392.488 3.662 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825191340 608245696 /nfs/dbraw/zinc/24/56/96/608245696.db2.gz ACJVVCFDIOSEKI-YJBOKZPZSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825191340 608245698 /nfs/dbraw/zinc/24/56/98/608245698.db2.gz ACJVVCFDIOSEKI-YJBOKZPZSA-N -1 3 391.475 3.849 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824928111 608268271 /nfs/dbraw/zinc/26/82/71/608268271.db2.gz RDPWSOOBPIQLOU-FXAWDEMLSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824928111 608268273 /nfs/dbraw/zinc/26/82/73/608268273.db2.gz RDPWSOOBPIQLOU-FXAWDEMLSA-N -1 3 399.539 3.981 20 0 GHADHM CCc1cccnc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000825728785 608269933 /nfs/dbraw/zinc/26/99/33/608269933.db2.gz ZVVCWEDBGDYWKZ-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1cccnc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000825728785 608269934 /nfs/dbraw/zinc/26/99/34/608269934.db2.gz ZVVCWEDBGDYWKZ-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824148396 608270474 /nfs/dbraw/zinc/27/04/74/608270474.db2.gz SWKWJGRPDBWHNL-FNORWQNLSA-N -1 3 375.436 3.556 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000824148396 608270475 /nfs/dbraw/zinc/27/04/75/608270475.db2.gz SWKWJGRPDBWHNL-FNORWQNLSA-N -1 3 375.436 3.556 20 0 GHADHM CC(C)OCc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824315667 608271684 /nfs/dbraw/zinc/27/16/84/608271684.db2.gz STXLNCZTOCUYII-UHFFFAOYSA-N -1 3 378.480 3.678 20 0 GHADHM CC(C)OCc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824315667 608271686 /nfs/dbraw/zinc/27/16/86/608271686.db2.gz STXLNCZTOCUYII-UHFFFAOYSA-N -1 3 378.480 3.678 20 0 GHADHM CCN(C(=O)c1cc(C)c(OC)c(C)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380516 608299486 /nfs/dbraw/zinc/29/94/86/608299486.db2.gz PPKLYGGDBRBILU-OAHLLOKOSA-N -1 3 379.464 3.715 20 0 GHADHM CCN(C(=O)c1cc(C)c(OC)c(C)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380516 608299489 /nfs/dbraw/zinc/29/94/89/608299489.db2.gz PPKLYGGDBRBILU-OAHLLOKOSA-N -1 3 379.464 3.715 20 0 GHADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826376072 608306891 /nfs/dbraw/zinc/30/68/91/608306891.db2.gz NKUODZWDHSTRFX-ZDUSSCGKSA-N -1 3 378.333 3.909 20 0 GHADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826376072 608306893 /nfs/dbraw/zinc/30/68/93/608306893.db2.gz NKUODZWDHSTRFX-ZDUSSCGKSA-N -1 3 378.333 3.909 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CS[C@H](C)c1nc(-c2ccccc2)no1 ZINC000826173376 608322649 /nfs/dbraw/zinc/32/26/49/608322649.db2.gz AUPOAJOJKRFNEK-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CS[C@H](C)c1nc(-c2ccccc2)no1 ZINC000826173376 608322651 /nfs/dbraw/zinc/32/26/51/608322651.db2.gz AUPOAJOJKRFNEK-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825120485 608351483 /nfs/dbraw/zinc/35/14/83/608351483.db2.gz KNWQMDTXJZVYSK-CQSZACIVSA-N -1 3 381.505 3.747 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825120485 608351485 /nfs/dbraw/zinc/35/14/85/608351485.db2.gz KNWQMDTXJZVYSK-CQSZACIVSA-N -1 3 381.505 3.747 20 0 GHADHM CCc1ccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1CC ZINC000825717412 608388200 /nfs/dbraw/zinc/38/82/00/608388200.db2.gz JZDOPNLCLKHNNQ-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM CCc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1CC ZINC000825717412 608388202 /nfs/dbraw/zinc/38/82/02/608388202.db2.gz JZDOPNLCLKHNNQ-UHFFFAOYSA-N -1 3 375.436 3.654 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)n1[C@H]1CCC[C@H](C)C1 ZINC000826337520 608400097 /nfs/dbraw/zinc/40/00/97/608400097.db2.gz RKGWWELYAABVCV-FZMZJTMJSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)n1[C@H]1CCC[C@H](C)C1 ZINC000826337520 608400098 /nfs/dbraw/zinc/40/00/98/608400098.db2.gz RKGWWELYAABVCV-FZMZJTMJSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826323275 608446282 /nfs/dbraw/zinc/44/62/82/608446282.db2.gz XXJMGQRAIGHFER-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826323275 608446284 /nfs/dbraw/zinc/44/62/84/608446284.db2.gz XXJMGQRAIGHFER-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826305430 608464790 /nfs/dbraw/zinc/46/47/90/608464790.db2.gz WLFMCEOARZUREJ-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826305430 608464792 /nfs/dbraw/zinc/46/47/92/608464792.db2.gz WLFMCEOARZUREJ-UONOGXRCSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826305181 608467532 /nfs/dbraw/zinc/46/75/32/608467532.db2.gz NMESSSVBJJXQFJ-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1ccccc1-c1noc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826305181 608467533 /nfs/dbraw/zinc/46/75/33/608467533.db2.gz NMESSSVBJJXQFJ-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM O=C(c1cc2c(s1)CCCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470618 608479506 /nfs/dbraw/zinc/47/95/06/608479506.db2.gz WWKMSUODGOYCQN-UHFFFAOYSA-N -1 3 391.500 3.737 20 0 GHADHM O=C(c1cc2c(s1)CCCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470618 608479507 /nfs/dbraw/zinc/47/95/07/608479507.db2.gz WWKMSUODGOYCQN-UHFFFAOYSA-N -1 3 391.500 3.737 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000823942849 608480757 /nfs/dbraw/zinc/48/07/57/608480757.db2.gz KHRWRPZKZRRLNL-PFONDFGASA-N -1 3 389.434 3.725 20 0 GHADHM CC(=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000823942849 608480759 /nfs/dbraw/zinc/48/07/59/608480759.db2.gz KHRWRPZKZRRLNL-PFONDFGASA-N -1 3 389.434 3.725 20 0 GHADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1c(F)cccc1F ZINC000824039288 608486307 /nfs/dbraw/zinc/48/63/07/608486307.db2.gz DCCIATVYLWXLGM-CYBMUJFWSA-N -1 3 395.413 3.564 20 0 GHADHM C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1c(F)cccc1F ZINC000824039288 608486309 /nfs/dbraw/zinc/48/63/09/608486309.db2.gz DCCIATVYLWXLGM-CYBMUJFWSA-N -1 3 395.413 3.564 20 0 GHADHM O=C(c1ccc(-n2cccc2)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826472640 608487245 /nfs/dbraw/zinc/48/72/45/608487245.db2.gz RFPOTYCGYFJTBT-UHFFFAOYSA-N -1 3 396.454 3.587 20 0 GHADHM O=C(c1ccc(-n2cccc2)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472640 608487246 /nfs/dbraw/zinc/48/72/46/608487246.db2.gz RFPOTYCGYFJTBT-UHFFFAOYSA-N -1 3 396.454 3.587 20 0 GHADHM CS[C@H](C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000826224821 608488375 /nfs/dbraw/zinc/48/83/75/608488375.db2.gz MLRZOWHCGGWWBQ-IBGZPJMESA-N -1 3 391.500 3.587 20 0 GHADHM CS[C@H](C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000826224821 608488377 /nfs/dbraw/zinc/48/83/77/608488377.db2.gz MLRZOWHCGGWWBQ-IBGZPJMESA-N -1 3 391.500 3.587 20 0 GHADHM Cc1ccccc1[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000826306259 608520255 /nfs/dbraw/zinc/52/02/55/608520255.db2.gz USXVBXLZXATYFU-LJQANCHMSA-N -1 3 389.463 3.712 20 0 GHADHM CC(C)[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000824200401 608533337 /nfs/dbraw/zinc/53/33/37/608533337.db2.gz QKDAQHAEIFXEDU-HNNXBMFYSA-N -1 3 390.900 3.507 20 0 GHADHM Cc1oc(-c2cccs2)nc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826340928 608534248 /nfs/dbraw/zinc/53/42/48/608534248.db2.gz PIMIFACRJCGHGM-UHFFFAOYSA-N -1 3 378.461 3.671 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826455735 608543296 /nfs/dbraw/zinc/54/32/96/608543296.db2.gz BPDVKMRKGQFXRS-AWEZNQCLSA-N -1 3 394.332 3.821 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826455735 608543297 /nfs/dbraw/zinc/54/32/97/608543297.db2.gz BPDVKMRKGQFXRS-AWEZNQCLSA-N -1 3 394.332 3.821 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000826280888 608545173 /nfs/dbraw/zinc/54/51/73/608545173.db2.gz USOPNMSEJDNHRA-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(C)c(Cl)c1Cl ZINC000826254232 608546373 /nfs/dbraw/zinc/54/63/73/608546373.db2.gz AJLHUHRHUNUCBU-UHFFFAOYSA-N -1 3 378.219 3.542 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(C)c(Cl)c1Cl ZINC000826254232 608546376 /nfs/dbraw/zinc/54/63/76/608546376.db2.gz AJLHUHRHUNUCBU-UHFFFAOYSA-N -1 3 378.219 3.542 20 0 GHADHM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457491 608574531 /nfs/dbraw/zinc/57/45/31/608574531.db2.gz DJHIWVCYSRZDAF-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457491 608574532 /nfs/dbraw/zinc/57/45/32/608574532.db2.gz DJHIWVCYSRZDAF-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)c1 ZINC000826263470 608669374 /nfs/dbraw/zinc/66/93/74/608669374.db2.gz CJVFIELPLDYFCI-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1cc(C)cc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)c1 ZINC000826263470 608669376 /nfs/dbraw/zinc/66/93/76/608669376.db2.gz CJVFIELPLDYFCI-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM COc1ccc(F)cc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826209175 608672454 /nfs/dbraw/zinc/67/24/54/608672454.db2.gz PSNJAUDCMZXKRE-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM COc1ccc(F)cc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826209175 608672457 /nfs/dbraw/zinc/67/24/57/608672457.db2.gz PSNJAUDCMZXKRE-UHFFFAOYSA-N -1 3 389.390 3.934 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1Cl ZINC000826351439 608675397 /nfs/dbraw/zinc/67/53/97/608675397.db2.gz MSSNTVRRKKIFLP-AWEZNQCLSA-N -1 3 396.303 3.809 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824812686 608696841 /nfs/dbraw/zinc/69/68/41/608696841.db2.gz OFUBZTZRBBCJLY-HNNXBMFYSA-N -1 3 389.912 3.934 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824812686 608696845 /nfs/dbraw/zinc/69/68/45/608696845.db2.gz OFUBZTZRBBCJLY-HNNXBMFYSA-N -1 3 389.912 3.934 20 0 GHADHM FC(F)[C@@H](Cc1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826369554 608757835 /nfs/dbraw/zinc/75/78/35/608757835.db2.gz HSWUUFUTDAPDIR-QGZVFWFLSA-N -1 3 389.475 3.566 20 0 GHADHM FC(F)[C@@H](Cc1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826369554 608757839 /nfs/dbraw/zinc/75/78/39/608757839.db2.gz HSWUUFUTDAPDIR-QGZVFWFLSA-N -1 3 389.475 3.566 20 0 GHADHM c1cncc(Oc2cccc(OCCOc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826526193 608800246 /nfs/dbraw/zinc/80/02/46/608800246.db2.gz OONUWHOQZPXTAV-UHFFFAOYSA-N -1 3 375.388 3.512 20 0 GHADHM CCC1(C)CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1 ZINC000825165024 608859208 /nfs/dbraw/zinc/85/92/08/608859208.db2.gz QDDPVHHXODAAMO-UHFFFAOYSA-N -1 3 384.528 3.599 20 0 GHADHM CCC1(C)CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1 ZINC000825165024 608859212 /nfs/dbraw/zinc/85/92/12/608859212.db2.gz QDDPVHHXODAAMO-UHFFFAOYSA-N -1 3 384.528 3.599 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826352673 608868725 /nfs/dbraw/zinc/86/87/25/608868725.db2.gz JWLGEXGISKQWEP-KRWDZBQOSA-N -1 3 385.855 3.690 20 0 GHADHM Cc1cnc([C@H](C)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000826317806 608883085 /nfs/dbraw/zinc/88/30/85/608883085.db2.gz NQXWRVVUZLEPCP-AWEZNQCLSA-N -1 3 376.420 3.915 20 0 GHADHM Cc1cnc([C@H](C)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000826317806 608883087 /nfs/dbraw/zinc/88/30/87/608883087.db2.gz NQXWRVVUZLEPCP-AWEZNQCLSA-N -1 3 376.420 3.915 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826454016 609160839 /nfs/dbraw/zinc/16/08/39/609160839.db2.gz HCOBPQOHYFITDU-DZZUKKPASA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826454016 609160841 /nfs/dbraw/zinc/16/08/41/609160841.db2.gz HCOBPQOHYFITDU-DZZUKKPASA-N -1 3 378.411 3.716 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825076261 609162843 /nfs/dbraw/zinc/16/28/43/609162843.db2.gz UXIHUYHUTAPCQT-HNNXBMFYSA-N -1 3 394.479 3.742 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825076261 609162844 /nfs/dbraw/zinc/16/28/44/609162844.db2.gz UXIHUYHUTAPCQT-HNNXBMFYSA-N -1 3 394.479 3.742 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC000826233404 609167523 /nfs/dbraw/zinc/16/75/23/609167523.db2.gz GCQLNEBJSYAFLB-CYBMUJFWSA-N -1 3 376.420 3.609 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC000826233404 609167526 /nfs/dbraw/zinc/16/75/26/609167526.db2.gz GCQLNEBJSYAFLB-CYBMUJFWSA-N -1 3 376.420 3.609 20 0 GHADHM CC(C)C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245176 609171186 /nfs/dbraw/zinc/17/11/86/609171186.db2.gz WMHMEGUWSJDCBC-QWHCGFSZSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)C[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824245176 609171187 /nfs/dbraw/zinc/17/11/87/609171187.db2.gz WMHMEGUWSJDCBC-QWHCGFSZSA-N -1 3 388.422 3.699 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992670 609180068 /nfs/dbraw/zinc/18/00/68/609180068.db2.gz NMTUMGLFEWDPGW-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992670 609180069 /nfs/dbraw/zinc/18/00/69/609180069.db2.gz NMTUMGLFEWDPGW-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC[C@H]2CCCO2)c1 ZINC000826291688 609182326 /nfs/dbraw/zinc/18/23/26/609182326.db2.gz RCYMVPBCAMYYNJ-CRAIPNDOSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@H]2CCCO2)c1 ZINC000826291688 609182327 /nfs/dbraw/zinc/18/23/27/609182327.db2.gz RCYMVPBCAMYYNJ-CRAIPNDOSA-N -1 3 379.464 3.906 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826456000 609233005 /nfs/dbraw/zinc/23/30/05/609233005.db2.gz MMORQPWFZNEOIR-UHFFFAOYSA-N -1 3 382.427 3.951 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000826456000 609233007 /nfs/dbraw/zinc/23/30/07/609233007.db2.gz MMORQPWFZNEOIR-UHFFFAOYSA-N -1 3 382.427 3.951 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cccc(O)c1 ZINC000826455428 609242033 /nfs/dbraw/zinc/24/20/33/609242033.db2.gz NTJZFQTWBXMIEL-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cccc(O)c1 ZINC000826455428 609242034 /nfs/dbraw/zinc/24/20/34/609242034.db2.gz NTJZFQTWBXMIEL-UHFFFAOYSA-N -1 3 391.362 3.756 20 0 GHADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1Nc1ccccc1 ZINC000826418310 609260701 /nfs/dbraw/zinc/26/07/01/609260701.db2.gz ABJUDZMKWNLLMG-UHFFFAOYSA-N -1 3 386.415 3.628 20 0 GHADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1Nc1ccccc1 ZINC000826418310 609260702 /nfs/dbraw/zinc/26/07/02/609260702.db2.gz ABJUDZMKWNLLMG-UHFFFAOYSA-N -1 3 386.415 3.628 20 0 GHADHM C[C@@H](Nc1cccc(I)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662981 609271899 /nfs/dbraw/zinc/27/18/99/609271899.db2.gz UDVYSXNAYYFTCC-SNVBAGLBSA-N -1 3 391.216 3.644 20 0 GHADHM C[C@@H](Nc1cccc(I)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662981 609271901 /nfs/dbraw/zinc/27/19/01/609271901.db2.gz UDVYSXNAYYFTCC-SNVBAGLBSA-N -1 3 391.216 3.644 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824315052 609275643 /nfs/dbraw/zinc/27/56/43/609275643.db2.gz JQLXDWVXFORLPI-INIZCTEOSA-N -1 3 381.480 3.981 20 0 GHADHM CC(C)OCCOCc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824315052 609275644 /nfs/dbraw/zinc/27/56/44/609275644.db2.gz JQLXDWVXFORLPI-INIZCTEOSA-N -1 3 381.480 3.981 20 0 GHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1N1CCSCC1 ZINC000826270837 609277331 /nfs/dbraw/zinc/27/73/31/609277331.db2.gz QTLXOBVQWGSQIB-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1N1CCSCC1 ZINC000826270837 609277332 /nfs/dbraw/zinc/27/73/32/609277332.db2.gz QTLXOBVQWGSQIB-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM CCN(C(=O)c1cc(OC)c(C(C)C)c(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380584 609281947 /nfs/dbraw/zinc/28/19/47/609281947.db2.gz SAYGEGAALNABDG-UHFFFAOYSA-N -1 3 395.463 3.674 20 0 GHADHM CCN(C(=O)c1cc(OC)c(C(C)C)c(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380584 609281949 /nfs/dbraw/zinc/28/19/49/609281949.db2.gz SAYGEGAALNABDG-UHFFFAOYSA-N -1 3 395.463 3.674 20 0 GHADHM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cnn1C1CCCCC1 ZINC000826254280 609284550 /nfs/dbraw/zinc/28/45/50/609284550.db2.gz CULYBUAHJMUCIJ-UHFFFAOYSA-N -1 3 380.452 3.542 20 0 GHADHM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cnn1C1CCCCC1 ZINC000826254280 609284552 /nfs/dbraw/zinc/28/45/52/609284552.db2.gz CULYBUAHJMUCIJ-UHFFFAOYSA-N -1 3 380.452 3.542 20 0 GHADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825966052 609286518 /nfs/dbraw/zinc/28/65/18/609286518.db2.gz LSFSGTDHRFGLLE-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825966052 609286519 /nfs/dbraw/zinc/28/65/19/609286519.db2.gz LSFSGTDHRFGLLE-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM Nc1c(Cl)cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826395925 609287088 /nfs/dbraw/zinc/28/70/88/609287088.db2.gz YRPPDTSGZXEKMT-UHFFFAOYSA-N -1 3 383.626 3.661 20 0 GHADHM Nc1c(Cl)cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826395925 609287090 /nfs/dbraw/zinc/28/70/90/609287090.db2.gz YRPPDTSGZXEKMT-UHFFFAOYSA-N -1 3 383.626 3.661 20 0 GHADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc2ccccc2c1 ZINC000826458403 609293521 /nfs/dbraw/zinc/29/35/21/609293521.db2.gz OEWXURCSBFHRSR-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM Cc1nnc(SCc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2nnn[n-]2)c1C ZINC000826337714 609306486 /nfs/dbraw/zinc/30/64/86/609306486.db2.gz YQVVVHXORZKKHC-UHFFFAOYSA-N -1 3 398.492 3.521 20 0 GHADHM Cc1nnc(SCc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2nn[n-]n2)c1C ZINC000826337714 609306488 /nfs/dbraw/zinc/30/64/88/609306488.db2.gz YQVVVHXORZKKHC-UHFFFAOYSA-N -1 3 398.492 3.521 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825439963 609316480 /nfs/dbraw/zinc/31/64/80/609316480.db2.gz VVNZCXUAHOGGMG-UHFFFAOYSA-N -1 3 389.415 3.914 20 0 GHADHM CCN(Cc1ccoc1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825439963 609316482 /nfs/dbraw/zinc/31/64/82/609316482.db2.gz VVNZCXUAHOGGMG-UHFFFAOYSA-N -1 3 389.415 3.914 20 0 GHADHM COc1cc(-c2ccccc2)ccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000826166971 609319729 /nfs/dbraw/zinc/31/97/29/609319729.db2.gz JQJOXLGPLQFXCS-UHFFFAOYSA-N -1 3 389.434 3.971 20 0 GHADHM COc1cc(-c2ccccc2)ccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000826166971 609319731 /nfs/dbraw/zinc/31/97/31/609319731.db2.gz JQJOXLGPLQFXCS-UHFFFAOYSA-N -1 3 389.434 3.971 20 0 GHADHM COc1cccc2[nH]cc(CCNc3ccc4cc(-c5nnn[n-]5)ccc4n3)c21 ZINC000826217362 609324871 /nfs/dbraw/zinc/32/48/71/609324871.db2.gz JITVPGHTZSTMDL-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM COc1cccc2[nH]cc(CCNc3ccc4cc(-c5nn[n-]n5)ccc4n3)c21 ZINC000826217362 609324873 /nfs/dbraw/zinc/32/48/73/609324873.db2.gz JITVPGHTZSTMDL-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824906715 609324981 /nfs/dbraw/zinc/32/49/81/609324981.db2.gz DGMHNMKVBDCJAK-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824906715 609324983 /nfs/dbraw/zinc/32/49/83/609324983.db2.gz DGMHNMKVBDCJAK-HUUCEWRRSA-N -1 3 377.448 3.920 20 0 GHADHM COCCCOc1cc(C)ccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826157510 609340676 /nfs/dbraw/zinc/34/06/76/609340676.db2.gz YMOROXPOGMIQIX-OAHLLOKOSA-N -1 3 399.470 3.580 20 0 GHADHM CCOc1cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825615995 609342894 /nfs/dbraw/zinc/34/28/94/609342894.db2.gz SCBTVXSBCYSNGU-UHFFFAOYSA-N -1 3 389.463 3.586 20 0 GHADHM CCOc1cc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825615995 609342896 /nfs/dbraw/zinc/34/28/96/609342896.db2.gz SCBTVXSBCYSNGU-UHFFFAOYSA-N -1 3 389.463 3.586 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826210991 609349859 /nfs/dbraw/zinc/34/98/59/609349859.db2.gz LTGFKXPKMMJGPD-VIFPVBQESA-N -1 3 379.342 3.789 20 0 GHADHM COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210991 609349860 /nfs/dbraw/zinc/34/98/60/609349860.db2.gz LTGFKXPKMMJGPD-VIFPVBQESA-N -1 3 379.342 3.789 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826408516 609350516 /nfs/dbraw/zinc/35/05/16/609350516.db2.gz JOTRPXQFNGFLJY-FQEVSTJZSA-N -1 3 391.450 3.691 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826408516 609350518 /nfs/dbraw/zinc/35/05/18/609350518.db2.gz JOTRPXQFNGFLJY-FQEVSTJZSA-N -1 3 391.450 3.691 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@@H]1F ZINC000824948309 609380203 /nfs/dbraw/zinc/38/02/03/609380203.db2.gz TUXOKPSKHRNXEL-UGSOOPFHSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1F ZINC000824948309 609380206 /nfs/dbraw/zinc/38/02/06/609380206.db2.gz TUXOKPSKHRNXEL-UGSOOPFHSA-N -1 3 396.426 3.871 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826454475 609382045 /nfs/dbraw/zinc/38/20/45/609382045.db2.gz YDMKWSUZXLESGO-CYBMUJFWSA-N -1 3 398.417 3.947 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826454475 609382047 /nfs/dbraw/zinc/38/20/47/609382047.db2.gz YDMKWSUZXLESGO-CYBMUJFWSA-N -1 3 398.417 3.947 20 0 GHADHM FC(F)Oc1c(Br)cccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000826369674 609383445 /nfs/dbraw/zinc/38/34/45/609383445.db2.gz MFLTWHDLYZOHMN-UHFFFAOYSA-N -1 3 397.179 3.810 20 0 GHADHM Cc1ncsc1COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826331726 609386544 /nfs/dbraw/zinc/38/65/44/609386544.db2.gz VULGCTLWZQQESA-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ncsc1COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826331726 609386548 /nfs/dbraw/zinc/38/65/48/609386548.db2.gz VULGCTLWZQQESA-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000824883245 609388223 /nfs/dbraw/zinc/38/82/23/609388223.db2.gz FVTQXADMJWWDJG-LSDHHAIUSA-N -1 3 378.432 3.506 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000824883245 609388225 /nfs/dbraw/zinc/38/82/25/609388225.db2.gz FVTQXADMJWWDJG-LSDHHAIUSA-N -1 3 378.432 3.506 20 0 GHADHM Cc1ccc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000826288719 609388957 /nfs/dbraw/zinc/38/89/57/609388957.db2.gz TXIZPAXBADTMRW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000826288719 609388959 /nfs/dbraw/zinc/38/89/59/609388959.db2.gz TXIZPAXBADTMRW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826441194 609438393 /nfs/dbraw/zinc/43/83/93/609438393.db2.gz SKSVDKMAWPTKTR-IBGZPJMESA-N -1 3 376.464 3.597 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000826441194 609438396 /nfs/dbraw/zinc/43/83/96/609438396.db2.gz SKSVDKMAWPTKTR-IBGZPJMESA-N -1 3 376.464 3.597 20 0 GHADHM Fc1cccc(F)c1-n1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826377034 609440329 /nfs/dbraw/zinc/44/03/29/609440329.db2.gz BFEZOMLCCKGOCS-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000826286514 609444125 /nfs/dbraw/zinc/44/41/25/609444125.db2.gz FLEIDKMFZAYDOP-HNNXBMFYSA-N -1 3 379.464 3.780 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000826286514 609444127 /nfs/dbraw/zinc/44/41/27/609444127.db2.gz FLEIDKMFZAYDOP-HNNXBMFYSA-N -1 3 379.464 3.780 20 0 GHADHM Cc1noc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826337774 609451303 /nfs/dbraw/zinc/45/13/03/609451303.db2.gz ATZYTECCZZJBBN-CHWSQXEVSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1noc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826337774 609451306 /nfs/dbraw/zinc/45/13/06/609451306.db2.gz ATZYTECCZZJBBN-CHWSQXEVSA-N -1 3 375.436 3.637 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSCc2ccccc2-c2nnn[n-]2)c1Cl ZINC000826366249 609453864 /nfs/dbraw/zinc/45/38/64/609453864.db2.gz ZDIWKPDDNTZFJQ-UHFFFAOYSA-N -1 3 388.806 3.706 20 0 GHADHM Cn1nc(C(F)(F)F)c(CSCc2ccccc2-c2nn[n-]n2)c1Cl ZINC000826366249 609453866 /nfs/dbraw/zinc/45/38/66/609453866.db2.gz ZDIWKPDDNTZFJQ-UHFFFAOYSA-N -1 3 388.806 3.706 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3cccc(-c4nnn[n-]4)c3F)cc2)nn1 ZINC000826292613 609479141 /nfs/dbraw/zinc/47/91/41/609479141.db2.gz CYNGWIHPQVBHMJ-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3cccc(-c4nn[n-]n4)c3F)cc2)nn1 ZINC000826292613 609479142 /nfs/dbraw/zinc/47/91/42/609479142.db2.gz CYNGWIHPQVBHMJ-UHFFFAOYSA-N -1 3 377.383 3.509 20 0 GHADHM Fc1cc(NCc2cccc(-c3nnn[n-]3)c2F)cc(F)c1Br ZINC000826372865 609481854 /nfs/dbraw/zinc/48/18/54/609481854.db2.gz OPSGJBQUFZZQHE-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(NCc2cccc(-c3nn[n-]n3)c2F)cc(F)c1Br ZINC000826372865 609481858 /nfs/dbraw/zinc/48/18/58/609481858.db2.gz OPSGJBQUFZZQHE-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C12CCC(CC1)C2 ZINC000826455432 609491889 /nfs/dbraw/zinc/49/18/89/609491889.db2.gz NVKBZSUNIZLIIF-UHFFFAOYSA-N -1 3 376.420 3.573 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)no1 ZINC000824358317 609493976 /nfs/dbraw/zinc/49/39/76/609493976.db2.gz GWNXPKCZEWJRFR-ZDUSSCGKSA-N -1 3 388.863 3.543 20 0 GHADHM CC(C)c1nc([C@@H]2CCCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)no1 ZINC000824358317 609493978 /nfs/dbraw/zinc/49/39/78/609493978.db2.gz GWNXPKCZEWJRFR-ZDUSSCGKSA-N -1 3 388.863 3.543 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCc1ccccc1Cl ZINC000826334776 609503207 /nfs/dbraw/zinc/50/32/07/609503207.db2.gz IZFLQCITDTWCQS-UHFFFAOYSA-N -1 3 379.855 3.720 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCc1ccccc1Cl ZINC000826334776 609503209 /nfs/dbraw/zinc/50/32/09/609503209.db2.gz IZFLQCITDTWCQS-UHFFFAOYSA-N -1 3 379.855 3.720 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825180663 609504426 /nfs/dbraw/zinc/50/44/26/609504426.db2.gz ABZSHNRGTZBAHL-QZTJIDSGSA-N -1 3 378.432 3.644 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825180663 609504428 /nfs/dbraw/zinc/50/44/28/609504428.db2.gz ABZSHNRGTZBAHL-QZTJIDSGSA-N -1 3 378.432 3.644 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@@H](C)[C@@H](C)CC ZINC000825604680 609510069 /nfs/dbraw/zinc/51/00/69/609510069.db2.gz JOVWTSZUHDCSMY-UWVGGRQHSA-N -1 3 397.273 3.616 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@@H](C)[C@@H](C)CC ZINC000825604680 609510071 /nfs/dbraw/zinc/51/00/71/609510071.db2.gz JOVWTSZUHDCSMY-UWVGGRQHSA-N -1 3 397.273 3.616 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000826284025 609523010 /nfs/dbraw/zinc/52/30/10/609523010.db2.gz IADVFTDQCCRPMW-UHFFFAOYSA-N -1 3 385.418 3.704 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000826284025 609523012 /nfs/dbraw/zinc/52/30/12/609523012.db2.gz IADVFTDQCCRPMW-UHFFFAOYSA-N -1 3 385.418 3.704 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825183393 609552842 /nfs/dbraw/zinc/55/28/42/609552842.db2.gz OLEWEAOVSWNQRD-RDJZCZTQSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825183393 609552844 /nfs/dbraw/zinc/55/28/44/609552844.db2.gz OLEWEAOVSWNQRD-RDJZCZTQSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826237689 609553216 /nfs/dbraw/zinc/55/32/16/609553216.db2.gz IOACHNZTSFOABF-CQSZACIVSA-N -1 3 376.798 3.843 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826237689 609553218 /nfs/dbraw/zinc/55/32/18/609553218.db2.gz IOACHNZTSFOABF-CQSZACIVSA-N -1 3 376.798 3.843 20 0 GHADHM COc1ccc2c(CC(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)coc2c1 ZINC000826212464 609615591 /nfs/dbraw/zinc/61/55/91/609615591.db2.gz RIXAMBUHZPEYCB-UHFFFAOYSA-N -1 3 398.806 3.561 20 0 GHADHM COc1ccc2c(CC(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)coc2c1 ZINC000826212464 609615593 /nfs/dbraw/zinc/61/55/93/609615593.db2.gz RIXAMBUHZPEYCB-UHFFFAOYSA-N -1 3 398.806 3.561 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cnc(Cl)c(Cl)c1 ZINC000826465353 609616839 /nfs/dbraw/zinc/61/68/39/609616839.db2.gz JLSMYBYZADZMPK-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cnc(Cl)c(Cl)c1 ZINC000826465353 609616840 /nfs/dbraw/zinc/61/68/40/609616840.db2.gz JLSMYBYZADZMPK-UHFFFAOYSA-N -1 3 384.610 3.579 20 0 GHADHM Cc1ccc2c(CC(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)c[nH]c2c1 ZINC000826293301 609616969 /nfs/dbraw/zinc/61/69/69/609616969.db2.gz KJOCVZRRYZGZTH-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM Cc1ccc2c(CC(=O)OCc3ccc(Cl)cc3-c3nn[n-]n3)c[nH]c2c1 ZINC000826293301 609616970 /nfs/dbraw/zinc/61/69/70/609616970.db2.gz KJOCVZRRYZGZTH-UHFFFAOYSA-N -1 3 381.823 3.596 20 0 GHADHM COc1ccccc1-c1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000255066230 837492604 /nfs/dbraw/zinc/49/26/04/837492604.db2.gz HTKDGJOPOSHTAG-GDNBJRDFSA-N -1 3 377.425 3.542 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3NC(=O)NC(C)C)c[n-]c12 ZINC000433321521 844011589 /nfs/dbraw/zinc/01/15/89/844011589.db2.gz XZHHYDCAJUFXHZ-UHFFFAOYSA-N -1 3 396.422 3.758 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000683578344 837761876 /nfs/dbraw/zinc/76/18/76/837761876.db2.gz DCHLMUSZCXLMTI-UHFFFAOYSA-N -1 3 376.859 3.841 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(Br)cc1 ZINC000430140437 834369947 /nfs/dbraw/zinc/36/99/47/834369947.db2.gz UCUOLUFUZXCQGO-UHFFFAOYSA-N -1 3 395.054 3.534 20 0 GHADHM CC[C@H](CNc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000458544163 834435150 /nfs/dbraw/zinc/43/51/50/834435150.db2.gz DMMNMUVPEMVZFT-CQSZACIVSA-N -1 3 392.297 3.845 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(F)c1 ZINC000414401795 837775370 /nfs/dbraw/zinc/77/53/70/837775370.db2.gz WWEKJBFIXGCWCV-UHFFFAOYSA-N -1 3 382.404 3.768 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cccc(-c2c(F)cccc2F)c1 ZINC000579739522 834502186 /nfs/dbraw/zinc/50/21/86/834502186.db2.gz FGWLKRQPDYAHME-UHFFFAOYSA-N -1 3 391.381 3.988 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(-c2c(F)cccc2F)c1 ZINC000579739522 834502194 /nfs/dbraw/zinc/50/21/94/834502194.db2.gz FGWLKRQPDYAHME-UHFFFAOYSA-N -1 3 391.381 3.988 20 0 GHADHM COc1cc(NC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc(OC)c1 ZINC000278761713 834534110 /nfs/dbraw/zinc/53/41/10/834534110.db2.gz GBJFZCRACSXTAC-UHFFFAOYSA-N -1 3 390.867 3.780 20 0 GHADHM Cc1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)sc1Cc1ccccc1F ZINC000583581402 834690014 /nfs/dbraw/zinc/69/00/14/834690014.db2.gz LXVSSAOIDNEXAJ-UHFFFAOYSA-N -1 3 384.436 3.807 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Cl ZINC000107032540 834732063 /nfs/dbraw/zinc/73/20/63/834732063.db2.gz MWDMXJHYGYKSKI-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)s1 ZINC000511257972 834867164 /nfs/dbraw/zinc/86/71/64/834867164.db2.gz DAOKMXXIWNNBBX-AWEZNQCLSA-N -1 3 392.424 3.780 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)s1 ZINC000511257993 834867903 /nfs/dbraw/zinc/86/79/03/834867903.db2.gz DAOKMXXIWNNBBX-CQSZACIVSA-N -1 3 392.424 3.780 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Oc3cnccn3)cc2)cc1 ZINC000683170911 834905219 /nfs/dbraw/zinc/90/52/19/834905219.db2.gz BVWGLLPZKVSSII-LJQANCHMSA-N -1 3 379.416 3.583 20 0 GHADHM CCCN(C(=O)c1ccc(OC)cc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000157620100 835011406 /nfs/dbraw/zinc/01/14/06/835011406.db2.gz HVSOADKFNYWLNP-UHFFFAOYSA-N -1 3 396.487 3.558 20 0 GHADHM O=S(=O)(Cc1ccc2ccccc2c1)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000685506522 835050689 /nfs/dbraw/zinc/05/06/89/835050689.db2.gz RDYGKDOTOMMNSY-KRWDZBQOSA-N -1 3 375.396 3.671 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c(C)c1C ZINC000500786082 844014615 /nfs/dbraw/zinc/01/46/15/844014615.db2.gz JGVGLIMOTFMWLL-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM C[C@@H](c1nc(Cc2ccccc2)no1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000583812008 835074532 /nfs/dbraw/zinc/07/45/32/835074532.db2.gz LTMZYCYRFUXQBL-IPELMVKDSA-N -1 3 377.444 3.522 20 0 GHADHM O=c1cc(C[S@@](=O)Cc2csc(-c3ccsc3)n2)nc(C2CC2)[n-]1 ZINC000583860788 835160128 /nfs/dbraw/zinc/16/01/28/835160128.db2.gz KRZJSRFHSVPGIB-XMMPIXPASA-N -1 3 377.516 3.694 20 0 GHADHM O=S(=O)([N-][C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)cc1F ZINC000030008181 844027337 /nfs/dbraw/zinc/02/73/37/844027337.db2.gz HUBUBQZZVAZNBQ-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433345801 844030752 /nfs/dbraw/zinc/03/07/52/844030752.db2.gz ZVXKHYQNYGEGCL-UHFFFAOYSA-N -1 3 387.798 3.840 20 0 GHADHM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000433356026 844040406 /nfs/dbraw/zinc/04/04/06/844040406.db2.gz XTPSFCQFGOUYET-UHFFFAOYSA-N -1 3 386.390 3.570 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](c3ccc(F)cc3)N(C)C)c12 ZINC000579843307 835327128 /nfs/dbraw/zinc/32/71/28/835327128.db2.gz AYXKEVHIPRPJJZ-AWEZNQCLSA-N -1 3 388.468 3.860 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1Cl)c1ccc(Cl)nc1 ZINC000690781521 835370565 /nfs/dbraw/zinc/37/05/65/835370565.db2.gz RHGOKNVTOBMHLP-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1Cl ZINC000544847690 835490438 /nfs/dbraw/zinc/49/04/38/835490438.db2.gz UXOUQOFBWPASBW-UHFFFAOYSA-N -1 3 385.869 3.945 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000032965515 835513305 /nfs/dbraw/zinc/51/33/05/835513305.db2.gz TXKJGDNJBUOJEU-UHFFFAOYSA-N -1 3 379.441 3.945 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)c[nH]c21 ZINC000109207998 835538036 /nfs/dbraw/zinc/53/80/36/835538036.db2.gz PJLQSSGBKIIOGA-UHFFFAOYSA-N -1 3 386.455 3.970 20 0 GHADHM COC(=O)CCc1nnc([N-]C(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000134418487 835559400 /nfs/dbraw/zinc/55/94/00/835559400.db2.gz AONIGANCJDRIMT-UHFFFAOYSA-N -1 3 379.825 3.604 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000151612736 835655045 /nfs/dbraw/zinc/65/50/45/835655045.db2.gz GAAPYOQIEIQAHE-RYUDHWBXSA-N -1 3 382.204 3.853 20 0 GHADHM C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151619393 835655933 /nfs/dbraw/zinc/65/59/33/835655933.db2.gz VTWJNPAYOBRATJ-SNVBAGLBSA-N -1 3 384.657 3.892 20 0 GHADHM Cc1csc(N2CCC(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)CC2)n1 ZINC000512530660 844077655 /nfs/dbraw/zinc/07/76/55/844077655.db2.gz NHJLATXQBUFLMT-UHFFFAOYSA-N -1 3 395.532 3.735 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000134454945 835730353 /nfs/dbraw/zinc/73/03/53/835730353.db2.gz WPRSTMHEPVZWEZ-CQSZACIVSA-N -1 3 376.478 3.932 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000584210303 835763911 /nfs/dbraw/zinc/76/39/11/835763911.db2.gz JXWSARFAUJJTJW-SEPYTNNBSA-N -1 3 397.471 3.983 20 0 GHADHM COc1ccc(-n2ccc(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)n2)cc1 ZINC000512535150 844088760 /nfs/dbraw/zinc/08/87/60/844088760.db2.gz CIJGAZVGYDQMMY-UHFFFAOYSA-N -1 3 387.443 3.562 20 0 GHADHM COc1cc(C(=O)Nc2ncccc2[O-])cc(OC)c1OCc1ccccc1 ZINC000045574581 835950371 /nfs/dbraw/zinc/95/03/71/835950371.db2.gz DKDSAPZOSXNYEZ-UHFFFAOYSA-N -1 3 380.400 3.636 20 0 GHADHM CCCN1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1=O ZINC000413658285 836018084 /nfs/dbraw/zinc/01/80/84/836018084.db2.gz QRDJEERMLZLQSV-ZDUSSCGKSA-N -1 3 395.484 3.866 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000180759099 836269320 /nfs/dbraw/zinc/26/93/20/836269320.db2.gz UMMFVYSNZZLSBK-OAHLLOKOSA-N -1 3 393.333 3.749 20 0 GHADHM CCN(CC)C(=O)CCC1CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000613402384 836294605 /nfs/dbraw/zinc/29/46/05/836294605.db2.gz INTIORSMOWGKKD-UHFFFAOYSA-N -1 3 378.538 3.615 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2nc(-c3ccsc3)no2)cc1 ZINC000109479474 836329500 /nfs/dbraw/zinc/32/95/00/836329500.db2.gz FZGOQAKAQICUQX-UHFFFAOYSA-N -1 3 379.463 3.527 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccncc1)c1cccnc1C(F)(F)F ZINC000376291019 836397498 /nfs/dbraw/zinc/39/74/98/836397498.db2.gz SGGCMNFICMEXGU-MRXNPFEDSA-N -1 3 393.390 3.563 20 0 GHADHM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000614349267 844171030 /nfs/dbraw/zinc/17/10/30/844171030.db2.gz QAQBDGIFGDFAJS-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409715051 836532466 /nfs/dbraw/zinc/53/24/66/836532466.db2.gz ZCILOCBHKIRSRR-DNVCBOLYSA-N -1 3 390.252 3.814 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1)c1ccccc1 ZINC000472556941 836594200 /nfs/dbraw/zinc/59/42/00/836594200.db2.gz QBTIHKGMUCKBKN-OAHLLOKOSA-N -1 3 375.428 3.521 20 0 GHADHM CC(C)COC[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccco1 ZINC000893848463 844198926 /nfs/dbraw/zinc/19/89/26/844198926.db2.gz PZRZQIHABBANOU-KRWDZBQOSA-N -1 3 390.386 3.543 20 0 GHADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc2ccccc2c1 ZINC000175535739 836869284 /nfs/dbraw/zinc/86/92/84/836869284.db2.gz QGYLUCMUNXWXDA-QGZVFWFLSA-N -1 3 388.467 3.634 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ncc(Br)s1 ZINC000683404439 836992504 /nfs/dbraw/zinc/99/25/04/836992504.db2.gz QSGKJIWBGSCQDO-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000175775696 836997407 /nfs/dbraw/zinc/99/74/07/836997407.db2.gz JAYYYLXEMAHZHF-UHFFFAOYSA-N -1 3 386.395 3.941 20 0 GHADHM C[C@@H](c1ccccc1)n1cc([N-]S(=O)(=O)CCCOCc2ccccc2)cn1 ZINC000655586750 837222547 /nfs/dbraw/zinc/22/25/47/837222547.db2.gz XMWZIXZMFOTBMN-SFHVURJKSA-N -1 3 399.516 3.841 20 0 GHADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000510270280 837256709 /nfs/dbraw/zinc/25/67/09/837256709.db2.gz FJUYYJFFWOEBKZ-UHFFFAOYSA-N -1 3 390.374 3.724 20 0 GHADHM Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cs2)cc1 ZINC000176310183 837264133 /nfs/dbraw/zinc/26/41/33/837264133.db2.gz QMKISJIOWWTYKI-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)[n-]1 ZINC000431751367 837327476 /nfs/dbraw/zinc/32/74/76/837327476.db2.gz JOGPAFSGOSDHQN-UHFFFAOYSA-N -1 3 378.388 3.698 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1[O-] ZINC000613683256 838274285 /nfs/dbraw/zinc/27/42/85/838274285.db2.gz CQTZROINGXPVCK-ZDUSSCGKSA-N -1 3 389.835 3.916 20 0 GHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000024485491 838361025 /nfs/dbraw/zinc/36/10/25/838361025.db2.gz IMZJDNMJYCIXAR-SNVBAGLBSA-N -1 3 394.301 3.638 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ncccc1C)C(C)C ZINC000178545523 838398305 /nfs/dbraw/zinc/39/83/05/838398305.db2.gz VDVCNFUZAMCWOE-INIZCTEOSA-N -1 3 396.896 3.506 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000295634489 838469257 /nfs/dbraw/zinc/46/92/57/838469257.db2.gz PCEJJEPZZKWTRW-BEFAXECRSA-N -1 3 386.473 3.710 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000295634506 838469298 /nfs/dbraw/zinc/46/92/98/838469298.db2.gz PCEJJEPZZKWTRW-DNVCBOLYSA-N -1 3 386.473 3.710 20 0 GHADHM O=c1cc(-c2noc(C3(c4cccc(OC(F)(F)F)c4)CCC3)n2)nc[n-]1 ZINC000656027728 838504109 /nfs/dbraw/zinc/50/41/09/838504109.db2.gz NUGQTJAQGQJHKI-UHFFFAOYSA-N -1 3 378.310 3.601 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000683764427 838610694 /nfs/dbraw/zinc/61/06/94/838610694.db2.gz GGSLEPFLJCCHAV-ZCFIWIBFSA-N -1 3 388.795 3.994 20 0 GHADHM CCC(CC)C(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000115240615 838660823 /nfs/dbraw/zinc/66/08/23/838660823.db2.gz URTGYBSCPHUDTE-UHFFFAOYSA-N -1 3 390.505 3.548 20 0 GHADHM O=C([O-])c1ccc(OCCN2CC[C@H](c3ccccc3)[C@H](CO)C2)c(Cl)c1 ZINC000659797146 838679901 /nfs/dbraw/zinc/67/99/01/838679901.db2.gz GAWPNZLABIORJK-ZWKOTPCHSA-N -1 3 389.879 3.515 20 0 GHADHM CO[C@H](CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C1CC1 ZINC000647116422 838689350 /nfs/dbraw/zinc/68/93/50/838689350.db2.gz ZESALEPACWGUTC-CQSZACIVSA-N -1 3 376.869 3.692 20 0 GHADHM C[C@H](NCc1c(F)ccc(Br)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656100124 838713339 /nfs/dbraw/zinc/71/33/39/838713339.db2.gz FLHGTLBSLUMOAI-INTQDDNPSA-N -1 3 376.241 3.952 20 0 GHADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580091448 838841949 /nfs/dbraw/zinc/84/19/49/838841949.db2.gz BLGAUIBDSCOFSE-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM CC(C)Oc1ccc(Br)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000188574441 838853797 /nfs/dbraw/zinc/85/37/97/838853797.db2.gz HSKFMXJZWXXUSH-UHFFFAOYSA-N -1 3 375.226 3.760 20 0 GHADHM Cc1nc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)sc1C ZINC000182944427 838868283 /nfs/dbraw/zinc/86/82/83/838868283.db2.gz OQLYAFIBXFETMM-SFHVURJKSA-N -1 3 395.484 3.965 20 0 GHADHM O=C(c1c(F)ccc(SCC2CC2)c1F)N1CCCc2c(=O)[n-]cnc21 ZINC000893204853 838870434 /nfs/dbraw/zinc/87/04/34/838870434.db2.gz OSQJTCCWTZWCTK-UHFFFAOYSA-N -1 3 377.416 3.556 20 0 GHADHM Cc1cc(C(C)(C)C(=O)N2CCCc3c(=O)[n-]cnc32)ccc1Br ZINC000893204825 838870937 /nfs/dbraw/zinc/87/09/37/838870937.db2.gz NEYKEGYKUFHEEB-UHFFFAOYSA-N -1 3 390.281 3.510 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000472968106 838908046 /nfs/dbraw/zinc/90/80/46/838908046.db2.gz YGCAEOQNUQHLQV-QGZVFWFLSA-N -1 3 384.480 3.507 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000066761739 839002529 /nfs/dbraw/zinc/00/25/29/839002529.db2.gz RECFEIIGQPICSC-UHFFFAOYSA-N -1 3 380.404 3.522 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(Cl)ccn1 ZINC000183602936 839024740 /nfs/dbraw/zinc/02/47/40/839024740.db2.gz SEFHSLSBJVSJLO-SFHVURJKSA-N -1 3 395.846 3.941 20 0 GHADHM O=C(NCc1ccc(COc2ccccc2)cc1)N[N-]C(=O)c1ccccc1F ZINC000047095670 839047316 /nfs/dbraw/zinc/04/73/16/839047316.db2.gz CYXCGZHGVFGHNM-UHFFFAOYSA-N -1 3 393.418 3.549 20 0 GHADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000183788485 839078857 /nfs/dbraw/zinc/07/88/57/839078857.db2.gz KDVMCPKZABIQNC-IERDGZPVSA-N -1 3 380.488 3.948 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c(=O)[n-]1 ZINC000580245721 839108579 /nfs/dbraw/zinc/10/85/79/839108579.db2.gz AJAOSMCTTVUQOW-QGZVFWFLSA-N -1 3 392.381 3.633 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1C=CCCC1 ZINC000189191601 839134743 /nfs/dbraw/zinc/13/47/43/839134743.db2.gz GUIUMZYOSZGVNE-LLVKDONJSA-N -1 3 376.400 3.762 20 0 GHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000052433051 844407051 /nfs/dbraw/zinc/40/70/51/844407051.db2.gz BUFLDZBUJHKDDX-ACJLOTCBSA-N -1 3 393.484 3.605 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000576409993 844410571 /nfs/dbraw/zinc/41/05/71/844410571.db2.gz GGJYFWDPIDJULI-NSHDSACASA-N -1 3 394.294 3.861 20 0 GHADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000152691077 839261142 /nfs/dbraw/zinc/26/11/42/839261142.db2.gz YEPUMZSURWECIA-CJNGLKHVSA-N -1 3 389.293 3.989 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000152690996 839261668 /nfs/dbraw/zinc/26/16/68/839261668.db2.gz YEPUMZSURWECIA-CZUORRHYSA-N -1 3 389.293 3.989 20 0 GHADHM CC(C)c1nc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cn1C ZINC000416488719 839302886 /nfs/dbraw/zinc/30/28/86/839302886.db2.gz NQOFKLYGNAFZOW-AWEZNQCLSA-N -1 3 389.443 3.558 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nc1 ZINC000416508133 839337445 /nfs/dbraw/zinc/33/74/45/839337445.db2.gz QUPGUFBKKZJKQU-UHFFFAOYSA-N -1 3 378.803 3.583 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C1CCC1 ZINC000416555027 839409107 /nfs/dbraw/zinc/40/91/07/839409107.db2.gz GXUJKWGDDLQJAJ-CQSZACIVSA-N -1 3 376.881 3.685 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)s1 ZINC000416557995 839423203 /nfs/dbraw/zinc/42/32/03/839423203.db2.gz HQUINBKYOHHOMG-UHFFFAOYSA-N -1 3 388.299 3.921 20 0 GHADHM O=S(=O)(Cc1ccc2ccccc2c1)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000644290181 839540626 /nfs/dbraw/zinc/54/06/26/839540626.db2.gz UAFBMFKBBRKESA-UHFFFAOYSA-N -1 3 393.415 3.659 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCOCC3)cc2)cc1 ZINC000377461852 839557770 /nfs/dbraw/zinc/55/77/70/839557770.db2.gz CGOIYJPMTXUGNL-MRXNPFEDSA-N -1 3 388.489 3.551 20 0 GHADHM COCCCOc1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1 ZINC000473448732 844468916 /nfs/dbraw/zinc/46/89/16/844468916.db2.gz MPFPYZKSLJQIGG-UHFFFAOYSA-N -1 3 389.249 3.768 20 0 GHADHM O=C(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)NC1CCCC1 ZINC000055491926 839802663 /nfs/dbraw/zinc/80/26/63/839802663.db2.gz XDUJCDFEUTZXMP-UHFFFAOYSA-N -1 3 387.892 3.906 20 0 GHADHM Cc1cc2sc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])nc2c(C)c1 ZINC000048029757 840204617 /nfs/dbraw/zinc/20/46/17/840204617.db2.gz PLWHXPUTLDHVIU-OAHLLOKOSA-N -1 3 395.484 3.862 20 0 GHADHM Cc1nc(CCNCc2ccc(Cl)cc2Br)sc1C(=O)[O-] ZINC000276993777 844531812 /nfs/dbraw/zinc/53/18/12/844531812.db2.gz KIAWYPOJMNZMHL-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1)n1cccn1 ZINC000431920398 840454231 /nfs/dbraw/zinc/45/42/31/840454231.db2.gz DLTUOYQDIAVXAZ-LBPRGKRZSA-N -1 3 384.823 3.694 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1 ZINC000511696584 840511238 /nfs/dbraw/zinc/51/12/38/840511238.db2.gz CKMJPYDSORHKRH-CQSZACIVSA-N -1 3 379.478 3.990 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1[O-] ZINC000580968460 840536082 /nfs/dbraw/zinc/53/60/82/840536082.db2.gz UWXXEMILHHYGQY-SNVBAGLBSA-N -1 3 396.212 3.902 20 0 GHADHM CCC(CC)n1ccc(C[S@](=O)Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000417158548 840538512 /nfs/dbraw/zinc/53/85/12/840538512.db2.gz BIHBPGIXJWVEPD-MHZLTWQESA-N -1 3 384.505 3.856 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([O-])c1 ZINC000364052097 840587493 /nfs/dbraw/zinc/58/74/93/840587493.db2.gz NZMXTMBTDKNLIP-CQSZACIVSA-N -1 3 397.406 3.610 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](N2CCCC2=O)CC1 ZINC000581118184 840733570 /nfs/dbraw/zinc/73/35/70/840733570.db2.gz RMFRAYNCVJKVPS-KRWDZBQOSA-N -1 3 394.471 3.802 20 0 GHADHM O=C(Cn1ccc2ccccc21)Nc1cc(I)ccc1[O-] ZINC000610486439 840852088 /nfs/dbraw/zinc/85/20/88/840852088.db2.gz XMMHROIQWFMDJB-UHFFFAOYSA-N -1 3 392.196 3.590 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3nc4ccccc4[nH]3)cc2)cc(=O)[n-]1 ZINC000509906430 844582360 /nfs/dbraw/zinc/58/23/60/844582360.db2.gz YWJYSWZTYXUVIC-GFCCVEGCSA-N -1 3 388.431 3.917 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(I)ccc2[O-])s1 ZINC000610491096 840970480 /nfs/dbraw/zinc/97/04/80/840970480.db2.gz RLKHHDKJTIDSIB-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c(C)c1OC ZINC000417583799 841028728 /nfs/dbraw/zinc/02/87/28/841028728.db2.gz MSKUNMUHYPKYIG-MRXNPFEDSA-N -1 3 394.265 3.690 20 0 GHADHM O=C([O-])C[C@H](CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(F)(F)F ZINC000417626133 841078057 /nfs/dbraw/zinc/07/80/57/841078057.db2.gz MVEWGXTUKALFET-GFCCVEGCSA-N -1 3 395.303 3.634 20 0 GHADHM O=C([O-])CC1(CCNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CCCCC1 ZINC000417656546 841109012 /nfs/dbraw/zinc/10/90/12/841109012.db2.gz WZRUQWTYXGZXFM-UHFFFAOYSA-N -1 3 394.878 3.965 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000651621565 841157239 /nfs/dbraw/zinc/15/72/39/841157239.db2.gz VMXXCYFDZOHAPC-GHMZBOCLSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2csc(COc3ccc(F)cc3)n2)n1 ZINC000660748166 841159161 /nfs/dbraw/zinc/15/91/61/841159161.db2.gz VBAIFOQCDMKWEX-UHFFFAOYSA-N -1 3 388.468 3.690 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000651630980 841178009 /nfs/dbraw/zinc/17/80/09/841178009.db2.gz XVRVBJHHNOSIMO-RYUDHWBXSA-N -1 3 396.372 3.691 20 0 GHADHM CCOC(=O)c1ccc(-c2ccc(CNC(C)(C)c3nc(C)cc(=O)[n-]3)o2)cc1 ZINC000600181121 861198420 /nfs/dbraw/zinc/19/84/20/861198420.db2.gz KXWNGUCABCLUDA-UHFFFAOYSA-N -1 3 395.459 3.952 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000656567142 841420512 /nfs/dbraw/zinc/42/05/12/841420512.db2.gz DYQUMZHLGXFQHQ-YVEFUNNKSA-N -1 3 392.297 3.607 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)o1 ZINC000651715322 841421161 /nfs/dbraw/zinc/42/11/61/841421161.db2.gz JCFUPHVWRKTRAK-UHFFFAOYSA-N -1 3 383.322 3.923 20 0 GHADHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc3c(c2)oc2ccccc23)C2CC2)no1 ZINC000651717194 841429935 /nfs/dbraw/zinc/42/99/35/841429935.db2.gz VWGKEOAGZCZVLE-HXUWFJFHSA-N -1 3 397.456 3.881 20 0 GHADHM O=C1CCCc2cc(S(=O)(=O)[N-][C@@H](C3CCCC3)C(F)(F)F)ccc21 ZINC000432221825 841539147 /nfs/dbraw/zinc/53/91/47/841539147.db2.gz RLMMTAHHANLEIK-INIZCTEOSA-N -1 3 375.412 3.605 20 0 GHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)c1 ZINC000656622393 841591665 /nfs/dbraw/zinc/59/16/65/841591665.db2.gz CXOFQUXFLLDBQA-LBPRGKRZSA-N -1 3 383.441 3.821 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1Br)C1CCCC1 ZINC000656622868 841597065 /nfs/dbraw/zinc/59/70/65/841597065.db2.gz AATUXOCXKCQOHB-CQSZACIVSA-N -1 3 380.279 3.535 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)cc(Cl)c1OC ZINC000656630808 841619043 /nfs/dbraw/zinc/61/90/43/841619043.db2.gz CQSQHUDXNVUWTC-MRXNPFEDSA-N -1 3 391.917 3.694 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)ncc2Cl)c(C(=O)OCC)[n-]1 ZINC000191965029 841637615 /nfs/dbraw/zinc/63/76/15/841637615.db2.gz NBWYESXGNCVOIQ-UHFFFAOYSA-N -1 3 385.251 3.883 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c(=O)c2c(OC)c1 ZINC000623593365 861231068 /nfs/dbraw/zinc/23/10/68/861231068.db2.gz FLZPVPJHBCCPNH-RBSFLKMASA-N -1 3 384.476 3.634 20 0 GHADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000162645830 841825235 /nfs/dbraw/zinc/82/52/35/841825235.db2.gz LGHBZYHCKCUASB-GFCCVEGCSA-N -1 3 382.423 3.660 20 0 GHADHM O=C([O-])COc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1Cl ZINC000909364319 841834485 /nfs/dbraw/zinc/83/44/85/841834485.db2.gz CACZXQPSLCOAFJ-MRXNPFEDSA-N -1 3 380.872 3.539 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2)C1CCCCC1 ZINC000656730228 841848900 /nfs/dbraw/zinc/84/89/00/841848900.db2.gz BPXREVPOHFETEJ-HXUWFJFHSA-N -1 3 380.554 3.748 20 0 GHADHM CCCCn1cc(C(=O)Nc2cc(I)ccc2[O-])c(C)n1 ZINC000613807205 841894350 /nfs/dbraw/zinc/89/43/50/841894350.db2.gz NSDHRJBXOVSCFQ-UHFFFAOYSA-N -1 3 399.232 3.554 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1nccn1-c1ccccc1 ZINC000430644486 842062921 /nfs/dbraw/zinc/06/29/21/842062921.db2.gz YUTGARYVDSWRCQ-UHFFFAOYSA-N -1 3 381.379 3.833 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000663522427 842085500 /nfs/dbraw/zinc/08/55/00/842085500.db2.gz XNKKSNXZIVZALC-CQSZACIVSA-N -1 3 397.475 3.960 20 0 GHADHM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC001266815917 842164095 /nfs/dbraw/zinc/16/40/95/842164095.db2.gz KZLCITCNQYQEMF-OAHLLOKOSA-N -1 3 392.496 3.620 20 0 GHADHM O=C(N[C@H](CC(=O)N(CC(F)F)C1CC1)c1ccccc1)c1ccc([O-])cc1 ZINC000184233957 842182836 /nfs/dbraw/zinc/18/28/36/842182836.db2.gz ICFWUIMDEVJYBC-GOSISDBHSA-N -1 3 388.414 3.510 20 0 GHADHM COc1ccc([C@@H](NC(=O)NCc2ncccc2[O-])c2ccc(F)cc2)cc1 ZINC000471730935 842273239 /nfs/dbraw/zinc/27/32/39/842273239.db2.gz XZGAJBOXDFHQOY-FQEVSTJZSA-N -1 3 381.407 3.524 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000730810618 861297878 /nfs/dbraw/zinc/29/78/78/861297878.db2.gz CWMUUSCUKRFCHS-WDEREUQCSA-N -1 3 394.306 3.701 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000730810616 861297981 /nfs/dbraw/zinc/29/79/81/861297981.db2.gz CWMUUSCUKRFCHS-MNOVXSKESA-N -1 3 394.306 3.701 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1=CCCC1 ZINC000184294156 842387931 /nfs/dbraw/zinc/38/79/31/842387931.db2.gz VTJPFSSILXXLMS-NRFANRHFSA-N -1 3 378.472 3.870 20 0 GHADHM C[C@H](CC(F)(F)F)CS(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000656922368 842413391 /nfs/dbraw/zinc/41/33/91/842413391.db2.gz IUNWUCRXGKZNLU-MNOVXSKESA-N -1 3 383.436 3.686 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)coc21 ZINC000471769319 842432342 /nfs/dbraw/zinc/43/23/42/842432342.db2.gz LSKTZURCVMASQB-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)coc21 ZINC000471769319 842432352 /nfs/dbraw/zinc/43/23/52/842432352.db2.gz LSKTZURCVMASQB-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)sc1Cl ZINC000432274487 842466539 /nfs/dbraw/zinc/46/65/39/842466539.db2.gz KXBZGSAZXFNUSW-OAHLLOKOSA-N -1 3 385.938 3.892 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000471775440 842471177 /nfs/dbraw/zinc/47/11/77/842471177.db2.gz VFLWVXGTHKXGJW-GOSISDBHSA-N -1 3 383.398 3.849 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000125981708 842490797 /nfs/dbraw/zinc/49/07/97/842490797.db2.gz KDBNYDNRGYVDGT-UHFFFAOYSA-N -1 3 399.285 3.740 20 0 GHADHM O=S(=O)([N-]Cc1coc2ccccc12)c1cc(F)ccc1Br ZINC000432281602 842500096 /nfs/dbraw/zinc/50/00/96/842500096.db2.gz FQQFSHGYHBOVPM-UHFFFAOYSA-N -1 3 384.226 3.813 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](c1ccsc1)N(C)C ZINC000471795628 842566475 /nfs/dbraw/zinc/56/64/75/842566475.db2.gz BCPUZQWSOPVEFQ-HNNXBMFYSA-N -1 3 382.482 3.523 20 0 GHADHM O=C([O-])[C@H]1CN(CCc2cc(Cl)c3c(c2)OCCCO3)Cc2ccccc21 ZINC000652469974 842593384 /nfs/dbraw/zinc/59/33/84/842593384.db2.gz KCMUSGYDQPYHJL-KRWDZBQOSA-N -1 3 387.863 3.728 20 0 GHADHM O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436518441 842927356 /nfs/dbraw/zinc/92/73/56/842927356.db2.gz XWASRBDQKHBVQT-UHFFFAOYSA-N -1 3 391.423 3.768 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nc(C)co3)nc(=O)c2c1C ZINC000188472616 842969041 /nfs/dbraw/zinc/96/90/41/842969041.db2.gz AELWUMXJOQLGOF-SECBINFHSA-N -1 3 379.463 3.619 20 0 GHADHM O=c1nc(CN2CCO[C@H](CC(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000662229338 842971195 /nfs/dbraw/zinc/97/11/95/842971195.db2.gz IGFLCXONQQUEGK-SNVBAGLBSA-N -1 3 399.394 3.810 20 0 GHADHM COC(=O)c1scc(C)c1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000186961183 843262276 /nfs/dbraw/zinc/26/22/76/843262276.db2.gz FAQSVJOMYJMWEI-UHFFFAOYSA-N -1 3 390.392 3.802 20 0 GHADHM CCOc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc(Br)c1[O-] ZINC000064926167 843314806 /nfs/dbraw/zinc/31/48/06/843314806.db2.gz FHCCUYYHUBIPRU-VOTSOKGWSA-N -1 3 379.254 3.800 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)[nH][n-]1 ZINC000512330559 843406454 /nfs/dbraw/zinc/40/64/54/843406454.db2.gz KDUHJZQDTLRUGB-SFHVURJKSA-N -1 3 377.444 3.617 20 0 GHADHM CSc1nc(NC(=O)CCc2cc(Cl)ccc2Br)n[n-]1 ZINC000431019434 843435740 /nfs/dbraw/zinc/43/57/40/843435740.db2.gz PCADWISMNSVOBR-UHFFFAOYSA-N -1 3 375.679 3.514 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC(C)(C)[C@H]3C3CC3)cs2)c1 ZINC000555623485 861421753 /nfs/dbraw/zinc/42/17/53/861421753.db2.gz YTTGZTHGSBVQLH-GOSISDBHSA-N -1 3 399.516 3.599 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000471916463 843486300 /nfs/dbraw/zinc/48/63/00/843486300.db2.gz BGOZICCXGOLWAK-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)CN([C@@H](C)c4ccccc4)C3=O)cc2)cc(=O)[n-]1 ZINC000349276141 861425260 /nfs/dbraw/zinc/42/52/60/861425260.db2.gz KLQDUPSGOIPWDW-AWEZNQCLSA-N -1 3 388.427 3.687 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)CSc2n[n-]c(=S)s2)N2CCCC2)cc1 ZINC000176151173 843692132 /nfs/dbraw/zinc/69/21/32/843692132.db2.gz JCQNUMSBMLFIFJ-CQSZACIVSA-N -1 3 394.591 3.555 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432768035 843751735 /nfs/dbraw/zinc/75/17/35/843751735.db2.gz WHQHKCSLRUQKSL-UHFFFAOYSA-N -1 3 393.505 3.953 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cccc1OCC(F)(F)F ZINC000432771509 843764388 /nfs/dbraw/zinc/76/43/88/843764388.db2.gz XHJWRSKXFWOLHH-UHFFFAOYSA-N -1 3 388.411 3.803 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c(C)cn1 ZINC000548474556 843843221 /nfs/dbraw/zinc/84/32/21/843843221.db2.gz DYANVSBGTZNMEB-UHFFFAOYSA-N -1 3 391.290 3.837 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2ccc(C)cc2C)[nH][n-]1 ZINC000512849092 843882836 /nfs/dbraw/zinc/88/28/36/843882836.db2.gz MLBXNTBUFBFCEW-UHFFFAOYSA-N -1 3 385.851 3.795 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000512463472 843884588 /nfs/dbraw/zinc/88/45/88/843884588.db2.gz ORHNMPHCZKFTKU-BBRMVZONSA-N -1 3 378.350 3.655 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1cccc(Cl)c1Cl ZINC000333061563 843943053 /nfs/dbraw/zinc/94/30/53/843943053.db2.gz SNLBVXGFQQIDDG-LLVKDONJSA-N -1 3 396.361 3.717 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000603956028 861485361 /nfs/dbraw/zinc/48/53/61/861485361.db2.gz VKRIAXGNQYUTSX-OAHLLOKOSA-N -1 3 387.910 3.864 20 0 GHADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161996697 861495604 /nfs/dbraw/zinc/49/56/04/861495604.db2.gz AYBKYMQDYSYMPN-SECBINFHSA-N -1 3 378.288 3.559 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2Br)cc1Cl ZINC000432965342 844777550 /nfs/dbraw/zinc/77/75/50/844777550.db2.gz FQFUKJNOFQRFQF-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2CCc3ccc(OC)cc32)c(C(=O)OCC)[n-]1 ZINC000432983700 844849164 /nfs/dbraw/zinc/84/91/64/844849164.db2.gz GTEYWONCIFRTTF-OAHLLOKOSA-N -1 3 385.464 3.606 20 0 GHADHM CCCCn1ncc(C(=O)Nc2cc(I)ccc2[O-])c1C ZINC000610936789 844871754 /nfs/dbraw/zinc/87/17/54/844871754.db2.gz FMIVJKLBSMYKFC-UHFFFAOYSA-N -1 3 399.232 3.554 20 0 GHADHM CCOC(Cn1cc(C(=O)[N-]c2cc(Cl)ccc2SCC)nn1)OCC ZINC000729409314 844938807 /nfs/dbraw/zinc/93/88/07/844938807.db2.gz BPFCIVLNNFYWOA-UHFFFAOYSA-N -1 3 398.916 3.695 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1-n1cccn1)c1cc(C(F)(F)F)ccc1F ZINC000513170775 844984764 /nfs/dbraw/zinc/98/47/64/844984764.db2.gz MWRVRLUBJAECRB-UHFFFAOYSA-N -1 3 399.369 3.509 20 0 GHADHM CCC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCC1 ZINC000458332950 845038236 /nfs/dbraw/zinc/03/82/36/845038236.db2.gz GTPJMGFREVOOOD-IBGZPJMESA-N -1 3 382.508 3.548 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000585238449 845119104 /nfs/dbraw/zinc/11/91/04/845119104.db2.gz XATUDMDVTCKWMP-UHFFFAOYSA-N -1 3 380.441 3.875 20 0 GHADHM CC(C)(C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000548510808 845171301 /nfs/dbraw/zinc/17/13/01/845171301.db2.gz VJCLCMUIZQKMME-NSHDSACASA-N -1 3 383.208 3.931 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[n-]1 ZINC000431266425 845212813 /nfs/dbraw/zinc/21/28/13/845212813.db2.gz ZTRZCGPOVINAKQ-UHFFFAOYSA-N -1 3 391.143 3.835 20 0 GHADHM [O-]c1ccc(F)c(CNCc2noc(-c3cccc(Br)c3)n2)c1F ZINC000513334268 845255607 /nfs/dbraw/zinc/25/56/07/845255607.db2.gz VXCLCIXLKOUQAS-UHFFFAOYSA-N -1 3 396.191 3.773 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3nc(C)ccc3c2)cc1OC ZINC000277202810 845288561 /nfs/dbraw/zinc/28/85/61/845288561.db2.gz GQUBNUUQBMDRPV-IBGZPJMESA-N -1 3 380.444 3.866 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OCC(F)F)cc2)cc1OC ZINC000277235434 845362451 /nfs/dbraw/zinc/36/24/51/845362451.db2.gz IXHYKSANMNCRJS-INIZCTEOSA-N -1 3 395.402 3.653 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[n-]1 ZINC000512775501 845485829 /nfs/dbraw/zinc/48/58/29/845485829.db2.gz XMDRUXTVJOYERY-UHFFFAOYSA-N -1 3 376.718 3.648 20 0 GHADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000472040166 845538452 /nfs/dbraw/zinc/53/84/52/845538452.db2.gz ZTPAQCYUOIBFJL-WCBMZHEXSA-N -1 3 381.192 3.637 20 0 GHADHM O=c1[n-]c(SCc2cc(C3CC3)no2)nc2c1cnn2Cc1ccccc1 ZINC000657283707 845667605 /nfs/dbraw/zinc/66/76/05/845667605.db2.gz HFRKHHLBANDFGW-UHFFFAOYSA-N -1 3 379.445 3.738 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)CC(C)C)cc1OC ZINC000433992085 845703869 /nfs/dbraw/zinc/70/38/69/845703869.db2.gz BWEBLQGMTNBSAF-UHFFFAOYSA-N -1 3 385.530 3.651 20 0 GHADHM C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001167517294 846036990 /nfs/dbraw/zinc/03/69/90/846036990.db2.gz HNBYBYCSUCFSRM-KRWDZBQOSA-N -1 3 398.470 3.535 20 0 GHADHM C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001167517294 846036995 /nfs/dbraw/zinc/03/69/95/846036995.db2.gz HNBYBYCSUCFSRM-KRWDZBQOSA-N -1 3 398.470 3.535 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)[n-]1 ZINC000431343997 846219398 /nfs/dbraw/zinc/21/93/98/846219398.db2.gz JWAKJRJPBHZXMY-UHFFFAOYSA-N -1 3 387.399 3.506 20 0 GHADHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000277460231 846223196 /nfs/dbraw/zinc/22/31/96/846223196.db2.gz VMYLBLSTIHTNDZ-INIZCTEOSA-N -1 3 385.489 3.585 20 0 GHADHM CCOC(=O)COc1cccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)c1 ZINC000481551461 861656573 /nfs/dbraw/zinc/65/65/73/861656573.db2.gz ZYNIUJPAIFORBI-UHFFFAOYSA-N -1 3 392.333 3.963 20 0 GHADHM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1 ZINC000026548540 846296431 /nfs/dbraw/zinc/29/64/31/846296431.db2.gz FEUMDAPXFBBFAY-OAHLLOKOSA-N -1 3 390.505 3.516 20 0 GHADHM CCC[C@@H]1CCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678858 846480586 /nfs/dbraw/zinc/48/05/86/846480586.db2.gz FAGCPIFSSRTAPA-NXEZZACHSA-N -1 3 382.224 3.785 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C[C@H]1C ZINC000421679623 846482619 /nfs/dbraw/zinc/48/26/19/846482619.db2.gz MKBRRZGABMAEDH-BBBLOLIVSA-N -1 3 382.224 3.641 20 0 GHADHM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CCc2ccccc2CC1 ZINC000582186604 846600019 /nfs/dbraw/zinc/60/00/19/846600019.db2.gz IJWULZOVYDUJIN-QGZVFWFLSA-N -1 3 378.241 3.815 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1c(F)cccc1OC(F)(F)F ZINC000582234709 846686279 /nfs/dbraw/zinc/68/62/79/846686279.db2.gz KAUBMZCOUQKCPC-SNVBAGLBSA-N -1 3 399.431 3.536 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)cc1OC ZINC000414419573 846690267 /nfs/dbraw/zinc/69/02/67/846690267.db2.gz UHGRGGUFURAYMI-CABCVRRESA-N -1 3 397.541 3.793 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N2CCCC2)s1 ZINC000503006244 846708988 /nfs/dbraw/zinc/70/89/88/846708988.db2.gz SKJQOWUSOGBDPV-QGZVFWFLSA-N -1 3 387.553 3.822 20 0 GHADHM CC[C@@H](CC(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC)c1ccccc1 ZINC000422046983 846779247 /nfs/dbraw/zinc/77/92/47/846779247.db2.gz UMKIEMOCGWVMHO-WMZOPIPTSA-N -1 3 387.451 3.563 20 0 GHADHM COc1cccc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)c2nccn2C)c1 ZINC000375687698 846843063 /nfs/dbraw/zinc/84/30/63/846843063.db2.gz BZGMBXPKCIQUAP-NRFANRHFSA-N -1 3 387.439 3.807 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000501353768 846864625 /nfs/dbraw/zinc/86/46/25/846864625.db2.gz LFJUKCXCKBSNAY-GFCCVEGCSA-N -1 3 397.272 3.878 20 0 GHADHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 ZINC000272065120 846983235 /nfs/dbraw/zinc/98/32/35/846983235.db2.gz JMTGAFGXKLBLKL-OAHLLOKOSA-N -1 3 394.493 3.647 20 0 GHADHM O=Cc1ccc(OCc2occc2C(=O)[N-]c2nnc(C(F)F)s2)cc1 ZINC000731619321 861761621 /nfs/dbraw/zinc/76/16/21/861761621.db2.gz XNCLDGVOXWWKTJ-UHFFFAOYSA-N -1 3 379.344 3.713 20 0 GHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600364523 861769701 /nfs/dbraw/zinc/76/97/01/861769701.db2.gz VONMCIQJHQTNAS-HOCLYGCPSA-N -1 3 379.472 3.680 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3ccc(Br)cc3)n[n-]2)o1 ZINC000501861221 847286907 /nfs/dbraw/zinc/28/69/07/847286907.db2.gz ILRKPBICHOSYNQ-JTQLQIEISA-N -1 3 375.226 3.878 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000273287953 847293830 /nfs/dbraw/zinc/29/38/30/847293830.db2.gz BSHAWOYDAKCLHU-CYBMUJFWSA-N -1 3 383.448 3.593 20 0 GHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273384401 847322636 /nfs/dbraw/zinc/32/26/36/847322636.db2.gz FHQMOVGXNVCZQX-ACJLOTCBSA-N -1 3 385.464 3.982 20 0 GHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000273384403 847323161 /nfs/dbraw/zinc/32/31/61/847323161.db2.gz FHQMOVGXNVCZQX-SCLBCKFNSA-N -1 3 385.464 3.982 20 0 GHADHM CCCN(C)[C@H](CNC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000899781732 861781823 /nfs/dbraw/zinc/78/18/23/861781823.db2.gz GQOKTBYSJRCZNK-SQGPQFPESA-N -1 3 380.916 3.586 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273576205 847375266 /nfs/dbraw/zinc/37/52/66/847375266.db2.gz MNQHBOJWJXSLOI-IAGOWNOFSA-N -1 3 389.423 3.541 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)sc1Br ZINC000420700820 847382520 /nfs/dbraw/zinc/38/25/20/847382520.db2.gz DEXQGJQJFUGWCB-JTQLQIEISA-N -1 3 396.397 3.631 20 0 GHADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc(Cl)ccc1OC(F)F ZINC000420715571 847397375 /nfs/dbraw/zinc/39/73/75/847397375.db2.gz BFDSCRVPJBHXKL-UHFFFAOYSA-N -1 3 379.734 3.561 20 0 GHADHM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503281910 847555611 /nfs/dbraw/zinc/55/56/11/847555611.db2.gz HKMSFWXHVXNSAT-SFHVURJKSA-N -1 3 390.422 3.780 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccco1 ZINC000152727939 847675062 /nfs/dbraw/zinc/67/50/62/847675062.db2.gz CQIDCBNUNLRORV-GOSISDBHSA-N -1 3 392.864 3.546 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000545891502 847704415 /nfs/dbraw/zinc/70/44/15/847704415.db2.gz ZLHDADMVWOCCPA-INIZCTEOSA-N -1 3 382.507 3.974 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC2CC2)c(Cl)cc1Cl ZINC000022972070 848080171 /nfs/dbraw/zinc/08/01/71/848080171.db2.gz GACFXZKORLRROK-SNVBAGLBSA-N -1 3 393.336 3.600 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000684997246 848097022 /nfs/dbraw/zinc/09/70/22/848097022.db2.gz LMKCDLZKJSYWCA-SLYNCCJLSA-N -1 3 392.499 3.792 20 0 GHADHM Cc1ccnc(Oc2cc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)ccc2C)c1 ZINC000277876224 848288238 /nfs/dbraw/zinc/28/82/38/848288238.db2.gz BFOMGQAQIKAACJ-CYBMUJFWSA-N -1 3 379.338 3.868 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c1 ZINC000179996528 861893096 /nfs/dbraw/zinc/89/30/96/861893096.db2.gz RXKOHTXWTCLGQI-UHFFFAOYSA-N -1 3 375.428 3.664 20 0 GHADHM COc1cc(OC)cc([C@H]([N-]c2nnc(C(F)(F)F)s2)c2nccn2C)c1 ZINC000153394988 848437256 /nfs/dbraw/zinc/43/72/56/848437256.db2.gz IFCAIXDNMUYQGA-LBPRGKRZSA-N -1 3 399.398 3.509 20 0 GHADHM C[C@H](NC(=O)CO[N-]C(=O)CCOc1ccccc1)c1ccc2ccccc2c1 ZINC000731842243 861921990 /nfs/dbraw/zinc/92/19/90/861921990.db2.gz WWHSXURCWPGPKX-KRWDZBQOSA-N -1 3 392.455 3.534 20 0 GHADHM Cc1ccc([C@@H](CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)C(=O)[O-])cc1 ZINC000899827282 861924975 /nfs/dbraw/zinc/92/49/75/861924975.db2.gz JNDVJWVEJDXZRA-SYYKKAFVSA-N -1 3 392.499 3.696 20 0 GHADHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000180068446 861935019 /nfs/dbraw/zinc/93/50/19/861935019.db2.gz PWORMSYRONMYLR-UHFFFAOYSA-N -1 3 387.166 3.501 20 0 GHADHM O=S(=O)([N-][C@H]1CCCSc2ccc(Br)cc21)c1ccco1 ZINC000625448326 861943580 /nfs/dbraw/zinc/94/35/80/861943580.db2.gz GKEKSCUQIVYAJU-LBPRGKRZSA-N -1 3 388.308 3.948 20 0 GHADHM Cc1cccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000123379516 849113039 /nfs/dbraw/zinc/11/30/39/849113039.db2.gz DGCKASTUNIRWMT-UHFFFAOYSA-N -1 3 388.855 3.632 20 0 GHADHM C[C@@H](CCc1ccco1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000548790185 849402267 /nfs/dbraw/zinc/40/22/67/849402267.db2.gz XDLMZBXEAZEVIG-NSHDSACASA-N -1 3 389.249 3.635 20 0 GHADHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000504003715 849834696 /nfs/dbraw/zinc/83/46/96/849834696.db2.gz GLYULXQXDWVLFT-UHFFFAOYSA-N -1 3 389.390 3.910 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC=C(c3ccccn3)C2)s1 ZINC000908400735 850079322 /nfs/dbraw/zinc/07/93/22/850079322.db2.gz VRPIPAYNNXGJLB-UHFFFAOYSA-N -1 3 386.477 3.815 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cnc2ccsc2c1 ZINC000439572624 850134521 /nfs/dbraw/zinc/13/45/21/850134521.db2.gz NRKLAERJNMHUGA-UHFFFAOYSA-N -1 3 396.877 3.912 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439574982 850136796 /nfs/dbraw/zinc/13/67/96/850136796.db2.gz UBUOKBODTPRCCI-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC000510018786 850165903 /nfs/dbraw/zinc/16/59/03/850165903.db2.gz KPZZJKJTZVQTGX-GFCCVEGCSA-N -1 3 385.835 3.986 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000430129591 850174616 /nfs/dbraw/zinc/17/46/16/850174616.db2.gz ZHKSJBYFYHSWRO-UHFFFAOYSA-N -1 3 384.155 3.790 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1cc(F)ccc1Br ZINC000435218463 850224361 /nfs/dbraw/zinc/22/43/61/850224361.db2.gz ABEMGGHANLMIHZ-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM CC(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000439649784 850227828 /nfs/dbraw/zinc/22/78/28/850227828.db2.gz CJUWPPKJNNVNSJ-MRXNPFEDSA-N -1 3 390.361 3.716 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(Br)s1 ZINC000435205912 850231209 /nfs/dbraw/zinc/23/12/09/850231209.db2.gz KFYNILGRFXKKQK-BYCMXARLSA-N -1 3 384.320 3.517 20 0 GHADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2N1 ZINC000032097803 850258449 /nfs/dbraw/zinc/25/84/49/850258449.db2.gz NOCZIFSELYNFKT-UHFFFAOYSA-N -1 3 389.235 3.818 20 0 GHADHM C[C@@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000424251838 850314096 /nfs/dbraw/zinc/31/40/96/850314096.db2.gz CWIAUMFAKNAJKB-OCCSQVGLSA-N -1 3 387.307 3.890 20 0 GHADHM Cc1ccc([C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C(=O)[O-])cc1C ZINC000908751098 850327757 /nfs/dbraw/zinc/32/77/57/850327757.db2.gz JHVAWLICSMNGLF-SFTDATJTSA-N -1 3 395.503 3.565 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)N(C)C)cc1 ZINC000908752582 850329035 /nfs/dbraw/zinc/32/90/35/850329035.db2.gz KOOVIRFYSDKYNJ-NFBKMPQASA-N -1 3 397.519 3.541 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000908754872 850332443 /nfs/dbraw/zinc/33/24/43/850332443.db2.gz WFIMCJUNRZUXDO-LEWJYISDSA-N -1 3 397.519 3.594 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Br)s1 ZINC000435444940 850535826 /nfs/dbraw/zinc/53/58/26/850535826.db2.gz UFMDDVPYFCUHAQ-GMSGAONNSA-N -1 3 394.262 3.623 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000515052810 850629762 /nfs/dbraw/zinc/62/97/62/850629762.db2.gz ZNOSLFRBEDAXGU-CTYIDZIISA-N -1 3 397.272 3.967 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2cc(F)c(F)cc2F)[nH][n-]1 ZINC000487331272 850701688 /nfs/dbraw/zinc/70/16/88/850701688.db2.gz BCSSJZVDWSAOHV-UHFFFAOYSA-N -1 3 395.768 3.759 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC000519164814 850709609 /nfs/dbraw/zinc/70/96/09/850709609.db2.gz ZRCNRKRTXDWSFR-NVXWUHKLSA-N -1 3 387.835 3.817 20 0 GHADHM Cc1cc(Br)cc(C)c1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000732279692 862173417 /nfs/dbraw/zinc/17/34/17/862173417.db2.gz WUMGBQKOYBVNAR-UHFFFAOYSA-N -1 3 386.249 3.645 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000519245162 850805385 /nfs/dbraw/zinc/80/53/85/850805385.db2.gz RKAJSMFLRLEKDE-UHFFFAOYSA-N -1 3 394.493 3.865 20 0 GHADHM O=C([O-])c1cccc2c1CN(C(=O)c1cccc(CN3CCCCC3)c1)CC2 ZINC000909864223 850839649 /nfs/dbraw/zinc/83/96/49/850839649.db2.gz CUEXDUNRWGHGFK-UHFFFAOYSA-N -1 3 378.472 3.569 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C(F)F)n(C)n3)nc(=O)c2c1C ZINC000910007550 850954348 /nfs/dbraw/zinc/95/43/48/850954348.db2.gz XKZWGAOKBWQJFM-SSDOTTSWSA-N -1 3 382.392 3.603 20 0 GHADHM CC1(C)CCC[C@@](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])C1 ZINC000910217654 851056753 /nfs/dbraw/zinc/05/67/53/851056753.db2.gz FDOJQGHUVOGBKJ-JTSKRJEESA-N -1 3 390.499 3.578 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000426643216 851103531 /nfs/dbraw/zinc/10/35/31/851103531.db2.gz NJIDRMHBSZPIPF-SCLBCKFNSA-N -1 3 387.929 3.504 20 0 GHADHM Cc1c2ccccc2nc(N(C)CCCN(C)Cc2ccncc2)c1C(=O)[O-] ZINC000910377974 851177006 /nfs/dbraw/zinc/17/70/06/851177006.db2.gz BWYRXKVULULCLG-UHFFFAOYSA-N -1 3 378.476 3.595 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000436102478 851198794 /nfs/dbraw/zinc/19/87/94/851198794.db2.gz LQIYJXLGGZCQSB-KRWDZBQOSA-N -1 3 383.835 3.983 20 0 GHADHM CCCCSCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000729451584 851227598 /nfs/dbraw/zinc/22/75/98/851227598.db2.gz PIZBAMCJEIKQIZ-UHFFFAOYSA-N -1 3 384.445 3.549 20 0 GHADHM COc1cc(C(=O)NCc2ncccc2[O-])cc(Cl)c1OCCC(C)C ZINC000473629587 851306383 /nfs/dbraw/zinc/30/63/83/851306383.db2.gz NNZCDLMZPXYXRD-UHFFFAOYSA-N -1 3 378.856 3.804 20 0 GHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H]1OCCc2ccccc21 ZINC000515674368 851319188 /nfs/dbraw/zinc/31/91/88/851319188.db2.gz IHOFFMOFLXRJGC-GOSISDBHSA-N -1 3 375.428 3.827 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1OC(C)C ZINC000546180155 851321667 /nfs/dbraw/zinc/32/16/67/851321667.db2.gz MIDQTMFXGKUQQS-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM CC(C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Br ZINC000534577058 851394094 /nfs/dbraw/zinc/39/40/94/851394094.db2.gz SXVBNBACZPHBAE-UHFFFAOYSA-N -1 3 385.261 3.956 20 0 GHADHM CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1cccc(C(=O)[O-])c1 ZINC000910965548 851485384 /nfs/dbraw/zinc/48/53/84/851485384.db2.gz CGUXNHFKPCHQDI-UHFFFAOYSA-N -1 3 395.503 3.582 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000488441587 851505068 /nfs/dbraw/zinc/50/50/68/851505068.db2.gz LEUNNORHGSAAJI-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000732394206 862257270 /nfs/dbraw/zinc/25/72/70/862257270.db2.gz ZFSHYNJLNDZTHA-OAHLLOKOSA-N -1 3 383.231 3.914 20 0 GHADHM CC1CCN([C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc2)CC1 ZINC000911245920 851641171 /nfs/dbraw/zinc/64/11/71/851641171.db2.gz FILIRPDYXDOKKY-YUVSOPLDSA-N -1 3 384.520 3.611 20 0 GHADHM CC1CCN([C@@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2ccccc2)CC1 ZINC000911249459 851645208 /nfs/dbraw/zinc/64/52/08/851645208.db2.gz YPYLDDXJMOCHPO-IBGZPJMESA-N -1 3 384.520 3.611 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2ccccc2CCC(=O)[O-])c2ccccc2)CC1 ZINC000911248755 851645555 /nfs/dbraw/zinc/64/55/55/851645555.db2.gz SNSOLRJJPJGNLT-JOCHJYFZSA-N -1 3 394.515 3.907 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3ccccc3F)c2)n1 ZINC000049301869 851648191 /nfs/dbraw/zinc/64/81/91/851648191.db2.gz FVDQWWJOLCNDPX-UHFFFAOYSA-N -1 3 381.407 3.546 20 0 GHADHM Cn1nc(C(F)F)c2cc(C(=O)Nc3nc(-c4ccccc4F)n[n-]3)sc21 ZINC000473701260 851708810 /nfs/dbraw/zinc/70/88/10/851708810.db2.gz TWSKMRKSYALBAR-UHFFFAOYSA-N -1 3 392.366 3.749 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426664731 851779844 /nfs/dbraw/zinc/77/98/44/851779844.db2.gz SMGZWPHKUCYZDL-OAQYLSRUSA-N -1 3 396.418 3.518 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1cc(F)ccc1Cl ZINC000488825136 851802157 /nfs/dbraw/zinc/80/21/57/851802157.db2.gz PNXDXOYLUULPHG-AWEZNQCLSA-N -1 3 388.917 3.656 20 0 GHADHM O=S(=O)([N-]Cc1nccc2ccccc21)c1cc(C(F)(F)F)ccc1F ZINC000488832924 851821691 /nfs/dbraw/zinc/82/16/91/851821691.db2.gz ZOWZEQDJKXPAIW-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(F)c1Br ZINC000550197627 851872227 /nfs/dbraw/zinc/87/22/27/851872227.db2.gz KHLKBKCOPOBFDA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(F)c1Br ZINC000550197627 851872234 /nfs/dbraw/zinc/87/22/34/851872234.db2.gz KHLKBKCOPOBFDA-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1cc(F)ccc1Cl ZINC000488946181 851893409 /nfs/dbraw/zinc/89/34/09/851893409.db2.gz RIEHHACLRITRST-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1csc(NC2CC2)n1 ZINC000425942174 851963020 /nfs/dbraw/zinc/96/30/20/851963020.db2.gz GDIFOZPFDIQGKY-UHFFFAOYSA-N -1 3 377.882 3.564 20 0 GHADHM Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)c3cccc(C)c3[O-])c1-2 ZINC000436525155 852016075 /nfs/dbraw/zinc/01/60/75/852016075.db2.gz MUSAWTKECHVYPI-UHFFFAOYSA-N -1 3 379.395 3.522 20 0 GHADHM COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436526188 852017546 /nfs/dbraw/zinc/01/75/46/852017546.db2.gz PWNJSKQPODPAOB-STQMWFEESA-N -1 3 382.441 3.807 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1noc(C)n1 ZINC000436549214 852036779 /nfs/dbraw/zinc/03/67/79/852036779.db2.gz VINFIZHGALMTSO-IBGZPJMESA-N -1 3 381.432 3.735 20 0 GHADHM COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000436552432 852040932 /nfs/dbraw/zinc/04/09/32/852040932.db2.gz CZJOPJMQZNFJPH-UHFFFAOYSA-N -1 3 382.441 3.541 20 0 GHADHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436541672 852053396 /nfs/dbraw/zinc/05/33/96/852053396.db2.gz XIFRSOMMODXBAV-UHFFFAOYSA-N -1 3 394.471 3.768 20 0 GHADHM O=C(NCc1nccn1CC(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436566373 852069795 /nfs/dbraw/zinc/06/97/95/852069795.db2.gz LPGHFOGEXMYMOC-UHFFFAOYSA-N -1 3 391.349 3.873 20 0 GHADHM CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436599047 852084442 /nfs/dbraw/zinc/08/44/42/852084442.db2.gz WLHOCIJQCNMGCD-UHFFFAOYSA-N -1 3 396.468 3.607 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000436602661 852101780 /nfs/dbraw/zinc/10/17/80/852101780.db2.gz FQIJVIZEIANPCP-MHECFPHRSA-N -1 3 395.499 3.588 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCN(c2ccccn2)CC1 ZINC000436613238 852114537 /nfs/dbraw/zinc/11/45/37/852114537.db2.gz TVBPLLHZFALGIX-UHFFFAOYSA-N -1 3 387.483 3.535 20 0 GHADHM Cc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c(O)c1 ZINC000436625243 852120236 /nfs/dbraw/zinc/12/02/36/852120236.db2.gz CQCHFIJJJSKRBR-UHFFFAOYSA-N -1 3 397.456 3.605 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCCC[C@@H]3C)cs2)c1 ZINC000436629338 852124018 /nfs/dbraw/zinc/12/40/18/852124018.db2.gz VFSORMGKVRGVTA-BBRMVZONSA-N -1 3 387.505 3.647 20 0 GHADHM Cc1ccc(CNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000436637979 852130980 /nfs/dbraw/zinc/13/09/80/852130980.db2.gz DEAVEYOTHIQYJK-UHFFFAOYSA-N -1 3 395.484 3.577 20 0 GHADHM COc1ccccc1CC1CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000436663490 852160608 /nfs/dbraw/zinc/16/06/08/852160608.db2.gz MBCOPQSSKXBKKN-UHFFFAOYSA-N -1 3 385.460 3.513 20 0 GHADHM Cn1nccc1[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436677632 852185023 /nfs/dbraw/zinc/18/50/23/852185023.db2.gz YIPHBZZLOJBJCM-INIZCTEOSA-N -1 3 377.444 3.938 20 0 GHADHM CSCc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000436692318 852195682 /nfs/dbraw/zinc/19/56/82/852195682.db2.gz WUCOXLHXHAFBKG-UHFFFAOYSA-N -1 3 383.473 3.586 20 0 GHADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436724051 852249346 /nfs/dbraw/zinc/24/93/46/852249346.db2.gz MXAMIYBQPVVQFI-KRWDZBQOSA-N -1 3 392.421 3.597 20 0 GHADHM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436732787 852272412 /nfs/dbraw/zinc/27/24/12/852272412.db2.gz ATAWMNLKYUEGPY-FQEVSTJZSA-N -1 3 386.536 3.919 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC(F)(F)F)cc3)nc21 ZINC000438351881 852278162 /nfs/dbraw/zinc/27/81/62/852278162.db2.gz ISPZKPREJYBQSN-UHFFFAOYSA-N -1 3 379.294 3.500 20 0 GHADHM Cc1cc2cc(CN[C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])oc2cc1C ZINC000426725679 852310703 /nfs/dbraw/zinc/31/07/03/852310703.db2.gz CXVLZFFEOCLYND-CQSZACIVSA-N -1 3 381.354 3.508 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000426728373 852321198 /nfs/dbraw/zinc/32/11/98/852321198.db2.gz UKTYYFOMTVWEOI-OAQYLSRUSA-N -1 3 397.450 3.775 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(OC)cc3c2O[C@@H](C)C3)cc1 ZINC000426734899 852331308 /nfs/dbraw/zinc/33/13/08/852331308.db2.gz BWBVCYVSDWYDKJ-VBKZILBWSA-N -1 3 385.460 3.723 20 0 GHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473849943 852334525 /nfs/dbraw/zinc/33/45/25/852334525.db2.gz MCOXGVRVFKACTF-NRFANRHFSA-N -1 3 389.455 3.952 20 0 GHADHM CCn1nc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c2ccccc21 ZINC000426738060 852334535 /nfs/dbraw/zinc/33/45/35/852334535.db2.gz SMSTXAYZVPOIAO-LJQANCHMSA-N -1 3 383.517 3.575 20 0 GHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849945 852334875 /nfs/dbraw/zinc/33/48/75/852334875.db2.gz MCOXGVRVFKACTF-OAQYLSRUSA-N -1 3 389.455 3.952 20 0 GHADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000489434579 852334955 /nfs/dbraw/zinc/33/49/55/852334955.db2.gz JXRQCCRXHPWJIZ-UHFFFAOYSA-N -1 3 398.403 3.703 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1O)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000436789543 852345035 /nfs/dbraw/zinc/34/50/35/852345035.db2.gz DPTSODZZHXZHFM-CQSZACIVSA-N -1 3 376.412 3.841 20 0 GHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2ccccc2F)o1 ZINC000426755874 852362416 /nfs/dbraw/zinc/36/24/16/852362416.db2.gz GNBXCFCDRBVFJR-CQSZACIVSA-N -1 3 397.328 3.544 20 0 GHADHM CCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000436803558 852363113 /nfs/dbraw/zinc/36/31/13/852363113.db2.gz QHMPTHVTNWKSDB-UHFFFAOYSA-N -1 3 381.259 3.972 20 0 GHADHM CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436831180 852380293 /nfs/dbraw/zinc/38/02/93/852380293.db2.gz XJVDXJXMOBJPLT-LAUBAEHRSA-N -1 3 380.488 3.507 20 0 GHADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(CC)cc2[O-])c(F)cc1F ZINC000436821027 852389980 /nfs/dbraw/zinc/38/99/80/852389980.db2.gz NOWKYUWAGLGENU-UHFFFAOYSA-N -1 3 398.431 3.637 20 0 GHADHM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000436856087 852400897 /nfs/dbraw/zinc/40/08/97/852400897.db2.gz RCJCXOFLPSMQSQ-APPDUMDISA-N -1 3 381.350 3.719 20 0 GHADHM C[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)Cc1cccc(F)c1 ZINC000436842840 852407989 /nfs/dbraw/zinc/40/79/89/852407989.db2.gz XRZWCXDGJICKOH-MRXNPFEDSA-N -1 3 398.478 3.521 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1OCc1cccnc1 ZINC000426801544 852411926 /nfs/dbraw/zinc/41/19/26/852411926.db2.gz RSVXPYDLNWIUJU-NRFANRHFSA-N -1 3 396.418 3.724 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCc3cccc(F)c3F)cc2)cc(=O)[n-]1 ZINC000489507510 852417269 /nfs/dbraw/zinc/41/72/69/852417269.db2.gz NGOXFBIZMJEDEU-UHFFFAOYSA-N -1 3 384.386 3.800 20 0 GHADHM C[C@@H](c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1)N1CCOCC1 ZINC000436851578 852419175 /nfs/dbraw/zinc/41/91/75/852419175.db2.gz MCMZWLQJJIPZMF-INIZCTEOSA-N -1 3 380.488 3.917 20 0 GHADHM O=C([O-])[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 ZINC000426810625 852421870 /nfs/dbraw/zinc/42/18/70/852421870.db2.gz JEPQDTXFGSHERQ-INIZCTEOSA-N -1 3 386.249 3.755 20 0 GHADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C(C)=O)c([O-])c3)n2)cc1 ZINC000436861255 852422680 /nfs/dbraw/zinc/42/26/80/852422680.db2.gz JZPGSRNQDXFLJW-UHFFFAOYSA-N -1 3 395.440 3.929 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OCc1ccncc1 ZINC000426817984 852429022 /nfs/dbraw/zinc/42/90/22/852429022.db2.gz QPOLQUWOVMCLCO-LJQANCHMSA-N -1 3 384.457 3.646 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OC)c(Br)c2)C(=O)[O-])cc1F ZINC000426822311 852433112 /nfs/dbraw/zinc/43/31/12/852433112.db2.gz BCCYOYWSPDBCHE-INIZCTEOSA-N -1 3 398.228 3.521 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1[O-] ZINC000436873266 852437262 /nfs/dbraw/zinc/43/72/62/852437262.db2.gz ZPPDSBFILFJFHP-UHFFFAOYSA-N -1 3 381.350 3.604 20 0 GHADHM COCCOc1ccc(Br)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436893738 852445190 /nfs/dbraw/zinc/44/51/90/852445190.db2.gz OMJYFMTUBTVHMA-UHFFFAOYSA-N -1 3 380.238 3.741 20 0 GHADHM Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436914536 852494060 /nfs/dbraw/zinc/49/40/60/852494060.db2.gz ZMWIVHSYHQNPAK-FQEVSTJZSA-N -1 3 394.496 3.940 20 0 GHADHM COc1cccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)c1[O-] ZINC000436917183 852496005 /nfs/dbraw/zinc/49/60/05/852496005.db2.gz AQUXDQUICMBIIF-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CC(C)c1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436918537 852499759 /nfs/dbraw/zinc/49/97/59/852499759.db2.gz HFVWRCRLNBQYGB-UHFFFAOYSA-N -1 3 381.476 3.942 20 0 GHADHM Cc1ccc(N2C[C@@]3(CCN(Cc4ccc(Cl)cc4C(=O)[O-])C3)CC2=O)cc1 ZINC001142657117 862366678 /nfs/dbraw/zinc/36/66/78/862366678.db2.gz PGDGBUICPDJJRW-QFIPXVFZSA-N -1 3 398.890 3.976 20 0 GHADHM CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cccc(C)c3[O-])ccc21 ZINC000436950476 852540463 /nfs/dbraw/zinc/54/04/63/852540463.db2.gz ZEGONCHISINFJD-UHFFFAOYSA-N -1 3 379.460 3.776 20 0 GHADHM Cc1c(Cl)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)nc2ccccc12 ZINC000436950666 852540537 /nfs/dbraw/zinc/54/05/37/852540537.db2.gz NVACUYBQIHWNCQ-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1[O-] ZINC000436953631 852544189 /nfs/dbraw/zinc/54/41/89/852544189.db2.gz AQLKZOQEJRSCDO-UHFFFAOYSA-N -1 3 383.429 3.735 20 0 GHADHM COc1cccc(-c2nc([C@@H](OC)c3ccc(Br)cc3)no2)c1[O-] ZINC000436953424 852544644 /nfs/dbraw/zinc/54/46/44/852544644.db2.gz PGVDWEGGGRAFIH-HNNXBMFYSA-N -1 3 391.221 3.949 20 0 GHADHM COc1cc([C@H](NC(=O)c2ccc(C)cc2[O-])C(F)(F)F)cc(OC)c1OC ZINC000436956507 852546951 /nfs/dbraw/zinc/54/69/51/852546951.db2.gz MWQBLENACFRJMI-KRWDZBQOSA-N -1 3 399.365 3.760 20 0 GHADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1ccc(F)cc1C(F)(F)F ZINC000489738175 852561838 /nfs/dbraw/zinc/56/18/38/852561838.db2.gz UGLLVALYTUTAPT-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)C3CCC3)cs2)c1 ZINC000436980289 852567067 /nfs/dbraw/zinc/56/70/67/852567067.db2.gz MZHWBRXUQNOFTK-CYBMUJFWSA-N -1 3 387.505 3.599 20 0 GHADHM O=S(=O)(Cc1noc(-c2ccccc2[O-])n1)c1cc(Cl)ccc1Cl ZINC000436997454 852587812 /nfs/dbraw/zinc/58/78/12/852587812.db2.gz MWGRLCHWDACVLQ-UHFFFAOYSA-N -1 3 385.228 3.723 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N(CCO)Cc1cc(Br)cs1 ZINC000507133246 852600635 /nfs/dbraw/zinc/60/06/35/852600635.db2.gz URYZGJSBFZXKIT-UHFFFAOYSA-N -1 3 390.686 3.504 20 0 GHADHM CCC(C)(C)OCc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436999099 852612139 /nfs/dbraw/zinc/61/21/39/852612139.db2.gz IWDUINLNLIGMHK-UHFFFAOYSA-N -1 3 399.491 3.649 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3c[n-]c4ccccc4c3=O)s2)cs1 ZINC000507156846 852623344 /nfs/dbraw/zinc/62/33/44/852623344.db2.gz VJJLJZYAOLOTDB-UHFFFAOYSA-N -1 3 395.509 3.994 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)s1 ZINC000506312045 852671867 /nfs/dbraw/zinc/67/18/67/852671867.db2.gz HVGBBZJYIYTFCS-PBHICJAKSA-N -1 3 387.553 3.821 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473853886 852686975 /nfs/dbraw/zinc/68/69/75/852686975.db2.gz FBMAWYWBESJEBJ-IERDGZPVSA-N -1 3 391.471 3.680 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427082833 852700080 /nfs/dbraw/zinc/70/00/80/852700080.db2.gz UTTAUOOYGWDMAF-UHFFFAOYSA-N -1 3 392.246 3.505 20 0 GHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427082833 852700086 /nfs/dbraw/zinc/70/00/86/852700086.db2.gz UTTAUOOYGWDMAF-UHFFFAOYSA-N -1 3 392.246 3.505 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000427084183 852701150 /nfs/dbraw/zinc/70/11/50/852701150.db2.gz IDPQESLSEMNTKI-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000427084183 852701153 /nfs/dbraw/zinc/70/11/53/852701153.db2.gz IDPQESLSEMNTKI-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000507290035 852763199 /nfs/dbraw/zinc/76/31/99/852763199.db2.gz OUSKPQZDDAZSJC-BBRMVZONSA-N -1 3 382.888 3.593 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2c(C)onc2-c2ccccc2)n[nH]1 ZINC000490147375 852769870 /nfs/dbraw/zinc/76/98/70/852769870.db2.gz AGUZCFRTOQOYJT-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(Cl)cc2Cl)CCCCC1 ZINC000427137124 852777829 /nfs/dbraw/zinc/77/78/29/852777829.db2.gz ORJHKPBIEHTQBG-UHFFFAOYSA-N -1 3 380.293 3.859 20 0 GHADHM O=C(Cn1c2ccccc2nc1C1CCCCC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473856911 852884225 /nfs/dbraw/zinc/88/42/25/852884225.db2.gz MPQSOUNDIVSMPK-LJQANCHMSA-N -1 3 393.491 3.719 20 0 GHADHM CCCOc1c(Cl)cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1OCC ZINC000473856493 852913784 /nfs/dbraw/zinc/91/37/84/852913784.db2.gz LIFVUPDGRJGFMK-OAHLLOKOSA-N -1 3 393.871 3.776 20 0 GHADHM CC1(C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H]1C1CC1 ZINC000427263434 852915198 /nfs/dbraw/zinc/91/51/98/852915198.db2.gz UBPCXJARXWZKSJ-MRXNPFEDSA-N -1 3 375.266 3.551 20 0 GHADHM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000437290227 852958678 /nfs/dbraw/zinc/95/86/78/852958678.db2.gz GUHIUNSFYDTUAD-UHFFFAOYSA-N -1 3 395.418 3.862 20 0 GHADHM O=C(CCCCc1ccc(Br)cc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473859042 852988113 /nfs/dbraw/zinc/98/81/13/852988113.db2.gz TYIZYKJCBSOBNO-INIZCTEOSA-N -1 3 392.297 3.797 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)cc3Br)nc21 ZINC000157770235 862419317 /nfs/dbraw/zinc/41/93/17/862419317.db2.gz WOYOCSHXIOWEPB-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)o1 ZINC000490517173 853067087 /nfs/dbraw/zinc/06/70/87/853067087.db2.gz OALVXOAMCOKVDN-UHFFFAOYSA-N -1 3 393.292 3.729 20 0 GHADHM CC(C)Oc1ccc(-c2nc(C(=O)[N-]c3nc4n(n3)CCCC4)cs2)cc1 ZINC000518325512 853210463 /nfs/dbraw/zinc/21/04/63/853210463.db2.gz DQAFETOXONUSGR-UHFFFAOYSA-N -1 3 383.477 3.777 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1cc(Cl)ccc1F ZINC000913302104 853225050 /nfs/dbraw/zinc/22/50/50/853225050.db2.gz NSAFNCVMUCSMFE-SECBINFHSA-N -1 3 377.759 3.646 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000913302104 853225055 /nfs/dbraw/zinc/22/50/55/853225055.db2.gz NSAFNCVMUCSMFE-SECBINFHSA-N -1 3 377.759 3.646 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000913302151 853225314 /nfs/dbraw/zinc/22/53/14/853225314.db2.gz PHXWWFFPCFUKSS-VXGBXAGGSA-N -1 3 387.823 3.746 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000913302151 853225321 /nfs/dbraw/zinc/22/53/21/853225321.db2.gz PHXWWFFPCFUKSS-VXGBXAGGSA-N -1 3 387.823 3.746 20 0 GHADHM CCc1ncc(Cl)c(C(=O)[N-]c2c(F)cc(Br)cc2F)n1 ZINC001126485459 853231410 /nfs/dbraw/zinc/23/14/10/853231410.db2.gz LOXXDXHZDZIXKF-UHFFFAOYSA-N -1 3 376.588 3.985 20 0 GHADHM CCC(CC)[C@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)OC ZINC000437618183 853344339 /nfs/dbraw/zinc/34/43/39/853344339.db2.gz CZIXKGDEWJSWLH-INIZCTEOSA-N -1 3 387.318 3.795 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)O1 ZINC000439159354 853348650 /nfs/dbraw/zinc/34/86/50/853348650.db2.gz ROUCWMOBABCADU-HZMBPMFUSA-N -1 3 396.260 3.686 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000506128569 853507365 /nfs/dbraw/zinc/50/73/65/853507365.db2.gz IBXFHIUZIKUMIH-UHFFFAOYSA-N -1 3 399.505 3.636 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000506128569 853507372 /nfs/dbraw/zinc/50/73/72/853507372.db2.gz IBXFHIUZIKUMIH-UHFFFAOYSA-N -1 3 399.505 3.636 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2c(C)cccc2C)cc1OC ZINC000054984476 853624560 /nfs/dbraw/zinc/62/45/60/853624560.db2.gz WSDAUVIYXKAWPX-UHFFFAOYSA-N -1 3 393.534 3.883 20 0 GHADHM Cc1nc(NC(=O)c2cccc3n[n-]nc32)sc1Cc1c(F)cccc1F ZINC000556049760 862493713 /nfs/dbraw/zinc/49/37/13/862493713.db2.gz RUPGDILPHSAFNS-UHFFFAOYSA-N -1 3 385.399 3.844 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000440937865 853770104 /nfs/dbraw/zinc/77/01/04/853770104.db2.gz HIWPCHRLFFUVOY-CQSZACIVSA-N -1 3 397.283 3.853 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1cccnc1C(F)(F)F ZINC000571352955 853830672 /nfs/dbraw/zinc/83/06/72/853830672.db2.gz PVNLDPIVEDURME-UHFFFAOYSA-N -1 3 384.301 3.598 20 0 GHADHM O=C([N-]NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1F ZINC000044774573 853836727 /nfs/dbraw/zinc/83/67/27/853836727.db2.gz MBZAYXFGEMKPTQ-ZIAGYGMSSA-N -1 3 395.459 3.946 20 0 GHADHM CCN(CCc1nccs1)[C@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000571572097 853930537 /nfs/dbraw/zinc/93/05/37/853930537.db2.gz ZRVKYTPVZGGWQH-AWEZNQCLSA-N -1 3 387.274 3.735 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)N2CCCC2)o1 ZINC000473903520 854215086 /nfs/dbraw/zinc/21/50/86/854215086.db2.gz PDMFETJBWCFULS-ZDUSSCGKSA-N -1 3 388.942 3.727 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000473937302 854366038 /nfs/dbraw/zinc/36/60/38/854366038.db2.gz CKEUQZMDDZOXSE-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000473937302 854366040 /nfs/dbraw/zinc/36/60/40/854366040.db2.gz CKEUQZMDDZOXSE-UHFFFAOYSA-N -1 3 396.863 3.820 20 0 GHADHM CCn1ccc(CN[C@@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000624000005 862574468 /nfs/dbraw/zinc/57/44/68/862574468.db2.gz LAYXIWXWPQDNNR-INIZCTEOSA-N -1 3 384.505 3.555 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000572454897 854529581 /nfs/dbraw/zinc/52/95/81/854529581.db2.gz JPENLCBYMXPNRV-ZDUSSCGKSA-N -1 3 392.337 3.609 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000588832069 854534091 /nfs/dbraw/zinc/53/40/91/854534091.db2.gz AGNMTHRFKSRYPF-UHFFFAOYSA-N -1 3 397.378 3.740 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000133504619 862576521 /nfs/dbraw/zinc/57/65/21/862576521.db2.gz DTWIGPZECYPIAK-RYUDHWBXSA-N -1 3 377.282 3.941 20 0 GHADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000133504439 862576716 /nfs/dbraw/zinc/57/67/16/862576716.db2.gz DTWIGPZECYPIAK-NEPJUHHUSA-N -1 3 377.282 3.941 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)c3ccc4ccccc4c3)nc2)n1 ZINC000068703889 854612847 /nfs/dbraw/zinc/61/28/47/854612847.db2.gz STWQRXGJSSATTA-HXUWFJFHSA-N -1 3 386.455 3.693 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C)C(F)(F)F ZINC000330699692 854717903 /nfs/dbraw/zinc/71/79/03/854717903.db2.gz GJQZSDAHMSGUFR-CQSZACIVSA-N -1 3 395.834 3.581 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186305992 854872442 /nfs/dbraw/zinc/87/24/42/854872442.db2.gz QJKLARWVXPYCEZ-SFHVURJKSA-N -1 3 389.377 3.565 20 0 GHADHM O=C([N-]c1cc(F)cc(Br)c1F)c1csc(-c2cnccn2)n1 ZINC000468218659 854969030 /nfs/dbraw/zinc/96/90/30/854969030.db2.gz BHCGAAOKGHHNJN-UHFFFAOYSA-N -1 3 397.204 3.893 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC(c2cccc3ccccc32)CC1 ZINC000589693213 855109684 /nfs/dbraw/zinc/10/96/84/855109684.db2.gz STJHZDZWWJSYTA-UHFFFAOYSA-N -1 3 388.467 3.681 20 0 GHADHM CCC(CC)(CNC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000589695144 855111693 /nfs/dbraw/zinc/11/16/93/855111693.db2.gz BKHJGPUJVGTTFC-UHFFFAOYSA-N -1 3 388.895 3.650 20 0 GHADHM CC(C)Cc1ccc([C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C2CC2)cc1 ZINC000589695774 855112582 /nfs/dbraw/zinc/11/25/82/855112582.db2.gz NFWBCLXYDDZPRY-QFIPXVFZSA-N -1 3 380.488 3.588 20 0 GHADHM O=S(=O)([N-]C[C@@H]1Cc2ccccc21)c1cc(Br)ccc1Cl ZINC000589889611 855176485 /nfs/dbraw/zinc/17/64/85/855176485.db2.gz QRHMNNKRXPVTOT-NSHDSACASA-N -1 3 386.698 3.721 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000589887859 855176665 /nfs/dbraw/zinc/17/66/65/855176665.db2.gz NJAKUYLXDJYOQC-SNVBAGLBSA-N -1 3 392.702 3.995 20 0 GHADHM CCOc1cc(C(=O)[N-]c2ncnc3c2c(C)c(C)n3-c2ccc(C)cc2)on1 ZINC001128067511 855221094 /nfs/dbraw/zinc/22/10/94/855221094.db2.gz XNJWTXXMSBPANX-UHFFFAOYSA-N -1 3 391.431 3.985 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000057122415 855226941 /nfs/dbraw/zinc/22/69/41/855226941.db2.gz HSQYMMPSESHZJW-UHFFFAOYSA-N -1 3 392.477 3.706 20 0 GHADHM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000057125404 855227510 /nfs/dbraw/zinc/22/75/10/855227510.db2.gz SACQVYMGYBVSBW-UHFFFAOYSA-N -1 3 392.477 3.725 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c(C(=O)OCC)[n-]1 ZINC001128073705 855229801 /nfs/dbraw/zinc/22/98/01/855229801.db2.gz IZIRSDKSGRTFIA-AWEZNQCLSA-N -1 3 399.491 3.824 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc21 ZINC000590079854 855259367 /nfs/dbraw/zinc/25/93/67/855259367.db2.gz BDNMLNHJTWVEQA-UHFFFAOYSA-N -1 3 376.416 3.825 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)[n-]1 ZINC000590341142 855368035 /nfs/dbraw/zinc/36/80/35/855368035.db2.gz BAYCWQHYMZLCFR-UHFFFAOYSA-N -1 3 392.843 3.599 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)c[n-]1 ZINC000590341142 855368040 /nfs/dbraw/zinc/36/80/40/855368040.db2.gz BAYCWQHYMZLCFR-UHFFFAOYSA-N -1 3 392.843 3.599 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C ZINC000590470669 855416184 /nfs/dbraw/zinc/41/61/84/855416184.db2.gz XVXNSHYBAYXFQM-UHFFFAOYSA-N -1 3 388.489 3.847 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107546321 855472839 /nfs/dbraw/zinc/47/28/39/855472839.db2.gz RTQDXAUFVJGIHB-QZTJIDSGSA-N -1 3 380.469 3.954 20 0 GHADHM Cc1csc([C@H](C)CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n1 ZINC000542714221 855526765 /nfs/dbraw/zinc/52/67/65/855526765.db2.gz SGBRQISVVZWHMU-LLVKDONJSA-N -1 3 383.477 3.848 20 0 GHADHM Cc1nc(-c2ccc(CCNC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)cs1 ZINC000057676774 855589631 /nfs/dbraw/zinc/58/96/31/855589631.db2.gz ZFPXBEYFUDOMIL-XDHOZWIPSA-N -1 3 389.480 3.562 20 0 GHADHM CCOc1cccc2cc([C@@H](C)N/C=C3/C(=O)[N-]C(=O)c4ccccc43)oc21 ZINC000057676220 855589669 /nfs/dbraw/zinc/58/96/69/855589669.db2.gz VNUZVPWACUZRHV-LVLBFHFTSA-N -1 3 376.412 3.793 20 0 GHADHM C[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)c(F)c1 ZINC000482098815 862702792 /nfs/dbraw/zinc/70/27/92/862702792.db2.gz FWRRURUQDUOIAZ-SECBINFHSA-N -1 3 395.207 3.680 20 0 GHADHM CC(C)(C)[C@@H]1CCCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000482111580 862715145 /nfs/dbraw/zinc/71/51/45/862715145.db2.gz DIKLVYMFSLBDBH-GFCCVEGCSA-N -1 3 379.302 3.809 20 0 GHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000152357335 855733702 /nfs/dbraw/zinc/73/37/02/855733702.db2.gz YKCQATMVIVAUJI-MRVPVSSYSA-N -1 3 394.337 3.512 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C4CCC4)C3)nc(=O)c2c1C ZINC000591061734 855761865 /nfs/dbraw/zinc/76/18/65/855761865.db2.gz GKCNERUVTPRQNF-JSGCOSHPSA-N -1 3 389.521 3.653 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]1c1ccsc1 ZINC000482132636 862719015 /nfs/dbraw/zinc/71/90/15/862719015.db2.gz QXZPWEYAEIBQSW-AWEZNQCLSA-N -1 3 391.294 3.949 20 0 GHADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000181035399 862727178 /nfs/dbraw/zinc/72/71/78/862727178.db2.gz PTYNWFDWUYLSDQ-HKUYNNGSSA-N -1 3 386.810 3.581 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H](F)C3)c2)cc1 ZINC000573117480 855850236 /nfs/dbraw/zinc/85/02/36/855850236.db2.gz HQLSRMJNZHOGAG-DOTOQJQBSA-N -1 3 390.480 3.725 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)C[C@H](C)C3)c2c1 ZINC000573093493 855860907 /nfs/dbraw/zinc/86/09/07/855860907.db2.gz LTWOMTRKFRFVOT-ZDUSSCGKSA-N -1 3 381.398 3.562 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000193477550 855907596 /nfs/dbraw/zinc/90/75/96/855907596.db2.gz JJIUUMIGLHEEGB-UHFFFAOYSA-N -1 3 381.476 3.680 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCCc2ccccc2)cc1Cl ZINC000591387610 855941804 /nfs/dbraw/zinc/94/18/04/855941804.db2.gz ZMIPUCIOYVUOMW-UHFFFAOYSA-N -1 3 398.887 3.739 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2ccnc(Cl)c2Cl)n[n-]1 ZINC000895105725 856047472 /nfs/dbraw/zinc/04/74/72/856047472.db2.gz ONLOECKTVSBEDP-LLVKDONJSA-N -1 3 386.283 3.560 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ccnc(Cl)c2Cl)[n-]1 ZINC000895105725 856047486 /nfs/dbraw/zinc/04/74/86/856047486.db2.gz ONLOECKTVSBEDP-LLVKDONJSA-N -1 3 386.283 3.560 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2ccnc(Cl)c2Cl)n1 ZINC000895105725 856047493 /nfs/dbraw/zinc/04/74/93/856047493.db2.gz ONLOECKTVSBEDP-LLVKDONJSA-N -1 3 386.283 3.560 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000485102668 856095503 /nfs/dbraw/zinc/09/55/03/856095503.db2.gz GRRZAOCIGYTOLU-UHFFFAOYSA-N -1 3 387.399 3.597 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(N2CCCC2=O)c1 ZINC000485102668 856095508 /nfs/dbraw/zinc/09/55/08/856095508.db2.gz GRRZAOCIGYTOLU-UHFFFAOYSA-N -1 3 387.399 3.597 20 0 GHADHM [O-]C(=NOCC(F)F)Nc1nc(Cc2ccccc2Br)cs1 ZINC000760047068 856097102 /nfs/dbraw/zinc/09/71/02/856097102.db2.gz WRKDOSXTMMFVHS-UHFFFAOYSA-N -1 3 392.225 3.815 20 0 GHADHM O=C([N-]OCC(F)F)Nc1nc(Cc2ccccc2Br)cs1 ZINC000760047068 856097112 /nfs/dbraw/zinc/09/71/12/856097112.db2.gz WRKDOSXTMMFVHS-UHFFFAOYSA-N -1 3 392.225 3.815 20 0 GHADHM O=C(CCc1ccc2c(c1)OCCO2)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485130187 856128561 /nfs/dbraw/zinc/12/85/61/856128561.db2.gz CAZZAOIWOARTOX-UHFFFAOYSA-N -1 3 390.399 3.560 20 0 GHADHM CC(C)c1csc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000045896828 856128618 /nfs/dbraw/zinc/12/86/18/856128618.db2.gz JZBKAZVOFZAREI-UHFFFAOYSA-N -1 3 399.513 3.735 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c1F ZINC000542863830 856204864 /nfs/dbraw/zinc/20/48/64/856204864.db2.gz ZHJRYGKDEZNOHK-LLVKDONJSA-N -1 3 383.395 3.918 20 0 GHADHM COCCC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000282507836 862768751 /nfs/dbraw/zinc/76/87/51/862768751.db2.gz YRSWZNUPMOKOBX-QGZVFWFLSA-N -1 3 396.484 3.786 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CC3)ccc2C)cc1 ZINC000032151076 856209167 /nfs/dbraw/zinc/20/91/67/856209167.db2.gz BRPAQFCZBNYHMC-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c([O-])c1 ZINC000032675727 856248909 /nfs/dbraw/zinc/24/89/09/856248909.db2.gz ACVANLKPALBZNC-OAHLLOKOSA-N -1 3 378.428 3.866 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(Cl)c1Br ZINC000485256705 856274165 /nfs/dbraw/zinc/27/41/65/856274165.db2.gz YIQBBYZEABLHJL-UHFFFAOYSA-N -1 3 398.570 3.561 20 0 GHADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1ccc(C(F)(F)F)nc1Cl ZINC001212435654 856288837 /nfs/dbraw/zinc/28/88/37/856288837.db2.gz PYRWPENEEFOLPT-UHFFFAOYSA-N -1 3 390.770 3.979 20 0 GHADHM Cc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c([O-])c1 ZINC000037137031 856297237 /nfs/dbraw/zinc/29/72/37/856297237.db2.gz SQBGCNHOHQIZEJ-UHFFFAOYSA-N -1 3 393.512 3.782 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)NC1(c2ccccc2)CCC1 ZINC000482188976 862787797 /nfs/dbraw/zinc/78/77/97/862787797.db2.gz UBLVBGGBFHRYCY-UHFFFAOYSA-N -1 3 385.265 3.720 20 0 GHADHM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000046017221 856383300 /nfs/dbraw/zinc/38/33/00/856383300.db2.gz PIKSKSYHFMSAMU-UHFFFAOYSA-N -1 3 381.819 3.561 20 0 GHADHM CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000485354719 856405733 /nfs/dbraw/zinc/40/57/33/856405733.db2.gz HRGITRGKMCXBAE-UHFFFAOYSA-N -1 3 398.271 3.560 20 0 GHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000281002073 862795901 /nfs/dbraw/zinc/79/59/01/862795901.db2.gz NOSNFYVPJDXFRC-UHFFFAOYSA-N -1 3 397.447 3.874 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482203241 862805086 /nfs/dbraw/zinc/80/50/86/862805086.db2.gz BJZITDBJUDIENS-UHFFFAOYSA-N -1 3 385.198 3.539 20 0 GHADHM Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1[O-] ZINC000195699438 856543466 /nfs/dbraw/zinc/54/34/66/856543466.db2.gz ABAIAYDOJHVXEG-UHFFFAOYSA-N -1 3 376.412 3.970 20 0 GHADHM Cc1noc(C[C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000905778885 856545933 /nfs/dbraw/zinc/54/59/33/856545933.db2.gz YGKJUSWRJWTAEN-HNNXBMFYSA-N -1 3 381.432 3.791 20 0 GHADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472250546 856552041 /nfs/dbraw/zinc/55/20/41/856552041.db2.gz VBRRIPMIVPHJFG-UHFFFAOYSA-N -1 3 378.428 3.898 20 0 GHADHM COCCN(Cc1cccs1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905849544 856658641 /nfs/dbraw/zinc/65/86/41/856658641.db2.gz FZMKYRHWSXUFPJ-UHFFFAOYSA-N -1 3 397.522 3.840 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccc(F)c(Br)c3)no1)OCO2 ZINC000436918252 856689704 /nfs/dbraw/zinc/68/97/04/856689704.db2.gz FRSWNUVPUWLGCL-UHFFFAOYSA-N -1 3 393.168 3.663 20 0 GHADHM Cc1cccnc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000427957269 856927806 /nfs/dbraw/zinc/92/78/06/856927806.db2.gz QCXFCLDVVWDIRU-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cncc([O-])c1 ZINC000111576422 856952824 /nfs/dbraw/zinc/95/28/24/856952824.db2.gz COBBXDIFLVUCMM-UHFFFAOYSA-N -1 3 382.439 3.801 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000508141872 856985979 /nfs/dbraw/zinc/98/59/79/856985979.db2.gz IBGVWGMDNFWPHN-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC4(CCC4)CC3)cs2)c1 ZINC000672254978 856997787 /nfs/dbraw/zinc/99/77/87/856997787.db2.gz GLEVDFLBMFVMRA-UHFFFAOYSA-N -1 3 399.516 3.745 20 0 GHADHM COCCOc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000906327488 857005331 /nfs/dbraw/zinc/00/53/31/857005331.db2.gz SJBMEVINXBGNHM-UHFFFAOYSA-N -1 3 393.465 3.768 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@@H]2CCCCO2)sc1Br ZINC000675152321 857039724 /nfs/dbraw/zinc/03/97/24/857039724.db2.gz YUIXDQMYRDPXMP-NSHDSACASA-N -1 3 396.372 3.693 20 0 GHADHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000675334867 857152672 /nfs/dbraw/zinc/15/26/72/857152672.db2.gz GVRLXYGJTHEULT-NEPJUHHUSA-N -1 3 386.926 3.557 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000906534033 857156664 /nfs/dbraw/zinc/15/66/64/857156664.db2.gz HACXZNCZWNRUGA-UHFFFAOYSA-N -1 3 394.496 3.984 20 0 GHADHM CC(C)CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000112628691 857166395 /nfs/dbraw/zinc/16/63/95/857166395.db2.gz ORVVWYPXTNTZRB-UHFFFAOYSA-N -1 3 377.282 3.941 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3cccc(Br)c3C)no2)c(=O)[n-]1 ZINC000485864615 857166626 /nfs/dbraw/zinc/16/66/26/857166626.db2.gz RNOSGIVWPDYKAO-UHFFFAOYSA-N -1 3 375.226 3.511 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)nc1 ZINC000057203343 857166814 /nfs/dbraw/zinc/16/68/14/857166814.db2.gz CIUXKBWLUBYVOK-KRWDZBQOSA-N -1 3 381.476 3.710 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(SC(=O)N(C)C)c1)c2=O ZINC000733364347 862892487 /nfs/dbraw/zinc/89/24/87/862892487.db2.gz KPDLQDVFHCGOKI-UHFFFAOYSA-N -1 3 397.456 3.563 20 0 GHADHM COc1sc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1Br ZINC000485985733 857302687 /nfs/dbraw/zinc/30/26/87/857302687.db2.gz ZHXHQVMFUKKAJD-IHWYPQMZSA-N -1 3 390.262 3.835 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOC[C@H]2c2ccccc2)s1 ZINC000906855932 857350687 /nfs/dbraw/zinc/35/06/87/857350687.db2.gz OPRRZHGYDVBTCH-AWEZNQCLSA-N -1 3 389.477 3.704 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2OC(F)F)C(F)(F)F)cn1 ZINC000509215709 862915270 /nfs/dbraw/zinc/91/52/70/862915270.db2.gz BOENOPQRQYSNNT-ZDUSSCGKSA-N -1 3 396.337 3.573 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCC3)c1C ZINC000593278248 857476511 /nfs/dbraw/zinc/47/65/11/857476511.db2.gz IEWFWTFHGGCJAM-UHFFFAOYSA-N -1 3 395.864 3.561 20 0 GHADHM Cc1cc2c(cc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)OCO2 ZINC000907278724 857553029 /nfs/dbraw/zinc/55/30/29/857553029.db2.gz ZMFMJOMWRHXUSW-UHFFFAOYSA-N -1 3 377.422 3.780 20 0 GHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccccc1 ZINC000482311409 862926364 /nfs/dbraw/zinc/92/63/64/862926364.db2.gz AQANBCFUELLSRC-UHFFFAOYSA-N -1 3 393.281 3.812 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000907339127 857583740 /nfs/dbraw/zinc/58/37/40/857583740.db2.gz HGLRQXYTSMMSCU-NSHDSACASA-N -1 3 394.294 3.861 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]2CCCC[C@H]21 ZINC000542991370 857586112 /nfs/dbraw/zinc/58/61/12/857586112.db2.gz BJTVJQXIDCXMMW-BTJLNZGRSA-N -1 3 389.293 3.941 20 0 GHADHM O=C([N-]c1cnnc(Cl)c1)c1cc(-c2ccc(Br)cc2)no1 ZINC001129134482 857682893 /nfs/dbraw/zinc/68/28/93/857682893.db2.gz BKRJFORDFHDCOH-UHFFFAOYSA-N -1 3 379.601 3.800 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c(C)c1 ZINC000486558173 857858393 /nfs/dbraw/zinc/85/83/93/857858393.db2.gz PQQJVYWQZQSHKO-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccc(F)cc1 ZINC000543021128 857906072 /nfs/dbraw/zinc/90/60/72/857906072.db2.gz IINFWBKUTPWWPV-UHFFFAOYSA-N -1 3 394.410 3.903 20 0 GHADHM COCC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000908076322 857919585 /nfs/dbraw/zinc/91/95/85/857919585.db2.gz QEUBEXCZQBNYKF-HNNXBMFYSA-N -1 3 396.274 3.874 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)s1 ZINC000486678741 857987263 /nfs/dbraw/zinc/98/72/63/857987263.db2.gz SGOPTYBNLZOSBD-UMVBOHGHSA-N -1 3 398.347 3.683 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486696069 857991815 /nfs/dbraw/zinc/99/18/15/857991815.db2.gz BQXALQBPYUIMFT-NVXWUHKLSA-N -1 3 391.464 3.617 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)ccc1Cl ZINC000486730719 858034841 /nfs/dbraw/zinc/03/48/41/858034841.db2.gz DGDKEFBEZXYAMX-UHFFFAOYSA-N -1 3 391.761 3.670 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccncc2)cc1)c1cnccc1C(F)(F)F ZINC000442758246 858098686 /nfs/dbraw/zinc/09/86/86/858098686.db2.gz ZGTHYWYZALONOQ-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1cnccc1C(F)(F)F ZINC000442809486 858152568 /nfs/dbraw/zinc/15/25/68/858152568.db2.gz KLSDAEFABIDGNI-ZDUSSCGKSA-N -1 3 376.787 3.720 20 0 GHADHM CC(C)CCN(CCC(C)C)C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000521624951 858193371 /nfs/dbraw/zinc/19/33/71/858193371.db2.gz ODURTVNMSOZWDT-RTWAWAEBSA-N -1 3 388.552 3.707 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC000646199174 858198124 /nfs/dbraw/zinc/19/81/24/858198124.db2.gz QMGSPTVFNDUEGT-CVEARBPZSA-N -1 3 383.492 3.625 20 0 GHADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)cc1 ZINC000128652728 862995710 /nfs/dbraw/zinc/99/57/10/862995710.db2.gz NOQZOPQXAYAOSZ-LJQANCHMSA-N -1 3 387.443 3.571 20 0 GHADHM CC(C)(C)OC(=O)c1cncc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)c1 ZINC000594582388 858229275 /nfs/dbraw/zinc/22/92/75/858229275.db2.gz RMXNVVCVYUUFPB-UHFFFAOYSA-N -1 3 398.431 3.916 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1F ZINC000521691827 858235886 /nfs/dbraw/zinc/23/58/86/858235886.db2.gz XWBLYFQPDIUENS-TZMCWYRMSA-N -1 3 388.233 3.562 20 0 GHADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000521689066 858247748 /nfs/dbraw/zinc/24/77/48/858247748.db2.gz HARBXHZGUKCIAW-ONGXEEELSA-N -1 3 387.324 3.507 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000442946323 858261715 /nfs/dbraw/zinc/26/17/15/858261715.db2.gz RWIYODDVDQCUCV-HNNXBMFYSA-N -1 3 377.359 3.725 20 0 GHADHM O=S(=O)(Cc1nc2ccccc2s1)c1nc(CCC2CCCC2)n[n-]1 ZINC000521734489 858265794 /nfs/dbraw/zinc/26/57/94/858265794.db2.gz FRBMBBTVZJKUJB-UHFFFAOYSA-N -1 3 376.507 3.511 20 0 GHADHM O=S(=O)(Cc1nc2ccccc2s1)c1nnc(CCC2CCCC2)[n-]1 ZINC000521734489 858265802 /nfs/dbraw/zinc/26/58/02/858265802.db2.gz FRBMBBTVZJKUJB-UHFFFAOYSA-N -1 3 376.507 3.511 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc(Cl)c1[O-] ZINC000443058843 858329236 /nfs/dbraw/zinc/32/92/36/858329236.db2.gz AVTZPLVKGVJYAF-OAHLLOKOSA-N -1 3 398.850 3.817 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cccc2ccccc21 ZINC000443113967 858380122 /nfs/dbraw/zinc/38/01/22/858380122.db2.gz ZXTRYINUVJCTRQ-ZDUSSCGKSA-N -1 3 387.432 3.805 20 0 GHADHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)no1 ZINC000443155272 858428136 /nfs/dbraw/zinc/42/81/36/858428136.db2.gz ICYDUHQXMNKCIV-UHFFFAOYSA-N -1 3 397.806 3.518 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000067149817 858453419 /nfs/dbraw/zinc/45/34/19/858453419.db2.gz GLQWIWSOINJOGF-UHFFFAOYSA-N -1 3 394.460 3.530 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000522012743 858525324 /nfs/dbraw/zinc/52/53/24/858525324.db2.gz UWGYGJASJWBPSX-LLVKDONJSA-N -1 3 388.880 3.905 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc(F)cc2n[n-]nc21 ZINC000575116138 858569819 /nfs/dbraw/zinc/56/98/19/858569819.db2.gz PQXRWNPDJGDNDE-LBPRGKRZSA-N -1 3 390.802 3.561 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000443375108 858615454 /nfs/dbraw/zinc/61/54/54/858615454.db2.gz NGXPRZKTQKSXLK-KBPBESRZSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1ncc(CNC(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)c(=O)[n-]1 ZINC000543167900 858723985 /nfs/dbraw/zinc/72/39/85/858723985.db2.gz ZCBRUWPQPWLKDL-UHFFFAOYSA-N -1 3 395.290 3.719 20 0 GHADHM CCCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000901723609 858794346 /nfs/dbraw/zinc/79/43/46/858794346.db2.gz ZUTJXRKWHNSIMO-NRFANRHFSA-N -1 3 394.515 3.831 20 0 GHADHM Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000443488142 858820923 /nfs/dbraw/zinc/82/09/23/858820923.db2.gz LKGBGBMEYPTZRF-UHFFFAOYSA-N -1 3 390.686 3.595 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C2CCC2)c1 ZINC000522230297 858857709 /nfs/dbraw/zinc/85/77/09/858857709.db2.gz MBTYNWBXLJIKIN-UHFFFAOYSA-N -1 3 378.472 3.694 20 0 GHADHM CCN1CC[C@@H](SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1=O ZINC000596325862 858859043 /nfs/dbraw/zinc/85/90/43/858859043.db2.gz OMXFBPUNNGYXSM-GFCCVEGCSA-N -1 3 375.475 3.511 20 0 GHADHM Cc1sc(CCNCc2ccc(Cl)cc2Br)nc1C(=O)[O-] ZINC000900060093 858861044 /nfs/dbraw/zinc/86/10/44/858861044.db2.gz ZTSDTXYMFUIIDC-UHFFFAOYSA-N -1 3 389.702 3.898 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)CF)ccc2C)c(C)c1 ZINC000673390156 858885119 /nfs/dbraw/zinc/88/51/19/858885119.db2.gz AXMCAOXPKBHVIU-MRXNPFEDSA-N -1 3 392.496 3.809 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)CCOc2ccccc2C(C)(C)C)c(=O)[n-]1 ZINC000482831324 858892492 /nfs/dbraw/zinc/89/24/92/858892492.db2.gz NEKPPYIFTRVMOH-UHFFFAOYSA-N -1 3 385.508 3.567 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cccnc1-n1cccn1 ZINC000194563250 859038363 /nfs/dbraw/zinc/03/83/63/859038363.db2.gz TUWFTQBOXKOXCV-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3cc(F)ccc3F)[n-]c(=O)c21 ZINC000428284872 859038962 /nfs/dbraw/zinc/03/89/62/859038962.db2.gz GJPJYZKBZZKXTH-VIFPVBQESA-N -1 3 391.399 3.957 20 0 GHADHM CC(C)Oc1ncccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000483028015 859087259 /nfs/dbraw/zinc/08/72/59/859087259.db2.gz LBCPIADDMCWRCY-UHFFFAOYSA-N -1 3 380.242 3.659 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000738382473 859131523 /nfs/dbraw/zinc/13/15/23/859131523.db2.gz KTYNEWJTIFHWBZ-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000738382473 859131527 /nfs/dbraw/zinc/13/15/27/859131527.db2.gz KTYNEWJTIFHWBZ-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCO[C@@H](C)c3ccccc3)nc2)n1 ZINC000068661022 859136823 /nfs/dbraw/zinc/13/68/23/859136823.db2.gz MQSMANKYIWONPX-INIZCTEOSA-N -1 3 378.476 3.974 20 0 GHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(Br)c2C)cc1 ZINC000187120412 859136817 /nfs/dbraw/zinc/13/68/17/859136817.db2.gz IQELSJCKZUPPCP-LBPRGKRZSA-N -1 3 393.262 3.789 20 0 GHADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000483104626 859141703 /nfs/dbraw/zinc/14/17/03/859141703.db2.gz IONGPOWRVFWCRA-UHFFFAOYSA-N -1 3 388.420 3.753 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568187058 859160608 /nfs/dbraw/zinc/16/06/08/859160608.db2.gz ULRHMMBBZGZWAI-SNVBAGLBSA-N -1 3 376.254 3.655 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c(C)c1 ZINC000466342245 859165950 /nfs/dbraw/zinc/16/59/50/859165950.db2.gz COOKELWSNVSWFZ-UHFFFAOYSA-N -1 3 389.452 3.828 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000466708838 859228018 /nfs/dbraw/zinc/22/80/18/859228018.db2.gz VEQONNASNMILTL-HIFRSBDPSA-N -1 3 393.915 3.842 20 0 GHADHM O=C(NCCc1csc2ccccc12)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000194142648 859238492 /nfs/dbraw/zinc/23/84/92/859238492.db2.gz NNUMXZPLTPTFSQ-SFHVURJKSA-N -1 3 394.496 3.570 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000738409081 859248701 /nfs/dbraw/zinc/24/87/01/859248701.db2.gz PTZQJKIJUVRKFF-DZGCQCFKSA-N -1 3 376.917 3.775 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000738409081 859248716 /nfs/dbraw/zinc/24/87/16/859248716.db2.gz PTZQJKIJUVRKFF-DZGCQCFKSA-N -1 3 376.917 3.775 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(Br)ccc2Br)n1 ZINC000483333462 859290056 /nfs/dbraw/zinc/29/00/56/859290056.db2.gz BSZGWTFSPLKNNX-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000033795218 859302699 /nfs/dbraw/zinc/30/26/99/859302699.db2.gz WASCHSSQKCIQFK-OAHLLOKOSA-N -1 3 385.316 3.546 20 0 GHADHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000509395680 859304789 /nfs/dbraw/zinc/30/47/89/859304789.db2.gz DKIJNPFEJPYCQI-UHFFFAOYSA-N -1 3 387.379 3.592 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc2cccc(Br)c21 ZINC000509400211 859324231 /nfs/dbraw/zinc/32/42/31/859324231.db2.gz AVZAYJGPBRYVKN-HNNXBMFYSA-N -1 3 386.249 3.851 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1F ZINC000069093667 859338733 /nfs/dbraw/zinc/33/87/33/859338733.db2.gz XQEGQHXFNYPHOE-GOSISDBHSA-N -1 3 376.840 3.942 20 0 GHADHM COc1cc2[n-]cc(C(=O)NCC3(CC(C)C)CCCC3)c(=O)c2c(OC)c1 ZINC000626056955 859425248 /nfs/dbraw/zinc/42/52/48/859425248.db2.gz WHSWMIHJZDCVAO-UHFFFAOYSA-N -1 3 386.492 3.882 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483540932 859437161 /nfs/dbraw/zinc/43/71/61/859437161.db2.gz IJLRVZJCUPLWOS-AWEZNQCLSA-N -1 3 397.401 3.659 20 0 GHADHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1CCC(C)C ZINC000162860627 859443163 /nfs/dbraw/zinc/44/31/63/859443163.db2.gz NSYDMZHPKAHAKX-UHFFFAOYSA-N -1 3 380.286 3.636 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000134645884 859492517 /nfs/dbraw/zinc/49/25/17/859492517.db2.gz PNSGNULDLATFHN-LBPRGKRZSA-N -1 3 381.391 3.615 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4)n3)n[n-]2)o1 ZINC000483626020 859497221 /nfs/dbraw/zinc/49/72/21/859497221.db2.gz VYDXCOROMLOBBC-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1OCCC ZINC000069446639 859516925 /nfs/dbraw/zinc/51/69/25/859516925.db2.gz XZGFHMRKAAVCBG-UHFFFAOYSA-N -1 3 391.489 4.000 20 0 GHADHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000143514354 859597749 /nfs/dbraw/zinc/59/77/49/859597749.db2.gz IKIJXHMCBZWHSI-UHFFFAOYSA-N -1 3 378.469 3.717 20 0 GHADHM O=S(=O)([N-]CCc1cc(F)ccc1F)c1ccc(F)cc1C(F)(F)F ZINC000474208487 859610239 /nfs/dbraw/zinc/61/02/39/859610239.db2.gz NLBDRQJIPNFWMB-UHFFFAOYSA-N -1 3 383.313 3.644 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)OCC1CC1 ZINC001212184309 859614542 /nfs/dbraw/zinc/61/45/42/859614542.db2.gz DRZMURSOOFULQG-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CC(C)[C@H](CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673502270 859621789 /nfs/dbraw/zinc/62/17/89/859621789.db2.gz AYJYCIJZPHSNSJ-BQFCYCMXSA-N -1 3 383.492 3.696 20 0 GHADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543414869 859629647 /nfs/dbraw/zinc/62/96/47/859629647.db2.gz CLNPDDXLJFETQF-MRVPVSSYSA-N -1 3 392.212 3.988 20 0 GHADHM CC(C)Sc1ccccc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507116 859634848 /nfs/dbraw/zinc/63/48/48/859634848.db2.gz JGPQPEFKQJRGOV-KGLIPLIRSA-N -1 3 387.505 3.681 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Oc4nccs4)c3)nc21 ZINC000611213930 859647325 /nfs/dbraw/zinc/64/73/25/859647325.db2.gz DERSRPKWRGKGHB-UHFFFAOYSA-N -1 3 394.412 3.851 20 0 GHADHM CSc1ccccc1CC(=O)Nc1cc(I)ccc1[O-] ZINC000611479372 859776487 /nfs/dbraw/zinc/77/64/87/859776487.db2.gz UCEMRGBUZBBLON-UHFFFAOYSA-N -1 3 399.253 3.900 20 0 GHADHM CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000052799833 859776805 /nfs/dbraw/zinc/77/68/05/859776805.db2.gz ALZGWYJXSSOZEQ-WOJBJXKFSA-N -1 3 380.488 3.553 20 0 GHADHM COc1ccc([C@H]2CCCN2C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000484256101 859902861 /nfs/dbraw/zinc/90/28/61/859902861.db2.gz KTQLWAJKHKDKBX-GOSISDBHSA-N -1 3 384.382 3.792 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H](NCc2cc3c(c(Br)c2)OCO3)c2ccccc21 ZINC000417619950 859909079 /nfs/dbraw/zinc/90/90/79/859909079.db2.gz KVXPMZYWAYTZPQ-UKRRQHHQSA-N -1 3 390.233 3.581 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCO[C@H](c4ccccc4)C3)nc2)n1 ZINC000597941625 859945728 /nfs/dbraw/zinc/94/57/28/859945728.db2.gz AXTOVORKCZOJSB-IBGZPJMESA-N -1 3 376.460 3.775 20 0 GHADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)s1 ZINC000096742860 859955696 /nfs/dbraw/zinc/95/56/96/859955696.db2.gz HMZRRPDQGJFCCX-QMMMGPOBSA-N -1 3 380.354 3.790 20 0 GHADHM O=C(NCCc1cccc(OCC(F)(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000474383119 859972367 /nfs/dbraw/zinc/97/23/67/859972367.db2.gz HKTZRORUNDPIAT-UHFFFAOYSA-N -1 3 386.345 3.514 20 0 GHADHM COc1cccc(CSC[C@H](NCc2cc(C)cnc2Cl)C(=O)[O-])c1 ZINC000904003541 860036584 /nfs/dbraw/zinc/03/65/84/860036584.db2.gz JDYWDYWDAITREK-INIZCTEOSA-N -1 3 380.897 3.528 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc2c(cc1[O-])OCO2 ZINC000436552000 860051967 /nfs/dbraw/zinc/05/19/67/860051967.db2.gz SSMDFYYPKNIKIU-GFCCVEGCSA-N -1 3 391.807 3.584 20 0 GHADHM COc1cc(Br)c(CN[C@@H](CCCC(C)C)C(=O)[O-])c(OC)c1 ZINC000904036416 860054794 /nfs/dbraw/zinc/05/47/94/860054794.db2.gz MAUPMEAEKKXTMV-HNNXBMFYSA-N -1 3 388.302 3.835 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436558042 860077803 /nfs/dbraw/zinc/07/78/03/860077803.db2.gz ZQUFWGHZHAXNCN-UHFFFAOYSA-N -1 3 387.457 3.785 20 0 GHADHM Cc1cc(Br)c(CNC2CC(CC(=O)[O-])C2)cc1Br ZINC000904062052 860083349 /nfs/dbraw/zinc/08/33/49/860083349.db2.gz AGXIZGUJWANWOQ-UHFFFAOYSA-N -1 3 391.103 3.863 20 0 GHADHM O=C([O-])C[C@@H](Cc1cc(F)c(F)cc1F)NCc1nc2c(s1)CCCC2 ZINC000904062601 860084014 /nfs/dbraw/zinc/08/40/14/860084014.db2.gz OMOSGGRSTVCVJZ-LLVKDONJSA-N -1 3 384.423 3.615 20 0 GHADHM CCCn1nccc1CN[C@@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072397 860098104 /nfs/dbraw/zinc/09/81/04/860098104.db2.gz HCCQNYMAXJGSNH-INIZCTEOSA-N -1 3 380.286 3.751 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000526928228 860163398 /nfs/dbraw/zinc/16/33/98/860163398.db2.gz OITLHRYCTODWAU-SFHVURJKSA-N -1 3 380.831 3.734 20 0 GHADHM O=C(N[C@H](CO)c1cccc(Br)c1)c1cc([O-])c2ccccc2c1 ZINC000527461017 860180416 /nfs/dbraw/zinc/18/04/16/860180416.db2.gz JCZPENRJTQESRZ-QGZVFWFLSA-N -1 3 386.245 3.771 20 0 GHADHM O=S(=O)([N-][C@H]1COc2ccccc21)c1cc(Br)ccc1Cl ZINC000727682668 860180565 /nfs/dbraw/zinc/18/05/65/860180565.db2.gz XUXIGBDTGMZTHZ-LBPRGKRZSA-N -1 3 388.670 3.515 20 0 GHADHM CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1(CC)CC ZINC000904194688 860222586 /nfs/dbraw/zinc/22/25/86/860222586.db2.gz CYZKLRFAQYNHNQ-MOPGFXCFSA-N -1 3 392.540 3.996 20 0 GHADHM CC[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1cccc(F)c1 ZINC000904219886 860241538 /nfs/dbraw/zinc/24/15/38/860241538.db2.gz GBWNONUJKWHMKO-QGZVFWFLSA-N -1 3 390.455 3.667 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602754202 860258595 /nfs/dbraw/zinc/25/85/95/860258595.db2.gz PHRXGLLYQZIURP-RYUDHWBXSA-N -1 3 377.282 3.847 20 0 GHADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000494306487 881521167 /nfs/dbraw/zinc/52/11/67/881521167.db2.gz CMCPMLWYUCOLGZ-ZETCQYMHSA-N -1 3 380.251 3.910 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000727835558 860286187 /nfs/dbraw/zinc/28/61/87/860286187.db2.gz SWMDBAFWEFKJRS-SIKDUDHDSA-N -1 3 398.488 3.727 20 0 GHADHM COCCN(CCC(=O)[O-])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000904269590 860287536 /nfs/dbraw/zinc/28/75/36/860287536.db2.gz LVHUVKRWRDBXEA-UHFFFAOYSA-N -1 3 390.867 3.515 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006436349 860395544 /nfs/dbraw/zinc/39/55/44/860395544.db2.gz OKJTVNHTAQGDGH-KSSFIOAISA-N -1 3 390.480 3.935 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccc3ccccc3n2)n1)c1c(Cl)nc2ccccn21 ZINC000728153516 860405050 /nfs/dbraw/zinc/40/50/50/860405050.db2.gz BUBWNWBBPBBZPJ-UHFFFAOYSA-N -1 3 389.806 3.573 20 0 GHADHM COc1ccc2ccc(OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2c1 ZINC000060952494 860412319 /nfs/dbraw/zinc/41/23/19/860412319.db2.gz VWDJIJGFDFCMMT-UHFFFAOYSA-N -1 3 376.412 3.563 20 0 GHADHM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000466972968 860634768 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CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1Cc2ccccc2C1 ZINC000444039028 863197187 /nfs/dbraw/zinc/19/71/87/863197187.db2.gz XRRLKOVROHOAOF-UHFFFAOYSA-N -1 3 397.272 3.530 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3cc(C)cc(Br)c3)ccc2n1 ZINC000444048968 863206682 /nfs/dbraw/zinc/20/66/82/863206682.db2.gz DACVVGNUAOFNJE-UHFFFAOYSA-N -1 3 380.267 3.514 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1[O-] ZINC000120625263 881643805 /nfs/dbraw/zinc/64/38/05/881643805.db2.gz DDFNMUCVIGWUPV-KRWDZBQOSA-N -1 3 377.387 3.770 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCCCOc1ccc2c(c1)OCO2 ZINC000733894923 863322368 /nfs/dbraw/zinc/32/23/68/863322368.db2.gz KLAOLOWJCIFRLK-UHFFFAOYSA-N -1 3 379.412 3.628 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482593879 863358587 /nfs/dbraw/zinc/35/85/87/863358587.db2.gz SILKBGARUSQBHK-BBRMVZONSA-N -1 3 399.329 3.795 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(Oc3c(OC)cccc3OC)CC2)c1 ZINC000522811387 863418518 /nfs/dbraw/zinc/41/85/18/863418518.db2.gz 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O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@H]1Cc1ccccc1 ZINC000444281850 863801414 /nfs/dbraw/zinc/80/14/14/863801414.db2.gz MURUWIDFQWPFKN-HNNXBMFYSA-N -1 3 397.272 3.748 20 0 GHADHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000532297165 881706564 /nfs/dbraw/zinc/70/65/64/881706564.db2.gz DZEZPEADTMAZOR-UHFFFAOYSA-N -1 3 379.400 3.585 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000621327849 864084707 /nfs/dbraw/zinc/08/47/07/864084707.db2.gz KODZNILSIHCTHY-UHFFFAOYSA-N -1 3 379.787 3.846 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccccc2Cl)cc1OC ZINC000607168994 864130972 /nfs/dbraw/zinc/13/09/72/864130972.db2.gz UBDCNNVNKVGAFP-UHFFFAOYSA-N -1 3 383.857 3.754 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000475119611 864223632 /nfs/dbraw/zinc/22/36/32/864223632.db2.gz NNBSKSBPIUBYAZ-UHFFFAOYSA-N -1 3 396.275 3.585 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000475119611 864223637 /nfs/dbraw/zinc/22/36/37/864223637.db2.gz NNBSKSBPIUBYAZ-UHFFFAOYSA-N -1 3 396.275 3.585 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1 ZINC000621530603 864229269 /nfs/dbraw/zinc/22/92/69/864229269.db2.gz YIMJVNCHIVUZER-UHFFFAOYSA-N -1 3 393.443 3.508 20 0 GHADHM Cc1c(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)oc2ccccc12 ZINC000734498872 864255233 /nfs/dbraw/zinc/25/52/33/864255233.db2.gz ZBFLFFBWRBJMSX-UHFFFAOYSA-N -1 3 381.866 3.582 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cc(C)nc3onc(C(C)C)c32)[nH][n-]1 ZINC000621654977 864351936 /nfs/dbraw/zinc/35/19/36/864351936.db2.gz ZABLZAXYGKNGNT-UHFFFAOYSA-N -1 3 391.431 3.728 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2ccc(Oc3ccccc3)nc2)[nH][n-]1 ZINC000621654974 864352211 /nfs/dbraw/zinc/35/22/11/864352211.db2.gz YVTDWFGDBFDRIJ-UHFFFAOYSA-N -1 3 386.411 3.947 20 0 GHADHM CC[C@H]1CCC[C@@H](OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)C1 ZINC000734720409 864404927 /nfs/dbraw/zinc/40/49/27/864404927.db2.gz RALFWEYFZFNRAF-MAUKXSAKSA-N -1 3 383.510 3.728 20 0 GHADHM COc1ccccc1N1CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621794321 864431841 /nfs/dbraw/zinc/43/18/41/864431841.db2.gz QWZFYVHAVKNJIE-UHFFFAOYSA-N -1 3 394.393 3.818 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000554524987 864504227 /nfs/dbraw/zinc/50/42/27/864504227.db2.gz CRTQRGSZHQLLSC-UHFFFAOYSA-N -1 3 391.475 3.597 20 0 GHADHM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621880538 864525583 /nfs/dbraw/zinc/52/55/83/864525583.db2.gz JJWWJMATIMWJLB-KRWDZBQOSA-N -1 3 392.377 3.505 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)cc1Cl ZINC000104733775 864606173 /nfs/dbraw/zinc/60/61/73/864606173.db2.gz BIXVQSUIBZEHCU-SFHVURJKSA-N -1 3 396.871 3.867 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000621941688 864608604 /nfs/dbraw/zinc/60/86/04/864608604.db2.gz XWAOPYIIBCCQCA-DIFFPNOSSA-N -1 3 383.366 3.926 20 0 GHADHM O=C(C[C@@H]1CCC2(CCOCC2)CO1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000897145579 864651867 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GHADHM O=C([O-])c1cccc(Br)c1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805289 864846363 /nfs/dbraw/zinc/84/63/63/864846363.db2.gz PJCJFMJLFWKEDK-HDICACEKSA-N -1 3 380.282 3.540 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000480577391 864900149 /nfs/dbraw/zinc/90/01/49/864900149.db2.gz HBOUUIUCMUAGDW-UHFFFAOYSA-N -1 3 384.749 3.589 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000735651095 864903298 /nfs/dbraw/zinc/90/32/98/864903298.db2.gz HKQLCPXDRSXTEH-SFHVURJKSA-N -1 3 387.443 3.590 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)s1 ZINC000608023532 864926601 /nfs/dbraw/zinc/92/66/01/864926601.db2.gz NJKBGZOPJJPWOH-CYBMUJFWSA-N -1 3 390.299 3.924 20 0 GHADHM CCc1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000622377118 864972952 /nfs/dbraw/zinc/97/29/52/864972952.db2.gz CTACLVACLCEMGN-AWEZNQCLSA-N -1 3 376.403 3.565 20 0 GHADHM O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000554824958 864988834 /nfs/dbraw/zinc/98/88/34/864988834.db2.gz VGVQVRZGYJAUGY-UHFFFAOYSA-N -1 3 389.333 3.671 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735877327 865019844 /nfs/dbraw/zinc/01/98/44/865019844.db2.gz AJLKFUKQIUSHSW-UHFFFAOYSA-N -1 3 383.517 3.753 20 0 GHADHM CC(C)(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1csc(-c2cccs2)n1 ZINC000827654574 865057997 /nfs/dbraw/zinc/05/79/97/865057997.db2.gz SVGUZPUCZDJSOV-NSHDSACASA-N -1 3 388.518 3.594 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)ccc1OC(C)C ZINC000171268350 865196220 /nfs/dbraw/zinc/19/62/20/865196220.db2.gz ZEIVSFKENLXYMV-UHFFFAOYSA-N -1 3 388.489 3.858 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](c3c(F)cccc3F)N(C)C)nc2)n1 ZINC000301299863 865269647 /nfs/dbraw/zinc/26/96/47/865269647.db2.gz QMFIAUPSZSPFRS-QGZVFWFLSA-N -1 3 399.445 3.800 20 0 GHADHM Cc1cccc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000736781248 865280540 /nfs/dbraw/zinc/28/05/40/865280540.db2.gz SCPNKTWLIGHOIM-NRFANRHFSA-N -1 3 390.439 3.700 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cccc(F)c3Cl)[n-]c(=O)c21 ZINC000555015528 865348187 /nfs/dbraw/zinc/34/81/87/865348187.db2.gz ZIVHZLSFMAHYQC-UHFFFAOYSA-N -1 3 393.827 3.910 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000480832048 865373864 /nfs/dbraw/zinc/37/38/64/865373864.db2.gz JWTWTEKYTVKLSN-XJKSGUPXSA-N -1 3 389.293 3.720 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000480866939 865413849 /nfs/dbraw/zinc/41/38/49/865413849.db2.gz FZOKALSOYSFPKA-INIZCTEOSA-N -1 3 375.421 3.942 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H](c1ccccc1)C1CCCC1 ZINC000738101238 865487122 /nfs/dbraw/zinc/48/71/22/865487122.db2.gz UXZRCQHHJRGHTJ-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H](c1ccccc1)C1CCCC1 ZINC000738101238 865487128 /nfs/dbraw/zinc/48/71/28/865487128.db2.gz UXZRCQHHJRGHTJ-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1cnc(Cl)c(Cl)c1 ZINC000738381540 865535260 /nfs/dbraw/zinc/53/52/60/865535260.db2.gz RALSTJQIDJOYDP-UFBFGSQYSA-N -1 3 379.215 3.501 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(F)cc1)c1cccnc1Cl ZINC000738353468 865545689 /nfs/dbraw/zinc/54/56/89/865545689.db2.gz JJMVJYHFIRFITL-QGZVFWFLSA-N -1 3 376.840 3.942 20 0 GHADHM O=S(=O)([N-]Cc1cccc(COc2ccccc2)c1)c1cccnc1Cl ZINC000738360392 865546733 /nfs/dbraw/zinc/54/67/33/865546733.db2.gz HPVQMKLMGGMYEM-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM CN(c1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CCCC1 ZINC000480987028 865640469 /nfs/dbraw/zinc/64/04/69/865640469.db2.gz GVTLJEIAKWRSDY-UHFFFAOYSA-N -1 3 382.390 3.524 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cn(C)nc3-c3ccccc3)nc2)n1 ZINC000302199229 865762509 /nfs/dbraw/zinc/76/25/09/865762509.db2.gz UMCMVEFUUHNHBE-UHFFFAOYSA-N -1 3 386.459 3.819 20 0 GHADHM CCOC(=O)C(=Cc1cnc(F)c(C)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000899341662 865790256 /nfs/dbraw/zinc/79/02/56/865790256.db2.gz GOZYEAKCNZQIEV-NTUHNPAUSA-N -1 3 387.436 3.960 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(F)c(F)cc1F ZINC000121073418 881906686 /nfs/dbraw/zinc/90/66/86/881906686.db2.gz HUIVMNXPQXJXLV-UHFFFAOYSA-N -1 3 397.154 3.904 20 0 GHADHM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000533986471 865862114 /nfs/dbraw/zinc/86/21/14/865862114.db2.gz PRVZDXLRCICLPW-SNVBAGLBSA-N -1 3 382.844 3.884 20 0 GHADHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000555321870 865920709 /nfs/dbraw/zinc/92/07/09/865920709.db2.gz MZTVQVHPKCFXRR-CABCVRRESA-N -1 3 399.557 3.693 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000174905539 865954385 /nfs/dbraw/zinc/95/43/85/865954385.db2.gz LYDHONKBBYDRDM-UHFFFAOYSA-N -1 3 385.416 3.758 20 0 GHADHM O=S(=O)([N-]Nc1c(F)cccc1Cl)c1cc(C(F)(F)F)ccc1F ZINC000185346768 866006380 /nfs/dbraw/zinc/00/63/80/866006380.db2.gz MXEPVUZXWNHPLJ-UHFFFAOYSA-N -1 3 386.729 3.942 20 0 GHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000740896134 866086507 /nfs/dbraw/zinc/08/65/07/866086507.db2.gz XVJAKGUGWHNSBA-PWSUYJOCSA-N -1 3 394.306 3.844 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCc2c(O)cccc21 ZINC000189605305 881939852 /nfs/dbraw/zinc/93/98/52/881939852.db2.gz FAOVYWZIODWTME-OAHLLOKOSA-N -1 3 391.265 3.737 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)c([O-])c1 ZINC000740927917 866112507 /nfs/dbraw/zinc/11/25/07/866112507.db2.gz WOIWKBPUMNEDCG-UHFFFAOYSA-N -1 3 395.419 3.572 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c([O-])c1 ZINC000534094002 866120367 /nfs/dbraw/zinc/12/03/67/866120367.db2.gz LIIQRJWWTVQELR-UHFFFAOYSA-N -1 3 385.807 3.660 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn(CCC(C)C)nn3)nc(=O)c2c1C ZINC000740989349 866142123 /nfs/dbraw/zinc/14/21/23/866142123.db2.gz ZWVYQESNRAYYDD-NSHDSACASA-N -1 3 389.481 3.569 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC[C@H]3C)ccc2C)c(C)c1 ZINC000620030413 866285204 /nfs/dbraw/zinc/28/52/04/866285204.db2.gz NDZORJJKXRENLZ-QGZVFWFLSA-N -1 3 386.517 3.955 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1C ZINC000325200161 866320763 /nfs/dbraw/zinc/32/07/63/866320763.db2.gz HJNBUMSXDWTNPZ-UHFFFAOYSA-N -1 3 391.276 3.916 20 0 GHADHM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000494576306 881965176 /nfs/dbraw/zinc/96/51/76/881965176.db2.gz BAYOXQWIAGDBMW-UHFFFAOYSA-N -1 3 399.299 3.584 20 0 GHADHM COC[C@@H](C)Oc1ccc(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000189693271 881978519 /nfs/dbraw/zinc/97/85/19/881978519.db2.gz KBEXFGUDNBRNNV-SECBINFHSA-N -1 3 391.777 3.880 20 0 GHADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1OCc1cnn(C)c1 ZINC000153480149 866512235 /nfs/dbraw/zinc/51/22/35/866512235.db2.gz RSHFPWWJKKEOSV-UHFFFAOYSA-N -1 3 387.823 3.619 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3Br)nc2)n1 ZINC000109318664 866594320 /nfs/dbraw/zinc/59/43/20/866594320.db2.gz JFWSEILKSOVJQV-UHFFFAOYSA-N -1 3 385.265 3.769 20 0 GHADHM CC(=O)Nc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)c(F)c1 ZINC000163173205 866609803 /nfs/dbraw/zinc/60/98/03/866609803.db2.gz WQCBCQFXJFDJMK-UHFFFAOYSA-N -1 3 380.408 3.989 20 0 GHADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000553010900 866620642 /nfs/dbraw/zinc/62/06/42/866620642.db2.gz DMIDVBCNNKMEKF-APWZRJJASA-N -1 3 386.810 3.581 20 0 GHADHM CCN(Cc1ccccc1NC(=O)c1cccc2n[n-]nc21)C(=O)OC(C)(C)C ZINC000183425092 866717732 /nfs/dbraw/zinc/71/77/32/866717732.db2.gz HFVDWCCGTVCFBJ-UHFFFAOYSA-N -1 3 395.463 3.967 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(O)cccc3Cl)nc(=O)c2c1C ZINC000146118634 866741409 /nfs/dbraw/zinc/74/14/09/866741409.db2.gz WVNXCWDYUOQETG-MRVPVSSYSA-N -1 3 378.837 3.878 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(OCCOC(C)C)CC2)c([O-])c1 ZINC000456812953 867170859 /nfs/dbraw/zinc/17/08/59/867170859.db2.gz XIYQNPACMRGYMQ-UHFFFAOYSA-N -1 3 379.497 3.617 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479133684 867200481 /nfs/dbraw/zinc/20/04/81/867200481.db2.gz TZZWCIAVLXEBDI-LBPRGKRZSA-N -1 3 386.233 3.767 20 0 GHADHM CCC1(CC)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCS1 ZINC000640296755 882065018 /nfs/dbraw/zinc/06/50/18/882065018.db2.gz QDZYIPLCDRJUHX-UHFFFAOYSA-N -1 3 384.855 3.660 20 0 GHADHM CC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H](O)c1c(F)cccc1F ZINC000857170326 882077905 /nfs/dbraw/zinc/07/79/05/882077905.db2.gz NUMWILKZHPADHC-HOCLYGCPSA-N -1 3 389.320 3.931 20 0 GHADHM O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000456933582 867403947 /nfs/dbraw/zinc/40/39/47/867403947.db2.gz GHHDZWLHTHUMOL-DOTOQJQBSA-N -1 3 398.812 3.806 20 0 GHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000523520546 867484883 /nfs/dbraw/zinc/48/48/83/867484883.db2.gz WZIGFLHEIWRVFH-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(OCC(F)(F)F)n1 ZINC000523527559 867498468 /nfs/dbraw/zinc/49/84/68/867498468.db2.gz ZXBUFWWKZIRBDF-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CC(C)N(Cc1ccco1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000523650743 867692011 /nfs/dbraw/zinc/69/20/11/867692011.db2.gz QCLHRSHVQWHEGB-UHFFFAOYSA-N -1 3 389.249 3.934 20 0 GHADHM COc1cccc2sc(NC(=O)c3c[n-]c4cc(F)c(OC)cc4c3=O)nc21 ZINC000553598107 867717892 /nfs/dbraw/zinc/71/78/92/867717892.db2.gz WCIVRCFYQVZKDR-UHFFFAOYSA-N -1 3 399.403 3.546 20 0 GHADHM COc1cc(OC)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1Cl ZINC000155127046 867761284 /nfs/dbraw/zinc/76/12/84/867761284.db2.gz AESYVTCXYSGVCD-UHFFFAOYSA-N -1 3 390.798 3.899 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)sc1-c1cccc(Cl)c1 ZINC000155392788 867892540 /nfs/dbraw/zinc/89/25/40/867892540.db2.gz UOIAKFGPJAOYTL-UHFFFAOYSA-N -1 3 394.909 3.832 20 0 GHADHM CC(C)(C)C1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000457336376 868060964 /nfs/dbraw/zinc/06/09/64/868060964.db2.gz CODWNELSFARVJU-FQEVSTJZSA-N -1 3 380.488 3.758 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000553746446 868112377 /nfs/dbraw/zinc/11/23/77/868112377.db2.gz OZDUUUKLSBLWAX-UHFFFAOYSA-N -1 3 394.393 3.608 20 0 GHADHM CC[C@H](CNc1ccccc1)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297180 882168237 /nfs/dbraw/zinc/16/82/37/882168237.db2.gz HKRIEZRUOAZCTH-LLVKDONJSA-N -1 3 389.809 3.533 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)c1[O-] ZINC000445340979 868289522 /nfs/dbraw/zinc/28/95/22/868289522.db2.gz JSCXFDHXVWLYOZ-UHFFFAOYSA-N -1 3 375.384 3.785 20 0 GHADHM COCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CC[C@@H](C)C1 ZINC000479688831 868339113 /nfs/dbraw/zinc/33/91/13/868339113.db2.gz QEDREUNZNGWOCX-OCCSQVGLSA-N -1 3 385.302 3.501 20 0 GHADHM O=C1CCc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c(F)cc2N1 ZINC000156973728 868518270 /nfs/dbraw/zinc/51/82/70/868518270.db2.gz KDIYGVJGQUKYHQ-UHFFFAOYSA-N -1 3 388.342 3.530 20 0 GHADHM O=C([O-])c1ccccc1OCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000183917538 868671348 /nfs/dbraw/zinc/67/13/48/868671348.db2.gz CLTFMLUGSYAZQZ-UHFFFAOYSA-N -1 3 398.286 3.955 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnn(-c4ccccc4C)c3)c2)n1 ZINC000744218009 868672752 /nfs/dbraw/zinc/67/27/52/868672752.db2.gz HSHYGYNWFUHCSP-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM C[C@H](Cc1cccc(F)c1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640298321 882216175 /nfs/dbraw/zinc/21/61/75/882216175.db2.gz MFJJJEOXMUPCQZ-SNVBAGLBSA-N -1 3 392.784 3.755 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)NC(=O)OCc3ccccc3)n[n-]2)o1 ZINC000744316177 868734958 /nfs/dbraw/zinc/73/49/58/868734958.db2.gz JCIWTDKJEIJSDD-UHFFFAOYSA-N -1 3 397.431 3.840 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)NC(=O)OCc3ccccc3)[n-]n2)o1 ZINC000744316177 868734971 /nfs/dbraw/zinc/73/49/71/868734971.db2.gz JCIWTDKJEIJSDD-UHFFFAOYSA-N -1 3 397.431 3.840 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)cc1 ZINC000102320701 882218703 /nfs/dbraw/zinc/21/87/03/882218703.db2.gz WGBUTUVYYKYNTL-UHFFFAOYSA-N -1 3 390.461 3.501 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C)o1 ZINC000479975043 868829669 /nfs/dbraw/zinc/82/96/69/868829669.db2.gz ANTAACSFWDSGIR-LBPRGKRZSA-N -1 3 378.277 3.951 20 0 GHADHM O=S(=O)([N-]C1(c2noc(C3CCCC3)n2)CCCCCC1)c1ccco1 ZINC000445750923 868931169 /nfs/dbraw/zinc/93/11/69/868931169.db2.gz UFPAOFKROSZXHZ-UHFFFAOYSA-N -1 3 379.482 3.848 20 0 GHADHM CCC1(c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CCCC1 ZINC000445782082 868975603 /nfs/dbraw/zinc/97/56/03/868975603.db2.gz MKKKPHJOKALRDT-GFCCVEGCSA-N -1 3 383.901 3.984 20 0 GHADHM COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000462249038 869091272 /nfs/dbraw/zinc/09/12/72/869091272.db2.gz URRZIKXSQICWIU-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM O=C(CCc1nc2ccccc2o1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000032522756 869244930 /nfs/dbraw/zinc/24/49/30/869244930.db2.gz WYZCCYJOLQBJQV-UHFFFAOYSA-N -1 3 378.215 3.528 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)o1 ZINC000462325192 869250530 /nfs/dbraw/zinc/25/05/30/869250530.db2.gz HIDYIQUHDHUKBE-OAHLLOKOSA-N -1 3 391.411 3.835 20 0 GHADHM CC(C)CCSCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000524586537 869279101 /nfs/dbraw/zinc/27/91/01/869279101.db2.gz PXIKZOHZRZEZHF-UHFFFAOYSA-N -1 3 398.472 3.795 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)c1nccs1 ZINC000462352453 869280110 /nfs/dbraw/zinc/28/01/10/869280110.db2.gz NMRZLFRNBSNINJ-VIFPVBQESA-N -1 3 381.342 3.705 20 0 GHADHM Clc1ccc(-c2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000737565822 869362122 /nfs/dbraw/zinc/36/21/22/869362122.db2.gz REEVASSIPUSCRR-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Clc1ccc(-c2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000737565822 869362131 /nfs/dbraw/zinc/36/21/31/869362131.db2.gz REEVASSIPUSCRR-UHFFFAOYSA-N -1 3 376.854 3.924 20 0 GHADHM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1F ZINC000539565263 869365018 /nfs/dbraw/zinc/36/50/18/869365018.db2.gz QJJPGCKHJXFGSA-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000539607671 869437354 /nfs/dbraw/zinc/43/73/54/869437354.db2.gz RFTGKNFTUMDASR-UHFFFAOYSA-N -1 3 391.836 3.619 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCCC2)c(Br)c1 ZINC000462485726 869531147 /nfs/dbraw/zinc/53/11/47/869531147.db2.gz YSZZIGQUQHYIFP-UHFFFAOYSA-N -1 3 397.132 3.741 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cccc(Cl)c2)s1 ZINC000462479077 869540339 /nfs/dbraw/zinc/54/03/39/869540339.db2.gz KQRQBILHTQPEDZ-UHFFFAOYSA-N -1 3 394.743 3.993 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)Cc1cccs1 ZINC000462495287 869559519 /nfs/dbraw/zinc/55/95/19/869559519.db2.gz KMBRODVKTUTGAT-JTQLQIEISA-N -1 3 392.315 3.807 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000446233764 869582936 /nfs/dbraw/zinc/58/29/36/869582936.db2.gz LCGZRYZPDHBMOU-UHFFFAOYSA-N -1 3 376.859 3.921 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3cncc4ccccc43)cc2)n1 ZINC000462503306 869586740 /nfs/dbraw/zinc/58/67/40/869586740.db2.gz ROHRHASGVYLQFI-UHFFFAOYSA-N -1 3 384.439 3.865 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1[O-] ZINC000745656548 869714280 /nfs/dbraw/zinc/71/42/80/869714280.db2.gz YYFQWSIRAXDTCU-UHFFFAOYSA-N -1 3 397.383 3.651 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000669843320 869772372 /nfs/dbraw/zinc/77/23/72/869772372.db2.gz CCOYQUYMQPQDLI-QMMMGPOBSA-N -1 3 394.287 3.698 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCCC2 ZINC000462663793 869866904 /nfs/dbraw/zinc/86/69/04/869866904.db2.gz NXNLDPFUJPKQBW-GJZGRUSLSA-N -1 3 395.418 3.861 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000632465349 882349130 /nfs/dbraw/zinc/34/91/30/882349130.db2.gz NUISJLYNJZFJCA-SSDOTTSWSA-N -1 3 381.342 3.569 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1c2ccccc2CCC[C@@H]1C ZINC000462672150 869901188 /nfs/dbraw/zinc/90/11/88/869901188.db2.gz CNALTUISVBYWFU-ORAYPTAESA-N -1 3 391.464 3.604 20 0 GHADHM COC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccccc1 ZINC000539853341 869920027 /nfs/dbraw/zinc/92/00/27/869920027.db2.gz BFXSZWPXNLLDLH-IBGZPJMESA-N -1 3 378.432 3.667 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1sccc1Br)c1nc(C)cs1 ZINC000173373962 882357622 /nfs/dbraw/zinc/35/76/22/882357622.db2.gz WJWGDKIBDJLRPB-LBPRGKRZSA-N -1 3 395.369 3.879 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CSc2nccc3ccccc32)c([O-])c1 ZINC000539971786 870133102 /nfs/dbraw/zinc/13/31/02/870133102.db2.gz NXKMRIGIKJRUMX-UHFFFAOYSA-N -1 3 382.441 3.848 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322676 870288726 /nfs/dbraw/zinc/28/87/26/870288726.db2.gz JSDLKHPBUTUNLF-MRXNPFEDSA-N -1 3 380.488 3.676 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1F ZINC001192357625 870316932 /nfs/dbraw/zinc/31/69/32/870316932.db2.gz DJHZQDUAXCAELP-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1ccc(Cl)nc1C(F)(F)F ZINC001192466229 870385382 /nfs/dbraw/zinc/38/53/82/870385382.db2.gz UJHVQAFAQBEMDO-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM CCC([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)(C1CC1)C1CC1 ZINC001192543844 870504213 /nfs/dbraw/zinc/50/42/13/870504213.db2.gz QOQQLCFLTBPFEG-UHFFFAOYSA-N -1 3 381.391 3.971 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@H](C)C2)cc1Cl ZINC000248642263 870572630 /nfs/dbraw/zinc/57/26/30/870572630.db2.gz RNMIKVZIDIYFIK-CKYFFXLPSA-N -1 3 376.881 3.541 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](CCCO)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000525401225 870616820 /nfs/dbraw/zinc/61/68/20/870616820.db2.gz LLDXJKCAUVVNJF-LJQANCHMSA-N -1 3 392.459 3.793 20 0 GHADHM CSCc1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000130116808 870632738 /nfs/dbraw/zinc/63/27/38/870632738.db2.gz DDFJPYDBLHNJSN-UHFFFAOYSA-N -1 3 397.269 3.526 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001192761302 870645067 /nfs/dbraw/zinc/64/50/67/870645067.db2.gz ZKSDIDFPIZLILJ-HNNXBMFYSA-N -1 3 396.365 3.707 20 0 GHADHM C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)c(Cl)c1 ZINC000461623805 870647801 /nfs/dbraw/zinc/64/78/01/870647801.db2.gz MLNKGPFUGOROGD-SECBINFHSA-N -1 3 394.258 3.632 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)C(F)(F)F ZINC001192789359 870665937 /nfs/dbraw/zinc/66/59/37/870665937.db2.gz SWFKWDVXEQLVNX-LLVKDONJSA-N -1 3 377.359 3.634 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC001192836093 870720780 /nfs/dbraw/zinc/72/07/80/870720780.db2.gz IJHLHGXLHQGEAY-INIZCTEOSA-N -1 3 391.386 3.979 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC1(Cl)Cl)c1cc2nc(Cl)ccc2s1 ZINC001192894617 870750837 /nfs/dbraw/zinc/75/08/37/870750837.db2.gz CFLWSZVRWRPPNH-ZETCQYMHSA-N -1 3 385.725 3.812 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000536503883 882441779 /nfs/dbraw/zinc/44/17/79/882441779.db2.gz WCBSJEHEQFTRJC-JTQLQIEISA-N -1 3 382.873 3.676 20 0 GHADHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738380410 870869180 /nfs/dbraw/zinc/86/91/80/870869180.db2.gz HLLVZDBWKAEAPP-GWCFXTLKSA-N -1 3 381.325 3.508 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)cc1 ZINC001193052140 870875444 /nfs/dbraw/zinc/87/54/44/870875444.db2.gz OWIZTNSEQFLBGR-UHFFFAOYSA-N -1 3 377.462 3.871 20 0 GHADHM O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(Br)c(=O)[n-]1 ZINC001193163405 870927998 /nfs/dbraw/zinc/92/79/98/870927998.db2.gz XBYMNKDLODSNJK-UHFFFAOYSA-N -1 3 390.262 3.603 20 0 GHADHM O=C([N-]c1c(Cl)cnnc1Cl)c1cc(Cl)cnc1Br ZINC001193261450 870982815 /nfs/dbraw/zinc/98/28/15/870982815.db2.gz JXFBSKVHZQSASR-UHFFFAOYSA-N -1 3 382.432 3.847 20 0 GHADHM COc1ncc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1Br ZINC000617894202 870992665 /nfs/dbraw/zinc/99/26/65/870992665.db2.gz XPPTZNKWZFKJBR-UHFFFAOYSA-N -1 3 397.244 3.967 20 0 GHADHM Cc1cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(C)n1[C@H](C)c1ccccc1 ZINC001168939713 871025475 /nfs/dbraw/zinc/02/54/75/871025475.db2.gz ROWWWHVLASOXIL-CQSZACIVSA-N -1 3 376.460 3.674 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(Cl)c1 ZINC001193351151 871035864 /nfs/dbraw/zinc/03/58/64/871035864.db2.gz WDMONGDKEDJIEW-UHFFFAOYSA-N -1 3 377.224 3.892 20 0 GHADHM O=C([N-]c1cc2c(=O)[nH]cnc2cc1F)c1c(F)ccc(Br)c1F ZINC000447189569 871159085 /nfs/dbraw/zinc/15/90/85/871159085.db2.gz BGLZEVJKDJJHIT-UHFFFAOYSA-N -1 3 398.138 3.768 20 0 GHADHM COc1ccnc(C(=O)N2CC[C@H](OCc3ccc(Cl)cc3Cl)C2)c1[O-] ZINC001193528004 871160263 /nfs/dbraw/zinc/16/02/63/871160263.db2.gz ITNDJQGIVANJPK-ZDUSSCGKSA-N -1 3 397.258 3.534 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](c3ccc(O)cc3)C3CC3)cc2)n1 ZINC000667199834 871251951 /nfs/dbraw/zinc/25/19/51/871251951.db2.gz WXQCIOGJWRINKE-HXUWFJFHSA-N -1 3 389.455 3.973 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)c2ccc([O-])cc2C(F)(F)F)CC1 ZINC001193734007 871255882 /nfs/dbraw/zinc/25/58/82/871255882.db2.gz OSJCXRJBZDBUMC-UHFFFAOYSA-N -1 3 394.393 3.772 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(Br)c(F)c2)n1 ZINC001193888276 871346117 /nfs/dbraw/zinc/34/61/17/871346117.db2.gz DGZSYBLUQVJSDB-OAHLLOKOSA-N -1 3 380.261 3.983 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(Cl)c(OC)c1F ZINC001212586804 871346993 /nfs/dbraw/zinc/34/69/93/871346993.db2.gz AIYLKLBRQSUJJT-UHFFFAOYSA-N -1 3 383.832 3.849 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1ccc(Cl)c(OC)c1F ZINC001212586804 871347018 /nfs/dbraw/zinc/34/70/18/871347018.db2.gz AIYLKLBRQSUJJT-UHFFFAOYSA-N -1 3 383.832 3.849 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C(=Cc2ccc(F)cc2)c2cccs2)[n-]1 ZINC000793959518 882501015 /nfs/dbraw/zinc/50/10/15/882501015.db2.gz LMLIOSGYDALAID-GXDHUFHOSA-N -1 3 385.420 3.966 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C(=Cc2ccc(F)cc2)c2cccs2)c[n-]1 ZINC000793959518 882501028 /nfs/dbraw/zinc/50/10/28/882501028.db2.gz LMLIOSGYDALAID-GXDHUFHOSA-N -1 3 385.420 3.966 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1 ZINC001193862219 871362008 /nfs/dbraw/zinc/36/20/08/871362008.db2.gz CLMYJCYTAQMDCE-UHFFFAOYSA-N -1 3 384.501 3.768 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCc2c1cccc2OC(F)(F)F ZINC001169365018 871431474 /nfs/dbraw/zinc/43/14/74/871431474.db2.gz REJBOSKMPKXQBB-CYBMUJFWSA-N -1 3 391.353 3.873 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCc2c1cccc2OC(F)(F)F ZINC001169365018 871431483 /nfs/dbraw/zinc/43/14/83/871431483.db2.gz REJBOSKMPKXQBB-CYBMUJFWSA-N -1 3 391.353 3.873 20 0 GHADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Nc3ccc(Cl)c([O-])c3)cc2)C[C@@H](C)O1 ZINC001212591257 871635481 /nfs/dbraw/zinc/63/54/81/871635481.db2.gz CPIGOAKYGUSJQV-CHWSQXEVSA-N -1 3 396.896 3.587 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)cc1O ZINC001194371210 871642615 /nfs/dbraw/zinc/64/26/15/871642615.db2.gz FIMOCEPCWKQMJG-UHFFFAOYSA-N -1 3 382.800 3.548 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)cc12 ZINC001194372378 871644212 /nfs/dbraw/zinc/64/42/12/871644212.db2.gz ALAMDUAXUYXXGH-UHFFFAOYSA-N -1 3 388.754 3.812 20 0 GHADHM O=C([N-]c1nnc(Br)s1)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194387015 871664226 /nfs/dbraw/zinc/66/42/26/871664226.db2.gz DIYHKJAZAJUHTI-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000775605179 871794098 /nfs/dbraw/zinc/79/40/98/871794098.db2.gz YKSNCUFIQCNMTJ-NSHDSACASA-N -1 3 379.638 3.691 20 0 GHADHM COc1c(Br)cc(Cl)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775605179 871794111 /nfs/dbraw/zinc/79/41/11/871794111.db2.gz YKSNCUFIQCNMTJ-NSHDSACASA-N -1 3 379.638 3.691 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1Cl ZINC001194581403 871810487 /nfs/dbraw/zinc/81/04/87/871810487.db2.gz DCPOEKAIFWDSPC-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(Br)nc1Cl ZINC001194605715 871831443 /nfs/dbraw/zinc/83/14/43/871831443.db2.gz RVNWQFUBSKZSFC-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000526033322 871935844 /nfs/dbraw/zinc/93/58/44/871935844.db2.gz VFGMNTWTLQQDKO-YVWKXTFCSA-N -1 3 396.462 3.588 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794098785 882568378 /nfs/dbraw/zinc/56/83/78/882568378.db2.gz FWWMUWNLAXTISB-UHFFFAOYSA-N -1 3 376.359 3.588 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cccc3nccnc32)c1Br ZINC001194978991 872082126 /nfs/dbraw/zinc/08/21/26/872082126.db2.gz VLZNCKDDFKCXER-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1cc(Br)c([N-]S(=O)(=O)c2cccc3nccnc32)cc1C ZINC001194986582 872089994 /nfs/dbraw/zinc/08/99/94/872089994.db2.gz VGEWXKQXKIWDIK-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H](C)C3CCCCC3)c2)[n-]1 ZINC000447681553 872092047 /nfs/dbraw/zinc/09/20/47/872092047.db2.gz PFAIOQPNAPIDDJ-HNNXBMFYSA-N -1 3 398.507 3.871 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H](C)C3CCCCC3)c2)n[n-]1 ZINC000447681553 872092067 /nfs/dbraw/zinc/09/20/67/872092067.db2.gz PFAIOQPNAPIDDJ-HNNXBMFYSA-N -1 3 398.507 3.871 20 0 GHADHM CC[C@H](C)N1CC2(CCC1=O)CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001271914268 872099150 /nfs/dbraw/zinc/09/91/50/872099150.db2.gz CLYWNEGRTUDTHO-AWEZNQCLSA-N -1 3 378.900 3.689 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC001195252073 872282516 /nfs/dbraw/zinc/28/25/16/872282516.db2.gz KFLUMAYWFKENIJ-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM C[C@H](CO[N-]C(=O)CCSc1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC000767180007 872325880 /nfs/dbraw/zinc/32/58/80/872325880.db2.gz VUGITBXCQIUCNH-GFCCVEGCSA-N -1 3 388.917 3.783 20 0 GHADHM Cc1cc2occ(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c2cc1C ZINC000767179125 872326285 /nfs/dbraw/zinc/32/62/85/872326285.db2.gz PZZJDJPRUCUDQD-AWEZNQCLSA-N -1 3 376.453 3.553 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(F)cc1F ZINC001195310212 872329863 /nfs/dbraw/zinc/32/98/63/872329863.db2.gz UYPOAPFHAXDSRT-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC1([C@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)OCCO1 ZINC000182414954 872334368 /nfs/dbraw/zinc/33/43/68/872334368.db2.gz RGOIXENILMIJAD-IBGZPJMESA-N -1 3 381.472 3.598 20 0 GHADHM Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc([O-])c1Br ZINC001195317023 872334964 /nfs/dbraw/zinc/33/49/64/872334964.db2.gz ZIHDUUFZFQMDKC-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1[O-] ZINC000552287285 872352401 /nfs/dbraw/zinc/35/24/01/872352401.db2.gz NUCBMFCYDSYFLX-QGZVFWFLSA-N -1 3 394.471 3.703 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000526959361 872359599 /nfs/dbraw/zinc/35/95/99/872359599.db2.gz LECSGBWZVXKQJP-PTAWQOSSSA-N -1 3 383.414 3.771 20 0 GHADHM Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000463700207 872367424 /nfs/dbraw/zinc/36/74/24/872367424.db2.gz SVJPVRXJZFUNNF-UHFFFAOYSA-N -1 3 396.915 3.730 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000775652074 872380106 /nfs/dbraw/zinc/38/01/06/872380106.db2.gz DVOJGBVFJGNSEI-CZUORRHYSA-N -1 3 379.457 3.852 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000775652074 872380125 /nfs/dbraw/zinc/38/01/25/872380125.db2.gz DVOJGBVFJGNSEI-CZUORRHYSA-N -1 3 379.457 3.852 20 0 GHADHM CCOC(=O)c1sc(SC)nc1[N-]C(=O)c1nccc(Cl)c1Cl ZINC001195447469 872394668 /nfs/dbraw/zinc/39/46/68/872394668.db2.gz LOCZUXJNTJAUMA-UHFFFAOYSA-N -1 3 392.289 3.996 20 0 GHADHM CCOC([O-])=NC(=S)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 ZINC001195457718 872402735 /nfs/dbraw/zinc/40/27/35/872402735.db2.gz DZRDCHSAUDGZIS-UHFFFAOYSA-N -1 3 376.507 3.679 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 ZINC001195457718 872402741 /nfs/dbraw/zinc/40/27/41/872402741.db2.gz DZRDCHSAUDGZIS-UHFFFAOYSA-N -1 3 376.507 3.679 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1F)c1cc(Br)ccc1F ZINC001195496881 872448630 /nfs/dbraw/zinc/44/86/30/872448630.db2.gz WXBSJROUEZCKQK-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1Cl)c1cc(Br)ccc1F ZINC001195499071 872450578 /nfs/dbraw/zinc/45/05/78/872450578.db2.gz OLZKBXPHMCENOF-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C2CC2)s1 ZINC000447873653 872500768 /nfs/dbraw/zinc/50/07/68/872500768.db2.gz IJBAFWYPRLRULO-CYBMUJFWSA-N -1 3 392.424 3.622 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)c1 ZINC000619375436 872602004 /nfs/dbraw/zinc/60/20/04/872602004.db2.gz XFDIMRSSTXQIFC-CYBMUJFWSA-N -1 3 388.851 3.648 20 0 GHADHM C[C@@H](C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000182607759 872605512 /nfs/dbraw/zinc/60/55/12/872605512.db2.gz VIPCGAUEHQRENV-SNVBAGLBSA-N -1 3 381.657 3.667 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H]1c1ccccc1Br ZINC001195762804 872621953 /nfs/dbraw/zinc/62/19/53/872621953.db2.gz GIBKYEKAPVJPAV-INIZCTEOSA-N -1 3 382.279 3.681 20 0 GHADHM CC(C)N(C[C@@H](O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195791142 872665732 /nfs/dbraw/zinc/66/57/32/872665732.db2.gz DRJYHZYJGGBLKG-OAQYLSRUSA-N -1 3 385.485 3.678 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001195791466 872665740 /nfs/dbraw/zinc/66/57/40/872665740.db2.gz MDRARYPAXPYLDG-PXAZEXFGSA-N -1 3 384.284 3.661 20 0 GHADHM Cc1c(Cl)c(Br)ccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195794684 872667062 /nfs/dbraw/zinc/66/70/62/872667062.db2.gz GQICUIKMEYJIIM-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=S(=O)(NCC1(Cc2ccccn2)CCC(F)(F)CC1)c1ccc([O-])cc1 ZINC001195836046 872703650 /nfs/dbraw/zinc/70/36/50/872703650.db2.gz TVMHKXHDGBDFQR-UHFFFAOYSA-N -1 3 396.459 3.504 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195902793 872745363 /nfs/dbraw/zinc/74/53/63/872745363.db2.gz CLXHENVRJJFWMH-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195902793 872745372 /nfs/dbraw/zinc/74/53/72/872745372.db2.gz CLXHENVRJJFWMH-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM Cc1sc(Br)cc1C(=O)Nc1ncc([O-])cc1Br ZINC001195952980 872792940 /nfs/dbraw/zinc/79/29/40/872792940.db2.gz VFRBMDATJUMLMR-UHFFFAOYSA-N -1 3 392.072 3.934 20 0 GHADHM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc21 ZINC000507937728 872818459 /nfs/dbraw/zinc/81/84/59/872818459.db2.gz UAEDPKSRKGSVPQ-UHFFFAOYSA-N -1 3 396.443 3.579 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(OC3CCOCC3)c(C(F)(F)F)c2)n1 ZINC001196050779 872856963 /nfs/dbraw/zinc/85/69/63/872856963.db2.gz QLYAFJWLHBLLIJ-UHFFFAOYSA-N -1 3 396.365 3.925 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152841865 872911003 /nfs/dbraw/zinc/91/10/03/872911003.db2.gz UXHRPGYVWGLJAN-CQSZACIVSA-N -1 3 389.496 3.956 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](C)c3ccsc3)nc(=O)c2c1C ZINC000619782831 872996816 /nfs/dbraw/zinc/99/68/16/872996816.db2.gz LOONGFXVKPZTAK-MNOVXSKESA-N -1 3 391.518 3.943 20 0 GHADHM COC(=O)Cc1c(F)ccc([N-]C(=O)c2snc(Cl)c2Cl)c1F ZINC001196342288 873042587 /nfs/dbraw/zinc/04/25/87/873042587.db2.gz SXVJBPYJXWAKJL-UHFFFAOYSA-N -1 3 381.187 3.696 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc3onc(C(C)C)c3c2)c(C(=O)OCC)[n-]1 ZINC000191964749 882685915 /nfs/dbraw/zinc/68/59/15/882685915.db2.gz NLVNHNWHAGQUQC-UHFFFAOYSA-N -1 3 399.451 3.841 20 0 GHADHM CC(=O)c1ccsc1NC(=O)c1cc([O-])cc(I)c1 ZINC001196400022 873075898 /nfs/dbraw/zinc/07/58/98/873075898.db2.gz XCFJGBOPACCEAC-UHFFFAOYSA-N -1 3 387.198 3.513 20 0 GHADHM O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc2n[n-]nc21 ZINC000527364906 873086666 /nfs/dbraw/zinc/08/66/66/873086666.db2.gz AOHBHUDRWAFTNP-OAHLLOKOSA-N -1 3 389.228 3.741 20 0 GHADHM CC[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccc(F)cc1 ZINC000122857369 882686898 /nfs/dbraw/zinc/68/68/98/882686898.db2.gz VZAUYZAXGKTLBX-INIZCTEOSA-N -1 3 394.468 3.728 20 0 GHADHM Cc1nc2c(cccc2NC(=O)c2cc([O-])cc(I)c2)o1 ZINC001196416830 873101563 /nfs/dbraw/zinc/10/15/63/873101563.db2.gz DBGJTIKDWXHNSQ-UHFFFAOYSA-N -1 3 394.168 3.699 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC001196551748 873205283 /nfs/dbraw/zinc/20/52/83/873205283.db2.gz XFVFSJFBDPTTLD-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(-c3cccc(Cl)c3)no2)c1 ZINC001196791614 873362417 /nfs/dbraw/zinc/36/24/17/873362417.db2.gz DNHAZFPXWCXAKD-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM O=C(Cc1ccccc1F)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176627814 882720663 /nfs/dbraw/zinc/72/06/63/882720663.db2.gz DQSMOKLPQFYNKJ-UHFFFAOYSA-N -1 3 390.842 3.605 20 0 GHADHM CC(C)(C)c1nc(C(=O)[N-]c2ncc3ccccc3c2Br)no1 ZINC001196980130 873507687 /nfs/dbraw/zinc/50/76/87/873507687.db2.gz GPQXNJSDHVSMBT-UHFFFAOYSA-N -1 3 375.226 3.930 20 0 GHADHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2c(F)cccc2C(C)C)c1 ZINC001197121085 873612693 /nfs/dbraw/zinc/61/26/93/873612693.db2.gz PFWSFSCIAFAICW-ZHACJKMWSA-N -1 3 377.437 3.936 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc4c(c3)COC4)c2)n1 ZINC000541608882 873942779 /nfs/dbraw/zinc/94/27/79/873942779.db2.gz XYHSVHVTNLGVFL-UHFFFAOYSA-N -1 3 375.428 3.623 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cnc2cc(C3CCC3)nn2c1 ZINC001197649990 873947239 /nfs/dbraw/zinc/94/72/39/873947239.db2.gz YGTGVSWMILIWCY-UHFFFAOYSA-N -1 3 394.859 3.731 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000494667869 882780090 /nfs/dbraw/zinc/78/00/90/882780090.db2.gz UWOPJEYSGAGFIA-UHFFFAOYSA-N -1 3 397.378 3.819 20 0 GHADHM CC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc(C(C)=O)c1 ZINC001197685452 873979922 /nfs/dbraw/zinc/97/99/22/873979922.db2.gz PZIXTCYZJWFMON-UHFFFAOYSA-N -1 3 383.828 3.826 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)c1ccc(F)cc1F ZINC001197763912 874001951 /nfs/dbraw/zinc/00/19/51/874001951.db2.gz UWJSOTPEOYRRTQ-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM O=C1NCc2c([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)cccc2N1 ZINC001197753408 874029615 /nfs/dbraw/zinc/02/96/15/874029615.db2.gz LMJPEGYHOKPICM-UHFFFAOYSA-N -1 3 386.260 3.570 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509421818 874076228 /nfs/dbraw/zinc/07/62/28/874076228.db2.gz PILVLKJTTDGXNZ-UHFFFAOYSA-N -1 3 379.787 3.585 20 0 GHADHM Cc1ccnc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC(F)(F)CC2)c1 ZINC001198028683 874188164 /nfs/dbraw/zinc/18/81/64/874188164.db2.gz AKLIQGWWNDQIFU-UHFFFAOYSA-N -1 3 380.460 3.859 20 0 GHADHM COCc1nc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c(-c2ccccc2)s1 ZINC000464641041 874216671 /nfs/dbraw/zinc/21/66/71/874216671.db2.gz AGHVZADCPRXUCV-UHFFFAOYSA-N -1 3 399.863 3.905 20 0 GHADHM COc1ccc(-c2nc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cs2)cc1 ZINC000464645605 874224404 /nfs/dbraw/zinc/22/44/04/874224404.db2.gz VHIHCOSLELARMN-UHFFFAOYSA-N -1 3 385.836 3.767 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000448956204 874254008 /nfs/dbraw/zinc/25/40/08/874254008.db2.gz NZVFHIXIRCTQNJ-MRXNPFEDSA-N -1 3 394.849 3.647 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1F)c1cccc(Cl)n1 ZINC001198260336 874291813 /nfs/dbraw/zinc/29/18/13/874291813.db2.gz WLAMSJYXALAPNQ-INIZCTEOSA-N -1 3 398.887 3.710 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1F ZINC000769888462 874352750 /nfs/dbraw/zinc/35/27/50/874352750.db2.gz AUCBNJYAEVFTQE-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000134288245 882836890 /nfs/dbraw/zinc/83/68/90/882836890.db2.gz KNCJWSPEGFZUBB-UHFFFAOYSA-N -1 3 375.406 3.691 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(OC2CCCC2)c1 ZINC001198721301 874581550 /nfs/dbraw/zinc/58/15/50/874581550.db2.gz FCXGGIWYZAOMJP-UHFFFAOYSA-N -1 3 396.896 3.544 20 0 GHADHM COc1nnc(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)[n-]1 ZINC000770451428 874693100 /nfs/dbraw/zinc/69/31/00/874693100.db2.gz CNBWPCZZYCSYEZ-UHFFFAOYSA-N -1 3 385.449 3.503 20 0 GHADHM COc1nc(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)n[n-]1 ZINC000770451428 874693105 /nfs/dbraw/zinc/69/31/05/874693105.db2.gz CNBWPCZZYCSYEZ-UHFFFAOYSA-N -1 3 385.449 3.503 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)n1 ZINC000770451428 874693112 /nfs/dbraw/zinc/69/31/12/874693112.db2.gz CNBWPCZZYCSYEZ-UHFFFAOYSA-N -1 3 385.449 3.503 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccsc1C(F)(F)F ZINC000528562557 874709550 /nfs/dbraw/zinc/70/95/50/874709550.db2.gz CVIOGEBMSLCPOY-UHFFFAOYSA-N -1 3 398.406 3.507 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc2cscc2s1 ZINC000528564180 874710866 /nfs/dbraw/zinc/71/08/66/874710866.db2.gz OGWSYRCYAWFUSU-UHFFFAOYSA-N -1 3 386.498 3.703 20 0 GHADHM O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cccc(Cl)c1[O-] ZINC000775928871 874788678 /nfs/dbraw/zinc/78/86/78/874788678.db2.gz GIEZSQGUVFYPRD-UHFFFAOYSA-N -1 3 399.584 3.808 20 0 GHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000775929074 874788867 /nfs/dbraw/zinc/78/88/67/874788867.db2.gz IQUQTYZYDALQSF-ZDUSSCGKSA-N -1 3 388.851 3.830 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(OC(F)F)n2)c([O-])c1 ZINC001199305571 874900668 /nfs/dbraw/zinc/90/06/68/874900668.db2.gz RPYJZAFPMYRLNI-UHFFFAOYSA-N -1 3 380.347 3.596 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3NC(=O)C(C)(C)C)nc21 ZINC000746505788 875019340 /nfs/dbraw/zinc/01/93/40/875019340.db2.gz FKRQYQWGPFLIDG-UHFFFAOYSA-N -1 3 394.431 3.586 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000775999433 875094212 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CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1cnc(C)[n-]c1=O ZINC000542422127 875545557 /nfs/dbraw/zinc/54/55/57/875545557.db2.gz QMPRANVBKMKWSL-CQSZACIVSA-N -1 3 383.279 3.618 20 0 GHADHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000123027372 882953597 /nfs/dbraw/zinc/95/35/97/882953597.db2.gz KIYHTYCZPYXOAF-LEWJYISDSA-N -1 3 376.456 3.957 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201593935 875772852 /nfs/dbraw/zinc/77/28/52/875772852.db2.gz BYCKLGFBNXSNEK-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)ccc1C ZINC001201619170 875793955 /nfs/dbraw/zinc/79/39/55/875793955.db2.gz GPDYXNOAVZZCEN-UHFFFAOYSA-N -1 3 398.440 3.770 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)c(CO)c1)c1ccc(Oc2ccncc2)cc1 ZINC001201622218 875796914 /nfs/dbraw/zinc/79/69/14/875796914.db2.gz BJWGWMXDVZWAGV-UHFFFAOYSA-N -1 3 390.848 3.820 20 0 GHADHM CC1(c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)cc2)COC1 ZINC001201625312 875799952 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CCc1ccc([C@H]2CCCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000776255127 876063592 /nfs/dbraw/zinc/06/35/92/876063592.db2.gz CLJAQSSFMJUVCS-GFCCVEGCSA-N -1 3 385.390 3.806 20 0 GHADHM CCOC1(CS(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)CCOCC1 ZINC000629293398 876121341 /nfs/dbraw/zinc/12/13/41/876121341.db2.gz ITDCRYWUXURWGK-UHFFFAOYSA-N -1 3 383.844 3.605 20 0 GHADHM C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccc(C(F)(F)F)cc1 ZINC000785626143 876158298 /nfs/dbraw/zinc/15/82/98/876158298.db2.gz UEQRAGMSPAQLHE-LLVKDONJSA-N -1 3 375.350 3.888 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cc([O-])cc(Br)c1 ZINC000529476249 876210604 /nfs/dbraw/zinc/21/06/04/876210604.db2.gz ROZFFPAPWMNYEK-TZMCWYRMSA-N -1 3 382.279 3.866 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000179524798 883006940 /nfs/dbraw/zinc/00/69/40/883006940.db2.gz JRZHPAAOOBOECV-RBZFPXEDSA-N -1 3 391.427 3.774 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)o1 ZINC000173354297 876335921 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20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Br)s1 ZINC001129613421 883037867 /nfs/dbraw/zinc/03/78/67/883037867.db2.gz SDMKWXNFUTVFKR-SSDOTTSWSA-N -1 3 396.245 3.572 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Br)s1 ZINC001129613421 883037887 /nfs/dbraw/zinc/03/78/87/883037887.db2.gz SDMKWXNFUTVFKR-SSDOTTSWSA-N -1 3 396.245 3.572 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(F)c2Cl)cc1OC ZINC000173679903 876567285 /nfs/dbraw/zinc/56/72/85/876567285.db2.gz XYSNYLMNUQXQQC-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000530011071 876965615 /nfs/dbraw/zinc/96/56/15/876965615.db2.gz FDCMEYMBOFEZHU-VIFPVBQESA-N -1 3 385.208 3.550 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN[C@H]2CC(C)(C)c3ccccc32)n1 ZINC000850576720 877046373 /nfs/dbraw/zinc/04/63/73/877046373.db2.gz QGOSMQYJDWEWJJ-KRWDZBQOSA-N -1 3 398.507 3.719 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)[C@@H](C)C2 ZINC000850577231 877048936 /nfs/dbraw/zinc/04/89/36/877048936.db2.gz WKVYUJYVVTYPSK-XOBRGWDASA-N -1 3 398.507 3.538 20 0 GHADHM CCNC(=O)c1cc(Cl)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786931051 877064172 /nfs/dbraw/zinc/06/41/72/877064172.db2.gz UDCVKBTVDCBPAC-UHFFFAOYSA-N -1 3 378.831 3.896 20 0 GHADHM O=c1[n-]nc(C2CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)o1 ZINC000450917337 877074890 /nfs/dbraw/zinc/07/48/90/877074890.db2.gz DGZDPRJCZKCPGD-UHFFFAOYSA-N -1 3 383.423 3.873 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000747201787 883096940 /nfs/dbraw/zinc/09/69/40/883096940.db2.gz IWUPLNBBWAQIMR-UHFFFAOYSA-N -1 3 395.440 3.684 20 0 GHADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c1 ZINC000530133976 877178682 /nfs/dbraw/zinc/17/86/82/877178682.db2.gz MYGCFCYMLYTKBQ-SFHVURJKSA-N -1 3 394.468 3.612 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(COC(C)C)c1)c1ccc(F)cc1 ZINC000530134694 877183328 /nfs/dbraw/zinc/18/33/28/877183328.db2.gz RCKHLOGDVRCKBF-IBGZPJMESA-N -1 3 381.469 3.880 20 0 GHADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1nnc2ccccc2c1[O-] ZINC000776492563 877186679 /nfs/dbraw/zinc/18/66/79/877186679.db2.gz PIDXBXLCPLUVSK-UHFFFAOYSA-N -1 3 392.242 3.589 20 0 GHADHM Cc1nc(CC[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)sc1C ZINC000477204491 877212448 /nfs/dbraw/zinc/21/24/48/877212448.db2.gz CCKPQZDBMHIYHF-UHFFFAOYSA-N -1 3 384.910 3.989 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2)c1ccc(F)cc1 ZINC000530153537 877214460 /nfs/dbraw/zinc/21/44/60/877214460.db2.gz JZMUIDYRVUNCDB-FQEVSTJZSA-N -1 3 392.496 3.679 20 0 GHADHM CCCCN1Cc2cccc([N-]S(=O)(=O)C[C@H](OC)c3ccccc3)c2C1 ZINC000451006724 877219191 /nfs/dbraw/zinc/21/91/91/877219191.db2.gz IDAUNPPCOXAWGZ-NRFANRHFSA-N -1 3 388.533 3.932 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787213245 877226778 /nfs/dbraw/zinc/22/67/78/877226778.db2.gz IHOSDIOPDAEPSV-CABCVRRESA-N -1 3 394.487 3.710 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787213247 877227672 /nfs/dbraw/zinc/22/76/72/877227672.db2.gz IHOSDIOPDAEPSV-HUUCEWRRSA-N -1 3 394.487 3.710 20 0 GHADHM O=C([O-])c1sccc1CN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530163990 877235567 /nfs/dbraw/zinc/23/55/67/877235567.db2.gz LXRWBXPQZNUSKJ-UHFFFAOYSA-N -1 3 375.494 3.942 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)s1 ZINC000136509651 877236739 /nfs/dbraw/zinc/23/67/39/877236739.db2.gz PCWOZSIVXDNPPR-UHFFFAOYSA-N -1 3 394.909 3.946 20 0 GHADHM COc1ccc(-c2nc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)cs2)cc1OC ZINC000530180308 877242782 /nfs/dbraw/zinc/24/27/82/877242782.db2.gz XJLYDGWNTULGRG-STQMWFEESA-N -1 3 390.505 3.901 20 0 GHADHM CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000136802082 877394891 /nfs/dbraw/zinc/39/48/91/877394891.db2.gz MVXOHIGUNGTPJJ-ZDUSSCGKSA-N -1 3 385.464 3.612 20 0 GHADHM O=C1[N-]C(=O)C(=CN[C@H]2CCCc3cc(OC(F)F)ccc32)c2ccccc21 ZINC000746690857 877477439 /nfs/dbraw/zinc/47/74/39/877477439.db2.gz UBDVTSAHYTZETE-PNDHZVEESA-N -1 3 384.382 3.566 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC/C=C/c2ccc(Cl)cc2)ccc1F ZINC000787681849 877552153 /nfs/dbraw/zinc/55/21/53/877552153.db2.gz OPYLSSNNXNMZBU-NSCUHMNNSA-N -1 3 383.828 3.721 20 0 GHADHM Cc1ccc(-c2noc(=NC3CC(N4CCC(C(F)(F)F)CC4)C3)[n-]2)cc1 ZINC000530378608 877675938 /nfs/dbraw/zinc/67/59/38/877675938.db2.gz DVBQCLVZYAPSFH-UHFFFAOYSA-N -1 3 380.414 3.684 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001212268773 877700323 /nfs/dbraw/zinc/70/03/23/877700323.db2.gz VOMYISISJGNZHM-UHFFFAOYSA-N -1 3 375.331 3.593 20 0 GHADHM CC(C)[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC000667013404 877735187 /nfs/dbraw/zinc/73/51/87/877735187.db2.gz ZILJMCDYMZVESS-SFHVURJKSA-N -1 3 393.915 3.840 20 0 GHADHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000451473157 878021360 /nfs/dbraw/zinc/02/13/60/878021360.db2.gz VKZJCXFCCKHFGF-AWEZNQCLSA-N -1 3 388.411 3.761 20 0 GHADHM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1 ZINC000788483731 878095757 /nfs/dbraw/zinc/09/57/57/878095757.db2.gz FOOIOQLDISKOOS-UHFFFAOYSA-N -1 3 384.841 3.636 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1Cl ZINC000788492450 878101877 /nfs/dbraw/zinc/10/18/77/878101877.db2.gz HDKKIDPZRRKFKQ-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc21 ZINC000068239383 878180323 /nfs/dbraw/zinc/18/03/23/878180323.db2.gz JAKLDPLULUMIRL-UHFFFAOYSA-N -1 3 393.468 3.589 20 0 GHADHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000537723144 878197628 /nfs/dbraw/zinc/19/76/28/878197628.db2.gz CKTAHMVBVZGZGN-HNNXBMFYSA-N -1 3 392.430 3.806 20 0 GHADHM O=S(=O)([N-]CCCC1CCOCC1)c1cccc(Cl)c1Br ZINC000451616242 878254155 /nfs/dbraw/zinc/25/41/55/878254155.db2.gz YVPZWXWPBSNESY-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CCOc1cc(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)cc(Cl)c1[O-] ZINC000788843792 878379253 /nfs/dbraw/zinc/37/92/53/878379253.db2.gz QVNKYWDZNOLDQJ-OAHLLOKOSA-N -1 3 393.867 3.511 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c1[O-] ZINC000530719122 878380033 /nfs/dbraw/zinc/38/00/33/878380033.db2.gz AYPOJWMWQLDCMX-HHHXNRCGSA-N -1 3 387.501 3.635 20 0 GHADHM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000451750031 878414694 /nfs/dbraw/zinc/41/46/94/878414694.db2.gz SWICTYFXPSKNSU-VXGBXAGGSA-N -1 3 376.881 3.542 20 0 GHADHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000451818597 878525816 /nfs/dbraw/zinc/52/58/16/878525816.db2.gz QBRPTKAYXRGYRU-FZMZJTMJSA-N -1 3 383.407 3.574 20 0 GHADHM CO[C@@H](C)c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cs1 ZINC000177150597 878579044 /nfs/dbraw/zinc/57/90/44/878579044.db2.gz BAFKDYAUPUQCSB-NSHDSACASA-N -1 3 399.501 3.565 20 0 GHADHM O=C([O-])C1CCC(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000852943677 878662683 /nfs/dbraw/zinc/66/26/83/878662683.db2.gz XKQBWNIODJKPTJ-UHFFFAOYSA-N -1 3 392.927 3.655 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(OCc3cccc4ccccc43)C2)c1 ZINC000530887453 878729405 /nfs/dbraw/zinc/72/94/05/878729405.db2.gz GVAKKKTWQPFZMP-UHFFFAOYSA-N -1 3 390.439 3.545 20 0 GHADHM C[C@@H](O)C[C@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000180308302 878763499 /nfs/dbraw/zinc/76/34/99/878763499.db2.gz BOUSOWBHEGQNSE-BXKDBHETSA-N -1 3 393.119 3.653 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)c2ccc(C)s2)cc1OC ZINC000068637849 878834920 /nfs/dbraw/zinc/83/49/20/878834920.db2.gz IVLBDUHUZFTDMF-GFCCVEGCSA-N -1 3 397.522 3.709 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000177859606 878891564 /nfs/dbraw/zinc/89/15/64/878891564.db2.gz XBZZYVDEUYCEIQ-UHFFFAOYSA-N -1 3 386.502 3.793 20 0 GHADHM COc1ccc(SCCC(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1OC ZINC000538222210 879042834 /nfs/dbraw/zinc/04/28/34/879042834.db2.gz XJANIGXBKYWNJW-UHFFFAOYSA-N -1 3 397.500 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2cc(Br)ccc2o1 ZINC000130085812 879082660 /nfs/dbraw/zinc/08/26/60/879082660.db2.gz BCOGXBWHHJNLBA-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cc(Br)ccc2o1 ZINC000130085812 879082670 /nfs/dbraw/zinc/08/26/70/879082670.db2.gz BCOGXBWHHJNLBA-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM Cc1c(NC(=O)c2nnc3ccccc3c2[O-])cccc1C(=O)Nc1ccccc1 ZINC000111590029 879278547 /nfs/dbraw/zinc/27/85/47/879278547.db2.gz YVOHRKTYPFMCID-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(C4CCCCC4)s3)nn2)c1 ZINC000789905854 879351777 /nfs/dbraw/zinc/35/17/77/879351777.db2.gz CRRXMNJBADOQCO-UHFFFAOYSA-N -1 3 386.456 3.866 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000493278044 879360094 /nfs/dbraw/zinc/36/00/94/879360094.db2.gz CDPMHZJDGKVBPL-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2ccnc3c(F)cccc23)n1 ZINC000853975806 879414004 /nfs/dbraw/zinc/41/40/04/879414004.db2.gz HQTVDUGYASYTOA-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1OC ZINC000617217436 879487088 /nfs/dbraw/zinc/48/70/88/879487088.db2.gz WHCMHKDPMUKQCO-UHFFFAOYSA-N -1 3 390.505 3.908 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3sccc3s2)cc1OC ZINC000617219726 879534453 /nfs/dbraw/zinc/53/44/53/879534453.db2.gz OXEDFWIDROJWDM-UHFFFAOYSA-N -1 3 396.515 3.985 20 0 GHADHM COc1ccc(-c2nc(CN3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cs2)cc1OC ZINC000263558291 879550414 /nfs/dbraw/zinc/55/04/14/879550414.db2.gz AETFONDVIMLHFQ-VBKZILBWSA-N -1 3 388.489 3.514 20 0 GHADHM CC(C)(C)c1ncc([N-]S(=O)(=O)CCc2ccccc2Br)cn1 ZINC000461339049 879638746 /nfs/dbraw/zinc/63/87/46/879638746.db2.gz NIVMXANPSGDPRX-UHFFFAOYSA-N -1 3 398.326 3.521 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc(C(F)(F)F)c3)nc21 ZINC000494071733 879894023 /nfs/dbraw/zinc/89/40/23/879894023.db2.gz HXZABTIDIODLKD-UHFFFAOYSA-N -1 3 381.285 3.760 20 0 GHADHM COc1ccc([C@H](O)C2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)cc1 ZINC000854570689 879910770 /nfs/dbraw/zinc/91/07/70/879910770.db2.gz BNTZYAQQHPAGDF-FQEVSTJZSA-N -1 3 387.501 3.709 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])ccc(Br)c2C)[nH]c2c1C(=O)CCC2 ZINC000452755734 879979469 /nfs/dbraw/zinc/97/94/69/879979469.db2.gz NQPDQTJGICJIDM-UHFFFAOYSA-N -1 3 377.238 3.871 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000184232620 880254650 /nfs/dbraw/zinc/25/46/50/880254650.db2.gz UBFSKDBVUIPDEB-CYBMUJFWSA-N -1 3 385.894 3.544 20 0 GHADHM Cc1ccnc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000791323542 880331879 /nfs/dbraw/zinc/33/18/79/880331879.db2.gz POLCXIJJDXPCQI-NRFANRHFSA-N -1 3 390.439 3.700 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000531703107 880332063 /nfs/dbraw/zinc/33/20/63/880332063.db2.gz HBMSMLOWSOGZRC-ZWNOBZJWSA-N -1 3 379.254 3.871 20 0 GHADHM O=C(COc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1)N1CCCC1 ZINC000791324229 880333026 /nfs/dbraw/zinc/33/30/26/880333026.db2.gz LFDMIYLAJJDJQZ-UHFFFAOYSA-N -1 3 396.468 3.860 20 0 GHADHM Cc1c(NC(=O)c2cc3sccc3c([O-])c2)cccc1C(=O)N1CCOCC1 ZINC000791333140 880337478 /nfs/dbraw/zinc/33/74/78/880337478.db2.gz VEKBPYXSZGYSEI-UHFFFAOYSA-N -1 3 396.468 3.640 20 0 GHADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000791361433 880371042 /nfs/dbraw/zinc/37/10/42/880371042.db2.gz ZEYRVNWSROXXLB-GFCCVEGCSA-N -1 3 376.478 3.688 20 0 GHADHM COc1cc(NCc2cc(=O)oc3c(C)c([O-])ccc23)ccc1N1CCCC1=O ZINC000010185005 880445263 /nfs/dbraw/zinc/44/52/63/880445263.db2.gz ASSZKVODUDITMA-UHFFFAOYSA-N -1 3 394.427 3.555 20 0 GHADHM CCCOc1nc(C)ccc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000791821802 880710169 /nfs/dbraw/zinc/71/01/69/880710169.db2.gz YHPKHOJEOQTUQF-UHFFFAOYSA-N -1 3 379.416 3.869 20 0 GHADHM Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)CO2 ZINC000186179970 880813085 /nfs/dbraw/zinc/81/30/85/880813085.db2.gz AUDJFPBBJGTWGO-CQSZACIVSA-N -1 3 376.250 3.564 20 0 GHADHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000173312161 880839346 /nfs/dbraw/zinc/83/93/46/880839346.db2.gz FVCRPIMSXAYXEJ-UHFFFAOYSA-N -1 3 395.834 3.622 20 0 GHADHM O=C(OCCCCCF)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000792204543 880985210 /nfs/dbraw/zinc/98/52/10/880985210.db2.gz ZQHFJQOTMCHBKY-UHFFFAOYSA-N -1 3 383.416 3.923 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792338729 881067816 /nfs/dbraw/zinc/06/78/16/881067816.db2.gz SGYAQDMJADUBCA-UHFFFAOYSA-N -1 3 382.460 3.842 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000132363577 881105878 /nfs/dbraw/zinc/10/58/78/881105878.db2.gz LGMHSBNVINGHFN-UHFFFAOYSA-N -1 3 396.259 3.837 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000132363577 881105886 /nfs/dbraw/zinc/10/58/86/881105886.db2.gz LGMHSBNVINGHFN-UHFFFAOYSA-N -1 3 396.259 3.837 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(N3CCCCC3)n2-c2ccccc2)n1 ZINC000532096081 881131076 /nfs/dbraw/zinc/13/10/76/881131076.db2.gz SCEUJGDAENOLJW-HNNXBMFYSA-N -1 3 396.520 3.915 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc(Cl)c1[O-] ZINC000792545047 881174201 /nfs/dbraw/zinc/17/42/01/881174201.db2.gz WXMJFGDTYPLAMN-UHFFFAOYSA-N -1 3 376.806 3.581 20 0 GHADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000187424381 881189760 /nfs/dbraw/zinc/18/97/60/881189760.db2.gz VMTDAKQDWBEQNL-LIRRHRJNSA-N -1 3 390.480 3.887 20 0 GHADHM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc([O-])c1Br ZINC001275210306 912655950 /nfs/dbraw/zinc/65/59/50/912655950.db2.gz RRBXAGQNEQKQBR-NWANDNLSSA-N -1 3 381.314 3.519 20 0 GHADHM CC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cc(C)ccc1OC ZINC000772803150 881272677 /nfs/dbraw/zinc/27/26/77/881272677.db2.gz GAVGHBSMYMEDPZ-QGZVFWFLSA-N -1 3 395.452 3.822 20 0 GHADHM O=c1nc(CN(CCO)Cc2cccc(F)c2)[n-]c2scc(-c3ccco3)c21 ZINC000494248765 881293048 /nfs/dbraw/zinc/29/30/48/881293048.db2.gz URHZKGWDOJJWMX-UHFFFAOYSA-N -1 3 399.447 3.791 20 0 GHADHM CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccccc2[O-])cc1 ZINC000120260917 881327547 /nfs/dbraw/zinc/32/75/47/881327547.db2.gz GWKNDZCSKJSZTR-UHFFFAOYSA-N -1 3 379.460 3.720 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)[n-]1 ZINC000476792485 883132157 /nfs/dbraw/zinc/13/21/57/883132157.db2.gz NNBFUOCFEXUXJN-UHFFFAOYSA-N -1 3 396.353 3.875 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129728170 883138166 /nfs/dbraw/zinc/13/81/66/883138166.db2.gz KSKZDTQFGZLQHF-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129728170 883138176 /nfs/dbraw/zinc/13/81/76/883138176.db2.gz KSKZDTQFGZLQHF-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(CC(N)=O)cc3)cc2)c1 ZINC000193320576 883220085 /nfs/dbraw/zinc/22/00/85/883220085.db2.gz JNKMAIYTUVARAT-UHFFFAOYSA-N -1 3 396.468 3.616 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@H]4CCCS4)n3)n[n-]2)c1 ZINC000551070886 883228700 /nfs/dbraw/zinc/22/87/00/883228700.db2.gz IGPADVRZOVVGLB-SNVBAGLBSA-N -1 3 378.255 3.852 20 0 GHADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)S(=O)(=O)c1cccc([O-])c1 ZINC000183993612 883295843 /nfs/dbraw/zinc/29/58/43/883295843.db2.gz MNPHLDNDFVPCPH-SNVBAGLBSA-N -1 3 398.362 3.996 20 0 GHADHM Cc1cccc2c1C[C@@H](c1nc(-c3cc(=O)[n-]cn3)no1)N2C(=O)OC(C)(C)C ZINC000858793785 883359259 /nfs/dbraw/zinc/35/92/59/883359259.db2.gz OXVVNYZGBGLULP-HNNXBMFYSA-N -1 3 395.419 3.580 20 0 GHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476925199 883406851 /nfs/dbraw/zinc/40/68/51/883406851.db2.gz NOJHMDJOQQPGQB-UHFFFAOYSA-N -1 3 383.311 3.933 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193707676 883442276 /nfs/dbraw/zinc/44/22/76/883442276.db2.gz KQYBZWXIRZAOPU-UHFFFAOYSA-N -1 3 398.271 3.663 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000135569781 883451190 /nfs/dbraw/zinc/45/11/90/883451190.db2.gz XGKVTODITFRCBG-UHFFFAOYSA-N -1 3 388.406 3.608 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000135569781 883451196 /nfs/dbraw/zinc/45/11/96/883451196.db2.gz XGKVTODITFRCBG-UHFFFAOYSA-N -1 3 388.406 3.608 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1nc(C(F)(F)F)cs1 ZINC000805020851 883536250 /nfs/dbraw/zinc/53/62/50/883536250.db2.gz ZYNNLBPKSARUGZ-MRVPVSSYSA-N -1 3 399.847 3.948 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1cnc(Cl)c(F)c1 ZINC000805051776 883563027 /nfs/dbraw/zinc/56/30/27/883563027.db2.gz ZPSJISWRPUWODM-UHFFFAOYSA-N -1 3 376.787 3.510 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286394732 912726113 /nfs/dbraw/zinc/72/61/13/912726113.db2.gz LEMUOQXCAZKYHU-BIENJYKASA-N -1 3 399.491 3.704 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3cn(C)c4ccccc34)cc2)n1 ZINC000186263603 883634519 /nfs/dbraw/zinc/63/45/19/883634519.db2.gz IOLMTFDSNMIKPW-OAHLLOKOSA-N -1 3 386.455 3.979 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3)c2)cc1F ZINC000475775639 883638126 /nfs/dbraw/zinc/63/81/26/883638126.db2.gz ULLBBGBHQREOBG-CQSZACIVSA-N -1 3 380.460 3.913 20 0 GHADHM COC(=O)[C@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001130107899 883659306 /nfs/dbraw/zinc/65/93/06/883659306.db2.gz CJSGXSWFVUWERQ-LBPRGKRZSA-N -1 3 392.240 3.635 20 0 GHADHM CC[C@@H](C)C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC001130153052 883755832 /nfs/dbraw/zinc/75/58/32/883755832.db2.gz VLDNBWCTEUQLAK-MFKMUULPSA-N -1 3 392.240 3.635 20 0 GHADHM CCOc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc(Cl)c1OC ZINC000551420938 883844447 /nfs/dbraw/zinc/84/44/47/883844447.db2.gz NNJUKGKCJZKCCT-FQEVSTJZSA-N -1 3 393.842 3.902 20 0 GHADHM Cc1ccc2sc(COC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])nc2c1 ZINC000859498232 883853565 /nfs/dbraw/zinc/85/35/65/883853565.db2.gz HQAJDERGCWJQAO-INIZCTEOSA-N -1 3 396.468 3.658 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C(C)C)cc2)cc1 ZINC000116710138 884037880 /nfs/dbraw/zinc/03/78/80/884037880.db2.gz XCMDTLYZPQWKNR-UHFFFAOYSA-N -1 3 390.505 3.643 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)[n-]1 ZINC000556189329 884048253 /nfs/dbraw/zinc/04/82/53/884048253.db2.gz DLUZGENVXOIXMI-UHFFFAOYSA-N -1 3 397.818 3.959 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000859792753 884066886 /nfs/dbraw/zinc/06/68/86/884066886.db2.gz FXXUUAMRIOMCTH-JEBQAFNWSA-N -1 3 382.803 3.725 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(F)c1 ZINC000102747640 884400259 /nfs/dbraw/zinc/40/02/59/884400259.db2.gz GCFFPSJYPRGXMK-UHFFFAOYSA-N -1 3 398.843 3.562 20 0 GHADHM CCc1nc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)co1 ZINC000556331937 884493913 /nfs/dbraw/zinc/49/39/13/884493913.db2.gz VKIUVZBYTFFEKZ-UHFFFAOYSA-N -1 3 387.197 3.502 20 0 GHADHM CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccc(C)cc1 ZINC000642323463 884525687 /nfs/dbraw/zinc/52/56/87/884525687.db2.gz AFJSKCNAFYQOQI-INIZCTEOSA-N -1 3 391.265 3.669 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)nc21 ZINC000537485138 884560660 /nfs/dbraw/zinc/56/06/60/884560660.db2.gz ITHLQBGYKZZTES-LLVKDONJSA-N -1 3 399.834 3.851 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000898217563 884636298 /nfs/dbraw/zinc/63/62/98/884636298.db2.gz NKNRLDMQDUUEBJ-QGZVFWFLSA-N -1 3 377.444 3.811 20 0 GHADHM Cc1cc(C(=O)Nc2cc(I)ccc2[O-])nn1C(C)(C)C ZINC000610491003 884656465 /nfs/dbraw/zinc/65/64/65/884656465.db2.gz POGABZAVYWCHON-UHFFFAOYSA-N -1 3 399.232 3.509 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(F)ccc1Br ZINC000130508435 884704867 /nfs/dbraw/zinc/70/48/67/884704867.db2.gz GSZPJSABCCICDH-UHFFFAOYSA-N -1 3 392.221 3.548 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000666308250 884705835 /nfs/dbraw/zinc/70/58/35/884705835.db2.gz BOFUVUAJFNFABA-UHFFFAOYSA-N -1 3 375.472 3.597 20 0 GHADHM C[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(Oc2cccnc2)cc1 ZINC000806554682 884806998 /nfs/dbraw/zinc/80/69/98/884806998.db2.gz XWDHYILOHMTESU-JTMDUIFQSA-N -1 3 385.423 3.836 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccc(O)cc2Cl)[nH][n-]1 ZINC000495239936 884926034 /nfs/dbraw/zinc/92/60/34/884926034.db2.gz LMRSYWAJNBDMJU-UHFFFAOYSA-N -1 3 392.242 3.701 20 0 GHADHM CNC(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000130391313 885044776 /nfs/dbraw/zinc/04/47/76/885044776.db2.gz RGLNIMKFUORLPU-UHFFFAOYSA-N -1 3 390.439 3.512 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806966333 885121789 /nfs/dbraw/zinc/12/17/89/885121789.db2.gz BTCPNXVNRBECIZ-LLVKDONJSA-N -1 3 399.825 3.898 20 0 GHADHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(F)c(F)c(F)c3)s2)c1 ZINC000107177756 885256739 /nfs/dbraw/zinc/25/67/39/885256739.db2.gz SHMDWZDLQRZDBC-UHFFFAOYSA-N -1 3 379.363 3.807 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccccc3C)n[n-]2)o1 ZINC000919329023 885346114 /nfs/dbraw/zinc/34/61/14/885346114.db2.gz KQGQFMUMYCDMTO-CABCVRRESA-N -1 3 381.432 3.709 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccccc3C)[n-]n2)o1 ZINC000919329023 885346134 /nfs/dbraw/zinc/34/61/34/885346134.db2.gz KQGQFMUMYCDMTO-CABCVRRESA-N -1 3 381.432 3.709 20 0 GHADHM CN(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000807711353 885685581 /nfs/dbraw/zinc/68/55/81/885685581.db2.gz NASKBVUJUZBBNF-MSOLQXFVSA-N -1 3 377.444 3.654 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807789259 885747971 /nfs/dbraw/zinc/74/79/71/885747971.db2.gz JBQNZTCFUDUTEY-KRWDZBQOSA-N -1 3 385.357 3.723 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2nc(NCc3ccco3)ncc2Cl)s1 ZINC000915110021 885758514 /nfs/dbraw/zinc/75/85/14/885758514.db2.gz USBBAEHKQGYEGG-UHFFFAOYSA-N -1 3 392.872 3.782 20 0 GHADHM CCN(Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1)C(=O)C(F)(F)F ZINC000915160536 885898615 /nfs/dbraw/zinc/89/86/15/885898615.db2.gz MZNHGJUXJBRQNB-UHFFFAOYSA-N -1 3 380.366 3.864 20 0 GHADHM Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2cccc([O-])c2F)cc1 ZINC000762316877 886004204 /nfs/dbraw/zinc/00/42/04/886004204.db2.gz HLOLOHDSBCMTFR-ZDUSSCGKSA-N -1 3 392.228 3.766 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)ccc1Cl ZINC000808116033 886026717 /nfs/dbraw/zinc/02/67/17/886026717.db2.gz DUKLDZNLCWLPPN-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM CC(C)OCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000109093242 886100220 /nfs/dbraw/zinc/10/02/20/886100220.db2.gz IUWZWIFGBKEDOR-LJQANCHMSA-N -1 3 382.460 3.561 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)c([O-])c1 ZINC001184132305 913018443 /nfs/dbraw/zinc/01/84/43/913018443.db2.gz RMGLWEANYBOXIE-UHFFFAOYSA-N -1 3 390.430 3.812 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)c2ccccc21 ZINC000808328214 886260452 /nfs/dbraw/zinc/26/04/52/886260452.db2.gz NATIQCCIGZTYOP-SNVBAGLBSA-N -1 3 381.860 3.714 20 0 GHADHM Cc1nc(C)c(CC(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCCC2)c(=O)[n-]1 ZINC000119230498 886543218 /nfs/dbraw/zinc/54/32/18/886543218.db2.gz VAXMVKWYGMKAEI-UHFFFAOYSA-N -1 3 395.547 3.855 20 0 GHADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000131778329 886544228 /nfs/dbraw/zinc/54/42/28/886544228.db2.gz NFXIAYHFBDYZRR-ZDUSSCGKSA-N -1 3 383.286 3.520 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000173475171 886554381 /nfs/dbraw/zinc/55/43/81/886554381.db2.gz KWICCAPPHUULAB-VGOFRKELSA-N -1 3 376.456 3.734 20 0 GHADHM O=C(CCCOc1ccccc1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158339816 886601223 /nfs/dbraw/zinc/60/12/23/886601223.db2.gz TXZDFJXZXMFVGZ-UHFFFAOYSA-N -1 3 379.416 3.564 20 0 GHADHM O=C(CCCOc1ccccc1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158339816 886601237 /nfs/dbraw/zinc/60/12/37/886601237.db2.gz TXZDFJXZXMFVGZ-UHFFFAOYSA-N -1 3 379.416 3.564 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000190999734 886639779 /nfs/dbraw/zinc/63/97/79/886639779.db2.gz HWRLNDHRZQMGAD-UHFFFAOYSA-N -1 3 394.251 3.959 20 0 GHADHM CSc1nc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)n[n-]1 ZINC000499077138 886651168 /nfs/dbraw/zinc/65/11/68/886651168.db2.gz NVHLCVDVUYMVSR-UHFFFAOYSA-N -1 3 377.520 3.836 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3cccc4ccccc43)n[n-]c21 ZINC000808672797 886669971 /nfs/dbraw/zinc/66/99/71/886669971.db2.gz GCGWBSAJPNGXSP-UHFFFAOYSA-N -1 3 375.384 3.520 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)Nc3cccc4ccccc43)[n-]nc21 ZINC000808672797 886669989 /nfs/dbraw/zinc/66/99/89/886669989.db2.gz GCGWBSAJPNGXSP-UHFFFAOYSA-N -1 3 375.384 3.520 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](Cc3ccc(Cl)cc3F)C(C)=O)n[n-]c21 ZINC000808674943 886672529 /nfs/dbraw/zinc/67/25/29/886672529.db2.gz RSXQMZPWQJYQCG-INIZCTEOSA-N -1 3 390.798 3.721 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](Cc3ccc(Cl)cc3F)C(C)=O)[n-]nc21 ZINC000808674943 886672531 /nfs/dbraw/zinc/67/25/31/886672531.db2.gz RSXQMZPWQJYQCG-INIZCTEOSA-N -1 3 390.798 3.721 20 0 GHADHM Cc1cccc2c(CCNC(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)c[nH]c21 ZINC000640291315 886718760 /nfs/dbraw/zinc/71/87/60/886718760.db2.gz AKBTUHHBCXIOLL-UHFFFAOYSA-N -1 3 399.804 3.675 20 0 GHADHM COc1ccc(OC(F)(F)F)cc1CNc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001168495247 887057405 /nfs/dbraw/zinc/05/74/05/887057405.db2.gz HQHQXOKOKJZQQV-UHFFFAOYSA-N -1 3 379.342 3.694 20 0 GHADHM COc1ccc(OC(F)(F)F)cc1CNc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001168495247 887057423 /nfs/dbraw/zinc/05/74/23/887057423.db2.gz HQHQXOKOKJZQQV-UHFFFAOYSA-N -1 3 379.342 3.694 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)cc1 ZINC000863405750 887090717 /nfs/dbraw/zinc/09/07/17/887090717.db2.gz GVBNWDZMIHIYRS-UHFFFAOYSA-N -1 3 378.450 3.763 20 0 GHADHM O=C1Nc2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc2CO1 ZINC000863422048 887094497 /nfs/dbraw/zinc/09/44/97/887094497.db2.gz MAYGOHZFRGCTRA-UHFFFAOYSA-N -1 3 388.445 3.871 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(Nc4cnn(C)c4)c3)c[n-]c12 ZINC000532659060 887195269 /nfs/dbraw/zinc/19/52/69/887195269.db2.gz MRNWQMFMKUNRST-UHFFFAOYSA-N -1 3 391.406 3.705 20 0 GHADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000153716982 887393654 /nfs/dbraw/zinc/39/36/54/887393654.db2.gz XLBIFZDXSVFNHX-ZDUSSCGKSA-N -1 3 384.382 3.736 20 0 GHADHM O=c1cc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)nc(C2CC2)[n-]1 ZINC000459349604 887548049 /nfs/dbraw/zinc/54/80/49/887548049.db2.gz FIAVIKYNPWJHJE-INIZCTEOSA-N -1 3 379.382 3.652 20 0 GHADHM CC(C)Cc1ncc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cn1 ZINC000794595229 887636749 /nfs/dbraw/zinc/63/67/49/887636749.db2.gz VKUJBHPIHVPVMC-BQYQJAHWSA-N -1 3 396.310 3.850 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c([O-])c1 ZINC000536620390 887681887 /nfs/dbraw/zinc/68/18/87/887681887.db2.gz AIRBBOKSEITIEI-UHFFFAOYSA-N -1 3 391.427 3.884 20 0 GHADHM Cc1ccnc(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])c1Br ZINC000864505968 887811719 /nfs/dbraw/zinc/81/17/19/887811719.db2.gz XROOSLPVMZNZFB-HNNXBMFYSA-N -1 3 377.282 3.576 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(C2CCCCC2)cc1 ZINC001211951104 887821856 /nfs/dbraw/zinc/82/18/56/887821856.db2.gz XCLGEKVJSCECIO-UHFFFAOYSA-N -1 3 381.929 3.908 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1C ZINC000614837804 887882496 /nfs/dbraw/zinc/88/24/96/887882496.db2.gz NFXKOCBPLXMMFS-SFHVURJKSA-N -1 3 391.489 3.671 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCOc2cccc(Cl)c2)c1 ZINC000055318675 888138760 /nfs/dbraw/zinc/13/87/60/888138760.db2.gz DWQSLMUXTVDNAI-UHFFFAOYSA-N -1 3 376.840 3.545 20 0 GHADHM Cc1ccc(-c2nc(CN3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)cs2)o1 ZINC000810067054 888153758 /nfs/dbraw/zinc/15/37/58/888153758.db2.gz SMFNWLMWKUZGNM-LBPRGKRZSA-N -1 3 387.427 3.602 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1C ZINC000055583866 888205853 /nfs/dbraw/zinc/20/58/53/888205853.db2.gz AHJOVHNOBPSRCS-GOSISDBHSA-N -1 3 391.489 3.671 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000729666260 888277506 /nfs/dbraw/zinc/27/75/06/888277506.db2.gz YGFAWFMXESNPHC-ATVHPVEESA-N -1 3 379.416 3.757 20 0 GHADHM CCC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)(C)C ZINC000454293037 888497341 /nfs/dbraw/zinc/49/73/41/888497341.db2.gz MSFYHXUSLDHOMU-INIZCTEOSA-N -1 3 385.530 3.793 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000543721968 888580228 /nfs/dbraw/zinc/58/02/28/888580228.db2.gz MNENQGUXLMQUEL-UHFFFAOYSA-N -1 3 397.410 3.980 20 0 GHADHM Cc1cc(C)cc(-c2ccc(CNCc3nc4c(c(=O)[n-]3)COCC4)cc2)c1 ZINC000865866110 888620899 /nfs/dbraw/zinc/62/08/99/888620899.db2.gz FGGNNPVIELHXOT-UHFFFAOYSA-N -1 3 375.472 3.829 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001132322715 888636124 /nfs/dbraw/zinc/63/61/24/888636124.db2.gz CEEIXXUQRYTFMP-CYBMUJFWSA-N -1 3 387.571 3.765 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3[C@H](O)c3ccccc3)nc2)n1 ZINC000866051458 888710202 /nfs/dbraw/zinc/71/02/02/888710202.db2.gz FKCBPHVCZPMKMV-GHTZIAJQSA-N -1 3 376.460 3.509 20 0 GHADHM CSc1[n-]nc(NC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CCC(C)=C[C@H]23)c1C(N)=O ZINC001184499504 913278051 /nfs/dbraw/zinc/27/80/51/913278051.db2.gz JWDHYNQQTJGFOU-MRLBHPIUSA-N -1 3 390.553 3.824 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](c2cccc(OC(C)C)c2)C(F)F)c(=O)[n-]1 ZINC000810804902 888882131 /nfs/dbraw/zinc/88/21/31/888882131.db2.gz LVPBPATUGLZUCX-QGZVFWFLSA-N -1 3 380.391 3.678 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](COc4ccccc4)C3)nc2)n1 ZINC000543727153 889054893 /nfs/dbraw/zinc/05/48/93/889054893.db2.gz PWDGLKUBKINMBP-INIZCTEOSA-N -1 3 376.460 3.712 20 0 GHADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000154028221 889073782 /nfs/dbraw/zinc/07/37/82/889073782.db2.gz OSUPPGBKBHTRGV-UHFFFAOYSA-N -1 3 397.884 3.727 20 0 GHADHM Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001132603412 889145934 /nfs/dbraw/zinc/14/59/34/889145934.db2.gz HNCDRLMOOSSVFC-UHFFFAOYSA-N -1 3 387.352 3.955 20 0 GHADHM CCO[C@H](C)c1nccn1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000124212964 889549734 /nfs/dbraw/zinc/54/97/34/889549734.db2.gz VDHJKXLSAIQVAL-CYBMUJFWSA-N -1 3 380.473 3.994 20 0 GHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000533017158 889563069 /nfs/dbraw/zinc/56/30/69/889563069.db2.gz OUDUTANUBXTYKF-UHFFFAOYSA-N -1 3 392.411 3.562 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001184699883 913368080 /nfs/dbraw/zinc/36/80/80/913368080.db2.gz ZGPZAFQMINUFFZ-AWEZNQCLSA-N -1 3 395.937 3.531 20 0 GHADHM Cc1cc(Br)cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811514067 889710495 /nfs/dbraw/zinc/71/04/95/889710495.db2.gz BBNSDCJCDOHFRJ-LBPRGKRZSA-N -1 3 393.247 3.648 20 0 GHADHM COc1cccc(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001184713920 913376366 /nfs/dbraw/zinc/37/63/66/913376366.db2.gz DRUORNXYYQTDGY-UHFFFAOYSA-N -1 3 396.262 3.682 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000125115850 889879764 /nfs/dbraw/zinc/87/97/64/889879764.db2.gz ICEUVQZOSJSKFE-UHFFFAOYSA-N -1 3 397.397 3.547 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnc(Cc2ccccc2)s1 ZINC000125201385 889907219 /nfs/dbraw/zinc/90/72/19/889907219.db2.gz QYQPTLUSVOHQFI-UHFFFAOYSA-N -1 3 379.470 3.900 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC000811878757 890082082 /nfs/dbraw/zinc/08/20/82/890082082.db2.gz NNQVHBCSPOIXEZ-RDJZCZTQSA-N -1 3 399.457 3.792 20 0 GHADHM O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(Br)cc1[O-] ZINC000125984528 890309802 /nfs/dbraw/zinc/30/98/02/890309802.db2.gz RJOLJYGRIGKQPR-UHFFFAOYSA-N -1 3 394.250 3.838 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2cc(OCc3ccccc3)ccn2)n1 ZINC000870626319 890450598 /nfs/dbraw/zinc/45/05/98/890450598.db2.gz GTNOMEOHVLBKMI-UHFFFAOYSA-N -1 3 384.461 3.646 20 0 GHADHM O=C(CCc1nc2cc(Br)ccc2s1)[N-]OC/C=C\Cl ZINC000812401115 890585003 /nfs/dbraw/zinc/58/50/03/890585003.db2.gz VIFIODBETOWMDL-BHQIHCQQSA-N -1 3 375.675 3.792 20 0 GHADHM CC(C)[C@H]1N(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC12CCC2 ZINC000455243560 890585041 /nfs/dbraw/zinc/58/50/41/890585041.db2.gz IPTWZWLBMAQHRI-OAHLLOKOSA-N -1 3 377.286 3.561 20 0 GHADHM Cc1ccccc1[C@H](C)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000871075823 890636049 /nfs/dbraw/zinc/63/60/49/890636049.db2.gz ZNKSMHGHXYZNCN-KRWDZBQOSA-N -1 3 390.487 3.601 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)c1nc(-c2ccc(Cl)cc2)no1 ZINC000812502770 890685545 /nfs/dbraw/zinc/68/55/45/890685545.db2.gz ORXKIYPESAJZFY-WHENESEISA-N -1 3 395.912 3.951 20 0 GHADHM CSCCCCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315387 890750124 /nfs/dbraw/zinc/75/01/24/890750124.db2.gz HXOPLZBJYHUIFB-ZDUSSCGKSA-N -1 3 388.455 3.719 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(C(F)(F)F)c1)c1cccnc1Cl ZINC001184889465 913484555 /nfs/dbraw/zinc/48/45/55/913484555.db2.gz NFNZOGQLVWXBPD-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)ccc2Br)c(=O)[n-]1 ZINC000812579249 890768071 /nfs/dbraw/zinc/76/80/71/890768071.db2.gz LTTUBUXCPDPUGE-UHFFFAOYSA-N -1 3 385.645 3.501 20 0 GHADHM O=C(OCc1cncc(C(F)(F)F)c1)c1cccc(Br)c1[O-] ZINC000812585452 890773090 /nfs/dbraw/zinc/77/30/90/890773090.db2.gz HIPOIHSQPHECJW-UHFFFAOYSA-N -1 3 376.128 3.926 20 0 GHADHM CN(C)c1nc2ccc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)cc2o1 ZINC000127127905 890905718 /nfs/dbraw/zinc/90/57/18/890905718.db2.gz VBOXSMKPVGAFFN-UHFFFAOYSA-N -1 3 399.394 3.855 20 0 GHADHM O=c1[n-]c(SCC[C@@H](O)c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000795182970 890962435 /nfs/dbraw/zinc/96/24/35/890962435.db2.gz GLPGSXAGTZVNHA-QGZVFWFLSA-N -1 3 378.457 3.737 20 0 GHADHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000105944318 890983149 /nfs/dbraw/zinc/98/31/49/890983149.db2.gz WWEHBAGFGNOKMH-UHFFFAOYSA-N -1 3 389.477 3.940 20 0 GHADHM CC(C)OCCO[N-]C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000812808323 891000692 /nfs/dbraw/zinc/00/06/92/891000692.db2.gz CPNOKUSIAZLVNF-UHFFFAOYSA-N -1 3 396.443 3.700 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)c([O-])c1 ZINC000127369638 891025208 /nfs/dbraw/zinc/02/52/08/891025208.db2.gz DRRZIAHMYKPARH-UHFFFAOYSA-N -1 3 399.834 3.875 20 0 GHADHM C[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc([O-])c1F ZINC000872071014 891138155 /nfs/dbraw/zinc/13/81/55/891138155.db2.gz YPFQCTADGWAECF-MCMMXHMISA-N -1 3 397.450 3.607 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000825625739 891340472 /nfs/dbraw/zinc/34/04/72/891340472.db2.gz CRISPOHKDAIUKU-UHFFFAOYSA-N -1 3 395.467 3.528 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000825625739 891340488 /nfs/dbraw/zinc/34/04/88/891340488.db2.gz CRISPOHKDAIUKU-UHFFFAOYSA-N -1 3 395.467 3.528 20 0 GHADHM CCN(CC)[C@@H](CN=c1[n-]nc(C(F)F)o1)c1ccc(C(F)(F)F)cc1 ZINC000644935278 913553803 /nfs/dbraw/zinc/55/38/03/913553803.db2.gz MIZZSKQDMHEIEA-LBPRGKRZSA-N -1 3 378.345 3.943 20 0 GHADHM CN(CCOc1ccccc1C(=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249051108 891490922 /nfs/dbraw/zinc/49/09/22/891490922.db2.gz WTJBHJABCBCWFL-SJLPKXTDSA-N -1 3 396.270 3.661 20 0 GHADHM O=c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccc([O-])cc2o1 ZINC000008318528 891518902 /nfs/dbraw/zinc/51/89/02/891518902.db2.gz CCHVIYFFWAYIKH-GOSISDBHSA-N -1 3 379.412 3.607 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)n(C3CCCCC3)n2)s1 ZINC000825694481 891789664 /nfs/dbraw/zinc/78/96/64/891789664.db2.gz QWCPBKYMRSSYLY-UHFFFAOYSA-N -1 3 385.497 3.753 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)n(C3CCCCC3)n2)s1 ZINC000825694481 891789681 /nfs/dbraw/zinc/78/96/81/891789681.db2.gz QWCPBKYMRSSYLY-UHFFFAOYSA-N -1 3 385.497 3.753 20 0 GHADHM CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000917359610 891876976 /nfs/dbraw/zinc/87/69/76/891876976.db2.gz ALVVIEJRFWLRTR-LLVKDONJSA-N -1 3 395.352 3.846 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2F)o1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497565660 891901036 /nfs/dbraw/zinc/90/10/36/891901036.db2.gz ZMXMQWAVMOTIMF-UHFFFAOYSA-N -1 3 376.391 3.864 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@H]2CCCC2(F)F)CC1 ZINC000813731121 891908307 /nfs/dbraw/zinc/90/83/07/891908307.db2.gz RHGNUZGBEHTLRO-LBPRGKRZSA-N -1 3 382.398 3.573 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)OC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000813870682 892050525 /nfs/dbraw/zinc/05/05/25/892050525.db2.gz FIKXDXYDRVLKKL-UHFFFAOYSA-N -1 3 375.380 3.894 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000917604745 892274409 /nfs/dbraw/zinc/27/44/09/892274409.db2.gz XYXHYONHTJFGFE-QAIWHXNASA-N -1 3 378.472 3.696 20 0 GHADHM O=C1[N-]C(=O)C(=CNCCc2ccc(OCc3ccccc3)cc2)c2ccccc21 ZINC000917604997 892275704 /nfs/dbraw/zinc/27/57/04/892275704.db2.gz RVDIWSCDBTYADL-XQNSMLJCSA-N -1 3 398.462 3.709 20 0 GHADHM O=C(Cc1cc(Cl)cc2c1OCC2)Nc1ccc(Br)cc1[O-] ZINC000542609342 892283772 /nfs/dbraw/zinc/28/37/72/892283772.db2.gz DZCLTCPYFKPEFH-UHFFFAOYSA-N -1 3 382.641 3.924 20 0 GHADHM CCOC(=O)c1coc2cc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)ccc12 ZINC001185138058 913657853 /nfs/dbraw/zinc/65/78/53/913657853.db2.gz XTFUPKPZGANDIF-UHFFFAOYSA-N -1 3 395.383 3.830 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)ccc1F ZINC000917735912 892448236 /nfs/dbraw/zinc/44/82/36/892448236.db2.gz JKNZGOVBJSCLKZ-UHFFFAOYSA-N -1 3 395.452 3.838 20 0 GHADHM CC(=O)Nc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC000162516916 892645336 /nfs/dbraw/zinc/64/53/36/892645336.db2.gz AFUKPKLNMXNPSG-UHFFFAOYSA-N -1 3 392.253 3.743 20 0 GHADHM COc1cc(C(=O)N(C)Cc2cc(Br)ccc2F)cc(OC)c1[O-] ZINC000162578404 892798512 /nfs/dbraw/zinc/79/85/12/892798512.db2.gz XNIWLHVMYOSHHH-UHFFFAOYSA-N -1 3 398.228 3.583 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1ccc(Cl)cc1C(F)(F)F ZINC000917920133 892820593 /nfs/dbraw/zinc/82/05/93/892820593.db2.gz HOHANOMRQPHVHZ-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(Cl)c2)cc1 ZINC000125636480 892844063 /nfs/dbraw/zinc/84/40/63/892844063.db2.gz YLGCFEISWMMOHT-UHFFFAOYSA-N -1 3 398.937 3.703 20 0 GHADHM [O-]c1cccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1Cl ZINC000645150256 913708459 /nfs/dbraw/zinc/70/84/59/913708459.db2.gz AJXSGYNTTAASDN-CYBMUJFWSA-N -1 3 375.774 3.594 20 0 GHADHM O=C1[C@H](NCc2cccc([O-])c2Cl)CCN1c1ccc(C(F)(F)F)cc1 ZINC000645155890 913713245 /nfs/dbraw/zinc/71/32/45/913713245.db2.gz WJWBDIUHYCLISO-CQSZACIVSA-N -1 3 384.785 3.960 20 0 GHADHM Cc1c(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cnn1[C@H]1CCOC1 ZINC000562940426 893193303 /nfs/dbraw/zinc/19/33/03/893193303.db2.gz WSMOCVMIGZLBSM-SFHVURJKSA-N -1 3 377.444 3.702 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1ccc(-c2cnco2)cc1 ZINC001185232642 913746321 /nfs/dbraw/zinc/74/63/21/913746321.db2.gz IWNJIBXLKIUDSW-UHFFFAOYSA-N -1 3 395.234 3.611 20 0 GHADHM COc1ccc(C2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CC2)cc1 ZINC000933888345 893283661 /nfs/dbraw/zinc/28/36/61/893283661.db2.gz GNUVPVYOUPHTMY-UHFFFAOYSA-N -1 3 398.409 3.835 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cnc(Cl)c(Cl)c3)nc21 ZINC001134753783 893288646 /nfs/dbraw/zinc/28/86/46/893288646.db2.gz WRLBHQNNFLEFFM-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1n[n-]c(SC)n1)OCC3 ZINC000533890774 893411383 /nfs/dbraw/zinc/41/13/83/893411383.db2.gz ILPNTPRSCBPPSG-FQEVSTJZSA-N -1 3 399.520 3.777 20 0 GHADHM CCOC(=O)c1sc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)nc1C ZINC000459404465 893436792 /nfs/dbraw/zinc/43/67/92/893436792.db2.gz MGZVANHVNCMVCT-ZDUSSCGKSA-N -1 3 398.488 3.642 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000815184623 893528973 /nfs/dbraw/zinc/52/89/73/893528973.db2.gz FNOJOBZICMDXSF-YMTOWFKASA-N -1 3 385.222 3.980 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)Cc1ccccc1 ZINC000069603899 893607433 /nfs/dbraw/zinc/60/74/33/893607433.db2.gz ZSHVFKHZFWWMTE-LBPRGKRZSA-N -1 3 393.361 3.506 20 0 GHADHM O=C1CCCN1CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000288499751 913786942 /nfs/dbraw/zinc/78/69/42/913786942.db2.gz XCKBOWKXKPRYGP-UHFFFAOYSA-N -1 3 375.475 3.513 20 0 GHADHM COCc1ccc(COC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000815235357 893650958 /nfs/dbraw/zinc/65/09/58/893650958.db2.gz SZHXERZGSGOOAO-UHFFFAOYSA-N -1 3 398.196 3.500 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1 ZINC000536723404 893661057 /nfs/dbraw/zinc/66/10/57/893661057.db2.gz SISGLODKIJOPHW-UHFFFAOYSA-N -1 3 378.384 3.544 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cccc([O-])c1Br ZINC000459545907 893772766 /nfs/dbraw/zinc/77/27/66/893772766.db2.gz QBXFVMIYDFHSPJ-AWEZNQCLSA-N -1 3 391.309 3.806 20 0 GHADHM CCS(=O)(=O)Cc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459556507 893801892 /nfs/dbraw/zinc/80/18/92/893801892.db2.gz ADIBZNWSNHNHPR-UHFFFAOYSA-N -1 3 384.295 3.702 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3[O-])o2)c(OC)c1 ZINC000877906707 893885149 /nfs/dbraw/zinc/88/51/49/893885149.db2.gz URKQIFROFUEHSV-KRWDZBQOSA-N -1 3 381.432 3.797 20 0 GHADHM CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1[N-]C(=O)c1cnsn1 ZINC000918556541 893923899 /nfs/dbraw/zinc/92/38/99/893923899.db2.gz VSPOCMPYOVZQHV-UHFFFAOYSA-N -1 3 389.458 3.704 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)o1 ZINC000878088148 894004348 /nfs/dbraw/zinc/00/43/48/894004348.db2.gz HJJFWLGHAZWRJO-HXUWFJFHSA-N -1 3 383.423 3.527 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000129836843 894005234 /nfs/dbraw/zinc/00/52/34/894005234.db2.gz VGTAZIMEGPTSAZ-CYBMUJFWSA-N -1 3 391.406 3.665 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1F ZINC000536903502 894075908 /nfs/dbraw/zinc/07/59/08/894075908.db2.gz FRXQZUVDOCQSIE-GOEBONIOSA-N -1 3 391.798 3.566 20 0 GHADHM CCCOc1ccc2c(c1)CCN(C(=O)c1c[n-]c3cc(F)c(F)cc3c1=O)C2 ZINC000934996512 894101018 /nfs/dbraw/zinc/10/10/18/894101018.db2.gz MRSAVUNZOWAYIS-UHFFFAOYSA-N -1 3 398.409 3.794 20 0 GHADHM CC[C@H](CSC)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000536924376 894137382 /nfs/dbraw/zinc/13/73/82/894137382.db2.gz IRAVECNXUOYDRR-LLVKDONJSA-N -1 3 383.311 3.504 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)Oc3ccc(C)cc3)nc(=O)c2c1C ZINC000022618517 894174243 /nfs/dbraw/zinc/17/42/43/894174243.db2.gz PFLGQGSZJHFIPE-STQMWFEESA-N -1 3 386.473 3.982 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)COc3c(C)cccc3C)nc(=O)c2c1C ZINC000022618873 894175829 /nfs/dbraw/zinc/17/58/29/894175829.db2.gz XKQAACSCFKKAKA-CYBMUJFWSA-N -1 3 386.473 3.901 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(NC(=O)C(C)C)c1)c2=O ZINC000537023070 894228667 /nfs/dbraw/zinc/22/86/67/894228667.db2.gz JRCYTQLATRBREL-UHFFFAOYSA-N -1 3 397.406 3.523 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000563848109 894257558 /nfs/dbraw/zinc/25/75/58/894257558.db2.gz WGLCQXZNMMQLPN-UHFFFAOYSA-N -1 3 378.450 3.580 20 0 GHADHM CN1CCc2ccc(NC(=O)c3ccccc3-c3ccccc3-c3nnn[n-]3)cc21 ZINC000826044203 894316714 /nfs/dbraw/zinc/31/67/14/894316714.db2.gz CDIQMMRKBPYGEH-UHFFFAOYSA-N -1 3 396.454 3.778 20 0 GHADHM CN1CCc2ccc(NC(=O)c3ccccc3-c3ccccc3-c3nn[n-]n3)cc21 ZINC000826044203 894316732 /nfs/dbraw/zinc/31/67/32/894316732.db2.gz CDIQMMRKBPYGEH-UHFFFAOYSA-N -1 3 396.454 3.778 20 0 GHADHM COC(=O)[C@@H](C)Sc1ccccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537121713 894342645 /nfs/dbraw/zinc/34/26/45/894342645.db2.gz JGMCVZPOCJMLPT-CQSZACIVSA-N -1 3 395.484 3.713 20 0 GHADHM COc1ccc2c(c1)OC(C)(C)CN(Cc1nnc(-c3ccccc3[O-])o1)C2 ZINC000878723729 894537582 /nfs/dbraw/zinc/53/75/82/894537582.db2.gz QAVVXLPHRGCTSX-UHFFFAOYSA-N -1 3 381.432 3.624 20 0 GHADHM Cc1cc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)co1 ZINC000816241414 894644028 /nfs/dbraw/zinc/64/40/28/894644028.db2.gz RZBUQFGVTSCQQC-UHFFFAOYSA-N -1 3 389.404 3.885 20 0 GHADHM CC[C@H](C)N[C@@H](CNC(=O)c1cccc(Br)c1[O-])c1ccco1 ZINC000564244999 894763836 /nfs/dbraw/zinc/76/38/36/894763836.db2.gz QQQGMQOWXLGYDW-FZMZJTMJSA-N -1 3 381.270 3.607 20 0 GHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2[nH]1 ZINC000537396373 894895382 /nfs/dbraw/zinc/89/53/82/894895382.db2.gz DVMXYSDMLMYWDJ-UHFFFAOYSA-N -1 3 392.864 3.553 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ncc(NCc3c(F)ccc([O-])c3F)cc2C1 ZINC000816560520 894944331 /nfs/dbraw/zinc/94/43/31/894944331.db2.gz QZUNOPWYRKCCCF-UHFFFAOYSA-N -1 3 391.418 3.971 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)OCCc2sccc21 ZINC000564408900 894948450 /nfs/dbraw/zinc/94/84/50/894948450.db2.gz CHCIPDIUZRKZJK-OAHLLOKOSA-N -1 3 392.329 3.821 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3c(F)ccc([O-])c3F)C[C@H]21 ZINC000816567630 894948907 /nfs/dbraw/zinc/94/89/07/894948907.db2.gz HUARVRMXIHCYPT-WOSRLPQWSA-N -1 3 382.451 3.796 20 0 GHADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000816735049 895032421 /nfs/dbraw/zinc/03/24/21/895032421.db2.gz PUTARVLQQGOYEM-UHFFFAOYSA-N -1 3 396.878 3.730 20 0 GHADHM COc1ccc(CCN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])cc1 ZINC000564577041 895093681 /nfs/dbraw/zinc/09/36/81/895093681.db2.gz NKBYAJDTTXPYEW-SFHVURJKSA-N -1 3 390.277 3.512 20 0 GHADHM NC(=O)c1ccc(CN(C(=O)c2cc3sccc3c([O-])c2)C2CC2)c(F)c1 ZINC000816810328 895105029 /nfs/dbraw/zinc/10/50/29/895105029.db2.gz IDQGCAIBVOADKH-UHFFFAOYSA-N -1 3 384.432 3.650 20 0 GHADHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccc(Br)cc2)n[nH]1 ZINC000760323479 895189484 /nfs/dbraw/zinc/18/94/84/895189484.db2.gz PWYHCOCVBFKOQM-MDZDMXLPSA-N -1 3 384.299 3.927 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000816907709 895195555 /nfs/dbraw/zinc/19/55/55/895195555.db2.gz DGRZFYYMROZFKH-HOTGVXAUSA-N -1 3 388.439 3.623 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000817058138 895295786 /nfs/dbraw/zinc/29/57/86/895295786.db2.gz IBNFFUCZOUVKSK-CQSZACIVSA-N -1 3 385.876 3.996 20 0 GHADHM COCC1(C(=O)[O-])CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000565112362 895391840 /nfs/dbraw/zinc/39/18/40/895391840.db2.gz KQGWZHFTPOLUJZ-UHFFFAOYSA-N -1 3 378.321 3.899 20 0 GHADHM CCc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cnn1-c1cccc(C)c1 ZINC000565153478 895427720 /nfs/dbraw/zinc/42/77/20/895427720.db2.gz USGUKAOFUCOFML-UHFFFAOYSA-N -1 3 377.370 3.870 20 0 GHADHM O=c1nc(CN2CCO[C@H](C(F)(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000880048252 895477981 /nfs/dbraw/zinc/47/79/81/895477981.db2.gz KJEUMQJDXVJGLF-LBPRGKRZSA-N -1 3 399.394 3.810 20 0 GHADHM O=C(Cc1cc2ccccc2s1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000565344351 895551038 /nfs/dbraw/zinc/55/10/38/895551038.db2.gz KLPCYRMYKYGZNQ-UHFFFAOYSA-N -1 3 394.496 3.570 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)(C)C)coc1C(=O)N(C)C ZINC000645586621 913983807 /nfs/dbraw/zinc/98/38/07/913983807.db2.gz RYXOSKNEWAJEFR-SFHVURJKSA-N -1 3 392.521 3.664 20 0 GHADHM CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(C(C)=O)c3[O-])c2C1 ZINC000565482149 895666388 /nfs/dbraw/zinc/66/63/88/895666388.db2.gz HRAUUOQIXRWFLS-UHFFFAOYSA-N -1 3 389.455 3.773 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000826169949 895734546 /nfs/dbraw/zinc/73/45/46/895734546.db2.gz KIUOBERIWDAQKR-OAQYLSRUSA-N -1 3 389.434 3.894 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000880513141 895736712 /nfs/dbraw/zinc/73/67/12/895736712.db2.gz YFFDXXPQXDSJNO-LSDHHAIUSA-N -1 3 377.897 3.715 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c([O-])c1 ZINC000817739751 895857169 /nfs/dbraw/zinc/85/71/69/895857169.db2.gz ZSNZNHJIWOXMNU-CALCHBBNSA-N -1 3 388.508 3.674 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nnc([C@H]2CCCO2)s1 ZINC000880885291 895963200 /nfs/dbraw/zinc/96/32/00/895963200.db2.gz CBYXMOHLBZLZIX-LLVKDONJSA-N -1 3 388.371 3.662 20 0 GHADHM Nc1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c([O-])c1 ZINC000817997734 895982644 /nfs/dbraw/zinc/98/26/44/895982644.db2.gz WJRRGBUVKGQQCK-UHFFFAOYSA-N -1 3 380.473 3.513 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(c3cccc(F)c3F)CC2)c1 ZINC000566074583 896092173 /nfs/dbraw/zinc/09/21/73/896092173.db2.gz PDWVLVHLOOEVME-HXUWFJFHSA-N -1 3 391.414 3.987 20 0 GHADHM Cc1cc2c(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)csc2s1 ZINC001136144953 896169084 /nfs/dbraw/zinc/16/90/84/896169084.db2.gz MOTJZNBLWVZLOW-UHFFFAOYSA-N -1 3 380.516 3.824 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000566280520 896213728 /nfs/dbraw/zinc/21/37/28/896213728.db2.gz SPCDTOIQRQNVCJ-UHFFFAOYSA-N -1 3 376.250 3.969 20 0 GHADHM C[C@@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000566366654 896260308 /nfs/dbraw/zinc/26/03/08/896260308.db2.gz HGCYIRMJCNDFJG-MJEQTWJJSA-N -1 3 382.298 3.712 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)o1 ZINC000566554671 896376390 /nfs/dbraw/zinc/37/63/90/896376390.db2.gz AGYVRYJEAQSRFC-JOYOIKCWSA-N -1 3 375.368 3.622 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000826218858 896395375 /nfs/dbraw/zinc/39/53/75/896395375.db2.gz MQDYYTSGFNJRTP-XOBRGWDASA-N -1 3 375.432 3.909 20 0 GHADHM COc1ccccc1[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000826218858 896395391 /nfs/dbraw/zinc/39/53/91/896395391.db2.gz MQDYYTSGFNJRTP-XOBRGWDASA-N -1 3 375.432 3.909 20 0 GHADHM CSc1ccc(C)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826230143 896551591 /nfs/dbraw/zinc/55/15/91/896551591.db2.gz GPBCQXLQLSSXHF-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM CSc1ccc(C)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826230143 896551603 /nfs/dbraw/zinc/55/16/03/896551603.db2.gz GPBCQXLQLSSXHF-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nnn[n-]1 ZINC000826238444 896594249 /nfs/dbraw/zinc/59/42/49/896594249.db2.gz GHPAABHTZDGUNM-QGZVFWFLSA-N -1 3 398.854 3.558 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nn[n-]n1 ZINC000826238444 896594259 /nfs/dbraw/zinc/59/42/59/896594259.db2.gz GHPAABHTZDGUNM-QGZVFWFLSA-N -1 3 398.854 3.558 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000826254641 896741427 /nfs/dbraw/zinc/74/14/27/896741427.db2.gz VFZGZBSLWLLBQG-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000826254641 896741432 /nfs/dbraw/zinc/74/14/32/896741432.db2.gz VFZGZBSLWLLBQG-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1C1CCCCC1 ZINC000826260457 896748542 /nfs/dbraw/zinc/74/85/42/896748542.db2.gz OOAHABIKVGOIHX-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1C1CCCCC1 ZINC000826260457 896748545 /nfs/dbraw/zinc/74/85/45/896748545.db2.gz OOAHABIKVGOIHX-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826277834 896863791 /nfs/dbraw/zinc/86/37/91/896863791.db2.gz IRFURDQKOGPBCS-OAHLLOKOSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000826277834 896863808 /nfs/dbraw/zinc/86/38/08/896863808.db2.gz IRFURDQKOGPBCS-OAHLLOKOSA-N -1 3 398.854 3.864 20 0 GHADHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000130066080 896971137 /nfs/dbraw/zinc/97/11/37/896971137.db2.gz COVFIXPVQLPGOM-UHFFFAOYSA-N -1 3 379.898 3.891 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(F)c(F)c([O-])c1F ZINC000820009284 897083848 /nfs/dbraw/zinc/08/38/48/897083848.db2.gz DSOHAPLVEIUILD-CZUORRHYSA-N -1 3 376.378 3.566 20 0 GHADHM CC(C)CC1(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000820063793 897115286 /nfs/dbraw/zinc/11/52/86/897115286.db2.gz ZDUQOFYVMZPXPP-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM CCCc1c([N-]S(=O)(=O)CCc2cccs2)cnn1-c1cc(C)ccn1 ZINC000567530739 897230377 /nfs/dbraw/zinc/23/03/77/897230377.db2.gz IAYDSSBZSODTSS-UHFFFAOYSA-N -1 3 390.534 3.574 20 0 GHADHM Cc1cccc(CN(Cc2cc(-c3nnn[n-]3)cs2)Cc2ccccn2)c1 ZINC000826298334 897239306 /nfs/dbraw/zinc/23/93/06/897239306.db2.gz OFKPVPPZPASLCM-UHFFFAOYSA-N -1 3 376.489 3.834 20 0 GHADHM Cc1cccc(CN(Cc2cc(-c3nn[n-]n3)cs2)Cc2ccccn2)c1 ZINC000826298334 897239319 /nfs/dbraw/zinc/23/93/19/897239319.db2.gz OFKPVPPZPASLCM-UHFFFAOYSA-N -1 3 376.489 3.834 20 0 GHADHM Cc1cccnc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826308242 897393338 /nfs/dbraw/zinc/39/33/38/897393338.db2.gz PROYVATWCGVHTH-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cccnc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826308242 897393352 /nfs/dbraw/zinc/39/33/52/897393352.db2.gz PROYVATWCGVHTH-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM O=C([N-]c1nc2c(s1)CC1(CCOCC1)CC2)c1cc(-c2ccccn2)no1 ZINC000568039881 897551805 /nfs/dbraw/zinc/55/18/05/897551805.db2.gz IEVMUFNTEYEGIR-UHFFFAOYSA-N -1 3 396.472 3.731 20 0 GHADHM COC(=O)c1cnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c(Cl)c1 ZINC000820798927 897558655 /nfs/dbraw/zinc/55/86/55/897558655.db2.gz QABYQJMRGPBPAL-SREVYHEPSA-N -1 3 387.244 3.588 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820988615 897655979 /nfs/dbraw/zinc/65/59/79/897655979.db2.gz GUYIXFNICSHOQR-BEFAXECRSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820988615 897655990 /nfs/dbraw/zinc/65/59/90/897655990.db2.gz GUYIXFNICSHOQR-BEFAXECRSA-N -1 3 376.464 3.914 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccc(F)cc1 ZINC000821304566 897833257 /nfs/dbraw/zinc/83/32/57/897833257.db2.gz LDTWVPUIWDYCDF-UHFFFAOYSA-N -1 3 386.456 3.559 20 0 GHADHM COCCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H](C)c1ccccc1 ZINC001136454835 897900888 /nfs/dbraw/zinc/90/08/88/897900888.db2.gz MJWXGQGYKOKHPS-CYBMUJFWSA-N -1 3 386.398 3.656 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c21 ZINC000821492664 897931253 /nfs/dbraw/zinc/93/12/53/897931253.db2.gz SLESCGDXLLBORO-UHFFFAOYSA-N -1 3 380.839 3.745 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c21 ZINC000821492664 897931266 /nfs/dbraw/zinc/93/12/66/897931266.db2.gz SLESCGDXLLBORO-UHFFFAOYSA-N -1 3 380.839 3.745 20 0 GHADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC001136469674 897959044 /nfs/dbraw/zinc/95/90/44/897959044.db2.gz JFAOPINOPUDYNW-ZDUSSCGKSA-N -1 3 380.510 3.634 20 0 GHADHM Clc1cccc(SCc2nc(-c3cccs3)n[nH]2)c1-c1nnn[n-]1 ZINC000826353202 897995879 /nfs/dbraw/zinc/99/58/79/897995879.db2.gz GDYDDYMIBVYIJX-UHFFFAOYSA-N -1 3 375.870 3.659 20 0 GHADHM Clc1cccc(SCc2nc(-c3cccs3)n[nH]2)c1-c1nn[n-]n1 ZINC000826353202 897995887 /nfs/dbraw/zinc/99/58/87/897995887.db2.gz GDYDDYMIBVYIJX-UHFFFAOYSA-N -1 3 375.870 3.659 20 0 GHADHM Clc1cscc1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826353956 898012589 /nfs/dbraw/zinc/01/25/89/898012589.db2.gz KSXSURPSRZNTMQ-UHFFFAOYSA-N -1 3 375.885 3.625 20 0 GHADHM Cc1coc2ccc(NC(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)cc12 ZINC000289515738 914218426 /nfs/dbraw/zinc/21/84/26/914218426.db2.gz ANQONIHEHFNANU-LBPRGKRZSA-N -1 3 383.370 3.664 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c(Cl)c1 ZINC000568805119 898116024 /nfs/dbraw/zinc/11/60/24/898116024.db2.gz NVAQCKCFGFHXIK-UHFFFAOYSA-N -1 3 381.759 3.890 20 0 GHADHM FC(F)(F)c1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)cc1 ZINC000826368126 898163483 /nfs/dbraw/zinc/16/34/83/898163483.db2.gz CQNZVQZBBHITLT-AWEZNQCLSA-N -1 3 395.410 3.521 20 0 GHADHM FC(F)(F)c1ccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)cc1 ZINC000826368126 898163495 /nfs/dbraw/zinc/16/34/95/898163495.db2.gz CQNZVQZBBHITLT-AWEZNQCLSA-N -1 3 395.410 3.521 20 0 GHADHM CCOCCCN(Cc1ccc(F)cc1Br)C[C@H](C)C(=O)[O-] ZINC000568891765 898194834 /nfs/dbraw/zinc/19/48/34/898194834.db2.gz XXLJAADIILEIKE-LBPRGKRZSA-N -1 3 376.266 3.538 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)C2)n1 ZINC000826368859 898203450 /nfs/dbraw/zinc/20/34/50/898203450.db2.gz CZZUDCFBFQLVIS-SNVBAGLBSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn([C@@H]2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)C2)n1 ZINC000826368859 898203464 /nfs/dbraw/zinc/20/34/64/898203464.db2.gz CZZUDCFBFQLVIS-SNVBAGLBSA-N -1 3 397.792 3.577 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822202006 898252649 /nfs/dbraw/zinc/25/26/49/898252649.db2.gz GMDJHVZUWWWCRA-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509517507 898363911 /nfs/dbraw/zinc/36/39/11/898363911.db2.gz BJKGMPLXYDCYSH-ZDUSSCGKSA-N -1 3 398.475 3.891 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822477398 898398064 /nfs/dbraw/zinc/39/80/64/898398064.db2.gz LFEGGDCASSHZJC-NSHDSACASA-N -1 3 380.843 3.582 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822477398 898398080 /nfs/dbraw/zinc/39/80/80/898398080.db2.gz LFEGGDCASSHZJC-NSHDSACASA-N -1 3 380.843 3.582 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1c([O-])cccc1Cl ZINC000569250897 898469094 /nfs/dbraw/zinc/46/90/94/898469094.db2.gz QEIKWGHBSSPUJV-UHFFFAOYSA-N -1 3 387.848 3.936 20 0 GHADHM Clc1ccc([C@@H]2CCN2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822574699 898488715 /nfs/dbraw/zinc/48/87/15/898488715.db2.gz XUCVZWUDXRZYGW-INIZCTEOSA-N -1 3 393.838 3.517 20 0 GHADHM Clc1ccc([C@@H]2CCN2Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822574699 898488720 /nfs/dbraw/zinc/48/87/20/898488720.db2.gz XUCVZWUDXRZYGW-INIZCTEOSA-N -1 3 393.838 3.517 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc2c(c1)CCC(=O)N2 ZINC001136604014 898495249 /nfs/dbraw/zinc/49/52/49/898495249.db2.gz RYCTZQXBWKPGKO-LLVKDONJSA-N -1 3 395.846 3.557 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cc1Cl ZINC001186060732 914289771 /nfs/dbraw/zinc/28/97/71/914289771.db2.gz GASYKZPXHWQKKP-UHFFFAOYSA-N -1 3 394.667 3.801 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])Nc1cc(F)ccc1F ZINC001202659648 898917500 /nfs/dbraw/zinc/91/75/00/898917500.db2.gz RSSUVIJEENXGDQ-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000569746427 898926268 /nfs/dbraw/zinc/92/62/68/898926268.db2.gz OEWOAHPVFGLEPY-UHFFFAOYSA-N -1 3 378.472 3.648 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C1(c2ccc3ncccc3c2)CC1 ZINC001186091165 914298688 /nfs/dbraw/zinc/29/86/88/914298688.db2.gz GREWWYSBJAGENC-UHFFFAOYSA-N -1 3 380.375 3.536 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cncc(-c2ccccc2)c1 ZINC000823387563 899002236 /nfs/dbraw/zinc/00/22/36/899002236.db2.gz OZIXSXJFZBACRO-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cncc(-c2ccccc2)c1 ZINC000823387563 899002249 /nfs/dbraw/zinc/00/22/49/899002249.db2.gz OZIXSXJFZBACRO-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM c1ccc(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CCCC2)cc1 ZINC000823786947 899263219 /nfs/dbraw/zinc/26/32/19/899263219.db2.gz FDHOARNJJKJVAL-UHFFFAOYSA-N -1 3 387.447 3.866 20 0 GHADHM c1ccc(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CCCC2)cc1 ZINC000823786947 899263231 /nfs/dbraw/zinc/26/32/31/899263231.db2.gz FDHOARNJJKJVAL-UHFFFAOYSA-N -1 3 387.447 3.866 20 0 GHADHM C[C@H]1C[C@@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000332010115 899334804 /nfs/dbraw/zinc/33/48/04/899334804.db2.gz SURMIWCVTGWYCX-IRXDYDNUSA-N -1 3 386.536 3.966 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc([C@H](c3cccc(C)c3)C(C)C)no2)c(C)o1 ZINC000570503482 899348299 /nfs/dbraw/zinc/34/82/99/899348299.db2.gz GXHRIOOCSYESAG-KRWDZBQOSA-N -1 3 389.477 3.642 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)on1 ZINC000824130851 899399060 /nfs/dbraw/zinc/39/90/60/899399060.db2.gz PPEACUHUAKMVAR-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM CC(C)(C)c1cc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)on1 ZINC000824130851 899399073 /nfs/dbraw/zinc/39/90/73/899399073.db2.gz PPEACUHUAKMVAR-UHFFFAOYSA-N -1 3 392.872 3.536 20 0 GHADHM Cc1ccc(C=CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000824154087 899429952 /nfs/dbraw/zinc/42/99/52/899429952.db2.gz FHJOXDUAYYDBGK-FPLPWBNLSA-N -1 3 390.281 3.626 20 0 GHADHM CC(C)(CO)[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000824162944 899436107 /nfs/dbraw/zinc/43/61/07/899436107.db2.gz VQGNNGXUINSZHL-GOSISDBHSA-N -1 3 388.475 3.629 20 0 GHADHM CC(C)(CO)[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000824162944 899436115 /nfs/dbraw/zinc/43/61/15/899436115.db2.gz VQGNNGXUINSZHL-GOSISDBHSA-N -1 3 388.475 3.629 20 0 GHADHM O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570654247 899474100 /nfs/dbraw/zinc/47/41/00/899474100.db2.gz XOWWDQYYAGTTGU-CQSZACIVSA-N -1 3 393.472 3.632 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)c(C)c1 ZINC000570781885 899586322 /nfs/dbraw/zinc/58/63/22/899586322.db2.gz QUBTWUJDOHRGEU-UHFFFAOYSA-N -1 3 375.446 3.550 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478472 899622414 /nfs/dbraw/zinc/62/24/14/899622414.db2.gz HDRYLUYEHNYDIZ-OAHLLOKOSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478472 899622422 /nfs/dbraw/zinc/62/24/22/899622422.db2.gz HDRYLUYEHNYDIZ-OAHLLOKOSA-N -1 3 399.454 3.659 20 0 GHADHM C[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520798 899656503 /nfs/dbraw/zinc/65/65/03/899656503.db2.gz FLOSATDBPDJGRR-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520798 899656509 /nfs/dbraw/zinc/65/65/09/899656509.db2.gz FLOSATDBPDJGRR-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824521839 899657000 /nfs/dbraw/zinc/65/70/00/899657000.db2.gz NJNSOFMIFBQUJQ-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824521839 899657008 /nfs/dbraw/zinc/65/70/08/899657008.db2.gz NJNSOFMIFBQUJQ-ZDUSSCGKSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NCC(=O)OC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824564575 899688876 /nfs/dbraw/zinc/68/88/76/899688876.db2.gz VUCBCGOGSGGWCP-CQSZACIVSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@@H](NCC(=O)OC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824564575 899688881 /nfs/dbraw/zinc/68/88/81/899688881.db2.gz VUCBCGOGSGGWCP-CQSZACIVSA-N -1 3 379.464 3.526 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)OC)cc2)c(C)c1 ZINC000571010283 899712713 /nfs/dbraw/zinc/71/27/13/899712713.db2.gz YQFHYAKRDJSCPE-OAHLLOKOSA-N -1 3 391.489 3.546 20 0 GHADHM C[C@H](Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000824656543 899740291 /nfs/dbraw/zinc/74/02/91/899740291.db2.gz LLSBIXCNQHUOJH-VIFPVBQESA-N -1 3 388.225 3.531 20 0 GHADHM C[C@H](Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000824656543 899740297 /nfs/dbraw/zinc/74/02/97/899740297.db2.gz LLSBIXCNQHUOJH-VIFPVBQESA-N -1 3 388.225 3.531 20 0 GHADHM C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824624698 899745877 /nfs/dbraw/zinc/74/58/77/899745877.db2.gz BPADKJCPAAEUOB-ZDUSSCGKSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824624698 899745891 /nfs/dbraw/zinc/74/58/91/899745891.db2.gz BPADKJCPAAEUOB-ZDUSSCGKSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@H](OC(=O)CCCCC(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714619 899782937 /nfs/dbraw/zinc/78/29/37/899782937.db2.gz OSGJIMATVLYAAA-HNNXBMFYSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@H](OC(=O)CCCCC(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714619 899782945 /nfs/dbraw/zinc/78/29/45/899782945.db2.gz OSGJIMATVLYAAA-HNNXBMFYSA-N -1 3 378.432 3.914 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1F ZINC000824753017 899808069 /nfs/dbraw/zinc/80/80/69/899808069.db2.gz BFEGIAGUHIMECX-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1F ZINC000824753017 899808074 /nfs/dbraw/zinc/80/80/74/899808074.db2.gz BFEGIAGUHIMECX-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCO1 ZINC000824864799 899843498 /nfs/dbraw/zinc/84/34/98/899843498.db2.gz FVQMFMXQBOBUSJ-QWHCGFSZSA-N -1 3 397.410 3.552 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCO1 ZINC000824864799 899843503 /nfs/dbraw/zinc/84/35/03/899843503.db2.gz FVQMFMXQBOBUSJ-QWHCGFSZSA-N -1 3 397.410 3.552 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C)c(C)c1Cl ZINC001186249273 914384970 /nfs/dbraw/zinc/38/49/70/914384970.db2.gz SMVJWLQUFMLPQI-GXSJLCMTSA-N -1 3 379.931 3.601 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824869198 899877264 /nfs/dbraw/zinc/87/72/64/899877264.db2.gz YZGGFVZAPUYYFE-STXHMFSFSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824869198 899877271 /nfs/dbraw/zinc/87/72/71/899877271.db2.gz YZGGFVZAPUYYFE-STXHMFSFSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824938068 899897937 /nfs/dbraw/zinc/89/79/37/899897937.db2.gz SHNMLUQRZCSMEM-DGCLKSJQSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824938068 899897945 /nfs/dbraw/zinc/89/79/45/899897945.db2.gz SHNMLUQRZCSMEM-DGCLKSJQSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCCC[C@H]12 ZINC000824974822 899922608 /nfs/dbraw/zinc/92/26/08/899922608.db2.gz GHOCWYOOZCZMLU-HCKVZZMMSA-N -1 3 394.401 3.928 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCCC[C@H]12 ZINC000824974822 899922617 /nfs/dbraw/zinc/92/26/17/899922617.db2.gz GHOCWYOOZCZMLU-HCKVZZMMSA-N -1 3 394.401 3.928 20 0 GHADHM CC[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccc(OC)cc1 ZINC000825038783 899946375 /nfs/dbraw/zinc/94/63/75/899946375.db2.gz IDUAXPSPWUWDBU-CQSZACIVSA-N -1 3 397.504 3.948 20 0 GHADHM CC[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccc(OC)cc1 ZINC000825038783 899946380 /nfs/dbraw/zinc/94/63/80/899946380.db2.gz IDUAXPSPWUWDBU-CQSZACIVSA-N -1 3 397.504 3.948 20 0 GHADHM CC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000333094544 899955143 /nfs/dbraw/zinc/95/51/43/899955143.db2.gz UDRYTZKRRXILGF-QFIPXVFZSA-N -1 3 383.444 3.595 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825082643 899968008 /nfs/dbraw/zinc/96/80/08/899968008.db2.gz UJDBMUHHBSLTPW-CQSZACIVSA-N -1 3 397.483 3.530 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825082643 899968012 /nfs/dbraw/zinc/96/80/12/899968012.db2.gz UJDBMUHHBSLTPW-CQSZACIVSA-N -1 3 397.483 3.530 20 0 GHADHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000121177279 899972442 /nfs/dbraw/zinc/97/24/42/899972442.db2.gz IZDABZSMOYGOHH-LBPRGKRZSA-N -1 3 377.847 3.535 20 0 GHADHM CCN(C(=O)c1cc(C)n(C2CCCCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380136 900134965 /nfs/dbraw/zinc/13/49/65/900134965.db2.gz OMOXTLTYPWFGFI-UHFFFAOYSA-N -1 3 379.468 3.544 20 0 GHADHM CCN(C(=O)c1cc(C)n(C2CCCCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380136 900134969 /nfs/dbraw/zinc/13/49/69/900134969.db2.gz OMOXTLTYPWFGFI-UHFFFAOYSA-N -1 3 379.468 3.544 20 0 GHADHM CCOc1ccc(C[C@H](C)C(=O)OCc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000884550671 900167812 /nfs/dbraw/zinc/16/78/12/900167812.db2.gz IUTUTPDASNBHJJ-AWEZNQCLSA-N -1 3 382.416 3.763 20 0 GHADHM CCOC(=O)[C@H](CC)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825486239 900187851 /nfs/dbraw/zinc/18/78/51/900187851.db2.gz PFHNJYHDZBGGCB-KUHUBIRLSA-N -1 3 379.464 3.526 20 0 GHADHM CCOC(=O)[C@H](CC)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825486239 900187857 /nfs/dbraw/zinc/18/78/57/900187857.db2.gz PFHNJYHDZBGGCB-KUHUBIRLSA-N -1 3 379.464 3.526 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826422035 900232307 /nfs/dbraw/zinc/23/23/07/900232307.db2.gz KBVUZRHIXLXGOB-IENJSVCTSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000826422035 900232315 /nfs/dbraw/zinc/23/23/15/900232315.db2.gz KBVUZRHIXLXGOB-IENJSVCTSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000826422037 900232424 /nfs/dbraw/zinc/23/24/24/900232424.db2.gz KBVUZRHIXLXGOB-YUIUBULTSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000826422037 900232439 /nfs/dbraw/zinc/23/24/39/900232439.db2.gz KBVUZRHIXLXGOB-YUIUBULTSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Nc1ncc(Br)[n-]c1=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC001143630423 900250319 /nfs/dbraw/zinc/25/03/19/900250319.db2.gz FULKNXXVZYAFBS-HNNXBMFYSA-N -1 3 390.281 3.835 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000843889204 900291991 /nfs/dbraw/zinc/29/19/91/900291991.db2.gz LKIDMJTWVZJKIH-QFIPXVFZSA-N -1 3 398.459 3.973 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)sc1Br ZINC000573010505 900341059 /nfs/dbraw/zinc/34/10/59/900341059.db2.gz FELVKFXGWAUHRG-ZANVPECISA-N -1 3 388.308 3.620 20 0 GHADHM Cc1nc(CN2CCCC23CCN(C(=O)c2ccc([O-])cc2F)CC3)cs1 ZINC001186326428 914437349 /nfs/dbraw/zinc/43/73/49/914437349.db2.gz BWKXOAIMFVKTSP-UHFFFAOYSA-N -1 3 389.496 3.567 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1([C@@H]2CCNc3ccccc32)CC1 ZINC000885117769 900386192 /nfs/dbraw/zinc/38/61/92/900386192.db2.gz XOQOKXSIRIKQNN-MRXNPFEDSA-N -1 3 391.427 3.865 20 0 GHADHM O=C(c1ccc([O-])cc1F)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001186328174 914441217 /nfs/dbraw/zinc/44/12/17/914441217.db2.gz XLGLDJHCFMRNAW-UHFFFAOYSA-N -1 3 385.826 3.695 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(C(=O)C(F)(F)F)CC2)c1C ZINC000844214523 900609795 /nfs/dbraw/zinc/60/97/95/900609795.db2.gz HCOWFZWMUHGDLL-UHFFFAOYSA-N -1 3 380.366 3.898 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826456519 900653605 /nfs/dbraw/zinc/65/36/05/900653605.db2.gz JCJGTIRZKQKZSE-HNNXBMFYSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000826456519 900653609 /nfs/dbraw/zinc/65/36/09/900653609.db2.gz JCJGTIRZKQKZSE-HNNXBMFYSA-N -1 3 384.827 3.556 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1[O-] ZINC000573869524 900674418 /nfs/dbraw/zinc/67/44/18/900674418.db2.gz NPHWFRXNIQSXMS-UHFFFAOYSA-N -1 3 375.428 3.975 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc2ncccc2c1 ZINC000574133441 900790999 /nfs/dbraw/zinc/79/09/99/900790999.db2.gz XOXQYNGPIOYJQM-RTWAWAEBSA-N -1 3 398.484 3.718 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCC[C@@H]3F)c2)cc1 ZINC000574598785 900939167 /nfs/dbraw/zinc/93/91/67/900939167.db2.gz BFISXAMKPMIWBY-RBUKOAKNSA-N -1 3 390.480 3.725 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000137696541 900940245 /nfs/dbraw/zinc/94/02/45/900940245.db2.gz MWTQWCDYMIJYFF-UHFFFAOYSA-N -1 3 388.489 3.510 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccccc3NC3CCCCC3)cc2n(C)c1=O ZINC000574950444 901069781 /nfs/dbraw/zinc/06/97/81/901069781.db2.gz ZKXMQWVOJHVPKA-UHFFFAOYSA-N -1 3 394.475 3.580 20 0 GHADHM O[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cc2ccccc2s1 ZINC000826504215 901381383 /nfs/dbraw/zinc/38/13/83/901381383.db2.gz PUVIGDFMPQZQBQ-MRXNPFEDSA-N -1 3 388.456 3.775 20 0 GHADHM O[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cc2ccccc2s1 ZINC000826504215 901381393 /nfs/dbraw/zinc/38/13/93/901381393.db2.gz PUVIGDFMPQZQBQ-MRXNPFEDSA-N -1 3 388.456 3.775 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1)c1cccc(Br)c1Cl ZINC000575854905 901389616 /nfs/dbraw/zinc/38/96/16/901389616.db2.gz RVZWZBCWLQPIPW-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM O=S(=O)([N-]c1cc(Br)cnc1F)c1csc2ccccc21 ZINC001186451307 914533730 /nfs/dbraw/zinc/53/37/30/914533730.db2.gz GPYMJMKEPJSCIU-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM COC[C@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000575929059 901484177 /nfs/dbraw/zinc/48/41/77/901484177.db2.gz MHBOJXUPGOGRMM-SFHVURJKSA-N -1 3 380.897 3.777 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122127118 901729188 /nfs/dbraw/zinc/72/91/88/901729188.db2.gz CRBVXABEJMDKHX-IBGZPJMESA-N -1 3 392.459 3.698 20 0 GHADHM CN(c1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cn1)C1CCCCC1 ZINC001212614601 902276273 /nfs/dbraw/zinc/27/62/73/902276273.db2.gz QWDIHWXQZXXOLX-UHFFFAOYSA-N -1 3 394.928 3.887 20 0 GHADHM COc1cc(CNS(=O)(=O)c2csc3ccccc32)cc(Cl)c1[O-] ZINC001186523254 914614453 /nfs/dbraw/zinc/61/44/53/914614453.db2.gz WKWSCPVMTAUMFD-UHFFFAOYSA-N -1 3 383.878 3.747 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)NCc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC001144549572 902359959 /nfs/dbraw/zinc/35/99/59/902359959.db2.gz SNKRZJYACBJYTE-UHFFFAOYSA-N -1 3 380.473 3.584 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001144617344 902510958 /nfs/dbraw/zinc/51/09/58/902510958.db2.gz QYJDJKCFDHNZOQ-UHFFFAOYSA-N -1 3 378.306 3.969 20 0 GHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144655082 902566871 /nfs/dbraw/zinc/56/68/71/902566871.db2.gz YENVEVJMXKRUNU-HNNXBMFYSA-N -1 3 378.463 3.579 20 0 GHADHM CCOC(=O)c1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1C(C)C ZINC000128221000 902628283 /nfs/dbraw/zinc/62/82/83/902628283.db2.gz IGRTXWBAELKWHI-UHFFFAOYSA-N -1 3 385.445 3.537 20 0 GHADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl)OC ZINC000600665738 902800625 /nfs/dbraw/zinc/80/06/25/902800625.db2.gz WSSNKUYTYBZZMN-SNVBAGLBSA-N -1 3 395.880 3.601 20 0 GHADHM O=c1nc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000264764459 903366956 /nfs/dbraw/zinc/36/69/56/903366956.db2.gz ZSBVFTNXMMANHW-IINYFYTJSA-N -1 3 399.394 3.545 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Br)c(F)c1 ZINC001186684982 914722153 /nfs/dbraw/zinc/72/21/53/914722153.db2.gz SRYPZUSCHWJXPP-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)c([O-])c1 ZINC000264965963 903515557 /nfs/dbraw/zinc/51/55/57/903515557.db2.gz XMEMKBCHFCQTNH-CQSZACIVSA-N -1 3 386.521 3.751 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000578137755 903549862 /nfs/dbraw/zinc/54/98/62/903549862.db2.gz VVASTEFXCJRSGC-UHFFFAOYSA-N -1 3 375.266 3.706 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000646627301 914732422 /nfs/dbraw/zinc/73/24/22/914732422.db2.gz BQOFYXDIAXAEMW-MRXNPFEDSA-N -1 3 393.340 3.803 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)c(C)c1 ZINC000578243897 903646745 /nfs/dbraw/zinc/64/67/45/903646745.db2.gz VHCSQIMRTJSIEG-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM Cc1cc([C@](C)(O)CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(C)o1 ZINC001147990169 903946356 /nfs/dbraw/zinc/94/63/56/903946356.db2.gz HWPYIHFMSNQPMF-HSZRJFAPSA-N -1 3 379.456 3.830 20 0 GHADHM COc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4F)nn3c2)c1[O-] ZINC001148197651 903998860 /nfs/dbraw/zinc/99/88/60/903998860.db2.gz VHMRUNCLFFWQQD-UHFFFAOYSA-N -1 3 378.363 3.502 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000578756464 904101325 /nfs/dbraw/zinc/10/13/25/904101325.db2.gz UMLMJNMGHBTWKJ-HOTGVXAUSA-N -1 3 387.398 3.884 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@H](C)Cc2ccccc2Br)ccc1[O-] ZINC001148670932 904165460 /nfs/dbraw/zinc/16/54/60/904165460.db2.gz NBZQUYZSMLJGQY-LLVKDONJSA-N -1 3 376.250 3.718 20 0 GHADHM CC(=O)c1cc(C(=O)N[C@@H](C)Cc2ccccc2Br)ccc1[O-] ZINC001148670933 904165704 /nfs/dbraw/zinc/16/57/04/904165704.db2.gz NBZQUYZSMLJGQY-NSHDSACASA-N -1 3 376.250 3.718 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151649450 904173711 /nfs/dbraw/zinc/17/37/11/904173711.db2.gz QSQIVTNRYUYCQN-UHFFFAOYSA-N -1 3 386.677 3.595 20 0 GHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000772995746 904210578 /nfs/dbraw/zinc/21/05/78/904210578.db2.gz RDQNNOMCZMQEPR-INIZCTEOSA-N -1 3 394.320 3.634 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000152390741 904261571 /nfs/dbraw/zinc/26/15/71/904261571.db2.gz HUADOIVRRVQYLN-RYUDHWBXSA-N -1 3 395.425 3.647 20 0 GHADHM CC(C)(C)OC(=O)Cc1ccc(CCNc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001171344728 904335772 /nfs/dbraw/zinc/33/57/72/904335772.db2.gz OWWVYVSYNYQHRQ-UHFFFAOYSA-N -1 3 397.454 3.545 20 0 GHADHM CC(C)(C)OC(=O)Cc1ccc(CCNc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001171344728 904335781 /nfs/dbraw/zinc/33/57/81/904335781.db2.gz OWWVYVSYNYQHRQ-UHFFFAOYSA-N -1 3 397.454 3.545 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1 ZINC000579204289 904426113 /nfs/dbraw/zinc/42/61/13/904426113.db2.gz MGDTWJPUWFZTRO-MJGOQNOKSA-N -1 3 385.464 3.694 20 0 GHADHM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646753874 914816547 /nfs/dbraw/zinc/81/65/47/914816547.db2.gz OFGLOXBMXAYUQB-LBPRGKRZSA-N -1 3 382.357 3.806 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC3(C)CCC3)cc2)cc1 ZINC000773256560 904620685 /nfs/dbraw/zinc/62/06/85/904620685.db2.gz RNSOGSSNGJJSOE-UHFFFAOYSA-N -1 3 388.489 3.694 20 0 GHADHM COc1ccc(-c2noc([C@H](C)N3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)cc1 ZINC000579484020 904639899 /nfs/dbraw/zinc/63/98/99/904639899.db2.gz FHQHDLFATUVTSR-NYHFZMIOSA-N -1 3 393.443 3.535 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(Cl)cccc21)c1cccnc1C(F)(F)F ZINC000579508446 904663001 /nfs/dbraw/zinc/66/30/01/904663001.db2.gz ODOAZPCPTAZGAE-NSHDSACASA-N -1 3 392.786 3.556 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000826686965 904969130 /nfs/dbraw/zinc/96/91/30/904969130.db2.gz CUKDYJBJIIOZES-MRXNPFEDSA-N -1 3 378.469 3.723 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000188910848 905005160 /nfs/dbraw/zinc/00/51/60/905005160.db2.gz ZZNQBMLZALQNHN-VIFPVBQESA-N -1 3 384.249 3.670 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CC1(C)C ZINC000429573150 905081852 /nfs/dbraw/zinc/08/18/52/905081852.db2.gz KYBKOVVVHDTPQO-GFCCVEGCSA-N -1 3 383.673 3.815 20 0 GHADHM CC(C)(C)SCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171909725 905141099 /nfs/dbraw/zinc/14/10/99/905141099.db2.gz CKKUJICZCHJLEH-LBPRGKRZSA-N -1 3 388.455 3.717 20 0 GHADHM O=C(C[C@@H]1C=CCCC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171916214 905146823 /nfs/dbraw/zinc/14/68/23/905146823.db2.gz YOWLLLPXPSJNQS-HUUCEWRRSA-N -1 3 380.410 3.932 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccnn3[C@H](C)CC(C)C)c([O-])c2c(OC)c1 ZINC000627378570 905549368 /nfs/dbraw/zinc/54/93/68/905549368.db2.gz PKNSVBIAJWOQHA-CYBMUJFWSA-N -1 3 398.463 3.601 20 0 GHADHM O=C([O-])[C@H]1CC12CCN(Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CC2 ZINC000901502081 921176733 /nfs/dbraw/zinc/17/67/33/921176733.db2.gz XSVYVQHJNIHSCT-QGZVFWFLSA-N -1 3 393.409 3.637 20 0 GHADHM O=C(CCc1ccsc1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176627863 905900371 /nfs/dbraw/zinc/90/03/71/905900371.db2.gz ZDFNQCFWKDIPOZ-UHFFFAOYSA-N -1 3 392.908 3.917 20 0 GHADHM Cc1c2cccc(Cl)c2sc1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901525990 921203725 /nfs/dbraw/zinc/20/37/25/921203725.db2.gz LDKPVKQYNGVEIH-LBPRGKRZSA-N -1 3 390.896 3.990 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc2n(n1)CCO2 ZINC000365852042 921213767 /nfs/dbraw/zinc/21/37/67/921213767.db2.gz ADBAPJOYGQKOKA-UHFFFAOYSA-N -1 3 378.413 3.510 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629217682 906598259 /nfs/dbraw/zinc/59/82/59/906598259.db2.gz KBJIFEORNOOXAX-RYUDHWBXSA-N -1 3 385.493 3.702 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]2CCC[C@@H]21 ZINC000629373170 906746639 /nfs/dbraw/zinc/74/66/39/906746639.db2.gz HJLULTFCAGFFLO-BZUAXINKSA-N -1 3 386.473 3.614 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H]4CCCC[C@@]43C)cs2)c1 ZINC000629617668 906906418 /nfs/dbraw/zinc/90/64/18/906906418.db2.gz YBQFAMOWTIJFHZ-QKKBWIMNSA-N -1 3 399.516 3.743 20 0 GHADHM O=C(OCCc1ccoc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000777386126 907195057 /nfs/dbraw/zinc/19/50/57/907195057.db2.gz DNOCKWHMINHVDR-UHFFFAOYSA-N -1 3 389.404 3.619 20 0 GHADHM Brc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cnc1Br ZINC001175425330 907544763 /nfs/dbraw/zinc/54/47/63/907544763.db2.gz SGTFSTIOQGBTJE-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c21 ZINC001175429670 907548861 /nfs/dbraw/zinc/54/88/61/907548861.db2.gz YDWSARPKBYTBPC-UHFFFAOYSA-N -1 3 378.436 3.908 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2C1 ZINC001175432349 907551125 /nfs/dbraw/zinc/55/11/25/907551125.db2.gz BJYDBMQWDWQPGQ-UHFFFAOYSA-N -1 3 378.436 3.861 20 0 GHADHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(NC(=O)OC(C)(C)C)c1 ZINC001175432575 907552301 /nfs/dbraw/zinc/55/23/01/907552301.db2.gz IQWNAIBNVQOWGX-UHFFFAOYSA-N -1 3 382.424 3.966 20 0 GHADHM O=C(c1ccc(F)c(Nc2cccc([O-])c2Br)c1)N1CCOCC1 ZINC001176249969 908019081 /nfs/dbraw/zinc/01/90/81/908019081.db2.gz BZOOASOHWSARRY-UHFFFAOYSA-N -1 3 395.228 3.510 20 0 GHADHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C(F)F)o2)N(C)C)cc1 ZINC000632374675 908027788 /nfs/dbraw/zinc/02/77/88/908027788.db2.gz HNWBGFWHLWGSDL-ZDUSSCGKSA-N -1 3 390.477 3.520 20 0 GHADHM CC1(C)C[C@]1(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001176356868 908070642 /nfs/dbraw/zinc/07/06/42/908070642.db2.gz FVJJLHMQRINDRY-HXUWFJFHSA-N -1 3 390.480 3.793 20 0 GHADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000901592554 921379631 /nfs/dbraw/zinc/37/96/31/921379631.db2.gz FJELBBSHBHKQAV-UHFFFAOYSA-N -1 3 380.286 3.772 20 0 GHADHM Cn1nc2c(c1CN1CCC([C@H](CC(=O)[O-])c3ccccc3)CC1)CCCC2 ZINC000901597220 921384408 /nfs/dbraw/zinc/38/44/08/921384408.db2.gz BHCAIUMPLVJKAT-HXUWFJFHSA-N -1 3 381.520 3.769 20 0 GHADHM Cc1nn(C)c2ncc(CN3CCC([C@@H](CC(=O)[O-])c4ccccc4)CC3)cc12 ZINC000901599927 921387181 /nfs/dbraw/zinc/38/71/81/921387181.db2.gz PJHZCSKJSITHNK-NRFANRHFSA-N -1 3 392.503 3.747 20 0 GHADHM O=C(NCCN(Cc1ccccc1)c1ccccn1)c1cc([O-])ccc1Cl ZINC001177215671 908468232 /nfs/dbraw/zinc/46/82/32/908468232.db2.gz BGHFXTCAHZWVES-UHFFFAOYSA-N -1 3 381.863 3.877 20 0 GHADHM O=C(CCc1cc(-c2ccc(Br)cc2)no1)Nc1ncccc1[O-] ZINC001177502498 908603898 /nfs/dbraw/zinc/60/38/98/908603898.db2.gz AKNBJEKPJFRCAO-UHFFFAOYSA-N -1 3 388.221 3.776 20 0 GHADHM CC(C)C(=O)[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1 ZINC001177522351 908612920 /nfs/dbraw/zinc/61/29/20/908612920.db2.gz MLADIBPZRWXDCX-KRWDZBQOSA-N -1 3 384.382 3.503 20 0 GHADHM CCOC(=O)[C@@]1(F)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1CC ZINC001177611405 908667530 /nfs/dbraw/zinc/66/75/30/908667530.db2.gz FVHDTSUCCBFFHS-FDDCHVKYSA-N -1 3 399.462 3.736 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177644542 908699189 /nfs/dbraw/zinc/69/91/89/908699189.db2.gz DIZHUUJLCIGAGJ-UHFFFAOYSA-N -1 3 381.407 3.708 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)[n-]n1 ZINC001177687501 908709867 /nfs/dbraw/zinc/70/98/67/908709867.db2.gz LOZRVQIODDJNIT-LBPRGKRZSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)n[n-]1 ZINC001177687501 908709880 /nfs/dbraw/zinc/70/98/80/908709880.db2.gz LOZRVQIODDJNIT-LBPRGKRZSA-N -1 3 397.456 3.621 20 0 GHADHM CC(C)(NCc1cccc([O-])c1Br)c1cn(-c2ccccc2)nn1 ZINC001178003805 908843969 /nfs/dbraw/zinc/84/39/69/908843969.db2.gz ZBYUDERBODDCNC-UHFFFAOYSA-N -1 3 387.281 3.760 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C2SCCCS2)cc1 ZINC000194732343 908919429 /nfs/dbraw/zinc/91/94/29/908919429.db2.gz IHFWACLNMSSUGP-UHFFFAOYSA-N -1 3 397.529 3.665 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C2SCCCS2)cc1 ZINC000194732343 908919436 /nfs/dbraw/zinc/91/94/36/908919436.db2.gz IHFWACLNMSSUGP-UHFFFAOYSA-N -1 3 397.529 3.665 20 0 GHADHM O=C(CCc1cncc(C(F)(F)F)c1)Nc1ncc([O-])cc1Br ZINC001178456948 909061129 /nfs/dbraw/zinc/06/11/29/909061129.db2.gz URDONMUUZJQJOQ-UHFFFAOYSA-N -1 3 390.159 3.535 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000635020326 909103441 /nfs/dbraw/zinc/10/34/41/909103441.db2.gz LMWGDBFQYJJUQH-OFNKIYASSA-N -1 3 392.455 3.515 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000266975661 909355573 /nfs/dbraw/zinc/35/55/73/909355573.db2.gz DARGSFAFDVBWEO-UHFFFAOYSA-N -1 3 388.493 3.758 20 0 GHADHM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267001773 909362860 /nfs/dbraw/zinc/36/28/60/909362860.db2.gz OCMUJNONTBMGMT-UHFFFAOYSA-N -1 3 387.480 3.563 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cn1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183916 909399455 /nfs/dbraw/zinc/39/94/55/909399455.db2.gz YPSOWVGUPDCAOU-SNVBAGLBSA-N -1 3 377.326 3.502 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)n1 ZINC000636115796 909435671 /nfs/dbraw/zinc/43/56/71/909435671.db2.gz VBNBTTUPXYSURP-JTQLQIEISA-N -1 3 384.263 3.616 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1OCC ZINC000636318548 909537529 /nfs/dbraw/zinc/53/75/29/909537529.db2.gz XZFSUIPAWXADJU-UHFFFAOYSA-N -1 3 399.491 3.957 20 0 GHADHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)s1 ZINC000636318906 909537822 /nfs/dbraw/zinc/53/78/22/909537822.db2.gz DNQSAWFZRKNNTJ-VIFPVBQESA-N -1 3 396.310 3.694 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1occc1COc1ccccc1 ZINC000636318533 909538142 /nfs/dbraw/zinc/53/81/42/909538142.db2.gz XFOPYDJFRIPISZ-UHFFFAOYSA-N -1 3 379.416 3.552 20 0 GHADHM COc1ccc(C2(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)CCCC2)cc1 ZINC000636318605 909538231 /nfs/dbraw/zinc/53/82/31/909538231.db2.gz AKSLLHVNUCEPEL-UHFFFAOYSA-N -1 3 381.476 3.587 20 0 GHADHM COc1cccc(C2(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)CCCC2)c1 ZINC000636319568 909539420 /nfs/dbraw/zinc/53/94/20/909539420.db2.gz SCNOYDQVUJIMHL-UHFFFAOYSA-N -1 3 381.476 3.587 20 0 GHADHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319479 909539856 /nfs/dbraw/zinc/53/98/56/909539856.db2.gz SPOWNHRDFGNIKD-JTQLQIEISA-N -1 3 396.274 3.840 20 0 GHADHM C[C@@H](CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)C(=O)c1ccc(Cl)cc1 ZINC000636321253 909541835 /nfs/dbraw/zinc/54/18/35/909541835.db2.gz ZDEASMBQQPEMLX-LBPRGKRZSA-N -1 3 387.867 3.628 20 0 GHADHM CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(OC(C)C)c1 ZINC000636320843 909542044 /nfs/dbraw/zinc/54/20/44/909542044.db2.gz LQUFFRPBDHXGII-UHFFFAOYSA-N -1 3 399.491 3.956 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)/C=C/c1cccc(OC(F)(F)F)c1 ZINC001179945981 909821292 /nfs/dbraw/zinc/82/12/92/909821292.db2.gz IXSDLLTXLSLOJP-AATRIKPKSA-N -1 3 399.296 3.868 20 0 GHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000268981333 910092298 /nfs/dbraw/zinc/09/22/98/910092298.db2.gz JESMAXDUVSYXJL-BEFAXECRSA-N -1 3 382.508 3.912 20 0 GHADHM COc1cccc2c1OC[C@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])C2 ZINC001180403486 910120671 /nfs/dbraw/zinc/12/06/71/910120671.db2.gz CZAGBJKHLAXUDX-OAHLLOKOSA-N -1 3 399.443 3.546 20 0 GHADHM O=C(N[C@H](CO)c1cc(F)ccc1F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001180935808 910439565 /nfs/dbraw/zinc/43/95/65/910439565.db2.gz CFONDFKRUDBNPQ-HXUWFJFHSA-N -1 3 383.394 3.725 20 0 GHADHM Cc1nc(C2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)sc1C(=O)[O-] ZINC000901797597 921576514 /nfs/dbraw/zinc/57/65/14/921576514.db2.gz IUTVJDQOEGFRDS-UHFFFAOYSA-N -1 3 376.526 3.560 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC)Cc2nc3c(s2)C[C@H](C)CC3)c1 ZINC001181211832 910637644 /nfs/dbraw/zinc/63/76/44/910637644.db2.gz DAOCAHXWXBHDBG-CYBMUJFWSA-N -1 3 399.516 3.760 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCCC[C@H]3C)c2)c1 ZINC000271185977 910807715 /nfs/dbraw/zinc/80/77/15/910807715.db2.gz DRLRNPOYMLXZKY-CQSZACIVSA-N -1 3 398.459 3.676 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1N1CCOC1=O ZINC000271342219 910868776 /nfs/dbraw/zinc/86/87/76/910868776.db2.gz DGRPASFHVIWHKA-UHFFFAOYSA-N -1 3 390.461 3.540 20 0 GHADHM CSc1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640292229 910952986 /nfs/dbraw/zinc/95/29/86/910952986.db2.gz IHHVWLFXFPLNMY-UHFFFAOYSA-N -1 3 378.807 3.564 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1CCCc2sccc21 ZINC000640296775 910958805 /nfs/dbraw/zinc/95/88/05/910958805.db2.gz QKXFGISELWOKKP-JTQLQIEISA-N -1 3 378.807 3.781 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000247150751 911012013 /nfs/dbraw/zinc/01/20/13/911012013.db2.gz PVYNLASCLSVAFI-ORMTXKICSA-N -1 3 376.881 3.541 20 0 GHADHM CCN(C)C(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000273960175 911140355 /nfs/dbraw/zinc/14/03/55/911140355.db2.gz PYVQQFOGBMWDTP-SNVBAGLBSA-N -1 3 377.491 3.929 20 0 GHADHM O=C(Cc1ccc2[nH]c3ccccc3c2c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001182068972 911169333 /nfs/dbraw/zinc/16/93/33/911169333.db2.gz UTUGQZMITNUOQH-UHFFFAOYSA-N -1 3 384.395 3.857 20 0 GHADHM O=C(Cc1nc(NC(=O)C2(c3cccc(Cl)c3)CCC2)n[n-]1)c1ccccc1 ZINC001182231218 911288195 /nfs/dbraw/zinc/28/81/95/911288195.db2.gz FBGOKHFBHNKGOB-UHFFFAOYSA-N -1 3 394.862 3.944 20 0 GHADHM CC(C)(CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)CC(=O)c1ccccc1 ZINC000283060885 911356972 /nfs/dbraw/zinc/35/69/72/911356972.db2.gz RYGQWOVPAFVEKR-UHFFFAOYSA-N -1 3 388.489 3.686 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000641693007 911486143 /nfs/dbraw/zinc/48/61/43/911486143.db2.gz VWOFLKJEHUISGD-UHFFFAOYSA-N -1 3 388.198 3.694 20 0 GHADHM C[C@H](NCc1ncc(Br)cc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901871371 921667096 /nfs/dbraw/zinc/66/70/96/921667096.db2.gz FHTNGHMRWUTHAP-FZMZJTMJSA-N -1 3 397.700 3.919 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2Br)CC1(C)C ZINC001182395889 911608528 /nfs/dbraw/zinc/60/85/28/911608528.db2.gz CBNBIBRNXHMOGG-UHFFFAOYSA-N -1 3 399.329 3.986 20 0 GHADHM COc1ccc(C(C)(C)CC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)cc1 ZINC001182438277 911641437 /nfs/dbraw/zinc/64/14/37/911641437.db2.gz LCWNWKUCRYLFLA-UHFFFAOYSA-N -1 3 392.459 3.545 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CCC1)c1c([O-])cccc1O ZINC001182442456 911673332 /nfs/dbraw/zinc/67/33/32/911673332.db2.gz VSQJGCJHQSYADD-UHFFFAOYSA-N -1 3 376.250 3.712 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000901881851 921685270 /nfs/dbraw/zinc/68/52/70/921685270.db2.gz VUHHFZIXMWCYTD-UHFFFAOYSA-N -1 3 381.398 3.832 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C)=C(Br)C3)nc2)n1 ZINC000366577459 921692139 /nfs/dbraw/zinc/69/21/39/921692139.db2.gz HYBMEKDILHZZRT-UHFFFAOYSA-N -1 3 375.270 3.686 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000642323685 911981753 /nfs/dbraw/zinc/98/17/53/911981753.db2.gz KDSVTPJBQWACSX-UHFFFAOYSA-N -1 3 388.221 3.601 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000642372648 912027760 /nfs/dbraw/zinc/02/77/60/912027760.db2.gz WTWWYARVTMOJKM-UHFFFAOYSA-N -1 3 377.448 3.667 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000642372648 912027776 /nfs/dbraw/zinc/02/77/76/912027776.db2.gz WTWWYARVTMOJKM-UHFFFAOYSA-N -1 3 377.448 3.667 20 0 GHADHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccsc1 ZINC000285000817 912114455 /nfs/dbraw/zinc/11/44/55/912114455.db2.gz FWRYDYKJLOWCSZ-UHFFFAOYSA-N -1 3 392.481 3.673 20 0 GHADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182971397 912159675 /nfs/dbraw/zinc/15/96/75/912159675.db2.gz BRVSAYILDUBXIN-HXUWFJFHSA-N -1 3 382.504 3.772 20 0 GHADHM CO[C@@](C)(C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000290956123 914885050 /nfs/dbraw/zinc/88/50/50/914885050.db2.gz MTDZNJAQFVFOON-HXUWFJFHSA-N -1 3 388.489 3.549 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc2)CC1 ZINC000901918165 921731605 /nfs/dbraw/zinc/73/16/05/921731605.db2.gz UKYHDMQEMIUWNI-AQKVLALTSA-N -1 3 382.460 3.580 20 0 GHADHM CC(C)(CO)[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000646930286 914934965 /nfs/dbraw/zinc/93/49/65/914934965.db2.gz BFQSMMPGBJIDOZ-KRWDZBQOSA-N -1 3 381.394 3.943 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1F ZINC001187002251 914968228 /nfs/dbraw/zinc/96/82/28/914968228.db2.gz SGIFSHMMFRMMRO-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cnc1Cl ZINC001187044365 914980716 /nfs/dbraw/zinc/98/07/16/914980716.db2.gz PSQHUTAIXJRTPH-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Br)c2)cc1 ZINC001187278122 915144495 /nfs/dbraw/zinc/14/44/95/915144495.db2.gz QFNLZCBZXMZZCB-UHFFFAOYSA-N -1 3 379.210 3.975 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1C(F)(F)F ZINC001187413534 915231146 /nfs/dbraw/zinc/23/11/46/915231146.db2.gz AIXUIIYTZOGEAJ-UHFFFAOYSA-N -1 3 376.400 3.549 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CCCC1 ZINC001187958513 915646608 /nfs/dbraw/zinc/64/66/08/915646608.db2.gz HVVMWRRHFCFYER-ZWKOTPCHSA-N -1 3 385.501 3.708 20 0 GHADHM O=S(=O)([N-]CC1(Cc2cccc(F)c2)CC1)c1ccc(Cl)nc1Cl ZINC001187987761 915668410 /nfs/dbraw/zinc/66/84/10/915668410.db2.gz LBFZNDXHPQGPEX-UHFFFAOYSA-N -1 3 389.279 3.829 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCCC2)C1)c1cnc(-c2ccccc2)s1 ZINC001188221987 915842555 /nfs/dbraw/zinc/84/25/55/915842555.db2.gz GCXIUYAYSYPYHN-HNNXBMFYSA-N -1 3 378.519 3.580 20 0 GHADHM CC(C)CSCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001188290492 915852199 /nfs/dbraw/zinc/85/21/99/915852199.db2.gz XKLFWYZCOHSBGE-UHFFFAOYSA-N -1 3 389.436 3.782 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000292968628 915926750 /nfs/dbraw/zinc/92/67/50/915926750.db2.gz QUNQGLGMFMXREB-UHFFFAOYSA-N -1 3 397.475 3.556 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cn(CC(C)C)nc2C(F)F)[nH][n-]1 ZINC000648904411 915932256 /nfs/dbraw/zinc/93/22/56/915932256.db2.gz AEGMXRNGQUNYIA-UHFFFAOYSA-N -1 3 389.406 3.550 20 0 GHADHM C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CC(F)F ZINC000648961762 915949356 /nfs/dbraw/zinc/94/93/56/915949356.db2.gz JYGOMKLZYAZHLB-KBXCAEBGSA-N -1 3 390.430 3.661 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1Br)c1ccoc1 ZINC001188614224 916056730 /nfs/dbraw/zinc/05/67/30/916056730.db2.gz OBIGRZKSTCHYSN-UHFFFAOYSA-N -1 3 381.045 3.605 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(Cl)s1 ZINC001188644203 916073199 /nfs/dbraw/zinc/07/31/99/916073199.db2.gz DRNUJGGMKGSWGK-VIFPVBQESA-N -1 3 395.308 3.751 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccsc21 ZINC001188655522 916080455 /nfs/dbraw/zinc/08/04/55/916080455.db2.gz QGVZQXWAQRVZQD-AWEZNQCLSA-N -1 3 388.489 3.984 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001188659019 916082618 /nfs/dbraw/zinc/08/26/18/916082618.db2.gz GNUABMBPEDRXNV-OAQYLSRUSA-N -1 3 395.480 3.624 20 0 GHADHM CCOc1cccc(OCC)c1C(=O)Nc1ncc([O-])cc1Br ZINC001188861576 916239472 /nfs/dbraw/zinc/23/94/72/916239472.db2.gz KOCBOSWVUBHRPY-UHFFFAOYSA-N -1 3 381.226 3.599 20 0 GHADHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1(C)C ZINC001188967460 916314476 /nfs/dbraw/zinc/31/44/76/916314476.db2.gz AODORZWWRRULPC-HOTGVXAUSA-N -1 3 380.535 3.681 20 0 GHADHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1(C)C ZINC001188970598 916316818 /nfs/dbraw/zinc/31/68/18/916316818.db2.gz YWHQDYROTPJQNQ-OLZOCXBDSA-N -1 3 388.942 3.820 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001189010121 916338230 /nfs/dbraw/zinc/33/82/30/916338230.db2.gz GRFBIBPDBOGAPT-CYBMUJFWSA-N -1 3 383.872 3.886 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC001189021163 916346608 /nfs/dbraw/zinc/34/66/08/916346608.db2.gz VQLMYTFGCIFEFH-ZBFHGGJFSA-N -1 3 381.929 3.620 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)c1nc(C2CC2)no1 ZINC000649730920 916363088 /nfs/dbraw/zinc/36/30/88/916363088.db2.gz DSJIURYCNUMHBP-WXRRBKDZSA-N -1 3 395.447 3.685 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)n1 ZINC001189045838 916366681 /nfs/dbraw/zinc/36/66/81/916366681.db2.gz GGXQAJNSRGFZPO-ZETCQYMHSA-N -1 3 397.266 3.532 20 0 GHADHM CC(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cc1 ZINC001189104519 916404876 /nfs/dbraw/zinc/40/48/76/916404876.db2.gz VEQXZRJSEZXYSC-UHFFFAOYSA-N -1 3 381.881 3.890 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cc(F)c(Br)cc1F ZINC001189263398 916524689 /nfs/dbraw/zinc/52/46/89/916524689.db2.gz ABTGFQNSPRYSJG-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=C(c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)cc1)C(F)(F)F ZINC001189311235 916542399 /nfs/dbraw/zinc/54/23/99/916542399.db2.gz YBROOYJGQSXKGI-UHFFFAOYSA-N -1 3 379.306 3.652 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1ccc(Br)c(F)c1F ZINC001189317520 916548148 /nfs/dbraw/zinc/54/81/48/916548148.db2.gz KOJOVLMMNZLWFY-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cnc(Br)c(Cl)c1 ZINC001189425941 916628768 /nfs/dbraw/zinc/62/87/68/916628768.db2.gz KUQPPOBVOOFTRK-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM Cc1csc([C@H]([N-]C(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)C(F)(F)F)n1 ZINC000650062629 916692433 /nfs/dbraw/zinc/69/24/33/916692433.db2.gz YUJHUEDULFILMJ-BBBLOLIVSA-N -1 3 390.349 3.919 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCCC3(F)F)s2)cs1 ZINC000650176495 916779585 /nfs/dbraw/zinc/77/95/85/916779585.db2.gz UPTZPRKPIJOEDC-JTQLQIEISA-N -1 3 378.491 3.894 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1Cl ZINC001189617532 916780639 /nfs/dbraw/zinc/78/06/39/916780639.db2.gz RJYDUYVZKTZOCT-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc2nsnc2cc1Cl ZINC001189697187 916838174 /nfs/dbraw/zinc/83/81/74/916838174.db2.gz MUKOKCXMVAWOQY-UHFFFAOYSA-N -1 3 375.809 3.565 20 0 GHADHM O=C(NCc1cc(Cl)nc(Cl)c1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189765244 916902203 /nfs/dbraw/zinc/90/22/03/916902203.db2.gz LLRJRDWLQITGSE-UHFFFAOYSA-N -1 3 381.137 3.923 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)c3ccc(OC(C)C)cc3)nc2)n1 ZINC000361832825 916938752 /nfs/dbraw/zinc/93/87/52/916938752.db2.gz YWSGLXCMXJHORL-LJQANCHMSA-N -1 3 394.475 3.739 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1F ZINC001190108777 917101678 /nfs/dbraw/zinc/10/16/78/917101678.db2.gz WEHQISXLNRPEFW-QMMMGPOBSA-N -1 3 379.240 3.576 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1F)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350367 917278338 /nfs/dbraw/zinc/27/83/38/917278338.db2.gz GOXHNQQBCXUKKE-AWEZNQCLSA-N -1 3 392.349 3.808 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc3c(n2)CCCC3=O)CC1 ZINC000295415722 917308181 /nfs/dbraw/zinc/30/81/81/917308181.db2.gz DNMWDFPPIODGLG-UHFFFAOYSA-N -1 3 399.878 3.815 20 0 GHADHM CC(F)(F)CCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000295608305 917379765 /nfs/dbraw/zinc/37/97/65/917379765.db2.gz PTYOQTMOILPANJ-SFHVURJKSA-N -1 3 390.430 3.805 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1C(F)F ZINC001190583743 917430386 /nfs/dbraw/zinc/43/03/86/917430386.db2.gz DFCLXZHMOBYYMP-UHFFFAOYSA-N -1 3 389.807 3.543 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1csc(N2CCCCC2)n1 ZINC001190663042 917453221 /nfs/dbraw/zinc/45/32/21/917453221.db2.gz LOMNWJKJKNJQPC-UHFFFAOYSA-N -1 3 382.283 3.854 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)c(Cl)cc1F ZINC000121386592 917627769 /nfs/dbraw/zinc/62/77/69/917627769.db2.gz QCHXHMBLBSLNFY-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=C(N[C@@]1(c2ccccc2Cl)CCCCC1=O)c1ccc(=O)[n-]c1Cl ZINC001190918936 917661882 /nfs/dbraw/zinc/66/18/82/917661882.db2.gz ZQPPPZAKWNYJFU-GOSISDBHSA-N -1 3 379.243 3.862 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1ccc(=O)[n-]c1Cl)c1ccc(Cl)cc1Cl ZINC001190918782 917662176 /nfs/dbraw/zinc/66/21/76/917662176.db2.gz WOVARYDBFJHMQK-ZDUSSCGKSA-N -1 3 388.682 3.780 20 0 GHADHM CCc1c2ccccc2oc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000295968113 917674071 /nfs/dbraw/zinc/67/40/71/917674071.db2.gz IFYNTVJPGZFOQZ-GFCCVEGCSA-N -1 3 382.382 3.526 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Br)c(C)c2)c(F)cc1F ZINC001191114954 917765295 /nfs/dbraw/zinc/76/52/95/917765295.db2.gz ZYDSLLSTVINSEX-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM COc1cc(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)cc(Cl)c1[O-] ZINC001191155180 917789150 /nfs/dbraw/zinc/78/91/50/917789150.db2.gz AZXNHWGEEXHOFI-UHFFFAOYSA-N -1 3 394.258 3.947 20 0 GHADHM COc1ccc(-c2nc(CN(CCC(=O)[O-])CC3CC3)cs2)c(OC)c1 ZINC000652468047 917905014 /nfs/dbraw/zinc/90/50/14/917905014.db2.gz UNRMALIODQXVGM-UHFFFAOYSA-N -1 3 376.478 3.514 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(F)c1 ZINC001191370083 917970752 /nfs/dbraw/zinc/97/07/52/917970752.db2.gz ORRKLHYMEJHUAJ-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001191738228 918188285 /nfs/dbraw/zinc/18/82/85/918188285.db2.gz NVFFNPQZERCPCM-LLVKDONJSA-N -1 3 382.309 3.558 20 0 GHADHM O=C(Nc1ccc(F)c([O-])c1)c1cnc(N2CCCC2)c(Br)c1 ZINC001192046588 918353851 /nfs/dbraw/zinc/35/38/51/918353851.db2.gz ILHJIGNJNMZBPM-UHFFFAOYSA-N -1 3 380.217 3.541 20 0 GHADHM CCN(CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000296870158 918871353 /nfs/dbraw/zinc/87/13/53/918871353.db2.gz VUYUHOIRHMKGTH-UHFFFAOYSA-N -1 3 391.493 3.678 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000297152386 919104623 /nfs/dbraw/zinc/10/46/23/919104623.db2.gz VNVJPAKZNJOUQG-OAHLLOKOSA-N -1 3 399.491 3.850 20 0 GHADHM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000015385989 919373958 /nfs/dbraw/zinc/37/39/58/919373958.db2.gz YDPHXSYREHXBIM-NSHDSACASA-N -1 3 399.249 3.978 20 0 GHADHM O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1cc(F)cc2[n-]nnc21 ZINC000800257363 919796946 /nfs/dbraw/zinc/79/69/46/919796946.db2.gz GTMQGDMICOESMI-UHFFFAOYSA-N -1 3 390.346 3.856 20 0 GHADHM O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1cc(F)cc2nn[n-]c21 ZINC000800257363 919796952 /nfs/dbraw/zinc/79/69/52/919796952.db2.gz GTMQGDMICOESMI-UHFFFAOYSA-N -1 3 390.346 3.856 20 0 GHADHM O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1cc(F)cc2n[n-]nc21 ZINC000800257363 919796973 /nfs/dbraw/zinc/79/69/73/919796973.db2.gz GTMQGDMICOESMI-UHFFFAOYSA-N -1 3 390.346 3.856 20 0 GHADHM O=c1nc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)[n-]c2ccsc21 ZINC000297947455 920006263 /nfs/dbraw/zinc/00/62/63/920006263.db2.gz ASDYNFBPAGQUSA-GOSISDBHSA-N -1 3 375.881 3.542 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)NC(=O)OC(C)(C)C)nc2)n1 ZINC000364831198 920060723 /nfs/dbraw/zinc/06/07/23/920060723.db2.gz VRRXKRPYXNDZHZ-UHFFFAOYSA-N -1 3 387.484 3.522 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000900292597 920134570 /nfs/dbraw/zinc/13/45/70/920134570.db2.gz CUAVQPPZYKQBFS-HNNXBMFYSA-N -1 3 388.265 3.799 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000900486771 920341209 /nfs/dbraw/zinc/34/12/09/920341209.db2.gz ACZPCRKPTXRUES-AWEZNQCLSA-N -1 3 397.406 3.610 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000800952170 920637838 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GHADHM CC(C)SCCOC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000803282829 922853531 /nfs/dbraw/zinc/85/35/31/922853531.db2.gz OZZWCYRMPGZPLN-LJQANCHMSA-N -1 3 387.501 3.938 20 0 GHADHM Cc1cncn1C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000368921103 922973661 /nfs/dbraw/zinc/97/36/61/922973661.db2.gz XYKLMBTZSFWPAM-UHFFFAOYSA-N -1 3 375.472 3.965 20 0 GHADHM CCc1ccccc1Oc1ccc(Cl)cc1CN(C)C[C@@](C)(O)C(=O)[O-] ZINC000903606402 923122201 /nfs/dbraw/zinc/12/22/01/923122201.db2.gz AIIHWCWJYCXHGY-HXUWFJFHSA-N -1 3 377.868 3.962 20 0 GHADHM CO[C@]1(c2noc(-c3c[n-]c(=NC(=O)OC(C)(C)C)s3)n2)CCSC1 ZINC000903870511 923355544 /nfs/dbraw/zinc/35/55/44/923355544.db2.gz JCNJMFZQHYNHQB-OAHLLOKOSA-N -1 3 384.483 3.519 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000903910042 923392487 /nfs/dbraw/zinc/39/24/87/923392487.db2.gz NVLMKTLSFGTDAD-HDICACEKSA-N -1 3 380.282 3.540 20 0 GHADHM Cc1ccc(Br)cc1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903940588 923415703 /nfs/dbraw/zinc/41/57/03/923415703.db2.gz HFLADXQFVHVFKQ-XKQJLSEDSA-N -1 3 382.298 3.602 20 0 GHADHM Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1Br ZINC000903941580 923417539 /nfs/dbraw/zinc/41/75/39/923417539.db2.gz QIYJAXUVCOMFHU-NUEKZKHPSA-N -1 3 382.298 3.602 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])c2ccccc2)cc1 ZINC000677289012 924314426 /nfs/dbraw/zinc/31/44/26/924314426.db2.gz FLTHFGLVKDOJNG-JOCHJYFZSA-N -1 3 390.439 3.879 20 0 GHADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(Cl)nc3Cl)c[nH]c21 ZINC000749183424 924447553 /nfs/dbraw/zinc/44/75/53/924447553.db2.gz LFLNIDQNYDYBIR-UHFFFAOYSA-N -1 3 384.288 3.699 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)s1 ZINC000678357174 924740480 /nfs/dbraw/zinc/74/04/80/924740480.db2.gz HVHGWBAPEOMKDV-JTQLQIEISA-N -1 3 375.313 3.562 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(C3CC3)cc2)cc1OC ZINC000678482438 924794352 /nfs/dbraw/zinc/79/43/52/924794352.db2.gz GGZCYFPTOVRXBH-UHFFFAOYSA-N -1 3 389.477 3.978 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678675800 924882737 /nfs/dbraw/zinc/88/27/37/924882737.db2.gz USTMFDHQHWYKNA-CABCVRRESA-N -1 3 397.313 3.503 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001137344391 924887785 /nfs/dbraw/zinc/88/77/85/924887785.db2.gz KGLLUODEAUXFFC-XMMPIXPASA-N -1 3 394.515 3.582 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)cc1Cl ZINC000409908864 925130880 /nfs/dbraw/zinc/13/08/80/925130880.db2.gz IRSGHCCODKLDQJ-UHFFFAOYSA-N -1 3 398.834 3.541 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sc4nccn4c3C)c2)n1 ZINC000372236926 925267218 /nfs/dbraw/zinc/26/72/18/925267218.db2.gz OIOXLSMBNSUWBB-UHFFFAOYSA-N -1 3 379.445 3.682 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3COc4cc(F)cc(F)c43)cc2)cc(=O)[n-]1 ZINC000680028911 925336000 /nfs/dbraw/zinc/33/60/00/925336000.db2.gz OGUFSYHDRHOQBL-INIZCTEOSA-N -1 3 398.369 3.691 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000680434527 925477890 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GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)ccc1OCCO ZINC000543911435 928561750 /nfs/dbraw/zinc/56/17/50/928561750.db2.gz KUGOLXYZTLGGIK-UHFFFAOYSA-N -1 3 393.505 3.592 20 0 GHADHM Cc1cc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)oc2c(Br)c1 ZINC000543912153 928563040 /nfs/dbraw/zinc/56/30/40/928563040.db2.gz UWBBOUYLCJUCBB-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM Cc1cc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)oc2c(Br)c1 ZINC000543912153 928563044 /nfs/dbraw/zinc/56/30/44/928563044.db2.gz UWBBOUYLCJUCBB-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1C ZINC000467075704 928668175 /nfs/dbraw/zinc/66/81/75/928668175.db2.gz PWEXFJMXXSFOCT-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1F ZINC000752509213 928856593 /nfs/dbraw/zinc/85/65/93/928856593.db2.gz HNGLUBWNSHUYDM-UHFFFAOYSA-N -1 3 398.415 3.886 20 0 GHADHM CCCCc1oc2ccccc2c1C=CC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000752778548 929018351 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20 0 GHADHM Cc1ccc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)c(Br)c1 ZINC000544798951 929602434 /nfs/dbraw/zinc/60/24/34/929602434.db2.gz CMEGVXKZRJZKRG-UHFFFAOYSA-N -1 3 375.226 3.511 20 0 GHADHM CCOC(=O)c1sc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)nc1C ZINC000469177840 929658633 /nfs/dbraw/zinc/65/86/33/929658633.db2.gz HUKJEFIQQUJDMO-LBPRGKRZSA-N -1 3 394.468 3.673 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c1Cl ZINC000545927710 929684523 /nfs/dbraw/zinc/68/45/23/929684523.db2.gz XXLSEHPDZKSBMM-HOTGVXAUSA-N -1 3 378.321 3.785 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)Cc1cccc(Cl)c1 ZINC000757351333 929697065 /nfs/dbraw/zinc/69/70/65/929697065.db2.gz LTIZNDRPBDZJRQ-UHFFFAOYSA-N -1 3 390.336 3.583 20 0 GHADHM CCS[C@H](C)c1noc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469216127 929700560 /nfs/dbraw/zinc/70/05/60/929700560.db2.gz ZWVGZVALCXKNRR-GFCCVEGCSA-N -1 3 381.473 3.710 20 0 GHADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H](C)NC(=O)OC(C)(C)C ZINC000757673023 929767476 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CCOC(=O)c1cnc(C(C)=Cc2ccc(OC(F)F)c(OCC)c2)[n-]c1=O ZINC000470293685 930513665 /nfs/dbraw/zinc/51/36/65/930513665.db2.gz UCKPYXSHRPJXAJ-DHZHZOJOSA-N -1 3 394.374 3.920 20 0 GHADHM COc1ccccc1OC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000781070995 930692414 /nfs/dbraw/zinc/69/24/14/930692414.db2.gz OQTUVTDJXBGWED-UHFFFAOYSA-N -1 3 398.440 3.566 20 0 GHADHM COc1ccc(C)cc1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000781117884 930705604 /nfs/dbraw/zinc/70/56/04/930705604.db2.gz BMLFDYANDKAUNQ-UHFFFAOYSA-N -1 3 382.229 3.696 20 0 GHADHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470613291 930751253 /nfs/dbraw/zinc/75/12/53/930751253.db2.gz NRWFQWKIUPMYDY-SECBINFHSA-N -1 3 382.869 3.909 20 0 GHADHM Cc1oc(-c2ccccc2)c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1C ZINC000781421968 930837845 /nfs/dbraw/zinc/83/78/45/930837845.db2.gz LKQDBSIEYVHDJS-UHFFFAOYSA-N -1 3 383.425 3.738 20 0 GHADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000470737697 930872169 /nfs/dbraw/zinc/87/21/69/930872169.db2.gz QVMKLWMIVBBQDG-LBPRGKRZSA-N -1 3 385.261 3.652 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)c(C)c1 ZINC000547330054 930922087 /nfs/dbraw/zinc/92/20/87/930922087.db2.gz FDXCAFMEGWQKNI-UHFFFAOYSA-N -1 3 379.478 3.909 20 0 GHADHM C[C@@H](C1CC1)N(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000547413942 930993220 /nfs/dbraw/zinc/99/32/20/930993220.db2.gz ZMABWQDKDSFIJK-JTQLQIEISA-N -1 3 380.366 3.830 20 0 GHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000781841911 930997867 /nfs/dbraw/zinc/99/78/67/930997867.db2.gz KTEASKAUWJMGKU-GFCCVEGCSA-N -1 3 388.807 3.915 20 0 GHADHM O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085791 931189701 /nfs/dbraw/zinc/18/97/01/931189701.db2.gz SLVGCPFDDKNUFC-ZDUSSCGKSA-N -1 3 399.397 3.820 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000782474538 931235520 /nfs/dbraw/zinc/23/55/20/931235520.db2.gz JVMMGWUUJCFCTR-UHFFFAOYSA-N -1 3 380.400 3.711 20 0 GHADHM O=C(CCc1ccc2ccccc2n1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782521950 931254849 /nfs/dbraw/zinc/25/48/49/931254849.db2.gz RYSABUWWEYPZDR-UHFFFAOYSA-N -1 3 375.384 3.666 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)OCc3noc(-c4ccccc4[O-])n3)cs2)o1 ZINC000782728350 931316770 /nfs/dbraw/zinc/31/67/70/931316770.db2.gz CASRGXJJCCPTMW-UHFFFAOYSA-N -1 3 397.412 3.753 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@H]2CCCC[C@H]12 ZINC000782810143 931340073 /nfs/dbraw/zinc/34/00/73/931340073.db2.gz LGXXTAUUHCJIKF-UNEWFSDZSA-N -1 3 396.528 3.553 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCO1 ZINC000782864630 931355285 /nfs/dbraw/zinc/35/52/85/931355285.db2.gz ZSTPYEOTWAYHHH-CBGDNZLLSA-N -1 3 397.471 3.612 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCN(C)c4ccc(F)cc43)c[n-]c12 ZINC000557558709 931542072 /nfs/dbraw/zinc/54/20/72/931542072.db2.gz VVRPFZFICHVCQT-UHFFFAOYSA-N -1 3 383.398 3.601 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(CC4CC4)c4ccccc43)c[n-]c12 ZINC000557560859 931542434 /nfs/dbraw/zinc/54/24/34/931542434.db2.gz KJSLHLFKVKYKPO-UHFFFAOYSA-N -1 3 391.446 3.852 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000783596222 931591520 /nfs/dbraw/zinc/59/15/20/931591520.db2.gz SKNWNXGWFIGMBZ-CQSZACIVSA-N -1 3 385.427 3.701 20 0 GHADHM Cc1cc([C@H](C)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c(C)s1 ZINC000697622651 931690679 /nfs/dbraw/zinc/69/06/79/931690679.db2.gz KBDOVUKPLRWXGG-LBPRGKRZSA-N -1 3 392.525 3.736 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1cccnc1C(F)(F)F ZINC000557805283 931697085 /nfs/dbraw/zinc/69/70/85/931697085.db2.gz ZGQUNAPBMVXVSI-LBPRGKRZSA-N -1 3 376.787 3.720 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000784494086 931913170 /nfs/dbraw/zinc/91/31/70/931913170.db2.gz MISPIXZVGJOUPZ-UHFFFAOYSA-N -1 3 396.399 3.755 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000784614782 931957640 /nfs/dbraw/zinc/95/76/40/931957640.db2.gz FVSRZCLDEFCNPI-INIZCTEOSA-N -1 3 380.400 3.693 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000558465108 932016839 /nfs/dbraw/zinc/01/68/39/932016839.db2.gz QWKRRZNJROYWDL-INIZCTEOSA-N -1 3 399.454 3.891 20 0 GHADHM CCn1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C(F)(F)F)n1 ZINC000797951902 932469836 /nfs/dbraw/zinc/46/98/36/932469836.db2.gz JLVTYVHSRYHWSI-UHFFFAOYSA-N -1 3 392.337 3.612 20 0 GHADHM O=C(NC[C@]12C[C@H]1CCCC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000927443486 932563324 /nfs/dbraw/zinc/56/33/24/932563324.db2.gz CMSHUNBYHYNKLI-ZMZPIMSZSA-N -1 3 375.266 3.601 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000798299940 932599118 /nfs/dbraw/zinc/59/91/18/932599118.db2.gz QOCDADHSVRVCIL-INIZCTEOSA-N -1 3 380.460 3.573 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798456826 932655009 /nfs/dbraw/zinc/65/50/09/932655009.db2.gz OUPMDSSXCOUFOY-CVEARBPZSA-N -1 3 391.478 3.691 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC000928681342 933065865 /nfs/dbraw/zinc/06/58/65/933065865.db2.gz IVHUVOOGHQVMFN-UHFFFAOYSA-N -1 3 390.515 3.748 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000799783857 933118038 /nfs/dbraw/zinc/11/80/38/933118038.db2.gz KQGDFPBKOIFTOC-INIZCTEOSA-N -1 3 376.497 3.722 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c2cccnc12 ZINC001115962631 933260118 /nfs/dbraw/zinc/26/01/18/933260118.db2.gz RUVYBVWXLHADTF-UHFFFAOYSA-N -1 3 397.431 3.974 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N=c3[nH][n-]cc3Br)cs2)c(C)c1 ZINC000560541583 933327582 /nfs/dbraw/zinc/32/75/82/933327582.db2.gz CNAWZUMZVCIXKG-UHFFFAOYSA-N -1 3 377.267 3.587 20 0 GHADHM Cc1ccccc1N1C(C)=C(C(=O)N(C)C)[C@H](c2ccc([O-])c(F)c2)NC1=S ZINC001116379125 933520475 /nfs/dbraw/zinc/52/04/75/933520475.db2.gz QRKXBACMHXPGMM-IBGZPJMESA-N -1 3 399.491 3.638 20 0 GHADHM CC(C)(C)OC(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1F ZINC001116446293 933563838 /nfs/dbraw/zinc/56/38/38/933563838.db2.gz NGCRQMOVRAQOCE-UHFFFAOYSA-N -1 3 390.367 3.859 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001116758229 933740657 /nfs/dbraw/zinc/74/06/57/933740657.db2.gz RQQKAKBPQFDSDG-OAQYLSRUSA-N -1 3 391.471 3.728 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNCCC(C)(C)CCC(=O)[O-] ZINC001116779765 933750531 /nfs/dbraw/zinc/75/05/31/933750531.db2.gz PMYJFOKFDPSBOD-UHFFFAOYSA-N -1 3 375.918 3.504 20 0 GHADHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000930183219 933881365 /nfs/dbraw/zinc/88/13/65/933881365.db2.gz UCOCJTIGNNDAMD-AEFFLSMTSA-N -1 3 394.475 3.769 20 0 GHADHM O=c1[n-]c(SCC[C@@H]2CCOC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC001117801573 934032955 /nfs/dbraw/zinc/03/29/55/934032955.db2.gz STOYEYNRIPRMAJ-NSHDSACASA-N -1 3 376.869 3.693 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C ZINC000561410641 934138204 /nfs/dbraw/zinc/13/82/04/934138204.db2.gz YPMATYGAGAKSAR-UHFFFAOYSA-N -1 3 377.437 3.600 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc2ccc(Cl)nc2cc1F ZINC001118440982 934171727 /nfs/dbraw/zinc/17/17/27/934171727.db2.gz NREXCGQAQBCWLA-OUAUKWLOSA-N -1 3 390.814 3.739 20 0 GHADHM CC(C)c1nc(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cs1 ZINC001118919446 934285510 /nfs/dbraw/zinc/28/55/10/934285510.db2.gz XCLPVBNFSORGCF-CQSZACIVSA-N -1 3 388.411 3.951 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CC[C@H](F)C1 ZINC000561668879 934353074 /nfs/dbraw/zinc/35/30/74/934353074.db2.gz USKOSTPRACNNQX-KBPBESRZSA-N -1 3 394.443 3.555 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(CSC2CCCCC2)c1 ZINC001119819669 934401265 /nfs/dbraw/zinc/40/12/65/934401265.db2.gz STTYOYWYVRIWDY-MRXNPFEDSA-N -1 3 388.537 3.886 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2cc(C(F)F)ncn2)CC1 ZINC001120013651 934437466 /nfs/dbraw/zinc/43/74/66/934437466.db2.gz IKRHCYORMVJSKQ-UHFFFAOYSA-N -1 3 382.798 3.628 20 0 GHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cc(CNC(=O)OC(C)(C)C)n1C ZINC001120740316 934502767 /nfs/dbraw/zinc/50/27/67/934502767.db2.gz YTLALNMBVZJMHG-UHFFFAOYSA-N -1 3 393.871 3.970 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C)C2)cc1 ZINC000931621624 934647408 /nfs/dbraw/zinc/64/74/08/934647408.db2.gz VJGSXKXCDCLQBG-AWEZNQCLSA-N -1 3 387.505 3.978 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Br)cc1F ZINC000562224460 934768983 /nfs/dbraw/zinc/76/89/83/934768983.db2.gz XFMVTKGKHJUIAJ-SNVBAGLBSA-N -1 3 389.224 3.921 20 0 GHADHM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001121810575 934770569 /nfs/dbraw/zinc/77/05/69/934770569.db2.gz LGBXSOSMTISCOR-UXHICEINSA-N -1 3 387.524 3.643 20 0 GHADHM O=c1[n-]c(CN2CCC[C@H](Cc3nccs3)C2)nc2c3ccccc3oc21 ZINC000932197433 934847805 /nfs/dbraw/zinc/84/78/05/934847805.db2.gz PSFLMCIEIPICPA-CYBMUJFWSA-N -1 3 380.473 3.993 20 0 GHADHM CC1(C)CCC(=CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001123371792 935172291 /nfs/dbraw/zinc/17/22/91/935172291.db2.gz GMAICBPGDLQWPT-QHCPKHFHSA-N -1 3 384.520 3.749 20 0 GHADHM CC(C)Oc1ccc(Br)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001137641629 935657036 /nfs/dbraw/zinc/65/70/36/935657036.db2.gz LFYUJIOVOWYEIT-UHFFFAOYSA-N -1 3 394.221 3.923 20 0 GHADHM CCc1cc2c(CSc3ncn(-c4ccccc4)n3)cc(=O)oc2cc1[O-] ZINC000829212485 935780361 /nfs/dbraw/zinc/78/03/61/935780361.db2.gz GUJQXTWAKXRLHU-UHFFFAOYSA-N -1 3 379.441 3.934 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1[n-]cnc1C(F)(F)F ZINC000829874570 935875995 /nfs/dbraw/zinc/87/59/95/935875995.db2.gz KSCZDQQKSFRAJD-UHFFFAOYSA-N -1 3 396.369 3.978 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1nc[n-]c1C(F)(F)F ZINC000829874570 935875999 /nfs/dbraw/zinc/87/59/99/935875999.db2.gz KSCZDQQKSFRAJD-UHFFFAOYSA-N -1 3 396.369 3.978 20 0 GHADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1ccccc1OCCF)=C2 ZINC000830068590 935895474 /nfs/dbraw/zinc/89/54/74/935895474.db2.gz CLYDDHKNGOONLW-UHFFFAOYSA-N -1 3 377.437 3.773 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(N[C@H]2CCOC23CCCCC3)c1 ZINC001573279356 946637565 /nfs/dbraw/zinc/63/75/65/946637565.db2.gz GQGVGICSQSNTGG-AWEZNQCLSA-N -1 3 378.274 3.533 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(N[C@H]2CCOC23CCCCC3)c1 ZINC001573279356 946637571 /nfs/dbraw/zinc/63/75/71/946637571.db2.gz GQGVGICSQSNTGG-AWEZNQCLSA-N -1 3 378.274 3.533 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1SCc1nc2ccccc2[nH]1 ZINC001573279925 946650614 /nfs/dbraw/zinc/65/06/14/946650614.db2.gz NOLNREZDQGGHSG-UHFFFAOYSA-N -1 3 387.266 3.798 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1SCc1nc2ccccc2[nH]1 ZINC001573279925 946650619 /nfs/dbraw/zinc/65/06/19/946650619.db2.gz NOLNREZDQGGHSG-UHFFFAOYSA-N -1 3 387.266 3.798 20 0 GHADHM Brc1cccc(-c2nnn[n-]2)c1NCCc1ccc2ncccc2c1 ZINC001573280722 946667676 /nfs/dbraw/zinc/66/76/76/946667676.db2.gz ZDLCOCGJXLBSQW-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM Brc1cccc(-c2nn[n-]n2)c1NCCc1ccc2ncccc2c1 ZINC001573280722 946667682 /nfs/dbraw/zinc/66/76/82/946667682.db2.gz ZDLCOCGJXLBSQW-UHFFFAOYSA-N -1 3 395.264 3.832 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1coc2ccc(Cl)cc12 ZINC001573553194 946888622 /nfs/dbraw/zinc/88/86/22/946888622.db2.gz FTOCZAQSINUYQS-UHFFFAOYSA-N -1 3 381.779 3.721 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1coc2ccc(Cl)cc12 ZINC001573553194 946888631 /nfs/dbraw/zinc/88/86/31/946888631.db2.gz FTOCZAQSINUYQS-UHFFFAOYSA-N -1 3 381.779 3.721 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001573366435 947740145 /nfs/dbraw/zinc/74/01/45/947740145.db2.gz QBBXSHPKXBJCMP-XFXZXTDPSA-N -1 3 394.866 3.822 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001573366435 947740154 /nfs/dbraw/zinc/74/01/54/947740154.db2.gz QBBXSHPKXBJCMP-XFXZXTDPSA-N -1 3 394.866 3.822 20 0 GHADHM CC(C)(C(=O)N1CC[C@H](C2CCCCC2)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573761980 948848406 /nfs/dbraw/zinc/84/84/06/948848406.db2.gz NLPAKEJYWGZMNG-HNNXBMFYSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)(C(=O)N1CC[C@H](C2CCCCC2)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573761980 948848421 /nfs/dbraw/zinc/84/84/21/948848421.db2.gz NLPAKEJYWGZMNG-HNNXBMFYSA-N -1 3 385.487 3.712 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001574083015 948873581 /nfs/dbraw/zinc/87/35/81/948873581.db2.gz NUAFDFSEYCLUPT-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001574083015 948873602 /nfs/dbraw/zinc/87/36/02/948873602.db2.gz NUAFDFSEYCLUPT-GOSISDBHSA-N -1 3 397.866 3.513 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001575502921 949033001 /nfs/dbraw/zinc/03/30/01/949033001.db2.gz LQOVAGYXESSJPE-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001575502921 949033020 /nfs/dbraw/zinc/03/30/20/949033020.db2.gz LQOVAGYXESSJPE-GFCCVEGCSA-N -1 3 399.907 3.980 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001574092058 949039746 /nfs/dbraw/zinc/03/97/46/949039746.db2.gz RBPYQEYWTWKACV-KNQAVFIVSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001574092058 949039761 /nfs/dbraw/zinc/03/97/61/949039761.db2.gz RBPYQEYWTWKACV-KNQAVFIVSA-N -1 3 391.475 3.610 20 0 GHADHM CC(C)[C@H]1CCCCCN1C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001574092537 949063258 /nfs/dbraw/zinc/06/32/58/949063258.db2.gz RUZOHZGQHSMFPS-RBUKOAKNSA-N -1 3 382.512 3.854 20 0 GHADHM CC(C)[C@H]1CCCCCN1C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001574092537 949063275 /nfs/dbraw/zinc/06/32/75/949063275.db2.gz RUZOHZGQHSMFPS-RBUKOAKNSA-N -1 3 382.512 3.854 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001575504908 949093858 /nfs/dbraw/zinc/09/38/58/949093858.db2.gz YRRONDWCNLKGFV-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001575504908 949093878 /nfs/dbraw/zinc/09/38/78/949093878.db2.gz YRRONDWCNLKGFV-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575254790 949218902 /nfs/dbraw/zinc/21/89/02/949218902.db2.gz XVWCAPYAQDUDGK-KSFYIVLOSA-N -1 3 377.492 3.949 20 0 GHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575254790 949218921 /nfs/dbraw/zinc/21/89/21/949218921.db2.gz XVWCAPYAQDUDGK-KSFYIVLOSA-N -1 3 377.492 3.949 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001575857885 949277150 /nfs/dbraw/zinc/27/71/50/949277150.db2.gz WZEBMGDKBNKRTO-SUMWQHHRSA-N -1 3 388.244 3.910 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001575857885 949277171 /nfs/dbraw/zinc/27/71/71/949277171.db2.gz WZEBMGDKBNKRTO-SUMWQHHRSA-N -1 3 388.244 3.910 20 0 GHADHM CC(C)n1cc2ccc(NC(=O)c3ccc4c(c3)[nH]cc4-c3nnn[n-]3)cc2n1 ZINC001574454729 949284265 /nfs/dbraw/zinc/28/42/65/949284265.db2.gz BJKIUMNZJVBHIJ-UHFFFAOYSA-N -1 3 386.419 3.531 20 0 GHADHM CC(C)n1cc2ccc(NC(=O)c3ccc4c(c3)[nH]cc4-c3nn[n-]n3)cc2n1 ZINC001574454729 949284285 /nfs/dbraw/zinc/28/42/85/949284285.db2.gz BJKIUMNZJVBHIJ-UHFFFAOYSA-N -1 3 386.419 3.531 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001576159510 949519239 /nfs/dbraw/zinc/51/92/39/949519239.db2.gz XWVPKGDMNIMJQW-CXAGYDPISA-N -1 3 379.489 3.936 20 0 GHADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001576159510 949519257 /nfs/dbraw/zinc/51/92/57/949519257.db2.gz XWVPKGDMNIMJQW-CXAGYDPISA-N -1 3 379.489 3.936 20 0 GHADHM CC(C)C[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001574144973 949922152 /nfs/dbraw/zinc/92/21/52/949922152.db2.gz RNSDMZHFCKULSB-CYBMUJFWSA-N -1 3 384.509 3.829 20 0 GHADHM C[C@H](CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)Cc1ccc(Cl)cc1 ZINC001574487682 949935292 /nfs/dbraw/zinc/93/52/92/949935292.db2.gz BAYWBRRHAQSMCB-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@H](CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)Cc1ccc(Cl)cc1 ZINC001574487682 949935316 /nfs/dbraw/zinc/93/53/16/949935316.db2.gz BAYWBRRHAQSMCB-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(OC)c1 ZINC001589722957 950434796 /nfs/dbraw/zinc/43/47/96/950434796.db2.gz KJDXKPVAYRNDIO-FQEVSTJZSA-N -1 3 399.491 3.527 20 0 GHADHM CC(C)(C)c1cccc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)c1 ZINC001573881966 950759614 /nfs/dbraw/zinc/75/96/14/950759614.db2.gz LXMMIQQZIYZDIF-UHFFFAOYSA-N -1 3 375.476 3.973 20 0 GHADHM CC(C)(C)c1cccc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)c1 ZINC001573881966 950759619 /nfs/dbraw/zinc/75/96/19/950759619.db2.gz LXMMIQQZIYZDIF-UHFFFAOYSA-N -1 3 375.476 3.973 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3ccc(F)cc3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576218814 950795457 /nfs/dbraw/zinc/79/54/57/950795457.db2.gz RQTDDSVVMQUOBO-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)Cc3ccc(F)cc3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576218814 950795465 /nfs/dbraw/zinc/79/54/65/950795465.db2.gz RQTDDSVVMQUOBO-GHMZBOCLSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)c3cn4ccccc4n3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576220305 950829420 /nfs/dbraw/zinc/82/94/20/950829420.db2.gz WZWNZZJDXFRVFN-WDEREUQCSA-N -1 3 393.476 3.514 20 0 GHADHM C[C@H]1c2c(sc(NC(=O)c3cn4ccccc4n3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576220305 950829441 /nfs/dbraw/zinc/82/94/41/950829441.db2.gz WZWNZZJDXFRVFN-WDEREUQCSA-N -1 3 393.476 3.514 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC001575025096 951125331 /nfs/dbraw/zinc/12/53/31/951125331.db2.gz UYGIOABDILDQNC-ZDUSSCGKSA-N -1 3 379.489 3.794 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC001575025096 951125334 /nfs/dbraw/zinc/12/53/34/951125334.db2.gz UYGIOABDILDQNC-ZDUSSCGKSA-N -1 3 379.489 3.794 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC001138924940 960491620 /nfs/dbraw/zinc/49/16/20/960491620.db2.gz KEDAHPGXDZYVOE-UHFFFAOYSA-N -1 3 384.407 3.810 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001573985984 961789476 /nfs/dbraw/zinc/78/94/76/961789476.db2.gz HLUYAEHXZKNLHB-MRXNPFEDSA-N -1 3 379.819 3.602 20 0 GHADHM COc1ccc(CNCc2ccccc2C(=O)[O-])cc1OCc1cccnc1 ZINC001574212405 962918194 /nfs/dbraw/zinc/91/81/94/962918194.db2.gz GUXGRFBQOVMQFL-UHFFFAOYSA-N -1 3 378.428 3.657 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c1Br ZINC001475473091 1074887669 /nfs/dbraw/zinc/88/76/69/1074887669.db2.gz ZSFCZFOPWRYZOZ-UHFFFAOYSA-N -1 3 386.283 3.594 20 0 GHADHM Cc1sc2[nH]c(CN(CC(=O)[O-])CC3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC001605232114 972985342 /nfs/dbraw/zinc/98/53/42/972985342.db2.gz XABPQDOFVOLOCJ-UHFFFAOYSA-N -1 3 397.500 3.977 20 0 GHADHM COC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1cccc(Cl)c1 ZINC001625800913 1014183170 /nfs/dbraw/zinc/18/31/70/1014183170.db2.gz LXWZJDYUXXCRGL-INIZCTEOSA-N -1 3 392.789 3.577 20 0 GHADHM COC1([C@H](C(=O)[O-])N(C)Cc2ccc(Br)cc2Cl)CCC1 ZINC000517161696 974315238 /nfs/dbraw/zinc/31/52/38/974315238.db2.gz YQKOACJFGZZSNQ-ZDUSSCGKSA-N -1 3 376.678 3.557 20 0 GHADHM CC(C)OCCOC1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001591726507 975687695 /nfs/dbraw/zinc/68/76/95/975687695.db2.gz ZUNVHHXFIHPIIU-QGZVFWFLSA-N -1 3 389.414 3.737 20 0 GHADHM CC(C)c1ccc([C@H](NCC(=O)Nc2nc(CC(=O)[O-])cs2)C(C)C)cc1 ZINC001591948371 976499726 /nfs/dbraw/zinc/49/97/26/976499726.db2.gz GDNOKRPTWPVRLK-LJQANCHMSA-N -1 3 389.521 3.819 20 0 GHADHM C[C@@](CC(=O)[O-])(NCc1ccc(OCc2ccccn2)cc1)c1cccnc1 ZINC001592327391 977739912 /nfs/dbraw/zinc/73/99/12/977739912.db2.gz AHUUBQOSLMLWKE-QFIPXVFZSA-N -1 3 377.444 3.535 20 0 GHADHM C[C@H](CN(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC001592592866 978522184 /nfs/dbraw/zinc/52/21/84/978522184.db2.gz SBALQLQWBZJSQG-UZLBHIALSA-N -1 3 386.536 3.833 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000756331624 978697699 /nfs/dbraw/zinc/69/76/99/978697699.db2.gz BATVZOLEKARKCN-OALUTQOASA-N -1 3 375.852 3.813 20 0 GHADHM C[C@](Cc1ccc(F)cc1)(NCc1coc(-c2ccc(F)c(F)c2)n1)C(=O)[O-] ZINC001592853028 979641030 /nfs/dbraw/zinc/64/10/30/979641030.db2.gz AYXHIDFXIJMCGT-HXUWFJFHSA-N -1 3 390.361 3.935 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1)C(=O)[O-] ZINC001592865962 979709908 /nfs/dbraw/zinc/70/99/08/979709908.db2.gz IINDQTXTVSCUAE-DYESRHJHSA-N -1 3 395.503 3.736 20 0 GHADHM C[C@H](Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1)C(=O)[O-] ZINC001592868489 979719902 /nfs/dbraw/zinc/71/99/02/979719902.db2.gz YRUCWBGVXVNJDO-DYESRHJHSA-N -1 3 395.503 3.908 20 0 GHADHM CC[C@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1OCC(=O)N(C)C ZINC001595279298 980318000 /nfs/dbraw/zinc/31/80/00/980318000.db2.gz OMOUVOAZLOCNOA-BBRMVZONSA-N -1 3 390.505 3.715 20 0 GHADHM CC[C@](NCc1ccc(S(=O)(=O)CC)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299955 980432900 /nfs/dbraw/zinc/43/29/00/980432900.db2.gz KTQRKPIINPBJQM-LJQANCHMSA-N -1 3 395.908 3.613 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(Br)cnc1OC ZINC001595361456 980762663 /nfs/dbraw/zinc/76/26/63/980762663.db2.gz YAQCHBXDEXSHQL-INIZCTEOSA-N -1 3 393.281 3.891 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c([O-])c1 ZINC001626088928 1014872384 /nfs/dbraw/zinc/87/23/84/1014872384.db2.gz HAZVPHNCQKVZSV-QGZVFWFLSA-N -1 3 382.504 3.693 20 0 GHADHM CC[C@H](C)c1ccc([C@H](NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595009490 982934633 /nfs/dbraw/zinc/93/46/33/982934633.db2.gz HRISOGDVLDBRDT-PWIZWCRZSA-N -1 3 389.540 3.555 20 0 GHADHM CCN(C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-])[C@@H]1CCN(C)C1 ZINC001596151482 983512605 /nfs/dbraw/zinc/51/26/05/983512605.db2.gz YDQLQKIALWWZRQ-QGZVFWFLSA-N -1 3 397.475 3.522 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000468005885 1015132131 /nfs/dbraw/zinc/13/21/31/1015132131.db2.gz QRNUHEJFLPWELF-CYBMUJFWSA-N -1 3 393.287 3.909 20 0 GHADHM CCO[C@@H]1C[C@@](NCc2nc3ccccc3c(C)c2Cl)(C(=O)[O-])C1(C)C ZINC001596839073 985515240 /nfs/dbraw/zinc/51/52/40/985515240.db2.gz YAOFHQVSJSTHRK-OXQOHEQNSA-N -1 3 376.884 3.945 20 0 GHADHM Cc1[nH]c(CN2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001599961421 985787884 /nfs/dbraw/zinc/78/78/84/985787884.db2.gz FQUKJLQAGLELAZ-QVKFZJNVSA-N -1 3 391.512 3.538 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC001589504933 987116983 /nfs/dbraw/zinc/11/69/83/987116983.db2.gz PLWAPBVUKBOOHI-AWEZNQCLSA-N -1 3 375.494 3.532 20 0 GHADHM COc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccc1OC[C@H]1CCCO1 ZINC000544961168 1015288592 /nfs/dbraw/zinc/28/85/92/1015288592.db2.gz MKDRBWINMBKWSF-OAHLLOKOSA-N -1 3 382.416 3.984 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)N(C)C)cc1 ZINC001597513502 988111876 /nfs/dbraw/zinc/11/18/76/988111876.db2.gz WFRYLTMVGWSFJC-YWZLYKJASA-N -1 3 383.492 3.862 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C)CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001589854939 988394409 /nfs/dbraw/zinc/39/44/09/988394409.db2.gz KTUNWSRCEQOQOK-RDTXWAMCSA-N -1 3 387.398 3.885 20 0 GHADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001597882029 989708440 /nfs/dbraw/zinc/70/84/40/989708440.db2.gz HGNKBLPQYMPVMI-QFIPXVFZSA-N -1 3 393.487 3.645 20 0 GHADHM CC(C)(C)n1cncc1[C@@H]1CCCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001590602733 990261460 /nfs/dbraw/zinc/26/14/60/990261460.db2.gz CMODBRNWQKTIIG-MRXNPFEDSA-N -1 3 384.524 3.854 20 0 GHADHM CN(C)CCN(C)C(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001598223088 990899007 /nfs/dbraw/zinc/89/90/07/990899007.db2.gz BDSCESCBJQYDCQ-UHFFFAOYSA-N -1 3 381.885 3.792 20 0 GHADHM CC(C)[C@@](C)(NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-])C(N)=O ZINC001590967295 991077998 /nfs/dbraw/zinc/07/79/98/991077998.db2.gz QSQWRXSJHHIDKS-HSZRJFAPSA-N -1 3 391.471 3.590 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001590981328 991140919 /nfs/dbraw/zinc/14/09/19/991140919.db2.gz UGBYHOJXWPXALN-OAQYLSRUSA-N -1 3 382.504 3.590 20 0 GHADHM COc1nsc(CNC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC001599741903 991870850 /nfs/dbraw/zinc/87/08/50/991870850.db2.gz KFYDUGNDUDVQOV-CQSZACIVSA-N -1 3 396.896 3.761 20 0 GHADHM CN(CCN1CCCc2ccccc21)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598488050 992235689 /nfs/dbraw/zinc/23/56/89/992235689.db2.gz GSZCQGXUXDMPQQ-LJQANCHMSA-N -1 3 378.394 3.614 20 0 GHADHM CC(C)CN(Cc1cn(-c2ccc(F)c(Cl)c2)nn1)CC(C)(C)C(=O)[O-] ZINC001591349800 992335853 /nfs/dbraw/zinc/33/58/53/992335853.db2.gz RYJCHFWSYWAMCP-UHFFFAOYSA-N -1 3 382.867 3.629 20 0 GHADHM C[C@H](N[C@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1-c1ccc(Cl)cc1 ZINC001593221056 994318704 /nfs/dbraw/zinc/31/87/04/994318704.db2.gz XHIWJZANSDTJGG-LIRRHRJNSA-N -1 3 386.879 3.733 20 0 GHADHM COc1cccc(-c2nc(CN[C@H](C)[C@H](Cc3ccccc3)C(=O)[O-])co2)c1 ZINC001599638602 994326438 /nfs/dbraw/zinc/32/64/38/994326438.db2.gz BBZDIRWFAWTUCY-QRWLVFNGSA-N -1 3 380.444 3.772 20 0 GHADHM C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(OCC(=O)[O-])cc1 ZINC001593292399 994675990 /nfs/dbraw/zinc/67/59/90/994675990.db2.gz KQINSDAHZJSZJC-CYBMUJFWSA-N -1 3 391.851 3.816 20 0 GHADHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC001598718271 995442490 /nfs/dbraw/zinc/44/24/90/995442490.db2.gz NMXYXDVZTQYVKR-INIZCTEOSA-N -1 3 387.379 3.527 20 0 GHADHM C[C@H](c1cccc(Br)c1)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593697996 996159951 /nfs/dbraw/zinc/15/99/51/996159951.db2.gz CNSRHJYXMNFXBS-FZKQIMNGSA-N -1 3 382.298 3.592 20 0 GHADHM C[C@@H](c1cccc(Cl)c1)N1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593698415 996163823 /nfs/dbraw/zinc/16/38/23/996163823.db2.gz JOQODAHDTVPCLY-BBRMVZONSA-N -1 3 394.899 3.655 20 0 GHADHM CC1(C(=O)OCc2ccccc2CC(=O)[O-])CCN(Cc2ccccc2)CC1 ZINC001593813750 996546019 /nfs/dbraw/zinc/54/60/19/996546019.db2.gz SMYKFZQMTSPELL-UHFFFAOYSA-N -1 3 381.472 3.659 20 0 GHADHM COc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2C)N2CCCC2)cc1 ZINC001599517922 997425147 /nfs/dbraw/zinc/42/51/47/997425147.db2.gz YGZRWYPHOCRJCR-HXUWFJFHSA-N -1 3 397.475 3.660 20 0 GHADHM COc1cc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc(OC)c1 ZINC001599415087 997492194 /nfs/dbraw/zinc/49/21/94/997492194.db2.gz HMCPDYLQTFJHLV-UHFFFAOYSA-N -1 3 384.457 3.815 20 0 GHADHM COc1ccc([C@H](NCc2ccc(Oc3cccnc3)c(C)c2)C(=O)[O-])cc1O ZINC001599533225 997697029 /nfs/dbraw/zinc/69/70/29/997697029.db2.gz WZHAJSKELZEQOM-NRFANRHFSA-N -1 3 394.427 3.812 20 0 GHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)[C@H](CO)C(C)C)cc1 ZINC001599558139 998131745 /nfs/dbraw/zinc/13/17/45/998131745.db2.gz ABHQXKHWMNSLMP-HXUWFJFHSA-N -1 3 388.508 3.864 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC2(CC1)c1ccccc1N=C2C ZINC001594120333 998268542 /nfs/dbraw/zinc/26/85/42/998268542.db2.gz FNAQGCOQAHWARG-UHFFFAOYSA-N -1 3 380.492 3.614 20 0 GHADHM O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccncc1[O-] ZINC000468934651 1016243533 /nfs/dbraw/zinc/24/35/33/1016243533.db2.gz JWUAPRNBYCTFOU-UHFFFAOYSA-N -1 3 393.230 3.527 20 0 GHADHM COC(=O)c1cccc([C@@H](N[C@H]2CCCc3c(F)cc(F)cc32)C(=O)[O-])c1 ZINC001598996453 998784376 /nfs/dbraw/zinc/78/43/76/998784376.db2.gz RNUZYLVUUCAVMO-ZWKOTPCHSA-N -1 3 375.371 3.544 20 0 GHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(O[C@@H]2CCOC2)c1 ZINC000468958669 1016274175 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CETLMZPNRQJYPF-UHFFFAOYSA-N -1 3 395.499 3.589 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N(Cc3cc[nH]n3)Cc3ccccc3)c2c1 ZINC001154510669 1032152765 /nfs/dbraw/zinc/15/27/65/1032152765.db2.gz HCSIAUNRCSHBDP-UHFFFAOYSA-N -1 3 388.427 3.515 20 0 GHADHM COc1ccc2ncc([O-])c(C(=O)N3CCO[C@@](C)(c4ccc(C)cc4)C3)c2c1 ZINC001154510785 1032153338 /nfs/dbraw/zinc/15/33/38/1032153338.db2.gz LBHIQDVFZKPOSZ-HSZRJFAPSA-N -1 3 392.455 3.645 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N(Cc3cccnc3)Cc3ccccn3)c2c1 ZINC001154530311 1032167514 /nfs/dbraw/zinc/16/75/14/1032167514.db2.gz FDTXJFAJZMGEGM-UHFFFAOYSA-N -1 3 384.439 3.881 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccc(Cl)cc21)c1cccnc1Cl ZINC000316650852 1032226831 /nfs/dbraw/zinc/22/68/31/1032226831.db2.gz PWNXCYGPOQQIMF-LLVKDONJSA-N -1 3 375.302 3.904 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3ccccc3n2C(=O)OC(C)(C)C)[n-]1 ZINC001154885481 1032327183 /nfs/dbraw/zinc/32/71/83/1032327183.db2.gz KBTGYTRABMABND-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc3ccccc3n2C(=O)OC(C)(C)C)c[n-]1 ZINC001154885481 1032327187 /nfs/dbraw/zinc/32/71/87/1032327187.db2.gz KBTGYTRABMABND-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@@H]1C[C@H]1C1CC1 ZINC001155293801 1032488390 /nfs/dbraw/zinc/48/83/90/1032488390.db2.gz MGIMSFUPMPSAAB-BAGYTPMASA-N -1 3 392.499 3.806 20 0 GHADHM COC(=O)c1ccc([O-])c(O[C@H](C(=O)c2ccsc2)c2ccsc2)n1 ZINC001227820152 1032628962 /nfs/dbraw/zinc/62/89/62/1032628962.db2.gz OTULEHDCWUUXFT-HNNXBMFYSA-N -1 3 375.427 3.700 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000558478844 1017208365 /nfs/dbraw/zinc/20/83/65/1017208365.db2.gz RSYQLEBQAZRATA-CQSZACIVSA-N -1 3 381.505 3.503 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCSc2ccc(Cl)cc2)cc1 ZINC000928980617 1017584952 /nfs/dbraw/zinc/58/49/52/1017584952.db2.gz JEKYRFWXAOAHPH-UHFFFAOYSA-N -1 3 385.894 3.661 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2[n-]c(=O)nc3cccnc32)C1 ZINC001228003807 1032734794 /nfs/dbraw/zinc/73/47/94/1032734794.db2.gz FQPOGRQNYBRZJH-MRXNPFEDSA-N -1 3 394.431 3.601 20 0 GHADHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c3ccccc3)cn21 ZINC000562781814 1018635530 /nfs/dbraw/zinc/63/55/30/1018635530.db2.gz WWOUSSQAMBMRDS-GXTWGEPZSA-N -1 3 387.427 3.752 20 0 GHADHM CCN1CCC(Oc2cc(OC)ccc2C(=O)c2ccc(OC)cc2[O-])CC1 ZINC001228115870 1032789420 /nfs/dbraw/zinc/78/94/20/1032789420.db2.gz MKCBKKZCWBMBPG-UHFFFAOYSA-N -1 3 385.460 3.504 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001228133987 1032802721 /nfs/dbraw/zinc/80/27/21/1032802721.db2.gz LBZULOCQHNJGIY-LJQANCHMSA-N -1 3 383.488 3.827 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(-c4cc(C5CC5)on4)n3)n[n-]2)c1 ZINC000568492432 1019413920 /nfs/dbraw/zinc/41/39/20/1019413920.db2.gz NWMUYERLDHHIJO-UHFFFAOYSA-N -1 3 399.208 3.817 20 0 GHADHM NC1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)CCCCC1 ZINC000573912916 1019845932 /nfs/dbraw/zinc/84/59/32/1019845932.db2.gz UQSZIWUWNWUAES-UHFFFAOYSA-N -1 3 398.488 3.656 20 0 GHADHM C[C@H](c1ccc(F)cc1)N1CC[C@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000575734034 1019941137 /nfs/dbraw/zinc/94/11/37/1019941137.db2.gz DLUYCAIVISDGRI-PXAZEXFGSA-N -1 3 387.480 3.794 20 0 GHADHM O=C([O-])C[C@@H](NCc1ccc(-n2cncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000579138666 1020388694 /nfs/dbraw/zinc/38/86/94/1020388694.db2.gz VJCXCDTVMMRBQH-QGZVFWFLSA-N -1 3 390.365 3.592 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC(C)(C)CC(C)(C)C3)c(=O)c2c(OC)c1 ZINC000628081624 1020658097 /nfs/dbraw/zinc/65/80/97/1020658097.db2.gz ZAVOFFYSQCLEBR-UHFFFAOYSA-N -1 3 386.492 3.834 20 0 GHADHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)C=Cc1ccc(Br)cc1 ZINC000779810957 1020957590 /nfs/dbraw/zinc/95/75/90/1020957590.db2.gz MMGGCZKNASQCGW-SREVYHEPSA-N -1 3 392.225 3.831 20 0 GHADHM Cc1ccc(C)c(N(C(=O)CCc2c(C)nc(C)[n-]c2=O)C2CCOCC2)c1 ZINC000637684665 1021027069 /nfs/dbraw/zinc/02/70/69/1021027069.db2.gz YFIQCIYSYLSZFC-UHFFFAOYSA-N -1 3 383.492 3.561 20 0 GHADHM O=S(=O)([N-]C1CC(F)(c2cccc(Cl)c2)C1)c1cccnc1Cl ZINC000795419987 1021057018 /nfs/dbraw/zinc/05/70/18/1021057018.db2.gz NKRAWBOWXGZGBV-UHFFFAOYSA-N -1 3 375.252 3.694 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000642376331 1021090431 /nfs/dbraw/zinc/09/04/31/1021090431.db2.gz LQMFLQOECCVZIU-LLVKDONJSA-N -1 3 383.395 3.918 20 0 GHADHM CC(C)[C@@H]1C[C@@](NCc2cccc(C(=O)N(C)C)c2)(C(=O)[O-])c2ccccc21 ZINC000900035612 1021297931 /nfs/dbraw/zinc/29/79/31/1021297931.db2.gz JLIZFDVVZOTPRE-CVDCTZTESA-N -1 3 380.488 3.601 20 0 GHADHM CC(C)Oc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000903941395 1021660686 /nfs/dbraw/zinc/66/06/86/1021660686.db2.gz NZABMAFILQMKET-IEZWGBDMSA-N -1 3 381.900 3.971 20 0 GHADHM CCc1ccc(CN(CC(C)C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000826946731 1021849173 /nfs/dbraw/zinc/84/91/73/1021849173.db2.gz PEBVXGWLKBGNCH-UHFFFAOYSA-N -1 3 383.418 3.754 20 0 GHADHM Cc1ccc(CN(CC(C)C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000826945866 1021849689 /nfs/dbraw/zinc/84/96/89/1021849689.db2.gz HAUGMJWMPCIGGU-UHFFFAOYSA-N -1 3 383.418 3.808 20 0 GHADHM Cc1[nH]c(CN2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c(C)c1C(=O)[O-] ZINC001140501384 1021875046 /nfs/dbraw/zinc/87/50/46/1021875046.db2.gz VGKTZSLJRNXXDV-UHFFFAOYSA-N -1 3 391.512 3.553 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001228627206 1033017035 /nfs/dbraw/zinc/01/70/35/1033017035.db2.gz DEPCIFSSEIQBOY-OLZOCXBDSA-N -1 3 375.421 3.584 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)c2)n1 ZINC000835183912 1021947760 /nfs/dbraw/zinc/94/77/60/1021947760.db2.gz ICLVZQBWFRHEGX-KRWDZBQOSA-N -1 3 399.491 3.640 20 0 GHADHM CCOC(=O)CN(Cc1ccccc1)Cc1cccc([O-])c1Br ZINC001140547960 1021949327 /nfs/dbraw/zinc/94/93/27/1021949327.db2.gz XXKYCVVODDZCES-UHFFFAOYSA-N -1 3 378.266 3.720 20 0 GHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCN1C(=O)OC(C)(C)C ZINC001140547523 1021949355 /nfs/dbraw/zinc/94/93/55/1021949355.db2.gz JNCGEONTMDFYPR-GFCCVEGCSA-N -1 3 385.302 3.596 20 0 GHADHM O=C(C1CCN(Cc2cccc([O-])c2Br)CC1)N1CCCCCC1 ZINC001140548918 1021950594 /nfs/dbraw/zinc/95/05/94/1021950594.db2.gz XZEZKHQXWRUAQJ-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000682476005 1022360391 /nfs/dbraw/zinc/36/03/91/1022360391.db2.gz DYKHFLLWNYKXDK-HNNXBMFYSA-N -1 3 392.421 3.775 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)CC12CCC2 ZINC001228699988 1033053300 /nfs/dbraw/zinc/05/33/00/1033053300.db2.gz MLVXJEKCKCWBTQ-OAHLLOKOSA-N -1 3 385.468 3.568 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1Br ZINC001228713093 1033059220 /nfs/dbraw/zinc/05/92/20/1033059220.db2.gz HMRCXSADTQJXFG-JTQLQIEISA-N -1 3 397.294 3.773 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc(OC)c1[O-] ZINC000754276423 1022577195 /nfs/dbraw/zinc/57/71/95/1022577195.db2.gz NRXMPIOFUFNQKF-CYBMUJFWSA-N -1 3 395.411 3.747 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140887919 1022802776 /nfs/dbraw/zinc/80/27/76/1022802776.db2.gz JDDDJYDHVMIAPI-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140888407 1022804657 /nfs/dbraw/zinc/80/46/57/1022804657.db2.gz RSAVHOJFCUHLTC-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM O=C1OC[C@@H]2[C@H](N(Cc3ccccc3)Cc3ccc([O-])c(F)c3F)CCCN12 ZINC001140893149 1022817333 /nfs/dbraw/zinc/81/73/33/1022817333.db2.gz IVIQVKCMDMSJPP-IAGOWNOFSA-N -1 3 388.414 3.656 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@H]1CCCCO1 ZINC000754796751 1022901780 /nfs/dbraw/zinc/90/17/80/1022901780.db2.gz DQECCTRSARSOJG-RTWAWAEBSA-N -1 3 397.471 3.756 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1CN(C)c1ccccc1 ZINC000836575092 1023134895 /nfs/dbraw/zinc/13/48/95/1023134895.db2.gz HODUYQJRXLAHLK-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000836575092 1023134906 /nfs/dbraw/zinc/13/49/06/1023134906.db2.gz HODUYQJRXLAHLK-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM CC[C@](C)(NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000755293636 1023175122 /nfs/dbraw/zinc/17/51/22/1023175122.db2.gz FVVQJQFSQUURNP-QFIPXVFZSA-N -1 3 393.443 3.996 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2C1 ZINC000836845126 1023404523 /nfs/dbraw/zinc/40/45/23/1023404523.db2.gz JMRGRUNBSIZNSX-UHFFFAOYSA-N -1 3 397.410 3.600 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)c1cc([O-])ccc1Cl ZINC000836940411 1023480980 /nfs/dbraw/zinc/48/09/80/1023480980.db2.gz HQTQVPBATGNFKF-CYBMUJFWSA-N -1 3 382.888 3.955 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228856072 1033137932 /nfs/dbraw/zinc/13/79/32/1033137932.db2.gz VHROIGGYUSSNJG-SFHVURJKSA-N -1 3 376.355 3.840 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000836952172 1023505738 /nfs/dbraw/zinc/50/57/38/1023505738.db2.gz QXRMWWJDKDCYDG-SFHVURJKSA-N -1 3 388.508 3.890 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)cc(C)c2n1 ZINC001156645645 1033152945 /nfs/dbraw/zinc/15/29/45/1033152945.db2.gz XDSBAQWJUITRPT-UHFFFAOYSA-N -1 3 385.427 3.647 20 0 GHADHM COC(=O)[C@H](C)[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000757048545 1023919602 /nfs/dbraw/zinc/91/96/02/1023919602.db2.gz XQUGWSIPVMWBFT-BZNIZROVSA-N -1 3 383.341 3.723 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(SC)ccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000831224528 1024435208 /nfs/dbraw/zinc/43/52/08/1024435208.db2.gz KGNIPJVCWVGNSW-XJKSGUPXSA-N -1 3 394.537 3.880 20 0 GHADHM COc1c(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)oc2ccccc21 ZINC001138362819 1024728104 /nfs/dbraw/zinc/72/81/04/1024728104.db2.gz HQMVFPICUOTJDK-UHFFFAOYSA-N -1 3 375.327 3.542 20 0 GHADHM CO[C@H](Cc1ccccc1)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000837841922 1024747442 /nfs/dbraw/zinc/74/74/42/1024747442.db2.gz QOTQQDVHIABEKR-SWLSCSKDSA-N -1 3 386.473 3.876 20 0 GHADHM CC[C@@H](NC(=O)COC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000838140229 1024942134 /nfs/dbraw/zinc/94/21/34/1024942134.db2.gz DOUCXYVUTCIRAC-MRXNPFEDSA-N -1 3 379.815 3.538 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H]3Cc4cccc(C)c4O3)nc(=O)c2c1C ZINC000838242399 1025016995 /nfs/dbraw/zinc/01/69/95/1025016995.db2.gz ILZUSJGCLSLRKZ-RISCZKNCSA-N -1 3 384.457 3.930 20 0 GHADHM O=C(NCc1c(F)cc(F)c(F)c1F)c1cc([O-])cc(Br)c1 ZINC001156847288 1033276010 /nfs/dbraw/zinc/27/60/10/1033276010.db2.gz STKHTDRLWJFKBO-UHFFFAOYSA-N -1 3 378.119 3.641 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC001141508140 1025327897 /nfs/dbraw/zinc/32/78/97/1025327897.db2.gz LOVQIMZIIZTVGL-UHFFFAOYSA-N -1 3 390.336 3.889 20 0 GHADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([O-])c1Br ZINC000838861411 1025401451 /nfs/dbraw/zinc/40/14/51/1025401451.db2.gz GHZGEEWVTHOLCQ-OLZOCXBDSA-N -1 3 399.329 3.890 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1ccc(N2CCOC2=O)cc1 ZINC000838916224 1025441882 /nfs/dbraw/zinc/44/18/82/1025441882.db2.gz FNPBSCOETQJTAJ-GFCCVEGCSA-N -1 3 391.265 3.962 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000838994745 1025507931 /nfs/dbraw/zinc/50/79/31/1025507931.db2.gz MADKQZMRZBNQHL-STQMWFEESA-N -1 3 399.329 3.890 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000839339639 1025821862 /nfs/dbraw/zinc/82/18/62/1025821862.db2.gz LHFMDUHJBBVRPC-UHFFFAOYSA-N -1 3 385.342 3.960 20 0 GHADHM Cc1ccccc1[C@]1(F)CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001139043134 1025827126 /nfs/dbraw/zinc/82/71/26/1025827126.db2.gz ZPKYQRQDUKKLRJ-NRFANRHFSA-N -1 3 386.373 3.826 20 0 GHADHM COCCOc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1 ZINC001141601347 1025827016 /nfs/dbraw/zinc/82/70/16/1025827016.db2.gz LLZUJAZZEUIXOZ-UHFFFAOYSA-N -1 3 394.427 3.649 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)C1CCCCC1 ZINC001162687343 1025874236 /nfs/dbraw/zinc/87/42/36/1025874236.db2.gz UFGLNHQNODDOPR-CYBMUJFWSA-N -1 3 395.459 3.691 20 0 GHADHM CN(CCc1cccs1)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139240152 1026087317 /nfs/dbraw/zinc/08/73/17/1026087317.db2.gz QIRKWUVYOJJFAF-UHFFFAOYSA-N -1 3 384.295 3.649 20 0 GHADHM CN(CCc1cccc(F)c1)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139244515 1026093838 /nfs/dbraw/zinc/09/38/38/1026093838.db2.gz XEGUGDPKETVNGH-UHFFFAOYSA-N -1 3 396.256 3.726 20 0 GHADHM Cc1nc(C[N-]C(=O)C(F)(F)c2ccc(C)cc2)sc1Br ZINC000833612011 1026599408 /nfs/dbraw/zinc/59/94/08/1026599408.db2.gz MRUFFNQHFOCBBU-UHFFFAOYSA-N -1 3 375.238 3.931 20 0 GHADHM CCOC(=O)C(=Cc1cnn(C)c1Cl)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000834407672 1026976210 /nfs/dbraw/zinc/97/62/10/1026976210.db2.gz CKVBBYTVFUYTHV-WDZFZDKYSA-N -1 3 392.868 3.504 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Br)cc1F ZINC001141799445 1027314969 /nfs/dbraw/zinc/31/49/69/1027314969.db2.gz JNOXDHJVWCHZGY-MRVPVSSYSA-N -1 3 382.185 3.514 20 0 GHADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001210131748 1027352006 /nfs/dbraw/zinc/35/20/06/1027352006.db2.gz QNHHJMLFYHJUQJ-VHSXEESVSA-N -1 3 382.295 3.700 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)(C)C ZINC001210143875 1027358367 /nfs/dbraw/zinc/35/83/67/1027358367.db2.gz YQCJKVMHSIAFQL-ZDUSSCGKSA-N -1 3 388.942 3.803 20 0 GHADHM CCOC(=O)COc1cc(Nc2cccc(Cl)c2[O-])ccc1C(=O)OC ZINC001210222361 1027391849 /nfs/dbraw/zinc/39/18/49/1027391849.db2.gz DMNAWTIOUHKIMP-UHFFFAOYSA-N -1 3 379.796 3.518 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001141843611 1027414039 /nfs/dbraw/zinc/41/40/39/1027414039.db2.gz OHWNGNNBFJPLFY-OQLLNIDSSA-N -1 3 391.328 3.758 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C(F)=Cc1ccc(C(F)(F)F)cc1 ZINC001141843611 1027414058 /nfs/dbraw/zinc/41/40/58/1027414058.db2.gz OHWNGNNBFJPLFY-OQLLNIDSSA-N -1 3 391.328 3.758 20 0 GHADHM Cc1nc(-c2ccnc([N-]C(=O)c3cc(-c4cccc(Cl)c4F)no3)c2)n[nH]1 ZINC001141850698 1027437568 /nfs/dbraw/zinc/43/75/68/1027437568.db2.gz OLFIZTITQNAEKD-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H]3CCC(F)(F)C3)n2)cc1 ZINC001210902810 1027700548 /nfs/dbraw/zinc/70/05/48/1027700548.db2.gz MVIWSRXBNTUWOS-OCCSQVGLSA-N -1 3 399.463 3.715 20 0 GHADHM Cc1nc2c(cc([N-]S(=O)(=O)c3ccc(N)c(C)c3)cc2F)n1C(C)C ZINC001210924254 1027707617 /nfs/dbraw/zinc/70/76/17/1027707617.db2.gz PVBLGPFBWHFJRC-UHFFFAOYSA-N -1 3 376.457 3.756 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)c(F)c1F ZINC001210944614 1027714605 /nfs/dbraw/zinc/71/46/05/1027714605.db2.gz XNCQLZFMWLQLAK-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C(C)C)s1 ZINC001211459560 1027970392 /nfs/dbraw/zinc/97/03/92/1027970392.db2.gz WUZBBHVVVVMHNE-RDTXWAMCSA-N -1 3 393.530 3.773 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F ZINC001213194079 1028039316 /nfs/dbraw/zinc/03/93/16/1028039316.db2.gz MJWFRRKUDOFODT-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCCc3c(C)cccc32)c1 ZINC001213225007 1028053006 /nfs/dbraw/zinc/05/30/06/1028053006.db2.gz BSDODBMPKWUMCA-QGZVFWFLSA-N -1 3 391.464 3.585 20 0 GHADHM O=c1cc(-c2nc(-c3cc(F)c(Br)c(F)c3)no2)nc(C2CC2)[n-]1 ZINC001213261228 1028075460 /nfs/dbraw/zinc/07/54/60/1028075460.db2.gz KAPQUKBOIRJLCH-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(Cl)cc21 ZINC001213280924 1028086050 /nfs/dbraw/zinc/08/60/50/1028086050.db2.gz GBNPXYQGTWWASM-MRXNPFEDSA-N -1 3 397.855 3.622 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)C)c1 ZINC001213329835 1028113947 /nfs/dbraw/zinc/11/39/47/1028113947.db2.gz AKHIOMVUMZSJBI-IBGZPJMESA-N -1 3 393.480 3.905 20 0 GHADHM Cc1ccc(N2CC[C@@H]3CN(Cc4c(Cl)cc([O-])cc4Cl)C[C@@H]3C2)nn1 ZINC001142109470 1028129304 /nfs/dbraw/zinc/12/93/04/1028129304.db2.gz RIYPAANAGJFFFQ-ZIAGYGMSSA-N -1 3 393.318 3.756 20 0 GHADHM Cn1cc2c(n1)CN(Cc1c(Cl)cc([O-])cc1Cl)C[C@@H]2COCC1CC1 ZINC001142109516 1028131094 /nfs/dbraw/zinc/13/10/94/1028131094.db2.gz SQXMRTGIYWVDSK-CYBMUJFWSA-N -1 3 396.318 3.959 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)c2ccc(F)c3ccccc23)cc1F ZINC001213453857 1028200902 /nfs/dbraw/zinc/20/09/02/1028200902.db2.gz MRHBOFNLJHDQOY-UHFFFAOYSA-N -1 3 393.386 3.727 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1ccccc1OC ZINC001213476038 1028209222 /nfs/dbraw/zinc/20/92/22/1028209222.db2.gz HGOJXZBVTVPBCZ-GFCCVEGCSA-N -1 3 375.277 3.827 20 0 GHADHM Cc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)ccc1I ZINC001213500192 1028229987 /nfs/dbraw/zinc/22/99/87/1028229987.db2.gz BHGZPFNDHFKEKV-UHFFFAOYSA-N -1 3 386.580 3.693 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CCS1 ZINC001213863769 1028417389 /nfs/dbraw/zinc/41/73/89/1028417389.db2.gz MAKQJNTWCFWMBO-SNVBAGLBSA-N -1 3 382.320 3.541 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3C)no2)[n-]1 ZINC001213974802 1028483838 /nfs/dbraw/zinc/48/38/38/1028483838.db2.gz BLJBPWVZUZVEPN-UHFFFAOYSA-N -1 3 376.210 3.979 20 0 GHADHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@@H]1O ZINC000841542307 1028723289 /nfs/dbraw/zinc/72/32/89/1028723289.db2.gz GGCYNBVAFHGJDC-JAWCLOOUSA-N -1 3 399.921 3.565 20 0 GHADHM COc1cccc(CSC[C@H](NCc2cc(Cl)ccc2OC)C(=O)[O-])c1 ZINC000841801783 1028949764 /nfs/dbraw/zinc/94/97/64/1028949764.db2.gz XOTZUFRVWBEAQE-KRWDZBQOSA-N -1 3 395.908 3.833 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@H](CC(F)F)C(=O)[O-] ZINC000841807788 1028957418 /nfs/dbraw/zinc/95/74/18/1028957418.db2.gz UMCHFYZCPGHACN-CYBMUJFWSA-N -1 3 392.233 3.745 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNC[C@@H](CC(=O)[O-])C(F)F ZINC000841812864 1028962145 /nfs/dbraw/zinc/96/21/45/1028962145.db2.gz ZUDSTYPKQJNRDT-CYBMUJFWSA-N -1 3 385.842 3.897 20 0 GHADHM Cc1ccc2nc(C3CCN(Cc4ccc(Cl)cc4C(=O)[O-])CC3)nn2c1 ZINC001142653480 1029211756 /nfs/dbraw/zinc/21/17/56/1029211756.db2.gz MTELLKXVZJXEIR-UHFFFAOYSA-N -1 3 384.867 3.769 20 0 GHADHM Clc1ccnc2cccc(-c3noc(-c4ccccc4-c4nnn[n-]4)n3)c12 ZINC001216014390 1029492871 /nfs/dbraw/zinc/49/28/71/1029492871.db2.gz LDOMCDALHGAEHC-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2cccc(-c3noc(-c4ccccc4-c4nn[n-]n4)n3)c12 ZINC001216014390 1029492877 /nfs/dbraw/zinc/49/28/77/1029492877.db2.gz LDOMCDALHGAEHC-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM c1ccc(COc2cc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)ccn2)cc1 ZINC001216121001 1029531921 /nfs/dbraw/zinc/53/19/21/1029531921.db2.gz HGTDRYZIWZTLPB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2cc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)ccn2)cc1 ZINC001216121001 1029531932 /nfs/dbraw/zinc/53/19/32/1029531932.db2.gz HGTDRYZIWZTLPB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CCOc1ccc(Cl)cc1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001216446928 1029641763 /nfs/dbraw/zinc/64/17/63/1029641763.db2.gz IDUAFDQBAMGCDR-UHFFFAOYSA-N -1 3 381.860 3.920 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2csc(C3CCCC3)n2)[n-]n1 ZINC001142905621 1029667944 /nfs/dbraw/zinc/66/79/44/1029667944.db2.gz KGSNIWFSHQYELU-UHFFFAOYSA-N -1 3 376.482 3.660 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2csc(C3CCCC3)n2)n[n-]1 ZINC001142905621 1029667949 /nfs/dbraw/zinc/66/79/49/1029667949.db2.gz KGSNIWFSHQYELU-UHFFFAOYSA-N -1 3 376.482 3.660 20 0 GHADHM Cc1c(Br)ccc(-c2noc(-c3c([O-])cc(O)cc3O)n2)c1F ZINC001216728958 1029906959 /nfs/dbraw/zinc/90/69/59/1029906959.db2.gz VOARHBXKXQAUAB-UHFFFAOYSA-N -1 3 381.157 3.730 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2cccc(-c3nc(-c4cccnc4)no3)c2)no1 ZINC001216735767 1029911407 /nfs/dbraw/zinc/91/14/07/1029911407.db2.gz VGJMXGIPWYHSLN-UHFFFAOYSA-N -1 3 399.366 3.927 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001216959829 1030032671 /nfs/dbraw/zinc/03/26/71/1030032671.db2.gz WRNIGEPONKVPFZ-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O ZINC001149737001 1030287767 /nfs/dbraw/zinc/28/77/67/1030287767.db2.gz LDPBOVPJVPHVOV-UHFFFAOYSA-N -1 3 396.830 3.711 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc2)n1 ZINC001150053962 1030386613 /nfs/dbraw/zinc/38/66/13/1030386613.db2.gz OWPJLHOREGTFPF-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM Cn1cnc2ccc(NC(=O)c3c[n-]c4ccc(C(F)(F)F)cc4c3=O)cc21 ZINC001150469695 1030537265 /nfs/dbraw/zinc/53/72/65/1030537265.db2.gz CRYPBJMSUPQKKM-UHFFFAOYSA-N -1 3 386.333 3.686 20 0 GHADHM Cc1cc2c(cn1)[C@@H](NC(=O)c1c[n-]c3ccc(C(F)(F)F)cc3c1=O)CC2 ZINC001150476344 1030538586 /nfs/dbraw/zinc/53/85/86/1030538586.db2.gz GXUDZFPHDNSWGB-KRWDZBQOSA-N -1 3 387.361 3.668 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H](C)c3cccnc3F)nc21 ZINC001223402542 1030556325 /nfs/dbraw/zinc/55/63/25/1030556325.db2.gz DYSQKAFQBUCSTL-XYZCENFISA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H](C)c3cccnc3F)[n-]c21 ZINC001223402542 1030556327 /nfs/dbraw/zinc/55/63/27/1030556327.db2.gz DYSQKAFQBUCSTL-XYZCENFISA-N -1 3 381.766 3.980 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H]3CCC(=O)CC3(C)C)nc21 ZINC001223405096 1030558986 /nfs/dbraw/zinc/55/89/86/1030558986.db2.gz XTJHWGKWWMNSFR-ACJLOTCBSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H]3CCC(=O)CC3(C)C)[n-]c21 ZINC001223405096 1030558994 /nfs/dbraw/zinc/55/89/94/1030558994.db2.gz XTJHWGKWWMNSFR-ACJLOTCBSA-N -1 3 382.819 3.833 20 0 GHADHM Cc1cc(Cl)cc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000130744754 1030653844 /nfs/dbraw/zinc/65/38/44/1030653844.db2.gz KTLITSNXTFUKON-UHFFFAOYSA-N -1 3 396.871 3.789 20 0 GHADHM COc1nnc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)[n-]1 ZINC001151030948 1030750769 /nfs/dbraw/zinc/75/07/69/1030750769.db2.gz ARERHZIYIOUGSY-UHFFFAOYSA-N -1 3 384.339 3.693 20 0 GHADHM COc1nc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n[n-]1 ZINC001151030948 1030750789 /nfs/dbraw/zinc/75/07/89/1030750789.db2.gz ARERHZIYIOUGSY-UHFFFAOYSA-N -1 3 384.339 3.693 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1 ZINC001151030948 1030750800 /nfs/dbraw/zinc/75/08/00/1030750800.db2.gz ARERHZIYIOUGSY-UHFFFAOYSA-N -1 3 384.339 3.693 20 0 GHADHM O=c1c(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218088771 1030764467 /nfs/dbraw/zinc/76/44/67/1030764467.db2.gz BRCGFXVNTUNQBI-WZONZLPQSA-N -1 3 393.439 3.782 20 0 GHADHM Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001151679269 1030970127 /nfs/dbraw/zinc/97/01/27/1030970127.db2.gz YBUKTXBGADRLEA-OAHLLOKOSA-N -1 3 376.497 3.856 20 0 GHADHM COc1ccc(N(C)C(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c(OC)c1 ZINC001151776989 1030997840 /nfs/dbraw/zinc/99/78/40/1030997840.db2.gz RWVCQTXHQANECP-UHFFFAOYSA-N -1 3 394.427 3.666 20 0 GHADHM O=C(Nc1ccccc1-c1cc[nH]n1)c1nc2cc(Br)ccc2[n-]1 ZINC001151826917 1031022756 /nfs/dbraw/zinc/02/27/56/1031022756.db2.gz QVQUNFWESMIZIH-UHFFFAOYSA-N -1 3 382.221 3.968 20 0 GHADHM O=C(Nc1ccccc1-c1cc[nH]n1)c1nc2ccc(Br)cc2[n-]1 ZINC001151826917 1031022773 /nfs/dbraw/zinc/02/27/73/1031022773.db2.gz QVQUNFWESMIZIH-UHFFFAOYSA-N -1 3 382.221 3.968 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnc3cc(N)ccc3c2)c([O-])c1 ZINC001219360437 1031377921 /nfs/dbraw/zinc/37/79/21/1031377921.db2.gz FCGDHLXCDVHPLM-UHFFFAOYSA-N -1 3 379.416 3.730 20 0 GHADHM COC(=O)c1csc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1C ZINC001153122294 1031471280 /nfs/dbraw/zinc/47/12/80/1031471280.db2.gz WTCARNWXJAJYEY-UHFFFAOYSA-N -1 3 376.821 3.590 20 0 GHADHM O=S(=O)([N-]CCc1cccc(Br)c1)c1ccc(Cl)s1 ZINC000313833773 1031631069 /nfs/dbraw/zinc/63/10/69/1031631069.db2.gz AEQKLJCQJPXOOP-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM Cc1nc2c(cccc2NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)o1 ZINC001153876464 1031787231 /nfs/dbraw/zinc/78/72/31/1031787231.db2.gz DQNHZABDQDIMAI-UHFFFAOYSA-N -1 3 398.216 3.993 20 0 GHADHM O=C(NCCC1=CCCCC1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153880539 1031790643 /nfs/dbraw/zinc/79/06/43/1031790643.db2.gz HGANUINRIJTJNH-UHFFFAOYSA-N -1 3 375.266 3.911 20 0 GHADHM Cc1cccc(C)c1CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153880465 1031790815 /nfs/dbraw/zinc/79/08/15/1031790815.db2.gz FLPWQVOTMIDKMM-UHFFFAOYSA-N -1 3 385.261 3.837 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)CS2 ZINC001226117069 1031796150 /nfs/dbraw/zinc/79/61/50/1031796150.db2.gz JKHCPPMUQDPRLM-GFCCVEGCSA-N -1 3 395.550 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3[n-]c(=S)ncc3C3CC3)C[C@@H]2C1 ZINC001226117290 1031796206 /nfs/dbraw/zinc/79/62/06/1031796206.db2.gz KKYOUJQNFMAVAU-BTTYYORXSA-N -1 3 377.510 3.667 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1[n-]c(=S)ncc1C1CC1)C2 ZINC001226118700 1031797449 /nfs/dbraw/zinc/79/74/49/1031797449.db2.gz HUVDSYAIHZVHJF-CYBMUJFWSA-N -1 3 377.510 3.811 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(OC(F)F)cc3C)[n-]nc21 ZINC001154146352 1031950769 /nfs/dbraw/zinc/95/07/69/1031950769.db2.gz BVPJSHPSAWEVCC-UHFFFAOYSA-N -1 3 375.331 3.512 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(OC(F)F)cc3C)n[n-]c21 ZINC001154146352 1031950772 /nfs/dbraw/zinc/95/07/72/1031950772.db2.gz BVPJSHPSAWEVCC-UHFFFAOYSA-N -1 3 375.331 3.512 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001226478064 1031973013 /nfs/dbraw/zinc/97/30/13/1031973013.db2.gz CNGZHYAGNJWADB-ZDUSSCGKSA-N -1 3 379.453 3.715 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001154208798 1031984614 /nfs/dbraw/zinc/98/46/14/1031984614.db2.gz PPABGEJDEBNECY-AWEZNQCLSA-N -1 3 389.377 3.748 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC001154267989 1032012699 /nfs/dbraw/zinc/01/26/99/1032012699.db2.gz IYYNVHWSTCBHEC-UHFFFAOYSA-N -1 3 399.406 3.546 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)[C@H](F)C1 ZINC001226593686 1032028745 /nfs/dbraw/zinc/02/87/45/1032028745.db2.gz FMNGJLVDZJPNAY-UKRRQHHQSA-N -1 3 393.411 3.615 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3c([O-])ccc4ccc(=O)oc43)[C@@H]2C1 ZINC001226598077 1032033619 /nfs/dbraw/zinc/03/36/19/1032033619.db2.gz ADRLRRABJKWGFG-LZWOXQAQSA-N -1 3 387.432 3.523 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226600003 1032035256 /nfs/dbraw/zinc/03/52/56/1032035256.db2.gz RZQVQYJVXAGPFZ-GOSISDBHSA-N -1 3 390.338 3.817 20 0 GHADHM COc1cccc2nc(=O)[n-]c(O[C@H](C)c3cccc(Br)n3)c21 ZINC001229239262 1033360815 /nfs/dbraw/zinc/36/08/15/1033360815.db2.gz LZSOEKBZGLMGSL-SECBINFHSA-N -1 3 376.210 3.642 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1cccc(Br)c1 ZINC001229337871 1033422956 /nfs/dbraw/zinc/42/29/56/1033422956.db2.gz NBTILZAHWXZBIS-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1cccc(Br)c1 ZINC001229337871 1033422967 /nfs/dbraw/zinc/42/29/67/1033422967.db2.gz NBTILZAHWXZBIS-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001229342436 1033426232 /nfs/dbraw/zinc/42/62/32/1033426232.db2.gz RGARGFBSXYASSG-JTQLQIEISA-N -1 3 380.326 3.914 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001229342436 1033426238 /nfs/dbraw/zinc/42/62/38/1033426238.db2.gz RGARGFBSXYASSG-JTQLQIEISA-N -1 3 380.326 3.914 20 0 GHADHM C[C@@H](NC(=O)C1=C(c2ccccc2)CCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001157222210 1033478577 /nfs/dbraw/zinc/47/85/77/1033478577.db2.gz MASUVMLVBYQIFB-JKSUJKDBSA-N -1 3 393.487 3.894 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)c1nc(C(F)(F)F)n[n-]1 ZINC001157232340 1033483990 /nfs/dbraw/zinc/48/39/90/1033483990.db2.gz CFGOAFHCXMLPCX-MNOVXSKESA-N -1 3 378.354 3.621 20 0 GHADHM COc1cccc([C@@H](C)CCCC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157232740 1033484063 /nfs/dbraw/zinc/48/40/63/1033484063.db2.gz FISYMSMMFKGWHS-NWDGAFQWSA-N -1 3 384.402 3.983 20 0 GHADHM CC[NH+]1CCC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)CC1 ZINC001229771740 1033702118 /nfs/dbraw/zinc/70/21/18/1033702118.db2.gz PCAQZQCTELSEJL-UHFFFAOYSA-N -1 3 381.428 3.734 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC001206675288 1033939952 /nfs/dbraw/zinc/93/99/52/1033939952.db2.gz OHKVTYSZSGJRGV-IBGZPJMESA-N -1 3 376.420 3.591 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC001206675288 1033939955 /nfs/dbraw/zinc/93/99/55/1033939955.db2.gz OHKVTYSZSGJRGV-IBGZPJMESA-N -1 3 376.420 3.591 20 0 GHADHM Cn1cc(-c2nsc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])n2)cn1 ZINC001158232153 1033974659 /nfs/dbraw/zinc/97/46/59/1033974659.db2.gz QYCAHEIFBQWANW-UHFFFAOYSA-N -1 3 393.428 3.689 20 0 GHADHM CC1(C)COc2c1cccc2C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158346669 1034038976 /nfs/dbraw/zinc/03/89/76/1034038976.db2.gz ZVOMIKBODARBJS-UHFFFAOYSA-N -1 3 391.427 3.689 20 0 GHADHM CC1(C)COc2c1cccc2C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158346669 1034038988 /nfs/dbraw/zinc/03/89/88/1034038988.db2.gz ZVOMIKBODARBJS-UHFFFAOYSA-N -1 3 391.427 3.689 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](c1cccnc1)C(F)(F)F ZINC001231090364 1034391207 /nfs/dbraw/zinc/39/12/07/1034391207.db2.gz GXGQUJCXTMFHDH-LBPRGKRZSA-N -1 3 376.718 3.695 20 0 GHADHM CCOC(=O)C[C@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)c1ccccc1 ZINC001231090822 1034391380 /nfs/dbraw/zinc/39/13/80/1034391380.db2.gz MXAKVWAWHFHUHR-ZDUSSCGKSA-N -1 3 393.823 3.691 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OCc1cc(OC)ccc1OC(C)C ZINC001231089924 1034391489 /nfs/dbraw/zinc/39/14/89/1034391489.db2.gz AXDFNCJWNFAZRX-UHFFFAOYSA-N -1 3 395.839 3.992 20 0 GHADHM CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC001159207488 1034484466 /nfs/dbraw/zinc/48/44/66/1034484466.db2.gz FLCLFYUPLCQOJI-FQEVSTJZSA-N -1 3 381.520 3.593 20 0 GHADHM O=C1Nc2ccccc2CN1C1CN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231527205 1034680906 /nfs/dbraw/zinc/68/09/06/1034680906.db2.gz HWVMGIARQMFBIA-UHFFFAOYSA-N -1 3 377.366 3.643 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)CCc2cccc(Br)c2)cc1[O-] ZINC001159830739 1034756016 /nfs/dbraw/zinc/75/60/16/1034756016.db2.gz LOLTVDIIQMTSJA-UHFFFAOYSA-N -1 3 376.250 3.672 20 0 GHADHM C[C@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001208534462 1034927142 /nfs/dbraw/zinc/92/71/42/1034927142.db2.gz OZIUVFZQOKRLQC-SNVBAGLBSA-N -1 3 395.349 3.729 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1c(C)nn(-c3ccccc3)c1C)c2=O ZINC001160431803 1034973376 /nfs/dbraw/zinc/97/33/76/1034973376.db2.gz GYDUVWIMEPVXDN-UHFFFAOYSA-N -1 3 388.427 3.592 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(F)cc1 ZINC001208855130 1035060795 /nfs/dbraw/zinc/06/07/95/1035060795.db2.gz LENGMJGIWROJDA-JTQLQIEISA-N -1 3 395.349 3.945 20 0 GHADHM Cc1cccc(C(=O)C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)c1 ZINC001160991267 1035113677 /nfs/dbraw/zinc/11/36/77/1035113677.db2.gz JSWVXMDUWXRGEE-UHFFFAOYSA-N -1 3 375.178 3.827 20 0 GHADHM CCC1(c2ccccc2)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001161303802 1035205564 /nfs/dbraw/zinc/20/55/64/1035205564.db2.gz KWNXLROFVKPXGI-UHFFFAOYSA-N -1 3 392.908 3.515 20 0 GHADHM CC[C@H](C)N1CC[C@@]2(CCN(Cc3c(Br)ccc([O-])c3F)C2)C1=O ZINC001276624714 1035209599 /nfs/dbraw/zinc/20/95/99/1035209599.db2.gz UWDVDOUHAPEYIJ-KPZWWZAWSA-N -1 3 399.304 3.517 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(-c4ccccc4)nc3C)c2c1=O ZINC001161521418 1035248841 /nfs/dbraw/zinc/24/88/41/1035248841.db2.gz NSTPWYMLLUGELE-UHFFFAOYSA-N -1 3 387.443 3.676 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)c([O-])c1 ZINC001161706277 1035287926 /nfs/dbraw/zinc/28/79/26/1035287926.db2.gz UEUOSMSQEANGOM-YSIASYRMSA-N -1 3 394.515 3.909 20 0 GHADHM O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ccc([O-])c(F)c2)CC1 ZINC001461961634 1069916877 /nfs/dbraw/zinc/91/68/77/1069916877.db2.gz UXWWVXWJNQZSMO-UHFFFAOYSA-N -1 3 377.847 3.925 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C)C2CC2)c(F)c1 ZINC001209593551 1035322052 /nfs/dbraw/zinc/32/20/52/1035322052.db2.gz FPTQBTLFZMTHAN-IBGZPJMESA-N -1 3 391.464 3.740 20 0 GHADHM O=S(=O)(c1ccccc1)n1ccc2cc(-c3c(F)ccc([O-])c3F)cnc21 ZINC001241292406 1035550497 /nfs/dbraw/zinc/55/04/97/1035550497.db2.gz CSKAECXTMOBOKX-UHFFFAOYSA-N -1 3 386.379 3.924 20 0 GHADHM CCOC(=O)c1csc(-c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC001241443623 1035581931 /nfs/dbraw/zinc/58/19/31/1035581931.db2.gz ILMKBSHCYXBRMK-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM CCOC(=O)c1csc(-c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC001241443623 1035581942 /nfs/dbraw/zinc/58/19/42/1035581942.db2.gz ILMKBSHCYXBRMK-UHFFFAOYSA-N -1 3 377.429 3.834 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)n1 ZINC001462059623 1069972640 /nfs/dbraw/zinc/97/26/40/1069972640.db2.gz JXMMXKNGVIOEOG-UHFFFAOYSA-N -1 3 389.868 3.782 20 0 GHADHM [O-]c1cccc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1F ZINC001243543039 1036203588 /nfs/dbraw/zinc/20/35/88/1036203588.db2.gz CCSBDZBJGZHPCS-UHFFFAOYSA-N -1 3 399.491 3.914 20 0 GHADHM COCCc1noc(-c2ccc(-c3cc(OC(F)(F)F)ccc3[O-])nc2)n1 ZINC001244456811 1036509684 /nfs/dbraw/zinc/50/96/84/1036509684.db2.gz FXUJAKSPWBIBDI-UHFFFAOYSA-N -1 3 381.310 3.592 20 0 GHADHM [O-]c1ccc(OC(F)(F)F)cc1-c1nc2ccccc2nc1N1CCOCC1 ZINC001244455473 1036509741 /nfs/dbraw/zinc/50/97/41/1036509741.db2.gz IATSKTNBKLBAGK-UHFFFAOYSA-N -1 3 391.349 3.738 20 0 GHADHM O=c1cnc(-c2ccc(OC(F)(F)F)cc2[O-])cn1Cc1cccc(F)c1 ZINC001244468349 1036515485 /nfs/dbraw/zinc/51/54/85/1036515485.db2.gz UUWZBJOSTMYYLM-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM CC[C@@H]1C(=O)N(C)c2cnc(-c3cc(C)c(F)c([O-])c3)nc2N1C1CCCC1 ZINC001244507690 1036524508 /nfs/dbraw/zinc/52/45/08/1036524508.db2.gz WIZJPBACNLKSPI-OAHLLOKOSA-N -1 3 384.455 3.801 20 0 GHADHM O=C(c1c([O-])cccc1Cl)N1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001278413135 1036968313 /nfs/dbraw/zinc/96/83/13/1036968313.db2.gz UXCFWSCWDZURGT-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM C[C@H]1CC[C@@](C)(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)C1(C)C ZINC001462221838 1070096852 /nfs/dbraw/zinc/09/68/52/1070096852.db2.gz XWDSYDIMAZGLBZ-GTNSWQLSSA-N -1 3 387.571 3.621 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2cc(F)ccc2Br)no1 ZINC001247261710 1038040646 /nfs/dbraw/zinc/04/06/46/1038040646.db2.gz JQAOPUFCXAYEKO-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM CC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H](N)CCc4nn[n-]n4)n3)cc2)CC1 ZINC001247285321 1038068781 /nfs/dbraw/zinc/06/87/81/1038068781.db2.gz VWTHGMCQHZKTIS-ZQIUZPCESA-N -1 3 381.484 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc([O-])c3Cl)CCO[C@@H]2C1 ZINC001232786223 1038551701 /nfs/dbraw/zinc/55/17/01/1038551701.db2.gz SKJKRXDNYPAZLD-RHSMWYFYSA-N -1 3 396.915 3.503 20 0 GHADHM CC[C@H]1N(Cc2cc(Cl)ncc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233033266 1038787904 /nfs/dbraw/zinc/78/79/04/1038787904.db2.gz BYUQHKAVWBLRKE-XLIONFOSSA-N -1 3 377.916 3.586 20 0 GHADHM [O-]c1cccc(CN2CCc3c(COCc4ccccn4)cncc3C2)c1F ZINC001233051301 1038808452 /nfs/dbraw/zinc/80/84/52/1038808452.db2.gz PQYKNQSCWAPVOV-UHFFFAOYSA-N -1 3 379.435 3.596 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001252038416 1038825347 /nfs/dbraw/zinc/82/53/47/1038825347.db2.gz PFKPSBHCAHSMHM-UHFFFAOYSA-N -1 3 376.522 3.604 20 0 GHADHM O=C(c1ccc2cc(Br)ccc2c1)N1CCCc2c(=O)[n-]cnc21 ZINC001462320857 1070168628 /nfs/dbraw/zinc/16/86/28/1070168628.db2.gz UVOTYDITDOOTNC-UHFFFAOYSA-N -1 3 384.233 3.691 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001278674413 1039050997 /nfs/dbraw/zinc/05/09/97/1039050997.db2.gz IEZRZZFFWJPNJN-SMDDNHRTSA-N -1 3 376.806 3.534 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC001252622856 1039052539 /nfs/dbraw/zinc/05/25/39/1039052539.db2.gz OJQLKQXKCFWKNR-UHFFFAOYSA-N -1 3 382.464 3.581 20 0 GHADHM COc1ccc(CN2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398106 1039233754 /nfs/dbraw/zinc/23/37/54/1039233754.db2.gz YTGTWTRKJZMTLA-AWEZNQCLSA-N -1 3 384.904 3.933 20 0 GHADHM COc1ccc(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)c(Cl)c1[O-] ZINC001233398478 1039235086 /nfs/dbraw/zinc/23/50/86/1039235086.db2.gz MYDUOXSVZYHHDT-UHFFFAOYSA-N -1 3 382.888 3.640 20 0 GHADHM COc1ccc(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(Cl)c1[O-] ZINC001233398476 1039235385 /nfs/dbraw/zinc/23/53/85/1039235385.db2.gz MWIUCAOVDNHPSR-UHFFFAOYSA-N -1 3 382.888 3.543 20 0 GHADHM COc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1[O-] ZINC001233401323 1039244209 /nfs/dbraw/zinc/24/42/09/1039244209.db2.gz VOQKVLBNFBJRES-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM CC(C)Oc1ncc(Br)cc1COc1ccc2occ([O-])c2c1 ZINC001233680969 1039532549 /nfs/dbraw/zinc/53/25/49/1039532549.db2.gz PPFDNRGALKMQGS-UHFFFAOYSA-N -1 3 378.222 3.785 20 0 GHADHM CN1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc31)C2 ZINC001233813371 1039636574 /nfs/dbraw/zinc/63/65/74/1039636574.db2.gz IFPBWWYWLQPICT-QLPKVWCKSA-N -1 3 393.439 3.875 20 0 GHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001253863982 1039869088 /nfs/dbraw/zinc/86/90/88/1039869088.db2.gz GJIVALZOTZLGMJ-UHFFFAOYSA-N -1 3 387.910 3.715 20 0 GHADHM CCCc1nnc(C2([N-]S(=O)(=O)c3cc(C)ccc3C)CCCCC2)o1 ZINC001253982313 1039934118 /nfs/dbraw/zinc/93/41/18/1039934118.db2.gz GQWKEGCWXVJFFK-UHFFFAOYSA-N -1 3 377.510 3.777 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)c(C)cc1Br ZINC001254044786 1039972516 /nfs/dbraw/zinc/97/25/16/1039972516.db2.gz HQXPIKJBBQQBNC-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1CCCn2cc(C)nc21 ZINC001234609220 1040167433 /nfs/dbraw/zinc/16/74/33/1040167433.db2.gz PRXISIKSLPIRHW-ZDUSSCGKSA-N -1 3 395.253 3.750 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3nc[n-]c(=O)c3-c3ccccc3)[C@H]2C1 ZINC001234690221 1040222891 /nfs/dbraw/zinc/22/28/91/1040222891.db2.gz ARAPMDDYZSGETR-YESZJQIVSA-N -1 3 397.475 3.874 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2C[C@H](N(C)C(=O)OC(C)(C)C)C2)c1C(C)=O ZINC001234789123 1040319709 /nfs/dbraw/zinc/31/97/09/1040319709.db2.gz FWTUJOGRJQOHMM-HDJSIYSDSA-N -1 3 379.453 3.689 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)c1 ZINC001254772268 1040532462 /nfs/dbraw/zinc/53/24/62/1040532462.db2.gz QHDJWMURDYECQM-UHFFFAOYSA-N -1 3 380.897 3.594 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001254963173 1040692728 /nfs/dbraw/zinc/69/27/28/1040692728.db2.gz PVTSBIUQOXCNTK-UHFFFAOYSA-N -1 3 386.429 3.680 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1COc2ccc(F)cc2C1 ZINC001255747214 1041268102 /nfs/dbraw/zinc/26/81/02/1041268102.db2.gz PNYQIPYMWSJFHM-CYBMUJFWSA-N -1 3 378.363 3.547 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC(O)CC3)cc2)c(C)cc1Cl ZINC001256195893 1041642096 /nfs/dbraw/zinc/64/20/96/1041642096.db2.gz SSFBPQBDTLONNJ-UHFFFAOYSA-N -1 3 394.924 3.719 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001236279064 1041656210 /nfs/dbraw/zinc/65/62/10/1041656210.db2.gz WAXBYQATFMVXDP-UHFFFAOYSA-N -1 3 391.440 3.528 20 0 GHADHM COCC[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683693 1041829139 /nfs/dbraw/zinc/82/91/39/1041829139.db2.gz GYBYQTIKSNHXKF-QAPCUYQASA-N -1 3 384.314 3.562 20 0 GHADHM C[C@H]1CCN(Cc2ccc(Br)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC001236683706 1041829397 /nfs/dbraw/zinc/82/93/97/1041829397.db2.gz KMWKSZXJSSRVJC-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236684761 1041830717 /nfs/dbraw/zinc/83/07/17/1041830717.db2.gz WXPACILREIMGMT-UHFFFAOYSA-N -1 3 397.313 3.598 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)s1 ZINC001237156471 1042068608 /nfs/dbraw/zinc/06/86/08/1042068608.db2.gz WRXQUEBEAWBGID-ZDUSSCGKSA-N -1 3 391.846 3.751 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CNC2)c1ccc(C(F)(F)F)cc1Cl ZINC001237603424 1042278020 /nfs/dbraw/zinc/27/80/20/1042278020.db2.gz RIEHCTJSOQZGND-UHFFFAOYSA-N -1 3 376.787 3.763 20 0 GHADHM CCOc1cc(CN(C)CC(=O)NCCC2=CCCCC2)cc(Cl)c1[O-] ZINC001462608524 1070411441 /nfs/dbraw/zinc/41/14/41/1070411441.db2.gz YYWPIISBIVBKNQ-UHFFFAOYSA-N -1 3 380.916 3.883 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2N)c(C)c1C ZINC001237754878 1042354855 /nfs/dbraw/zinc/35/48/55/1042354855.db2.gz OQRBVUFUGQWZOE-UHFFFAOYSA-N -1 3 399.310 3.766 20 0 GHADHM Cc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001237910565 1042419137 /nfs/dbraw/zinc/41/91/37/1042419137.db2.gz FATHUUKKLIRZGO-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc1F ZINC001237913131 1042420159 /nfs/dbraw/zinc/42/01/59/1042420159.db2.gz YVVYKRPPDUCWEV-UHFFFAOYSA-N -1 3 384.738 3.761 20 0 GHADHM Cn1ccc(CN2CCCC23CCN(Cc2cc(Cl)c([O-])cc2F)CC3)n1 ZINC001238147767 1042503910 /nfs/dbraw/zinc/50/39/10/1042503910.db2.gz LRDMDJKFTMMMGM-UHFFFAOYSA-N -1 3 392.906 3.549 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001238147415 1042504189 /nfs/dbraw/zinc/50/41/89/1042504189.db2.gz MUYIPLJDRGMPJD-IBGZPJMESA-N -1 3 379.460 3.705 20 0 GHADHM CC(C)N1CC2(CC1=O)CCN(Cc1c(Br)ccc([O-])c1F)CC2 ZINC001238312371 1042552912 /nfs/dbraw/zinc/55/29/12/1042552912.db2.gz SFMZQHJYNZGZCN-UHFFFAOYSA-N -1 3 399.304 3.517 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(C)c1OC(C)C ZINC001238756967 1042715581 /nfs/dbraw/zinc/71/55/81/1042715581.db2.gz XAGPGEJPTYSODX-UHFFFAOYSA-N -1 3 382.504 3.754 20 0 GHADHM O=S(=O)([N-][C@H]1CCCNc2ccccc21)c1ccc(Br)cc1F ZINC001238799530 1042733974 /nfs/dbraw/zinc/73/39/74/1042733974.db2.gz IMJPFHVCDFWVFB-HNNXBMFYSA-N -1 3 399.285 3.814 20 0 GHADHM CC(C)N1CCN(Cc2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)c(F)c2)CC1 ZINC001239365536 1042813879 /nfs/dbraw/zinc/81/38/79/1042813879.db2.gz IDYMSEDFLOYFNG-UHFFFAOYSA-N -1 3 392.421 3.995 20 0 GHADHM CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2[O-])nn1 ZINC001241009027 1042969625 /nfs/dbraw/zinc/96/96/25/1042969625.db2.gz PMQVMMDBEHUDBL-UHFFFAOYSA-N -1 3 386.448 3.616 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC001256562698 1043536865 /nfs/dbraw/zinc/53/68/65/1043536865.db2.gz HSILBHZPRFTGRB-QWRGUYRKSA-N -1 3 392.727 3.998 20 0 GHADHM O=S(=O)([N-]Cc1ncccc1C(F)(F)F)c1ccccc1C(F)(F)F ZINC001256654538 1043598865 /nfs/dbraw/zinc/59/88/65/1043598865.db2.gz CZOOUZNQGZBTNS-UHFFFAOYSA-N -1 3 384.301 3.598 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C)c2)c1Br ZINC001256954376 1043771226 /nfs/dbraw/zinc/77/12/26/1043771226.db2.gz RLIONCIEJFMITK-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC001462769723 1070534319 /nfs/dbraw/zinc/53/43/19/1070534319.db2.gz WKJKQLQEPGDUMZ-UHFFFAOYSA-N -1 3 393.814 3.888 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c(Cl)c1 ZINC001293352306 1044129940 /nfs/dbraw/zinc/12/99/40/1044129940.db2.gz XKLATOOMFRKOKH-GOSISDBHSA-N -1 3 382.913 3.674 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cc2ccccc2o1)c1c(Cl)cccc1Cl ZINC001257794765 1044178121 /nfs/dbraw/zinc/17/81/21/1044178121.db2.gz DOEGUZDYFUBBRN-CYBMUJFWSA-N -1 3 386.256 3.752 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3c(C)occ3C(F)(F)F)n[nH]2)cc1OC ZINC001293874328 1044354978 /nfs/dbraw/zinc/35/49/78/1044354978.db2.gz KZPYHEOGBZFHOH-UHFFFAOYSA-N -1 3 396.325 3.661 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC001294366461 1044591366 /nfs/dbraw/zinc/59/13/66/1044591366.db2.gz NGIBCEZGIVLWTO-UHFFFAOYSA-N -1 3 391.855 3.915 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)o1 ZINC001462857279 1070601938 /nfs/dbraw/zinc/60/19/38/1070601938.db2.gz DEPVLWYBUAFSQL-SCZZXKLOSA-N -1 3 394.802 3.949 20 0 GHADHM O=S(=O)([N-]c1ccc(F)nc1Br)c1ccc(F)cc1Cl ZINC001258911090 1044866178 /nfs/dbraw/zinc/86/61/78/1044866178.db2.gz BBECQSOFZIDQAO-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM COCCC1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCC(F)(F)CC1 ZINC001258919901 1044875257 /nfs/dbraw/zinc/87/52/57/1044875257.db2.gz LXDWJICLOXVUNA-UHFFFAOYSA-N -1 3 385.835 3.742 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)nc(Cl)nc1Cl ZINC001258931812 1044889017 /nfs/dbraw/zinc/88/90/17/1044889017.db2.gz PHGBVWZWWMLRMC-UHFFFAOYSA-N -1 3 382.656 3.555 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3cnccc3c2Cl)c(OC)c1 ZINC001258960329 1044907803 /nfs/dbraw/zinc/90/78/03/1044907803.db2.gz OCVWTKDJKPHZFU-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1F)C(=O)C2 ZINC001258985806 1044918395 /nfs/dbraw/zinc/91/83/95/1044918395.db2.gz HNBADAPYMWVZBG-QLJPJBMISA-N -1 3 393.402 3.982 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc3ocnc3cc1Cl)C(=O)C2 ZINC001258986930 1044919777 /nfs/dbraw/zinc/91/97/77/1044919777.db2.gz LAPGDUTVCBMMQU-BMLIUANNSA-N -1 3 382.869 3.618 20 0 GHADHM Cc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)ccc1Br ZINC001259071331 1044947104 /nfs/dbraw/zinc/94/71/04/1044947104.db2.gz PTGFJKXNYSQTOO-UHFFFAOYSA-N -1 3 376.222 3.514 20 0 GHADHM O=S(=O)([N-][C@H](c1ncccc1C(F)(F)F)C1CC1)c1ccc(F)c(F)c1 ZINC001259095004 1044958848 /nfs/dbraw/zinc/95/88/48/1044958848.db2.gz GVEXBZSVHDMOFI-AWEZNQCLSA-N -1 3 392.349 3.808 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)c1 ZINC001259188952 1044998225 /nfs/dbraw/zinc/99/82/25/1044998225.db2.gz CZJFPJFZMKCYGR-UHFFFAOYSA-N -1 3 383.294 3.673 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cnc2c(C3CCC3)cnn2c1 ZINC001259236275 1045033467 /nfs/dbraw/zinc/03/34/67/1045033467.db2.gz NIUBSTXIKYQFFH-UHFFFAOYSA-N -1 3 376.869 3.592 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc([O-])c1Br ZINC001259242114 1045037348 /nfs/dbraw/zinc/03/73/48/1045037348.db2.gz ILKDDUKBUNKSOD-UHFFFAOYSA-N -1 3 376.659 3.750 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)c(F)c1F)c1cc(F)cc(F)c1 ZINC001259311894 1045070682 /nfs/dbraw/zinc/07/06/82/1045070682.db2.gz VDJMCOUXIYHPLA-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC001259395941 1045120691 /nfs/dbraw/zinc/12/06/91/1045120691.db2.gz JPAKXECTMFASMO-UHFFFAOYSA-N -1 3 384.486 3.650 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2coc3c2ccc(OC)c3C)c([O-])c1 ZINC001295836802 1045161559 /nfs/dbraw/zinc/16/15/59/1045161559.db2.gz LLRVXWZVTJCKOY-UHFFFAOYSA-N -1 3 383.400 3.813 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2F)cc1F ZINC001259480916 1045192220 /nfs/dbraw/zinc/19/22/20/1045192220.db2.gz UKIMXMHCEFJLNU-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC1CCN(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC001259705322 1045270657 /nfs/dbraw/zinc/27/06/57/1045270657.db2.gz VXADKFLBKJUXPR-UHFFFAOYSA-N -1 3 391.468 3.890 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC001296167052 1045272897 /nfs/dbraw/zinc/27/28/97/1045272897.db2.gz KHXYKWSACZZVOQ-MRXNPFEDSA-N -1 3 396.874 3.655 20 0 GHADHM CC(C)(C)OC(=O)n1ncc2c1cccc2[N-]S(=O)(=O)C1CCCCC1 ZINC001259814461 1045311875 /nfs/dbraw/zinc/31/18/75/1045311875.db2.gz ABOXVVVCFAUCDB-UHFFFAOYSA-N -1 3 379.482 3.894 20 0 GHADHM CCCCC1CCC(C[N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 ZINC001462901331 1070641562 /nfs/dbraw/zinc/64/15/62/1070641562.db2.gz KXWARDYMBIXCIJ-UHFFFAOYSA-N -1 3 385.501 3.887 20 0 GHADHM CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2Br)cn1 ZINC001259838576 1045315813 /nfs/dbraw/zinc/31/58/13/1045315813.db2.gz VOCIPOORQZQKSB-UHFFFAOYSA-N -1 3 386.315 3.764 20 0 GHADHM O=S(=O)([N-]c1cnnc(Cl)c1Cl)c1ccc(Oc2ccccn2)cc1 ZINC001260140552 1045393957 /nfs/dbraw/zinc/39/39/57/1045393957.db2.gz AVLQWHDIPDZAGN-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM Cc1nc(NC(=O)c2cc(=O)[n-]cn2)sc1Cc1cccc(Cl)c1F ZINC001297148974 1045465536 /nfs/dbraw/zinc/46/55/36/1045465536.db2.gz MTJGAVAKQRBOAL-UHFFFAOYSA-N -1 3 378.816 3.583 20 0 GHADHM O=S(=O)([N-]c1cnc(C(F)(F)F)cc1Cl)c1cccc2nsnc21 ZINC001260383358 1045485582 /nfs/dbraw/zinc/48/55/82/1045485582.db2.gz OACGLKQDFADNSZ-UHFFFAOYSA-N -1 3 394.787 3.559 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC001462915252 1070657364 /nfs/dbraw/zinc/65/73/64/1070657364.db2.gz UEPYQPVUQHVWRT-QWRGUYRKSA-N -1 3 394.306 3.701 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cnnc(Cl)c1Cl ZINC001260458502 1045501802 /nfs/dbraw/zinc/50/18/02/1045501802.db2.gz ZHPFOZOKFQHAFP-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)CC2 ZINC001260462374 1045503297 /nfs/dbraw/zinc/50/32/97/1045503297.db2.gz LCSXPQUCJKGYCF-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cnc2ccccn21 ZINC001260472329 1045508535 /nfs/dbraw/zinc/50/85/35/1045508535.db2.gz XUYNFTGOGSJAEI-MRVPVSSYSA-N -1 3 376.290 3.742 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C(=O)OC)cc1 ZINC001260577497 1045564786 /nfs/dbraw/zinc/56/47/86/1045564786.db2.gz PTQWYPXYTSIFKP-UHFFFAOYSA-N -1 3 399.415 3.731 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)c1 ZINC001462926895 1070665928 /nfs/dbraw/zinc/66/59/28/1070665928.db2.gz NMKSFUVBWFVWQN-UHFFFAOYSA-N -1 3 375.387 3.982 20 0 GHADHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC001260760327 1045641224 /nfs/dbraw/zinc/64/12/24/1045641224.db2.gz CQSSOFAYEWFYBC-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)ccc1C(C)=O ZINC001260897224 1045753690 /nfs/dbraw/zinc/75/36/90/1045753690.db2.gz HLXBOHJBIMGKGE-UHFFFAOYSA-N -1 3 387.379 3.859 20 0 GHADHM O=S(=O)([N-]CC1(CC2CC2)CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC001261013998 1045835546 /nfs/dbraw/zinc/83/55/46/1045835546.db2.gz MMRLWXGADNTSKS-UHFFFAOYSA-N -1 3 395.418 3.720 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(F)c1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC001261014278 1045838628 /nfs/dbraw/zinc/83/86/28/1045838628.db2.gz WHTSOFWNJPRPIX-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2C1 ZINC001261021031 1045848546 /nfs/dbraw/zinc/84/85/46/1045848546.db2.gz ZAYWZJATXAABHG-UHFFFAOYSA-N -1 3 388.386 3.633 20 0 GHADHM O=C(Nc1cscc1Br)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001298586323 1045881880 /nfs/dbraw/zinc/88/18/80/1045881880.db2.gz UFWOFTHQJRBITC-UHFFFAOYSA-N -1 3 385.189 3.883 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC)c1cccc(C)c1 ZINC001261062809 1045882781 /nfs/dbraw/zinc/88/27/81/1045882781.db2.gz UICBKWIIXQCMJL-GFCCVEGCSA-N -1 3 387.910 3.926 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1O ZINC001298749111 1045937874 /nfs/dbraw/zinc/93/78/74/1045937874.db2.gz OQKVJYDNTOFCEC-UHFFFAOYSA-N -1 3 378.384 3.532 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@@H]1SC ZINC001299867956 1046072817 /nfs/dbraw/zinc/07/28/17/1046072817.db2.gz JZYSSWJLTPZZTG-NRSPTQNISA-N -1 3 385.529 3.816 20 0 GHADHM O=S(=O)([N-]CCc1cccc(F)c1F)c1cccc(OC(F)(F)F)c1F ZINC001463080875 1070779365 /nfs/dbraw/zinc/77/93/65/1070779365.db2.gz RAJAQQQNEGBPOW-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC001463099610 1070793055 /nfs/dbraw/zinc/79/30/55/1070793055.db2.gz LJWJYFJWOLEKTM-OUJBWJOFSA-N -1 3 394.306 3.700 20 0 GHADHM O=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)c1cc(F)cc2n[n-]nc21 ZINC001301793350 1046708936 /nfs/dbraw/zinc/70/89/36/1046708936.db2.gz UOTHMJRDZVWFCG-UHFFFAOYSA-N -1 3 385.305 3.815 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)c(C)c1Cl ZINC001463121804 1070820095 /nfs/dbraw/zinc/82/00/95/1070820095.db2.gz AUKTYOJVPBMKQM-RKDXNWHRSA-N -1 3 379.931 3.600 20 0 GHADHM COC(=O)c1oc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1C ZINC001302164741 1046848958 /nfs/dbraw/zinc/84/89/58/1046848958.db2.gz LAAKZRBVXFEZAG-UHFFFAOYSA-N -1 3 393.439 3.795 20 0 GHADHM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001302436369 1046940088 /nfs/dbraw/zinc/94/00/88/1046940088.db2.gz IFXJCNSTXZNEJC-FQEVSTJZSA-N -1 3 388.423 3.741 20 0 GHADHM CC[C@H]1c2ccccc2CN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001263679449 1047040540 /nfs/dbraw/zinc/04/05/40/1047040540.db2.gz GLRASYHEKGUCAK-SFHVURJKSA-N -1 3 376.464 3.630 20 0 GHADHM CN(C)c1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1F ZINC001302746843 1047083474 /nfs/dbraw/zinc/08/34/74/1047083474.db2.gz VYQMFGTZCKWQEF-UHFFFAOYSA-N -1 3 381.407 3.829 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC001263822817 1047155552 /nfs/dbraw/zinc/15/55/52/1047155552.db2.gz VYQNMVMESRJAIM-SXLOBPIMSA-N -1 3 376.456 3.925 20 0 GHADHM COC(=O)c1ccc2c(c1)N(C(=O)c1cc([O-])cc(Br)c1)CCC2 ZINC001303186291 1047307596 /nfs/dbraw/zinc/30/75/96/1047307596.db2.gz AJYAPNWJOKAESN-UHFFFAOYSA-N -1 3 390.233 3.534 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001303519829 1047411075 /nfs/dbraw/zinc/41/10/75/1047411075.db2.gz DDXHAXNTIPDPDV-ZSOIEALJSA-N -1 3 397.784 3.975 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001463203094 1070908042 /nfs/dbraw/zinc/90/80/42/1070908042.db2.gz KOUABWULZAQRNX-HZPDHXFCSA-N -1 3 384.270 3.597 20 0 GHADHM O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001304061003 1047575609 /nfs/dbraw/zinc/57/56/09/1047575609.db2.gz MGOPXUWCNTUILD-RPWUZVMVSA-N -1 3 387.479 3.956 20 0 GHADHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2csnc2-c2ccccc2)c1 ZINC001265276585 1047586215 /nfs/dbraw/zinc/58/62/15/1047586215.db2.gz HVUNTNNDRJKHJV-UHFFFAOYSA-N -1 3 390.461 3.995 20 0 GHADHM C[C@@H](NC(=O)c1cccnc1Nc1ccccc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001304132385 1047595793 /nfs/dbraw/zinc/59/57/93/1047595793.db2.gz QXGFEZLUYLLHSU-SECBINFHSA-N -1 3 394.332 3.592 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304132524 1047596090 /nfs/dbraw/zinc/59/60/90/1047596090.db2.gz PJKNGJZKIOHRAB-LLVKDONJSA-N -1 3 392.385 3.624 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304133718 1047596125 /nfs/dbraw/zinc/59/61/25/1047596125.db2.gz ZSDPGLFVELINSO-SSDOTTSWSA-N -1 3 399.760 3.931 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccsc2C(F)(F)F)c([O-])c(OC)c1 ZINC001304505604 1047695780 /nfs/dbraw/zinc/69/57/80/1047695780.db2.gz QWQYZYNLOSNSPT-UHFFFAOYSA-N -1 3 375.324 3.520 20 0 GHADHM O=C(Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c([O-])c1 ZINC001279313584 1047764519 /nfs/dbraw/zinc/76/45/19/1047764519.db2.gz QGWUNOSXUBXKPF-ALOPSCKCSA-N -1 3 390.936 3.961 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001304819352 1047781824 /nfs/dbraw/zinc/78/18/24/1047781824.db2.gz HPDKXIPDHXBGQG-DWRORGKVSA-N -1 3 381.476 3.527 20 0 GHADHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001463268100 1070951515 /nfs/dbraw/zinc/95/15/15/1070951515.db2.gz ZVIOTDQDFYGRLB-NEPJUHHUSA-N -1 3 396.347 3.931 20 0 GHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1cnc(-c2ccccc2)s1 ZINC001463294605 1070969683 /nfs/dbraw/zinc/96/96/83/1070969683.db2.gz OIXIPCDPMNUPJP-UHFFFAOYSA-N -1 3 388.518 3.600 20 0 GHADHM O=C(C[C@@H]1CC=CCC1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280501505 1048230799 /nfs/dbraw/zinc/23/07/99/1048230799.db2.gz BQDSFCRRNGQQQD-GFCCVEGCSA-N -1 3 379.869 3.581 20 0 GHADHM O=C(C[C@@H]1CC=CCC1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280501505 1048230800 /nfs/dbraw/zinc/23/08/00/1048230800.db2.gz BQDSFCRRNGQQQD-GFCCVEGCSA-N -1 3 379.869 3.581 20 0 GHADHM O=C(C[C@H]1CC=CCC1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280501506 1048231010 /nfs/dbraw/zinc/23/10/10/1048231010.db2.gz BQDSFCRRNGQQQD-LBPRGKRZSA-N -1 3 379.869 3.581 20 0 GHADHM O=C(C[C@H]1CC=CCC1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280501506 1048231017 /nfs/dbraw/zinc/23/10/17/1048231017.db2.gz BQDSFCRRNGQQQD-LBPRGKRZSA-N -1 3 379.869 3.581 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001306584900 1048755272 /nfs/dbraw/zinc/75/52/72/1048755272.db2.gz AGAICKRLOLMWKB-HNNXBMFYSA-N -1 3 394.512 3.804 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3OCc3ccncc3)n[n-]2)o1 ZINC001306698693 1048827274 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3.874 20 0 GHADHM CNC(=O)c1ccc(CN(Cc2cccc([O-])c2Br)C2CC2)cc1 ZINC001308615549 1050032952 /nfs/dbraw/zinc/03/29/52/1050032952.db2.gz QQWIQGLWCRDRLC-UHFFFAOYSA-N -1 3 389.293 3.679 20 0 GHADHM O=C(CCNCc1ccc([O-])c(F)c1F)Nc1ccc(Br)cc1 ZINC001308681304 1050057697 /nfs/dbraw/zinc/05/76/97/1050057697.db2.gz ZGPFTFXFAYVOQS-UHFFFAOYSA-N -1 3 385.208 3.551 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC001327469822 1050189712 /nfs/dbraw/zinc/18/97/12/1050189712.db2.gz ZLSPNMFKEREHGD-VIFPVBQESA-N -1 3 392.403 3.504 20 0 GHADHM C[C@H](NCc1cnn(Cc2ccccc2)c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001308955131 1050214323 /nfs/dbraw/zinc/21/43/23/1050214323.db2.gz NFBCEIAKMGDNKS-JTQLQIEISA-N -1 3 384.793 3.573 20 0 GHADHM C[C@@H](NCc1c(F)ccc(Br)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001308955305 1050216356 /nfs/dbraw/zinc/21/63/56/1050216356.db2.gz SPKFZBQGJWLDIT-RXMQYKEDSA-N -1 3 385.134 3.715 20 0 GHADHM COCc1nocc1C(=O)[N-]c1sc2c(c1C(=O)c1ccccc1)CCC2 ZINC001328046912 1050373695 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/nfs/dbraw/zinc/73/50/42/1050735042.db2.gz IXYBRLIYTPMPRX-UHFFFAOYSA-N -1 3 397.932 3.547 20 0 GHADHM CCC1(CC)CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC001309458948 1050735054 /nfs/dbraw/zinc/73/50/54/1050735054.db2.gz IXYBRLIYTPMPRX-UHFFFAOYSA-N -1 3 397.932 3.547 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)(C(=O)OC)c1ccccc1 ZINC001309489173 1050759736 /nfs/dbraw/zinc/75/97/36/1050759736.db2.gz YIDDGCJHZUTMPW-NRFANRHFSA-N -1 3 389.517 3.677 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(C)C ZINC001309502550 1050768629 /nfs/dbraw/zinc/76/86/29/1050768629.db2.gz GVOJWFRKKXURSD-ONGXEEELSA-N -1 3 396.734 3.682 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2Cl)cc1F ZINC001309528857 1050785332 /nfs/dbraw/zinc/78/53/32/1050785332.db2.gz GBNGQTOXBWYGBR-QMMMGPOBSA-N -1 3 379.787 3.805 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CCC(C)(C)C2CC2)c(C)c1Cl ZINC001309540698 1050794747 /nfs/dbraw/zinc/79/47/47/1050794747.db2.gz ONUHPEDXXXHBIA-UHFFFAOYSA-N -1 3 379.931 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ZINC001475631340 1052352641 /nfs/dbraw/zinc/35/26/41/1052352641.db2.gz PIAIZBJKYGKXCG-UHFFFAOYSA-N -1 3 379.322 3.684 20 0 GHADHM C[C@@H]1CC(F)(F)CCN1c1nnc(-c2c[n-]oc2=O)n1CCc1ccccc1 ZINC001342378258 1053137491 /nfs/dbraw/zinc/13/74/91/1053137491.db2.gz CTUIDNFGRRETMM-CYBMUJFWSA-N -1 3 389.406 3.505 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](c4ccccc4)[C@H]3C)n2CC(C)C)cc(=O)[n-]1 ZINC001342936400 1053444643 /nfs/dbraw/zinc/44/46/43/1053444643.db2.gz LKLNFRIAJCJLSU-QAPCUYQASA-N -1 3 392.507 3.788 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001344092454 1054242983 /nfs/dbraw/zinc/24/29/83/1054242983.db2.gz KMOXKNUSSJHUAN-HKUYNNGSSA-N -1 3 390.491 3.566 20 0 GHADHM COc1cccc2cc(C[N-]C(=O)C(F)(F)Oc3ccc(C=O)cc3)oc21 ZINC001318383512 1054602731 /nfs/dbraw/zinc/60/27/31/1054602731.db2.gz TXNCBORJAZWPMK-UHFFFAOYSA-N -1 3 375.327 3.542 20 0 GHADHM O=C(NCc1ccc2c(c1)CCC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001318435547 1054637786 /nfs/dbraw/zinc/63/77/86/1054637786.db2.gz QHYRYVJNGJFSKI-UHFFFAOYSA-N -1 3 397.272 3.709 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)OCC/C=C/c1ccc(Br)cc1 ZINC001318609105 1054747761 /nfs/dbraw/zinc/74/77/61/1054747761.db2.gz ZRPTXFBJULGDEF-DUXPYHPUSA-N -1 3 391.265 3.832 20 0 GHADHM COc1cccc2cc(C[N-]S(=O)(=O)c3cc(C(C)=O)ccc3Cl)oc21 ZINC001319145218 1055059207 /nfs/dbraw/zinc/05/92/07/1055059207.db2.gz DGIURSSOGUWWHD-UHFFFAOYSA-N -1 3 393.848 3.776 20 0 GHADHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cn(C)nc3C)nc(=O)c2c1C ZINC001319489414 1055285783 /nfs/dbraw/zinc/28/57/83/1055285783.db2.gz GPEMXXKHOPMYIO-IZZDOVSWSA-N -1 3 392.868 3.661 20 0 GHADHM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001319852701 1055505208 /nfs/dbraw/zinc/50/52/08/1055505208.db2.gz ZDDPJRYNWXSAPQ-CQSZACIVSA-N -1 3 391.842 3.685 20 0 GHADHM CNC(=O)Cc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001319961234 1055565112 /nfs/dbraw/zinc/56/51/12/1055565112.db2.gz BQTVUTFACYBTDZ-UHFFFAOYSA-N -1 3 376.412 3.725 20 0 GHADHM CNC(=O)Cc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001320507579 1055848628 /nfs/dbraw/zinc/84/86/28/1055848628.db2.gz RPZUCGJVEBHMJN-UHFFFAOYSA-N -1 3 390.439 3.512 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)c1ccccc1 ZINC001320905809 1056008617 /nfs/dbraw/zinc/00/86/17/1056008617.db2.gz UFMTVAAUYMTARH-LJQANCHMSA-N -1 3 399.447 3.682 20 0 GHADHM O=S(=O)([N-]C1(C2CC2)CCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001321837302 1056413880 /nfs/dbraw/zinc/41/38/80/1056413880.db2.gz XXCMNEGPPYDTBY-UHFFFAOYSA-N -1 3 383.819 3.596 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1F ZINC001322326137 1056630000 /nfs/dbraw/zinc/63/00/00/1056630000.db2.gz NBXYNKMXULDFGO-UHFFFAOYSA-N -1 3 391.399 3.515 20 0 GHADHM CCOc1cc(C(=O)[N-]c2cc(Cl)cc(Br)c2OC)on1 ZINC001354439216 1056656172 /nfs/dbraw/zinc/65/61/72/1056656172.db2.gz PJAIJMGMRMCKBX-UHFFFAOYSA-N -1 3 375.606 3.750 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001322472629 1056720476 /nfs/dbraw/zinc/72/04/76/1056720476.db2.gz MTJURTOPXSZBTK-OAHLLOKOSA-N -1 3 384.517 3.810 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3coc(-c4cccnc4)n3)c2)n1 ZINC001354532818 1056750928 /nfs/dbraw/zinc/75/09/28/1056750928.db2.gz FBSDTDOZRZCAAQ-UHFFFAOYSA-N -1 3 387.399 3.714 20 0 GHADHM O=C([N-]CCSC(F)(F)F)C(F)(F)c1ccccc1Br ZINC001354633547 1056844467 /nfs/dbraw/zinc/84/44/67/1056844467.db2.gz DBEBUYLFXFMGPG-UHFFFAOYSA-N -1 3 378.160 3.910 20 0 GHADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(C)cc1 ZINC001354715039 1056908838 /nfs/dbraw/zinc/90/88/38/1056908838.db2.gz ZGCHZLIPVGYAHV-OAHLLOKOSA-N -1 3 383.341 3.786 20 0 GHADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1c[n-]c2ccccc2c1=O ZINC001355001201 1057012181 /nfs/dbraw/zinc/01/21/81/1057012181.db2.gz VPNQQCCPBIJKGF-UHFFFAOYSA-N -1 3 396.296 3.983 20 0 GHADHM [O-]c1cccc(CNCc2cccc(OCC(F)(F)F)n2)c1Br ZINC001325012036 1057263056 /nfs/dbraw/zinc/26/30/56/1057263056.db2.gz FPLWBUKGRVHPTM-UHFFFAOYSA-N -1 3 391.187 3.781 20 0 GHADHM CCC(C)(C)[C@@H](NCc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC001327073963 1057593170 /nfs/dbraw/zinc/59/31/70/1057593170.db2.gz QXQSQMBDEGKHOM-KRWDZBQOSA-N -1 3 378.494 3.710 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1Cl ZINC001327082021 1057594519 /nfs/dbraw/zinc/59/45/19/1057594519.db2.gz ZMTBZTCBGZERFZ-HLTSFMKQSA-N -1 3 386.247 3.714 20 0 GHADHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1Cl ZINC001327082022 1057594697 /nfs/dbraw/zinc/59/46/97/1057594697.db2.gz ZMTBZTCBGZERFZ-HRDYMLBCSA-N -1 3 386.247 3.714 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001337871042 1058304396 /nfs/dbraw/zinc/30/43/96/1058304396.db2.gz RPCRSCJWMUXLKE-KRWDZBQOSA-N -1 3 382.842 3.585 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2[O-])cc1 ZINC001440675385 1058577236 /nfs/dbraw/zinc/57/72/36/1058577236.db2.gz XMPPINFIPREAIW-UHFFFAOYSA-N -1 3 376.416 3.998 20 0 GHADHM CCN1C[C@@H](CN(C)C(=O)c2cc3sccc3c([O-])c2)Oc2ccccc21 ZINC001440709380 1058591066 /nfs/dbraw/zinc/59/10/66/1058591066.db2.gz JGJLZFHYLBFBEF-OAHLLOKOSA-N -1 3 382.485 3.966 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC3CCCC3)cc2)c([O-])c1 ZINC001441070931 1058699094 /nfs/dbraw/zinc/69/90/94/1058699094.db2.gz CAYOGUVMPLJUQA-UHFFFAOYSA-N -1 3 382.460 3.781 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)n2C)cc(=O)[n-]1 ZINC001338744768 1058760350 /nfs/dbraw/zinc/76/03/50/1058760350.db2.gz DQPOKNGOWWITGT-SFHVURJKSA-N -1 3 392.507 3.925 20 0 GHADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001338917291 1058877741 /nfs/dbraw/zinc/87/77/41/1058877741.db2.gz CFDJEAPIBJHBNV-UHFFFAOYSA-N -1 3 395.912 3.647 20 0 GHADHM COc1ccc(Nc2ccc(C(=O)Nc3n[n-]c(SC)n3)cc2)c(OC)c1 ZINC001442616631 1058985227 /nfs/dbraw/zinc/98/52/27/1058985227.db2.gz OJAHSEOEIMZGSI-UHFFFAOYSA-N -1 3 385.449 3.540 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCO2)c1c[n-]c2ccc(Br)cc2c1=O ZINC001442926795 1059030465 /nfs/dbraw/zinc/03/04/65/1059030465.db2.gz VSVNALVWWFRJSQ-UHFFFAOYSA-N -1 3 399.244 3.868 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001443298786 1059100593 /nfs/dbraw/zinc/10/05/93/1059100593.db2.gz CTDWVCZBNYUWCB-PZJWPPBQSA-N -1 3 394.515 3.738 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(-c2cccs2)nc2ccc(C)cc21 ZINC001443447002 1059132982 /nfs/dbraw/zinc/13/29/82/1059132982.db2.gz MRNLLVNZXYFGKX-AWEZNQCLSA-N -1 3 392.484 3.514 20 0 GHADHM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001339596152 1059332450 /nfs/dbraw/zinc/33/24/50/1059332450.db2.gz BUYSRBBXGGXQJD-UHFFFAOYSA-N -1 3 396.417 3.507 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc3sccc3c([O-])c2)c(OC)c(OC)c1 ZINC001445039785 1059444509 /nfs/dbraw/zinc/44/45/09/1059444509.db2.gz YVYSIAOVMVCFCT-UHFFFAOYSA-N -1 3 387.413 3.663 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001445105305 1059463836 /nfs/dbraw/zinc/46/38/36/1059463836.db2.gz HCZLJNZMQJOIJW-UHFFFAOYSA-N -1 3 388.801 3.774 20 0 GHADHM CCCC1(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCC1 ZINC001446059932 1059687431 /nfs/dbraw/zinc/68/74/31/1059687431.db2.gz CWSJXNVSMSJIMT-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM C[C@@H](CO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1)NC(=O)OC(C)(C)C ZINC001446276982 1059743083 /nfs/dbraw/zinc/74/30/83/1059743083.db2.gz FDNFVDCBRGCNIZ-HNNXBMFYSA-N -1 3 392.496 3.637 20 0 GHADHM Cc1nnc(CCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)o1 ZINC001446457798 1059779314 /nfs/dbraw/zinc/77/93/14/1059779314.db2.gz KXOWLZVHDGLBGE-UHFFFAOYSA-N -1 3 380.429 3.932 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001446827232 1059874359 /nfs/dbraw/zinc/87/43/59/1059874359.db2.gz RCQBINJBBVMXSK-JEOXALJRSA-N -1 3 388.826 3.827 20 0 GHADHM O=C(Nc1ncccc1[O-])c1scc(Br)c1Br ZINC001447608609 1059986859 /nfs/dbraw/zinc/98/68/59/1059986859.db2.gz WWILCQPPDNOBTA-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001546000608 1060040780 /nfs/dbraw/zinc/04/07/80/1060040780.db2.gz VJQDKMLDNJSPBR-UHFFFAOYSA-N -1 3 379.743 3.591 20 0 GHADHM CCCc1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ccc1Cl ZINC001449198866 1060351230 /nfs/dbraw/zinc/35/12/30/1060351230.db2.gz UWZPPPWAXJDUNX-STQMWFEESA-N -1 3 389.883 3.786 20 0 GHADHM O=C(Nc1ccc(OCCCO)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001449203417 1060351300 /nfs/dbraw/zinc/35/13/00/1060351300.db2.gz HOXIPAHRKMPDEH-UHFFFAOYSA-N -1 3 393.439 3.985 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001450264814 1060566311 /nfs/dbraw/zinc/56/63/11/1060566311.db2.gz YACOSTCYBZIBCV-LBPRGKRZSA-N -1 3 379.243 3.686 20 0 GHADHM Cc1cccnc1Oc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001450925703 1060718201 /nfs/dbraw/zinc/71/82/01/1060718201.db2.gz NTMJJFRJKQKXIE-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM Cc1cccnc1Oc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001450925703 1060718213 /nfs/dbraw/zinc/71/82/13/1060718213.db2.gz NTMJJFRJKQKXIE-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM CC(C)(C)OC(=O)c1cncc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001452485335 1060945249 /nfs/dbraw/zinc/94/52/49/1060945249.db2.gz MUHMWPKXIQZIHD-UHFFFAOYSA-N -1 3 399.834 3.784 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCc2ccc(F)cc21 ZINC001452693053 1060988386 /nfs/dbraw/zinc/98/83/86/1060988386.db2.gz OMQFMPDAXCFBNG-LLVKDONJSA-N -1 3 386.373 3.747 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H]2C[C@@H](c3ccc(Br)cc3)C2)c(=O)[n-]1 ZINC001346226873 1061464470 /nfs/dbraw/zinc/46/44/70/1061464470.db2.gz LJTFUZSQVJOAIR-OTVXOJSOSA-N -1 3 391.265 3.593 20 0 GHADHM Cc1cccc(CO[N-]C(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001454237817 1061662305 /nfs/dbraw/zinc/66/23/05/1061662305.db2.gz BQHXUSDPJKWNHO-OAHLLOKOSA-N -1 3 391.512 3.611 20 0 GHADHM O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC001454632328 1061894630 /nfs/dbraw/zinc/89/46/30/1061894630.db2.gz IKDRVHHNZXOTFE-UHFFFAOYSA-N -1 3 392.333 3.594 20 0 GHADHM CCSc1ccc(CNC(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)cc1 ZINC001455226476 1062061739 /nfs/dbraw/zinc/06/17/39/1062061739.db2.gz MZANVMVARDEVPF-UHFFFAOYSA-N -1 3 398.484 3.587 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001455680181 1062258336 /nfs/dbraw/zinc/25/83/36/1062258336.db2.gz ZOACZCZUGGVRNC-QWHCGFSZSA-N -1 3 378.259 3.786 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001435197712 1062380418 /nfs/dbraw/zinc/38/04/18/1062380418.db2.gz ISADFVXMUBQINX-UHFFFAOYSA-N -1 3 393.777 3.807 20 0 GHADHM O=C(NC/C=C/C1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001347738340 1062611904 /nfs/dbraw/zinc/61/19/04/1062611904.db2.gz KDUIHQJSLNTDQM-OWOJBTEDSA-N -1 3 381.657 3.640 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001456327531 1062616196 /nfs/dbraw/zinc/61/61/96/1062616196.db2.gz BIMZDKHLVQLJDB-UHFFFAOYSA-N -1 3 384.461 3.583 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001456327531 1062616213 /nfs/dbraw/zinc/61/62/13/1062616213.db2.gz BIMZDKHLVQLJDB-UHFFFAOYSA-N -1 3 384.461 3.583 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(C)c1Br ZINC001456339848 1062625397 /nfs/dbraw/zinc/62/53/97/1062625397.db2.gz ZKBQRECHQYCNKY-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(C)c1Br ZINC001456339848 1062625413 /nfs/dbraw/zinc/62/54/13/1062625413.db2.gz ZKBQRECHQYCNKY-UHFFFAOYSA-N -1 3 380.242 3.607 20 0 GHADHM C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001456381210 1062649222 /nfs/dbraw/zinc/64/92/22/1062649222.db2.gz GRNUBYNIDKIERM-ZETCQYMHSA-N -1 3 385.346 3.577 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385669 1062652679 /nfs/dbraw/zinc/65/26/79/1062652679.db2.gz PRVCAYLDRXILOX-SKDRFNHKSA-N -1 3 390.793 3.758 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)COc3ccc4c(c3)CCC4)n[n-]2)cc1 ZINC001457164692 1062995059 /nfs/dbraw/zinc/99/50/59/1062995059.db2.gz WYUWQBIXQNGHMD-UHFFFAOYSA-N -1 3 394.500 3.912 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1csc(NC2CC2)n1 ZINC001457890773 1063423464 /nfs/dbraw/zinc/42/34/64/1063423464.db2.gz YJJJTKDKTXIQDQ-UHFFFAOYSA-N -1 3 378.870 3.537 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC001457968285 1063473063 /nfs/dbraw/zinc/47/30/63/1063473063.db2.gz LYFLJMTYESOSIF-FQEVSTJZSA-N -1 3 386.451 3.691 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cn1 ZINC001436882526 1063692375 /nfs/dbraw/zinc/69/23/75/1063692375.db2.gz XQTDWOOGSBGCFR-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC2(CC2)C1)C(F)(F)F ZINC001436917253 1063705397 /nfs/dbraw/zinc/70/53/97/1063705397.db2.gz ZZUQSAVIOCAWFF-GJZGRUSLSA-N -1 3 380.410 3.593 20 0 GHADHM CCCCc1nc(NC(=O)COc2ccc3c(c2)CCCC3)c(C(=O)OCC)[n-]1 ZINC001458955675 1063968326 /nfs/dbraw/zinc/96/83/26/1063968326.db2.gz QGBMKTAVMSGXNZ-UHFFFAOYSA-N -1 3 399.491 3.825 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC001351102267 1064266309 /nfs/dbraw/zinc/26/63/09/1064266309.db2.gz VYNJSMMJHVKANI-JTSKRJEESA-N -1 3 394.471 3.757 20 0 GHADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cc(F)c(C)cc3F)CCC2)cc1 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CTGJBSGGZRHFQS-HNNXBMFYSA-N -1 3 381.245 3.549 20 0 GHADHM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001463799575 1064628045 /nfs/dbraw/zinc/62/80/45/1064628045.db2.gz LQBUNQFFYYCRRU-NRFANRHFSA-N -1 3 382.504 3.627 20 0 GHADHM CCc1nnc(C[N-]S(=O)(=O)c2cccc(Sc3ccccc3)c2)s1 ZINC001463805405 1064632045 /nfs/dbraw/zinc/63/20/45/1064632045.db2.gz DWHSSKTZGSOIIX-UHFFFAOYSA-N -1 3 391.543 3.730 20 0 GHADHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC001463944112 1064732068 /nfs/dbraw/zinc/73/20/68/1064732068.db2.gz JONPVEHPMJEMOM-MRVPVSSYSA-N -1 3 393.303 3.647 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)sc1Cl ZINC001463961790 1064741654 /nfs/dbraw/zinc/74/16/54/1064741654.db2.gz RDGUKVGQYWTBBZ-MNOVXSKESA-N -1 3 396.962 3.680 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1nc(C2CCCCC2)cs1 ZINC001463970048 1064744752 /nfs/dbraw/zinc/74/47/52/1064744752.db2.gz DOZHGWBSUFOTDA-UHFFFAOYSA-N -1 3 393.534 3.744 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CCc2ccc(F)cc2)CCCCCC1 ZINC001464008893 1064767176 /nfs/dbraw/zinc/76/71/76/1064767176.db2.gz OVDWYAXMMDUCKH-UHFFFAOYSA-N -1 3 399.528 3.722 20 0 GHADHM CCCC[C@H](CC)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001464024893 1064775673 /nfs/dbraw/zinc/77/56/73/1064775673.db2.gz GSHZOMLPLKVFBE-HNNXBMFYSA-N -1 3 397.475 3.939 20 0 GHADHM COC(=O)c1ccc2c(c1)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC001464038948 1064782531 /nfs/dbraw/zinc/78/25/31/1064782531.db2.gz KDKAMSUVEQEAOF-ZDUSSCGKSA-N -1 3 399.921 3.587 20 0 GHADHM O=S(=O)([N-][C@H](C1CCC1)[C@@H]1CCCO1)c1cc(Cl)ccc1C(F)(F)F ZINC001464175552 1064887091 /nfs/dbraw/zinc/88/70/91/1064887091.db2.gz LQEITTUZZYJTIP-DZGCQCFKSA-N -1 3 397.846 3.985 20 0 GHADHM Cc1cccc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)c1[O-] ZINC001464360951 1064970504 /nfs/dbraw/zinc/97/05/04/1064970504.db2.gz JAZJRFGEIBTXJV-UHFFFAOYSA-N -1 3 379.485 3.968 20 0 GHADHM O=c1[nH]c2ccccc2cc1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001464853983 1065245666 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393.462 3.989 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc([O-])cc(Br)c1 ZINC001465762529 1065838674 /nfs/dbraw/zinc/83/86/74/1065838674.db2.gz VETCSNAJYIYGBE-UHFFFAOYSA-N -1 3 395.200 3.902 20 0 GHADHM O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001465824201 1065879234 /nfs/dbraw/zinc/87/92/34/1065879234.db2.gz DNGLHMUXGKKZNR-SFHVURJKSA-N -1 3 391.446 3.526 20 0 GHADHM COC(=O)c1cc(Br)ccc1OC(=O)c1cccc(Cl)c1[O-] ZINC001353638356 1066102824 /nfs/dbraw/zinc/10/28/24/1066102824.db2.gz ORPQGEOSNGOABU-UHFFFAOYSA-N -1 3 385.597 3.814 20 0 GHADHM CCc1ccc(C(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)c([O-])c1 ZINC001466860495 1066354536 /nfs/dbraw/zinc/35/45/36/1066354536.db2.gz JOYQCOLPZXQZGK-UHFFFAOYSA-N -1 3 396.468 3.795 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc3cc(F)c(C)cc3s2)c([O-])c1 ZINC001467715658 1067435046 /nfs/dbraw/zinc/43/50/46/1067435046.db2.gz CMWYEJWXKADFAT-UHFFFAOYSA-N -1 3 387.436 3.516 20 0 GHADHM CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(CC)ccc1[O-] ZINC001468391643 1067716224 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GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC001469376515 1068131605 /nfs/dbraw/zinc/13/16/05/1068131605.db2.gz HFGZDDMUUOPPFN-CQSZACIVSA-N -1 3 397.862 3.773 20 0 GHADHM CN(C[Si](C)(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001469689617 1068312549 /nfs/dbraw/zinc/31/25/49/1068312549.db2.gz GOMRFJXYBMFMHQ-UHFFFAOYSA-N -1 3 394.544 3.576 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)o2)cc1 ZINC001469699306 1068319565 /nfs/dbraw/zinc/31/95/65/1068319565.db2.gz MNINXFUEGXRJMZ-UHFFFAOYSA-N -1 3 379.416 3.618 20 0 GHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(-c4cnn(C)c4)o3)s2)cc1 ZINC001360071357 1068342878 /nfs/dbraw/zinc/34/28/78/1068342878.db2.gz XJCPCTFDZYIVTG-UHFFFAOYSA-N -1 3 379.445 3.683 20 0 GHADHM Cn1c(Cl)cnc1-c1csc([N-]C(=O)c2ncc(C(F)(F)F)s2)n1 ZINC001470090947 1068566999 /nfs/dbraw/zinc/56/69/99/1068566999.db2.gz CWRIEBSXNVBAKX-UHFFFAOYSA-N -1 3 393.803 3.925 20 0 GHADHM COC(=O)c1ccc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)c(F)c1 ZINC001360828662 1068651740 /nfs/dbraw/zinc/65/17/40/1068651740.db2.gz WHCSAOXBFDRVGZ-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM CCOC(=O)C(F)(F)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC001460286491 1068907626 /nfs/dbraw/zinc/90/76/26/1068907626.db2.gz ZWMPWQGMDBOCHY-OAHLLOKOSA-N -1 3 383.341 3.834 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2ncnc3scc(-c4ccccc4)c32)o1 ZINC001460344618 1068934648 /nfs/dbraw/zinc/93/46/48/1068934648.db2.gz JDUWYSQDLARXAI-UHFFFAOYSA-N -1 3 379.397 3.990 20 0 GHADHM COc1cccc(CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC001460655333 1069061254 /nfs/dbraw/zinc/06/12/54/1069061254.db2.gz ZDJJYVIBWWTUBS-OAHLLOKOSA-N -1 3 378.394 3.868 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)n1 ZINC001460753017 1069156889 /nfs/dbraw/zinc/15/68/89/1069156889.db2.gz HYLZHFVTCUWVBH-GFCCVEGCSA-N -1 3 382.386 3.509 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460783602 1069176306 /nfs/dbraw/zinc/17/63/06/1069176306.db2.gz GRAKPKILWUSXSY-KRWDZBQOSA-N -1 3 385.468 3.902 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460783602 1069176313 /nfs/dbraw/zinc/17/63/13/1069176313.db2.gz GRAKPKILWUSXSY-KRWDZBQOSA-N -1 3 385.468 3.902 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460784539 1069177265 /nfs/dbraw/zinc/17/72/65/1069177265.db2.gz JCVZSOXJKRGZJR-UHFFFAOYSA-N -1 3 383.408 3.867 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460784539 1069177269 /nfs/dbraw/zinc/17/72/69/1069177269.db2.gz JCVZSOXJKRGZJR-UHFFFAOYSA-N -1 3 383.408 3.867 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Oc2cccnc2)cc1 ZINC001470697851 1072690811 /nfs/dbraw/zinc/69/08/11/1072690811.db2.gz JDGYLEUVDHMNPD-UHFFFAOYSA-N -1 3 376.416 3.567 20 0 GHADHM CC1(C)CCc2onc(CNC(=O)c3c[n-]c4c(Cl)cccc4c3=O)c2C1 ZINC001471684285 1073177909 /nfs/dbraw/zinc/17/79/09/1073177909.db2.gz FDNPYRYZTZRKDC-UHFFFAOYSA-N -1 3 385.851 3.614 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC001471996609 1073297373 /nfs/dbraw/zinc/29/73/73/1073297373.db2.gz LSILAGHQCDRVIP-PXNSSMCTSA-N -1 3 380.488 3.615 20 0 GHADHM CCOC(=O)[C@@](C)(CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)CC(C)C ZINC001472005745 1073301922 /nfs/dbraw/zinc/30/19/22/1073301922.db2.gz XDYZUTVSTFPTSQ-HXUWFJFHSA-N -1 3 392.883 3.527 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472108851 1073336192 /nfs/dbraw/zinc/33/61/92/1073336192.db2.gz BACHIPYHXVQCSO-SCZZXKLOSA-N -1 3 376.766 3.512 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112242 1073337598 /nfs/dbraw/zinc/33/75/98/1073337598.db2.gz YXRWVVUKKCUMKC-SSDOTTSWSA-N -1 3 375.782 3.660 20 0 GHADHM C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112036 1073337701 /nfs/dbraw/zinc/33/77/01/1073337701.db2.gz WOXWNXZKNPBWOV-LBPRGKRZSA-N -1 3 381.402 3.551 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(OC)cc2)C2CCC2)c1 ZINC001472208567 1073372095 /nfs/dbraw/zinc/37/20/95/1073372095.db2.gz NUZVKGXBZFDBCS-NRFANRHFSA-N -1 3 380.444 3.797 20 0 GHADHM Cc1ccc(Cl)cc1OCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472242171 1073381419 /nfs/dbraw/zinc/38/14/19/1073381419.db2.gz DOEBIAUHACONDP-UHFFFAOYSA-N -1 3 399.834 3.746 20 0 GHADHM Cc1ccc(Cl)cc1OCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472242171 1073381420 /nfs/dbraw/zinc/38/14/20/1073381420.db2.gz DOEBIAUHACONDP-UHFFFAOYSA-N -1 3 399.834 3.746 20 0 GHADHM O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288440 1073401433 /nfs/dbraw/zinc/40/14/33/1073401433.db2.gz JXFHKSNZUBZSHO-AULYBMBSSA-N -1 3 396.274 3.710 20 0 GHADHM Cn1c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)nc2cc(Cl)ccc21 ZINC001472495665 1073513238 /nfs/dbraw/zinc/51/32/38/1073513238.db2.gz VVZSTCQKKAVQSR-UHFFFAOYSA-N -1 3 388.761 3.599 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cn(-c4ccccc4)nc3C(C)C)n[n-]2)o1 ZINC001472526178 1073531088 /nfs/dbraw/zinc/53/10/88/1073531088.db2.gz IPRRIOJIZBMVRJ-UHFFFAOYSA-N -1 3 376.420 3.935 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(-n4cc[nH]c4=S)c3)c[n-]c12 ZINC001472553843 1073548816 /nfs/dbraw/zinc/54/88/16/1073548816.db2.gz SPUCWQWWFLERAC-UHFFFAOYSA-N -1 3 376.441 3.563 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(OC4CCCC4)cc3)c2c1=O ZINC001472585286 1073561183 /nfs/dbraw/zinc/56/11/83/1073561183.db2.gz NAULAWMJOVJQOZ-UHFFFAOYSA-N -1 3 380.448 3.627 20 0 GHADHM Cc1cccc(Oc2cccc(NC(=O)CNC(=O)c3ccc([O-])cc3)c2)c1 ZINC001472612112 1073574961 /nfs/dbraw/zinc/57/49/61/1073574961.db2.gz JUVZNYUUZUZPQM-UHFFFAOYSA-N -1 3 376.412 3.861 20 0 GHADHM O=c1nc(CN[C@H](CO)c2cccc(F)c2)[n-]c2scc(-c3ccco3)c21 ZINC001473301030 1073911915 /nfs/dbraw/zinc/91/19/15/1073911915.db2.gz XFSQFWQGQVAPDG-CQSZACIVSA-N -1 3 385.420 3.619 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1ccc(Br)cc1F ZINC001474819440 1074577851 /nfs/dbraw/zinc/57/78/51/1074577851.db2.gz LVKZYVBDFGSCHK-CYBMUJFWSA-N -1 3 398.297 3.987 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001474932189 1074637968 /nfs/dbraw/zinc/63/79/68/1074637968.db2.gz KXJRQCPNRZIQLG-ZDUSSCGKSA-N -1 3 390.436 3.741 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1ccccc1Cl ZINC001475025657 1074692312 /nfs/dbraw/zinc/69/23/12/1074692312.db2.gz KOXMWJLCQTZYBD-JTQLQIEISA-N -1 3 378.252 3.878 20 0 GHADHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001475113779 1074742527 /nfs/dbraw/zinc/74/25/27/1074742527.db2.gz SUXOXIROGCCQJB-NSHDSACASA-N -1 3 389.926 3.712 20 0 GHADHM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475135333 1074752870 /nfs/dbraw/zinc/75/28/70/1074752870.db2.gz ZVJSYNZMODJGCN-ZEGGKSINSA-N -1 3 385.835 3.697 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H]2CCc3ccc(-c4ccccc4)cc32)s1 ZINC001475220633 1074791344 /nfs/dbraw/zinc/79/13/44/1074791344.db2.gz DZPOIBDGCMFBCK-KRWDZBQOSA-N -1 3 386.498 3.785 20 0 GHADHM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001475255219 1074807481 /nfs/dbraw/zinc/80/74/81/1074807481.db2.gz VSXVDFUUMAHDLY-NSHDSACASA-N -1 3 396.921 3.868 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)cc2)c1 ZINC001475286316 1074822611 /nfs/dbraw/zinc/82/26/11/1074822611.db2.gz RYUUHXAFAFPOEE-UHFFFAOYSA-N -1 3 380.897 3.843 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)C(=O)c1ccccc1 ZINC001475338101 1074838890 /nfs/dbraw/zinc/83/88/90/1074838890.db2.gz PJHAKKYOWVIRNX-UHFFFAOYSA-N -1 3 375.421 3.820 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC001475347306 1074842610 /nfs/dbraw/zinc/84/26/10/1074842610.db2.gz QFTXQIHJYLPUEI-CHWSQXEVSA-N -1 3 390.908 3.932 20 0 GHADHM O=S(=O)([N-]CC1(C2CCC2)CCC1)c1cccc(OC(F)(F)F)c1F ZINC001475367596 1074851366 /nfs/dbraw/zinc/85/13/66/1074851366.db2.gz PCATXIYRPYQKFT-UHFFFAOYSA-N -1 3 381.391 3.973 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(Br)c(C(F)(F)F)c1 ZINC001475398296 1074860952 /nfs/dbraw/zinc/86/09/52/1074860952.db2.gz UFGQFLSIGFTYCQ-UHFFFAOYSA-N -1 3 399.188 3.576 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@H]1CCCCO1 ZINC001475440586 1074876229 /nfs/dbraw/zinc/87/62/29/1074876229.db2.gz LPWPIMHKFQQPJQ-ZIAGYGMSSA-N -1 3 394.306 3.523 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(F)c2F)s1 ZINC001475545760 1074910143 /nfs/dbraw/zinc/91/01/43/1074910143.db2.gz PYBGHCDIQQHXSJ-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(Br)c1 ZINC001475577287 1074918932 /nfs/dbraw/zinc/91/89/32/1074918932.db2.gz ZHYXJJGUXGYUGZ-DNJQJEMRSA-N -1 3 396.734 3.501 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCSC1)c1cccc(Cl)c1Br ZINC001475583079 1074920448 /nfs/dbraw/zinc/92/04/48/1074920448.db2.gz LVCZBRGZIJOMJU-SECBINFHSA-N -1 3 384.748 3.524 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCSCCC(F)(F)F ZINC001475586380 1074921348 /nfs/dbraw/zinc/92/13/48/1074921348.db2.gz HFCVDLBMHNDGLE-UHFFFAOYSA-N -1 3 385.404 3.844 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC001475669661 1074996710 /nfs/dbraw/zinc/99/67/10/1074996710.db2.gz QPCKYMAPWXWHGJ-GDBMZVCRSA-N -1 3 389.370 3.597 20 0 GHADHM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001475680365 1074998853 /nfs/dbraw/zinc/99/88/53/1074998853.db2.gz GLGDYRAWKGPIIG-ABAIWWIYSA-N -1 3 396.336 3.781 20 0 GHADHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC001475682490 1074999117 /nfs/dbraw/zinc/99/91/17/1074999117.db2.gz NAOGFDZVXGMATD-INIZCTEOSA-N -1 3 396.306 3.694 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001475725580 1075009776 /nfs/dbraw/zinc/00/97/76/1075009776.db2.gz RTVMKXORMRCBQG-QMMMGPOBSA-N -1 3 396.822 3.640 20 0 GHADHM O=S(=O)([N-]C1CC(Cl)(Cl)C1)c1cc(Br)ccc1Cl ZINC001475734123 1075011056 /nfs/dbraw/zinc/01/10/56/1075011056.db2.gz QZKHCEYMPQOTKU-UHFFFAOYSA-N -1 3 393.517 3.717 20 0 GHADHM COC(=O)C1(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC001475758116 1075015687 /nfs/dbraw/zinc/01/56/87/1075015687.db2.gz MYSZWBKDFDLZJN-UHFFFAOYSA-N -1 3 394.320 3.785 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCCC1)c1cccc(Br)c1F ZINC001475797861 1075024155 /nfs/dbraw/zinc/02/41/55/1075024155.db2.gz CQYLBOWJCWWZJY-RYUDHWBXSA-N -1 3 376.291 3.693 20 0 GHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001476198291 1075102249 /nfs/dbraw/zinc/10/22/49/1075102249.db2.gz DOYFKMPPUYHUQK-UHFFFAOYSA-N -1 3 376.342 3.539 20 0 GHADHM O=C(Nc1ccc(CC(F)(F)F)cc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001476198291 1075102251 /nfs/dbraw/zinc/10/22/51/1075102251.db2.gz DOYFKMPPUYHUQK-UHFFFAOYSA-N -1 3 376.342 3.539 20 0 GHADHM COc1nc2ccccc2cc1CN[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001607356908 1126233634 /nfs/dbraw/zinc/23/36/34/1126233634.db2.gz JEWKPYVNYWLEMQ-LJQANCHMSA-N -1 3 376.412 3.775 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c([O-])c1C ZINC000328602109 212082227 /nfs/dbraw/zinc/08/22/27/212082227.db2.gz AFTVSMFFEOFOQG-OPAMFIHVSA-N -1 3 381.476 3.538 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1cccc2ccccc21 ZINC000737524699 598825679 /nfs/dbraw/zinc/82/56/79/598825679.db2.gz QBDDLOGKVSMSAJ-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1cccc2ccccc21 ZINC000737524699 598825681 /nfs/dbraw/zinc/82/56/81/598825681.db2.gz QBDDLOGKVSMSAJ-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM CS[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000737173714 598829751 /nfs/dbraw/zinc/82/97/51/598829751.db2.gz ZYZYXBADMZUKNH-HNNXBMFYSA-N -1 3 385.518 3.850 20 0 GHADHM CS[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccccc1 ZINC000737173714 598829753 /nfs/dbraw/zinc/82/97/53/598829753.db2.gz ZYZYXBADMZUKNH-HNNXBMFYSA-N -1 3 385.518 3.850 20 0 GHADHM Cc1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(C)o1 ZINC000737237012 598834374 /nfs/dbraw/zinc/83/43/74/598834374.db2.gz ZEOWZUDUXDVTAZ-UHFFFAOYSA-N -1 3 379.445 3.735 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cccc(F)c1F ZINC000738113105 598836824 /nfs/dbraw/zinc/83/68/24/598836824.db2.gz VAKSJPVAAVYBQB-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM Cc1cc2cc(N[C@@H](C)C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2[nH]1 ZINC000737283807 598836849 /nfs/dbraw/zinc/83/68/49/598836849.db2.gz HFDJRTBCYWSYRK-NSHDSACASA-N -1 3 395.854 3.749 20 0 GHADHM Cc1cc2cc(N[C@@H](C)C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2[nH]1 ZINC000737283807 598836851 /nfs/dbraw/zinc/83/68/51/598836851.db2.gz HFDJRTBCYWSYRK-NSHDSACASA-N -1 3 395.854 3.749 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(C)cc2C)c1C ZINC000737315147 598839952 /nfs/dbraw/zinc/83/99/52/598839952.db2.gz KGPMUFMLWZWYGM-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736685500 598848261 /nfs/dbraw/zinc/84/82/61/598848261.db2.gz MDXLSROIUOBXOZ-SFHVURJKSA-N -1 3 394.479 3.578 20 0 GHADHM c1ccc(Oc2ccc(NCCCOc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000738433294 598872303 /nfs/dbraw/zinc/87/23/03/598872303.db2.gz PLESDRGBBHFSBW-UHFFFAOYSA-N -1 3 388.431 3.935 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(Cl)ccc1Cl ZINC000736039395 598884211 /nfs/dbraw/zinc/88/42/11/598884211.db2.gz IYNXTOPPERJJHS-JTQLQIEISA-N -1 3 393.230 3.798 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(Cl)ccc1Cl ZINC000736039395 598884212 /nfs/dbraw/zinc/88/42/12/598884212.db2.gz IYNXTOPPERJJHS-JTQLQIEISA-N -1 3 393.230 3.798 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1ccc(Cl)s1 ZINC000736037436 598885742 /nfs/dbraw/zinc/88/57/42/598885742.db2.gz LERCPSCIAJUVGB-NSHDSACASA-N -1 3 392.868 3.525 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1ccc(Cl)s1 ZINC000736037436 598885743 /nfs/dbraw/zinc/88/57/43/598885743.db2.gz LERCPSCIAJUVGB-NSHDSACASA-N -1 3 392.868 3.525 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc2ccccc2c1 ZINC000736037382 598888951 /nfs/dbraw/zinc/88/89/51/598888951.db2.gz KTSXHAASYDTKNV-OAHLLOKOSA-N -1 3 388.427 3.573 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc2ccccc2c1 ZINC000736037382 598888952 /nfs/dbraw/zinc/88/89/52/598888952.db2.gz KTSXHAASYDTKNV-OAHLLOKOSA-N -1 3 388.427 3.573 20 0 GHADHM CC(C)c1nc(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)no1 ZINC000735940020 598901630 /nfs/dbraw/zinc/90/16/30/598901630.db2.gz OXJRGJQQVUKEGQ-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM CC(C)c1nc(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)no1 ZINC000735940020 598901632 /nfs/dbraw/zinc/90/16/32/598901632.db2.gz OXJRGJQQVUKEGQ-UHFFFAOYSA-N -1 3 379.449 3.727 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000736740586 598902302 /nfs/dbraw/zinc/90/23/02/598902302.db2.gz BRVBDXCRLLNDKG-OAHLLOKOSA-N -1 3 398.923 3.706 20 0 GHADHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000736740586 598902306 /nfs/dbraw/zinc/90/23/06/598902306.db2.gz BRVBDXCRLLNDKG-OAHLLOKOSA-N -1 3 398.923 3.706 20 0 GHADHM O=C(Cc1ccc(Br)s1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737955389 598903928 /nfs/dbraw/zinc/90/39/28/598903928.db2.gz FXJYQWBVHUJFSW-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(Cc1ccc(Br)s1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737955389 598903930 /nfs/dbraw/zinc/90/39/30/598903930.db2.gz FXJYQWBVHUJFSW-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM CC[C@@H](CC1CCCC1)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736352160 598905711 /nfs/dbraw/zinc/90/57/11/598905711.db2.gz WQUYCTKBRSQCAO-KRWDZBQOSA-N -1 3 397.523 3.843 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000735670169 598919687 /nfs/dbraw/zinc/91/96/87/598919687.db2.gz HBBLLFCGRZIMMG-UHFFFAOYSA-N -1 3 387.513 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000735670169 598919689 /nfs/dbraw/zinc/91/96/89/598919689.db2.gz HBBLLFCGRZIMMG-UHFFFAOYSA-N -1 3 387.513 3.584 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccc(Cl)s1 ZINC000736362973 598923208 /nfs/dbraw/zinc/92/32/08/598923208.db2.gz LOZUBRJBKHQZFZ-JTQLQIEISA-N -1 3 392.872 3.863 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccc(Cl)s1 ZINC000736362973 598923209 /nfs/dbraw/zinc/92/32/09/598923209.db2.gz LOZUBRJBKHQZFZ-JTQLQIEISA-N -1 3 392.872 3.863 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000736508448 598926228 /nfs/dbraw/zinc/92/62/28/598926228.db2.gz LWMIPOVEXBJRMJ-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000736508448 598926230 /nfs/dbraw/zinc/92/62/30/598926230.db2.gz LWMIPOVEXBJRMJ-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM CCN(CC(C)C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736511929 598926271 /nfs/dbraw/zinc/92/62/71/598926271.db2.gz GETLPCOCSBLPKB-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CCN(CC(C)C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736511929 598926272 /nfs/dbraw/zinc/92/62/72/598926272.db2.gz GETLPCOCSBLPKB-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000737196677 598928209 /nfs/dbraw/zinc/92/82/09/598928209.db2.gz XNLOXYYBCSBHOX-RZDIXWSQSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000737196677 598928213 /nfs/dbraw/zinc/92/82/13/598928213.db2.gz XNLOXYYBCSBHOX-RZDIXWSQSA-N -1 3 391.475 3.754 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736209610 598932306 /nfs/dbraw/zinc/93/23/06/598932306.db2.gz AXULLAMNNLLCRJ-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736209610 598932307 /nfs/dbraw/zinc/93/23/07/598932307.db2.gz AXULLAMNNLLCRJ-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM Clc1ccccc1C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737583422 598939537 /nfs/dbraw/zinc/93/95/37/598939537.db2.gz KOVSGZORWPOLSC-ZDUSSCGKSA-N -1 3 375.263 3.780 20 0 GHADHM Clc1ccccc1C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737583422 598939538 /nfs/dbraw/zinc/93/95/38/598939538.db2.gz KOVSGZORWPOLSC-ZDUSSCGKSA-N -1 3 375.263 3.780 20 0 GHADHM CC[C@H]1CCCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736401156 598977677 /nfs/dbraw/zinc/97/76/77/598977677.db2.gz VYRFTDVUGGTNMZ-IBGZPJMESA-N -1 3 391.475 3.850 20 0 GHADHM CC(C)[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735723499 599006642 /nfs/dbraw/zinc/00/66/42/599006642.db2.gz YWZRJIPGUHGODC-IBGZPJMESA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735723499 599006644 /nfs/dbraw/zinc/00/66/44/599006644.db2.gz YWZRJIPGUHGODC-IBGZPJMESA-N -1 3 383.883 3.966 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccccc1Cl ZINC000737033553 599009812 /nfs/dbraw/zinc/00/98/12/599009812.db2.gz WVUBSWCCZSNQCL-UHFFFAOYSA-N -1 3 376.869 3.841 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccccc1Cl ZINC000737033553 599009814 /nfs/dbraw/zinc/00/98/14/599009814.db2.gz WVUBSWCCZSNQCL-UHFFFAOYSA-N -1 3 376.869 3.841 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000736481613 599015564 /nfs/dbraw/zinc/01/55/64/599015564.db2.gz YMMOCVWDPYDCPZ-IBGZPJMESA-N -1 3 375.476 3.725 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000736481613 599015566 /nfs/dbraw/zinc/01/55/66/599015566.db2.gz YMMOCVWDPYDCPZ-IBGZPJMESA-N -1 3 375.476 3.725 20 0 GHADHM NC(=O)[C@H](SCc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740539 599013094 /nfs/dbraw/zinc/01/30/94/599013094.db2.gz NPJWBNLGLWBJCH-CQSZACIVSA-N -1 3 394.287 3.633 20 0 GHADHM NC(=O)[C@H](SCc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740539 599013096 /nfs/dbraw/zinc/01/30/96/599013096.db2.gz NPJWBNLGLWBJCH-CQSZACIVSA-N -1 3 394.287 3.633 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1C ZINC000737336360 599022753 /nfs/dbraw/zinc/02/27/53/599022753.db2.gz AJWDGPBISGQKMY-UHFFFAOYSA-N -1 3 380.427 3.819 20 0 GHADHM Cc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1C ZINC000737336360 599022755 /nfs/dbraw/zinc/02/27/55/599022755.db2.gz AJWDGPBISGQKMY-UHFFFAOYSA-N -1 3 380.427 3.819 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737190288 599026863 /nfs/dbraw/zinc/02/68/63/599026863.db2.gz FKERYERPXOKZBC-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737190288 599026865 /nfs/dbraw/zinc/02/68/65/599026865.db2.gz FKERYERPXOKZBC-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC2CCC(C(F)(F)F)CC2)n1 ZINC000737633853 599042168 /nfs/dbraw/zinc/04/21/68/599042168.db2.gz WZSSLJOTABBRRW-UHFFFAOYSA-N -1 3 380.296 3.814 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC2CCC(C(F)(F)F)CC2)n1 ZINC000737633853 599042171 /nfs/dbraw/zinc/04/21/71/599042171.db2.gz WZSSLJOTABBRRW-UHFFFAOYSA-N -1 3 380.296 3.814 20 0 GHADHM CC(C)Oc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000735913264 599045460 /nfs/dbraw/zinc/04/54/60/599045460.db2.gz LZJYJXRGCJENRI-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000735913264 599045463 /nfs/dbraw/zinc/04/54/63/599045463.db2.gz LZJYJXRGCJENRI-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM Cc1cccc2c1OCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737409666 599051774 /nfs/dbraw/zinc/05/17/74/599051774.db2.gz PPAUHSJTWDLENG-LBPRGKRZSA-N -1 3 376.342 3.525 20 0 GHADHM Cc1cccc2c1OCC[C@@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737409666 599051776 /nfs/dbraw/zinc/05/17/76/599051776.db2.gz PPAUHSJTWDLENG-LBPRGKRZSA-N -1 3 376.342 3.525 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736231929 599056618 /nfs/dbraw/zinc/05/66/18/599056618.db2.gz YQTOORWMIOYHOS-GOSISDBHSA-N -1 3 388.397 3.839 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736231929 599056619 /nfs/dbraw/zinc/05/66/19/599056619.db2.gz YQTOORWMIOYHOS-GOSISDBHSA-N -1 3 388.397 3.839 20 0 GHADHM Cc1cc2nc(Sc3ccc(-c4nnn[n-]4)cc3F)c3ccccc3n2n1 ZINC000822212711 599057727 /nfs/dbraw/zinc/05/77/27/599057727.db2.gz DOCIDXSLNZVHBC-UHFFFAOYSA-N -1 3 377.408 3.661 20 0 GHADHM Cc1cc2nc(Sc3ccc(-c4nn[n-]n4)cc3F)c3ccccc3n2n1 ZINC000822212711 599057729 /nfs/dbraw/zinc/05/77/29/599057729.db2.gz DOCIDXSLNZVHBC-UHFFFAOYSA-N -1 3 377.408 3.661 20 0 GHADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736351637 599076890 /nfs/dbraw/zinc/07/68/90/599076890.db2.gz QDRWMCUMFLVWOM-HNAYVOBHSA-N -1 3 393.491 3.507 20 0 GHADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000736358431 599077380 /nfs/dbraw/zinc/07/73/80/599077380.db2.gz UJPZDQIRMYVBQM-VKNLVWNJSA-N -1 3 375.476 3.753 20 0 GHADHM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000736358431 599077383 /nfs/dbraw/zinc/07/73/83/599077383.db2.gz UJPZDQIRMYVBQM-VKNLVWNJSA-N -1 3 375.476 3.753 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330804 599083244 /nfs/dbraw/zinc/08/32/44/599083244.db2.gz OARJJSDVENNUTP-HXUWFJFHSA-N -1 3 375.476 3.862 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330804 599083247 /nfs/dbraw/zinc/08/32/47/599083247.db2.gz OARJJSDVENNUTP-HXUWFJFHSA-N -1 3 375.476 3.862 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736267114 599101348 /nfs/dbraw/zinc/10/13/48/599101348.db2.gz QEZVXPAPBLNSFW-CABCVRRESA-N -1 3 376.464 3.871 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736267117 599101854 /nfs/dbraw/zinc/10/18/54/599101854.db2.gz QEZVXPAPBLNSFW-GJZGRUSLSA-N -1 3 376.464 3.871 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC000737336145 599104887 /nfs/dbraw/zinc/10/48/87/599104887.db2.gz XXVZCRIUBOLLBP-FQEVSTJZSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC000737336145 599104889 /nfs/dbraw/zinc/10/48/89/599104889.db2.gz XXVZCRIUBOLLBP-FQEVSTJZSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccn2)cc1 ZINC000737333381 599104962 /nfs/dbraw/zinc/10/49/62/599104962.db2.gz ADIXSFAENPDJBF-FQEVSTJZSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)cc1 ZINC000737333381 599104963 /nfs/dbraw/zinc/10/49/63/599104963.db2.gz ADIXSFAENPDJBF-FQEVSTJZSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737220021 599118094 /nfs/dbraw/zinc/11/80/94/599118094.db2.gz UZQSLCKRTGRLLE-INIZCTEOSA-N -1 3 392.507 3.904 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737220021 599118097 /nfs/dbraw/zinc/11/80/97/599118097.db2.gz UZQSLCKRTGRLLE-INIZCTEOSA-N -1 3 392.507 3.904 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821477097 599140369 /nfs/dbraw/zinc/14/03/69/599140369.db2.gz YHRFKSFISLWGPQ-UHFFFAOYSA-N -1 3 387.443 3.961 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821477097 599140373 /nfs/dbraw/zinc/14/03/73/599140373.db2.gz YHRFKSFISLWGPQ-UHFFFAOYSA-N -1 3 387.443 3.961 20 0 GHADHM C/C(=C\C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)(C)C ZINC000819764952 599141295 /nfs/dbraw/zinc/14/12/95/599141295.db2.gz MCFGFTRZLYTGAX-ACCUITESSA-N -1 3 378.436 3.985 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000822216432 599149095 /nfs/dbraw/zinc/14/90/95/599149095.db2.gz OLJFIBFSQIFNKJ-VIFPVBQESA-N -1 3 392.282 3.741 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000822216432 599149097 /nfs/dbraw/zinc/14/90/97/599149097.db2.gz OLJFIBFSQIFNKJ-VIFPVBQESA-N -1 3 392.282 3.741 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ncc(-c2ccccc2C)o1 ZINC000736625348 599159074 /nfs/dbraw/zinc/15/90/74/599159074.db2.gz BKURCWNJFIRGSQ-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ncc(-c2ccccc2C)o1 ZINC000736625348 599159075 /nfs/dbraw/zinc/15/90/75/599159075.db2.gz BKURCWNJFIRGSQ-UHFFFAOYSA-N -1 3 377.404 3.808 20 0 GHADHM Clc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000737572735 599160274 /nfs/dbraw/zinc/16/02/74/599160274.db2.gz BYQSSBREDSARTP-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000737572735 599160277 /nfs/dbraw/zinc/16/02/77/599160277.db2.gz BYQSSBREDSARTP-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM c1ccc2nc(SCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)ccc2c1 ZINC000738406319 599160832 /nfs/dbraw/zinc/16/08/32/599160832.db2.gz TZILRMLNUYMDSG-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM c1ccc2nc(SCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)ccc2c1 ZINC000738406319 599160833 /nfs/dbraw/zinc/16/08/33/599160833.db2.gz TZILRMLNUYMDSG-UHFFFAOYSA-N -1 3 387.428 3.757 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820881908 599168277 /nfs/dbraw/zinc/16/82/77/599168277.db2.gz FKLHMLLBVOWJRG-RBJHHQRMSA-N -1 3 395.438 3.513 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820881908 599168281 /nfs/dbraw/zinc/16/82/81/599168281.db2.gz FKLHMLLBVOWJRG-RBJHHQRMSA-N -1 3 395.438 3.513 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822214054 599171625 /nfs/dbraw/zinc/17/16/25/599171625.db2.gz NHYMQXHZIFGIMP-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822214054 599171627 /nfs/dbraw/zinc/17/16/27/599171627.db2.gz NHYMQXHZIFGIMP-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2c(ccc3ccccc23)[nH]1 ZINC000823242076 599175208 /nfs/dbraw/zinc/17/52/08/599175208.db2.gz PDWZSXSOTFEXBB-UHFFFAOYSA-N -1 3 386.390 3.570 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2c(ccc3ccccc23)[nH]1 ZINC000823242076 599175209 /nfs/dbraw/zinc/17/52/09/599175209.db2.gz PDWZSXSOTFEXBB-UHFFFAOYSA-N -1 3 386.390 3.570 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000736629140 599179450 /nfs/dbraw/zinc/17/94/50/599179450.db2.gz UQJMFZFCQGSHPU-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000736629140 599179452 /nfs/dbraw/zinc/17/94/52/599179452.db2.gz UQJMFZFCQGSHPU-JTQLQIEISA-N -1 3 390.802 3.767 20 0 GHADHM O=C([C@H]1Cc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737792307 599185950 /nfs/dbraw/zinc/18/59/50/599185950.db2.gz NPAVURUGEGJJPC-FQEVSTJZSA-N -1 3 381.439 3.740 20 0 GHADHM O=C([C@H]1Cc2ccccc21)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737792307 599185953 /nfs/dbraw/zinc/18/59/53/599185953.db2.gz NPAVURUGEGJJPC-FQEVSTJZSA-N -1 3 381.439 3.740 20 0 GHADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735512618 599182345 /nfs/dbraw/zinc/18/23/45/599182345.db2.gz HVDOERDUKAIFCY-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735512618 599182348 /nfs/dbraw/zinc/18/23/48/599182348.db2.gz HVDOERDUKAIFCY-LBPRGKRZSA-N -1 3 389.381 3.648 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736326547 599218663 /nfs/dbraw/zinc/21/86/63/599218663.db2.gz NSPKCDKTDZMJTP-AWEZNQCLSA-N -1 3 382.443 3.516 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736326547 599218666 /nfs/dbraw/zinc/21/86/66/599218666.db2.gz NSPKCDKTDZMJTP-AWEZNQCLSA-N -1 3 382.443 3.516 20 0 GHADHM COc1ccc(-c2nnc(CS[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821732993 599226124 /nfs/dbraw/zinc/22/61/24/599226124.db2.gz XOEAGAGWWRCRBV-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2nnc(CS[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000821732993 599226128 /nfs/dbraw/zinc/22/61/28/599226128.db2.gz XOEAGAGWWRCRBV-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737628423 599234437 /nfs/dbraw/zinc/23/44/37/599234437.db2.gz VQEPLTJISSAWMB-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737628423 599234439 /nfs/dbraw/zinc/23/44/39/599234439.db2.gz VQEPLTJISSAWMB-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380075 599240305 /nfs/dbraw/zinc/24/03/05/599240305.db2.gz KUZUERLWPOHUQV-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380075 599240307 /nfs/dbraw/zinc/24/03/07/599240307.db2.gz KUZUERLWPOHUQV-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737216839 599241017 /nfs/dbraw/zinc/24/10/17/599241017.db2.gz ZMKCEMLVONATOE-UHFFFAOYSA-N -1 3 396.520 3.867 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)c2)cs1 ZINC000822418793 607271201 /nfs/dbraw/zinc/27/12/01/607271201.db2.gz GHXPISPSEHWWES-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)c2)cs1 ZINC000822418793 607271202 /nfs/dbraw/zinc/27/12/02/607271202.db2.gz GHXPISPSEHWWES-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccnc3ccccc23)s1 ZINC000736679258 599249181 /nfs/dbraw/zinc/24/91/81/599249181.db2.gz QBKGGLPIDHDRRP-BQYQJAHWSA-N -1 3 376.445 3.691 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccnc3ccccc23)s1 ZINC000736679258 599249184 /nfs/dbraw/zinc/24/91/84/599249184.db2.gz QBKGGLPIDHDRRP-BQYQJAHWSA-N -1 3 376.445 3.691 20 0 GHADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)on1 ZINC000820897900 599249766 /nfs/dbraw/zinc/24/97/66/599249766.db2.gz PXZGZUJNGRBGJG-UHFFFAOYSA-N -1 3 389.847 3.733 20 0 GHADHM CCC(CC)c1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)on1 ZINC000820897900 599249768 /nfs/dbraw/zinc/24/97/68/599249768.db2.gz PXZGZUJNGRBGJG-UHFFFAOYSA-N -1 3 389.847 3.733 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379927 599251496 /nfs/dbraw/zinc/25/14/96/599251496.db2.gz IGUFFFYPEQANAT-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379927 599251499 /nfs/dbraw/zinc/25/14/99/599251499.db2.gz IGUFFFYPEQANAT-JTQLQIEISA-N -1 3 392.341 3.648 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822075659 607288690 /nfs/dbraw/zinc/28/86/90/607288690.db2.gz HGTRPQVODAHNBT-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822075659 607288691 /nfs/dbraw/zinc/28/86/91/607288691.db2.gz HGTRPQVODAHNBT-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818378636 597333500 /nfs/dbraw/zinc/33/35/00/597333500.db2.gz XRCCJSRKQQTALD-UHFFFAOYSA-N -1 3 389.883 3.563 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)COc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000737378398 599262627 /nfs/dbraw/zinc/26/26/27/599262627.db2.gz AXJBKIBDEHSREB-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)COc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000737378398 599262629 /nfs/dbraw/zinc/26/26/29/599262629.db2.gz AXJBKIBDEHSREB-UHFFFAOYSA-N -1 3 399.454 3.537 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737932546 599260712 /nfs/dbraw/zinc/26/07/12/599260712.db2.gz NKUMUCZBMNZXFV-UHFFFAOYSA-N -1 3 399.564 3.965 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC(C1CCCC1)C1CCCC1 ZINC000737932546 599260715 /nfs/dbraw/zinc/26/07/15/599260715.db2.gz NKUMUCZBMNZXFV-UHFFFAOYSA-N -1 3 399.564 3.965 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC=C(c2ccc(O)cc2)CC1 ZINC000737411406 599262841 /nfs/dbraw/zinc/26/28/41/599262841.db2.gz XWNRATHWOCYYCP-UHFFFAOYSA-N -1 3 384.443 3.723 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC=C(c2ccc(O)cc2)CC1 ZINC000737411406 599262843 /nfs/dbraw/zinc/26/28/43/599262843.db2.gz XWNRATHWOCYYCP-UHFFFAOYSA-N -1 3 384.443 3.723 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821693704 607310614 /nfs/dbraw/zinc/31/06/14/607310614.db2.gz KCCCQNWPALWWDZ-UHFFFAOYSA-N -1 3 399.398 3.584 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4-c4nnn[n-]4)cc3)C[C@@H]21 ZINC000820586015 599264602 /nfs/dbraw/zinc/26/46/02/599264602.db2.gz RMXRJCIROSVANE-CALCHBBNSA-N -1 3 390.447 3.779 20 0 GHADHM CC1(C)[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4-c4nn[n-]n4)cc3)C[C@@H]21 ZINC000820586015 599264604 /nfs/dbraw/zinc/26/46/04/599264604.db2.gz RMXRJCIROSVANE-CALCHBBNSA-N -1 3 390.447 3.779 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc21 ZINC000821148926 599284005 /nfs/dbraw/zinc/28/40/05/599284005.db2.gz QEFPXPZNODOOOB-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM CCCn1ccc2ccc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc21 ZINC000821148926 599284006 /nfs/dbraw/zinc/28/40/06/599284006.db2.gz QEFPXPZNODOOOB-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000822208351 599285178 /nfs/dbraw/zinc/28/51/78/599285178.db2.gz ODZMTCIUMHDIOW-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1cc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000822208351 599285180 /nfs/dbraw/zinc/28/51/80/599285180.db2.gz ODZMTCIUMHDIOW-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191869 599289319 /nfs/dbraw/zinc/28/93/19/599289319.db2.gz JGWGXALJSOGRKE-NSHDSACASA-N -1 3 382.424 3.833 20 0 GHADHM C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191869 599289321 /nfs/dbraw/zinc/28/93/21/599289321.db2.gz JGWGXALJSOGRKE-NSHDSACASA-N -1 3 382.424 3.833 20 0 GHADHM CCn1c(=O)c2sccc2nc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736713682 599290142 /nfs/dbraw/zinc/29/01/42/599290142.db2.gz LCNJYVNWEJMDFD-SNVBAGLBSA-N -1 3 384.490 3.511 20 0 GHADHM CCn1c(=O)c2sccc2nc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736713682 599290144 /nfs/dbraw/zinc/29/01/44/599290144.db2.gz LCNJYVNWEJMDFD-SNVBAGLBSA-N -1 3 384.490 3.511 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N(CCc1ccccc1)Cc1cccnc1 ZINC000822563959 607328854 /nfs/dbraw/zinc/32/88/54/607328854.db2.gz SCQJIVZAFQODAD-UHFFFAOYSA-N -1 3 391.866 3.559 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N(CCc1ccccc1)Cc1cccnc1 ZINC000822563959 607328855 /nfs/dbraw/zinc/32/88/55/607328855.db2.gz SCQJIVZAFQODAD-UHFFFAOYSA-N -1 3 391.866 3.559 20 0 GHADHM O=C(CCc1ccccn1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737860685 598232543 /nfs/dbraw/zinc/23/25/43/598232543.db2.gz MWJVYXXDHHVKHT-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(CCc1ccccn1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737860685 598232545 /nfs/dbraw/zinc/23/25/45/598232545.db2.gz MWJVYXXDHHVKHT-UHFFFAOYSA-N -1 3 386.415 3.625 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc2c(c1)CCO2 ZINC000738185956 598232678 /nfs/dbraw/zinc/23/26/78/598232678.db2.gz VCAPFSSXRUTMAH-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc2c(c1)CCO2 ZINC000738185956 598232680 /nfs/dbraw/zinc/23/26/80/598232680.db2.gz VCAPFSSXRUTMAH-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000737308586 598238703 /nfs/dbraw/zinc/23/87/03/598238703.db2.gz KVTPMJBVMBUAQQ-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000737308586 598238704 /nfs/dbraw/zinc/23/87/04/598238704.db2.gz KVTPMJBVMBUAQQ-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM CCc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000736698532 598264262 /nfs/dbraw/zinc/26/42/62/598264262.db2.gz JFRXBZBNEVEUPD-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CCc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000736698532 598264264 /nfs/dbraw/zinc/26/42/64/598264264.db2.gz JFRXBZBNEVEUPD-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921949 598268299 /nfs/dbraw/zinc/26/82/99/598268299.db2.gz AWZYOUHTXZASGB-UHFFFAOYSA-N -1 3 378.480 3.725 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735921949 598268301 /nfs/dbraw/zinc/26/83/01/598268301.db2.gz AWZYOUHTXZASGB-UHFFFAOYSA-N -1 3 378.480 3.725 20 0 GHADHM C[C@@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736140192 598273419 /nfs/dbraw/zinc/27/34/19/598273419.db2.gz ZQAZSQAVAITOMN-SECBINFHSA-N -1 3 392.797 3.897 20 0 GHADHM C[C@@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736140192 598273420 /nfs/dbraw/zinc/27/34/20/598273420.db2.gz ZQAZSQAVAITOMN-SECBINFHSA-N -1 3 392.797 3.897 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000735661039 598278539 /nfs/dbraw/zinc/27/85/39/598278539.db2.gz PYVWLTYRDGNKTK-MRXNPFEDSA-N -1 3 385.516 4.000 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000735661039 598278540 /nfs/dbraw/zinc/27/85/40/598278540.db2.gz PYVWLTYRDGNKTK-MRXNPFEDSA-N -1 3 385.516 4.000 20 0 GHADHM O=C(COc1ccc(OC2CCCCC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737921828 598283817 /nfs/dbraw/zinc/28/38/17/598283817.db2.gz ZQPUUYGDFDVNKD-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM O=C(COc1ccc(OC2CCCCC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737921828 598283819 /nfs/dbraw/zinc/28/38/19/598283819.db2.gz ZQPUUYGDFDVNKD-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736654461 598284919 /nfs/dbraw/zinc/28/49/19/598284919.db2.gz UMHHHOMQZOHOBE-SFHVURJKSA-N -1 3 394.479 3.558 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736654461 598284920 /nfs/dbraw/zinc/28/49/20/598284920.db2.gz UMHHHOMQZOHOBE-SFHVURJKSA-N -1 3 394.479 3.558 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000736480925 598292316 /nfs/dbraw/zinc/29/23/16/598292316.db2.gz PFGJOXGGLMQMQD-UHFFFAOYSA-N -1 3 393.476 3.921 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2scnc2c1 ZINC000736480925 598292317 /nfs/dbraw/zinc/29/23/17/598292317.db2.gz PFGJOXGGLMQMQD-UHFFFAOYSA-N -1 3 393.476 3.921 20 0 GHADHM CCC(CC)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736345093 598294211 /nfs/dbraw/zinc/29/42/11/598294211.db2.gz FHZOHPAAQVUKAY-UHFFFAOYSA-N -1 3 396.470 3.906 20 0 GHADHM CCC(CC)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736345093 598294213 /nfs/dbraw/zinc/29/42/13/598294213.db2.gz FHZOHPAAQVUKAY-UHFFFAOYSA-N -1 3 396.470 3.906 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000736361749 598319467 /nfs/dbraw/zinc/31/94/67/598319467.db2.gz GUMQVNWSOGMZHC-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736361749 598319469 /nfs/dbraw/zinc/31/94/69/598319469.db2.gz GUMQVNWSOGMZHC-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM Cc1ccc(CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)o1 ZINC000737336482 598320855 /nfs/dbraw/zinc/32/08/55/598320855.db2.gz FOGVGYWXFGPWRC-UHFFFAOYSA-N -1 3 388.884 3.783 20 0 GHADHM Cc1ccc(CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)o1 ZINC000737336482 598320857 /nfs/dbraw/zinc/32/08/57/598320857.db2.gz FOGVGYWXFGPWRC-UHFFFAOYSA-N -1 3 388.884 3.783 20 0 GHADHM S=C(NCc1cc2ccccc2o1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400229 598321331 /nfs/dbraw/zinc/32/13/31/598321331.db2.gz BGKZOWUXAKRXQX-UHFFFAOYSA-N -1 3 384.852 3.753 20 0 GHADHM S=C(NCc1cc2ccccc2o1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400229 598321334 /nfs/dbraw/zinc/32/13/34/598321334.db2.gz BGKZOWUXAKRXQX-UHFFFAOYSA-N -1 3 384.852 3.753 20 0 GHADHM Cc1cc(C)c(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000737247536 598324250 /nfs/dbraw/zinc/32/42/50/598324250.db2.gz XFIPSAPHIPRHHL-UHFFFAOYSA-N -1 3 386.912 3.932 20 0 GHADHM Cc1cc(C)c(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000737247536 598324252 /nfs/dbraw/zinc/32/42/52/598324252.db2.gz XFIPSAPHIPRHHL-UHFFFAOYSA-N -1 3 386.912 3.932 20 0 GHADHM Fc1cccc([C@H]2C[C@@H]2NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737664937 598324281 /nfs/dbraw/zinc/32/42/81/598324281.db2.gz GNCCDJJEFUFFHK-HIFRSBDPSA-N -1 3 388.859 3.502 20 0 GHADHM Fc1cccc([C@H]2C[C@@H]2NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737664937 598324283 /nfs/dbraw/zinc/32/42/83/598324283.db2.gz GNCCDJJEFUFFHK-HIFRSBDPSA-N -1 3 388.859 3.502 20 0 GHADHM Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737399831 598324342 /nfs/dbraw/zinc/32/43/42/598324342.db2.gz MQTZKAOFANULDT-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737399831 598324343 /nfs/dbraw/zinc/32/43/43/598324343.db2.gz MQTZKAOFANULDT-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736256514 598325873 /nfs/dbraw/zinc/32/58/73/598325873.db2.gz YTDRJRCAEKDSDV-GLJUWKHASA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736256514 598325874 /nfs/dbraw/zinc/32/58/74/598325874.db2.gz YTDRJRCAEKDSDV-GLJUWKHASA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736271859 598327634 /nfs/dbraw/zinc/32/76/34/598327634.db2.gz OWCXMNGYBBCLEY-ZBFHGGJFSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736271859 598327636 /nfs/dbraw/zinc/32/76/36/598327636.db2.gz OWCXMNGYBBCLEY-ZBFHGGJFSA-N -1 3 395.463 3.595 20 0 GHADHM CCN(C(=O)c1csc(C(C)(C)C)n1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509327 598327657 /nfs/dbraw/zinc/32/76/57/598327657.db2.gz UVOWGFHCLWHPFC-LBPRGKRZSA-N -1 3 384.509 3.844 20 0 GHADHM CCN(C(=O)c1csc(C(C)(C)C)n1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509327 598327659 /nfs/dbraw/zinc/32/76/59/598327659.db2.gz UVOWGFHCLWHPFC-LBPRGKRZSA-N -1 3 384.509 3.844 20 0 GHADHM O=C(NCCC1CCCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738056935 598328132 /nfs/dbraw/zinc/32/81/32/598328132.db2.gz XNSVPRJEMVSWJB-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM O=C(NCCC1CCCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738056935 598328134 /nfs/dbraw/zinc/32/81/34/598328134.db2.gz XNSVPRJEMVSWJB-UHFFFAOYSA-N -1 3 395.463 3.739 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1CCCc2sccc21 ZINC000823387838 607350302 /nfs/dbraw/zinc/35/03/02/607350302.db2.gz ZWJPMMZPDWIGGN-LLVKDONJSA-N -1 3 385.518 3.927 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1CCCc2sccc21 ZINC000823387838 607350304 /nfs/dbraw/zinc/35/03/04/607350304.db2.gz ZWJPMMZPDWIGGN-LLVKDONJSA-N -1 3 385.518 3.927 20 0 GHADHM O=C(OCc1cccc(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738233893 598361081 /nfs/dbraw/zinc/36/10/81/598361081.db2.gz WMURIYZISCBTNZ-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM O=C(OCc1cccc(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738233893 598361083 /nfs/dbraw/zinc/36/10/83/598361083.db2.gz WMURIYZISCBTNZ-UHFFFAOYSA-N -1 3 394.362 3.535 20 0 GHADHM C[C@@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735974433 598364686 /nfs/dbraw/zinc/36/46/86/598364686.db2.gz HJJRRLGTGYVJRP-AWEZNQCLSA-N -1 3 399.495 3.549 20 0 GHADHM C[C@@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735974433 598364688 /nfs/dbraw/zinc/36/46/88/598364688.db2.gz HJJRRLGTGYVJRP-AWEZNQCLSA-N -1 3 399.495 3.549 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000736815250 598379881 /nfs/dbraw/zinc/37/98/81/598379881.db2.gz XQJIXGRPJFHEBP-FQEVSTJZSA-N -1 3 391.475 3.526 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000736815250 598379882 /nfs/dbraw/zinc/37/98/82/598379882.db2.gz XQJIXGRPJFHEBP-FQEVSTJZSA-N -1 3 391.475 3.526 20 0 GHADHM CCOc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(F)F ZINC000736625752 598390940 /nfs/dbraw/zinc/39/09/40/598390940.db2.gz OPRSOECTLGJFBD-UHFFFAOYSA-N -1 3 396.785 3.527 20 0 GHADHM CCOc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(F)F ZINC000736625752 598390942 /nfs/dbraw/zinc/39/09/42/598390942.db2.gz OPRSOECTLGJFBD-UHFFFAOYSA-N -1 3 396.785 3.527 20 0 GHADHM O=C(Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1)C1CCCC1 ZINC000738185567 598391897 /nfs/dbraw/zinc/39/18/97/598391897.db2.gz ZORFMVFBHOHQOH-UHFFFAOYSA-N -1 3 397.870 3.656 20 0 GHADHM O=C(Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1)C1CCCC1 ZINC000738185567 598391899 /nfs/dbraw/zinc/39/18/99/598391899.db2.gz ZORFMVFBHOHQOH-UHFFFAOYSA-N -1 3 397.870 3.656 20 0 GHADHM Clc1ccc2sc(CNc3ncc(-c4nnn[n-]4)cc3Cl)nc2c1 ZINC000737573266 598392703 /nfs/dbraw/zinc/39/27/03/598392703.db2.gz DZVOJZMRKWHLMV-UHFFFAOYSA-N -1 3 378.248 3.790 20 0 GHADHM Clc1ccc2sc(CNc3ncc(-c4nn[n-]n4)cc3Cl)nc2c1 ZINC000737573266 598392705 /nfs/dbraw/zinc/39/27/05/598392705.db2.gz DZVOJZMRKWHLMV-UHFFFAOYSA-N -1 3 378.248 3.790 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125290 598396019 /nfs/dbraw/zinc/39/60/19/598396019.db2.gz AIUFFVXIVLWKOR-VQTJNVASSA-N -1 3 391.475 3.668 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125290 598396020 /nfs/dbraw/zinc/39/60/20/598396020.db2.gz AIUFFVXIVLWKOR-VQTJNVASSA-N -1 3 391.475 3.668 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2ccccc2[C@H]1C ZINC000735907171 598413198 /nfs/dbraw/zinc/41/31/98/598413198.db2.gz XUGHHPQAOUCTPM-CQSZACIVSA-N -1 3 392.463 3.805 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2ccccc2[C@H]1C ZINC000735907171 598413199 /nfs/dbraw/zinc/41/31/99/598413199.db2.gz XUGHHPQAOUCTPM-CQSZACIVSA-N -1 3 392.463 3.805 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2o1 ZINC000736194196 598416833 /nfs/dbraw/zinc/41/68/33/598416833.db2.gz XLZWSZZMEHBYEP-STQMWFEESA-N -1 3 393.472 3.971 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000736194196 598416834 /nfs/dbraw/zinc/41/68/34/598416834.db2.gz XLZWSZZMEHBYEP-STQMWFEESA-N -1 3 393.472 3.971 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000737955860 598416868 /nfs/dbraw/zinc/41/68/68/598416868.db2.gz NMCMUYKXTPVWDI-OAHLLOKOSA-N -1 3 396.756 3.909 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000737955860 598416870 /nfs/dbraw/zinc/41/68/70/598416870.db2.gz NMCMUYKXTPVWDI-OAHLLOKOSA-N -1 3 396.756 3.909 20 0 GHADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738214307 598417046 /nfs/dbraw/zinc/41/70/46/598417046.db2.gz KYZQGIKSOUUIMH-ZDUSSCGKSA-N -1 3 382.729 3.981 20 0 GHADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738214307 598417047 /nfs/dbraw/zinc/41/70/47/598417047.db2.gz KYZQGIKSOUUIMH-ZDUSSCGKSA-N -1 3 382.729 3.981 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735837604 598422002 /nfs/dbraw/zinc/42/20/02/598422002.db2.gz KIYQRDKQNOUQLM-UHFFFAOYSA-N -1 3 379.464 3.567 20 0 GHADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735837604 598422004 /nfs/dbraw/zinc/42/20/04/598422004.db2.gz KIYQRDKQNOUQLM-UHFFFAOYSA-N -1 3 379.464 3.567 20 0 GHADHM C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000737196410 598422554 /nfs/dbraw/zinc/42/25/54/598422554.db2.gz HNMSNBWDDZTHSQ-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000737196410 598422556 /nfs/dbraw/zinc/42/25/56/598422556.db2.gz HNMSNBWDDZTHSQ-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736452194 598424209 /nfs/dbraw/zinc/42/42/09/598424209.db2.gz BVQBGSYFYWFVJF-UHFFFAOYSA-N -1 3 378.480 3.674 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736452194 598424211 /nfs/dbraw/zinc/42/42/11/598424211.db2.gz BVQBGSYFYWFVJF-UHFFFAOYSA-N -1 3 378.480 3.674 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000735734679 598425545 /nfs/dbraw/zinc/42/55/45/598425545.db2.gz JJHTWROIVUIOFB-QGZVFWFLSA-N -1 3 386.452 3.866 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735734679 598425546 /nfs/dbraw/zinc/42/55/46/598425546.db2.gz JJHTWROIVUIOFB-QGZVFWFLSA-N -1 3 386.452 3.866 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2s1 ZINC000736115950 598432745 /nfs/dbraw/zinc/43/27/45/598432745.db2.gz BQWFGOWHFDTJQX-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2s1 ZINC000736115950 598432747 /nfs/dbraw/zinc/43/27/47/598432747.db2.gz BQWFGOWHFDTJQX-NSHDSACASA-N -1 3 396.451 3.781 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)cc1C ZINC000737244676 598437196 /nfs/dbraw/zinc/43/71/96/598437196.db2.gz JQTRSFPRMJHRGJ-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)cc1C ZINC000737244676 598437197 /nfs/dbraw/zinc/43/71/97/598437197.db2.gz JQTRSFPRMJHRGJ-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000737072592 598437208 /nfs/dbraw/zinc/43/72/08/598437208.db2.gz NGMKLGALTMETPF-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000737072592 598437209 /nfs/dbraw/zinc/43/72/09/598437209.db2.gz NGMKLGALTMETPF-NSHDSACASA-N -1 3 383.477 3.558 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737416446 598443098 /nfs/dbraw/zinc/44/30/98/598443098.db2.gz AEQZQFJLUVQXOM-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737416446 598443100 /nfs/dbraw/zinc/44/31/00/598443100.db2.gz AEQZQFJLUVQXOM-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C(c1ccccc1)c1ccccc1 ZINC000736506380 598443293 /nfs/dbraw/zinc/44/32/93/598443293.db2.gz WJIAVNJFZPXUPW-UHFFFAOYSA-N -1 3 384.443 3.513 20 0 GHADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C(c1ccccc1)c1ccccc1 ZINC000736506380 598443294 /nfs/dbraw/zinc/44/32/94/598443294.db2.gz WJIAVNJFZPXUPW-UHFFFAOYSA-N -1 3 384.443 3.513 20 0 GHADHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc(C)c1OC(F)F ZINC000737228449 598451148 /nfs/dbraw/zinc/45/11/48/598451148.db2.gz ZUHSIJYNKROACI-UHFFFAOYSA-N -1 3 391.353 3.501 20 0 GHADHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc(C)c1OC(F)F ZINC000737228449 598451150 /nfs/dbraw/zinc/45/11/50/598451150.db2.gz ZUHSIJYNKROACI-UHFFFAOYSA-N -1 3 391.353 3.501 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737996568 598454323 /nfs/dbraw/zinc/45/43/23/598454323.db2.gz GDWCRHLWIRYEBZ-QGZVFWFLSA-N -1 3 382.855 3.576 20 0 GHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737996568 598454324 /nfs/dbraw/zinc/45/43/24/598454324.db2.gz GDWCRHLWIRYEBZ-QGZVFWFLSA-N -1 3 382.855 3.576 20 0 GHADHM CCCN(Cc1nc2cc(F)ccc2n1CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736482213 598460429 /nfs/dbraw/zinc/46/04/29/598460429.db2.gz XWGURODIVFNDLL-UHFFFAOYSA-N -1 3 393.470 3.788 20 0 GHADHM COc1ccc(Cl)c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737098655 598477223 /nfs/dbraw/zinc/47/72/23/598477223.db2.gz WVOGTBRKEMJZIM-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1ccc(Cl)c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737098655 598477225 /nfs/dbraw/zinc/47/72/25/598477225.db2.gz WVOGTBRKEMJZIM-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@](C)(CC)c1ccccc1 ZINC000736637033 598483939 /nfs/dbraw/zinc/48/39/39/598483939.db2.gz NSZHCAYIGUWLTK-FQEVSTJZSA-N -1 3 380.452 3.712 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@](C)(CC)c1ccccc1 ZINC000736637033 598483940 /nfs/dbraw/zinc/48/39/40/598483940.db2.gz NSZHCAYIGUWLTK-FQEVSTJZSA-N -1 3 380.452 3.712 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000735656536 598487923 /nfs/dbraw/zinc/48/79/23/598487923.db2.gz ZSXNKIDVVVETPU-LSDHHAIUSA-N -1 3 384.871 3.819 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000735656536 598487925 /nfs/dbraw/zinc/48/79/25/598487925.db2.gz ZSXNKIDVVVETPU-LSDHHAIUSA-N -1 3 384.871 3.819 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1Cl ZINC000737337082 598490455 /nfs/dbraw/zinc/49/04/55/598490455.db2.gz DENJJHLVGDKUNX-UHFFFAOYSA-N -1 3 386.887 3.956 20 0 GHADHM Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1Cl ZINC000737337082 598490456 /nfs/dbraw/zinc/49/04/56/598490456.db2.gz DENJJHLVGDKUNX-UHFFFAOYSA-N -1 3 386.887 3.956 20 0 GHADHM Clc1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737565748 598507068 /nfs/dbraw/zinc/50/70/68/598507068.db2.gz PXFWVQLXXXCOKO-INIZCTEOSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737565748 598507071 /nfs/dbraw/zinc/50/70/71/598507071.db2.gz PXFWVQLXXXCOKO-INIZCTEOSA-N -1 3 383.839 3.633 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250500 598514691 /nfs/dbraw/zinc/51/46/91/598514691.db2.gz HOGCSQJCXNTJCD-CHWSQXEVSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250500 598514694 /nfs/dbraw/zinc/51/46/94/598514694.db2.gz HOGCSQJCXNTJCD-CHWSQXEVSA-N -1 3 375.215 3.883 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCc3c2cccc3Br)n1 ZINC000737244269 598523485 /nfs/dbraw/zinc/52/34/85/598523485.db2.gz DOGBNZMRZZRYKD-AWEZNQCLSA-N -1 3 385.269 3.740 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CCc3c2cccc3Br)n1 ZINC000737244269 598523486 /nfs/dbraw/zinc/52/34/86/598523486.db2.gz DOGBNZMRZZRYKD-AWEZNQCLSA-N -1 3 385.269 3.740 20 0 GHADHM COc1cccc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCCC2)c1 ZINC000737130250 598533435 /nfs/dbraw/zinc/53/34/35/598533435.db2.gz UXKLWOKCGQQSSG-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM COc1cccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCCC2)c1 ZINC000737130250 598533437 /nfs/dbraw/zinc/53/34/37/598533437.db2.gz UXKLWOKCGQQSSG-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737850238 598534817 /nfs/dbraw/zinc/53/48/17/598534817.db2.gz OKMZKDNLSUGIAF-UHFFFAOYSA-N -1 3 382.474 3.597 20 0 GHADHM O=C(CCSc1nc2ccccc2s1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737850238 598534819 /nfs/dbraw/zinc/53/48/19/598534819.db2.gz OKMZKDNLSUGIAF-UHFFFAOYSA-N -1 3 382.474 3.597 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)s1 ZINC000735495637 598535527 /nfs/dbraw/zinc/53/55/27/598535527.db2.gz LZHAKFNTEVZEFR-MRVPVSSYSA-N -1 3 387.490 3.569 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)s1 ZINC000735495637 598535529 /nfs/dbraw/zinc/53/55/29/598535529.db2.gz LZHAKFNTEVZEFR-MRVPVSSYSA-N -1 3 387.490 3.569 20 0 GHADHM Cc1ncsc1CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000737502033 598538059 /nfs/dbraw/zinc/53/80/59/598538059.db2.gz DQINSKXMVYLMHF-UHFFFAOYSA-N -1 3 389.847 3.609 20 0 GHADHM Cc1ncsc1CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000737502033 598538061 /nfs/dbraw/zinc/53/80/61/598538061.db2.gz DQINSKXMVYLMHF-UHFFFAOYSA-N -1 3 389.847 3.609 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737399534 598538053 /nfs/dbraw/zinc/53/80/53/598538053.db2.gz LGXKWAOLPBYCOS-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM CC(C)CCC[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735798379 598538473 /nfs/dbraw/zinc/53/84/73/598538473.db2.gz WFSICYUGAFLPNG-HNNXBMFYSA-N -1 3 397.479 3.983 20 0 GHADHM CC(C)CCN1Cc2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2C1 ZINC000735811725 598541898 /nfs/dbraw/zinc/54/18/98/598541898.db2.gz RYYSAWYZEVUPIJ-UHFFFAOYSA-N -1 3 382.493 3.542 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737794014 598545900 /nfs/dbraw/zinc/54/59/00/598545900.db2.gz ARCZXGWQOZYMTE-ZZXKWVIFSA-N -1 3 397.794 3.835 20 0 GHADHM O=C(C=Cc1ccc(Cl)s1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737794014 598545901 /nfs/dbraw/zinc/54/59/01/598545901.db2.gz ARCZXGWQOZYMTE-ZZXKWVIFSA-N -1 3 397.794 3.835 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)c1ccccc1F ZINC000735830172 598552571 /nfs/dbraw/zinc/55/25/71/598552571.db2.gz SXIFPIUZRZLEKH-HNNXBMFYSA-N -1 3 381.455 3.794 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)c1ccccc1F ZINC000735830172 598552573 /nfs/dbraw/zinc/55/25/73/598552573.db2.gz SXIFPIUZRZLEKH-HNNXBMFYSA-N -1 3 381.455 3.794 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OCC(C)C ZINC000736634532 598552926 /nfs/dbraw/zinc/55/29/26/598552926.db2.gz KBMJHODNSABPLW-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OCC(C)C ZINC000736634532 598552927 /nfs/dbraw/zinc/55/29/27/598552927.db2.gz KBMJHODNSABPLW-UHFFFAOYSA-N -1 3 381.436 3.553 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737182186 598553641 /nfs/dbraw/zinc/55/36/41/598553641.db2.gz YDLDCWOWRTUICJ-CYBMUJFWSA-N -1 3 383.477 3.905 20 0 GHADHM CSC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737182186 598553643 /nfs/dbraw/zinc/55/36/43/598553643.db2.gz YDLDCWOWRTUICJ-CYBMUJFWSA-N -1 3 383.477 3.905 20 0 GHADHM CCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736487433 598558717 /nfs/dbraw/zinc/55/87/17/598558717.db2.gz GSHGSELNFLQHQE-UHFFFAOYSA-N -1 3 386.843 3.631 20 0 GHADHM CCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736487433 598558718 /nfs/dbraw/zinc/55/87/18/598558718.db2.gz GSHGSELNFLQHQE-UHFFFAOYSA-N -1 3 386.843 3.631 20 0 GHADHM O=C(Nc1cc(F)ccc1Cl)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738145563 598559810 /nfs/dbraw/zinc/55/98/10/598559810.db2.gz SZZFNWNPHMWICD-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1cc(F)ccc1Cl)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738145563 598559811 /nfs/dbraw/zinc/55/98/11/598559811.db2.gz SZZFNWNPHMWICD-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736115659 598561618 /nfs/dbraw/zinc/56/16/18/598561618.db2.gz YYMRVNLXPDMXQM-LSDHHAIUSA-N -1 3 378.480 3.593 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736115659 598561621 /nfs/dbraw/zinc/56/16/21/598561621.db2.gz YYMRVNLXPDMXQM-LSDHHAIUSA-N -1 3 378.480 3.593 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737320526 598562272 /nfs/dbraw/zinc/56/22/72/598562272.db2.gz MEVKIMKLQYXULN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737320526 598562274 /nfs/dbraw/zinc/56/22/74/598562274.db2.gz MEVKIMKLQYXULN-LLVKDONJSA-N -1 3 388.378 3.659 20 0 GHADHM O=C(CNc1ccccc1SC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737899146 598568387 /nfs/dbraw/zinc/56/83/87/598568387.db2.gz BSRBFTRISKJGQC-UHFFFAOYSA-N -1 3 394.382 3.529 20 0 GHADHM O=C(CNc1ccccc1SC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737899146 598568389 /nfs/dbraw/zinc/56/83/89/598568389.db2.gz BSRBFTRISKJGQC-UHFFFAOYSA-N -1 3 394.382 3.529 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648245 598570094 /nfs/dbraw/zinc/57/00/94/598570094.db2.gz AZDJOMRFDTTWKQ-LJQANCHMSA-N -1 3 390.491 3.772 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2COc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737631004 598572534 /nfs/dbraw/zinc/57/25/34/598572534.db2.gz AYHMBTJVIQGIPF-LLVKDONJSA-N -1 3 375.354 3.549 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2COc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737631004 598572536 /nfs/dbraw/zinc/57/25/36/598572536.db2.gz AYHMBTJVIQGIPF-LLVKDONJSA-N -1 3 375.354 3.549 20 0 GHADHM COc1ccc([C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)cc1 ZINC000737073936 598578990 /nfs/dbraw/zinc/57/89/90/598578990.db2.gz CQRMMEGRCHAYHY-ZDUSSCGKSA-N -1 3 389.381 3.888 20 0 GHADHM COc1ccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)cc1 ZINC000737073936 598578992 /nfs/dbraw/zinc/57/89/92/598578992.db2.gz CQRMMEGRCHAYHY-ZDUSSCGKSA-N -1 3 389.381 3.888 20 0 GHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)Sc1ccc(Br)cc1 ZINC000736026946 598593045 /nfs/dbraw/zinc/59/30/45/598593045.db2.gz SKANOGOPPQJYNX-JTQLQIEISA-N -1 3 391.298 3.617 20 0 GHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)Sc1ccc(Br)cc1 ZINC000736026946 598593047 /nfs/dbraw/zinc/59/30/47/598593047.db2.gz SKANOGOPPQJYNX-JTQLQIEISA-N -1 3 391.298 3.617 20 0 GHADHM CC(C)(C)CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735594857 598593409 /nfs/dbraw/zinc/59/34/09/598593409.db2.gz WOEYNDRLEOFZDL-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM CC(C)(C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735594857 598593412 /nfs/dbraw/zinc/59/34/12/598593412.db2.gz WOEYNDRLEOFZDL-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM O=C(Nc1nc2c(s1)CCC2)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738208840 598619457 /nfs/dbraw/zinc/61/94/57/598619457.db2.gz HWCVCPZCEDCSHJ-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM O=C(Nc1nc2c(s1)CCC2)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738208840 598619458 /nfs/dbraw/zinc/61/94/58/598619458.db2.gz HWCVCPZCEDCSHJ-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000737328295 598625209 /nfs/dbraw/zinc/62/52/09/598625209.db2.gz BABPNYBVVLKEKS-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737328295 598625212 /nfs/dbraw/zinc/62/52/12/598625212.db2.gz BABPNYBVVLKEKS-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM CC(C)(C)/C=C\C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735592583 598625315 /nfs/dbraw/zinc/62/53/15/598625315.db2.gz BRZGCALRPYOAHF-KHPPLWFESA-N -1 3 377.448 3.987 20 0 GHADHM CC(C)(C)/C=C\C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735592583 598625317 /nfs/dbraw/zinc/62/53/17/598625317.db2.gz BRZGCALRPYOAHF-KHPPLWFESA-N -1 3 377.448 3.987 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736831723 598631207 /nfs/dbraw/zinc/63/12/07/598631207.db2.gz RVDXJCNHSRICDB-UHFFFAOYSA-N -1 3 382.424 3.884 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736831723 598631209 /nfs/dbraw/zinc/63/12/09/598631209.db2.gz RVDXJCNHSRICDB-UHFFFAOYSA-N -1 3 382.424 3.884 20 0 GHADHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000104368067 598646490 /nfs/dbraw/zinc/64/64/90/598646490.db2.gz NWEVHDNDFXSXCW-UHFFFAOYSA-N -1 3 382.383 3.783 20 0 GHADHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000104368067 598646491 /nfs/dbraw/zinc/64/64/91/598646491.db2.gz NWEVHDNDFXSXCW-UHFFFAOYSA-N -1 3 382.383 3.783 20 0 GHADHM CCN(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736555077 598648192 /nfs/dbraw/zinc/64/81/92/598648192.db2.gz DCCRSUAADXAOKG-UHFFFAOYSA-N -1 3 385.493 3.526 20 0 GHADHM CCN(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736555077 598648193 /nfs/dbraw/zinc/64/81/93/598648193.db2.gz DCCRSUAADXAOKG-UHFFFAOYSA-N -1 3 385.493 3.526 20 0 GHADHM Cc1cccc2c1N(C(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000737407665 598648452 /nfs/dbraw/zinc/64/84/52/598648452.db2.gz CAKMIPNKKHFXRJ-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM Cc1cccc2c1N(C(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000737407665 598648454 /nfs/dbraw/zinc/64/84/54/598648454.db2.gz CAKMIPNKKHFXRJ-UHFFFAOYSA-N -1 3 391.475 3.704 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737393882 598651112 /nfs/dbraw/zinc/65/11/12/598651112.db2.gz OCHJRRKHKZLCGJ-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737393882 598651114 /nfs/dbraw/zinc/65/11/14/598651114.db2.gz OCHJRRKHKZLCGJ-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000736647702 598654980 /nfs/dbraw/zinc/65/49/80/598654980.db2.gz SINDRIOOKYUZIY-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000736647702 598654981 /nfs/dbraw/zinc/65/49/81/598654981.db2.gz SINDRIOOKYUZIY-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736436709 598657593 /nfs/dbraw/zinc/65/75/93/598657593.db2.gz SJZIUXPOEOVOAH-VQIMIIECSA-N -1 3 385.512 3.891 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736436709 598657595 /nfs/dbraw/zinc/65/75/95/598657595.db2.gz SJZIUXPOEOVOAH-VQIMIIECSA-N -1 3 385.512 3.891 20 0 GHADHM O=C(N[C@H]1COc2ccccc21)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738035065 598657707 /nfs/dbraw/zinc/65/77/07/598657707.db2.gz ISQPHGBKEIJLHR-IBGZPJMESA-N -1 3 399.410 3.523 20 0 GHADHM O=C(N[C@H]1COc2ccccc21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738035065 598657709 /nfs/dbraw/zinc/65/77/09/598657709.db2.gz ISQPHGBKEIJLHR-IBGZPJMESA-N -1 3 399.410 3.523 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000738152068 598660680 /nfs/dbraw/zinc/66/06/80/598660680.db2.gz REEFHRQDPJSOHE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000738152068 598660681 /nfs/dbraw/zinc/66/06/81/598660681.db2.gz REEFHRQDPJSOHE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736301728 598664790 /nfs/dbraw/zinc/66/47/90/598664790.db2.gz DKHYYOIRLVJQHU-MRXNPFEDSA-N -1 3 391.475 3.562 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736301728 598664791 /nfs/dbraw/zinc/66/47/91/598664791.db2.gz DKHYYOIRLVJQHU-MRXNPFEDSA-N -1 3 391.475 3.562 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC(F)F ZINC000737090302 598669939 /nfs/dbraw/zinc/66/99/39/598669939.db2.gz MHFWCHPOPWCGQF-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC(F)F ZINC000737090302 598669941 /nfs/dbraw/zinc/66/99/41/598669941.db2.gz MHFWCHPOPWCGQF-UHFFFAOYSA-N -1 3 395.797 3.785 20 0 GHADHM CCc1noc(-c2ccc(CCNc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2)n1 ZINC000736711538 598670604 /nfs/dbraw/zinc/67/06/04/598670604.db2.gz ZRFCYIMEJJSCDJ-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM CCc1noc(-c2ccc(CCNc3ccc(-c4nn[n-]n4)c(Cl)c3)cc2)n1 ZINC000736711538 598670605 /nfs/dbraw/zinc/67/06/05/598670605.db2.gz ZRFCYIMEJJSCDJ-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000737562933 598673022 /nfs/dbraw/zinc/67/30/22/598673022.db2.gz ANMQNVNPDUELSU-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000737562933 598673023 /nfs/dbraw/zinc/67/30/23/598673023.db2.gz ANMQNVNPDUELSU-MRXNPFEDSA-N -1 3 376.247 3.751 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737426495 598696462 /nfs/dbraw/zinc/69/64/62/598696462.db2.gz MXHWEDBAKHOJNY-CQSZACIVSA-N -1 3 399.495 3.595 20 0 GHADHM Cc1ccccc1CN(C)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737426495 598696464 /nfs/dbraw/zinc/69/64/64/598696464.db2.gz MXHWEDBAKHOJNY-CQSZACIVSA-N -1 3 399.495 3.595 20 0 GHADHM CCN(C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736503000 598697008 /nfs/dbraw/zinc/69/70/08/598697008.db2.gz RWJQTDHMSMYXMI-CYBMUJFWSA-N -1 3 391.516 3.809 20 0 GHADHM CCN(C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736503000 598697010 /nfs/dbraw/zinc/69/70/10/598697010.db2.gz RWJQTDHMSMYXMI-CYBMUJFWSA-N -1 3 391.516 3.809 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000736194313 598698088 /nfs/dbraw/zinc/69/80/88/598698088.db2.gz ZTVSVDGMNWZNCH-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000736194313 598698089 /nfs/dbraw/zinc/69/80/89/598698089.db2.gz ZTVSVDGMNWZNCH-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000737936136 598698502 /nfs/dbraw/zinc/69/85/02/598698502.db2.gz KWSSBRYSBMJHHI-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(CSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000737936136 598698503 /nfs/dbraw/zinc/69/85/03/598698503.db2.gz KWSSBRYSBMJHHI-UHFFFAOYSA-N -1 3 377.832 3.531 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000738171107 598701345 /nfs/dbraw/zinc/70/13/45/598701345.db2.gz BDFPNWAKKYTIEH-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000738171107 598701346 /nfs/dbraw/zinc/70/13/46/598701346.db2.gz BDFPNWAKKYTIEH-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737808748 598712903 /nfs/dbraw/zinc/71/29/03/598712903.db2.gz RBMZCPARZGRNJO-HNNXBMFYSA-N -1 3 376.338 3.646 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737808748 598712905 /nfs/dbraw/zinc/71/29/05/598712905.db2.gz RBMZCPARZGRNJO-HNNXBMFYSA-N -1 3 376.338 3.646 20 0 GHADHM Cc1sc2nc([C@@H](C)Sc3ccc(-c4nnn[n-]4)cc3)nc(N)c2c1C ZINC000737563542 598719748 /nfs/dbraw/zinc/71/97/48/598719748.db2.gz NBTPWEKZMUVEIB-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc([C@@H](C)Sc3ccc(-c4nn[n-]n4)cc3)nc(N)c2c1C ZINC000737563542 598719749 /nfs/dbraw/zinc/71/97/49/598719749.db2.gz NBTPWEKZMUVEIB-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Brc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000735369433 598722133 /nfs/dbraw/zinc/72/21/33/598722133.db2.gz UJWDUSHTSYEMKY-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM Brc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000735369433 598722136 /nfs/dbraw/zinc/72/21/36/598722136.db2.gz UJWDUSHTSYEMKY-UHFFFAOYSA-N -1 3 387.266 3.603 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000736478812 598736262 /nfs/dbraw/zinc/73/62/62/598736262.db2.gz DJLHDNSHEWAVAA-UHFFFAOYSA-N -1 3 394.460 3.636 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000736478812 598736263 /nfs/dbraw/zinc/73/62/63/598736263.db2.gz DJLHDNSHEWAVAA-UHFFFAOYSA-N -1 3 394.460 3.636 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccco2)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507554 598736265 /nfs/dbraw/zinc/73/62/65/598736265.db2.gz FLMXNDPNNTVJNZ-LBPRGKRZSA-N -1 3 394.460 3.807 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccco2)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507554 598736266 /nfs/dbraw/zinc/73/62/66/598736266.db2.gz FLMXNDPNNTVJNZ-LBPRGKRZSA-N -1 3 394.460 3.807 20 0 GHADHM CC(C)c1ccsc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735933515 598745378 /nfs/dbraw/zinc/74/53/78/598745378.db2.gz XWBLPXITFPNOPZ-UHFFFAOYSA-N -1 3 397.504 3.735 20 0 GHADHM CC(C)N(C(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000736162930 598753854 /nfs/dbraw/zinc/75/38/54/598753854.db2.gz FRMNIDADDVIDKM-MRXNPFEDSA-N -1 3 393.491 3.946 20 0 GHADHM CC(C)N(C(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000736162930 598753856 /nfs/dbraw/zinc/75/38/56/598753856.db2.gz FRMNIDADDVIDKM-MRXNPFEDSA-N -1 3 393.491 3.946 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736174223 598755757 /nfs/dbraw/zinc/75/57/57/598755757.db2.gz LZZVMOUVDVFQHF-ZETCQYMHSA-N -1 3 384.248 3.641 20 0 GHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736174223 598755758 /nfs/dbraw/zinc/75/57/58/598755758.db2.gz LZZVMOUVDVFQHF-ZETCQYMHSA-N -1 3 384.248 3.641 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736535306 598760381 /nfs/dbraw/zinc/76/03/81/598760381.db2.gz SUKSZZMZSYAMRR-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736535306 598760384 /nfs/dbraw/zinc/76/03/84/598760384.db2.gz SUKSZZMZSYAMRR-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737419863 598764694 /nfs/dbraw/zinc/76/46/94/598764694.db2.gz FWOKVGUQNPRESL-VQIMIIECSA-N -1 3 393.491 3.846 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737419863 598764696 /nfs/dbraw/zinc/76/46/96/598764696.db2.gz FWOKVGUQNPRESL-VQIMIIECSA-N -1 3 393.491 3.846 20 0 GHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737665726 598772394 /nfs/dbraw/zinc/77/23/94/598772394.db2.gz IPMASRIDPVEELQ-INIZCTEOSA-N -1 3 382.349 3.932 20 0 GHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737665726 598772395 /nfs/dbraw/zinc/77/23/95/598772395.db2.gz IPMASRIDPVEELQ-INIZCTEOSA-N -1 3 382.349 3.932 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C1CCSCC1 ZINC000738171182 598792102 /nfs/dbraw/zinc/79/21/02/598792102.db2.gz FJEAMOMMIJHRKI-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C1CCSCC1 ZINC000738171182 598792103 /nfs/dbraw/zinc/79/21/03/598792103.db2.gz FJEAMOMMIJHRKI-UHFFFAOYSA-N -1 3 395.488 3.527 20 0 GHADHM Fc1ccc(OC2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737655691 598793461 /nfs/dbraw/zinc/79/34/61/598793461.db2.gz CUKGWNBSDACQJY-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM Fc1ccc(OC2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737655691 598793462 /nfs/dbraw/zinc/79/34/62/598793462.db2.gz CUKGWNBSDACQJY-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM Cc1nccn1-c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000737502998 598795030 /nfs/dbraw/zinc/79/50/30/598795030.db2.gz QCAPKLLGIOSPBP-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1nccn1-c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000737502998 598795031 /nfs/dbraw/zinc/79/50/31/598795031.db2.gz QCAPKLLGIOSPBP-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C)c(OCC)c1 ZINC000736478810 598821440 /nfs/dbraw/zinc/82/14/40/598821440.db2.gz DIIGWWVCJUCGDS-UHFFFAOYSA-N -1 3 379.464 3.626 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C)c(OCC)c1 ZINC000736478810 598821441 /nfs/dbraw/zinc/82/14/41/598821441.db2.gz DIIGWWVCJUCGDS-UHFFFAOYSA-N -1 3 379.464 3.626 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1CSc2ccccc21 ZINC000738212696 599293085 /nfs/dbraw/zinc/29/30/85/599293085.db2.gz YQZFMFTYAMFUHW-LBPRGKRZSA-N -1 3 383.502 3.635 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1CSc2ccccc21 ZINC000738212696 599293088 /nfs/dbraw/zinc/29/30/88/599293088.db2.gz YQZFMFTYAMFUHW-LBPRGKRZSA-N -1 3 383.502 3.635 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc(CC)c(C)s1 ZINC000821104709 599297285 /nfs/dbraw/zinc/29/72/85/599297285.db2.gz OCUUBJKOPDXXSF-UHFFFAOYSA-N -1 3 385.497 3.638 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc(CC)c(C)s1 ZINC000821104709 599297286 /nfs/dbraw/zinc/29/72/86/599297286.db2.gz OCUUBJKOPDXXSF-UHFFFAOYSA-N -1 3 385.497 3.638 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735596595 599304972 /nfs/dbraw/zinc/30/49/72/599304972.db2.gz KPCDRSXEOFHVCM-GXFFZTMASA-N -1 3 384.406 3.534 20 0 GHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735596595 599304974 /nfs/dbraw/zinc/30/49/74/599304974.db2.gz KPCDRSXEOFHVCM-GXFFZTMASA-N -1 3 384.406 3.534 20 0 GHADHM O[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738383133 599306252 /nfs/dbraw/zinc/30/62/52/599306252.db2.gz OVARFVHDJPNLTN-ZDUSSCGKSA-N -1 3 386.189 3.597 20 0 GHADHM O[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000738383133 599306256 /nfs/dbraw/zinc/30/62/56/599306256.db2.gz OVARFVHDJPNLTN-ZDUSSCGKSA-N -1 3 386.189 3.597 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000821099417 599313546 /nfs/dbraw/zinc/31/35/46/599313546.db2.gz GYAIKLRTPDOSRX-NFBKMPQASA-N -1 3 387.487 3.509 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000821099417 599313549 /nfs/dbraw/zinc/31/35/49/599313549.db2.gz GYAIKLRTPDOSRX-NFBKMPQASA-N -1 3 387.487 3.509 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690329 599315030 /nfs/dbraw/zinc/31/50/30/599315030.db2.gz JRGVYBYASZDNKE-HOCLYGCPSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690329 599315032 /nfs/dbraw/zinc/31/50/32/599315032.db2.gz JRGVYBYASZDNKE-HOCLYGCPSA-N -1 3 393.447 3.945 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822115747 599323470 /nfs/dbraw/zinc/32/34/70/599323470.db2.gz IFAXKYAFYHDXFV-AWEZNQCLSA-N -1 3 396.470 3.701 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822115747 599323473 /nfs/dbraw/zinc/32/34/73/599323473.db2.gz IFAXKYAFYHDXFV-AWEZNQCLSA-N -1 3 396.470 3.701 20 0 GHADHM C[C@H](SCc1noc(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194190 599326565 /nfs/dbraw/zinc/32/65/65/599326565.db2.gz XKOLDCMXQQECJZ-ZDUSSCGKSA-N -1 3 378.461 3.835 20 0 GHADHM C[C@H](SCc1noc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194190 599326568 /nfs/dbraw/zinc/32/65/68/599326568.db2.gz XKOLDCMXQQECJZ-ZDUSSCGKSA-N -1 3 378.461 3.835 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000736187417 599327382 /nfs/dbraw/zinc/32/73/82/599327382.db2.gz AGLYAWDJIZCPFZ-ZIAGYGMSSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000736187417 599327384 /nfs/dbraw/zinc/32/73/84/599327384.db2.gz AGLYAWDJIZCPFZ-ZIAGYGMSSA-N -1 3 399.495 3.547 20 0 GHADHM COc1ccc(C)cc1NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737078175 599329678 /nfs/dbraw/zinc/32/96/78/599329678.db2.gz VMEDSZLTDXUNIQ-ZDUSSCGKSA-N -1 3 383.477 3.617 20 0 GHADHM COc1ccc(C)cc1NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737078175 599329681 /nfs/dbraw/zinc/32/96/81/599329681.db2.gz VMEDSZLTDXUNIQ-ZDUSSCGKSA-N -1 3 383.477 3.617 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3ccsc3)no2)ccc1-c1nnn[n-]1 ZINC000737632064 599334017 /nfs/dbraw/zinc/33/40/17/599334017.db2.gz JIVMCEFSDUKPMI-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM FC(F)(F)c1cc(NCc2nc(-c3ccsc3)no2)ccc1-c1nn[n-]n1 ZINC000737632064 599334018 /nfs/dbraw/zinc/33/40/18/599334018.db2.gz JIVMCEFSDUKPMI-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cccc(Cl)n2)n1 ZINC000822192006 599342779 /nfs/dbraw/zinc/34/27/79/599342779.db2.gz WQZKFBHRMYKISX-UHFFFAOYSA-N -1 3 386.790 3.930 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820555833 599347380 /nfs/dbraw/zinc/34/73/80/599347380.db2.gz QAFOXGFQWAYYTJ-GXTWGEPZSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820555833 599347382 /nfs/dbraw/zinc/34/73/82/599347382.db2.gz QAFOXGFQWAYYTJ-GXTWGEPZSA-N -1 3 385.518 3.773 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000820211289 599356846 /nfs/dbraw/zinc/35/68/46/599356846.db2.gz GVRZWZVVHSTOGL-GFCCVEGCSA-N -1 3 376.424 3.608 20 0 GHADHM CC(C)c1noc(-c2ccnc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000820211289 599356849 /nfs/dbraw/zinc/35/68/49/599356849.db2.gz GVRZWZVVHSTOGL-GFCCVEGCSA-N -1 3 376.424 3.608 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820777542 599369650 /nfs/dbraw/zinc/36/96/50/599369650.db2.gz SARWRDDLNMLFHH-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820777542 599369653 /nfs/dbraw/zinc/36/96/53/599369653.db2.gz SARWRDDLNMLFHH-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455066 599377707 /nfs/dbraw/zinc/37/77/07/599377707.db2.gz BXDQFHNZBSEMOL-KPOBHBOGSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455066 599377710 /nfs/dbraw/zinc/37/77/10/599377710.db2.gz BXDQFHNZBSEMOL-KPOBHBOGSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735986566 599380071 /nfs/dbraw/zinc/38/00/71/599380071.db2.gz SGWXRWRAAXCRRB-AWEZNQCLSA-N -1 3 394.479 3.999 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735986566 599380073 /nfs/dbraw/zinc/38/00/73/599380073.db2.gz SGWXRWRAAXCRRB-AWEZNQCLSA-N -1 3 394.479 3.999 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737180349 599383270 /nfs/dbraw/zinc/38/32/70/599383270.db2.gz GEIYIODPSYSIGR-CYBMUJFWSA-N -1 3 383.477 3.530 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737180349 599383273 /nfs/dbraw/zinc/38/32/73/599383273.db2.gz GEIYIODPSYSIGR-CYBMUJFWSA-N -1 3 383.477 3.530 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415102 607372021 /nfs/dbraw/zinc/37/20/21/607372021.db2.gz RMTRUJZXANCRKT-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415102 607372022 /nfs/dbraw/zinc/37/20/22/607372022.db2.gz RMTRUJZXANCRKT-UXHICEINSA-N -1 3 398.422 3.550 20 0 GHADHM CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820877019 599386731 /nfs/dbraw/zinc/38/67/31/599386731.db2.gz YEWXOIJLZDUPKT-STQMWFEESA-N -1 3 398.442 3.513 20 0 GHADHM CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820877019 599386734 /nfs/dbraw/zinc/38/67/34/599386734.db2.gz YEWXOIJLZDUPKT-STQMWFEESA-N -1 3 398.442 3.513 20 0 GHADHM CCCCNC(=O)c1ccc(Cl)cc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821071572 599389117 /nfs/dbraw/zinc/38/91/17/599389117.db2.gz JASNYDNERFUIMN-UHFFFAOYSA-N -1 3 385.855 3.629 20 0 GHADHM CCCCNC(=O)c1ccc(Cl)cc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821071572 599389120 /nfs/dbraw/zinc/38/91/20/599389120.db2.gz JASNYDNERFUIMN-UHFFFAOYSA-N -1 3 385.855 3.629 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000822223621 599392458 /nfs/dbraw/zinc/39/24/58/599392458.db2.gz DMLXNEYZXFOBTN-STQMWFEESA-N -1 3 393.426 3.776 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000822223621 599392463 /nfs/dbraw/zinc/39/24/63/599392463.db2.gz DMLXNEYZXFOBTN-STQMWFEESA-N -1 3 393.426 3.776 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000823801831 599405097 /nfs/dbraw/zinc/40/50/97/599405097.db2.gz CLDOQZSVRUHJMI-UHFFFAOYSA-N -1 3 378.417 3.619 20 0 GHADHM c1cc(-c2nn[n-]n2)oc1CNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000823801831 599405099 /nfs/dbraw/zinc/40/50/99/599405099.db2.gz CLDOQZSVRUHJMI-UHFFFAOYSA-N -1 3 378.417 3.619 20 0 GHADHM COc1cc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OC1CCCC1 ZINC000821708682 599406238 /nfs/dbraw/zinc/40/62/38/599406238.db2.gz WCOKRFTULYUAJK-ZDUSSCGKSA-N -1 3 383.452 3.641 20 0 GHADHM Fc1ccc(OC2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737656094 599412893 /nfs/dbraw/zinc/41/28/93/599412893.db2.gz IECNTIHGOLJPCC-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM Fc1ccc(OC2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737656094 599412895 /nfs/dbraw/zinc/41/28/95/599412895.db2.gz IECNTIHGOLJPCC-UHFFFAOYSA-N -1 3 391.809 3.846 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212933 599420301 /nfs/dbraw/zinc/42/03/01/599420301.db2.gz NLHGOJLDHFNIRT-CXAGYDPISA-N -1 3 394.479 3.842 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212933 599420303 /nfs/dbraw/zinc/42/03/03/599420303.db2.gz NLHGOJLDHFNIRT-CXAGYDPISA-N -1 3 394.479 3.842 20 0 GHADHM O=C(COC(=O)C1CCC(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415333 607377024 /nfs/dbraw/zinc/37/70/24/607377024.db2.gz ANEZWBJNIGCIAA-UHFFFAOYSA-N -1 3 390.443 3.567 20 0 GHADHM O=C(COC(=O)C1CCC(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415333 607377026 /nfs/dbraw/zinc/37/70/26/607377026.db2.gz ANEZWBJNIGCIAA-UHFFFAOYSA-N -1 3 390.443 3.567 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738384545 599434646 /nfs/dbraw/zinc/43/46/46/599434646.db2.gz SNFGBEQBFVHPQE-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738384545 599434647 /nfs/dbraw/zinc/43/46/47/599434647.db2.gz SNFGBEQBFVHPQE-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821611950 599458652 /nfs/dbraw/zinc/45/86/52/599458652.db2.gz CDWPEVSSDDGMKR-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821611950 599458655 /nfs/dbraw/zinc/45/86/55/599458655.db2.gz CDWPEVSSDDGMKR-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340612 599473060 /nfs/dbraw/zinc/47/30/60/599473060.db2.gz LTTOVLNJNKWMQJ-CQSZACIVSA-N -1 3 394.454 3.689 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340612 599473062 /nfs/dbraw/zinc/47/30/62/599473062.db2.gz LTTOVLNJNKWMQJ-CQSZACIVSA-N -1 3 394.454 3.689 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822229549 599482484 /nfs/dbraw/zinc/48/24/84/599482484.db2.gz WVLWYSMZWFRNLK-CVEARBPZSA-N -1 3 378.480 3.947 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822229549 599482486 /nfs/dbraw/zinc/48/24/86/599482486.db2.gz WVLWYSMZWFRNLK-CVEARBPZSA-N -1 3 378.480 3.947 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113644 599500559 /nfs/dbraw/zinc/50/05/59/599500559.db2.gz RAIQFOCGWZEXBI-PBHICJAKSA-N -1 3 380.452 3.848 20 0 GHADHM C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113644 599500563 /nfs/dbraw/zinc/50/05/63/599500563.db2.gz RAIQFOCGWZEXBI-PBHICJAKSA-N -1 3 380.452 3.848 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N[C@H]1CC=CCC1 ZINC000738173899 599503060 /nfs/dbraw/zinc/50/30/60/599503060.db2.gz HEAHTCATKUGFGY-AWEZNQCLSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N[C@H]1CC=CCC1 ZINC000738173899 599503062 /nfs/dbraw/zinc/50/30/62/599503062.db2.gz HEAHTCATKUGFGY-AWEZNQCLSA-N -1 3 376.420 3.889 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820881883 599507271 /nfs/dbraw/zinc/50/72/71/599507271.db2.gz DZIZNXGCYHOXRP-CABCVRRESA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820881883 599507274 /nfs/dbraw/zinc/50/72/74/599507274.db2.gz DZIZNXGCYHOXRP-CABCVRRESA-N -1 3 379.464 3.636 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(OC4CCCC4)CC3)c2c1 ZINC000822195462 599508332 /nfs/dbraw/zinc/50/83/32/599508332.db2.gz SGNSGAOUGZAHTR-UHFFFAOYSA-N -1 3 392.507 3.960 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(OC4CCCC4)CC3)c2c1 ZINC000822195462 599508334 /nfs/dbraw/zinc/50/83/34/599508334.db2.gz SGNSGAOUGZAHTR-UHFFFAOYSA-N -1 3 392.507 3.960 20 0 GHADHM C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322685 599511587 /nfs/dbraw/zinc/51/15/87/599511587.db2.gz UDHWZCFHWSDIHC-ZDUSSCGKSA-N -1 3 381.867 3.819 20 0 GHADHM C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322685 599511588 /nfs/dbraw/zinc/51/15/88/599511588.db2.gz UDHWZCFHWSDIHC-ZDUSSCGKSA-N -1 3 381.867 3.819 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000819933645 599512847 /nfs/dbraw/zinc/51/28/47/599512847.db2.gz YGWOQPDENAFVJI-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000819933645 599512849 /nfs/dbraw/zinc/51/28/49/599512849.db2.gz YGWOQPDENAFVJI-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM COc1ccc2sc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000821853883 599517758 /nfs/dbraw/zinc/51/77/58/599517758.db2.gz CDHKZSMXRZPNAR-LBPRGKRZSA-N -1 3 393.472 3.889 20 0 GHADHM COc1ccc2sc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000821853883 599517759 /nfs/dbraw/zinc/51/77/59/599517759.db2.gz CDHKZSMXRZPNAR-LBPRGKRZSA-N -1 3 393.472 3.889 20 0 GHADHM Cc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000737435173 599519577 /nfs/dbraw/zinc/51/95/77/599519577.db2.gz IJGUDIXNRGCFCK-UHFFFAOYSA-N -1 3 388.397 3.521 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820235944 607382190 /nfs/dbraw/zinc/38/21/90/607382190.db2.gz VNKAIZUOJZXFPD-BZNIZROVSA-N -1 3 377.370 3.810 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC(OC2CCCC2)CC1 ZINC000737625602 599522643 /nfs/dbraw/zinc/52/26/43/599522643.db2.gz CMJIQWDANHZTAR-UHFFFAOYSA-N -1 3 381.402 3.814 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@H]3CCc4ccccc4N3)c2c1 ZINC000822753037 599524441 /nfs/dbraw/zinc/52/44/41/599524441.db2.gz AECHEBJNXDKJTE-CYBMUJFWSA-N -1 3 393.401 3.532 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@H]3CCc4ccccc4N3)c2c1 ZINC000822753037 599524442 /nfs/dbraw/zinc/52/44/42/599524442.db2.gz AECHEBJNXDKJTE-CYBMUJFWSA-N -1 3 393.401 3.532 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NC[C@@H]3CCc4ccccc4N3)c2c1 ZINC000822753038 599524833 /nfs/dbraw/zinc/52/48/33/599524833.db2.gz AECHEBJNXDKJTE-ZDUSSCGKSA-N -1 3 393.401 3.532 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NC[C@@H]3CCc4ccccc4N3)c2c1 ZINC000822753038 599524835 /nfs/dbraw/zinc/52/48/35/599524835.db2.gz AECHEBJNXDKJTE-ZDUSSCGKSA-N -1 3 393.401 3.532 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192470 599525232 /nfs/dbraw/zinc/52/52/32/599525232.db2.gz PFZSWXBVHCHQFH-PNHOKKKMSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192470 599525234 /nfs/dbraw/zinc/52/52/34/599525234.db2.gz PFZSWXBVHCHQFH-PNHOKKKMSA-N -1 3 375.476 3.971 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820389897 599526482 /nfs/dbraw/zinc/52/64/82/599526482.db2.gz BEQIMWLAQXEKOL-GFCCVEGCSA-N -1 3 377.379 3.757 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820389897 599526484 /nfs/dbraw/zinc/52/64/84/599526484.db2.gz BEQIMWLAQXEKOL-GFCCVEGCSA-N -1 3 377.379 3.757 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000822585993 599527120 /nfs/dbraw/zinc/52/71/20/599527120.db2.gz QAYFTTMQMIJWIL-OAHLLOKOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000822585993 599527122 /nfs/dbraw/zinc/52/71/22/599527122.db2.gz QAYFTTMQMIJWIL-OAHLLOKOSA-N -1 3 376.247 3.751 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820236221 607382529 /nfs/dbraw/zinc/38/25/29/607382529.db2.gz ZRQNOXHXIQJPBE-QFYYESIMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820236221 607382530 /nfs/dbraw/zinc/38/25/30/607382530.db2.gz ZRQNOXHXIQJPBE-QFYYESIMSA-N -1 3 395.360 3.949 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)nc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820390831 599534119 /nfs/dbraw/zinc/53/41/19/599534119.db2.gz LNZJQYNLXXIREF-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)nc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820390831 599534122 /nfs/dbraw/zinc/53/41/22/599534122.db2.gz LNZJQYNLXXIREF-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736056861 599539434 /nfs/dbraw/zinc/53/94/34/599539434.db2.gz RUARCAWQUJOMQH-LLVKDONJSA-N -1 3 376.338 3.670 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736056861 599539436 /nfs/dbraw/zinc/53/94/36/599539436.db2.gz RUARCAWQUJOMQH-LLVKDONJSA-N -1 3 376.338 3.670 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736056800 599539488 /nfs/dbraw/zinc/53/94/88/599539488.db2.gz QGSUFMKOEOEZCX-VIFPVBQESA-N -1 3 381.383 3.764 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736056800 599539490 /nfs/dbraw/zinc/53/94/90/599539490.db2.gz QGSUFMKOEOEZCX-VIFPVBQESA-N -1 3 381.383 3.764 20 0 GHADHM C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397928 599539651 /nfs/dbraw/zinc/53/96/51/599539651.db2.gz XEFYILUUBQTHCT-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397928 599539652 /nfs/dbraw/zinc/53/96/52/599539652.db2.gz XEFYILUUBQTHCT-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1cccc(-c2nnn[n-]2)c1 ZINC000820397514 599544363 /nfs/dbraw/zinc/54/43/63/599544363.db2.gz PMXZXUDPTMBHRE-AWEZNQCLSA-N -1 3 381.439 3.929 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1cccc(-c2nn[n-]n2)c1 ZINC000820397514 599544367 /nfs/dbraw/zinc/54/43/67/599544367.db2.gz PMXZXUDPTMBHRE-AWEZNQCLSA-N -1 3 381.439 3.929 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736331947 599548357 /nfs/dbraw/zinc/54/83/57/599548357.db2.gz RAXBHCJMGVVSAE-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736331947 599548358 /nfs/dbraw/zinc/54/83/58/599548358.db2.gz RAXBHCJMGVVSAE-LPHOPBHVSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@@H](NC(=O)CCCCCc1ccc(O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323288 599552493 /nfs/dbraw/zinc/55/24/93/599552493.db2.gz XAUYXZQNTBULEZ-OAHLLOKOSA-N -1 3 379.464 3.553 20 0 GHADHM C[C@@H](NC(=O)CCCCCc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323288 599552495 /nfs/dbraw/zinc/55/24/95/599552495.db2.gz XAUYXZQNTBULEZ-OAHLLOKOSA-N -1 3 379.464 3.553 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000819976212 599554145 /nfs/dbraw/zinc/55/41/45/599554145.db2.gz QRBZUBPCCMLNNS-HNNXBMFYSA-N -1 3 383.431 3.541 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000819976212 599554146 /nfs/dbraw/zinc/55/41/46/599554146.db2.gz QRBZUBPCCMLNNS-HNNXBMFYSA-N -1 3 383.431 3.541 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737328140 599559959 /nfs/dbraw/zinc/55/99/59/599559959.db2.gz CSXCFLIHLKQPHT-MAUKXSAKSA-N -1 3 395.463 3.679 20 0 GHADHM CC(C)c1ccc(CN(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000820192325 599560987 /nfs/dbraw/zinc/56/09/87/599560987.db2.gz JWPDAWOENMGVCE-UHFFFAOYSA-N -1 3 389.463 3.672 20 0 GHADHM CC(C)c1ccc(CN(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000820192325 599560990 /nfs/dbraw/zinc/56/09/90/599560990.db2.gz JWPDAWOENMGVCE-UHFFFAOYSA-N -1 3 389.463 3.672 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CCc2ccccc21 ZINC000738272336 599563962 /nfs/dbraw/zinc/56/39/62/599563962.db2.gz ALXSRWJSZRXCBE-UHFFFAOYSA-N -1 3 382.427 3.813 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(Cl)cc1 ZINC000821221043 599570528 /nfs/dbraw/zinc/57/05/28/599570528.db2.gz HSWHPPZCWVLAKK-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc(Cl)cc1 ZINC000821221043 599570531 /nfs/dbraw/zinc/57/05/31/599570531.db2.gz HSWHPPZCWVLAKK-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332960 599575885 /nfs/dbraw/zinc/57/58/85/599575885.db2.gz ZBJGRJOITHQZLD-KKSFZXQISA-N -1 3 390.491 3.587 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736302139 599608718 /nfs/dbraw/zinc/60/87/18/599608718.db2.gz QEPKWBNUTMONCR-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736302139 599608720 /nfs/dbraw/zinc/60/87/20/599608720.db2.gz QEPKWBNUTMONCR-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737330920 599611993 /nfs/dbraw/zinc/61/19/93/599611993.db2.gz OEUJKYZUAAQTMB-KRWDZBQOSA-N -1 3 380.452 3.595 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737330920 599611995 /nfs/dbraw/zinc/61/19/95/599611995.db2.gz OEUJKYZUAAQTMB-KRWDZBQOSA-N -1 3 380.452 3.595 20 0 GHADHM C[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000819884396 599620435 /nfs/dbraw/zinc/62/04/35/599620435.db2.gz WCEYNPKXSZWNHP-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000819884396 599620436 /nfs/dbraw/zinc/62/04/36/599620436.db2.gz WCEYNPKXSZWNHP-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225185 599622124 /nfs/dbraw/zinc/62/21/24/599622124.db2.gz CRGGUKBQTRGKJT-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225185 599622125 /nfs/dbraw/zinc/62/21/25/599622125.db2.gz CRGGUKBQTRGKJT-OLZOCXBDSA-N -1 3 382.395 3.519 20 0 GHADHM CO[C@H](C)CCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000821673879 599627052 /nfs/dbraw/zinc/62/70/52/599627052.db2.gz NPBBGRRMMIMOKO-CQSZACIVSA-N -1 3 398.488 3.741 20 0 GHADHM CO[C@H](C)CCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000821673879 599627053 /nfs/dbraw/zinc/62/70/53/599627053.db2.gz NPBBGRRMMIMOKO-CQSZACIVSA-N -1 3 398.488 3.741 20 0 GHADHM CCO[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821346556 599632808 /nfs/dbraw/zinc/63/28/08/599632808.db2.gz LTKULRXBXVSGLK-OAHLLOKOSA-N -1 3 391.353 3.602 20 0 GHADHM CCO[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000821346556 599632809 /nfs/dbraw/zinc/63/28/09/599632809.db2.gz LTKULRXBXVSGLK-OAHLLOKOSA-N -1 3 391.353 3.602 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(C)c1C ZINC000821231187 599636749 /nfs/dbraw/zinc/63/67/49/599636749.db2.gz XRNJOYFTUJBUSG-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(C)c1C ZINC000821231187 599636750 /nfs/dbraw/zinc/63/67/50/599636750.db2.gz XRNJOYFTUJBUSG-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CC(C)CCc1nc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000820081541 599651818 /nfs/dbraw/zinc/65/18/18/599651818.db2.gz KPIYJOWBZDOLGM-CSKARUKUSA-N -1 3 383.477 3.668 20 0 GHADHM CC(C)CCc1nc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000820081541 599651819 /nfs/dbraw/zinc/65/18/19/599651819.db2.gz KPIYJOWBZDOLGM-CSKARUKUSA-N -1 3 383.477 3.668 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822034587 599657374 /nfs/dbraw/zinc/65/73/74/599657374.db2.gz HZYTZQQXRAALQN-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822034587 599657375 /nfs/dbraw/zinc/65/73/75/599657375.db2.gz HZYTZQQXRAALQN-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822230286 599667483 /nfs/dbraw/zinc/66/74/83/599667483.db2.gz BIHHEAGETBNACP-LIRRHRJNSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822230286 599667484 /nfs/dbraw/zinc/66/74/84/599667484.db2.gz BIHHEAGETBNACP-LIRRHRJNSA-N -1 3 376.464 3.687 20 0 GHADHM CC1(C)CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820595230 599675428 /nfs/dbraw/zinc/67/54/28/599675428.db2.gz FWMSKOKAJXYSRZ-UHFFFAOYSA-N -1 3 382.493 3.537 20 0 GHADHM C[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820549341 599689463 /nfs/dbraw/zinc/68/94/63/599689463.db2.gz MIZJEYJQYSPPGG-SECBINFHSA-N -1 3 385.840 3.818 20 0 GHADHM C[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820549341 599689464 /nfs/dbraw/zinc/68/94/64/599689464.db2.gz MIZJEYJQYSPPGG-SECBINFHSA-N -1 3 385.840 3.818 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1cccc2cnccc21 ZINC000823387240 599690496 /nfs/dbraw/zinc/69/04/96/599690496.db2.gz GPGLDAMPGFYZFT-UHFFFAOYSA-N -1 3 390.472 3.998 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1cccc2cnccc21 ZINC000823387240 599690497 /nfs/dbraw/zinc/69/04/97/599690497.db2.gz GPGLDAMPGFYZFT-UHFFFAOYSA-N -1 3 390.472 3.998 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820966684 599692433 /nfs/dbraw/zinc/69/24/33/599692433.db2.gz GROGRCWLSSCZQO-BBRMVZONSA-N -1 3 393.451 3.706 20 0 GHADHM Cc1c(C(=O)[O-])sc2[n-]c(C[NH2+][C@H]3CCCC[C@@H]3C(C)(C)C)nc(=O)c12 ZINC000738291864 599712813 /nfs/dbraw/zinc/71/28/13/599712813.db2.gz RPJMNXPMCDEEIC-RYUDHWBXSA-N -1 3 377.510 3.686 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000820159913 607397794 /nfs/dbraw/zinc/39/77/94/607397794.db2.gz BLOWBUCMNYCWTC-CQSZACIVSA-N -1 3 393.447 3.549 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000820159913 607397796 /nfs/dbraw/zinc/39/77/96/607397796.db2.gz BLOWBUCMNYCWTC-CQSZACIVSA-N -1 3 393.447 3.549 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739761222 599829120 /nfs/dbraw/zinc/82/91/20/599829120.db2.gz QRZOPBBCEURADI-HXUWFJFHSA-N -1 3 381.476 3.662 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cccc(C(=O)Nc2ccccc2)c1 ZINC000826252609 607399729 /nfs/dbraw/zinc/39/97/29/607399729.db2.gz KOLATHWEDDCQRN-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1cccc(C(=O)Nc2ccccc2)c1 ZINC000826252609 607399731 /nfs/dbraw/zinc/39/97/31/607399731.db2.gz KOLATHWEDDCQRN-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000820161656 607400207 /nfs/dbraw/zinc/40/02/07/607400207.db2.gz ZJJZAPUBHALKMB-NWDGAFQWSA-N -1 3 397.401 3.961 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000820161656 607400209 /nfs/dbraw/zinc/40/02/09/607400209.db2.gz ZJJZAPUBHALKMB-NWDGAFQWSA-N -1 3 397.401 3.961 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000826251337 607402877 /nfs/dbraw/zinc/40/28/77/607402877.db2.gz MIFFTGGMSLMMRR-HXUWFJFHSA-N -1 3 385.427 3.711 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000826251337 607402878 /nfs/dbraw/zinc/40/28/78/607402878.db2.gz MIFFTGGMSLMMRR-HXUWFJFHSA-N -1 3 385.427 3.711 20 0 GHADHM Cc1cc(NC(=S)NC2CCN(Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000738451798 599891908 /nfs/dbraw/zinc/89/19/08/599891908.db2.gz DMHCTOHKULOAMM-UHFFFAOYSA-N -1 3 383.517 3.644 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1cccc(OC)c1 ZINC000737085482 599898548 /nfs/dbraw/zinc/89/85/48/599898548.db2.gz MBLLWUHBGCABED-LJQANCHMSA-N -1 3 385.464 3.598 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccsc1 ZINC000737085286 600016184 /nfs/dbraw/zinc/01/61/84/600016184.db2.gz JJKJGLWBMKUOGH-GOSISDBHSA-N -1 3 387.505 3.555 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826428333 607418292 /nfs/dbraw/zinc/41/82/92/607418292.db2.gz YTGDEUUGUNSNHW-LEWJYISDSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826428333 607418294 /nfs/dbraw/zinc/41/82/94/607418294.db2.gz YTGDEUUGUNSNHW-LEWJYISDSA-N -1 3 395.466 3.929 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824448964 607420485 /nfs/dbraw/zinc/42/04/85/607420485.db2.gz LHFPDNBESKESEL-HNNXBMFYSA-N -1 3 393.516 3.542 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824448964 607420487 /nfs/dbraw/zinc/42/04/87/607420487.db2.gz LHFPDNBESKESEL-HNNXBMFYSA-N -1 3 393.516 3.542 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1-c1nnn[n-]1 ZINC000820164343 607425413 /nfs/dbraw/zinc/42/54/13/607425413.db2.gz IEAVGKCCLHCTDS-OAHLLOKOSA-N -1 3 396.476 3.622 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000820164343 607425415 /nfs/dbraw/zinc/42/54/15/607425415.db2.gz IEAVGKCCLHCTDS-OAHLLOKOSA-N -1 3 396.476 3.622 20 0 GHADHM Cc1sc(NC(=O)C[C@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826349563 607783497 /nfs/dbraw/zinc/78/34/97/607783497.db2.gz MMRKPNSVULMMJP-QMMMGPOBSA-N -1 3 377.420 3.956 20 0 GHADHM Cc1sc(NC(=O)C[C@H](C)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000826349563 607783498 /nfs/dbraw/zinc/78/34/98/607783498.db2.gz MMRKPNSVULMMJP-QMMMGPOBSA-N -1 3 377.420 3.956 20 0 GHADHM O=C([O-])c1cc(Cl)cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000739404921 600284222 /nfs/dbraw/zinc/28/42/22/600284222.db2.gz PNBKNZREXKHSLO-GOSISDBHSA-N -1 3 387.867 3.997 20 0 GHADHM CN(Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1)C(=O)[O-] ZINC000737479431 600307021 /nfs/dbraw/zinc/30/70/21/600307021.db2.gz YROISYHHDGFWNY-SFHVURJKSA-N -1 3 399.466 3.786 20 0 GHADHM Cc1conc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822408619 607441466 /nfs/dbraw/zinc/44/14/66/607441466.db2.gz FZHNKPFNEFZFBY-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1conc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822408619 607441468 /nfs/dbraw/zinc/44/14/68/607441468.db2.gz FZHNKPFNEFZFBY-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000739514584 600409784 /nfs/dbraw/zinc/40/97/84/600409784.db2.gz DVFOEYKQKKKHDM-HNNXBMFYSA-N -1 3 398.688 3.762 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826286331 607446413 /nfs/dbraw/zinc/44/64/13/607446413.db2.gz YVNATLJJYSVMPM-WOJBJXKFSA-N -1 3 392.459 3.695 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826286331 607446415 /nfs/dbraw/zinc/44/64/15/607446415.db2.gz YVNATLJJYSVMPM-WOJBJXKFSA-N -1 3 392.459 3.695 20 0 GHADHM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1csc2ccccc21 ZINC000736662120 600523679 /nfs/dbraw/zinc/52/36/79/600523679.db2.gz MASBKRRJLHNWDP-KGLIPLIRSA-N -1 3 382.485 3.955 20 0 GHADHM CC1(C)C[C@@H](NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc21 ZINC000824789343 607459840 /nfs/dbraw/zinc/45/98/40/607459840.db2.gz HANXSXSKBFOVKS-GOSISDBHSA-N -1 3 388.475 3.578 20 0 GHADHM CC1(C)C[C@@H](NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2ccccc21 ZINC000824789343 607459841 /nfs/dbraw/zinc/45/98/41/607459841.db2.gz HANXSXSKBFOVKS-GOSISDBHSA-N -1 3 388.475 3.578 20 0 GHADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1F ZINC000833168194 600751203 /nfs/dbraw/zinc/75/12/03/600751203.db2.gz UIQHCSRWQPJMCX-CXAGYDPISA-N -1 3 382.357 3.839 20 0 GHADHM Fc1ccc(Oc2ccc(CNCc3ccc(-c4nn[n-]n4)cc3F)cn2)cc1 ZINC000822782985 607474373 /nfs/dbraw/zinc/47/43/73/607474373.db2.gz OPVFQZSSGPZNBX-UHFFFAOYSA-N -1 3 394.385 3.622 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276367 601029632 /nfs/dbraw/zinc/02/96/32/601029632.db2.gz BFKBIPMOENSFSK-QGZVFWFLSA-N -1 3 396.491 3.929 20 0 GHADHM CC[C@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000829152699 601114564 /nfs/dbraw/zinc/11/45/64/601114564.db2.gz ZJVMDXPIDIVRCM-GHTZIAJQSA-N -1 3 395.503 3.908 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000830923806 601332739 /nfs/dbraw/zinc/33/27/39/601332739.db2.gz RXCKAQCCSZLAEV-UHFFFAOYSA-N -1 3 382.464 3.905 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000832914159 601500394 /nfs/dbraw/zinc/50/03/94/601500394.db2.gz BQXCSIHBJSOPFZ-IAGOWNOFSA-N -1 3 395.503 3.971 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000832914450 601511505 /nfs/dbraw/zinc/51/15/05/601511505.db2.gz FHTGTVUCBRKPLG-ZOZBEKFXSA-N -1 3 382.460 3.563 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000826044993 601653029 /nfs/dbraw/zinc/65/30/29/601653029.db2.gz NZUSRMBQBPASPS-MNVSYLFESA-N -1 3 390.430 3.536 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000830923586 601692621 /nfs/dbraw/zinc/69/26/21/601692621.db2.gz NFVOLPXIQOCKHT-UHFFFAOYSA-N -1 3 385.439 3.652 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830609006 601707936 /nfs/dbraw/zinc/70/79/36/601707936.db2.gz PPOMGTKMBMLYCW-UHFFFAOYSA-N -1 3 380.445 3.573 20 0 GHADHM C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000827741861 601852487 /nfs/dbraw/zinc/85/24/87/601852487.db2.gz VGXDMUWFFLKBTR-INIZCTEOSA-N -1 3 397.496 3.690 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000832914111 601854221 /nfs/dbraw/zinc/85/42/21/601854221.db2.gz AOXHPIHDOKMBAR-HOTGVXAUSA-N -1 3 392.459 3.557 20 0 GHADHM O=C([O-])CSc1ccc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000833262734 601873762 /nfs/dbraw/zinc/87/37/62/601873762.db2.gz GMLAKUIJFLYEMC-KRWDZBQOSA-N -1 3 385.485 3.681 20 0 GHADHM COc1ccc(CSCc2nc(-c3ccc(C)cc3)no2)cc1-c1nnn[n-]1 ZINC000826208164 607534252 /nfs/dbraw/zinc/53/42/52/607534252.db2.gz WQPVYHBDBRTIMQ-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSCc2nc(-c3ccc(C)cc3)no2)cc1-c1nn[n-]n1 ZINC000826208164 607534254 /nfs/dbraw/zinc/53/42/54/607534254.db2.gz WQPVYHBDBRTIMQ-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccc(C)cc3C)o2)cc1-c1nnn[n-]1 ZINC000826208142 607546260 /nfs/dbraw/zinc/54/62/60/607546260.db2.gz VTZRFKRKZMZYGA-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccc(C)cc3C)o2)cc1-c1nn[n-]n1 ZINC000826208142 607546261 /nfs/dbraw/zinc/54/62/61/607546261.db2.gz VTZRFKRKZMZYGA-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM O=C([O-])c1ccc(OCCN2CCC[C@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000833321065 602249046 /nfs/dbraw/zinc/24/90/46/602249046.db2.gz GXJDNXFBSGXYRU-GOEBONIOSA-N -1 3 379.840 3.598 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825782676 607565520 /nfs/dbraw/zinc/56/55/20/607565520.db2.gz LGRMRZLHQHFIAW-MRXNPFEDSA-N -1 3 379.468 3.504 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825782676 607565521 /nfs/dbraw/zinc/56/55/21/607565521.db2.gz LGRMRZLHQHFIAW-MRXNPFEDSA-N -1 3 379.468 3.504 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000825159262 607578110 /nfs/dbraw/zinc/57/81/10/607578110.db2.gz MHIAYFLIHMTGSZ-INIZCTEOSA-N -1 3 387.440 3.878 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000825159262 607578111 /nfs/dbraw/zinc/57/81/11/607578111.db2.gz MHIAYFLIHMTGSZ-INIZCTEOSA-N -1 3 387.440 3.878 20 0 GHADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1cc(C)ccc1C ZINC000826283826 607587892 /nfs/dbraw/zinc/58/78/92/607587892.db2.gz BSIZEWZSYBAFIJ-ZHACJKMWSA-N -1 3 399.458 3.630 20 0 GHADHM Cc1c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1cc(C)ccc1C ZINC000826283826 607587893 /nfs/dbraw/zinc/58/78/93/607587893.db2.gz BSIZEWZSYBAFIJ-ZHACJKMWSA-N -1 3 399.458 3.630 20 0 GHADHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(OC)cc1 ZINC000825029550 607593468 /nfs/dbraw/zinc/59/34/68/607593468.db2.gz WCMNFYNRKJTOHG-VAWYXSNFSA-N -1 3 383.839 3.961 20 0 GHADHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(OC)cc1 ZINC000825029550 607593470 /nfs/dbraw/zinc/59/34/70/607593470.db2.gz WCMNFYNRKJTOHG-VAWYXSNFSA-N -1 3 383.839 3.961 20 0 GHADHM CN(C)CCN(CCc1ccccc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739605899 603032267 /nfs/dbraw/zinc/03/22/67/603032267.db2.gz IESKEMICAQRXJK-UHFFFAOYSA-N -1 3 388.443 3.554 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])N(C)C)cc1 ZINC000740117201 603142369 /nfs/dbraw/zinc/14/23/69/603142369.db2.gz IEVDNDKEXXUFJM-IBGZPJMESA-N -1 3 384.480 3.529 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830875783 603175954 /nfs/dbraw/zinc/17/59/54/603175954.db2.gz LIHFFBJZJBDGLN-NRFANRHFSA-N -1 3 378.476 3.647 20 0 GHADHM CCN(Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1)C(=O)[O-] ZINC000739442396 603346315 /nfs/dbraw/zinc/34/63/15/603346315.db2.gz KVDDCHCHBMAHDE-IBGZPJMESA-N -1 3 384.480 3.611 20 0 GHADHM CN(C)C(=O)Sc1cccc(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000827975867 603734611 /nfs/dbraw/zinc/73/46/11/603734611.db2.gz PUFJHZCVOLYDNF-AEFFLSMTSA-N -1 3 391.537 3.815 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000826244444 607675319 /nfs/dbraw/zinc/67/53/19/607675319.db2.gz SIFOFTYHVAGFAU-UHFFFAOYSA-N -1 3 393.466 3.942 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000826244444 607675322 /nfs/dbraw/zinc/67/53/22/607675322.db2.gz SIFOFTYHVAGFAU-UHFFFAOYSA-N -1 3 393.466 3.942 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000826243965 607675421 /nfs/dbraw/zinc/67/54/21/607675421.db2.gz BZZCMPIPXZBLMQ-UHFFFAOYSA-N -1 3 393.466 3.942 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000826243965 607675423 /nfs/dbraw/zinc/67/54/23/607675423.db2.gz BZZCMPIPXZBLMQ-UHFFFAOYSA-N -1 3 393.466 3.942 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000825620465 607705359 /nfs/dbraw/zinc/70/53/59/607705359.db2.gz BLWNAKDRMWDIRI-AWEZNQCLSA-N -1 3 395.463 3.796 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000825620465 607705360 /nfs/dbraw/zinc/70/53/60/607705360.db2.gz BLWNAKDRMWDIRI-AWEZNQCLSA-N -1 3 395.463 3.796 20 0 GHADHM COc1cccc(CN(Cc2ccc(C(=O)[O-])cc2F)C2CCC(O)CC2)c1 ZINC000833735610 604760322 /nfs/dbraw/zinc/76/03/22/604760322.db2.gz QMCNZXKHWWNGIJ-UHFFFAOYSA-N -1 3 387.451 3.838 20 0 GHADHM C[C@]1(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833567957 604818523 /nfs/dbraw/zinc/81/85/23/604818523.db2.gz BMZFVCLLRJZONL-GUYCJALGSA-N -1 3 383.370 3.879 20 0 GHADHM Cc1csc(Sc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c(C)c2)n1 ZINC000826321117 607721386 /nfs/dbraw/zinc/72/13/86/607721386.db2.gz QSFVQJHCTATJKW-UHFFFAOYSA-N -1 3 397.489 3.672 20 0 GHADHM Cc1csc(Sc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c(C)c2)n1 ZINC000826321117 607721389 /nfs/dbraw/zinc/72/13/89/607721389.db2.gz QSFVQJHCTATJKW-UHFFFAOYSA-N -1 3 397.489 3.672 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000652499955 604931324 /nfs/dbraw/zinc/93/13/24/604931324.db2.gz UILAVSCVSHSVOP-GFCCVEGCSA-N -1 3 384.270 3.501 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000652499676 604937208 /nfs/dbraw/zinc/93/72/08/604937208.db2.gz IDPWABDDPITFOQ-CQSZACIVSA-N -1 3 388.489 3.862 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000833420996 604937247 /nfs/dbraw/zinc/93/72/47/604937247.db2.gz FXMAXZPWAUQPLK-LBPRGKRZSA-N -1 3 386.464 3.763 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000652499675 604937395 /nfs/dbraw/zinc/93/73/95/604937395.db2.gz IDPWABDDPITFOQ-AWEZNQCLSA-N -1 3 388.489 3.862 20 0 GHADHM Cc1sc2nc([C@@H](C)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)nc(N)c2c1C ZINC000833758675 605058841 /nfs/dbraw/zinc/05/88/41/605058841.db2.gz LMFGIFAZIUVMAS-DGCLKSJQSA-N -1 3 376.526 3.774 20 0 GHADHM CCCN(Cc1nnc(-c2cccc(Cl)c2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916126 605463012 /nfs/dbraw/zinc/46/30/12/605463012.db2.gz FYDYULLBGQSQRX-UHFFFAOYSA-N -1 3 378.860 3.744 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824808610 607758310 /nfs/dbraw/zinc/75/83/10/607758310.db2.gz WOQWNYGIQFOJDB-GOSISDBHSA-N -1 3 394.454 3.519 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824808610 607758311 /nfs/dbraw/zinc/75/83/11/607758311.db2.gz WOQWNYGIQFOJDB-GOSISDBHSA-N -1 3 394.454 3.519 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1-c1nnn[n-]1 ZINC000825531908 607760823 /nfs/dbraw/zinc/76/08/23/607760823.db2.gz NDYHWHXYOCZNQV-OAHLLOKOSA-N -1 3 394.435 3.567 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1-c1nn[n-]n1 ZINC000825531908 607760824 /nfs/dbraw/zinc/76/08/24/607760824.db2.gz NDYHWHXYOCZNQV-OAHLLOKOSA-N -1 3 394.435 3.567 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826185358 607762710 /nfs/dbraw/zinc/76/27/10/607762710.db2.gz HRVZYYJYWWIGDR-OAHLLOKOSA-N -1 3 384.827 3.508 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000826185358 607762711 /nfs/dbraw/zinc/76/27/11/607762711.db2.gz HRVZYYJYWWIGDR-OAHLLOKOSA-N -1 3 384.827 3.508 20 0 GHADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830445038 605589061 /nfs/dbraw/zinc/58/90/61/605589061.db2.gz DPHKPWKRDQSCAA-FXAWDEMLSA-N -1 3 379.460 3.841 20 0 GHADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823962935 607770199 /nfs/dbraw/zinc/77/01/99/607770199.db2.gz SROXSAWFDSJFEH-LBPRGKRZSA-N -1 3 398.492 3.714 20 0 GHADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823962935 607770200 /nfs/dbraw/zinc/77/02/00/607770200.db2.gz SROXSAWFDSJFEH-LBPRGKRZSA-N -1 3 398.492 3.714 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1csc(C2CC2)n1 ZINC000826460007 607770915 /nfs/dbraw/zinc/77/09/15/607770915.db2.gz JMLPTYVRFROQDM-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1csc(C2CC2)n1 ZINC000826460007 607770916 /nfs/dbraw/zinc/77/09/16/607770916.db2.gz JMLPTYVRFROQDM-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824917322 607772102 /nfs/dbraw/zinc/77/21/02/607772102.db2.gz NOOJKAHSIKPALV-ACJLOTCBSA-N -1 3 379.489 3.714 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824917322 607772103 /nfs/dbraw/zinc/77/21/03/607772103.db2.gz NOOJKAHSIKPALV-ACJLOTCBSA-N -1 3 379.489 3.714 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(C2CC2)sc1=S ZINC000821104536 606034104 /nfs/dbraw/zinc/03/41/04/606034104.db2.gz HRLIPUQGAVUJKT-UHFFFAOYSA-N -1 3 387.538 3.601 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(C2CC2)sc1=S ZINC000821104536 606034109 /nfs/dbraw/zinc/03/41/09/606034109.db2.gz HRLIPUQGAVUJKT-UHFFFAOYSA-N -1 3 387.538 3.601 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2cc(C)ccc2C)c(-c2nnn[n-]2)c1C ZINC000822230809 606109651 /nfs/dbraw/zinc/10/96/51/606109651.db2.gz QVYSMUIGHINQTF-CQSZACIVSA-N -1 3 398.536 3.793 20 0 GHADHM Cc1sc(NC(=O)CN(C)[C@H](C)c2cc(C)ccc2C)c(-c2nn[n-]n2)c1C ZINC000822230809 606109654 /nfs/dbraw/zinc/10/96/54/606109654.db2.gz QVYSMUIGHINQTF-CQSZACIVSA-N -1 3 398.536 3.793 20 0 GHADHM CC(C)CCOc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000820077033 606133616 /nfs/dbraw/zinc/13/36/16/606133616.db2.gz YPSBYKVECHDBQJ-UHFFFAOYSA-N -1 3 377.452 3.551 20 0 GHADHM CC(C)CCOc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000820077033 606133618 /nfs/dbraw/zinc/13/36/18/606133618.db2.gz YPSBYKVECHDBQJ-UHFFFAOYSA-N -1 3 377.452 3.551 20 0 GHADHM O=[S@](Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000823614380 606156538 /nfs/dbraw/zinc/15/65/38/606156538.db2.gz PIZGHJVODGPRMD-RUZDIDTESA-N -1 3 386.786 3.847 20 0 GHADHM O=[S@](Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000823614380 606156539 /nfs/dbraw/zinc/15/65/39/606156539.db2.gz PIZGHJVODGPRMD-RUZDIDTESA-N -1 3 386.786 3.847 20 0 GHADHM Fc1ccc(NCc2cn3cc(Cl)cc(Cl)c3n2)cc1-c1nnn[n-]1 ZINC000822783198 606156562 /nfs/dbraw/zinc/15/65/62/606156562.db2.gz ZKNMRELFJDGEIS-UHFFFAOYSA-N -1 3 378.198 3.572 20 0 GHADHM Fc1ccc(NCc2cn3cc(Cl)cc(Cl)c3n2)cc1-c1nn[n-]n1 ZINC000822783198 606156563 /nfs/dbraw/zinc/15/65/63/606156563.db2.gz ZKNMRELFJDGEIS-UHFFFAOYSA-N -1 3 378.198 3.572 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820564046 606156749 /nfs/dbraw/zinc/15/67/49/606156749.db2.gz XUUROWJBHXXRDM-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820564046 606156751 /nfs/dbraw/zinc/15/67/51/606156751.db2.gz XUUROWJBHXXRDM-UONOGXRCSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397998 606184162 /nfs/dbraw/zinc/18/41/62/606184162.db2.gz YQBXPXQLIGNLFP-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397998 606184163 /nfs/dbraw/zinc/18/41/63/606184163.db2.gz YQBXPXQLIGNLFP-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CC[C@@H]1Cc1ccccc1 ZINC000823492981 606197400 /nfs/dbraw/zinc/19/74/00/606197400.db2.gz BZMAUOSPHCTXDS-GOSISDBHSA-N -1 3 395.466 3.991 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CC[C@@H]1Cc1ccccc1 ZINC000823492981 606197401 /nfs/dbraw/zinc/19/74/01/606197401.db2.gz BZMAUOSPHCTXDS-GOSISDBHSA-N -1 3 395.466 3.991 20 0 GHADHM Cc1cc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000822199865 606207445 /nfs/dbraw/zinc/20/74/45/606207445.db2.gz KLRHTONWQCNLDP-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1cc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000822199865 606207446 /nfs/dbraw/zinc/20/74/46/606207446.db2.gz KLRHTONWQCNLDP-UHFFFAOYSA-N -1 3 386.253 3.509 20 0 GHADHM Cc1cc(CCC(=O)Nc2sccc2-c2nnn[n-]2)ccc1Br ZINC000822199942 606209228 /nfs/dbraw/zinc/20/92/28/606209228.db2.gz OEUUHPYMAJKLQC-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM Cc1cc(CCC(=O)Nc2sccc2-c2nn[n-]n2)ccc1Br ZINC000822199942 606209229 /nfs/dbraw/zinc/20/92/29/606209229.db2.gz OEUUHPYMAJKLQC-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821082189 606213170 /nfs/dbraw/zinc/21/31/70/606213170.db2.gz IBTVAQCJVZFLFC-UHFFFAOYSA-N -1 3 392.463 3.566 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821082189 606213172 /nfs/dbraw/zinc/21/31/72/606213172.db2.gz IBTVAQCJVZFLFC-UHFFFAOYSA-N -1 3 392.463 3.566 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148411 606223013 /nfs/dbraw/zinc/22/30/13/606223013.db2.gz OKFLGQOMBHAEEP-QJPKHSJYSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148411 606223015 /nfs/dbraw/zinc/22/30/15/606223015.db2.gz OKFLGQOMBHAEEP-QJPKHSJYSA-N -1 3 391.475 3.888 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000822323715 606247207 /nfs/dbraw/zinc/24/72/07/606247207.db2.gz NQOFUHKPLIHJRA-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000822323715 606247210 /nfs/dbraw/zinc/24/72/10/606247210.db2.gz NQOFUHKPLIHJRA-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM C[C@H](Oc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1 ZINC000820550612 606254437 /nfs/dbraw/zinc/25/44/37/606254437.db2.gz XPHSHLSZCYJSBR-AWEZNQCLSA-N -1 3 388.431 3.598 20 0 GHADHM C[C@H](Oc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1 ZINC000820550612 606254438 /nfs/dbraw/zinc/25/44/38/606254438.db2.gz XPHSHLSZCYJSBR-AWEZNQCLSA-N -1 3 388.431 3.598 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000822655655 606260819 /nfs/dbraw/zinc/26/08/19/606260819.db2.gz RQJFEIFHORMCJA-UHFFFAOYSA-N -1 3 398.348 3.542 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000822655655 606260820 /nfs/dbraw/zinc/26/08/20/606260820.db2.gz RQJFEIFHORMCJA-UHFFFAOYSA-N -1 3 398.348 3.542 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(COc2ccccc2)cc1 ZINC000823346407 606264193 /nfs/dbraw/zinc/26/41/93/606264193.db2.gz NDNCNOQPCMTTLL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(COc2ccccc2)cc1 ZINC000823346407 606264194 /nfs/dbraw/zinc/26/41/94/606264194.db2.gz NDNCNOQPCMTTLL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM COCCCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821686815 606265228 /nfs/dbraw/zinc/26/52/28/606265228.db2.gz ATYHXUQSYZWOBU-UHFFFAOYSA-N -1 3 397.504 3.564 20 0 GHADHM COCCCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821686815 606265230 /nfs/dbraw/zinc/26/52/30/606265230.db2.gz ATYHXUQSYZWOBU-UHFFFAOYSA-N -1 3 397.504 3.564 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820536143 606266527 /nfs/dbraw/zinc/26/65/27/606266527.db2.gz SEWYBQTVWCEPTF-LBPRGKRZSA-N -1 3 383.427 3.709 20 0 GHADHM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820536143 606266529 /nfs/dbraw/zinc/26/65/29/606266529.db2.gz SEWYBQTVWCEPTF-LBPRGKRZSA-N -1 3 383.427 3.709 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OCC ZINC000821077583 606273072 /nfs/dbraw/zinc/27/30/72/606273072.db2.gz MIAAFCNGIRXXFV-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OCC ZINC000821077583 606273073 /nfs/dbraw/zinc/27/30/73/606273073.db2.gz MIAAFCNGIRXXFV-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612490 606281472 /nfs/dbraw/zinc/28/14/72/606281472.db2.gz FXNADSSEEOABKC-HSZRJFAPSA-N -1 3 389.503 3.671 20 0 GHADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612490 606281473 /nfs/dbraw/zinc/28/14/73/606281473.db2.gz FXNADSSEEOABKC-HSZRJFAPSA-N -1 3 389.503 3.671 20 0 GHADHM CC(C)c1ccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820192330 606307771 /nfs/dbraw/zinc/30/77/71/606307771.db2.gz JZLFFFHRYRPWCZ-UHFFFAOYSA-N -1 3 388.518 3.556 20 0 GHADHM CC(C)c1ccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192330 606307773 /nfs/dbraw/zinc/30/77/73/606307773.db2.gz JZLFFFHRYRPWCZ-UHFFFAOYSA-N -1 3 388.518 3.556 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820122045 606314912 /nfs/dbraw/zinc/31/49/12/606314912.db2.gz YLQDGHDFBUBKDM-UHFFFAOYSA-N -1 3 379.251 3.552 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820122045 606314914 /nfs/dbraw/zinc/31/49/14/606314914.db2.gz YLQDGHDFBUBKDM-UHFFFAOYSA-N -1 3 379.251 3.552 20 0 GHADHM CCOc1ccc(CSc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)nc1 ZINC000821422372 606328541 /nfs/dbraw/zinc/32/85/41/606328541.db2.gz VWEGOBXFEAEDMT-UHFFFAOYSA-N -1 3 396.398 3.675 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820939047 606335844 /nfs/dbraw/zinc/33/58/44/606335844.db2.gz PFQNPAFWHTUOSA-MRXNPFEDSA-N -1 3 399.426 3.589 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820939047 606335847 /nfs/dbraw/zinc/33/58/47/606335847.db2.gz PFQNPAFWHTUOSA-MRXNPFEDSA-N -1 3 399.426 3.589 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820643761 606342389 /nfs/dbraw/zinc/34/23/89/606342389.db2.gz YXWZTPBIWPVVJX-DOMZBBRYSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820643761 606342391 /nfs/dbraw/zinc/34/23/91/606342391.db2.gz YXWZTPBIWPVVJX-DOMZBBRYSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513075 606342831 /nfs/dbraw/zinc/34/28/31/606342831.db2.gz TXVAAJGMTMEBFR-OAHLLOKOSA-N -1 3 392.463 3.560 20 0 GHADHM C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513075 606342833 /nfs/dbraw/zinc/34/28/33/606342833.db2.gz TXVAAJGMTMEBFR-OAHLLOKOSA-N -1 3 392.463 3.560 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508630 606344598 /nfs/dbraw/zinc/34/45/98/606344598.db2.gz UEIPIFSCBUPSRF-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM C[C@@H](OC(=O)c1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508630 606344599 /nfs/dbraw/zinc/34/45/99/606344599.db2.gz UEIPIFSCBUPSRF-SECBINFHSA-N -1 3 391.200 3.686 20 0 GHADHM CS/C=C/C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000821956486 606361573 /nfs/dbraw/zinc/36/15/73/606361573.db2.gz PTDXMTWBMQUEJE-MDZDMXLPSA-N -1 3 383.452 3.724 20 0 GHADHM CS/C=C/C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000821956486 606361574 /nfs/dbraw/zinc/36/15/74/606361574.db2.gz PTDXMTWBMQUEJE-MDZDMXLPSA-N -1 3 383.452 3.724 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820340646 606392603 /nfs/dbraw/zinc/39/26/03/606392603.db2.gz MPOWLYJCONVUIB-HNNXBMFYSA-N -1 3 388.475 3.969 20 0 GHADHM C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820340646 606392605 /nfs/dbraw/zinc/39/26/05/606392605.db2.gz MPOWLYJCONVUIB-HNNXBMFYSA-N -1 3 388.475 3.969 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821891108 606400912 /nfs/dbraw/zinc/40/09/12/606400912.db2.gz VRRIEYTXZDAPAH-MRXNPFEDSA-N -1 3 386.459 3.635 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821891108 606400914 /nfs/dbraw/zinc/40/09/14/606400914.db2.gz VRRIEYTXZDAPAH-MRXNPFEDSA-N -1 3 386.459 3.635 20 0 GHADHM O=C(CCn1cccc1)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000822986770 606429015 /nfs/dbraw/zinc/42/90/15/606429015.db2.gz LDEIPYYDXIBRDH-UHFFFAOYSA-N -1 3 390.472 3.524 20 0 GHADHM O=C(CCn1cccc1)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000822986770 606429017 /nfs/dbraw/zinc/42/90/17/606429017.db2.gz LDEIPYYDXIBRDH-UHFFFAOYSA-N -1 3 390.472 3.524 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508792 606436546 /nfs/dbraw/zinc/43/65/46/606436546.db2.gz XTIGPGDXCXBOFZ-NEPJUHHUSA-N -1 3 379.445 3.825 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508792 606436549 /nfs/dbraw/zinc/43/65/49/606436549.db2.gz XTIGPGDXCXBOFZ-NEPJUHHUSA-N -1 3 379.445 3.825 20 0 GHADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823373251 606493787 /nfs/dbraw/zinc/49/37/87/606493787.db2.gz USRHPVZBJZBGFR-UHFFFAOYSA-N -1 3 388.456 3.875 20 0 GHADHM O=C(Nc1ccccc1N1CCc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823373251 606493788 /nfs/dbraw/zinc/49/37/88/606493788.db2.gz USRHPVZBJZBGFR-UHFFFAOYSA-N -1 3 388.456 3.875 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)o1 ZINC000822194093 606508615 /nfs/dbraw/zinc/50/86/15/606508615.db2.gz IGXUUMJVKZOCCW-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820819174 606547463 /nfs/dbraw/zinc/54/74/63/606547463.db2.gz GDOAIYCWHOHSEO-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820819174 606547464 /nfs/dbraw/zinc/54/74/64/606547464.db2.gz GDOAIYCWHOHSEO-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000819766102 606548303 /nfs/dbraw/zinc/54/83/03/606548303.db2.gz VFRXBJGKIVIENX-CSKARUKUSA-N -1 3 389.337 3.649 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000819766102 606548304 /nfs/dbraw/zinc/54/83/04/606548304.db2.gz VFRXBJGKIVIENX-CSKARUKUSA-N -1 3 389.337 3.649 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1(C)CC1 ZINC000820307345 606552188 /nfs/dbraw/zinc/55/21/88/606552188.db2.gz LPWMADCTXUXYAA-AWEZNQCLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H](N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1(C)CC1 ZINC000820307345 606552189 /nfs/dbraw/zinc/55/21/89/606552189.db2.gz LPWMADCTXUXYAA-AWEZNQCLSA-N -1 3 377.448 3.920 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000823093456 606555568 /nfs/dbraw/zinc/55/55/68/606555568.db2.gz YQNCZTBXZNIRON-QHCPKHFHSA-N -1 3 395.466 3.584 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000823093456 606555569 /nfs/dbraw/zinc/55/55/69/606555569.db2.gz YQNCZTBXZNIRON-QHCPKHFHSA-N -1 3 395.466 3.584 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000822266807 606562088 /nfs/dbraw/zinc/56/20/88/606562088.db2.gz JSGSCQAANXMKRO-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000822266807 606562090 /nfs/dbraw/zinc/56/20/90/606562090.db2.gz JSGSCQAANXMKRO-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000820507322 606563710 /nfs/dbraw/zinc/56/37/10/606563710.db2.gz GTYPXMSWRJGETI-NSHDSACASA-N -1 3 384.461 3.654 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000820507322 606563712 /nfs/dbraw/zinc/56/37/12/606563712.db2.gz GTYPXMSWRJGETI-NSHDSACASA-N -1 3 384.461 3.654 20 0 GHADHM CCC1(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCC1 ZINC000820967883 606573302 /nfs/dbraw/zinc/57/33/02/606573302.db2.gz XVJODTGZOWKMMT-UHFFFAOYSA-N -1 3 379.424 3.508 20 0 GHADHM CCC1(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCC1 ZINC000820967883 606573303 /nfs/dbraw/zinc/57/33/03/606573303.db2.gz XVJODTGZOWKMMT-UHFFFAOYSA-N -1 3 379.424 3.508 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819898971 606582955 /nfs/dbraw/zinc/58/29/55/606582955.db2.gz LPIOINJDCQZOIN-UHFFFAOYSA-N -1 3 377.448 3.667 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819898971 606582956 /nfs/dbraw/zinc/58/29/56/606582956.db2.gz LPIOINJDCQZOIN-UHFFFAOYSA-N -1 3 377.448 3.667 20 0 GHADHM Clc1cc(Cl)c2c(c1)CCN(c1ncc(-c3nnn[n-]3)cc1Cl)C2 ZINC000822568292 606592776 /nfs/dbraw/zinc/59/27/76/606592776.db2.gz OYLKMAZQOOHGSM-UHFFFAOYSA-N -1 3 381.654 3.785 20 0 GHADHM Clc1cc(Cl)c2c(c1)CCN(c1ncc(-c3nn[n-]n3)cc1Cl)C2 ZINC000822568292 606592778 /nfs/dbraw/zinc/59/27/78/606592778.db2.gz OYLKMAZQOOHGSM-UHFFFAOYSA-N -1 3 381.654 3.785 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(NCCc2ccccc2)cc1 ZINC000823104645 606595089 /nfs/dbraw/zinc/59/50/89/606595089.db2.gz ZZJMFFFKEMPQAP-UHFFFAOYSA-N -1 3 398.470 3.703 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(NCCc2ccccc2)cc1 ZINC000823104645 606595090 /nfs/dbraw/zinc/59/50/90/606595090.db2.gz ZZJMFFFKEMPQAP-UHFFFAOYSA-N -1 3 398.470 3.703 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cccc2ccccc21 ZINC000821308874 606599927 /nfs/dbraw/zinc/59/99/27/606599927.db2.gz GTLMGXHVUMPYFD-UHFFFAOYSA-N -1 3 387.447 3.502 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821100203 606626658 /nfs/dbraw/zinc/62/66/58/606626658.db2.gz VWRFJAQYKXVRJG-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000821100203 606626660 /nfs/dbraw/zinc/62/66/60/606626660.db2.gz VWRFJAQYKXVRJG-MRXNPFEDSA-N -1 3 393.491 3.808 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000820549510 606628587 /nfs/dbraw/zinc/62/85/87/606628587.db2.gz OBYDITKALJSOMS-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1 ZINC000820549510 606628589 /nfs/dbraw/zinc/62/85/89/606628589.db2.gz OBYDITKALJSOMS-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822211499 606631966 /nfs/dbraw/zinc/63/19/66/606631966.db2.gz BILWCQHESYFWBL-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822211499 606631967 /nfs/dbraw/zinc/63/19/67/606631967.db2.gz BILWCQHESYFWBL-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1cccc(C(N)=O)c1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822289000 606638625 /nfs/dbraw/zinc/63/86/25/606638625.db2.gz OWKLJCVJKYMCTR-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1cccc(C(N)=O)c1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822289000 606638626 /nfs/dbraw/zinc/63/86/26/606638626.db2.gz OWKLJCVJKYMCTR-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000820086979 606670776 /nfs/dbraw/zinc/67/07/76/606670776.db2.gz ISKPXHSVEKMPQT-RTWAWAEBSA-N -1 3 389.503 3.730 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000820086979 606670777 /nfs/dbraw/zinc/67/07/77/606670777.db2.gz ISKPXHSVEKMPQT-RTWAWAEBSA-N -1 3 389.503 3.730 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823453837 606671463 /nfs/dbraw/zinc/67/14/63/606671463.db2.gz BHEWHQGPDQSWOX-UHFFFAOYSA-N -1 3 399.376 3.604 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823453837 606671464 /nfs/dbraw/zinc/67/14/64/606671464.db2.gz BHEWHQGPDQSWOX-UHFFFAOYSA-N -1 3 399.376 3.604 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCc2cn(C)c3ccccc23)s1 ZINC000821466000 606674462 /nfs/dbraw/zinc/67/44/62/606674462.db2.gz UEFXEPPLHNBCDJ-UHFFFAOYSA-N -1 3 380.477 3.554 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCc2cn(C)c3ccccc23)s1 ZINC000821466000 606674463 /nfs/dbraw/zinc/67/44/63/606674463.db2.gz UEFXEPPLHNBCDJ-UHFFFAOYSA-N -1 3 380.477 3.554 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822345788 606679247 /nfs/dbraw/zinc/67/92/47/606679247.db2.gz RLSLODBMMRYOFX-SFHVURJKSA-N -1 3 385.418 3.923 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822345788 606679248 /nfs/dbraw/zinc/67/92/48/606679248.db2.gz RLSLODBMMRYOFX-SFHVURJKSA-N -1 3 385.418 3.923 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820294848 606680515 /nfs/dbraw/zinc/68/05/15/606680515.db2.gz VBUPCXQRYMNCPB-JTQLQIEISA-N -1 3 391.809 3.502 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820294848 606680516 /nfs/dbraw/zinc/68/05/16/606680516.db2.gz VBUPCXQRYMNCPB-JTQLQIEISA-N -1 3 391.809 3.502 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820666107 606682377 /nfs/dbraw/zinc/68/23/77/606682377.db2.gz GWRYDGOFDBIYCC-XUJVJEKNSA-N -1 3 383.402 3.552 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820666107 606682378 /nfs/dbraw/zinc/68/23/78/606682378.db2.gz GWRYDGOFDBIYCC-XUJVJEKNSA-N -1 3 383.402 3.552 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820037735 606689223 /nfs/dbraw/zinc/68/92/23/606689223.db2.gz GHGUKDHTTZWJEO-SFHVURJKSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820037735 606689224 /nfs/dbraw/zinc/68/92/24/606689224.db2.gz GHGUKDHTTZWJEO-SFHVURJKSA-N -1 3 391.475 3.564 20 0 GHADHM CCCCOc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000821077311 606701319 /nfs/dbraw/zinc/70/13/19/606701319.db2.gz AAOZTELVNCZYRW-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM CCCCOc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000821077311 606701320 /nfs/dbraw/zinc/70/13/20/606701320.db2.gz AAOZTELVNCZYRW-UHFFFAOYSA-N -1 3 391.435 3.708 20 0 GHADHM COCC[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821686064 606712672 /nfs/dbraw/zinc/71/26/72/606712672.db2.gz ZQYILBZDWHXMBK-ZDUSSCGKSA-N -1 3 387.871 3.936 20 0 GHADHM COCC[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821686064 606712673 /nfs/dbraw/zinc/71/26/73/606712673.db2.gz ZQYILBZDWHXMBK-ZDUSSCGKSA-N -1 3 387.871 3.936 20 0 GHADHM CCC1(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCC1 ZINC000820962793 606743794 /nfs/dbraw/zinc/74/37/94/606743794.db2.gz ZGVHOJLCDPJRNO-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM CCC1(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCCC1 ZINC000820962793 606743795 /nfs/dbraw/zinc/74/37/95/606743795.db2.gz ZGVHOJLCDPJRNO-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000823367980 606772732 /nfs/dbraw/zinc/77/27/32/606772732.db2.gz PQPHHQLRWYGBBM-KBXCAEBGSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000823367980 606772735 /nfs/dbraw/zinc/77/27/35/606772735.db2.gz PQPHHQLRWYGBBM-KBXCAEBGSA-N -1 3 376.420 3.675 20 0 GHADHM Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822194033 606779399 /nfs/dbraw/zinc/77/93/99/606779399.db2.gz GIDBNNAJIVFYOX-UHFFFAOYSA-N -1 3 392.246 3.808 20 0 GHADHM Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822194033 606779401 /nfs/dbraw/zinc/77/94/01/606779401.db2.gz GIDBNNAJIVFYOX-UHFFFAOYSA-N -1 3 392.246 3.808 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)O1 ZINC000820972983 606787501 /nfs/dbraw/zinc/78/75/01/606787501.db2.gz SNBNYEPDUDWVJJ-DNVCBOLYSA-N -1 3 393.447 3.864 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)O1 ZINC000820972983 606787503 /nfs/dbraw/zinc/78/75/03/606787503.db2.gz SNBNYEPDUDWVJJ-DNVCBOLYSA-N -1 3 393.447 3.864 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)O1 ZINC000820971747 606795910 /nfs/dbraw/zinc/79/59/10/606795910.db2.gz FOBVZXFLBSDUME-FZKQIMNGSA-N -1 3 397.410 3.694 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)O1 ZINC000820971747 606795912 /nfs/dbraw/zinc/79/59/12/606795912.db2.gz FOBVZXFLBSDUME-FZKQIMNGSA-N -1 3 397.410 3.694 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCSC3)c2-c2nnn[n-]2)C1 ZINC000819906305 606808882 /nfs/dbraw/zinc/80/88/82/606808882.db2.gz DRAFUTWWTTVFJS-WDEREUQCSA-N -1 3 391.566 3.771 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCSC3)c2-c2nn[n-]n2)C1 ZINC000819906305 606808884 /nfs/dbraw/zinc/80/88/84/606808884.db2.gz DRAFUTWWTTVFJS-WDEREUQCSA-N -1 3 391.566 3.771 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)CC3CCSCC3)c2-c2nnn[n-]2)C1 ZINC000820727077 606809115 /nfs/dbraw/zinc/80/91/15/606809115.db2.gz GLNQIUBATOOASK-JTQLQIEISA-N -1 3 377.539 3.525 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)CC3CCSCC3)c2-c2nn[n-]n2)C1 ZINC000820727077 606809116 /nfs/dbraw/zinc/80/91/16/606809116.db2.gz GLNQIUBATOOASK-JTQLQIEISA-N -1 3 377.539 3.525 20 0 GHADHM CN(c1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000821619067 606809342 /nfs/dbraw/zinc/80/93/42/606809342.db2.gz ICKTYQRICNDEKC-UHFFFAOYSA-N -1 3 390.491 3.817 20 0 GHADHM CN(c1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821619067 606809344 /nfs/dbraw/zinc/80/93/44/606809344.db2.gz ICKTYQRICNDEKC-UHFFFAOYSA-N -1 3 390.491 3.817 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000822233241 606809782 /nfs/dbraw/zinc/80/97/82/606809782.db2.gz KZLGFACKLFFSCN-CMDGGOBGSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000822233241 606809783 /nfs/dbraw/zinc/80/97/83/606809783.db2.gz KZLGFACKLFFSCN-CMDGGOBGSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822230567 606811339 /nfs/dbraw/zinc/81/13/39/606811339.db2.gz KCAQQBIGFHXPHH-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822230567 606811341 /nfs/dbraw/zinc/81/13/41/606811341.db2.gz KCAQQBIGFHXPHH-LJQANCHMSA-N -1 3 394.454 3.669 20 0 GHADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000820412193 606821675 /nfs/dbraw/zinc/82/16/75/606821675.db2.gz KVSVCKLDSFOKLX-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412193 606821676 /nfs/dbraw/zinc/82/16/76/606821676.db2.gz KVSVCKLDSFOKLX-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]2CCCC[C@H]21 ZINC000823066239 606852262 /nfs/dbraw/zinc/85/22/62/606852262.db2.gz RKTJJQZIUDQNMN-IUODEOHRSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]2CCCC[C@H]21 ZINC000823066239 606852263 /nfs/dbraw/zinc/85/22/63/606852263.db2.gz RKTJJQZIUDQNMN-IUODEOHRSA-N -1 3 391.928 3.793 20 0 GHADHM Cc1ccc(-c2nc3ccccc3n2C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822213943 606862623 /nfs/dbraw/zinc/86/26/23/606862623.db2.gz INTCUPMELVCQGX-GOSISDBHSA-N -1 3 386.415 3.518 20 0 GHADHM Cc1ccc(-c2nc3ccccc3n2C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822213943 606862625 /nfs/dbraw/zinc/86/26/25/606862625.db2.gz INTCUPMELVCQGX-GOSISDBHSA-N -1 3 386.415 3.518 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000822137869 606879735 /nfs/dbraw/zinc/87/97/35/606879735.db2.gz XMKWUFNXGSAUNA-GASCZTMLSA-N -1 3 377.448 3.980 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000822137869 606879736 /nfs/dbraw/zinc/87/97/36/606879736.db2.gz XMKWUFNXGSAUNA-GASCZTMLSA-N -1 3 377.448 3.980 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821449690 606905809 /nfs/dbraw/zinc/90/58/09/606905809.db2.gz WJVCJIOWBXTVHZ-NEPJUHHUSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821449690 606905811 /nfs/dbraw/zinc/90/58/11/606905811.db2.gz WJVCJIOWBXTVHZ-NEPJUHHUSA-N -1 3 380.905 3.658 20 0 GHADHM CCC(=O)Nc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000820836584 606922194 /nfs/dbraw/zinc/92/21/94/606922194.db2.gz BVBYLZRGQMWEDE-UHFFFAOYSA-N -1 3 390.369 3.846 20 0 GHADHM CCC(=O)Nc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000820836584 606922196 /nfs/dbraw/zinc/92/21/96/606922196.db2.gz BVBYLZRGQMWEDE-UHFFFAOYSA-N -1 3 390.369 3.846 20 0 GHADHM FC(F)(F)c1ccc(NC[C@H]2OCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC000822728774 606941220 /nfs/dbraw/zinc/94/12/20/606941220.db2.gz MPHUDLUDXOAAFL-CYBMUJFWSA-N -1 3 381.383 3.673 20 0 GHADHM FC(F)(F)c1ccc(NC[C@H]2OCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC000822728774 606941221 /nfs/dbraw/zinc/94/12/21/606941221.db2.gz MPHUDLUDXOAAFL-CYBMUJFWSA-N -1 3 381.383 3.673 20 0 GHADHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823400290 606947674 /nfs/dbraw/zinc/94/76/74/606947674.db2.gz ATAHLRFLLGNYML-KBPBESRZSA-N -1 3 398.385 3.548 20 0 GHADHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823400290 606947675 /nfs/dbraw/zinc/94/76/75/606947675.db2.gz ATAHLRFLLGNYML-KBPBESRZSA-N -1 3 398.385 3.548 20 0 GHADHM C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495600 606953362 /nfs/dbraw/zinc/95/33/62/606953362.db2.gz IMVPTZCORZDJHL-AWEZNQCLSA-N -1 3 395.463 3.676 20 0 GHADHM C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495600 606953363 /nfs/dbraw/zinc/95/33/63/606953363.db2.gz IMVPTZCORZDJHL-AWEZNQCLSA-N -1 3 395.463 3.676 20 0 GHADHM CCOCCC1(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCCC1 ZINC000821374282 606957046 /nfs/dbraw/zinc/95/70/46/606957046.db2.gz TYLQJGUEQNCSPY-UHFFFAOYSA-N -1 3 399.539 3.838 20 0 GHADHM CCOCCC1(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCCC1 ZINC000821374282 606957047 /nfs/dbraw/zinc/95/70/47/606957047.db2.gz TYLQJGUEQNCSPY-UHFFFAOYSA-N -1 3 399.539 3.838 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc(Cl)c1F ZINC000821699392 606958080 /nfs/dbraw/zinc/95/80/80/606958080.db2.gz OMORIDIEYFUQOI-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc(Cl)c1F ZINC000821699392 606958081 /nfs/dbraw/zinc/95/80/81/606958081.db2.gz OMORIDIEYFUQOI-UHFFFAOYSA-N -1 3 383.166 3.540 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000823331874 606967101 /nfs/dbraw/zinc/96/71/01/606967101.db2.gz IBVIJXXVDXKQAB-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000823331874 606967103 /nfs/dbraw/zinc/96/71/03/606967103.db2.gz IBVIJXXVDXKQAB-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CN(C(=O)c1ccc(C2SCCS2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000821573497 606971446 /nfs/dbraw/zinc/97/14/46/606971446.db2.gz RXBADTIZFZMXKS-UHFFFAOYSA-N -1 3 383.502 3.622 20 0 GHADHM CN(C(=O)c1ccc(C2SCCS2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000821573497 606971448 /nfs/dbraw/zinc/97/14/48/606971448.db2.gz RXBADTIZFZMXKS-UHFFFAOYSA-N -1 3 383.502 3.622 20 0 GHADHM Cc1cccc(CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)Cc2ccccn2)c1 ZINC000822304200 606975436 /nfs/dbraw/zinc/97/54/36/606975436.db2.gz SBBABUFZQAXJRR-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM Cc1cccc(CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccn2)c1 ZINC000822304200 606975438 /nfs/dbraw/zinc/97/54/38/606975438.db2.gz SBBABUFZQAXJRR-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822207280 606987438 /nfs/dbraw/zinc/98/74/38/606987438.db2.gz QHHPPRVQAKGALZ-ZDUSSCGKSA-N -1 3 382.493 3.868 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822207280 606987439 /nfs/dbraw/zinc/98/74/39/606987439.db2.gz QHHPPRVQAKGALZ-ZDUSSCGKSA-N -1 3 382.493 3.868 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822419976 606990786 /nfs/dbraw/zinc/99/07/86/606990786.db2.gz YBWJMJSCBKKZPF-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822419976 606990788 /nfs/dbraw/zinc/99/07/88/606990788.db2.gz YBWJMJSCBKKZPF-UHFFFAOYSA-N -1 3 391.822 3.538 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820875973 607002100 /nfs/dbraw/zinc/00/21/00/607002100.db2.gz JLMRPBVWWKAUET-AWEZNQCLSA-N -1 3 395.463 3.840 20 0 GHADHM CC[C@H](C)Oc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820875973 607002102 /nfs/dbraw/zinc/00/21/02/607002102.db2.gz JLMRPBVWWKAUET-AWEZNQCLSA-N -1 3 395.463 3.840 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820294856 607003448 /nfs/dbraw/zinc/00/34/48/607003448.db2.gz VKBORZXTBYDXAB-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820294856 607003451 /nfs/dbraw/zinc/00/34/51/607003451.db2.gz VKBORZXTBYDXAB-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM Cc1ccc([C@@H](NC(=O)CSc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822230741 607014177 /nfs/dbraw/zinc/01/41/77/607014177.db2.gz OXYJGGHCNYKOAW-LJQANCHMSA-N -1 3 379.489 3.535 20 0 GHADHM Cc1ccc([C@@H](NC(=O)CSc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822230741 607014178 /nfs/dbraw/zinc/01/41/78/607014178.db2.gz OXYJGGHCNYKOAW-LJQANCHMSA-N -1 3 379.489 3.535 20 0 GHADHM CSCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821969899 607024687 /nfs/dbraw/zinc/02/46/87/607024687.db2.gz GRDDJCBTPSNAKE-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM CSCc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821969899 607024689 /nfs/dbraw/zinc/02/46/89/607024689.db2.gz GRDDJCBTPSNAKE-UHFFFAOYSA-N -1 3 383.477 3.526 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000822221154 607029364 /nfs/dbraw/zinc/02/93/64/607029364.db2.gz COVIKKWJFPIAGD-OAHLLOKOSA-N -1 3 387.443 3.585 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000822221154 607029366 /nfs/dbraw/zinc/02/93/66/607029366.db2.gz COVIKKWJFPIAGD-OAHLLOKOSA-N -1 3 387.443 3.585 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1-c1ncco1 ZINC000822248902 607074685 /nfs/dbraw/zinc/07/46/85/607074685.db2.gz SQJUBEVUGZFSCF-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1-c1ncco1 ZINC000822248902 607074687 /nfs/dbraw/zinc/07/46/87/607074687.db2.gz SQJUBEVUGZFSCF-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1cccc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822299285 607074722 /nfs/dbraw/zinc/07/47/22/607074722.db2.gz DJUIDSTTXMYYFQ-INIZCTEOSA-N -1 3 386.406 3.509 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cc2ccccc2o1 ZINC000820005710 607080620 /nfs/dbraw/zinc/08/06/20/607080620.db2.gz XATNYUKZVQIWBP-UHFFFAOYSA-N -1 3 378.388 3.514 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc2ccccc2o1 ZINC000820005710 607080621 /nfs/dbraw/zinc/08/06/21/607080621.db2.gz XATNYUKZVQIWBP-UHFFFAOYSA-N -1 3 378.388 3.514 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(Oc2nccs2)c1 ZINC000823417821 607085025 /nfs/dbraw/zinc/08/50/25/607085025.db2.gz JPHUHTYTZIRKJR-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(Oc2nccs2)c1 ZINC000823417821 607085026 /nfs/dbraw/zinc/08/50/26/607085026.db2.gz JPHUHTYTZIRKJR-UHFFFAOYSA-N -1 3 397.391 3.612 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913168 607087258 /nfs/dbraw/zinc/08/72/58/607087258.db2.gz DCSAOYSWYZTNPF-HXUWFJFHSA-N -1 3 377.492 3.669 20 0 GHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913168 607087259 /nfs/dbraw/zinc/08/72/59/607087259.db2.gz DCSAOYSWYZTNPF-HXUWFJFHSA-N -1 3 377.492 3.669 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820768022 607116096 /nfs/dbraw/zinc/11/60/96/607116096.db2.gz LEFXVCWVFCVZNA-ZUZCIYMTSA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820768022 607116098 /nfs/dbraw/zinc/11/60/98/607116098.db2.gz LEFXVCWVFCVZNA-ZUZCIYMTSA-N -1 3 395.410 3.913 20 0 GHADHM Cc1coc(-c2ccc(C)c(NCCOc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822403812 607125863 /nfs/dbraw/zinc/12/58/63/607125863.db2.gz VKXHPRDYHVGDPT-UHFFFAOYSA-N -1 3 376.420 3.629 20 0 GHADHM Cc1coc(-c2ccc(C)c(NCCOc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822403812 607125864 /nfs/dbraw/zinc/12/58/64/607125864.db2.gz VKXHPRDYHVGDPT-UHFFFAOYSA-N -1 3 376.420 3.629 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CC12CCC2 ZINC000823350247 607126000 /nfs/dbraw/zinc/12/60/00/607126000.db2.gz FZFNWJKZUHZMLN-GOSISDBHSA-N -1 3 375.432 3.574 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CC12CCC2 ZINC000823350247 607126002 /nfs/dbraw/zinc/12/60/02/607126002.db2.gz FZFNWJKZUHZMLN-GOSISDBHSA-N -1 3 375.432 3.574 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000823078446 607133625 /nfs/dbraw/zinc/13/36/25/607133625.db2.gz NHISXSVUCHGGOE-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000823078446 607133627 /nfs/dbraw/zinc/13/36/27/607133627.db2.gz NHISXSVUCHGGOE-UHFFFAOYSA-N -1 3 388.258 3.522 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(OCCF)c1 ZINC000820122019 607138857 /nfs/dbraw/zinc/13/88/57/607138857.db2.gz XLEGEXFLLDYNEP-UHFFFAOYSA-N -1 3 398.442 3.658 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(OCCF)c1 ZINC000820122019 607138859 /nfs/dbraw/zinc/13/88/59/607138859.db2.gz XLEGEXFLLDYNEP-UHFFFAOYSA-N -1 3 398.442 3.658 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820937806 607148615 /nfs/dbraw/zinc/14/86/15/607148615.db2.gz DIHTURJTPHRPOX-CQSZACIVSA-N -1 3 389.525 3.873 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820937806 607148617 /nfs/dbraw/zinc/14/86/17/607148617.db2.gz DIHTURJTPHRPOX-CQSZACIVSA-N -1 3 389.525 3.873 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820838220 607153147 /nfs/dbraw/zinc/15/31/47/607153147.db2.gz QLOKJKWXDKICHP-UHFFFAOYSA-N -1 3 377.448 3.762 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820838220 607153148 /nfs/dbraw/zinc/15/31/48/607153148.db2.gz QLOKJKWXDKICHP-UHFFFAOYSA-N -1 3 377.448 3.762 20 0 GHADHM Cc1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1F ZINC000822284775 607155999 /nfs/dbraw/zinc/15/59/99/607155999.db2.gz ZOQSYHDSIKPXLB-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1F ZINC000822284775 607156000 /nfs/dbraw/zinc/15/60/00/607156000.db2.gz ZOQSYHDSIKPXLB-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000025382756 607191196 /nfs/dbraw/zinc/19/11/96/607191196.db2.gz SOQUAFWGGHVYPJ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000025382756 607191197 /nfs/dbraw/zinc/19/11/97/607191197.db2.gz SOQUAFWGGHVYPJ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)c2)c1 ZINC000822284783 607238450 /nfs/dbraw/zinc/23/84/50/607238450.db2.gz ZXTCCAHYJZUTKX-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)c2)c1 ZINC000822284783 607238451 /nfs/dbraw/zinc/23/84/51/607238451.db2.gz ZXTCCAHYJZUTKX-UHFFFAOYSA-N -1 3 388.406 3.653 20 0 GHADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000826261345 607776662 /nfs/dbraw/zinc/77/66/62/607776662.db2.gz AZMZSEGVXUPURJ-UHFFFAOYSA-N -1 3 392.806 3.505 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H](C)c2ccc(F)cc2F)s1 ZINC000825694184 607785432 /nfs/dbraw/zinc/78/54/32/607785432.db2.gz MTGTUWAWWRSZID-SECBINFHSA-N -1 3 377.420 3.901 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H](C)c2ccc(F)cc2F)s1 ZINC000825694184 607785433 /nfs/dbraw/zinc/78/54/33/607785433.db2.gz MTGTUWAWWRSZID-SECBINFHSA-N -1 3 377.420 3.901 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1-c1nnn[n-]1 ZINC000825825371 607786512 /nfs/dbraw/zinc/78/65/12/607786512.db2.gz AQYYUTAGLHPKPR-UHFFFAOYSA-N -1 3 389.440 3.764 20 0 GHADHM CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1-c1nn[n-]n1 ZINC000825825371 607786513 /nfs/dbraw/zinc/78/65/13/607786513.db2.gz AQYYUTAGLHPKPR-UHFFFAOYSA-N -1 3 389.440 3.764 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812944 607787350 /nfs/dbraw/zinc/78/73/50/607787350.db2.gz YGCZDXCKLRUFKO-STQMWFEESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812944 607787351 /nfs/dbraw/zinc/78/73/51/607787351.db2.gz YGCZDXCKLRUFKO-STQMWFEESA-N -1 3 388.258 3.940 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826475415 607791952 /nfs/dbraw/zinc/79/19/52/607791952.db2.gz FUJZTUGPSAJMTB-UHFFFAOYSA-N -1 3 380.260 3.828 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826475415 607791953 /nfs/dbraw/zinc/79/19/53/607791953.db2.gz FUJZTUGPSAJMTB-UHFFFAOYSA-N -1 3 380.260 3.828 20 0 GHADHM CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380071 607796874 /nfs/dbraw/zinc/79/68/74/607796874.db2.gz NRXMKHFDNRLOKQ-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380071 607796875 /nfs/dbraw/zinc/79/68/75/607796875.db2.gz NRXMKHFDNRLOKQ-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)c1cc2ccc(F)cc2nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379254 607798360 /nfs/dbraw/zinc/79/83/60/607798360.db2.gz DREUHYAHBWPJOO-UHFFFAOYSA-N -1 3 376.395 3.529 20 0 GHADHM CCN(C(=O)c1cc2ccc(F)cc2nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379254 607798361 /nfs/dbraw/zinc/79/83/61/607798361.db2.gz DREUHYAHBWPJOO-UHFFFAOYSA-N -1 3 376.395 3.529 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824457365 607816090 /nfs/dbraw/zinc/81/60/90/607816090.db2.gz KNGFNRVJBFMMPP-AWEZNQCLSA-N -1 3 395.894 3.890 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824457365 607816091 /nfs/dbraw/zinc/81/60/91/607816091.db2.gz KNGFNRVJBFMMPP-AWEZNQCLSA-N -1 3 395.894 3.890 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCCSC(C)(C)C)cc1-c1nnn[n-]1 ZINC000824323897 607822303 /nfs/dbraw/zinc/82/23/03/607822303.db2.gz CNYQQAFXQSGOAH-UHFFFAOYSA-N -1 3 377.514 3.904 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCCSC(C)(C)C)cc1-c1nn[n-]n1 ZINC000824323897 607822304 /nfs/dbraw/zinc/82/23/04/607822304.db2.gz CNYQQAFXQSGOAH-UHFFFAOYSA-N -1 3 377.514 3.904 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826291037 607825918 /nfs/dbraw/zinc/82/59/18/607825918.db2.gz MKXVWOMOBZTZAA-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826291037 607825919 /nfs/dbraw/zinc/82/59/19/607825919.db2.gz MKXVWOMOBZTZAA-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM COc1ccc(CCCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826192095 607836984 /nfs/dbraw/zinc/83/69/84/607836984.db2.gz ZRGMHVUKHONXCS-AWEZNQCLSA-N -1 3 396.447 3.511 20 0 GHADHM COc1ccc(CCCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826192095 607836985 /nfs/dbraw/zinc/83/69/85/607836985.db2.gz ZRGMHVUKHONXCS-AWEZNQCLSA-N -1 3 396.447 3.511 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000826468449 607844254 /nfs/dbraw/zinc/84/42/54/607844254.db2.gz QMYGSPCZJBUSKW-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCCCc1nc(-c2ccncc2)no1 ZINC000826350744 607845862 /nfs/dbraw/zinc/84/58/62/607845862.db2.gz JDZLBSIJVYXTSQ-UHFFFAOYSA-N -1 3 399.867 3.690 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCCCc1nc(-c2ccncc2)no1 ZINC000826350744 607845863 /nfs/dbraw/zinc/84/58/63/607845863.db2.gz JDZLBSIJVYXTSQ-UHFFFAOYSA-N -1 3 399.867 3.690 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000824053270 607918673 /nfs/dbraw/zinc/91/86/73/607918673.db2.gz XBIWNJFQYOUVBZ-OAHLLOKOSA-N -1 3 392.459 3.640 20 0 GHADHM C[C@@H](C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824053270 607918674 /nfs/dbraw/zinc/91/86/74/607918674.db2.gz XBIWNJFQYOUVBZ-OAHLLOKOSA-N -1 3 392.459 3.640 20 0 GHADHM C[C@@H](Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662565 607930011 /nfs/dbraw/zinc/93/00/11/607930011.db2.gz NEYUMKUGQVKBED-OAHLLOKOSA-N -1 3 383.459 3.955 20 0 GHADHM C[C@@H](Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662565 607930012 /nfs/dbraw/zinc/93/00/12/607930012.db2.gz NEYUMKUGQVKBED-OAHLLOKOSA-N -1 3 383.459 3.955 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824162420 607951497 /nfs/dbraw/zinc/95/14/97/607951497.db2.gz HFRISQQFQGNIPQ-UHFFFAOYSA-N -1 3 381.867 3.678 20 0 GHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824162420 607951498 /nfs/dbraw/zinc/95/14/98/607951498.db2.gz HFRISQQFQGNIPQ-UHFFFAOYSA-N -1 3 381.867 3.678 20 0 GHADHM Cc1sc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c(-c2nnn[n-]2)c1C ZINC000826350316 607962727 /nfs/dbraw/zinc/96/27/27/607962727.db2.gz QHONHOXJYUBKFL-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1sc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c(-c2nn[n-]n2)c1C ZINC000826350316 607962728 /nfs/dbraw/zinc/96/27/28/607962728.db2.gz QHONHOXJYUBKFL-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826208073 607965758 /nfs/dbraw/zinc/96/57/58/607965758.db2.gz RKPMOQQMWPBDAH-IUODEOHRSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(CSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826208073 607965759 /nfs/dbraw/zinc/96/57/59/607965759.db2.gz RKPMOQQMWPBDAH-IUODEOHRSA-N -1 3 399.524 3.819 20 0 GHADHM C[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479701 607969539 /nfs/dbraw/zinc/96/95/39/607969539.db2.gz PWFNRFFXYQQRIY-CYBMUJFWSA-N -1 3 394.866 3.742 20 0 GHADHM C[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479701 607969540 /nfs/dbraw/zinc/96/95/40/607969540.db2.gz PWFNRFFXYQQRIY-CYBMUJFWSA-N -1 3 394.866 3.742 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000825957942 607970773 /nfs/dbraw/zinc/97/07/73/607970773.db2.gz KBEYGWTZKRCWMM-UHFFFAOYSA-N -1 3 394.866 3.524 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000825957942 607970774 /nfs/dbraw/zinc/97/07/74/607970774.db2.gz KBEYGWTZKRCWMM-UHFFFAOYSA-N -1 3 394.866 3.524 20 0 GHADHM Cc1ccccc1CN(Cc1cccnc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826307203 607987462 /nfs/dbraw/zinc/98/74/62/607987462.db2.gz YSYQZZJLAAYBFV-UHFFFAOYSA-N -1 3 391.866 3.825 20 0 GHADHM Cc1ccccc1CN(Cc1cccnc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826307203 607987463 /nfs/dbraw/zinc/98/74/63/607987463.db2.gz YSYQZZJLAAYBFV-UHFFFAOYSA-N -1 3 391.866 3.825 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826273470 608006405 /nfs/dbraw/zinc/00/64/05/608006405.db2.gz GCRSJJUKUHTVBJ-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826273470 608006406 /nfs/dbraw/zinc/00/64/06/608006406.db2.gz GCRSJJUKUHTVBJ-CYBMUJFWSA-N -1 3 389.419 3.713 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000824347865 608008252 /nfs/dbraw/zinc/00/82/52/608008252.db2.gz PXAUCAWXBNWYND-IBGZPJMESA-N -1 3 391.475 3.733 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000824347865 608008253 /nfs/dbraw/zinc/00/82/53/608008253.db2.gz PXAUCAWXBNWYND-IBGZPJMESA-N -1 3 391.475 3.733 20 0 GHADHM C[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824429507 608016828 /nfs/dbraw/zinc/01/68/28/608016828.db2.gz YLMXWOHDWMIONZ-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM C[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824429507 608016829 /nfs/dbraw/zinc/01/68/29/608016829.db2.gz YLMXWOHDWMIONZ-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM c1nc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)oc1C1CC1 ZINC000826522919 608019303 /nfs/dbraw/zinc/01/93/03/608019303.db2.gz SZPGEHVUMXQPPG-UHFFFAOYSA-N -1 3 375.392 3.532 20 0 GHADHM CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1ccccc1-c1nnn[n-]1 ZINC000825825896 608071518 /nfs/dbraw/zinc/07/15/18/608071518.db2.gz NHKDKWRNJWYBBD-UHFFFAOYSA-N -1 3 395.369 3.898 20 0 GHADHM CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1ccccc1-c1nn[n-]n1 ZINC000825825896 608071519 /nfs/dbraw/zinc/07/15/19/608071519.db2.gz NHKDKWRNJWYBBD-UHFFFAOYSA-N -1 3 395.369 3.898 20 0 GHADHM CC(C)c1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000824347876 608072332 /nfs/dbraw/zinc/07/23/32/608072332.db2.gz QLULIMVUHSVUHM-IBGZPJMESA-N -1 3 392.463 3.596 20 0 GHADHM CC(C)c1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000824347876 608072333 /nfs/dbraw/zinc/07/23/33/608072333.db2.gz QLULIMVUHSVUHM-IBGZPJMESA-N -1 3 392.463 3.596 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000826236317 608074135 /nfs/dbraw/zinc/07/41/35/608074135.db2.gz HDHWAWPZNJPFFK-SECBINFHSA-N -1 3 392.797 3.989 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000826236317 608074136 /nfs/dbraw/zinc/07/41/36/608074136.db2.gz HDHWAWPZNJPFFK-SECBINFHSA-N -1 3 392.797 3.989 20 0 GHADHM COC[C@H](C)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826149240 608075765 /nfs/dbraw/zinc/07/57/65/608075765.db2.gz CRFZSPCJTVTNRL-NSHDSACASA-N -1 3 388.811 3.504 20 0 GHADHM COC[C@H](C)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826149240 608075766 /nfs/dbraw/zinc/07/57/66/608075766.db2.gz CRFZSPCJTVTNRL-NSHDSACASA-N -1 3 388.811 3.504 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824764491 608098677 /nfs/dbraw/zinc/09/86/77/608098677.db2.gz WPWXPGGIYCQFLC-LLVKDONJSA-N -1 3 396.501 3.620 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824764491 608098678 /nfs/dbraw/zinc/09/86/78/608098678.db2.gz WPWXPGGIYCQFLC-LLVKDONJSA-N -1 3 396.501 3.620 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1cc(C)cc(C)c1 ZINC000825797162 608110171 /nfs/dbraw/zinc/11/01/71/608110171.db2.gz WODONYPEDWHWJE-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1cc(C)cc(C)c1 ZINC000825797162 608110172 /nfs/dbraw/zinc/11/01/72/608110172.db2.gz WODONYPEDWHWJE-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520963 608115051 /nfs/dbraw/zinc/11/50/51/608115051.db2.gz GSYXOXWYRICWNR-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520963 608115052 /nfs/dbraw/zinc/11/50/52/608115052.db2.gz GSYXOXWYRICWNR-MRXNPFEDSA-N -1 3 398.470 3.970 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826401557 608128691 /nfs/dbraw/zinc/12/86/91/608128691.db2.gz BMXVWRFKNIURMN-HLRDLLSLSA-N -1 3 382.807 3.600 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000826401557 608128692 /nfs/dbraw/zinc/12/86/92/608128692.db2.gz BMXVWRFKNIURMN-HLRDLLSLSA-N -1 3 382.807 3.600 20 0 GHADHM Fc1cccc(F)c1-c1csc(CSc2cc(-c3nnn[n-]3)ccn2)n1 ZINC000826377522 608144151 /nfs/dbraw/zinc/14/41/51/608144151.db2.gz VOFDNFSKYYKOAJ-UHFFFAOYSA-N -1 3 388.428 3.956 20 0 GHADHM Fc1cccc(F)c1-c1csc(CSc2cc(-c3nn[n-]n3)ccn2)n1 ZINC000826377522 608144152 /nfs/dbraw/zinc/14/41/52/608144152.db2.gz VOFDNFSKYYKOAJ-UHFFFAOYSA-N -1 3 388.428 3.956 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826405780 608151168 /nfs/dbraw/zinc/15/11/68/608151168.db2.gz TZXOIGDTJYGVKD-UHFFFAOYSA-N -1 3 396.398 3.585 20 0 GHADHM O=C(CCCC(F)(F)F)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826405780 608151170 /nfs/dbraw/zinc/15/11/70/608151170.db2.gz TZXOIGDTJYGVKD-UHFFFAOYSA-N -1 3 396.398 3.585 20 0 GHADHM C[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824473287 608159428 /nfs/dbraw/zinc/15/94/28/608159428.db2.gz ZQHGWLHQIFCTCG-CYBMUJFWSA-N -1 3 381.867 3.720 20 0 GHADHM C[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824473287 608159429 /nfs/dbraw/zinc/15/94/29/608159429.db2.gz ZQHGWLHQIFCTCG-CYBMUJFWSA-N -1 3 381.867 3.720 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1c(Cl)cccc1N1CCCC1 ZINC000826373158 608160695 /nfs/dbraw/zinc/16/06/95/608160695.db2.gz BNIAVCSGFIHDSS-UHFFFAOYSA-N -1 3 386.862 3.549 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc2ccccc21 ZINC000825796964 608179654 /nfs/dbraw/zinc/17/96/54/608179654.db2.gz RQLWMQYMWCDIPW-UHFFFAOYSA-N -1 3 383.415 3.642 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc2ccccc21 ZINC000825796964 608179655 /nfs/dbraw/zinc/17/96/55/608179655.db2.gz RQLWMQYMWCDIPW-UHFFFAOYSA-N -1 3 383.415 3.642 20 0 GHADHM Cc1ccc2ncnc(Oc3ccc(Br)cc3-c3nnn[n-]3)c2c1 ZINC000826295600 608191331 /nfs/dbraw/zinc/19/13/31/608191331.db2.gz OSXDZPPFUAKXHK-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM Cc1ccc2ncnc(Oc3ccc(Br)cc3-c3nn[n-]n3)c2c1 ZINC000826295600 608191332 /nfs/dbraw/zinc/19/13/32/608191332.db2.gz OSXDZPPFUAKXHK-UHFFFAOYSA-N -1 3 383.209 3.673 20 0 GHADHM C[C@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccco1 ZINC000826232413 608192048 /nfs/dbraw/zinc/19/20/48/608192048.db2.gz JYCQARBAYFPDEX-LBPRGKRZSA-N -1 3 380.360 3.550 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCC1CCCCC1 ZINC000824756491 608206838 /nfs/dbraw/zinc/20/68/38/608206838.db2.gz OGLDBCNXXCECHC-NSHDSACASA-N -1 3 379.917 3.697 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCC1CCCCC1 ZINC000824756491 608206840 /nfs/dbraw/zinc/20/68/40/608206840.db2.gz OGLDBCNXXCECHC-NSHDSACASA-N -1 3 379.917 3.697 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1OC ZINC000826178333 608223886 /nfs/dbraw/zinc/22/38/86/608223886.db2.gz SXPMRICEFPEMEV-CYBMUJFWSA-N -1 3 390.447 3.914 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1OC ZINC000826178333 608223887 /nfs/dbraw/zinc/22/38/87/608223887.db2.gz SXPMRICEFPEMEV-CYBMUJFWSA-N -1 3 390.447 3.914 20 0 GHADHM c1ccc(CCOCCCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826521253 608224261 /nfs/dbraw/zinc/22/42/61/608224261.db2.gz GFBSUFJOLHHFEH-UHFFFAOYSA-N -1 3 388.475 3.866 20 0 GHADHM c1ccc(CCOCCCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826521253 608224263 /nfs/dbraw/zinc/22/42/63/608224263.db2.gz GFBSUFJOLHHFEH-UHFFFAOYSA-N -1 3 388.475 3.866 20 0 GHADHM Cc1cccc([C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccn2)c1 ZINC000826296845 608231080 /nfs/dbraw/zinc/23/10/80/608231080.db2.gz LFQCCHPGHJAFDZ-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1cccc([C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccn2)c1 ZINC000826296845 608231081 /nfs/dbraw/zinc/23/10/81/608231081.db2.gz LFQCCHPGHJAFDZ-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1cnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)s1 ZINC000826318262 608234958 /nfs/dbraw/zinc/23/49/58/608234958.db2.gz AMQNBFNVPRDXIN-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1cnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)s1 ZINC000826318262 608234960 /nfs/dbraw/zinc/23/49/60/608234960.db2.gz AMQNBFNVPRDXIN-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000826190179 608239833 /nfs/dbraw/zinc/23/98/33/608239833.db2.gz SDZOUMWABVXJPC-RNODOKPDSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@H](OC)[C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000826190179 608239835 /nfs/dbraw/zinc/23/98/35/608239835.db2.gz SDZOUMWABVXJPC-RNODOKPDSA-N -1 3 390.447 3.612 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825194149 608245863 /nfs/dbraw/zinc/24/58/63/608245863.db2.gz PDTXHXJXOCHLDF-KXBFYZLASA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000825192799 608245939 /nfs/dbraw/zinc/24/59/39/608245939.db2.gz IWSORFPEDAOHQF-CRAIPNDOSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000825192799 608245940 /nfs/dbraw/zinc/24/59/40/608245940.db2.gz IWSORFPEDAOHQF-CRAIPNDOSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825194147 608245944 /nfs/dbraw/zinc/24/59/44/608245944.db2.gz PDTXHXJXOCHLDF-DNVCBOLYSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825194965 608246392 /nfs/dbraw/zinc/24/63/92/608246392.db2.gz TYLGJFXDPCOZMZ-DNVCBOLYSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825194965 608246393 /nfs/dbraw/zinc/24/63/93/608246393.db2.gz TYLGJFXDPCOZMZ-DNVCBOLYSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825194392 608260307 /nfs/dbraw/zinc/26/03/07/608260307.db2.gz QILGCDGXRRMOQY-BBRMVZONSA-N -1 3 393.451 3.849 20 0 GHADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825194392 608260308 /nfs/dbraw/zinc/26/03/08/608260308.db2.gz QILGCDGXRRMOQY-BBRMVZONSA-N -1 3 393.451 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(Nc2ccccc2)s1 ZINC000826173708 608262880 /nfs/dbraw/zinc/26/28/80/608262880.db2.gz QRYXXYPCRCNEGQ-UHFFFAOYSA-N -1 3 397.489 3.763 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(Nc2ccccc2)s1 ZINC000826173708 608262882 /nfs/dbraw/zinc/26/28/82/608262882.db2.gz QRYXXYPCRCNEGQ-UHFFFAOYSA-N -1 3 397.489 3.763 20 0 GHADHM CCCCOc1ccc([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)cc1OC ZINC000825291161 608275554 /nfs/dbraw/zinc/27/55/54/608275554.db2.gz MUXITICFNSIUNP-CQSZACIVSA-N -1 3 382.468 3.931 20 0 GHADHM CCCCOc1ccc([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)cc1OC ZINC000825291161 608275555 /nfs/dbraw/zinc/27/55/55/608275555.db2.gz MUXITICFNSIUNP-CQSZACIVSA-N -1 3 382.468 3.931 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928106 608279625 /nfs/dbraw/zinc/27/96/25/608279625.db2.gz RDEFTXKLBUDOGW-VQIMIIECSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928106 608279627 /nfs/dbraw/zinc/27/96/27/608279627.db2.gz RDEFTXKLBUDOGW-VQIMIIECSA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824929455 608309486 /nfs/dbraw/zinc/30/94/86/608309486.db2.gz XPIMEXPIGZLGLO-APWZRJJASA-N -1 3 397.523 3.912 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824929455 608309488 /nfs/dbraw/zinc/30/94/88/608309488.db2.gz XPIMEXPIGZLGLO-APWZRJJASA-N -1 3 397.523 3.912 20 0 GHADHM Fc1c(CSc2nc(C3CC3)nn2-c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371888 608397027 /nfs/dbraw/zinc/39/70/27/608397027.db2.gz YCVIKYQDEUVLNN-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1c(CSc2nc(C3CC3)nn2-c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826371888 608397028 /nfs/dbraw/zinc/39/70/28/608397028.db2.gz YCVIKYQDEUVLNN-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Clc1ccc(C[C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccn2)cc1 ZINC000826352140 608451846 /nfs/dbraw/zinc/45/18/46/608451846.db2.gz OZICQLLIDAAMBV-QGZVFWFLSA-N -1 3 380.839 3.582 20 0 GHADHM Clc1ccc(C[C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccn2)cc1 ZINC000826352140 608451848 /nfs/dbraw/zinc/45/18/48/608451848.db2.gz OZICQLLIDAAMBV-QGZVFWFLSA-N -1 3 380.839 3.582 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc2cccnc21 ZINC000825332571 608456114 /nfs/dbraw/zinc/45/61/14/608456114.db2.gz ITVKVSYLUVCGBV-UHFFFAOYSA-N -1 3 391.410 3.628 20 0 GHADHM C[C@H](NCc1csc(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626067 608461087 /nfs/dbraw/zinc/46/10/87/608461087.db2.gz LRSFUYRGIPSNGH-AWEZNQCLSA-N -1 3 376.489 3.765 20 0 GHADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826373379 608471337 /nfs/dbraw/zinc/47/13/37/608471337.db2.gz JZYAGOGINALUHM-CQSZACIVSA-N -1 3 383.324 3.928 20 0 GHADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826373379 608471338 /nfs/dbraw/zinc/47/13/38/608471338.db2.gz JZYAGOGINALUHM-CQSZACIVSA-N -1 3 383.324 3.928 20 0 GHADHM Cc1cc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cnc1Cl ZINC000826269927 608472602 /nfs/dbraw/zinc/47/26/02/608472602.db2.gz CLUKBGYFTYKIJB-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM Cc1cc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cnc1Cl ZINC000826269927 608472604 /nfs/dbraw/zinc/47/26/04/608472604.db2.gz CLUKBGYFTYKIJB-UHFFFAOYSA-N -1 3 395.854 3.545 20 0 GHADHM COc1nc2ccccc2cc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826221861 608519004 /nfs/dbraw/zinc/51/90/04/608519004.db2.gz YRRDPQQXXVIKMA-UHFFFAOYSA-N -1 3 386.459 3.588 20 0 GHADHM c1ccc([C@H](CC2CC2)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826520944 608528698 /nfs/dbraw/zinc/52/86/98/608528698.db2.gz VUDFZIAHWAZMQQ-SFHVURJKSA-N -1 3 387.447 3.548 20 0 GHADHM c1ccc([C@H](CC2CC2)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826520944 608528699 /nfs/dbraw/zinc/52/86/99/608528699.db2.gz VUDFZIAHWAZMQQ-SFHVURJKSA-N -1 3 387.447 3.548 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454802 608572556 /nfs/dbraw/zinc/57/25/56/608572556.db2.gz LTWVGUOUEFSPRH-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454802 608572558 /nfs/dbraw/zinc/57/25/58/608572558.db2.gz LTWVGUOUEFSPRH-UHFFFAOYSA-N -1 3 382.855 3.763 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1 ZINC000825638511 608598550 /nfs/dbraw/zinc/59/85/50/608598550.db2.gz MMSBFCOOLYKDHK-UHFFFAOYSA-N -1 3 389.459 3.503 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1 ZINC000825638511 608598552 /nfs/dbraw/zinc/59/85/52/608598552.db2.gz MMSBFCOOLYKDHK-UHFFFAOYSA-N -1 3 389.459 3.503 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1Cl ZINC000826351771 608675363 /nfs/dbraw/zinc/67/53/63/608675363.db2.gz ZUTZKBXGWGVKPJ-HNNXBMFYSA-N -1 3 396.303 3.809 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)cc1Cl ZINC000826351771 608675365 /nfs/dbraw/zinc/67/53/65/608675365.db2.gz ZUTZKBXGWGVKPJ-HNNXBMFYSA-N -1 3 396.303 3.809 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000826251256 608821654 /nfs/dbraw/zinc/82/16/54/608821654.db2.gz JXMFFKBYNYQROL-INIZCTEOSA-N -1 3 377.429 3.578 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000826251256 608821659 /nfs/dbraw/zinc/82/16/59/608821659.db2.gz JXMFFKBYNYQROL-INIZCTEOSA-N -1 3 377.429 3.578 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H](C1CCCCC1)C(F)(F)F ZINC000826408780 608826619 /nfs/dbraw/zinc/82/66/19/608826619.db2.gz UXNLIPWVYDGVLY-MRXNPFEDSA-N -1 3 382.386 3.854 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@H](C1CCCCC1)C(F)(F)F ZINC000826408780 608826621 /nfs/dbraw/zinc/82/66/21/608826621.db2.gz UXNLIPWVYDGVLY-MRXNPFEDSA-N -1 3 382.386 3.854 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826427392 608827261 /nfs/dbraw/zinc/82/72/61/608827261.db2.gz NUZLGUSMCPLAQF-CQSZACIVSA-N -1 3 393.394 3.828 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826427392 608827262 /nfs/dbraw/zinc/82/72/62/608827262.db2.gz NUZLGUSMCPLAQF-CQSZACIVSA-N -1 3 393.394 3.828 20 0 GHADHM Fc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(OC2CCCC2)c1 ZINC000826375354 608861275 /nfs/dbraw/zinc/86/12/75/608861275.db2.gz KBTGHKZIYZLGEI-UHFFFAOYSA-N -1 3 393.426 3.587 20 0 GHADHM Fc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(OC2CCCC2)c1 ZINC000826375354 608861280 /nfs/dbraw/zinc/86/12/80/608861280.db2.gz KBTGHKZIYZLGEI-UHFFFAOYSA-N -1 3 393.426 3.587 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826352615 608871899 /nfs/dbraw/zinc/87/18/99/608871899.db2.gz HYGHDGDUIXSIDP-KRWDZBQOSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826352615 608871905 /nfs/dbraw/zinc/87/19/05/608871905.db2.gz HYGHDGDUIXSIDP-KRWDZBQOSA-N -1 3 385.855 3.690 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)nn1[C@H](C)C1CC1 ZINC000826261165 609141709 /nfs/dbraw/zinc/14/17/09/609141709.db2.gz UEUPZVIOGFHWBN-LLVKDONJSA-N -1 3 397.508 3.535 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)nn1[C@H](C)C1CC1 ZINC000826261165 609141710 /nfs/dbraw/zinc/14/17/10/609141710.db2.gz UEUPZVIOGFHWBN-LLVKDONJSA-N -1 3 397.508 3.535 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826180135 609143315 /nfs/dbraw/zinc/14/33/15/609143315.db2.gz TWAWOSLDKHGCRR-QWRGUYRKSA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826180135 609143316 /nfs/dbraw/zinc/14/33/16/609143316.db2.gz TWAWOSLDKHGCRR-QWRGUYRKSA-N -1 3 389.406 3.574 20 0 GHADHM Cc1cc2ccccc2nc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826272827 609166596 /nfs/dbraw/zinc/16/65/96/609166596.db2.gz CYKYWKLZMQELFG-UHFFFAOYSA-N -1 3 382.431 3.726 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(Br)c1 ZINC000825480852 609177980 /nfs/dbraw/zinc/17/79/80/609177980.db2.gz NKYQHMKMZLWGBQ-UHFFFAOYSA-N -1 3 391.248 3.812 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCC(F)(F)F)c1 ZINC000825480857 609179124 /nfs/dbraw/zinc/17/91/24/609179124.db2.gz NTPOEAHPYKJXSA-UHFFFAOYSA-N -1 3 392.385 3.852 20 0 GHADHM c1cc2c(cc1-c1nn[n-]n1)CCC[C@@H]2Nc1ccc(N2CCCCC2)cn1 ZINC000826518606 609179609 /nfs/dbraw/zinc/17/96/09/609179609.db2.gz SSUNCGXXDQKMSS-IBGZPJMESA-N -1 3 375.480 3.742 20 0 GHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@H]2CCCO2)c1 ZINC000826291891 609182191 /nfs/dbraw/zinc/18/21/91/609182191.db2.gz ZZDZWLWAVXVMTP-CRAIPNDOSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@H]2CCCO2)c1 ZINC000826291891 609182192 /nfs/dbraw/zinc/18/21/92/609182192.db2.gz ZZDZWLWAVXVMTP-CRAIPNDOSA-N -1 3 379.464 3.906 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385675 609233531 /nfs/dbraw/zinc/23/35/31/609233531.db2.gz YWVGZUIQYQEVRT-STQMWFEESA-N -1 3 397.866 3.606 20 0 GHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385675 609233532 /nfs/dbraw/zinc/23/35/32/609233532.db2.gz YWVGZUIQYQEVRT-STQMWFEESA-N -1 3 397.866 3.606 20 0 GHADHM C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655068 609246873 /nfs/dbraw/zinc/24/68/73/609246873.db2.gz BENFQZOFROGDCT-INIZCTEOSA-N -1 3 390.491 3.595 20 0 GHADHM C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655068 609246874 /nfs/dbraw/zinc/24/68/74/609246874.db2.gz BENFQZOFROGDCT-INIZCTEOSA-N -1 3 390.491 3.595 20 0 GHADHM Cc1ccc(Br)c2c1N(C(=O)c1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000826281237 609251818 /nfs/dbraw/zinc/25/18/18/609251818.db2.gz KKNXDQYMQUINIA-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM Cc1ccc(Br)c2c1N(C(=O)c1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000826281237 609251820 /nfs/dbraw/zinc/25/18/20/609251820.db2.gz KKNXDQYMQUINIA-UHFFFAOYSA-N -1 3 398.264 3.531 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ncc(Cl)cc1Cl ZINC000825322433 609269391 /nfs/dbraw/zinc/26/93/91/609269391.db2.gz CZUBPMAEBKZSDY-UHFFFAOYSA-N -1 3 377.279 3.981 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ncc(Cl)cc1Cl ZINC000825322433 609269393 /nfs/dbraw/zinc/26/93/93/609269393.db2.gz CZUBPMAEBKZSDY-UHFFFAOYSA-N -1 3 377.279 3.981 20 0 GHADHM C[C@H](Nc1cccc(I)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662980 609271944 /nfs/dbraw/zinc/27/19/44/609271944.db2.gz UDVYSXNAYYFTCC-JTQLQIEISA-N -1 3 391.216 3.644 20 0 GHADHM C[C@H](Nc1cccc(I)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662980 609271946 /nfs/dbraw/zinc/27/19/46/609271946.db2.gz UDVYSXNAYYFTCC-JTQLQIEISA-N -1 3 391.216 3.644 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824992650 609276106 /nfs/dbraw/zinc/27/61/06/609276106.db2.gz NLJQTPBTFBVDGT-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824992650 609276108 /nfs/dbraw/zinc/27/61/08/609276108.db2.gz NLJQTPBTFBVDGT-KFWWJZLASA-N -1 3 396.470 3.793 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824136419 609283074 /nfs/dbraw/zinc/28/30/74/609283074.db2.gz QFCZGBMIFFCONS-UHFFFAOYSA-N -1 3 389.503 3.682 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824136419 609283075 /nfs/dbraw/zinc/28/30/75/609283075.db2.gz QFCZGBMIFFCONS-UHFFFAOYSA-N -1 3 389.503 3.682 20 0 GHADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccc2ccccc21 ZINC000826458779 609290120 /nfs/dbraw/zinc/29/01/20/609290120.db2.gz FWNZCCRPOPXWPE-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826281024 609301111 /nfs/dbraw/zinc/30/11/11/609301111.db2.gz ZVYPLDZMQNMTES-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826281024 609301112 /nfs/dbraw/zinc/30/11/12/609301112.db2.gz ZVYPLDZMQNMTES-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1C ZINC000825081710 609303858 /nfs/dbraw/zinc/30/38/58/609303858.db2.gz MNSVEWCELKLBAN-MNOVXSKESA-N -1 3 399.524 3.781 20 0 GHADHM CC[C@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1C ZINC000825081710 609303859 /nfs/dbraw/zinc/30/38/59/609303859.db2.gz MNSVEWCELKLBAN-MNOVXSKESA-N -1 3 399.524 3.781 20 0 GHADHM O=C(Nc1ccc2c(c1)CCO2)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826455415 609312201 /nfs/dbraw/zinc/31/22/01/609312201.db2.gz NFSCKXPOAYAQBS-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM O=C(Nc1ccc2c(c1)CCO2)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826455415 609312203 /nfs/dbraw/zinc/31/22/03/609312203.db2.gz NFSCKXPOAYAQBS-UHFFFAOYSA-N -1 3 399.410 3.846 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826155328 609315115 /nfs/dbraw/zinc/31/51/15/609315115.db2.gz MLDMXVQGRAODCI-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM COCCC[C@H](C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826155328 609315116 /nfs/dbraw/zinc/31/51/16/609315116.db2.gz MLDMXVQGRAODCI-AWEZNQCLSA-N -1 3 381.436 3.660 20 0 GHADHM C[C@@H](NCc1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626115 609326389 /nfs/dbraw/zinc/32/63/89/609326389.db2.gz LYWKYOCCVJUBPK-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000826474148 609328322 /nfs/dbraw/zinc/32/83/22/609328322.db2.gz CNWGQLZYWDXSDJ-HOTGVXAUSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000826474148 609328324 /nfs/dbraw/zinc/32/83/24/609328324.db2.gz CNWGQLZYWDXSDJ-HOTGVXAUSA-N -1 3 389.459 3.921 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824087331 609347647 /nfs/dbraw/zinc/34/76/47/609347647.db2.gz SYZBPURVWBYHRZ-CYBMUJFWSA-N -1 3 399.417 3.507 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824087331 609347648 /nfs/dbraw/zinc/34/76/48/609347648.db2.gz SYZBPURVWBYHRZ-CYBMUJFWSA-N -1 3 399.417 3.507 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823966876 609350379 /nfs/dbraw/zinc/35/03/79/609350379.db2.gz DJVZKTUXVONXSH-UHFFFAOYSA-N -1 3 380.404 3.575 20 0 GHADHM CC(=O)CCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823966876 609350381 /nfs/dbraw/zinc/35/03/81/609350381.db2.gz DJVZKTUXVONXSH-UHFFFAOYSA-N -1 3 380.404 3.575 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462631 609351821 /nfs/dbraw/zinc/35/18/21/609351821.db2.gz CVTYJCPURQKNQF-UHFFFAOYSA-N -1 3 396.300 3.716 20 0 GHADHM O=C(OCC(F)(F)C(F)F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462631 609351824 /nfs/dbraw/zinc/35/18/24/609351824.db2.gz CVTYJCPURQKNQF-UHFFFAOYSA-N -1 3 396.300 3.716 20 0 GHADHM O=C(OCCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462861 609352826 /nfs/dbraw/zinc/35/28/26/609352826.db2.gz LESWTTBVKNLMQN-UHFFFAOYSA-N -1 3 378.310 3.768 20 0 GHADHM O=C(OCCC(F)(F)F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462861 609352827 /nfs/dbraw/zinc/35/28/27/609352827.db2.gz LESWTTBVKNLMQN-UHFFFAOYSA-N -1 3 378.310 3.768 20 0 GHADHM O=C(COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000826462999 609353127 /nfs/dbraw/zinc/35/31/27/609353127.db2.gz PKIOBFPQRVGFAG-UHFFFAOYSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000826462999 609353129 /nfs/dbraw/zinc/35/31/29/609353129.db2.gz PKIOBFPQRVGFAG-UHFFFAOYSA-N -1 3 392.415 3.575 20 0 GHADHM C[C@H]1c2ccsc2CCN1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825029363 609355606 /nfs/dbraw/zinc/35/56/06/609355606.db2.gz QMMSVFLNFWIFPP-JTQLQIEISA-N -1 3 390.310 3.810 20 0 GHADHM C[C@H]1c2ccsc2CCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000825029363 609355610 /nfs/dbraw/zinc/35/56/10/609355610.db2.gz QMMSVFLNFWIFPP-JTQLQIEISA-N -1 3 390.310 3.810 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)s2)o1 ZINC000826273409 609381510 /nfs/dbraw/zinc/38/15/10/609381510.db2.gz CHXDTXMWWROBKY-UHFFFAOYSA-N -1 3 383.408 3.566 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)s2)o1 ZINC000826273409 609381513 /nfs/dbraw/zinc/38/15/13/609381513.db2.gz CHXDTXMWWROBKY-UHFFFAOYSA-N -1 3 383.408 3.566 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824884071 609389420 /nfs/dbraw/zinc/38/94/20/609389420.db2.gz KRWFDUNDAHNBBO-GJZGRUSLSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824884071 609389423 /nfs/dbraw/zinc/38/94/23/609389423.db2.gz KRWFDUNDAHNBBO-GJZGRUSLSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)C1 ZINC000824914937 609405280 /nfs/dbraw/zinc/40/52/80/609405280.db2.gz AHEKKBSBHNZLLW-GTNSWQLSSA-N -1 3 394.401 3.930 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)C2)C1 ZINC000824914937 609405281 /nfs/dbraw/zinc/40/52/81/609405281.db2.gz AHEKKBSBHNZLLW-GTNSWQLSSA-N -1 3 394.401 3.930 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)n1 ZINC000826369235 609430294 /nfs/dbraw/zinc/43/02/94/609430294.db2.gz STKHOMLEOWKELB-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM FC(F)(F)c1ccn(C2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)n1 ZINC000826369235 609430296 /nfs/dbraw/zinc/43/02/96/609430296.db2.gz STKHOMLEOWKELB-UHFFFAOYSA-N -1 3 397.792 3.577 20 0 GHADHM CC(C)OC(=O)O[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824308991 609449751 /nfs/dbraw/zinc/44/97/51/609449751.db2.gz DBQZQPOJNFEENU-QMMMGPOBSA-N -1 3 376.360 3.885 20 0 GHADHM CC(C)OC(=O)O[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824308991 609449752 /nfs/dbraw/zinc/44/97/52/609449752.db2.gz DBQZQPOJNFEENU-QMMMGPOBSA-N -1 3 376.360 3.885 20 0 GHADHM Cc1nnc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826335523 609451085 /nfs/dbraw/zinc/45/10/85/609451085.db2.gz QJECELZAOVWIEZ-CHWSQXEVSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1nnc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826335523 609451086 /nfs/dbraw/zinc/45/10/86/609451086.db2.gz QJECELZAOVWIEZ-CHWSQXEVSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)[nH]1 ZINC000826257036 609451279 /nfs/dbraw/zinc/45/12/79/609451279.db2.gz KYFMUHMBRVVTSV-UHFFFAOYSA-N -1 3 381.383 3.805 20 0 GHADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)[nH]1 ZINC000826257036 609451282 /nfs/dbraw/zinc/45/12/82/609451282.db2.gz KYFMUHMBRVVTSV-UHFFFAOYSA-N -1 3 381.383 3.805 20 0 GHADHM Brc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000393376049 609474393 /nfs/dbraw/zinc/47/43/93/609474393.db2.gz GNYPDWRCCGPRSD-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Brc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000393376049 609474394 /nfs/dbraw/zinc/47/43/94/609474394.db2.gz GNYPDWRCCGPRSD-UHFFFAOYSA-N -1 3 381.237 3.790 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1OCC1CCOCC1 ZINC000826291832 609479150 /nfs/dbraw/zinc/47/91/50/609479150.db2.gz YAJSXQVJSJAYAA-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1OCC1CCOCC1 ZINC000826291832 609479151 /nfs/dbraw/zinc/47/91/51/609479151.db2.gz YAJSXQVJSJAYAA-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM C[C@@H]1C[C@@H](CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCO1 ZINC000824885859 609483096 /nfs/dbraw/zinc/48/30/96/609483096.db2.gz UICDGUAAFCFVRV-CABCVRRESA-N -1 3 397.454 3.812 20 0 GHADHM C[C@@H]1C[C@@H](CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CCO1 ZINC000824885859 609483098 /nfs/dbraw/zinc/48/30/98/609483098.db2.gz UICDGUAAFCFVRV-CABCVRRESA-N -1 3 397.454 3.812 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc(COc2ccccc2)n1 ZINC000826186674 609483459 /nfs/dbraw/zinc/48/34/59/609483459.db2.gz GTCZOQWWHGEXCN-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(COc2ccccc2)n1 ZINC000826186674 609483461 /nfs/dbraw/zinc/48/34/61/609483461.db2.gz GTCZOQWWHGEXCN-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM Fc1cc(NCc2ccccn2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372554 609484119 /nfs/dbraw/zinc/48/41/19/609484119.db2.gz BPZLRCWBCGYQHH-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cc(NCc2ccccn2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372554 609484121 /nfs/dbraw/zinc/48/41/21/609484121.db2.gz BPZLRCWBCGYQHH-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccccc2OC(C)C)cc1-c1nnn[n-]1 ZINC000825553534 609488576 /nfs/dbraw/zinc/48/85/76/609488576.db2.gz SOIPAIDIVMTFMA-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccccc2OC(C)C)cc1-c1nn[n-]n1 ZINC000825553534 609488577 /nfs/dbraw/zinc/48/85/77/609488577.db2.gz SOIPAIDIVMTFMA-UHFFFAOYSA-N -1 3 396.451 3.834 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccccc1 ZINC000826231929 609491040 /nfs/dbraw/zinc/49/10/40/609491040.db2.gz QTOXTIJTSKNIBO-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)Cc1ccncc1 ZINC000826271871 609499417 /nfs/dbraw/zinc/49/94/17/609499417.db2.gz KXMVWNDDUAIKEG-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)Cc1ccncc1 ZINC000826271871 609499420 /nfs/dbraw/zinc/49/94/20/609499420.db2.gz KXMVWNDDUAIKEG-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Fc1cc(F)c(OCc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826372740 609505261 /nfs/dbraw/zinc/50/52/61/609505261.db2.gz JVODFQYDOCJMAL-UHFFFAOYSA-N -1 3 385.143 3.626 20 0 GHADHM Fc1cc(F)c(OCc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826372740 609505263 /nfs/dbraw/zinc/50/52/63/609505263.db2.gz JVODFQYDOCJMAL-UHFFFAOYSA-N -1 3 385.143 3.626 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CCO1 ZINC000825252832 609508724 /nfs/dbraw/zinc/50/87/24/609508724.db2.gz KNUDNOALYLRNKN-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CCO1 ZINC000825252832 609508725 /nfs/dbraw/zinc/50/87/25/609508725.db2.gz KNUDNOALYLRNKN-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCCc2c(Br)cccc21 ZINC000826471952 609513590 /nfs/dbraw/zinc/51/35/90/609513590.db2.gz SECAYKHARROLIF-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCCc2c(Br)cccc21 ZINC000826471952 609513591 /nfs/dbraw/zinc/51/35/91/609513591.db2.gz SECAYKHARROLIF-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826310872 609537828 /nfs/dbraw/zinc/53/78/28/609537828.db2.gz LJBRLNHIBBVASP-CQSZACIVSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826310872 609537831 /nfs/dbraw/zinc/53/78/31/609537831.db2.gz LJBRLNHIBBVASP-CQSZACIVSA-N -1 3 385.269 3.674 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H]2CCOc3c(Cl)cccc32)c1-c1nnn[n-]1 ZINC000826239783 609539855 /nfs/dbraw/zinc/53/98/55/609539855.db2.gz QBKNVKGKYWSILF-GFCCVEGCSA-N -1 3 377.235 3.813 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H]2CCOc3c(Cl)cccc32)c1-c1nn[n-]n1 ZINC000826239783 609539857 /nfs/dbraw/zinc/53/98/57/609539857.db2.gz QBKNVKGKYWSILF-GFCCVEGCSA-N -1 3 377.235 3.813 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826180016 609553061 /nfs/dbraw/zinc/55/30/61/609553061.db2.gz PANAYKOQGONIDV-SECBINFHSA-N -1 3 392.822 3.553 20 0 GHADHM COc1cc(F)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826180016 609553064 /nfs/dbraw/zinc/55/30/64/609553064.db2.gz PANAYKOQGONIDV-SECBINFHSA-N -1 3 392.822 3.553 20 0 GHADHM C[C@H]1C[C@H](C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC(C)(C)C1 ZINC000824867262 609559279 /nfs/dbraw/zinc/55/92/79/609559279.db2.gz OTBUKCKEBLDPIJ-RDJZCZTQSA-N -1 3 397.523 3.699 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1Br)CCC2 ZINC000826327994 609565059 /nfs/dbraw/zinc/56/50/59/609565059.db2.gz BWHPUOJAZYSPKO-ZDUSSCGKSA-N -1 3 391.298 3.884 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1Br ZINC000824907953 609576245 /nfs/dbraw/zinc/57/62/45/609576245.db2.gz LKQZZRCNRZEFRK-SCZZXKLOSA-N -1 3 390.207 3.796 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1C ZINC000826331821 609587700 /nfs/dbraw/zinc/58/77/00/609587700.db2.gz ZDBODFCVJOHAQR-STQMWFEESA-N -1 3 393.495 3.680 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826284245 609594155 /nfs/dbraw/zinc/59/41/55/609594155.db2.gz NUTUJOATAJOMOY-UHFFFAOYSA-N -1 3 377.782 3.583 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826284245 609594156 /nfs/dbraw/zinc/59/41/56/609594156.db2.gz NUTUJOATAJOMOY-UHFFFAOYSA-N -1 3 377.782 3.583 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824488999 609595037 /nfs/dbraw/zinc/59/50/37/609595037.db2.gz HYFLFMCNOLHHSA-ZZMYNNSZSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488999 609595038 /nfs/dbraw/zinc/59/50/38/609595038.db2.gz HYFLFMCNOLHHSA-ZZMYNNSZSA-N -1 3 388.475 3.815 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826456282 609607893 /nfs/dbraw/zinc/60/78/93/609607893.db2.gz XHVUAMXTTSUMCH-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826456282 609607895 /nfs/dbraw/zinc/60/78/95/609607895.db2.gz XHVUAMXTTSUMCH-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM COc1ccc(OCc2nc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)cs2)cc1 ZINC000066407177 837387930 /nfs/dbraw/zinc/38/79/30/837387930.db2.gz SJRWNXBTYDTTBA-VCHYOVAHSA-N -1 3 392.436 3.541 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(Cc2ccccc2)C1 ZINC000683499960 837410859 /nfs/dbraw/zinc/41/08/59/837410859.db2.gz QIPVQPYAYZEDGG-UHFFFAOYSA-N -1 3 397.272 3.605 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCCO1 ZINC000655664007 837560628 /nfs/dbraw/zinc/56/06/28/837560628.db2.gz CYGJGSRWDYLFFV-STQMWFEESA-N -1 3 396.734 3.729 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCOCC1)c1ccc(Cl)s1 ZINC000121458491 837598384 /nfs/dbraw/zinc/59/83/84/837598384.db2.gz GQLWDSYEZJWIMN-UHFFFAOYSA-N -1 3 393.864 3.664 20 0 GHADHM CCN(C(=O)Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1)c1ccccc1 ZINC000187269384 837674336 /nfs/dbraw/zinc/67/43/36/837674336.db2.gz DUKFTPGMEHGBLT-UHFFFAOYSA-N -1 3 399.454 3.806 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000176969767 837687868 /nfs/dbraw/zinc/68/78/68/837687868.db2.gz SNWMPHFOMAZGDC-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM COC(=O)[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000414399765 837762294 /nfs/dbraw/zinc/76/22/94/837762294.db2.gz VZQXNDNFBFOTML-CQSZACIVSA-N -1 3 377.462 3.551 20 0 GHADHM O=S(=O)([N-]CCCc1ccccn1)c1cc(Cl)ccc1C(F)(F)F ZINC000510047853 834644236 /nfs/dbraw/zinc/64/42/36/834644236.db2.gz CSZWVXOHTNUJTC-UHFFFAOYSA-N -1 3 378.803 3.665 20 0 GHADHM Cc1cccc(COc2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)c1 ZINC000278356538 834791414 /nfs/dbraw/zinc/79/14/14/834791414.db2.gz ZQNJNWUZBYLHOW-INIZCTEOSA-N -1 3 378.350 3.951 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000536219061 834833409 /nfs/dbraw/zinc/83/34/09/834833409.db2.gz HHMRXEGMFUXIJU-KRWDZBQOSA-N -1 3 375.856 3.508 20 0 GHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000683172827 834915593 /nfs/dbraw/zinc/91/55/93/834915593.db2.gz DTHIZPKBFLHQQE-KRWDZBQOSA-N -1 3 394.265 3.772 20 0 GHADHM COc1ccc([O-])c(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)c1 ZINC000685390082 834975804 /nfs/dbraw/zinc/97/58/04/834975804.db2.gz BIJLKIWZXQHXQH-UHFFFAOYSA-N -1 3 379.416 3.650 20 0 GHADHM CSc1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1 ZINC000064467925 834987379 /nfs/dbraw/zinc/98/73/79/834987379.db2.gz DDQXZLXPFLOZQA-UHFFFAOYSA-N -1 3 397.831 3.781 20 0 GHADHM COc1ccc2occ(C(=O)N=c3cc4ccc(Br)cn4[n-]3)c2c1 ZINC000511284966 834992238 /nfs/dbraw/zinc/99/22/38/834992238.db2.gz KPDAODDOTNAGPR-UHFFFAOYSA-N -1 3 386.205 3.526 20 0 GHADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3coc(C4CCOCC4)n3)n[nH]2)cc1 ZINC000583799994 835061772 /nfs/dbraw/zinc/06/17/72/835061772.db2.gz IJAJCJCMERBKBM-UHFFFAOYSA-N -1 3 395.463 3.904 20 0 GHADHM Cc1cccc(C(=O)[N-]NC(=S)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000066122346 835171753 /nfs/dbraw/zinc/17/17/53/835171753.db2.gz XMOOSDVMVSBQSC-SNVBAGLBSA-N -1 3 383.304 3.567 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000280926676 835183228 /nfs/dbraw/zinc/18/32/28/835183228.db2.gz OPOLNDQWXZCNPQ-CQSZACIVSA-N -1 3 394.500 3.780 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccn(Cc2ccccc2)c1 ZINC000511309358 835186939 /nfs/dbraw/zinc/18/69/39/835186939.db2.gz XTMXPFUOVTUQNC-UHFFFAOYSA-N -1 3 395.260 3.621 20 0 GHADHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1[O-] ZINC000186589163 835334894 /nfs/dbraw/zinc/33/48/94/835334894.db2.gz AFDWWTNSYISOOF-UHFFFAOYSA-N -1 3 394.830 3.663 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000647372545 835503816 /nfs/dbraw/zinc/50/38/16/835503816.db2.gz OOXOXXYGZDADFW-VXGBXAGGSA-N -1 3 387.307 3.746 20 0 GHADHM COc1cccc(-c2nsc([N-]C(=O)c3c(Cl)n(C)nc3C(C)C)n2)c1 ZINC000154278280 835504185 /nfs/dbraw/zinc/50/41/85/835504185.db2.gz LPLJEVGOAJLRJE-UHFFFAOYSA-N -1 3 391.884 3.976 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(C)c3[N+](=O)[O-])nc(=O)c2c1C ZINC000039501533 835526432 /nfs/dbraw/zinc/52/64/32/835526432.db2.gz TYVRQNSCVUGWJH-JTQLQIEISA-N -1 3 387.417 3.736 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000151572064 835543531 /nfs/dbraw/zinc/54/35/31/835543531.db2.gz QQCYMGUWNJOTLA-UHFFFAOYSA-N -1 3 382.279 3.804 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000151612933 835655861 /nfs/dbraw/zinc/65/58/61/835655861.db2.gz GAAPYOQIEIQAHE-VXGBXAGGSA-N -1 3 382.204 3.853 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000151650977 835689612 /nfs/dbraw/zinc/68/96/12/835689612.db2.gz TVMYBBWVMCDOOG-STQMWFEESA-N -1 3 382.204 3.853 20 0 GHADHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cn(C2CCC2)nn1 ZINC000648215835 835746976 /nfs/dbraw/zinc/74/69/76/835746976.db2.gz FWSGOKAERLVOEG-UHFFFAOYSA-N -1 3 384.509 3.575 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000092507161 844090802 /nfs/dbraw/zinc/09/08/02/844090802.db2.gz SMHWLQJUYXEGSE-HNNXBMFYSA-N -1 3 384.329 3.913 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000472316619 835799133 /nfs/dbraw/zinc/79/91/33/835799133.db2.gz WRHVLVOCVLPLJH-JKSUJKDBSA-N -1 3 377.441 3.539 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000472316614 835799328 /nfs/dbraw/zinc/79/93/28/835799328.db2.gz WRHVLVOCVLPLJH-HOTGVXAUSA-N -1 3 377.441 3.539 20 0 GHADHM O=C(CCSc1ccc(Br)cc1)N[N-]C(=O)c1ccccc1F ZINC000052937583 835845714 /nfs/dbraw/zinc/84/57/14/835845714.db2.gz KQLJLXROJPQVPZ-UHFFFAOYSA-N -1 3 397.269 3.532 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)s1 ZINC000159885280 835959153 /nfs/dbraw/zinc/95/91/53/835959153.db2.gz HASUMVSBPLGMHC-UHFFFAOYSA-N -1 3 394.298 3.608 20 0 GHADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000584482173 836274982 /nfs/dbraw/zinc/27/49/82/836274982.db2.gz JKVONULNVDBKDL-LLVKDONJSA-N -1 3 386.249 3.915 20 0 GHADHM C[C@@H]([N-]C(=O)c1sc(Cl)nc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000891941935 844145908 /nfs/dbraw/zinc/14/59/08/844145908.db2.gz AAMPNIBEVRISKZ-UWTATZPHSA-N -1 3 394.684 3.708 20 0 GHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(Br)ncc2Cl)n1 ZINC000275259478 836472430 /nfs/dbraw/zinc/47/24/30/836472430.db2.gz HYMYVJABJXWNLF-UHFFFAOYSA-N -1 3 375.679 3.899 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)c2)n1 ZINC000174650804 836517893 /nfs/dbraw/zinc/51/78/93/836517893.db2.gz VWAZFIQORPTHML-RDPSFJRHSA-N -1 3 385.467 3.842 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000174687045 836526394 /nfs/dbraw/zinc/52/63/94/836526394.db2.gz NVDRKNBWBCXLCM-MRXNPFEDSA-N -1 3 375.425 3.663 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1cccc2cccnc21 ZINC000175318949 836768256 /nfs/dbraw/zinc/76/82/56/836768256.db2.gz ZNKNFUXLCXRWJS-UHFFFAOYSA-N -1 3 383.333 3.794 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)c(F)cc1F ZINC000175789216 837005168 /nfs/dbraw/zinc/00/51/68/837005168.db2.gz WKDITHUPIXFQON-DNVCBOLYSA-N -1 3 381.444 3.719 20 0 GHADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000175804645 837013485 /nfs/dbraw/zinc/01/34/85/837013485.db2.gz IPPYPSGPFMVQLE-UHFFFAOYSA-N -1 3 394.450 3.850 20 0 GHADHM CC(C)(C)c1csc(CCNC(=O)c2cc([O-])cc(Br)c2)n1 ZINC000528432784 837030383 /nfs/dbraw/zinc/03/03/83/837030383.db2.gz OJOGAGRXJRBYAH-UHFFFAOYSA-N -1 3 383.311 3.881 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867621 837038373 /nfs/dbraw/zinc/03/83/73/837038373.db2.gz VMHIZFVKCLDJNY-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM CCOC(=O)CN(Cc1ccc(F)cc1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001167261719 837090779 /nfs/dbraw/zinc/09/07/79/837090779.db2.gz HYCUOPSNBCVWJG-UHFFFAOYSA-N -1 3 395.434 3.554 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc21 ZINC001266467376 837096673 /nfs/dbraw/zinc/09/66/73/837096673.db2.gz PQHFIURWIMVQMQ-UHFFFAOYSA-N -1 3 387.823 3.637 20 0 GHADHM O=c1nc(CSC[C@H]2CCNC(=O)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000419354241 844240091 /nfs/dbraw/zinc/24/00/91/844240091.db2.gz KVVYIXKLGASTGB-LLVKDONJSA-N -1 3 389.502 3.806 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048016181 844249494 /nfs/dbraw/zinc/24/94/94/844249494.db2.gz HAJFYMIPDVOKSK-HNNXBMFYSA-N -1 3 394.349 3.534 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H](C2CC2)C1 ZINC000685858290 837378844 /nfs/dbraw/zinc/37/88/44/837378844.db2.gz UVOVPRVYVYSMOU-LBPRGKRZSA-N -1 3 375.266 3.553 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495615 837902061 /nfs/dbraw/zinc/90/20/61/837902061.db2.gz GDAOQECZNZHJAQ-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495615 837902066 /nfs/dbraw/zinc/90/20/66/837902066.db2.gz GDAOQECZNZHJAQ-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020502051 837903119 /nfs/dbraw/zinc/90/31/19/837903119.db2.gz CNHPZQSYHPDYBX-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020502051 837903127 /nfs/dbraw/zinc/90/31/27/837903127.db2.gz CNHPZQSYHPDYBX-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)s1 ZINC000509900325 844296930 /nfs/dbraw/zinc/29/69/30/844296930.db2.gz NTJVPJUCEPMPQV-UHFFFAOYSA-N -1 3 398.859 3.899 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)n[n-]2)o1 ZINC000728727556 838215937 /nfs/dbraw/zinc/21/59/37/838215937.db2.gz IUFBPTPXTKQEKS-ZHHULCEESA-N -1 3 397.475 3.608 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)[n-]n2)o1 ZINC000728727556 838215958 /nfs/dbraw/zinc/21/59/58/838215958.db2.gz IUFBPTPXTKQEKS-ZHHULCEESA-N -1 3 397.475 3.608 20 0 GHADHM CN(Cc1cnn(-c2ccccc2)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000027551769 838262941 /nfs/dbraw/zinc/26/29/41/838262941.db2.gz PGMFIXNGCGRPSO-UHFFFAOYSA-N -1 3 385.427 3.899 20 0 GHADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)ccn1 ZINC000136068869 838289245 /nfs/dbraw/zinc/28/92/45/838289245.db2.gz MQMUJVGQDLXJBE-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000181920082 838306952 /nfs/dbraw/zinc/30/69/52/838306952.db2.gz BWAYZNDEZDBDJM-YOEHRIQHSA-N -1 3 399.329 3.938 20 0 GHADHM CC(C)Cn1nccc1CN[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000647646702 838319045 /nfs/dbraw/zinc/31/90/45/838319045.db2.gz JYDNUTYMAXUYFU-DYVFJYSZSA-N -1 3 394.313 3.853 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@H](c2ccsc2)O1 ZINC000412183524 838330897 /nfs/dbraw/zinc/33/08/97/838330897.db2.gz HWBYZLNTKUMWKA-BDJLRTHQSA-N -1 3 388.876 3.845 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4cccs4)ns3)c[n-]c12 ZINC000182141086 838334187 /nfs/dbraw/zinc/33/41/87/838334187.db2.gz XRIOOROEOXDPOU-UHFFFAOYSA-N -1 3 386.433 3.808 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1Cl ZINC000123302367 838493102 /nfs/dbraw/zinc/49/31/02/838493102.db2.gz YLKJHBRVGXSEJG-UHFFFAOYSA-N -1 3 387.798 3.840 20 0 GHADHM COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nn1 ZINC000179935654 838556570 /nfs/dbraw/zinc/55/65/70/838556570.db2.gz UVOPCGQBLNNLMU-UHFFFAOYSA-N -1 3 378.413 3.720 20 0 GHADHM CC[C@H](CSC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180179534 838558526 /nfs/dbraw/zinc/55/85/26/838558526.db2.gz OIOCKMKHMKYEOA-MJGOQNOKSA-N -1 3 386.517 3.511 20 0 GHADHM O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1[O-] ZINC000180500815 838598295 /nfs/dbraw/zinc/59/82/95/838598295.db2.gz KBGOWCUNDDSNDS-UHFFFAOYSA-N -1 3 393.148 3.793 20 0 GHADHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2c[n-]c3ccccc3c2=O)s1 ZINC000473410067 844359866 /nfs/dbraw/zinc/35/98/66/844359866.db2.gz RLFMQSOVTSDWSF-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM Cc1cccc(-c2noc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccc(Cl)cc4)C3)n2)c1 ZINC000659796783 838679629 /nfs/dbraw/zinc/67/96/29/838679629.db2.gz BFHDGNWPZIGVDW-MSOLQXFVSA-N -1 3 397.862 3.999 20 0 GHADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000659797639 838679817 /nfs/dbraw/zinc/67/98/17/838679817.db2.gz OWHSAWMIGXGYIM-QMTMVMCOSA-N -1 3 377.843 3.703 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2nc(-c3ccsc3)no2)C[C@H]1c1ccc(Cl)cc1 ZINC000659797035 838680648 /nfs/dbraw/zinc/68/06/48/838680648.db2.gz IAQSHIDJFOHYFA-LSDHHAIUSA-N -1 3 389.864 3.752 20 0 GHADHM CCc1ccccc1O[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1 ZINC000893216244 838986581 /nfs/dbraw/zinc/98/65/81/838986581.db2.gz OSXUQPFAAZZZAO-FQEVSTJZSA-N -1 3 389.455 3.844 20 0 GHADHM O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052384813 844390060 /nfs/dbraw/zinc/39/00/60/844390060.db2.gz DHZNNDBRJDIQDR-FQEVSTJZSA-N -1 3 394.471 3.957 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000416502201 839328127 /nfs/dbraw/zinc/32/81/27/839328127.db2.gz KXYZICPGZXPKAH-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3C(C)(C)C3(F)F)s2)cs1 ZINC000660020550 839330355 /nfs/dbraw/zinc/33/03/55/839330355.db2.gz FHANHMNBETVBDJ-LLVKDONJSA-N -1 3 378.491 3.750 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1SCc1cscn1 ZINC000129230159 844431945 /nfs/dbraw/zinc/43/19/45/844431945.db2.gz KRNGEPAGYWEASM-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1SCc1cscn1 ZINC000129230159 844431953 /nfs/dbraw/zinc/43/19/53/844431953.db2.gz KRNGEPAGYWEASM-UHFFFAOYSA-N -1 3 394.485 3.868 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)OCC1CC1 ZINC000416588807 839470191 /nfs/dbraw/zinc/47/01/91/839470191.db2.gz FIQZKXYLJDGSPF-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(C(F)(F)F)ccc1N ZINC001211154224 839742577 /nfs/dbraw/zinc/74/25/77/839742577.db2.gz WCAUVIOWJAKPIU-UHFFFAOYSA-N -1 3 384.383 3.649 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)cc2)n1 ZINC000432888690 844492719 /nfs/dbraw/zinc/49/27/19/844492719.db2.gz DTQOCNPXTZNZDT-DJJJIMSYSA-N -1 3 395.484 3.695 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)N=c3cc(-c4cc(C)cc(C)c4)[n-][nH]3)cn2)n1 ZINC000512554700 844515103 /nfs/dbraw/zinc/51/51/03/844515103.db2.gz IZJOVEHZQCVZKR-UHFFFAOYSA-N -1 3 386.459 3.565 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000433516762 844529270 /nfs/dbraw/zinc/52/92/70/844529270.db2.gz OIEGWDWXPRQGKG-UXHICEINSA-N -1 3 375.490 3.732 20 0 GHADHM O=c1cc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)nc(C2CC2)[n-]1 ZINC000417041406 840390128 /nfs/dbraw/zinc/39/01/28/840390128.db2.gz XKXSSMITGNDSET-UHFFFAOYSA-N -1 3 392.381 3.513 20 0 GHADHM CN1CCN(c2cc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)ccn2)CC1 ZINC001167439602 840478615 /nfs/dbraw/zinc/47/86/15/840478615.db2.gz ATBNPGHKVCAOIQ-UHFFFAOYSA-N -1 3 396.878 3.598 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccnc1C(F)(F)F ZINC000584737466 840717046 /nfs/dbraw/zinc/71/70/46/840717046.db2.gz PMDLHZZUEULQCV-OCCSQVGLSA-N -1 3 388.386 3.854 20 0 GHADHM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000156003718 840739043 /nfs/dbraw/zinc/73/90/43/840739043.db2.gz SLOXFHPSRXPENG-MRVPVSSYSA-N -1 3 380.775 3.530 20 0 GHADHM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)ccc2[nH]1 ZINC000581149335 840793067 /nfs/dbraw/zinc/79/30/67/840793067.db2.gz CZNMSAVQPBESBT-UHFFFAOYSA-N -1 3 386.473 3.517 20 0 GHADHM COc1ccc(CN(C)Cc2cc(=O)oc3cc([O-])ccc23)cc1OC(F)F ZINC000026452692 840984369 /nfs/dbraw/zinc/98/43/69/840984369.db2.gz OQYGZVNGKZJOAL-UHFFFAOYSA-N -1 3 391.370 3.741 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc3cc(C)cc(Br)c3o2)[n-]1 ZINC000617875923 840985407 /nfs/dbraw/zinc/98/54/07/840985407.db2.gz ABFWYBOBVCMCJN-UHFFFAOYSA-N -1 3 392.209 3.656 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CNCC2(C(=O)[O-])CC2)c1 ZINC000417599551 841055365 /nfs/dbraw/zinc/05/53/65/841055365.db2.gz CFJGIBREXAVIRL-UHFFFAOYSA-N -1 3 375.852 3.882 20 0 GHADHM CC(C)n1cc(CN[C@@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cn1 ZINC000417637817 841086929 /nfs/dbraw/zinc/08/69/29/841086929.db2.gz IRRXDWSAOVYDEK-BLLLJJGKSA-N -1 3 380.286 3.778 20 0 GHADHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc([O-])ccc1Cl ZINC000500033506 841296855 /nfs/dbraw/zinc/29/68/55/841296855.db2.gz AJEMGHIWWWMMSX-KUHUBIRLSA-N -1 3 387.863 3.827 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)CCCCC2)no1 ZINC000045097178 841590783 /nfs/dbraw/zinc/59/07/83/841590783.db2.gz KBTODTOYGOJGHU-UHFFFAOYSA-N -1 3 389.399 3.535 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Sc2ccccc2)c1)[C@@H]1CCOC1 ZINC000656623711 841596449 /nfs/dbraw/zinc/59/64/49/841596449.db2.gz VNEYCPRWYMDVKE-DNVCBOLYSA-N -1 3 393.530 3.631 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(-c2nc(C)co2)ccc1C)C1CCCC1 ZINC000656625108 841605298 /nfs/dbraw/zinc/60/52/98/841605298.db2.gz ZNSJXEMYAJMFOM-GOSISDBHSA-N -1 3 378.494 3.905 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(SC)ccc2Cl)cc1 ZINC000656633909 841622795 /nfs/dbraw/zinc/62/27/95/841622795.db2.gz QFWUQBXVKNBZFG-UHFFFAOYSA-N -1 3 387.910 3.891 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000474872562 861228175 /nfs/dbraw/zinc/22/81/75/861228175.db2.gz MRRMXKHMGKDXIR-UHFFFAOYSA-N -1 3 390.207 3.540 20 0 GHADHM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC(C)(C)C1 ZINC001299283137 861225063 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GHADHM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000581744961 842136595 /nfs/dbraw/zinc/13/65/95/842136595.db2.gz UPJRDXDYTFWOHA-KZULUSFZSA-N -1 3 390.842 3.667 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1)C1CCCCC1 ZINC000656897466 842144418 /nfs/dbraw/zinc/14/44/18/842144418.db2.gz MIGAFJNXDZAPJY-MSOLQXFVSA-N -1 3 394.562 3.747 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@H](COc1ccccc1F)c1ccccc1 ZINC000471692751 842174082 /nfs/dbraw/zinc/17/40/82/842174082.db2.gz LYEKDSTWMFXRQC-GOSISDBHSA-N -1 3 381.407 3.546 20 0 GHADHM CC(=O)c1sc2[n-]c(CSc3nnc(-c4ccccc4)o3)nc(=O)c2c1C ZINC000006038318 842194650 /nfs/dbraw/zinc/19/46/50/842194650.db2.gz LYYZRCLOHGPOEX-UHFFFAOYSA-N -1 3 398.469 3.838 20 0 GHADHM CC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CCCCC1 ZINC000585711890 842203542 /nfs/dbraw/zinc/20/35/42/842203542.db2.gz RHDWSUXIDLOVPS-LJQANCHMSA-N -1 3 382.508 3.548 20 0 GHADHM COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)NCc2ncccc2[O-])cc1 ZINC000471735026 842288864 /nfs/dbraw/zinc/28/88/64/842288864.db2.gz FWAPEWXWATWNSH-IBGZPJMESA-N -1 3 395.434 3.718 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000730811277 861298463 /nfs/dbraw/zinc/29/84/63/861298463.db2.gz IMUSRONXUFOVQU-MNOVXSKESA-N -1 3 394.306 3.701 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC000730811276 861299003 /nfs/dbraw/zinc/29/90/03/861299003.db2.gz IMUSRONXUFOVQU-GHMZBOCLSA-N -1 3 394.306 3.701 20 0 GHADHM O=C(NCc1cccc(OCc2ccccc2)c1)c1nnc2ccccc2c1[O-] ZINC000261405537 842662661 /nfs/dbraw/zinc/66/26/61/842662661.db2.gz OVVFYUFNOVQDDZ-UHFFFAOYSA-N -1 3 385.423 3.844 20 0 GHADHM C[C@H]1C[C@H]1c1noc(CC2CCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)n1 ZINC000652535185 842678838 /nfs/dbraw/zinc/67/88/38/842678838.db2.gz AVEZJRPZTNOQFM-XJKSGUPXSA-N -1 3 392.459 3.899 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1nnc2ccccc2c1[O-] ZINC000261441112 842713861 /nfs/dbraw/zinc/71/38/61/842713861.db2.gz FZENLZBFERUHHH-QGZVFWFLSA-N -1 3 383.423 3.698 20 0 GHADHM Cc1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cnc1F ZINC000891708716 842714408 /nfs/dbraw/zinc/71/44/08/842714408.db2.gz ILSXAUIHQMFBEM-UHFFFAOYSA-N -1 3 377.847 3.739 20 0 GHADHM COc1cc(CNC(=O)NCc2ccc([O-])c(F)c2)ccc1OCCC(C)C ZINC000606636305 842826883 /nfs/dbraw/zinc/82/68/83/842826883.db2.gz AYGDHNCZHYEHFQ-UHFFFAOYSA-N -1 3 390.455 3.964 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000548370918 842836493 /nfs/dbraw/zinc/83/64/93/842836493.db2.gz HBQNURADNRBTEI-GFCCVEGCSA-N -1 3 376.236 3.935 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C(F)(F)F)c1 ZINC000409490851 842892596 /nfs/dbraw/zinc/89/25/96/842892596.db2.gz KNLBDCZZXMBCMG-INIZCTEOSA-N -1 3 389.395 3.676 20 0 GHADHM CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1[O-] ZINC000254615480 842951792 /nfs/dbraw/zinc/95/17/92/842951792.db2.gz DCLDEUGWUCGXID-UHFFFAOYSA-N -1 3 397.656 3.971 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c(=O)[n-]1 ZINC000279349816 843019302 /nfs/dbraw/zinc/01/93/02/843019302.db2.gz IBMAYGFIPAWZMF-UHFFFAOYSA-N -1 3 387.911 3.965 20 0 GHADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000471867498 843046372 /nfs/dbraw/zinc/04/63/72/843046372.db2.gz ARAPAOMUOMBSOZ-UHFFFAOYSA-N -1 3 391.225 3.867 20 0 GHADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@](C)(C(F)F)O1 ZINC000662364206 843160139 /nfs/dbraw/zinc/16/01/39/843160139.db2.gz WZOZXAJORIFBQU-XTZNXHDOSA-N -1 3 395.431 3.901 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000471876753 843167871 /nfs/dbraw/zinc/16/78/71/843167871.db2.gz ODLUJHVYKQYUTB-ZDUSSCGKSA-N -1 3 389.452 3.619 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cn2ccnc2s1 ZINC000432616388 843303519 /nfs/dbraw/zinc/30/35/19/843303519.db2.gz LNUPDVBOYXTSKD-ZDUSSCGKSA-N -1 3 381.486 3.968 20 0 GHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000471898665 843331115 /nfs/dbraw/zinc/33/11/15/843331115.db2.gz LZWHANXJEVCQIQ-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM C[C@@H](CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)CC(C)(C)C ZINC001211525754 843436803 /nfs/dbraw/zinc/43/68/03/843436803.db2.gz CZEBWLGLZSEART-NPMABZOXSA-N -1 3 378.535 3.579 20 0 GHADHM O=C(NCc1ccc(COCc2ccccc2)cc1)NN=c1ccc(Cl)n[n-]1 ZINC000125849242 843557610 /nfs/dbraw/zinc/55/76/10/843557610.db2.gz LWDFJYFXFXCKLX-UHFFFAOYSA-N -1 3 397.866 3.673 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163686951 843709766 /nfs/dbraw/zinc/70/97/66/843709766.db2.gz ZBNXHDRGUUSKOT-UHFFFAOYSA-N -1 3 382.439 3.696 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182403059 843736270 /nfs/dbraw/zinc/73/62/70/843736270.db2.gz UDNFATMTXBEYBO-UHFFFAOYSA-N -1 3 388.420 3.747 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N=c2[n-]nc(C(F)F)s2)N(CC)CC)cc1 ZINC000432770672 843762664 /nfs/dbraw/zinc/76/26/64/843762664.db2.gz XSZQPNCIVLRDMX-AWEZNQCLSA-N -1 3 397.495 3.665 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1Cl ZINC000429894897 843848971 /nfs/dbraw/zinc/84/89/71/843848971.db2.gz GOBOUJDHTKUVFE-MRVPVSSYSA-N -1 3 388.661 3.816 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2c[nH]c3ccccc23)[nH][n-]1 ZINC000512856177 843894413 /nfs/dbraw/zinc/89/44/13/843894413.db2.gz QJQVKQPSBUSEQF-UHFFFAOYSA-N -1 3 380.835 3.823 20 0 GHADHM CCCN(CC(=O)[O-])Cc1cccc(OCC(F)(F)F)c1Br ZINC000662204670 843936363 /nfs/dbraw/zinc/93/63/63/843936363.db2.gz JCYDRLLRHNVJCX-UHFFFAOYSA-N -1 3 384.192 3.687 20 0 GHADHM COc1cc(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc(OC)c1[O-] ZINC000162874267 861479120 /nfs/dbraw/zinc/47/91/20/861479120.db2.gz WDNLYPDXKMHSRD-UHFFFAOYSA-N -1 3 392.455 3.955 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(CN(C)C)c3)ccc2O1 ZINC000500787983 844009444 /nfs/dbraw/zinc/00/94/44/844009444.db2.gz PISBVSOZJIADIZ-GFCCVEGCSA-N -1 3 380.897 3.526 20 0 GHADHM O=C(NCCCCCCCc1nc(-c2cc(F)ccn2)no1)c1ccccc1[O-] ZINC001211750452 844943624 /nfs/dbraw/zinc/94/36/24/844943624.db2.gz YXRKYRFFIDYGBM-UHFFFAOYSA-N -1 3 398.438 3.899 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C12CCC2 ZINC000657186166 845010109 /nfs/dbraw/zinc/01/01/09/845010109.db2.gz BCDOPZACAPYNKQ-KBPBESRZSA-N -1 3 392.443 3.505 20 0 GHADHM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000028252251 845072618 /nfs/dbraw/zinc/07/26/18/845072618.db2.gz FQEKGUFTIYNUTB-UHFFFAOYSA-N -1 3 390.505 3.614 20 0 GHADHM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000028252451 845073228 /nfs/dbraw/zinc/07/32/28/845073228.db2.gz MZTOELFDUCJBAA-UHFFFAOYSA-N -1 3 390.505 3.661 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1C(F)(F)F ZINC000509913702 845102614 /nfs/dbraw/zinc/10/26/14/845102614.db2.gz VKAQEGKLMHCDEQ-SMDDNHRTSA-N -1 3 399.862 3.968 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccncc1 ZINC000433639558 845119923 /nfs/dbraw/zinc/11/99/23/845119923.db2.gz NPKDBLLHKZJMFC-VIFPVBQESA-N -1 3 395.731 3.989 20 0 GHADHM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000471994706 845157661 /nfs/dbraw/zinc/15/76/61/845157661.db2.gz DIBMTFIEZOOMHC-UHFFFAOYSA-N -1 3 385.493 3.539 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(C3CCC3)cnn2C)c1Cl ZINC000657200876 845161939 /nfs/dbraw/zinc/16/19/39/845161939.db2.gz VENBMFIFCVUJFK-UHFFFAOYSA-N -1 3 388.320 3.781 20 0 GHADHM COc1ccc(C[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000179363090 861547789 /nfs/dbraw/zinc/54/77/89/861547789.db2.gz LREWTSJKSLFGCX-GFCCVEGCSA-N -1 3 378.266 3.658 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000512765928 845465273 /nfs/dbraw/zinc/46/52/73/845465273.db2.gz DSFQQVGKNSGWAK-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCCOc1cccc(F)c1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001211786040 845479993 /nfs/dbraw/zinc/47/99/93/845479993.db2.gz QKENXYWBQJKQLL-UHFFFAOYSA-N -1 3 379.432 3.795 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000431278841 845490739 /nfs/dbraw/zinc/49/07/39/845490739.db2.gz IEKODCLFGASRQF-CJNGLKHVSA-N -1 3 391.464 3.713 20 0 GHADHM Cc1cc([C@H]2CCN(C(=O)NCc3ccc([O-])c(F)c3)C2)c(O)cc1Cl ZINC000664193159 845517933 /nfs/dbraw/zinc/51/79/33/845517933.db2.gz RETOBBOHNHWXBE-ZDUSSCGKSA-N -1 3 378.831 3.898 20 0 GHADHM CCc1ccc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000513485820 845537160 /nfs/dbraw/zinc/53/71/60/845537160.db2.gz TWDAXKMSYRWDLK-MRXNPFEDSA-N -1 3 377.444 3.544 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000433165634 845550066 /nfs/dbraw/zinc/55/00/66/845550066.db2.gz ININTQZRDGFTML-UHFFFAOYSA-N -1 3 382.423 3.748 20 0 GHADHM CCCN(Cc1ccc(C)cc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000611565672 845788604 /nfs/dbraw/zinc/78/86/04/845788604.db2.gz QODAYCKILPZARQ-UHFFFAOYSA-N -1 3 399.516 3.800 20 0 GHADHM CN(C[C@H]1CCCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC001167516903 846018930 /nfs/dbraw/zinc/01/89/30/846018930.db2.gz KEZQWFURZYOLDK-GOSISDBHSA-N -1 3 398.507 3.681 20 0 GHADHM CC(C)(C)OC(=O)NCCC1CN(Cc2cccc([O-])c2Br)C1 ZINC001140550051 846257152 /nfs/dbraw/zinc/25/71/52/846257152.db2.gz COFRCJIBAMHEOK-UHFFFAOYSA-N -1 3 385.302 3.501 20 0 GHADHM Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000179641970 861679716 /nfs/dbraw/zinc/67/97/16/861679716.db2.gz JGBHJWYZBPQHDG-UHFFFAOYSA-N -1 3 388.880 3.974 20 0 GHADHM C[C@H]1CC(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C[C@H](C)C1 ZINC000421680193 846482314 /nfs/dbraw/zinc/48/23/14/846482314.db2.gz AYOCOLDRXNVBIR-RKDXNWHRSA-N -1 3 382.224 3.641 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Cc4ccc(F)cc4)C3)nc2)n1 ZINC000119931120 846512843 /nfs/dbraw/zinc/51/28/43/846512843.db2.gz ISYGMCAUMTVACP-MRXNPFEDSA-N -1 3 378.451 3.602 20 0 GHADHM CN(C)c1nc(C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc(=O)[n-]1 ZINC000434106197 846532924 /nfs/dbraw/zinc/53/29/24/846532924.db2.gz JRWADEMMVZLIHR-HNNXBMFYSA-N -1 3 394.397 3.634 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc2ccsc21 ZINC000502897066 846590860 /nfs/dbraw/zinc/59/08/60/846590860.db2.gz XUVADNCIMOIJTB-UHFFFAOYSA-N -1 3 386.907 3.533 20 0 GHADHM COc1ccc(NC(=O)CCSCc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000419582714 846656937 /nfs/dbraw/zinc/65/69/37/846656937.db2.gz GEYVGYIMAZAFND-UHFFFAOYSA-N -1 3 393.896 3.984 20 0 GHADHM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000502969907 846673001 /nfs/dbraw/zinc/67/30/01/846673001.db2.gz NLCGKKGOFIUNIR-FQEVSTJZSA-N -1 3 390.418 3.785 20 0 GHADHM COc1ccc(Oc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cn2)cc1 ZINC000503024915 846719339 /nfs/dbraw/zinc/71/93/39/846719339.db2.gz RCONLKGQUPXZRG-UHFFFAOYSA-N -1 3 379.351 3.545 20 0 GHADHM COc1cc(C)c(Br)cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000501228139 846758273 /nfs/dbraw/zinc/75/82/73/846758273.db2.gz DORVHKVOXYFEKF-UHFFFAOYSA-N -1 3 391.225 3.705 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(CCc1cccc(F)c1)C1CC1 ZINC000501279431 846799255 /nfs/dbraw/zinc/79/92/55/846799255.db2.gz FFSVYDLRDCZEJV-UHFFFAOYSA-N -1 3 386.373 3.793 20 0 GHADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(OCc2ccccn2)c1 ZINC000503132285 846836093 /nfs/dbraw/zinc/83/60/93/846836093.db2.gz PVUMTXWDNFUMNB-ZDUSSCGKSA-N -1 3 391.406 3.562 20 0 GHADHM CSC[C@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000582316073 846838554 /nfs/dbraw/zinc/83/85/54/846838554.db2.gz WJODESKBKBBTOD-QMMMGPOBSA-N -1 3 380.271 3.751 20 0 GHADHM COc1cccc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)c2nccn2C)c1 ZINC000375687701 846843004 /nfs/dbraw/zinc/84/30/04/846843004.db2.gz BZGMBXPKCIQUAP-OAQYLSRUSA-N -1 3 387.439 3.807 20 0 GHADHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(F)c(C)cc3F)C2)cc1F ZINC000501447325 846932899 /nfs/dbraw/zinc/93/28/99/846932899.db2.gz FFJMORFHAINHLM-JOCQHMNTSA-N -1 3 385.407 3.645 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCC[C@@H]3CCCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000431391738 846995804 /nfs/dbraw/zinc/99/58/04/846995804.db2.gz WLXSQSWACAOANU-LPHOPBHVSA-N -1 3 384.480 3.610 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3cc(F)cc4n[n-]nc43)cc2)cs1 ZINC000501561860 847022377 /nfs/dbraw/zinc/02/23/77/847022377.db2.gz ONUSIZMAZVHQJY-UHFFFAOYSA-N -1 3 381.436 3.501 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000731600072 861752518 /nfs/dbraw/zinc/75/25/18/861752518.db2.gz SGROLNXMQNKKBI-HNNXBMFYSA-N -1 3 381.375 3.963 20 0 GHADHM CC(C)OCCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000273054098 847239603 /nfs/dbraw/zinc/23/96/03/847239603.db2.gz IADUKLYTPQXEEA-NRFANRHFSA-N -1 3 398.503 3.575 20 0 GHADHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000048798296 847248131 /nfs/dbraw/zinc/24/81/31/847248131.db2.gz GNUFVKHJXVIMEO-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780376603 847292816 /nfs/dbraw/zinc/29/28/16/847292816.db2.gz FXSRAXIDCKNEKT-UHFFFAOYSA-N -1 3 384.379 3.691 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)c1 ZINC000640311867 847387186 /nfs/dbraw/zinc/38/71/86/847387186.db2.gz SQGFOJGFUNASIU-HNNXBMFYSA-N -1 3 377.286 3.590 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000673810021 861798715 /nfs/dbraw/zinc/79/87/15/861798715.db2.gz UKUZMSHBOXYRHK-SJKOYZFVSA-N -1 3 381.350 3.976 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4c(cnn4-c4ccccc4)C3)nc2)n1 ZINC000503282748 847557375 /nfs/dbraw/zinc/55/73/75/847557375.db2.gz JSHGGBDXWWKAEJ-UHFFFAOYSA-N -1 3 398.470 3.555 20 0 GHADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc(=O)c2ccccc2[n-]1 ZINC000502264053 847646597 /nfs/dbraw/zinc/64/65/97/847646597.db2.gz ZDKANQGKSIDPBH-UHFFFAOYSA-N -1 3 389.386 3.785 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000421138056 847773363 /nfs/dbraw/zinc/77/33/63/847773363.db2.gz AKKAKBBCTAFOSF-LJQANCHMSA-N -1 3 390.505 3.742 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000421150403 847813522 /nfs/dbraw/zinc/81/35/22/847813522.db2.gz IOJNQKHBVUUQQK-INIZCTEOSA-N -1 3 387.423 3.791 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2ncc3n2CCCC3)cc1 ZINC000421225461 847880406 /nfs/dbraw/zinc/88/04/06/847880406.db2.gz KUEIKHJUNZDJRF-IBGZPJMESA-N -1 3 391.537 3.689 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)Oc3cccc(C)c3)nc(=O)c2c1C ZINC000006972527 847916622 /nfs/dbraw/zinc/91/66/22/847916622.db2.gz ZWRSLWZXTNFLAK-STQMWFEESA-N -1 3 386.473 3.982 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1nc(C(F)(F)F)cs1 ZINC000632286268 848200062 /nfs/dbraw/zinc/20/00/62/848200062.db2.gz NADYUNKPOYCNHD-RXMQYKEDSA-N -1 3 376.328 3.732 20 0 GHADHM Cc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000061058725 848271103 /nfs/dbraw/zinc/27/11/03/848271103.db2.gz NXCIGAZGIIWYCV-HNNXBMFYSA-N -1 3 381.501 3.829 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1C ZINC000731783185 861890525 /nfs/dbraw/zinc/89/05/25/861890525.db2.gz SZJWTUJYHHXYBE-UHFFFAOYSA-N -1 3 396.459 3.991 20 0 GHADHM CC(C)NC(=O)c1cc(Br)cnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375023 848567358 /nfs/dbraw/zinc/56/73/58/848567358.db2.gz LXJNOMGAGDAGRX-UHFFFAOYSA-N -1 3 386.196 3.710 20 0 GHADHM COc1ccc(-c2nsc([N-]C(=O)c3ncccc3C(F)(F)F)n2)cc1 ZINC000180075717 861938790 /nfs/dbraw/zinc/93/87/90/861938790.db2.gz MCWIWFSEZRSJDO-UHFFFAOYSA-N -1 3 380.351 3.880 20 0 GHADHM CC(C)c1ccccc1NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731894467 861941631 /nfs/dbraw/zinc/94/16/31/861941631.db2.gz SVIRQWPNODIWHI-ZDUSSCGKSA-N -1 3 395.912 3.554 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(Cl)cc3C(=O)[O-])CC[C@H]21 ZINC001142647538 861943553 /nfs/dbraw/zinc/94/35/53/861943553.db2.gz ZXVAMVKUGAPXCG-WMLDXEAASA-N -1 3 394.899 3.870 20 0 GHADHM Cn1c(COc2ccccc2Cl)nnc1Sc1nc2ccccc2c(=O)[n-]1 ZINC000731920813 861959696 /nfs/dbraw/zinc/95/96/96/861959696.db2.gz VJYADYMNHAATOH-UHFFFAOYSA-N -1 3 399.863 3.848 20 0 GHADHM O=C1CCCc2ccc(S(=O)(=O)[N-][C@H](C3CCCC3)C(F)(F)F)cc21 ZINC000583386043 849763918 /nfs/dbraw/zinc/76/39/18/849763918.db2.gz FHAAJFZXSYZJML-MRXNPFEDSA-N -1 3 375.412 3.605 20 0 GHADHM CCOc1cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc(Cl)c1[O-] ZINC000545138938 849823982 /nfs/dbraw/zinc/82/39/82/849823982.db2.gz FVNXCTQJMJHPHZ-UHFFFAOYSA-N -1 3 380.847 3.575 20 0 GHADHM O=C(Nc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000504004803 849835834 /nfs/dbraw/zinc/83/58/34/849835834.db2.gz WPHSZLXUEHKPPZ-UHFFFAOYSA-N -1 3 375.363 3.602 20 0 GHADHM Cc1ccc(C)c(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000908631750 850228728 /nfs/dbraw/zinc/22/87/28/850228728.db2.gz JWVCCKVSCOALSM-QFIPXVFZSA-N -1 3 381.476 3.544 20 0 GHADHM O=C(c1cncc([O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000555879744 862106419 /nfs/dbraw/zinc/10/64/19/862106419.db2.gz NYIJUURDNCPJBR-UHFFFAOYSA-N -1 3 388.830 3.509 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1CCc1ccccc1 ZINC000518881448 850280066 /nfs/dbraw/zinc/28/00/66/850280066.db2.gz KGMQCGWOFFBWJP-UHFFFAOYSA-N -1 3 383.455 3.582 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1CCc1ccccc1 ZINC000518881448 850280076 /nfs/dbraw/zinc/28/00/76/850280076.db2.gz KGMQCGWOFFBWJP-UHFFFAOYSA-N -1 3 383.455 3.582 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCOc3ccccc3C)cc2)cc(=O)[n-]1 ZINC000518911756 850317198 /nfs/dbraw/zinc/31/71/98/850317198.db2.gz XUQLGKXQGSQAFY-UHFFFAOYSA-N -1 3 378.432 3.667 20 0 GHADHM CCC1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)(C(=O)[O-])CC1 ZINC000908752909 850329876 /nfs/dbraw/zinc/32/98/76/850329876.db2.gz SQAJCPRJVIFMOI-LFDOHDQPSA-N -1 3 393.553 3.608 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1nc(-c2ccccc2)oc1C ZINC000486994672 850335172 /nfs/dbraw/zinc/33/51/72/850335172.db2.gz FSWNHRVHTGTYNG-UHFFFAOYSA-N -1 3 397.456 3.953 20 0 GHADHM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000908870299 850419707 /nfs/dbraw/zinc/41/97/07/850419707.db2.gz XOKXRUYWKBTOMA-VQTJNVASSA-N -1 3 389.540 3.600 20 0 GHADHM CCCN(C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[C@H](CC)C(=O)[O-] ZINC000908870285 850420185 /nfs/dbraw/zinc/42/01/85/850420185.db2.gz WZBMIYIPVPVHMU-UXHICEINSA-N -1 3 389.540 3.744 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)no1 ZINC000506689142 850445934 /nfs/dbraw/zinc/44/59/34/850445934.db2.gz JPXRMHJZBJMMPP-UHFFFAOYSA-N -1 3 378.372 3.655 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)s1 ZINC000487139744 850485112 /nfs/dbraw/zinc/48/51/12/850485112.db2.gz WFKFBNDDLKRSGL-AAEUAGOBSA-N -1 3 396.372 3.549 20 0 GHADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)nc12 ZINC000435445077 850534598 /nfs/dbraw/zinc/53/45/98/850534598.db2.gz CJXGSJIZEUVPBM-UHFFFAOYSA-N -1 3 388.251 3.567 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccc1 ZINC000909067011 850559179 /nfs/dbraw/zinc/55/91/79/850559179.db2.gz GQRQBBFXEIOPSM-UTKZUKDTSA-N -1 3 380.488 3.864 20 0 GHADHM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000909095789 850569154 /nfs/dbraw/zinc/56/91/54/850569154.db2.gz XKKHZJWAHGTVPS-LQWHRVPQSA-N -1 3 395.503 3.507 20 0 GHADHM O=C([O-])c1cc2cc(NC(=O)CC3(N4CCOCC4)CCCC3)ccc2s1 ZINC000909119176 850580344 /nfs/dbraw/zinc/58/03/44/850580344.db2.gz LEZRIFNTDQQLPQ-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000424716869 850640096 /nfs/dbraw/zinc/64/00/96/850640096.db2.gz CDDKYAHFBJGHGP-ZFWWWQNUSA-N -1 3 382.863 3.751 20 0 GHADHM CCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1cccc(Cl)c1 ZINC000505123181 850647367 /nfs/dbraw/zinc/64/73/67/850647367.db2.gz LRCSPBNSKPJUSW-UHFFFAOYSA-N -1 3 384.802 3.751 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000487321195 850674908 /nfs/dbraw/zinc/67/49/08/850674908.db2.gz COHFQWRHTXVJDG-UHFFFAOYSA-N -1 3 395.502 3.541 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909748913 850772435 /nfs/dbraw/zinc/77/24/35/850772435.db2.gz JIFUHBHNMGSDNR-FXAWDEMLSA-N -1 3 398.478 3.540 20 0 GHADHM Cc1cccc([C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1C ZINC000909796550 850778006 /nfs/dbraw/zinc/77/80/06/850778006.db2.gz OZGVIXAEANORPR-WIYYLYMNSA-N -1 3 398.478 3.597 20 0 GHADHM Cc1cccc([C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(=O)[O-])c1C ZINC000909805049 850798713 /nfs/dbraw/zinc/79/87/13/850798713.db2.gz WDRQTWWBAPPYTD-OAQYLSRUSA-N -1 3 380.488 3.845 20 0 GHADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1nnc2ccccc2c1[O-] ZINC000732280646 862173521 /nfs/dbraw/zinc/17/35/21/862173521.db2.gz NOBRBJRVLYIUHX-UHFFFAOYSA-N -1 3 395.422 3.604 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000732277372 862172742 /nfs/dbraw/zinc/17/27/42/862172742.db2.gz HWQFSBKTFSCIFX-UHFFFAOYSA-N -1 3 380.404 3.792 20 0 GHADHM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)[C@@H]2CCCC[C@H]12 ZINC000909957505 850870473 /nfs/dbraw/zinc/87/04/73/850870473.db2.gz DAMSJFPPFNQDIG-NJDAHSKKSA-N -1 3 384.520 3.778 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCc1cnc(C)[n-]c1=O ZINC000435815277 850873879 /nfs/dbraw/zinc/87/38/79/850873879.db2.gz BRMSXDOOVJQDSJ-UHFFFAOYSA-N -1 3 393.230 3.691 20 0 GHADHM CC[C@H](c1n[n-]c(=NC(=O)N(CCN(C)C)CC(C)C)s1)c1ccccc1 ZINC000443914502 862185362 /nfs/dbraw/zinc/18/53/62/862185362.db2.gz GCQAABZVKMHQOR-KRWDZBQOSA-N -1 3 389.569 3.553 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000048230242 850933813 /nfs/dbraw/zinc/93/38/13/850933813.db2.gz CHIYFRQBBUIIFJ-GJZGRUSLSA-N -1 3 378.469 3.549 20 0 GHADHM COC(=O)c1ccc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)[n-]1 ZINC000426614610 850957539 /nfs/dbraw/zinc/95/75/39/850957539.db2.gz DWWKVIBZPOCCIM-UHFFFAOYSA-N -1 3 388.221 3.694 20 0 GHADHM Cc1c(NC(=O)[C@H]2CCCN2C2CCCC2)cc(Br)cc1C(=O)[O-] ZINC000910079691 850976836 /nfs/dbraw/zinc/97/68/36/850976836.db2.gz CFELJUVSUQIKAL-MRXNPFEDSA-N -1 3 395.297 3.801 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000604423875 862196094 /nfs/dbraw/zinc/19/60/94/862196094.db2.gz ISNAGMMCEJCYCX-GJZGRUSLSA-N -1 3 397.541 3.795 20 0 GHADHM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000434373290 851047717 /nfs/dbraw/zinc/04/77/17/851047717.db2.gz NYMDDFDDTRDHQT-UHFFFAOYSA-N -1 3 398.466 3.778 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)c2nc3cc(Cl)ccc3s2)c(=O)[n-]1 ZINC000435972462 851048244 /nfs/dbraw/zinc/04/82/44/851048244.db2.gz LMLQXQWSEJGLMN-UHFFFAOYSA-N -1 3 376.869 3.658 20 0 GHADHM Cc1cc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(OC(F)F)cc1C ZINC000426636684 851069963 /nfs/dbraw/zinc/06/99/63/851069963.db2.gz APDSIMOBYAKHMU-KRWDZBQOSA-N -1 3 383.366 3.666 20 0 GHADHM O=C([O-])C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1Cl ZINC000910403888 851173887 /nfs/dbraw/zinc/17/38/87/851173887.db2.gz LXXPGCVALXSSKV-LJQANCHMSA-N -1 3 386.879 3.882 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000436102480 851198833 /nfs/dbraw/zinc/19/88/33/851198833.db2.gz LQIYJXLGGZCQSB-QGZVFWFLSA-N -1 3 383.835 3.983 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)c(C)c1 ZINC000515632030 851274447 /nfs/dbraw/zinc/27/44/47/851274447.db2.gz CRCPWEPHCQABBR-UHFFFAOYSA-N -1 3 385.489 3.915 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000473631813 851312061 /nfs/dbraw/zinc/31/20/61/851312061.db2.gz ZTCUDWPFELEADQ-UHFFFAOYSA-N -1 3 378.306 3.876 20 0 GHADHM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1ncccc1[O-] ZINC000473636824 851327270 /nfs/dbraw/zinc/32/72/70/851327270.db2.gz HMYQBQWYVMLHBT-UHFFFAOYSA-N -1 3 387.443 3.710 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1c(F)cccc1F ZINC000048445577 851408041 /nfs/dbraw/zinc/40/80/41/851408041.db2.gz CWTDZVUBBGSEGU-ZETCQYMHSA-N -1 3 382.251 3.828 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110785921 851441010 /nfs/dbraw/zinc/44/10/10/851441010.db2.gz VYWDIPRIDZMJPS-KGLIPLIRSA-N -1 3 388.258 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110785921 851441020 /nfs/dbraw/zinc/44/10/20/851441020.db2.gz VYWDIPRIDZMJPS-KGLIPLIRSA-N -1 3 388.258 3.593 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000509988204 851517539 /nfs/dbraw/zinc/51/75/39/851517539.db2.gz WHNKIKTTXFPQPH-MNOVXSKESA-N -1 3 385.835 3.842 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000120309579 851604989 /nfs/dbraw/zinc/60/49/89/851604989.db2.gz AMVVKJPOBQBCRF-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccsc1 ZINC000911190629 851614052 /nfs/dbraw/zinc/61/40/52/851614052.db2.gz HWYOSPUQBVMQRI-SFHVURJKSA-N -1 3 399.516 3.669 20 0 GHADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488686690 851695244 /nfs/dbraw/zinc/69/52/44/851695244.db2.gz ORBMTYXBHYPCSB-NSHDSACASA-N -1 3 394.240 3.819 20 0 GHADHM Cc1cc(OCC(=O)NCc2ccc([O-])c(Br)c2)ccc1Cl ZINC000488673405 851699500 /nfs/dbraw/zinc/69/95/00/851699500.db2.gz ZUTMYJZOVYPELC-UHFFFAOYSA-N -1 3 384.657 3.812 20 0 GHADHM Cc1c(Cl)cccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488680915 851703030 /nfs/dbraw/zinc/70/30/30/851703030.db2.gz YLSHJULYHBUGFS-UHFFFAOYSA-N -1 3 384.657 3.812 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cc(F)ccc1Cl ZINC000488726546 851715390 /nfs/dbraw/zinc/71/53/90/851715390.db2.gz OOVBMJCAMWCJNW-CYBMUJFWSA-N -1 3 376.236 3.935 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000911545206 851780040 /nfs/dbraw/zinc/78/00/40/851780040.db2.gz HCNCGZPMVRNPLU-YZVOILCLSA-N -1 3 386.517 3.673 20 0 GHADHM CCc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000488910015 851866434 /nfs/dbraw/zinc/86/64/34/851866434.db2.gz GAPGNTSCYXEDDU-UHFFFAOYSA-N -1 3 396.278 3.830 20 0 GHADHM O=C([O-])CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911771688 851886662 /nfs/dbraw/zinc/88/66/62/851886662.db2.gz CFMBCVKZCNPKAZ-LEWJYISDSA-N -1 3 398.478 3.555 20 0 GHADHM O=C(c1cccnc1SCc1ccc(F)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851451 851932755 /nfs/dbraw/zinc/93/27/55/851932755.db2.gz GCPTZGOQIHYBEB-CQSZACIVSA-N -1 3 398.463 3.571 20 0 GHADHM O=C(c1cccnc1SCc1ccc(F)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851450 851933076 /nfs/dbraw/zinc/93/30/76/851933076.db2.gz GCPTZGOQIHYBEB-AWEZNQCLSA-N -1 3 398.463 3.571 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c2ccccc12 ZINC000436474709 851960845 /nfs/dbraw/zinc/96/08/45/851960845.db2.gz FFMKRYWKWGBEGP-UHFFFAOYSA-N -1 3 398.419 3.573 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2c[nH]c3ccc(F)cc23)[nH][n-]1 ZINC000604601359 862303882 /nfs/dbraw/zinc/30/38/82/862303882.db2.gz GBJBJTOTMQITGK-UHFFFAOYSA-N -1 3 398.825 3.962 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1[O-] ZINC000436511063 851999624 /nfs/dbraw/zinc/99/96/24/851999624.db2.gz GHWMTVHMIWFMCM-UHFFFAOYSA-N -1 3 395.440 3.661 20 0 GHADHM COC1(OC)CC2(CN(C(=O)c3cc4sccc4c([O-])c3)[C@H]2C(C)C)C1 ZINC000911996240 852016052 /nfs/dbraw/zinc/01/60/52/852016052.db2.gz XACKEMARGOJVHI-KRWDZBQOSA-N -1 3 375.490 3.857 20 0 GHADHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436534764 852025552 /nfs/dbraw/zinc/02/55/52/852025552.db2.gz QCLZLIWTKGJOQZ-GOSISDBHSA-N -1 3 384.501 3.978 20 0 GHADHM CCc1cccnc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436555420 852044403 /nfs/dbraw/zinc/04/44/03/852044403.db2.gz IXUNBXIKWSKMML-FQEVSTJZSA-N -1 3 389.455 3.850 20 0 GHADHM CCCC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436555571 852044521 /nfs/dbraw/zinc/04/45/21/852044521.db2.gz JJELUWJDTSKNGR-HXUWFJFHSA-N -1 3 380.488 3.950 20 0 GHADHM O=C(Nc1cnn(CC(F)(F)F)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436537895 852046040 /nfs/dbraw/zinc/04/60/40/852046040.db2.gz PPEATFIHHAZODT-UHFFFAOYSA-N -1 3 375.350 3.994 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000180748588 862313804 /nfs/dbraw/zinc/31/38/04/862313804.db2.gz WVRCWMXCYAVCOK-ZBFHGGJFSA-N -1 3 391.798 3.566 20 0 GHADHM CCN(CC)C(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436539303 852050550 /nfs/dbraw/zinc/05/05/50/852050550.db2.gz NHNYPUYOCXSOND-UHFFFAOYSA-N -1 3 396.487 3.905 20 0 GHADHM COc1cc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)ccc1OCCC(C)C ZINC000436576055 852061225 /nfs/dbraw/zinc/06/12/25/852061225.db2.gz KHLFSCYUFHIXTC-UHFFFAOYSA-N -1 3 385.460 3.958 20 0 GHADHM O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1[O-] ZINC000436572104 852075850 /nfs/dbraw/zinc/07/58/50/852075850.db2.gz CZYMDFIFTYNCQF-UHFFFAOYSA-N -1 3 389.293 3.549 20 0 GHADHM CC(C)c1ccc2occ(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)c2c1 ZINC000436618633 852098507 /nfs/dbraw/zinc/09/85/07/852098507.db2.gz MBXIMLKUEDYDHC-UHFFFAOYSA-N -1 3 392.455 3.860 20 0 GHADHM O=C(NCc1ccnc(N2CCCC2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436611577 852111532 /nfs/dbraw/zinc/11/15/32/852111532.db2.gz LDVNTYLGWKVZOR-UHFFFAOYSA-N -1 3 387.483 3.908 20 0 GHADHM C[C@H](OC(=O)Nc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001143578007 852135157 /nfs/dbraw/zinc/13/51/57/852135157.db2.gz VZSMMKOPYVKDQD-JTQLQIEISA-N -1 3 379.210 3.730 20 0 GHADHM C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC12CCCCC2 ZINC000436663447 852160847 /nfs/dbraw/zinc/16/08/47/852160847.db2.gz LVZQUGQHYXPZAO-IEBWSBKVSA-N -1 3 384.520 3.816 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436668391 852167125 /nfs/dbraw/zinc/16/71/25/852167125.db2.gz WQPKIVDWBAXTBG-SFHVURJKSA-N -1 3 386.879 3.838 20 0 GHADHM COc1cc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)cc(OC)c1[O-] ZINC000436692337 852198709 /nfs/dbraw/zinc/19/87/09/852198709.db2.gz WYECUNGOWXMUPZ-UHFFFAOYSA-N -1 3 378.331 3.652 20 0 GHADHM CCSCc1cccc(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000436690151 852199611 /nfs/dbraw/zinc/19/96/11/852199611.db2.gz HAZWZELTXYWUJW-UHFFFAOYSA-N -1 3 394.500 3.637 20 0 GHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(Br)cc1F ZINC000023345621 852199762 /nfs/dbraw/zinc/19/97/62/852199762.db2.gz ZWNPXJYLOSJEAT-UHFFFAOYSA-N -1 3 397.225 3.927 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3[n-]cnc3C(F)(F)F)c2C1 ZINC000912354246 852217939 /nfs/dbraw/zinc/21/79/39/852217939.db2.gz VTIWYUSBAJHOPU-UHFFFAOYSA-N -1 3 396.369 3.932 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3nc[n-]c3C(F)(F)F)c2C1 ZINC000912354246 852217949 /nfs/dbraw/zinc/21/79/49/852217949.db2.gz VTIWYUSBAJHOPU-UHFFFAOYSA-N -1 3 396.369 3.932 20 0 GHADHM Cn1cc(-c2nc3ccccn3c2NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000436701340 852218916 /nfs/dbraw/zinc/21/89/16/852218916.db2.gz COEMNCHGULWBGK-UHFFFAOYSA-N -1 3 387.443 3.572 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c([O-])c1 ZINC000436704252 852223021 /nfs/dbraw/zinc/22/30/21/852223021.db2.gz GOWCGTZXCFJNBU-HNNXBMFYSA-N -1 3 375.387 3.753 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1OC ZINC000517664713 852239715 /nfs/dbraw/zinc/23/97/15/852239715.db2.gz DCZKLUNHFDLVQN-UHFFFAOYSA-N -1 3 399.472 3.704 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436722459 852248569 /nfs/dbraw/zinc/24/85/69/852248569.db2.gz JKNAOBXMOPFMJJ-QZTJIDSGSA-N -1 3 392.499 3.666 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ncccc1OCC(F)(F)F ZINC000473588332 852248777 /nfs/dbraw/zinc/24/87/77/852248777.db2.gz HGNGVRZVKSHZOY-UHFFFAOYSA-N -1 3 380.244 3.999 20 0 GHADHM Cc1ccc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC000436737964 852254598 /nfs/dbraw/zinc/25/45/98/852254598.db2.gz KXLAHJCECNONBF-UHFFFAOYSA-N -1 3 388.467 3.678 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1I ZINC000112333838 852255895 /nfs/dbraw/zinc/25/58/95/852255895.db2.gz IKXHSLONACPYLX-UHFFFAOYSA-N -1 3 387.242 3.709 20 0 GHADHM CC1=C[C@H](C)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000438333354 852258003 /nfs/dbraw/zinc/25/80/03/852258003.db2.gz UOQOUHFCTUYMOQ-VIFPVBQESA-N -1 3 395.684 3.982 20 0 GHADHM CN1CC[C@H](CNC(=O)c2cc(F)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436733255 852275118 /nfs/dbraw/zinc/27/51/18/852275118.db2.gz VCSSPLYLFPDLFR-KZULUSFZSA-N -1 3 380.822 3.747 20 0 GHADHM C[C@@H](CCC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436746545 852286847 /nfs/dbraw/zinc/28/68/47/852286847.db2.gz YQFDDJJKFYGXHN-KRWDZBQOSA-N -1 3 387.524 3.609 20 0 GHADHM CN(C)C(=O)c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436755407 852302331 /nfs/dbraw/zinc/30/23/31/852302331.db2.gz MPXCCWKZLXDTAD-UHFFFAOYSA-N -1 3 390.439 3.816 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)CCC2)cc1 ZINC000473850187 852306664 /nfs/dbraw/zinc/30/66/64/852306664.db2.gz NCJOTBZCSPHFAF-LJQANCHMSA-N -1 3 383.492 3.778 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(-c3ccccn3)s2)cc1 ZINC000426722147 852306879 /nfs/dbraw/zinc/30/68/79/852306879.db2.gz GLKATHKQJMUMEX-KRWDZBQOSA-N -1 3 383.473 3.909 20 0 GHADHM CC[C@H](C)Oc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436774853 852307607 /nfs/dbraw/zinc/30/76/07/852307607.db2.gz NXRSZRMHXSCGFS-INIZCTEOSA-N -1 3 396.487 3.604 20 0 GHADHM O=C([O-])[C@H](CNCc1csc(-c2ccccn2)n1)Cc1cccc(Cl)c1 ZINC000426706678 852311735 /nfs/dbraw/zinc/31/17/35/852311735.db2.gz WBICPUVZVHLJJI-AWEZNQCLSA-N -1 3 387.892 3.892 20 0 GHADHM C[C@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1 ZINC000473849464 852384144 /nfs/dbraw/zinc/38/41/44/852384144.db2.gz KHDGBBKPWPBXSG-IAQYHMDHSA-N -1 3 378.270 3.578 20 0 GHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1OCC ZINC000426821054 852432098 /nfs/dbraw/zinc/43/20/98/852432098.db2.gz PKHTVQOVHXXEPI-LJQANCHMSA-N -1 3 377.412 3.547 20 0 GHADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1OC ZINC000426823808 852436170 /nfs/dbraw/zinc/43/61/70/852436170.db2.gz KHKWLUSSZHCJON-IBGZPJMESA-N -1 3 393.867 3.598 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436857633 852444178 /nfs/dbraw/zinc/44/41/78/852444178.db2.gz BFUOJLQWKSNDBA-KUHUBIRLSA-N -1 3 382.460 3.973 20 0 GHADHM CC(C)n1cnnc1CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436858968 852444289 /nfs/dbraw/zinc/44/42/89/852444289.db2.gz IYIFWGNCZFKUJQ-UHFFFAOYSA-N -1 3 378.476 3.622 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436913746 852490863 /nfs/dbraw/zinc/49/08/63/852490863.db2.gz JTLWVVRAFBCDDD-BSIFCXSSSA-N -1 3 380.488 3.948 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436927054 852508125 /nfs/dbraw/zinc/50/81/25/852508125.db2.gz NZSBFAZJDRBXFA-LRQRDZAKSA-N -1 3 380.488 3.948 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000133018821 862364869 /nfs/dbraw/zinc/36/48/69/862364869.db2.gz VLUXUOVKZHOINT-HXUWFJFHSA-N -1 3 392.430 3.709 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(F)cc2)c1 ZINC000436948855 852531866 /nfs/dbraw/zinc/53/18/66/852531866.db2.gz IHRIGNKIONHKKN-LBPRGKRZSA-N -1 3 397.406 3.614 20 0 GHADHM CCc1cc(C)cc(CC)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436963359 852533634 /nfs/dbraw/zinc/53/36/34/852533634.db2.gz PLEKSMINRBLJDL-UHFFFAOYSA-N -1 3 395.503 3.815 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436962504 852534380 /nfs/dbraw/zinc/53/43/80/852534380.db2.gz BZCREOVXDSIIKY-HNAYVOBHSA-N -1 3 384.451 3.569 20 0 GHADHM CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436955303 852544385 /nfs/dbraw/zinc/54/43/85/852544385.db2.gz DGURMVXBDXZERP-XJKSGUPXSA-N -1 3 387.505 3.599 20 0 GHADHM O=C(NCc1ccnc(-n2cccn2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436953936 852544671 /nfs/dbraw/zinc/54/46/71/852544671.db2.gz SRKFGZGNHFSQPJ-UHFFFAOYSA-N -1 3 386.411 3.695 20 0 GHADHM CON(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000912725006 852558039 /nfs/dbraw/zinc/55/80/39/852558039.db2.gz YTXWOVGKDNSYHW-SNVBAGLBSA-N -1 3 381.354 3.843 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3[C@@H](C)CCC[C@@H]3C)cs2)c1 ZINC000436975839 852562050 /nfs/dbraw/zinc/56/20/50/852562050.db2.gz ABIKDYWBVFSTBD-KBPBESRZSA-N -1 3 387.505 3.741 20 0 GHADHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000426964363 852577463 /nfs/dbraw/zinc/57/74/63/852577463.db2.gz PMSVKVFBVYTBQF-KKVAFCGZSA-N -1 3 392.503 3.777 20 0 GHADHM O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1cccnc1C(F)(F)F ZINC000516501833 852656296 /nfs/dbraw/zinc/65/62/96/852656296.db2.gz VPNWEMHXVAYILG-UHFFFAOYSA-N -1 3 396.843 3.824 20 0 GHADHM Cc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000427036344 852660181 /nfs/dbraw/zinc/66/01/81/852660181.db2.gz BCKFQCWUXQBMHI-LLVKDONJSA-N -1 3 381.295 3.656 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000516537681 852713697 /nfs/dbraw/zinc/71/36/97/852713697.db2.gz MSLQERFNIGWHKU-GXTWGEPZSA-N -1 3 396.871 3.983 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000437099261 852732645 /nfs/dbraw/zinc/73/26/45/852732645.db2.gz QYUJVJRJGILRFW-UHFFFAOYSA-N -1 3 386.382 3.579 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cc(OC)c1[O-] ZINC000490174360 852805302 /nfs/dbraw/zinc/80/53/02/852805302.db2.gz ODGFDPWJFBBHKL-QHCPKHFHSA-N -1 3 381.472 3.920 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N=c2[n-]nc(C(C)(C)C)s2)N2CCCC2)cc1 ZINC000490311764 852935002 /nfs/dbraw/zinc/93/50/02/852935002.db2.gz AUZBSSNQVVCXEC-MRXNPFEDSA-N -1 3 387.553 3.525 20 0 GHADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)ccc2n(C)c1=O ZINC000427308911 852968605 /nfs/dbraw/zinc/96/86/05/852968605.db2.gz NOHGFOXPFJUKQQ-UHFFFAOYSA-N -1 3 384.501 3.846 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)N3CCOCC3)c2)cc(C)c1F ZINC000437308263 853003017 /nfs/dbraw/zinc/00/30/17/853003017.db2.gz LPDCXSLFUVRUJO-MRXNPFEDSA-N -1 3 392.496 3.637 20 0 GHADHM Cc1cc[nH]c1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000437347364 853045687 /nfs/dbraw/zinc/04/56/87/853045687.db2.gz MURMQWLQBSNDMJ-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)CCOc3ccccc3OC)nc2)n1 ZINC000664627173 853055741 /nfs/dbraw/zinc/05/57/41/853055741.db2.gz ZPEREDOBRUGYJW-UHFFFAOYSA-N -1 3 394.475 3.721 20 0 GHADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)Nc1n[n-]c(SCCO)n1 ZINC000490570233 853098116 /nfs/dbraw/zinc/09/81/16/853098116.db2.gz WDGLRUCZBZMDOS-UHFFFAOYSA-N -1 3 389.308 3.547 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(C)n1-c1nccs1 ZINC000913299483 853209295 /nfs/dbraw/zinc/20/92/95/853209295.db2.gz LRSCKOUCCWSOMH-UHFFFAOYSA-N -1 3 396.428 3.573 20 0 GHADHM Cc1cc(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(C)n1-c1nccs1 ZINC000913299483 853209306 /nfs/dbraw/zinc/20/93/06/853209306.db2.gz LRSCKOUCCWSOMH-UHFFFAOYSA-N -1 3 396.428 3.573 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ccccc1SC(F)F ZINC000913298749 853209813 /nfs/dbraw/zinc/20/98/13/853209813.db2.gz CBXPXKYGNLKTBV-UHFFFAOYSA-N -1 3 393.371 3.780 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ccccc1SC(F)F ZINC000913298749 853209824 /nfs/dbraw/zinc/20/98/24/853209824.db2.gz CBXPXKYGNLKTBV-UHFFFAOYSA-N -1 3 393.371 3.780 20 0 GHADHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000439061783 853229782 /nfs/dbraw/zinc/22/97/82/853229782.db2.gz VRPZUTVAIZUYBB-UHFFFAOYSA-N -1 3 395.480 3.780 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc(-c4ccccc4)nc3C)cc2)n1 ZINC000164487826 853246505 /nfs/dbraw/zinc/24/65/05/853246505.db2.gz AHKBNIRXOWNKRP-UHFFFAOYSA-N -1 3 397.438 3.763 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000481868929 862443227 /nfs/dbraw/zinc/44/32/27/862443227.db2.gz NOVJKRDOUMESBW-UHFFFAOYSA-N -1 3 377.506 3.946 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCCC1 ZINC000519673145 853359627 /nfs/dbraw/zinc/35/96/27/853359627.db2.gz LJHSEZMGUITJPX-LLVKDONJSA-N -1 3 377.282 3.989 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)ccc1F ZINC000469360018 853415384 /nfs/dbraw/zinc/41/53/84/853415384.db2.gz HTEXIQKFXKHWLA-AWEZNQCLSA-N -1 3 399.312 3.694 20 0 GHADHM COc1cc2ncc(C(=O)Nc3ccc(OCC4CC4)cc3)c([O-])c2c(OC)c1 ZINC000625584622 862465270 /nfs/dbraw/zinc/46/52/70/862465270.db2.gz XRJRJZOMEHZIIC-UHFFFAOYSA-N -1 3 394.427 3.586 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000519731148 853447480 /nfs/dbraw/zinc/44/74/80/853447480.db2.gz VKETWBKUIRJBFZ-LBPRGKRZSA-N -1 3 377.849 3.849 20 0 GHADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000439259477 853477109 /nfs/dbraw/zinc/47/71/09/853477109.db2.gz NARPCOUVVVNJQH-UHFFFAOYSA-N -1 3 390.221 3.635 20 0 GHADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCOC(C)(C)C1 ZINC000291093750 853574686 /nfs/dbraw/zinc/57/46/86/853574686.db2.gz SQEICXMOINQFMK-ZDUSSCGKSA-N -1 3 385.302 3.644 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000519893437 853591926 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3 386.583 3.690 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1OC ZINC000507733426 853795060 /nfs/dbraw/zinc/79/50/60/853795060.db2.gz PXJNJDSZYUYZJD-UHFFFAOYSA-N -1 3 380.510 3.612 20 0 GHADHM CC[C@@H](NC(=O)CO[N-]C(=O)CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000732804381 862503193 /nfs/dbraw/zinc/50/31/93/862503193.db2.gz IPEYWBHGJHYULH-LJQANCHMSA-N -1 3 388.895 3.978 20 0 GHADHM O=C(N=c1[n-]nc(Cc2ccc(F)cc2)s1)c1ccc(CN2CCCC2)cc1 ZINC000571465188 853885477 /nfs/dbraw/zinc/88/54/77/853885477.db2.gz PKFWIRGFDPGPFT-UHFFFAOYSA-N -1 3 396.491 3.538 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000481913507 862512090 /nfs/dbraw/zinc/51/20/90/862512090.db2.gz GFVHPPVMDDUQGD-UHFFFAOYSA-N -1 3 378.141 3.542 20 0 GHADHM COC(=O)CCCOc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000732819409 862519431 /nfs/dbraw/zinc/51/94/31/862519431.db2.gz XCTRVBDWJJMEEC-UHFFFAOYSA-N -1 3 397.427 3.751 20 0 GHADHM Cc1cc(F)c([N-]C(=O)c2cc(C3CC3)no2)c(I)c1 ZINC000441301651 854068156 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Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000123988535 854473594 /nfs/dbraw/zinc/47/35/94/854473594.db2.gz XSFIHWSZYQOCBC-MRVPVSSYSA-N -1 3 381.342 3.623 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572376382 854494015 /nfs/dbraw/zinc/49/40/15/854494015.db2.gz HHGZHBNGCYUJFI-ZDUSSCGKSA-N -1 3 378.432 3.607 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000481981362 862589359 /nfs/dbraw/zinc/58/93/59/862589359.db2.gz LYSMNOJGYRXTQE-UHFFFAOYSA-N -1 3 378.759 3.517 20 0 GHADHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000068881094 854633669 /nfs/dbraw/zinc/63/36/69/854633669.db2.gz RWQUUAGTKFWKPA-HXUWFJFHSA-N -1 3 398.459 3.625 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C ZINC000729492847 854662938 /nfs/dbraw/zinc/66/29/38/854662938.db2.gz MNWWYZHOLMLFBM-LDYMZIIASA-N -1 3 382.707 3.578 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000330428557 854671152 /nfs/dbraw/zinc/67/11/52/854671152.db2.gz URRBSHOEWQRYFC-GXFFZTMASA-N -1 3 396.734 3.584 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Br)sc2C)n1 ZINC000124979671 854682233 /nfs/dbraw/zinc/68/22/33/854682233.db2.gz OCHHPETYLMEJSJ-ZETCQYMHSA-N -1 3 381.342 3.623 20 0 GHADHM CSc1ccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000732940426 862608775 /nfs/dbraw/zinc/60/87/75/862608775.db2.gz QHUNEUJCHQSAAK-UHFFFAOYSA-N -1 3 396.509 3.511 20 0 GHADHM O=C([N-]c1nc2c(s1)CCN(Cc1ccccc1)C2)c1ocnc1C(F)F ZINC000624476514 854834629 /nfs/dbraw/zinc/83/46/29/854834629.db2.gz WDDVLBCEMSTDAK-UHFFFAOYSA-N -1 3 390.415 3.879 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(=O)c2c(OC)c1 ZINC000624048578 862612915 /nfs/dbraw/zinc/61/29/15/862612915.db2.gz PCUUYBVRSZUINC-UKPHBRMFSA-N -1 3 386.492 3.736 20 0 GHADHM CC(C)(C)SCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000732957042 862623174 /nfs/dbraw/zinc/62/31/74/862623174.db2.gz PITTXLAHGRHRLH-UHFFFAOYSA-N -1 3 383.311 3.552 20 0 GHADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188959431 854977850 /nfs/dbraw/zinc/97/78/50/854977850.db2.gz XFXUHVYAFLYNCW-VOTSOKGWSA-N -1 3 398.835 3.788 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(=O)[n-]1 ZINC000520469371 855105192 /nfs/dbraw/zinc/10/51/92/855105192.db2.gz WHPJCENGFZCNFZ-UHFFFAOYSA-N -1 3 378.388 3.573 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)cc3)cc2)cc(=O)[n-]1 ZINC000520470216 855123193 /nfs/dbraw/zinc/12/31/93/855123193.db2.gz RESJMYGDJXOSJF-CYBMUJFWSA-N -1 3 378.432 3.616 20 0 GHADHM CCCCc1nc(NC(=O)COCc2cccc(Cl)c2)c(C(=O)OCC)[n-]1 ZINC001128073473 855229405 /nfs/dbraw/zinc/22/94/05/855229405.db2.gz GPTKDBYYXPATNA-UHFFFAOYSA-N -1 3 393.871 3.738 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)c(C(=O)OCC)[n-]1 ZINC001128074410 855230368 /nfs/dbraw/zinc/23/03/68/855230368.db2.gz UWWBBFGWSFDXJI-DLBZAZTESA-N -1 3 398.507 3.737 20 0 GHADHM CCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000190038675 855261436 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GHADHM C[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)c(F)c1 ZINC000482098816 862703087 /nfs/dbraw/zinc/70/30/87/862703087.db2.gz FWRRURUQDUOIAZ-VIFPVBQESA-N -1 3 395.207 3.680 20 0 GHADHM CCCCCN(CCCOC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482103404 862705133 /nfs/dbraw/zinc/70/51/33/862705133.db2.gz MZXOTPMRRYDTCG-UHFFFAOYSA-N -1 3 397.317 3.579 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 ZINC000301458705 855697072 /nfs/dbraw/zinc/69/70/72/855697072.db2.gz SBPQGYASWDIEAC-AWEZNQCLSA-N -1 3 391.295 3.714 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000301492415 855702848 /nfs/dbraw/zinc/70/28/48/855702848.db2.gz JHDKIJIKXHGOCL-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000765861385 855830796 /nfs/dbraw/zinc/83/07/96/855830796.db2.gz CWROKWVOJJFRQS-VBKZILBWSA-N -1 3 380.460 3.621 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000101570183 855875487 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CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2csc(C(F)(F)F)c2)n1 ZINC000895104742 856024636 /nfs/dbraw/zinc/02/46/36/856024636.db2.gz IZHDBDRQAGSHDL-LLVKDONJSA-N -1 3 390.431 3.939 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cnc(C3CCCC3)s2)n[n-]1 ZINC000895106100 856046202 /nfs/dbraw/zinc/04/62/02/856046202.db2.gz XWYVXKYEPTYBQE-OAHLLOKOSA-N -1 3 391.541 3.973 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cnc(C3CCCC3)s2)[n-]1 ZINC000895106100 856046212 /nfs/dbraw/zinc/04/62/12/856046212.db2.gz XWYVXKYEPTYBQE-OAHLLOKOSA-N -1 3 391.541 3.973 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cnc(C3CCCC3)s2)n1 ZINC000895106100 856046249 /nfs/dbraw/zinc/04/62/49/856046249.db2.gz XWYVXKYEPTYBQE-OAHLLOKOSA-N -1 3 391.541 3.973 20 0 GHADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436684559 856058332 /nfs/dbraw/zinc/05/83/32/856058332.db2.gz CDMIGWTVJRPXHO-UHFFFAOYSA-N -1 3 378.428 3.930 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C(F)(F)F)s3)no2)c([O-])c1 ZINC000904973961 856093685 /nfs/dbraw/zinc/09/36/85/856093685.db2.gz ZNRIKGPJOXGKPX-UHFFFAOYSA-N -1 3 397.378 3.803 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000520707103 856094734 /nfs/dbraw/zinc/09/47/34/856094734.db2.gz DZTWVDKANQAWOK-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000520707103 856094741 /nfs/dbraw/zinc/09/47/41/856094741.db2.gz DZTWVDKANQAWOK-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485129910 856129216 /nfs/dbraw/zinc/12/92/16/856129216.db2.gz RRJJYOOMJHNZRD-CYBMUJFWSA-N -1 3 395.463 3.632 20 0 GHADHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCCCC1 ZINC000045898142 856129677 /nfs/dbraw/zinc/12/96/77/856129677.db2.gz FHMHLURZDLBUDG-UHFFFAOYSA-N -1 3 384.517 3.697 20 0 GHADHM CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1C ZINC000485125048 856138802 /nfs/dbraw/zinc/13/88/02/856138802.db2.gz YWODPEUDOIKBAQ-UHFFFAOYSA-N -1 3 375.388 3.737 20 0 GHADHM CC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1C ZINC000485125048 856138811 /nfs/dbraw/zinc/13/88/11/856138811.db2.gz YWODPEUDOIKBAQ-UHFFFAOYSA-N -1 3 375.388 3.737 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000530165386 856203650 /nfs/dbraw/zinc/20/36/50/856203650.db2.gz XZUAYCJPKSWBHM-FQEVSTJZSA-N -1 3 389.423 3.512 20 0 GHADHM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2N1 ZINC000032097816 856209477 /nfs/dbraw/zinc/20/94/77/856209477.db2.gz SXEOKEPKAHYWFD-UHFFFAOYSA-N -1 3 388.342 3.530 20 0 GHADHM C[C@@H](CCCNCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000405293568 856233509 /nfs/dbraw/zinc/23/35/09/856233509.db2.gz JIOHVBFDWXHQLJ-VIFPVBQESA-N -1 3 381.641 3.535 20 0 GHADHM CCOc1ccc(OCCN[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000905402079 856303314 /nfs/dbraw/zinc/30/33/14/856303314.db2.gz WXQBXAGBYKWJRE-KRWDZBQOSA-N -1 3 394.265 3.642 20 0 GHADHM CN(CCCN[C@H](C(=O)[O-])c1ccccc1Br)c1ccccc1 ZINC000905395620 856316878 /nfs/dbraw/zinc/31/68/78/856316878.db2.gz NPYYALDYABSKTA-KRWDZBQOSA-N -1 3 377.282 3.691 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427641078 856324078 /nfs/dbraw/zinc/32/40/78/856324078.db2.gz DIICXUYLERARKL-AWEZNQCLSA-N -1 3 393.283 3.972 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000671682838 856372164 /nfs/dbraw/zinc/37/21/64/856372164.db2.gz KQKYQDQDJFJQMQ-UHFFFAOYSA-N -1 3 390.814 3.764 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1Cl ZINC000485384860 856424788 /nfs/dbraw/zinc/42/47/88/856424788.db2.gz AZRFRUSRJOVAKY-UHFFFAOYSA-N -1 3 387.860 3.922 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1CC(F)(F)F)c1cccnc1C(F)(F)F ZINC000625666679 862796407 /nfs/dbraw/zinc/79/64/07/862796407.db2.gz NEBBYWUTWCCYNT-UHFFFAOYSA-N -1 3 398.328 3.684 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1 ZINC000485397359 856443054 /nfs/dbraw/zinc/44/30/54/856443054.db2.gz VHCGRZRIEQXZPN-UHFFFAOYSA-N -1 3 392.481 3.523 20 0 GHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000172351331 856470778 /nfs/dbraw/zinc/47/07/78/856470778.db2.gz QOYSFMQMDXTPDJ-UHFFFAOYSA-N -1 3 375.494 3.600 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000485443248 856553930 /nfs/dbraw/zinc/55/39/30/856553930.db2.gz CYEMPABKLLRCPX-UHFFFAOYSA-N -1 3 379.298 3.923 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000157656588 856597441 /nfs/dbraw/zinc/59/74/41/856597441.db2.gz UDYGKBFPJSOAIO-HNNXBMFYSA-N -1 3 381.403 3.733 20 0 GHADHM O=c1[n-]nc(SCc2cccc(-n3cccn3)c2)n1CCc1ccccc1 ZINC000499472944 856624860 /nfs/dbraw/zinc/62/48/60/856624860.db2.gz GCWPFVOWUNRQAK-UHFFFAOYSA-N -1 3 377.473 3.704 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c(=O)[n-]1 ZINC000427806013 856747985 /nfs/dbraw/zinc/74/79/85/856747985.db2.gz PUCLVKHSDGIZBD-UHFFFAOYSA-N -1 3 387.443 3.914 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507985924 856772325 /nfs/dbraw/zinc/77/23/25/856772325.db2.gz LPRJXBVOFZXGKT-UHFFFAOYSA-N -1 3 377.388 3.636 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508082046 856876399 /nfs/dbraw/zinc/87/63/99/856876399.db2.gz FTGJFUPDPAABIX-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CCC(c4noc(C(C)C)n4)CC3)c2c1 ZINC000569107436 856912835 /nfs/dbraw/zinc/91/28/35/856912835.db2.gz WBYQLBNLXOEGPO-UHFFFAOYSA-N -1 3 396.447 3.832 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000063273919 856919182 /nfs/dbraw/zinc/91/91/82/856919182.db2.gz IIXDBQVWMRVJSN-HNNXBMFYSA-N -1 3 390.480 3.889 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000046894446 856942570 /nfs/dbraw/zinc/94/25/70/856942570.db2.gz XQLNLGMRJUICHF-FQEVSTJZSA-N -1 3 395.503 3.647 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(Cl)c(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485703881 856954202 /nfs/dbraw/zinc/95/42/02/856954202.db2.gz VBINIVITDWMYGA-UHFFFAOYSA-N -1 3 379.844 3.843 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c(C(=O)OCC)[n-]1 ZINC000485701683 856977015 /nfs/dbraw/zinc/97/70/15/856977015.db2.gz PEMRLOCEDVXMQA-MRXNPFEDSA-N -1 3 385.464 3.685 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCc3[nH]c4ccc(Br)cc4c3C2)n1 ZINC000675181900 857076364 /nfs/dbraw/zinc/07/63/64/857076364.db2.gz LFRMPOBGXZHUKS-UHFFFAOYSA-N -1 3 387.281 3.547 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)c(OC[C@H]2CCCO2)c1 ZINC000057123898 857149347 /nfs/dbraw/zinc/14/93/47/857149347.db2.gz RNSFUCHHVIPDCD-GOSISDBHSA-N -1 3 375.490 3.537 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCC1)c1cccnc1C(F)(F)F ZINC000672401475 857261686 /nfs/dbraw/zinc/26/16/86/857261686.db2.gz UOWVUPLZLANGHN-UHFFFAOYSA-N -1 3 399.438 3.569 20 0 GHADHM Cc1cc([C@H](NCc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])ccc1Cl ZINC000656572750 857375027 /nfs/dbraw/zinc/37/50/27/857375027.db2.gz LNCRJOOQZMNNOG-MJGOQNOKSA-N -1 3 375.852 3.732 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)[C@@H]1CCOC1 ZINC000656628592 857423254 /nfs/dbraw/zinc/42/32/54/857423254.db2.gz PLPSEIFVWIPOEG-DYVFJYSZSA-N -1 3 383.897 3.595 20 0 GHADHM C[C@H](COc1c(F)cccc1F)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001212464908 857502614 /nfs/dbraw/zinc/50/26/14/857502614.db2.gz LAGMTXHJLCGTNP-SECBINFHSA-N -1 3 379.787 3.503 20 0 GHADHM COc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000486207704 857542380 /nfs/dbraw/zinc/54/23/80/857542380.db2.gz OQHVAJAOQUJJDV-TZMCWYRMSA-N -1 3 381.350 3.714 20 0 GHADHM CCCC(=O)Nc1cccc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1C ZINC000063107759 857590860 /nfs/dbraw/zinc/59/08/60/857590860.db2.gz USBURZFXXMIMAJ-UHFFFAOYSA-N -1 3 393.443 3.836 20 0 GHADHM CCO[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063306011 857606335 /nfs/dbraw/zinc/60/63/35/857606335.db2.gz ZFGFVQYNUZWTJS-SFHVURJKSA-N -1 3 390.505 3.858 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)c(C(F)(F)F)n1 ZINC000281282791 862936230 /nfs/dbraw/zinc/93/62/30/862936230.db2.gz MCPVFWQCSKCSCX-UHFFFAOYSA-N -1 3 397.382 3.701 20 0 GHADHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)c1O ZINC000593704713 857662914 /nfs/dbraw/zinc/66/29/14/857662914.db2.gz QJNWSKVEXNJNGN-UHFFFAOYSA-N -1 3 396.827 3.696 20 0 GHADHM C[C@@H](C1CC1)n1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC000907521937 857672278 /nfs/dbraw/zinc/67/22/78/857672278.db2.gz IFZYRIUKMDJKTD-JTQLQIEISA-N -1 3 377.470 3.910 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccn1 ZINC000521159574 857682606 /nfs/dbraw/zinc/68/26/06/857682606.db2.gz ADFTVZYGQSQZOI-OAHLLOKOSA-N -1 3 379.460 3.667 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000593862707 857748518 /nfs/dbraw/zinc/74/85/18/857748518.db2.gz XRRAJDKTYPAIMR-SJLPKXTDSA-N -1 3 385.435 3.760 20 0 GHADHM Cc1ccc([C@H](CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC000907806436 857773688 /nfs/dbraw/zinc/77/36/88/857773688.db2.gz KZRUSYZXXBPKRA-AWRGLXIESA-N -1 3 392.499 3.507 20 0 GHADHM CCn1nc(C(F)(F)F)c(C(=O)NCc2ccc([O-])c(F)c2)c1C(F)F ZINC000676217626 857783140 /nfs/dbraw/zinc/78/31/40/857783140.db2.gz UGUNWUCNBZGVNH-UHFFFAOYSA-N -1 3 381.276 3.634 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C3CC3)C3CCC(C)CC3)n[n-]2)o1 ZINC000733450128 862950898 /nfs/dbraw/zinc/95/08/98/862950898.db2.gz BQMQRUZSXJDYCE-UHFFFAOYSA-N -1 3 385.464 3.705 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C3CC3)C3CCC(C)CC3)[n-]n2)o1 ZINC000733450128 862950916 /nfs/dbraw/zinc/95/09/16/862950916.db2.gz BQMQRUZSXJDYCE-UHFFFAOYSA-N -1 3 385.464 3.705 20 0 GHADHM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1nnc2ccccc2c1[O-] ZINC000804127264 857809870 /nfs/dbraw/zinc/80/98/70/857809870.db2.gz VZOYMIRLMSULLK-SFHVURJKSA-N -1 3 397.862 3.887 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCCC4)n1 ZINC000131872297 857845797 /nfs/dbraw/zinc/84/57/97/857845797.db2.gz OHKJIKFJBQZOOW-SNVBAGLBSA-N -1 3 388.518 3.531 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1F ZINC000521355647 857897916 /nfs/dbraw/zinc/89/79/16/857897916.db2.gz ZSRAMXJXUZEBQQ-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000181681162 862971043 /nfs/dbraw/zinc/97/10/43/862971043.db2.gz RTSWGLQGFGTISX-UHFFFAOYSA-N -1 3 375.368 3.669 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(Oc2ccccc2F)CC1 ZINC000442631476 858014281 /nfs/dbraw/zinc/01/42/81/858014281.db2.gz UHFRVYWORKJKRA-UHFFFAOYSA-N -1 3 380.213 3.522 20 0 GHADHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442745420 858106587 /nfs/dbraw/zinc/10/65/87/858106587.db2.gz WFGIYUPMWAPPJZ-AWEZNQCLSA-N -1 3 397.518 3.671 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000066585743 858196179 /nfs/dbraw/zinc/19/61/79/858196179.db2.gz VEEHKYAJHUNDMF-UHFFFAOYSA-N -1 3 391.880 3.515 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2ccc(F)cc21)c1cnccc1C(F)(F)F ZINC000442908434 858216706 /nfs/dbraw/zinc/21/67/06/858216706.db2.gz NCPQGXCEKBTNJL-LBPRGKRZSA-N -1 3 392.399 3.755 20 0 GHADHM Cc1c2cc(Cl)ccc2sc1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000442973320 858280257 /nfs/dbraw/zinc/28/02/57/858280257.db2.gz NVOGKNBVHBPWIS-UHFFFAOYSA-N -1 3 375.881 3.834 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)c2)n1 ZINC000115032164 858355132 /nfs/dbraw/zinc/35/51/32/858355132.db2.gz ONTDMIRSTBNIRP-UHFFFAOYSA-N -1 3 390.418 3.801 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1 ZINC000521850672 858366548 /nfs/dbraw/zinc/36/65/48/858366548.db2.gz NDUYXEFSHLZNEP-UHFFFAOYSA-N -1 3 381.519 3.766 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000443096275 858373816 /nfs/dbraw/zinc/37/38/16/858373816.db2.gz VDFAXSMBHYFRRC-UHFFFAOYSA-N -1 3 393.461 3.614 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc2ccccc21 ZINC000443113490 858397610 /nfs/dbraw/zinc/39/76/10/858397610.db2.gz YUMIHAZRTVFKKX-CYBMUJFWSA-N -1 3 387.432 3.805 20 0 GHADHM O=C(COC(=O)C1(Sc2ccccc2)CCCC1)[N-]C(=O)c1cccs1 ZINC000733556624 863021559 /nfs/dbraw/zinc/02/15/59/863021559.db2.gz QPDGMAULJIDKOI-UHFFFAOYSA-N -1 3 389.498 3.653 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000046754109 858491595 /nfs/dbraw/zinc/49/15/95/858491595.db2.gz OVJJFDUXCZWJNG-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM O=C(NCc1cccc(COCc2ccccc2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574933998 858491926 /nfs/dbraw/zinc/49/19/26/858491926.db2.gz SZNLAOYDXDMSTP-UHFFFAOYSA-N -1 3 389.455 3.706 20 0 GHADHM COC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000665310816 858498183 /nfs/dbraw/zinc/49/81/83/858498183.db2.gz HJPDJPCPZVMWGP-MRXNPFEDSA-N -1 3 381.350 3.731 20 0 GHADHM C/C=C/c1ccc(OC=C([O-])Nc2nc(-c3ccccc3)ns2)c(OC)c1 ZINC000614688386 858600677 /nfs/dbraw/zinc/60/06/77/858600677.db2.gz INZGWZFWRGJCAP-XVNBXDOJSA-N -1 3 381.457 3.686 20 0 GHADHM CCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000499665687 858607576 /nfs/dbraw/zinc/60/75/76/858607576.db2.gz ABIQTUSGKWSICG-UHFFFAOYSA-N -1 3 390.505 3.677 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3cnn(C(C)C)c3)cc2)cc(=O)[n-]1 ZINC000522134425 858652830 /nfs/dbraw/zinc/65/28/30/858652830.db2.gz HDHGGGAMSWEFDX-ZDUSSCGKSA-N -1 3 380.452 3.818 20 0 GHADHM Cc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1F ZINC000522148886 858670342 /nfs/dbraw/zinc/67/03/42/858670342.db2.gz AHUBGPVDVPBOQM-UHFFFAOYSA-N -1 3 389.224 3.668 20 0 GHADHM CCOC(=O)c1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)N(CC)CC ZINC000487428943 858722271 /nfs/dbraw/zinc/72/22/71/858722271.db2.gz MBSAUMFCIWTSKL-UHFFFAOYSA-N -1 3 376.478 3.529 20 0 GHADHM CC(C)(CCCNCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000596021963 858763238 /nfs/dbraw/zinc/76/32/38/858763238.db2.gz REHZLEYLKDMTEX-UHFFFAOYSA-N -1 3 395.668 3.925 20 0 GHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000067899595 858771350 /nfs/dbraw/zinc/77/13/50/858771350.db2.gz MDMKCRMGETXFGA-UHFFFAOYSA-N -1 3 379.503 3.554 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000654420865 858792507 /nfs/dbraw/zinc/79/25/07/858792507.db2.gz DEFHRDXUWSITPI-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000654420865 858792510 /nfs/dbraw/zinc/79/25/10/858792510.db2.gz DEFHRDXUWSITPI-UHFFFAOYSA-N -1 3 387.365 3.946 20 0 GHADHM Cc1ncc(CNC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000543193530 858816758 /nfs/dbraw/zinc/81/67/58/858816758.db2.gz DRBQBWZPJNEJQH-UHFFFAOYSA-N -1 3 383.279 3.574 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000443492860 858827590 /nfs/dbraw/zinc/82/75/90/858827590.db2.gz RNUWCOXDEOJAHT-FZMZJTMJSA-N -1 3 399.862 3.968 20 0 GHADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1nc(-c3cc(Cl)ccc3Cl)cs1)C2 ZINC000665345575 858883195 /nfs/dbraw/zinc/88/31/95/858883195.db2.gz VNLXXCSFVWJDHL-BMLIUANNSA-N -1 3 399.299 3.650 20 0 GHADHM CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000094120775 859029115 /nfs/dbraw/zinc/02/91/15/859029115.db2.gz JFPPCCQJWJVUCE-UHFFFAOYSA-N -1 3 397.450 3.859 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cc(Cl)ccc2OCC2CCC2)c(=O)[n-]1 ZINC000466680178 859108764 /nfs/dbraw/zinc/10/87/64/859108764.db2.gz LKDCMVHQQCCSPS-UHFFFAOYSA-N -1 3 376.844 3.645 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(O)ccc1C(F)(F)F ZINC000193597656 859176688 /nfs/dbraw/zinc/17/66/88/859176688.db2.gz RDVNOWLASIWIMO-UHFFFAOYSA-N -1 3 390.155 3.809 20 0 GHADHM Cc1ncc(CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c(=O)[n-]1 ZINC000543315494 859246845 /nfs/dbraw/zinc/24/68/45/859246845.db2.gz JDJMIJIPNMYWLL-UHFFFAOYSA-N -1 3 397.862 3.582 20 0 GHADHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([O-])ccc1Cl ZINC000550571317 859298377 /nfs/dbraw/zinc/29/83/77/859298377.db2.gz RWJIJKDFMLGGKX-UHFFFAOYSA-N -1 3 383.778 3.529 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H](c1cccs1)C1CC1 ZINC000640293617 881406994 /nfs/dbraw/zinc/40/69/94/881406994.db2.gz ZSIBDZGFGOSLJG-NSHDSACASA-N -1 3 378.807 3.855 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)C1 ZINC000923472026 859342747 /nfs/dbraw/zinc/34/27/47/859342747.db2.gz SXDADJTVTATOAK-OFNKIYASSA-N -1 3 396.487 3.952 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000923468600 859344948 /nfs/dbraw/zinc/34/49/48/859344948.db2.gz YAVNRWDBZCTWMS-KZULUSFZSA-N -1 3 387.307 3.747 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000923468496 859345499 /nfs/dbraw/zinc/34/54/99/859345499.db2.gz AKUSYPQGMWQHNW-FQEVSTJZSA-N -1 3 388.489 3.674 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2nc(C)c3ccccc3n2)[n-]c1-c1ccccc1 ZINC000195061299 859346192 /nfs/dbraw/zinc/34/61/92/859346192.db2.gz ZNPWTZILBCGIGS-UHFFFAOYSA-N -1 3 378.457 3.611 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2nc(C)c3ccccc3n2)nc1-c1ccccc1 ZINC000195061299 859346203 /nfs/dbraw/zinc/34/62/03/859346203.db2.gz ZNPWTZILBCGIGS-UHFFFAOYSA-N -1 3 378.457 3.611 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC000195542955 859389586 /nfs/dbraw/zinc/38/95/86/859389586.db2.gz GLYRKWCXTDVCDM-UHFFFAOYSA-N -1 3 388.533 3.518 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCc2c1cccc2-c1ccccc1 ZINC000483548634 859441980 /nfs/dbraw/zinc/44/19/80/859441980.db2.gz XQUHKGAHLLXCOC-UHFFFAOYSA-N -1 3 387.365 3.763 20 0 GHADHM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000804231179 859485976 /nfs/dbraw/zinc/48/59/76/859485976.db2.gz JSGCFPHWLMOFTB-KRWDZBQOSA-N -1 3 394.487 3.761 20 0 GHADHM O=c1[n-]c(CN(CCCO)[C@H]2CCc3ccccc32)nc2c3ccccc3oc21 ZINC000114193548 859491913 /nfs/dbraw/zinc/49/19/13/859491913.db2.gz JXHAQDKLGNDNIE-SFHVURJKSA-N -1 3 389.455 3.541 20 0 GHADHM Cc1noc(C)c1[N-]C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 ZINC000483702746 859552456 /nfs/dbraw/zinc/55/24/56/859552456.db2.gz VKTBELKNAVHNEL-UHFFFAOYSA-N -1 3 382.420 3.685 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)NCC2(NC(=O)[O-])CCCCC2)c(Cl)c1 ZINC000740065288 859574424 /nfs/dbraw/zinc/57/44/24/859574424.db2.gz GRWSYHCCRKOOPS-AWEZNQCLSA-N -1 3 381.904 3.844 20 0 GHADHM COCCOc1ccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(Cl)c1 ZINC000474190321 859581633 /nfs/dbraw/zinc/58/16/33/859581633.db2.gz OHAJCKLVNIYYGG-UHFFFAOYSA-N -1 3 385.851 3.738 20 0 GHADHM O=C(Cc1cccc(I)c1)Nc1ccc(Cl)cc1[O-] ZINC000611101810 859605187 /nfs/dbraw/zinc/60/51/87/859605187.db2.gz PRTOSJXZGYOCCY-UHFFFAOYSA-N -1 3 387.604 3.831 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503949 859627652 /nfs/dbraw/zinc/62/76/52/859627652.db2.gz MGVQGKSYJUCSSS-QWHCGFSZSA-N -1 3 397.406 3.579 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506910 859634922 /nfs/dbraw/zinc/63/49/22/859634922.db2.gz HWQPPWMRJRDHBJ-ZACQAIPSSA-N -1 3 383.492 3.526 20 0 GHADHM O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCc2nc[n-]c(=O)c2C1 ZINC000474237701 859664238 /nfs/dbraw/zinc/66/42/38/859664238.db2.gz ZWHPHJLGXSVOFU-UHFFFAOYSA-N -1 3 389.333 3.660 20 0 GHADHM CCc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c(C)cc1OC ZINC000601978617 859669763 /nfs/dbraw/zinc/66/97/63/859669763.db2.gz WTESGHGWXBTVBC-VWLOTQADSA-N -1 3 395.546 3.554 20 0 GHADHM CCCOc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(OC(C)C)c1 ZINC000484053502 859773608 /nfs/dbraw/zinc/77/36/08/859773608.db2.gz QIPFWBJQRKRXCP-UHFFFAOYSA-N -1 3 380.448 3.722 20 0 GHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484060648 859792744 /nfs/dbraw/zinc/79/27/44/859792744.db2.gz OVMOSCGLYPNOOF-UHFFFAOYSA-N -1 3 382.420 3.873 20 0 GHADHM O=C(NCc1cccc(COCc2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436509326 859947419 /nfs/dbraw/zinc/94/74/19/859947419.db2.gz ASVWBHJIESLWSH-UHFFFAOYSA-N -1 3 391.423 3.768 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)c(F)cc3N)nc(=O)c2c1C ZINC000727191347 859987787 /nfs/dbraw/zinc/98/77/87/859987787.db2.gz XYLXXWZIJPJYQC-SSDOTTSWSA-N -1 3 379.388 3.792 20 0 GHADHM CC(C)(C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000727216591 860001005 /nfs/dbraw/zinc/00/10/05/860001005.db2.gz CIYUGSDHCGVWCR-UHFFFAOYSA-N -1 3 399.390 3.544 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c([O-])c1 ZINC000191703101 860002178 /nfs/dbraw/zinc/00/21/78/860002178.db2.gz PSMAWOKDEBIJIQ-GOSISDBHSA-N -1 3 382.460 3.515 20 0 GHADHM Cc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccccc1Cl ZINC000484447356 860004701 /nfs/dbraw/zinc/00/47/01/860004701.db2.gz ZLRGYDZDYQWYDM-UHFFFAOYSA-N -1 3 377.835 3.898 20 0 GHADHM Cc1cnc(Cl)c(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])c1 ZINC000904015978 860027057 /nfs/dbraw/zinc/02/70/57/860027057.db2.gz ABXRMQFNCCQWJK-AWEZNQCLSA-N -1 3 383.673 3.591 20 0 GHADHM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471633419 860148134 /nfs/dbraw/zinc/14/81/34/860148134.db2.gz GEJJJIWDYFZOQY-UHFFFAOYSA-N -1 3 389.455 3.887 20 0 GHADHM O=C(Nc1ccc(-n2ncc3c2nc[nH]c3=O)cc1)c1cc([O-])c2ccccc2c1 ZINC000526849997 860161435 /nfs/dbraw/zinc/16/14/35/860161435.db2.gz PBOGRAJHAQXPLL-UHFFFAOYSA-N -1 3 397.394 3.632 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000527170397 860169894 /nfs/dbraw/zinc/16/98/94/860169894.db2.gz DRZVILLOLQGNDV-GOSISDBHSA-N -1 3 398.821 3.873 20 0 GHADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1N1CCCS1(=O)=O ZINC000527467822 860181370 /nfs/dbraw/zinc/18/13/70/860181370.db2.gz NDFQUZMZPADTDJ-UHFFFAOYSA-N -1 3 396.468 3.646 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1c(Cl)cccc1Cl)c1cc(F)ccc1Cl ZINC000751438107 860206326 /nfs/dbraw/zinc/20/63/26/860206326.db2.gz QMPDVSSVWYECSJ-LBPRGKRZSA-N -1 3 398.670 3.798 20 0 GHADHM CCCc1nnc([N-]C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)s1 ZINC000018947926 860209668 /nfs/dbraw/zinc/20/96/68/860209668.db2.gz VJSUGTVBBIDZAE-UHFFFAOYSA-N -1 3 390.490 3.884 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNC[C@H](O)c3cccc4ccccc43)o2)CC1 ZINC000904252198 860267874 /nfs/dbraw/zinc/26/78/74/860267874.db2.gz VMDKQBSLGMHOII-NRFANRHFSA-N -1 3 394.471 3.557 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000728016557 860353324 /nfs/dbraw/zinc/35/33/24/860353324.db2.gz PZLNIDHILQEQMK-OAHLLOKOSA-N -1 3 392.496 3.977 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000024883954 860354826 /nfs/dbraw/zinc/35/48/26/860354826.db2.gz VUZHRAOWHWQLCB-UHFFFAOYSA-N -1 3 396.468 3.889 20 0 GHADHM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000115989551 860393664 /nfs/dbraw/zinc/39/36/64/860393664.db2.gz RWAJSFXWXYBVPC-XLIONFOSSA-N -1 3 394.515 3.869 20 0 GHADHM COc1ccc(OCc2nc(CN[C@]3(C)CCCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000901819578 860398532 /nfs/dbraw/zinc/39/85/32/860398532.db2.gz DICNDVWPTGLDBG-FXAWDEMLSA-N -1 3 390.505 3.854 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3O[C@@H](C)C[C@H]3C)cc2)cc1 ZINC000499993892 860432167 /nfs/dbraw/zinc/43/21/67/860432167.db2.gz CIUOTKYQDNJFMG-ZRGWGRIASA-N -1 3 388.489 3.548 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000751504902 860487829 /nfs/dbraw/zinc/48/78/29/860487829.db2.gz GBLBQKXUSAQISY-HJWRWDBZSA-N -1 3 382.279 3.553 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OCC(F)(F)F)nc3)c[n-]c12 ZINC000155554370 860542718 /nfs/dbraw/zinc/54/27/18/860542718.db2.gz LVQLPXUWFVPFNC-UHFFFAOYSA-N -1 3 395.312 3.564 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2ccccc21 ZINC000026847727 860601092 /nfs/dbraw/zinc/60/10/92/860601092.db2.gz LCCSTPCWIOHXCK-LBPRGKRZSA-N -1 3 385.316 3.723 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(F)c3ccncc23)c(C(=O)OCC)[n-]1 ZINC000598833220 860609743 /nfs/dbraw/zinc/60/97/43/860609743.db2.gz VJBSYHGYNRIBQM-UHFFFAOYSA-N -1 3 384.411 3.869 20 0 GHADHM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000466972967 860634573 /nfs/dbraw/zinc/63/45/73/860634573.db2.gz BATQHAQWTXSMFS-RHSMWYFYSA-N -1 3 397.541 3.889 20 0 GHADHM COc1cccc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)c1 ZINC000125630245 860728158 /nfs/dbraw/zinc/72/81/58/860728158.db2.gz WSKALQJIUDMHFG-UHFFFAOYSA-N -1 3 393.443 3.759 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1Cl ZINC000014230560 860766955 /nfs/dbraw/zinc/76/69/55/860766955.db2.gz SMGJPQFKFGSBDP-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1noc(-c2cccc(F)c2)n1 ZINC000673638283 860814523 /nfs/dbraw/zinc/81/45/23/860814523.db2.gz YVCUNCPYTASQCH-UHFFFAOYSA-N -1 3 378.157 3.596 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)n1 ZINC000599146100 860822739 /nfs/dbraw/zinc/82/27/39/860822739.db2.gz DIGXVSOHWRDERU-WMLDXEAASA-N -1 3 398.507 3.611 20 0 GHADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CCC2 ZINC000443776885 860834491 /nfs/dbraw/zinc/83/44/91/860834491.db2.gz GSGPXYRFKUBUBL-LBPRGKRZSA-N -1 3 388.320 3.663 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)c1 ZINC000667860496 860950984 /nfs/dbraw/zinc/95/09/84/860950984.db2.gz QYOKUGCIAORHAI-MRXNPFEDSA-N -1 3 388.514 3.576 20 0 GHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509091310 860968542 /nfs/dbraw/zinc/96/85/42/860968542.db2.gz XGTNXZMFYCWQHY-DEOSSOPVSA-N -1 3 394.905 3.568 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])c1 ZINC000730365305 861074796 /nfs/dbraw/zinc/07/47/96/861074796.db2.gz OVQPNKFNCQSGLL-GFCCVEGCSA-N -1 3 392.249 3.956 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000481338259 861106574 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CCCn1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cn1 ZINC000182588992 863292416 /nfs/dbraw/zinc/29/24/16/863292416.db2.gz COXYHKHQELTROZ-UHFFFAOYSA-N -1 3 398.488 3.655 20 0 GHADHM O=C(CCc1cc(F)ccc1Br)Nc1n[n-]c(-c2ccco2)n1 ZINC000182622481 863305399 /nfs/dbraw/zinc/30/53/99/863305399.db2.gz WAZMMSFLGQVPER-UHFFFAOYSA-N -1 3 379.189 3.538 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)on1 ZINC000182704118 863334162 /nfs/dbraw/zinc/33/41/62/863334162.db2.gz DSTWMOCRRKWDIB-UHFFFAOYSA-N -1 3 382.530 3.526 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CCC(F)(F)F ZINC000494401672 881675771 /nfs/dbraw/zinc/67/57/71/881675771.db2.gz BMRVTTMJWSSLRD-UHFFFAOYSA-N -1 3 399.287 3.608 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000606537434 863693795 /nfs/dbraw/zinc/69/37/95/863693795.db2.gz UHUYZBHRMXGKAI-NSHDSACASA-N -1 3 397.233 3.507 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CCC(F)(F)F ZINC000494390466 881693736 /nfs/dbraw/zinc/69/37/36/881693736.db2.gz 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386.433 3.648 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000192784241 864499025 /nfs/dbraw/zinc/49/90/25/864499025.db2.gz SXOWYEZVHGKVLW-ZDUSSCGKSA-N -1 3 392.297 3.858 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000192790936 864500629 /nfs/dbraw/zinc/50/06/29/864500629.db2.gz VFWZLYHTGPHHEM-ABAIWWIYSA-N -1 3 396.260 3.527 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc2ncccc2c1 ZINC000607614367 864557857 /nfs/dbraw/zinc/55/78/57/864557857.db2.gz BRTWTNUBROLLSC-IBGZPJMESA-N -1 3 394.456 3.763 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1NC(C)=O ZINC000607616708 864562566 /nfs/dbraw/zinc/56/25/66/864562566.db2.gz MCMKKQKBIXKUEL-UHFFFAOYSA-N -1 3 392.477 3.550 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1[C@@H](C)CCC[C@@H]1C ZINC000735083593 864611369 /nfs/dbraw/zinc/61/13/69/864611369.db2.gz VOIPBBPKUSCCLS-UWVGGRQHSA-N -1 3 394.306 3.700 20 0 GHADHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cnc(Cl)c(Cl)c1 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20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)C2=Cc3ccccc3CC2)CCCC1 ZINC000735503637 864817146 /nfs/dbraw/zinc/81/71/46/864817146.db2.gz OLZSEBRBWZXRAG-UHFFFAOYSA-N -1 3 377.506 3.548 20 0 GHADHM COc1cc(CNCc2ncccc2[O-])cc(OC)c1OCc1ccccc1 ZINC000475344551 864820014 /nfs/dbraw/zinc/82/00/14/864820014.db2.gz WJCJFXIFDVODBC-UHFFFAOYSA-N -1 3 380.444 3.673 20 0 GHADHM O=C(NN=c1cccn[n-]1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000184787344 864941280 /nfs/dbraw/zinc/94/12/80/864941280.db2.gz YKCLPNTZQNMTSS-QGZVFWFLSA-N -1 3 399.248 3.503 20 0 GHADHM Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000622406303 864977446 /nfs/dbraw/zinc/97/74/46/864977446.db2.gz PKNHWUGIZWJKFY-ZDUSSCGKSA-N -1 3 395.303 3.795 20 0 GHADHM O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccc([O-])c(Br)c1 ZINC000856879759 881823331 /nfs/dbraw/zinc/82/33/31/881823331.db2.gz YKFQOSUPLUOXCI-VIFPVBQESA-N -1 3 382.085 3.538 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735923006 865052114 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Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000622739125 865193371 /nfs/dbraw/zinc/19/33/71/865193371.db2.gz VHEYEUYIVMLIML-NSHDSACASA-N -1 3 381.398 3.740 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(Cc2ccccc2)[C@@H](C)O)sc1Cl ZINC000480768288 865228060 /nfs/dbraw/zinc/22/80/60/865228060.db2.gz NMJMKFMFLGOQHX-DYVFJYSZSA-N -1 3 387.954 3.618 20 0 GHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000608343710 865240946 /nfs/dbraw/zinc/24/09/46/865240946.db2.gz MYYFEPFUPFEXKN-UHFFFAOYSA-N -1 3 375.368 3.923 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000736626393 865249231 /nfs/dbraw/zinc/24/92/31/865249231.db2.gz HIGVFXFXYHWMNZ-HNNXBMFYSA-N -1 3 378.432 3.681 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000736626393 865249246 /nfs/dbraw/zinc/24/92/46/865249246.db2.gz HIGVFXFXYHWMNZ-HNNXBMFYSA-N -1 3 378.432 3.681 20 0 GHADHM CCCOc1ccc(CCC(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1 ZINC000608357904 865255838 /nfs/dbraw/zinc/25/58/38/865255838.db2.gz ACPDXQIPOWTGMV-UHFFFAOYSA-N -1 3 379.460 3.867 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(-n4cccn4)n3)nc(=O)c2c1C ZINC000736927865 865327313 /nfs/dbraw/zinc/32/73/13/865327313.db2.gz JSXVDANWMWLGQA-NSHDSACASA-N -1 3 395.444 3.512 20 0 GHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CC2)c(Cl)cc1Cl ZINC000063770070 865329107 /nfs/dbraw/zinc/32/91/07/865329107.db2.gz FWQKVZWFJCERHM-SNVBAGLBSA-N -1 3 393.336 3.695 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(-c2ccccc2)no1 ZINC000121010100 881863162 /nfs/dbraw/zinc/86/31/62/881863162.db2.gz ONHVLUQVWFXNHH-JTQLQIEISA-N -1 3 383.882 3.534 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000480832047 865373537 /nfs/dbraw/zinc/37/35/37/865373537.db2.gz JWTWTEKYTVKLSN-CZUORRHYSA-N -1 3 389.293 3.720 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3nc4c(s3)CCCC4)nc2)n1 ZINC000301471631 865380190 /nfs/dbraw/zinc/38/01/90/865380190.db2.gz KAFITNZDKWTYKI-UHFFFAOYSA-N -1 3 381.505 3.778 20 0 GHADHM CC(C)c1nsc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000301505929 865394864 /nfs/dbraw/zinc/39/48/64/865394864.db2.gz ITYNESOIOGEQDU-UHFFFAOYSA-N -1 3 380.901 3.876 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@](C)(c4ccccc4)C3)nc2)n1 ZINC000301615572 865458164 /nfs/dbraw/zinc/45/81/64/865458164.db2.gz BMHLHFNJWNEGJX-QFIPXVFZSA-N -1 3 376.460 3.559 20 0 GHADHM Cc1cc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)no1 ZINC000172111687 865492748 /nfs/dbraw/zinc/49/27/48/865492748.db2.gz VWZWHXKOCTYWLA-UHFFFAOYSA-N -1 3 399.472 3.582 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc4c(cc3OC)C[C@@H](C)O4)nc2)n1 ZINC000301758442 865525960 /nfs/dbraw/zinc/52/59/60/865525960.db2.gz FDRMZGYUHBFHBH-CYBMUJFWSA-N -1 3 392.459 3.751 20 0 GHADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccoc1Br ZINC000193560961 881890531 /nfs/dbraw/zinc/89/05/31/881890531.db2.gz IFHNLXXRIOMTAA-UHFFFAOYSA-N -1 3 382.214 3.876 20 0 GHADHM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c(N2CCCC2)n1 ZINC000302050482 865686776 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385.467 3.978 20 0 GHADHM COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[O-])o2)cc1 ZINC000006406228 866033858 /nfs/dbraw/zinc/03/38/58/866033858.db2.gz CNUNGVCGEQDMHD-UHFFFAOYSA-N -1 3 391.836 3.835 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000175813137 866036716 /nfs/dbraw/zinc/03/67/16/866036716.db2.gz LORRBWBHBPHWRG-CYBMUJFWSA-N -1 3 376.453 3.920 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000740928184 866112333 /nfs/dbraw/zinc/11/23/33/866112333.db2.gz HHJUQSDDAKZBQU-WMLDXEAASA-N -1 3 376.497 3.891 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000029048052 866118922 /nfs/dbraw/zinc/11/89/22/866118922.db2.gz IHOGSEVLPVBYLS-UHFFFAOYSA-N -1 3 377.462 3.684 20 0 GHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000543691722 866174276 /nfs/dbraw/zinc/17/42/76/866174276.db2.gz HWVPRXIEHWCIGG-UHFFFAOYSA-N -1 3 388.225 3.660 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)c[n-]c12 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383.485 3.750 20 0 GHADHM CCO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000444993532 867589869 /nfs/dbraw/zinc/58/98/69/867589869.db2.gz ZACRGWYHYFGEEW-GFCCVEGCSA-N -1 3 390.324 3.567 20 0 GHADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000479402328 867673411 /nfs/dbraw/zinc/67/34/11/867673411.db2.gz NQYUALSSYDOLSN-AUUYWEPGSA-N -1 3 390.480 3.887 20 0 GHADHM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2C(C)(C)C)CC1 ZINC000743048145 867784948 /nfs/dbraw/zinc/78/49/48/867784948.db2.gz XNNQIELNAWIINZ-UHFFFAOYSA-N -1 3 387.549 3.537 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000857221695 882121992 /nfs/dbraw/zinc/12/19/92/882121992.db2.gz MBSYTGGBNAJIKO-INIZCTEOSA-N -1 3 392.496 3.670 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)n[n-]2)o1 ZINC000479476382 867836923 /nfs/dbraw/zinc/83/69/23/867836923.db2.gz PPUNVNZTSQYSBH-QWHCGFSZSA-N -1 3 387.237 3.878 20 0 GHADHM O=S(=O)([N-][C@H]1CCCN(c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000523734424 867866462 /nfs/dbraw/zinc/86/64/62/867866462.db2.gz SLKDZVVBXWBRIC-AWEZNQCLSA-N -1 3 385.316 3.941 20 0 GHADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccn2)cc1 ZINC000523735435 867870578 /nfs/dbraw/zinc/87/05/78/867870578.db2.gz LPLVITZYVGVIKZ-LJQANCHMSA-N -1 3 388.439 3.931 20 0 GHADHM CCc1csc(-n2cc(C(=O)Nc3cc(Br)ccc3[O-])cn2)n1 ZINC000534982888 867873404 /nfs/dbraw/zinc/87/34/04/867873404.db2.gz OQYJRAXFYFUINA-UHFFFAOYSA-N -1 3 393.266 3.612 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCC[C@@H](C)C2)cc1Cl ZINC000523737422 867873768 /nfs/dbraw/zinc/87/37/68/867873768.db2.gz ZDAGWTLLXSKTSE-DGCLKSJQSA-N -1 3 390.908 3.932 20 0 GHADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)c1cc(C)cc(C)c1 ZINC000059577008 882131625 /nfs/dbraw/zinc/13/16/25/882131625.db2.gz APRRPVXMNJAYKF-UHFFFAOYSA-N -1 3 385.489 3.723 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000857258981 882151230 /nfs/dbraw/zinc/15/12/30/882151230.db2.gz LLNRXFGFAIKBDP-HNNXBMFYSA-N -1 3 390.480 3.961 20 0 GHADHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c([O-])c1 ZINC000133298588 882151582 /nfs/dbraw/zinc/15/15/82/882151582.db2.gz DCMNXGYWXKUIQY-KRWDZBQOSA-N -1 3 376.250 3.677 20 0 GHADHM COc1ccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000445277557 868191449 /nfs/dbraw/zinc/19/14/49/868191449.db2.gz DVAPWXCOODZXKE-UHFFFAOYSA-N -1 3 375.384 3.785 20 0 GHADHM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000535135780 868234768 /nfs/dbraw/zinc/23/47/68/868234768.db2.gz ZPHUESHPYUJOBW-UHFFFAOYSA-N -1 3 397.434 3.710 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1nnc(Cc2ccccc2)[n-]1 ZINC000479663999 868329466 /nfs/dbraw/zinc/32/94/66/868329466.db2.gz GZNSFDWEEYUOGD-UHFFFAOYSA-N -1 3 382.272 3.676 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2c1cc(F)cc2F ZINC000479683328 868332229 /nfs/dbraw/zinc/33/22/29/868332229.db2.gz FYTIJCDSVQEYOK-UHFFFAOYSA-N -1 3 383.192 3.705 20 0 GHADHM C[C@@H](Cc1cncc2ccccc21)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431023 882180681 /nfs/dbraw/zinc/18/06/81/882180681.db2.gz DFNDKUJAVUIQRP-NSHDSACASA-N -1 3 396.800 3.886 20 0 GHADHM Cn1cc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)c(C(F)(F)F)n1 ZINC000743713934 868379975 /nfs/dbraw/zinc/37/99/75/868379975.db2.gz NRARFLVZQQYSJG-UHFFFAOYSA-N -1 3 387.774 3.863 20 0 GHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1n[nH]c(-c2ccccn2)n1 ZINC000479735427 868417186 /nfs/dbraw/zinc/41/71/86/868417186.db2.gz OHYURAIXRSBCFS-UHFFFAOYSA-N -1 3 394.822 3.990 20 0 GHADHM COc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000156654639 868427850 /nfs/dbraw/zinc/42/78/50/868427850.db2.gz GSBOINCRPXOOKU-JTQLQIEISA-N -1 3 397.244 3.863 20 0 GHADHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000156726678 868447884 /nfs/dbraw/zinc/44/78/84/868447884.db2.gz DXKQTLZXUWNOHA-GXTWGEPZSA-N -1 3 388.316 3.826 20 0 GHADHM Cc1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)nn1-c1ccccc1C(C)C ZINC000157126830 868566261 /nfs/dbraw/zinc/56/62/61/868566261.db2.gz UAVNODRUUBSXED-UHFFFAOYSA-N -1 3 395.854 3.648 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3c(Cl)n(C)nc3C(C)C)c2)n1 ZINC000744216732 868672971 /nfs/dbraw/zinc/67/29/71/868672971.db2.gz DOQYWFUMCWDIOY-UHFFFAOYSA-N -1 3 386.839 3.887 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(Cn4cccn4)cc3)c2)n1 ZINC000744218462 868673918 /nfs/dbraw/zinc/67/39/18/868673918.db2.gz AKWJKDWLQDVCFI-UHFFFAOYSA-N -1 3 386.411 3.622 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744217421 868674116 /nfs/dbraw/zinc/67/41/16/868674116.db2.gz KFFWPLISOYHKJG-UHFFFAOYSA-N -1 3 394.475 3.775 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(F)(F)F)cn3)c2)n1 ZINC000744217536 868674197 /nfs/dbraw/zinc/67/41/97/868674197.db2.gz BGUGBAXLZGSERK-UHFFFAOYSA-N -1 3 375.306 3.791 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)Oc3ccc(F)c(F)c3)c2)n1 ZINC000744218959 868674440 /nfs/dbraw/zinc/67/44/40/868674440.db2.gz IRGRLVAIEGRYNX-LBPRGKRZSA-N -1 3 386.354 3.809 20 0 GHADHM CCN(CC)[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648432808 882220066 /nfs/dbraw/zinc/22/00/66/882220066.db2.gz IRUIZIRSOOOSSC-AWEZNQCLSA-N -1 3 388.821 3.542 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000535415626 868744258 /nfs/dbraw/zinc/74/42/58/868744258.db2.gz IYEPJBGASBYXJH-UHFFFAOYSA-N -1 3 398.373 3.618 20 0 GHADHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000479981970 868856146 /nfs/dbraw/zinc/85/61/46/868856146.db2.gz OHOVPVCKMOFTJK-NWDGAFQWSA-N -1 3 396.372 3.773 20 0 GHADHM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1c(Cl)cccc1Cl ZINC000535564928 869004740 /nfs/dbraw/zinc/00/47/40/869004740.db2.gz NDGGKFXGVAUHLI-UHFFFAOYSA-N -1 3 391.345 3.850 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(-c2nc3ccccc3o2)cc1 ZINC000445872074 869101422 /nfs/dbraw/zinc/10/14/22/869101422.db2.gz QRMJYURBRDHSTQ-ZDUSSCGKSA-N -1 3 375.306 3.872 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)n1 ZINC000428785471 869192251 /nfs/dbraw/zinc/19/22/51/869192251.db2.gz ZXMHVKFASWHOQG-MLGOLLRUSA-N -1 3 381.398 3.725 20 0 GHADHM CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)s1 ZINC000524590411 869276928 /nfs/dbraw/zinc/27/69/28/869276928.db2.gz FVOVTXAYTOPABY-UHFFFAOYSA-N -1 3 383.454 3.570 20 0 GHADHM O=c1cc(N2CC[C@H](Nc3oc(-c4ccccc4)nc3C(F)(F)F)C2)nc[n-]1 ZINC000897345300 869293747 /nfs/dbraw/zinc/29/37/47/869293747.db2.gz LBNDTGCXVKSEGH-LBPRGKRZSA-N -1 3 391.353 3.547 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCO ZINC000543911616 869376792 /nfs/dbraw/zinc/37/67/92/869376792.db2.gz UMONARGYYHWDQJ-UHFFFAOYSA-N -1 3 383.469 3.834 20 0 GHADHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H]2CCO[C@@H]21 ZINC000524637446 869379070 /nfs/dbraw/zinc/37/90/70/869379070.db2.gz FFSPTIOKJLLCLJ-YUELXQCFSA-N -1 3 398.937 3.555 20 0 GHADHM CCC(CC)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462451073 869461915 /nfs/dbraw/zinc/46/19/15/869461915.db2.gz GZNCCEDJXUZUOS-UHFFFAOYSA-N -1 3 399.148 3.987 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)[N-]C(=O)c1cccs1 ZINC000745351905 869492911 /nfs/dbraw/zinc/49/29/11/869492911.db2.gz UHZXMDPCUUVUBL-QWHCGFSZSA-N -1 3 398.267 3.658 20 0 GHADHM CC(C)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000524740521 869510535 /nfs/dbraw/zinc/51/05/35/869510535.db2.gz LIMCWLHOBNAHJV-SFHVURJKSA-N -1 3 394.393 3.654 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2c(F)cccc2F)s1 ZINC000462522117 869613449 /nfs/dbraw/zinc/61/34/49/869613449.db2.gz COIWCWCRYDVYCK-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000446282064 869634650 /nfs/dbraw/zinc/63/46/50/869634650.db2.gz FEOZLRVKBHCGRJ-PELKAZGASA-N -1 3 383.208 3.931 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1[O-] ZINC000745650795 869720064 /nfs/dbraw/zinc/72/00/64/869720064.db2.gz WPGSFLZSWDGRIO-UHFFFAOYSA-N -1 3 385.294 3.826 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1[O-] ZINC000745652998 869721387 /nfs/dbraw/zinc/72/13/87/869721387.db2.gz PKLHDSCCFHWOMB-UHFFFAOYSA-N -1 3 379.368 3.763 20 0 GHADHM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000115312847 882331957 /nfs/dbraw/zinc/33/19/57/882331957.db2.gz LPBPADRLGOJBQU-VWLOTQADSA-N -1 3 393.530 3.687 20 0 GHADHM O=S(=O)(Cc1ccon1)[N-][C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000462703794 869929961 /nfs/dbraw/zinc/92/99/61/869929961.db2.gz KRKQRICVGXYISR-KRWDZBQOSA-N -1 3 398.818 3.815 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccc(F)cc1 ZINC000462706915 869934426 /nfs/dbraw/zinc/93/44/26/869934426.db2.gz DIEFJGVLFTYHMK-JTQLQIEISA-N -1 3 395.349 3.729 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000122004444 882374883 /nfs/dbraw/zinc/37/48/83/882374883.db2.gz WJLJQCXRTHFRHQ-HNNXBMFYSA-N -1 3 379.229 3.781 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC000525220445 870190011 /nfs/dbraw/zinc/19/00/11/870190011.db2.gz QPLVNASNKSTGDN-QLFBSQMISA-N -1 3 395.525 3.547 20 0 GHADHM CCOC(=O)c1cnoc1[N-]C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC001192288328 870267347 /nfs/dbraw/zinc/26/73/47/870267347.db2.gz CLDHWIKATBFCCJ-UHFFFAOYSA-N -1 3 375.715 3.750 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NC2CCN(c3ccc(Cl)nn3)CC2)c([O-])c1 ZINC001192314201 870279285 /nfs/dbraw/zinc/27/92/85/870279285.db2.gz JPSYPJZRQDMJCC-UHFFFAOYSA-N -1 3 388.899 3.532 20 0 GHADHM CC(C)(C)c1ccc(C(=O)n2ccc(Oc3ccc(N)cc3F)nc2=N)c([O-])c1 ZINC001192322581 870287370 /nfs/dbraw/zinc/28/73/70/870287370.db2.gz FGYPVCXCXQXKBH-UHFFFAOYSA-N -1 3 396.422 3.568 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2nc3cc(C(F)(F)F)ccc3[nH]2)c(F)c1 ZINC000446753428 870300683 /nfs/dbraw/zinc/30/06/83/870300683.db2.gz LUUPQCRESNTQQQ-UHFFFAOYSA-N -1 3 387.358 3.971 20 0 GHADHM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000793735411 882395743 /nfs/dbraw/zinc/39/57/43/882395743.db2.gz MLLPCECIWXTRCI-ZYHUDNBSSA-N -1 3 391.249 3.513 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2Br)cnc1Cl ZINC001192529971 870491656 /nfs/dbraw/zinc/49/16/56/870491656.db2.gz WPALPUXHBVAPAM-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c1C ZINC000121691648 870604626 /nfs/dbraw/zinc/60/46/26/870604626.db2.gz ROSNIODQGASTMV-UHFFFAOYSA-N -1 3 386.517 3.843 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@]1(C)CC[C@H](C)C1(C)C ZINC000617662715 870677840 /nfs/dbraw/zinc/67/78/40/870677840.db2.gz RRWCUBWFJBXOPP-WNSKOXEYSA-N -1 3 396.535 3.652 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2Br)c1 ZINC001192820935 870695961 /nfs/dbraw/zinc/69/59/61/870695961.db2.gz GTPGFGGUBGNKMP-UHFFFAOYSA-N -1 3 388.258 3.960 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(Oc3ncccc3F)CC2)c([O-])c1 ZINC000446925751 870718663 /nfs/dbraw/zinc/71/86/63/870718663.db2.gz RROBSYJJUGHKLJ-UHFFFAOYSA-N -1 3 388.439 3.789 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000540212456 870747143 /nfs/dbraw/zinc/74/71/43/870747143.db2.gz JNKPQDNJCHODHA-UHFFFAOYSA-N -1 3 389.477 3.559 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)c(-c2ccccc2)s1 ZINC001192923246 870789163 /nfs/dbraw/zinc/78/91/63/870789163.db2.gz SZUIMAGLYLDHKW-UHFFFAOYSA-N -1 3 394.562 3.728 20 0 GHADHM O=S(=O)([N-][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)c1cnccc1Cl ZINC001192925025 870789251 /nfs/dbraw/zinc/78/92/51/870789251.db2.gz OYVWSZKQMSCCTK-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM COCc1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000446981888 870806143 /nfs/dbraw/zinc/80/61/43/870806143.db2.gz UVKJBLHLHQLRSO-UHFFFAOYSA-N -1 3 378.457 3.960 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1 ZINC000122161638 882454323 /nfs/dbraw/zinc/45/43/23/882454323.db2.gz XHDXHKMUPASFMI-UHFFFAOYSA-N -1 3 389.455 3.631 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCc3c(Br)ccc(Cl)c3C2)n1 ZINC001193055567 870878346 /nfs/dbraw/zinc/87/83/46/870878346.db2.gz YCFJUHMMVJCHRB-UHFFFAOYSA-N -1 3 382.689 3.719 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001193150222 870920307 /nfs/dbraw/zinc/92/03/07/870920307.db2.gz MEZCYXWMHSJFOT-CQSZACIVSA-N -1 3 375.266 3.645 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000538971031 871000294 /nfs/dbraw/zinc/00/02/94/871000294.db2.gz HXGJNPZMSZKWMR-DIFFPNOSSA-N -1 3 387.860 3.542 20 0 GHADHM CSc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2Cl)c(F)c1 ZINC001193360887 871050343 /nfs/dbraw/zinc/05/03/43/871050343.db2.gz NQWVYJRQXVULJR-UHFFFAOYSA-N -1 3 388.873 3.960 20 0 GHADHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000181490761 871091894 /nfs/dbraw/zinc/09/18/94/871091894.db2.gz QYOZMZNUDZONPX-GFCCVEGCSA-N -1 3 376.819 3.700 20 0 GHADHM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)CC)c(F)cc1C ZINC001193548272 871135080 /nfs/dbraw/zinc/13/50/80/871135080.db2.gz SYJQBJFFJBRSLN-UHFFFAOYSA-N -1 3 395.443 3.661 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Oc1ccncc1 ZINC000447271754 871257517 /nfs/dbraw/zinc/25/75/17/871257517.db2.gz BCKBESYBOXVUHO-UHFFFAOYSA-N -1 3 382.441 3.918 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2nc3ccccc3n2C)c2ccccc2)o1 ZINC000539108790 871282779 /nfs/dbraw/zinc/28/27/79/871282779.db2.gz KSUQGQJJPIRWJA-IBGZPJMESA-N -1 3 381.457 3.543 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447265164 871283214 /nfs/dbraw/zinc/28/32/14/871283214.db2.gz FRACDHXSGNPIDQ-UHFFFAOYSA-N -1 3 389.473 3.697 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000857720091 882495956 /nfs/dbraw/zinc/49/59/56/882495956.db2.gz NRIDMEFKQCQRRW-CYBMUJFWSA-N -1 3 388.468 3.634 20 0 GHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C)c2Cl)CC1 ZINC000540484676 871374606 /nfs/dbraw/zinc/37/46/06/871374606.db2.gz BOZYQGDZVWONGF-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM O=C(Cc1nc(NC(=O)c2cncc(-c3ccsc3)c2)n[n-]1)c1ccccc1 ZINC001193984912 871417712 /nfs/dbraw/zinc/41/77/12/871417712.db2.gz QTDZEJMIEHLWBP-UHFFFAOYSA-N -1 3 389.440 3.606 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCc1ccc2ncc(Br)cc2c1 ZINC001193945645 871422735 /nfs/dbraw/zinc/42/27/35/871422735.db2.gz HCHUPSGAZUVOLW-UHFFFAOYSA-N -1 3 387.233 3.647 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCc1nc2ccccc2n1Cc1ccccc1 ZINC001193946673 871424256 /nfs/dbraw/zinc/42/42/56/871424256.db2.gz WUIVKGQXDBFHQA-UHFFFAOYSA-N -1 3 387.439 3.734 20 0 GHADHM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118462 871500519 /nfs/dbraw/zinc/50/05/19/871500519.db2.gz MKYRJLNFVVXNRJ-CYBMUJFWSA-N -1 3 389.323 3.595 20 0 GHADHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000525836601 871524352 /nfs/dbraw/zinc/52/43/52/871524352.db2.gz IOKNZVMFSQMLGG-UHFFFAOYSA-N -1 3 383.564 3.786 20 0 GHADHM O=S(=O)([N-]c1c(CO)ccc(F)c1F)c1ccc(-c2cccs2)cc1 ZINC001194169475 871524565 /nfs/dbraw/zinc/52/45/65/871524565.db2.gz OWOSXYDRASPCGU-UHFFFAOYSA-N -1 3 381.425 3.986 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc(F)cc2n[n-]nc21 ZINC000428482246 871552552 /nfs/dbraw/zinc/55/25/52/871552552.db2.gz LDWCKGHBHFSMRF-MJHDQNEOSA-N -1 3 389.228 3.536 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(OCC2CC2)c(Cl)c1 ZINC001194199706 871553803 /nfs/dbraw/zinc/55/38/03/871553803.db2.gz NPKJGKQMGCQJJK-UHFFFAOYSA-N -1 3 385.807 3.736 20 0 GHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1F ZINC001194371551 871642848 /nfs/dbraw/zinc/64/28/48/871642848.db2.gz GZJASRCHNPSYMC-UHFFFAOYSA-N -1 3 384.791 3.981 20 0 GHADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2c1 ZINC000525967203 871815086 /nfs/dbraw/zinc/81/50/86/871815086.db2.gz VRZDQLCOIAKUHZ-IBGZPJMESA-N -1 3 376.460 3.978 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Br)cnc1Cl ZINC001194604671 871830122 /nfs/dbraw/zinc/83/01/22/871830122.db2.gz GEVIGNIUTXPVFW-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194634065 871839305 /nfs/dbraw/zinc/83/93/05/871839305.db2.gz MLORKXANLOOHNR-UHFFFAOYSA-N -1 3 388.533 3.751 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(F)cccc1OC[C@@H]1CCCO1 ZINC001194643372 871848849 /nfs/dbraw/zinc/84/88/49/871848849.db2.gz UUQFMKRFOBQCPI-HNNXBMFYSA-N -1 3 379.453 3.801 20 0 GHADHM COC(=O)c1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000253614170 871898776 /nfs/dbraw/zinc/89/87/76/871898776.db2.gz HKXLCFBAJTUHIO-UHFFFAOYSA-N -1 3 392.440 3.600 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766852446 871927404 /nfs/dbraw/zinc/92/74/04/871927404.db2.gz ZHSWSEICACRVPJ-UWVGGRQHSA-N -1 3 395.834 3.563 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)cc1C ZINC000526038896 871946706 /nfs/dbraw/zinc/94/67/06/871946706.db2.gz LKUOCCBMCJZFGB-UHFFFAOYSA-N -1 3 391.493 3.596 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)ccc1Cl ZINC001194864257 871994765 /nfs/dbraw/zinc/99/47/65/871994765.db2.gz JIRQDQGHKLYULY-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Br)c2C)c(C)c1C ZINC001194842940 872010073 /nfs/dbraw/zinc/01/00/73/872010073.db2.gz DYQMDDTZFUAGMY-UHFFFAOYSA-N -1 3 399.310 3.887 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC[C@H]2C[C@H]21)c1cc(Cl)ccc1Br ZINC001194917448 872031709 /nfs/dbraw/zinc/03/17/09/872031709.db2.gz POLJRHLKUWZKHT-NHCYSSNCSA-N -1 3 378.719 3.817 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4cccs4)[nH]n3)c2)n1 ZINC000122504215 882589616 /nfs/dbraw/zinc/58/96/16/882589616.db2.gz HFIKJOOWVYKNGP-UHFFFAOYSA-N -1 3 391.456 3.703 20 0 GHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1C[C@H](O)Cc2ccccc21 ZINC000447724547 872215829 /nfs/dbraw/zinc/21/58/29/872215829.db2.gz WSFHAZVOCJBENZ-GOSISDBHSA-N -1 3 375.424 3.535 20 0 GHADHM Cc1ccc2c(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)coc2c1C ZINC000767164783 872293833 /nfs/dbraw/zinc/29/38/33/872293833.db2.gz ZOWIJXJUNWQEDK-ZDUSSCGKSA-N -1 3 376.453 3.553 20 0 GHADHM CC(C)c1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1-c1ccccc1Cl ZINC000526959677 872359438 /nfs/dbraw/zinc/35/94/38/872359438.db2.gz RQUGZFZGGTVXJP-QGZVFWFLSA-N -1 3 399.882 3.898 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000552274276 872370579 /nfs/dbraw/zinc/37/05/79/872370579.db2.gz JRCVQEDIJOHQFF-JGVFFNPUSA-N -1 3 375.053 3.643 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1cc2c(s1)CCCC2 ZINC001195555111 872460122 /nfs/dbraw/zinc/46/01/22/872460122.db2.gz NKICAIAJFLTATP-UHFFFAOYSA-N -1 3 383.922 3.583 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000527025842 872499647 /nfs/dbraw/zinc/49/96/47/872499647.db2.gz WNPRVSBYOLJDNE-RDPSFJRHSA-N -1 3 395.499 3.588 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)cnc1Cl ZINC000767437959 872521496 /nfs/dbraw/zinc/52/14/96/872521496.db2.gz KWNCSHZQVHQONQ-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCSCC(F)(F)F)cc2)cc(=O)[n-]1 ZINC000552367482 872528963 /nfs/dbraw/zinc/52/89/63/872528963.db2.gz WBKSERFABPEGLO-UHFFFAOYSA-N -1 3 386.399 3.575 20 0 GHADHM CCCN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H](C)C(=O)Nc1ccccc1 ZINC000182571526 872563800 /nfs/dbraw/zinc/56/38/00/872563800.db2.gz AGOMHVCQGVOUCI-HNNXBMFYSA-N -1 3 380.444 3.738 20 0 GHADHM CC[C@@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H](C)CC ZINC000767516725 872587546 /nfs/dbraw/zinc/58/75/46/872587546.db2.gz WZWINSAYVKBQKP-OKILXGFUSA-N -1 3 386.533 3.942 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)c(F)cc1F ZINC000175806249 882634649 /nfs/dbraw/zinc/63/46/49/882634649.db2.gz GZKWLYYDTKXCOT-NSHDSACASA-N -1 3 385.436 3.743 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)[n-]1 ZINC000619446609 872635489 /nfs/dbraw/zinc/63/54/89/872635489.db2.gz PZXUJOFCXTWZLZ-UHFFFAOYSA-N -1 3 398.488 3.930 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c[n-]1 ZINC000619446609 872635497 /nfs/dbraw/zinc/63/54/97/872635497.db2.gz PZXUJOFCXTWZLZ-UHFFFAOYSA-N -1 3 398.488 3.930 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCOc2ccccc2-c2ccccc2)[n-]1 ZINC000619448022 872636708 /nfs/dbraw/zinc/63/67/08/872636708.db2.gz ZFNJCCCBYHQRPZ-UHFFFAOYSA-N -1 3 379.416 3.661 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCOc2ccccc2-c2ccccc2)c[n-]1 ZINC000619448022 872636713 /nfs/dbraw/zinc/63/67/13/872636713.db2.gz ZFNJCCCBYHQRPZ-UHFFFAOYSA-N -1 3 379.416 3.661 20 0 GHADHM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000552423445 872658334 /nfs/dbraw/zinc/65/83/34/872658334.db2.gz HYNREZUZZAUYCG-GOSISDBHSA-N -1 3 398.260 3.567 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001195786395 872660744 /nfs/dbraw/zinc/66/07/44/872660744.db2.gz BSDQLOFLEWXGIF-MRXNPFEDSA-N -1 3 382.279 3.681 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195806815 872676818 /nfs/dbraw/zinc/67/68/18/872676818.db2.gz PIIAHIQJDMQLAK-UHFFFAOYSA-N -1 3 378.450 3.848 20 0 GHADHM O=C(N=c1nc2[nH][n-]cc-2c(Cl)n1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195868027 872725446 /nfs/dbraw/zinc/72/54/46/872725446.db2.gz IZPVUXJZRAEBOB-UHFFFAOYSA-N -1 3 388.818 3.780 20 0 GHADHM COc1cccc2c1CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C2 ZINC001195944701 872743517 /nfs/dbraw/zinc/74/35/17/872743517.db2.gz NSRKDNWOKJWOSP-CYBMUJFWSA-N -1 3 385.938 3.944 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ncc[nH]2)c1)c1csc(-c2ccccc2)n1 ZINC000463850396 872754658 /nfs/dbraw/zinc/75/46/58/872754658.db2.gz WYVIHBXHIFCJGM-UHFFFAOYSA-N -1 3 396.497 3.679 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C3CC3)c2)cc1 ZINC000619652975 872847753 /nfs/dbraw/zinc/84/77/53/872847753.db2.gz FGWMWZPOUWYODT-INIZCTEOSA-N -1 3 386.517 3.880 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c(C)c1 ZINC000527246953 872865445 /nfs/dbraw/zinc/86/54/45/872865445.db2.gz DWBDYQPTBMDBIX-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N(CC1CC1)C1CCC1 ZINC000527280627 872892058 /nfs/dbraw/zinc/89/20/58/872892058.db2.gz IHFBDRXAXFXEGI-UHFFFAOYSA-N -1 3 375.266 3.695 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056132217 872952426 /nfs/dbraw/zinc/95/24/26/872952426.db2.gz SJBTXANXYGLFOX-HXUWFJFHSA-N -1 3 386.455 3.782 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1Cl)c1ccc(Cl)cn1 ZINC001196252658 872971945 /nfs/dbraw/zinc/97/19/45/872971945.db2.gz DGTGJXDCIKAQDN-UHFFFAOYSA-N -1 3 377.318 3.600 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccnc(F)c2)c(F)c1)c1ccc(Cl)cn1 ZINC001196252622 872972097 /nfs/dbraw/zinc/97/20/97/872972097.db2.gz CFZOBUNEMZKIJE-UHFFFAOYSA-N -1 3 395.818 3.554 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C)c1Cl ZINC000448159244 872977551 /nfs/dbraw/zinc/97/75/51/872977551.db2.gz IYGACBFRIXSOBJ-UHFFFAOYSA-N -1 3 395.352 3.521 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1ccc(Cl)cn1 ZINC001196265930 872979084 /nfs/dbraw/zinc/97/90/84/872979084.db2.gz FLZPFPREBPGQPX-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@H](C)c3ccsc3)nc(=O)c2c1C ZINC000619782830 872996456 /nfs/dbraw/zinc/99/64/56/872996456.db2.gz LOONGFXVKPZTAK-GHMZBOCLSA-N -1 3 391.518 3.943 20 0 GHADHM CCS(=O)(=O)c1ccc(OC)c([N-]C(=O)c2snc(Cl)c2Cl)c1 ZINC001196341965 873042960 /nfs/dbraw/zinc/04/29/60/873042960.db2.gz LFXYSUPNXZVAOJ-UHFFFAOYSA-N -1 3 395.289 3.504 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccc3cc(Cl)ccc3c1)C(=O)N2 ZINC001196441981 873090376 /nfs/dbraw/zinc/09/03/76/873090376.db2.gz JXOJKVHFUOWDBC-GOSISDBHSA-N -1 3 386.860 3.773 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(C2CC2)c(Br)c1 ZINC001196447122 873096925 /nfs/dbraw/zinc/09/69/25/873096925.db2.gz VFDMWUVGVBADOC-UHFFFAOYSA-N -1 3 384.237 3.759 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(C2CC2)c(Br)c1 ZINC001196447122 873096938 /nfs/dbraw/zinc/09/69/38/873096938.db2.gz VFDMWUVGVBADOC-UHFFFAOYSA-N -1 3 384.237 3.759 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccncc2C(F)(F)F)C2CC2)c(F)c1 ZINC001196407702 873097376 /nfs/dbraw/zinc/09/73/76/873097376.db2.gz SHPUOPJISDVRMD-MRXNPFEDSA-N -1 3 388.386 3.978 20 0 GHADHM CC(C)(CNC(=O)c1cc([O-])cc(I)c1)c1ccccc1 ZINC001196428671 873110693 /nfs/dbraw/zinc/11/06/93/873110693.db2.gz OZEANOWXWOQIOD-UHFFFAOYSA-N -1 3 395.240 3.704 20 0 GHADHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc([O-])ccc3Cl)n2)o1 ZINC000550859786 882697648 /nfs/dbraw/zinc/69/76/48/882697648.db2.gz SNODRSYBZMKDQV-UHFFFAOYSA-N -1 3 391.836 3.651 20 0 GHADHM CC(C)c1ccc(-c2cc(C(=O)[N-]c3nnc(C(F)(F)F)n3C)no2)cc1 ZINC001196742833 873346886 /nfs/dbraw/zinc/34/68/86/873346886.db2.gz SKCPUVAZNOZHJM-UHFFFAOYSA-N -1 3 379.342 3.865 20 0 GHADHM CC(C)COc1ccc(-c2ccc(C(=O)N=c3ncnc4[nH][n-]cc3-4)cc2)cc1 ZINC001196875111 873422446 /nfs/dbraw/zinc/42/24/46/873422446.db2.gz SBWPQDIKBIILNG-UHFFFAOYSA-N -1 3 387.443 3.681 20 0 GHADHM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174912358 882730539 /nfs/dbraw/zinc/73/05/39/882730539.db2.gz MOYKPXLTFHEYJL-IBGZPJMESA-N -1 3 378.419 3.572 20 0 GHADHM COc1cc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)sc1Br ZINC000448538192 873534639 /nfs/dbraw/zinc/53/46/39/873534639.db2.gz MNISQASJUAYDLN-UHFFFAOYSA-N -1 3 397.225 3.988 20 0 GHADHM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001197106002 873601761 /nfs/dbraw/zinc/60/17/61/873601761.db2.gz YFCJHLNPEVAIAK-LJQANCHMSA-N -1 3 383.517 3.678 20 0 GHADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000541462534 873612973 /nfs/dbraw/zinc/61/29/73/873612973.db2.gz ZYDAYILGCUZVQG-UHFFFAOYSA-N -1 3 393.230 3.691 20 0 GHADHM CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000134126969 882747914 /nfs/dbraw/zinc/74/79/14/882747914.db2.gz WBYJGJPIVKGKQZ-UHFFFAOYSA-N -1 3 387.402 3.523 20 0 GHADHM Cc1ccc(SC2(CNC(=O)NCc3cnc(C)[n-]c3=O)CCCC2)cc1 ZINC000541504762 873735008 /nfs/dbraw/zinc/73/50/08/873735008.db2.gz NENDPMQZBOSLDP-UHFFFAOYSA-N -1 3 386.521 3.703 20 0 GHADHM [O-]c1cnc(NC(=S)Nc2c(F)c(F)cc(F)c2F)c(Br)c1 ZINC001197373636 873781618 /nfs/dbraw/zinc/78/16/18/873781618.db2.gz RVWKEZDIGLTPEH-UHFFFAOYSA-N -1 3 396.163 3.915 20 0 GHADHM COC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001197410081 873795779 /nfs/dbraw/zinc/79/57/79/873795779.db2.gz ICYJCATWVAHHEN-UHFFFAOYSA-N -1 3 386.404 3.778 20 0 GHADHM C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001197467440 873822947 /nfs/dbraw/zinc/82/29/47/873822947.db2.gz FDLGUWDDFNNIKH-SECBINFHSA-N -1 3 393.274 3.709 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC001197550652 873892856 /nfs/dbraw/zinc/89/28/56/873892856.db2.gz PFNAZORHKHTBQS-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM CCOC(=O)c1cc2cc([N-]S(=O)(=O)Cc3c(F)cccc3F)ccc2o1 ZINC001197600514 873934352 /nfs/dbraw/zinc/93/43/52/873934352.db2.gz QYZIKIUVXNNCSU-UHFFFAOYSA-N -1 3 395.383 3.830 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C ZINC001197698148 873988535 /nfs/dbraw/zinc/98/85/35/873988535.db2.gz ARCPMJCVMWUBJQ-NHYWBVRUSA-N -1 3 393.908 3.655 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-][C@H]1COc2ccc(F)cc21 ZINC001197765471 874003549 /nfs/dbraw/zinc/00/35/49/874003549.db2.gz IFLNRJONTYATAS-ZDUSSCGKSA-N -1 3 376.236 3.686 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804411026 882801852 /nfs/dbraw/zinc/80/18/52/882801852.db2.gz BNJOGIRZDPLZOA-NRFANRHFSA-N -1 3 399.450 3.711 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](c2ccccc2)O1 ZINC000528193567 874197391 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GHADHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1cc(F)ccc1Br ZINC000528500568 874638780 /nfs/dbraw/zinc/63/87/80/874638780.db2.gz VWZDYSMQEICJGS-INIZCTEOSA-N -1 3 399.285 3.803 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Br)c(C)c1 ZINC001198896504 874680224 /nfs/dbraw/zinc/68/02/24/874680224.db2.gz SEGBTNLJTHGQHW-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)Cl)cc2)c(C)c1 ZINC001198943762 874740730 /nfs/dbraw/zinc/74/07/30/874740730.db2.gz PHZCSHZXPCJJAP-UHFFFAOYSA-N -1 3 377.796 3.972 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(C)c1F ZINC000542093151 874934472 /nfs/dbraw/zinc/93/44/72/874934472.db2.gz HUSHSDHPJSMMMI-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccncc2N2CCCCC2)c([O-])c1 ZINC001199366133 874946666 /nfs/dbraw/zinc/94/66/66/874946666.db2.gz YTYTVSCTGHYKRT-UHFFFAOYSA-N -1 3 397.475 3.985 20 0 GHADHM Cc1cnc([C@H](C)OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000770949059 874960382 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CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccncc1 ZINC001201060433 875466937 /nfs/dbraw/zinc/46/69/37/875466937.db2.gz YCTRNMNGZKUZFT-CQSZACIVSA-N -1 3 387.274 3.803 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000542440188 875563800 /nfs/dbraw/zinc/56/38/00/875563800.db2.gz GYOMWMXDUGXPDK-HNNXBMFYSA-N -1 3 376.460 3.510 20 0 GHADHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(C(F)(F)F)c2F)cc1 ZINC001201214929 875581609 /nfs/dbraw/zinc/58/16/09/875581609.db2.gz LFJMTDWNJXDWGR-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM CN(C)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201267658 875602054 /nfs/dbraw/zinc/60/20/54/875602054.db2.gz UBRRKBYJMYJKSB-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)c1ccccc1 ZINC001201276505 875609617 /nfs/dbraw/zinc/60/96/17/875609617.db2.gz ODOYIIQHSVSWHW-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1F ZINC001201351184 875654333 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Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N2CC[C@H](O)C2)c(C)c1C ZINC001201799519 875867272 /nfs/dbraw/zinc/86/72/72/875867272.db2.gz PXIXRYKEPXGCFO-SFHVURJKSA-N -1 3 388.533 3.601 20 0 GHADHM Cc1cccc2cc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)c(Cl)nc12 ZINC000913695915 875879454 /nfs/dbraw/zinc/87/94/54/875879454.db2.gz VFOFCCKHWGBIMZ-UHFFFAOYSA-N -1 3 382.851 3.890 20 0 GHADHM CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529232353 875887729 /nfs/dbraw/zinc/88/77/29/875887729.db2.gz NCLVEHZBUQALFR-OAHLLOKOSA-N -1 3 378.270 3.739 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC000772648543 876063616 /nfs/dbraw/zinc/06/36/16/876063616.db2.gz JPDPIKQXBLREAA-UHFFFAOYSA-N -1 3 378.819 3.600 20 0 GHADHM CC(C)c1c(C(=O)[N-]NC(=O)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000030549163 876263298 /nfs/dbraw/zinc/26/32/98/876263298.db2.gz JLZAWEMQESEWNP-UHFFFAOYSA-N -1 3 382.851 3.724 20 0 GHADHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529523137 876280839 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C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000786135384 876500927 /nfs/dbraw/zinc/50/09/27/876500927.db2.gz BDBKJXYLKRRHON-SECBINFHSA-N -1 3 376.821 3.839 20 0 GHADHM Cc1cccc(C)c1-n1nnnc1COC(=O)c1cc2sccc2c([O-])c1 ZINC000786138467 876503476 /nfs/dbraw/zinc/50/34/76/876503476.db2.gz UCILGRMKPMQHJR-UHFFFAOYSA-N -1 3 380.429 3.556 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000786259661 876558217 /nfs/dbraw/zinc/55/82/17/876558217.db2.gz ASHXQKAHFLQQHF-SNVBAGLBSA-N -1 3 385.798 3.508 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000492288653 876581155 /nfs/dbraw/zinc/58/11/55/876581155.db2.gz HRUHBCZHVBJZQR-INIZCTEOSA-N -1 3 384.439 3.967 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529822931 876719976 /nfs/dbraw/zinc/71/99/76/876719976.db2.gz RCGOTGUDIVHHML-UHFFFAOYSA-N -1 3 376.225 3.915 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1F ZINC001129652666 883085404 /nfs/dbraw/zinc/08/54/04/883085404.db2.gz QXBRTUIPRQUKGH-GOEBONIOSA-N -1 3 398.544 3.847 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000850576234 877045105 /nfs/dbraw/zinc/04/51/05/877045105.db2.gz JMVTVRJOWMEBSW-YOEHRIQHSA-N -1 3 398.507 3.853 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)CCC2 ZINC000850576952 877047946 /nfs/dbraw/zinc/04/79/46/877047946.db2.gz URJLYXZZJLPJCO-SFHVURJKSA-N -1 3 398.507 3.683 20 0 GHADHM C[C@@H]1CC[C@@H](NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)c2ccccc21 ZINC000850577275 877048641 /nfs/dbraw/zinc/04/86/41/877048641.db2.gz XQNJRPIUBXBKEQ-RDTXWAMCSA-N -1 3 398.507 3.935 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000787022132 877098165 /nfs/dbraw/zinc/09/81/65/877098165.db2.gz LZTLLGRIEZVXGI-PBHICJAKSA-N -1 3 394.487 3.616 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000787120990 877164040 /nfs/dbraw/zinc/16/40/40/877164040.db2.gz KMTUCCIXDKJTJB-KRWDZBQOSA-N -1 3 385.357 3.723 20 0 GHADHM COc1ccc(-c2nnc([N-]C(=O)c3sc([C@@H](C)OC)nc3C)s2)cc1 ZINC000136420661 877205847 /nfs/dbraw/zinc/20/58/47/877205847.db2.gz MRSHKTPSTFXIQB-SNVBAGLBSA-N -1 3 390.490 3.938 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@]3(C(=O)OC(C)(C)C)CC3(C)C)c2)n1 ZINC000850859799 877237433 /nfs/dbraw/zinc/23/74/33/877237433.db2.gz AGEYLNWDBRQHLX-QFIPXVFZSA-N -1 3 398.459 3.821 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1)c1ccccc1 ZINC000451017378 877239072 /nfs/dbraw/zinc/23/90/72/877239072.db2.gz NPDNNBPNJURDPF-SFHVURJKSA-N -1 3 382.913 3.531 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000610058049 877340875 /nfs/dbraw/zinc/34/08/75/877340875.db2.gz BYBOCQVGWIRJTJ-UHFFFAOYSA-N -1 3 391.489 3.609 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000109743964 877386420 /nfs/dbraw/zinc/38/64/20/877386420.db2.gz AKSMDPOIZCSUGY-UHFFFAOYSA-N -1 3 390.439 3.809 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 ZINC000551564260 877442523 /nfs/dbraw/zinc/44/25/23/877442523.db2.gz HWNFKHCVKIXSAG-WBVHZDCISA-N -1 3 398.912 3.575 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCc2cc(Br)c(Cl)cc21 ZINC000787534364 877459714 /nfs/dbraw/zinc/45/97/14/877459714.db2.gz QPDNPRGXLWPCIO-UHFFFAOYSA-N -1 3 396.624 3.740 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000477355406 877478654 /nfs/dbraw/zinc/47/86/54/877478654.db2.gz QEJSGDWSIVQUFQ-UHFFFAOYSA-N -1 3 381.885 3.587 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000136994672 877481224 /nfs/dbraw/zinc/48/12/24/877481224.db2.gz IDRAGGIHVXVOJF-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000136994672 877481229 /nfs/dbraw/zinc/48/12/29/877481229.db2.gz IDRAGGIHVXVOJF-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)CSCc1nc(CC)cc(=O)[n-]1 ZINC000477349869 877499718 /nfs/dbraw/zinc/49/97/18/877499718.db2.gz IUAMJKKZCSGXGN-MRXNPFEDSA-N -1 3 389.521 3.644 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000615282857 877592854 /nfs/dbraw/zinc/59/28/54/877592854.db2.gz URMWFIMIGAOTJL-WCBMZHEXSA-N -1 3 376.297 3.706 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000787841877 877660653 /nfs/dbraw/zinc/66/06/53/877660653.db2.gz BHHRQNBGHSDJAG-AWEZNQCLSA-N -1 3 391.414 3.583 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(F)cc1F ZINC000787845128 877664461 /nfs/dbraw/zinc/66/44/61/877664461.db2.gz MTVOSBPAWUBHAP-LLVKDONJSA-N -1 3 381.350 3.703 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000787845136 877664683 /nfs/dbraw/zinc/66/46/83/877664683.db2.gz MYKDWQZTVXALRN-LLVKDONJSA-N -1 3 381.350 3.703 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000787848525 877667579 /nfs/dbraw/zinc/66/75/79/877667579.db2.gz PHANXMXPOFRLSQ-MRXNPFEDSA-N -1 3 387.451 3.891 20 0 GHADHM CC(C)c1[nH]ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000285412121 912281198 /nfs/dbraw/zinc/28/11/98/912281198.db2.gz PPTJLBKSPLYMAY-UHFFFAOYSA-N -1 3 389.399 3.781 20 0 GHADHM O=C([O-])c1ccc(Br)cc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000851708980 877872689 /nfs/dbraw/zinc/87/26/89/877872689.db2.gz CJPLSXOCJPMMFF-HDICACEKSA-N -1 3 380.282 3.540 20 0 GHADHM Cc1c(NC(=O)c2cc3sccc3c([O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000788260762 877964438 /nfs/dbraw/zinc/96/44/38/877964438.db2.gz GUWHVSOFTLZGDD-UHFFFAOYSA-N -1 3 379.441 3.657 20 0 GHADHM COc1cc(Br)cc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1 ZINC001183111188 912294444 /nfs/dbraw/zinc/29/44/44/912294444.db2.gz GMUQRCBUDKBCKK-UHFFFAOYSA-N -1 3 387.233 3.860 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c([O-])c1 ZINC000530511265 877982064 /nfs/dbraw/zinc/98/20/64/877982064.db2.gz KASAWVNVZVHQTC-CQSZACIVSA-N -1 3 375.387 3.755 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cnc1Cl ZINC000788555840 878148623 /nfs/dbraw/zinc/14/86/23/878148623.db2.gz ULYUNCFSPUKTJY-LBPRGKRZSA-N -1 3 382.766 3.606 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000176283816 878184889 /nfs/dbraw/zinc/18/48/89/878184889.db2.gz SZWRUICLFSLUJV-UHFFFAOYSA-N -1 3 395.484 3.940 20 0 GHADHM O=S(=O)([N-]CCCC1CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000451606035 878204748 /nfs/dbraw/zinc/20/47/48/878204748.db2.gz GGODJXHBJZTTNG-UHFFFAOYSA-N -1 3 385.835 3.844 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc2nc(C(F)F)sc2c1 ZINC000493052895 878211293 /nfs/dbraw/zinc/21/12/93/878211293.db2.gz FTTWCPBIGYMKQG-UHFFFAOYSA-N -1 3 392.313 3.693 20 0 GHADHM O=c1nc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000451699115 878320691 /nfs/dbraw/zinc/32/06/91/878320691.db2.gz UEBDVUNZWUOLIN-MCIONIFRSA-N -1 3 385.489 3.640 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)c([O-])c1 ZINC000537823210 878343172 /nfs/dbraw/zinc/34/31/72/878343172.db2.gz MTUYDFNQXDMTJJ-UHFFFAOYSA-N -1 3 399.472 3.614 20 0 GHADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000176673332 878347769 /nfs/dbraw/zinc/34/77/69/878347769.db2.gz NKLVYLSSVAECRX-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1F ZINC000180023208 878356966 /nfs/dbraw/zinc/35/69/66/878356966.db2.gz OVJHHUMCJICGIO-UHFFFAOYSA-N -1 3 389.202 3.606 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)/C=C(/C)c2cccc(F)c2)cc1OC ZINC000110640748 878383193 /nfs/dbraw/zinc/38/31/93/878383193.db2.gz FVNCHLBGWJIBDA-RAXLEYEMSA-N -1 3 392.452 3.638 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCOC[C@H]3c3cc(F)cc(F)c3)cc(=O)oc12 ZINC000852538858 878410012 /nfs/dbraw/zinc/41/00/12/878410012.db2.gz MPOLCNMZYWECAI-SFHVURJKSA-N -1 3 387.382 3.659 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000537867071 878419828 /nfs/dbraw/zinc/41/98/28/878419828.db2.gz GDMURVXBPDAHIA-KXBFYZLASA-N -1 3 389.448 3.936 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c1Cl ZINC000616017661 878427779 /nfs/dbraw/zinc/42/77/79/878427779.db2.gz KXUSKSJDIVSOBN-UHFFFAOYSA-N -1 3 396.299 3.966 20 0 GHADHM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000180086040 878504562 /nfs/dbraw/zinc/50/45/62/878504562.db2.gz DGIFOGOPHFCGEL-LLVKDONJSA-N -1 3 390.237 3.767 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(CCC(=O)OCC)CC2)c([O-])c1 ZINC000616170361 878627834 /nfs/dbraw/zinc/62/78/34/878627834.db2.gz XMTBFYBQVFYXNA-UHFFFAOYSA-N -1 3 377.481 3.767 20 0 GHADHM CCc1cnc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000530859353 878630247 /nfs/dbraw/zinc/63/02/47/878630247.db2.gz IYEJAHXVBVUEEH-UHFFFAOYSA-N -1 3 383.477 3.840 20 0 GHADHM O=c1cc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c2ccc([O-])cc2o1 ZINC000180223829 878671061 /nfs/dbraw/zinc/67/10/61/878671061.db2.gz ZGYKBPUSEGXVQD-UHFFFAOYSA-N -1 3 394.254 3.800 20 0 GHADHM O=C1C(=Cc2ccc(Br)cc2[O-])NC(=S)N1C1CCCCC1 ZINC000853003529 878747585 /nfs/dbraw/zinc/74/75/85/878747585.db2.gz NGWJOKURQOYLJA-JYRVWZFOSA-N -1 3 381.295 3.545 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)o1)c1ccc(OC)c(OC)c1 ZINC000460936390 878857579 /nfs/dbraw/zinc/85/75/79/878857579.db2.gz PBJNVAOQCQATPD-UHFFFAOYSA-N -1 3 381.494 3.642 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2[C@H](C)C2(F)F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000461006609 878988400 /nfs/dbraw/zinc/98/84/00/878988400.db2.gz WJXLFOJOVKYWOA-MEDUHNTESA-N -1 3 398.406 3.775 20 0 GHADHM CCOC[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180621718 879086501 /nfs/dbraw/zinc/08/65/01/879086501.db2.gz NFTGTLAWJXPDDY-SNVBAGLBSA-N -1 3 393.119 3.776 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000789734328 879205607 /nfs/dbraw/zinc/20/56/07/879205607.db2.gz IVVZVPWLGCZSCQ-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000616890488 879206530 /nfs/dbraw/zinc/20/65/30/879206530.db2.gz JDFUGDXZFLFCSP-IBGZPJMESA-N -1 3 377.481 3.936 20 0 GHADHM COc1ccccc1N1CC[C@@H](CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646789154 879210902 /nfs/dbraw/zinc/21/09/02/879210902.db2.gz NXGSTERNZRWHLM-ZDUSSCGKSA-N -1 3 394.393 3.676 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CCC2)cc1 ZINC000531157386 879263452 /nfs/dbraw/zinc/26/34/52/879263452.db2.gz YUIMJSOPDHKINY-UHFFFAOYSA-N -1 3 382.386 3.919 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CCC2)cc1 ZINC000531157386 879263466 /nfs/dbraw/zinc/26/34/66/879263466.db2.gz YUIMJSOPDHKINY-UHFFFAOYSA-N -1 3 382.386 3.919 20 0 GHADHM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1nnc2ccccc2c1[O-] ZINC000111582604 879276472 /nfs/dbraw/zinc/27/64/72/879276472.db2.gz GYIGZSNNYSFARD-LJQANCHMSA-N -1 3 399.454 3.606 20 0 GHADHM O=C([N-]c1nncn1C1CC1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000285825777 912460354 /nfs/dbraw/zinc/46/03/54/912460354.db2.gz OBTXBAPMPPDQQS-UHFFFAOYSA-N -1 3 394.218 3.739 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1OC ZINC000617218308 879488916 /nfs/dbraw/zinc/48/89/16/879488916.db2.gz PEGRXNWHKAIRFA-KRWDZBQOSA-N -1 3 388.489 3.515 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000746887271 879511593 /nfs/dbraw/zinc/51/15/93/879511593.db2.gz UZOQWEKQRQQMDP-QGZVFWFLSA-N -1 3 394.471 3.802 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2)cc1OC ZINC000617219675 879535397 /nfs/dbraw/zinc/53/53/97/879535397.db2.gz LUKSPPNRYLYSPF-ZDUSSCGKSA-N -1 3 394.468 3.728 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)c(F)cc1F ZINC000461339209 879639135 /nfs/dbraw/zinc/63/91/35/879639135.db2.gz JHCFCBANNSJOFM-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000531334171 879640557 /nfs/dbraw/zinc/64/05/57/879640557.db2.gz BILRNBRKIUDUEA-LBPRGKRZSA-N -1 3 379.334 3.636 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCOCC1 ZINC000493871103 879685409 /nfs/dbraw/zinc/68/54/09/879685409.db2.gz GWSRTYRPYAVWRE-GFCCVEGCSA-N -1 3 396.734 3.586 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000538587182 879723463 /nfs/dbraw/zinc/72/34/63/879723463.db2.gz GRHBMBGLXIRFDG-NSHDSACASA-N -1 3 379.254 3.657 20 0 GHADHM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cc(Br)ccc1[O-] ZINC000531394598 879733586 /nfs/dbraw/zinc/73/35/86/879733586.db2.gz DGCLUGQXVWVEEQ-UHFFFAOYSA-N -1 3 398.640 3.761 20 0 GHADHM CCC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)sc2C1 ZINC001183416004 912502403 /nfs/dbraw/zinc/50/24/03/912502403.db2.gz WGJQKWBRTZWFCZ-LBPRGKRZSA-N -1 3 397.500 3.820 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854514880 879872889 /nfs/dbraw/zinc/87/28/89/879872889.db2.gz KWPKOOBIOZJETI-CRAIPNDOSA-N -1 3 379.485 3.873 20 0 GHADHM COc1nnc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)[n-]1 ZINC000182984590 880047106 /nfs/dbraw/zinc/04/71/06/880047106.db2.gz FYZARICISAQHSP-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM COc1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n[n-]1 ZINC000182984590 880047113 /nfs/dbraw/zinc/04/71/13/880047113.db2.gz FYZARICISAQHSP-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1 ZINC000182984590 880047124 /nfs/dbraw/zinc/04/71/24/880047124.db2.gz FYZARICISAQHSP-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(Cl)nc1Cl ZINC000790921626 880064008 /nfs/dbraw/zinc/06/40/08/880064008.db2.gz OAEWGUKMCTXOON-NSHDSACASA-N -1 3 379.309 3.549 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(F)cn3)cc2)cc1 ZINC000184052048 880213015 /nfs/dbraw/zinc/21/30/15/880213015.db2.gz AUDGAXFXIHTMGX-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)c3ccc([S-])cc3)C[C@H](C1)O2 ZINC001272017552 880236416 /nfs/dbraw/zinc/23/64/16/880236416.db2.gz XWIZGMQRZSSDGF-QRQLOZEOSA-N -1 3 376.566 3.717 20 0 GHADHM COc1ccc(OC)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000005071542 880236702 /nfs/dbraw/zinc/23/67/02/880236702.db2.gz GBUGJTFZMGDOBJ-SNVBAGLBSA-N -1 3 388.445 3.537 20 0 GHADHM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2sccc2c([O-])c1 ZINC000791323557 880331407 /nfs/dbraw/zinc/33/14/07/880331407.db2.gz RXBUBLISUGRHGN-UHFFFAOYSA-N -1 3 380.425 3.903 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184602115 880343309 /nfs/dbraw/zinc/34/33/09/880343309.db2.gz NBVYQUFNXZLGSY-UHFFFAOYSA-N -1 3 377.775 3.725 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)nc21 ZINC000185992449 880752228 /nfs/dbraw/zinc/75/22/28/880752228.db2.gz DWGJHEIFMOSLHD-MNOVXSKESA-N -1 3 389.333 3.509 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186290068 880844358 /nfs/dbraw/zinc/84/43/58/880844358.db2.gz OPOIUZFNIAINOK-CYBMUJFWSA-N -1 3 397.372 3.628 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000531975899 880852858 /nfs/dbraw/zinc/85/28/58/880852858.db2.gz NQFBNLNEIAQUPX-GOEBONIOSA-N -1 3 375.266 3.585 20 0 GHADHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000186673502 880954679 /nfs/dbraw/zinc/95/46/79/880954679.db2.gz OXSRMHFBVQZMIY-UHFFFAOYSA-N -1 3 384.885 3.602 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cnn(-c3ccccc3)c2)[n-]c1-c1ccccc1 ZINC000186838256 881000790 /nfs/dbraw/zinc/00/07/90/881000790.db2.gz BOVPHDVPWHFNNX-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cnn(-c3ccccc3)c2)nc1-c1ccccc1 ZINC000186838256 881000799 /nfs/dbraw/zinc/00/07/99/881000799.db2.gz BOVPHDVPWHFNNX-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cn3cc(Cl)ccc3n2)[n-]c1-c1ccccc1 ZINC000186843330 881002059 /nfs/dbraw/zinc/00/20/59/881002059.db2.gz TWJVSDWMVMFSJA-UHFFFAOYSA-N -1 3 386.864 3.660 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cn3cc(Cl)ccc3n2)nc1-c1ccccc1 ZINC000186843330 881002079 /nfs/dbraw/zinc/00/20/79/881002079.db2.gz TWJVSDWMVMFSJA-UHFFFAOYSA-N -1 3 386.864 3.660 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1F ZINC000187068330 881062735 /nfs/dbraw/zinc/06/27/35/881062735.db2.gz UZIXHKZALGZMNH-UHFFFAOYSA-N -1 3 393.415 3.577 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OCC3CCC3)C2)c2ccccc12 ZINC000856344444 881154316 /nfs/dbraw/zinc/15/43/16/881154316.db2.gz KDWKZPAUGKLZJK-QGZVFWFLSA-N -1 3 396.487 3.549 20 0 GHADHM Cc1csc(CCCCNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000120016590 881284464 /nfs/dbraw/zinc/28/44/64/881284464.db2.gz UCBVQESUPFJSBW-UHFFFAOYSA-N -1 3 398.326 3.742 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)c(Cl)nc12 ZINC001129732756 883142682 /nfs/dbraw/zinc/14/26/82/883142682.db2.gz PJWVRLGLYPFSNS-UHFFFAOYSA-N -1 3 382.786 3.768 20 0 GHADHM Cc1cccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)c(Cl)nc12 ZINC001129732756 883142691 /nfs/dbraw/zinc/14/26/91/883142691.db2.gz PJWVRLGLYPFSNS-UHFFFAOYSA-N -1 3 382.786 3.768 20 0 GHADHM O=c1[n-]c(SCc2cccc3c2OCCO3)nc2c1cnn2-c1ccccc1 ZINC000064338271 883180736 /nfs/dbraw/zinc/18/07/36/883180736.db2.gz XRXVIPNLKDJCQJ-UHFFFAOYSA-N -1 3 392.440 3.585 20 0 GHADHM CCOc1c(Cl)cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1OC ZINC000551057456 883200558 /nfs/dbraw/zinc/20/05/58/883200558.db2.gz YAJJGQPMESCYFI-HXUWFJFHSA-N -1 3 393.842 3.902 20 0 GHADHM Cc1nc(-c2ccc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)nc2)[n-]c(=O)c1C ZINC000804704111 883294282 /nfs/dbraw/zinc/29/42/82/883294282.db2.gz DRLRGPQTEUOGDA-SUMWQHHRSA-N -1 3 379.291 3.881 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286319459 912691272 /nfs/dbraw/zinc/69/12/72/912691272.db2.gz PXNBUIHNRNYXNF-GUYCJALGSA-N -1 3 395.377 3.817 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC001183647197 912692180 /nfs/dbraw/zinc/69/21/80/912692180.db2.gz GSJQNJNDPLAKSC-YADHBBJMSA-N -1 3 384.435 3.733 20 0 GHADHM CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000135365921 883321443 /nfs/dbraw/zinc/32/14/43/883321443.db2.gz HAZVLNQJMUQPIE-GOSISDBHSA-N -1 3 386.879 3.699 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)no1 ZINC000551137854 883372562 /nfs/dbraw/zinc/37/25/62/883372562.db2.gz CYOWJYIQERYFBL-INIZCTEOSA-N -1 3 391.518 3.638 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135561056 883448023 /nfs/dbraw/zinc/44/80/23/883448023.db2.gz JABAMWXSVZECEI-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135561056 883448028 /nfs/dbraw/zinc/44/80/28/883448028.db2.gz JABAMWXSVZECEI-JTQLQIEISA-N -1 3 392.246 3.503 20 0 GHADHM CCc1nc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)co1 ZINC000476998668 883537206 /nfs/dbraw/zinc/53/72/06/883537206.db2.gz URKVCMWZQXOIBD-UHFFFAOYSA-N -1 3 395.644 3.717 20 0 GHADHM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000135992636 883613514 /nfs/dbraw/zinc/61/35/14/883613514.db2.gz ZAYWFCPYYQETMB-UHFFFAOYSA-N -1 3 398.488 3.895 20 0 GHADHM COC1(CNC(=O)c2nnc3ccccc3c2[O-])CCC(c2ccccc2)CC1 ZINC000805228796 883676908 /nfs/dbraw/zinc/67/69/08/883676908.db2.gz PTOMRBJZKZEUIB-UHFFFAOYSA-N -1 3 391.471 3.808 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(CC)CC3)nc(=O)c2c1C ZINC000053376758 883722876 /nfs/dbraw/zinc/72/28/76/883722876.db2.gz AOWDUAHCXMMIMY-GFCCVEGCSA-N -1 3 377.510 3.653 20 0 GHADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c1 ZINC000859392575 883790772 /nfs/dbraw/zinc/79/07/72/883790772.db2.gz CWSFTAAZJXEYNC-UHFFFAOYSA-N -1 3 383.819 3.944 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1c(C)cccc1Cl)OCC ZINC001183719269 912752912 /nfs/dbraw/zinc/75/29/12/912752912.db2.gz ZNTFUCVKQBGHLS-UHFFFAOYSA-N -1 3 394.859 3.730 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000053395859 884051830 /nfs/dbraw/zinc/05/18/30/884051830.db2.gz RBIIEHAHWVHHTA-JXFKEZNVSA-N -1 3 396.487 3.661 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3ccc[nH]3)c2)cc1 ZINC000760418682 884078847 /nfs/dbraw/zinc/07/88/47/884078847.db2.gz VNRGLAMSEAAFQZ-INIZCTEOSA-N -1 3 397.500 3.923 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)[n-]1 ZINC000556202527 884105085 /nfs/dbraw/zinc/10/50/85/884105085.db2.gz TWNIQRHQYFXHEH-NDEPHWFRSA-N -1 3 396.468 3.503 20 0 GHADHM CC(C)[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1nc(C2CC2)no1 ZINC000528397000 884171630 /nfs/dbraw/zinc/17/16/30/884171630.db2.gz STHBQVYULBEPLS-ZDUSSCGKSA-N -1 3 380.242 3.542 20 0 GHADHM CCc1csc(-n2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)n1 ZINC000476170365 884192876 /nfs/dbraw/zinc/19/28/76/884192876.db2.gz QPLOUQDWHZBPDS-UHFFFAOYSA-N -1 3 382.367 3.868 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000064343207 884228967 /nfs/dbraw/zinc/22/89/67/884228967.db2.gz FOUOZEJCDFUTML-UHFFFAOYSA-N -1 3 384.233 3.760 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F ZINC000533910348 884290894 /nfs/dbraw/zinc/29/08/94/884290894.db2.gz XLFWRHWDTGZTSK-LBPRGKRZSA-N -1 3 397.777 3.510 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccc(F)cc1 ZINC000914604555 884331232 /nfs/dbraw/zinc/33/12/32/884331232.db2.gz PMTIHYYGQCIJIQ-UHFFFAOYSA-N -1 3 396.459 3.708 20 0 GHADHM COC(=O)NCc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000117230424 884347386 /nfs/dbraw/zinc/34/73/86/884347386.db2.gz VOYGCRLJVNPORU-UHFFFAOYSA-N -1 3 376.478 3.577 20 0 GHADHM Cc1cccnc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556328413 884489141 /nfs/dbraw/zinc/48/91/41/884489141.db2.gz URDGZUODKKWDLX-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM O=C([N-]c1c(F)cccc1F)c1cn(-c2ccccc2Br)nn1 ZINC000914710481 884566788 /nfs/dbraw/zinc/56/67/88/884566788.db2.gz UOMSXZGDDHOFCA-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000914714980 884593127 /nfs/dbraw/zinc/59/31/27/884593127.db2.gz NXQYRHKBBIXIIS-CQSZACIVSA-N -1 3 392.496 3.566 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205069 884630433 /nfs/dbraw/zinc/63/04/33/884630433.db2.gz JCMADUBZHSZHJC-AWEZNQCLSA-N -1 3 398.488 3.642 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@H](c2c[nH]c3ccccc23)C(F)(F)F)[n-]n1 ZINC001183861526 912857817 /nfs/dbraw/zinc/85/78/17/912857817.db2.gz HGWOARVSHLPYTB-GFCCVEGCSA-N -1 3 394.353 3.742 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C[C@H](c2c[nH]c3ccccc23)C(F)(F)F)n[n-]1 ZINC001183861526 912857833 /nfs/dbraw/zinc/85/78/33/912857833.db2.gz HGWOARVSHLPYTB-GFCCVEGCSA-N -1 3 394.353 3.742 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)cc2OCC(F)F)c2ccccc21 ZINC000806552466 884802389 /nfs/dbraw/zinc/80/23/89/884802389.db2.gz UHMXCTRSJSYSAX-JYRVWZFOSA-N -1 3 378.762 3.707 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)N[C@H](c1ccccc1)C1CCCC1 ZINC000919061882 884831935 /nfs/dbraw/zinc/83/19/35/884831935.db2.gz UXGWPMKDQHGQIH-OAQYLSRUSA-N -1 3 393.443 3.874 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)N[C@H](c1ccccc1)C1CCCC1 ZINC000919061882 884831942 /nfs/dbraw/zinc/83/19/42/884831942.db2.gz UXGWPMKDQHGQIH-OAQYLSRUSA-N -1 3 393.443 3.874 20 0 GHADHM CCCC[C@H](CC)CNC(=S)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806596155 884836997 /nfs/dbraw/zinc/83/69/97/884836997.db2.gz UAKIWRDYSNPCJS-AJNGGQMLSA-N -1 3 395.535 3.855 20 0 GHADHM Cn1c(=O)oc2cc([N-]C(=O)c3c(F)cc(C(F)(F)F)cc3F)c(F)cc21 ZINC001275264129 912881003 /nfs/dbraw/zinc/88/10/03/912881003.db2.gz PSCDAMMEMVOSIU-UHFFFAOYSA-N -1 3 390.239 3.820 20 0 GHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2F)n1 ZINC000747363264 885144928 /nfs/dbraw/zinc/14/49/28/885144928.db2.gz DPPKZFPFKNKJBW-UHFFFAOYSA-N -1 3 383.427 3.808 20 0 GHADHM CC(C)(c1nnc(NC(=O)c2c[n-]c3ccccc3c2=O)s1)c1ccccc1 ZINC000106809370 885170933 /nfs/dbraw/zinc/17/09/33/885170933.db2.gz CTQOKTMVOFYMLV-UHFFFAOYSA-N -1 3 390.468 3.958 20 0 GHADHM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001127332251 885238321 /nfs/dbraw/zinc/23/83/21/885238321.db2.gz YACQSYYGOIHPPR-UHFFFAOYSA-N -1 3 392.337 3.662 20 0 GHADHM Cc1sc2ncnc(SCCC(=O)[N-]OCCC(F)(F)F)c2c1C ZINC000154945560 885265117 /nfs/dbraw/zinc/26/51/17/885265117.db2.gz JUXOQPWBFXPQID-UHFFFAOYSA-N -1 3 379.429 3.791 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](c3ccc(F)cc3)C(C)C)n[n-]2)o1 ZINC000919325966 885334438 /nfs/dbraw/zinc/33/44/38/885334438.db2.gz RBWVOEAWMIMIOQ-FQEVSTJZSA-N -1 3 399.422 3.788 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](c3ccc(F)cc3)C(C)C)[n-]n2)o1 ZINC000919325966 885334461 /nfs/dbraw/zinc/33/44/61/885334461.db2.gz RBWVOEAWMIMIOQ-FQEVSTJZSA-N -1 3 399.422 3.788 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000919326770 885337712 /nfs/dbraw/zinc/33/77/12/885337712.db2.gz DCENKERYZMRKSP-LSDHHAIUSA-N -1 3 395.459 3.963 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000919326770 885337728 /nfs/dbraw/zinc/33/77/28/885337728.db2.gz DCENKERYZMRKSP-LSDHHAIUSA-N -1 3 395.459 3.963 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@H]3CCCc4ccccc43)n[n-]2)o1 ZINC000919328362 885341853 /nfs/dbraw/zinc/34/18/53/885341853.db2.gz CVEXOHYRCQEWIG-IBGZPJMESA-N -1 3 393.443 3.671 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@H]3CCCc4ccccc43)[n-]n2)o1 ZINC000919328362 885341872 /nfs/dbraw/zinc/34/18/72/885341872.db2.gz CVEXOHYRCQEWIG-IBGZPJMESA-N -1 3 393.443 3.671 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)NCc3ccccc3F)C(C)C)n[n-]2)o1 ZINC000919329295 885346292 /nfs/dbraw/zinc/34/62/92/885346292.db2.gz NQUZILGMOGVJII-IBGZPJMESA-N -1 3 399.422 3.615 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)NCc3ccccc3F)C(C)C)[n-]n2)o1 ZINC000919329295 885346310 /nfs/dbraw/zinc/34/63/10/885346310.db2.gz NQUZILGMOGVJII-IBGZPJMESA-N -1 3 399.422 3.615 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](NCC(F)(F)F)C(C)C)c2)n1 ZINC000666587448 885366734 /nfs/dbraw/zinc/36/67/34/885366734.db2.gz HYNKDNIKOXSUJD-INIZCTEOSA-N -1 3 396.413 3.527 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2cn(-c3ccccc3Cl)nn2)s1 ZINC000476437299 885834764 /nfs/dbraw/zinc/83/47/64/885834764.db2.gz UAMLCBKWNOWLNK-UHFFFAOYSA-N -1 3 376.873 3.928 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC23CCCCC3)ccc1F ZINC001131122686 885918912 /nfs/dbraw/zinc/91/89/12/885918912.db2.gz HSKUSDIBLJRHEG-SFHVURJKSA-N -1 3 396.528 3.745 20 0 GHADHM O=C(CCN1C(=S)N=NC1c1cccs1)Nc1ccc(Cl)cc1[O-] ZINC000153499146 885955030 /nfs/dbraw/zinc/95/50/30/885955030.db2.gz SWHRYOLBRYEYNX-UHFFFAOYSA-N -1 3 380.882 3.683 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cn2c3ccccc3nc2SC(F)F)c1[O-] ZINC000808188214 886083707 /nfs/dbraw/zinc/08/37/07/886083707.db2.gz RWBHXRLGHGIFGU-UHFFFAOYSA-N -1 3 391.399 3.898 20 0 GHADHM CCCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000118214011 886170885 /nfs/dbraw/zinc/17/08/85/886170885.db2.gz IXWQOCKQFGYIAC-UHFFFAOYSA-N -1 3 390.505 3.859 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1)c1ccco1 ZINC000476499735 886200371 /nfs/dbraw/zinc/20/03/71/886200371.db2.gz KZZHZCXXQCQLDF-GOSISDBHSA-N -1 3 399.468 3.567 20 0 GHADHM CN(c1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cs1)c1ccccc1 ZINC001127354360 886256181 /nfs/dbraw/zinc/25/61/81/886256181.db2.gz DLIUMFCHAFLXIZ-UHFFFAOYSA-N -1 3 384.852 3.859 20 0 GHADHM O=C(CSc1cccc(Br)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000119204356 886456595 /nfs/dbraw/zinc/45/65/95/886456595.db2.gz DGAYUIRAYDPOKW-UHFFFAOYSA-N -1 3 379.239 3.558 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])c1ccnc(C(F)(F)F)c1 ZINC000808524211 886457840 /nfs/dbraw/zinc/45/78/40/886457840.db2.gz MVIMSSZDRBGUKZ-UHFFFAOYSA-N -1 3 377.677 3.638 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c1 ZINC000808559408 886469529 /nfs/dbraw/zinc/46/95/29/886469529.db2.gz POKYATPLMILWFJ-UHFFFAOYSA-N -1 3 382.869 3.718 20 0 GHADHM COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000862754915 886583104 /nfs/dbraw/zinc/58/31/04/886583104.db2.gz HWDVMDMAHKYLTH-MRXNPFEDSA-N -1 3 382.485 3.620 20 0 GHADHM C/C=C\CNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000863118943 886881217 /nfs/dbraw/zinc/88/12/17/886881217.db2.gz GKQFQCZWKNWOFH-VLWUPBBWSA-N -1 3 393.336 3.766 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1ccc(F)cc1 ZINC000119343037 886928693 /nfs/dbraw/zinc/92/86/93/886928693.db2.gz NUPXKQUIQXHILU-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(Br)n1 ZINC000119408726 887047285 /nfs/dbraw/zinc/04/72/85/887047285.db2.gz LCXZTGYWKGXQFY-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM O=C([O-])[C@]12CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1COCC2 ZINC000863467194 887129415 /nfs/dbraw/zinc/12/94/15/887129415.db2.gz QGIUXTIZSKGXKB-DZGCQCFKSA-N -1 3 397.315 3.647 20 0 GHADHM CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc(O)cc3[O-])cccc21 ZINC000809279814 887267368 /nfs/dbraw/zinc/26/73/68/887267368.db2.gz ORSPKDJZSFVDOW-UHFFFAOYSA-N -1 3 398.459 3.716 20 0 GHADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000459315855 887317444 /nfs/dbraw/zinc/31/74/44/887317444.db2.gz YGCUJUWIZSIRLU-FXAWDEMLSA-N -1 3 393.915 3.840 20 0 GHADHM COC[C@H](C)N(C(=O)c1nnc2ccccc2c1[O-])[C@H]1CCc2ccccc21 ZINC000863726027 887327737 /nfs/dbraw/zinc/32/77/37/887327737.db2.gz COJNMCMYZOIJSM-LIRRHRJNSA-N -1 3 377.444 3.500 20 0 GHADHM O=c1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000794560552 887381019 /nfs/dbraw/zinc/38/10/19/887381019.db2.gz BLIAEMXIXFSKAL-KBPBESRZSA-N -1 3 377.868 3.791 20 0 GHADHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000032589287 887426589 /nfs/dbraw/zinc/42/65/89/887426589.db2.gz HTOFRUMWRWVYDJ-MDWZMJQESA-N -1 3 389.473 3.771 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(SC(F)(F)F)c1 ZINC001184326844 913153450 /nfs/dbraw/zinc/15/34/50/913153450.db2.gz RYMNNXMSWDILCP-SECBINFHSA-N -1 3 394.374 3.673 20 0 GHADHM [O-]c1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1Br ZINC000459336482 887458136 /nfs/dbraw/zinc/45/81/36/887458136.db2.gz PMVSZEKSKSFWOO-UHFFFAOYSA-N -1 3 388.265 3.618 20 0 GHADHM COc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(Cl)c1OCC(C)C ZINC000026254873 887535289 /nfs/dbraw/zinc/53/52/89/887535289.db2.gz IJQZCSOPHJDGBF-UHFFFAOYSA-N -1 3 392.765 3.773 20 0 GHADHM COc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(Cl)c1OCC(C)C ZINC000026254873 887535295 /nfs/dbraw/zinc/53/52/95/887535295.db2.gz IJQZCSOPHJDGBF-UHFFFAOYSA-N -1 3 392.765 3.773 20 0 GHADHM COCc1nocc1C(=O)[N-]c1csc(-c2ccc(Br)cc2)n1 ZINC001131767089 887539297 /nfs/dbraw/zinc/53/92/97/887539297.db2.gz LWBUWQGUSDRUJJ-UHFFFAOYSA-N -1 3 394.250 3.959 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3ccc(F)cc3)c2)n1 ZINC000049304371 887554481 /nfs/dbraw/zinc/55/44/81/887554481.db2.gz XHTRPAOTRMRIRJ-UHFFFAOYSA-N -1 3 393.418 3.740 20 0 GHADHM CCOc1cc(CN2CCN(C(C)=O)C3(CCCCC3)C2)cc(Cl)c1[O-] ZINC000459351666 887564069 /nfs/dbraw/zinc/56/40/69/887564069.db2.gz JNTVLZJDPAPSQL-UHFFFAOYSA-N -1 3 380.916 3.811 20 0 GHADHM CC(C)Cc1ncc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000794595220 887636872 /nfs/dbraw/zinc/63/68/72/887636872.db2.gz VGJTVNIDHIXQSF-BQYQJAHWSA-N -1 3 396.310 3.850 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c([O-])c1 ZINC000536620465 887683472 /nfs/dbraw/zinc/68/34/72/887683472.db2.gz YURIVOHRMOYTNF-UHFFFAOYSA-N -1 3 383.444 3.564 20 0 GHADHM COc1cccc2cc(CN3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)oc21 ZINC000809769301 887757051 /nfs/dbraw/zinc/75/70/51/887757051.db2.gz JUIQYEUNJWHWGH-MKBNYLNASA-N -1 3 384.398 3.719 20 0 GHADHM [O-]c1cccc(CNCc2ccnc(OCC(F)(F)F)c2)c1Br ZINC000459371511 887770178 /nfs/dbraw/zinc/77/01/78/887770178.db2.gz IEXMEAYZMMJGJE-UHFFFAOYSA-N -1 3 391.187 3.781 20 0 GHADHM CCOc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000864505135 887810388 /nfs/dbraw/zinc/81/03/88/887810388.db2.gz BGWUSAABIZXFNR-KRWDZBQOSA-N -1 3 377.412 3.547 20 0 GHADHM O=C([O-])[C@H](CNCc1cccnc1Br)Cc1ccc(Cl)cc1 ZINC000864504942 887810577 /nfs/dbraw/zinc/81/05/77/887810577.db2.gz ULKIAQYGXLZJHL-ZDUSSCGKSA-N -1 3 383.673 3.531 20 0 GHADHM CC(C)=CC[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000864528874 887831895 /nfs/dbraw/zinc/83/18/95/887831895.db2.gz VQXKERNQUYGZFV-CYBMUJFWSA-N -1 3 378.213 3.950 20 0 GHADHM O=C1[N-]C(=O)C(=CNC[C@H](OCC2CC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000794734565 887972449 /nfs/dbraw/zinc/97/24/49/887972449.db2.gz ACRUUULCERHVOP-FJZBCQJGSA-N -1 3 396.874 3.708 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)c3cc(NC(C)=O)ccc3[O-])ccc2c1 ZINC000055132427 888091732 /nfs/dbraw/zinc/09/17/32/888091732.db2.gz IOUWFFKXENMAIT-UHFFFAOYSA-N -1 3 378.428 3.785 20 0 GHADHM O=C([N-]C[C@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000810070755 888156884 /nfs/dbraw/zinc/15/68/84/888156884.db2.gz XENKXTUPJKCJFB-GFCCVEGCSA-N -1 3 383.241 3.926 20 0 GHADHM COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000810116899 888168435 /nfs/dbraw/zinc/16/84/35/888168435.db2.gz DQUIVHDMDFZRDU-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c([O-])c1 ZINC000055644641 888224421 /nfs/dbraw/zinc/22/44/21/888224421.db2.gz IDYYYCPEIXVJQW-OAHLLOKOSA-N -1 3 378.428 3.866 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(OC)cc4[O-])CC3)c2c1 ZINC000055680509 888241963 /nfs/dbraw/zinc/24/19/63/888241963.db2.gz FEGUZPLHSURJLT-UHFFFAOYSA-N -1 3 380.444 3.911 20 0 GHADHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001211965445 888319655 /nfs/dbraw/zinc/31/96/55/888319655.db2.gz DLYWUAPXSOBHAG-CQSZACIVSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 ZINC000763215523 888322852 /nfs/dbraw/zinc/32/28/52/888322852.db2.gz KZZPUZRRBRVEEU-CQSZACIVSA-N -1 3 395.431 3.521 20 0 GHADHM CC(C)(C)c1nnc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)s1 ZINC000055977032 888340034 /nfs/dbraw/zinc/34/00/34/888340034.db2.gz DVUKXHYKRCANPX-UHFFFAOYSA-N -1 3 396.398 3.687 20 0 GHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1csc(-c2ccccc2)n1 ZINC000532705962 888406740 /nfs/dbraw/zinc/40/67/40/888406740.db2.gz XOYNUAXFJCSFRJ-UHFFFAOYSA-N -1 3 388.518 3.600 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cnc(Cl)c(F)c1 ZINC000324527588 888412009 /nfs/dbraw/zinc/41/20/09/888412009.db2.gz LSGCHPIYRCLLJE-GFCCVEGCSA-N -1 3 376.837 3.529 20 0 GHADHM CC(C)COc1cc([N-]C(=O)c2c(F)ccc(Br)c2F)ncn1 ZINC001132204126 888424297 /nfs/dbraw/zinc/42/42/97/888424297.db2.gz JLGZQHSZJNTCMX-UHFFFAOYSA-N -1 3 386.196 3.804 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)c2ccccc2C2CCC2)s1 ZINC001132326634 888643681 /nfs/dbraw/zinc/64/36/81/888643681.db2.gz MYRJVOBPNCIRAM-UHFFFAOYSA-N -1 3 393.534 3.740 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000120883831 888724642 /nfs/dbraw/zinc/72/46/42/888724642.db2.gz DUQKFZDKQZLNJF-CYBMUJFWSA-N -1 3 380.680 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(-c4cccs4)on3)c2)n1 ZINC000061968465 888979128 /nfs/dbraw/zinc/97/91/28/888979128.db2.gz RYIUKFZPPUSFSE-UHFFFAOYSA-N -1 3 392.440 3.968 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cc2ccc(F)cc2)c2ccccc2F)nc2c1COCC2 ZINC000866629442 888982977 /nfs/dbraw/zinc/98/29/77/888982977.db2.gz GGDHHJKFNFPOFP-FQEVSTJZSA-N -1 3 397.425 3.607 20 0 GHADHM CSc1ccccc1[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000866630440 888984544 /nfs/dbraw/zinc/98/45/44/888984544.db2.gz PSJJFATWPUSITF-NRFANRHFSA-N -1 3 393.512 3.856 20 0 GHADHM CCS[C@@H](C)c1noc(CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000121655819 889075704 /nfs/dbraw/zinc/07/57/04/889075704.db2.gz WJKIWSDKZCIVRS-LBPRGKRZSA-N -1 3 389.477 3.636 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C3CC3)c2)c(F)c1 ZINC001211978525 889089780 /nfs/dbraw/zinc/08/97/80/889089780.db2.gz LQNUUTXSHSZAGC-LBPRGKRZSA-N -1 3 377.437 3.529 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000532855338 889091761 /nfs/dbraw/zinc/09/17/61/889091761.db2.gz RHUPYRRSNNSTOI-LLVKDONJSA-N -1 3 379.532 3.923 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc([O-])ccc3Cl)C2)C1 ZINC000811079142 889144356 /nfs/dbraw/zinc/14/43/56/889144356.db2.gz VPTJGNMUDTUTHL-IBGZPJMESA-N -1 3 380.872 3.519 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)c2ccccc21)C(F)(F)F ZINC000868021508 889262191 /nfs/dbraw/zinc/26/21/91/889262191.db2.gz BYYKXWQUBVXORN-CQSZACIVSA-N -1 3 395.425 3.557 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000123911183 889443777 /nfs/dbraw/zinc/44/37/77/889443777.db2.gz CBNJJRSVCKJMKN-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCc1cccc(Br)c1 ZINC000795025704 889500810 /nfs/dbraw/zinc/50/08/10/889500810.db2.gz GMSHUGIGKMLLIC-UHFFFAOYSA-N -1 3 392.297 3.691 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Oc4cccnc4)cc3)nc21 ZINC000533004053 889504766 /nfs/dbraw/zinc/50/47/66/889504766.db2.gz FXQCWAMXCGKZJH-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM CC(=O)c1cccc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394557 889535812 /nfs/dbraw/zinc/53/58/12/889535812.db2.gz VHSBRPMFBUPXLV-UHFFFAOYSA-N -1 3 376.821 3.881 20 0 GHADHM CC(=O)Nc1ccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811394737 889537774 /nfs/dbraw/zinc/53/77/74/889537774.db2.gz ZHKMFWCUDCPYFX-UHFFFAOYSA-N -1 3 376.821 3.881 20 0 GHADHM CC[C@@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC000868778361 889591970 /nfs/dbraw/zinc/59/19/70/889591970.db2.gz WENQPXXFTGNCQM-DZGCQCFKSA-N -1 3 383.414 3.557 20 0 GHADHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000124702858 889729619 /nfs/dbraw/zinc/72/96/19/889729619.db2.gz TWHDSSQSLULEDM-TZMCWYRMSA-N -1 3 388.316 3.826 20 0 GHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000124988679 889839378 /nfs/dbraw/zinc/83/93/78/889839378.db2.gz MLJBHRFNNRQKIO-UHFFFAOYSA-N -1 3 383.311 3.993 20 0 GHADHM CC(C)c1cccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712339 889891508 /nfs/dbraw/zinc/89/15/08/889891508.db2.gz QILQBNYTGYQNTM-CYBMUJFWSA-N -1 3 387.471 3.897 20 0 GHADHM C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000263633429 889913367 /nfs/dbraw/zinc/91/33/67/889913367.db2.gz PSFAXWJIHUFHJC-MFVBVHDHSA-N -1 3 375.453 3.772 20 0 GHADHM Cc1cc(C)cc(-n2ccnc2SCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000533189177 889981808 /nfs/dbraw/zinc/98/18/08/889981808.db2.gz YYMPXPGMHCDRCO-UHFFFAOYSA-N -1 3 385.464 3.742 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)c2)n1 ZINC000870213507 890266112 /nfs/dbraw/zinc/26/61/12/890266112.db2.gz AEUDTIGZIZDBQY-FKEKPDDDSA-N -1 3 380.444 3.849 20 0 GHADHM CC(C)N(C[C@@H](O)c1ccc2ccccc2c1)C(=O)c1[n-]c(=O)ccc1Cl ZINC001184808454 913451000 /nfs/dbraw/zinc/45/10/00/913451000.db2.gz YGNZVQQNULRHNC-GOSISDBHSA-N -1 3 384.863 3.604 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812278461 890496680 /nfs/dbraw/zinc/49/66/80/890496680.db2.gz GHWOEJGPDCEYDG-HZPDHXFCSA-N -1 3 376.463 3.900 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000812327330 890539545 /nfs/dbraw/zinc/53/95/45/890539545.db2.gz IRUQGHISPUCCBH-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)cc1F ZINC000126473828 890552502 /nfs/dbraw/zinc/55/25/02/890552502.db2.gz BIQUCOFKTXVECW-CYBMUJFWSA-N -1 3 389.445 3.633 20 0 GHADHM CCOc1cc(Br)c(CC(=O)[N-]OC/C=C/Cl)cc1OCC ZINC000812399408 890583253 /nfs/dbraw/zinc/58/32/53/890583253.db2.gz NXPTZOGBTPKGJH-AATRIKPKSA-N -1 3 392.677 3.589 20 0 GHADHM O=C([N-]OCCCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000871210368 890695510 /nfs/dbraw/zinc/69/55/10/890695510.db2.gz GLKVOIZRGKYMKT-CYBMUJFWSA-N -1 3 392.805 3.583 20 0 GHADHM O=C(CC[C@H]1CCCCO1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314569 890746573 /nfs/dbraw/zinc/74/65/73/890746573.db2.gz ONBYGMNLTOGIIF-HUUCEWRRSA-N -1 3 398.425 3.535 20 0 GHADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1cc(Cn2cccn2)on1 ZINC000644787399 913502417 /nfs/dbraw/zinc/50/24/17/913502417.db2.gz WPKSFGCTJNSLQO-UHFFFAOYSA-N -1 3 382.367 3.826 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000533618540 890945428 /nfs/dbraw/zinc/94/54/28/890945428.db2.gz RASFURQFEWZVGN-UHFFFAOYSA-N -1 3 396.786 3.687 20 0 GHADHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1ccc(F)c(C(F)F)c1 ZINC000872004898 891105696 /nfs/dbraw/zinc/10/56/96/891105696.db2.gz ORWHDQMJUMLGSW-SECBINFHSA-N -1 3 390.330 3.802 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCCC23CCCC3)C1)C(F)(F)F ZINC000812930742 891136308 /nfs/dbraw/zinc/13/63/08/891136308.db2.gz UXCTXUXGTKTSNK-LSDHHAIUSA-N -1 3 389.462 3.590 20 0 GHADHM CCO[C@H](CC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825576634 891155745 /nfs/dbraw/zinc/15/57/45/891155745.db2.gz MHHJCLZZPFQAIF-AUUYWEPGSA-N -1 3 379.464 3.526 20 0 GHADHM CCO[C@H](CC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825576634 891155754 /nfs/dbraw/zinc/15/57/54/891155754.db2.gz MHHJCLZZPFQAIF-AUUYWEPGSA-N -1 3 379.464 3.526 20 0 GHADHM CC(C)Oc1ccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)cc1 ZINC000872160783 891185479 /nfs/dbraw/zinc/18/54/79/891185479.db2.gz KIFQDJDLMIDWSE-UHFFFAOYSA-N -1 3 394.422 3.538 20 0 GHADHM O=C(CCCCCc1cccs1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000067136930 891206129 /nfs/dbraw/zinc/20/61/29/891206129.db2.gz WPLGUAHVIWQBFR-UHFFFAOYSA-N -1 3 386.517 3.541 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](c1ccc(Cl)cc1)C(C)C ZINC000796181419 913547575 /nfs/dbraw/zinc/54/75/75/913547575.db2.gz KPRKFPHHVNCJPD-AWEZNQCLSA-N -1 3 390.336 3.753 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1(CO)CCC1 ZINC001212031067 891386830 /nfs/dbraw/zinc/38/68/30/891386830.db2.gz RTHYBTAUTBDFJD-AWEZNQCLSA-N -1 3 399.862 3.824 20 0 GHADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825648837 891446474 /nfs/dbraw/zinc/44/64/74/891446474.db2.gz DKEUZBMNPMHCCP-RHSMWYFYSA-N -1 3 398.854 3.596 20 0 GHADHM CCOc1cccc([C@H]2C[C@H]2NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825648837 891446481 /nfs/dbraw/zinc/44/64/81/891446481.db2.gz DKEUZBMNPMHCCP-RHSMWYFYSA-N -1 3 398.854 3.596 20 0 GHADHM COC(=O)CCSc1ncccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000813515360 891700045 /nfs/dbraw/zinc/70/00/45/891700045.db2.gz AZFNNJDVMHTPQF-UHFFFAOYSA-N -1 3 388.470 3.909 20 0 GHADHM Cc1cc(-c2noc(CCC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)n2)ccc1F ZINC000497578207 891895533 /nfs/dbraw/zinc/89/55/33/891895533.db2.gz KSLZONLGOXMHNN-UHFFFAOYSA-N -1 3 391.406 3.567 20 0 GHADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])c(F)cc1Br ZINC000813733304 891910044 /nfs/dbraw/zinc/91/00/44/891910044.db2.gz BQHDIROTMMGKAQ-UHFFFAOYSA-N -1 3 376.185 3.798 20 0 GHADHM O=C(CCCc1nc(-c2ccc(F)cc2)no1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497574741 891919236 /nfs/dbraw/zinc/91/92/36/891919236.db2.gz KYNUDTZFSFXBAJ-UHFFFAOYSA-N -1 3 391.406 3.649 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCCC1)c1ccc(F)cc1F ZINC001212088661 891943344 /nfs/dbraw/zinc/94/33/44/891943344.db2.gz YYHCGIUSQWTQIS-GOSISDBHSA-N -1 3 381.444 3.537 20 0 GHADHM CCc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000825718314 892060775 /nfs/dbraw/zinc/06/07/75/892060775.db2.gz ZULSESBIIZTQQM-UHFFFAOYSA-N -1 3 396.447 3.592 20 0 GHADHM CCc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000825718314 892060792 /nfs/dbraw/zinc/06/07/92/892060792.db2.gz ZULSESBIIZTQQM-UHFFFAOYSA-N -1 3 396.447 3.592 20 0 GHADHM CCc1ccsc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825733574 892145568 /nfs/dbraw/zinc/14/55/68/892145568.db2.gz DTIUDAGJDHOOIJ-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM CCc1ccsc1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825733574 892145581 /nfs/dbraw/zinc/14/55/81/892145581.db2.gz DTIUDAGJDHOOIJ-UHFFFAOYSA-N -1 3 399.867 3.582 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(I)ccc2[O-])CCO1 ZINC000611556292 892242316 /nfs/dbraw/zinc/24/23/16/892242316.db2.gz LUWCVKIMTWUSLV-JQWIXIFHSA-N -1 3 389.233 3.531 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cnn3c2nc(C)cc3C)s1)c1ccccc1 ZINC000106853625 892293731 /nfs/dbraw/zinc/29/37/31/892293731.db2.gz YULGKHXJFRQBRC-HNNXBMFYSA-N -1 3 392.488 3.992 20 0 GHADHM CC(C)n1nnc([N-]C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)n1 ZINC001134132066 892336928 /nfs/dbraw/zinc/33/69/28/892336928.db2.gz CJKRCFQDTKZHKY-UHFFFAOYSA-N -1 3 383.264 3.937 20 0 GHADHM CCC(CC)(CNCc1c(F)ccc(I)c1F)C(=O)[O-] ZINC000263109499 892437193 /nfs/dbraw/zinc/43/71/93/892437193.db2.gz YJPBDKCOOGUBML-UHFFFAOYSA-N -1 3 397.203 3.550 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263137405 892448231 /nfs/dbraw/zinc/44/82/31/892448231.db2.gz DHNADCTULBZQKB-ZIFCJYIRSA-N -1 3 396.487 3.635 20 0 GHADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3F)cc21 ZINC000917737530 892449629 /nfs/dbraw/zinc/44/96/29/892449629.db2.gz UUKNQLDAPABRPG-UHFFFAOYSA-N -1 3 383.400 3.964 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)c([O-])c1 ZINC000497802928 892472277 /nfs/dbraw/zinc/47/22/77/892472277.db2.gz SCKRIPKBLPWFRB-UHFFFAOYSA-N -1 3 382.441 3.869 20 0 GHADHM CN(C(=O)CCc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825817567 892797781 /nfs/dbraw/zinc/79/77/81/892797781.db2.gz LJIWZGJCJKNECN-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CN(C(=O)CCc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825817567 892797786 /nfs/dbraw/zinc/79/77/86/892797786.db2.gz LJIWZGJCJKNECN-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM COC(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c[n-]1 ZINC000814529733 892863082 /nfs/dbraw/zinc/86/30/82/892863082.db2.gz OOBHKYWZUVPPFZ-UHFFFAOYSA-N -1 3 383.400 3.697 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccc(Cl)nc1C(F)(F)F ZINC000876459886 893183784 /nfs/dbraw/zinc/18/37/84/893183784.db2.gz NYCUVYKKHWDHGN-ZETCQYMHSA-N -1 3 378.763 3.709 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000815125936 893459254 /nfs/dbraw/zinc/45/92/54/893459254.db2.gz DDXIZSXJJBHVKN-CYBMUJFWSA-N -1 3 378.875 3.997 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc2nncn2c1 ZINC000129491220 893498996 /nfs/dbraw/zinc/49/89/96/893498996.db2.gz HGXRNDGIQZXPPJ-UHFFFAOYSA-N -1 3 387.424 3.964 20 0 GHADHM O=c1cc(CN2CCC[C@H]2c2ccc(Br)cn2)nc(C2CC2)[n-]1 ZINC000459447152 893540671 /nfs/dbraw/zinc/54/06/71/893540671.db2.gz GFCBJZJLHYZSAA-HNNXBMFYSA-N -1 3 375.270 3.554 20 0 GHADHM C[C@@H]1CN(c2ccc(NCc3cccc([O-])c3Br)cn2)C[C@@H](C)O1 ZINC000459455561 893559856 /nfs/dbraw/zinc/55/98/56/893559856.db2.gz GIXVJWSVIWWPJT-CHWSQXEVSA-N -1 3 392.297 3.775 20 0 GHADHM Cc1c(C(=O)[N-]c2cccc(Cl)c2SC(F)F)nnn1-c1ccn(C)n1 ZINC000815230159 893584623 /nfs/dbraw/zinc/58/46/23/893584623.db2.gz LGFUKBFZLWGGIW-UHFFFAOYSA-N -1 3 398.826 3.530 20 0 GHADHM Cc1nc(C(=O)Nc2cccc([O-])c2F)nn1-c1c(Cl)cccc1Cl ZINC000129550131 893599969 /nfs/dbraw/zinc/59/99/69/893599969.db2.gz NVDXGEIZDCIZCC-UHFFFAOYSA-N -1 3 381.194 3.980 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)OC)c2ccc(F)c(C)c2)cc(Cl)c1[O-] ZINC000459510954 893704371 /nfs/dbraw/zinc/70/43/71/893704371.db2.gz ZFJRWHJCLSASCE-KRWDZBQOSA-N -1 3 381.831 3.896 20 0 GHADHM Cc1csc(NC2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459522403 893721714 /nfs/dbraw/zinc/72/17/14/893721714.db2.gz HWILUPWQJSOXRQ-UHFFFAOYSA-N -1 3 382.327 3.996 20 0 GHADHM CN(C(=O)[C@H]1CCN(Cc2cccc([O-])c2Br)C1)c1ccccc1 ZINC000459522242 893722069 /nfs/dbraw/zinc/72/20/69/893722069.db2.gz WPMGGVFNOSXRSJ-HNNXBMFYSA-N -1 3 389.293 3.640 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)C(=O)N1c2ccccc2C[C@@H]1C ZINC000459572765 893841102 /nfs/dbraw/zinc/84/11/02/893841102.db2.gz PVYHWHAFEIMRBJ-QWHCGFSZSA-N -1 3 389.293 3.611 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NCc2cccc([O-])c2Br)[C@H]1n1cccn1 ZINC000459573512 893843363 /nfs/dbraw/zinc/84/33/63/893843363.db2.gz RAIDQFPKNYORRL-FRFSOERESA-N -1 3 394.313 3.638 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(OCc4nccn4C)cc3)n[n-]2)o1 ZINC000918526854 893860192 /nfs/dbraw/zinc/86/01/92/893860192.db2.gz JFTHZTSBDDMQGN-UHFFFAOYSA-N -1 3 392.415 3.648 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(OCc4nccn4C)cc3)[n-]n2)o1 ZINC000918526854 893860209 /nfs/dbraw/zinc/86/02/09/893860209.db2.gz JFTHZTSBDDMQGN-UHFFFAOYSA-N -1 3 392.415 3.648 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)o1 ZINC000536892918 894044853 /nfs/dbraw/zinc/04/48/53/894044853.db2.gz IPQXURDGEYKJSN-NRFANRHFSA-N -1 3 383.469 3.981 20 0 GHADHM Cc1ccccc1C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1C ZINC000878432914 894286553 /nfs/dbraw/zinc/28/65/53/894286553.db2.gz MCSCGUFSLJDBIP-UHFFFAOYSA-N -1 3 375.472 3.751 20 0 GHADHM COc1ccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(Br)c1 ZINC000537117874 894335219 /nfs/dbraw/zinc/33/52/19/894335219.db2.gz HZPRUIBWWPPHOI-UHFFFAOYSA-N -1 3 386.249 3.830 20 0 GHADHM Cc1ncc([C@@H](C)NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)s1 ZINC001170807699 894343629 /nfs/dbraw/zinc/34/36/29/894343629.db2.gz CWSXQDFWRUOTRK-MRVPVSSYSA-N -1 3 397.378 3.683 20 0 GHADHM CCOC(=O)c1nnsc1[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000459987372 894485817 /nfs/dbraw/zinc/48/58/17/894485817.db2.gz TXENKMVQEZECDT-UHFFFAOYSA-N -1 3 399.444 3.747 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](CC(=O)[N-]OCCC(F)(F)F)c2ccccc21 ZINC000935501656 894552078 /nfs/dbraw/zinc/55/20/78/894552078.db2.gz MGSUKENZMBQMBM-LBPRGKRZSA-N -1 3 388.386 3.916 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564098606 894592040 /nfs/dbraw/zinc/59/20/40/894592040.db2.gz UQGNLQJDCNGAGB-MUUNZHRXSA-N -1 3 399.516 3.893 20 0 GHADHM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC001135439849 894623655 /nfs/dbraw/zinc/62/36/55/894623655.db2.gz KBKKWHYJJAQWSB-UHFFFAOYSA-N -1 3 390.505 3.628 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(CCC(F)(F)F)s2)c1F ZINC000935764595 894794182 /nfs/dbraw/zinc/79/41/82/894794182.db2.gz WLHFJKQAYONLEG-UHFFFAOYSA-N -1 3 394.321 3.955 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC000816477888 894849291 /nfs/dbraw/zinc/84/92/91/894849291.db2.gz NDEBVXMLIICBLG-IBGZPJMESA-N -1 3 380.872 3.661 20 0 GHADHM COc1ccc(CN(Cc2nnc(-c3ccccc3[O-])o2)[C@H](C)CCCO)cc1 ZINC000879286312 894953128 /nfs/dbraw/zinc/95/31/28/894953128.db2.gz QCUAQVJKLIYVRW-MRXNPFEDSA-N -1 3 397.475 3.614 20 0 GHADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000936016202 894986891 /nfs/dbraw/zinc/98/68/91/894986891.db2.gz ABPZJZASWGBSSL-AOOOYVTPSA-N -1 3 388.336 3.999 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000816656876 895001557 /nfs/dbraw/zinc/00/15/57/895001557.db2.gz FVKRWUYLMYIGNC-HSMVNMDESA-N -1 3 382.888 3.809 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000816976960 895235526 /nfs/dbraw/zinc/23/55/26/895235526.db2.gz NHJCXCQTRIFJNF-LLVKDONJSA-N -1 3 395.550 3.603 20 0 GHADHM COc1cc2c(cc1OC)[C@H](C)N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC000880087826 895505935 /nfs/dbraw/zinc/50/59/35/895505935.db2.gz HMSMMYLNJJKJCV-ZDUSSCGKSA-N -1 3 381.432 3.579 20 0 GHADHM COCc1ccsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000826165320 895731546 /nfs/dbraw/zinc/73/15/46/895731546.db2.gz OTNODIIASOXHIG-VIFPVBQESA-N -1 3 389.506 3.513 20 0 GHADHM COCc1ccsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826165320 895731560 /nfs/dbraw/zinc/73/15/60/895731560.db2.gz OTNODIIASOXHIG-VIFPVBQESA-N -1 3 389.506 3.513 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000565580908 895738702 /nfs/dbraw/zinc/73/87/02/895738702.db2.gz FYOSZLMXDMYOTA-INIZCTEOSA-N -1 3 390.871 3.695 20 0 GHADHM COc1ccc(CN(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)C2CC2)cc1 ZINC000024109908 895787864 /nfs/dbraw/zinc/78/78/64/895787864.db2.gz BNMASNKKZQRDEB-UHFFFAOYSA-N -1 3 397.258 3.678 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cnn(-c3ccccc3)c2)s1 ZINC001135994745 895854160 /nfs/dbraw/zinc/85/41/60/895854160.db2.gz JFRINRJBJOGMMO-UHFFFAOYSA-N -1 3 399.476 3.606 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)ncc3Cl)c2)n1 ZINC000128611198 895869299 /nfs/dbraw/zinc/86/92/99/895869299.db2.gz ZOPPJZYOFBCPQL-UHFFFAOYSA-N -1 3 389.242 3.953 20 0 GHADHM COc1ccc(NC(=O)c2ccc(N)cc2[O-])cc1NC(=O)C1CCCCC1 ZINC000817945239 895972264 /nfs/dbraw/zinc/97/22/64/895972264.db2.gz XTJMXAGLNLTUQC-UHFFFAOYSA-N -1 3 383.448 3.754 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(NCc2ccsc2)cc1 ZINC001136072854 895977030 /nfs/dbraw/zinc/97/70/30/895977030.db2.gz IFJRBJMEUTYKAN-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(NCc2ccsc2)cc1 ZINC001136072854 895977042 /nfs/dbraw/zinc/97/70/42/895977042.db2.gz IFJRBJMEUTYKAN-UHFFFAOYSA-N -1 3 376.445 3.793 20 0 GHADHM Cc1sc2[n-]c(Cn3cc(C(C)(C)O)nn3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000881022819 896073495 /nfs/dbraw/zinc/07/34/95/896073495.db2.gz DTTDZSXCYNMTQE-UHFFFAOYSA-N -1 3 395.488 3.548 20 0 GHADHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645731598 914040037 /nfs/dbraw/zinc/04/00/37/914040037.db2.gz VXEQAHRXQPEQPO-UHFFFAOYSA-N -1 3 398.790 3.576 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC[C@H](c3nncn3C3CC3)C2)c1C ZINC000566290127 896219251 /nfs/dbraw/zinc/21/92/51/896219251.db2.gz BBMURMDLICXFQT-HNNXBMFYSA-N -1 3 391.475 3.860 20 0 GHADHM CCC(CC)(CNCc1nc(N(C)C)n(-c2ccccc2)c1Cl)C(=O)[O-] ZINC000818630001 896222003 /nfs/dbraw/zinc/22/20/03/896222003.db2.gz ROQCJVFZXUXUPF-UHFFFAOYSA-N -1 3 378.904 3.572 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000566616646 896425660 /nfs/dbraw/zinc/42/56/60/896425660.db2.gz BAZRCGJPJKCGPW-CABCVRRESA-N -1 3 382.439 3.933 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)[n-]n1 ZINC001185779857 914077444 /nfs/dbraw/zinc/07/74/44/914077444.db2.gz HFUSPXQXQUTAME-UHFFFAOYSA-N -1 3 383.379 3.699 20 0 GHADHM CCOC(=O)c1cc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)n[n-]1 ZINC001185779857 914077451 /nfs/dbraw/zinc/07/74/51/914077451.db2.gz HFUSPXQXQUTAME-UHFFFAOYSA-N -1 3 383.379 3.699 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cccc3cccnc31)CC2 ZINC000567396838 897117813 /nfs/dbraw/zinc/11/78/13/897117813.db2.gz ATJPYRFKKHBAMA-IBGZPJMESA-N -1 3 392.455 3.826 20 0 GHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1NC(=O)c1cccnc1 ZINC000567431260 897147993 /nfs/dbraw/zinc/14/79/93/897147993.db2.gz AUJBWUHKLLQXTF-UHFFFAOYSA-N -1 3 397.818 3.954 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1cccc(OC)c1 ZINC001136316026 897245355 /nfs/dbraw/zinc/24/53/55/897245355.db2.gz PKCXNNXRXAYBRJ-IBGZPJMESA-N -1 3 385.460 3.949 20 0 GHADHM C[C@@H](N(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1(C)CC1 ZINC000820308789 897259778 /nfs/dbraw/zinc/25/97/78/897259778.db2.gz YJKFEAZBHJUFID-CYBMUJFWSA-N -1 3 393.451 3.706 20 0 GHADHM O=C([N-]c1cccc(C(=O)Nc2cccc(F)c2)c1)c1nnc(-c2ccco2)o1 ZINC001136322436 897266795 /nfs/dbraw/zinc/26/67/95/897266795.db2.gz PXHCRCGMFWVLGH-UHFFFAOYSA-N -1 3 392.346 3.973 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339298 897279547 /nfs/dbraw/zinc/27/95/47/897279547.db2.gz BJWILVPDFXVXHM-CYBMUJFWSA-N -1 3 376.420 3.516 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339298 897279558 /nfs/dbraw/zinc/27/95/58/897279558.db2.gz BJWILVPDFXVXHM-CYBMUJFWSA-N -1 3 376.420 3.516 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826306682 897376846 /nfs/dbraw/zinc/37/68/46/897376846.db2.gz HUAMCTPNUAFBBR-UHFFFAOYSA-N -1 3 380.839 3.760 20 0 GHADHM Cc1ccccc1C1=CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826306682 897376878 /nfs/dbraw/zinc/37/68/78/897376878.db2.gz HUAMCTPNUAFBBR-UHFFFAOYSA-N -1 3 380.839 3.760 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccnc(Cl)c1Br ZINC001136359046 897425091 /nfs/dbraw/zinc/42/50/91/897425091.db2.gz PWBSTRUHFIGGPB-UHFFFAOYSA-N -1 3 385.630 3.861 20 0 GHADHM COC(=O)c1cnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c(Cl)c1 ZINC000820798917 897558423 /nfs/dbraw/zinc/55/84/23/897558423.db2.gz PUKXIGKZESFMOJ-SREVYHEPSA-N -1 3 387.244 3.588 20 0 GHADHM C[C@H]1Cc2ccccc2N1C1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000883410747 897569986 /nfs/dbraw/zinc/56/99/86/897569986.db2.gz IMCRZHCCFVIAPH-KRWDZBQOSA-N -1 3 380.488 3.679 20 0 GHADHM COC(=O)N(C)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001136400657 897651516 /nfs/dbraw/zinc/65/15/16/897651516.db2.gz WGSBSBCEJKHVRH-UHFFFAOYSA-N -1 3 385.807 3.636 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@H](C)C1 ZINC000132095577 897665074 /nfs/dbraw/zinc/66/50/74/897665074.db2.gz CCBCGOIMFTXSLD-WPRPVWTQSA-N -1 3 382.707 3.578 20 0 GHADHM Cc1ncc(C(=O)OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3C)CC2)s1 ZINC000826329624 897691051 /nfs/dbraw/zinc/69/10/51/897691051.db2.gz LJCACAVSZHCJIC-UHFFFAOYSA-N -1 3 398.492 3.520 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)c(F)c1 ZINC000821123838 897724115 /nfs/dbraw/zinc/72/41/15/897724115.db2.gz HOZVRFMJWMWWRI-UHFFFAOYSA-N -1 3 388.247 3.848 20 0 GHADHM CC(=O)N1CC[C@H]([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c2ccccc21 ZINC000821340185 897843102 /nfs/dbraw/zinc/84/31/02/897843102.db2.gz TXODUBDGVWAPGH-INIZCTEOSA-N -1 3 380.341 3.671 20 0 GHADHM Cc1ccc(OC[C@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001136439005 897853258 /nfs/dbraw/zinc/85/32/58/897853258.db2.gz KXWCWBKDXWMWIW-ZDUSSCGKSA-N -1 3 391.493 3.996 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccccc2F)o1 ZINC000821411926 897868720 /nfs/dbraw/zinc/86/87/20/897868720.db2.gz DWFQPZOLAFOIRK-UHFFFAOYSA-N -1 3 380.383 3.672 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2F)o1 ZINC000821411926 897868729 /nfs/dbraw/zinc/86/87/29/897868729.db2.gz DWFQPZOLAFOIRK-UHFFFAOYSA-N -1 3 380.383 3.672 20 0 GHADHM Cc1ccc(CO)cc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185929603 914209024 /nfs/dbraw/zinc/20/90/24/914209024.db2.gz IAKBUANDRQXULQ-UHFFFAOYSA-N -1 3 398.503 3.902 20 0 GHADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132946297 898005939 /nfs/dbraw/zinc/00/59/39/898005939.db2.gz ZTUCQIWTYGXLGE-UHFFFAOYSA-N -1 3 387.842 3.976 20 0 GHADHM C[C@]1(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1(Cl)Cl ZINC000821762556 898082331 /nfs/dbraw/zinc/08/23/31/898082331.db2.gz MTOPHFQFKIIZQU-HNNXBMFYSA-N -1 3 375.202 3.510 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000821840400 898090189 /nfs/dbraw/zinc/09/01/89/898090189.db2.gz UBMPKOYMYHTONI-QLJPJBMISA-N -1 3 390.411 3.518 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(C(F)(F)F)cc1F)c1ccc2n[nH]cc2c1 ZINC001185991656 914219449 /nfs/dbraw/zinc/21/94/49/914219449.db2.gz VMHOVBJKTUVKGE-UHFFFAOYSA-N -1 3 377.294 3.661 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000029102418 898142798 /nfs/dbraw/zinc/14/27/98/898142798.db2.gz FRLGWTMNUKQRES-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000029102418 898142802 /nfs/dbraw/zinc/14/28/02/898142802.db2.gz FRLGWTMNUKQRES-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000133145535 898160268 /nfs/dbraw/zinc/16/02/68/898160268.db2.gz SCZKCTZTYAHWHL-NRFANRHFSA-N -1 3 391.398 3.916 20 0 GHADHM C[C@H](S[C@@H]1CCCCNC1=O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000105623713 898214872 /nfs/dbraw/zinc/21/48/72/898214872.db2.gz ARIIVTBHKHVUDB-GXFFZTMASA-N -1 3 389.502 3.708 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1cc(C(F)F)ccc1Cl ZINC000822153848 898237589 /nfs/dbraw/zinc/23/75/89/898237589.db2.gz PZGMAYXLZNCMCF-UHFFFAOYSA-N -1 3 399.810 3.567 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1cc(C(F)F)ccc1Cl ZINC000822153848 898237604 /nfs/dbraw/zinc/23/76/04/898237604.db2.gz PZGMAYXLZNCMCF-UHFFFAOYSA-N -1 3 399.810 3.567 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C ZINC000106007404 898245840 /nfs/dbraw/zinc/24/58/40/898245840.db2.gz ARXIDTYLOIQNIP-CYBMUJFWSA-N -1 3 388.489 3.858 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C1CC1 ZINC000822205858 898253795 /nfs/dbraw/zinc/25/37/95/898253795.db2.gz KZYCRNMFULJYNF-AWEZNQCLSA-N -1 3 379.439 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C1CC1 ZINC000822205858 898253809 /nfs/dbraw/zinc/25/38/09/898253809.db2.gz KZYCRNMFULJYNF-AWEZNQCLSA-N -1 3 379.439 3.894 20 0 GHADHM COc1cc2nc(-c3ccc(-n4nc(C)cc4Cl)cc3)[n-]c(=O)c2cc1OC ZINC000133275500 898261682 /nfs/dbraw/zinc/26/16/82/898261682.db2.gz YLLMNSVHRGPXTN-UHFFFAOYSA-N -1 3 396.834 3.755 20 0 GHADHM Cc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n(-c2ccc(F)cc2)n1 ZINC001136575482 898308918 /nfs/dbraw/zinc/30/89/18/898308918.db2.gz XNNGJCUXBPGHQV-UHFFFAOYSA-N -1 3 398.344 3.692 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2ccc(F)cc2F)s1 ZINC000569285866 898505598 /nfs/dbraw/zinc/50/55/98/898505598.db2.gz WLBTYFCIGCEAQI-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM O=C([N-]c1ccccc1SC[C@H]1CC1(Cl)Cl)c1nc2ncccn2n1 ZINC000822746226 898605363 /nfs/dbraw/zinc/60/53/63/898605363.db2.gz VKPJZZAXNWIVDH-SNVBAGLBSA-N -1 3 394.287 3.663 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(Br)cc1OC(F)(F)F ZINC001186070461 914271857 /nfs/dbraw/zinc/27/18/57/914271857.db2.gz QOEJSWMJAKYMER-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000800207196 898743332 /nfs/dbraw/zinc/74/33/32/898743332.db2.gz PZBMYDSRFBVCPF-UONOGXRCSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000800207196 898743337 /nfs/dbraw/zinc/74/33/37/898743337.db2.gz PZBMYDSRFBVCPF-UONOGXRCSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000800207196 898743343 /nfs/dbraw/zinc/74/33/43/898743343.db2.gz PZBMYDSRFBVCPF-UONOGXRCSA-N -1 3 388.427 3.534 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1(Cc2cccc(F)c2)CCCCC1 ZINC001136655299 898784384 /nfs/dbraw/zinc/78/43/84/898784384.db2.gz OPFMGVVZOZDFHP-UHFFFAOYSA-N -1 3 393.466 3.815 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1(Cc2cccc(F)c2)CCCCC1 ZINC001136655299 898784396 /nfs/dbraw/zinc/78/43/96/898784396.db2.gz OPFMGVVZOZDFHP-UHFFFAOYSA-N -1 3 393.466 3.815 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1Cl ZINC001136714122 899006720 /nfs/dbraw/zinc/00/67/20/899006720.db2.gz DIDKTJDZEIVXRV-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1Cl ZINC001136714122 899006735 /nfs/dbraw/zinc/00/67/35/899006735.db2.gz DIDKTJDZEIVXRV-SSDOTTSWSA-N -1 3 397.653 3.713 20 0 GHADHM COc1ccc(NCc2ccccc2OCC(C)C)cc1[N-]S(C)(=O)=O ZINC000823529437 899073703 /nfs/dbraw/zinc/07/37/03/899073703.db2.gz PBAQOEYKPBWDEU-UHFFFAOYSA-N -1 3 378.494 3.714 20 0 GHADHM CC(C)Sc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646199407 914318324 /nfs/dbraw/zinc/31/83/24/914318324.db2.gz UWKSGPODNXDLTQ-KGLIPLIRSA-N -1 3 387.505 3.681 20 0 GHADHM c1sc(-c2ccccc2)nc1CCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000823766655 899238792 /nfs/dbraw/zinc/23/87/92/899238792.db2.gz HDHWKCDXNPRSER-UHFFFAOYSA-N -1 3 389.488 3.529 20 0 GHADHM c1sc(-c2ccccc2)nc1CCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000823766655 899238806 /nfs/dbraw/zinc/23/88/06/899238806.db2.gz HDHWKCDXNPRSER-UHFFFAOYSA-N -1 3 389.488 3.529 20 0 GHADHM Cc1c(C[S@](C)=O)cccc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001136800839 899313510 /nfs/dbraw/zinc/31/35/10/899313510.db2.gz GPTKTLNGCYOYSM-SANMLTNESA-N -1 3 388.876 3.621 20 0 GHADHM COc1ccccc1-c1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)s1 ZINC000824154510 899431132 /nfs/dbraw/zinc/43/11/32/899431132.db2.gz PAXSPSOBYRKVSM-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC001186185598 914348474 /nfs/dbraw/zinc/34/84/74/914348474.db2.gz CJPKXPAWIWMNMA-BHYGNILZSA-N -1 3 399.528 3.989 20 0 GHADHM CC(C)[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC000824206803 899452996 /nfs/dbraw/zinc/45/29/96/899452996.db2.gz JDSNCJDJHBPZNM-OAHLLOKOSA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC000824206803 899453004 /nfs/dbraw/zinc/45/30/04/899453004.db2.gz JDSNCJDJHBPZNM-OAHLLOKOSA-N -1 3 379.917 3.696 20 0 GHADHM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000289798329 914353766 /nfs/dbraw/zinc/35/37/66/914353766.db2.gz NAUIURYYFWTEJN-UHFFFAOYSA-N -1 3 376.815 3.676 20 0 GHADHM CC(C)OCCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824315117 899520694 /nfs/dbraw/zinc/52/06/94/899520694.db2.gz KNTXDRFZRNQQHQ-UHFFFAOYSA-N -1 3 395.463 3.594 20 0 GHADHM CC(C)OCCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824315117 899520703 /nfs/dbraw/zinc/52/07/03/899520703.db2.gz KNTXDRFZRNQQHQ-UHFFFAOYSA-N -1 3 395.463 3.594 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000824324111 899528533 /nfs/dbraw/zinc/52/85/33/899528533.db2.gz GYQGGAFQRMMLQN-UHFFFAOYSA-N -1 3 390.447 3.707 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000824324111 899528541 /nfs/dbraw/zinc/52/85/41/899528541.db2.gz GYQGGAFQRMMLQN-UHFFFAOYSA-N -1 3 390.447 3.707 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000824329820 899558762 /nfs/dbraw/zinc/55/87/62/899558762.db2.gz WIYLATMOKHFICN-UHFFFAOYSA-N -1 3 390.447 3.585 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000824329820 899558774 /nfs/dbraw/zinc/55/87/74/899558774.db2.gz WIYLATMOKHFICN-UHFFFAOYSA-N -1 3 390.447 3.585 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000824391426 899580503 /nfs/dbraw/zinc/58/05/03/899580503.db2.gz ITQYKJCHCUCBPJ-BDJLRTHQSA-N -1 3 388.269 3.553 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000824391426 899580509 /nfs/dbraw/zinc/58/05/09/899580509.db2.gz ITQYKJCHCUCBPJ-BDJLRTHQSA-N -1 3 388.269 3.553 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Cl)c(I)c1 ZINC000824415144 899612302 /nfs/dbraw/zinc/61/23/02/899612302.db2.gz JMRHKGQZRIVDNW-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)c(I)c1 ZINC000824415144 899612310 /nfs/dbraw/zinc/61/23/10/899612310.db2.gz JMRHKGQZRIVDNW-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM C[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480528 899626986 /nfs/dbraw/zinc/62/69/86/899626986.db2.gz XVYYMJMYOJHASD-HOTGVXAUSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480528 899626989 /nfs/dbraw/zinc/62/69/89/899626989.db2.gz XVYYMJMYOJHASD-HOTGVXAUSA-N -1 3 391.475 3.528 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c2ccccc2O1 ZINC000332406500 899643348 /nfs/dbraw/zinc/64/33/48/899643348.db2.gz ZYLOLIAPLPLLIE-ZDUSSCGKSA-N -1 3 386.395 3.681 20 0 GHADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470417 899649389 /nfs/dbraw/zinc/64/93/89/899649389.db2.gz IDFJJGAUEBBZKA-OYHNWAKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470417 899649395 /nfs/dbraw/zinc/64/93/95/899649395.db2.gz IDFJJGAUEBBZKA-OYHNWAKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)NCC1(C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498594 899668510 /nfs/dbraw/zinc/66/85/10/899668510.db2.gz ITAVEQJSLZQSAS-AWEZNQCLSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@H](NC(=O)NCC1(C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498594 899668521 /nfs/dbraw/zinc/66/85/21/899668521.db2.gz ITAVEQJSLZQSAS-AWEZNQCLSA-N -1 3 376.464 3.694 20 0 GHADHM Cn1cc([C@H]2N(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2(C)C)cn1 ZINC000570915886 899677450 /nfs/dbraw/zinc/67/74/50/899677450.db2.gz AXNQSTMACNESBN-OAQYLSRUSA-N -1 3 375.472 3.940 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1Cl ZINC000332532580 899741976 /nfs/dbraw/zinc/74/19/76/899741976.db2.gz RGSLPDOEWQPXHC-UHFFFAOYSA-N -1 3 390.842 3.528 20 0 GHADHM CCC(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000571362402 899846379 /nfs/dbraw/zinc/84/63/79/899846379.db2.gz PVDDHMSNNLKMMK-UHFFFAOYSA-N -1 3 378.469 3.887 20 0 GHADHM CC1CCC(NC(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824917062 899888801 /nfs/dbraw/zinc/88/88/01/899888801.db2.gz LUQONYCUXBLGEE-UHFFFAOYSA-N -1 3 399.442 3.673 20 0 GHADHM CC1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824917062 899888806 /nfs/dbraw/zinc/88/88/06/899888806.db2.gz LUQONYCUXBLGEE-UHFFFAOYSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824946972 899900933 /nfs/dbraw/zinc/90/09/33/899900933.db2.gz LQGDOLPOHANXPH-HUUCEWRRSA-N -1 3 376.464 3.646 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824946972 899900940 /nfs/dbraw/zinc/90/09/40/899900940.db2.gz LQGDOLPOHANXPH-HUUCEWRRSA-N -1 3 376.464 3.646 20 0 GHADHM CC[C@H]1C[C@@H](OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825181668 900014653 /nfs/dbraw/zinc/01/46/53/900014653.db2.gz FODBWOWQXBUKRH-GJZGRUSLSA-N -1 3 378.432 3.648 20 0 GHADHM CC[C@H]1C[C@@H](OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825181668 900014665 /nfs/dbraw/zinc/01/46/65/900014665.db2.gz FODBWOWQXBUKRH-GJZGRUSLSA-N -1 3 378.432 3.648 20 0 GHADHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000825304618 900082075 /nfs/dbraw/zinc/08/20/75/900082075.db2.gz DMKIKULJSMFNCP-NSHDSACASA-N -1 3 379.382 3.888 20 0 GHADHM CCN(C(=O)c1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385553 900138203 /nfs/dbraw/zinc/13/82/03/900138203.db2.gz KKTGOQKPAJTGRA-UHFFFAOYSA-N -1 3 384.852 3.797 20 0 GHADHM CCN(C(=O)c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385553 900138210 /nfs/dbraw/zinc/13/82/10/900138210.db2.gz KKTGOQKPAJTGRA-UHFFFAOYSA-N -1 3 384.852 3.797 20 0 GHADHM O=c1[n-]c(=O)n(C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000572424312 900181160 /nfs/dbraw/zinc/18/11/60/900181160.db2.gz DATOGWMYNBNIPT-FZMZJTMJSA-N -1 3 388.773 3.789 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000843887216 900289947 /nfs/dbraw/zinc/28/99/47/900289947.db2.gz VCXKKOVJKGOFKE-QGZVFWFLSA-N -1 3 398.459 3.842 20 0 GHADHM O=C(N[C@H]1CC(=O)c2ccccc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826428980 900315185 /nfs/dbraw/zinc/31/51/85/900315185.db2.gz 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GHADHM O=c1cc(CS(=O)(=O)Cc2cc(Cl)cc(Cl)c2F)nc(C2CC2)[n-]1 ZINC000630448392 907281426 /nfs/dbraw/zinc/28/14/26/907281426.db2.gz IYYGVVCYTPVREF-UHFFFAOYSA-N -1 3 391.251 3.621 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)n1 ZINC001174974548 907295983 /nfs/dbraw/zinc/29/59/83/907295983.db2.gz FLCCBHKIEZKMQP-MRXNPFEDSA-N -1 3 377.492 3.822 20 0 GHADHM CS(=O)(=O)c1cc(Br)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267597 907477992 /nfs/dbraw/zinc/47/79/92/907477992.db2.gz BZWDLAQTMQKTGA-UHFFFAOYSA-N -1 3 378.194 3.580 20 0 GHADHM Brc1ccc(Cn2nccc2Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175426800 907546235 /nfs/dbraw/zinc/54/62/35/907546235.db2.gz CRMQGDQMZXGDNG-UHFFFAOYSA-N -1 3 396.252 3.618 20 0 GHADHM Cn1ncc(-c2ccc(Br)cc2)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428350 907549177 /nfs/dbraw/zinc/54/91/77/907549177.db2.gz YWHABYRLEDBPMO-UHFFFAOYSA-N -1 3 396.252 3.773 20 0 GHADHM CC(=O)c1cc(F)c(Br)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175433375 907552011 /nfs/dbraw/zinc/55/20/11/907552011.db2.gz WIKTZSLZLKDKIA-UHFFFAOYSA-N -1 3 376.189 3.715 20 0 GHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(OC2CCOCC2)nc1 ZINC001175729838 907709196 /nfs/dbraw/zinc/70/91/96/907709196.db2.gz RABLOCUBINCDQQ-UHFFFAOYSA-N -1 3 383.217 3.990 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCCC2(CC2)C1 ZINC000185343649 907755165 /nfs/dbraw/zinc/75/51/65/907755165.db2.gz XOWXSIHWCCGTDX-UHFFFAOYSA-N -1 3 388.464 3.643 20 0 GHADHM [O-]c1c(F)cc(Br)cc1Nc1cccc(CN2CCOCC2)c1 ZINC001175864087 907804470 /nfs/dbraw/zinc/80/44/70/907804470.db2.gz FGGSYINURVDCSF-UHFFFAOYSA-N -1 3 381.245 3.870 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1nc(C2CCCCC2)no1 ZINC000632051067 907911201 /nfs/dbraw/zinc/91/12/01/907911201.db2.gz AYADQHYWXPEULY-VXGBXAGGSA-N -1 3 377.457 3.533 20 0 GHADHM Cc1ccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c(Cl)n1 ZINC001176180540 907959306 /nfs/dbraw/zinc/95/93/06/907959306.db2.gz LUWXUFCPZJISSI-UHFFFAOYSA-N -1 3 382.873 3.777 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCc3ccncc3)nc(=O)c2c1C ZINC000901622013 921406906 /nfs/dbraw/zinc/40/69/06/921406906.db2.gz AKJIUPHWEVGIKK-LLVKDONJSA-N -1 3 389.502 3.859 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)C[C@H](C)C(C)(C)C ZINC001177239305 908479452 /nfs/dbraw/zinc/47/94/52/908479452.db2.gz DPYOGCZLSXMWAR-ZDUSSCGKSA-N -1 3 397.475 3.747 20 0 GHADHM CC(C)Cn1ncc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1-c1ccccc1 ZINC001177648407 908700588 /nfs/dbraw/zinc/70/05/88/908700588.db2.gz CVCCOTZFPFWJDH-UHFFFAOYSA-N -1 3 391.475 3.509 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000193820228 908744725 /nfs/dbraw/zinc/74/47/25/908744725.db2.gz WWGNFLYSSUPYGT-UHFFFAOYSA-N -1 3 389.202 3.606 20 0 GHADHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000193821799 908745779 /nfs/dbraw/zinc/74/57/79/908745779.db2.gz WXMJKYOXGVUHLS-UHFFFAOYSA-N -1 3 378.303 3.640 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCCCC(=O)N1 ZINC000194386821 908940892 /nfs/dbraw/zinc/94/08/92/908940892.db2.gz FHEQHLOBWRSHMC-OAHLLOKOSA-N -1 3 381.457 3.666 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000266306518 909070955 /nfs/dbraw/zinc/07/09/55/909070955.db2.gz LQFVNTFGPGSQOK-QVKFZJNVSA-N -1 3 388.471 3.705 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 ZINC000266583304 909223423 /nfs/dbraw/zinc/22/34/23/909223423.db2.gz PUZNZMKVIVZTHS-CQSZACIVSA-N -1 3 387.505 3.950 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000266971152 909354117 /nfs/dbraw/zinc/35/41/17/909354117.db2.gz BPCIBORBHFIZGI-SNVBAGLBSA-N -1 3 379.407 3.881 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)[n-]n1 ZINC001179075487 909374297 /nfs/dbraw/zinc/37/42/97/909374297.db2.gz BQFJFMONWUSGBY-UHFFFAOYSA-N -1 3 392.337 3.794 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)n[n-]1 ZINC001179075487 909374310 /nfs/dbraw/zinc/37/43/10/909374310.db2.gz BQFJFMONWUSGBY-UHFFFAOYSA-N -1 3 392.337 3.794 20 0 GHADHM Cc1ccc2cc(Cl)cc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c2n1 ZINC001179182739 909398820 /nfs/dbraw/zinc/39/88/20/909398820.db2.gz ITULKTNZRAXVBW-QMMMGPOBSA-N -1 3 383.761 3.825 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(OCc3ccccc3)cs2)n1 ZINC000636113060 909433013 /nfs/dbraw/zinc/43/30/13/909433013.db2.gz SDFHWDNJAITYAK-UHFFFAOYSA-N -1 3 383.473 3.796 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Cl)cc2Br)n1 ZINC000636116015 909434867 /nfs/dbraw/zinc/43/48/67/909434867.db2.gz ZMBNIPOWIYZCFL-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM CC(C)c1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cnn1-c1ccccc1 ZINC000636317658 909535709 /nfs/dbraw/zinc/53/57/09/909535709.db2.gz JCNCDHDNXYWFRV-UHFFFAOYSA-N -1 3 391.475 3.689 20 0 GHADHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317328 909536210 /nfs/dbraw/zinc/53/62/10/909536210.db2.gz CHMVIWWYXODDJH-UHFFFAOYSA-N -1 3 393.487 3.608 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317596 909536250 /nfs/dbraw/zinc/53/62/50/909536250.db2.gz GKOXKBOCDSVBRA-UHFFFAOYSA-N -1 3 398.463 3.951 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319480 909540236 /nfs/dbraw/zinc/54/02/36/909540236.db2.gz SPOWNHRDFGNIKD-SNVBAGLBSA-N -1 3 396.274 3.840 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000636320466 909541220 /nfs/dbraw/zinc/54/12/20/909541220.db2.gz PCKUTZYHTOKMHG-UHFFFAOYSA-N -1 3 383.492 3.967 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c(F)cc(C(F)(F)F)cc1F ZINC000636321966 909543444 /nfs/dbraw/zinc/54/34/44/909543444.db2.gz YXQZVBFRDQOBJL-UHFFFAOYSA-N -1 3 387.308 3.677 20 0 GHADHM O=C(Cc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)n[n-]1)c1ccccc1 ZINC001179829769 909750802 /nfs/dbraw/zinc/75/08/02/909750802.db2.gz RDKJFOZDWCJCGI-UHFFFAOYSA-N -1 3 380.370 3.537 20 0 GHADHM CCc1ccc(F)cc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000637368165 909792626 /nfs/dbraw/zinc/79/26/26/909792626.db2.gz GCEBRJGQNSOENQ-UHFFFAOYSA-N -1 3 394.166 3.584 20 0 GHADHM COCCCOc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1OC ZINC000795327772 909886743 /nfs/dbraw/zinc/88/67/43/909886743.db2.gz BDGZASPVDIRGKH-UHFFFAOYSA-N -1 3 399.443 3.843 20 0 GHADHM COCc1nc(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n[nH]1 ZINC000268494376 909905470 /nfs/dbraw/zinc/90/54/70/909905470.db2.gz PUKGIJCHWOTFLF-QMMMGPOBSA-N -1 3 389.462 3.775 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc2sccc2nc1Cl ZINC001180226174 910023240 /nfs/dbraw/zinc/02/32/40/910023240.db2.gz NJFINLNTSONHDT-XYPYZODXSA-N -1 3 388.880 3.902 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(CC(F)(F)F)s3)cc12 ZINC000269043115 910114992 /nfs/dbraw/zinc/11/49/92/910114992.db2.gz YPERVRMBXDQYHR-UHFFFAOYSA-N -1 3 389.428 3.967 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785010 921563026 /nfs/dbraw/zinc/56/30/26/921563026.db2.gz AZOZDGXCJYUTSM-SFHVURJKSA-N -1 3 380.366 3.596 20 0 GHADHM Cn1cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(-c2cc3ccccc3o2)n1 ZINC000901790626 921567430 /nfs/dbraw/zinc/56/74/30/921567430.db2.gz YNKCJZOWNUKWKF-GOSISDBHSA-N -1 3 393.365 3.672 20 0 GHADHM O=C(OC[C@H]1CCC[C@H](O)C1)c1n[n-]c(-c2ccccc2)c1Br ZINC000795477363 910583596 /nfs/dbraw/zinc/58/35/96/910583596.db2.gz UHXSKDYPHQUKAC-AAEUAGOBSA-N -1 3 379.254 3.547 20 0 GHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639820788 910694331 /nfs/dbraw/zinc/69/43/31/910694331.db2.gz RIGGWKWAOQCVSW-LBPRGKRZSA-N -1 3 394.397 3.540 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])C1CN(c2ccc(Cl)cc2)C1 ZINC001181538175 910827513 /nfs/dbraw/zinc/82/75/13/910827513.db2.gz ZGXWOWHQCKLKEC-UHFFFAOYSA-N -1 3 381.657 3.883 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000271303743 910853313 /nfs/dbraw/zinc/85/33/13/910853313.db2.gz WSDWOTZZPVKNSW-AWEZNQCLSA-N -1 3 395.525 3.501 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C2CC(O)(c3ccccc3)C2)c([O-])c1 ZINC001181640914 910868978 /nfs/dbraw/zinc/86/89/78/910868978.db2.gz QTJMVCFOHYDAFB-UHFFFAOYSA-N -1 3 383.444 3.584 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000271424248 910899002 /nfs/dbraw/zinc/89/90/02/910899002.db2.gz VMFSQPIVPJMMHT-OAHLLOKOSA-N -1 3 380.492 3.524 20 0 GHADHM COc1cccc(Cl)c1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640302555 910960235 /nfs/dbraw/zinc/96/02/35/910960235.db2.gz RVWWVNKPNKKSEW-UHFFFAOYSA-N -1 3 397.184 3.504 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2Br)C2CC2)o1 ZINC000640307756 910961590 /nfs/dbraw/zinc/96/15/90/910961590.db2.gz HVRBMYSXDANNLY-GXFFZTMASA-N -1 3 393.285 3.517 20 0 GHADHM C[C@@H]1CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCc2ccccc21 ZINC000640304016 910961890 /nfs/dbraw/zinc/96/18/90/910961890.db2.gz XYYZREXSGWAZEI-LLVKDONJSA-N -1 3 386.805 3.714 20 0 GHADHM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N=c2[n-]n(C)cc2Br)C1 ZINC000640314130 910964848 /nfs/dbraw/zinc/96/48/48/910964848.db2.gz CODYGPKLQMGLGZ-IUODEOHRSA-N -1 3 377.286 3.610 20 0 GHADHM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NCc1ccn(-c2ccccc2)n1 ZINC000901842836 921628790 /nfs/dbraw/zinc/62/87/90/921628790.db2.gz LUBNAIBKUBKURT-XMSQKQJNSA-N -1 3 375.472 3.925 20 0 GHADHM Cc1c([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(=O)n(C2CCCCC2)n1C ZINC000640535165 911053460 /nfs/dbraw/zinc/05/34/60/911053460.db2.gz MDIIFGLDEYEZLS-UHFFFAOYSA-N -1 3 385.361 3.809 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(N(C)C(C)C)nc2)C(=O)[O-])cc1Cl ZINC000901853396 921643409 /nfs/dbraw/zinc/64/34/09/921643409.db2.gz VHMRQXRTSAMUHI-GOSISDBHSA-N -1 3 377.872 3.504 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)CCc3c(C)nc(C)[n-]c3=O)ccc2c1 ZINC000274293406 911292438 /nfs/dbraw/zinc/29/24/38/911292438.db2.gz RMUPAUGUUOZGEL-UHFFFAOYSA-N -1 3 379.460 3.552 20 0 GHADHM Cc1nnc([C@@H](C)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000283121456 911378577 /nfs/dbraw/zinc/37/85/77/911378577.db2.gz MZIIOFXSJLOPFX-SNVBAGLBSA-N -1 3 380.901 3.617 20 0 GHADHM CCCOc1ccc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)cc1OC ZINC000901871014 921665367 /nfs/dbraw/zinc/66/53/67/921665367.db2.gz KGWZWCIKRNPJSZ-UHFFFAOYSA-N -1 3 387.480 3.524 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CN1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000901871917 921667117 /nfs/dbraw/zinc/66/71/17/921667117.db2.gz UZFUMOGWLFWJOD-UHFFFAOYSA-N -1 3 393.491 3.529 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c[n-]c12 ZINC001182464614 911766523 /nfs/dbraw/zinc/76/65/23/911766523.db2.gz NLJLAJARTSQGRL-QGZVFWFLSA-N -1 3 378.428 3.647 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001182672557 911935661 /nfs/dbraw/zinc/93/56/61/911935661.db2.gz BAIUQUKQHJEOHO-UHFFFAOYSA-N -1 3 385.313 3.826 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@@H]1CCc2c([nH]c3ccccc32)C1 ZINC001182713291 911998052 /nfs/dbraw/zinc/99/80/52/911998052.db2.gz AHLLYRNIYKJVDY-LLVKDONJSA-N -1 3 382.391 3.543 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1)c1ccccc1-c1nnn[n-]1 ZINC001187008764 914937721 /nfs/dbraw/zinc/93/77/21/914937721.db2.gz QQHMHPWVUZBEON-RTWAWAEBSA-N -1 3 397.438 3.525 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1)c1ccccc1-c1nn[n-]n1 ZINC001187008764 914937732 /nfs/dbraw/zinc/93/77/32/914937732.db2.gz QQHMHPWVUZBEON-RTWAWAEBSA-N -1 3 397.438 3.525 20 0 GHADHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000646958697 914950766 /nfs/dbraw/zinc/95/07/66/914950766.db2.gz BVWSJHIVYOXELY-LBPRGKRZSA-N -1 3 384.423 3.992 20 0 GHADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)C1 ZINC001187137500 915050364 /nfs/dbraw/zinc/05/03/64/915050364.db2.gz CEERJBLWUMTLSI-WDEREUQCSA-N -1 3 394.306 3.844 20 0 GHADHM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC001187240940 915107471 /nfs/dbraw/zinc/10/74/71/915107471.db2.gz JIYUZCWNUSJCKY-LBPRGKRZSA-N -1 3 386.286 3.979 20 0 GHADHM Cc1oncc1S(=O)(=O)[N-]CCCCCOc1ccc(C(F)(F)F)cc1 ZINC001187420372 915235498 /nfs/dbraw/zinc/23/54/98/915235498.db2.gz BYLZLQMEUZFOQF-UHFFFAOYSA-N -1 3 392.399 3.529 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccc(F)cc1 ZINC001187424042 915240106 /nfs/dbraw/zinc/24/01/06/915240106.db2.gz OPOTYWJHDACUSP-MRXNPFEDSA-N -1 3 392.477 3.615 20 0 GHADHM CC(C)Oc1ccc([C@H](CNc2ncc(C(=O)[O-])cc2Cl)N(C)C)cc1 ZINC000647455320 915270500 /nfs/dbraw/zinc/27/05/00/915270500.db2.gz VZZVUAQBNCOJIF-KRWDZBQOSA-N -1 3 377.872 3.935 20 0 GHADHM O=S(=O)([N-]CCc1cc(F)ccc1F)c1c2ncsc2ccc1Cl ZINC001187657218 915414857 /nfs/dbraw/zinc/41/48/57/915414857.db2.gz FWVBKTWWZVBSGP-UHFFFAOYSA-N -1 3 388.848 3.749 20 0 GHADHM Fc1ccc(COc2cccc(CNC3(c4nn[n-]n4)CCCC3)c2)c(F)c1 ZINC000648020844 915482668 /nfs/dbraw/zinc/48/26/68/915482668.db2.gz OENYUQXKTJJUKT-UHFFFAOYSA-N -1 3 385.418 3.616 20 0 GHADHM Fc1ccc(COc2cccc(CNC3(c4nnn[n-]4)CCCC3)c2)c(F)c1 ZINC000648020844 915482672 /nfs/dbraw/zinc/48/26/72/915482672.db2.gz OENYUQXKTJJUKT-UHFFFAOYSA-N -1 3 385.418 3.616 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2)C[C@H](C)O1 ZINC000292397845 915656920 /nfs/dbraw/zinc/65/69/20/915656920.db2.gz CJYBGNWNZCRVBB-BETUJISGSA-N -1 3 388.851 3.547 20 0 GHADHM O=S(=O)([N-]CCSCc1ccc(F)cc1)c1ccc(Cl)nc1Cl ZINC001187979898 915659768 /nfs/dbraw/zinc/65/97/68/915659768.db2.gz NEMNYMSKMLOBOQ-UHFFFAOYSA-N -1 3 395.308 3.739 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC001187992779 915670295 /nfs/dbraw/zinc/67/02/95/915670295.db2.gz VHHNTWUAFLFMTB-GHMZBOCLSA-N -1 3 377.680 3.876 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc([C@H]2CCCOC2)cc1 ZINC000648431953 915699436 /nfs/dbraw/zinc/69/94/36/915699436.db2.gz KQOHXNQLQLRYTJ-ZDUSSCGKSA-N -1 3 387.789 3.667 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Cl)c(OC)c1 ZINC001188071371 915736484 /nfs/dbraw/zinc/73/64/84/915736484.db2.gz RUAIGXGMQRTPQF-UHFFFAOYSA-N -1 3 397.667 3.860 20 0 GHADHM O=S(=O)([N-]c1cc2nsnc2cc1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188076674 915739540 /nfs/dbraw/zinc/73/95/40/915739540.db2.gz JCIGYJGMJHANEZ-UHFFFAOYSA-N -1 3 395.680 3.847 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(Cl)cc21)c1cnc(Cl)c(Cl)c1 ZINC001188096982 915754268 /nfs/dbraw/zinc/75/42/68/915754268.db2.gz CDEFJZDMWBCZLJ-LBPRGKRZSA-N -1 3 393.679 3.844 20 0 GHADHM O=c1[n-]nc(SCc2cccnc2C(F)(F)F)n1CCc1ccccc1 ZINC001188154207 915785075 /nfs/dbraw/zinc/78/50/75/915785075.db2.gz FMTLWTVJRBNVMA-UHFFFAOYSA-N -1 3 380.395 3.933 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccccc1NC(=O)C1CCCCC1 ZINC001188204725 915828151 /nfs/dbraw/zinc/82/81/51/915828151.db2.gz ZZKBKUFSSUUYKB-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccccc1NC(=O)C1CCCCC1 ZINC001188204725 915828164 /nfs/dbraw/zinc/82/81/64/915828164.db2.gz ZZKBKUFSSUUYKB-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC(C)(C)C ZINC001188205039 915828456 /nfs/dbraw/zinc/82/84/56/915828456.db2.gz PUMRQXSHEQGUJN-SFHVURJKSA-N -1 3 379.522 3.650 20 0 GHADHM COC(=O)c1cccc2nc([N-]C(=O)c3ncsc3C(F)(F)F)sc21 ZINC001188206338 915828761 /nfs/dbraw/zinc/82/87/61/915828761.db2.gz DNRGDYCQISAYNW-UHFFFAOYSA-N -1 3 387.364 3.811 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2(CC(C)C)CCC2)c(C)c1Cl ZINC001188213535 915834235 /nfs/dbraw/zinc/83/42/35/915834235.db2.gz CERULYQODKDSKF-UHFFFAOYSA-N -1 3 393.958 3.991 20 0 GHADHM CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc(Br)c1OC ZINC000902006498 921808053 /nfs/dbraw/zinc/80/80/53/921808053.db2.gz GBLDVTQJUFLVTK-HEHGZKQESA-N -1 3 398.297 3.542 20 0 GHADHM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c1F ZINC001188453934 915978934 /nfs/dbraw/zinc/97/89/34/915978934.db2.gz ZVXAKXHCPZRPKL-UHFFFAOYSA-N -1 3 388.395 3.532 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)C(=O)N2 ZINC001188453884 915979487 /nfs/dbraw/zinc/97/94/87/915979487.db2.gz YOESDSJZDFLREV-HXUWFJFHSA-N -1 3 396.443 3.773 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1COC2(CCCCCC2)O1 ZINC001188689757 916113618 /nfs/dbraw/zinc/11/36/18/916113618.db2.gz PWDNJKIUUMRNKY-HNNXBMFYSA-N -1 3 397.468 3.625 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1cc(Cl)ccc1C)OCC ZINC001188702295 916124422 /nfs/dbraw/zinc/12/44/22/916124422.db2.gz IASLNXCXYXPBLC-UHFFFAOYSA-N -1 3 394.859 3.730 20 0 GHADHM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098066341 916148084 /nfs/dbraw/zinc/14/80/84/916148084.db2.gz IWSVXOOQPOVJJP-UHFFFAOYSA-N -1 3 395.352 3.848 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])Nc1cc(F)cc2c1OCOC2 ZINC001188867380 916241368 /nfs/dbraw/zinc/24/13/68/916241368.db2.gz SFIFAWFCZXRTIE-UHFFFAOYSA-N -1 3 383.173 3.804 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)n1 ZINC001189310967 916542018 /nfs/dbraw/zinc/54/20/18/916542018.db2.gz OEGATJBGHSDXGS-UHFFFAOYSA-N -1 3 390.321 3.949 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1N1CCCCC1=O ZINC001189316954 916547389 /nfs/dbraw/zinc/54/73/89/916547389.db2.gz VWUOTLGGEYFTPS-UHFFFAOYSA-N -1 3 394.443 3.732 20 0 GHADHM CC(C)CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(F)c1)C(=O)OC(C)(C)C ZINC001189336630 916565793 /nfs/dbraw/zinc/56/57/93/916565793.db2.gz LGVVGYKJQGYFPL-INIZCTEOSA-N -1 3 391.480 3.531 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCCC1 ZINC001189418672 916622330 /nfs/dbraw/zinc/62/23/30/916622330.db2.gz JEPJGLJVJQLUTK-UHFFFAOYSA-N -1 3 396.734 3.730 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(Cl)c(OC)c1 ZINC001189456181 916662488 /nfs/dbraw/zinc/66/24/88/916662488.db2.gz QRULORKKDTWDJJ-UHFFFAOYSA-N -1 3 377.796 3.577 20 0 GHADHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001189456591 916662821 /nfs/dbraw/zinc/66/28/21/916662821.db2.gz NCOCJEQMRMGJDG-HNNXBMFYSA-N -1 3 399.969 3.615 20 0 GHADHM CN(Cc1ncccc1C(F)(F)F)C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189755055 916881121 /nfs/dbraw/zinc/88/11/21/916881121.db2.gz IVXWWMOOXZISKU-UHFFFAOYSA-N -1 3 394.271 3.977 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1F ZINC001189762924 916898381 /nfs/dbraw/zinc/89/83/81/916898381.db2.gz LJAOGXKXHZXYHD-GXTWGEPZSA-N -1 3 388.233 3.562 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1F)c1cc(Br)ccc1Cl ZINC001189766416 916901642 /nfs/dbraw/zinc/90/16/42/916901642.db2.gz ZMLVASVRTINHBF-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(OC(F)(F)F)cc1F ZINC001189827658 916952261 /nfs/dbraw/zinc/95/22/61/916952261.db2.gz TYEVBZZUUZFZSI-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2N(C)CCCC2(C)C)c1Cl ZINC001189996559 917052752 /nfs/dbraw/zinc/05/27/52/917052752.db2.gz AWZUZPRYERWEEY-CYBMUJFWSA-N -1 3 379.353 3.701 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)NCc1ccc(Cl)cc1Cl ZINC001190098707 917095074 /nfs/dbraw/zinc/09/50/74/917095074.db2.gz RGSPKPJMTADHCC-UHFFFAOYSA-N -1 3 387.194 3.946 20 0 GHADHM CCCc1nnsc1C(=O)[N-]c1onc(C(=O)OCC)c1-c1ccccc1 ZINC001190161134 917161276 /nfs/dbraw/zinc/16/12/76/917161276.db2.gz LFDBZOJUMAWBOR-UHFFFAOYSA-N -1 3 386.433 3.575 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001190438593 917339559 /nfs/dbraw/zinc/33/95/59/917339559.db2.gz QYNCYZFYMJKICV-UHFFFAOYSA-N -1 3 391.305 3.916 20 0 GHADHM Cn1nc(C(F)(F)F)c(C(=O)Nc2cc(Br)ccc2[O-])c1Cl ZINC001190536263 917394894 /nfs/dbraw/zinc/39/48/94/917394894.db2.gz RWBCMPHPRSNBDK-UHFFFAOYSA-N -1 3 398.566 3.813 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCCc2ccccc21 ZINC001190608800 917446210 /nfs/dbraw/zinc/44/62/10/917446210.db2.gz BZOSPXLTNUVXEZ-QGZVFWFLSA-N -1 3 393.892 3.873 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1ccc(C(F)(F)F)cc1F ZINC001190637870 917468166 /nfs/dbraw/zinc/46/81/66/917468166.db2.gz PHSKFKWBTGNZQM-JTQLQIEISA-N -1 3 375.334 3.948 20 0 GHADHM CCOc1c(F)cc(C(=O)Nc2cc(F)c([O-])cc2C(=O)OC)cc1Cl ZINC001190748015 917542824 /nfs/dbraw/zinc/54/28/24/917542824.db2.gz GVTSRLQNENKCRA-UHFFFAOYSA-N -1 3 385.750 3.761 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)Nc2cc(Br)ccc2Cl)on1 ZINC001190859552 917614147 /nfs/dbraw/zinc/61/41/47/917614147.db2.gz IJYGXFSNZFSPQT-UHFFFAOYSA-N -1 3 388.605 3.911 20 0 GHADHM CN(C)[C@H](CNC(=O)c1ccc(=O)[n-]c1Cl)c1ccc(Cl)cc1Cl ZINC001190918778 917662113 /nfs/dbraw/zinc/66/21/13/917662113.db2.gz WOVARYDBFJHMQK-CYBMUJFWSA-N -1 3 388.682 3.780 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1nc(-c2ccccc2)cs1 ZINC001191040138 917710147 /nfs/dbraw/zinc/71/01/47/917710147.db2.gz RVDPEXAZHMGPFG-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C([N-]c1noc2nccnc12)c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1 ZINC001191268779 917881700 /nfs/dbraw/zinc/88/17/00/917881700.db2.gz HLVYUCYJEWEBEQ-UHFFFAOYSA-N -1 3 393.165 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000652713564 917989077 /nfs/dbraw/zinc/98/90/77/917989077.db2.gz RHFQOZWRDQPDSL-KZNAEPCWSA-N -1 3 389.499 3.652 20 0 GHADHM CC(=O)CCCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001191811085 918206624 /nfs/dbraw/zinc/20/66/24/918206624.db2.gz ULHKZQDAXDSIAY-UHFFFAOYSA-N -1 3 386.823 3.572 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)nc(Cl)nc1Cl ZINC001191787126 918219756 /nfs/dbraw/zinc/21/97/56/918219756.db2.gz FDUCDRKINMOYDS-UHFFFAOYSA-N -1 3 376.265 3.600 20 0 GHADHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC001191865356 918249395 /nfs/dbraw/zinc/24/93/95/918249395.db2.gz SPUTVPWUUZVUDR-CYBMUJFWSA-N -1 3 382.309 3.638 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3NC(=O)OC)c2)n1 ZINC000363530105 918374363 /nfs/dbraw/zinc/37/43/63/918374363.db2.gz MBMCPCLZNNXQOY-UHFFFAOYSA-N -1 3 392.415 3.842 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1 ZINC000380494257 919304164 /nfs/dbraw/zinc/30/41/64/919304164.db2.gz NATLOIGQJDVGHI-UHFFFAOYSA-N -1 3 375.675 3.861 20 0 GHADHM CCCCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013785064 919328548 /nfs/dbraw/zinc/32/85/48/919328548.db2.gz OYIFZBHBMDQBII-UHFFFAOYSA-N -1 3 377.535 3.882 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NCC(C)C)cc2)cc1 ZINC000013785070 919328702 /nfs/dbraw/zinc/32/87/02/919328702.db2.gz FWVJKKZFENRWEP-UHFFFAOYSA-N -1 3 377.535 3.738 20 0 GHADHM CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000115646995 919464135 /nfs/dbraw/zinc/46/41/35/919464135.db2.gz UQDIFGXPPHMJOY-HOCLYGCPSA-N -1 3 381.432 3.873 20 0 GHADHM CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000115646995 919464162 /nfs/dbraw/zinc/46/41/62/919464162.db2.gz UQDIFGXPPHMJOY-HOCLYGCPSA-N -1 3 381.432 3.873 20 0 GHADHM Cc1c(Cl)ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1Cl ZINC000900033004 919764696 /nfs/dbraw/zinc/76/46/96/919764696.db2.gz KWYITWUHVFABFW-LLVKDONJSA-N -1 3 396.196 3.760 20 0 GHADHM COc1cc2c(cc1CNCCc1cc3ccc(C(=O)[O-])cc3o1)O[C@@H](C)C2 ZINC000900073233 919803444 /nfs/dbraw/zinc/80/34/44/919803444.db2.gz GFDJVVRTGLLEJT-ZDUSSCGKSA-N -1 3 381.428 3.795 20 0 GHADHM COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)N2CCCC2)cc1 ZINC000298090056 920195817 /nfs/dbraw/zinc/19/58/17/920195817.db2.gz PEYPVOGODGRHDQ-OAQYLSRUSA-N -1 3 391.471 3.516 20 0 GHADHM CCOc1cc(CNc2ccc(N3CCCS3(=O)=O)cc2)cc(Cl)c1[O-] ZINC000298726250 920856544 /nfs/dbraw/zinc/85/65/44/920856544.db2.gz UXACNFGNHZSASR-UHFFFAOYSA-N -1 3 396.896 3.596 20 0 GHADHM C[C@@H](Oc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000902090505 921870083 /nfs/dbraw/zinc/87/00/83/921870083.db2.gz ICKMWRSCCGPWNB-CYBMUJFWSA-N -1 3 383.366 3.769 20 0 GHADHM Cc1cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C)c1OCC(=O)[O-] ZINC000902227335 922008345 /nfs/dbraw/zinc/00/83/45/922008345.db2.gz RHAMMPVEGTYCCR-OAHLLOKOSA-N -1 3 382.460 3.502 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000902239666 922023694 /nfs/dbraw/zinc/02/36/94/922023694.db2.gz NKBAFQYDSGSWNH-UHFFFAOYSA-N -1 3 377.529 3.534 20 0 GHADHM CC(C)(C)[S@](=O)CCNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000902255606 922035139 /nfs/dbraw/zinc/03/51/39/922035139.db2.gz NVJVVZAHHHNKML-HHHXNRCGSA-N -1 3 389.517 3.601 20 0 GHADHM Cc1cc(Br)c(OCC(=O)[O-])c(CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000902531712 922259468 /nfs/dbraw/zinc/25/94/68/922259468.db2.gz IMHJNVILTDMHFW-BBRMVZONSA-N -1 3 382.298 3.985 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCCCCF ZINC000803487022 923034695 /nfs/dbraw/zinc/03/46/95/923034695.db2.gz XGSROKMGKZNZSM-UHFFFAOYSA-N -1 3 383.416 3.841 20 0 GHADHM CSc1ccc(Oc2ccc(F)cc2CN(C)C[C@@](C)(O)C(=O)[O-])cc1 ZINC000903606510 923121855 /nfs/dbraw/zinc/12/18/55/923121855.db2.gz BOVXOKYAXATLDP-LJQANCHMSA-N -1 3 379.453 3.607 20 0 GHADHM C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000903611470 923126530 /nfs/dbraw/zinc/12/65/30/923126530.db2.gz NZZRLGVKMDULAQ-UHYGZKCKSA-N -1 3 375.856 3.562 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1Br)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903626380 923136274 /nfs/dbraw/zinc/13/62/74/923136274.db2.gz AGCFWVORPJWDIL-DGCLKSJQSA-N -1 3 396.178 3.941 20 0 GHADHM O=S(=O)([N-]c1c(Br)cnn1C1CC1)c1ccc(C2CC2)cc1 ZINC000903673381 923182747 /nfs/dbraw/zinc/18/27/47/923182747.db2.gz PMFQRUJRLSJFJQ-UHFFFAOYSA-N -1 3 382.283 3.659 20 0 GHADHM O=C([O-])[C@H](CNCc1ncc(Br)cc1Cl)Cc1ccccc1 ZINC000903992295 923454468 /nfs/dbraw/zinc/45/44/68/923454468.db2.gz ZKZJSSHTVDUVBG-LBPRGKRZSA-N -1 3 383.673 3.531 20 0 GHADHM CC[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)Oc1ccccc1Cl ZINC000748763862 923818682 /nfs/dbraw/zinc/81/86/82/923818682.db2.gz CQNYMVNSGNEIGQ-ZDUSSCGKSA-N -1 3 377.872 3.855 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c(C)c1 ZINC000749155643 924052626 /nfs/dbraw/zinc/05/26/26/924052626.db2.gz YTGNUBQXISOKJJ-UHFFFAOYSA-N -1 3 388.489 3.711 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000676863656 924116376 /nfs/dbraw/zinc/11/63/76/924116376.db2.gz FWIHTGMNEGPMLY-GFCCVEGCSA-N -1 3 394.345 3.992 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000826765431 924185456 /nfs/dbraw/zinc/18/54/56/924185456.db2.gz BLQROWUXZVPWKV-UHFFFAOYSA-N -1 3 380.510 3.586 20 0 GHADHM COc1ccc(OCCS(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000677235145 924294412 /nfs/dbraw/zinc/29/44/12/924294412.db2.gz NFXVXUYHYKMKFC-UHFFFAOYSA-N -1 3 384.457 3.578 20 0 GHADHM O=C(CCCc1ccc(C2CC2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001137345774 924892334 /nfs/dbraw/zinc/89/23/34/924892334.db2.gz WVMDLJOHRACBOV-UHFFFAOYSA-N -1 3 392.499 3.577 20 0 GHADHM Cc1ccc(F)cc1-c1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000371908729 924973934 /nfs/dbraw/zinc/97/39/34/924973934.db2.gz GUYHLAJGLMYLGK-UHFFFAOYSA-N -1 3 377.379 3.641 20 0 GHADHM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000827278871 925191196 /nfs/dbraw/zinc/19/11/96/925191196.db2.gz MYFPESBJRRWTRP-HDJSIYSDSA-N -1 3 392.446 3.910 20 0 GHADHM CCCCC[C@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)C(C)C ZINC000373070449 925841998 /nfs/dbraw/zinc/84/19/98/925841998.db2.gz NWWHLPNRPXNPNW-INIZCTEOSA-N -1 3 378.517 3.540 20 0 GHADHM CCCCC[C@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)C(C)C ZINC000373070449 925842001 /nfs/dbraw/zinc/84/20/01/925842001.db2.gz NWWHLPNRPXNPNW-INIZCTEOSA-N -1 3 378.517 3.540 20 0 GHADHM CCCCC[C@@](C)(CC)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000373073113 925844242 /nfs/dbraw/zinc/84/42/42/925844242.db2.gz BEVOLHAFKAPSEU-HXUWFJFHSA-N -1 3 378.517 3.684 20 0 GHADHM CCCCC[C@@](C)(CC)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000373073113 925844248 /nfs/dbraw/zinc/84/42/48/925844248.db2.gz BEVOLHAFKAPSEU-HXUWFJFHSA-N -1 3 378.517 3.684 20 0 GHADHM CCC1(C(=O)[N-]OCc2ccc(F)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC000373242912 925961649 /nfs/dbraw/zinc/96/16/49/925961649.db2.gz HQJUVPJTQFPIMH-UHFFFAOYSA-N -1 3 384.451 3.706 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000373446669 926136547 /nfs/dbraw/zinc/13/65/47/926136547.db2.gz YKQLYDIPXDYWDC-UHFFFAOYSA-N -1 3 392.430 3.673 20 0 GHADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000682707172 926213851 /nfs/dbraw/zinc/21/38/51/926213851.db2.gz HERWKMOIIJIGTL-UHFFFAOYSA-N -1 3 383.473 3.820 20 0 GHADHM O=C1N(CC(F)F)CC[C@@]12CCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276173249 926586290 /nfs/dbraw/zinc/58/62/90/926586290.db2.gz VDWXWDGDEBQBSL-INIZCTEOSA-N -1 3 379.234 3.531 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)N[C@H](C)c2cccs2)cc1OC ZINC000726471504 926690945 /nfs/dbraw/zinc/69/09/45/926690945.db2.gz OLDQTEBBIJXBBZ-LLVKDONJSA-N -1 3 399.563 3.566 20 0 GHADHM COc1cccc(C2(F)CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)c1 ZINC000374058009 926708908 /nfs/dbraw/zinc/70/89/08/926708908.db2.gz OCNWJTPBRHNXAC-UHFFFAOYSA-N -1 3 389.423 3.519 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccc(OC)nc3)c2)n1 ZINC000726901478 926916331 /nfs/dbraw/zinc/91/63/31/926916331.db2.gz PMBINAPBXFOBQG-UHFFFAOYSA-N -1 3 381.461 3.624 20 0 GHADHM CC(C)[C@H](CCN(C)C(=O)NCc1ccc([O-])c(F)c1)NC(=O)OC(C)(C)C ZINC000749572264 927193902 /nfs/dbraw/zinc/19/39/02/927193902.db2.gz CFGWUQIOYVUJJF-INIZCTEOSA-N -1 3 397.491 3.612 20 0 GHADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000749792379 927272784 /nfs/dbraw/zinc/27/27/84/927272784.db2.gz NPNRKAMFJQFRLU-ZDUSSCGKSA-N -1 3 380.366 3.631 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1[O-] ZINC000412339399 927351608 /nfs/dbraw/zinc/35/16/08/927351608.db2.gz UWJUJUUYAHXDHH-UHFFFAOYSA-N -1 3 381.350 3.808 20 0 GHADHM O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(-c2ccco2)[n-]n1 ZINC000750124822 927442582 /nfs/dbraw/zinc/44/25/82/927442582.db2.gz QWKKWKJKNFUPAU-UHFFFAOYSA-N -1 3 377.187 3.981 20 0 GHADHM O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(-c2ccco2)n[n-]1 ZINC000750124822 927442588 /nfs/dbraw/zinc/44/25/88/927442588.db2.gz QWKKWKJKNFUPAU-UHFFFAOYSA-N -1 3 377.187 3.981 20 0 GHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCCC1 ZINC000751003147 927975892 /nfs/dbraw/zinc/97/58/92/927975892.db2.gz BHUOCERUNMKNIF-MRXNPFEDSA-N -1 3 394.518 3.530 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)nn1 ZINC000413324469 928439441 /nfs/dbraw/zinc/43/94/41/928439441.db2.gz JNCBFHFTMWLGSH-UHFFFAOYSA-N -1 3 396.472 3.575 20 0 GHADHM COCCOCc1nc(=O)c2c(-c3ccc(Br)cc3)csc2[n-]1 ZINC000467092150 928688507 /nfs/dbraw/zinc/68/85/07/928688507.db2.gz CBPOBXUAZMAWNJ-UHFFFAOYSA-N -1 3 395.278 3.989 20 0 GHADHM Cc1ncc(CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c(=O)[n-]1 ZINC000544264644 928997818 /nfs/dbraw/zinc/99/78/18/928997818.db2.gz ZLIQNLBHKIZCTE-GOSISDBHSA-N -1 3 383.448 3.780 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c(=O)[n-]1 ZINC000544298458 929031007 /nfs/dbraw/zinc/03/10/07/929031007.db2.gz VGDFFOWLZXRLBJ-GFCCVEGCSA-N -1 3 396.310 3.529 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000544508053 929240900 /nfs/dbraw/zinc/24/09/00/929240900.db2.gz FFBVJLQOJJKARP-AXHNFQJDSA-N -1 3 397.475 3.982 20 0 GHADHM Cc1nc(C)c(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)nc1C ZINC000467640128 929264156 /nfs/dbraw/zinc/26/41/56/929264156.db2.gz YSJJKDFDLMWZPI-UHFFFAOYSA-N -1 3 376.247 3.773 20 0 GHADHM O=C(CS(=O)(=O)c1cccc([O-])c1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000544596267 929321541 /nfs/dbraw/zinc/32/15/41/929321541.db2.gz UIRDIZAXOXNLSZ-OAQYLSRUSA-N -1 3 387.501 3.604 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(c3)ncn4C)nc(=O)c2c1C ZINC000753462089 929356679 /nfs/dbraw/zinc/35/66/79/929356679.db2.gz MGTZNXIWWDVQLX-JTQLQIEISA-N -1 3 382.445 3.818 20 0 GHADHM COC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1F ZINC000753476489 929366078 /nfs/dbraw/zinc/36/60/78/929366078.db2.gz PNSBPOISFNMZNG-UHFFFAOYSA-N -1 3 387.342 3.545 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1noc(Cc2ccccc2)n1 ZINC000469148453 929631943 /nfs/dbraw/zinc/63/19/43/929631943.db2.gz FSPYSVLFGYRPSH-AWEZNQCLSA-N -1 3 383.423 3.705 20 0 GHADHM O=C(COC(=O)c1n[n-]c(-c2ccccc2)c1Br)C1CCCC1 ZINC000757728530 929784531 /nfs/dbraw/zinc/78/45/31/929784531.db2.gz MZSGIBNMAWBFSE-UHFFFAOYSA-N -1 3 377.238 3.755 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1Oc1ccccc1 ZINC000469640754 930050350 /nfs/dbraw/zinc/05/03/50/930050350.db2.gz VBVNKUCVFGBORJ-UZKOGDIHSA-N -1 3 387.451 3.595 20 0 GHADHM COCc1nc(C)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000758818458 930179113 /nfs/dbraw/zinc/17/91/13/930179113.db2.gz AIFRLHVVXAQKKU-SECBINFHSA-N -1 3 393.490 3.843 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000759319158 930340526 /nfs/dbraw/zinc/34/05/26/930340526.db2.gz KIHNQRBORUOJIO-VIFPVBQESA-N -1 3 389.807 3.908 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000759698326 930457428 /nfs/dbraw/zinc/45/74/28/930457428.db2.gz SBYOYMRRWPUCSZ-WQRHYEAKSA-N -1 3 393.830 3.850 20 0 GHADHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780390055 930504000 /nfs/dbraw/zinc/50/40/00/930504000.db2.gz ZWZWHOAAWOCOTL-ZDUSSCGKSA-N -1 3 382.432 3.650 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC(F)F)c(OC)c2)[n-]c1=O ZINC000470292560 930512669 /nfs/dbraw/zinc/51/26/69/930512669.db2.gz KIYPPXTUKGPFFG-YFHOEESVSA-N -1 3 380.347 3.529 20 0 GHADHM O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000780983682 930661718 /nfs/dbraw/zinc/66/17/18/930661718.db2.gz GEGBZQGQAZPAIT-JOCHJYFZSA-N -1 3 395.430 3.850 20 0 GHADHM COc1ccccc1CCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000781117938 930705679 /nfs/dbraw/zinc/70/56/79/930705679.db2.gz CSNIHAXENKJCFT-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM Cc1ccn2ncc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4F)s3)c2n1 ZINC000470630326 930766334 /nfs/dbraw/zinc/76/63/34/930766334.db2.gz ZJGWGBAZTTZHCC-UHFFFAOYSA-N -1 3 388.815 3.601 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nc([C@H]3CCCO3)no2)cc1 ZINC000547181767 930772239 /nfs/dbraw/zinc/77/22/39/930772239.db2.gz XKZKJYBXGRYVSL-MRXNPFEDSA-N -1 3 389.408 3.528 20 0 GHADHM COc1cc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cc(OC)c1[O-] ZINC000547270215 930866801 /nfs/dbraw/zinc/86/68/01/930866801.db2.gz POXZQCRHOALQLS-JKSUJKDBSA-N -1 3 375.465 3.554 20 0 GHADHM Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000781538545 930880986 /nfs/dbraw/zinc/88/09/86/930880986.db2.gz UBZZXMVKFBKJNJ-UHFFFAOYSA-N -1 3 389.452 3.554 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782628938 931286397 /nfs/dbraw/zinc/28/63/97/931286397.db2.gz PLSPFIXJOGXUBT-UHFFFAOYSA-N -1 3 379.347 3.795 20 0 GHADHM O=C(CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)[N-]OCc1ccccc1 ZINC000783005032 931383913 /nfs/dbraw/zinc/38/39/13/931383913.db2.gz UPGZMYAWXAVCON-OAQYLSRUSA-N -1 3 395.890 3.856 20 0 GHADHM O=C(CCCCCc1ccc(O)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783480769 931559107 /nfs/dbraw/zinc/55/91/07/931559107.db2.gz MFFRKAKKFWUGQH-UHFFFAOYSA-N -1 3 382.416 3.994 20 0 GHADHM O=C(Cc1ccccc1C(F)(F)F)OCc1noc(-c2ccccc2[O-])n1 ZINC000783505025 931566036 /nfs/dbraw/zinc/56/60/36/931566036.db2.gz XIYJRGHMQQSIBV-UHFFFAOYSA-N -1 3 378.306 3.747 20 0 GHADHM Cc1cc(Cl)ncc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000783839730 931686016 /nfs/dbraw/zinc/68/60/16/931686016.db2.gz QDQINMANVHHLQL-UHFFFAOYSA-N -1 3 381.816 3.779 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000697592006 931686863 /nfs/dbraw/zinc/68/68/63/931686863.db2.gz NXWOIUYUFUGQHZ-GFCCVEGCSA-N -1 3 392.887 3.711 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2-c2nnnn2C(C)C)cc1 ZINC000783877032 931701359 /nfs/dbraw/zinc/70/13/59/931701359.db2.gz OLBPPGBUWJJXTK-SEYXRHQNSA-N -1 3 383.477 3.642 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(C(F)(F)F)ccc1F ZINC000784136641 931794543 /nfs/dbraw/zinc/79/45/43/931794543.db2.gz FMBVWFPMUFMSLW-UHFFFAOYSA-N -1 3 382.269 3.957 20 0 GHADHM O=C(CCCOc1ccc2c(c1)CCC2)OCc1noc(-c2ccccc2[O-])n1 ZINC000784196090 931812827 /nfs/dbraw/zinc/81/28/27/931812827.db2.gz SQKKMOYGSHBMFT-UHFFFAOYSA-N -1 3 394.427 3.833 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCOc2ccccc2Br)c1[O-] ZINC000558061544 931821826 /nfs/dbraw/zinc/82/18/26/931821826.db2.gz PZVSHQALUOPRDM-UHFFFAOYSA-N -1 3 378.222 3.765 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000558468182 932019549 /nfs/dbraw/zinc/01/95/49/932019549.db2.gz MILJYWFSTRZCKR-AWEZNQCLSA-N -1 3 377.473 3.777 20 0 GHADHM CS[C@H](C)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000797195580 932219917 /nfs/dbraw/zinc/21/99/17/932219917.db2.gz KNTVPMUVOLBDDR-CHWSQXEVSA-N -1 3 397.493 3.923 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1 ZINC000777667936 932782663 /nfs/dbraw/zinc/78/26/63/932782663.db2.gz MDJVRNLKFAJJPF-UHFFFAOYSA-N -1 3 395.456 3.649 20 0 GHADHM CC[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(C)cc1 ZINC000799021661 932853448 /nfs/dbraw/zinc/85/34/48/932853448.db2.gz KJWBDYYKVLCAKT-MRXNPFEDSA-N -1 3 384.442 3.796 20 0 GHADHM O=C([N-]CC1CCN(CCc2cccc(Cl)c2Cl)CC1)C(F)(F)F ZINC000799172815 932897269 /nfs/dbraw/zinc/89/72/69/932897269.db2.gz BPABZUJVGJVELT-UHFFFAOYSA-N -1 3 383.241 3.926 20 0 GHADHM CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000928392814 932964158 /nfs/dbraw/zinc/96/41/58/932964158.db2.gz ABNKYOBQOKCZRO-CYBMUJFWSA-N -1 3 391.393 3.885 20 0 GHADHM O=C([N-][C@@H](c1ncccn1)C1CC1)C(F)(F)c1ccc(Br)cc1 ZINC000928573752 933024654 /nfs/dbraw/zinc/02/46/54/933024654.db2.gz GENIZVOOPXLQFS-CYBMUJFWSA-N -1 3 382.208 3.598 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccnc2OCc2ccccc2F)c1[O-] ZINC000560550778 933335033 /nfs/dbraw/zinc/33/50/33/933335033.db2.gz NULLDDOXVULWNP-UHFFFAOYSA-N -1 3 380.375 3.960 20 0 GHADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000560551648 933336596 /nfs/dbraw/zinc/33/65/96/933336596.db2.gz CAGPPWKPPVAOFG-LBPRGKRZSA-N -1 3 386.249 3.667 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000560551647 933337164 /nfs/dbraw/zinc/33/71/64/933337164.db2.gz CAGPPWKPPVAOFG-GFCCVEGCSA-N -1 3 386.249 3.667 20 0 GHADHM O=C(Nc1ccccc1SC1CCCC1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929584967 933525536 /nfs/dbraw/zinc/52/55/36/933525536.db2.gz DVOQXBHMIFUQAY-AWEZNQCLSA-N -1 3 399.520 3.617 20 0 GHADHM CCCO[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(F)cc1C ZINC000929762184 933619766 /nfs/dbraw/zinc/61/97/66/933619766.db2.gz DXQRWYWPWFRWEC-GOSISDBHSA-N -1 3 394.468 3.612 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)sc1Cl ZINC001116738845 933729056 /nfs/dbraw/zinc/72/90/56/933729056.db2.gz OKVGAKRCJOCORT-ZFWWWQNUSA-N -1 3 388.917 3.573 20 0 GHADHM CC[C@@]1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC001118280722 934126923 /nfs/dbraw/zinc/12/69/23/934126923.db2.gz QTOSCISRCKSLCW-HXUWFJFHSA-N -1 3 376.453 3.571 20 0 GHADHM COCC(C)(C)CCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000561548984 934261019 /nfs/dbraw/zinc/26/10/19/934261019.db2.gz UVNUJASIMXQMCY-UHFFFAOYSA-N -1 3 384.361 3.550 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001119994156 934432312 /nfs/dbraw/zinc/43/23/12/934432312.db2.gz XEPBDCKCMMGGGF-CQSZACIVSA-N -1 3 393.409 3.635 20 0 GHADHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(C(F)(F)F)CC1 ZINC001121338775 934631876 /nfs/dbraw/zinc/63/18/76/934631876.db2.gz BCDGHAKTLXVAEX-UHFFFAOYSA-N -1 3 388.821 3.738 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1-n1cccn1 ZINC000778025684 934713550 /nfs/dbraw/zinc/71/35/50/934713550.db2.gz ZKGPSBXBLMVRED-NSHDSACASA-N -1 3 397.287 3.614 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC001123604539 935235292 /nfs/dbraw/zinc/23/52/92/935235292.db2.gz NEYBHZZREOLCFR-UHFFFAOYSA-N -1 3 394.471 3.817 20 0 GHADHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1 ZINC001124790715 935467806 /nfs/dbraw/zinc/46/78/06/935467806.db2.gz FDDCBUPQSKQEBS-UHFFFAOYSA-N -1 3 398.356 3.599 20 0 GHADHM CCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCC1 ZINC001137546172 935575830 /nfs/dbraw/zinc/57/58/30/935575830.db2.gz MJBNGYMFSMMHGM-QGZVFWFLSA-N -1 3 384.517 3.601 20 0 GHADHM O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)c(Cl)[n-]1 ZINC000828635202 935680952 /nfs/dbraw/zinc/68/09/52/935680952.db2.gz BDRRKQCHMWKWMX-UHFFFAOYSA-N -1 3 384.187 3.675 20 0 GHADHM CN1C(=O)CS/C1=C/C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001137670105 935692913 /nfs/dbraw/zinc/69/29/13/935692913.db2.gz XYQWHQREFYKONY-GIJQJNRQSA-N -1 3 397.481 3.654 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1Cc2ccccc2OC2(CCC2)C1 ZINC000829803128 935864904 /nfs/dbraw/zinc/86/49/04/935864904.db2.gz JSZBMMZRJSNDEK-UHFFFAOYSA-N -1 3 396.393 3.764 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1OC(C)C ZINC000829911346 935881679 /nfs/dbraw/zinc/88/16/79/935881679.db2.gz WDNSXNLUSIQNEY-UHFFFAOYSA-N -1 3 377.462 3.824 20 0 GHADHM COc1ccccc1[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000830138387 935905545 /nfs/dbraw/zinc/90/55/45/935905545.db2.gz AEGCJVBAPWYJOA-INIZCTEOSA-N -1 3 376.456 3.947 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001138017193 935929864 /nfs/dbraw/zinc/92/98/64/935929864.db2.gz AWIJWAXWIGVDBF-CYBMUJFWSA-N -1 3 399.285 3.787 20 0 GHADHM Cc1ccc([C@H](CNC(=O)NC2(C(=O)[O-])CCCCCC2)N2CCCC2)cc1 ZINC000908898245 939347340 /nfs/dbraw/zinc/34/73/40/939347340.db2.gz FINLPDJTCXWWBP-IBGZPJMESA-N -1 3 387.524 3.609 20 0 GHADHM CC(=O)c1ccc2nc(NC(=O)c3cc(C)c(-c4nnn[n-]4)c(C)c3)sc2c1 ZINC001573555891 946920112 /nfs/dbraw/zinc/92/01/12/946920112.db2.gz TWVKTFNCFIMAOO-UHFFFAOYSA-N -1 3 392.444 3.548 20 0 GHADHM CC(=O)c1ccc2nc(NC(=O)c3cc(C)c(-c4nn[n-]n4)c(C)c3)sc2c1 ZINC001573555891 946920121 /nfs/dbraw/zinc/92/01/21/946920121.db2.gz TWVKTFNCFIMAOO-UHFFFAOYSA-N -1 3 392.444 3.548 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1coc(-c2ccc(F)c(F)c2)n1 ZINC001573556177 946923707 /nfs/dbraw/zinc/92/37/07/946923707.db2.gz ZTRXDJKGPPJVLK-UHFFFAOYSA-N -1 3 397.341 3.582 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1coc(-c2ccc(F)c(F)c2)n1 ZINC001573556177 946923711 /nfs/dbraw/zinc/92/37/11/946923711.db2.gz ZTRXDJKGPPJVLK-UHFFFAOYSA-N -1 3 397.341 3.582 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)c(F)cc1Br ZINC001290404295 948498366 /nfs/dbraw/zinc/49/83/66/948498366.db2.gz CSUURXVWWVUXCT-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)c(F)cc1Br ZINC001290404295 948498368 /nfs/dbraw/zinc/49/83/68/948498368.db2.gz CSUURXVWWVUXCT-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528093624 948541634 /nfs/dbraw/zinc/54/16/34/948541634.db2.gz NNHJFVXTUVDFJI-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528093624 948541639 /nfs/dbraw/zinc/54/16/39/948541639.db2.gz NNHJFVXTUVDFJI-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM CC(C)c1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001574418607 948781036 /nfs/dbraw/zinc/78/10/36/948781036.db2.gz YZHXSXVRFAGPBT-UHFFFAOYSA-N -1 3 380.452 3.573 20 0 GHADHM CC(C)c1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001574418607 948781045 /nfs/dbraw/zinc/78/10/45/948781045.db2.gz YZHXSXVRFAGPBT-UHFFFAOYSA-N -1 3 380.452 3.573 20 0 GHADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001573756216 948802937 /nfs/dbraw/zinc/80/29/37/948802937.db2.gz OEVTUAOKHFDILO-CYBMUJFWSA-N -1 3 392.488 3.540 20 0 GHADHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001573756216 948802959 /nfs/dbraw/zinc/80/29/59/948802959.db2.gz OEVTUAOKHFDILO-CYBMUJFWSA-N -1 3 392.488 3.540 20 0 GHADHM C[C@@H](C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC001573756470 948818005 /nfs/dbraw/zinc/81/80/05/948818005.db2.gz SIMNBRMBXVFPKO-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC001573756470 948818022 /nfs/dbraw/zinc/81/80/22/948818022.db2.gz SIMNBRMBXVFPKO-SECBINFHSA-N -1 3 390.216 3.511 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cn(C)c2ccccc12 ZINC001573756888 948823213 /nfs/dbraw/zinc/82/32/13/948823213.db2.gz VHSVETBMIXAHDW-LLVKDONJSA-N -1 3 380.839 3.754 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cn(C)c2ccccc12 ZINC001573756888 948823233 /nfs/dbraw/zinc/82/32/33/948823233.db2.gz VHSVETBMIXAHDW-LLVKDONJSA-N -1 3 380.839 3.754 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001575503503 949047342 /nfs/dbraw/zinc/04/73/42/949047342.db2.gz QGGZNPVMJITBGZ-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001575503503 949047362 /nfs/dbraw/zinc/04/73/62/949047362.db2.gz QGGZNPVMJITBGZ-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001574092693 949074914 /nfs/dbraw/zinc/07/49/14/949074914.db2.gz SHGBPMWFNANXOU-SJORKVTESA-N -1 3 378.432 3.994 20 0 GHADHM CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001574092693 949074933 /nfs/dbraw/zinc/07/49/33/949074933.db2.gz SHGBPMWFNANXOU-SJORKVTESA-N -1 3 378.432 3.994 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001575509459 949111771 /nfs/dbraw/zinc/11/17/71/949111771.db2.gz CHGQORRMIZOFBC-GFCCVEGCSA-N -1 3 384.509 3.745 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001575509459 949111787 /nfs/dbraw/zinc/11/17/87/949111787.db2.gz CHGQORRMIZOFBC-GFCCVEGCSA-N -1 3 384.509 3.745 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC001574100252 949189504 /nfs/dbraw/zinc/18/95/04/949189504.db2.gz RZZGWDPYWRUSEN-WCQYABFASA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC001574100252 949189512 /nfs/dbraw/zinc/18/95/12/949189512.db2.gz RZZGWDPYWRUSEN-WCQYABFASA-N -1 3 391.566 3.913 20 0 GHADHM CC1=NO[C@@](C)(C(=O)Nc2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC001575864937 949368569 /nfs/dbraw/zinc/36/85/69/949368569.db2.gz KJQAMPZGQNKNNV-LJQANCHMSA-N -1 3 394.460 3.511 20 0 GHADHM CC1=NO[C@@](C)(C(=O)Nc2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC001575864937 949368598 /nfs/dbraw/zinc/36/85/98/949368598.db2.gz KJQAMPZGQNKNNV-LJQANCHMSA-N -1 3 394.460 3.511 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001574143047 949885137 /nfs/dbraw/zinc/88/51/37/949885137.db2.gz FLZJHKHPMBVSKB-CHWSQXEVSA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001574143047 949885156 /nfs/dbraw/zinc/88/51/56/949885156.db2.gz FLZJHKHPMBVSKB-CHWSQXEVSA-N -1 3 391.541 3.833 20 0 GHADHM CC(C)(C)CC[C@H](Nc1cc(F)ccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001573843359 950173173 /nfs/dbraw/zinc/17/31/73/950173173.db2.gz VTPDPWOFPSPAQK-AWEZNQCLSA-N -1 3 377.464 3.954 20 0 GHADHM CC(C)(C)CC[C@H](Nc1cc(F)ccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001573843359 950173184 /nfs/dbraw/zinc/17/31/84/950173184.db2.gz VTPDPWOFPSPAQK-AWEZNQCLSA-N -1 3 377.464 3.954 20 0 GHADHM CC(C)(C)OC(=O)N(CCCSc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573854017 950337175 /nfs/dbraw/zinc/33/71/75/950337175.db2.gz WRGUTIKQHQLGDT-UHFFFAOYSA-N -1 3 393.488 3.888 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)c2cc3ccccn3c2)cc1-c1nnn[n-]1 ZINC001573876259 950668064 /nfs/dbraw/zinc/66/80/64/950668064.db2.gz IDZZWKMDIFYXHY-UHFFFAOYSA-N -1 3 376.420 3.549 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)c2cc3ccccn3c2)cc1-c1nn[n-]n1 ZINC001573876259 950668088 /nfs/dbraw/zinc/66/80/88/950668088.db2.gz IDZZWKMDIFYXHY-UHFFFAOYSA-N -1 3 376.420 3.549 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001573876762 950682161 /nfs/dbraw/zinc/68/21/61/950682161.db2.gz VKZJKTWTVKSYSA-DTORHVGOSA-N -1 3 384.253 3.526 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001573876762 950682177 /nfs/dbraw/zinc/68/21/77/950682177.db2.gz VKZJKTWTVKSYSA-DTORHVGOSA-N -1 3 384.253 3.526 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573881404 950749491 /nfs/dbraw/zinc/74/94/91/950749491.db2.gz DSWHSDHLCJSARK-ZTIWFVSMSA-N -1 3 387.487 3.981 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573881404 950749504 /nfs/dbraw/zinc/74/95/04/950749504.db2.gz DSWHSDHLCJSARK-ZTIWFVSMSA-N -1 3 387.487 3.981 20 0 GHADHM CC1(C)CC(CNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001575639635 950877003 /nfs/dbraw/zinc/87/70/03/950877003.db2.gz UUZIMJDTVYIJOO-UHFFFAOYSA-N -1 3 376.464 3.776 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc2c(c1)CC(C)(C)O2 ZINC001575187374 952440221 /nfs/dbraw/zinc/44/02/21/952440221.db2.gz BXLAVCHPQRUNLS-CQSZACIVSA-N -1 3 392.459 3.502 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc2c(c1)CC(C)(C)O2 ZINC001575187374 952440225 /nfs/dbraw/zinc/44/02/25/952440225.db2.gz BXLAVCHPQRUNLS-CQSZACIVSA-N -1 3 392.459 3.502 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001575187422 952441478 /nfs/dbraw/zinc/44/14/78/952441478.db2.gz CKIVZQHNQVJELQ-WAIKUNEKSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001575187422 952441482 /nfs/dbraw/zinc/44/14/82/952441482.db2.gz CKIVZQHNQVJELQ-WAIKUNEKSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001575188972 952453147 /nfs/dbraw/zinc/45/31/47/952453147.db2.gz LQEZEDQQTSOKJH-OAHLLOKOSA-N -1 3 393.466 3.591 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001575188972 952453153 /nfs/dbraw/zinc/45/31/53/952453153.db2.gz LQEZEDQQTSOKJH-OAHLLOKOSA-N -1 3 393.466 3.591 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001575189485 952457920 /nfs/dbraw/zinc/45/79/20/952457920.db2.gz PPAVMGPMLGMYDJ-OAQYLSRUSA-N -1 3 389.484 3.816 20 0 GHADHM C[C@](Cc1ccccc1)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001575189485 952457926 /nfs/dbraw/zinc/45/79/26/952457926.db2.gz PPAVMGPMLGMYDJ-OAQYLSRUSA-N -1 3 389.484 3.816 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2cc(Cl)ccc21 ZINC001575189860 952460727 /nfs/dbraw/zinc/46/07/27/952460727.db2.gz QBASPYJWSUEYBC-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2cc(Cl)ccc21 ZINC001575189860 952460731 /nfs/dbraw/zinc/46/07/31/952460731.db2.gz QBASPYJWSUEYBC-ZDUSSCGKSA-N -1 3 381.867 3.678 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191902 952471191 /nfs/dbraw/zinc/47/11/91/952471191.db2.gz ZUMKGRYKSPDTAS-YJYMSZOUSA-N -1 3 395.894 3.966 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001575191902 952471192 /nfs/dbraw/zinc/47/11/92/952471192.db2.gz ZUMKGRYKSPDTAS-YJYMSZOUSA-N -1 3 395.894 3.966 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cc(Cl)ccc1OCC1CC1)O2 ZINC001594904401 954661117 /nfs/dbraw/zinc/66/11/17/954661117.db2.gz CVYHXNNMCZXVSP-CMVHYPBASA-N -1 3 379.884 3.631 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccsc1 ZINC001341345563 957979663 /nfs/dbraw/zinc/97/96/63/957979663.db2.gz VHPPGZRRTKLVNK-DLBZAZTESA-N -1 3 381.542 3.560 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573539536 959185768 /nfs/dbraw/zinc/18/57/68/959185768.db2.gz QGWHVDMHAQVGJY-XASXRRJKSA-N -1 3 384.476 3.609 20 0 GHADHM CCCN(C)[C@H](CNC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001603654990 974025693 /nfs/dbraw/zinc/02/56/93/974025693.db2.gz NFMQKIZEATXQMT-QGZVFWFLSA-N -1 3 390.871 3.638 20 0 GHADHM CCOC(=O)[C@@H](CCCC(C)C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001625785272 1014159454 /nfs/dbraw/zinc/15/94/54/1014159454.db2.gz PVPPSTWSGHCVKD-CQSZACIVSA-N -1 3 377.378 3.931 20 0 GHADHM C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001592463643 978190487 /nfs/dbraw/zinc/19/04/87/978190487.db2.gz GCOILHPOXCGDLM-UPJWGTAASA-N -1 3 383.514 3.670 20 0 GHADHM C[C@](CCF)(NCc1cc(Br)ccc1Br)C(=O)[O-] ZINC001592508087 978332278 /nfs/dbraw/zinc/33/22/78/978332278.db2.gz YYZYQTIEUMHBLA-GFCCVEGCSA-N -1 3 383.055 3.504 20 0 GHADHM O=c1cc(O[C@H](c2ccccc2)c2cccc(Cl)c2)nc(N2CCOCC2)[n-]1 ZINC001226723200 1032093511 /nfs/dbraw/zinc/09/35/11/1032093511.db2.gz UHTDTNTUGFTAQV-HXUWFJFHSA-N -1 3 397.862 3.841 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000832056350 979038528 /nfs/dbraw/zinc/03/85/28/979038528.db2.gz CJRORUATMBXSCD-MRXNPFEDSA-N -1 3 385.338 3.518 20 0 GHADHM C[C@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])N(C)Cc1ccccc1 ZINC001592664467 979066338 /nfs/dbraw/zinc/06/63/38/979066338.db2.gz DCCOULFYBMTPTN-YLJYHZDGSA-N -1 3 397.519 3.658 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1[O-] ZINC001625970765 1014603003 /nfs/dbraw/zinc/60/30/03/1014603003.db2.gz IVOMQLXQGLGAST-UHFFFAOYSA-N -1 3 378.831 3.836 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1(Cc2ccccc2Br)CC1 ZINC001626457379 1014753252 /nfs/dbraw/zinc/75/32/52/1014753252.db2.gz BLFQYWDXHNAFPV-UHFFFAOYSA-N -1 3 387.237 3.789 20 0 GHADHM CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1ccc(OC)c([O-])c1Br)CC1CC1 ZINC001594788116 981833446 /nfs/dbraw/zinc/83/34/46/981833446.db2.gz RXDCOCBMONGSKV-KRWDZBQOSA-N -1 3 386.286 3.629 20 0 GHADHM CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(OC)c([O-])c1Br)CC1CC1 ZINC001594788116 981833451 /nfs/dbraw/zinc/83/34/51/981833451.db2.gz RXDCOCBMONGSKV-KRWDZBQOSA-N -1 3 386.286 3.629 20 0 GHADHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)C1 ZINC000467985001 1015100993 /nfs/dbraw/zinc/10/09/93/1015100993.db2.gz RFOLIOCLZGWHMF-ZDUSSCGKSA-N -1 3 383.477 3.677 20 0 GHADHM Cc1[nH]c(CN(CCCO)C(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC001599962188 985805171 /nfs/dbraw/zinc/80/51/71/985805171.db2.gz MLVODWMPGUBCRR-UHFFFAOYSA-N -1 3 378.472 3.995 20 0 GHADHM CCO[C@@H]1CCCC[C@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001596974855 986209131 /nfs/dbraw/zinc/20/91/31/986209131.db2.gz HGSOSBWIUINGKT-HUUCEWRRSA-N -1 3 386.286 3.593 20 0 GHADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(c2cccc3ccccc32)CC1 ZINC001589348486 986294054 /nfs/dbraw/zinc/29/40/54/986294054.db2.gz AUEMSBODFLRGNY-KRWDZBQOSA-N -1 3 394.515 3.731 20 0 GHADHM CCOc1cc(CNCc2cc(C(=O)[O-])c3n2CCCC3)ccc1OC(F)F ZINC001597035931 986473310 /nfs/dbraw/zinc/47/33/10/986473310.db2.gz QLDJQRWPMVTCLB-UHFFFAOYSA-N -1 3 394.418 3.813 20 0 GHADHM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001589511048 987138023 /nfs/dbraw/zinc/13/80/23/987138023.db2.gz YGJYWFOWXRMYIM-OXQOHEQNSA-N -1 3 381.476 3.833 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001597257804 987264170 /nfs/dbraw/zinc/26/41/70/987264170.db2.gz ANSFALLYESAIJF-IACUBPJLSA-N -1 3 396.578 3.773 20 0 GHADHM CC[C@H](C)Oc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000545031097 1015388666 /nfs/dbraw/zinc/38/86/66/1015388666.db2.gz MVJLPWISJPZFAK-ZDUSSCGKSA-N -1 3 387.461 3.952 20 0 GHADHM CSc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC001599818170 988463946 /nfs/dbraw/zinc/46/39/46/988463946.db2.gz PFVCUCNUPNHXMH-RDTXWAMCSA-N -1 3 399.516 3.891 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2Cl)C12CCC2 ZINC001589982614 988857878 /nfs/dbraw/zinc/85/78/78/988857878.db2.gz JMLDUEPKNSTUNS-HOTGVXAUSA-N -1 3 394.899 3.987 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(C(=O)[O-])cs1)C2 ZINC001590003688 988934837 /nfs/dbraw/zinc/93/48/37/988934837.db2.gz MDVWKBNREXFSSZ-IBGZPJMESA-N -1 3 380.510 3.669 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1(C)C ZINC001590146726 989420829 /nfs/dbraw/zinc/42/08/29/989420829.db2.gz DVTLSDANJWBRMC-KRWDZBQOSA-N -1 3 399.491 3.668 20 0 GHADHM CC(C)(C)OC(=O)NCCCCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590185055 989537511 /nfs/dbraw/zinc/53/75/11/989537511.db2.gz LTIZJFHRXKBNSR-UHFFFAOYSA-N -1 3 392.496 3.664 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000468331938 1015593185 /nfs/dbraw/zinc/59/31/85/1015593185.db2.gz MLJKIFXEUBEKAJ-UHFFFAOYSA-N -1 3 384.451 3.909 20 0 GHADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001598229398 990928485 /nfs/dbraw/zinc/92/84/85/990928485.db2.gz LITPZSXZHLKHQF-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM COc1cccc2c1OCCC[C@@H]2NCc1ccnc2c(C(=O)[O-])cccc12 ZINC001599692013 991085208 /nfs/dbraw/zinc/08/52/08/991085208.db2.gz CVGCHONYEVPFRS-SFHVURJKSA-N -1 3 378.428 3.945 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001590981519 991142105 /nfs/dbraw/zinc/14/21/05/991142105.db2.gz VXAJYYUHFJYFNW-ZFGGDYGUSA-N -1 3 394.515 3.518 20 0 GHADHM C[C@@](O)(C1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1)C(F)(F)F ZINC000545224871 1015676476 /nfs/dbraw/zinc/67/64/76/1015676476.db2.gz FNYJRHYCOFDHJJ-GOSISDBHSA-N -1 3 395.381 3.607 20 0 GHADHM CC(C)CN(CCc1ccc(F)cc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001591342444 992319631 /nfs/dbraw/zinc/31/96/31/992319631.db2.gz AXVMWTJEGSIMGS-UHFFFAOYSA-N -1 3 397.450 3.873 20 0 GHADHM CN(Cc1cc(C(=O)[O-])cs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598506509 992508944 /nfs/dbraw/zinc/50/89/44/992508944.db2.gz DFNFSVKKVVDNGA-CYBMUJFWSA-N -1 3 390.288 3.625 20 0 GHADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001591432055 992526496 /nfs/dbraw/zinc/52/64/96/992526496.db2.gz OJJBUIDWVGKIGY-HNNXBMFYSA-N -1 3 385.489 3.995 20 0 GHADHM CN1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1c1ccccc1 ZINC001598585003 993369947 /nfs/dbraw/zinc/36/99/47/993369947.db2.gz BWKBSPDBEOPWGO-SLFFLAALSA-N -1 3 395.503 3.583 20 0 GHADHM COc1cccc([C@@H](O)C2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)c1 ZINC001599660055 994642869 /nfs/dbraw/zinc/64/28/69/994642869.db2.gz PTVCEQZXUXACHX-UXHICEINSA-N -1 3 389.879 3.920 20 0 GHADHM C[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001593295195 994689842 /nfs/dbraw/zinc/68/98/42/994689842.db2.gz BLCBFPJVVFANNJ-MRXNPFEDSA-N -1 3 378.472 3.780 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593296507 994697075 /nfs/dbraw/zinc/69/70/75/994697075.db2.gz NAABTCMOGPTLMA-CYBMUJFWSA-N -1 3 381.457 3.944 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCC(C)(C)C3)cs2)c1 ZINC000545499443 1015949268 /nfs/dbraw/zinc/94/92/68/1015949268.db2.gz AKAXXTPOCZCFRR-ZDUSSCGKSA-N -1 3 387.505 3.647 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001593689177 996131367 /nfs/dbraw/zinc/13/13/67/996131367.db2.gz BVLSTSGFKLBIOZ-JLTOFOAXSA-N -1 3 378.469 3.762 20 0 GHADHM COc1cc([C@H](C)NCc2ccc(C(=O)[O-])c3cccnc23)cc(OC)c1OC ZINC001599390320 997022420 /nfs/dbraw/zinc/02/24/20/997022420.db2.gz YBNZHOXMAZRHHG-ZDUSSCGKSA-N -1 3 396.443 3.810 20 0 GHADHM CC1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000468835717 1016089827 /nfs/dbraw/zinc/08/98/27/1016089827.db2.gz FEEAVHJADZGNNU-UHFFFAOYSA-N -1 3 383.673 3.816 20 0 GHADHM COc1ccc(C(NC[C@H]2CC(C(=O)[O-])=C(C)O2)c2ccc(OC)cc2)cc1 ZINC001599528636 997608306 /nfs/dbraw/zinc/60/83/06/997608306.db2.gz BBDZIVLAIYTBKQ-LJQANCHMSA-N -1 3 383.444 3.530 20 0 GHADHM COc1cc(OC)cc(C2(F)CCN(Cc3ccsc3C(=O)[O-])CC2)c1 ZINC001599451328 998107832 /nfs/dbraw/zinc/10/78/32/998107832.db2.gz 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CCOC(=O)c1cc(NC(=O)c2cn(CCCCCF)c3ccccc23)[n-]n1 ZINC001154560995 1032182621 /nfs/dbraw/zinc/18/26/21/1032182621.db2.gz LSMOCQOXNTYKBR-UHFFFAOYSA-N -1 3 386.427 3.933 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cn(CCCCCF)c3ccccc23)n[n-]1 ZINC001154560995 1032182631 /nfs/dbraw/zinc/18/26/31/1032182631.db2.gz LSMOCQOXNTYKBR-UHFFFAOYSA-N -1 3 386.427 3.933 20 0 GHADHM CN1[C@@H]2C[C@H](Oc3nc(=S)[n-]c4scc(-c5ccccc5)c43)[C@H]1CC(=O)C2 ZINC001227101524 1032271673 /nfs/dbraw/zinc/27/16/73/1032271673.db2.gz KHTBQQSRGWTUIS-MAZHCROVSA-N -1 3 397.525 3.830 20 0 GHADHM CC(C)Oc1ccc(COc2[nH]c(=S)nc3nc[n-]c32)cc1Br ZINC001227616555 1032487214 /nfs/dbraw/zinc/48/72/14/1032487214.db2.gz SENZVMVCWLTLHM-UHFFFAOYSA-N -1 3 395.282 3.770 20 0 GHADHM O=C([O-])c1ccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC001204155277 1032607910 /nfs/dbraw/zinc/60/79/10/1032607910.db2.gz YCPCKVVCEKZUBE-UHFFFAOYSA-N -1 3 381.863 3.909 20 0 GHADHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc2c(c1)CCCO2 ZINC000777626418 1017417791 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3 394.397 3.645 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@H](CC4CC4)C3)cs2)c1 ZINC000563562186 1018928598 /nfs/dbraw/zinc/92/85/98/1018928598.db2.gz LMNKFUHEPJXTET-OAHLLOKOSA-N -1 3 399.516 3.601 20 0 GHADHM CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])C2 ZINC001228123106 1032797661 /nfs/dbraw/zinc/79/76/61/1032797661.db2.gz RCYYCSKSTUUSQT-HWWDLCQESA-N -1 3 397.471 3.817 20 0 GHADHM CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])C2 ZINC001228123106 1032797682 /nfs/dbraw/zinc/79/76/82/1032797682.db2.gz RCYYCSKSTUUSQT-HWWDLCQESA-N -1 3 397.471 3.817 20 0 GHADHM Cc1oc(CN(C)CCc2cc(Cl)c3c(c2)OCCCO3)cc1C(=O)[O-] ZINC000566361978 1019222732 /nfs/dbraw/zinc/22/27/32/1019222732.db2.gz OXQXZSGNXPSSBZ-UHFFFAOYSA-N -1 3 379.840 3.775 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000568637102 1019431126 /nfs/dbraw/zinc/43/11/26/1019431126.db2.gz QJBRASFMARASNQ-QFIPXVFZSA-N -1 3 383.513 3.526 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)CO ZINC000569100236 1019467023 /nfs/dbraw/zinc/46/70/23/1019467023.db2.gz XTAFXKHCWNSEHR-GOSISDBHSA-N -1 3 391.464 3.918 20 0 GHADHM CC(C)(C)[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1O ZINC000574617760 1019893694 /nfs/dbraw/zinc/89/36/94/1019893694.db2.gz ULMAIKBCMYOAJE-KGLIPLIRSA-N -1 3 387.505 3.886 20 0 GHADHM Cc1ccccc1COc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000576068288 1019975548 /nfs/dbraw/zinc/97/55/48/1019975548.db2.gz QXQYYDDNFLLZCG-MRXNPFEDSA-N -1 3 378.350 3.951 20 0 GHADHM O=c1c2ccccc2nc2n1CC[C@@H]2Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228347942 1032901114 /nfs/dbraw/zinc/90/11/14/1032901114.db2.gz XOCOGDQDNGIQFS-KRWDZBQOSA-N -1 3 388.452 3.666 20 0 GHADHM COC[C@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCc2ccccc21 ZINC000629751707 1020763856 /nfs/dbraw/zinc/76/38/56/1020763856.db2.gz PQLXBOOSCNBSBI-YCRPNKLZSA-N -1 3 376.456 3.693 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000630026820 1020792790 /nfs/dbraw/zinc/79/27/90/1020792790.db2.gz JIZWRRCAKZFVAJ-UHFFFAOYSA-N -1 3 395.286 3.866 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCCC1)c1cccc(Cl)c1F ZINC000642375742 1021091151 /nfs/dbraw/zinc/09/11/51/1021091151.db2.gz XPDFVVDUMVBMSR-MRXNPFEDSA-N -1 3 382.888 3.595 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1F ZINC000642375975 1021091270 /nfs/dbraw/zinc/09/12/70/1021091270.db2.gz MJSVXSPDRIFBJA-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000646898955 1021143069 /nfs/dbraw/zinc/14/30/69/1021143069.db2.gz GTRUZZWPZOHOIL-QGZVFWFLSA-N -1 3 387.398 3.601 20 0 GHADHM O=C(c1ccc(Br)cc1)C1CCN(Cc2ccncc2[O-])CC1 ZINC001140277127 1021303618 /nfs/dbraw/zinc/30/36/18/1021303618.db2.gz UICDFNRMGSXJCB-UHFFFAOYSA-N -1 3 375.266 3.645 20 0 GHADHM CC[C@](CNCc1ncc(Br)cc1F)(C(=O)[O-])c1ccccc1 ZINC000901901297 1021459628 /nfs/dbraw/zinc/45/96/28/1021459628.db2.gz XWPURRNTUBQEQN-QGZVFWFLSA-N -1 3 381.245 3.505 20 0 GHADHM COc1ccc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)c(Cl)n1 ZINC001276474638 1032987129 /nfs/dbraw/zinc/98/71/29/1032987129.db2.gz ULIIIQIYYUQLTP-UHFFFAOYSA-N -1 3 378.816 3.577 20 0 GHADHM COCC[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000803629237 1021617725 /nfs/dbraw/zinc/61/77/25/1021617725.db2.gz FEGQDNFZXIYYNU-ZDUSSCGKSA-N -1 3 382.234 3.738 20 0 GHADHM O=C([O-])c1cnc([C@@H]2CCN(CCOc3ccccc3C(F)(F)F)C2)s1 ZINC000903923703 1021656302 /nfs/dbraw/zinc/65/63/02/1021656302.db2.gz AKLZAQMRHALXLZ-LLVKDONJSA-N -1 3 386.395 3.728 20 0 GHADHM C[C@@H]1CCN(Cc2cccc([O-])c2Br)C[C@H]1NC(=O)OC(C)(C)C ZINC001140547944 1021948864 /nfs/dbraw/zinc/94/88/64/1021948864.db2.gz WXFBHEGQYOTAIG-TZMCWYRMSA-N -1 3 399.329 3.890 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cccc([O-])c2Br)C1 ZINC001140552306 1021955257 /nfs/dbraw/zinc/95/52/57/1021955257.db2.gz FUORHLOVRLJEKT-TZMCWYRMSA-N -1 3 399.329 3.890 20 0 GHADHM FC(F)(F)C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Br)cc1 ZINC000680370616 1022148690 /nfs/dbraw/zinc/14/86/90/1022148690.db2.gz JISYWLVSBSONGI-NSHDSACASA-N -1 3 386.175 3.595 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)[C@H](O)c1cccc(F)c1 ZINC001137418748 1022190508 /nfs/dbraw/zinc/19/05/08/1022190508.db2.gz NWJAIZLCTBBZGP-QFYYESIMSA-N -1 3 387.785 3.818 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1O ZINC000680809302 1022232588 /nfs/dbraw/zinc/23/25/88/1022232588.db2.gz BIGHRDWCGAOWDZ-UHFFFAOYSA-N -1 3 375.368 3.751 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1[O-] ZINC000754267092 1022568796 /nfs/dbraw/zinc/56/87/96/1022568796.db2.gz JGQSHBFBUKKCIP-URNNUDQISA-N -1 3 388.460 3.740 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1[O-] ZINC000754277923 1022577835 /nfs/dbraw/zinc/57/78/35/1022577835.db2.gz VOMFCDPZOJALFK-LLVKDONJSA-N -1 3 393.823 3.555 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1 ZINC001140887688 1022802920 /nfs/dbraw/zinc/80/29/20/1022802920.db2.gz DHVDIQMPHAXFPZ-HXUWFJFHSA-N -1 3 382.451 3.893 20 0 GHADHM O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1 ZINC001140888261 1022805306 /nfs/dbraw/zinc/80/53/06/1022805306.db2.gz AZKDBFBDYNOICR-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM CC(=O)N1CC2(CCN(Cc3ccc([O-])c(F)c3F)CC2)c2cc(C)ccc21 ZINC001140890903 1022811571 /nfs/dbraw/zinc/81/15/71/1022811571.db2.gz PHXHHWDEDWXUHY-UHFFFAOYSA-N -1 3 386.442 3.879 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990500 1023102731 /nfs/dbraw/zinc/10/27/31/1023102731.db2.gz CNLJQLQOVGLPAU-MOPGFXCFSA-N -1 3 375.415 3.982 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(Cc2ccco2)c2ccccc2)c([O-])c1 ZINC000755242711 1023150473 /nfs/dbraw/zinc/15/04/73/1023150473.db2.gz GIHGCEDPFJNFKV-UHFFFAOYSA-N -1 3 378.428 3.647 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(F)c(Br)c(Cl)c1 ZINC000836615208 1023170363 /nfs/dbraw/zinc/17/03/63/1023170363.db2.gz ICDAMLQBUJNLMG-UHFFFAOYSA-N -1 3 397.628 3.636 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000836615208 1023170368 /nfs/dbraw/zinc/17/03/68/1023170368.db2.gz ICDAMLQBUJNLMG-UHFFFAOYSA-N -1 3 397.628 3.636 20 0 GHADHM CCOc1cccc(N2CCN(Cc3cc(Cl)c([O-])c(OCC)c3)CC2)n1 ZINC001204839358 1033115556 /nfs/dbraw/zinc/11/55/56/1033115556.db2.gz GKBQHUIZPMONOL-UHFFFAOYSA-N -1 3 391.899 3.560 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000755905785 1023429601 /nfs/dbraw/zinc/42/96/01/1023429601.db2.gz JWYOOPQRWGPHCP-UHFFFAOYSA-N -1 3 393.777 3.807 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000755977452 1023461014 /nfs/dbraw/zinc/46/10/14/1023461014.db2.gz JZNDBVAPQXIIOE-MRVPVSSYSA-N -1 3 382.707 3.578 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000755978094 1023462469 /nfs/dbraw/zinc/46/24/69/1023462469.db2.gz PNMHCICZYOJDFG-UHFFFAOYSA-N -1 3 391.201 3.684 20 0 GHADHM O=C(NCC1(c2ccccc2Br)CCCCC1)c1cnncc1[O-] ZINC001141119349 1023541187 /nfs/dbraw/zinc/54/11/87/1023541187.db2.gz VUUUCOCSNLSFLY-UHFFFAOYSA-N -1 3 390.281 3.577 20 0 GHADHM CCOc1ccc(Cl)cc1CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000756245592 1023562971 /nfs/dbraw/zinc/56/29/71/1023562971.db2.gz IJWAGTUAXGYBSM-UHFFFAOYSA-N -1 3 377.872 3.639 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC000756321270 1023589405 /nfs/dbraw/zinc/58/94/05/1023589405.db2.gz IWJQOXWXQUJKEW-QGZVFWFLSA-N -1 3 385.460 3.723 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756540914 1023706979 /nfs/dbraw/zinc/70/69/79/1023706979.db2.gz CNIFZIOSKLWMPK-MRVPVSSYSA-N -1 3 391.237 3.883 20 0 GHADHM O=c1cc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)c2ccc([O-])cc2o1 ZINC000830844757 1024183698 /nfs/dbraw/zinc/18/36/98/1024183698.db2.gz HGXHGZCHVIVHSV-QGZVFWFLSA-N -1 3 393.361 3.731 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001228959152 1033201204 /nfs/dbraw/zinc/20/12/04/1033201204.db2.gz SETHEVQFWJDBBM-OAHLLOKOSA-N -1 3 393.480 3.733 20 0 GHADHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837385386 1024407715 /nfs/dbraw/zinc/40/77/15/1024407715.db2.gz WXWRKRYXWQAROX-UHFFFAOYSA-N -1 3 393.447 3.620 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000831599602 1024674311 /nfs/dbraw/zinc/67/43/11/1024674311.db2.gz DIFXQORTYHWMQA-LBPRGKRZSA-N -1 3 390.249 3.761 20 0 GHADHM CO[C@@H](Cc1ccccc1)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000837841916 1024747089 /nfs/dbraw/zinc/74/70/89/1024747089.db2.gz QOTQQDVHIABEKR-DOMZBBRYSA-N -1 3 386.473 3.876 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccnc(OC(F)F)c3)nc(=O)c2c1C ZINC000837990428 1024861523 /nfs/dbraw/zinc/86/15/23/1024861523.db2.gz AVMGQZJYWOZDTM-QMMMGPOBSA-N -1 3 395.387 3.928 20 0 GHADHM O=C(COC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)[N-]C(=O)c1cccs1 ZINC000838006136 1024874337 /nfs/dbraw/zinc/87/43/37/1024874337.db2.gz KPBUBQDPRZMWDE-YPMHNXCESA-N -1 3 395.839 3.534 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc4c(c3)NCC4)nc(=O)c2c1C ZINC000838217888 1024998010 /nfs/dbraw/zinc/99/80/10/1024998010.db2.gz KCMGMZMBTWKADA-LLVKDONJSA-N -1 3 383.473 3.829 20 0 GHADHM Cc1ccnc(N2CCC(Oc3cc(O)cc([O-])c3Br)CC2)c1 ZINC001229096252 1033274890 /nfs/dbraw/zinc/27/48/90/1033274890.db2.gz ALBMMRPNEIWCJA-UHFFFAOYSA-N -1 3 379.254 3.612 20 0 GHADHM CCOc1cc(CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc(Cl)c1[O-] ZINC000838859846 1025400052 /nfs/dbraw/zinc/40/00/52/1025400052.db2.gz OEHIIKPVDLQJFQ-IEBWSBKVSA-N -1 3 391.895 3.769 20 0 GHADHM CCCCOC[C@@H](C)OC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097539 1033277121 /nfs/dbraw/zinc/27/71/21/1033277121.db2.gz TUDITPQEWMHVMV-NEPJUHHUSA-N -1 3 377.275 3.849 20 0 GHADHM O=C1CCCCN1c1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000838911286 1025438102 /nfs/dbraw/zinc/43/81/02/1025438102.db2.gz SOEMNYVISNXYQQ-UHFFFAOYSA-N -1 3 389.293 3.961 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC001138924983 1025593200 /nfs/dbraw/zinc/59/32/00/1025593200.db2.gz FFOVDKWWSLYFDU-UHFFFAOYSA-N -1 3 393.443 3.580 20 0 GHADHM CC(=O)c1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1[O-] ZINC000839699965 1026212906 /nfs/dbraw/zinc/21/29/06/1026212906.db2.gz DUSWBINULKFQCG-UHFFFAOYSA-N -1 3 398.459 3.914 20 0 GHADHM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001141677260 1026236861 /nfs/dbraw/zinc/23/68/61/1026236861.db2.gz PBLUYPREOWYYGX-UHFFFAOYSA-N -1 3 391.427 3.891 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cc([O-])ccc1Cl ZINC000839787744 1026267601 /nfs/dbraw/zinc/26/76/01/1026267601.db2.gz RSRISMDCXBFZGL-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000833719827 1026649113 /nfs/dbraw/zinc/64/91/13/1026649113.db2.gz PTIKGZSJKDXKAJ-CQSZACIVSA-N -1 3 388.336 3.741 20 0 GHADHM O=C(Nc1ccccc1)[C@H]1CCCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165195816 1026657870 /nfs/dbraw/zinc/65/78/70/1026657870.db2.gz RFQFTBAHTIMWIA-LLVKDONJSA-N -1 3 384.839 3.571 20 0 GHADHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCC2(C=Cc3ccccc32)CC1 ZINC001165334345 1026706245 /nfs/dbraw/zinc/70/62/45/1026706245.db2.gz DDPXNGRUGBAURC-UHFFFAOYSA-N -1 3 394.862 3.963 20 0 GHADHM Cn1c(=O)[n-]c(=O)c(N=O)c1Nc1c(C(F)(F)F)cccc1C(F)(F)F ZINC001165685630 1026796373 /nfs/dbraw/zinc/79/63/73/1026796373.db2.gz FBNJQEMBUYMHJW-UHFFFAOYSA-N -1 3 382.220 3.665 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cnc(OCC(C)C)c(C)c1)OCC ZINC001203008995 1026964899 /nfs/dbraw/zinc/96/48/99/1026964899.db2.gz WHMLKOAACHLAMH-UHFFFAOYSA-N -1 3 390.484 3.606 20 0 GHADHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001209890543 1027264084 /nfs/dbraw/zinc/26/40/84/1027264084.db2.gz CFBVCMKRRWKJQT-AWEZNQCLSA-N -1 3 387.851 3.824 20 0 GHADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001210100902 1027341215 /nfs/dbraw/zinc/34/12/15/1027341215.db2.gz FFCIELVWDXXAGJ-KRWDZBQOSA-N -1 3 393.480 3.692 20 0 GHADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C12CCCC2 ZINC001210373501 1027476601 /nfs/dbraw/zinc/47/66/01/1027476601.db2.gz YFEDPEFJWCUFSE-CABCVRRESA-N -1 3 395.418 3.861 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccccc1Cl ZINC001210525378 1027544400 /nfs/dbraw/zinc/54/44/00/1027544400.db2.gz JUAQKJYDMGDNJW-JTQLQIEISA-N -1 3 393.814 3.893 20 0 GHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cccnc1Oc1ccc(F)cc1 ZINC001210928291 1027709110 /nfs/dbraw/zinc/70/91/10/1027709110.db2.gz SSYPTOXIMRHFLT-ZDUSSCGKSA-N -1 3 386.395 3.869 20 0 GHADHM CC(C)(C)SCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001211149271 1027811136 /nfs/dbraw/zinc/81/11/36/1027811136.db2.gz UXMCIZDHUQIXFP-UHFFFAOYSA-N -1 3 376.853 3.564 20 0 GHADHM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C[C@@H]1OC ZINC001211180749 1027826492 /nfs/dbraw/zinc/82/64/92/1027826492.db2.gz YQUKUVWPYVBHQG-STQMWFEESA-N -1 3 388.942 3.822 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc[nH]2)c(Br)c1 ZINC001211411996 1027947873 /nfs/dbraw/zinc/94/78/73/1027947873.db2.gz CEQSMVJYSHJYPR-VIFPVBQESA-N -1 3 377.691 3.779 20 0 GHADHM O=S(=O)([N-]CCn1cncc1-c1ccccc1)c1c(Cl)cccc1Cl ZINC001213261931 1028075793 /nfs/dbraw/zinc/07/57/93/1028075793.db2.gz KOIBQHZSAQKLOE-UHFFFAOYSA-N -1 3 396.299 3.835 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC001213450670 1028199070 /nfs/dbraw/zinc/19/90/70/1028199070.db2.gz HCRUCLNIYFOYKF-ABAIWWIYSA-N -1 3 397.846 3.842 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2cc(Br)c(F)cc2[O-])c(F)c1 ZINC001142142940 1028237253 /nfs/dbraw/zinc/23/72/53/1028237253.db2.gz KHBKQXLQHWMSKQ-UHFFFAOYSA-N -1 3 385.208 3.747 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC001213679737 1028325351 /nfs/dbraw/zinc/32/53/51/1028325351.db2.gz HMMPEPWDRKXZHR-OAHLLOKOSA-N -1 3 395.427 3.698 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cc(Br)ccc3N(C)C)no2)n1 ZINC001213699522 1028339087 /nfs/dbraw/zinc/33/90/87/1028339087.db2.gz NUPOQSADYKOGNV-UHFFFAOYSA-N -1 3 375.226 3.641 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC2(CCC2)O1)c1c2ncsc2ccc1Cl ZINC001213824292 1028391642 /nfs/dbraw/zinc/39/16/42/1028391642.db2.gz NVEOMGRFFHXNPB-NSHDSACASA-N -1 3 386.926 3.720 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C(C)(C)O1 ZINC001213838794 1028402699 /nfs/dbraw/zinc/40/26/99/1028402699.db2.gz WEOZHCRLNMUDRV-SNVBAGLBSA-N -1 3 383.407 3.717 20 0 GHADHM CC[C@@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001213894003 1028436108 /nfs/dbraw/zinc/43/61/08/1028436108.db2.gz CXIAQKKTSBTWFG-GFCCVEGCSA-N -1 3 394.242 3.755 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000841388294 1028550087 /nfs/dbraw/zinc/55/00/87/1028550087.db2.gz DDIHSDKRJHSOHN-GFCCVEGCSA-N -1 3 397.435 3.903 20 0 GHADHM CSc1ccc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc1C(F)(F)F ZINC001214470618 1028749673 /nfs/dbraw/zinc/74/96/73/1028749673.db2.gz IPJUHKZXSCIWLB-UHFFFAOYSA-N -1 3 378.397 3.516 20 0 GHADHM Cc1cccc(COc2c(C)cc(CN[C@@H](C(=O)[O-])c3cnn(C)c3)cc2C)c1 ZINC000841807733 1028954329 /nfs/dbraw/zinc/95/43/29/1028954329.db2.gz SUGHJILWWKPSMF-OAQYLSRUSA-N -1 3 393.487 3.840 20 0 GHADHM O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1[n-]cnc1C(F)(F)F ZINC001142636872 1029190917 /nfs/dbraw/zinc/19/09/17/1029190917.db2.gz OUFHDPKRJSVTOE-UHFFFAOYSA-N -1 3 389.259 3.885 20 0 GHADHM O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1nc[n-]c1C(F)(F)F ZINC001142636872 1029190926 /nfs/dbraw/zinc/19/09/26/1029190926.db2.gz OUFHDPKRJSVTOE-UHFFFAOYSA-N -1 3 389.259 3.885 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OCC(C)C)nc1C)OCC ZINC001215946682 1029467950 /nfs/dbraw/zinc/46/79/50/1029467950.db2.gz ZPPBLFJFIWASFS-UHFFFAOYSA-N -1 3 390.484 3.606 20 0 GHADHM COC(=O)c1cc(-c2ccn(-c3cc(C)c([O-])c(Cl)c3)c(=N)c2N)ccc1C ZINC001216087867 1029520403 /nfs/dbraw/zinc/52/04/03/1029520403.db2.gz XAHLGBDBSYDLFS-UHFFFAOYSA-N -1 3 397.862 3.968 20 0 GHADHM c1ccc(COc2ccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)nc2)cc1 ZINC001216120720 1029531608 /nfs/dbraw/zinc/53/16/08/1029531608.db2.gz BWTHPBJYEMIPFQ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2ccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)nc2)cc1 ZINC001216120720 1029531615 /nfs/dbraw/zinc/53/16/15/1029531615.db2.gz BWTHPBJYEMIPFQ-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM COc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1OC(C)C ZINC001216441464 1029639255 /nfs/dbraw/zinc/63/92/55/1029639255.db2.gz DAZFRSDNKXFDHU-VIFPVBQESA-N -1 3 387.362 3.502 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc([C@@H](N)C(C)C)no3)cc2)cc1 ZINC000843152236 1029833664 /nfs/dbraw/zinc/83/36/64/1029833664.db2.gz QDPCJJBHLUTSBH-KRWDZBQOSA-N -1 3 386.477 3.502 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@@H](N)C(C)C)no3)c2)c1 ZINC000843154556 1029834171 /nfs/dbraw/zinc/83/41/71/1029834171.db2.gz YTHLCZVJSSCARM-KRWDZBQOSA-N -1 3 386.477 3.502 20 0 GHADHM CC(C)c1ccc(CCC(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)cc1 ZINC001143261185 1029957257 /nfs/dbraw/zinc/95/72/57/1029957257.db2.gz XVLGYCMMPXDYFR-SFHVURJKSA-N -1 3 388.508 3.785 20 0 GHADHM [O-]c1ccc(I)c(-c2nc(-c3ccccc3F)no2)c1 ZINC001216943745 1030016967 /nfs/dbraw/zinc/01/69/67/1030016967.db2.gz WSGMBTRDJQHYMP-UHFFFAOYSA-N -1 3 382.132 3.853 20 0 GHADHM Cc1cc(-c2noc(-c3cccc(OCCO)c3[O-])n2)ccc1Br ZINC001216958623 1030032004 /nfs/dbraw/zinc/03/20/04/1030032004.db2.gz IYFLSUODKDPNAK-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc4scnc4c3)no2)c1C ZINC001216961286 1030034622 /nfs/dbraw/zinc/03/46/22/1030034622.db2.gz FWXIEKCXQQZQEO-UHFFFAOYSA-N -1 3 378.413 3.598 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCC3(CC2)OCCc2ccccc23)c1[O-] ZINC001149198801 1030089068 /nfs/dbraw/zinc/08/90/68/1030089068.db2.gz URUGUCKEPFZMQX-UHFFFAOYSA-N -1 3 388.467 3.953 20 0 GHADHM Cc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)c(F)cc1F ZINC001217018522 1030094898 /nfs/dbraw/zinc/09/48/98/1030094898.db2.gz QDSXOZQHYSVAGJ-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM [O-]c1cc(O)c(-c2nc(-c3cccc(F)c3)no2)cc1I ZINC001217115964 1030177326 /nfs/dbraw/zinc/17/73/26/1030177326.db2.gz LXUPBHXPIFMWPD-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1C ZINC001150208146 1030451474 /nfs/dbraw/zinc/45/14/74/1030451474.db2.gz WVXPIUMJQMGYMV-XFXZXTDPSA-N -1 3 398.264 3.980 20 0 GHADHM CC(=CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1C ZINC001150208146 1030451484 /nfs/dbraw/zinc/45/14/84/1030451484.db2.gz WVXPIUMJQMGYMV-XFXZXTDPSA-N -1 3 398.264 3.980 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001150214741 1030454400 /nfs/dbraw/zinc/45/44/00/1030454400.db2.gz UNWQISQARBLNCX-KBXCAEBGSA-N -1 3 398.264 3.546 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001150214741 1030454403 /nfs/dbraw/zinc/45/44/03/1030454403.db2.gz UNWQISQARBLNCX-KBXCAEBGSA-N -1 3 398.264 3.546 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cccc(OC(F)F)c4)no3)c21 ZINC001217512930 1030456615 /nfs/dbraw/zinc/45/66/15/1030456615.db2.gz UCCLTPTYWCXZEB-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)OC[C@@H]3Cc4ccccc4O3)nc21 ZINC001223399199 1030553135 /nfs/dbraw/zinc/55/31/35/1030553135.db2.gz JMJIVMLVUQBPOV-BUXKBTBVSA-N -1 3 390.798 3.688 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)OC[C@@H]3Cc4ccccc4O3)[n-]c21 ZINC001223399199 1030553149 /nfs/dbraw/zinc/55/31/49/1030553149.db2.gz JMJIVMLVUQBPOV-BUXKBTBVSA-N -1 3 390.798 3.688 20 0 GHADHM C[C@@H](CO[N-]C(=O)/C=C/Sc1cc(F)ccc1F)NC(=O)OC(C)(C)C ZINC001151184011 1030796999 /nfs/dbraw/zinc/79/69/99/1030796999.db2.gz BSGDQOBRXRIMAH-AEZGRPFRSA-N -1 3 388.436 3.532 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(C(F)(F)F)c2ccccc2n1 ZINC001152144009 1031120397 /nfs/dbraw/zinc/12/03/97/1031120397.db2.gz BWDIFTNCCCNCHF-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(C(F)(F)F)c2ccccc2n1 ZINC001152144009 1031120407 /nfs/dbraw/zinc/12/04/07/1031120407.db2.gz BWDIFTNCCCNCHF-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C1N(C2CCCC2)CCC12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001276998542 1031129957 /nfs/dbraw/zinc/12/99/57/1031129957.db2.gz MOYCIYTZRTWSNW-UHFFFAOYSA-N -1 3 380.891 3.942 20 0 GHADHM CCOc1nnc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)[n-]1 ZINC001152341989 1031199282 /nfs/dbraw/zinc/19/92/82/1031199282.db2.gz HWZCAHPBMWRUGV-OAHLLOKOSA-N -1 3 390.415 3.954 20 0 GHADHM CCOc1nc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n[n-]1 ZINC001152341989 1031199295 /nfs/dbraw/zinc/19/92/95/1031199295.db2.gz HWZCAHPBMWRUGV-OAHLLOKOSA-N -1 3 390.415 3.954 20 0 GHADHM CCOc1n[n-]c(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001152341989 1031199303 /nfs/dbraw/zinc/19/93/03/1031199303.db2.gz HWZCAHPBMWRUGV-OAHLLOKOSA-N -1 3 390.415 3.954 20 0 GHADHM CCOc1ccc(C[C@H](N)C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cc1 ZINC001219012879 1031212720 /nfs/dbraw/zinc/21/27/20/1031212720.db2.gz LAXXRSDTYSARQR-AWEZNQCLSA-N -1 3 383.275 3.915 20 0 GHADHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc2c1[N-]C(=O)C2=O ZINC001152459746 1031250186 /nfs/dbraw/zinc/25/01/86/1031250186.db2.gz NGQNSKSJERUFHZ-UHFFFAOYSA-N -1 3 384.435 3.773 20 0 GHADHM CCOC(=O)[C@H](CC(C)C)Oc1cc(C)cc([O-])c1I ZINC001225510691 1031445690 /nfs/dbraw/zinc/44/56/90/1031445690.db2.gz MIUBKFTUTZENMF-ZDUSSCGKSA-N -1 3 392.233 3.662 20 0 GHADHM CC[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1cc(OC)c(OC)c(OC)c1 ZINC001225576804 1031487382 /nfs/dbraw/zinc/48/73/82/1031487382.db2.gz MIINVDCBENGHDY-LLVKDONJSA-N -1 3 388.342 3.757 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c1 ZINC001153429578 1031587125 /nfs/dbraw/zinc/58/71/25/1031587125.db2.gz IGKZJEAJHUOWDX-QFIPXVFZSA-N -1 3 387.439 3.740 20 0 GHADHM O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cc(Br)ccc1[O-] ZINC001153474389 1031607223 /nfs/dbraw/zinc/60/72/23/1031607223.db2.gz XUDCZZQYKGIXGG-UHFFFAOYSA-N -1 3 396.138 3.865 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1c([O-])ccc2ccccc21)c1cccc(O)c1 ZINC001153509437 1031624793 /nfs/dbraw/zinc/62/47/93/1031624793.db2.gz BUEFCBPSSBTYJA-SFHVURJKSA-N -1 3 379.412 3.675 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]([C@H]2F)N3C(=O)OC(C)(C)C)c1 ZINC001225999567 1031735924 /nfs/dbraw/zinc/73/59/24/1031735924.db2.gz YAONYAXNPMGNAX-LTCOOKNTSA-N -1 3 379.428 3.852 20 0 GHADHM O=C(c1c[n-]c2cc(Br)ccc2c1=O)N1CCCC(F)(F)CC1 ZINC001153871508 1031784199 /nfs/dbraw/zinc/78/41/99/1031784199.db2.gz GYQVFGRBOFICOQ-UHFFFAOYSA-N -1 3 385.208 3.552 20 0 GHADHM C=Cc1ccc(CNC(=O)c2c[n-]c3cc(Br)ccc3c2=O)cc1 ZINC001153880605 1031790876 /nfs/dbraw/zinc/79/08/76/1031790876.db2.gz JEYHDBIJDODLPA-UHFFFAOYSA-N -1 3 383.245 3.864 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=S)ncc2C2CC2)CC(F)(F)C1 ZINC001226118119 1031796829 /nfs/dbraw/zinc/79/68/29/1031796829.db2.gz AIRRNSRNSOUIQR-LLVKDONJSA-N -1 3 387.452 3.666 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001153901985 1031800867 /nfs/dbraw/zinc/80/08/67/1031800867.db2.gz YAZCVIAJIOFPSZ-HNNXBMFYSA-N -1 3 376.737 3.546 20 0 GHADHM O=C(c1c(Cl)cccc1C(F)(F)F)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001153977131 1031852475 /nfs/dbraw/zinc/85/24/75/1031852475.db2.gz ZQUYVGNUUCUFND-UHFFFAOYSA-N -1 3 383.757 3.888 20 0 GHADHM CCCC[C@@H](CC)COCCCNC(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154119064 1031937598 /nfs/dbraw/zinc/93/75/98/1031937598.db2.gz DBXFJUVZHOIFMO-MRXNPFEDSA-N -1 3 388.508 3.890 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1cc(F)cc(Br)c1 ZINC001154146898 1031951396 /nfs/dbraw/zinc/95/13/96/1031951396.db2.gz KISBFKMDGPEOJL-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc(F)cc(Br)c3)n[n-]c21 ZINC001154146898 1031951399 /nfs/dbraw/zinc/95/13/99/1031951399.db2.gz KISBFKMDGPEOJL-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCOc3ccc(Br)cc32)c1O ZINC001226479355 1031974475 /nfs/dbraw/zinc/97/44/75/1031974475.db2.gz PSLXSGDYEXSZEZ-OAHLLOKOSA-N -1 3 379.206 3.966 20 0 GHADHM CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1c([O-])ccc(C(C)=O)c1O ZINC001226482438 1031975598 /nfs/dbraw/zinc/97/55/98/1031975598.db2.gz NEUKFGBQSUFDSU-ZFWWWQNUSA-N -1 3 379.453 3.859 20 0 GHADHM CC(C)N1CC[C@H](Oc2cc([O-])cc3occ(-c4ccc(O)cc4)c(=O)c23)C1 ZINC001226498472 1031986146 /nfs/dbraw/zinc/98/61/46/1031986146.db2.gz XBGYHFGNJSWVJH-KRWDZBQOSA-N -1 3 381.428 3.733 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598964 1032034943 /nfs/dbraw/zinc/03/49/43/1032034943.db2.gz IVEYBDOZSOWVRM-WFASDCNBSA-N -1 3 375.421 3.523 20 0 GHADHM O=C1O[C@@H](COc2cccc([O-])c2Br)CN1c1cccc(F)c1 ZINC001229139808 1033302757 /nfs/dbraw/zinc/30/27/57/1033302757.db2.gz MGPACPNGLMDGAD-GFCCVEGCSA-N -1 3 382.185 3.698 20 0 GHADHM COc1cccc2nc(=O)[n-]c(O[C@H](C)c3ccc(Br)nc3)c21 ZINC001229240039 1033361275 /nfs/dbraw/zinc/36/12/75/1033361275.db2.gz RRUXYPVBYJHPMY-SECBINFHSA-N -1 3 376.210 3.642 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2cc(Cl)nc3c2CCCCC3)c1[O-] ZINC001157035976 1033381501 /nfs/dbraw/zinc/38/15/01/1033381501.db2.gz DNCIRELDBQSCCG-UHFFFAOYSA-N -1 3 397.853 3.744 20 0 GHADHM COCc1c(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)sc2cccc(F)c21 ZINC001157100215 1033413115 /nfs/dbraw/zinc/41/31/15/1033413115.db2.gz PWYCASXABHCGFI-UHFFFAOYSA-N -1 3 391.424 3.727 20 0 GHADHM COCc1c(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)sc2cccc(F)c21 ZINC001157100215 1033413131 /nfs/dbraw/zinc/41/31/31/1033413131.db2.gz PWYCASXABHCGFI-UHFFFAOYSA-N -1 3 391.424 3.727 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)c1ccccc1Br ZINC001229337406 1033423418 /nfs/dbraw/zinc/42/34/18/1033423418.db2.gz FOENREGVYFMJQC-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)c1ccccc1Br ZINC001229337406 1033423425 /nfs/dbraw/zinc/42/34/25/1033423425.db2.gz FOENREGVYFMJQC-JTQLQIEISA-N -1 3 375.226 3.778 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H]1CCc2ccc(Br)cc21 ZINC001229338150 1033423507 /nfs/dbraw/zinc/42/35/07/1033423507.db2.gz VNXUZUJVULAEHO-CQSZACIVSA-N -1 3 387.237 3.704 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H]1CCc2ccc(Br)cc21 ZINC001229338150 1033423511 /nfs/dbraw/zinc/42/35/11/1033423511.db2.gz VNXUZUJVULAEHO-CQSZACIVSA-N -1 3 387.237 3.704 20 0 GHADHM CC/C(=C\C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001157223699 1033480174 /nfs/dbraw/zinc/48/01/74/1033480174.db2.gz ZBFWOHRXLPZOBT-CKEVDEADSA-N -1 3 381.476 3.669 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)c2)cc1 ZINC001157235072 1033486916 /nfs/dbraw/zinc/48/69/16/1033486916.db2.gz UEKCJEXLFWIOCH-LLVKDONJSA-N -1 3 375.354 3.685 20 0 GHADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001229570875 1033564461 /nfs/dbraw/zinc/56/44/61/1033564461.db2.gz VSEWKUZETZIXKQ-CZUORRHYSA-N -1 3 387.530 3.648 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(c3ccc(C)c(OC)c3)CCC2)c([O-])c(OC)c1 ZINC001158239772 1033981305 /nfs/dbraw/zinc/98/13/05/1033981305.db2.gz RKLKITIJCYGCDM-UHFFFAOYSA-N -1 3 399.443 3.565 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c(C)nc3ccccc3c2C)c([O-])c(OC)c1 ZINC001158245661 1033985248 /nfs/dbraw/zinc/98/52/48/1033985248.db2.gz KLTNNAPTRXPVFO-UHFFFAOYSA-N -1 3 380.400 3.605 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001230501842 1034093379 /nfs/dbraw/zinc/09/33/79/1034093379.db2.gz LDIRHCZJWDAHDO-SFHVURJKSA-N -1 3 384.819 3.720 20 0 GHADHM CCCOc1ccc(CCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001158784451 1034271198 /nfs/dbraw/zinc/27/11/98/1034271198.db2.gz QWXLONRWYWMQLJ-IYARVYRRSA-N -1 3 383.492 3.746 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158792333 1034272966 /nfs/dbraw/zinc/27/29/66/1034272966.db2.gz AWAZHFMYRBTUFG-JCNLHEQBSA-N -1 3 383.492 3.954 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)CC12CCC2 ZINC001231117511 1034407438 /nfs/dbraw/zinc/40/74/38/1034407438.db2.gz CFCVCDVNGAOMHX-INIZCTEOSA-N -1 3 385.468 3.568 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)CC12CCC2 ZINC001231117511 1034407448 /nfs/dbraw/zinc/40/74/48/1034407448.db2.gz CFCVCDVNGAOMHX-INIZCTEOSA-N -1 3 385.468 3.568 20 0 GHADHM O=C1C[C@@H](Oc2ccccc2Oc2ccccc2[O-])C(=O)N1Cc1ccccc1 ZINC001231222911 1034470717 /nfs/dbraw/zinc/47/07/17/1034470717.db2.gz KSPMACNYMIZDER-OAQYLSRUSA-N -1 3 389.407 3.891 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3CCOc4ccccc43)n[n-]2)cc1 ZINC001159364110 1034566074 /nfs/dbraw/zinc/56/60/74/1034566074.db2.gz WEKUSCVQGBWPPS-MRXNPFEDSA-N -1 3 380.473 3.910 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3cc(C(=O)[O-])ccc3F)C1)C2 ZINC001231461624 1034606382 /nfs/dbraw/zinc/60/63/82/1034606382.db2.gz YHBFKULBCOUTGU-WZONZLPQSA-N -1 3 397.446 3.619 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)C1 ZINC001231462019 1034606594 /nfs/dbraw/zinc/60/65/94/1034606594.db2.gz BZQPFRAKIMRSNM-HNAYVOBHSA-N -1 3 398.500 3.617 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231462360 1034606750 /nfs/dbraw/zinc/60/67/50/1034606750.db2.gz HUIASSZKGANGIT-IBGZPJMESA-N -1 3 380.510 3.812 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C2(CC2)C1 ZINC001159476304 1034612744 /nfs/dbraw/zinc/61/27/44/1034612744.db2.gz PSKVNMACTSATSP-SFHVURJKSA-N -1 3 382.460 3.675 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)cc1F ZINC001207892115 1034640997 /nfs/dbraw/zinc/64/09/97/1034640997.db2.gz WHFDISMBZVUFGB-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC001231525665 1034679236 /nfs/dbraw/zinc/67/92/36/1034679236.db2.gz DWLZDNPZKSXRNQ-MRXNPFEDSA-N -1 3 396.384 3.945 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)cc1F ZINC001208229500 1034817326 /nfs/dbraw/zinc/81/73/26/1034817326.db2.gz SVTFHCBYURYKFU-SNVBAGLBSA-N -1 3 377.359 3.914 20 0 GHADHM CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277547086 1034845229 /nfs/dbraw/zinc/84/52/29/1034845229.db2.gz CQFXBDCQBBRAFW-HIFRSBDPSA-N -1 3 395.341 3.672 20 0 GHADHM CN(Cc1ccco1)[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)[C@@H]2CCCO[C@H]12 ZINC001231738248 1034872437 /nfs/dbraw/zinc/87/24/37/1034872437.db2.gz PHKZYHHQOPYAQG-GGPKGHCWSA-N -1 3 376.884 3.502 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2oc(CNC(=O)OC(C)(C)C)cc2C)c1[O-] ZINC001160321775 1034939388 /nfs/dbraw/zinc/93/93/88/1034939388.db2.gz YJPTYRRWLSXJAR-UHFFFAOYSA-N -1 3 388.420 3.773 20 0 GHADHM CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160321812 1034939621 /nfs/dbraw/zinc/93/96/21/1034939621.db2.gz ZDWGIUVEIYVCBT-MLGOLLRUSA-N -1 3 378.469 3.863 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccc(Cl)c2)c(F)c1 ZINC001208609875 1034953113 /nfs/dbraw/zinc/95/31/13/1034953113.db2.gz GUQBSDYTDICQRE-UHFFFAOYSA-N -1 3 399.871 3.522 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001160588270 1035010910 /nfs/dbraw/zinc/01/09/10/1035010910.db2.gz NHRSLNCLBCSMQX-OAHLLOKOSA-N -1 3 389.320 3.656 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)[N-]c1nc(-c2ccccc2)no1 ZINC001160685476 1035036552 /nfs/dbraw/zinc/03/65/52/1035036552.db2.gz UGEFGHWFPOZWJA-UHFFFAOYSA-N -1 3 398.419 3.915 20 0 GHADHM C[C@H](CNC(=O)c1c([O-])cccc1O)Sc1ccc(Br)cc1 ZINC001160747419 1035053619 /nfs/dbraw/zinc/05/36/19/1035053619.db2.gz PFPJMVJSVDMQTE-SNVBAGLBSA-N -1 3 382.279 3.771 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001461936620 1069901900 /nfs/dbraw/zinc/90/19/00/1069901900.db2.gz JOZVHUSLLUFAJP-LSDHHAIUSA-N -1 3 390.325 3.645 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001160948783 1035102398 /nfs/dbraw/zinc/10/23/98/1035102398.db2.gz NZUPEIXEJQYBQC-UHFFFAOYSA-N -1 3 386.337 3.543 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001160948783 1035102405 /nfs/dbraw/zinc/10/24/05/1035102405.db2.gz NZUPEIXEJQYBQC-UHFFFAOYSA-N -1 3 386.337 3.543 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCCCC1 ZINC001209013212 1035150324 /nfs/dbraw/zinc/15/03/24/1035150324.db2.gz OVEWULAXECLSGS-UHFFFAOYSA-N -1 3 381.929 3.562 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3F)C2)sc1Cl ZINC001209342464 1035246385 /nfs/dbraw/zinc/24/63/85/1035246385.db2.gz FQNLZYWFWQGGJJ-NSHDSACASA-N -1 3 392.880 3.545 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2c1=O ZINC001161521573 1035249298 /nfs/dbraw/zinc/24/92/98/1035249298.db2.gz QHNLIGWYHHOLSF-UHFFFAOYSA-N -1 3 388.855 3.502 20 0 GHADHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)s1 ZINC001209487906 1035290189 /nfs/dbraw/zinc/29/01/89/1035290189.db2.gz DUFRVQPMUDIPQZ-UHFFFAOYSA-N -1 3 393.559 3.713 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3cccc(I)c3)no2)c(F)c1 ZINC001248142350 1035562312 /nfs/dbraw/zinc/56/23/12/1035562312.db2.gz MDIGIPOOWDUMMY-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC001242448789 1035908612 /nfs/dbraw/zinc/90/86/12/1035908612.db2.gz KAIAYJVSRYHFPC-LJQANCHMSA-N -1 3 376.420 3.591 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC001242448789 1035908615 /nfs/dbraw/zinc/90/86/15/1035908615.db2.gz KAIAYJVSRYHFPC-LJQANCHMSA-N -1 3 376.420 3.591 20 0 GHADHM O=C(NCc1nc(-c2ccc(F)cc2C(F)(F)F)no1)c1ccccc1[O-] ZINC001248499598 1035917859 /nfs/dbraw/zinc/91/78/59/1035917859.db2.gz IQJMAUUAJXSVPM-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM CC(C)(C)C(=O)Nc1ccnc(-c2cccc([S-])c2)c1CN1CC[C@@H](CO)C1 ZINC001242866232 1035976500 /nfs/dbraw/zinc/97/65/00/1035976500.db2.gz OUPOVLKSRROFAJ-OAHLLOKOSA-N -1 3 399.560 3.836 20 0 GHADHM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=O)c1cnc(Cl)cn1 ZINC001462079712 1069983564 /nfs/dbraw/zinc/98/35/64/1069983564.db2.gz FADFGBBTBRMAEE-UHFFFAOYSA-N -1 3 386.260 3.691 20 0 GHADHM NC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC001244812149 1036664236 /nfs/dbraw/zinc/66/42/36/1036664236.db2.gz YDXMAJCHZFKAGR-UHFFFAOYSA-N -1 3 377.469 3.567 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245654702 1036965866 /nfs/dbraw/zinc/96/58/66/1036965866.db2.gz GZOOIMGOBUMDKJ-GOSISDBHSA-N -1 3 388.370 3.528 20 0 GHADHM [O-]c1cc(F)c(CN2CCCC3(CN(CCCC(F)(F)F)C3)C2)c(F)c1 ZINC001278431224 1037193298 /nfs/dbraw/zinc/19/32/98/1037193298.db2.gz WVKQWRIOYHWGBP-UHFFFAOYSA-N -1 3 378.385 3.911 20 0 GHADHM [O-]c1c(F)cc(CN(Cc2cccnc2)C2CCOCC2)cc1Br ZINC001232633556 1038419095 /nfs/dbraw/zinc/41/90/95/1038419095.db2.gz SMFIEWAPSQRCKH-UHFFFAOYSA-N -1 3 395.272 3.870 20 0 GHADHM COC(=O)c1ccc(CC2CCN(Cc3cc([O-])c(F)c(F)c3)CC2)cc1 ZINC001232975284 1038746050 /nfs/dbraw/zinc/74/60/50/1038746050.db2.gz YVPIHQKOFQMVGG-UHFFFAOYSA-N -1 3 375.415 3.912 20 0 GHADHM CC(C)(C)OC(=O)NC1([C@H]2CN(Cc3cc(Cl)ncc3[O-])C[C@@H]2CF)CC1 ZINC001233035854 1038792450 /nfs/dbraw/zinc/79/24/50/1038792450.db2.gz JOXRSFYPINRAQT-KBPBESRZSA-N -1 3 399.894 3.515 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CCN(Cc3cc(Cl)ncc3[O-])C2)C1 ZINC001233036982 1038793137 /nfs/dbraw/zinc/79/31/37/1038793137.db2.gz UNYLUVVRLVGBQX-KXBFYZLASA-N -1 3 399.894 3.612 20 0 GHADHM Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc([O-])c3F)O2)cs1 ZINC001233051563 1038808311 /nfs/dbraw/zinc/80/83/11/1038808311.db2.gz VCEONHGLNYAECQ-YQVWRLOYSA-N -1 3 392.496 3.635 20 0 GHADHM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC001252263175 1038916668 /nfs/dbraw/zinc/91/66/68/1038916668.db2.gz GIAAPOCTUADTBX-WBMJQRKESA-N -1 3 378.806 3.742 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3c(F)ccc([O-])c3F)C1)C2 ZINC001233396111 1039230424 /nfs/dbraw/zinc/23/04/24/1039230424.db2.gz KITBFVDPIMVGSR-IVZQSRNASA-N -1 3 387.426 3.766 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)[C@H](C(F)(F)F)C1 ZINC001233397270 1039233458 /nfs/dbraw/zinc/23/34/58/1039233458.db2.gz RGBROLJPUOQKEX-ZDUSSCGKSA-N -1 3 396.356 3.654 20 0 GHADHM COc1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c1[O-] ZINC001233398441 1039235649 /nfs/dbraw/zinc/23/56/49/1039235649.db2.gz LVWDTHYBEPXALL-UHFFFAOYSA-N -1 3 396.915 3.887 20 0 GHADHM COc1ccc(CN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401232 1039242554 /nfs/dbraw/zinc/24/25/54/1039242554.db2.gz RLZLGPUNNOLCSQ-UHFFFAOYSA-N -1 3 382.888 3.638 20 0 GHADHM COc1ccc(CN2CCN(c3ccccc3Cl)C(=O)C2)c(Cl)c1[O-] ZINC001233401990 1039245557 /nfs/dbraw/zinc/24/55/57/1039245557.db2.gz WVLVDWXNSGNBAA-UHFFFAOYSA-N -1 3 381.259 3.556 20 0 GHADHM COc1cccc(-c2nnc(-c3cc([O-])ccc3I)o2)c1 ZINC001253356748 1039568686 /nfs/dbraw/zinc/56/86/86/1039568686.db2.gz VABRGFNIWPEOLC-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2ccc(F)c(F)c2[O-])cc1 ZINC001253428407 1039624907 /nfs/dbraw/zinc/62/49/07/1039624907.db2.gz DLRAHWXHVHXBIC-AWEZNQCLSA-N -1 3 379.403 3.598 20 0 GHADHM CN1CCC[C@H](Oc2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)CC1 ZINC001233813891 1039636105 /nfs/dbraw/zinc/63/61/05/1039636105.db2.gz MRYMGXKXQJHWMF-INIZCTEOSA-N -1 3 381.428 3.734 20 0 GHADHM CC[C@@H](C)N1CC[C@@]2(CCN(Cc3cc(F)c([O-])c(Br)c3)C2)C1=O ZINC001277830053 1039813577 /nfs/dbraw/zinc/81/35/77/1039813577.db2.gz MMPHRYBBQPKALK-KZULUSFZSA-N -1 3 399.304 3.517 20 0 GHADHM CCN1CCC[C@H](Oc2cc3c(cc2[O-])occ(-c2ccc(O)cc2)c3=O)C1 ZINC001234145708 1039885185 /nfs/dbraw/zinc/88/51/85/1039885185.db2.gz ZJMCBYDCMIVKOD-INIZCTEOSA-N -1 3 381.428 3.734 20 0 GHADHM COC[C@H](C)OC[C@@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234382230 1039992741 /nfs/dbraw/zinc/99/27/41/1039992741.db2.gz SYXJOMPHOWAMDE-LSDHHAIUSA-N -1 3 384.428 3.984 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CNC(=O)C3(C)C)c1C ZINC001254166250 1040019364 /nfs/dbraw/zinc/01/93/64/1040019364.db2.gz AMPHIXAFGPCRBZ-UHFFFAOYSA-N -1 3 386.517 3.628 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690249 1040222241 /nfs/dbraw/zinc/22/22/41/1040222241.db2.gz ATTUTNJCTYMIQE-GOEBONIOSA-N -1 3 385.464 3.874 20 0 GHADHM COc1cc([O-])c(C)c(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1C(C)=O ZINC001234793188 1040324901 /nfs/dbraw/zinc/32/49/01/1040324901.db2.gz NEDANOAUCHGXPX-IBGZPJMESA-N -1 3 399.487 3.582 20 0 GHADHM O=C(NCCC(F)(F)F)[C@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001277918162 1040530186 /nfs/dbraw/zinc/53/01/86/1040530186.db2.gz BAZIEZNBBGDMFE-CYBMUJFWSA-N -1 3 390.833 3.716 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001254771811 1040530871 /nfs/dbraw/zinc/53/08/71/1040530871.db2.gz DTJXPJHROZSLQF-UHFFFAOYSA-N -1 3 388.533 3.751 20 0 GHADHM O=c1c(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)c[n-]c2c(F)cccc12 ZINC001255395892 1040982915 /nfs/dbraw/zinc/98/29/15/1040982915.db2.gz JEMDEMSNGLCFAT-HNNXBMFYSA-N -1 3 390.418 3.707 20 0 GHADHM CCCCCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2O)o1 ZINC001256145350 1041583522 /nfs/dbraw/zinc/58/35/22/1041583522.db2.gz ZZBYBUFJDLJHNU-UHFFFAOYSA-N -1 3 387.461 3.976 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1c(F)c(F)c(OC(C)C)c(F)c1F ZINC001236227161 1041632484 /nfs/dbraw/zinc/63/24/84/1041632484.db2.gz TYPMGFYPPPCGJY-UHFFFAOYSA-N -1 3 382.317 3.886 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1c(F)c(F)c(OC(C)C)c(F)c1F ZINC001236227161 1041632489 /nfs/dbraw/zinc/63/24/89/1041632489.db2.gz TYPMGFYPPPCGJY-UHFFFAOYSA-N -1 3 382.317 3.886 20 0 GHADHM COC(=O)[C@@H]1CN(Cc2ccc(Br)c([O-])c2)C[C@H]1c1ccccc1 ZINC001236684992 1041830247 /nfs/dbraw/zinc/83/02/47/1041830247.db2.gz AOQLNKLDTOBWIW-JKSUJKDBSA-N -1 3 390.277 3.543 20 0 GHADHM C[C@@H]1CN(Cc2ccc(Br)c([O-])c2)CCC[C@@]1(O)C(F)(F)F ZINC001236692507 1041834585 /nfs/dbraw/zinc/83/45/85/1041834585.db2.gz RKPBTZJIQVDCDK-YGRLFVJLSA-N -1 3 382.220 3.680 20 0 GHADHM CCOc1cccc(N2CCN(Cc3ccc(Br)c([O-])c3)CC2)c1 ZINC001236697552 1041838617 /nfs/dbraw/zinc/83/86/17/1041838617.db2.gz FNFBUXGBKSQHHD-UHFFFAOYSA-N -1 3 391.309 3.876 20 0 GHADHM [O-]c1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)ccc1F ZINC001236698655 1041839277 /nfs/dbraw/zinc/83/92/77/1041839277.db2.gz JKOLDMXWOJMUGQ-UHFFFAOYSA-N -1 3 380.257 3.777 20 0 GHADHM CCCc1noc(C2CCN(Cc3ccc(Br)c([O-])c3)CC2)n1 ZINC001236699024 1041840199 /nfs/dbraw/zinc/84/01/99/1041840199.db2.gz QGZYUKSASJULIF-UHFFFAOYSA-N -1 3 380.286 3.870 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)ccc1F ZINC001236705804 1041844224 /nfs/dbraw/zinc/84/42/24/1041844224.db2.gz OUZRTCQXZVUKDV-IBGZPJMESA-N -1 3 395.400 3.803 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(c3c(Cl)cncc3Cl)CC2)s1 ZINC001237163299 1042072781 /nfs/dbraw/zinc/07/27/81/1042072781.db2.gz ANKWXJZAQRHTBY-UHFFFAOYSA-N -1 3 379.700 3.526 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2sc(=O)[n-]c2Cl)C2CC2)C1 ZINC001237167501 1042075324 /nfs/dbraw/zinc/07/53/24/1042075324.db2.gz BFVZYIMMYXRFOP-LBPRGKRZSA-N -1 3 387.933 3.866 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001237276789 1042119580 /nfs/dbraw/zinc/11/95/80/1042119580.db2.gz WRWDTEDIXPOREJ-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM Cc1cn(-c2cc([N-]S(=O)(=O)c3ccc(N)cc3)cc(C(F)(F)F)c2)cn1 ZINC001237657226 1042306860 /nfs/dbraw/zinc/30/68/60/1042306860.db2.gz RPYHMHSUOHGDJE-UHFFFAOYSA-N -1 3 396.394 3.583 20 0 GHADHM [O-]c1c(F)cc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)cc1Cl ZINC001237992059 1042447696 /nfs/dbraw/zinc/44/76/96/1042447696.db2.gz NAKUFLUWJMYBSU-UHFFFAOYSA-N -1 3 390.890 3.857 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC001238142114 1042502115 /nfs/dbraw/zinc/50/21/15/1042502115.db2.gz AOWYHMTUJZBBPU-UHFFFAOYSA-N -1 3 377.444 3.680 20 0 GHADHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(Cl)c([O-])cc1F)[C@@H]2C ZINC001238144755 1042502622 /nfs/dbraw/zinc/50/26/22/1042502622.db2.gz GVCOBGWTUZQIPI-CYBMUJFWSA-N -1 3 380.895 3.798 20 0 GHADHM CN1C(=O)C2(CCN(Cc3cc(Cl)c([O-])cc3F)CC2)[C@@H]1c1ccccc1 ZINC001238146278 1042503622 /nfs/dbraw/zinc/50/36/22/1042503622.db2.gz GLSMPVMBMHJRBV-IBGZPJMESA-N -1 3 388.870 3.980 20 0 GHADHM CCCN(Cc1c(Br)ccc([O-])c1F)C1CCN(C(C)=O)CC1 ZINC001238309311 1042551170 /nfs/dbraw/zinc/55/11/70/1042551170.db2.gz OAAAONWLHQUTQW-UHFFFAOYSA-N -1 3 387.293 3.517 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)c(F)c1)c1ccc(Cl)s1 ZINC001256528107 1043455250 /nfs/dbraw/zinc/45/52/50/1043455250.db2.gz YFLOHXLJZJFLRF-UHFFFAOYSA-N -1 3 389.779 3.918 20 0 GHADHM O=S(=O)([N-]CC1(Cc2ccccc2)CCOCC1)c1ccc(Cl)s1 ZINC001256555953 1043524469 /nfs/dbraw/zinc/52/44/69/1043524469.db2.gz YTLVXLXNOWEVFW-UHFFFAOYSA-N -1 3 385.938 3.719 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC001256562696 1043537192 /nfs/dbraw/zinc/53/71/92/1043537192.db2.gz HSILBHZPRFTGRB-GHMZBOCLSA-N -1 3 392.727 3.998 20 0 GHADHM C[C@H](Cc1ccccc1Br)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001256844101 1043694322 /nfs/dbraw/zinc/69/43/22/1043694322.db2.gz MJEFNIHRKSECDX-LLVKDONJSA-N -1 3 393.247 3.523 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1)c1cccc2ccccc21 ZINC001256979718 1043781780 /nfs/dbraw/zinc/78/17/80/1043781780.db2.gz QCSWIPQNYKSLBN-HXUWFJFHSA-N -1 3 383.469 3.731 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001292553918 1043784702 /nfs/dbraw/zinc/78/47/02/1043784702.db2.gz DFILWOMBDFAHIS-KGLIPLIRSA-N -1 3 394.537 3.880 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1OC ZINC001257109470 1043853852 /nfs/dbraw/zinc/85/38/52/1043853852.db2.gz CIQCJAUCAVAJOW-UHFFFAOYSA-N -1 3 397.321 3.802 20 0 GHADHM CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cn4cc(Cl)cn4)cc3)o2)[n-]1 ZINC001257167774 1043912941 /nfs/dbraw/zinc/91/29/41/1043912941.db2.gz JDYIXFPNQROZSE-UHFFFAOYSA-N -1 3 397.822 3.807 20 0 GHADHM COC(=O)CSCc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001292933643 1043951384 /nfs/dbraw/zinc/95/13/84/1043951384.db2.gz OAYSYWXAUYIPLA-UHFFFAOYSA-N -1 3 385.485 3.930 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC001257284500 1043956071 /nfs/dbraw/zinc/95/60/71/1043956071.db2.gz JKCMXBZHYQGPGO-CYBMUJFWSA-N -1 3 378.252 3.535 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ncon2)cc1)c1c(Cl)cccc1Cl ZINC001257770488 1044162112 /nfs/dbraw/zinc/16/21/12/1044162112.db2.gz FWGYENAUVWGKHZ-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2cccnc21)c1c(Cl)cccc1Cl ZINC001257776000 1044166138 /nfs/dbraw/zinc/16/61/38/1044166138.db2.gz SVKSTRDFLCYUDG-UHFFFAOYSA-N -1 3 397.283 3.899 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)c(F)cc1Br ZINC001462835177 1070583324 /nfs/dbraw/zinc/58/33/24/1070583324.db2.gz RKBKRJXSFBDNOL-UHFFFAOYSA-N -1 3 398.297 3.864 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001294608407 1044725461 /nfs/dbraw/zinc/72/54/61/1044725461.db2.gz ORPPJXBICXTMRD-JTQLQIEISA-N -1 3 382.229 3.663 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(CN2CCCCC2)o1 ZINC001294877769 1044828123 /nfs/dbraw/zinc/82/81/23/1044828123.db2.gz RUFDCHOXKABXPK-UHFFFAOYSA-N -1 3 393.281 3.664 20 0 GHADHM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001294968644 1044858092 /nfs/dbraw/zinc/85/80/92/1044858092.db2.gz LOTHWNFAZMWLMV-HXUWFJFHSA-N -1 3 393.458 3.703 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)c3cnccc13)C(=O)C2 ZINC001258974106 1044914207 /nfs/dbraw/zinc/91/42/07/1044914207.db2.gz PGSRCVIPYFYQHH-BUXKBTBVSA-N -1 3 376.453 3.511 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Cl)c1cc(F)c(F)cc1F ZINC001259034615 1044927352 /nfs/dbraw/zinc/92/73/52/1044927352.db2.gz LXRSFLPTJLGBJA-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)c([O-])c1 ZINC001295173412 1044938055 /nfs/dbraw/zinc/93/80/55/1044938055.db2.gz ZXNOUMGIFTZOSY-SNVBAGLBSA-N -1 3 382.229 3.663 20 0 GHADHM Cc1ccccc1OC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259059645 1044942172 /nfs/dbraw/zinc/94/21/72/1044942172.db2.gz RBBJIGXIRTWWJL-NSHDSACASA-N -1 3 390.324 3.565 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001259062710 1044943885 /nfs/dbraw/zinc/94/38/85/1044943885.db2.gz CACQDUPBZSYVHP-QWRGUYRKSA-N -1 3 392.727 3.998 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2Br)cc1Cl ZINC001259130177 1044973528 /nfs/dbraw/zinc/97/35/28/1044973528.db2.gz BBXISUABIDKEMD-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2Br)cc1Cl ZINC001259130400 1044973653 /nfs/dbraw/zinc/97/36/53/1044973653.db2.gz PEZFDTIIUNVBEO-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCOc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC001259162896 1044985843 /nfs/dbraw/zinc/98/58/43/1044985843.db2.gz OUHDJLRBVBRWBJ-UHFFFAOYSA-N -1 3 385.283 3.660 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccc2F)c1 ZINC001259190806 1044999210 /nfs/dbraw/zinc/99/92/10/1044999210.db2.gz PAVCIINGXUJIEC-UHFFFAOYSA-N -1 3 381.425 3.590 20 0 GHADHM COc1cc(C)ccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)C(F)(F)F ZINC001259207540 1045010495 /nfs/dbraw/zinc/01/04/95/1045010495.db2.gz ZRERUOWVAURFKL-OAHLLOKOSA-N -1 3 377.359 3.725 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1F ZINC000552482540 1045058739 /nfs/dbraw/zinc/05/87/39/1045058739.db2.gz OXVKVNQSZIVBIO-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(-n2cccn2)cc1 ZINC001259362670 1045099695 /nfs/dbraw/zinc/09/96/95/1045099695.db2.gz GBIBQJHEIOYKOV-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259368992 1045103132 /nfs/dbraw/zinc/10/31/32/1045103132.db2.gz IOQRZZJPOIGXRO-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC001259406914 1045128968 /nfs/dbraw/zinc/12/89/68/1045128968.db2.gz WKZZXRKJKNPFNG-UHFFFAOYSA-N -1 3 385.489 3.828 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC001259449880 1045165725 /nfs/dbraw/zinc/16/57/25/1045165725.db2.gz YWYOYYJNKNXNAS-CYBMUJFWSA-N -1 3 397.321 3.576 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1cc(C)cc(C)c1 ZINC001259522772 1045220792 /nfs/dbraw/zinc/22/07/92/1045220792.db2.gz YMKPFWOUWHMTCI-UHFFFAOYSA-N -1 3 388.533 3.751 20 0 GHADHM COc1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c(C(F)(F)F)c1 ZINC001259766568 1045293790 /nfs/dbraw/zinc/29/37/90/1045293790.db2.gz ZUPRRNSBPSIPMN-UHFFFAOYSA-N -1 3 377.359 3.838 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)cc1 ZINC001259773722 1045297120 /nfs/dbraw/zinc/29/71/20/1045297120.db2.gz KJZSWMZJHYYVGG-UHFFFAOYSA-N -1 3 379.453 3.765 20 0 GHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001296619923 1045345107 /nfs/dbraw/zinc/34/51/07/1045345107.db2.gz GQSHEOCOYRRVQP-UHFFFAOYSA-N -1 3 385.460 3.956 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c(OC)c1 ZINC001260011501 1045354546 /nfs/dbraw/zinc/35/45/46/1045354546.db2.gz QYZPEHDKDFLCMB-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM O=c1cc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n(C2CCCC2)[n-]1 ZINC001260027667 1045361847 /nfs/dbraw/zinc/36/18/47/1045361847.db2.gz YKYRTFOJNDILCI-UHFFFAOYSA-N -1 3 389.399 3.665 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccc(Cl)cc2)cc1F ZINC001462905435 1070646806 /nfs/dbraw/zinc/64/68/06/1070646806.db2.gz XHWNIWNIQHCTIR-UHFFFAOYSA-N -1 3 389.851 3.883 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(F)nc3F)c1C)CC(C)(C)O2 ZINC001260245282 1045425040 /nfs/dbraw/zinc/42/50/40/1045425040.db2.gz UGCFJRWZVFIOPF-UHFFFAOYSA-N -1 3 382.432 3.799 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)C(F)(F)F ZINC001260299464 1045450904 /nfs/dbraw/zinc/45/09/04/1045450904.db2.gz DPAJIDHPJLDCDS-OAHLLOKOSA-N -1 3 377.359 3.725 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Cl)c1cccc2nsnc21 ZINC001260382830 1045484987 /nfs/dbraw/zinc/48/49/87/1045484987.db2.gz DXTKXAIQHKOODA-UHFFFAOYSA-N -1 3 394.787 3.559 20 0 GHADHM O=S(=O)([N-]c1ccnc2c1CCC2)c1ccc(Cl)c(Cl)c1Cl ZINC001260426140 1045489798 /nfs/dbraw/zinc/48/97/98/1045489798.db2.gz AHUKFABFEOIFLX-UHFFFAOYSA-N -1 3 377.680 3.753 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1 ZINC001260577356 1045564234 /nfs/dbraw/zinc/56/42/34/1045564234.db2.gz MSVGYWPITHIXSX-UHFFFAOYSA-N -1 3 379.478 3.992 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)OC)cc2)cc1 ZINC001260578104 1045566883 /nfs/dbraw/zinc/56/68/83/1045566883.db2.gz AJKHOHWYCAMALJ-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CCc3ccccn3)c2)cc1C ZINC001260632280 1045581970 /nfs/dbraw/zinc/58/19/70/1045581970.db2.gz OUEWGVWZTFKNLP-UHFFFAOYSA-N -1 3 382.485 3.985 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(F)(c2ccccn2)CC1 ZINC001297604923 1045585762 /nfs/dbraw/zinc/58/57/62/1045585762.db2.gz CNSPZSRIMDXPSV-UHFFFAOYSA-N -1 3 385.826 3.678 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)cc(C)c1Br ZINC001260651058 1045592223 /nfs/dbraw/zinc/59/22/23/1045592223.db2.gz NAKXSUFUIQBKMK-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1Br ZINC001462924928 1070664566 /nfs/dbraw/zinc/66/45/66/1070664566.db2.gz PSKJIEICXFITPU-UHFFFAOYSA-N -1 3 375.226 3.744 20 0 GHADHM O=S(=O)(Cc1ccccc1Cl)Nc1cccc([O-])c1Br ZINC001260696751 1045614499 /nfs/dbraw/zinc/61/44/99/1045614499.db2.gz KYURRUAFXNYYLO-UHFFFAOYSA-N -1 3 376.659 3.750 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)s1 ZINC001462945870 1070680431 /nfs/dbraw/zinc/68/04/31/1070680431.db2.gz OGJVVIXCQYPUFG-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1cnc(OCC2CC2)nc1 ZINC001260819030 1045686142 /nfs/dbraw/zinc/68/61/42/1045686142.db2.gz JUVPEHFFYLRZAN-UHFFFAOYSA-N -1 3 388.276 3.514 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001260823970 1045690254 /nfs/dbraw/zinc/69/02/54/1045690254.db2.gz SQFASHXODWBFGK-UHFFFAOYSA-N -1 3 392.235 4.000 20 0 GHADHM NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC001260823176 1045690641 /nfs/dbraw/zinc/69/06/41/1045690641.db2.gz AANXPIFJYPCGBX-UHFFFAOYSA-N -1 3 393.679 3.688 20 0 GHADHM CCOC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC001260826085 1045693019 /nfs/dbraw/zinc/69/30/19/1045693019.db2.gz UTGVFRGLEUJXOT-UHFFFAOYSA-N -1 3 394.320 3.679 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC001260896601 1045752072 /nfs/dbraw/zinc/75/20/72/1045752072.db2.gz NRPURWFGOOLPIJ-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1ccc(F)cc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC001260909476 1045764204 /nfs/dbraw/zinc/76/42/04/1045764204.db2.gz PGBFMHBAQXWPFU-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=S(=O)([N-]c1ccc(Cn2ccnc2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC001261019305 1045844005 /nfs/dbraw/zinc/84/40/05/1045844005.db2.gz PRCAVYBKTJFTKV-UHFFFAOYSA-N -1 3 399.369 3.890 20 0 GHADHM COc1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)cc1Br ZINC001261039933 1045859894 /nfs/dbraw/zinc/85/98/94/1045859894.db2.gz ABVXBCLEOMAEAN-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C1CCC2(CCCC2)CC1 ZINC001261060868 1045880996 /nfs/dbraw/zinc/88/09/96/1045880996.db2.gz IECAESJQYPPMLN-UHFFFAOYSA-N -1 3 391.942 3.969 20 0 GHADHM CN1Cc2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc2C1=O ZINC001261080603 1045895045 /nfs/dbraw/zinc/89/50/45/1045895045.db2.gz CEPKALNKHNFCOL-UHFFFAOYSA-N -1 3 385.272 3.521 20 0 GHADHM CC(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1[O-] ZINC001298749350 1045937949 /nfs/dbraw/zinc/93/79/49/1045937949.db2.gz XVSCAANLPNFMJC-UHFFFAOYSA-N -1 3 378.222 3.683 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC2(CCOCC2)CC[C@H]1CO ZINC001262640402 1046291096 /nfs/dbraw/zinc/29/10/96/1046291096.db2.gz CTHPXEPKMFCXDR-KRWDZBQOSA-N -1 3 397.471 3.578 20 0 GHADHM COc1ccc(CN2CC[C@H]2CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001301028614 1046295660 /nfs/dbraw/zinc/29/56/60/1046295660.db2.gz WPZCPGSVGRMDPL-IBGZPJMESA-N -1 3 376.456 3.558 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CC(C)(C)c2ccc(OCC(C)C)cc2)s1 ZINC001463059401 1070764019 /nfs/dbraw/zinc/76/40/19/1070764019.db2.gz XWBBQFJSCFSTLM-UHFFFAOYSA-N -1 3 382.551 3.742 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001302169208 1046851922 /nfs/dbraw/zinc/85/19/22/1046851922.db2.gz ZOKIKCSLLZUZKG-OAHLLOKOSA-N -1 3 376.497 3.856 20 0 GHADHM COC(=O)C[C@](C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001302666156 1047034039 /nfs/dbraw/zinc/03/40/39/1047034039.db2.gz FEESTMXGPZDHLK-QHCPKHFHSA-N -1 3 381.472 3.639 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(C)(C)c1ccccc1 ZINC001463154642 1070861092 /nfs/dbraw/zinc/86/10/92/1070861092.db2.gz QZNKQGALECGNMP-SFHVURJKSA-N -1 3 393.480 3.647 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC001263822814 1047155459 /nfs/dbraw/zinc/15/54/59/1047155459.db2.gz VYQNMVMESRJAIM-DFQSSKMNSA-N -1 3 376.456 3.925 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1C(C)C ZINC001303256573 1047326510 /nfs/dbraw/zinc/32/65/10/1047326510.db2.gz KTZRKGCQQQCDBU-CQSZACIVSA-N -1 3 381.476 3.801 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001304131260 1047595087 /nfs/dbraw/zinc/59/50/87/1047595087.db2.gz GADPIZVCDPNGQB-LBPRGKRZSA-N -1 3 396.413 3.998 20 0 GHADHM C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)c1nc(C(F)(F)F)n[n-]1 ZINC001304132316 1047595801 /nfs/dbraw/zinc/59/58/01/1047595801.db2.gz QLNBKTVIKBOXST-ZJUUUORDSA-N -1 3 391.397 3.921 20 0 GHADHM CCc1nc(OC)ccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001304364688 1047661010 /nfs/dbraw/zinc/66/10/10/1047661010.db2.gz VXZJWNKMHCMIHP-UHFFFAOYSA-N -1 3 378.454 3.708 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(F)cc1F ZINC001265749315 1047665929 /nfs/dbraw/zinc/66/59/29/1047665929.db2.gz DJFMSRVBDQSGBG-NSHDSACASA-N -1 3 378.329 3.650 20 0 GHADHM CSc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)ccc1F ZINC001304565432 1047714309 /nfs/dbraw/zinc/71/43/09/1047714309.db2.gz HJDVNEJRZMWMLG-UHFFFAOYSA-N -1 3 385.420 3.880 20 0 GHADHM CSc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)ccc1F ZINC001304565432 1047714312 /nfs/dbraw/zinc/71/43/12/1047714312.db2.gz HJDVNEJRZMWMLG-UHFFFAOYSA-N -1 3 385.420 3.880 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C2(Cc3ccccc3)CC2)[n-]n1 ZINC001304566444 1047714788 /nfs/dbraw/zinc/71/47/88/1047714788.db2.gz VGFUNLSOPNIUSL-UHFFFAOYSA-N -1 3 375.428 3.728 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)C2(Cc3ccccc3)CC2)n[n-]1 ZINC001304566444 1047714793 /nfs/dbraw/zinc/71/47/93/1047714793.db2.gz VGFUNLSOPNIUSL-UHFFFAOYSA-N -1 3 375.428 3.728 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304813417 1047779240 /nfs/dbraw/zinc/77/92/40/1047779240.db2.gz AXYVXVPKQKKJDE-OOFUYWNBSA-N -1 3 380.473 3.648 20 0 GHADHM Cc1ccc(CN2CC3(C[C@H]3C(=O)Nc3nc4c(cccc4[O-])s3)C2)s1 ZINC001279778130 1047947482 /nfs/dbraw/zinc/94/74/82/1047947482.db2.gz OEFUVUJBQQOWLA-ZDUSSCGKSA-N -1 3 385.514 3.832 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C=Cc3ccc4c(c3)OCO4)n[n-]2)cc1 ZINC001305458406 1048065821 /nfs/dbraw/zinc/06/58/21/1048065821.db2.gz RMGMNJIFYBGPRH-CLFYSBASSA-N -1 3 394.456 3.786 20 0 GHADHM CCC(CC)[C@@H](C)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280503741 1048231629 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3.770 20 0 GHADHM O=C([N-]c1nnc(-c2c(Cl)cccc2Cl)s1)c1cn(C2CC2)nn1 ZINC001287574938 1048828840 /nfs/dbraw/zinc/82/88/40/1048828840.db2.gz CMOVFZAPRSQZGR-UHFFFAOYSA-N -1 3 381.248 3.691 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cc(Cl)cc(Cl)c1F ZINC001306892291 1048948083 /nfs/dbraw/zinc/94/80/83/1048948083.db2.gz CDVHEYRKFPHGQE-ZETCQYMHSA-N -1 3 381.190 3.507 20 0 GHADHM CCc1cc2c(nc(C)nc2N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])s1 ZINC001307152565 1049106774 /nfs/dbraw/zinc/10/67/74/1049106774.db2.gz GEPCGBJQEHYPCS-QWRGUYRKSA-N -1 3 385.493 3.738 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001289108812 1049326904 /nfs/dbraw/zinc/32/69/04/1049326904.db2.gz YSRIAQFREDKGCJ-UHFFFAOYSA-N -1 3 398.291 3.933 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001289108812 1049326912 /nfs/dbraw/zinc/32/69/12/1049326912.db2.gz YSRIAQFREDKGCJ-UHFFFAOYSA-N -1 3 398.291 3.933 20 0 GHADHM CCC(CC)(C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001289870008 1049665359 /nfs/dbraw/zinc/66/53/59/1049665359.db2.gz BNQPDUUNRGNRGC-ZBFHGGJFSA-N -1 3 384.442 3.660 20 0 GHADHM CN(CCOc1ccccc1Cl)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001290277465 1049788110 /nfs/dbraw/zinc/78/81/10/1049788110.db2.gz OYFLCOUUPZCQNG-UHFFFAOYSA-N -1 3 391.254 3.986 20 0 GHADHM COc1ccc(OCCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001290336420 1049806695 /nfs/dbraw/zinc/80/66/95/1049806695.db2.gz LHFCYXNVXYXRPP-UHFFFAOYSA-N -1 3 391.467 3.995 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001290405831 1049830083 /nfs/dbraw/zinc/83/00/83/1049830083.db2.gz YDAFKSOPBYVGGP-NSHDSACASA-N -1 3 391.353 3.583 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001290405831 1049830094 /nfs/dbraw/zinc/83/00/94/1049830094.db2.gz YDAFKSOPBYVGGP-NSHDSACASA-N -1 3 391.353 3.583 20 0 GHADHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001290514532 1049865308 /nfs/dbraw/zinc/86/53/08/1049865308.db2.gz PGMSACSUHWODEC-UHFFFAOYSA-N -1 3 390.439 3.973 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1Cl ZINC001290519985 1049868015 /nfs/dbraw/zinc/86/80/15/1049868015.db2.gz JEPYGBSOAHLWGE-KRWDZBQOSA-N -1 3 388.899 3.526 20 0 GHADHM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC001290596851 1049885417 /nfs/dbraw/zinc/88/54/17/1049885417.db2.gz GDYUYJGDIFVMAH-UHFFFAOYSA-N -1 3 386.448 3.525 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(SC(F)(F)F)o1 ZINC001290622550 1049888403 /nfs/dbraw/zinc/88/84/03/1049888403.db2.gz MGSCFBQGMOOZJA-UHFFFAOYSA-N -1 3 380.369 3.515 20 0 GHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1c(C)nn2cccnc12)c1cccs1 ZINC001309084117 1050333901 /nfs/dbraw/zinc/33/39/01/1050333901.db2.gz ODWIYNBQCYRSIK-HNNXBMFYSA-N -1 3 378.523 3.555 20 0 GHADHM C[C@H](COc1ccc(F)cc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001309088054 1050340057 /nfs/dbraw/zinc/34/00/57/1050340057.db2.gz PTUFONCJJCSAEP-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC001309188303 1050448538 /nfs/dbraw/zinc/44/85/38/1050448538.db2.gz TVIZGPZPAZBSSR-HOTGVXAUSA-N -1 3 375.918 3.688 20 0 GHADHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001309205424 1050471218 /nfs/dbraw/zinc/47/12/18/1050471218.db2.gz FUTXEPAPSSRDII-AWEZNQCLSA-N -1 3 388.942 3.947 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1ccc(F)cc1C ZINC001309286173 1050556725 /nfs/dbraw/zinc/55/67/25/1050556725.db2.gz ZGMPINZDYFTYOO-UHFFFAOYSA-N -1 3 392.315 3.788 20 0 GHADHM O=S(=O)([N-][C@@H](CN1CCCCC1)c1ccccc1)c1sccc1Cl ZINC001309402279 1050682821 /nfs/dbraw/zinc/68/28/21/1050682821.db2.gz DDGLSUVBKLNEGI-INIZCTEOSA-N -1 3 384.954 3.907 20 0 GHADHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309428530 1050712698 /nfs/dbraw/zinc/71/26/98/1050712698.db2.gz GXQSQXPYTOAJRE-CVEARBPZSA-N -1 3 380.535 3.682 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1CC(C(C)(C)C)C1 ZINC001309536245 1050791495 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20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001333346942 1051724361 /nfs/dbraw/zinc/72/43/61/1051724361.db2.gz XHLXNLPPSDWSMJ-SFHVURJKSA-N -1 3 396.516 3.754 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001333356708 1051725310 /nfs/dbraw/zinc/72/53/10/1051725310.db2.gz HORLPEZNKZGDFM-UHFFFAOYSA-N -1 3 391.393 3.758 20 0 GHADHM O=C([O-])[C@@]1(F)CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC12CCC2 ZINC001334795461 1051980467 /nfs/dbraw/zinc/98/04/67/1051980467.db2.gz YTCDFPMQTNQAAL-SFHVURJKSA-N -1 3 397.372 3.670 20 0 GHADHM O=C([O-])[C@H](CCSc1ccccc1)NCc1ccncc1Br ZINC001334841225 1051989397 /nfs/dbraw/zinc/98/93/97/1051989397.db2.gz KVAAYGOEVMFYJS-HNNXBMFYSA-N -1 3 381.295 3.569 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1(CCOCc2ccccc2)CC1 ZINC001337378782 1052460798 /nfs/dbraw/zinc/46/07/98/1052460798.db2.gz WUSHZXKEWULQAY-UHFFFAOYSA-N -1 3 394.427 3.873 20 0 GHADHM Cc1ccc(F)c(CCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001312296323 1052682801 /nfs/dbraw/zinc/68/28/01/1052682801.db2.gz RWXMOZJODUTCJW-UHFFFAOYSA-N -1 3 381.245 3.644 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]3C3CCC3)n2Cc2cccs2)cc(=O)[n-]1 ZINC001343544005 1053861267 /nfs/dbraw/zinc/86/12/67/1053861267.db2.gz NEJADUPIFJUJNU-KRWDZBQOSA-N -1 3 396.520 3.628 20 0 GHADHM Cc1ccc(Cc2cnc(NC(=O)CCc3c(C)nc[n-]c3=O)s2)cc1F ZINC001317803532 1054261214 /nfs/dbraw/zinc/26/12/14/1054261214.db2.gz MGSZULAATVSNHF-UHFFFAOYSA-N -1 3 386.452 3.557 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2c(cccc2OC(F)(F)F)[nH]1 ZINC001317915784 1054308513 /nfs/dbraw/zinc/30/85/13/1054308513.db2.gz SFAPKQPYCDARBT-UHFFFAOYSA-N -1 3 377.282 3.697 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC(C)(C)c1ccc(OCC(C)C)cc1 ZINC001318337164 1054575305 /nfs/dbraw/zinc/57/53/05/1054575305.db2.gz XTLXSAUBKNEEOD-UHFFFAOYSA-N -1 3 385.508 3.552 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001318486732 1054671656 /nfs/dbraw/zinc/67/16/56/1054671656.db2.gz VUAUHSFNRCGTGJ-STQMWFEESA-N -1 3 389.293 3.943 20 0 GHADHM CC(C)CC(=O)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001318940256 1054956876 /nfs/dbraw/zinc/95/68/76/1054956876.db2.gz DXXJNNGSMBCDRI-UHFFFAOYSA-N -1 3 382.460 3.515 20 0 GHADHM Cc1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)c(OCCCC(C)C)c1 ZINC001319086377 1055029883 /nfs/dbraw/zinc/02/98/83/1055029883.db2.gz MAFHDOFXNHTHAX-UHFFFAOYSA-N -1 3 385.508 3.863 20 0 GHADHM Cc1ccccc1C(F)(F)C(=O)[N-]CC(=O)Nc1ccc(Br)cc1 ZINC001319601634 1055353343 /nfs/dbraw/zinc/35/33/43/1055353343.db2.gz QPAAOZCZRUKOJI-UHFFFAOYSA-N -1 3 397.219 3.604 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1 ZINC001321202467 1056155767 /nfs/dbraw/zinc/15/57/67/1056155767.db2.gz NDLGGIBPYFZKDW-UHFFFAOYSA-N -1 3 388.420 3.512 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nnc(-c2ccccc2F)o1 ZINC001322062300 1056497641 /nfs/dbraw/zinc/49/76/41/1056497641.db2.gz BDWANVDLSCLEQQ-SNVBAGLBSA-N -1 3 381.816 3.569 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC001324733317 1057215170 /nfs/dbraw/zinc/21/51/70/1057215170.db2.gz LWRMQAMHYGALRP-ZETCQYMHSA-N -1 3 385.820 3.558 20 0 GHADHM COc1ccc2cc(C(=O)OCc3noc(-c4ccccc4[O-])n3)ccc2c1 ZINC001324771997 1057223475 /nfs/dbraw/zinc/22/34/75/1057223475.db2.gz JTYUEVBMSJNWCG-UHFFFAOYSA-N -1 3 376.368 3.961 20 0 GHADHM COc1ccc(C(C)C)cc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000848701320 1057250257 /nfs/dbraw/zinc/25/02/57/1057250257.db2.gz RJDVMDNFUBQUKQ-IBGZPJMESA-N -1 3 397.471 3.872 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)OC(C)(C)C ZINC001355737595 1057264338 /nfs/dbraw/zinc/26/43/38/1057264338.db2.gz FYTZHYKJIMILRX-GFCCVEGCSA-N -1 3 377.815 3.677 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2cccc(C)c2C)CC1 ZINC001356274914 1057456550 /nfs/dbraw/zinc/45/65/50/1057456550.db2.gz BAWJPSXOYKBCBY-UHFFFAOYSA-N -1 3 390.491 3.680 20 0 GHADHM CCc1nocc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001356461938 1057519009 /nfs/dbraw/zinc/51/90/09/1057519009.db2.gz VETKDDUXZNRAGB-UHFFFAOYSA-N -1 3 399.472 3.907 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1coc([C@@H]2CCCN2)n1 ZINC001357217520 1057638227 /nfs/dbraw/zinc/63/82/27/1057638227.db2.gz ZUKZWPJZGSBTMI-NSHDSACASA-N -1 3 375.841 3.523 20 0 GHADHM CCOc1cc(C(=O)N2CCC[C@H]2CNc2cccc(C)n2)cc(Cl)c1[O-] ZINC001337941984 1058338814 /nfs/dbraw/zinc/33/88/14/1058338814.db2.gz KSJITXNATQBGEK-HNNXBMFYSA-N -1 3 389.883 3.864 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3C(F)(F)F)nc21 ZINC001439996005 1058379151 /nfs/dbraw/zinc/37/91/51/1058379151.db2.gz HHSTZTLGGCUXHJ-UHFFFAOYSA-N -1 3 391.349 3.940 20 0 GHADHM Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001338302353 1058503293 /nfs/dbraw/zinc/50/32/93/1058503293.db2.gz RUEVPZJYLIVDSK-CYBMUJFWSA-N -1 3 379.342 3.536 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1ccc(C)cc1F ZINC001440657432 1058563129 /nfs/dbraw/zinc/56/31/29/1058563129.db2.gz FKPVITZMZUVTGZ-UHFFFAOYSA-N -1 3 393.374 3.693 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001440670736 1058571168 /nfs/dbraw/zinc/57/11/68/1058571168.db2.gz AADGFTGHPZYDRH-UHFFFAOYSA-N -1 3 394.471 3.788 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)c1cccc2ccccc21 ZINC001442250410 1058938347 /nfs/dbraw/zinc/93/83/47/1058938347.db2.gz KBGOICUCHSOBED-UHFFFAOYSA-N -1 3 398.466 3.889 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001444249475 1059288881 /nfs/dbraw/zinc/28/88/81/1059288881.db2.gz SDXUZPNYTYMYTF-DOTOQJQBSA-N -1 3 376.497 3.768 20 0 GHADHM Cc1ccc(N2CCC[C@@H](NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)cc1 ZINC001444789510 1059379653 /nfs/dbraw/zinc/37/96/53/1059379653.db2.gz XZKPSIXAFICCTL-OAHLLOKOSA-N -1 3 397.425 3.514 20 0 GHADHM CCc1cccc(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)c1[O-] ZINC001446422799 1059773755 /nfs/dbraw/zinc/77/37/55/1059773755.db2.gz CLXIOAQTDOIIFD-UHFFFAOYSA-N -1 3 382.382 3.956 20 0 GHADHM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc([O-])cc(Br)c1 ZINC001446650670 1059825822 /nfs/dbraw/zinc/82/58/22/1059825822.db2.gz KBQSKJHTPVGRQR-INIZCTEOSA-N -1 3 378.266 3.568 20 0 GHADHM O=C([N-][C@H]1CC(=O)c2ccccc21)C(F)(F)c1ccc(Br)cc1 ZINC001446921601 1059904515 /nfs/dbraw/zinc/90/45/15/1059904515.db2.gz GCJMZJFPXCIJLY-AWEZNQCLSA-N -1 3 380.188 3.985 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2coc3c2ccc(F)c3F)c([O-])c1 ZINC001447061019 1059924126 /nfs/dbraw/zinc/92/41/26/1059924126.db2.gz KTYSTCLHFZAGDK-UHFFFAOYSA-N -1 3 375.327 3.775 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(CCC(F)(F)F)n1 ZINC001447280598 1059943421 /nfs/dbraw/zinc/94/34/21/1059943421.db2.gz XMBXMMALXWFRKV-UHFFFAOYSA-N -1 3 378.148 3.556 20 0 GHADHM CCc1cccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1[O-] ZINC001447434796 1059964751 /nfs/dbraw/zinc/96/47/51/1059964751.db2.gz LFCQOCVNQYWAHE-PXNSSMCTSA-N -1 3 381.472 3.736 20 0 GHADHM CCOCCC1(C(=O)Nc2ccc(I)cc2[O-])CCC1 ZINC001447630325 1059991970 /nfs/dbraw/zinc/99/19/70/1059991970.db2.gz ZNKPRGGVDLBWDU-UHFFFAOYSA-N -1 3 389.233 3.532 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001449200957 1060351018 /nfs/dbraw/zinc/35/10/18/1060351018.db2.gz WXRGRDBJWKYMDW-WCXIOVBPSA-N -1 3 395.503 3.856 20 0 GHADHM COc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC001449682726 1060443958 /nfs/dbraw/zinc/44/39/58/1060443958.db2.gz BTKOIZWBVWYOTB-UHFFFAOYSA-N -1 3 384.432 3.904 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450078004 1060525765 /nfs/dbraw/zinc/52/57/65/1060525765.db2.gz WGTMJDXOJWFNFQ-CQSZACIVSA-N -1 3 390.277 3.868 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)nc2)c1 ZINC001450914731 1060716097 /nfs/dbraw/zinc/71/60/97/1060716097.db2.gz BVKKBLPUVRUQTA-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)nc2)c1 ZINC001450914731 1060716105 /nfs/dbraw/zinc/71/61/05/1060716105.db2.gz BVKKBLPUVRUQTA-UHFFFAOYSA-N -1 3 386.415 3.539 20 0 GHADHM O=C(NCc1nnc(C2CC2)s1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001451528112 1060790448 /nfs/dbraw/zinc/79/04/48/1060790448.db2.gz LTHKERFPNTXOPN-UHFFFAOYSA-N -1 3 379.485 3.836 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CC2CCC1CC2 ZINC001341684846 1060810223 /nfs/dbraw/zinc/81/02/23/1060810223.db2.gz SDINIBQVYSFYPK-UHFFFAOYSA-N -1 3 388.464 3.641 20 0 GHADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001452719625 1060993066 /nfs/dbraw/zinc/99/30/66/1060993066.db2.gz AVWZYUIKMSFUND-UHFFFAOYSA-N -1 3 391.496 3.681 20 0 GHADHM O=C(Nc1nnc(Cc2ccccc2)s1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001452983425 1061057048 /nfs/dbraw/zinc/05/70/48/1061057048.db2.gz HERGEUHUMPQCGL-UHFFFAOYSA-N -1 3 396.859 3.876 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC001346409168 1061551376 /nfs/dbraw/zinc/55/13/76/1061551376.db2.gz MLOKJRATGHBHRO-FUHWJXTLSA-N -1 3 384.476 3.661 20 0 GHADHM CN(C)C(=O)NCCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001454596744 1061870943 /nfs/dbraw/zinc/87/09/43/1061870943.db2.gz KGVMKTYVTWUNNA-UHFFFAOYSA-N -1 3 377.444 3.611 20 0 GHADHM CCCOc1ccc(C(=O)Nc2nnc(OCC)[n-]2)c(OCc2ccccc2)c1 ZINC001454981846 1061967098 /nfs/dbraw/zinc/96/70/98/1061967098.db2.gz KMJHSLIWEATDCF-UHFFFAOYSA-N -1 3 396.447 3.824 20 0 GHADHM CCCOc1ccc(C(=O)Nc2n[n-]c(OCC)n2)c(OCc2ccccc2)c1 ZINC001454981846 1061967100 /nfs/dbraw/zinc/96/71/00/1061967100.db2.gz KMJHSLIWEATDCF-UHFFFAOYSA-N -1 3 396.447 3.824 20 0 GHADHM CCCOc1ccc(C(=O)Nc2nc(OCC)n[n-]2)c(OCc2ccccc2)c1 ZINC001454981846 1061967109 /nfs/dbraw/zinc/96/71/09/1061967109.db2.gz KMJHSLIWEATDCF-UHFFFAOYSA-N -1 3 396.447 3.824 20 0 GHADHM CN1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1c1ccc(F)cc1 ZINC001545813508 1062016236 /nfs/dbraw/zinc/01/62/36/1062016236.db2.gz IXFUMCPDKVJFFS-PMACEKPBSA-N -1 3 380.419 3.565 20 0 GHADHM COc1ccc(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1O ZINC001455419536 1062138174 /nfs/dbraw/zinc/13/81/74/1062138174.db2.gz FIQVHVBWXYGCIW-UHFFFAOYSA-N -1 3 391.467 3.864 20 0 GHADHM O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001455424032 1062139770 /nfs/dbraw/zinc/13/97/70/1062139770.db2.gz LTIVDDBJKWCGPP-FQEVSTJZSA-N -1 3 395.886 3.970 20 0 GHADHM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001347495254 1062435536 /nfs/dbraw/zinc/43/55/36/1062435536.db2.gz CTNXKBPBVQXHLG-JPYJTQIMSA-N -1 3 386.536 3.829 20 0 GHADHM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001347495253 1062435778 /nfs/dbraw/zinc/43/57/78/1062435778.db2.gz CTNXKBPBVQXHLG-FDDCHVKYSA-N -1 3 386.536 3.829 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2[C@H](C)CC3(C)C)c(C)o1 ZINC001456068256 1062463610 /nfs/dbraw/zinc/46/36/10/1062463610.db2.gz PBJALNVUPJJTHR-LLVKDONJSA-N -1 3 376.478 3.533 20 0 GHADHM Cc1oc(C(C)C)cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001347523043 1062464618 /nfs/dbraw/zinc/46/46/18/1062464618.db2.gz VSHIQBUAMLQPLJ-QFIPXVFZSA-N -1 3 384.476 3.561 20 0 GHADHM CC[S@@](=O)(=NC(=O)c1c(C)[n-]c(=O)nc1SC)c1cccc(Cl)c1 ZINC001347598039 1062515623 /nfs/dbraw/zinc/51/56/23/1062515623.db2.gz XDPZXDHKEZHWRG-DEOSSOPVSA-N -1 3 385.898 3.553 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c1 ZINC001347754991 1062626655 /nfs/dbraw/zinc/62/66/55/1062626655.db2.gz IHXRGKCRTWBSCW-VTJXTGGHSA-N -1 3 380.444 3.507 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2c(F)cc(Br)cc2F)o1 ZINC001456944779 1062926357 /nfs/dbraw/zinc/92/63/57/1062926357.db2.gz JSVQJDMLIPXFJD-HYXAFXHYSA-N -1 3 386.148 3.759 20 0 GHADHM Cc1cc(OCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc(C)c1Cl ZINC001456944070 1062926915 /nfs/dbraw/zinc/92/69/15/1062926915.db2.gz AWYGJLNZECXZBZ-SHTZXODSSA-N -1 3 389.883 3.674 20 0 GHADHM CCCCc1nc(NC(=O)CCc2ccc(N(C)C)cc2)c(C(=O)OCC)[n-]1 ZINC001435886595 1062981871 /nfs/dbraw/zinc/98/18/71/1062981871.db2.gz BGCCYIJNWLOXCZ-UHFFFAOYSA-N -1 3 386.496 3.566 20 0 GHADHM Cc1ccc2[nH]cc(CCNC(=O)c3c[n-]c4c(Cl)cccc4c3=O)c2c1 ZINC001457115539 1062981954 /nfs/dbraw/zinc/98/19/54/1062981954.db2.gz YMPADTGYVLWRRR-UHFFFAOYSA-N -1 3 379.847 3.944 20 0 GHADHM COc1ccccc1OC[C@@H](C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC001545899735 1063551707 /nfs/dbraw/zinc/55/17/07/1063551707.db2.gz XTKGQSRPIPZAJH-LBPRGKRZSA-N -1 3 394.265 3.608 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(OC(C)C)c1 ZINC001436648766 1063592475 /nfs/dbraw/zinc/59/24/75/1063592475.db2.gz IZNMAXJQZNKTIM-UHFFFAOYSA-N -1 3 399.426 3.834 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(OC(C)C)c1 ZINC001436648766 1063592489 /nfs/dbraw/zinc/59/24/89/1063592489.db2.gz IZNMAXJQZNKTIM-UHFFFAOYSA-N -1 3 399.426 3.834 20 0 GHADHM Cc1cc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)ccc1Cl ZINC001458259806 1063701239 /nfs/dbraw/zinc/70/12/39/1063701239.db2.gz VCWZDQVWCHZHDM-UHFFFAOYSA-N -1 3 399.871 3.831 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)cc(OC)c2)c(C(=O)OCC)[n-]1 ZINC001458955705 1063968310 /nfs/dbraw/zinc/96/83/10/1063968310.db2.gz QKYVSGLEBADYRQ-UHFFFAOYSA-N -1 3 379.844 3.843 20 0 GHADHM CCCCC[C@H](CC)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001438532665 1064064721 /nfs/dbraw/zinc/06/47/21/1064064721.db2.gz SSAHALVSZYSDIF-LBPRGKRZSA-N -1 3 375.560 3.765 20 0 GHADHM COc1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)ccc1Cl ZINC001350602108 1064137084 /nfs/dbraw/zinc/13/70/84/1064137084.db2.gz UGAJQNUNHYAUJU-CABCVRRESA-N -1 3 381.806 3.927 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1c(F)cc(F)c(F)c1F ZINC001463653417 1064529690 /nfs/dbraw/zinc/52/96/90/1064529690.db2.gz XMUNSOYAMUCRAT-UHFFFAOYSA-N -1 3 385.741 3.655 20 0 GHADHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC001463709941 1064563576 /nfs/dbraw/zinc/56/35/76/1064563576.db2.gz YRNUHFROODNEIM-DLBZAZTESA-N -1 3 375.421 3.723 20 0 GHADHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)N(CC)CC)cc1 ZINC001463791749 1064621785 /nfs/dbraw/zinc/62/17/85/1064621785.db2.gz IYYRQDVOTOJPIS-LJQANCHMSA-N -1 3 396.503 3.889 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2sc(Br)cc2C)CCCCC1 ZINC001463827159 1064652983 /nfs/dbraw/zinc/65/29/83/1064652983.db2.gz ALRLYHMCGWVBFZ-UHFFFAOYSA-N -1 3 396.372 3.694 20 0 GHADHM Cc1nc([C@@](C)([N-]C(=O)C(F)(F)c2ccccc2OC(C)C)C2CC2)no1 ZINC000847069682 1064653414 /nfs/dbraw/zinc/65/34/14/1064653414.db2.gz NKKNHKFHEKLLBN-SFHVURJKSA-N -1 3 379.407 3.699 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C1(CO)CCCC1 ZINC001463841594 1064663554 /nfs/dbraw/zinc/66/35/54/1064663554.db2.gz IYDYWLOQEQZKHR-QGZVFWFLSA-N -1 3 394.562 3.666 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H](O)C(C)C ZINC001463881703 1064691715 /nfs/dbraw/zinc/69/17/15/1064691715.db2.gz GWWZTMZYJJUXRM-HIFRSBDPSA-N -1 3 388.942 3.537 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC001463904848 1064708065 /nfs/dbraw/zinc/70/80/65/1064708065.db2.gz YYMXLYHSWFKDQL-OCCSQVGLSA-N -1 3 399.921 3.803 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)C1CCCCCC1 ZINC001463968836 1064744531 /nfs/dbraw/zinc/74/45/31/1064744531.db2.gz HVQGQHKUSJTCLC-UHFFFAOYSA-N -1 3 395.459 3.788 20 0 GHADHM COC(=O)c1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001463969191 1064744621 /nfs/dbraw/zinc/74/46/21/1064744621.db2.gz VGQUVLJGHXRUKN-UHFFFAOYSA-N -1 3 389.451 3.894 20 0 GHADHM O=C(Nc1ccc(Cl)nc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001463981360 1064751673 /nfs/dbraw/zinc/75/16/73/1064751673.db2.gz LMQYDVDGMMJAOC-UHFFFAOYSA-N -1 3 378.613 3.591 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC001464022135 1064774254 /nfs/dbraw/zinc/77/42/54/1064774254.db2.gz AMGGVMXIXVLSMD-UHFFFAOYSA-N -1 3 383.448 3.732 20 0 GHADHM O=C(NCc1cccnc1OC1CCCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001464132692 1064846011 /nfs/dbraw/zinc/84/60/11/1064846011.db2.gz NYSVWGLCCUKUJY-UHFFFAOYSA-N -1 3 397.862 3.828 20 0 GHADHM CC(C)(C)c1ccc(C(F)(F)C(=O)[N-]c2nnc3ccc(Cl)nn32)cc1 ZINC001352224266 1064935980 /nfs/dbraw/zinc/93/59/80/1064935980.db2.gz SESHTWLNURRCKB-UHFFFAOYSA-N -1 3 379.798 3.806 20 0 GHADHM CN(C)[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC001464486205 1065040750 /nfs/dbraw/zinc/04/07/50/1065040750.db2.gz WVULTVULIWWMJN-CQSZACIVSA-N -1 3 394.846 3.654 20 0 GHADHM COc1cccc(N(CC(C)C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC001464537989 1065069991 /nfs/dbraw/zinc/06/99/91/1065069991.db2.gz WPHGQCJLQFRKHB-UHFFFAOYSA-N -1 3 384.476 3.518 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3c(OC)c2)s1 ZINC001464736117 1065181715 /nfs/dbraw/zinc/18/17/15/1065181715.db2.gz GGUKRJRVOXXVIQ-LBPRGKRZSA-N -1 3 376.503 3.907 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001464882145 1065258566 /nfs/dbraw/zinc/25/85/66/1065258566.db2.gz GPILYXPRCUIHAN-CNYBTUBUSA-N -1 3 387.892 3.570 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC001300128601 1065363895 /nfs/dbraw/zinc/36/38/95/1065363895.db2.gz IRTCMDSNMCXTHO-UHFFFAOYSA-N -1 3 395.846 3.850 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300196250 1065640480 /nfs/dbraw/zinc/64/04/80/1065640480.db2.gz UYOWQLUWJDALDE-CYBMUJFWSA-N -1 3 386.452 3.624 20 0 GHADHM CC(C)(C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001300197982 1065647550 /nfs/dbraw/zinc/64/75/50/1065647550.db2.gz NMCGMUKYZSZUMK-UHFFFAOYSA-N -1 3 379.485 3.732 20 0 GHADHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001465491509 1065661822 /nfs/dbraw/zinc/66/18/22/1065661822.db2.gz YKJAOVCGVYYSDF-UHFFFAOYSA-N -1 3 395.286 3.908 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cccc1C(F)(F)F ZINC001465835540 1065888814 /nfs/dbraw/zinc/88/88/14/1065888814.db2.gz YZEBAYBBBDGVHZ-UHFFFAOYSA-N -1 3 376.342 3.762 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cccc1C(F)(F)F ZINC001465835540 1065888828 /nfs/dbraw/zinc/88/88/28/1065888828.db2.gz YZEBAYBBBDGVHZ-UHFFFAOYSA-N -1 3 376.342 3.762 20 0 GHADHM C[C@H](c1ccccc1)n1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n1 ZINC001465934446 1065929166 /nfs/dbraw/zinc/92/91/66/1065929166.db2.gz BTCIYCPGVKFSOW-GFCCVEGCSA-N -1 3 394.381 3.864 20 0 GHADHM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC001465956630 1065937236 /nfs/dbraw/zinc/93/72/36/1065937236.db2.gz QFDQFIDFYPGZCY-RDTXWAMCSA-N -1 3 378.241 3.888 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001466137819 1065993703 /nfs/dbraw/zinc/99/37/03/1065993703.db2.gz MZNBMKPBIKYVOE-IERDGZPVSA-N -1 3 378.513 3.852 20 0 GHADHM CC1(C)OC(=O)c2c1cccc2C(=O)Nc1cc(Br)ccc1[O-] ZINC001466633374 1066224894 /nfs/dbraw/zinc/22/48/94/1066224894.db2.gz XARDPJZUDLDVOB-UHFFFAOYSA-N -1 3 376.206 3.813 20 0 GHADHM CCOC(=O)[C@@]1([N-]C(=O)C(F)(F)c2cccc(Cl)c2)CCc2ccccc21 ZINC001353785148 1066251963 /nfs/dbraw/zinc/25/19/63/1066251963.db2.gz PSLHJYRTEVUTNS-LJQANCHMSA-N -1 3 393.817 3.953 20 0 GHADHM CC[C@H](C)CC[C@H](O)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001466940333 1066402731 /nfs/dbraw/zinc/40/27/31/1066402731.db2.gz QWAHFPIEIAWPRO-FZMZJTMJSA-N -1 3 376.266 3.713 20 0 GHADHM CCc1nc2ccc(NC(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2s1 ZINC001466946890 1066407006 /nfs/dbraw/zinc/40/70/06/1066407006.db2.gz SVUGYLZOSSGUOG-UHFFFAOYSA-N -1 3 379.449 3.607 20 0 GHADHM CCc1nc2ccc(NC(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2s1 ZINC001466946890 1066407018 /nfs/dbraw/zinc/40/70/18/1066407018.db2.gz SVUGYLZOSSGUOG-UHFFFAOYSA-N -1 3 379.449 3.607 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(SC(F)(F)F)nc3)nc21 ZINC001357295913 1067035806 /nfs/dbraw/zinc/03/58/06/1067035806.db2.gz OWNDRMGDGMWLPP-UHFFFAOYSA-N -1 3 396.350 3.609 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OC4CCCC4)c3)nc21 ZINC001357296847 1067036573 /nfs/dbraw/zinc/03/65/73/1067036573.db2.gz XYQOWWGBPLZUDB-UHFFFAOYSA-N -1 3 379.416 3.923 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1cccc(Cl)c1)C(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001467197129 1067143558 /nfs/dbraw/zinc/14/35/58/1067143558.db2.gz BEZBVIUTPBLXGV-IMTBSYHQSA-N -1 3 397.735 3.844 20 0 GHADHM CN1C(=O)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1c1ccccc1 ZINC001467249181 1067178015 /nfs/dbraw/zinc/17/80/15/1067178015.db2.gz BDRZEFFDQSTHHN-QHCPKHFHSA-N -1 3 386.451 3.596 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(OCC4CC4)nc3)c2)n1 ZINC001357609130 1067192369 /nfs/dbraw/zinc/19/23/69/1067192369.db2.gz JUQKPTQPWQAETE-UHFFFAOYSA-N -1 3 377.400 3.561 20 0 GHADHM COc1ccc(Cn2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)n2)cc1 ZINC001467309300 1067216653 /nfs/dbraw/zinc/21/66/53/1067216653.db2.gz OLQKSFLXVAUBKH-UHFFFAOYSA-N -1 3 377.444 3.777 20 0 GHADHM CCC1(CC)CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001467683561 1067417923 /nfs/dbraw/zinc/41/79/23/1067417923.db2.gz LPGDQTRZKSANOT-UHFFFAOYSA-N -1 3 392.974 3.545 20 0 GHADHM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001468600205 1067785486 /nfs/dbraw/zinc/78/54/86/1067785486.db2.gz CVXKTUNQNHLVFT-UHFFFAOYSA-N -1 3 395.411 3.590 20 0 GHADHM Cc1coc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc4c3CCN(C)C4)c2)n1 ZINC000849307371 1067794836 /nfs/dbraw/zinc/79/48/36/1067794836.db2.gz QWLNLUYBYVVRFG-UHFFFAOYSA-N -1 3 397.500 3.747 20 0 GHADHM CCC[C@H](C(=O)OCC)n1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000849321828 1067799203 /nfs/dbraw/zinc/79/92/03/1067799203.db2.gz CFNKWZBCCLNRGH-MRXNPFEDSA-N -1 3 399.447 3.520 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)Cc3cc(Cl)cc4ccccc43)cc2n(C)c1=O ZINC001468637483 1067800424 /nfs/dbraw/zinc/80/04/24/1067800424.db2.gz HKIYJUYWVITEPM-UHFFFAOYSA-N -1 3 395.846 3.570 20 0 GHADHM O=Cc1ccccc1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F ZINC000849469620 1067855074 /nfs/dbraw/zinc/85/50/74/1067855074.db2.gz KXESRGHDOHOXKJ-UHFFFAOYSA-N -1 3 391.333 3.831 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001468976291 1067942625 /nfs/dbraw/zinc/94/26/25/1067942625.db2.gz FZSXLHRJJZUILE-OAHLLOKOSA-N -1 3 395.475 3.510 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)cs2)cc1 ZINC001469323639 1068102653 /nfs/dbraw/zinc/10/26/53/1068102653.db2.gz MSSJRDVOGFMLQQ-UHFFFAOYSA-N -1 3 398.488 3.978 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)cs2)cc1 ZINC001469323639 1068102658 /nfs/dbraw/zinc/10/26/58/1068102658.db2.gz MSSJRDVOGFMLQQ-UHFFFAOYSA-N -1 3 398.488 3.978 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c(=O)[n-]1 ZINC001469557822 1068223702 /nfs/dbraw/zinc/22/37/02/1068223702.db2.gz SKORGMXBBIIMAK-FQEVSTJZSA-N -1 3 397.862 3.715 20 0 GHADHM Cc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1Cl ZINC001469615802 1068261389 /nfs/dbraw/zinc/26/13/89/1068261389.db2.gz VPORIEABFHOCRK-UHFFFAOYSA-N -1 3 382.851 3.673 20 0 GHADHM CCCCCc1ccc(C(=O)CCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001469716166 1068333231 /nfs/dbraw/zinc/33/32/31/1068333231.db2.gz TVOVJNDQENBWKW-SFHVURJKSA-N -1 3 383.492 3.827 20 0 GHADHM COc1ccc(C2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)nc1 ZINC001469804361 1068399073 /nfs/dbraw/zinc/39/90/73/1068399073.db2.gz HKHKNIFLOYNYDW-UHFFFAOYSA-N -1 3 397.862 3.605 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCc3ccc(C(C)C)cc3C2)c([O-])c1 ZINC001469904094 1068462874 /nfs/dbraw/zinc/46/28/74/1068462874.db2.gz SKFVQJPOJFKOSC-UHFFFAOYSA-N -1 3 380.488 3.529 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2c(C)cccc2C)c([O-])c1 ZINC001470022753 1068528380 /nfs/dbraw/zinc/52/83/80/1068528380.db2.gz KIPPCSHNMIQVJH-IBGZPJMESA-N -1 3 380.488 3.801 20 0 GHADHM COc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1C ZINC001470122944 1068582879 /nfs/dbraw/zinc/58/28/79/1068582879.db2.gz KOEWKNAGGSIRAY-UHFFFAOYSA-N -1 3 392.333 3.996 20 0 GHADHM CN(CCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 ZINC001460654525 1069061187 /nfs/dbraw/zinc/06/11/87/1069061187.db2.gz WLIQFVZTAADNQM-MRXNPFEDSA-N -1 3 391.437 3.795 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)n1 ZINC001460753020 1069156974 /nfs/dbraw/zinc/15/69/74/1069156974.db2.gz HYLZHFVTCUWVBH-LBPRGKRZSA-N -1 3 382.386 3.509 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(SC(F)(F)F)c1 ZINC001460801983 1069189676 /nfs/dbraw/zinc/18/96/76/1069189676.db2.gz PKQGTXPXDFZPSB-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(SC(F)(F)F)c1 ZINC001460801983 1069189681 /nfs/dbraw/zinc/18/96/81/1069189681.db2.gz PKQGTXPXDFZPSB-UHFFFAOYSA-N -1 3 383.330 3.870 20 0 GHADHM CC(C)[C@H](NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)C1CC1 ZINC001470863717 1072778856 /nfs/dbraw/zinc/77/88/56/1072778856.db2.gz GMYLLDUIJDTKAH-YOEHRIQHSA-N -1 3 397.441 3.803 20 0 GHADHM CC(=O)N1CCN(c2ccc(NC(=O)c3cc4sccc4c([O-])c3)cc2)CC1 ZINC001471332330 1073022765 /nfs/dbraw/zinc/02/27/65/1073022765.db2.gz RFVNUZNOPPBTQD-UHFFFAOYSA-N -1 3 395.484 3.528 20 0 GHADHM O=C(NCc1ccc(F)nc1Br)c1cc2sccc2c([O-])c1 ZINC001472025212 1073309876 /nfs/dbraw/zinc/30/98/76/1073309876.db2.gz UKAPIRSBCRPNJN-UHFFFAOYSA-N -1 3 381.226 3.834 20 0 GHADHM COc1cccc(C(F)F)c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288406 1073401719 /nfs/dbraw/zinc/40/17/19/1073401719.db2.gz DRGBPOCOZRMWJN-HAQNSBGRSA-N -1 3 377.391 3.585 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC=CCCC2)c1 ZINC001472304216 1073409782 /nfs/dbraw/zinc/40/97/82/1073409782.db2.gz YNBYCZKHKWTBSR-OAHLLOKOSA-N -1 3 383.448 3.807 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001472572353 1073556594 /nfs/dbraw/zinc/55/65/94/1073556594.db2.gz FTTFXGQRCSTYND-MRXNPFEDSA-N -1 3 396.874 3.851 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(F)ccn3)c2)cc1 ZINC001472595467 1073566987 /nfs/dbraw/zinc/56/69/87/1073566987.db2.gz ASHGBHGRDHFMFR-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1[n-]cnc1C(F)(F)F ZINC001546193576 1073623716 /nfs/dbraw/zinc/62/37/16/1073623716.db2.gz UUIQXDDOVYKIGN-UHFFFAOYSA-N -1 3 391.231 3.750 20 0 GHADHM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc[n-]c1C(F)(F)F ZINC001546193576 1073623721 /nfs/dbraw/zinc/62/37/21/1073623721.db2.gz UUIQXDDOVYKIGN-UHFFFAOYSA-N -1 3 391.231 3.750 20 0 GHADHM C[C@@H](CN(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1nnn[n-]1 ZINC001472754690 1073651757 /nfs/dbraw/zinc/65/17/57/1073651757.db2.gz XEYWGCAGAZZSEU-LBPRGKRZSA-N -1 3 379.855 3.703 20 0 GHADHM C[C@@H](CN(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1nn[n-]n1 ZINC001472754690 1073651763 /nfs/dbraw/zinc/65/17/63/1073651763.db2.gz XEYWGCAGAZZSEU-LBPRGKRZSA-N -1 3 379.855 3.703 20 0 GHADHM Cc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1Oc1ncccc1Br ZINC001472774452 1073659581 /nfs/dbraw/zinc/65/95/81/1073659581.db2.gz CSVNNCCBBQMVTH-UHFFFAOYSA-N -1 3 397.236 3.728 20 0 GHADHM CCc1nc(C)cc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC001472856815 1073696080 /nfs/dbraw/zinc/69/60/80/1073696080.db2.gz LXKIXNQQAOFFKO-CYBMUJFWSA-N -1 3 378.398 3.651 20 0 GHADHM O=C(CN1CCC[C@H](COc2ccccc2Cl)C1)[N-]OCc1ccccc1 ZINC001473352862 1073932477 /nfs/dbraw/zinc/93/24/77/1073932477.db2.gz PYCFYUFMIBZUQV-SFHVURJKSA-N -1 3 388.895 3.679 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC001474452523 1074413016 /nfs/dbraw/zinc/41/30/16/1074413016.db2.gz LPYVVIWAMOPZED-CYBMUJFWSA-N -1 3 385.302 3.644 20 0 GHADHM O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1cnc(Cl)c(F)c1 ZINC001474789822 1074564661 /nfs/dbraw/zinc/56/46/61/1074564661.db2.gz BQDKSLAEUXAGCK-UHFFFAOYSA-N -1 3 381.281 3.598 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Br)cc3)CCC2)o1 ZINC001474862859 1074598724 /nfs/dbraw/zinc/59/87/24/1074598724.db2.gz HDRHXKRSNKYRJZ-UHFFFAOYSA-N -1 3 384.295 3.751 20 0 GHADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)c1F ZINC001474927424 1074635990 /nfs/dbraw/zinc/63/59/90/1074635990.db2.gz ITLWEZWORBGCMN-OCCSQVGLSA-N -1 3 389.464 3.635 20 0 GHADHM COc1ccccc1C[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)C(C)C ZINC001475065274 1074718997 /nfs/dbraw/zinc/71/89/97/1074718997.db2.gz KAMZWCAGYYAFCM-INIZCTEOSA-N -1 3 399.459 3.528 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1Cl ZINC001475075100 1074725396 /nfs/dbraw/zinc/72/53/96/1074725396.db2.gz CHMCJVFIMVDAAZ-ZDUSSCGKSA-N -1 3 378.252 3.799 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)c1ccc(C)c(C)c1 ZINC001475226798 1074794888 /nfs/dbraw/zinc/79/48/88/1074794888.db2.gz PNXSVMHZOIEGDQ-LJQANCHMSA-N -1 3 389.517 3.730 20 0 GHADHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001475330776 1074836684 /nfs/dbraw/zinc/83/66/84/1074836684.db2.gz PONAQTYGNQWELY-UHFFFAOYSA-N -1 3 383.739 3.848 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)C2=CCCC2)c(C)c1Cl ZINC001475367598 1074851135 /nfs/dbraw/zinc/85/11/35/1074851135.db2.gz PGPJMJVSDDLIFN-UHFFFAOYSA-N -1 3 391.942 3.911 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCCCC1)c1ccc(F)cc1F ZINC001475394266 1074859250 /nfs/dbraw/zinc/85/92/50/1074859250.db2.gz QUFBYGHRBQVPHY-LJQANCHMSA-N -1 3 395.471 3.927 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2cccc(OC)c2F)c2ccco2)cc1 ZINC001475397900 1074860397 /nfs/dbraw/zinc/86/03/97/1074860397.db2.gz FERRFEPGGVFVJL-IBGZPJMESA-N -1 3 391.420 3.504 20 0 GHADHM COc1ccc(Cl)cc1C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001475416499 1074866537 /nfs/dbraw/zinc/86/65/37/1074866537.db2.gz IHBARQURFBGVBC-UHFFFAOYSA-N -1 3 393.267 3.750 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)[C@@H]1CCCCO1 ZINC001475440580 1074876130 /nfs/dbraw/zinc/87/61/30/1074876130.db2.gz LPWPIMHKFQQPJQ-KGLIPLIRSA-N -1 3 394.306 3.523 20 0 GHADHM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001475484531 1074891528 /nfs/dbraw/zinc/89/15/28/1074891528.db2.gz ADUXTUNAAFQHPV-LBPRGKRZSA-N -1 3 377.268 3.827 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)cc1F ZINC001475500012 1074897631 /nfs/dbraw/zinc/89/76/31/1074897631.db2.gz IFYWLJHTPGTZTB-KRWDZBQOSA-N -1 3 385.407 3.573 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@](C)(Cc2ccccc2)C(C)C)c1 ZINC001475577506 1074918926 /nfs/dbraw/zinc/91/89/26/1074918926.db2.gz FDSFMLSBAVVKCN-FQEVSTJZSA-N -1 3 393.480 3.548 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)CO2)c(-c2ccccc2)s1 ZINC001475625721 1074929922 /nfs/dbraw/zinc/92/99/22/1074929922.db2.gz JJHSAPQRZRYMCI-HNNXBMFYSA-N -1 3 380.535 3.602 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)CC(F)F ZINC001475631121 1074989164 /nfs/dbraw/zinc/98/91/64/1074989164.db2.gz LWOCUGZRHYRXHH-UHFFFAOYSA-N -1 3 391.461 3.648 20 0 GHADHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(CC)c(CC)c1)c1ccccc1 ZINC001475696017 1075000909 /nfs/dbraw/zinc/00/09/09/1075000909.db2.gz AIUNFHRZFFGUOU-NRFANRHFSA-N -1 3 389.517 3.568 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2cccc3cccc1c32 ZINC001475704695 1075004044 /nfs/dbraw/zinc/00/40/44/1075004044.db2.gz FOGKMHUUUKREJK-OAHLLOKOSA-N -1 3 375.881 3.501 20 0 GHADHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001475718858 1075007593 /nfs/dbraw/zinc/00/75/93/1075007593.db2.gz MKXVRXOANNYRIR-UHFFFAOYSA-N -1 3 398.912 3.856 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ncccc2C)c(F)cc1Br ZINC001475781436 1075020589 /nfs/dbraw/zinc/02/05/89/1075020589.db2.gz SYBRBYYEZJIZEQ-NSHDSACASA-N -1 3 387.274 3.640 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC001475787046 1075021846 /nfs/dbraw/zinc/02/18/46/1075021846.db2.gz LUVFJQNNTVVQBT-ZWKOTPCHSA-N -1 3 384.526 3.967 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000736739340 598823207 /nfs/dbraw/zinc/82/32/07/598823207.db2.gz LFCIFHXGJHFXTO-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000736739340 598823208 /nfs/dbraw/zinc/82/32/08/598823208.db2.gz LFCIFHXGJHFXTO-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736231115 598826540 /nfs/dbraw/zinc/82/65/40/598826540.db2.gz VZXQXDJPJWOXJD-NRFANRHFSA-N -1 3 393.516 3.539 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736231115 598826542 /nfs/dbraw/zinc/82/65/42/598826542.db2.gz VZXQXDJPJWOXJD-NRFANRHFSA-N -1 3 393.516 3.539 20 0 GHADHM COc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000737067856 598836001 /nfs/dbraw/zinc/83/60/01/598836001.db2.gz OMEMABAGSZSNCQ-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM Cc1cc2cc(N[C@H](C)C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc2[nH]1 ZINC000737283806 598836043 /nfs/dbraw/zinc/83/60/43/598836043.db2.gz HFDJRTBCYWSYRK-LLVKDONJSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1cc2cc(N[C@H](C)C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc2[nH]1 ZINC000737283806 598836044 /nfs/dbraw/zinc/83/60/44/598836044.db2.gz HFDJRTBCYWSYRK-LLVKDONJSA-N -1 3 395.854 3.749 20 0 GHADHM C[C@@H](NCc1csc(COc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736130856 598837247 /nfs/dbraw/zinc/83/72/47/598837247.db2.gz OYWUTNPPPDRCFK-CQSZACIVSA-N -1 3 392.488 3.753 20 0 GHADHM C[C@@H](NCc1csc(COc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736130856 598837250 /nfs/dbraw/zinc/83/72/50/598837250.db2.gz OYWUTNPPPDRCFK-CQSZACIVSA-N -1 3 392.488 3.753 20 0 GHADHM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000735670898 598838207 /nfs/dbraw/zinc/83/82/07/598838207.db2.gz XMFMWSDOGQQDEO-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000735670898 598838209 /nfs/dbraw/zinc/83/82/09/598838209.db2.gz XMFMWSDOGQQDEO-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc(C)cc(C)c2)c1C ZINC000737253896 598840076 /nfs/dbraw/zinc/84/00/76/598840076.db2.gz UJPXAKSHBGGMFI-UHFFFAOYSA-N -1 3 387.447 3.538 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737336509 598853014 /nfs/dbraw/zinc/85/30/14/598853014.db2.gz ZDUBOJJRIOBAOR-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737336509 598853015 /nfs/dbraw/zinc/85/30/15/598853015.db2.gz ZDUBOJJRIOBAOR-MRXNPFEDSA-N -1 3 380.427 3.553 20 0 GHADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000736901349 598858310 /nfs/dbraw/zinc/85/83/10/598858310.db2.gz JWMMWYIVJAFDSD-LJQANCHMSA-N -1 3 393.491 3.510 20 0 GHADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000736901349 598858311 /nfs/dbraw/zinc/85/83/11/598858311.db2.gz JWMMWYIVJAFDSD-LJQANCHMSA-N -1 3 393.491 3.510 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)CSc1ccccc1 ZINC000736036838 598884297 /nfs/dbraw/zinc/88/42/97/598884297.db2.gz IGYPLOWDWPZKKT-CABCVRRESA-N -1 3 398.488 3.606 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)CSc1ccccc1 ZINC000736036838 598884298 /nfs/dbraw/zinc/88/42/98/598884298.db2.gz IGYPLOWDWPZKKT-CABCVRRESA-N -1 3 398.488 3.606 20 0 GHADHM FC(F)n1ccnc1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737639380 598902563 /nfs/dbraw/zinc/90/25/63/598902563.db2.gz QCDPJTNPYCSHJT-UHFFFAOYSA-N -1 3 385.403 3.813 20 0 GHADHM FC(F)n1ccnc1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737639380 598902564 /nfs/dbraw/zinc/90/25/64/598902564.db2.gz QCDPJTNPYCSHJT-UHFFFAOYSA-N -1 3 385.403 3.813 20 0 GHADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)CC2CCCC2)c(-c2nnn[n-]2)c1C ZINC000736605191 598903455 /nfs/dbraw/zinc/90/34/55/598903455.db2.gz FVZLHTOXCDMVKT-JTQLQIEISA-N -1 3 391.497 3.568 20 0 GHADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)CC2CCCC2)c(-c2nn[n-]n2)c1C ZINC000736605191 598903457 /nfs/dbraw/zinc/90/34/57/598903457.db2.gz FVZLHTOXCDMVKT-JTQLQIEISA-N -1 3 391.497 3.568 20 0 GHADHM CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000736358245 598907186 /nfs/dbraw/zinc/90/71/86/598907186.db2.gz RXFQTITXXVVGIP-CYBMUJFWSA-N -1 3 375.885 3.782 20 0 GHADHM CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736358245 598907187 /nfs/dbraw/zinc/90/71/87/598907187.db2.gz RXFQTITXXVVGIP-CYBMUJFWSA-N -1 3 375.885 3.782 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737191035 598911757 /nfs/dbraw/zinc/91/17/57/598911757.db2.gz PQVUOLGOACRRFQ-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737191035 598911759 /nfs/dbraw/zinc/91/17/59/598911759.db2.gz PQVUOLGOACRRFQ-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736253884 598925716 /nfs/dbraw/zinc/92/57/16/598925716.db2.gz PDRWRCRBCILNMQ-MAUKXSAKSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736253884 598925718 /nfs/dbraw/zinc/92/57/18/598925718.db2.gz PDRWRCRBCILNMQ-MAUKXSAKSA-N -1 3 391.475 3.754 20 0 GHADHM CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1cccc(C)c1 ZINC000736715009 598935497 /nfs/dbraw/zinc/93/54/97/598935497.db2.gz ZUEFMOAWNDUAFJ-UHFFFAOYSA-N -1 3 398.883 3.653 20 0 GHADHM CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1cccc(C)c1 ZINC000736715009 598935500 /nfs/dbraw/zinc/93/55/00/598935500.db2.gz ZUEFMOAWNDUAFJ-UHFFFAOYSA-N -1 3 398.883 3.653 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc2ccccc2n1C1CCCC1 ZINC000737802102 598946197 /nfs/dbraw/zinc/94/61/97/598946197.db2.gz OOYZFYFNLLBEEI-YPKPFQOOSA-N -1 3 399.458 3.983 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc2ccccc2n1C1CCCC1 ZINC000737802102 598946199 /nfs/dbraw/zinc/94/61/99/598946199.db2.gz OOYZFYFNLLBEEI-YPKPFQOOSA-N -1 3 399.458 3.983 20 0 GHADHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000115053647 598978615 /nfs/dbraw/zinc/97/86/15/598978615.db2.gz IWRBTLHNNURYHZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000115053647 598978617 /nfs/dbraw/zinc/97/86/17/598978617.db2.gz IWRBTLHNNURYHZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM CCCCCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736445449 598978762 /nfs/dbraw/zinc/97/87/62/598978762.db2.gz ANIBPSSSXUQXNE-UHFFFAOYSA-N -1 3 379.464 3.756 20 0 GHADHM CCCCCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736445449 598978764 /nfs/dbraw/zinc/97/87/64/598978764.db2.gz ANIBPSSSXUQXNE-UHFFFAOYSA-N -1 3 379.464 3.756 20 0 GHADHM CC(C)(C)CCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735603103 598990309 /nfs/dbraw/zinc/99/03/09/598990309.db2.gz WXKOHQAVSWMZIM-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736326035 598997059 /nfs/dbraw/zinc/99/70/59/598997059.db2.gz BASLRRNVWGRHEC-LSDHHAIUSA-N -1 3 379.464 3.610 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)c1ccccc1 ZINC000736122841 599004175 /nfs/dbraw/zinc/00/41/75/599004175.db2.gz MGLCTKTWRVCVFC-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)c1ccccc1 ZINC000736122841 599004177 /nfs/dbraw/zinc/00/41/77/599004177.db2.gz MGLCTKTWRVCVFC-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM CCOc1ccccc1CSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736653120 599009413 /nfs/dbraw/zinc/00/94/13/599009413.db2.gz GNTIVOJXGHMMGY-UHFFFAOYSA-N -1 3 386.477 3.586 20 0 GHADHM CCOc1ccccc1CSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736653120 599009415 /nfs/dbraw/zinc/00/94/15/599009415.db2.gz GNTIVOJXGHMMGY-UHFFFAOYSA-N -1 3 386.477 3.586 20 0 GHADHM NC(=O)[C@@H](SCc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740533 599013174 /nfs/dbraw/zinc/01/31/74/599013174.db2.gz NPJWBNLGLWBJCH-AWEZNQCLSA-N -1 3 394.287 3.633 20 0 GHADHM NC(=O)[C@@H](SCc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740533 599013176 /nfs/dbraw/zinc/01/31/76/599013176.db2.gz NPJWBNLGLWBJCH-AWEZNQCLSA-N -1 3 394.287 3.633 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736223190 599018191 /nfs/dbraw/zinc/01/81/91/599018191.db2.gz IHFOGTMHVWDKAS-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736223190 599018193 /nfs/dbraw/zinc/01/81/93/599018193.db2.gz IHFOGTMHVWDKAS-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM CC1(C)CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736210772 599032133 /nfs/dbraw/zinc/03/21/33/599032133.db2.gz IHAMRLZNXZPXAZ-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCSc3ccccc32)n1 ZINC000737631012 599044811 /nfs/dbraw/zinc/04/48/11/599044811.db2.gz BBSSLCNUNSFKOA-LLVKDONJSA-N -1 3 378.383 3.930 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCSc3ccccc32)n1 ZINC000737631012 599044814 /nfs/dbraw/zinc/04/48/14/599044814.db2.gz BBSSLCNUNSFKOA-LLVKDONJSA-N -1 3 378.383 3.930 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1 ZINC000822192117 599044852 /nfs/dbraw/zinc/04/48/52/599044852.db2.gz ZHUQWPZGJXSFEE-AWEZNQCLSA-N -1 3 383.525 3.842 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1 ZINC000822192117 599044855 /nfs/dbraw/zinc/04/48/55/599044855.db2.gz ZHUQWPZGJXSFEE-AWEZNQCLSA-N -1 3 383.525 3.842 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000822753191 599053878 /nfs/dbraw/zinc/05/38/78/599053878.db2.gz IEOGICGCRJLMRF-QGZVFWFLSA-N -1 3 393.401 3.877 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000822753191 599053881 /nfs/dbraw/zinc/05/38/81/599053881.db2.gz IEOGICGCRJLMRF-QGZVFWFLSA-N -1 3 393.401 3.877 20 0 GHADHM COc1cc(Cl)ccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737046740 599056609 /nfs/dbraw/zinc/05/66/09/599056609.db2.gz FLMNQAWBCNKJAB-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM COc1cc(Cl)ccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737046740 599056612 /nfs/dbraw/zinc/05/66/12/599056612.db2.gz FLMNQAWBCNKJAB-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000736189824 599062578 /nfs/dbraw/zinc/06/25/78/599062578.db2.gz CNYYJZUOSZGGFI-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000736189824 599062581 /nfs/dbraw/zinc/06/25/81/599062581.db2.gz CNYYJZUOSZGGFI-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000822723248 599063179 /nfs/dbraw/zinc/06/31/79/599063179.db2.gz BGCKIXUJFQBATO-LBPRGKRZSA-N -1 3 380.761 3.885 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000822723248 599063182 /nfs/dbraw/zinc/06/31/82/599063182.db2.gz BGCKIXUJFQBATO-LBPRGKRZSA-N -1 3 380.761 3.885 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736559084 599063811 /nfs/dbraw/zinc/06/38/11/599063811.db2.gz URZUYEUNHVECNO-ZDUSSCGKSA-N -1 3 385.468 3.535 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736559084 599063814 /nfs/dbraw/zinc/06/38/14/599063814.db2.gz URZUYEUNHVECNO-ZDUSSCGKSA-N -1 3 385.468 3.535 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817510 599069802 /nfs/dbraw/zinc/06/98/02/599069802.db2.gz AVJCCZPFAUHQSV-SJORKVTESA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817510 599069805 /nfs/dbraw/zinc/06/98/05/599069805.db2.gz AVJCCZPFAUHQSV-SJORKVTESA-N -1 3 397.429 3.938 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000737294047 599073166 /nfs/dbraw/zinc/07/31/66/599073166.db2.gz KOBKPBSROXRRHP-UHFFFAOYSA-N -1 3 398.854 3.675 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000737294047 599073170 /nfs/dbraw/zinc/07/31/70/599073170.db2.gz KOBKPBSROXRRHP-UHFFFAOYSA-N -1 3 398.854 3.675 20 0 GHADHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821904124 599077440 /nfs/dbraw/zinc/07/74/40/599077440.db2.gz QSIUMQUWVAPOOV-LLVKDONJSA-N -1 3 393.369 3.774 20 0 GHADHM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738024822 599091887 /nfs/dbraw/zinc/09/18/87/599091887.db2.gz ZAZOHHMYAOUCDG-JTSKRJEESA-N -1 3 395.466 3.895 20 0 GHADHM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738024822 599091890 /nfs/dbraw/zinc/09/18/90/599091890.db2.gz ZAZOHHMYAOUCDG-JTSKRJEESA-N -1 3 395.466 3.895 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736224291 599094141 /nfs/dbraw/zinc/09/41/41/599094141.db2.gz SBGPCMMPWCOCCG-XUZZJYLKSA-N -1 3 395.466 3.994 20 0 GHADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736224291 599094143 /nfs/dbraw/zinc/09/41/43/599094143.db2.gz SBGPCMMPWCOCCG-XUZZJYLKSA-N -1 3 395.466 3.994 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736559094 599096258 /nfs/dbraw/zinc/09/62/58/599096258.db2.gz VCKOVHLZQWDWAK-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736559094 599096261 /nfs/dbraw/zinc/09/62/61/599096261.db2.gz VCKOVHLZQWDWAK-UHFFFAOYSA-N -1 3 384.443 3.591 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735719579 599103339 /nfs/dbraw/zinc/10/33/39/599103339.db2.gz GHYGDHHZLDQGFL-QGZVFWFLSA-N -1 3 384.871 3.717 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735719579 599103342 /nfs/dbraw/zinc/10/33/42/599103342.db2.gz GHYGDHHZLDQGFL-QGZVFWFLSA-N -1 3 384.871 3.717 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113336 599103083 /nfs/dbraw/zinc/10/30/83/599103083.db2.gz YNXZJOBXBYGTHA-AWEZNQCLSA-N -1 3 394.454 3.689 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113336 599103084 /nfs/dbraw/zinc/10/30/84/599103084.db2.gz YNXZJOBXBYGTHA-AWEZNQCLSA-N -1 3 394.454 3.689 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113337 599103092 /nfs/dbraw/zinc/10/30/92/599103092.db2.gz YNXZJOBXBYGTHA-CQSZACIVSA-N -1 3 394.454 3.689 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113337 599103093 /nfs/dbraw/zinc/10/30/93/599103093.db2.gz YNXZJOBXBYGTHA-CQSZACIVSA-N -1 3 394.454 3.689 20 0 GHADHM COc1ccccc1[C@@H](C)SCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821882579 599127823 /nfs/dbraw/zinc/12/78/23/599127823.db2.gz FDZNGYUXNCGRJQ-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM COc1ccccc1[C@@H](C)SCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821882579 599127824 /nfs/dbraw/zinc/12/78/24/599127824.db2.gz FDZNGYUXNCGRJQ-CYBMUJFWSA-N -1 3 383.477 3.698 20 0 GHADHM COC[C@@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000821682683 599127146 /nfs/dbraw/zinc/12/71/46/599127146.db2.gz LPUCVQLFCJYCGF-SECBINFHSA-N -1 3 399.398 3.976 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1SCCc2ccccc21 ZINC000821100281 599140953 /nfs/dbraw/zinc/14/09/53/599140953.db2.gz XJESXKBUAKETSI-IBGZPJMESA-N -1 3 393.516 3.636 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1SCCc2ccccc21 ZINC000821100281 599140955 /nfs/dbraw/zinc/14/09/55/599140955.db2.gz XJESXKBUAKETSI-IBGZPJMESA-N -1 3 393.516 3.636 20 0 GHADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)[C@@H](C)c1cccnc1 ZINC000736505785 599144889 /nfs/dbraw/zinc/14/48/89/599144889.db2.gz NDOIZWXFSAZMPH-AWEZNQCLSA-N -1 3 395.467 3.664 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)/C=C/C1CC1 ZINC000822211898 599151111 /nfs/dbraw/zinc/15/11/11/599151111.db2.gz SKOKNLFWDWFWRI-JXMROGBWSA-N -1 3 375.432 3.659 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)/C=C/C1CC1 ZINC000822211898 599151113 /nfs/dbraw/zinc/15/11/13/599151113.db2.gz SKOKNLFWDWFWRI-JXMROGBWSA-N -1 3 375.432 3.659 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccco1 ZINC000737833561 599165894 /nfs/dbraw/zinc/16/58/94/599165894.db2.gz WFWZXVUCTMRQLA-SFHVURJKSA-N -1 3 395.463 3.763 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccco1 ZINC000737833561 599165895 /nfs/dbraw/zinc/16/58/95/599165895.db2.gz WFWZXVUCTMRQLA-SFHVURJKSA-N -1 3 395.463 3.763 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735619678 599168138 /nfs/dbraw/zinc/16/81/38/599168138.db2.gz WMDUGASEZPHJDD-UHFFFAOYSA-N -1 3 399.495 3.925 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735619678 599168142 /nfs/dbraw/zinc/16/81/42/599168142.db2.gz WMDUGASEZPHJDD-UHFFFAOYSA-N -1 3 399.495 3.925 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737190457 599171257 /nfs/dbraw/zinc/17/12/57/599171257.db2.gz MLNAXQXQMAAAKT-SNVBAGLBSA-N -1 3 389.481 3.847 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737190457 599171259 /nfs/dbraw/zinc/17/12/59/599171259.db2.gz MLNAXQXQMAAAKT-SNVBAGLBSA-N -1 3 389.481 3.847 20 0 GHADHM Cc1c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)sc2cccc(F)c12 ZINC000822020784 599171630 /nfs/dbraw/zinc/17/16/30/599171630.db2.gz JFBLUQUDMLGVPO-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM Cc1c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)sc2cccc(F)c12 ZINC000822020784 599171632 /nfs/dbraw/zinc/17/16/32/599171632.db2.gz JFBLUQUDMLGVPO-UHFFFAOYSA-N -1 3 385.399 3.598 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000738406277 599176556 /nfs/dbraw/zinc/17/65/56/599176556.db2.gz BUPRNGBLISXVNV-QJPTWQEYSA-N -1 3 376.917 3.775 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000738406277 599176558 /nfs/dbraw/zinc/17/65/58/599176558.db2.gz BUPRNGBLISXVNV-QJPTWQEYSA-N -1 3 376.917 3.775 20 0 GHADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)s1 ZINC000736495127 599177655 /nfs/dbraw/zinc/17/76/55/599177655.db2.gz IQUIYUJPHGFVQG-UHFFFAOYSA-N -1 3 388.522 3.858 20 0 GHADHM CCCc1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)s1 ZINC000736495127 599177657 /nfs/dbraw/zinc/17/76/57/599177657.db2.gz IQUIYUJPHGFVQG-UHFFFAOYSA-N -1 3 388.522 3.858 20 0 GHADHM C[C@H](CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735976384 599184398 /nfs/dbraw/zinc/18/43/98/599184398.db2.gz MXZNMQPYRZOBML-CQSZACIVSA-N -1 3 384.411 3.512 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H](C)S1 ZINC000820742268 599187917 /nfs/dbraw/zinc/18/79/17/599187917.db2.gz IPACMQJGNCSSPZ-OKILXGFUSA-N -1 3 394.504 3.576 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000738116103 599189165 /nfs/dbraw/zinc/18/91/65/599189165.db2.gz JHZRAJGSZUDMCU-UHFFFAOYSA-N -1 3 392.463 3.900 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCCC2)cc1 ZINC000738116103 599189167 /nfs/dbraw/zinc/18/91/67/599189167.db2.gz JHZRAJGSZUDMCU-UHFFFAOYSA-N -1 3 392.463 3.900 20 0 GHADHM CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000821570851 599193139 /nfs/dbraw/zinc/19/31/39/599193139.db2.gz OAGSVUBEQLEUFI-UHFFFAOYSA-N -1 3 385.427 3.576 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736171434 599196335 /nfs/dbraw/zinc/19/63/35/599196335.db2.gz VZLSCXHLDUWTLD-MRXNPFEDSA-N -1 3 393.491 3.506 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1sccc1-c1nnn[n-]1 ZINC000737995468 599198383 /nfs/dbraw/zinc/19/83/83/599198383.db2.gz LKWAXTJPODBSOX-AWEZNQCLSA-N -1 3 381.486 3.704 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1sccc1-c1nn[n-]n1 ZINC000737995468 599198385 /nfs/dbraw/zinc/19/83/85/599198385.db2.gz LKWAXTJPODBSOX-AWEZNQCLSA-N -1 3 381.486 3.704 20 0 GHADHM CCC(CC)(CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820887719 599201235 /nfs/dbraw/zinc/20/12/35/599201235.db2.gz NQPLLROGKVDYQN-MRXNPFEDSA-N -1 3 393.491 3.508 20 0 GHADHM CC[C@H](CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736329923 599201461 /nfs/dbraw/zinc/20/14/61/599201461.db2.gz ALWTZKDAOCRWCR-QGZVFWFLSA-N -1 3 393.491 3.738 20 0 GHADHM CC[C@H](CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736329923 599201463 /nfs/dbraw/zinc/20/14/63/599201463.db2.gz ALWTZKDAOCRWCR-QGZVFWFLSA-N -1 3 393.491 3.738 20 0 GHADHM COCCCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736979669 599210881 /nfs/dbraw/zinc/21/08/81/599210881.db2.gz UDVNPOVYYYWWEP-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM COCCCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736979669 599210883 /nfs/dbraw/zinc/21/08/83/599210883.db2.gz UDVNPOVYYYWWEP-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328078 599218479 /nfs/dbraw/zinc/21/84/79/599218479.db2.gz VBIICURZBFOHCS-HZPDHXFCSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328078 599218481 /nfs/dbraw/zinc/21/84/81/599218481.db2.gz VBIICURZBFOHCS-HZPDHXFCSA-N -1 3 378.480 3.938 20 0 GHADHM COC[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736969686 599221178 /nfs/dbraw/zinc/22/11/78/599221178.db2.gz MSIAJGVDPVAFKL-LLVKDONJSA-N -1 3 388.811 3.504 20 0 GHADHM COC[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736969686 599221180 /nfs/dbraw/zinc/22/11/80/599221180.db2.gz MSIAJGVDPVAFKL-LLVKDONJSA-N -1 3 388.811 3.504 20 0 GHADHM c1ccc(-c2ccc(CSCCOC[C@@H]3CCCO3)cc2)c(-c2nnn[n-]2)c1 ZINC000823767720 599227255 /nfs/dbraw/zinc/22/72/55/599227255.db2.gz WAKTZIVYEXGAKN-SFHVURJKSA-N -1 3 396.516 3.963 20 0 GHADHM c1ccc(-c2ccc(CSCCOC[C@@H]3CCCO3)cc2)c(-c2nn[n-]n2)c1 ZINC000823767720 599227258 /nfs/dbraw/zinc/22/72/58/599227258.db2.gz WAKTZIVYEXGAKN-SFHVURJKSA-N -1 3 396.516 3.963 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000738261795 599227333 /nfs/dbraw/zinc/22/73/33/599227333.db2.gz UFOXVEDBGGVUHR-QGZVFWFLSA-N -1 3 382.855 3.673 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000738261795 599227336 /nfs/dbraw/zinc/22/73/36/599227336.db2.gz UFOXVEDBGGVUHR-QGZVFWFLSA-N -1 3 382.855 3.673 20 0 GHADHM c1ccc(-c2ccc(CSCCOC[C@H]3CCCO3)cc2)c(-c2nnn[n-]2)c1 ZINC000823767710 599227528 /nfs/dbraw/zinc/22/75/28/599227528.db2.gz WAKTZIVYEXGAKN-GOSISDBHSA-N -1 3 396.516 3.963 20 0 GHADHM c1ccc(-c2ccc(CSCCOC[C@H]3CCCO3)cc2)c(-c2nn[n-]n2)c1 ZINC000823767710 599227530 /nfs/dbraw/zinc/22/75/30/599227530.db2.gz WAKTZIVYEXGAKN-GOSISDBHSA-N -1 3 396.516 3.963 20 0 GHADHM CCCC[C@H](CC)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736436919 599228630 /nfs/dbraw/zinc/22/86/30/599228630.db2.gz BENODSJVYYMZOR-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM CCCC[C@H](CC)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736436919 599228633 /nfs/dbraw/zinc/22/86/33/599228633.db2.gz BENODSJVYYMZOR-KRWDZBQOSA-N -1 3 384.528 3.512 20 0 GHADHM Cc1c(NC(=O)c2cccc(Oc3nccs3)c2)cccc1-c1nnn[n-]1 ZINC000822108212 607269987 /nfs/dbraw/zinc/26/99/87/607269987.db2.gz FUQKSWKCQCZQDV-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1c(NC(=O)c2cccc(Oc3nccs3)c2)cccc1-c1nn[n-]n1 ZINC000822108212 607269988 /nfs/dbraw/zinc/26/99/88/607269988.db2.gz FUQKSWKCQCZQDV-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(CNCc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000426702268 597136046 /nfs/dbraw/zinc/13/60/46/597136046.db2.gz FZEXRFUUUJUHLM-UHFFFAOYSA-N -1 3 390.439 3.936 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737807845 599246712 /nfs/dbraw/zinc/24/67/12/599246712.db2.gz RDIDGMKAXNFFJQ-VMPITWQZSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737807845 599246714 /nfs/dbraw/zinc/24/67/14/599246714.db2.gz RDIDGMKAXNFFJQ-VMPITWQZSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(c1cc2cc(F)ccc2o1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738247925 599246762 /nfs/dbraw/zinc/24/67/62/599246762.db2.gz LNKJKXKWZGWVSK-UHFFFAOYSA-N -1 3 377.379 3.557 20 0 GHADHM O=C(c1cc2cc(F)ccc2o1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738247925 599246764 /nfs/dbraw/zinc/24/67/64/599246764.db2.gz LNKJKXKWZGWVSK-UHFFFAOYSA-N -1 3 377.379 3.557 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736234173 599249172 /nfs/dbraw/zinc/24/91/72/599249172.db2.gz IJOMFPNLZIHTME-ACJLOTCBSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736234173 599249176 /nfs/dbraw/zinc/24/91/76/599249176.db2.gz IJOMFPNLZIHTME-ACJLOTCBSA-N -1 3 397.479 3.708 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000822351793 607281018 /nfs/dbraw/zinc/28/10/18/607281018.db2.gz QYCUYXFNFNENJX-UHFFFAOYSA-N -1 3 376.464 3.895 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000822351793 607281019 /nfs/dbraw/zinc/28/10/19/607281019.db2.gz QYCUYXFNFNENJX-UHFFFAOYSA-N -1 3 376.464 3.895 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821431090 607288796 /nfs/dbraw/zinc/28/87/96/607288796.db2.gz LPRNNRLZBVHSTR-MRXNPFEDSA-N -1 3 380.452 3.847 20 0 GHADHM CCOc1ccccc1[C@@H](CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821431090 607288797 /nfs/dbraw/zinc/28/87/97/607288797.db2.gz LPRNNRLZBVHSTR-MRXNPFEDSA-N -1 3 380.452 3.847 20 0 GHADHM Cc1c(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cccc1-c1nnn[n-]1 ZINC000822084245 607284877 /nfs/dbraw/zinc/28/48/77/607284877.db2.gz HQFSZVQXUFGMNP-GOSISDBHSA-N -1 3 377.452 3.719 20 0 GHADHM Cc1c(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cccc1-c1nn[n-]n1 ZINC000822084245 607284878 /nfs/dbraw/zinc/28/48/78/607284878.db2.gz HQFSZVQXUFGMNP-GOSISDBHSA-N -1 3 377.452 3.719 20 0 GHADHM Cc1c(NC(=O)N2CCc3ccccc3[C@@H]2C(C)C)cccc1-c1nnn[n-]1 ZINC000822092366 607285687 /nfs/dbraw/zinc/28/56/87/607285687.db2.gz XAVHNWUCPVGSIS-IBGZPJMESA-N -1 3 376.464 3.962 20 0 GHADHM Cc1c(NC(=O)N2CCc3ccccc3[C@@H]2C(C)C)cccc1-c1nn[n-]n1 ZINC000822092366 607285688 /nfs/dbraw/zinc/28/56/88/607285688.db2.gz XAVHNWUCPVGSIS-IBGZPJMESA-N -1 3 376.464 3.962 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cccc1-c1nnn[n-]1 ZINC000822084670 607291434 /nfs/dbraw/zinc/29/14/34/607291434.db2.gz NIFLUFLQLYVMLJ-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1c(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cccc1-c1nn[n-]n1 ZINC000822084670 607291435 /nfs/dbraw/zinc/29/14/35/607291435.db2.gz NIFLUFLQLYVMLJ-XIKOKIGWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822356191 607291952 /nfs/dbraw/zinc/29/19/52/607291952.db2.gz MFOMCHBXGDHSCB-KRWDZBQOSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822356191 607291953 /nfs/dbraw/zinc/29/19/53/607291953.db2.gz MFOMCHBXGDHSCB-KRWDZBQOSA-N -1 3 376.464 3.723 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C[C@H]1C ZINC000820152478 599263965 /nfs/dbraw/zinc/26/39/65/599263965.db2.gz ZHOGKKFOQULEKR-CQSZACIVSA-N -1 3 392.463 3.633 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C[C@H]1C ZINC000820152478 599263966 /nfs/dbraw/zinc/26/39/66/599263966.db2.gz ZHOGKKFOQULEKR-CQSZACIVSA-N -1 3 392.463 3.633 20 0 GHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000823737415 607313863 /nfs/dbraw/zinc/31/38/63/607313863.db2.gz DIFAEXLLAOOUJE-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM c1cc(-c2nn[n-]n2)sc1CNc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000823737415 607313864 /nfs/dbraw/zinc/31/38/64/607313864.db2.gz DIFAEXLLAOOUJE-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822729254 607314694 /nfs/dbraw/zinc/31/46/94/607314694.db2.gz YGEMGCJJYAUHBA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822729254 607314695 /nfs/dbraw/zinc/31/46/95/607314695.db2.gz YGEMGCJJYAUHBA-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CC(C)OCc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820145749 599266414 /nfs/dbraw/zinc/26/64/14/599266414.db2.gz FVALKJXRPMWFCY-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM CC(C)OCc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820145749 599266416 /nfs/dbraw/zinc/26/64/16/599266416.db2.gz FVALKJXRPMWFCY-CQSZACIVSA-N -1 3 380.452 3.674 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4c(-c5nnn[n-]5)cnc5ccccc54)CC3)nc2c1 ZINC000738432014 599266439 /nfs/dbraw/zinc/26/64/39/599266439.db2.gz CCBGDROJCRZKRZ-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4c(-c5nn[n-]n5)cnc5ccccc54)CC3)nc2c1 ZINC000738432014 599266441 /nfs/dbraw/zinc/26/64/41/599266441.db2.gz CCBGDROJCRZKRZ-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379595 599266721 /nfs/dbraw/zinc/26/67/21/599266721.db2.gz DTWZMVSMKMIMGG-AWEZNQCLSA-N -1 3 392.463 3.676 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379595 599266724 /nfs/dbraw/zinc/26/67/24/599266724.db2.gz DTWZMVSMKMIMGG-AWEZNQCLSA-N -1 3 392.463 3.676 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000822217563 599268122 /nfs/dbraw/zinc/26/81/22/599268122.db2.gz IAFZZCMFMZXBIF-UHFFFAOYSA-N -1 3 398.511 3.768 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000822217563 599268125 /nfs/dbraw/zinc/26/81/25/599268125.db2.gz IAFZZCMFMZXBIF-UHFFFAOYSA-N -1 3 398.511 3.768 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc(Cl)ccc1Cl ZINC000736487073 599276646 /nfs/dbraw/zinc/27/66/46/599276646.db2.gz BSFXHUICKIKCKV-UHFFFAOYSA-N -1 3 392.250 3.643 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1OC ZINC000736487808 599276695 /nfs/dbraw/zinc/27/66/95/599276695.db2.gz KJLJDRYNSPIMFG-AWEZNQCLSA-N -1 3 394.479 3.830 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000736488900 599278680 /nfs/dbraw/zinc/27/86/80/599278680.db2.gz SUOZFWLKWYOQDF-UHFFFAOYSA-N -1 3 389.463 3.660 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820913164 599278723 /nfs/dbraw/zinc/27/87/23/599278723.db2.gz CZPAXAJQOTVOMU-MRXNPFEDSA-N -1 3 382.443 3.799 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820913164 599278726 /nfs/dbraw/zinc/27/87/26/599278726.db2.gz CZPAXAJQOTVOMU-MRXNPFEDSA-N -1 3 382.443 3.799 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(Cl)s1 ZINC000736488449 599278764 /nfs/dbraw/zinc/27/87/64/599278764.db2.gz QRNSNSGAXZMTLZ-UHFFFAOYSA-N -1 3 390.900 3.975 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000736489344 599279036 /nfs/dbraw/zinc/27/90/36/599279036.db2.gz YDCQXOATWGNKCR-UHFFFAOYSA-N -1 3 392.463 3.730 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820666503 599279048 /nfs/dbraw/zinc/27/90/48/599279048.db2.gz IFRSTOJKQGJWNK-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820666503 599279050 /nfs/dbraw/zinc/27/90/50/599279050.db2.gz IFRSTOJKQGJWNK-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccccc1 ZINC000736712801 599286037 /nfs/dbraw/zinc/28/60/37/599286037.db2.gz COSRFIORQZVJEH-CYBMUJFWSA-N -1 3 377.477 3.998 20 0 GHADHM CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccc1 ZINC000736712801 599286038 /nfs/dbraw/zinc/28/60/38/599286038.db2.gz COSRFIORQZVJEH-CYBMUJFWSA-N -1 3 377.477 3.998 20 0 GHADHM Cc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1Cc1ccccc1 ZINC000737532788 599288689 /nfs/dbraw/zinc/28/86/89/599288689.db2.gz KPCBPOBLNJIWHH-CYBMUJFWSA-N -1 3 377.477 3.668 20 0 GHADHM Cc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1Cc1ccccc1 ZINC000737532788 599288690 /nfs/dbraw/zinc/28/86/90/599288690.db2.gz KPCBPOBLNJIWHH-CYBMUJFWSA-N -1 3 377.477 3.668 20 0 GHADHM COc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821872125 599289163 /nfs/dbraw/zinc/28/91/63/599289163.db2.gz JBBUBQAOBRJELW-UHFFFAOYSA-N -1 3 378.314 3.538 20 0 GHADHM COc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821872125 599289165 /nfs/dbraw/zinc/28/91/65/599289165.db2.gz JBBUBQAOBRJELW-UHFFFAOYSA-N -1 3 378.314 3.538 20 0 GHADHM COCc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000821696070 599289471 /nfs/dbraw/zinc/28/94/71/599289471.db2.gz VGOYLWGAJRTCOR-UHFFFAOYSA-N -1 3 392.341 3.676 20 0 GHADHM COCc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000821696070 599289473 /nfs/dbraw/zinc/28/94/73/599289473.db2.gz VGOYLWGAJRTCOR-UHFFFAOYSA-N -1 3 392.341 3.676 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc(C2CC2)[nH]n1 ZINC000738185087 598232674 /nfs/dbraw/zinc/23/26/74/598232674.db2.gz QYPJGKXTPOMCNM-UHFFFAOYSA-N -1 3 387.403 3.512 20 0 GHADHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736798162 598240855 /nfs/dbraw/zinc/24/08/55/598240855.db2.gz RMOPEMNGEHIKPZ-UHFFFAOYSA-N -1 3 395.417 3.604 20 0 GHADHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736798162 598240856 /nfs/dbraw/zinc/24/08/56/598240856.db2.gz RMOPEMNGEHIKPZ-UHFFFAOYSA-N -1 3 395.417 3.604 20 0 GHADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736198670 598251531 /nfs/dbraw/zinc/25/15/31/598251531.db2.gz KANNBGNDKXKLBD-CYBMUJFWSA-N -1 3 386.862 3.542 20 0 GHADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736198670 598251532 /nfs/dbraw/zinc/25/15/32/598251532.db2.gz KANNBGNDKXKLBD-CYBMUJFWSA-N -1 3 386.862 3.542 20 0 GHADHM CCc1ccccc1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736701387 598264161 /nfs/dbraw/zinc/26/41/61/598264161.db2.gz BDGVZSXXSDTJSV-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CCc1ccccc1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736701387 598264163 /nfs/dbraw/zinc/26/41/63/598264163.db2.gz BDGVZSXXSDTJSV-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000736480242 598273107 /nfs/dbraw/zinc/27/31/07/598273107.db2.gz MLOPXIKUSQURAT-MRXNPFEDSA-N -1 3 399.524 3.705 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000736480242 598273109 /nfs/dbraw/zinc/27/31/09/598273109.db2.gz MLOPXIKUSQURAT-MRXNPFEDSA-N -1 3 399.524 3.705 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737490329 598275425 /nfs/dbraw/zinc/27/54/25/598275425.db2.gz STWNJWJYNLDINZ-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000735660662 598275819 /nfs/dbraw/zinc/27/58/19/598275819.db2.gz NUYDBHPDFTUKPN-KRWDZBQOSA-N -1 3 379.468 3.696 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000735660662 598275821 /nfs/dbraw/zinc/27/58/21/598275821.db2.gz NUYDBHPDFTUKPN-KRWDZBQOSA-N -1 3 379.468 3.696 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(Cn3cccn3)cc2)ccc1-c1nnn[n-]1 ZINC000737633293 598275971 /nfs/dbraw/zinc/27/59/71/598275971.db2.gz PYKJKPLVKHEXIF-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(Cn3cccn3)cc2)ccc1-c1nn[n-]n1 ZINC000737633293 598275973 /nfs/dbraw/zinc/27/59/73/598275973.db2.gz PYKJKPLVKHEXIF-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735659929 598277585 /nfs/dbraw/zinc/27/75/85/598277585.db2.gz HEFAZHJSFIOILY-NWDGAFQWSA-N -1 3 399.421 3.666 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000735659929 598277586 /nfs/dbraw/zinc/27/75/86/598277586.db2.gz HEFAZHJSFIOILY-NWDGAFQWSA-N -1 3 399.421 3.666 20 0 GHADHM O=C(COc1ccc(OC2CCCCC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737920384 598283834 /nfs/dbraw/zinc/28/38/34/598283834.db2.gz RUFJWCGXXDEUKY-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM O=C(COc1ccc(OC2CCCCC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737920384 598283835 /nfs/dbraw/zinc/28/38/35/598283835.db2.gz RUFJWCGXXDEUKY-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM CC(C)CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735811776 598293487 /nfs/dbraw/zinc/29/34/87/598293487.db2.gz UNBUJUPIRLLXNY-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CC(C)CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735811776 598293488 /nfs/dbraw/zinc/29/34/88/598293488.db2.gz UNBUJUPIRLLXNY-UHFFFAOYSA-N -1 3 396.470 3.764 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736330405 598297454 /nfs/dbraw/zinc/29/74/54/598297454.db2.gz XKZHICMRXMITSY-DBTPVHCXSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736330405 598297456 /nfs/dbraw/zinc/29/74/56/598297456.db2.gz XKZHICMRXMITSY-DBTPVHCXSA-N -1 3 391.475 3.716 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737316798 598300584 /nfs/dbraw/zinc/30/05/84/598300584.db2.gz FVMKDPGWZBAXGC-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737316798 598300587 /nfs/dbraw/zinc/30/05/87/598300587.db2.gz FVMKDPGWZBAXGC-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Oc2ccccc2)cc1 ZINC000738102545 598306976 /nfs/dbraw/zinc/30/69/76/598306976.db2.gz PZMWLPBWYHIDKZ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Oc2ccccc2)cc1 ZINC000738102545 598306978 /nfs/dbraw/zinc/30/69/78/598306978.db2.gz PZMWLPBWYHIDKZ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM CCCCCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736451631 598311177 /nfs/dbraw/zinc/31/11/77/598311177.db2.gz PEWMOSDQVYVLBM-UHFFFAOYSA-N -1 3 383.427 3.851 20 0 GHADHM CCCCCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736451631 598311179 /nfs/dbraw/zinc/31/11/79/598311179.db2.gz PEWMOSDQVYVLBM-UHFFFAOYSA-N -1 3 383.427 3.851 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736123281 598316502 /nfs/dbraw/zinc/31/65/02/598316502.db2.gz AWZLDGBBMGPMKD-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736123281 598316503 /nfs/dbraw/zinc/31/65/03/598316503.db2.gz AWZLDGBBMGPMKD-QMMMGPOBSA-N -1 3 394.838 3.846 20 0 GHADHM COc1cccc([C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737127683 598322547 /nfs/dbraw/zinc/32/25/47/598322547.db2.gz QWMUMLRJKLWTFI-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1cccc([C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737127683 598322548 /nfs/dbraw/zinc/32/25/48/598322548.db2.gz QWMUMLRJKLWTFI-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736328411 598323643 /nfs/dbraw/zinc/32/36/43/598323643.db2.gz ORJMTVPZMGRRJE-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736328411 598323645 /nfs/dbraw/zinc/32/36/45/598323645.db2.gz ORJMTVPZMGRRJE-GFCCVEGCSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)N[C@@H](C)c1cccs1 ZINC000736126014 598324043 /nfs/dbraw/zinc/32/40/43/598324043.db2.gz LMSRNNLHAGUBLC-ZDUSSCGKSA-N -1 3 386.550 3.774 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)N[C@@H](C)c1cccs1 ZINC000736126014 598324045 /nfs/dbraw/zinc/32/40/45/598324045.db2.gz LMSRNNLHAGUBLC-ZDUSSCGKSA-N -1 3 386.550 3.774 20 0 GHADHM S=C(NCc1cccc2cccnc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400203 598324852 /nfs/dbraw/zinc/32/48/52/598324852.db2.gz AHXUOUNJZJKNBS-UHFFFAOYSA-N -1 3 395.879 3.555 20 0 GHADHM S=C(NCc1cccc2cccnc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400203 598324854 /nfs/dbraw/zinc/32/48/54/598324854.db2.gz AHXUOUNJZJKNBS-UHFFFAOYSA-N -1 3 395.879 3.555 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738162871 598326271 /nfs/dbraw/zinc/32/62/71/598326271.db2.gz GRMIXAUHFNQDPE-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(Cl)cc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738162871 598326272 /nfs/dbraw/zinc/32/62/72/598326272.db2.gz GRMIXAUHFNQDPE-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736828156 598326670 /nfs/dbraw/zinc/32/66/70/598326670.db2.gz LNBAHQARQXMIGC-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736828156 598326671 /nfs/dbraw/zinc/32/66/71/598326671.db2.gz LNBAHQARQXMIGC-UHFFFAOYSA-N -1 3 390.422 3.501 20 0 GHADHM CCC(=O)c1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820842474 607350703 /nfs/dbraw/zinc/35/07/03/607350703.db2.gz MZQALLSOIMDNAQ-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM CCC(=O)c1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820842474 607350705 /nfs/dbraw/zinc/35/07/05/607350705.db2.gz MZQALLSOIMDNAQ-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM C[C@@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736164434 598363000 /nfs/dbraw/zinc/36/30/00/598363000.db2.gz OPUFVDZRIZTGIE-CQSZACIVSA-N -1 3 390.399 3.957 20 0 GHADHM C[C@@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736164434 598363001 /nfs/dbraw/zinc/36/30/01/598363001.db2.gz OPUFVDZRIZTGIE-CQSZACIVSA-N -1 3 390.399 3.957 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737145053 598370193 /nfs/dbraw/zinc/37/01/93/598370193.db2.gz ATVGQDCOFDGOSO-KRWDZBQOSA-N -1 3 378.436 3.634 20 0 GHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737145053 598370195 /nfs/dbraw/zinc/37/01/95/598370195.db2.gz ATVGQDCOFDGOSO-KRWDZBQOSA-N -1 3 378.436 3.634 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736210357 598384449 /nfs/dbraw/zinc/38/44/49/598384449.db2.gz FCQDQMPPRMCSPX-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736210357 598384452 /nfs/dbraw/zinc/38/44/52/598384452.db2.gz FCQDQMPPRMCSPX-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737634678 598394143 /nfs/dbraw/zinc/39/41/43/598394143.db2.gz AAURGFAWLNISAR-GXFFZTMASA-N -1 3 380.761 3.902 20 0 GHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737634678 598394145 /nfs/dbraw/zinc/39/41/45/598394145.db2.gz AAURGFAWLNISAR-GXFFZTMASA-N -1 3 380.761 3.902 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCc2ccccc2C1 ZINC000738401785 598394870 /nfs/dbraw/zinc/39/48/70/598394870.db2.gz UIBVUKLATGWFPF-UHFFFAOYSA-N -1 3 384.896 3.665 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCc2ccccc2C1 ZINC000738401785 598394872 /nfs/dbraw/zinc/39/48/72/598394872.db2.gz UIBVUKLATGWFPF-UHFFFAOYSA-N -1 3 384.896 3.665 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735639409 598403108 /nfs/dbraw/zinc/40/31/08/598403108.db2.gz FXBWHOVKHRAENJ-UHFFFAOYSA-N -1 3 399.426 3.610 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735639409 598403109 /nfs/dbraw/zinc/40/31/09/598403109.db2.gz FXBWHOVKHRAENJ-UHFFFAOYSA-N -1 3 399.426 3.610 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccccc1 ZINC000737196429 598422341 /nfs/dbraw/zinc/42/23/41/598422341.db2.gz IGSYDRVZUZKSAC-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccccc1 ZINC000737196429 598422342 /nfs/dbraw/zinc/42/23/42/598422342.db2.gz IGSYDRVZUZKSAC-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000737194286 598422481 /nfs/dbraw/zinc/42/24/81/598422481.db2.gz HNMSNBWDDZTHSQ-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000737194286 598422483 /nfs/dbraw/zinc/42/24/83/598422483.db2.gz HNMSNBWDDZTHSQ-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000736123759 598422614 /nfs/dbraw/zinc/42/26/14/598422614.db2.gz CRKXYPSVAKDBHE-SNVBAGLBSA-N -1 3 382.474 3.543 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000736123759 598422616 /nfs/dbraw/zinc/42/26/16/598422616.db2.gz CRKXYPSVAKDBHE-SNVBAGLBSA-N -1 3 382.474 3.543 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000737061965 598431826 /nfs/dbraw/zinc/43/18/26/598431826.db2.gz HIRAGBGADLQPFP-NSHDSACASA-N -1 3 394.460 3.973 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000737061965 598431828 /nfs/dbraw/zinc/43/18/28/598431828.db2.gz HIRAGBGADLQPFP-NSHDSACASA-N -1 3 394.460 3.973 20 0 GHADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736958532 598447338 /nfs/dbraw/zinc/44/73/38/598447338.db2.gz UCOPYYQRGZJAOJ-UHFFFAOYSA-N -1 3 387.827 3.676 20 0 GHADHM COC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736958532 598447339 /nfs/dbraw/zinc/44/73/39/598447339.db2.gz UCOPYYQRGZJAOJ-UHFFFAOYSA-N -1 3 387.827 3.676 20 0 GHADHM Cc1cccc(C2(NC(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000737391100 598447844 /nfs/dbraw/zinc/44/78/44/598447844.db2.gz XVMCFAWESAWTPB-MRXNPFEDSA-N -1 3 391.475 3.528 20 0 GHADHM CC(C)(CCc1ccccc1)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735667020 598449615 /nfs/dbraw/zinc/44/96/15/598449615.db2.gz UEEGTQVLKMQNJK-UHFFFAOYSA-N -1 3 395.532 3.628 20 0 GHADHM CC(C)(CCc1ccccc1)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735667020 598449616 /nfs/dbraw/zinc/44/96/16/598449616.db2.gz UEEGTQVLKMQNJK-UHFFFAOYSA-N -1 3 395.532 3.628 20 0 GHADHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735671710 598450327 /nfs/dbraw/zinc/45/03/27/598450327.db2.gz CGIGKQKWJOTZSE-UHFFFAOYSA-N -1 3 375.354 3.551 20 0 GHADHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735671710 598450329 /nfs/dbraw/zinc/45/03/29/598450329.db2.gz CGIGKQKWJOTZSE-UHFFFAOYSA-N -1 3 375.354 3.551 20 0 GHADHM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736431322 598452267 /nfs/dbraw/zinc/45/22/67/598452267.db2.gz QJWSJTYEELRBKI-CQSZACIVSA-N -1 3 390.369 3.552 20 0 GHADHM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000736431322 598452269 /nfs/dbraw/zinc/45/22/69/598452269.db2.gz QJWSJTYEELRBKI-CQSZACIVSA-N -1 3 390.369 3.552 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nn[n-]n3)cc1)O[C@H](C)C2 ZINC000736636170 598467451 /nfs/dbraw/zinc/46/74/51/598467451.db2.gz PCXZBTJKVLRJHI-PZPSRYQVSA-N -1 3 377.448 3.557 20 0 GHADHM O=C(Nc1cccc2c1CCCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738182342 598475606 /nfs/dbraw/zinc/47/56/06/598475606.db2.gz DQKPTNQXNKXBPI-UHFFFAOYSA-N -1 3 388.475 3.942 20 0 GHADHM O=C(Nc1cccc2c1CCCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738182342 598475607 /nfs/dbraw/zinc/47/56/07/598475607.db2.gz DQKPTNQXNKXBPI-UHFFFAOYSA-N -1 3 388.475 3.942 20 0 GHADHM O=C(Nc1ccc(Cl)cc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738164377 598476036 /nfs/dbraw/zinc/47/60/36/598476036.db2.gz YAMJOXUCVGBNES-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM O=C(Nc1ccc(Cl)cc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738164377 598476038 /nfs/dbraw/zinc/47/60/38/598476038.db2.gz YAMJOXUCVGBNES-UHFFFAOYSA-N -1 3 386.818 3.856 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000736689472 598477994 /nfs/dbraw/zinc/47/79/94/598477994.db2.gz XCYTUGQCLZNDHC-OAHLLOKOSA-N -1 3 390.491 3.864 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000736689472 598477995 /nfs/dbraw/zinc/47/79/95/598477995.db2.gz XCYTUGQCLZNDHC-OAHLLOKOSA-N -1 3 390.491 3.864 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c2ccccc2n1 ZINC000737236955 598489940 /nfs/dbraw/zinc/48/99/40/598489940.db2.gz VUIDVJLOPUQEOQ-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c2ccccc2n1 ZINC000737236955 598489941 /nfs/dbraw/zinc/48/99/41/598489941.db2.gz VUIDVJLOPUQEOQ-UHFFFAOYSA-N -1 3 375.436 3.532 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1csc2ccccc12 ZINC000735659543 598490752 /nfs/dbraw/zinc/49/07/52/598490752.db2.gz CGLJAELYFPVIIM-UHFFFAOYSA-N -1 3 380.477 3.819 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1csc2ccccc12 ZINC000735659543 598490754 /nfs/dbraw/zinc/49/07/54/598490754.db2.gz CGLJAELYFPVIIM-UHFFFAOYSA-N -1 3 380.477 3.819 20 0 GHADHM O=[S@@](Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000738357795 598491678 /nfs/dbraw/zinc/49/16/78/598491678.db2.gz SFPUPIIFYVJCAG-VWLOTQADSA-N -1 3 386.786 3.847 20 0 GHADHM O=[S@@](Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000738357795 598491682 /nfs/dbraw/zinc/49/16/82/598491682.db2.gz SFPUPIIFYVJCAG-VWLOTQADSA-N -1 3 386.786 3.847 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)sc2nccc(C)c12 ZINC000737443840 598491697 /nfs/dbraw/zinc/49/16/97/598491697.db2.gz KWYAYQKCVWWLMY-UHFFFAOYSA-N -1 3 395.492 3.902 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)sc2nccc(C)c12 ZINC000737443840 598491698 /nfs/dbraw/zinc/49/16/98/598491698.db2.gz KWYAYQKCVWWLMY-UHFFFAOYSA-N -1 3 395.492 3.902 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738289611 598495341 /nfs/dbraw/zinc/49/53/41/598495341.db2.gz JVKLSCFASNLXQA-GOSISDBHSA-N -1 3 387.468 3.716 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738289611 598495342 /nfs/dbraw/zinc/49/53/42/598495342.db2.gz JVKLSCFASNLXQA-GOSISDBHSA-N -1 3 387.468 3.716 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000736637169 598498226 /nfs/dbraw/zinc/49/82/26/598498226.db2.gz PNODPPYHYPXPHL-UHFFFAOYSA-N -1 3 396.838 3.581 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000736637169 598498228 /nfs/dbraw/zinc/49/82/28/598498228.db2.gz PNODPPYHYPXPHL-UHFFFAOYSA-N -1 3 396.838 3.581 20 0 GHADHM CCSc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736665951 598513821 /nfs/dbraw/zinc/51/38/21/598513821.db2.gz JRKPKWFKDVXROF-ZDUSSCGKSA-N -1 3 382.493 3.597 20 0 GHADHM CCSc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736665951 598513823 /nfs/dbraw/zinc/51/38/23/598513823.db2.gz JRKPKWFKDVXROF-ZDUSSCGKSA-N -1 3 382.493 3.597 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC000736670346 598514921 /nfs/dbraw/zinc/51/49/21/598514921.db2.gz NAZLRIOPUUQXAP-LLVKDONJSA-N -1 3 397.504 3.694 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000736670346 598514923 /nfs/dbraw/zinc/51/49/23/598514923.db2.gz NAZLRIOPUUQXAP-LLVKDONJSA-N -1 3 397.504 3.694 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2ccc(C)cc2C)c1-c1nnn[n-]1 ZINC000736672145 598515498 /nfs/dbraw/zinc/51/54/98/598515498.db2.gz ZPROFDPXWLPUMX-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2ccc(C)cc2C)c1-c1nn[n-]n1 ZINC000736672145 598515499 /nfs/dbraw/zinc/51/54/99/598515499.db2.gz ZPROFDPXWLPUMX-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000736674595 598518725 /nfs/dbraw/zinc/51/87/25/598518725.db2.gz DUPMFKALALARNQ-UHFFFAOYSA-N -1 3 377.470 3.669 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000736674595 598518726 /nfs/dbraw/zinc/51/87/26/598518726.db2.gz DUPMFKALALARNQ-UHFFFAOYSA-N -1 3 377.470 3.669 20 0 GHADHM CCc1c(C)sc(NC(=O)c2oc3ccccc3c2COC)c1-c1nnn[n-]1 ZINC000736678977 598519027 /nfs/dbraw/zinc/51/90/27/598519027.db2.gz IEGNYSBPHUNLFX-UHFFFAOYSA-N -1 3 397.460 3.944 20 0 GHADHM CCc1c(C)sc(NC(=O)c2oc3ccccc3c2COC)c1-c1nn[n-]n1 ZINC000736678977 598519029 /nfs/dbraw/zinc/51/90/29/598519029.db2.gz IEGNYSBPHUNLFX-UHFFFAOYSA-N -1 3 397.460 3.944 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccccc2C(C)C)c1-c1nnn[n-]1 ZINC000736677092 598519255 /nfs/dbraw/zinc/51/92/55/598519255.db2.gz ZEKFHDJXMLKTDX-UHFFFAOYSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccccc2C(C)C)c1-c1nn[n-]n1 ZINC000736677092 598519256 /nfs/dbraw/zinc/51/92/56/598519256.db2.gz ZEKFHDJXMLKTDX-UHFFFAOYSA-N -1 3 385.493 3.940 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1OCC(F)(F)F ZINC000737218555 598527737 /nfs/dbraw/zinc/52/77/37/598527737.db2.gz MBLREXJYRWYNQT-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM Cc1c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1OCC(F)(F)F ZINC000737218555 598527739 /nfs/dbraw/zinc/52/77/39/598527739.db2.gz MBLREXJYRWYNQT-UHFFFAOYSA-N -1 3 392.341 3.760 20 0 GHADHM CN(C)c1nnc(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000736777783 598533312 /nfs/dbraw/zinc/53/33/12/598533312.db2.gz CLRUFACPACJOGF-UHFFFAOYSA-N -1 3 395.517 3.744 20 0 GHADHM CN(C)c1nnc(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000736777783 598533314 /nfs/dbraw/zinc/53/33/14/598533314.db2.gz CLRUFACPACJOGF-UHFFFAOYSA-N -1 3 395.517 3.744 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000736635555 598533423 /nfs/dbraw/zinc/53/34/23/598533423.db2.gz XMYJKWUXNZVHJF-UHFFFAOYSA-N -1 3 393.447 3.839 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000736635555 598533425 /nfs/dbraw/zinc/53/34/25/598533425.db2.gz XMYJKWUXNZVHJF-UHFFFAOYSA-N -1 3 393.447 3.839 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CC)Cc1ccccc1 ZINC000736479317 598534231 /nfs/dbraw/zinc/53/42/31/598534231.db2.gz DYWYMIDLDDQLBL-HXUWFJFHSA-N -1 3 392.507 3.810 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC)Cc1ccccc1 ZINC000736479317 598534233 /nfs/dbraw/zinc/53/42/33/598534233.db2.gz DYWYMIDLDDQLBL-HXUWFJFHSA-N -1 3 392.507 3.810 20 0 GHADHM Cc1sc(NC(=O)c2ccc(Br)cc2F)c(-c2nnn[n-]2)c1C ZINC000737563789 598535186 /nfs/dbraw/zinc/53/51/86/598535186.db2.gz QIWLISLWMIIUQM-UHFFFAOYSA-N -1 3 396.245 3.699 20 0 GHADHM Cc1sc(NC(=O)c2ccc(Br)cc2F)c(-c2nn[n-]n2)c1C ZINC000737563789 598535187 /nfs/dbraw/zinc/53/51/87/598535187.db2.gz QIWLISLWMIIUQM-UHFFFAOYSA-N -1 3 396.245 3.699 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1CCCc2ccccc21 ZINC000738146897 598545770 /nfs/dbraw/zinc/54/57/70/598545770.db2.gz SUBJIWNSAOWTSR-AWEZNQCLSA-N -1 3 385.374 3.527 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1CCCc2ccccc21 ZINC000738146897 598545772 /nfs/dbraw/zinc/54/57/72/598545772.db2.gz SUBJIWNSAOWTSR-AWEZNQCLSA-N -1 3 385.374 3.527 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc(Cl)ccc1F ZINC000738144250 598546044 /nfs/dbraw/zinc/54/60/44/598546044.db2.gz BMDAFSYPKCYTDV-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc(Cl)ccc1F ZINC000738144250 598546045 /nfs/dbraw/zinc/54/60/45/598546045.db2.gz BMDAFSYPKCYTDV-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735603907 598561567 /nfs/dbraw/zinc/56/15/67/598561567.db2.gz PWUDRHXILHMUPC-GFCCVEGCSA-N -1 3 394.426 3.901 20 0 GHADHM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735603907 598561569 /nfs/dbraw/zinc/56/15/69/598561569.db2.gz PWUDRHXILHMUPC-GFCCVEGCSA-N -1 3 394.426 3.901 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000736678296 598568181 /nfs/dbraw/zinc/56/81/81/598568181.db2.gz BFCAFVVPZQGHFZ-QWRGUYRKSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000736678296 598568183 /nfs/dbraw/zinc/56/81/83/598568183.db2.gz BFCAFVVPZQGHFZ-QWRGUYRKSA-N -1 3 375.404 3.511 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735904127 598569198 /nfs/dbraw/zinc/56/91/98/598569198.db2.gz LOMFZWZSKJUQOW-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735904127 598569200 /nfs/dbraw/zinc/56/92/00/598569200.db2.gz LOMFZWZSKJUQOW-KBPBESRZSA-N -1 3 399.401 3.674 20 0 GHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000736134336 598572074 /nfs/dbraw/zinc/57/20/74/598572074.db2.gz BRQSGQFZRZDCRR-VIFPVBQESA-N -1 3 377.326 3.787 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000736134336 598572076 /nfs/dbraw/zinc/57/20/76/598572076.db2.gz BRQSGQFZRZDCRR-VIFPVBQESA-N -1 3 377.326 3.787 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(-n3ccnc3)cc2)ccc1-c1nnn[n-]1 ZINC000737632067 598577942 /nfs/dbraw/zinc/57/79/42/598577942.db2.gz JIYBDDRHOKZSBE-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(-n3ccnc3)cc2)ccc1-c1nn[n-]n1 ZINC000737632067 598577944 /nfs/dbraw/zinc/57/79/44/598577944.db2.gz JIYBDDRHOKZSBE-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737326967 598585326 /nfs/dbraw/zinc/58/53/26/598585326.db2.gz VSDCABWRUWCTIG-UHFFFAOYSA-N -1 3 383.427 3.810 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737326967 598585328 /nfs/dbraw/zinc/58/53/28/598585328.db2.gz VSDCABWRUWCTIG-UHFFFAOYSA-N -1 3 383.427 3.810 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)cn3C(C)(C)C)c[nH]c21 ZINC000736694772 598586320 /nfs/dbraw/zinc/58/63/20/598586320.db2.gz CCKKXPBAAGTEGF-UHFFFAOYSA-N -1 3 391.479 3.648 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)cn3C(C)(C)C)c[nH]c21 ZINC000736694772 598586322 /nfs/dbraw/zinc/58/63/22/598586322.db2.gz CCKKXPBAAGTEGF-UHFFFAOYSA-N -1 3 391.479 3.648 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737848217 598586824 /nfs/dbraw/zinc/58/68/24/598586824.db2.gz PFFDCHGYRHBTGN-UHFFFAOYSA-N -1 3 377.379 3.567 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737848217 598586826 /nfs/dbraw/zinc/58/68/26/598586826.db2.gz PFFDCHGYRHBTGN-UHFFFAOYSA-N -1 3 377.379 3.567 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737441323 598591997 /nfs/dbraw/zinc/59/19/97/598591997.db2.gz DXJUWNJIUUDARQ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737441323 598591999 /nfs/dbraw/zinc/59/19/99/598591999.db2.gz DXJUWNJIUUDARQ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(=O)c1cccs1 ZINC000738167167 598598400 /nfs/dbraw/zinc/59/84/00/598598400.db2.gz NGSHPIMHHITYPH-UHFFFAOYSA-N -1 3 393.403 3.551 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(=O)c1cccs1 ZINC000738167167 598598402 /nfs/dbraw/zinc/59/84/02/598598402.db2.gz NGSHPIMHHITYPH-UHFFFAOYSA-N -1 3 393.403 3.551 20 0 GHADHM COc1cccc(-c2nc(CNc3ccc(F)c(-c4nnn[n-]4)c3)cs2)c1 ZINC000737120644 598602079 /nfs/dbraw/zinc/60/20/79/598602079.db2.gz QCMJXWDYMHDEKP-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM COc1cccc(-c2nc(CNc3ccc(F)c(-c4nn[n-]n4)c3)cs2)c1 ZINC000737120644 598602080 /nfs/dbraw/zinc/60/20/80/598602080.db2.gz QCMJXWDYMHDEKP-UHFFFAOYSA-N -1 3 382.424 3.750 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738432845 598611596 /nfs/dbraw/zinc/61/15/96/598611596.db2.gz JQDZPADZMAJFCI-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738432845 598611598 /nfs/dbraw/zinc/61/15/98/598611598.db2.gz JQDZPADZMAJFCI-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737588769 598618196 /nfs/dbraw/zinc/61/81/96/598618196.db2.gz AQPHQHNCTCJKOQ-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000737588769 598618197 /nfs/dbraw/zinc/61/81/97/598618197.db2.gz AQPHQHNCTCJKOQ-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM CCSc1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(=S)s1 ZINC000825679717 607848585 /nfs/dbraw/zinc/84/85/85/607848585.db2.gz AZMGWCFEARZFCK-UHFFFAOYSA-N -1 3 399.958 3.713 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000738162837 598628682 /nfs/dbraw/zinc/62/86/82/598628682.db2.gz NQBPTMJVAVUTFY-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000738162837 598628683 /nfs/dbraw/zinc/62/86/83/598628683.db2.gz NQBPTMJVAVUTFY-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM CCSc1nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(=S)s1 ZINC000825679717 607848586 /nfs/dbraw/zinc/84/85/86/607848586.db2.gz AZMGWCFEARZFCK-UHFFFAOYSA-N -1 3 399.958 3.713 20 0 GHADHM FC(F)(F)c1cc(Oc2ccc(-c3nn[n-]n3)cc2)nc(-c2cccnc2)n1 ZINC000737634262 598629261 /nfs/dbraw/zinc/62/92/61/598629261.db2.gz ZZCHRGOSFOOBAY-UHFFFAOYSA-N -1 3 385.309 3.530 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737211701 598634199 /nfs/dbraw/zinc/63/41/99/598634199.db2.gz OGMGNRLJJRXHTQ-UHFFFAOYSA-N -1 3 384.346 3.521 20 0 GHADHM Cc1c2cc(F)ccc2oc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737211701 598634201 /nfs/dbraw/zinc/63/42/01/598634201.db2.gz OGMGNRLJJRXHTQ-UHFFFAOYSA-N -1 3 384.346 3.521 20 0 GHADHM Cn1ccnc1[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000737616235 598637616 /nfs/dbraw/zinc/63/76/16/598637616.db2.gz QAQGHAGJVUSUBA-MRXNPFEDSA-N -1 3 383.818 3.594 20 0 GHADHM Cn1ccnc1[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000737616235 598637618 /nfs/dbraw/zinc/63/76/18/598637618.db2.gz QAQGHAGJVUSUBA-MRXNPFEDSA-N -1 3 383.818 3.594 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735798657 598644205 /nfs/dbraw/zinc/64/42/05/598644205.db2.gz XWPHNUOOLFJSTG-OAHLLOKOSA-N -1 3 394.479 3.999 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735798657 598644206 /nfs/dbraw/zinc/64/42/06/598644206.db2.gz XWPHNUOOLFJSTG-OAHLLOKOSA-N -1 3 394.479 3.999 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737344350 598645156 /nfs/dbraw/zinc/64/51/56/598645156.db2.gz FDERXXWJKDLBHP-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737344350 598645159 /nfs/dbraw/zinc/64/51/59/598645159.db2.gz FDERXXWJKDLBHP-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(Oc1ccccc1Cl)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738246058 598645676 /nfs/dbraw/zinc/64/56/76/598645676.db2.gz ABECPTVBXIRLHT-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(Oc1ccccc1Cl)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738246058 598645678 /nfs/dbraw/zinc/64/56/78/598645678.db2.gz ABECPTVBXIRLHT-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM COc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737138451 598645923 /nfs/dbraw/zinc/64/59/23/598645923.db2.gz IIIUTEDYGLOJJQ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737138451 598645925 /nfs/dbraw/zinc/64/59/25/598645925.db2.gz IIIUTEDYGLOJJQ-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000736103019 598646384 /nfs/dbraw/zinc/64/63/84/598646384.db2.gz VFYUGVOCALHSMG-CQSZACIVSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000736103019 598646385 /nfs/dbraw/zinc/64/63/85/598646385.db2.gz VFYUGVOCALHSMG-CQSZACIVSA-N -1 3 399.882 3.947 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736481541 598651820 /nfs/dbraw/zinc/65/18/20/598651820.db2.gz WFONIFDINZXPSG-UHFFFAOYSA-N -1 3 385.468 3.537 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736481541 598651821 /nfs/dbraw/zinc/65/18/21/598651821.db2.gz WFONIFDINZXPSG-UHFFFAOYSA-N -1 3 385.468 3.537 20 0 GHADHM Cc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737348404 598653269 /nfs/dbraw/zinc/65/32/69/598653269.db2.gz XTYIVMJILDYQSS-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM Cc1ccc(N(C)C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737348404 598653271 /nfs/dbraw/zinc/65/32/71/598653271.db2.gz XTYIVMJILDYQSS-UHFFFAOYSA-N -1 3 379.464 3.696 20 0 GHADHM CC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCCC1 ZINC000736222815 598654566 /nfs/dbraw/zinc/65/45/66/598654566.db2.gz KUFDGUCDVURZQJ-UHFFFAOYSA-N -1 3 378.436 3.507 20 0 GHADHM CC1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCCCC1 ZINC000736222815 598654568 /nfs/dbraw/zinc/65/45/68/598654568.db2.gz KUFDGUCDVURZQJ-UHFFFAOYSA-N -1 3 378.436 3.507 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736489982 598655240 /nfs/dbraw/zinc/65/52/40/598655240.db2.gz HHCPNHRYPKTSNG-UHFFFAOYSA-N -1 3 383.477 3.695 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736489982 598655241 /nfs/dbraw/zinc/65/52/41/598655241.db2.gz HHCPNHRYPKTSNG-UHFFFAOYSA-N -1 3 383.477 3.695 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)[C@H](C)C(C)C ZINC000736509184 598656177 /nfs/dbraw/zinc/65/61/77/598656177.db2.gz UFYNYMHFHONJSC-CQSZACIVSA-N -1 3 380.452 3.561 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)[C@H](C)C(C)C ZINC000736509184 598656178 /nfs/dbraw/zinc/65/61/78/598656178.db2.gz UFYNYMHFHONJSC-CQSZACIVSA-N -1 3 380.452 3.561 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736353790 598657387 /nfs/dbraw/zinc/65/73/87/598657387.db2.gz YISYMZHOCUKLKG-IBGZPJMESA-N -1 3 393.491 3.553 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736353790 598657389 /nfs/dbraw/zinc/65/73/89/598657389.db2.gz YISYMZHOCUKLKG-IBGZPJMESA-N -1 3 393.491 3.553 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000738149730 598661045 /nfs/dbraw/zinc/66/10/45/598661045.db2.gz GINMVLSRSDXVDA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000738149730 598661047 /nfs/dbraw/zinc/66/10/47/598661047.db2.gz GINMVLSRSDXVDA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)(C)SCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735643053 598668211 /nfs/dbraw/zinc/66/82/11/598668211.db2.gz KTTWJHNYMYKJIE-UHFFFAOYSA-N -1 3 397.504 3.921 20 0 GHADHM CC(C)(C)SCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735643053 598668213 /nfs/dbraw/zinc/66/82/13/598668213.db2.gz KTTWJHNYMYKJIE-UHFFFAOYSA-N -1 3 397.504 3.921 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC[C@H]1C1CC1 ZINC000738273779 598669538 /nfs/dbraw/zinc/66/95/38/598669538.db2.gz MRKOYHDYIPHMDL-IBGZPJMESA-N -1 3 375.432 3.674 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC[C@H]1C1CC1 ZINC000738273779 598669540 /nfs/dbraw/zinc/66/95/40/598669540.db2.gz MRKOYHDYIPHMDL-IBGZPJMESA-N -1 3 375.432 3.674 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737215861 598669641 /nfs/dbraw/zinc/66/96/41/598669641.db2.gz MEZVESIEECXNQV-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737215861 598669643 /nfs/dbraw/zinc/66/96/43/598669643.db2.gz MEZVESIEECXNQV-UHFFFAOYSA-N -1 3 391.262 3.923 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000738389075 598674235 /nfs/dbraw/zinc/67/42/35/598674235.db2.gz WFLUBPPPMMOPOT-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000738389075 598674236 /nfs/dbraw/zinc/67/42/36/598674236.db2.gz WFLUBPPPMMOPOT-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM FC(F)(F)COc1ccccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737628548 598698686 /nfs/dbraw/zinc/69/86/86/598698686.db2.gz XIYZOHDQGIEBMK-UHFFFAOYSA-N -1 3 394.353 3.656 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737183355 598701537 /nfs/dbraw/zinc/70/15/37/598701537.db2.gz ZNDZYCRIGGIQCR-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737183355 598701538 /nfs/dbraw/zinc/70/15/38/598701538.db2.gz ZNDZYCRIGGIQCR-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735680024 598702183 /nfs/dbraw/zinc/70/21/83/598702183.db2.gz QRPCOJZAKBNFOT-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735680024 598702184 /nfs/dbraw/zinc/70/21/84/598702184.db2.gz QRPCOJZAKBNFOT-UHFFFAOYSA-N -1 3 390.802 3.560 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738164113 598727000 /nfs/dbraw/zinc/72/70/00/598727000.db2.gz YHHCYOFRBGAORD-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738164113 598727002 /nfs/dbraw/zinc/72/70/02/598727002.db2.gz YHHCYOFRBGAORD-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737292561 598730228 /nfs/dbraw/zinc/73/02/28/598730228.db2.gz VILNIPMEXUHMSK-HNNXBMFYSA-N -1 3 382.855 3.850 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737292561 598730229 /nfs/dbraw/zinc/73/02/29/598730229.db2.gz VILNIPMEXUHMSK-HNNXBMFYSA-N -1 3 382.855 3.850 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000736298064 598731885 /nfs/dbraw/zinc/73/18/85/598731885.db2.gz OLBRQZFEMHCEQH-YWZLYKJASA-N -1 3 390.491 3.720 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000736298064 598731886 /nfs/dbraw/zinc/73/18/86/598731886.db2.gz OLBRQZFEMHCEQH-YWZLYKJASA-N -1 3 390.491 3.720 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000736060175 598741160 /nfs/dbraw/zinc/74/11/60/598741160.db2.gz ZJPMZNDKQCETDE-MRXNPFEDSA-N -1 3 387.443 3.872 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000736060175 598741161 /nfs/dbraw/zinc/74/11/61/598741161.db2.gz ZJPMZNDKQCETDE-MRXNPFEDSA-N -1 3 387.443 3.872 20 0 GHADHM CCS[C@H]1CCCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736668152 598741828 /nfs/dbraw/zinc/74/18/28/598741828.db2.gz XWJIGTGFWYPCBY-LBPRGKRZSA-N -1 3 396.973 3.825 20 0 GHADHM CCS[C@H]1CCCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736668152 598741829 /nfs/dbraw/zinc/74/18/29/598741829.db2.gz XWJIGTGFWYPCBY-LBPRGKRZSA-N -1 3 396.973 3.825 20 0 GHADHM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736137332 598747374 /nfs/dbraw/zinc/74/73/74/598747374.db2.gz JRUZAUQYVWHJPN-ZETCQYMHSA-N -1 3 375.223 3.618 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC000737418329 598758932 /nfs/dbraw/zinc/75/89/32/598758932.db2.gz ABUTUECAOMBJNP-GOSISDBHSA-N -1 3 382.443 3.511 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC000737418329 598758933 /nfs/dbraw/zinc/75/89/33/598758933.db2.gz ABUTUECAOMBJNP-GOSISDBHSA-N -1 3 382.443 3.511 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737423412 598764777 /nfs/dbraw/zinc/76/47/77/598764777.db2.gz RGZWLCVBPCVRMD-HXUWFJFHSA-N -1 3 393.516 3.676 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737423412 598764779 /nfs/dbraw/zinc/76/47/79/598764779.db2.gz RGZWLCVBPCVRMD-HXUWFJFHSA-N -1 3 393.516 3.676 20 0 GHADHM CCN(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1)C(C)C ZINC000736506331 598782085 /nfs/dbraw/zinc/78/20/85/598782085.db2.gz USLWXNPSXIBSGJ-UHFFFAOYSA-N -1 3 396.451 3.930 20 0 GHADHM CCN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1)C(C)C ZINC000736506331 598782087 /nfs/dbraw/zinc/78/20/87/598782087.db2.gz USLWXNPSXIBSGJ-UHFFFAOYSA-N -1 3 396.451 3.930 20 0 GHADHM C[C@H]1Cc2ccccc2N(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736297451 598788746 /nfs/dbraw/zinc/78/87/46/598788746.db2.gz MMWKCQJXGXRAJC-NSHDSACASA-N -1 3 384.896 3.916 20 0 GHADHM C[C@H]1Cc2ccccc2N(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736297451 598788747 /nfs/dbraw/zinc/78/87/47/598788747.db2.gz MMWKCQJXGXRAJC-NSHDSACASA-N -1 3 384.896 3.916 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CCc2ccccc21 ZINC000736626382 598789954 /nfs/dbraw/zinc/78/99/54/598789954.db2.gz HDSAGHGTIDMQED-AWEZNQCLSA-N -1 3 384.823 3.554 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CCc2ccccc21 ZINC000736626382 598789955 /nfs/dbraw/zinc/78/99/55/598789955.db2.gz HDSAGHGTIDMQED-AWEZNQCLSA-N -1 3 384.823 3.554 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735665237 598790944 /nfs/dbraw/zinc/79/09/44/598790944.db2.gz VYDSXTIRQPHRLA-UHFFFAOYSA-N -1 3 381.455 3.671 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735665237 598790945 /nfs/dbraw/zinc/79/09/45/598790945.db2.gz VYDSXTIRQPHRLA-UHFFFAOYSA-N -1 3 381.455 3.671 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737801093 598794493 /nfs/dbraw/zinc/79/44/93/598794493.db2.gz RUHPKYMITTYSGE-IZTUGPKFSA-N -1 3 381.386 3.522 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000737801093 598794494 /nfs/dbraw/zinc/79/44/94/598794494.db2.gz RUHPKYMITTYSGE-IZTUGPKFSA-N -1 3 381.386 3.522 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000736211577 598799419 /nfs/dbraw/zinc/79/94/19/598799419.db2.gz PBWXPUOEBHAWCU-UHFFFAOYSA-N -1 3 393.451 3.708 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738102855 598801499 /nfs/dbraw/zinc/80/14/99/598801499.db2.gz WJDAPDYSQFSBOH-GOSISDBHSA-N -1 3 396.882 3.861 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738102855 598801500 /nfs/dbraw/zinc/80/15/00/598801500.db2.gz WJDAPDYSQFSBOH-GOSISDBHSA-N -1 3 396.882 3.861 20 0 GHADHM CCOCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736611529 598805689 /nfs/dbraw/zinc/80/56/89/598805689.db2.gz RJCGSVGCQPQQID-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM CCOCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736611529 598805690 /nfs/dbraw/zinc/80/56/90/598805690.db2.gz RJCGSVGCQPQQID-UHFFFAOYSA-N -1 3 399.882 3.870 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738173199 598815352 /nfs/dbraw/zinc/81/53/52/598815352.db2.gz LCQYXDXWTOZXMV-UHFFFAOYSA-N -1 3 384.443 3.774 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738173199 598815355 /nfs/dbraw/zinc/81/53/55/598815355.db2.gz LCQYXDXWTOZXMV-UHFFFAOYSA-N -1 3 384.443 3.774 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737805007 598816632 /nfs/dbraw/zinc/81/66/32/598816632.db2.gz FKEQULUTEGVZAD-LAFDYMOFSA-N -1 3 387.374 3.687 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737805007 598816635 /nfs/dbraw/zinc/81/66/35/598816635.db2.gz FKEQULUTEGVZAD-LAFDYMOFSA-N -1 3 387.374 3.687 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000821608497 599297471 /nfs/dbraw/zinc/29/74/71/599297471.db2.gz KBCODCSQBQKLJQ-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000821608497 599297472 /nfs/dbraw/zinc/29/74/72/599297472.db2.gz KBCODCSQBQKLJQ-UHFFFAOYSA-N -1 3 390.369 3.635 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1nc2ccccc2nc1C ZINC000821752037 607367861 /nfs/dbraw/zinc/36/78/61/607367861.db2.gz FJBRTIVBVNDMTD-UHFFFAOYSA-N -1 3 378.461 3.560 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1nc2ccccc2nc1C ZINC000821752037 607367862 /nfs/dbraw/zinc/36/78/62/607367862.db2.gz FJBRTIVBVNDMTD-UHFFFAOYSA-N -1 3 378.461 3.560 20 0 GHADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197610 599314593 /nfs/dbraw/zinc/31/45/93/599314593.db2.gz BBWXTVYRCJONDI-KZULUSFZSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197610 599314596 /nfs/dbraw/zinc/31/45/96/599314596.db2.gz BBWXTVYRCJONDI-KZULUSFZSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@@H](SCc1nc(Cc2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192143 599326143 /nfs/dbraw/zinc/32/61/43/599326143.db2.gz KYXQFXSEOYTGIY-CYBMUJFWSA-N -1 3 378.461 3.835 20 0 GHADHM C[C@@H](SCc1nc(Cc2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192143 599326145 /nfs/dbraw/zinc/32/61/45/599326145.db2.gz KYXQFXSEOYTGIY-CYBMUJFWSA-N -1 3 378.461 3.835 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OCC(F)(F)F)c1 ZINC000736634535 599328109 /nfs/dbraw/zinc/32/81/09/599328109.db2.gz KLBKGLWVICWOSS-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCC(F)(F)F)c1 ZINC000736634535 599328112 /nfs/dbraw/zinc/32/81/12/599328112.db2.gz KLBKGLWVICWOSS-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM C[C@H](SCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192451 599328334 /nfs/dbraw/zinc/32/83/34/599328334.db2.gz YZMMKHPZYMHVGS-QDKFARMDSA-N -1 3 397.548 3.602 20 0 GHADHM C[C@H](SCC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192451 599328337 /nfs/dbraw/zinc/32/83/37/599328337.db2.gz YZMMKHPZYMHVGS-QDKFARMDSA-N -1 3 397.548 3.602 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000736190533 599328525 /nfs/dbraw/zinc/32/85/25/599328525.db2.gz TYQPHFMCJREBDU-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000736190533 599328527 /nfs/dbraw/zinc/32/85/27/599328527.db2.gz TYQPHFMCJREBDU-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM CC(C)(C)c1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000735657097 599329478 /nfs/dbraw/zinc/32/94/78/599329478.db2.gz ONHNXBTXZCTMJG-UHFFFAOYSA-N -1 3 391.435 3.952 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736188980 599330158 /nfs/dbraw/zinc/33/01/58/599330158.db2.gz NEIIRFGBBQDEOI-KKUMJFAQSA-N -1 3 381.505 3.927 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736188980 599330161 /nfs/dbraw/zinc/33/01/61/599330161.db2.gz NEIIRFGBBQDEOI-KKUMJFAQSA-N -1 3 381.505 3.927 20 0 GHADHM CCc1c(C(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000736666553 599331077 /nfs/dbraw/zinc/33/10/77/599331077.db2.gz LKDRWNMGPZKKSE-ZDUSSCGKSA-N -1 3 397.504 3.945 20 0 GHADHM CCc1c(C(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000736666553 599331080 /nfs/dbraw/zinc/33/10/80/599331080.db2.gz LKDRWNMGPZKKSE-ZDUSSCGKSA-N -1 3 397.504 3.945 20 0 GHADHM COCCn1c(C)cc(C(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737013777 599331449 /nfs/dbraw/zinc/33/14/49/599331449.db2.gz LFQZNGIKOPDUCE-HNNXBMFYSA-N -1 3 399.520 3.609 20 0 GHADHM COCCn1c(C)cc(C(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737013777 599331451 /nfs/dbraw/zinc/33/14/51/599331451.db2.gz LFQZNGIKOPDUCE-HNNXBMFYSA-N -1 3 399.520 3.609 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000819844667 599342257 /nfs/dbraw/zinc/34/22/57/599342257.db2.gz KNQZAEPEZZLGJZ-SFHVURJKSA-N -1 3 395.488 3.825 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000819844667 599342261 /nfs/dbraw/zinc/34/22/61/599342261.db2.gz KNQZAEPEZZLGJZ-SFHVURJKSA-N -1 3 395.488 3.825 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820218939 599345979 /nfs/dbraw/zinc/34/59/79/599345979.db2.gz BHVPYJPNHVVSLR-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820218939 599345982 /nfs/dbraw/zinc/34/59/82/599345982.db2.gz BHVPYJPNHVVSLR-OAHLLOKOSA-N -1 3 393.516 3.786 20 0 GHADHM O=c1nc(CSc2ccccc2-c2nnn[n-]2)[nH]c2sc3c(c21)CCCC3 ZINC000823657845 599348928 /nfs/dbraw/zinc/34/89/28/599348928.db2.gz VVBCMAOBIZHOGQ-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM O=c1nc(CSc2ccccc2-c2nn[n-]n2)[nH]c2sc3c(c21)CCCC3 ZINC000823657845 599348930 /nfs/dbraw/zinc/34/89/30/599348930.db2.gz VVBCMAOBIZHOGQ-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM COC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000736981159 599349996 /nfs/dbraw/zinc/34/99/96/599349996.db2.gz YFBZZAWJHXOFOI-CQSZACIVSA-N -1 3 381.333 3.824 20 0 GHADHM COC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736981159 599349999 /nfs/dbraw/zinc/34/99/99/599349999.db2.gz YFBZZAWJHXOFOI-CQSZACIVSA-N -1 3 381.333 3.824 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccccc2-c2nnn[n-]2)c2ccccc2S1 ZINC000820715355 599350258 /nfs/dbraw/zinc/35/02/58/599350258.db2.gz AOAKETKVXYOAMZ-ZDUSSCGKSA-N -1 3 397.529 3.876 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccccc2-c2nn[n-]n2)c2ccccc2S1 ZINC000820715355 599350261 /nfs/dbraw/zinc/35/02/61/599350261.db2.gz AOAKETKVXYOAMZ-ZDUSSCGKSA-N -1 3 397.529 3.876 20 0 GHADHM CCC[C@@H](Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OCC ZINC000821020789 599373827 /nfs/dbraw/zinc/37/38/27/599373827.db2.gz HXMNJYVUJNNUDF-LJQANCHMSA-N -1 3 395.463 3.589 20 0 GHADHM CCC[C@@H](Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OCC ZINC000821020789 599373829 /nfs/dbraw/zinc/37/38/29/599373829.db2.gz HXMNJYVUJNNUDF-LJQANCHMSA-N -1 3 395.463 3.589 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455067 599377867 /nfs/dbraw/zinc/37/78/67/599377867.db2.gz BXDQFHNZBSEMOL-PNHOKKKMSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455067 599377870 /nfs/dbraw/zinc/37/78/70/599377870.db2.gz BXDQFHNZBSEMOL-PNHOKKKMSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455068 599377944 /nfs/dbraw/zinc/37/79/44/599377944.db2.gz BXDQFHNZBSEMOL-VHKYSDTDSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455068 599377947 /nfs/dbraw/zinc/37/79/47/599377947.db2.gz BXDQFHNZBSEMOL-VHKYSDTDSA-N -1 3 379.464 3.722 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCOc1ccc(SC)cc1 ZINC000821699562 599382244 /nfs/dbraw/zinc/38/22/44/599382244.db2.gz UWSNQLKWLNNGFA-UHFFFAOYSA-N -1 3 392.868 3.708 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCOc1ccc(SC)cc1 ZINC000821699562 599382247 /nfs/dbraw/zinc/38/22/47/599382247.db2.gz UWSNQLKWLNNGFA-UHFFFAOYSA-N -1 3 392.868 3.708 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821572159 599388560 /nfs/dbraw/zinc/38/85/60/599388560.db2.gz TUTARLOSEWDWMD-UHFFFAOYSA-N -1 3 381.436 3.817 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821572159 599388563 /nfs/dbraw/zinc/38/85/63/599388563.db2.gz TUTARLOSEWDWMD-UHFFFAOYSA-N -1 3 381.436 3.817 20 0 GHADHM COc1ccc(Cl)cc1CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737098802 599400211 /nfs/dbraw/zinc/40/02/11/599400211.db2.gz FAZOKGFGYOUPRX-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM COc1ccc(Cl)cc1CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737098802 599400213 /nfs/dbraw/zinc/40/02/13/599400213.db2.gz FAZOKGFGYOUPRX-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM CC(C)c1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192315 599400753 /nfs/dbraw/zinc/40/07/53/599400753.db2.gz JDJKSMNOPSMYLN-ZDUSSCGKSA-N -1 3 382.443 3.690 20 0 GHADHM CC(C)c1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192315 599400755 /nfs/dbraw/zinc/40/07/55/599400755.db2.gz JDJKSMNOPSMYLN-ZDUSSCGKSA-N -1 3 382.443 3.690 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1cc(-c2nnn[n-]2)c2ccccc2n1)CC3 ZINC000737656351 599405127 /nfs/dbraw/zinc/40/51/27/599405127.db2.gz KUDXOIZARROORQ-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM Fc1ccc2[nH]c3c(c2c1)CN(c1cc(-c2nn[n-]n2)c2ccccc2n1)CC3 ZINC000737656351 599405129 /nfs/dbraw/zinc/40/51/29/599405129.db2.gz KUDXOIZARROORQ-UHFFFAOYSA-N -1 3 385.406 3.598 20 0 GHADHM C[C@@H](NC(=O)NCCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364927 599408724 /nfs/dbraw/zinc/40/87/24/599408724.db2.gz GUUYTYVWXPNNRD-OAHLLOKOSA-N -1 3 392.507 3.767 20 0 GHADHM C[C@@H](NC(=O)NCCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364927 599408729 /nfs/dbraw/zinc/40/87/29/599408729.db2.gz GUUYTYVWXPNNRD-OAHLLOKOSA-N -1 3 392.507 3.767 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1 ZINC000820920761 599417237 /nfs/dbraw/zinc/41/72/37/599417237.db2.gz SKPPXWREPLUHSL-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1 ZINC000820920761 599417239 /nfs/dbraw/zinc/41/72/39/599417239.db2.gz SKPPXWREPLUHSL-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356612 599422345 /nfs/dbraw/zinc/42/23/45/599422345.db2.gz AKINUZWTJONSOO-PIGZYNQJSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356612 599422347 /nfs/dbraw/zinc/42/23/47/599422347.db2.gz AKINUZWTJONSOO-PIGZYNQJSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820358323 599422638 /nfs/dbraw/zinc/42/26/38/599422638.db2.gz MIHJJOUBIFJPGU-PIGZYNQJSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820358323 599422640 /nfs/dbraw/zinc/42/26/40/599422640.db2.gz MIHJJOUBIFJPGU-PIGZYNQJSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373147 599424969 /nfs/dbraw/zinc/42/49/69/599424969.db2.gz FJIHVNDLKOOXAK-CQSZACIVSA-N -1 3 378.480 3.725 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373147 599424972 /nfs/dbraw/zinc/42/49/72/599424972.db2.gz FJIHVNDLKOOXAK-CQSZACIVSA-N -1 3 378.480 3.725 20 0 GHADHM CC(C)(C)c1csc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000735652945 599428359 /nfs/dbraw/zinc/42/83/59/599428359.db2.gz YWPJKVIGQFVVRG-UHFFFAOYSA-N -1 3 379.493 3.824 20 0 GHADHM CC(C)(C)c1csc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000735652945 599428361 /nfs/dbraw/zinc/42/83/61/599428361.db2.gz YWPJKVIGQFVVRG-UHFFFAOYSA-N -1 3 379.493 3.824 20 0 GHADHM c1ccc2c(c1)nc(NCCCc1nc3c(s1)CCCC3)cc2-c1nnn[n-]1 ZINC000738433362 599428560 /nfs/dbraw/zinc/42/85/60/599428560.db2.gz QTCVCALQPQFPDV-UHFFFAOYSA-N -1 3 391.504 3.795 20 0 GHADHM c1ccc2c(c1)nc(NCCCc1nc3c(s1)CCCC3)cc2-c1nn[n-]n1 ZINC000738433362 599428564 /nfs/dbraw/zinc/42/85/64/599428564.db2.gz QTCVCALQPQFPDV-UHFFFAOYSA-N -1 3 391.504 3.795 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357889 599430386 /nfs/dbraw/zinc/43/03/86/599430386.db2.gz KDGUAWVSWJTJRQ-AUUYWEPGSA-N -1 3 376.464 3.695 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357889 599430387 /nfs/dbraw/zinc/43/03/87/599430387.db2.gz KDGUAWVSWJTJRQ-AUUYWEPGSA-N -1 3 376.464 3.695 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc(Br)cc1Cl ZINC000822744528 599432180 /nfs/dbraw/zinc/43/21/80/599432180.db2.gz VSGURJPZFUTOOL-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(Br)cc1Cl ZINC000822744528 599432182 /nfs/dbraw/zinc/43/21/82/599432182.db2.gz VSGURJPZFUTOOL-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM Fc1ccc(N2CCC[C@@H](c3nc4ccccc4s3)C2)c(-c2nnn[n-]2)c1 ZINC000822778786 599466474 /nfs/dbraw/zinc/46/64/74/599466474.db2.gz NXYVAIUWKYCALE-GFCCVEGCSA-N -1 3 380.452 4.000 20 0 GHADHM Fc1ccc(N2CCC[C@@H](c3nc4ccccc4s3)C2)c(-c2nn[n-]n2)c1 ZINC000822778786 599466477 /nfs/dbraw/zinc/46/64/77/599466477.db2.gz NXYVAIUWKYCALE-GFCCVEGCSA-N -1 3 380.452 4.000 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736056868 599467626 /nfs/dbraw/zinc/46/76/26/599467626.db2.gz RYEMTDXOULQAFK-CQSZACIVSA-N -1 3 383.883 3.542 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736056868 599467628 /nfs/dbraw/zinc/46/76/28/599467628.db2.gz RYEMTDXOULQAFK-CQSZACIVSA-N -1 3 383.883 3.542 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341267 599473466 /nfs/dbraw/zinc/47/34/66/599473466.db2.gz PEZOHTDWPRRSLH-RYUDHWBXSA-N -1 3 386.406 3.609 20 0 GHADHM C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341267 599473468 /nfs/dbraw/zinc/47/34/68/599473468.db2.gz PEZOHTDWPRRSLH-RYUDHWBXSA-N -1 3 386.406 3.609 20 0 GHADHM COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821777639 599474769 /nfs/dbraw/zinc/47/47/69/599474769.db2.gz KFANVGXMSHJKFO-IFXJQAMLSA-N -1 3 394.479 3.633 20 0 GHADHM COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821777639 599474770 /nfs/dbraw/zinc/47/47/70/599474770.db2.gz KFANVGXMSHJKFO-IFXJQAMLSA-N -1 3 394.479 3.633 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822350263 599474801 /nfs/dbraw/zinc/47/48/01/599474801.db2.gz BRSJRNCWAFSRGV-KXBFYZLASA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822350263 599474802 /nfs/dbraw/zinc/47/48/02/599474802.db2.gz BRSJRNCWAFSRGV-KXBFYZLASA-N -1 3 376.464 3.783 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339616 599477732 /nfs/dbraw/zinc/47/77/32/599477732.db2.gz FBAPHEMKIRQDRI-AWEZNQCLSA-N -1 3 392.419 3.526 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339616 599477734 /nfs/dbraw/zinc/47/77/34/599477734.db2.gz FBAPHEMKIRQDRI-AWEZNQCLSA-N -1 3 392.419 3.526 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820876199 599479648 /nfs/dbraw/zinc/47/96/48/599479648.db2.gz NFYUSJPCEIBKHA-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820876199 599479650 /nfs/dbraw/zinc/47/96/50/599479650.db2.gz NFYUSJPCEIBKHA-GFCCVEGCSA-N -1 3 384.871 3.661 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000820116567 599494048 /nfs/dbraw/zinc/49/40/48/599494048.db2.gz KFFUQRKMTWQVRW-NZQKXSOJSA-N -1 3 387.487 3.508 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000820116567 599494049 /nfs/dbraw/zinc/49/40/49/599494049.db2.gz KFFUQRKMTWQVRW-NZQKXSOJSA-N -1 3 387.487 3.508 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(Cc2ccccc2)n1 ZINC000826252862 607381768 /nfs/dbraw/zinc/38/17/68/607381768.db2.gz VUTNSWVONMKGMW-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(Cc2ccccc2)n1 ZINC000826252862 607381770 /nfs/dbraw/zinc/38/17/70/607381770.db2.gz VUTNSWVONMKGMW-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1nc([C@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)sc1C ZINC000822437145 599509485 /nfs/dbraw/zinc/50/94/85/599509485.db2.gz WYEGIPMEZGCXHZ-NSHDSACASA-N -1 3 376.436 3.602 20 0 GHADHM Cc1nc([C@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)sc1C ZINC000822437145 599509488 /nfs/dbraw/zinc/50/94/88/599509488.db2.gz WYEGIPMEZGCXHZ-NSHDSACASA-N -1 3 376.436 3.602 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875807 599512334 /nfs/dbraw/zinc/51/23/34/599512334.db2.gz GHUCAQCQISNREN-UPJGQAATSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875807 599512336 /nfs/dbraw/zinc/51/23/36/599512336.db2.gz GHUCAQCQISNREN-UPJGQAATSA-N -1 3 391.475 3.935 20 0 GHADHM Cc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737215235 599513920 /nfs/dbraw/zinc/51/39/20/599513920.db2.gz FOLXRKKOLONOAQ-JTQLQIEISA-N -1 3 391.262 3.921 20 0 GHADHM Cc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737215235 599513921 /nfs/dbraw/zinc/51/39/21/599513921.db2.gz FOLXRKKOLONOAQ-JTQLQIEISA-N -1 3 391.262 3.921 20 0 GHADHM CC(C)Cn1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000820108522 599518535 /nfs/dbraw/zinc/51/85/35/599518535.db2.gz LUXCOROBMMINIF-OAHLLOKOSA-N -1 3 388.475 3.968 20 0 GHADHM CC(C)Cn1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000820108522 599518538 /nfs/dbraw/zinc/51/85/38/599518538.db2.gz LUXCOROBMMINIF-OAHLLOKOSA-N -1 3 388.475 3.968 20 0 GHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c(OC)c1 ZINC000737094833 599521145 /nfs/dbraw/zinc/52/11/45/599521145.db2.gz BCRSVCWFEMALGW-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822418779 599534954 /nfs/dbraw/zinc/53/49/54/599534954.db2.gz GBEPWSLBYDBLLM-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822418779 599534957 /nfs/dbraw/zinc/53/49/57/599534957.db2.gz GBEPWSLBYDBLLM-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737424826 599537160 /nfs/dbraw/zinc/53/71/60/599537160.db2.gz YFYLNZGTBLBZSV-LSDHHAIUSA-N -1 3 378.505 3.750 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737424826 599537162 /nfs/dbraw/zinc/53/71/62/599537162.db2.gz YFYLNZGTBLBZSV-LSDHHAIUSA-N -1 3 378.505 3.750 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccs1 ZINC000735569821 599538255 /nfs/dbraw/zinc/53/82/55/599538255.db2.gz INNJOWUYIXBZAD-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccs1 ZINC000735569821 599538258 /nfs/dbraw/zinc/53/82/58/599538258.db2.gz INNJOWUYIXBZAD-SNVBAGLBSA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820314844 599543322 /nfs/dbraw/zinc/54/33/22/599543322.db2.gz KWFYLHGGKMWWHN-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314844 599543325 /nfs/dbraw/zinc/54/33/25/599543325.db2.gz KWFYLHGGKMWWHN-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736059985 599543994 /nfs/dbraw/zinc/54/39/94/599543994.db2.gz YNSROFBOTDZDTF-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736059985 599543995 /nfs/dbraw/zinc/54/39/95/599543995.db2.gz YNSROFBOTDZDTF-LBPRGKRZSA-N -1 3 389.381 3.727 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000735905222 599544291 /nfs/dbraw/zinc/54/42/91/599544291.db2.gz YWSNQDPLOOVUNO-ZDUSSCGKSA-N -1 3 383.427 3.610 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000735905222 599544292 /nfs/dbraw/zinc/54/42/92/599544292.db2.gz YWSNQDPLOOVUNO-ZDUSSCGKSA-N -1 3 383.427 3.610 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737294052 599545249 /nfs/dbraw/zinc/54/52/49/599545249.db2.gz KSVLPGNOHLXDQC-UHFFFAOYSA-N -1 3 378.367 3.530 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737294052 599545251 /nfs/dbraw/zinc/54/52/51/599545251.db2.gz KSVLPGNOHLXDQC-UHFFFAOYSA-N -1 3 378.367 3.530 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820683649 599547219 /nfs/dbraw/zinc/54/72/19/599547219.db2.gz FGDDJQAVTHMLRB-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820683649 599547224 /nfs/dbraw/zinc/54/72/24/599547224.db2.gz FGDDJQAVTHMLRB-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000820684555 599547644 /nfs/dbraw/zinc/54/76/44/599547644.db2.gz RFECPNFCOTYFCG-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000820684555 599547646 /nfs/dbraw/zinc/54/76/46/599547646.db2.gz RFECPNFCOTYFCG-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422631 599549083 /nfs/dbraw/zinc/54/90/83/599549083.db2.gz QQLDDQLVKCYLIF-QFBILLFUSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422631 599549086 /nfs/dbraw/zinc/54/90/86/599549086.db2.gz QQLDDQLVKCYLIF-QFBILLFUSA-N -1 3 375.476 3.512 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)[C@H]1C ZINC000820708956 599549978 /nfs/dbraw/zinc/54/99/78/599549978.db2.gz ARVIOGXWCVQYJG-STQMWFEESA-N -1 3 397.508 3.566 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[C@H]1C ZINC000820708956 599549981 /nfs/dbraw/zinc/54/99/81/599549981.db2.gz ARVIOGXWCVQYJG-STQMWFEESA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@H](c2ccco2)C1 ZINC000820716729 599550552 /nfs/dbraw/zinc/55/05/52/599550552.db2.gz KPWVMSWGSWIZSP-PBHICJAKSA-N -1 3 397.504 3.693 20 0 GHADHM C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@H](c2ccco2)C1 ZINC000820716729 599550554 /nfs/dbraw/zinc/55/05/54/599550554.db2.gz KPWVMSWGSWIZSP-PBHICJAKSA-N -1 3 397.504 3.693 20 0 GHADHM C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820321376 599552291 /nfs/dbraw/zinc/55/22/91/599552291.db2.gz DQSIZIMIQMZLHB-AWEZNQCLSA-N -1 3 397.438 3.982 20 0 GHADHM C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820321376 599552293 /nfs/dbraw/zinc/55/22/93/599552293.db2.gz DQSIZIMIQMZLHB-AWEZNQCLSA-N -1 3 397.438 3.982 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000820741893 599555131 /nfs/dbraw/zinc/55/51/31/599555131.db2.gz GIQUXUSFJIPZEX-SUMWQHHRSA-N -1 3 379.468 3.648 20 0 GHADHM C[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000820741893 599555133 /nfs/dbraw/zinc/55/51/33/599555133.db2.gz GIQUXUSFJIPZEX-SUMWQHHRSA-N -1 3 379.468 3.648 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000737339833 599562891 /nfs/dbraw/zinc/56/28/91/599562891.db2.gz CESGYIDYLFAGSN-UHFFFAOYSA-N -1 3 388.431 3.784 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820571231 599563615 /nfs/dbraw/zinc/56/36/15/599563615.db2.gz WFIGLXFJDSFWOW-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820571231 599563616 /nfs/dbraw/zinc/56/36/16/599563616.db2.gz WFIGLXFJDSFWOW-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM O=C(NCc1ccc(Cl)o1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738102793 599566497 /nfs/dbraw/zinc/56/64/97/599566497.db2.gz DHZQIMOTWKLKAY-UHFFFAOYSA-N -1 3 394.822 3.787 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC000821890730 599566854 /nfs/dbraw/zinc/56/68/54/599566854.db2.gz OYHHBOXVTKSRSE-OAHLLOKOSA-N -1 3 386.459 3.726 20 0 GHADHM COc1ccccc1[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC000821890730 599566855 /nfs/dbraw/zinc/56/68/55/599566855.db2.gz OYHHBOXVTKSRSE-OAHLLOKOSA-N -1 3 386.459 3.726 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc2ccccc21 ZINC000821617982 599568531 /nfs/dbraw/zinc/56/85/31/599568531.db2.gz KODACRDEDOBRKP-UHFFFAOYSA-N -1 3 383.415 3.706 20 0 GHADHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc2ccccc21 ZINC000821617982 599568533 /nfs/dbraw/zinc/56/85/33/599568533.db2.gz KODACRDEDOBRKP-UHFFFAOYSA-N -1 3 383.415 3.706 20 0 GHADHM CSCC[C@@H](C)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737177102 599569857 /nfs/dbraw/zinc/56/98/57/599569857.db2.gz RGBOJYXQQWLELA-CQSZACIVSA-N -1 3 396.520 3.824 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(Cl)cc1 ZINC000821221769 599570574 /nfs/dbraw/zinc/57/05/74/599570574.db2.gz MIUGAWQSDFUJLY-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccc(Cl)cc1 ZINC000821221769 599570577 /nfs/dbraw/zinc/57/05/77/599570577.db2.gz MIUGAWQSDFUJLY-UHFFFAOYSA-N -1 3 395.854 3.592 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1C[C@H]2CCC[C@H]21 ZINC000738286351 599575171 /nfs/dbraw/zinc/57/51/71/599575171.db2.gz NAYHFLFXVGXJBY-CZUORRHYSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1C[C@H]2CCC[C@H]21 ZINC000738286351 599575173 /nfs/dbraw/zinc/57/51/73/599575173.db2.gz NAYHFLFXVGXJBY-CZUORRHYSA-N -1 3 377.473 3.642 20 0 GHADHM Clc1ccccc1N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822586422 599579830 /nfs/dbraw/zinc/57/98/30/599579830.db2.gz YDRUXSOWEAQYPE-GFCCVEGCSA-N -1 3 390.278 3.649 20 0 GHADHM Clc1ccccc1N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822586422 599579832 /nfs/dbraw/zinc/57/98/32/599579832.db2.gz YDRUXSOWEAQYPE-GFCCVEGCSA-N -1 3 390.278 3.649 20 0 GHADHM COc1ccc(Br)cc1Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821769223 599582705 /nfs/dbraw/zinc/58/27/05/599582705.db2.gz FPFLKLKAZAOHDQ-UHFFFAOYSA-N -1 3 398.673 3.837 20 0 GHADHM COc1ccc(Br)cc1Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821769223 599582707 /nfs/dbraw/zinc/58/27/07/599582707.db2.gz FPFLKLKAZAOHDQ-UHFFFAOYSA-N -1 3 398.673 3.837 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736364023 599601092 /nfs/dbraw/zinc/60/10/92/599601092.db2.gz PXVILMBPPHFVIU-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736364023 599601094 /nfs/dbraw/zinc/60/10/94/599601094.db2.gz PXVILMBPPHFVIU-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736059729 599607211 /nfs/dbraw/zinc/60/72/11/599607211.db2.gz WENUBCVWUMRKEV-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736059729 599607212 /nfs/dbraw/zinc/60/72/12/599607212.db2.gz WENUBCVWUMRKEV-LBPRGKRZSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736059728 599607597 /nfs/dbraw/zinc/60/75/97/599607597.db2.gz WENUBCVWUMRKEV-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736059728 599607599 /nfs/dbraw/zinc/60/75/99/599607599.db2.gz WENUBCVWUMRKEV-GFCCVEGCSA-N -1 3 390.365 3.808 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736300807 599608581 /nfs/dbraw/zinc/60/85/81/599608581.db2.gz GCXBKOTZFHQPMS-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736300807 599608583 /nfs/dbraw/zinc/60/85/83/599608583.db2.gz GCXBKOTZFHQPMS-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820225506 599621352 /nfs/dbraw/zinc/62/13/52/599621352.db2.gz KBWUYVQXOVNFFE-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820225506 599621353 /nfs/dbraw/zinc/62/13/53/599621353.db2.gz KBWUYVQXOVNFFE-CHWSQXEVSA-N -1 3 382.395 3.519 20 0 GHADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361421 599626215 /nfs/dbraw/zinc/62/62/15/599626215.db2.gz USHYRZHGQDCXML-LSSLULSBSA-N -1 3 382.464 3.551 20 0 GHADHM CCO[C@@H]1C[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361421 599626216 /nfs/dbraw/zinc/62/62/16/599626216.db2.gz USHYRZHGQDCXML-LSSLULSBSA-N -1 3 382.464 3.551 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2SCCc3sccc32)s1 ZINC000821465382 599630607 /nfs/dbraw/zinc/63/06/07/599630607.db2.gz FXPMKGUHYDLYAT-LBPRGKRZSA-N -1 3 377.520 3.521 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2SCCc3sccc32)s1 ZINC000821465382 599630608 /nfs/dbraw/zinc/63/06/08/599630608.db2.gz FXPMKGUHYDLYAT-LBPRGKRZSA-N -1 3 377.520 3.521 20 0 GHADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821787597 599632085 /nfs/dbraw/zinc/63/20/85/599632085.db2.gz VSPKMPUHXOYFOT-WTKPLQERSA-N -1 3 389.337 3.546 20 0 GHADHM COc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821787597 599632086 /nfs/dbraw/zinc/63/20/86/599632086.db2.gz VSPKMPUHXOYFOT-WTKPLQERSA-N -1 3 389.337 3.546 20 0 GHADHM O=C(CCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822983524 599632496 /nfs/dbraw/zinc/63/24/96/599632496.db2.gz PLTJCSVGYZEZOQ-UHFFFAOYSA-N -1 3 397.307 3.735 20 0 GHADHM O=C(CCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822983524 599632497 /nfs/dbraw/zinc/63/24/97/599632497.db2.gz PLTJCSVGYZEZOQ-UHFFFAOYSA-N -1 3 397.307 3.735 20 0 GHADHM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823065947 599633189 /nfs/dbraw/zinc/63/31/89/599633189.db2.gz FXVFPHUZVDLSLS-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823065947 599633190 /nfs/dbraw/zinc/63/31/90/599633190.db2.gz FXVFPHUZVDLSLS-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM Cc1cccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822299615 599633718 /nfs/dbraw/zinc/63/37/18/599633718.db2.gz PAQRRVRNXDPMSF-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1cccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822299615 599633719 /nfs/dbraw/zinc/63/37/19/599633719.db2.gz PAQRRVRNXDPMSF-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1 ZINC000820570336 599636220 /nfs/dbraw/zinc/63/62/20/599636220.db2.gz HOAAHXYQJLEUFM-CQSZACIVSA-N -1 3 387.447 3.642 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000820570336 599636221 /nfs/dbraw/zinc/63/62/21/599636221.db2.gz HOAAHXYQJLEUFM-CQSZACIVSA-N -1 3 387.447 3.642 20 0 GHADHM Cc1cccc(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C(C)C)c1 ZINC000822309438 599637932 /nfs/dbraw/zinc/63/79/32/599637932.db2.gz YRDPGBHBTQBOHI-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM Cc1cccc(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C(C)C)c1 ZINC000822309438 599637933 /nfs/dbraw/zinc/63/79/33/599637933.db2.gz YRDPGBHBTQBOHI-UHFFFAOYSA-N -1 3 375.436 3.640 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820967169 599648221 /nfs/dbraw/zinc/64/82/21/599648221.db2.gz LERAEDBWAAZVLR-SWLSCSKDSA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820967169 599648222 /nfs/dbraw/zinc/64/82/22/599648222.db2.gz LERAEDBWAAZVLR-SWLSCSKDSA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820967598 599655930 /nfs/dbraw/zinc/65/59/30/599655930.db2.gz QTTHDGPWSYUNID-PBHICJAKSA-N -1 3 377.448 3.920 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967598 599655931 /nfs/dbraw/zinc/65/59/31/599655931.db2.gz QTTHDGPWSYUNID-PBHICJAKSA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820076293 599657297 /nfs/dbraw/zinc/65/72/97/599657297.db2.gz FSAQYGLQPFCJML-UHFFFAOYSA-N -1 3 379.464 3.863 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820076293 599657298 /nfs/dbraw/zinc/65/72/98/599657298.db2.gz FSAQYGLQPFCJML-UHFFFAOYSA-N -1 3 379.464 3.863 20 0 GHADHM CCc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000821499456 599660052 /nfs/dbraw/zinc/66/00/52/599660052.db2.gz KPAVLIQQWTWBCC-UHFFFAOYSA-N -1 3 391.387 3.566 20 0 GHADHM CCc1cnc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000821499456 599660053 /nfs/dbraw/zinc/66/00/53/599660053.db2.gz KPAVLIQQWTWBCC-UHFFFAOYSA-N -1 3 391.387 3.566 20 0 GHADHM Cc1cc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc2n1 ZINC000822201121 599660277 /nfs/dbraw/zinc/66/02/77/599660277.db2.gz RKGUMFUEBQGXSR-UHFFFAOYSA-N -1 3 391.456 3.559 20 0 GHADHM Cc1cc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC000822201121 599660278 /nfs/dbraw/zinc/66/02/78/599660278.db2.gz RKGUMFUEBQGXSR-UHFFFAOYSA-N -1 3 391.456 3.559 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357774 599666555 /nfs/dbraw/zinc/66/65/55/599666555.db2.gz JUDGAWMFALNBER-KUHUBIRLSA-N -1 3 388.431 3.610 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357774 599666556 /nfs/dbraw/zinc/66/65/56/599666556.db2.gz JUDGAWMFALNBER-KUHUBIRLSA-N -1 3 388.431 3.610 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2ccccc2s1 ZINC000820368234 599674764 /nfs/dbraw/zinc/67/47/64/599674764.db2.gz YJMFGQRBOHZNLF-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2ccccc2s1 ZINC000820368234 599674765 /nfs/dbraw/zinc/67/47/65/599674765.db2.gz YJMFGQRBOHZNLF-LLVKDONJSA-N -1 3 396.451 3.781 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCCC[C@@H]1c1ccccc1 ZINC000823235543 599679002 /nfs/dbraw/zinc/67/90/02/599679002.db2.gz WTGXHCYKTSNHEH-LJQANCHMSA-N -1 3 394.454 3.833 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCCC[C@@H]1c1ccccc1 ZINC000823235543 599679003 /nfs/dbraw/zinc/67/90/03/599679003.db2.gz WTGXHCYKTSNHEH-LJQANCHMSA-N -1 3 394.454 3.833 20 0 GHADHM CCN(Cc1nc([C@H](C)OCC(C)C)no1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230769 599683921 /nfs/dbraw/zinc/68/39/21/599683921.db2.gz QUNWLMOAKXXLQK-CABCVRRESA-N -1 3 399.499 3.566 20 0 GHADHM CCN(Cc1nc([C@H](C)OCC(C)C)no1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230769 599683922 /nfs/dbraw/zinc/68/39/22/599683922.db2.gz QUNWLMOAKXXLQK-CABCVRRESA-N -1 3 399.499 3.566 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(-n2cccn2)c1 ZINC000820452084 599687038 /nfs/dbraw/zinc/68/70/38/599687038.db2.gz ZKRLQKPFJUTJFW-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(-n2cccn2)c1 ZINC000820452084 599687039 /nfs/dbraw/zinc/68/70/39/599687039.db2.gz ZKRLQKPFJUTJFW-AWEZNQCLSA-N -1 3 382.431 3.774 20 0 GHADHM CSCc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826229126 607393301 /nfs/dbraw/zinc/39/33/01/607393301.db2.gz QCLAHARNACTHFK-UHFFFAOYSA-N -1 3 380.477 3.541 20 0 GHADHM CSCc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826229126 607393303 /nfs/dbraw/zinc/39/33/03/607393303.db2.gz QCLAHARNACTHFK-UHFFFAOYSA-N -1 3 380.477 3.541 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1-c1nnn[n-]1 ZINC000820170105 607397185 /nfs/dbraw/zinc/39/71/85/607397185.db2.gz QBDOKYXUFZQTBV-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1-c1nn[n-]n1 ZINC000820170105 607397187 /nfs/dbraw/zinc/39/71/87/607397187.db2.gz QBDOKYXUFZQTBV-UHFFFAOYSA-N -1 3 396.432 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820160095 607399628 /nfs/dbraw/zinc/39/96/28/607399628.db2.gz GRGHPKKQILFUNU-CQSZACIVSA-N -1 3 393.447 3.502 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820160095 607399630 /nfs/dbraw/zinc/39/96/30/607399630.db2.gz GRGHPKKQILFUNU-CQSZACIVSA-N -1 3 393.447 3.502 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cccc(F)c2Cl)cc1-c1nnn[n-]1 ZINC000820174811 607400848 /nfs/dbraw/zinc/40/08/48/607400848.db2.gz YMAXMAFDGHDSBU-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cccc(F)c2Cl)cc1-c1nn[n-]n1 ZINC000820174811 607400849 /nfs/dbraw/zinc/40/08/49/607400849.db2.gz YMAXMAFDGHDSBU-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM Cc1cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)oc1C(=O)[O-] ZINC000571097370 599851627 /nfs/dbraw/zinc/85/16/27/599851627.db2.gz UCPCTVJIKHWPDV-AWEZNQCLSA-N -1 3 385.395 3.855 20 0 GHADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822021243 607402669 /nfs/dbraw/zinc/40/26/69/607402669.db2.gz XMXUAYLWUWTKGK-UHFFFAOYSA-N -1 3 377.404 3.961 20 0 GHADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822021243 607402671 /nfs/dbraw/zinc/40/26/71/607402671.db2.gz XMXUAYLWUWTKGK-UHFFFAOYSA-N -1 3 377.404 3.961 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ncoc1-c1ccccc1Cl ZINC000826254247 607405174 /nfs/dbraw/zinc/40/51/74/607405174.db2.gz BDNBSFVFOPDYLC-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ncoc1-c1ccccc1Cl ZINC000826254247 607405176 /nfs/dbraw/zinc/40/51/76/607405176.db2.gz BDNBSFVFOPDYLC-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738307781 600009547 /nfs/dbraw/zinc/00/95/47/600009547.db2.gz KLXSTIKYNRWALJ-UHFFFAOYSA-N -1 3 384.480 3.705 20 0 GHADHM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000737079865 600090455 /nfs/dbraw/zinc/09/04/55/600090455.db2.gz UVOVKFALKKIZJR-HKUYNNGSSA-N -1 3 397.519 3.670 20 0 GHADHM CC[C@@](NCc1cc(Br)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736918605 600131913 /nfs/dbraw/zinc/13/19/13/600131913.db2.gz UUZAFUWXHRFITJ-SFHVURJKSA-N -1 3 378.266 3.937 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821882721 607428502 /nfs/dbraw/zinc/42/85/02/607428502.db2.gz JARHQVDBAIRSIJ-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821882721 607428503 /nfs/dbraw/zinc/42/85/03/607428503.db2.gz JARHQVDBAIRSIJ-ZDUSSCGKSA-N -1 3 396.451 3.545 20 0 GHADHM CNC(=O)c1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000737550193 600284566 /nfs/dbraw/zinc/28/45/66/600284566.db2.gz HOSOQDYFXCFANI-MRXNPFEDSA-N -1 3 381.259 3.611 20 0 GHADHM O=C([O-])c1occc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000740282414 600287371 /nfs/dbraw/zinc/28/73/71/600287371.db2.gz YDAPTISOOWAJOM-UHFFFAOYSA-N -1 3 380.803 3.621 20 0 GHADHM C[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390417448 600287729 /nfs/dbraw/zinc/28/77/29/600287729.db2.gz IAMXYPRBHUHCFA-ZDUSSCGKSA-N -1 3 375.856 3.680 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736633025 600288014 /nfs/dbraw/zinc/28/80/14/600288014.db2.gz IXNINPIXJIOBTR-RZQQEMMASA-N -1 3 380.488 3.592 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736633089 600309658 /nfs/dbraw/zinc/30/96/58/600309658.db2.gz KFQKTOPXZVNXCK-YRNRMSPPSA-N -1 3 380.488 3.592 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390435379 600379907 /nfs/dbraw/zinc/37/99/07/600379907.db2.gz RSKNPYBJULUNEM-ZDUSSCGKSA-N -1 3 375.856 3.680 20 0 GHADHM O=C([O-])c1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000739403270 600398059 /nfs/dbraw/zinc/39/80/59/600398059.db2.gz GZEWYRFDKZAFBK-OAHLLOKOSA-N -1 3 377.441 3.544 20 0 GHADHM CN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000737337266 600408031 /nfs/dbraw/zinc/40/80/31/600408031.db2.gz WVDOBVFVJGYXRD-MRXNPFEDSA-N -1 3 382.888 3.797 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736490656 600522391 /nfs/dbraw/zinc/52/23/91/600522391.db2.gz ANDDVMFUWGLKTP-CVEARBPZSA-N -1 3 384.476 3.528 20 0 GHADHM CC[C@H](C)[C@H](C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825051862 607467664 /nfs/dbraw/zinc/46/76/64/607467664.db2.gz TVVLLDFCOMOFNK-UGSOOPFHSA-N -1 3 387.447 3.578 20 0 GHADHM CC[C@H](C)[C@H](C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825051862 607467665 /nfs/dbraw/zinc/46/76/65/607467665.db2.gz TVVLLDFCOMOFNK-UGSOOPFHSA-N -1 3 387.447 3.578 20 0 GHADHM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(F)cc2)c(SC)cc1OC ZINC000737881810 600795243 /nfs/dbraw/zinc/79/52/43/600795243.db2.gz RVRBDALAMKHYHB-SFHVURJKSA-N -1 3 379.453 3.823 20 0 GHADHM O[C@H](C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673109 607469083 /nfs/dbraw/zinc/46/90/83/607469083.db2.gz IGRUIKPJKDRKBL-RDTXWAMCSA-N -1 3 387.846 3.752 20 0 GHADHM O[C@H](C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000823673109 607469085 /nfs/dbraw/zinc/46/90/85/607469085.db2.gz IGRUIKPJKDRKBL-RDTXWAMCSA-N -1 3 387.846 3.752 20 0 GHADHM CCN(CC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000829687968 600800836 /nfs/dbraw/zinc/80/08/36/600800836.db2.gz SDGAMKMYDITRFM-UHFFFAOYSA-N -1 3 394.487 3.993 20 0 GHADHM COc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821882913 607480713 /nfs/dbraw/zinc/48/07/13/607480713.db2.gz NLVABPSZHDPQOZ-NRFANRHFSA-N -1 3 389.434 3.894 20 0 GHADHM COc1ccccc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821882913 607480715 /nfs/dbraw/zinc/48/07/15/607480715.db2.gz NLVABPSZHDPQOZ-NRFANRHFSA-N -1 3 389.434 3.894 20 0 GHADHM COc1ccccc1CN(Cc1cccs1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826219497 607483144 /nfs/dbraw/zinc/48/31/44/607483144.db2.gz DZOMAHLVIHXFSG-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM COc1ccccc1CN(Cc1cccs1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826219497 607483145 /nfs/dbraw/zinc/48/31/45/607483145.db2.gz DZOMAHLVIHXFSG-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828277689 601023461 /nfs/dbraw/zinc/02/34/61/601023461.db2.gz LGMFZYMCYOFTBQ-MRXNPFEDSA-N -1 3 382.464 3.905 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000652430590 601034461 /nfs/dbraw/zinc/03/44/61/601034461.db2.gz PDZAWPDKQLRHDJ-WMZOPIPTSA-N -1 3 398.528 3.504 20 0 GHADHM CN(Cc1ccc(-n2ccnc2)nc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830811093 601416483 /nfs/dbraw/zinc/41/64/83/601416483.db2.gz MHFZOEYTDCFCAR-KRWDZBQOSA-N -1 3 391.258 3.832 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000830363840 601418301 /nfs/dbraw/zinc/41/83/01/601418301.db2.gz YBFDAQHLCWQWTE-ZDUSSCGKSA-N -1 3 380.485 3.665 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000826043988 601652181 /nfs/dbraw/zinc/65/21/81/601652181.db2.gz AJHLYSNPDWYAOF-SAWYMBPVSA-N -1 3 380.488 3.574 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000426757825 601656135 /nfs/dbraw/zinc/65/61/35/601656135.db2.gz FTYIFMZQANHNLP-BDJLRTHQSA-N -1 3 392.249 3.729 20 0 GHADHM CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000830608983 601724816 /nfs/dbraw/zinc/72/48/16/601724816.db2.gz OLBHYNJWYIRVGR-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM O=C([O-])[C@H](NCc1ccccc1Cn1cncn1)c1cc(Cl)cc(Cl)c1 ZINC000833169402 601973904 /nfs/dbraw/zinc/97/39/04/601973904.db2.gz HZGZZXWJIDEAFO-QGZVFWFLSA-N -1 3 391.258 3.549 20 0 GHADHM CCCCSc1nnc(SCc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000825296327 607536887 /nfs/dbraw/zinc/53/68/87/607536887.db2.gz DOAMNRMYJBKTPL-UHFFFAOYSA-N -1 3 394.551 3.911 20 0 GHADHM CCCCSc1nnc(SCc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000825296327 607536888 /nfs/dbraw/zinc/53/68/88/607536888.db2.gz DOAMNRMYJBKTPL-UHFFFAOYSA-N -1 3 394.551 3.911 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828176873 602037527 /nfs/dbraw/zinc/03/75/27/602037527.db2.gz LYIXGPYLVASISJ-XJKSGUPXSA-N -1 3 386.427 3.700 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCN1Cc1ccccc1 ZINC000828276373 602382681 /nfs/dbraw/zinc/38/26/81/602382681.db2.gz BJVATRXUKONOCV-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000825971485 607572437 /nfs/dbraw/zinc/57/24/37/607572437.db2.gz IKZQPIHORCHVKZ-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000825971485 607572439 /nfs/dbraw/zinc/57/24/39/607572439.db2.gz IKZQPIHORCHVKZ-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CC1=C(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000824851638 607577157 /nfs/dbraw/zinc/57/71/57/607577157.db2.gz BGNWJJZIZAWYRQ-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM CC1=C(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000824851638 607577159 /nfs/dbraw/zinc/57/71/59/607577159.db2.gz BGNWJJZIZAWYRQ-UHFFFAOYSA-N -1 3 375.432 3.885 20 0 GHADHM COc1ccc(CNC(=O)C(C)(C)CCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000826196137 607590554 /nfs/dbraw/zinc/59/05/54/607590554.db2.gz REHDZKPOKHRMQI-UHFFFAOYSA-N -1 3 393.491 3.541 20 0 GHADHM COc1ccc(CNC(=O)C(C)(C)CCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000826196137 607590555 /nfs/dbraw/zinc/59/05/55/607590555.db2.gz REHDZKPOKHRMQI-UHFFFAOYSA-N -1 3 393.491 3.541 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000740707961 603041740 /nfs/dbraw/zinc/04/17/40/603041740.db2.gz WBLRLNZUHKPSMB-MRXNPFEDSA-N -1 3 386.427 3.702 20 0 GHADHM O=C([O-])NC[C@@H]1CCCC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000832516132 603172749 /nfs/dbraw/zinc/17/27/49/603172749.db2.gz TVDUHGINIBWRJY-WMLDXEAASA-N -1 3 375.494 3.638 20 0 GHADHM CCN(CC1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1)C(=O)[O-] ZINC000827100294 603513882 /nfs/dbraw/zinc/51/38/82/603513882.db2.gz XAMRENIECUKXOC-UHFFFAOYSA-N -1 3 383.492 3.873 20 0 GHADHM CCN(CC1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1)C(=O)[O-] ZINC000827100341 603736277 /nfs/dbraw/zinc/73/62/77/603736277.db2.gz YQQHMLCKJPVYOR-UHFFFAOYSA-N -1 3 379.526 3.672 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000826245366 607653191 /nfs/dbraw/zinc/65/31/91/607653191.db2.gz VPOFWFLKQRXHIY-UHFFFAOYSA-N -1 3 386.459 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000826245366 607653192 /nfs/dbraw/zinc/65/31/92/607653192.db2.gz VPOFWFLKQRXHIY-UHFFFAOYSA-N -1 3 386.459 3.676 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3C)oc21 ZINC000825654318 607650742 /nfs/dbraw/zinc/65/07/42/607650742.db2.gz WYTCFKZJUKPASR-CYBMUJFWSA-N -1 3 391.431 3.811 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3C)oc21 ZINC000825654318 607650744 /nfs/dbraw/zinc/65/07/44/607650744.db2.gz WYTCFKZJUKPASR-CYBMUJFWSA-N -1 3 391.431 3.811 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000826247344 607654993 /nfs/dbraw/zinc/65/49/93/607654993.db2.gz ZZNZFMGBLYLREE-SFHVURJKSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000826247344 607654995 /nfs/dbraw/zinc/65/49/95/607654995.db2.gz ZZNZFMGBLYLREE-SFHVURJKSA-N -1 3 389.463 3.569 20 0 GHADHM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)sc1-c1ccccc1 ZINC000826250540 607667317 /nfs/dbraw/zinc/66/73/17/607667317.db2.gz GEHQPIPDDIQXNZ-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)sc1-c1ccccc1 ZINC000826250540 607667319 /nfs/dbraw/zinc/66/73/19/607667319.db2.gz GEHQPIPDDIQXNZ-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C([O-])NCCCOC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000832632893 604105033 /nfs/dbraw/zinc/10/50/33/604105033.db2.gz LSXSIHGSKWVILK-UHFFFAOYSA-N -1 3 377.872 3.527 20 0 GHADHM O=C([O-])N(CC1CC1)C1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000831826712 604231959 /nfs/dbraw/zinc/23/19/59/604231959.db2.gz VAXMYXAEONUFOM-KRWDZBQOSA-N -1 3 386.414 3.593 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000826249652 607681134 /nfs/dbraw/zinc/68/11/34/607681134.db2.gz NCLGLYKCGTYAHT-UHFFFAOYSA-N -1 3 381.484 3.676 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000826249652 607681136 /nfs/dbraw/zinc/68/11/36/607681136.db2.gz NCLGLYKCGTYAHT-UHFFFAOYSA-N -1 3 381.484 3.676 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1ccc(F)cc1F ZINC000825318582 607694951 /nfs/dbraw/zinc/69/49/51/607694951.db2.gz PYCJCITWGNGUBS-UHFFFAOYSA-N -1 3 385.418 3.516 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCc1ccc(F)cc1F ZINC000825318582 607694952 /nfs/dbraw/zinc/69/49/52/607694952.db2.gz PYCJCITWGNGUBS-UHFFFAOYSA-N -1 3 385.418 3.516 20 0 GHADHM C[C@H](Oc1ccc(CN(C)Cc2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000833536290 604519654 /nfs/dbraw/zinc/51/96/54/604519654.db2.gz ALVFXLSQQWYGNK-ZDUSSCGKSA-N -1 3 378.266 3.933 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc(C(F)(F)F)cs1 ZINC000825132572 607697778 /nfs/dbraw/zinc/69/77/78/607697778.db2.gz BCANHDHKHHEYOO-LLVKDONJSA-N -1 3 396.398 3.532 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc(C(F)(F)F)cs1 ZINC000825132572 607697779 /nfs/dbraw/zinc/69/77/79/607697779.db2.gz BCANHDHKHHEYOO-LLVKDONJSA-N -1 3 396.398 3.532 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000826246740 607706125 /nfs/dbraw/zinc/70/61/25/607706125.db2.gz KJSHHTGPEJVGMV-CYBMUJFWSA-N -1 3 395.438 3.594 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000826246740 607706126 /nfs/dbraw/zinc/70/61/26/607706126.db2.gz KJSHHTGPEJVGMV-CYBMUJFWSA-N -1 3 395.438 3.594 20 0 GHADHM CC[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(OC)cc1 ZINC000825081527 607714806 /nfs/dbraw/zinc/71/48/06/607714806.db2.gz KVAQMZMILYYQHA-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(OC)cc1 ZINC000825081527 607714807 /nfs/dbraw/zinc/71/48/07/607714807.db2.gz KVAQMZMILYYQHA-CYBMUJFWSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@@H]1C[C@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000833595450 604830045 /nfs/dbraw/zinc/83/00/45/604830045.db2.gz FOGDVKLQIGPINI-TZMCWYRMSA-N -1 3 379.913 3.984 20 0 GHADHM C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000833549543 604919087 /nfs/dbraw/zinc/91/90/87/604919087.db2.gz ZWZMVRRTBZIZBH-HNAYVOBHSA-N -1 3 384.501 3.892 20 0 GHADHM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000263484516 605076979 /nfs/dbraw/zinc/07/69/79/605076979.db2.gz OZQYEGIGJALVIM-FQEVSTJZSA-N -1 3 396.487 3.627 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824394299 607732948 /nfs/dbraw/zinc/73/29/48/607732948.db2.gz XCLRYCZZKNISDU-ZANVPECISA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824394299 607732950 /nfs/dbraw/zinc/73/29/50/607732950.db2.gz XCLRYCZZKNISDU-ZANVPECISA-N -1 3 383.399 3.871 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000825066368 607735239 /nfs/dbraw/zinc/73/52/39/607735239.db2.gz CDGUWSVGWAFIGJ-OAHLLOKOSA-N -1 3 397.454 3.663 20 0 GHADHM CC[C@@H](C)OCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000825066368 607735240 /nfs/dbraw/zinc/73/52/40/607735240.db2.gz CDGUWSVGWAFIGJ-OAHLLOKOSA-N -1 3 397.454 3.663 20 0 GHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000825501047 605117699 /nfs/dbraw/zinc/11/76/99/605117699.db2.gz AZTOMZYXEGQUFV-LSDHHAIUSA-N -1 3 383.448 3.823 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 ZINC000833414945 605181059 /nfs/dbraw/zinc/18/10/59/605181059.db2.gz TUXYNTKCXAVKGR-QGZVFWFLSA-N -1 3 399.472 3.783 20 0 GHADHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456858 607739934 /nfs/dbraw/zinc/73/99/34/607739934.db2.gz BJIINLKILZLIDZ-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456858 607739935 /nfs/dbraw/zinc/73/99/35/607739935.db2.gz BJIINLKILZLIDZ-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833538500 605550132 /nfs/dbraw/zinc/55/01/32/605550132.db2.gz CXFDTAVAQZJFHX-MRXNPFEDSA-N -1 3 387.451 3.859 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826277788 607763053 /nfs/dbraw/zinc/76/30/53/607763053.db2.gz GRAOTGWBGBJWHP-CQSZACIVSA-N -1 3 398.854 3.514 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826277788 607763054 /nfs/dbraw/zinc/76/30/54/607763054.db2.gz GRAOTGWBGBJWHP-CQSZACIVSA-N -1 3 398.854 3.514 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(F)(F)c1ccccc1 ZINC000826459715 607770035 /nfs/dbraw/zinc/77/00/35/607770035.db2.gz WJTSBWSRAWDRDJ-UHFFFAOYSA-N -1 3 398.398 3.721 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(F)(F)c1ccccc1 ZINC000826459715 607770036 /nfs/dbraw/zinc/77/00/36/607770036.db2.gz WJTSBWSRAWDRDJ-UHFFFAOYSA-N -1 3 398.398 3.721 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc2c(c1)CCC2 ZINC000826459469 607770763 /nfs/dbraw/zinc/77/07/63/607770763.db2.gz LDIMCPCBCASAMA-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc2c(c1)CCC2 ZINC000826459469 607770764 /nfs/dbraw/zinc/77/07/64/607770764.db2.gz LDIMCPCBCASAMA-UHFFFAOYSA-N -1 3 388.456 3.731 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc2c(s1)CCC2 ZINC000826459516 607770920 /nfs/dbraw/zinc/77/09/20/607770920.db2.gz MRDQMCPPJJLBDD-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc2c(s1)CCC2 ZINC000826459516 607770921 /nfs/dbraw/zinc/77/09/21/607770921.db2.gz MRDQMCPPJJLBDD-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccncc1 ZINC000824384535 607771125 /nfs/dbraw/zinc/77/11/25/607771125.db2.gz CZPOVCORGDNXPE-LBPRGKRZSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccncc1 ZINC000824384535 607771126 /nfs/dbraw/zinc/77/11/26/607771126.db2.gz CZPOVCORGDNXPE-LBPRGKRZSA-N -1 3 391.460 3.518 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826475859 607771741 /nfs/dbraw/zinc/77/17/41/607771741.db2.gz TWKUCESBBJRHLA-INIZCTEOSA-N -1 3 381.505 3.946 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826475859 607771742 /nfs/dbraw/zinc/77/17/42/607771742.db2.gz TWKUCESBBJRHLA-INIZCTEOSA-N -1 3 381.505 3.946 20 0 GHADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(N3CCCCC3=O)cc2)c2ccccc21 ZINC000834157057 605794397 /nfs/dbraw/zinc/79/43/97/605794397.db2.gz FLJBDBYQVKVJPF-UXHICEINSA-N -1 3 379.460 3.747 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821431364 606034088 /nfs/dbraw/zinc/03/40/88/606034088.db2.gz RLAQIHVQEQEFFJ-SFHVURJKSA-N -1 3 379.464 3.783 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821431364 606034093 /nfs/dbraw/zinc/03/40/93/606034093.db2.gz RLAQIHVQEQEFFJ-SFHVURJKSA-N -1 3 379.464 3.783 20 0 GHADHM Brc1csc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000819688855 606047957 /nfs/dbraw/zinc/04/79/57/606047957.db2.gz PBZBSCSXZYLVAP-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1csc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000819688855 606047963 /nfs/dbraw/zinc/04/79/63/606047963.db2.gz PBZBSCSXZYLVAP-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819857833 606102634 /nfs/dbraw/zinc/10/26/34/606102634.db2.gz VVKIZJOKCXDJET-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819857833 606102637 /nfs/dbraw/zinc/10/26/37/606102637.db2.gz VVKIZJOKCXDJET-SNVBAGLBSA-N -1 3 376.247 3.940 20 0 GHADHM O=C(CSCc1cccc(F)c1F)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823060749 606131257 /nfs/dbraw/zinc/13/12/57/606131257.db2.gz KGKICPKAVHDJSQ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM O=C(CSCc1cccc(F)c1F)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823060749 606131258 /nfs/dbraw/zinc/13/12/58/606131258.db2.gz KGKICPKAVHDJSQ-UHFFFAOYSA-N -1 3 395.822 3.670 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819899538 606154571 /nfs/dbraw/zinc/15/45/71/606154571.db2.gz WIBVEUCKDJMHJJ-UHFFFAOYSA-N -1 3 396.426 3.556 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819899538 606154573 /nfs/dbraw/zinc/15/45/73/606154573.db2.gz WIBVEUCKDJMHJJ-UHFFFAOYSA-N -1 3 396.426 3.556 20 0 GHADHM Cc1ncoc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000822482700 606174962 /nfs/dbraw/zinc/17/49/62/606174962.db2.gz XNTNUYSDYSVAMQ-JTQLQIEISA-N -1 3 386.481 3.628 20 0 GHADHM Cc1ncoc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000822482700 606174963 /nfs/dbraw/zinc/17/49/63/606174963.db2.gz XNTNUYSDYSVAMQ-JTQLQIEISA-N -1 3 386.481 3.628 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820548879 606178939 /nfs/dbraw/zinc/17/89/39/606178939.db2.gz HDFDWPOSCUMNMI-UONOGXRCSA-N -1 3 399.495 3.847 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820548879 606178941 /nfs/dbraw/zinc/17/89/41/606178941.db2.gz HDFDWPOSCUMNMI-UONOGXRCSA-N -1 3 399.495 3.847 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820727858 606187938 /nfs/dbraw/zinc/18/79/38/606187938.db2.gz PSMWJTVFBKHGFJ-BUXKBTBVSA-N -1 3 397.479 3.538 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820727858 606187940 /nfs/dbraw/zinc/18/79/40/606187940.db2.gz PSMWJTVFBKHGFJ-BUXKBTBVSA-N -1 3 397.479 3.538 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000821122948 606192586 /nfs/dbraw/zinc/19/25/86/606192586.db2.gz CZTTXPFNADJLMV-UHFFFAOYSA-N -1 3 395.448 3.657 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CNc2ccccc2)cc1 ZINC000823009337 606194813 /nfs/dbraw/zinc/19/48/13/606194813.db2.gz DHEGTJXFUHFMPX-UHFFFAOYSA-N -1 3 399.458 3.529 20 0 GHADHM CCc1ccc(C(C)(C)CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821476114 606198525 /nfs/dbraw/zinc/19/85/25/606198525.db2.gz IGHLIBGIDZQABD-UHFFFAOYSA-N -1 3 392.507 3.548 20 0 GHADHM CCc1ccc(C(C)(C)CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821476114 606198526 /nfs/dbraw/zinc/19/85/26/606198526.db2.gz IGHLIBGIDZQABD-UHFFFAOYSA-N -1 3 392.507 3.548 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821082200 606247721 /nfs/dbraw/zinc/24/77/21/606247721.db2.gz IIGQILJYURVSCK-UHFFFAOYSA-N -1 3 378.436 3.556 20 0 GHADHM CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821082200 606247722 /nfs/dbraw/zinc/24/77/22/606247722.db2.gz IIGQILJYURVSCK-UHFFFAOYSA-N -1 3 378.436 3.556 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)C1 ZINC000820696707 606263012 /nfs/dbraw/zinc/26/30/12/606263012.db2.gz BHNZTXWXFVZBFT-SUMWQHHRSA-N -1 3 380.452 3.542 20 0 GHADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)C1 ZINC000820696707 606263014 /nfs/dbraw/zinc/26/30/14/606263014.db2.gz BHNZTXWXFVZBFT-SUMWQHHRSA-N -1 3 380.452 3.542 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823071066 606265742 /nfs/dbraw/zinc/26/57/42/606265742.db2.gz ZSCQOTBUQKNLTM-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823071066 606265744 /nfs/dbraw/zinc/26/57/44/606265744.db2.gz ZSCQOTBUQKNLTM-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000821118211 606281202 /nfs/dbraw/zinc/28/12/02/606281202.db2.gz IQXWUUPWDLXGAE-UONOGXRCSA-N -1 3 398.417 3.709 20 0 GHADHM O=C1[C@@H](Sc2ccc3ccccc3c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513153 606311734 /nfs/dbraw/zinc/31/17/34/606311734.db2.gz TVSRBWICQZBKSI-INIZCTEOSA-N -1 3 393.497 3.979 20 0 GHADHM O=C1[C@@H](Sc2ccc3ccccc3c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513153 606311736 /nfs/dbraw/zinc/31/17/36/606311736.db2.gz TVSRBWICQZBKSI-INIZCTEOSA-N -1 3 393.497 3.979 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820555452 606323909 /nfs/dbraw/zinc/32/39/09/606323909.db2.gz LJFALKSSIKADDD-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820555452 606323911 /nfs/dbraw/zinc/32/39/11/606323911.db2.gz LJFALKSSIKADDD-JTQLQIEISA-N -1 3 382.474 3.596 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819835723 606338636 /nfs/dbraw/zinc/33/86/36/606338636.db2.gz YVAPMOAYOQJSHJ-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819835723 606338638 /nfs/dbraw/zinc/33/86/38/606338638.db2.gz YVAPMOAYOQJSHJ-OAHLLOKOSA-N -1 3 394.431 3.533 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821845624 606339629 /nfs/dbraw/zinc/33/96/29/606339629.db2.gz ISSVJCZBVYHPTE-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM COc1ccc(S[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821845624 606339631 /nfs/dbraw/zinc/33/96/31/606339631.db2.gz ISSVJCZBVYHPTE-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CCOCC2)cc1 ZINC000822231996 606347044 /nfs/dbraw/zinc/34/70/44/606347044.db2.gz PREMUDIALRHSGY-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM Cc1ccc(C2(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000822231996 606347047 /nfs/dbraw/zinc/34/70/47/606347047.db2.gz PREMUDIALRHSGY-MRXNPFEDSA-N -1 3 392.459 3.528 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820716531 606347045 /nfs/dbraw/zinc/34/70/45/606347045.db2.gz JDYNCGYHFVPLPT-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820716531 606347046 /nfs/dbraw/zinc/34/70/46/606347046.db2.gz JDYNCGYHFVPLPT-APPDUMDISA-N -1 3 384.390 3.760 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000820380666 606347123 /nfs/dbraw/zinc/34/71/23/606347123.db2.gz YBSSKCMPCPRLIV-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000820380666 606347125 /nfs/dbraw/zinc/34/71/25/606347125.db2.gz YBSSKCMPCPRLIV-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497749 606350458 /nfs/dbraw/zinc/35/04/58/606350458.db2.gz VGOQMUBXWLEXKE-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497749 606350459 /nfs/dbraw/zinc/35/04/59/606350459.db2.gz VGOQMUBXWLEXKE-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495720 606352406 /nfs/dbraw/zinc/35/24/06/606352406.db2.gz JKVCUMGZFPKYRK-GFCCVEGCSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495720 606352408 /nfs/dbraw/zinc/35/24/08/606352408.db2.gz JKVCUMGZFPKYRK-GFCCVEGCSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500295 606352741 /nfs/dbraw/zinc/35/27/41/606352741.db2.gz CVCRUCRQBMBKKU-NSHDSACASA-N -1 3 397.485 3.899 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500295 606352743 /nfs/dbraw/zinc/35/27/43/606352743.db2.gz CVCRUCRQBMBKKU-NSHDSACASA-N -1 3 397.485 3.899 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820637093 606355589 /nfs/dbraw/zinc/35/55/89/606355589.db2.gz WVMMGEINICLVHT-FQEVSTJZSA-N -1 3 380.427 3.591 20 0 GHADHM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820637093 606355591 /nfs/dbraw/zinc/35/55/91/606355591.db2.gz WVMMGEINICLVHT-FQEVSTJZSA-N -1 3 380.427 3.591 20 0 GHADHM C[C@@H](OC(=O)CCCOCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495243 606355638 /nfs/dbraw/zinc/35/56/38/606355638.db2.gz FHYUEPGQXPKJSM-MRXNPFEDSA-N -1 3 380.448 3.510 20 0 GHADHM C[C@@H](OC(=O)CCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495243 606355640 /nfs/dbraw/zinc/35/56/40/606355640.db2.gz FHYUEPGQXPKJSM-MRXNPFEDSA-N -1 3 380.448 3.510 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000822248860 606356463 /nfs/dbraw/zinc/35/64/63/606356463.db2.gz QOTMQJLLRGHWHJ-UHFFFAOYSA-N -1 3 378.314 3.560 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000822248860 606356464 /nfs/dbraw/zinc/35/64/64/606356464.db2.gz QOTMQJLLRGHWHJ-UHFFFAOYSA-N -1 3 378.314 3.560 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000823344367 606358058 /nfs/dbraw/zinc/35/80/58/606358058.db2.gz WMFLQXMKOGBNOR-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000823344367 606358059 /nfs/dbraw/zinc/35/80/59/606358059.db2.gz WMFLQXMKOGBNOR-MRXNPFEDSA-N -1 3 380.427 3.635 20 0 GHADHM CS/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821956140 606361276 /nfs/dbraw/zinc/36/12/76/606361276.db2.gz HZCVDDHTGJWJGT-CMDGGOBGSA-N -1 3 381.461 3.569 20 0 GHADHM CS/C=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821956140 606361278 /nfs/dbraw/zinc/36/12/78/606361278.db2.gz HZCVDDHTGJWJGT-CMDGGOBGSA-N -1 3 381.461 3.569 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cc(-c3nnn[n-]3)ccc2F)no1 ZINC000822361740 606363262 /nfs/dbraw/zinc/36/32/62/606363262.db2.gz IJAXCTANEHMNOE-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cc(-c3nn[n-]n3)ccc2F)no1 ZINC000822361740 606363263 /nfs/dbraw/zinc/36/32/63/606363263.db2.gz IJAXCTANEHMNOE-UHFFFAOYSA-N -1 3 396.451 3.721 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821014297 606367292 /nfs/dbraw/zinc/36/72/92/606367292.db2.gz DETVQNHTKLUCHK-LSDHHAIUSA-N -1 3 379.464 3.606 20 0 GHADHM CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821014297 606367294 /nfs/dbraw/zinc/36/72/94/606367294.db2.gz DETVQNHTKLUCHK-LSDHHAIUSA-N -1 3 379.464 3.606 20 0 GHADHM Cc1c([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000822020829 606401121 /nfs/dbraw/zinc/40/11/21/606401121.db2.gz KKULIOOETFQKFL-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000822020829 606401123 /nfs/dbraw/zinc/40/11/23/606401123.db2.gz KKULIOOETFQKFL-LLVKDONJSA-N -1 3 381.390 3.812 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1c(Cl)ccc(F)c1Cl ZINC000820508036 606406810 /nfs/dbraw/zinc/40/68/10/606406810.db2.gz LNEKTOOWYXTAJD-SSDOTTSWSA-N -1 3 384.198 3.569 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1c(Cl)ccc(F)c1Cl ZINC000820508036 606406812 /nfs/dbraw/zinc/40/68/12/606406812.db2.gz LNEKTOOWYXTAJD-SSDOTTSWSA-N -1 3 384.198 3.569 20 0 GHADHM CN(C)C(=O)c1cccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000821579911 606442711 /nfs/dbraw/zinc/44/27/11/606442711.db2.gz RULZXZXNBSBKCT-UHFFFAOYSA-N -1 3 398.470 3.848 20 0 GHADHM CN(C)C(=O)c1cccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000821579911 606442712 /nfs/dbraw/zinc/44/27/12/606442712.db2.gz RULZXZXNBSBKCT-UHFFFAOYSA-N -1 3 398.470 3.848 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2cccs2)oc1C ZINC000821411790 606450016 /nfs/dbraw/zinc/45/00/16/606450016.db2.gz BHCHAWRGIQNPKE-UHFFFAOYSA-N -1 3 382.449 3.902 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455669 606454952 /nfs/dbraw/zinc/45/49/52/606454952.db2.gz LAZGQLAIZFCUGC-QMMMGPOBSA-N -1 3 389.341 3.641 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H]3c3ccccn3)c2c1 ZINC000822581251 606459323 /nfs/dbraw/zinc/45/93/23/606459323.db2.gz FXZTXLSRBWEXDB-KRWDZBQOSA-N -1 3 377.839 3.805 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H]3c3ccccn3)c2c1 ZINC000822581251 606459324 /nfs/dbraw/zinc/45/93/24/606459324.db2.gz FXZTXLSRBWEXDB-KRWDZBQOSA-N -1 3 377.839 3.805 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000820507048 606465902 /nfs/dbraw/zinc/46/59/02/606465902.db2.gz FSCMJFSFIGWACA-QMMMGPOBSA-N -1 3 384.339 3.745 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000820507048 606465904 /nfs/dbraw/zinc/46/59/04/606465904.db2.gz FSCMJFSFIGWACA-QMMMGPOBSA-N -1 3 384.339 3.745 20 0 GHADHM FC(F)(F)[C@@H]1CCC[C@H](CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000822714144 606472502 /nfs/dbraw/zinc/47/25/02/606472502.db2.gz HGSZASVACIETTB-WDEREUQCSA-N -1 3 384.431 3.522 20 0 GHADHM FC(F)(F)[C@@H]1CCC[C@H](CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000822714144 606472504 /nfs/dbraw/zinc/47/25/04/606472504.db2.gz HGSZASVACIETTB-WDEREUQCSA-N -1 3 384.431 3.522 20 0 GHADHM Cc1sc(NC(=O)c2ccc3ccc(Cl)cc3n2)c(-c2nnn[n-]2)c1C ZINC000822564282 606478964 /nfs/dbraw/zinc/47/89/64/606478964.db2.gz YIKLEEDMHGPSHU-UHFFFAOYSA-N -1 3 384.852 3.999 20 0 GHADHM Cc1sc(NC(=O)c2ccc3ccc(Cl)cc3n2)c(-c2nn[n-]n2)c1C ZINC000822564282 606478965 /nfs/dbraw/zinc/47/89/65/606478965.db2.gz YIKLEEDMHGPSHU-UHFFFAOYSA-N -1 3 384.852 3.999 20 0 GHADHM Cc1ccc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000822233327 606492437 /nfs/dbraw/zinc/49/24/37/606492437.db2.gz MRMDTGIIDLMNMW-AWEZNQCLSA-N -1 3 375.379 3.707 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000823087272 606507806 /nfs/dbraw/zinc/50/78/06/606507806.db2.gz MSKVDFXJQZROIX-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000823087272 606507807 /nfs/dbraw/zinc/50/78/07/606507807.db2.gz MSKVDFXJQZROIX-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000823088429 606515314 /nfs/dbraw/zinc/51/53/14/606515314.db2.gz XYIABRLVWYZZOS-UHFFFAOYSA-N -1 3 393.447 3.843 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000823088429 606515315 /nfs/dbraw/zinc/51/53/15/606515315.db2.gz XYIABRLVWYZZOS-UHFFFAOYSA-N -1 3 393.447 3.843 20 0 GHADHM c1ccc(N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC2CCC2)cc1 ZINC000823788110 606527180 /nfs/dbraw/zinc/52/71/80/606527180.db2.gz VNAICAIJTWNTMO-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM c1ccc(N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC2CCC2)cc1 ZINC000823788110 606527182 /nfs/dbraw/zinc/52/71/82/606527182.db2.gz VNAICAIJTWNTMO-UHFFFAOYSA-N -1 3 387.447 3.723 20 0 GHADHM O=c1nc(SCc2ccccc2-c2nnn[n-]2)[nH]c2sc3c(c21)CCCC3 ZINC000823657538 606545150 /nfs/dbraw/zinc/54/51/50/606545150.db2.gz QYTYBRUGKAZMKX-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM O=c1nc(SCc2ccccc2-c2nn[n-]n2)[nH]c2sc3c(c21)CCCC3 ZINC000823657538 606545152 /nfs/dbraw/zinc/54/51/52/606545152.db2.gz QYTYBRUGKAZMKX-UHFFFAOYSA-N -1 3 396.501 3.748 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000819950299 606548273 /nfs/dbraw/zinc/54/82/73/606548273.db2.gz HWWIIUWYMLCEOA-RAXLEYEMSA-N -1 3 377.448 3.834 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000819950299 606548275 /nfs/dbraw/zinc/54/82/75/606548275.db2.gz HWWIIUWYMLCEOA-RAXLEYEMSA-N -1 3 377.448 3.834 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1(C)CC1 ZINC000820308810 606552500 /nfs/dbraw/zinc/55/25/00/606552500.db2.gz YUVMBLKNNOSYLO-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1(C)CC1 ZINC000820308810 606552501 /nfs/dbraw/zinc/55/25/01/606552501.db2.gz YUVMBLKNNOSYLO-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(COC2CCCC2)cc1 ZINC000823104074 606570288 /nfs/dbraw/zinc/57/02/88/606570288.db2.gz QBHQTLGPDJSCEF-UHFFFAOYSA-N -1 3 377.448 3.507 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(COC2CCCC2)cc1 ZINC000823104074 606570290 /nfs/dbraw/zinc/57/02/90/606570290.db2.gz QBHQTLGPDJSCEF-UHFFFAOYSA-N -1 3 377.448 3.507 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820379369 606575257 /nfs/dbraw/zinc/57/52/57/606575257.db2.gz BOTCKIXXHFLNPL-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820379369 606575259 /nfs/dbraw/zinc/57/52/59/606575259.db2.gz BOTCKIXXHFLNPL-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C[C@@H]1C ZINC000820744590 606577459 /nfs/dbraw/zinc/57/74/59/606577459.db2.gz YYQLPOFFVLYHRN-STQMWFEESA-N -1 3 396.426 3.918 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C[C@@H]1C ZINC000820744590 606577460 /nfs/dbraw/zinc/57/74/60/606577460.db2.gz YYQLPOFFVLYHRN-STQMWFEESA-N -1 3 396.426 3.918 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@H]1C ZINC000820717975 606577589 /nfs/dbraw/zinc/57/75/89/606577589.db2.gz ZLPFVLVCZGJDAN-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000820717975 606577591 /nfs/dbraw/zinc/57/75/91/606577591.db2.gz ZLPFVLVCZGJDAN-KGLIPLIRSA-N -1 3 378.436 3.921 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1Br ZINC000822733350 606597367 /nfs/dbraw/zinc/59/73/67/606597367.db2.gz YWCIVXXHYNJNLK-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1Br ZINC000822733350 606597369 /nfs/dbraw/zinc/59/73/69/606597369.db2.gz YWCIVXXHYNJNLK-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM CCc1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cs1 ZINC000821509921 606598869 /nfs/dbraw/zinc/59/88/69/606598869.db2.gz PPAVVQNOQXFMNA-UHFFFAOYSA-N -1 3 383.449 3.920 20 0 GHADHM CCc1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cs1 ZINC000821509921 606598871 /nfs/dbraw/zinc/59/88/71/606598871.db2.gz PPAVVQNOQXFMNA-UHFFFAOYSA-N -1 3 383.449 3.920 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823308917 606613495 /nfs/dbraw/zinc/61/34/95/606613495.db2.gz MNLHRKALQCKRIW-QFIPXVFZSA-N -1 3 388.475 3.769 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823308917 606613497 /nfs/dbraw/zinc/61/34/97/606613497.db2.gz MNLHRKALQCKRIW-QFIPXVFZSA-N -1 3 388.475 3.769 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820675077 606619375 /nfs/dbraw/zinc/61/93/75/606619375.db2.gz HRJOGSHKYGQGHL-CJAAZZPWSA-N -1 3 379.386 3.504 20 0 GHADHM C[C@H]1CC/C(=C/C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820675077 606619377 /nfs/dbraw/zinc/61/93/77/606619377.db2.gz HRJOGSHKYGQGHL-CJAAZZPWSA-N -1 3 379.386 3.504 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)N1CCCc2ccccc21 ZINC000823066056 606629871 /nfs/dbraw/zinc/62/98/71/606629871.db2.gz KQYUBVGVJSFWJQ-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC000823066056 606629873 /nfs/dbraw/zinc/62/98/73/606629873.db2.gz KQYUBVGVJSFWJQ-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM CC(C)c1ccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1 ZINC000820191948 606631284 /nfs/dbraw/zinc/63/12/84/606631284.db2.gz BSPXXHDVAAFHEG-UHFFFAOYSA-N -1 3 377.477 3.909 20 0 GHADHM CC(C)c1ccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1 ZINC000820191948 606631285 /nfs/dbraw/zinc/63/12/85/606631285.db2.gz BSPXXHDVAAFHEG-UHFFFAOYSA-N -1 3 377.477 3.909 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000152290065 606661742 /nfs/dbraw/zinc/66/17/42/606661742.db2.gz RQHYELFDWPLZTI-UHFFFAOYSA-N -1 3 396.259 3.837 20 0 GHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000152290065 606661743 /nfs/dbraw/zinc/66/17/43/606661743.db2.gz RQHYELFDWPLZTI-UHFFFAOYSA-N -1 3 396.259 3.837 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000820386126 606661994 /nfs/dbraw/zinc/66/19/94/606661994.db2.gz VZOZJGNDLHMVCT-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000820386126 606661995 /nfs/dbraw/zinc/66/19/95/606661995.db2.gz VZOZJGNDLHMVCT-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM Cc1sc(NC(=O)CCc2cn(C)c3ccccc23)c(-c2nnn[n-]2)c1C ZINC000822558569 606664794 /nfs/dbraw/zinc/66/47/94/606664794.db2.gz RJNIOCZUKHRXSC-UHFFFAOYSA-N -1 3 380.477 3.608 20 0 GHADHM Cc1sc(NC(=O)CCc2cn(C)c3ccccc23)c(-c2nn[n-]n2)c1C ZINC000822558569 606664795 /nfs/dbraw/zinc/66/47/95/606664795.db2.gz RJNIOCZUKHRXSC-UHFFFAOYSA-N -1 3 380.477 3.608 20 0 GHADHM O=C(Cc1c(F)cccc1F)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823074745 606664810 /nfs/dbraw/zinc/66/48/10/606664810.db2.gz UNOSNMJWDBEBIS-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM O=C(Cc1c(F)cccc1F)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823074745 606664811 /nfs/dbraw/zinc/66/48/11/606664811.db2.gz UNOSNMJWDBEBIS-UHFFFAOYSA-N -1 3 389.431 3.657 20 0 GHADHM Cc1ccccc1-c1csc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822345742 606672123 /nfs/dbraw/zinc/67/21/23/606672123.db2.gz QHVRQZGXJFVARI-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccccc1-c1csc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822345742 606672124 /nfs/dbraw/zinc/67/21/24/606672124.db2.gz QHVRQZGXJFVARI-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821604985 606675992 /nfs/dbraw/zinc/67/59/92/606675992.db2.gz PQWDKAFBRLMQGM-UHFFFAOYSA-N -1 3 393.397 3.613 20 0 GHADHM CN(CCc1cccc2ccccc21)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821604985 606675993 /nfs/dbraw/zinc/67/59/93/606675993.db2.gz PQWDKAFBRLMQGM-UHFFFAOYSA-N -1 3 393.397 3.613 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)cc1 ZINC000822234997 606676102 /nfs/dbraw/zinc/67/61/02/606676102.db2.gz OCCCLPGAWBAEIR-HNNXBMFYSA-N -1 3 397.429 3.548 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)cc1 ZINC000822234997 606676103 /nfs/dbraw/zinc/67/61/03/606676103.db2.gz OCCCLPGAWBAEIR-HNNXBMFYSA-N -1 3 397.429 3.548 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822213774 606676912 /nfs/dbraw/zinc/67/69/12/606676912.db2.gz AGQIWIYGJWQSIS-UHFFFAOYSA-N -1 3 392.369 3.768 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822213774 606676913 /nfs/dbraw/zinc/67/69/13/606676913.db2.gz AGQIWIYGJWQSIS-UHFFFAOYSA-N -1 3 392.369 3.768 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000820920387 606679915 /nfs/dbraw/zinc/67/99/15/606679915.db2.gz PJNKYGSWDIAHHI-SNVBAGLBSA-N -1 3 383.811 3.741 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000820920387 606679916 /nfs/dbraw/zinc/67/99/16/606679916.db2.gz PJNKYGSWDIAHHI-SNVBAGLBSA-N -1 3 383.811 3.741 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820038130 606688744 /nfs/dbraw/zinc/68/87/44/606688744.db2.gz LJFAYWVCRVTVKG-IBGZPJMESA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820038130 606688745 /nfs/dbraw/zinc/68/87/45/606688745.db2.gz LJFAYWVCRVTVKG-IBGZPJMESA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820038088 606689197 /nfs/dbraw/zinc/68/91/97/606689197.db2.gz KMYZYJGLVJMKLJ-KRWDZBQOSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820038088 606689198 /nfs/dbraw/zinc/68/91/98/606689198.db2.gz KMYZYJGLVJMKLJ-KRWDZBQOSA-N -1 3 391.475 3.564 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820989228 606697075 /nfs/dbraw/zinc/69/70/75/606697075.db2.gz OQVWZUCNFXNEDK-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820989228 606697076 /nfs/dbraw/zinc/69/70/76/606697076.db2.gz OQVWZUCNFXNEDK-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358410 606745310 /nfs/dbraw/zinc/74/53/10/606745310.db2.gz NJBMATKHRYGEPY-SUMWQHHRSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358410 606745313 /nfs/dbraw/zinc/74/53/13/606745313.db2.gz NJBMATKHRYGEPY-SUMWQHHRSA-N -1 3 392.463 3.529 20 0 GHADHM O=C(NC1(C2CC2)CC1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823140719 606749767 /nfs/dbraw/zinc/74/97/67/606749767.db2.gz YFGCKEJJXIOXFB-UHFFFAOYSA-N -1 3 395.850 3.985 20 0 GHADHM Cc1ccc(SCCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000822271312 606757517 /nfs/dbraw/zinc/75/75/17/606757517.db2.gz WTRSFCMXWHBYPF-UHFFFAOYSA-N -1 3 390.415 3.711 20 0 GHADHM Cc1ccc(SCCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000822271312 606757519 /nfs/dbraw/zinc/75/75/19/606757519.db2.gz WTRSFCMXWHBYPF-UHFFFAOYSA-N -1 3 390.415 3.711 20 0 GHADHM O=C(OCc1cc(Cl)ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823414054 606759261 /nfs/dbraw/zinc/75/92/61/606759261.db2.gz QTJKNEWYHCKLFP-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM O=C(OCc1cc(Cl)ccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823414054 606759262 /nfs/dbraw/zinc/75/92/62/606759262.db2.gz QTJKNEWYHCKLFP-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM Cc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000822233433 606787277 /nfs/dbraw/zinc/78/72/77/606787277.db2.gz OSOAGNHQABFGBC-UHFFFAOYSA-N -1 3 381.867 3.562 20 0 GHADHM Cc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000822233433 606787279 /nfs/dbraw/zinc/78/72/79/606787279.db2.gz OSOAGNHQABFGBC-UHFFFAOYSA-N -1 3 381.867 3.562 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(CC(F)F)C2CC2)cc1 ZINC000822137182 606790880 /nfs/dbraw/zinc/79/08/80/606790880.db2.gz UZFGWRVLTUYBED-UHFFFAOYSA-N -1 3 399.401 3.837 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(CC(F)F)C2CC2)cc1 ZINC000822137182 606790881 /nfs/dbraw/zinc/79/08/81/606790881.db2.gz UZFGWRVLTUYBED-UHFFFAOYSA-N -1 3 399.401 3.837 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000822239780 606807742 /nfs/dbraw/zinc/80/77/42/606807742.db2.gz DMZRUMOFPCWGEJ-KRWDZBQOSA-N -1 3 385.855 3.871 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000822239780 606807743 /nfs/dbraw/zinc/80/77/43/606807743.db2.gz DMZRUMOFPCWGEJ-KRWDZBQOSA-N -1 3 385.855 3.871 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(=Cc2ccccc2F)CC1 ZINC000822929347 606812267 /nfs/dbraw/zinc/81/22/67/606812267.db2.gz SOPCBZBQSHZEOU-MDZDMXLPSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(=Cc2ccccc2F)CC1 ZINC000822929347 606812268 /nfs/dbraw/zinc/81/22/68/606812268.db2.gz SOPCBZBQSHZEOU-MDZDMXLPSA-N -1 3 389.434 3.725 20 0 GHADHM Cc1nc2ccccc2nc1CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822462297 606841243 /nfs/dbraw/zinc/84/12/43/606841243.db2.gz GDSRKOIRJKPQDV-UHFFFAOYSA-N -1 3 392.488 3.821 20 0 GHADHM Cc1nc2ccccc2nc1CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822462297 606841244 /nfs/dbraw/zinc/84/12/44/606841244.db2.gz GDSRKOIRJKPQDV-UHFFFAOYSA-N -1 3 392.488 3.821 20 0 GHADHM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821574753 606862362 /nfs/dbraw/zinc/86/23/62/606862362.db2.gz VWILWGYQWCPOCM-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821574753 606862363 /nfs/dbraw/zinc/86/23/63/606862363.db2.gz VWILWGYQWCPOCM-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CCOc1cc(Br)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821394550 606866767 /nfs/dbraw/zinc/86/67/67/606866767.db2.gz LHAFICRACRJJAH-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1cc(Br)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821394550 606866768 /nfs/dbraw/zinc/86/67/68/606866768.db2.gz LHAFICRACRJJAH-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM O[C@H](CN(Cc1cccs1)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673334 606925046 /nfs/dbraw/zinc/92/50/46/606925046.db2.gz KWTBSHGJNLUJAZ-LJQANCHMSA-N -1 3 395.463 3.808 20 0 GHADHM O[C@H](CN(Cc1cccs1)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673334 606925047 /nfs/dbraw/zinc/92/50/47/606925047.db2.gz KWTBSHGJNLUJAZ-LJQANCHMSA-N -1 3 395.463 3.808 20 0 GHADHM CCOc1ccc(Br)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821417046 606928779 /nfs/dbraw/zinc/92/87/79/606928779.db2.gz HLRMMDTUPRYVAB-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1ccc(Br)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821417046 606928780 /nfs/dbraw/zinc/92/87/80/606928780.db2.gz HLRMMDTUPRYVAB-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821471005 606936809 /nfs/dbraw/zinc/93/68/09/606936809.db2.gz UMQOKEDCPZPUSD-YFHOEESVSA-N -1 3 398.264 3.844 20 0 GHADHM CCc1cc(Br)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821471005 606936810 /nfs/dbraw/zinc/93/68/10/606936810.db2.gz UMQOKEDCPZPUSD-YFHOEESVSA-N -1 3 398.264 3.844 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000822351838 606939250 /nfs/dbraw/zinc/93/92/50/606939250.db2.gz RMPDROWMFKGVIJ-QGZVFWFLSA-N -1 3 389.381 3.772 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000822351838 606939252 /nfs/dbraw/zinc/93/92/52/606939252.db2.gz RMPDROWMFKGVIJ-QGZVFWFLSA-N -1 3 389.381 3.772 20 0 GHADHM FC(F)(F)c1cc(N2CCO[C@H](c3ccsc3)C2)ccc1-c1nnn[n-]1 ZINC000822723897 606949791 /nfs/dbraw/zinc/94/97/91/606949791.db2.gz SCOZAHUGRFOTDG-AWEZNQCLSA-N -1 3 381.383 3.525 20 0 GHADHM FC(F)(F)c1cc(N2CCO[C@H](c3ccsc3)C2)ccc1-c1nn[n-]n1 ZINC000822723897 606949792 /nfs/dbraw/zinc/94/97/92/606949792.db2.gz SCOZAHUGRFOTDG-AWEZNQCLSA-N -1 3 381.383 3.525 20 0 GHADHM O=C(N[C@H]1CCC(F)(F)C1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823144178 606954216 /nfs/dbraw/zinc/95/42/16/606954216.db2.gz CCVUZULRQPIALU-INIZCTEOSA-N -1 3 384.390 3.528 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821672313 606955009 /nfs/dbraw/zinc/95/50/09/606955009.db2.gz GBRNEDGDOHEZHF-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM COC(C)(C)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821672313 606955010 /nfs/dbraw/zinc/95/50/10/606955010.db2.gz GBRNEDGDOHEZHF-UHFFFAOYSA-N -1 3 396.451 3.548 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1CCC2(CCC2)C1 ZINC000823493341 606958943 /nfs/dbraw/zinc/95/89/43/606958943.db2.gz LMJQJPKYBROZJS-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC2(CCC2)C1 ZINC000823493341 606958945 /nfs/dbraw/zinc/95/89/45/606958945.db2.gz LMJQJPKYBROZJS-UHFFFAOYSA-N -1 3 375.432 3.675 20 0 GHADHM Cc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822233367 606959484 /nfs/dbraw/zinc/95/94/84/606959484.db2.gz NGNSEJOASNYBPT-UHFFFAOYSA-N -1 3 376.247 3.687 20 0 GHADHM Cc1ccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822233367 606959486 /nfs/dbraw/zinc/95/94/86/606959486.db2.gz NGNSEJOASNYBPT-UHFFFAOYSA-N -1 3 376.247 3.687 20 0 GHADHM CN(C(=O)c1csc(C(C)(C)C)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574737 606963690 /nfs/dbraw/zinc/96/36/90/606963690.db2.gz VCCRPYQTVYILTA-UHFFFAOYSA-N -1 3 376.873 3.551 20 0 GHADHM CN(C(=O)c1csc(C(C)(C)C)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574737 606963692 /nfs/dbraw/zinc/96/36/92/606963692.db2.gz VCCRPYQTVYILTA-UHFFFAOYSA-N -1 3 376.873 3.551 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821569797 606973243 /nfs/dbraw/zinc/97/32/43/606973243.db2.gz WLJTYJVHATYYNU-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821569797 606973246 /nfs/dbraw/zinc/97/32/46/606973246.db2.gz WLJTYJVHATYYNU-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821563774 606978746 /nfs/dbraw/zinc/97/87/46/606978746.db2.gz FJMYGTVOPCKRFP-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821563774 606978747 /nfs/dbraw/zinc/97/87/47/606978747.db2.gz FJMYGTVOPCKRFP-IBGZPJMESA-N -1 3 391.454 3.713 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822207517 606987414 /nfs/dbraw/zinc/98/74/14/606987414.db2.gz YREKZKOVKGNYSZ-OAHLLOKOSA-N -1 3 376.464 3.806 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822207517 606987415 /nfs/dbraw/zinc/98/74/15/606987415.db2.gz YREKZKOVKGNYSZ-OAHLLOKOSA-N -1 3 376.464 3.806 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823368309 607005870 /nfs/dbraw/zinc/00/58/70/607005870.db2.gz UERAXXZFZMQDPW-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1ccccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823368309 607005871 /nfs/dbraw/zinc/00/58/71/607005871.db2.gz UERAXXZFZMQDPW-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000820555569 607014989 /nfs/dbraw/zinc/01/49/89/607014989.db2.gz MWGGNQKPTCCTDX-CHWSQXEVSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000820555569 607014991 /nfs/dbraw/zinc/01/49/91/607014991.db2.gz MWGGNQKPTCCTDX-CHWSQXEVSA-N -1 3 393.472 3.971 20 0 GHADHM Cn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1cccc(Cl)c1 ZINC000822604612 607020834 /nfs/dbraw/zinc/02/08/34/607020834.db2.gz IAOHKNBXNIAODF-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1cccc(Cl)c1 ZINC000822604612 607020835 /nfs/dbraw/zinc/02/08/35/607020835.db2.gz IAOHKNBXNIAODF-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000822758761 607038455 /nfs/dbraw/zinc/03/84/55/607038455.db2.gz XVMFDKAREHNUGH-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000822758761 607038456 /nfs/dbraw/zinc/03/84/56/607038456.db2.gz XVMFDKAREHNUGH-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Cc1ccc(OC(F)F)c([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822259333 607058498 /nfs/dbraw/zinc/05/84/98/607058498.db2.gz UVNHWUVBHLTCGD-NSHDSACASA-N -1 3 377.370 3.766 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccccc2)cs1 ZINC000820426348 607058837 /nfs/dbraw/zinc/05/88/37/607058837.db2.gz ISFVURDYULELLD-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)cs1 ZINC000820426348 607058839 /nfs/dbraw/zinc/05/88/39/607058839.db2.gz ISFVURDYULELLD-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)oc2ccc(OC)cc21 ZINC000821305150 607099855 /nfs/dbraw/zinc/09/98/55/607099855.db2.gz ZGGSCZHMDRMXAX-UHFFFAOYSA-N -1 3 392.419 3.614 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823246415 607102661 /nfs/dbraw/zinc/10/26/61/607102661.db2.gz OMXZCCLMSRZXBW-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000823246415 607102662 /nfs/dbraw/zinc/10/26/62/607102662.db2.gz OMXZCCLMSRZXBW-UHFFFAOYSA-N -1 3 396.882 3.789 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1cc(Br)ccc1Cl ZINC000822744288 607150297 /nfs/dbraw/zinc/15/02/97/607150297.db2.gz PVWAZIKEJUUPNJ-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cc(Br)ccc1Cl ZINC000822744288 607150299 /nfs/dbraw/zinc/15/02/99/607150299.db2.gz PVWAZIKEJUUPNJ-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823246517 607154078 /nfs/dbraw/zinc/15/40/78/607154078.db2.gz SIIHJOWMIYPRAH-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823246517 607154079 /nfs/dbraw/zinc/15/40/79/607154079.db2.gz SIIHJOWMIYPRAH-HXUWFJFHSA-N -1 3 390.491 3.564 20 0 GHADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Br)cc1F ZINC000820518788 607158020 /nfs/dbraw/zinc/15/80/20/607158020.db2.gz KYGMWJDFMDEEEW-SSDOTTSWSA-N -1 3 397.229 3.748 20 0 GHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823150879 607169273 /nfs/dbraw/zinc/16/92/73/607169273.db2.gz VBBRJIPITSWKQT-KRWDZBQOSA-N -1 3 398.417 3.918 20 0 GHADHM Fc1cccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1-c1nnn[n-]1 ZINC000822791691 607175021 /nfs/dbraw/zinc/17/50/21/607175021.db2.gz LJLBHIXFVNIUCW-LBPRGKRZSA-N -1 3 384.484 3.725 20 0 GHADHM Fc1cccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1-c1nn[n-]n1 ZINC000822791691 607175022 /nfs/dbraw/zinc/17/50/22/607175022.db2.gz LJLBHIXFVNIUCW-LBPRGKRZSA-N -1 3 384.484 3.725 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821133812 607189903 /nfs/dbraw/zinc/18/99/03/607189903.db2.gz FUDGAICLQBZQTG-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821133812 607189904 /nfs/dbraw/zinc/18/99/04/607189904.db2.gz FUDGAICLQBZQTG-UHFFFAOYSA-N -1 3 385.855 3.880 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958684 607190112 /nfs/dbraw/zinc/19/01/12/607190112.db2.gz BHKXRUKVSOSRTQ-UHFFFAOYSA-N -1 3 380.839 3.963 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958684 607190113 /nfs/dbraw/zinc/19/01/13/607190113.db2.gz BHKXRUKVSOSRTQ-UHFFFAOYSA-N -1 3 380.839 3.963 20 0 GHADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822027156 607194928 /nfs/dbraw/zinc/19/49/28/607194928.db2.gz DSDXPKPKRHZGCR-UHFFFAOYSA-N -1 3 382.811 3.896 20 0 GHADHM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822027156 607194929 /nfs/dbraw/zinc/19/49/29/607194929.db2.gz DSDXPKPKRHZGCR-UHFFFAOYSA-N -1 3 382.811 3.896 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(F)c1 ZINC000820372598 607195576 /nfs/dbraw/zinc/19/55/76/607195576.db2.gz AWZHRZMBMLGOHS-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(F)c1 ZINC000820372598 607195577 /nfs/dbraw/zinc/19/55/77/607195577.db2.gz AWZHRZMBMLGOHS-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](c2cccc(F)c2)C1 ZINC000823315492 607202300 /nfs/dbraw/zinc/20/23/00/607202300.db2.gz YMOAPNTXFLWWRG-ZDUSSCGKSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](c2cccc(F)c2)C1 ZINC000823315492 607202301 /nfs/dbraw/zinc/20/23/01/607202301.db2.gz YMOAPNTXFLWWRG-ZDUSSCGKSA-N -1 3 386.818 3.681 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821449431 607202435 /nfs/dbraw/zinc/20/24/35/607202435.db2.gz TZISHSHBRMKALC-NWDGAFQWSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821449431 607202436 /nfs/dbraw/zinc/20/24/36/607202436.db2.gz TZISHSHBRMKALC-NWDGAFQWSA-N -1 3 380.905 3.658 20 0 GHADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821827496 607202697 /nfs/dbraw/zinc/20/26/97/607202697.db2.gz CVJLRUYEOLEQTJ-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821827496 607202698 /nfs/dbraw/zinc/20/26/98/607202698.db2.gz CVJLRUYEOLEQTJ-VIFPVBQESA-N -1 3 390.806 3.551 20 0 GHADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000821794255 607204703 /nfs/dbraw/zinc/20/47/03/607204703.db2.gz DKWVSSQVOHNCMV-UHFFFAOYSA-N -1 3 386.843 3.501 20 0 GHADHM COc1ccc(CN(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000821794255 607204704 /nfs/dbraw/zinc/20/47/04/607204704.db2.gz DKWVSSQVOHNCMV-UHFFFAOYSA-N -1 3 386.843 3.501 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000820087763 607215089 /nfs/dbraw/zinc/21/50/89/607215089.db2.gz ZIUVUAHFCFZXRR-INIZCTEOSA-N -1 3 392.454 3.612 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000820087763 607215090 /nfs/dbraw/zinc/21/50/90/607215090.db2.gz ZIUVUAHFCFZXRR-INIZCTEOSA-N -1 3 392.454 3.612 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccc2c(c1)OCCCO2 ZINC000822723844 607228586 /nfs/dbraw/zinc/22/85/86/607228586.db2.gz QQBAZEGGRBDUJR-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1ccc2c(c1)OCCCO2 ZINC000822723844 607228587 /nfs/dbraw/zinc/22/85/87/607228587.db2.gz QQBAZEGGRBDUJR-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821765392 607234465 /nfs/dbraw/zinc/23/44/65/607234465.db2.gz CILWKPWORHKTQX-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)Sc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821765392 607234466 /nfs/dbraw/zinc/23/44/66/607234466.db2.gz CILWKPWORHKTQX-LLVKDONJSA-N -1 3 380.433 3.779 20 0 GHADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000819844653 607235230 /nfs/dbraw/zinc/23/52/30/607235230.db2.gz KFLQENUTPHXPIE-JTQLQIEISA-N -1 3 381.461 3.508 20 0 GHADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000819844653 607235231 /nfs/dbraw/zinc/23/52/31/607235231.db2.gz KFLQENUTPHXPIE-JTQLQIEISA-N -1 3 381.461 3.508 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000821412633 607237314 /nfs/dbraw/zinc/23/73/14/607237314.db2.gz QEXRFDOCDWXYQK-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000821412633 607237315 /nfs/dbraw/zinc/23/73/15/607237315.db2.gz QEXRFDOCDWXYQK-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000821466702 607237368 /nfs/dbraw/zinc/23/73/68/607237368.db2.gz YZCLQUOIMBZOFW-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000821466702 607237369 /nfs/dbraw/zinc/23/73/69/607237369.db2.gz YZCLQUOIMBZOFW-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)[nH]c(C)c1C(C)=O ZINC000821138497 607241209 /nfs/dbraw/zinc/24/12/09/607241209.db2.gz ATKYVZLYPHRLII-UHFFFAOYSA-N -1 3 386.843 3.564 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)[nH]c(C)c1C(C)=O ZINC000821138497 607241210 /nfs/dbraw/zinc/24/12/10/607241210.db2.gz ATKYVZLYPHRLII-UHFFFAOYSA-N -1 3 386.843 3.564 20 0 GHADHM FC(F)(F)c1csc(CSCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826369334 607785077 /nfs/dbraw/zinc/78/50/77/607785077.db2.gz YFWBZYRNXURSKH-UHFFFAOYSA-N -1 3 387.412 3.654 20 0 GHADHM FC(F)(F)c1csc(CSCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826369334 607785078 /nfs/dbraw/zinc/78/50/78/607785078.db2.gz YFWBZYRNXURSKH-UHFFFAOYSA-N -1 3 387.412 3.654 20 0 GHADHM Cc1cc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826267451 607791870 /nfs/dbraw/zinc/79/18/70/607791870.db2.gz GONJMFTVKAUKOU-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM Cc1cc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826267451 607791871 /nfs/dbraw/zinc/79/18/71/607791871.db2.gz GONJMFTVKAUKOU-SNVBAGLBSA-N -1 3 392.246 3.888 20 0 GHADHM CCN(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372253 607795792 /nfs/dbraw/zinc/79/57/92/607795792.db2.gz UEWSKZJNUPKTKZ-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372253 607795793 /nfs/dbraw/zinc/79/57/93/607795793.db2.gz UEWSKZJNUPKTKZ-UHFFFAOYSA-N -1 3 392.246 3.605 20 0 GHADHM CCN(C(=O)CSc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377258 607800207 /nfs/dbraw/zinc/80/02/07/607800207.db2.gz ZJGVBUWXIJGQRJ-UHFFFAOYSA-N -1 3 379.489 3.501 20 0 GHADHM CCN(C(=O)CSc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377258 607800208 /nfs/dbraw/zinc/80/02/08/607800208.db2.gz ZJGVBUWXIJGQRJ-UHFFFAOYSA-N -1 3 379.489 3.501 20 0 GHADHM CCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386174 607800556 /nfs/dbraw/zinc/80/05/56/607800556.db2.gz ZXPKLWQEEFEOMD-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386174 607800557 /nfs/dbraw/zinc/80/05/57/607800557.db2.gz ZXPKLWQEEFEOMD-UHFFFAOYSA-N -1 3 379.317 3.691 20 0 GHADHM CC(C)c1ccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347444 607814325 /nfs/dbraw/zinc/81/43/25/607814325.db2.gz ARNRKJKKEMKWND-UHFFFAOYSA-N -1 3 388.518 3.556 20 0 GHADHM CC(C)c1ccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347444 607814326 /nfs/dbraw/zinc/81/43/26/607814326.db2.gz ARNRKJKKEMKWND-UHFFFAOYSA-N -1 3 388.518 3.556 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824119827 607826632 /nfs/dbraw/zinc/82/66/32/607826632.db2.gz RGNLYBYLGWBIDO-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824119827 607826633 /nfs/dbraw/zinc/82/66/33/607826633.db2.gz RGNLYBYLGWBIDO-QGZVFWFLSA-N -1 3 384.411 3.605 20 0 GHADHM COc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000826187569 607845581 /nfs/dbraw/zinc/84/55/81/607845581.db2.gz WLMWSLKKRGLWHF-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM COc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000826187569 607845582 /nfs/dbraw/zinc/84/55/82/607845582.db2.gz WLMWSLKKRGLWHF-UHFFFAOYSA-N -1 3 390.852 3.512 20 0 GHADHM O[C@H](COc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504138 607873078 /nfs/dbraw/zinc/87/30/78/607873078.db2.gz OGUSUCBHRBVTAC-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM O[C@H](COc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504138 607873077 /nfs/dbraw/zinc/87/30/77/607873077.db2.gz OGUSUCBHRBVTAC-CYBMUJFWSA-N -1 3 384.745 3.651 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823944189 607908896 /nfs/dbraw/zinc/90/88/96/607908896.db2.gz ZQFZJTNVKVPCDJ-QBFSEMIESA-N -1 3 379.851 3.729 20 0 GHADHM CC(=Cc1ccccc1Cl)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823944189 607908897 /nfs/dbraw/zinc/90/88/97/607908897.db2.gz ZQFZJTNVKVPCDJ-QBFSEMIESA-N -1 3 379.851 3.729 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000824803866 607919679 /nfs/dbraw/zinc/91/96/79/607919679.db2.gz YHYACSOYBSQRGM-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824803866 607919680 /nfs/dbraw/zinc/91/96/80/607919680.db2.gz YHYACSOYBSQRGM-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM O=C(c1cccc(Nc2ccccc2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474626 607954773 /nfs/dbraw/zinc/95/47/73/607954773.db2.gz YDXAWQQGCNHEHR-UHFFFAOYSA-N -1 3 382.427 3.813 20 0 GHADHM O=C(c1cccc(Nc2ccccc2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474626 607954774 /nfs/dbraw/zinc/95/47/74/607954774.db2.gz YDXAWQQGCNHEHR-UHFFFAOYSA-N -1 3 382.427 3.813 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1Br ZINC000826296258 607962594 /nfs/dbraw/zinc/96/25/94/607962594.db2.gz PDEXDSCKLMHDKU-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1Br ZINC000826296258 607962595 /nfs/dbraw/zinc/96/25/95/607962595.db2.gz PDEXDSCKLMHDKU-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1Br ZINC000826296167 607963358 /nfs/dbraw/zinc/96/33/58/607963358.db2.gz LQHPVPNYKAVBES-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1Br ZINC000826296167 607963359 /nfs/dbraw/zinc/96/33/59/607963359.db2.gz LQHPVPNYKAVBES-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Clc1ccc(-c2nc(CCNc3ccc(-c4nnn[n-]4)nc3)cs2)cc1 ZINC000826351453 607968460 /nfs/dbraw/zinc/96/84/60/607968460.db2.gz NDWOFPPFJWNVIW-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM Clc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)nc3)cs2)cc1 ZINC000826351453 607968461 /nfs/dbraw/zinc/96/84/61/607968461.db2.gz NDWOFPPFJWNVIW-UHFFFAOYSA-N -1 3 383.868 3.693 20 0 GHADHM COc1ccc(-c2nc3ccccc3n2CCc2ccccn2)cc1-c1nnn[n-]1 ZINC000826181851 607976086 /nfs/dbraw/zinc/97/60/86/607976086.db2.gz PUANZYYIZBETJN-UHFFFAOYSA-N -1 3 397.442 3.530 20 0 GHADHM COc1ccc(-c2nc3ccccc3n2CCc2ccccn2)cc1-c1nn[n-]n1 ZINC000826181851 607976087 /nfs/dbraw/zinc/97/60/87/607976087.db2.gz PUANZYYIZBETJN-UHFFFAOYSA-N -1 3 397.442 3.530 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824723298 607994541 /nfs/dbraw/zinc/99/45/41/607994541.db2.gz PBRWMEHVXXALEK-MRVPVSSYSA-N -1 3 399.760 3.795 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000824723298 607994542 /nfs/dbraw/zinc/99/45/42/607994542.db2.gz PBRWMEHVXXALEK-MRVPVSSYSA-N -1 3 399.760 3.795 20 0 GHADHM Cc1c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cccc1-c1nnn[n-]1 ZINC000826242579 607994821 /nfs/dbraw/zinc/99/48/21/607994821.db2.gz VKONXHSPQQRZHR-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM Cc1c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cccc1-c1nn[n-]n1 ZINC000826242579 607994822 /nfs/dbraw/zinc/99/48/22/607994822.db2.gz VKONXHSPQQRZHR-UHFFFAOYSA-N -1 3 398.426 3.680 20 0 GHADHM O=C(Nc1cccnc1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826457555 608047725 /nfs/dbraw/zinc/04/77/25/608047725.db2.gz GMIKSSSKAMWAOZ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccnc1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826457555 608047726 /nfs/dbraw/zinc/04/77/26/608047726.db2.gz GMIKSSSKAMWAOZ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)n1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2Br)cn1 ZINC000824650193 608049886 /nfs/dbraw/zinc/04/98/86/608049886.db2.gz PVRHQZYENLGGDB-JTQLQIEISA-N -1 3 376.262 3.580 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCCC2)C1 ZINC000823826872 608051320 /nfs/dbraw/zinc/05/13/20/608051320.db2.gz QAODMTBOAGCBHC-LBPRGKRZSA-N -1 3 378.274 3.533 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2cccc(F)c12 ZINC000824319557 608057888 /nfs/dbraw/zinc/05/78/88/608057888.db2.gz ULEXWYKNWHTIPX-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc(F)c12 ZINC000824319557 608057889 /nfs/dbraw/zinc/05/78/89/608057889.db2.gz ULEXWYKNWHTIPX-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM O=C(NC1CC=CC1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826428791 608059930 /nfs/dbraw/zinc/05/99/30/608059930.db2.gz LQJFCOIDMAVHKQ-UHFFFAOYSA-N -1 3 381.823 3.761 20 0 GHADHM O=C(NC1CC=CC1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826428791 608059931 /nfs/dbraw/zinc/05/99/31/608059931.db2.gz LQJFCOIDMAVHKQ-UHFFFAOYSA-N -1 3 381.823 3.761 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1-c1nnn[n-]1 ZINC000825688375 608062724 /nfs/dbraw/zinc/06/27/24/608062724.db2.gz WUZIRBMYTJMKBC-CQSZACIVSA-N -1 3 383.477 3.555 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1-c1nn[n-]n1 ZINC000825688375 608062725 /nfs/dbraw/zinc/06/27/25/608062725.db2.gz WUZIRBMYTJMKBC-CQSZACIVSA-N -1 3 383.477 3.555 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1F ZINC000826236341 608074221 /nfs/dbraw/zinc/07/42/21/608074221.db2.gz HZBVIBDOBRNCNR-SECBINFHSA-N -1 3 393.781 3.513 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1F ZINC000826236341 608074222 /nfs/dbraw/zinc/07/42/22/608074222.db2.gz HZBVIBDOBRNCNR-SECBINFHSA-N -1 3 393.781 3.513 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236422 608074250 /nfs/dbraw/zinc/07/42/50/608074250.db2.gz LKMKQRRBBZYURP-VIFPVBQESA-N -1 3 393.781 3.513 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825081674 608106354 /nfs/dbraw/zinc/10/63/54/608106354.db2.gz LTOKBLKKAYSHMJ-ZDUSSCGKSA-N -1 3 394.483 3.576 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825081674 608106355 /nfs/dbraw/zinc/10/63/55/608106355.db2.gz LTOKBLKKAYSHMJ-ZDUSSCGKSA-N -1 3 394.483 3.576 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1c(C)cccc1C ZINC000825796303 608109218 /nfs/dbraw/zinc/10/92/18/608109218.db2.gz CCFUGSKGKBUZHK-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1c(C)cccc1C ZINC000825796303 608109219 /nfs/dbraw/zinc/10/92/19/608109219.db2.gz CCFUGSKGKBUZHK-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CC[C@@H](C2CC2)C1 ZINC000826442083 608113310 /nfs/dbraw/zinc/11/33/10/608113310.db2.gz IGGHZAXQOVMBSA-MRXNPFEDSA-N -1 3 394.504 3.537 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826455193 608119237 /nfs/dbraw/zinc/11/92/37/608119237.db2.gz DDGWORVIBOPNOL-HNNXBMFYSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1CC[C@H](C2CC2)C1 ZINC000826455193 608119238 /nfs/dbraw/zinc/11/92/38/608119238.db2.gz DDGWORVIBOPNOL-HNNXBMFYSA-N -1 3 390.447 3.923 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824520934 608168939 /nfs/dbraw/zinc/16/89/39/608168939.db2.gz GGUMMLQMHRCHEQ-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824520934 608168941 /nfs/dbraw/zinc/16/89/41/608168941.db2.gz GGUMMLQMHRCHEQ-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000825787345 608176905 /nfs/dbraw/zinc/17/69/05/608176905.db2.gz CZEPUZPOIICQJH-GFCCVEGCSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000825787345 608176906 /nfs/dbraw/zinc/17/69/06/608176906.db2.gz CZEPUZPOIICQJH-GFCCVEGCSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000825788622 608178278 /nfs/dbraw/zinc/17/82/78/608178278.db2.gz SNWBKRIJSPIXAZ-LBPRGKRZSA-N -1 3 393.426 3.508 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000825788622 608178279 /nfs/dbraw/zinc/17/82/79/608178279.db2.gz SNWBKRIJSPIXAZ-LBPRGKRZSA-N -1 3 393.426 3.508 20 0 GHADHM C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824707093 608184810 /nfs/dbraw/zinc/18/48/10/608184810.db2.gz NIUFPAAVHXYPMF-VIFPVBQESA-N -1 3 380.301 3.541 20 0 GHADHM C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824707093 608184812 /nfs/dbraw/zinc/18/48/12/608184812.db2.gz NIUFPAAVHXYPMF-VIFPVBQESA-N -1 3 380.301 3.541 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000824757162 608205990 /nfs/dbraw/zinc/20/59/90/608205990.db2.gz TTWRFUWMRDTKKD-GVXVVHGQSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000824757162 608205991 /nfs/dbraw/zinc/20/59/91/608205991.db2.gz TTWRFUWMRDTKKD-GVXVVHGQSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cccnc1Cl ZINC000824757632 608207249 /nfs/dbraw/zinc/20/72/49/608207249.db2.gz YVXXYPDWMFMCCI-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cccnc1Cl ZINC000824757632 608207251 /nfs/dbraw/zinc/20/72/51/608207251.db2.gz YVXXYPDWMFMCCI-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM COc1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)ccc1OC(F)F ZINC000826179283 608222079 /nfs/dbraw/zinc/22/20/79/608222079.db2.gz IBSSRPVDIBMAJS-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)ccc1OC(F)F ZINC000826179283 608222080 /nfs/dbraw/zinc/22/20/80/608222080.db2.gz IBSSRPVDIBMAJS-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c2ccccc2n1 ZINC000826179172 608229971 /nfs/dbraw/zinc/22/99/71/608229971.db2.gz CFPPUBLVFUNPBN-UHFFFAOYSA-N -1 3 383.415 3.584 20 0 GHADHM COc1cc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c2ccccc2n1 ZINC000826179172 608229972 /nfs/dbraw/zinc/22/99/72/608229972.db2.gz CFPPUBLVFUNPBN-UHFFFAOYSA-N -1 3 383.415 3.584 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826189647 608239216 /nfs/dbraw/zinc/23/92/16/608239216.db2.gz AMTVFLGGZXYTHZ-XCLFUZPHSA-N -1 3 390.447 3.612 20 0 GHADHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826189647 608239218 /nfs/dbraw/zinc/23/92/18/608239218.db2.gz AMTVFLGGZXYTHZ-XCLFUZPHSA-N -1 3 390.447 3.612 20 0 GHADHM C[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)Cc1ccc(Cl)cc1 ZINC000824384591 608240535 /nfs/dbraw/zinc/24/05/35/608240535.db2.gz FIRUZBJSQYRFPU-AWEZNQCLSA-N -1 3 395.894 3.894 20 0 GHADHM C[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)Cc1ccc(Cl)cc1 ZINC000824384591 608240537 /nfs/dbraw/zinc/24/05/37/608240537.db2.gz FIRUZBJSQYRFPU-AWEZNQCLSA-N -1 3 395.894 3.894 20 0 GHADHM c1cc(-c2cccc(CNCc3nc4c(s3)CCC4)c2)sc1-c1nnn[n-]1 ZINC000826516675 608252412 /nfs/dbraw/zinc/25/24/12/608252412.db2.gz VPKUWLVVWINTRY-UHFFFAOYSA-N -1 3 394.529 3.830 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825194395 608260259 /nfs/dbraw/zinc/26/02/59/608260259.db2.gz QILGCDGXRRMOQY-XJKSGUPXSA-N -1 3 393.451 3.849 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825194395 608260260 /nfs/dbraw/zinc/26/02/60/608260260.db2.gz QILGCDGXRRMOQY-XJKSGUPXSA-N -1 3 393.451 3.849 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824507843 608266101 /nfs/dbraw/zinc/26/61/01/608266101.db2.gz ZAFTZFVRQDLTGY-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824507843 608266102 /nfs/dbraw/zinc/26/61/02/608266102.db2.gz ZAFTZFVRQDLTGY-QMMMGPOBSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C[C@H]1C ZINC000824945780 608269080 /nfs/dbraw/zinc/26/90/80/608269080.db2.gz FMGAHSDXPBJUMV-ZIAGYGMSSA-N -1 3 393.451 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C[C@H]1C ZINC000824945780 608269082 /nfs/dbraw/zinc/26/90/82/608269082.db2.gz FMGAHSDXPBJUMV-ZIAGYGMSSA-N -1 3 393.451 3.564 20 0 GHADHM Cc1scc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1C ZINC000826350219 608293157 /nfs/dbraw/zinc/29/31/57/608293157.db2.gz MQDBNCDEDMKTFA-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1scc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1C ZINC000826350219 608293159 /nfs/dbraw/zinc/29/31/59/608293159.db2.gz MQDBNCDEDMKTFA-UHFFFAOYSA-N -1 3 392.444 3.985 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826332309 608310474 /nfs/dbraw/zinc/31/04/74/608310474.db2.gz PROMPALFWJPPGB-OAHLLOKOSA-N -1 3 391.454 3.693 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826332309 608310476 /nfs/dbraw/zinc/31/04/76/608310476.db2.gz PROMPALFWJPPGB-OAHLLOKOSA-N -1 3 391.454 3.693 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824457157 608320229 /nfs/dbraw/zinc/32/02/29/608320229.db2.gz FZTINYJENVVIIC-MRXNPFEDSA-N -1 3 398.470 3.675 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824457157 608320231 /nfs/dbraw/zinc/32/02/31/608320231.db2.gz FZTINYJENVVIIC-MRXNPFEDSA-N -1 3 398.470 3.675 20 0 GHADHM CC(C)CCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824248812 608356099 /nfs/dbraw/zinc/35/60/99/608356099.db2.gz CNOCZFDHZLZRJG-UHFFFAOYSA-N -1 3 378.480 3.721 20 0 GHADHM CC(C)CCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824248812 608356101 /nfs/dbraw/zinc/35/61/01/608356101.db2.gz CNOCZFDHZLZRJG-UHFFFAOYSA-N -1 3 378.480 3.721 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000826466083 608446833 /nfs/dbraw/zinc/44/68/33/608446833.db2.gz OKUYPSVKCKLHSM-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000826466083 608446835 /nfs/dbraw/zinc/44/68/35/608446835.db2.gz OKUYPSVKCKLHSM-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)c2)cs1 ZINC000826322330 608449768 /nfs/dbraw/zinc/44/97/68/608449768.db2.gz IFIFAWNXMISTFF-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)c2)cs1 ZINC000826322330 608449769 /nfs/dbraw/zinc/44/97/69/608449769.db2.gz IFIFAWNXMISTFF-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826285855 608449901 /nfs/dbraw/zinc/44/99/01/608449901.db2.gz LTMGDHKBZYVAOY-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826285855 608449902 /nfs/dbraw/zinc/44/99/02/608449902.db2.gz LTMGDHKBZYVAOY-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826324421 608460343 /nfs/dbraw/zinc/46/03/43/608460343.db2.gz QBWFXECUIISUSE-UHFFFAOYSA-N -1 3 382.493 3.609 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826324421 608460346 /nfs/dbraw/zinc/46/03/46/608460346.db2.gz QBWFXECUIISUSE-UHFFFAOYSA-N -1 3 382.493 3.609 20 0 GHADHM Clc1cc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc(Cl)n1 ZINC000826350907 608464855 /nfs/dbraw/zinc/46/48/55/608464855.db2.gz PRDLRKUZMLXLCM-UHFFFAOYSA-N -1 3 387.274 3.858 20 0 GHADHM Clc1cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc(Cl)n1 ZINC000826350907 608464856 /nfs/dbraw/zinc/46/48/56/608464856.db2.gz PRDLRKUZMLXLCM-UHFFFAOYSA-N -1 3 387.274 3.858 20 0 GHADHM CC(C)(C)c1csc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000824135256 608465334 /nfs/dbraw/zinc/46/53/34/608465334.db2.gz CSGNZRSQMPUVFB-UHFFFAOYSA-N -1 3 380.521 3.910 20 0 GHADHM CC(C)(C)c1csc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824135256 608465335 /nfs/dbraw/zinc/46/53/35/608465335.db2.gz CSGNZRSQMPUVFB-UHFFFAOYSA-N -1 3 380.521 3.910 20 0 GHADHM C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627324 608465663 /nfs/dbraw/zinc/46/56/63/608465663.db2.gz WZGOOZPLYJANHL-LLVKDONJSA-N -1 3 382.374 3.651 20 0 GHADHM Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826295763 608466952 /nfs/dbraw/zinc/46/69/52/608466952.db2.gz WYPYAUXDZSJYIQ-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000826295763 608466953 /nfs/dbraw/zinc/46/69/53/608466953.db2.gz WYPYAUXDZSJYIQ-KGLIPLIRSA-N -1 3 375.436 3.637 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000820315181 608474082 /nfs/dbraw/zinc/47/40/82/608474082.db2.gz LXIIJVKHKSXJMP-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000820315181 608474084 /nfs/dbraw/zinc/47/40/84/608474084.db2.gz LXIIJVKHKSXJMP-LBPRGKRZSA-N -1 3 385.855 3.555 20 0 GHADHM Cc1ccc(F)c(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826289095 608475641 /nfs/dbraw/zinc/47/56/41/608475641.db2.gz KJYOVHAEYREVTA-UHFFFAOYSA-N -1 3 394.479 3.800 20 0 GHADHM Cc1ccc(F)c(NC(=S)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826289095 608475642 /nfs/dbraw/zinc/47/56/42/608475642.db2.gz KJYOVHAEYREVTA-UHFFFAOYSA-N -1 3 394.479 3.800 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306189 608478351 /nfs/dbraw/zinc/47/83/51/608478351.db2.gz SITDKCOYQSPDOC-KRWDZBQOSA-N -1 3 387.487 3.985 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826306189 608478354 /nfs/dbraw/zinc/47/83/54/608478354.db2.gz SITDKCOYQSPDOC-KRWDZBQOSA-N -1 3 387.487 3.985 20 0 GHADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(Cl)c1 ZINC000826286584 608478666 /nfs/dbraw/zinc/47/86/66/608478666.db2.gz IELMRHDDFSQXQF-UHFFFAOYSA-N -1 3 393.878 3.687 20 0 GHADHM Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000826286584 608478667 /nfs/dbraw/zinc/47/86/67/608478667.db2.gz IELMRHDDFSQXQF-UHFFFAOYSA-N -1 3 393.878 3.687 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000824059172 608480054 /nfs/dbraw/zinc/48/00/54/608480054.db2.gz NXHBJLKJLDWTRH-UHFFFAOYSA-N -1 3 391.450 3.599 20 0 GHADHM CC(C)(C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(F)c1 ZINC000824059172 608480055 /nfs/dbraw/zinc/48/00/55/608480055.db2.gz NXHBJLKJLDWTRH-UHFFFAOYSA-N -1 3 391.450 3.599 20 0 GHADHM Cc1ccc2c(CC(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c[nH]c2c1 ZINC000826293537 608486636 /nfs/dbraw/zinc/48/66/36/608486636.db2.gz SPVFNFMHHLEOMQ-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM Cc1ccc2c(CC(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c[nH]c2c1 ZINC000826293537 608486638 /nfs/dbraw/zinc/48/66/38/608486638.db2.gz SPVFNFMHHLEOMQ-UHFFFAOYSA-N -1 3 398.470 3.515 20 0 GHADHM CCCc1nc(C)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000825351665 608487699 /nfs/dbraw/zinc/48/76/99/608487699.db2.gz GBVXXLUVXSKGPN-UHFFFAOYSA-N -1 3 394.504 3.514 20 0 GHADHM CCCc1nc(C)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000825351665 608487700 /nfs/dbraw/zinc/48/77/00/608487700.db2.gz GBVXXLUVXSKGPN-UHFFFAOYSA-N -1 3 394.504 3.514 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000825830553 608575224 /nfs/dbraw/zinc/57/52/24/608575224.db2.gz VUTIASZHTXOKCR-CQSZACIVSA-N -1 3 395.772 3.896 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000825830553 608575226 /nfs/dbraw/zinc/57/52/26/608575226.db2.gz VUTIASZHTXOKCR-CQSZACIVSA-N -1 3 395.772 3.896 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826287045 608577397 /nfs/dbraw/zinc/57/73/97/608577397.db2.gz AKYJKGFIWTYPAV-INIZCTEOSA-N -1 3 381.867 3.676 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826287045 608577398 /nfs/dbraw/zinc/57/73/98/608577398.db2.gz AKYJKGFIWTYPAV-INIZCTEOSA-N -1 3 381.867 3.676 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1c(Cl)cccc1N1CCCC1 ZINC000825957560 608580887 /nfs/dbraw/zinc/58/08/87/608580887.db2.gz BSKSHYFDXLECOO-UHFFFAOYSA-N -1 3 382.899 3.752 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccn(C(F)F)n1 ZINC000826457227 608589691 /nfs/dbraw/zinc/58/96/91/608589691.db2.gz RWSCPABYESIQDV-UHFFFAOYSA-N -1 3 397.345 3.503 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[C@@H]1C ZINC000824938615 608596832 /nfs/dbraw/zinc/59/68/32/608596832.db2.gz VWNZXECNCBGIIL-ZIAGYGMSSA-N -1 3 393.451 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[C@@H]1C ZINC000824938615 608596834 /nfs/dbraw/zinc/59/68/34/608596834.db2.gz VWNZXECNCBGIIL-ZIAGYGMSSA-N -1 3 393.451 3.706 20 0 GHADHM Fc1c(CN2CCC[C@@H]2c2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000826370979 608646256 /nfs/dbraw/zinc/64/62/56/608646256.db2.gz NWEWBERHAQZSRU-OAHLLOKOSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1c(CN2CCC[C@@H]2c2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000826370979 608646257 /nfs/dbraw/zinc/64/62/57/608646257.db2.gz NWEWBERHAQZSRU-OAHLLOKOSA-N -1 3 380.452 3.953 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(-c2cccs2)n[nH]1 ZINC000826350823 608755104 /nfs/dbraw/zinc/75/51/04/608755104.db2.gz MULDILUUGGXISS-UHFFFAOYSA-N -1 3 375.870 3.659 20 0 GHADHM COc1ccccc1COC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826220463 608799533 /nfs/dbraw/zinc/79/95/33/608799533.db2.gz OOOSAEPEBHPWAH-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM COc1ccccc1COC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826220463 608799537 /nfs/dbraw/zinc/79/95/37/608799537.db2.gz OOOSAEPEBHPWAH-UHFFFAOYSA-N -1 3 399.882 3.714 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826402104 608822170 /nfs/dbraw/zinc/82/21/70/608822170.db2.gz MYRNLQWOKGDABX-DOJUMQAQSA-N -1 3 389.440 3.669 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](c1nccs1)c1ccccc1 ZINC000826402104 608822173 /nfs/dbraw/zinc/82/21/73/608822173.db2.gz MYRNLQWOKGDABX-DOJUMQAQSA-N -1 3 389.440 3.669 20 0 GHADHM CC(C)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nc2ccccc2[nH]1 ZINC000824539167 609136393 /nfs/dbraw/zinc/13/63/93/609136393.db2.gz MENGSHMYZUWQAV-KZULUSFZSA-N -1 3 379.443 3.930 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)nn1[C@@H](C)C1CC1 ZINC000826261166 609141552 /nfs/dbraw/zinc/14/15/52/609141552.db2.gz UEUPZVIOGFHWBN-NSHDSACASA-N -1 3 397.508 3.535 20 0 GHADHM Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)nn1[C@@H](C)C1CC1 ZINC000826261166 609141554 /nfs/dbraw/zinc/14/15/54/609141554.db2.gz UEUPZVIOGFHWBN-NSHDSACASA-N -1 3 397.508 3.535 20 0 GHADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C(C)(C)C)C3)c1 ZINC000826363045 609156624 /nfs/dbraw/zinc/15/66/24/609156624.db2.gz UPNIMJLAFWXVOL-LBPRGKRZSA-N -1 3 384.509 3.670 20 0 GHADHM Cn1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C(C)(C)C)C3)c1 ZINC000826363045 609156625 /nfs/dbraw/zinc/15/66/25/609156625.db2.gz UPNIMJLAFWXVOL-LBPRGKRZSA-N -1 3 384.509 3.670 20 0 GHADHM CC(C)C[C@@H](C)C[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824227745 609166674 /nfs/dbraw/zinc/16/66/74/609166674.db2.gz BCNRKWRWMPNVQF-HZPDHXFCSA-N -1 3 386.544 3.701 20 0 GHADHM CC(C)C[C@@H](C)C[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824227745 609166675 /nfs/dbraw/zinc/16/66/75/609166675.db2.gz BCNRKWRWMPNVQF-HZPDHXFCSA-N -1 3 386.544 3.701 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccc(C)cc2)o1 ZINC000825480699 609177780 /nfs/dbraw/zinc/17/77/80/609177780.db2.gz HBIRPNUTAIVGHX-UHFFFAOYSA-N -1 3 375.436 3.874 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(C)n(-c2ccccc2Cl)n1 ZINC000826170912 609180922 /nfs/dbraw/zinc/18/09/22/609180922.db2.gz VEGQXVACHDTYAP-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(C)n(-c2ccccc2Cl)n1 ZINC000826170912 609180923 /nfs/dbraw/zinc/18/09/23/609180923.db2.gz VEGQXVACHDTYAP-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM CCCc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2cccs2)cc1 ZINC000825348706 609190705 /nfs/dbraw/zinc/19/07/05/609190705.db2.gz XDYVWZZZIXBCEZ-GOSISDBHSA-N -1 3 392.488 3.728 20 0 GHADHM CCCc1ccc([C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2cccs2)cc1 ZINC000825348706 609190707 /nfs/dbraw/zinc/19/07/07/609190707.db2.gz XDYVWZZZIXBCEZ-GOSISDBHSA-N -1 3 392.488 3.728 20 0 GHADHM O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427621 609201356 /nfs/dbraw/zinc/20/13/56/609201356.db2.gz VOLBMFVWLGURGK-QGZVFWFLSA-N -1 3 392.850 3.562 20 0 GHADHM O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427621 609201358 /nfs/dbraw/zinc/20/13/58/609201358.db2.gz VOLBMFVWLGURGK-QGZVFWFLSA-N -1 3 392.850 3.562 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000825267325 609240419 /nfs/dbraw/zinc/24/04/19/609240419.db2.gz KQHAAGQXZFPWKA-KXBFYZLASA-N -1 3 384.528 3.599 20 0 GHADHM CCCC[C@H]1CCC[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000825267325 609240420 /nfs/dbraw/zinc/24/04/20/609240420.db2.gz KQHAAGQXZFPWKA-KXBFYZLASA-N -1 3 384.528 3.599 20 0 GHADHM Cc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826283129 609243262 /nfs/dbraw/zinc/24/32/62/609243262.db2.gz LCGJGNKPQMVYCT-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM Cc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826283129 609243263 /nfs/dbraw/zinc/24/32/63/609243263.db2.gz LCGJGNKPQMVYCT-MRXNPFEDSA-N -1 3 392.507 3.618 20 0 GHADHM C[C@@H](Nc1ccccc1I)c1cccc(-c2nnn[n-]2)c1 ZINC000824662717 609271462 /nfs/dbraw/zinc/27/14/62/609271462.db2.gz QEWPSFQCXHSKBA-SNVBAGLBSA-N -1 3 391.216 3.644 20 0 GHADHM C[C@@H](Nc1ccccc1I)c1cccc(-c2nn[n-]n2)c1 ZINC000824662717 609271463 /nfs/dbraw/zinc/27/14/63/609271463.db2.gz QEWPSFQCXHSKBA-SNVBAGLBSA-N -1 3 391.216 3.644 20 0 GHADHM Cc1cc(C)n(-c2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2F)n1 ZINC000826265192 609277170 /nfs/dbraw/zinc/27/71/70/609277170.db2.gz PBXWUXYXJNWLGG-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM Cc1cc(C)n(-c2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2F)n1 ZINC000826265192 609277172 /nfs/dbraw/zinc/27/71/72/609277172.db2.gz PBXWUXYXJNWLGG-AWEZNQCLSA-N -1 3 377.427 3.981 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824522735 609286133 /nfs/dbraw/zinc/28/61/33/609286133.db2.gz VGBFUQKWCOZJHF-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824522735 609286134 /nfs/dbraw/zinc/28/61/34/609286134.db2.gz VGBFUQKWCOZJHF-CYBMUJFWSA-N -1 3 388.406 3.559 20 0 GHADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455460 609291199 /nfs/dbraw/zinc/29/11/99/609291199.db2.gz PGIJFTMPEOOBGO-UHFFFAOYSA-N -1 3 393.838 3.916 20 0 GHADHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826460277 609292672 /nfs/dbraw/zinc/29/26/72/609292672.db2.gz VPVKVALONFTMKG-UHFFFAOYSA-N -1 3 398.835 3.602 20 0 GHADHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826460277 609292673 /nfs/dbraw/zinc/29/26/73/609292673.db2.gz VPVKVALONFTMKG-UHFFFAOYSA-N -1 3 398.835 3.602 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826281318 609298987 /nfs/dbraw/zinc/29/89/87/609298987.db2.gz MJVVEYDERZTOFC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826281318 609298989 /nfs/dbraw/zinc/29/89/89/609298989.db2.gz MJVVEYDERZTOFC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000480401013 609301983 /nfs/dbraw/zinc/30/19/83/609301983.db2.gz FLPCJMUUCVAZGI-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000480401013 609301985 /nfs/dbraw/zinc/30/19/85/609301985.db2.gz FLPCJMUUCVAZGI-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Fc1ccc(C2=CC[C@H](NC(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826373970 609310004 /nfs/dbraw/zinc/31/00/04/609310004.db2.gz GZZGLOMCEXKPEQ-INIZCTEOSA-N -1 3 394.479 3.928 20 0 GHADHM Fc1ccc(C2=CC[C@H](NC(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826373970 609310005 /nfs/dbraw/zinc/31/00/05/609310005.db2.gz GZZGLOMCEXKPEQ-INIZCTEOSA-N -1 3 394.479 3.928 20 0 GHADHM CCCOc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000825342150 609319614 /nfs/dbraw/zinc/31/96/14/609319614.db2.gz OJPLNMXYLADHHB-UHFFFAOYSA-N -1 3 393.426 3.592 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824906714 609325029 /nfs/dbraw/zinc/32/50/29/609325029.db2.gz DGMHNMKVBDCJAK-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824906714 609325031 /nfs/dbraw/zinc/32/50/31/609325031.db2.gz DGMHNMKVBDCJAK-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM COCCC[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826156201 609327495 /nfs/dbraw/zinc/32/74/95/609327495.db2.gz SVJMWAHGDCPTIG-CQSZACIVSA-N -1 3 382.420 3.627 20 0 GHADHM COCCC[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826156201 609327497 /nfs/dbraw/zinc/32/74/97/609327497.db2.gz SVJMWAHGDCPTIG-CQSZACIVSA-N -1 3 382.420 3.627 20 0 GHADHM CCc1noc(C)c1CSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000825771249 609329131 /nfs/dbraw/zinc/32/91/31/609329131.db2.gz JAOOISOUWWZPIF-UHFFFAOYSA-N -1 3 394.298 3.921 20 0 GHADHM CCc1noc(C)c1CSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000825771249 609329133 /nfs/dbraw/zinc/32/91/33/609329133.db2.gz JAOOISOUWWZPIF-UHFFFAOYSA-N -1 3 394.298 3.921 20 0 GHADHM C[C@@H](NCc1ccnc(OC2CCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627293 609331881 /nfs/dbraw/zinc/33/18/81/609331881.db2.gz WGCCIORTXYWHGB-CQSZACIVSA-N -1 3 396.470 3.963 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825074070 609332067 /nfs/dbraw/zinc/33/20/67/609332067.db2.gz DVYLWMFOSKBISH-NSHDSACASA-N -1 3 387.875 3.663 20 0 GHADHM CC[C@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825074070 609332069 /nfs/dbraw/zinc/33/20/69/609332069.db2.gz DVYLWMFOSKBISH-NSHDSACASA-N -1 3 387.875 3.663 20 0 GHADHM Cn1cc(CNc2cccc(-c3cnco3)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361569 609343710 /nfs/dbraw/zinc/34/37/10/609343710.db2.gz CWOGLNWAXBJJGV-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM Cn1cc(CNc2cccc(-c3cnco3)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361569 609343711 /nfs/dbraw/zinc/34/37/11/609343711.db2.gz CWOGLNWAXBJJGV-UHFFFAOYSA-N -1 3 398.430 3.534 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000826180321 609347818 /nfs/dbraw/zinc/34/78/18/609347818.db2.gz BPPMLJXXVOZZQA-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000826180321 609347819 /nfs/dbraw/zinc/34/78/19/609347819.db2.gz BPPMLJXXVOZZQA-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM Cc1ccc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2Br)o1 ZINC000826286015 609362183 /nfs/dbraw/zinc/36/21/83/609362183.db2.gz QBPTWMWQZQTGKS-OAHLLOKOSA-N -1 3 388.269 3.868 20 0 GHADHM CCCc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000825348165 609381699 /nfs/dbraw/zinc/38/16/99/609381699.db2.gz DPYKQHSYUHVTHT-UHFFFAOYSA-N -1 3 389.419 3.587 20 0 GHADHM CCCc1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000825348165 609381700 /nfs/dbraw/zinc/38/17/00/609381700.db2.gz DPYKQHSYUHVTHT-UHFFFAOYSA-N -1 3 389.419 3.587 20 0 GHADHM CCCn1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000825363138 609386091 /nfs/dbraw/zinc/38/60/91/609386091.db2.gz URKWBINTCODEKO-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM CCCn1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000825363138 609386093 /nfs/dbraw/zinc/38/60/93/609386093.db2.gz URKWBINTCODEKO-UHFFFAOYSA-N -1 3 389.419 3.518 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824883633 609387721 /nfs/dbraw/zinc/38/77/21/609387721.db2.gz IECAFOARBUDOPS-HUUCEWRRSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H]1C[C@H](COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824883633 609387724 /nfs/dbraw/zinc/38/77/24/609387724.db2.gz IECAFOARBUDOPS-HUUCEWRRSA-N -1 3 394.431 3.631 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1-c1nnn[n-]1 ZINC000826231231 609397661 /nfs/dbraw/zinc/39/76/61/609397661.db2.gz CNUMUEIKHOCREL-FKIZINRSSA-N -1 3 398.536 3.513 20 0 GHADHM CCc1csc([C@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)n1 ZINC000825739334 609424980 /nfs/dbraw/zinc/42/49/80/609424980.db2.gz CYWSJDAOAPRMLO-JTQLQIEISA-N -1 3 376.436 3.548 20 0 GHADHM CCc1csc([C@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)n1 ZINC000825739334 609424981 /nfs/dbraw/zinc/42/49/81/609424981.db2.gz CYWSJDAOAPRMLO-JTQLQIEISA-N -1 3 376.436 3.548 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccn(-c2ccc(F)cc2)n1 ZINC000824324608 609436688 /nfs/dbraw/zinc/43/66/88/609436688.db2.gz RJEOAMSYNLAMAS-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccn(-c2ccc(F)cc2)n1 ZINC000824324608 609436690 /nfs/dbraw/zinc/43/66/90/609436690.db2.gz RJEOAMSYNLAMAS-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000824977605 609443338 /nfs/dbraw/zinc/44/33/38/609443338.db2.gz RMNJJILWASTCTF-GMXABZIVSA-N -1 3 376.917 3.727 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000824977605 609443342 /nfs/dbraw/zinc/44/33/42/609443342.db2.gz RMNJJILWASTCTF-GMXABZIVSA-N -1 3 376.917 3.727 20 0 GHADHM Fc1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1F ZINC000826376642 609446722 /nfs/dbraw/zinc/44/67/22/609446722.db2.gz MDQLJASUEHNEKQ-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457858 609447568 /nfs/dbraw/zinc/44/75/68/609447568.db2.gz SYSWXZOVTZWGIZ-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457858 609447570 /nfs/dbraw/zinc/44/75/70/609447570.db2.gz SYSWXZOVTZWGIZ-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826456394 609449212 /nfs/dbraw/zinc/44/92/12/609449212.db2.gz BMSMQRDCVQTQRV-UHFFFAOYSA-N -1 3 399.405 3.779 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826456394 609449214 /nfs/dbraw/zinc/44/92/14/609449214.db2.gz BMSMQRDCVQTQRV-UHFFFAOYSA-N -1 3 399.405 3.779 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826259679 609476285 /nfs/dbraw/zinc/47/62/85/609476285.db2.gz ZPINBDBLONAMMW-UHFFFAOYSA-N -1 3 394.454 3.599 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826259679 609476286 /nfs/dbraw/zinc/47/62/86/609476286.db2.gz ZPINBDBLONAMMW-UHFFFAOYSA-N -1 3 394.454 3.599 20 0 GHADHM CCc1nnc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)s1 ZINC000825767899 609478009 /nfs/dbraw/zinc/47/80/09/609478009.db2.gz TWTIWWXBRWBBSU-UHFFFAOYSA-N -1 3 397.439 3.824 20 0 GHADHM CCc1nnc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)s1 ZINC000825767899 609478011 /nfs/dbraw/zinc/47/80/11/609478011.db2.gz TWTIWWXBRWBBSU-UHFFFAOYSA-N -1 3 397.439 3.824 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2[nH]c1=O ZINC000824323750 609478227 /nfs/dbraw/zinc/47/82/27/609478227.db2.gz APIFRNUFXDFWAX-UHFFFAOYSA-N -1 3 376.420 3.520 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2[nH]c1=O ZINC000824323750 609478230 /nfs/dbraw/zinc/47/82/30/609478230.db2.gz APIFRNUFXDFWAX-UHFFFAOYSA-N -1 3 376.420 3.520 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826403947 609479926 /nfs/dbraw/zinc/47/99/26/609479926.db2.gz JGLRKAYGOLECJT-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826403947 609479928 /nfs/dbraw/zinc/47/99/28/609479928.db2.gz JGLRKAYGOLECJT-CQSZACIVSA-N -1 3 392.438 3.913 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(OCC(C)C)c1 ZINC000826186992 609481779 /nfs/dbraw/zinc/48/17/79/609481779.db2.gz UGSXWNDFEOHYGR-UHFFFAOYSA-N -1 3 383.452 3.531 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(OCC(C)C)c1 ZINC000826186992 609481782 /nfs/dbraw/zinc/48/17/82/609481782.db2.gz UGSXWNDFEOHYGR-UHFFFAOYSA-N -1 3 383.452 3.531 20 0 GHADHM COc1ccc(CNc2ccc(Cl)c(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000826203747 609513062 /nfs/dbraw/zinc/51/30/62/609513062.db2.gz DPZGIZVSXNEOTB-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2ccc(Cl)c(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000826203747 609513063 /nfs/dbraw/zinc/51/30/63/609513063.db2.gz DPZGIZVSXNEOTB-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM O=C(NC[C@H]1CCCCS1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826435582 609513848 /nfs/dbraw/zinc/51/38/48/609513848.db2.gz RIMOKVXJFKYSNW-GOSISDBHSA-N -1 3 395.488 3.675 20 0 GHADHM O=C(NC[C@H]1CCCCS1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826435582 609513850 /nfs/dbraw/zinc/51/38/50/609513850.db2.gz RIMOKVXJFKYSNW-GOSISDBHSA-N -1 3 395.488 3.675 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826332471 609524301 /nfs/dbraw/zinc/52/43/01/609524301.db2.gz VOSBTOVUPPGNDC-UHFFFAOYSA-N -1 3 394.870 3.638 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826332471 609524302 /nfs/dbraw/zinc/52/43/02/609524302.db2.gz VOSBTOVUPPGNDC-UHFFFAOYSA-N -1 3 394.870 3.638 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826239627 609539750 /nfs/dbraw/zinc/53/97/50/609539750.db2.gz LZVZDAKTPUWVJJ-YOEHRIQHSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826239627 609539751 /nfs/dbraw/zinc/53/97/51/609539751.db2.gz LZVZDAKTPUWVJJ-YOEHRIQHSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)cccc2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826298395 609589718 /nfs/dbraw/zinc/58/97/18/609589718.db2.gz QQSRBKONTJMSIV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2c(C)cccc2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826298395 609589719 /nfs/dbraw/zinc/58/97/19/609589719.db2.gz QQSRBKONTJMSIV-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825833918 609595832 /nfs/dbraw/zinc/59/58/32/609595832.db2.gz ODMFENOJHNNNBF-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825833918 609595835 /nfs/dbraw/zinc/59/58/35/609595835.db2.gz ODMFENOJHNNNBF-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C)ccc2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826288661 609596173 /nfs/dbraw/zinc/59/61/73/609596173.db2.gz RBKVXQOESUEPHU-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C)ccc2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826288661 609596176 /nfs/dbraw/zinc/59/61/76/609596176.db2.gz RBKVXQOESUEPHU-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465167 609619052 /nfs/dbraw/zinc/61/90/52/609619052.db2.gz AZZNCWFWYQSYSX-GXSJLCMTSA-N -1 3 388.777 3.932 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465167 609619054 /nfs/dbraw/zinc/61/90/54/609619054.db2.gz AZZNCWFWYQSYSX-GXSJLCMTSA-N -1 3 388.777 3.932 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826403527 609619081 /nfs/dbraw/zinc/61/90/81/609619081.db2.gz USSLZZFFLJXTRK-FPLPWBNLSA-N -1 3 397.847 3.886 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826403527 609619083 /nfs/dbraw/zinc/61/90/83/609619083.db2.gz USSLZZFFLJXTRK-FPLPWBNLSA-N -1 3 397.847 3.886 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713484 609630191 /nfs/dbraw/zinc/63/01/91/609630191.db2.gz ISCVCORDVCCDJG-FZKQIMNGSA-N -1 3 380.448 3.502 20 0 GHADHM C[C@@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000824713484 609630192 /nfs/dbraw/zinc/63/01/92/609630192.db2.gz ISCVCORDVCCDJG-FZKQIMNGSA-N -1 3 380.448 3.502 20 0 GHADHM C[C@@H](C1CC1)N(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000545292702 837405684 /nfs/dbraw/zinc/40/56/84/837405684.db2.gz GEVMAAQYSILDEC-JTQLQIEISA-N -1 3 375.266 3.694 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnc(OCC2CC2)cn1 ZINC000584425101 834573655 /nfs/dbraw/zinc/57/36/55/834573655.db2.gz HUFFAWAAUDYTMU-UHFFFAOYSA-N -1 3 387.852 3.690 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000157130435 834767658 /nfs/dbraw/zinc/76/76/58/834767658.db2.gz OVPHJIRYFRBBLH-UHFFFAOYSA-N -1 3 398.850 3.951 20 0 GHADHM O=S(=O)([N-]Cc1cn2ccsc2n1)c1cc(Cl)ccc1C(F)(F)F ZINC000510064373 834796261 /nfs/dbraw/zinc/79/62/61/834796261.db2.gz DLCKXSGMRHEYNJ-UHFFFAOYSA-N -1 3 395.815 3.547 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000654930677 834811479 /nfs/dbraw/zinc/81/14/79/834811479.db2.gz RBCCZEOHALFUSE-JTQLQIEISA-N -1 3 398.410 3.555 20 0 GHADHM CC(C)(C)c1nc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cs1 ZINC000511281583 834975448 /nfs/dbraw/zinc/97/54/48/834975448.db2.gz NTCCNLAJUZWLCL-UHFFFAOYSA-N -1 3 379.283 3.525 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1C ZINC000583793628 835044950 /nfs/dbraw/zinc/04/49/50/835044950.db2.gz PROKCHOZQJDAEU-ORAYPTAESA-N -1 3 388.489 3.566 20 0 GHADHM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC001125754017 835114805 /nfs/dbraw/zinc/11/48/05/835114805.db2.gz JXGDQQUZLGGNJG-UHFFFAOYSA-N -1 3 384.819 3.999 20 0 GHADHM COc1cccc(Cl)c1CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000158070739 835210538 /nfs/dbraw/zinc/21/05/38/835210538.db2.gz HMEAUOUUCKPZIP-UHFFFAOYSA-N -1 3 383.835 3.589 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1Cl ZINC000583919028 835242809 /nfs/dbraw/zinc/24/28/09/835242809.db2.gz ZLSQJHLODZCGGZ-UHFFFAOYSA-N -1 3 395.864 3.893 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000583956559 835292532 /nfs/dbraw/zinc/29/25/32/835292532.db2.gz MXNGBRBPMCIAEL-UHFFFAOYSA-N -1 3 391.489 3.527 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000433353922 844039114 /nfs/dbraw/zinc/03/91/14/844039114.db2.gz QYONPFRGLPJSCG-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)c([O-])c1C ZINC000052706588 835307020 /nfs/dbraw/zinc/30/70/20/835307020.db2.gz DRZDLZCSXQIWIG-UHFFFAOYSA-N -1 3 380.366 3.782 20 0 GHADHM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc3sccc3c([O-])c1)CCS2 ZINC000890599672 835338682 /nfs/dbraw/zinc/33/86/82/835338682.db2.gz BZUDAHPTNNJXMM-MLZJXEJWSA-N -1 3 391.514 3.554 20 0 GHADHM O=S(=O)([N-]CCCOc1ccccc1F)c1ccc(F)cc1C(F)(F)F ZINC000728580553 835372524 /nfs/dbraw/zinc/37/25/24/835372524.db2.gz IOLMVXYYKIYOFS-UHFFFAOYSA-N -1 3 395.349 3.731 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2)cc1 ZINC000274799275 835374753 /nfs/dbraw/zinc/37/47/53/835374753.db2.gz JSAMDNCAMYRKHC-IBGZPJMESA-N -1 3 399.447 3.917 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2)cc1 ZINC000274799275 835374760 /nfs/dbraw/zinc/37/47/60/835374760.db2.gz JSAMDNCAMYRKHC-IBGZPJMESA-N -1 3 399.447 3.917 20 0 GHADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)[C@@H]1CCc2ccccc21 ZINC000429940644 844047096 /nfs/dbraw/zinc/04/70/96/844047096.db2.gz AYRBKFOVEBZPHT-MRXNPFEDSA-N -1 3 385.265 3.670 20 0 GHADHM COC(=O)c1ccnc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c1 ZINC000151351332 835393025 /nfs/dbraw/zinc/39/30/25/835393025.db2.gz ZCAJGUJCVIZMKC-UHFFFAOYSA-N -1 3 381.388 3.639 20 0 GHADHM COCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000030436962 835514209 /nfs/dbraw/zinc/51/42/09/835514209.db2.gz MLZYEXFGKVCDMB-UHFFFAOYSA-N -1 3 396.317 3.559 20 0 GHADHM CC(C)c1ccc(/C=C/CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000428017543 835571665 /nfs/dbraw/zinc/57/16/65/835571665.db2.gz NKTXPGMNVYNQSR-AATRIKPKSA-N -1 3 379.460 3.748 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1OC(F)F ZINC000151596523 835579250 /nfs/dbraw/zinc/57/92/50/835579250.db2.gz VFLRYMYCKNSGFN-UHFFFAOYSA-N -1 3 390.155 3.825 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000151631338 835677225 /nfs/dbraw/zinc/67/72/25/835677225.db2.gz VYPGVGVGIHIKPD-VIFPVBQESA-N -1 3 385.283 3.557 20 0 GHADHM Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047268362 835680486 /nfs/dbraw/zinc/68/04/86/835680486.db2.gz BMBDYOFMRKDLJR-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1csc(-c2ccccc2)n1 ZINC000547716120 835689712 /nfs/dbraw/zinc/68/97/12/835689712.db2.gz WXOFWZVHHOUOND-OAHLLOKOSA-N -1 3 390.461 3.751 20 0 GHADHM C[C@@H]1CN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000429948958 844084857 /nfs/dbraw/zinc/08/48/57/844084857.db2.gz GDXVDZYPNRPLJQ-KCPJHIHWSA-N -1 3 377.286 3.561 20 0 GHADHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C[C@H](C)O2 ZINC000584210302 835764373 /nfs/dbraw/zinc/76/43/73/835764373.db2.gz JXWSARFAUJJTJW-SAHWJRBASA-N -1 3 397.471 3.983 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC[C@H]1C1CC1 ZINC000683262801 835789526 /nfs/dbraw/zinc/78/95/26/835789526.db2.gz YVZLFWUXRARUNI-AWEZNQCLSA-N -1 3 395.684 3.959 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c(Br)c1 ZINC001211615186 835936763 /nfs/dbraw/zinc/93/67/63/835936763.db2.gz ZEEINHRRGUNNLY-JTQLQIEISA-N -1 3 396.734 3.647 20 0 GHADHM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748091747 836173672 /nfs/dbraw/zinc/17/36/72/836173672.db2.gz IJDIEIPLABDKPA-UHFFFAOYSA-N -1 3 397.500 3.679 20 0 GHADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000683323446 836427877 /nfs/dbraw/zinc/42/78/77/836427877.db2.gz CNATZVXMKAHCLV-UHFFFAOYSA-N -1 3 386.256 3.932 20 0 GHADHM C[C@H](NCc1ncc(Br)cc1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000892505582 836468664 /nfs/dbraw/zinc/46/86/64/836468664.db2.gz COXWVZJIOMGARM-NSHDSACASA-N -1 3 390.281 3.749 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1F ZINC000177406651 836482586 /nfs/dbraw/zinc/48/25/86/836482586.db2.gz VSEFTCDUIHSDQX-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000748095411 836506364 /nfs/dbraw/zinc/50/63/64/836506364.db2.gz LVBCBQVDWDMMAU-INIZCTEOSA-N -1 3 397.500 3.569 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3cnc4ccccc4c3)[n-]c(=O)c12 ZINC000549041513 836668835 /nfs/dbraw/zinc/66/88/35/836668835.db2.gz MHTNGDOKWUMSMR-UHFFFAOYSA-N -1 3 392.440 3.666 20 0 GHADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cnn1-c1ccccc1F ZINC000178804056 844190297 /nfs/dbraw/zinc/19/02/97/844190297.db2.gz JCGHPPDAWGWWJX-ZHACJKMWSA-N -1 3 375.400 3.872 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000275321808 836712545 /nfs/dbraw/zinc/71/25/45/836712545.db2.gz TVPLRTXYRXPZQL-HBMCJLEFSA-N -1 3 379.504 3.916 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)s1 ZINC000161101130 844202082 /nfs/dbraw/zinc/20/20/82/844202082.db2.gz FWFJXELDNFFAKY-UHFFFAOYSA-N -1 3 379.429 3.765 20 0 GHADHM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110084757 844208639 /nfs/dbraw/zinc/20/86/39/844208639.db2.gz DNCKMQLHIUEZCY-UHFFFAOYSA-N -1 3 387.439 3.765 20 0 GHADHM Cc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(F)c1Cl ZINC000511385920 836851629 /nfs/dbraw/zinc/85/16/29/836851629.db2.gz WEQDRWSLLWMHDH-UHFFFAOYSA-N -1 3 382.620 3.872 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1OC ZINC000430380886 836893139 /nfs/dbraw/zinc/89/31/39/836893139.db2.gz ZFJVAVKGOKFVJY-UHFFFAOYSA-N -1 3 397.880 3.872 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000176190362 844225267 /nfs/dbraw/zinc/22/52/67/844225267.db2.gz PMHGODUQLGSGCP-UHFFFAOYSA-N -1 3 387.274 3.787 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cc(Br)ccc1Cl ZINC000186160016 837071275 /nfs/dbraw/zinc/07/12/75/837071275.db2.gz XANPKBOJSJFNNH-LBPRGKRZSA-N -1 3 396.734 3.730 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000548985351 837219177 /nfs/dbraw/zinc/21/91/77/837219177.db2.gz QXPICQMVIQYUSL-ZSBIGDGJSA-N -1 3 396.372 3.691 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000473362659 844248260 /nfs/dbraw/zinc/24/82/60/844248260.db2.gz XZSVMGXZGOQGTF-UHFFFAOYSA-N -1 3 387.779 3.594 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(C[C@@H]1COCCO1)C(F)(F)F ZINC000613183344 837367052 /nfs/dbraw/zinc/36/70/52/837367052.db2.gz QUPCZOMDPAATPU-RKDXNWHRSA-N -1 3 388.169 3.622 20 0 GHADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1OCC(F)F ZINC000414075476 837380820 /nfs/dbraw/zinc/38/08/20/837380820.db2.gz NWGWJVWFISVECG-UTCJRWHESA-N -1 3 378.375 3.891 20 0 GHADHM CN(C)c1nc(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)cc(=O)[n-]1 ZINC000549321130 837863258 /nfs/dbraw/zinc/86/32/58/837863258.db2.gz VFPQDXZVIOLCLO-CQSZACIVSA-N -1 3 396.516 3.558 20 0 GHADHM CS(=O)(=O)c1cc(Br)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223523 837901079 /nfs/dbraw/zinc/90/10/79/837901079.db2.gz YKDNSPXXBRMRTH-UHFFFAOYSA-N -1 3 376.659 3.955 20 0 GHADHM COc1cc(C(=O)OCc2ccc(Br)cc2F)cc(OC)c1[O-] ZINC000754266517 837985065 /nfs/dbraw/zinc/98/50/65/837985065.db2.gz FDPVKLSISXHSJV-UHFFFAOYSA-N -1 3 385.185 3.668 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CSc4ccccc4O3)nc2)n1 ZINC000579952379 837999396 /nfs/dbraw/zinc/99/93/96/837999396.db2.gz ZNTFJMZCQPHJAS-OAHLLOKOSA-N -1 3 380.473 3.772 20 0 GHADHM COCCSc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000159015410 838271530 /nfs/dbraw/zinc/27/15/30/838271530.db2.gz RXCBGNCGPJAHBA-ZDUSSCGKSA-N -1 3 378.469 3.830 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000892678598 838281007 /nfs/dbraw/zinc/28/10/07/838281007.db2.gz IPMJOZGVYVWHIF-GFCCVEGCSA-N -1 3 390.281 3.527 20 0 GHADHM CN(C)c1ccnc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1 ZINC000589166430 838333535 /nfs/dbraw/zinc/33/35/35/838333535.db2.gz CYUAVABGINLAKW-UHFFFAOYSA-N -1 3 376.247 3.519 20 0 GHADHM Fc1cc(Br)ccc1[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000613572056 838352087 /nfs/dbraw/zinc/35/20/87/838352087.db2.gz CYZLBJHKGFSZMY-MRXNPFEDSA-N -1 3 398.239 3.830 20 0 GHADHM CC(C)(C)c1ccc(C(F)(F)C(=O)[N-][C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC001267736991 838465042 /nfs/dbraw/zinc/46/50/42/838465042.db2.gz YGXWGEBMNUOHBG-MRXNPFEDSA-N -1 3 378.394 3.558 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)sc1Cl ZINC000188105679 838523176 /nfs/dbraw/zinc/52/31/76/838523176.db2.gz ODOZBSCOGLBSFU-JTQLQIEISA-N -1 3 383.882 3.799 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000188154227 838558395 /nfs/dbraw/zinc/55/83/95/838558395.db2.gz ZNBNNTFCXQEDNV-GXTWGEPZSA-N -1 3 393.864 3.797 20 0 GHADHM CC[C@@H](CSC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180179521 838558877 /nfs/dbraw/zinc/55/88/77/838558877.db2.gz OIOCKMKHMKYEOA-HKUYNNGSSA-N -1 3 386.517 3.511 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)sc1Cl ZINC000433475615 844347897 /nfs/dbraw/zinc/34/78/97/844347897.db2.gz SXJYDNXENZWXBP-CQSZACIVSA-N -1 3 384.954 3.905 20 0 GHADHM O=C(C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1 ZINC000378218766 838643470 /nfs/dbraw/zinc/64/34/70/838643470.db2.gz PJJDMEBFLLDKPG-INIZCTEOSA-N -1 3 378.403 3.545 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cn3cc(Cl)ccc3n2)C[C@H]1c1ccc(Cl)cc1 ZINC000659796762 838679835 /nfs/dbraw/zinc/67/98/35/838679835.db2.gz ALQUFEPOCFZADC-DLBZAZTESA-N -1 3 390.270 3.941 20 0 GHADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000659798496 838681166 /nfs/dbraw/zinc/68/11/66/838681166.db2.gz FWULSSQLXREXLF-PUECVXPYSA-N -1 3 389.883 3.927 20 0 GHADHM CSCCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183860451 838865834 /nfs/dbraw/zinc/86/58/34/838865834.db2.gz WJFMZPFSYGVIES-IBGZPJMESA-N -1 3 386.517 3.513 20 0 GHADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183058081 838893603 /nfs/dbraw/zinc/89/36/03/838893603.db2.gz LNLFTKUCKHESFE-UHFFFAOYSA-N -1 3 382.460 3.624 20 0 GHADHM Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000046114974 838919661 /nfs/dbraw/zinc/91/96/61/838919661.db2.gz IBLDBADWQOKARB-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000124661470 839136958 /nfs/dbraw/zinc/13/69/58/839136958.db2.gz LCVNILNMCIGCFD-AWEZNQCLSA-N -1 3 377.444 3.965 20 0 GHADHM COc1ccc([C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000182735332 839142930 /nfs/dbraw/zinc/14/29/30/839142930.db2.gz DNBPWEMKQWSWQV-IBGZPJMESA-N -1 3 378.494 3.885 20 0 GHADHM COc1ccc2c(ccn2CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613705909 839173150 /nfs/dbraw/zinc/17/31/50/839173150.db2.gz VLLGNNIBMNRZRW-UHFFFAOYSA-N -1 3 375.222 3.757 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1F ZINC000217114100 839221584 /nfs/dbraw/zinc/22/15/84/839221584.db2.gz CSYHYHAFGDFZRV-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C\c2ccc(C)cc2)cc1OC ZINC000255362994 839238574 /nfs/dbraw/zinc/23/85/74/839238574.db2.gz DIEVOAYYKVHGTI-WAYWQWQTSA-N -1 3 388.489 3.807 20 0 GHADHM O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cc([O-])ccc1Cl ZINC000511557073 839255502 /nfs/dbraw/zinc/25/55/02/839255502.db2.gz SWUUKTVCITTWHX-UHFFFAOYSA-N -1 3 381.259 3.784 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000416501181 839325792 /nfs/dbraw/zinc/32/57/92/839325792.db2.gz HAXHUTTZPKEWJZ-SNVBAGLBSA-N -1 3 396.734 3.586 20 0 GHADHM O=c1[n-]nc(SCCCc2nc3ccccc3[nH]2)n1CCc1ccccc1 ZINC000683901759 839365622 /nfs/dbraw/zinc/36/56/22/839365622.db2.gz LYUPLHLRAQAPEW-UHFFFAOYSA-N -1 3 379.489 3.828 20 0 GHADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000416536625 839394698 /nfs/dbraw/zinc/39/46/98/839394698.db2.gz MGHZYDYFQMVQFC-LLVKDONJSA-N -1 3 389.340 3.595 20 0 GHADHM CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000025449399 844442225 /nfs/dbraw/zinc/44/22/25/844442225.db2.gz TXWLKXNSSUBABT-JOCHJYFZSA-N -1 3 394.515 3.897 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCC(F)(F)CC2)c1Cl ZINC000660069676 839531225 /nfs/dbraw/zinc/53/12/25/839531225.db2.gz OGDOTJWNNPOLDB-UHFFFAOYSA-N -1 3 388.263 3.521 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1c(F)cccc1OC(F)(F)F ZINC000580466130 839606698 /nfs/dbraw/zinc/60/66/98/839606698.db2.gz MIKLSWUFKPBFMQ-JOCQHMNTSA-N -1 3 389.370 3.949 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC4(CC4)C3)ccc2C)c(C)c1 ZINC000580523908 839738939 /nfs/dbraw/zinc/73/89/39/839738939.db2.gz OCDRCTHGPMEXBK-UHFFFAOYSA-N -1 3 398.528 3.957 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000050363264 839939427 /nfs/dbraw/zinc/93/94/27/839939427.db2.gz SSVWEURLCBGMQA-NRFANRHFSA-N -1 3 393.464 3.785 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)ccc1F ZINC000471613060 840059478 /nfs/dbraw/zinc/05/94/78/840059478.db2.gz PGLKNRXPWCCLJE-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM O=c1[n-]c(SCCC(Cl)(Cl)Cl)nc2c1cnn2-c1ccccc1 ZINC000185129857 840145451 /nfs/dbraw/zinc/14/54/51/840145451.db2.gz AUINDGYPSIRITK-UHFFFAOYSA-N -1 3 389.695 3.961 20 0 GHADHM COC[C@@H](C)[C@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000580826415 840286769 /nfs/dbraw/zinc/28/67/69/840286769.db2.gz RBYPHFIMCQKPBA-ZJUUUORDSA-N -1 3 392.257 3.670 20 0 GHADHM O=c1nc(CN[C@H]([C@H]2CCOC2)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000933013369 840447932 /nfs/dbraw/zinc/44/79/32/840447932.db2.gz VZVPVFVLSTXAHZ-LKFCYVNXSA-N -1 3 399.394 3.714 20 0 GHADHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000660163828 840529537 /nfs/dbraw/zinc/52/95/37/840529537.db2.gz WPSFKQYPFNCNIW-HZMBPMFUSA-N -1 3 393.814 3.759 20 0 GHADHM CCOc1ccc(-c2nc(C[S@@](=O)Cc3cc(=O)[n-]c(C4CC4)n3)co2)cc1 ZINC000417178972 840567689 /nfs/dbraw/zinc/56/76/89/840567689.db2.gz PHQNQJYYKLOMOQ-NDEPHWFRSA-N -1 3 399.472 3.562 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000584720343 840665368 /nfs/dbraw/zinc/66/53/68/840665368.db2.gz ZSCVJVSDLOLQJE-GTCCEBARSA-N -1 3 398.478 3.559 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](CC)C3)nc(=O)c2c1C ZINC000030142804 844568073 /nfs/dbraw/zinc/56/80/73/844568073.db2.gz MHXIOUIPAQXMLW-QWHCGFSZSA-N -1 3 377.510 3.653 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c([O-])c1 ZINC000277031118 844576770 /nfs/dbraw/zinc/57/67/70/844576770.db2.gz XTSVFNAZPCCELT-QGZVFWFLSA-N -1 3 385.464 3.599 20 0 GHADHM Cc1noc(-c2ccccc2C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)n1 ZINC000780391103 840820839 /nfs/dbraw/zinc/82/08/39/840820839.db2.gz QNLVBDDKXFVSLN-UHFFFAOYSA-N -1 3 388.383 3.735 20 0 GHADHM CN(Cc1cc(Br)cn1C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468826258 840859759 /nfs/dbraw/zinc/85/97/59/840859759.db2.gz DLEIIYGLZSAPDN-UHFFFAOYSA-N -1 3 383.261 3.614 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C)c1 ZINC000432173755 840924000 /nfs/dbraw/zinc/92/40/00/840924000.db2.gz BBDZOBNJLIYGRX-UHFFFAOYSA-N -1 3 386.473 3.816 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC001211737100 844590137 /nfs/dbraw/zinc/59/01/37/844590137.db2.gz QDQXTTKYEKKPNV-GXTWGEPZSA-N -1 3 385.407 3.727 20 0 GHADHM CCS[C@@H](C(=O)Nc1cc(I)ccc1[O-])C(C)C ZINC000610490385 840949536 /nfs/dbraw/zinc/94/95/36/840949536.db2.gz OFOGIAWVMQPUGT-GFCCVEGCSA-N -1 3 379.263 3.713 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccnc2ccccc21 ZINC000610490200 840951265 /nfs/dbraw/zinc/95/12/65/840951265.db2.gz DVNMZSGORDEXPD-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM CCc1nnc([N-]C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)s1 ZINC000198154306 840967531 /nfs/dbraw/zinc/96/75/31/840967531.db2.gz ZGZIUXQVHRGODX-UHFFFAOYSA-N -1 3 381.383 3.866 20 0 GHADHM CCO[C@@H](C(=O)Nc1cc(I)ccc1[O-])c1ccccc1 ZINC000610491152 840967637 /nfs/dbraw/zinc/96/76/37/840967637.db2.gz VERSWTGLDBCXLW-OAHLLOKOSA-N -1 3 397.212 3.713 20 0 GHADHM C[C@@H](C(=O)Nc1cc(I)ccc1[O-])c1cccc(F)c1 ZINC000610490845 840971844 /nfs/dbraw/zinc/97/18/44/840971844.db2.gz JTEAVNRKSNPLJW-SECBINFHSA-N -1 3 385.176 3.878 20 0 GHADHM C[C@@H](CCCCC(=O)[O-])NCc1ccc(F)cc1I ZINC000417551084 840993322 /nfs/dbraw/zinc/99/33/22/840993322.db2.gz YCNLQEWASBRIEF-JTQLQIEISA-N -1 3 379.213 3.553 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430548758 841008956 /nfs/dbraw/zinc/00/89/56/841008956.db2.gz HLEWLXRCBMIFFT-QMMMGPOBSA-N -1 3 383.673 3.720 20 0 GHADHM [O-]c1cccnc1CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000581288673 841015242 /nfs/dbraw/zinc/01/52/42/841015242.db2.gz LJNHKWBNNOCJRL-UHFFFAOYSA-N -1 3 387.896 3.914 20 0 GHADHM CC(C)CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000025348407 844601101 /nfs/dbraw/zinc/60/11/01/844601101.db2.gz VWRNBCWCGWOSNU-LBPRGKRZSA-N -1 3 395.352 3.603 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1cccc(F)c1Br)C(=O)[O-] ZINC000417622983 841061739 /nfs/dbraw/zinc/06/17/39/841061739.db2.gz ILPMIQCIGDFVGN-CYBMUJFWSA-N -1 3 376.291 3.830 20 0 GHADHM COc1c(Cl)cc(Cl)cc1CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417629905 841068260 /nfs/dbraw/zinc/06/82/60/841068260.db2.gz WBOIAGUWWDLIQT-CYBMUJFWSA-N -1 3 392.279 3.667 20 0 GHADHM C[C@H](CC(C)(C)NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC000417630066 841068859 /nfs/dbraw/zinc/06/88/59/841068859.db2.gz BZBRDFYUMMYZEM-MRVPVSSYSA-N -1 3 394.107 3.586 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417635750 841073704 /nfs/dbraw/zinc/07/37/04/841073704.db2.gz WUIRNONATKKVCX-GFCCVEGCSA-N -1 3 375.778 3.577 20 0 GHADHM COc1cc(Br)c(CN[C@@H](CCC(C)(C)C)C(=O)[O-])c(OC)c1 ZINC000417639675 841089965 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(=O)c3ccccc3)c2)n1 ZINC000049303448 841501982 /nfs/dbraw/zinc/50/19/82/841501982.db2.gz GFFQUZUFAXPZIU-UHFFFAOYSA-N -1 3 375.428 3.601 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC(C)(C)Cc3ccccc3C)c(=O)c2c(OC)c1 ZINC000625222630 861208137 /nfs/dbraw/zinc/20/81/37/861208137.db2.gz KMHABGGPYKSJCJ-UHFFFAOYSA-N -1 3 394.471 3.605 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(NC(C)=O)c(Cl)c1)C1CCCCC1 ZINC000656615389 841568386 /nfs/dbraw/zinc/56/83/86/841568386.db2.gz HLKPZSDXDQRKNI-KRWDZBQOSA-N -1 3 388.917 3.635 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1)C1CCCC1 ZINC000656624801 841605281 /nfs/dbraw/zinc/60/52/81/841605281.db2.gz RFAVSOKWYJNCEF-SFHVURJKSA-N -1 3 376.478 3.821 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c(C)c1 ZINC000581529789 841610654 /nfs/dbraw/zinc/61/06/54/841610654.db2.gz ZSADXONXZMHUMH-BFUOFWGJSA-N -1 3 388.489 3.566 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c(C)o1 ZINC000549541815 841617400 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392.499 3.902 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2s[n-]c(=O)c2Cl)c2ccccc2)CC1 ZINC000555558276 861245041 /nfs/dbraw/zinc/24/50/41/861245041.db2.gz IHGBNFUGUAEMQF-AWEZNQCLSA-N -1 3 379.913 3.705 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000656756994 841891362 /nfs/dbraw/zinc/89/13/62/841891362.db2.gz JEEDWLWZOHIAAZ-ZJUUUORDSA-N -1 3 386.197 3.957 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@@H]12 ZINC000656765504 841901012 /nfs/dbraw/zinc/90/10/12/841901012.db2.gz NOVUYVXWBLGKNM-XHSDSOJGSA-N -1 3 375.856 3.855 20 0 GHADHM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000909370803 842025488 /nfs/dbraw/zinc/02/54/88/842025488.db2.gz DECPWFYZGHGUPE-RXVVDRJESA-N -1 3 398.478 3.678 20 0 GHADHM COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc([O-])cc(F)c1 ZINC000473137575 842073545 /nfs/dbraw/zinc/07/35/45/842073545.db2.gz BKXHMBUVYBOEPF-MRXNPFEDSA-N -1 3 382.229 3.640 20 0 GHADHM C[C@H]1C[C@H](C)N(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000430663782 842296945 /nfs/dbraw/zinc/29/69/45/842296945.db2.gz UOEHLWDTEVRSPB-IUCAKERBSA-N -1 3 383.673 3.815 20 0 GHADHM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C(C)C ZINC000471741545 842322469 /nfs/dbraw/zinc/32/24/69/842322469.db2.gz NQDKYPZFKHZONE-IBGZPJMESA-N -1 3 390.505 3.714 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000730810615 861297651 /nfs/dbraw/zinc/29/76/51/861297651.db2.gz CWMUUSCUKRFCHS-GHMZBOCLSA-N -1 3 394.306 3.701 20 0 GHADHM Cn1c2ccccc2nc1C(C)(C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000473161577 842349932 /nfs/dbraw/zinc/34/99/32/842349932.db2.gz HFCIVSNZXKMCCF-UHFFFAOYSA-N -1 3 387.443 3.993 20 0 GHADHM CN(C[C@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652374351 842393004 /nfs/dbraw/zinc/39/30/04/842393004.db2.gz OSZACAYOEPQNRI-YVEFUNNKSA-N -1 3 381.350 3.603 20 0 GHADHM COc1cc2c(cc1OC)CCN(Cc1c(Cl)cccc1C(=O)[O-])CC2 ZINC000652402318 842459292 /nfs/dbraw/zinc/45/92/92/842459292.db2.gz ZUAMSANETOECBC-UHFFFAOYSA-N 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ZINC000432488787 842657639 /nfs/dbraw/zinc/65/76/39/842657639.db2.gz HNRZBWFZOTUFOA-HNNXBMFYSA-N -1 3 378.519 3.595 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2nnc3ccccc3c2[O-])c2ccccc2)cc1 ZINC000261406628 842662273 /nfs/dbraw/zinc/66/22/73/842662273.db2.gz PSCRPIKYUQBPKQ-FQEVSTJZSA-N -1 3 385.423 3.863 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000548368222 842825051 /nfs/dbraw/zinc/82/50/51/842825051.db2.gz AMOYPMYDIUETQX-UHFFFAOYSA-N -1 3 392.521 3.592 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000548368841 842828982 /nfs/dbraw/zinc/82/89/82/842828982.db2.gz XKLQDHKRCTURMK-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000120329060 842856376 /nfs/dbraw/zinc/85/63/76/842856376.db2.gz XSJNQVZNTMIPTR-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM O=C(Nc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1)c1ccccc1 ZINC000053821980 842899053 /nfs/dbraw/zinc/89/90/53/842899053.db2.gz ZZEPEOIGNFVVQY-UHFFFAOYSA-N -1 3 376.368 3.626 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)ccc1C ZINC000663261460 842939941 /nfs/dbraw/zinc/93/99/41/842939941.db2.gz KTFWAWBMUZQHIY-KRWDZBQOSA-N -1 3 396.415 3.541 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2F)c1 ZINC000184970808 842981495 /nfs/dbraw/zinc/98/14/95/842981495.db2.gz YCPQBDSHMILOLC-LBPRGKRZSA-N -1 3 397.406 3.913 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000471870982 843072208 /nfs/dbraw/zinc/07/22/08/843072208.db2.gz MTYZGPGCXZAAHS-CQSZACIVSA-N -1 3 389.452 3.673 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)c(F)c3)n2)cc1 ZINC000471877321 843180941 /nfs/dbraw/zinc/18/09/41/843180941.db2.gz MOWLQURFMKJNCZ-ZDUSSCGKSA-N -1 3 389.452 3.786 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1csc(-c2ccc(Cl)cc2)n1 ZINC000471879567 843202871 /nfs/dbraw/zinc/20/28/71/843202871.db2.gz DKBAJHRMSLVUCR-ZNMIVQPWSA-N -1 3 398.937 3.699 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)Cc3cccc(F)c3)n2)cc1F ZINC000471887298 843246622 /nfs/dbraw/zinc/24/66/22/843246622.db2.gz JDSBCMPIIFRPQB-GFCCVEGCSA-N -1 3 393.415 3.504 20 0 GHADHM COc1ccccc1[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000730995660 861397028 /nfs/dbraw/zinc/39/70/28/861397028.db2.gz HWHGQTULGNJOJC-MNJKBJKMSA-N -1 3 384.435 3.685 20 0 GHADHM Cc1ccsc1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000471894211 843297979 /nfs/dbraw/zinc/29/79/79/843297979.db2.gz WWKSRHZIIBPNGS-NSHDSACASA-N -1 3 381.454 3.594 20 0 GHADHM CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000112278262 843351413 /nfs/dbraw/zinc/35/14/13/843351413.db2.gz CHDNDDKUQLAKRW-UHFFFAOYSA-N -1 3 398.507 3.503 20 0 GHADHM O=C(Cc1ccccc1F)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000512312759 843362923 /nfs/dbraw/zinc/36/29/23/843362923.db2.gz ABNFBVIRRPJGQW-UHFFFAOYSA-N -1 3 392.203 3.721 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000108076244 843456052 /nfs/dbraw/zinc/45/60/52/843456052.db2.gz DFTFXFUMEKJVGY-IYBDPMFKSA-N -1 3 392.496 3.857 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](CC4CCCCC4)C3=O)cc2)cc(=O)[n-]1 ZINC000349284380 861425239 /nfs/dbraw/zinc/42/52/39/861425239.db2.gz XKAANXMIMVJZII-SFHVURJKSA-N -1 3 380.448 3.553 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000535665408 843765364 /nfs/dbraw/zinc/76/53/64/843765364.db2.gz IWHDACHRWBCFSW-UHFFFAOYSA-N -1 3 389.477 3.729 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1Cl ZINC000432780793 843807261 /nfs/dbraw/zinc/80/72/61/843807261.db2.gz OXEPACRDWIZXRI-UHFFFAOYSA-N -1 3 386.832 3.555 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nccs1 ZINC000429885107 843837216 /nfs/dbraw/zinc/83/72/16/843837216.db2.gz YTZMSUJRXWBFCP-QMMMGPOBSA-N -1 3 395.731 3.641 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429881124 843845180 /nfs/dbraw/zinc/84/51/80/843845180.db2.gz BSTWNWKNPRVNPP-MNOVXSKESA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000021871375 843874923 /nfs/dbraw/zinc/87/49/23/843874923.db2.gz DIEZSPBCADVDKD-UHFFFAOYSA-N -1 3 395.349 3.522 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCC4(CC4)CC3)nc(=O)c2c1C ZINC000599673799 861469319 /nfs/dbraw/zinc/46/93/19/861469319.db2.gz ZEIXOJRNPXESBV-CYBMUJFWSA-N -1 3 389.521 3.797 20 0 GHADHM Cc1ncc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000500868369 844639811 /nfs/dbraw/zinc/63/98/11/844639811.db2.gz RLLARELALQKRRA-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1(F)F ZINC000657156809 844695934 /nfs/dbraw/zinc/69/59/34/844695934.db2.gz HRVPJNREOQIQMG-GFCCVEGCSA-N -1 3 375.771 3.655 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2cc(I)ccc2[O-])cn1 ZINC000610936793 844871488 /nfs/dbraw/zinc/87/14/88/844871488.db2.gz IFJRPAXERXNTKQ-UHFFFAOYSA-N -1 3 382.201 3.768 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000535902604 845107558 /nfs/dbraw/zinc/10/75/58/845107558.db2.gz XOOSPTMRQCFUDH-YDBLSZJJSA-N -1 3 395.477 3.657 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccn3)C3CC3)cc2)cc(=O)[n-]1 ZINC000509920251 845112789 /nfs/dbraw/zinc/11/27/89/845112789.db2.gz QYBVUPLPJCVZBB-UHFFFAOYSA-N -1 3 375.432 3.749 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)o2)c(C)c1 ZINC000433086831 845241273 /nfs/dbraw/zinc/24/12/73/845241273.db2.gz GDJUYAOMHZBRRC-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000512737766 845278292 /nfs/dbraw/zinc/27/82/92/845278292.db2.gz IOYUHZOIWJRTIL-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000664191837 845494599 /nfs/dbraw/zinc/49/45/99/845494599.db2.gz FOYGNZZYKQGONV-XIKOKIGWSA-N -1 3 378.831 3.856 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)sc1C ZINC000509931973 845600207 /nfs/dbraw/zinc/60/02/07/845600207.db2.gz WWEALTKOBHKTLB-UHFFFAOYSA-N -1 3 384.832 3.911 20 0 GHADHM O=C(NCc1ncccc1[O-])NC(Cc1ccccc1F)Cc1ccccc1F ZINC000472063945 845654322 /nfs/dbraw/zinc/65/43/22/845654322.db2.gz PNWKZIGQRDMTAJ-UHFFFAOYSA-N -1 3 397.425 3.719 20 0 GHADHM CC(C)(C)c1noc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)n1 ZINC000657285206 845671116 /nfs/dbraw/zinc/67/11/16/845671116.db2.gz YVUUWPUTFRMGEZ-UHFFFAOYSA-N -1 3 396.476 3.553 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)n1 ZINC000622891068 845795213 /nfs/dbraw/zinc/79/52/13/845795213.db2.gz DJQVAQPCBXOTSP-UHFFFAOYSA-N -1 3 376.247 3.971 20 0 GHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)n1 ZINC000472123389 846001961 /nfs/dbraw/zinc/00/19/61/846001961.db2.gz BFQKACKOWCREJS-UHFFFAOYSA-N -1 3 382.482 3.946 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000157928490 846266697 /nfs/dbraw/zinc/26/66/97/846266697.db2.gz WKKCSCAPYVSLBO-UHFFFAOYSA-N -1 3 379.825 3.686 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1Cc1ccccc1Br ZINC000421617464 846408277 /nfs/dbraw/zinc/40/82/77/846408277.db2.gz DKZQOUCIVKYZRL-CYBMUJFWSA-N -1 3 376.250 3.708 20 0 GHADHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000431362241 846432080 /nfs/dbraw/zinc/43/20/80/846432080.db2.gz DUGSELQTVVNUTI-UHFFFAOYSA-N -1 3 397.394 3.553 20 0 GHADHM CS[C@H](C)Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000582137114 846458983 /nfs/dbraw/zinc/45/89/83/846458983.db2.gz WANBKGJSENHEIK-MRVPVSSYSA-N -1 3 380.271 3.578 20 0 GHADHM C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br)c1cccc(F)c1 ZINC000421684313 846465036 /nfs/dbraw/zinc/46/50/36/846465036.db2.gz XRPMEIWFXIRAGH-MRVPVSSYSA-N -1 3 394.166 3.511 20 0 GHADHM CC[C@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681643 846484536 /nfs/dbraw/zinc/48/45/36/846484536.db2.gz YOVJQOWISWAEBY-UWVGGRQHSA-N -1 3 382.224 3.785 20 0 GHADHM COc1cc(-c2noc(CSCc3cc(=O)[n-]c(C4CC4)n3)n2)ccc1C ZINC000419435612 846549800 /nfs/dbraw/zinc/54/98/00/846549800.db2.gz COBDQBHUZCNQHZ-UHFFFAOYSA-N -1 3 384.461 3.860 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccccc2F)C1)c1cnccc1C(F)(F)F ZINC000481563657 861693697 /nfs/dbraw/zinc/69/36/97/861693697.db2.gz DBZDSCOVGCNZMF-VXGBXAGGSA-N -1 3 388.386 3.854 20 0 GHADHM COc1ccccc1[C@H](C)N(C)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419583599 846658134 /nfs/dbraw/zinc/65/81/34/846658134.db2.gz HMOCOTIUOZNTTJ-ZDUSSCGKSA-N -1 3 387.505 3.521 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1csnc1-c1ccccc1 ZINC000647890219 846670559 /nfs/dbraw/zinc/67/05/59/846670559.db2.gz ATIQXNAUCKVOPH-UHFFFAOYSA-N -1 3 383.498 3.812 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000419606002 846671858 /nfs/dbraw/zinc/67/18/58/846671858.db2.gz REPUKVPVYMKBNE-UHFFFAOYSA-N -1 3 383.395 3.950 20 0 GHADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)NCc1ccc(Cl)cc1 ZINC000419606324 846672503 /nfs/dbraw/zinc/67/25/03/846672503.db2.gz ROXNAELSEAQLQS-NSHDSACASA-N -1 3 377.897 3.651 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000421927207 846690149 /nfs/dbraw/zinc/69/01/49/846690149.db2.gz RFTHDTQHCQKFNJ-GDBMZVCRSA-N -1 3 379.472 3.823 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)cs1 ZINC000058695026 846728969 /nfs/dbraw/zinc/72/89/69/846728969.db2.gz QNRVURIXKFFJJB-UHFFFAOYSA-N -1 3 391.456 3.711 20 0 GHADHM Cn1cc(Oc2ccccc2C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cn1 ZINC000513770384 847039302 /nfs/dbraw/zinc/03/93/02/847039302.db2.gz YWRLQGNHYUVPHF-UHFFFAOYSA-N -1 3 395.369 3.555 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(SC)cc1 ZINC000582390350 847070499 /nfs/dbraw/zinc/07/04/99/847070499.db2.gz DUPHOWGBBHZQBG-INIZCTEOSA-N -1 3 379.865 3.802 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(C)s1 ZINC000414454540 847173178 /nfs/dbraw/zinc/17/31/78/847173178.db2.gz DFUVBWVGDSFLEX-UHFFFAOYSA-N -1 3 393.408 3.804 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(C)c1 ZINC000501819612 847206467 /nfs/dbraw/zinc/20/64/67/847206467.db2.gz HKZMPQUGFITDOK-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870115 847226284 /nfs/dbraw/zinc/22/62/84/847226284.db2.gz LUDIOSPPRHKMSF-OAHLLOKOSA-N -1 3 382.382 3.961 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000731631542 861772867 /nfs/dbraw/zinc/77/28/67/861772867.db2.gz UXJAYCOENZOIMR-IBGZPJMESA-N -1 3 382.366 3.772 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3ccc(Br)cc3)n[n-]2)o1 ZINC000501861222 847286994 /nfs/dbraw/zinc/28/69/94/847286994.db2.gz ILRKPBICHOSYNQ-SNVBAGLBSA-N -1 3 375.226 3.878 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000273268337 847288686 /nfs/dbraw/zinc/28/86/86/847288686.db2.gz FZRXNFZVQXPYPC-QGZVFWFLSA-N -1 3 397.456 3.980 20 0 GHADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000273274569 847289420 /nfs/dbraw/zinc/28/94/20/847289420.db2.gz RQNRUVZQVGZNGY-UHFFFAOYSA-N -1 3 380.275 3.787 20 0 GHADHM CC[C@@H](CS(=O)(=O)[N-]C1(c2noc(C3CCCC3)n2)CCCCCC1)OC ZINC000420704285 847385812 /nfs/dbraw/zinc/38/58/12/847385812.db2.gz VQORSOAFJXSSRB-INIZCTEOSA-N -1 3 399.557 3.621 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccccc1Cl)CC1CC1 ZINC000502107376 847487954 /nfs/dbraw/zinc/48/79/54/847487954.db2.gz FZCLEYWTAVHKDC-UHFFFAOYSA-N -1 3 387.793 3.599 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)c1 ZINC000502171922 847553133 /nfs/dbraw/zinc/55/31/33/847553133.db2.gz IJHHABZQZTVNAD-UHFFFAOYSA-N -1 3 379.503 3.539 20 0 GHADHM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C3CCCC3)cc2)C1=O ZINC000414654741 847582439 /nfs/dbraw/zinc/58/24/39/847582439.db2.gz IVIYRXVDEDRTRJ-YADHBBJMSA-N -1 3 392.499 3.861 20 0 GHADHM COc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc(OC)c1C(C)C ZINC001299812769 847686600 /nfs/dbraw/zinc/68/66/00/847686600.db2.gz HEWSRVWFEFFEBP-UHFFFAOYSA-N -1 3 389.452 3.758 20 0 GHADHM COc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc(OC)c1C(C)C ZINC001299812769 847686608 /nfs/dbraw/zinc/68/66/08/847686608.db2.gz HEWSRVWFEFFEBP-UHFFFAOYSA-N -1 3 389.452 3.758 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(Br)c(F)c2)c([O-])c1 ZINC000503485307 847741132 /nfs/dbraw/zinc/74/11/32/847741132.db2.gz XRDBPHJZSZWKRJ-UHFFFAOYSA-N -1 3 396.212 3.652 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000582605862 847746966 /nfs/dbraw/zinc/74/69/66/847746966.db2.gz WKKSGESNWIXRFT-ZYOFANERSA-N -1 3 394.515 3.615 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000503572383 847807150 /nfs/dbraw/zinc/80/71/50/847807150.db2.gz OJUPZVMQQVGBGV-DUQGCJEPSA-N -1 3 399.516 3.551 20 0 GHADHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(-c2ncc(C)o2)c1 ZINC000421152161 847815756 /nfs/dbraw/zinc/81/57/56/847815756.db2.gz KJAOPVVWMHNCNN-LJQANCHMSA-N -1 3 386.473 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccncc3C)cc2)cc1 ZINC000472243848 848097695 /nfs/dbraw/zinc/09/76/95/848097695.db2.gz RWXDWZUWNDZFGV-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM C[C@@H](CN(C)C(=O)N=c1cc2ccccn2[n-]1)Oc1ccc(Cl)c(Cl)c1 ZINC000548763650 848260830 /nfs/dbraw/zinc/26/08/30/848260830.db2.gz VDIXHTGFLWKDSE-LBPRGKRZSA-N -1 3 393.274 3.994 20 0 GHADHM COc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000061058704 848271067 /nfs/dbraw/zinc/27/10/67/848271067.db2.gz OSYRCRWBCQTCCP-AWEZNQCLSA-N -1 3 397.500 3.530 20 0 GHADHM Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)no1 ZINC000179988463 861887683 /nfs/dbraw/zinc/88/76/83/861887683.db2.gz ZKMHSGYNGHASAY-QGZVFWFLSA-N -1 3 391.880 3.716 20 0 GHADHM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582794802 848398777 /nfs/dbraw/zinc/39/87/77/848398777.db2.gz IDQWJAOHNZFWTI-QGZVFWFLSA-N -1 3 387.867 3.611 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000582811667 848442668 /nfs/dbraw/zinc/44/26/68/848442668.db2.gz TXCIQBKGJHESIF-VQTJNVASSA-N -1 3 391.489 3.568 20 0 GHADHM Cc1ccc([C@H](CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)C(=O)[O-])cc1 ZINC000899827274 861925599 /nfs/dbraw/zinc/92/55/99/861925599.db2.gz JNDVJWVEJDXZRA-CZTZKLFOSA-N -1 3 392.499 3.696 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]4CCC[C@H]43)cs2)c1 ZINC000180074740 861939243 /nfs/dbraw/zinc/93/92/43/861939243.db2.gz NUGYSKHXMGECLW-WMLDXEAASA-N -1 3 399.516 3.743 20 0 GHADHM O=C(Nc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1)c1cccs1 ZINC000431512475 848821212 /nfs/dbraw/zinc/82/12/12/848821212.db2.gz PGWWIJCRIXVMIO-UHFFFAOYSA-N -1 3 381.392 3.663 20 0 GHADHM COc1ccccc1[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccn1 ZINC000153875844 849086139 /nfs/dbraw/zinc/08/61/39/849086139.db2.gz VHQWJTFCVBPMDU-HXUWFJFHSA-N -1 3 381.407 3.524 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C)C(C)(C)C3)nc(=O)c2c1C ZINC000583114509 849094012 /nfs/dbraw/zinc/09/40/12/849094012.db2.gz PIDWPIOAUWIUGT-AAEUAGOBSA-N -1 3 391.537 3.899 20 0 GHADHM CC(C)c1ocnc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000731963816 861982522 /nfs/dbraw/zinc/98/25/22/861982522.db2.gz HOPQJMSRICGGTQ-UHFFFAOYSA-N -1 3 376.214 3.598 20 0 GHADHM CC/C(=C\C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)c1cccc(Cl)c1 ZINC001269485683 849865967 /nfs/dbraw/zinc/86/59/67/849865967.db2.gz ACVOZWIGIXQWOS-PKNBQFBNSA-N -1 3 390.823 3.673 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)nnn1-c1ccccc1Cl ZINC000504472898 850081514 /nfs/dbraw/zinc/08/15/14/850081514.db2.gz BAOHBFWOTUVKRH-UHFFFAOYSA-N -1 3 376.873 3.531 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC(C)(C)c2ccccn2)s1 ZINC000908541728 850172094 /nfs/dbraw/zinc/17/20/94/850172094.db2.gz VPGHPEXFOZYAMF-UHFFFAOYSA-N -1 3 376.482 3.593 20 0 GHADHM CCc1noc(-c2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c(Cl)c2)n1 ZINC000514737297 850218933 /nfs/dbraw/zinc/21/89/33/850218933.db2.gz AFWMDOMZSLHEBA-UHFFFAOYSA-N -1 3 385.811 3.578 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c(Cl)c1 ZINC000506654815 850291858 /nfs/dbraw/zinc/29/18/58/850291858.db2.gz QGTONSBXHIBKTB-UHFFFAOYSA-N -1 3 385.873 3.526 20 0 GHADHM CC(C)n1cncc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000425321987 850319050 /nfs/dbraw/zinc/31/90/50/850319050.db2.gz GFVHWSQFXJUFMZ-UHFFFAOYSA-N -1 3 398.532 3.897 20 0 GHADHM CC1CCN([C@@H](CNC(=O)N2CCCCC[C@@H]2C(=O)[O-])c2cccs2)CC1 ZINC000908749219 850321186 /nfs/dbraw/zinc/32/11/86/850321186.db2.gz NYOPFVNDPLKCMW-SJORKVTESA-N -1 3 393.553 3.560 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2n1CC(F)(F)F ZINC000426473896 850328024 /nfs/dbraw/zinc/32/80/24/850328024.db2.gz YTJCOESDCPKBQD-UHFFFAOYSA-N -1 3 375.310 3.834 20 0 GHADHM CCC1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)(C(=O)[O-])CC1 ZINC000908752911 850330394 /nfs/dbraw/zinc/33/03/94/850330394.db2.gz SQAJCPRJVIFMOI-NGEICVOHSA-N -1 3 393.553 3.608 20 0 GHADHM CCC1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)(C(=O)[O-])CC1 ZINC000908753849 850331136 /nfs/dbraw/zinc/33/11/36/850331136.db2.gz YDMPVRMDNZHKKB-OZWAEMERSA-N -1 3 387.524 3.546 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)N(C)C)cc1 ZINC000908755489 850332366 /nfs/dbraw/zinc/33/23/66/850332366.db2.gz YJOITCWIRUPNOR-UWJYYQICSA-N -1 3 397.519 3.709 20 0 GHADHM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000425329758 850347027 /nfs/dbraw/zinc/34/70/27/850347027.db2.gz WQJAKVBWFAVCJF-UHFFFAOYSA-N -1 3 395.425 3.842 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000732194163 862119123 /nfs/dbraw/zinc/11/91/23/862119123.db2.gz BECXTYXAONUWPM-UHFFFAOYSA-N -1 3 377.824 3.518 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])C1 ZINC000908885250 850454316 /nfs/dbraw/zinc/45/43/16/850454316.db2.gz VGHHWXBZASPRKX-LVCYWYKZSA-N -1 3 395.503 3.507 20 0 GHADHM Cc1ccc([C@H](CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)N2CCCC2)cc1 ZINC000908899656 850465888 /nfs/dbraw/zinc/46/58/88/850465888.db2.gz XFRSATUTZWWEAZ-IBGZPJMESA-N -1 3 387.524 3.561 20 0 GHADHM CCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000043755597 850490666 /nfs/dbraw/zinc/49/06/66/850490666.db2.gz GTJKQGLNGUQUSI-UHFFFAOYSA-N -1 3 378.469 3.717 20 0 GHADHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435437036 850526417 /nfs/dbraw/zinc/52/64/17/850526417.db2.gz IJLXOXVBAJBFSL-OAHLLOKOSA-N -1 3 392.279 3.707 20 0 GHADHM CC[C@H](CNC(=O)N[N-]C(=O)c1ccccc1Br)c1ccccc1 ZINC000043793308 850580059 /nfs/dbraw/zinc/58/00/59/850580059.db2.gz CVHWPFLJEWEVKO-CYBMUJFWSA-N -1 3 390.281 3.587 20 0 GHADHM COc1ccc(OCc2nc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000424629101 850582042 /nfs/dbraw/zinc/58/20/42/850582042.db2.gz XGSFROLHMNUMCX-UGSOOPFHSA-N -1 3 378.494 3.566 20 0 GHADHM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000909224172 850645721 /nfs/dbraw/zinc/64/57/21/850645721.db2.gz GYOXWDQQMJLSNI-GOSISDBHSA-N -1 3 376.522 3.740 20 0 GHADHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)c1 ZINC000506729872 850648144 /nfs/dbraw/zinc/64/81/44/850648144.db2.gz JPXIVEGUQJEXBS-OAHLLOKOSA-N -1 3 391.489 3.770 20 0 GHADHM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000909835727 850816441 /nfs/dbraw/zinc/81/64/41/850816441.db2.gz UOPKTHDWTQEAGU-MAUKXSAKSA-N -1 3 384.451 3.865 20 0 GHADHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000519307370 850893354 /nfs/dbraw/zinc/89/33/54/850893354.db2.gz IBMYXLFZVWCACB-LBPRGKRZSA-N -1 3 398.868 3.556 20 0 GHADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@@H](CC)c1ccccc1 ZINC000434270905 850954507 /nfs/dbraw/zinc/95/45/07/850954507.db2.gz SYXQGBYPPFJUIY-SFHVURJKSA-N -1 3 392.521 3.890 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1 ZINC000434347765 851001259 /nfs/dbraw/zinc/00/12/59/851001259.db2.gz BHQFXLNYIROJQZ-GTNSWQLSSA-N -1 3 398.912 3.667 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)c(=O)[n-]1 ZINC000434365652 851037449 /nfs/dbraw/zinc/03/74/49/851037449.db2.gz YAMLYUZJEJJGET-SNVBAGLBSA-N -1 3 380.275 3.794 20 0 GHADHM COc1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc(OC)c1[O-] ZINC000513959007 851045140 /nfs/dbraw/zinc/04/51/40/851045140.db2.gz CMELEYAMHPEMOY-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000519469737 851094123 /nfs/dbraw/zinc/09/41/23/851094123.db2.gz BVGOQKFDKSFSHV-IBGZPJMESA-N -1 3 395.846 3.541 20 0 GHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000729438049 851150432 /nfs/dbraw/zinc/15/04/32/851150432.db2.gz AJPRBWYBTOUEKY-UONOGXRCSA-N -1 3 398.544 3.942 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CC1(C)C ZINC000488115094 851179126 /nfs/dbraw/zinc/17/91/26/851179126.db2.gz GBQAHUISIBDJKI-AWEZNQCLSA-N -1 3 390.480 3.711 20 0 GHADHM CCn1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c(C(F)(F)F)n1 ZINC000436161600 851274470 /nfs/dbraw/zinc/27/44/70/851274470.db2.gz LHTQDMVSYZTDPR-WAYWQWQTSA-N -1 3 383.355 3.789 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000436165096 851279347 /nfs/dbraw/zinc/27/93/47/851279347.db2.gz MYNKXRSEAWSWRZ-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1cccnc1 ZINC000443930516 862225766 /nfs/dbraw/zinc/22/57/66/862225766.db2.gz VJVCMNIATYMTOO-QGZVFWFLSA-N -1 3 398.260 3.663 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000515639604 851284012 /nfs/dbraw/zinc/28/40/12/851284012.db2.gz HWTXWFHHJWPEFA-CYBMUJFWSA-N -1 3 397.928 3.994 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000436185155 851291807 /nfs/dbraw/zinc/29/18/07/851291807.db2.gz WAKOPMCHRQCGPC-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000434630112 851362428 /nfs/dbraw/zinc/36/24/28/851362428.db2.gz KBNYMBAOTRDZKL-UHFFFAOYSA-N -1 3 383.853 3.537 20 0 GHADHM O=C(NCc1ncccc1[O-])C1(c2cccc(Br)c2)CCCC1 ZINC000473647049 851381107 /nfs/dbraw/zinc/38/11/07/851381107.db2.gz YRZRCHTVLLNWCI-UHFFFAOYSA-N -1 3 375.266 3.678 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000436328471 851470086 /nfs/dbraw/zinc/47/00/86/851470086.db2.gz AFBQAVHWBBEPMX-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000436328471 851470093 /nfs/dbraw/zinc/47/00/93/851470093.db2.gz AFBQAVHWBBEPMX-UHFFFAOYSA-N -1 3 391.328 3.695 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000732394605 862259282 /nfs/dbraw/zinc/25/92/82/862259282.db2.gz QIAJRWOTNVEGKN-FQEVSTJZSA-N -1 3 396.830 3.503 20 0 GHADHM O=C(CCCC(=O)Nc1cc(Br)ccc1[O-])Nc1ccccc1 ZINC001143560218 851616915 /nfs/dbraw/zinc/61/69/15/851616915.db2.gz ZOWZJWPAUCBLDU-UHFFFAOYSA-N -1 3 377.238 3.902 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000911253317 851662088 /nfs/dbraw/zinc/66/20/88/851662088.db2.gz SOBSULXXGDQQIN-QAPCUYQASA-N -1 3 384.451 3.822 20 0 GHADHM CC(C)COc1ncccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488679229 851702936 /nfs/dbraw/zinc/70/29/36/851702936.db2.gz WZRPDJPNXITQIE-UHFFFAOYSA-N -1 3 379.254 3.515 20 0 GHADHM CC(C)N1CCN(c2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)c2)CC1 ZINC000911552226 851784147 /nfs/dbraw/zinc/78/41/47/851784147.db2.gz FEOLHJLLHBDWAF-UHFFFAOYSA-N -1 3 399.535 3.581 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N2CCCC2)cc1 ZINC000488821200 851799349 /nfs/dbraw/zinc/79/93/49/851799349.db2.gz GBRDHDHKURJOMN-GOSISDBHSA-N -1 3 396.915 3.903 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1Cl ZINC000488822140 851800151 /nfs/dbraw/zinc/80/01/51/851800151.db2.gz KHJORCBURBYDIT-KRWDZBQOSA-N -1 3 382.888 3.595 20 0 GHADHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)s3)c2)CC1 ZINC000473768538 851872355 /nfs/dbraw/zinc/87/23/55/851872355.db2.gz WHXAQJNUVWFVRU-UHFFFAOYSA-N -1 3 399.969 3.653 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000488948681 851881701 /nfs/dbraw/zinc/88/17/01/851881701.db2.gz UKAWLTKUGGTVRK-UHFFFAOYSA-N -1 3 391.361 3.994 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2ccc(Br)cc2)CC1 ZINC000436493168 851969282 /nfs/dbraw/zinc/96/92/82/851969282.db2.gz PBLAIQUZRKDECP-UHFFFAOYSA-N -1 3 376.250 3.880 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1Cl ZINC000760633709 851990835 /nfs/dbraw/zinc/99/08/35/851990835.db2.gz OIFXQVUPQXXJBG-INIZCTEOSA-N -1 3 394.283 3.851 20 0 GHADHM CC(C)(C(N)=O)c1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436525414 852015160 /nfs/dbraw/zinc/01/51/60/852015160.db2.gz ADPROVYXBWOLDX-UHFFFAOYSA-N -1 3 388.467 3.998 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000111994913 852015314 /nfs/dbraw/zinc/01/53/14/852015314.db2.gz QJFDSSHZDJRJDG-OAHLLOKOSA-N -1 3 392.546 3.603 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436526429 852015991 /nfs/dbraw/zinc/01/59/91/852015991.db2.gz DVBIIJVBQBFWOH-UHFFFAOYSA-N -1 3 397.475 3.606 20 0 GHADHM COC(=O)[C@H]1CC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436526186 852017390 /nfs/dbraw/zinc/01/73/90/852017390.db2.gz PWNJSKQPODPAOB-OLZOCXBDSA-N -1 3 382.441 3.807 20 0 GHADHM COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436547749 852033596 /nfs/dbraw/zinc/03/35/96/852033596.db2.gz YFADBLOUTIQKJH-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM O=C([O-])c1ccnc(N2CCC(NCc3csc(-c4ccccc4)n3)CC2)c1 ZINC000426669991 852041080 /nfs/dbraw/zinc/04/10/80/852041080.db2.gz POEPOUQLMGJDLO-UHFFFAOYSA-N -1 3 394.500 3.662 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436557248 852061486 /nfs/dbraw/zinc/06/14/86/852061486.db2.gz NHOSFZPAVZSSQM-FPOVZHCZSA-N -1 3 380.488 3.758 20 0 GHADHM Cn1c(=O)oc2cc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])ccc21 ZINC000436564887 852067854 /nfs/dbraw/zinc/06/78/54/852067854.db2.gz IDORMURMFFILBO-UHFFFAOYSA-N -1 3 376.368 3.882 20 0 GHADHM C[C@H](N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1)C(F)(F)F ZINC000436571300 852074198 /nfs/dbraw/zinc/07/41/98/852074198.db2.gz CKSCFFYCIPNKGP-AWEZNQCLSA-N -1 3 394.393 3.893 20 0 GHADHM CO[C@H](C)c1noc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436573810 852076644 /nfs/dbraw/zinc/07/66/44/852076644.db2.gz IJRKNTBIVHJKRQ-OAHLLOKOSA-N -1 3 395.459 3.540 20 0 GHADHM O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436579187 852087549 /nfs/dbraw/zinc/08/75/49/852087549.db2.gz COHZQUKMZJIKIU-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM CC[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)C1CCC(C)CC1 ZINC000436618555 852098865 /nfs/dbraw/zinc/09/88/65/852098865.db2.gz SFONHSHFELDMDG-TVPLGVNVSA-N -1 3 386.536 3.966 20 0 GHADHM COCCN(Cc1sccc1Br)C(=O)c1ccc(C)cc1[O-] ZINC000436599331 852099574 /nfs/dbraw/zinc/09/95/74/852099574.db2.gz CJBMXEWIVQTXEV-UHFFFAOYSA-N -1 3 384.295 3.813 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c([O-])c1C ZINC000436601162 852102226 /nfs/dbraw/zinc/10/22/26/852102226.db2.gz BAPIYBOPXFNDIT-UHFFFAOYSA-N -1 3 389.455 3.972 20 0 GHADHM COC(=O)CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436605181 852105870 /nfs/dbraw/zinc/10/58/70/852105870.db2.gz FLPZQEYAFNYUBA-UHFFFAOYSA-N -1 3 381.472 3.593 20 0 GHADHM Cc1noc([C@@H]2CCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)n1 ZINC000436615786 852115623 /nfs/dbraw/zinc/11/56/23/852115623.db2.gz GXNQVWANTNTKCD-LJQANCHMSA-N -1 3 391.471 3.889 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccc(OC)cc3)c2)n1 ZINC000044197307 852124716 /nfs/dbraw/zinc/12/47/16/852124716.db2.gz SXCSZGQSPABEJC-UHFFFAOYSA-N -1 3 380.473 3.817 20 0 GHADHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1c([O-])cccc1O ZINC000436648891 852158727 /nfs/dbraw/zinc/15/87/27/852158727.db2.gz SLDULZDLZCJSLW-UHFFFAOYSA-N -1 3 379.412 3.946 20 0 GHADHM COc1cc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc(OC)c1[O-] ZINC000436687358 852197470 /nfs/dbraw/zinc/19/74/70/852197470.db2.gz HPOLCTNGJMYWFF-UHFFFAOYSA-N -1 3 397.362 3.844 20 0 GHADHM CCc1ccc(CC)c(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000436691711 852201549 /nfs/dbraw/zinc/20/15/49/852201549.db2.gz KDTQJSDSOJDOKH-UHFFFAOYSA-N -1 3 376.460 3.509 20 0 GHADHM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436708534 852204295 /nfs/dbraw/zinc/20/42/95/852204295.db2.gz SDFLEFWAAHIKMI-INIZCTEOSA-N -1 3 382.504 3.553 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c([O-])c1 ZINC000436706746 852224175 /nfs/dbraw/zinc/22/41/75/852224175.db2.gz NHXAJNZVYFRZCD-UHFFFAOYSA-N -1 3 396.443 3.501 20 0 GHADHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c([O-])c1 ZINC000436715131 852235938 /nfs/dbraw/zinc/23/59/38/852235938.db2.gz IAWLAEKZXZHFQH-UHFFFAOYSA-N -1 3 387.524 3.752 20 0 GHADHM Cc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)nnn1Cc1ccccc1F ZINC000436715844 852238291 /nfs/dbraw/zinc/23/82/91/852238291.db2.gz YURULLHOOKKJPG-UHFFFAOYSA-N -1 3 380.423 3.611 20 0 GHADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c([O-])c1 ZINC000436717049 852239376 /nfs/dbraw/zinc/23/93/76/852239376.db2.gz VTVAJDGUDOVVOL-CQSZACIVSA-N -1 3 389.293 3.719 20 0 GHADHM CS(=O)(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436757755 852277414 /nfs/dbraw/zinc/27/74/14/852277414.db2.gz WTBLBQJFIQPMOP-UHFFFAOYSA-N -1 3 397.452 3.627 20 0 GHADHM CC[C@H](C)Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436749044 852289059 /nfs/dbraw/zinc/28/90/59/852289059.db2.gz RNGLHPDCASEOOX-INIZCTEOSA-N -1 3 397.475 3.559 20 0 GHADHM O=C([O-])[C@H](CNCc1csc(-c2ccccn2)n1)Cc1ccccc1Cl ZINC000426703310 852289348 /nfs/dbraw/zinc/28/93/48/852289348.db2.gz GCGWZZFNCJUAHP-AWEZNQCLSA-N -1 3 387.892 3.892 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c([O-])c2O1 ZINC000436753536 852298294 /nfs/dbraw/zinc/29/82/94/852298294.db2.gz DKQLVQFBQHEXOV-UHFFFAOYSA-N -1 3 380.444 3.594 20 0 GHADHM CN(C)C(=O)c1cccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436753712 852298487 /nfs/dbraw/zinc/29/84/87/852298487.db2.gz FQPIIYJAHVTFKP-UHFFFAOYSA-N -1 3 390.439 3.816 20 0 GHADHM Cc1nc(COc2ccc(CNCc3ccccc3CC(=O)[O-])cc2)cs1 ZINC000426717098 852302023 /nfs/dbraw/zinc/30/20/23/852302023.db2.gz ZPVFJRYTEJTHSB-UHFFFAOYSA-N -1 3 382.485 3.947 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436774663 852307572 /nfs/dbraw/zinc/30/75/72/852307572.db2.gz BLUJPPGLOCAMSW-INIZCTEOSA-N -1 3 395.503 3.873 20 0 GHADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(Cl)s1 ZINC000436774279 852308187 /nfs/dbraw/zinc/30/81/87/852308187.db2.gz MNDGDHBXEGVGND-GFCCVEGCSA-N -1 3 392.908 3.632 20 0 GHADHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc(Cl)cc1Cl ZINC000426731063 852323487 /nfs/dbraw/zinc/32/34/87/852323487.db2.gz CKSKKWSBAYMVDM-KRWDZBQOSA-N -1 3 379.287 3.989 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1 ZINC000436788765 852342898 /nfs/dbraw/zinc/34/28/98/852342898.db2.gz AZBFONYQBXYHHM-OAHLLOKOSA-N -1 3 399.466 3.905 20 0 GHADHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426745222 852351713 /nfs/dbraw/zinc/35/17/13/852351713.db2.gz ZMDJGXFLCVOHHB-QGZVFWFLSA-N -1 3 396.409 3.994 20 0 GHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OCc1ccccc1 ZINC000426773126 852376422 /nfs/dbraw/zinc/37/64/22/852376422.db2.gz IKKUDBUEUYGRCL-JOCHJYFZSA-N -1 3 393.439 3.895 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c([O-])c1 ZINC000436834511 852385344 /nfs/dbraw/zinc/38/53/44/852385344.db2.gz POORYRVIGZADTJ-HHHXNRCGSA-N -1 3 387.501 3.635 20 0 GHADHM O=C([O-])[C@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000426795267 852404110 /nfs/dbraw/zinc/40/41/10/852404110.db2.gz XHWUOQIDPIRSEX-CQSZACIVSA-N -1 3 398.278 3.587 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccccc1 ZINC000506242006 852434904 /nfs/dbraw/zinc/43/49/04/852434904.db2.gz ZCUROMGWIHUFBI-LLVKDONJSA-N -1 3 377.359 3.590 20 0 GHADHM O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517798016 852437197 /nfs/dbraw/zinc/43/71/97/852437197.db2.gz GXBJMEUXNZJWRM-KRWDZBQOSA-N -1 3 396.855 3.805 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H]3CC[C@@H](C)C3)cs2)c1 ZINC000436877159 852442202 /nfs/dbraw/zinc/44/22/02/852442202.db2.gz NCFSNTGYPARCAX-IUODEOHRSA-N -1 3 387.505 3.599 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436890075 852462436 /nfs/dbraw/zinc/46/24/36/852462436.db2.gz CBAQOSIDLVJLEW-ARJAWSKDSA-N -1 3 392.499 3.904 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(I)cc3)no2)c1 ZINC000436907626 852473419 /nfs/dbraw/zinc/47/34/19/852473419.db2.gz GCSFHWCCUIVBIP-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc(C)cc(C)c2)c1 ZINC000436900118 852485477 /nfs/dbraw/zinc/48/54/77/852485477.db2.gz GUUJUJBPFWTBCS-UHFFFAOYSA-N -1 3 393.443 3.830 20 0 GHADHM CCN(CC1CCC1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436921764 852503154 /nfs/dbraw/zinc/50/31/54/852503154.db2.gz UVJCFTQHJWURCU-NRFANRHFSA-N -1 3 380.488 3.902 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436937005 852519118 /nfs/dbraw/zinc/51/91/18/852519118.db2.gz WDMDPGUXPUHYJP-UHFFFAOYSA-N -1 3 385.338 3.697 20 0 GHADHM CN(C)c1cnc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cn1 ZINC000436948026 852529826 /nfs/dbraw/zinc/52/98/26/852529826.db2.gz GCUIHFLAFDFVQM-UHFFFAOYSA-N -1 3 389.415 3.544 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)c1[O-] ZINC000436949009 852530553 /nfs/dbraw/zinc/53/05/53/852530553.db2.gz LEKDMYFGDUZRLQ-ZDUSSCGKSA-N -1 3 379.416 3.742 20 0 GHADHM COc1cccc2c(C(=O)Nc3cc(C)cc(Br)c3[O-])n[nH]c21 ZINC000436971585 852555137 /nfs/dbraw/zinc/55/51/37/852555137.db2.gz KCQILLDPJZMQKF-UHFFFAOYSA-N -1 3 376.210 3.600 20 0 GHADHM CCCCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000436974596 852561388 /nfs/dbraw/zinc/56/13/88/852561388.db2.gz ZSNCPHXRGKNOGI-UHFFFAOYSA-N -1 3 389.448 3.527 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2CCC(C(C)C)CC2)c1 ZINC000436975559 852562516 /nfs/dbraw/zinc/56/25/16/852562516.db2.gz KWGRQDWUVGVZJV-UHFFFAOYSA-N -1 3 385.464 3.886 20 0 GHADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436970326 852572704 /nfs/dbraw/zinc/57/27/04/852572704.db2.gz DQIDJYNJIGFCFI-UHFFFAOYSA-N -1 3 376.478 3.803 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)CCCN(C)Cc3ccco3)c12 ZINC000516473886 852604244 /nfs/dbraw/zinc/60/42/44/852604244.db2.gz ZKLLHGRIQWVBMO-UHFFFAOYSA-N -1 3 388.493 3.558 20 0 GHADHM COC(=O)c1cccc([N-]C(=O)c2noc(-c3ccccc3)n2)c1OC(C)C ZINC000427010097 852611486 /nfs/dbraw/zinc/61/14/86/852611486.db2.gz VCLCLCUFJUZDBB-UHFFFAOYSA-N -1 3 381.388 3.563 20 0 GHADHM COc1cccc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)c1[O-] ZINC000437001948 852618672 /nfs/dbraw/zinc/61/86/72/852618672.db2.gz RIJRABQBZOTLHR-UHFFFAOYSA-N -1 3 376.416 3.844 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000507151665 852618793 /nfs/dbraw/zinc/61/87/93/852618793.db2.gz JEXAIFPHEXYOHX-UHFFFAOYSA-N -1 3 377.425 3.913 20 0 GHADHM CNC(=O)[C@@H]1CCCc2sc(/C=C\c3ccc([O-])c(Br)c3)nc21 ZINC000550004570 852663935 /nfs/dbraw/zinc/66/39/35/852663935.db2.gz HVFLGKCCSGXNGX-BPOWMSRESA-N -1 3 393.306 3.948 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)c(C)c1 ZINC000518079082 852814116 /nfs/dbraw/zinc/81/41/16/852814116.db2.gz ONHKLXKMTNSKAA-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM COC(=O)[C@@H](CNC(=O)Nc1ccccc1C(F)F)Cc1ccc([O-])c(F)c1 ZINC000425763202 852942241 /nfs/dbraw/zinc/94/22/41/852942241.db2.gz RCWMVFIMAVFJIX-GFCCVEGCSA-N -1 3 396.365 3.622 20 0 GHADHM CCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000427298500 852948936 /nfs/dbraw/zinc/94/89/36/852948936.db2.gz CXRJFURKAOAVHQ-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000490465245 853024516 /nfs/dbraw/zinc/02/45/16/853024516.db2.gz ORXAPLHVJWYGJY-SNVBAGLBSA-N -1 3 391.923 3.606 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)OC ZINC000490557630 853102775 /nfs/dbraw/zinc/10/27/75/853102775.db2.gz QGHPMSSAOZLDBN-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1C ZINC000507635175 853130353 /nfs/dbraw/zinc/13/03/53/853130353.db2.gz IFQJPQSORJXRIZ-UHFFFAOYSA-N -1 3 389.473 3.857 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000439021720 853191645 /nfs/dbraw/zinc/19/16/45/853191645.db2.gz RKNXHHSAFNVMCC-UHFFFAOYSA-N -1 3 397.398 3.565 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000439018800 853207829 /nfs/dbraw/zinc/20/78/29/853207829.db2.gz JEGGTBFKOXAYEK-UHFFFAOYSA-N -1 3 380.423 3.875 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)c(F)c2)c1 ZINC000427530783 853209582 /nfs/dbraw/zinc/20/95/82/853209582.db2.gz LLYXUZCSQANLAB-UHFFFAOYSA-N -1 3 395.228 3.524 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2cscc2Br)c([O-])c1 ZINC000490793865 853266612 /nfs/dbraw/zinc/26/66/12/853266612.db2.gz MVWWZZJNYUFECB-UHFFFAOYSA-N -1 3 384.251 3.574 20 0 GHADHM COc1ccc(Cl)cc1NCCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000439146313 853342231 /nfs/dbraw/zinc/34/22/31/853342231.db2.gz LJLKGPIWOABBIV-UHFFFAOYSA-N -1 3 384.867 3.910 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cn(-c2ccccc2)nn1 ZINC000426294810 853370752 /nfs/dbraw/zinc/37/07/52/853370752.db2.gz LGKICYRKEMDZGL-UHFFFAOYSA-N -1 3 396.863 3.615 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c[n-]c12 ZINC000151459711 853458416 /nfs/dbraw/zinc/45/84/16/853458416.db2.gz ZOUULJNRHOKHRR-UHFFFAOYSA-N -1 3 398.394 3.886 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(-c4ccccc4)s3)nc21 ZINC000157795926 862466710 /nfs/dbraw/zinc/46/67/10/862466710.db2.gz YIVOSHWNHSXYEJ-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1F ZINC000517159325 853464175 /nfs/dbraw/zinc/46/41/75/853464175.db2.gz UOKFCJWPAKBODX-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000519826721 853516824 /nfs/dbraw/zinc/51/68/24/853516824.db2.gz MJORKHBJBZNXJY-YGRLFVJLSA-N -1 3 381.295 3.868 20 0 GHADHM Cc1noc(C)c1CN[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000623873498 862472827 /nfs/dbraw/zinc/47/28/27/862472827.db2.gz JLPWWACNLUWRQR-AWEZNQCLSA-N -1 3 385.489 3.943 20 0 GHADHM CNC(=O)Cc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000586749869 853520157 /nfs/dbraw/zinc/52/01/57/853520157.db2.gz MTJXQUWFKBHITM-UHFFFAOYSA-N -1 3 388.467 3.718 20 0 GHADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1cccs1 ZINC000586757514 853526145 /nfs/dbraw/zinc/52/61/45/853526145.db2.gz KVSQYQUZLKJFPN-GFCCVEGCSA-N -1 3 381.500 3.546 20 0 GHADHM CCCCc1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cs1 ZINC000518671251 853618155 /nfs/dbraw/zinc/61/81/55/853618155.db2.gz VYGXRFMVSXYTCP-UHFFFAOYSA-N -1 3 382.555 3.701 20 0 GHADHM CCCCc1nc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cs1 ZINC000518671251 853618159 /nfs/dbraw/zinc/61/81/59/853618159.db2.gz VYGXRFMVSXYTCP-UHFFFAOYSA-N -1 3 382.555 3.701 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(-c4ccc(C)o4)nc3C)nc21 ZINC000157809464 862488600 /nfs/dbraw/zinc/48/86/00/862488600.db2.gz KICVQPOXROXCKK-UHFFFAOYSA-N -1 3 396.428 3.935 20 0 GHADHM COc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc(OC)c1[O-] ZINC000416250852 853780290 /nfs/dbraw/zinc/78/02/90/853780290.db2.gz GSJKCMZVWNWMNB-OAHLLOKOSA-N -1 3 393.480 3.526 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccccc1-c1ncc2n1CCCC2 ZINC000571235985 853812918 /nfs/dbraw/zinc/81/29/18/853812918.db2.gz WJCMANZWALLHTJ-UHFFFAOYSA-N -1 3 385.464 3.967 20 0 GHADHM COc1ccc(/C=C/C(=O)NCc2ccc([O-])c(Br)c2)cc1OC ZINC000156558830 853859904 /nfs/dbraw/zinc/85/99/04/853859904.db2.gz VQNPVPHROSHWPG-VMPITWQZSA-N -1 3 392.249 3.502 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000029384124 862512452 /nfs/dbraw/zinc/51/24/52/862512452.db2.gz MHKOBKYTGKXJIB-UHFFFAOYSA-N -1 3 388.464 3.545 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2cc(Br)ccc2c1 ZINC000481920169 862516723 /nfs/dbraw/zinc/51/67/23/862516723.db2.gz TYVIXXRBONXSAS-UHFFFAOYSA-N -1 3 399.170 3.669 20 0 GHADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000732819448 862519605 /nfs/dbraw/zinc/51/96/05/862519605.db2.gz YJJMSIZIAZQMKJ-NSHDSACASA-N -1 3 398.278 3.739 20 0 GHADHM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000055631999 854046760 /nfs/dbraw/zinc/04/67/60/854046760.db2.gz UCKHDKYLPZJRSE-UHFFFAOYSA-N -1 3 378.450 3.701 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000055663538 854050635 /nfs/dbraw/zinc/05/06/35/854050635.db2.gz YHMKTPNTDOSLQB-UHFFFAOYSA-N -1 3 388.464 3.632 20 0 GHADHM CC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000520376526 854145403 /nfs/dbraw/zinc/14/54/03/854145403.db2.gz CPSQCFDBTJGVHB-OAHLLOKOSA-N -1 3 376.453 3.641 20 0 GHADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112638832 854280652 /nfs/dbraw/zinc/28/06/52/854280652.db2.gz AQLFUJZQXHLBCK-WYRIXSBYSA-N -1 3 397.272 3.954 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473936677 854368268 /nfs/dbraw/zinc/36/82/68/854368268.db2.gz KMBQSXJYKKBPEC-IAQYHMDHSA-N -1 3 389.926 3.773 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000051054674 854376348 /nfs/dbraw/zinc/37/63/48/854376348.db2.gz DZVNSUMSFDHNDR-CABCVRRESA-N -1 3 396.491 3.598 20 0 GHADHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC000623981427 862564482 /nfs/dbraw/zinc/56/44/82/862564482.db2.gz DMIXMTCGJKHPOX-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCC4)c(F)c3)ccc2O1 ZINC000481978072 862570314 /nfs/dbraw/zinc/57/03/14/862570314.db2.gz GZHGHBOOVDXGSI-LBPRGKRZSA-N -1 3 377.437 3.881 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000056176669 854505574 /nfs/dbraw/zinc/50/55/74/854505574.db2.gz BBRWLRHFHZWPHC-GFCCVEGCSA-N -1 3 398.525 3.763 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(Br)cs3)nc2)n1 ZINC000068667688 854607840 /nfs/dbraw/zinc/60/78/40/854607840.db2.gz XYSVVDRTFHAFHQ-UHFFFAOYSA-N -1 3 391.294 3.830 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2NC(C)C)[n-]1 ZINC000520437859 854612299 /nfs/dbraw/zinc/61/22/99/854612299.db2.gz PSUSZXFDHRNEFZ-UHFFFAOYSA-N -1 3 380.242 3.636 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000069257365 854660184 /nfs/dbraw/zinc/66/01/84/854660184.db2.gz ZJYGGSRGEWNCKF-UHFFFAOYSA-N -1 3 387.365 3.639 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000069257365 854660189 /nfs/dbraw/zinc/66/01/89/854660189.db2.gz ZJYGGSRGEWNCKF-UHFFFAOYSA-N -1 3 387.365 3.639 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166426 854710879 /nfs/dbraw/zinc/71/08/79/854710879.db2.gz CTWHBNODOODTKD-SECBINFHSA-N -1 3 392.290 3.898 20 0 GHADHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCC(F)(F)F ZINC000010316216 854756314 /nfs/dbraw/zinc/75/63/14/854756314.db2.gz SRIHNEINEMMURK-SSDOTTSWSA-N -1 3 380.392 3.580 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000617840084 854785300 /nfs/dbraw/zinc/78/53/00/854785300.db2.gz YELWOQVYFSDTGZ-HXUWFJFHSA-N -1 3 377.843 3.635 20 0 GHADHM O=S(=O)([N-]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccco1 ZINC000188822128 854953441 /nfs/dbraw/zinc/95/34/41/854953441.db2.gz HDWZCYRZMRFDST-UHFFFAOYSA-N -1 3 389.304 3.529 20 0 GHADHM CSc1nc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n[n-]1 ZINC000589693966 855110551 /nfs/dbraw/zinc/11/05/51/855110551.db2.gz AKCCHAQHQHZIOD-UHFFFAOYSA-N -1 3 395.366 3.985 20 0 GHADHM C[C@@H](CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)NC(=O)C1CCCCC1 ZINC000589695085 855111498 /nfs/dbraw/zinc/11/14/98/855111498.db2.gz WSZUPHUFEABVQX-ZDUSSCGKSA-N -1 3 388.899 3.566 20 0 GHADHM COCc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)s1 ZINC000189751094 855191097 /nfs/dbraw/zinc/19/10/97/855191097.db2.gz VCFKJDQQYDBQJN-UHFFFAOYSA-N -1 3 394.909 3.946 20 0 GHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000520475724 855214116 /nfs/dbraw/zinc/21/41/16/855214116.db2.gz BPPOPZJVRDTTHU-UHFFFAOYSA-N -1 3 378.215 3.541 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000590001063 855221654 /nfs/dbraw/zinc/22/16/54/855221654.db2.gz NWYDSIVGZVVFED-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000590001063 855221667 /nfs/dbraw/zinc/22/16/67/855221667.db2.gz NWYDSIVGZVVFED-UHFFFAOYSA-N -1 3 377.429 3.856 20 0 GHADHM O=C(CSCc1coc(-c2ccccc2)n1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558001 855475319 /nfs/dbraw/zinc/47/53/19/855475319.db2.gz KWFPXBILWILHSB-UHFFFAOYSA-N -1 3 380.429 3.795 20 0 GHADHM O=c1[n-]c(CN2CCC(OC[C@H]3CCCCO3)CC2)nc2c3ccccc3oc21 ZINC000330239379 862684241 /nfs/dbraw/zinc/68/42/41/862684241.db2.gz VNZAREKGHZTQPZ-MRXNPFEDSA-N -1 3 397.475 3.632 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000107703564 855521297 /nfs/dbraw/zinc/52/12/97/855521297.db2.gz MNWILXHCBGYPDC-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM O=S(=O)([N-]c1ccccc1Cl)c1cc(Br)cc2c1OCC2 ZINC000542728855 855577980 /nfs/dbraw/zinc/57/79/80/855577980.db2.gz UACZKTYLQVMBDN-UHFFFAOYSA-N -1 3 388.670 3.838 20 0 GHADHM Cc1sc2ncnc([N-]N=C3C(=O)Nc4c3c(Cl)ccc4F)c2c1C ZINC000045688368 855693146 /nfs/dbraw/zinc/69/31/46/855693146.db2.gz MRKAEVUOTOOZIS-UHFFFAOYSA-N -1 3 375.816 3.869 20 0 GHADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113168 862715275 /nfs/dbraw/zinc/71/52/75/862715275.db2.gz JYKDPLLOJXYCQU-CXAGYDPISA-N -1 3 399.292 3.929 20 0 GHADHM CCCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC000520607710 855779739 /nfs/dbraw/zinc/77/97/39/855779739.db2.gz IEBNKTAFTSNVIL-UHFFFAOYSA-N -1 3 375.494 3.599 20 0 GHADHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000614618783 855798525 /nfs/dbraw/zinc/79/85/25/855798525.db2.gz XJKGHYIKNMYIFK-UHFFFAOYSA-N -1 3 395.695 3.919 20 0 GHADHM CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)[C@H]1CCc2ccccc2C1 ZINC000482136590 862723221 /nfs/dbraw/zinc/72/32/21/862723221.db2.gz CDFHLVHGUAUUQM-INIZCTEOSA-N -1 3 399.292 3.540 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000542793503 855846839 /nfs/dbraw/zinc/84/68/39/855846839.db2.gz LWFCSCUWFFRVHU-UHFFFAOYSA-N -1 3 397.410 3.980 20 0 GHADHM CCOC(=O)c1c(C)c2ccccc2nc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000573123913 855853935 /nfs/dbraw/zinc/85/39/35/855853935.db2.gz QKXCOJFSWOPNCD-MRXNPFEDSA-N -1 3 384.476 3.939 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cnn(-c3ccccc3)c2C2CC2)[nH][n-]1 ZINC000591448327 855993289 /nfs/dbraw/zinc/99/32/89/855993289.db2.gz BGSSCKZIFXMIBA-UHFFFAOYSA-N -1 3 399.454 3.823 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cnc3c(F)cccc3c2)[n-]1 ZINC000895107612 856063471 /nfs/dbraw/zinc/06/34/71/856063471.db2.gz ZXKCFPSCGZKMCM-MRXNPFEDSA-N -1 3 385.443 3.546 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(Cl)c1 ZINC000485149694 856171817 /nfs/dbraw/zinc/17/18/17/856171817.db2.gz MIUCVBYMOMVAHS-UHFFFAOYSA-N -1 3 390.795 3.701 20 0 GHADHM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)c2)n1 ZINC000171704145 856238211 /nfs/dbraw/zinc/23/82/11/856238211.db2.gz IMZMWCXDZVGBOT-CYBMUJFWSA-N -1 3 381.457 3.576 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036744289 856294159 /nfs/dbraw/zinc/29/41/59/856294159.db2.gz LRVATLSWIUPHGY-UHFFFAOYSA-N -1 3 390.325 3.720 20 0 GHADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036744289 856294167 /nfs/dbraw/zinc/29/41/67/856294167.db2.gz LRVATLSWIUPHGY-UHFFFAOYSA-N -1 3 390.325 3.720 20 0 GHADHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3cc(-c4ccccc4)no3)sc2c1 ZINC000041748745 856322857 /nfs/dbraw/zinc/32/28/57/856322857.db2.gz VLSCMJDXKUPOBN-UHFFFAOYSA-N -1 3 399.453 3.607 20 0 GHADHM Cc1nc(C)c(Cc2nc(-c3ccccc3OCc3ccccc3)no2)c(=O)[n-]1 ZINC000109575847 856330208 /nfs/dbraw/zinc/33/02/08/856330208.db2.gz VIDAWWTWUAERHV-UHFFFAOYSA-N -1 3 388.427 3.607 20 0 GHADHM CC(C)CN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCCC1 ZINC000482187300 862785001 /nfs/dbraw/zinc/78/50/01/862785001.db2.gz ODYZBKVTRVFZBO-UHFFFAOYSA-N -1 3 379.302 3.951 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C(=O)N(C)C(C)C ZINC000195343292 856380235 /nfs/dbraw/zinc/38/02/35/856380235.db2.gz AQQGNOSNSDOAFV-UHFFFAOYSA-N -1 3 386.517 3.765 20 0 GHADHM CC(C)c1ccc(-c2noc(CO[N-]C(=O)CCOc3ccccc3)n2)cc1 ZINC000733193758 862792822 /nfs/dbraw/zinc/79/28/22/862792822.db2.gz YIZKJQFWJYTOHP-UHFFFAOYSA-N -1 3 381.432 3.877 20 0 GHADHM COc1cccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1OC(C)C ZINC000905747596 856501697 /nfs/dbraw/zinc/50/16/97/856501697.db2.gz BMMKGIXADWMXKJ-AWEZNQCLSA-N -1 3 376.478 3.627 20 0 GHADHM CCOc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(F)F ZINC000905750364 856505428 /nfs/dbraw/zinc/50/54/28/856505428.db2.gz QLSGFDDEQUTWPF-GFCCVEGCSA-N -1 3 398.431 3.831 20 0 GHADHM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000592006485 856532280 /nfs/dbraw/zinc/53/22/80/856532280.db2.gz DIQHDCAGSIRLCI-AWEZNQCLSA-N -1 3 397.456 3.702 20 0 GHADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)nn1-c1ccccc1 ZINC000605180166 862824340 /nfs/dbraw/zinc/82/43/40/862824340.db2.gz OYJRDCLSAWRTLJ-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3cc(F)cc(Br)c3)no1)OCO2 ZINC000436905696 856679364 /nfs/dbraw/zinc/67/93/64/856679364.db2.gz UDYBPLPBPWNUEO-UHFFFAOYSA-N -1 3 379.141 3.740 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCn3c4ccccc4nc32)s1 ZINC000905909838 856704875 /nfs/dbraw/zinc/70/48/75/856704875.db2.gz GPALNOAGUWVKHF-UHFFFAOYSA-N -1 3 385.449 3.500 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@H]1OCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000427809526 856753734 /nfs/dbraw/zinc/75/37/34/856753734.db2.gz VAGWMUYERGUFQO-DLBZAZTESA-N -1 3 385.407 3.520 20 0 GHADHM CC(C)(C)CCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001128860229 856869607 /nfs/dbraw/zinc/86/96/07/856869607.db2.gz IZZXTEQMNLIWIV-UHFFFAOYSA-N -1 3 395.352 3.604 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c(Cl)c1 ZINC000508085558 856881914 /nfs/dbraw/zinc/88/19/14/856881914.db2.gz PVVNMDVTHLALRJ-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000668527296 856885628 /nfs/dbraw/zinc/88/56/28/856885628.db2.gz FTGVUBUGNCSIPK-UHFFFAOYSA-N -1 3 396.310 3.550 20 0 GHADHM C[C@H](COc1cccc(F)c1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482258887 862849802 /nfs/dbraw/zinc/84/98/02/862849802.db2.gz DAGGUJROINNGDR-LLVKDONJSA-N -1 3 397.244 3.561 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000733318185 862856248 /nfs/dbraw/zinc/85/62/48/862856248.db2.gz ZGGPEVRRZPRQNM-GIPNMCIBSA-N -1 3 394.306 3.700 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(Sc4ccccc4)CCCC3)cc2n(C)c1=O ZINC000428015691 856996982 /nfs/dbraw/zinc/99/69/82/856996982.db2.gz TWCNHKHZPAOGRN-UHFFFAOYSA-N -1 3 397.500 3.626 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000592824126 857104801 /nfs/dbraw/zinc/10/48/01/857104801.db2.gz JNFHAAIFZPVVBX-UHFFFAOYSA-N -1 3 380.510 3.582 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(C(F)(F)F)n1 ZINC000675241833 857108236 /nfs/dbraw/zinc/10/82/36/857108236.db2.gz LUFJWALCKPAMOV-UHFFFAOYSA-N -1 3 380.775 3.704 20 0 GHADHM O=S(=O)([N-]C1CC=CC1)c1csc(-c2ccc(Br)cc2)n1 ZINC000675331211 857151370 /nfs/dbraw/zinc/15/13/70/857151370.db2.gz KVMYHKZFOOVWMA-UHFFFAOYSA-N -1 3 385.308 3.570 20 0 GHADHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(Br)s3)c[nH]c21 ZINC000485895487 857186661 /nfs/dbraw/zinc/18/66/61/857186661.db2.gz JNNXJRKNVLREJF-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cccnc3C(F)(F)F)CCCC2)n1 ZINC000672384286 857223416 /nfs/dbraw/zinc/22/34/16/857223416.db2.gz QFNBTFJNSUDDBL-UHFFFAOYSA-N -1 3 391.440 3.613 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)s1 ZINC000906934694 857381424 /nfs/dbraw/zinc/38/14/24/857381424.db2.gz BFWSCRHJRPOARL-STQMWFEESA-N -1 3 393.509 3.854 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000520912062 857398703 /nfs/dbraw/zinc/39/87/03/857398703.db2.gz SXEHNODLRXIVLT-HNNXBMFYSA-N -1 3 395.286 3.566 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1OC ZINC000060108239 857409620 /nfs/dbraw/zinc/40/96/20/857409620.db2.gz MQSRSMWAKCTMKI-AWEZNQCLSA-N -1 3 391.493 3.682 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000465982951 857463664 /nfs/dbraw/zinc/46/36/64/857463664.db2.gz NKQUWUHLAYESSB-AWEZNQCLSA-N -1 3 391.874 3.773 20 0 GHADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c([O-])c1 ZINC000190955510 857469503 /nfs/dbraw/zinc/46/95/03/857469503.db2.gz SLPCAZBEZYWMMZ-UHFFFAOYSA-N -1 3 390.443 3.924 20 0 GHADHM CC(C)c1ccc(CN2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000061206012 857503576 /nfs/dbraw/zinc/50/35/76/857503576.db2.gz TWOTYTZFWQAKPX-UHFFFAOYSA-N -1 3 389.499 3.610 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000465985783 857526833 /nfs/dbraw/zinc/52/68/33/857526833.db2.gz VCINHSTWVAMFIH-CQSZACIVSA-N -1 3 377.847 3.653 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000593539288 857617840 /nfs/dbraw/zinc/61/78/40/857617840.db2.gz WBMGTSMVYCYSCB-QWHCGFSZSA-N -1 3 398.297 3.529 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC000442240605 857644273 /nfs/dbraw/zinc/64/42/73/857644273.db2.gz NJQJSFGZTFPXTH-UHFFFAOYSA-N -1 3 389.477 3.649 20 0 GHADHM C[C@H](C1CC1)n1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC000907521938 857671931 /nfs/dbraw/zinc/67/19/31/857671931.db2.gz IFZYRIUKMDJKTD-SNVBAGLBSA-N -1 3 377.470 3.910 20 0 GHADHM CC(C)N(CCC(=O)[O-])Cc1ccc(I)cc1Cl ZINC000593747440 857712439 /nfs/dbraw/zinc/71/24/39/857712439.db2.gz ZWMYCVZFDMLQPP-UHFFFAOYSA-N -1 3 381.641 3.630 20 0 GHADHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000064479263 857712952 /nfs/dbraw/zinc/71/29/52/857712952.db2.gz PJLBABJBNXLRKH-UHFFFAOYSA-N -1 3 391.489 3.628 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000486427783 857725371 /nfs/dbraw/zinc/72/53/71/857725371.db2.gz JAJOQBZDJQVFRH-CYBMUJFWSA-N -1 3 393.256 3.993 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000030248905 857739040 /nfs/dbraw/zinc/73/90/40/857739040.db2.gz JMICHYLLYUNHBN-UHFFFAOYSA-N -1 3 384.517 3.555 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000593862705 857748566 /nfs/dbraw/zinc/74/85/66/857748566.db2.gz XRRAJDKTYPAIMR-AEFFLSMTSA-N -1 3 385.435 3.760 20 0 GHADHM CCCCc1nc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cs1 ZINC000733442614 862946376 /nfs/dbraw/zinc/94/63/76/862946376.db2.gz QYQBEPDXZMTSAA-MRXNPFEDSA-N -1 3 388.489 3.539 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C(C)(C)O1 ZINC000509218717 862946915 /nfs/dbraw/zinc/94/69/15/862946915.db2.gz PLBMTIIREZAXCI-LLVKDONJSA-N -1 3 396.734 3.727 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ccc(F)cc2)n1 ZINC000521249213 857770938 /nfs/dbraw/zinc/77/09/38/857770938.db2.gz QEGKWKITRYHOCM-UHFFFAOYSA-N -1 3 379.420 3.841 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c(C)c1 ZINC000065223705 857781507 /nfs/dbraw/zinc/78/15/07/857781507.db2.gz RHQDBHBPFKLHSN-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM O=C([O-])C1(NCc2csc(COc3ccccc3)n2)CCC(F)(F)CC1 ZINC000574412556 857791324 /nfs/dbraw/zinc/79/13/24/857791324.db2.gz CLCMVHJVDREUKE-UHFFFAOYSA-N -1 3 382.432 3.844 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)C2Cc3ccccc3C2)CCCCCC1 ZINC001212377984 857805618 /nfs/dbraw/zinc/80/56/18/857805618.db2.gz IEORAONBBIRFJH-UHFFFAOYSA-N -1 3 393.549 3.508 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 ZINC000113988991 857827338 /nfs/dbraw/zinc/82/73/38/857827338.db2.gz AFVXAWGTIOHTTI-UHFFFAOYSA-N -1 3 387.439 3.805 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000676387367 857848326 /nfs/dbraw/zinc/84/83/26/857848326.db2.gz NRSXRVQOESPSOC-UHFFFAOYSA-N -1 3 397.219 3.972 20 0 GHADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1cc(F)cc(Br)c1F ZINC000486551189 857850209 /nfs/dbraw/zinc/85/02/09/857850209.db2.gz RPVDDFUKXXYJKW-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000521446698 858006930 /nfs/dbraw/zinc/00/69/30/858006930.db2.gz KVQSZRPWRYTTPY-LJQANCHMSA-N -1 3 387.911 3.888 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccncc1 ZINC000674073064 862976941 /nfs/dbraw/zinc/97/69/41/862976941.db2.gz UMIPQNZSFHZZAN-GFCCVEGCSA-N -1 3 393.921 3.941 20 0 GHADHM O=S(=O)([N-]CCCCCOC1CCCCC1)c1cnccc1C(F)(F)F ZINC000442736450 858083068 /nfs/dbraw/zinc/08/30/68/858083068.db2.gz CESLQRBEGIQTHV-UHFFFAOYSA-N -1 3 394.459 3.898 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2ccccn2)c1)c1cnccc1C(F)(F)F ZINC000442755283 858096252 /nfs/dbraw/zinc/09/62/52/858096252.db2.gz XOYANQABQQGPNR-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](Cc2ccccc2)C1)c1cnccc1C(F)(F)F ZINC000442761052 858100582 /nfs/dbraw/zinc/10/05/82/858100582.db2.gz OTWKZSKFGHLCQU-HUUCEWRRSA-N -1 3 384.423 3.790 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cnccc1C(F)(F)F ZINC000442749270 858109298 /nfs/dbraw/zinc/10/92/98/858109298.db2.gz MFQGHXPIXRAQEZ-QPUJVOFHSA-N -1 3 394.777 3.727 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000442946324 858261829 /nfs/dbraw/zinc/26/18/29/858261829.db2.gz RWIYODDVDQCUCV-OAHLLOKOSA-N -1 3 377.359 3.725 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000521730276 858280183 /nfs/dbraw/zinc/28/01/83/858280183.db2.gz NLVHGWGRJLLQST-KOMQPUFPSA-N -1 3 390.480 3.935 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(C)C)c1cccs1 ZINC000443023531 858302016 /nfs/dbraw/zinc/30/20/16/858302016.db2.gz HBQJUKREIPIPOL-ZDUSSCGKSA-N -1 3 385.482 3.740 20 0 GHADHM COc1cc([C@H](C)NC(=O)NN=c2nc(C)cc(C)[n-]2)ccc1OC1CCCC1 ZINC000046669813 858319245 /nfs/dbraw/zinc/31/92/45/858319245.db2.gz KDXULYYAJSPGFX-HNNXBMFYSA-N -1 3 399.495 3.811 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000443033793 858323291 /nfs/dbraw/zinc/32/32/91/858323291.db2.gz BGHVTTORBFCBSG-QGZVFWFLSA-N -1 3 387.423 3.846 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000674107806 863026110 /nfs/dbraw/zinc/02/61/10/863026110.db2.gz YDPCIRNYLGGSOB-SNVBAGLBSA-N -1 3 378.416 3.842 20 0 GHADHM COC(=O)C1(N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C2CC2)CCC1 ZINC000595538833 858544154 /nfs/dbraw/zinc/54/41/54/858544154.db2.gz VQPXJHAXAYXJRP-UHFFFAOYSA-N -1 3 399.472 3.717 20 0 GHADHM O=C([N-]c1cc(F)cc(F)c1F)c1occc1CS(=O)(=O)c1ccccc1 ZINC000522023575 858545747 /nfs/dbraw/zinc/54/57/47/858545747.db2.gz QZBZGSJVTBDHBB-UHFFFAOYSA-N -1 3 395.358 3.923 20 0 GHADHM CCCN(CC(F)F)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000605404808 863038705 /nfs/dbraw/zinc/03/87/05/863038705.db2.gz WCSHMKIXYZEXSR-UHFFFAOYSA-N -1 3 378.297 3.544 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)c2cccc([O-])c2)C(C)C)cc1 ZINC000575126985 858573661 /nfs/dbraw/zinc/57/36/61/858573661.db2.gz MFNMABGKTHDXQJ-NRFANRHFSA-N -1 3 389.517 3.803 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000443363887 858610193 /nfs/dbraw/zinc/61/01/93/858610193.db2.gz YKMQXWMYCYVXOT-LBPRGKRZSA-N -1 3 387.935 3.937 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000191174291 858619322 /nfs/dbraw/zinc/61/93/22/858619322.db2.gz ZDVRGDZJRSOZSH-UHFFFAOYSA-N -1 3 375.780 3.945 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1Cl ZINC000121081535 858637024 /nfs/dbraw/zinc/63/70/24/858637024.db2.gz OADBRGKTEIPRFJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1Cl ZINC000121081535 858637028 /nfs/dbraw/zinc/63/70/28/858637028.db2.gz OADBRGKTEIPRFJ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000443418625 858654530 /nfs/dbraw/zinc/65/45/30/858654530.db2.gz SITYMGBKQLQGSL-UHFFFAOYSA-N -1 3 393.358 3.966 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1F ZINC000543162292 858693535 /nfs/dbraw/zinc/69/35/35/858693535.db2.gz COUPAAMMUNUVOP-UHFFFAOYSA-N -1 3 394.399 3.960 20 0 GHADHM CCOc1cccc2cc([C@@H](C)NC(=O)NCc3nc(C(F)(F)F)n[n-]3)oc21 ZINC000482675623 858753641 /nfs/dbraw/zinc/75/36/41/858753641.db2.gz SAEMSRDNVUOGHD-SECBINFHSA-N -1 3 397.357 3.529 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000482772640 858842170 /nfs/dbraw/zinc/84/21/70/858842170.db2.gz NQXOQWNDGPHMGH-JTQLQIEISA-N -1 3 385.338 3.799 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC1(F)F ZINC000673378639 858863485 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GHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000185555468 859094132 /nfs/dbraw/zinc/09/41/32/859094132.db2.gz QTPPIHREACAFMU-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1c(Cl)cccc1Br ZINC000380292599 859158576 /nfs/dbraw/zinc/15/85/76/859158576.db2.gz RINANWHOSXYEHG-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM CC(C)C1([N-]S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000379710193 859166932 /nfs/dbraw/zinc/16/69/32/859166932.db2.gz JWEJLRQLYNRMNC-UHFFFAOYSA-N -1 3 397.132 3.679 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCc2sccc2C)cc1OC ZINC000162284416 859174296 /nfs/dbraw/zinc/17/42/96/859174296.db2.gz ZOLOSTBZJKPUIR-UHFFFAOYSA-N -1 3 396.534 3.788 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)cc1C ZINC000509376856 859226678 /nfs/dbraw/zinc/22/66/78/859226678.db2.gz UPIXEUIFYKFSNA-UHFFFAOYSA-N -1 3 386.395 3.995 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(Br)c3ccccc23)c(=O)[n-]1 ZINC000543312805 859231990 /nfs/dbraw/zinc/23/19/90/859231990.db2.gz PUTYEPDCHJSMSF-UHFFFAOYSA-N -1 3 387.237 3.728 20 0 GHADHM CCCCc1ccc(NC(=S)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000060435004 859258527 /nfs/dbraw/zinc/25/85/27/859258527.db2.gz KJHUSDMDACECPP-UHFFFAOYSA-N -1 3 397.544 3.890 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(-c4cscn4)c3)no2)cc1 ZINC000547262876 859291868 /nfs/dbraw/zinc/29/18/68/859291868.db2.gz CBXMPWQJNQQGMR-UHFFFAOYSA-N -1 3 398.469 3.899 20 0 GHADHM CCCC[C@@H](CCC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000483467399 859393945 /nfs/dbraw/zinc/39/39/45/859393945.db2.gz ANNPNMJZZOQANQ-CQSZACIVSA-N -1 3 385.530 3.937 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1Cl ZINC000543687180 859451935 /nfs/dbraw/zinc/45/19/35/859451935.db2.gz GWCJTLNJBIPGFK-HOCLYGCPSA-N -1 3 387.835 3.817 20 0 GHADHM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000764474045 859460715 /nfs/dbraw/zinc/46/07/15/859460715.db2.gz FERDBJOFVFCPLV-UHFFFAOYSA-N -1 3 391.859 3.556 20 0 GHADHM O=C([O-])[C@@H]1CN(CCOc2cccc(Br)c2)Cc2ccccc21 ZINC000321361324 859507279 /nfs/dbraw/zinc/50/72/79/859507279.db2.gz SYXBWPCYKAABOH-QGZVFWFLSA-N -1 3 376.250 3.512 20 0 GHADHM Cc1ccc(CCCCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673505196 859612591 /nfs/dbraw/zinc/61/25/91/859612591.db2.gz ADHDLIWVGXUSMT-IRXDYDNUSA-N -1 3 383.492 3.588 20 0 GHADHM C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502335 859620163 /nfs/dbraw/zinc/62/01/63/859620163.db2.gz ALBGPUXVXHJZRZ-HUUCEWRRSA-N -1 3 397.475 3.502 20 0 GHADHM CCC(CC)(C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673507246 859633851 /nfs/dbraw/zinc/63/38/51/859633851.db2.gz JXOYLLJNQGOLER-JKSUJKDBSA-N -1 3 383.492 3.625 20 0 GHADHM O=S(=O)([N-]c1cnn(CC2CC2)c1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000174767968 881445138 /nfs/dbraw/zinc/44/51/38/881445138.db2.gz TYRSWIIBRQIHLR-UHFFFAOYSA-N -1 3 395.431 3.624 20 0 GHADHM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])sc1C ZINC000597588540 859651487 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CCc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484234472 859890910 /nfs/dbraw/zinc/89/09/10/859890910.db2.gz PGDIVEZOFPOVAK-UHFFFAOYSA-N -1 3 378.457 3.988 20 0 GHADHM CSCC1(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000597982935 859984974 /nfs/dbraw/zinc/98/49/74/859984974.db2.gz CQVWBHFFVPRLNH-UHFFFAOYSA-N -1 3 395.322 3.554 20 0 GHADHM COc1ccc(N(Cc2ccco2)C(=O)c2cc3c(cc2[O-])OCO3)cc1F ZINC000436533275 860018703 /nfs/dbraw/zinc/01/87/03/860018703.db2.gz YBWNSSIGNBHOFE-UHFFFAOYSA-N -1 3 385.347 3.709 20 0 GHADHM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436536564 860020153 /nfs/dbraw/zinc/02/01/53/860020153.db2.gz DDTYEGDDUQZJRZ-UHFFFAOYSA-N -1 3 387.395 3.771 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(F)c1F ZINC000624899138 860033481 /nfs/dbraw/zinc/03/34/81/860033481.db2.gz NUSMNTMXPKSKQM-HNAYVOBHSA-N -1 3 381.444 3.719 20 0 GHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1 ZINC000154295049 860054710 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GHADHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000673567902 860168848 /nfs/dbraw/zinc/16/88/48/860168848.db2.gz WEAQJWGKMRMZFT-LLVKDONJSA-N -1 3 395.843 3.710 20 0 GHADHM O=C(CNC(=O)c1cc([O-])c2ccccc2c1)Nc1cccc(Br)c1 ZINC000527169894 860169647 /nfs/dbraw/zinc/16/96/47/860169647.db2.gz YEAOZPGCIAFAMH-UHFFFAOYSA-N -1 3 399.244 3.676 20 0 GHADHM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527165598 860169929 /nfs/dbraw/zinc/16/99/29/860169929.db2.gz ATSMCBQGSCZXAQ-QFIPXVFZSA-N -1 3 390.483 3.657 20 0 GHADHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc([O-])c2ccccc2c1 ZINC000471698426 860172245 /nfs/dbraw/zinc/17/22/45/860172245.db2.gz PXEFAAVVEWCDAT-HXUWFJFHSA-N -1 3 376.412 3.915 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2ccccc21)c1cc(Br)ccc1Cl ZINC000727682666 860180548 /nfs/dbraw/zinc/18/05/48/860180548.db2.gz XUXIGBDTGMZTHZ-GFCCVEGCSA-N -1 3 388.670 3.515 20 0 GHADHM O=C(C=Cc1cccc(OC2CCCC2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000727673275 860183802 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O=C([O-])C1CCN(c2ccc(CNC3(CCOCc4ccccc4)CC3)o2)CC1 ZINC000904227056 860252764 /nfs/dbraw/zinc/25/27/64/860252764.db2.gz CVWGDKAXJKVMGD-UHFFFAOYSA-N -1 3 398.503 3.810 20 0 GHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)s1 ZINC000484756274 860325337 /nfs/dbraw/zinc/32/53/37/860325337.db2.gz TYLJZFXXZLJBAQ-AWEZNQCLSA-N -1 3 397.518 3.609 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)n1 ZINC000428919273 860351553 /nfs/dbraw/zinc/35/15/53/860351553.db2.gz FHXIYKHDTKHTCL-LRDDRELGSA-N -1 3 381.398 3.725 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)c2cccc(Oc3ccncc3)c2)[nH][n-]1 ZINC000602940853 860374961 /nfs/dbraw/zinc/37/49/61/860374961.db2.gz JYFZUDFMQQEKKX-UHFFFAOYSA-N -1 3 386.411 3.947 20 0 GHADHM COc1ccc2cc(C(=O)N[N-]C(=O)c3ccccc3Br)ccc2c1 ZINC000019168982 860408869 /nfs/dbraw/zinc/40/88/69/860408869.db2.gz GTJMLZZZKLEAHC-UHFFFAOYSA-N -1 3 399.244 3.686 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCOc2cccc3ccccc32)cc1 ZINC000060959582 860438256 /nfs/dbraw/zinc/43/82/56/860438256.db2.gz FZGBGQXFUNYRQI-UHFFFAOYSA-N -1 3 399.468 3.837 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1c(F)cccc1Cl ZINC000751468724 860454959 /nfs/dbraw/zinc/45/49/59/860454959.db2.gz SXVIFFUWKAOWPS-WPPNPWJKSA-N -1 3 384.281 3.594 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436661553 860544483 /nfs/dbraw/zinc/54/44/83/860544483.db2.gz DBEAAURLIYIKHA-SFHVURJKSA-N -1 3 397.324 3.851 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2ncoc2-c2ccon2)sc2c1CCCC2 ZINC000598794361 860572589 /nfs/dbraw/zinc/57/25/89/860572589.db2.gz HCOHTMVCCRURLO-UHFFFAOYSA-N -1 3 387.417 3.699 20 0 GHADHM Cc1ccc(Oc2ccc(OCC(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)cc1 ZINC000026252278 860585310 /nfs/dbraw/zinc/58/53/10/860585310.db2.gz YIDDOCXEGVUHRP-UHFFFAOYSA-N -1 3 392.337 3.942 20 0 GHADHM Cc1ccc(Oc2ccc(OCC(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)cc1 ZINC000026252278 860585316 /nfs/dbraw/zinc/58/53/16/860585316.db2.gz YIDDOCXEGVUHRP-UHFFFAOYSA-N -1 3 392.337 3.942 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC2(CC2)CC1 ZINC000598910076 860668489 /nfs/dbraw/zinc/66/84/89/860668489.db2.gz QVLXQGWRWIPVSJ-UHFFFAOYSA-N -1 3 388.464 3.643 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000098093170 860717389 /nfs/dbraw/zinc/71/73/89/860717389.db2.gz QZBAHQUFYPDULK-UHFFFAOYSA-N -1 3 389.202 3.810 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000028332934 860763090 /nfs/dbraw/zinc/76/30/90/860763090.db2.gz VJMOTWRDDBFAPW-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@H]3CCCC(F)(F)C3)[n-]c(=O)c12 ZINC000509066432 860779268 /nfs/dbraw/zinc/77/92/68/860779268.db2.gz NFSQTQPOQNELRP-JTQLQIEISA-N -1 3 383.420 3.743 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000102890260 860839739 /nfs/dbraw/zinc/83/97/39/860839739.db2.gz XKMDZIQSHOJMES-UHFFFAOYSA-N -1 3 375.428 3.761 20 0 GHADHM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000600050678 860866800 /nfs/dbraw/zinc/86/68/00/860866800.db2.gz QXTYPYIPBMJXEL-UHFFFAOYSA-N -1 3 399.760 3.715 20 0 GHADHM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000600050678 860866805 /nfs/dbraw/zinc/86/68/05/860866805.db2.gz QXTYPYIPBMJXEL-UHFFFAOYSA-N -1 3 399.760 3.715 20 0 GHADHM N#Cc1ccc(CCC(=O)[N-]OCc2ccc(F)cc2Br)cc1 ZINC000186647604 860913711 /nfs/dbraw/zinc/91/37/11/860913711.db2.gz NFKHEXMIGMLMDK-UHFFFAOYSA-N -1 3 377.213 3.640 20 0 GHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000625126602 860965673 /nfs/dbraw/zinc/96/56/73/860965673.db2.gz AOCYSTLFMSMAPF-ZETCQYMHSA-N -1 3 378.185 3.516 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Cl)ccc1C(F)(F)F ZINC000329060502 860983894 /nfs/dbraw/zinc/98/38/94/860983894.db2.gz JJDKZHBUAHUJES-RTXFEEFZSA-N -1 3 383.819 3.595 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000481312029 861014697 /nfs/dbraw/zinc/01/46/97/861014697.db2.gz QKZJMPMETMZKQF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000481312029 861014711 /nfs/dbraw/zinc/01/47/11/861014711.db2.gz QKZJMPMETMZKQF-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccc(Br)c1[O-])C(C)C ZINC000730364842 861073804 /nfs/dbraw/zinc/07/38/04/861073804.db2.gz JGUSFMMSHBHUPE-AWEZNQCLSA-N -1 3 386.286 3.641 20 0 GHADHM C[C@@H](NC(=O)NNC(=O)c1ccccc1[O-])c1ccc(Cl)c2ccccc21 ZINC000185663531 861134611 /nfs/dbraw/zinc/13/46/11/861134611.db2.gz RIWUEBGFCREAHU-GFCCVEGCSA-N -1 3 383.835 3.904 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000605495767 863116842 /nfs/dbraw/zinc/11/68/42/863116842.db2.gz HSOXCHLCAYKSFU-UHFFFAOYSA-N -1 3 377.466 3.843 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000042390088 863158918 /nfs/dbraw/zinc/15/89/18/863158918.db2.gz UKQSWSUMNQQFSR-UHFFFAOYSA-N -1 3 380.422 3.506 20 0 GHADHM CC(C)[C@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281636919 863286158 /nfs/dbraw/zinc/28/61/58/863286158.db2.gz HCHXVFVHFABCCN-KRWDZBQOSA-N -1 3 384.442 3.733 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(C(C)C)cc21 ZINC000494375538 881647018 /nfs/dbraw/zinc/64/70/18/881647018.db2.gz FSCWLKKGOATKRV-KRWDZBQOSA-N -1 3 391.464 3.702 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1C1CCC1 ZINC000444087357 863356763 /nfs/dbraw/zinc/35/67/63/863356763.db2.gz ZPAVUDMTKLUQQQ-MRXNPFEDSA-N -1 3 375.266 3.695 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC000182839938 863373874 /nfs/dbraw/zinc/37/38/74/863373874.db2.gz BZCJIWKHQMFIDQ-UHFFFAOYSA-N -1 3 386.807 3.921 20 0 GHADHM C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000186151805 863461763 /nfs/dbraw/zinc/46/17/63/863461763.db2.gz MSQCARQKVXKXNE-SSDOTTSWSA-N -1 3 396.182 3.897 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc(Br)cc1Cl ZINC000606659517 863750790 /nfs/dbraw/zinc/75/07/90/863750790.db2.gz LBGVSELAGICZOK-UHFFFAOYSA-N -1 3 387.636 3.947 20 0 GHADHM Cc1cc(=NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[nH]n1[C@H](C)C1CC1 ZINC000444299570 863834917 /nfs/dbraw/zinc/83/49/17/863834917.db2.gz CEOOVMBEIYJPCJ-OAHLLOKOSA-N -1 3 389.455 3.773 20 0 GHADHM Cc1nc2ccc(NC(=O)NCc3ccc([O-])c(Br)c3)cc2o1 ZINC000158633538 863896077 /nfs/dbraw/zinc/89/60/77/863896077.db2.gz BKDMXAQRIGTWFC-UHFFFAOYSA-N -1 3 376.210 3.926 20 0 GHADHM COCCSc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000103446493 863987652 /nfs/dbraw/zinc/98/76/52/863987652.db2.gz DUUHVDQKEODOTC-CQSZACIVSA-N -1 3 382.485 3.758 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000444319789 864172741 /nfs/dbraw/zinc/17/27/41/864172741.db2.gz QDACOWRKBVMREB-HIFRSBDPSA-N -1 3 390.480 3.853 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C)c(N)c3)cc2)cc1 ZINC000621522105 864224388 /nfs/dbraw/zinc/22/43/88/864224388.db2.gz GYBMXSJZNXLLBC-UHFFFAOYSA-N -1 3 395.484 3.939 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000523008607 864446351 /nfs/dbraw/zinc/44/63/51/864446351.db2.gz TZLXUOXQUHMACQ-UHFFFAOYSA-N -1 3 375.413 3.740 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000523008607 864446355 /nfs/dbraw/zinc/44/63/55/864446355.db2.gz TZLXUOXQUHMACQ-UHFFFAOYSA-N -1 3 375.413 3.740 20 0 GHADHM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000856812784 881766537 /nfs/dbraw/zinc/76/65/37/881766537.db2.gz XTMCTKXYMQVJCP-UHFFFAOYSA-N -1 3 392.377 3.577 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nc(C)cs1 ZINC000155976736 864478685 /nfs/dbraw/zinc/47/86/85/864478685.db2.gz CLFLZVCCMZWLFT-NSHDSACASA-N -1 3 393.303 3.783 20 0 GHADHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621876492 864520973 /nfs/dbraw/zinc/52/09/73/864520973.db2.gz AKEIUYSMEDIPQK-UHFFFAOYSA-N -1 3 394.393 3.804 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cn2)cc1 ZINC000480358689 864541958 /nfs/dbraw/zinc/54/19/58/864541958.db2.gz CIEWXUBIFVUQNC-UHFFFAOYSA-N -1 3 392.341 3.641 20 0 GHADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc2)n[nH]1 ZINC000164035648 864587054 /nfs/dbraw/zinc/58/70/54/864587054.db2.gz MPAKNZFZEJWCQD-ZDUSSCGKSA-N -1 3 385.445 3.635 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480407637 864599271 /nfs/dbraw/zinc/59/92/71/864599271.db2.gz HDMKMXSGXFHTQE-UHFFFAOYSA-N -1 3 378.141 3.542 20 0 GHADHM COCCOCCS(=O)(=O)[N-]c1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000164756550 864633214 /nfs/dbraw/zinc/63/32/14/864633214.db2.gz WFPUEFDGHROGFQ-UHFFFAOYSA-N -1 3 387.860 3.551 20 0 GHADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104869736 864680802 /nfs/dbraw/zinc/68/08/02/864680802.db2.gz SZVGODAVXJNQJB-UHFFFAOYSA-N -1 3 378.428 3.672 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCN(c2ccccc2F)CC1 ZINC000622051767 864736227 /nfs/dbraw/zinc/73/62/27/864736227.db2.gz QQFURVHRBAQKRX-UHFFFAOYSA-N -1 3 382.357 3.903 20 0 GHADHM CCOC(=O)CN(Cc1c2c(ccc1[O-])oc1c2CCCC1)CC(F)(F)F ZINC000063453101 864744926 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Cc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1Br ZINC000479140480 867262250 /nfs/dbraw/zinc/26/22/50/867262250.db2.gz DBRYGNYDMRYOCC-GFCCVEGCSA-N -1 3 386.233 3.767 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Br)cc1-n1cncn1 ZINC000534704022 867288352 /nfs/dbraw/zinc/28/83/52/867288352.db2.gz FOBZYQHXDOKSSW-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Cc1ccc([C@@H]2CCN(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)C2)cc1 ZINC000640296764 882071860 /nfs/dbraw/zinc/07/18/60/882071860.db2.gz QGYITCMYMBWTTM-CYBMUJFWSA-N -1 3 386.805 3.851 20 0 GHADHM O=C(OCc1nnc2n1CCCC2)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000783948439 867513035 /nfs/dbraw/zinc/51/30/35/867513035.db2.gz VWHQDUSAHOAHSW-UHFFFAOYSA-N -1 3 383.835 3.997 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000523555336 867520674 /nfs/dbraw/zinc/52/06/74/867520674.db2.gz BAGYLTZSNGQLIB-OAHLLOKOSA-N -1 3 383.514 3.643 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000857181994 882093377 /nfs/dbraw/zinc/09/33/77/882093377.db2.gz WGTYJOZEHJCGOM-UHFFFAOYSA-N -1 3 397.368 3.760 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000742802178 867566560 /nfs/dbraw/zinc/56/65/60/867566560.db2.gz JSEBYPRFOQSLOT-YOEHRIQHSA-N -1 3 398.544 3.943 20 0 GHADHM C[C@@H]1CN(Cc2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2)C[C@@H](C)O1 ZINC000920446326 882111148 /nfs/dbraw/zinc/11/11/48/882111148.db2.gz NMRIRRNCCBPSIL-HUUCEWRRSA-N -1 3 388.895 3.585 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000121468443 882125401 /nfs/dbraw/zinc/12/54/01/882125401.db2.gz ZYNAQNHVRSAXTI-UHFFFAOYSA-N -1 3 397.865 3.680 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2ncsc2c1 ZINC000479493510 867880896 /nfs/dbraw/zinc/88/08/96/867880896.db2.gz XVUZTPGHZNDENH-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccoc2Br)[nH][n-]1 ZINC000445198692 867941345 /nfs/dbraw/zinc/94/13/45/867941345.db2.gz WDTKUNAWPSUVLR-UHFFFAOYSA-N -1 3 396.628 3.768 20 0 GHADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(F)c(Br)c3)ccc21 ZINC000743248644 868015074 /nfs/dbraw/zinc/01/50/74/868015074.db2.gz LLJOIRODRHPSKE-UHFFFAOYSA-N -1 3 399.285 3.771 20 0 GHADHM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc2ncccc2c1 ZINC000743262358 868038026 /nfs/dbraw/zinc/03/80/26/868038026.db2.gz PUNOTAVESHDLRC-UHFFFAOYSA-N -1 3 376.850 3.694 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1sc(C)nc1C ZINC000128306670 868236343 /nfs/dbraw/zinc/23/63/43/868236343.db2.gz DGYNEXJULPETQK-NSHDSACASA-N -1 3 377.853 3.692 20 0 GHADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000156351809 868335808 /nfs/dbraw/zinc/33/58/08/868335808.db2.gz WJMADMSGSSEODQ-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1cc(F)c(Br)cc1F ZINC000156383290 868347660 /nfs/dbraw/zinc/34/76/60/868347660.db2.gz FEOFNTQTINQWTL-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1ccc(Cn2cccn2)o1 ZINC000743713322 868378410 /nfs/dbraw/zinc/37/84/10/868378410.db2.gz DUGZQSGZPADURS-UHFFFAOYSA-N -1 3 385.836 3.949 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000128322686 868404809 /nfs/dbraw/zinc/40/48/09/868404809.db2.gz WOQVIQQYHZQJAB-CYBMUJFWSA-N -1 3 387.779 3.526 20 0 GHADHM O=C([N-]c1cc(F)ccc1F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000121629217 882191159 /nfs/dbraw/zinc/19/11/59/882191159.db2.gz WFBSIILIBFDMKV-UHFFFAOYSA-N -1 3 386.255 3.956 20 0 GHADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1C ZINC000325306124 868480913 /nfs/dbraw/zinc/48/09/13/868480913.db2.gz RDNZFGPYUHQVOV-UHFFFAOYSA-N -1 3 391.276 3.916 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)N2CCCC2)o1 ZINC000133374739 882207669 /nfs/dbraw/zinc/20/76/69/882207669.db2.gz HNTVWVLDPHTLPR-OAHLLOKOSA-N -1 3 393.281 3.623 20 0 GHADHM CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000535420195 868718032 /nfs/dbraw/zinc/71/80/32/868718032.db2.gz VXVVGUKCVDYGPI-SFHVURJKSA-N -1 3 386.879 3.984 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000621117070 868748379 /nfs/dbraw/zinc/74/83/79/868748379.db2.gz QVSROJFFHXKGEH-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000621117070 868748387 /nfs/dbraw/zinc/74/83/87/868748387.db2.gz QVSROJFFHXKGEH-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM CC[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(OC)cc1 ZINC000648432005 882226177 /nfs/dbraw/zinc/22/61/77/882226177.db2.gz MNRZPRLNZXAXJQ-GFCCVEGCSA-N -1 3 375.778 3.662 20 0 GHADHM CCc1ccc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1 ZINC000744422665 868824539 /nfs/dbraw/zinc/82/45/39/868824539.db2.gz NVSBEMRBCWAGAF-UHFFFAOYSA-N -1 3 388.471 3.966 20 0 GHADHM CSCc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000524291249 868836415 /nfs/dbraw/zinc/83/64/15/868836415.db2.gz SCFRFAZFMFSAAG-UHFFFAOYSA-N -1 3 394.500 3.575 20 0 GHADHM COc1cc(CO[N-]C(=O)Cc2cccc3ccccc32)c([N+](=O)[O-])cc1F ZINC000183965966 868841558 /nfs/dbraw/zinc/84/15/58/868841558.db2.gz SIZPKRSUUSFCLF-UHFFFAOYSA-N -1 3 384.363 3.686 20 0 GHADHM CSc1nc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)n[n-]1 ZINC000524301855 868872095 /nfs/dbraw/zinc/87/20/95/868872095.db2.gz DBTDOEANGBXNAH-UHFFFAOYSA-N -1 3 384.490 3.547 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Sc1ccc(C)cc1C)c1ccccc1 ZINC000524411885 869034382 /nfs/dbraw/zinc/03/43/82/869034382.db2.gz JAPIYKAZBWBWBX-UYAOXDASSA-N -1 3 395.528 3.765 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CCCc2c(O)cccc21 ZINC000190726705 882255852 /nfs/dbraw/zinc/25/58/52/882255852.db2.gz HHDMLGQBJNMZDH-AWEZNQCLSA-N -1 3 376.250 3.597 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nc(Cc4ccccc4)no3)n[n-]2)o1 ZINC000744786861 869078231 /nfs/dbraw/zinc/07/82/31/869078231.db2.gz IOMMMNJPKZUPNJ-ZDUSSCGKSA-N -1 3 378.388 3.870 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nc(Cc4ccccc4)no3)[n-]n2)o1 ZINC000744786861 869078244 /nfs/dbraw/zinc/07/82/44/869078244.db2.gz IOMMMNJPKZUPNJ-ZDUSSCGKSA-N -1 3 378.388 3.870 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)s1 ZINC000462291289 869181696 /nfs/dbraw/zinc/18/16/96/869181696.db2.gz FIHMVLNFOFZCBA-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CCc1cc(=O)[n-]c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)n1 ZINC000428785470 869192062 /nfs/dbraw/zinc/19/20/62/869192062.db2.gz ZXMHVKFASWHOQG-LRDDRELGSA-N -1 3 381.398 3.725 20 0 GHADHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OC)c3ccccc32)o1 ZINC000462317802 869232841 /nfs/dbraw/zinc/23/28/41/869232841.db2.gz XATSCMVFWZZANN-KRWDZBQOSA-N -1 3 389.473 3.670 20 0 GHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462624797 869783988 /nfs/dbraw/zinc/78/39/88/869783988.db2.gz TZECWEWSICSYNV-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000525007546 869875236 /nfs/dbraw/zinc/87/52/36/869875236.db2.gz KGLIHDPYNXRQPQ-UHFFFAOYSA-N -1 3 391.489 3.563 20 0 GHADHM CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000446521796 869983635 /nfs/dbraw/zinc/98/36/35/869983635.db2.gz NHAOPXUUSDXCSH-KRWDZBQOSA-N -1 3 386.517 3.976 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)C1(C2CC2)CCOCC1 ZINC000462782183 870057508 /nfs/dbraw/zinc/05/75/08/870057508.db2.gz ZVSIPQQDUPCQFM-UHFFFAOYSA-N -1 3 380.275 3.951 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)cc1F ZINC000122005245 882375542 /nfs/dbraw/zinc/37/55/42/882375542.db2.gz WYOYLEDXYYTCAA-BEFAXECRSA-N -1 3 381.444 3.719 20 0 GHADHM O=C(CCCC(F)(F)F)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000539966011 870121476 /nfs/dbraw/zinc/12/14/76/870121476.db2.gz FUPHNDMZPLZJJG-UHFFFAOYSA-N -1 3 392.805 3.955 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c([O-])c1 ZINC000540028024 870242164 /nfs/dbraw/zinc/24/21/64/870242164.db2.gz MUBBNNIEUMNECW-UHFFFAOYSA-N -1 3 393.443 3.683 20 0 GHADHM COc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3[O-])C2)nc1 ZINC001192322777 870288161 /nfs/dbraw/zinc/28/81/61/870288161.db2.gz NJULCCSQINYDDR-QGZVFWFLSA-N -1 3 384.476 3.777 20 0 GHADHM COC[C@@H]1COCCC12CCN(C(=O)c1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001192326549 870290904 /nfs/dbraw/zinc/29/09/04/870290904.db2.gz NFNZSDZTLVUEMA-QGZVFWFLSA-N -1 3 375.509 3.595 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c1Br ZINC001192355936 870316175 /nfs/dbraw/zinc/31/61/75/870316175.db2.gz LSUNEXPVIOJJDV-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000775524950 870327552 /nfs/dbraw/zinc/32/75/52/870327552.db2.gz UXIVIBLAWZBZDN-LJQANCHMSA-N -1 3 386.404 3.574 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000775524950 870327570 /nfs/dbraw/zinc/32/75/70/870327570.db2.gz UXIVIBLAWZBZDN-LJQANCHMSA-N -1 3 386.404 3.574 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(Oc2ccc(O)cc2)cc1 ZINC001192451062 870413105 /nfs/dbraw/zinc/41/31/05/870413105.db2.gz JTLLBMZLTRDILR-UHFFFAOYSA-N -1 3 389.367 3.791 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cnc1Cl ZINC001192568488 870485212 /nfs/dbraw/zinc/48/52/12/870485212.db2.gz SHVOGQRCEOVAPM-UHFFFAOYSA-N -1 3 379.913 3.830 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cccc(Cl)c1Cl ZINC000737946526 870710560 /nfs/dbraw/zinc/71/05/60/870710560.db2.gz HELDFZYPJZJRHR-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1cccc(Cl)c1Cl ZINC000737946526 870710574 /nfs/dbraw/zinc/71/05/74/870710574.db2.gz HELDFZYPJZJRHR-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC(F)(F)F)cn1 ZINC001192851289 870731709 /nfs/dbraw/zinc/73/17/09/870731709.db2.gz FNXBTTWWRIFHBM-UHFFFAOYSA-N -1 3 377.116 3.701 20 0 GHADHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)N1c3ccccc3CCc3ccccc31)C2 ZINC000263582084 870748304 /nfs/dbraw/zinc/74/83/04/870748304.db2.gz YBYQZZAVRVKWKI-YADARESESA-N -1 3 390.483 3.637 20 0 GHADHM CCc1cc2c(CNC3(c4ccc5c(c4)OCO5)CC3)cc(=O)oc2cc1[O-] ZINC000775553092 870765138 /nfs/dbraw/zinc/76/51/38/870765138.db2.gz KYTFGEGRXKYRST-UHFFFAOYSA-N -1 3 379.412 3.569 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1COc2ccccc21 ZINC000738184357 870783875 /nfs/dbraw/zinc/78/38/75/870783875.db2.gz PEVIPOCZKRCRJA-IBGZPJMESA-N -1 3 399.410 3.774 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1COc2ccccc21 ZINC000738184357 870783887 /nfs/dbraw/zinc/78/38/87/870783887.db2.gz PEVIPOCZKRCRJA-IBGZPJMESA-N -1 3 399.410 3.774 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1COc2ccccc21 ZINC000738184360 870784452 /nfs/dbraw/zinc/78/44/52/870784452.db2.gz PEVIPOCZKRCRJA-LJQANCHMSA-N -1 3 399.410 3.774 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1COc2ccccc21 ZINC000738184360 870784465 /nfs/dbraw/zinc/78/44/65/870784465.db2.gz PEVIPOCZKRCRJA-LJQANCHMSA-N -1 3 399.410 3.774 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(Cl)ccc(C)c1C ZINC000446951834 870793919 /nfs/dbraw/zinc/79/39/19/870793919.db2.gz JTUXMYALIKOGNI-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1nc2ccccc2n1C(F)F ZINC000506068128 870815764 /nfs/dbraw/zinc/81/57/64/870815764.db2.gz BKKFHPZXIMBREU-NSHDSACASA-N -1 3 382.370 3.764 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(OC)nc4ccccc34)nc2)n1 ZINC000463073938 870837861 /nfs/dbraw/zinc/83/78/61/870837861.db2.gz LSHADQZFLFUVOE-UHFFFAOYSA-N -1 3 387.443 3.976 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)c([O-])c1 ZINC000538928115 870907458 /nfs/dbraw/zinc/90/74/58/870907458.db2.gz RLYXBPJXSLRRSU-UHFFFAOYSA-N -1 3 399.834 3.719 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)c([O-])c1 ZINC000538926979 870938568 /nfs/dbraw/zinc/93/85/68/870938568.db2.gz IAEPHQBIPCPOJE-UHFFFAOYSA-N -1 3 394.221 3.592 20 0 GHADHM CCOC(=O)CN(Cc1cc(=O)oc2c(C)c([O-])ccc12)[C@@H](C)c1ccccc1 ZINC001168902495 870986077 /nfs/dbraw/zinc/98/60/77/870986077.db2.gz JWCXPLIFLWSHSW-INIZCTEOSA-N -1 3 395.455 3.933 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1cccc(OCCO)c1[O-] ZINC001193327278 871023495 /nfs/dbraw/zinc/02/34/95/871023495.db2.gz VZRLONDYWZBALZ-UHFFFAOYSA-N -1 3 393.443 3.604 20 0 GHADHM CC(C)Oc1cc(NC(=O)c2cccc(OCCO)c2[O-])cc(C(F)(F)F)c1 ZINC001193345283 871033727 /nfs/dbraw/zinc/03/37/27/871033727.db2.gz VTWLPCLCFGERKW-UHFFFAOYSA-N -1 3 399.365 3.822 20 0 GHADHM CC(C)[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000263129452 882470624 /nfs/dbraw/zinc/47/06/24/882470624.db2.gz MWNFKOOCNXYWCF-FQEVSTJZSA-N -1 3 381.538 3.520 20 0 GHADHM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC001193361831 871051147 /nfs/dbraw/zinc/05/11/47/871051147.db2.gz YJZIXGLILTXHQK-GFCCVEGCSA-N -1 3 394.320 3.641 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000509641597 871055560 /nfs/dbraw/zinc/05/55/60/871055560.db2.gz YAPRIJADAXIJJR-LSDHHAIUSA-N -1 3 379.382 3.942 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F ZINC000766563160 871092334 /nfs/dbraw/zinc/09/23/34/871092334.db2.gz APYIPCSDRYAJME-LJQANCHMSA-N -1 3 389.423 3.644 20 0 GHADHM CCOC(=O)c1cccnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000463190203 871092704 /nfs/dbraw/zinc/09/27/04/871092704.db2.gz JHSQPKLVVMTKLY-UHFFFAOYSA-N -1 3 381.413 3.946 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2ccc(Cl)cc21)c1cnc(Cl)c(F)c1 ZINC001193530541 871134799 /nfs/dbraw/zinc/13/47/99/871134799.db2.gz VCDJUJPHEUYWJD-AWEZNQCLSA-N -1 3 375.252 3.883 20 0 GHADHM COc1ccnc(C(=O)N(C[C@H](O)c2ccc3ccccc3c2)C(C)C)c1[O-] ZINC001193529975 871162922 /nfs/dbraw/zinc/16/29/22/871162922.db2.gz WYLCEVZKWHPDQM-SFHVURJKSA-N -1 3 380.444 3.533 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCSC1)c1cc(Br)ccc1Cl ZINC001193628374 871197951 /nfs/dbraw/zinc/19/79/51/871197951.db2.gz KHNFNNYWWNDEEZ-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000461891343 871221551 /nfs/dbraw/zinc/22/15/51/871221551.db2.gz QDQCWTQVTOFGRP-LLVKDONJSA-N -1 3 399.921 3.888 20 0 GHADHM COc1ccc(Br)c(NC(=O)c2ccc([O-])cc2C(F)(F)F)n1 ZINC001193735840 871251774 /nfs/dbraw/zinc/25/17/74/871251774.db2.gz UEYDWIZFXXZOJR-UHFFFAOYSA-N -1 3 391.143 3.829 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)[n-]1 ZINC001193710990 871267065 /nfs/dbraw/zinc/26/70/65/871267065.db2.gz YSUCXQODLCFPHS-UHFFFAOYSA-N -1 3 385.342 3.645 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)c[n-]1 ZINC001193710990 871267082 /nfs/dbraw/zinc/26/70/82/871267082.db2.gz YSUCXQODLCFPHS-UHFFFAOYSA-N -1 3 385.342 3.645 20 0 GHADHM CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857719776 882495397 /nfs/dbraw/zinc/49/53/97/882495397.db2.gz FQRHPQSUFDQANE-CQSZACIVSA-N -1 3 388.386 3.540 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c(F)c1F ZINC001193795823 871309218 /nfs/dbraw/zinc/30/92/18/871309218.db2.gz OEWICXYTAOLFLV-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM O=S(=O)([N-][C@H](CF)c1ccccc1)c1cc(F)cc(Br)c1 ZINC001193813225 871323220 /nfs/dbraw/zinc/32/32/20/871323220.db2.gz TUVJKTMPIDFQIU-CQSZACIVSA-N -1 3 376.222 3.577 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447275566 871343559 /nfs/dbraw/zinc/34/35/59/871343559.db2.gz VNHPVYGILPIOIX-UHFFFAOYSA-N -1 3 375.377 3.673 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC001193945990 871422489 /nfs/dbraw/zinc/42/24/89/871422489.db2.gz LYPAQLOLPUSSJK-UHFFFAOYSA-N -1 3 394.349 3.759 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)NCc1c[nH]c2cc(Br)ccc12 ZINC001193945939 871422853 /nfs/dbraw/zinc/42/28/53/871422853.db2.gz LGXGGXJSHGKESP-UHFFFAOYSA-N -1 3 375.222 3.580 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@H](CC(F)(F)F)C1 ZINC000640301592 882510265 /nfs/dbraw/zinc/51/02/65/882510265.db2.gz DFYNBKUQMORAIB-MRVPVSSYSA-N -1 3 392.731 3.717 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)Cc3ccccc3OC)nc2)n1 ZINC000539185389 871479614 /nfs/dbraw/zinc/47/96/14/871479614.db2.gz IOSKPEDVLQYQLN-HNNXBMFYSA-N -1 3 378.476 3.883 20 0 GHADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(-c3cccs3)cc1)C(=O)N2 ZINC001194170907 871525605 /nfs/dbraw/zinc/52/56/05/871525605.db2.gz QKVKYIDGLYXHMX-GOSISDBHSA-N -1 3 384.482 3.695 20 0 GHADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000804325042 871526283 /nfs/dbraw/zinc/52/62/83/871526283.db2.gz OFMGYPYKPODWKM-RDTXWAMCSA-N -1 3 377.444 3.957 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)cc1F ZINC000122301667 882519331 /nfs/dbraw/zinc/51/93/31/882519331.db2.gz MXPFJYNVYBLHHA-LBPRGKRZSA-N -1 3 378.400 3.968 20 0 GHADHM CC1(C)OC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)[C@@H](c2ccccc2)O1 ZINC001194303008 871610280 /nfs/dbraw/zinc/61/02/80/871610280.db2.gz XXCBFDIHKGFKOT-NVXWUHKLSA-N -1 3 399.871 3.650 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OC2CCCCCCC2)cc1 ZINC000921065422 882532645 /nfs/dbraw/zinc/53/26/45/882532645.db2.gz RRUREICRKPQGAL-UHFFFAOYSA-N -1 3 383.510 3.872 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-][C@H](C3CCC3)C(F)(F)F)cc12 ZINC001194389679 871665521 /nfs/dbraw/zinc/66/55/21/871665521.db2.gz XNUOPTMEARTZQJ-CYBMUJFWSA-N -1 3 394.802 3.603 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194458402 871700232 /nfs/dbraw/zinc/70/02/32/871700232.db2.gz GFSJSAFACXPCTC-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM O=S(=O)([N-]CCc1cnc2ccccc2c1)c1ccc(Br)s1 ZINC001194571881 871803219 /nfs/dbraw/zinc/80/32/19/871803219.db2.gz GIXFUINQTRUMNQ-UHFFFAOYSA-N -1 3 397.319 3.580 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)C2CCC(=O)CC2)c1NC(=O)OC(C)(C)C ZINC001194809622 871962987 /nfs/dbraw/zinc/96/29/87/871962987.db2.gz SQPMEYZLSVPFAE-UHFFFAOYSA-N -1 3 382.482 3.595 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)nnc2Cl)c(C)c1C ZINC001194838716 871984240 /nfs/dbraw/zinc/98/42/40/871984240.db2.gz NRCRFBFBMNKKIF-UHFFFAOYSA-N -1 3 376.265 3.518 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c(C)c1 ZINC001194864929 871996824 /nfs/dbraw/zinc/99/68/24/871996824.db2.gz UVZMVNOYWFNDAF-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000526055359 872053890 /nfs/dbraw/zinc/05/38/90/872053890.db2.gz FLGKVMNAXZAZDX-IBGZPJMESA-N -1 3 379.378 3.732 20 0 GHADHM O=C([N-]c1nc(Cl)c(Cl)nc1Cl)c1ncc(Br)s1 ZINC001195060212 872134570 /nfs/dbraw/zinc/13/45/70/872134570.db2.gz NYSQTVWJWVAJIX-UHFFFAOYSA-N -1 3 388.461 3.908 20 0 GHADHM CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000618953246 872168151 /nfs/dbraw/zinc/16/81/51/872168151.db2.gz AQAXWYIZKKLHHA-FQEVSTJZSA-N -1 3 390.480 3.935 20 0 GHADHM C[C@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001195118246 872181613 /nfs/dbraw/zinc/18/16/13/872181613.db2.gz SUSACNMDBXCVNX-LLVKDONJSA-N -1 3 396.372 3.774 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195134541 872191912 /nfs/dbraw/zinc/19/19/12/872191912.db2.gz QXNJZFUJXYZIRC-HZPDHXFCSA-N -1 3 388.851 3.740 20 0 GHADHM CC(C)N1CC[C@@H](NC(=O)c2cncc([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540823099 872255791 /nfs/dbraw/zinc/25/57/91/872255791.db2.gz XTQKBPBDXVYYEY-MSOLQXFVSA-N -1 3 377.847 3.534 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCCC[C@H]3C[C@H](C)O)cc2)cc(=O)[n-]1 ZINC000552241046 872291100 /nfs/dbraw/zinc/29/11/00/872291100.db2.gz ONJJOBCFMKYJJY-KSSFIOAISA-N -1 3 384.480 3.705 20 0 GHADHM CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463674192 872306859 /nfs/dbraw/zinc/30/68/59/872306859.db2.gz VAKCCLVTDCRJKW-UHFFFAOYSA-N -1 3 398.887 3.942 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C[C@@H]1CCCC2(CCC2)O1)C(F)(F)F ZINC001195307518 872328006 /nfs/dbraw/zinc/32/80/06/872328006.db2.gz RVGJOKGMFPDTMK-CVEARBPZSA-N -1 3 382.426 3.588 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1[O-] ZINC000552287284 872353402 /nfs/dbraw/zinc/35/34/02/872353402.db2.gz NUCBMFCYDSYFLX-KRWDZBQOSA-N -1 3 394.471 3.703 20 0 GHADHM CC(C)(C)n1ncc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1-c1ccccc1 ZINC000526961010 872363005 /nfs/dbraw/zinc/36/30/05/872363005.db2.gz XVGSOZXMXAKMIH-QGZVFWFLSA-N -1 3 379.464 3.554 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)c(C)cc1O ZINC001195377404 872377866 /nfs/dbraw/zinc/37/78/66/872377866.db2.gz HEZAUVCOUCMVAO-UHFFFAOYSA-N -1 3 383.853 3.558 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)ccc2C)c(C)cc1O ZINC001195378956 872379103 /nfs/dbraw/zinc/37/91/03/872379103.db2.gz UPKBAVVOXWTZSN-UHFFFAOYSA-N -1 3 377.462 3.720 20 0 GHADHM CCOC(=O)Cc1cc(Cl)c(NC([S-])=NC(=O)OCC)c(Cl)c1 ZINC001195490082 872440396 /nfs/dbraw/zinc/44/03/96/872440396.db2.gz CVGABJJHJQOYTG-UHFFFAOYSA-N -1 3 379.265 3.542 20 0 GHADHM CCOC(=O)Cc1cc(Cl)c(NC(=S)[N-]C(=O)OCC)c(Cl)c1 ZINC001195490082 872440401 /nfs/dbraw/zinc/44/04/01/872440401.db2.gz CVGABJJHJQOYTG-UHFFFAOYSA-N -1 3 379.265 3.542 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1F ZINC001195505277 872454411 /nfs/dbraw/zinc/45/44/11/872454411.db2.gz LJAOGXKXHZXYHD-JSGCOSHPSA-N -1 3 388.233 3.562 20 0 GHADHM O=S(=O)([N-][C@H]1CC12CCC(F)(F)CC2)c1cc(Br)ccc1F ZINC001195506763 872456550 /nfs/dbraw/zinc/45/65/50/872456550.db2.gz YKWWDQJCZMTWTM-LBPRGKRZSA-N -1 3 398.244 3.835 20 0 GHADHM Cc1ccc(-c2ccc(C)cc2C(=O)N=c2nc3[nH][n-]cc-3c(Cl)n2)cc1 ZINC001195686033 872551168 /nfs/dbraw/zinc/55/11/68/872551168.db2.gz ZZKNFKGDSQPSIT-UHFFFAOYSA-N -1 3 377.835 3.916 20 0 GHADHM Cc1ccc(NCC(=O)N[N-]C(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000182581713 872553784 /nfs/dbraw/zinc/55/37/84/872553784.db2.gz KGWLAWFHUFDAFU-UHFFFAOYSA-N -1 3 385.773 3.540 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]23C[C@H]2COC32CCC2)c1Cl ZINC001195727604 872578066 /nfs/dbraw/zinc/57/80/66/872578066.db2.gz VBDRELMWSHQKGN-XHDPSFHLSA-N -1 3 376.305 3.539 20 0 GHADHM CC(C)O[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000463807739 872623900 /nfs/dbraw/zinc/62/39/00/872623900.db2.gz VPQMAZBHRDFLAE-CABCVRRESA-N -1 3 385.302 3.546 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)Cc2ccccc2Br)[n-]1 ZINC000619448920 872638292 /nfs/dbraw/zinc/63/82/92/872638292.db2.gz LFVVUHBMTBTAHF-NSHDSACASA-N -1 3 394.269 3.556 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)Cc2ccccc2Br)c[n-]1 ZINC000619448920 872638297 /nfs/dbraw/zinc/63/82/97/872638297.db2.gz LFVVUHBMTBTAHF-NSHDSACASA-N -1 3 394.269 3.556 20 0 GHADHM CSc1ccc(N2C[C@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)cc1 ZINC000552435332 872641810 /nfs/dbraw/zinc/64/18/10/872641810.db2.gz ARWLWYYXWHLPPP-LLVKDONJSA-N -1 3 376.865 3.759 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC001195744435 872645773 /nfs/dbraw/zinc/64/57/73/872645773.db2.gz MUFWJBDWLYQTOS-UHFFFAOYSA-N -1 3 379.931 3.724 20 0 GHADHM CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000478172978 872657086 /nfs/dbraw/zinc/65/70/86/872657086.db2.gz AIWCLCAVKCZTBV-CYBMUJFWSA-N -1 3 393.484 3.605 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2ccc([O-])cc2)c(F)c1 ZINC001195802647 872672992 /nfs/dbraw/zinc/67/29/92/872672992.db2.gz HQJGLTLKNHNPHY-UHFFFAOYSA-N -1 3 382.413 3.679 20 0 GHADHM O=S(=O)(Nc1ccc2scnc2c1Br)c1ccc([O-])cc1 ZINC001195802850 872673530 /nfs/dbraw/zinc/67/35/30/872673530.db2.gz OOCOLESLVOZWLH-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM CCOP(=O)(Cc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1)OCC ZINC001195807989 872678776 /nfs/dbraw/zinc/67/87/76/872678776.db2.gz VSYVCQCKFZJSII-UHFFFAOYSA-N -1 3 399.405 3.959 20 0 GHADHM CCOP(=O)(Cc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1)OCC ZINC001195807989 872678781 /nfs/dbraw/zinc/67/87/81/872678781.db2.gz VSYVCQCKFZJSII-UHFFFAOYSA-N -1 3 399.405 3.959 20 0 GHADHM O=C(N=c1nc2[nH][n-]cc-2c(Cl)n1)c1ccc(-c2ccc(F)cc2F)cc1 ZINC001195823902 872695859 /nfs/dbraw/zinc/69/58/59/872695859.db2.gz PPCXOUXLORYCFA-UHFFFAOYSA-N -1 3 385.761 3.577 20 0 GHADHM Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(Sc2ccccc2)n1 ZINC000527208089 872809026 /nfs/dbraw/zinc/80/90/26/872809026.db2.gz LHWZELSLIJKGCK-KRWDZBQOSA-N -1 3 380.473 3.790 20 0 GHADHM O=C(Nc1ncccc1[O-])c1ccc(OC2CCOCC2)c(C(F)(F)F)c1 ZINC001196051020 872857996 /nfs/dbraw/zinc/85/79/96/872857996.db2.gz WKOHYTLHAVWQTP-UHFFFAOYSA-N -1 3 382.338 3.616 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc2cc(Br)ccc2c1 ZINC000448149092 872956905 /nfs/dbraw/zinc/95/69/05/872956905.db2.gz UNGHLZCTPZWUDZ-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc2cc(Br)ccc2c1 ZINC000448149092 872956923 /nfs/dbraw/zinc/95/69/23/872956923.db2.gz UNGHLZCTPZWUDZ-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM CC(C)c1nc(C2([N-]S(=O)(=O)C[C@H](C)c3ccccc3)CCCC2)no1 ZINC000151627183 872966311 /nfs/dbraw/zinc/96/63/11/872966311.db2.gz HBSYOPSMJNXTGP-HNNXBMFYSA-N -1 3 377.510 3.685 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(F)c(-c2c(F)cccc2F)n1 ZINC001196307030 873000217 /nfs/dbraw/zinc/00/02/17/873000217.db2.gz LDQKGDYIAZOGQL-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(F)c(-c2c(F)cccc2F)n1 ZINC001196307030 873000237 /nfs/dbraw/zinc/00/02/37/873000237.db2.gz LDQKGDYIAZOGQL-UHFFFAOYSA-N -1 3 396.332 3.598 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2C)c(Cl)c1 ZINC001196351567 873051150 /nfs/dbraw/zinc/05/11/50/873051150.db2.gz IIJQWEDENLDMMK-INIZCTEOSA-N -1 3 383.879 3.866 20 0 GHADHM O=C(Nc1nc2ccc(F)cc2o1)c1cc([O-])cc(I)c1 ZINC001196398894 873075080 /nfs/dbraw/zinc/07/50/80/873075080.db2.gz KITQUJHDFHCSLD-UHFFFAOYSA-N -1 3 398.131 3.529 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC001196491387 873169747 /nfs/dbraw/zinc/16/97/47/873169747.db2.gz DWXRZRIKEZHFLI-UHFFFAOYSA-N -1 3 396.440 3.982 20 0 GHADHM COc1ccc(Br)cc1CN(C)CCc1ccccc1C(=O)[O-] ZINC000322385826 873181946 /nfs/dbraw/zinc/18/19/46/873181946.db2.gz MZNMTUSUHLKWQO-UHFFFAOYSA-N -1 3 378.266 3.830 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499599 873185758 /nfs/dbraw/zinc/18/57/58/873185758.db2.gz MHGGSGXXEBGASH-QGZVFWFLSA-N -1 3 398.488 3.833 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)n2)n1 ZINC001196629338 873269283 /nfs/dbraw/zinc/26/92/83/873269283.db2.gz MVHSVUNKWSBAEI-UHFFFAOYSA-N -1 3 390.321 3.704 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC(C)(C)c2c(F)cccc2Cl)c(=O)[n-]1 ZINC000464158902 873301217 /nfs/dbraw/zinc/30/12/17/873301217.db2.gz LHWBNUANWDCFJN-UHFFFAOYSA-N -1 3 379.863 3.618 20 0 GHADHM COC(=O)c1ccc(NC(=S)Nc2cc(Br)ccc2[O-])cc1 ZINC001196756188 873354128 /nfs/dbraw/zinc/35/41/28/873354128.db2.gz YJJLTIRVNLJYMC-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM COc1ccc(CC2(C[N-]S(=O)(=O)c3cc(OC)ccc3F)CCC2)cc1 ZINC001196797131 873366884 /nfs/dbraw/zinc/36/68/84/873366884.db2.gz JWUUQCYKAMTZSU-UHFFFAOYSA-N -1 3 393.480 3.534 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(-c2cccs2)nc1 ZINC001196778543 873385631 /nfs/dbraw/zinc/38/56/31/873385631.db2.gz PXEQHSZNLZXQGQ-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000176628600 882720569 /nfs/dbraw/zinc/72/05/69/882720569.db2.gz HFPNUZOARJJKEO-UHFFFAOYSA-N -1 3 394.805 3.815 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000768606850 873440855 /nfs/dbraw/zinc/44/08/55/873440855.db2.gz RSGYQRIQBOKVEO-AWEZNQCLSA-N -1 3 392.377 3.999 20 0 GHADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1csc(-c2ncccc2F)n1 ZINC000448493707 873480346 /nfs/dbraw/zinc/48/03/46/873480346.db2.gz YVEGXYKJSJMLLU-UHFFFAOYSA-N -1 3 384.367 3.813 20 0 GHADHM O=C([N-]CC[C@@H]1CN(CCCc2ccncc2)c2ccccc21)C(F)(F)F ZINC001197070641 873577650 /nfs/dbraw/zinc/57/76/50/873577650.db2.gz ZGGGYJXBSWQMDT-MRXNPFEDSA-N -1 3 377.410 3.687 20 0 GHADHM O=c1[nH]cc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c2ccccc12 ZINC001197076743 873582247 /nfs/dbraw/zinc/58/22/47/873582247.db2.gz GJYDKYOYDUFWCO-UHFFFAOYSA-N -1 3 383.879 3.617 20 0 GHADHM COCOc1ccc(F)c(C(=O)[N-]c2ccncc2Oc2ccccc2)c1F ZINC001197421732 873803914 /nfs/dbraw/zinc/80/39/14/873803914.db2.gz GUBUEPGKOBDSGL-UHFFFAOYSA-N -1 3 386.354 3.809 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC001197622864 873919819 /nfs/dbraw/zinc/91/98/19/873919819.db2.gz ODJMUZAWDYIBJX-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3nnco3)cc2)c([O-])c1 ZINC001197691015 873983852 /nfs/dbraw/zinc/98/38/52/873983852.db2.gz LTMOMJGJBFISST-UHFFFAOYSA-N -1 3 381.388 3.650 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1Cl ZINC000769363374 874000891 /nfs/dbraw/zinc/00/08/91/874000891.db2.gz VKLOQPHIYMHGLJ-UHFFFAOYSA-N -1 3 382.895 3.549 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC001197772317 874036513 /nfs/dbraw/zinc/03/65/13/874036513.db2.gz BXDRLMPYCNRQII-LBPRGKRZSA-N -1 3 382.309 3.533 20 0 GHADHM O=c1cc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)nc(-c2ccccc2)[n-]1 ZINC000858050060 882789040 /nfs/dbraw/zinc/78/90/40/882789040.db2.gz CBFODANNVDECLE-HXUWFJFHSA-N -1 3 388.471 3.775 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCOc4ccccc43)cc2)n1 ZINC000117630473 874078624 /nfs/dbraw/zinc/07/86/24/874078624.db2.gz BGGIBIMJBZMHGY-MRXNPFEDSA-N -1 3 375.428 3.640 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(N2CCCCC2)cn1 ZINC001197943551 874134618 /nfs/dbraw/zinc/13/46/18/874134618.db2.gz HYVFHLJNHZUHFG-UHFFFAOYSA-N -1 3 376.254 3.792 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000448887175 874186610 /nfs/dbraw/zinc/18/66/10/874186610.db2.gz WLDWQTJPVNXBRC-KRWDZBQOSA-N -1 3 384.234 3.981 20 0 GHADHM CCC(=O)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1 ZINC001198096961 874212265 /nfs/dbraw/zinc/21/22/65/874212265.db2.gz KZUJFVIXNYXEKL-UHFFFAOYSA-N -1 3 385.416 3.915 20 0 GHADHM CC(C)(C)C[C@@H](NC(=O)CS(=O)(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000541761223 874226429 /nfs/dbraw/zinc/22/64/29/874226429.db2.gz SXUWPMTUTDOXGZ-GOSISDBHSA-N -1 3 393.480 3.599 20 0 GHADHM C[C@H](CC(=O)N[N-]C(=O)c1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000130160124 874228288 /nfs/dbraw/zinc/22/82/88/874228288.db2.gz SPWUZAHKOQMJHE-SNVBAGLBSA-N -1 3 397.219 3.682 20 0 GHADHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000769693543 874235902 /nfs/dbraw/zinc/23/59/02/874235902.db2.gz RGUDCDBZRIOUPW-LJQANCHMSA-N -1 3 382.460 3.768 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)c([O-])c1 ZINC000769751155 874257143 /nfs/dbraw/zinc/25/71/43/874257143.db2.gz BPWQUEVOIXYESF-UHFFFAOYSA-N -1 3 395.419 3.572 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(Cc2cccc(F)c2)n1 ZINC000464651337 874259917 /nfs/dbraw/zinc/25/99/17/874259917.db2.gz WIRWVRWRZYQLDH-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM CC[C@H]1CCCN1C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769759522 874261280 /nfs/dbraw/zinc/26/12/80/874261280.db2.gz MHIVZQDUYUJQBJ-INIZCTEOSA-N -1 3 398.459 3.676 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 ZINC000769742361 874277967 /nfs/dbraw/zinc/27/79/67/874277967.db2.gz QQLNWMCZBBPRCN-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM COc1ccc(CC(=O)[N-]OCC2CCC(C(F)(F)F)CC2)cc1OC ZINC000769829161 874312968 /nfs/dbraw/zinc/31/29/68/874312968.db2.gz CCZSYHIOKFASBX-UHFFFAOYSA-N -1 3 375.387 3.663 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c([O-])c1 ZINC001198298891 874334333 /nfs/dbraw/zinc/33/43/33/874334333.db2.gz JYHHKYJSLHPGQV-UHFFFAOYSA-N -1 3 388.445 3.885 20 0 GHADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCc1cc(=O)c([O-])co1 ZINC000769880153 874348896 /nfs/dbraw/zinc/34/88/96/874348896.db2.gz RSVAKIMXCWPDIA-UHFFFAOYSA-N -1 3 385.441 3.793 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000541830143 874352494 /nfs/dbraw/zinc/35/24/94/874352494.db2.gz PZXVSMNUOVIVIU-RHSMWYFYSA-N -1 3 385.407 3.611 20 0 GHADHM CCC1(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])CCC1 ZINC000769944695 874357544 /nfs/dbraw/zinc/35/75/44/874357544.db2.gz DSGLVXCCIKRUER-UHFFFAOYSA-N -1 3 398.459 3.724 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccccc2Oc2ccccc2)nc(C2CC2)[n-]1 ZINC001198442995 874429458 /nfs/dbraw/zinc/42/94/58/874429458.db2.gz JGMIVRPFTBZULU-UHFFFAOYSA-N -1 3 383.429 3.653 20 0 GHADHM COc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1OC ZINC000004486064 874457177 /nfs/dbraw/zinc/45/71/77/874457177.db2.gz JBYSMHZDQNZSPM-SNVBAGLBSA-N -1 3 388.445 3.537 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858084222 882829920 /nfs/dbraw/zinc/82/99/20/882829920.db2.gz NOIVYXBLSYCUBI-QGZVFWFLSA-N -1 3 392.377 3.977 20 0 GHADHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(F)(F)F ZINC000775913419 874655638 /nfs/dbraw/zinc/65/56/38/874655638.db2.gz DVDVQFKJZKZBFN-VURMDHGXSA-N -1 3 378.276 3.562 20 0 GHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)c(Br)cc1F ZINC000528634316 874823435 /nfs/dbraw/zinc/82/34/35/874823435.db2.gz LVIDUHGIUUETOD-MRVPVSSYSA-N -1 3 384.224 3.951 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC001199187867 874843532 /nfs/dbraw/zinc/84/35/32/874843532.db2.gz VGKWQOBILKBYQR-UHFFFAOYSA-N -1 3 380.305 3.592 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC001199187867 874843548 /nfs/dbraw/zinc/84/35/48/874843548.db2.gz VGKWQOBILKBYQR-UHFFFAOYSA-N -1 3 380.305 3.592 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)cc21 ZINC001199424753 874962670 /nfs/dbraw/zinc/96/26/70/874962670.db2.gz DCFGSGLYVXCVCE-VIFPVBQESA-N -1 3 381.362 3.637 20 0 GHADHM CCO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(Br)c1)C1CC1 ZINC000629290338 875018426 /nfs/dbraw/zinc/01/84/26/875018426.db2.gz SBUOMQSHVSDPGE-CYBMUJFWSA-N -1 3 382.707 3.659 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCc2c(F)cccc2C1 ZINC000121533561 875028773 /nfs/dbraw/zinc/02/87/73/875028773.db2.gz ONUWCEWDDUOLAH-UHFFFAOYSA-N -1 3 379.229 3.562 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000528827160 875107801 /nfs/dbraw/zinc/10/78/01/875107801.db2.gz RNKMSTUMPHACQZ-OAHLLOKOSA-N -1 3 376.884 3.803 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1cc(F)ccc1Cl ZINC000303151285 875120804 /nfs/dbraw/zinc/12/08/04/875120804.db2.gz FKNPJKINDGRNOQ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cc([O-])cc(Br)c1 ZINC000528958332 875344981 /nfs/dbraw/zinc/34/49/81/875344981.db2.gz GOYYNKMMIVLMFB-CXAGYDPISA-N -1 3 376.250 3.662 20 0 GHADHM Cc1ncccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465299041 875447112 /nfs/dbraw/zinc/44/71/12/875447112.db2.gz RTYXLPBNGGMYDH-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccc1F ZINC001201011701 875463266 /nfs/dbraw/zinc/46/32/66/875463266.db2.gz FONVANZZJXJCFH-SECBINFHSA-N -1 3 376.222 3.767 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)N3CCc4nc[n-]c(=O)c4C3)CCCCC2)cc1 ZINC000179090588 882952744 /nfs/dbraw/zinc/95/27/44/882952744.db2.gz BNOCIDAUFIXDKM-UHFFFAOYSA-N -1 3 393.531 3.854 20 0 GHADHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)ccc2o1 ZINC001201624989 875800728 /nfs/dbraw/zinc/80/07/28/875800728.db2.gz KVAHSJLOYPNALK-UHFFFAOYSA-N -1 3 394.408 3.781 20 0 GHADHM COc1cccc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1[O-] ZINC000303588969 875845318 /nfs/dbraw/zinc/84/53/18/875845318.db2.gz LZIZNRXOVGKLOW-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2cccc(F)c2Br)c1F ZINC001201788878 875884283 /nfs/dbraw/zinc/88/42/83/875884283.db2.gz RSYFKDSIKKUJIO-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4C)OC[C@@H]3C)nc2)n1 ZINC000192661956 882979558 /nfs/dbraw/zinc/97/95/58/882979558.db2.gz XHYODJRGSAJIIO-JXFKEZNVSA-N -1 3 390.487 3.669 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)cc2)no1 ZINC000172893577 875994323 /nfs/dbraw/zinc/99/43/23/875994323.db2.gz UGWSCAJVVYSOAP-UHFFFAOYSA-N -1 3 387.461 3.881 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cnc1Cl ZINC000772569196 876029940 /nfs/dbraw/zinc/02/99/40/876029940.db2.gz RCPUNXLHJVOCAH-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C ZINC000776255223 876063843 /nfs/dbraw/zinc/06/38/43/876063843.db2.gz BKALBUBOCSDITC-AWEZNQCLSA-N -1 3 381.402 3.877 20 0 GHADHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc([O-])c(Br)c1)N2 ZINC000106899802 876270422 /nfs/dbraw/zinc/27/04/22/876270422.db2.gz RGZAOGHMVFAJAJ-KRWDZBQOSA-N -1 3 389.249 3.892 20 0 GHADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccccc1COCc1ccccc1 ZINC000265925786 876328506 /nfs/dbraw/zinc/32/85/06/876328506.db2.gz QRLZOOMEISIUCY-IBGZPJMESA-N -1 3 375.490 3.714 20 0 GHADHM O=C([N-]Cc1ccnc(Oc2ccccc2F)c1)C(F)(F)c1nccs1 ZINC000786010972 876384597 /nfs/dbraw/zinc/38/45/97/876384597.db2.gz IPKQJKBZMCHLFG-UHFFFAOYSA-N -1 3 379.363 3.878 20 0 GHADHM O=C(O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc2occc2[n-]1 ZINC000786032653 876419585 /nfs/dbraw/zinc/41/95/85/876419585.db2.gz LIEDDOOCQXZPGW-AWEZNQCLSA-N -1 3 378.306 3.742 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786033899 876421034 /nfs/dbraw/zinc/42/10/34/876421034.db2.gz UUVQZYHDAYTTFB-AWEZNQCLSA-N -1 3 392.415 3.747 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)NCC1(c2ccccc2)CC1 ZINC000786141058 876470848 /nfs/dbraw/zinc/47/08/48/876470848.db2.gz VXTUMCBTINVTCB-UHFFFAOYSA-N -1 3 381.453 3.612 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCc4ccccc43)nc(=O)c2c1C ZINC000007503459 876599923 /nfs/dbraw/zinc/59/99/23/876599923.db2.gz REOXBSCNFDJTAC-CYBMUJFWSA-N -1 3 397.500 3.984 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1 ZINC000529802442 876686093 /nfs/dbraw/zinc/68/60/93/876686093.db2.gz KXKGRDFUTPFLOZ-QFIPXVFZSA-N -1 3 389.499 3.511 20 0 GHADHM O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)[N-]OCc1ccccc1 ZINC000786741725 876895903 /nfs/dbraw/zinc/89/59/03/876895903.db2.gz ZBCATGJOETVMCS-UHFFFAOYSA-N -1 3 388.493 3.553 20 0 GHADHM C[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000786763557 876916056 /nfs/dbraw/zinc/91/60/56/876916056.db2.gz IVCNOHSLJZURRM-ZYHUDNBSSA-N -1 3 399.285 3.739 20 0 GHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000530017222 876977902 /nfs/dbraw/zinc/97/79/02/876977902.db2.gz RHLZGKFYNBVJFA-VIFPVBQESA-N -1 3 385.208 3.550 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN[C@H]2CCCCc3ccccc32)n1 ZINC000850575851 877042725 /nfs/dbraw/zinc/04/27/25/877042725.db2.gz DETCQLYAIMDOCA-SFHVURJKSA-N -1 3 398.507 3.764 20 0 GHADHM Cc1cc2c(c(C)c1)[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)CC2 ZINC000850576073 877044390 /nfs/dbraw/zinc/04/43/90/877044390.db2.gz GUMNFZPNMQEQST-QGZVFWFLSA-N -1 3 398.507 3.601 20 0 GHADHM CC[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC000850576182 877044936 /nfs/dbraw/zinc/04/49/36/877044936.db2.gz IQUZGVBEZNILKY-MRXNPFEDSA-N -1 3 390.459 3.587 20 0 GHADHM COC(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000787095654 877144286 /nfs/dbraw/zinc/14/42/86/877144286.db2.gz FMWAUVCZWZLGEQ-QGZVFWFLSA-N -1 3 393.842 3.928 20 0 GHADHM O=C(Cc1ccc(-n2cccn2)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152180569 877149693 /nfs/dbraw/zinc/14/96/93/877149693.db2.gz AXXWXXQIZNKVIB-UHFFFAOYSA-N -1 3 375.350 3.682 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000787122073 877164864 /nfs/dbraw/zinc/16/48/64/877164864.db2.gz MRLDIRUBRVYNNR-HXUWFJFHSA-N -1 3 375.415 3.718 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(COc4ccccc4)n3)n[n-]2)c1 ZINC000551435641 877187092 /nfs/dbraw/zinc/18/70/92/877187092.db2.gz PZJGMHFAXIQDPY-UHFFFAOYSA-N -1 3 398.220 3.863 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c([O-])c1 ZINC000787153124 877201259 /nfs/dbraw/zinc/20/12/59/877201259.db2.gz QFFHBTHJJWNSMA-WBVHZDCISA-N -1 3 376.497 3.720 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000451029953 877265980 /nfs/dbraw/zinc/26/59/80/877265980.db2.gz STCLLENVNHZVIR-UHFFFAOYSA-N -1 3 388.489 3.795 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2sccc2NC(=O)c2ccncc2)s1 ZINC000064309388 883116046 /nfs/dbraw/zinc/11/60/46/883116046.db2.gz ALXREBJWRCWALF-UHFFFAOYSA-N -1 3 387.490 3.698 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)OCC)cc2)cc1 ZINC000610058067 877339593 /nfs/dbraw/zinc/33/95/93/877339593.db2.gz DGPULYJWGTZRCQ-UHFFFAOYSA-N -1 3 375.490 3.936 20 0 GHADHM CCN(C(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)c1cccc(C)c1 ZINC000477433846 877643442 /nfs/dbraw/zinc/64/34/42/877643442.db2.gz BKXSXUYHJYLZLP-UHFFFAOYSA-N -1 3 390.505 3.577 20 0 GHADHM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846566 877664315 /nfs/dbraw/zinc/66/43/15/877664315.db2.gz VQEWBBDMXPSQJV-AWEZNQCLSA-N -1 3 387.407 3.627 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000787846648 877668293 /nfs/dbraw/zinc/66/82/93/877668293.db2.gz XXCWZDNBYPQYQJ-ZIAGYGMSSA-N -1 3 391.414 3.802 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000179566064 877726164 /nfs/dbraw/zinc/72/61/64/877726164.db2.gz ATSYXDAGIXWRJP-UHFFFAOYSA-N -1 3 383.279 3.934 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccccc2)sc1Cl ZINC000530491084 877923944 /nfs/dbraw/zinc/92/39/44/877923944.db2.gz LDOUHMLTRHIHMQ-CQSZACIVSA-N -1 3 381.910 3.511 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)cc1 ZINC000193470460 877958896 /nfs/dbraw/zinc/95/88/96/877958896.db2.gz YJABNQNKQURBPS-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)c([O-])c1 ZINC000530511264 877982359 /nfs/dbraw/zinc/98/23/59/877982359.db2.gz KASAWVNVZVHQTC-AWEZNQCLSA-N -1 3 375.387 3.755 20 0 GHADHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccco1 ZINC000451531744 878062333 /nfs/dbraw/zinc/06/23/33/878062333.db2.gz JWLVWAJOEYDSQW-DOMZBBRYSA-N -1 3 380.441 3.573 20 0 GHADHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(OC2CCCC2)c1 ZINC000176100118 878077234 /nfs/dbraw/zinc/07/72/34/878077234.db2.gz DCHLSUYOYISINM-UHFFFAOYSA-N -1 3 388.439 3.861 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000081660026 878089474 /nfs/dbraw/zinc/08/94/74/878089474.db2.gz XNYAKEHCJOKNNI-UHFFFAOYSA-N -1 3 375.900 3.737 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000852147604 878102056 /nfs/dbraw/zinc/10/20/56/878102056.db2.gz TWSHMADNIMZTFE-UHFFFAOYSA-N -1 3 385.899 3.722 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000615797774 878118574 /nfs/dbraw/zinc/11/85/74/878118574.db2.gz BDUHTRVDMPVHAF-UHFFFAOYSA-N -1 3 390.480 3.887 20 0 GHADHM COc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)c([O-])c1 ZINC000138334839 878226706 /nfs/dbraw/zinc/22/67/06/878226706.db2.gz FLZAMSAVTMPEDQ-UHFFFAOYSA-N -1 3 379.460 3.784 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)[C@H](C)c3ccc(C)cc3)c2)n1 ZINC000493071360 878287570 /nfs/dbraw/zinc/28/75/70/878287570.db2.gz MIRWKNUZIOTNBB-QVKFZJNVSA-N -1 3 391.471 3.823 20 0 GHADHM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000110588492 878293519 /nfs/dbraw/zinc/29/35/19/878293519.db2.gz DRJFAOKKRHOXIC-UHFFFAOYSA-N -1 3 380.473 3.694 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)s1 ZINC000176542027 878301296 /nfs/dbraw/zinc/30/12/96/878301296.db2.gz MDQDSXKQKGHKNS-SNVBAGLBSA-N -1 3 392.481 3.993 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H](C)C2(F)F)cc1 ZINC000460684900 878378874 /nfs/dbraw/zinc/37/88/74/878378874.db2.gz QNTZASMGVZMZKZ-XJKSGUPXSA-N -1 3 394.443 3.944 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)C2CC2)c(Br)c1 ZINC000451741164 878405325 /nfs/dbraw/zinc/40/53/25/878405325.db2.gz AKLHTUFUCIBSJQ-QMMMGPOBSA-N -1 3 397.132 3.597 20 0 GHADHM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1CCC[N-]C(=O)C(F)(F)F ZINC000852543834 878413675 /nfs/dbraw/zinc/41/36/75/878413675.db2.gz CYCNYZWHCCUMGC-AWEZNQCLSA-N -1 3 378.822 3.561 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccc(F)cc2)sc1Cl ZINC000788904883 878442151 /nfs/dbraw/zinc/44/21/51/878442151.db2.gz YUVOPOUMGWLDCL-GXFFZTMASA-N -1 3 377.890 3.640 20 0 GHADHM CCc1cc2c(CN3CCO[C@H](Cc4ccccc4)C3)cc(=O)oc2cc1[O-] ZINC000776607484 878468185 /nfs/dbraw/zinc/46/81/85/878468185.db2.gz DAFYRAXPIRKBCM-LJQANCHMSA-N -1 3 379.456 3.505 20 0 GHADHM Cc1nc(CCN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cs1 ZINC000852672432 878508265 /nfs/dbraw/zinc/50/82/65/878508265.db2.gz BUCNOBRZWINSBZ-IAGOWNOFSA-N -1 3 397.466 3.531 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](CCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000068490963 878631896 /nfs/dbraw/zinc/63/18/96/878631896.db2.gz TYDCEXOHOWXTFR-OAQYLSRUSA-N -1 3 376.456 3.847 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCN(C(C)C)CC3)c2)sc1C ZINC000538003998 878654328 /nfs/dbraw/zinc/65/43/28/878654328.db2.gz GWGMYPZTYMDVLN-UHFFFAOYSA-N -1 3 393.578 3.696 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@]4(CCCOC4)C3)cc2)cc(=O)[n-]1 ZINC000530864407 878658674 /nfs/dbraw/zinc/65/86/74/878658674.db2.gz CCCZUTPFVCGQOJ-NRFANRHFSA-N -1 3 382.464 3.582 20 0 GHADHM CCCCOc1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000460832582 878683094 /nfs/dbraw/zinc/68/30/94/878683094.db2.gz NSJFDJVRBRUGQW-UHFFFAOYSA-N -1 3 379.478 3.695 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OCC(F)(F)F)nc1 ZINC000530917143 878735199 /nfs/dbraw/zinc/73/51/99/878735199.db2.gz WRXDEOMEIQPAHG-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000538045131 878757017 /nfs/dbraw/zinc/75/70/17/878757017.db2.gz HUUBEWRGIPKZPP-NSHDSACASA-N -1 3 378.270 3.673 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](CC)c2ccccc2OC(F)F)s1 ZINC000460946731 878839061 /nfs/dbraw/zinc/83/90/61/878839061.db2.gz CPVDAFBZFSFATM-LLVKDONJSA-N -1 3 376.450 3.737 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000538119515 878841760 /nfs/dbraw/zinc/84/17/60/878841760.db2.gz MRUJETHMJBXVAQ-HOCLYGCPSA-N -1 3 390.263 3.941 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1F ZINC000530956116 878842274 /nfs/dbraw/zinc/84/22/74/878842274.db2.gz RRXCYUDHMDDRRW-UHFFFAOYSA-N -1 3 387.392 3.771 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)c(=O)c2c1 ZINC001183267693 912394964 /nfs/dbraw/zinc/39/49/64/912394964.db2.gz GHLMEQASOQETOS-NHCUHLMSSA-N -1 3 392.455 3.771 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)c1 ZINC000789734022 879205301 /nfs/dbraw/zinc/20/53/01/879205301.db2.gz FCTMZIRUCHNSLW-UHFFFAOYSA-N -1 3 383.267 3.546 20 0 GHADHM O=C(NCC[S@@](=O)Cc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000746885264 879502373 /nfs/dbraw/zinc/50/23/73/879502373.db2.gz DXRAKXSMSPNHPN-MUUNZHRXSA-N -1 3 395.480 3.863 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000790270316 879581680 /nfs/dbraw/zinc/58/16/80/879581680.db2.gz JDGQZIOLADFPFD-DOTOQJQBSA-N -1 3 390.528 3.663 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000531334170 879640695 /nfs/dbraw/zinc/64/06/95/879640695.db2.gz BILRNBRKIUDUEA-GFCCVEGCSA-N -1 3 379.334 3.636 20 0 GHADHM CC(C)(C)n1cc(C(=O)C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000531351654 879676447 /nfs/dbraw/zinc/67/64/47/879676447.db2.gz HJKQMERZKSUUPI-UHFFFAOYSA-N -1 3 377.444 3.756 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000493887534 879701497 /nfs/dbraw/zinc/70/14/97/879701497.db2.gz FNDNRPNMZKZGFV-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM CCCC[C@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000461432097 879845270 /nfs/dbraw/zinc/84/52/70/879845270.db2.gz VXJZCIMIGIKNFN-LBPRGKRZSA-N -1 3 395.352 3.699 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3ccccc3Cl)[n-]c(=O)c21 ZINC000140314034 879938114 /nfs/dbraw/zinc/93/81/14/879938114.db2.gz WUXFQAJPWOPUDT-JTQLQIEISA-N -1 3 389.864 3.920 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)sc3Br)nc21 ZINC000494127895 879955516 /nfs/dbraw/zinc/95/55/16/879955516.db2.gz QKYVDCLRNUVNME-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM CCc1oc(C(=O)Nc2c([O-])ccc(Br)c2C)cc1C(=O)OC ZINC000452744458 879964132 /nfs/dbraw/zinc/96/41/32/879964132.db2.gz CEFGCUNSXWKEGY-UHFFFAOYSA-N -1 3 382.210 3.657 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1coc(C2CCOCC2)n1 ZINC000452759889 879994161 /nfs/dbraw/zinc/99/41/61/879994161.db2.gz ULXMKZRRWSRHAI-UHFFFAOYSA-N -1 3 381.226 3.597 20 0 GHADHM O=S(=O)([N-]CCc1nnc(-c2ccccc2)o1)c1c(Cl)cccc1Cl ZINC000531560149 880108991 /nfs/dbraw/zinc/10/89/91/880108991.db2.gz BAOWNISVPNTYPC-UHFFFAOYSA-N -1 3 398.271 3.564 20 0 GHADHM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCN(CCCc2ccccc2)CC1 ZINC000183538274 880119604 /nfs/dbraw/zinc/11/96/04/880119604.db2.gz CTACKTUCFGLKBX-UHFFFAOYSA-N -1 3 392.421 3.590 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000854900908 880130510 /nfs/dbraw/zinc/13/05/10/880130510.db2.gz AHOPKEXTJUAVSG-UONOGXRCSA-N -1 3 394.537 3.737 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC000854951011 880170258 /nfs/dbraw/zinc/17/02/58/880170258.db2.gz YNMKYPKUPWTIKX-HXUWFJFHSA-N -1 3 392.521 3.730 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000855042631 880239375 /nfs/dbraw/zinc/23/93/75/880239375.db2.gz RMKVDQUUPFMTQQ-HUUCEWRRSA-N -1 3 380.872 3.611 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000855132739 880294727 /nfs/dbraw/zinc/29/47/27/880294727.db2.gz UQSBNRAZDVDKQS-UONOGXRCSA-N -1 3 388.489 3.736 20 0 GHADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000531772754 880459399 /nfs/dbraw/zinc/45/93/99/880459399.db2.gz ZGYBEMHUYJULAK-UHFFFAOYSA-N -1 3 392.249 3.842 20 0 GHADHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185125149 880482153 /nfs/dbraw/zinc/48/21/53/880482153.db2.gz IUHBBIPLOSEDDP-UHFFFAOYSA-N -1 3 381.860 3.579 20 0 GHADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cc2c(cc1Br)OCCO2 ZINC000185477320 880592593 /nfs/dbraw/zinc/59/25/93/880592593.db2.gz AIDSYJRLRRJVBZ-JTQLQIEISA-N -1 3 382.229 3.916 20 0 GHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(I)c1 ZINC000185933382 880734494 /nfs/dbraw/zinc/73/44/94/880734494.db2.gz TUFUIKHJRRCYBN-UHFFFAOYSA-N -1 3 391.205 3.540 20 0 GHADHM CCc1ccc(-c2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)no2)c([O-])c1 ZINC000453315145 880785241 /nfs/dbraw/zinc/78/52/41/880785241.db2.gz UWBPOYJUCOWYPI-UHFFFAOYSA-N -1 3 387.386 3.786 20 0 GHADHM O=S(=O)([N-][C@H]1CCCOc2cc(F)ccc21)c1cnc(Cl)c(Cl)c1 ZINC000776873889 880937825 /nfs/dbraw/zinc/93/78/25/880937825.db2.gz UUNCALZUHFXRPL-ZDUSSCGKSA-N -1 3 391.251 3.720 20 0 GHADHM O=C1CC[C@@H]2[C@@H](CCN2Cc2cccc([O-])c2Br)N1C1CCCC1 ZINC001275208230 912625513 /nfs/dbraw/zinc/62/55/13/912625513.db2.gz DZPFCINYIYJIQO-HZPDHXFCSA-N -1 3 393.325 3.663 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000532042585 880973340 /nfs/dbraw/zinc/97/33/40/880973340.db2.gz MITUCKLZYJEYTM-UHFFFAOYSA-N -1 3 382.445 3.997 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccccc2OC(F)F)[n-]c1-c1ccccc1 ZINC000186837396 881000402 /nfs/dbraw/zinc/00/04/02/881000402.db2.gz CAMRSUJVARIVMB-UHFFFAOYSA-N -1 3 378.400 3.960 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ccccc2OC(F)F)nc1-c1ccccc1 ZINC000186837396 881000416 /nfs/dbraw/zinc/00/04/16/881000416.db2.gz CAMRSUJVARIVMB-UHFFFAOYSA-N -1 3 378.400 3.960 20 0 GHADHM CN(C)c1cccc(CCC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000792455460 881109420 /nfs/dbraw/zinc/10/94/20/881109420.db2.gz IXJSAWQNHOUGLA-UHFFFAOYSA-N -1 3 395.272 3.835 20 0 GHADHM COc1cc(C(=O)N[C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000856319863 881121668 /nfs/dbraw/zinc/12/16/68/881121668.db2.gz VXOGGZIXFFKQOE-ROUUACIJSA-N -1 3 393.867 3.551 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC[C@H]1F ZINC000856329989 881137219 /nfs/dbraw/zinc/13/72/19/881137219.db2.gz JKXOTUVMPTXKES-IAGOWNOFSA-N -1 3 388.439 3.623 20 0 GHADHM CCCCN1CCC2(CCN(Cc3cccc([O-])c3Br)CC2)C1=O ZINC001275209837 912653247 /nfs/dbraw/zinc/65/32/47/912653247.db2.gz NAWFRHLLFOFUEN-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ncccc2[O-])c(Cl)c1 ZINC000792613606 881339670 /nfs/dbraw/zinc/33/96/70/881339670.db2.gz ROZLYDLVYWKUTR-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM COc1ccc2c(C)cc3nnc(S[C@H](C)c4nc(C)cc(=O)[n-]4)n3c2c1 ZINC000134982379 883151266 /nfs/dbraw/zinc/15/12/66/883151266.db2.gz NPBCISDSJYZPRS-GFCCVEGCSA-N -1 3 381.461 3.857 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C)nc3)cc2)cc1 ZINC000055311638 883292944 /nfs/dbraw/zinc/29/29/44/883292944.db2.gz MSOMDPKXHHAQSW-UHFFFAOYSA-N -1 3 381.457 3.752 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1ccc(Br)s1 ZINC000135538763 883434102 /nfs/dbraw/zinc/43/41/02/883434102.db2.gz HCOPIAFAWSTJMK-UHFFFAOYSA-N -1 3 385.308 3.513 20 0 GHADHM O=S(=O)([N-][C@H]1CCSc2c(F)cccc21)c1cnc(Cl)c(F)c1 ZINC000804948962 883481493 /nfs/dbraw/zinc/48/14/93/883481493.db2.gz MZLXCEZXUHXXSH-LBPRGKRZSA-N -1 3 376.837 3.529 20 0 GHADHM O=S(=O)([N-][C@H]1CC2(CCC2)Oc2ccccc21)c1cccnc1C(F)(F)F ZINC000805032673 883542927 /nfs/dbraw/zinc/54/29/27/883542927.db2.gz SYZMVKPXPDGQAS-ZDUSSCGKSA-N -1 3 398.406 3.825 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000805083380 883599829 /nfs/dbraw/zinc/59/98/29/883599829.db2.gz VXHDKCGRMGCDQM-CYBMUJFWSA-N -1 3 382.766 3.606 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1nc2ccccc2[nH]1 ZINC001130102526 883646586 /nfs/dbraw/zinc/64/65/86/883646586.db2.gz BXCLTXZSVJHKFS-VIFPVBQESA-N -1 3 395.207 3.690 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000609802038 883664234 /nfs/dbraw/zinc/66/42/34/883664234.db2.gz GTWOMWCVPWIFHL-UHFFFAOYSA-N -1 3 394.320 3.926 20 0 GHADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1ccccc1 ZINC000477174786 883840039 /nfs/dbraw/zinc/84/00/39/883840039.db2.gz BDBFVDDFFGHWBY-LJQANCHMSA-N -1 3 398.484 3.596 20 0 GHADHM CC(C)(C)OC(=O)N1CC(CCOC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000859648645 883968283 /nfs/dbraw/zinc/96/82/83/883968283.db2.gz HZTZVJMNIILFNW-UHFFFAOYSA-N -1 3 381.444 3.654 20 0 GHADHM C[C@@H](Cc1cncc2ccccc21)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000805679153 884001429 /nfs/dbraw/zinc/00/14/29/884001429.db2.gz XAMURLKATAFZCQ-AWEZNQCLSA-N -1 3 389.411 3.912 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000666873726 884013177 /nfs/dbraw/zinc/01/31/77/884013177.db2.gz ATFZKNZSQKXDPO-UHFFFAOYSA-N -1 3 390.549 3.759 20 0 GHADHM CCCCNC(=O)C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC000859787516 884062100 /nfs/dbraw/zinc/06/21/00/884062100.db2.gz WMNLHVRUWHSIMS-UHFFFAOYSA-N -1 3 384.476 3.773 20 0 GHADHM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc(Oc4cccc(F)c4)cc3)C2)nn1 ZINC000859814168 884083743 /nfs/dbraw/zinc/08/37/43/884083743.db2.gz IDKCIDCNWCRFKO-KRWDZBQOSA-N -1 3 396.422 3.745 20 0 GHADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCCSC ZINC000805828992 884141389 /nfs/dbraw/zinc/14/13/89/884141389.db2.gz FFMAEKOXVDKFNA-HOCLYGCPSA-N -1 3 390.471 3.632 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000914578452 884207220 /nfs/dbraw/zinc/20/72/20/884207220.db2.gz FHPIVIARLAIPIO-SSDOTTSWSA-N -1 3 382.618 3.831 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000476184169 884219423 /nfs/dbraw/zinc/21/94/23/884219423.db2.gz YCRJTGHAXFNMKJ-UHFFFAOYSA-N -1 3 380.244 3.999 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]Cc2nc(-c3cc4ccccc4o3)cs2)s1 ZINC000476217706 884270096 /nfs/dbraw/zinc/27/00/96/884270096.db2.gz JXYZKFAWTVCMEY-UHFFFAOYSA-N -1 3 391.499 3.800 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nn(C)c3ccccc23)c1Cl ZINC000476218125 884270496 /nfs/dbraw/zinc/27/04/96/884270496.db2.gz MDGQMUDODJFQQJ-UHFFFAOYSA-N -1 3 398.315 3.710 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000192603657 884285147 /nfs/dbraw/zinc/28/51/47/884285147.db2.gz MNKRFSFCANQVEA-QGZVFWFLSA-N -1 3 376.478 3.800 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000193130250 884369985 /nfs/dbraw/zinc/36/99/85/884369985.db2.gz UPHBCBWVFVUROH-UHFFFAOYSA-N -1 3 382.291 3.655 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Br ZINC000470444805 884396950 /nfs/dbraw/zinc/39/69/50/884396950.db2.gz HWARMNBJYVIDEO-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM C[C@H]1[C@H](C(=O)NCc2ccc([O-])c(Br)c2)CCN1c1ccccc1 ZINC000476327860 884400977 /nfs/dbraw/zinc/40/09/77/884400977.db2.gz PNYRAMSZWOKMEG-XJKSGUPXSA-N -1 3 389.293 3.686 20 0 GHADHM COc1cccc(-c2nsc(NC([O-])=Cc3cccc4ccccc34)n2)c1 ZINC000476348096 884421959 /nfs/dbraw/zinc/42/19/59/884421959.db2.gz KJTWSHSHKVXFLE-UHFFFAOYSA-N -1 3 375.453 3.970 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)s1 ZINC000533913873 884494596 /nfs/dbraw/zinc/49/45/96/884494596.db2.gz YYXDEILQUMUCGH-ZDUSSCGKSA-N -1 3 387.324 3.644 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860275143 884512877 /nfs/dbraw/zinc/51/28/77/884512877.db2.gz AHGXMEQHXDQLCS-FHLIZLRMSA-N -1 3 382.803 3.725 20 0 GHADHM CO[C@@H]1[C@H]2C[C@H]3CN(Cc4nc(=O)c5c(-c6ccco6)csc5[n-]4)[C@H]1[C@H]3C2 ZINC000286630987 912833677 /nfs/dbraw/zinc/83/36/77/912833677.db2.gz SNGRIDDZVAZIAS-WPEKQRQUSA-N -1 3 383.473 3.512 20 0 GHADHM COCc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)o1 ZINC000897964974 884530661 /nfs/dbraw/zinc/53/06/61/884530661.db2.gz LTIISQPGEVBJJR-KRWDZBQOSA-N -1 3 388.370 3.523 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccccc3COC(C)(C)C)c2c1=O ZINC000898028103 884561518 /nfs/dbraw/zinc/56/15/18/884561518.db2.gz NSQLWCUWQRAYNX-UHFFFAOYSA-N -1 3 382.464 3.620 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c(C)c1 ZINC000032594823 884575593 /nfs/dbraw/zinc/57/55/93/884575593.db2.gz VRAVZEFXHJTVFN-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM CC(C)OCc1cccc(CNC(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000918939635 884626335 /nfs/dbraw/zinc/62/63/35/884626335.db2.gz HLJFGTGMCDAGDD-UHFFFAOYSA-N -1 3 386.473 3.628 20 0 GHADHM CCCN(C)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263360281 884726442 /nfs/dbraw/zinc/72/64/42/884726442.db2.gz KDWTYOQCELCNGI-VMWRSERWSA-N -1 3 395.931 3.666 20 0 GHADHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000523131029 884727496 /nfs/dbraw/zinc/72/74/96/884727496.db2.gz DHPVWDBGGYOPAW-UHFFFAOYSA-N -1 3 396.534 3.646 20 0 GHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000523131029 884727513 /nfs/dbraw/zinc/72/75/13/884727513.db2.gz DHPVWDBGGYOPAW-UHFFFAOYSA-N -1 3 396.534 3.646 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)c1nccs1 ZINC000556398365 884775491 /nfs/dbraw/zinc/77/54/91/884775491.db2.gz IBMAXTJUWUFYEY-QMMMGPOBSA-N -1 3 395.731 3.641 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000649170944 884797123 /nfs/dbraw/zinc/79/71/23/884797123.db2.gz KSAZKDXIDIEGJX-FVQBIDKESA-N -1 3 388.464 3.545 20 0 GHADHM COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046069 884800692 /nfs/dbraw/zinc/80/06/92/884800692.db2.gz DSHZAOOPEBNMPO-JTQLQIEISA-N -1 3 385.247 3.707 20 0 GHADHM CCCOCc1ccccc1CNC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919046822 884803651 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3.620 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000919327219 885339092 /nfs/dbraw/zinc/33/90/92/885339092.db2.gz FKRJYVARBNSMDI-AWEZNQCLSA-N -1 3 399.422 3.884 20 0 GHADHM CCN(C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000919327219 885339109 /nfs/dbraw/zinc/33/91/09/885339109.db2.gz FKRJYVARBNSMDI-AWEZNQCLSA-N -1 3 399.422 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3COC[C@H]3c3ccccc3)c2)n1 ZINC000666587344 885367520 /nfs/dbraw/zinc/36/75/20/885367520.db2.gz FZYMGVYMWQLXCQ-VQTJNVASSA-N -1 3 389.455 3.780 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n[n-]2)o1 ZINC000919324392 885380296 /nfs/dbraw/zinc/38/02/96/885380296.db2.gz HPNRAFDUVQVCKR-JSGCOSHPSA-N -1 3 379.416 3.501 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)[n-]n2)o1 ZINC000919324392 885380313 /nfs/dbraw/zinc/38/03/13/885380313.db2.gz HPNRAFDUVQVCKR-JSGCOSHPSA-N -1 3 379.416 3.501 20 0 GHADHM COCc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1F ZINC000107702487 885447617 /nfs/dbraw/zinc/44/76/17/885447617.db2.gz WLFHVIPNPKUJJW-UHFFFAOYSA-N -1 3 384.281 3.819 20 0 GHADHM CCCc1sc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1CC ZINC000029687150 885462755 /nfs/dbraw/zinc/46/27/55/885462755.db2.gz PESQDIFDVKBDQI-UHFFFAOYSA-N -1 3 386.517 3.567 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 ZINC000040817195 885510083 /nfs/dbraw/zinc/51/00/83/885510083.db2.gz IJQZQQVCTUNOHO-UHFFFAOYSA-N -1 3 396.422 3.777 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC2(C)C)c(Cl)cc1Cl ZINC000747400967 885533668 /nfs/dbraw/zinc/53/36/68/885533668.db2.gz QNJSXZJTWFJMOA-UHFFFAOYSA-N -1 3 393.336 3.552 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000747403378 885542540 /nfs/dbraw/zinc/54/25/40/885542540.db2.gz YPPVMJLNTOXBKH-AWEZNQCLSA-N -1 3 388.443 3.596 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc(C)c1F ZINC000460411288 885568807 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20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000116929480 885991353 /nfs/dbraw/zinc/99/13/53/885991353.db2.gz DMOFGWDUURVEOH-KRWDZBQOSA-N -1 3 391.452 3.737 20 0 GHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000170776850 886073989 /nfs/dbraw/zinc/07/39/89/886073989.db2.gz FYKTVKJIBBPSLS-UHFFFAOYSA-N -1 3 390.530 3.668 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000808187970 886082075 /nfs/dbraw/zinc/08/20/75/886082075.db2.gz NHGBZYZOYJEFKO-KRWDZBQOSA-N -1 3 384.432 3.799 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1C ZINC000055615247 886093728 /nfs/dbraw/zinc/09/37/28/886093728.db2.gz DUDFVBISNTYEDL-UHFFFAOYSA-N -1 3 376.478 3.850 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000445271076 886109750 /nfs/dbraw/zinc/10/97/50/886109750.db2.gz ZMHPXSNCSCCQHQ-GFCCVEGCSA-N -1 3 395.415 3.866 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000118435627 886193358 /nfs/dbraw/zinc/19/33/58/886193358.db2.gz LIKPTTGBVZTZBU-HNNXBMFYSA-N -1 3 375.343 3.610 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1 ZINC000862213699 886211599 /nfs/dbraw/zinc/21/15/99/886211599.db2.gz SPSDAAHFSPOTTE-HXUWFJFHSA-N -1 3 383.492 3.547 20 0 GHADHM Cc1nnc(C(=O)[N-]c2csc(-c3ccc(Br)cc3)n2)s1 ZINC001168223025 886288944 /nfs/dbraw/zinc/28/89/44/886288944.db2.gz LSNGWGHUEFUNSN-UHFFFAOYSA-N -1 3 381.280 3.985 20 0 GHADHM CN(C)C(=O)C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)c2ccc(Cl)cc21 ZINC000556867242 886385362 /nfs/dbraw/zinc/38/53/62/886385362.db2.gz BQYODCYGZONWTJ-LLVKDONJSA-N -1 3 380.822 3.906 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)c1ccnc(C(F)(F)F)c1 ZINC000808540295 886492218 /nfs/dbraw/zinc/49/22/18/886492218.db2.gz SPLDAARZESKPFG-UHFFFAOYSA-N -1 3 385.313 3.694 20 0 GHADHM O=c1[n-]c(SC[C@H]2CC[C@@H](C(F)(F)F)O2)nc2c1cnn2-c1ccccc1 ZINC000915418701 886599250 /nfs/dbraw/zinc/59/92/50/886599250.db2.gz LPJLCWJYPJVKPM-YPMHNXCESA-N -1 3 396.394 3.723 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(F)cc1F ZINC000132099631 886679698 /nfs/dbraw/zinc/67/96/98/886679698.db2.gz MXXUDQMTDCAJAJ-SFHVURJKSA-N -1 3 378.375 3.567 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1ccccn1)c1ccc(F)cc1F ZINC000132099421 886679817 /nfs/dbraw/zinc/67/98/17/886679817.db2.gz MXXUDQMTDCAJAJ-GOSISDBHSA-N -1 3 378.375 3.567 20 0 GHADHM O=C(NCCCC1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000119505024 886695396 /nfs/dbraw/zinc/69/53/96/886695396.db2.gz CUJAWWYNHQEPLA-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM NC(=O)N1CCc2cc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])ccc21 ZINC000119620178 886792804 /nfs/dbraw/zinc/79/28/04/886792804.db2.gz BRFPSTQINHEAGL-UHFFFAOYSA-N -1 3 387.439 3.677 20 0 GHADHM CC(C)(C)C(=O)N1CCC(COC(=O)c2cccc(Br)c2[O-])CC1 ZINC000762894272 887036440 /nfs/dbraw/zinc/03/64/40/887036440.db2.gz PXMPZQUJGKCENF-UHFFFAOYSA-N -1 3 398.297 3.596 20 0 GHADHM COC(=O)c1cnc(Cl)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000863449552 887118695 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CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000644279323 913160039 /nfs/dbraw/zinc/16/00/39/913160039.db2.gz NBOXZNHWNYJTSF-SMDDNHRTSA-N -1 3 385.835 3.588 20 0 GHADHM CC(C)Cc1ncc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cn1 ZINC000794594708 887610124 /nfs/dbraw/zinc/61/01/24/887610124.db2.gz UGOBKEZTWKNZOS-SREVYHEPSA-N -1 3 396.310 3.850 20 0 GHADHM COc1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c(OC)c(C)c1OC ZINC000794613830 887679349 /nfs/dbraw/zinc/67/93/49/887679349.db2.gz OPCWVEKRLJBAFP-KTKRTIGZSA-N -1 3 381.425 3.573 20 0 GHADHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cccc([O-])c1Br ZINC000459363006 887713504 /nfs/dbraw/zinc/71/35/04/887713504.db2.gz RADXTPGYJZWGMO-UHFFFAOYSA-N -1 3 378.192 3.539 20 0 GHADHM CCOc1cc(CN2CCn3c(nnc3C3CCCC3)C2)cc(Cl)c1[O-] ZINC000459364903 887731157 /nfs/dbraw/zinc/73/11/57/887731157.db2.gz WRGYVEUKBBJNCU-UHFFFAOYSA-N -1 3 376.888 3.709 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)NCc2cccs2)c2ccccc21)C(F)(F)F ZINC000864417605 887762256 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CC(C)c1ccccc1-n1ccnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865348226 888309693 /nfs/dbraw/zinc/30/96/93/888309693.db2.gz IIOAWVDGLHSFIG-UHFFFAOYSA-N -1 3 382.489 3.856 20 0 GHADHM CC[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454277965 888332826 /nfs/dbraw/zinc/33/28/26/888332826.db2.gz WAHRLQNKOMGEDV-ZDUSSCGKSA-N -1 3 398.385 3.637 20 0 GHADHM CCO[C@H](C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)c1ccccc1 ZINC000193910647 888538843 /nfs/dbraw/zinc/53/88/43/888538843.db2.gz RSROXBPGUIQDTF-FQEVSTJZSA-N -1 3 377.444 3.716 20 0 GHADHM COC(=O)c1coc(C(=O)[N-]c2cc(-c3ccccc3Br)no2)c1 ZINC000760268782 888627248 /nfs/dbraw/zinc/62/72/48/888627248.db2.gz QLILLDHAVOGDPR-UHFFFAOYSA-N -1 3 391.177 3.736 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000123318694 888654500 /nfs/dbraw/zinc/65/45/00/888654500.db2.gz IIRIVXHRADZUAD-FQEVSTJZSA-N -1 3 395.846 3.918 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc3c(ccnc3Cl)s2)s1 ZINC000866013071 888690195 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Cc1cc(CNCc2cccc([O-])c2Br)cc(N2CCCC2)n1 ZINC000459559128 893806629 /nfs/dbraw/zinc/80/66/29/893806629.db2.gz HKQOCTLIXJISEN-UHFFFAOYSA-N -1 3 376.298 3.748 20 0 GHADHM O=C(C[C@H]1CC=CCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000934703283 893831306 /nfs/dbraw/zinc/83/13/06/893831306.db2.gz GVYXIPCKXSJKFU-AWEZNQCLSA-N -1 3 376.884 3.969 20 0 GHADHM CCOc1cc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000459573467 893843073 /nfs/dbraw/zinc/84/30/73/893843073.db2.gz QNXRMZRCTZQZQP-GFCCVEGCSA-N -1 3 380.838 3.760 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cn(-c2ccccc2)nn1 ZINC000129705014 893866874 /nfs/dbraw/zinc/86/68/74/893866874.db2.gz OHRAQULQNPGJAB-LLVKDONJSA-N -1 3 397.287 3.614 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cn(-c2ccccc2)nn1 ZINC000129704821 893867145 /nfs/dbraw/zinc/86/71/45/893867145.db2.gz OHRAQULQNPGJAB-NSHDSACASA-N -1 3 397.287 3.614 20 0 GHADHM COc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3[O-])o2)c(OC)c1 ZINC000877906708 893883764 /nfs/dbraw/zinc/88/37/64/893883764.db2.gz URKQIFROFUEHSV-QGZVFWFLSA-N -1 3 381.432 3.797 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3c(C)cc(C)c(F)c3C)CCCCCC2)no1 ZINC001185325385 913815105 /nfs/dbraw/zinc/81/51/05/913815105.db2.gz CGRVHHUJBQFDOK-UHFFFAOYSA-N -1 3 395.500 3.970 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H]2c2cccc3c2OCCO3)o1 ZINC000878042959 893975211 /nfs/dbraw/zinc/97/52/11/893975211.db2.gz LYVIHCWPPCMCOH-INIZCTEOSA-N -1 3 379.416 3.551 20 0 GHADHM O=S(=O)([N-]c1ccc2ncsc2c1Br)c1ccsc1 ZINC001185383544 913830959 /nfs/dbraw/zinc/83/09/59/913830959.db2.gz BIKCSHGDKQISBC-UHFFFAOYSA-N -1 3 375.294 3.921 20 0 GHADHM [O-]c1ccccc1-c1nnc(CNC2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000878238912 894123901 /nfs/dbraw/zinc/12/39/01/894123901.db2.gz IBTJNTBAYPYRQJ-UHFFFAOYSA-N -1 3 385.851 3.891 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001138016078 894127696 /nfs/dbraw/zinc/12/76/96/894127696.db2.gz DZOBHDGVSOXESH-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NCc3nc4c(c(=O)[n-]3)COCC4)cc2)cs1 ZINC000878354293 894217201 /nfs/dbraw/zinc/21/72/01/894217201.db2.gz IDWVWSPSSYLLDL-LBPRGKRZSA-N -1 3 382.489 3.538 20 0 GHADHM O=C(NCCCC1CCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001135213251 894233014 /nfs/dbraw/zinc/23/30/14/894233014.db2.gz IYOBREGIKIGMOY-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCc1ccccc1F ZINC000878454264 894304966 /nfs/dbraw/zinc/30/49/66/894304966.db2.gz AFSANZHPVSMEHX-CQSZACIVSA-N -1 3 387.238 3.958 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)c[n-]1 ZINC000815999914 894380744 /nfs/dbraw/zinc/38/07/44/894380744.db2.gz VSXYRLNEQQEISS-SECBINFHSA-N -1 3 395.337 3.625 20 0 GHADHM C[C@](Cc1ccccc1)(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000878717323 894531507 /nfs/dbraw/zinc/53/15/07/894531507.db2.gz WXWCFXDVUAHTFC-HSZRJFAPSA-N -1 3 375.472 3.503 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)o1 ZINC000879057358 894811447 /nfs/dbraw/zinc/81/14/47/894811447.db2.gz KCPRAWKREADUDG-QGZVFWFLSA-N -1 3 392.459 3.758 20 0 GHADHM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])ccc1Cl ZINC001135642654 894970514 /nfs/dbraw/zinc/97/05/14/894970514.db2.gz KXAZZSOZKDHVQE-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM C[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000816611641 894974173 /nfs/dbraw/zinc/97/41/73/894974173.db2.gz UKUDSLKWFHNYBM-WDEREUQCSA-N -1 3 387.823 3.580 20 0 GHADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(-c3cnn(C)c3)nc(=O)c12 ZINC000054753250 895051937 /nfs/dbraw/zinc/05/19/37/895051937.db2.gz JCNODUKZXILUAU-UHFFFAOYSA-N -1 3 393.472 3.563 20 0 GHADHM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2sccc2c([O-])c1 ZINC000816820015 895111696 /nfs/dbraw/zinc/11/16/96/895111696.db2.gz WPAGBFIPJUAXTB-UHFFFAOYSA-N -1 3 384.457 3.716 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1OC)c1ccc(C)o1 ZINC000645574853 913980584 /nfs/dbraw/zinc/98/05/84/913980584.db2.gz BUBCOYMSAJSDHC-HNNXBMFYSA-N -1 3 381.494 3.560 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cnc(OCC3CC3)cn2)s1)c1ccccc1 ZINC000565437178 895624855 /nfs/dbraw/zinc/62/48/55/895624855.db2.gz DKJOVJURUMKKFK-HNNXBMFYSA-N -1 3 395.488 3.911 20 0 GHADHM COCCC1(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826155446 895658918 /nfs/dbraw/zinc/65/89/18/895658918.db2.gz QLYRUJVEZGZSNG-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM COCCC1(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826155446 895658921 /nfs/dbraw/zinc/65/89/21/895658921.db2.gz QLYRUJVEZGZSNG-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(C2N=NC(=S)O2)cc1 ZINC000128450933 895727388 /nfs/dbraw/zinc/72/73/88/895727388.db2.gz LVBBLRXNNIHVAC-UHFFFAOYSA-N -1 3 392.234 3.746 20 0 GHADHM CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000817658723 895796839 /nfs/dbraw/zinc/79/68/39/895796839.db2.gz ITLYUHMVBDAAKK-UHFFFAOYSA-N -1 3 382.476 3.664 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2OCC(F)F)c(=O)[n-]1 ZINC000289096550 914034365 /nfs/dbraw/zinc/03/43/65/914034365.db2.gz VHRGBBZTWUNPSA-UHFFFAOYSA-N -1 3 385.798 3.668 20 0 GHADHM O=c1nc(Cn2cc([C@H]3CCCCO3)nn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000881069411 896119327 /nfs/dbraw/zinc/11/93/27/896119327.db2.gz BRNMHAIOPNGMSE-MRXNPFEDSA-N -1 3 393.472 3.945 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000818528282 896176506 /nfs/dbraw/zinc/17/65/06/896176506.db2.gz NXQBXXLTLINYSH-UHFFFAOYSA-N -1 3 375.293 3.844 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1C ZINC001136149828 896203474 /nfs/dbraw/zinc/20/34/74/896203474.db2.gz AJTRIXSGUJYJOJ-UHFFFAOYSA-N -1 3 391.427 3.891 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(NCC3CCN(CC(F)(F)F)CC3)c2c1 ZINC000566291772 896220098 /nfs/dbraw/zinc/22/00/98/896220098.db2.gz UNHTWXWUPIDRQI-UHFFFAOYSA-N -1 3 395.425 3.658 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C3CCCCC3)C2)ccc1F ZINC000819009768 896325492 /nfs/dbraw/zinc/32/54/92/896325492.db2.gz PHDVIQJZEZYDBH-UHFFFAOYSA-N -1 3 396.528 3.555 20 0 GHADHM CS[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826225547 896525407 /nfs/dbraw/zinc/52/54/07/896525407.db2.gz DZTGBWYTBKLMKH-KBPBESRZSA-N -1 3 396.520 3.645 20 0 GHADHM CS[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826225547 896525416 /nfs/dbraw/zinc/52/54/16/896525416.db2.gz DZTGBWYTBKLMKH-KBPBESRZSA-N -1 3 396.520 3.645 20 0 GHADHM O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000566774014 896561007 /nfs/dbraw/zinc/56/10/07/896561007.db2.gz OLRHIHVHAGPUMZ-UHFFFAOYSA-N -1 3 390.300 3.554 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nnn[n-]1 ZINC000826238347 896592593 /nfs/dbraw/zinc/59/25/93/896592593.db2.gz DHRFNGZBCPAUFQ-CYBMUJFWSA-N -1 3 386.891 3.665 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nn[n-]n1 ZINC000826238347 896592604 /nfs/dbraw/zinc/59/26/04/896592604.db2.gz DHRFNGZBCPAUFQ-CYBMUJFWSA-N -1 3 386.891 3.665 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@H](C)c3nccs3)c2c1 ZINC000826263954 896750126 /nfs/dbraw/zinc/75/01/26/896750126.db2.gz XHCHSANXTMTTLV-ZDUSSCGKSA-N -1 3 379.493 3.728 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@H](C)c3nccs3)c2c1 ZINC000826263954 896750140 /nfs/dbraw/zinc/75/01/40/896750140.db2.gz XHCHSANXTMTTLV-ZDUSSCGKSA-N -1 3 379.493 3.728 20 0 GHADHM Cc1c2cc(Br)ccc2sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001137177650 896765252 /nfs/dbraw/zinc/76/52/52/896765252.db2.gz UZHSJJGYMKQRBM-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM COc1cc2c(cc1OC)[C@H](NC(=O)c1c[n-]c3ccccc3c1=O)CCCC2 ZINC000882408422 896793464 /nfs/dbraw/zinc/79/34/64/896793464.db2.gz FUOGWMDLSHHCPU-LJQANCHMSA-N -1 3 392.455 3.743 20 0 GHADHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567122543 896892800 /nfs/dbraw/zinc/89/28/00/896892800.db2.gz KFGACVROCKKLJN-MRXNPFEDSA-N -1 3 377.366 3.960 20 0 GHADHM Cc1ccc(CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826286645 896962881 /nfs/dbraw/zinc/96/28/81/896962881.db2.gz KKWZJYKJSFCOBE-UHFFFAOYSA-N -1 3 389.484 3.763 20 0 GHADHM Cc1ccc(CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000826286645 896962889 /nfs/dbraw/zinc/96/28/89/896962889.db2.gz KKWZJYKJSFCOBE-UHFFFAOYSA-N -1 3 389.484 3.763 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]cnc(=N[C@@H](C)[C@@H](c3ccccc3C)N(C)C)c12 ZINC000567275486 897026377 /nfs/dbraw/zinc/02/63/77/897026377.db2.gz MMXJIRDRMLSLLB-BBRMVZONSA-N -1 3 384.505 3.532 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1Cl ZINC000567391781 897111720 /nfs/dbraw/zinc/11/17/20/897111720.db2.gz SOFZMEVYPJZDMV-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820099564 897156112 /nfs/dbraw/zinc/15/61/12/897156112.db2.gz LYQVWVJGZMUXEC-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820099564 897156116 /nfs/dbraw/zinc/15/61/16/897156116.db2.gz LYQVWVJGZMUXEC-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820214234 897220551 /nfs/dbraw/zinc/22/05/51/897220551.db2.gz ZQASGKOXCHAVQY-UHFFFAOYSA-N -1 3 399.813 3.867 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820217842 897245500 /nfs/dbraw/zinc/24/55/00/897245500.db2.gz DEVIKECMGVGVAP-UHFFFAOYSA-N -1 3 381.823 3.727 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342851 897281592 /nfs/dbraw/zinc/28/15/92/897281592.db2.gz WVGZTMULYKUDRB-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342851 897281606 /nfs/dbraw/zinc/28/16/06/897281606.db2.gz WVGZTMULYKUDRB-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc2c(c1)OCCO2 ZINC001136343999 897356264 /nfs/dbraw/zinc/35/62/64/897356264.db2.gz QJIQFZLFZVREMP-MRXNPFEDSA-N -1 3 398.846 3.834 20 0 GHADHM Cc1cccnc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826308241 897392925 /nfs/dbraw/zinc/39/29/25/897392925.db2.gz PROYVATWCGVHTH-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cccnc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826308241 897392941 /nfs/dbraw/zinc/39/29/41/897392941.db2.gz PROYVATWCGVHTH-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c1[O-] ZINC000567954971 897505449 /nfs/dbraw/zinc/50/54/49/897505449.db2.gz RHESZVPBMUCASH-AWEZNQCLSA-N -1 3 386.473 3.602 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC001136374972 897514220 /nfs/dbraw/zinc/51/42/20/897514220.db2.gz YBRVDRWVQWXGMP-UHFFFAOYSA-N -1 3 383.429 3.608 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000820794042 897553708 /nfs/dbraw/zinc/55/37/08/897553708.db2.gz NRJNDRBZQGYHOH-YOEHRIQHSA-N -1 3 388.514 3.601 20 0 GHADHM CC=C(C=CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)CC ZINC000820833267 897573439 /nfs/dbraw/zinc/57/34/39/897573439.db2.gz VGSAWDDJHMBODF-GBNOFXTISA-N -1 3 380.477 3.765 20 0 GHADHM CC=C(C=CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)CC ZINC000820833267 897573449 /nfs/dbraw/zinc/57/34/49/897573449.db2.gz VGSAWDDJHMBODF-GBNOFXTISA-N -1 3 380.477 3.765 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCC(F)(F)C3)s2)cs1 ZINC000568103017 897596669 /nfs/dbraw/zinc/59/66/69/897596669.db2.gz DAIOIZYUUZTLFZ-SNVBAGLBSA-N -1 3 378.491 3.894 20 0 GHADHM CCN(C(=O)/C=C/SCc1ccco1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149336 897764366 /nfs/dbraw/zinc/76/43/66/897764366.db2.gz VOENYTWVOWRAJA-WONIAPNHSA-N -1 3 383.477 3.816 20 0 GHADHM CCN(C(=O)/C=C/SCc1ccco1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149336 897764376 /nfs/dbraw/zinc/76/43/76/897764376.db2.gz VOENYTWVOWRAJA-WONIAPNHSA-N -1 3 383.477 3.816 20 0 GHADHM Cc1nc([C@H](C)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)oc1-c1ccc(Cl)cc1 ZINC000289454332 914196206 /nfs/dbraw/zinc/19/62/06/914196206.db2.gz PJADGGRQVDZDRE-JSGCOSHPSA-N -1 3 387.871 3.655 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccc(OC)cc2)o1 ZINC000821411856 897866901 /nfs/dbraw/zinc/86/69/01/897866901.db2.gz CCMQMDKWEZKFIK-UHFFFAOYSA-N -1 3 392.419 3.541 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccc(OC)cc2)o1 ZINC000821411856 897866906 /nfs/dbraw/zinc/86/69/06/897866906.db2.gz CCMQMDKWEZKFIK-UHFFFAOYSA-N -1 3 392.419 3.541 20 0 GHADHM COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752747 897884362 /nfs/dbraw/zinc/88/43/62/897884362.db2.gz WBIYVULSSNPKMT-VIFPVBQESA-N -1 3 399.230 3.601 20 0 GHADHM Cn1cnnc1Sc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1Cl ZINC001136473199 897984137 /nfs/dbraw/zinc/98/41/37/897984137.db2.gz DPTMSAAZTSHZOZ-UHFFFAOYSA-N -1 3 392.843 3.646 20 0 GHADHM C[C@@]1(F)CCN(C(=O)CCCCCCCNC(=O)c2ccccc2[O-])C[C@@H]1F ZINC001185930693 914211093 /nfs/dbraw/zinc/21/10/93/914211093.db2.gz KMUJXENJMOHBHE-GHTZIAJQSA-N -1 3 396.478 3.761 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccc2n[nH]cc2c1 ZINC001185930606 914211611 /nfs/dbraw/zinc/21/16/11/914211611.db2.gz XZKWBBLBOWRXKG-UHFFFAOYSA-N -1 3 394.475 3.978 20 0 GHADHM Clc1cccc(SCc2ccc(Br)cn2)c1-c1nnn[n-]1 ZINC000826353670 898026592 /nfs/dbraw/zinc/02/65/92/898026592.db2.gz ZDIVDZIXHZHTLQ-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cccc(SCc2ccc(Br)cn2)c1-c1nn[n-]n1 ZINC000826353670 898026600 /nfs/dbraw/zinc/02/66/00/898026600.db2.gz ZDIVDZIXHZHTLQ-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM COCc1nc(C)cc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000821696110 898032073 /nfs/dbraw/zinc/03/20/73/898032073.db2.gz WUZOJBOTHDNXDD-UHFFFAOYSA-N -1 3 389.419 3.647 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1OC(F)(F)F)c1ccc2n[nH]cc2c1 ZINC001185991659 914219060 /nfs/dbraw/zinc/21/90/60/914219060.db2.gz VTILBTYZEGBFTN-UHFFFAOYSA-N -1 3 391.758 3.916 20 0 GHADHM O=C([N-]N1CCCCC1=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000106763421 898292576 /nfs/dbraw/zinc/29/25/76/898292576.db2.gz AOGUXBIDYILPGR-UHFFFAOYSA-N -1 3 384.379 3.971 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822477395 898397939 /nfs/dbraw/zinc/39/79/39/898397939.db2.gz LFEGGDCASSHZJC-LLVKDONJSA-N -1 3 380.843 3.582 20 0 GHADHM Cc1nccn1-c1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822477395 898397955 /nfs/dbraw/zinc/39/79/55/898397955.db2.gz LFEGGDCASSHZJC-LLVKDONJSA-N -1 3 380.843 3.582 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000800081370 898569892 /nfs/dbraw/zinc/56/98/92/898569892.db2.gz IHPADMGGNCYODI-HWOXTHGCSA-N -1 3 391.464 3.799 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc(I)cc2[O-])c1O ZINC001296282228 914264893 /nfs/dbraw/zinc/26/48/93/914264893.db2.gz IIRJQRRUQMXCAP-UHFFFAOYSA-N -1 3 383.185 3.517 20 0 GHADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001136622135 898596105 /nfs/dbraw/zinc/59/61/05/898596105.db2.gz ZDLZYLKHOVLKAG-UHFFFAOYSA-N -1 3 378.363 3.639 20 0 GHADHM O=C([N-]c1ccccc1SC[C@@H]1CC1(Cl)Cl)c1nc2ncccn2n1 ZINC000822746221 898605399 /nfs/dbraw/zinc/60/53/99/898605399.db2.gz VKPJZZAXNWIVDH-JTQLQIEISA-N -1 3 394.287 3.663 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)N1CCCC[C@H]1C ZINC001136652925 898735442 /nfs/dbraw/zinc/73/54/42/898735442.db2.gz GXZVYURHYWTUBY-CVEARBPZSA-N -1 3 382.460 3.704 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1SCC(F)(F)F ZINC000823108774 898830840 /nfs/dbraw/zinc/83/08/40/898830840.db2.gz SDSAZIDWGGBGNP-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1SCC(F)(F)F ZINC000823108774 898830851 /nfs/dbraw/zinc/83/08/51/898830851.db2.gz SDSAZIDWGGBGNP-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646200717 914319630 /nfs/dbraw/zinc/31/96/30/914319630.db2.gz KFRQBSXCJWNXSF-LSDHHAIUSA-N -1 3 397.475 3.502 20 0 GHADHM CCCNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1Cl ZINC000570558831 899387198 /nfs/dbraw/zinc/38/71/98/899387198.db2.gz GNPGETICJMRVKT-UHFFFAOYSA-N -1 3 386.926 3.526 20 0 GHADHM CCc1sc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1Br ZINC000824155203 899430714 /nfs/dbraw/zinc/43/07/14/899430714.db2.gz YZXOKUCWIZKNHY-UHFFFAOYSA-N -1 3 384.299 3.542 20 0 GHADHM CC(C)COCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270380 899477647 /nfs/dbraw/zinc/47/76/47/899477647.db2.gz DQTHCBDWZROVNU-INIZCTEOSA-N -1 3 393.491 3.774 20 0 GHADHM CC(C)COCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824270380 899477651 /nfs/dbraw/zinc/47/76/51/899477651.db2.gz DQTHCBDWZROVNU-INIZCTEOSA-N -1 3 393.491 3.774 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000824249596 899493994 /nfs/dbraw/zinc/49/39/94/899493994.db2.gz PQUQBHZRMTUNAS-UHFFFAOYSA-N -1 3 394.317 3.661 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000824249596 899494002 /nfs/dbraw/zinc/49/40/02/899494002.db2.gz PQUQBHZRMTUNAS-UHFFFAOYSA-N -1 3 394.317 3.661 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000824379099 899572591 /nfs/dbraw/zinc/57/25/91/899572591.db2.gz GFIJCUAACMTJRC-UHFFFAOYSA-N -1 3 391.443 3.599 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](N2CCCC2=O)CC1 ZINC000570780795 899585488 /nfs/dbraw/zinc/58/54/88/899585488.db2.gz BHDFMWSOBWGKQN-FQEVSTJZSA-N -1 3 392.499 3.600 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824522677 899658281 /nfs/dbraw/zinc/65/82/81/899658281.db2.gz TXQLYSONDSBGLE-GFCCVEGCSA-N -1 3 382.493 3.643 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824522677 899658288 /nfs/dbraw/zinc/65/82/88/899658288.db2.gz TXQLYSONDSBGLE-GFCCVEGCSA-N -1 3 382.493 3.643 20 0 GHADHM O=C([C@@H]1CCc2c1cccc2Cl)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826398818 899679123 /nfs/dbraw/zinc/67/91/23/899679123.db2.gz GVNPPHDPICZVFQ-GOSISDBHSA-N -1 3 393.878 3.741 20 0 GHADHM O=C([C@@H]1CCc2c1cccc2Cl)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826398818 899679129 /nfs/dbraw/zinc/67/91/29/899679129.db2.gz GVNPPHDPICZVFQ-GOSISDBHSA-N -1 3 393.878 3.741 20 0 GHADHM C[C@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824539593 899699915 /nfs/dbraw/zinc/69/99/15/899699915.db2.gz OMFDZSNRVRXPOY-SCLBCKFNSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@H](N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539593 899699919 /nfs/dbraw/zinc/69/99/19/899699919.db2.gz OMFDZSNRVRXPOY-SCLBCKFNSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1sccc1Br ZINC000824611788 899721320 /nfs/dbraw/zinc/72/13/20/899721320.db2.gz DYLSWJGUIRVAFG-MRVPVSSYSA-N -1 3 382.262 3.681 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000571054367 899726323 /nfs/dbraw/zinc/72/63/23/899726323.db2.gz IDADWKYWPOXNOM-UHFFFAOYSA-N -1 3 384.867 3.928 20 0 GHADHM C[C@@H](NCc1nccn1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824632727 899728716 /nfs/dbraw/zinc/72/87/16/899728716.db2.gz CMNROJNOTOWDOJ-QGZVFWFLSA-N -1 3 387.491 3.547 20 0 GHADHM C[C@H](NCc1nccn1C(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824633861 899730761 /nfs/dbraw/zinc/73/07/61/899730761.db2.gz QWVODPIAZNPVEC-ZDUSSCGKSA-N -1 3 395.417 3.976 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OCC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824728399 899790290 /nfs/dbraw/zinc/79/02/90/899790290.db2.gz FYOKATBBLXEJNC-CABCVRRESA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OCC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824728399 899790302 /nfs/dbraw/zinc/79/03/02/899790302.db2.gz FYOKATBBLXEJNC-CABCVRRESA-N -1 3 391.475 3.526 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000824753108 899807701 /nfs/dbraw/zinc/80/77/01/899807701.db2.gz CJJZRIVAKXOYCQ-LLVKDONJSA-N -1 3 399.442 3.769 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000824753108 899807707 /nfs/dbraw/zinc/80/77/07/899807707.db2.gz CJJZRIVAKXOYCQ-LLVKDONJSA-N -1 3 399.442 3.769 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826404224 899832547 /nfs/dbraw/zinc/83/25/47/899832547.db2.gz SXDKLQBEFMQLAZ-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826404224 899832552 /nfs/dbraw/zinc/83/25/52/899832552.db2.gz SXDKLQBEFMQLAZ-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000332724889 899869542 /nfs/dbraw/zinc/86/95/42/899869542.db2.gz YEPXDNXHNXNIFF-UHFFFAOYSA-N -1 3 383.448 3.760 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1F)c1ccc2nsnc2c1 ZINC001186263063 914398431 /nfs/dbraw/zinc/39/84/31/914398431.db2.gz KBZZFUMUNGPWCH-UHFFFAOYSA-N -1 3 378.237 3.938 20 0 GHADHM CC[C@H]1C[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825182368 900014332 /nfs/dbraw/zinc/01/43/32/900014332.db2.gz IMRIESKVZHMLMV-LPHOPBHVSA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@H]1C[C@@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825182368 900014345 /nfs/dbraw/zinc/01/43/45/900014345.db2.gz IMRIESKVZHMLMV-LPHOPBHVSA-N -1 3 394.431 3.773 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(C)n1Cc1ccccc1 ZINC000825298453 900078785 /nfs/dbraw/zinc/07/87/85/900078785.db2.gz RDEOJOLPUXJBAO-UHFFFAOYSA-N -1 3 390.487 3.846 20 0 GHADHM COc1cccc([C@@]2(C)CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)c1 ZINC000825354373 900119526 /nfs/dbraw/zinc/11/95/26/900119526.db2.gz MRWAEJGJVLYQFE-QFIPXVFZSA-N -1 3 398.409 3.619 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NC1(c2ccccc2)CCC1 ZINC000826420852 900229491 /nfs/dbraw/zinc/22/94/91/900229491.db2.gz FZCGMIZUSINVLJ-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NC1(c2ccccc2)CCC1 ZINC000826420852 900229504 /nfs/dbraw/zinc/22/95/04/900229504.db2.gz FZCGMIZUSINVLJ-UHFFFAOYSA-N -1 3 399.907 3.808 20 0 GHADHM CCCCc1ncc(CN2CCC[C@H](CO)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748567 900475623 /nfs/dbraw/zinc/47/56/23/900475623.db2.gz SJVHXVNMTKAIAJ-IBGZPJMESA-N -1 3 399.535 3.567 20 0 GHADHM O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cc([O-])ccc1Cl ZINC000573648267 900587343 /nfs/dbraw/zinc/58/73/43/900587343.db2.gz WTPXPDYSVBJYLF-UHFFFAOYSA-N -1 3 398.640 3.509 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000574762946 900999650 /nfs/dbraw/zinc/99/96/50/900999650.db2.gz BINVBKWDQQEQNP-KOSHJBKYSA-N -1 3 394.515 3.734 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1)c1ccccc1 ZINC000575366109 901212738 /nfs/dbraw/zinc/21/27/38/901212738.db2.gz MTWPGCLUSHBICI-OAHLLOKOSA-N -1 3 375.428 3.521 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc3nc(C)sc3c1)c2=O ZINC000576722073 902217181 /nfs/dbraw/zinc/21/71/81/902217181.db2.gz UFMNJSWTDDBOEX-UHFFFAOYSA-N -1 3 383.404 3.846 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001144527391 902330739 /nfs/dbraw/zinc/33/07/39/902330739.db2.gz HPOZPNNWFZZVES-UHFFFAOYSA-N -1 3 391.924 3.934 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nccn1-c1ccccc1 ZINC000576968705 902393254 /nfs/dbraw/zinc/39/32/54/902393254.db2.gz GNFSPOKTEJWJIQ-LBPRGKRZSA-N -1 3 379.844 3.704 20 0 GHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001186539847 914627040 /nfs/dbraw/zinc/62/70/40/914627040.db2.gz GGMVQZLIQDIMOU-QGZVFWFLSA-N -1 3 393.480 3.692 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@@]1(F)Cl ZINC000845978312 902561164 /nfs/dbraw/zinc/56/11/64/902561164.db2.gz YUWAJRQYPAEQNY-STQMWFEESA-N -1 3 392.226 3.924 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000128050941 902599299 /nfs/dbraw/zinc/59/92/99/902599299.db2.gz DCMVVCRRSAQOLU-CQSZACIVSA-N -1 3 399.516 3.706 20 0 GHADHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccs1 ZINC000577249015 902617935 /nfs/dbraw/zinc/61/79/35/902617935.db2.gz WWHHZBPURSAPLF-AWEZNQCLSA-N -1 3 377.890 3.579 20 0 GHADHM Brc1cccc(-c2nc(-c3noc([C@@H]4CCCSC4)n3)n[n-]2)c1 ZINC000577251011 902619355 /nfs/dbraw/zinc/61/93/55/902619355.db2.gz REENOQJDHFJYRX-SNVBAGLBSA-N -1 3 392.282 3.895 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000577261996 902628103 /nfs/dbraw/zinc/62/81/03/902628103.db2.gz WGSXGYJSNWMXDU-KRWDZBQOSA-N -1 3 399.340 3.573 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(CCc2ccccc2)CC1 ZINC000577285003 902646776 /nfs/dbraw/zinc/64/67/76/902646776.db2.gz GWQDCZSOHXPQCK-GOSISDBHSA-N -1 3 394.515 3.734 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000846244774 902820443 /nfs/dbraw/zinc/82/04/43/902820443.db2.gz VNBZLANKVDFAPA-ZBWUASRJSA-N -1 3 395.455 3.772 20 0 GHADHM CC(C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000121542105 902845752 /nfs/dbraw/zinc/84/57/52/902845752.db2.gz FGIMHPVZKHSCMM-UHFFFAOYSA-N -1 3 384.860 3.760 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCc1ccccc1COCc1ccccc1 ZINC000577597192 902933710 /nfs/dbraw/zinc/93/37/10/902933710.db2.gz QHAXITAYRIBCNK-UHFFFAOYSA-N -1 3 386.455 3.795 20 0 GHADHM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000846445074 902975398 /nfs/dbraw/zinc/97/53/98/902975398.db2.gz YCUGEOPUKBGSMJ-YOEHRIQHSA-N -1 3 394.487 3.616 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000846705334 903155514 /nfs/dbraw/zinc/15/55/14/903155514.db2.gz VWVCEPYMSJNNHO-RDJZCZTQSA-N -1 3 398.507 3.727 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN[C@H](CCF)C(=O)[O-] ZINC000846782392 903199443 /nfs/dbraw/zinc/19/94/43/903199443.db2.gz HZNLXBGSQYYDSC-CYBMUJFWSA-N -1 3 393.768 3.755 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001144967641 903291780 /nfs/dbraw/zinc/29/17/80/903291780.db2.gz VSNAGULEFWXVEY-UHFFFAOYSA-N -1 3 387.443 3.673 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)n1 ZINC000646608313 914716674 /nfs/dbraw/zinc/71/66/74/914716674.db2.gz RIZSSUQCDQKAFW-UHFFFAOYSA-N -1 3 380.429 3.961 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC001146713382 903590973 /nfs/dbraw/zinc/59/09/73/903590973.db2.gz ZKRBTMLGUIPSLL-HUUCEWRRSA-N -1 3 376.497 3.986 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001146821986 903606399 /nfs/dbraw/zinc/60/63/99/903606399.db2.gz JKSWXQNITNTDSC-ZDUSSCGKSA-N -1 3 380.366 3.608 20 0 GHADHM CN(Cc1ccccc1OCc1ccccc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC001171321873 903994721 /nfs/dbraw/zinc/99/47/21/903994721.db2.gz VBURUHIDQHLLSN-UHFFFAOYSA-N -1 3 391.423 3.972 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(OC)c2[O-])c(OC(F)(F)F)c1 ZINC001148203022 904014373 /nfs/dbraw/zinc/01/43/73/904014373.db2.gz WRSHUNAQDZVGOE-UHFFFAOYSA-N -1 3 399.321 3.728 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H]3CCCOC3)cc2)cc(=O)[n-]1 ZINC000578745826 904095729 /nfs/dbraw/zinc/09/57/29/904095729.db2.gz INNRXGXMSBCNOA-VQIMIIECSA-N -1 3 382.464 3.581 20 0 GHADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000578809549 904140700 /nfs/dbraw/zinc/14/07/00/904140700.db2.gz UOQKHOBXLWNBAT-UHFFFAOYSA-N -1 3 382.913 3.970 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)s1 ZINC001148698919 904158615 /nfs/dbraw/zinc/15/86/15/904158615.db2.gz XQACKGZYSWOACE-NWDGAFQWSA-N -1 3 383.539 3.990 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2ccc([O-])c(C(C)=O)c2)cc1C(F)(F)F ZINC001148664869 904163851 /nfs/dbraw/zinc/16/38/51/904163851.db2.gz SWMORWMBNIWSLN-UHFFFAOYSA-N -1 3 381.306 3.653 20 0 GHADHM CC(C)(C)[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001186800043 914786581 /nfs/dbraw/zinc/78/65/81/914786581.db2.gz LXAXGIUDRLDVDI-KRWDZBQOSA-N -1 3 387.423 3.876 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(=O)[n-]1 ZINC000153112140 904331596 /nfs/dbraw/zinc/33/15/96/904331596.db2.gz OVVMOHMUMNIPQI-GOSISDBHSA-N -1 3 395.425 3.852 20 0 GHADHM Cc1ccc(NCCc2ccc(OCc3ccccn3)cc2)cc1-c1nnn[n-]1 ZINC001171427830 904582798 /nfs/dbraw/zinc/58/27/98/904582798.db2.gz MHUZTKOQZDUXQZ-UHFFFAOYSA-N -1 3 386.459 3.804 20 0 GHADHM Cc1ccc(NCCc2ccc(OCc3ccccn3)cc2)cc1-c1nn[n-]n1 ZINC001171427830 904582804 /nfs/dbraw/zinc/58/28/04/904582804.db2.gz MHUZTKOQZDUXQZ-UHFFFAOYSA-N -1 3 386.459 3.804 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000579553638 904697555 /nfs/dbraw/zinc/69/75/55/904697555.db2.gz AHGPXUCSKKPXSV-VQTJNVASSA-N -1 3 392.499 3.697 20 0 GHADHM CCSc1cccc(Br)c1[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC000579586132 904721317 /nfs/dbraw/zinc/72/13/17/904721317.db2.gz YZGAXDIVPLHSKR-UHFFFAOYSA-N -1 3 395.278 3.980 20 0 GHADHM O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[N-]OC[C@@H]1CCOC1 ZINC000187969784 904857038 /nfs/dbraw/zinc/85/70/38/904857038.db2.gz GGGCAPNYWWWCNT-OAHLLOKOSA-N -1 3 382.435 3.991 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000188184777 904887236 /nfs/dbraw/zinc/88/72/36/904887236.db2.gz NVCAEYZGOOTLEK-UHFFFAOYSA-N -1 3 397.258 3.896 20 0 GHADHM O=C(NCCSCCC(F)(F)F)c1c[n-]c2c(Cl)cccc2c1=O ZINC001171702590 904937355 /nfs/dbraw/zinc/93/73/55/904937355.db2.gz XMWVVQFZBWJBQX-UHFFFAOYSA-N -1 3 378.803 3.597 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000189695791 905258271 /nfs/dbraw/zinc/25/82/71/905258271.db2.gz HIITVVBFWLBBLQ-LJQANCHMSA-N -1 3 399.454 3.681 20 0 GHADHM COCCCOC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000174719252 905330659 /nfs/dbraw/zinc/33/06/59/905330659.db2.gz QMMUZGVWZVBZGI-UHFFFAOYSA-N -1 3 383.488 3.641 20 0 GHADHM O=C(CC[C@H]1CCCCO1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766252 905662382 /nfs/dbraw/zinc/66/23/82/905662382.db2.gz MFICWPAABUPCED-MRXNPFEDSA-N -1 3 394.899 3.572 20 0 GHADHM Cc1ccc(CN2CC[C@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000190196709 905848638 /nfs/dbraw/zinc/84/86/38/905848638.db2.gz VFIUXNXXWVSOJM-RYFGYPJOSA-N -1 3 387.277 3.683 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000176629368 905899437 /nfs/dbraw/zinc/89/94/37/905899437.db2.gz PWHTUDFCBDOCOA-UHFFFAOYSA-N -1 3 376.815 3.676 20 0 GHADHM [O-]c1cncc(-c2nc(-c3cc(Cl)cc(I)c3)no2)c1 ZINC001212708300 906234794 /nfs/dbraw/zinc/23/47/94/906234794.db2.gz CWQPZVMIQBZCDQ-UHFFFAOYSA-N -1 3 399.575 3.762 20 0 GHADHM CCC(F)(F)C(C)(C)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000628880707 906346800 /nfs/dbraw/zinc/34/68/00/906346800.db2.gz AUBVRVOPSYAYCO-UHFFFAOYSA-N -1 3 395.406 3.742 20 0 GHADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1n[nH]c2c1CCCCC2 ZINC000190844320 906353093 /nfs/dbraw/zinc/35/30/93/906353093.db2.gz TXQPWDLSYHCEQE-CQSZACIVSA-N -1 3 391.258 3.947 20 0 GHADHM CCOCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCc2ccccc21 ZINC000628951881 906383373 /nfs/dbraw/zinc/38/33/73/906383373.db2.gz BXVDTZUUKTWBMI-OAQYLSRUSA-N -1 3 376.456 3.694 20 0 GHADHM O=C([C@@H](Cc1ccccc1)NCc1c([O-])ccc(Cl)c1F)N1CCCC1 ZINC000190913584 906422096 /nfs/dbraw/zinc/42/20/96/906422096.db2.gz JXVVWGYFCSJYRW-QGZVFWFLSA-N -1 3 376.859 3.508 20 0 GHADHM Cc1nc(C2(NCc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CCCC2)no1 ZINC000299322973 921292092 /nfs/dbraw/zinc/29/20/92/921292092.db2.gz PKEFRXWIYJAZKV-UHFFFAOYSA-N -1 3 397.460 3.907 20 0 GHADHM CSc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Br ZINC000630020982 907097908 /nfs/dbraw/zinc/09/79/08/907097908.db2.gz PWGOPUGGLYKGMR-UHFFFAOYSA-N -1 3 396.310 3.855 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cccc4[nH]ccc43)c2)ccc1O ZINC001174649121 907150717 /nfs/dbraw/zinc/15/07/17/907150717.db2.gz UJHSUYLWCWBBCQ-UHFFFAOYSA-N -1 3 395.440 3.738 20 0 GHADHM CCOc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)[n-]1 ZINC001174736330 907183188 /nfs/dbraw/zinc/18/31/88/907183188.db2.gz JKBBNELUGVNHRJ-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM CCOc1nc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n[n-]1 ZINC001174736330 907183198 /nfs/dbraw/zinc/18/31/98/907183198.db2.gz JKBBNELUGVNHRJ-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1 ZINC001174736330 907183203 /nfs/dbraw/zinc/18/32/03/907183203.db2.gz JKBBNELUGVNHRJ-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM CCOc1nnc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)[n-]1 ZINC001174744634 907204319 /nfs/dbraw/zinc/20/43/19/907204319.db2.gz HHWGAEQKKRPZAE-UHFFFAOYSA-N -1 3 394.460 3.624 20 0 GHADHM CCOc1nc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)n[n-]1 ZINC001174744634 907204334 /nfs/dbraw/zinc/20/43/34/907204334.db2.gz HHWGAEQKKRPZAE-UHFFFAOYSA-N -1 3 394.460 3.624 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)n1 ZINC001174744634 907204351 /nfs/dbraw/zinc/20/43/51/907204351.db2.gz HHWGAEQKKRPZAE-UHFFFAOYSA-N -1 3 394.460 3.624 20 0 GHADHM COC(=O)c1cc(Nc2c(F)cc([O-])cc2F)c(Br)cc1OC ZINC001175099547 907357433 /nfs/dbraw/zinc/35/74/33/907357433.db2.gz MGNYJKSRMVQTDB-UHFFFAOYSA-N -1 3 388.164 3.972 20 0 GHADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000630731960 907377240 /nfs/dbraw/zinc/37/72/40/907377240.db2.gz OXGHLMSYELCVAP-SECBINFHSA-N -1 3 383.267 3.676 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(OC(C)C)c(C)c1)OCC ZINC001175191973 907405146 /nfs/dbraw/zinc/40/51/46/907405146.db2.gz IJWWWGZSVIPVML-UHFFFAOYSA-N -1 3 375.469 3.963 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cccc(O[C@H]3CCCCO3)c2)cc1Cl ZINC001175185757 907426256 /nfs/dbraw/zinc/42/62/56/907426256.db2.gz JMDBLEVBKUNBKP-KRWDZBQOSA-N -1 3 382.869 3.628 20 0 GHADHM [O-]c1ccc(F)c(Nc2ncc(Br)nc2Br)c1F ZINC001175260843 907474389 /nfs/dbraw/zinc/47/43/89/907474389.db2.gz CVOPGOZDRHDUMX-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM O=C(N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)c1cc([O-])ccc1Cl ZINC001175365957 907520625 /nfs/dbraw/zinc/52/06/25/907520625.db2.gz QFAUAQCVBUSQDA-NUEKZKHPSA-N -1 3 378.653 3.876 20 0 GHADHM COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001175429707 907548879 /nfs/dbraw/zinc/54/88/79/907548879.db2.gz NSQDHBHOQUTODS-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430755 907550973 /nfs/dbraw/zinc/55/09/73/907550973.db2.gz WWWOADVRWKINLP-UHFFFAOYSA-N -1 3 396.451 3.514 20 0 GHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(C)c1I ZINC001175432574 907552120 /nfs/dbraw/zinc/55/21/20/907552120.db2.gz IQACDUMLJIEGNR-UHFFFAOYSA-N -1 3 391.216 3.832 20 0 GHADHM COc1ccc([C@@H]2CCN(Cc3cn(-c4ccccc4)nc3C(=O)[O-])C2)cc1F ZINC000901544804 921343266 /nfs/dbraw/zinc/34/32/66/921343266.db2.gz ZPXUBIYLGSGJOD-MRXNPFEDSA-N -1 3 395.434 3.708 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000631797889 907849644 /nfs/dbraw/zinc/84/96/44/907849644.db2.gz JNBOAACRJRUZJJ-UHFFFAOYSA-N -1 3 386.826 3.658 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193075918 908070948 /nfs/dbraw/zinc/07/09/48/908070948.db2.gz XHEGOYNXZCPZPM-AWEZNQCLSA-N -1 3 395.242 3.648 20 0 GHADHM CC(C)Oc1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c(F)cn1 ZINC001176483933 908129712 /nfs/dbraw/zinc/12/97/12/908129712.db2.gz ROBZHTSMFBMWKJ-UHFFFAOYSA-N -1 3 394.255 3.698 20 0 GHADHM O=C([O-])C[C@H](c1ccccc1)C1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000901601193 921388979 /nfs/dbraw/zinc/38/89/79/921388979.db2.gz CSYUKVZZMSPFJL-GOSISDBHSA-N -1 3 377.435 3.619 20 0 GHADHM O=C([O-])C[C@@H](c1ccccc1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000901602171 921389988 /nfs/dbraw/zinc/38/99/88/921389988.db2.gz IITUMMICWWXLAK-FQEVSTJZSA-N -1 3 381.472 3.928 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(C(F)(F)F)nc1 ZINC001177051915 908384911 /nfs/dbraw/zinc/38/49/11/908384911.db2.gz GQTBRZKSOSRTQK-QMMMGPOBSA-N -1 3 397.303 3.711 20 0 GHADHM O=C(Cc1ccc(C(F)(F)F)cn1)Nc1cc(Br)ccc1[O-] ZINC001177155378 908434050 /nfs/dbraw/zinc/43/40/50/908434050.db2.gz VMBXUMSFJPWRFE-UHFFFAOYSA-N -1 3 375.144 3.750 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](Cn3cncn3)c3ccc(Cl)cc3)n[n-]2)o1 ZINC000194414583 908880338 /nfs/dbraw/zinc/88/03/38/908880338.db2.gz ITQLRJMUAJUGCC-SFHVURJKSA-N -1 3 397.822 3.821 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](Cn3cncn3)c3ccc(Cl)cc3)[n-]n2)o1 ZINC000194414583 908880359 /nfs/dbraw/zinc/88/03/59/908880359.db2.gz ITQLRJMUAJUGCC-SFHVURJKSA-N -1 3 397.822 3.821 20 0 GHADHM O=S(=O)([N-]c1ccccc1Br)c1ccc(Cl)nc1Cl ZINC000195109945 908967676 /nfs/dbraw/zinc/96/76/76/908967676.db2.gz PUTCBPGQFXXZON-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CCC2 ZINC000779941993 909110873 /nfs/dbraw/zinc/11/08/73/909110873.db2.gz LZSJXJFBHZFXMB-SECBINFHSA-N -1 3 378.306 3.509 20 0 GHADHM O=C([O-])CCN(Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H]1CCCO1 ZINC000901682147 921468236 /nfs/dbraw/zinc/46/82/36/921468236.db2.gz RBINIWVOWYYSSV-HNNXBMFYSA-N -1 3 380.897 3.919 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000267043218 909373529 /nfs/dbraw/zinc/37/35/29/909373529.db2.gz UPDMIOGCGMSOLW-UHFFFAOYSA-N -1 3 378.404 3.928 20 0 GHADHM CO[C@H](C)c1noc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000267234199 909422377 /nfs/dbraw/zinc/42/23/77/909422377.db2.gz QKNSODYJNKKVCT-CYBMUJFWSA-N -1 3 383.404 3.547 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCn2ccc3cc(Cl)ccc32)n1 ZINC000636110404 909430895 /nfs/dbraw/zinc/43/08/95/909430895.db2.gz KSEMJODFAYXPIQ-UHFFFAOYSA-N -1 3 386.883 3.930 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C)c(Br)c2C)n1 ZINC000636112709 909433361 /nfs/dbraw/zinc/43/33/61/909433361.db2.gz ZPULBLJJWBLVRI-UHFFFAOYSA-N -1 3 378.270 3.535 20 0 GHADHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Br)s1 ZINC000636318905 909537420 /nfs/dbraw/zinc/53/74/20/909537420.db2.gz DNQSAWFZRKNNTJ-SECBINFHSA-N -1 3 396.310 3.694 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319551 909540216 /nfs/dbraw/zinc/54/02/16/909540216.db2.gz RLPVJBPFSQEANA-LBPRGKRZSA-N -1 3 393.409 3.964 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1(c2ccc(F)cc2F)CCCC1 ZINC000636320390 909541299 /nfs/dbraw/zinc/54/12/99/909541299.db2.gz MFNIRGHRLJSLPF-UHFFFAOYSA-N -1 3 387.430 3.856 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cs1 ZINC000267611376 909564799 /nfs/dbraw/zinc/56/47/99/909564799.db2.gz HPAKGUIWMUNAGB-MRVPVSSYSA-N -1 3 381.306 3.636 20 0 GHADHM CCC1(CC)CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000268000824 909730699 /nfs/dbraw/zinc/73/06/99/909730699.db2.gz NMWUZDGEWQSMCL-UHFFFAOYSA-N -1 3 383.514 3.501 20 0 GHADHM COCCCOc1cc(C)ccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268069744 909761280 /nfs/dbraw/zinc/76/12/80/909761280.db2.gz KGTANWHRAWIZPH-UHFFFAOYSA-N -1 3 380.444 3.594 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)c2F)[n-]1 ZINC001179986380 909853582 /nfs/dbraw/zinc/85/35/82/909853582.db2.gz QSIVVZHIWIXPNZ-UHFFFAOYSA-N -1 3 393.724 3.579 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)c2F)c[n-]1 ZINC001179986380 909853594 /nfs/dbraw/zinc/85/35/94/909853594.db2.gz QSIVVZHIWIXPNZ-UHFFFAOYSA-N -1 3 393.724 3.579 20 0 GHADHM Cc1ccc(SCC(F)(F)F)c([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000795323812 909857358 /nfs/dbraw/zinc/85/73/58/909857358.db2.gz IVUSBNKVZZRGGK-GFCCVEGCSA-N -1 3 383.457 3.818 20 0 GHADHM CC(C)c1c([N-]S(=O)(=O)C[C@@H]2CCCOC2)cnn1-c1ccccc1Cl ZINC000795352887 910038370 /nfs/dbraw/zinc/03/83/70/910038370.db2.gz LWUKMEZDSSFOTR-CQSZACIVSA-N -1 3 397.928 3.817 20 0 GHADHM O=C([O-])[C@H](CC1CCOCC1)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901772182 921552405 /nfs/dbraw/zinc/55/24/05/921552405.db2.gz IWVSXJIKZLVREU-INIZCTEOSA-N -1 3 380.897 3.823 20 0 GHADHM NC(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@H]2CC2(Cl)Cl)o1 ZINC000269519037 910293314 /nfs/dbraw/zinc/29/33/14/910293314.db2.gz WSZXLMHUWMTHKX-SECBINFHSA-N -1 3 385.272 3.917 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)n[n-]2)cc1 ZINC001180832113 910367842 /nfs/dbraw/zinc/36/78/42/910367842.db2.gz AIDLEPZJURKLBO-GOSISDBHSA-N -1 3 394.500 3.964 20 0 GHADHM COc1cc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)cc(OC)c1[O-] ZINC000269961405 910393290 /nfs/dbraw/zinc/39/32/90/910393290.db2.gz SOJADYJUTHGMOV-UHFFFAOYSA-N -1 3 385.460 3.710 20 0 GHADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000801890174 921584110 /nfs/dbraw/zinc/58/41/10/921584110.db2.gz DXZRSCIDLBJTPO-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000271224011 910823881 /nfs/dbraw/zinc/82/38/81/910823881.db2.gz DMILQZWGMPFCQJ-CQSZACIVSA-N -1 3 375.469 3.904 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H]1CCCc2sccc21 ZINC000640296776 910959198 /nfs/dbraw/zinc/95/91/98/910959198.db2.gz QKXFGISELWOKKP-SNVBAGLBSA-N -1 3 378.807 3.781 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)C[C@H]1C(C)(C)C1(F)F)c1nc(C(F)(F)F)cs1 ZINC000641365503 911391501 /nfs/dbraw/zinc/39/15/01/911391501.db2.gz XWBNZKGSIPXZRA-YUMQZZPRSA-N -1 3 392.415 3.824 20 0 GHADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(-c2nnsc2Cl)c1 ZINC000641695294 911485914 /nfs/dbraw/zinc/48/59/14/911485914.db2.gz IABOBCDAWWBIGM-QWHCGFSZSA-N -1 3 387.914 3.558 20 0 GHADHM C[C@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Br)ccc1[O-] ZINC001182415809 911628462 /nfs/dbraw/zinc/62/84/62/911628462.db2.gz LWSYSZPNXCXFJZ-SNVBAGLBSA-N -1 3 378.222 3.701 20 0 GHADHM Cc1cc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cs1 ZINC001274727988 911708477 /nfs/dbraw/zinc/70/84/77/911708477.db2.gz QHFJCCCALMWFTA-UHFFFAOYSA-N -1 3 385.482 3.629 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001182541372 911863122 /nfs/dbraw/zinc/86/31/22/911863122.db2.gz UAJHHDJJZAMTFT-UHFFFAOYSA-N -1 3 381.392 3.731 20 0 GHADHM COc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC000901889813 921701224 /nfs/dbraw/zinc/70/12/24/921701224.db2.gz FGZCAOADFYMZSE-SFHVURJKSA-N -1 3 387.501 3.524 20 0 GHADHM Cc1nn2c(CN3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000901890786 921703881 /nfs/dbraw/zinc/70/38/81/921703881.db2.gz JCCQOLDIPSTERP-CVEARBPZSA-N -1 3 384.505 3.523 20 0 GHADHM COc1cc(CCC(=O)Nc2ccc(Br)cc2[O-])cc(OC)c1 ZINC000642323840 911981608 /nfs/dbraw/zinc/98/16/08/911981608.db2.gz WKSQMDFAJDFTPJ-UHFFFAOYSA-N -1 3 380.238 3.743 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(c1)NC(=O)CCS2 ZINC000642323791 911981929 /nfs/dbraw/zinc/98/19/29/911981929.db2.gz SINKGXCQHMFRGV-UHFFFAOYSA-N -1 3 393.262 3.841 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(NC4CCOCC4)cc3)c([O-])c2O1 ZINC000957027638 912076278 /nfs/dbraw/zinc/07/62/78/912076278.db2.gz WECYYPFBUQJCAF-UHFFFAOYSA-N -1 3 382.460 3.949 20 0 GHADHM C[C@H](C(=O)N=c1ncnc2[nH][n-]cc1-2)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182883675 912099964 /nfs/dbraw/zinc/09/99/64/912099964.db2.gz QWBWVMVXHQQCNI-JTQLQIEISA-N -1 3 390.834 3.757 20 0 GHADHM COc1ccccc1Oc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)nc1 ZINC001182930936 912161415 /nfs/dbraw/zinc/16/14/15/912161415.db2.gz JSBROCLLYSRVMF-UHFFFAOYSA-N -1 3 391.387 3.821 20 0 GHADHM C[C@H](N[C@@H]1CCc2cc(Br)ccc2C1)c1ncc(C(=O)[O-])s1 ZINC000901910834 921726058 /nfs/dbraw/zinc/72/60/58/921726058.db2.gz JDRIBJZHSWTJHO-TVQRCGJNSA-N -1 3 381.295 3.812 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(F)ccc1Br ZINC001186951358 914916041 /nfs/dbraw/zinc/91/60/41/914916041.db2.gz DRQLHOYLFJPPTC-NTZNESFSSA-N -1 3 376.291 3.835 20 0 GHADHM COC(=O)c1cccc(-c2cccc(NC(=O)c3ccccc3-c3nnn[n-]3)c2)c1 ZINC001187006889 914936170 /nfs/dbraw/zinc/93/61/70/914936170.db2.gz LETBXSPEUGCSFN-UHFFFAOYSA-N -1 3 399.410 3.573 20 0 GHADHM COC(=O)c1cccc(-c2cccc(NC(=O)c3ccccc3-c3nn[n-]n3)c2)c1 ZINC001187006889 914936183 /nfs/dbraw/zinc/93/61/83/914936183.db2.gz LETBXSPEUGCSFN-UHFFFAOYSA-N -1 3 399.410 3.573 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc(CN2CCCC2)on1 ZINC000291057333 914946245 /nfs/dbraw/zinc/94/62/45/914946245.db2.gz BHJKCGQUVNFGKQ-UHFFFAOYSA-N -1 3 389.868 3.695 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC001187042634 914977225 /nfs/dbraw/zinc/97/72/25/914977225.db2.gz AXCMOMYUECBISK-UHFFFAOYSA-N -1 3 381.668 3.992 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl)C(C)C ZINC000647128039 915042958 /nfs/dbraw/zinc/04/29/58/915042958.db2.gz NJVTYZMXBHKLDG-LBPRGKRZSA-N -1 3 388.686 3.654 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Cl)c2)cc1F ZINC001187384147 915243827 /nfs/dbraw/zinc/24/38/27/915243827.db2.gz ITGCKOSDFQWDAY-NSHDSACASA-N -1 3 375.824 3.672 20 0 GHADHM O=C(CSc1cccc(Br)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801321 915390079 /nfs/dbraw/zinc/39/00/79/915390079.db2.gz KGVSJVRPNNVVHH-UHFFFAOYSA-N -1 3 378.251 3.762 20 0 GHADHM COC(=O)c1nc(Br)sc1[N-]C(=O)c1ccoc1C(F)(F)F ZINC001187710572 915468466 /nfs/dbraw/zinc/46/84/66/915468466.db2.gz MOFGVYIIWVATRN-UHFFFAOYSA-N -1 3 399.144 3.556 20 0 GHADHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1[n-]nnc1C(F)(F)F ZINC001187764284 915511344 /nfs/dbraw/zinc/51/13/44/915511344.db2.gz WATXWWCTJQKFGD-UHFFFAOYSA-N -1 3 387.365 3.592 20 0 GHADHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1nn[n-]c1C(F)(F)F ZINC001187764284 915511351 /nfs/dbraw/zinc/51/13/51/915511351.db2.gz WATXWWCTJQKFGD-UHFFFAOYSA-N -1 3 387.365 3.592 20 0 GHADHM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1n[n-]nc1C(F)(F)F ZINC001187764284 915511360 /nfs/dbraw/zinc/51/13/60/915511360.db2.gz WATXWWCTJQKFGD-UHFFFAOYSA-N -1 3 387.365 3.592 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187766517 915513157 /nfs/dbraw/zinc/51/31/57/915513157.db2.gz VFSJGNQQQURTLM-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187766517 915513166 /nfs/dbraw/zinc/51/31/66/915513166.db2.gz VFSJGNQQQURTLM-UHFFFAOYSA-N -1 3 385.346 3.731 20 0 GHADHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2cc(F)ncc2F)cc1 ZINC001187809797 915529205 /nfs/dbraw/zinc/52/92/05/915529205.db2.gz DHZIIFHFKYZBII-UHFFFAOYSA-N -1 3 392.383 3.962 20 0 GHADHM Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1Cl ZINC001187974289 915653579 /nfs/dbraw/zinc/65/35/79/915653579.db2.gz KVHCPLICTJJHEM-UHFFFAOYSA-N -1 3 383.659 3.968 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c(C(F)(F)F)c1 ZINC001188269866 915865433 /nfs/dbraw/zinc/86/54/33/915865433.db2.gz QPPIYVYEZZMPOQ-UHFFFAOYSA-N -1 3 384.354 3.957 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@@H]1CSc2ccccc2O1 ZINC000648964605 915952916 /nfs/dbraw/zinc/95/29/16/915952916.db2.gz FUNRKFJTKYTHFH-OAHLLOKOSA-N -1 3 375.465 3.914 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1S(=O)(=O)COc1ccccc1 ZINC001188655666 916079620 /nfs/dbraw/zinc/07/96/20/916079620.db2.gz UWTRWXLYTMAZQD-UHFFFAOYSA-N -1 3 397.452 3.763 20 0 GHADHM Cc1cc2c([N-]S(=O)(=O)Cc3cccc(Br)c3)cccc2nn1 ZINC001188680942 916104861 /nfs/dbraw/zinc/10/48/61/916104861.db2.gz FMHXCOGYJJCDJN-UHFFFAOYSA-N -1 3 392.278 3.643 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4n3[C@@H](C)CCC4)c2)n1 ZINC000649624568 916272242 /nfs/dbraw/zinc/27/22/42/916272242.db2.gz MIDWZVHQAKMHLI-ZDUSSCGKSA-N -1 3 377.448 3.758 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001188886319 916276984 /nfs/dbraw/zinc/27/69/84/916276984.db2.gz PRZHJZLYOOPMSY-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000293723241 916348180 /nfs/dbraw/zinc/34/81/80/916348180.db2.gz KBSCVLIEBIPQEU-GOSISDBHSA-N -1 3 383.448 3.592 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1cc(C(F)(F)F)ccc1F ZINC001189126528 916415167 /nfs/dbraw/zinc/41/51/67/916415167.db2.gz LODYWEGFKWPGNH-NSHDSACASA-N -1 3 397.296 3.535 20 0 GHADHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc([O-])ccc3Cl)nc21 ZINC000294166023 916623780 /nfs/dbraw/zinc/62/37/80/916623780.db2.gz MZOKKUPNPWXQIP-SNVBAGLBSA-N -1 3 380.853 3.737 20 0 GHADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1Cl ZINC000650173727 916776692 /nfs/dbraw/zinc/77/66/92/916776692.db2.gz SKTNJWVFWOTCGZ-UHFFFAOYSA-N -1 3 384.300 3.655 20 0 GHADHM O=S(=O)([N-]Cc1cnccc1Cl)c1cc(Br)ccc1Cl ZINC001189727739 916887359 /nfs/dbraw/zinc/88/73/59/916887359.db2.gz WSMZXDRPPHPZQC-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COCCCN(C(=O)c1cccc(OC(F)(F)F)c1[O-])c1ccccc1N ZINC001189766693 916901839 /nfs/dbraw/zinc/90/18/39/916901839.db2.gz MZGPDBVNXIRPAT-UHFFFAOYSA-N -1 3 384.354 3.556 20 0 GHADHM COC(=O)C1(c2ccc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cc2)CC1 ZINC001189766796 916903388 /nfs/dbraw/zinc/90/33/88/916903388.db2.gz RZPRAHUOYBZVQU-UHFFFAOYSA-N -1 3 395.333 3.748 20 0 GHADHM C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000650359975 916913243 /nfs/dbraw/zinc/91/32/43/916913243.db2.gz JZPFWUFIWMZZLM-NRFANRHFSA-N -1 3 397.862 3.853 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1OC(=O)c1ccccc1O ZINC001189818859 916942581 /nfs/dbraw/zinc/94/25/81/916942581.db2.gz WSDVACSZZFWIIT-UHFFFAOYSA-N -1 3 391.379 3.772 20 0 GHADHM Cc1c([O-])ccc2c(CSC3CN(C(=O)OC(C)(C)C)C3)cc(=O)oc12 ZINC001189844368 916975198 /nfs/dbraw/zinc/97/51/98/916975198.db2.gz XTKMHMAGLYATTI-UHFFFAOYSA-N -1 3 377.462 3.660 20 0 GHADHM COC1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCC(C)CC1 ZINC001189947189 917011574 /nfs/dbraw/zinc/01/15/74/917011574.db2.gz RAULTABUYBXQNI-UHFFFAOYSA-N -1 3 380.535 3.684 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1cc(F)cc(C(F)(F)F)c1 ZINC001189957472 917021198 /nfs/dbraw/zinc/02/11/98/917021198.db2.gz ITPUUYFJAGFIKM-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1F ZINC001190339956 917270939 /nfs/dbraw/zinc/27/09/39/917270939.db2.gz IOGGGBVXCUZGJH-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c(C)c1 ZINC001190593435 917437061 /nfs/dbraw/zinc/43/70/61/917437061.db2.gz RKGJVPMKCIEZMC-ZDUSSCGKSA-N -1 3 381.881 3.783 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000295876069 917569067 /nfs/dbraw/zinc/56/90/67/917569067.db2.gz DATALSRLYCYLKW-UHFFFAOYSA-N -1 3 395.219 3.676 20 0 GHADHM CC(C)(CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC001190798644 917571291 /nfs/dbraw/zinc/57/12/91/917571291.db2.gz PVFHDWQALGEVKR-UHFFFAOYSA-N -1 3 381.723 3.602 20 0 GHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001190910669 917660121 /nfs/dbraw/zinc/66/01/21/917660121.db2.gz UWNUUPWUPBMWTF-GFCCVEGCSA-N -1 3 384.785 3.920 20 0 GHADHM O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(=O)[n-]c1Cl ZINC001190917821 917661767 /nfs/dbraw/zinc/66/17/67/917661767.db2.gz GYZFQEULBXNLKP-UHFFFAOYSA-N -1 3 392.846 3.769 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000651603895 917676479 /nfs/dbraw/zinc/67/64/79/917676479.db2.gz JWKJBNGUNKFEFK-UHFFFAOYSA-N -1 3 395.369 3.877 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC001191394201 917953400 /nfs/dbraw/zinc/95/34/00/917953400.db2.gz IUCKERINRSMWTK-NTZNESFSSA-N -1 3 390.908 3.931 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC001191370458 917972187 /nfs/dbraw/zinc/97/21/87/917972187.db2.gz ZBYSRJUQSUAPLH-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2CCC(C(C)(C)O)CC2)[nH][n-]1 ZINC000653018849 918088224 /nfs/dbraw/zinc/08/82/24/918088224.db2.gz NTWTYNJYSBKSMF-UHFFFAOYSA-N -1 3 391.899 3.676 20 0 GHADHM O=C(Nc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(C(F)(F)F)c1)C1CC1 ZINC000775469312 918108401 /nfs/dbraw/zinc/10/84/01/918108401.db2.gz DIXWIPFHSVVHCQ-CQSZACIVSA-N -1 3 387.358 3.634 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000775469312 918108414 /nfs/dbraw/zinc/10/84/14/918108414.db2.gz DIXWIPFHSVVHCQ-CQSZACIVSA-N -1 3 387.358 3.634 20 0 GHADHM COc1ccc(C(C)C)cc1S(=O)(=O)[N-][C@H](c1cccnc1)C(F)(F)F ZINC001191708238 918132030 /nfs/dbraw/zinc/13/20/30/918132030.db2.gz RKCCMRFMFXSVNH-MRXNPFEDSA-N -1 3 388.411 3.796 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC001191821731 918245209 /nfs/dbraw/zinc/24/52/09/918245209.db2.gz NZNXNHJRGYUVJY-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccnc(-c2ccc(OC)cc2)c1 ZINC001192136154 918468657 /nfs/dbraw/zinc/46/86/57/918468657.db2.gz RXVMDZFCKGUUGV-UHFFFAOYSA-N -1 3 396.374 3.641 20 0 GHADHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(-n4cccc4)cc3)c2)o1 ZINC001192218314 918547971 /nfs/dbraw/zinc/54/79/71/918547971.db2.gz MZXGCFBWDWKUBG-UHFFFAOYSA-N -1 3 380.429 3.637 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(F)cc3[n-]nnc32)c(Cl)c1 ZINC000800263200 919801625 /nfs/dbraw/zinc/80/16/25/919801625.db2.gz TUMSXKPMSSJYHP-JTQLQIEISA-N -1 3 390.802 3.551 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(F)cc3nn[n-]c32)c(Cl)c1 ZINC000800263200 919801631 /nfs/dbraw/zinc/80/16/31/919801631.db2.gz TUMSXKPMSSJYHP-JTQLQIEISA-N -1 3 390.802 3.551 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(F)cc3n[n-]nc32)c(Cl)c1 ZINC000800263200 919801645 /nfs/dbraw/zinc/80/16/45/919801645.db2.gz TUMSXKPMSSJYHP-JTQLQIEISA-N -1 3 390.802 3.551 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000800262593 919803908 /nfs/dbraw/zinc/80/39/08/919803908.db2.gz LUUGVVQHMOHHBO-LLVKDONJSA-N -1 3 384.411 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000800262593 919803917 /nfs/dbraw/zinc/80/39/17/919803917.db2.gz LUUGVVQHMOHHBO-LLVKDONJSA-N -1 3 384.411 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000800262593 919803928 /nfs/dbraw/zinc/80/39/28/919803928.db2.gz LUUGVVQHMOHHBO-LLVKDONJSA-N -1 3 384.411 3.579 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000900124787 919888958 /nfs/dbraw/zinc/88/89/58/919888958.db2.gz OONCCOGGCFHCFA-UHFFFAOYSA-N -1 3 388.265 3.627 20 0 GHADHM Cc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1C ZINC000900320467 920177258 /nfs/dbraw/zinc/17/72/58/920177258.db2.gz ZGRGMDPCSLQPPW-QFIPXVFZSA-N -1 3 381.476 3.544 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCOc1ccccc1Cl ZINC000298168411 920272285 /nfs/dbraw/zinc/27/22/85/920272285.db2.gz YJDATBUIFZEBTQ-UHFFFAOYSA-N -1 3 377.872 3.593 20 0 GHADHM CCOCC(C)(C)NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000298360904 920445565 /nfs/dbraw/zinc/44/55/65/920445565.db2.gz NBOBTRONHCMRJC-UHFFFAOYSA-N -1 3 387.505 3.977 20 0 GHADHM CO[C@H](C)c1nsc([N-]C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)n1 ZINC000800993455 920674737 /nfs/dbraw/zinc/67/47/37/920674737.db2.gz XPEFTJUCHGVASL-LLVKDONJSA-N -1 3 391.884 3.704 20 0 GHADHM COc1ccccc1COC1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000901438791 921108650 /nfs/dbraw/zinc/10/86/50/921108650.db2.gz PJJCYHOMFXYELS-QGZVFWFLSA-N -1 3 399.487 3.728 20 0 GHADHM O=C([O-])c1cccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000902213998 921993868 /nfs/dbraw/zinc/99/38/68/921993868.db2.gz SISPHVIQCLFYMD-CQSZACIVSA-N -1 3 398.850 3.863 20 0 GHADHM CN1C(=O)C[C@@H](NCc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000902426775 922186031 /nfs/dbraw/zinc/18/60/31/922186031.db2.gz CLZOSEQARGERNZ-AEFFLSMTSA-N -1 3 393.270 3.753 20 0 GHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4ccnn4CC4CC4)CC3)c2c1 ZINC000902568635 922306469 /nfs/dbraw/zinc/30/64/69/922306469.db2.gz MHPQBRBCRMCIGY-UHFFFAOYSA-N -1 3 378.476 3.852 20 0 GHADHM COc1ccc(-n2c(CN3C[C@@H](C)[C@H](CC(=O)[O-])C3)nc3ccccc32)cc1 ZINC000903631304 923140126 /nfs/dbraw/zinc/14/01/26/923140126.db2.gz PJJOXZLAEFOTGS-HZPDHXFCSA-N -1 3 379.460 3.577 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Br)N1CCC[C@@H](Cc2nccs2)C1 ZINC000903631591 923140155 /nfs/dbraw/zinc/14/01/55/923140155.db2.gz OXPFBOKLPDATML-LRDDRELGSA-N -1 3 395.322 3.986 20 0 GHADHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000803773498 923234081 /nfs/dbraw/zinc/23/40/81/923234081.db2.gz KWOBQNZEPDDDIM-GFCCVEGCSA-N -1 3 389.498 3.892 20 0 GHADHM O=C([O-])c1cncc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000903890349 923371815 /nfs/dbraw/zinc/37/18/15/923371815.db2.gz XVCIVLJPNXSFJS-OAHLLOKOSA-N -1 3 398.850 3.863 20 0 GHADHM O=C([O-])c1cnc([C@H]2CCN(CCc3ccccc3Br)C2)s1 ZINC000903929530 923406036 /nfs/dbraw/zinc/40/60/36/923406036.db2.gz YZFGVHFARDPATJ-LBPRGKRZSA-N -1 3 381.295 3.636 20 0 GHADHM Cc1ccc(C[C@@H](CNCc2ncc(Br)cc2Cl)C(=O)[O-])cc1 ZINC000903993200 923454738 /nfs/dbraw/zinc/45/47/38/923454738.db2.gz NIWNSNOWYPMLFX-ZDUSSCGKSA-N -1 3 397.700 3.839 20 0 GHADHM CCN(C(=O)c1ccccc1[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000369593236 923467895 /nfs/dbraw/zinc/46/78/95/923467895.db2.gz SZKRETIQRUOWQW-UHFFFAOYSA-N -1 3 382.508 3.745 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1cccc2c1CCCC2 ZINC000748642817 923771011 /nfs/dbraw/zinc/77/10/11/923771011.db2.gz MIVIVBRMYCLETM-UHFFFAOYSA-N -1 3 388.558 3.919 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000466869072 924281256 /nfs/dbraw/zinc/28/12/56/924281256.db2.gz ZGNLOTTWEBZZIP-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM COC(=O)c1ccc(OCc2ccccc2)c([N-]C(=O)c2nnc(C3CC3)o2)c1 ZINC001137298566 924354418 /nfs/dbraw/zinc/35/44/18/924354418.db2.gz URLPGPKGWDYEFB-UHFFFAOYSA-N -1 3 393.399 3.565 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)c2ccccc2)cc1 ZINC000677854921 924526425 /nfs/dbraw/zinc/52/64/25/924526425.db2.gz FZFZRSIRHRRGNT-NRFANRHFSA-N -1 3 393.439 3.937 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(c4cccnc4)CC3)cc2)cc(=O)[n-]1 ZINC000678142519 924631862 /nfs/dbraw/zinc/63/18/62/924631862.db2.gz MMZJMEVXOZUDLV-UHFFFAOYSA-N -1 3 389.459 3.964 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](n4ncc5ccccc54)C3)nc2)n1 ZINC000371580311 924691163 /nfs/dbraw/zinc/69/11/63/924691163.db2.gz NKKRUCDLOOZHBT-SFHVURJKSA-N -1 3 386.459 3.608 20 0 GHADHM Cc1ccc(Oc2ccc(NCc3nc(C(F)(F)F)cc(=O)[n-]3)cc2)nn1 ZINC000678354240 924739037 /nfs/dbraw/zinc/73/90/37/924739037.db2.gz ABXXNJFBWFRPGP-UHFFFAOYSA-N -1 3 377.326 3.704 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000409865434 925071899 /nfs/dbraw/zinc/07/18/99/925071899.db2.gz FBDMIHOLTZAUDU-OAHLLOKOSA-N -1 3 385.894 3.618 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCC(F)(F)C1 ZINC000679568488 925183571 /nfs/dbraw/zinc/18/35/71/925183571.db2.gz VMVUFPCUPXSWQL-WMZOPIPTSA-N -1 3 388.414 3.557 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680108086 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397.378 3.880 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1[O-] ZINC000411234441 926228453 /nfs/dbraw/zinc/22/84/53/926228453.db2.gz YQTGBVQLISAQNU-UHFFFAOYSA-N -1 3 390.443 3.832 20 0 GHADHM CC[C@H](C)N1C(=O)C[C@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276165086 926404276 /nfs/dbraw/zinc/40/42/76/926404276.db2.gz NPJKFKIEHJPWFC-BUXKBTBVSA-N -1 3 399.318 3.839 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1OC ZINC000411524777 926486293 /nfs/dbraw/zinc/48/62/93/926486293.db2.gz AMOPQBHBMJDZOR-UHFFFAOYSA-N -1 3 388.489 3.515 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1)O[C@@H](C)C2 ZINC000412057717 927060743 /nfs/dbraw/zinc/06/07/43/927060743.db2.gz RWJKKCBGHBKEKV-OYYNGEPBSA-N -1 3 395.455 3.603 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000749394682 927086535 /nfs/dbraw/zinc/08/65/35/927086535.db2.gz WEADBAVBPICIAL-QGZVFWFLSA-N -1 3 376.456 3.616 20 0 GHADHM CC[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276198694 927154433 /nfs/dbraw/zinc/15/44/33/927154433.db2.gz PAAKPIZOHILLLK-GUYCJALGSA-N -1 3 378.900 3.555 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000749582533 927202431 /nfs/dbraw/zinc/20/24/31/927202431.db2.gz HQQGQGNTIDWWSV-UHFFFAOYSA-N -1 3 384.613 3.832 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3OCCc4ccccc43)nc(=O)c2c1C ZINC000750055997 927409645 /nfs/dbraw/zinc/40/96/45/927409645.db2.gz PSYHIRYKEZDLCG-ZBEGNZNMSA-N -1 3 384.457 3.932 20 0 GHADHM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000412667994 927712372 /nfs/dbraw/zinc/71/23/72/927712372.db2.gz BLZGGYIMZOOFQM-NVXWUHKLSA-N -1 3 394.443 3.637 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCCC[C@H]1F ZINC000412698740 927745792 /nfs/dbraw/zinc/74/57/92/927745792.db2.gz XXGYHLMDJXILID-VAMGGRTRSA-N -1 3 384.451 3.650 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1cc2ccccc2s1)c1ccc(Cl)cc1F ZINC000751498797 928223477 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GHADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000759357420 930349898 /nfs/dbraw/zinc/34/98/98/930349898.db2.gz AFYLWJXOGWOCOT-LBPRGKRZSA-N -1 3 399.415 3.886 20 0 GHADHM CC(C)C[C@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)N[C@H](C)c1ccccc1 ZINC000546764877 930413883 /nfs/dbraw/zinc/41/38/83/930413883.db2.gz VASWBMIDCJKQQK-IIAWOOMASA-N -1 3 380.476 3.622 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000759681426 930450415 /nfs/dbraw/zinc/45/04/15/930450415.db2.gz YSZAGBBHWLNFNE-WQTVUKCASA-N -1 3 379.865 3.920 20 0 GHADHM CC(=O)c1ccc(OCCCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000780850391 930616160 /nfs/dbraw/zinc/61/61/60/930616160.db2.gz FVRMZOJBOISKPP-UHFFFAOYSA-N -1 3 396.399 3.547 20 0 GHADHM O=C(NC(C1CCCC1)C1CCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000780944501 930647247 /nfs/dbraw/zinc/64/72/47/930647247.db2.gz BSOBHWSAQBIAAV-IBGZPJMESA-N -1 3 384.520 3.862 20 0 GHADHM CCCCCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000781068218 930691512 /nfs/dbraw/zinc/69/15/12/930691512.db2.gz IUSOHHWDPAAQFN-UHFFFAOYSA-N -1 3 375.494 3.648 20 0 GHADHM O=C(Cc1c[nH]c2ccc(F)cc12)[N-]OCc1ccc(F)cc1Br ZINC000781119773 930706550 /nfs/dbraw/zinc/70/65/50/930706550.db2.gz MAETWTYVNVADCC-UHFFFAOYSA-N -1 3 395.203 3.999 20 0 GHADHM O=C(CCC(=O)c1cccc(F)c1)[N-]OCc1ccc(F)cc1Br ZINC000781124410 930708536 /nfs/dbraw/zinc/70/85/36/930708536.db2.gz DVXZDPZPTRGONU-UHFFFAOYSA-N -1 3 398.203 3.938 20 0 GHADHM COc1cc(-c2noc([C@@H]3CCCN3C(C)C)n2)cc(Br)c1[O-] ZINC000924008180 931175140 /nfs/dbraw/zinc/17/51/40/931175140.db2.gz RFZREIQFCRXRQR-LBPRGKRZSA-N -1 3 382.258 3.759 20 0 GHADHM O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924084607 931189581 /nfs/dbraw/zinc/18/95/81/931189581.db2.gz UJCKGXSDDMEOEQ-MRXNPFEDSA-N -1 3 385.370 3.677 20 0 GHADHM Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000782739673 931320362 /nfs/dbraw/zinc/32/03/62/931320362.db2.gz RIKVAOCGDIIWCZ-UHFFFAOYSA-N -1 3 381.429 3.573 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cccn1Cc1cccs1 ZINC000783093117 931410900 /nfs/dbraw/zinc/41/09/00/931410900.db2.gz JNELSCBPZUFRQY-UHFFFAOYSA-N -1 3 381.413 3.711 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1noc(-c2ccccc2[O-])n1 ZINC000783436427 931545656 /nfs/dbraw/zinc/54/56/56/931545656.db2.gz GXRUMXWEKUFLKM-UHFFFAOYSA-N -1 3 383.791 3.863 20 0 GHADHM CC(C)(C)c1ccc(N2CCC(NC(=O)c3cccc4n[n-]nc43)CC2)cc1 ZINC000783570543 931585702 /nfs/dbraw/zinc/58/57/02/931585702.db2.gz NJKSQULFRYCPGP-UHFFFAOYSA-N -1 3 377.492 3.654 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2C1 ZINC000783622500 931598913 /nfs/dbraw/zinc/59/89/13/931598913.db2.gz JXWRUHYRQIAZGJ-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM C[C@@H](CO[N-]C(=O)CC1CCC(C(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC000783664570 931612104 /nfs/dbraw/zinc/61/21/04/931612104.db2.gz YNDZHPLGXHESOD-HIFPTAJRSA-N -1 3 382.423 3.706 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccccc1N1CCCCC1 ZINC000783667751 931612937 /nfs/dbraw/zinc/61/29/37/931612937.db2.gz JODMFEILWXECGQ-UHFFFAOYSA-N -1 3 379.416 3.790 20 0 GHADHM CCCCN(C)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000557915099 931753025 /nfs/dbraw/zinc/75/30/25/931753025.db2.gz JUNMYWVUMUBUNL-UHFFFAOYSA-N -1 3 375.494 3.547 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1C1CC1 ZINC000784419478 931887760 /nfs/dbraw/zinc/88/77/60/931887760.db2.gz PKPGNSKOIDVNME-GFCCVEGCSA-N -1 3 382.420 3.844 20 0 GHADHM Nc1nc(-c2ccc(C(=O)OCc3noc(-c4ccccc4[O-])n3)cc2)cs1 ZINC000784549178 931932108 /nfs/dbraw/zinc/93/21/08/931932108.db2.gz YETVEWQHNSQTKE-UHFFFAOYSA-N -1 3 394.412 3.505 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000777611851 932372418 /nfs/dbraw/zinc/37/24/18/932372418.db2.gz MLAGHEUBAMHVHC-UHFFFAOYSA-N -1 3 378.450 3.761 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000797838561 932425142 /nfs/dbraw/zinc/42/51/42/932425142.db2.gz VMXYEHNERHDKMR-QPUJVOFHSA-N -1 3 397.205 3.640 20 0 GHADHM O=C([N-]CC1CCN(Cc2ccc(Oc3ccccc3)o2)CC1)C(F)(F)F ZINC000798955979 932838469 /nfs/dbraw/zinc/83/84/69/932838469.db2.gz BLZCYHPKFSVODF-UHFFFAOYSA-N -1 3 382.382 3.962 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nnn(-c2cccc3cccnc32)c1C ZINC000928788986 933105661 /nfs/dbraw/zinc/10/56/61/933105661.db2.gz WNQFIHWSDUNOBD-UHFFFAOYSA-N -1 3 376.420 3.796 20 0 GHADHM Cc1nn(Cc2ccccc2)c(N)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000560599580 933376094 /nfs/dbraw/zinc/37/60/94/933376094.db2.gz VEIIXDPKSWEPME-UHFFFAOYSA-N -1 3 390.365 3.799 20 0 GHADHM C[C@@H](COc1ccccc1F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001116299689 933465673 /nfs/dbraw/zinc/46/56/73/933465673.db2.gz HHHLLDOUYAWAHJ-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC001116409438 933542933 /nfs/dbraw/zinc/54/29/33/933542933.db2.gz WEJYCPKMXUQTKB-KRWDZBQOSA-N -1 3 387.455 3.692 20 0 GHADHM Cc1nc(N(C)C)sc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001116485394 933586381 /nfs/dbraw/zinc/58/63/81/933586381.db2.gz KGWINWVFMBFJNN-VIFPVBQESA-N -1 3 392.506 3.763 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C)c2)c1Cl ZINC001116487320 933587711 /nfs/dbraw/zinc/58/77/11/933587711.db2.gz GAYXLMJJKMWJOS-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2ccc(Cl)cc2F)o1 ZINC001117241195 933903882 /nfs/dbraw/zinc/90/38/82/933903882.db2.gz LYZXYMCUIMOWEQ-MRVPVSSYSA-N -1 3 387.845 3.630 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2ccc(Cl)cc2F)o1 ZINC001117241196 933904049 /nfs/dbraw/zinc/90/40/49/933904049.db2.gz LYZXYMCUIMOWEQ-QMMMGPOBSA-N -1 3 387.845 3.630 20 0 GHADHM COC1CCC(C)(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000561545324 934259288 /nfs/dbraw/zinc/25/92/88/934259288.db2.gz VSLVDGYHIIRFTL-UHFFFAOYSA-N -1 3 399.406 3.598 20 0 GHADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1c[n-]c2ccccc2c1=O ZINC001121002922 934550091 /nfs/dbraw/zinc/55/00/91/934550091.db2.gz ZHLKBODGPVSYKA-HNNXBMFYSA-N -1 3 378.428 3.728 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(-n2cccn2)cc1 ZINC000778012414 934641989 /nfs/dbraw/zinc/64/19/89/934641989.db2.gz HWEJVVYSGMQSOA-LLVKDONJSA-N -1 3 397.287 3.614 20 0 GHADHM COc1ccc(N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1OC ZINC000562233804 934775450 /nfs/dbraw/zinc/77/54/50/934775450.db2.gz KRQTUJZTORRADR-UHFFFAOYSA-N -1 3 394.431 3.843 20 0 GHADHM Cc1ccc(-c2ccccc2NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC000932099005 934822633 /nfs/dbraw/zinc/82/26/33/934822633.db2.gz PRDATTXCTSMKMH-AWEZNQCLSA-N -1 3 395.488 3.620 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000562389247 934847212 /nfs/dbraw/zinc/84/72/12/934847212.db2.gz DDQBBAGLAINSON-FXAWDEMLSA-N -1 3 386.536 3.834 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC001123687642 935252904 /nfs/dbraw/zinc/25/29/04/935252904.db2.gz PHBNHZKFNIXUJS-XLIONFOSSA-N -1 3 398.434 3.648 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3csc(C4CCCCC4)c3)C2)n1 ZINC001123911848 935318800 /nfs/dbraw/zinc/31/88/00/935318800.db2.gz FFYRYYZMXWIHOV-INIZCTEOSA-N -1 3 386.521 3.609 20 0 GHADHM COC(=O)Cc1occc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC001124110565 935343730 /nfs/dbraw/zinc/34/37/30/935343730.db2.gz OCDNSULWZBQXJN-UHFFFAOYSA-N -1 3 393.351 3.818 20 0 GHADHM Cc1c(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nn1C ZINC001124255654 935364497 /nfs/dbraw/zinc/36/44/97/935364497.db2.gz FQSWCCOYWCOBHI-UHFFFAOYSA-N -1 3 379.898 3.778 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]3(C)COc4ccccc4O3)c2)n1 ZINC001125083236 935522407 /nfs/dbraw/zinc/52/24/07/935522407.db2.gz YQTYVMVUMDBDSP-QFIPXVFZSA-N -1 3 391.427 3.580 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccccc1OCCF)CC2 ZINC000830069582 935895553 /nfs/dbraw/zinc/89/55/53/935895553.db2.gz PFWOKCXZTAYJCA-UHFFFAOYSA-N -1 3 377.437 3.773 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000908881069 939343615 /nfs/dbraw/zinc/34/36/15/939343615.db2.gz AKINZMRNHPAHHX-NRJQMVOHSA-N -1 3 387.524 3.545 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)c(NCCCOC2CCCCC2)c1 ZINC001573279431 946639075 /nfs/dbraw/zinc/63/90/75/946639075.db2.gz ICGGSDDKUNVSSP-UHFFFAOYSA-N -1 3 380.290 3.781 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)c(NCCCOC2CCCCC2)c1 ZINC001573279431 946639079 /nfs/dbraw/zinc/63/90/79/946639079.db2.gz ICGGSDDKUNVSSP-UHFFFAOYSA-N -1 3 380.290 3.781 20 0 GHADHM CC(=O)c1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC001573554081 946893013 /nfs/dbraw/zinc/89/30/13/946893013.db2.gz LVMIZLZQHUPRRT-CQSZACIVSA-N -1 3 394.431 3.775 20 0 GHADHM CC(=O)c1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC001573554081 946893025 /nfs/dbraw/zinc/89/30/25/946893025.db2.gz LVMIZLZQHUPRRT-CQSZACIVSA-N -1 3 394.431 3.775 20 0 GHADHM C[C@H](C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1)c1ccc(F)c(F)c1 ZINC001573608207 947556618 /nfs/dbraw/zinc/55/66/18/947556618.db2.gz WCQWWQWNZWIRKA-LBPRGKRZSA-N -1 3 383.402 3.834 20 0 GHADHM C[C@H](C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1)c1ccc(F)c(F)c1 ZINC001573608207 947556630 /nfs/dbraw/zinc/55/66/30/947556630.db2.gz WCQWWQWNZWIRKA-LBPRGKRZSA-N -1 3 383.402 3.834 20 0 GHADHM CC(=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccco1 ZINC001573362323 947703376 /nfs/dbraw/zinc/70/33/76/947703376.db2.gz JOLGQKDDQYKCPK-JLHYYAGUSA-N -1 3 388.387 3.689 20 0 GHADHM CC(=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccco1 ZINC001573362323 947703382 /nfs/dbraw/zinc/70/33/82/947703382.db2.gz JOLGQKDDQYKCPK-JLHYYAGUSA-N -1 3 388.387 3.689 20 0 GHADHM CC(=Cc1ccco1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001573363489 947712881 /nfs/dbraw/zinc/71/28/81/947712881.db2.gz CWZGKMANIBTOKT-RAXLEYEMSA-N -1 3 391.456 3.908 20 0 GHADHM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1ccccc1Cl ZINC001452415083 948522773 /nfs/dbraw/zinc/52/27/73/948522773.db2.gz HRSLXMVXWCDUTI-CYBMUJFWSA-N -1 3 384.871 3.775 20 0 GHADHM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1ccccc1Cl ZINC001452415083 948522778 /nfs/dbraw/zinc/52/27/78/948522778.db2.gz HRSLXMVXWCDUTI-CYBMUJFWSA-N -1 3 384.871 3.775 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528093148 948541461 /nfs/dbraw/zinc/54/14/61/948541461.db2.gz AXOJGNHHMZLCHI-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528093148 948541465 /nfs/dbraw/zinc/54/14/65/948541465.db2.gz AXOJGNHHMZLCHI-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM COc1ccccc1Nc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001540505398 948548696 /nfs/dbraw/zinc/54/86/96/948548696.db2.gz CFRLYYBDLXQVAW-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccccc1Nc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001540505398 948548700 /nfs/dbraw/zinc/54/87/00/948548700.db2.gz CFRLYYBDLXQVAW-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CC(C)[C@H](O)[C@@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001574079977 948778135 /nfs/dbraw/zinc/77/81/35/948778135.db2.gz MMMOUYUYEQDHLY-ROUUACIJSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@H](O)[C@@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001574079977 948778138 /nfs/dbraw/zinc/77/81/38/948778138.db2.gz MMMOUYUYEQDHLY-ROUUACIJSA-N -1 3 380.496 3.729 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001574083384 948881463 /nfs/dbraw/zinc/88/14/63/948881463.db2.gz RMNBBWRPPFOZBZ-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001574083384 948881489 /nfs/dbraw/zinc/88/14/89/948881489.db2.gz RMNBBWRPPFOZBZ-SFHVURJKSA-N -1 3 397.866 3.513 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001575512492 949139819 /nfs/dbraw/zinc/13/98/19/949139819.db2.gz NNJOUIJFVQROFB-OAHLLOKOSA-N -1 3 386.459 3.705 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001575512492 949139830 /nfs/dbraw/zinc/13/98/30/949139830.db2.gz NNJOUIJFVQROFB-OAHLLOKOSA-N -1 3 386.459 3.705 20 0 GHADHM CC(C)[C@H]1N(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC12CCCCC2 ZINC001574099886 949187477 /nfs/dbraw/zinc/18/74/77/949187477.db2.gz PPACEGNJTDRIAA-MRXNPFEDSA-N -1 3 390.438 3.968 20 0 GHADHM CC(C)[C@H]1N(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC12CCCCC2 ZINC001574099886 949187485 /nfs/dbraw/zinc/18/74/85/949187485.db2.gz PPACEGNJTDRIAA-MRXNPFEDSA-N -1 3 390.438 3.968 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001574100276 949190172 /nfs/dbraw/zinc/19/01/72/949190172.db2.gz STTJBNKNXKDPLE-SFHVURJKSA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001574100276 949190181 /nfs/dbraw/zinc/19/01/81/949190181.db2.gz STTJBNKNXKDPLE-SFHVURJKSA-N -1 3 391.475 3.811 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576167109 949597416 /nfs/dbraw/zinc/59/74/16/949597416.db2.gz OUUAKXHCJWEOKD-RHSMWYFYSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576167109 949597432 /nfs/dbraw/zinc/59/74/32/949597432.db2.gz OUUAKXHCJWEOKD-RHSMWYFYSA-N -1 3 377.448 3.968 20 0 GHADHM CC(C)(C)[C@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)CCO1 ZINC001573826297 949906555 /nfs/dbraw/zinc/90/65/55/949906555.db2.gz GIRQFQGYACMVMJ-CQSZACIVSA-N -1 3 387.381 3.666 20 0 GHADHM CC(C)(C)[C@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)CCO1 ZINC001573826297 949906570 /nfs/dbraw/zinc/90/65/70/949906570.db2.gz GIRQFQGYACMVMJ-CQSZACIVSA-N -1 3 387.381 3.666 20 0 GHADHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001576179766 949921815 /nfs/dbraw/zinc/92/18/15/949921815.db2.gz LRKKOSNQPHNPQL-ZQEFQCJFSA-N -1 3 387.487 3.800 20 0 GHADHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001576179766 949921837 /nfs/dbraw/zinc/92/18/37/949921837.db2.gz LRKKOSNQPHNPQL-ZQEFQCJFSA-N -1 3 387.487 3.800 20 0 GHADHM C[C@H]1CCN(C(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)CC12CCCCC2 ZINC001576183576 950090162 /nfs/dbraw/zinc/09/01/62/950090162.db2.gz QFEDNLKLMQPFNW-INIZCTEOSA-N -1 3 379.508 3.717 20 0 GHADHM C[C@H]1CCN(C(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)CC12CCCCC2 ZINC001576183576 950090183 /nfs/dbraw/zinc/09/01/83/950090183.db2.gz QFEDNLKLMQPFNW-INIZCTEOSA-N -1 3 379.508 3.717 20 0 GHADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001574168599 950522777 /nfs/dbraw/zinc/52/27/77/950522777.db2.gz ZZJKUDORTGHXKA-QGZVFWFLSA-N -1 3 392.301 3.670 20 0 GHADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001574168599 950522792 /nfs/dbraw/zinc/52/27/92/950522792.db2.gz ZZJKUDORTGHXKA-QGZVFWFLSA-N -1 3 392.301 3.670 20 0 GHADHM CC(C)(C)Oc1ccc(NCc2cccc3[nH]c(=O)oc32)cc1-c1nnn[n-]1 ZINC001573876289 950665763 /nfs/dbraw/zinc/66/57/63/950665763.db2.gz JPAVUNQMYUBXMZ-UHFFFAOYSA-N -1 3 380.408 3.503 20 0 GHADHM CC(C)(C)Oc1ccc(NCc2cccc3[nH]c(=O)oc32)cc1-c1nn[n-]n1 ZINC001573876289 950665778 /nfs/dbraw/zinc/66/57/78/950665778.db2.gz JPAVUNQMYUBXMZ-UHFFFAOYSA-N -1 3 380.408 3.503 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NC(C)(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC001573876503 950676989 /nfs/dbraw/zinc/67/69/89/950676989.db2.gz OHRPODHINIQOMR-UHFFFAOYSA-N -1 3 384.484 3.744 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)NC(C)(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC001573876503 950677001 /nfs/dbraw/zinc/67/70/01/950677001.db2.gz OHRPODHINIQOMR-UHFFFAOYSA-N -1 3 384.484 3.744 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)c(-c3nnn[n-]3)cc2C1 ZINC001576214876 950683825 /nfs/dbraw/zinc/68/38/25/950683825.db2.gz CZPVSVCFQLGZBW-CYBMUJFWSA-N -1 3 390.491 3.936 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)c(-c3nn[n-]n3)cc2C1 ZINC001576214876 950683837 /nfs/dbraw/zinc/68/38/37/950683837.db2.gz CZPVSVCFQLGZBW-CYBMUJFWSA-N -1 3 390.491 3.936 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCCCS2)c1-c1nnn[n-]1 ZINC001573885074 950810697 /nfs/dbraw/zinc/81/06/97/950810697.db2.gz RKNFKWOUYJBMRG-JTQLQIEISA-N -1 3 380.543 3.633 20 0 GHADHM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCCCS2)c1-c1nn[n-]n1 ZINC001573885074 950810711 /nfs/dbraw/zinc/81/07/11/950810711.db2.gz RKNFKWOUYJBMRG-JTQLQIEISA-N -1 3 380.543 3.633 20 0 GHADHM CC(C)(C)c1ccccc1OCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001573885461 950825923 /nfs/dbraw/zinc/82/59/23/950825923.db2.gz XRIIWBMJWNAVKV-UHFFFAOYSA-N -1 3 398.442 3.504 20 0 GHADHM CC(C)(C)c1ccccc1OCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001573885461 950825945 /nfs/dbraw/zinc/82/59/45/950825945.db2.gz XRIIWBMJWNAVKV-UHFFFAOYSA-N -1 3 398.442 3.504 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3Cc4ccccc43)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576220869 950836419 /nfs/dbraw/zinc/83/64/19/950836419.db2.gz XMECDQCXIQJAQG-JTNHKYCSSA-N -1 3 379.489 3.892 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3Cc4ccccc43)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576220869 950836440 /nfs/dbraw/zinc/83/64/40/950836440.db2.gz XMECDQCXIQJAQG-JTNHKYCSSA-N -1 3 379.489 3.892 20 0 GHADHM CC(C)CCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@@H]1C ZINC001574195494 950986513 /nfs/dbraw/zinc/98/65/13/950986513.db2.gz QAWIEWCUVVQMNE-HNNXBMFYSA-N -1 3 380.500 3.550 20 0 GHADHM CC(C)CCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@@H]1C ZINC001574195494 950986540 /nfs/dbraw/zinc/98/65/40/950986540.db2.gz QAWIEWCUVVQMNE-HNNXBMFYSA-N -1 3 380.500 3.550 20 0 GHADHM CC(C)(CC(=O)NCCc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC001573899961 950987127 /nfs/dbraw/zinc/98/71/27/950987127.db2.gz MGIAQROKXICVMJ-UHFFFAOYSA-N -1 3 397.910 3.838 20 0 GHADHM CC(C)(CC(=O)NCCc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC001573899961 950987141 /nfs/dbraw/zinc/98/71/41/950987141.db2.gz MGIAQROKXICVMJ-UHFFFAOYSA-N -1 3 397.910 3.838 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc(OC(F)(F)F)c1 ZINC001575187377 952439488 /nfs/dbraw/zinc/43/94/88/952439488.db2.gz BYHJWBYOYJYOTI-LLVKDONJSA-N -1 3 392.337 3.550 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc(OC(F)(F)F)c1 ZINC001575187377 952439494 /nfs/dbraw/zinc/43/94/94/952439494.db2.gz BYHJWBYOYJYOTI-LLVKDONJSA-N -1 3 392.337 3.550 20 0 GHADHM O=C([O-])CC1(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CCC1 ZINC000563211458 953598005 /nfs/dbraw/zinc/59/80/05/953598005.db2.gz PLFIBTDAHBKACW-UHFFFAOYSA-N -1 3 384.520 3.679 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[C@H](Nc4ccccc4)C3)o2)C1 ZINC001594914495 954730511 /nfs/dbraw/zinc/73/05/11/954730511.db2.gz GZRJJZJPAUEHMK-HKUYNNGSSA-N -1 3 383.492 3.657 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)CC/C=C/c2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001345074319 962219753 /nfs/dbraw/zinc/21/97/53/962219753.db2.gz JNRXOKGIZRNXGF-KGUVVTLUSA-N -1 3 392.499 3.716 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCN(Cc2ccccc2)C1 ZINC001347510880 962390464 /nfs/dbraw/zinc/39/04/64/962390464.db2.gz UEVZTYGONAVBEA-OOICKAIWSA-N -1 3 398.547 3.829 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC001574134925 962559973 /nfs/dbraw/zinc/55/99/73/962559973.db2.gz ZPWPYOFCHJSOIZ-IBGZPJMESA-N -1 3 394.830 3.590 20 0 GHADHM C[C@H](N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000314840792 963819635 /nfs/dbraw/zinc/81/96/35/963819635.db2.gz VGWKTMUEDJUKHY-YNEHKIRRSA-N -1 3 383.514 3.575 20 0 GHADHM COC(=O)CCN(CC(=O)[O-])Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001604311448 972970599 /nfs/dbraw/zinc/97/05/99/972970599.db2.gz TUYCVPPVJIMQFC-UHFFFAOYSA-N -1 3 395.814 3.721 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H]3[C@@H](c4ccccc4)C3(F)F)o2)C1 ZINC001605997712 973072876 /nfs/dbraw/zinc/07/28/76/973072876.db2.gz FPTNAYODHGDRTL-KVSKMBFKSA-N -1 3 390.430 3.719 20 0 GHADHM C[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404281198 973716871 /nfs/dbraw/zinc/71/68/71/973716871.db2.gz FBFCNUIFQHSQTJ-JHJVBQTASA-N -1 3 379.913 3.982 20 0 GHADHM O=C([O-])CN(Cc1cc(Cl)ccc1I)C1CCCC1 ZINC000405190329 973775047 /nfs/dbraw/zinc/77/50/47/973775047.db2.gz PXXKWIHWGIHXRN-UHFFFAOYSA-N -1 3 393.652 3.774 20 0 GHADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000565310294 974579109 /nfs/dbraw/zinc/57/91/09/974579109.db2.gz UHLHVJZOGCNSLC-IEBWSBKVSA-N -1 3 375.852 3.615 20 0 GHADHM CC(C)Oc1c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cccc1C(=O)[O-] ZINC001591740907 975744675 /nfs/dbraw/zinc/74/46/75/975744675.db2.gz LXMBDDNPQQDADK-YPMHNXCESA-N -1 3 389.370 3.858 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001591994353 976631358 /nfs/dbraw/zinc/63/13/58/976631358.db2.gz KPFHATXTVJEFJD-SBUREZEXSA-N -1 3 380.488 3.865 20 0 GHADHM C[C@H](CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1)c1cccc(Br)c1 ZINC001592611518 978568716 /nfs/dbraw/zinc/56/87/16/978568716.db2.gz ORLZGMQVGLHJCO-CQSZACIVSA-N -1 3 396.325 3.634 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC001592860321 979689667 /nfs/dbraw/zinc/68/96/67/979689667.db2.gz HHZPKMOWTZQIOC-KRWDZBQOSA-N -1 3 387.524 3.680 20 0 GHADHM CC[C@@H](c1ccc(Br)cc1)N1CCN(CC2(CC(=O)[O-])CC2)CC1 ZINC001595359447 980741503 /nfs/dbraw/zinc/74/15/03/980741503.db2.gz AYLQLCSTNXAUJB-KRWDZBQOSA-N -1 3 395.341 3.773 20 0 GHADHM O=C([O-])c1cnc([C@H]2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)s1 ZINC000903925129 981042477 /nfs/dbraw/zinc/04/24/77/981042477.db2.gz SKQNNSYSMNIXAO-ZANVPECISA-N -1 3 387.288 3.671 20 0 GHADHM Cc1cc(Br)ccc1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903940896 981061609 /nfs/dbraw/zinc/06/16/09/981061609.db2.gz KOOYKVIJKOTORF-XKQJLSEDSA-N -1 3 382.298 3.602 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)C1(Cc2ccc(O)cc2)CC1 ZINC001154437472 1032103704 /nfs/dbraw/zinc/10/37/04/1032103704.db2.gz ZZVNQWFGLNHZRV-UHFFFAOYSA-N -1 3 394.240 3.865 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC001594994390 982875325 /nfs/dbraw/zinc/87/53/25/982875325.db2.gz LVOHWACETFIVRW-XHDPSFHLSA-N -1 3 379.844 3.882 20 0 GHADHM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596150241 983509712 /nfs/dbraw/zinc/50/97/12/983509712.db2.gz FTUKIZHHGYCWCD-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM CCN(C(=O)Nc1cccc(C(=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596157844 983519377 /nfs/dbraw/zinc/51/93/77/983519377.db2.gz GSOMQQLXFNTWBG-SFHVURJKSA-N -1 3 381.476 3.822 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccsc1 ZINC001596254295 983662062 /nfs/dbraw/zinc/66/20/62/983662062.db2.gz ICXMEOXIPQGYJT-KRWDZBQOSA-N -1 3 393.484 3.719 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001588956512 984705608 /nfs/dbraw/zinc/70/56/08/984705608.db2.gz RKUCHNMQJMQEFR-CCRIVNJPSA-N -1 3 398.547 3.995 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001588956515 984705617 /nfs/dbraw/zinc/70/56/17/984705617.db2.gz RKUCHNMQJMQEFR-XFSAOMEGSA-N -1 3 398.547 3.995 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001594544534 986202478 /nfs/dbraw/zinc/20/24/78/986202478.db2.gz JFCQXIORCOMWMR-HNNXBMFYSA-N -1 3 385.439 3.510 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001597020927 986406179 /nfs/dbraw/zinc/40/61/79/986406179.db2.gz IFDHYCVNKBHTSY-SFHVURJKSA-N -1 3 397.475 3.570 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589445614 986814152 /nfs/dbraw/zinc/81/41/52/986814152.db2.gz TWYFHAVJGYBWCH-DGGJZMOXSA-N -1 3 394.471 3.993 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001589513227 987156140 /nfs/dbraw/zinc/15/61/40/987156140.db2.gz PQJHYCCXGMZMOQ-GQIGUUNPSA-N -1 3 381.476 3.517 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001589513563 987159657 /nfs/dbraw/zinc/15/96/57/987159657.db2.gz WKZIIPCTWPFFMC-OXJNMPFZSA-N -1 3 381.476 3.833 20 0 GHADHM CCc1[nH]c(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1C(=O)OC ZINC001597391725 987622773 /nfs/dbraw/zinc/62/27/73/987622773.db2.gz MRZFRUMYBUZPSU-SFHVURJKSA-N -1 3 399.274 3.760 20 0 GHADHM CC(C)(C)C[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC001589751529 988053690 /nfs/dbraw/zinc/05/36/90/988053690.db2.gz FMZNFXOCQLRLBQ-KRWDZBQOSA-N -1 3 378.488 3.796 20 0 GHADHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])C1 ZINC001589806486 988231218 /nfs/dbraw/zinc/23/12/18/988231218.db2.gz PPVLJZQFHHJZIC-MRXNPFEDSA-N -1 3 377.243 3.843 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001589973857 988820852 /nfs/dbraw/zinc/82/08/52/988820852.db2.gz LHVIVZDJCVVZRE-IBGZPJMESA-N -1 3 388.508 3.708 20 0 GHADHM CCc1oc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1C(=O)[O-] ZINC001597801632 989395882 /nfs/dbraw/zinc/39/58/82/989395882.db2.gz FCFWDXMRLZHOAF-LBPRGKRZSA-N -1 3 382.382 3.928 20 0 GHADHM CC(C)[C@H](CNC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001590983162 991158507 /nfs/dbraw/zinc/15/85/07/991158507.db2.gz ZQRARAAOZFHEGC-RBBKRZOGSA-N -1 3 396.531 3.984 20 0 GHADHM CN(CC(F)F)C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001598430347 991792817 /nfs/dbraw/zinc/79/28/17/991792817.db2.gz KDLIMQPMVRTWMG-UHFFFAOYSA-N -1 3 378.419 3.806 20 0 GHADHM COc1nsc(CN2CCC(CCc3ccc(F)cc3F)CC2)c1C(=O)[O-] ZINC001599740476 991844948 /nfs/dbraw/zinc/84/49/48/991844948.db2.gz UIERUGBILKEBRW-UHFFFAOYSA-N -1 3 396.459 3.973 20 0 GHADHM CC(C)C[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001591183897 991986038 /nfs/dbraw/zinc/98/60/38/991986038.db2.gz ODARMJUOTQPEND-QGZVFWFLSA-N -1 3 380.916 3.921 20 0 GHADHM CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598480889 992148607 /nfs/dbraw/zinc/14/86/07/992148607.db2.gz BKCRKEBCEVNQPM-UHFFFAOYSA-N -1 3 388.464 3.991 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598503048 992461613 /nfs/dbraw/zinc/46/16/13/992461613.db2.gz ACOOOVACVXGNGB-FWFZHJKVSA-N -1 3 382.460 3.504 20 0 GHADHM CN(Cc1cc(C(=O)[O-])cs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598506511 992509541 /nfs/dbraw/zinc/50/95/41/992509541.db2.gz DFNFSVKKVVDNGA-ZDUSSCGKSA-N -1 3 390.288 3.625 20 0 GHADHM CC(C)N(C(=O)CC1(CC(=O)[O-])CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001591539011 992718639 /nfs/dbraw/zinc/71/86/39/992718639.db2.gz QEXIMVLWEILMCO-HXUWFJFHSA-N -1 3 386.536 3.923 20 0 GHADHM O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cc([O-])c2ccccc2c1 ZINC000545283852 1015735431 /nfs/dbraw/zinc/73/54/31/1015735431.db2.gz QKIKBQQLJUNMJS-UHFFFAOYSA-N -1 3 381.819 3.981 20 0 GHADHM CN(Cn1ncc2cc(C(=O)[O-])ccc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001598541833 992910530 /nfs/dbraw/zinc/91/05/30/992910530.db2.gz SDAACKBBRFZABH-QUCCMNQESA-N -1 3 383.423 3.683 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@H](c1ccccc1)N(C)C ZINC001593081837 993667208 /nfs/dbraw/zinc/66/72/08/993667208.db2.gz FAVNVUVVXGLDTK-PWIZWCRZSA-N -1 3 397.519 3.829 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001593113280 993790489 /nfs/dbraw/zinc/79/04/89/993790489.db2.gz TUJASKPDRLQOSE-DIFFPNOSSA-N -1 3 393.846 3.990 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC001593131217 993878396 /nfs/dbraw/zinc/87/83/96/993878396.db2.gz LZTUIDSELCGMLT-QWHCGFSZSA-N -1 3 382.888 3.773 20 0 GHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194150 994131171 /nfs/dbraw/zinc/13/11/71/994131171.db2.gz AJBYUUZRLRCUTL-XOBRGWDASA-N -1 3 393.418 3.950 20 0 GHADHM C[C@H](N[C@@H]1CCc2cccc3cccc1c32)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593232534 994386399 /nfs/dbraw/zinc/38/63/99/994386399.db2.gz NVDJQEOBGKFDNA-YCRPNKLZSA-N -1 3 388.467 3.820 20 0 GHADHM C[C@H](NCC1(c2ccc(Br)cc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593251631 994498526 /nfs/dbraw/zinc/49/85/26/994498526.db2.gz JIFOLPHLEIITNG-JTQLQIEISA-N -1 3 381.295 3.986 20 0 GHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2cccc(C(=O)NCC(C)C)c2)c1 ZINC001599657029 994598349 /nfs/dbraw/zinc/59/83/49/994598349.db2.gz ZQFCMLXUTFPQMH-QHCPKHFHSA-N -1 3 398.503 3.561 20 0 GHADHM COC(=O)[C@H](C)[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001598690028 995050476 /nfs/dbraw/zinc/05/04/76/995050476.db2.gz VCYPPJTUKVLDOS-AUUYWEPGSA-N -1 3 378.428 3.573 20 0 GHADHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(Br)c1[O-] ZINC000545498919 1015949174 /nfs/dbraw/zinc/94/91/74/1015949174.db2.gz FZGQTVYODDBTAZ-QGZVFWFLSA-N -1 3 389.249 3.892 20 0 GHADHM C[C@H](c1cccc(Br)c1)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593697994 996159625 /nfs/dbraw/zinc/15/96/25/996159625.db2.gz CNSRHJYXMNFXBS-ACJLOTCBSA-N -1 3 382.298 3.592 20 0 GHADHM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC001593720120 996248487 /nfs/dbraw/zinc/24/84/87/996248487.db2.gz LLBANVLLYCDNPU-VQHPVUNQSA-N -1 3 399.491 3.724 20 0 GHADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593725436 996278293 /nfs/dbraw/zinc/27/82/93/996278293.db2.gz WAMRJESENPVJPG-RVPKQNPDSA-N -1 3 383.370 3.859 20 0 GHADHM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468788065 1016031556 /nfs/dbraw/zinc/03/15/56/1016031556.db2.gz BUZZMXJIENPAGE-UHFFFAOYSA-N -1 3 378.831 3.605 20 0 GHADHM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593837839 996596604 /nfs/dbraw/zinc/59/66/04/996596604.db2.gz NQUWQUMVFAVCAO-KRWDZBQOSA-N -1 3 392.927 3.812 20 0 GHADHM Cc1cccc(Cc2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000545598469 1016085344 /nfs/dbraw/zinc/08/53/44/1016085344.db2.gz LFCSQYNESUWAQJ-CYBMUJFWSA-N -1 3 391.880 3.662 20 0 GHADHM COc1ccc([C@@H](NCc2ccc3c(c2)OCCCCO3)C(=O)[O-])cc1Cl ZINC001599532770 997687213 /nfs/dbraw/zinc/68/72/13/997687213.db2.gz VYQNAXSUXAAALN-LJQANCHMSA-N -1 3 391.851 3.816 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)ccc1F ZINC000468901062 1016188826 /nfs/dbraw/zinc/18/88/26/1016188826.db2.gz JHDNIEKTMJDPLK-INIZCTEOSA-N -1 3 389.370 3.517 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@H](C(C)(C)C)C3)c2C(=O)[O-])C1 ZINC001594444596 999634581 /nfs/dbraw/zinc/63/45/81/999634581.db2.gz VSFYTLXVLPPQKI-OLZOCXBDSA-N -1 3 378.538 3.878 20 0 GHADHM Cc1ccccc1-c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)n(CCO)n1 ZINC000469038078 1016361345 /nfs/dbraw/zinc/36/13/45/1016361345.db2.gz VIDFPNRUUXHAAA-UHFFFAOYSA-N -1 3 397.450 3.657 20 0 GHADHM COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc(Cl)c1[O-] ZINC000546593314 1016685586 /nfs/dbraw/zinc/68/55/86/1016685586.db2.gz SVZJKUSRZORRHC-AWEZNQCLSA-N -1 3 380.897 3.683 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)C2(c3ccccc3)CCCC2)c([O-])c1 ZINC001154509080 1032152627 /nfs/dbraw/zinc/15/26/27/1032152627.db2.gz PRNBJUKYJNRHEN-GOSISDBHSA-N -1 3 394.515 3.837 20 0 GHADHM C[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCC(=O)N1 ZINC000626227692 1017012859 /nfs/dbraw/zinc/01/28/59/1017012859.db2.gz BWYBUNGVEWWSBM-RISCZKNCSA-N -1 3 381.457 3.522 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N(C)Cc3ncccc3C(F)(F)F)c2c1 ZINC001154530170 1032166863 /nfs/dbraw/zinc/16/68/63/1032166863.db2.gz XQDYPFCJMBUOGQ-UHFFFAOYSA-N -1 3 375.350 3.935 20 0 GHADHM O=C([N-]c1cc(C(F)(F)F)no1)c1noc2cc(Br)ccc21 ZINC001154895767 1032332974 /nfs/dbraw/zinc/33/29/74/1032332974.db2.gz AMMMQCFLCOJVPH-UHFFFAOYSA-N -1 3 376.088 3.849 20 0 GHADHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001155063748 1032399364 /nfs/dbraw/zinc/39/93/64/1032399364.db2.gz SPZPBXKJFMAOOB-UHFFFAOYSA-N -1 3 399.373 3.633 20 0 GHADHM COc1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)c(Br)c1 ZINC001155179457 1032447506 /nfs/dbraw/zinc/44/75/06/1032447506.db2.gz XVFXZZAKWOPNIG-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM COc1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)c(Br)c1 ZINC001155179457 1032447513 /nfs/dbraw/zinc/44/75/13/1032447513.db2.gz XVFXZZAKWOPNIG-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM COc1ccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)c(Br)c1 ZINC001155179457 1032447517 /nfs/dbraw/zinc/44/75/17/1032447517.db2.gz XVFXZZAKWOPNIG-UHFFFAOYSA-N -1 3 381.617 3.635 20 0 GHADHM CN(C)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(Cl)cc1 ZINC000558972517 1017326956 /nfs/dbraw/zinc/32/69/56/1017326956.db2.gz LLDFCSUNHCUMSC-HNNXBMFYSA-N -1 3 397.700 3.841 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](C)c3ccccc32)cc1OC ZINC000559151680 1017374913 /nfs/dbraw/zinc/37/49/13/1017374913.db2.gz NXRSEYMXVVDCOK-ZDUSSCGKSA-N -1 3 389.477 3.612 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1cc(C(F)(F)F)ccc1Br ZINC000559176922 1017384817 /nfs/dbraw/zinc/38/48/17/1017384817.db2.gz CHNBTWGOFNTKRO-ZJUUUORDSA-N -1 3 390.196 3.637 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)s1 ZINC000927320330 1017389612 /nfs/dbraw/zinc/38/96/12/1017389612.db2.gz RXWQOXOOPDMTFQ-VBKZILBWSA-N -1 3 385.489 3.904 20 0 GHADHM O=C(N[C@@H](CO)CCc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001155769628 1032693986 /nfs/dbraw/zinc/69/39/86/1032693986.db2.gz PXLMZCXCSWBPBN-OAQYLSRUSA-N -1 3 375.468 3.707 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)c1 ZINC000928356014 1017515782 /nfs/dbraw/zinc/51/57/82/1017515782.db2.gz GBRLALRODWFJFN-ZDUSSCGKSA-N -1 3 394.294 3.644 20 0 GHADHM CO[C@H]1CCOc2c(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cccc21 ZINC000561309785 1017835422 /nfs/dbraw/zinc/83/54/22/1017835422.db2.gz VHNGUCLMAVYXST-KRWDZBQOSA-N -1 3 382.391 3.698 20 0 GHADHM Cc1ccc(C)n1C1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000931225368 1017943391 /nfs/dbraw/zinc/94/33/91/1017943391.db2.gz IFIHLNKQHNAKCE-UHFFFAOYSA-N -1 3 385.414 3.702 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000562492218 1018217679 /nfs/dbraw/zinc/21/76/79/1018217679.db2.gz GECMJMBWFRFBCK-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM C[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1cc(Br)no1 ZINC001228078295 1032768390 /nfs/dbraw/zinc/76/83/90/1032768390.db2.gz IATGCEOEFDTDKA-SSDOTTSWSA-N -1 3 384.182 3.568 20 0 GHADHM COC(=O)[C@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1ccccc1Cl ZINC001228078797 1032768595 /nfs/dbraw/zinc/76/85/95/1032768595.db2.gz LLYIUMSYZZGLLR-MRXNPFEDSA-N -1 3 392.791 3.624 20 0 GHADHM CN(C[C@@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566359536 1019221551 /nfs/dbraw/zinc/22/15/51/1019221551.db2.gz YBADVFREZDGMDW-RHSMWYFYSA-N -1 3 382.243 3.891 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)c1[O-] ZINC000568636810 1019430951 /nfs/dbraw/zinc/43/09/51/1019430951.db2.gz LQOLAQLABICTRS-HXUWFJFHSA-N -1 3 394.471 3.533 20 0 GHADHM CC(C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nnc2n1CCCC2 ZINC000569785129 1019517171 /nfs/dbraw/zinc/51/71/71/1019517171.db2.gz SQYJEJAQBRNWIQ-UHFFFAOYSA-N -1 3 390.487 3.576 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)sc1Cl ZINC000572923566 1019816282 /nfs/dbraw/zinc/81/62/82/1019816282.db2.gz CGPLXTCNNVNKCU-AWEZNQCLSA-N -1 3 377.940 3.538 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000574354612 1019867884 /nfs/dbraw/zinc/86/78/84/1019867884.db2.gz ZKZXYYIBQBCXSW-BJOHPYRUSA-N -1 3 375.343 3.645 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1ccc2ccccc2c1 ZINC000047467297 1020019353 /nfs/dbraw/zinc/01/93/53/1020019353.db2.gz DGMCITVAQIUZHC-UHFFFAOYSA-N -1 3 390.439 3.571 20 0 GHADHM CC(C)=CCSC[C@@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC000600941737 1020281874 /nfs/dbraw/zinc/28/18/74/1020281874.db2.gz IDZKRJZYIHJSAC-GFCCVEGCSA-N -1 3 394.281 3.970 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1)C1CC1 ZINC000578070411 1020315991 /nfs/dbraw/zinc/31/59/91/1020315991.db2.gz RPXBXONYVQAKNK-OAHLLOKOSA-N -1 3 386.470 3.550 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CN1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001204450835 1032894416 /nfs/dbraw/zinc/89/44/16/1032894416.db2.gz OLBSCXWTUNGUTO-IBGZPJMESA-N -1 3 398.507 3.505 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159802647 1020362095 /nfs/dbraw/zinc/36/20/95/1020362095.db2.gz RLYUJWWKDZHOBD-GOEBONIOSA-N -1 3 394.487 3.821 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cncc(Br)c1 ZINC001276466055 1032900686 /nfs/dbraw/zinc/90/06/86/1032900686.db2.gz JWFVKRHNTCGUQO-UHFFFAOYSA-N -1 3 393.241 3.678 20 0 GHADHM CCCCc1nc(NC(=O)c2csc(-c3ccccn3)n2)c(C(=O)OCC)[n-]1 ZINC000191963960 1020833982 /nfs/dbraw/zinc/83/39/82/1020833982.db2.gz XTBXNESSALYCRE-UHFFFAOYSA-N -1 3 399.476 3.700 20 0 GHADHM CCc1c(=O)n(C2=N[C@H]3CCCC[C@@H]3N2)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634635727 1020954098 /nfs/dbraw/zinc/95/40/98/1020954098.db2.gz LTFUEWHGCVYKGX-KKUMJFAQSA-N -1 3 378.398 3.548 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000647365772 1021144791 /nfs/dbraw/zinc/14/47/91/1021144791.db2.gz IFRLUSWSXUYRGM-GDLCADMTSA-N -1 3 379.819 3.747 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001156284674 1032958859 /nfs/dbraw/zinc/95/88/59/1032958859.db2.gz LIGGNGBZABJTDB-AWEZNQCLSA-N -1 3 383.883 3.600 20 0 GHADHM C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273767 1021299987 /nfs/dbraw/zinc/29/99/87/1021299987.db2.gz YCHZNTNYBMIFBH-VXGBXAGGSA-N -1 3 383.448 3.528 20 0 GHADHM COC(=O)c1csc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001137349209 1021922160 /nfs/dbraw/zinc/92/21/60/1021922160.db2.gz KGCJBGFXOQJWFD-UHFFFAOYSA-N -1 3 383.451 3.591 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](c1ccc(OC)cc1)C(C)C ZINC001228714858 1033060606 /nfs/dbraw/zinc/06/06/06/1033060606.db2.gz XBSIBGREXPSJJQ-QGZVFWFLSA-N -1 3 376.478 3.656 20 0 GHADHM COc1cc(C(=O)OCc2csc(Nc3ccccc3)n2)cc(OC)c1[O-] ZINC000754255512 1022563699 /nfs/dbraw/zinc/56/36/99/1022563699.db2.gz BVOGQERBOCSZEC-UHFFFAOYSA-N -1 3 386.429 3.967 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)=Cc3ccc(OC)c(F)c3)nc21 ZINC000754366978 1022644843 /nfs/dbraw/zinc/64/48/43/1022644843.db2.gz UBRRHYGJMNMPIT-PKNBQFBNSA-N -1 3 383.379 3.539 20 0 GHADHM O=C1N(CC2CC2)CCC12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)CC2 ZINC001140835821 1022665451 /nfs/dbraw/zinc/66/54/51/1022665451.db2.gz DAJSXGIJDLGXIF-UHFFFAOYSA-N -1 3 383.319 3.924 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000754439395 1022708547 /nfs/dbraw/zinc/70/85/47/1022708547.db2.gz AZOFMPYOSALEDJ-KRWDZBQOSA-N -1 3 399.285 3.740 20 0 GHADHM CC(C)[C@H](CO)ON=C([O-])Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000836230516 1022750501 /nfs/dbraw/zinc/75/05/01/1022750501.db2.gz PRLCOPQQGFXSBY-ZDUSSCGKSA-N -1 3 389.399 3.899 20 0 GHADHM CC(C)[C@H](CO)O[N-]C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000836230516 1022750516 /nfs/dbraw/zinc/75/05/16/1022750516.db2.gz PRLCOPQQGFXSBY-ZDUSSCGKSA-N -1 3 389.399 3.899 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3ccc([O-])c(F)c3F)C1)C2 ZINC001140893220 1022816677 /nfs/dbraw/zinc/81/66/77/1022816677.db2.gz LHBDUHVRCVAFCQ-OPAMFIHVSA-N -1 3 387.426 3.766 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccc4c(c3)COC4)nc(=O)c2c1C ZINC000755127437 1023085629 /nfs/dbraw/zinc/08/56/29/1023085629.db2.gz WNQPPNAXTNUDCV-LLVKDONJSA-N -1 3 384.457 3.891 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000755167356 1023105680 /nfs/dbraw/zinc/10/56/80/1023105680.db2.gz UMSSFZFRSXVRKR-INIZCTEOSA-N -1 3 388.851 3.688 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C2(c3noc(C)n3)CCCCCC2)cc1 ZINC000755628000 1023317848 /nfs/dbraw/zinc/31/78/48/1023317848.db2.gz NVEIUMAWFQIYTK-UHFFFAOYSA-N -1 3 379.407 3.844 20 0 GHADHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000836801770 1023376338 /nfs/dbraw/zinc/37/63/38/1023376338.db2.gz MJOWEECEHSJRFZ-UHFFFAOYSA-N -1 3 382.460 3.595 20 0 GHADHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CCCCCCCC1 ZINC000836923667 1023472141 /nfs/dbraw/zinc/47/21/41/1023472141.db2.gz BDVIIYBTQKIENK-UHFFFAOYSA-N -1 3 393.484 3.751 20 0 GHADHM CC1(C)CN(Cc2ccccc2)C[C@H](COc2cc3c(cc2[O-])CCC3=O)O1 ZINC001228856096 1033137897 /nfs/dbraw/zinc/13/78/97/1033137897.db2.gz WCCRQGUBVUOBBC-GOSISDBHSA-N -1 3 381.472 3.580 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC001626161960 1023937402 /nfs/dbraw/zinc/93/74/02/1023937402.db2.gz HBVWSRYUQTXDIV-UHFFFAOYSA-N -1 3 376.412 3.970 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1[O-] ZINC001138081938 1024024992 /nfs/dbraw/zinc/02/49/92/1024024992.db2.gz OYOZUXJCTXRFGF-UHFFFAOYSA-N -1 3 393.270 3.864 20 0 GHADHM O=C([O-])Cn1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC001138190060 1024336297 /nfs/dbraw/zinc/33/62/97/1024336297.db2.gz JIDMLXIBJFGPDR-UHFFFAOYSA-N -1 3 383.879 3.702 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000837372905 1024389550 /nfs/dbraw/zinc/38/95/50/1024389550.db2.gz RAWHMFCYHCFGPS-UHFFFAOYSA-N -1 3 387.486 3.839 20 0 GHADHM CC(C)c1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(Br)cc2)[nH]1 ZINC000831443763 1024566254 /nfs/dbraw/zinc/56/62/54/1024566254.db2.gz JEODNGFOZMISQS-SECBINFHSA-N -1 3 387.228 3.660 20 0 GHADHM CO[C@H](C)c1nc(COC(=O)c2cc(Br)c(F)cc2[O-])cs1 ZINC000837780740 1024705096 /nfs/dbraw/zinc/70/50/96/1024705096.db2.gz QOKSDZCRYHNTHH-SSDOTTSWSA-N -1 3 390.230 3.815 20 0 GHADHM Cc1cncnc1O[C@@H]1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141360769 1024712820 /nfs/dbraw/zinc/71/28/20/1024712820.db2.gz KCSBGVQLNIACLG-OAQYLSRUSA-N -1 3 389.455 3.804 20 0 GHADHM CC(C)(NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(OC(F)(F)F)cc1 ZINC001156782846 1033238871 /nfs/dbraw/zinc/23/88/71/1033238871.db2.gz OTQGHFCRLBZDEZ-UHFFFAOYSA-N -1 3 383.322 3.685 20 0 GHADHM O=S(=O)(c1cccnc1-c1ccc([O-])cc1C(F)(F)F)N1CCCCC1 ZINC001205080421 1033239737 /nfs/dbraw/zinc/23/97/37/1033239737.db2.gz YGQHGDONOWAZLU-UHFFFAOYSA-N -1 3 386.395 3.648 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3Cc4cccc(C)c4O3)nc(=O)c2c1C ZINC000838242395 1025016535 /nfs/dbraw/zinc/01/65/35/1025016535.db2.gz ILZUSJGCLSLRKZ-FZMZJTMJSA-N -1 3 384.457 3.930 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3Cc4cccc(C)c4O3)nc(=O)c2c1C ZINC000838242392 1025016610 /nfs/dbraw/zinc/01/66/10/1025016610.db2.gz ILZUSJGCLSLRKZ-BXUZGUMPSA-N -1 3 384.457 3.930 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000838557938 1025209129 /nfs/dbraw/zinc/20/91/29/1025209129.db2.gz ACYFDUYXEQDDTL-KBPBESRZSA-N -1 3 381.402 3.597 20 0 GHADHM CCOc1ccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001141502072 1025285779 /nfs/dbraw/zinc/28/57/79/1025285779.db2.gz KBUUSLHMFJMIMH-UHFFFAOYSA-N -1 3 377.466 3.819 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001141518701 1025369210 /nfs/dbraw/zinc/36/92/10/1025369210.db2.gz QIKHCFXNHCDHKX-OAHLLOKOSA-N -1 3 376.497 3.616 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC001161934378 1025504587 /nfs/dbraw/zinc/50/45/87/1025504587.db2.gz WXMDBWZRJZSYFA-IPYPFGDCSA-N -1 3 385.464 3.886 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC(Oc3ccc(F)cc3Cl)CC2)cc1 ZINC001138925094 1025592973 /nfs/dbraw/zinc/59/29/73/1025592973.db2.gz JCARMNXSXRGRSR-UHFFFAOYSA-N -1 3 393.842 3.986 20 0 GHADHM COc1cc(C)ccc1OC1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138926694 1025593788 /nfs/dbraw/zinc/59/37/88/1025593788.db2.gz OYMRZWFJWPQHRY-UHFFFAOYSA-N -1 3 385.460 3.510 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1ccc(C(F)(F)F)nc1 ZINC001461018382 1069338895 /nfs/dbraw/zinc/33/88/95/1069338895.db2.gz ZRFXOWHTAOJVNA-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cccc(Br)n1 ZINC001461018308 1069338915 /nfs/dbraw/zinc/33/89/15/1069338915.db2.gz XYXZHBPWIDMEOW-UHFFFAOYSA-N -1 3 393.241 3.678 20 0 GHADHM C[C@H]1Cc2cccc(Br)c2CN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139097341 1025908929 /nfs/dbraw/zinc/90/89/29/1025908929.db2.gz YYLGJPWNOZBEKA-LBPRGKRZSA-N -1 3 384.281 3.576 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)C2CC2)ccc1F ZINC000839422419 1025912031 /nfs/dbraw/zinc/91/20/31/1025912031.db2.gz CMHYRKVARGFMSG-UHFFFAOYSA-N -1 3 390.480 3.712 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)[n-]n1 ZINC001162880331 1025952011 /nfs/dbraw/zinc/95/20/11/1025952011.db2.gz MRUXLCJMMNJZAA-UHFFFAOYSA-N -1 3 393.447 3.680 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)n[n-]1 ZINC001162880331 1025952015 /nfs/dbraw/zinc/95/20/15/1025952015.db2.gz MRUXLCJMMNJZAA-UHFFFAOYSA-N -1 3 393.447 3.680 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncoc2-c2ccccc2Cl)[n-]n1 ZINC001162885557 1025953980 /nfs/dbraw/zinc/95/39/80/1025953980.db2.gz VCFPGLKIGYPNNZ-UHFFFAOYSA-N -1 3 388.811 3.926 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncoc2-c2ccccc2Cl)n[n-]1 ZINC001162885557 1025953984 /nfs/dbraw/zinc/95/39/84/1025953984.db2.gz VCFPGLKIGYPNNZ-UHFFFAOYSA-N -1 3 388.811 3.926 20 0 GHADHM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141635099 1025976471 /nfs/dbraw/zinc/97/64/71/1025976471.db2.gz CCUGAWMSRKTBHW-STQMWFEESA-N -1 3 388.917 3.541 20 0 GHADHM Cc1ccccc1-c1nsc(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC001163605594 1026249026 /nfs/dbraw/zinc/24/90/26/1026249026.db2.gz MZDNEDCFKDNDRH-QWHCGFSZSA-N -1 3 383.477 3.689 20 0 GHADHM Cc1ccc(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c([O-])c1 ZINC001141734184 1026377373 /nfs/dbraw/zinc/37/73/73/1026377373.db2.gz ZKOXVEONKWDKBQ-UHFFFAOYSA-N -1 3 375.424 3.988 20 0 GHADHM CC(C)(C)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(O)c(C(C)(C)C)c1 ZINC001164348180 1026491476 /nfs/dbraw/zinc/49/14/76/1026491476.db2.gz IHLQLSWDGUJJGV-UHFFFAOYSA-N -1 3 389.521 3.702 20 0 GHADHM COC(=O)[C@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001461134891 1069407508 /nfs/dbraw/zinc/40/75/08/1069407508.db2.gz GJORONKTKUMCOF-LBPRGKRZSA-N -1 3 377.815 3.534 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000834376420 1026960005 /nfs/dbraw/zinc/96/00/05/1026960005.db2.gz PEYBVZWFNXRENR-FQEVSTJZSA-N -1 3 392.521 3.730 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC001166927027 1027156173 /nfs/dbraw/zinc/15/61/73/1027156173.db2.gz WBWHTYWIQOPVMZ-MRXNPFEDSA-N -1 3 375.350 3.555 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(Cl)cnc1OC(C)C)OCC ZINC001203310796 1027268042 /nfs/dbraw/zinc/26/80/42/1027268042.db2.gz AHSDXLLUCALMLI-UHFFFAOYSA-N -1 3 396.875 3.703 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3[C@@H](C)CCC3(C)C)cs2)c1 ZINC001141933337 1027698292 /nfs/dbraw/zinc/69/82/92/1027698292.db2.gz DXPCARXMQBTMDK-ZDUSSCGKSA-N -1 3 387.505 3.741 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)Cc2ccccc2C1 ZINC001210971446 1027728630 /nfs/dbraw/zinc/72/86/30/1027728630.db2.gz LYKPDVPBBWGZMY-UHFFFAOYSA-N -1 3 398.297 3.672 20 0 GHADHM COC(=O)c1nc([N-]c2nccs2)c(Br)cc1Br ZINC001210991298 1027740996 /nfs/dbraw/zinc/74/09/96/1027740996.db2.gz YJAGAKDEIVYACI-UHFFFAOYSA-N -1 3 393.060 3.593 20 0 GHADHM C[C@@H]1Cc2cccc(S(=O)(=O)[N-][C@@H](CCc3ccccc3)C(F)(F)F)c2O1 ZINC001211306283 1027902763 /nfs/dbraw/zinc/90/27/63/1027902763.db2.gz QWSJPXUFGONVEB-DYVFJYSZSA-N -1 3 399.434 3.852 20 0 GHADHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1(C)C ZINC001211444785 1027962457 /nfs/dbraw/zinc/96/24/57/1027962457.db2.gz WIWGRPVYJGFUHW-QWHCGFSZSA-N -1 3 399.406 3.595 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C(C)C)s1 ZINC001211459559 1027970096 /nfs/dbraw/zinc/97/00/96/1027970096.db2.gz WUZBBHVVVVMHNE-KSSFIOAISA-N -1 3 393.530 3.773 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC001211474955 1027977753 /nfs/dbraw/zinc/97/77/53/1027977753.db2.gz WEEKKQNEHALCEV-OAHLLOKOSA-N -1 3 396.875 3.506 20 0 GHADHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1ccccc1 ZINC001213228922 1028056812 /nfs/dbraw/zinc/05/68/12/1028056812.db2.gz QIJNOMPNTPOBOP-GJZGRUSLSA-N -1 3 375.462 3.722 20 0 GHADHM CC1(C)CC(=O)c2ccc(-c3noc(-c4cc(=O)[n-]c(C5CC5)n4)n3)cc2O1 ZINC001213261149 1028074968 /nfs/dbraw/zinc/07/49/68/1028074968.db2.gz HKOAMLFSODYTJP-UHFFFAOYSA-N -1 3 378.388 3.520 20 0 GHADHM Cc1cc(Br)c(F)cc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001213261146 1028075877 /nfs/dbraw/zinc/07/58/77/1028075877.db2.gz HEAJXPALWPXQKN-UHFFFAOYSA-N -1 3 391.200 3.987 20 0 GHADHM NC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2)cc1 ZINC001213388800 1028156510 /nfs/dbraw/zinc/15/65/10/1028156510.db2.gz MVBYEYOLZLISGR-UHFFFAOYSA-N -1 3 383.354 3.765 20 0 GHADHM COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213388704 1028157374 /nfs/dbraw/zinc/15/73/74/1028157374.db2.gz IAEXQTWMKVVIJX-UHFFFAOYSA-N -1 3 375.375 3.579 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3cc(I)ccc3F)no2)n1 ZINC001213699461 1028340002 /nfs/dbraw/zinc/34/00/02/1028340002.db2.gz KFOPAQXQPIXBHE-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCCCC1 ZINC001213741779 1028357632 /nfs/dbraw/zinc/35/76/32/1028357632.db2.gz DIIGKYBZXBRZKF-UHFFFAOYSA-N -1 3 396.347 3.932 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccccc1C(F)(F)F)c1ccc(F)cc1Cl ZINC001213831959 1028396282 /nfs/dbraw/zinc/39/62/82/1028396282.db2.gz QVEIIIFLSFSYIH-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])cc(Br)c1 ZINC001142239085 1028449259 /nfs/dbraw/zinc/44/92/59/1028449259.db2.gz CJRKEEZWCKSFBG-SECBINFHSA-N -1 3 386.192 3.630 20 0 GHADHM COC(=O)c1cc(Nc2c(Cl)ccc([O-])c2F)c(NC(C)=O)cc1OC ZINC001214564763 1028795225 /nfs/dbraw/zinc/79/52/25/1028795225.db2.gz LSGQBMPYYHUMFU-UHFFFAOYSA-N -1 3 382.775 3.682 20 0 GHADHM Cc1cccc(C[C@H](CNCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])c1 ZINC000841793688 1028938569 /nfs/dbraw/zinc/93/85/69/1028938569.db2.gz OQIUJPVKNRRNAI-LJQANCHMSA-N -1 3 397.906 3.926 20 0 GHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)c(C)c1OC ZINC000841795653 1028941140 /nfs/dbraw/zinc/94/11/40/1028941140.db2.gz KZAPYLMRBBOTQA-INIZCTEOSA-N -1 3 394.265 3.690 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001214862798 1028942653 /nfs/dbraw/zinc/94/26/53/1028942653.db2.gz ILTXIUJLABAGRO-QMMMGPOBSA-N -1 3 382.371 3.830 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)c(OC)c3)no2)c1 ZINC001215155383 1029065861 /nfs/dbraw/zinc/06/58/61/1029065861.db2.gz MKHJSWWSLQFQAD-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM [O-]c1cccc(O)c1-c1nc(-c2cc(F)cc(I)c2)no1 ZINC001215301983 1029139572 /nfs/dbraw/zinc/13/95/72/1029139572.db2.gz NDKGWTZYXGXDOW-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM CC(=O)c1cc(-c2nc(-c3ccn4c(Br)cnc4c3)no2)ccc1[O-] ZINC001215364972 1029175663 /nfs/dbraw/zinc/17/56/63/1029175663.db2.gz HKVXAKMXEQHQPP-UHFFFAOYSA-N -1 3 399.204 3.722 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(F)c(Cl)c(F)c3)no2)cc1 ZINC001215447946 1029213853 /nfs/dbraw/zinc/21/38/53/1029213853.db2.gz LQDBGZUJVSHFDE-UHFFFAOYSA-N -1 3 385.779 3.707 20 0 GHADHM CN(Cc1ccc(Cl)cc1C(=O)[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001142669417 1029234334 /nfs/dbraw/zinc/23/43/34/1029234334.db2.gz MCKBRMJDTOMCLI-HNNXBMFYSA-N -1 3 382.888 3.870 20 0 GHADHM O=C(Nc1ccnn1CCc1ccccc1)c1cc([O-])cc(Br)c1 ZINC001142684878 1029264805 /nfs/dbraw/zinc/26/48/05/1029264805.db2.gz BWDLMWQBXDYZIB-UHFFFAOYSA-N -1 3 386.249 3.846 20 0 GHADHM CCOc1ccc(C)c(F)c1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001215761434 1029382836 /nfs/dbraw/zinc/38/28/36/1029382836.db2.gz IEENPXWDMCHZGK-UHFFFAOYSA-N -1 3 379.432 3.714 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(SC(=O)N(C)C)c1)C(C)C ZINC000842586441 1029395681 /nfs/dbraw/zinc/39/56/81/1029395681.db2.gz RGAJRAQNMUHTTH-CYBMUJFWSA-N -1 3 394.946 3.526 20 0 GHADHM CC(C)CCc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)s1 ZINC001461532049 1069594569 /nfs/dbraw/zinc/59/45/69/1069594569.db2.gz OVZYPGCYNWAMHM-UHFFFAOYSA-N -1 3 376.873 3.613 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1 ZINC001215988839 1029481105 /nfs/dbraw/zinc/48/11/05/1029481105.db2.gz IPFZPJQUJHLCIX-UHFFFAOYSA-N -1 3 378.363 3.636 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1Br ZINC001216104046 1029525077 /nfs/dbraw/zinc/52/50/77/1029525077.db2.gz LRRBAMYTKNIVFY-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1Br ZINC001216104046 1029525084 /nfs/dbraw/zinc/52/50/84/1029525084.db2.gz LRRBAMYTKNIVFY-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CCCCCCOc1ccc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)cc1 ZINC001142817925 1029526031 /nfs/dbraw/zinc/52/60/31/1029526031.db2.gz NFGPEOGATANXOM-UHFFFAOYSA-N -1 3 382.464 3.781 20 0 GHADHM Cc1cc([O-])c(-c2nc(-c3ccccc3CN3CCSC3=O)no2)c(O)c1 ZINC001216271296 1029590407 /nfs/dbraw/zinc/59/04/07/1029590407.db2.gz AOGPSIXOJWYDAZ-UHFFFAOYSA-N -1 3 383.429 3.792 20 0 GHADHM CCOc1cc(C)cc(F)c1Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001216367352 1029617435 /nfs/dbraw/zinc/61/74/35/1029617435.db2.gz HOINIZDHBXLKEC-UHFFFAOYSA-N -1 3 379.432 3.714 20 0 GHADHM COCOc1ccc(Br)cc1-c1noc(-c2cc(O)ccc2[O-])n1 ZINC001216737200 1029912987 /nfs/dbraw/zinc/91/29/87/1029912987.db2.gz UBLDUJGIGYLBSF-UHFFFAOYSA-N -1 3 393.193 3.560 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)C1=O ZINC001217355463 1030331365 /nfs/dbraw/zinc/33/13/65/1030331365.db2.gz UQXYHQSOYFPERW-UHFFFAOYSA-N -1 3 398.378 3.512 20 0 GHADHM Cc1c(Br)cccc1-c1noc(-c2cccc3c2[N-]C(=O)C3=O)n1 ZINC001217355816 1030333372 /nfs/dbraw/zinc/33/33/72/1030333372.db2.gz XBNJLEVMPWBNFB-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM COc1cc(-c2noc(-c3ccc([O-])c4ncccc34)n2)cc(OC)c1OC ZINC001217492380 1030438926 /nfs/dbraw/zinc/43/89/26/1030438926.db2.gz VAUNWVWDVPAOIL-UHFFFAOYSA-N -1 3 379.372 3.683 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4cccc(-c5ccccn5)n4)no3)c21 ZINC001217514409 1030456206 /nfs/dbraw/zinc/45/62/06/1030456206.db2.gz UBNGCMJHKLMJIQ-UHFFFAOYSA-N -1 3 398.382 3.524 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccccc2-c2cnco2)no1 ZINC001217636298 1030560762 /nfs/dbraw/zinc/56/07/62/1030560762.db2.gz FGFKVZUDRLEDBN-UHFFFAOYSA-N -1 3 387.355 3.722 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc2cnccc2nc1C(F)(F)F ZINC001150575195 1030575819 /nfs/dbraw/zinc/57/58/19/1030575819.db2.gz MXLOIFLGXNARBL-UHFFFAOYSA-N -1 3 375.306 3.809 20 0 GHADHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001150719558 1030625129 /nfs/dbraw/zinc/62/51/29/1030625129.db2.gz NWQHTOVFOWOACE-GOSISDBHSA-N -1 3 396.882 3.967 20 0 GHADHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001150719558 1030625138 /nfs/dbraw/zinc/62/51/38/1030625138.db2.gz NWQHTOVFOWOACE-GOSISDBHSA-N -1 3 396.882 3.967 20 0 GHADHM COc1nnc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)[n-]1 ZINC001151032037 1030750140 /nfs/dbraw/zinc/75/01/40/1030750140.db2.gz LAYDOYZCCBERBE-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM COc1nc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)n[n-]1 ZINC001151032037 1030750154 /nfs/dbraw/zinc/75/01/54/1030750154.db2.gz LAYDOYZCCBERBE-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM COc1n[n-]c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)n1 ZINC001151032037 1030750171 /nfs/dbraw/zinc/75/01/71/1030750171.db2.gz LAYDOYZCCBERBE-UHFFFAOYSA-N -1 3 379.807 3.934 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC001151372310 1030884498 /nfs/dbraw/zinc/88/44/98/1030884498.db2.gz HPNADZBGODATMA-UHFFFAOYSA-N -1 3 391.427 3.872 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001151374315 1030885827 /nfs/dbraw/zinc/88/58/27/1030885827.db2.gz OHWZNIWTRCBGLJ-UHFFFAOYSA-N -1 3 376.368 3.703 20 0 GHADHM C[C@@H](N)c1ncc(C(=O)[N-]c2c(F)cc(F)c(F)c2Br)s1 ZINC001218830893 1031102300 /nfs/dbraw/zinc/10/23/00/1031102300.db2.gz SYDKKECFYUFVCU-SCSAIBSYSA-N -1 3 380.189 3.595 20 0 GHADHM CCOc1nnc(NC(=O)c2oc3c(cc(Br)cc3C)c2C)[n-]1 ZINC001152342849 1031199187 /nfs/dbraw/zinc/19/91/87/1031199187.db2.gz PAJDZHHBLGHRBD-UHFFFAOYSA-N -1 3 379.214 3.581 20 0 GHADHM CCOc1nc(NC(=O)c2oc3c(cc(Br)cc3C)c2C)n[n-]1 ZINC001152342849 1031199194 /nfs/dbraw/zinc/19/91/94/1031199194.db2.gz PAJDZHHBLGHRBD-UHFFFAOYSA-N -1 3 379.214 3.581 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2oc3c(cc(Br)cc3C)c2C)n1 ZINC001152342849 1031199200 /nfs/dbraw/zinc/19/92/00/1031199200.db2.gz PAJDZHHBLGHRBD-UHFFFAOYSA-N -1 3 379.214 3.581 20 0 GHADHM O=C([N-]c1nnco1)c1c(Br)c2ccccc2nc1C(F)(F)F ZINC001152415074 1031226805 /nfs/dbraw/zinc/22/68/05/1031226805.db2.gz GLIJQYVLJAMEFJ-UHFFFAOYSA-N -1 3 387.115 3.651 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cccc2c1[N-]C(=O)C2=O ZINC001152450436 1031247378 /nfs/dbraw/zinc/24/73/78/1031247378.db2.gz OPFBYXBUNHGEID-UHFFFAOYSA-N -1 3 386.411 3.527 20 0 GHADHM Cc1cc(N)ccc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001219319146 1031355904 /nfs/dbraw/zinc/35/59/04/1031355904.db2.gz NBPMCKBESKKWAP-UHFFFAOYSA-N -1 3 383.492 3.992 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001152843902 1031375084 /nfs/dbraw/zinc/37/50/84/1031375084.db2.gz BQUIJOHFSCXPNA-CHWSQXEVSA-N -1 3 380.510 3.584 20 0 GHADHM O=C(NCC1(Cc2ccncc2)CCOCC1)c1c([O-])ccc2ccccc21 ZINC001153509419 1031625187 /nfs/dbraw/zinc/62/51/87/1031625187.db2.gz AYHARTCXCZMIRM-UHFFFAOYSA-N -1 3 376.456 3.710 20 0 GHADHM O=C([N-]c1nccc(Cl)c1I)c1nc2ccccc2o1 ZINC001153572502 1031651786 /nfs/dbraw/zinc/65/17/86/1031651786.db2.gz XDOJMCXIKCEMCG-UHFFFAOYSA-N -1 3 399.575 3.733 20 0 GHADHM COCc1cc(OCc2ccc(OC)c(OC3CCCC3)c2)[n-]c(=S)n1 ZINC001225932158 1031699939 /nfs/dbraw/zinc/69/99/39/1031699939.db2.gz DILKONICPKERDG-UHFFFAOYSA-N -1 3 376.478 3.821 20 0 GHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877888 1031788662 /nfs/dbraw/zinc/78/86/62/1031788662.db2.gz IPCVCCWGWHNQLB-NEPJUHHUSA-N -1 3 377.282 3.847 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)c3c([O-])cc4ccccc4c3O)c(C(N)=O)c2C1 ZINC001154023637 1031880549 /nfs/dbraw/zinc/88/05/49/1031880549.db2.gz ZKUBKQJMXWBXKF-JTQLQIEISA-N -1 3 396.468 3.789 20 0 GHADHM COC(=O)c1ccc2[n-]c(O[C@H]3COc4c3cccc4Br)nc2c1 ZINC001226258379 1031883137 /nfs/dbraw/zinc/88/31/37/1031883137.db2.gz NLKAPRXNGYVSEG-AWEZNQCLSA-N -1 3 389.205 3.625 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCn2cc(-c3ccccc3)nc2C1 ZINC001154027130 1031884158 /nfs/dbraw/zinc/88/41/58/1031884158.db2.gz SHCHTNWWIQBCLF-UHFFFAOYSA-N -1 3 385.423 3.771 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cc(Br)c(C(F)(F)F)cc1F ZINC001154068292 1031908777 /nfs/dbraw/zinc/90/87/77/1031908777.db2.gz VXVMDADXFAAIOC-UHFFFAOYSA-N -1 3 379.107 3.960 20 0 GHADHM CC(=O)CCCCCCC(=O)Nc1ccc(I)cc1[O-] ZINC001154104935 1031929879 /nfs/dbraw/zinc/92/98/79/1031929879.db2.gz XZEVWRKHVPHIKU-UHFFFAOYSA-N -1 3 389.233 3.865 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc(C)cc(C(F)(F)F)c3)[n-]nc21 ZINC001154146284 1031950559 /nfs/dbraw/zinc/95/05/59/1031950559.db2.gz BESCYYNJMLEXLF-UHFFFAOYSA-N -1 3 377.322 3.929 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cc(C)cc(C(F)(F)F)c3)n[n-]c21 ZINC001154146284 1031950565 /nfs/dbraw/zinc/95/05/65/1031950565.db2.gz BESCYYNJMLEXLF-UHFFFAOYSA-N -1 3 377.322 3.929 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001226478822 1031973110 /nfs/dbraw/zinc/97/31/10/1031973110.db2.gz JDZGXFKGYLNRHW-BLLLJJGKSA-N -1 3 379.453 3.715 20 0 GHADHM O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154213267 1031988251 /nfs/dbraw/zinc/98/82/51/1031988251.db2.gz PFRPKLRKAVOMAJ-UHFFFAOYSA-N -1 3 397.438 3.597 20 0 GHADHM C[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1cccc(Br)n1 ZINC001226550091 1032008794 /nfs/dbraw/zinc/00/87/94/1032008794.db2.gz LZWYRRLNIYEVIY-ZETCQYMHSA-N -1 3 381.617 3.681 20 0 GHADHM COc1ccccc1[C@@H]1CSCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001154259722 1032008670 /nfs/dbraw/zinc/00/86/70/1032008670.db2.gz LXFADALWZWTAPH-KRWDZBQOSA-N -1 3 375.465 3.789 20 0 GHADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226594781 1032031317 /nfs/dbraw/zinc/03/13/17/1032031317.db2.gz BDXXLAHKRPFFAC-IUODEOHRSA-N -1 3 375.421 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226596873 1032032033 /nfs/dbraw/zinc/03/20/33/1032032033.db2.gz ODKLFEJJPADSRG-UKRRQHHQSA-N -1 3 393.411 3.615 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226596871 1032032636 /nfs/dbraw/zinc/03/26/36/1032032636.db2.gz ODKLFEJJPADSRG-HIFRSBDPSA-N -1 3 393.411 3.615 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597869 1032034201 /nfs/dbraw/zinc/03/42/01/1032034201.db2.gz WWOZFYRNTMQHCK-AWEZNQCLSA-N -1 3 375.421 3.667 20 0 GHADHM COCCN1CCC(Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccccc2)O3)CC1 ZINC001229231212 1033355454 /nfs/dbraw/zinc/35/54/54/1033355454.db2.gz TZWWBLOFIMYDSN-FQEVSTJZSA-N -1 3 397.471 3.588 20 0 GHADHM CO[C@@H](C)CO[C@@H](C)COc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267960 1033380044 /nfs/dbraw/zinc/38/00/44/1033380044.db2.gz XKEFYEPWJWEPIT-GJZGRUSLSA-N -1 3 384.428 3.984 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC001229342437 1033425796 /nfs/dbraw/zinc/42/57/96/1033425796.db2.gz RGARGFBSXYASSG-SNVBAGLBSA-N -1 3 380.326 3.914 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC001229342437 1033425801 /nfs/dbraw/zinc/42/58/01/1033425801.db2.gz RGARGFBSXYASSG-SNVBAGLBSA-N -1 3 380.326 3.914 20 0 GHADHM C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157232141 1033484150 /nfs/dbraw/zinc/48/41/50/1033484150.db2.gz AVEAFAIDACNKFT-VIFPVBQESA-N -1 3 399.373 3.662 20 0 GHADHM C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001157235632 1033487081 /nfs/dbraw/zinc/48/70/81/1033487081.db2.gz YLBGPKMVUNTGHX-MRVPVSSYSA-N -1 3 399.373 3.506 20 0 GHADHM FC(F)(F)c1n[nH]c2c1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001157348238 1033548763 /nfs/dbraw/zinc/54/87/63/1033548763.db2.gz VCJLQGXYTNXYQO-VIFPVBQESA-N -1 3 385.749 3.825 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1[O-] ZINC001157756894 1033755753 /nfs/dbraw/zinc/75/57/53/1033755753.db2.gz FBUGXJPCJDDYJS-LJQANCHMSA-N -1 3 383.444 3.716 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1csc(-c2ccco2)n1 ZINC001158340510 1034033637 /nfs/dbraw/zinc/03/36/37/1034033637.db2.gz YVVAKDIDLVPNDI-UHFFFAOYSA-N -1 3 394.412 3.736 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1csc(-c2ccco2)n1 ZINC001158340510 1034033644 /nfs/dbraw/zinc/03/36/44/1034033644.db2.gz YVVAKDIDLVPNDI-UHFFFAOYSA-N -1 3 394.412 3.736 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)[C@@H]2CCc3ccccc3C2)[n-]n1 ZINC001158345248 1034037495 /nfs/dbraw/zinc/03/74/95/1034037495.db2.gz LSTLDSFEMGBOMS-GOSISDBHSA-N -1 3 375.428 3.510 20 0 GHADHM O=C(OCc1ccccc1)c1cc(NC(=O)[C@@H]2CCc3ccccc3C2)n[n-]1 ZINC001158345248 1034037507 /nfs/dbraw/zinc/03/75/07/1034037507.db2.gz LSTLDSFEMGBOMS-GOSISDBHSA-N -1 3 375.428 3.510 20 0 GHADHM CC[C@@H](C)N1CCC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)C1=O ZINC001277547875 1034817472 /nfs/dbraw/zinc/81/74/72/1034817472.db2.gz JKYGVMWSESUQFQ-CQSZACIVSA-N -1 3 395.341 3.768 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC001208314412 1034856707 /nfs/dbraw/zinc/85/67/07/1034856707.db2.gz NAHGEZILTWGXQP-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM CN(C[C@H](O)Cc1ccccc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001160104715 1034861678 /nfs/dbraw/zinc/86/16/78/1034861678.db2.gz SYGOUZHXEJQLQP-JOCHJYFZSA-N -1 3 389.495 3.853 20 0 GHADHM CN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231745799 1034877057 /nfs/dbraw/zinc/87/70/57/1034877057.db2.gz KIBDXJVRKQUKGL-UHFFFAOYSA-N -1 3 393.709 3.765 20 0 GHADHM CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C(C)=O)c3[O-])c(=O)oc2c1 ZINC001160320548 1034939641 /nfs/dbraw/zinc/93/96/41/1034939641.db2.gz AKNYKLHBZNUXFJ-UHFFFAOYSA-N -1 3 394.427 3.800 20 0 GHADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001160347732 1034947930 /nfs/dbraw/zinc/94/79/30/1034947930.db2.gz RCUKXGWICCILLD-OLZOCXBDSA-N -1 3 386.945 3.998 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)o2)cc1 ZINC001160948422 1035101126 /nfs/dbraw/zinc/10/11/26/1035101126.db2.gz JSYGKZOUUAXUCE-UHFFFAOYSA-N -1 3 387.399 3.505 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)o2)cc1 ZINC001160948422 1035101135 /nfs/dbraw/zinc/10/11/35/1035101135.db2.gz JSYGKZOUUAXUCE-UHFFFAOYSA-N -1 3 387.399 3.505 20 0 GHADHM Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(OCCCC(C)C)c1 ZINC001160975934 1035110539 /nfs/dbraw/zinc/11/05/39/1035110539.db2.gz HXUXXPAVBTXERC-UHFFFAOYSA-N -1 3 394.471 3.624 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3C[C@]3(C)C(C)C)cs2)c1 ZINC001161141651 1035156745 /nfs/dbraw/zinc/15/67/45/1035156745.db2.gz DIYRWUBHMNWGEA-OXJNMPFZSA-N -1 3 387.505 3.503 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC001161288601 1035203217 /nfs/dbraw/zinc/20/32/17/1035203217.db2.gz DVISOKKXXGUXDE-HXOBKFHXSA-N -1 3 385.504 3.931 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2c1=O ZINC001161521493 1035249448 /nfs/dbraw/zinc/24/94/48/1035249448.db2.gz OVHIUKSKJJJILP-UHFFFAOYSA-N -1 3 397.822 3.614 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001161553387 1035256966 /nfs/dbraw/zinc/25/69/66/1035256966.db2.gz KQQHCIRUXSIMDQ-IAGOWNOFSA-N -1 3 385.464 3.886 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)c(F)c1 ZINC001209387489 1035265476 /nfs/dbraw/zinc/26/54/76/1035265476.db2.gz QIDIVRODQMIKKZ-AWEZNQCLSA-N -1 3 379.453 3.659 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@H]1CCN(c2ccccc2F)C1=O ZINC001461960494 1069915605 /nfs/dbraw/zinc/91/56/05/1069915605.db2.gz CZMVZLANNXEDRL-HNNXBMFYSA-N -1 3 393.256 3.531 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2oc3ccccc3c2C)c(F)c1 ZINC001209652470 1035343330 /nfs/dbraw/zinc/34/33/30/1035343330.db2.gz LEIVSCHCWDKOMJ-UHFFFAOYSA-N -1 3 391.420 3.536 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1 ZINC001209684353 1035354792 /nfs/dbraw/zinc/35/47/92/1035354792.db2.gz ZRLVTKHYKUBMID-VHSXEESVSA-N -1 3 376.956 3.902 20 0 GHADHM CC1(CCNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC001248435406 1035850699 /nfs/dbraw/zinc/85/06/99/1035850699.db2.gz GZYBEIITJAGTEL-CYBMUJFWSA-N -1 3 383.414 3.559 20 0 GHADHM CCC[C@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)c1ccccc1 ZINC001462212756 1070086655 /nfs/dbraw/zinc/08/66/55/1070086655.db2.gz UNTZFMREGIGHPC-AWEZNQCLSA-N -1 3 395.550 3.742 20 0 GHADHM Cc1cc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)cc(C)c1Br ZINC001232521821 1038286309 /nfs/dbraw/zinc/28/63/09/1038286309.db2.gz SYROJUPCKLGPLI-UHFFFAOYSA-N -1 3 393.247 3.709 20 0 GHADHM [O-]c1c(Cl)ccc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c1Cl ZINC001232626676 1038415410 /nfs/dbraw/zinc/41/54/10/1038415410.db2.gz SOIKVARAQZSPMD-UHFFFAOYSA-N -1 3 378.303 3.802 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@@]2(CCCN(Cc3cccc([O-])c3Cl)C2)C1 ZINC001232785937 1038551848 /nfs/dbraw/zinc/55/18/48/1038551848.db2.gz MEXLCGBTEDZUHZ-HXUWFJFHSA-N -1 3 396.915 3.648 20 0 GHADHM CN(Cc1ccco1)[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H]2CCCO[C@H]12 ZINC001232787332 1038553759 /nfs/dbraw/zinc/55/37/59/1038553759.db2.gz LHVRCGMPFQJQLD-CDXJDZJCSA-N -1 3 390.911 3.750 20 0 GHADHM O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2Cc1cccc([O-])c1Cl ZINC001232787891 1038555840 /nfs/dbraw/zinc/55/58/40/1038555840.db2.gz UESLGIGXCQNTNS-OAQYLSRUSA-N -1 3 385.895 3.598 20 0 GHADHM Cc1cc([C@H]2CCCN2Cc2ccc([O-])c(I)c2)no1 ZINC001232867389 1038632376 /nfs/dbraw/zinc/63/23/76/1038632376.db2.gz FEYJHNQNCDXWLV-CQSZACIVSA-N -1 3 384.217 3.630 20 0 GHADHM COc1cccc2c1CN(Cc1ccc([O-])c(I)c1)C2 ZINC001232869597 1038636646 /nfs/dbraw/zinc/63/66/46/1038636646.db2.gz GMRLFJYLAYVWIC-UHFFFAOYSA-N -1 3 381.213 3.521 20 0 GHADHM O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232936146 1038716878 /nfs/dbraw/zinc/71/68/78/1038716878.db2.gz QDYANYKWNCQKCF-IBGZPJMESA-N -1 3 378.444 3.751 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3cc(Cl)ncc3[O-])CC2)C1 ZINC001233033199 1038788562 /nfs/dbraw/zinc/78/85/62/1038788562.db2.gz BCPMWUCIPKMAIN-UHFFFAOYSA-N -1 3 381.904 3.520 20 0 GHADHM CC[C@@H]1N(Cc2c(F)ccc([O-])c2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233394601 1039228015 /nfs/dbraw/zinc/22/80/15/1039228015.db2.gz SZMBUBZIRMRFME-RXVVDRJESA-N -1 3 378.463 3.816 20 0 GHADHM COc1ccc(CN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(Cl)c1[O-] ZINC001233397920 1039232204 /nfs/dbraw/zinc/23/22/04/1039232204.db2.gz QCDLXZBOWJQQGM-BETUJISGSA-N -1 3 384.904 3.884 20 0 GHADHM COc1ccc(CN(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398750 1039235063 /nfs/dbraw/zinc/23/50/63/1039235063.db2.gz XQMKNFWNSHSPIJ-CQSZACIVSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CCN(CC3CC3)c3nc(C)ccc3C2)c(Cl)c1[O-] ZINC001233399868 1039238334 /nfs/dbraw/zinc/23/83/34/1039238334.db2.gz MLRQFDFPZVRZDC-UHFFFAOYSA-N -1 3 387.911 3.990 20 0 GHADHM COc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(Cl)c1[O-] ZINC001233401709 1039243520 /nfs/dbraw/zinc/24/35/20/1039243520.db2.gz KWNRTFVZHAZNGX-GXTWGEPZSA-N -1 3 384.904 3.932 20 0 GHADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001233593384 1039465877 /nfs/dbraw/zinc/46/58/77/1039465877.db2.gz WUIMCFAEFHCRRS-ZDUSSCGKSA-N -1 3 383.872 3.901 20 0 GHADHM CCCS(=O)(=O)[N-]c1ccccc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253715234 1039777532 /nfs/dbraw/zinc/77/75/32/1039777532.db2.gz FYYFQXMRELSYGZ-OAHLLOKOSA-N -1 3 398.525 3.617 20 0 GHADHM CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](Oc3c(Cl)ccc([O-])c3F)CC[C@@H]21 ZINC001234264346 1039944406 /nfs/dbraw/zinc/94/44/06/1039944406.db2.gz QMAMNSXIHBGJGF-RBOXIYTFSA-N -1 3 387.835 3.730 20 0 GHADHM CO[C@H](C)CO[C@H](C)COc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380512 1039991627 /nfs/dbraw/zinc/99/16/27/1039991627.db2.gz DYRPBSMPUIFSCF-HUUCEWRRSA-N -1 3 384.428 3.984 20 0 GHADHM CC(=O)N1CCC(Oc2c(=O)c3ccccc3oc2-c2ccccc2[O-])CC1 ZINC001234380039 1039992148 /nfs/dbraw/zinc/99/21/48/1039992148.db2.gz PEDLRUXVIQILNU-UHFFFAOYSA-N -1 3 379.412 3.555 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccccc2C)c1Br ZINC001254618535 1040389947 /nfs/dbraw/zinc/38/99/47/1040389947.db2.gz GVABHGHXINYGPB-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM O=c1c(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)c[n-]c2ccc(F)cc21 ZINC001255385424 1040975039 /nfs/dbraw/zinc/97/50/39/1040975039.db2.gz DXAUVGULRJEZCX-HNNXBMFYSA-N -1 3 390.418 3.707 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001255446602 1041047605 /nfs/dbraw/zinc/04/76/05/1041047605.db2.gz ADCBHMNYNWSGJL-MGPQQGTHSA-N -1 3 383.414 3.557 20 0 GHADHM [O-]c1c(F)ccc(CN2CCN[C@@H](c3cccc(Br)c3)C2)c1F ZINC001235800709 1041306452 /nfs/dbraw/zinc/30/64/52/1041306452.db2.gz PAHFQCYMOPJPFN-OAHLLOKOSA-N -1 3 383.236 3.579 20 0 GHADHM CCCCCc1nnc([C@H](Cc2ccc(O)cc2)[N-]S(=O)(=O)CCCC)o1 ZINC001256097725 1041524506 /nfs/dbraw/zinc/52/45/06/1041524506.db2.gz ZOHAZBSLNUJOFA-KRWDZBQOSA-N -1 3 395.525 3.511 20 0 GHADHM C[C@H](Cc1cccc(Br)c1)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001256190345 1041634857 /nfs/dbraw/zinc/63/48/57/1041634857.db2.gz LURJJJDEZHAMAS-LLVKDONJSA-N -1 3 393.247 3.523 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(Br)c([O-])c3)C[C@@H]21 ZINC001236683596 1041829460 /nfs/dbraw/zinc/82/94/60/1041829460.db2.gz JNKFXKZBYCYUHG-ZFWWWQNUSA-N -1 3 397.313 3.596 20 0 GHADHM O=C1Nc2ccccc2C12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236684649 1041830439 /nfs/dbraw/zinc/83/04/39/1041830439.db2.gz VHCAHPUFDWJAEL-UHFFFAOYSA-N -1 3 387.277 3.641 20 0 GHADHM [O-]c1cc(CN2CCN(c3ccc(Cl)cn3)CC2)ccc1Br ZINC001236686663 1041831147 /nfs/dbraw/zinc/83/11/47/1041831147.db2.gz AKOYPVRFWXURGZ-UHFFFAOYSA-N -1 3 382.689 3.525 20 0 GHADHM [O-]c1cc(CN2CCN(c3ccc(F)cc3F)CC2)ccc1Br ZINC001236688730 1041833146 /nfs/dbraw/zinc/83/31/46/1041833146.db2.gz ZXMUVMHYRRBXOO-UHFFFAOYSA-N -1 3 383.236 3.755 20 0 GHADHM C[C@H]1CN(Cc2ccc(Br)c([O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001236699341 1041839819 /nfs/dbraw/zinc/83/98/19/1041839819.db2.gz QWPJCYFHPCWDOZ-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccccc1OC(C)(C)C ZINC001237029993 1041997077 /nfs/dbraw/zinc/99/70/77/1041997077.db2.gz WINLEHOPEBLVRU-INIZCTEOSA-N -1 3 376.497 3.880 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1sc(=O)[n-]c1Cl ZINC001237163295 1042068582 /nfs/dbraw/zinc/06/85/82/1042068582.db2.gz AEVNLXYAFYLHEX-ZDUSSCGKSA-N -1 3 380.897 3.771 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](N(Cc2occc2[S-])Cc2ccncc2)C1 ZINC001237181030 1042081165 /nfs/dbraw/zinc/08/11/65/1042081165.db2.gz CNWAIFFJKMOCST-INIZCTEOSA-N -1 3 389.521 3.975 20 0 GHADHM Cc1cccc(COCc2cnc3n2CCN(Cc2cc([O-])cc(F)c2)[C@H]3C)n1 ZINC001237280150 1042121363 /nfs/dbraw/zinc/12/13/63/1042121363.db2.gz XLHZIHCQWRZJLF-INIZCTEOSA-N -1 3 396.466 3.725 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC001238234954 1042528140 /nfs/dbraw/zinc/52/81/40/1042528140.db2.gz NZSMLZAUXWWVIV-UHFFFAOYSA-N -1 3 396.462 3.681 20 0 GHADHM Cc1cccc(N2CCCN(Cc3c(Br)ccc([O-])c3F)CC2)n1 ZINC001238309247 1042551104 /nfs/dbraw/zinc/55/11/04/1042551104.db2.gz MQVDEWJVPXEQGF-UHFFFAOYSA-N -1 3 394.288 3.710 20 0 GHADHM O=C([N-]CCNc1ncccc1C(F)(F)F)C(F)(F)c1ccccc1F ZINC001291690169 1043396144 /nfs/dbraw/zinc/39/61/44/1043396144.db2.gz LKNYFPYUZZJIIC-UHFFFAOYSA-N -1 3 377.288 3.560 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1cccc2ccccc21)c1ccc(Cl)s1 ZINC001256533668 1043466086 /nfs/dbraw/zinc/46/60/86/1043466086.db2.gz JUMRHDJCUORJQD-HNNXBMFYSA-N -1 3 381.906 3.957 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1[O-] ZINC001291845023 1043497001 /nfs/dbraw/zinc/49/70/01/1043497001.db2.gz SVJCFCPLLWWSKA-UHFFFAOYSA-N -1 3 376.840 3.692 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccc(Cl)s1 ZINC001256547522 1043509148 /nfs/dbraw/zinc/50/91/48/1043509148.db2.gz BEJZJEMGFZOAMS-ZDUSSCGKSA-N -1 3 391.345 3.608 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1F)c1c[n-]c2ccc(Br)cc2c1=O ZINC001291891399 1043516584 /nfs/dbraw/zinc/51/65/84/1043516584.db2.gz OOIYMDOQGJBHMF-UHFFFAOYSA-N -1 3 397.150 3.960 20 0 GHADHM COC(=O)c1cc(C(=O)N=c2sccn2Cc2cccc3ccccc32)c[n-]1 ZINC001292843614 1043909738 /nfs/dbraw/zinc/90/97/38/1043909738.db2.gz BTRPEFUGACQQPM-UHFFFAOYSA-N -1 3 391.452 3.607 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC001257293186 1043959524 /nfs/dbraw/zinc/95/95/24/1043959524.db2.gz KVIAUQFZJXJECH-UHFFFAOYSA-N -1 3 378.252 3.880 20 0 GHADHM Cc1ccc(Cn2nccc2NC(=O)c2cc([O-])cc(Br)c2)o1 ZINC001293008310 1043981299 /nfs/dbraw/zinc/98/12/99/1043981299.db2.gz YNAJQIMUBGCGDH-UHFFFAOYSA-N -1 3 376.210 3.553 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC001257758723 1044147679 /nfs/dbraw/zinc/14/76/79/1044147679.db2.gz MESMLKQFBHNXON-UHFFFAOYSA-N -1 3 395.843 3.883 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC001257770467 1044161287 /nfs/dbraw/zinc/16/12/87/1044161287.db2.gz FPHJTABSUUGFKW-CQSZACIVSA-N -1 3 378.252 3.535 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001293461226 1044191551 /nfs/dbraw/zinc/19/15/51/1044191551.db2.gz FLXZRIBXVCNVIQ-UHFFFAOYSA-N -1 3 399.443 3.686 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001294200954 1044522291 /nfs/dbraw/zinc/52/22/91/1044522291.db2.gz CBSAHTUWCMITJZ-GFCCVEGCSA-N -1 3 377.282 3.799 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001294200955 1044522636 /nfs/dbraw/zinc/52/26/36/1044522636.db2.gz CBSAHTUWCMITJZ-LBPRGKRZSA-N -1 3 377.282 3.799 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCCC[C@@H]1C ZINC001462836157 1070584271 /nfs/dbraw/zinc/58/42/71/1070584271.db2.gz QVRQXANMUCMGGD-WDEREUQCSA-N -1 3 383.316 3.674 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC001258466498 1044573754 /nfs/dbraw/zinc/57/37/54/1044573754.db2.gz ZOOQNQDXMOCKCH-ZETCQYMHSA-N -1 3 382.700 3.728 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c(F)c(F)c(F)c(F)c1F)C(=O)C2 ZINC001258972417 1044912224 /nfs/dbraw/zinc/91/22/24/1044912224.db2.gz AAGHJOZHCSLPHN-GYKQLYQFSA-N -1 3 397.365 3.519 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cncc(-c3ccccc3)c1)C(=O)C2 ZINC001258979762 1044917566 /nfs/dbraw/zinc/91/75/66/1044917566.db2.gz DTXSFGPIRDZJFQ-DYESRHJHSA-N -1 3 384.501 3.886 20 0 GHADHM O=S(=O)([N-]c1cnc(C(F)(F)F)cc1Cl)c1cc(F)c(F)cc1F ZINC001259034855 1044928106 /nfs/dbraw/zinc/92/81/06/1044928106.db2.gz GYZXDQJKJLNMGM-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM C[C@H](CO[N-]C(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001295154525 1044933495 /nfs/dbraw/zinc/93/34/95/1044933495.db2.gz GWMBLRXYTZELEP-MRXNPFEDSA-N -1 3 384.476 3.857 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(F)c1 ZINC001259050054 1044936361 /nfs/dbraw/zinc/93/63/61/1044936361.db2.gz ICBRULFLLQYSAP-UHFFFAOYSA-N -1 3 384.432 3.653 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Br)c(C)c1 ZINC001259096878 1044960431 /nfs/dbraw/zinc/96/04/31/1044960431.db2.gz MUCABMYIGDTRKT-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001295254708 1044966213 /nfs/dbraw/zinc/96/62/13/1044966213.db2.gz MJNZYLBZGCNSPA-HNNXBMFYSA-N -1 3 384.863 3.595 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)nc1Cl)c1cccc2cnccc21 ZINC001259151478 1044980650 /nfs/dbraw/zinc/98/06/50/1044980650.db2.gz KLKFRYNYTNJXFL-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC001259230991 1045025771 /nfs/dbraw/zinc/02/57/71/1045025771.db2.gz QSDAYRBLMJBNHY-UHFFFAOYSA-N -1 3 396.512 3.973 20 0 GHADHM O=S(=O)([N-]c1c(CO)ccc(F)c1F)c1cccc(-c2ccccc2)c1 ZINC001259231112 1045025988 /nfs/dbraw/zinc/02/59/88/1045025988.db2.gz BHNGEJMRBGHYGN-UHFFFAOYSA-N -1 3 375.396 3.925 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccc(F)cc1 ZINC001259231799 1045027523 /nfs/dbraw/zinc/02/75/23/1045027523.db2.gz IJNXVRGMHGZOOJ-HXUWFJFHSA-N -1 3 399.443 3.685 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCCC4)cc3)cc2o1 ZINC001259384009 1045113170 /nfs/dbraw/zinc/11/31/70/1045113170.db2.gz MTXIZYPUNKYDQG-UHFFFAOYSA-N -1 3 387.461 3.715 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 ZINC001259408008 1045131306 /nfs/dbraw/zinc/13/13/06/1045131306.db2.gz OYWWOQIKMBBKDM-UHFFFAOYSA-N -1 3 388.489 3.894 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC001259447297 1045162813 /nfs/dbraw/zinc/16/28/13/1045162813.db2.gz AWMMSSCVVTYKFQ-CYBMUJFWSA-N -1 3 381.322 3.870 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)nc2Cl)cc1F ZINC001259475344 1045187088 /nfs/dbraw/zinc/18/70/88/1045187088.db2.gz OGFVDRZVCUWTGY-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)c1 ZINC001462892316 1070632021 /nfs/dbraw/zinc/63/20/21/1070632021.db2.gz QSYHEAAONIDYLR-HNNXBMFYSA-N -1 3 388.514 3.864 20 0 GHADHM O=S(=O)([N-]Cc1cc(-c2ccccc2F)no1)c1ccc(Cl)cc1F ZINC001259515613 1045217872 /nfs/dbraw/zinc/21/78/72/1045217872.db2.gz NBYAPJYNHUPUKO-UHFFFAOYSA-N -1 3 384.791 3.752 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001259663346 1045262895 /nfs/dbraw/zinc/26/28/95/1045262895.db2.gz PHSYHJOMCBOWIB-AWEZNQCLSA-N -1 3 391.468 3.890 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)cc1 ZINC001259718904 1045274241 /nfs/dbraw/zinc/27/42/41/1045274241.db2.gz FWKLKDMGLUBNOX-UHFFFAOYSA-N -1 3 396.900 3.718 20 0 GHADHM CCc1cc(=NC(=O)c2cc(Br)c(C)nc2[O-])c2ccccc2[nH]1 ZINC001296279670 1045294097 /nfs/dbraw/zinc/29/40/97/1045294097.db2.gz DMSGJCLGLJKNDC-UHFFFAOYSA-N -1 3 386.249 3.643 20 0 GHADHM O=S(=O)(CCc1ccccc1F)[N-]c1cnc(Br)c(Cl)c1 ZINC001259780508 1045301774 /nfs/dbraw/zinc/30/17/74/1045301774.db2.gz HIRZKFSSXMKXQY-UHFFFAOYSA-N -1 3 393.665 3.621 20 0 GHADHM CO[C@H](CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(F)(F)F ZINC001296455557 1045318481 /nfs/dbraw/zinc/31/84/81/1045318481.db2.gz PQMXDLWGEYZWDN-GOSISDBHSA-N -1 3 381.394 3.875 20 0 GHADHM CCCC[C@H](CC)COC(=O)c1ccc([N-]S(=O)(=O)C2CCOCC2)cc1 ZINC001259915458 1045334029 /nfs/dbraw/zinc/33/40/29/1045334029.db2.gz HTFLVKIQCBZLSF-INIZCTEOSA-N -1 3 397.537 3.981 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cc(Cl)cc1C(F)(F)F)C1CCOCC1 ZINC001259907636 1045334045 /nfs/dbraw/zinc/33/40/45/1045334045.db2.gz UQLBQXGIHFYQAB-UHFFFAOYSA-N -1 3 378.199 3.933 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3c(Br)cc(C)cc3C2)cc1[O-] ZINC001296711558 1045359907 /nfs/dbraw/zinc/35/99/07/1045359907.db2.gz OXBYVXJNDKJJNG-UHFFFAOYSA-N -1 3 388.261 3.864 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001260032555 1045364428 /nfs/dbraw/zinc/36/44/28/1045364428.db2.gz HIPVUWWHBQLTCI-UHFFFAOYSA-N -1 3 387.379 3.824 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(F)(F)F)cc1 ZINC001260239509 1045422668 /nfs/dbraw/zinc/42/26/68/1045422668.db2.gz ZCYRBPWOAATIGB-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001260308818 1045453432 /nfs/dbraw/zinc/45/34/32/1045453432.db2.gz UAVJDXBBKVRZEE-UHFFFAOYSA-N -1 3 382.656 3.555 20 0 GHADHM O=c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n(C2CCCC2)[n-]1 ZINC001260466279 1045505795 /nfs/dbraw/zinc/50/57/95/1045505795.db2.gz MMISEEZZTQIQHU-UHFFFAOYSA-N -1 3 382.294 3.873 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)OC)cc2)cc1 ZINC001260569746 1045554595 /nfs/dbraw/zinc/55/45/95/1045554595.db2.gz GFFMUMCIZJICPT-UHFFFAOYSA-N -1 3 375.490 3.936 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/C(=O)OC)cc2)cc1 ZINC001260577002 1045562985 /nfs/dbraw/zinc/56/29/85/1045562985.db2.gz DGOALZIZYLFGAR-VGOFMYFVSA-N -1 3 389.473 3.853 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)OC)cc1 ZINC001260578883 1045567304 /nfs/dbraw/zinc/56/73/04/1045567304.db2.gz STYKIRNNLZABHX-UHFFFAOYSA-N -1 3 381.425 3.592 20 0 GHADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001297827557 1045630066 /nfs/dbraw/zinc/63/00/66/1045630066.db2.gz QNEMZQTVOSMFCJ-LLVKDONJSA-N -1 3 377.466 3.557 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc([O-])c1Br ZINC001260772986 1045652115 /nfs/dbraw/zinc/65/21/15/1045652115.db2.gz KMIHVUQFPRMVDM-UHFFFAOYSA-N -1 3 386.267 3.581 20 0 GHADHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)nc1Cl ZINC001260778648 1045657026 /nfs/dbraw/zinc/65/70/26/1045657026.db2.gz FSPJLHGJVUNFQJ-UHFFFAOYSA-N -1 3 382.656 3.555 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C(F)(F)F)c1 ZINC001260813497 1045681005 /nfs/dbraw/zinc/68/10/05/1045681005.db2.gz JEEKNRHAXVMJAX-INIZCTEOSA-N -1 3 386.395 3.535 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC001260825576 1045692245 /nfs/dbraw/zinc/69/22/45/1045692245.db2.gz XVLWVWJQEJINQP-AWEZNQCLSA-N -1 3 396.336 3.923 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cnc2c(C3CCC3)cnn2c1 ZINC001260829066 1045698162 /nfs/dbraw/zinc/69/81/62/1045698162.db2.gz PUGYSSZNJLMALT-UHFFFAOYSA-N -1 3 376.869 3.592 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(F)cc1Cl ZINC001260833156 1045701052 /nfs/dbraw/zinc/70/10/52/1045701052.db2.gz IGVPFNARWNSZLJ-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC001260900193 1045758173 /nfs/dbraw/zinc/75/81/73/1045758173.db2.gz JUNXKVUTDUPCKQ-AWEZNQCLSA-N -1 3 395.443 3.635 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Br)c1ccc2c(c1)CCCC2 ZINC001260978417 1045794112 /nfs/dbraw/zinc/79/41/12/1045794112.db2.gz QESKWYYCCVTPIK-UHFFFAOYSA-N -1 3 385.258 3.663 20 0 GHADHM CC1(C)NC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC001260983032 1045798438 /nfs/dbraw/zinc/79/84/38/1045798438.db2.gz WAYBDLAAHDHVPM-UHFFFAOYSA-N -1 3 385.489 3.736 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C)c1ccc2ccccc2c1 ZINC001261002051 1045818546 /nfs/dbraw/zinc/81/85/46/1045818546.db2.gz GHKHWHTVXFAWJC-HXUWFJFHSA-N -1 3 383.469 3.649 20 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1045882517 /nfs/dbraw/zinc/88/25/17/1045882517.db2.gz SPZQLDCGLGTYFS-NSHDSACASA-N -1 3 387.910 3.844 20 0 GHADHM O=c1[nH]ccc2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC001261080741 1045894957 /nfs/dbraw/zinc/89/49/57/1045894957.db2.gz HHRNBSNESJMURO-UHFFFAOYSA-N -1 3 383.256 3.777 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1ccccc1C1OCCO1 ZINC001261082405 1045898333 /nfs/dbraw/zinc/89/83/33/1045898333.db2.gz ZSVRCVCKSRPCRG-UHFFFAOYSA-N -1 3 388.272 3.981 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001261263019 1045946698 /nfs/dbraw/zinc/94/66/98/1045946698.db2.gz UNGRZIREBLMXBS-VIFPVBQESA-N -1 3 382.791 3.646 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1noc(C(F)F)n1 ZINC001299105457 1046011956 /nfs/dbraw/zinc/01/19/56/1046011956.db2.gz JLZJTYGFDZNKBN-SNVBAGLBSA-N -1 3 375.331 3.996 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1noc(C(F)F)n1 ZINC001299105455 1046012103 /nfs/dbraw/zinc/01/21/03/1046012103.db2.gz JLZJTYGFDZNKBN-JTQLQIEISA-N -1 3 375.331 3.996 20 0 GHADHM CCCN(Cc1ccccc1F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001300885550 1046225431 /nfs/dbraw/zinc/22/54/31/1046225431.db2.gz ZZGUVSHROQTFQC-UHFFFAOYSA-N -1 3 398.887 3.903 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2cnn3c2nc(C)cc3C(F)F)s1 ZINC001262681153 1046305913 /nfs/dbraw/zinc/30/59/13/1046305913.db2.gz CDMRRJVGOVBAPN-UHFFFAOYSA-N -1 3 380.424 3.983 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2C[C@H](C)C[C@H](C)C2)c(C)c1Cl ZINC001463121801 1070818613 /nfs/dbraw/zinc/81/86/13/1070818613.db2.gz AUKTYOJVPBMKQM-JZYVYDRUSA-N -1 3 379.931 3.600 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N(Cc1cccs1)C(C)C ZINC001263357779 1046742389 /nfs/dbraw/zinc/74/23/89/1046742389.db2.gz PTTUSXVKTPVSIU-UHFFFAOYSA-N -1 3 391.497 3.542 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccccc1-c1nnn[n-]1 ZINC001301884772 1046746304 /nfs/dbraw/zinc/74/63/04/1046746304.db2.gz JWLHRFRBWKLKIU-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccccc1-c1nn[n-]n1 ZINC001301884772 1046746314 /nfs/dbraw/zinc/74/63/14/1046746314.db2.gz JWLHRFRBWKLKIU-UHFFFAOYSA-N -1 3 378.219 3.581 20 0 GHADHM Cc1ncc([C@@H](C)NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)s1 ZINC001302255129 1046888482 /nfs/dbraw/zinc/88/84/82/1046888482.db2.gz HRJLCKSNCBGRBX-MRVPVSSYSA-N -1 3 392.278 3.547 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1csc(C2CC2)n1 ZINC001302291746 1046901994 /nfs/dbraw/zinc/90/19/94/1046901994.db2.gz OCPPOIOKWBMUBV-UHFFFAOYSA-N -1 3 397.460 3.565 20 0 GHADHM C[C@@H]1CC/C(=C\C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001302621332 1047010782 /nfs/dbraw/zinc/01/07/82/1047010782.db2.gz PJOQOISRPMAJRI-RFHWTAPTSA-N -1 3 380.410 3.932 20 0 GHADHM CC[C@H](CO)N(Cc1ccccc1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001302676266 1047038250 /nfs/dbraw/zinc/03/82/50/1047038250.db2.gz JTAXKMTWLWCEFL-OAHLLOKOSA-N -1 3 384.863 3.595 20 0 GHADHM Cc1c[nH]c(C2([N-]C(=O)C(F)(F)c3ccccc3Br)CCC2)n1 ZINC001302955582 1047211216 /nfs/dbraw/zinc/21/12/16/1047211216.db2.gz FIFPMCNPPRHIHW-UHFFFAOYSA-N -1 3 384.224 3.768 20 0 GHADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC001463178418 1070883415 /nfs/dbraw/zinc/88/34/15/1070883415.db2.gz RFZVHVXQSNVVFV-GFCCVEGCSA-N -1 3 393.436 3.635 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)Oc1cccc(F)c1 ZINC001463195535 1070903125 /nfs/dbraw/zinc/90/31/25/1070903125.db2.gz SAQMYEIYZOAPJW-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001304130586 1047595254 /nfs/dbraw/zinc/59/52/54/1047595254.db2.gz APKAVHZKCKLGED-ZETCQYMHSA-N -1 3 381.185 3.940 20 0 GHADHM C[C@H](NC(=O)c1ncsc1Nc1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304132406 1047596067 /nfs/dbraw/zinc/59/60/67/1047596067.db2.gz OSRJSNJJRKNEED-QMMMGPOBSA-N -1 3 382.371 3.515 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001304261729 1047630025 /nfs/dbraw/zinc/63/00/25/1047630025.db2.gz JEUTZQQHVAXRNQ-GDBMZVCRSA-N -1 3 376.497 3.578 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])cc1 ZINC001304497754 1047693534 /nfs/dbraw/zinc/69/35/34/1047693534.db2.gz IMUWNKQVLPYNQC-UHFFFAOYSA-N -1 3 399.443 3.742 20 0 GHADHM CC(C)(C)NC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cc([O-])cc(Cl)c1)C2 ZINC001279119174 1047725949 /nfs/dbraw/zinc/72/59/49/1047725949.db2.gz QCADJQLVJIZHBQ-OXQOHEQNSA-N -1 3 378.900 3.593 20 0 GHADHM O=C(Cc1ccsc1)N1CC2(C1)CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001279311608 1047763224 /nfs/dbraw/zinc/76/32/24/1047763224.db2.gz BOKDRSIRXGBDHG-UHFFFAOYSA-N -1 3 390.936 3.774 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001463264487 1070948788 /nfs/dbraw/zinc/94/87/88/1070948788.db2.gz ZQUDRQKNRBHUIN-AWEZNQCLSA-N -1 3 384.448 3.824 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001305198568 1047937076 /nfs/dbraw/zinc/93/70/76/1047937076.db2.gz SZJMGOJHKVESTB-OAHLLOKOSA-N -1 3 398.409 3.749 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@@H]1CCn1ccnn1 ZINC001305373206 1047997785 /nfs/dbraw/zinc/99/77/85/1047997785.db2.gz XYRGMRFHRIARKS-QGZVFWFLSA-N -1 3 392.459 3.861 20 0 GHADHM O=S(=O)([N-][C@H]1COc2c1cccc2Cl)c1csc(-c2ccccc2)n1 ZINC001463311006 1070979545 /nfs/dbraw/zinc/97/95/45/1070979545.db2.gz SRMPVPJGSHGVQN-AWEZNQCLSA-N -1 3 392.889 3.876 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2ccc(Cl)cc21)c1cnc(-c2ccccc2)s1 ZINC001463311238 1070980386 /nfs/dbraw/zinc/98/03/86/1070980386.db2.gz YUTZNBBOIMPZJD-CQSZACIVSA-N -1 3 392.889 3.876 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001306844889 1048925363 /nfs/dbraw/zinc/92/53/63/1048925363.db2.gz BPISYSDIFKYOMU-UHFFFAOYSA-N -1 3 396.874 3.856 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001306850039 1048927912 /nfs/dbraw/zinc/92/79/12/1048927912.db2.gz GHSKDQJTBIJFRI-HNNXBMFYSA-N -1 3 394.512 3.994 20 0 GHADHM COc1ccc(C=C(C(=O)N2CCCc3c(=O)[n-]cnc32)c2cccs2)cc1 ZINC001288088161 1048980105 /nfs/dbraw/zinc/98/01/05/1048980105.db2.gz LIESIWJLJUEKNK-ATVHPVEESA-N -1 3 393.468 3.772 20 0 GHADHM CN(Cc1cc(Br)cn1C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001307583389 1049421924 /nfs/dbraw/zinc/42/19/24/1049421924.db2.gz QHIAPYRWIVUHJB-UHFFFAOYSA-N -1 3 387.281 3.582 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)CCCC3CC3)[n-]c2c(Br)c1 ZINC001289667202 1049581602 /nfs/dbraw/zinc/58/16/02/1049581602.db2.gz CLPBLAGLBRJNHZ-UHFFFAOYSA-N -1 3 380.242 3.631 20 0 GHADHM Cc1cc(=O)[n-]c(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000754800420 1050109031 /nfs/dbraw/zinc/10/90/31/1050109031.db2.gz XDJXYZNIABDEEK-OAHLLOKOSA-N -1 3 395.290 3.791 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1cccc(OC(F)F)c1 ZINC001309057629 1050309722 /nfs/dbraw/zinc/30/97/22/1050309722.db2.gz JAFFITFVRUEGDG-QMMMGPOBSA-N -1 3 380.775 3.515 20 0 GHADHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001309092455 1050344268 /nfs/dbraw/zinc/34/42/68/1050344268.db2.gz HYBWTRFNZFZSTO-GFCCVEGCSA-N -1 3 389.304 3.751 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3c[nH]c4ccccc43)cs2)o1 ZINC001328052579 1050377180 /nfs/dbraw/zinc/37/71/80/1050377180.db2.gz PZTSOULLJVMWHM-UHFFFAOYSA-N -1 3 387.442 3.540 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC001309127469 1050385410 /nfs/dbraw/zinc/38/54/10/1050385410.db2.gz GPMLXCKCDCNRCG-OLZOCXBDSA-N -1 3 381.519 3.793 20 0 GHADHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001309144226 1050397605 /nfs/dbraw/zinc/39/76/05/1050397605.db2.gz BFQFGLVBUGSELB-AWEZNQCLSA-N -1 3 386.286 3.888 20 0 GHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001328167489 1050421589 /nfs/dbraw/zinc/42/15/89/1050421589.db2.gz WOQHLXJWSVBKSB-UHFFFAOYSA-N -1 3 390.480 3.785 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)cc1F ZINC001309241739 1050509198 /nfs/dbraw/zinc/50/91/98/1050509198.db2.gz INDBHGIJCDXKMX-LLVKDONJSA-N -1 3 375.824 3.672 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1oc2ccccc2c1Br)c1cccc(O)c1 ZINC001309395932 1050674361 /nfs/dbraw/zinc/67/43/61/1050674361.db2.gz GZRNVVDIWTXNFF-SNVBAGLBSA-N -1 3 396.262 3.940 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC001329022666 1050699389 /nfs/dbraw/zinc/69/93/89/1050699389.db2.gz FWXUTCNCMKSQHS-UHFFFAOYSA-N -1 3 387.324 3.593 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1Br ZINC001309431750 1050709534 /nfs/dbraw/zinc/70/95/34/1050709534.db2.gz CWLDIWLYVIZOHP-UHFFFAOYSA-N -1 3 394.278 3.994 20 0 GHADHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC001309427267 1050709980 /nfs/dbraw/zinc/70/99/80/1050709980.db2.gz JNOKLEVKXCOYFW-OAHLLOKOSA-N -1 3 382.309 3.640 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c(-c2ccccc2)s1 ZINC001309498613 1050765777 /nfs/dbraw/zinc/76/57/77/1050765777.db2.gz VMHBYYYVAYSOAF-CYBMUJFWSA-N -1 3 388.514 3.734 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H]1c1ccccc1)c1cccnc1C(F)(F)F ZINC001309529418 1050787009 /nfs/dbraw/zinc/78/70/09/1050787009.db2.gz SLROGMBUWSFZLE-CABCVRRESA-N -1 3 384.423 3.963 20 0 GHADHM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC001309614240 1050863528 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20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2cccc3cccc1c32 ZINC001309879434 1051019519 /nfs/dbraw/zinc/01/95/19/1051019519.db2.gz RZWBKNYITZWHBV-QGZVFWFLSA-N -1 3 399.443 3.731 20 0 GHADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCS1 ZINC001309918521 1051042894 /nfs/dbraw/zinc/04/28/94/1051042894.db2.gz BDWVJUDJIAUATO-PSASIEDQSA-N -1 3 384.748 3.665 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(C)C(C)(C)C2(C)C)c(F)cc1Br ZINC001309926858 1051050340 /nfs/dbraw/zinc/05/03/40/1051050340.db2.gz UVFCKXIBZBKXHA-UHFFFAOYSA-N -1 3 378.307 4.000 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c1 ZINC001331749904 1051367465 /nfs/dbraw/zinc/36/74/65/1051367465.db2.gz PGVJHZSOVUSKPL-UHFFFAOYSA-N -1 3 392.377 3.684 20 0 GHADHM CCn1cc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001331964259 1051426192 /nfs/dbraw/zinc/42/61/92/1051426192.db2.gz XNEYHFMIRIYRGW-ZBFHGGJFSA-N -1 3 381.398 3.655 20 0 GHADHM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001332580341 1051545341 /nfs/dbraw/zinc/54/53/41/1051545341.db2.gz SFGFRGPKYORWEZ-FPOVZHCZSA-N -1 3 398.478 3.678 20 0 GHADHM Cc1ccc(-c2n[nH]cc2CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)o1 ZINC001334025869 1051887107 /nfs/dbraw/zinc/88/71/07/1051887107.db2.gz PRKKMBZXUMZSAL-CVEARBPZSA-N -1 3 387.386 3.557 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001311304167 1052003874 /nfs/dbraw/zinc/00/38/74/1052003874.db2.gz BEPALRFUPLWGBB-UHFFFAOYSA-N -1 3 383.404 3.890 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001311304167 1052003881 /nfs/dbraw/zinc/00/38/81/1052003881.db2.gz BEPALRFUPLWGBB-UHFFFAOYSA-N -1 3 383.404 3.890 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)NC1CCCCCC1)C(F)(F)F ZINC001311412898 1052115331 /nfs/dbraw/zinc/11/53/31/1052115331.db2.gz WDMXGNDUQYECSX-HNNXBMFYSA-N -1 3 383.414 3.529 20 0 GHADHM CCC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001312489080 1052763685 /nfs/dbraw/zinc/76/36/85/1052763685.db2.gz QVQARXUWXXYIIU-HZPDHXFCSA-N -1 3 399.457 3.669 20 0 GHADHM C[C@@H](CCC1CC1)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001312563228 1052793028 /nfs/dbraw/zinc/79/30/28/1052793028.db2.gz DSMVQLYEGUCBOI-DZGCQCFKSA-N -1 3 397.441 3.947 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001342563887 1053240862 /nfs/dbraw/zinc/24/08/62/1053240862.db2.gz YOUAIIFIZHPNQN-QGZVFWFLSA-N -1 3 378.480 3.747 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC(C)C)cc(=O)[n-]1 ZINC001342936510 1053444816 /nfs/dbraw/zinc/44/48/16/1053444816.db2.gz LSLPBQSYXIUDLN-CYBMUJFWSA-N -1 3 384.459 3.742 20 0 GHADHM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001318379432 1054599265 /nfs/dbraw/zinc/59/92/65/1054599265.db2.gz AMGDFXDKUPHTMW-CYBMUJFWSA-N -1 3 392.477 3.695 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001318486729 1054671994 /nfs/dbraw/zinc/67/19/94/1054671994.db2.gz VUAUHSFNRCGTGJ-CHWSQXEVSA-N -1 3 389.293 3.943 20 0 GHADHM Cc1cc(C)n2ncc(C(=O)[N-]c3nnc(Cc4cccc(Cl)c4)s3)c2n1 ZINC001318753985 1054846166 /nfs/dbraw/zinc/84/61/66/1054846166.db2.gz XHXRVIOZMRUICI-UHFFFAOYSA-N -1 3 398.879 3.694 20 0 GHADHM NC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001319070976 1055020969 /nfs/dbraw/zinc/02/09/69/1055020969.db2.gz GFKPCMFZDGKNME-CQSZACIVSA-N -1 3 387.213 3.818 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc(C)c1F ZINC001319082460 1055027690 /nfs/dbraw/zinc/02/76/90/1055027690.db2.gz GXNWZUVONILPBD-UHFFFAOYSA-N -1 3 376.453 3.679 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3C=CCCC3)c2)c1 ZINC001319832405 1055496609 /nfs/dbraw/zinc/49/66/09/1055496609.db2.gz MUTXFKBQPFJBTC-OAHLLOKOSA-N -1 3 396.443 3.500 20 0 GHADHM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847896896 1056127375 /nfs/dbraw/zinc/12/73/75/1056127375.db2.gz PJRCVPGPFMUVFQ-LLVKDONJSA-N -1 3 380.231 3.620 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1OCCC ZINC001472090299 1056135581 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GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000848110014 1056657069 /nfs/dbraw/zinc/65/70/69/1056657069.db2.gz SLBIHDVDSCNRSD-UHFFFAOYSA-N -1 3 380.872 3.519 20 0 GHADHM CC(C)CC1(C)CCN(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001323412794 1056966406 /nfs/dbraw/zinc/96/64/06/1056966406.db2.gz DSQHVDGZVFXHTR-UHFFFAOYSA-N -1 3 399.532 3.555 20 0 GHADHM CCCCc1ccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001323741102 1057006984 /nfs/dbraw/zinc/00/69/84/1057006984.db2.gz FSQKAGATZKYASZ-UHFFFAOYSA-N -1 3 393.484 3.862 20 0 GHADHM CC[C@@H](C)c1nnc([C@@H](CCSC)[N-]S(=O)(=O)c2ccc(C)cc2)o1 ZINC001324083284 1057067138 /nfs/dbraw/zinc/06/71/38/1057067138.db2.gz SWGWFXWIOORJEA-UKRRQHHQSA-N -1 3 383.539 3.664 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)s1 ZINC001324438707 1057135192 /nfs/dbraw/zinc/13/51/92/1057135192.db2.gz SHJWJLKRJFKNQQ-ZETCQYMHSA-N -1 3 399.847 3.601 20 0 GHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2coc(-c3c(F)cccc3F)n2)c1 ZINC001355643333 1057239172 /nfs/dbraw/zinc/23/91/72/1057239172.db2.gz UMLVHDGPSDOJLL-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001326416082 1057479077 /nfs/dbraw/zinc/47/90/77/1057479077.db2.gz ANKAGCCJBDYHDL-LJQANCHMSA-N -1 3 379.435 3.512 20 0 GHADHM C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c([N-]C(=O)c3cnsn3)sc2[C@H](C)O1 ZINC001327088116 1057595784 /nfs/dbraw/zinc/59/57/84/1057595784.db2.gz NTRDCCFQCVADBB-BDAKNGLRSA-N -1 3 395.506 3.829 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1OC(F)F ZINC001440793662 1058621338 /nfs/dbraw/zinc/62/13/38/1058621338.db2.gz DTCYVPVVBHBSIP-SECBINFHSA-N -1 3 394.324 3.899 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3c2CCCC3)c(Cl)c1 ZINC001440828229 1058633374 /nfs/dbraw/zinc/63/33/74/1058633374.db2.gz NXGAAQDBOUCTDP-UHFFFAOYSA-N -1 3 378.881 3.843 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C/Cc2ccccc2)cc1OC ZINC001441885507 1058879950 /nfs/dbraw/zinc/87/99/50/1058879950.db2.gz AMQWLPBQYFWEJY-BQYQJAHWSA-N -1 3 388.489 3.584 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCOc2cccc(Br)c2)c1 ZINC001442076286 1058912943 /nfs/dbraw/zinc/91/29/43/1058912943.db2.gz MCLOQZGFHVDMLR-UHFFFAOYSA-N -1 3 382.279 3.685 20 0 GHADHM COc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c([O-])c1 ZINC001443876364 1059221547 /nfs/dbraw/zinc/22/15/47/1059221547.db2.gz CWPYYHNICYEANV-OAHLLOKOSA-N -1 3 392.858 3.588 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC001443905920 1059229504 /nfs/dbraw/zinc/22/95/04/1059229504.db2.gz CEFJQSVKBBCXLJ-QGZVFWFLSA-N -1 3 394.487 3.664 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001444249477 1059289265 /nfs/dbraw/zinc/28/92/65/1059289265.db2.gz SDXUZPNYTYMYTF-NVXWUHKLSA-N -1 3 376.497 3.768 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC3(c4cccc(Cl)c4)CC3)c(=O)c2c(OC)c1 ZINC001444334536 1059310278 /nfs/dbraw/zinc/31/02/78/1059310278.db2.gz ZFPLCZLAMUJTRD-UHFFFAOYSA-N -1 3 398.846 3.618 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[O-] ZINC001445011347 1059437918 /nfs/dbraw/zinc/43/79/18/1059437918.db2.gz YFKOGYALPDVRKM-UHFFFAOYSA-N -1 3 387.848 3.943 20 0 GHADHM O=c1cc(CSc2nnc(NCc3cccs3)s2)nc(C2CC2)[n-]1 ZINC001339852508 1059518075 /nfs/dbraw/zinc/51/80/75/1059518075.db2.gz BCIKQXJZLXDVQR-UHFFFAOYSA-N -1 3 377.520 3.877 20 0 GHADHM Cc1nc(N)nc(C)c1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001446463054 1059778636 /nfs/dbraw/zinc/77/86/36/1059778636.db2.gz XDCZAOMPZRHUKM-UHFFFAOYSA-N -1 3 391.456 3.910 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(CC)nc3ccc(Cl)cn32)c([O-])c1 ZINC001447057570 1059923043 /nfs/dbraw/zinc/92/30/43/1059923043.db2.gz DKMXETBWXTZEOW-UHFFFAOYSA-N -1 3 387.823 3.685 20 0 GHADHM CC(C)c1nnc2ccc(NC(=O)c3cc([O-])cc(Br)c3)cn21 ZINC001447964058 1060073875 /nfs/dbraw/zinc/07/38/75/1060073875.db2.gz FPBYPASXBYQLKH-UHFFFAOYSA-N -1 3 375.226 3.573 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2C1 ZINC001449682845 1060444579 /nfs/dbraw/zinc/44/45/79/1060444579.db2.gz BXFRSPTYBWXETH-UHFFFAOYSA-N -1 3 398.415 3.624 20 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1060993987 /nfs/dbraw/zinc/99/39/87/1060993987.db2.gz HPERNITVVIJBAT-MRXNPFEDSA-N -1 3 397.862 3.977 20 0 GHADHM O=C([C@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452727904 1060995234 /nfs/dbraw/zinc/99/52/34/1060995234.db2.gz OWKWGCPDBHZTBF-OXQOHEQNSA-N -1 3 381.863 3.917 20 0 GHADHM Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)oc1C ZINC001453658311 1061175985 /nfs/dbraw/zinc/17/59/85/1061175985.db2.gz NKCLGZJPACVTTI-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM Cc1ccc2sc(C[N-]C(=O)C(F)(F)Oc3ccc(C=O)cc3)nc2c1 ZINC001454388211 1061748479 /nfs/dbraw/zinc/74/84/79/1061748479.db2.gz NLOXOTMBOPLIAG-UHFFFAOYSA-N -1 3 376.384 3.705 20 0 GHADHM CC1(C)CCCC[C@H]1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454415300 1061773613 /nfs/dbraw/zinc/77/36/13/1061773613.db2.gz XMNXPGYDOOHROL-LBPRGKRZSA-N -1 3 378.274 3.784 20 0 GHADHM CC1(C)CCCC[C@H]1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454415300 1061773627 /nfs/dbraw/zinc/77/36/27/1061773627.db2.gz XMNXPGYDOOHROL-LBPRGKRZSA-N -1 3 378.274 3.784 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2nc3c(ccc(C)c3C)s2)c([O-])c1 ZINC001454735769 1061929161 /nfs/dbraw/zinc/92/91/61/1061929161.db2.gz TUTOFINXRGFSIU-UHFFFAOYSA-N -1 3 383.473 3.686 20 0 GHADHM CC(C)c1ccc(C2(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)CCCC2)cc1 ZINC001455100256 1062004502 /nfs/dbraw/zinc/00/45/02/1062004502.db2.gz REMDPTKGTPRSAW-UHFFFAOYSA-N -1 3 396.453 3.759 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)C2(Cc3ccccc3)CCCC2)c([O-])c1 ZINC001455486507 1062179422 /nfs/dbraw/zinc/17/94/22/1062179422.db2.gz SQXRZJSHTAGGKB-UHFFFAOYSA-N -1 3 394.515 3.834 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccc(-c4ccccc4)s3)C2)n1 ZINC001347670403 1062565072 /nfs/dbraw/zinc/56/50/72/1062565072.db2.gz DGKQIPPOHVVFER-MRXNPFEDSA-N -1 3 394.500 3.618 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)[n-]n1 ZINC001456337683 1062622653 /nfs/dbraw/zinc/62/26/53/1062622653.db2.gz UHJLKNRLMSJXQV-UHFFFAOYSA-N -1 3 392.387 3.629 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[n-]1 ZINC001456337683 1062622661 /nfs/dbraw/zinc/62/26/61/1062622661.db2.gz UHJLKNRLMSJXQV-UHFFFAOYSA-N -1 3 392.387 3.629 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2[nH]c(CNC(=O)OC(C)(C)C)nc2c1 ZINC001456376952 1062647140 /nfs/dbraw/zinc/64/71/40/1062647140.db2.gz UUCUAWVAOKNKGU-UHFFFAOYSA-N -1 3 396.447 3.854 20 0 GHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC(C)(C)C ZINC001435483730 1062665798 /nfs/dbraw/zinc/66/57/98/1062665798.db2.gz YUUPTGLROMRCQF-GFCCVEGCSA-N -1 3 392.240 3.777 20 0 GHADHM O=C(NC[C@H]1CCC2(CCOCC2)O1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001456566459 1062754804 /nfs/dbraw/zinc/75/48/04/1062754804.db2.gz ZKZAOAQOBKIHDN-HXUWFJFHSA-N -1 3 395.499 3.635 20 0 GHADHM COC(=O)c1cc(NC(=O)CCc2c[nH]c3c2cccc3C)c([O-])c(OC)c1 ZINC001456750076 1062840378 /nfs/dbraw/zinc/84/03/78/1062840378.db2.gz WJUFLORQRZRNGB-UHFFFAOYSA-N -1 3 382.416 3.548 20 0 GHADHM COC(=O)c1cc(NC(=O)CCCOc2ccc(C)cc2C)c([O-])c(OC)c1 ZINC001456750203 1062841494 /nfs/dbraw/zinc/84/14/94/1062841494.db2.gz XQMJPNNPJZHVKD-UHFFFAOYSA-N -1 3 387.432 3.602 20 0 GHADHM Cc1ccccc1[C@@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001348178550 1062947191 /nfs/dbraw/zinc/94/71/91/1062947191.db2.gz KCEUXTISTVZMIH-IBGZPJMESA-N -1 3 390.491 3.809 20 0 GHADHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1c(F)ccc(Br)c1F ZINC001436088846 1063173560 /nfs/dbraw/zinc/17/35/60/1063173560.db2.gz LWWSKTHJEXGQCF-UHFFFAOYSA-N -1 3 397.154 3.904 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cnc(-c2ccccc2)nc1 ZINC001436880822 1063691035 /nfs/dbraw/zinc/69/10/35/1063691035.db2.gz KZWXVAINXVCDLJ-UHFFFAOYSA-N -1 3 391.431 3.977 20 0 GHADHM CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001349766480 1063906509 /nfs/dbraw/zinc/90/65/09/1063906509.db2.gz LUPNOKVVQZCSPW-GFCCVEGCSA-N -1 3 387.505 3.594 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001349909244 1063940218 /nfs/dbraw/zinc/94/02/18/1063940218.db2.gz SZPIXFDKRMNPCS-OFNKIYASSA-N -1 3 386.536 3.829 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC001437937532 1063952858 /nfs/dbraw/zinc/95/28/58/1063952858.db2.gz ZKSGFDSKVBPCCA-YVMONPNESA-N -1 3 375.381 3.710 20 0 GHADHM CCCCc1nc(NC(=O)Cc2nsc3ccccc23)c(C(=O)OCC)[n-]1 ZINC001458950516 1063966993 /nfs/dbraw/zinc/96/69/93/1063966993.db2.gz ATONCULXFOISND-UHFFFAOYSA-N -1 3 386.477 3.720 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3F)C2)sc1Cl ZINC001463441610 1064352547 /nfs/dbraw/zinc/35/25/47/1064352547.db2.gz BMHHXVABPXYWMF-GFCCVEGCSA-N -1 3 388.917 3.796 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001463527714 1064437418 /nfs/dbraw/zinc/43/74/18/1064437418.db2.gz LPHNXQNOFPBVQX-UHFFFAOYSA-N -1 3 394.802 3.665 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)CC2)c1 ZINC001463561919 1064462899 /nfs/dbraw/zinc/46/28/99/1064462899.db2.gz NHBDCXFZWXDXPX-GOEBONIOSA-N -1 3 385.501 3.886 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C)c3ccccc23)c(F)c1 ZINC001463877128 1064689174 /nfs/dbraw/zinc/68/91/74/1064689174.db2.gz CNPZZLFJOQTEAO-UHFFFAOYSA-N -1 3 387.432 3.552 20 0 GHADHM Cc1ccccc1CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C1CC1 ZINC001464055092 1064791498 /nfs/dbraw/zinc/79/14/98/1064791498.db2.gz ACBWUPULXOXGDN-UHFFFAOYSA-N -1 3 392.908 3.825 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CC/C=C\c2ccc(Br)cc2)s1 ZINC001464151731 1064864546 /nfs/dbraw/zinc/86/45/46/1064864546.db2.gz QCATVUSFAQVBTF-RQOWECAXSA-N -1 3 387.324 3.596 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3Cl)c(F)cc1F ZINC001464186191 1064895666 /nfs/dbraw/zinc/89/56/66/1064895666.db2.gz TYJSJBAFXWVYNO-UHFFFAOYSA-N -1 3 384.835 3.929 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001464274552 1064937242 /nfs/dbraw/zinc/93/72/42/1064937242.db2.gz QZJCLDMDSRAFGU-KDOFPFPSSA-N -1 3 396.915 3.668 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)C(C)(F)F ZINC001464275696 1064938412 /nfs/dbraw/zinc/93/84/12/1064938412.db2.gz RWCJASIBVZLNKT-UHFFFAOYSA-N -1 3 391.461 3.648 20 0 GHADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nn(C)cc2C(F)F)c1Cl ZINC001464304657 1064948808 /nfs/dbraw/zinc/94/88/08/1064948808.db2.gz ZNUVKIZAXHRRIH-UHFFFAOYSA-N -1 3 398.262 3.760 20 0 GHADHM CCNC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001464536382 1065068603 /nfs/dbraw/zinc/06/86/03/1065068603.db2.gz KZYQVFSXSIVBNJ-UHFFFAOYSA-N -1 3 378.226 3.548 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c(F)c1 ZINC001464565135 1065084686 /nfs/dbraw/zinc/08/46/86/1065084686.db2.gz LLFGCDBPLCCNTR-UHFFFAOYSA-N -1 3 376.334 3.985 20 0 GHADHM C[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)COCc1ccccc1 ZINC001464603554 1065106107 /nfs/dbraw/zinc/10/61/07/1065106107.db2.gz HKWOBPHUKCJHDN-CQSZACIVSA-N -1 3 384.863 3.764 20 0 GHADHM O=C(NCCN1C(=O)Cc2ccccc21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464658396 1065142816 /nfs/dbraw/zinc/14/28/16/1065142816.db2.gz VRNWWRLXFPYWNW-UHFFFAOYSA-N -1 3 388.423 3.504 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCCCO2)c(Br)c1 ZINC001464702146 1065164950 /nfs/dbraw/zinc/16/49/50/1065164950.db2.gz COLSFDNUTNCFHU-AWEZNQCLSA-N -1 3 396.734 3.648 20 0 GHADHM Cc1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c([O-])c1 ZINC001464771933 1065202852 /nfs/dbraw/zinc/20/28/52/1065202852.db2.gz HFSVVDIKLDPIRB-UHFFFAOYSA-N -1 3 375.424 3.988 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ccccc2OC)c1 ZINC001464848610 1065242205 /nfs/dbraw/zinc/24/22/05/1065242205.db2.gz ABMZAPINLDJRBS-GOSISDBHSA-N -1 3 380.444 3.893 20 0 GHADHM CC1(C)CCC(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001465396797 1065586371 /nfs/dbraw/zinc/58/63/71/1065586371.db2.gz QIQQYUVHJQXPSS-UHFFFAOYSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)[C@H](c2ccccc2)CO1 ZINC001465448764 1065624197 /nfs/dbraw/zinc/62/41/97/1065624197.db2.gz ZAXIADCMXBEXCE-ACJLOTCBSA-N -1 3 382.847 3.784 20 0 GHADHM CN1CCN(C(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c2ccc(F)cc21 ZINC001465559682 1065714923 /nfs/dbraw/zinc/71/49/23/1065714923.db2.gz JNIMHVBRZVBTBW-UHFFFAOYSA-N -1 3 393.418 3.607 20 0 GHADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001466138507 1065994299 /nfs/dbraw/zinc/99/42/99/1065994299.db2.gz YZBIOTHFUZMLRP-QGZVFWFLSA-N -1 3 394.512 3.814 20 0 GHADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001466263079 1066062340 /nfs/dbraw/zinc/06/23/40/1066062340.db2.gz RBZFDQRZZJLXFG-SECBINFHSA-N -1 3 380.470 3.628 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCCCC[C@@H]2c2ncon2)s1 ZINC001466330870 1066095354 /nfs/dbraw/zinc/09/53/54/1066095354.db2.gz SUGYXLIEEARBNL-LLVKDONJSA-N -1 3 393.469 3.631 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)NCc1ccccc1 ZINC001353881719 1066336034 /nfs/dbraw/zinc/33/60/34/1066336034.db2.gz QVYFMNGKZCYDRB-UHFFFAOYSA-N -1 3 387.213 3.518 20 0 GHADHM CCO[C@H]1C[C@@](CO)([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)C1(C)C ZINC001466932561 1066398578 /nfs/dbraw/zinc/39/85/78/1066398578.db2.gz XYPFSXYEJPMYRQ-LRDDRELGSA-N -1 3 396.261 3.768 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001466936158 1066401127 /nfs/dbraw/zinc/40/11/27/1066401127.db2.gz ZKFQIBZEYOXHPP-UHFFFAOYSA-N -1 3 388.801 3.774 20 0 GHADHM CCOc1ccc(C[C@@H](C)C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC001357296878 1067036760 /nfs/dbraw/zinc/03/67/60/1067036760.db2.gz YNRXDPLPMDTQGT-CYBMUJFWSA-N -1 3 381.432 3.566 20 0 GHADHM CCOC(=O)C[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001467371169 1067256563 /nfs/dbraw/zinc/25/65/63/1067256563.db2.gz ZKRQIRSLIIEAEH-LJQANCHMSA-N -1 3 381.472 3.735 20 0 GHADHM O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001467593559 1067376604 /nfs/dbraw/zinc/37/66/04/1067376604.db2.gz BKCXAWWJNQKLHO-UHFFFAOYSA-N -1 3 386.407 3.956 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001467702976 1067428927 /nfs/dbraw/zinc/42/89/27/1067428927.db2.gz TUAPIUVTRUSTQM-CHWSQXEVSA-N -1 3 380.510 3.632 20 0 GHADHM CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001468833217 1067904510 /nfs/dbraw/zinc/90/45/10/1067904510.db2.gz IXLXVZRSSPCBBX-UHFFFAOYSA-N -1 3 395.478 3.760 20 0 GHADHM O=C(NCC[C@H]1CCCC1(F)F)NCc1ccc([O-])c(Br)c1 ZINC001469400664 1068144375 /nfs/dbraw/zinc/14/43/75/1068144375.db2.gz XQBQEWKARLLGBY-LLVKDONJSA-N -1 3 377.229 3.779 20 0 GHADHM CC(C)CCc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)n[nH]1 ZINC001469467454 1068177000 /nfs/dbraw/zinc/17/70/00/1068177000.db2.gz FWTAJWKNGVLGGK-UHFFFAOYSA-N -1 3 380.448 3.936 20 0 GHADHM O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469713953 1068332403 /nfs/dbraw/zinc/33/24/03/1068332403.db2.gz FRCFEVSJXXYNRH-ZDUSSCGKSA-N -1 3 386.249 3.661 20 0 GHADHM CC(C)(C)OC(=O)CC1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCC1 ZINC001469773846 1068379240 /nfs/dbraw/zinc/37/92/40/1068379240.db2.gz PBYKAONPDFHTTQ-UHFFFAOYSA-N -1 3 390.867 3.566 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1[O-] ZINC001469890641 1068450546 /nfs/dbraw/zinc/45/05/46/1068450546.db2.gz VHYFSACFAQDRLD-UHFFFAOYSA-N -1 3 378.453 3.917 20 0 GHADHM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001470140674 1068593404 /nfs/dbraw/zinc/59/34/04/1068593404.db2.gz HLDUCCVAHNVEEM-UHFFFAOYSA-N -1 3 391.383 3.686 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3nn(C)c(C)c3Cl)n2)cc1 ZINC001360956278 1068712366 /nfs/dbraw/zinc/71/23/66/1068712366.db2.gz JZLLUEBADBOFIK-UHFFFAOYSA-N -1 3 379.898 3.875 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001478221069 1078770875 /nfs/dbraw/zinc/77/08/75/1078770875.db2.gz OMSDLQCNCKPLRG-SWLSCSKDSA-N -1 3 397.219 3.788 20 0 GHADHM CC1(C)C[C@@H](CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)C(C)(C)O1 ZINC001460266062 1068895385 /nfs/dbraw/zinc/89/53/85/1068895385.db2.gz PTJQMRJKILXGKT-GJZGRUSLSA-N -1 3 384.442 3.690 20 0 GHADHM Cc1ccc(Oc2ccccc2NC(=O)CN2Cc3nc(C)[n-]c(=O)c3C2)cc1 ZINC001460558414 1068995263 /nfs/dbraw/zinc/99/52/63/1068995263.db2.gz HSLPGUAQTVBWJA-UHFFFAOYSA-N -1 3 390.443 3.546 20 0 GHADHM NC(=O)CC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCCC1 ZINC001470475839 1072577608 /nfs/dbraw/zinc/57/76/08/1072577608.db2.gz XXXBVUGQGFBMBM-UHFFFAOYSA-N -1 3 382.460 3.740 20 0 GHADHM C[C@H](NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC001478854088 1079004436 /nfs/dbraw/zinc/00/44/36/1079004436.db2.gz HMYKIXIUKUJMBT-XJKSGUPXSA-N -1 3 397.441 3.775 20 0 GHADHM CCOc1nnc(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)[n-]1 ZINC001471298810 1073004467 /nfs/dbraw/zinc/00/44/67/1073004467.db2.gz XLBZDQXEWSKNFX-UHFFFAOYSA-N -1 3 382.848 3.543 20 0 GHADHM CCOc1nc(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)n[n-]1 ZINC001471298810 1073004481 /nfs/dbraw/zinc/00/44/81/1073004481.db2.gz XLBZDQXEWSKNFX-UHFFFAOYSA-N -1 3 382.848 3.543 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)n1 ZINC001471298810 1073004491 /nfs/dbraw/zinc/00/44/91/1073004491.db2.gz XLBZDQXEWSKNFX-UHFFFAOYSA-N -1 3 382.848 3.543 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471810644 1073224351 /nfs/dbraw/zinc/22/43/51/1073224351.db2.gz XNTHSOKONVDQLE-UHFFFAOYSA-N -1 3 398.315 3.916 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2ccc(Br)c(F)c2C1 ZINC001471924322 1073263085 /nfs/dbraw/zinc/26/30/85/1073263085.db2.gz WGUFEGSSDDIJTN-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM COc1ccc2c(n1)N(C)CCN2C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471939636 1073272553 /nfs/dbraw/zinc/27/25/53/1073272553.db2.gz KZSDIZZRPJLVJN-UHFFFAOYSA-N -1 3 391.427 3.685 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2NCc2ccccc2)[n-]n1 ZINC001472091452 1073331398 /nfs/dbraw/zinc/33/13/98/1073331398.db2.gz XIMZYECKBRMLKX-UHFFFAOYSA-N -1 3 378.432 3.839 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2NCc2ccccc2)n[n-]1 ZINC001472091452 1073331406 /nfs/dbraw/zinc/33/14/06/1073331406.db2.gz XIMZYECKBRMLKX-UHFFFAOYSA-N -1 3 378.432 3.839 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001472153243 1073348808 /nfs/dbraw/zinc/34/88/08/1073348808.db2.gz JWRWSVAAQDCBIA-AEFFLSMTSA-N -1 3 383.444 3.595 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c([O-])c(OC)c1 ZINC001472228178 1073375865 /nfs/dbraw/zinc/37/58/65/1073375865.db2.gz HYFGVSFUKAXWON-LLVKDONJSA-N -1 3 393.823 3.555 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241636 1073380474 /nfs/dbraw/zinc/38/04/74/1073380474.db2.gz VUTLYPAYXRKHAN-INIZCTEOSA-N -1 3 393.443 3.810 20 0 GHADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241636 1073380481 /nfs/dbraw/zinc/38/04/81/1073380481.db2.gz VUTLYPAYXRKHAN-INIZCTEOSA-N -1 3 393.443 3.810 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472240700 1073380904 /nfs/dbraw/zinc/38/09/04/1073380904.db2.gz GWFBPZOTHHALHV-AWEZNQCLSA-N -1 3 381.407 3.723 20 0 GHADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472240700 1073380912 /nfs/dbraw/zinc/38/09/12/1073380912.db2.gz GWFBPZOTHHALHV-AWEZNQCLSA-N -1 3 381.407 3.723 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)COc3ccc(F)cc3F)n[n-]2)cc1 ZINC001472355346 1073441795 /nfs/dbraw/zinc/44/17/95/1073441795.db2.gz HLCFKORMOLWSBV-UHFFFAOYSA-N -1 3 390.415 3.701 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c1 ZINC001472458038 1073497457 /nfs/dbraw/zinc/49/74/57/1073497457.db2.gz FWYMAEYRXSBOKJ-UHFFFAOYSA-N -1 3 379.416 3.677 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc4c(Br)cccc4cn3)n[n-]2)o1 ZINC001472526745 1073531270 /nfs/dbraw/zinc/53/12/70/1073531270.db2.gz RHXLEFQUICJZNL-UHFFFAOYSA-N -1 3 398.220 3.936 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC001472540842 1073540993 /nfs/dbraw/zinc/54/09/93/1073540993.db2.gz RFSFMASTTHZOBD-QGZVFWFLSA-N -1 3 392.496 3.604 20 0 GHADHM CCc1cc2c(CNC3(C(=O)OC(C)(C)C)CCCC3)cc(=O)oc2cc1[O-] ZINC001473239327 1073882476 /nfs/dbraw/zinc/88/24/76/1073882476.db2.gz CFTFGAABWKHSKS-UHFFFAOYSA-N -1 3 387.476 3.805 20 0 GHADHM CCOC(=O)[C@@H](CCCC(C)C)NCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001473782019 1074140210 /nfs/dbraw/zinc/14/02/10/1074140210.db2.gz GJSLJDXSEGSWTB-GOSISDBHSA-N -1 3 389.492 3.909 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC001474824086 1074580355 /nfs/dbraw/zinc/58/03/55/1074580355.db2.gz HQBKGZAEDPLAKP-MRXNPFEDSA-N -1 3 399.343 3.936 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC001474980084 1074665229 /nfs/dbraw/zinc/66/52/29/1074665229.db2.gz BBNROPSDWYXYIO-CHWSQXEVSA-N -1 3 386.336 3.729 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c(F)cc1F ZINC001474996365 1074675230 /nfs/dbraw/zinc/67/52/30/1074675230.db2.gz SHTIUUHJNWQQDC-CQSZACIVSA-N -1 3 396.242 3.592 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1C1CCCCC1)c1c(F)cccc1OC(F)(F)F ZINC001475031490 1074696403 /nfs/dbraw/zinc/69/64/03/1074696403.db2.gz FIBNAXISEHXPBK-DGCLKSJQSA-N -1 3 381.391 3.971 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)c2ccc(CC)cc2)c1 ZINC001475055032 1074713155 /nfs/dbraw/zinc/71/31/55/1074713155.db2.gz SDHCZLCANMJGCS-UHFFFAOYSA-N -1 3 393.480 3.778 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(Cl)s1 ZINC001475154671 1074760520 /nfs/dbraw/zinc/76/05/20/1074760520.db2.gz APHIFSFOACEWLS-VIFPVBQESA-N -1 3 395.308 3.751 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]C[C@]2(C)CCCc3ccccc32)cc1F ZINC001475160817 1074763450 /nfs/dbraw/zinc/76/34/50/1074763450.db2.gz RPMNFPFKMFPASD-IBGZPJMESA-N -1 3 381.444 3.546 20 0 GHADHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001475163108 1074764196 /nfs/dbraw/zinc/76/41/96/1074764196.db2.gz YRSTZCOHAKQQCY-GXFFZTMASA-N -1 3 388.942 3.822 20 0 GHADHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC(C)(C)C(C)C ZINC001475177302 1074770908 /nfs/dbraw/zinc/77/09/08/1074770908.db2.gz ZMGCVBBUCPNHSX-HKUYNNGSSA-N -1 3 395.565 3.640 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)c(Cl)cc1F)c1cnc(Cl)c(Cl)c1 ZINC001475260089 1074809246 /nfs/dbraw/zinc/80/92/46/1074809246.db2.gz AJLUFDSXOMLYIJ-UHFFFAOYSA-N -1 3 387.622 3.799 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1cnc(-c2ccccc2)s1 ZINC001475260112 1074809535 /nfs/dbraw/zinc/80/95/35/1074809535.db2.gz BCUFLTOTRHLIES-UHFFFAOYSA-N -1 3 376.478 3.860 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(Cl)c2nonc21 ZINC001475267573 1074813312 /nfs/dbraw/zinc/81/33/12/1074813312.db2.gz AHIQWNNGKNOSEA-WCQYABFASA-N -1 3 395.843 3.630 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)c1cnc(Cl)c(Cl)c1 ZINC001475436051 1074874420 /nfs/dbraw/zinc/87/44/20/1074874420.db2.gz PCGRRYDZASZTSJ-CQSZACIVSA-N -1 3 398.271 3.639 20 0 GHADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ncco1)c1cccc(Cl)c1F ZINC001475436111 1074874597 /nfs/dbraw/zinc/87/45/97/1074874597.db2.gz QAWQJQQOGVQYOB-CQSZACIVSA-N -1 3 380.828 3.729 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CCCCCC1 ZINC001475441881 1074876905 /nfs/dbraw/zinc/87/69/05/1074876905.db2.gz PZKZFIQFZMUZRI-HXUWFJFHSA-N -1 3 391.533 3.795 20 0 GHADHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC001475455790 1074881166 /nfs/dbraw/zinc/88/11/66/1074881166.db2.gz DJPGIXFZJHTLQI-UHFFFAOYSA-N -1 3 394.320 3.926 20 0 GHADHM CCC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)OCC ZINC001475534080 1074907419 /nfs/dbraw/zinc/90/74/19/1074907419.db2.gz YHUUYWKLXORFRJ-NSHDSACASA-N -1 3 398.750 3.894 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(=O)CC1CCCCC1 ZINC001475623323 1074929558 /nfs/dbraw/zinc/92/95/58/1074929558.db2.gz ZETQLNLFXUUGAU-UHFFFAOYSA-N -1 3 394.356 3.637 20 0 GHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)cc1 ZINC001475754243 1075014523 /nfs/dbraw/zinc/01/45/23/1075014523.db2.gz SYZPJJUONQMCGC-UHFFFAOYSA-N -1 3 396.921 3.869 20 0 GHADHM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC001475751620 1075014675 /nfs/dbraw/zinc/01/46/75/1075014675.db2.gz GGUFSANWJMFJOA-ABAIWWIYSA-N -1 3 393.452 3.764 20 0 GHADHM O=C([O-])[C@@H](Cc1cncs1)NCc1nc(-c2ccccc2Cl)cs1 ZINC001601664172 1126226574 /nfs/dbraw/zinc/22/65/74/1126226574.db2.gz ZVIIWXQIXREGAO-CYBMUJFWSA-N -1 3 379.894 3.706 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c([O-])c1 ZINC000008378709 212103539 /nfs/dbraw/zinc/10/35/39/212103539.db2.gz UVGFSRXLTNMVLW-HNNXBMFYSA-N -1 3 388.489 3.516 20 0 GHADHM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)o1 ZINC000095967337 222365860 /nfs/dbraw/zinc/36/58/60/222365860.db2.gz UUKSOFWXLQMRQD-UHFFFAOYSA-N -1 3 390.509 3.748 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737449366 598830024 /nfs/dbraw/zinc/83/00/24/598830024.db2.gz WMSZPXIULPPWAM-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737449366 598830025 /nfs/dbraw/zinc/83/00/25/598830025.db2.gz WMSZPXIULPPWAM-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)s1 ZINC000736679491 598831086 /nfs/dbraw/zinc/83/10/86/598831086.db2.gz VGJUMVPGZQKBKU-UHFFFAOYSA-N -1 3 386.868 3.807 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)s1 ZINC000736679491 598831087 /nfs/dbraw/zinc/83/10/87/598831087.db2.gz VGJUMVPGZQKBKU-UHFFFAOYSA-N -1 3 386.868 3.807 20 0 GHADHM Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000737313272 598836203 /nfs/dbraw/zinc/83/62/03/598836203.db2.gz SOPHSLXTJSOTSG-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc(Cl)cn1 ZINC000738113250 598837053 /nfs/dbraw/zinc/83/70/53/598837053.db2.gz XQBCKCMLXVTRLP-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM CC(C)(C)CCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735602388 598848015 /nfs/dbraw/zinc/84/80/15/598848015.db2.gz ONBKIERMLAVYCL-UHFFFAOYSA-N -1 3 383.452 3.595 20 0 GHADHM CC(C)(C)CCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735602388 598848017 /nfs/dbraw/zinc/84/80/17/598848017.db2.gz ONBKIERMLAVYCL-UHFFFAOYSA-N -1 3 383.452 3.595 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115821 598851848 /nfs/dbraw/zinc/85/18/48/598851848.db2.gz JYNCHFXKBQSSLM-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115821 598851851 /nfs/dbraw/zinc/85/18/51/598851851.db2.gz JYNCHFXKBQSSLM-ZDUSSCGKSA-N -1 3 378.436 3.538 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)s2)cc1 ZINC000737055316 598871730 /nfs/dbraw/zinc/87/17/30/598871730.db2.gz DNWSHTMLJYXONX-LLVKDONJSA-N -1 3 393.476 3.875 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)s2)cc1 ZINC000737055316 598871732 /nfs/dbraw/zinc/87/17/32/598871732.db2.gz DNWSHTMLJYXONX-LLVKDONJSA-N -1 3 393.476 3.875 20 0 GHADHM CCCCCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736450996 598877690 /nfs/dbraw/zinc/87/76/90/598877690.db2.gz DZBQXODELMLJFD-LJQANCHMSA-N -1 3 379.464 3.926 20 0 GHADHM CCCCCc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736450996 598877692 /nfs/dbraw/zinc/87/76/92/598877692.db2.gz DZBQXODELMLJFD-LJQANCHMSA-N -1 3 379.464 3.926 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1ccccc1F ZINC000736037864 598882507 /nfs/dbraw/zinc/88/25/07/598882507.db2.gz PMBKBGWMEGCUQZ-KBPBESRZSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1ccccc1F ZINC000736037864 598882508 /nfs/dbraw/zinc/88/25/08/598882508.db2.gz PMBKBGWMEGCUQZ-KBPBESRZSA-N -1 3 384.411 3.510 20 0 GHADHM CCSc1ccc([C@H](C)N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736666154 598883927 /nfs/dbraw/zinc/88/39/27/598883927.db2.gz LRDUPDLCOUYNQT-UGSOOPFHSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@H](C)N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736666154 598883929 /nfs/dbraw/zinc/88/39/29/598883929.db2.gz LRDUPDLCOUYNQT-UGSOOPFHSA-N -1 3 397.504 3.544 20 0 GHADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000736040527 598887850 /nfs/dbraw/zinc/88/78/50/598887850.db2.gz PESCNPSMTLAPCV-LLVKDONJSA-N -1 3 397.822 3.626 20 0 GHADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000736040527 598887852 /nfs/dbraw/zinc/88/78/52/598887852.db2.gz PESCNPSMTLAPCV-LLVKDONJSA-N -1 3 397.822 3.626 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC[C@@H]1CC=CCC1 ZINC000738113190 598891635 /nfs/dbraw/zinc/89/16/35/598891635.db2.gz WGZZQTXELRZSGE-CQSZACIVSA-N -1 3 394.504 3.751 20 0 GHADHM CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000735652235 598892791 /nfs/dbraw/zinc/89/27/91/598892791.db2.gz DVFNITLGZXFRCX-UHFFFAOYSA-N -1 3 396.520 3.641 20 0 GHADHM CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000735652235 598892793 /nfs/dbraw/zinc/89/27/93/598892793.db2.gz DVFNITLGZXFRCX-UHFFFAOYSA-N -1 3 396.520 3.641 20 0 GHADHM Cc1nn(C)c(Cl)c1CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737512209 598902365 /nfs/dbraw/zinc/90/23/65/598902365.db2.gz SMBSAMJXDRYDBE-UHFFFAOYSA-N -1 3 397.895 3.916 20 0 GHADHM Cc1nn(C)c(Cl)c1CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737512209 598902366 /nfs/dbraw/zinc/90/23/66/598902366.db2.gz SMBSAMJXDRYDBE-UHFFFAOYSA-N -1 3 397.895 3.916 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(COc2cccc(F)c2)c1 ZINC000738209147 598903904 /nfs/dbraw/zinc/90/39/04/598903904.db2.gz MPQCWOHUELKDST-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(COc2cccc(F)c2)c1 ZINC000738209147 598903905 /nfs/dbraw/zinc/90/39/05/598903905.db2.gz MPQCWOHUELKDST-UHFFFAOYSA-N -1 3 395.419 3.899 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1csc2cncn21 ZINC000738210697 598905445 /nfs/dbraw/zinc/90/54/45/598905445.db2.gz SUAWJCYIOFRXSH-UHFFFAOYSA-N -1 3 393.457 3.557 20 0 GHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1csc2cncn21 ZINC000738210697 598905446 /nfs/dbraw/zinc/90/54/46/598905446.db2.gz SUAWJCYIOFRXSH-UHFFFAOYSA-N -1 3 393.457 3.557 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000738099347 598906006 /nfs/dbraw/zinc/90/60/06/598906006.db2.gz CWEFDDPPNQTAKN-UHFFFAOYSA-N -1 3 393.838 3.633 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000738099347 598906007 /nfs/dbraw/zinc/90/60/07/598906007.db2.gz CWEFDDPPNQTAKN-UHFFFAOYSA-N -1 3 393.838 3.633 20 0 GHADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736354222 598907297 /nfs/dbraw/zinc/90/72/97/598907297.db2.gz ZXIXYLOPHYGFLW-ZWNOBZJWSA-N -1 3 391.884 3.616 20 0 GHADHM CCO[C@H](C)c1nc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cs1 ZINC000736618022 598912851 /nfs/dbraw/zinc/91/28/51/598912851.db2.gz UGRXQKWDVQFWTC-LLVKDONJSA-N -1 3 376.511 3.725 20 0 GHADHM CCO[C@H](C)c1nc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cs1 ZINC000736618022 598912852 /nfs/dbraw/zinc/91/28/52/598912852.db2.gz UGRXQKWDVQFWTC-LLVKDONJSA-N -1 3 376.511 3.725 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000735661526 598919575 /nfs/dbraw/zinc/91/95/75/598919575.db2.gz UDMWMODXICACOZ-FQEVSTJZSA-N -1 3 383.500 3.777 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000735661526 598919576 /nfs/dbraw/zinc/91/95/76/598919576.db2.gz UDMWMODXICACOZ-FQEVSTJZSA-N -1 3 383.500 3.777 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000736360815 598927495 /nfs/dbraw/zinc/92/74/95/598927495.db2.gz AERSIXOOVVSHSO-GOSISDBHSA-N -1 3 379.464 3.610 20 0 GHADHM CC[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000736360815 598927497 /nfs/dbraw/zinc/92/74/97/598927497.db2.gz AERSIXOOVVSHSO-GOSISDBHSA-N -1 3 379.464 3.610 20 0 GHADHM CC1CCC(=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)CC1 ZINC000736237847 598927507 /nfs/dbraw/zinc/92/75/07/598927507.db2.gz QFVPGRPASPKWQJ-UHFFFAOYSA-N -1 3 393.413 3.894 20 0 GHADHM CC1CCC(=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)CC1 ZINC000736237847 598927508 /nfs/dbraw/zinc/92/75/08/598927508.db2.gz QFVPGRPASPKWQJ-UHFFFAOYSA-N -1 3 393.413 3.894 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000736124671 598927817 /nfs/dbraw/zinc/92/78/17/598927817.db2.gz VUCCELUGPPBQFT-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000736124671 598927818 /nfs/dbraw/zinc/92/78/18/598927818.db2.gz VUCCELUGPPBQFT-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736225633 598930644 /nfs/dbraw/zinc/93/06/44/598930644.db2.gz QTDTUXCCLUEXFU-IYBDPMFKSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736225633 598930645 /nfs/dbraw/zinc/93/06/45/598930645.db2.gz QTDTUXCCLUEXFU-IYBDPMFKSA-N -1 3 391.475 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1cccc(Cl)c1 ZINC000737031600 598939350 /nfs/dbraw/zinc/93/93/50/598939350.db2.gz AUGQDZVDWZHLCH-UHFFFAOYSA-N -1 3 376.869 3.841 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1cccc(Cl)c1 ZINC000737031600 598939352 /nfs/dbraw/zinc/93/93/52/598939352.db2.gz AUGQDZVDWZHLCH-UHFFFAOYSA-N -1 3 376.869 3.841 20 0 GHADHM Fc1ccc(-c2nc(CCNc3c(F)cc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000737654362 598940284 /nfs/dbraw/zinc/94/02/84/598940284.db2.gz ZWSLCQBXSQDEBT-UHFFFAOYSA-N -1 3 386.337 3.594 20 0 GHADHM Fc1ccc(-c2nc(CCNc3c(F)cc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000737654362 598940285 /nfs/dbraw/zinc/94/02/85/598940285.db2.gz ZWSLCQBXSQDEBT-UHFFFAOYSA-N -1 3 386.337 3.594 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000736401477 598942300 /nfs/dbraw/zinc/94/23/00/598942300.db2.gz XPWRWVSECQWACL-GJZGRUSLSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000736401477 598942302 /nfs/dbraw/zinc/94/23/02/598942302.db2.gz XPWRWVSECQWACL-GJZGRUSLSA-N -1 3 395.463 3.737 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000736508355 598971213 /nfs/dbraw/zinc/97/12/13/598971213.db2.gz KKEUIXZLXYNVHE-HNNXBMFYSA-N -1 3 399.520 3.762 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000736508355 598971214 /nfs/dbraw/zinc/97/12/14/598971214.db2.gz KKEUIXZLXYNVHE-HNNXBMFYSA-N -1 3 399.520 3.762 20 0 GHADHM CC(C)CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000735819612 598990397 /nfs/dbraw/zinc/99/03/97/598990397.db2.gz ZOVQNUVOXBLSSW-UHFFFAOYSA-N -1 3 393.491 3.952 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736342547 599002487 /nfs/dbraw/zinc/00/24/87/599002487.db2.gz PPMTXNTYELIFTB-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736342547 599002489 /nfs/dbraw/zinc/00/24/89/599002489.db2.gz PPMTXNTYELIFTB-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM c1cc(COc2cccc(-c3nnn[n-]3)c2)cc(-c2nc(-c3ccncc3)no2)c1 ZINC000738419013 599010731 /nfs/dbraw/zinc/01/07/31/599010731.db2.gz LSVOLADABRALLB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1cc(COc2cccc(-c3nn[n-]n3)c2)cc(-c2nc(-c3ccncc3)no2)c1 ZINC000738419013 599010732 /nfs/dbraw/zinc/01/07/32/599010732.db2.gz LSVOLADABRALLB-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736228971 599020857 /nfs/dbraw/zinc/02/08/57/599020857.db2.gz PEZRPWVVYRWFIC-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736228971 599020859 /nfs/dbraw/zinc/02/08/59/599020859.db2.gz PEZRPWVVYRWFIC-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738191957 599035878 /nfs/dbraw/zinc/03/58/78/599035878.db2.gz ORHFILNMERDVFO-QWHCGFSZSA-N -1 3 389.337 3.508 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738191957 599035880 /nfs/dbraw/zinc/03/58/80/599035880.db2.gz ORHFILNMERDVFO-QWHCGFSZSA-N -1 3 389.337 3.508 20 0 GHADHM COc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737077521 599039213 /nfs/dbraw/zinc/03/92/13/599039213.db2.gz VNPODUFJTBZFSV-CQSZACIVSA-N -1 3 390.369 3.631 20 0 GHADHM COc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737077521 599039216 /nfs/dbraw/zinc/03/92/16/599039216.db2.gz VNPODUFJTBZFSV-CQSZACIVSA-N -1 3 390.369 3.631 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000737632813 599039841 /nfs/dbraw/zinc/03/98/41/599039841.db2.gz NGBZGMJHRMLMOK-MRXNPFEDSA-N -1 3 397.364 3.877 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000737632813 599039843 /nfs/dbraw/zinc/03/98/43/599039843.db2.gz NGBZGMJHRMLMOK-MRXNPFEDSA-N -1 3 397.364 3.877 20 0 GHADHM Cc1ccc2cccc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)c2n1 ZINC000737378392 599042508 /nfs/dbraw/zinc/04/25/08/599042508.db2.gz RTIFYTPPDWDXPS-UHFFFAOYSA-N -1 3 386.459 3.774 20 0 GHADHM Cc1ccc2cccc(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)c2n1 ZINC000737378392 599042511 /nfs/dbraw/zinc/04/25/11/599042511.db2.gz RTIFYTPPDWDXPS-UHFFFAOYSA-N -1 3 386.459 3.774 20 0 GHADHM Cc1cccc(C2(O)CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1C ZINC000822299864 599048308 /nfs/dbraw/zinc/04/83/08/599048308.db2.gz XHXLWBFAOYDVFE-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM Cc1cccc(C2(O)CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)c1C ZINC000822299864 599048310 /nfs/dbraw/zinc/04/83/10/599048310.db2.gz XHXLWBFAOYDVFE-UHFFFAOYSA-N -1 3 383.883 3.625 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCc2c[nH]c3c2cccc3C)s1 ZINC000736679187 599071475 /nfs/dbraw/zinc/07/14/75/599071475.db2.gz NMQSLFCFZXNQJE-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCc2c[nH]c3c2cccc3C)s1 ZINC000736679187 599071478 /nfs/dbraw/zinc/07/14/78/599071478.db2.gz NMQSLFCFZXNQJE-UHFFFAOYSA-N -1 3 380.477 3.852 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000821346264 599072156 /nfs/dbraw/zinc/07/21/56/599072156.db2.gz FVLFWWJXERZPGK-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM CCO[C@H](C)c1nc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000821346264 599072159 /nfs/dbraw/zinc/07/21/59/599072159.db2.gz FVLFWWJXERZPGK-SNVBAGLBSA-N -1 3 378.889 3.711 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCCCC1 ZINC000736119992 599079413 /nfs/dbraw/zinc/07/94/13/599079413.db2.gz UILHADUZJDUYQZ-CQSZACIVSA-N -1 3 395.463 3.737 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CCCCC1 ZINC000736119992 599079416 /nfs/dbraw/zinc/07/94/16/599079416.db2.gz UILHADUZJDUYQZ-CQSZACIVSA-N -1 3 395.463 3.737 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736425186 599084088 /nfs/dbraw/zinc/08/40/88/599084088.db2.gz FCJCDGBCTVXPQB-SJLPKXTDSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736425186 599084091 /nfs/dbraw/zinc/08/40/91/599084091.db2.gz FCJCDGBCTVXPQB-SJLPKXTDSA-N -1 3 393.491 3.552 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736425555 599084325 /nfs/dbraw/zinc/08/43/25/599084325.db2.gz IGVBGAFTYIIQER-FQEVSTJZSA-N -1 3 377.492 3.717 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736425555 599084328 /nfs/dbraw/zinc/08/43/28/599084328.db2.gz IGVBGAFTYIIQER-FQEVSTJZSA-N -1 3 377.492 3.717 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000736184244 599084344 /nfs/dbraw/zinc/08/43/44/599084344.db2.gz WXQQJSWPKCLCGI-HNNXBMFYSA-N -1 3 395.463 3.589 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000736184244 599084346 /nfs/dbraw/zinc/08/43/46/599084346.db2.gz WXQQJSWPKCLCGI-HNNXBMFYSA-N -1 3 395.463 3.589 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000736685046 599085341 /nfs/dbraw/zinc/08/53/41/599085341.db2.gz JZJWEIZIEXZUBJ-YOEHRIQHSA-N -1 3 395.463 3.543 20 0 GHADHM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000736685046 599085343 /nfs/dbraw/zinc/08/53/43/599085343.db2.gz JZJWEIZIEXZUBJ-YOEHRIQHSA-N -1 3 395.463 3.543 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820281921 599089713 /nfs/dbraw/zinc/08/97/13/599089713.db2.gz ZIQWNSWWZDMMNI-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820281921 599089715 /nfs/dbraw/zinc/08/97/15/599089715.db2.gz ZIQWNSWWZDMMNI-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)c2sccc2-c2nnn[n-]2)C2CC2)C1 ZINC000737423387 599094390 /nfs/dbraw/zinc/09/43/90/599094390.db2.gz PJARGIJALBLBIR-UHFFFAOYSA-N -1 3 379.489 3.787 20 0 GHADHM Cc1ccccc1C1CC(N(C(=O)c2sccc2-c2nn[n-]n2)C2CC2)C1 ZINC000737423387 599094393 /nfs/dbraw/zinc/09/43/93/599094393.db2.gz PJARGIJALBLBIR-UHFFFAOYSA-N -1 3 379.489 3.787 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737390720 599103701 /nfs/dbraw/zinc/10/37/01/599103701.db2.gz WENXRBHPPWACSK-UZLBHIALSA-N -1 3 391.475 3.615 20 0 GHADHM FC(F)(F)COc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822719081 607258368 /nfs/dbraw/zinc/25/83/68/607258368.db2.gz YWAZCTWTRKDVLF-UHFFFAOYSA-N -1 3 381.383 3.636 20 0 GHADHM FC(F)(F)COc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822719081 607258369 /nfs/dbraw/zinc/25/83/69/607258369.db2.gz YWAZCTWTRKDVLF-UHFFFAOYSA-N -1 3 381.383 3.636 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821109231 599115567 /nfs/dbraw/zinc/11/55/67/599115567.db2.gz DHQXYCHAFDDLOH-GOSISDBHSA-N -1 3 398.854 3.505 20 0 GHADHM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821109231 599115569 /nfs/dbraw/zinc/11/55/69/599115569.db2.gz DHQXYCHAFDDLOH-GOSISDBHSA-N -1 3 398.854 3.505 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823066179 599128749 /nfs/dbraw/zinc/12/87/49/599128749.db2.gz OFWGOPRNCOLWTN-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823066179 599128751 /nfs/dbraw/zinc/12/87/51/599128751.db2.gz OFWGOPRNCOLWTN-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)o1 ZINC000822227378 599141666 /nfs/dbraw/zinc/14/16/66/599141666.db2.gz GTCKUMDTXUUDML-CYBMUJFWSA-N -1 3 390.403 3.698 20 0 GHADHM CCCCC[C@H](C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821042516 599150888 /nfs/dbraw/zinc/15/08/88/599150888.db2.gz DCUWHAUGQRBIKX-INIZCTEOSA-N -1 3 385.512 3.843 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(F)c1 ZINC000735975666 599159382 /nfs/dbraw/zinc/15/93/82/599159382.db2.gz NRNVTTOKWYEPNG-JTQLQIEISA-N -1 3 391.353 3.740 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(F)c1 ZINC000735975666 599159385 /nfs/dbraw/zinc/15/93/85/599159385.db2.gz NRNVTTOKWYEPNG-JTQLQIEISA-N -1 3 391.353 3.740 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735874928 599159492 /nfs/dbraw/zinc/15/94/92/599159492.db2.gz NWGQMCHKGLEVLH-HZPDHXFCSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735874928 599159495 /nfs/dbraw/zinc/15/94/95/599159495.db2.gz NWGQMCHKGLEVLH-HZPDHXFCSA-N -1 3 397.429 3.686 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737419798 599161567 /nfs/dbraw/zinc/16/15/67/599161567.db2.gz DWWFVLOPYMUHTA-GFCCVEGCSA-N -1 3 387.390 3.909 20 0 GHADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737419798 599161569 /nfs/dbraw/zinc/16/15/69/599161569.db2.gz DWWFVLOPYMUHTA-GFCCVEGCSA-N -1 3 387.390 3.909 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000738292164 599168537 /nfs/dbraw/zinc/16/85/37/599168537.db2.gz XGDXGUOIWVGSNY-CYBMUJFWSA-N -1 3 391.909 3.512 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000738292164 599168540 /nfs/dbraw/zinc/16/85/40/599168540.db2.gz XGDXGUOIWVGSNY-CYBMUJFWSA-N -1 3 391.909 3.512 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)C1CCC(c2ccccc2)CC1 ZINC000823233780 599179650 /nfs/dbraw/zinc/17/96/50/599179650.db2.gz ILKOEPIYZLJFCT-UHFFFAOYSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1CCC(c2ccccc2)CC1 ZINC000823233780 599179652 /nfs/dbraw/zinc/17/96/52/599179652.db2.gz ILKOEPIYZLJFCT-UHFFFAOYSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1Cl ZINC000738165056 599188092 /nfs/dbraw/zinc/18/80/92/599188092.db2.gz DFTIAZJLEDJFAI-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1Cl ZINC000738165056 599188094 /nfs/dbraw/zinc/18/80/94/599188094.db2.gz DFTIAZJLEDJFAI-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737805869 599188342 /nfs/dbraw/zinc/18/83/42/599188342.db2.gz DECWWFQSMWRRMS-IBGZPJMESA-N -1 3 384.443 3.617 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737805869 599188345 /nfs/dbraw/zinc/18/83/45/599188345.db2.gz DECWWFQSMWRRMS-IBGZPJMESA-N -1 3 384.443 3.617 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666544 599189828 /nfs/dbraw/zinc/18/98/28/599189828.db2.gz IIXIRDUBBSXSRB-UGSOOPFHSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666544 599189831 /nfs/dbraw/zinc/18/98/31/599189831.db2.gz IIXIRDUBBSXSRB-UGSOOPFHSA-N -1 3 397.479 3.708 20 0 GHADHM CS[C@H]1CC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821948991 599186136 /nfs/dbraw/zinc/18/61/36/599186136.db2.gz FCUAUJNIPPYUJZ-MSOLQXFVSA-N -1 3 394.504 3.624 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1Cc2ccccc21 ZINC000738174397 599186407 /nfs/dbraw/zinc/18/64/07/599186407.db2.gz YVXFTZYYJKQOIS-FQEVSTJZSA-N -1 3 383.411 3.937 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1Cc2ccccc21 ZINC000738174397 599186409 /nfs/dbraw/zinc/18/64/09/599186409.db2.gz YVXFTZYYJKQOIS-FQEVSTJZSA-N -1 3 383.411 3.937 20 0 GHADHM CCc1cnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000821499170 599195241 /nfs/dbraw/zinc/19/52/41/599195241.db2.gz FCDONPHAPVJVDH-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000737963227 599198155 /nfs/dbraw/zinc/19/81/55/599198155.db2.gz SRZMYKSEUUDTIH-GOSISDBHSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000737963227 599198156 /nfs/dbraw/zinc/19/81/56/599198156.db2.gz SRZMYKSEUUDTIH-GOSISDBHSA-N -1 3 389.484 3.571 20 0 GHADHM O=C(c1cncs1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738282956 599211483 /nfs/dbraw/zinc/21/14/83/599211483.db2.gz GJUZWGIBKQJRMS-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1cncs1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738282956 599211485 /nfs/dbraw/zinc/21/14/85/599211485.db2.gz GJUZWGIBKQJRMS-UHFFFAOYSA-N -1 3 396.863 3.824 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823498343 599213541 /nfs/dbraw/zinc/21/35/41/599213541.db2.gz LQQTUXJHGHGMEW-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823498343 599213542 /nfs/dbraw/zinc/21/35/42/599213542.db2.gz LQQTUXJHGHGMEW-UHFFFAOYSA-N -1 3 391.431 3.937 20 0 GHADHM O=C(OCc1ccno1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738233817 599217825 /nfs/dbraw/zinc/21/78/25/599217825.db2.gz HEQXGQXOLCOUCK-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821482866 599220813 /nfs/dbraw/zinc/22/08/13/599220813.db2.gz VXUDDJZFGRCCLC-RDTXWAMCSA-N -1 3 379.464 3.564 20 0 GHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821482866 599220815 /nfs/dbraw/zinc/22/08/15/599220815.db2.gz VXUDDJZFGRCCLC-RDTXWAMCSA-N -1 3 379.464 3.564 20 0 GHADHM c1cc(CCSCCCOc2ccc(-c3nn[n-]n3)cc2)cc2c1OCC2 ZINC000823766459 599224912 /nfs/dbraw/zinc/22/49/12/599224912.db2.gz DHHUACLGUJJFMZ-UHFFFAOYSA-N -1 3 382.489 3.546 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000822761369 599229743 /nfs/dbraw/zinc/22/97/43/599229743.db2.gz KQQQVQQPORNPEX-UHFFFAOYSA-N -1 3 396.373 3.511 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000822761369 599229744 /nfs/dbraw/zinc/22/97/44/599229744.db2.gz KQQQVQQPORNPEX-UHFFFAOYSA-N -1 3 396.373 3.511 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820020256 599230668 /nfs/dbraw/zinc/23/06/68/599230668.db2.gz CJAYXDCNNIEYOW-KRWDZBQOSA-N -1 3 384.484 3.560 20 0 GHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820020256 599230670 /nfs/dbraw/zinc/23/06/70/599230670.db2.gz CJAYXDCNNIEYOW-KRWDZBQOSA-N -1 3 384.484 3.560 20 0 GHADHM Cc1csc(N(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc2)n1 ZINC000822414439 607263182 /nfs/dbraw/zinc/26/31/82/607263182.db2.gz FSJBONWEVNNWBO-UHFFFAOYSA-N -1 3 397.851 3.659 20 0 GHADHM Cc1csc(N(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc2)n1 ZINC000822414439 607263183 /nfs/dbraw/zinc/26/31/83/607263183.db2.gz FSJBONWEVNNWBO-UHFFFAOYSA-N -1 3 397.851 3.659 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1CC(F)(F)F ZINC000737946409 599227256 /nfs/dbraw/zinc/22/72/56/599227256.db2.gz FJEKIZOHUDTXLT-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CC(F)(F)F ZINC000737946409 599227259 /nfs/dbraw/zinc/22/72/59/599227259.db2.gz FJEKIZOHUDTXLT-UHFFFAOYSA-N -1 3 393.394 3.702 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNC(=S)Nc1ccc(Cl)cc1Cl ZINC000822761185 599229162 /nfs/dbraw/zinc/22/91/62/599229162.db2.gz BEBKOGVZUHMCPG-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)Nc1ccc(Cl)cc1Cl ZINC000822761185 599229163 /nfs/dbraw/zinc/22/91/63/599229163.db2.gz BEBKOGVZUHMCPG-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826429217 607834482 /nfs/dbraw/zinc/83/44/82/607834482.db2.gz XADSIHFEZFOUBB-RISCZKNCSA-N -1 3 392.221 3.599 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826429217 607834483 /nfs/dbraw/zinc/83/44/83/607834483.db2.gz XADSIHFEZFOUBB-RISCZKNCSA-N -1 3 392.221 3.599 20 0 GHADHM CC(C)C1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000735750711 599246984 /nfs/dbraw/zinc/24/69/84/599246984.db2.gz SLGGICIMFICPCH-UHFFFAOYSA-N -1 3 395.463 3.547 20 0 GHADHM O=C(/C=C\C1CCCCC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737798740 599247132 /nfs/dbraw/zinc/24/71/32/599247132.db2.gz UXGUIWFAAGUBLD-FLIBITNWSA-N -1 3 394.504 3.989 20 0 GHADHM O=C(/C=C\C1CCCCC1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737798740 599247134 /nfs/dbraw/zinc/24/71/34/599247134.db2.gz UXGUIWFAAGUBLD-FLIBITNWSA-N -1 3 394.504 3.989 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC2CCCCC2)cc1 ZINC000605126914 599247654 /nfs/dbraw/zinc/24/76/54/599247654.db2.gz JRRXLTQTEFGENC-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC2CCCCC2)cc1 ZINC000605126914 599247656 /nfs/dbraw/zinc/24/76/56/599247656.db2.gz JRRXLTQTEFGENC-UHFFFAOYSA-N -1 3 377.448 3.508 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736230873 599248328 /nfs/dbraw/zinc/24/83/28/599248328.db2.gz AAIOGAKIJFLGGR-IFXJQAMLSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736230873 599248330 /nfs/dbraw/zinc/24/83/30/599248330.db2.gz AAIOGAKIJFLGGR-IFXJQAMLSA-N -1 3 379.439 3.548 20 0 GHADHM Cc1c(NC(=O)NCCOc2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000822097418 607281886 /nfs/dbraw/zinc/28/18/86/607281886.db2.gz YFQGVXLKHIGLFO-UHFFFAOYSA-N -1 3 388.431 3.529 20 0 GHADHM Cc1c(NC(=O)NCCOc2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000822097418 607281887 /nfs/dbraw/zinc/28/18/87/607281887.db2.gz YFQGVXLKHIGLFO-UHFFFAOYSA-N -1 3 388.431 3.529 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(OC2CCCC2)cc1 ZINC000823238959 599253415 /nfs/dbraw/zinc/25/34/15/599253415.db2.gz VATZKIHWJCTDDX-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(OC2CCCC2)cc1 ZINC000823238959 599253418 /nfs/dbraw/zinc/25/34/18/599253418.db2.gz VATZKIHWJCTDDX-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000737387740 599262149 /nfs/dbraw/zinc/26/21/49/599262149.db2.gz AQNQCYOLQSIYKC-IBGZPJMESA-N -1 3 391.475 3.698 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000737387740 599262153 /nfs/dbraw/zinc/26/21/53/599262153.db2.gz AQNQCYOLQSIYKC-IBGZPJMESA-N -1 3 391.475 3.698 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822088872 607290148 /nfs/dbraw/zinc/29/01/48/607290148.db2.gz AQISXDCVYGFUBI-KRWDZBQOSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1c(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822088872 607290149 /nfs/dbraw/zinc/29/01/49/607290149.db2.gz AQISXDCVYGFUBI-KRWDZBQOSA-N -1 3 390.447 3.743 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000822103605 607290968 /nfs/dbraw/zinc/29/09/68/607290968.db2.gz IMCQLWJSVIZXKV-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000822103605 607290969 /nfs/dbraw/zinc/29/09/69/607290969.db2.gz IMCQLWJSVIZXKV-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1c(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084555 607292311 /nfs/dbraw/zinc/29/23/11/607292311.db2.gz MSIBNLITRSSZIQ-QGZVFWFLSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1c(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822084555 607292312 /nfs/dbraw/zinc/29/23/12/607292312.db2.gz MSIBNLITRSSZIQ-QGZVFWFLSA-N -1 3 376.464 3.804 20 0 GHADHM Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)cc1 ZINC000822263350 607292613 /nfs/dbraw/zinc/29/26/13/607292613.db2.gz NVFDQJAEDPIQJR-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)cc1 ZINC000822263350 607292614 /nfs/dbraw/zinc/29/26/14/607292614.db2.gz NVFDQJAEDPIQJR-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821504174 599260164 /nfs/dbraw/zinc/26/01/64/599260164.db2.gz CPQATYUJCVHJOC-YPMHNXCESA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821504174 599260166 /nfs/dbraw/zinc/26/01/66/599260166.db2.gz CPQATYUJCVHJOC-YPMHNXCESA-N -1 3 399.524 3.658 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000819933604 607314775 /nfs/dbraw/zinc/31/47/75/607314775.db2.gz XGFSGQKBEDIVEB-UHFFFAOYSA-N -1 3 398.492 3.838 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(NCc3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000819933604 607314776 /nfs/dbraw/zinc/31/47/76/607314776.db2.gz XGFSGQKBEDIVEB-UHFFFAOYSA-N -1 3 398.492 3.838 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000822234710 599265598 /nfs/dbraw/zinc/26/55/98/599265598.db2.gz FEAVLHLSMFSLJL-ZDUSSCGKSA-N -1 3 398.467 3.698 20 0 GHADHM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000822234710 599265599 /nfs/dbraw/zinc/26/55/99/599265599.db2.gz FEAVLHLSMFSLJL-ZDUSSCGKSA-N -1 3 398.467 3.698 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000822217822 599273158 /nfs/dbraw/zinc/27/31/58/599273158.db2.gz OYHOANAFNHCTCR-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000822217822 599273160 /nfs/dbraw/zinc/27/31/60/599273160.db2.gz OYHOANAFNHCTCR-KPZWWZAWSA-N -1 3 380.427 3.929 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc(C(C)C)c1 ZINC000736487960 599277263 /nfs/dbraw/zinc/27/72/63/599277263.db2.gz LPEREONUDCEJRJ-UHFFFAOYSA-N -1 3 394.479 3.830 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CSc2ccccc21 ZINC000735874545 599279593 /nfs/dbraw/zinc/27/95/93/599279593.db2.gz JULSURHHKNMBNS-KRWDZBQOSA-N -1 3 394.504 3.634 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CSc2ccccc21 ZINC000735874545 599279595 /nfs/dbraw/zinc/27/95/95/599279595.db2.gz JULSURHHKNMBNS-KRWDZBQOSA-N -1 3 394.504 3.634 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819949879 599280703 /nfs/dbraw/zinc/28/07/03/599280703.db2.gz ATFAABNAVMDVLI-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819949879 599280705 /nfs/dbraw/zinc/28/07/05/599280705.db2.gz ATFAABNAVMDVLI-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1-c1ccccc1C ZINC000737418349 599286059 /nfs/dbraw/zinc/28/60/59/599286059.db2.gz PFAGYUPKUREROC-ZDUSSCGKSA-N -1 3 377.477 3.918 20 0 GHADHM Cc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1-c1ccccc1C ZINC000737418349 599286060 /nfs/dbraw/zinc/28/60/60/599286060.db2.gz PFAGYUPKUREROC-ZDUSSCGKSA-N -1 3 377.477 3.918 20 0 GHADHM Cc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1-c1ccccc1C ZINC000737418347 599286073 /nfs/dbraw/zinc/28/60/73/599286073.db2.gz PFAGYUPKUREROC-CYBMUJFWSA-N -1 3 377.477 3.918 20 0 GHADHM Cc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1-c1ccccc1C ZINC000737418347 599286074 /nfs/dbraw/zinc/28/60/74/599286074.db2.gz PFAGYUPKUREROC-CYBMUJFWSA-N -1 3 377.477 3.918 20 0 GHADHM C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192929 599287307 /nfs/dbraw/zinc/28/73/07/599287307.db2.gz OWHNCQGAZKVCGU-LBPRGKRZSA-N -1 3 393.476 3.830 20 0 GHADHM C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192929 599287309 /nfs/dbraw/zinc/28/73/09/599287309.db2.gz OWHNCQGAZKVCGU-LBPRGKRZSA-N -1 3 393.476 3.830 20 0 GHADHM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820307369 599288503 /nfs/dbraw/zinc/28/85/03/599288503.db2.gz MCXYMDUESUBEDT-VIFPVBQESA-N -1 3 396.398 3.700 20 0 GHADHM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820307369 599288506 /nfs/dbraw/zinc/28/85/06/599288506.db2.gz MCXYMDUESUBEDT-VIFPVBQESA-N -1 3 396.398 3.700 20 0 GHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823498475 607321557 /nfs/dbraw/zinc/32/15/57/607321557.db2.gz RGLWBVWAVHMLPG-AWEZNQCLSA-N -1 3 375.404 3.574 20 0 GHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823498475 607321558 /nfs/dbraw/zinc/32/15/58/607321558.db2.gz RGLWBVWAVHMLPG-AWEZNQCLSA-N -1 3 375.404 3.574 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000823303804 599290274 /nfs/dbraw/zinc/29/02/74/599290274.db2.gz WAJVIDNGXCQOKX-UKRRQHHQSA-N -1 3 388.353 3.563 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000823303804 599290276 /nfs/dbraw/zinc/29/02/76/599290276.db2.gz WAJVIDNGXCQOKX-UKRRQHHQSA-N -1 3 388.353 3.563 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000820766266 607346000 /nfs/dbraw/zinc/34/60/00/607346000.db2.gz AXNADQLOPROUQY-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC000820766266 607346001 /nfs/dbraw/zinc/34/60/01/607346001.db2.gz AXNADQLOPROUQY-YVEFUNNKSA-N -1 3 389.381 3.852 20 0 GHADHM Fc1ccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cn2)cc1 ZINC000737656833 598240003 /nfs/dbraw/zinc/24/00/03/598240003.db2.gz POPRHAOZWKEUDF-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)c1ncccc1-c1nnn[n-]1 ZINC000736791227 598246290 /nfs/dbraw/zinc/24/62/90/598246290.db2.gz BDQYPUVASFERAG-UHFFFAOYSA-N -1 3 389.463 3.766 20 0 GHADHM CN(CCCCCc1cc(-c2ccccc2)no1)c1ncccc1-c1nn[n-]n1 ZINC000736791227 598246291 /nfs/dbraw/zinc/24/62/91/598246291.db2.gz BDQYPUVASFERAG-UHFFFAOYSA-N -1 3 389.463 3.766 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736797831 598247234 /nfs/dbraw/zinc/24/72/34/598247234.db2.gz MMEKZJAJYXTBTJ-UHFFFAOYSA-N -1 3 378.411 3.730 20 0 GHADHM Cc1cccc(C)c1NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737390917 598264434 /nfs/dbraw/zinc/26/44/34/598264434.db2.gz TUUWUMSWLDKIOI-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1cccc(C)c1NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737390917 598264436 /nfs/dbraw/zinc/26/44/36/598264436.db2.gz TUUWUMSWLDKIOI-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM CC(C)(C)OCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735639832 598266156 /nfs/dbraw/zinc/26/61/56/598266156.db2.gz PXHXMQVXPRZHST-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC(C)(C)OCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735639832 598266158 /nfs/dbraw/zinc/26/61/58/598266158.db2.gz PXHXMQVXPRZHST-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccccc1Cn1cccn1 ZINC000737625680 598275766 /nfs/dbraw/zinc/27/57/66/598275766.db2.gz DCOOJIBHDSCXPD-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000735661611 598276521 /nfs/dbraw/zinc/27/65/21/598276521.db2.gz VVUMCUVGROMDNR-INIZCTEOSA-N -1 3 379.468 3.792 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000735661611 598276522 /nfs/dbraw/zinc/27/65/22/598276522.db2.gz VVUMCUVGROMDNR-INIZCTEOSA-N -1 3 379.468 3.792 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cccc(Cn2cccn2)c1 ZINC000737626135 598277004 /nfs/dbraw/zinc/27/70/04/598277004.db2.gz IPKKCEBTIACVCG-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000737420855 598280964 /nfs/dbraw/zinc/28/09/64/598280964.db2.gz HLPSBLFSNYXZOA-HNNXBMFYSA-N -1 3 393.495 3.753 20 0 GHADHM Cc1ccccc1[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000737420855 598280966 /nfs/dbraw/zinc/28/09/66/598280966.db2.gz HLPSBLFSNYXZOA-HNNXBMFYSA-N -1 3 393.495 3.753 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736193903 598281635 /nfs/dbraw/zinc/28/16/35/598281635.db2.gz UJUSKIMTYISJDG-JTQLQIEISA-N -1 3 391.859 3.803 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736193903 598281636 /nfs/dbraw/zinc/28/16/36/598281636.db2.gz UJUSKIMTYISJDG-JTQLQIEISA-N -1 3 391.859 3.803 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736193904 598281674 /nfs/dbraw/zinc/28/16/74/598281674.db2.gz UJUSKIMTYISJDG-SNVBAGLBSA-N -1 3 391.859 3.803 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736193904 598281676 /nfs/dbraw/zinc/28/16/76/598281676.db2.gz UJUSKIMTYISJDG-SNVBAGLBSA-N -1 3 391.859 3.803 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736654449 598285147 /nfs/dbraw/zinc/28/51/47/598285147.db2.gz UIPCXKKWQCJMCK-SFHVURJKSA-N -1 3 394.479 3.558 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736654449 598285148 /nfs/dbraw/zinc/28/51/48/598285148.db2.gz UIPCXKKWQCJMCK-SFHVURJKSA-N -1 3 394.479 3.558 20 0 GHADHM C[C@@H](Sc1cc(F)ccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736193696 598295784 /nfs/dbraw/zinc/29/57/84/598295784.db2.gz RUJUMFJACLUHKS-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1cc(F)ccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736193696 598295786 /nfs/dbraw/zinc/29/57/86/598295786.db2.gz RUJUMFJACLUHKS-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736330402 598297424 /nfs/dbraw/zinc/29/74/24/598297424.db2.gz XKZHICMRXMITSY-AHKFDXCISA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736330402 598297425 /nfs/dbraw/zinc/29/74/25/598297425.db2.gz XKZHICMRXMITSY-AHKFDXCISA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736327479 598297533 /nfs/dbraw/zinc/29/75/33/598297533.db2.gz LIGUQCDXGWTXLL-HCYCVZQXSA-N -1 3 393.447 3.705 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736327479 598297534 /nfs/dbraw/zinc/29/75/34/598297534.db2.gz LIGUQCDXGWTXLL-HCYCVZQXSA-N -1 3 393.447 3.705 20 0 GHADHM CCn1c(C)nnc1SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736719883 598315366 /nfs/dbraw/zinc/31/53/66/598315366.db2.gz DHFQXVJQOCAQDL-UHFFFAOYSA-N -1 3 377.477 3.746 20 0 GHADHM CCn1c(C)nnc1SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736719883 598315367 /nfs/dbraw/zinc/31/53/67/598315367.db2.gz DHFQXVJQOCAQDL-UHFFFAOYSA-N -1 3 377.477 3.746 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000736509039 598318619 /nfs/dbraw/zinc/31/86/19/598318619.db2.gz QZDQAPPHPBELHP-UHFFFAOYSA-N -1 3 376.848 3.883 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000736509039 598318620 /nfs/dbraw/zinc/31/86/20/598318620.db2.gz QZDQAPPHPBELHP-UHFFFAOYSA-N -1 3 376.848 3.883 20 0 GHADHM S=C(Nc1ccc(N2CCCC2)cc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738407180 598319558 /nfs/dbraw/zinc/31/95/58/598319558.db2.gz GJTNKWBDGPLWCA-UHFFFAOYSA-N -1 3 399.911 3.929 20 0 GHADHM S=C(Nc1ccc(N2CCCC2)cc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738407180 598319560 /nfs/dbraw/zinc/31/95/60/598319560.db2.gz GJTNKWBDGPLWCA-UHFFFAOYSA-N -1 3 399.911 3.929 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(OC)cc1 ZINC000736509008 598323773 /nfs/dbraw/zinc/32/37/73/598323773.db2.gz PYXALWRIHUSRFL-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(OC)cc1 ZINC000736509008 598323775 /nfs/dbraw/zinc/32/37/75/598323775.db2.gz PYXALWRIHUSRFL-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CC(C)c1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cs1 ZINC000736279760 598325500 /nfs/dbraw/zinc/32/55/00/598325500.db2.gz MFQROKSBJTXHBV-VIFPVBQESA-N -1 3 388.522 3.885 20 0 GHADHM CC(C)c1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cs1 ZINC000736279760 598325502 /nfs/dbraw/zinc/32/55/02/598325502.db2.gz MFQROKSBJTXHBV-VIFPVBQESA-N -1 3 388.522 3.885 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000736366161 598325989 /nfs/dbraw/zinc/32/59/89/598325989.db2.gz YUWPLSBDWNONEY-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736366161 598325991 /nfs/dbraw/zinc/32/59/91/598325991.db2.gz YUWPLSBDWNONEY-INIZCTEOSA-N -1 3 388.834 3.610 20 0 GHADHM O=C(NC1CCCCCCC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738024556 598326235 /nfs/dbraw/zinc/32/62/35/598326235.db2.gz KPOLKFJCIJKTFZ-UHFFFAOYSA-N -1 3 395.463 3.881 20 0 GHADHM O=C(NC1CCCCCCC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738024556 598326236 /nfs/dbraw/zinc/32/62/36/598326236.db2.gz KPOLKFJCIJKTFZ-UHFFFAOYSA-N -1 3 395.463 3.881 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247141 598326744 /nfs/dbraw/zinc/32/67/44/598326744.db2.gz AIPMRJIFERMDRH-WMLDXEAASA-N -1 3 395.463 3.689 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247141 598326747 /nfs/dbraw/zinc/32/67/47/598326747.db2.gz AIPMRJIFERMDRH-WMLDXEAASA-N -1 3 395.463 3.689 20 0 GHADHM CCCN(CC(C)C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736472102 598327691 /nfs/dbraw/zinc/32/76/91/598327691.db2.gz YCWPDGYXUJKSNC-UHFFFAOYSA-N -1 3 383.452 3.547 20 0 GHADHM CCCN(CC(C)C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736472102 598327693 /nfs/dbraw/zinc/32/76/93/598327693.db2.gz YCWPDGYXUJKSNC-UHFFFAOYSA-N -1 3 383.452 3.547 20 0 GHADHM CCC(=O)c1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000820842999 607350991 /nfs/dbraw/zinc/35/09/91/607350991.db2.gz RYRAEVQRJYNTBG-IBGZPJMESA-N -1 3 393.447 3.502 20 0 GHADHM CCC(=O)c1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000820842999 607350993 /nfs/dbraw/zinc/35/09/93/607350993.db2.gz RYRAEVQRJYNTBG-IBGZPJMESA-N -1 3 393.447 3.502 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736389747 598358825 /nfs/dbraw/zinc/35/88/25/598358825.db2.gz DRMAERAOFFKRGQ-KRWDZBQOSA-N -1 3 395.463 3.795 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736389747 598358827 /nfs/dbraw/zinc/35/88/27/598358827.db2.gz DRMAERAOFFKRGQ-KRWDZBQOSA-N -1 3 395.463 3.795 20 0 GHADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737424906 598361056 /nfs/dbraw/zinc/36/10/56/598361056.db2.gz ZLMQKGSSSJSDRB-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1ccccc1C1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737424906 598361058 /nfs/dbraw/zinc/36/10/58/598361058.db2.gz ZLMQKGSSSJSDRB-UHFFFAOYSA-N -1 3 382.855 3.682 20 0 GHADHM Cc1ccc(C)c(N(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737323674 598373257 /nfs/dbraw/zinc/37/32/57/598373257.db2.gz UYABHWGIFXIPGF-INIZCTEOSA-N -1 3 379.464 3.692 20 0 GHADHM Cc1ccc(C)c(N(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737323674 598373259 /nfs/dbraw/zinc/37/32/59/598373259.db2.gz UYABHWGIFXIPGF-INIZCTEOSA-N -1 3 379.464 3.692 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736389730 598373762 /nfs/dbraw/zinc/37/37/62/598373762.db2.gz DEHSNORUPXVYAT-GOSISDBHSA-N -1 3 380.448 3.891 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736389730 598373764 /nfs/dbraw/zinc/37/37/64/598373764.db2.gz DEHSNORUPXVYAT-GOSISDBHSA-N -1 3 380.448 3.891 20 0 GHADHM c1ccc(-c2noc([C@@H]3CCCCN3Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738425771 598375432 /nfs/dbraw/zinc/37/54/32/598375432.db2.gz NPLFHTNSLAHBNP-SFHVURJKSA-N -1 3 387.447 3.644 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000737896387 598383762 /nfs/dbraw/zinc/38/37/62/598383762.db2.gz WYCPOHLKRNRZNI-OAQYLSRUSA-N -1 3 398.470 3.796 20 0 GHADHM COc1ccc2oc([C@@H](C)Nc3nnc(C)c(C)c3-c3nnn[n-]3)c(C)c2c1 ZINC000737119489 598388595 /nfs/dbraw/zinc/38/85/95/598388595.db2.gz BNGDENGYPCYGNV-GFCCVEGCSA-N -1 3 379.424 3.510 20 0 GHADHM COc1ccc2oc([C@@H](C)Nc3nnc(C)c(C)c3-c3nn[n-]n3)c(C)c2c1 ZINC000737119489 598388596 /nfs/dbraw/zinc/38/85/96/598388596.db2.gz BNGDENGYPCYGNV-GFCCVEGCSA-N -1 3 379.424 3.510 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000821118276 607355998 /nfs/dbraw/zinc/35/59/98/607355998.db2.gz KKUNKTMEINTJQN-CQSZACIVSA-N -1 3 382.493 3.809 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736164883 598415188 /nfs/dbraw/zinc/41/51/88/598415188.db2.gz QMEOBDVDKPTODP-SSDOTTSWSA-N -1 3 384.248 3.641 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736164883 598415189 /nfs/dbraw/zinc/41/51/89/598415189.db2.gz QMEOBDVDKPTODP-SSDOTTSWSA-N -1 3 384.248 3.641 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736686737 598416782 /nfs/dbraw/zinc/41/67/82/598416782.db2.gz QQCSFKVAUSQHHX-KBPBESRZSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736686737 598416783 /nfs/dbraw/zinc/41/67/83/598416783.db2.gz QQCSFKVAUSQHHX-KBPBESRZSA-N -1 3 381.505 3.787 20 0 GHADHM CCN(C(=S)Nc1ccc(Cl)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509392 598416911 /nfs/dbraw/zinc/41/69/11/598416911.db2.gz XFUDBUDNUWTJJZ-NSHDSACASA-N -1 3 387.900 3.695 20 0 GHADHM CCN(C(=S)Nc1ccc(Cl)nc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509392 598416913 /nfs/dbraw/zinc/41/69/13/598416913.db2.gz XFUDBUDNUWTJJZ-NSHDSACASA-N -1 3 387.900 3.695 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000737293347 598418393 /nfs/dbraw/zinc/41/83/93/598418393.db2.gz CKJRPAJUPQPDMH-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000737293347 598418395 /nfs/dbraw/zinc/41/83/95/598418395.db2.gz CKJRPAJUPQPDMH-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000735875582 598429237 /nfs/dbraw/zinc/42/92/37/598429237.db2.gz WFPBAKLRKUYOBZ-LJQANCHMSA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000735875582 598429239 /nfs/dbraw/zinc/42/92/39/598429239.db2.gz WFPBAKLRKUYOBZ-LJQANCHMSA-N -1 3 394.454 3.613 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)Cc1ccccc1F ZINC000736066577 598429540 /nfs/dbraw/zinc/42/95/40/598429540.db2.gz OUYJMZKAKDJHFD-OAHLLOKOSA-N -1 3 396.470 3.557 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)Cc1ccccc1F ZINC000736066577 598429541 /nfs/dbraw/zinc/42/95/41/598429541.db2.gz OUYJMZKAKDJHFD-OAHLLOKOSA-N -1 3 396.470 3.557 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1cc2c(cc1Cl)OCCO2 ZINC000737639896 598439895 /nfs/dbraw/zinc/43/98/95/598439895.db2.gz HKAUEKPAUZRCHL-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1cc2c(cc1Cl)OCCO2 ZINC000737639896 598439897 /nfs/dbraw/zinc/43/98/97/598439897.db2.gz HKAUEKPAUZRCHL-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112977 598469464 /nfs/dbraw/zinc/46/94/64/598469464.db2.gz LLFRRZBTSQIRCO-LPHOPBHVSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112977 598469465 /nfs/dbraw/zinc/46/94/65/598469465.db2.gz LLFRRZBTSQIRCO-LPHOPBHVSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163801 598486307 /nfs/dbraw/zinc/48/63/07/598486307.db2.gz RJKUXKHGCUOEPX-JTQLQIEISA-N -1 3 383.458 3.970 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163801 598486308 /nfs/dbraw/zinc/48/63/08/598486308.db2.gz RJKUXKHGCUOEPX-JTQLQIEISA-N -1 3 383.458 3.970 20 0 GHADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736162041 598486478 /nfs/dbraw/zinc/48/64/78/598486478.db2.gz FPBCHWLDLORKDB-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1cnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736162041 598486479 /nfs/dbraw/zinc/48/64/79/598486479.db2.gz FPBCHWLDLORKDB-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)CCOc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736150478 598487204 /nfs/dbraw/zinc/48/72/04/598487204.db2.gz OBRBHSUWHAGQSD-NSHDSACASA-N -1 3 390.802 3.733 20 0 GHADHM C[C@H](OC(=O)CCOc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736150478 598487206 /nfs/dbraw/zinc/48/72/06/598487206.db2.gz OBRBHSUWHAGQSD-NSHDSACASA-N -1 3 390.802 3.733 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737560625 598488551 /nfs/dbraw/zinc/48/85/51/598488551.db2.gz GMFJJVPQOOSWBX-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737560625 598488552 /nfs/dbraw/zinc/48/85/52/598488552.db2.gz GMFJJVPQOOSWBX-JTQLQIEISA-N -1 3 381.417 3.810 20 0 GHADHM COc1ccc(CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737089614 598488590 /nfs/dbraw/zinc/48/85/90/598488590.db2.gz YRSHHMPVDJFCBG-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccc(CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737089614 598488591 /nfs/dbraw/zinc/48/85/91/598488591.db2.gz YRSHHMPVDJFCBG-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736473084 598490217 /nfs/dbraw/zinc/49/02/17/598490217.db2.gz YTTPKFFOXYVZCG-UHFFFAOYSA-N -1 3 381.484 3.522 20 0 GHADHM CCCN(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736473084 598490219 /nfs/dbraw/zinc/49/02/19/598490219.db2.gz YTTPKFFOXYVZCG-UHFFFAOYSA-N -1 3 381.484 3.522 20 0 GHADHM C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736149318 598490306 /nfs/dbraw/zinc/49/03/06/598490306.db2.gz JJKGXLKQNMHKJP-CQSZACIVSA-N -1 3 389.415 3.759 20 0 GHADHM C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736149318 598490307 /nfs/dbraw/zinc/49/03/07/598490307.db2.gz JJKGXLKQNMHKJP-CQSZACIVSA-N -1 3 389.415 3.759 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736676142 598490743 /nfs/dbraw/zinc/49/07/43/598490743.db2.gz APXTWKCAXMXJMA-CQSZACIVSA-N -1 3 378.432 3.696 20 0 GHADHM CCc1ccc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736676142 598490745 /nfs/dbraw/zinc/49/07/45/598490745.db2.gz APXTWKCAXMXJMA-CQSZACIVSA-N -1 3 378.432 3.696 20 0 GHADHM C[C@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158884 598491758 /nfs/dbraw/zinc/49/17/58/598491758.db2.gz JYDKGTYCWWZTAR-LBPRGKRZSA-N -1 3 380.452 3.614 20 0 GHADHM C[C@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158884 598491759 /nfs/dbraw/zinc/49/17/59/598491759.db2.gz JYDKGTYCWWZTAR-LBPRGKRZSA-N -1 3 380.452 3.614 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736654870 598492561 /nfs/dbraw/zinc/49/25/61/598492561.db2.gz LJNZJCYQQVIZFE-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM CCOc1ccccc1OCCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736654870 598492563 /nfs/dbraw/zinc/49/25/63/598492563.db2.gz LJNZJCYQQVIZFE-HNNXBMFYSA-N -1 3 396.447 3.729 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000737963270 598500489 /nfs/dbraw/zinc/50/04/89/598500489.db2.gz UAPJDFJBPQRNNJ-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000737963270 598500491 /nfs/dbraw/zinc/50/04/91/598500491.db2.gz UAPJDFJBPQRNNJ-UHFFFAOYSA-N -1 3 389.390 3.979 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737381099 598504117 /nfs/dbraw/zinc/50/41/17/598504117.db2.gz SRRFECCSEBGTQD-UHFFFAOYSA-N -1 3 389.419 3.601 20 0 GHADHM Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737381099 598504119 /nfs/dbraw/zinc/50/41/19/598504119.db2.gz SRRFECCSEBGTQD-UHFFFAOYSA-N -1 3 389.419 3.601 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000736669286 598515196 /nfs/dbraw/zinc/51/51/96/598515196.db2.gz CEPYYFKVKRBLEM-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM CCc1c(C)sc(NC(=O)CCOc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000736669286 598515198 /nfs/dbraw/zinc/51/51/98/598515198.db2.gz CEPYYFKVKRBLEM-UHFFFAOYSA-N -1 3 385.493 3.823 20 0 GHADHM Cc1csc([C@@H](C)Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)n1 ZINC000737454708 598521266 /nfs/dbraw/zinc/52/12/66/598521266.db2.gz DZYSVLAPLYSKHX-GFCCVEGCSA-N -1 3 390.476 3.914 20 0 GHADHM Cc1csc([C@@H](C)Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)n1 ZINC000737454708 598521268 /nfs/dbraw/zinc/52/12/68/598521268.db2.gz DZYSVLAPLYSKHX-GFCCVEGCSA-N -1 3 390.476 3.914 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736425195 598527140 /nfs/dbraw/zinc/52/71/40/598527140.db2.gz FNKWXGKYCPQVHF-BEFAXECRSA-N -1 3 378.480 3.638 20 0 GHADHM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736425195 598527141 /nfs/dbraw/zinc/52/71/41/598527141.db2.gz FNKWXGKYCPQVHF-BEFAXECRSA-N -1 3 378.480 3.638 20 0 GHADHM O=C(OCCCOc1ccc2ccccc2c1)c1sccc1-c1nnn[n-]1 ZINC000738220334 598531929 /nfs/dbraw/zinc/53/19/29/598531929.db2.gz FVYBPEYISGHRSN-UHFFFAOYSA-N -1 3 380.429 3.707 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000735662191 598532366 /nfs/dbraw/zinc/53/23/66/598532366.db2.gz SIXHKUFMYLUWDY-UHFFFAOYSA-N -1 3 394.479 3.997 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000735662191 598532367 /nfs/dbraw/zinc/53/23/67/598532367.db2.gz SIXHKUFMYLUWDY-UHFFFAOYSA-N -1 3 394.479 3.997 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736349928 598534201 /nfs/dbraw/zinc/53/42/01/598534201.db2.gz JLJVJVKZDGUGPE-HXUWFJFHSA-N -1 3 392.507 3.808 20 0 GHADHM CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736349928 598534203 /nfs/dbraw/zinc/53/42/03/598534203.db2.gz JLJVJVKZDGUGPE-HXUWFJFHSA-N -1 3 392.507 3.808 20 0 GHADHM CC(C)(C)NC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735624236 598536599 /nfs/dbraw/zinc/53/65/99/598536599.db2.gz ZPLWGADFFXXENI-UHFFFAOYSA-N -1 3 382.493 3.531 20 0 GHADHM CC(C)(C)NC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735624236 598536600 /nfs/dbraw/zinc/53/66/00/598536600.db2.gz ZPLWGADFFXXENI-UHFFFAOYSA-N -1 3 382.493 3.531 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736169845 598537706 /nfs/dbraw/zinc/53/77/06/598537706.db2.gz PWCWDNBHUUDHDO-GTNSWQLSSA-N -1 3 384.823 3.518 20 0 GHADHM CCC1CCC(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000736396233 598539325 /nfs/dbraw/zinc/53/93/25/598539325.db2.gz MUOATKLBSWNSSU-UHFFFAOYSA-N -1 3 395.463 3.737 20 0 GHADHM CCCN(CC(C)C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736471756 598540687 /nfs/dbraw/zinc/54/06/87/598540687.db2.gz VWRRVWZRSGIRKQ-UHFFFAOYSA-N -1 3 383.452 3.547 20 0 GHADHM C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000736105429 598541875 /nfs/dbraw/zinc/54/18/75/598541875.db2.gz OUGWUWHTMVVDQW-OAHLLOKOSA-N -1 3 395.532 3.582 20 0 GHADHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736105429 598541876 /nfs/dbraw/zinc/54/18/76/598541876.db2.gz OUGWUWHTMVVDQW-OAHLLOKOSA-N -1 3 395.532 3.582 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1(C)C ZINC000735680060 598544603 /nfs/dbraw/zinc/54/46/03/598544603.db2.gz QXTLNCAKJQRQSQ-SMDDNHRTSA-N -1 3 377.395 3.645 20 0 GHADHM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1(C)C ZINC000735680060 598544605 /nfs/dbraw/zinc/54/46/05/598544605.db2.gz QXTLNCAKJQRQSQ-SMDDNHRTSA-N -1 3 377.395 3.645 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc2c(c1)COC2 ZINC000738174462 598554017 /nfs/dbraw/zinc/55/40/17/598554017.db2.gz ZMPQPOQCTMMSNY-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc2c(c1)COC2 ZINC000738174462 598554019 /nfs/dbraw/zinc/55/40/19/598554019.db2.gz ZMPQPOQCTMMSNY-UHFFFAOYSA-N -1 3 399.410 3.942 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736422940 598560364 /nfs/dbraw/zinc/56/03/64/598560364.db2.gz LCRSNEHRBJPCFO-GJZGRUSLSA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736422940 598560366 /nfs/dbraw/zinc/56/03/66/598560366.db2.gz LCRSNEHRBJPCFO-GJZGRUSLSA-N -1 3 394.479 3.764 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736263616 598565252 /nfs/dbraw/zinc/56/52/52/598565252.db2.gz RLWAXRWAPAMGNV-SCLBCKFNSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736263616 598565254 /nfs/dbraw/zinc/56/52/54/598565254.db2.gz RLWAXRWAPAMGNV-SCLBCKFNSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000736264257 598565358 /nfs/dbraw/zinc/56/53/58/598565358.db2.gz CQUSJIURZFFHID-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000736264257 598565359 /nfs/dbraw/zinc/56/53/59/598565359.db2.gz CQUSJIURZFFHID-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM Cc1ccc(-n2ccnc2SCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737302981 598567769 /nfs/dbraw/zinc/56/77/69/598567769.db2.gz FTCYYRUAWYQLTH-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM Cc1ccc(-n2ccnc2SCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737302981 598567770 /nfs/dbraw/zinc/56/77/70/598567770.db2.gz FTCYYRUAWYQLTH-UHFFFAOYSA-N -1 3 390.472 3.644 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735874615 598568006 /nfs/dbraw/zinc/56/80/06/598568006.db2.gz KFUBXDVPXUHPIH-IRXDYDNUSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735874615 598568008 /nfs/dbraw/zinc/56/80/08/598568008.db2.gz KFUBXDVPXUHPIH-IRXDYDNUSA-N -1 3 397.429 3.686 20 0 GHADHM O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738176004 598571116 /nfs/dbraw/zinc/57/11/16/598571116.db2.gz UGVVUYGHIOQCAQ-FQEVSTJZSA-N -1 3 384.443 3.627 20 0 GHADHM FC(F)(F)c1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737632751 598575777 /nfs/dbraw/zinc/57/57/77/598575777.db2.gz MTDAWKUJKRRTMH-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737632751 598575778 /nfs/dbraw/zinc/57/57/78/598575778.db2.gz MTDAWKUJKRRTMH-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736791960 598578510 /nfs/dbraw/zinc/57/85/10/598578510.db2.gz PEDIJYCYQYVQFE-KRWDZBQOSA-N -1 3 389.381 3.636 20 0 GHADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736791960 598578511 /nfs/dbraw/zinc/57/85/11/598578511.db2.gz PEDIJYCYQYVQFE-KRWDZBQOSA-N -1 3 389.381 3.636 20 0 GHADHM CCCN(Cc1ncc(-c2cccs2)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736480203 598580182 /nfs/dbraw/zinc/58/01/82/598580182.db2.gz LROSHVOIWKBKHO-UHFFFAOYSA-N -1 3 380.477 3.995 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736193914 598587359 /nfs/dbraw/zinc/58/73/59/598587359.db2.gz UQPWMCFTMWRCSR-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736193914 598587361 /nfs/dbraw/zinc/58/73/61/598587361.db2.gz UQPWMCFTMWRCSR-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737463472 598588957 /nfs/dbraw/zinc/58/89/57/598588957.db2.gz UBVBDLBFOOVMFX-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737463472 598588959 /nfs/dbraw/zinc/58/89/59/598588959.db2.gz UBVBDLBFOOVMFX-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CCO2 ZINC000737664975 598592797 /nfs/dbraw/zinc/59/27/97/598592797.db2.gz GYCALLKPPFOQKM-CQSZACIVSA-N -1 3 379.317 3.960 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)CCO2 ZINC000737664975 598592799 /nfs/dbraw/zinc/59/27/99/598592799.db2.gz GYCALLKPPFOQKM-CQSZACIVSA-N -1 3 379.317 3.960 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(=O)oc2cc(CC)ccc12 ZINC000736634567 598593392 /nfs/dbraw/zinc/59/33/92/598593392.db2.gz LTNSWHUVKCKZGU-UHFFFAOYSA-N -1 3 391.431 3.546 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)oc2cc(CC)ccc12 ZINC000736634567 598593393 /nfs/dbraw/zinc/59/33/93/598593393.db2.gz LTNSWHUVKCKZGU-UHFFFAOYSA-N -1 3 391.431 3.546 20 0 GHADHM CCN(C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC000736505914 598602915 /nfs/dbraw/zinc/60/29/15/598602915.db2.gz URLDMQDOKYWFDY-UHFFFAOYSA-N -1 3 390.422 3.624 20 0 GHADHM CCN(C(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC000736505914 598602916 /nfs/dbraw/zinc/60/29/16/598602916.db2.gz URLDMQDOKYWFDY-UHFFFAOYSA-N -1 3 390.422 3.624 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H](c1cncc(F)c1)C1CCCCC1 ZINC000737956473 598607693 /nfs/dbraw/zinc/60/76/93/598607693.db2.gz ZVHGDYATYXKXMK-FQEVSTJZSA-N -1 3 395.438 3.808 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H](c1cncc(F)c1)C1CCCCC1 ZINC000737956473 598607694 /nfs/dbraw/zinc/60/76/94/598607694.db2.gz ZVHGDYATYXKXMK-FQEVSTJZSA-N -1 3 395.438 3.808 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc1F ZINC000737651164 598610114 /nfs/dbraw/zinc/61/01/14/598610114.db2.gz QFRMBLWDWIOVNT-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Fc1ccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1F ZINC000737651164 598610116 /nfs/dbraw/zinc/61/01/16/598610116.db2.gz QFRMBLWDWIOVNT-UHFFFAOYSA-N -1 3 386.387 3.628 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)cc1 ZINC000737334674 598627916 /nfs/dbraw/zinc/62/79/16/598627916.db2.gz LFUBJDDEZWDCNB-INIZCTEOSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)cc1 ZINC000737334674 598627917 /nfs/dbraw/zinc/62/79/17/598627917.db2.gz LFUBJDDEZWDCNB-INIZCTEOSA-N -1 3 394.454 3.801 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735915566 598628739 /nfs/dbraw/zinc/62/87/39/598628739.db2.gz PRNWZKORZAOEIV-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735915566 598628742 /nfs/dbraw/zinc/62/87/42/598628742.db2.gz PRNWZKORZAOEIV-GFCCVEGCSA-N -1 3 384.415 3.676 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736815844 598629421 /nfs/dbraw/zinc/62/94/21/598629421.db2.gz ZMTSQPSIINQTAE-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736815844 598629422 /nfs/dbraw/zinc/62/94/22/598629422.db2.gz ZMTSQPSIINQTAE-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccccc1)CC1CCC1 ZINC000738164385 598634671 /nfs/dbraw/zinc/63/46/71/598634671.db2.gz YRBLWAGHUTXBMJ-UHFFFAOYSA-N -1 3 380.427 3.840 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC1CCC1 ZINC000738164385 598634673 /nfs/dbraw/zinc/63/46/73/598634673.db2.gz YRBLWAGHUTXBMJ-UHFFFAOYSA-N -1 3 380.427 3.840 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000736714627 598642957 /nfs/dbraw/zinc/64/29/57/598642957.db2.gz SXPJZPIEFNVEDK-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000736714627 598642959 /nfs/dbraw/zinc/64/29/59/598642959.db2.gz SXPJZPIEFNVEDK-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c(F)c1 ZINC000737359400 598644713 /nfs/dbraw/zinc/64/47/13/598644713.db2.gz DQSROHHDCRZQAA-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c(F)c1 ZINC000737359400 598644714 /nfs/dbraw/zinc/64/47/14/598644714.db2.gz DQSROHHDCRZQAA-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(OCc1ccccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738235325 598645491 /nfs/dbraw/zinc/64/54/91/598645491.db2.gz QXFUQQUYLCUMAC-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738235325 598645493 /nfs/dbraw/zinc/64/54/93/598645493.db2.gz QXFUQQUYLCUMAC-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1SC(F)F ZINC000737946345 598649537 /nfs/dbraw/zinc/64/95/37/598649537.db2.gz BNOPESCGPAIMFE-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1SC(F)F ZINC000737946345 598649539 /nfs/dbraw/zinc/64/95/39/598649539.db2.gz BNOPESCGPAIMFE-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc2ncccc2c1 ZINC000737832816 598653802 /nfs/dbraw/zinc/65/38/02/598653802.db2.gz MOHGPYVXQDKPOG-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc2ncccc2c1 ZINC000737832816 598653803 /nfs/dbraw/zinc/65/38/03/598653803.db2.gz MOHGPYVXQDKPOG-UHFFFAOYSA-N -1 3 388.431 3.603 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC)Sc1ccccc1 ZINC000736634810 598654729 /nfs/dbraw/zinc/65/47/29/598654729.db2.gz JHGBXRAHAZBRAV-QGZVFWFLSA-N -1 3 383.477 3.775 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC)Sc1ccccc1 ZINC000736634810 598654730 /nfs/dbraw/zinc/65/47/30/598654730.db2.gz JHGBXRAHAZBRAV-QGZVFWFLSA-N -1 3 383.477 3.775 20 0 GHADHM O=C(NCc1ccc(Cl)o1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738103605 598665641 /nfs/dbraw/zinc/66/56/41/598665641.db2.gz MGMRCJDZFZDPCO-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NCc1ccc(Cl)o1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738103605 598665644 /nfs/dbraw/zinc/66/56/44/598665644.db2.gz MGMRCJDZFZDPCO-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NC[C@H]1CCc2ccccc21)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738052252 598668653 /nfs/dbraw/zinc/66/86/53/598668653.db2.gz SHYQRMKRSMNCJR-QGZVFWFLSA-N -1 3 395.466 3.994 20 0 GHADHM O=C(NC[C@H]1CCc2ccccc21)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738052252 598668655 /nfs/dbraw/zinc/66/86/55/598668655.db2.gz SHYQRMKRSMNCJR-QGZVFWFLSA-N -1 3 395.466 3.994 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736393447 598712313 /nfs/dbraw/zinc/71/23/13/598712313.db2.gz YUIOFBCCPRKLGQ-LJQANCHMSA-N -1 3 399.520 3.665 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736393447 598712315 /nfs/dbraw/zinc/71/23/15/598712315.db2.gz YUIOFBCCPRKLGQ-LJQANCHMSA-N -1 3 399.520 3.665 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000736154743 598713241 /nfs/dbraw/zinc/71/32/41/598713241.db2.gz BIZCFUOSYRKOOF-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736154743 598713243 /nfs/dbraw/zinc/71/32/43/598713243.db2.gz BIZCFUOSYRKOOF-SNVBAGLBSA-N -1 3 376.388 3.541 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000736480145 598717026 /nfs/dbraw/zinc/71/70/26/598717026.db2.gz KXEKLLLRVFLAAV-QRWLVFNGSA-N -1 3 390.491 3.722 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000736480145 598717028 /nfs/dbraw/zinc/71/70/28/598717028.db2.gz KXEKLLLRVFLAAV-QRWLVFNGSA-N -1 3 390.491 3.722 20 0 GHADHM COc1cccc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)c1 ZINC000737131243 598718078 /nfs/dbraw/zinc/71/80/78/598718078.db2.gz AJXAZELMBXGYJL-UHFFFAOYSA-N -1 3 385.431 3.597 20 0 GHADHM COc1cccc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)c1 ZINC000737131243 598718079 /nfs/dbraw/zinc/71/80/79/598718079.db2.gz AJXAZELMBXGYJL-UHFFFAOYSA-N -1 3 385.431 3.597 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000736638043 598724311 /nfs/dbraw/zinc/72/43/11/598724311.db2.gz XGGXDSJTTUCCAT-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000736638043 598724312 /nfs/dbraw/zinc/72/43/12/598724312.db2.gz XGGXDSJTTUCCAT-UHFFFAOYSA-N -1 3 392.463 3.504 20 0 GHADHM c1sc(-c2ccccn2)nc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738422634 598728135 /nfs/dbraw/zinc/72/81/35/598728135.db2.gz KBDHCVGFMDFSLZ-UHFFFAOYSA-N -1 3 389.488 3.550 20 0 GHADHM c1sc(-c2ccccn2)nc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738422634 598728137 /nfs/dbraw/zinc/72/81/37/598728137.db2.gz KBDHCVGFMDFSLZ-UHFFFAOYSA-N -1 3 389.488 3.550 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000738163771 598731800 /nfs/dbraw/zinc/73/18/00/598731800.db2.gz UQRVBWXWAUDGLU-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000738163771 598731801 /nfs/dbraw/zinc/73/18/01/598731801.db2.gz UQRVBWXWAUDGLU-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736277618 598741583 /nfs/dbraw/zinc/74/15/83/598741583.db2.gz AMOFHWWIANRPJM-QWHCGFSZSA-N -1 3 381.505 3.870 20 0 GHADHM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000736277618 598741585 /nfs/dbraw/zinc/74/15/85/598741585.db2.gz AMOFHWWIANRPJM-QWHCGFSZSA-N -1 3 381.505 3.870 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736535070 598760367 /nfs/dbraw/zinc/76/03/67/598760367.db2.gz QJCXYLSBHTVIAF-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736535070 598760369 /nfs/dbraw/zinc/76/03/69/598760369.db2.gz QJCXYLSBHTVIAF-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)o1 ZINC000737192602 598763583 /nfs/dbraw/zinc/76/35/83/598763583.db2.gz KOLFCJFWQPEBHC-MRVPVSSYSA-N -1 3 375.479 3.620 20 0 GHADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)o1 ZINC000737192602 598763585 /nfs/dbraw/zinc/76/35/85/598763585.db2.gz KOLFCJFWQPEBHC-MRVPVSSYSA-N -1 3 375.479 3.620 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735921005 598771936 /nfs/dbraw/zinc/77/19/36/598771936.db2.gz FBIMSFNGVHELNX-AWEZNQCLSA-N -1 3 396.520 3.928 20 0 GHADHM CC(C)Sc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735921005 598771938 /nfs/dbraw/zinc/77/19/38/598771938.db2.gz FBIMSFNGVHELNX-AWEZNQCLSA-N -1 3 396.520 3.928 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000735850786 598781391 /nfs/dbraw/zinc/78/13/91/598781391.db2.gz IJGVQAFQBNOEDT-UHFFFAOYSA-N -1 3 389.463 3.799 20 0 GHADHM CC(C)Cn1ccc2cc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000735850786 598781392 /nfs/dbraw/zinc/78/13/92/598781392.db2.gz IJGVQAFQBNOEDT-UHFFFAOYSA-N -1 3 389.463 3.799 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000736637175 598782959 /nfs/dbraw/zinc/78/29/59/598782959.db2.gz PQNLPJPDGRLSSZ-IBGZPJMESA-N -1 3 392.463 3.847 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000736637175 598782961 /nfs/dbraw/zinc/78/29/61/598782961.db2.gz PQNLPJPDGRLSSZ-IBGZPJMESA-N -1 3 392.463 3.847 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112808 598799529 /nfs/dbraw/zinc/79/95/29/598799529.db2.gz VCFWBXXIKCKHJO-HNAYVOBHSA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112808 598799530 /nfs/dbraw/zinc/79/95/30/598799530.db2.gz VCFWBXXIKCKHJO-HNAYVOBHSA-N -1 3 378.480 3.966 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@@H]1CSc2ccccc21 ZINC000738212693 599292837 /nfs/dbraw/zinc/29/28/37/599292837.db2.gz YQZFMFTYAMFUHW-GFCCVEGCSA-N -1 3 383.502 3.635 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@@H]1CSc2ccccc21 ZINC000738212693 599292838 /nfs/dbraw/zinc/29/28/38/599292838.db2.gz YQZFMFTYAMFUHW-GFCCVEGCSA-N -1 3 383.502 3.635 20 0 GHADHM CCCCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000736463146 599311051 /nfs/dbraw/zinc/31/10/51/599311051.db2.gz LWKRJFILZQCSHV-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CCCCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000736463146 599311053 /nfs/dbraw/zinc/31/10/53/599311053.db2.gz LWKRJFILZQCSHV-UHFFFAOYSA-N -1 3 395.463 3.721 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000821099419 599313805 /nfs/dbraw/zinc/31/38/05/599313805.db2.gz GYAIKLRTPDOSRX-OFNKIYASSA-N -1 3 387.487 3.509 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000821099419 599313809 /nfs/dbraw/zinc/31/38/09/599313809.db2.gz GYAIKLRTPDOSRX-OFNKIYASSA-N -1 3 387.487 3.509 20 0 GHADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197609 599313853 /nfs/dbraw/zinc/31/38/53/599313853.db2.gz BBWXTVYRCJONDI-KPZWWZAWSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000736197609 599313857 /nfs/dbraw/zinc/31/38/57/599313857.db2.gz BBWXTVYRCJONDI-KPZWWZAWSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)O1 ZINC000820690647 599320552 /nfs/dbraw/zinc/32/05/52/599320552.db2.gz PPWDHVIVSPGIID-PBHICJAKSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)O1 ZINC000820690647 599320555 /nfs/dbraw/zinc/32/05/55/599320555.db2.gz PPWDHVIVSPGIID-PBHICJAKSA-N -1 3 393.447 3.945 20 0 GHADHM CCCCc1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000736467095 599330477 /nfs/dbraw/zinc/33/04/77/599330477.db2.gz UPXPTRVNLSKPTH-UHFFFAOYSA-N -1 3 391.435 3.997 20 0 GHADHM Fc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1OC1CCCC1 ZINC000737651538 599331322 /nfs/dbraw/zinc/33/13/22/599331322.db2.gz LDIGOHWGUBJYIP-UHFFFAOYSA-N -1 3 383.427 3.818 20 0 GHADHM Fc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000737651538 599331324 /nfs/dbraw/zinc/33/13/24/599331324.db2.gz LDIGOHWGUBJYIP-UHFFFAOYSA-N -1 3 383.427 3.818 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@@H](C)c2cccc(-c4nnn[n-]4)c2)n1)CCC3 ZINC000822453249 599356056 /nfs/dbraw/zinc/35/60/56/599356056.db2.gz GAVVWQPXALNJCZ-JTQLQIEISA-N -1 3 377.477 3.842 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@@H](C)c2cccc(-c4nn[n-]n4)c2)n1)CCC3 ZINC000822453249 599356058 /nfs/dbraw/zinc/35/60/58/599356058.db2.gz GAVVWQPXALNJCZ-JTQLQIEISA-N -1 3 377.477 3.842 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(Cl)c(OC)c(Cl)c1 ZINC000821732467 607371013 /nfs/dbraw/zinc/37/10/13/607371013.db2.gz OBLNWBLBMSRBPM-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(Cl)c(OC)c(Cl)c1 ZINC000821732467 607371014 /nfs/dbraw/zinc/37/10/14/607371014.db2.gz OBLNWBLBMSRBPM-UHFFFAOYSA-N -1 3 380.235 3.803 20 0 GHADHM CCc1nnc([C@H](C)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000821517167 599371465 /nfs/dbraw/zinc/37/14/65/599371465.db2.gz GSLFXWNHEGHNCR-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461626 599372955 /nfs/dbraw/zinc/37/29/55/599372955.db2.gz OBOATMLYHPVVGN-OAHLLOKOSA-N -1 3 376.464 3.552 20 0 GHADHM C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461626 599372956 /nfs/dbraw/zinc/37/29/56/599372956.db2.gz OBOATMLYHPVVGN-OAHLLOKOSA-N -1 3 376.464 3.552 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C)c1cccc(C)c1 ZINC000737034364 599377002 /nfs/dbraw/zinc/37/70/02/599377002.db2.gz ZKGLUDNKIIIKEA-HNNXBMFYSA-N -1 3 396.447 3.647 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H](C)c1cccc(C)c1 ZINC000737034364 599377005 /nfs/dbraw/zinc/37/70/05/599377005.db2.gz ZKGLUDNKIIIKEA-HNNXBMFYSA-N -1 3 396.447 3.647 20 0 GHADHM CSCC[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737177109 599382218 /nfs/dbraw/zinc/38/22/18/599382218.db2.gz RHXWMYMXIOFBOC-AWEZNQCLSA-N -1 3 397.504 3.873 20 0 GHADHM CSCC[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737177109 599382221 /nfs/dbraw/zinc/38/22/21/599382221.db2.gz RHXWMYMXIOFBOC-AWEZNQCLSA-N -1 3 397.504 3.873 20 0 GHADHM CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820877016 599386787 /nfs/dbraw/zinc/38/67/87/599386787.db2.gz YEWXOIJLZDUPKT-CHWSQXEVSA-N -1 3 398.442 3.513 20 0 GHADHM CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820877016 599386791 /nfs/dbraw/zinc/38/67/91/599386791.db2.gz YEWXOIJLZDUPKT-CHWSQXEVSA-N -1 3 398.442 3.513 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415126 607372142 /nfs/dbraw/zinc/37/21/42/607372142.db2.gz SEZGCQGXLDQWRI-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415126 607372144 /nfs/dbraw/zinc/37/21/44/607372144.db2.gz SEZGCQGXLDQWRI-PMACEKPBSA-N -1 3 398.422 3.550 20 0 GHADHM Cc1ccc(-c2nnc(CNc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000822214150 607373557 /nfs/dbraw/zinc/37/35/57/607373557.db2.gz RHNXFOATFAFARU-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM Cc1ccc(-c2nnc(CNc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000822214150 607373559 /nfs/dbraw/zinc/37/35/59/607373559.db2.gz RHNXFOATFAFARU-UHFFFAOYSA-N -1 3 391.435 3.624 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000735887558 599408510 /nfs/dbraw/zinc/40/85/10/599408510.db2.gz CNLGWYFWTYRJEC-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM CC(C)NC(=O)Nc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000735887558 599408512 /nfs/dbraw/zinc/40/85/12/599408512.db2.gz CNLGWYFWTYRJEC-UHFFFAOYSA-N -1 3 385.859 3.662 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212936 599420427 /nfs/dbraw/zinc/42/04/27/599420427.db2.gz NLHGOJLDHFNIRT-SUMWQHHRSA-N -1 3 394.479 3.842 20 0 GHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212936 599420429 /nfs/dbraw/zinc/42/04/29/599420429.db2.gz NLHGOJLDHFNIRT-SUMWQHHRSA-N -1 3 394.479 3.842 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350463 599422336 /nfs/dbraw/zinc/42/23/36/599422336.db2.gz LDTUFBFQVAKSLI-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350463 599422339 /nfs/dbraw/zinc/42/23/39/599422339.db2.gz LDTUFBFQVAKSLI-GHMZBOCLSA-N -1 3 388.834 3.781 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ncc(-c2ccc(F)cc2)o1 ZINC000821751854 607377425 /nfs/dbraw/zinc/37/74/25/607377425.db2.gz CWNNKDWIFNGCAZ-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000820348974 599441517 /nfs/dbraw/zinc/44/15/17/599441517.db2.gz GXHOLYNDIOPXNS-VXGBXAGGSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000820348974 599441520 /nfs/dbraw/zinc/44/15/20/599441520.db2.gz GXHOLYNDIOPXNS-VXGBXAGGSA-N -1 3 393.476 3.598 20 0 GHADHM Fc1ccc(NCc2ccc(COCC(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000822783011 599468208 /nfs/dbraw/zinc/46/82/08/599468208.db2.gz PVKXDWKBNWAVEN-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM Fc1ccc(NCc2ccc(COCC(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000822783011 599468210 /nfs/dbraw/zinc/46/82/10/599468210.db2.gz PVKXDWKBNWAVEN-UHFFFAOYSA-N -1 3 381.333 3.697 20 0 GHADHM COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821777640 599474754 /nfs/dbraw/zinc/47/47/54/599474754.db2.gz KFANVGXMSHJKFO-KUHUBIRLSA-N -1 3 394.479 3.633 20 0 GHADHM COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000821777640 599474755 /nfs/dbraw/zinc/47/47/55/599474755.db2.gz KFANVGXMSHJKFO-KUHUBIRLSA-N -1 3 394.479 3.633 20 0 GHADHM CCOc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821393836 599482872 /nfs/dbraw/zinc/48/28/72/599482872.db2.gz CUFHEALQWNKKQF-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CCOc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821393836 599482873 /nfs/dbraw/zinc/48/28/73/599482873.db2.gz CUFHEALQWNKKQF-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321162 599498620 /nfs/dbraw/zinc/49/86/20/599498620.db2.gz BUUJRYYTXOWRCY-ZDUSSCGKSA-N -1 3 385.855 3.557 20 0 GHADHM C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321162 599498622 /nfs/dbraw/zinc/49/86/22/599498622.db2.gz BUUJRYYTXOWRCY-ZDUSSCGKSA-N -1 3 385.855 3.557 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737176653 599504629 /nfs/dbraw/zinc/50/46/29/599504629.db2.gz OZSFHPIBIAKDLL-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM CSC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737176653 599504631 /nfs/dbraw/zinc/50/46/31/599504631.db2.gz OZSFHPIBIAKDLL-GFCCVEGCSA-N -1 3 384.465 3.532 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335359 599511683 /nfs/dbraw/zinc/51/16/83/599511683.db2.gz WVZNORPSQQSNSK-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335359 599511685 /nfs/dbraw/zinc/51/16/85/599511685.db2.gz WVZNORPSQQSNSK-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000822167927 599517820 /nfs/dbraw/zinc/51/78/20/599517820.db2.gz KBIBNFVGZHYJKN-GFCCVEGCSA-N -1 3 387.390 3.576 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000822167927 599517822 /nfs/dbraw/zinc/51/78/22/599517822.db2.gz KBIBNFVGZHYJKN-GFCCVEGCSA-N -1 3 387.390 3.576 20 0 GHADHM CCc1noc(-c2ccc(CCNc3c(Cl)cccc3-c3nnn[n-]3)cc2)n1 ZINC000821553418 599520624 /nfs/dbraw/zinc/52/06/24/599520624.db2.gz HCOQXXGBXRGBRV-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM CCc1noc(-c2ccc(CCNc3c(Cl)cccc3-c3nn[n-]n3)cc2)n1 ZINC000821553418 599520625 /nfs/dbraw/zinc/52/06/25/599520625.db2.gz HCOQXXGBXRGBRV-UHFFFAOYSA-N -1 3 395.854 3.787 20 0 GHADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1OC ZINC000737132897 599521176 /nfs/dbraw/zinc/52/11/76/599521176.db2.gz URGVYJAOORPYPN-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736789623 599522844 /nfs/dbraw/zinc/52/28/44/599522844.db2.gz AKELIFDHIVQWQH-KRWDZBQOSA-N -1 3 389.381 3.636 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313684 599524997 /nfs/dbraw/zinc/52/49/97/599524997.db2.gz FPDYHNSNAKJWOE-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820313684 599524999 /nfs/dbraw/zinc/52/49/99/599524999.db2.gz FPDYHNSNAKJWOE-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000738266720 599533496 /nfs/dbraw/zinc/53/34/96/599533496.db2.gz JWRKLSWGALNKJM-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000738266720 599533499 /nfs/dbraw/zinc/53/34/99/599533499.db2.gz JWRKLSWGALNKJM-CYBMUJFWSA-N -1 3 385.830 3.759 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820391434 599534027 /nfs/dbraw/zinc/53/40/27/599534027.db2.gz PVNOOOCAGPREBC-MRVPVSSYSA-N -1 3 380.210 3.804 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820391434 599534030 /nfs/dbraw/zinc/53/40/30/599534030.db2.gz PVNOOOCAGPREBC-MRVPVSSYSA-N -1 3 380.210 3.804 20 0 GHADHM CC(C)c1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192724 599540963 /nfs/dbraw/zinc/54/09/63/599540963.db2.gz WOOJFGVIBXGTQK-CQSZACIVSA-N -1 3 381.505 3.960 20 0 GHADHM CC(C)c1ccc(SCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192724 599540965 /nfs/dbraw/zinc/54/09/65/599540965.db2.gz WOOJFGVIBXGTQK-CQSZACIVSA-N -1 3 381.505 3.960 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000823696167 599545544 /nfs/dbraw/zinc/54/55/44/599545544.db2.gz ABZYBKLTMJTPQO-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM O[C@H](c1ccc(F)cc1)C1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000823696167 599545546 /nfs/dbraw/zinc/54/55/46/599545546.db2.gz ABZYBKLTMJTPQO-GOSISDBHSA-N -1 3 387.846 3.609 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820684557 599547698 /nfs/dbraw/zinc/54/76/98/599547698.db2.gz RFECPNFCOTYFCG-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820684557 599547700 /nfs/dbraw/zinc/54/77/00/599547700.db2.gz RFECPNFCOTYFCG-JKSUJKDBSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737422025 599548744 /nfs/dbraw/zinc/54/87/44/599548744.db2.gz OYEOGAOATDEBFF-NVXWUHKLSA-N -1 3 393.516 3.672 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737422025 599548746 /nfs/dbraw/zinc/54/87/46/599548746.db2.gz OYEOGAOATDEBFF-NVXWUHKLSA-N -1 3 393.516 3.672 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820684208 599557198 /nfs/dbraw/zinc/55/71/98/599557198.db2.gz NFMUUAFXYRMLSP-STQMWFEESA-N -1 3 397.508 3.566 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820684208 599557199 /nfs/dbraw/zinc/55/71/99/599557199.db2.gz NFMUUAFXYRMLSP-STQMWFEESA-N -1 3 397.508 3.566 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820937771 599557664 /nfs/dbraw/zinc/55/76/64/599557664.db2.gz CSIAUJDYIBDBEQ-RBOXIYTFSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820937771 599557666 /nfs/dbraw/zinc/55/76/66/599557666.db2.gz CSIAUJDYIBDBEQ-RBOXIYTFSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820937766 599557888 /nfs/dbraw/zinc/55/78/88/599557888.db2.gz CSIAUJDYIBDBEQ-GHJWDPDVSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820937766 599557889 /nfs/dbraw/zinc/55/78/89/599557889.db2.gz CSIAUJDYIBDBEQ-GHJWDPDVSA-N -1 3 377.876 3.833 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737331878 599561382 /nfs/dbraw/zinc/56/13/82/599561382.db2.gz SPWXXZPJHYVSTR-GOSISDBHSA-N -1 3 379.464 3.845 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737331878 599561384 /nfs/dbraw/zinc/56/13/84/599561384.db2.gz SPWXXZPJHYVSTR-GOSISDBHSA-N -1 3 379.464 3.845 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735858787 599563894 /nfs/dbraw/zinc/56/38/94/599563894.db2.gz DZSVIUGTISBVGM-UHFFFAOYSA-N -1 3 376.464 3.871 20 0 GHADHM C[C@H]1SCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)[C@@H]1C ZINC000736302064 599569140 /nfs/dbraw/zinc/56/91/40/599569140.db2.gz PSKLECOJFMZNKL-ZIAGYGMSSA-N -1 3 394.504 3.576 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000822744456 607384518 /nfs/dbraw/zinc/38/45/18/607384518.db2.gz UKECPRSEPSEESJ-JTQLQIEISA-N -1 3 398.389 3.865 20 0 GHADHM COCCCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736978177 599607229 /nfs/dbraw/zinc/60/72/29/599607229.db2.gz GZVZRFFVCBXGMB-UHFFFAOYSA-N -1 3 381.436 3.584 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000737061443 599610317 /nfs/dbraw/zinc/61/03/17/599610317.db2.gz CNHCNORCBLNLEE-UHFFFAOYSA-N -1 3 386.843 3.586 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000737061443 599610319 /nfs/dbraw/zinc/61/03/19/599610319.db2.gz CNHCNORCBLNLEE-UHFFFAOYSA-N -1 3 386.843 3.586 20 0 GHADHM Cc1csc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822414847 599627291 /nfs/dbraw/zinc/62/72/91/599627291.db2.gz WZROHDOTHHUMGY-UHFFFAOYSA-N -1 3 392.444 3.732 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC000819907968 599629253 /nfs/dbraw/zinc/62/92/53/599629253.db2.gz VBCZWDVKHQUMOH-JQWIXIFHSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC000819907968 599629254 /nfs/dbraw/zinc/62/92/54/599629254.db2.gz VBCZWDVKHQUMOH-JQWIXIFHSA-N -1 3 391.566 3.913 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821388904 599629276 /nfs/dbraw/zinc/62/92/76/599629276.db2.gz ABXVHPWLRBSZHS-ZDUSSCGKSA-N -1 3 383.427 3.628 20 0 GHADHM CCOc1c(F)cccc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821388904 599629277 /nfs/dbraw/zinc/62/92/77/599629277.db2.gz ABXVHPWLRBSZHS-ZDUSSCGKSA-N -1 3 383.427 3.628 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000821389188 599629698 /nfs/dbraw/zinc/62/96/98/599629698.db2.gz IFUKVZBHIYSNHG-KBMXLJTQSA-N -1 3 388.468 3.545 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000821389188 599629699 /nfs/dbraw/zinc/62/96/99/599629699.db2.gz IFUKVZBHIYSNHG-KBMXLJTQSA-N -1 3 388.468 3.545 20 0 GHADHM CC(C)n1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)n1 ZINC000820214414 599630096 /nfs/dbraw/zinc/63/00/96/599630096.db2.gz AIKMJMJQCCPJPS-UHFFFAOYSA-N -1 3 393.476 3.554 20 0 GHADHM CC(C)n1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)n1 ZINC000820214414 599630097 /nfs/dbraw/zinc/63/00/97/599630097.db2.gz AIKMJMJQCCPJPS-UHFFFAOYSA-N -1 3 393.476 3.554 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2SCCc3sccc32)c1-c1nnn[n-]1 ZINC000821465291 599630505 /nfs/dbraw/zinc/63/05/05/599630505.db2.gz FBRRFGUCPXAHAV-CYBMUJFWSA-N -1 3 391.547 3.830 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2SCCc3sccc32)c1-c1nn[n-]n1 ZINC000821465291 599630506 /nfs/dbraw/zinc/63/05/06/599630506.db2.gz FBRRFGUCPXAHAV-CYBMUJFWSA-N -1 3 391.547 3.830 20 0 GHADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821825244 599632865 /nfs/dbraw/zinc/63/28/65/599632865.db2.gz VDCHHJBCSCAKIC-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821825244 599632866 /nfs/dbraw/zinc/63/28/66/599632866.db2.gz VDCHHJBCSCAKIC-UHFFFAOYSA-N -1 3 397.744 3.800 20 0 GHADHM COc1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000821839298 599634543 /nfs/dbraw/zinc/63/45/43/599634543.db2.gz TXGXMQOZRLBWCB-UHFFFAOYSA-N -1 3 392.440 3.726 20 0 GHADHM COc1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000821839298 599634544 /nfs/dbraw/zinc/63/45/44/599634544.db2.gz TXGXMQOZRLBWCB-UHFFFAOYSA-N -1 3 392.440 3.726 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820913842 599668152 /nfs/dbraw/zinc/66/81/52/599668152.db2.gz KONRICDNMFWINZ-FQEVSTJZSA-N -1 3 392.507 3.728 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820913842 599668153 /nfs/dbraw/zinc/66/81/53/599668153.db2.gz KONRICDNMFWINZ-FQEVSTJZSA-N -1 3 392.507 3.728 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820716725 599670865 /nfs/dbraw/zinc/67/08/65/599670865.db2.gz KPUHSPXPFWDKIF-CKEIUWERSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820716725 599670866 /nfs/dbraw/zinc/67/08/66/599670866.db2.gz KPUHSPXPFWDKIF-CKEIUWERSA-N -1 3 380.452 3.704 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)c1ccccc1 ZINC000820921535 599673911 /nfs/dbraw/zinc/67/39/11/599673911.db2.gz ZEKPNQYKECIPTO-SFHVURJKSA-N -1 3 396.470 3.561 20 0 GHADHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)c1ccccc1 ZINC000820921535 599673912 /nfs/dbraw/zinc/67/39/12/599673912.db2.gz ZEKPNQYKECIPTO-SFHVURJKSA-N -1 3 396.470 3.561 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1=CCCCO1 ZINC000822211494 599697996 /nfs/dbraw/zinc/69/79/96/599697996.db2.gz BEICINPMMRADPR-UHFFFAOYSA-N -1 3 377.404 3.600 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1=CCCCO1 ZINC000822211494 599697997 /nfs/dbraw/zinc/69/79/97/599697997.db2.gz BEICINPMMRADPR-UHFFFAOYSA-N -1 3 377.404 3.600 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736722752 599717651 /nfs/dbraw/zinc/71/76/51/599717651.db2.gz DOGHLOVCTADQEP-BBRMVZONSA-N -1 3 386.427 3.873 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825074976 607392364 /nfs/dbraw/zinc/39/23/64/607392364.db2.gz MCTBXYOORIOSNF-CQSZACIVSA-N -1 3 392.463 3.855 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000825074976 607392366 /nfs/dbraw/zinc/39/23/66/607392366.db2.gz MCTBXYOORIOSNF-CQSZACIVSA-N -1 3 392.463 3.855 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1 ZINC000426797222 599790269 /nfs/dbraw/zinc/79/02/69/599790269.db2.gz AQKCVOFEGBZVHS-AWEZNQCLSA-N -1 3 386.192 3.966 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000820166650 607397332 /nfs/dbraw/zinc/39/73/32/607397332.db2.gz YXKBIJKEIVSSCI-UHFFFAOYSA-N -1 3 389.818 3.628 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1-c1nn[n-]n1 ZINC000820166650 607397334 /nfs/dbraw/zinc/39/73/34/607397334.db2.gz YXKBIJKEIVSSCI-UHFFFAOYSA-N -1 3 389.818 3.628 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000820187648 607403487 /nfs/dbraw/zinc/40/34/87/607403487.db2.gz KZQKADOYQVZFKX-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000820187648 607403489 /nfs/dbraw/zinc/40/34/89/607403489.db2.gz KZQKADOYQVZFKX-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM CCOC(=O)CCN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737137556 599888127 /nfs/dbraw/zinc/88/81/27/599888127.db2.gz DDNZBJRBIRYJNX-UHFFFAOYSA-N -1 3 392.455 3.985 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000826253686 607405266 /nfs/dbraw/zinc/40/52/66/607405266.db2.gz YXTOZYRVMVCIMJ-MRXNPFEDSA-N -1 3 390.365 3.955 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000826253686 607405267 /nfs/dbraw/zinc/40/52/67/607405267.db2.gz YXTOZYRVMVCIMJ-MRXNPFEDSA-N -1 3 390.365 3.955 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)c1ccnc(Cl)c1 ZINC000823444411 607406564 /nfs/dbraw/zinc/40/65/64/607406564.db2.gz MKBPKNFAWGDXIU-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccnc(Cl)c1 ZINC000823444411 607406566 /nfs/dbraw/zinc/40/65/66/607406566.db2.gz MKBPKNFAWGDXIU-UHFFFAOYSA-N -1 3 377.791 3.801 20 0 GHADHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1F ZINC000738008162 600079737 /nfs/dbraw/zinc/07/97/37/600079737.db2.gz HGKKDCNVJCMVSX-QGZVFWFLSA-N -1 3 382.229 3.686 20 0 GHADHM Cc1ccc(CCCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826287297 607419532 /nfs/dbraw/zinc/41/95/32/607419532.db2.gz JTXPASRAVMONPK-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM Cc1ccc(CCCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826287297 607419534 /nfs/dbraw/zinc/41/95/34/607419534.db2.gz JTXPASRAVMONPK-UHFFFAOYSA-N -1 3 375.476 3.693 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000820164154 607425270 /nfs/dbraw/zinc/42/52/70/607425270.db2.gz FPIAYUWARIUXPY-KEYYUXOJSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000820164154 607425272 /nfs/dbraw/zinc/42/52/72/607425272.db2.gz FPIAYUWARIUXPY-KEYYUXOJSA-N -1 3 384.484 3.839 20 0 GHADHM O=C([O-])c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000263449793 600169811 /nfs/dbraw/zinc/16/98/11/600169811.db2.gz RXWSLHMGTWJAGQ-UHFFFAOYSA-N -1 3 386.879 3.776 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824448965 607420996 /nfs/dbraw/zinc/42/09/96/607420996.db2.gz LHFPDNBESKESEL-OAHLLOKOSA-N -1 3 393.516 3.542 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824448965 607420998 /nfs/dbraw/zinc/42/09/98/607420998.db2.gz LHFPDNBESKESEL-OAHLLOKOSA-N -1 3 393.516 3.542 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000826166910 607430335 /nfs/dbraw/zinc/43/03/35/607430335.db2.gz HDBDFBWLXPZUIV-WDEREUQCSA-N -1 3 390.852 3.608 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000826166910 607430337 /nfs/dbraw/zinc/43/03/37/607430337.db2.gz HDBDFBWLXPZUIV-WDEREUQCSA-N -1 3 390.852 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000820165144 607432702 /nfs/dbraw/zinc/43/27/02/607432702.db2.gz NNAWTVZQCULWAQ-HNNXBMFYSA-N -1 3 394.479 3.921 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000820165144 607432704 /nfs/dbraw/zinc/43/27/04/607432704.db2.gz NNAWTVZQCULWAQ-HNNXBMFYSA-N -1 3 394.479 3.921 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736298042 600305554 /nfs/dbraw/zinc/30/55/54/600305554.db2.gz MQBDIOZSCWRCBU-WOJBJXKFSA-N -1 3 398.547 3.834 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736724390 600341232 /nfs/dbraw/zinc/34/12/32/600341232.db2.gz LERQDQKAHUFKHC-JXFKEZNVSA-N -1 3 396.491 3.753 20 0 GHADHM CN(C(=O)COc1ccc2oc3ccccc3c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820728 607438526 /nfs/dbraw/zinc/43/85/26/607438526.db2.gz QNDDZEZBKZPKAW-UHFFFAOYSA-N -1 3 399.410 3.808 20 0 GHADHM CN(C(=O)COc1ccc2oc3ccccc3c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820728 607438528 /nfs/dbraw/zinc/43/85/28/607438528.db2.gz QNDDZEZBKZPKAW-UHFFFAOYSA-N -1 3 399.410 3.808 20 0 GHADHM CN(C(=O)C=Cc1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812558 607441585 /nfs/dbraw/zinc/44/15/85/607441585.db2.gz MSBFXSDHDKLICU-DHZHZOJOSA-N -1 3 390.834 3.745 20 0 GHADHM CN(C(=O)C=Cc1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812558 607441586 /nfs/dbraw/zinc/44/15/86/607441586.db2.gz MSBFXSDHDKLICU-DHZHZOJOSA-N -1 3 390.834 3.745 20 0 GHADHM COc1cc(OC)c(C2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)c(OC)c1 ZINC000530165665 600504928 /nfs/dbraw/zinc/50/49/28/600504928.db2.gz ZVUUOPNUDCSISZ-CYBMUJFWSA-N -1 3 389.448 3.944 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1-c1cccc(Cl)c1 ZINC000826250672 607462356 /nfs/dbraw/zinc/46/23/56/607462356.db2.gz MBUDABWIRUFHMC-UHFFFAOYSA-N -1 3 393.838 3.779 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1-c1cccc(Cl)c1 ZINC000826250672 607462358 /nfs/dbraw/zinc/46/23/58/607462358.db2.gz MBUDABWIRUFHMC-UHFFFAOYSA-N -1 3 393.838 3.779 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736815190 600744727 /nfs/dbraw/zinc/74/47/27/600744727.db2.gz PIOQDTSRIKCGJV-INIZCTEOSA-N -1 3 382.464 3.905 20 0 GHADHM c1csc([C@H]2c3ccsc3CCN2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826526140 607479102 /nfs/dbraw/zinc/47/91/02/607479102.db2.gz MLZCEDKEPFBZJN-QGZVFWFLSA-N -1 3 380.502 3.532 20 0 GHADHM c1csc([C@H]2c3ccsc3CCN2Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826526140 607479104 /nfs/dbraw/zinc/47/91/04/607479104.db2.gz MLZCEDKEPFBZJN-QGZVFWFLSA-N -1 3 380.502 3.532 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCN1Cc1ccccc1 ZINC000828278421 601011770 /nfs/dbraw/zinc/01/17/70/601011770.db2.gz PTSZDOBJHYSUGF-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000826118439 601097009 /nfs/dbraw/zinc/09/70/09/601097009.db2.gz KHGYUNHLLYJIBV-FQEVSTJZSA-N -1 3 395.503 3.835 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832000340 601203216 /nfs/dbraw/zinc/20/32/16/601203216.db2.gz NXMABKDGYXDRIU-ORAYPTAESA-N -1 3 390.867 3.647 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000826051053 601204868 /nfs/dbraw/zinc/20/48/68/601204868.db2.gz AACASOVMHOPPSS-DIFFPNOSSA-N -1 3 381.259 3.984 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821389992 607496237 /nfs/dbraw/zinc/49/62/37/607496237.db2.gz SPXNDPVUJQSIPW-AWEZNQCLSA-N -1 3 398.488 3.740 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)CSCc1ccccc1 ZINC000821389992 607496238 /nfs/dbraw/zinc/49/62/38/607496238.db2.gz SPXNDPVUJQSIPW-AWEZNQCLSA-N -1 3 398.488 3.740 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000826051061 601650925 /nfs/dbraw/zinc/65/09/25/601650925.db2.gz ACKGPUWJJJVVIB-DIFFPNOSSA-N -1 3 381.259 3.984 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000826044414 601656154 /nfs/dbraw/zinc/65/61/54/601656154.db2.gz GLWMZUXSKRMFRG-AUSJPIAWSA-N -1 3 388.895 3.911 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1OCCc2ccccc21 ZINC000826468207 607530167 /nfs/dbraw/zinc/53/01/67/607530167.db2.gz FYSDVOLGSYYJGQ-OAQYLSRUSA-N -1 3 398.422 3.753 20 0 GHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1OCCc2ccccc21 ZINC000826468207 607530169 /nfs/dbraw/zinc/53/01/69/607530169.db2.gz FYSDVOLGSYYJGQ-OAQYLSRUSA-N -1 3 398.422 3.753 20 0 GHADHM C[C@H](CCC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824400127 607530336 /nfs/dbraw/zinc/53/03/36/607530336.db2.gz ALIRTJXATIDMGT-MRXNPFEDSA-N -1 3 395.532 3.800 20 0 GHADHM C[C@H](CCC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824400127 607530337 /nfs/dbraw/zinc/53/03/37/607530337.db2.gz ALIRTJXATIDMGT-MRXNPFEDSA-N -1 3 395.532 3.800 20 0 GHADHM COc1ccc(CS[C@@H](C)c2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000826207671 607535744 /nfs/dbraw/zinc/53/57/44/607535744.db2.gz XQHKXXHUPCQJOM-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(CS[C@@H](C)c2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000826207671 607535747 /nfs/dbraw/zinc/53/57/47/607535747.db2.gz XQHKXXHUPCQJOM-LBPRGKRZSA-N -1 3 394.460 3.920 20 0 GHADHM Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)c1 ZINC000832926395 602228937 /nfs/dbraw/zinc/22/89/37/602228937.db2.gz PEJCIYLQPYCUAW-GOSISDBHSA-N -1 3 389.521 3.530 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739612596 602606674 /nfs/dbraw/zinc/60/66/74/602606674.db2.gz JSSSIWCKVRVMNI-UHFFFAOYSA-N -1 3 396.491 3.713 20 0 GHADHM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000740675544 602645931 /nfs/dbraw/zinc/64/59/31/602645931.db2.gz KZWVYYNUFMEGFK-UHFFFAOYSA-N -1 3 393.487 3.643 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(F)cc1F ZINC000824255749 607577558 /nfs/dbraw/zinc/57/75/58/607577558.db2.gz WGLKUACQEQGRJI-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(F)cc1F ZINC000824255749 607577559 /nfs/dbraw/zinc/57/75/59/607577559.db2.gz WGLKUACQEQGRJI-UHFFFAOYSA-N -1 3 389.381 3.582 20 0 GHADHM COc1ccc(COC(=O)c2cccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC000826206292 607596190 /nfs/dbraw/zinc/59/61/90/607596190.db2.gz MEATXYQCTKZYNQ-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM COc1ccc(COC(=O)c2cccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC000826206292 607596192 /nfs/dbraw/zinc/59/61/92/607596192.db2.gz MEATXYQCTKZYNQ-UHFFFAOYSA-N -1 3 379.203 3.539 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)N(C)Cc1ccccc1 ZINC000738938956 603246569 /nfs/dbraw/zinc/24/65/69/603246569.db2.gz HWMNMJFFQWESRM-ZDUSSCGKSA-N -1 3 375.856 3.680 20 0 GHADHM CCC1CCC(N(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000825192475 607625761 /nfs/dbraw/zinc/62/57/61/607625761.db2.gz HFTIMECLYHOGGO-UHFFFAOYSA-N -1 3 398.511 3.518 20 0 GHADHM CCC1CCC(N(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C2CC2)CC1 ZINC000825192475 607625762 /nfs/dbraw/zinc/62/57/62/607625762.db2.gz HFTIMECLYHOGGO-UHFFFAOYSA-N -1 3 398.511 3.518 20 0 GHADHM Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1NC(=O)[O-] ZINC000830188644 603428427 /nfs/dbraw/zinc/42/84/27/603428427.db2.gz YYWDCNFVIKAOJK-UHFFFAOYSA-N -1 3 391.418 3.567 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000826255019 607646272 /nfs/dbraw/zinc/64/62/72/607646272.db2.gz IXZZFODQRHIBBT-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM CN(C)C(=O)Sc1ccc(CN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000827975449 603734581 /nfs/dbraw/zinc/73/45/81/603734581.db2.gz LJMOQDKYBOJCHU-WMZOPIPTSA-N -1 3 391.537 3.815 20 0 GHADHM O=C(CSc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421258 607656881 /nfs/dbraw/zinc/65/68/81/607656881.db2.gz ZHUYIYIPVRDDHG-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM O=C(CSc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421258 607656882 /nfs/dbraw/zinc/65/68/82/607656882.db2.gz ZHUYIYIPVRDDHG-UHFFFAOYSA-N -1 3 375.251 3.604 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000826916042 603966507 /nfs/dbraw/zinc/96/65/07/603966507.db2.gz DCRUVEGBDYLLSS-CYBMUJFWSA-N -1 3 378.860 3.602 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000829602698 604289965 /nfs/dbraw/zinc/28/99/65/604289965.db2.gz WATKBKFJICOPPF-CRAIPNDOSA-N -1 3 384.451 3.822 20 0 GHADHM Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000829859833 604377479 /nfs/dbraw/zinc/37/74/79/604377479.db2.gz RYGNDYXGGWPIPV-HVYHFCKSSA-N -1 3 389.887 3.553 20 0 GHADHM C[C@@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000263335743 604421927 /nfs/dbraw/zinc/42/19/27/604421927.db2.gz MKCJLNYRTGXVAH-QMTHXVAHSA-N -1 3 381.295 3.725 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000826250769 607703390 /nfs/dbraw/zinc/70/33/90/607703390.db2.gz RCOLTXCMFZIGLK-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000826250769 607703392 /nfs/dbraw/zinc/70/33/92/607703392.db2.gz RCOLTXCMFZIGLK-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(SCC)cc1 ZINC000825620653 607706826 /nfs/dbraw/zinc/70/68/26/607706826.db2.gz GARIMQYFEYVJEK-UHFFFAOYSA-N -1 3 383.477 3.559 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(SCC)cc1 ZINC000825620653 607706827 /nfs/dbraw/zinc/70/68/27/607706827.db2.gz GARIMQYFEYVJEK-UHFFFAOYSA-N -1 3 383.477 3.559 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000826250528 607709162 /nfs/dbraw/zinc/70/91/62/607709162.db2.gz FWFRNYLWNNAQNV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000826250528 607709165 /nfs/dbraw/zinc/70/91/65/607709165.db2.gz FWFRNYLWNNAQNV-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000826250908 607709248 /nfs/dbraw/zinc/70/92/48/607709248.db2.gz YQAUXKKHXNXUJT-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000826250908 607709250 /nfs/dbraw/zinc/70/92/50/607709250.db2.gz YQAUXKKHXNXUJT-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000824353240 607718968 /nfs/dbraw/zinc/71/89/68/607718968.db2.gz ZKPPTODSIOARBM-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000824353240 607718970 /nfs/dbraw/zinc/71/89/70/607718970.db2.gz ZKPPTODSIOARBM-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000833417984 604954451 /nfs/dbraw/zinc/95/44/51/604954451.db2.gz ZWUYOEHVSBAOEE-ZBFHGGJFSA-N -1 3 398.425 3.634 20 0 GHADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000827717754 604994227 /nfs/dbraw/zinc/99/42/27/604994227.db2.gz LQNCQADXCKOLOG-XOBRGWDASA-N -1 3 393.418 3.950 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCS[C@@H](c3ccccc3)C2)n1 ZINC000826368098 607729025 /nfs/dbraw/zinc/72/90/25/607729025.db2.gz BVBMJFNHDLZPLT-CYBMUJFWSA-N -1 3 392.410 3.575 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCS[C@@H](c3ccccc3)C2)n1 ZINC000826368098 607729023 /nfs/dbraw/zinc/72/90/23/607729023.db2.gz BVBMJFNHDLZPLT-CYBMUJFWSA-N -1 3 392.410 3.575 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000826353217 607737606 /nfs/dbraw/zinc/73/76/06/607737606.db2.gz GRCMWIVLIRJASO-ZDUSSCGKSA-N -1 3 392.850 3.726 20 0 GHADHM Clc1ccccc1O[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000826353217 607737607 /nfs/dbraw/zinc/73/76/07/607737607.db2.gz GRCMWIVLIRJASO-ZDUSSCGKSA-N -1 3 392.850 3.726 20 0 GHADHM CC(C)(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC000833448026 605417700 /nfs/dbraw/zinc/41/77/00/605417700.db2.gz VWAKQGFMMYGLPP-MRXNPFEDSA-N -1 3 393.281 3.937 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2c(C)cccc2C)cc1-c1nnn[n-]1 ZINC000825539186 607757647 /nfs/dbraw/zinc/75/76/47/607757647.db2.gz NYUCCXHQJVEPPI-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000825539186 607757648 /nfs/dbraw/zinc/75/76/48/607757648.db2.gz NYUCCXHQJVEPPI-UHFFFAOYSA-N -1 3 395.423 3.696 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825044435 607762501 /nfs/dbraw/zinc/76/25/01/607762501.db2.gz QSJVKOWULFWMET-UHFFFAOYSA-N -1 3 392.507 3.896 20 0 GHADHM CCC(C)(C)c1ccc(CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825044435 607762502 /nfs/dbraw/zinc/76/25/02/607762502.db2.gz QSJVKOWULFWMET-UHFFFAOYSA-N -1 3 392.507 3.896 20 0 GHADHM CS[C@H](C)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826226273 607764912 /nfs/dbraw/zinc/76/49/12/607764912.db2.gz WFWGVGUOWXXWTM-CYBMUJFWSA-N -1 3 399.545 3.640 20 0 GHADHM CS[C@H](C)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826226273 607764913 /nfs/dbraw/zinc/76/49/13/607764913.db2.gz WFWGVGUOWXXWTM-CYBMUJFWSA-N -1 3 399.545 3.640 20 0 GHADHM CCOc1cccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000825649659 607768898 /nfs/dbraw/zinc/76/88/98/607768898.db2.gz UMQOINZJMXNWOM-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCOc1cccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000825649659 607768899 /nfs/dbraw/zinc/76/88/99/607768899.db2.gz UMQOINZJMXNWOM-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM CCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000825704466 607769813 /nfs/dbraw/zinc/76/98/13/607769813.db2.gz JHDLHQBSBVUJPE-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000825704466 607769814 /nfs/dbraw/zinc/76/98/14/607769814.db2.gz JHDLHQBSBVUJPE-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824936762 607770319 /nfs/dbraw/zinc/77/03/19/607770319.db2.gz LTXXZSCVXPCPIW-LRDDRELGSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824936762 607770320 /nfs/dbraw/zinc/77/03/20/607770320.db2.gz LTXXZSCVXPCPIW-LRDDRELGSA-N -1 3 398.492 3.524 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826264058 607771543 /nfs/dbraw/zinc/77/15/43/607771543.db2.gz AOWCBZLSRJALHR-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826264058 607771544 /nfs/dbraw/zinc/77/15/44/607771544.db2.gz AOWCBZLSRJALHR-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nccn1-c1ccc(CN[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cc1F ZINC000833917611 605793785 /nfs/dbraw/zinc/79/37/85/605793785.db2.gz HGYZWBJYRSVDCY-RBUKOAKNSA-N -1 3 380.423 3.863 20 0 GHADHM C[C@@H]1CN([C@H](CNCc2cc(C(=O)[O-])ccc2Cl)c2cccs2)CCO1 ZINC000833625842 605831591 /nfs/dbraw/zinc/83/15/91/605831591.db2.gz NIGOFFLLMPEIER-CXAGYDPISA-N -1 3 394.924 3.651 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000820321181 606028186 /nfs/dbraw/zinc/02/81/86/606028186.db2.gz CFYAMWCSGPHANA-BLIJAFNYSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccncc2)cc1 ZINC000820321181 606028188 /nfs/dbraw/zinc/02/81/88/606028188.db2.gz CFYAMWCSGPHANA-BLIJAFNYSA-N -1 3 396.454 3.819 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821139164 606033093 /nfs/dbraw/zinc/03/30/93/606033093.db2.gz QLTCKAPUHSESGW-SFHVURJKSA-N -1 3 394.479 3.568 20 0 GHADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821139164 606033098 /nfs/dbraw/zinc/03/30/98/606033098.db2.gz QLTCKAPUHSESGW-SFHVURJKSA-N -1 3 394.479 3.568 20 0 GHADHM CC[C@@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)C1CCOCC1 ZINC000820926207 606042993 /nfs/dbraw/zinc/04/29/93/606042993.db2.gz QRDOWYPCAXKZAK-OAHLLOKOSA-N -1 3 391.479 3.593 20 0 GHADHM CC[C@@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)C1CCOCC1 ZINC000820926207 606042998 /nfs/dbraw/zinc/04/29/98/606042998.db2.gz QRDOWYPCAXKZAK-OAHLLOKOSA-N -1 3 391.479 3.593 20 0 GHADHM Cc1sc(NC(=O)CCc2c[nH]c3ccc(C)cc23)c(-c2nnn[n-]2)c1C ZINC000822274601 606054486 /nfs/dbraw/zinc/05/44/86/606054486.db2.gz CETDIMSERSBQBP-UHFFFAOYSA-N -1 3 380.477 3.906 20 0 GHADHM Cc1sc(NC(=O)CCc2c[nH]c3ccc(C)cc23)c(-c2nn[n-]n2)c1C ZINC000822274601 606054491 /nfs/dbraw/zinc/05/44/91/606054491.db2.gz CETDIMSERSBQBP-UHFFFAOYSA-N -1 3 380.477 3.906 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)n(C)n1 ZINC000820187547 606102150 /nfs/dbraw/zinc/10/21/50/606102150.db2.gz GVGIGLHDKWVPBE-UHFFFAOYSA-N -1 3 399.524 3.696 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)n(C)n1 ZINC000820187547 606102152 /nfs/dbraw/zinc/10/21/52/606102152.db2.gz GVGIGLHDKWVPBE-UHFFFAOYSA-N -1 3 399.524 3.696 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000822263559 606103011 /nfs/dbraw/zinc/10/30/11/606103011.db2.gz SQYSEBLUSRGFBC-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822263559 606103015 /nfs/dbraw/zinc/10/30/15/606103015.db2.gz SQYSEBLUSRGFBC-MRXNPFEDSA-N -1 3 379.464 3.520 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822230386 606116448 /nfs/dbraw/zinc/11/64/48/606116448.db2.gz FCYXLGVSDCKZSG-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822230386 606116451 /nfs/dbraw/zinc/11/64/51/606116451.db2.gz FCYXLGVSDCKZSG-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1cnc([C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000822389022 606119320 /nfs/dbraw/zinc/11/93/20/606119320.db2.gz IZJAUQFJDYQFGX-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1cnc([C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000822389022 606119322 /nfs/dbraw/zinc/11/93/22/606119322.db2.gz IZJAUQFJDYQFGX-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000820281103 606138737 /nfs/dbraw/zinc/13/87/37/606138737.db2.gz QXNLUBFLBHDZIC-VIFPVBQESA-N -1 3 389.341 3.637 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000820281103 606138738 /nfs/dbraw/zinc/13/87/38/606138738.db2.gz QXNLUBFLBHDZIC-VIFPVBQESA-N -1 3 389.341 3.637 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1sccc1-c1nnn[n-]1 ZINC000820563417 606149116 /nfs/dbraw/zinc/14/91/16/606149116.db2.gz QPKGQTUNZALWRY-MNOVXSKESA-N -1 3 375.885 3.846 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1sccc1-c1nn[n-]n1 ZINC000820563417 606149118 /nfs/dbraw/zinc/14/91/18/606149118.db2.gz QPKGQTUNZALWRY-MNOVXSKESA-N -1 3 375.885 3.846 20 0 GHADHM CSc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821982984 606150890 /nfs/dbraw/zinc/15/08/90/606150890.db2.gz CHPMRMDAZUOUCI-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000821608679 606154901 /nfs/dbraw/zinc/15/49/01/606154901.db2.gz QAFSQLIXZCSLAF-UHFFFAOYSA-N -1 3 392.463 3.759 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000821608679 606154903 /nfs/dbraw/zinc/15/49/03/606154903.db2.gz QAFSQLIXZCSLAF-UHFFFAOYSA-N -1 3 392.463 3.759 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820562603 606155770 /nfs/dbraw/zinc/15/57/70/606155770.db2.gz HPBYQKWLUPJENH-RNUGCUGFSA-N -1 3 396.394 3.775 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820562603 606155772 /nfs/dbraw/zinc/15/57/72/606155772.db2.gz HPBYQKWLUPJENH-RNUGCUGFSA-N -1 3 396.394 3.775 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCO2)cc1 ZINC000822766923 606175180 /nfs/dbraw/zinc/17/51/80/606175180.db2.gz PZISWJIXYHTFJP-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCO2)cc1 ZINC000822766923 606175182 /nfs/dbraw/zinc/17/51/82/606175182.db2.gz PZISWJIXYHTFJP-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1cnc(C(C)(C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822389417 606197230 /nfs/dbraw/zinc/19/72/30/606197230.db2.gz VMYDMLADSAZGRP-UHFFFAOYSA-N -1 3 393.929 3.507 20 0 GHADHM Cc1cnc(C(C)(C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822389417 606197231 /nfs/dbraw/zinc/19/72/31/606197231.db2.gz VMYDMLADSAZGRP-UHFFFAOYSA-N -1 3 393.929 3.507 20 0 GHADHM CCN(C(=O)c1sc(Cl)nc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159899 606207116 /nfs/dbraw/zinc/20/71/16/606207116.db2.gz CXTNCQNSDIFISX-JTQLQIEISA-N -1 3 376.873 3.508 20 0 GHADHM CCN(C(=O)c1sc(Cl)nc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159899 606207118 /nfs/dbraw/zinc/20/71/18/606207118.db2.gz CXTNCQNSDIFISX-JTQLQIEISA-N -1 3 376.873 3.508 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)nc1-c1cccc(Cl)c1 ZINC000822562638 606210902 /nfs/dbraw/zinc/21/09/02/606210902.db2.gz CGSAEFILCYPCRF-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)nc1-c1cccc(Cl)c1 ZINC000822562638 606210904 /nfs/dbraw/zinc/21/09/04/606210904.db2.gz CGSAEFILCYPCRF-UHFFFAOYSA-N -1 3 399.867 3.543 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000823343898 606265570 /nfs/dbraw/zinc/26/55/70/606265570.db2.gz KGNHWMWJMJWSEA-UHFFFAOYSA-N -1 3 393.403 3.879 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc2c(s1)-c1ccccc1OC2 ZINC000823343898 606265572 /nfs/dbraw/zinc/26/55/72/606265572.db2.gz KGNHWMWJMJWSEA-UHFFFAOYSA-N -1 3 393.403 3.879 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820536141 606266539 /nfs/dbraw/zinc/26/65/39/606266539.db2.gz SEWYBQTVWCEPTF-GFCCVEGCSA-N -1 3 383.427 3.709 20 0 GHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820536141 606266541 /nfs/dbraw/zinc/26/65/41/606266541.db2.gz SEWYBQTVWCEPTF-GFCCVEGCSA-N -1 3 383.427 3.709 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)c(C)c2c1 ZINC000821854575 606266627 /nfs/dbraw/zinc/26/66/27/606266627.db2.gz NSTNVXTVMDGVIP-UHFFFAOYSA-N -1 3 383.408 3.790 20 0 GHADHM COc1ccc2sc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)c(C)c2c1 ZINC000821854575 606266629 /nfs/dbraw/zinc/26/66/29/606266629.db2.gz NSTNVXTVMDGVIP-UHFFFAOYSA-N -1 3 383.408 3.790 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OCCC ZINC000821128292 606271761 /nfs/dbraw/zinc/27/17/61/606271761.db2.gz SSRUOELTMUTECY-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM CCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1OCCC ZINC000821128292 606271762 /nfs/dbraw/zinc/27/17/62/606271762.db2.gz SSRUOELTMUTECY-UHFFFAOYSA-N -1 3 399.426 3.836 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823368296 606273279 /nfs/dbraw/zinc/27/32/79/606273279.db2.gz UANFZOLFNMVYDZ-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823368296 606273281 /nfs/dbraw/zinc/27/32/81/606273281.db2.gz UANFZOLFNMVYDZ-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM CCN(CC1CC1)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821197138 606274075 /nfs/dbraw/zinc/27/40/75/606274075.db2.gz GPJVLFUQIYHPEY-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM CCN(CC1CC1)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821197138 606274077 /nfs/dbraw/zinc/27/40/77/606274077.db2.gz GPJVLFUQIYHPEY-UHFFFAOYSA-N -1 3 379.489 3.890 20 0 GHADHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823367731 606276763 /nfs/dbraw/zinc/27/67/63/606276763.db2.gz OIPJACMLJZQBQE-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823367731 606276764 /nfs/dbraw/zinc/27/67/64/606276764.db2.gz OIPJACMLJZQBQE-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820937677 606335453 /nfs/dbraw/zinc/33/54/53/606335453.db2.gz BUGMZDFHVIFFGD-GOSISDBHSA-N -1 3 397.454 3.600 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820937677 606335456 /nfs/dbraw/zinc/33/54/56/606335456.db2.gz BUGMZDFHVIFFGD-GOSISDBHSA-N -1 3 397.454 3.600 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000820380667 606347154 /nfs/dbraw/zinc/34/71/54/606347154.db2.gz YBSSKCMPCPRLIV-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000820380667 606347155 /nfs/dbraw/zinc/34/71/55/606347155.db2.gz YBSSKCMPCPRLIV-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](OC(=O)c1csc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519483 606348261 /nfs/dbraw/zinc/34/82/61/606348261.db2.gz VFCXAZQBJLAMPH-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519483 606348263 /nfs/dbraw/zinc/34/82/63/606348263.db2.gz VFCXAZQBJLAMPH-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000823343839 606348268 /nfs/dbraw/zinc/34/82/68/606348268.db2.gz ITWFLLLHVWWYQQ-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000823343839 606348270 /nfs/dbraw/zinc/34/82/70/606348270.db2.gz ITWFLLLHVWWYQQ-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000822299223 606351445 /nfs/dbraw/zinc/35/14/45/606351445.db2.gz BVPITDBSKRWCMQ-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822299223 606351446 /nfs/dbraw/zinc/35/14/46/606351446.db2.gz BVPITDBSKRWCMQ-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891289 606351665 /nfs/dbraw/zinc/35/16/65/606351665.db2.gz ZOQIPANCCKMSGO-AWEZNQCLSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821891289 606351666 /nfs/dbraw/zinc/35/16/66/606351666.db2.gz ZOQIPANCCKMSGO-AWEZNQCLSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891227 606351772 /nfs/dbraw/zinc/35/17/72/606351772.db2.gz XPQLTBCFBKLQLN-GJZGRUSLSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821891227 606351774 /nfs/dbraw/zinc/35/17/74/606351774.db2.gz XPQLTBCFBKLQLN-GJZGRUSLSA-N -1 3 380.448 3.748 20 0 GHADHM C[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497478 606357657 /nfs/dbraw/zinc/35/76/57/606357657.db2.gz SBKCPSNNUBXRPH-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497478 606357659 /nfs/dbraw/zinc/35/76/59/606357659.db2.gz SBKCPSNNUBXRPH-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cn2ccccc2n1 ZINC000823454675 606360834 /nfs/dbraw/zinc/36/08/34/606360834.db2.gz QJSIATROAGGSMA-UHFFFAOYSA-N -1 3 398.382 3.526 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)n2)c(F)cc1F ZINC000822130546 606373511 /nfs/dbraw/zinc/37/35/11/606373511.db2.gz VDPGZWWZWJWNLL-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)n2)c(F)cc1F ZINC000822130546 606373513 /nfs/dbraw/zinc/37/35/13/606373513.db2.gz VDPGZWWZWJWNLL-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N[C@H]1CCCSC1 ZINC000823367017 606383334 /nfs/dbraw/zinc/38/33/34/606383334.db2.gz DERHAAGOBWXFJI-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N[C@H]1CCCSC1 ZINC000823367017 606383335 /nfs/dbraw/zinc/38/33/35/606383335.db2.gz DERHAAGOBWXFJI-HNNXBMFYSA-N -1 3 396.476 3.676 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417267 606398056 /nfs/dbraw/zinc/39/80/56/606398056.db2.gz KIMKKYCLZPWRCQ-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417267 606398058 /nfs/dbraw/zinc/39/80/58/606398058.db2.gz KIMKKYCLZPWRCQ-CQSZACIVSA-N -1 3 394.431 3.533 20 0 GHADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569736 606412061 /nfs/dbraw/zinc/41/20/61/606412061.db2.gz UDPDINBKZRNDSY-HJWRWDBZSA-N -1 3 396.863 3.806 20 0 GHADHM CN(C(=O)C=Cc1nc2ccccc2s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569736 606412062 /nfs/dbraw/zinc/41/20/62/606412062.db2.gz UDPDINBKZRNDSY-HJWRWDBZSA-N -1 3 396.863 3.806 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000820741757 606425376 /nfs/dbraw/zinc/42/53/76/606425376.db2.gz FRRLAMKEKJTJES-ZIAGYGMSSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000820741757 606425377 /nfs/dbraw/zinc/42/53/77/606425377.db2.gz FRRLAMKEKJTJES-ZIAGYGMSSA-N -1 3 379.489 3.746 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1cccnc1 ZINC000822204046 606444836 /nfs/dbraw/zinc/44/48/36/606444836.db2.gz BMPYXBRWTCXTHC-KRWDZBQOSA-N -1 3 375.411 3.599 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1cccnc1 ZINC000822204046 606444838 /nfs/dbraw/zinc/44/48/38/606444838.db2.gz BMPYXBRWTCXTHC-KRWDZBQOSA-N -1 3 375.411 3.599 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822578096 606450456 /nfs/dbraw/zinc/45/04/56/606450456.db2.gz DALYFQQGDHDPIH-INIZCTEOSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822578096 606450457 /nfs/dbraw/zinc/45/04/57/606450457.db2.gz DALYFQQGDHDPIH-INIZCTEOSA-N -1 3 385.855 3.690 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819928860 606461838 /nfs/dbraw/zinc/46/18/38/606461838.db2.gz YWXGRRHPWDWOBJ-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819928860 606461839 /nfs/dbraw/zinc/46/18/39/606461839.db2.gz YWXGRRHPWDWOBJ-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM FC(F)(F)[C@H]1CCC[C@@H](CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000822714142 606472348 /nfs/dbraw/zinc/47/23/48/606472348.db2.gz HGSZASVACIETTB-MNOVXSKESA-N -1 3 384.431 3.522 20 0 GHADHM FC(F)(F)[C@H]1CCC[C@@H](CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000822714142 606472351 /nfs/dbraw/zinc/47/23/51/606472351.db2.gz HGSZASVACIETTB-MNOVXSKESA-N -1 3 384.431 3.522 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823308461 606480528 /nfs/dbraw/zinc/48/05/28/606480528.db2.gz BCJHXGBUSJQHAY-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823308461 606480530 /nfs/dbraw/zinc/48/05/30/606480530.db2.gz BCJHXGBUSJQHAY-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820561944 606481413 /nfs/dbraw/zinc/48/14/13/606481413.db2.gz BXBMAAHGXWEFMK-JTQLQIEISA-N -1 3 395.360 3.939 20 0 GHADHM Cc1csc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822409388 606487627 /nfs/dbraw/zinc/48/76/27/606487627.db2.gz SFYRZRFFTDBGCF-ZDUSSCGKSA-N -1 3 392.435 3.570 20 0 GHADHM Cc1csc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822409388 606487629 /nfs/dbraw/zinc/48/76/29/606487629.db2.gz SFYRZRFFTDBGCF-ZDUSSCGKSA-N -1 3 392.435 3.570 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000821412491 606497355 /nfs/dbraw/zinc/49/73/55/606497355.db2.gz MKYHBPBIMVOMAP-UHFFFAOYSA-N -1 3 394.822 3.719 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820570295 606502659 /nfs/dbraw/zinc/50/26/59/606502659.db2.gz GLWDWVFEWLRPJF-CYBMUJFWSA-N -1 3 381.867 3.815 20 0 GHADHM C[C@H](c1ccccc1Cl)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820570295 606502661 /nfs/dbraw/zinc/50/26/61/606502661.db2.gz GLWDWVFEWLRPJF-CYBMUJFWSA-N -1 3 381.867 3.815 20 0 GHADHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000819987581 606505324 /nfs/dbraw/zinc/50/53/24/606505324.db2.gz AHHWFLCEDOKHHF-UHFFFAOYSA-N -1 3 381.383 3.612 20 0 GHADHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000819987581 606505326 /nfs/dbraw/zinc/50/53/26/606505326.db2.gz AHHWFLCEDOKHHF-UHFFFAOYSA-N -1 3 381.383 3.612 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OCCc2ccccc2)c1 ZINC000823109067 606516255 /nfs/dbraw/zinc/51/62/55/606516255.db2.gz WZRQOPWUXHOJPV-UHFFFAOYSA-N -1 3 399.454 3.669 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OCCc2ccccc2)c1 ZINC000823109067 606516257 /nfs/dbraw/zinc/51/62/57/606516257.db2.gz WZRQOPWUXHOJPV-UHFFFAOYSA-N -1 3 399.454 3.669 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357732 606529051 /nfs/dbraw/zinc/52/90/51/606529051.db2.gz JLKUHYWIDGVBTK-ZOWXZIJZSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357732 606529052 /nfs/dbraw/zinc/52/90/52/606529052.db2.gz JLKUHYWIDGVBTK-ZOWXZIJZSA-N -1 3 396.417 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1COc1ccccc1 ZINC000823108040 606530020 /nfs/dbraw/zinc/53/00/20/606530020.db2.gz IMMLAIVJLHTVIA-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1COc1ccccc1 ZINC000823108040 606530021 /nfs/dbraw/zinc/53/00/21/606530021.db2.gz IMMLAIVJLHTVIA-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000823087575 606532998 /nfs/dbraw/zinc/53/29/98/606532998.db2.gz UBXOJLHBVSLQRA-OAQYLSRUSA-N -1 3 383.455 3.926 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000823087575 606532999 /nfs/dbraw/zinc/53/29/99/606532999.db2.gz UBXOJLHBVSLQRA-OAQYLSRUSA-N -1 3 383.455 3.926 20 0 GHADHM O=C(CCC1CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822950391 606549518 /nfs/dbraw/zinc/54/95/18/606549518.db2.gz MEMYZGSACVIOSH-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(CCC1CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822950391 606549521 /nfs/dbraw/zinc/54/95/21/606549521.db2.gz MEMYZGSACVIOSH-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822232055 606569739 /nfs/dbraw/zinc/56/97/39/606569739.db2.gz RQSVXYFWLSIOPE-IIBYNOLFSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822232055 606569740 /nfs/dbraw/zinc/56/97/40/606569740.db2.gz RQSVXYFWLSIOPE-IIBYNOLFSA-N -1 3 375.476 3.717 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2C)cc1 ZINC000821702908 606576587 /nfs/dbraw/zinc/57/65/87/606576587.db2.gz GSTOIFDDEMEIFF-CYBMUJFWSA-N -1 3 394.435 3.684 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2C)cc1 ZINC000821702908 606576589 /nfs/dbraw/zinc/57/65/89/606576589.db2.gz GSTOIFDDEMEIFF-CYBMUJFWSA-N -1 3 394.435 3.684 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@H]1C ZINC000820741400 606577834 /nfs/dbraw/zinc/57/78/34/606577834.db2.gz CMRAAYIRCWYYDV-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@H]1C ZINC000820741400 606577836 /nfs/dbraw/zinc/57/78/36/606577836.db2.gz CMRAAYIRCWYYDV-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821431734 606580785 /nfs/dbraw/zinc/58/07/85/606580785.db2.gz YJCFWSFXVAODGZ-IBGZPJMESA-N -1 3 393.491 3.712 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821431734 606580787 /nfs/dbraw/zinc/58/07/87/606580787.db2.gz YJCFWSFXVAODGZ-IBGZPJMESA-N -1 3 393.491 3.712 20 0 GHADHM CCCOc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821138734 606596578 /nfs/dbraw/zinc/59/65/78/606596578.db2.gz GIJQTHLWRCNRHX-UHFFFAOYSA-N -1 3 375.379 3.869 20 0 GHADHM CCCOc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821138734 606596579 /nfs/dbraw/zinc/59/65/79/606596579.db2.gz GIJQTHLWRCNRHX-UHFFFAOYSA-N -1 3 375.379 3.869 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(SC(=O)N(C)C)cc1 ZINC000821412116 606596757 /nfs/dbraw/zinc/59/67/57/606596757.db2.gz IFXMHNVIXSJVPQ-UHFFFAOYSA-N -1 3 398.492 3.651 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(SC(=O)N(C)C)cc1 ZINC000821412116 606596759 /nfs/dbraw/zinc/59/67/59/606596759.db2.gz IFXMHNVIXSJVPQ-UHFFFAOYSA-N -1 3 398.492 3.651 20 0 GHADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)oc1C ZINC000822444391 606597207 /nfs/dbraw/zinc/59/72/07/606597207.db2.gz OOMJSLKJMGPMBL-UHFFFAOYSA-N -1 3 394.410 3.802 20 0 GHADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)oc1C ZINC000822444391 606597209 /nfs/dbraw/zinc/59/72/09/606597209.db2.gz OOMJSLKJMGPMBL-UHFFFAOYSA-N -1 3 394.410 3.802 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1csc(CCc2ccccc2)n1 ZINC000821702268 606601172 /nfs/dbraw/zinc/60/11/72/606601172.db2.gz NVYHOFDIUSPXGA-UHFFFAOYSA-N -1 3 393.472 3.696 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1csc(CCc2ccccc2)n1 ZINC000821702268 606601173 /nfs/dbraw/zinc/60/11/73/606601173.db2.gz NVYHOFDIUSPXGA-UHFFFAOYSA-N -1 3 393.472 3.696 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823257147 606618798 /nfs/dbraw/zinc/61/87/98/606618798.db2.gz BWDJKAQTCIQWOC-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823257147 606618799 /nfs/dbraw/zinc/61/87/99/606618799.db2.gz BWDJKAQTCIQWOC-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823108401 606623829 /nfs/dbraw/zinc/62/38/29/606623829.db2.gz MUAVWVZMKXSFFT-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000823108401 606623831 /nfs/dbraw/zinc/62/38/31/606623831.db2.gz MUAVWVZMKXSFFT-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000822128515 606632949 /nfs/dbraw/zinc/63/29/49/606632949.db2.gz CZEFRFVSIUHDQL-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3cccc(-c4nn[n-]n4)c3)n2)ccc1F ZINC000822128515 606632950 /nfs/dbraw/zinc/63/29/50/606632950.db2.gz CZEFRFVSIUHDQL-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820390505 606667673 /nfs/dbraw/zinc/66/76/73/606667673.db2.gz HTMJBFKJIJMJRF-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820390505 606667674 /nfs/dbraw/zinc/66/76/74/606667674.db2.gz HTMJBFKJIJMJRF-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000821407000 606673694 /nfs/dbraw/zinc/67/36/94/606673694.db2.gz NHNFUVSUMDTALZ-UHFFFAOYSA-N -1 3 387.390 3.505 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000821407000 606673695 /nfs/dbraw/zinc/67/36/95/606673695.db2.gz NHNFUVSUMDTALZ-UHFFFAOYSA-N -1 3 387.390 3.505 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822941296 606674584 /nfs/dbraw/zinc/67/45/84/606674584.db2.gz TXMOPZNSTCZNHA-GOSISDBHSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822941296 606674585 /nfs/dbraw/zinc/67/45/85/606674585.db2.gz TXMOPZNSTCZNHA-GOSISDBHSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822940878 606677795 /nfs/dbraw/zinc/67/77/95/606677795.db2.gz IJYLHRZDKBIJGK-KRWDZBQOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822940878 606677796 /nfs/dbraw/zinc/67/77/96/606677796.db2.gz IJYLHRZDKBIJGK-KRWDZBQOSA-N -1 3 379.420 3.557 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820294544 606684746 /nfs/dbraw/zinc/68/47/46/606684746.db2.gz UNUREBSPARRHOL-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820294544 606684747 /nfs/dbraw/zinc/68/47/47/606684747.db2.gz UNUREBSPARRHOL-LLVKDONJSA-N -1 3 390.415 3.617 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1sccc1-c1nnn[n-]1 ZINC000823140509 606694445 /nfs/dbraw/zinc/69/44/45/606694445.db2.gz VKSIRRVZLSPJFX-INIZCTEOSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1sccc1-c1nn[n-]n1 ZINC000823140509 606694446 /nfs/dbraw/zinc/69/44/46/606694446.db2.gz VKSIRRVZLSPJFX-INIZCTEOSA-N -1 3 379.420 3.587 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819975914 606717034 /nfs/dbraw/zinc/71/70/34/606717034.db2.gz FNNGILLNCLILQC-CQSZACIVSA-N -1 3 397.458 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819975914 606717035 /nfs/dbraw/zinc/71/70/35/606717035.db2.gz FNNGILLNCLILQC-CQSZACIVSA-N -1 3 397.458 3.584 20 0 GHADHM Clc1cccc([C@@H](NCc2cccc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC000822585702 606743127 /nfs/dbraw/zinc/74/31/27/606743127.db2.gz LKXUFCFQQMOPOG-LJQANCHMSA-N -1 3 376.851 3.794 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819958400 606779884 /nfs/dbraw/zinc/77/98/84/606779884.db2.gz JXKDHNPUICGANV-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819958400 606779887 /nfs/dbraw/zinc/77/98/87/606779887.db2.gz JXKDHNPUICGANV-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C(C)C)C2CC2)cc1 ZINC000822135915 606790898 /nfs/dbraw/zinc/79/08/98/606790898.db2.gz GVJRYLLKOSTPNA-UHFFFAOYSA-N -1 3 377.448 3.980 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C(C)C)C2CC2)cc1 ZINC000822135915 606790899 /nfs/dbraw/zinc/79/08/99/606790899.db2.gz GVJRYLLKOSTPNA-UHFFFAOYSA-N -1 3 377.448 3.980 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@@H]2CCCS2)cc1 ZINC000822145262 606809265 /nfs/dbraw/zinc/80/92/65/606809265.db2.gz PXKGCKMNOHBPET-KRWDZBQOSA-N -1 3 395.488 3.593 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@@H]2CCCS2)cc1 ZINC000822145262 606809266 /nfs/dbraw/zinc/80/92/66/606809266.db2.gz PXKGCKMNOHBPET-KRWDZBQOSA-N -1 3 395.488 3.593 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000823246391 606836743 /nfs/dbraw/zinc/83/67/43/606836743.db2.gz NYBJYLPXDSGNBC-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000823246391 606836745 /nfs/dbraw/zinc/83/67/45/606836745.db2.gz NYBJYLPXDSGNBC-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=c1[nH]c2ccccc2cc1CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823657478 606841609 /nfs/dbraw/zinc/84/16/09/606841609.db2.gz POTVEDFDRWSHDJ-UHFFFAOYSA-N -1 3 393.472 3.823 20 0 GHADHM O=c1[nH]c2ccccc2cc1CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823657478 606841610 /nfs/dbraw/zinc/84/16/10/606841610.db2.gz POTVEDFDRWSHDJ-UHFFFAOYSA-N -1 3 393.472 3.823 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820648491 606849000 /nfs/dbraw/zinc/84/90/00/606849000.db2.gz ALRYPQHUWCYWSQ-TUAOUCFPSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820648491 606849002 /nfs/dbraw/zinc/84/90/02/606849002.db2.gz ALRYPQHUWCYWSQ-TUAOUCFPSA-N -1 3 379.917 3.505 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000819835758 606849352 /nfs/dbraw/zinc/84/93/52/606849352.db2.gz ZWIBXNXYNBBNOP-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1ccc(Br)cc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000819835758 606849354 /nfs/dbraw/zinc/84/93/54/606849354.db2.gz ZWIBXNXYNBBNOP-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000820550805 606851183 /nfs/dbraw/zinc/85/11/83/606851183.db2.gz ZBDWDPXSHXAUAR-COPLHBTASA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000820550805 606851185 /nfs/dbraw/zinc/85/11/85/606851185.db2.gz ZBDWDPXSHXAUAR-COPLHBTASA-N -1 3 379.917 3.696 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](c1ccccc1)C1CC1 ZINC000823066112 606852235 /nfs/dbraw/zinc/85/22/35/606852235.db2.gz MEBGWHNQRCTFMJ-SFHVURJKSA-N -1 3 399.907 3.880 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](c1ccccc1)C1CC1 ZINC000823066112 606852236 /nfs/dbraw/zinc/85/22/36/606852236.db2.gz MEBGWHNQRCTFMJ-SFHVURJKSA-N -1 3 399.907 3.880 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000822214221 606861930 /nfs/dbraw/zinc/86/19/30/606861930.db2.gz VDIHVNJANVDKPG-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1ccc(-c2cncc(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000822214221 606861932 /nfs/dbraw/zinc/86/19/32/606861932.db2.gz VDIHVNJANVDKPG-OAHLLOKOSA-N -1 3 384.443 3.728 20 0 GHADHM CCOc1cc(Br)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821393794 606866465 /nfs/dbraw/zinc/86/64/65/606866465.db2.gz AZZKKUWRKGQKHG-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM CCOc1cc(Br)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821393794 606866468 /nfs/dbraw/zinc/86/64/68/606866468.db2.gz AZZKKUWRKGQKHG-UHFFFAOYSA-N -1 3 392.232 3.779 20 0 GHADHM c1coc(CN(CCCOc2cccc(-c3nn[n-]n3)c2)Cc2ccco2)c1 ZINC000823762030 606883009 /nfs/dbraw/zinc/88/30/09/606883009.db2.gz FQGHUJOSEQYYFF-UHFFFAOYSA-N -1 3 379.420 3.524 20 0 GHADHM Fc1cc(Cn2nccc2NCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000822748272 606917908 /nfs/dbraw/zinc/91/79/08/606917908.db2.gz QPTLHYJQAAXJQR-UHFFFAOYSA-N -1 3 383.818 3.516 20 0 GHADHM Fc1cc(Cn2nccc2NCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822748272 606917909 /nfs/dbraw/zinc/91/79/09/606917909.db2.gz QPTLHYJQAAXJQR-UHFFFAOYSA-N -1 3 383.818 3.516 20 0 GHADHM Fc1cccc([C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCO2)c1 ZINC000822787054 606931714 /nfs/dbraw/zinc/93/17/14/606931714.db2.gz TYHWPAKNCKEUES-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1cccc([C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCO2)c1 ZINC000822787054 606931715 /nfs/dbraw/zinc/93/17/15/606931715.db2.gz TYHWPAKNCKEUES-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821890036 606937621 /nfs/dbraw/zinc/93/76/21/606937621.db2.gz JEDZXGWNTJBOKL-LBPRGKRZSA-N -1 3 389.381 3.888 20 0 GHADHM COc1ccccc1[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821890036 606937623 /nfs/dbraw/zinc/93/76/23/606937623.db2.gz JEDZXGWNTJBOKL-LBPRGKRZSA-N -1 3 389.381 3.888 20 0 GHADHM Cc1coc(-c2cc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)ccc2C)n1 ZINC000822403177 606938380 /nfs/dbraw/zinc/93/83/80/606938380.db2.gz LTGBKUHKXFDEJK-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM Cc1coc(-c2cc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)ccc2C)n1 ZINC000822403177 606938382 /nfs/dbraw/zinc/93/83/82/606938382.db2.gz LTGBKUHKXFDEJK-UHFFFAOYSA-N -1 3 388.431 3.710 20 0 GHADHM c1c(-c2ccccc2)nc2sc(Sc3cccc(-c4nnn[n-]4)c3)nn12 ZINC000823766371 606945803 /nfs/dbraw/zinc/94/58/03/606945803.db2.gz BJFNBELYECEQOW-UHFFFAOYSA-N -1 3 377.458 3.789 20 0 GHADHM c1c(-c2ccccc2)nc2sc(Sc3cccc(-c4nn[n-]n4)c3)nn12 ZINC000823766371 606945805 /nfs/dbraw/zinc/94/58/05/606945805.db2.gz BJFNBELYECEQOW-UHFFFAOYSA-N -1 3 377.458 3.789 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820349372 606953208 /nfs/dbraw/zinc/95/32/08/606953208.db2.gz HTFFNZKOXPWJFM-VXGBXAGGSA-N -1 3 398.417 3.535 20 0 GHADHM C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820349372 606953210 /nfs/dbraw/zinc/95/32/10/606953210.db2.gz HTFFNZKOXPWJFM-VXGBXAGGSA-N -1 3 398.417 3.535 20 0 GHADHM CCCC1(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCC1 ZINC000821034890 606958442 /nfs/dbraw/zinc/95/84/42/606958442.db2.gz WBDKAFAIAFRNJV-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM CCCC1(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCC1 ZINC000821034890 606958444 /nfs/dbraw/zinc/95/84/44/606958444.db2.gz WBDKAFAIAFRNJV-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573348 606963113 /nfs/dbraw/zinc/96/31/13/606963113.db2.gz MCNQXQKQBUALGW-UHFFFAOYSA-N -1 3 396.813 3.727 20 0 GHADHM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573348 606963114 /nfs/dbraw/zinc/96/31/14/606963114.db2.gz MCNQXQKQBUALGW-UHFFFAOYSA-N -1 3 396.813 3.727 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822437282 606965623 /nfs/dbraw/zinc/96/56/23/606965623.db2.gz XSTPCQQWIAEPNM-UHFFFAOYSA-N -1 3 390.900 3.760 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822437282 606965624 /nfs/dbraw/zinc/96/56/24/606965624.db2.gz XSTPCQQWIAEPNM-UHFFFAOYSA-N -1 3 390.900 3.760 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820534182 606970696 /nfs/dbraw/zinc/97/06/96/606970696.db2.gz JRHHIEOQRCBQOL-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820534182 606970697 /nfs/dbraw/zinc/97/06/97/606970697.db2.gz JRHHIEOQRCBQOL-JTQLQIEISA-N -1 3 392.246 3.604 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822207211 606987617 /nfs/dbraw/zinc/98/76/17/606987617.db2.gz OHFLYOJTZZWZRN-INIZCTEOSA-N -1 3 390.491 3.735 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822207211 606987619 /nfs/dbraw/zinc/98/76/19/606987619.db2.gz OHFLYOJTZZWZRN-INIZCTEOSA-N -1 3 390.491 3.735 20 0 GHADHM CSc1ccc(Cl)c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821984978 606990241 /nfs/dbraw/zinc/99/02/41/606990241.db2.gz WUIDVFKNZRRAAY-UHFFFAOYSA-N -1 3 378.816 3.738 20 0 GHADHM CSc1ccc(Cl)c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821984978 606990242 /nfs/dbraw/zinc/99/02/42/606990242.db2.gz WUIDVFKNZRRAAY-UHFFFAOYSA-N -1 3 378.816 3.738 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Oc1ccccn1 ZINC000823427158 607001353 /nfs/dbraw/zinc/00/13/53/607001353.db2.gz ZAXDNACMAMGAPP-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Oc1ccccn1 ZINC000823427158 607001355 /nfs/dbraw/zinc/00/13/55/607001355.db2.gz ZAXDNACMAMGAPP-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822232868 607002047 /nfs/dbraw/zinc/00/20/47/607002047.db2.gz CLAGBEQABBVGDL-QFBILLFUSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822232868 607002048 /nfs/dbraw/zinc/00/20/48/607002048.db2.gz CLAGBEQABBVGDL-QFBILLFUSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(-c4nnn[n-]4)cs3)o2)cc1C ZINC000822214261 607003756 /nfs/dbraw/zinc/00/37/56/607003756.db2.gz WXBOCTMVGPYFNZ-LLVKDONJSA-N -1 3 396.432 3.513 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(-c4nn[n-]n4)cs3)o2)cc1C ZINC000822214261 607003759 /nfs/dbraw/zinc/00/37/59/607003759.db2.gz WXBOCTMVGPYFNZ-LLVKDONJSA-N -1 3 396.432 3.513 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000823071023 607012625 /nfs/dbraw/zinc/01/26/25/607012625.db2.gz XUNFOLIKDDQQGZ-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000823071023 607012626 /nfs/dbraw/zinc/01/26/26/607012626.db2.gz XUNFOLIKDDQQGZ-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000820555572 607014829 /nfs/dbraw/zinc/01/48/29/607014829.db2.gz MWGGNQKPTCCTDX-STQMWFEESA-N -1 3 393.472 3.971 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000820555572 607014831 /nfs/dbraw/zinc/01/48/31/607014831.db2.gz MWGGNQKPTCCTDX-STQMWFEESA-N -1 3 393.472 3.971 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3cc(F)ccc3-c3nnn[n-]3)o2)c1 ZINC000822331651 607038167 /nfs/dbraw/zinc/03/81/67/607038167.db2.gz JFUWCDXQZWFPNZ-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Cc1cccc(OCc2nnc(SCc3cc(F)ccc3-c3nn[n-]n3)o2)c1 ZINC000822331651 607038169 /nfs/dbraw/zinc/03/81/69/607038169.db2.gz JFUWCDXQZWFPNZ-UHFFFAOYSA-N -1 3 398.423 3.569 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nc(C3CC3)nn2-c2ccccc2)c1 ZINC000822758547 607039994 /nfs/dbraw/zinc/03/99/94/607039994.db2.gz RBZGJKBMPGMDPR-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nc(C3CC3)nn2-c2ccccc2)c1 ZINC000822758547 607039995 /nfs/dbraw/zinc/03/99/95/607039995.db2.gz RBZGJKBMPGMDPR-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cncc(F)c1 ZINC000823356041 607043797 /nfs/dbraw/zinc/04/37/97/607043797.db2.gz JBJBPASXSXMWGM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cncc(F)c1 ZINC000823356041 607043798 /nfs/dbraw/zinc/04/37/98/607043798.db2.gz JBJBPASXSXMWGM-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CCS[C@H](C)c1noc(CN(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821449601 607068622 /nfs/dbraw/zinc/06/86/22/607068622.db2.gz VOKRSIGXFMYXDB-QWHCGFSZSA-N -1 3 387.513 3.647 20 0 GHADHM CCS[C@H](C)c1noc(CN(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449601 607068624 /nfs/dbraw/zinc/06/86/24/607068624.db2.gz VOKRSIGXFMYXDB-QWHCGFSZSA-N -1 3 387.513 3.647 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000822978379 607094480 /nfs/dbraw/zinc/09/44/80/607094480.db2.gz ILTPQNBASPSOAB-NRFANRHFSA-N -1 3 399.454 3.722 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H](Cc1ccccc1)c1cccnc1 ZINC000822978379 607094482 /nfs/dbraw/zinc/09/44/82/607094482.db2.gz ILTPQNBASPSOAB-NRFANRHFSA-N -1 3 399.454 3.722 20 0 GHADHM CCS[C@@H](C)c1noc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821449722 607101276 /nfs/dbraw/zinc/10/12/76/607101276.db2.gz WZDBNEFOXYCEGC-ZDUSSCGKSA-N -1 3 387.513 3.726 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000821305098 607102318 /nfs/dbraw/zinc/10/23/18/607102318.db2.gz WWPSSCIJAIBRTM-UHFFFAOYSA-N -1 3 399.458 3.921 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1 ZINC000821701958 607124167 /nfs/dbraw/zinc/12/41/67/607124167.db2.gz BPHKLDDFBMBSIR-INIZCTEOSA-N -1 3 391.431 3.796 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1 ZINC000821701958 607124169 /nfs/dbraw/zinc/12/41/69/607124169.db2.gz BPHKLDDFBMBSIR-INIZCTEOSA-N -1 3 391.431 3.796 20 0 GHADHM Cc1ccn(-c2ccccc2CNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000822369726 607126214 /nfs/dbraw/zinc/12/62/14/607126214.db2.gz MOYOSZCILCULLC-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM Cc1ccn(-c2ccccc2CNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000822369726 607126216 /nfs/dbraw/zinc/12/62/16/607126216.db2.gz MOYOSZCILCULLC-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(-c5nnn[n-]5)cc4F)c23)C1 ZINC000820734756 607128479 /nfs/dbraw/zinc/12/84/79/607128479.db2.gz OKKWWALBFQFKDL-SECBINFHSA-N -1 3 382.424 3.928 20 0 GHADHM C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(-c5nn[n-]n5)cc4F)c23)C1 ZINC000820734756 607128481 /nfs/dbraw/zinc/12/84/81/607128481.db2.gz OKKWWALBFQFKDL-SECBINFHSA-N -1 3 382.424 3.928 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(OCCF)c1 ZINC000821104645 607139100 /nfs/dbraw/zinc/13/91/00/607139100.db2.gz LMNJPAXFWVNEAW-UHFFFAOYSA-N -1 3 398.442 3.659 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(OCCF)c1 ZINC000821104645 607139102 /nfs/dbraw/zinc/13/91/02/607139102.db2.gz LMNJPAXFWVNEAW-UHFFFAOYSA-N -1 3 398.442 3.659 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cnc1Cl ZINC000822208173 607139476 /nfs/dbraw/zinc/13/94/76/607139476.db2.gz DZRNSZKAEDZNTJ-UHFFFAOYSA-N -1 3 399.886 3.914 20 0 GHADHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cnc1Cl ZINC000822208173 607139478 /nfs/dbraw/zinc/13/94/78/607139478.db2.gz DZRNSZKAEDZNTJ-UHFFFAOYSA-N -1 3 399.886 3.914 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823358825 607142071 /nfs/dbraw/zinc/14/20/71/607142071.db2.gz FVAKLMZMSGWIAG-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823358825 607142072 /nfs/dbraw/zinc/14/20/72/607142072.db2.gz FVAKLMZMSGWIAG-LJQANCHMSA-N -1 3 376.464 3.886 20 0 GHADHM O=C(C=CSCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822923345 607142904 /nfs/dbraw/zinc/14/29/04/607142904.db2.gz QEMPCBMNUSVYDR-VQHVLOKHSA-N -1 3 387.490 3.786 20 0 GHADHM O=C(/C=C/SCc1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822923345 607142906 /nfs/dbraw/zinc/14/29/06/607142906.db2.gz QEMPCBMNUSVYDR-VQHVLOKHSA-N -1 3 387.490 3.786 20 0 GHADHM CCN(C(=O)[C@H](C)OC1CCCCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149094 607153655 /nfs/dbraw/zinc/15/36/55/607153655.db2.gz RXTGIXHHAJIWJZ-CVEARBPZSA-N -1 3 385.512 3.904 20 0 GHADHM CCN(C(=O)[C@H](C)OC1CCCCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149094 607153656 /nfs/dbraw/zinc/15/36/56/607153656.db2.gz RXTGIXHHAJIWJZ-CVEARBPZSA-N -1 3 385.512 3.904 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H](C)c1ccccc1C ZINC000821701558 607157989 /nfs/dbraw/zinc/15/79/89/607157989.db2.gz SQYFOJVKMBBZOQ-OAHLLOKOSA-N -1 3 396.447 3.647 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H](C)c1ccccc1C ZINC000821701558 607157990 /nfs/dbraw/zinc/15/79/90/607157990.db2.gz SQYFOJVKMBBZOQ-OAHLLOKOSA-N -1 3 396.447 3.647 20 0 GHADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082123 607190271 /nfs/dbraw/zinc/19/02/71/607190271.db2.gz BDWCMOGNGNULAW-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082123 607190272 /nfs/dbraw/zinc/19/02/72/607190272.db2.gz BDWCMOGNGNULAW-UHFFFAOYSA-N -1 3 381.745 3.720 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820820739 607197387 /nfs/dbraw/zinc/19/73/87/607197387.db2.gz PXZWDVNISLBLNV-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820820739 607197388 /nfs/dbraw/zinc/19/73/88/607197388.db2.gz PXZWDVNISLBLNV-JTQLQIEISA-N -1 3 386.818 3.810 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823319556 607197882 /nfs/dbraw/zinc/19/78/82/607197882.db2.gz VLUFVVXRERLSQL-CYBMUJFWSA-N -1 3 390.875 3.524 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823319556 607197883 /nfs/dbraw/zinc/19/78/83/607197883.db2.gz VLUFVVXRERLSQL-CYBMUJFWSA-N -1 3 390.875 3.524 20 0 GHADHM CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821618016 607200909 /nfs/dbraw/zinc/20/09/09/607200909.db2.gz MEVDYWDFRFDJDL-UHFFFAOYSA-N -1 3 399.867 3.794 20 0 GHADHM CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821618016 607200910 /nfs/dbraw/zinc/20/09/10/607200910.db2.gz MEVDYWDFRFDJDL-UHFFFAOYSA-N -1 3 399.867 3.794 20 0 GHADHM O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823171010 607202816 /nfs/dbraw/zinc/20/28/16/607202816.db2.gz MYWFTIQRTXKKBI-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823171010 607202817 /nfs/dbraw/zinc/20/28/17/607202817.db2.gz MYWFTIQRTXKKBI-UHFFFAOYSA-N -1 3 386.818 3.513 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821456167 607203249 /nfs/dbraw/zinc/20/32/49/607203249.db2.gz NXZFSLBYMRCLOO-KBPBESRZSA-N -1 3 380.905 3.706 20 0 GHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821456167 607203250 /nfs/dbraw/zinc/20/32/50/607203250.db2.gz NXZFSLBYMRCLOO-KBPBESRZSA-N -1 3 380.905 3.706 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823315489 607203977 /nfs/dbraw/zinc/20/39/77/607203977.db2.gz YMJFYCJJJWKIED-AWEZNQCLSA-N -1 3 382.855 3.617 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823315489 607203978 /nfs/dbraw/zinc/20/39/78/607203978.db2.gz YMJFYCJJJWKIED-AWEZNQCLSA-N -1 3 382.855 3.617 20 0 GHADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823031762 607241708 /nfs/dbraw/zinc/24/17/08/607241708.db2.gz IMFHQATVZRLLLD-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823031762 607241709 /nfs/dbraw/zinc/24/17/09/607241709.db2.gz IMFHQATVZRLLLD-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1-c1cccc(C)c1 ZINC000822284021 607242887 /nfs/dbraw/zinc/24/28/87/607242887.db2.gz GKYGRYFKFUVXIZ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1-c1cccc(C)c1 ZINC000822284021 607242888 /nfs/dbraw/zinc/24/28/88/607242888.db2.gz GKYGRYFKFUVXIZ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822554368 607243093 /nfs/dbraw/zinc/24/30/93/607243093.db2.gz YWJIAJRYSLXCIE-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822554368 607243094 /nfs/dbraw/zinc/24/30/94/607243094.db2.gz YWJIAJRYSLXCIE-UHFFFAOYSA-N -1 3 398.785 3.875 20 0 GHADHM CC(C)c1cccnc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824352381 607778352 /nfs/dbraw/zinc/77/83/52/607778352.db2.gz BPGAYSFNZSCTOF-UHFFFAOYSA-N -1 3 380.452 3.573 20 0 GHADHM CC(C)c1cccnc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824352381 607778353 /nfs/dbraw/zinc/77/83/53/607778353.db2.gz BPGAYSFNZSCTOF-UHFFFAOYSA-N -1 3 380.452 3.573 20 0 GHADHM C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385412 607785913 /nfs/dbraw/zinc/78/59/13/607785913.db2.gz SHLBBTHZWDZIHR-JTQLQIEISA-N -1 3 391.809 3.955 20 0 GHADHM C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385412 607785914 /nfs/dbraw/zinc/78/59/14/607785914.db2.gz SHLBBTHZWDZIHR-JTQLQIEISA-N -1 3 391.809 3.955 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377276 607796694 /nfs/dbraw/zinc/79/66/94/607796694.db2.gz ZZMVXROEAOVENZ-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377276 607796695 /nfs/dbraw/zinc/79/66/95/607796695.db2.gz ZZMVXROEAOVENZ-UHFFFAOYSA-N -1 3 394.822 3.842 20 0 GHADHM CCN(C(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385310 607799346 /nfs/dbraw/zinc/79/93/46/607799346.db2.gz BXFXMVZMTIXAEK-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(C(=O)c1cccc(-c2cscn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385310 607799347 /nfs/dbraw/zinc/79/93/47/607799347.db2.gz BXFXMVZMTIXAEK-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(Br)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829596 607801244 /nfs/dbraw/zinc/80/12/44/607801244.db2.gz HCSQDEVQANQVFW-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Cl)c(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829596 607801245 /nfs/dbraw/zinc/80/12/45/607801245.db2.gz HCSQDEVQANQVFW-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CC[C@@H](SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825158800 607814057 /nfs/dbraw/zinc/81/40/57/607814057.db2.gz AJRBIYXMTWPMMD-QGZVFWFLSA-N -1 3 388.518 3.525 20 0 GHADHM CC[C@@H](SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825158800 607814058 /nfs/dbraw/zinc/81/40/58/607814058.db2.gz AJRBIYXMTWPMMD-QGZVFWFLSA-N -1 3 388.518 3.525 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824457366 607815951 /nfs/dbraw/zinc/81/59/51/607815951.db2.gz KNGFNRVJBFMMPP-CQSZACIVSA-N -1 3 395.894 3.890 20 0 GHADHM C[C@H](Cc1ccccc1Cl)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824457366 607815952 /nfs/dbraw/zinc/81/59/52/607815952.db2.gz KNGFNRVJBFMMPP-CQSZACIVSA-N -1 3 395.894 3.890 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccco1 ZINC000824206584 607843737 /nfs/dbraw/zinc/84/37/37/607843737.db2.gz FOILKWGUTVPCAS-OAHLLOKOSA-N -1 3 391.884 3.546 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccco1 ZINC000824206584 607843738 /nfs/dbraw/zinc/84/37/38/607843738.db2.gz FOILKWGUTVPCAS-OAHLLOKOSA-N -1 3 391.884 3.546 20 0 GHADHM Cn1c(CSc2ccc(-c3nnn[n-]3)cc2Cl)nnc1-c1ccccc1 ZINC000826355648 607844922 /nfs/dbraw/zinc/84/49/22/607844922.db2.gz IIJYJNKNXRDLCB-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(CSc2ccc(-c3nn[n-]n3)cc2Cl)nnc1-c1ccccc1 ZINC000826355648 607844923 /nfs/dbraw/zinc/84/49/23/607844923.db2.gz IIJYJNKNXRDLCB-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccnc1-c1ccccc1 ZINC000826421268 607856035 /nfs/dbraw/zinc/85/60/35/607856035.db2.gz ZQANMMBFSAUZFY-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1-c1ccccc1 ZINC000826421268 607856036 /nfs/dbraw/zinc/85/60/36/607856036.db2.gz ZQANMMBFSAUZFY-UHFFFAOYSA-N -1 3 388.456 3.660 20 0 GHADHM CC(C)Oc1ccc(NCc2coc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000824329372 607880201 /nfs/dbraw/zinc/88/02/01/607880201.db2.gz NUQAFNZFNZLOMY-UHFFFAOYSA-N -1 3 376.420 3.921 20 0 GHADHM CC(C)Oc1ccc(NCc2coc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000824329372 607880202 /nfs/dbraw/zinc/88/02/02/607880202.db2.gz NUQAFNZFNZLOMY-UHFFFAOYSA-N -1 3 376.420 3.921 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nnn[n-]2)nc2ccc(Cl)cc12 ZINC000826500937 607884395 /nfs/dbraw/zinc/88/43/95/607884395.db2.gz SAGPWDCEJNLHKB-QPEQYQDCSA-N -1 3 385.214 3.906 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nn[n-]n2)nc2ccc(Cl)cc12 ZINC000826500937 607884396 /nfs/dbraw/zinc/88/43/96/607884396.db2.gz SAGPWDCEJNLHKB-QPEQYQDCSA-N -1 3 385.214 3.906 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824802047 607894046 /nfs/dbraw/zinc/89/40/46/607894046.db2.gz KSBOFWBFCXUSCN-INIZCTEOSA-N -1 3 397.523 3.843 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323872 607913206 /nfs/dbraw/zinc/91/32/06/607913206.db2.gz VKILQVUUXXVYKO-IWMPZKFUSA-N -1 3 396.520 3.988 20 0 GHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323872 607913207 /nfs/dbraw/zinc/91/32/07/607913207.db2.gz VKILQVUUXXVYKO-IWMPZKFUSA-N -1 3 396.520 3.988 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000824803913 607919520 /nfs/dbraw/zinc/91/95/20/607919520.db2.gz YVSPSAQLRPQQLD-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCC[C@H](CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000824803913 607919521 /nfs/dbraw/zinc/91/95/21/607919521.db2.gz YVSPSAQLRPQQLD-CYBMUJFWSA-N -1 3 396.451 3.566 20 0 GHADHM FC(F)(F)c1cccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826369243 607930593 /nfs/dbraw/zinc/93/05/93/607930593.db2.gz TVDLDJUIBZZGCJ-UHFFFAOYSA-N -1 3 390.394 3.645 20 0 GHADHM FC(F)(F)c1cccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826369243 607930594 /nfs/dbraw/zinc/93/05/94/607930594.db2.gz TVDLDJUIBZZGCJ-UHFFFAOYSA-N -1 3 390.394 3.645 20 0 GHADHM CCC(=O)c1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000825035292 607934076 /nfs/dbraw/zinc/93/40/76/607934076.db2.gz ZSCLOUWXSLIPST-ZDUSSCGKSA-N -1 3 395.438 3.822 20 0 GHADHM CCC(=O)c1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825035292 607934077 /nfs/dbraw/zinc/93/40/77/607934077.db2.gz ZSCLOUWXSLIPST-ZDUSSCGKSA-N -1 3 395.438 3.822 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C[C@@H](C)SC)cc1 ZINC000826176180 607937383 /nfs/dbraw/zinc/93/73/83/607937383.db2.gz FOOMKGBTUBBQIC-GFCCVEGCSA-N -1 3 399.476 3.748 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)C[C@@H](C)SC)cc1 ZINC000826176180 607937384 /nfs/dbraw/zinc/93/73/84/607937384.db2.gz FOOMKGBTUBBQIC-GFCCVEGCSA-N -1 3 399.476 3.748 20 0 GHADHM Cc1ccc(OCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(Cl)c1 ZINC000826292485 607951644 /nfs/dbraw/zinc/95/16/44/607951644.db2.gz WNXWZOWHMHQFGE-UHFFFAOYSA-N -1 3 397.866 3.577 20 0 GHADHM Cc1ccc(OCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(Cl)c1 ZINC000826292485 607951645 /nfs/dbraw/zinc/95/16/45/607951645.db2.gz WNXWZOWHMHQFGE-UHFFFAOYSA-N -1 3 397.866 3.577 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1c(C)noc1C ZINC000825133161 607960180 /nfs/dbraw/zinc/96/01/80/607960180.db2.gz KIRAENXQJUNHNL-AWEZNQCLSA-N -1 3 399.455 3.532 20 0 GHADHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1c(C)noc1C ZINC000825133161 607960181 /nfs/dbraw/zinc/96/01/81/607960181.db2.gz KIRAENXQJUNHNL-AWEZNQCLSA-N -1 3 399.455 3.532 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccc1F ZINC000825034748 607961981 /nfs/dbraw/zinc/96/19/81/607961981.db2.gz OOXSTZGZUXPACN-UHFFFAOYSA-N -1 3 399.451 3.791 20 0 GHADHM CCC(=O)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccc1F ZINC000825034748 607961982 /nfs/dbraw/zinc/96/19/82/607961982.db2.gz OOXSTZGZUXPACN-UHFFFAOYSA-N -1 3 399.451 3.791 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nnn[n-]3)c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826336693 607965841 /nfs/dbraw/zinc/96/58/41/607965841.db2.gz JQONXQQKOTXWNF-CZUORRHYSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCCOc2cccc(-c3nn[n-]n3)c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826336693 607965842 /nfs/dbraw/zinc/96/58/42/607965842.db2.gz JQONXQQKOTXWNF-CZUORRHYSA-N -1 3 399.524 3.689 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337550 607966185 /nfs/dbraw/zinc/96/61/85/607966185.db2.gz SMYXVSMFNHLVPX-FZMZJTMJSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337550 607966186 /nfs/dbraw/zinc/96/61/86/607966186.db2.gz SMYXVSMFNHLVPX-FZMZJTMJSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337688 607968741 /nfs/dbraw/zinc/96/87/41/607968741.db2.gz XLAKSWZIGNNYPL-SKDRFNHKSA-N -1 3 390.904 3.717 20 0 GHADHM Cc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337688 607968742 /nfs/dbraw/zinc/96/87/42/607968742.db2.gz XLAKSWZIGNNYPL-SKDRFNHKSA-N -1 3 390.904 3.717 20 0 GHADHM COc1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826177157 607980431 /nfs/dbraw/zinc/98/04/31/607980431.db2.gz UUVRQIRXZNJTPK-UHFFFAOYSA-N -1 3 385.855 3.832 20 0 GHADHM COc1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826177157 607980432 /nfs/dbraw/zinc/98/04/32/607980432.db2.gz UUVRQIRXZNJTPK-UHFFFAOYSA-N -1 3 385.855 3.832 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1-c1nnn[n-]1 ZINC000826207270 607983793 /nfs/dbraw/zinc/98/37/93/607983793.db2.gz HSJVLKNMYRSIME-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1-c1nn[n-]n1 ZINC000826207270 607983794 /nfs/dbraw/zinc/98/37/94/607983794.db2.gz HSJVLKNMYRSIME-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826399981 608000358 /nfs/dbraw/zinc/00/03/58/608000358.db2.gz LZVJLNGCOMGALK-SOFGYWHQSA-N -1 3 386.868 3.507 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826399981 608000359 /nfs/dbraw/zinc/00/03/59/608000359.db2.gz LZVJLNGCOMGALK-SOFGYWHQSA-N -1 3 386.868 3.507 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826350733 608015716 /nfs/dbraw/zinc/01/57/16/608015716.db2.gz JADGZJZKPYVODI-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1nccc(OCc2ccccc2)n1 ZINC000826350733 608015717 /nfs/dbraw/zinc/01/57/17/608015717.db2.gz JADGZJZKPYVODI-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824113971 608023368 /nfs/dbraw/zinc/02/33/68/608023368.db2.gz HJLIZXMJLNNWOD-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824113971 608023369 /nfs/dbraw/zinc/02/33/69/608023369.db2.gz HJLIZXMJLNNWOD-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826329779 608032149 /nfs/dbraw/zinc/03/21/49/608032149.db2.gz RFLHOZLQXVMFOG-UHFFFAOYSA-N -1 3 392.369 3.768 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826329779 608032150 /nfs/dbraw/zinc/03/21/50/608032150.db2.gz RFLHOZLQXVMFOG-UHFFFAOYSA-N -1 3 392.369 3.768 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392051 608051203 /nfs/dbraw/zinc/05/12/03/608051203.db2.gz LIKBWGWFCKGUOX-NOZJJQNGSA-N -1 3 394.298 3.615 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000824046612 608058692 /nfs/dbraw/zinc/05/86/92/608058692.db2.gz UGZLQHTWAPUTSX-HNNXBMFYSA-N -1 3 397.438 3.840 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(C(=O)c2ccccc2)c1 ZINC000824046612 608058693 /nfs/dbraw/zinc/05/86/93/608058693.db2.gz UGZLQHTWAPUTSX-HNNXBMFYSA-N -1 3 397.438 3.840 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)o1 ZINC000826318824 608066388 /nfs/dbraw/zinc/06/63/88/608066388.db2.gz AVDGUGJMLCNKFQ-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)o1 ZINC000826318824 608066389 /nfs/dbraw/zinc/06/63/89/608066389.db2.gz AVDGUGJMLCNKFQ-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM Clc1cccc(Cl)c1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826353300 608066816 /nfs/dbraw/zinc/06/68/16/608066816.db2.gz JRDRWJJJZXZBOB-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1cccc(Cl)c1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353300 608066817 /nfs/dbraw/zinc/06/68/17/608066817.db2.gz JRDRWJJJZXZBOB-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236417 608074301 /nfs/dbraw/zinc/07/43/01/608074301.db2.gz LDDUBACQLIETBO-UHFFFAOYSA-N -1 3 377.782 3.678 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236417 608074302 /nfs/dbraw/zinc/07/43/02/608074302.db2.gz LDDUBACQLIETBO-UHFFFAOYSA-N -1 3 377.782 3.678 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c[nH]c3cccc(F)c23)cc1-c1nnn[n-]1 ZINC000824329805 608074365 /nfs/dbraw/zinc/07/43/65/608074365.db2.gz WAUFHPSZJOSDJR-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c[nH]c3cccc(F)c23)cc1-c1nn[n-]n1 ZINC000824329805 608074366 /nfs/dbraw/zinc/07/43/66/608074366.db2.gz WAUFHPSZJOSDJR-UHFFFAOYSA-N -1 3 380.383 3.527 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499069 608098421 /nfs/dbraw/zinc/09/84/21/608098421.db2.gz NHAFVISMFJVQES-TYILLQQXSA-N -1 3 376.464 3.551 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499069 608098422 /nfs/dbraw/zinc/09/84/22/608098422.db2.gz NHAFVISMFJVQES-TYILLQQXSA-N -1 3 376.464 3.551 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccc(C)c(C)c1 ZINC000825796970 608109237 /nfs/dbraw/zinc/10/92/37/608109237.db2.gz RWPDXVQSSMJNOR-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccc(C)c(C)c1 ZINC000825796970 608109238 /nfs/dbraw/zinc/10/92/38/608109238.db2.gz RWPDXVQSSMJNOR-UHFFFAOYSA-N -1 3 392.492 3.662 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826478207 608111286 /nfs/dbraw/zinc/11/12/86/608111286.db2.gz WWCOZYUYMGSPON-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826478207 608111287 /nfs/dbraw/zinc/11/12/87/608111287.db2.gz WWCOZYUYMGSPON-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM CCSc1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000825674549 608115390 /nfs/dbraw/zinc/11/53/90/608115390.db2.gz NQILTGPJDUTQAA-UHFFFAOYSA-N -1 3 379.489 3.784 20 0 GHADHM CCSc1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000825674549 608115391 /nfs/dbraw/zinc/11/53/91/608115391.db2.gz NQILTGPJDUTQAA-UHFFFAOYSA-N -1 3 379.489 3.784 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000825076692 608137579 /nfs/dbraw/zinc/13/75/79/608137579.db2.gz XNOBDARNUYCDIK-AWEZNQCLSA-N -1 3 395.463 3.658 20 0 GHADHM CC[C@H](C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000825076692 608137580 /nfs/dbraw/zinc/13/75/80/608137580.db2.gz XNOBDARNUYCDIK-AWEZNQCLSA-N -1 3 395.463 3.658 20 0 GHADHM CCC[C@@H](C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225754 608158045 /nfs/dbraw/zinc/15/80/45/608158045.db2.gz XEMQNPQTDOVJTE-QGZVFWFLSA-N -1 3 381.484 3.680 20 0 GHADHM Cc1cnc([C@H](C)OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000826317964 608171114 /nfs/dbraw/zinc/17/11/14/608171114.db2.gz QVDHNZPJGFMNTD-ZDUSSCGKSA-N -1 3 391.387 3.873 20 0 GHADHM Cc1cnc([C@H](C)OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000826317964 608171116 /nfs/dbraw/zinc/17/11/16/608171116.db2.gz QVDHNZPJGFMNTD-ZDUSSCGKSA-N -1 3 391.387 3.873 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000826340216 608182938 /nfs/dbraw/zinc/18/29/38/608182938.db2.gz NLZDMSQKFPKMSI-NSHDSACASA-N -1 3 390.403 3.507 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000826340216 608182940 /nfs/dbraw/zinc/18/29/40/608182940.db2.gz NLZDMSQKFPKMSI-NSHDSACASA-N -1 3 390.403 3.507 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccco1 ZINC000826232165 608189144 /nfs/dbraw/zinc/18/91/44/608189144.db2.gz VQXZNYYXEZOUQM-GFCCVEGCSA-N -1 3 377.360 3.565 20 0 GHADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccco1 ZINC000826232165 608189145 /nfs/dbraw/zinc/18/91/45/608189145.db2.gz VQXZNYYXEZOUQM-GFCCVEGCSA-N -1 3 377.360 3.565 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC000824929767 608205924 /nfs/dbraw/zinc/20/59/24/608205924.db2.gz YQHKXAWZHPYZKE-NQBHXWOUSA-N -1 3 379.917 3.553 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC000824929767 608205925 /nfs/dbraw/zinc/20/59/25/608205925.db2.gz YQHKXAWZHPYZKE-NQBHXWOUSA-N -1 3 379.917 3.553 20 0 GHADHM Clc1cccc(SCc2nc(CCc3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826353272 608206469 /nfs/dbraw/zinc/20/64/69/608206469.db2.gz ITCFPZZJJWOHNN-UHFFFAOYSA-N -1 3 398.879 3.981 20 0 GHADHM Clc1cccc(SCc2nc(CCc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826353272 608206470 /nfs/dbraw/zinc/20/64/70/608206470.db2.gz ITCFPZZJJWOHNN-UHFFFAOYSA-N -1 3 398.879 3.981 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826401436 608229603 /nfs/dbraw/zinc/22/96/03/608229603.db2.gz YOHVZGBPINTOFN-ONNFQVAWSA-N -1 3 384.443 3.552 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826401436 608229605 /nfs/dbraw/zinc/22/96/05/608229605.db2.gz YOHVZGBPINTOFN-ONNFQVAWSA-N -1 3 384.443 3.552 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(OCc2ccc(Oc3ccccc3)nn2)c1 ZINC000826351418 608231216 /nfs/dbraw/zinc/23/12/16/608231216.db2.gz LWJHLJASLZZFBQ-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(OCc2ccc(Oc3ccccc3)nn2)c1 ZINC000826351418 608231218 /nfs/dbraw/zinc/23/12/18/608231218.db2.gz LWJHLJASLZZFBQ-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1c(Cl)c(Cl)ccc1C(C)=O ZINC000826173285 608263840 /nfs/dbraw/zinc/26/38/40/608263840.db2.gz WGTWYECFHZQKAT-UHFFFAOYSA-N -1 3 393.230 3.964 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1c(Cl)c(Cl)ccc1C(C)=O ZINC000826173285 608263842 /nfs/dbraw/zinc/26/38/42/608263842.db2.gz WGTWYECFHZQKAT-UHFFFAOYSA-N -1 3 393.230 3.964 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(-c2sccc2C)o1 ZINC000826173578 608264560 /nfs/dbraw/zinc/26/45/60/608264560.db2.gz KNQPPULHOZMKRA-UHFFFAOYSA-N -1 3 386.462 3.588 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(-c2sccc2C)o1 ZINC000826173578 608264561 /nfs/dbraw/zinc/26/45/61/608264561.db2.gz KNQPPULHOZMKRA-UHFFFAOYSA-N -1 3 386.462 3.588 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc([C@@H]2CCCOC2)c1 ZINC000826460774 608264923 /nfs/dbraw/zinc/26/49/23/608264923.db2.gz RZEOSSQCMLWUOD-CQSZACIVSA-N -1 3 395.488 3.563 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc([C@@H]2CCCOC2)c1 ZINC000826460774 608264925 /nfs/dbraw/zinc/26/49/25/608264925.db2.gz RZEOSSQCMLWUOD-CQSZACIVSA-N -1 3 395.488 3.563 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1F ZINC000826288897 608265100 /nfs/dbraw/zinc/26/51/00/608265100.db2.gz BGSUSONJBZVHFQ-QMMMGPOBSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1F ZINC000826288897 608265101 /nfs/dbraw/zinc/26/51/01/608265101.db2.gz BGSUSONJBZVHFQ-QMMMGPOBSA-N -1 3 389.431 3.892 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC[C@@H]1C ZINC000824948352 608268964 /nfs/dbraw/zinc/26/89/64/608268964.db2.gz UNLYPTTWQBQHRR-KBPBESRZSA-N -1 3 393.451 3.564 20 0 GHADHM CCCCn1cc(CNc2ccc(-c3nn[n-]n3)cc2Br)c(C)n1 ZINC000825301868 608293951 /nfs/dbraw/zinc/29/39/51/608293951.db2.gz QZHMSEIRGPOGAO-UHFFFAOYSA-N -1 3 390.289 3.546 20 0 GHADHM CCCOc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000825339301 608296724 /nfs/dbraw/zinc/29/67/24/608296724.db2.gz VXAVFOYJNXCMHX-UHFFFAOYSA-N -1 3 390.394 3.572 20 0 GHADHM CCCOc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000825339301 608296725 /nfs/dbraw/zinc/29/67/25/608296725.db2.gz VXAVFOYJNXCMHX-UHFFFAOYSA-N -1 3 390.394 3.572 20 0 GHADHM O=C(C=C1CCSCC1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826400148 608304204 /nfs/dbraw/zinc/30/42/04/608304204.db2.gz QJIDXPOPXXVDAF-UHFFFAOYSA-N -1 3 391.500 3.603 20 0 GHADHM O=C(C=C1CCSCC1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826400148 608304205 /nfs/dbraw/zinc/30/42/05/608304205.db2.gz QJIDXPOPXXVDAF-UHFFFAOYSA-N -1 3 391.500 3.603 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccncc1Cl ZINC000826441164 608304213 /nfs/dbraw/zinc/30/42/13/608304213.db2.gz QRECQIQZCIMHPH-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccncc1Cl ZINC000826441164 608304214 /nfs/dbraw/zinc/30/42/14/608304214.db2.gz QRECQIQZCIMHPH-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM Cc1cncc(C=CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826318975 608305238 /nfs/dbraw/zinc/30/52/38/608305238.db2.gz JABWEQHENGLVNM-FLIBITNWSA-N -1 3 396.454 3.567 20 0 GHADHM Cc1cncc(C=CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826318975 608305240 /nfs/dbraw/zinc/30/52/40/608305240.db2.gz JABWEQHENGLVNM-FLIBITNWSA-N -1 3 396.454 3.567 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(SC)c2)c1-c1nnn[n-]1 ZINC000825686928 608305234 /nfs/dbraw/zinc/30/52/34/608305234.db2.gz BSPYMXLBGCQDMS-UHFFFAOYSA-N -1 3 377.470 3.912 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(F)c(SC)c2)c1-c1nn[n-]n1 ZINC000825686928 608305237 /nfs/dbraw/zinc/30/52/37/608305237.db2.gz BSPYMXLBGCQDMS-UHFFFAOYSA-N -1 3 377.470 3.912 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824119421 608308787 /nfs/dbraw/zinc/30/87/87/608308787.db2.gz IFUWOQNJEKMQHP-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824119421 608308789 /nfs/dbraw/zinc/30/87/89/608308789.db2.gz IFUWOQNJEKMQHP-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2csc(C)c2C)c1C ZINC000826331710 608309198 /nfs/dbraw/zinc/30/91/98/608309198.db2.gz VBLRGWZQNCQJKV-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824723275 608309438 /nfs/dbraw/zinc/30/94/38/608309438.db2.gz ONVKLSBRZLNGHD-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824723275 608309440 /nfs/dbraw/zinc/30/94/40/608309440.db2.gz ONVKLSBRZLNGHD-LIRRHRJNSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824520708 608312609 /nfs/dbraw/zinc/31/26/09/608312609.db2.gz BVWDWDMJFNLGKF-NEPJUHHUSA-N -1 3 389.381 3.808 20 0 GHADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824520708 608312611 /nfs/dbraw/zinc/31/26/11/608312611.db2.gz BVWDWDMJFNLGKF-NEPJUHHUSA-N -1 3 389.381 3.808 20 0 GHADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361700 608343298 /nfs/dbraw/zinc/34/32/98/608343298.db2.gz HJDQNQOQGMINII-SNVBAGLBSA-N -1 3 391.809 3.955 20 0 GHADHM CCN(C(=O)[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361700 608343301 /nfs/dbraw/zinc/34/33/01/608343301.db2.gz HJDQNQOQGMINII-SNVBAGLBSA-N -1 3 391.809 3.955 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366793 608343999 /nfs/dbraw/zinc/34/39/99/608343999.db2.gz FTBPKYOZHJAPTG-ZZXKWVIFSA-N -1 3 389.246 3.635 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366793 608344001 /nfs/dbraw/zinc/34/40/01/608344001.db2.gz FTBPKYOZHJAPTG-ZZXKWVIFSA-N -1 3 389.246 3.635 20 0 GHADHM C[C@@H](N(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1(C)CC1 ZINC000824464799 608358133 /nfs/dbraw/zinc/35/81/33/608358133.db2.gz KJWBWDQMSWGCCH-OAHLLOKOSA-N -1 3 390.491 3.864 20 0 GHADHM C[C@@H](N(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1(C)CC1 ZINC000824464799 608358135 /nfs/dbraw/zinc/35/81/35/608358135.db2.gz KJWBWDQMSWGCCH-OAHLLOKOSA-N -1 3 390.491 3.864 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337519 608399708 /nfs/dbraw/zinc/39/97/08/608399708.db2.gz RKGWWELYAABVCV-BXUZGUMPSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)n1[C@@H]1CCC[C@@H](C)C1 ZINC000826337519 608399709 /nfs/dbraw/zinc/39/97/09/608399709.db2.gz RKGWWELYAABVCV-BXUZGUMPSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1cccc(-c2noc(CSCc3cccc(-c4nnn[n-]4)c3F)n2)c1 ZINC000826295461 608404009 /nfs/dbraw/zinc/40/40/09/608404009.db2.gz IKPFBRUIFDMPKY-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cccc(-c2noc(CSCc3cccc(-c4nn[n-]n4)c3F)n2)c1 ZINC000826295461 608404011 /nfs/dbraw/zinc/40/40/11/608404011.db2.gz IKPFBRUIFDMPKY-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826355294 608406623 /nfs/dbraw/zinc/40/66/23/608406623.db2.gz SCYKOSLEFUHUAO-SFHVURJKSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826355294 608406625 /nfs/dbraw/zinc/40/66/25/608406625.db2.gz SCYKOSLEFUHUAO-SFHVURJKSA-N -1 3 391.454 3.620 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cc(F)ccc1F ZINC000824613041 608437788 /nfs/dbraw/zinc/43/77/88/608437788.db2.gz RBEUMGYIJSPTAQ-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cc(F)ccc1F ZINC000824613041 608437790 /nfs/dbraw/zinc/43/77/90/608437790.db2.gz RBEUMGYIJSPTAQ-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000825829943 608460156 /nfs/dbraw/zinc/46/01/56/608460156.db2.gz LLIHYBILIGYDHL-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000825829943 608460159 /nfs/dbraw/zinc/46/01/59/608460159.db2.gz LLIHYBILIGYDHL-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM C[C@H](NCc1c(F)cccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000824607522 608462785 /nfs/dbraw/zinc/46/27/85/608462785.db2.gz ZMYYFMFTEJVYIN-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM c1csc(-c2cnc(CN3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)o2)c1 ZINC000823868345 608465126 /nfs/dbraw/zinc/46/51/26/608465126.db2.gz XBZDKILVLBHNGQ-UHFFFAOYSA-N -1 3 390.472 3.873 20 0 GHADHM c1csc(-c2cnc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)o2)c1 ZINC000823868345 608465128 /nfs/dbraw/zinc/46/51/28/608465128.db2.gz XBZDKILVLBHNGQ-UHFFFAOYSA-N -1 3 390.472 3.873 20 0 GHADHM CCO[C@H](C)c1nc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000825577777 608465822 /nfs/dbraw/zinc/46/58/22/608465822.db2.gz ZXUVTSIJGSCTSH-CQSZACIVSA-N -1 3 396.520 3.710 20 0 GHADHM CCO[C@H](C)c1nc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000825577777 608465823 /nfs/dbraw/zinc/46/58/23/608465823.db2.gz ZXUVTSIJGSCTSH-CQSZACIVSA-N -1 3 396.520 3.710 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826457221 608471747 /nfs/dbraw/zinc/47/17/47/608471747.db2.gz RPFLYKJEAVZFNG-UHFFFAOYSA-N -1 3 385.431 3.669 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826457221 608471749 /nfs/dbraw/zinc/47/17/49/608471749.db2.gz RPFLYKJEAVZFNG-UHFFFAOYSA-N -1 3 385.431 3.669 20 0 GHADHM O=C(NCCC1=CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826436343 608474263 /nfs/dbraw/zinc/47/42/63/608474263.db2.gz QKHKKEHZYZWPAD-UHFFFAOYSA-N -1 3 378.480 3.556 20 0 GHADHM O=C(NCCC1=CCCCC1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826436343 608474266 /nfs/dbraw/zinc/47/42/66/608474266.db2.gz QKHKKEHZYZWPAD-UHFFFAOYSA-N -1 3 378.480 3.556 20 0 GHADHM CC(C)Oc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000824324146 608478139 /nfs/dbraw/zinc/47/81/39/608478139.db2.gz IHPPNACXKXDLSS-UHFFFAOYSA-N -1 3 389.459 3.583 20 0 GHADHM CC(C)Oc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000824324146 608478141 /nfs/dbraw/zinc/47/81/41/608478141.db2.gz IHPPNACXKXDLSS-UHFFFAOYSA-N -1 3 389.459 3.583 20 0 GHADHM Cc1cccc(C2(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)CC2)c1 ZINC000826297262 608480586 /nfs/dbraw/zinc/48/05/86/608480586.db2.gz ZZNGROZNCUSQKJ-UHFFFAOYSA-N -1 3 385.471 3.523 20 0 GHADHM Cc1cccc(C2(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)CC2)c1 ZINC000826297262 608480587 /nfs/dbraw/zinc/48/05/87/608480587.db2.gz ZZNGROZNCUSQKJ-UHFFFAOYSA-N -1 3 385.471 3.523 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(Cc2ccccc2)CC1 ZINC000826425836 608481101 /nfs/dbraw/zinc/48/11/01/608481101.db2.gz VZLUJHYPLFNIFU-UHFFFAOYSA-N -1 3 385.471 3.505 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(Cc2ccccc2)CC1 ZINC000826425836 608481103 /nfs/dbraw/zinc/48/11/03/608481103.db2.gz VZLUJHYPLFNIFU-UHFFFAOYSA-N -1 3 385.471 3.505 20 0 GHADHM O=C(Nc1c(F)cc(Cl)cc1F)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826450332 608511315 /nfs/dbraw/zinc/51/13/15/608511315.db2.gz HETIDSSKOCSBNR-UHFFFAOYSA-N -1 3 390.781 3.609 20 0 GHADHM O=C(Nc1c(F)cc(Cl)cc1F)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826450332 608511316 /nfs/dbraw/zinc/51/13/16/608511316.db2.gz HETIDSSKOCSBNR-UHFFFAOYSA-N -1 3 390.781 3.609 20 0 GHADHM C[C@H](N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547118 608517214 /nfs/dbraw/zinc/51/72/14/608517214.db2.gz MPUGTUWETJIMSS-UGSOOPFHSA-N -1 3 387.447 3.645 20 0 GHADHM C[C@H](N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1noc(-c2ccccc2)n1 ZINC000824547118 608517216 /nfs/dbraw/zinc/51/72/16/608517216.db2.gz MPUGTUWETJIMSS-UGSOOPFHSA-N -1 3 387.447 3.645 20 0 GHADHM Clc1ccc(-c2cnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)cc1 ZINC000826351276 608532767 /nfs/dbraw/zinc/53/27/67/608532767.db2.gz GHQFXUIZULCIQD-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Clc1ccc(-c2cnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)cc1 ZINC000826351276 608532769 /nfs/dbraw/zinc/53/27/69/608532769.db2.gz GHQFXUIZULCIQD-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM CCc1ccc(C(C)(C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000825704004 608538278 /nfs/dbraw/zinc/53/82/78/608538278.db2.gz BCPALIYGTOGLNK-UHFFFAOYSA-N -1 3 389.463 3.504 20 0 GHADHM CCc1ccc(C(C)(C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000825704004 608538279 /nfs/dbraw/zinc/53/82/79/608538279.db2.gz BCPALIYGTOGLNK-UHFFFAOYSA-N -1 3 389.463 3.504 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cccc2ccc(C)nc21 ZINC000826167415 608539828 /nfs/dbraw/zinc/53/98/28/608539828.db2.gz COVJZZYKRXVKDU-UHFFFAOYSA-N -1 3 395.806 3.605 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cccc2ccc(C)nc21 ZINC000826167415 608539830 /nfs/dbraw/zinc/53/98/30/608539830.db2.gz COVJZZYKRXVKDU-UHFFFAOYSA-N -1 3 395.806 3.605 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000824334173 608574844 /nfs/dbraw/zinc/57/48/44/608574844.db2.gz QFBDTRVRHXAMBD-LBPRGKRZSA-N -1 3 385.855 3.798 20 0 GHADHM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000824334173 608574845 /nfs/dbraw/zinc/57/48/45/608574845.db2.gz QFBDTRVRHXAMBD-LBPRGKRZSA-N -1 3 385.855 3.798 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826300350 608575855 /nfs/dbraw/zinc/57/58/55/608575855.db2.gz RLXQZXMKXGHPDO-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826300350 608575856 /nfs/dbraw/zinc/57/58/56/608575856.db2.gz RLXQZXMKXGHPDO-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCc1cccs1 ZINC000824255639 608760661 /nfs/dbraw/zinc/76/06/61/608760661.db2.gz RGDGRKVHIQYUIM-UHFFFAOYSA-N -1 3 398.536 3.729 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCc1cccs1 ZINC000824255639 608760662 /nfs/dbraw/zinc/76/06/62/608760662.db2.gz RGDGRKVHIQYUIM-UHFFFAOYSA-N -1 3 398.536 3.729 20 0 GHADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1ccccc1N1CCCCCC1 ZINC000826521953 608861672 /nfs/dbraw/zinc/86/16/72/608861672.db2.gz FOVPGVMJHYQAOU-UHFFFAOYSA-N -1 3 388.479 3.507 20 0 GHADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1ccccc1N1CCCCCC1 ZINC000826521953 608861675 /nfs/dbraw/zinc/86/16/75/608861675.db2.gz FOVPGVMJHYQAOU-UHFFFAOYSA-N -1 3 388.479 3.507 20 0 GHADHM CCOc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(F)(F)F ZINC000825615958 608868451 /nfs/dbraw/zinc/86/84/51/608868451.db2.gz QQRILKVRZOECHX-UHFFFAOYSA-N -1 3 393.369 3.819 20 0 GHADHM C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824537365 609137913 /nfs/dbraw/zinc/13/79/13/609137913.db2.gz DTBWTTHGPUTADK-SJKOYZFVSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824537365 609137915 /nfs/dbraw/zinc/13/79/15/609137915.db2.gz DTBWTTHGPUTADK-SJKOYZFVSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824537362 609138040 /nfs/dbraw/zinc/13/80/40/609138040.db2.gz DTBWTTHGPUTADK-SJCJKPOMSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824537362 609138041 /nfs/dbraw/zinc/13/80/41/609138041.db2.gz DTBWTTHGPUTADK-SJCJKPOMSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824721710 609143679 /nfs/dbraw/zinc/14/36/79/609143679.db2.gz CSOOBCAKYDPRSK-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824721710 609143681 /nfs/dbraw/zinc/14/36/81/609143681.db2.gz CSOOBCAKYDPRSK-KUHUBIRLSA-N -1 3 378.432 3.679 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826213645 609145369 /nfs/dbraw/zinc/14/53/69/609145369.db2.gz FSBROOLBYQXZET-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826213645 609145370 /nfs/dbraw/zinc/14/53/70/609145370.db2.gz FSBROOLBYQXZET-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824907747 609158944 /nfs/dbraw/zinc/15/89/44/609158944.db2.gz KADBSGKKNLVUCA-PSASIEDQSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824907747 609158946 /nfs/dbraw/zinc/15/89/46/609158946.db2.gz KADBSGKKNLVUCA-PSASIEDQSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824907749 609159222 /nfs/dbraw/zinc/15/92/22/609159222.db2.gz KADBSGKKNLVUCA-WCBMZHEXSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824907749 609159225 /nfs/dbraw/zinc/15/92/25/609159225.db2.gz KADBSGKKNLVUCA-WCBMZHEXSA-N -1 3 388.781 3.715 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826233596 609168353 /nfs/dbraw/zinc/16/83/53/609168353.db2.gz NPWCITGBOAAPCL-QGZVFWFLSA-N -1 3 394.479 3.562 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826233596 609168355 /nfs/dbraw/zinc/16/83/55/609168355.db2.gz NPWCITGBOAAPCL-QGZVFWFLSA-N -1 3 394.479 3.562 20 0 GHADHM COc1nc(C)ccc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826221472 609173987 /nfs/dbraw/zinc/17/39/87/609173987.db2.gz HNCCRRXKKBJNSY-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1nc(C)ccc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826221472 609173989 /nfs/dbraw/zinc/17/39/89/609173989.db2.gz HNCCRRXKKBJNSY-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000825480696 609177880 /nfs/dbraw/zinc/17/78/80/609177880.db2.gz GVSRWFSTFXPGSI-UHFFFAOYSA-N -1 3 396.842 3.614 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000825481362 609179631 /nfs/dbraw/zinc/17/96/31/609179631.db2.gz XZGBAHFGFIESTQ-UHFFFAOYSA-N -1 3 396.842 3.614 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nnn[n-]3)c2)nn1-c1cccc(Cl)c1 ZINC000826271142 609180896 /nfs/dbraw/zinc/18/08/96/609180896.db2.gz FLKVQSDWLUUMOG-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)nn1-c1cccc(Cl)c1 ZINC000826271142 609180898 /nfs/dbraw/zinc/18/08/98/609180898.db2.gz FLKVQSDWLUUMOG-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000824347959 609189094 /nfs/dbraw/zinc/18/90/94/609189094.db2.gz UXPPVJGPWLBYHB-PMACEKPBSA-N -1 3 393.491 3.537 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000824347959 609189095 /nfs/dbraw/zinc/18/90/95/609189095.db2.gz UXPPVJGPWLBYHB-PMACEKPBSA-N -1 3 393.491 3.537 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824770774 609203829 /nfs/dbraw/zinc/20/38/29/609203829.db2.gz MHDWVZAGMUNTOR-CYBMUJFWSA-N -1 3 378.461 3.660 20 0 GHADHM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824770774 609203831 /nfs/dbraw/zinc/20/38/31/609203831.db2.gz MHDWVZAGMUNTOR-CYBMUJFWSA-N -1 3 378.461 3.660 20 0 GHADHM CC(C)[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824198789 609241588 /nfs/dbraw/zinc/24/15/88/609241588.db2.gz DYNXYPCQAWRLLB-OAQYLSRUSA-N -1 3 392.507 3.637 20 0 GHADHM CC(C)[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824198789 609241589 /nfs/dbraw/zinc/24/15/89/609241589.db2.gz DYNXYPCQAWRLLB-OAQYLSRUSA-N -1 3 392.507 3.637 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cccc(Oc2cccnc2)c1 ZINC000826402120 609257611 /nfs/dbraw/zinc/25/76/11/609257611.db2.gz NKIAIECLFRBHCI-KHPPLWFESA-N -1 3 385.383 3.673 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cccc(Oc2cccnc2)c1 ZINC000826402120 609257614 /nfs/dbraw/zinc/25/76/14/609257614.db2.gz NKIAIECLFRBHCI-KHPPLWFESA-N -1 3 385.383 3.673 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1C(=O)N1CCCC1 ZINC000826242549 609277238 /nfs/dbraw/zinc/27/72/38/609277238.db2.gz TZKABVANDTUOGG-OAHLLOKOSA-N -1 3 376.464 3.584 20 0 GHADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1C(=O)N1CCCC1 ZINC000826242549 609277240 /nfs/dbraw/zinc/27/72/40/609277240.db2.gz TZKABVANDTUOGG-OAHLLOKOSA-N -1 3 376.464 3.584 20 0 GHADHM c1cc(N2CCCCC2)ncc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826516959 609280534 /nfs/dbraw/zinc/28/05/34/609280534.db2.gz KAQBCMVMTPZZDA-IBGZPJMESA-N -1 3 375.480 3.742 20 0 GHADHM Cc1csc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826321253 609303071 /nfs/dbraw/zinc/30/30/71/609303071.db2.gz XKAGGVQCUOHWLZ-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1csc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826321253 609303072 /nfs/dbraw/zinc/30/30/72/609303072.db2.gz XKAGGVQCUOHWLZ-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1nnc(SCc2cc3ccccc3nc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337124 609304864 /nfs/dbraw/zinc/30/48/64/609304864.db2.gz CICOJBVYHKVVSO-UHFFFAOYSA-N -1 3 383.868 3.767 20 0 GHADHM Cc1nnc(SCc2cc3ccccc3nc2Cl)c(-c2nn[n-]n2)c1C ZINC000826337124 609304866 /nfs/dbraw/zinc/30/48/66/609304866.db2.gz CICOJBVYHKVVSO-UHFFFAOYSA-N -1 3 383.868 3.767 20 0 GHADHM CC(C)(C)c1nnc(SCc2ccc(-c3nnn[n-]3)cc2Br)o1 ZINC000824142867 609308920 /nfs/dbraw/zinc/30/89/20/609308920.db2.gz YRIJLOZWMNVODN-UHFFFAOYSA-N -1 3 395.286 3.602 20 0 GHADHM CC(C)(C)c1nnc(SCc2ccc(-c3nn[n-]n3)cc2Br)o1 ZINC000824142867 609308922 /nfs/dbraw/zinc/30/89/22/609308922.db2.gz YRIJLOZWMNVODN-UHFFFAOYSA-N -1 3 395.286 3.602 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCO1 ZINC000825108598 609322219 /nfs/dbraw/zinc/32/22/19/609322219.db2.gz XRIYDJJJPNBMIU-AAEUAGOBSA-N -1 3 384.406 3.676 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCO1 ZINC000825108598 609322220 /nfs/dbraw/zinc/32/22/20/609322220.db2.gz XRIYDJJJPNBMIU-AAEUAGOBSA-N -1 3 384.406 3.676 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824906713 609325269 /nfs/dbraw/zinc/32/52/69/609325269.db2.gz DGMHNMKVBDCJAK-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824906713 609325273 /nfs/dbraw/zinc/32/52/73/609325273.db2.gz DGMHNMKVBDCJAK-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826224345 609325765 /nfs/dbraw/zinc/32/57/65/609325765.db2.gz ASKNPJVOYIDSNO-UHFFFAOYSA-N -1 3 383.477 3.530 20 0 GHADHM CSC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826224345 609325766 /nfs/dbraw/zinc/32/57/66/609325766.db2.gz ASKNPJVOYIDSNO-UHFFFAOYSA-N -1 3 383.477 3.530 20 0 GHADHM C[C@@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824625740 609326201 /nfs/dbraw/zinc/32/62/01/609326201.db2.gz JUHZDECRFULVJY-CYBMUJFWSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@@H](NCc1cccnc1OC1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824625740 609326203 /nfs/dbraw/zinc/32/62/03/609326203.db2.gz JUHZDECRFULVJY-CYBMUJFWSA-N -1 3 382.443 3.573 20 0 GHADHM C[C@H](NCc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626646 609327761 /nfs/dbraw/zinc/32/77/61/609327761.db2.gz QGSGZGZWDRWCOH-NSHDSACASA-N -1 3 395.360 3.798 20 0 GHADHM CC(C)n1ccc(CSCc2ccc(-c3nnn[n-]3)cc2Br)n1 ZINC000824371741 609329073 /nfs/dbraw/zinc/32/90/73/609329073.db2.gz QIQPYNULZVWVFG-UHFFFAOYSA-N -1 3 393.314 3.840 20 0 GHADHM CC(C)n1ccc(CSCc2ccc(-c3nn[n-]n3)cc2Br)n1 ZINC000824371741 609329075 /nfs/dbraw/zinc/32/90/75/609329075.db2.gz QIQPYNULZVWVFG-UHFFFAOYSA-N -1 3 393.314 3.840 20 0 GHADHM C[C@H](NCc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617277 609329207 /nfs/dbraw/zinc/32/92/07/609329207.db2.gz FYWLELWWIKCWOA-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000824617277 609329208 /nfs/dbraw/zinc/32/92/08/609329208.db2.gz FYWLELWWIKCWOA-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM Cc1nc(CSCc2ccc(-c3nnn[n-]3)cc2Br)cs1 ZINC000826326205 609329503 /nfs/dbraw/zinc/32/95/03/609329503.db2.gz GDGWVUPEOTTXOX-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM Cc1nc(CSCc2ccc(-c3nn[n-]n3)cc2Br)cs1 ZINC000826326205 609329505 /nfs/dbraw/zinc/32/95/05/609329505.db2.gz GDGWVUPEOTTXOX-UHFFFAOYSA-N -1 3 382.312 3.828 20 0 GHADHM C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539278 609331542 /nfs/dbraw/zinc/33/15/42/609331542.db2.gz MKLQCMCOHZXIDZ-SJKOYZFVSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539278 609331545 /nfs/dbraw/zinc/33/15/45/609331545.db2.gz MKLQCMCOHZXIDZ-SJKOYZFVSA-N -1 3 380.452 3.903 20 0 GHADHM Cc1ccc(Cl)c(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826288614 609343063 /nfs/dbraw/zinc/34/30/63/609343063.db2.gz PJMVVTDKBDCGMN-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1ccc(Cl)c(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826288614 609343065 /nfs/dbraw/zinc/34/30/65/609343065.db2.gz PJMVVTDKBDCGMN-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826210148 609349740 /nfs/dbraw/zinc/34/97/40/609349740.db2.gz GKJJNSZHKGDYQH-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826210148 609349742 /nfs/dbraw/zinc/34/97/42/609349742.db2.gz GKJJNSZHKGDYQH-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000824522809 609363583 /nfs/dbraw/zinc/36/35/83/609363583.db2.gz VRIBGLOQRPQCPT-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000824522809 609363586 /nfs/dbraw/zinc/36/35/86/609363586.db2.gz VRIBGLOQRPQCPT-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1cc(F)ccc1F ZINC000824613921 609368114 /nfs/dbraw/zinc/36/81/14/609368114.db2.gz YJLYHMSKIRKILM-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1cc(F)ccc1F ZINC000824613921 609368117 /nfs/dbraw/zinc/36/81/17/609368117.db2.gz YJLYHMSKIRKILM-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)C1CC1 ZINC000826111738 609373455 /nfs/dbraw/zinc/37/34/55/609373455.db2.gz LIXHTZAWRPNOCS-KRWDZBQOSA-N -1 3 399.838 3.676 20 0 GHADHM COC(=O)[C@@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)C1CC1 ZINC000826111738 609373458 /nfs/dbraw/zinc/37/34/58/609373458.db2.gz LIXHTZAWRPNOCS-KRWDZBQOSA-N -1 3 399.838 3.676 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499428 609378385 /nfs/dbraw/zinc/37/83/85/609378385.db2.gz PELPODRKCFICGE-GWCFXTLKSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499428 609378387 /nfs/dbraw/zinc/37/83/87/609378387.db2.gz PELPODRKCFICGE-GWCFXTLKSA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@@H]1F ZINC000824948383 609380797 /nfs/dbraw/zinc/38/07/97/609380797.db2.gz USFQFRGTZFJNBI-UGSOOPFHSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@@H]1F ZINC000824948383 609380799 /nfs/dbraw/zinc/38/07/99/609380799.db2.gz USFQFRGTZFJNBI-UGSOOPFHSA-N -1 3 396.426 3.871 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000825687410 609383271 /nfs/dbraw/zinc/38/32/71/609383271.db2.gz IZRJVEPUDNYAKB-OCCSQVGLSA-N -1 3 377.514 3.579 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000825687410 609383273 /nfs/dbraw/zinc/38/32/73/609383273.db2.gz IZRJVEPUDNYAKB-OCCSQVGLSA-N -1 3 377.514 3.579 20 0 GHADHM O=C(OC[C@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826462859 609389206 /nfs/dbraw/zinc/38/92/06/609389206.db2.gz LDRHGRFHEUUVSA-CYBMUJFWSA-N -1 3 382.445 3.569 20 0 GHADHM O=C(OC[C@H]1CCSC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826462859 609389207 /nfs/dbraw/zinc/38/92/07/609389207.db2.gz LDRHGRFHEUUVSA-CYBMUJFWSA-N -1 3 382.445 3.569 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CC2(C1)CC(F)(F)C2 ZINC000826474157 609391278 /nfs/dbraw/zinc/39/12/78/609391278.db2.gz CXHSUJIMZCMECQ-UHFFFAOYSA-N -1 3 397.385 3.530 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CC2(C1)CC(F)(F)C2 ZINC000826474157 609391280 /nfs/dbraw/zinc/39/12/80/609391280.db2.gz CXHSUJIMZCMECQ-UHFFFAOYSA-N -1 3 397.385 3.530 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000824953174 609394806 /nfs/dbraw/zinc/39/48/06/609394806.db2.gz CKDVBKVVEXOOKI-LSDHHAIUSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000824953174 609394808 /nfs/dbraw/zinc/39/48/08/609394808.db2.gz CKDVBKVVEXOOKI-LSDHHAIUSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824952772 609401189 /nfs/dbraw/zinc/40/11/89/609401189.db2.gz ASNAVOIUPMBBRH-CXAGYDPISA-N -1 3 397.479 3.838 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824952772 609401190 /nfs/dbraw/zinc/40/11/90/609401190.db2.gz ASNAVOIUPMBBRH-CXAGYDPISA-N -1 3 397.479 3.838 20 0 GHADHM CC(C)[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC000824192895 609407049 /nfs/dbraw/zinc/40/70/49/609407049.db2.gz OFLPSOWJZGTPHY-SFHVURJKSA-N -1 3 387.846 3.715 20 0 GHADHM CC(C)[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC000824192895 609407051 /nfs/dbraw/zinc/40/70/51/609407051.db2.gz OFLPSOWJZGTPHY-SFHVURJKSA-N -1 3 387.846 3.715 20 0 GHADHM Cc1ccc(-c2noc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000826280979 609427602 /nfs/dbraw/zinc/42/76/02/609427602.db2.gz YIFASXMXLGEUTO-UHFFFAOYSA-N -1 3 385.431 3.519 20 0 GHADHM Cc1ccc(-c2noc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000826280979 609427604 /nfs/dbraw/zinc/42/76/04/609427604.db2.gz YIFASXMXLGEUTO-UHFFFAOYSA-N -1 3 385.431 3.519 20 0 GHADHM O=C(Nc1cccc(CCCO)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826456688 609429105 /nfs/dbraw/zinc/42/91/05/609429105.db2.gz RZRBYITVDCVTJO-UHFFFAOYSA-N -1 3 399.454 3.711 20 0 GHADHM O=C(Nc1cccc(CCCO)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826456688 609429107 /nfs/dbraw/zinc/42/91/07/609429107.db2.gz RZRBYITVDCVTJO-UHFFFAOYSA-N -1 3 399.454 3.711 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826455001 609442879 /nfs/dbraw/zinc/44/28/79/609442879.db2.gz VGBXUXWPBGUOAC-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826455001 609442881 /nfs/dbraw/zinc/44/28/81/609442881.db2.gz VGBXUXWPBGUOAC-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM CCc1noc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000825771749 609450280 /nfs/dbraw/zinc/45/02/80/609450280.db2.gz PLTZGVPVRJBNKU-KBPBESRZSA-N -1 3 389.463 3.891 20 0 GHADHM CCc1noc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825771749 609450281 /nfs/dbraw/zinc/45/02/81/609450281.db2.gz PLTZGVPVRJBNKU-KBPBESRZSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000824099838 609477730 /nfs/dbraw/zinc/47/77/30/609477730.db2.gz JNFYSZTZGHNESU-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000824099838 609477732 /nfs/dbraw/zinc/47/77/32/609477732.db2.gz JNFYSZTZGHNESU-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826332896 609480151 /nfs/dbraw/zinc/48/01/51/609480151.db2.gz LWKKQPKTQVVJPH-UHFFFAOYSA-N -1 3 389.463 3.760 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826332896 609480153 /nfs/dbraw/zinc/48/01/53/609480153.db2.gz LWKKQPKTQVVJPH-UHFFFAOYSA-N -1 3 389.463 3.760 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000825552924 609487412 /nfs/dbraw/zinc/48/74/12/609487412.db2.gz FYHLSIGUWDAEQK-UHFFFAOYSA-N -1 3 378.392 3.793 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000825552924 609487415 /nfs/dbraw/zinc/48/74/15/609487415.db2.gz FYHLSIGUWDAEQK-UHFFFAOYSA-N -1 3 378.392 3.793 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ccccc1 ZINC000826232114 609488780 /nfs/dbraw/zinc/48/87/80/609488780.db2.gz NZFWVAAYHSPMHE-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccccc1 ZINC000826232114 609488781 /nfs/dbraw/zinc/48/87/81/609488781.db2.gz NZFWVAAYHSPMHE-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccccc2C2CC2)cc1-c1nnn[n-]1 ZINC000825552738 609490534 /nfs/dbraw/zinc/49/05/34/609490534.db2.gz DHGRLHCAASECJJ-UHFFFAOYSA-N -1 3 378.436 3.925 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccccc2C2CC2)cc1-c1nn[n-]n1 ZINC000825552738 609490535 /nfs/dbraw/zinc/49/05/35/609490535.db2.gz DHGRLHCAASECJJ-UHFFFAOYSA-N -1 3 378.436 3.925 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Cl)c(OC(F)F)c1 ZINC000826170729 609513041 /nfs/dbraw/zinc/51/30/41/609513041.db2.gz NDLCTEADWIPOSW-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Cl)c(OC(F)F)c1 ZINC000826170729 609513042 /nfs/dbraw/zinc/51/30/42/609513042.db2.gz NDLCTEADWIPOSW-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCCCc2c(Br)cccc21 ZINC000826473503 609513618 /nfs/dbraw/zinc/51/36/18/609513618.db2.gz AMQKTHCSRSOQSZ-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCCCc2c(Br)cccc21 ZINC000826473503 609513621 /nfs/dbraw/zinc/51/36/21/609513621.db2.gz AMQKTHCSRSOQSZ-UHFFFAOYSA-N -1 3 398.264 3.612 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825254530 609524805 /nfs/dbraw/zinc/52/48/05/609524805.db2.gz TXGIXOWTUTYLJY-CVEARBPZSA-N -1 3 395.463 3.588 20 0 GHADHM CCC[C@H]1C[C@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825254530 609524807 /nfs/dbraw/zinc/52/48/07/609524807.db2.gz TXGIXOWTUTYLJY-CVEARBPZSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000826238385 609528726 /nfs/dbraw/zinc/52/87/26/609528726.db2.gz FGGDNJTUEQNJLC-SECBINFHSA-N -1 3 380.786 3.998 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826238385 609528729 /nfs/dbraw/zinc/52/87/29/609528729.db2.gz FGGDNJTUEQNJLC-SECBINFHSA-N -1 3 380.786 3.998 20 0 GHADHM Clc1ccccc1-c1csc(NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826353334 609532171 /nfs/dbraw/zinc/53/21/71/609532171.db2.gz LDSCGHJHAKJJTL-UHFFFAOYSA-N -1 3 398.883 3.563 20 0 GHADHM Clc1ccccc1-c1csc(NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000826353334 609532173 /nfs/dbraw/zinc/53/21/73/609532173.db2.gz LDSCGHJHAKJJTL-UHFFFAOYSA-N -1 3 398.883 3.563 20 0 GHADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000825148736 609563042 /nfs/dbraw/zinc/56/30/42/609563042.db2.gz SUWSZWILLKLMRJ-CYBMUJFWSA-N -1 3 386.843 3.558 20 0 GHADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000825148736 609563045 /nfs/dbraw/zinc/56/30/45/609563045.db2.gz SUWSZWILLKLMRJ-CYBMUJFWSA-N -1 3 386.843 3.558 20 0 GHADHM CCOCCC1(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC000825589145 609620183 /nfs/dbraw/zinc/62/01/83/609620183.db2.gz AQTLROPHOGNPNB-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM CCOCCC1(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC000825589145 609620184 /nfs/dbraw/zinc/62/01/84/609620184.db2.gz AQTLROPHOGNPNB-UHFFFAOYSA-N -1 3 378.860 3.550 20 0 GHADHM O=C(CCCCOc1ccc(Br)cc1)[N-]OCCC(F)(F)F ZINC000162751122 837411061 /nfs/dbraw/zinc/41/10/61/837411061.db2.gz QGEACTVMNAIEIK-UHFFFAOYSA-N -1 3 384.192 3.998 20 0 GHADHM COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000613228508 837418486 /nfs/dbraw/zinc/41/84/86/837418486.db2.gz NIJUMWSRDWRGMH-UHFFFAOYSA-N -1 3 382.504 3.791 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1coc(C2CCC2)n1 ZINC000683528160 837431995 /nfs/dbraw/zinc/43/19/95/837431995.db2.gz VXTJFEPSBZIOPF-UHFFFAOYSA-N -1 3 377.326 3.998 20 0 GHADHM COc1cc(C(=O)NC(C)(C)c2ccccc2Br)cc(OC)c1[O-] ZINC000186958462 837504216 /nfs/dbraw/zinc/50/42/16/837504216.db2.gz FGPASQXCINXRPN-UHFFFAOYSA-N -1 3 394.265 3.837 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCCO1 ZINC000655664004 837560487 /nfs/dbraw/zinc/56/04/87/837560487.db2.gz CYGJGSRWDYLFFV-CHWSQXEVSA-N -1 3 396.734 3.729 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)Cc1cc(Br)ccc1F ZINC001167294038 837674758 /nfs/dbraw/zinc/67/47/58/837674758.db2.gz GEBAWTLYXYJXST-UHFFFAOYSA-N -1 3 392.228 3.976 20 0 GHADHM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320546 837680659 /nfs/dbraw/zinc/68/06/59/837680659.db2.gz HDAXGPWYVDQGRV-UHFFFAOYSA-N -1 3 383.345 3.846 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Cl)c(Br)c1 ZINC000636320783 837684570 /nfs/dbraw/zinc/68/45/70/837684570.db2.gz SYAPVUBRKSKNHH-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000613349126 837698050 /nfs/dbraw/zinc/69/80/50/837698050.db2.gz BKPXHJQAIAJLDV-INIZCTEOSA-N -1 3 399.871 3.698 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c1C ZINC000414399366 837750233 /nfs/dbraw/zinc/75/02/33/837750233.db2.gz SKUKPAAOQQMKNT-UHFFFAOYSA-N -1 3 378.469 3.562 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Cl)cc1[O-] ZINC000153539590 834357004 /nfs/dbraw/zinc/35/70/04/834357004.db2.gz XPAXAYYHXAZXQU-UHFFFAOYSA-N -1 3 377.809 3.529 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)Nc1cccc2ccccc21 ZINC000583546586 834615993 /nfs/dbraw/zinc/61/59/93/834615993.db2.gz ZUBUJPVOUVWGLM-OAHLLOKOSA-N -1 3 396.459 3.523 20 0 GHADHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(CC)c1[O-] ZINC000093918594 834710604 /nfs/dbraw/zinc/71/06/04/834710604.db2.gz FRSKAXBKWVHJIR-UHFFFAOYSA-N -1 3 394.393 3.863 20 0 GHADHM CCn1cnnc1-c1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094013449 834711638 /nfs/dbraw/zinc/71/16/38/834711638.db2.gz JPZDNAFEOVYBMU-UHFFFAOYSA-N -1 3 378.432 3.636 20 0 GHADHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000157130410 834767568 /nfs/dbraw/zinc/76/75/68/834767568.db2.gz ULRMYCGAWFRSKA-LBPRGKRZSA-N -1 3 389.308 3.522 20 0 GHADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3nnc(-c4ccsc4)s3)nn2)c1 ZINC000448103237 834865831 /nfs/dbraw/zinc/86/58/31/834865831.db2.gz PXGQTQQWZXOZMQ-UHFFFAOYSA-N -1 3 386.437 3.547 20 0 GHADHM CC(C)C[C@H](N)c1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000583692936 834874739 /nfs/dbraw/zinc/87/47/39/834874739.db2.gz OROLVWXBYWOSJF-KRWDZBQOSA-N -1 3 386.477 3.583 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000683172056 834909004 /nfs/dbraw/zinc/90/90/04/834909004.db2.gz UXWXDHQOIDTPIX-HNNXBMFYSA-N -1 3 381.375 3.611 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000683171398 834911064 /nfs/dbraw/zinc/91/10/64/834911064.db2.gz JOERHAHVOJSSRE-NHCUHLMSSA-N -1 3 385.460 3.559 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(OC(F)F)c1)c1cccc(Br)c1 ZINC000683173182 834912827 /nfs/dbraw/zinc/91/28/27/834912827.db2.gz FZNWVTNWPBVEEF-CQSZACIVSA-N -1 3 386.192 3.966 20 0 GHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000683172365 834914859 /nfs/dbraw/zinc/91/48/59/834914859.db2.gz XFHDGWIYHVBMNR-QGZVFWFLSA-N -1 3 383.366 3.942 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511279688 834967981 /nfs/dbraw/zinc/96/79/81/834967981.db2.gz WQWFHOLIBHMXRC-UHFFFAOYSA-N -1 3 397.232 3.734 20 0 GHADHM O=C(Nc1ccc2nc[nH]c2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000511294581 835073070 /nfs/dbraw/zinc/07/30/70/835073070.db2.gz GCYMFJBZQDJUOF-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3c4ccc(F)cc4O[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000562105235 835107880 /nfs/dbraw/zinc/10/78/80/835107880.db2.gz LNSVPQLPFJJMLL-BIBXISHDSA-N -1 3 394.406 3.940 20 0 GHADHM O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1[O-] ZINC000021386807 835142406 /nfs/dbraw/zinc/14/24/06/835142406.db2.gz XMPZTBABTNGBJS-UHFFFAOYSA-N -1 3 389.786 3.696 20 0 GHADHM O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655159583 835321485 /nfs/dbraw/zinc/32/14/85/835321485.db2.gz JMSZLXHYKLTKHQ-HNNXBMFYSA-N -1 3 394.328 3.713 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCc2ccc(F)c(Br)c2C1 ZINC001167680493 835396990 /nfs/dbraw/zinc/39/69/90/835396990.db2.gz REUCJAQEXXJJKJ-UHFFFAOYSA-N -1 3 382.204 3.560 20 0 GHADHM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000728582544 835479372 /nfs/dbraw/zinc/47/93/72/835479372.db2.gz QIPMYISEVZYZQX-NSHDSACASA-N -1 3 377.359 3.590 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151522706 835487165 /nfs/dbraw/zinc/48/71/65/835487165.db2.gz SSQBVVWUPGOVFP-LBPRGKRZSA-N -1 3 378.266 3.973 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2C)c([O-])c1 ZINC000536202750 835491787 /nfs/dbraw/zinc/49/17/87/835491787.db2.gz DOCRQNOOETYXRO-UHFFFAOYSA-N -1 3 378.222 3.892 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCC3)c1 ZINC000650164780 835501233 /nfs/dbraw/zinc/50/12/33/835501233.db2.gz WFBRGBIPJZFSDZ-UHFFFAOYSA-N -1 3 394.880 3.814 20 0 GHADHM CCn1cc(CC(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000151610068 835650895 /nfs/dbraw/zinc/65/08/95/835650895.db2.gz CUQNOEFOVVKSSS-UHFFFAOYSA-N -1 3 387.277 3.988 20 0 GHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CN1C1CC1 ZINC000472312511 835656713 /nfs/dbraw/zinc/65/67/13/835656713.db2.gz DYRMGQYRTFLDRD-PSASIEDQSA-N -1 3 383.728 3.550 20 0 GHADHM CC(C)Oc1cccc(CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151625194 835664510 /nfs/dbraw/zinc/66/45/10/835664510.db2.gz MPWDVRONXWEFCX-UHFFFAOYSA-N -1 3 378.266 3.801 20 0 GHADHM CC1(C)CC(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000547728697 835812076 /nfs/dbraw/zinc/81/20/76/835812076.db2.gz VPYVCMKVABFXPR-UHFFFAOYSA-N -1 3 390.480 3.793 20 0 GHADHM CS[C@H]1CCCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000134615166 835868008 /nfs/dbraw/zinc/86/80/08/835868008.db2.gz UZHHULLZYJXJSG-LBPRGKRZSA-N -1 3 375.519 3.962 20 0 GHADHM O=C([O-])c1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000647445686 835943551 /nfs/dbraw/zinc/94/35/51/835943551.db2.gz MXSIVQGQYZWJLH-UHFFFAOYSA-N -1 3 379.382 3.511 20 0 GHADHM CC(C)OCc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511336116 835987086 /nfs/dbraw/zinc/98/70/86/835987086.db2.gz XFLNIDVDPXWIGL-UHFFFAOYSA-N -1 3 388.265 3.696 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cnc4c(cnn4CC(C)C)c3)[nH][n-]2)c1 ZINC000512540352 844112475 /nfs/dbraw/zinc/11/24/75/844112475.db2.gz MCSSZRPFKMDFKQ-UHFFFAOYSA-N -1 3 388.475 3.768 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2C)cc1F ZINC001211528122 844131465 /nfs/dbraw/zinc/13/14/65/844131465.db2.gz FJWSWXLPBCSQMZ-UHFFFAOYSA-N -1 3 395.349 3.779 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000154995796 836272326 /nfs/dbraw/zinc/27/23/26/836272326.db2.gz JUXSSQMFZFGCFD-UHFFFAOYSA-N -1 3 376.478 3.589 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000375944275 836286976 /nfs/dbraw/zinc/28/69/76/836286976.db2.gz ZXWFKOSRAQPZFD-QGZVFWFLSA-N -1 3 390.528 3.684 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000375944275 836286985 /nfs/dbraw/zinc/28/69/85/836286985.db2.gz ZXWFKOSRAQPZFD-QGZVFWFLSA-N -1 3 390.528 3.684 20 0 GHADHM Cc1nn2cccnc2c1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000683344575 836548400 /nfs/dbraw/zinc/54/84/00/836548400.db2.gz OYDZBHPBUCUVMK-HNNXBMFYSA-N -1 3 390.472 3.610 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)CCCC2)no1 ZINC000129310397 836659600 /nfs/dbraw/zinc/65/96/00/836659600.db2.gz XHYLMHGACKLGLM-UHFFFAOYSA-N -1 3 390.292 3.574 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(I)cc1Cl ZINC000154595139 836778520 /nfs/dbraw/zinc/77/85/20/836778520.db2.gz NWESAMMFGFSIRO-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(I)cc1Cl ZINC000154595139 836778525 /nfs/dbraw/zinc/77/85/25/836778525.db2.gz NWESAMMFGFSIRO-NSHDSACASA-N -1 3 396.612 3.524 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC[C@H](C)C3)c2)c1 ZINC000030017055 844232665 /nfs/dbraw/zinc/23/26/65/844232665.db2.gz RZLYTFZHTLCFJB-AWEZNQCLSA-N -1 3 398.459 3.534 20 0 GHADHM CCCN(CCC)S(=O)(=O)[N-]c1ccc(Br)c2cccnc12 ZINC000548976123 837113169 /nfs/dbraw/zinc/11/31/69/837113169.db2.gz VULZMROVLNVCCO-UHFFFAOYSA-N -1 3 386.315 3.776 20 0 GHADHM Cc1noc(C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2)n1 ZINC000430427752 837290504 /nfs/dbraw/zinc/29/05/04/837290504.db2.gz TUOKAEXVKFNRGS-GOSISDBHSA-N -1 3 383.423 3.646 20 0 GHADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000162645038 837378969 /nfs/dbraw/zinc/37/89/69/837378969.db2.gz XTSDMPMQECVTTJ-OLZOCXBDSA-N -1 3 382.423 3.660 20 0 GHADHM O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000177408174 837948054 /nfs/dbraw/zinc/94/80/54/837948054.db2.gz ATQUEKFWQGXYGB-KRWDZBQOSA-N -1 3 393.468 3.759 20 0 GHADHM CC(C)(C)n1cnc([N-]C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)n1 ZINC000544106046 837952173 /nfs/dbraw/zinc/95/21/73/837952173.db2.gz VWSKDMAMIVWVRZ-UHFFFAOYSA-N -1 3 393.476 3.595 20 0 GHADHM O=c1nc(COc2nccc(C(F)(F)F)n2)[n-]c2sc3c(c21)CCCC3 ZINC000579950802 838000934 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Cc1csc([C@@H](C)[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC000651547419 840689289 /nfs/dbraw/zinc/68/92/89/840689289.db2.gz IAVHXQJIALLPQG-MRVPVSSYSA-N -1 3 381.342 3.623 20 0 GHADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c([O-])c1 ZINC000277031113 844577065 /nfs/dbraw/zinc/57/70/65/844577065.db2.gz XTSVFNAZPCCELT-KRWDZBQOSA-N -1 3 385.464 3.599 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1 ZINC000047454420 840838662 /nfs/dbraw/zinc/83/86/62/840838662.db2.gz GVQRUKNIYHEDMS-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM CCOc1ccc(SCC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000026625500 840998640 /nfs/dbraw/zinc/99/86/40/840998640.db2.gz AYYVJZBZNHWHKO-UHFFFAOYSA-N -1 3 399.299 3.945 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1C ZINC000512567897 844599616 /nfs/dbraw/zinc/59/96/16/844599616.db2.gz FTFPZUDTKZUPHU-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000417587086 841036017 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Cc1ccc(OCc2nc(CNC(C)(C)c3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000660747134 841159041 /nfs/dbraw/zinc/15/90/41/841159041.db2.gz QNKOTJKXQZLEKE-UHFFFAOYSA-N -1 3 384.505 3.859 20 0 GHADHM C[C@@H](F)CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000549523924 841267405 /nfs/dbraw/zinc/26/74/05/841267405.db2.gz BWKKXLZWXWCJCQ-SECBINFHSA-N -1 3 393.303 3.599 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C(C)(C)c1c(C)noc1C ZINC000651704653 841406219 /nfs/dbraw/zinc/40/62/19/841406219.db2.gz RNJXCIKSLDDQEF-UHFFFAOYSA-N -1 3 393.328 3.637 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)c1nc(-c2cccc(F)c2)no1 ZINC000432222561 841443478 /nfs/dbraw/zinc/44/34/78/841443478.db2.gz GRQKSFALLPNJBL-VFPJAPOESA-N -1 3 393.484 3.827 20 0 GHADHM Cc1cc([C@@H](NCc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])ccc1Cl ZINC000656572535 841448716 /nfs/dbraw/zinc/44/87/16/841448716.db2.gz LNCRJOOQZMNNOG-IEBWSBKVSA-N -1 3 375.852 3.732 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCOCC1 ZINC000511887015 841491003 /nfs/dbraw/zinc/49/10/03/841491003.db2.gz FYHDWMOOWXUUSE-UHFFFAOYSA-N -1 3 397.899 3.814 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CC(C)C)cs2)c1 ZINC000184073710 841494702 /nfs/dbraw/zinc/49/47/02/841494702.db2.gz TYYXNXSDKTZUKL-CYBMUJFWSA-N -1 3 375.494 3.503 20 0 GHADHM Cc1ccc2c(c1)CN(C(=O)NCc1ccc([O-])c(Br)c1)CCO2 ZINC000500186063 841593835 /nfs/dbraw/zinc/59/38/35/841593835.db2.gz XZBZVXQMHGAODG-UHFFFAOYSA-N -1 3 391.265 3.567 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1)C1CCCC1 ZINC000656622781 841597604 /nfs/dbraw/zinc/59/76/04/841597604.db2.gz LMXJRAIKCSPWAG-LJQANCHMSA-N -1 3 376.478 3.821 20 0 GHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c1 ZINC000656631821 841627137 /nfs/dbraw/zinc/62/71/37/841627137.db2.gz QAOVHPOQUDTINR-CYBMUJFWSA-N -1 3 394.468 3.506 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(Br)c1 ZINC000656769061 841907064 /nfs/dbraw/zinc/90/70/64/841907064.db2.gz OYMZNCDYIQKBLS-WBVHZDCISA-N -1 3 382.298 3.928 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(Br)c1 ZINC000656769048 841907139 /nfs/dbraw/zinc/90/71/39/841907139.db2.gz OYMZNCDYIQKBLS-DOTOQJQBSA-N -1 3 382.298 3.928 20 0 GHADHM C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000661674293 842027036 /nfs/dbraw/zinc/02/70/36/842027036.db2.gz WSIPHYZXAHOCNU-MEDUHNTESA-N -1 3 375.266 3.682 20 0 GHADHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)C(F)(F)F ZINC000655532385 842185626 /nfs/dbraw/zinc/18/56/26/842185626.db2.gz YNCYWGRSWMIKCO-CQSZACIVSA-N -1 3 395.834 3.581 20 0 GHADHM CCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCC1 ZINC000430660590 842240327 /nfs/dbraw/zinc/24/03/27/842240327.db2.gz OEDQQEGMYNODRK-UHFFFAOYSA-N -1 3 383.673 3.959 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCC12CCC2 ZINC000430661231 842262021 /nfs/dbraw/zinc/26/20/21/842262021.db2.gz PQTAQERILSPEFK-UHFFFAOYSA-N -1 3 381.657 3.713 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1nccn1-c1ccccc1 ZINC000430675210 842454049 /nfs/dbraw/zinc/45/40/49/842454049.db2.gz DNVPJKLJMMLQBB-UHFFFAOYSA-N -1 3 381.379 3.833 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000471775441 842470738 /nfs/dbraw/zinc/47/07/38/842470738.db2.gz VFLWVXGTHKXGJW-SFHVURJKSA-N -1 3 383.398 3.849 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1F ZINC000432284177 842513557 /nfs/dbraw/zinc/51/35/57/842513557.db2.gz KQTWPEZPWOKSJG-QGZVFWFLSA-N -1 3 383.872 3.661 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652471073 842595456 /nfs/dbraw/zinc/59/54/56/842595456.db2.gz SGGFNWBSMGQRPG-TZIWHRDSSA-N -1 3 397.515 3.716 20 0 GHADHM C[C@H]1C[C@@H]1c1noc(CC2CCN(c3c(C(=O)[O-])cnc4ccccc43)CC2)n1 ZINC000652535182 842678885 /nfs/dbraw/zinc/67/88/85/842678885.db2.gz AVEZJRPZTNOQFM-BBRMVZONSA-N -1 3 392.459 3.899 20 0 GHADHM COc1cc(Br)ccc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663261608 842939423 /nfs/dbraw/zinc/93/94/23/842939423.db2.gz MDSAXOPJQHVEIA-SNVBAGLBSA-N -1 3 384.192 3.591 20 0 GHADHM COc1cc(C=Cc2nc(=O)c3c(C)csc3[nH]2)cc(Br)c1[O-] ZINC000185024723 842994342 /nfs/dbraw/zinc/99/43/42/842994342.db2.gz NDNZJYNRZIWWPO-ONEGZZNKSA-N -1 3 393.262 3.940 20 0 GHADHM COc1cc(F)ccc1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000663299472 843049152 /nfs/dbraw/zinc/04/91/52/843049152.db2.gz LFQCJIKIELULOH-UHFFFAOYSA-N -1 3 378.469 3.539 20 0 GHADHM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000473241120 843145354 /nfs/dbraw/zinc/14/53/54/843145354.db2.gz FHFCYCVAYBDXJO-UHFFFAOYSA-N -1 3 379.313 3.894 20 0 GHADHM CCOC(=O)Cc1nnc([N-]C(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000128559705 843198571 /nfs/dbraw/zinc/19/85/71/843198571.db2.gz UYMWAQUQGNSQQD-UHFFFAOYSA-N -1 3 379.825 3.604 20 0 GHADHM COc1ccccc1[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000730995665 861396153 /nfs/dbraw/zinc/39/61/53/861396153.db2.gz HWHGQTULGNJOJC-QDUHJBTASA-N -1 3 384.435 3.685 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000535655836 843332226 /nfs/dbraw/zinc/33/22/26/843332226.db2.gz SXDNOSMSWSGUJG-UHFFFAOYSA-N -1 3 389.260 3.761 20 0 GHADHM O=C(CCCCc1nc2ccccc2s1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512299660 843334743 /nfs/dbraw/zinc/33/47/43/843334743.db2.gz BFWBSMUJEVSEAT-UHFFFAOYSA-N -1 3 377.473 3.855 20 0 GHADHM COC(=O)c1cnc(SCCCc2ccc(Br)cc2OC)[n-]1 ZINC000432672907 843404401 /nfs/dbraw/zinc/40/44/01/843404401.db2.gz VKWZMFVBTHDICQ-UHFFFAOYSA-N -1 3 385.283 3.692 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1nccs1 ZINC000429811412 843413484 /nfs/dbraw/zinc/41/34/84/843413484.db2.gz DZYUGQHMKZUDJR-JTQLQIEISA-N -1 3 395.731 3.989 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000091923964 843683421 /nfs/dbraw/zinc/68/34/21/843683421.db2.gz GXVHNXIEXBMXDJ-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000432757412 843724567 /nfs/dbraw/zinc/72/45/67/843724567.db2.gz BBOIVHDXFPPFDV-UHFFFAOYSA-N -1 3 394.880 3.733 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1OC ZINC000432765875 843742896 /nfs/dbraw/zinc/74/28/96/843742896.db2.gz NTRPQKHGTYNQOE-UHFFFAOYSA-N -1 3 385.869 3.865 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1NC(=O)C(C)(C)C ZINC000432766018 843742948 /nfs/dbraw/zinc/74/29/48/843742948.db2.gz FFGRIVHULDJCBM-UHFFFAOYSA-N -1 3 389.521 3.846 20 0 GHADHM O=S(=O)([N-]CCSc1ccccc1)c1cc(Br)ccc1F ZINC000500623189 843749101 /nfs/dbraw/zinc/74/91/01/843749101.db2.gz GHMHXXDEGNKHQT-UHFFFAOYSA-N -1 3 390.299 3.659 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000603971061 861454264 /nfs/dbraw/zinc/45/42/64/861454264.db2.gz DJNGHWVTBWMKQL-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM CC1(NC(=O)NCc2ccc([O-])c(Br)c2)Cc2ccccc2C1 ZINC000092293484 843772023 /nfs/dbraw/zinc/77/20/23/843772023.db2.gz OJMGMMLXOGMESJ-UHFFFAOYSA-N -1 3 375.266 3.511 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCC(=O)c2cccs2)[nH][n-]1 ZINC000512853858 843875735 /nfs/dbraw/zinc/87/57/35/843875735.db2.gz DCUQCYDVRSEGOU-UHFFFAOYSA-N -1 3 389.864 3.824 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000512463473 843884263 /nfs/dbraw/zinc/88/42/63/843884263.db2.gz ORHNMPHCZKFTKU-CJNGLKHVSA-N -1 3 378.350 3.655 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1(F)F ZINC000657156265 844703180 /nfs/dbraw/zinc/70/31/80/844703180.db2.gz NHNSZMKOFCMDPL-JTQLQIEISA-N -1 3 379.734 3.562 20 0 GHADHM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCC1 ZINC000458310720 844897432 /nfs/dbraw/zinc/89/74/32/844897432.db2.gz RGBPEIYBQVYVQN-MRXNPFEDSA-N -1 3 393.484 3.653 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)[n-]1 ZINC000512723288 845201346 /nfs/dbraw/zinc/20/13/46/845201346.db2.gz QSTYKSDUNYCPEK-UHFFFAOYSA-N -1 3 390.399 3.606 20 0 GHADHM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc2c(cc1[O-])OCO2 ZINC000436934935 845209941 /nfs/dbraw/zinc/20/99/41/845209941.db2.gz NPMBSYQEKLSDGU-UHFFFAOYSA-N -1 3 393.783 3.684 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1nnn(C2CC2)c1C(F)(F)F ZINC000684641240 845222380 /nfs/dbraw/zinc/22/23/80/845222380.db2.gz HJDGYSISIYLPKE-UHFFFAOYSA-N -1 3 381.289 3.678 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1-c1cnn(C)c1 ZINC000533883460 845763086 /nfs/dbraw/zinc/76/30/86/845763086.db2.gz AWBAVBICKZHZDU-UHFFFAOYSA-N -1 3 399.447 3.759 20 0 GHADHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000622891192 845796294 /nfs/dbraw/zinc/79/62/94/845796294.db2.gz KMJAFSVBBLHWOA-SJCJKPOMSA-N -1 3 394.862 3.999 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000511040245 845849533 /nfs/dbraw/zinc/84/95/33/845849533.db2.gz NKSGVFUZVLINSR-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM Cc1ccc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([O-])c1 ZINC000277433132 846131609 /nfs/dbraw/zinc/13/16/09/846131609.db2.gz IQKUWFAVYNTWAV-UHFFFAOYSA-N -1 3 379.378 3.843 20 0 GHADHM CCCCc1nc(NC(=O)CO[C@@H]2CCCc3ccccc32)c(C(=O)OCC)[n-]1 ZINC001269124696 846188332 /nfs/dbraw/zinc/18/83/32/846188332.db2.gz VEYHOXMIMFRQIG-QGZVFWFLSA-N -1 3 399.491 3.962 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc2c(c1)OCO2 ZINC000030379322 846290551 /nfs/dbraw/zinc/29/05/51/846290551.db2.gz PAZKIWSZXTVOQQ-ZETCQYMHSA-N -1 3 380.274 3.823 20 0 GHADHM CC(=O)NCCc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1 ZINC000502744304 846421413 /nfs/dbraw/zinc/42/14/13/846421413.db2.gz NPASLEAXLVBTNP-UHFFFAOYSA-N -1 3 390.472 3.571 20 0 GHADHM COc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(F)ccc2[O-])c2ccccc2)cc1 ZINC000179643562 861681649 /nfs/dbraw/zinc/68/16/49/861681649.db2.gz KJBGPIMWEKTIOM-HXUWFJFHSA-N -1 3 394.402 3.650 20 0 GHADHM CCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCCCC1 ZINC000421679771 846482498 /nfs/dbraw/zinc/48/24/98/846482498.db2.gz NSAYQTHLWGPAFF-UHFFFAOYSA-N -1 3 382.224 3.929 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc4c(c3)COC4)cc2)cc(=O)[n-]1 ZINC000431367947 846532786 /nfs/dbraw/zinc/53/27/86/846532786.db2.gz IUEGCXDOQUIOIH-UHFFFAOYSA-N -1 3 376.416 3.510 20 0 GHADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000501067832 846599311 /nfs/dbraw/zinc/59/93/11/846599311.db2.gz DOGKROMKVAHPGX-NSHDSACASA-N -1 3 393.256 3.950 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000502956583 846662528 /nfs/dbraw/zinc/66/25/28/846662528.db2.gz CXUOFEPRAWBKET-UHFFFAOYSA-N -1 3 395.875 3.852 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccnc(Oc2ccccc2Cl)c1 ZINC000582257956 846724498 /nfs/dbraw/zinc/72/44/98/846724498.db2.gz VCYAZSOPCQOOJN-NSHDSACASA-N -1 3 385.729 3.905 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccccc1OC(F)F ZINC000731604929 861756228 /nfs/dbraw/zinc/75/62/28/861756228.db2.gz QKNVRJQZIQKDFL-NSHDSACASA-N -1 3 385.313 3.950 20 0 GHADHM CCc1c(C)nn(-c2cccc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c2)c1C ZINC000501848623 847248882 /nfs/dbraw/zinc/24/88/82/847248882.db2.gz UOLFUSJZEBSABN-UHFFFAOYSA-N -1 3 386.459 3.511 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273608411 847384217 /nfs/dbraw/zinc/38/42/17/847384217.db2.gz OVSYPRLBTADLDR-VQIMIIECSA-N -1 3 376.403 3.732 20 0 GHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000273626980 847389334 /nfs/dbraw/zinc/38/93/34/847389334.db2.gz RVDHKFNGDSGKIA-LURJTMIESA-N -1 3 385.820 3.558 20 0 GHADHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CC(F)F)c1ccccc1 ZINC000420732254 847392264 /nfs/dbraw/zinc/39/22/64/847392264.db2.gz GLUMJMLUUYQRPA-LBPRGKRZSA-N -1 3 389.445 3.518 20 0 GHADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420738698 847418762 /nfs/dbraw/zinc/41/87/62/847418762.db2.gz ZKIKPFXGUNPZRO-VIFPVBQESA-N -1 3 379.322 3.682 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000375712296 847422491 /nfs/dbraw/zinc/42/24/91/847422491.db2.gz RGNAHVDHIQGEGX-UHFFFAOYSA-N -1 3 383.394 3.947 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)ccc1OCC(C)C ZINC000503318021 847595182 /nfs/dbraw/zinc/59/51/82/847595182.db2.gz QHCVXMXGKZJSGN-GFCCVEGCSA-N -1 3 386.427 3.631 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000502197872 847599191 /nfs/dbraw/zinc/59/91/91/847599191.db2.gz UWRFRNOMIKJBES-HZPDHXFCSA-N -1 3 379.503 3.539 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000502199412 847602556 /nfs/dbraw/zinc/60/25/56/847602556.db2.gz XONTYTBEWJPHTJ-UHFFFAOYSA-N -1 3 391.518 3.740 20 0 GHADHM CC(C)(C)c1ccc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000414660368 847620690 /nfs/dbraw/zinc/62/06/90/847620690.db2.gz PDFZOYXKHKIQQW-VQTJNVASSA-N -1 3 380.488 3.501 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccco1 ZINC000152727847 847674891 /nfs/dbraw/zinc/67/48/91/847674891.db2.gz CQIDCBNUNLRORV-SFHVURJKSA-N -1 3 392.864 3.546 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@]4(C[C@@H]5CC[C@H]4C5)OC(C)(C)C3)nc2)n1 ZINC000582584925 847694685 /nfs/dbraw/zinc/69/46/85/847694685.db2.gz GLAFPNSOXJHXBH-DLYSWHJUSA-N -1 3 394.519 3.981 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503466872 847721866 /nfs/dbraw/zinc/72/18/66/847721866.db2.gz NNYVLHASDQLVKX-UHFFFAOYSA-N -1 3 375.363 3.602 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(OC)cc4)CCCC3)nc21 ZINC000503608134 847829491 /nfs/dbraw/zinc/82/94/91/847829491.db2.gz JWNKOKJBDDBJHU-UHFFFAOYSA-N -1 3 393.443 3.809 20 0 GHADHM COc1ccccc1Oc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503599830 847837926 /nfs/dbraw/zinc/83/79/26/847837926.db2.gz SITDVOMIVVGUCJ-UHFFFAOYSA-N -1 3 392.390 3.828 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)Oc3cccc(C)c3)nc(=O)c2c1C ZINC000006972528 847917607 /nfs/dbraw/zinc/91/76/07/847917607.db2.gz ZWRSLWZXTNFLAK-QWHCGFSZSA-N -1 3 386.473 3.982 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cn2cccc(C)c2n1 ZINC000503817787 847943212 /nfs/dbraw/zinc/94/32/12/847943212.db2.gz NXMIQDRWCKNXEJ-UHFFFAOYSA-N -1 3 389.864 3.829 20 0 GHADHM Cc1nc(COc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)cs1 ZINC000128099774 848058255 /nfs/dbraw/zinc/05/82/55/848058255.db2.gz XBHKBTLVXQUVMU-UHFFFAOYSA-N -1 3 381.417 3.661 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)c(Cl)cc2C)cc1OC ZINC000475014002 861862528 /nfs/dbraw/zinc/86/25/28/861862528.db2.gz FYIJLEAQRCSJDM-UHFFFAOYSA-N -1 3 396.896 3.979 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c(C2CC2)n1 ZINC000685007115 848140949 /nfs/dbraw/zinc/14/09/49/848140949.db2.gz MUXWQVKTAOUJQX-UHFFFAOYSA-N -1 3 387.383 3.503 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)c1 ZINC000728514323 848166299 /nfs/dbraw/zinc/16/62/99/848166299.db2.gz HTNRVBHUJKRIRN-UHFFFAOYSA-N -1 3 384.457 3.608 20 0 GHADHM COc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1OC ZINC000277856129 848234819 /nfs/dbraw/zinc/23/48/19/848234819.db2.gz JSVVKXBANRQORK-UHFFFAOYSA-N -1 3 397.431 3.764 20 0 GHADHM CCc1coc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)n1 ZINC000582738491 848248410 /nfs/dbraw/zinc/24/84/10/848248410.db2.gz HDLJRQUPRQCLMM-UHFFFAOYSA-N -1 3 399.472 3.907 20 0 GHADHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000731781262 861885916 /nfs/dbraw/zinc/88/59/16/861885916.db2.gz LDWQBEBFBZRNFZ-UHFFFAOYSA-N -1 3 388.489 3.654 20 0 GHADHM Cc1nc(-c2ccc(CCNC(=O)c3nnc4ccccc4c3[O-])cc2)cs1 ZINC000731865634 861936779 /nfs/dbraw/zinc/93/67/79/861936779.db2.gz OOLUXOCIJLYLHH-UHFFFAOYSA-N -1 3 390.468 3.740 20 0 GHADHM COc1ccc2c(C)cc3nnc(Sc4nc5ccccc5c(=O)[n-]4)n3c2c1 ZINC000731916861 861958439 /nfs/dbraw/zinc/95/84/39/861958439.db2.gz JETXHKZBBVQKMH-UHFFFAOYSA-N -1 3 389.440 4.000 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC000543499139 862029653 /nfs/dbraw/zinc/02/96/53/862029653.db2.gz MKFLUIRDWIULSK-GOSISDBHSA-N -1 3 397.456 3.884 20 0 GHADHM Cc1cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2[nH]c1=O ZINC000583363010 849708971 /nfs/dbraw/zinc/70/89/71/849708971.db2.gz BETBNXOXWRFTFK-UHFFFAOYSA-N -1 3 398.484 3.959 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCN1C1CC1)c1c(Cl)cccc1C(F)(F)F ZINC000434777511 849758530 /nfs/dbraw/zinc/75/85/30/849758530.db2.gz UZFWDOINGAPIAB-LBPRGKRZSA-N -1 3 396.862 3.654 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCCCCCC3)nc(=O)c2c1C ZINC000007003764 849816444 /nfs/dbraw/zinc/81/64/44/849816444.db2.gz IQMVNAYFJSHSNB-CYBMUJFWSA-N -1 3 377.510 3.797 20 0 GHADHM COCCN(C)CC[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000505570503 849901685 /nfs/dbraw/zinc/90/16/85/849901685.db2.gz LHOHFYTVKFHAOG-IBGZPJMESA-N -1 3 382.533 3.749 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Br)c1F ZINC000443878575 862086422 /nfs/dbraw/zinc/08/64/22/862086422.db2.gz DYALBUFIFSOPGK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(Br)c1F ZINC000443878575 862086438 /nfs/dbraw/zinc/08/64/38/862086438.db2.gz DYALBUFIFSOPGK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)s1 ZINC000908393572 850076606 /nfs/dbraw/zinc/07/66/06/850076606.db2.gz ZJQWLEYBJWXJPQ-CYBMUJFWSA-N -1 3 387.324 3.644 20 0 GHADHM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000908419482 850092808 /nfs/dbraw/zinc/09/28/08/850092808.db2.gz OLOZFOKJZYEVPO-CJNGLKHVSA-N -1 3 386.414 3.602 20 0 GHADHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000625494983 862113402 /nfs/dbraw/zinc/11/34/02/862113402.db2.gz XQSWGRLOBVDVEO-UHFFFAOYSA-N -1 3 388.249 3.938 20 0 GHADHM C[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CCC1 ZINC000908749350 850322034 /nfs/dbraw/zinc/32/20/34/850322034.db2.gz RPYRGUWFPZQYPS-WBVHZDCISA-N -1 3 393.553 3.558 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCCC1)c1ccsc1 ZINC000908804476 850372480 /nfs/dbraw/zinc/37/24/80/850372480.db2.gz WVPUIVALBHDGFH-ROUUACIJSA-N -1 3 395.569 3.854 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1)c1ccsc1 ZINC000908804477 850372696 /nfs/dbraw/zinc/37/26/96/850372696.db2.gz WVPUIVALBHDGFH-ZWKOTPCHSA-N -1 3 395.569 3.854 20 0 GHADHM CCC(CC)(CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000424390827 850428026 /nfs/dbraw/zinc/42/80/26/850428026.db2.gz OUFNNWRBPVYHKX-MRXNPFEDSA-N -1 3 395.569 3.711 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC000426498854 850452859 /nfs/dbraw/zinc/45/28/59/850452859.db2.gz IFEKZVOJCWJACS-UHFFFAOYSA-N -1 3 389.868 3.612 20 0 GHADHM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000908885248 850453979 /nfs/dbraw/zinc/45/39/79/850453979.db2.gz VGHHWXBZASPRKX-DBXWQHBBSA-N -1 3 395.503 3.507 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc(F)cc(Cl)c1)c1c(Cl)cccc1Cl ZINC000785396638 850454187 /nfs/dbraw/zinc/45/41/87/850454187.db2.gz FWGPHTYJWVJIPF-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM COc1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1OC ZINC000435427327 850510612 /nfs/dbraw/zinc/51/06/12/850510612.db2.gz LJANWIOAXFUOGX-UHFFFAOYSA-N -1 3 394.251 3.628 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000908991129 850522159 /nfs/dbraw/zinc/52/21/59/850522159.db2.gz YFQOJJYGRWKABQ-RXVVDRJESA-N -1 3 397.519 3.754 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000519099437 850624463 /nfs/dbraw/zinc/62/44/63/850624463.db2.gz SVCMOOFJNPZUCI-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000519099437 850624470 /nfs/dbraw/zinc/62/44/70/850624470.db2.gz SVCMOOFJNPZUCI-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM CN(Cc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000505139134 850643238 /nfs/dbraw/zinc/64/32/38/850643238.db2.gz LOPIBBMQHSDARY-UHFFFAOYSA-N -1 3 375.407 3.986 20 0 GHADHM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1nnc2ccccc2c1[O-] ZINC000732281077 862173646 /nfs/dbraw/zinc/17/36/46/862173646.db2.gz ZRQIHEFXXHXYQQ-UHFFFAOYSA-N -1 3 397.434 3.867 20 0 GHADHM COc1ccc(Nc2nnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000487706882 850851195 /nfs/dbraw/zinc/85/11/95/850851195.db2.gz IDGFITYZGALVSG-SNVBAGLBSA-N -1 3 375.479 3.948 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nc2ccccc2n1C(F)F ZINC000732263842 862178893 /nfs/dbraw/zinc/17/88/93/862178893.db2.gz WHRQIGKXIRBOIX-SNVBAGLBSA-N -1 3 383.358 3.571 20 0 GHADHM Cc1ccc(C(=O)C2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)c(C)c1 ZINC000732271739 862180821 /nfs/dbraw/zinc/18/08/21/862180821.db2.gz QILJJCSYMGVREO-UHFFFAOYSA-N -1 3 389.455 3.687 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000604423874 862195963 /nfs/dbraw/zinc/19/59/63/862195963.db2.gz ISNAGMMCEJCYCX-CABCVRRESA-N -1 3 397.541 3.795 20 0 GHADHM CSc1nc(NC(=O)CCCSc2ccc(Br)cc2)n[n-]1 ZINC000519419045 851024304 /nfs/dbraw/zinc/02/43/04/851024304.db2.gz RYWOCGOIRRIJSY-UHFFFAOYSA-N -1 3 387.328 3.800 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000426628975 851027254 /nfs/dbraw/zinc/02/72/54/851027254.db2.gz OWGVPTRGFHLYOY-KRWDZBQOSA-N -1 3 382.485 3.852 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]3C3CC3)c2)cc1 ZINC000435963230 851029929 /nfs/dbraw/zinc/02/99/29/851029929.db2.gz DFHGQXQZKSXPAW-VQTJNVASSA-N -1 3 384.501 3.633 20 0 GHADHM COc1cc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000513961904 851045105 /nfs/dbraw/zinc/04/51/05/851045105.db2.gz NJLURDVJUQUUSC-UHFFFAOYSA-N -1 3 385.338 3.580 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000488024958 851088832 /nfs/dbraw/zinc/08/88/32/851088832.db2.gz QUZJKINVOSTFEB-LBPRGKRZSA-N -1 3 398.265 3.916 20 0 GHADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1)C(F)(F)F ZINC000443925208 862204390 /nfs/dbraw/zinc/20/43/90/862204390.db2.gz CODPGCQEIQOYNB-ABAIWWIYSA-N -1 3 377.432 3.873 20 0 GHADHM Cc1ccc(-c2csc3ncnc(N4CCN(CCC(=O)[O-])C[C@H]4C)c23)cc1 ZINC000910459083 851211815 /nfs/dbraw/zinc/21/18/15/851211815.db2.gz XCDCATSOWSATEU-OAHLLOKOSA-N -1 3 396.516 3.652 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c(=O)[n-]1 ZINC000515594652 851222259 /nfs/dbraw/zinc/22/22/59/851222259.db2.gz HSKUWBRPVUJTEY-UHFFFAOYSA-N -1 3 397.519 3.925 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C=C(C1CC1)C1CC1 ZINC000729451352 851235898 /nfs/dbraw/zinc/23/58/98/851235898.db2.gz JYYYYGFCRJBNKH-UHFFFAOYSA-N -1 3 388.411 3.762 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CC)ccc2C)cc1C ZINC000515635051 851278559 /nfs/dbraw/zinc/27/85/59/851278559.db2.gz ALPPMSJDVIVOHT-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)N1CCCCCC1 ZINC000910618389 851295670 /nfs/dbraw/zinc/29/56/70/851295670.db2.gz HFXRMGYTUBQLEE-OAHLLOKOSA-N -1 3 383.448 3.775 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)NCc2ncccc2[O-])cc1OCC ZINC000473628933 851298912 /nfs/dbraw/zinc/29/89/12/851298912.db2.gz HHOACRGUXOZDSB-UHFFFAOYSA-N -1 3 378.856 3.948 20 0 GHADHM CC(C)Cc1coc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000894441011 851300734 /nfs/dbraw/zinc/30/07/34/851300734.db2.gz CMMCOTKZQYVOII-UHFFFAOYSA-N -1 3 397.332 3.864 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000473640943 851342859 /nfs/dbraw/zinc/34/28/59/851342859.db2.gz MLHLCXXEFOJMTG-UHFFFAOYSA-N -1 3 394.818 3.816 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1Br)c1cccc(Cl)c1F ZINC000515756709 851436659 /nfs/dbraw/zinc/43/66/59/851436659.db2.gz AUSLMCOOEHTQLD-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CC(C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000732392148 862254585 /nfs/dbraw/zinc/25/45/85/862254585.db2.gz BNMWSCSLZXYCHU-HNNXBMFYSA-N -1 3 382.338 3.626 20 0 GHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000514312799 851555167 /nfs/dbraw/zinc/55/51/67/851555167.db2.gz BQHXOZXXZFNRLD-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COC(=O)c2cncc([O-])c2)cc1 ZINC000732394785 862259081 /nfs/dbraw/zinc/25/90/81/862259081.db2.gz VIQHVOBZEPITBM-LJQANCHMSA-N -1 3 382.460 3.605 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000911132022 851586922 /nfs/dbraw/zinc/58/69/22/851586922.db2.gz FVDWMQRYWFOVGG-FQEVSTJZSA-N -1 3 384.476 3.515 20 0 GHADHM CC(C)N1C[C@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CC1=O ZINC000519553822 851603142 /nfs/dbraw/zinc/60/31/42/851603142.db2.gz LYSWEFMTYZFEIF-QGZVFWFLSA-N -1 3 377.444 3.757 20 0 GHADHM CN(CCc1ccccc1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443952722 862264369 /nfs/dbraw/zinc/26/43/69/862264369.db2.gz OSGFFDHTAJWBOO-UHFFFAOYSA-N -1 3 385.261 3.605 20 0 GHADHM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000911252328 851648870 /nfs/dbraw/zinc/64/88/70/851648870.db2.gz KQZYRZSASOSLJO-WQURASTCSA-N -1 3 382.460 3.675 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Nc1cccc2ccccc21 ZINC000488672971 851686427 /nfs/dbraw/zinc/68/64/27/851686427.db2.gz OLTRAFHHNKWJEX-UHFFFAOYSA-N -1 3 392.839 3.549 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nn(CC(F)(F)F)cc1Cl ZINC000911435091 851731037 /nfs/dbraw/zinc/73/10/37/851731037.db2.gz WNDDFVOYRKSPJV-UHFFFAOYSA-N -1 3 379.741 3.905 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000911534248 851767667 /nfs/dbraw/zinc/76/76/67/851767667.db2.gz NQLOFIOKNZYNKV-OAHLLOKOSA-N -1 3 386.879 3.632 20 0 GHADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000488945455 851894368 /nfs/dbraw/zinc/89/43/68/851894368.db2.gz USMMIRPHPPFZNY-LBPRGKRZSA-N -1 3 391.386 3.899 20 0 GHADHM COC(=O)c1occc1CN(C(=O)c1ccccc1[O-])[C@@H](C)c1ccccn1 ZINC000436536378 852028796 /nfs/dbraw/zinc/02/87/96/852028796.db2.gz PXXNNOHMLDJBFO-AWEZNQCLSA-N -1 3 380.400 3.570 20 0 GHADHM COC(=O)[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])c2ccccc21 ZINC000436548907 852035716 /nfs/dbraw/zinc/03/57/16/852035716.db2.gz DDUCMPQOANAURO-HXUWFJFHSA-N -1 3 387.435 3.900 20 0 GHADHM COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436543967 852056412 /nfs/dbraw/zinc/05/64/12/852056412.db2.gz NNBBWNYGHJZPDZ-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM Cc1nc(-c2ccc(C)c(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)c2)n[nH]1 ZINC000436576676 852060296 /nfs/dbraw/zinc/06/02/96/852060296.db2.gz QFTBROBUCFLIBC-UHFFFAOYSA-N -1 3 378.432 3.760 20 0 GHADHM O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436561499 852064871 /nfs/dbraw/zinc/06/48/71/852064871.db2.gz JMCCMWPXVJNDMV-UHFFFAOYSA-N -1 3 376.368 3.768 20 0 GHADHM C[C@@H](C1CCC1)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436562743 852066020 /nfs/dbraw/zinc/06/60/20/852066020.db2.gz NZDACNBIZQABRZ-HRAATJIYSA-N -1 3 380.488 3.900 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c(C)c1 ZINC000516023318 852073708 /nfs/dbraw/zinc/07/37/08/852073708.db2.gz KRDFYGZGWUVJTP-UHFFFAOYSA-N -1 3 393.505 4.000 20 0 GHADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000050179008 852075420 /nfs/dbraw/zinc/07/54/20/852075420.db2.gz DHTSMMMOSIPYQY-UHFFFAOYSA-N -1 3 384.457 3.512 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(Oc4cccnn4)c3)c([O-])c2O1 ZINC000436592317 852079970 /nfs/dbraw/zinc/07/99/70/852079970.db2.gz UAMBYZWWLXBCQS-UHFFFAOYSA-N -1 3 377.400 3.940 20 0 GHADHM C[C@@H](c1cccc(Br)c1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000517531611 852081374 /nfs/dbraw/zinc/08/13/74/852081374.db2.gz DRGCNKSMZXRCBF-MGUXCZDKSA-N -1 3 381.295 3.832 20 0 GHADHM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436610730 852110346 /nfs/dbraw/zinc/11/03/46/852110346.db2.gz NFSRZWTTZHJXON-UHFFFAOYSA-N -1 3 388.467 3.968 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c2cccnc12 ZINC000516063191 852115663 /nfs/dbraw/zinc/11/56/63/852115663.db2.gz OAUMYMXFAGGFSW-SFHVURJKSA-N -1 3 397.500 3.729 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CCc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000436629765 852123932 /nfs/dbraw/zinc/12/39/32/852123932.db2.gz KTOXBMBBORKSKH-UHFFFAOYSA-N -1 3 395.459 3.936 20 0 GHADHM CC1(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000625549179 862323331 /nfs/dbraw/zinc/32/33/31/862323331.db2.gz LPXIJEYPYRSDID-UHFFFAOYSA-N -1 3 394.718 3.530 20 0 GHADHM COc1cccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c1[O-] ZINC000436656652 852146776 /nfs/dbraw/zinc/14/67/76/852146776.db2.gz NFIHZKBEJYLLBG-UHFFFAOYSA-N -1 3 380.416 3.830 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436668823 852166226 /nfs/dbraw/zinc/16/62/26/852166226.db2.gz YIZQPUPZTUEFLR-CYBMUJFWSA-N -1 3 394.393 3.717 20 0 GHADHM C[S@@](=O)Cc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436711503 852232680 /nfs/dbraw/zinc/23/26/80/852232680.db2.gz ITFFZZANENTCGJ-MUUNZHRXSA-N -1 3 395.480 3.993 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1 ZINC000668957964 852239938 /nfs/dbraw/zinc/23/99/38/852239938.db2.gz QSFYRVZYLRBSTD-KRWDZBQOSA-N -1 3 381.457 3.745 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436719723 852243407 /nfs/dbraw/zinc/24/34/07/852243407.db2.gz IJKYGWRCBJSUJA-PKOBYXMFSA-N -1 3 392.499 3.666 20 0 GHADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Br)cc1[O-] ZINC000436742966 852261263 /nfs/dbraw/zinc/26/12/63/852261263.db2.gz YWSZEJZWNBPWGQ-OAHLLOKOSA-N -1 3 393.281 3.705 20 0 GHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436733245 852275234 /nfs/dbraw/zinc/27/52/34/852275234.db2.gz UWFGOCIPRFOUSJ-AWEZNQCLSA-N -1 3 394.393 3.810 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000436746837 852285994 /nfs/dbraw/zinc/28/59/94/852285994.db2.gz IOWOCPUHZJCILJ-UHFFFAOYSA-N -1 3 376.250 3.880 20 0 GHADHM COc1cccc([C@@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)N(C)C)c1 ZINC000436756024 852301344 /nfs/dbraw/zinc/30/13/44/852301344.db2.gz PNOZDOGBPRPSES-OAHLLOKOSA-N -1 3 383.275 3.740 20 0 GHADHM CC(C)(C)c1nc(CN[C@@H](Cc2cccc(Br)c2)C(=O)[O-])cs1 ZINC000426718919 852303957 /nfs/dbraw/zinc/30/39/57/852303957.db2.gz YYBBXRZVNBWQML-AWEZNQCLSA-N -1 3 397.338 3.989 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc2ccsc21 ZINC000436774127 852306402 /nfs/dbraw/zinc/30/64/02/852306402.db2.gz RRRLGWUCEDYFJX-UHFFFAOYSA-N -1 3 380.469 3.642 20 0 GHADHM Cn1c(CN[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426721703 852306902 /nfs/dbraw/zinc/30/69/02/852306902.db2.gz SWLLLBWPSVCUMR-OAHLLOKOSA-N -1 3 396.249 3.805 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000436788398 852343814 /nfs/dbraw/zinc/34/38/14/852343814.db2.gz YOHFTRFNNQMLNZ-LADGPHEKSA-N -1 3 377.484 3.961 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](c3cccc(F)c3)N(C)C)c12 ZINC000516296681 852381911 /nfs/dbraw/zinc/38/19/11/852381911.db2.gz JGDHZHAUMYABFI-CQSZACIVSA-N -1 3 388.468 3.860 20 0 GHADHM CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000426005928 852387725 /nfs/dbraw/zinc/38/77/25/852387725.db2.gz UUUSBLAIOKZGJT-INIZCTEOSA-N -1 3 390.281 3.673 20 0 GHADHM CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000426005929 852388075 /nfs/dbraw/zinc/38/80/75/852388075.db2.gz UUUSBLAIOKZGJT-MRXNPFEDSA-N -1 3 390.281 3.673 20 0 GHADHM C[C@H](CCC1CC1)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436819718 852388420 /nfs/dbraw/zinc/38/84/20/852388420.db2.gz FDNBGCGBJBCJKE-IIBYNOLFSA-N -1 3 380.488 3.948 20 0 GHADHM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436838438 852404056 /nfs/dbraw/zinc/40/40/56/852404056.db2.gz QWBNBDZQNWLDGA-STQMWFEESA-N -1 3 395.484 3.899 20 0 GHADHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436842965 852408114 /nfs/dbraw/zinc/40/81/14/852408114.db2.gz YKJWZFCYQZTGRD-LIVBEALHSA-N -1 3 381.428 3.598 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000436844416 852410621 /nfs/dbraw/zinc/41/06/21/852410621.db2.gz NETBEXWOGYXSSH-UHFFFAOYSA-N -1 3 376.909 3.596 20 0 GHADHM Cn1cnc2cc(CN[C@H](CC(=O)[O-])c3cccc(Br)c3)ccc21 ZINC000426818187 852429238 /nfs/dbraw/zinc/42/92/38/852429238.db2.gz DOCKMLGACMKXNF-OAHLLOKOSA-N -1 3 388.265 3.641 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)c([O-])c1 ZINC000436870524 852435483 /nfs/dbraw/zinc/43/54/83/852435483.db2.gz QAHVZGNNQCTKGB-UHFFFAOYSA-N -1 3 375.787 3.978 20 0 GHADHM CCCCCn1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436857507 852444110 /nfs/dbraw/zinc/44/41/10/852444110.db2.gz QESJYRMIIFRQMO-UHFFFAOYSA-N -1 3 393.487 3.697 20 0 GHADHM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000436912220 852477325 /nfs/dbraw/zinc/47/73/25/852477325.db2.gz GZLTUNCYRFFZBV-UHFFFAOYSA-N -1 3 398.785 3.612 20 0 GHADHM COCC(=O)Nc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000436895897 852481835 /nfs/dbraw/zinc/48/18/35/852481835.db2.gz KIVGXJSLTYIADC-UHFFFAOYSA-N -1 3 375.384 3.847 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](C(C)C)C3)nc(=O)c2c1C ZINC000438499023 852489959 /nfs/dbraw/zinc/48/99/59/852489959.db2.gz ZFHHTVSVJWYJPF-OLZOCXBDSA-N -1 3 377.510 3.509 20 0 GHADHM C[C@@H]1CC[C@@H](CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436915245 852492887 /nfs/dbraw/zinc/49/28/87/852492887.db2.gz PKULGYRTKGCDQS-CBGDNZLLSA-N -1 3 380.488 3.806 20 0 GHADHM COc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)c1 ZINC000516388452 852504753 /nfs/dbraw/zinc/50/47/53/852504753.db2.gz UYRWGLMBFSZXJV-OAHLLOKOSA-N -1 3 380.322 3.865 20 0 GHADHM O=C(NCc1ccc(-n2cncn2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436950306 852512532 /nfs/dbraw/zinc/51/25/32/852512532.db2.gz BVAZJDUAZWCLFK-UHFFFAOYSA-N -1 3 386.411 3.695 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c([O-])c1 ZINC000436939455 852522201 /nfs/dbraw/zinc/52/22/01/852522201.db2.gz OFVSUPQNLNLWNK-GOSISDBHSA-N -1 3 380.488 3.848 20 0 GHADHM O=C(Nc1cc(-c2ccccc2)ns1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436948378 852530179 /nfs/dbraw/zinc/53/01/79/852530179.db2.gz GVPJHWCXGCZBLP-QGZVFWFLSA-N -1 3 393.468 3.759 20 0 GHADHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489695649 852531017 /nfs/dbraw/zinc/53/10/17/852531017.db2.gz DHHXAKLMVFUGLC-NWDGAFQWSA-N -1 3 399.406 3.596 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489721569 852532726 /nfs/dbraw/zinc/53/27/26/852532726.db2.gz WOBVRYPLKYNUMO-MRVPVSSYSA-N -1 3 377.306 3.581 20 0 GHADHM CC(C)C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436953636 852544257 /nfs/dbraw/zinc/54/42/57/852544257.db2.gz ATBNPCAOXSVDBV-NRFANRHFSA-N -1 3 394.515 3.943 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3ccc(C(C)(F)F)cc3)no2)c([O-])c1 ZINC000436954619 852545333 /nfs/dbraw/zinc/54/53/33/852545333.db2.gz HWCKAUCXPARUSX-UHFFFAOYSA-N -1 3 387.386 3.835 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000436960979 852550725 /nfs/dbraw/zinc/55/07/25/852550725.db2.gz LGELHSSWPYLCMI-CABCVRRESA-N -1 3 385.464 3.886 20 0 GHADHM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436971531 852554700 /nfs/dbraw/zinc/55/47/00/852554700.db2.gz KJFHBOOGYCZAAK-UHFFFAOYSA-N -1 3 376.478 3.749 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c([O-])c1 ZINC000436975434 852559339 /nfs/dbraw/zinc/55/93/39/852559339.db2.gz ACLGMWCVBTUKRR-HSZRJFAPSA-N -1 3 381.472 3.885 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436977537 852565928 /nfs/dbraw/zinc/56/59/28/852565928.db2.gz DSZDQQSYBZOICG-SFHVURJKSA-N -1 3 394.515 3.994 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCCC[C@@H]3C)cs2)c1 ZINC000436983514 852592409 /nfs/dbraw/zinc/59/24/09/852592409.db2.gz XBUHCVCGRKNFNL-AWEZNQCLSA-N -1 3 387.505 3.743 20 0 GHADHM O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000437000917 852616485 /nfs/dbraw/zinc/61/64/85/852616485.db2.gz QAIQCDUDTQRDPU-UHFFFAOYSA-N -1 3 386.920 3.666 20 0 GHADHM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000516481859 852625842 /nfs/dbraw/zinc/62/58/42/852625842.db2.gz SXYAYFGYZORFOU-GJZGRUSLSA-N -1 3 377.387 3.821 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)cc1 ZINC000509561794 852964878 /nfs/dbraw/zinc/96/48/78/852964878.db2.gz ZGBDTTZUTGAPDQ-UHFFFAOYSA-N -1 3 387.486 3.746 20 0 GHADHM Cc1[n-]c(S(=O)(=O)CCCOCCc2ccccc2)nc1-c1ccccc1 ZINC000490464402 853023707 /nfs/dbraw/zinc/02/37/07/853023707.db2.gz OKLSVCDICOOZCF-UHFFFAOYSA-N -1 3 384.501 3.808 20 0 GHADHM Cc1nc(S(=O)(=O)CCCOCCc2ccccc2)[n-]c1-c1ccccc1 ZINC000490464402 853023716 /nfs/dbraw/zinc/02/37/16/853023716.db2.gz OKLSVCDICOOZCF-UHFFFAOYSA-N -1 3 384.501 3.808 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)o1 ZINC000490501729 853056597 /nfs/dbraw/zinc/05/65/97/853056597.db2.gz UXTKMFLRFJDLLO-UHFFFAOYSA-N -1 3 380.363 3.572 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1C ZINC000516826646 853063188 /nfs/dbraw/zinc/06/31/88/853063188.db2.gz IQCRBGPRWFGSOD-UHFFFAOYSA-N -1 3 382.869 3.806 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)NC)c2)cc1CC ZINC000507594632 853086899 /nfs/dbraw/zinc/08/68/99/853086899.db2.gz DBABGKTVRRKBKH-UHFFFAOYSA-N -1 3 379.457 3.503 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1C(F)(F)F ZINC000507618404 853113438 /nfs/dbraw/zinc/11/34/38/853113438.db2.gz CDMQGWSOYHJMQH-UHFFFAOYSA-N -1 3 389.395 3.576 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000490599764 853124996 /nfs/dbraw/zinc/12/49/96/853124996.db2.gz FTHGRHBEHPOOGP-UHFFFAOYSA-N -1 3 397.909 3.801 20 0 GHADHM O=C(COc1ccccc1OCc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000133173340 862435535 /nfs/dbraw/zinc/43/55/35/862435535.db2.gz UKHLFXZEGMKLME-UHFFFAOYSA-N -1 3 381.403 3.806 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC3CC3)c2)cc1 ZINC000437500411 853204232 /nfs/dbraw/zinc/20/42/32/853204232.db2.gz VRKFCHBGQJWZCA-UHFFFAOYSA-N -1 3 386.517 3.976 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913295520 853219072 /nfs/dbraw/zinc/21/90/72/853219072.db2.gz GMRMKZZFCHDOKI-SNVBAGLBSA-N -1 3 389.795 3.516 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913295520 853219080 /nfs/dbraw/zinc/21/90/80/853219080.db2.gz GMRMKZZFCHDOKI-SNVBAGLBSA-N -1 3 389.795 3.516 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913302117 853225080 /nfs/dbraw/zinc/22/50/80/853225080.db2.gz OESJECSFYTURPA-KBPBESRZSA-N -1 3 381.432 3.655 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913302117 853225089 /nfs/dbraw/zinc/22/50/89/853225089.db2.gz OESJECSFYTURPA-KBPBESRZSA-N -1 3 381.432 3.655 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccc(F)cc4nc3C)nc21 ZINC000157789521 862452234 /nfs/dbraw/zinc/45/22/34/862452234.db2.gz ZVGBUDWIHGETKC-UHFFFAOYSA-N -1 3 378.363 3.598 20 0 GHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000519789564 853471958 /nfs/dbraw/zinc/47/19/58/853471958.db2.gz ZVCLEBCAFCFBBP-RBUKOAKNSA-N -1 3 375.490 3.787 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Br)s1 ZINC000604772875 862469830 /nfs/dbraw/zinc/46/98/30/862469830.db2.gz UFMDDVPYFCUHAQ-XVKPBYJWSA-N -1 3 394.262 3.623 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2cn(-c3ccccc3)nn2)s1)c1ccccc1 ZINC000518564772 853496354 /nfs/dbraw/zinc/49/63/54/853496354.db2.gz NIVPKYNHAKOEBI-INIZCTEOSA-N -1 3 390.472 3.913 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)n1 ZINC000519846811 853540374 /nfs/dbraw/zinc/54/03/74/853540374.db2.gz WNSIGBNPXXXPHH-UHFFFAOYSA-N -1 3 378.457 3.887 20 0 GHADHM O=C(COC(=O)c1cc2c(s1)CCCCCC2)[N-]C(=O)c1cccs1 ZINC000007089966 853568483 /nfs/dbraw/zinc/56/84/83/853568483.db2.gz JBEBEWRKUIOPKQ-UHFFFAOYSA-N -1 3 377.487 3.582 20 0 GHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000506576752 853652597 /nfs/dbraw/zinc/65/25/97/853652597.db2.gz GFMPSPXKUFYZDJ-LJQANCHMSA-N -1 3 395.480 3.637 20 0 GHADHM FC(F)c1n[n-]c(=N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000570961810 853661410 /nfs/dbraw/zinc/66/14/10/853661410.db2.gz RFMCZJYMDYXQHA-NSHDSACASA-N -1 3 378.370 3.603 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000473891183 853685354 /nfs/dbraw/zinc/68/53/54/853685354.db2.gz QHIGQHOHDFKRHY-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000473891183 853685361 /nfs/dbraw/zinc/68/53/61/853685361.db2.gz QHIGQHOHDFKRHY-GFCCVEGCSA-N -1 3 389.381 3.942 20 0 GHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481890130 862494726 /nfs/dbraw/zinc/49/47/26/862494726.db2.gz HVZZVSJDGVNQRK-INIZCTEOSA-N -1 3 388.393 3.856 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(C)s2)cc1Cl ZINC000729484865 853812954 /nfs/dbraw/zinc/81/29/54/853812954.db2.gz UCRKZASLKOYNPJ-SECBINFHSA-N -1 3 390.889 3.847 20 0 GHADHM COc1cccc(COc2cccc(Cl)c2CN[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000571298634 853833084 /nfs/dbraw/zinc/83/30/84/853833084.db2.gz HITBXPAYCKZFOY-SHTZXODSSA-N -1 3 375.852 3.880 20 0 GHADHM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(CCCl)cc1 ZINC000055631433 854046703 /nfs/dbraw/zinc/04/67/03/854046703.db2.gz RYMOGWVUCGQWBE-SFHVURJKSA-N -1 3 395.908 3.827 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCc3ccc(Br)cc31)c2=O ZINC000732834043 862532755 /nfs/dbraw/zinc/53/27/55/862532755.db2.gz BTUYTVRCBSGHPW-UHFFFAOYSA-N -1 3 399.244 3.502 20 0 GHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000588215609 854219062 /nfs/dbraw/zinc/21/90/62/854219062.db2.gz ODPMWVAUMKXJKC-UHFFFAOYSA-N -1 3 390.424 3.603 20 0 GHADHM CCN(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000729490762 854405929 /nfs/dbraw/zinc/40/59/29/854405929.db2.gz ZFNQNQNPQOSTTO-UHFFFAOYSA-N -1 3 397.324 3.529 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c1Cl ZINC000328776871 854537393 /nfs/dbraw/zinc/53/73/93/854537393.db2.gz IGMHYTISDYEICK-CYBMUJFWSA-N -1 3 378.321 3.929 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc(OC[C@@H]4CCCO4)cc3)cc(=O)oc12 ZINC000056186107 854559238 /nfs/dbraw/zinc/55/92/38/854559238.db2.gz LOBPJTVUUJYIFI-SFHVURJKSA-N -1 3 381.428 3.977 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(OC(F)F)cc3)nc2)n1 ZINC000068660660 854606032 /nfs/dbraw/zinc/60/60/32/854606032.db2.gz DZFCGGLPNGRODG-UHFFFAOYSA-N -1 3 386.402 3.650 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3COC(C)C)nc2)n1 ZINC000068663098 854607055 /nfs/dbraw/zinc/60/70/55/854607055.db2.gz VNWWGZRTPHEGTK-UHFFFAOYSA-N -1 3 378.476 3.931 20 0 GHADHM COc1cccc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000671778766 854763838 /nfs/dbraw/zinc/76/38/38/854763838.db2.gz SDFPMNGDYOGUIZ-UHFFFAOYSA-N -1 3 376.250 3.511 20 0 GHADHM Cc1csc(C2([N-]C(=O)C(F)(F)Oc3ccc(C=O)cc3)CCCC2)n1 ZINC000732974007 862620034 /nfs/dbraw/zinc/62/00/34/862620034.db2.gz IAMKVTZBAPGTOA-UHFFFAOYSA-N -1 3 380.416 3.821 20 0 GHADHM COc1ccc2c(c1)CCN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CC2 ZINC000536346123 854975847 /nfs/dbraw/zinc/97/58/47/854975847.db2.gz SNHOFPLFWNRBFH-UHFFFAOYSA-N -1 3 375.428 3.691 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000127490614 854997683 /nfs/dbraw/zinc/99/76/83/854997683.db2.gz JCTYAIBUNOEHFQ-UHFFFAOYSA-N -1 3 383.193 3.609 20 0 GHADHM O=C(CCCc1ccc(Br)s1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000127490614 854997690 /nfs/dbraw/zinc/99/76/90/854997690.db2.gz JCTYAIBUNOEHFQ-UHFFFAOYSA-N -1 3 383.193 3.609 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000589686862 855107157 /nfs/dbraw/zinc/10/71/57/855107157.db2.gz GEOWQXLILOHBIY-UHFFFAOYSA-N -1 3 387.848 3.538 20 0 GHADHM O=S(=O)([N-]c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 ZINC000106008820 855166470 /nfs/dbraw/zinc/16/64/70/855166470.db2.gz AXHRGGHUFOVEFJ-UHFFFAOYSA-N -1 3 379.441 3.714 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc(-c2ccccn2)s1 ZINC000589877266 855168835 /nfs/dbraw/zinc/16/88/35/855168835.db2.gz YYHIKESJBTYVTC-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1C ZINC000604971671 862650117 /nfs/dbraw/zinc/65/01/17/862650117.db2.gz JMNVEGPWECTWOR-GOSISDBHSA-N -1 3 391.489 3.671 20 0 GHADHM CC[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000589949651 855202498 /nfs/dbraw/zinc/20/24/98/855202498.db2.gz XQBIPHJFLLXTBN-HNNXBMFYSA-N -1 3 376.453 3.641 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000589972588 855212074 /nfs/dbraw/zinc/21/20/74/855212074.db2.gz KLPUYKBXBPLGJP-UHFFFAOYSA-N -1 3 385.427 3.941 20 0 GHADHM O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000589972588 855212076 /nfs/dbraw/zinc/21/20/76/855212076.db2.gz KLPUYKBXBPLGJP-UHFFFAOYSA-N -1 3 385.427 3.941 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc(-c4cccnc4)s3)cc2)n1 ZINC000536380870 855244203 /nfs/dbraw/zinc/24/42/03/855244203.db2.gz CVDVYAHGNSNSRV-UHFFFAOYSA-N -1 3 389.440 3.516 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000590106971 855281583 /nfs/dbraw/zinc/28/15/83/855281583.db2.gz FMWFIQTYSSEITL-UHFFFAOYSA-N -1 3 376.460 3.786 20 0 GHADHM CC[C@H](c1nnc([N-]C(=O)c2c(C)nn3cccnc23)s1)c1ccccc1 ZINC000106719913 855287147 /nfs/dbraw/zinc/28/71/47/855287147.db2.gz GVEYQSQDIRMVAE-AWEZNQCLSA-N -1 3 378.461 3.683 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccc(OC)c(F)c4)C3)nc2)n1 ZINC000624738538 855496285 /nfs/dbraw/zinc/49/62/85/855496285.db2.gz TUWMMWPJSJOFGX-INIZCTEOSA-N -1 3 394.450 3.948 20 0 GHADHM O=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000057560300 855500292 /nfs/dbraw/zinc/50/02/92/855500292.db2.gz KQVYVZCRPZETOM-UHFFFAOYSA-N -1 3 386.404 3.584 20 0 GHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590614263 855508678 /nfs/dbraw/zinc/50/86/78/855508678.db2.gz VVKDNSZHFODNRJ-GDBMZVCRSA-N -1 3 397.541 3.937 20 0 GHADHM O=C(Cc1noc(-c2cc3c(cc2[O-])OCO3)n1)Nc1cccc2ccccc21 ZINC000445343037 855658818 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/nfs/dbraw/zinc/74/27/68/857742768.db2.gz BNAIYVNHCOTFMR-UHFFFAOYSA-N -1 3 394.431 3.670 20 0 GHADHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)n1 ZINC001129180167 857743433 /nfs/dbraw/zinc/74/34/33/857743433.db2.gz BLPGZNNVJMJZQJ-UHFFFAOYSA-N -1 3 389.408 3.640 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000907757707 857763133 /nfs/dbraw/zinc/76/31/33/857763133.db2.gz IZJQCFZDPBUFTM-UHFFFAOYSA-N -1 3 395.377 3.543 20 0 GHADHM [O-]c1c(F)cc(F)cc1Nc1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001212481663 857798373 /nfs/dbraw/zinc/79/83/73/857798373.db2.gz BXUBTUYCURNBIV-NSHDSACASA-N -1 3 381.770 3.906 20 0 GHADHM Cc1nc(C)c(CC(=O)OCC(=O)c2ccc(C(C)C)cc2C(C)C)c(=O)[n-]1 ZINC000046416858 857798732 /nfs/dbraw/zinc/79/87/32/857798732.db2.gz MNKZOJSMGYIKIU-UHFFFAOYSA-N -1 3 384.476 3.602 20 0 GHADHM O=C(Cc1ccccc1OC(F)F)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000605332036 862960492 /nfs/dbraw/zinc/96/04/92/862960492.db2.gz BPVVZCMZGHRZEG-UHFFFAOYSA-N -1 3 377.778 3.935 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000486623281 857909558 /nfs/dbraw/zinc/90/95/58/857909558.db2.gz CQRORGZDPMRQSH-CYBMUJFWSA-N -1 3 387.343 3.972 20 0 GHADHM CN1CC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000281339281 862979901 /nfs/dbraw/zinc/97/99/01/862979901.db2.gz UPOBLOXBOLPFBV-VOJFVSQTSA-N -1 3 398.812 3.886 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccc2s1 ZINC000574581243 858069414 /nfs/dbraw/zinc/06/94/14/858069414.db2.gz FOCHGHRNCXQCRZ-UHFFFAOYSA-N -1 3 383.429 3.703 20 0 GHADHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Oc1ccccc1 ZINC000078549655 858097054 /nfs/dbraw/zinc/09/70/54/858097054.db2.gz LDQJHNYFBUXIKS-AWEZNQCLSA-N -1 3 386.407 3.854 20 0 GHADHM O=C(NCCCc1cccc(Br)c1)c1c[n-]c2ccccc2c1=O ZINC000066443415 858130098 /nfs/dbraw/zinc/13/00/98/858130098.db2.gz MHWKYZREZRLZDX-UHFFFAOYSA-N -1 3 385.261 3.653 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594397737 858148923 /nfs/dbraw/zinc/14/89/23/858148923.db2.gz ABZRAQPURRPDJM-CWRNSKLLSA-N -1 3 398.503 3.650 20 0 GHADHM O=S(=O)([N-]c1cc(F)cc(F)c1Br)c1cncc(Cl)c1 ZINC000442856674 858195005 /nfs/dbraw/zinc/19/50/05/858195005.db2.gz RHBHUVDICFHEAD-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000594816177 858285264 /nfs/dbraw/zinc/28/52/64/858285264.db2.gz RFUDSFMQNZZWFQ-UHFFFAOYSA-N -1 3 398.775 3.914 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000443050097 858316952 /nfs/dbraw/zinc/31/69/52/858316952.db2.gz UEKOPDAQIKCVAB-HNNXBMFYSA-N -1 3 395.349 3.864 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000733551688 863017736 /nfs/dbraw/zinc/01/77/36/863017736.db2.gz YMBWCEZBSGFOQJ-OAHLLOKOSA-N -1 3 389.473 3.529 20 0 GHADHM COC(=O)c1sc2[n-]c(CSCCCc3ccccc3)nc(=O)c2c1C ZINC000521959516 858487634 /nfs/dbraw/zinc/48/76/34/858487634.db2.gz FFOLTODIVUFYSJ-UHFFFAOYSA-N -1 3 388.514 3.946 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000443261627 858512016 /nfs/dbraw/zinc/51/20/16/858512016.db2.gz KWIFLIIJGQTBPF-OAHLLOKOSA-N -1 3 383.828 3.546 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c1Cl ZINC000443270479 858518477 /nfs/dbraw/zinc/51/84/77/858518477.db2.gz NGKHXLYQUAELJC-LBPRGKRZSA-N -1 3 396.242 3.592 20 0 GHADHM O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000575134627 858572206 /nfs/dbraw/zinc/57/22/06/858572206.db2.gz DMRBJCKHTDTWAG-UHFFFAOYSA-N -1 3 396.350 3.820 20 0 GHADHM CC[C@@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)C(C)(C)C ZINC000522067601 858574962 /nfs/dbraw/zinc/57/49/62/858574962.db2.gz HTAKCOIKRMPRJT-CQSZACIVSA-N -1 3 383.448 3.547 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c[n-]c12 ZINC000676627487 858722493 /nfs/dbraw/zinc/72/24/93/858722493.db2.gz YZVZYROCBQRVQO-UHFFFAOYSA-N -1 3 386.333 3.973 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Br)s2)CCC1)c1ccco1 ZINC000509617608 858815617 /nfs/dbraw/zinc/81/56/17/858815617.db2.gz LRHNGMFSMXOBDC-UHFFFAOYSA-N -1 3 376.297 3.504 20 0 GHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1c(Cl)cccc1Br ZINC000314403452 858825777 /nfs/dbraw/zinc/82/57/77/858825777.db2.gz WUEJSJJGZJJJPZ-LLVKDONJSA-N -1 3 386.698 3.721 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000443492861 858826996 /nfs/dbraw/zinc/82/69/96/858826996.db2.gz RNUWCOXDEOJAHT-RISCZKNCSA-N -1 3 399.862 3.968 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)n[n-]1 ZINC000895237854 858847389 /nfs/dbraw/zinc/84/73/89/858847389.db2.gz ICHVPRJMOYHIHR-MRVPVSSYSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)[n-]1 ZINC000895237854 858847401 /nfs/dbraw/zinc/84/74/01/858847401.db2.gz ICHVPRJMOYHIHR-MRVPVSSYSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000895237854 858847414 /nfs/dbraw/zinc/84/74/14/858847414.db2.gz ICHVPRJMOYHIHR-MRVPVSSYSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2ccc(Cl)c(C(F)(F)F)c2)n[n-]1 ZINC000895237161 858855558 /nfs/dbraw/zinc/85/55/58/858855558.db2.gz VFDITYSHAINXBE-MRVPVSSYSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000895237161 858855569 /nfs/dbraw/zinc/85/55/69/858855569.db2.gz VFDITYSHAINXBE-MRVPVSSYSA-N -1 3 376.766 3.504 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000895237161 858855577 /nfs/dbraw/zinc/85/55/77/858855577.db2.gz VFDITYSHAINXBE-MRVPVSSYSA-N -1 3 376.766 3.504 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000729538272 858877197 /nfs/dbraw/zinc/87/71/97/858877197.db2.gz OEVMCOWNZJLFNG-OAHLLOKOSA-N -1 3 376.497 3.845 20 0 GHADHM CCC(CC)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccs1 ZINC000482862330 858927289 /nfs/dbraw/zinc/92/72/89/858927289.db2.gz YEEHVOBMBGOMNZ-GFCCVEGCSA-N -1 3 375.420 3.862 20 0 GHADHM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1C ZINC000094056954 858986639 /nfs/dbraw/zinc/98/66/39/858986639.db2.gz SMIPSVSNZMTDTP-UHFFFAOYSA-N -1 3 376.478 3.667 20 0 GHADHM CC(C)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000482945736 859000665 /nfs/dbraw/zinc/00/06/65/859000665.db2.gz OITBWCADAKDSNS-UHFFFAOYSA-N -1 3 396.200 3.865 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccnc2Oc2cccc(C)c2C)c(=O)[n-]1 ZINC000543276838 859108589 /nfs/dbraw/zinc/10/85/89/859108589.db2.gz CFQLXBKAPJNASI-UHFFFAOYSA-N -1 3 379.420 3.616 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)cc1C ZINC000522359961 859183884 /nfs/dbraw/zinc/18/38/84/859183884.db2.gz RQGXSFXYRMXLNI-UHFFFAOYSA-N -1 3 383.473 3.960 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)c(C)c1 ZINC000509378112 859229481 /nfs/dbraw/zinc/22/94/81/859229481.db2.gz JWZFOJBEJLTJPE-UHFFFAOYSA-N -1 3 386.395 3.995 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cccc(Br)c1 ZINC000509389409 859279005 /nfs/dbraw/zinc/27/90/05/859279005.db2.gz UMOPPWYHSDKWAB-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000509392599 859292890 /nfs/dbraw/zinc/29/28/90/859292890.db2.gz RNBCNMYOFCCIKK-VIFPVBQESA-N -1 3 380.413 3.606 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc(C2CC2)no1 ZINC000069128878 859358030 /nfs/dbraw/zinc/35/80/30/859358030.db2.gz ZOYGSUOOGGCOLS-INIZCTEOSA-N -1 3 377.510 3.920 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000195699410 859398675 /nfs/dbraw/zinc/39/86/75/859398675.db2.gz VDHRBARELHHYGW-UHFFFAOYSA-N -1 3 376.412 3.970 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483541341 859438555 /nfs/dbraw/zinc/43/85/55/859438555.db2.gz GEVFXNXJFIABGI-UONOGXRCSA-N -1 3 381.402 3.691 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(F)cc1F ZINC000543688397 859452845 /nfs/dbraw/zinc/45/28/45/859452845.db2.gz XPQQRKQFIMHRBG-WMLDXEAASA-N -1 3 385.407 3.611 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1cc(Br)ccc1F ZINC000466746808 859461409 /nfs/dbraw/zinc/46/14/09/859461409.db2.gz XMFMKWXYZZHSDT-UHFFFAOYSA-N -1 3 383.242 3.548 20 0 GHADHM CCN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H](C)c1cc2ccccc2o1 ZINC000483569256 859466439 /nfs/dbraw/zinc/46/64/39/859466439.db2.gz TYYFRUPOVDMUSD-SNVBAGLBSA-N -1 3 381.358 3.862 20 0 GHADHM Cc1ccc(CN(Cc2ccco2)C(=O)NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000483569416 859466593 /nfs/dbraw/zinc/46/65/93/859466593.db2.gz PVDYRGLEDFUUNX-UHFFFAOYSA-N -1 3 399.398 3.698 20 0 GHADHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1(c2ccccc2)CCCC1 ZINC000483570772 859467147 /nfs/dbraw/zinc/46/71/47/859467147.db2.gz GIWLRWULUVMWJE-GFCCVEGCSA-N -1 3 381.402 3.523 20 0 GHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483571372 859467566 /nfs/dbraw/zinc/46/75/66/859467566.db2.gz HJFCEAXBZBXOED-QMMMGPOBSA-N -1 3 395.307 3.745 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483571067 859468768 /nfs/dbraw/zinc/46/87/68/859468768.db2.gz UOGBSUMDRZEAHE-UHFFFAOYSA-N -1 3 389.809 3.989 20 0 GHADHM CSc1ccc(Cl)c(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000673504949 859612636 /nfs/dbraw/zinc/61/26/36/859612636.db2.gz UNDOGMPWUGNNPF-QWRGUYRKSA-N -1 3 393.896 3.556 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000673502663 859625532 /nfs/dbraw/zinc/62/55/32/859625532.db2.gz FHVWBCALBIBBIM-CABCVRRESA-N -1 3 399.466 3.518 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCc4c3cccc4C)nc(=O)c2c1C ZINC000611207597 859644422 /nfs/dbraw/zinc/64/44/22/859644422.db2.gz SJTHLHFOCBSGME-ZDUSSCGKSA-N -1 3 397.500 3.902 20 0 GHADHM C[C@@H](c1ccncc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000543431363 859694661 /nfs/dbraw/zinc/69/46/61/859694661.db2.gz DGQDLFNXQXLPCN-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM CC[C@H](C(=O)OC(C)(C)C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000483934470 859706620 /nfs/dbraw/zinc/70/66/20/859706620.db2.gz PDSKUNARMNXXBW-MRXNPFEDSA-N -1 3 396.915 3.816 20 0 GHADHM C[C@H](CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000765007804 859733763 /nfs/dbraw/zinc/73/37/63/859733763.db2.gz WFTMBESYPNQQHG-GFCCVEGCSA-N -1 3 390.402 3.947 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2c(F)cc(Br)cc2F)c(F)c1 ZINC000484086123 859809890 /nfs/dbraw/zinc/80/98/90/859809890.db2.gz UFKIVCSRFSULIP-UHFFFAOYSA-N -1 3 388.139 3.905 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1[O-] ZINC000597778049 859811468 /nfs/dbraw/zinc/81/14/68/859811468.db2.gz HUHQGNXCYYJVGJ-MRXNPFEDSA-N -1 3 375.465 3.711 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1F ZINC000484164270 859857103 /nfs/dbraw/zinc/85/71/03/859857103.db2.gz RJDLKUMFXWPTRX-UHFFFAOYSA-N -1 3 382.420 3.873 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000765244360 859863339 /nfs/dbraw/zinc/86/33/39/859863339.db2.gz UJWCXFQHISBNPS-MEBBXXQBSA-N -1 3 392.279 3.923 20 0 GHADHM CN1CC[C@H]([N-]C(=O)C(F)(F)c2ccc(F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765312403 859901377 /nfs/dbraw/zinc/90/13/77/859901377.db2.gz XGEVXUJFSAGQLS-IRXDYDNUSA-N -1 3 384.348 3.757 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cc2cccc(F)c2o1 ZINC000474385613 859955832 /nfs/dbraw/zinc/95/58/32/859955832.db2.gz UGEINAFXUJBARR-SNVBAGLBSA-N -1 3 395.383 3.537 20 0 GHADHM CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440946567 859977958 /nfs/dbraw/zinc/97/79/58/859977958.db2.gz GYVFJSNOWKIBKH-OAHLLOKOSA-N -1 3 399.497 3.529 20 0 GHADHM O=C(Nc1ccn(Cc2ccccn2)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000727169291 859981888 /nfs/dbraw/zinc/98/18/88/859981888.db2.gz SPYOPNRFARKTEH-UHFFFAOYSA-N -1 3 384.439 3.875 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1C ZINC000727319682 860044912 /nfs/dbraw/zinc/04/49/12/860044912.db2.gz APNHAOGECAMMLL-WMLDXEAASA-N -1 3 398.544 3.943 20 0 GHADHM Cc1ccnc(CN[C@H](CCc2ccccc2)CC(=O)[O-])c1Br ZINC000904040321 860058898 /nfs/dbraw/zinc/05/88/98/860058898.db2.gz MNPWBDJUZSHGIW-OAHLLOKOSA-N -1 3 377.282 3.718 20 0 GHADHM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)[C@@H](O)Cc1ccccc1 ZINC000904050255 860069594 /nfs/dbraw/zinc/06/95/94/860069594.db2.gz XZDHRXBKGWETLF-HOTGVXAUSA-N -1 3 387.785 3.505 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436560468 860089374 /nfs/dbraw/zinc/08/93/74/860089374.db2.gz FVQKITLCTZRSJJ-UHFFFAOYSA-N -1 3 394.358 3.765 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c([O-])c1C ZINC000115726510 860107331 /nfs/dbraw/zinc/10/73/31/860107331.db2.gz YAOZCYWHTWKLDK-HHHXNRCGSA-N -1 3 387.501 3.689 20 0 GHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000526893982 860162433 /nfs/dbraw/zinc/16/24/33/860162433.db2.gz UTNQTQAVEKVCFY-IBGZPJMESA-N -1 3 378.403 3.562 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000527169828 860169497 /nfs/dbraw/zinc/16/94/97/860169497.db2.gz SJAPZQOEZRJADQ-GOSISDBHSA-N -1 3 398.821 3.873 20 0 GHADHM COc1cc(F)ccc1N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527455182 860180516 /nfs/dbraw/zinc/18/05/16/860180516.db2.gz LUOKWCOYAVIKAG-UHFFFAOYSA-N -1 3 380.419 3.656 20 0 GHADHM Cc1cc(N)nc(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000058414321 860235260 /nfs/dbraw/zinc/23/52/60/860235260.db2.gz YFVKRDNZAYTYGI-VIFPVBQESA-N -1 3 385.474 3.779 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904216768 860236881 /nfs/dbraw/zinc/23/68/81/860236881.db2.gz BXANGGPDVDQREQ-PXNSSMCTSA-N -1 3 397.519 3.506 20 0 GHADHM CCSc1ccc(CC(=O)Nc2n[n-]c(SC)n2)c(Br)c1 ZINC000624925717 860248429 /nfs/dbraw/zinc/24/84/29/860248429.db2.gz VJTBEFCMNYWERP-UHFFFAOYSA-N -1 3 387.328 3.582 20 0 GHADHM CC[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccccc1F ZINC000904224981 860248998 /nfs/dbraw/zinc/24/89/98/860248998.db2.gz SCGRIHNROKYYMK-INIZCTEOSA-N -1 3 390.455 3.667 20 0 GHADHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000673587014 860279795 /nfs/dbraw/zinc/27/97/95/860279795.db2.gz SBPLSOHMESZWFS-UHFFFAOYSA-N -1 3 398.269 3.622 20 0 GHADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000494327976 881532025 /nfs/dbraw/zinc/53/20/25/881532025.db2.gz KRUGNEXWFJFGMR-MRVPVSSYSA-N -1 3 392.212 3.988 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000006436357 860396403 /nfs/dbraw/zinc/39/64/03/860396403.db2.gz XEZFVPBEWAIDMT-KSSFIOAISA-N -1 3 390.480 3.935 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603041761 860453574 /nfs/dbraw/zinc/45/35/74/860453574.db2.gz QWPWMOZPSZMWRE-JTQLQIEISA-N -1 3 384.855 3.660 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000671634733 860529816 /nfs/dbraw/zinc/52/98/16/860529816.db2.gz KKFSHJFBPHXFQD-HMXCVIKNSA-N -1 3 397.471 3.577 20 0 GHADHM CCCCc1nc(NC(=O)CCOc2c(C)cccc2C)c(C(=O)OCC)[n-]1 ZINC001127966989 860536474 /nfs/dbraw/zinc/53/64/74/860536474.db2.gz SEDPPQCSVLSUJU-UHFFFAOYSA-N -1 3 387.480 3.953 20 0 GHADHM C[C@H]1CN(Cc2csc(NC(=O)c3cc([O-])c4ccccc4c3)n2)C[C@H](C)O1 ZINC000471856889 860545858 /nfs/dbraw/zinc/54/58/58/860545858.db2.gz MWSDVTMRJIBGJF-KBPBESRZSA-N -1 3 397.500 3.863 20 0 GHADHM O=S(=O)([N-]Cc1nc(C2CCCCCC2)no1)c1ccc(Cl)s1 ZINC000904680683 860547233 /nfs/dbraw/zinc/54/72/33/860547233.db2.gz ZWSOCLWNTJLVOK-UHFFFAOYSA-N -1 3 375.903 3.701 20 0 GHADHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000116358469 860547737 /nfs/dbraw/zinc/54/77/37/860547737.db2.gz YMUYRKWNUSYSTM-CYBMUJFWSA-N -1 3 398.450 3.608 20 0 GHADHM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000671660771 860575316 /nfs/dbraw/zinc/57/53/16/860575316.db2.gz YKZHCUIUJVSDCT-UHFFFAOYSA-N -1 3 375.450 3.877 20 0 GHADHM CC1(C)[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1OCc1ccccc1 ZINC000474674760 860612001 /nfs/dbraw/zinc/61/20/01/860612001.db2.gz BKCJOBSWOOGOIW-SFTDATJTSA-N -1 3 376.456 3.642 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000474778875 860780671 /nfs/dbraw/zinc/78/06/71/860780671.db2.gz CYTQDUBBXMGUIQ-UHFFFAOYSA-N -1 3 390.461 3.561 20 0 GHADHM CC[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)c1ccc(Cl)cc1 ZINC000763886406 860895980 /nfs/dbraw/zinc/89/59/80/860895980.db2.gz ATGWVTOBUYMXAO-MRXNPFEDSA-N -1 3 395.864 3.530 20 0 GHADHM COc1cccc(-c2nsc([N-]C(=O)c3coc(Br)c3)n2)c1 ZINC000102910905 860899459 /nfs/dbraw/zinc/89/94/59/860899459.db2.gz CEKOKBPHNZLWRX-UHFFFAOYSA-N -1 3 380.223 3.822 20 0 GHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)s1 ZINC000176536718 860930946 /nfs/dbraw/zinc/93/09/46/860930946.db2.gz RJHOSQVBMIHFIZ-SNVBAGLBSA-N -1 3 392.481 3.993 20 0 GHADHM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])c1C ZINC000730364058 861030054 /nfs/dbraw/zinc/03/00/54/861030054.db2.gz BGTLGZPTAZUKTQ-LBPRGKRZSA-N -1 3 392.249 3.956 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509104338 861061943 /nfs/dbraw/zinc/06/19/43/861061943.db2.gz VQUYEOBZKRCFOB-UHFFFAOYSA-N -1 3 390.358 3.912 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])c(C)c1 ZINC000730366969 861076357 /nfs/dbraw/zinc/07/63/57/861076357.db2.gz ZSUUUBLMPTVPIV-LBPRGKRZSA-N -1 3 392.249 3.956 20 0 GHADHM CCCCn1cc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c(C)n1 ZINC000474853996 861157067 /nfs/dbraw/zinc/15/70/67/861157067.db2.gz RSBOLEHUTPFTKY-UHFFFAOYSA-N -1 3 387.871 3.718 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)cc2)ccc1C ZINC000605496394 863115032 /nfs/dbraw/zinc/11/50/32/863115032.db2.gz OJQXCSRXWSSDHZ-UHFFFAOYSA-N -1 3 398.488 3.557 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)c(Cl)c1F ZINC000444019726 863137299 /nfs/dbraw/zinc/13/72/99/863137299.db2.gz JDFGMVNEGZLWAL-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)c(Cl)c1F ZINC000444019726 863137301 /nfs/dbraw/zinc/13/73/01/863137301.db2.gz JDFGMVNEGZLWAL-UHFFFAOYSA-N -1 3 387.518 3.631 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N(C)CC2CC2)cc1 ZINC000823633699 863144516 /nfs/dbraw/zinc/14/45/16/863144516.db2.gz RINCIWHGBAAVLC-UHFFFAOYSA-N -1 3 387.505 3.978 20 0 GHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1 ZINC000605613261 863195487 /nfs/dbraw/zinc/19/54/87/863195487.db2.gz AXGSWNAWIPDEKA-UHFFFAOYSA-N -1 3 377.506 3.935 20 0 GHADHM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000281588771 863269439 /nfs/dbraw/zinc/26/94/39/863269439.db2.gz TYTZNGRLERXEGZ-UHFFFAOYSA-N -1 3 385.855 3.518 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OCCC ZINC000120626651 881643564 /nfs/dbraw/zinc/64/35/64/881643564.db2.gz GMQDKQUJYVFQJK-UHFFFAOYSA-N -1 3 386.374 3.582 20 0 GHADHM CCCOc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OCCC ZINC000120626651 881643567 /nfs/dbraw/zinc/64/35/67/881643567.db2.gz GMQDKQUJYVFQJK-UHFFFAOYSA-N -1 3 386.374 3.582 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000120627993 881645222 /nfs/dbraw/zinc/64/52/22/881645222.db2.gz SOYWAYVTLCNQDP-HZPDHXFCSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000120627993 881645228 /nfs/dbraw/zinc/64/52/28/881645228.db2.gz SOYWAYVTLCNQDP-HZPDHXFCSA-N -1 3 387.365 3.552 20 0 GHADHM COCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444078175 863319785 /nfs/dbraw/zinc/31/97/85/863319785.db2.gz OCAFTZVTJQLDTH-UHFFFAOYSA-N -1 3 395.546 3.611 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1)C(C)C ZINC000172351388 863501544 /nfs/dbraw/zinc/50/15/44/863501544.db2.gz UDUSABZSVUNTFB-UHFFFAOYSA-N -1 3 389.521 3.989 20 0 GHADHM CSc1nc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)n[n-]1 ZINC000444146429 863536658 /nfs/dbraw/zinc/53/66/58/863536658.db2.gz YAVJTAKSZORSET-UHFFFAOYSA-N -1 3 384.852 3.771 20 0 GHADHM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000606530256 863688273 /nfs/dbraw/zinc/68/82/73/863688273.db2.gz HOBQQFBIFVPWSH-UHFFFAOYSA-N -1 3 390.395 3.554 20 0 GHADHM Cc1ncc(CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(=O)[n-]1 ZINC000444301871 863842509 /nfs/dbraw/zinc/84/25/09/863842509.db2.gz OIGPUOGCLFLRJK-UHFFFAOYSA-N -1 3 385.773 3.511 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC2CC1(C)C2 ZINC000621208505 863871128 /nfs/dbraw/zinc/87/11/28/863871128.db2.gz IZPLJSAIRWPOQO-UHFFFAOYSA-N -1 3 388.464 3.559 20 0 GHADHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cs1 ZINC000103159717 863896642 /nfs/dbraw/zinc/89/66/42/863896642.db2.gz PRGTYYIQEDYYIG-UHFFFAOYSA-N -1 3 396.431 3.945 20 0 GHADHM CC(C)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000606871183 863909197 /nfs/dbraw/zinc/90/91/97/863909197.db2.gz NPHFNULGSISGGF-CQSZACIVSA-N -1 3 378.469 3.648 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccc(Cl)s1 ZINC000734001751 863912200 /nfs/dbraw/zinc/91/22/00/863912200.db2.gz DCHVJXRYWSZWKE-NSHDSACASA-N -1 3 391.873 3.757 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)c([O-])c1 ZINC001142578054 864025183 /nfs/dbraw/zinc/02/51/83/864025183.db2.gz LQMINCQYKOJUMH-HSZRJFAPSA-N -1 3 398.478 3.583 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1nc2ccccc2s1 ZINC000734140780 864029289 /nfs/dbraw/zinc/02/92/89/864029289.db2.gz JBWFNYJRLGUSJT-LLVKDONJSA-N -1 3 376.384 3.958 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1nc2ccccc2s1 ZINC000734155385 864059783 /nfs/dbraw/zinc/05/97/83/864059783.db2.gz YWOJEEQYDUSXBG-JTQLQIEISA-N -1 3 392.893 3.637 20 0 GHADHM CC[C@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000554298007 864076921 /nfs/dbraw/zinc/07/69/21/864076921.db2.gz IJGRSHTUXGSHSY-AULYBMBSSA-N -1 3 377.282 3.989 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](C(C)(C)C)C[C@H]3C)nc(=O)c2c1C ZINC000554310881 864112174 /nfs/dbraw/zinc/11/21/74/864112174.db2.gz JVQZEHNNHBPEIL-DGCLKSJQSA-N -1 3 391.537 3.726 20 0 GHADHM O=c1[n-]c(SC[C@@H]2OCCc3ccccc32)nc2c1cnn2-c1ccccc1 ZINC000734307809 864138256 /nfs/dbraw/zinc/13/82/56/864138256.db2.gz SNQVVZKHHRBXEX-SFHVURJKSA-N -1 3 390.468 3.927 20 0 GHADHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc2C[C@@H]1C ZINC000028679744 864207571 /nfs/dbraw/zinc/20/75/71/864207571.db2.gz BFBTXTUBBBCSPB-JTQLQIEISA-N -1 3 382.844 3.577 20 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/nfs/dbraw/zinc/32/27/06/864322706.db2.gz LNZZSEORHAERKX-INIZCTEOSA-N -1 3 394.381 3.674 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)Cc2nc(-c3cccs3)oc2C)[nH][n-]1 ZINC000621654616 864350029 /nfs/dbraw/zinc/35/00/29/864350029.db2.gz MOTNYNOYTZTLBY-UHFFFAOYSA-N -1 3 394.456 3.713 20 0 GHADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000554535093 864494043 /nfs/dbraw/zinc/49/40/43/864494043.db2.gz ZXKYEKUBOFIJPR-LBPRGKRZSA-N -1 3 378.354 3.580 20 0 GHADHM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000897101040 864511977 /nfs/dbraw/zinc/51/19/77/864511977.db2.gz XVIRINSAJMRBGS-DJJJIMSYSA-N -1 3 398.409 3.704 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2)n1 ZINC000607613360 864557057 /nfs/dbraw/zinc/55/70/57/864557057.db2.gz JTFNKBPKAGUODQ-UHFFFAOYSA-N -1 3 378.457 3.838 20 0 GHADHM COc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc(OC)c1[O-] ZINC000164000920 864584512 /nfs/dbraw/zinc/58/45/12/864584512.db2.gz QMVSLZWBXBENRW-UHFFFAOYSA-N -1 3 398.484 3.814 20 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865152293 /nfs/dbraw/zinc/15/22/93/865152293.db2.gz LXNKKSQEQKZVEF-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)nc2)n1 ZINC000301166510 865201415 /nfs/dbraw/zinc/20/14/15/865201415.db2.gz HUNBENVUBVERHT-HNAYVOBHSA-N -1 3 376.460 3.773 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736424386 865203757 /nfs/dbraw/zinc/20/37/57/865203757.db2.gz QWSWMCCHTMDWMN-KBPBESRZSA-N -1 3 396.520 3.714 20 0 GHADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736424386 865203773 /nfs/dbraw/zinc/20/37/73/865203773.db2.gz QWSWMCCHTMDWMN-KBPBESRZSA-N -1 3 396.520 3.714 20 0 GHADHM CCOC(=O)c1sc(NC(=O)C2CCCCCCC2)c(-c2nnn[n-]2)c1C ZINC000736605685 865252856 /nfs/dbraw/zinc/25/28/56/865252856.db2.gz PRJCLYWRNLHBOT-UHFFFAOYSA-N -1 3 391.497 3.712 20 0 GHADHM CCOC(=O)c1sc(NC(=O)C2CCCCCCC2)c(-c2nn[n-]n2)c1C ZINC000736605685 865252866 /nfs/dbraw/zinc/25/28/66/865252866.db2.gz PRJCLYWRNLHBOT-UHFFFAOYSA-N -1 3 391.497 3.712 20 0 GHADHM CCC(=O)CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000785421697 881861696 /nfs/dbraw/zinc/86/16/96/881861696.db2.gz HHZBDWFHFVWATQ-UHFFFAOYSA-N -1 3 393.436 3.543 20 0 GHADHM COC(=O)c1cc2cc(COc3ccc(-c4nnn[n-]4)cc3Cl)ccc2o1 ZINC000736950560 865333688 /nfs/dbraw/zinc/33/36/88/865333688.db2.gz KRHHPOPKYLKBEP-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM COC(=O)c1cc2cc(COc3ccc(-c4nn[n-]n4)cc3Cl)ccc2o1 ZINC000736950560 865333703 /nfs/dbraw/zinc/33/37/03/865333703.db2.gz KRHHPOPKYLKBEP-UHFFFAOYSA-N -1 3 384.779 3.632 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000737232633 865378407 /nfs/dbraw/zinc/37/84/07/865378407.db2.gz CRYUNASFQKJQMT-GFCCVEGCSA-N -1 3 387.390 3.576 20 0 GHADHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000737232633 865378424 /nfs/dbraw/zinc/37/84/24/865378424.db2.gz CRYUNASFQKJQMT-GFCCVEGCSA-N -1 3 387.390 3.576 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)sc1C ZINC000899158110 865407387 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GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(-c2ccccc2)ccc1Cl ZINC000738150180 865497411 /nfs/dbraw/zinc/49/74/11/865497411.db2.gz AVVMXSVECMWNAU-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000738295454 865523805 /nfs/dbraw/zinc/52/38/05/865523805.db2.gz YWFQVVKNAPXDPG-XMMPIXPASA-N -1 3 388.467 3.698 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cccnc1Cl ZINC000738367883 865532420 /nfs/dbraw/zinc/53/24/20/865532420.db2.gz ZQXIMCZEACECDJ-VIFPVBQESA-N -1 3 379.696 3.951 20 0 GHADHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000738354496 865546500 /nfs/dbraw/zinc/54/65/00/865546500.db2.gz HNUOOSYZVKJJGL-UHFFFAOYSA-N -1 3 389.304 3.697 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](c4ccc(F)c(C)c4)C3)nc2)n1 ZINC000301864299 865575144 /nfs/dbraw/zinc/57/51/44/865575144.db2.gz DBYJWLWWFUKBJK-LJQANCHMSA-N -1 3 394.450 3.832 20 0 GHADHM C[C@H](CCc1ccc(Br)cc1)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000920176900 881886329 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GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000739976084 865818093 /nfs/dbraw/zinc/81/80/93/865818093.db2.gz JHMRCFYYCYMAMC-VIFPVBQESA-N -1 3 384.723 3.682 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC000739980339 865818883 /nfs/dbraw/zinc/81/88/83/865818883.db2.gz TWMCENIGODSCEX-NXEZZACHSA-N -1 3 394.306 3.700 20 0 GHADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000174892677 865952048 /nfs/dbraw/zinc/95/20/48/865952048.db2.gz QDZMATOHRVRZQB-UHFFFAOYSA-N -1 3 384.411 3.714 20 0 GHADHM O=C(Nc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1)c1ccc2[nH]cnc2c1 ZINC000174900690 865953429 /nfs/dbraw/zinc/95/34/29/865953429.db2.gz SETMNNJMCXBMMP-UHFFFAOYSA-N -1 3 390.374 3.912 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000740797613 866011868 /nfs/dbraw/zinc/01/18/68/866011868.db2.gz VIGUTOYEQMCINO-HIFRSBDPSA-N -1 3 384.517 3.601 20 0 GHADHM CCOc1ccc(F)c([N-]C(=O)c2sc(-c3cnn(C)c3)nc2C)c1F ZINC000534034181 866012297 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Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)OCC(C)C)cc2)cc1 ZINC000620304971 866664219 /nfs/dbraw/zinc/66/42/19/866664219.db2.gz OVZUKCKQTBHFJZ-INIZCTEOSA-N -1 3 390.505 3.795 20 0 GHADHM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000620495542 866792523 /nfs/dbraw/zinc/79/25/23/866792523.db2.gz WWVQCKVXAOOINL-HXUWFJFHSA-N -1 3 390.487 3.590 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1F ZINC000742002031 866999478 /nfs/dbraw/zinc/99/94/78/866999478.db2.gz YKOZZUCCYNHUPM-SQWLQELKSA-N -1 3 396.528 3.601 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000523321953 867068830 /nfs/dbraw/zinc/06/88/30/867068830.db2.gz PNELZDFZAKEVOM-KRWDZBQOSA-N -1 3 383.448 3.507 20 0 GHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000444692442 867074278 /nfs/dbraw/zinc/07/42/78/867074278.db2.gz BOLWXZLIRAIPEH-UHFFFAOYSA-N -1 3 376.460 3.830 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)n[n-]1 ZINC000444764126 867194944 /nfs/dbraw/zinc/19/49/44/867194944.db2.gz XNOSRIMNVCTBRZ-MAUKXSAKSA-N -1 3 398.507 3.517 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)[n-]1 ZINC000444764126 867194952 /nfs/dbraw/zinc/19/49/52/867194952.db2.gz XNOSRIMNVCTBRZ-MAUKXSAKSA-N -1 3 398.507 3.517 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc2ncsc2c1 ZINC000479132115 867197145 /nfs/dbraw/zinc/19/71/45/867197145.db2.gz HRMGLXGECDBEPM-UHFFFAOYSA-N -1 3 380.401 3.911 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Oc1ccccc1Cl ZINC000742324989 867206359 /nfs/dbraw/zinc/20/63/59/867206359.db2.gz BHCXZBFGUPLOBV-VIFPVBQESA-N -1 3 395.695 3.788 20 0 GHADHM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(F)ccc3Cl)C2)cc1 ZINC000742324538 867206957 /nfs/dbraw/zinc/20/69/57/867206957.db2.gz XXVWLKOKEBCZAG-HNNXBMFYSA-N -1 3 382.888 3.735 20 0 GHADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000742330905 867211881 /nfs/dbraw/zinc/21/18/81/867211881.db2.gz WPSLWLXXVHAABN-NXEZZACHSA-N 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867544920 /nfs/dbraw/zinc/54/49/20/867544920.db2.gz QVQLDXDAWQVATN-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM CC(C)(C)c1nnc2n1CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC000620816247 867567790 /nfs/dbraw/zinc/56/77/90/867567790.db2.gz XGCQKVUIRYWVHN-UHFFFAOYSA-N -1 3 390.487 3.528 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC000479347156 867589772 /nfs/dbraw/zinc/58/97/72/867589772.db2.gz RQFXRQYBXWZOTN-UHFFFAOYSA-N -1 3 395.452 3.728 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1ccc(C(F)F)cc1 ZINC000553534289 867593884 /nfs/dbraw/zinc/59/38/84/867593884.db2.gz KQRRLPHLGJDNJM-UHFFFAOYSA-N -1 3 392.221 3.571 20 0 GHADHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000857189626 882100179 /nfs/dbraw/zinc/10/01/79/882100179.db2.gz IDAGYNMNGGSJSY-UHFFFAOYSA-N -1 3 397.435 3.604 20 0 GHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000742861575 867632547 /nfs/dbraw/zinc/63/25/47/867632547.db2.gz NJQXLEYFYZUBDO-IBGZPJMESA-N -1 3 384.517 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GHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553784839 868220329 /nfs/dbraw/zinc/22/03/29/868220329.db2.gz QAXJYWNFCYULSQ-LBPRGKRZSA-N -1 3 388.411 3.994 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccnc1C(F)(F)F ZINC000553829717 868322111 /nfs/dbraw/zinc/32/21/11/868322111.db2.gz DWEGCROYBCCDIW-HUUCEWRRSA-N -1 3 384.423 3.790 20 0 GHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000156656626 868427446 /nfs/dbraw/zinc/42/74/46/868427446.db2.gz UBDHEHXBXCEIEU-UHFFFAOYSA-N -1 3 375.791 3.794 20 0 GHADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000155276111 868454092 /nfs/dbraw/zinc/45/40/92/868454092.db2.gz VHNLPVLAORSHED-SECBINFHSA-N -1 3 378.288 3.559 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000648433098 882222194 /nfs/dbraw/zinc/22/21/94/882222194.db2.gz SIBDSCZHWKFLPB-BDAKNGLRSA-N -1 3 379.716 3.541 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1S(=O)(=O)NC1CC1 ZINC000426954130 882223360 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GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(OC(F)F)c1)c2=O ZINC000539415178 869118965 /nfs/dbraw/zinc/11/89/65/869118965.db2.gz UHHOXMLHKIJNLV-UHFFFAOYSA-N -1 3 378.306 3.530 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)[N-]C(=O)c1cccs1 ZINC000745351906 869493047 /nfs/dbraw/zinc/49/30/47/869493047.db2.gz UHZXMDPCUUVUBL-STQMWFEESA-N -1 3 398.267 3.658 20 0 GHADHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])[C@H]2C1 ZINC000539874170 869944608 /nfs/dbraw/zinc/94/46/08/869944608.db2.gz LDODKZVROFPRKV-NWSQWKLXSA-N -1 3 395.499 3.586 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2)CC1 ZINC000746099576 870058176 /nfs/dbraw/zinc/05/81/76/870058176.db2.gz XRMFQBSTXGJPKO-UHFFFAOYSA-N -1 3 382.489 3.511 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ncc(Cl)cc1Cl ZINC000011809189 882375732 /nfs/dbraw/zinc/37/57/32/882375732.db2.gz NLRBUBSZXRTFAX-UHFFFAOYSA-N -1 3 383.018 3.819 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C(C)C)CC3)nc(=O)c2c1C ZINC000173586312 882382278 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390.443 3.673 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(COc2ccccc2)c1 ZINC000775543941 870592268 /nfs/dbraw/zinc/59/22/68/870592268.db2.gz LBSIDGSNLSXDFH-UHFFFAOYSA-N -1 3 391.353 3.724 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1coc2ccccc21 ZINC001192664217 870612588 /nfs/dbraw/zinc/61/25/88/870612588.db2.gz PTJBRCUHJZSLBS-CXAGYDPISA-N -1 3 397.374 3.646 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461631392 870621453 /nfs/dbraw/zinc/62/14/53/870621453.db2.gz OTEAGBZFFHNQCG-CQSZACIVSA-N -1 3 396.491 3.600 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000248780894 870631827 /nfs/dbraw/zinc/63/18/27/870631827.db2.gz VFWZLYHTGPHHEM-IAQYHMDHSA-N -1 3 396.260 3.527 20 0 GHADHM CCc1c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)onc1C(F)(F)F ZINC000505954589 870686529 /nfs/dbraw/zinc/68/65/29/870686529.db2.gz VZTHZZDPEYJXFL-UHFFFAOYSA-N -1 3 383.301 3.797 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2sccc2C)s1 ZINC000540215702 870753937 /nfs/dbraw/zinc/75/39/37/870753937.db2.gz XOPSEVPQIOHWDO-UHFFFAOYSA-N -1 3 380.354 3.710 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738146636 870770644 /nfs/dbraw/zinc/77/06/44/870770644.db2.gz YWOABFLNGZTVPY-NWDGAFQWSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738146636 870770648 /nfs/dbraw/zinc/77/06/48/870770648.db2.gz YWOABFLNGZTVPY-NWDGAFQWSA-N -1 3 375.766 3.541 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3Cn3cccn3)c2)n1 ZINC000525485080 870772619 /nfs/dbraw/zinc/77/26/19/870772619.db2.gz LMJLHZLVBYUKLU-UHFFFAOYSA-N -1 3 399.454 3.909 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2cc(C(F)(F)F)ccc21)c1cnccc1Cl ZINC001192924385 870789135 /nfs/dbraw/zinc/78/91/35/870789135.db2.gz BIJSTDOVOBMXSG-LBPRGKRZSA-N -1 3 392.786 3.556 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1cccc(F)c1)c1cnccc1Cl ZINC001192924676 870789390 /nfs/dbraw/zinc/78/93/90/870789390.db2.gz GLVOROYUTIFFLK-KRWDZBQOSA-N -1 3 398.887 3.710 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001193022024 870851429 /nfs/dbraw/zinc/85/14/29/870851429.db2.gz XENHRPVGVYCLEO-UHFFFAOYSA-N -1 3 397.284 3.751 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3OCC3CC3)nc2)n1 ZINC000447063207 870942421 /nfs/dbraw/zinc/94/24/21/870942421.db2.gz JRIXHFIFEKJIHH-UHFFFAOYSA-N -1 3 390.487 3.938 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC001193274752 870996924 /nfs/dbraw/zinc/99/69/24/870996924.db2.gz PWWWIAKSLHTBJF-LBPRGKRZSA-N -1 3 390.889 3.608 20 0 GHADHM O=C(Nc1cc(F)cc(OCc2ccccc2)c1)c1cccc(OCCO)c1[O-] ZINC001193344492 871033983 /nfs/dbraw/zinc/03/39/83/871033983.db2.gz LVWMEXPKOSJCHN-UHFFFAOYSA-N -1 3 397.402 3.734 20 0 GHADHM O=C(CCc1nc2ccccc2c(=O)[nH]1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747153354 882469500 /nfs/dbraw/zinc/46/95/00/882469500.db2.gz VCPCQCYPAPOGRC-UHFFFAOYSA-N -1 3 391.349 3.535 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1cc(Br)ccc1F ZINC000509639983 871054327 /nfs/dbraw/zinc/05/43/27/871054327.db2.gz NTLHNSNQXCEZQC-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc([O-])ccc1Cl ZINC000508588237 871151530 /nfs/dbraw/zinc/15/15/30/871151530.db2.gz NZRTVIGAKSFDAK-GFCCVEGCSA-N -1 3 395.684 3.817 20 0 GHADHM COc1ccnc(C(=O)N2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)c1[O-] ZINC001193528934 871161003 /nfs/dbraw/zinc/16/10/03/871161003.db2.gz PAVBZSHUJAMVLZ-ZMZPIMSZSA-N -1 3 379.243 3.516 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1 ZINC000618072861 871228707 /nfs/dbraw/zinc/22/87/07/871228707.db2.gz QGNGKLPLFBHBDT-GFCCVEGCSA-N -1 3 383.395 3.900 20 0 GHADHM COC(=O)c1onc(C)c1[N-]C(=O)c1ccc(OCc2ccccc2)cc1F ZINC001193818171 871323959 /nfs/dbraw/zinc/32/39/59/871323959.db2.gz HPAUGLMEVKIEQK-UHFFFAOYSA-N -1 3 384.363 3.740 20 0 GHADHM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000539104997 871324180 /nfs/dbraw/zinc/32/41/80/871324180.db2.gz FUEMLEYIEMYHEM-ZDUSSCGKSA-N -1 3 377.448 3.998 20 0 GHADHM CC1([N-]S(=O)(=O)c2cc(F)cc(Br)c2)CCC(F)(F)CC1 ZINC001193823478 871327611 /nfs/dbraw/zinc/32/76/11/871327611.db2.gz UWVANFSNGRSXAB-UHFFFAOYSA-N -1 3 386.233 3.835 20 0 GHADHM CC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccccc2N)c(C(F)(F)F)c1 ZINC001193929425 871376254 /nfs/dbraw/zinc/37/62/54/871376254.db2.gz ROXQCCHCABMWFV-UHFFFAOYSA-N -1 3 392.786 3.944 20 0 GHADHM Nc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C(F)(F)F)c1 ZINC001193924914 871397247 /nfs/dbraw/zinc/39/72/47/871397247.db2.gz XNODPCNYFNUNGV-UHFFFAOYSA-N -1 3 385.411 3.689 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCCC3)C2)c1 ZINC000618184893 871401736 /nfs/dbraw/zinc/40/17/36/871401736.db2.gz IGMIBXMVUJGCCD-INIZCTEOSA-N -1 3 397.475 3.983 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001193946102 871424405 /nfs/dbraw/zinc/42/44/05/871424405.db2.gz OMOVBFRDQOKUPD-HNNXBMFYSA-N -1 3 398.459 3.502 20 0 GHADHM O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)C1=Cc2ccccc2CC1 ZINC000103263475 871558782 /nfs/dbraw/zinc/55/87/82/871558782.db2.gz XKGWHYTXPPPIPM-UHFFFAOYSA-N -1 3 379.441 3.578 20 0 GHADHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000462089834 871565636 /nfs/dbraw/zinc/56/56/36/871565636.db2.gz JBHWTKXMCUCDBS-UHFFFAOYSA-N -1 3 384.470 3.999 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])nn1CC(F)(F)F ZINC001194312963 871615062 /nfs/dbraw/zinc/61/50/62/871615062.db2.gz KMQCDXSTFPTEPN-UHFFFAOYSA-N -1 3 399.369 3.667 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1F ZINC001194372314 871644872 /nfs/dbraw/zinc/64/48/72/871644872.db2.gz RZWLDGCFHHCSHB-UHFFFAOYSA-N -1 3 382.800 3.542 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000921067093 882533672 /nfs/dbraw/zinc/53/36/72/882533672.db2.gz SJMAVDCLCRFTAV-JTQLQIEISA-N -1 3 394.718 3.746 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618507988 871672328 /nfs/dbraw/zinc/67/23/28/871672328.db2.gz UIEDKQBHUHBEDH-WAGURGNTSA-N -1 3 392.499 3.806 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)n1 ZINC000462162690 871718772 /nfs/dbraw/zinc/71/87/72/871718772.db2.gz FWAKBSKGZOQUMJ-QMMMGPOBSA-N -1 3 381.342 3.623 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1ccc(Br)cn1 ZINC000462151653 871740896 /nfs/dbraw/zinc/74/08/96/871740896.db2.gz PAWCTNFJHHWHCV-UHFFFAOYSA-N -1 3 393.262 3.583 20 0 GHADHM C[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000525966962 871816194 /nfs/dbraw/zinc/81/61/94/871816194.db2.gz HIYYVABZKBMJMA-MGPUTAFESA-N -1 3 389.455 3.656 20 0 GHADHM COc1cc(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc(OC)c1[O-] ZINC000133905386 882560282 /nfs/dbraw/zinc/56/02/82/882560282.db2.gz ZKBXGBXTKCQEHR-QGZVFWFLSA-N -1 3 384.476 3.980 20 0 GHADHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)o1 ZINC000857816773 882562539 /nfs/dbraw/zinc/56/25/39/882562539.db2.gz HBCMDQYNBQLCNA-UHFFFAOYSA-N -1 3 392.455 3.790 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1[O-] ZINC000794035914 882564083 /nfs/dbraw/zinc/56/40/83/882564083.db2.gz YJTNNODBUDBGGA-SFHVURJKSA-N -1 3 396.487 3.733 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)c1[O-] ZINC000552069898 871974189 /nfs/dbraw/zinc/97/41/89/871974189.db2.gz PWEDNHWFZCHDAC-UHFFFAOYSA-N -1 3 387.457 3.916 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(C)cc(Cl)c3)c2)[n-]1 ZINC000447681311 872092851 /nfs/dbraw/zinc/09/28/51/872092851.db2.gz YEMGXWYVXAPWKV-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(C)cc(Cl)c3)c2)n[n-]1 ZINC000447681311 872092866 /nfs/dbraw/zinc/09/28/66/872092866.db2.gz YEMGXWYVXAPWKV-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001195156096 872221101 /nfs/dbraw/zinc/22/11/01/872221101.db2.gz HMCWWWDSJVRKQS-UHFFFAOYSA-N -1 3 391.512 3.502 20 0 GHADHM Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)Nc1ncccc1[O-] ZINC001195245460 872275855 /nfs/dbraw/zinc/27/58/55/872275855.db2.gz QXQSSIYHBXZMEH-ZROIWOOFSA-N -1 3 392.390 3.616 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)c2)[n-]1 ZINC000619142968 872347613 /nfs/dbraw/zinc/34/76/13/872347613.db2.gz ZIEATABPRJDVEP-IAGOWNOFSA-N -1 3 396.491 3.503 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)c2)n[n-]1 ZINC000619142968 872347629 /nfs/dbraw/zinc/34/76/29/872347629.db2.gz ZIEATABPRJDVEP-IAGOWNOFSA-N -1 3 396.491 3.503 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)c1[O-] ZINC000552285757 872351669 /nfs/dbraw/zinc/35/16/69/872351669.db2.gz CAJFFCMTAZDGFP-UHFFFAOYSA-N -1 3 383.379 3.664 20 0 GHADHM CC(C)c1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cnn1-c1ccc(Cl)cc1 ZINC000526960035 872363450 /nfs/dbraw/zinc/36/34/50/872363450.db2.gz DKENIWSEMAICMT-QGZVFWFLSA-N -1 3 399.882 3.898 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(C)nn1Cc1cccc(C(F)(F)F)c1 ZINC001195457619 872402425 /nfs/dbraw/zinc/40/24/25/872402425.db2.gz AVQYUDXTIMNOMU-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(C)nn1Cc1cccc(C(F)(F)F)c1 ZINC001195457619 872402435 /nfs/dbraw/zinc/40/24/35/872402435.db2.gz AVQYUDXTIMNOMU-UHFFFAOYSA-N -1 3 386.399 3.702 20 0 GHADHM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)nn1 ZINC000767319728 872420654 /nfs/dbraw/zinc/42/06/54/872420654.db2.gz KERBVYGJKJGMAA-UHFFFAOYSA-N -1 3 386.456 3.866 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1cc(Br)ccc1F ZINC001195496600 872448853 /nfs/dbraw/zinc/44/88/53/872448853.db2.gz PWMFLSHALDXGFJ-UHFFFAOYSA-N -1 3 384.270 3.642 20 0 GHADHM COCc1c2ccccc2oc1C(=O)[N-]c1cc(F)cc(C(=O)OC)c1F ZINC000478079358 872453387 /nfs/dbraw/zinc/45/33/87/872453387.db2.gz MZQIPLQUEQYNKB-UHFFFAOYSA-N -1 3 375.327 3.896 20 0 GHADHM O=S(=O)([N-]CCc1coc2ccccc12)c1cc(Br)ccc1F ZINC001195505982 872456568 /nfs/dbraw/zinc/45/65/68/872456568.db2.gz ZXFSXZZRGOKAPZ-UHFFFAOYSA-N -1 3 398.253 3.855 20 0 GHADHM Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)c1 ZINC000093925851 872485121 /nfs/dbraw/zinc/48/51/21/872485121.db2.gz MSMBKXPAESKFQA-UHFFFAOYSA-N -1 3 375.428 3.508 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000094098740 872539048 /nfs/dbraw/zinc/53/90/48/872539048.db2.gz XHAIMXXESWZGBG-UHFFFAOYSA-N -1 3 390.443 3.924 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1sccc1-c1ccccc1 ZINC001195710174 872598639 /nfs/dbraw/zinc/59/86/39/872598639.db2.gz YLUWIARYNIQESO-UHFFFAOYSA-N -1 3 384.413 3.569 20 0 GHADHM Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000767589282 872651542 /nfs/dbraw/zinc/65/15/42/872651542.db2.gz CMQRKVOZSUDCAE-YVEFUNNKSA-N -1 3 377.437 3.911 20 0 GHADHM COC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195794929 872667254 /nfs/dbraw/zinc/66/72/54/872667254.db2.gz OWIFIXMJXGFIFL-UHFFFAOYSA-N -1 3 399.424 3.772 20 0 GHADHM COC(=O)c1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195794929 872667260 /nfs/dbraw/zinc/66/72/60/872667260.db2.gz OWIFIXMJXGFIFL-UHFFFAOYSA-N -1 3 399.424 3.772 20 0 GHADHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3sc(N(C)C)nc3s2)c1 ZINC000182743584 872726627 /nfs/dbraw/zinc/72/66/27/872726627.db2.gz BXOGJMGJHPUFGF-LBPRGKRZSA-N -1 3 384.486 3.693 20 0 GHADHM COc1ccc(C[C@@H](C)CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)cc1 ZINC000121438458 872753821 /nfs/dbraw/zinc/75/38/21/872753821.db2.gz NWOIDAGRTAWEAH-OAHLLOKOSA-N -1 3 383.521 3.779 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c(Cl)cc(Cl)nc1Cl ZINC001195925276 872759616 /nfs/dbraw/zinc/75/96/16/872759616.db2.gz UUVPXHRHAMMSFN-UHFFFAOYSA-N -1 3 393.585 3.925 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(SC(F)F)cc3)nc21 ZINC000746485710 872794699 /nfs/dbraw/zinc/79/46/99/872794699.db2.gz BXFFUWHEMYCMLD-UHFFFAOYSA-N -1 3 377.372 3.917 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)[nH]c(C)c1C(C)=O ZINC000478309215 872805083 /nfs/dbraw/zinc/80/50/83/872805083.db2.gz CUCWVSOCPZWDQE-UHFFFAOYSA-N -1 3 387.390 3.794 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C)[C@H](C)C3)nc(=O)c2c1C ZINC000122669759 882660310 /nfs/dbraw/zinc/66/03/10/882660310.db2.gz UYEVVKDKTVWHNV-LOWVWBTDSA-N -1 3 377.510 3.509 20 0 GHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000552635846 872924370 /nfs/dbraw/zinc/92/43/70/872924370.db2.gz UCCWXOOIHVXEGX-QFYYESIMSA-N -1 3 375.824 3.673 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(C3(C)COC3)cc2)c([O-])c1 ZINC001196226903 872965099 /nfs/dbraw/zinc/96/50/99/872965099.db2.gz FFJBNCFJBXHZBV-UHFFFAOYSA-N -1 3 383.444 3.888 20 0 GHADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccccc2-c2ccno2)on1 ZINC000541117951 872984482 /nfs/dbraw/zinc/98/44/82/872984482.db2.gz URRJPAQUUAFKEN-UHFFFAOYSA-N -1 3 375.450 3.712 20 0 GHADHM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000191940080 882675026 /nfs/dbraw/zinc/67/50/26/882675026.db2.gz HDZTWGXRVVNUMR-GXTWGEPZSA-N -1 3 392.249 3.914 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000191940086 882675358 /nfs/dbraw/zinc/67/53/58/882675358.db2.gz HDZTWGXRVVNUMR-TZMCWYRMSA-N -1 3 392.249 3.914 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)cc2ccccc21 ZINC000552702401 873015287 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O=C(N[C@@H]1CCCc2ccccc21)c1cc([O-])cc(I)c1 ZINC001196399980 873076300 /nfs/dbraw/zinc/07/63/00/873076300.db2.gz WLUUGVNFPUBPCF-MRXNPFEDSA-N -1 3 393.224 3.804 20 0 GHADHM O=C(Nc1cnccc1C1CC1)c1cc([O-])cc(I)c1 ZINC001196401371 873076502 /nfs/dbraw/zinc/07/65/02/873076502.db2.gz IDXPSAOZWYWSRQ-UHFFFAOYSA-N -1 3 380.185 3.522 20 0 GHADHM Cc1cccc(C2(NC(=O)c3cc([O-])cc(I)c3)CC2)c1 ZINC001196427270 873109390 /nfs/dbraw/zinc/10/93/90/873109390.db2.gz GVKCQKWZQHGXBS-UHFFFAOYSA-N -1 3 393.224 3.724 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000153079309 873172814 /nfs/dbraw/zinc/17/28/14/873172814.db2.gz DUPXWURWWLDFEV-UHFFFAOYSA-N -1 3 388.851 3.688 20 0 GHADHM CCc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1Cc1ccc(F)cc1 ZINC000448310861 873184751 /nfs/dbraw/zinc/18/47/51/873184751.db2.gz IUIIPLSJNCBCJH-UHFFFAOYSA-N -1 3 378.329 3.698 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122771530 882702681 /nfs/dbraw/zinc/70/26/81/882702681.db2.gz 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3 383.439 3.666 20 0 GHADHM CN1Cc2c(cccc2[N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)C1=O ZINC001197538329 873866644 /nfs/dbraw/zinc/86/66/44/873866644.db2.gz UDEACPDZNBTMCY-UHFFFAOYSA-N -1 3 385.272 3.521 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(-c2nc(CO)cs2)c1 ZINC001197608151 873940837 /nfs/dbraw/zinc/94/08/37/873940837.db2.gz NIZHAECQVAHJEI-UHFFFAOYSA-N -1 3 396.440 3.523 20 0 GHADHM O=C(CCN1C(=O)CCc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134201778 882779984 /nfs/dbraw/zinc/77/99/84/882779984.db2.gz NNPKIVSVSAMXIF-UHFFFAOYSA-N -1 3 378.350 3.719 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1cnc(OCC2CC2)nc1 ZINC001197727967 874012699 /nfs/dbraw/zinc/01/26/99/874012699.db2.gz VAYIWJAVHWPERP-UHFFFAOYSA-N -1 3 388.276 3.514 20 0 GHADHM CCCN(C(=O)Cc1ccc([O-])c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000448860761 874062925 /nfs/dbraw/zinc/06/29/25/874062925.db2.gz KOUNDCMXVROVRU-UHFFFAOYSA-N -1 3 398.478 3.617 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000448862595 874132263 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GHADHM CC(C)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1nc(C2CC2)no1 ZINC000528396992 874513583 /nfs/dbraw/zinc/51/35/83/874513583.db2.gz STHBQVYULBEPLS-CYBMUJFWSA-N -1 3 380.242 3.542 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cnc2ccccc2c1Cl ZINC001198660940 874565481 /nfs/dbraw/zinc/56/54/81/874565481.db2.gz XIZIVHKZIQBFPL-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC001198723689 874582906 /nfs/dbraw/zinc/58/29/06/874582906.db2.gz YDOMYRCODDQNIS-INIZCTEOSA-N -1 3 384.860 3.702 20 0 GHADHM O=C(COC(=O)CCCc1ccc2ccccc2c1)[N-]C(=O)c1cccs1 ZINC000775918480 874690520 /nfs/dbraw/zinc/69/05/20/874690520.db2.gz PCLAQSQIXTVMLG-UHFFFAOYSA-N -1 3 381.453 3.724 20 0 GHADHM O=c1cc(NC(=S)Nc2c(F)c(F)c(F)c(F)c2F)nc(C2CC2)[n-]1 ZINC001198875412 874691956 /nfs/dbraw/zinc/69/19/56/874691956.db2.gz WYGGPORFOXBKMS-UHFFFAOYSA-N -1 3 376.310 3.564 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnccc2OC2CCC2)c([O-])c1 ZINC001198879227 874694660 /nfs/dbraw/zinc/69/46/60/874694660.db2.gz MWNXBSWOQWRZAY-UHFFFAOYSA-N -1 3 384.432 3.926 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000528581439 874738718 /nfs/dbraw/zinc/73/87/18/874738718.db2.gz MITTTZBIOVWDHH-UHFFFAOYSA-N -1 3 394.240 3.977 20 0 GHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(-n2nnnc2C)cc1F ZINC001129499453 882862598 /nfs/dbraw/zinc/86/25/98/882862598.db2.gz HJUWCAIZPQWBTB-UHFFFAOYSA-N -1 3 375.404 3.613 20 0 GHADHM CCN(C(=O)COC(=O)c1cccc(Cl)c1[O-])c1nc2ccccc2s1 ZINC000775932665 874792072 /nfs/dbraw/zinc/79/20/72/874792072.db2.gz JCPOVHOQKXLQQQ-UHFFFAOYSA-N -1 3 390.848 3.865 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(OC(F)F)ccn2)c([O-])c1 ZINC001199314951 874907391 /nfs/dbraw/zinc/90/73/91/874907391.db2.gz UXSMXJKQMCJZFH-UHFFFAOYSA-N -1 3 380.347 3.596 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc(OCC2CCCCC2)cc1 ZINC001199316568 874921586 /nfs/dbraw/zinc/92/15/86/874921586.db2.gz XUTZBWLIJVOIMB-UHFFFAOYSA-N -1 3 388.493 3.752 20 0 GHADHM COc1cc(N[C@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)cc(OC)c1 ZINC000476708058 882900439 /nfs/dbraw/zinc/90/04/39/882900439.db2.gz VOHJQRFKUCMJEH-ZDUSSCGKSA-N -1 3 390.867 3.780 20 0 GHADHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000771585822 875328999 /nfs/dbraw/zinc/32/89/99/875328999.db2.gz DNSXHPYYIBOGJQ-NOZJJQNGSA-N -1 3 382.309 3.562 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000542409430 875515595 /nfs/dbraw/zinc/51/55/95/875515595.db2.gz ZBCLXAHXYQYLBI-ZBFHGGJFSA-N -1 3 394.397 3.645 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000529068930 875566731 /nfs/dbraw/zinc/56/67/31/875566731.db2.gz LNLKXIAOSSKIRG-IBGZPJMESA-N -1 3 388.261 3.816 20 0 GHADHM Cc1ncc(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000771955112 875573111 /nfs/dbraw/zinc/57/31/11/875573111.db2.gz IREKWXXFKRHRNA-UHFFFAOYSA-N -1 3 399.950 3.749 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Cl)c1ccc(Oc2ccncc2)cc1 ZINC001201598288 875750756 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O=S(=O)([N-]Cc1cc(Cl)ccc1F)c1cccc(F)c1Br ZINC001201788718 875883839 /nfs/dbraw/zinc/88/38/39/875883839.db2.gz LZIPAQQMTHGEPL-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM C[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201791831 875886528 /nfs/dbraw/zinc/88/65/28/875886528.db2.gz ZVGIAQOVNFREEQ-JTQLQIEISA-N -1 3 390.249 3.637 20 0 GHADHM COc1ccc(C2(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)CC3(CCC3)C2)cc1 ZINC000491884060 876002398 /nfs/dbraw/zinc/00/23/98/876002398.db2.gz ARRNQIMVBMVFBV-UHFFFAOYSA-N -1 3 388.471 3.743 20 0 GHADHM COc1cccc(C2([N-]C(=O)C(F)(F)c3ccc(F)cc3)CCOCC2)c1F ZINC000785517953 876083977 /nfs/dbraw/zinc/08/39/77/876083977.db2.gz NKLCUCGWVZMHHJ-UHFFFAOYSA-N -1 3 397.368 3.887 20 0 GHADHM O=C(OCC(F)F)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785529654 876088191 /nfs/dbraw/zinc/08/81/91/876088191.db2.gz CWBUDKMCAWRCEV-UHFFFAOYSA-N -1 3 393.770 3.702 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@@H]1OCCc2sccc21 ZINC000529416851 876111521 /nfs/dbraw/zinc/11/15/21/876111521.db2.gz QKOVYVOSFIWNBG-PSLIRLAXSA-N -1 3 382.279 3.649 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H]1OCCc2sccc21 ZINC000529416852 876113101 /nfs/dbraw/zinc/11/31/01/876113101.db2.gz QKOVYVOSFIWNBG-RFAUZJTJSA-N -1 3 382.279 3.649 20 0 GHADHM O=C(OCc1nc(-c2ccc(Br)s2)no1)c1cc2occc2[n-]1 ZINC000786031472 876418249 /nfs/dbraw/zinc/41/82/49/876418249.db2.gz RBUSATIJBVQOFC-UHFFFAOYSA-N -1 3 394.206 3.992 20 0 GHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1cccc(Br)c1 ZINC000786032930 876419929 /nfs/dbraw/zinc/41/99/29/876419929.db2.gz LMHUXWWUQSAIHI-SECBINFHSA-N -1 3 377.194 3.707 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)NCCCOC1CCCCC1 ZINC000786131845 876498575 /nfs/dbraw/zinc/49/85/75/876498575.db2.gz RQWZTMVNLKXYGP-UHFFFAOYSA-N -1 3 391.489 3.619 20 0 GHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)NC12CC3CC(CC(C3)C1)C2 ZINC000786131987 876499838 /nfs/dbraw/zinc/49/98/38/876499838.db2.gz GNFOKZDCXNUZML-UHFFFAOYSA-N -1 3 385.485 3.849 20 0 GHADHM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450517023 876553892 /nfs/dbraw/zinc/55/38/92/876553892.db2.gz DMZRFFKYWLKABW-NSHDSACASA-N -1 3 378.241 3.810 20 0 GHADHM O=c1nc(CN2CCC(=O)Nc3ccccc32)[n-]c2scc(-c3ccco3)c21 ZINC000174164422 876874486 /nfs/dbraw/zinc/87/44/86/876874486.db2.gz ADAZQBCMINYJHI-UHFFFAOYSA-N -1 3 392.440 3.593 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC=Cc3ccccc32)ccc1F ZINC000786670218 876883197 /nfs/dbraw/zinc/88/31/97/876883197.db2.gz MOCRMZBQIYOHBQ-UHFFFAOYSA-N -1 3 388.464 3.576 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](CC(C)C)C3)nc(=O)c2c1C ZINC000174195031 876892543 /nfs/dbraw/zinc/89/25/43/876892543.db2.gz YZEQUFCRBMXPSY-ZIAGYGMSSA-N -1 3 391.537 3.899 20 0 GHADHM CC(C)(C)OC(=O)NCC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000786850458 876983003 /nfs/dbraw/zinc/98/30/03/876983003.db2.gz BRNUSZHVJYNGPF-UHFFFAOYSA-N -1 3 394.487 3.617 20 0 GHADHM COc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000786887198 877041241 /nfs/dbraw/zinc/04/12/41/877041241.db2.gz MNMWGLHGRJJRNP-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000786888195 877042550 /nfs/dbraw/zinc/04/25/50/877042550.db2.gz UDYXFQWETPICHL-UHFFFAOYSA-N -1 3 381.885 3.829 20 0 GHADHM C[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc2c(c1)CCC2 ZINC000850577316 877048518 /nfs/dbraw/zinc/04/85/18/877048518.db2.gz ZBPRQKXMKGRFAD-AWEZNQCLSA-N -1 3 398.507 3.546 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](O)c1c(F)cccc1Cl ZINC000787132234 877181984 /nfs/dbraw/zinc/18/19/84/877181984.db2.gz HOQWWOYQNNSFTG-WYRIXSBYSA-N -1 3 383.822 3.885 20 0 GHADHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787142954 877193394 /nfs/dbraw/zinc/19/33/94/877193394.db2.gz ZSTJMLWSENWRCS-HOCLYGCPSA-N -1 3 394.487 3.616 20 0 GHADHM COc1ccc(CN(Cc2cnc(C(=O)[O-])cn2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000530163567 877237915 /nfs/dbraw/zinc/23/79/15/877237915.db2.gz PCLFFFIHNFZSGP-KXBFYZLASA-N -1 3 399.491 3.773 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1OC ZINC000121551813 877312695 /nfs/dbraw/zinc/31/26/95/877312695.db2.gz QEEJPIORKFTCOO-AWEZNQCLSA-N -1 3 394.518 3.577 20 0 GHADHM Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)c(-n2cc(Cl)cn2)n1 ZINC000787438354 877404287 /nfs/dbraw/zinc/40/42/87/877404287.db2.gz PJFDWABZPSKANC-UHFFFAOYSA-N -1 3 394.784 3.776 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c([O-])c1 ZINC000610139692 877424703 /nfs/dbraw/zinc/42/47/03/877424703.db2.gz HJQLJFDILMENBI-UHFFFAOYSA-N -1 3 378.428 3.915 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)COc3cc(C)ccc3C)nc(=O)c2c1C ZINC000007800095 877537410 /nfs/dbraw/zinc/53/74/10/877537410.db2.gz SMHYKAYMHAXLAM-CYBMUJFWSA-N -1 3 386.473 3.901 20 0 GHADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(OC)c1OC ZINC000477400249 877565135 /nfs/dbraw/zinc/56/51/35/877565135.db2.gz CFILUJKVXNXLJC-SFQUDFHCSA-N -1 3 378.428 3.579 20 0 GHADHM COc1ccc(F)c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1OC ZINC000530364241 877634316 /nfs/dbraw/zinc/63/43/16/877634316.db2.gz VQUDUZZIAGSQNQ-UHFFFAOYSA-N -1 3 376.775 3.534 20 0 GHADHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)COc1ccc(Cl)cc1 ZINC000787845844 877666390 /nfs/dbraw/zinc/66/63/90/877666390.db2.gz QRMAVHWDCHODOQ-UHFFFAOYSA-N -1 3 380.799 3.699 20 0 GHADHM CC[C@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 ZINC000179566021 877726274 /nfs/dbraw/zinc/72/62/74/877726274.db2.gz QBDHRHMYLIVCEG-AWEZNQCLSA-N -1 3 381.259 3.957 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Br)c1 ZINC000788087259 877828993 /nfs/dbraw/zinc/82/89/93/877828993.db2.gz ZCQLVWZPNQYLNC-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000492976473 877922393 /nfs/dbraw/zinc/92/23/93/877922393.db2.gz LFRYSJWSTVBQQC-UHFFFAOYSA-N -1 3 397.394 3.758 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000788304926 877981665 /nfs/dbraw/zinc/98/16/65/877981665.db2.gz OFYLBWTWEZFVPC-JTQLQIEISA-N -1 3 385.798 3.508 20 0 GHADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)[N-]OC1CCOCC1 ZINC000772716894 877989698 /nfs/dbraw/zinc/98/96/98/877989698.db2.gz CPYCWUUMSSSGJD-UHFFFAOYSA-N -1 3 375.852 3.688 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(CC)nc3C3CC3)c2)n1 ZINC000630760734 878000503 /nfs/dbraw/zinc/00/05/03/878000503.db2.gz TVBADUXDLHYYQQ-UHFFFAOYSA-N -1 3 377.448 3.758 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000175945805 878007177 /nfs/dbraw/zinc/00/71/77/878007177.db2.gz XHJMPEVPCAKHMB-INIZCTEOSA-N -1 3 386.455 3.822 20 0 GHADHM O=C([N-]CCCN(Cc1cc(Br)ccc1F)C1CC1)C(F)(F)F ZINC000774583977 912302386 /nfs/dbraw/zinc/30/23/86/912302386.db2.gz VUUIVBPEZKSZPY-UHFFFAOYSA-N -1 3 397.210 3.621 20 0 GHADHM CCC(=O)CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000785414169 878060637 /nfs/dbraw/zinc/06/06/37/878060637.db2.gz UBDOIKSSMQXWGY-UHFFFAOYSA-N -1 3 393.436 3.543 20 0 GHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(F)cc1 ZINC000179849869 878104813 /nfs/dbraw/zinc/10/48/13/878104813.db2.gz TVFLYGWBPDDIKF-QGZVFWFLSA-N -1 3 396.809 3.934 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000176261679 878170697 /nfs/dbraw/zinc/17/06/97/878170697.db2.gz TWZXLVJOZKNAAI-UHFFFAOYSA-N -1 3 386.502 3.793 20 0 GHADHM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)cc21 ZINC000537740583 878227422 /nfs/dbraw/zinc/22/74/22/878227422.db2.gz RYNGOOLHLIRZNW-UHFFFAOYSA-N -1 3 388.489 3.714 20 0 GHADHM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000530649339 878239608 /nfs/dbraw/zinc/23/96/08/878239608.db2.gz QRSMWJNRGXDNFT-ZWKOTPCHSA-N -1 3 384.480 3.825 20 0 GHADHM Cc1oc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1C ZINC000670784030 878243278 /nfs/dbraw/zinc/24/32/78/878243278.db2.gz AMGDNBGBRPVSIX-UHFFFAOYSA-N -1 3 390.383 3.847 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1 ZINC000751985313 878252702 /nfs/dbraw/zinc/25/27/02/878252702.db2.gz IHEIAPAAPNTFDG-UHFFFAOYSA-N -1 3 382.707 3.580 20 0 GHADHM Cc1cc(Br)cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788754768 878291091 /nfs/dbraw/zinc/29/10/91/878291091.db2.gz UZTHSYBPPIPJAA-UHFFFAOYSA-N -1 3 380.263 3.933 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(Cl)s3)cc2)CC1 ZINC000788843061 878377060 /nfs/dbraw/zinc/37/70/60/878377060.db2.gz OKRTVSDVTAETBI-UHFFFAOYSA-N -1 3 399.969 3.653 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000010683527 878574140 /nfs/dbraw/zinc/57/41/40/878574140.db2.gz KOMDIYJSCWMVBE-UHFFFAOYSA-N -1 3 383.750 3.856 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460834466 878688737 /nfs/dbraw/zinc/68/87/37/878688737.db2.gz BBXLLKWBTGGEON-UHFFFAOYSA-N -1 3 395.452 3.575 20 0 GHADHM O=S(=O)([N-]c1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(F)c(F)c1 ZINC000530887912 878730743 /nfs/dbraw/zinc/73/07/43/878730743.db2.gz UFHCOBTVAOPKGM-UHFFFAOYSA-N -1 3 375.356 3.902 20 0 GHADHM C[C@H](O)C[C@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000180308283 878764294 /nfs/dbraw/zinc/76/42/94/878764294.db2.gz BOUSOWBHEGQNSE-JOYOIKCWSA-N -1 3 393.119 3.653 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CC)c2nc(C(F)(F)F)cs2)s1 ZINC000460892490 878788988 /nfs/dbraw/zinc/78/89/88/878788988.db2.gz FJTPPFCLKSJITC-ZETCQYMHSA-N -1 3 385.458 3.610 20 0 GHADHM C[C@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000452113118 878998020 /nfs/dbraw/zinc/99/80/20/878998020.db2.gz BMGHLKIFFXKQRQ-MEDUHNTESA-N -1 3 381.350 3.719 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724678 879000476 /nfs/dbraw/zinc/00/04/76/879000476.db2.gz UWZBZLXIOHHTKB-XPTSAGLGSA-N -1 3 395.684 3.959 20 0 GHADHM [O-]c1c(Br)cc(Br)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000180615509 879085188 /nfs/dbraw/zinc/08/51/88/879085188.db2.gz CLZYYMCTSGJUHU-CQSZACIVSA-N -1 3 391.103 3.530 20 0 GHADHM O=C(NCc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000616988481 879290403 /nfs/dbraw/zinc/29/04/03/879290403.db2.gz UMMUIMVKXQBETD-MRXNPFEDSA-N -1 3 393.270 3.620 20 0 GHADHM CC[C@@H](c1nnc(NC(=O)c2nnc3ccccc3c2[O-])s1)c1ccccc1 ZINC000111615900 879301769 /nfs/dbraw/zinc/30/17/69/879301769.db2.gz MGJBNWWGDDODMQ-CYBMUJFWSA-N -1 3 391.456 3.569 20 0 GHADHM O=C(c1cc(Cl)ccc1Oc1ccc(F)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179092852 879331613 /nfs/dbraw/zinc/33/16/13/879331613.db2.gz ZSEBYUCPHFSCPV-UHFFFAOYSA-N -1 3 399.809 3.553 20 0 GHADHM Cc1cc2cc(C(=O)NN=c3ccc(Cl)n[n-]3)oc2c(Br)c1 ZINC000180811902 879368740 /nfs/dbraw/zinc/36/87/40/879368740.db2.gz NMNJLDYAESBMPA-UHFFFAOYSA-N -1 3 381.617 3.704 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1nc(C2CC2)no1 ZINC000069128269 879580349 /nfs/dbraw/zinc/58/03/49/879580349.db2.gz ZLHSUAAZCCFJNE-FEAKQIBJSA-N -1 3 381.885 3.888 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)o1 ZINC000493737202 879627051 /nfs/dbraw/zinc/62/70/51/879627051.db2.gz MAXWXIAEAVOOFP-GFCCVEGCSA-N -1 3 384.885 3.855 20 0 GHADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)C ZINC000493815405 879654054 /nfs/dbraw/zinc/65/40/54/879654054.db2.gz IJBZCBXQSWGYGZ-LBPRGKRZSA-N -1 3 398.750 3.832 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC000493887535 879702529 /nfs/dbraw/zinc/70/25/29/879702529.db2.gz FNDNRPNMZKZGFV-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1Cl ZINC000181100718 879717786 /nfs/dbraw/zinc/71/77/86/879717786.db2.gz HEUWOZLJVXBNCY-OAHLLOKOSA-N -1 3 378.819 3.795 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000531373926 879725089 /nfs/dbraw/zinc/72/50/89/879725089.db2.gz ZVSVNTVCWDNFAV-KRWDZBQOSA-N -1 3 399.249 3.850 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NCc2cnc(-c3ccc(Cl)cc3)s2)c2ccccc21 ZINC000790575161 879862224 /nfs/dbraw/zinc/86/22/24/879862224.db2.gz PIRSRLFNVAJBMO-BOPFTXTBSA-N -1 3 395.871 3.864 20 0 GHADHM CCc1cncc(C(=O)[N-]n2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 ZINC000790627755 879895126 /nfs/dbraw/zinc/89/51/26/879895126.db2.gz YKQARDPXRFQZJM-UHFFFAOYSA-N -1 3 390.468 3.775 20 0 GHADHM Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581319 879923731 /nfs/dbraw/zinc/92/37/31/879923731.db2.gz FUGGQRAMVMJKBQ-UHFFFAOYSA-N -1 3 389.437 3.633 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@@H]4C)o3)nc21 ZINC000494110388 879938293 /nfs/dbraw/zinc/93/82/93/879938293.db2.gz GISKBKMBKSUIBL-AHLTXXRQSA-N -1 3 379.416 3.808 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC)c4ccccc34)nc21 ZINC000494138615 879944222 /nfs/dbraw/zinc/94/42/22/879944222.db2.gz FAGBVZPQMKKDQY-UHFFFAOYSA-N -1 3 375.384 3.764 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)c(Br)c3)nc21 ZINC000494130836 879960909 /nfs/dbraw/zinc/96/09/09/879960909.db2.gz NCXZYHHAOKWOTA-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)cc1Cl ZINC000247317957 879970025 /nfs/dbraw/zinc/97/00/25/879970025.db2.gz OMDWJELQCOLRTQ-PKFCDNJMSA-N -1 3 376.881 3.541 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)cc1F ZINC000112628044 880051340 /nfs/dbraw/zinc/05/13/40/880051340.db2.gz GRSSGCDZRCZTDF-HNNXBMFYSA-N -1 3 380.419 3.905 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3ccccc3C)cs2)c1 ZINC000183290774 880085282 /nfs/dbraw/zinc/08/52/82/880085282.db2.gz IWTYQHVHKZVVSZ-UHFFFAOYSA-N -1 3 381.457 3.899 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000854842084 880090600 /nfs/dbraw/zinc/09/06/00/880090600.db2.gz FHKGFTFZQVFGBI-HNNXBMFYSA-N -1 3 381.501 3.711 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(Br)cc1Cl ZINC000009766445 880095714 /nfs/dbraw/zinc/09/57/14/880095714.db2.gz ONSIVGYEGXAWDH-UHFFFAOYSA-N -1 3 384.613 3.604 20 0 GHADHM CC[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000855388110 880493721 /nfs/dbraw/zinc/49/37/21/880493721.db2.gz KVOSPUYMGCZQID-SNVBAGLBSA-N -1 3 393.336 3.600 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCOc2ccc3ccccc3c2)c1 ZINC000531895885 880699054 /nfs/dbraw/zinc/69/90/54/880699054.db2.gz PSVUFMUJAKPVBF-UHFFFAOYSA-N -1 3 378.428 3.703 20 0 GHADHM Cc1cc(Br)c2ccccc2c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000531907514 880721547 /nfs/dbraw/zinc/72/15/47/880721547.db2.gz MELHEPAPJNREEH-LBPRGKRZSA-N -1 3 384.295 3.831 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000791835261 880741892 /nfs/dbraw/zinc/74/18/92/880741892.db2.gz USQPFAAHLBNBTA-CYBMUJFWSA-N -1 3 386.452 3.695 20 0 GHADHM CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)c1cc([O-])c2ccccc2c1 ZINC000855819935 880793638 /nfs/dbraw/zinc/79/36/38/880793638.db2.gz PKVFBPFSAGVYQQ-UHFFFAOYSA-N -1 3 382.460 3.675 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)no1 ZINC000186223317 880823687 /nfs/dbraw/zinc/82/36/87/880823687.db2.gz FFMMVEUAWGCDEF-UHFFFAOYSA-N -1 3 393.292 3.775 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCOc2cc(F)ccc21)c1cnc(Cl)c(Cl)c1 ZINC000776873887 880938066 /nfs/dbraw/zinc/93/80/66/880938066.db2.gz UUNCALZUHFXRPL-CYBMUJFWSA-N -1 3 391.251 3.720 20 0 GHADHM O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792451760 881106497 /nfs/dbraw/zinc/10/64/97/881106497.db2.gz YDZPPXTVISMRAS-UHFFFAOYSA-N -1 3 380.375 3.758 20 0 GHADHM CN(C)c1ccc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000792486726 881142022 /nfs/dbraw/zinc/14/20/22/881142022.db2.gz PROLIIGHUMAIPQ-UHFFFAOYSA-N -1 3 375.432 3.855 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)CC1(CC(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000643343401 912647161 /nfs/dbraw/zinc/64/71/61/912647161.db2.gz YIKCOWLZVTWOKQ-KRWDZBQOSA-N -1 3 380.916 3.874 20 0 GHADHM CON(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856340703 881148396 /nfs/dbraw/zinc/14/83/96/881148396.db2.gz QBFZREJNLLMUDF-LLVKDONJSA-N -1 3 383.370 3.512 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(=O)[n-]1 ZINC000856371307 881181047 /nfs/dbraw/zinc/18/10/47/881181047.db2.gz LIRMFBXDUMPDOE-UHFFFAOYSA-N -1 3 386.452 3.636 20 0 GHADHM CCCCc1nc(NC(=O)C=Cc2ccnc(Cl)c2)c(C(=O)OCC)[n-]1 ZINC000792556409 881191301 /nfs/dbraw/zinc/19/13/01/881191301.db2.gz USLVYPHITMVMOI-FPLPWBNLSA-N -1 3 376.844 3.629 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000187462505 881203957 /nfs/dbraw/zinc/20/39/57/881203957.db2.gz WBLULXSLNUCDJP-UHFFFAOYSA-N -1 3 375.490 3.855 20 0 GHADHM COC(=O)c1cnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n-]1 ZINC000187590276 881239308 /nfs/dbraw/zinc/23/93/08/881239308.db2.gz SESVWKLSXVTCSH-UHFFFAOYSA-N -1 3 394.667 3.887 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000640293154 881277414 /nfs/dbraw/zinc/27/74/14/881277414.db2.gz RJALXFXKGGKMSR-GFCCVEGCSA-N -1 3 388.821 3.924 20 0 GHADHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551096456 883281839 /nfs/dbraw/zinc/28/18/39/883281839.db2.gz VTZDOQNANWCHCH-UHFFFAOYSA-N -1 3 381.860 3.506 20 0 GHADHM CN(CCOc1ccccc1C(=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000183915690 883309891 /nfs/dbraw/zinc/30/98/91/883309891.db2.gz WTJBHJABCBCWFL-FUHWJXTLSA-N -1 3 396.270 3.661 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[n-]1 ZINC000551159736 883399015 /nfs/dbraw/zinc/39/90/15/883399015.db2.gz BDJHUNKRDXMAMD-UHFFFAOYSA-N -1 3 391.143 3.835 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1C ZINC000135511037 883424320 /nfs/dbraw/zinc/42/43/20/883424320.db2.gz UVKKRBCSWNBZTF-UHFFFAOYSA-N -1 3 394.403 3.568 20 0 GHADHM Cc1cccc([C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C(C)C)c1 ZINC000858880248 883424340 /nfs/dbraw/zinc/42/43/40/883424340.db2.gz WCQIKODYZTWMFI-WBVHZDCISA-N -1 3 399.457 3.792 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)ccc1F ZINC000078515120 883487617 /nfs/dbraw/zinc/48/76/17/883487617.db2.gz NAITXITXSFMSPO-UHFFFAOYSA-N -1 3 394.321 3.607 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000805022322 883537832 /nfs/dbraw/zinc/53/78/32/883537832.db2.gz OTJORCGGQZSGFB-PBHICJAKSA-N -1 3 398.887 3.629 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccco1 ZINC000805039644 883553438 /nfs/dbraw/zinc/55/34/38/883553438.db2.gz INWDTABNXRPXOG-SFHVURJKSA-N -1 3 392.864 3.713 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(SC(F)(F)F)nc1)c2=O ZINC001183682809 912726581 /nfs/dbraw/zinc/72/65/81/912726581.db2.gz KPVSRLVFRTWZDI-UHFFFAOYSA-N -1 3 395.362 3.796 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000609769400 883626141 /nfs/dbraw/zinc/62/61/41/883626141.db2.gz QETAJUZSADNZQJ-QWRGUYRKSA-N -1 3 382.320 3.541 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000029737388 883667628 /nfs/dbraw/zinc/66/76/28/883667628.db2.gz DSFMYDZKGOVXJU-UHFFFAOYSA-N -1 3 384.860 3.808 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc3ccccc32)no1 ZINC000477123684 883754200 /nfs/dbraw/zinc/75/42/00/883754200.db2.gz DJOPWNIBASMINQ-UHFFFAOYSA-N -1 3 379.441 3.677 20 0 GHADHM CCc1cc2c(CNc3ccc(OCCC(=O)OC)cc3)cc(=O)oc2cc1[O-] ZINC000064610000 883758142 /nfs/dbraw/zinc/75/81/42/883758142.db2.gz IAYBJHGJVDYUJN-UHFFFAOYSA-N -1 3 397.427 3.615 20 0 GHADHM COC(=O)c1cnc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000187588895 883801020 /nfs/dbraw/zinc/80/10/20/883801020.db2.gz DTEINXLUCBGTIM-UHFFFAOYSA-N -1 3 384.339 3.557 20 0 GHADHM Cc1nc([N-]C(=O)c2cnns2)sc1-c1nc2ccccc2n1C(F)F ZINC000194409749 883807767 /nfs/dbraw/zinc/80/77/67/883807767.db2.gz SWYPRSNKEHBFJT-UHFFFAOYSA-N -1 3 392.416 3.967 20 0 GHADHM CC(C)C[C@H](CNCc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)[O-] ZINC000263100448 883825549 /nfs/dbraw/zinc/82/55/49/883825549.db2.gz WTTHEOCJSYKDKC-CYBMUJFWSA-N -1 3 380.286 3.676 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Cl)cc1C(F)(F)F ZINC000477169431 883829423 /nfs/dbraw/zinc/82/94/23/883829423.db2.gz VKWAXFBYMZZSPW-APHBMKBZSA-N -1 3 387.810 3.975 20 0 GHADHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1ccccc1 ZINC000477178996 883848667 /nfs/dbraw/zinc/84/86/67/883848667.db2.gz PCVYDMCDDZEHJC-LJQANCHMSA-N -1 3 398.484 3.596 20 0 GHADHM O=C([N-]CCCSCc1ccccc1OCC(F)(F)F)C(F)(F)F ZINC000774679235 912787757 /nfs/dbraw/zinc/78/77/57/912787757.db2.gz GSHVWKWGBFJDOH-UHFFFAOYSA-N -1 3 375.334 3.930 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1csc(=NC2CC2)[n-]1 ZINC000494931614 884207878 /nfs/dbraw/zinc/20/78/78/884207878.db2.gz QXXPSLXANZQFDB-LJQANCHMSA-N -1 3 389.484 3.535 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H]2CCN2Cc2ccccc2)c([O-])c1 ZINC001183754061 912799088 /nfs/dbraw/zinc/79/90/88/912799088.db2.gz YGIXMHFAQALZOB-GOSISDBHSA-N -1 3 382.460 3.561 20 0 GHADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(Br)ccc1[O-] ZINC000036684486 884232894 /nfs/dbraw/zinc/23/28/94/884232894.db2.gz PQFZTGJXAYUOMQ-OAHLLOKOSA-N -1 3 393.281 3.705 20 0 GHADHM COc1cccc(-c2nsc(NC([O-])=Cc3ccc4c(c3)CCCC4)n2)c1 ZINC000476328136 884400767 /nfs/dbraw/zinc/40/07/67/884400767.db2.gz XPAHKGRKGVFKTH-UHFFFAOYSA-N -1 3 379.485 3.696 20 0 GHADHM CC(C)CO[C@H](C)c1noc(COC(=O)c2cc([O-])cc(Br)c2)n1 ZINC000860202503 884413863 /nfs/dbraw/zinc/41/38/63/884413863.db2.gz UCEQKXJYRFMQOX-SNVBAGLBSA-N -1 3 399.241 3.628 20 0 GHADHM COc1cc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cc(OC)c1OC ZINC000556323276 884471614 /nfs/dbraw/zinc/47/16/14/884471614.db2.gz AFGNTYBTMFKNPL-SBUREZEXSA-N -1 3 399.487 3.925 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)o1 ZINC000556323853 884472410 /nfs/dbraw/zinc/47/24/10/884472410.db2.gz NLNSIKWOZZVRQH-UHFFFAOYSA-N -1 3 383.520 3.599 20 0 GHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2)cc1OC ZINC000029335841 884552139 /nfs/dbraw/zinc/55/21/39/884552139.db2.gz QJAWOGSXSSURQF-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1F ZINC000914706566 884571828 /nfs/dbraw/zinc/57/18/28/884571828.db2.gz SYFUAEMENUBKFT-UHFFFAOYSA-N -1 3 386.448 3.918 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1F ZINC000914718378 884597833 /nfs/dbraw/zinc/59/78/33/884597833.db2.gz OHXHXACTFUUCGF-BFYDXBDKSA-N -1 3 396.528 3.601 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1F ZINC000914724790 884614997 /nfs/dbraw/zinc/61/49/97/884614997.db2.gz XXHULNHRNSNNNE-UHFFFAOYSA-N -1 3 392.496 3.566 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)n1 ZINC000898261258 884683806 /nfs/dbraw/zinc/68/38/06/884683806.db2.gz GNXSMFYSRXPNEA-UHFFFAOYSA-N -1 3 384.263 3.519 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)NCc2nc(C)cc(=O)[n-]2)cc1OCC ZINC000898264726 884685044 /nfs/dbraw/zinc/68/50/44/884685044.db2.gz MHRWFJOYZWJEQN-UHFFFAOYSA-N -1 3 393.871 3.652 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[N-]OCCC(F)(F)F ZINC000154866775 884706492 /nfs/dbraw/zinc/70/64/92/884706492.db2.gz JPZAJKFHJQUJHO-STQMWFEESA-N -1 3 382.423 3.850 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000806453828 884722099 /nfs/dbraw/zinc/72/20/99/884722099.db2.gz NSJQAMXGHFWWSL-LLVKDONJSA-N -1 3 399.285 3.740 20 0 GHADHM COC1(OC)CC2(CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)[C@@H]2C(C)C)C1 ZINC000898345922 884763119 /nfs/dbraw/zinc/76/31/19/884763119.db2.gz BNTSDGPJGCZIDX-OAHLLOKOSA-N -1 3 387.398 3.661 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C(=Cc3ccccc3)C(F)(F)F)nc21 ZINC001127331412 885201872 /nfs/dbraw/zinc/20/18/72/885201872.db2.gz PMSOENCAJSWTJR-RAXLEYEMSA-N -1 3 389.333 3.934 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccc(C(C)C)cc3)nc21 ZINC001127330702 885201948 /nfs/dbraw/zinc/20/19/48/885201948.db2.gz IWMWFUFNXJGDDW-UHFFFAOYSA-N -1 3 381.432 3.881 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123719251 885266936 /nfs/dbraw/zinc/26/69/36/885266936.db2.gz UNRHRWDNMQBRBO-SNVBAGLBSA-N -1 3 381.398 3.886 20 0 GHADHM O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053504780 885286108 /nfs/dbraw/zinc/28/61/08/885286108.db2.gz CGIVRWKADHEWAJ-UHFFFAOYSA-N -1 3 389.386 3.785 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000107355133 885302563 /nfs/dbraw/zinc/30/25/63/885302563.db2.gz POGRWDRDODUFNR-LBPRGKRZSA-N -1 3 381.457 3.965 20 0 GHADHM COC(=O)c1oc2ccccc2c1COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329254 885347016 /nfs/dbraw/zinc/34/70/16/885347016.db2.gz MLWKPFVSENYDFG-UHFFFAOYSA-N -1 3 380.356 3.868 20 0 GHADHM COC(=O)c1oc2ccccc2c1COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329254 885347037 /nfs/dbraw/zinc/34/70/37/885347037.db2.gz MLWKPFVSENYDFG-UHFFFAOYSA-N -1 3 380.356 3.868 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104365505 885394502 /nfs/dbraw/zinc/39/45/02/885394502.db2.gz GADNGUSJTIDFGF-UHFFFAOYSA-N -1 3 377.404 3.790 20 0 GHADHM CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104365505 885394522 /nfs/dbraw/zinc/39/45/22/885394522.db2.gz GADNGUSJTIDFGF-UHFFFAOYSA-N -1 3 377.404 3.790 20 0 GHADHM O=C([N-]NC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1F ZINC000015738432 885439243 /nfs/dbraw/zinc/43/92/43/885439243.db2.gz QGWULSAKIJGVEQ-UHFFFAOYSA-N -1 3 386.386 3.511 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c([O-])c1 ZINC000046042000 885456924 /nfs/dbraw/zinc/45/69/24/885456924.db2.gz FFRHXOKSKZLPPU-UHFFFAOYSA-N -1 3 393.270 3.606 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C(c2ccc(F)cc2)c2ccc(F)cc2)s1 ZINC000533175210 885511841 /nfs/dbraw/zinc/51/18/41/885511841.db2.gz KOCRFUVLBRCXTR-UHFFFAOYSA-N -1 3 380.441 3.798 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(C)o1 ZINC000151617536 885716296 /nfs/dbraw/zinc/71/62/96/885716296.db2.gz NRNASGGQBWGRBN-CQSZACIVSA-N -1 3 378.277 3.702 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000807812220 885735515 /nfs/dbraw/zinc/73/55/15/885735515.db2.gz YYPYRHXQYMGVJL-JOCHJYFZSA-N -1 3 388.508 3.818 20 0 GHADHM COc1ccc(C(F)(F)C(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000807788542 885744987 /nfs/dbraw/zinc/74/49/87/885744987.db2.gz SIMFQZFWBHMUEW-OAHLLOKOSA-N -1 3 389.320 3.656 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2ccccc2[O-])ccc1OCc1ccncc1 ZINC000046672018 885773023 /nfs/dbraw/zinc/77/30/23/885773023.db2.gz XSCUXBUWVUBASX-HNNXBMFYSA-N -1 3 378.428 3.866 20 0 GHADHM O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1nnc(CCC2CCCC2)[n-]1 ZINC000108593034 885790974 /nfs/dbraw/zinc/79/09/74/885790974.db2.gz ONHGSZLFLCYTEQ-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1nc(CCC2CCCC2)n[n-]1 ZINC000108593034 885790986 /nfs/dbraw/zinc/79/09/86/885790986.db2.gz ONHGSZLFLCYTEQ-UHFFFAOYSA-N -1 3 386.477 3.556 20 0 GHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000556707411 885961938 /nfs/dbraw/zinc/96/19/38/885961938.db2.gz DTNKCWGPVWTYMB-QFBILLFUSA-N -1 3 396.487 3.661 20 0 GHADHM O=C1OCc2c1cccc2[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000808127150 886003835 /nfs/dbraw/zinc/00/38/35/886003835.db2.gz QVSAUXPFCFWRRS-HJWRWDBZSA-N -1 3 394.246 3.532 20 0 GHADHM CC(C)Cn1ncc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c1C1CC1 ZINC000808119579 886030353 /nfs/dbraw/zinc/03/03/53/886030353.db2.gz QWTWJSGXGQIUDC-UHFFFAOYSA-N -1 3 387.505 3.982 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3cc4cc(F)ccc4o3)n[nH]2)c(OC)c1 ZINC000117638971 886087211 /nfs/dbraw/zinc/08/72/11/886087211.db2.gz IFOHFTAQUXSBSS-UHFFFAOYSA-N -1 3 382.351 3.627 20 0 GHADHM O=S(=O)([N-]c1cc2ccccc2nc1Br)c1cccnc1Cl ZINC000762502241 886294703 /nfs/dbraw/zinc/29/47/03/886294703.db2.gz LQRHRXWRUNMQGB-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM COc1cc(OC)cc([C@@H]([N-]c2nc3cc(F)ccc3o2)c2nccn2C)c1 ZINC000114446664 886311563 /nfs/dbraw/zinc/31/15/63/886311563.db2.gz FRWCIQFAGRLFRU-GOSISDBHSA-N -1 3 382.395 3.919 20 0 GHADHM CC(C)OCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000115906963 886351385 /nfs/dbraw/zinc/35/13/85/886351385.db2.gz XFTAXFQHKVCTSD-IBGZPJMESA-N -1 3 382.460 3.561 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000762583917 886461987 /nfs/dbraw/zinc/46/19/87/886461987.db2.gz PRWRKULPOOLPPO-YOEHRIQHSA-N -1 3 394.487 3.616 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)c(C)s1 ZINC000057119177 886467973 /nfs/dbraw/zinc/46/79/73/886467973.db2.gz ZNJYDIZXKFWCCH-UHFFFAOYSA-N -1 3 386.926 3.957 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(C)c1 ZINC000057120209 886468016 /nfs/dbraw/zinc/46/80/16/886468016.db2.gz ZETQVJSXLXNSJQ-UHFFFAOYSA-N -1 3 375.475 3.631 20 0 GHADHM CCO[C@@H](CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000057179216 886549054 /nfs/dbraw/zinc/54/90/54/886549054.db2.gz AKWQGDGVTDCEHQ-SFHVURJKSA-N -1 3 376.478 3.549 20 0 GHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Cc1cccs1 ZINC000131863940 886581297 /nfs/dbraw/zinc/58/12/97/886581297.db2.gz TYQFCSZNNARYSL-LLVKDONJSA-N -1 3 383.311 3.894 20 0 GHADHM O=c1[n-]c(SC[C@H]2CC[C@H](C(F)(F)F)O2)nc2c1cnn2-c1ccccc1 ZINC000915418698 886598981 /nfs/dbraw/zinc/59/89/81/886598981.db2.gz LPJLCWJYPJVKPM-DGCLKSJQSA-N -1 3 396.394 3.723 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)N3CCC[C@H]3c3cccs3)n[n-]c21 ZINC000808675718 886674643 /nfs/dbraw/zinc/67/46/43/886674643.db2.gz QFKZPTLOWPLBOF-JSGCOSHPSA-N -1 3 399.472 3.542 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000808675718 886674649 /nfs/dbraw/zinc/67/46/49/886674649.db2.gz QFKZPTLOWPLBOF-JSGCOSHPSA-N -1 3 399.472 3.542 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000057558862 886744823 /nfs/dbraw/zinc/74/48/23/886744823.db2.gz SDSOJDWJNJAZLP-QGZVFWFLSA-N -1 3 390.386 3.759 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(C2OCCO2)c1 ZINC000808852338 886879376 /nfs/dbraw/zinc/87/93/76/886879376.db2.gz RZZQYUMXWCUDTQ-UHFFFAOYSA-N -1 3 393.237 3.522 20 0 GHADHM CCCCN(C)C(=O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459321664 887350680 /nfs/dbraw/zinc/35/06/80/887350680.db2.gz GSUNHQOFXHDPFA-UHFFFAOYSA-N -1 3 383.330 3.625 20 0 GHADHM Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c(C)c1 ZINC000863859090 887418473 /nfs/dbraw/zinc/41/84/73/887418473.db2.gz JJMAWRMUSSUHHB-SNVBAGLBSA-N -1 3 398.246 3.832 20 0 GHADHM O=C1CCCN1Cc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000459349085 887549505 /nfs/dbraw/zinc/54/95/05/887549505.db2.gz UFCJIBPBVBEQAM-UHFFFAOYSA-N -1 3 375.266 3.889 20 0 GHADHM COc1ccccc1OCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000781123586 887583653 /nfs/dbraw/zinc/58/36/53/887583653.db2.gz YSOKLABUOXPIAO-UHFFFAOYSA-N -1 3 398.228 3.614 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)CCNCc1csc(C(=O)[O-])c1 ZINC000901444637 921114759 /nfs/dbraw/zinc/11/47/59/921114759.db2.gz ZRSBMIDBHKCJLZ-UHFFFAOYSA-N -1 3 397.294 3.636 20 0 GHADHM Cc1ccc(C[C@@H](NCc2nccc(C)c2Br)C(=O)[O-])cc1C ZINC000864516668 887819995 /nfs/dbraw/zinc/81/99/95/887819995.db2.gz OXDTXIRQJVNHKE-OAHLLOKOSA-N -1 3 377.282 3.555 20 0 GHADHM CCCCCCOc1cc(C)ccc1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000120131622 887882411 /nfs/dbraw/zinc/88/24/11/887882411.db2.gz UJNIEBYSPCZBGP-UHFFFAOYSA-N -1 3 385.508 3.513 20 0 GHADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cn(C4CC4)cn3)nc(=O)c2c1C ZINC000865215227 888248989 /nfs/dbraw/zinc/24/89/89/888248989.db2.gz LSODANZZJGWOOX-VZUCSPMQSA-N -1 3 390.852 3.760 20 0 GHADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1c[n-]c2ccccc2c1=O ZINC000054136071 888266467 /nfs/dbraw/zinc/26/64/67/888266467.db2.gz XUXWRWXDJHFERE-UHFFFAOYSA-N -1 3 384.439 3.980 20 0 GHADHM COc1ccc2[nH]cc(C(=O)C(=O)[N-]c3cc(-c4ccc(F)cc4)no3)c2c1 ZINC001184486666 913252693 /nfs/dbraw/zinc/25/26/93/913252693.db2.gz BFVJNYHOUDLVBG-UHFFFAOYSA-N -1 3 379.347 3.792 20 0 GHADHM CC[C@H](CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)C(C)(C)C ZINC001132326917 888643495 /nfs/dbraw/zinc/64/34/95/888643495.db2.gz SDQNPZUBHNSEEX-LLVKDONJSA-N -1 3 375.560 3.621 20 0 GHADHM CCCC1=NC(=S)N[C@H](c2cc(Cl)c([O-])c(OCC)c2)C1C(=O)OCC ZINC000916190953 888827890 /nfs/dbraw/zinc/82/78/90/888827890.db2.gz GXZUXSCSIVPIHT-OAHLLOKOSA-N -1 3 398.912 3.580 20 0 GHADHM CC[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000810748605 888847387 /nfs/dbraw/zinc/84/73/87/888847387.db2.gz HWTQUHOWYNZFKK-BLLLJJGKSA-N -1 3 382.888 3.811 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccco2)n1 ZINC000123419898 889031685 /nfs/dbraw/zinc/03/16/85/889031685.db2.gz LSDBQMGHXMAAQI-LBPRGKRZSA-N -1 3 383.433 3.837 20 0 GHADHM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000532839556 889059271 /nfs/dbraw/zinc/05/92/71/889059271.db2.gz KKEGUCJOAVFHCR-AWEZNQCLSA-N -1 3 388.880 3.966 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000532853586 889087352 /nfs/dbraw/zinc/08/73/52/889087352.db2.gz JYTCOKLNTXMMQU-MRXNPFEDSA-N -1 3 379.894 3.568 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000532862325 889109129 /nfs/dbraw/zinc/10/91/29/889109129.db2.gz KSGZKIDDBCXYSY-UHFFFAOYSA-N -1 3 376.456 3.719 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccc4n[nH]cc4c3)nc(=O)c2c1C ZINC000796119192 913311781 /nfs/dbraw/zinc/31/17/81/913311781.db2.gz CXFQIXNCKZDNTG-JTQLQIEISA-N -1 3 382.445 3.737 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000121777591 889139214 /nfs/dbraw/zinc/13/92/14/889139214.db2.gz JOJHIVRWYSXHJO-KRWDZBQOSA-N -1 3 388.439 3.804 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000497034171 889300085 /nfs/dbraw/zinc/30/00/85/889300085.db2.gz RDRGFNMDVNLPTA-KRWDZBQOSA-N -1 3 384.382 3.792 20 0 GHADHM COc1ccc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c(OC)c1 ZINC000811396934 889537402 /nfs/dbraw/zinc/53/74/02/889537402.db2.gz UMVAYNVXDRCUEO-UHFFFAOYSA-N -1 3 394.836 3.696 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811397302 889537713 /nfs/dbraw/zinc/53/77/13/889537713.db2.gz YJCAJOVGKCAANX-SNVBAGLBSA-N -1 3 392.864 3.926 20 0 GHADHM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000207499271 889586331 /nfs/dbraw/zinc/58/63/31/889586331.db2.gz CPOVYLUYVOZCCI-KHPPLWFESA-N -1 3 389.864 3.540 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1C ZINC000124983945 889837397 /nfs/dbraw/zinc/83/73/97/889837397.db2.gz BIUCMCVAGWYBIP-UHFFFAOYSA-N -1 3 380.441 3.542 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1NC(=O)c1ccco1 ZINC000125138238 889886021 /nfs/dbraw/zinc/88/60/21/889886021.db2.gz HTJXQCWWWGQQFG-UHFFFAOYSA-N -1 3 398.440 3.576 20 0 GHADHM COc1cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2Cl)cc(OC)c1[O-] ZINC000869448353 889941755 /nfs/dbraw/zinc/94/17/55/889941755.db2.gz XBGPSJDGTSNVJT-LLVKDONJSA-N -1 3 393.823 3.555 20 0 GHADHM O=c1[n-]c(CN(Cc2ccco2)C[C@@H]2CCCO2)nc2c3ccccc3oc21 ZINC000064482563 889963918 /nfs/dbraw/zinc/96/39/18/889963918.db2.gz NTSURQNKPVREKH-HNNXBMFYSA-N -1 3 379.416 3.856 20 0 GHADHM O=S(=O)([N-]Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1C(F)(F)F ZINC000125684275 890077952 /nfs/dbraw/zinc/07/79/52/890077952.db2.gz TYUWHHKAKZMWKL-UHFFFAOYSA-N -1 3 391.390 3.635 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cn4c(n3)C[C@H](C)CC4)nc(=O)c2c1C ZINC000869856595 890101107 /nfs/dbraw/zinc/10/11/07/890101107.db2.gz DFCGZQLOXYSTPM-KOLCDFICSA-N -1 3 386.477 3.711 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1 ZINC000916729939 890140233 /nfs/dbraw/zinc/14/02/33/890140233.db2.gz KPKOYKCEYARSMS-HOTGVXAUSA-N -1 3 392.496 3.857 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1Cl ZINC000916729916 890140382 /nfs/dbraw/zinc/14/03/82/890140382.db2.gz ISICLFQYEJPKSE-UHFFFAOYSA-N -1 3 375.277 3.869 20 0 GHADHM CN(CCc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126131377 890377907 /nfs/dbraw/zinc/37/79/07/890377907.db2.gz DIAVBFYRBGQJTL-UHFFFAOYSA-N -1 3 381.245 3.678 20 0 GHADHM O=C(OC1(C2CC2)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000747773962 890427103 /nfs/dbraw/zinc/42/71/03/890427103.db2.gz ZIEOJCNKKYSBPX-UHFFFAOYSA-N -1 3 375.421 3.726 20 0 GHADHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000126241201 890440056 /nfs/dbraw/zinc/44/00/56/890440056.db2.gz ZSLUPYCIOBIGEV-NSHDSACASA-N -1 3 388.349 3.797 20 0 GHADHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccc(C(=O)c2ccccc2)c1 ZINC000126241201 890440063 /nfs/dbraw/zinc/44/00/63/890440063.db2.gz ZSLUPYCIOBIGEV-NSHDSACASA-N -1 3 388.349 3.797 20 0 GHADHM Cc1nc(C(C)(C)NC(=O)NCc2ccc([O-])c(Br)c2)sc1C ZINC000126290773 890459338 /nfs/dbraw/zinc/45/93/38/890459338.db2.gz OTWRGUVEZZSBKC-UHFFFAOYSA-N -1 3 398.326 3.963 20 0 GHADHM CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812278457 890496430 /nfs/dbraw/zinc/49/64/30/890496430.db2.gz GHWOEJGPDCEYDG-CVEARBPZSA-N -1 3 376.463 3.900 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCc3c[nH]c4ccccc34)nc21 ZINC000533469360 890629682 /nfs/dbraw/zinc/62/96/82/890629682.db2.gz ILVKNTMCNCDKHN-UHFFFAOYSA-N -1 3 376.416 3.792 20 0 GHADHM CCOC(=O)c1cnc(C(=O)[N-]c2onc(C(F)(F)F)c2CC)c(Cl)c1 ZINC000287666927 913476442 /nfs/dbraw/zinc/47/64/42/913476442.db2.gz BMNWXVAAIGNXQT-UHFFFAOYSA-N -1 3 391.733 3.733 20 0 GHADHM CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)[N-]OCCCC(F)(F)F)C2 ZINC000871209884 890695815 /nfs/dbraw/zinc/69/58/15/890695815.db2.gz JTLMLLRIWJTBJB-UHFFFAOYSA-N -1 3 380.407 3.556 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000065871837 890715783 /nfs/dbraw/zinc/71/57/83/890715783.db2.gz PKOVXHWLHOGVPM-UHFFFAOYSA-N -1 3 397.425 3.503 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)c2ccccc21)C(F)(F)F ZINC000871315232 890748963 /nfs/dbraw/zinc/74/89/63/890748963.db2.gz AKTXCQOEOXHVGB-CYBMUJFWSA-N -1 3 391.393 3.705 20 0 GHADHM CC[C@@H](CC(F)F)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315388 890750335 /nfs/dbraw/zinc/75/03/35/890750335.db2.gz CCAWXROWUOMJNH-NWDGAFQWSA-N -1 3 392.368 3.867 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)c(Cl)c1)c1cccnc1Cl ZINC001184889428 913483881 /nfs/dbraw/zinc/48/38/81/913483881.db2.gz LMZFCBINQDNLSO-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000533538196 890795628 /nfs/dbraw/zinc/79/56/28/890795628.db2.gz UMTQAWLOQSSTDT-UHFFFAOYSA-N -1 3 395.333 3.784 20 0 GHADHM COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[N-]OC2CCC2)cc1 ZINC000812795300 890988718 /nfs/dbraw/zinc/98/87/18/890988718.db2.gz QHVLCQZNOZSWSX-UHFFFAOYSA-N -1 3 377.444 3.691 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CN3CCOCC3)ccc2C)c(C)c1 ZINC000127321674 891002720 /nfs/dbraw/zinc/00/27/20/891002720.db2.gz LHEUAKQAQADJCH-UHFFFAOYSA-N -1 3 388.533 3.553 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)c(C)c1 ZINC000127519847 891109463 /nfs/dbraw/zinc/10/94/63/891109463.db2.gz ZIPYCGDCEXDHID-UHFFFAOYSA-N -1 3 382.489 3.617 20 0 GHADHM C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([O-])c1F ZINC000872070632 891138376 /nfs/dbraw/zinc/13/83/76/891138376.db2.gz VMOXYGHHCHJSIF-DMZKTXOQSA-N -1 3 397.450 3.607 20 0 GHADHM COc1ccc(COCCN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)cc1 ZINC000872164474 891188318 /nfs/dbraw/zinc/18/83/18/891188318.db2.gz IZTSGRCQFWMVES-UHFFFAOYSA-N -1 3 390.505 3.555 20 0 GHADHM O=C1CCCN1C[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459387035 891201405 /nfs/dbraw/zinc/20/14/05/891201405.db2.gz ITHREVFTAYNGMS-MRXNPFEDSA-N -1 3 389.293 3.608 20 0 GHADHM CCOCCC1(CNc2ccc(Br)cc2-c2nnn[n-]2)CCC1 ZINC000825589325 891208403 /nfs/dbraw/zinc/20/84/03/891208403.db2.gz DSLYTXFRAMMDQC-UHFFFAOYSA-N -1 3 380.290 3.638 20 0 GHADHM CCOCCC1(CNc2ccc(Br)cc2-c2nn[n-]n2)CCC1 ZINC000825589325 891208414 /nfs/dbraw/zinc/20/84/14/891208414.db2.gz DSLYTXFRAMMDQC-UHFFFAOYSA-N -1 3 380.290 3.638 20 0 GHADHM [O-]c1ccc(Nc2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)c(F)c1F ZINC001212003192 891282153 /nfs/dbraw/zinc/28/21/53/891282153.db2.gz SSHPNLWUGWYODJ-JTQLQIEISA-N -1 3 381.770 3.906 20 0 GHADHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)Cc1ccsc1Br ZINC000917117038 891284714 /nfs/dbraw/zinc/28/47/14/891284714.db2.gz RTKWMBNSVIMKDW-UHFFFAOYSA-N -1 3 393.328 3.550 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000127970626 891339882 /nfs/dbraw/zinc/33/98/82/891339882.db2.gz RNHNOGPLFSMGKM-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)cc1F ZINC001212179845 891364421 /nfs/dbraw/zinc/36/44/21/891364421.db2.gz OTNQLVMWBPSEJN-INIZCTEOSA-N -1 3 387.473 3.517 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137068539 891474935 /nfs/dbraw/zinc/47/49/35/891474935.db2.gz HOWPUNPBJVPOAQ-CXAGYDPISA-N -1 3 389.293 3.989 20 0 GHADHM CC[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)OCCc2ccccc21 ZINC001212063799 891484606 /nfs/dbraw/zinc/48/46/06/891484606.db2.gz HRFAZHKCOLBBQJ-GOSISDBHSA-N -1 3 383.872 3.636 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1ccc(Br)s1 ZINC000025657352 891540447 /nfs/dbraw/zinc/54/04/47/891540447.db2.gz GJCZMTUBYNXVMJ-UHFFFAOYSA-N -1 3 389.321 3.599 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000571815813 891587658 /nfs/dbraw/zinc/58/76/58/891587658.db2.gz FCBBAIMYSKKNAH-CQSZACIVSA-N -1 3 380.366 3.502 20 0 GHADHM Cc1nccc(C(F)(F)F)c1C(=O)[N-]c1nonc1-c1nc2ccccc2[nH]1 ZINC001185024883 913584868 /nfs/dbraw/zinc/58/48/68/913584868.db2.gz LUUSWOUGTFCPLU-UHFFFAOYSA-N -1 3 388.309 3.587 20 0 GHADHM CC(C)Oc1ccc(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000873645853 891723192 /nfs/dbraw/zinc/72/31/92/891723192.db2.gz RSRGTYALPXBCEM-HOTGVXAUSA-N -1 3 391.899 3.551 20 0 GHADHM CCOC(=O)c1sc(C2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)nc1C ZINC000873646557 891724715 /nfs/dbraw/zinc/72/47/15/891724715.db2.gz IAOAGYOBNRWTSK-UHFFFAOYSA-N -1 3 388.489 3.706 20 0 GHADHM CCc1ccc(-c2csc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)n2)cc1 ZINC000497544138 891850787 /nfs/dbraw/zinc/85/07/87/891850787.db2.gz XCTHPGNRCYOPQR-UHFFFAOYSA-N -1 3 376.459 3.621 20 0 GHADHM O=C(NCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccs1 ZINC000116615155 892006215 /nfs/dbraw/zinc/00/62/15/892006215.db2.gz YLSKLBGXQRUUDI-UHFFFAOYSA-N -1 3 394.496 3.594 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](O)c3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000813839236 892040927 /nfs/dbraw/zinc/04/09/27/892040927.db2.gz WLPWEPFPIPLMIG-GOSISDBHSA-N -1 3 398.850 3.666 20 0 GHADHM O=C(c1cccc(Cl)c1[O-])N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001272105106 892095466 /nfs/dbraw/zinc/09/54/66/892095466.db2.gz HYDKCUNAFDYVAF-KBPBESRZSA-N -1 3 376.806 3.677 20 0 GHADHM CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000162208407 892096875 /nfs/dbraw/zinc/09/68/75/892096875.db2.gz DZUWCRHZOXDMAO-UHFFFAOYSA-N -1 3 392.253 3.743 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(I)ccc2[O-])CCO1 ZINC000611556291 892241997 /nfs/dbraw/zinc/24/19/97/892241997.db2.gz LUWCVKIMTWUSLV-CMPLNLGQSA-N -1 3 389.233 3.531 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185068662 913642138 /nfs/dbraw/zinc/64/21/38/913642138.db2.gz FQKIOCINWUEEMY-NSHDSACASA-N -1 3 394.711 3.736 20 0 GHADHM Cc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1Cc1cccc(C)c1 ZINC000497807267 892480463 /nfs/dbraw/zinc/48/04/63/892480463.db2.gz AXPOCDQUXXXOII-UHFFFAOYSA-N -1 3 390.486 3.600 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1 ZINC000917746181 892497394 /nfs/dbraw/zinc/49/73/94/892497394.db2.gz GKUSSLRPBSAMCO-UHFFFAOYSA-N -1 3 380.485 3.660 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCCC(=O)c3ccccc3)nc21 ZINC000162451815 892520897 /nfs/dbraw/zinc/52/08/97/892520897.db2.gz FNTCWEYJNLZLRT-UHFFFAOYSA-N -1 3 379.416 3.731 20 0 GHADHM CCCOc1c(Br)cc(Br)cc1CN(C)CC(=O)[O-] ZINC000263405494 892552527 /nfs/dbraw/zinc/55/25/27/892552527.db2.gz JOZOYDWCMQGQRL-UHFFFAOYSA-N -1 3 395.091 3.517 20 0 GHADHM CCC(C)(C)C1CCC([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 ZINC001185163958 913695822 /nfs/dbraw/zinc/69/58/22/913695822.db2.gz GXHDJDVSQVXMOV-UHFFFAOYSA-N -1 3 385.501 3.886 20 0 GHADHM CCC[C@@H](NCc1cccc([O-])c1Cl)C(=O)N1CCc2sccc2C1 ZINC000645153420 913711390 /nfs/dbraw/zinc/71/13/90/913711390.db2.gz JPUVEHCGPJIVCK-OAHLLOKOSA-N -1 3 378.925 3.950 20 0 GHADHM O=C(N[C@@H]1CCCC2(CC2)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000888702295 892977633 /nfs/dbraw/zinc/97/76/33/892977633.db2.gz KYIMNXGVGGANEL-GFCCVEGCSA-N -1 3 375.266 3.743 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000069090315 893141025 /nfs/dbraw/zinc/14/10/25/893141025.db2.gz SCICFOMUAQCHDT-HNNXBMFYSA-N -1 3 391.295 3.714 20 0 GHADHM Cc1cc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000455741193 893143721 /nfs/dbraw/zinc/14/37/21/893143721.db2.gz FYLAODYNBCCYHT-UHFFFAOYSA-N -1 3 387.867 3.652 20 0 GHADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(-c4cnco4)cc3)cc2)n1 ZINC001185227088 913741046 /nfs/dbraw/zinc/74/10/46/913741046.db2.gz GRSYPGLDEZZPED-UHFFFAOYSA-N -1 3 394.456 3.945 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)nc21 ZINC001134753234 893288604 /nfs/dbraw/zinc/28/86/04/893288604.db2.gz HXTLFAAAIJNNEB-GFCCVEGCSA-N -1 3 399.472 3.868 20 0 GHADHM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)c2)n1 ZINC000536669766 893501156 /nfs/dbraw/zinc/50/11/56/893501156.db2.gz DJFBKRNOQHFWKS-UHFFFAOYSA-N -1 3 383.473 3.615 20 0 GHADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCOc2ccc(Br)cc21 ZINC000459447362 893539384 /nfs/dbraw/zinc/53/93/84/893539384.db2.gz QJSRZKKUSLHAIN-HNNXBMFYSA-N -1 3 390.281 3.778 20 0 GHADHM O=C(OCc1ccnc(Br)c1)c1cccc(Br)c1[O-] ZINC000815208255 893610144 /nfs/dbraw/zinc/61/01/44/893610144.db2.gz VNBHBCYFMKPDPY-UHFFFAOYSA-N -1 3 387.027 3.669 20 0 GHADHM CCOc1cc(CNc2cccc(N3CCNC3=O)c2C)cc(Cl)c1[O-] ZINC000459504217 893649309 /nfs/dbraw/zinc/64/93/09/893649309.db2.gz GCBPAXPBHILREM-UHFFFAOYSA-N -1 3 375.856 3.894 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2Cl)ccc1F ZINC000774852295 913795583 /nfs/dbraw/zinc/79/55/83/913795583.db2.gz QOZLCRSHWYXJHR-LBPRGKRZSA-N -1 3 398.887 3.657 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1cccc(N2CCCC2)c1 ZINC000934493111 893675258 /nfs/dbraw/zinc/67/52/58/893675258.db2.gz ITMKGBZBXMTRGO-ZDUSSCGKSA-N -1 3 397.425 3.898 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(OC2CCC2)cc1Cl ZINC000129656394 893776127 /nfs/dbraw/zinc/77/61/27/893776127.db2.gz RDQXZNVVWSBCSF-UHFFFAOYSA-N -1 3 383.839 3.628 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(OC2CCC2)cc1Cl ZINC000129656394 893776141 /nfs/dbraw/zinc/77/61/41/893776141.db2.gz RDQXZNVVWSBCSF-UHFFFAOYSA-N -1 3 383.839 3.628 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563607326 893964656 /nfs/dbraw/zinc/96/46/56/893964656.db2.gz VVPSPXIHASXAAK-YJBOKZPZSA-N -1 3 395.931 3.619 20 0 GHADHM O=C([N-]CC1CN(C(=O)Nc2ccccc2-c2cccs2)C1)C(F)(F)F ZINC000878104826 894021224 /nfs/dbraw/zinc/02/12/24/894021224.db2.gz QFYYEMHLTGAHMF-UHFFFAOYSA-N -1 3 383.395 3.557 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)[n-]1 ZINC000815720377 894155991 /nfs/dbraw/zinc/15/59/91/894155991.db2.gz COOVYHVUZUDZGL-GFCCVEGCSA-N -1 3 387.436 3.639 20 0 GHADHM COC(=O)c1cc(C(=O)OC(c2ccc(OC)cc2)c2ccc(OC)cc2)c[n-]1 ZINC000815924545 894303916 /nfs/dbraw/zinc/30/39/16/894303916.db2.gz AKOJPVZVNPGKBB-UHFFFAOYSA-N -1 3 395.411 3.765 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000878711883 894528666 /nfs/dbraw/zinc/52/86/66/894528666.db2.gz ULKXRYUDKITSAN-HXUWFJFHSA-N -1 3 377.444 3.796 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1cccs1 ZINC001135455999 894619073 /nfs/dbraw/zinc/61/90/73/894619073.db2.gz CJHROGFHAIIQGQ-INIZCTEOSA-N -1 3 384.457 3.559 20 0 GHADHM Cc1ccc(Br)cc1C[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000564308727 894845723 /nfs/dbraw/zinc/84/57/23/894845723.db2.gz VLBAMZPHJSMWDP-JOCHJYFZSA-N -1 3 381.295 3.579 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3[O-])cc2)CC1 ZINC001135597051 894854297 /nfs/dbraw/zinc/85/42/97/894854297.db2.gz NDSOZFKXBHANEZ-UHFFFAOYSA-N -1 3 393.409 3.805 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000564461167 895010384 /nfs/dbraw/zinc/01/03/84/895010384.db2.gz IRNQLRWLWAYTPM-CYBMUJFWSA-N -1 3 386.395 3.822 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000031812973 895042059 /nfs/dbraw/zinc/04/20/59/895042059.db2.gz CUQGJAJFJYYMEF-UHFFFAOYSA-N -1 3 392.337 3.702 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000816777148 895064923 /nfs/dbraw/zinc/06/49/23/895064923.db2.gz SZIKCVIMFDQICK-MSOLQXFVSA-N -1 3 398.469 3.809 20 0 GHADHM CCOc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1OCC ZINC001135697505 895082297 /nfs/dbraw/zinc/08/22/97/895082297.db2.gz IWJNYQALAMJWNR-UHFFFAOYSA-N -1 3 388.370 3.856 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000564566186 895085911 /nfs/dbraw/zinc/08/59/11/895085911.db2.gz AHCAYYRESNKPRH-UHFFFAOYSA-N -1 3 383.466 3.834 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(Cc4ccccc4)[C@H](C)C3)c12 ZINC000565034080 895358562 /nfs/dbraw/zinc/35/85/62/895358562.db2.gz FQHDYAGIGZNVSF-CYBMUJFWSA-N -1 3 396.516 3.717 20 0 GHADHM COc1ccccc1[C@H](CNc1c(C(=O)[O-])cnc2c(OC)cccc21)N(C)C ZINC000565037950 895362794 /nfs/dbraw/zinc/36/27/94/895362794.db2.gz JWGBNLXGLXGKNJ-KRWDZBQOSA-N -1 3 395.459 3.665 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCNc2ncccc2C(F)(F)F)sc1Cl ZINC001185569050 913961356 /nfs/dbraw/zinc/96/13/56/913961356.db2.gz IMFXKNJULWMZCV-UHFFFAOYSA-N -1 3 399.847 3.514 20 0 GHADHM Cc1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)sc1Cc1cccc(C)c1 ZINC000565179444 895443929 /nfs/dbraw/zinc/44/39/29/895443929.db2.gz GEYKNBFZHXZXIV-UHFFFAOYSA-N -1 3 380.473 3.976 20 0 GHADHM CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565190310 895450651 /nfs/dbraw/zinc/45/06/51/895450651.db2.gz LJYLJTIBDQSNFP-UHFFFAOYSA-N -1 3 396.672 3.748 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)ccc1Cl ZINC001185544400 913973775 /nfs/dbraw/zinc/97/37/75/913973775.db2.gz XQMQRSNGFHBVRD-AWEZNQCLSA-N -1 3 379.787 3.936 20 0 GHADHM COCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826154967 895656934 /nfs/dbraw/zinc/65/69/34/895656934.db2.gz BKBVNQSLEMPWAE-CVEARBPZSA-N -1 3 393.491 3.774 20 0 GHADHM COCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826154967 895656939 /nfs/dbraw/zinc/65/69/39/895656939.db2.gz BKBVNQSLEMPWAE-CVEARBPZSA-N -1 3 393.491 3.774 20 0 GHADHM CCc1cccc(OCCN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC000565542462 895712211 /nfs/dbraw/zinc/71/22/11/895712211.db2.gz CEMCHHHLUBULPO-FQEVSTJZSA-N -1 3 399.487 3.719 20 0 GHADHM COC(=O)[C@@H]1CCc2sc(NC(=O)c3cc4sccc4c([O-])c3)nc2C1 ZINC000817634806 895771332 /nfs/dbraw/zinc/77/13/32/895771332.db2.gz TXTYRYNCVJNFBG-SECBINFHSA-N -1 3 388.470 3.594 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cscn1 ZINC000645655961 914008671 /nfs/dbraw/zinc/00/86/71/914008671.db2.gz YZZARECPEYMRJG-GFCCVEGCSA-N -1 3 395.506 3.762 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826184162 895858767 /nfs/dbraw/zinc/85/87/67/895858767.db2.gz MXGCDVKHFDXAJU-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000826184162 895858775 /nfs/dbraw/zinc/85/87/75/895858775.db2.gz MXGCDVKHFDXAJU-OAHLLOKOSA-N -1 3 399.323 3.547 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCCC1 ZINC000774912010 914014842 /nfs/dbraw/zinc/01/48/42/914014842.db2.gz TXISOHGDUXFMLI-UHFFFAOYSA-N -1 3 381.325 3.654 20 0 GHADHM Nc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c([O-])c1 ZINC000817998407 895982733 /nfs/dbraw/zinc/98/27/33/895982733.db2.gz JFFSJYYKVIJTPW-HNNXBMFYSA-N -1 3 398.507 3.890 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC001136109311 896020210 /nfs/dbraw/zinc/02/02/10/896020210.db2.gz URRZWAGOUYPTQU-UHFFFAOYSA-N -1 3 379.865 3.511 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCSc2ccc3c(c2)OCCCO3)c1[O-] ZINC000566281175 896214553 /nfs/dbraw/zinc/21/45/53/896214553.db2.gz ZGNKEGGXWPXRQO-UHFFFAOYSA-N -1 3 387.457 3.877 20 0 GHADHM COc1ccc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826201842 896216724 /nfs/dbraw/zinc/21/67/24/896216724.db2.gz GGOGCSQCBLBZLW-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM COc1ccc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826201842 896216740 /nfs/dbraw/zinc/21/67/40/896216740.db2.gz GGOGCSQCBLBZLW-HNNXBMFYSA-N -1 3 399.323 3.547 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCC[C@H](C)C1 ZINC000818803984 896243921 /nfs/dbraw/zinc/24/39/21/896243921.db2.gz YVJVKFMAYSCGBR-GOEBONIOSA-N -1 3 384.517 3.555 20 0 GHADHM CCCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccc(F)cc1 ZINC000566446383 896317618 /nfs/dbraw/zinc/31/76/18/896317618.db2.gz AEPFIZGYTJQKGC-UHFFFAOYSA-N -1 3 381.411 3.589 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)c1[O-] ZINC000566524064 896351029 /nfs/dbraw/zinc/35/10/29/896351029.db2.gz HJXFDIQNIUWAGN-UHFFFAOYSA-N -1 3 393.418 3.969 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)o1 ZINC000566554669 896376065 /nfs/dbraw/zinc/37/60/65/896376065.db2.gz AGYVRYJEAQSRFC-BXKDBHETSA-N -1 3 375.368 3.622 20 0 GHADHM CS[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224566 896481353 /nfs/dbraw/zinc/48/13/53/896481353.db2.gz HXWWHKUFBNIKDB-KGLIPLIRSA-N -1 3 381.505 3.853 20 0 GHADHM CS[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224566 896481358 /nfs/dbraw/zinc/48/13/58/896481358.db2.gz HXWWHKUFBNIKDB-KGLIPLIRSA-N -1 3 381.505 3.853 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000566719932 896521651 /nfs/dbraw/zinc/52/16/51/896521651.db2.gz FQCRBCTTZZNZCQ-LLVKDONJSA-N -1 3 397.846 3.986 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001137168538 896536515 /nfs/dbraw/zinc/53/65/15/896536515.db2.gz HHDQSVAGXMHJFP-UHFFFAOYSA-N -1 3 391.301 3.766 20 0 GHADHM O=c1[n-]nc(SCc2ccc(C(F)(F)F)cn2)n1CCc1ccccc1 ZINC000566811407 896590574 /nfs/dbraw/zinc/59/05/74/896590574.db2.gz RIWMYTLBOGLPON-UHFFFAOYSA-N -1 3 380.395 3.933 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)(C)C)s1 ZINC001185754715 914089240 /nfs/dbraw/zinc/08/92/40/914089240.db2.gz XBMBMOABGRUUHJ-MRXNPFEDSA-N -1 3 381.519 3.909 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H]2C(C)C)cc1 ZINC000826255216 896729948 /nfs/dbraw/zinc/72/99/48/896729948.db2.gz PKYDREYVRQNFSS-SFHVURJKSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H]2C(C)C)cc1 ZINC000826255216 896729972 /nfs/dbraw/zinc/72/99/72/896729972.db2.gz PKYDREYVRQNFSS-SFHVURJKSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264158 896750601 /nfs/dbraw/zinc/75/06/01/896750601.db2.gz DSYPBKBTZFJGIP-OAHLLOKOSA-N -1 3 378.505 3.670 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264158 896750610 /nfs/dbraw/zinc/75/06/10/896750610.db2.gz DSYPBKBTZFJGIP-OAHLLOKOSA-N -1 3 378.505 3.670 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC001137179736 896864523 /nfs/dbraw/zinc/86/45/23/896864523.db2.gz XFMRRUUETUANPD-UHFFFAOYSA-N -1 3 384.461 3.624 20 0 GHADHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c(C)c1 ZINC000826282382 896868120 /nfs/dbraw/zinc/86/81/20/896868120.db2.gz MBWIZYXMMDSLFY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@H]1C[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCO1 ZINC000567374005 897099070 /nfs/dbraw/zinc/09/90/70/897099070.db2.gz GFRQADHDLZVKGF-ONGXEEELSA-N -1 3 390.241 3.567 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1cccs1 ZINC000820269681 897264037 /nfs/dbraw/zinc/26/40/37/897264037.db2.gz NPKWLYWCRCOTNG-JTQLQIEISA-N -1 3 376.873 3.582 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1cccs1 ZINC000820269681 897264053 /nfs/dbraw/zinc/26/40/53/897264053.db2.gz NPKWLYWCRCOTNG-JTQLQIEISA-N -1 3 376.873 3.582 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1cccs1 ZINC000820269682 897264221 /nfs/dbraw/zinc/26/42/21/897264221.db2.gz NPKWLYWCRCOTNG-SNVBAGLBSA-N -1 3 376.873 3.582 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1cccs1 ZINC000820269682 897264236 /nfs/dbraw/zinc/26/42/36/897264236.db2.gz NPKWLYWCRCOTNG-SNVBAGLBSA-N -1 3 376.873 3.582 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348322 897283816 /nfs/dbraw/zinc/28/38/16/897283816.db2.gz BGSMHDMJSNOCPS-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM C[C@H](NC(=O)NC(C)(C)c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348322 897283827 /nfs/dbraw/zinc/28/38/27/897283827.db2.gz BGSMHDMJSNOCPS-LBPRGKRZSA-N -1 3 384.871 3.816 20 0 GHADHM Cc1ccnc(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000826310290 897403250 /nfs/dbraw/zinc/40/32/50/897403250.db2.gz QZYDSWWLFHRZFR-GFCCVEGCSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1ccnc(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1-c1nn[n-]n1 ZINC000826310290 897403261 /nfs/dbraw/zinc/40/32/61/897403261.db2.gz QZYDSWWLFHRZFR-GFCCVEGCSA-N -1 3 391.262 3.535 20 0 GHADHM Cc1ccn(-c2ccccc2CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826308540 897413818 /nfs/dbraw/zinc/41/38/18/897413818.db2.gz DXXNKZAOOJZFOJ-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM Cc1ccn(-c2ccccc2CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826308540 897413832 /nfs/dbraw/zinc/41/38/32/897413832.db2.gz DXXNKZAOOJZFOJ-UHFFFAOYSA-N -1 3 382.431 3.521 20 0 GHADHM COc1cccc(S([O-])=CC(=O)O[C@H](COC(C)C)c2cccc(F)c2)c1 ZINC000820627917 897421902 /nfs/dbraw/zinc/42/19/02/897421902.db2.gz VCLLSFYLFNDEON-XHCCPWGMSA-N -1 3 394.464 3.651 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN(CC(F)(F)F)C[C@H](C)C2)c1C ZINC000567976903 897518610 /nfs/dbraw/zinc/51/86/10/897518610.db2.gz VEYJTLLTIGEPLH-LBPRGKRZSA-N -1 3 395.425 3.870 20 0 GHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)[C@@H](C)C3)c2c1 ZINC000567978465 897518667 /nfs/dbraw/zinc/51/86/67/897518667.db2.gz GIBPZKYTOACAOO-ZDUSSCGKSA-N -1 3 381.398 3.623 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)s1 ZINC000826323403 897589131 /nfs/dbraw/zinc/58/91/31/897589131.db2.gz CPNQUBNKYZDVOQ-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)s1 ZINC000826323403 897589140 /nfs/dbraw/zinc/58/91/40/897589140.db2.gz CPNQUBNKYZDVOQ-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1Br ZINC000826326872 897632992 /nfs/dbraw/zinc/63/29/92/897632992.db2.gz IJYXFTAUGDYFCE-UHFFFAOYSA-N -1 3 397.280 3.626 20 0 GHADHM Cc1nc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1Br ZINC000826326872 897633005 /nfs/dbraw/zinc/63/30/05/897633005.db2.gz IJYXFTAUGDYFCE-UHFFFAOYSA-N -1 3 397.280 3.626 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC001185935893 914178060 /nfs/dbraw/zinc/17/80/60/914178060.db2.gz MLPAVOKWVWWVLR-HNNXBMFYSA-N -1 3 396.921 3.757 20 0 GHADHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001136403101 897661001 /nfs/dbraw/zinc/66/10/01/897661001.db2.gz AVFIIKBHVBBYCS-UHFFFAOYSA-N -1 3 375.407 3.986 20 0 GHADHM Clc1ccc(-n2ccc(NCc3cccc4[nH]ccc43)n2)c(-c2nnn[n-]2)c1 ZINC000826351206 897940481 /nfs/dbraw/zinc/94/04/81/897940481.db2.gz CKDDCTWBWBVALC-UHFFFAOYSA-N -1 3 390.838 3.799 20 0 GHADHM Clc1ccc(-n2ccc(NCc3cccc4[nH]ccc43)n2)c(-c2nn[n-]n2)c1 ZINC000826351206 897940489 /nfs/dbraw/zinc/94/04/89/897940489.db2.gz CKDDCTWBWBVALC-UHFFFAOYSA-N -1 3 390.838 3.799 20 0 GHADHM CCN(CC)[C@@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1Cl ZINC000029185356 898198587 /nfs/dbraw/zinc/19/85/87/898198587.db2.gz SYGIAYKCANOXAW-ZPBCLNFZSA-N -1 3 397.906 3.624 20 0 GHADHM Cc1nc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)sc1C ZINC000822444180 898349866 /nfs/dbraw/zinc/34/98/66/898349866.db2.gz FOGUSNLIEQLGOI-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Cc1nc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)sc1C ZINC000822444180 898349879 /nfs/dbraw/zinc/34/98/79/898349879.db2.gz FOGUSNLIEQLGOI-UHFFFAOYSA-N -1 3 390.472 3.537 20 0 GHADHM Clc1cnc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000822590685 898515289 /nfs/dbraw/zinc/51/52/89/898515289.db2.gz MNKMHNIZUNHCJC-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM Clc1cnc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000822590685 898515298 /nfs/dbraw/zinc/51/52/98/898515298.db2.gz MNKMHNIZUNHCJC-UHFFFAOYSA-N -1 3 379.811 3.633 20 0 GHADHM O=S(=O)(/C=C\c1ccccc1F)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000800053767 898539747 /nfs/dbraw/zinc/53/97/47/898539747.db2.gz LWSBAVOJDFBLGZ-KTKRTIGZSA-N -1 3 393.827 3.619 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC2(CCSCC2)CC1 ZINC000828014440 898627950 /nfs/dbraw/zinc/62/79/50/898627950.db2.gz HHTZHBUJRIJSCB-UHFFFAOYSA-N -1 3 378.444 3.556 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)cc1Cl ZINC001186066567 914269372 /nfs/dbraw/zinc/26/93/72/914269372.db2.gz FLMHNXNVOUBMAK-UHFFFAOYSA-N -1 3 379.869 3.762 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OC[C@@H](F)C(F)(F)F ZINC000800135752 898645986 /nfs/dbraw/zinc/64/59/86/898645986.db2.gz GNMLTOAFLMRJOR-HZPDHXFCSA-N -1 3 399.340 3.697 20 0 GHADHM Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)C2)cc1 ZINC000800198942 898733544 /nfs/dbraw/zinc/73/35/44/898733544.db2.gz AVWVRZFCMQBNLK-ZDUSSCGKSA-N -1 3 399.299 3.773 20 0 GHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000800209399 898745301 /nfs/dbraw/zinc/74/53/01/898745301.db2.gz WXAJXPZGMVOGQK-UONOGXRCSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000800209399 898745311 /nfs/dbraw/zinc/74/53/11/898745311.db2.gz WXAJXPZGMVOGQK-UONOGXRCSA-N -1 3 388.427 3.534 20 0 GHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000800209399 898745316 /nfs/dbraw/zinc/74/53/16/898745316.db2.gz WXAJXPZGMVOGQK-UONOGXRCSA-N -1 3 388.427 3.534 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1csnc1-c1ccccc1 ZINC001186125607 914293597 /nfs/dbraw/zinc/29/35/97/914293597.db2.gz QFMFOPWSMDLHCP-UHFFFAOYSA-N -1 3 381.482 3.837 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C1(c2noc(C)n2)CCCCCC1 ZINC000823199568 898897124 /nfs/dbraw/zinc/89/71/24/898897124.db2.gz YSFOFESRSZEUET-UHFFFAOYSA-N -1 3 379.407 3.844 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823333152 898970174 /nfs/dbraw/zinc/97/01/74/898970174.db2.gz YQRFOMRXMJPTKK-OXQOHEQNSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000823333152 898970191 /nfs/dbraw/zinc/97/01/91/898970191.db2.gz YQRFOMRXMJPTKK-OXQOHEQNSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(-c2cscn2)c1 ZINC000823333017 898970295 /nfs/dbraw/zinc/97/02/95/898970295.db2.gz XBPYZPBRACFMJX-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(-c2cscn2)c1 ZINC000823333017 898970308 /nfs/dbraw/zinc/97/03/08/898970308.db2.gz XBPYZPBRACFMJX-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC4(CCC4)C[C@H]3C)cs2)c1 ZINC000570026865 899079972 /nfs/dbraw/zinc/07/99/72/899079972.db2.gz GECNAVKWERVZHF-CQSZACIVSA-N -1 3 399.516 3.743 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2sc(-c3cnn(C)c3)nc2C)c(F)c1 ZINC000570068564 899099613 /nfs/dbraw/zinc/09/96/13/899099613.db2.gz FMLISQRNDGFFES-UHFFFAOYSA-N -1 3 376.388 3.585 20 0 GHADHM C[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646198454 914317631 /nfs/dbraw/zinc/31/76/31/914317631.db2.gz INVRQUKVUSRJOB-WDEREUQCSA-N -1 3 387.823 3.580 20 0 GHADHM CC(C)Sc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646199409 914318203 /nfs/dbraw/zinc/31/82/03/914318203.db2.gz UWKSGPODNXDLTQ-ZIAGYGMSSA-N -1 3 387.505 3.681 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000115159445 899164683 /nfs/dbraw/zinc/16/46/83/899164683.db2.gz GIUCMBAQJRPOJP-UHFFFAOYSA-N -1 3 376.456 3.597 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)ccc21 ZINC000133882911 899196453 /nfs/dbraw/zinc/19/64/53/899196453.db2.gz LYYGFERRCCHUBH-UHFFFAOYSA-N -1 3 395.419 3.615 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2F)no1 ZINC000570309884 899254650 /nfs/dbraw/zinc/25/46/50/899254650.db2.gz RWEUKMUELRVAJC-VIFPVBQESA-N -1 3 399.806 3.708 20 0 GHADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1cccs1 ZINC000824045096 899359139 /nfs/dbraw/zinc/35/91/39/899359139.db2.gz GERWSWMMYWWNCE-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cccs1 ZINC000824047167 899360605 /nfs/dbraw/zinc/36/06/05/899360605.db2.gz YOGRXKOFWFHFFJ-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cccs1 ZINC000824047167 899360619 /nfs/dbraw/zinc/36/06/19/899360619.db2.gz YOGRXKOFWFHFFJ-SNVBAGLBSA-N -1 3 399.867 3.510 20 0 GHADHM CC[C@@H](C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccc(Br)cc1 ZINC000824151246 899428432 /nfs/dbraw/zinc/42/84/32/899428432.db2.gz WSRDVJVHEUGTKW-CQSZACIVSA-N -1 3 392.297 3.798 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000824154297 899430811 /nfs/dbraw/zinc/43/08/11/899430811.db2.gz MKXWZUAYPBTCPY-QGZVFWFLSA-N -1 3 385.508 3.653 20 0 GHADHM C[C@](O)(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC001136830977 899437290 /nfs/dbraw/zinc/43/72/90/899437290.db2.gz SRKDDPVNMCOZAB-DEOSSOPVSA-N -1 3 375.468 3.815 20 0 GHADHM C[C@H](NC(=O)CCc1ccoc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480515 899626891 /nfs/dbraw/zinc/62/68/91/899626891.db2.gz XQNJGTLJSZOADH-HNNXBMFYSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@H](NC(=O)CCc1ccoc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480515 899626894 /nfs/dbraw/zinc/62/68/94/899626894.db2.gz XQNJGTLJSZOADH-HNNXBMFYSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@@H](NC(=O)CCOCC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480577 899627110 /nfs/dbraw/zinc/62/71/10/899627110.db2.gz YVMHGDCWPOZJLA-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)CCOCC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480577 899627115 /nfs/dbraw/zinc/62/71/15/899627115.db2.gz YVMHGDCWPOZJLA-OAHLLOKOSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)NCCC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824498875 899668351 /nfs/dbraw/zinc/66/83/51/899668351.db2.gz LKCRWRPUALIUAJ-CQSZACIVSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@@H](NC(=O)NCCC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824498875 899668361 /nfs/dbraw/zinc/66/83/61/899668361.db2.gz LKCRWRPUALIUAJ-CQSZACIVSA-N -1 3 376.464 3.694 20 0 GHADHM C[C@H](Nc1ccnc(N(C)C)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824662958 899751306 /nfs/dbraw/zinc/75/13/06/899751306.db2.gz TXZMQPGYBQYINC-AWEZNQCLSA-N -1 3 386.463 3.563 20 0 GHADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000571163639 899764316 /nfs/dbraw/zinc/76/43/16/899764316.db2.gz GBPWQSMWZCNQGN-ONGXEEELSA-N -1 3 395.684 3.720 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824707121 899778291 /nfs/dbraw/zinc/77/82/91/899778291.db2.gz NSXSDODAQIBMPT-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824707121 899778297 /nfs/dbraw/zinc/77/82/97/899778297.db2.gz NSXSDODAQIBMPT-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714076 899783072 /nfs/dbraw/zinc/78/30/72/899783072.db2.gz MHHSMOURRKEPOU-NSHDSACASA-N -1 3 391.353 3.602 20 0 GHADHM C[C@H](OC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714076 899783084 /nfs/dbraw/zinc/78/30/84/899783084.db2.gz MHHSMOURRKEPOU-NSHDSACASA-N -1 3 391.353 3.602 20 0 GHADHM CC1=C(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CCCO1 ZINC000824853128 899839470 /nfs/dbraw/zinc/83/94/70/899839470.db2.gz WHPOOJNCHUQIJM-CQSZACIVSA-N -1 3 389.459 3.795 20 0 GHADHM CC1=C(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CCCO1 ZINC000824853128 899839479 /nfs/dbraw/zinc/83/94/79/899839479.db2.gz WHPOOJNCHUQIJM-CQSZACIVSA-N -1 3 389.459 3.795 20 0 GHADHM CC1=CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000824852269 899839607 /nfs/dbraw/zinc/83/96/07/899839607.db2.gz JAOFEXPOYKANAV-MRXNPFEDSA-N -1 3 388.475 3.956 20 0 GHADHM CC1=CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824852269 899839611 /nfs/dbraw/zinc/83/96/11/899839611.db2.gz JAOFEXPOYKANAV-MRXNPFEDSA-N -1 3 388.475 3.956 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1=O ZINC000824867776 899844764 /nfs/dbraw/zinc/84/47/64/899844764.db2.gz RIQCDWFAKATCAY-DZGCQCFKSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1=O ZINC000824867776 899844777 /nfs/dbraw/zinc/84/47/77/899844777.db2.gz RIQCDWFAKATCAY-DZGCQCFKSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@@H](NC(=O)NC1CC(C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824894274 899864804 /nfs/dbraw/zinc/86/48/04/899864804.db2.gz XLIUQBSQBBWLCE-SHYRYGCCSA-N -1 3 376.464 3.692 20 0 GHADHM C[C@@H](NC(=O)NC1CC(C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824894274 899864807 /nfs/dbraw/zinc/86/48/07/899864807.db2.gz XLIUQBSQBBWLCE-SHYRYGCCSA-N -1 3 376.464 3.692 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc(OC)c1[O-] ZINC000571475059 899878895 /nfs/dbraw/zinc/87/88/95/899878895.db2.gz KIVNWRULUNASGL-MOPGFXCFSA-N -1 3 385.460 3.728 20 0 GHADHM CO[C@H](CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(Cl)cc1 ZINC001136990542 899975928 /nfs/dbraw/zinc/97/59/28/899975928.db2.gz ZLJAJKVSICNPMH-MRXNPFEDSA-N -1 3 392.789 3.577 20 0 GHADHM CC[C@H]1C[C@@H](OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184347 900015589 /nfs/dbraw/zinc/01/55/89/900015589.db2.gz SGHNLVVILXOVTQ-GJZGRUSLSA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@H]1C[C@@H](OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184347 900015599 /nfs/dbraw/zinc/01/55/99/900015599.db2.gz SGHNLVVILXOVTQ-GJZGRUSLSA-N -1 3 394.431 3.773 20 0 GHADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000572067075 900051944 /nfs/dbraw/zinc/05/19/44/900051944.db2.gz OQBSKVPKPHJFFU-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM CCCCC[C@@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825267982 900060598 /nfs/dbraw/zinc/06/05/98/900060598.db2.gz PIYKOWSKTFJUPG-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825267982 900060604 /nfs/dbraw/zinc/06/06/04/900060604.db2.gz PIYKOWSKTFJUPG-CYBMUJFWSA-N -1 3 384.440 3.566 20 0 GHADHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000572094011 900069634 /nfs/dbraw/zinc/06/96/34/900069634.db2.gz WJOXWJXFGBEARS-VIFPVBQESA-N -1 3 383.388 3.695 20 0 GHADHM O=C(C=Cc1ccccc1OC(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825297894 900077192 /nfs/dbraw/zinc/07/71/92/900077192.db2.gz HARMVDMINVOWOD-HJWRWDBZSA-N -1 3 393.365 3.678 20 0 GHADHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1OC(F)(F)F ZINC000825304760 900082062 /nfs/dbraw/zinc/08/20/62/900082062.db2.gz IRUYFICNARXZNV-UHFFFAOYSA-N -1 3 381.354 3.587 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H](Cc1cccnc1)C1CCCC1 ZINC000884608185 900193332 /nfs/dbraw/zinc/19/33/32/900193332.db2.gz MPMZWRNYMPKYKV-GOSISDBHSA-N -1 3 393.443 3.930 20 0 GHADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CCO1 ZINC000135326753 900224576 /nfs/dbraw/zinc/22/45/76/900224576.db2.gz FEVHNZWTZQIXDN-INIZCTEOSA-N -1 3 382.485 3.866 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N(Cc1ccccc1)C1CC1 ZINC000826421107 900228128 /nfs/dbraw/zinc/22/81/28/900228128.db2.gz SAXBZWSZEVBZKS-UHFFFAOYSA-N -1 3 399.907 3.803 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N(Cc1ccccc1)C1CC1 ZINC000826421107 900228149 /nfs/dbraw/zinc/22/81/49/900228149.db2.gz SAXBZWSZEVBZKS-UHFFFAOYSA-N -1 3 399.907 3.803 20 0 GHADHM CCCc1ccc(CCCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000843875825 900276132 /nfs/dbraw/zinc/27/61/32/900276132.db2.gz CIVPLMZVZTVAOB-UHFFFAOYSA-N -1 3 398.469 3.879 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1[O-] ZINC000843887212 900290145 /nfs/dbraw/zinc/29/01/45/900290145.db2.gz VCXKKOVJKGOFKE-KRWDZBQOSA-N -1 3 398.459 3.842 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1([C@H]2CCNc3ccccc32)CC1 ZINC000885117768 900385844 /nfs/dbraw/zinc/38/58/44/900385844.db2.gz XOQOKXSIRIKQNN-INIZCTEOSA-N -1 3 391.427 3.865 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000885150433 900390446 /nfs/dbraw/zinc/39/04/46/900390446.db2.gz WHFCURDFKBYYOZ-SSDOTTSWSA-N -1 3 385.820 3.558 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC001143703249 900408994 /nfs/dbraw/zinc/40/89/94/900408994.db2.gz ZABYLZAHCBMDBQ-UHFFFAOYSA-N -1 3 383.455 3.705 20 0 GHADHM O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001143703249 900409002 /nfs/dbraw/zinc/40/90/02/900409002.db2.gz ZABYLZAHCBMDBQ-UHFFFAOYSA-N -1 3 383.455 3.705 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@H](CC1CCC1)c1ccccc1 ZINC000826441747 900461672 /nfs/dbraw/zinc/46/16/72/900461672.db2.gz SFPQCCQWTGMMAT-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@H](CC1CCC1)c1ccccc1 ZINC000826441747 900461677 /nfs/dbraw/zinc/46/16/77/900461677.db2.gz SFPQCCQWTGMMAT-LJQANCHMSA-N -1 3 394.454 3.737 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1[O-] ZINC000844149506 900556716 /nfs/dbraw/zinc/55/67/16/900556716.db2.gz QLZVGSCRRGIIET-UHFFFAOYSA-N -1 3 398.459 3.550 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826456520 900653421 /nfs/dbraw/zinc/65/34/21/900653421.db2.gz JCJGTIRZKQKZSE-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826456520 900653425 /nfs/dbraw/zinc/65/34/25/900653425.db2.gz JCJGTIRZKQKZSE-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@]3(C)C[C@]3(F)Cl)cc2)cc(=O)[n-]1 ZINC000844508285 900912781 /nfs/dbraw/zinc/91/27/81/900912781.db2.gz ACXDXIJTEFIHLG-QZTJIDSGSA-N -1 3 378.835 3.984 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccc1Cl ZINC001144145589 901124265 /nfs/dbraw/zinc/12/42/65/901124265.db2.gz BUQOQHNJVIUIDM-UHFFFAOYSA-N -1 3 391.210 3.874 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc(Cl)c1OC ZINC000844671075 901160407 /nfs/dbraw/zinc/16/04/07/901160407.db2.gz YIKOIEYJJQICPX-UHFFFAOYSA-N -1 3 383.853 3.699 20 0 GHADHM CCCCNC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000575766819 901285745 /nfs/dbraw/zinc/28/57/45/901285745.db2.gz GPMHYXXUNBAIPR-UHFFFAOYSA-N -1 3 391.493 3.726 20 0 GHADHM c1c2ccccc2oc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000826515593 901382857 /nfs/dbraw/zinc/38/28/57/901382857.db2.gz DJNSVACEUNUJKZ-NRFANRHFSA-N -1 3 382.427 3.887 20 0 GHADHM CCCCO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(C)C ZINC001137234285 901393905 /nfs/dbraw/zinc/39/39/05/901393905.db2.gz ITJRYWRUBGWSJE-IRXDYDNUSA-N -1 3 392.446 3.862 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1cccs1)C(C)(C)CO ZINC000575957049 901516829 /nfs/dbraw/zinc/51/68/29/901516829.db2.gz NMHJQCGLFFCFQE-INIZCTEOSA-N -1 3 397.493 3.980 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCOc2cc(Cl)cc(Cl)c2)n1 ZINC001144392601 901960389 /nfs/dbraw/zinc/96/03/89/901960389.db2.gz IOLGRJIJGQHBJN-UHFFFAOYSA-N -1 3 384.263 3.618 20 0 GHADHM CCc1nc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)sc1C ZINC000845323758 902042048 /nfs/dbraw/zinc/04/20/48/902042048.db2.gz ICOIXCBPTXTQKU-UHFFFAOYSA-N -1 3 395.531 3.699 20 0 GHADHM CCC(CC)(C(=O)OCc1noc(-c2ccccc2[O-])n1)C(=O)OC(C)(C)C ZINC000845428925 902141831 /nfs/dbraw/zinc/14/18/31/902141831.db2.gz RVVOBQDYFRTHCL-UHFFFAOYSA-N -1 3 390.436 3.634 20 0 GHADHM CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126263732 902303352 /nfs/dbraw/zinc/30/33/52/902303352.db2.gz FWBKXOQBXBXHBA-OAHLLOKOSA-N -1 3 378.270 3.842 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)n1 ZINC001144548242 902358543 /nfs/dbraw/zinc/35/85/43/902358543.db2.gz CFWPSLRMEDLCSQ-LJQANCHMSA-N -1 3 383.835 3.581 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](c1ccccn1)C(C)C ZINC000845862083 902466437 /nfs/dbraw/zinc/46/64/37/902466437.db2.gz LXRKNCRDHKZLGC-ZDUSSCGKSA-N -1 3 389.340 3.890 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001144616290 902509288 /nfs/dbraw/zinc/50/92/88/902509288.db2.gz HFQWBJXRMSCHGS-SFHVURJKSA-N -1 3 384.451 3.710 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C2 ZINC001144633493 902540487 /nfs/dbraw/zinc/54/04/87/902540487.db2.gz YLXCJYRQIJXWIO-MUJYYYPQSA-N -1 3 392.471 3.511 20 0 GHADHM CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144651349 902559303 /nfs/dbraw/zinc/55/93/03/902559303.db2.gz NNIIKQQAMDPIIU-MRXNPFEDSA-N -1 3 392.446 3.519 20 0 GHADHM C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290358323 914641443 /nfs/dbraw/zinc/64/14/43/914641443.db2.gz MAKLFISZXTWBPA-WBVHZDCISA-N -1 3 384.442 3.563 20 0 GHADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1 ZINC000577311021 902668511 /nfs/dbraw/zinc/66/85/11/902668511.db2.gz XLLYUERZTWYMNC-UHFFFAOYSA-N -1 3 378.432 3.539 20 0 GHADHM Cc1nc(C)c(CC(=O)NCc2cccc(Oc3ccccc3F)c2)c(=O)[n-]1 ZINC001144783284 902904554 /nfs/dbraw/zinc/90/45/54/902904554.db2.gz OLVWCEFIBOUUPX-UHFFFAOYSA-N -1 3 381.407 3.589 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F ZINC000303335727 914682694 /nfs/dbraw/zinc/68/26/94/914682694.db2.gz XWPXEHICRHEKNP-KBPBESRZSA-N -1 3 396.459 3.688 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000846589790 903073622 /nfs/dbraw/zinc/07/36/22/903073622.db2.gz SPRYHMLTZALSRE-UHFFFAOYSA-N -1 3 376.497 3.722 20 0 GHADHM Cc1ccc2sc(C[S@](=O)Cc3nc(C(F)(F)F)cc(=O)[n-]3)nc2c1 ZINC000600907878 903081212 /nfs/dbraw/zinc/08/12/12/903081212.db2.gz YSQPOMOJVFTCJB-RUZDIDTESA-N -1 3 387.408 3.568 20 0 GHADHM CC(C)[C@@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290460390 914691105 /nfs/dbraw/zinc/69/11/05/914691105.db2.gz VHEYEQLTBNAOJP-NVXWUHKLSA-N -1 3 384.442 3.733 20 0 GHADHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264658484 903290546 /nfs/dbraw/zinc/29/05/46/903290546.db2.gz CTRXEVDGMBMRQT-AWEZNQCLSA-N -1 3 387.480 3.610 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000578156343 903572731 /nfs/dbraw/zinc/57/27/31/903572731.db2.gz QGJWCQRIOCXXRR-KDOFPFPSSA-N -1 3 387.277 3.551 20 0 GHADHM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646636222 914741656 /nfs/dbraw/zinc/74/16/56/914741656.db2.gz YMNMRYISJMDTKD-UHFFFAOYSA-N -1 3 380.366 3.739 20 0 GHADHM CCCn1c(C)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2cc(OC)ccc21 ZINC000128112330 903861540 /nfs/dbraw/zinc/86/15/40/903861540.db2.gz DNZRRDSVWIXSEX-UHFFFAOYSA-N -1 3 381.358 3.758 20 0 GHADHM CCCn1c(C)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2cc(OC)ccc21 ZINC000128112330 903861550 /nfs/dbraw/zinc/86/15/50/903861550.db2.gz DNZRRDSVWIXSEX-UHFFFAOYSA-N -1 3 381.358 3.758 20 0 GHADHM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000578460233 903863833 /nfs/dbraw/zinc/86/38/33/903863833.db2.gz AFCPFYKRLYPSJB-UHFFFAOYSA-N -1 3 384.379 3.676 20 0 GHADHM O=C([N-]N1Cc2ccc(Br)cc2C1=O)c1cccc(F)c1Cl ZINC001147872417 903901875 /nfs/dbraw/zinc/90/18/75/903901875.db2.gz GGRJKCBZZKQPKB-UHFFFAOYSA-N -1 3 383.604 3.542 20 0 GHADHM CCCOc1cncc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001147913121 903918921 /nfs/dbraw/zinc/91/89/21/903918921.db2.gz XNNLZXUQIGKWDP-UHFFFAOYSA-N -1 3 378.454 3.926 20 0 GHADHM O=C(CCc1nccc2c3ccccc3[nH]c21)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001186753795 914766412 /nfs/dbraw/zinc/76/64/12/914766412.db2.gz XIZAEFXNAKFUIR-UHFFFAOYSA-N -1 3 399.410 3.642 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC001148112607 903977836 /nfs/dbraw/zinc/97/78/36/903977836.db2.gz ILFGUAQSZARXRC-JTSKRJEESA-N -1 3 394.471 3.723 20 0 GHADHM O=C(NC12CCC(CC1)CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000578599375 903999906 /nfs/dbraw/zinc/99/99/06/903999906.db2.gz MIXWIWVRILENOF-UHFFFAOYSA-N -1 3 375.266 3.743 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001148233443 904012390 /nfs/dbraw/zinc/01/23/90/904012390.db2.gz QNSLPZSVOPOMGR-INIZCTEOSA-N -1 3 394.924 3.805 20 0 GHADHM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCO1 ZINC001148548190 904106197 /nfs/dbraw/zinc/10/61/97/904106197.db2.gz WQTZJXSZVXWWGO-GOSISDBHSA-N -1 3 382.847 3.704 20 0 GHADHM COC(=O)Nc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(C(F)(F)F)c1 ZINC000159804265 904129111 /nfs/dbraw/zinc/12/91/11/904129111.db2.gz DXFBOPZWBPOHQD-UHFFFAOYSA-N -1 3 386.301 3.658 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000159808122 904132327 /nfs/dbraw/zinc/13/23/27/904132327.db2.gz NKLPYZFTFJDZJJ-HNNXBMFYSA-N -1 3 385.251 3.818 20 0 GHADHM O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000646701525 914788253 /nfs/dbraw/zinc/78/82/53/914788253.db2.gz IOCUTWAGEZPLDC-KZULUSFZSA-N -1 3 381.350 3.760 20 0 GHADHM COC(=O)c1cc(F)c([N-]C(=O)c2cc(F)c(F)c(OC)c2F)c(C)c1F ZINC001148785520 904190505 /nfs/dbraw/zinc/19/05/05/904190505.db2.gz DOQHAMQCFYGWHS-UHFFFAOYSA-N -1 3 389.276 3.738 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001148959350 904258623 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O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)[N-]OC[C@H]1CCOC1 ZINC000187968774 904856962 /nfs/dbraw/zinc/85/69/62/904856962.db2.gz WBJILQXRZUHCGT-HNNXBMFYSA-N -1 3 382.435 3.991 20 0 GHADHM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646804351 914858577 /nfs/dbraw/zinc/85/85/77/914858577.db2.gz CUAOPPZTEPZNMW-LBPRGKRZSA-N -1 3 382.386 3.603 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001171914542 905144584 /nfs/dbraw/zinc/14/45/84/905144584.db2.gz DKPMIYKYHPUPCX-JRBZFYFNSA-N -1 3 394.437 3.868 20 0 GHADHM CC(C)c1cc(Cl)ccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000626841083 905295063 /nfs/dbraw/zinc/29/50/63/905295063.db2.gz INMBBVFHXSJSRQ-UHFFFAOYSA-N -1 3 375.856 3.721 20 0 GHADHM COc1cc2[n-]cc(C(=O)N[C@H]3C[C@H](c4ccccc4C)C3)c(=O)c2c(OC)c1 ZINC000626850558 905295736 /nfs/dbraw/zinc/29/57/36/905295736.db2.gz GRHXPHJRGMYBNS-SHTZXODSSA-N -1 3 392.455 3.530 20 0 GHADHM O=C([N-]c1cc(Cl)nc(Cl)c1)c1sccc1S(=O)(=O)C(F)F ZINC000189881325 905358474 /nfs/dbraw/zinc/35/84/74/905358474.db2.gz OEQQCGROYPYJOB-UHFFFAOYSA-N -1 3 387.216 3.699 20 0 GHADHM Cc1cccc(C(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c2cccc(C)c2)c1 ZINC000175254658 905494213 /nfs/dbraw/zinc/49/42/13/905494213.db2.gz AIBMODQZVGLDBW-UHFFFAOYSA-N -1 3 389.499 3.842 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CO ZINC000627572151 905623003 /nfs/dbraw/zinc/62/30/03/905623003.db2.gz UTHBHQYOYMLLSF-NSHDSACASA-N -1 3 393.365 3.875 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000175716880 905644297 /nfs/dbraw/zinc/64/42/97/905644297.db2.gz GTGMSDZZAGMDCL-TZMCWYRMSA-N -1 3 375.900 3.623 20 0 GHADHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1O ZINC000175767921 905662578 /nfs/dbraw/zinc/66/25/78/905662578.db2.gz FERVVAHOQVCZPV-UHFFFAOYSA-N -1 3 388.851 3.551 20 0 GHADHM Cc1nc(C)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000175768622 905662714 /nfs/dbraw/zinc/66/27/14/905662714.db2.gz TYUJFUVDXMKTCU-UHFFFAOYSA-N -1 3 393.896 3.610 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C)c2ccccc2F)cc1 ZINC000779272137 905968864 /nfs/dbraw/zinc/96/88/64/905968864.db2.gz BMPRNODXQJJUBO-AWEZNQCLSA-N -1 3 395.452 3.659 20 0 GHADHM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000901524234 921202051 /nfs/dbraw/zinc/20/20/51/921202051.db2.gz JTKIKAFDAQUXFL-CYBMUJFWSA-N -1 3 386.452 3.681 20 0 GHADHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190654084 906209317 /nfs/dbraw/zinc/20/93/17/906209317.db2.gz BMCAOKWEMLSWTH-OAHLLOKOSA-N -1 3 381.388 3.688 20 0 GHADHM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629217679 906597958 /nfs/dbraw/zinc/59/79/58/906597958.db2.gz KBJIFEORNOOXAX-NWDGAFQWSA-N -1 3 385.493 3.702 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629217677 906598061 /nfs/dbraw/zinc/59/80/61/906598061.db2.gz KBJIFEORNOOXAX-NEPJUHHUSA-N -1 3 385.493 3.702 20 0 GHADHM CCC(=O)N1CC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000179933561 906637952 /nfs/dbraw/zinc/63/79/52/906637952.db2.gz JSKNKHXNDBLANV-CYBMUJFWSA-N -1 3 395.484 3.866 20 0 GHADHM CC(C)Cn1ncc([N-]S(=O)(=O)CCc2c(F)cccc2F)c1C(C)C ZINC000629297022 906686097 /nfs/dbraw/zinc/68/60/97/906686097.db2.gz RNTOKHZYAFUBMK-UHFFFAOYSA-N -1 3 385.480 3.925 20 0 GHADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc2[nH]cc(C)c2c1 ZINC000629313859 906695523 /nfs/dbraw/zinc/69/55/23/906695523.db2.gz ATGQSZBMYBGQFJ-KRWDZBQOSA-N -1 3 376.453 3.615 20 0 GHADHM COCCOCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000629328399 906710966 /nfs/dbraw/zinc/71/09/66/906710966.db2.gz WGTDCXSPJFGJIY-UHFFFAOYSA-N -1 3 393.505 3.746 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1 ZINC000629333627 906718644 /nfs/dbraw/zinc/71/86/44/906718644.db2.gz ZCEAASMKXDIXGJ-CQSZACIVSA-N -1 3 388.489 3.745 20 0 GHADHM CCSc1ccc(CN(CC(=O)[O-])C2CCOCC2)c(Br)c1 ZINC000629364089 906735145 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GHADHM CCOc1n[n-]c(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)n1 ZINC001174744747 907204903 /nfs/dbraw/zinc/20/49/03/907204903.db2.gz JBRGDJJVJHIWSX-UHFFFAOYSA-N -1 3 382.207 3.726 20 0 GHADHM Cc1nc(CCCNCc2ccsc2Br)sc1C(=O)[O-] ZINC000630450773 907286434 /nfs/dbraw/zinc/28/64/34/907286434.db2.gz IMFXTXOJYJCEQI-UHFFFAOYSA-N -1 3 375.313 3.696 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(C)C)c1 ZINC000183151153 907337472 /nfs/dbraw/zinc/33/74/72/907337472.db2.gz BBJRDYANICVOOE-MRXNPFEDSA-N -1 3 385.464 3.982 20 0 GHADHM CCOC(=O)c1cc(Nc2c(F)ccc([O-])c2F)n(-c2ccc(F)cc2)n1 ZINC001175264532 907476002 /nfs/dbraw/zinc/47/60/02/907476002.db2.gz WEOYVTDLDQYKJC-UHFFFAOYSA-N -1 3 377.322 3.916 20 0 GHADHM Cc1ccc(Nc2cc(S(=O)(=O)c3ccc(O)c(N)c3)ccc2[O-])c(F)c1 ZINC001175325161 907502914 /nfs/dbraw/zinc/50/29/14/907502914.db2.gz MTQSZMOZYHWROM-UHFFFAOYSA-N -1 3 388.420 3.704 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001175429578 907548261 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3.767 20 0 GHADHM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001176987721 908347624 /nfs/dbraw/zinc/34/76/24/908347624.db2.gz DEJNBPZLMOYESB-GOSISDBHSA-N -1 3 376.859 3.856 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccco2)c([O-])c1 ZINC001177628974 908682310 /nfs/dbraw/zinc/68/23/10/908682310.db2.gz ROWIUVYLKYUVGF-KRWDZBQOSA-N -1 3 386.448 3.544 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177649745 908700327 /nfs/dbraw/zinc/70/03/27/908700327.db2.gz UJAPPSXZPMZHCB-SNVBAGLBSA-N -1 3 380.275 3.861 20 0 GHADHM COc1cc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)ccc1OCc1ccncc1 ZINC000192726194 908817756 /nfs/dbraw/zinc/81/77/56/908817756.db2.gz HEAGXSWKGMOQCK-HOTGVXAUSA-N -1 3 394.475 3.885 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266195301 909032505 /nfs/dbraw/zinc/03/25/05/909032505.db2.gz FZASMFWRKKNRGD-GDBMZVCRSA-N -1 3 399.491 3.754 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001178534446 909093254 /nfs/dbraw/zinc/09/32/54/909093254.db2.gz BOFOISWJDIRLBX-UHFFFAOYSA-N -1 3 390.480 3.959 20 0 GHADHM COc1ccc(OCc2nc(CNC3(CC(=O)[O-])CCCC3)cs2)cc1 ZINC000901686277 921472857 /nfs/dbraw/zinc/47/28/57/921472857.db2.gz DBQXRLCJXJBFOP-UHFFFAOYSA-N -1 3 376.478 3.608 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC(C)C)n3ccnc3)c2)n1 ZINC000635348930 909217357 /nfs/dbraw/zinc/21/73/57/909217357.db2.gz UYFZSNBJINFXPH-SFHVURJKSA-N -1 3 379.464 3.834 20 0 GHADHM CCOC(=O)c1n[nH]c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC001179101088 909371413 /nfs/dbraw/zinc/37/14/13/909371413.db2.gz SIJWNKKJTZUCSV-UHFFFAOYSA-N -1 3 381.388 3.645 20 0 GHADHM CCOC(=O)c1[nH]nc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC001179101088 909371414 /nfs/dbraw/zinc/37/14/14/909371414.db2.gz SIJWNKKJTZUCSV-UHFFFAOYSA-N -1 3 381.388 3.645 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2csc3ccc(Cl)cc23)n1 ZINC000636112516 909432562 /nfs/dbraw/zinc/43/25/62/909432562.db2.gz YKBBDKIFKLWFDA-UHFFFAOYSA-N -1 3 375.881 3.953 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)n1 ZINC000636112476 909432875 /nfs/dbraw/zinc/43/28/75/909432875.db2.gz XYBJHCDXMIBMTA-UHFFFAOYSA-N -1 3 381.398 3.996 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)n1 ZINC000636113870 909432891 /nfs/dbraw/zinc/43/28/91/909432891.db2.gz HAXDTSOQBMMEBT-UHFFFAOYSA-N -1 3 380.423 3.720 20 0 GHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2sc(C)cc2Br)s1 ZINC000267441194 909500385 /nfs/dbraw/zinc/50/03/85/909500385.db2.gz CCTNDGBHVOUZOL-MRVPVSSYSA-N -1 3 381.342 3.623 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318246 909535813 /nfs/dbraw/zinc/53/58/13/909535813.db2.gz RMUITRPDDQMEQU-UHFFFAOYSA-N -1 3 377.444 3.959 20 0 GHADHM Cc1c(Br)ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1F ZINC000636320522 909541940 /nfs/dbraw/zinc/54/19/40/909541940.db2.gz GPYIHROSHKTECM-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000636354920 909557977 /nfs/dbraw/zinc/55/79/77/909557977.db2.gz WLAMLQHIZKQUJA-CYBMUJFWSA-N -1 3 386.502 3.998 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)[C@H](C)C1CC1 ZINC000636649862 909615825 /nfs/dbraw/zinc/61/58/25/909615825.db2.gz LEJYJWDARCMSSU-CQSZACIVSA-N -1 3 390.480 3.805 20 0 GHADHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)Nc1ccccc1-c1nnn[n-]1 ZINC001179799020 909738400 /nfs/dbraw/zinc/73/84/00/909738400.db2.gz AHPUYUXZXPFTAB-SOFGYWHQSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)Nc1ccccc1-c1nn[n-]n1 ZINC001179799020 909738412 /nfs/dbraw/zinc/73/84/12/909738412.db2.gz AHPUYUXZXPFTAB-SOFGYWHQSA-N -1 3 377.301 3.677 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2cc(F)cc(F)c2F)c([O-])c1 ZINC001179843493 909763719 /nfs/dbraw/zinc/76/37/19/909763719.db2.gz KFYHVNZQTLMYOF-UHFFFAOYSA-N -1 3 381.350 3.946 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000637376228 909797795 /nfs/dbraw/zinc/79/77/95/909797795.db2.gz JEOYZDBIVQPDRV-KGYLQXTDSA-N -1 3 390.192 3.699 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(Cl)c3ncccc23)c([O-])c(OC)c1 ZINC001179884215 909806234 /nfs/dbraw/zinc/80/62/34/909806234.db2.gz SAODRXPEZZDOKX-UHFFFAOYSA-N -1 3 386.791 3.641 20 0 GHADHM O=C(Cc1coc2ccccc12)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954185 909864611 /nfs/dbraw/zinc/86/46/11/909864611.db2.gz IGGLGBWLBFEYDE-UHFFFAOYSA-N -1 3 375.384 3.694 20 0 GHADHM O=C(Cc1coc2ccccc12)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954185 909864617 /nfs/dbraw/zinc/86/46/17/909864617.db2.gz IGGLGBWLBFEYDE-UHFFFAOYSA-N -1 3 375.384 3.694 20 0 GHADHM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000795379426 910111151 /nfs/dbraw/zinc/11/11/51/910111151.db2.gz IJVUSCFUTRNMMR-SECBINFHSA-N -1 3 379.331 3.578 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOC2(CCSCC2)C1)c1c(Cl)cccc1Cl ZINC000269327628 910218718 /nfs/dbraw/zinc/21/87/18/910218718.db2.gz LNBXFDORFPPZAU-LLVKDONJSA-N -1 3 396.361 3.717 20 0 GHADHM CCOC(=O)C[C@H]1CCN(C(=O)c2[n-]cnc2C(F)(F)F)c2ccccc21 ZINC001180567074 910241759 /nfs/dbraw/zinc/24/17/59/910241759.db2.gz BVCSJWJBQPGNEV-LLVKDONJSA-N -1 3 381.354 3.516 20 0 GHADHM CCOC(=O)C[C@H]1CCN(C(=O)c2nc[n-]c2C(F)(F)F)c2ccccc21 ZINC001180567074 910241775 /nfs/dbraw/zinc/24/17/75/910241775.db2.gz BVCSJWJBQPGNEV-LLVKDONJSA-N -1 3 381.354 3.516 20 0 GHADHM CCCOc1ccc([C@H](O)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001180838456 910372020 /nfs/dbraw/zinc/37/20/20/910372020.db2.gz WYLHCEWPXVXQHN-INIZCTEOSA-N -1 3 380.238 3.616 20 0 GHADHM COc1ccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c(C)c1OC ZINC001180843004 910374288 /nfs/dbraw/zinc/37/42/88/910374288.db2.gz KCMXAPBAIFIAJW-UHFFFAOYSA-N -1 3 398.488 3.983 20 0 GHADHM Cc1nc(C2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)sc1C(=O)[O-] ZINC000901798727 921577847 /nfs/dbraw/zinc/57/78/47/921577847.db2.gz UKADNTTUVPSGDQ-UHFFFAOYSA-N -1 3 396.516 3.930 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2nc(C3CCC3)no2)CC1 ZINC000639522279 910483085 /nfs/dbraw/zinc/48/30/85/910483085.db2.gz GNRPENKCGJFXJV-UHFFFAOYSA-N -1 3 390.871 3.547 20 0 GHADHM CCNC(=O)N(C)c1cccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000795475455 910569354 /nfs/dbraw/zinc/56/93/54/910569354.db2.gz DGYNHICWGNSHKU-UHFFFAOYSA-N -1 3 381.432 3.585 20 0 GHADHM COc1ccc(OCc2nc(CN[C@]3(C)CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000901819581 921592516 /nfs/dbraw/zinc/59/25/16/921592516.db2.gz DICNDVWPTGLDBG-YLJYHZDGSA-N -1 3 390.505 3.854 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN[C@@]1(CC(=O)[O-])CCOC1 ZINC000901838855 921623460 /nfs/dbraw/zinc/62/34/60/921623460.db2.gz VVDCPCYSBRXZNL-HXUWFJFHSA-N -1 3 391.899 3.547 20 0 GHADHM O=C(Nc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl)c1ccco1 ZINC000274179417 911252246 /nfs/dbraw/zinc/25/22/46/911252246.db2.gz KAKFTNNJZADMBK-OAHLLOKOSA-N -1 3 379.800 3.765 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000274179417 911252263 /nfs/dbraw/zinc/25/22/63/911252263.db2.gz KAKFTNNJZADMBK-OAHLLOKOSA-N -1 3 379.800 3.765 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)ns2)nc1-c1ccccc1 ZINC001182261268 911394440 /nfs/dbraw/zinc/39/44/40/911394440.db2.gz HUGOMVZEEJCFBU-UHFFFAOYSA-N -1 3 389.458 3.704 20 0 GHADHM C[C@@H](NCc1nnn(-c2ccccc2)c1C1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901877245 921676062 /nfs/dbraw/zinc/67/60/62/921676062.db2.gz VVLKNQYAAVTEDK-OXQOHEQNSA-N -1 3 390.487 3.566 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccnc1OCC(F)(F)F ZINC000642323612 911982524 /nfs/dbraw/zinc/98/25/24/911982524.db2.gz VBPPRKMLQSFEPV-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CC(C)(OC(=O)c1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001182724922 912009797 /nfs/dbraw/zinc/00/97/97/912009797.db2.gz WQSSCHMMKKPPGW-UHFFFAOYSA-N -1 3 378.222 3.729 20 0 GHADHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182885621 912111828 /nfs/dbraw/zinc/11/18/28/912111828.db2.gz RWPZLOUESJZJPX-OCCSQVGLSA-N -1 3 396.878 3.706 20 0 GHADHM COc1ccc([C@@H](C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)C(C)C)cc1 ZINC001182985610 912198904 /nfs/dbraw/zinc/19/89/04/912198904.db2.gz PSHLYHAVSGABRW-FQEVSTJZSA-N -1 3 392.459 3.617 20 0 GHADHM O=C(COc1ccc2c([O-])coc2c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000642608626 912211613 /nfs/dbraw/zinc/21/16/13/912211613.db2.gz LGWNQYKHSMNOKO-UHFFFAOYSA-N -1 3 385.725 3.951 20 0 GHADHM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]Cc1nnc(-c2ccccc2)o1 ZINC001187073475 915004938 /nfs/dbraw/zinc/00/49/38/915004938.db2.gz ZUITVODHGQWQGN-UHFFFAOYSA-N -1 3 398.271 3.663 20 0 GHADHM CCOC(=O)[C@@H](CC1CCC1)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187084316 915022956 /nfs/dbraw/zinc/02/29/56/915022956.db2.gz GTPURUVLWYCWBR-OAHLLOKOSA-N -1 3 394.320 3.535 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c(F)c1F ZINC001187198292 915086795 /nfs/dbraw/zinc/08/67/95/915086795.db2.gz QVHNGERJNDWBGR-GFCCVEGCSA-N -1 3 396.242 3.592 20 0 GHADHM O=C1CCc2cccc([N-]S(=O)(=O)CCc3cccc4ccccc43)c2N1 ZINC001187646968 915394042 /nfs/dbraw/zinc/39/40/42/915394042.db2.gz MLBFGDUXVVHGHU-UHFFFAOYSA-N -1 3 380.469 3.709 20 0 GHADHM [O-]c1cc(F)c(CCNc2ccc3nnc(-c4cccc(F)c4)n3n2)c(F)c1 ZINC001187708582 915466392 /nfs/dbraw/zinc/46/63/92/915466392.db2.gz ILPHQLVOEYCRQM-UHFFFAOYSA-N -1 3 385.349 3.569 20 0 GHADHM O=S(=O)([N-]Cc1nccc(Cl)c1Cl)c1cnc(Cl)c(Cl)c1 ZINC001188088340 915747010 /nfs/dbraw/zinc/74/70/10/915747010.db2.gz GIEDWGADCONUEV-UHFFFAOYSA-N -1 3 387.075 3.569 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(Cl)cn1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188097697 915754009 /nfs/dbraw/zinc/75/40/09/915754009.db2.gz PDMSLVGHUQLSFL-ZDUSSCGKSA-N -1 3 392.695 3.866 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](COc2c(C)cccc2C)C(C)(C)C)s1 ZINC001188239675 915817729 /nfs/dbraw/zinc/81/77/29/915817729.db2.gz SLEBBBLPCOMPMV-HNNXBMFYSA-N -1 3 382.551 3.840 20 0 GHADHM CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1c(C)cccc1[O-])CC2 ZINC001188647036 916075753 /nfs/dbraw/zinc/07/57/53/916075753.db2.gz KBQFQXBAARMQMY-LJQANCHMSA-N -1 3 392.499 3.711 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCN(c2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001188648756 916077676 /nfs/dbraw/zinc/07/76/76/916077676.db2.gz NHWOXNXKXRXTKU-UHFFFAOYSA-N -1 3 396.487 3.618 20 0 GHADHM Cc1nc2c([N-]S(=O)(=O)Cc3cccc(Br)c3)cccn2c1C ZINC001188660150 916083308 /nfs/dbraw/zinc/08/33/08/916083308.db2.gz XFAYZERBTFNEBI-UHFFFAOYSA-N -1 3 394.294 3.656 20 0 GHADHM Cc1cccc(N2CCC[C@@]3(CN(C(=O)c4c(C)cccc4[O-])CCO3)C2)c1 ZINC001188640277 916097473 /nfs/dbraw/zinc/09/74/73/916097473.db2.gz LTPDFINGAWOPJU-QHCPKHFHSA-N -1 3 380.488 3.521 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])Nc1cc(F)cc2c1OCOC2 ZINC001188867800 916242991 /nfs/dbraw/zinc/24/29/91/916242991.db2.gz ZZZGMLWCTBDGMR-UHFFFAOYSA-N -1 3 383.173 3.804 20 0 GHADHM O=c1[nH]oc2ccc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)cc12 ZINC001188893559 916282892 /nfs/dbraw/zinc/28/28/92/916282892.db2.gz CTMRIUYWIKYNFF-UHFFFAOYSA-N -1 3 383.385 3.522 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(CNCc3cccc([O-])c3Cl)cc2)C[C@@H](C)O1 ZINC000293603794 916288328 /nfs/dbraw/zinc/28/83/28/916288328.db2.gz PDVVCZQBSZPQGF-HUUCEWRRSA-N -1 3 388.895 3.585 20 0 GHADHM O=S(=O)(CC1CC1)[N-]c1c(F)cc(Br)cc1C(F)(F)F ZINC001188968707 916315841 /nfs/dbraw/zinc/31/58/41/916315841.db2.gz FBCJRGVOUVRHPG-UHFFFAOYSA-N -1 3 376.169 3.759 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2cnn[n-]2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001189338509 916565577 /nfs/dbraw/zinc/56/55/77/916565577.db2.gz SRRBACWGQRBORR-UHFFFAOYSA-N -1 3 379.251 3.847 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2c[n-]nn2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001189338509 916565579 /nfs/dbraw/zinc/56/55/79/916565579.db2.gz SRRBACWGQRBORR-UHFFFAOYSA-N -1 3 379.251 3.847 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2cn[n-]n2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001189338509 916565585 /nfs/dbraw/zinc/56/55/85/916565585.db2.gz SRRBACWGQRBORR-UHFFFAOYSA-N -1 3 379.251 3.847 20 0 GHADHM COC(=O)c1cccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1F ZINC001189535451 916731298 /nfs/dbraw/zinc/73/12/98/916731298.db2.gz KOMOPGCQNBBSLA-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)NC(c1ccccc1)c1ccccc1 ZINC001189539737 916732556 /nfs/dbraw/zinc/73/25/56/916732556.db2.gz GMCWRHZRVRFZCI-UHFFFAOYSA-N -1 3 386.411 3.952 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCCO3)c(Br)c1 ZINC000650150943 916756393 /nfs/dbraw/zinc/75/63/93/916756393.db2.gz BUSRSCYEZOTJAR-UHFFFAOYSA-N -1 3 398.278 3.720 20 0 GHADHM Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cc([O-])cc(Cl)c3)c2)cc1 ZINC001189679867 916801417 /nfs/dbraw/zinc/80/14/17/916801417.db2.gz PYDNFMGGKBJGTL-UHFFFAOYSA-N -1 3 390.848 3.645 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(OC)c2)c(C)c1C ZINC000650217763 916809505 /nfs/dbraw/zinc/80/95/05/916809505.db2.gz WKPALDNJQFOUEG-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766783 916903908 /nfs/dbraw/zinc/90/39/08/916903908.db2.gz RLQKRIQJWYVQGU-UHFFFAOYSA-N -1 3 380.322 3.670 20 0 GHADHM CC(=O)Nc1ccc([C@@H](C)NC(=O)c2cccc(OC(F)(F)F)c2[O-])cc1 ZINC001189774971 916909924 /nfs/dbraw/zinc/90/99/24/916909924.db2.gz LNJLBHGZEUYFLC-SNVBAGLBSA-N -1 3 382.338 3.740 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccnn1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189775174 916910290 /nfs/dbraw/zinc/91/02/90/916910290.db2.gz RVUXAQFHMYTAQW-MRXNPFEDSA-N -1 3 389.333 3.600 20 0 GHADHM O=S(=O)([N-]Cc1ncccc1Cl)c1cc(Br)ccc1Cl ZINC001189760133 916930671 /nfs/dbraw/zinc/93/06/71/916930671.db2.gz NOVPMCDENYGHQY-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1cc(-c2cccc(Cl)c2)no1 ZINC001189850302 916978337 /nfs/dbraw/zinc/97/83/37/916978337.db2.gz FILYLYKJFHFNCU-UHFFFAOYSA-N -1 3 398.818 3.893 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)c(Cl)ccc32)s1 ZINC001190023192 917052904 /nfs/dbraw/zinc/05/29/04/917052904.db2.gz DNZFPCTYXBTECU-SNVBAGLBSA-N -1 3 393.317 3.814 20 0 GHADHM COc1cc([O-])c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001190138812 917123165 /nfs/dbraw/zinc/12/31/65/917123165.db2.gz XLYGXEIXXATNSR-UHFFFAOYSA-N -1 3 385.338 3.580 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@@H](C)c2c(Cl)cccc2Cl)ccc1F ZINC001190118834 917141623 /nfs/dbraw/zinc/14/16/23/917141623.db2.gz UXKPSJQAVAJTPA-QMMMGPOBSA-N -1 3 379.240 3.576 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc(Cl)c(F)c2)sc1Cl ZINC001190364101 917255563 /nfs/dbraw/zinc/25/55/63/917255563.db2.gz MBCXVKFLRPESNW-UHFFFAOYSA-N -1 3 384.281 3.860 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cn1)C1CC1)c1cc(C(F)(F)F)ccc1F ZINC001190350527 917278519 /nfs/dbraw/zinc/27/85/19/917278519.db2.gz LIYWZTPKWSCECO-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM Cc1cc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1Br ZINC001190413245 917320103 /nfs/dbraw/zinc/32/01/03/917320103.db2.gz PPDUHBNCIZSMIR-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM COC[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(Cl)cc1 ZINC001190429074 917332649 /nfs/dbraw/zinc/33/26/49/917332649.db2.gz JXRVUYSCEDCVQV-GFCCVEGCSA-N -1 3 392.279 3.841 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1F)C1CC1 ZINC001190592985 917435763 /nfs/dbraw/zinc/43/57/63/917435763.db2.gz JKJSWJMONBWUGQ-QGZVFWFLSA-N -1 3 397.855 3.695 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190903108 917655084 /nfs/dbraw/zinc/65/50/84/917655084.db2.gz ORVKFEPYBTUXLX-OAHLLOKOSA-N -1 3 387.867 3.691 20 0 GHADHM Cc1csc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000295973651 917684247 /nfs/dbraw/zinc/68/42/47/917684247.db2.gz VWQAJKRDWIYDME-UHFFFAOYSA-N -1 3 378.881 3.906 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000651680505 917692188 /nfs/dbraw/zinc/69/21/88/917692188.db2.gz JROCLIBFOSBAQF-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM O=S(=O)([N-][C@H](C1CC1)C1CCC1)c1cccc(Cl)c1Br ZINC001191037399 917719347 /nfs/dbraw/zinc/71/93/47/917719347.db2.gz YWUURCCTNBOGSL-AWEZNQCLSA-N -1 3 378.719 3.960 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC001191201317 917819533 /nfs/dbraw/zinc/81/95/33/917819533.db2.gz MNCKBLQXWRDYEL-NRUUGDAUSA-N -1 3 378.719 3.878 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)CC3)c1 ZINC001191311716 917879297 /nfs/dbraw/zinc/87/92/97/917879297.db2.gz XDDRVLQOJFICSS-UHFFFAOYSA-N -1 3 395.322 3.546 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cnnc(Cl)c2Cl)c1 ZINC001191279874 917892033 /nfs/dbraw/zinc/89/20/33/917892033.db2.gz JADQADHTMOFZFR-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC001191339924 917914304 /nfs/dbraw/zinc/91/43/04/917914304.db2.gz HRSNSFNWNLYJTF-NEPJUHHUSA-N -1 3 378.357 3.924 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[C@H](C)C2)cc1Cl ZINC001191394199 917953220 /nfs/dbraw/zinc/95/32/20/917953220.db2.gz IUCKERINRSMWTK-GVXVVHGQSA-N -1 3 390.908 3.931 20 0 GHADHM COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000652851317 918032261 /nfs/dbraw/zinc/03/22/61/918032261.db2.gz XRQYGHGGIBSFBL-KRWDZBQOSA-N -1 3 376.456 3.774 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSCc3ccncc3)c2)n1 ZINC000363291644 918039964 /nfs/dbraw/zinc/03/99/64/918039964.db2.gz DLPSCKWOOUYANN-UHFFFAOYSA-N -1 3 380.473 3.679 20 0 GHADHM CCOC(=O)c1nc(C)oc1[N-]C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191561330 918072997 /nfs/dbraw/zinc/07/29/97/918072997.db2.gz HFKYRIUSSJASSU-UHFFFAOYSA-N -1 3 375.278 3.962 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Br)C(Cl)(Cl)Cl ZINC001192001387 918334083 /nfs/dbraw/zinc/33/40/83/918334083.db2.gz NEHADPBMSHFTCA-UHFFFAOYSA-N -1 3 388.885 3.567 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCOc4c(OC)cccc43)nc2)n1 ZINC000363510521 918350818 /nfs/dbraw/zinc/35/08/18/918350818.db2.gz KOFIASDQZVSATQ-INIZCTEOSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1sc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nc1C(C)C ZINC000363921520 918977691 /nfs/dbraw/zinc/97/76/91/918977691.db2.gz DBHIRJYBQKTXTJ-UHFFFAOYSA-N -1 3 382.489 3.815 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000654454398 919134505 /nfs/dbraw/zinc/13/45/05/919134505.db2.gz VLOQQUQJFXNEMB-UHFFFAOYSA-N -1 3 384.329 3.918 20 0 GHADHM CCOc1ccc(O[C@@H](C)C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000014864432 919343596 /nfs/dbraw/zinc/34/35/96/919343596.db2.gz MKZDAQJCEDOEFV-NSHDSACASA-N -1 3 397.258 3.621 20 0 GHADHM CCOc1cc(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)cc(Cl)c1[O-] ZINC000297474453 919361285 /nfs/dbraw/zinc/36/12/85/919361285.db2.gz RMJUXDWYTLMWIQ-UHFFFAOYSA-N -1 3 388.851 3.577 20 0 GHADHM Cc1cccc(O[C@H](C)C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)c1C ZINC000016070569 919393414 /nfs/dbraw/zinc/39/34/14/919393414.db2.gz ZQWNOPBHMAXWQE-GFCCVEGCSA-N -1 3 381.259 3.839 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000115646893 919460745 /nfs/dbraw/zinc/46/07/45/919460745.db2.gz MOPBWBKWNKIIJG-UHFFFAOYSA-N -1 3 380.356 3.950 20 0 GHADHM CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000115646893 919460759 /nfs/dbraw/zinc/46/07/59/919460759.db2.gz MOPBWBKWNKIIJG-UHFFFAOYSA-N -1 3 380.356 3.950 20 0 GHADHM CCc1[nH]nc(Cl)c1CN[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000900030697 919761180 /nfs/dbraw/zinc/76/11/80/919761180.db2.gz GKIVXULFGWGGHP-CYBMUJFWSA-N -1 3 376.671 3.718 20 0 GHADHM Cc1sc(CCNCc2cccc(F)c2OC(F)(F)F)nc1C(=O)[O-] ZINC000900058843 919783855 /nfs/dbraw/zinc/78/38/55/919783855.db2.gz HOHMXBSVBWBXHJ-UHFFFAOYSA-N -1 3 378.347 3.520 20 0 GHADHM C/C(=C/c1ccccc1OC(F)F)CN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073939 919804633 /nfs/dbraw/zinc/80/46/33/919804633.db2.gz OCMRCJNCJRUSGH-UQTJOTSZSA-N -1 3 377.391 3.711 20 0 GHADHM COc1ccc(CNC[C@H](CC2CCCC2)C(=O)[O-])c(Br)c1O ZINC000900082956 919820001 /nfs/dbraw/zinc/82/00/01/919820001.db2.gz BOWVEKQRGIVAOO-ZDUSSCGKSA-N -1 3 386.286 3.534 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000801452272 921036805 /nfs/dbraw/zinc/03/68/05/921036805.db2.gz DVWHXYAGLORWQJ-OAQYLSRUSA-N -1 3 394.487 3.617 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](c2nnc([N-]Cc3nccc4ccccc43)o2)C1 ZINC000902148150 921922946 /nfs/dbraw/zinc/92/29/46/921922946.db2.gz JFUMUWPGBOJYSS-OAHLLOKOSA-N -1 3 395.463 3.954 20 0 GHADHM C[C@@H](Oc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1)C(=O)[O-] ZINC000902154379 921933164 /nfs/dbraw/zinc/93/31/64/921933164.db2.gz OWTJSPROKYERIB-MRXNPFEDSA-N -1 3 396.487 3.957 20 0 GHADHM COc1cc2c(cc1OC)CCN(Cc1ccnc3c(C(=O)[O-])cccc13)CC2 ZINC000902177642 921956663 /nfs/dbraw/zinc/95/66/63/921956663.db2.gz KEHHXORQJKSWRM-UHFFFAOYSA-N -1 3 392.455 3.551 20 0 GHADHM O=C([O-])c1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)cc1Br ZINC000902486149 922233130 /nfs/dbraw/zinc/23/31/30/922233130.db2.gz WPKUKDQEWFKNPL-HDICACEKSA-N -1 3 380.282 3.540 20 0 GHADHM O=C([O-])Cn1cc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(-c2ccccc2)n1 ZINC000902549870 922271928 /nfs/dbraw/zinc/27/19/28/922271928.db2.gz RQUFOCBPYPFKQA-QGZVFWFLSA-N -1 3 397.372 3.501 20 0 GHADHM O=C([N-]CCc1ccncc1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902884251 922578346 /nfs/dbraw/zinc/57/83/46/922578346.db2.gz VEJZVKJMRHORJV-UHFFFAOYSA-N -1 3 379.716 3.600 20 0 GHADHM C[C@H]1C[C@@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000902918800 922603794 /nfs/dbraw/zinc/60/37/94/922603794.db2.gz VWHCRXUKPUFFOD-IUCAKERBSA-N -1 3 386.748 3.777 20 0 GHADHM COC(=O)C1CC2(C1)CN([C@H](C)c1cc(Cl)ccc1Cl)C[C@@H]2C(=O)[O-] ZINC000903416705 923001749 /nfs/dbraw/zinc/00/17/49/923001749.db2.gz RPEBWNKEHWUJOK-IEWIWIMYSA-N -1 3 386.275 3.640 20 0 GHADHM CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C[C@@](C)(O)C(=O)[O-] ZINC000903606529 923122247 /nfs/dbraw/zinc/12/22/47/923122247.db2.gz CBUCRCQPEBMSRN-GOSISDBHSA-N -1 3 385.794 3.678 20 0 GHADHM C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@H]1CC(=O)[O-] ZINC000903631357 923139884 /nfs/dbraw/zinc/13/98/84/923139884.db2.gz QXLZPYFUYBOMTA-GHMZBOCLSA-N -1 3 376.678 3.524 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccnc2F)cc1C(C)C ZINC000903640915 923148051 /nfs/dbraw/zinc/14/80/51/923148051.db2.gz HUTFYGVUQOUPTI-UHFFFAOYSA-N -1 3 382.457 3.560 20 0 GHADHM COc1cc(CNCc2ccc(C(=O)[O-])s2)ccc1OCC(F)(F)F ZINC000903677281 923190104 /nfs/dbraw/zinc/19/01/04/923190104.db2.gz MBSOHWPDPKHSLU-UHFFFAOYSA-N -1 3 375.368 3.686 20 0 GHADHM O=C([O-])c1cncc(CN2CCC[C@H]2COc2ccc(Br)cc2)c1 ZINC000903934627 923409703 /nfs/dbraw/zinc/40/97/03/923409703.db2.gz QGJBQTULIGFBDV-INIZCTEOSA-N -1 3 391.265 3.586 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903943492 923421506 /nfs/dbraw/zinc/42/15/06/923421506.db2.gz ATUIKTIFQMMYFU-RISCZKNCSA-N -1 3 385.773 3.764 20 0 GHADHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ccc(OC(F)F)cc1 ZINC000748478108 923664131 /nfs/dbraw/zinc/66/41/31/923664131.db2.gz VDAKPMKJLPVNPC-UHFFFAOYSA-N -1 3 389.713 3.582 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000749142167 924045610 /nfs/dbraw/zinc/04/56/10/924045610.db2.gz KIVPZFRNCXKPRA-UHFFFAOYSA-N -1 3 393.436 3.642 20 0 GHADHM Cc1cc(NC(=O)C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)no1 ZINC000678319795 924723554 /nfs/dbraw/zinc/72/35/54/924723554.db2.gz HIXLHZOPHXUKIG-UHFFFAOYSA-N -1 3 394.412 3.543 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1CC ZINC000678715887 924892750 /nfs/dbraw/zinc/89/27/50/924892750.db2.gz HTZYHESATSQMJI-UHFFFAOYSA-N -1 3 376.478 3.579 20 0 GHADHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000409801793 925018890 /nfs/dbraw/zinc/01/88/90/925018890.db2.gz AGYMMNNVZHOBKN-UHFFFAOYSA-N -1 3 395.413 3.861 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC2(CC2)CC1 ZINC000679555758 925179691 /nfs/dbraw/zinc/17/96/91/925179691.db2.gz OZKWTHCALNSAOC-FQEVSTJZSA-N -1 3 378.472 3.656 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](Cc4ccncc4)C3)cc2)cc(=O)[n-]1 ZINC000679843261 925280725 /nfs/dbraw/zinc/28/07/25/925280725.db2.gz FGGDYDDGZSNHTJ-QGZVFWFLSA-N -1 3 389.459 3.649 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000410156660 925362866 /nfs/dbraw/zinc/36/28/66/925362866.db2.gz ZFDKZWKNJAVRKM-UHFFFAOYSA-N -1 3 391.830 3.676 20 0 GHADHM O=C(c1ccsc1)N1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000373454308 926147091 /nfs/dbraw/zinc/14/70/91/926147091.db2.gz BAOLPRULRBKXJF-UHFFFAOYSA-N -1 3 380.469 3.595 20 0 GHADHM C[C@@H]1CC[C@@H](CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)O1 ZINC000682716965 926217227 /nfs/dbraw/zinc/21/72/27/926217227.db2.gz VCJDDNJZIWSGGC-MFKMUULPSA-N -1 3 376.869 3.834 20 0 GHADHM CCCCN1C(=O)C[C@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276164475 926393148 /nfs/dbraw/zinc/39/31/48/926393148.db2.gz BJVBAQRXNHQJGU-IBGZPJMESA-N -1 3 399.318 3.840 20 0 GHADHM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276164901 926402242 /nfs/dbraw/zinc/40/22/42/926402242.db2.gz KUPSUZPWTKFOQT-HXPMCKFVSA-N -1 3 399.318 3.634 20 0 GHADHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725825137 926459454 /nfs/dbraw/zinc/45/94/54/926459454.db2.gz UDKYKSWKFLAXQP-VIFPVBQESA-N -1 3 379.696 3.951 20 0 GHADHM Cc1nccn1-c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000725888669 926480223 /nfs/dbraw/zinc/48/02/23/926480223.db2.gz MJTLEJCZLBMYAG-UHFFFAOYSA-N -1 3 398.466 3.802 20 0 GHADHM Cc1oc(-c2ccccc2)nc1COC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000726204167 926587471 /nfs/dbraw/zinc/58/74/71/926587471.db2.gz FLMZONJBVMBPJD-UHFFFAOYSA-N -1 3 394.427 3.527 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)OCc2cc(Cl)cc3cccnc32)c([O-])c1 ZINC000726205555 926587534 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COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)C ZINC000750998935 927973953 /nfs/dbraw/zinc/97/39/53/927973953.db2.gz OXROLUWYUNCDHP-MRXNPFEDSA-N -1 3 396.896 3.587 20 0 GHADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCCCC1 ZINC000751192839 928070433 /nfs/dbraw/zinc/07/04/33/928070433.db2.gz VMUFPWJPOITBNX-KRWDZBQOSA-N -1 3 384.517 3.601 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cnc1Cl ZINC000751223651 928080087 /nfs/dbraw/zinc/08/00/87/928080087.db2.gz CDKFMAPZJYQUNK-UHFFFAOYSA-N -1 3 376.869 3.988 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccn3Cc3ccncc3)c2)n1 ZINC000751334352 928141565 /nfs/dbraw/zinc/14/15/65/928141565.db2.gz APBCMQMQKLSSQM-UHFFFAOYSA-N -1 3 399.454 3.909 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)c2ccsc2)c1Cl ZINC000751438456 928194145 /nfs/dbraw/zinc/19/41/45/928194145.db2.gz NQVHYZKYZGHYQR-AWEZNQCLSA-N -1 3 380.318 3.549 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375584744 928473362 /nfs/dbraw/zinc/47/33/62/928473362.db2.gz VXPHFTOVKVENDA-SFHVURJKSA-N -1 3 389.455 3.873 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@H](C)c3nccs3)cc2)cc(=O)[n-]1 ZINC000544076440 928772919 /nfs/dbraw/zinc/77/29/19/928772919.db2.gz SUBXYTSMESGJGI-LBPRGKRZSA-N -1 3 383.477 3.882 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000752348244 928783347 /nfs/dbraw/zinc/78/33/47/928783347.db2.gz PKHMIMVHRKNFCW-CYBMUJFWSA-N -1 3 387.361 3.984 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1noc(Cc2ccccc2)n1 ZINC000752444383 928826155 /nfs/dbraw/zinc/82/61/55/928826155.db2.gz PBWPBVKRWGYSCU-GFCCVEGCSA-N -1 3 375.350 3.769 20 0 GHADHM Cc1cc(C=CC(=O)N2CCc3c(=O)[n-]cnc3C2)c(C)n1C1CCCCC1 ZINC000752770742 929014594 /nfs/dbraw/zinc/01/45/94/929014594.db2.gz AYNWTOFKJIUNMG-HJWRWDBZSA-N -1 3 380.492 3.704 20 0 GHADHM COCCc1nc2cc(NCc3cc(=O)oc4c(C)c([O-])ccc34)ccc2o1 ZINC000753153816 929230689 /nfs/dbraw/zinc/23/06/89/929230689.db2.gz CBJRUYFKJKOAMA-UHFFFAOYSA-N -1 3 380.400 3.749 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCOCC2)c(F)cc1F ZINC000753371695 929323123 /nfs/dbraw/zinc/32/31/23/929323123.db2.gz VWNJNEZXEAQGNK-LJQANCHMSA-N -1 3 381.444 3.719 20 0 GHADHM CC(C)(C)c1nc(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cs1 ZINC000467710403 929325636 /nfs/dbraw/zinc/32/56/36/929325636.db2.gz HYKOQGPBONDGLQ-UHFFFAOYSA-N -1 3 376.432 3.712 20 0 GHADHM CC(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000544823896 929623569 /nfs/dbraw/zinc/62/35/69/929623569.db2.gz QOZRTOVKGVHNCZ-UHFFFAOYSA-N -1 3 378.429 3.593 20 0 GHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000469393504 929844365 /nfs/dbraw/zinc/84/43/65/929844365.db2.gz OCBYZRULEIRIAO-JLTOFOAXSA-N -1 3 375.415 3.982 20 0 GHADHM CN1Cc2ccccc2[C@@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000757925166 929857806 /nfs/dbraw/zinc/85/78/06/929857806.db2.gz MHDQRMFSUTUILO-SFHVURJKSA-N -1 3 397.475 3.656 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000546178696 929931224 /nfs/dbraw/zinc/93/12/24/929931224.db2.gz TZYQSVPTCUFOBD-GFCCVEGCSA-N -1 3 399.255 3.688 20 0 GHADHM O=S(=O)([N-]CC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000758268295 929997226 /nfs/dbraw/zinc/99/72/26/929997226.db2.gz YGGRIRSRMBXQFD-CQSZACIVSA-N -1 3 396.242 3.674 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cnn(-c3cnc4ccccc4n3)c2)cc1 ZINC000759108528 930276307 /nfs/dbraw/zinc/27/63/07/930276307.db2.gz SWIPZCUGDNWYQU-KHPPLWFESA-N -1 3 391.456 3.537 20 0 GHADHM CCOC(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)OCC ZINC000780339171 930386472 /nfs/dbraw/zinc/38/64/72/930386472.db2.gz WNNQVEMUAVMRFZ-UHFFFAOYSA-N -1 3 394.884 3.666 20 0 GHADHM C[C@@H](Cc1ccc(Cl)s1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759505147 930389070 /nfs/dbraw/zinc/38/90/70/930389070.db2.gz NEQADYNJUIGHIE-VIFPVBQESA-N -1 3 391.873 3.700 20 0 GHADHM CCOc1cc(/C=C\C(=O)Nc2cc(Br)ccc2[O-])ccc1O ZINC000780994976 930665274 /nfs/dbraw/zinc/66/52/74/930665274.db2.gz XCNFBJFBVOUQAP-YWEYNIOJSA-N -1 3 378.222 3.911 20 0 GHADHM CC(C)OCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000781469673 930859622 /nfs/dbraw/zinc/85/96/22/930859622.db2.gz BRUARJPXLADHQN-UHFFFAOYSA-N -1 3 395.452 3.598 20 0 GHADHM Cc1nc(Cl)ccc1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000781882976 931009871 /nfs/dbraw/zinc/00/98/71/931009871.db2.gz ZQQWUXFBHLKWCX-UHFFFAOYSA-N -1 3 387.636 3.736 20 0 GHADHM Cc1c([O-])ccc2c(CN[C@H](CO)c3ccc(C(F)(F)F)cc3)cc(=O)oc12 ZINC000782091248 931086785 /nfs/dbraw/zinc/08/67/85/931086785.db2.gz OYVPOJLPQPHLDA-MRXNPFEDSA-N -1 3 393.361 3.649 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000782947761 931372958 /nfs/dbraw/zinc/37/29/58/931372958.db2.gz JUBZXLRFISEBGQ-UHFFFAOYSA-N -1 3 388.830 3.631 20 0 GHADHM Cc1nc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)sc1Cc1ccc(C)cc1 ZINC000557400662 931403194 /nfs/dbraw/zinc/40/31/94/931403194.db2.gz AJHISFWBKQWAOI-LBPRGKRZSA-N -1 3 383.395 3.728 20 0 GHADHM O=S(=O)([N-]CCCCc1ccc(F)c(F)c1)c1cccnc1C(F)(F)F ZINC000557834504 931712609 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GHADHM O=C1[N-]C(=O)C(=CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC000797785654 932407001 /nfs/dbraw/zinc/40/70/01/932407001.db2.gz NYZVIYKJAAPTSJ-ZKJMASMISA-N -1 3 386.373 3.852 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927267775 932471252 /nfs/dbraw/zinc/47/12/52/932471252.db2.gz SJMMCDQNMCWMTA-LBPRGKRZSA-N -1 3 382.151 3.661 20 0 GHADHM O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1cc([O-])ccc1Cl ZINC000559359173 932625644 /nfs/dbraw/zinc/62/56/44/932625644.db2.gz OZORPMCOJIWSIL-UHFFFAOYSA-N -1 3 399.878 3.585 20 0 GHADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000798761730 932771565 /nfs/dbraw/zinc/77/15/65/932771565.db2.gz GFOAVZNVBYMPQP-UHFFFAOYSA-N -1 3 392.427 3.535 20 0 GHADHM CCCCn1nc(C)c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1Cl ZINC000798955995 932838582 /nfs/dbraw/zinc/83/85/82/932838582.db2.gz CDWOVYXUPYJDNF-UHFFFAOYSA-N -1 3 394.869 3.536 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799020391 932853149 /nfs/dbraw/zinc/85/31/49/932853149.db2.gz LLICNUVGFJJOFY-UHFFFAOYSA-N -1 3 384.442 3.905 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799020065 932853178 /nfs/dbraw/zinc/85/31/78/932853178.db2.gz YDCQTFLMYDYNJE-MRXNPFEDSA-N -1 3 376.463 3.900 20 0 GHADHM CC/C(=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(C)cc1 ZINC000799020506 932853408 /nfs/dbraw/zinc/85/34/08/932853408.db2.gz QJBVXQCBRLBAEB-FOWTUZBSSA-N -1 3 382.426 3.706 20 0 GHADHM CC(C)C[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799023175 932854313 /nfs/dbraw/zinc/85/43/13/932854313.db2.gz XNHIOAXDICJBDD-KRWDZBQOSA-N -1 3 384.442 3.733 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000799092375 932875072 /nfs/dbraw/zinc/87/50/72/932875072.db2.gz NJCCQJLARUXJJZ-UHFFFAOYSA-N -1 3 388.370 3.809 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000799096905 932877914 /nfs/dbraw/zinc/87/79/14/932877914.db2.gz CEDSTXUOAABTCF-UHFFFAOYSA-N -1 3 386.448 3.833 20 0 GHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)c([O-])c1 ZINC000928357112 932941656 /nfs/dbraw/zinc/94/16/56/932941656.db2.gz HAALSMSMTLQFCA-OAHLLOKOSA-N -1 3 377.238 3.536 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)c(=O)[n-]1 ZINC000928396023 932967282 /nfs/dbraw/zinc/96/72/82/932967282.db2.gz RFHAMXYMEUTIGJ-AWEZNQCLSA-N -1 3 393.409 3.554 20 0 GHADHM O=C([N-][C@H](c1ncccn1)C1CC1)C(F)(F)c1ccccc1Br ZINC000928572060 933023639 /nfs/dbraw/zinc/02/36/39/933023639.db2.gz AGSLZJKOKYHLCD-ZDUSSCGKSA-N -1 3 382.208 3.598 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000799917390 933166444 /nfs/dbraw/zinc/16/64/44/933166444.db2.gz UASPERMEAGGILA-QXMHVHEDSA-N -1 3 377.441 3.768 20 0 GHADHM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(-n4cccc4)ccc3F)ccc2o1 ZINC001115936194 933250691 /nfs/dbraw/zinc/25/06/91/933250691.db2.gz IDXDWVMMIBMFCP-UHFFFAOYSA-N -1 3 384.388 3.524 20 0 GHADHM Cn1c(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])nc2ccccc21 ZINC001116071666 933319093 /nfs/dbraw/zinc/31/90/93/933319093.db2.gz ABHAHBDIVLYEHI-UHFFFAOYSA-N -1 3 385.467 3.842 20 0 GHADHM COc1cc(Oc2ccccc2)ccc1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001116334645 933489059 /nfs/dbraw/zinc/48/90/59/933489059.db2.gz ATGNXIGCIVCAFP-UHFFFAOYSA-N -1 3 379.416 3.863 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3cnc(Cl)cc3Cl)CCCC2)n1 ZINC001116461981 933574151 /nfs/dbraw/zinc/57/41/51/933574151.db2.gz DVRJMRCKMUACAN-UHFFFAOYSA-N -1 3 392.333 3.901 20 0 GHADHM CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001116652473 933684655 /nfs/dbraw/zinc/68/46/55/933684655.db2.gz UKBLZAHXNUGAQP-UHFFFAOYSA-N -1 3 379.342 3.532 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(C(F)F)CCCCC1 ZINC000561085044 933847810 /nfs/dbraw/zinc/84/78/10/933847810.db2.gz MCJLBLIVIYPZAD-UHFFFAOYSA-N -1 3 390.434 3.569 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)cc1F ZINC000561098934 933862974 /nfs/dbraw/zinc/86/29/74/933862974.db2.gz JPQSTLSQACDWOP-NVXWUHKLSA-N -1 3 387.835 3.735 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC001117194553 933880345 /nfs/dbraw/zinc/88/03/45/933880345.db2.gz FXGHBHLXJZUDDJ-INIZCTEOSA-N -1 3 389.502 3.509 20 0 GHADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000930670913 934172646 /nfs/dbraw/zinc/17/26/46/934172646.db2.gz OONIDVCXOMKKJT-SPLOXXLWSA-N -1 3 398.409 3.704 20 0 GHADHM CC(C)n1ncc2cc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c(Cl)nc21 ZINC001118517289 934184860 /nfs/dbraw/zinc/18/48/60/934184860.db2.gz XTZXUXWEFSPDSZ-GFCCVEGCSA-N -1 3 392.809 3.799 20 0 GHADHM CC1(C)CC[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccc([O-])cc3)c3cccc1c32 ZINC000561627070 934320567 /nfs/dbraw/zinc/32/05/67/934320567.db2.gz OFXDPDGNXOXCMI-DNVCBOLYSA-N -1 3 378.472 3.538 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000561668882 934353240 /nfs/dbraw/zinc/35/32/40/934353240.db2.gz USKOSTPRACNNQX-ZIAGYGMSSA-N -1 3 394.443 3.555 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001119994155 934432214 /nfs/dbraw/zinc/43/22/14/934432214.db2.gz XEPBDCKCMMGGGF-AWEZNQCLSA-N -1 3 393.409 3.635 20 0 GHADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120722479 934500658 /nfs/dbraw/zinc/50/06/58/934500658.db2.gz UJUOZGATVGKHNS-CABZTGNLSA-N -1 3 398.834 3.515 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(N2CCC(n3cccn3)CC2)cc1 ZINC001120810975 934517484 /nfs/dbraw/zinc/51/74/84/934517484.db2.gz XHZXBIZOFKXGLY-UHFFFAOYSA-N -1 3 382.489 3.525 20 0 GHADHM O=C([N-]c1nc2c(s1)CCCC2=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001121315774 934623803 /nfs/dbraw/zinc/62/38/03/934623803.db2.gz ZTHSJXPVEVSGKH-UHFFFAOYSA-N -1 3 381.413 3.504 20 0 GHADHM CC(C)c1sc(NC(=O)NCCCc2c[n-][nH]c2=O)nc1-c1ccccc1 ZINC000931677620 934669267 /nfs/dbraw/zinc/66/92/67/934669267.db2.gz UWTNXOUYFXFLMU-CQSZACIVSA-N -1 3 385.493 3.567 20 0 GHADHM COc1ccc(OC)c(-c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)c1 ZINC000562109843 934702402 /nfs/dbraw/zinc/70/24/02/934702402.db2.gz ZPTLBGMDSFWBOZ-UHFFFAOYSA-N -1 3 377.759 3.799 20 0 GHADHM COc1cc(OC2CC2)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000562308219 934815032 /nfs/dbraw/zinc/81/50/32/934815032.db2.gz PSSJJTPDFCAPPJ-UHFFFAOYSA-N -1 3 392.249 3.635 20 0 GHADHM CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1)C1CC(C)(C)C1 ZINC001122999966 935051501 /nfs/dbraw/zinc/05/15/01/935051501.db2.gz XSBOULXFZHMQOS-UHFFFAOYSA-N -1 3 398.536 3.874 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cnc(Cl)cc1C(F)(F)F ZINC001123962671 935324783 /nfs/dbraw/zinc/32/47/83/935324783.db2.gz VUNKMYDVDLSMDQ-QMMMGPOBSA-N -1 3 378.763 3.709 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2coc(OCC)n2)sc2c1CCCCC2 ZINC001125047406 935515391 /nfs/dbraw/zinc/51/53/91/935515391.db2.gz VGCSHMPEWYHNGK-UHFFFAOYSA-N -1 3 378.450 3.833 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c([O-])c1 ZINC001137612834 935627522 /nfs/dbraw/zinc/62/75/22/935627522.db2.gz XFQAEMOPHCVYLY-OAQYLSRUSA-N -1 3 384.451 3.536 20 0 GHADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1OCC1CCOCC1 ZINC000828548067 935658635 /nfs/dbraw/zinc/65/86/35/935658635.db2.gz VRDGQJJKCFWTDD-UHFFFAOYSA-N -1 3 383.370 3.795 20 0 GHADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1OCC1CCOCC1 ZINC000828548067 935658640 /nfs/dbraw/zinc/65/86/40/935658640.db2.gz VRDGQJJKCFWTDD-UHFFFAOYSA-N -1 3 383.370 3.795 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000828619210 935676972 /nfs/dbraw/zinc/67/69/72/935676972.db2.gz CIESUXPPKBUUOX-ZGAQZAOCSA-N -1 3 385.291 3.952 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000829634498 935837104 /nfs/dbraw/zinc/83/71/04/935837104.db2.gz MHPDBVPONKJMKG-XYZCENFISA-N -1 3 386.320 3.611 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)OC(C)(C)C)c([O-])c1 ZINC001137937952 935880437 /nfs/dbraw/zinc/88/04/37/935880437.db2.gz OZVGDPYNYHLIEZ-UHFFFAOYSA-N -1 3 399.443 3.705 20 0 GHADHM Brc1ccc(-c2nnn[n-]2)cc1CSc1ccc2n[nH]cc2c1 ZINC001573280226 946657280 /nfs/dbraw/zinc/65/72/80/946657280.db2.gz RDVJERPMQVEQCQ-UHFFFAOYSA-N -1 3 387.266 3.798 20 0 GHADHM Brc1ccc(-c2nn[n-]n2)cc1CSc1ccc2n[nH]cc2c1 ZINC001573280226 946657286 /nfs/dbraw/zinc/65/72/86/946657286.db2.gz RDVJERPMQVEQCQ-UHFFFAOYSA-N -1 3 387.266 3.798 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC001573553542 946886856 /nfs/dbraw/zinc/88/68/56/946886856.db2.gz YQAQTCCMWZUDOM-CQSZACIVSA-N -1 3 393.447 3.599 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC001573553542 946886866 /nfs/dbraw/zinc/88/68/66/946886866.db2.gz YQAQTCCMWZUDOM-CQSZACIVSA-N -1 3 393.447 3.599 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001573555251 946907145 /nfs/dbraw/zinc/90/71/45/946907145.db2.gz IDIJRIBACCYFDL-UHFFFAOYSA-N -1 3 399.838 3.520 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001573555251 946907152 /nfs/dbraw/zinc/90/71/52/946907152.db2.gz IDIJRIBACCYFDL-UHFFFAOYSA-N -1 3 399.838 3.520 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1 ZINC001573361674 947693328 /nfs/dbraw/zinc/69/33/28/947693328.db2.gz DPSRAZRHYDETKG-XFFZJAGNSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1 ZINC001573361674 947693331 /nfs/dbraw/zinc/69/33/31/947693331.db2.gz DPSRAZRHYDETKG-XFFZJAGNSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=CC(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1)c1cccs1 ZINC001573366321 947737759 /nfs/dbraw/zinc/73/77/59/947737759.db2.gz VOXZNJKYJBBNQG-HJWRWDBZSA-N -1 3 395.366 3.869 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1c(Cl)cccc1Cl ZINC001573731371 948590818 /nfs/dbraw/zinc/59/08/18/948590818.db2.gz WGOTWGDFRVGBNJ-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1c(Cl)cccc1Cl ZINC001573731371 948590826 /nfs/dbraw/zinc/59/08/26/948590826.db2.gz WGOTWGDFRVGBNJ-VIFPVBQESA-N -1 3 394.237 3.733 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC001573755137 948755674 /nfs/dbraw/zinc/75/56/74/948755674.db2.gz ATTNQABXQYAAJU-GUYCJALGSA-N -1 3 395.488 3.772 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC001573755137 948755687 /nfs/dbraw/zinc/75/56/87/948755687.db2.gz ATTNQABXQYAAJU-GUYCJALGSA-N -1 3 395.488 3.772 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cc2ccccc2o1 ZINC001573755768 948782251 /nfs/dbraw/zinc/78/22/51/948782251.db2.gz HVYSUJBBBYIPKU-LBPRGKRZSA-N -1 3 384.399 3.903 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cc2ccccc2o1 ZINC001573755768 948782270 /nfs/dbraw/zinc/78/22/70/948782270.db2.gz HVYSUJBBBYIPKU-LBPRGKRZSA-N -1 3 384.399 3.903 20 0 GHADHM CC(C)[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC001574080686 948800014 /nfs/dbraw/zinc/80/00/14/948800014.db2.gz URZKNVWBMZDUHH-AWEZNQCLSA-N -1 3 391.262 3.696 20 0 GHADHM CC(C)[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC001574080686 948800023 /nfs/dbraw/zinc/80/00/23/948800023.db2.gz URZKNVWBMZDUHH-AWEZNQCLSA-N -1 3 391.262 3.696 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)c1ccsc1 ZINC001573756377 948812250 /nfs/dbraw/zinc/81/22/50/948812250.db2.gz PNONXAFJHIXVKU-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)c1ccsc1 ZINC001573756377 948812269 /nfs/dbraw/zinc/81/22/69/948812269.db2.gz PNONXAFJHIXVKU-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM CC(C)(C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccc2ccccc2c1 ZINC001573771483 948941373 /nfs/dbraw/zinc/94/13/73/948941373.db2.gz ITCWUOUIEXOFQQ-UHFFFAOYSA-N -1 3 383.455 3.840 20 0 GHADHM CC(C)(C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccc2ccccc2c1 ZINC001573771483 948941388 /nfs/dbraw/zinc/94/13/88/948941388.db2.gz ITCWUOUIEXOFQQ-UHFFFAOYSA-N -1 3 383.455 3.840 20 0 GHADHM CC(C)[C@H]1C[C@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001574092688 949072927 /nfs/dbraw/zinc/07/29/27/949072927.db2.gz SHGBPMWFNANXOU-IAGOWNOFSA-N -1 3 378.432 3.994 20 0 GHADHM CC(C)[C@H]1C[C@H]1C(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001574092688 949072947 /nfs/dbraw/zinc/07/29/47/949072947.db2.gz SHGBPMWFNANXOU-IAGOWNOFSA-N -1 3 378.432 3.994 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575504730 949084422 /nfs/dbraw/zinc/08/44/22/949084422.db2.gz WXEHSRJJYIGMQM-LIRRHRJNSA-N -1 3 393.516 3.682 20 0 GHADHM C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575504730 949084441 /nfs/dbraw/zinc/08/44/41/949084441.db2.gz WXEHSRJJYIGMQM-LIRRHRJNSA-N -1 3 393.516 3.682 20 0 GHADHM CC(C)(C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001573783137 949140625 /nfs/dbraw/zinc/14/06/25/949140625.db2.gz SPSMOGUYCXQFMJ-OALUTQOASA-N -1 3 389.503 3.700 20 0 GHADHM CC(C)(C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001573783137 949140647 /nfs/dbraw/zinc/14/06/47/949140647.db2.gz SPSMOGUYCXQFMJ-OALUTQOASA-N -1 3 389.503 3.700 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC001574100253 949189752 /nfs/dbraw/zinc/18/97/52/949189752.db2.gz RZZGWDPYWRUSEN-YPMHNXCESA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC001574100253 949189759 /nfs/dbraw/zinc/18/97/59/949189759.db2.gz RZZGWDPYWRUSEN-YPMHNXCESA-N -1 3 391.566 3.913 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC001575516202 949204842 /nfs/dbraw/zinc/20/48/42/949204842.db2.gz NMJNCLBDUXBEFD-AWEZNQCLSA-N -1 3 388.406 3.809 20 0 GHADHM C[C@@H](c1ccccc1)N(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC001575516202 949204860 /nfs/dbraw/zinc/20/48/60/949204860.db2.gz NMJNCLBDUXBEFD-AWEZNQCLSA-N -1 3 388.406 3.809 20 0 GHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575516199 949204968 /nfs/dbraw/zinc/20/49/68/949204968.db2.gz NMHKIGVDTMLYHS-SCLBCKFNSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575516199 949204987 /nfs/dbraw/zinc/20/49/87/949204987.db2.gz NMHKIGVDTMLYHS-SCLBCKFNSA-N -1 3 380.427 3.806 20 0 GHADHM CC1(c2ccccc2)CC(Nc2ncc(Br)cc2-c2nnn[n-]2)C1 ZINC001575856622 949254784 /nfs/dbraw/zinc/25/47/84/949254784.db2.gz IRWABZUPRHMWJK-UHFFFAOYSA-N -1 3 385.269 3.556 20 0 GHADHM CC1(c2ccccc2)CC(Nc2ncc(Br)cc2-c2nn[n-]n2)C1 ZINC001575856622 949254806 /nfs/dbraw/zinc/25/48/06/949254806.db2.gz IRWABZUPRHMWJK-UHFFFAOYSA-N -1 3 385.269 3.556 20 0 GHADHM O=C([O-])c1ccc(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)s1 ZINC001595232230 949353401 /nfs/dbraw/zinc/35/34/01/949353401.db2.gz KGDRFLQNMSRVAI-CQSZACIVSA-N -1 3 379.787 3.639 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001576158811 949505051 /nfs/dbraw/zinc/50/50/51/949505051.db2.gz URCXDZZNOFFUFK-CABCVRRESA-N -1 3 377.448 3.825 20 0 GHADHM C[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001576158811 949505066 /nfs/dbraw/zinc/50/50/66/949505066.db2.gz URCXDZZNOFFUFK-CABCVRRESA-N -1 3 377.448 3.825 20 0 GHADHM C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001576170761 949736775 /nfs/dbraw/zinc/73/67/75/949736775.db2.gz MSZHLOTWEKRHEC-YJBOKZPZSA-N -1 3 376.464 3.621 20 0 GHADHM C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001576170761 949736786 /nfs/dbraw/zinc/73/67/86/949736786.db2.gz MSZHLOTWEKRHEC-YJBOKZPZSA-N -1 3 376.464 3.621 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)cc1 ZINC001573873377 950643517 /nfs/dbraw/zinc/64/35/17/950643517.db2.gz LYAHABRPMUFLFG-UHFFFAOYSA-N -1 3 390.447 3.915 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)cc1 ZINC001573873377 950643530 /nfs/dbraw/zinc/64/35/30/950643530.db2.gz LYAHABRPMUFLFG-UHFFFAOYSA-N -1 3 390.447 3.915 20 0 GHADHM C[C@@H]1CCc2c(C(=O)N[C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)csc2C1 ZINC001576217297 950754240 /nfs/dbraw/zinc/75/42/40/950754240.db2.gz LWLMWBVMRNKATH-XIKOKIGWSA-N -1 3 393.516 3.860 20 0 GHADHM C[C@@H]1CCc2c(C(=O)N[C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)csc2C1 ZINC001576217297 950754256 /nfs/dbraw/zinc/75/42/56/950754256.db2.gz LWLMWBVMRNKATH-XIKOKIGWSA-N -1 3 393.516 3.860 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2COc2ccccc2)n1 ZINC001573882126 950767906 /nfs/dbraw/zinc/76/79/06/950767906.db2.gz TWJWRMRSJZXVMA-HNNXBMFYSA-N -1 3 378.480 3.607 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2COc2ccccc2)n1 ZINC001573882126 950767910 /nfs/dbraw/zinc/76/79/10/950767910.db2.gz TWJWRMRSJZXVMA-HNNXBMFYSA-N -1 3 378.480 3.607 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576217929 950771903 /nfs/dbraw/zinc/77/19/03/950771903.db2.gz PKUBSVNFYPMCSH-BTDLBPIBSA-N -1 3 384.390 3.590 20 0 GHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001576217929 950771917 /nfs/dbraw/zinc/77/19/17/950771917.db2.gz PKUBSVNFYPMCSH-BTDLBPIBSA-N -1 3 384.390 3.590 20 0 GHADHM CC(C)CCC1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001574185055 950791896 /nfs/dbraw/zinc/79/18/96/950791896.db2.gz RZZKTSNICNJGLB-UHFFFAOYSA-N -1 3 390.919 3.607 20 0 GHADHM CC(C)CCC1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001574185055 950791917 /nfs/dbraw/zinc/79/19/17/950791917.db2.gz RZZKTSNICNJGLB-UHFFFAOYSA-N -1 3 390.919 3.607 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@H]3Cc4ccccc43)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576220871 950837498 /nfs/dbraw/zinc/83/74/98/950837498.db2.gz XMECDQCXIQJAQG-SUNKGSAMSA-N -1 3 379.489 3.892 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@H]3Cc4ccccc43)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576220871 950837518 /nfs/dbraw/zinc/83/75/18/950837518.db2.gz XMECDQCXIQJAQG-SUNKGSAMSA-N -1 3 379.489 3.892 20 0 GHADHM CC(C)CCN(CCC(C)C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001574195393 950985410 /nfs/dbraw/zinc/98/54/10/950985410.db2.gz MZOZHFDKQDKGJF-FQEVSTJZSA-N -1 3 398.555 3.756 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1csc2ccccc12 ZINC001575185324 952432048 /nfs/dbraw/zinc/43/20/48/952432048.db2.gz PJFNJWLZRRMRHR-CQSZACIVSA-N -1 3 391.500 3.919 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1csc2ccccc12 ZINC001575185324 952432051 /nfs/dbraw/zinc/43/20/51/952432051.db2.gz PJFNJWLZRRMRHR-CQSZACIVSA-N -1 3 391.500 3.919 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001575189405 952457636 /nfs/dbraw/zinc/45/76/36/952457636.db2.gz OLDJOZVSNISDHL-BFUOFWGJSA-N -1 3 395.894 3.893 20 0 GHADHM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001575189405 952457639 /nfs/dbraw/zinc/45/76/39/952457639.db2.gz OLDJOZVSNISDHL-BFUOFWGJSA-N -1 3 395.894 3.893 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccc(Cl)cc1Br)O2 ZINC001594905342 954670611 /nfs/dbraw/zinc/67/06/11/954670611.db2.gz NFMITNKZYOSHPM-RYCVTPFZSA-N -1 3 388.689 3.605 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CNCC3(c4ccc(F)cc4F)CC3)o2)C1 ZINC001594918369 954782961 /nfs/dbraw/zinc/78/29/61/954782961.db2.gz SSGNMHFPZUVDKQ-AWEZNQCLSA-N -1 3 390.430 3.680 20 0 GHADHM CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC001603080574 972152488 /nfs/dbraw/zinc/15/24/88/972152488.db2.gz WKALGGYBCKUARV-FQEVSTJZSA-N -1 3 399.491 3.525 20 0 GHADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCCN(Cc2ccccc2)C1 ZINC001517332058 962765909 /nfs/dbraw/zinc/76/59/09/962765909.db2.gz IDFULEKYZIVKRN-GECPAALWSA-N -1 3 398.547 3.829 20 0 GHADHM C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ncc(C(=O)[O-])s1 ZINC000314674840 963788493 /nfs/dbraw/zinc/78/84/93/963788493.db2.gz QIQFQHRKZDVKFT-YPMHNXCESA-N -1 3 383.514 3.528 20 0 GHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H]3CCC4(CCCCC4)O3)o2)C1 ZINC001605997227 973064553 /nfs/dbraw/zinc/06/45/53/973064553.db2.gz ACGFMSVYKXLZHH-AEFFLSMTSA-N -1 3 376.497 3.552 20 0 GHADHM O=C([O-])[C@@H]1CN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC001606434951 973885559 /nfs/dbraw/zinc/88/55/59/973885559.db2.gz FMRLKUGVRBXGAA-VVLHAWIVSA-N -1 3 383.410 3.724 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001603654989 974026431 /nfs/dbraw/zinc/02/64/31/974026431.db2.gz NFMQKIZEATXQMT-KRWDZBQOSA-N -1 3 390.871 3.638 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(CCOc2ccccc2Br)C1 ZINC000576590738 974818212 /nfs/dbraw/zinc/81/82/12/974818212.db2.gz CDKGASHOEQRUIC-IBGZPJMESA-N -1 3 390.277 3.556 20 0 GHADHM COC(=O)c1ccccc1CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001625847596 1014226215 /nfs/dbraw/zinc/22/62/15/1014226215.db2.gz YMSWSSNRDQHLKR-UHFFFAOYSA-N -1 3 389.451 3.894 20 0 GHADHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001592268977 977526356 /nfs/dbraw/zinc/52/63/56/977526356.db2.gz OUXKXCDBIFKTHZ-SJKOYZFVSA-N -1 3 388.851 3.869 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592273582 977543649 /nfs/dbraw/zinc/54/36/49/977543649.db2.gz CZEDDJPYMLQGBS-LBPRGKRZSA-N -1 3 387.867 3.818 20 0 GHADHM C[C@](CC(=O)[O-])(NCc1ccc(OCC(F)(F)F)nc1)c1cccc(F)c1 ZINC001592328926 977750047 /nfs/dbraw/zinc/75/00/47/977750047.db2.gz PBVQRUSWXQVOST-QGZVFWFLSA-N -1 3 386.345 3.642 20 0 GHADHM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830500709 979018814 /nfs/dbraw/zinc/01/88/14/979018814.db2.gz VSDHYAZSLATEGQ-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM COc1cc(F)c(Br)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001460999536 1069328078 /nfs/dbraw/zinc/32/80/78/1069328078.db2.gz CSOIJUMGTWPWMJ-UHFFFAOYSA-N -1 3 391.196 3.691 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C23CCC(CC2)C3(C)C)cc1OC ZINC001626262366 1014596638 /nfs/dbraw/zinc/59/66/38/1014596638.db2.gz GSWGQCCTOCSAFM-UHFFFAOYSA-N -1 3 380.510 3.612 20 0 GHADHM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2O[C@@H](C)C(=O)[O-])C1 ZINC001595368710 980830307 /nfs/dbraw/zinc/83/03/07/980830307.db2.gz MZOLKRXKYQDMFB-KSFYIVLOSA-N -1 3 391.508 3.872 20 0 GHADHM Cc1ccnc(C2CCN([C@@H](C(=O)[O-])c3ccccc3Br)CC2)n1 ZINC000903963358 981078778 /nfs/dbraw/zinc/07/87/78/981078778.db2.gz XUXCEACHSBUUMW-MRXNPFEDSA-N -1 3 390.281 3.553 20 0 GHADHM CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)ccc2NC1=O ZINC001595500386 981272070 /nfs/dbraw/zinc/27/20/70/981272070.db2.gz ZAJUVFFQZMDRKE-DPZKZMLUSA-N -1 3 388.851 3.926 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cccc3ccccc32)c([O-])c1 ZINC001626003587 1014730158 /nfs/dbraw/zinc/73/01/58/1014730158.db2.gz CQQAMGFKTOOPJX-UHFFFAOYSA-N -1 3 376.456 3.632 20 0 GHADHM CCCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001595845921 982768360 /nfs/dbraw/zinc/76/83/60/982768360.db2.gz BOWAIOWBMHDEPF-IAOVAPTHSA-N -1 3 394.537 3.527 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001595862820 982800406 /nfs/dbraw/zinc/80/04/06/982800406.db2.gz MHLLNJNGROZJCG-QWHCGFSZSA-N -1 3 390.402 3.552 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595880530 982890628 /nfs/dbraw/zinc/89/06/28/982890628.db2.gz ZSPBMUYRLJHEIL-UHFFFAOYSA-N -1 3 385.867 3.907 20 0 GHADHM CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001596278467 983699916 /nfs/dbraw/zinc/69/99/16/983699916.db2.gz YAYFHGPBKXIISU-UHFFFAOYSA-N -1 3 396.896 3.681 20 0 GHADHM CCN1CC[C@H](NCc2cc(C)c(C(=O)[O-])o2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596410599 984001831 /nfs/dbraw/zinc/00/18/31/984001831.db2.gz QJAJPGMSRDBHDA-DOTOQJQBSA-N -1 3 382.382 3.629 20 0 GHADHM C[C@H]1CN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599926856 985214457 /nfs/dbraw/zinc/21/44/57/985214457.db2.gz IBVOVXQFROLVCD-KFKAGJAMSA-N -1 3 377.444 3.869 20 0 GHADHM CCO[C@@H]1C[C@@](NCc2nc(-c3c(F)cccc3F)cs2)(C(=O)[O-])C1(C)C ZINC001596838455 985506914 /nfs/dbraw/zinc/50/69/14/985506914.db2.gz SDSVUAOIERLGGN-AUUYWEPGSA-N -1 3 396.459 3.836 20 0 GHADHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594508400 985749234 /nfs/dbraw/zinc/74/92/34/985749234.db2.gz QXJJYMNNBZJRFZ-NHYWBVRUSA-N -1 3 397.928 3.511 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001594544204 986197875 /nfs/dbraw/zinc/19/78/75/986197875.db2.gz FESSGAANIPFPLL-WDGBRCNXSA-N -1 3 384.520 3.535 20 0 GHADHM C[C@H]1Cc2cc(CN[C@H](C(=O)[O-])c3ccc(Br)cc3)ccc2O1 ZINC001594616465 986636445 /nfs/dbraw/zinc/63/64/45/986636445.db2.gz VXRKBXZEHZZDPI-GTNSWQLSSA-N -1 3 376.250 3.688 20 0 GHADHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589439602 986776581 /nfs/dbraw/zinc/77/65/81/986776581.db2.gz JCQUATYOBUUFDR-KNXBSLHKSA-N -1 3 388.467 3.967 20 0 GHADHM CCOc1ccccc1N1CCN(Cc2c3ccccc3[nH]c2C(=O)[O-])CC1 ZINC001597178153 987024039 /nfs/dbraw/zinc/02/40/39/987024039.db2.gz AOZFRWPHHWOUFL-UHFFFAOYSA-N -1 3 379.460 3.587 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001589513229 987156126 /nfs/dbraw/zinc/15/61/26/987156126.db2.gz PQJHYCCXGMZMOQ-TWOQFEAHSA-N -1 3 381.476 3.517 20 0 GHADHM CCSc1ccccc1CN1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001597279710 987344012 /nfs/dbraw/zinc/34/40/12/987344012.db2.gz JDFLNKHZAYQDCM-MRXNPFEDSA-N -1 3 394.537 3.695 20 0 GHADHM CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001589815555 988253462 /nfs/dbraw/zinc/25/34/62/988253462.db2.gz PCMWAYXEWCUXSK-OAHLLOKOSA-N -1 3 398.463 3.566 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc([C@H](C)c3cccs3)no2)ccc1F ZINC000545026421 1015379920 /nfs/dbraw/zinc/37/99/20/1015379920.db2.gz KWPNYBQDENFBSV-LLVKDONJSA-N -1 3 395.481 3.776 20 0 GHADHM CSc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC001599811955 988353186 /nfs/dbraw/zinc/35/31/86/988353186.db2.gz LUESWDDGXQOJRL-KRWDZBQOSA-N -1 3 391.468 3.670 20 0 GHADHM CN(C(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1)c1ccccc1 ZINC001598004965 990154778 /nfs/dbraw/zinc/15/47/78/990154778.db2.gz ZRYXPVKDVTYIRQ-ACJLOTCBSA-N -1 3 390.842 3.590 20 0 GHADHM CC(C)(CCNc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)[O-] ZINC001590693492 990408624 /nfs/dbraw/zinc/40/86/24/990408624.db2.gz NHIIEMYDHWPKFI-UHFFFAOYSA-N -1 3 375.513 3.804 20 0 GHADHM CN(C)c1nc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(Cl)n1-c1ccccc1 ZINC001598349097 991444270 /nfs/dbraw/zinc/44/42/70/991444270.db2.gz VKMOQEXBWDYTHU-QRWLVFNGSA-N -1 3 390.915 3.715 20 0 GHADHM CC(C)C1CCC(N2CCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)CC2)CC1 ZINC001591082795 991600671 /nfs/dbraw/zinc/60/06/71/991600671.db2.gz YNRSXRLICGKTSP-UHFFFAOYSA-N -1 3 384.524 3.594 20 0 GHADHM CN(CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(C)(C)CC(=O)[O-] ZINC001598387352 991618588 /nfs/dbraw/zinc/61/85/88/991618588.db2.gz UNAAEJHQSAMOTL-HXUWFJFHSA-N -1 3 388.895 3.731 20 0 GHADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001598498852 992401856 /nfs/dbraw/zinc/40/18/56/992401856.db2.gz RZIDKROMKVHEJT-WEVVVXLNSA-N -1 3 391.370 3.617 20 0 GHADHM CN(Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598525698 992717865 /nfs/dbraw/zinc/71/78/65/992717865.db2.gz MYPKMXFPYPBISN-UHFFFAOYSA-N -1 3 386.354 3.887 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468559078 1015804942 /nfs/dbraw/zinc/80/49/42/1015804942.db2.gz GUQXZXXDMZZXJM-UHFFFAOYSA-N -1 3 381.451 3.973 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001593132094 993887569 /nfs/dbraw/zinc/88/75/69/993887569.db2.gz VEAGCZPHMLDBIW-HIFRSBDPSA-N -1 3 391.512 3.716 20 0 GHADHM COc1cccc(-c2nc(CN[C@](C)(Cc3ccc(F)cc3)C(=O)[O-])co2)c1 ZINC001599639714 994339441 /nfs/dbraw/zinc/33/94/41/994339441.db2.gz YHEPOTKDQMZVCQ-OAQYLSRUSA-N -1 3 384.407 3.665 20 0 GHADHM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001593288698 994658008 /nfs/dbraw/zinc/65/80/08/994658008.db2.gz MJLXXHKUMBXFEH-HNNXBMFYSA-N -1 3 377.444 3.826 20 0 GHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)[C@H](OC1CCOCC1)c1ccccc1 ZINC001593297202 994701014 /nfs/dbraw/zinc/70/10/14/994701014.db2.gz SZYDXSOUHIGHJO-VFNWGFHPSA-N -1 3 387.451 3.939 20 0 GHADHM C[C@@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1cccc(Cl)c1 ZINC001593410561 995181514 /nfs/dbraw/zinc/18/15/14/995181514.db2.gz CLTADKPUOZNXOR-QGZVFWFLSA-N -1 3 398.684 3.798 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)cc1)C(=O)[O-] ZINC001593616138 995844605 /nfs/dbraw/zinc/84/46/05/995844605.db2.gz XWNCIZGMAQWVFG-OAHLLOKOSA-N -1 3 390.430 3.529 20 0 GHADHM C[C@H](Oc1ccccc1CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1)C(=O)[O-] ZINC001593644912 995967938 /nfs/dbraw/zinc/96/79/38/995967938.db2.gz FEPPTEGPCUKUTI-XJKSGUPXSA-N -1 3 392.858 3.700 20 0 GHADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001593699563 996171061 /nfs/dbraw/zinc/17/10/61/996171061.db2.gz OCEWFGREBPDELR-PGGUUEOZSA-N -1 3 382.485 3.863 20 0 GHADHM C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593734544 996326203 /nfs/dbraw/zinc/32/62/03/996326203.db2.gz ZREJCDMFPSZKCU-GDIGMMSISA-N -1 3 395.434 3.661 20 0 GHADHM Cc1cccc(Cc2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000545598470 1016085267 /nfs/dbraw/zinc/08/52/67/1016085267.db2.gz LFCSQYNESUWAQJ-ZDUSSCGKSA-N -1 3 391.880 3.662 20 0 GHADHM COCc1cccc(OCC2(CN(C)Cc3ccc(C(=O)[O-])cn3)CCC2)c1 ZINC001599297441 997170758 /nfs/dbraw/zinc/17/07/58/997170758.db2.gz NSGVGUMJKXPHCK-UHFFFAOYSA-N -1 3 384.476 3.607 20 0 GHADHM CC1(C)SC[C@@H]1NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001593988817 997244802 /nfs/dbraw/zinc/24/48/02/997244802.db2.gz YFZWODRCZPDEFI-ZDUSSCGKSA-N -1 3 386.304 3.861 20 0 GHADHM CO[C@@H]1CCC[C@H]([C@H](NCc2cc(-c3ccccc3Cl)on2)C(=O)[O-])C1 ZINC001599108866 997530307 /nfs/dbraw/zinc/53/03/07/997530307.db2.gz MCRGRRSTFASBDV-WRSAYESZSA-N -1 3 378.856 3.743 20 0 GHADHM COc1ccc([C@H](NC2CC(CC(=O)[O-])C2)c2ccc(OC)cc2OC)cc1 ZINC001599529534 997625198 /nfs/dbraw/zinc/62/51/98/997625198.db2.gz ZOZMHKRBDSMPBS-AWBPIWROSA-N -1 3 385.460 3.645 20 0 GHADHM COc1cc(Br)ccc1[C@@H](C)NCCOc1ccccc1C(=O)[O-] ZINC001599347177 998028602 /nfs/dbraw/zinc/02/86/02/998028602.db2.gz CQMVMEGDPMDNGP-GFCCVEGCSA-N -1 3 394.265 3.886 20 0 GHADHM CCc1ccc2c(c1)[C@@H](CCNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N2 ZINC000468990517 1016313521 /nfs/dbraw/zinc/31/35/21/1016313521.db2.gz PVRUWLILAZXLAM-MRXNPFEDSA-N -1 3 384.451 3.659 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCN1CCc2c(Cl)cccc2C1 ZINC000469672644 1016595937 /nfs/dbraw/zinc/59/59/37/1016595937.db2.gz VKKSCVXHBFIRJX-UHFFFAOYSA-N -1 3 390.886 3.682 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)c1 ZINC000546558981 1016671170 /nfs/dbraw/zinc/67/11/70/1016671170.db2.gz CWQTVJQNMQHHRG-ZDUSSCGKSA-N -1 3 388.807 3.939 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cn(CCCCCF)c3ccccc23)[n-]1 ZINC001154560532 1032182529 /nfs/dbraw/zinc/18/25/29/1032182529.db2.gz GKOBPWMMGBSIJH-UHFFFAOYSA-N -1 3 386.427 3.933 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cn(CCCCCF)c3ccccc23)c[n-]1 ZINC001154560532 1032182539 /nfs/dbraw/zinc/18/25/39/1032182539.db2.gz GKOBPWMMGBSIJH-UHFFFAOYSA-N -1 3 386.427 3.933 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)/C=C\[C@]3(C)CC[C@H](C)C3(C)C)C2)n1 ZINC001155148020 1032435588 /nfs/dbraw/zinc/43/55/88/1032435588.db2.gz GNJFQJLTJDKJFN-QOEHTDQMSA-N -1 3 386.540 3.594 20 0 GHADHM CCOC(=O)[C@@H](C)[C@@H](Oc1c([O-])cc(Br)cc1F)C(F)(F)F ZINC001227586608 1032474980 /nfs/dbraw/zinc/47/49/80/1032474980.db2.gz BRRDVRKDDIQASW-UPONEAKYSA-N -1 3 389.139 3.803 20 0 GHADHM O=c1cc(O[C@@H]2CCCN(Cc3cnc(Cl)s3)C2)[n-]c(C(F)(F)F)c1 ZINC001227584143 1032472777 /nfs/dbraw/zinc/47/27/77/1032472777.db2.gz QKBRLXOWTOXPKD-SNVBAGLBSA-N -1 3 393.818 3.959 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1ncccc1Br ZINC000562487541 1018211939 /nfs/dbraw/zinc/21/19/39/1018211939.db2.gz CPXPKSHEPLFXND-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001228130465 1032799559 /nfs/dbraw/zinc/79/95/59/1032799559.db2.gz BILGUMRMFMZKLD-AWEZNQCLSA-N -1 3 391.464 3.852 20 0 GHADHM COC(=O)c1ncc2n1CCC[C@@H]2Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228153964 1032812175 /nfs/dbraw/zinc/81/21/75/1032812175.db2.gz IFQVQWCNORMQBE-SFHVURJKSA-N -1 3 392.411 3.520 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000566433218 1019226350 /nfs/dbraw/zinc/22/63/50/1019226350.db2.gz PRCPKEXSSJUPDL-UHFFFAOYSA-N -1 3 377.366 3.883 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(Cl)cc1 ZINC000567116512 1019268724 /nfs/dbraw/zinc/26/87/24/1019268724.db2.gz AFOVGVCZQPWYFS-MSOLQXFVSA-N -1 3 381.881 3.823 20 0 GHADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000155759952 1019544677 /nfs/dbraw/zinc/54/46/77/1019544677.db2.gz VKIWVOWCVZDHQL-UKRRQHHQSA-N -1 3 386.414 3.538 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1 ZINC001156066611 1032861001 /nfs/dbraw/zinc/86/10/01/1032861001.db2.gz JKAWECJGERKHOJ-UHFFFAOYSA-N -1 3 393.369 3.936 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1C ZINC000576072491 1019976800 /nfs/dbraw/zinc/97/68/00/1019976800.db2.gz KHNPOBNRTFRAJQ-UXHICEINSA-N -1 3 375.490 3.787 20 0 GHADHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000190194812 1020634495 /nfs/dbraw/zinc/63/44/95/1020634495.db2.gz UQKZKSKLODTYCQ-CTJICSLTSA-N -1 3 391.240 3.514 20 0 GHADHM Cc1ccc2nccc(N3CCC(n4nnc(C(=O)[O-])c4C(F)F)CC3)c2c1 ZINC000630462040 1020825602 /nfs/dbraw/zinc/82/56/02/1020825602.db2.gz JXOFCYFEMYNLNB-UHFFFAOYSA-N -1 3 387.390 3.612 20 0 GHADHM CO[C@@H](COC(=O)c1ccc(I)c([O-])c1)c1ccccc1 ZINC000801857567 1021444610 /nfs/dbraw/zinc/44/46/10/1021444610.db2.gz IFQQPWGSDUZWAY-HNNXBMFYSA-N -1 3 398.196 3.541 20 0 GHADHM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000901957500 1021467500 /nfs/dbraw/zinc/46/75/00/1021467500.db2.gz QYYHCEVBERCAHA-DKBRWSJVSA-N -1 3 382.460 3.675 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc3cc4c(cc3[nH]2)OCO4)c([O-])c1 ZINC001156320116 1032983557 /nfs/dbraw/zinc/98/35/57/1032983557.db2.gz FSHDTYSZEBRINI-UHFFFAOYSA-N -1 3 396.399 3.810 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC3(CCSCC3)CC2)c(-c2ccccc2)n1 ZINC000902496828 1021510464 /nfs/dbraw/zinc/51/04/64/1021510464.db2.gz LVUSTHXSGAWVKA-UHFFFAOYSA-N -1 3 385.533 3.744 20 0 GHADHM O=C([O-])c1cnc([C@@H]2CCN(CCOc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000903924797 1021656121 /nfs/dbraw/zinc/65/61/21/1021656121.db2.gz PRBSIEDEIDJGLB-LLVKDONJSA-N -1 3 386.395 3.728 20 0 GHADHM Cc1cccc(C)c1CN(CC(C)C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000826946461 1021851258 /nfs/dbraw/zinc/85/12/58/1021851258.db2.gz ODAXKRZTVKVFHR-UHFFFAOYSA-N -1 3 383.418 3.808 20 0 GHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCN(C(=O)OC(C)(C)C)C1 ZINC001140547230 1021948464 /nfs/dbraw/zinc/94/84/64/1021948464.db2.gz CSGJQWXFMZGFQF-ZDUSSCGKSA-N -1 3 399.329 3.844 20 0 GHADHM COc1ccccc1O[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC001140548465 1021949924 /nfs/dbraw/zinc/94/99/24/1021949924.db2.gz MSEHHIFWYKRGBO-CQSZACIVSA-N -1 3 378.266 3.817 20 0 GHADHM O=C1CN(Cc2cccc([O-])c2Br)CCN1c1ccc(Cl)cc1 ZINC001140552636 1021955718 /nfs/dbraw/zinc/95/57/18/1021955718.db2.gz JWPJGUDZDWDGFP-UHFFFAOYSA-N -1 3 395.684 3.657 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3c(F)cccc3F)CC2)c1Br ZINC001140553283 1021956896 /nfs/dbraw/zinc/95/68/96/1021956896.db2.gz YTLBZXQYFPJXMY-UHFFFAOYSA-N -1 3 397.263 3.751 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3ccc(F)cn3)CC2)c1Br ZINC001140555439 1021958732 /nfs/dbraw/zinc/95/87/32/1021958732.db2.gz ILBUFFXEVNIPCZ-UHFFFAOYSA-N -1 3 381.245 3.732 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CC(C(=O)OCc2ccccc2)C1 ZINC001228628354 1033018649 /nfs/dbraw/zinc/01/86/49/1033018649.db2.gz JZJCLYCEIYVCLM-UHFFFAOYSA-N -1 3 380.396 3.708 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CCC[C@@H]1C1CC1 ZINC000679554105 1022013837 /nfs/dbraw/zinc/01/38/37/1022013837.db2.gz VYZMUPCZCWDOQA-NHCUHLMSSA-N -1 3 378.472 3.654 20 0 GHADHM COc1cc(C(=O)OCc2csc(-c3cccs3)n2)cc(OC)c1[O-] ZINC000754260208 1022566307 /nfs/dbraw/zinc/56/63/07/1022566307.db2.gz MAMDQPAGXOHLFP-UHFFFAOYSA-N -1 3 377.443 3.951 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000754270593 1022572886 /nfs/dbraw/zinc/57/28/86/1022572886.db2.gz WTHXZNMQTANHGV-VQHVLOKHSA-N -1 3 385.308 3.979 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@]3(C)CC3(Cl)Cl)cc2)cc(=O)[n-]1 ZINC000836232355 1022752425 /nfs/dbraw/zinc/75/24/25/1022752425.db2.gz SHQSJFUEUOEZLN-INIZCTEOSA-N -1 3 381.263 3.863 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cc3ccccc3s2)ccc1F ZINC000754808661 1022907873 /nfs/dbraw/zinc/90/78/73/1022907873.db2.gz RAUBRMDQBQDMBA-UHFFFAOYSA-N -1 3 379.434 3.769 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)o1 ZINC001140946882 1022956743 /nfs/dbraw/zinc/95/67/43/1022956743.db2.gz JMFMTJIDEJDHGZ-UHFFFAOYSA-N -1 3 396.487 3.742 20 0 GHADHM Cc1cc(NC(=O)[N-]O[C@H](CO)C(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000836492710 1023029217 /nfs/dbraw/zinc/02/92/17/1023029217.db2.gz HXCNGVVVIINVHS-CQSZACIVSA-N -1 3 387.267 3.558 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000755167361 1023106272 /nfs/dbraw/zinc/10/62/72/1023106272.db2.gz UMSSFZFRSXVRKR-MRXNPFEDSA-N -1 3 388.851 3.688 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3scnc3Br)c2)n1 ZINC000755692677 1023338483 /nfs/dbraw/zinc/33/84/83/1023338483.db2.gz UMBPQRPFOWIDRN-UHFFFAOYSA-N -1 3 392.234 3.596 20 0 GHADHM Cc1ccnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000755837200 1023398208 /nfs/dbraw/zinc/39/82/08/1023398208.db2.gz AXBVPRWLEWZXOV-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM CCOC(=O)C(F)(F)[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228856071 1033137590 /nfs/dbraw/zinc/13/75/90/1033137590.db2.gz VHROIGGYUSSNJG-GOSISDBHSA-N -1 3 376.355 3.840 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nc(-c2cccnc2)ns1 ZINC000756721281 1023788471 /nfs/dbraw/zinc/78/84/71/1023788471.db2.gz FWZKNMGMKXTRDE-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM CCOC(=O)c1sc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(F)cc2)nc1C ZINC000757025372 1023911393 /nfs/dbraw/zinc/91/13/93/1023911393.db2.gz WUSMMIFOOAYLHI-SNVBAGLBSA-N -1 3 386.395 3.737 20 0 GHADHM Cc1nc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)oc1-c1ccc(Cl)cc1 ZINC000757045061 1023918197 /nfs/dbraw/zinc/91/81/97/1023918197.db2.gz GXBHWGRPVYIGMO-UHFFFAOYSA-N -1 3 387.823 3.702 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1cc(F)ccc1C(F)(F)F ZINC001138093363 1024056617 /nfs/dbraw/zinc/05/66/17/1024056617.db2.gz ABLDQVRBIFTDOQ-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cc(F)ccc1C(F)(F)F ZINC001138093363 1024056636 /nfs/dbraw/zinc/05/66/36/1024056636.db2.gz ABLDQVRBIFTDOQ-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000837120360 1024077595 /nfs/dbraw/zinc/07/75/95/1024077595.db2.gz FTKBTMCTWRZMTG-RHSMWYFYSA-N -1 3 384.476 3.969 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000837122917 1024082782 /nfs/dbraw/zinc/08/27/82/1024082782.db2.gz ATBMGYWDEJLMGT-LBPRGKRZSA-N -1 3 396.793 3.621 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc4sccc4c([O-])c3)[C@@H]2C1 ZINC000837142950 1024136205 /nfs/dbraw/zinc/13/62/05/1024136205.db2.gz YAGQVRRTOMVNAN-SWLSCSKDSA-N -1 3 388.489 3.688 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000837239043 1024268717 /nfs/dbraw/zinc/26/87/17/1024268717.db2.gz JHOGVZGMRIDSHK-HOCLYGCPSA-N -1 3 376.497 3.578 20 0 GHADHM O=C(CCc1cc(Br)cs1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837511313 1024516586 /nfs/dbraw/zinc/51/65/86/1024516586.db2.gz YSSJLQLKWBBMCU-UHFFFAOYSA-N -1 3 383.267 3.560 20 0 GHADHM COc1ccc2nc(Cl)c(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)cc2c1 ZINC000837613688 1024587341 /nfs/dbraw/zinc/58/73/41/1024587341.db2.gz WHNOXQRCINOVDK-UHFFFAOYSA-N -1 3 385.807 3.627 20 0 GHADHM Cc1nccnc1O[C@H]1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141360909 1024712270 /nfs/dbraw/zinc/71/22/70/1024712270.db2.gz RDMCPTJWHRQUSC-NRFANRHFSA-N -1 3 389.455 3.804 20 0 GHADHM Cc1cncnc1O[C@H]1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141360768 1024712343 /nfs/dbraw/zinc/71/23/43/1024712343.db2.gz KCSBGVQLNIACLG-NRFANRHFSA-N -1 3 389.455 3.804 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC3(CC2)OCCc2ccsc23)c1 ZINC000831828356 1024913173 /nfs/dbraw/zinc/91/31/73/1024913173.db2.gz LTCDLYLHRKXGBO-UHFFFAOYSA-N -1 3 375.515 3.880 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)/C=C/C3(C)CCOCC3)nc(=O)c2c1C ZINC000838195185 1024990101 /nfs/dbraw/zinc/99/01/01/1024990101.db2.gz UFZHYUCUIXBJRU-FYJFLYSWSA-N -1 3 376.478 3.991 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001141436633 1025052302 /nfs/dbraw/zinc/05/23/02/1025052302.db2.gz DCZVSFNRURDYJT-CQSZACIVSA-N -1 3 389.249 3.667 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000832226679 1025350442 /nfs/dbraw/zinc/35/04/42/1025350442.db2.gz DIPJQZLCLBLKGU-FQEVSTJZSA-N -1 3 392.521 3.587 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2cccc([O-])c2Br)C1 ZINC000839076332 1025570985 /nfs/dbraw/zinc/57/09/85/1025570985.db2.gz URXMSVVXKREAER-GOSISDBHSA-N -1 3 399.329 3.891 20 0 GHADHM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1ccncc1C(F)(F)F ZINC001461015856 1069337746 /nfs/dbraw/zinc/33/77/46/1069337746.db2.gz FKHCGSDZEZMRPS-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H]2CCc3ccccc3OC2)s1 ZINC001139038004 1025815311 /nfs/dbraw/zinc/81/53/11/1025815311.db2.gz XEMJUXAUBXKTQR-ZDUSSCGKSA-N -1 3 389.477 3.614 20 0 GHADHM CCCCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3[O-])CC2=O)cc1 ZINC001141649513 1026055641 /nfs/dbraw/zinc/05/56/41/1026055641.db2.gz OWZBMLLXZQMOLD-KRWDZBQOSA-N -1 3 394.471 3.929 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)c1[O-] ZINC001141651623 1026074789 /nfs/dbraw/zinc/07/47/89/1026074789.db2.gz NMZCEVKGNXFSSC-UHFFFAOYSA-N -1 3 384.432 3.628 20 0 GHADHM O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc([O-])c1F ZINC001139312146 1026170243 /nfs/dbraw/zinc/17/02/43/1026170243.db2.gz JOQDBMASCUIFCG-UHFFFAOYSA-N -1 3 395.434 3.581 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001163850114 1026338439 /nfs/dbraw/zinc/33/84/39/1026338439.db2.gz HIERMVUBFULLDS-QPJJXVBHSA-N -1 3 396.894 3.799 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1cc(Cl)nc2cccc(Br)c21 ZINC001164384271 1026503338 /nfs/dbraw/zinc/50/33/38/1026503338.db2.gz ZSFMQXQRWAAWPY-VIFPVBQESA-N -1 3 381.661 3.575 20 0 GHADHM CS(=O)(=O)c1ccc(CSc2nnc([N-]c3ccccc3F)s2)o1 ZINC001164526718 1026543582 /nfs/dbraw/zinc/54/35/82/1026543582.db2.gz ZJQBWWRSKJJLQQ-UHFFFAOYSA-N -1 3 385.467 3.710 20 0 GHADHM O=c1[n-]nc(SCc2ccc3c(c2)OC(F)(F)O3)n1CCc1ccccc1 ZINC001164547759 1026549908 /nfs/dbraw/zinc/54/99/08/1026549908.db2.gz NLEBNEFQGLNFBY-UHFFFAOYSA-N -1 3 391.399 3.840 20 0 GHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CCC23CCCC3)nc1 ZINC001165280208 1026690828 /nfs/dbraw/zinc/69/08/28/1026690828.db2.gz PLUBRJRVTDISTI-UHFFFAOYSA-N -1 3 379.432 3.684 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001165396742 1026717169 /nfs/dbraw/zinc/71/71/69/1026717169.db2.gz ITCZWTYEGSLSAA-ZUZCIYMTSA-N -1 3 377.282 3.845 20 0 GHADHM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cnn(-c2ccncc2)c1 ZINC001140211942 1026986335 /nfs/dbraw/zinc/98/63/35/1026986335.db2.gz MXNLUFCQANPTRI-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM COc1cc(C(C)=O)cc(OC)c1OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001166406220 1026995849 /nfs/dbraw/zinc/99/58/49/1026995849.db2.gz ABTZMFWIEDFIEB-UHFFFAOYSA-N -1 3 380.400 3.648 20 0 GHADHM Cc1nnsc1[C@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001166558089 1027027173 /nfs/dbraw/zinc/02/71/73/1027027173.db2.gz YDSOEFHYOCUMGK-NSHDSACASA-N -1 3 384.490 3.593 20 0 GHADHM CC(C)(CCS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC001209812956 1027210100 /nfs/dbraw/zinc/21/01/00/1027210100.db2.gz GJPKIUBPQWFKEM-UHFFFAOYSA-N -1 3 383.901 3.636 20 0 GHADHM CC(C)(C)N(c1ccc([O-])c(C(F)(F)F)c1)S(=O)(=O)c1ccc(N)cc1 ZINC001209986169 1027303053 /nfs/dbraw/zinc/30/30/53/1027303053.db2.gz RQKPEKGZZGLCOZ-UHFFFAOYSA-N -1 3 388.411 3.987 20 0 GHADHM CSc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2N)c(F)c1 ZINC001210873723 1027687023 /nfs/dbraw/zinc/68/70/23/1027687023.db2.gz NVKKCHXKPOMGBW-UHFFFAOYSA-N -1 3 391.287 3.693 20 0 GHADHM CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)c1c([O-])cccc1OC ZINC001141944331 1027723308 /nfs/dbraw/zinc/72/33/08/1027723308.db2.gz HVGFGVJFEHQITI-UHFFFAOYSA-N -1 3 393.487 3.700 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CCCCc1ccccc1)c1ccccc1 ZINC001141998175 1027847615 /nfs/dbraw/zinc/84/76/15/1027847615.db2.gz KAIZHYBFTFLURY-UHFFFAOYSA-N -1 3 398.470 3.931 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CCCCc1ccccc1)c1ccccc1 ZINC001141998175 1027847634 /nfs/dbraw/zinc/84/76/34/1027847634.db2.gz KAIZHYBFTFLURY-UHFFFAOYSA-N -1 3 398.470 3.931 20 0 GHADHM O=S(=O)([N-]C1(CCOCc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC001211409913 1027946961 /nfs/dbraw/zinc/94/69/61/1027946961.db2.gz UIAUCKODRMTIEZ-UHFFFAOYSA-N -1 3 383.872 3.897 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Cl)ccc1Br ZINC001213208849 1028045764 /nfs/dbraw/zinc/04/57/64/1028045764.db2.gz NCWULZLUJKUNHB-OUAUKWLOSA-N -1 3 378.719 3.817 20 0 GHADHM O=c1cc(-c2nc(-c3cccc(Br)c3F)no2)nc(C2CC2)[n-]1 ZINC001213258883 1028073856 /nfs/dbraw/zinc/07/38/56/1028073856.db2.gz IHMUXPSSXGKMLS-UHFFFAOYSA-N -1 3 377.173 3.678 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)C[C@@H]1F ZINC001142105586 1028115020 /nfs/dbraw/zinc/11/50/20/1028115020.db2.gz GKHPEWDMADGXCQ-KBPBESRZSA-N -1 3 379.259 3.746 20 0 GHADHM O=C1N(CC2CC2)CC[C@]12CCCN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142109204 1028126223 /nfs/dbraw/zinc/12/62/23/1028126223.db2.gz JBDBNMMOJRBNDB-IBGZPJMESA-N -1 3 383.319 3.924 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](n2cc(Nc3cc(F)c([O-])c(F)c3)cn2)C1 ZINC001213377332 1028148626 /nfs/dbraw/zinc/14/86/26/1028148626.db2.gz JUKLJIANJWPVEQ-CYBMUJFWSA-N -1 3 380.395 3.792 20 0 GHADHM COc1cccc(F)c1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001213883683 1028426956 /nfs/dbraw/zinc/42/69/56/1028426956.db2.gz UPRDJHSWTLCGQL-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)cccc21 ZINC001213890939 1028433394 /nfs/dbraw/zinc/43/33/94/1028433394.db2.gz FWSLCOVVSXCXMK-OAHLLOKOSA-N -1 3 379.384 3.822 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(Br)c3F)no2)[n-]1 ZINC001213975173 1028484752 /nfs/dbraw/zinc/48/47/52/1028484752.db2.gz VUMBILPTBFSLFF-UHFFFAOYSA-N -1 3 380.173 3.810 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3OC)no2)[n-]1 ZINC001213975216 1028485545 /nfs/dbraw/zinc/48/55/45/1028485545.db2.gz XWJREVHANATXPC-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(NCc3cc(=O)[n-]c(C4CC4)n3)cc2C1 ZINC000841695285 1028847632 /nfs/dbraw/zinc/84/76/32/1028847632.db2.gz QFPYHOKYNWVAPZ-UHFFFAOYSA-N -1 3 396.491 3.965 20 0 GHADHM Cc1cc(C)cc(C[C@@H](NCc2cnn(Cc3ccccc3)c2Cl)C(=O)[O-])c1 ZINC000841799355 1028944748 /nfs/dbraw/zinc/94/47/48/1028944748.db2.gz TVLFUKMUIKXTCN-HXUWFJFHSA-N -1 3 397.906 3.987 20 0 GHADHM CN1CCN(Cc2cccc(-c3noc(-c4cc(Cl)ccc4[O-])n3)c2)CC1 ZINC001215151762 1029063281 /nfs/dbraw/zinc/06/32/81/1029063281.db2.gz KVLZHGUZIYUSIQ-UHFFFAOYSA-N -1 3 384.867 3.510 20 0 GHADHM O=S(=O)(c1ccccc1)c1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1 ZINC001215302009 1029139995 /nfs/dbraw/zinc/13/99/95/1029139995.db2.gz OBVWTFQNGDSTNV-UHFFFAOYSA-N -1 3 394.408 3.648 20 0 GHADHM CN1C(=O)C2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC001142654357 1029212060 /nfs/dbraw/zinc/21/20/60/1029212060.db2.gz YVOXXUBWOFTTDC-IBGZPJMESA-N -1 3 398.890 3.834 20 0 GHADHM COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1cc(F)c([O-])cc1F ZINC001215576337 1029290762 /nfs/dbraw/zinc/29/07/62/1029290762.db2.gz WHEYUAXDHOOAEA-UHFFFAOYSA-N -1 3 375.375 3.579 20 0 GHADHM Cc1ccc(F)c(N(c2ncccc2C)S(=O)(=O)c2ccc(N)cc2)c1[O-] ZINC001215742627 1029376319 /nfs/dbraw/zinc/37/63/19/1029376319.db2.gz JOFAOSRTJIYZRP-UHFFFAOYSA-N -1 3 387.436 3.652 20 0 GHADHM Cc1cc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)ccc1Br ZINC001216104206 1029525584 /nfs/dbraw/zinc/52/55/84/1029525584.db2.gz PJCQBNVTNNSDTO-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)ccc1Br ZINC001216104206 1029525593 /nfs/dbraw/zinc/52/55/93/1029525593.db2.gz PJCQBNVTNNSDTO-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)c2)n1 ZINC000842724699 1029536369 /nfs/dbraw/zinc/53/63/69/1029536369.db2.gz ZDVLHECTXUFAHF-QGZVFWFLSA-N -1 3 386.448 3.677 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1ccc(N2CCNC2=O)cc1 ZINC000842740282 1029546858 /nfs/dbraw/zinc/54/68/58/1029546858.db2.gz NPCDPIWEYLQECM-GFCCVEGCSA-N -1 3 390.281 3.535 20 0 GHADHM Nc1ccc(S(=O)(=O)N(c2nccs2)c2ccc([O-])cc2Cl)cc1 ZINC001216429481 1029635728 /nfs/dbraw/zinc/63/57/28/1029635728.db2.gz UTSRTLMPKDDVHW-UHFFFAOYSA-N -1 3 381.866 3.611 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nc([C@H](N)C(C)C)no3)c2)c1 ZINC000843154559 1029834725 /nfs/dbraw/zinc/83/47/25/1029834725.db2.gz YTHLCZVJSSCARM-QGZVFWFLSA-N -1 3 386.477 3.502 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2ccc(Cl)cc2Br)no1 ZINC001216727175 1029907217 /nfs/dbraw/zinc/90/72/17/1029907217.db2.gz RYCBMIQVGAEKDF-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM Cc1nccn1CC(=O)c1cccc(-c2noc(-c3c(F)ccc([O-])c3F)n2)c1 ZINC001216920186 1030002342 /nfs/dbraw/zinc/00/23/42/1030002342.db2.gz IYMIRHLYTSKWLM-UHFFFAOYSA-N -1 3 396.353 3.775 20 0 GHADHM COc1ccc(-c2noc(-c3cc([O-])ccc3I)n2)cc1 ZINC001216943124 1030016140 /nfs/dbraw/zinc/01/61/40/1030016140.db2.gz KLONBYQFUIDFRX-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM CCOc1cccc(-c2nc(-c3nc(OC)ccc3Br)no2)c1[O-] ZINC001216959819 1030033292 /nfs/dbraw/zinc/03/32/92/1030033292.db2.gz WIWIXEQOGAENGM-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2cccc(OCCO)c2[O-])n1 ZINC001216959496 1030033606 /nfs/dbraw/zinc/03/36/06/1030033606.db2.gz RTXDYLOXIWHMNO-UHFFFAOYSA-N -1 3 396.321 3.687 20 0 GHADHM COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149197752 1030088155 /nfs/dbraw/zinc/08/81/55/1030088155.db2.gz OWEGLTKLIZSNCY-OAHLLOKOSA-N -1 3 392.455 3.843 20 0 GHADHM COc1ccc(Br)cc1-c1noc(-c2ccc([O-])cc2OC)n1 ZINC001217085683 1030151838 /nfs/dbraw/zinc/15/18/38/1030151838.db2.gz VEUAGRUCQUXPJA-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1ccc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c([O-])c1 ZINC001149662075 1030260767 /nfs/dbraw/zinc/26/07/67/1030260767.db2.gz JOAAOWDYRBTDDV-SNVBAGLBSA-N -1 3 382.229 3.663 20 0 GHADHM Brc1ccc2[n-]c(-c3nc(-c4ccc5nccnc5c4)no3)nc2c1 ZINC001217322287 1030308419 /nfs/dbraw/zinc/30/84/19/1030308419.db2.gz XTZIPARLTAZXDZ-UHFFFAOYSA-N -1 3 393.204 3.986 20 0 GHADHM Brc1ccc2nc(-c3nc(-c4ccc5nccnc5c4)no3)[n-]c2c1 ZINC001217322287 1030308436 /nfs/dbraw/zinc/30/84/36/1030308436.db2.gz XTZIPARLTAZXDZ-UHFFFAOYSA-N -1 3 393.204 3.986 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)C1=O ZINC001217355480 1030331394 /nfs/dbraw/zinc/33/13/94/1030331394.db2.gz UYGXMAMQWWSWSD-UHFFFAOYSA-N -1 3 394.696 3.606 20 0 GHADHM Cc1ccc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)cc1Br ZINC001217354322 1030331624 /nfs/dbraw/zinc/33/16/24/1030331624.db2.gz FFJVGGQKEVCDDF-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001217470712 1030418909 /nfs/dbraw/zinc/41/89/09/1030418909.db2.gz BEQODKPYYWWJAO-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cccc(OC(F)F)c4)no3)n[n-]c21 ZINC001217470712 1030418918 /nfs/dbraw/zinc/41/89/18/1030418918.db2.gz BEQODKPYYWWJAO-UHFFFAOYSA-N -1 3 386.314 3.668 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001217470811 1030419403 /nfs/dbraw/zinc/41/94/03/1030419403.db2.gz GWBKTMUCELXNMK-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4cc(F)c(Cl)c(F)c4)no3)n[n-]c21 ZINC001217470811 1030419413 /nfs/dbraw/zinc/41/94/13/1030419413.db2.gz GWBKTMUCELXNMK-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cc(Cl)cnc4OC)no3)c2c1 ZINC001217500068 1030442311 /nfs/dbraw/zinc/44/23/11/1030442311.db2.gz RQCGZVCELIAPKM-UHFFFAOYSA-N -1 3 384.779 3.723 20 0 GHADHM [O-]c1cnc2ccc(Br)cc2c1-c1nc(-c2cc(F)ccn2)no1 ZINC001217501385 1030444151 /nfs/dbraw/zinc/44/41/51/1030444151.db2.gz PECGABYFUKUQIW-UHFFFAOYSA-N -1 3 387.168 3.954 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc5sc(C)nc5c4)no3)c21 ZINC001217512480 1030454411 /nfs/dbraw/zinc/45/44/11/1030454411.db2.gz OMDWRPONIMMRNE-UHFFFAOYSA-N -1 3 391.412 3.985 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC001150369782 1030509951 /nfs/dbraw/zinc/50/99/51/1030509951.db2.gz XMVVIBUTBHOOIR-HNNXBMFYSA-N -1 3 386.423 3.686 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c([O-])c1 ZINC001150956524 1030721376 /nfs/dbraw/zinc/72/13/76/1030721376.db2.gz GNAAWHQOWJGKKT-UHFFFAOYSA-N -1 3 381.384 3.706 20 0 GHADHM C[C@H]1CC[NH2+]CC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001218029018 1030732146 /nfs/dbraw/zinc/73/21/46/1030732146.db2.gz JDHPAFYAZWPINF-SUMWQHHRSA-N -1 3 381.428 3.638 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc(Cl)nnc1Cl ZINC001151364124 1030878614 /nfs/dbraw/zinc/87/86/14/1030878614.db2.gz AJNYJVPVHRYRJH-UHFFFAOYSA-N -1 3 379.203 3.694 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ncccc1OC(F)(F)F ZINC001151364464 1030878708 /nfs/dbraw/zinc/87/87/08/1030878708.db2.gz IHLYASKBDJFNRG-UHFFFAOYSA-N -1 3 393.321 3.891 20 0 GHADHM O=C(Nc1cnc2ccc(O)cc2c1)c1nc2cc(Br)ccc2[n-]1 ZINC001151821170 1031019694 /nfs/dbraw/zinc/01/96/94/1031019694.db2.gz HTJCTXOFWZOAOI-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(Nc1cnc2ccc(O)cc2c1)c1nc2ccc(Br)cc2[n-]1 ZINC001151821170 1031019714 /nfs/dbraw/zinc/01/97/14/1031019714.db2.gz HTJCTXOFWZOAOI-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM O=C(Nc1cnc2c(cccc2C(F)(F)F)c1)c1cccc2c1[N-]C(=O)C2=O ZINC001152450121 1031247809 /nfs/dbraw/zinc/24/78/09/1031247809.db2.gz KDCCXPBXPYHGMQ-UHFFFAOYSA-N -1 3 385.301 3.641 20 0 GHADHM CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001152513564 1031265095 /nfs/dbraw/zinc/26/50/95/1031265095.db2.gz KUSNKKYZIMDDTD-LBPRGKRZSA-N -1 3 397.497 3.508 20 0 GHADHM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)[C@@H](N)CC1CCC1 ZINC001219321413 1031356963 /nfs/dbraw/zinc/35/69/63/1031356963.db2.gz QLHAEEVUPCOXKZ-LBPRGKRZSA-N -1 3 398.347 3.763 20 0 GHADHM CC/C=C(\C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])c1csc(N)n1 ZINC001219358600 1031376087 /nfs/dbraw/zinc/37/60/87/1031376087.db2.gz MMWHJQDKHHRQPL-SDQBBNPISA-N -1 3 389.477 3.818 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cncc3ccccc32)c(Cl)c1 ZINC001153244817 1031508909 /nfs/dbraw/zinc/50/89/09/1031508909.db2.gz ZXGLEYZWIRMIPV-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM O=C(c1c([O-])ccc2ccccc21)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001153506137 1031622999 /nfs/dbraw/zinc/62/29/99/1031622999.db2.gz RGQPOJAKXCLLOK-WMZOPIPTSA-N -1 3 393.512 3.739 20 0 GHADHM C[C@H]1CCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)CCC1(F)F ZINC001153873964 1031785392 /nfs/dbraw/zinc/78/53/92/1031785392.db2.gz MBNIRYVOHMAFIW-JTQLQIEISA-N -1 3 399.235 3.798 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)c(C)cc2Br)c(=O)[n-]1 ZINC001153881330 1031789910 /nfs/dbraw/zinc/78/99/10/1031789910.db2.gz VVRNROCWSYPFDG-UHFFFAOYSA-N -1 3 384.661 3.705 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1[n-]c(=S)ncc1C1CC1)CS2 ZINC001226117083 1031796087 /nfs/dbraw/zinc/79/60/87/1031796087.db2.gz JKHCPPMUQDPRLM-LBPRGKRZSA-N -1 3 395.550 3.517 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=S)ncc2C2CC2)C(F)(F)C1 ZINC001226118009 1031797430 /nfs/dbraw/zinc/79/74/30/1031797430.db2.gz ZCUXANKTFOUEDP-LBPRGKRZSA-N -1 3 387.452 3.666 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC001154068304 1031908789 /nfs/dbraw/zinc/90/87/89/1031908789.db2.gz WFCCMRPZSLAPRG-OIISXLGYSA-N -1 3 379.460 3.510 20 0 GHADHM O=C(CCCc1ccccc1)Nc1ccc(I)cc1[O-] ZINC001154104831 1031929732 /nfs/dbraw/zinc/92/97/32/1031929732.db2.gz WMUTUOYBNNOLPF-UHFFFAOYSA-N -1 3 381.213 3.958 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc4c(Cl)ccnc34)[n-]nc21 ZINC001154146959 1031951029 /nfs/dbraw/zinc/95/10/29/1031951029.db2.gz KGHVZRIFLIATBX-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3cccc4c(Cl)ccnc34)n[n-]c21 ZINC001154146959 1031951035 /nfs/dbraw/zinc/95/10/35/1031951035.db2.gz KGHVZRIFLIATBX-UHFFFAOYSA-N -1 3 380.791 3.803 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC001226477916 1031973140 /nfs/dbraw/zinc/97/31/40/1031973140.db2.gz AGXZADJTXSVXMZ-LRDDRELGSA-N -1 3 379.453 3.715 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)OC(C)(C)C)c1O ZINC001226478921 1031974347 /nfs/dbraw/zinc/97/43/47/1031974347.db2.gz JRWQFAHJVUVBPQ-XTBFLFJDSA-N -1 3 395.427 3.558 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001226478825 1031974510 /nfs/dbraw/zinc/97/45/10/1031974510.db2.gz JDZGXFKGYLNRHW-WBMJQRKESA-N -1 3 379.453 3.715 20 0 GHADHM CC(=O)c1ccc([O-])c(OC[C@@H]2CO[C@]3(C[C@H](C)CC[C@H]3C(C)C)O2)c1O ZINC001226482216 1031975721 /nfs/dbraw/zinc/97/57/21/1031975721.db2.gz LAXZLFHWUUSNNL-BHOPFYFBSA-N -1 3 378.465 3.883 20 0 GHADHM CCCn1c2ccccc2n(CC)c1=NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC001154261914 1032010162 /nfs/dbraw/zinc/01/01/62/1032010162.db2.gz GSGXZJIBMGTOKO-UHFFFAOYSA-N -1 3 377.448 3.905 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3c([O-])ccc4ccc(=O)oc43)C[C@H]21 ZINC001226596050 1032030330 /nfs/dbraw/zinc/03/03/30/1032030330.db2.gz IIJZSDJUCXKOFF-QLFBSQMISA-N -1 3 387.432 3.665 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597234 1032032606 /nfs/dbraw/zinc/03/26/06/1032032606.db2.gz RRTYFMDAEFEBRO-VMZNBEPHSA-N -1 3 387.432 3.523 20 0 GHADHM O=c1ccc2ccc([O-])c(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)c2o1 ZINC001226600479 1032037101 /nfs/dbraw/zinc/03/71/01/1032037101.db2.gz XIEYMTWOFKYGAV-BIRHUZIMSA-N -1 3 384.331 3.903 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@H]2Oc1cccc([O-])c1Br ZINC001229140759 1033304334 /nfs/dbraw/zinc/30/43/34/1033304334.db2.gz DYVPRGCHDUGXIT-HFAKWTLXSA-N -1 3 384.270 3.931 20 0 GHADHM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(F)cc2n[n-]nc21 ZINC001156948516 1033334434 /nfs/dbraw/zinc/33/44/34/1033334434.db2.gz QOXOTGNNKNLCTP-NSHDSACASA-N -1 3 381.194 3.657 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001156971502 1033347268 /nfs/dbraw/zinc/34/72/68/1033347268.db2.gz UOZWCOIFSVMFET-RBUKOAKNSA-N -1 3 380.488 3.663 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1 ZINC001156999830 1033367727 /nfs/dbraw/zinc/36/77/27/1033367727.db2.gz OOWAVGQEFAMDED-MQMHXKEQSA-N -1 3 381.325 3.811 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC1CCC(OCc2ccccc2)CC1 ZINC001229338435 1033423391 /nfs/dbraw/zinc/42/33/91/1033423391.db2.gz YVEOPKPVEHVDPL-UHFFFAOYSA-N -1 3 380.448 3.782 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC1CCC(OCc2ccccc2)CC1 ZINC001229338435 1033423401 /nfs/dbraw/zinc/42/34/01/1033423401.db2.gz YVEOPKPVEHVDPL-UHFFFAOYSA-N -1 3 380.448 3.782 20 0 GHADHM O=C(c1cccnc1-c1ccc([O-])cc1F)N1CCN(Cc2ccccc2)CC1 ZINC001206037071 1033696378 /nfs/dbraw/zinc/69/63/78/1033696378.db2.gz CFPYBAMGDRBJJD-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM COc1cccc([C@@H](C)Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)c1 ZINC001230189603 1033936421 /nfs/dbraw/zinc/93/64/21/1033936421.db2.gz UODDOIBTGBDDPU-MRXNPFEDSA-N -1 3 391.471 3.889 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001158171233 1033951296 /nfs/dbraw/zinc/95/12/96/1033951296.db2.gz OUYAVUCSOADPEE-QUCCMNQESA-N -1 3 381.472 3.639 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2Cl)c([O-])c(OC)c1 ZINC001158239311 1033980874 /nfs/dbraw/zinc/98/08/74/1033980874.db2.gz NCOBHQYIHHJFNY-UHFFFAOYSA-N -1 3 384.215 3.675 20 0 GHADHM COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([O-])c(OC)c1 ZINC001158239315 1033981141 /nfs/dbraw/zinc/98/11/41/1033981141.db2.gz NETKWZZPTLUJOW-UHFFFAOYSA-N -1 3 393.823 3.637 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cc(Cl)nc(C(C)(C)C)c2)c([O-])c(OC)c1 ZINC001158246784 1033986722 /nfs/dbraw/zinc/98/67/22/1033986722.db2.gz XVZCUZXODMPPIZ-UHFFFAOYSA-N -1 3 392.839 3.786 20 0 GHADHM Cc1cccnc1OC1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1 ZINC001158381475 1034054463 /nfs/dbraw/zinc/05/44/63/1034054463.db2.gz FUVXYANSTSXRTP-UHFFFAOYSA-N -1 3 386.855 3.715 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231075747 1034380702 /nfs/dbraw/zinc/38/07/02/1034380702.db2.gz HBIPJAYIJBOMSN-BXUZGUMPSA-N -1 3 395.406 3.591 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1CC(OCc2ccccc2)C1 ZINC001231090497 1034391997 /nfs/dbraw/zinc/39/19/97/1034391997.db2.gz JMMFDOBLTCIYLC-UHFFFAOYSA-N -1 3 377.824 3.744 20 0 GHADHM O=C([O-])c1ccc(CN2CC[C@@H](Oc3cccc(Br)c3)C2)s1 ZINC001231466999 1034612152 /nfs/dbraw/zinc/61/21/52/1034612152.db2.gz YGTNXFYKBNTSGE-CYBMUJFWSA-N -1 3 382.279 3.862 20 0 GHADHM CC(=O)N1CCc2cc(C(=O)Nc3c([O-])ccc(Br)c3C)ccc21 ZINC001159550974 1034658785 /nfs/dbraw/zinc/65/87/85/1034658785.db2.gz CKYJDWBJOIJHKL-UHFFFAOYSA-N -1 3 389.249 3.624 20 0 GHADHM [O-]c1ccc(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1C(F)(F)F ZINC001231522798 1034673067 /nfs/dbraw/zinc/67/30/67/1034673067.db2.gz TZMDBFINCIZYLE-LPHOPBHVSA-N -1 3 394.393 3.618 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231523478 1034675412 /nfs/dbraw/zinc/67/54/12/1034675412.db2.gz XSYVLBJNEDNGKX-UHFFFAOYSA-N -1 3 386.414 3.900 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)C ZINC001208058006 1034721395 /nfs/dbraw/zinc/72/13/95/1034721395.db2.gz BDXYMWDTMVBENB-KRWDZBQOSA-N -1 3 381.881 3.802 20 0 GHADHM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001277548533 1034822215 /nfs/dbraw/zinc/82/22/15/1034822215.db2.gz QMRJPXFCBPRNOI-APHBMKBZSA-N -1 3 381.314 3.519 20 0 GHADHM CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277547085 1034845508 /nfs/dbraw/zinc/84/55/08/1034845508.db2.gz CQFXBDCQBBRAFW-DZGCQCFKSA-N -1 3 395.341 3.672 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)ccc1Cl ZINC001231729864 1034866180 /nfs/dbraw/zinc/86/61/80/1034866180.db2.gz BGTTWNJKBPMPTB-FBBABVLZSA-N -1 3 388.895 3.779 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC001208375997 1034874944 /nfs/dbraw/zinc/87/49/44/1034874944.db2.gz PQAQQPZWGLKWDJ-HNNXBMFYSA-N -1 3 395.452 3.506 20 0 GHADHM COc1ccc(CN2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)cc1C(=O)[O-] ZINC001231749460 1034880216 /nfs/dbraw/zinc/88/02/16/1034880216.db2.gz HYVNITHSZHNKST-GOEBONIOSA-N -1 3 392.496 3.519 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2oc3ccccc3c2C)c(F)c1 ZINC001208490237 1034913495 /nfs/dbraw/zinc/91/34/95/1034913495.db2.gz OJKNRWNXMZMWDJ-LBPRGKRZSA-N -1 3 391.420 3.706 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC001160625614 1035019849 /nfs/dbraw/zinc/01/98/49/1035019849.db2.gz VBFMKIVQDFPUMS-MRXNPFEDSA-N -1 3 386.467 3.967 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(-c3ccccc3)co2)c(Cl)c1 ZINC001161305568 1035206712 /nfs/dbraw/zinc/20/67/12/1035206712.db2.gz OVVQPDLGDUPWPG-UHFFFAOYSA-N -1 3 391.836 3.619 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001161353038 1035214685 /nfs/dbraw/zinc/21/46/85/1035214685.db2.gz XSUQUVKKAFOYOK-CQSZACIVSA-N -1 3 380.485 3.604 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)cc(C)c2)c(F)c1 ZINC001209387490 1035265528 /nfs/dbraw/zinc/26/55/28/1035265528.db2.gz QIDIVRODQMIKKZ-CQSZACIVSA-N -1 3 379.453 3.659 20 0 GHADHM C[Si](C)(C)CCOCn1nnc2ncc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241293471 1035551466 /nfs/dbraw/zinc/55/14/66/1035551466.db2.gz GUNUVTNDQCSZGU-UHFFFAOYSA-N -1 3 378.455 3.789 20 0 GHADHM CC(C)N1CCN(Cc2ccc(-c3ccc(C(=O)[O-])c(F)c3F)c(F)c2)CC1 ZINC001243517764 1036189833 /nfs/dbraw/zinc/18/98/33/1036189833.db2.gz OJKPYSWXQSZOAB-UHFFFAOYSA-N -1 3 392.421 3.995 20 0 GHADHM Cc1sc2nc(CN3CCOCC3)nc(-c3cc(C)c(F)c([O-])c3)c2c1C ZINC001244507607 1036524193 /nfs/dbraw/zinc/52/41/93/1036524193.db2.gz MVJFFEJWLISPAU-UHFFFAOYSA-N -1 3 387.480 3.960 20 0 GHADHM O=C([O-])c1cc(Cl)c(-c2cncc([C@H]3CN4CCC3CC4)n2)c(Cl)c1 ZINC001244515854 1036528208 /nfs/dbraw/zinc/52/82/08/1036528208.db2.gz VVDVNUAVXLYIBG-LBPRGKRZSA-N -1 3 378.259 3.958 20 0 GHADHM FC(F)(F)Oc1ccc(-c2cncc(-c3cncc(-c4nnn[n-]4)c3)c2)cc1 ZINC001244790191 1036643848 /nfs/dbraw/zinc/64/38/48/1036643848.db2.gz SJBADCZNNVHJJB-UHFFFAOYSA-N -1 3 384.321 3.889 20 0 GHADHM FC(F)(F)Oc1ccc(-c2cncc(-c3cncc(-c4nn[n-]n4)c3)c2)cc1 ZINC001244790191 1036643864 /nfs/dbraw/zinc/64/38/64/1036643864.db2.gz SJBADCZNNVHJJB-UHFFFAOYSA-N -1 3 384.321 3.889 20 0 GHADHM CCCC[C@H](CC)CN1C[C@@H]2CN(Cc3sccc3C(=O)[O-])C[C@H](C1)O2 ZINC001278455497 1037482994 /nfs/dbraw/zinc/48/29/94/1037482994.db2.gz JIWGVKZCDIYSSU-YESZJQIVSA-N -1 3 380.554 3.548 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]CCSCCC(F)(F)F)cnc1Cl ZINC001462221229 1070097649 /nfs/dbraw/zinc/09/76/49/1070097649.db2.gz XWVOEXAFNFDZPQ-UHFFFAOYSA-N -1 3 376.778 3.937 20 0 GHADHM CCCc1ccc(-c2ccc(-c3noc([C@@H](N)CCc4nn[n-]n4)n3)cc2)cc1 ZINC001247285389 1038068351 /nfs/dbraw/zinc/06/83/51/1038068351.db2.gz ZGFWFLIIYHVRBG-SFHVURJKSA-N -1 3 389.463 3.502 20 0 GHADHM CCN(CCNC(=O)OC(C)(C)C)Cc1cc(F)c([O-])c(Br)c1 ZINC001232636150 1038422751 /nfs/dbraw/zinc/42/27/51/1038422751.db2.gz WXPLQXXBDYQSAJ-UHFFFAOYSA-N -1 3 391.281 3.640 20 0 GHADHM O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001232787543 1038553805 /nfs/dbraw/zinc/55/38/05/1038553805.db2.gz OPSKOKPFZCNLCZ-UHFFFAOYSA-N -1 3 385.895 3.569 20 0 GHADHM O=C([N-]C1CCN(Cc2cccc(SC(F)(F)F)c2)CC1)C(F)(F)F ZINC001232948553 1038725718 /nfs/dbraw/zinc/72/57/18/1038725718.db2.gz ZGSWIHVZERYDQN-UHFFFAOYSA-N -1 3 386.361 3.941 20 0 GHADHM O=C1CCC2(CCN(Cc3cc([O-])c(F)c(F)c3)CC2)N1Cc1ccccc1 ZINC001232970250 1038742009 /nfs/dbraw/zinc/74/20/09/1038742009.db2.gz DBBCHDZXDGPEEA-UHFFFAOYSA-N -1 3 386.442 3.828 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232971593 1038743610 /nfs/dbraw/zinc/74/36/10/1038743610.db2.gz NMZJDAGYCVGBON-QFIPXVFZSA-N -1 3 384.426 3.571 20 0 GHADHM O=S(=O)([N-]C1CCN(c2cccc(F)c2)CC1)c1cccc(Cl)c1F ZINC001252013921 1038810811 /nfs/dbraw/zinc/81/08/11/1038810811.db2.gz GHXCKGUKAUQITF-UHFFFAOYSA-N -1 3 386.851 3.566 20 0 GHADHM [O-]c1ccc(F)c(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1F ZINC001233395237 1039230977 /nfs/dbraw/zinc/23/09/77/1039230977.db2.gz QOZDKBJWKPTCBV-YCRPNKLZSA-N -1 3 390.430 3.516 20 0 GHADHM COc1ccc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)c(Cl)c1[O-] ZINC001233400098 1039238466 /nfs/dbraw/zinc/23/84/66/1039238466.db2.gz VUDNTHXRGRMUNK-UHFFFAOYSA-N -1 3 386.879 3.608 20 0 GHADHM CCN(Cc1ccc(OC)c([O-])c1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233400979 1039240335 /nfs/dbraw/zinc/24/03/35/1039240335.db2.gz HKRUGSNNEWSJBT-CQSZACIVSA-N -1 3 384.904 3.886 20 0 GHADHM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1ccc(OC)c([O-])c1Cl ZINC001233400300 1039240442 /nfs/dbraw/zinc/24/04/42/1039240442.db2.gz CTJHFPVSXFSYLZ-UHFFFAOYSA-N -1 3 393.867 3.628 20 0 GHADHM COc1ccc(CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1[O-] ZINC001233400835 1039240739 /nfs/dbraw/zinc/24/07/39/1039240739.db2.gz ZWFMADSSFCPTGN-UHFFFAOYSA-N -1 3 396.915 3.887 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1)c1cccc2ccccc21 ZINC001252918062 1039256890 /nfs/dbraw/zinc/25/68/90/1039256890.db2.gz UTWKWPOBPZXKTK-FQEVSTJZSA-N -1 3 383.469 3.564 20 0 GHADHM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC001254160250 1040014022 /nfs/dbraw/zinc/01/40/22/1040014022.db2.gz HWLQEXHBUIKHGB-MRXNPFEDSA-N -1 3 375.490 3.998 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1Cc2ccncc2[C@H]1C ZINC001234610111 1040166968 /nfs/dbraw/zinc/16/69/68/1040166968.db2.gz UUXPFRKNPIHTTL-BMIGLBTASA-N -1 3 392.249 3.834 20 0 GHADHM O=C1C[C@]2(CN1CC(F)(F)F)CCCCN2Cc1cccc([O-])c1Cl ZINC001277919616 1040543662 /nfs/dbraw/zinc/54/36/62/1040543662.db2.gz ZEQUFFFWWSKPCT-INIZCTEOSA-N -1 3 376.806 3.565 20 0 GHADHM C[C@@H]1CN(Cc2ccc(CN(C)Cc3c(F)ccc([O-])c3F)cc2)C[C@H](C)O1 ZINC001462526223 1070329343 /nfs/dbraw/zinc/32/93/43/1070329343.db2.gz GRGUOTPVQOWIIC-IYBDPMFKSA-N -1 3 390.474 3.912 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236652686 1041804270 /nfs/dbraw/zinc/80/42/70/1041804270.db2.gz AUSQBGNPMIOJAF-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683688 1041829653 /nfs/dbraw/zinc/82/96/53/1041829653.db2.gz GYBYQTIKSNHXKF-CRAIPNDOSA-N -1 3 384.314 3.562 20 0 GHADHM O=C(Nc1ccccc1)N1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236688215 1041832824 /nfs/dbraw/zinc/83/28/24/1041832824.db2.gz TTZJXJFKELWPTC-UHFFFAOYSA-N -1 3 390.281 3.504 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(Br)c([O-])c1 ZINC001236703937 1041843041 /nfs/dbraw/zinc/84/30/41/1041843041.db2.gz VYVWKKZGLRNZDC-YPMHNXCESA-N -1 3 385.302 3.642 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2ccc([O-])c(F)c2F)C1 ZINC001462576305 1070383485 /nfs/dbraw/zinc/38/34/85/1070383485.db2.gz IRAVSHKBLDPZER-LBPRGKRZSA-N -1 3 392.393 3.652 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)s1 ZINC001237156464 1042068951 /nfs/dbraw/zinc/06/89/51/1042068951.db2.gz WRXQUEBEAWBGID-CYBMUJFWSA-N -1 3 391.846 3.751 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCN2)no1)c1ccc2cc(Cl)ccc2c1 ZINC001237548451 1042259303 /nfs/dbraw/zinc/25/93/03/1042259303.db2.gz LMYVXBOGLCPYCC-OAHLLOKOSA-N -1 3 377.853 3.707 20 0 GHADHM CCN(Cc1cc(F)c([O-])c(Cl)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237995668 1042449958 /nfs/dbraw/zinc/44/99/58/1042449958.db2.gz SHMOEOMADHMWNC-GOSISDBHSA-N -1 3 392.902 3.908 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001238137434 1042500787 /nfs/dbraw/zinc/50/07/87/1042500787.db2.gz KCHWGLRFARWEIA-OAQYLSRUSA-N -1 3 392.499 3.531 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001238147470 1042503942 /nfs/dbraw/zinc/50/39/42/1042503942.db2.gz OVXZLQTUUVOCIY-UHFFFAOYSA-N -1 3 394.393 3.914 20 0 GHADHM C[C@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001238232968 1042526682 /nfs/dbraw/zinc/52/66/82/1042526682.db2.gz GTSGIPQVALTQFF-DZGCQCFKSA-N -1 3 380.460 3.507 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC001256562699 1043536181 /nfs/dbraw/zinc/53/61/81/1043536181.db2.gz HSILBHZPRFTGRB-WDEREUQCSA-N -1 3 392.727 3.998 20 0 GHADHM CC(C)(C)OC(=O)C1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC001256562798 1043537856 /nfs/dbraw/zinc/53/78/56/1043537856.db2.gz KNLRYDFEBYPFNX-UHFFFAOYSA-N -1 3 379.931 3.582 20 0 GHADHM O=S(=O)([N-]c1cc(Br)cnc1F)c1ccccc1C(F)(F)F ZINC001256580185 1043550464 /nfs/dbraw/zinc/55/04/64/1043550464.db2.gz AEORRQJRSIXRQV-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC001256580256 1043551168 /nfs/dbraw/zinc/55/11/68/1043551168.db2.gz BTYDKZCLRHYLHK-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2)c(Br)n1 ZINC001256715387 1043634659 /nfs/dbraw/zinc/63/46/59/1043634659.db2.gz RVAABPZCYSRGOW-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cn1cc(C(=O)Nc2ccc(OC(=O)c3cc4sccc4c([O-])c3)cc2)cn1 ZINC001292715800 1043844773 /nfs/dbraw/zinc/84/47/73/1043844773.db2.gz NALZTQVIARVJNJ-UHFFFAOYSA-N -1 3 393.424 3.812 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)Cl)cc2)cc1OC ZINC001257102986 1043848149 /nfs/dbraw/zinc/84/81/49/1043848149.db2.gz BSFQJQDBFJSHFE-UHFFFAOYSA-N -1 3 393.795 3.673 20 0 GHADHM COc1cc(F)c(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1 ZINC001257284823 1043957303 /nfs/dbraw/zinc/95/73/03/1043957303.db2.gz WGSNVVRSGDEVOJ-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM O=S(=O)([N-][C@@H](CO)Cc1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC001257288345 1043958424 /nfs/dbraw/zinc/95/84/24/1043958424.db2.gz DEWOQAKRRXYJSJ-GFCCVEGCSA-N -1 3 394.707 3.529 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1 ZINC001292978962 1043971625 /nfs/dbraw/zinc/97/16/25/1043971625.db2.gz WZFCOCDPHWJINE-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1 ZINC001292978962 1043971627 /nfs/dbraw/zinc/97/16/27/1043971627.db2.gz WZFCOCDPHWJINE-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)o1 ZINC001257657080 1044105164 /nfs/dbraw/zinc/10/51/64/1044105164.db2.gz QDQLEVUYZOHBMP-UHFFFAOYSA-N -1 3 375.450 3.511 20 0 GHADHM O=S(=O)([N-]CCCN1CCc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC001462795315 1070551846 /nfs/dbraw/zinc/55/18/46/1070551846.db2.gz KANUISXYDLSSFZ-UHFFFAOYSA-N -1 3 399.541 3.541 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl ZINC001257770734 1044162059 /nfs/dbraw/zinc/16/20/59/1044162059.db2.gz RNTYKXIIQWIRSL-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294116929 1044479950 /nfs/dbraw/zinc/47/99/50/1044479950.db2.gz QXQAYPJZVZBBQD-QGZVFWFLSA-N -1 3 399.539 3.650 20 0 GHADHM Cc1cccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1[O-] ZINC001294599175 1044721180 /nfs/dbraw/zinc/72/11/80/1044721180.db2.gz XCNYMRDDCCSKJT-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM O=c1[nH]cc(-c2ccccn2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258833389 1044778149 /nfs/dbraw/zinc/77/81/49/1044778149.db2.gz QFUCAVARBRSQQR-UHFFFAOYSA-N -1 3 396.255 3.957 20 0 GHADHM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001294757655 1044786646 /nfs/dbraw/zinc/78/66/46/1044786646.db2.gz NMWNIENSCRLXMM-LJQANCHMSA-N -1 3 392.842 3.798 20 0 GHADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1F ZINC001258932611 1044890445 /nfs/dbraw/zinc/89/04/45/1044890445.db2.gz DUGYCILQLYDMPH-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)nc1Cl)c1cc(F)ccc1F ZINC001258942419 1044898633 /nfs/dbraw/zinc/89/86/33/1044898633.db2.gz VWYNPSBUCNEPOT-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)([N-][C@H]1CC12CCC(F)(F)CC2)c1ccc(Br)s1 ZINC001259062174 1044942951 /nfs/dbraw/zinc/94/29/51/1044942951.db2.gz PYIWRSLEUQJBKM-QMMMGPOBSA-N -1 3 386.283 3.757 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)c(F)c2)c(C)c1 ZINC001259100907 1044962152 /nfs/dbraw/zinc/96/21/52/1044962152.db2.gz SUDHCMQCXPNZDG-MRXNPFEDSA-N -1 3 379.453 3.801 20 0 GHADHM COC[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCCCN1C(=O)OC(C)(C)C ZINC001295350454 1044986087 /nfs/dbraw/zinc/98/60/87/1044986087.db2.gz FJUNXOXQWSCKLH-LJQANCHMSA-N -1 3 398.887 3.790 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cnc(Br)c(F)c1 ZINC001259236287 1045032705 /nfs/dbraw/zinc/03/27/05/1045032705.db2.gz NUVVVBGWUWPJKG-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1F ZINC001259242275 1045038064 /nfs/dbraw/zinc/03/80/64/1045038064.db2.gz QYPHPQHZSDRMSG-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1Br ZINC001259299661 1045063662 /nfs/dbraw/zinc/06/36/62/1045063662.db2.gz CVNBCWOYZOUZHR-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3c(Cl)ccc4cccnc43)cc2o1 ZINC001259384456 1045112681 /nfs/dbraw/zinc/11/26/81/1045112681.db2.gz RCAIXEHKZSQHKH-UHFFFAOYSA-N -1 3 375.793 3.536 20 0 GHADHM COc1cccc(Br)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259396832 1045121962 /nfs/dbraw/zinc/12/19/62/1045121962.db2.gz BVXXZNCAWYVJSY-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM O=S(=O)([N-]c1cccc(Br)c1F)c1ccc2ncsc2c1 ZINC001259396762 1045122117 /nfs/dbraw/zinc/12/21/17/1045122117.db2.gz XQUDCGDYHBNIEH-UHFFFAOYSA-N -1 3 387.255 3.999 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1cccc(OC(F)F)c1 ZINC001259445391 1045160200 /nfs/dbraw/zinc/16/02/00/1045160200.db2.gz ZPKFYAVHDXOJRH-UHFFFAOYSA-N -1 3 394.193 3.557 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc(OC(F)F)c1 ZINC001259445301 1045160411 /nfs/dbraw/zinc/16/04/11/1045160411.db2.gz VSINECZLFVHOJE-UHFFFAOYSA-N -1 3 396.184 3.990 20 0 GHADHM O=C(C[C@H]1C(=O)Nc2c1cccc2Br)Nc1ccc(Cl)cc1[O-] ZINC001295972551 1045203702 /nfs/dbraw/zinc/20/37/02/1045203702.db2.gz QDRRPRCXXVHGEI-SNVBAGLBSA-N -1 3 395.640 3.873 20 0 GHADHM COC(=O)C1(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCCC1 ZINC001296024013 1045223384 /nfs/dbraw/zinc/22/33/84/1045223384.db2.gz OFYXRFWEYWZKKJ-UHFFFAOYSA-N -1 3 381.472 3.931 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(Br)c(F)c2F)c1 ZINC001259749217 1045284618 /nfs/dbraw/zinc/28/46/18/1045284618.db2.gz LFGWJLMKGKPSNC-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1ccc(Br)c(F)c1F ZINC001259761131 1045290343 /nfs/dbraw/zinc/29/03/43/1045290343.db2.gz MIIXUKYJWMKILO-UHFFFAOYSA-N -1 3 394.212 3.851 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c1N1CCCCC1=O ZINC001259761642 1045291459 /nfs/dbraw/zinc/29/14/59/1045291459.db2.gz ONDKKRPMHYBAPG-UHFFFAOYSA-N -1 3 390.480 3.635 20 0 GHADHM CCc1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c([O-])c1 ZINC001296267913 1045291669 /nfs/dbraw/zinc/29/16/69/1045291669.db2.gz KWAKCQYDMQGCFN-INIZCTEOSA-N -1 3 378.266 3.571 20 0 GHADHM Cc1cc(O)c([N-]S(=O)(=O)CCc2ccccc2F)cc1Br ZINC001259786583 1045304453 /nfs/dbraw/zinc/30/44/53/1045304453.db2.gz CPWLYERHLYEVPY-UHFFFAOYSA-N -1 3 388.258 3.587 20 0 GHADHM CC(C)(C)OC(=O)n1cnc2cc([N-]S(=O)(=O)CCC(F)(F)F)ccc21 ZINC001259873069 1045325664 /nfs/dbraw/zinc/32/56/64/1045325664.db2.gz BWHVPVMFXUFNAW-UHFFFAOYSA-N -1 3 393.387 3.514 20 0 GHADHM Cc1ccccc1CS(=O)(=O)[N-]c1c(F)cccc1OC[C@@H]1CCCO1 ZINC001260023451 1045359961 /nfs/dbraw/zinc/35/99/61/1045359961.db2.gz HBSKAFSYWZVURU-INIZCTEOSA-N -1 3 379.453 3.634 20 0 GHADHM O=C1CCc2cccc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2N1 ZINC001260034054 1045365773 /nfs/dbraw/zinc/36/57/73/1045365773.db2.gz YJQOKDWRYVKNCA-UHFFFAOYSA-N -1 3 384.379 3.532 20 0 GHADHM CC(=O)Oc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)cc1 ZINC001260147542 1045397462 /nfs/dbraw/zinc/39/74/62/1045397462.db2.gz OIWMWUAKBJEUCF-UHFFFAOYSA-N -1 3 384.413 3.600 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1ccc(Br)cc1F ZINC001260381133 1045484104 /nfs/dbraw/zinc/48/41/04/1045484104.db2.gz QOUPSMNNWZEGPF-CQSZACIVSA-N -1 3 388.233 3.693 20 0 GHADHM C[C@@H](CCc1ccc(I)cc1)NC(=O)c1ccccc1[O-] ZINC001297281937 1045491557 /nfs/dbraw/zinc/49/15/57/1045491557.db2.gz VTHOIEZAUCOXME-LBPRGKRZSA-N -1 3 395.240 3.748 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2C)c1 ZINC001260462993 1045503903 /nfs/dbraw/zinc/50/39/03/1045503903.db2.gz WTYIKQKYMKJGJZ-UHFFFAOYSA-N -1 3 386.242 3.900 20 0 GHADHM Cc1cc2c(cc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)OCCO2 ZINC001260465997 1045505766 /nfs/dbraw/zinc/50/57/66/1045505766.db2.gz SBOSKYMHEQOMSY-UHFFFAOYSA-N -1 3 394.301 3.613 20 0 GHADHM O=S(=O)([N-]C1(C(F)(F)F)CCCC1)c1cccc(OC(F)(F)F)c1 ZINC001260502753 1045521711 /nfs/dbraw/zinc/52/17/11/1045521711.db2.gz XUGKHZBEVNQSNR-UHFFFAOYSA-N -1 3 377.306 3.739 20 0 GHADHM Cc1cc(I)cc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001297528617 1045555435 /nfs/dbraw/zinc/55/54/35/1045555435.db2.gz TVMXSOHVCYUAMO-UHFFFAOYSA-N -1 3 385.176 3.626 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C3OCCO3)c2)cc1 ZINC001260578166 1045566061 /nfs/dbraw/zinc/56/60/61/1045566061.db2.gz FBTICJAWQTWXOW-UHFFFAOYSA-N -1 3 377.462 3.712 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)cc1 ZINC001260578601 1045566220 /nfs/dbraw/zinc/56/62/20/1045566220.db2.gz NIOLOSSHIKRKJT-UHFFFAOYSA-N -1 3 381.425 3.592 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1c(Cl)cccc1C(F)(F)F ZINC001260652295 1045593739 /nfs/dbraw/zinc/59/37/39/1045593739.db2.gz LRPFULNKUWWMEH-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(-n4ccnc4)c3)ccc2O1 ZINC001260716778 1045623446 /nfs/dbraw/zinc/62/34/46/1045623446.db2.gz DBHIOXHHVJHTSB-UHFFFAOYSA-N -1 3 383.473 3.777 20 0 GHADHM CC1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)COC1 ZINC001260718426 1045624584 /nfs/dbraw/zinc/62/45/84/1045624584.db2.gz AMEKGPRFCHIPJB-UHFFFAOYSA-N -1 3 387.501 3.879 20 0 GHADHM COCC[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1cccc(C(F)(F)F)c1 ZINC001297918903 1045657832 /nfs/dbraw/zinc/65/78/32/1045657832.db2.gz JYHQBYFNEJSOOV-CQSZACIVSA-N -1 3 395.368 3.840 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nnc(-c2ccccc2)o1 ZINC001260824619 1045691669 /nfs/dbraw/zinc/69/16/69/1045691669.db2.gz VZTJGYWVUMJQNU-UHFFFAOYSA-N -1 3 398.271 3.663 20 0 GHADHM C[C@H](CCc1ccc(I)cc1)CC(=O)[N-]OC1CCC1 ZINC001298075875 1045696907 /nfs/dbraw/zinc/69/69/07/1045696907.db2.gz OKDVPZZRBROSQI-GFCCVEGCSA-N -1 3 387.261 3.850 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)o1 ZINC001260882529 1045741437 /nfs/dbraw/zinc/74/14/37/1045741437.db2.gz RPBADJGZHNQJAG-UHFFFAOYSA-N -1 3 398.200 3.848 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001298306695 1045768390 /nfs/dbraw/zinc/76/83/90/1045768390.db2.gz OOSLJSPOLCJKJY-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM Nc1cc(C(F)(F)F)ccc1C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC001298334359 1045776826 /nfs/dbraw/zinc/77/68/26/1045776826.db2.gz NHUQZYGOGZNRJR-UHFFFAOYSA-N -1 3 398.348 3.873 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCCC1 ZINC001260982891 1045797920 /nfs/dbraw/zinc/79/79/20/1045797920.db2.gz NKDNBMYYBUGDJN-UHFFFAOYSA-N -1 3 386.517 3.975 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC001261011005 1045830810 /nfs/dbraw/zinc/83/08/10/1045830810.db2.gz ARNPXCBTXHRILG-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM CC1(C)C[C@@H](C2([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)CCO1 ZINC001261014945 1045838064 /nfs/dbraw/zinc/83/80/64/1045838064.db2.gz UYENHEYOOAVDPK-NSHDSACASA-N -1 3 395.418 3.861 20 0 GHADHM O=S(=O)([N-]c1ccnc(N2CCCC2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC001261015381 1045839796 /nfs/dbraw/zinc/83/97/96/1045839796.db2.gz RLPBMWZWQIEHME-UHFFFAOYSA-N -1 3 389.374 3.641 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC001261063933 1045883264 /nfs/dbraw/zinc/88/32/64/1045883264.db2.gz MXLUIZJOVWNJCE-NSHDSACASA-N -1 3 387.910 3.844 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001261120386 1045904107 /nfs/dbraw/zinc/90/41/07/1045904107.db2.gz HFRDEHUVMRCKGB-LBPRGKRZSA-N -1 3 381.398 3.532 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nccnc2SCc2ccccc2)c1[O-] ZINC001298748693 1045938061 /nfs/dbraw/zinc/93/80/61/1045938061.db2.gz FODSACIOBWVIIN-UHFFFAOYSA-N -1 3 379.441 3.929 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001299944309 1046103818 /nfs/dbraw/zinc/10/38/18/1046103818.db2.gz YUEYTRAFEQYPBO-SFHVURJKSA-N -1 3 395.365 3.508 20 0 GHADHM CCOC(=O)C1=CC[C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001300804084 1046173329 /nfs/dbraw/zinc/17/33/29/1046173329.db2.gz FRXAKGJOVGPYFD-LJQANCHMSA-N -1 3 379.456 3.559 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001301585397 1046609918 /nfs/dbraw/zinc/60/99/18/1046609918.db2.gz PBOSAIVECXFTTA-SNVBAGLBSA-N -1 3 384.823 3.537 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2F)s1 ZINC001463121443 1070819341 /nfs/dbraw/zinc/81/93/41/1070819341.db2.gz FLLWVXMQTNDIBA-QGZVFWFLSA-N -1 3 376.478 3.853 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000381071602 1046926512 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GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000391166840 1047535670 /nfs/dbraw/zinc/53/56/70/1047535670.db2.gz XKKPTDMSUHULLU-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)cnc1Cl ZINC001266036528 1047703429 /nfs/dbraw/zinc/70/34/29/1047703429.db2.gz XJQFQSXZPFDXLE-UHFFFAOYSA-N -1 3 380.778 3.669 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1coc(-c2ccccc2)n1 ZINC001304565453 1047713917 /nfs/dbraw/zinc/71/39/17/1047713917.db2.gz IDPHDXLRIVTYRW-UHFFFAOYSA-N -1 3 388.383 3.674 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1coc(-c2ccccc2)n1 ZINC001304565453 1047713923 /nfs/dbraw/zinc/71/39/23/1047713923.db2.gz IDPHDXLRIVTYRW-UHFFFAOYSA-N -1 3 388.383 3.674 20 0 GHADHM CC(C)NC(=O)N1CCC[C@]2(CCCN(Cc3ccc(Cl)c([O-])c3)C2)C1 ZINC001279314629 1047764266 /nfs/dbraw/zinc/76/42/66/1047764266.db2.gz YEXDSXYCXBEKAC-FQEVSTJZSA-N -1 3 379.932 3.842 20 0 GHADHM O=C(Cc1ccsc1)N1CC2(C1)CCCN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001279314270 1047764355 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Cc1ccc(N2CCCC2)c(C(=O)OCc2nnc(-c3ccccc3[O-])o2)c1 ZINC001331086310 1051187565 /nfs/dbraw/zinc/18/75/65/1051187565.db2.gz VXAQMOQTKCGKTL-UHFFFAOYSA-N -1 3 379.416 3.708 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1(c2ccc(F)cc2F)CCC1 ZINC001332233079 1051489032 /nfs/dbraw/zinc/48/90/32/1051489032.db2.gz CVQWUOHAMGDPKH-UHFFFAOYSA-N -1 3 386.354 3.886 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3CC[C@H](C(F)(F)F)O3)c2)n1 ZINC001332903494 1051597418 /nfs/dbraw/zinc/59/74/18/1051597418.db2.gz UEDGMEPHZVMXER-HUUCEWRRSA-N -1 3 395.381 3.850 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3CC[C@@H](C(F)(F)F)O3)c2)n1 ZINC001332903492 1051597897 /nfs/dbraw/zinc/59/78/97/1051597897.db2.gz UEDGMEPHZVMXER-CABCVRRESA-N -1 3 395.381 3.850 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001333859941 1051856580 /nfs/dbraw/zinc/85/65/80/1051856580.db2.gz YXKUDXQNBHZADW-UHFFFAOYSA-N -1 3 390.241 3.702 20 0 GHADHM O=C([O-])[C@H](CCCNCc1ccncc1Br)Cc1ccccc1 ZINC001334840730 1051989253 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O=C([N-]c1ncn(Cc2cccnc2)n1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001318229406 1054513268 /nfs/dbraw/zinc/51/32/68/1054513268.db2.gz BTAJHQRVVMFFLK-UHFFFAOYSA-N -1 3 396.863 3.751 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)o1)c1csc(-c2ccccc2)n1 ZINC001320847324 1055985763 /nfs/dbraw/zinc/98/57/63/1055985763.db2.gz KLARWZYUVJTSFN-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Br)[n-]n1 ZINC001472090536 1056138003 /nfs/dbraw/zinc/13/80/03/1056138003.db2.gz LDSXJNJNZXTEGP-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Br)n[n-]1 ZINC001472090536 1056138009 /nfs/dbraw/zinc/13/80/09/1056138009.db2.gz LDSXJNJNZXTEGP-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM COc1cccc(CNC(=S)Nc2ccc(Br)cc2[O-])c1OC ZINC001200518379 1056204022 /nfs/dbraw/zinc/20/40/22/1056204022.db2.gz TXVQLZZKYMHTGU-UHFFFAOYSA-N -1 3 397.294 3.659 20 0 GHADHM O=S(=O)([N-]c1ccccc1)c1ccc(N2CCn3nc(C4CC4)cc3C2)cc1 ZINC001354266767 1056487025 /nfs/dbraw/zinc/48/70/25/1056487025.db2.gz 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/nfs/dbraw/zinc/60/42/72/1057604272.db2.gz ZCYZAJFKBIJJFW-UHFFFAOYSA-N -1 3 385.330 3.509 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cnn1-c1ccccc1 ZINC001545933210 1058531335 /nfs/dbraw/zinc/53/13/35/1058531335.db2.gz BOXJXVCRNYFWSA-UHFFFAOYSA-N -1 3 378.819 3.928 20 0 GHADHM CCCOc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001441240176 1058733194 /nfs/dbraw/zinc/73/31/94/1058733194.db2.gz TXZUTWZHTPNAIB-UHFFFAOYSA-N -1 3 382.869 3.753 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]nc3-c3ccco3)c2)n1 ZINC001441557279 1058814454 /nfs/dbraw/zinc/81/44/54/1058814454.db2.gz GLMONQCBQDDSQH-UHFFFAOYSA-N -1 3 375.388 3.647 20 0 GHADHM O=C(NCC1(c2ccc(Br)cc2)CCC1)c1ccc(O)cc1[O-] ZINC001442088291 1058916374 /nfs/dbraw/zinc/91/63/74/1058916374.db2.gz SPUKGCUHIHPUOQ-UHFFFAOYSA-N -1 3 376.250 3.712 20 0 GHADHM Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001339146228 1058981214 /nfs/dbraw/zinc/98/12/14/1058981214.db2.gz ABMMNETYKOEFSH-AWEZNQCLSA-N -1 3 391.262 3.626 20 0 GHADHM Cc1ccc(C[C@H]2CCCN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC001442667688 1058991469 /nfs/dbraw/zinc/99/14/69/1058991469.db2.gz OCUWLJIOWCXUOZ-HXUWFJFHSA-N -1 3 394.515 3.610 20 0 GHADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001442796655 1059009508 /nfs/dbraw/zinc/00/95/08/1059009508.db2.gz JYISJIYWTNWBKR-QGZVFWFLSA-N -1 3 382.847 3.998 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)(F)F)c([O-])c1 ZINC001443015796 1059045069 /nfs/dbraw/zinc/04/50/69/1059045069.db2.gz JMCBPRJSKACYGQ-UHFFFAOYSA-N -1 3 397.349 3.935 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2cccc(C(C)(C)C)c2)c1 ZINC001444246259 1059288143 /nfs/dbraw/zinc/28/81/43/1059288143.db2.gz JVULBFVIQMZLFL-UHFFFAOYSA-N -1 3 382.460 3.623 20 0 GHADHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001444273589 1059298414 /nfs/dbraw/zinc/29/84/14/1059298414.db2.gz KJFODPOUIRQUIY-SCLBCKFNSA-N -1 3 397.272 3.652 20 0 GHADHM CN1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c2ccc(F)cc21 ZINC001445052556 1059450339 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COc1n[n-]c(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)n1 ZINC001446188252 1059722254 /nfs/dbraw/zinc/72/22/54/1059722254.db2.gz AESOAFCMGGRVBU-UHFFFAOYSA-N -1 3 389.209 3.620 20 0 GHADHM COc1ccc(Oc2ccc(CCNC(=O)c3ccc(O)cc3[O-])cc2)cc1 ZINC001446274372 1059740555 /nfs/dbraw/zinc/74/05/55/1059740555.db2.gz JDUBTGYEJICUFK-UHFFFAOYSA-N -1 3 379.412 3.871 20 0 GHADHM O=C(OCc1ccccc1)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001446447206 1059779678 /nfs/dbraw/zinc/77/96/78/1059779678.db2.gz YZLRVXGLBDHYOO-UHFFFAOYSA-N -1 3 396.468 3.702 20 0 GHADHM CCOc1cc(Cl)ccc1C[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC001446550761 1059798400 /nfs/dbraw/zinc/79/84/00/1059798400.db2.gz ALDMMYNUIZIRDH-UHFFFAOYSA-N -1 3 383.778 3.839 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2sc(C)cc2Br)c([O-])c1 ZINC001447065669 1059925309 /nfs/dbraw/zinc/92/53/09/1059925309.db2.gz ZTLKHVFVGVHWIQ-UHFFFAOYSA-N -1 3 398.278 3.883 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(C)cc3F)nc2C)[n-]n1 ZINC001447175127 1059934540 /nfs/dbraw/zinc/93/45/40/1059934540.db2.gz NXSMANNJNHDGPZ-UHFFFAOYSA-N -1 3 388.424 3.718 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(C)cc3F)nc2C)n[n-]1 ZINC001447175127 1059934542 /nfs/dbraw/zinc/93/45/42/1059934542.db2.gz NXSMANNJNHDGPZ-UHFFFAOYSA-N -1 3 388.424 3.718 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])C1CCC(F)(F)CC1 ZINC001447622952 1059988805 /nfs/dbraw/zinc/98/88/05/1059988805.db2.gz GBXHCWUXKRFKOL-UHFFFAOYSA-N -1 3 381.160 3.761 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])C1(Oc2ccccc2)CC1 ZINC001447628615 1059990736 /nfs/dbraw/zinc/99/07/36/1059990736.db2.gz WMFYOKKSNBJDED-UHFFFAOYSA-N -1 3 395.196 3.547 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001448133975 1060117393 /nfs/dbraw/zinc/11/73/93/1060117393.db2.gz LMDXCVWNDKEOKD-UHFFFAOYSA-N -1 3 387.774 3.530 20 0 GHADHM COc1ccc(C(=O)N[C@H]2CSc3ccc(Br)cc32)c([O-])c1 ZINC001448894887 1060293989 /nfs/dbraw/zinc/29/39/89/1060293989.db2.gz YYDJFQYEHZSDSS-ZDUSSCGKSA-N -1 3 380.263 3.740 20 0 GHADHM C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001449267046 1060369828 /nfs/dbraw/zinc/36/98/28/1060369828.db2.gz UAQFXWVJNGZBEY-IFXJQAMLSA-N -1 3 393.405 3.969 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001450230445 1060558004 /nfs/dbraw/zinc/55/80/04/1060558004.db2.gz XMQLUZQVZOKQFB-KWQFWETISA-N -1 3 382.176 3.902 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc2c(cc1[O-])OCO2 ZINC001450533915 1060610811 /nfs/dbraw/zinc/61/08/11/1060610811.db2.gz NOOANIMNLPEHQJ-AULYBMBSSA-N -1 3 390.233 3.559 20 0 GHADHM COC(=O)c1cnc([C@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC001451866634 1060853865 /nfs/dbraw/zinc/85/38/65/1060853865.db2.gz FTICQNBKFOLHDN-ZDUSSCGKSA-N -1 3 396.468 3.717 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2coc(-c3c(F)cccc3F)n2)[n-]n1 ZINC001452099010 1060900661 /nfs/dbraw/zinc/90/06/61/1060900661.db2.gz KOHYXSOAGSQABQ-UHFFFAOYSA-N -1 3 390.346 3.551 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2coc(-c3c(F)cccc3F)n2)n[n-]1 ZINC001452099010 1060900663 /nfs/dbraw/zinc/90/06/63/1060900663.db2.gz KOHYXSOAGSQABQ-UHFFFAOYSA-N -1 3 390.346 3.551 20 0 GHADHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1c(F)cc(Br)cc1F ZINC001453141536 1061081702 /nfs/dbraw/zinc/08/17/02/1061081702.db2.gz ZZAMJPMRKZIHPR-UHFFFAOYSA-N -1 3 387.111 3.966 20 0 GHADHM Cc1cccc(CO[N-]C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)n1 ZINC001454243434 1061663942 /nfs/dbraw/zinc/66/39/42/1061663942.db2.gz XFMMGVYHUXDXSM-ROUUACIJSA-N -1 3 391.512 3.802 20 0 GHADHM O=C(C[C@@H]1CC=CCC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454926282 1061957292 /nfs/dbraw/zinc/95/72/92/1061957292.db2.gz KEMDRBFXSVWOHI-CABCVRRESA-N -1 3 380.410 3.932 20 0 GHADHM Cc1ccc(OC(F)F)c(CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001545732513 1061975197 /nfs/dbraw/zinc/97/51/97/1061975197.db2.gz GRZQQXNTFDAVPC-UHFFFAOYSA-N -1 3 386.192 3.995 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1cc2cc(Br)ccc2o1 ZINC001455288255 1062091462 /nfs/dbraw/zinc/09/14/62/1062091462.db2.gz HKLRFBKGVXEKST-UHFFFAOYSA-N -1 3 378.197 3.899 20 0 GHADHM O=C(NCCOC(F)(F)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001455452427 1062158201 /nfs/dbraw/zinc/15/82/01/1062158201.db2.gz IOCCKLSZVQCJRV-UHFFFAOYSA-N -1 3 389.320 3.885 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC001456462389 1062698909 /nfs/dbraw/zinc/69/89/09/1062698909.db2.gz UDHFMAKCGQTBBX-KRWDZBQOSA-N -1 3 387.501 3.797 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001456476027 1062703911 /nfs/dbraw/zinc/70/39/11/1062703911.db2.gz IITKZBDXUUCNHQ-OPAMFIHVSA-N -1 3 388.508 3.864 20 0 GHADHM CC(C)Cc1nc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cs1 ZINC001456796984 1062863128 /nfs/dbraw/zinc/86/31/28/1062863128.db2.gz BCOBFQRGWZQHFI-UHFFFAOYSA-N -1 3 384.461 3.674 20 0 GHADHM CC(C)Cc1nc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cs1 ZINC001456796984 1062863144 /nfs/dbraw/zinc/86/31/44/1062863144.db2.gz BCOBFQRGWZQHFI-UHFFFAOYSA-N -1 3 384.461 3.674 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc2cccc(F)c2o1 ZINC001456799965 1062866044 /nfs/dbraw/zinc/86/60/44/1062866044.db2.gz LMJYJVJVDYGISB-UHFFFAOYSA-N -1 3 379.347 3.904 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc2cccc(F)c2o1 ZINC001456799965 1062866115 /nfs/dbraw/zinc/86/61/15/1062866115.db2.gz LMJYJVJVDYGISB-UHFFFAOYSA-N -1 3 379.347 3.904 20 0 GHADHM O=C(N[C@@H](c1ccncc1)C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001456900882 1062912840 /nfs/dbraw/zinc/91/28/40/1062912840.db2.gz OXMDLSYUFFCVJI-GOSISDBHSA-N -1 3 398.260 3.567 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)c(C(=O)OCC)[n-]1 ZINC001435887179 1062981802 /nfs/dbraw/zinc/98/18/02/1062981802.db2.gz ODRSXHSYYXJZPH-UHFFFAOYSA-N -1 3 395.463 3.582 20 0 GHADHM COc1cccc([C@@H](OC)C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1 ZINC001457171675 1062997067 /nfs/dbraw/zinc/99/70/67/1062997067.db2.gz ZSCKEDGAEURISN-QGZVFWFLSA-N -1 3 398.488 3.740 20 0 GHADHM CCC(C)(C)c1ccc(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC001349459824 1063734159 /nfs/dbraw/zinc/73/41/59/1063734159.db2.gz MOXITLAOROYEJK-UHFFFAOYSA-N -1 3 382.508 3.577 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1cncnc1-c1ccccc1 ZINC001437128405 1063766571 /nfs/dbraw/zinc/76/65/71/1063766571.db2.gz FXFBFZPETKMHRY-UHFFFAOYSA-N -1 3 394.847 3.963 20 0 GHADHM Cc1ccc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC001438033061 1063969950 /nfs/dbraw/zinc/96/99/50/1063969950.db2.gz OSUBXIFXPUOIOB-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM Cc1ccc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC001438033061 1063969952 /nfs/dbraw/zinc/96/99/52/1063969952.db2.gz OSUBXIFXPUOIOB-UHFFFAOYSA-N -1 3 393.827 3.596 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(Cl)cc2ccccc21 ZINC001459118716 1064002703 /nfs/dbraw/zinc/00/27/03/1064002703.db2.gz PPGWNNSRXAVNKT-UHFFFAOYSA-N -1 3 386.791 3.647 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCc2ccccc2)ccc1F ZINC001350175339 1064011521 /nfs/dbraw/zinc/01/15/21/1064011521.db2.gz VYLVJINGMMXLSH-UHFFFAOYSA-N -1 3 393.480 3.692 20 0 GHADHM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC001351073983 1064256833 /nfs/dbraw/zinc/25/68/33/1064256833.db2.gz JFDDAXNLWVULDK-QGZVFWFLSA-N -1 3 381.432 3.899 20 0 GHADHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@@H](C)O1 ZINC001463583467 1064480100 /nfs/dbraw/zinc/48/01/00/1064480100.db2.gz IWXRUDQMBHOWRY-ZIAGYGMSSA-N -1 3 380.535 3.682 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3C)C2)c(F)c1 ZINC001463626735 1064510500 /nfs/dbraw/zinc/51/05/00/1064510500.db2.gz NYMALHCSXMZUOF-WKILWMFISA-N -1 3 391.464 3.535 20 0 GHADHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC001463723840 1064570639 /nfs/dbraw/zinc/57/06/39/1064570639.db2.gz ODQZPWRXRPEDJK-UHFFFAOYSA-N -1 3 390.249 3.557 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)c1 ZINC001463788296 1064618892 /nfs/dbraw/zinc/61/88/92/1064618892.db2.gz CGROXMCADGYISC-KRWDZBQOSA-N -1 3 383.485 3.784 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(C(=O)OCc3ccccc3)CCC2)sc1Cl ZINC001463846129 1064666038 /nfs/dbraw/zinc/66/60/38/1064666038.db2.gz LYLGBJYKNOUOOD-UHFFFAOYSA-N -1 3 399.921 3.654 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H](O)C(C)C ZINC001463881701 1064691360 /nfs/dbraw/zinc/69/13/60/1064691360.db2.gz GWWZTMZYJJUXRM-DZGCQCFKSA-N -1 3 388.942 3.537 20 0 GHADHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC001463947841 1064734301 /nfs/dbraw/zinc/73/43/01/1064734301.db2.gz LCLGSCYVGJWBDI-PHIMTYICSA-N -1 3 396.734 3.727 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)c2ccc(C)cc2C)cc1OC ZINC000847132828 1064750378 /nfs/dbraw/zinc/75/03/78/1064750378.db2.gz COFUSRBIVRVKKS-UHFFFAOYSA-N -1 3 391.493 3.742 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC001464182946 1064893621 /nfs/dbraw/zinc/89/36/21/1064893621.db2.gz YGHNVXNYTHJOQD-LBPRGKRZSA-N -1 3 381.457 3.960 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC001464187592 1064897649 /nfs/dbraw/zinc/89/76/49/1064897649.db2.gz QNIXJTLTWOIVKR-OAHLLOKOSA-N -1 3 389.455 3.965 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3nc(CC)cs3)CC2)c1 ZINC001352413329 1065029269 /nfs/dbraw/zinc/02/92/69/1065029269.db2.gz XGSNJHVTWLGLLY-UHFFFAOYSA-N -1 3 399.516 3.631 20 0 GHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001464527183 1065064434 /nfs/dbraw/zinc/06/44/34/1065064434.db2.gz CBRPCINJNNLEJK-SCZZXKLOSA-N -1 3 386.233 3.935 20 0 GHADHM CC(C)[C@@H](CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC001300044227 1065106575 /nfs/dbraw/zinc/10/65/75/1065106575.db2.gz ZJFWFWUEKQYQDQ-UAGQMJEPSA-N -1 3 384.442 3.874 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)CC2)s1 ZINC001464665111 1065145088 /nfs/dbraw/zinc/14/50/88/1065145088.db2.gz IOTUGZXEWRMQSJ-HOTGVXAUSA-N -1 3 393.530 3.930 20 0 GHADHM COc1ccc(CCNC(=S)Nc2ccc(C)c([O-])c2Cl)cc1OC ZINC001200079956 1065151194 /nfs/dbraw/zinc/15/11/94/1065151194.db2.gz ZMYJVOAXOTXOBD-UHFFFAOYSA-N -1 3 380.897 3.900 20 0 GHADHM CCOc1ccc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC001464728904 1065179609 /nfs/dbraw/zinc/17/96/09/1065179609.db2.gz YDMXUAIDIXTUJR-UHFFFAOYSA-N -1 3 377.437 3.800 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(C(=S)Nc2cccc3ccccc32)CC1 ZINC001200100032 1065215407 /nfs/dbraw/zinc/21/54/07/1065215407.db2.gz DPBLNIWBJSPUHY-UHFFFAOYSA-N -1 3 391.496 3.700 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)[n-]1 ZINC001465475217 1065645111 /nfs/dbraw/zinc/64/51/11/1065645111.db2.gz NTRLDPHRQQRRSB-UHFFFAOYSA-N -1 3 381.457 3.974 20 0 GHADHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Cc2ccc([O-])c(Cl)c2)c(C)c1 ZINC001466295078 1066078539 /nfs/dbraw/zinc/07/85/39/1066078539.db2.gz YHVZCRUHKIMGLU-LJQANCHMSA-N -1 3 383.879 3.959 20 0 GHADHM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CCC1 ZINC001466633454 1066224825 /nfs/dbraw/zinc/22/48/25/1066224825.db2.gz YSKNXMXABNXZJD-AWEZNQCLSA-N -1 3 399.285 3.787 20 0 GHADHM Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ncccc3[O-])[C@H]2c2cccs2)cc1 ZINC001466803605 1066324424 /nfs/dbraw/zinc/32/44/24/1066324424.db2.gz OHACIDGEVDHNDU-BEFAXECRSA-N -1 3 393.468 3.890 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC001466979234 1066425397 /nfs/dbraw/zinc/42/53/97/1066425397.db2.gz SNNDRTWRYSPKNS-UHFFFAOYSA-N -1 3 379.800 3.964 20 0 GHADHM CCCCc1nc(C)c(CC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)s1 ZINC001357296540 1067037195 /nfs/dbraw/zinc/03/71/95/1067037195.db2.gz VLIDFXJKJOJDAQ-UHFFFAOYSA-N -1 3 386.477 3.638 20 0 GHADHM CCOCCCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1ccccc1C ZINC001357311405 1067042325 /nfs/dbraw/zinc/04/23/25/1067042325.db2.gz BKXQVWBHANOIEX-SFHVURJKSA-N -1 3 397.479 3.715 20 0 GHADHM Cc1c(NC(=O)c2cc3sccc3c([O-])c2)nnn1Cc1ccccc1F ZINC001467496566 1067327981 /nfs/dbraw/zinc/32/79/81/1067327981.db2.gz LPEWTWZYFZWTRE-UHFFFAOYSA-N -1 3 382.420 3.947 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874348 1067511112 /nfs/dbraw/zinc/51/11/12/1067511112.db2.gz OZTJDRQOYHHACM-HZPDHXFCSA-N -1 3 399.491 3.749 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1[O-] ZINC001468326271 1067686824 /nfs/dbraw/zinc/68/68/24/1067686824.db2.gz WPIAVHPHVNPEEF-UHFFFAOYSA-N -1 3 387.439 3.805 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001468426962 1067727620 /nfs/dbraw/zinc/72/76/20/1067727620.db2.gz ZJQOWFLOPCRYID-UHFFFAOYSA-N -1 3 375.222 3.600 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)c1[O-] ZINC001468602676 1067787285 /nfs/dbraw/zinc/78/72/85/1067787285.db2.gz WKAXAXQNOAOOAO-DLBZAZTESA-N -1 3 388.464 3.711 20 0 GHADHM CCC[C@@H](C(=O)OCC)n1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000849321827 1067799856 /nfs/dbraw/zinc/79/98/56/1067799856.db2.gz CFNKWZBCCLNRGH-INIZCTEOSA-N -1 3 399.447 3.520 20 0 GHADHM O=C(CCCCc1ccc(I)cc1)[N-]OC/C=C\Cl ZINC001468690572 1067827527 /nfs/dbraw/zinc/82/75/27/1067827527.db2.gz HWUAJVMZGPXIRE-KMKOMSMNSA-N -1 3 393.652 3.804 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c(Cl)c1 ZINC001468757180 1067863114 /nfs/dbraw/zinc/86/31/14/1067863114.db2.gz ZVRNSIIUHJRMIY-UHFFFAOYSA-N -1 3 385.855 3.875 20 0 GHADHM CCCCOc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c(Cl)c1 ZINC001468757180 1067863122 /nfs/dbraw/zinc/86/31/22/1067863122.db2.gz ZVRNSIIUHJRMIY-UHFFFAOYSA-N -1 3 385.855 3.875 20 0 GHADHM CO[C@@H](COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCC1 ZINC000849689243 1067938314 /nfs/dbraw/zinc/93/83/14/1067938314.db2.gz RLASVXASHWUFOQ-RTWAWAEBSA-N -1 3 397.471 3.612 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)[n-]n1 ZINC000542833954 1068043452 /nfs/dbraw/zinc/04/34/52/1068043452.db2.gz NWNOTQIVXPMDIE-AWEZNQCLSA-N -1 3 391.427 3.560 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n[n-]1 ZINC000542833954 1068043470 /nfs/dbraw/zinc/04/34/70/1068043470.db2.gz NWNOTQIVXPMDIE-AWEZNQCLSA-N -1 3 391.427 3.560 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](Cc1ccccc1)c1ncon1 ZINC001469601796 1068250206 /nfs/dbraw/zinc/25/02/06/1068250206.db2.gz GLHQGEHAKOGCBW-MRXNPFEDSA-N -1 3 387.386 3.660 20 0 GHADHM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC001360257213 1068427518 /nfs/dbraw/zinc/42/75/18/1068427518.db2.gz NXNYCHGUPPONCB-UHFFFAOYSA-N -1 3 397.862 3.914 20 0 GHADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001470268849 1068656003 /nfs/dbraw/zinc/65/60/03/1068656003.db2.gz ZYJOBBQKFOPZRA-YOGCLGLASA-N -1 3 380.366 3.830 20 0 GHADHM CCOC(=O)C(F)(F)[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccccc1 ZINC001460280889 1068904498 /nfs/dbraw/zinc/90/44/98/1068904498.db2.gz AIQKDJWBWBBORS-HNNXBMFYSA-N -1 3 398.356 3.538 20 0 GHADHM O=C([N-][C@@H](c1ccccc1)C(F)F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001460279949 1068904626 /nfs/dbraw/zinc/90/46/26/1068904626.db2.gz CYISATPKXFQPMO-HNNXBMFYSA-N -1 3 378.329 3.617 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC23CCCC3)ccc1F ZINC001460528439 1068989068 /nfs/dbraw/zinc/98/90/68/1068989068.db2.gz REKDJOGEEBEEHU-GOSISDBHSA-N -1 3 396.528 3.745 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](NC(=O)c1nnc3ccccc3c1[O-])CCCC2 ZINC001471563046 1073136562 /nfs/dbraw/zinc/13/65/62/1073136562.db2.gz QXDLQLPVDDZQDG-INIZCTEOSA-N -1 3 393.443 3.550 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001471802081 1073221709 /nfs/dbraw/zinc/22/17/09/1073221709.db2.gz YGPPVPWXZQWQRO-UHFFFAOYSA-N -1 3 380.366 3.798 20 0 GHADHM Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471809855 1073224406 /nfs/dbraw/zinc/22/44/06/1073224406.db2.gz KSXSUCNHXIFEHS-UHFFFAOYSA-N -1 3 384.823 3.606 20 0 GHADHM O=C(N[C@@H]([C@H]1CCOC1)C(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001472228381 1073376033 /nfs/dbraw/zinc/37/60/33/1073376033.db2.gz UYMBBEOWXZEBHC-YJBOKZPZSA-N -1 3 379.378 3.680 20 0 GHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472289230 1073400992 /nfs/dbraw/zinc/40/09/92/1073400992.db2.gz UHGGLNKVSDYXEI-KBAYOESNSA-N -1 3 391.471 3.945 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc([C@@H]2CCCOC2)cc1 ZINC001472288851 1073401655 /nfs/dbraw/zinc/40/16/55/1073401655.db2.gz MMYSVHVAWZQKQG-BHIYHBOVSA-N -1 3 381.476 3.532 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)COCCc3ccccc3)n[n-]2)cc1 ZINC001472355962 1073441903 /nfs/dbraw/zinc/44/19/03/1073441903.db2.gz ZNANEIRXKUUGTE-UHFFFAOYSA-N -1 3 382.489 3.603 20 0 GHADHM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001472396922 1073466180 /nfs/dbraw/zinc/46/61/80/1073466180.db2.gz PJPCDGARHRKBQN-SFHVURJKSA-N -1 3 390.480 3.887 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cnn(-c3ccccc3Cl)c1)c2=O ZINC001472508571 1073522112 /nfs/dbraw/zinc/52/21/12/1073522112.db2.gz ZPJHMWCMIQMFHM-UHFFFAOYSA-N -1 3 394.818 3.628 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc3cc(Br)cnc3n2)cc1[O-] ZINC001472622609 1073581726 /nfs/dbraw/zinc/58/17/26/1073581726.db2.gz POWVNLODPPPXHP-UHFFFAOYSA-N -1 3 386.205 3.553 20 0 GHADHM COc1ccc([C@H]2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)cc1 ZINC001546195176 1073764449 /nfs/dbraw/zinc/76/44/49/1073764449.db2.gz DLVYMHZBXUWLKZ-AWEZNQCLSA-N -1 3 382.847 3.820 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1CCCCC1CCOCC1)C(F)(F)F ZINC001473567661 1074020143 /nfs/dbraw/zinc/02/01/43/1074020143.db2.gz VMURLAFHIWCBEX-KRWDZBQOSA-N -1 3 384.442 3.693 20 0 GHADHM CN(Cc1ccc2c(c1)OC(F)(F)O2)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001473591202 1074035808 /nfs/dbraw/zinc/03/58/08/1074035808.db2.gz RQTKVTOVUCRWPC-UHFFFAOYSA-N -1 3 385.370 3.803 20 0 GHADHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001474769775 1074552609 /nfs/dbraw/zinc/55/26/09/1074552609.db2.gz XBSRJLXVSBGZDZ-GFCCVEGCSA-N -1 3 386.286 3.888 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCc2ccccc21)c1cc(F)ccc1Br ZINC001474820331 1074577827 /nfs/dbraw/zinc/57/78/27/1074577827.db2.gz XNCRWFHXTVCXSB-CYBMUJFWSA-N -1 3 398.297 3.987 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2F)s1 ZINC001474845037 1074590351 /nfs/dbraw/zinc/59/03/51/1074590351.db2.gz LSEPOTIUIDLFOG-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475014870 1074684110 /nfs/dbraw/zinc/68/41/10/1074684110.db2.gz WHPILTAMEAENQW-TZMCWYRMSA-N -1 3 385.835 3.841 20 0 GHADHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001475049675 1074709661 /nfs/dbraw/zinc/70/96/61/1074709661.db2.gz UVCRYGOELODFLM-OLZOCXBDSA-N -1 3 386.926 3.555 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccc(F)cc1F ZINC001475097668 1074735405 /nfs/dbraw/zinc/73/54/05/1074735405.db2.gz NEVZCWQGDLONBY-GFCCVEGCSA-N -1 3 397.369 3.537 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccccc1Cl ZINC001475179475 1074772217 /nfs/dbraw/zinc/77/22/17/1074772217.db2.gz JLQRCHMXLGOSNP-UHFFFAOYSA-N -1 3 392.889 3.625 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)(C)C)CC2)c(F)c1 ZINC001475203409 1074783500 /nfs/dbraw/zinc/78/35/00/1074783500.db2.gz RNLFHSZNLJRGHT-LSDHHAIUSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1nocc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001475300162 1074827350 /nfs/dbraw/zinc/82/73/50/1074827350.db2.gz ZNRZJQPFIGTVTC-INIZCTEOSA-N -1 3 399.497 3.855 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2c(Cl)cccc2Cl)c(F)cc1F ZINC001475339809 1074839191 /nfs/dbraw/zinc/83/91/91/1074839191.db2.gz HLBQSXXZBSCHHZ-CYBMUJFWSA-N -1 3 396.242 3.592 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)C(C)C ZINC001475370594 1074852437 /nfs/dbraw/zinc/85/24/37/1074852437.db2.gz AWFXWAQBKVPNKI-OCCSQVGLSA-N -1 3 396.734 3.824 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)OC(C)(C)C)cc1F ZINC001475417029 1074867188 /nfs/dbraw/zinc/86/71/88/1074867188.db2.gz IWKBYTVOMJMMCX-ZDUSSCGKSA-N -1 3 391.480 3.556 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC001475617587 1074928767 /nfs/dbraw/zinc/92/87/67/1074928767.db2.gz WVKYOCKTKNFEDR-ZWNOBZJWSA-N -1 3 385.835 3.842 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001475661217 1074995245 /nfs/dbraw/zinc/99/52/45/1074995245.db2.gz UBYPWIKLCLBXHP-SKDRFNHKSA-N -1 3 392.226 3.772 20 0 GHADHM O=S(=O)([N-]Cc1noc2ccccc21)c1c2ncsc2ccc1Cl ZINC001475664564 1074995742 /nfs/dbraw/zinc/99/57/42/1074995742.db2.gz WSRBVJOXTRDKSQ-UHFFFAOYSA-N -1 3 379.850 3.569 20 0 GHADHM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001475681642 1074999083 /nfs/dbraw/zinc/99/90/83/1074999083.db2.gz XEQSYFALGQGSBN-PWSUYJOCSA-N -1 3 382.309 3.640 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)C1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC001475727004 1075009643 /nfs/dbraw/zinc/00/96/43/1075009643.db2.gz PEGUOBOZQQHYRO-ZDUSSCGKSA-N -1 3 385.835 3.578 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1 ZINC001475742425 1075012715 /nfs/dbraw/zinc/01/27/15/1075012715.db2.gz TYCMZBURILJKEA-LJQANCHMSA-N -1 3 389.517 3.806 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1Oc1ccccc1Cl ZINC001475892638 1075042891 /nfs/dbraw/zinc/04/28/91/1075042891.db2.gz CXUUCEXYBALGID-CYBMUJFWSA-N -1 3 386.839 3.766 20 0 GHADHM Cc1nc(CN[C@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)c(C)s1 ZINC001600701921 1126219897 /nfs/dbraw/zinc/21/98/97/1126219897.db2.gz DYZUTHNCPBSCHE-QGZVFWFLSA-N -1 3 395.322 3.624 20 0 GHADHM Cc1nc(CN[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])sc1Br ZINC001600702370 1126220134 /nfs/dbraw/zinc/22/01/34/1126220134.db2.gz VIYNXYCPRRXSBY-HNNXBMFYSA-N -1 3 387.274 3.529 20 0 GHADHM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1cc(Br)cnc1F ZINC001601657407 1126222997 /nfs/dbraw/zinc/22/29/97/1126222997.db2.gz LGEMQGGYOTZONR-AWEZNQCLSA-N -1 3 393.212 3.515 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(C(F)(F)F)cc1 ZINC000737526035 598827305 /nfs/dbraw/zinc/82/73/05/598827305.db2.gz VOKLMQWSJXBFSM-UHFFFAOYSA-N -1 3 385.353 3.501 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(C(F)(F)F)cc1 ZINC000737526035 598827306 /nfs/dbraw/zinc/82/73/06/598827306.db2.gz VOKLMQWSJXBFSM-UHFFFAOYSA-N -1 3 385.353 3.501 20 0 GHADHM CSCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737181980 598832329 /nfs/dbraw/zinc/83/23/29/598832329.db2.gz MPTNWVLIAQHLQF-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CSCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737181980 598832330 /nfs/dbraw/zinc/83/23/30/598832330.db2.gz MPTNWVLIAQHLQF-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc(Cl)c2)c1C ZINC000737503318 598840326 /nfs/dbraw/zinc/84/03/26/598840326.db2.gz HIKUOSUXXSNUIF-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H]2CCC[C@H](C)C2)c1C ZINC000737503624 598840475 /nfs/dbraw/zinc/84/04/75/598840475.db2.gz QMFMJWJPBBQKIH-XJKSGUPXSA-N -1 3 393.495 3.824 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C[C@@H]2CCCC[C@H]2C)c1C ZINC000737502645 598840483 /nfs/dbraw/zinc/84/04/83/598840483.db2.gz GRXUWVPQWGCUBF-DYVFJYSZSA-N -1 3 393.495 3.824 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736479342 598840762 /nfs/dbraw/zinc/84/07/62/598840762.db2.gz JCHNMKOTZBVNIK-HNNXBMFYSA-N -1 3 396.470 3.731 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736479342 598840763 /nfs/dbraw/zinc/84/07/63/598840763.db2.gz JCHNMKOTZBVNIK-HNNXBMFYSA-N -1 3 396.470 3.731 20 0 GHADHM Fc1ccc(-c2noc(CCCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1F ZINC000737650394 598858551 /nfs/dbraw/zinc/85/85/51/598858551.db2.gz OTBKHKBYWBKUHG-UHFFFAOYSA-N -1 3 398.373 3.597 20 0 GHADHM Fc1ccc(-c2noc(CCCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1F ZINC000737650394 598858552 /nfs/dbraw/zinc/85/85/52/598858552.db2.gz OTBKHKBYWBKUHG-UHFFFAOYSA-N -1 3 398.373 3.597 20 0 GHADHM C[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736026593 598863643 /nfs/dbraw/zinc/86/36/43/598863643.db2.gz VPBIMHDWQGAXAC-INIZCTEOSA-N -1 3 399.454 3.731 20 0 GHADHM C[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)Oc1ccccc1 ZINC000736026593 598863645 /nfs/dbraw/zinc/86/36/45/598863645.db2.gz VPBIMHDWQGAXAC-INIZCTEOSA-N -1 3 399.454 3.731 20 0 GHADHM CC(C)N(C(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(C)C ZINC000735850372 598901444 /nfs/dbraw/zinc/90/14/44/598901444.db2.gz CTGGMQUKPONQEE-UHFFFAOYSA-N -1 3 396.520 3.666 20 0 GHADHM CC(C)N(C(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(C)C ZINC000735850372 598901446 /nfs/dbraw/zinc/90/14/46/598901446.db2.gz CTGGMQUKPONQEE-UHFFFAOYSA-N -1 3 396.520 3.666 20 0 GHADHM Cc1cccc2c1CCCN2C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737410444 598901978 /nfs/dbraw/zinc/90/19/78/598901978.db2.gz SJXSEBSRWGYBCT-UHFFFAOYSA-N -1 3 384.896 3.978 20 0 GHADHM Cc1cccc2c1CCCN2C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737410444 598901980 /nfs/dbraw/zinc/90/19/80/598901980.db2.gz SJXSEBSRWGYBCT-UHFFFAOYSA-N -1 3 384.896 3.978 20 0 GHADHM Cc1ccc(CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737337489 598911492 /nfs/dbraw/zinc/91/14/92/598911492.db2.gz NWTOHSJKDSFYBU-UHFFFAOYSA-N -1 3 378.505 3.845 20 0 GHADHM Cc1ccc(CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)cc1C ZINC000737337489 598911493 /nfs/dbraw/zinc/91/14/93/598911493.db2.gz NWTOHSJKDSFYBU-UHFFFAOYSA-N -1 3 378.505 3.845 20 0 GHADHM C[C@H]1CCCCCN1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736266197 598920095 /nfs/dbraw/zinc/92/00/95/598920095.db2.gz GSZJIUXBDWKCTN-ZDUSSCGKSA-N -1 3 397.508 3.710 20 0 GHADHM C[C@H]1CCCCCN1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736266197 598920097 /nfs/dbraw/zinc/92/00/97/598920097.db2.gz GSZJIUXBDWKCTN-ZDUSSCGKSA-N -1 3 397.508 3.710 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000736122714 598927489 /nfs/dbraw/zinc/92/74/89/598927489.db2.gz MCDLAEAXPCRGOE-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000736122714 598927490 /nfs/dbraw/zinc/92/74/90/598927490.db2.gz MCDLAEAXPCRGOE-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735752213 598928953 /nfs/dbraw/zinc/92/89/53/598928953.db2.gz ZAINIUINKNDWHF-KRWDZBQOSA-N -1 3 385.512 3.701 20 0 GHADHM CC(C)[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735752213 598928954 /nfs/dbraw/zinc/92/89/54/598928954.db2.gz ZAINIUINKNDWHF-KRWDZBQOSA-N -1 3 385.512 3.701 20 0 GHADHM CCCn1ccc2ccc(NC(=O)N(C)Cc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000736502682 598932419 /nfs/dbraw/zinc/93/24/19/598932419.db2.gz PPERYKSATHBWQF-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM CCCn1ccc2ccc(NC(=O)N(C)Cc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000736502682 598932421 /nfs/dbraw/zinc/93/24/21/598932421.db2.gz PPERYKSATHBWQF-UHFFFAOYSA-N -1 3 389.463 3.895 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000736469800 598945203 /nfs/dbraw/zinc/94/52/03/598945203.db2.gz DHLAJYBWBVKRSM-HUUCEWRRSA-N -1 3 389.525 3.518 20 0 GHADHM CCCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000736469800 598945205 /nfs/dbraw/zinc/94/52/05/598945205.db2.gz DHLAJYBWBVKRSM-HUUCEWRRSA-N -1 3 389.525 3.518 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508471 598971377 /nfs/dbraw/zinc/97/13/77/598971377.db2.gz MLONUENPNVMZJK-OMACXJQVSA-N -1 3 397.504 3.559 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000736508471 598971378 /nfs/dbraw/zinc/97/13/78/598971378.db2.gz MLONUENPNVMZJK-OMACXJQVSA-N -1 3 397.504 3.559 20 0 GHADHM O=C(c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)N1CCc2ccccc21 ZINC000738266545 598979858 /nfs/dbraw/zinc/97/98/58/598979858.db2.gz GMSQSYPJYSIMHF-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736268763 598980064 /nfs/dbraw/zinc/98/00/64/598980064.db2.gz FIUZFSCIWGEHAM-QRWLVFNGSA-N -1 3 391.475 3.754 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736469199 598985988 /nfs/dbraw/zinc/98/59/88/598985988.db2.gz AIFDEPBWHBBWGO-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CCCN(CC1CC1)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736469199 598985990 /nfs/dbraw/zinc/98/59/90/598985990.db2.gz AIFDEPBWHBBWGO-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H](N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC000736096723 598987432 /nfs/dbraw/zinc/98/74/32/598987432.db2.gz NMWGPWIFOPQCNT-OAHLLOKOSA-N -1 3 393.491 3.952 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819117 598988296 /nfs/dbraw/zinc/98/82/96/598988296.db2.gz SRYYUJCYQIZUFV-HXUWFJFHSA-N -1 3 391.475 3.560 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819117 598988297 /nfs/dbraw/zinc/98/82/97/598988297.db2.gz SRYYUJCYQIZUFV-HXUWFJFHSA-N -1 3 391.475 3.560 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000737389574 599019281 /nfs/dbraw/zinc/01/92/81/599019281.db2.gz PPVUKXAIUUQQJU-UZLBHIALSA-N -1 3 393.491 3.764 20 0 GHADHM Cc1cccc([C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000737389574 599019283 /nfs/dbraw/zinc/01/92/83/599019283.db2.gz PPVUKXAIUUQQJU-UZLBHIALSA-N -1 3 393.491 3.764 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1OCC1CCCCC1 ZINC000737358965 599039146 /nfs/dbraw/zinc/03/91/46/599039146.db2.gz CDYPSEYQJHJETE-UHFFFAOYSA-N -1 3 392.463 3.782 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1OCC1CCCCC1 ZINC000737358965 599039148 /nfs/dbraw/zinc/03/91/48/599039148.db2.gz CDYPSEYQJHJETE-UHFFFAOYSA-N -1 3 392.463 3.782 20 0 GHADHM C[C@@H](c1c(F)cccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736194582 599048525 /nfs/dbraw/zinc/04/85/25/599048525.db2.gz BHDCVBCGZHKKTN-QMMMGPOBSA-N -1 3 384.312 3.756 20 0 GHADHM C[C@@H](c1c(F)cccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736194582 599048528 /nfs/dbraw/zinc/04/85/28/599048528.db2.gz BHDCVBCGZHKKTN-QMMMGPOBSA-N -1 3 384.312 3.756 20 0 GHADHM COc1ccc(C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737073458 599049982 /nfs/dbraw/zinc/04/99/82/599049982.db2.gz RDIHQEMJSPSKCP-UHFFFAOYSA-N -1 3 392.385 3.679 20 0 GHADHM COc1ccc(C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737073458 599049986 /nfs/dbraw/zinc/04/99/86/599049986.db2.gz RDIHQEMJSPSKCP-UHFFFAOYSA-N -1 3 392.385 3.679 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nn(-c2ccccc2)c2c1CCC2 ZINC000737643115 599064744 /nfs/dbraw/zinc/06/47/44/599064744.db2.gz AKROCOIOHLHIFT-UHFFFAOYSA-N -1 3 392.463 3.973 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nn(-c2ccccc2)c2c1CCC2 ZINC000737643115 599064747 /nfs/dbraw/zinc/06/47/47/599064747.db2.gz AKROCOIOHLHIFT-UHFFFAOYSA-N -1 3 392.463 3.973 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281961 599064896 /nfs/dbraw/zinc/06/48/96/599064896.db2.gz ZTYQCLOICAZKKG-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281961 599064899 /nfs/dbraw/zinc/06/48/99/599064899.db2.gz ZTYQCLOICAZKKG-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM O=C(c1c(F)cccc1F)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000738246166 599071378 /nfs/dbraw/zinc/07/13/78/599071378.db2.gz BXLBBJDZYGUSNL-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM O=C(c1c(F)cccc1F)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000738246166 599071380 /nfs/dbraw/zinc/07/13/80/599071380.db2.gz BXLBBJDZYGUSNL-UHFFFAOYSA-N -1 3 391.381 3.992 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)s1 ZINC000736679457 599071661 /nfs/dbraw/zinc/07/16/61/599071661.db2.gz UMKOTTCJWSVSAR-ZYHUDNBSSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)s1 ZINC000736679457 599071664 /nfs/dbraw/zinc/07/16/64/599071664.db2.gz UMKOTTCJWSVSAR-ZYHUDNBSSA-N -1 3 375.404 3.511 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H](C)c1ccco1 ZINC000737281447 599071947 /nfs/dbraw/zinc/07/19/47/599071947.db2.gz ZAHMJUGNTAUJAH-CYBMUJFWSA-N -1 3 390.403 3.698 20 0 GHADHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820287163 599080393 /nfs/dbraw/zinc/08/03/93/599080393.db2.gz JNONMHDUVZNSPL-LBPRGKRZSA-N -1 3 377.370 3.903 20 0 GHADHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820287163 599080396 /nfs/dbraw/zinc/08/03/96/599080396.db2.gz JNONMHDUVZNSPL-LBPRGKRZSA-N -1 3 377.370 3.903 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)[C@H]1C ZINC000736264232 599082031 /nfs/dbraw/zinc/08/20/31/599082031.db2.gz CKKZUICDCFHOFX-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)[C@H]1C ZINC000736264232 599082033 /nfs/dbraw/zinc/08/20/33/599082033.db2.gz CKKZUICDCFHOFX-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CS[C@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000822015476 599130962 /nfs/dbraw/zinc/13/09/62/599130962.db2.gz KHKCSBFXDWVBMI-OAHLLOKOSA-N -1 3 398.536 3.990 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CS[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000822015476 599130963 /nfs/dbraw/zinc/13/09/63/599130963.db2.gz KHKCSBFXDWVBMI-OAHLLOKOSA-N -1 3 398.536 3.990 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1SCCc2sccc21 ZINC000821099226 599140965 /nfs/dbraw/zinc/14/09/65/599140965.db2.gz CFYAJISQIKVJPM-KRWDZBQOSA-N -1 3 399.545 3.697 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1SCCc2sccc21 ZINC000821099226 599140967 /nfs/dbraw/zinc/14/09/67/599140967.db2.gz CFYAJISQIKVJPM-KRWDZBQOSA-N -1 3 399.545 3.697 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1 ZINC000822203309 599141965 /nfs/dbraw/zinc/14/19/65/599141965.db2.gz NVKHXZKPTSWGNP-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000822203309 599141967 /nfs/dbraw/zinc/14/19/67/599141967.db2.gz NVKHXZKPTSWGNP-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM C/C(=C/C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)(C)C ZINC000819766137 599142798 /nfs/dbraw/zinc/14/27/98/599142798.db2.gz VOPNTGBABLPGEU-XFXZXTDPSA-N -1 3 381.402 3.750 20 0 GHADHM C/C(=C/C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)(C)C ZINC000819766137 599142801 /nfs/dbraw/zinc/14/28/01/599142801.db2.gz VOPNTGBABLPGEU-XFXZXTDPSA-N -1 3 381.402 3.750 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000736481201 599160716 /nfs/dbraw/zinc/16/07/16/599160716.db2.gz WVZPLBDECSSMAF-HOTGVXAUSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000736481201 599160717 /nfs/dbraw/zinc/16/07/17/599160717.db2.gz WVZPLBDECSSMAF-HOTGVXAUSA-N -1 3 397.429 3.687 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000737639824 599177678 /nfs/dbraw/zinc/17/76/78/599177678.db2.gz TWILWHAXJQRYPA-QGZVFWFLSA-N -1 3 389.887 3.949 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000737639824 599177679 /nfs/dbraw/zinc/17/76/79/599177679.db2.gz TWILWHAXJQRYPA-QGZVFWFLSA-N -1 3 389.887 3.949 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Oc2ccccc2)cc1 ZINC000823242314 599178220 /nfs/dbraw/zinc/17/82/20/599178220.db2.gz USFKGYGFPSWDDZ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Oc2ccccc2)cc1 ZINC000823242314 599178222 /nfs/dbraw/zinc/17/82/22/599178222.db2.gz USFKGYGFPSWDDZ-UHFFFAOYSA-N -1 3 389.390 3.728 20 0 GHADHM Cc1ccccc1C1(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCCC1 ZINC000822350800 599179286 /nfs/dbraw/zinc/17/92/86/599179286.db2.gz HHQSVCPAZWKJPR-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM Cc1ccccc1C1(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCCC1 ZINC000822350800 599179289 /nfs/dbraw/zinc/17/92/89/599179289.db2.gz HHQSVCPAZWKJPR-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737023793 599179897 /nfs/dbraw/zinc/17/98/97/599179897.db2.gz DSGMGJJQWAXCSR-SECBINFHSA-N -1 3 393.230 3.891 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737023793 599179900 /nfs/dbraw/zinc/17/99/00/599179900.db2.gz DSGMGJJQWAXCSR-SECBINFHSA-N -1 3 393.230 3.891 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nnn[n-]2)no1 ZINC000737233032 599190375 /nfs/dbraw/zinc/19/03/75/599190375.db2.gz CVNBJKYRXIATFS-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2-c2nn[n-]n2)no1 ZINC000737233032 599190378 /nfs/dbraw/zinc/19/03/78/599190378.db2.gz CVNBJKYRXIATFS-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM O=C(NCc1ccco1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738124422 599193655 /nfs/dbraw/zinc/19/36/55/599193655.db2.gz QXSSRLVXUQPORT-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NCc1ccco1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738124422 599193658 /nfs/dbraw/zinc/19/36/58/599193658.db2.gz QXSSRLVXUQPORT-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820555375 599199481 /nfs/dbraw/zinc/19/94/81/599199481.db2.gz KDSQVWMVOABVFG-OAHLLOKOSA-N -1 3 384.443 3.762 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820555375 599199483 /nfs/dbraw/zinc/19/94/83/599199483.db2.gz KDSQVWMVOABVFG-OAHLLOKOSA-N -1 3 384.443 3.762 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821071307 599218396 /nfs/dbraw/zinc/21/83/96/599218396.db2.gz AOEZJTMMVGWTPH-ZDUSSCGKSA-N -1 3 399.426 3.942 20 0 GHADHM CCCCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821071307 599218398 /nfs/dbraw/zinc/21/83/98/599218398.db2.gz AOEZJTMMVGWTPH-ZDUSSCGKSA-N -1 3 399.426 3.942 20 0 GHADHM CCc1ccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821487092 599225471 /nfs/dbraw/zinc/22/54/71/599225471.db2.gz QJMNAYSSPXQNOO-LBPRGKRZSA-N -1 3 387.534 3.601 20 0 GHADHM CCc1ccc(CNC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821487092 599225472 /nfs/dbraw/zinc/22/54/72/599225472.db2.gz QJMNAYSSPXQNOO-LBPRGKRZSA-N -1 3 387.534 3.601 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823309290 607260763 /nfs/dbraw/zinc/26/07/63/607260763.db2.gz WBHXNAPXLVSFSJ-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823309290 607260764 /nfs/dbraw/zinc/26/07/64/607260764.db2.gz WBHXNAPXLVSFSJ-QGZVFWFLSA-N -1 3 384.390 3.904 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736235898 599226366 /nfs/dbraw/zinc/22/63/66/599226366.db2.gz PTBWTZXLIARNQA-JLBUNGTFSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736235898 599226370 /nfs/dbraw/zinc/22/63/70/599226370.db2.gz PTBWTZXLIARNQA-JLBUNGTFSA-N -1 3 381.867 3.576 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820357692 607261735 /nfs/dbraw/zinc/26/17/35/607261735.db2.gz IRZUJRFIVNNGKW-UGSOOPFHSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820357692 607261736 /nfs/dbraw/zinc/26/17/36/607261736.db2.gz IRZUJRFIVNNGKW-UGSOOPFHSA-N -1 3 376.464 3.650 20 0 GHADHM C[C@@H](CCSc1ccccc1)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820248857 607261815 /nfs/dbraw/zinc/26/18/15/607261815.db2.gz OMDFNGYYTVTWAE-NSHDSACASA-N -1 3 390.415 3.873 20 0 GHADHM C[C@@H](CCSc1ccccc1)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820248857 607261816 /nfs/dbraw/zinc/26/18/16/607261816.db2.gz OMDFNGYYTVTWAE-NSHDSACASA-N -1 3 390.415 3.873 20 0 GHADHM O=C(Nc1ccccc1Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823372595 607262548 /nfs/dbraw/zinc/26/25/48/607262548.db2.gz HDLBCKIFTVYFQF-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM O=C(Nc1ccccc1Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823372595 607262549 /nfs/dbraw/zinc/26/25/49/607262549.db2.gz HDLBCKIFTVYFQF-UHFFFAOYSA-N -1 3 390.834 3.758 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737318136 599232176 /nfs/dbraw/zinc/23/21/76/599232176.db2.gz STLRJHPNSJGJJO-KAMYIIQDSA-N -1 3 375.476 3.625 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737318136 599232177 /nfs/dbraw/zinc/23/21/77/599232177.db2.gz STLRJHPNSJGJJO-KAMYIIQDSA-N -1 3 375.476 3.625 20 0 GHADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823498578 607263391 /nfs/dbraw/zinc/26/33/91/607263391.db2.gz UYFLTMKFGXFMDF-QGZVFWFLSA-N -1 3 394.866 3.597 20 0 GHADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000823498578 607263392 /nfs/dbraw/zinc/26/33/92/607263392.db2.gz UYFLTMKFGXFMDF-QGZVFWFLSA-N -1 3 394.866 3.597 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000823238487 599236681 /nfs/dbraw/zinc/23/66/81/599236681.db2.gz NZPGIRDYQWRFSF-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000823238487 599236683 /nfs/dbraw/zinc/23/66/83/599236683.db2.gz NZPGIRDYQWRFSF-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM Cc1c(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cccc1-c1nnn[n-]1 ZINC000822068791 607268123 /nfs/dbraw/zinc/26/81/23/607268123.db2.gz UUIGXOGNSZYYLG-UHFFFAOYSA-N -1 3 389.459 3.656 20 0 GHADHM Cc1c(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cccc1-c1nn[n-]n1 ZINC000822068791 607268124 /nfs/dbraw/zinc/26/81/24/607268124.db2.gz UUIGXOGNSZYYLG-UHFFFAOYSA-N -1 3 389.459 3.656 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000737090627 599255042 /nfs/dbraw/zinc/25/50/42/599255042.db2.gz LASWJXRIYZRGMV-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM COc1ccc(CN(C)c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000737090627 599255044 /nfs/dbraw/zinc/25/50/44/599255044.db2.gz LASWJXRIYZRGMV-UHFFFAOYSA-N -1 3 380.839 3.713 20 0 GHADHM C[C@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357785 599259312 /nfs/dbraw/zinc/25/93/12/599259312.db2.gz KBGZOKYFGDVXNL-KIAYWQFFSA-N -1 3 396.882 3.827 20 0 GHADHM C[C@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357785 599259314 /nfs/dbraw/zinc/25/93/14/599259314.db2.gz KBGZOKYFGDVXNL-KIAYWQFFSA-N -1 3 396.882 3.827 20 0 GHADHM Cc1c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cccc1-c1nnn[n-]1 ZINC000822116250 607295221 /nfs/dbraw/zinc/29/52/21/607295221.db2.gz OQZUDLUUHKAISN-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cccc1-c1nn[n-]n1 ZINC000822116250 607295222 /nfs/dbraw/zinc/29/52/22/607295222.db2.gz OQZUDLUUHKAISN-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1c(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cccc1-c1nnn[n-]1 ZINC000822060935 607296689 /nfs/dbraw/zinc/29/66/89/607296689.db2.gz JWDSMKORUVLUQO-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM Cc1c(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cccc1-c1nn[n-]n1 ZINC000822060935 607296690 /nfs/dbraw/zinc/29/66/90/607296690.db2.gz JWDSMKORUVLUQO-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1cc(Cl)ccc1F ZINC000735734936 599261343 /nfs/dbraw/zinc/26/13/43/599261343.db2.gz KSJDIQFCHMORFP-INIZCTEOSA-N -1 3 390.802 3.668 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1cc(Cl)ccc1F ZINC000735734936 599261346 /nfs/dbraw/zinc/26/13/46/599261346.db2.gz KSJDIQFCHMORFP-INIZCTEOSA-N -1 3 390.802 3.668 20 0 GHADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1OCc1ccncc1 ZINC000821835380 607308981 /nfs/dbraw/zinc/30/89/81/607308981.db2.gz IYPNKEHQUWRDAD-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(OCC(F)(F)F)c2)s1 ZINC000821465771 607311455 /nfs/dbraw/zinc/31/14/55/607311455.db2.gz OPUXSTXAFFKJSC-UHFFFAOYSA-N -1 3 397.382 3.684 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(OCC(F)(F)F)c2)s1 ZINC000821465771 607311456 /nfs/dbraw/zinc/31/14/56/607311456.db2.gz OPUXSTXAFFKJSC-UHFFFAOYSA-N -1 3 397.382 3.684 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822578355 607313572 /nfs/dbraw/zinc/31/35/72/607313572.db2.gz HOOIQXISLSPRAN-CYBMUJFWSA-N -1 3 391.884 3.752 20 0 GHADHM Clc1ccc(OC[C@H]2CCCO2)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822578355 607313573 /nfs/dbraw/zinc/31/35/73/607313573.db2.gz HOOIQXISLSPRAN-CYBMUJFWSA-N -1 3 391.884 3.752 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822727910 607314664 /nfs/dbraw/zinc/31/46/64/607314664.db2.gz BKECKJDUPPSWDQ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccnn1-c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822727910 607314665 /nfs/dbraw/zinc/31/46/65/607314665.db2.gz BKECKJDUPPSWDQ-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Cc1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)no1 ZINC000737248021 599267674 /nfs/dbraw/zinc/26/76/74/599267674.db2.gz CWEBCTQXYJLQBJ-QGZVFWFLSA-N -1 3 375.436 3.670 20 0 GHADHM Cc1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)no1 ZINC000737248021 599267676 /nfs/dbraw/zinc/26/76/76/599267676.db2.gz CWEBCTQXYJLQBJ-QGZVFWFLSA-N -1 3 375.436 3.670 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC(C1CCCC1)C1CCCC1 ZINC000738101409 599276801 /nfs/dbraw/zinc/27/68/01/599276801.db2.gz XCSOFLRADHKLDZ-UHFFFAOYSA-N -1 3 386.475 3.554 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC(C1CCCC1)C1CCCC1 ZINC000738101409 599276804 /nfs/dbraw/zinc/27/68/04/599276804.db2.gz XCSOFLRADHKLDZ-UHFFFAOYSA-N -1 3 386.475 3.554 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821034659 599277085 /nfs/dbraw/zinc/27/70/85/599277085.db2.gz QTDRBVOAISFAHQ-RISCZKNCSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821034659 599277087 /nfs/dbraw/zinc/27/70/87/599277087.db2.gz QTDRBVOAISFAHQ-RISCZKNCSA-N -1 3 394.426 3.901 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000736488362 599277347 /nfs/dbraw/zinc/27/73/47/599277347.db2.gz PVTLZZGZYKQNMY-CVEARBPZSA-N -1 3 380.427 3.570 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822328274 599277857 /nfs/dbraw/zinc/27/78/57/599277857.db2.gz OAGWDBFBBNJDQS-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822328274 599277859 /nfs/dbraw/zinc/27/78/59/599277859.db2.gz OAGWDBFBBNJDQS-NSHDSACASA-N -1 3 388.378 3.659 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000736487831 599279071 /nfs/dbraw/zinc/27/90/71/599279071.db2.gz LJUVQWGFNVULNG-CHWSQXEVSA-N -1 3 396.417 3.996 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820595958 599281671 /nfs/dbraw/zinc/28/16/71/599281671.db2.gz LMKZOWVINDFREV-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820595958 599281673 /nfs/dbraw/zinc/28/16/73/599281673.db2.gz LMKZOWVINDFREV-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000737221616 599283602 /nfs/dbraw/zinc/28/36/02/599283602.db2.gz OLXKNGGLKMPKEJ-UHFFFAOYSA-N -1 3 391.353 3.520 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000822208427 599284441 /nfs/dbraw/zinc/28/44/41/599284441.db2.gz QXXAJDHFIRAVQM-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000822208427 599284444 /nfs/dbraw/zinc/28/44/44/599284444.db2.gz QXXAJDHFIRAVQM-CQSZACIVSA-N -1 3 380.452 3.845 20 0 GHADHM COc1ccccc1-c1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000737143433 599288410 /nfs/dbraw/zinc/28/84/10/599288410.db2.gz QVSBFPPLDFBVQA-GFCCVEGCSA-N -1 3 393.476 3.524 20 0 GHADHM COc1ccccc1-c1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000737143433 599288412 /nfs/dbraw/zinc/28/84/12/599288412.db2.gz QVSBFPPLDFBVQA-GFCCVEGCSA-N -1 3 393.476 3.524 20 0 GHADHM Cc1c(NC(=O)C2(c3ccccc3Cl)CCOCC2)cccc1-c1nnn[n-]1 ZINC000822060440 607321772 /nfs/dbraw/zinc/32/17/72/607321772.db2.gz HJQBTAIUCBSJEO-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM Cc1c(NC(=O)C2(c3ccccc3Cl)CCOCC2)cccc1-c1nn[n-]n1 ZINC000822060440 607321773 /nfs/dbraw/zinc/32/17/73/607321773.db2.gz HJQBTAIUCBSJEO-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM O=C(Cc1cccs1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737975871 598231503 /nfs/dbraw/zinc/23/15/03/598231503.db2.gz VGUJEBNBVDLNAQ-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM O=C(Cc1cccs1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737975871 598231504 /nfs/dbraw/zinc/23/15/04/598231504.db2.gz VGUJEBNBVDLNAQ-UHFFFAOYSA-N -1 3 377.429 3.902 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@@H]1CC1(Cl)Cl ZINC000738186017 598233031 /nfs/dbraw/zinc/23/30/31/598233031.db2.gz WLYJRGSDTVJBHK-AWEZNQCLSA-N -1 3 390.230 3.791 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@@H]1CC1(Cl)Cl ZINC000738186017 598233033 /nfs/dbraw/zinc/23/30/33/598233033.db2.gz WLYJRGSDTVJBHK-AWEZNQCLSA-N -1 3 390.230 3.791 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737919030 598235486 /nfs/dbraw/zinc/23/54/86/598235486.db2.gz IQASZWIIUWWSSF-IBGZPJMESA-N -1 3 397.866 3.557 20 0 GHADHM Fc1ccc(Oc2cc(CNc3ccc(-c4nn[n-]n4)cc3F)ccn2)cc1 ZINC000737657721 598243541 /nfs/dbraw/zinc/24/35/41/598243541.db2.gz ZHUKHNIWYZJZEE-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736797880 598246926 /nfs/dbraw/zinc/24/69/26/598246926.db2.gz OAZXTDSDFZFIQW-UHFFFAOYSA-N -1 3 378.411 3.730 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736797880 598246927 /nfs/dbraw/zinc/24/69/27/598246927.db2.gz OAZXTDSDFZFIQW-UHFFFAOYSA-N -1 3 378.411 3.730 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000737355894 598264306 /nfs/dbraw/zinc/26/43/06/598264306.db2.gz BCWILVXODCZTQB-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000737355894 598264308 /nfs/dbraw/zinc/26/43/08/598264308.db2.gz BCWILVXODCZTQB-UHFFFAOYSA-N -1 3 392.463 3.559 20 0 GHADHM Clc1cc(NCc2cc(Cl)c3c(c2)OCCCO3)ccc1-c1nnn[n-]1 ZINC000737563747 598275042 /nfs/dbraw/zinc/27/50/42/598275042.db2.gz FMFYZLMKZPELQA-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM Clc1cc(NCc2cc(Cl)c3c(c2)OCCCO3)ccc1-c1nn[n-]n1 ZINC000737563747 598275043 /nfs/dbraw/zinc/27/50/43/598275043.db2.gz FMFYZLMKZPELQA-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)c1ccccc1 ZINC000735670502 598277308 /nfs/dbraw/zinc/27/73/08/598277308.db2.gz RIEPUSDSIVZXOP-UHFFFAOYSA-N -1 3 381.484 3.523 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)c1ccccc1 ZINC000735670502 598277309 /nfs/dbraw/zinc/27/73/09/598277309.db2.gz RIEPUSDSIVZXOP-UHFFFAOYSA-N -1 3 381.484 3.523 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccc(Cl)s1 ZINC000735662661 598277657 /nfs/dbraw/zinc/27/76/57/598277657.db2.gz VVIVFOZMXWGXJQ-UHFFFAOYSA-N -1 3 393.904 3.502 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(Cl)s1 ZINC000735662661 598277659 /nfs/dbraw/zinc/27/76/59/598277659.db2.gz VVIVFOZMXWGXJQ-UHFFFAOYSA-N -1 3 393.904 3.502 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737318186 598280934 /nfs/dbraw/zinc/28/09/34/598280934.db2.gz SZAXIYFZQLXUAQ-CQSZACIVSA-N -1 3 397.454 3.868 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737318186 598280936 /nfs/dbraw/zinc/28/09/36/598280936.db2.gz SZAXIYFZQLXUAQ-CQSZACIVSA-N -1 3 397.454 3.868 20 0 GHADHM C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736189092 598287301 /nfs/dbraw/zinc/28/73/01/598287301.db2.gz AMDJRLZVQJPHGX-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736189092 598287303 /nfs/dbraw/zinc/28/73/03/598287303.db2.gz AMDJRLZVQJPHGX-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM CCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000736425611 598294333 /nfs/dbraw/zinc/29/43/33/598294333.db2.gz VTLPWYRTGVGEAD-OAHLLOKOSA-N -1 3 396.470 3.906 20 0 GHADHM CCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000736425611 598294335 /nfs/dbraw/zinc/29/43/35/598294335.db2.gz VTLPWYRTGVGEAD-OAHLLOKOSA-N -1 3 396.470 3.906 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504471 598295358 /nfs/dbraw/zinc/29/53/58/598295358.db2.gz DXPKPZOUDDWDBY-OAHLLOKOSA-N -1 3 388.475 3.809 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504471 598295359 /nfs/dbraw/zinc/29/53/59/598295359.db2.gz DXPKPZOUDDWDBY-OAHLLOKOSA-N -1 3 388.475 3.809 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)c[nH]c2c1 ZINC000737371486 598296041 /nfs/dbraw/zinc/29/60/41/598296041.db2.gz DVJWTKWXDOQSJM-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)c[nH]c2c1 ZINC000737371486 598296043 /nfs/dbraw/zinc/29/60/43/598296043.db2.gz DVJWTKWXDOQSJM-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1ccc2c(CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)c[nH]c2c1 ZINC000737372774 598296382 /nfs/dbraw/zinc/29/63/82/598296382.db2.gz KEYWOKROQFWNBK-UHFFFAOYSA-N -1 3 388.475 3.636 20 0 GHADHM Cc1ccc2c(CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)c[nH]c2c1 ZINC000737372774 598296384 /nfs/dbraw/zinc/29/63/84/598296384.db2.gz KEYWOKROQFWNBK-UHFFFAOYSA-N -1 3 388.475 3.636 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C1CCCCCC1 ZINC000738173929 598296457 /nfs/dbraw/zinc/29/64/57/598296457.db2.gz WAAWUVZYTOGBBP-UHFFFAOYSA-N -1 3 378.436 3.963 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C1CCCCCC1 ZINC000738173929 598296459 /nfs/dbraw/zinc/29/64/59/598296459.db2.gz WAAWUVZYTOGBBP-UHFFFAOYSA-N -1 3 378.436 3.963 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737317812 598300241 /nfs/dbraw/zinc/30/02/41/598300241.db2.gz NMQNANQUYRTMTR-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737317812 598300243 /nfs/dbraw/zinc/30/02/43/598300243.db2.gz NMQNANQUYRTMTR-CQSZACIVSA-N -1 3 397.454 3.521 20 0 GHADHM Fc1cccc(-n2ccc(CSCCOc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000737667408 598314078 /nfs/dbraw/zinc/31/40/78/598314078.db2.gz QBCLFZSIDAYGQD-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM Fc1cccc(-n2ccc(CSCCOc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000737667408 598314080 /nfs/dbraw/zinc/31/40/80/598314080.db2.gz QBCLFZSIDAYGQD-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cc(Cl)ccc1Cl ZINC000738101373 598316682 /nfs/dbraw/zinc/31/66/82/598316682.db2.gz WGQSSPHXTUDCBQ-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cc(Cl)ccc1Cl ZINC000738101373 598316684 /nfs/dbraw/zinc/31/66/84/598316684.db2.gz WGQSSPHXTUDCBQ-UHFFFAOYSA-N -1 3 381.198 3.634 20 0 GHADHM Fc1cccc2c1N(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCC2 ZINC000737662756 598318995 /nfs/dbraw/zinc/31/89/95/598318995.db2.gz DOYZXCOASNOKNA-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM Fc1cccc2c1N(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCC2 ZINC000737662756 598318996 /nfs/dbraw/zinc/31/89/96/598318996.db2.gz DOYZXCOASNOKNA-UHFFFAOYSA-N -1 3 388.859 3.809 20 0 GHADHM S=C(NC[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400308 598319727 /nfs/dbraw/zinc/31/97/27/598319727.db2.gz DGHIVWIOIIYOTP-ZDUSSCGKSA-N -1 3 398.923 3.927 20 0 GHADHM S=C(NC[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400308 598319728 /nfs/dbraw/zinc/31/97/28/598319728.db2.gz DGHIVWIOIIYOTP-ZDUSSCGKSA-N -1 3 398.923 3.927 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)ccc1F ZINC000736126996 598320166 /nfs/dbraw/zinc/32/01/66/598320166.db2.gz QALBDZCSTIVPSB-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1F ZINC000736126996 598320167 /nfs/dbraw/zinc/32/01/67/598320167.db2.gz QALBDZCSTIVPSB-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1 ZINC000736507240 598320285 /nfs/dbraw/zinc/32/02/85/598320285.db2.gz CCMANGQETQZINS-UHFFFAOYSA-N -1 3 376.848 3.883 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1 ZINC000736507240 598320287 /nfs/dbraw/zinc/32/02/87/598320287.db2.gz CCMANGQETQZINS-UHFFFAOYSA-N -1 3 376.848 3.883 20 0 GHADHM COc1c(F)cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737025023 598322553 /nfs/dbraw/zinc/32/25/53/598322553.db2.gz KHYXPXOITCEMPS-UHFFFAOYSA-N -1 3 396.810 3.616 20 0 GHADHM COc1c(F)cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737025023 598322554 /nfs/dbraw/zinc/32/25/54/598322554.db2.gz KHYXPXOITCEMPS-UHFFFAOYSA-N -1 3 396.810 3.616 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1C1CCCC1 ZINC000738400512 598322987 /nfs/dbraw/zinc/32/29/87/598322987.db2.gz FOOFXBVFCUFFFG-OAHLLOKOSA-N -1 3 376.917 3.872 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1C1CCCC1 ZINC000738400512 598322989 /nfs/dbraw/zinc/32/29/89/598322989.db2.gz FOOFXBVFCUFFFG-OAHLLOKOSA-N -1 3 376.917 3.872 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(OC2CCCC2)c1 ZINC000738101403 598324633 /nfs/dbraw/zinc/32/46/33/598324633.db2.gz WYLWPFPRYPESOM-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(OC2CCCC2)c1 ZINC000738101403 598324634 /nfs/dbraw/zinc/32/46/34/598324634.db2.gz WYLWPFPRYPESOM-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000736256837 598325597 /nfs/dbraw/zinc/32/55/97/598325597.db2.gz YTDRJRCAEKDSDV-LBTNJELSSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000736256837 598325598 /nfs/dbraw/zinc/32/55/98/598325598.db2.gz YTDRJRCAEKDSDV-LBTNJELSSA-N -1 3 395.463 3.593 20 0 GHADHM CCc1ccc([C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C(C)C)cc1 ZINC000736685544 598326065 /nfs/dbraw/zinc/32/60/65/598326065.db2.gz MUKIMBCKYFGHLG-LJQANCHMSA-N -1 3 396.470 3.765 20 0 GHADHM CCc1ccc([C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C(C)C)cc1 ZINC000736685544 598326067 /nfs/dbraw/zinc/32/60/67/598326067.db2.gz MUKIMBCKYFGHLG-LJQANCHMSA-N -1 3 396.470 3.765 20 0 GHADHM Cc1cccc(N(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737396661 598328494 /nfs/dbraw/zinc/32/84/94/598328494.db2.gz JKPKYKHVLXQKCY-UHFFFAOYSA-N -1 3 381.505 3.850 20 0 GHADHM Cc1cccc(N(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737396661 598328496 /nfs/dbraw/zinc/32/84/96/598328496.db2.gz JKPKYKHVLXQKCY-UHFFFAOYSA-N -1 3 381.505 3.850 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736393545 598358842 /nfs/dbraw/zinc/35/88/42/598358842.db2.gz ZTKHKVSJIMDUBD-IBGZPJMESA-N -1 3 393.491 3.806 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736393545 598358844 /nfs/dbraw/zinc/35/88/44/598358844.db2.gz ZTKHKVSJIMDUBD-IBGZPJMESA-N -1 3 393.491 3.806 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736170192 598360133 /nfs/dbraw/zinc/36/01/33/598360133.db2.gz OLAMHISBZAREGQ-OLZOCXBDSA-N -1 3 393.472 3.726 20 0 GHADHM COc1ccc(NC(=S)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737104427 598378720 /nfs/dbraw/zinc/37/87/20/598378720.db2.gz PDRNKPYWVPRLIK-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc(NC(=S)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737104427 598378721 /nfs/dbraw/zinc/37/87/21/598378721.db2.gz PDRNKPYWVPRLIK-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737314647 598385542 /nfs/dbraw/zinc/38/55/42/598385542.db2.gz FOHRMTVTTNJNHZ-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737314647 598385544 /nfs/dbraw/zinc/38/55/44/598385544.db2.gz FOHRMTVTTNJNHZ-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737423591 598391314 /nfs/dbraw/zinc/39/13/14/598391314.db2.gz RJSKXXFDJQGRQB-MRXNPFEDSA-N -1 3 390.491 3.825 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737423591 598391317 /nfs/dbraw/zinc/39/13/17/598391317.db2.gz RJSKXXFDJQGRQB-MRXNPFEDSA-N -1 3 390.491 3.825 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccc(-c3nnn[n-]3)cc1)C(C)C)CC2 ZINC000737371874 598392932 /nfs/dbraw/zinc/39/29/32/598392932.db2.gz OJLOAYJDBYTTIZ-FQEVSTJZSA-N -1 3 390.491 3.783 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccc(-c3nn[n-]n3)cc1)C(C)C)CC2 ZINC000737371874 598392933 /nfs/dbraw/zinc/39/29/33/598392933.db2.gz OJLOAYJDBYTTIZ-FQEVSTJZSA-N -1 3 390.491 3.783 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2cccc(-c3nnn[n-]3)c2)s1)c1ccccc1 ZINC000736396376 598400060 /nfs/dbraw/zinc/40/00/60/598400060.db2.gz MGXWIOGMNOTZAH-HNNXBMFYSA-N -1 3 391.460 3.512 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2cccc(-c3nn[n-]n3)c2)s1)c1ccccc1 ZINC000736396376 598400061 /nfs/dbraw/zinc/40/00/61/598400061.db2.gz MGXWIOGMNOTZAH-HNNXBMFYSA-N -1 3 391.460 3.512 20 0 GHADHM Cc1nc(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2)oc1-c1ccccc1 ZINC000737472284 598410808 /nfs/dbraw/zinc/41/08/08/598410808.db2.gz SONKZJOOESWKLG-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1nc(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2)oc1-c1ccccc1 ZINC000737472284 598410809 /nfs/dbraw/zinc/41/08/09/598410809.db2.gz SONKZJOOESWKLG-UHFFFAOYSA-N -1 3 389.415 3.506 20 0 GHADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1 ZINC000737343826 598418532 /nfs/dbraw/zinc/41/85/32/598418532.db2.gz UXPYVPDEZVQDAK-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1ccc(F)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1 ZINC000737343826 598418534 /nfs/dbraw/zinc/41/85/34/598418534.db2.gz UXPYVPDEZVQDAK-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cc(Br)cs1 ZINC000737290215 598421884 /nfs/dbraw/zinc/42/18/84/598421884.db2.gz DBFBVYGULRFSFF-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cc(Br)cs1 ZINC000737290215 598421886 /nfs/dbraw/zinc/42/18/86/598421886.db2.gz DBFBVYGULRFSFF-UHFFFAOYSA-N -1 3 392.282 3.570 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000735874661 598428176 /nfs/dbraw/zinc/42/81/76/598428176.db2.gz KWWYRUJQHQXLJB-UHFFFAOYSA-N -1 3 394.523 3.611 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000735874661 598428178 /nfs/dbraw/zinc/42/81/78/598428178.db2.gz KWWYRUJQHQXLJB-UHFFFAOYSA-N -1 3 394.523 3.611 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737023447 598437962 /nfs/dbraw/zinc/43/79/62/598437962.db2.gz GFCKUVYMSHIMSP-QZTJIDSGSA-N -1 3 386.411 3.738 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737023447 598437964 /nfs/dbraw/zinc/43/79/64/598437964.db2.gz GFCKUVYMSHIMSP-QZTJIDSGSA-N -1 3 386.411 3.738 20 0 GHADHM Cc1ccc(-c2nnc(SCCOc3ccccc3-c3nnn[n-]3)o2)c(C)c1 ZINC000737288129 598439820 /nfs/dbraw/zinc/43/98/20/598439820.db2.gz IDIJQMGALJHJLG-UHFFFAOYSA-N -1 3 394.460 3.705 20 0 GHADHM Cc1ccc(-c2nnc(SCCOc3ccccc3-c3nn[n-]n3)o2)c(C)c1 ZINC000737288129 598439821 /nfs/dbraw/zinc/43/98/21/598439821.db2.gz IDIJQMGALJHJLG-UHFFFAOYSA-N -1 3 394.460 3.705 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(OC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737359956 598445876 /nfs/dbraw/zinc/44/58/76/598445876.db2.gz JAMGOTKVKYQNSR-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(OC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737359956 598445877 /nfs/dbraw/zinc/44/58/77/598445877.db2.gz JAMGOTKVKYQNSR-UHFFFAOYSA-N -1 3 399.410 3.647 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730605 598451551 /nfs/dbraw/zinc/45/15/51/598451551.db2.gz BCSQHUVHJXYSSG-QZTJIDSGSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730605 598451552 /nfs/dbraw/zinc/45/15/52/598451552.db2.gz BCSQHUVHJXYSSG-QZTJIDSGSA-N -1 3 387.418 3.926 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735671979 598467481 /nfs/dbraw/zinc/46/74/81/598467481.db2.gz YGASFRGTKMXIBQ-UHFFFAOYSA-N -1 3 390.369 3.942 20 0 GHADHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000735671979 598467482 /nfs/dbraw/zinc/46/74/82/598467482.db2.gz YGASFRGTKMXIBQ-UHFFFAOYSA-N -1 3 390.369 3.942 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738232099 598473851 /nfs/dbraw/zinc/47/38/51/598473851.db2.gz FXZUTULQVVJCNV-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738232099 598473852 /nfs/dbraw/zinc/47/38/52/598473852.db2.gz FXZUTULQVVJCNV-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737320893 598478423 /nfs/dbraw/zinc/47/84/23/598478423.db2.gz QPOHOSYXWGDLLF-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737320893 598478425 /nfs/dbraw/zinc/47/84/25/598478425.db2.gz QPOHOSYXWGDLLF-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737321667 598480129 /nfs/dbraw/zinc/48/01/29/598480129.db2.gz UTYSIFCWEIFXQL-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737321667 598480131 /nfs/dbraw/zinc/48/01/31/598480131.db2.gz UTYSIFCWEIFXQL-INIZCTEOSA-N -1 3 390.491 3.919 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736650707 598486739 /nfs/dbraw/zinc/48/67/39/598486739.db2.gz IFZBTDKQYCUDMP-ZDUSSCGKSA-N -1 3 384.461 3.662 20 0 GHADHM CCOc1ccc(SCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736650707 598486741 /nfs/dbraw/zinc/48/67/41/598486741.db2.gz IFZBTDKQYCUDMP-ZDUSSCGKSA-N -1 3 384.461 3.662 20 0 GHADHM COCc1c2ccccc2oc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737015823 598489861 /nfs/dbraw/zinc/48/98/61/598489861.db2.gz FYUXCVRVTKOGLJ-UHFFFAOYSA-N -1 3 394.435 3.568 20 0 GHADHM COCc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737015823 598489862 /nfs/dbraw/zinc/48/98/62/598489862.db2.gz FYUXCVRVTKOGLJ-UHFFFAOYSA-N -1 3 394.435 3.568 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)ccc1C ZINC000737040628 598495294 /nfs/dbraw/zinc/49/52/94/598495294.db2.gz JNYOZMAZTYIHAW-SNVBAGLBSA-N -1 3 383.477 3.622 20 0 GHADHM COc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)ccc1C ZINC000737040628 598495295 /nfs/dbraw/zinc/49/52/95/598495295.db2.gz JNYOZMAZTYIHAW-SNVBAGLBSA-N -1 3 383.477 3.622 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731041 598514834 /nfs/dbraw/zinc/51/48/34/598514834.db2.gz GAEOLRNROAZXOV-UONOGXRCSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731041 598514835 /nfs/dbraw/zinc/51/48/35/598514835.db2.gz GAEOLRNROAZXOV-UONOGXRCSA-N -1 3 388.258 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000736676355 598517433 /nfs/dbraw/zinc/51/74/33/598517433.db2.gz SJVKFKOBLAVBJH-UHFFFAOYSA-N -1 3 395.847 3.609 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000736676355 598517435 /nfs/dbraw/zinc/51/74/35/598517435.db2.gz SJVKFKOBLAVBJH-UHFFFAOYSA-N -1 3 395.847 3.609 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cc(C)ccc2Cl)c1-c1nnn[n-]1 ZINC000736675783 598518804 /nfs/dbraw/zinc/51/88/04/598518804.db2.gz NCJWLIBNZVRKDB-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)COc2cc(C)ccc2Cl)c1-c1nn[n-]n1 ZINC000736675783 598518806 /nfs/dbraw/zinc/51/88/06/598518806.db2.gz NCJWLIBNZVRKDB-UHFFFAOYSA-N -1 3 391.884 3.778 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736155769 598537225 /nfs/dbraw/zinc/53/72/25/598537225.db2.gz QKTIOBIVGCJBSI-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736155769 598537227 /nfs/dbraw/zinc/53/72/27/598537227.db2.gz QKTIOBIVGCJBSI-NSHDSACASA-N -1 3 381.823 3.848 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cc1F ZINC000737359445 598539597 /nfs/dbraw/zinc/53/95/97/598539597.db2.gz FLFKMPAFVAINFF-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM CSCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737182157 598546589 /nfs/dbraw/zinc/54/65/89/598546589.db2.gz PLTKBTMAEPSOGX-UHFFFAOYSA-N -1 3 391.403 3.583 20 0 GHADHM CSCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737182157 598546590 /nfs/dbraw/zinc/54/65/90/598546590.db2.gz PLTKBTMAEPSOGX-UHFFFAOYSA-N -1 3 391.403 3.583 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736204946 598560441 /nfs/dbraw/zinc/56/04/41/598560441.db2.gz UNUGJQCUYHPECU-LLVKDONJSA-N -1 3 388.378 3.693 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736204946 598560443 /nfs/dbraw/zinc/56/04/43/598560443.db2.gz UNUGJQCUYHPECU-LLVKDONJSA-N -1 3 388.378 3.693 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735796148 598561588 /nfs/dbraw/zinc/56/15/88/598561588.db2.gz VGYFVTAIFGPDEW-LBPRGKRZSA-N -1 3 380.399 3.511 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735796148 598561590 /nfs/dbraw/zinc/56/15/90/598561590.db2.gz VGYFVTAIFGPDEW-LBPRGKRZSA-N -1 3 380.399 3.511 20 0 GHADHM O=C(NCCCC1CCCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738054070 598562859 /nfs/dbraw/zinc/56/28/59/598562859.db2.gz BAXKXJAMZJGMAF-UHFFFAOYSA-N -1 3 380.399 3.560 20 0 GHADHM O=C(NCCCC1CCCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738054070 598562861 /nfs/dbraw/zinc/56/28/61/598562861.db2.gz BAXKXJAMZJGMAF-UHFFFAOYSA-N -1 3 380.399 3.560 20 0 GHADHM CN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736827974 598565979 /nfs/dbraw/zinc/56/59/79/598565979.db2.gz DUIXDXCKUHZUGN-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM CN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736827974 598565981 /nfs/dbraw/zinc/56/59/81/598565981.db2.gz DUIXDXCKUHZUGN-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM Clc1ccc(OCCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737573306 598566876 /nfs/dbraw/zinc/56/68/76/598566876.db2.gz JRHADKWTPVAQNO-UHFFFAOYSA-N -1 3 380.839 3.853 20 0 GHADHM Clc1ccc(OCCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737573306 598566878 /nfs/dbraw/zinc/56/68/78/598566878.db2.gz JRHADKWTPVAQNO-UHFFFAOYSA-N -1 3 380.839 3.853 20 0 GHADHM O=C(CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000737894025 598576816 /nfs/dbraw/zinc/57/68/16/598576816.db2.gz BRWSHPHHDZSROG-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000737894025 598576817 /nfs/dbraw/zinc/57/68/17/598576817.db2.gz BRWSHPHHDZSROG-UHFFFAOYSA-N -1 3 396.760 3.590 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736695592 598586197 /nfs/dbraw/zinc/58/61/97/598586197.db2.gz NZVDVSUVWZIHQO-UHFFFAOYSA-N -1 3 380.839 3.745 20 0 GHADHM CCc1cccc2c(CC(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736695592 598586199 /nfs/dbraw/zinc/58/61/99/598586199.db2.gz NZVDVSUVWZIHQO-UHFFFAOYSA-N -1 3 380.839 3.745 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cs2)c1 ZINC000737379957 598589266 /nfs/dbraw/zinc/58/92/66/598589266.db2.gz IGGKWROTRCHKAR-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM Cc1cccc(-c2nc(CC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cs2)c1 ZINC000737379957 598589269 /nfs/dbraw/zinc/58/92/69/598589269.db2.gz IGGKWROTRCHKAR-UHFFFAOYSA-N -1 3 394.435 3.619 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737925175 598590683 /nfs/dbraw/zinc/59/06/83/598590683.db2.gz OYCJNZZRFKJOGZ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737925175 598590684 /nfs/dbraw/zinc/59/06/84/598590684.db2.gz OYCJNZZRFKJOGZ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737850159 598590719 /nfs/dbraw/zinc/59/07/19/598590719.db2.gz LARZRTUJFNEQEK-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737850159 598590721 /nfs/dbraw/zinc/59/07/21/598590721.db2.gz LARZRTUJFNEQEK-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(COc2ccc(-c3nc(-c4cccnc4)no3)cc2)c1 ZINC000738445309 598609370 /nfs/dbraw/zinc/60/93/70/598609370.db2.gz HGFUGHDUQGLKEG-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(COc2ccc(-c3nc(-c4cccnc4)no3)cc2)c1 ZINC000738445309 598609371 /nfs/dbraw/zinc/60/93/71/598609371.db2.gz HGFUGHDUQGLKEG-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cn4)n3)cc2)cc1 ZINC000738433552 598611740 /nfs/dbraw/zinc/61/17/40/598611740.db2.gz SQOJOGFCKVRTQE-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cn4)n3)cc2)cc1 ZINC000738433552 598611741 /nfs/dbraw/zinc/61/17/41/598611741.db2.gz SQOJOGFCKVRTQE-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM COc1cccc(CN(CC(C)C)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737132458 598629189 /nfs/dbraw/zinc/62/91/89/598629189.db2.gz YFMNZRQZYVXKQU-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM COc1cccc(CN(CC(C)C)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737132458 598629191 /nfs/dbraw/zinc/62/91/91/598629191.db2.gz YFMNZRQZYVXKQU-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816226 598630656 /nfs/dbraw/zinc/63/06/56/598630656.db2.gz ASIRONLBQBEFGM-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816226 598630658 /nfs/dbraw/zinc/63/06/58/598630658.db2.gz ASIRONLBQBEFGM-UHFFFAOYSA-N -1 3 395.225 3.977 20 0 GHADHM CCc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000736689398 598644781 /nfs/dbraw/zinc/64/47/81/598644781.db2.gz GKJUEOIEKBNKTN-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM CCc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000736689398 598644783 /nfs/dbraw/zinc/64/47/83/598644783.db2.gz GKJUEOIEKBNKTN-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM O=C(Oc1cccc(Cl)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738246229 598645827 /nfs/dbraw/zinc/64/58/27/598645827.db2.gz CVEBOYDZTLJFJZ-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(Oc1cccc(Cl)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738246229 598645828 /nfs/dbraw/zinc/64/58/28/598645828.db2.gz CVEBOYDZTLJFJZ-UHFFFAOYSA-N -1 3 393.790 3.927 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1ccc2c(c1)CCC2 ZINC000737840708 598647365 /nfs/dbraw/zinc/64/73/65/598647365.db2.gz FCUGGAGTHYYJQN-UHFFFAOYSA-N -1 3 378.432 3.510 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1ccc2c(c1)CCC2 ZINC000737840708 598647367 /nfs/dbraw/zinc/64/73/67/598647367.db2.gz FCUGGAGTHYYJQN-UHFFFAOYSA-N -1 3 378.432 3.510 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000736731352 598647925 /nfs/dbraw/zinc/64/79/25/598647925.db2.gz ALSHGWJOYSOGSP-FQEVSTJZSA-N -1 3 391.475 3.562 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000736731352 598647928 /nfs/dbraw/zinc/64/79/28/598647928.db2.gz ALSHGWJOYSOGSP-FQEVSTJZSA-N -1 3 391.475 3.562 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736337997 598652803 /nfs/dbraw/zinc/65/28/03/598652803.db2.gz NPBZYBFGJDHVBL-UHFFFAOYSA-N -1 3 394.479 3.952 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736337997 598652804 /nfs/dbraw/zinc/65/28/04/598652804.db2.gz NPBZYBFGJDHVBL-UHFFFAOYSA-N -1 3 394.479 3.952 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736399138 598652865 /nfs/dbraw/zinc/65/28/65/598652865.db2.gz FCAAYAWBASKGTO-KBXCAEBGSA-N -1 3 392.463 3.753 20 0 GHADHM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736399138 598652866 /nfs/dbraw/zinc/65/28/66/598652866.db2.gz FCAAYAWBASKGTO-KBXCAEBGSA-N -1 3 392.463 3.753 20 0 GHADHM CCCCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736463420 598655274 /nfs/dbraw/zinc/65/52/74/598655274.db2.gz NDZYSAAASPCVJJ-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM CCCCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736463420 598655275 /nfs/dbraw/zinc/65/52/75/598655275.db2.gz NDZYSAAASPCVJJ-UHFFFAOYSA-N -1 3 383.477 3.776 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCC[C@H]1C ZINC000736502575 598657224 /nfs/dbraw/zinc/65/72/24/598657224.db2.gz OCKMBEQZZMAVRY-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCC[C@H]1C ZINC000736502575 598657226 /nfs/dbraw/zinc/65/72/26/598657226.db2.gz OCKMBEQZZMAVRY-APWZRJJASA-N -1 3 385.512 3.843 20 0 GHADHM CCCN(CC(F)F)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736469661 598657788 /nfs/dbraw/zinc/65/77/88/598657788.db2.gz JSRWICQMMNSJHD-UHFFFAOYSA-N -1 3 387.390 3.776 20 0 GHADHM CCCN(CC(F)F)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736469661 598657790 /nfs/dbraw/zinc/65/77/90/598657790.db2.gz JSRWICQMMNSJHD-UHFFFAOYSA-N -1 3 387.390 3.776 20 0 GHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737288581 598659137 /nfs/dbraw/zinc/65/91/37/598659137.db2.gz OSSYATVDCGDMIO-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737288581 598659139 /nfs/dbraw/zinc/65/91/39/598659139.db2.gz OSSYATVDCGDMIO-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000737943658 598659303 /nfs/dbraw/zinc/65/93/03/598659303.db2.gz TWKYFXOHOPQOKW-SFHVURJKSA-N -1 3 393.516 3.583 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000737943658 598659305 /nfs/dbraw/zinc/65/93/05/598659305.db2.gz TWKYFXOHOPQOKW-SFHVURJKSA-N -1 3 393.516 3.583 20 0 GHADHM O=C(Cc1c(Cl)cccc1Cl)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737953948 598703581 /nfs/dbraw/zinc/70/35/81/598703581.db2.gz PBDBSDRDMHBJFX-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(Cc1c(Cl)cccc1Cl)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737953948 598703582 /nfs/dbraw/zinc/70/35/82/598703582.db2.gz PBDBSDRDMHBJFX-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM COc1ccc(C2(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)CCCC2)cc1 ZINC000737078273 598711086 /nfs/dbraw/zinc/71/10/86/598711086.db2.gz XLAKQDWSKRTNAI-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM COc1ccc(C2(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)CCCC2)cc1 ZINC000737078273 598711088 /nfs/dbraw/zinc/71/10/88/598711088.db2.gz XLAKQDWSKRTNAI-UHFFFAOYSA-N -1 3 396.422 3.570 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737810693 598712626 /nfs/dbraw/zinc/71/26/26/598712626.db2.gz ZCEQRRIRUMSSRD-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737810693 598712628 /nfs/dbraw/zinc/71/26/28/598712628.db2.gz ZCEQRRIRUMSSRD-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM CC(C)c1cc(=O)oc2cc(OCCOc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000735921582 598717525 /nfs/dbraw/zinc/71/75/25/598717525.db2.gz VUAZPCQXBNBEAN-UHFFFAOYSA-N -1 3 392.415 3.554 20 0 GHADHM CC(C)c1cc(=O)oc2cc(OCCOc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000735921582 598717526 /nfs/dbraw/zinc/71/75/26/598717526.db2.gz VUAZPCQXBNBEAN-UHFFFAOYSA-N -1 3 392.415 3.554 20 0 GHADHM Cc1oc(-c2cccs2)nc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737549606 598723017 /nfs/dbraw/zinc/72/30/17/598723017.db2.gz ZUZKBFUGRXCQAH-UHFFFAOYSA-N -1 3 389.444 3.803 20 0 GHADHM Cc1oc(-c2cccs2)nc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737549606 598723019 /nfs/dbraw/zinc/72/30/19/598723019.db2.gz ZUZKBFUGRXCQAH-UHFFFAOYSA-N -1 3 389.444 3.803 20 0 GHADHM O=C(OC/C=C\c1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738220333 598727229 /nfs/dbraw/zinc/72/72/29/598727229.db2.gz GDPDOTBBALGCIB-DAXSKMNVSA-N -1 3 399.410 3.924 20 0 GHADHM O=C(OC/C=C\c1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738220333 598727230 /nfs/dbraw/zinc/72/72/30/598727230.db2.gz GDPDOTBBALGCIB-DAXSKMNVSA-N -1 3 399.410 3.924 20 0 GHADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736333446 598737348 /nfs/dbraw/zinc/73/73/48/598737348.db2.gz QGJYUGXYJXLOFA-LBPRGKRZSA-N -1 3 387.390 3.991 20 0 GHADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736333446 598737350 /nfs/dbraw/zinc/73/73/50/598737350.db2.gz QGJYUGXYJXLOFA-LBPRGKRZSA-N -1 3 387.390 3.991 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736154325 598739980 /nfs/dbraw/zinc/73/99/80/598739980.db2.gz UCTWFQPGJOPRCC-WDDYJBPVSA-N -1 3 394.822 3.714 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc2C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501203 598741602 /nfs/dbraw/zinc/74/16/02/598741602.db2.gz ALDYYZOOAJJOTR-SJORKVTESA-N -1 3 389.503 3.971 20 0 GHADHM CCN(C(=O)C[C@H]1CCc2ccccc2C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501203 598741604 /nfs/dbraw/zinc/74/16/04/598741604.db2.gz ALDYYZOOAJJOTR-SJORKVTESA-N -1 3 389.503 3.971 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737415136 598764649 /nfs/dbraw/zinc/76/46/49/598764649.db2.gz JTLVAYQGDSCGGF-UZLBHIALSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737415136 598764650 /nfs/dbraw/zinc/76/46/50/598764650.db2.gz JTLVAYQGDSCGGF-UZLBHIALSA-N -1 3 393.491 3.798 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736209578 598768144 /nfs/dbraw/zinc/76/81/44/598768144.db2.gz AMRPQDGVJPTMSC-CYBMUJFWSA-N -1 3 379.489 3.794 20 0 GHADHM CC1(C)C[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736209578 598768145 /nfs/dbraw/zinc/76/81/45/598768145.db2.gz AMRPQDGVJPTMSC-CYBMUJFWSA-N -1 3 379.489 3.794 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCc3c(F)cccc3F)c2c1 ZINC000737654044 598771879 /nfs/dbraw/zinc/77/18/79/598771879.db2.gz XHQKMRQWRZTADZ-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCc3c(F)cccc3F)c2c1 ZINC000737654044 598771880 /nfs/dbraw/zinc/77/18/80/598771880.db2.gz XHQKMRQWRZTADZ-UHFFFAOYSA-N -1 3 388.328 3.626 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000735830543 598783263 /nfs/dbraw/zinc/78/32/63/598783263.db2.gz HSHMEOWMYXDSFK-OAHLLOKOSA-N -1 3 394.479 3.501 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000735830543 598783264 /nfs/dbraw/zinc/78/32/64/598783264.db2.gz HSHMEOWMYXDSFK-OAHLLOKOSA-N -1 3 394.479 3.501 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CC[C@H](C)C4)cc2n1 ZINC000737381146 598788833 /nfs/dbraw/zinc/78/88/33/598788833.db2.gz VGTGQWMZVYSRSK-VIFPVBQESA-N -1 3 394.460 3.755 20 0 GHADHM Cc1ccc2oc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CC[C@H](C)C4)cc2n1 ZINC000737381146 598788834 /nfs/dbraw/zinc/78/88/34/598788834.db2.gz VGTGQWMZVYSRSK-VIFPVBQESA-N -1 3 394.460 3.755 20 0 GHADHM Fc1ccc(C2(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737649899 598789386 /nfs/dbraw/zinc/78/93/86/598789386.db2.gz LXBJMZGYIQJZAE-UHFFFAOYSA-N -1 3 388.859 3.635 20 0 GHADHM Fc1ccc(C2(NC(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000737649899 598789387 /nfs/dbraw/zinc/78/93/87/598789387.db2.gz LXBJMZGYIQJZAE-UHFFFAOYSA-N -1 3 388.859 3.635 20 0 GHADHM O=C(NC/C=C/c1ccccc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738051582 598791929 /nfs/dbraw/zinc/79/19/29/598791929.db2.gz OYZSFIUEGPFRTI-DHZHZOJOSA-N -1 3 381.439 3.977 20 0 GHADHM O=C(NC/C=C/c1ccccc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738051582 598791931 /nfs/dbraw/zinc/79/19/31/598791931.db2.gz OYZSFIUEGPFRTI-DHZHZOJOSA-N -1 3 381.439 3.977 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736209670 598798289 /nfs/dbraw/zinc/79/82/89/598798289.db2.gz DEHIQVWNWBRCIS-UHFFFAOYSA-N -1 3 397.508 3.568 20 0 GHADHM CC1(C)CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736209670 598798290 /nfs/dbraw/zinc/79/82/90/598798290.db2.gz DEHIQVWNWBRCIS-UHFFFAOYSA-N -1 3 397.508 3.568 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC2(CCCC2)C1 ZINC000823303704 599292612 /nfs/dbraw/zinc/29/26/12/599292612.db2.gz ROQXPRTWIPJEMD-UHFFFAOYSA-N -1 3 380.374 3.684 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC2(CCCC2)C1 ZINC000823303704 599292614 /nfs/dbraw/zinc/29/26/14/599292614.db2.gz ROQXPRTWIPJEMD-UHFFFAOYSA-N -1 3 380.374 3.684 20 0 GHADHM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820571290 599294026 /nfs/dbraw/zinc/29/40/26/599294026.db2.gz XNPJQXIFAKSJEK-JTQLQIEISA-N -1 3 391.357 3.505 20 0 GHADHM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820571290 599294029 /nfs/dbraw/zinc/29/40/29/599294029.db2.gz XNPJQXIFAKSJEK-JTQLQIEISA-N -1 3 391.357 3.505 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820373951 599294041 /nfs/dbraw/zinc/29/40/41/599294041.db2.gz LUZYOYUFKWTGGE-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820373951 599294042 /nfs/dbraw/zinc/29/40/42/599294042.db2.gz LUZYOYUFKWTGGE-JTQLQIEISA-N -1 3 376.342 3.768 20 0 GHADHM Clc1cccc(NCc2cc(Cl)c3c(c2)OCCCO3)c1-c1nnn[n-]1 ZINC000822568481 599311991 /nfs/dbraw/zinc/31/19/91/599311991.db2.gz RZZQDFURZRSBFI-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM Clc1cccc(NCc2cc(Cl)c3c(c2)OCCCO3)c1-c1nn[n-]n1 ZINC000822568481 599311994 /nfs/dbraw/zinc/31/19/94/599311994.db2.gz RZZQDFURZRSBFI-UHFFFAOYSA-N -1 3 392.246 3.947 20 0 GHADHM CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506053 599313533 /nfs/dbraw/zinc/31/35/33/599313533.db2.gz PJQXDAISDRVXPV-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506053 599313536 /nfs/dbraw/zinc/31/35/36/599313536.db2.gz PJQXDAISDRVXPV-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820690327 599315835 /nfs/dbraw/zinc/31/58/35/599315835.db2.gz JRGVYBYASZDNKE-GDBMZVCRSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820690327 599315838 /nfs/dbraw/zinc/31/58/38/599315838.db2.gz JRGVYBYASZDNKE-GDBMZVCRSA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820690516 599322610 /nfs/dbraw/zinc/32/26/10/599322610.db2.gz NESRPYCNJYKYJI-WMLDXEAASA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820690516 599322612 /nfs/dbraw/zinc/32/26/12/599322612.db2.gz NESRPYCNJYKYJI-WMLDXEAASA-N -1 3 393.447 3.945 20 0 GHADHM C[C@H](SCCCOc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191801 599326028 /nfs/dbraw/zinc/32/60/28/599326028.db2.gz WZXCIQOXPORTKL-ZDUSSCGKSA-N -1 3 384.461 3.859 20 0 GHADHM C[C@H](SCCCOc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191801 599326030 /nfs/dbraw/zinc/32/60/30/599326030.db2.gz WZXCIQOXPORTKL-ZDUSSCGKSA-N -1 3 384.461 3.859 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187414 599327698 /nfs/dbraw/zinc/32/76/98/599327698.db2.gz AGLYAWDJIZCPFZ-KGLIPLIRSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187414 599327701 /nfs/dbraw/zinc/32/77/01/599327701.db2.gz AGLYAWDJIZCPFZ-KGLIPLIRSA-N -1 3 399.495 3.547 20 0 GHADHM c1ccc(OCc2ccccc2NCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738434588 599329597 /nfs/dbraw/zinc/32/95/97/599329597.db2.gz FAWWUZRFCDZTRE-UHFFFAOYSA-N -1 3 387.443 3.937 20 0 GHADHM c1ccc(OCc2ccccc2NCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738434588 599329600 /nfs/dbraw/zinc/32/96/00/599329600.db2.gz FAWWUZRFCDZTRE-UHFFFAOYSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191045 599330175 /nfs/dbraw/zinc/33/01/75/599330175.db2.gz VKUOHOAPTQGAEJ-FQRJBHLQSA-N -1 3 387.553 3.990 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191045 599330178 /nfs/dbraw/zinc/33/01/78/599330178.db2.gz VKUOHOAPTQGAEJ-FQRJBHLQSA-N -1 3 387.553 3.990 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191083 599330294 /nfs/dbraw/zinc/33/02/94/599330294.db2.gz VRUTUELJQRZNHV-RDTXWAMCSA-N -1 3 379.489 3.857 20 0 GHADHM C[C@@H](S[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191083 599330298 /nfs/dbraw/zinc/33/02/98/599330298.db2.gz VRUTUELJQRZNHV-RDTXWAMCSA-N -1 3 379.489 3.857 20 0 GHADHM Cc1cccc(C)c1NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737390580 599332779 /nfs/dbraw/zinc/33/27/79/599332779.db2.gz RJJVERYCMPRDSM-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM Cc1cccc(C)c1NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737390580 599332782 /nfs/dbraw/zinc/33/27/82/599332782.db2.gz RJJVERYCMPRDSM-UHFFFAOYSA-N -1 3 390.369 3.553 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188558 599333164 /nfs/dbraw/zinc/33/31/64/599333164.db2.gz LCTOWHOQQRZQIM-OLZOCXBDSA-N -1 3 385.468 3.505 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188558 599333168 /nfs/dbraw/zinc/33/31/68/599333168.db2.gz LCTOWHOQQRZQIM-OLZOCXBDSA-N -1 3 385.468 3.505 20 0 GHADHM Cc1sc2nc([C@@H](C)Sc3ccccc3-c3nnn[n-]3)nc(N)c2c1C ZINC000822563945 599348250 /nfs/dbraw/zinc/34/82/50/599348250.db2.gz RLYSNXGONFEWJQ-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM Cc1sc2nc([C@@H](C)Sc3ccccc3-c3nn[n-]n3)nc(N)c2c1C ZINC000822563945 599348253 /nfs/dbraw/zinc/34/82/53/599348253.db2.gz RLYSNXGONFEWJQ-SNVBAGLBSA-N -1 3 383.506 3.924 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cc(-c3ccccc3)on2)c1-c1nnn[n-]1 ZINC000736674297 599374417 /nfs/dbraw/zinc/37/44/17/599374417.db2.gz BONZLUJFDCCWBW-UHFFFAOYSA-N -1 3 394.460 3.635 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2cc(-c3ccccc3)on2)c1-c1nn[n-]n1 ZINC000736674297 599374420 /nfs/dbraw/zinc/37/44/20/599374420.db2.gz BONZLUJFDCCWBW-UHFFFAOYSA-N -1 3 394.460 3.635 20 0 GHADHM CSCCCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000737181882 599379097 /nfs/dbraw/zinc/37/90/97/599379097.db2.gz KWHHRAXZGWVNRV-UHFFFAOYSA-N -1 3 399.545 3.891 20 0 GHADHM CSCCCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000737181882 599379104 /nfs/dbraw/zinc/37/91/04/599379104.db2.gz KWHHRAXZGWVNRV-UHFFFAOYSA-N -1 3 399.545 3.891 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000821518447 599387556 /nfs/dbraw/zinc/38/75/56/599387556.db2.gz UVJFJSMZEROPOA-LLVKDONJSA-N -1 3 395.398 3.917 20 0 GHADHM CCc1nnc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000821518447 599387557 /nfs/dbraw/zinc/38/75/57/599387557.db2.gz UVJFJSMZEROPOA-LLVKDONJSA-N -1 3 395.398 3.917 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)COc1cc(Cl)ccc1C ZINC000821099622 599388862 /nfs/dbraw/zinc/38/88/62/599388862.db2.gz LPBVSZFQCNGPQG-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)COc1cc(Cl)ccc1C ZINC000821099622 599388865 /nfs/dbraw/zinc/38/88/65/599388865.db2.gz LPBVSZFQCNGPQG-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM CSCCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737181202 599391339 /nfs/dbraw/zinc/39/13/39/599391339.db2.gz ILFQHZHOVHSYJW-UHFFFAOYSA-N -1 3 399.545 3.642 20 0 GHADHM CSCCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737181202 599391343 /nfs/dbraw/zinc/39/13/43/599391343.db2.gz ILFQHZHOVHSYJW-UHFFFAOYSA-N -1 3 399.545 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820374825 599409715 /nfs/dbraw/zinc/40/97/15/599409715.db2.gz QONFENFZPJQBID-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820374825 599409718 /nfs/dbraw/zinc/40/97/18/599409718.db2.gz QONFENFZPJQBID-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820298874 599419325 /nfs/dbraw/zinc/41/93/25/599419325.db2.gz BXSOXTLAOMMYNE-OLZOCXBDSA-N -1 3 384.871 3.512 20 0 GHADHM C[C@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820298874 599419327 /nfs/dbraw/zinc/41/93/27/599419327.db2.gz BXSOXTLAOMMYNE-OLZOCXBDSA-N -1 3 384.871 3.512 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821752997 607376336 /nfs/dbraw/zinc/37/63/36/607376336.db2.gz XPVSZGFELZOWBT-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000821752997 607376338 /nfs/dbraw/zinc/37/63/38/607376338.db2.gz XPVSZGFELZOWBT-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM C[C@@H](NC(=O)NCc1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366949 599424497 /nfs/dbraw/zinc/42/44/97/599424497.db2.gz QLUATSHLIDVLPL-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@@H](NC(=O)NCc1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366949 599424499 /nfs/dbraw/zinc/42/44/99/599424499.db2.gz QLUATSHLIDVLPL-GFCCVEGCSA-N -1 3 378.461 3.642 20 0 GHADHM Fc1cc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1OC1CCCC1 ZINC000822753134 599455704 /nfs/dbraw/zinc/45/57/04/599455704.db2.gz GCYQNPNHMQHGFY-UHFFFAOYSA-N -1 3 393.426 3.587 20 0 GHADHM Fc1cc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1OC1CCCC1 ZINC000822753134 599455706 /nfs/dbraw/zinc/45/57/06/599455706.db2.gz GCYQNPNHMQHGFY-UHFFFAOYSA-N -1 3 393.426 3.587 20 0 GHADHM CCN(CC)c1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821198281 599456473 /nfs/dbraw/zinc/45/64/73/599456473.db2.gz QOMPTXINTQFGRA-INIZCTEOSA-N -1 3 392.507 3.936 20 0 GHADHM CCN(CC)c1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198281 599456474 /nfs/dbraw/zinc/45/64/74/599456474.db2.gz QOMPTXINTQFGRA-INIZCTEOSA-N -1 3 392.507 3.936 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821609820 599463408 /nfs/dbraw/zinc/46/34/08/599463408.db2.gz NKJFLFIJEGZCBA-UHFFFAOYSA-N -1 3 396.470 3.645 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821609820 599463409 /nfs/dbraw/zinc/46/34/09/599463409.db2.gz NKJFLFIJEGZCBA-UHFFFAOYSA-N -1 3 396.470 3.645 20 0 GHADHM Fc1ccc(N2CCC[C@H](c3nc4ccccc4s3)C2)c(-c2nnn[n-]2)c1 ZINC000822778791 599466458 /nfs/dbraw/zinc/46/64/58/599466458.db2.gz NXYVAIUWKYCALE-LBPRGKRZSA-N -1 3 380.452 4.000 20 0 GHADHM Fc1ccc(N2CCC[C@H](c3nc4ccccc4s3)C2)c(-c2nn[n-]n2)c1 ZINC000822778791 599466459 /nfs/dbraw/zinc/46/64/59/599466459.db2.gz NXYVAIUWKYCALE-LBPRGKRZSA-N -1 3 380.452 4.000 20 0 GHADHM CCC(CC)(CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820887458 599468996 /nfs/dbraw/zinc/46/89/96/599468996.db2.gz DMCOOVBUQOSEND-UHFFFAOYSA-N -1 3 392.507 3.766 20 0 GHADHM CCC(CC)(CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820887458 599468999 /nfs/dbraw/zinc/46/89/99/599468999.db2.gz DMCOOVBUQOSEND-UHFFFAOYSA-N -1 3 392.507 3.766 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192495 599470632 /nfs/dbraw/zinc/47/06/32/599470632.db2.gz QHCZIEIKHWACRP-HNNXBMFYSA-N -1 3 378.480 3.893 20 0 GHADHM CC(C)c1ccc(CN(C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192495 599470634 /nfs/dbraw/zinc/47/06/34/599470634.db2.gz QHCZIEIKHWACRP-HNNXBMFYSA-N -1 3 378.480 3.893 20 0 GHADHM COc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1OC(F)F ZINC000821821214 599471774 /nfs/dbraw/zinc/47/17/74/599471774.db2.gz BRYPMJRAXRKWHM-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1OC(F)F ZINC000821821214 599471775 /nfs/dbraw/zinc/47/17/75/599471775.db2.gz BRYPMJRAXRKWHM-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351195 599473928 /nfs/dbraw/zinc/47/39/28/599473928.db2.gz MYNPTCXRLYXHDO-KSFYIVLOSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351195 599473930 /nfs/dbraw/zinc/47/39/30/599473930.db2.gz MYNPTCXRLYXHDO-KSFYIVLOSA-N -1 3 390.491 3.691 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737180603 599501585 /nfs/dbraw/zinc/50/15/85/599501585.db2.gz GTOLKDOCKSIWNV-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737180603 599501586 /nfs/dbraw/zinc/50/15/86/599501586.db2.gz GTOLKDOCKSIWNV-CYBMUJFWSA-N -1 3 398.492 3.922 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820549261 599502494 /nfs/dbraw/zinc/50/24/94/599502494.db2.gz LLLCUQKDYPLKHB-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820549261 599502496 /nfs/dbraw/zinc/50/24/96/599502496.db2.gz LLLCUQKDYPLKHB-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM COc1ccccc1N1CCC(Nc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821898561 599506699 /nfs/dbraw/zinc/50/66/99/599506699.db2.gz QDDZYYHJGGVSQA-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM COc1ccccc1N1CCC(Nc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821898561 599506701 /nfs/dbraw/zinc/50/67/01/599506701.db2.gz QDDZYYHJGGVSQA-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000737360038 599510065 /nfs/dbraw/zinc/51/00/65/599510065.db2.gz JYNTWSCATDDXRC-JTQLQIEISA-N -1 3 391.262 3.921 20 0 GHADHM Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000737360038 599510067 /nfs/dbraw/zinc/51/00/67/599510067.db2.gz JYNTWSCATDDXRC-JTQLQIEISA-N -1 3 391.262 3.921 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000822778244 599522660 /nfs/dbraw/zinc/52/26/60/599522660.db2.gz GMVPWLYDIHIOIJ-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000822778244 599522663 /nfs/dbraw/zinc/52/26/63/599522663.db2.gz GMVPWLYDIHIOIJ-INIZCTEOSA-N -1 3 394.237 3.891 20 0 GHADHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736789625 599522795 /nfs/dbraw/zinc/52/27/95/599522795.db2.gz AKELIFDHIVQWQH-QGZVFWFLSA-N -1 3 389.381 3.636 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c2cccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820398021 599524552 /nfs/dbraw/zinc/52/45/52/599524552.db2.gz ZMRDNQQLKWEWIG-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c2cccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820398021 599524555 /nfs/dbraw/zinc/52/45/55/599524555.db2.gz ZMRDNQQLKWEWIG-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM COc1nc(C)cc(C)c1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737163263 599525053 /nfs/dbraw/zinc/52/50/53/599525053.db2.gz IQYUAFJACHVVFT-UHFFFAOYSA-N -1 3 378.358 3.518 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821095149 599529522 /nfs/dbraw/zinc/52/95/22/599529522.db2.gz YSBASZGYKWQYCB-OAHLLOKOSA-N -1 3 378.480 3.594 20 0 GHADHM CCCN(CC)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821095149 599529525 /nfs/dbraw/zinc/52/95/25/599529525.db2.gz YSBASZGYKWQYCB-OAHLLOKOSA-N -1 3 378.480 3.594 20 0 GHADHM C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820391435 599534720 /nfs/dbraw/zinc/53/47/20/599534720.db2.gz PVNOOOCAGPREBC-QMMMGPOBSA-N -1 3 380.210 3.804 20 0 GHADHM C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820391435 599534722 /nfs/dbraw/zinc/53/47/22/599534722.db2.gz PVNOOOCAGPREBC-QMMMGPOBSA-N -1 3 380.210 3.804 20 0 GHADHM CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000821128516 599537540 /nfs/dbraw/zinc/53/75/40/599537540.db2.gz WEZNDXXQEAPLNE-AWEZNQCLSA-N -1 3 395.463 3.545 20 0 GHADHM CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000821128516 599537543 /nfs/dbraw/zinc/53/75/43/599537543.db2.gz WEZNDXXQEAPLNE-AWEZNQCLSA-N -1 3 395.463 3.545 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000826251624 607382957 /nfs/dbraw/zinc/38/29/57/607382957.db2.gz VXHPCRYDJKAGGY-NSHDSACASA-N -1 3 398.373 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000826251624 607382959 /nfs/dbraw/zinc/38/29/59/607382959.db2.gz VXHPCRYDJKAGGY-NSHDSACASA-N -1 3 398.373 3.838 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2cccs2)CCCCC1 ZINC000737059243 599544846 /nfs/dbraw/zinc/54/48/46/599544846.db2.gz TUDDTJBGIYTEKW-UHFFFAOYSA-N -1 3 383.477 3.777 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2cccs2)CCCCC1 ZINC000737059243 599544848 /nfs/dbraw/zinc/54/48/48/599544848.db2.gz TUDDTJBGIYTEKW-UHFFFAOYSA-N -1 3 383.477 3.777 20 0 GHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820686715 599547684 /nfs/dbraw/zinc/54/76/84/599547684.db2.gz ZNQUKFJZKKOZAP-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H](NC(=O)c1ccc2nc(Cl)ccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396267 599552532 /nfs/dbraw/zinc/55/25/32/599552532.db2.gz DQVYABFWJLAQNP-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1ccc2nc(Cl)ccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396267 599552533 /nfs/dbraw/zinc/55/25/33/599552533.db2.gz DQVYABFWJLAQNP-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM O=C(Nc1nccs1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823356840 599556443 /nfs/dbraw/zinc/55/64/43/599556443.db2.gz OUMWLABHFLPXLW-UHFFFAOYSA-N -1 3 397.395 3.899 20 0 GHADHM O=C(Nc1nccs1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823356840 599556446 /nfs/dbraw/zinc/55/64/46/599556446.db2.gz OUMWLABHFLPXLW-UHFFFAOYSA-N -1 3 397.395 3.899 20 0 GHADHM CC(C)c1cccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000820197878 599566520 /nfs/dbraw/zinc/56/65/20/599566520.db2.gz OLSBVDMBSYXUGR-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM CC(C)c1cccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000820197878 599566523 /nfs/dbraw/zinc/56/65/23/599566523.db2.gz OLSBVDMBSYXUGR-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM C[C@H](c1ccccn1)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736201827 599567040 /nfs/dbraw/zinc/56/70/40/599567040.db2.gz ILGQCHVXAIMGTA-OAHLLOKOSA-N -1 3 399.458 3.839 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1Cc2ccccc2C1 ZINC000738272376 599570691 /nfs/dbraw/zinc/57/06/91/599570691.db2.gz BSYSLRJKHQOQHZ-UHFFFAOYSA-N -1 3 382.427 3.766 20 0 GHADHM Cc1ccc(Oc2ccc(Nc3ncc(-c4nnn[n-]4)cc3Cl)cc2)nn1 ZINC000822267523 599588712 /nfs/dbraw/zinc/58/87/12/599588712.db2.gz YRTNMKDNWNXQRX-UHFFFAOYSA-N -1 3 380.799 3.549 20 0 GHADHM Cc1ccc(Oc2ccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2)nn1 ZINC000822267523 599588715 /nfs/dbraw/zinc/58/87/15/599588715.db2.gz YRTNMKDNWNXQRX-UHFFFAOYSA-N -1 3 380.799 3.549 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736304394 599599283 /nfs/dbraw/zinc/59/92/83/599599283.db2.gz VOANFYYRWYBFJD-GFCCVEGCSA-N -1 3 397.458 3.714 20 0 GHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736304394 599599285 /nfs/dbraw/zinc/59/92/85/599599285.db2.gz VOANFYYRWYBFJD-GFCCVEGCSA-N -1 3 397.458 3.714 20 0 GHADHM Cc1cccc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737397326 599607790 /nfs/dbraw/zinc/60/77/90/599607790.db2.gz VLLPGJUZAKMIEF-UHFFFAOYSA-N -1 3 386.415 3.671 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000822232769 599629896 /nfs/dbraw/zinc/62/98/96/599629896.db2.gz APQIWPGCDJXSRC-QAPCUYQASA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000822232769 599629897 /nfs/dbraw/zinc/62/98/97/599629897.db2.gz APQIWPGCDJXSRC-QAPCUYQASA-N -1 3 397.866 3.935 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823303484 599629967 /nfs/dbraw/zinc/62/99/67/599629967.db2.gz JXXLUAWFZMUEAV-OXJNMPFZSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000823303484 599629968 /nfs/dbraw/zinc/62/99/68/599629968.db2.gz JXXLUAWFZMUEAV-OXJNMPFZSA-N -1 3 379.851 3.753 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820254217 599630093 /nfs/dbraw/zinc/63/00/93/599630093.db2.gz NUIXVKWCHORJTR-CYBMUJFWSA-N -1 3 384.459 3.770 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820254217 599630094 /nfs/dbraw/zinc/63/00/94/599630094.db2.gz NUIXVKWCHORJTR-CYBMUJFWSA-N -1 3 384.459 3.770 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)s1 ZINC000821465107 599630433 /nfs/dbraw/zinc/63/04/33/599630433.db2.gz BFPGSIPNFYXOMJ-UZLBHIALSA-N -1 3 379.489 3.723 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)s1 ZINC000821465107 599630434 /nfs/dbraw/zinc/63/04/34/599630434.db2.gz BFPGSIPNFYXOMJ-UZLBHIALSA-N -1 3 379.489 3.723 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000823066315 599631649 /nfs/dbraw/zinc/63/16/49/599631649.db2.gz URJDSUNHAANAJH-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000823066315 599631650 /nfs/dbraw/zinc/63/16/50/599631650.db2.gz URJDSUNHAANAJH-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM CCc1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)o1 ZINC000821499945 599636761 /nfs/dbraw/zinc/63/67/61/599636761.db2.gz XNQLCNXLZFFXGZ-UHFFFAOYSA-N -1 3 392.438 3.759 20 0 GHADHM CCc1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)o1 ZINC000821499945 599636762 /nfs/dbraw/zinc/63/67/62/599636762.db2.gz XNQLCNXLZFFXGZ-UHFFFAOYSA-N -1 3 392.438 3.759 20 0 GHADHM CC(C)N(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000820121225 599637287 /nfs/dbraw/zinc/63/72/87/599637287.db2.gz NLESWJSMKLEYBG-UHFFFAOYSA-N -1 3 395.854 3.985 20 0 GHADHM CC(C)N(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000820121225 599637288 /nfs/dbraw/zinc/63/72/88/599637288.db2.gz NLESWJSMKLEYBG-UHFFFAOYSA-N -1 3 395.854 3.985 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC000820151810 599647812 /nfs/dbraw/zinc/64/78/12/599647812.db2.gz NEQAZMAKWVFVLP-OAHLLOKOSA-N -1 3 395.463 3.698 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC000820151810 599647813 /nfs/dbraw/zinc/64/78/13/599647813.db2.gz NEQAZMAKWVFVLP-OAHLLOKOSA-N -1 3 395.463 3.698 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)CCOc1ccccc1 ZINC000821099600 599648099 /nfs/dbraw/zinc/64/80/99/599648099.db2.gz KKRAOXQVAXJCMW-QGZVFWFLSA-N -1 3 393.491 3.711 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)CCOc1ccccc1 ZINC000821099600 599648100 /nfs/dbraw/zinc/64/81/00/599648100.db2.gz KKRAOXQVAXJCMW-QGZVFWFLSA-N -1 3 393.491 3.711 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820920091 599648134 /nfs/dbraw/zinc/64/81/34/599648134.db2.gz KIIAXQHNZRHGGL-SNVBAGLBSA-N -1 3 397.386 3.615 20 0 GHADHM CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)(F)F)cs1 ZINC000820920091 599648135 /nfs/dbraw/zinc/64/81/35/599648135.db2.gz KIIAXQHNZRHGGL-SNVBAGLBSA-N -1 3 397.386 3.615 20 0 GHADHM CCC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000820832590 599650318 /nfs/dbraw/zinc/65/03/18/599650318.db2.gz MBPGTPINKSOBPV-ZRDIBKRKSA-N -1 3 385.830 3.769 20 0 GHADHM CCC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000820832590 599650319 /nfs/dbraw/zinc/65/03/19/599650319.db2.gz MBPGTPINKSOBPV-ZRDIBKRKSA-N -1 3 385.830 3.769 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccncc1Cl ZINC000823252949 599651481 /nfs/dbraw/zinc/65/14/81/599651481.db2.gz BFRAHMNBYYBQRP-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Cl)ccc1Cl ZINC000822978577 599651612 /nfs/dbraw/zinc/65/16/12/599651612.db2.gz MISXQKQPRIKBQX-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)ccc1Cl ZINC000822978577 599651613 /nfs/dbraw/zinc/65/16/13/599651613.db2.gz MISXQKQPRIKBQX-UHFFFAOYSA-N -1 3 377.231 3.850 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390541 599651730 /nfs/dbraw/zinc/65/17/30/599651730.db2.gz IGXIJYASEPFDDS-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390541 599651731 /nfs/dbraw/zinc/65/17/31/599651731.db2.gz IGXIJYASEPFDDS-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820967867 599656170 /nfs/dbraw/zinc/65/61/70/599656170.db2.gz XODHULSHZMECIL-CRAIPNDOSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820967867 599656171 /nfs/dbraw/zinc/65/61/71/599656171.db2.gz XODHULSHZMECIL-CRAIPNDOSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822230284 599667332 /nfs/dbraw/zinc/66/73/32/599667332.db2.gz BIHHEAGETBNACP-IFXJQAMLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822230284 599667333 /nfs/dbraw/zinc/66/73/33/599667333.db2.gz BIHHEAGETBNACP-IFXJQAMLSA-N -1 3 376.464 3.687 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482837 599667851 /nfs/dbraw/zinc/66/78/51/599667851.db2.gz VPOHLRZNNCZLNU-KBXCAEBGSA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482837 599667852 /nfs/dbraw/zinc/66/78/52/599667852.db2.gz VPOHLRZNNCZLNU-KBXCAEBGSA-N -1 3 394.479 3.705 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233549 599669260 /nfs/dbraw/zinc/66/92/60/599669260.db2.gz REKMRJQAPLVEDV-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233549 599669261 /nfs/dbraw/zinc/66/92/61/599669261.db2.gz REKMRJQAPLVEDV-IEBWSBKVSA-N -1 3 396.422 3.525 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000819965471 599671011 /nfs/dbraw/zinc/67/10/11/599671011.db2.gz HUQHJCZASXYCNF-SREVYHEPSA-N -1 3 387.440 3.516 20 0 GHADHM CC(C)(C)c1ncc(C=CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000819965471 599671012 /nfs/dbraw/zinc/67/10/12/599671012.db2.gz HUQHJCZASXYCNF-SREVYHEPSA-N -1 3 387.440 3.516 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000821105052 599678078 /nfs/dbraw/zinc/67/80/78/599678078.db2.gz WNMMTBDYFIOJJI-QXAKKESOSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000821105052 599678079 /nfs/dbraw/zinc/67/80/79/599678079.db2.gz WNMMTBDYFIOJJI-QXAKKESOSA-N -1 3 382.512 3.757 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233107 599680736 /nfs/dbraw/zinc/68/07/36/599680736.db2.gz IBPSPOQRYMKSSM-WMLDXEAASA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822233107 599680737 /nfs/dbraw/zinc/68/07/37/599680737.db2.gz IBPSPOQRYMKSSM-WMLDXEAASA-N -1 3 380.452 3.766 20 0 GHADHM FC(F)Oc1ccc(Cl)cc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000822733104 599689584 /nfs/dbraw/zinc/68/95/84/599689584.db2.gz QLKHIAPAFLNAOP-UHFFFAOYSA-N -1 3 392.797 3.617 20 0 GHADHM FC(F)Oc1ccc(Cl)cc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000822733104 599689585 /nfs/dbraw/zinc/68/95/85/599689585.db2.gz QLKHIAPAFLNAOP-UHFFFAOYSA-N -1 3 392.797 3.617 20 0 GHADHM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820570496 599690412 /nfs/dbraw/zinc/69/04/12/599690412.db2.gz KVTHHTCMXLEFKY-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM Cc1cccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1Cl ZINC000822323399 599691664 /nfs/dbraw/zinc/69/16/64/599691664.db2.gz GCNNPPDHALDQDK-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1cccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1Cl ZINC000822323399 599691665 /nfs/dbraw/zinc/69/16/65/599691665.db2.gz GCNNPPDHALDQDK-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820374594 599694461 /nfs/dbraw/zinc/69/44/61/599694461.db2.gz PCFUEGOWYQEITF-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820374594 599694462 /nfs/dbraw/zinc/69/44/62/599694462.db2.gz PCFUEGOWYQEITF-CQSZACIVSA-N -1 3 385.431 3.811 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)N1CCCCC1 ZINC000736349186 599754271 /nfs/dbraw/zinc/75/42/71/599754271.db2.gz IINKYYBZKNSHKI-IBGZPJMESA-N -1 3 378.538 3.844 20 0 GHADHM C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662944 599792592 /nfs/dbraw/zinc/79/25/92/599792592.db2.gz VMWDPSCGMIHCPE-VLIAUNLRSA-N -1 3 384.451 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1-c1nnn[n-]1 ZINC000820161328 607400276 /nfs/dbraw/zinc/40/02/76/607400276.db2.gz VLENXPKHQZOMRY-OAHLLOKOSA-N -1 3 395.488 3.872 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1-c1nn[n-]n1 ZINC000820161328 607400277 /nfs/dbraw/zinc/40/02/77/607400277.db2.gz VLENXPKHQZOMRY-OAHLLOKOSA-N -1 3 395.488 3.872 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000820169113 607403531 /nfs/dbraw/zinc/40/35/31/607403531.db2.gz FNCUXNSPCCPEPE-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000820169113 607403532 /nfs/dbraw/zinc/40/35/32/607403532.db2.gz FNCUXNSPCCPEPE-UHFFFAOYSA-N -1 3 393.781 3.838 20 0 GHADHM Cc1sc(NC(=O)N(CCc2ccccc2)CCN(C)C)c(C(=O)[O-])c1C ZINC000738997544 599880208 /nfs/dbraw/zinc/88/02/08/599880208.db2.gz QDNSHHIELRCEQQ-UHFFFAOYSA-N -1 3 389.521 3.701 20 0 GHADHM Cc1nc(CN2CCCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)oc1C ZINC000738856761 599966519 /nfs/dbraw/zinc/96/65/19/599966519.db2.gz GMPWHKOTLYDGEG-UHFFFAOYSA-N -1 3 399.516 3.912 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1csc(-c2ccccc2)n1 ZINC000826253762 607409720 /nfs/dbraw/zinc/40/97/20/607409720.db2.gz CNGGFLHKRJXMCT-UHFFFAOYSA-N -1 3 391.456 3.585 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1csc(-c2ccccc2)n1 ZINC000826253762 607409721 /nfs/dbraw/zinc/40/97/21/607409721.db2.gz CNGGFLHKRJXMCT-UHFFFAOYSA-N -1 3 391.456 3.585 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000826253126 607410965 /nfs/dbraw/zinc/41/09/65/607410965.db2.gz GASQFWOMOKMFLG-FPLPWBNLSA-N -1 3 383.477 3.686 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000826253126 607410967 /nfs/dbraw/zinc/41/09/67/607410967.db2.gz GASQFWOMOKMFLG-FPLPWBNLSA-N -1 3 383.477 3.686 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825705214 607416230 /nfs/dbraw/zinc/41/62/30/607416230.db2.gz YVZOKUPQPQKSEH-OAHLLOKOSA-N -1 3 375.476 3.728 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825705214 607416232 /nfs/dbraw/zinc/41/62/32/607416232.db2.gz YVZOKUPQPQKSEH-OAHLLOKOSA-N -1 3 375.476 3.728 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826322784 607421026 /nfs/dbraw/zinc/42/10/26/607421026.db2.gz BGZRIYNPMAFSPB-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826322784 607421028 /nfs/dbraw/zinc/42/10/28/607421028.db2.gz BGZRIYNPMAFSPB-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000820164704 607432439 /nfs/dbraw/zinc/43/24/39/607432439.db2.gz KLZNMBSOXSYKEU-QGZVFWFLSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000820164704 607432440 /nfs/dbraw/zinc/43/24/40/607432440.db2.gz KLZNMBSOXSYKEU-QGZVFWFLSA-N -1 3 396.426 3.602 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1-c1nnn[n-]1 ZINC000820164033 607434865 /nfs/dbraw/zinc/43/48/65/607434865.db2.gz AWHZFQVGFVINQX-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)Oc1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1-c1nn[n-]n1 ZINC000820164033 607434867 /nfs/dbraw/zinc/43/48/67/607434867.db2.gz AWHZFQVGFVINQX-UHFFFAOYSA-N -1 3 396.426 3.604 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736298038 600305641 /nfs/dbraw/zinc/30/56/41/600305641.db2.gz MQBDIOZSCWRCBU-VQTJNVASSA-N -1 3 398.547 3.834 20 0 GHADHM CN(Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1)C(=O)[O-] ZINC000737481400 600341745 /nfs/dbraw/zinc/34/17/45/600341745.db2.gz GDPOMCRNVKMPSM-HXUWFJFHSA-N -1 3 396.491 3.583 20 0 GHADHM O=C([O-])[C@H](NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1 ZINC000738508824 600427012 /nfs/dbraw/zinc/42/70/12/600427012.db2.gz AQNXGOASIPUXCT-HXUWFJFHSA-N -1 3 378.403 3.994 20 0 GHADHM CC(C)[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824191431 607446224 /nfs/dbraw/zinc/44/62/24/607446224.db2.gz DPLPDCPDOZZJKS-GOSISDBHSA-N -1 3 376.464 3.552 20 0 GHADHM CC(C)[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824191431 607446226 /nfs/dbraw/zinc/44/62/26/607446226.db2.gz DPLPDCPDOZZJKS-GOSISDBHSA-N -1 3 376.464 3.552 20 0 GHADHM Cc1cc2oc(=O)cc(CN(CCC(=O)[O-])C[C@H]3CCCO3)c2cc1C(C)C ZINC000738487521 600511045 /nfs/dbraw/zinc/51/10/45/600511045.db2.gz YPMDOZXWFHKTCB-QGZVFWFLSA-N -1 3 387.476 3.681 20 0 GHADHM C[C@@H](Cn1cccn1)NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000736630446 600522999 /nfs/dbraw/zinc/52/29/99/600522999.db2.gz WBPNRIMCJNKQNA-INIZCTEOSA-N -1 3 386.455 3.975 20 0 GHADHM O=C(N[C@H]1CCCCc2ccccc21)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429511 607456338 /nfs/dbraw/zinc/45/63/38/607456338.db2.gz FTXNJGUDKNYJIO-IBGZPJMESA-N -1 3 388.475 3.623 20 0 GHADHM O=C(N[C@H]1CCCCc2ccccc21)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429511 607456339 /nfs/dbraw/zinc/45/63/39/607456339.db2.gz FTXNJGUDKNYJIO-IBGZPJMESA-N -1 3 388.475 3.623 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1F ZINC000825133114 607456889 /nfs/dbraw/zinc/45/68/89/607456889.db2.gz JLIPYBQFOWDHRF-QGZVFWFLSA-N -1 3 398.417 3.585 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1F ZINC000825133114 607456891 /nfs/dbraw/zinc/45/68/91/607456891.db2.gz JLIPYBQFOWDHRF-QGZVFWFLSA-N -1 3 398.417 3.585 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)ccc1F ZINC000825134578 607457174 /nfs/dbraw/zinc/45/71/74/607457174.db2.gz VETDWNDZOWYHGJ-QGZVFWFLSA-N -1 3 398.417 3.585 20 0 GHADHM CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)ccc1F ZINC000825134578 607457175 /nfs/dbraw/zinc/45/71/75/607457175.db2.gz VETDWNDZOWYHGJ-QGZVFWFLSA-N -1 3 398.417 3.585 20 0 GHADHM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc2c(c1)CCCC2 ZINC000827727327 600690718 /nfs/dbraw/zinc/69/07/18/600690718.db2.gz IMQASZPARSPNRQ-SCLBCKFNSA-N -1 3 384.501 3.781 20 0 GHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOC1CCCCCC1)CC2 ZINC000582186482 600710728 /nfs/dbraw/zinc/71/07/28/600710728.db2.gz CRFNOLHXWKJNJO-IBGZPJMESA-N -1 3 391.508 3.817 20 0 GHADHM COc1cccc(N2CC[C@H](N[C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C2)c1 ZINC000832563082 600746901 /nfs/dbraw/zinc/74/69/01/600746901.db2.gz VDQSJPDYCJWJPQ-UGSOOPFHSA-N -1 3 395.286 3.996 20 0 GHADHM C[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Br)c1 ZINC000827502362 600758349 /nfs/dbraw/zinc/75/83/49/600758349.db2.gz KOFFLCQQCMDTMY-BDJLRTHQSA-N -1 3 382.229 3.771 20 0 GHADHM Cc1cc(CN[C@@H](Cc2nccn2C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832883227 600810079 /nfs/dbraw/zinc/81/00/79/600810079.db2.gz VCVFMQVDBODNLS-FQEVSTJZSA-N -1 3 393.487 3.574 20 0 GHADHM CN(C)Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)c1 ZINC000830620024 600927251 /nfs/dbraw/zinc/92/72/51/600927251.db2.gz NOPPDYPYHWYDIZ-UHFFFAOYSA-N -1 3 396.365 3.640 20 0 GHADHM COC(=O)c1cc2cc(CN(CC(=O)[O-])Cc3ccc(F)c(F)c3)ccc2o1 ZINC000737679539 600953371 /nfs/dbraw/zinc/95/33/71/600953371.db2.gz AKSNSHQOOMZMJM-UHFFFAOYSA-N -1 3 389.354 3.584 20 0 GHADHM Cc1cccc([C@@H]2CCCN2CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1C ZINC000738698249 600965989 /nfs/dbraw/zinc/96/59/89/600965989.db2.gz IPQONWSSDKVEQW-FQEVSTJZSA-N -1 3 381.476 3.847 20 0 GHADHM COc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826194596 607482364 /nfs/dbraw/zinc/48/23/64/607482364.db2.gz QIAXAALRJPMDFB-INIZCTEOSA-N -1 3 392.488 3.822 20 0 GHADHM CN(C)c1ccccc1CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000830644192 601006946 /nfs/dbraw/zinc/00/69/46/601006946.db2.gz UTSYVLSCJTYZGW-GOSISDBHSA-N -1 3 377.282 3.605 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)N(C)C)cc1 ZINC000832924449 601092227 /nfs/dbraw/zinc/09/22/27/601092227.db2.gz WHIMAVVCPKCPDG-LJQANCHMSA-N -1 3 383.492 3.782 20 0 GHADHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1OC1CCCC1 ZINC000821835443 607488743 /nfs/dbraw/zinc/48/87/43/607488743.db2.gz LAFKFBXBWXUBOV-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1OC1CCCC1 ZINC000821835443 607488745 /nfs/dbraw/zinc/48/87/45/607488745.db2.gz LAFKFBXBWXUBOV-UHFFFAOYSA-N -1 3 383.427 3.948 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000830513454 601130972 /nfs/dbraw/zinc/13/09/72/601130972.db2.gz AYPQORMTYLQCAN-HXUWFJFHSA-N -1 3 396.491 3.929 20 0 GHADHM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000820026134 607497930 /nfs/dbraw/zinc/49/79/30/607497930.db2.gz IFJJYLKBTAVZSY-HNNXBMFYSA-N -1 3 391.353 3.835 20 0 GHADHM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000820026134 607497933 /nfs/dbraw/zinc/49/79/33/607497933.db2.gz IFJJYLKBTAVZSY-HNNXBMFYSA-N -1 3 391.353 3.835 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000826025819 601394613 /nfs/dbraw/zinc/39/46/13/601394613.db2.gz GEIQZFJGLIPJNJ-NBHGPNQESA-N -1 3 398.478 3.616 20 0 GHADHM Cc1cc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861060 601534663 /nfs/dbraw/zinc/53/46/63/601534663.db2.gz UAAHOZRTQMJHEQ-UHFFFAOYSA-N -1 3 396.487 3.508 20 0 GHADHM CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000825833524 601633876 /nfs/dbraw/zinc/63/38/76/601633876.db2.gz CIXZRGCPBOLWAU-FQEVSTJZSA-N -1 3 376.472 3.527 20 0 GHADHM Cc1ccc(NC(=O)[C@H](NC[C@@H]2CCCN(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000740134566 602000464 /nfs/dbraw/zinc/00/04/64/602000464.db2.gz NNKUZEFOZLCLSI-FXAWDEMLSA-N -1 3 381.476 3.654 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740253585 602001013 /nfs/dbraw/zinc/00/10/13/602001013.db2.gz SROVRXXBHGSBAU-OAHLLOKOSA-N -1 3 394.878 3.512 20 0 GHADHM O=C([O-])CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCC1 ZINC000833248882 602338052 /nfs/dbraw/zinc/33/80/52/602338052.db2.gz AMOIEZCDAZQAJM-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM O=C([O-])C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CCCC1 ZINC000833248882 602338055 /nfs/dbraw/zinc/33/80/55/602338055.db2.gz AMOIEZCDAZQAJM-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM O=C([O-])C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CCCC1 ZINC000833248882 602338059 /nfs/dbraw/zinc/33/80/59/602338059.db2.gz AMOIEZCDAZQAJM-UHFFFAOYSA-N -1 3 383.473 3.893 20 0 GHADHM CN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380742402 602365003 /nfs/dbraw/zinc/36/50/03/602365003.db2.gz MINDWTCQUAGPLZ-MRXNPFEDSA-N -1 3 387.867 3.776 20 0 GHADHM Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000740182307 602603660 /nfs/dbraw/zinc/60/36/60/602603660.db2.gz FMBNXBRCRPEIKJ-UHFFFAOYSA-N -1 3 382.464 3.825 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000740708116 603043368 /nfs/dbraw/zinc/04/33/68/603043368.db2.gz YZEGBADRSSQCMT-GOSISDBHSA-N -1 3 386.427 3.874 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)N(C)C)cc1 ZINC000830262082 603375156 /nfs/dbraw/zinc/37/51/56/603375156.db2.gz HRXDRBWUSLCIIF-KXBFYZLASA-N -1 3 384.480 3.748 20 0 GHADHM CN(CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828341450 603789746 /nfs/dbraw/zinc/78/97/46/603789746.db2.gz ODAONTPATNTCNP-KWFKRQBVSA-N -1 3 393.336 3.612 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825313310 607659571 /nfs/dbraw/zinc/65/95/71/607659571.db2.gz AFPUSKOERZOLTG-IRXDYDNUSA-N -1 3 381.505 3.779 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000825313310 607659572 /nfs/dbraw/zinc/65/95/72/607659572.db2.gz AFPUSKOERZOLTG-IRXDYDNUSA-N -1 3 381.505 3.779 20 0 GHADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1OC(F)F ZINC000825133603 607662578 /nfs/dbraw/zinc/66/25/78/607662578.db2.gz OITMWIBFQJNXHL-HNNXBMFYSA-N -1 3 387.390 3.658 20 0 GHADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1OC(F)F ZINC000825133603 607662580 /nfs/dbraw/zinc/66/25/80/607662580.db2.gz OITMWIBFQJNXHL-HNNXBMFYSA-N -1 3 387.390 3.658 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1nc(C(F)(F)F)cs1 ZINC000824324137 607685649 /nfs/dbraw/zinc/68/56/49/607685649.db2.gz HXHAVUBBZLQQPB-UHFFFAOYSA-N -1 3 384.387 3.741 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1nc(C(F)(F)F)cs1 ZINC000824324137 607685650 /nfs/dbraw/zinc/68/56/50/607685650.db2.gz HXHAVUBBZLQQPB-UHFFFAOYSA-N -1 3 384.387 3.741 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826218808 607685881 /nfs/dbraw/zinc/68/58/81/607685881.db2.gz LGJXXNRHGDASEQ-GOSISDBHSA-N -1 3 377.448 3.551 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826218808 607685883 /nfs/dbraw/zinc/68/58/83/607685883.db2.gz LGJXXNRHGDASEQ-GOSISDBHSA-N -1 3 377.448 3.551 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1NC(=O)C(C)(C)C ZINC000826291042 607688899 /nfs/dbraw/zinc/68/88/99/607688899.db2.gz MPVKSMDUTGNMBF-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1NC(=O)C(C)(C)C ZINC000826291042 607688901 /nfs/dbraw/zinc/68/89/01/607688901.db2.gz MPVKSMDUTGNMBF-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM C[C@@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000825484266 604379668 /nfs/dbraw/zinc/37/96/68/604379668.db2.gz GIFUBQAYIDYXIX-FZKQIMNGSA-N -1 3 385.855 3.580 20 0 GHADHM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000263563849 604421673 /nfs/dbraw/zinc/42/16/73/604421673.db2.gz DOOMESNVVWMXAF-INIZCTEOSA-N -1 3 381.295 3.869 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)CNC2(C(=O)[O-])CCCCCC2)cc1 ZINC000833662845 604481722 /nfs/dbraw/zinc/48/17/22/604481722.db2.gz DBBDZUWRPHZEMI-LJQANCHMSA-N -1 3 388.508 3.516 20 0 GHADHM CN(C)CCN(Cc1ccccc1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830609150 604525232 /nfs/dbraw/zinc/52/52/32/604525232.db2.gz VWMZIBPCEDQTJQ-HXUWFJFHSA-N -1 3 397.519 3.612 20 0 GHADHM Cc1nc2ccccc2n1C[C@H]1CCCN1Cn1nc(C(=O)[O-])c2ccccc21 ZINC000833757001 604546932 /nfs/dbraw/zinc/54/69/32/604546932.db2.gz UAMAJIDGGYHVEM-MRXNPFEDSA-N -1 3 389.459 3.515 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826250251 607703520 /nfs/dbraw/zinc/70/35/20/607703520.db2.gz REZQTDYPMWRYCY-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826250251 607703521 /nfs/dbraw/zinc/70/35/21/607703521.db2.gz REZQTDYPMWRYCY-UHFFFAOYSA-N -1 3 375.354 3.922 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000825621171 607705163 /nfs/dbraw/zinc/70/51/63/607705163.db2.gz ONEPFQSKAUNITP-LLVKDONJSA-N -1 3 387.390 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000825621171 607705165 /nfs/dbraw/zinc/70/51/65/607705165.db2.gz ONEPFQSKAUNITP-LLVKDONJSA-N -1 3 387.390 3.676 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825075189 607705262 /nfs/dbraw/zinc/70/52/62/607705262.db2.gz NAWOXZSGHXHFAC-CQSZACIVSA-N -1 3 381.436 3.721 20 0 GHADHM CC[C@@H](C)OCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825075189 607705264 /nfs/dbraw/zinc/70/52/64/607705264.db2.gz NAWOXZSGHXHFAC-CQSZACIVSA-N -1 3 381.436 3.721 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000826244969 607710238 /nfs/dbraw/zinc/71/02/38/607710238.db2.gz JHFZWHURXUKYGM-SFHVURJKSA-N -1 3 383.402 3.821 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000826244969 607710241 /nfs/dbraw/zinc/71/02/41/607710241.db2.gz JHFZWHURXUKYGM-SFHVURJKSA-N -1 3 383.402 3.821 20 0 GHADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000825501328 604941736 /nfs/dbraw/zinc/94/17/36/604941736.db2.gz CEGYQVSRJSZNLW-CQSZACIVSA-N -1 3 381.476 3.577 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000652500541 604942344 /nfs/dbraw/zinc/94/23/44/604942344.db2.gz XLLVKBGEAAQPAP-GFCCVEGCSA-N -1 3 384.270 3.501 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000135023936 604948645 /nfs/dbraw/zinc/94/86/45/604948645.db2.gz DUPFONIKSUKENA-ZDUSSCGKSA-N -1 3 387.261 3.614 20 0 GHADHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)ccc1OCc1ccncc1 ZINC000831955351 604995031 /nfs/dbraw/zinc/99/50/31/604995031.db2.gz IBHNLCKDJNKPFC-BTYIYWSLSA-N -1 3 393.443 3.541 20 0 GHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000825503362 605118619 /nfs/dbraw/zinc/11/86/19/605118619.db2.gz RNLDYLQPMKBOQQ-CABCVRRESA-N -1 3 383.448 3.823 20 0 GHADHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000833414957 605175829 /nfs/dbraw/zinc/17/58/29/605175829.db2.gz TWWOFJCNXVSJJH-HXUWFJFHSA-N -1 3 380.488 3.624 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000833412259 605182092 /nfs/dbraw/zinc/18/20/92/605182092.db2.gz JLDYREFRKQSNAB-KRWDZBQOSA-N -1 3 392.402 3.668 20 0 GHADHM CC(C)(C)c1cn2c(n1)CC[C@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC000833450095 605358539 /nfs/dbraw/zinc/35/85/39/605358539.db2.gz YUBHVABMHDIVIH-APPDUMDISA-N -1 3 379.863 3.703 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccnc1 ZINC000824385085 607768532 /nfs/dbraw/zinc/76/85/32/607768532.db2.gz LJROTKSISJARED-LBPRGKRZSA-N -1 3 391.460 3.518 20 0 GHADHM C[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccnc1 ZINC000824385085 607768533 /nfs/dbraw/zinc/76/85/33/607768533.db2.gz LJROTKSISJARED-LBPRGKRZSA-N -1 3 391.460 3.518 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822230843 606032302 /nfs/dbraw/zinc/03/23/02/606032302.db2.gz RTZSGRPTFQKEAZ-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822230843 606032307 /nfs/dbraw/zinc/03/23/07/606032307.db2.gz RTZSGRPTFQKEAZ-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821430639 606033533 /nfs/dbraw/zinc/03/35/33/606033533.db2.gz AZGJFMPURFBHPD-HNNXBMFYSA-N -1 3 385.493 3.844 20 0 GHADHM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821430639 606033539 /nfs/dbraw/zinc/03/35/39/606033539.db2.gz AZGJFMPURFBHPD-HNNXBMFYSA-N -1 3 385.493 3.844 20 0 GHADHM O=C(Nc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1)C1CCC1 ZINC000823363466 606038821 /nfs/dbraw/zinc/03/88/21/606038821.db2.gz FFGBYMVWTXQNEM-UHFFFAOYSA-N -1 3 399.458 3.766 20 0 GHADHM O=C(Nc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1)C1CCC1 ZINC000823363466 606038828 /nfs/dbraw/zinc/03/88/28/606038828.db2.gz FFGBYMVWTXQNEM-UHFFFAOYSA-N -1 3 399.458 3.766 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717212 606109693 /nfs/dbraw/zinc/10/96/93/606109693.db2.gz OXRONMYWFVNSRY-DJJJIMSYSA-N -1 3 397.479 3.708 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820717212 606109696 /nfs/dbraw/zinc/10/96/96/606109696.db2.gz OXRONMYWFVNSRY-DJJJIMSYSA-N -1 3 397.479 3.708 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc(CC)cc1 ZINC000821401253 606125873 /nfs/dbraw/zinc/12/58/73/606125873.db2.gz TYHCAJNDKZETQK-UHFFFAOYSA-N -1 3 379.464 3.744 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc(CC)cc1 ZINC000821401253 606125875 /nfs/dbraw/zinc/12/58/75/606125875.db2.gz TYHCAJNDKZETQK-UHFFFAOYSA-N -1 3 379.464 3.744 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCO2)cc1 ZINC000822766925 606175016 /nfs/dbraw/zinc/17/50/16/606175016.db2.gz PZISWJIXYHTFJP-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCO2)cc1 ZINC000822766925 606175017 /nfs/dbraw/zinc/17/50/17/606175017.db2.gz PZISWJIXYHTFJP-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(-c2cscn2)cc1 ZINC000822978161 606182245 /nfs/dbraw/zinc/18/22/45/606182245.db2.gz DNNQNGGFKRFQRV-UHFFFAOYSA-N -1 3 377.429 3.528 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(-c2cscn2)cc1 ZINC000822978161 606182246 /nfs/dbraw/zinc/18/22/46/606182246.db2.gz DNNQNGGFKRFQRV-UHFFFAOYSA-N -1 3 377.429 3.528 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000821412034 606184713 /nfs/dbraw/zinc/18/47/13/606184713.db2.gz GJYZZXYSPVIQKI-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000821412034 606184714 /nfs/dbraw/zinc/18/47/14/606184714.db2.gz GJYZZXYSPVIQKI-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823066196 606190319 /nfs/dbraw/zinc/19/03/19/606190319.db2.gz PDZYICNWSAWYRM-UHFFFAOYSA-N -1 3 392.444 3.616 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000823066196 606190320 /nfs/dbraw/zinc/19/03/20/606190320.db2.gz PDZYICNWSAWYRM-UHFFFAOYSA-N -1 3 392.444 3.616 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822419610 606190334 /nfs/dbraw/zinc/19/03/34/606190334.db2.gz RPBRUNHCYMNUAI-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822419610 606190335 /nfs/dbraw/zinc/19/03/35/606190335.db2.gz RPBRUNHCYMNUAI-CYBMUJFWSA-N -1 3 375.388 3.748 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820726871 606196675 /nfs/dbraw/zinc/19/66/75/606196675.db2.gz CLFOEIQJSVKTIP-PIGZYNQJSA-N -1 3 382.468 3.616 20 0 GHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820726871 606196677 /nfs/dbraw/zinc/19/66/77/606196677.db2.gz CLFOEIQJSVKTIP-PIGZYNQJSA-N -1 3 382.468 3.616 20 0 GHADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821056844 606212993 /nfs/dbraw/zinc/21/29/93/606212993.db2.gz ZBBRRDYZCHHREZ-UHFFFAOYSA-N -1 3 386.887 3.691 20 0 GHADHM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821056844 606212995 /nfs/dbraw/zinc/21/29/95/606212995.db2.gz ZBBRRDYZCHHREZ-UHFFFAOYSA-N -1 3 386.887 3.691 20 0 GHADHM COc1ccccc1[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000821882734 606218929 /nfs/dbraw/zinc/21/89/29/606218929.db2.gz JIMDYXDSUQTGNZ-IBGZPJMESA-N -1 3 377.473 3.816 20 0 GHADHM COc1ccccc1[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000821882734 606218930 /nfs/dbraw/zinc/21/89/30/606218930.db2.gz JIMDYXDSUQTGNZ-IBGZPJMESA-N -1 3 377.473 3.816 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148401 606222772 /nfs/dbraw/zinc/22/27/72/606222772.db2.gz OKFLGQOMBHAEEP-KGAUPUERSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148401 606222773 /nfs/dbraw/zinc/22/27/73/606222773.db2.gz OKFLGQOMBHAEEP-KGAUPUERSA-N -1 3 391.475 3.888 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822206015 606223267 /nfs/dbraw/zinc/22/32/67/606223267.db2.gz RCBVJIGBAMZVDN-RBUKOAKNSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000822206015 606223269 /nfs/dbraw/zinc/22/32/69/606223269.db2.gz RCBVJIGBAMZVDN-RBUKOAKNSA-N -1 3 391.450 3.894 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000822209293 606248194 /nfs/dbraw/zinc/24/81/94/606248194.db2.gz BNPJBRVPBMQKDX-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1cc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000822209293 606248196 /nfs/dbraw/zinc/24/81/96/606248196.db2.gz BNPJBRVPBMQKDX-UHFFFAOYSA-N -1 3 378.417 3.567 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1NC(=O)CC(C)C ZINC000822177210 606263144 /nfs/dbraw/zinc/26/31/44/606263144.db2.gz WGHPSCWJBDUECU-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1NC(=O)CC(C)C ZINC000822177210 606263145 /nfs/dbraw/zinc/26/31/45/606263145.db2.gz WGHPSCWJBDUECU-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1Cl ZINC000822210583 606270148 /nfs/dbraw/zinc/27/01/48/606270148.db2.gz JAAPIYFPAZBESK-UHFFFAOYSA-N -1 3 389.818 3.765 20 0 GHADHM Cc1cc(OCCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1Cl ZINC000822210583 606270149 /nfs/dbraw/zinc/27/01/49/606270149.db2.gz JAAPIYFPAZBESK-UHFFFAOYSA-N -1 3 389.818 3.765 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1nccs1 ZINC000821574352 606272522 /nfs/dbraw/zinc/27/25/22/606272522.db2.gz COJMOGQVPZLMMW-UHFFFAOYSA-N -1 3 394.485 3.751 20 0 GHADHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1nccs1 ZINC000821574352 606272523 /nfs/dbraw/zinc/27/25/23/606272523.db2.gz COJMOGQVPZLMMW-UHFFFAOYSA-N -1 3 394.485 3.751 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640334 606298339 /nfs/dbraw/zinc/29/83/39/606298339.db2.gz GIRJQXIIPXMRFG-KUHUBIRLSA-N -1 3 379.464 3.555 20 0 GHADHM COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640334 606298340 /nfs/dbraw/zinc/29/83/40/606298340.db2.gz GIRJQXIIPXMRFG-KUHUBIRLSA-N -1 3 379.464 3.555 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823139881 606315333 /nfs/dbraw/zinc/31/53/33/606315333.db2.gz NGBLNIVBAZBSGR-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823139881 606315334 /nfs/dbraw/zinc/31/53/34/606315334.db2.gz NGBLNIVBAZBSGR-QGZVFWFLSA-N -1 3 396.813 3.507 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938199 606335777 /nfs/dbraw/zinc/33/57/77/606335777.db2.gz HJRJUUZXICDUBC-KSSFIOAISA-N -1 3 397.454 3.773 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938199 606335780 /nfs/dbraw/zinc/33/57/80/606335780.db2.gz HJRJUUZXICDUBC-KSSFIOAISA-N -1 3 397.454 3.773 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccccc2F)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502437 606344086 /nfs/dbraw/zinc/34/40/86/606344086.db2.gz ROWXQYDRZVJZPP-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccccc2F)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502437 606344087 /nfs/dbraw/zinc/34/40/87/606344087.db2.gz ROWXQYDRZVJZPP-LLVKDONJSA-N -1 3 379.351 3.579 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822427047 606350702 /nfs/dbraw/zinc/35/07/02/606350702.db2.gz AYTLRJBOIMIVDV-JTQLQIEISA-N -1 3 377.326 3.507 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822427047 606350703 /nfs/dbraw/zinc/35/07/03/606350703.db2.gz AYTLRJBOIMIVDV-JTQLQIEISA-N -1 3 377.326 3.507 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000821492737 606351845 /nfs/dbraw/zinc/35/18/45/606351845.db2.gz VKQOELSXCGRCAW-ZDUSSCGKSA-N -1 3 375.432 3.757 20 0 GHADHM CCc1cccc2c(CC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000821492737 606351846 /nfs/dbraw/zinc/35/18/46/606351846.db2.gz VKQOELSXCGRCAW-ZDUSSCGKSA-N -1 3 375.432 3.757 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535192 606352085 /nfs/dbraw/zinc/35/20/85/606352085.db2.gz JEEXDJOEBRWDQD-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535192 606352087 /nfs/dbraw/zinc/35/20/87/606352087.db2.gz JEEXDJOEBRWDQD-LLVKDONJSA-N -1 3 395.444 3.739 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823363591 606353819 /nfs/dbraw/zinc/35/38/19/606353819.db2.gz HUURURJZNOPCPX-UHFFFAOYSA-N -1 3 380.305 3.755 20 0 GHADHM O=C(Nc1cccc(CC(F)(F)F)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823363591 606353820 /nfs/dbraw/zinc/35/38/20/606353820.db2.gz HUURURJZNOPCPX-UHFFFAOYSA-N -1 3 380.305 3.755 20 0 GHADHM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821790396 606357056 /nfs/dbraw/zinc/35/70/56/606357056.db2.gz NCQXAXUMMILAND-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821790396 606357058 /nfs/dbraw/zinc/35/70/58/606357058.db2.gz NCQXAXUMMILAND-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM C[C@H](OC(=O)COc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494601 606357669 /nfs/dbraw/zinc/35/76/69/606357669.db2.gz BLDFCNRDFJEYNK-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494601 606357671 /nfs/dbraw/zinc/35/76/71/606357671.db2.gz BLDFCNRDFJEYNK-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM CC(C)c1ocnc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820211570 606359045 /nfs/dbraw/zinc/35/90/45/606359045.db2.gz SBWAKASAOORRGJ-UHFFFAOYSA-N -1 3 391.387 3.990 20 0 GHADHM CC(C)COCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820103294 606360602 /nfs/dbraw/zinc/36/06/02/606360602.db2.gz SXXMANDACBUWMH-UHFFFAOYSA-N -1 3 382.420 3.627 20 0 GHADHM CC(C)COCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820103294 606360603 /nfs/dbraw/zinc/36/06/03/606360603.db2.gz SXXMANDACBUWMH-UHFFFAOYSA-N -1 3 382.420 3.627 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820390186 606362380 /nfs/dbraw/zinc/36/23/80/606362380.db2.gz FWBYXSAYCPUQKU-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820390186 606362382 /nfs/dbraw/zinc/36/23/82/606362382.db2.gz FWBYXSAYCPUQKU-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cccc(-c3nnn[n-]3)c2)no1 ZINC000822361872 606363024 /nfs/dbraw/zinc/36/30/24/606363024.db2.gz JQSSBELADLCULT-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1ccccc1Cc1nc(CSCc2cccc(-c3nn[n-]n3)c2)no1 ZINC000822361872 606363026 /nfs/dbraw/zinc/36/30/26/606363026.db2.gz JQSSBELADLCULT-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822211763 606378800 /nfs/dbraw/zinc/37/88/00/606378800.db2.gz NXHVFRWYODZQFH-DZFIZOCASA-N -1 3 375.432 3.952 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000822211763 606378802 /nfs/dbraw/zinc/37/88/02/606378802.db2.gz NXHVFRWYODZQFH-DZFIZOCASA-N -1 3 375.432 3.952 20 0 GHADHM Cc1cccc(OCCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822327333 606413401 /nfs/dbraw/zinc/41/34/01/606413401.db2.gz GNHARIVWZSCEAH-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1cccc(OCCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822327333 606413402 /nfs/dbraw/zinc/41/34/02/606413402.db2.gz GNHARIVWZSCEAH-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM C[C@H]1c2ccsc2CCN1c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000820826025 606442910 /nfs/dbraw/zinc/44/29/10/606442910.db2.gz IKSHTCSLSIJWFE-VIFPVBQESA-N -1 3 384.415 3.878 20 0 GHADHM C[C@H]1c2ccsc2CCN1c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000820826025 606442912 /nfs/dbraw/zinc/44/29/12/606442912.db2.gz IKSHTCSLSIJWFE-VIFPVBQESA-N -1 3 384.415 3.878 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000821104424 606443782 /nfs/dbraw/zinc/44/37/82/606443782.db2.gz CMYNTQMRPFLEQK-OAHLLOKOSA-N -1 3 396.470 3.997 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000821104424 606443783 /nfs/dbraw/zinc/44/37/83/606443783.db2.gz CMYNTQMRPFLEQK-OAHLLOKOSA-N -1 3 396.470 3.997 20 0 GHADHM Cc1c(NCc2cc(-c3nnn[n-]3)ccc2F)cccc1OCC(F)(F)F ZINC000822121778 606455621 /nfs/dbraw/zinc/45/56/21/606455621.db2.gz GTHGJEOCBUHIRC-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1c(NCc2cc(-c3nn[n-]n3)ccc2F)cccc1OCC(F)(F)F ZINC000822121778 606455622 /nfs/dbraw/zinc/45/56/22/606455622.db2.gz GTHGJEOCBUHIRC-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM O=C(Nc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F)c1cccs1 ZINC000823373140 606456280 /nfs/dbraw/zinc/45/62/80/606456280.db2.gz RJEDCMOXTICPBL-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(Nc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F)c1cccs1 ZINC000823373140 606456281 /nfs/dbraw/zinc/45/62/81/606456281.db2.gz RJEDCMOXTICPBL-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299242 606479644 /nfs/dbraw/zinc/47/96/44/606479644.db2.gz NTZGMQXWLSGJLS-UHFFFAOYSA-N -1 3 393.457 3.557 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000823472203 606481009 /nfs/dbraw/zinc/48/10/09/606481009.db2.gz DJUHJGCTMFZKQI-GFCCVEGCSA-N -1 3 382.474 3.515 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000823472203 606481010 /nfs/dbraw/zinc/48/10/10/606481010.db2.gz DJUHJGCTMFZKQI-GFCCVEGCSA-N -1 3 382.474 3.515 20 0 GHADHM O=C(Nc1cccc(C2SCCS2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363412 606484361 /nfs/dbraw/zinc/48/43/61/606484361.db2.gz CJVZNSOELRKXPG-UHFFFAOYSA-N -1 3 375.504 3.659 20 0 GHADHM O=C(Nc1cccc(C2SCCS2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363412 606484363 /nfs/dbraw/zinc/48/43/63/606484363.db2.gz CJVZNSOELRKXPG-UHFFFAOYSA-N -1 3 375.504 3.659 20 0 GHADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000822427568 606489643 /nfs/dbraw/zinc/48/96/43/606489643.db2.gz PIEDXRIEVXLVOG-JTQLQIEISA-N -1 3 394.451 3.734 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1Cl ZINC000820335394 606491089 /nfs/dbraw/zinc/49/10/89/606491089.db2.gz XSZMVUFRANGBCV-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1Cl ZINC000820335394 606491090 /nfs/dbraw/zinc/49/10/90/606491090.db2.gz XSZMVUFRANGBCV-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM CC(C)c1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000820192246 606496644 /nfs/dbraw/zinc/49/66/44/606496644.db2.gz HCVDHXJIFPHCLP-UHFFFAOYSA-N -1 3 375.476 3.724 20 0 GHADHM CC(C)c1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000820192246 606496645 /nfs/dbraw/zinc/49/66/45/606496645.db2.gz HCVDHXJIFPHCLP-UHFFFAOYSA-N -1 3 375.476 3.724 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823140735 606517013 /nfs/dbraw/zinc/51/70/13/606517013.db2.gz YYOQOAYUWUIWLK-LLVKDONJSA-N -1 3 387.774 3.615 20 0 GHADHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823140735 606517014 /nfs/dbraw/zinc/51/70/14/606517014.db2.gz YYOQOAYUWUIWLK-LLVKDONJSA-N -1 3 387.774 3.615 20 0 GHADHM Cc1cccc2[nH]c(COC(=O)CSCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000822332286 606517411 /nfs/dbraw/zinc/51/74/11/606517411.db2.gz MPYITPNAHICDCG-UHFFFAOYSA-N -1 3 393.472 3.633 20 0 GHADHM Cc1cccc2[nH]c(COC(=O)CSCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000822332286 606517413 /nfs/dbraw/zinc/51/74/13/606517413.db2.gz MPYITPNAHICDCG-UHFFFAOYSA-N -1 3 393.472 3.633 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000819950296 606548184 /nfs/dbraw/zinc/54/81/84/606548184.db2.gz HWWIIUWYMLCEOA-JLHYYAGUSA-N -1 3 377.448 3.834 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000819950296 606548186 /nfs/dbraw/zinc/54/81/86/606548186.db2.gz HWWIIUWYMLCEOA-JLHYYAGUSA-N -1 3 377.448 3.834 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822232053 606569941 /nfs/dbraw/zinc/56/99/41/606569941.db2.gz RQSVXYFWLSIOPE-HRAATJIYSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822232053 606569943 /nfs/dbraw/zinc/56/99/43/606569943.db2.gz RQSVXYFWLSIOPE-HRAATJIYSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822232054 606570016 /nfs/dbraw/zinc/57/00/16/606570016.db2.gz RQSVXYFWLSIOPE-IERDGZPVSA-N -1 3 375.476 3.717 20 0 GHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822232054 606570018 /nfs/dbraw/zinc/57/00/18/606570018.db2.gz RQSVXYFWLSIOPE-IERDGZPVSA-N -1 3 375.476 3.717 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000821763044 606576261 /nfs/dbraw/zinc/57/62/61/606576261.db2.gz UCPXLSIVUCNDRH-QGZVFWFLSA-N -1 3 396.426 3.774 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000821763044 606576262 /nfs/dbraw/zinc/57/62/62/606576262.db2.gz UCPXLSIVUCNDRH-QGZVFWFLSA-N -1 3 396.426 3.774 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820717367 606577857 /nfs/dbraw/zinc/57/78/57/606577857.db2.gz QEIOYARJAYOCJF-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820717367 606577859 /nfs/dbraw/zinc/57/78/59/606577859.db2.gz QEIOYARJAYOCJF-UONOGXRCSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000823092810 606587606 /nfs/dbraw/zinc/58/76/06/606587606.db2.gz LSIYBDXAQWLANS-QFIPXVFZSA-N -1 3 397.482 3.552 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000823092810 606587608 /nfs/dbraw/zinc/58/76/08/606587608.db2.gz LSIYBDXAQWLANS-QFIPXVFZSA-N -1 3 397.482 3.552 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000822191556 606588167 /nfs/dbraw/zinc/58/81/67/606588167.db2.gz KEQBCAARMMKILG-HNNXBMFYSA-N -1 3 396.470 3.995 20 0 GHADHM Cc1cc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000822191556 606588169 /nfs/dbraw/zinc/58/81/69/606588169.db2.gz KEQBCAARMMKILG-HNNXBMFYSA-N -1 3 396.470 3.995 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSCc1ccnc(Cl)c1 ZINC000822733117 606599135 /nfs/dbraw/zinc/59/91/35/606599135.db2.gz QQRVBIJAOXZZBR-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSCc1ccnc(Cl)c1 ZINC000822733117 606599137 /nfs/dbraw/zinc/59/91/37/606599137.db2.gz QQRVBIJAOXZZBR-UHFFFAOYSA-N -1 3 383.811 3.950 20 0 GHADHM FC(F)(F)CCc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822714545 606600552 /nfs/dbraw/zinc/60/05/52/606600552.db2.gz OUJDWKKJBYSVIU-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765007 606603135 /nfs/dbraw/zinc/60/31/35/606603135.db2.gz MFESMGKJMLDXCW-UKVQZPPCSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765007 606603137 /nfs/dbraw/zinc/60/31/37/606603137.db2.gz MFESMGKJMLDXCW-UKVQZPPCSA-N -1 3 399.401 3.749 20 0 GHADHM FC(F)(F)CCc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000822714977 606612164 /nfs/dbraw/zinc/61/21/64/606612164.db2.gz YFOUSDFBHLMDHE-UHFFFAOYSA-N -1 3 387.369 3.621 20 0 GHADHM FC(F)(F)CCc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000822714977 606612166 /nfs/dbraw/zinc/61/21/66/606612166.db2.gz YFOUSDFBHLMDHE-UHFFFAOYSA-N -1 3 387.369 3.621 20 0 GHADHM O=C(OCc1csc(CCc2ccccc2)n1)c1sccc1-c1nnn[n-]1 ZINC000823440275 606616682 /nfs/dbraw/zinc/61/66/82/606616682.db2.gz KTJRJQYFQRCXNM-UHFFFAOYSA-N -1 3 397.485 3.527 20 0 GHADHM COc1ccc(C)cc1NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821782499 606630831 /nfs/dbraw/zinc/63/08/31/606630831.db2.gz GEABRVFJKKNWDX-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM COc1ccc(C)cc1NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821782499 606630832 /nfs/dbraw/zinc/63/08/32/606630832.db2.gz GEABRVFJKKNWDX-UHFFFAOYSA-N -1 3 389.868 3.568 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCOCC1 ZINC000820513192 606654162 /nfs/dbraw/zinc/65/41/62/606654162.db2.gz XBTFDDTWUPYQTA-AWEZNQCLSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820513192 606654163 /nfs/dbraw/zinc/65/41/63/606654163.db2.gz XBTFDDTWUPYQTA-AWEZNQCLSA-N -1 3 394.431 3.631 20 0 GHADHM COCc1nc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000821695989 606656538 /nfs/dbraw/zinc/65/65/38/606656538.db2.gz QPZSUHBJSWHAJX-UHFFFAOYSA-N -1 3 394.460 3.874 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000820384481 606661779 /nfs/dbraw/zinc/66/17/79/606661779.db2.gz GILLDOLLFJAJBG-LLVKDONJSA-N -1 3 379.370 3.789 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000820384481 606661780 /nfs/dbraw/zinc/66/17/80/606661780.db2.gz GILLDOLLFJAJBG-LLVKDONJSA-N -1 3 379.370 3.789 20 0 GHADHM Cc1sc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1-c1ccc(F)cc1 ZINC000822553862 606667131 /nfs/dbraw/zinc/66/71/31/606667131.db2.gz RZUJNTNHRYWBIL-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1sc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1-c1ccc(F)cc1 ZINC000822553862 606667132 /nfs/dbraw/zinc/66/71/32/606667132.db2.gz RZUJNTNHRYWBIL-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820571285 606669105 /nfs/dbraw/zinc/66/91/05/606669105.db2.gz XISDQNVGIXMJKN-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820571285 606669106 /nfs/dbraw/zinc/66/91/06/606669106.db2.gz XISDQNVGIXMJKN-VIFPVBQESA-N -1 3 377.782 3.632 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822941297 606674565 /nfs/dbraw/zinc/67/45/65/606674565.db2.gz TXMOPZNSTCZNHA-SFHVURJKSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822941297 606674566 /nfs/dbraw/zinc/67/45/66/606674566.db2.gz TXMOPZNSTCZNHA-SFHVURJKSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822940879 606677913 /nfs/dbraw/zinc/67/79/13/606677913.db2.gz IJYLHRZDKBIJGK-QGZVFWFLSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@H]1CCCCO1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822940879 606677914 /nfs/dbraw/zinc/67/79/14/606677914.db2.gz IJYLHRZDKBIJGK-QGZVFWFLSA-N -1 3 379.420 3.557 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1Cl ZINC000820385543 606680671 /nfs/dbraw/zinc/68/06/71/606680671.db2.gz UAWMQVJWJBCUSE-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1Cl ZINC000820385543 606680672 /nfs/dbraw/zinc/68/06/72/606680672.db2.gz UAWMQVJWJBCUSE-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820293253 606683812 /nfs/dbraw/zinc/68/38/12/606683812.db2.gz JQXJOCJWZNQMBS-QWHCGFSZSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820293253 606683813 /nfs/dbraw/zinc/68/38/13/606683813.db2.gz JQXJOCJWZNQMBS-QWHCGFSZSA-N -1 3 385.468 3.611 20 0 GHADHM COc1ccc(F)c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000821827929 606698072 /nfs/dbraw/zinc/69/80/72/606698072.db2.gz NKKFFNNHJUTUGZ-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM COc1ccc(F)c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000821827929 606698074 /nfs/dbraw/zinc/69/80/74/606698074.db2.gz NKKFFNNHJUTUGZ-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM Cc1cccc(C(C)C)c1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822289207 606706580 /nfs/dbraw/zinc/70/65/80/606706580.db2.gz URUBSODXILWDGF-UHFFFAOYSA-N -1 3 375.436 3.961 20 0 GHADHM Cc1cccc(C(C)C)c1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822289207 606706582 /nfs/dbraw/zinc/70/65/82/606706582.db2.gz URUBSODXILWDGF-UHFFFAOYSA-N -1 3 375.436 3.961 20 0 GHADHM C[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820508500 606759102 /nfs/dbraw/zinc/75/91/02/606759102.db2.gz QIRSIOYKBPJDCL-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM C[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820508500 606759104 /nfs/dbraw/zinc/75/91/04/606759104.db2.gz QIRSIOYKBPJDCL-SECBINFHSA-N -1 3 380.301 3.943 20 0 GHADHM COc1ccc(-c2cnc(COc3c(C)cc(-c4nn[n-]n4)cc3C)o2)cc1 ZINC000821731836 606769524 /nfs/dbraw/zinc/76/95/24/606769524.db2.gz HNPFDSIGLNZUSM-UHFFFAOYSA-N -1 3 377.404 3.726 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823356350 606771393 /nfs/dbraw/zinc/77/13/93/606771393.db2.gz KYNVBJUJQHUYGQ-DYVFJYSZSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823356350 606771394 /nfs/dbraw/zinc/77/13/94/606771394.db2.gz KYNVBJUJQHUYGQ-DYVFJYSZSA-N -1 3 376.420 3.675 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820184010 606771399 /nfs/dbraw/zinc/77/13/99/606771399.db2.gz RZOCGEGHBBNCRY-UHFFFAOYSA-N -1 3 386.456 3.828 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820184010 606771400 /nfs/dbraw/zinc/77/14/00/606771400.db2.gz RZOCGEGHBBNCRY-UHFFFAOYSA-N -1 3 386.456 3.828 20 0 GHADHM Cc1c(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cccc1C(F)(F)F ZINC000822105840 606772268 /nfs/dbraw/zinc/77/22/68/606772268.db2.gz XJQLRDOLIPMOGP-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1c(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cccc1C(F)(F)F ZINC000822105840 606772270 /nfs/dbraw/zinc/77/22/70/606772270.db2.gz XJQLRDOLIPMOGP-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCCSCC2)cc1 ZINC000822136948 606785855 /nfs/dbraw/zinc/78/58/55/606785855.db2.gz QLWLUGZJZCUERC-UHFFFAOYSA-N -1 3 395.488 3.547 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCCSCC2)cc1 ZINC000822136948 606785857 /nfs/dbraw/zinc/78/58/57/606785857.db2.gz QLWLUGZJZCUERC-UHFFFAOYSA-N -1 3 395.488 3.547 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820973221 606790384 /nfs/dbraw/zinc/79/03/84/606790384.db2.gz VDZLECDPVIAODA-CRAIPNDOSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820973221 606790386 /nfs/dbraw/zinc/79/03/86/606790386.db2.gz VDZLECDPVIAODA-CRAIPNDOSA-N -1 3 379.420 3.555 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2C2CC2)cc1 ZINC000822136706 606790984 /nfs/dbraw/zinc/79/09/84/606790984.db2.gz OOCMMDFGTJFTBM-LJQANCHMSA-N -1 3 389.459 3.982 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2C2CC2)cc1 ZINC000822136706 606790986 /nfs/dbraw/zinc/79/09/86/606790986.db2.gz OOCMMDFGTJFTBM-LJQANCHMSA-N -1 3 389.459 3.982 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821961661 606792903 /nfs/dbraw/zinc/79/29/03/606792903.db2.gz LXLTWPYCDNIQOF-CQSZACIVSA-N -1 3 397.504 3.839 20 0 GHADHM CSCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821961661 606792904 /nfs/dbraw/zinc/79/29/04/606792904.db2.gz LXLTWPYCDNIQOF-CQSZACIVSA-N -1 3 397.504 3.839 20 0 GHADHM Fc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000822771380 606798523 /nfs/dbraw/zinc/79/85/23/606798523.db2.gz GQFDBXSNOCEHHL-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000822771380 606798525 /nfs/dbraw/zinc/79/85/25/606798525.db2.gz GQFDBXSNOCEHHL-QGZVFWFLSA-N -1 3 378.411 3.874 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000821838376 606800830 /nfs/dbraw/zinc/80/08/30/606800830.db2.gz MDCAHUKSSIMRBD-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000821838376 606800832 /nfs/dbraw/zinc/80/08/32/606800832.db2.gz MDCAHUKSSIMRBD-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000820333644 606850785 /nfs/dbraw/zinc/85/07/85/606850785.db2.gz FOLCYIZNDZRDMR-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000820333644 606850787 /nfs/dbraw/zinc/85/07/87/606850787.db2.gz FOLCYIZNDZRDMR-SECBINFHSA-N -1 3 379.898 3.551 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc(Cc2ccccc2)no1 ZINC000822562552 606851438 /nfs/dbraw/zinc/85/14/38/606851438.db2.gz BEJGFHZKBXSZLW-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc(Cc2ccccc2)no1 ZINC000822562552 606851440 /nfs/dbraw/zinc/85/14/40/606851440.db2.gz BEJGFHZKBXSZLW-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N(C)C1CCCCC1 ZINC000820549823 606853063 /nfs/dbraw/zinc/85/30/63/606853063.db2.gz SAGDYJXPCPGIJL-LLVKDONJSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N(C)C1CCCCC1 ZINC000820549823 606853064 /nfs/dbraw/zinc/85/30/64/606853064.db2.gz SAGDYJXPCPGIJL-LLVKDONJSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N(C)C1CCCCC1 ZINC000820549825 606853104 /nfs/dbraw/zinc/85/31/04/606853104.db2.gz SAGDYJXPCPGIJL-NSHDSACASA-N -1 3 379.917 3.792 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N(C)C1CCCCC1 ZINC000820549825 606853105 /nfs/dbraw/zinc/85/31/05/606853105.db2.gz SAGDYJXPCPGIJL-NSHDSACASA-N -1 3 379.917 3.792 20 0 GHADHM CCC[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000821040708 606901722 /nfs/dbraw/zinc/90/17/22/606901722.db2.gz QAXJDENAGGEYQN-GFCCVEGCSA-N -1 3 386.525 3.513 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820097350 606929007 /nfs/dbraw/zinc/92/90/07/606929007.db2.gz NIRJYQZAYBQOQX-UHFFFAOYSA-N -1 3 384.415 3.822 20 0 GHADHM CC(C)COC(=O)Nc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820097350 606929009 /nfs/dbraw/zinc/92/90/09/606929009.db2.gz NIRJYQZAYBQOQX-UHFFFAOYSA-N -1 3 384.415 3.822 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822167362 606929275 /nfs/dbraw/zinc/92/92/75/606929275.db2.gz CWPWETYJQPTFSM-UHFFFAOYSA-N -1 3 394.454 3.599 20 0 GHADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822167362 606929276 /nfs/dbraw/zinc/92/92/76/606929276.db2.gz CWPWETYJQPTFSM-UHFFFAOYSA-N -1 3 394.454 3.599 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1C ZINC000822214090 606946879 /nfs/dbraw/zinc/94/68/79/606946879.db2.gz OYESFJJLUOYHLW-GJZGRUSLSA-N -1 3 389.463 3.945 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820051051 606955008 /nfs/dbraw/zinc/95/50/08/606955008.db2.gz JXKMCHNNRYPTQC-SFHVURJKSA-N -1 3 380.427 3.793 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820051051 606955011 /nfs/dbraw/zinc/95/50/11/606955011.db2.gz JXKMCHNNRYPTQC-SFHVURJKSA-N -1 3 380.427 3.793 20 0 GHADHM COc1cc2ccccc2cc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821727096 606961352 /nfs/dbraw/zinc/96/13/52/606961352.db2.gz BTQYFJIVYPOVKO-UHFFFAOYSA-N -1 3 393.834 3.959 20 0 GHADHM COc1cc2ccccc2cc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821727096 606961354 /nfs/dbraw/zinc/96/13/54/606961354.db2.gz BTQYFJIVYPOVKO-UHFFFAOYSA-N -1 3 393.834 3.959 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820937761 606962378 /nfs/dbraw/zinc/96/23/78/606962378.db2.gz CRPXFWKOPDYKTM-QGZVFWFLSA-N -1 3 385.855 3.649 20 0 GHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820937761 606962380 /nfs/dbraw/zinc/96/23/80/606962380.db2.gz CRPXFWKOPDYKTM-QGZVFWFLSA-N -1 3 385.855 3.649 20 0 GHADHM CN(C(=O)[C@H]1SCCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569238 606962530 /nfs/dbraw/zinc/96/25/30/606962530.db2.gz CLLIDSKOVWZXAZ-INIZCTEOSA-N -1 3 385.880 3.514 20 0 GHADHM CN(C(=O)[C@H]1SCCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569238 606962532 /nfs/dbraw/zinc/96/25/32/606962532.db2.gz CLLIDSKOVWZXAZ-INIZCTEOSA-N -1 3 385.880 3.514 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596797 606972763 /nfs/dbraw/zinc/97/27/63/606972763.db2.gz TYUZGJYYJHMDCD-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822596797 606972764 /nfs/dbraw/zinc/97/27/64/606972764.db2.gz TYUZGJYYJHMDCD-IBGZPJMESA-N -1 3 391.454 3.620 20 0 GHADHM Cc1nc2ccc(NC(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000822459840 606981254 /nfs/dbraw/zinc/98/12/54/606981254.db2.gz YMQNBJGPYGPIRB-UHFFFAOYSA-N -1 3 394.460 3.581 20 0 GHADHM Cc1nc2ccc(NC(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000822459840 606981255 /nfs/dbraw/zinc/98/12/55/606981255.db2.gz YMQNBJGPYGPIRB-UHFFFAOYSA-N -1 3 394.460 3.581 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823082871 606990975 /nfs/dbraw/zinc/99/09/75/606990975.db2.gz UWRWFITZGAHULZ-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823082871 606990977 /nfs/dbraw/zinc/99/09/77/606990977.db2.gz UWRWFITZGAHULZ-UHFFFAOYSA-N -1 3 381.194 3.599 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819898694 607010971 /nfs/dbraw/zinc/01/09/71/607010971.db2.gz IFNQZJIVAXNIIR-INIZCTEOSA-N -1 3 387.534 3.924 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819898694 607010973 /nfs/dbraw/zinc/01/09/73/607010973.db2.gz IFNQZJIVAXNIIR-INIZCTEOSA-N -1 3 387.534 3.924 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000821565157 607037494 /nfs/dbraw/zinc/03/74/94/607037494.db2.gz GOEUFOMQEUJZKD-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000821565157 607037495 /nfs/dbraw/zinc/03/74/95/607037495.db2.gz GOEUFOMQEUJZKD-UHFFFAOYSA-N -1 3 381.440 3.577 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821563792 607037503 /nfs/dbraw/zinc/03/75/03/607037503.db2.gz FWOCLPWOPXLHNU-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM CCn1c(Cc2ccccc2)nnc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821563792 607037504 /nfs/dbraw/zinc/03/75/04/607037504.db2.gz FWOCLPWOPXLHNU-UHFFFAOYSA-N -1 3 395.467 3.500 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000821293359 607100209 /nfs/dbraw/zinc/10/02/09/607100209.db2.gz KPTYXFOVQBOLQP-CYBMUJFWSA-N -1 3 382.443 3.645 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000821304277 607101936 /nfs/dbraw/zinc/10/19/36/607101936.db2.gz DLVUEIMIGXBLHA-UHFFFAOYSA-N -1 3 395.225 3.997 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CC12CCC2 ZINC000823368363 607119965 /nfs/dbraw/zinc/11/99/65/607119965.db2.gz VFAOIOFHYLJLDD-GOSISDBHSA-N -1 3 375.432 3.574 20 0 GHADHM O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CC12CCC2 ZINC000823368363 607119967 /nfs/dbraw/zinc/11/99/67/607119967.db2.gz VFAOIOFHYLJLDD-GOSISDBHSA-N -1 3 375.432 3.574 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000822748446 607128856 /nfs/dbraw/zinc/12/88/56/607128856.db2.gz YXGKXPPDTNYPFT-UHFFFAOYSA-N -1 3 376.273 3.760 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000822748446 607128857 /nfs/dbraw/zinc/12/88/57/607128857.db2.gz YXGKXPPDTNYPFT-UHFFFAOYSA-N -1 3 376.273 3.760 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nnn[n-]4)cc3F)n2)cc1F ZINC000822223648 607138589 /nfs/dbraw/zinc/13/85/89/607138589.db2.gz FWCFPCZTJVJYEG-JTQLQIEISA-N -1 3 384.346 3.643 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3F)n2)cc1F ZINC000822223648 607138590 /nfs/dbraw/zinc/13/85/90/607138590.db2.gz FWCFPCZTJVJYEG-JTQLQIEISA-N -1 3 384.346 3.643 20 0 GHADHM Cc1cc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)nn1C ZINC000822205657 607147182 /nfs/dbraw/zinc/14/71/82/607147182.db2.gz CTHCPGYRQPKFBB-UHFFFAOYSA-N -1 3 391.454 3.563 20 0 GHADHM Cc1cc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)nn1C ZINC000822205657 607147184 /nfs/dbraw/zinc/14/71/84/607147184.db2.gz CTHCPGYRQPKFBB-UHFFFAOYSA-N -1 3 391.454 3.563 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820836931 607153127 /nfs/dbraw/zinc/15/31/27/607153127.db2.gz FAVBACQOKQSHBQ-CQSZACIVSA-N -1 3 377.448 3.683 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820836931 607153129 /nfs/dbraw/zinc/15/31/29/607153129.db2.gz FAVBACQOKQSHBQ-CQSZACIVSA-N -1 3 377.448 3.683 20 0 GHADHM COc1ccccc1NC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821898761 607162491 /nfs/dbraw/zinc/16/24/91/607162491.db2.gz RNHMSKWIKBMOLX-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccccc1NC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821898761 607162494 /nfs/dbraw/zinc/16/24/94/607162494.db2.gz RNHMSKWIKBMOLX-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM c1cc2c3c(ccc(NCc4nnc(-c5cccc(-c6nnn[n-]6)c5)o4)c3c1)CC2 ZINC000823738234 607166526 /nfs/dbraw/zinc/16/65/26/607166526.db2.gz RJFMKSDLYWBFOI-UHFFFAOYSA-N -1 3 395.426 3.781 20 0 GHADHM c1cc2c3c(ccc(NCc4nnc(-c5cccc(-c6nn[n-]n6)c5)o4)c3c1)CC2 ZINC000823738234 607166527 /nfs/dbraw/zinc/16/65/27/607166527.db2.gz RJFMKSDLYWBFOI-UHFFFAOYSA-N -1 3 395.426 3.781 20 0 GHADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821854879 607173709 /nfs/dbraw/zinc/17/37/09/607173709.db2.gz ZFYFOOZAQMLINU-OAHLLOKOSA-N -1 3 391.353 3.830 20 0 GHADHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821854879 607173710 /nfs/dbraw/zinc/17/37/10/607173710.db2.gz ZFYFOOZAQMLINU-OAHLLOKOSA-N -1 3 391.353 3.830 20 0 GHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823123044 607189507 /nfs/dbraw/zinc/18/95/07/607189507.db2.gz LQKJMTGJHFEBER-UHFFFAOYSA-N -1 3 387.230 3.767 20 0 GHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823123044 607189508 /nfs/dbraw/zinc/18/95/08/607189508.db2.gz LQKJMTGJHFEBER-UHFFFAOYSA-N -1 3 387.230 3.767 20 0 GHADHM O=C(Cc1ccc(Br)s1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082779 607190422 /nfs/dbraw/zinc/19/04/22/607190422.db2.gz PHTJBVGQKDDITF-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(Cc1ccc(Br)s1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082779 607190423 /nfs/dbraw/zinc/19/04/23/607190423.db2.gz PHTJBVGQKDDITF-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c2c1 ZINC000821854744 607190734 /nfs/dbraw/zinc/19/07/34/607190734.db2.gz UDGLUQZBGGWSMJ-UHFFFAOYSA-N -1 3 383.795 3.836 20 0 GHADHM COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c2c1 ZINC000821854744 607190735 /nfs/dbraw/zinc/19/07/35/607190735.db2.gz UDGLUQZBGGWSMJ-UHFFFAOYSA-N -1 3 383.795 3.836 20 0 GHADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821221998 607196461 /nfs/dbraw/zinc/19/64/61/607196461.db2.gz NCUDZOLHEQCXSK-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821221998 607196462 /nfs/dbraw/zinc/19/64/62/607196462.db2.gz NCUDZOLHEQCXSK-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCc2c(Cl)cccc2C1 ZINC000823318986 607197911 /nfs/dbraw/zinc/19/79/11/607197911.db2.gz OBRAEQFRDZCBSI-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2c(Cl)cccc2C1 ZINC000823318986 607197912 /nfs/dbraw/zinc/19/79/12/607197912.db2.gz OBRAEQFRDZCBSI-UHFFFAOYSA-N -1 3 389.246 3.764 20 0 GHADHM O=C(NCCc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823219251 607200300 /nfs/dbraw/zinc/20/03/00/607200300.db2.gz IJXXXUDXFTTYDZ-UHFFFAOYSA-N -1 3 383.264 3.599 20 0 GHADHM O=C(NCCc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823219251 607200301 /nfs/dbraw/zinc/20/03/01/607200301.db2.gz IJXXXUDXFTTYDZ-UHFFFAOYSA-N -1 3 383.264 3.599 20 0 GHADHM COc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c(C)c2c1 ZINC000821854812 607241521 /nfs/dbraw/zinc/24/15/21/607241521.db2.gz WKKHUIDBUFWLCO-UHFFFAOYSA-N -1 3 383.795 3.836 20 0 GHADHM COc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c(C)c2c1 ZINC000821854812 607241522 /nfs/dbraw/zinc/24/15/22/607241522.db2.gz WKKHUIDBUFWLCO-UHFFFAOYSA-N -1 3 383.795 3.836 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)c[nH]c21 ZINC000822332304 607241576 /nfs/dbraw/zinc/24/15/76/607241576.db2.gz NTBOQNFMAOZWAJ-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM Cc1cccc2c(CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)c[nH]c21 ZINC000822332304 607241577 /nfs/dbraw/zinc/24/15/77/607241577.db2.gz NTBOQNFMAOZWAJ-UHFFFAOYSA-N -1 3 380.839 3.881 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)c(F)c1 ZINC000823319331 607242808 /nfs/dbraw/zinc/24/28/08/607242808.db2.gz SHFLOZLVCTUIIQ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)c(F)c1 ZINC000823319331 607242809 /nfs/dbraw/zinc/24/28/09/607242809.db2.gz SHFLOZLVCTUIIQ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826282669 607786800 /nfs/dbraw/zinc/78/68/00/607786800.db2.gz ADQIVYXJEVDRPK-UHFFFAOYSA-N -1 3 383.427 3.845 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826282669 607786801 /nfs/dbraw/zinc/78/68/01/607786801.db2.gz ADQIVYXJEVDRPK-UHFFFAOYSA-N -1 3 383.427 3.845 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000824738505 607787076 /nfs/dbraw/zinc/78/70/76/607787076.db2.gz PNXNCRJPGIASRD-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000824738505 607787077 /nfs/dbraw/zinc/78/70/77/607787077.db2.gz PNXNCRJPGIASRD-AWEZNQCLSA-N -1 3 379.464 3.595 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825812657 607789921 /nfs/dbraw/zinc/78/99/21/607789921.db2.gz QGTUDNNERYREND-ZIAGYGMSSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825812657 607789922 /nfs/dbraw/zinc/78/99/22/607789922.db2.gz QGTUDNNERYREND-ZIAGYGMSSA-N -1 3 388.258 3.940 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826422665 607791561 /nfs/dbraw/zinc/79/15/61/607791561.db2.gz HORNORRWSVODGE-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000826422665 607791562 /nfs/dbraw/zinc/79/15/62/607791562.db2.gz HORNORRWSVODGE-UHFFFAOYSA-N -1 3 388.258 3.695 20 0 GHADHM CCN(C(=O)c1ccc(Br)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825381109 607799209 /nfs/dbraw/zinc/79/92/09/607799209.db2.gz ZPWNPMANYBVJAY-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)c1ccc(Br)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825381109 607799210 /nfs/dbraw/zinc/79/92/10/607799210.db2.gz ZPWNPMANYBVJAY-UHFFFAOYSA-N -1 3 386.253 3.604 20 0 GHADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367929 607816707 /nfs/dbraw/zinc/81/67/07/607816707.db2.gz XUAWAKUCUYXXGY-GXTWGEPZSA-N -1 3 382.468 3.575 20 0 GHADHM CCN(C(=O)C[C@H](C)c1c(C)noc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367929 607816708 /nfs/dbraw/zinc/81/67/08/607816708.db2.gz XUAWAKUCUYXXGY-GXTWGEPZSA-N -1 3 382.468 3.575 20 0 GHADHM CC(C)(CCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824152998 607822317 /nfs/dbraw/zinc/82/23/17/607822317.db2.gz XCODUECAZNHJQG-UHFFFAOYSA-N -1 3 375.476 3.730 20 0 GHADHM CC(C)(CCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824152998 607822318 /nfs/dbraw/zinc/82/23/18/607822318.db2.gz XCODUECAZNHJQG-UHFFFAOYSA-N -1 3 375.476 3.730 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826338132 607826462 /nfs/dbraw/zinc/82/64/62/607826462.db2.gz LRMYMUWQBOUCCU-VIFPVBQESA-N -1 3 386.481 3.544 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826338132 607826463 /nfs/dbraw/zinc/82/64/63/607826463.db2.gz LRMYMUWQBOUCCU-VIFPVBQESA-N -1 3 386.481 3.544 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824119878 607826751 /nfs/dbraw/zinc/82/67/51/607826751.db2.gz RUWGYUVGDDWWNP-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM CC(C)(C)O[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000824119878 607826752 /nfs/dbraw/zinc/82/67/52/607826752.db2.gz RUWGYUVGDDWWNP-KRWDZBQOSA-N -1 3 384.411 3.605 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826214070 607830697 /nfs/dbraw/zinc/83/06/97/607830697.db2.gz YYIYSDFRINRANP-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc2cccc(CC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826214070 607830698 /nfs/dbraw/zinc/83/06/98/607830698.db2.gz YYIYSDFRINRANP-AWEZNQCLSA-N -1 3 388.427 3.875 20 0 GHADHM COc1ccc(CCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826191821 607830731 /nfs/dbraw/zinc/83/07/31/607830731.db2.gz RAOWXRPUSGRDHI-AWEZNQCLSA-N -1 3 396.447 3.511 20 0 GHADHM COc1ccc(CCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826191821 607830732 /nfs/dbraw/zinc/83/07/32/607830732.db2.gz RAOWXRPUSGRDHI-AWEZNQCLSA-N -1 3 396.447 3.511 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1CCC(C)CC1 ZINC000824915342 607844537 /nfs/dbraw/zinc/84/45/37/607844537.db2.gz DDZUVGUUEVDXTJ-AKJDGMEZSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1CCC(C)CC1 ZINC000824915342 607844538 /nfs/dbraw/zinc/84/45/38/607844538.db2.gz DDZUVGUUEVDXTJ-AKJDGMEZSA-N -1 3 379.917 3.696 20 0 GHADHM CN(CN1c2cccc3cccc(c23)C1=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825950030 607848000 /nfs/dbraw/zinc/84/80/00/607848000.db2.gz HVLOKUURQZNBPE-UHFFFAOYSA-N -1 3 390.834 3.727 20 0 GHADHM CN(CN1c2cccc3cccc(c23)C1=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825950030 607848001 /nfs/dbraw/zinc/84/80/01/607848001.db2.gz HVLOKUURQZNBPE-UHFFFAOYSA-N -1 3 390.834 3.727 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000826465748 607857358 /nfs/dbraw/zinc/85/73/58/607857358.db2.gz ARGWBEJICWLOHT-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000826465748 607857359 /nfs/dbraw/zinc/85/73/59/607857359.db2.gz ARGWBEJICWLOHT-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000165749786 607861045 /nfs/dbraw/zinc/86/10/45/607861045.db2.gz XHJNPYKHSSXMIR-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccn2)ccc1Cl ZINC000165749786 607861046 /nfs/dbraw/zinc/86/10/46/607861046.db2.gz XHJNPYKHSSXMIR-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371167 607878694 /nfs/dbraw/zinc/87/86/94/607878694.db2.gz CWIVDXDVEWEOPL-UHFFFAOYSA-N -1 3 394.866 3.987 20 0 GHADHM CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371167 607878695 /nfs/dbraw/zinc/87/86/95/607878695.db2.gz CWIVDXDVEWEOPL-UHFFFAOYSA-N -1 3 394.866 3.987 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCOCC1 ZINC000824045893 607893625 /nfs/dbraw/zinc/89/36/25/607893625.db2.gz OTTKNRSIXPNEQE-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000824045893 607893626 /nfs/dbraw/zinc/89/36/26/607893626.db2.gz OTTKNRSIXPNEQE-CQSZACIVSA-N -1 3 393.447 3.660 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000824507773 607917308 /nfs/dbraw/zinc/91/73/08/607917308.db2.gz YFOMCZFZBFXGEY-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000824507773 607917309 /nfs/dbraw/zinc/91/73/09/607917309.db2.gz YFOMCZFZBFXGEY-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM CC1=CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000824852710 607918131 /nfs/dbraw/zinc/91/81/31/607918131.db2.gz QKXSRRPWOBPVAK-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CC1=CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000824852710 607918132 /nfs/dbraw/zinc/91/81/32/607918132.db2.gz QKXSRRPWOBPVAK-UHFFFAOYSA-N -1 3 376.420 3.843 20 0 GHADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC000825833564 607919108 /nfs/dbraw/zinc/91/91/08/607919108.db2.gz IGFIGNQTICOUAD-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM CN(C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC000825833564 607919109 /nfs/dbraw/zinc/91/91/09/607919109.db2.gz IGFIGNQTICOUAD-ZDUSSCGKSA-N -1 3 397.529 3.595 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337419 607965950 /nfs/dbraw/zinc/96/59/50/607965950.db2.gz NQYNCGXTBPDUHU-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1[C@H]1CCC[C@H](C)C1 ZINC000826337419 607965951 /nfs/dbraw/zinc/96/59/51/607965951.db2.gz NQYNCGXTBPDUHU-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362289 607978309 /nfs/dbraw/zinc/97/83/09/607978309.db2.gz MASYWNZVHGJQFF-CVEARBPZSA-N -1 3 393.491 3.664 20 0 GHADHM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362289 607978310 /nfs/dbraw/zinc/97/83/10/607978310.db2.gz MASYWNZVHGJQFF-CVEARBPZSA-N -1 3 393.491 3.664 20 0 GHADHM COc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)ccc1Cl ZINC000826176885 607980549 /nfs/dbraw/zinc/98/05/49/607980549.db2.gz IRFVGGPZHJAWSQ-UHFFFAOYSA-N -1 3 399.882 3.827 20 0 GHADHM COc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)ccc1Cl ZINC000826176885 607980550 /nfs/dbraw/zinc/98/05/50/607980550.db2.gz IRFVGGPZHJAWSQ-UHFFFAOYSA-N -1 3 399.882 3.827 20 0 GHADHM Cc1cc([C@H](NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262019 607996416 /nfs/dbraw/zinc/99/64/16/607996416.db2.gz BRMHWCAFFHCZBS-LJQANCHMSA-N -1 3 394.454 3.607 20 0 GHADHM Cc1cc([C@H](NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262019 607996417 /nfs/dbraw/zinc/99/64/17/607996417.db2.gz BRMHWCAFFHCZBS-LJQANCHMSA-N -1 3 394.454 3.607 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000826452527 608006453 /nfs/dbraw/zinc/00/64/53/608006453.db2.gz WUJZOOHBKHMBHR-UHFFFAOYSA-N -1 3 393.838 3.592 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000826452527 608006454 /nfs/dbraw/zinc/00/64/54/608006454.db2.gz WUJZOOHBKHMBHR-UHFFFAOYSA-N -1 3 393.838 3.592 20 0 GHADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1nc(-c2ccccc2)no1 ZINC000824428237 608016943 /nfs/dbraw/zinc/01/69/43/608016943.db2.gz QYPHOSMVHMSOSF-ZDUSSCGKSA-N -1 3 398.430 3.681 20 0 GHADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1nc(-c2ccccc2)no1 ZINC000824428237 608016944 /nfs/dbraw/zinc/01/69/44/608016944.db2.gz QYPHOSMVHMSOSF-ZDUSSCGKSA-N -1 3 398.430 3.681 20 0 GHADHM CCCN(Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825322971 608032081 /nfs/dbraw/zinc/03/20/81/608032081.db2.gz MOANNVRSBXXOHX-UHFFFAOYSA-N -1 3 393.451 3.539 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1N1CCC(OC2CCCC2)CC1 ZINC000823826633 608048373 /nfs/dbraw/zinc/04/83/73/608048373.db2.gz LVDOVRASLVTFEY-UHFFFAOYSA-N -1 3 392.301 3.557 20 0 GHADHM Cc1cc2c(ncnc2SCCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826272934 608055760 /nfs/dbraw/zinc/05/57/60/608055760.db2.gz HSBYHOIVZYNHAT-UHFFFAOYSA-N -1 3 384.490 3.741 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824954022 608057288 /nfs/dbraw/zinc/05/72/88/608057288.db2.gz IXFJTVOJNUPXBG-GFCCVEGCSA-N -1 3 383.839 3.794 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824954022 608057289 /nfs/dbraw/zinc/05/72/89/608057289.db2.gz IXFJTVOJNUPXBG-GFCCVEGCSA-N -1 3 383.839 3.794 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc2ccccc2cc1OC(F)F ZINC000826461380 608059265 /nfs/dbraw/zinc/05/92/65/608059265.db2.gz RPOFKDLYFHHIRG-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc2ccccc2cc1OC(F)F ZINC000826461380 608059266 /nfs/dbraw/zinc/05/92/66/608059266.db2.gz RPOFKDLYFHHIRG-UHFFFAOYSA-N -1 3 387.371 3.935 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236602 608074062 /nfs/dbraw/zinc/07/40/62/608074062.db2.gz TVVOZFGSMUIWCB-UHFFFAOYSA-N -1 3 392.797 3.771 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236602 608074063 /nfs/dbraw/zinc/07/40/63/608074063.db2.gz TVVOZFGSMUIWCB-UHFFFAOYSA-N -1 3 392.797 3.771 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236627 608074096 /nfs/dbraw/zinc/07/40/96/608074096.db2.gz VIFYGFXGUMHCSJ-VIFPVBQESA-N -1 3 392.797 3.989 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236627 608074097 /nfs/dbraw/zinc/07/40/97/608074097.db2.gz VIFYGFXGUMHCSJ-VIFPVBQESA-N -1 3 392.797 3.989 20 0 GHADHM O=C(OCCCC(F)(F)F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826462726 608075991 /nfs/dbraw/zinc/07/59/91/608075991.db2.gz GVPBNRPLHLEYET-UHFFFAOYSA-N -1 3 396.325 3.538 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000824324813 608114186 /nfs/dbraw/zinc/11/41/86/608114186.db2.gz WGZWMZQESQLOLC-LLVKDONJSA-N -1 3 387.390 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H](C)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000824324813 608114187 /nfs/dbraw/zinc/11/41/87/608114187.db2.gz WGZWMZQESQLOLC-LLVKDONJSA-N -1 3 387.390 3.674 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824520962 608115281 /nfs/dbraw/zinc/11/52/81/608115281.db2.gz GSYXOXWYRICWNR-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM C[C@H](NC(=O)c1ccccc1NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824520962 608115282 /nfs/dbraw/zinc/11/52/82/608115282.db2.gz GSYXOXWYRICWNR-INIZCTEOSA-N -1 3 398.470 3.970 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826455194 608119128 /nfs/dbraw/zinc/11/91/28/608119128.db2.gz DDGWORVIBOPNOL-OAHLLOKOSA-N -1 3 390.447 3.923 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000826455194 608119129 /nfs/dbraw/zinc/11/91/29/608119129.db2.gz DDGWORVIBOPNOL-OAHLLOKOSA-N -1 3 390.447 3.923 20 0 GHADHM Clc1cc(NCc2nccn2CCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826350562 608123825 /nfs/dbraw/zinc/12/38/25/608123825.db2.gz BQNQXDMRKJPTEV-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM Clc1cc(NCc2nccn2CCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826350562 608123826 /nfs/dbraw/zinc/12/38/26/608123826.db2.gz BQNQXDMRKJPTEV-UHFFFAOYSA-N -1 3 393.882 3.962 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824078897 608131020 /nfs/dbraw/zinc/13/10/20/608131020.db2.gz LFZHIXBWYFIIJA-INIZCTEOSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)(C)[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824078897 608131021 /nfs/dbraw/zinc/13/10/21/608131021.db2.gz LFZHIXBWYFIIJA-INIZCTEOSA-N -1 3 395.463 3.547 20 0 GHADHM CCN(C(=O)c1ncccc1C(F)(F)F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391424 608150084 /nfs/dbraw/zinc/15/00/84/608150084.db2.gz ZIQJRMYRGSQHRG-LLVKDONJSA-N -1 3 390.369 3.504 20 0 GHADHM CCN(C(=O)c1ncccc1C(F)(F)F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391424 608150085 /nfs/dbraw/zinc/15/00/85/608150085.db2.gz ZIQJRMYRGSQHRG-LLVKDONJSA-N -1 3 390.369 3.504 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)no1 ZINC000824342311 608153732 /nfs/dbraw/zinc/15/37/32/608153732.db2.gz PKWOVYZEXCNWOS-UHFFFAOYSA-N -1 3 386.481 3.951 20 0 GHADHM CC(C)c1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)no1 ZINC000824342311 608153734 /nfs/dbraw/zinc/15/37/34/608153734.db2.gz PKWOVYZEXCNWOS-UHFFFAOYSA-N -1 3 386.481 3.951 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000825688379 608156186 /nfs/dbraw/zinc/15/61/86/608156186.db2.gz XCLKHQKFGGXFFE-MRVPVSSYSA-N -1 3 377.420 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000825688379 608156187 /nfs/dbraw/zinc/15/61/87/608156187.db2.gz XCLKHQKFGGXFFE-MRVPVSSYSA-N -1 3 377.420 3.819 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000824255738 608164107 /nfs/dbraw/zinc/16/41/07/608164107.db2.gz VQYXHJYRMXDIAO-GOSISDBHSA-N -1 3 382.512 3.757 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000824255738 608164109 /nfs/dbraw/zinc/16/41/09/608164109.db2.gz VQYXHJYRMXDIAO-GOSISDBHSA-N -1 3 382.512 3.757 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825643055 608182291 /nfs/dbraw/zinc/18/22/91/608182291.db2.gz HAOMTJJLEWGCQO-AWEZNQCLSA-N -1 3 396.447 3.727 20 0 GHADHM CCOc1ccc(OC(C)(C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825643055 608182293 /nfs/dbraw/zinc/18/22/93/608182293.db2.gz HAOMTJJLEWGCQO-AWEZNQCLSA-N -1 3 396.447 3.727 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000824929768 608205611 /nfs/dbraw/zinc/20/56/11/608205611.db2.gz YQHKXAWZHPYZKE-NTZNESFSSA-N -1 3 379.917 3.553 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000824929768 608205613 /nfs/dbraw/zinc/20/56/13/608205613.db2.gz YQHKXAWZHPYZKE-NTZNESFSSA-N -1 3 379.917 3.553 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC12CCC2 ZINC000824948680 608207060 /nfs/dbraw/zinc/20/70/60/608207060.db2.gz UUAMYTRDWGBIRY-LLVKDONJSA-N -1 3 394.401 3.930 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC12CCC2 ZINC000824948680 608207061 /nfs/dbraw/zinc/20/70/61/608207061.db2.gz UUAMYTRDWGBIRY-LLVKDONJSA-N -1 3 394.401 3.930 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Oc2ccccc2)nn1 ZINC000826350915 608231172 /nfs/dbraw/zinc/23/11/72/608231172.db2.gz QDMXHLBQILPUPY-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Oc2ccccc2)nn1 ZINC000826350915 608231174 /nfs/dbraw/zinc/23/11/74/608231174.db2.gz QDMXHLBQILPUPY-UHFFFAOYSA-N -1 3 380.795 3.681 20 0 GHADHM Cc1nc(-c2cc3c(s2)CCN(c2ccc(-c4nn[n-]n4)cc2)C3)cs1 ZINC000826322613 608237137 /nfs/dbraw/zinc/23/71/37/608237137.db2.gz UKONELYSTOLIMO-UHFFFAOYSA-N -1 3 380.502 3.923 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824119504 608250682 /nfs/dbraw/zinc/25/06/82/608250682.db2.gz JYMRQWPTOKSQNZ-FLIBITNWSA-N -1 3 381.411 3.835 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824119504 608250683 /nfs/dbraw/zinc/25/06/83/608250683.db2.gz JYMRQWPTOKSQNZ-FLIBITNWSA-N -1 3 381.411 3.835 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000567400000 608255558 /nfs/dbraw/zinc/25/55/58/608255558.db2.gz DNKOCSFXJXEIQP-UHFFFAOYSA-N -1 3 399.454 3.862 20 0 GHADHM CCOc1ccccc1-c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000567400000 608255559 /nfs/dbraw/zinc/25/55/59/608255559.db2.gz DNKOCSFXJXEIQP-UHFFFAOYSA-N -1 3 399.454 3.862 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826401091 608265142 /nfs/dbraw/zinc/26/51/42/608265142.db2.gz PFYFKJJPBRTSNZ-FNORWQNLSA-N -1 3 376.445 3.550 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826401091 608265143 /nfs/dbraw/zinc/26/51/43/608265143.db2.gz PFYFKJJPBRTSNZ-FNORWQNLSA-N -1 3 376.445 3.550 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC[C@@H]1C ZINC000824945775 608269298 /nfs/dbraw/zinc/26/92/98/608269298.db2.gz FMGAHSDXPBJUMV-KBPBESRZSA-N -1 3 393.451 3.564 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC[C@@H]1C ZINC000824945775 608269300 /nfs/dbraw/zinc/26/93/00/608269300.db2.gz FMGAHSDXPBJUMV-KBPBESRZSA-N -1 3 393.451 3.564 20 0 GHADHM CCN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367969 608274081 /nfs/dbraw/zinc/27/40/81/608274081.db2.gz YPLVBDBIFJLTQE-SCLBCKFNSA-N -1 3 399.882 3.553 20 0 GHADHM CCN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367969 608274082 /nfs/dbraw/zinc/27/40/82/608274082.db2.gz YPLVBDBIFJLTQE-SCLBCKFNSA-N -1 3 399.882 3.553 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc([C@H]3CCCOC3)c2)s1 ZINC000825693750 608275310 /nfs/dbraw/zinc/27/53/10/608275310.db2.gz CWMCOLOAOVEFCP-AWEZNQCLSA-N -1 3 383.477 3.637 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc([C@H]3CCCOC3)c2)s1 ZINC000825693750 608275312 /nfs/dbraw/zinc/27/53/12/608275312.db2.gz CWMCOLOAOVEFCP-AWEZNQCLSA-N -1 3 383.477 3.637 20 0 GHADHM CS[C@@H](C)CCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000826226268 608293357 /nfs/dbraw/zinc/29/33/57/608293357.db2.gz WFHWBAFMJZMGOK-ZDUSSCGKSA-N -1 3 398.492 3.833 20 0 GHADHM C[C@H](SCc1nnc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757430 608299056 /nfs/dbraw/zinc/29/90/56/608299056.db2.gz WMYBXUHOPYZJDK-ZDUSSCGKSA-N -1 3 377.477 3.657 20 0 GHADHM C[C@H](SCc1nnc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757430 608299057 /nfs/dbraw/zinc/29/90/57/608299057.db2.gz WMYBXUHOPYZJDK-ZDUSSCGKSA-N -1 3 377.477 3.657 20 0 GHADHM COc1c(C)cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826166886 608300772 /nfs/dbraw/zinc/30/07/72/608300772.db2.gz GHSTZBKMNXVREG-UHFFFAOYSA-N -1 3 379.464 3.795 20 0 GHADHM COc1c(C)cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826166886 608300773 /nfs/dbraw/zinc/30/07/73/608300773.db2.gz GHSTZBKMNXVREG-UHFFFAOYSA-N -1 3 379.464 3.795 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000824521277 608314474 /nfs/dbraw/zinc/31/44/74/608314474.db2.gz JLNRPJRRASDCKC-UWVGGRQHSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000824521277 608314475 /nfs/dbraw/zinc/31/44/75/608314475.db2.gz JLNRPJRRASDCKC-UWVGGRQHSA-N -1 3 395.410 3.869 20 0 GHADHM CCCc1ncc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825353323 608342913 /nfs/dbraw/zinc/34/29/13/608342913.db2.gz VHURFGZSOWOZFO-UHFFFAOYSA-N -1 3 376.873 3.596 20 0 GHADHM CCCc1ncc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825353323 608342914 /nfs/dbraw/zinc/34/29/14/608342914.db2.gz VHURFGZSOWOZFO-UHFFFAOYSA-N -1 3 376.873 3.596 20 0 GHADHM CCN(C(=O)c1cc2cccc(OC)c2o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381100 608345590 /nfs/dbraw/zinc/34/55/90/608345590.db2.gz ZLVCIJFPGVRQGT-UHFFFAOYSA-N -1 3 397.822 3.942 20 0 GHADHM CCN(C(=O)c1cc2cccc(OC)c2o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825381100 608345592 /nfs/dbraw/zinc/34/55/92/608345592.db2.gz ZLVCIJFPGVRQGT-UHFFFAOYSA-N -1 3 397.822 3.942 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000826523090 608375008 /nfs/dbraw/zinc/37/50/08/608375008.db2.gz AGGGUCFEOMUBHO-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1[nH]c2ncccc2c1C1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000826523090 608375010 /nfs/dbraw/zinc/37/50/10/608375010.db2.gz AGGGUCFEOMUBHO-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM Fc1c(CSCc2ccc(OCC(F)(F)F)nc2)cccc1-c1nnn[n-]1 ZINC000826370612 608404906 /nfs/dbraw/zinc/40/49/06/608404906.db2.gz AOBHMKDYHLMUHU-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Fc1c(CSCc2ccc(OCC(F)(F)F)nc2)cccc1-c1nn[n-]n1 ZINC000826370612 608404908 /nfs/dbraw/zinc/40/49/08/608404908.db2.gz AOBHMKDYHLMUHU-UHFFFAOYSA-N -1 3 399.373 3.775 20 0 GHADHM Clc1ccc(C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccn2)cc1 ZINC000826352408 608444156 /nfs/dbraw/zinc/44/41/56/608444156.db2.gz ZORBDWUPKFDOSZ-KRWDZBQOSA-N -1 3 377.839 3.706 20 0 GHADHM Clc1ccc(C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccn2)cc1 ZINC000826352408 608444158 /nfs/dbraw/zinc/44/41/58/608444158.db2.gz ZORBDWUPKFDOSZ-KRWDZBQOSA-N -1 3 377.839 3.706 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000826304945 608446568 /nfs/dbraw/zinc/44/65/68/608446568.db2.gz FJEUEISHQOENEX-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cs1 ZINC000826304945 608446570 /nfs/dbraw/zinc/44/65/70/608446570.db2.gz FJEUEISHQOENEX-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826285856 608449906 /nfs/dbraw/zinc/44/99/06/608449906.db2.gz LTMGDHKBZYVAOY-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826285856 608449907 /nfs/dbraw/zinc/44/99/07/608449907.db2.gz LTMGDHKBZYVAOY-PKOBYXMFSA-N -1 3 396.422 3.525 20 0 GHADHM O=C(Nc1ccccc1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826457840 608469841 /nfs/dbraw/zinc/46/98/41/608469841.db2.gz SHAVIJLCQZIRKB-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM O=C(Nc1ccccc1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826457840 608469842 /nfs/dbraw/zinc/46/98/42/608469842.db2.gz SHAVIJLCQZIRKB-UHFFFAOYSA-N -1 3 380.839 3.841 20 0 GHADHM C[C@@H](NC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824522305 608475191 /nfs/dbraw/zinc/47/51/91/608475191.db2.gz QNNVOIJOBNIAAX-OAHLLOKOSA-N -1 3 390.516 3.592 20 0 GHADHM C[C@@H](NC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000824522305 608475192 /nfs/dbraw/zinc/47/51/92/608475192.db2.gz QNNVOIJOBNIAAX-OAHLLOKOSA-N -1 3 390.516 3.592 20 0 GHADHM CC(C)(C)SCCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824123930 608475404 /nfs/dbraw/zinc/47/54/04/608475404.db2.gz NHCLWQABKOHHDT-UHFFFAOYSA-N -1 3 380.539 3.565 20 0 GHADHM CC(C)(C)SCCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824123930 608475405 /nfs/dbraw/zinc/47/54/05/608475405.db2.gz NHCLWQABKOHHDT-UHFFFAOYSA-N -1 3 380.539 3.565 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823942293 608481050 /nfs/dbraw/zinc/48/10/50/608481050.db2.gz AQTMVQVODWUICZ-CCEZHUSRSA-N -1 3 389.434 3.725 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823942293 608481052 /nfs/dbraw/zinc/48/10/52/608481052.db2.gz AQTMVQVODWUICZ-CCEZHUSRSA-N -1 3 389.434 3.725 20 0 GHADHM O=C([C@@H]1CCCc2sccc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826399060 608482090 /nfs/dbraw/zinc/48/20/90/608482090.db2.gz LVKMXDUXFHBMFP-GOSISDBHSA-N -1 3 391.500 3.664 20 0 GHADHM O=C([C@@H]1CCCc2sccc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399060 608482091 /nfs/dbraw/zinc/48/20/91/608482091.db2.gz LVKMXDUXFHBMFP-GOSISDBHSA-N -1 3 391.500 3.664 20 0 GHADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824086449 608534634 /nfs/dbraw/zinc/53/46/34/608534634.db2.gz MCACLIXLVHNFHE-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824086449 608534635 /nfs/dbraw/zinc/53/46/35/608534635.db2.gz MCACLIXLVHNFHE-UHFFFAOYSA-N -1 3 376.480 3.610 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(c4cccnc4)CC3)c2c1 ZINC000826263483 608553490 /nfs/dbraw/zinc/55/34/90/608553490.db2.gz CZVIQRWCDGDSNH-UHFFFAOYSA-N -1 3 385.475 3.811 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(c4cccnc4)CC3)c2c1 ZINC000826263483 608553491 /nfs/dbraw/zinc/55/34/91/608553491.db2.gz CZVIQRWCDGDSNH-UHFFFAOYSA-N -1 3 385.475 3.811 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3cccc(-c4nnn[n-]4)c3)cn2)c1 ZINC000826369356 608569121 /nfs/dbraw/zinc/56/91/21/608569121.db2.gz ZAJRTDGYHNOPOO-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc(-n2cc(NCc3cccc(-c4nn[n-]n4)c3)cn2)c1 ZINC000826369356 608569123 /nfs/dbraw/zinc/56/91/23/608569123.db2.gz ZAJRTDGYHNOPOO-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCCc2cc(Cl)cc(F)c21 ZINC000826473130 608576159 /nfs/dbraw/zinc/57/61/59/608576159.db2.gz MCGBEDNODCYSNL-UHFFFAOYSA-N -1 3 392.221 3.906 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCCc2cc(Cl)cc(F)c21 ZINC000826473130 608576160 /nfs/dbraw/zinc/57/61/60/608576160.db2.gz MCGBEDNODCYSNL-UHFFFAOYSA-N -1 3 392.221 3.906 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825006220 608576975 /nfs/dbraw/zinc/57/69/75/608576975.db2.gz GOEAGUGTKOBMHF-VBHSOAQHSA-N -1 3 397.866 3.511 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825006220 608576976 /nfs/dbraw/zinc/57/69/76/608576976.db2.gz GOEAGUGTKOBMHF-VBHSOAQHSA-N -1 3 397.866 3.511 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000825620365 608582387 /nfs/dbraw/zinc/58/23/87/608582387.db2.gz AHULDZGGFJPELK-CQSZACIVSA-N -1 3 383.839 3.587 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000825620365 608582389 /nfs/dbraw/zinc/58/23/89/608582389.db2.gz AHULDZGGFJPELK-CQSZACIVSA-N -1 3 383.839 3.587 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)[C@H](C)CO2)c1 ZINC000826284804 608652093 /nfs/dbraw/zinc/65/20/93/608652093.db2.gz GTCMERPEPLXHRP-BEFAXECRSA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)[C@H](C)CO2)c1 ZINC000826284804 608652094 /nfs/dbraw/zinc/65/20/94/608652094.db2.gz GTCMERPEPLXHRP-BEFAXECRSA-N -1 3 381.455 3.585 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824207687 608755601 /nfs/dbraw/zinc/75/56/01/608755601.db2.gz ZKZFFJIJCGKGDI-SFHVURJKSA-N -1 3 399.882 3.582 20 0 GHADHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824207687 608755605 /nfs/dbraw/zinc/75/56/05/608755605.db2.gz ZKZFFJIJCGKGDI-SFHVURJKSA-N -1 3 399.882 3.582 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824207686 608755967 /nfs/dbraw/zinc/75/59/67/608755967.db2.gz ZKZFFJIJCGKGDI-GOSISDBHSA-N -1 3 399.882 3.582 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824207686 608755968 /nfs/dbraw/zinc/75/59/68/608755968.db2.gz ZKZFFJIJCGKGDI-GOSISDBHSA-N -1 3 399.882 3.582 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826185674 609156880 /nfs/dbraw/zinc/15/68/80/609156880.db2.gz QRMDEFBTXIOWMH-CCCPALQASA-N -1 3 390.447 3.585 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826185674 609156883 /nfs/dbraw/zinc/15/68/83/609156883.db2.gz QRMDEFBTXIOWMH-CCCPALQASA-N -1 3 390.447 3.585 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826263248 609168662 /nfs/dbraw/zinc/16/86/62/609168662.db2.gz RFWYCGLKHIFPAX-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM Cc1cc(C)c(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)o1 ZINC000826263248 609168663 /nfs/dbraw/zinc/16/86/63/609168663.db2.gz RFWYCGLKHIFPAX-UHFFFAOYSA-N -1 3 376.420 3.736 20 0 GHADHM COc1nc(C)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000826221405 609173798 /nfs/dbraw/zinc/17/37/98/609173798.db2.gz DDCFHEUKKLRBLU-UHFFFAOYSA-N -1 3 398.492 3.552 20 0 GHADHM COc1nc(C)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000826221405 609173799 /nfs/dbraw/zinc/17/37/99/609173799.db2.gz DDCFHEUKKLRBLU-UHFFFAOYSA-N -1 3 398.492 3.552 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992672 609180159 /nfs/dbraw/zinc/18/01/59/609180159.db2.gz NMTUMGLFEWDPGW-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992672 609180161 /nfs/dbraw/zinc/18/01/61/609180161.db2.gz NMTUMGLFEWDPGW-RBSFLKMASA-N -1 3 396.470 3.793 20 0 GHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000826291893 609182273 /nfs/dbraw/zinc/18/22/73/609182273.db2.gz ZZDZWLWAVXVMTP-QAPCUYQASA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000826291893 609182274 /nfs/dbraw/zinc/18/22/74/609182274.db2.gz ZZDZWLWAVXVMTP-QAPCUYQASA-N -1 3 379.464 3.906 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)nn1-c1cccc(Cl)c1 ZINC000826242497 609237430 /nfs/dbraw/zinc/23/74/30/609237430.db2.gz ROQMQMVETGGLAJ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)nn1-c1cccc(Cl)c1 ZINC000826242497 609237432 /nfs/dbraw/zinc/23/74/32/609237432.db2.gz ROQMQMVETGGLAJ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCc1cc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)no1 ZINC000825700618 609265727 /nfs/dbraw/zinc/26/57/27/609265727.db2.gz MRPRFPHSVUCSIW-UHFFFAOYSA-N -1 3 376.420 3.608 20 0 GHADHM CCc1cc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)no1 ZINC000825700618 609265730 /nfs/dbraw/zinc/26/57/30/609265730.db2.gz MRPRFPHSVUCSIW-UHFFFAOYSA-N -1 3 376.420 3.608 20 0 GHADHM CC(C)(c1nnc(NCc2ccc(-c3nnn[n-]3)s2)s1)c1ccccc1 ZINC000824178427 609266004 /nfs/dbraw/zinc/26/60/04/609266004.db2.gz RUKZPYBLLVBXDT-UHFFFAOYSA-N -1 3 383.506 3.718 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000824649923 609277355 /nfs/dbraw/zinc/27/73/55/609277355.db2.gz OIIXZJLIINUDEH-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824649923 609277357 /nfs/dbraw/zinc/27/73/57/609277357.db2.gz OIIXZJLIINUDEH-GUYCJALGSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1N1CCSCC1 ZINC000826270834 609277657 /nfs/dbraw/zinc/27/76/57/609277657.db2.gz QQCVDAGDVFTUGG-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1N1CCSCC1 ZINC000826270834 609277659 /nfs/dbraw/zinc/27/76/59/609277659.db2.gz QQCVDAGDVFTUGG-HNNXBMFYSA-N -1 3 380.521 3.901 20 0 GHADHM Fc1cccc(Cl)c1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826377277 609279107 /nfs/dbraw/zinc/27/91/07/609279107.db2.gz LIEQFDBIEYFMLW-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Clc1cnc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(Cl)c1 ZINC000826354054 609281901 /nfs/dbraw/zinc/28/19/01/609281901.db2.gz OCKFKOFOMCJAMU-UHFFFAOYSA-N -1 3 387.274 3.858 20 0 GHADHM Clc1cnc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000826354054 609281903 /nfs/dbraw/zinc/28/19/03/609281903.db2.gz OCKFKOFOMCJAMU-UHFFFAOYSA-N -1 3 387.274 3.858 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824811726 609297855 /nfs/dbraw/zinc/29/78/55/609297855.db2.gz ANXVDPNFJMZURE-KRWDZBQOSA-N -1 3 397.866 3.512 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824811726 609297857 /nfs/dbraw/zinc/29/78/57/609297857.db2.gz ANXVDPNFJMZURE-KRWDZBQOSA-N -1 3 397.866 3.512 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825074623 609307568 /nfs/dbraw/zinc/30/75/68/609307568.db2.gz IKTUHKNVAMENTB-LLVKDONJSA-N -1 3 382.493 3.762 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825074623 609307569 /nfs/dbraw/zinc/30/75/69/609307569.db2.gz IKTUHKNVAMENTB-LLVKDONJSA-N -1 3 382.493 3.762 20 0 GHADHM C[C@H]1SCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC000825021030 609320223 /nfs/dbraw/zinc/32/02/23/609320223.db2.gz OBESGXYLDIJVHI-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1SCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC000825021030 609320224 /nfs/dbraw/zinc/32/02/24/609320224.db2.gz OBESGXYLDIJVHI-ZIAGYGMSSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539281 609331434 /nfs/dbraw/zinc/33/14/34/609331434.db2.gz MKLQCMCOHZXIDZ-YVEFUNNKSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539281 609331436 /nfs/dbraw/zinc/33/14/36/609331436.db2.gz MKLQCMCOHZXIDZ-YVEFUNNKSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)c1cccs1 ZINC000824051918 609345562 /nfs/dbraw/zinc/34/55/62/609345562.db2.gz IFZNRHZGUCBKEV-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br)c1cccs1 ZINC000824051918 609345564 /nfs/dbraw/zinc/34/55/64/609345564.db2.gz IFZNRHZGUCBKEV-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663380 609348002 /nfs/dbraw/zinc/34/80/02/609348002.db2.gz YQRGMRLPWSAMPM-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663380 609348004 /nfs/dbraw/zinc/34/80/04/609348004.db2.gz YQRGMRLPWSAMPM-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824946126 609378788 /nfs/dbraw/zinc/37/87/88/609378788.db2.gz HRKMZWBGGCKZCQ-GUYCJALGSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824946126 609378790 /nfs/dbraw/zinc/37/87/90/609378790.db2.gz HRKMZWBGGCKZCQ-GUYCJALGSA-N -1 3 396.426 3.871 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824802068 609380856 /nfs/dbraw/zinc/38/08/56/609380856.db2.gz LDJYLXCNQZLQJJ-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CC1(C)CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824802068 609380859 /nfs/dbraw/zinc/38/08/59/609380859.db2.gz LDJYLXCNQZLQJJ-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826401634 609404785 /nfs/dbraw/zinc/40/47/85/609404785.db2.gz CULYVFIDMXIOED-ONOODXEBSA-N -1 3 391.450 3.815 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826401634 609404788 /nfs/dbraw/zinc/40/47/88/609404788.db2.gz CULYVFIDMXIOED-ONOODXEBSA-N -1 3 391.450 3.815 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826401633 609405197 /nfs/dbraw/zinc/40/51/97/609405197.db2.gz CULYVFIDMXIOED-HMWXGYMHSA-N -1 3 391.450 3.815 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826401633 609405198 /nfs/dbraw/zinc/40/51/98/609405198.db2.gz CULYVFIDMXIOED-HMWXGYMHSA-N -1 3 391.450 3.815 20 0 GHADHM CSc1ccc(C)c(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826230418 609408837 /nfs/dbraw/zinc/40/88/37/609408837.db2.gz SDBLVOQOUJNDGF-KRWDZBQOSA-N -1 3 394.504 3.505 20 0 GHADHM CSc1ccc(C)c(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826230418 609408839 /nfs/dbraw/zinc/40/88/39/609408839.db2.gz SDBLVOQOUJNDGF-KRWDZBQOSA-N -1 3 394.504 3.505 20 0 GHADHM O=C1[C@@H](Nc2ccc3ccccc3c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477901 609412294 /nfs/dbraw/zinc/41/22/94/609412294.db2.gz PBNQESDQSXHCOV-FQEVSTJZSA-N -1 3 384.443 3.627 20 0 GHADHM O=C1[C@@H](Nc2ccc3ccccc3c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477901 609412296 /nfs/dbraw/zinc/41/22/96/609412296.db2.gz PBNQESDQSXHCOV-FQEVSTJZSA-N -1 3 384.443 3.627 20 0 GHADHM CC(C)(C)c1cnc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000824135671 609445223 /nfs/dbraw/zinc/44/52/23/609445223.db2.gz IRYUDUZMALODHN-UHFFFAOYSA-N -1 3 398.858 3.603 20 0 GHADHM CC(C)(C)c1cnc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000824135671 609445225 /nfs/dbraw/zinc/44/52/25/609445225.db2.gz IRYUDUZMALODHN-UHFFFAOYSA-N -1 3 398.858 3.603 20 0 GHADHM CCCc1c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1C1CCCC1 ZINC000825348540 609477969 /nfs/dbraw/zinc/47/79/69/609477969.db2.gz PKLRBQHWVZTXQO-CQSZACIVSA-N -1 3 393.495 3.622 20 0 GHADHM CCCc1c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCCC1 ZINC000825348540 609477972 /nfs/dbraw/zinc/47/79/72/609477972.db2.gz PKLRBQHWVZTXQO-CQSZACIVSA-N -1 3 393.495 3.622 20 0 GHADHM CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1OC ZINC000825638350 609478925 /nfs/dbraw/zinc/47/89/25/609478925.db2.gz JWXZQZYRLOSJQQ-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1OC ZINC000825638350 609478928 /nfs/dbraw/zinc/47/89/28/609478928.db2.gz JWXZQZYRLOSJQQ-UHFFFAOYSA-N -1 3 383.452 3.673 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ncccc1C(F)(F)F ZINC000824324440 609479065 /nfs/dbraw/zinc/47/90/65/609479065.db2.gz OHIOULVETUKKCC-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ncccc1C(F)(F)F ZINC000824324440 609479069 /nfs/dbraw/zinc/47/90/69/609479069.db2.gz OHIOULVETUKKCC-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000825552952 609487787 /nfs/dbraw/zinc/48/77/87/609487787.db2.gz GJNRIBNJJQKSBU-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000825552952 609487789 /nfs/dbraw/zinc/48/77/89/609487789.db2.gz GJNRIBNJJQKSBU-UHFFFAOYSA-N -1 3 390.806 3.840 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824309436 609497245 /nfs/dbraw/zinc/49/72/45/609497245.db2.gz OQKXLXXUEFAQOW-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824309436 609497247 /nfs/dbraw/zinc/49/72/47/609497247.db2.gz OQKXLXXUEFAQOW-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826511974 609511661 /nfs/dbraw/zinc/51/16/61/609511661.db2.gz KTSKHOZYTJPENO-AHKFDXCISA-N -1 3 376.489 3.741 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826511974 609511662 /nfs/dbraw/zinc/51/16/62/609511662.db2.gz KTSKHOZYTJPENO-AHKFDXCISA-N -1 3 376.489 3.741 20 0 GHADHM Cc1ccnc(N2CCC[C@@H](c3nc4ccccc4s3)C2)c1-c1nnn[n-]1 ZINC000826309927 609521111 /nfs/dbraw/zinc/52/11/11/609521111.db2.gz GSODODMPHZLAMW-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1ccnc(N2CCC[C@@H](c3nc4ccccc4s3)C2)c1-c1nn[n-]n1 ZINC000826309927 609521112 /nfs/dbraw/zinc/52/11/12/609521112.db2.gz GSODODMPHZLAMW-CYBMUJFWSA-N -1 3 377.477 3.564 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000825181034 609532012 /nfs/dbraw/zinc/53/20/12/609532012.db2.gz BSVKZYQVUHBZBI-GOEBONIOSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000825181034 609532015 /nfs/dbraw/zinc/53/20/15/609532015.db2.gz BSVKZYQVUHBZBI-GOEBONIOSA-N -1 3 393.447 3.803 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826178204 609533983 /nfs/dbraw/zinc/53/39/83/609533983.db2.gz NTRFTOCUUAXHAQ-NSHDSACASA-N -1 3 388.859 3.722 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826178204 609533985 /nfs/dbraw/zinc/53/39/85/609533985.db2.gz NTRFTOCUUAXHAQ-NSHDSACASA-N -1 3 388.859 3.722 20 0 GHADHM Cc1cc(C(=O)N(C(C)C)C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257251 609548033 /nfs/dbraw/zinc/54/80/33/609548033.db2.gz UXKUVDGCEGHHKK-UHFFFAOYSA-N -1 3 393.495 3.544 20 0 GHADHM Cc1cc(C(=O)N(C(C)C)C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257251 609548035 /nfs/dbraw/zinc/54/80/35/609548035.db2.gz UXKUVDGCEGHHKK-UHFFFAOYSA-N -1 3 393.495 3.544 20 0 GHADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1Br)CCC2 ZINC000826327993 609565367 /nfs/dbraw/zinc/56/53/67/609565367.db2.gz BWHPUOJAZYSPKO-CYBMUJFWSA-N -1 3 391.298 3.884 20 0 GHADHM Cc1cc(C(=O)N(CC(C)C)CC(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257800 609595699 /nfs/dbraw/zinc/59/56/99/609595699.db2.gz PDLLNZUFSOKSSU-UHFFFAOYSA-N -1 3 395.511 3.505 20 0 GHADHM Cc1cc(C(=O)N(CC(C)C)CC(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257800 609595701 /nfs/dbraw/zinc/59/57/01/609595701.db2.gz PDLLNZUFSOKSSU-UHFFFAOYSA-N -1 3 395.511 3.505 20 0 GHADHM CCCCC[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825265732 609595801 /nfs/dbraw/zinc/59/58/01/609595801.db2.gz AMRAXSNKDGBZKM-KRWDZBQOSA-N -1 3 393.495 3.546 20 0 GHADHM CCCCC[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825265732 609595804 /nfs/dbraw/zinc/59/58/04/609595804.db2.gz AMRAXSNKDGBZKM-KRWDZBQOSA-N -1 3 393.495 3.546 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465169 609619417 /nfs/dbraw/zinc/61/94/17/609619417.db2.gz AZZNCWFWYQSYSX-MWLCHTKSSA-N -1 3 388.777 3.932 20 0 GHADHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000826465169 609619418 /nfs/dbraw/zinc/61/94/18/609619418.db2.gz AZZNCWFWYQSYSX-MWLCHTKSSA-N -1 3 388.777 3.932 20 0 GHADHM COc1ccccc1COC1CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000613200243 837391962 /nfs/dbraw/zinc/39/19/62/837391962.db2.gz HQAFNGUEZRYYJB-UHFFFAOYSA-N -1 3 387.501 3.944 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000063443169 837469626 /nfs/dbraw/zinc/46/96/26/837469626.db2.gz DDYFPWOOYBZQIJ-UHFFFAOYSA-N -1 3 393.505 3.998 20 0 GHADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000655659801 837553875 /nfs/dbraw/zinc/55/38/75/837553875.db2.gz ABLWJLSYOYOUGC-OAHLLOKOSA-N -1 3 377.384 3.795 20 0 GHADHM O=S(=O)([N-]CCCC1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000605588252 837585451 /nfs/dbraw/zinc/58/54/51/837585451.db2.gz GRCYXFYRVGAOMO-UHFFFAOYSA-N -1 3 386.233 3.936 20 0 GHADHM Cc1nc2cc(F)ccc2cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430140318 834394023 /nfs/dbraw/zinc/39/40/23/834394023.db2.gz NTTICDOJYIIGCS-UHFFFAOYSA-N -1 3 399.223 3.767 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(-c3ccncc3)ccc2C)c([O-])c1 ZINC000170831490 834635130 /nfs/dbraw/zinc/63/51/30/834635130.db2.gz KXYTWKFMVYCHNZ-UHFFFAOYSA-N -1 3 389.455 3.830 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1N1C(=O)N[C@H](C)C1=O ZINC000583596264 834717671 /nfs/dbraw/zinc/71/76/71/834717671.db2.gz DGKMXFMRBQZOOU-CYBMUJFWSA-N -1 3 389.411 3.551 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](c2ccccc2)O1 ZINC000138419059 834743756 /nfs/dbraw/zinc/74/37/56/834743756.db2.gz RBKXJMVFMMICSG-RDTXWAMCSA-N -1 3 375.428 3.631 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000177180232 837809413 /nfs/dbraw/zinc/80/94/13/837809413.db2.gz BMIFVFBKBVHNBN-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000510066380 834809703 /nfs/dbraw/zinc/80/97/03/834809703.db2.gz XQUYLZYJOAVTHS-UHFFFAOYSA-N -1 3 385.835 3.844 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000145445525 834814707 /nfs/dbraw/zinc/81/47/07/834814707.db2.gz NFXNEVFADKIHBY-UHFFFAOYSA-N -1 3 386.233 3.935 20 0 GHADHM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1[O-] ZINC000301997712 834844655 /nfs/dbraw/zinc/84/46/55/834844655.db2.gz JERDWVQCVBELEF-AWEZNQCLSA-N -1 3 396.274 3.877 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCO1 ZINC000935277293 834872326 /nfs/dbraw/zinc/87/23/26/834872326.db2.gz JYLDXSUAYSJXRC-SGTLLEGYSA-N -1 3 378.419 3.520 20 0 GHADHM O=C([O-])[C@H](NCc1cc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000683173837 834917522 /nfs/dbraw/zinc/91/75/22/834917522.db2.gz LJBBFTULVGTKGG-MRXNPFEDSA-N -1 3 387.233 3.618 20 0 GHADHM CC(C)(c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C(F)F ZINC000685384560 834967412 /nfs/dbraw/zinc/96/74/12/834967412.db2.gz HFLILLASGHKXTG-UHFFFAOYSA-N -1 3 384.184 3.827 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c(-c2ccccc2)s1 ZINC001211493991 834993947 /nfs/dbraw/zinc/99/39/47/834993947.db2.gz GFGAEGDTRLWLLY-HIFRSBDPSA-N -1 3 380.535 3.602 20 0 GHADHM CCCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccc(C)cc1 ZINC000278431422 835065523 /nfs/dbraw/zinc/06/55/23/835065523.db2.gz GXBGJLOULWBKGD-UHFFFAOYSA-N -1 3 393.491 3.817 20 0 GHADHM CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000050808990 835169662 /nfs/dbraw/zinc/16/96/62/835169662.db2.gz KUHQGJBBWFWORN-UHFFFAOYSA-N -1 3 378.469 3.935 20 0 GHADHM Cc1nc2c(n1[C@H]1CCN(c3c(C(=O)[O-])cnc4ccccc43)C1)CCCC2 ZINC000583997258 835374974 /nfs/dbraw/zinc/37/49/74/835374974.db2.gz AMJUUHIFPYJGBH-HNNXBMFYSA-N -1 3 376.460 3.768 20 0 GHADHM Cc1nc2c(n1[C@@H]1CCN(c3c(C(=O)[O-])cnc4ccccc43)C1)CCCC2 ZINC000583997259 835375345 /nfs/dbraw/zinc/37/53/45/835375345.db2.gz AMJUUHIFPYJGBH-OAHLLOKOSA-N -1 3 376.460 3.768 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([O-])ccc2Cl)cc1C ZINC000433362950 844052514 /nfs/dbraw/zinc/05/25/14/844052514.db2.gz QAUWNJQWLMHMCE-KRWDZBQOSA-N -1 3 390.892 3.816 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1sccc1Br ZINC000151533449 835508787 /nfs/dbraw/zinc/50/87/87/835508787.db2.gz UFYQIRPFTUEQNZ-UHFFFAOYSA-N -1 3 391.084 3.909 20 0 GHADHM CC(C)Oc1ccccc1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151558729 835525243 /nfs/dbraw/zinc/52/52/43/835525243.db2.gz GFARPEKWGIOUNB-UHFFFAOYSA-N -1 3 378.266 3.801 20 0 GHADHM COc1ccc([C@H](C)CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151561815 835538935 /nfs/dbraw/zinc/53/89/35/835538935.db2.gz XTIQSHQSHMNUCG-GFCCVEGCSA-N -1 3 378.266 3.973 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)cc1Cl ZINC000548866504 835561714 /nfs/dbraw/zinc/56/17/14/835561714.db2.gz NSTQCTQNDNYNNU-UHFFFAOYSA-N -1 3 380.215 3.869 20 0 GHADHM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1C ZINC000047268070 835680524 /nfs/dbraw/zinc/68/05/24/835680524.db2.gz DPLDVGPZDYLLJZ-UHFFFAOYSA-N -1 3 387.436 3.824 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)N=c2cc3ccc(Br)cn3[n-]2)C1 ZINC000429955788 844080399 /nfs/dbraw/zinc/08/03/99/844080399.db2.gz QMUIGQWODFNJFI-JSGCOSHPSA-N -1 3 397.342 3.657 20 0 GHADHM CC(C)(CNC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccs1 ZINC000429944041 844081483 /nfs/dbraw/zinc/08/14/83/844081483.db2.gz OEDBNJQIKZMJPW-UHFFFAOYSA-N -1 3 393.310 3.680 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N(Cc1cccs1)C1CC1 ZINC000429943709 844081629 /nfs/dbraw/zinc/08/16/29/844081629.db2.gz KFZIEKNSTQNPPA-UHFFFAOYSA-N -1 3 391.294 3.777 20 0 GHADHM O=S(=O)([N-]Cc1nc([C@@H]2C[C@H]2c2ccccc2)no1)c1ccc(Cl)s1 ZINC000548890944 835796134 /nfs/dbraw/zinc/79/61/34/835796134.db2.gz DBYDZPCZZJYKHL-NWDGAFQWSA-N -1 3 395.893 3.534 20 0 GHADHM CC(C)NC(=O)NC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCCCC1 ZINC000472393607 835806875 /nfs/dbraw/zinc/80/68/75/835806875.db2.gz CASKCNJUQRKILO-UHFFFAOYSA-N -1 3 387.402 3.760 20 0 GHADHM CCOc1ccccc1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000120120977 835888352 /nfs/dbraw/zinc/88/83/52/835888352.db2.gz OWEKCPDWVIXWIL-UHFFFAOYSA-N -1 3 393.281 3.595 20 0 GHADHM C[C@@H](Sc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511332476 835947278 /nfs/dbraw/zinc/94/72/78/835947278.db2.gz IYNDEGVKUPNDFW-LLVKDONJSA-N -1 3 376.279 3.638 20 0 GHADHM Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000023988292 836032187 /nfs/dbraw/zinc/03/21/87/836032187.db2.gz QWBDPWNGKSNWPO-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM CSc1c(F)cccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511339274 836091754 /nfs/dbraw/zinc/09/17/54/836091754.db2.gz VCFXJLMWXPMBNO-UHFFFAOYSA-N -1 3 380.242 3.632 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000045743744 836170721 /nfs/dbraw/zinc/17/07/21/836170721.db2.gz UKCVVTLQFJGPGT-ZDUSSCGKSA-N -1 3 385.316 3.798 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)c(C)cc2Cl)cc1OC ZINC000180597797 836218978 /nfs/dbraw/zinc/21/89/78/836218978.db2.gz PNWCTEJVYYFVNZ-UHFFFAOYSA-N -1 3 396.896 3.979 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C)ccc2C)cc1 ZINC000030712921 836278375 /nfs/dbraw/zinc/27/83/75/836278375.db2.gz GDFXGJOINDEMQY-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000636358860 836385229 /nfs/dbraw/zinc/38/52/29/836385229.db2.gz NAUPJDGPWAJFLL-VIFPVBQESA-N -1 3 379.310 3.939 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1occ2c1CCOC2 ZINC000376022736 836545908 /nfs/dbraw/zinc/54/59/08/836545908.db2.gz FSQRFQCCBSJLQI-MRXNPFEDSA-N -1 3 381.457 3.924 20 0 GHADHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1[O-] ZINC000153683696 836611456 /nfs/dbraw/zinc/61/14/56/836611456.db2.gz MXWUHGPKMXWTKR-UHFFFAOYSA-N -1 3 387.848 3.936 20 0 GHADHM COc1cc(C)c([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC000120176481 837020153 /nfs/dbraw/zinc/02/01/53/837020153.db2.gz VFICXQHQRSLMKB-ZDUSSCGKSA-N -1 3 393.443 3.846 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC000066306608 837122823 /nfs/dbraw/zinc/12/28/23/837122823.db2.gz XWQBQJXLJWJMKT-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM CCOc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cc(Cl)c1[O-] ZINC000186588535 837295367 /nfs/dbraw/zinc/29/53/67/837295367.db2.gz MFAGTWPSEACVLX-LBPRGKRZSA-N -1 3 394.924 3.682 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc(OC(F)(F)F)c1 ZINC001143473084 837345488 /nfs/dbraw/zinc/34/54/88/837345488.db2.gz WNJARKIWHAKTFC-UHFFFAOYSA-N -1 3 394.393 3.557 20 0 GHADHM O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc2n[n-]nc21 ZINC000187700447 837891426 /nfs/dbraw/zinc/89/14/26/837891426.db2.gz VITOCCPVAJBYTJ-UHFFFAOYSA-N -1 3 387.230 3.762 20 0 GHADHM CC(C)c1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000164604114 837959326 /nfs/dbraw/zinc/95/93/26/837959326.db2.gz OCVCQZZHPILRNQ-UHFFFAOYSA-N -1 3 394.258 3.517 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(-c3cnc(C)o3)cc1)c2=O ZINC000613548255 837970538 /nfs/dbraw/zinc/97/05/38/837970538.db2.gz UYJOFFMQRKVNLI-UHFFFAOYSA-N -1 3 375.384 3.752 20 0 GHADHM C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1 ZINC000728724092 838147079 /nfs/dbraw/zinc/14/70/79/838147079.db2.gz HZMHTIBOCANCIG-CYBMUJFWSA-N -1 3 388.420 3.873 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000377957134 838205146 /nfs/dbraw/zinc/20/51/46/838205146.db2.gz KYJJOBNYZMECPL-UHFFFAOYSA-N -1 3 398.513 3.847 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)c1[O-] ZINC000580005896 838310107 /nfs/dbraw/zinc/31/01/07/838310107.db2.gz APLRVACKFHWZQI-UHFFFAOYSA-N -1 3 394.431 3.523 20 0 GHADHM CC(C)(C)C(=O)NCCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166472 838333642 /nfs/dbraw/zinc/33/36/42/838333642.db2.gz FNQRZRHNTRAWNX-UHFFFAOYSA-N -1 3 397.306 3.686 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nc2c(s1)CCC2 ZINC000584518801 838347191 /nfs/dbraw/zinc/34/71/91/838347191.db2.gz OJXRFJWFPPJGAG-MRVPVSSYSA-N -1 3 377.318 3.978 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C)c(Br)c(F)c2)c(=O)[n-]1 ZINC000416030550 838433881 /nfs/dbraw/zinc/43/38/81/838433881.db2.gz RZRCNPXYYNDRQQ-UHFFFAOYSA-N -1 3 382.233 3.580 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000295634517 838469243 /nfs/dbraw/zinc/46/92/43/838469243.db2.gz PCEJJEPZZKWTRW-HNAYVOBHSA-N -1 3 386.473 3.710 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000179398759 838542172 /nfs/dbraw/zinc/54/21/72/838542172.db2.gz MVHMGBKVMZTRNV-ZDUSSCGKSA-N -1 3 379.416 3.774 20 0 GHADHM [O-]C(=Cc1nc(-c2ccc(CN3CCOCC3)cc2)no1)c1ccccc1Cl ZINC001211647405 838558478 /nfs/dbraw/zinc/55/84/78/838558478.db2.gz OBZSUSKYTHVBIR-UHFFFAOYSA-N -1 3 397.862 3.648 20 0 GHADHM CC[C@H](CSC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000180179569 838558860 /nfs/dbraw/zinc/55/88/60/838558860.db2.gz OIOCKMKHMKYEOA-IEBWSBKVSA-N -1 3 386.517 3.511 20 0 GHADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC2CCCC2)c(Cl)cc1Cl ZINC000098067578 838580281 /nfs/dbraw/zinc/58/02/81/838580281.db2.gz JDHJOXGNCBAHKS-UHFFFAOYSA-N -1 3 393.336 3.600 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)c(OC)c2)s1 ZINC000460951216 838649938 /nfs/dbraw/zinc/64/99/38/838649938.db2.gz VTQXBOJCLLNMAQ-UHFFFAOYSA-N -1 3 396.534 3.514 20 0 GHADHM O=C([O-])[C@]12CN(Cc3csc(COc4ccc(F)cc4)n3)C[C@H]1CCCC2 ZINC000659798566 838680354 /nfs/dbraw/zinc/68/03/54/838680354.db2.gz IUTQYXHLMZNKPF-JLTOFOAXSA-N -1 3 390.480 3.938 20 0 GHADHM Cc1ccc(SC2CCCC2)c(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000182066844 838687249 /nfs/dbraw/zinc/68/72/49/838687249.db2.gz MMFNQOSNBZWYGI-UHFFFAOYSA-N -1 3 398.528 3.895 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1OC)c1nc(C(F)(F)F)cs1 ZINC000659919753 838690745 /nfs/dbraw/zinc/69/07/45/838690745.db2.gz FTEYKHODDZCJIA-VIFPVBQESA-N -1 3 398.403 3.739 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Cl)nc1C(F)(F)F ZINC000785003698 838699425 /nfs/dbraw/zinc/69/94/25/838699425.db2.gz DJHWWRMMDFXLAP-UHFFFAOYSA-N -1 3 399.712 3.866 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000416252706 838818251 /nfs/dbraw/zinc/81/82/51/838818251.db2.gz PNVLBMYZYIVZPI-HNNXBMFYSA-N -1 3 384.476 3.645 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCc1cccs1 ZINC000182874073 838837719 /nfs/dbraw/zinc/83/77/19/838837719.db2.gz OFLXUVBUZVONSE-HXUWFJFHSA-N -1 3 394.496 3.674 20 0 GHADHM Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000182899487 838852269 /nfs/dbraw/zinc/85/22/69/838852269.db2.gz KRFLWXSSFVMBPQ-IBGZPJMESA-N -1 3 375.428 3.596 20 0 GHADHM O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027802033 838873165 /nfs/dbraw/zinc/87/31/65/838873165.db2.gz PZWSBCFDRHFTNM-UHFFFAOYSA-N -1 3 389.408 3.541 20 0 GHADHM COc1ccccc1CN(Cc1cc(=O)oc2cc([O-])ccc12)C[C@H]1CCCO1 ZINC000182035715 838955558 /nfs/dbraw/zinc/95/55/58/838955558.db2.gz ZGNFQALVEJUCOM-LJQANCHMSA-N -1 3 395.455 3.688 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnn3-c3ccccc3)c2)n1 ZINC000377071871 838960529 /nfs/dbraw/zinc/96/05/29/838960529.db2.gz FYEHTGKOBKWTQQ-UHFFFAOYSA-N -1 3 385.427 3.850 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000377139659 839022606 /nfs/dbraw/zinc/02/26/06/839022606.db2.gz JVDUMFUEDUUMFU-HXUWFJFHSA-N -1 3 393.409 3.777 20 0 GHADHM CC1(C)CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000183777636 839067836 /nfs/dbraw/zinc/06/78/36/839067836.db2.gz LRFLRNCAGSUBJZ-FQEVSTJZSA-N -1 3 380.488 3.902 20 0 GHADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC000182822455 839161317 /nfs/dbraw/zinc/16/13/17/839161317.db2.gz XHVMDTFQCRVZOU-UHFFFAOYSA-N -1 3 387.745 3.839 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1C ZINC000055585966 839312329 /nfs/dbraw/zinc/31/23/29/839312329.db2.gz XHXABHTYJYXKIE-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C)cc1Cl ZINC000416520842 839357417 /nfs/dbraw/zinc/35/74/17/839357417.db2.gz XZPNKFYEVHJUFQ-QFYYESIMSA-N -1 3 376.881 3.685 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC4(CCCC4)C3)cs2)c1 ZINC000183963269 839410321 /nfs/dbraw/zinc/41/03/21/839410321.db2.gz LTFFTJMRRAZHLM-UHFFFAOYSA-N -1 3 399.516 3.745 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1Cl ZINC000683925103 839479938 /nfs/dbraw/zinc/47/99/38/839479938.db2.gz VWGPNSOXPACJPH-UHFFFAOYSA-N -1 3 383.853 3.619 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006436351 839500179 /nfs/dbraw/zinc/50/01/79/839500179.db2.gz OKJTVNHTAQGDGH-RDTXWAMCSA-N -1 3 390.480 3.935 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 ZINC000125659371 839598709 /nfs/dbraw/zinc/59/87/09/839598709.db2.gz WRBYTBQOGIDQQI-HNNXBMFYSA-N -1 3 382.460 3.976 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl)C(C)C ZINC000647128038 839760035 /nfs/dbraw/zinc/76/00/35/839760035.db2.gz NJVTYZMXBHKLDG-GFCCVEGCSA-N -1 3 388.686 3.654 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)cc2)n1 ZINC000432888688 844492877 /nfs/dbraw/zinc/49/28/77/844492877.db2.gz DTQOCNPXTZNZDT-BFUOFWGJSA-N -1 3 395.484 3.695 20 0 GHADHM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000014867733 840124599 /nfs/dbraw/zinc/12/45/99/840124599.db2.gz IOVXSBUGBQCAHS-UHFFFAOYSA-N -1 3 395.546 3.741 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000108734322 840231319 /nfs/dbraw/zinc/23/13/19/840231319.db2.gz VNCZQGFJONKGFU-UHFFFAOYSA-N -1 3 377.831 3.861 20 0 GHADHM O=C([O-])CC1(CNCc2cn(-c3ccc(F)cc3Cl)nn2)CCCCC1 ZINC000276988421 844525033 /nfs/dbraw/zinc/52/50/33/844525033.db2.gz JMWXOEIKVCHBPM-UHFFFAOYSA-N -1 3 380.851 3.575 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1cccc(C(F)F)c1 ZINC000780388553 840349062 /nfs/dbraw/zinc/34/90/62/840349062.db2.gz DTSHFMLUTXHELS-UHFFFAOYSA-N -1 3 384.473 3.978 20 0 GHADHM Cc1nc(CCCC(=O)[N-]OCc2ccc(F)cc2Br)cs1 ZINC000186650776 840465680 /nfs/dbraw/zinc/46/56/80/840465680.db2.gz HZCWJXPOGHQBHR-UHFFFAOYSA-N -1 3 387.274 3.924 20 0 GHADHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000660163830 840529944 /nfs/dbraw/zinc/52/99/44/840529944.db2.gz WPSFKQYPFNCNIW-QMTHXVAHSA-N -1 3 393.814 3.759 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048244354 840673701 /nfs/dbraw/zinc/67/37/01/840673701.db2.gz WGQHOOFLLMDHKI-UHFFFAOYSA-N -1 3 396.896 3.816 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1)C1CC1 ZINC000581092698 840683096 /nfs/dbraw/zinc/68/30/96/840683096.db2.gz XPQMCCYOGDROOZ-UHFFFAOYSA-N -1 3 393.418 3.743 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000581115597 840739066 /nfs/dbraw/zinc/73/90/66/840739066.db2.gz HYLGKZRHYGBFFO-RDJZCZTQSA-N -1 3 387.277 3.551 20 0 GHADHM CC(C)CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047297484 840741836 /nfs/dbraw/zinc/74/18/36/840741836.db2.gz HROZDSYEHVXBTH-CQSZACIVSA-N -1 3 395.500 3.899 20 0 GHADHM CN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000047297993 840742349 /nfs/dbraw/zinc/74/23/49/840742349.db2.gz CCMZIHMCCSKETM-UHFFFAOYSA-N -1 3 393.484 3.607 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(I)ccc1[O-] ZINC000610485714 840864329 /nfs/dbraw/zinc/86/43/29/840864329.db2.gz ATTPIGXGYWZHQG-AWEZNQCLSA-N -1 3 389.233 3.673 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc2ncccc2c1 ZINC000525532687 840900302 /nfs/dbraw/zinc/90/03/02/840900302.db2.gz BCQPLNDWDUEYCO-UHFFFAOYSA-N -1 3 382.363 3.977 20 0 GHADHM COC(=O)c1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000417573945 841010220 /nfs/dbraw/zinc/01/02/20/841010220.db2.gz QVOMZEFQBPSBES-AWEZNQCLSA-N -1 3 385.247 3.804 20 0 GHADHM C[C@@H]1CCc2nc(CNC[C@@H](Cc3cc(F)c(F)c(F)c3)C(=O)[O-])sc2C1 ZINC000417640147 841092700 /nfs/dbraw/zinc/09/27/00/841092700.db2.gz WIZXZDLIOVZYRV-ZYHUDNBSSA-N -1 3 398.450 3.718 20 0 GHADHM COc1cccc(C[C@@H](CNCc2csc(-c3ccsc3)n2)C(=O)[O-])c1 ZINC000417657668 841109371 /nfs/dbraw/zinc/10/93/71/841109371.db2.gz YTNMQCDDMNZLMU-HNNXBMFYSA-N -1 3 388.514 3.913 20 0 GHADHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429844623 844615255 /nfs/dbraw/zinc/61/52/55/844615255.db2.gz LOHABLSHMRJLMW-DGCLKSJQSA-N -1 3 396.734 3.584 20 0 GHADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)cc1 ZINC000432918549 844627994 /nfs/dbraw/zinc/62/79/94/844627994.db2.gz PQZDWESYEZQYOH-SNVBAGLBSA-N -1 3 375.226 3.960 20 0 GHADHM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)C1=Cc2ccccc2OC1 ZINC000190231671 841314004 /nfs/dbraw/zinc/31/40/04/841314004.db2.gz NVDLSCPLSOQPEW-UHFFFAOYSA-N -1 3 394.452 3.836 20 0 GHADHM CSCCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000548173670 841412051 /nfs/dbraw/zinc/41/20/51/841412051.db2.gz SJPUGEOWJGWCEB-UHFFFAOYSA-N -1 3 383.311 3.554 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3c(C)cccc3C)c2)n1 ZINC000049301906 841499094 /nfs/dbraw/zinc/49/90/94/841499094.db2.gz SOAUZHCHCISZCJ-UHFFFAOYSA-N -1 3 377.444 3.634 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3c(C)cc(C)cc3C)c2)n1 ZINC000049302230 841502735 /nfs/dbraw/zinc/50/27/35/841502735.db2.gz WYIMTELYICEDIN-UHFFFAOYSA-N -1 3 391.471 3.942 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccccc3CC)c2)n1 ZINC000049303046 841506018 /nfs/dbraw/zinc/50/60/18/841506018.db2.gz XAFQOJIVKBSUDT-UHFFFAOYSA-N -1 3 377.444 3.579 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000184098034 841548606 /nfs/dbraw/zinc/54/86/06/841548606.db2.gz POUVJJBGWSLSJQ-WWMYMODYSA-N -1 3 380.488 3.900 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1)C1CCCCC1 ZINC000656615912 841565583 /nfs/dbraw/zinc/56/55/83/841565583.db2.gz GWWZFVAUYSRCCE-WOJBJXKFSA-N -1 3 397.537 3.581 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000656619884 841586812 /nfs/dbraw/zinc/58/68/12/841586812.db2.gz ZJHMHRWVNSROEI-MRXNPFEDSA-N -1 3 388.917 3.635 20 0 GHADHM O=C(CCn1c2ccccc2c2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000600196228 861233895 /nfs/dbraw/zinc/23/38/95/861233895.db2.gz MUXXIRXZBKBHST-UHFFFAOYSA-N -1 3 396.454 3.681 20 0 GHADHM O=C(CCn1c2ccccc2c2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000600196228 861233909 /nfs/dbraw/zinc/23/39/09/861233909.db2.gz MUXXIRXZBKBHST-UHFFFAOYSA-N -1 3 396.454 3.681 20 0 GHADHM COc1ccc(C2CCN(Cc3cccc([O-])c3Br)CC2)nc1 ZINC000651870238 841767149 /nfs/dbraw/zinc/76/71/49/841767149.db2.gz XWBHMJNDOYUPFB-UHFFFAOYSA-N -1 3 377.282 3.938 20 0 GHADHM Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)c(C)c1 ZINC000684337955 841793282 /nfs/dbraw/zinc/79/32/82/841793282.db2.gz KCJAEBFZSFRCIU-NQIIRXRSSA-N -1 3 392.499 3.630 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(-n4cccc4)cc3)c2)n1 ZINC000046066095 841943657 /nfs/dbraw/zinc/94/36/57/841943657.db2.gz GPLJQPXMBJBITQ-UHFFFAOYSA-N -1 3 398.466 3.971 20 0 GHADHM CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000219967171 842067279 /nfs/dbraw/zinc/06/72/79/842067279.db2.gz IAQFLWSSOJQPEB-UHFFFAOYSA-N -1 3 390.480 3.713 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000663522424 842085601 /nfs/dbraw/zinc/08/56/01/842085601.db2.gz XNKKSNXZIVZALC-AWEZNQCLSA-N -1 3 397.475 3.960 20 0 GHADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512011795 842118142 /nfs/dbraw/zinc/11/81/42/842118142.db2.gz SNJWUMKNSMFXMN-SECBINFHSA-N -1 3 391.258 3.740 20 0 GHADHM Cc1cccc(NC2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CC2)c1 ZINC000933421811 842164789 /nfs/dbraw/zinc/16/47/89/842164789.db2.gz XGXYQAORCZPQPL-UHFFFAOYSA-N -1 3 397.425 3.831 20 0 GHADHM CSC[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184226291 842168747 /nfs/dbraw/zinc/16/87/47/842168747.db2.gz VHJACOFIENIIOC-ICSRJNTNSA-N -1 3 398.528 3.607 20 0 GHADHM O=C(N[C@@H](CC(=O)N(CC(F)F)C1CC1)c1ccccc1)c1ccc([O-])cc1 ZINC000184233978 842183026 /nfs/dbraw/zinc/18/30/26/842183026.db2.gz ICFWUIMDEVJYBC-SFHVURJKSA-N -1 3 388.414 3.510 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)c1nccs1 ZINC000656907689 842253526 /nfs/dbraw/zinc/25/35/26/842253526.db2.gz NOUZVJCSMBSCNK-NSHDSACASA-N -1 3 395.731 3.989 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000581837298 842263448 /nfs/dbraw/zinc/26/34/48/842263448.db2.gz NOPINTMIOXMZQJ-ZDUSSCGKSA-N -1 3 397.504 3.513 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1(C2CC2)CCC1 ZINC000184276626 842300816 /nfs/dbraw/zinc/30/08/16/842300816.db2.gz YWORYLQPBLTLRF-OAQYLSRUSA-N -1 3 392.499 3.950 20 0 GHADHM Cc1sc(CNC(=O)NCc2ncccc2[O-])nc1-c1ccc(Cl)cc1 ZINC000471740356 842319248 /nfs/dbraw/zinc/31/92/48/842319248.db2.gz WRNRPJPARLOSKP-UHFFFAOYSA-N -1 3 388.880 3.872 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)c1nc(C2CCCCC2)no1 ZINC000656922370 842413169 /nfs/dbraw/zinc/41/31/69/842413169.db2.gz IUNWUCRXGKZNLU-WDEREUQCSA-N -1 3 383.436 3.686 20 0 GHADHM C[C@H](CC(F)(F)F)CS(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000656922367 842413271 /nfs/dbraw/zinc/41/32/71/842413271.db2.gz IUNWUCRXGKZNLU-GHMZBOCLSA-N -1 3 383.436 3.686 20 0 GHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc([O-])ccc1Cl ZINC000512097154 842487819 /nfs/dbraw/zinc/48/78/19/842487819.db2.gz BRTJPKYELHZCQI-MRXNPFEDSA-N -1 3 382.243 3.603 20 0 GHADHM CCc1noc(C)c1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184335921 842501946 /nfs/dbraw/zinc/50/19/46/842501946.db2.gz CTKWOUUVKSYWOC-IBGZPJMESA-N -1 3 393.443 3.751 20 0 GHADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000512106884 842510428 /nfs/dbraw/zinc/51/04/28/842510428.db2.gz SSPPZBJQUJYEHQ-GOSISDBHSA-N -1 3 384.455 3.542 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(Br)cc2[O-])[nH]c(C)c1C(=O)OC ZINC000603881895 861320002 /nfs/dbraw/zinc/32/00/02/861320002.db2.gz DBZAGSXCZLKXLN-UHFFFAOYSA-N -1 3 395.253 3.783 20 0 GHADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000652441281 842552142 /nfs/dbraw/zinc/55/21/42/842552142.db2.gz CMHRTSCTHJAABW-RDTXWAMCSA-N -1 3 378.428 3.864 20 0 GHADHM O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)NCc1ncccc1[O-] ZINC000471803195 842599375 /nfs/dbraw/zinc/59/93/75/842599375.db2.gz GCLXXKCMWWMCCL-UHFFFAOYSA-N -1 3 389.455 3.779 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(Br)c1OC(F)F ZINC000652490713 842628851 /nfs/dbraw/zinc/62/88/51/842628851.db2.gz VDPOTVGINIABMF-XWIASGKRSA-N -1 3 390.224 3.736 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCC[C@H]2C)cc1Cl ZINC000512152557 842658963 /nfs/dbraw/zinc/65/89/63/842658963.db2.gz DKEMVTCXBINPBU-DGCLKSJQSA-N -1 3 390.908 3.932 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)cc(C)c1F ZINC000432495663 842695073 /nfs/dbraw/zinc/69/50/73/842695073.db2.gz IVSDTONKKFKBIN-KRWDZBQOSA-N -1 3 378.469 3.629 20 0 GHADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512168040 842711419 /nfs/dbraw/zinc/71/14/19/842711419.db2.gz ZSPRGDKWGBAGBI-SECBINFHSA-N -1 3 391.258 3.740 20 0 GHADHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000050633240 842736225 /nfs/dbraw/zinc/73/62/25/842736225.db2.gz PZTOMLZKVRLNNK-KRWDZBQOSA-N -1 3 392.455 3.770 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1Br ZINC000028082302 842875015 /nfs/dbraw/zinc/87/50/15/842875015.db2.gz ONCMUXHSKRAFAA-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM Cc1ccc(-c2ccc(CN(C(C)C)[C@H]3CCN(CC(=O)[O-])C3=O)s2)cc1 ZINC000662203281 842882341 /nfs/dbraw/zinc/88/23/41/842882341.db2.gz PZFRJTKZYIESTG-SFHVURJKSA-N -1 3 386.517 3.619 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000663261106 842942535 /nfs/dbraw/zinc/94/25/35/842942535.db2.gz YILXSRQOBZASDA-AUUYWEPGSA-N -1 3 377.868 3.978 20 0 GHADHM CC(C)n1ncc2cc(CN[C@@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cnc21 ZINC000663263392 842948941 /nfs/dbraw/zinc/94/89/41/842948941.db2.gz ZXFXEMNYIPNSFC-MRXNPFEDSA-N -1 3 392.381 3.947 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001211704769 843049712 /nfs/dbraw/zinc/04/97/12/843049712.db2.gz FDIBYDUQPYYQAF-KGLIPLIRSA-N -1 3 385.501 3.743 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)c(C)c2)c1 ZINC000186312911 843068487 /nfs/dbraw/zinc/06/84/87/843068487.db2.gz RORCTGBUFGQICX-UHFFFAOYSA-N -1 3 399.834 3.833 20 0 GHADHM COC(=O)c1cc([C@@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)oc1C ZINC000430899059 843152889 /nfs/dbraw/zinc/15/28/89/843152889.db2.gz GRSVAMJBCLTRTO-CYBMUJFWSA-N -1 3 388.445 3.608 20 0 GHADHM COC(=O)c1cc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)oc1C ZINC000430899059 843152896 /nfs/dbraw/zinc/15/28/96/843152896.db2.gz GRSVAMJBCLTRTO-CYBMUJFWSA-N -1 3 388.445 3.608 20 0 GHADHM O=C(NCc1cccs1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000025713131 843164236 /nfs/dbraw/zinc/16/42/36/843164236.db2.gz VTVKPDKYKNSDBV-UHFFFAOYSA-N -1 3 390.461 3.618 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C1CCC(C(C)C)CC1 ZINC000432568644 843168860 /nfs/dbraw/zinc/16/88/60/843168860.db2.gz UKQAEMOUBQJKMU-UHFFFAOYSA-N -1 3 396.535 3.746 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([S@@](C)=O)cc2)c1Cl ZINC000610590889 843224884 /nfs/dbraw/zinc/22/48/84/843224884.db2.gz FVCDQOKTHDOVKP-JOCHJYFZSA-N -1 3 392.329 3.518 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1F ZINC000471895295 843305694 /nfs/dbraw/zinc/30/56/94/843305694.db2.gz KTKLUVKUHWENPL-LBPRGKRZSA-N -1 3 393.415 3.504 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc2c[nH]nc21 ZINC000159342281 843314393 /nfs/dbraw/zinc/31/43/93/843314393.db2.gz VHKOQMZMLIEZGS-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc2cn[nH]c21 ZINC000159342281 843314407 /nfs/dbraw/zinc/31/44/07/843314407.db2.gz VHKOQMZMLIEZGS-UHFFFAOYSA-N -1 3 392.440 3.616 20 0 GHADHM CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C(c1ccccc1)c1ccccc1 ZINC000430977401 843349818 /nfs/dbraw/zinc/34/98/18/843349818.db2.gz WCPWIABVFRXNBB-UHFFFAOYSA-N -1 3 375.472 3.980 20 0 GHADHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1F ZINC000432649004 843354111 /nfs/dbraw/zinc/35/41/11/843354111.db2.gz LSEFJIKZOWNYGQ-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM COC(=O)c1cnc(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)[n-]1 ZINC000432673067 843403686 /nfs/dbraw/zinc/40/36/86/843403686.db2.gz VQIMCPHACYWAMT-UHFFFAOYSA-N -1 3 397.416 3.502 20 0 GHADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H](C)CC ZINC000600255531 861417605 /nfs/dbraw/zinc/41/76/05/861417605.db2.gz YAHRXZCLSBLXMX-CQSZACIVSA-N -1 3 395.500 3.995 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@@H](c4cccc(C)c4C)C3=O)cc2)cc(=O)[n-]1 ZINC000349274884 861423749 /nfs/dbraw/zinc/42/37/49/861423749.db2.gz HARUGYBXOWMKQV-FQEVSTJZSA-N -1 3 388.427 3.572 20 0 GHADHM Cc1cc(C)cc([C@H]2NC(=O)N(c3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2=O)c1 ZINC000349296222 861427825 /nfs/dbraw/zinc/42/78/25/861427825.db2.gz KXGYJYMSOVLPBD-HXUWFJFHSA-N -1 3 388.427 3.572 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)cc2)n1 ZINC000112800904 843623721 /nfs/dbraw/zinc/62/37/21/843623721.db2.gz OQIZIICQJVNOBX-DLBZAZTESA-N -1 3 381.382 3.766 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)ccc1F)c1cc(Cl)ccc1Br ZINC000429817130 843640493 /nfs/dbraw/zinc/64/04/93/843640493.db2.gz AMNKZZBLJVMIIZ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4ccc(F)cc4c3)c2)n1 ZINC000178974287 861446346 /nfs/dbraw/zinc/44/63/46/861446346.db2.gz SLKVYIPEWPHZTJ-UHFFFAOYSA-N -1 3 388.402 3.939 20 0 GHADHM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432758592 843725195 /nfs/dbraw/zinc/72/51/95/843725195.db2.gz GNYMDTDPVDHKBF-UHFFFAOYSA-N -1 3 387.274 3.763 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1Cl ZINC000432762131 843742354 /nfs/dbraw/zinc/74/23/54/843742354.db2.gz CVWSDGXXNHZSEJ-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM COc1ccc(CCC(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)cc1 ZINC000512853750 843875059 /nfs/dbraw/zinc/87/50/59/843875059.db2.gz CCMDRASQJVHKMV-UHFFFAOYSA-N -1 3 385.851 3.741 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cn2cccn2)c2ccccc2)nc2c3ccccc3oc21 ZINC000673715329 861470702 /nfs/dbraw/zinc/47/07/02/861470702.db2.gz YQMPSILQQFOEAB-KRWDZBQOSA-N -1 3 385.427 3.809 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1 ZINC000500761762 843968667 /nfs/dbraw/zinc/96/86/67/843968667.db2.gz GCAIMADRNVTNIY-UHFFFAOYSA-N -1 3 388.895 3.575 20 0 GHADHM O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc([O-])ccc1Cl ZINC000512941259 844010422 /nfs/dbraw/zinc/01/04/22/844010422.db2.gz VNRNEUAWFXHTNA-ZDUSSCGKSA-N -1 3 386.604 3.811 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1(F)F ZINC000657159177 844746640 /nfs/dbraw/zinc/74/66/40/844746640.db2.gz DVXXUBRRLLECSZ-LLVKDONJSA-N -1 3 388.661 3.816 20 0 GHADHM O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)c1cc([O-])ccc1Cl ZINC000555657152 861510898 /nfs/dbraw/zinc/51/08/98/861510898.db2.gz DXLXXBMTMMMQEZ-UHFFFAOYSA-N -1 3 381.819 3.623 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCS1 ZINC000429847030 845140449 /nfs/dbraw/zinc/14/04/49/845140449.db2.gz FYHNXFKDXKSRRZ-LBPRGKRZSA-N -1 3 384.748 3.667 20 0 GHADHM [O-]c1ccc(F)c(CNCc2cnn(-c3ccc(Br)cc3)c2)c1F ZINC000513281429 845180342 /nfs/dbraw/zinc/18/03/42/845180342.db2.gz PCKKZEKWXFOENF-UHFFFAOYSA-N -1 3 394.219 3.908 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)[N-]C(=O)c1cccs1 ZINC000731268424 861545677 /nfs/dbraw/zinc/54/56/77/861545677.db2.gz GTPNNMVGYJROPA-SJORKVTESA-N -1 3 379.437 3.505 20 0 GHADHM Cc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)c(OCCCC(C)C)c1 ZINC000152262053 845264993 /nfs/dbraw/zinc/26/49/93/845264993.db2.gz FMWHKZSDCJNRCF-UHFFFAOYSA-N -1 3 399.535 3.759 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1c(F)cccc1OC(C)C ZINC001211783552 845458308 /nfs/dbraw/zinc/45/83/08/845458308.db2.gz SNUKHDZECRRTOI-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM COC1CCC(C)(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000472037656 845528925 /nfs/dbraw/zinc/52/89/25/845528925.db2.gz JKMYINHSUCNHAE-UHFFFAOYSA-N -1 3 385.302 3.549 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000430020317 845595714 /nfs/dbraw/zinc/59/57/14/845595714.db2.gz OKOIMDIOJACPSI-RBUKOAKNSA-N -1 3 399.443 3.600 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)cc2cccnc21 ZINC000047704853 845633777 /nfs/dbraw/zinc/63/37/77/845633777.db2.gz QWOBRINASRQJGA-UHFFFAOYSA-N -1 3 395.846 3.741 20 0 GHADHM CCc1nc(C)c(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)o1 ZINC000657283186 845663562 /nfs/dbraw/zinc/66/35/62/845663562.db2.gz ATURTQMRUCZKSA-UHFFFAOYSA-N -1 3 381.461 3.731 20 0 GHADHM O=c1[n-]c(SCc2nnc(C3CC3)s2)nc2c1cnn2Cc1ccccc1 ZINC000657284320 845676540 /nfs/dbraw/zinc/67/65/40/845676540.db2.gz OKWZNBGRHCBOEZ-UHFFFAOYSA-N -1 3 396.501 3.601 20 0 GHADHM Cc1sc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)[O-] ZINC000563206072 845895387 /nfs/dbraw/zinc/89/53/87/845895387.db2.gz IKSPXJREJBHGNE-UHFFFAOYSA-N -1 3 399.438 3.881 20 0 GHADHM Cc1noc(C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)n1 ZINC000157372157 845939643 /nfs/dbraw/zinc/93/96/43/845939643.db2.gz VGDXCUKKFIVMJD-UHFFFAOYSA-N -1 3 379.416 3.896 20 0 GHADHM Cc1ccc(C(=O)N2CC(C)C2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000513677496 846223461 /nfs/dbraw/zinc/22/34/61/846223461.db2.gz XONZOIHRZAEKEL-UHFFFAOYSA-N -1 3 396.871 3.680 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1nc(NCc2ccco2)ncc1Cl ZINC000731457252 861653197 /nfs/dbraw/zinc/65/31/97/861653197.db2.gz LQYHBGGRNHPXIX-UHFFFAOYSA-N -1 3 379.203 3.946 20 0 GHADHM COC(=O)c1[n-]c(=NCc2cccc(NC(=O)c3ccc(C)cc3)c2)sc1C ZINC000434079939 846246737 /nfs/dbraw/zinc/24/67/37/846246737.db2.gz GPSDPRUSTDRISP-UHFFFAOYSA-N -1 3 395.484 3.833 20 0 GHADHM CN(C)CCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1CCCC1 ZINC000481552974 861662408 /nfs/dbraw/zinc/66/24/08/861662408.db2.gz QKZBNFQXSOAQNY-UHFFFAOYSA-N -1 3 393.944 3.619 20 0 GHADHM O=C(COc1cccc2ccccc21)N=c1cc2ccc(Br)cn2[n-]1 ZINC000513751971 846387955 /nfs/dbraw/zinc/38/79/55/846387955.db2.gz MBOZUCYBWNSBBG-UHFFFAOYSA-N -1 3 396.244 3.689 20 0 GHADHM O=C(NCc1nc(-c2cc3ccccc3o2)cs1)NCc1ncccc1[O-] ZINC000472180282 846471973 /nfs/dbraw/zinc/47/19/73/846471973.db2.gz DLFFTNCGYMZHMY-UHFFFAOYSA-N -1 3 380.429 3.656 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ccc(F)cc3F)[n-]c(=O)c21 ZINC000502839413 846509445 /nfs/dbraw/zinc/50/94/45/846509445.db2.gz FUCJVVGRCBMXCA-SECBINFHSA-N -1 3 391.399 3.957 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([O-])ccc1Cl ZINC000501014716 846550266 /nfs/dbraw/zinc/55/02/66/846550266.db2.gz MBFXYVQCBKNUPU-CQSZACIVSA-N -1 3 398.768 3.600 20 0 GHADHM COC(=O)c1ccc([C@H](NC(=O)c2cc([O-])ccc2Cl)C(F)(F)F)cc1 ZINC000501081571 846624582 /nfs/dbraw/zinc/62/45/82/846624582.db2.gz ANCLGBZQTRLRNH-AWEZNQCLSA-N -1 3 387.741 3.866 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600355744 861700400 /nfs/dbraw/zinc/70/04/00/861700400.db2.gz JOPYCUJMNCPVGM-IAQYHMDHSA-N -1 3 387.398 3.851 20 0 GHADHM O=C([N-]OCc1ccccc1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000731541623 861704789 /nfs/dbraw/zinc/70/47/89/861704789.db2.gz JQDLGWMQAWAWBH-UHFFFAOYSA-N -1 3 379.344 3.871 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1ccc(C)c(C)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000422036711 846766589 /nfs/dbraw/zinc/76/65/89/846766589.db2.gz JBLVZCBLOIWZKA-AWEZNQCLSA-N -1 3 393.842 3.563 20 0 GHADHM CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2s1 ZINC000503150920 846844047 /nfs/dbraw/zinc/84/40/47/846844047.db2.gz ILGZWWNVDMMHOU-UHFFFAOYSA-N -1 3 398.423 3.698 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)c3cc(F)ccc3C)c2)n1 ZINC000513716161 846980363 /nfs/dbraw/zinc/98/03/63/846980363.db2.gz XWHROOJSAXSCHP-UHFFFAOYSA-N -1 3 379.391 3.681 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCCC[C@H]3CCCC[C@@H]3O)cc2)cc(=O)[n-]1 ZINC000431391736 846995582 /nfs/dbraw/zinc/99/55/82/846995582.db2.gz WLXSQSWACAOANU-APWZRJJASA-N -1 3 384.480 3.610 20 0 GHADHM CCOc1ccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OCC ZINC000501725693 847134039 /nfs/dbraw/zinc/13/40/39/847134039.db2.gz DXYVNPRDXYQPSF-AWEZNQCLSA-N -1 3 380.444 3.817 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCCC(F)(F)F ZINC000272672512 847141108 /nfs/dbraw/zinc/14/11/08/847141108.db2.gz LDMSTMRUSXVLIY-KRWDZBQOSA-N -1 3 394.393 3.712 20 0 GHADHM CC(C)COC[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccco1 ZINC000731624380 861768180 /nfs/dbraw/zinc/76/81/80/861768180.db2.gz FJEWRQNANJUALR-MRXNPFEDSA-N -1 3 381.375 3.594 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273608409 847383958 /nfs/dbraw/zinc/38/39/58/847383958.db2.gz OVSYPRLBTADLDR-QFBILLFUSA-N -1 3 376.403 3.732 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccco1 ZINC000420686817 847389141 /nfs/dbraw/zinc/38/91/41/847389141.db2.gz KJYRNWXJNCUMLW-NSHDSACASA-N -1 3 395.811 3.591 20 0 GHADHM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000673809125 861791157 /nfs/dbraw/zinc/79/11/57/861791157.db2.gz LXPHFXGIEPRYLK-UHFFFAOYSA-N -1 3 396.487 3.951 20 0 GHADHM CCOC(=O)c1c([N-]C(=O)c2ncc(F)cc2F)sc2c1CCSC2 ZINC000192081844 861804377 /nfs/dbraw/zinc/80/43/77/861804377.db2.gz VEWPVZWYZCUPOL-UHFFFAOYSA-N -1 3 384.429 3.640 20 0 GHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503320117 847597030 /nfs/dbraw/zinc/59/70/30/847597030.db2.gz VOCYTCWJRVTFHI-QGZVFWFLSA-N -1 3 395.912 3.576 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000502197870 847599081 /nfs/dbraw/zinc/59/90/81/847599081.db2.gz UWRFRNOMIKJBES-HOTGVXAUSA-N -1 3 379.503 3.539 20 0 GHADHM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cc(F)cc2n[n-]nc21 ZINC000503325023 847605452 /nfs/dbraw/zinc/60/54/52/847605452.db2.gz RSQJHJXEUZRFBR-UHFFFAOYSA-N -1 3 378.329 3.577 20 0 GHADHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2csc3ccccc32)no1 ZINC000509966210 847652802 /nfs/dbraw/zinc/65/28/02/847652802.db2.gz FKINHKSUUOZAOF-UHFFFAOYSA-N -1 3 380.491 3.683 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1Cl ZINC000481597876 861818076 /nfs/dbraw/zinc/81/80/76/861818076.db2.gz LDIKYJWREHVHMG-MDZLAQPJSA-N -1 3 390.908 3.788 20 0 GHADHM CC(C)(C)c1ccc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)s1 ZINC000414669240 847688746 /nfs/dbraw/zinc/68/87/46/847688746.db2.gz XXGUIPJVBAWAHI-AEFFLSMTSA-N -1 3 386.517 3.562 20 0 GHADHM CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000157443280 861819360 /nfs/dbraw/zinc/81/93/60/861819360.db2.gz SXWAXVAAVZDDDV-INIZCTEOSA-N -1 3 382.460 3.563 20 0 GHADHM O=C(Nc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)c1cccs1 ZINC000503451278 847701988 /nfs/dbraw/zinc/70/19/88/847701988.db2.gz AJJCDVXKJIAWNE-UHFFFAOYSA-N -1 3 381.392 3.663 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000503474884 847733400 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O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCCC[C@@H]1C(F)F ZINC000505441878 851317557 /nfs/dbraw/zinc/31/75/57/851317557.db2.gz JFJOODDVHUARRS-LLVKDONJSA-N -1 3 390.308 3.687 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOc3c(F)c(F)ccc32)s1 ZINC000910672643 851318157 /nfs/dbraw/zinc/31/81/57/851318157.db2.gz VKLZQQXSMUHOBK-UHFFFAOYSA-N -1 3 397.403 3.808 20 0 GHADHM CCCCCCN(C)CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910710394 851323492 /nfs/dbraw/zinc/32/34/92/851323492.db2.gz NAESBFDDYYJIFL-QGZVFWFLSA-N -1 3 399.329 3.545 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(F)cc2)[nH][n-]1 ZINC000550063648 851335951 /nfs/dbraw/zinc/33/59/51/851335951.db2.gz MTCZNLSQUKITSR-NSHDSACASA-N -1 3 389.814 3.706 20 0 GHADHM CC[C@H](C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000110960541 851455995 /nfs/dbraw/zinc/45/59/95/851455995.db2.gz YVATXASQECNUCH-AWEZNQCLSA-N -1 3 378.469 3.745 20 0 GHADHM Cc1ccsc1CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000515817406 851521287 /nfs/dbraw/zinc/52/12/87/851521287.db2.gz QNXHGMKGBUAIDY-UHFFFAOYSA-N -1 3 383.388 3.615 20 0 GHADHM CC(C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000732394205 862257625 /nfs/dbraw/zinc/25/76/25/862257625.db2.gz ZFSHYNJLNDZTHA-HNNXBMFYSA-N -1 3 383.231 3.914 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc(C)c(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000911133393 851586905 /nfs/dbraw/zinc/58/69/05/851586905.db2.gz YFBNSQRCNQCVNC-HXUWFJFHSA-N -1 3 384.476 3.515 20 0 GHADHM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911226942 851651612 /nfs/dbraw/zinc/65/16/12/851651612.db2.gz GZXQKVXDOQYMOD-QGZVFWFLSA-N -1 3 386.879 3.775 20 0 GHADHM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cc2c(s1)CCCCCC2 ZINC000911278621 851658806 /nfs/dbraw/zinc/65/88/06/851658806.db2.gz BQNKNZIUDZMNQS-KRWDZBQOSA-N -1 3 392.565 3.808 20 0 GHADHM C[C@H](c1ccc2ccccc2c1)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000911262499 851666361 /nfs/dbraw/zinc/66/63/61/851666361.db2.gz IPHKHZXGXIRKTQ-OXQOHEQNSA-N -1 3 380.488 3.688 20 0 GHADHM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1C ZINC000911290810 851669873 /nfs/dbraw/zinc/66/98/73/851669873.db2.gz NTALSEMYWUQAQN-OAHLLOKOSA-N -1 3 392.496 3.750 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(F)ccc1Cl ZINC000488671419 851686448 /nfs/dbraw/zinc/68/64/48/851686448.db2.gz SZUNAJAPSCZYNW-WBVHZDCISA-N -1 3 387.835 3.817 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911429282 851727543 /nfs/dbraw/zinc/72/75/43/851727543.db2.gz YZBMRDIDXFBZCP-OAHLLOKOSA-N -1 3 386.879 3.775 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000488819033 851796712 /nfs/dbraw/zinc/79/67/12/851796712.db2.gz CYGFJFHHZCDJLJ-AWEZNQCLSA-N -1 3 377.359 3.511 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)Cc3ccc(OC)cc3)nc2)n1 ZINC000555964223 862286588 /nfs/dbraw/zinc/28/65/88/862286588.db2.gz CFSQFRYMLIHQCW-OAHLLOKOSA-N -1 3 378.476 3.528 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(I)c1 ZINC000517411264 851936482 /nfs/dbraw/zinc/93/64/82/851936482.db2.gz YVUYDNVRHZHMPH-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)c2nc3ccc(Cl)cc3s2)c(=O)[n-]1 ZINC000436453935 851937601 /nfs/dbraw/zinc/93/76/01/851937601.db2.gz PYKPENYEDCKGAV-UHFFFAOYSA-N -1 3 376.869 3.658 20 0 GHADHM Cc1ccccc1-n1ncc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C(F)F ZINC000911922563 851954183 /nfs/dbraw/zinc/95/41/83/851954183.db2.gz GVUBARXUGQYBAA-UHFFFAOYSA-N -1 3 385.374 3.744 20 0 GHADHM CSc1ccc(-c2nsc([N-]C(=O)c3cnc(C(F)(F)F)nc3)n2)cc1 ZINC000489083958 851990253 /nfs/dbraw/zinc/99/02/53/851990253.db2.gz OJQUBNXXYQBUMH-UHFFFAOYSA-N -1 3 397.407 3.988 20 0 GHADHM COC(=O)[C@@H](C)CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436548265 852035504 /nfs/dbraw/zinc/03/55/04/852035504.db2.gz ZXCCVCLIFSXIMM-INIZCTEOSA-N -1 3 381.472 3.591 20 0 GHADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436553419 852041703 /nfs/dbraw/zinc/04/17/03/852041703.db2.gz BYDYQXBRVDGQNF-CQSZACIVSA-N -1 3 394.393 3.799 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000180748606 862313930 /nfs/dbraw/zinc/31/39/30/862313930.db2.gz WVRCWMXCYAVCOK-GOEBONIOSA-N -1 3 391.798 3.566 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000187913756 852065056 /nfs/dbraw/zinc/06/50/56/852065056.db2.gz BFZNCZURIRYNHC-UHFFFAOYSA-N -1 3 395.484 3.656 20 0 GHADHM Cc1ncsc1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000732500601 862316597 /nfs/dbraw/zinc/31/65/97/862316597.db2.gz BKECMZRUJWOOEK-UHFFFAOYSA-N -1 3 378.251 3.961 20 0 GHADHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436589895 852096158 /nfs/dbraw/zinc/09/61/58/852096158.db2.gz QMEIKBIXGMZYSQ-BBXQPJIDSA-N -1 3 387.501 3.994 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1cccc(Cl)c1Cl ZINC000625548066 862321384 /nfs/dbraw/zinc/32/13/84/862321384.db2.gz AWHPQLVKCJMMTP-SECBINFHSA-N -1 3 386.247 3.531 20 0 GHADHM CC[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1ccccc1Cl ZINC000436666607 852164506 /nfs/dbraw/zinc/16/45/06/852164506.db2.gz UQPSVKINMCQPCF-CYBMUJFWSA-N -1 3 379.840 3.650 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000436671790 852170679 /nfs/dbraw/zinc/17/06/79/852170679.db2.gz AUWKGAHAFGFWGA-UHFFFAOYSA-N -1 3 391.265 3.530 20 0 GHADHM CCC1CCC(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CC1 ZINC000436672239 852172604 /nfs/dbraw/zinc/17/26/04/852172604.db2.gz MMLFSOLHWHFQIV-UHFFFAOYSA-N -1 3 385.464 3.887 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOc2cc(O)ccc2C1 ZINC000436658176 852176334 /nfs/dbraw/zinc/17/63/34/852176334.db2.gz YBSOZBCOBZPUQG-UHFFFAOYSA-N -1 3 377.396 3.925 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436682009 852189511 /nfs/dbraw/zinc/18/95/11/852189511.db2.gz OOFPOAKKMWRRNS-MRXNPFEDSA-N -1 3 398.478 3.521 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000436686399 852196981 /nfs/dbraw/zinc/19/69/81/852196981.db2.gz HAXSUVPUSNEISA-UHFFFAOYSA-N -1 3 381.863 3.552 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(Cc3cccc4ccccc43)no2)c([O-])c1 ZINC000436686605 852196994 /nfs/dbraw/zinc/19/69/94/852196994.db2.gz FKWDZOYYDPXCKQ-UHFFFAOYSA-N -1 3 387.439 3.800 20 0 GHADHM CC(C)c1nnc(CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)o1 ZINC000473827828 852197222 /nfs/dbraw/zinc/19/72/22/852197222.db2.gz VRDSZZAPZNAXLY-UHFFFAOYSA-N -1 3 394.262 3.883 20 0 GHADHM COc1cc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)cc(OC)c1[O-] ZINC000436687300 852197564 /nfs/dbraw/zinc/19/75/64/852197564.db2.gz HDGGJEGFKONAIO-UHFFFAOYSA-N -1 3 392.371 3.709 20 0 GHADHM COc1cccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)c1[O-] ZINC000436690973 852200580 /nfs/dbraw/zinc/20/05/80/852200580.db2.gz WLKYFFIECFURIP-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436695600 852210223 /nfs/dbraw/zinc/21/02/23/852210223.db2.gz FYYAEEHIBJONRM-HXUWFJFHSA-N -1 3 394.515 3.752 20 0 GHADHM O=C(N[C@@H](CC(=O)N1CCC[C@@H]1C(F)F)c1ccccc1)c1ccc([O-])cc1 ZINC000436698417 852214521 /nfs/dbraw/zinc/21/45/21/852214521.db2.gz NVLGWBMNVFBYJN-ZWKOTPCHSA-N -1 3 388.414 3.510 20 0 GHADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000436712110 852232909 /nfs/dbraw/zinc/23/29/09/852232909.db2.gz MKIXUNUXGLSHPM-UHFFFAOYSA-N -1 3 390.365 3.920 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000436716976 852239642 /nfs/dbraw/zinc/23/96/42/852239642.db2.gz UXHOZOCBLIWWCG-DNVCBOLYSA-N -1 3 382.460 3.813 20 0 GHADHM O=C(NCc1cc(Cl)sc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436717923 852241599 /nfs/dbraw/zinc/24/15/99/852241599.db2.gz INMJQBNYAMHZTE-LBPRGKRZSA-N -1 3 399.299 3.682 20 0 GHADHM Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c([O-])c1 ZINC000436719237 852244504 /nfs/dbraw/zinc/24/45/04/852244504.db2.gz YZUCICJOKQFVHS-UHFFFAOYSA-N -1 3 390.277 3.899 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c([O-])c1 ZINC000180779422 862336105 /nfs/dbraw/zinc/33/61/05/862336105.db2.gz GZBZNWSKPJQPJM-UHFFFAOYSA-N -1 3 391.427 3.884 20 0 GHADHM COc1cc(NC(=O)c2cccc(C)c2[O-])c(C(=O)N2CCCCC2)cc1OC ZINC000436759608 852279204 /nfs/dbraw/zinc/27/92/04/852279204.db2.gz CKEJFAPZYJINRV-UHFFFAOYSA-N -1 3 398.459 3.596 20 0 GHADHM CSCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nnc2ccccn21 ZINC000436755233 852303703 /nfs/dbraw/zinc/30/37/03/852303703.db2.gz MLSHJJSMPXMZTI-INIZCTEOSA-N -1 3 384.505 3.783 20 0 GHADHM CN(C)C(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436756378 852304379 /nfs/dbraw/zinc/30/43/79/852304379.db2.gz CRYYQMTVFFULFV-UHFFFAOYSA-N -1 3 388.467 3.615 20 0 GHADHM COc1ccc2nc(CN[C@H](Cc3c(F)cccc3Cl)C(=O)[O-])sc2c1 ZINC000426725533 852310288 /nfs/dbraw/zinc/31/02/88/852310288.db2.gz ZQIWUELMDNZPAD-OAHLLOKOSA-N -1 3 394.855 3.883 20 0 GHADHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccncc1 ZINC000426706813 852311919 /nfs/dbraw/zinc/31/19/19/852311919.db2.gz XGAYGBLCNKDVLE-UHFFFAOYSA-N -1 3 378.428 3.657 20 0 GHADHM C[C@H](CCC1CCCCC1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436768049 852323535 /nfs/dbraw/zinc/32/35/35/852323535.db2.gz HOKYHSDRTIVZGC-QGZVFWFLSA-N -1 3 387.524 3.609 20 0 GHADHM CO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cnn(C)c1 ZINC000436770024 852326655 /nfs/dbraw/zinc/32/66/55/852326655.db2.gz KZAWGSJXDSOIBD-SFHVURJKSA-N -1 3 394.456 3.729 20 0 GHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(OC)cc3c2O[C@@H](C)C3)cc1 ZINC000426734902 852331186 /nfs/dbraw/zinc/33/11/86/852331186.db2.gz BWBVCYVSDWYDKJ-XOBRGWDASA-N -1 3 385.460 3.723 20 0 GHADHM Cc1ccc(CN[C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])nc1 ZINC000426737046 852333670 /nfs/dbraw/zinc/33/36/70/852333670.db2.gz LHTPRNQHKXWMTG-QGZVFWFLSA-N -1 3 387.892 3.952 20 0 GHADHM CC(C)[C@@H]1C[C@@H](CC(=O)NCCNC(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436794636 852352963 /nfs/dbraw/zinc/35/29/63/852352963.db2.gz WAIWEFALDDBFNS-UWJYYQICSA-N -1 3 380.488 3.555 20 0 GHADHM CCCN(C(=O)c1ccc(CC)cc1[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000436815328 852356736 /nfs/dbraw/zinc/35/67/36/852356736.db2.gz LAOSVUBRGFIGGQ-UHFFFAOYSA-N -1 3 396.535 3.883 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCCC(F)(F)F)c1 ZINC000436820082 852359753 /nfs/dbraw/zinc/35/97/53/852359753.db2.gz FYBOMXDXAAKYMU-JTQLQIEISA-N -1 3 399.369 3.792 20 0 GHADHM Cn1nnc2cc(CN[C@H](CC(=O)[O-])c3cc(Cl)cc(Cl)c3)ccc21 ZINC000426759846 852366486 /nfs/dbraw/zinc/36/64/86/852366486.db2.gz XULOIGSCDWMSHS-CQSZACIVSA-N -1 3 379.247 3.581 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1[O-] ZINC000436834696 852385144 /nfs/dbraw/zinc/38/51/44/852385144.db2.gz QQHBGOGIJLYSDM-UHFFFAOYSA-N -1 3 397.452 3.627 20 0 GHADHM Cc1cc([C@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])ccc1Cl ZINC000426779431 852385544 /nfs/dbraw/zinc/38/55/44/852385544.db2.gz HVMGTRVVGVSLEY-INIZCTEOSA-N -1 3 382.243 3.989 20 0 GHADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)c([O-])c1 ZINC000436822085 852390173 /nfs/dbraw/zinc/39/01/73/852390173.db2.gz RLEAZYLPGKUWNE-GOSISDBHSA-N -1 3 384.501 3.725 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@@H]1CCCCS1 ZINC000436826997 852396487 /nfs/dbraw/zinc/39/64/87/852396487.db2.gz CIQBNSIHKJLZOE-VQTJNVASSA-N -1 3 398.528 3.655 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1[O-] ZINC000436855884 852401993 /nfs/dbraw/zinc/40/19/93/852401993.db2.gz KXIHNFYNDAWNMK-UHFFFAOYSA-N -1 3 388.467 3.706 20 0 GHADHM CC(=O)NC1CCC(N(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436840626 852406013 /nfs/dbraw/zinc/40/60/13/852406013.db2.gz PZXXCZYLVHXBFQ-UHFFFAOYSA-N -1 3 382.460 3.704 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000426797632 852407862 /nfs/dbraw/zinc/40/78/62/852407862.db2.gz BOYKKAHOEHASCC-INIZCTEOSA-N -1 3 379.840 3.671 20 0 GHADHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436842968 852408088 /nfs/dbraw/zinc/40/80/88/852408088.db2.gz YKJWZFCYQZTGRD-VHFSOBRXSA-N -1 3 381.428 3.598 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccncc1 ZINC000426808889 852418732 /nfs/dbraw/zinc/41/87/32/852418732.db2.gz SYQBDTKUIFNNHB-OAQYLSRUSA-N -1 3 378.428 3.585 20 0 GHADHM CSc1nc(C(=O)Nc2ccc(Br)cc2[O-])c2ccccn12 ZINC000516319160 852419329 /nfs/dbraw/zinc/41/93/29/852419329.db2.gz NYGXYWXBWMUYJL-UHFFFAOYSA-N -1 3 378.251 3.777 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000489536228 852427180 /nfs/dbraw/zinc/42/71/80/852427180.db2.gz RLNRUMTYBJWKCZ-UHFFFAOYSA-N -1 3 380.460 3.978 20 0 GHADHM COc1ccc([C@@H](NCc2ccc(OC(C)C)c(OC)c2)C(=O)[O-])cc1F ZINC000426821518 852433078 /nfs/dbraw/zinc/43/30/78/852433078.db2.gz UBCGUFUFSYNFGL-LJQANCHMSA-N -1 3 377.412 3.546 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1[O-] ZINC000436872814 852437352 /nfs/dbraw/zinc/43/73/52/852437352.db2.gz XJRBDAGPDVSHIR-UHFFFAOYSA-N -1 3 385.470 3.991 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1F ZINC000489550804 852437552 /nfs/dbraw/zinc/43/75/52/852437552.db2.gz NKDCHKGJZDESAA-UHFFFAOYSA-N -1 3 381.404 3.705 20 0 GHADHM Cc1ccc(NC(=O)c2cc(F)cc(Br)c2[O-])c(CN(C)C)c1 ZINC000436889646 852462758 /nfs/dbraw/zinc/46/27/58/852462758.db2.gz WUDCSZIZCXITGU-UHFFFAOYSA-N -1 3 381.245 3.916 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911185 852476351 /nfs/dbraw/zinc/47/63/51/852476351.db2.gz FDHCORRRTLUUCF-SFTDATJTSA-N -1 3 380.488 3.900 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CC)CC(F)(F)F)c1 ZINC000489637318 852501154 /nfs/dbraw/zinc/50/11/54/852501154.db2.gz ZRUKBTWTEOWIHT-LLVKDONJSA-N -1 3 387.807 3.526 20 0 GHADHM O=C(Nc1ccc(Cl)cc1F)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436921224 852501382 /nfs/dbraw/zinc/50/13/82/852501382.db2.gz VKEOYNPSZZXPGT-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000436923189 852504602 /nfs/dbraw/zinc/50/46/02/852504602.db2.gz SCVYFFKGCSVWNH-OAQYLSRUSA-N -1 3 388.467 3.672 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1[O-] ZINC000436925245 852506290 /nfs/dbraw/zinc/50/62/90/852506290.db2.gz IDVNZRXPLPJPCL-UHFFFAOYSA-N -1 3 392.440 3.962 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1[O-] ZINC000436932496 852515450 /nfs/dbraw/zinc/51/54/50/852515450.db2.gz CVIRMFSVUGLBGQ-UHFFFAOYSA-N -1 3 381.388 3.568 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)s1 ZINC000912705325 852522691 /nfs/dbraw/zinc/52/26/91/852522691.db2.gz OXQXJQGADGETEX-CQSZACIVSA-N -1 3 389.477 3.784 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)c1 ZINC000436962242 852532813 /nfs/dbraw/zinc/53/28/13/852532813.db2.gz NJQUSQQDPYDTJS-QAPCUYQASA-N -1 3 385.464 3.886 20 0 GHADHM CC[C@H]1[C@@H](C)CCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436955300 852544585 /nfs/dbraw/zinc/54/45/85/852544585.db2.gz DGURMVXBDXZERP-BBRMVZONSA-N -1 3 387.505 3.599 20 0 GHADHM CC(C)c1ccc(-c2nc(Cc3nc(-c4ccccc4)nn3C)no2)c([O-])c1 ZINC000436958531 852550303 /nfs/dbraw/zinc/55/03/03/852550303.db2.gz IEYXTJGNIFOJAE-UHFFFAOYSA-N -1 3 375.432 3.952 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCCC[C@H]2C)c1 ZINC000436961275 852550906 /nfs/dbraw/zinc/55/09/06/852550906.db2.gz GRDMIQHDZPOYLH-UKRRQHHQSA-N -1 3 385.464 3.887 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 ZINC000489731812 852555783 /nfs/dbraw/zinc/55/57/83/852555783.db2.gz VXLQKHUMGIZUSG-UHFFFAOYSA-N -1 3 390.440 3.516 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC000437007394 852602719 /nfs/dbraw/zinc/60/27/19/852602719.db2.gz VAVLTQAEUUKWQD-INIZCTEOSA-N -1 3 376.859 3.751 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C)(C(C)C)CC2)cc1OC ZINC000426081173 852614000 /nfs/dbraw/zinc/61/40/00/852614000.db2.gz UHRCGFZXQOTLCE-UHFFFAOYSA-N -1 3 397.541 3.747 20 0 GHADHM C[C@H]1CC(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C[C@H](C)O1 ZINC000489884758 852623654 /nfs/dbraw/zinc/62/36/54/852623654.db2.gz QHSZWEPEFAZTER-QWRGUYRKSA-N -1 3 399.406 3.596 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1 ZINC000481848825 862376288 /nfs/dbraw/zinc/37/62/88/862376288.db2.gz UGVXTZNYIZFIJY-HNNXBMFYSA-N -1 3 393.509 3.674 20 0 GHADHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000516481858 852626215 /nfs/dbraw/zinc/62/62/15/852626215.db2.gz SXYAYFGYZORFOU-CABCVRRESA-N -1 3 377.387 3.821 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000427064196 852667222 /nfs/dbraw/zinc/66/72/22/852667222.db2.gz JDEFAAVDRYUQMZ-UHFFFAOYSA-N -1 3 379.464 3.541 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427064196 852667230 /nfs/dbraw/zinc/66/72/30/852667230.db2.gz JDEFAAVDRYUQMZ-UHFFFAOYSA-N -1 3 379.464 3.541 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Br)c2c1OCCC2 ZINC000427063803 852668512 /nfs/dbraw/zinc/66/85/12/852668512.db2.gz ZDTNJMGOYHZRIP-UHFFFAOYSA-N -1 3 380.213 3.549 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427067491 852670872 /nfs/dbraw/zinc/67/08/72/852670872.db2.gz PJXPRVYVXLDNLP-LLVKDONJSA-N -1 3 390.274 3.915 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427067491 852670884 /nfs/dbraw/zinc/67/08/84/852670884.db2.gz PJXPRVYVXLDNLP-LLVKDONJSA-N -1 3 390.274 3.915 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427067492 852671047 /nfs/dbraw/zinc/67/10/47/852671047.db2.gz PJXPRVYVXLDNLP-NSHDSACASA-N -1 3 390.274 3.915 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427067492 852671061 /nfs/dbraw/zinc/67/10/61/852671061.db2.gz PJXPRVYVXLDNLP-NSHDSACASA-N -1 3 390.274 3.915 20 0 GHADHM COc1ccc([C@H](CNC(=O)c2c(F)ccc([O-])c2F)N2CCCCC2)cc1 ZINC000438787596 852854028 /nfs/dbraw/zinc/85/40/28/852854028.db2.gz FBGZGKKKDIQQQZ-KRWDZBQOSA-N -1 3 390.430 3.636 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000133116112 862403734 /nfs/dbraw/zinc/40/37/34/862403734.db2.gz AUZCLPCVSLZWIF-UHFFFAOYSA-N -1 3 390.212 3.614 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C)c(Br)c3)ccc2n1 ZINC000437323641 853000567 /nfs/dbraw/zinc/00/05/67/853000567.db2.gz NFEWBMSMQDFVGN-UHFFFAOYSA-N -1 3 380.267 3.514 20 0 GHADHM CO[C@H]1CC[C@@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000664872742 853042962 /nfs/dbraw/zinc/04/29/62/853042962.db2.gz LZXQFLIWXOHOOG-PWSUYJOCSA-N -1 3 390.241 3.567 20 0 GHADHM O=C(Nc1ccc(F)cc1)NC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507580718 853067163 /nfs/dbraw/zinc/06/71/63/853067163.db2.gz DQGAGOHTEWIFOV-UHFFFAOYSA-N -1 3 379.382 3.596 20 0 GHADHM O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000438899526 853076649 /nfs/dbraw/zinc/07/66/49/853076649.db2.gz YRSNAZZBIJEXCQ-CQSZACIVSA-N -1 3 399.497 3.821 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000490533832 853080218 /nfs/dbraw/zinc/08/02/18/853080218.db2.gz HOPOUCPJGNTMSA-UHFFFAOYSA-N -1 3 377.514 3.831 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c1 ZINC000490567604 853112395 /nfs/dbraw/zinc/11/23/95/853112395.db2.gz SMODINFBTVITBO-UHFFFAOYSA-N -1 3 389.459 3.843 20 0 GHADHM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)ccc1F ZINC000507619468 853113461 /nfs/dbraw/zinc/11/34/61/853113461.db2.gz HFERDKSTHOPKJM-UHFFFAOYSA-N -1 3 393.484 3.966 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1OCCc2sccc21 ZINC000490614978 853138174 /nfs/dbraw/zinc/13/81/74/853138174.db2.gz CXIURUCPUKIIGL-BJOHPYRUSA-N -1 3 375.874 3.521 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1ccn(-c2ccc(Br)cc2)n1 ZINC000490653732 853158880 /nfs/dbraw/zinc/15/88/80/853158880.db2.gz RIOLIYVCZAMHMO-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)c(C)c1C ZINC000438986652 853162992 /nfs/dbraw/zinc/16/29/92/853162992.db2.gz NJFYRGKWDRTOEC-UHFFFAOYSA-N -1 3 396.459 3.694 20 0 GHADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1ccccc1OC(F)(F)F ZINC000481877279 862436243 /nfs/dbraw/zinc/43/62/43/862436243.db2.gz WSXFDMBVEMGUHD-UHFFFAOYSA-N -1 3 393.770 3.974 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298740 853210045 /nfs/dbraw/zinc/21/00/45/853210045.db2.gz BUWFCVCDRKTPJY-HNNXBMFYSA-N -1 3 395.459 3.902 20 0 GHADHM CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298740 853210056 /nfs/dbraw/zinc/21/00/56/853210056.db2.gz BUWFCVCDRKTPJY-HNNXBMFYSA-N -1 3 395.459 3.902 20 0 GHADHM COc1nnc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)[n-]1 ZINC000490736152 853226221 /nfs/dbraw/zinc/22/62/21/853226221.db2.gz UEQLFRPMIJCRBD-UHFFFAOYSA-N -1 3 397.485 3.847 20 0 GHADHM COc1nc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)n[n-]1 ZINC000490736152 853226226 /nfs/dbraw/zinc/22/62/26/853226226.db2.gz UEQLFRPMIJCRBD-UHFFFAOYSA-N -1 3 397.485 3.847 20 0 GHADHM COc1n[n-]c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)n1 ZINC000490736152 853226230 /nfs/dbraw/zinc/22/62/30/853226230.db2.gz UEQLFRPMIJCRBD-UHFFFAOYSA-N -1 3 397.485 3.847 20 0 GHADHM COc1nnc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)[n-]1 ZINC000490748594 853235204 /nfs/dbraw/zinc/23/52/04/853235204.db2.gz YTMZENPATRNJHM-UHFFFAOYSA-N -1 3 380.301 3.891 20 0 GHADHM COc1nc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000490748594 853235209 /nfs/dbraw/zinc/23/52/09/853235209.db2.gz YTMZENPATRNJHM-UHFFFAOYSA-N -1 3 380.301 3.891 20 0 GHADHM COc1n[n-]c(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1 ZINC000490748594 853235216 /nfs/dbraw/zinc/23/52/16/853235216.db2.gz YTMZENPATRNJHM-UHFFFAOYSA-N -1 3 380.301 3.891 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(N4CCCC4=O)ccc3F)[nH][n-]2)c1 ZINC000439154231 853362448 /nfs/dbraw/zinc/36/24/48/853362448.db2.gz GUBJQLJYFXCVNT-UHFFFAOYSA-N -1 3 392.434 3.634 20 0 GHADHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000437689123 853419780 /nfs/dbraw/zinc/41/97/80/853419780.db2.gz AEAYMWRQMJBGRH-IFXJQAMLSA-N -1 3 399.434 3.859 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c1 ZINC000491131363 853467501 /nfs/dbraw/zinc/46/75/01/853467501.db2.gz CWORMBOHOYGRQW-UHFFFAOYSA-N -1 3 389.473 3.678 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)N[N-]C(=O)c2ccccc2Br)s1 ZINC000054731185 853509235 /nfs/dbraw/zinc/50/92/35/853509235.db2.gz VQKRJIVZMFNUTA-SNVBAGLBSA-N -1 3 382.283 3.524 20 0 GHADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Cl)c1 ZINC000586753906 853523471 /nfs/dbraw/zinc/52/34/71/853523471.db2.gz YUAARUGMFWBQTQ-UHFFFAOYSA-N -1 3 397.880 3.943 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cccnc2)c1)c1cccnc1C(F)(F)F ZINC000519846796 853540429 /nfs/dbraw/zinc/54/04/29/853540429.db2.gz JCTLYBFTIGTXOV-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM CCc1[nH]nc(Cl)c1CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000900040471 862479720 /nfs/dbraw/zinc/47/97/20/862479720.db2.gz FIIWUDXZSZWBCO-ZDUSSCGKSA-N -1 3 376.671 3.718 20 0 GHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437855818 853607684 /nfs/dbraw/zinc/60/76/84/853607684.db2.gz ZSSDHRCGMISMTB-PBHICJAKSA-N -1 3 397.541 3.889 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000440795740 853633325 /nfs/dbraw/zinc/63/33/25/853633325.db2.gz JRGNAXCHCJVSGD-NSHDSACASA-N -1 3 376.334 3.918 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)COc3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000519946810 853638279 /nfs/dbraw/zinc/63/82/79/853638279.db2.gz BZVQDHULCMDTDI-CYBMUJFWSA-N -1 3 396.422 3.886 20 0 GHADHM Cn1cc(-c2nc3ccccn3c2NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000486634289 862493315 /nfs/dbraw/zinc/49/33/15/862493315.db2.gz HBTYFCUGHVNGEP-UHFFFAOYSA-N -1 3 383.411 3.846 20 0 GHADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000519996807 853736471 /nfs/dbraw/zinc/73/64/71/853736471.db2.gz CSXBSZADUNRFGF-KRWDZBQOSA-N -1 3 395.406 3.844 20 0 GHADHM Cc1ccc(CN2C[C@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2=O)cc1 ZINC000440992113 853810290 /nfs/dbraw/zinc/81/02/90/853810290.db2.gz OPCAYLQUXHQJSD-CQSZACIVSA-N -1 3 392.377 3.707 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000055579390 854013748 /nfs/dbraw/zinc/01/37/48/854013748.db2.gz RMIAEDROOFVPQM-VAWYXSNFSA-N -1 3 386.502 3.687 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)c(Cl)c1 ZINC000055663521 854050668 /nfs/dbraw/zinc/05/06/68/854050668.db2.gz ZFNAQFGMCVKKTN-UHFFFAOYSA-N -1 3 382.844 3.715 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RMQOCQSCXHBEIX-UHFFFAOYSA-N -1 3 392.811 3.540 20 0 GHADHM CC[C@@H](Nc1ccccc1)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000605022191 862713904 /nfs/dbraw/zinc/71/39/04/862713904.db2.gz VSVUDTXQJHEWEB-MRXNPFEDSA-N -1 3 384.867 3.990 20 0 GHADHM CC(C)Cn1cc(CN[C@@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])cn1 ZINC000417638921 855773848 /nfs/dbraw/zinc/77/38/48/855773848.db2.gz KTCBRERDXXQCCI-SUMWQHHRSA-N -1 3 394.313 3.853 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)c(=O)[n-]1 ZINC000057233753 855826053 /nfs/dbraw/zinc/82/60/53/855826053.db2.gz OETNQIQXCGYKNG-UHFFFAOYSA-N -1 3 396.516 3.890 20 0 GHADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000591398800 855980427 /nfs/dbraw/zinc/98/04/27/855980427.db2.gz MYSRGEOGGAQPGP-UHFFFAOYSA-N -1 3 376.906 3.754 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCc4ccccc4N3)cc2)cc(=O)[n-]1 ZINC000591399766 855981797 /nfs/dbraw/zinc/98/17/97/855981797.db2.gz IPTNKVISQFFZHS-GOSISDBHSA-N -1 3 389.459 3.706 20 0 GHADHM COCCCOc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485112311 856124351 /nfs/dbraw/zinc/12/43/51/856124351.db2.gz FOKVRVMACBRYQT-UHFFFAOYSA-N -1 3 392.415 3.886 20 0 GHADHM COCCCOc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485112311 856124355 /nfs/dbraw/zinc/12/43/55/856124355.db2.gz FOKVRVMACBRYQT-UHFFFAOYSA-N -1 3 392.415 3.886 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncc(C)c(C)n3)c2)cc1 ZINC000485121264 856134846 /nfs/dbraw/zinc/13/48/46/856134846.db2.gz CQUNVQQXMCGKAJ-UHFFFAOYSA-N -1 3 398.488 3.515 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1Cl ZINC000032588340 856242387 /nfs/dbraw/zinc/24/23/87/856242387.db2.gz YNQQJPQMZDSGAQ-UHFFFAOYSA-N -1 3 382.869 3.744 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000427633895 856257827 /nfs/dbraw/zinc/25/78/27/856257827.db2.gz NRWYYXNYZHLGFX-UHFFFAOYSA-N -1 3 379.485 3.754 20 0 GHADHM CC(C)c1[nH]nc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1Br ZINC000520736907 856275231 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GHADHM Cc1ccc(-n2ncc(C(=O)N[N-]C(=O)c3ccccc3F)c2C(C)C)cc1 ZINC000046125019 856510892 /nfs/dbraw/zinc/51/08/92/856510892.db2.gz PAISFJCCLOCIBT-UHFFFAOYSA-N -1 3 380.423 3.518 20 0 GHADHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485432073 856511882 /nfs/dbraw/zinc/51/18/82/856511882.db2.gz BHGKZSBCQPXXDX-SNVBAGLBSA-N -1 3 392.702 3.995 20 0 GHADHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485432062 856512603 /nfs/dbraw/zinc/51/26/03/856512603.db2.gz BHGKZSBCQPXXDX-JTQLQIEISA-N -1 3 392.702 3.995 20 0 GHADHM CCn1cc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000905741111 856535100 /nfs/dbraw/zinc/53/51/00/856535100.db2.gz YHYPOBFPFFXZQE-UHFFFAOYSA-N -1 3 381.398 3.799 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1)C(=O)[O-] ZINC000905774585 856583405 /nfs/dbraw/zinc/58/34/05/856583405.db2.gz JFDAZHKWVCYYNY-UZUQRXQVSA-N -1 3 379.456 3.979 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043807436 856584256 /nfs/dbraw/zinc/58/42/56/856584256.db2.gz DKQMQOCSTMPDPY-LLVKDONJSA-N -1 3 376.338 3.897 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043807436 856584263 /nfs/dbraw/zinc/58/42/63/856584263.db2.gz DKQMQOCSTMPDPY-LLVKDONJSA-N -1 3 376.338 3.897 20 0 GHADHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000157656427 856596945 /nfs/dbraw/zinc/59/69/45/856596945.db2.gz UDYGKBFPJSOAIO-OAHLLOKOSA-N -1 3 381.403 3.733 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(c2cncc3ccccc32)CC1 ZINC000507886336 856627474 /nfs/dbraw/zinc/62/74/74/856627474.db2.gz BROTZRIBSLVAAY-UHFFFAOYSA-N -1 3 393.462 3.751 20 0 GHADHM C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)c2cccc(Br)n2)C1(C)C ZINC001212440185 856638115 /nfs/dbraw/zinc/63/81/15/856638115.db2.gz CRUJFKHNRJVPIM-NHYWBVRUSA-N -1 3 375.332 3.585 20 0 GHADHM COc1ccc(Br)cc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436910051 856681323 /nfs/dbraw/zinc/68/13/23/856681323.db2.gz BSADULXPTOAJOY-UHFFFAOYSA-N -1 3 391.177 3.609 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1 ZINC000668505939 856690556 /nfs/dbraw/zinc/69/05/56/856690556.db2.gz BTYNXTBWUCPMAY-IBGZPJMESA-N -1 3 390.549 3.757 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)nn3)cc2)cc1 ZINC000733252223 862826178 /nfs/dbraw/zinc/82/61/78/862826178.db2.gz IVAYJGJLFCQXPL-UHFFFAOYSA-N -1 3 391.836 3.732 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1OCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000427809529 856753914 /nfs/dbraw/zinc/75/39/14/856753914.db2.gz VAGWMUYERGUFQO-IRXDYDNUSA-N -1 3 385.407 3.520 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234388 862838049 /nfs/dbraw/zinc/83/80/49/862838049.db2.gz XKVKMQYJLCVYCG-ZFWWWQNUSA-N -1 3 399.292 3.929 20 0 GHADHM Cc1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1Br ZINC000436940418 856813010 /nfs/dbraw/zinc/81/30/10/856813010.db2.gz WWOWVBCEQBZERE-UHFFFAOYSA-N -1 3 375.178 3.909 20 0 GHADHM O=c1cc(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)nc(C2CC2)[n-]1 ZINC000906099721 856814971 /nfs/dbraw/zinc/81/49/71/856814971.db2.gz SSMKKIUTDAWLQT-UHFFFAOYSA-N -1 3 378.310 3.599 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000482244430 862846889 /nfs/dbraw/zinc/84/68/89/862846889.db2.gz NQQRYLLNJFBCFS-VHSXEESVSA-N -1 3 379.169 3.550 20 0 GHADHM COc1ccccc1OCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000508059493 856864521 /nfs/dbraw/zinc/86/45/21/856864521.db2.gz CPGNVOXPQJZFSH-UHFFFAOYSA-N -1 3 392.242 3.832 20 0 GHADHM C[C@@H](CSCCNCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000592461893 856879611 /nfs/dbraw/zinc/87/96/11/856879611.db2.gz OAICVNHWULTCLT-VIFPVBQESA-N -1 3 398.269 3.594 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(OC)c(C)c(OC)c2)c(C(=O)OCC)[n-]1 ZINC000485669908 856905127 /nfs/dbraw/zinc/90/51/27/856905127.db2.gz LEXLYPAYBJLNAM-UHFFFAOYSA-N -1 3 389.452 3.507 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(OC(F)F)c2)c(C(=O)OCC)[n-]1 ZINC000485664795 856924069 /nfs/dbraw/zinc/92/40/69/856924069.db2.gz CYWUTWGSXJZYDK-UHFFFAOYSA-N -1 3 381.379 3.783 20 0 GHADHM CCCCc1nc(NC(=O)c2nn(-c3ccccc3)cc2C)c(C(=O)OCC)[n-]1 ZINC000485705329 856956638 /nfs/dbraw/zinc/95/66/38/856956638.db2.gz OKFGGSAFKZNWFY-UHFFFAOYSA-N -1 3 395.463 3.675 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)CCCc3ccccc3)cc2n(C)c1=O ZINC000428002971 856970720 /nfs/dbraw/zinc/97/07/20/856970720.db2.gz ATRKNLYGYQVAKV-UHFFFAOYSA-N -1 3 381.476 3.570 20 0 GHADHM O=S(=O)([N-]CC1(CCOCc2ccccc2)CC1)c1cnc(Cl)c(F)c1 ZINC000702925589 857028339 /nfs/dbraw/zinc/02/83/39/857028339.db2.gz LCQSZPISBJVPLH-UHFFFAOYSA-N -1 3 398.887 3.540 20 0 GHADHM COCc1ccc(OC)c(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000508194987 857053496 /nfs/dbraw/zinc/05/34/96/857053496.db2.gz MPZHOFFCBIMSEC-MRXNPFEDSA-N -1 3 395.443 3.631 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000592819194 857101017 /nfs/dbraw/zinc/10/10/17/857101017.db2.gz AXELCOYVRUTXQP-UHFFFAOYSA-N -1 3 385.816 3.778 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1ccc(Br)s1 ZINC000592820496 857101689 /nfs/dbraw/zinc/10/16/89/857101689.db2.gz RBDWCLKIPNXITN-LLVKDONJSA-N -1 3 376.272 3.616 20 0 GHADHM CN(Cc1csc(Br)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000057311042 857187292 /nfs/dbraw/zinc/18/72/92/857187292.db2.gz HRQYCZOZVQIIQZ-UHFFFAOYSA-N -1 3 377.263 3.624 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000569195585 857188314 /nfs/dbraw/zinc/18/83/14/857188314.db2.gz LXFZEMGGJCRTRV-KBMXLJTQSA-N -1 3 391.899 3.594 20 0 GHADHM CC(=O)c1ncc(C(=O)[N-]c2cc(Br)cc3nc(C)oc32)s1 ZINC001128193610 857196074 /nfs/dbraw/zinc/19/60/74/857196074.db2.gz OHFRSKCKNGHMJJ-UHFFFAOYSA-N -1 3 380.223 3.810 20 0 GHADHM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000733361211 862889887 /nfs/dbraw/zinc/88/98/87/862889887.db2.gz UTMFJPTWTKKBKK-UHFFFAOYSA-N -1 3 381.342 3.966 20 0 GHADHM O=C(NCCc1cc2ccccc2o1)NCc1ccc([O-])c(Br)c1 ZINC000486099106 857426280 /nfs/dbraw/zinc/42/62/80/857426280.db2.gz XHFKJCHRBSVNMW-UHFFFAOYSA-N -1 3 389.249 3.943 20 0 GHADHM Cc1csc(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000593303531 857462833 /nfs/dbraw/zinc/46/28/33/857462833.db2.gz TYYWWGBGFUWVSZ-UHFFFAOYSA-N -1 3 399.950 3.749 20 0 GHADHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000486207698 857542935 /nfs/dbraw/zinc/54/29/35/857542935.db2.gz OQHVAJAOQUJJDV-GXTWGEPZSA-N -1 3 381.350 3.714 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(CN2CCCCC2=O)CC1 ZINC000521055826 857548378 /nfs/dbraw/zinc/54/83/78/857548378.db2.gz FKKPXHBSCOXVMS-GOSISDBHSA-N -1 3 398.425 3.556 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000907339126 857583354 /nfs/dbraw/zinc/58/33/54/857583354.db2.gz HGLRQXYTSMMSCU-LLVKDONJSA-N -1 3 394.294 3.861 20 0 GHADHM Cc1csc([C@@H](C)CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000907356000 857599325 /nfs/dbraw/zinc/59/93/25/857599325.db2.gz DPUFTZAWJMBNLE-VIFPVBQESA-N -1 3 382.511 3.789 20 0 GHADHM C[C@@H](CN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1nccs1 ZINC000907349016 857613093 /nfs/dbraw/zinc/61/30/93/857613093.db2.gz QZEQRHQVSFICIJ-JTQLQIEISA-N -1 3 382.511 3.822 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1c(F)cccc1F ZINC000064463868 857710532 /nfs/dbraw/zinc/71/05/32/857710532.db2.gz QHEFLWZIAQBCMI-UHFFFAOYSA-N -1 3 393.191 3.619 20 0 GHADHM Cc1cccc(CC2CN(C(=O)NCc3ccc([O-])c(Br)c3)C2)c1 ZINC000676026677 857713089 /nfs/dbraw/zinc/71/30/89/857713089.db2.gz KPKYFZBUUOVVIW-UHFFFAOYSA-N -1 3 389.293 3.847 20 0 GHADHM CC[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000733438044 862942392 /nfs/dbraw/zinc/94/23/92/862942392.db2.gz RWTSOSZHABDCJH-QGZVFWFLSA-N -1 3 377.437 3.575 20 0 GHADHM COc1ccccc1-c1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n[nH]1 ZINC000676133509 857747080 /nfs/dbraw/zinc/74/70/80/857747080.db2.gz VBZGUJFVNJSOPW-UHFFFAOYSA-N -1 3 392.390 3.627 20 0 GHADHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000064958038 857758856 /nfs/dbraw/zinc/75/88/56/857758856.db2.gz OLCIDBCASVQZHX-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1c[n-]c2ccccc2c1=O ZINC000065853007 857824418 /nfs/dbraw/zinc/82/44/18/857824418.db2.gz WJRSILSPYKMLHE-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486574870 857876932 /nfs/dbraw/zinc/87/69/32/857876932.db2.gz MGMMPWYWTDWKIA-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)c2ccccc2n1 ZINC001129211365 857881001 /nfs/dbraw/zinc/88/10/01/857881001.db2.gz KUQKBNQYAMTNDE-UHFFFAOYSA-N -1 3 387.395 3.505 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000486648461 857943432 /nfs/dbraw/zinc/94/34/32/857943432.db2.gz YBYTXSDTGUNEGW-DGKWVBSXSA-N -1 3 379.298 3.875 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000066852607 857975694 /nfs/dbraw/zinc/97/56/94/857975694.db2.gz ONDGHJAFRDUVNX-KDOFPFPSSA-N -1 3 375.428 3.631 20 0 GHADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145393 858004074 /nfs/dbraw/zinc/00/40/74/858004074.db2.gz DNPLQROGXWDBAE-MRXNPFEDSA-N -1 3 388.851 3.688 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]2CCC(C)C)cc1OC ZINC000486733097 858036594 /nfs/dbraw/zinc/03/65/94/858036594.db2.gz CHMSUFWOAXZOEC-INIZCTEOSA-N -1 3 397.541 3.889 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)[n-]1 ZINC000594352335 858101714 /nfs/dbraw/zinc/10/17/14/858101714.db2.gz XSKBWLYFTSPSBE-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)c[n-]1 ZINC000594352335 858101715 /nfs/dbraw/zinc/10/17/15/858101715.db2.gz XSKBWLYFTSPSBE-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Br)c1ccc(Cl)cc1F ZINC000521770480 858297622 /nfs/dbraw/zinc/29/76/22/858297622.db2.gz MXXSGBRRPTUAJD-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1sccc1C ZINC000443019567 858298164 /nfs/dbraw/zinc/29/81/64/858298164.db2.gz DDIOSZOSMHSYTN-UHFFFAOYSA-N -1 3 381.500 3.536 20 0 GHADHM O=S(=O)([N-]CCc1ccc2[nH]ccc2c1)c1ccc(Br)cc1F ZINC000443095824 858373872 /nfs/dbraw/zinc/37/38/72/858373872.db2.gz HFVKFPLCNWUGEY-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c([O-])c1 ZINC000191052421 858405798 /nfs/dbraw/zinc/40/57/98/858405798.db2.gz HPIGGGQBWHKDOG-GOSISDBHSA-N -1 3 384.501 3.725 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(C)(C)c1ccccc1 ZINC000443234675 858479853 /nfs/dbraw/zinc/47/98/53/858479853.db2.gz QPXFKDFDNZHAGL-QGZVFWFLSA-N -1 3 393.480 3.647 20 0 GHADHM Cc1ccc(CN(C)C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)o1 ZINC000605398726 863033793 /nfs/dbraw/zinc/03/37/93/863033793.db2.gz SXZMQAFZJFNGEX-UHFFFAOYSA-N -1 3 380.322 3.600 20 0 GHADHM O=c1[n-]c(=O)n(Cc2csc(-c3ccc(Br)cc3)n2)cc1Cl ZINC000443416409 858651157 /nfs/dbraw/zinc/65/11/57/858651157.db2.gz IMKNKYHGKKJCAP-UHFFFAOYSA-N -1 3 398.669 3.537 20 0 GHADHM C[C@@H](c1ccco1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522148893 858670195 /nfs/dbraw/zinc/67/01/95/858670195.db2.gz AZFZJQQNBNKMMX-JTQLQIEISA-N -1 3 375.222 3.717 20 0 GHADHM C[C@@H](c1ccncc1)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522152993 858673435 /nfs/dbraw/zinc/67/34/35/858673435.db2.gz GVMVCXJREZJIET-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM Cc1nn(-c2ccccc2)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000183359133 858726818 /nfs/dbraw/zinc/72/68/18/858726818.db2.gz DBBPTQRFOSIWLD-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)ccc1C ZINC000550482865 858740810 /nfs/dbraw/zinc/74/08/10/858740810.db2.gz RNKRLXMXIMXZOP-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM COc1ccc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC000676702879 858768463 /nfs/dbraw/zinc/76/84/63/858768463.db2.gz ZHVSVUOJEGXFBG-UHFFFAOYSA-N -1 3 376.456 3.853 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)c1cccc2ccccc21 ZINC000443493921 858829462 /nfs/dbraw/zinc/82/94/62/858829462.db2.gz UPMAJAYFYXQQMF-UHFFFAOYSA-N -1 3 392.274 3.786 20 0 GHADHM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1OCc1cccnc1 ZINC000665342373 858832517 /nfs/dbraw/zinc/83/25/17/858832517.db2.gz ZGKPKKKFPONTIM-UHFFFAOYSA-N -1 3 384.476 3.746 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2c(Cl)ccc(Cl)c2Cl)[n-]1 ZINC000895236466 858840459 /nfs/dbraw/zinc/84/04/59/858840459.db2.gz SKWVIAFMTIKFQE-ZETCQYMHSA-N -1 3 377.659 3.792 20 0 GHADHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000443499739 858842801 /nfs/dbraw/zinc/84/28/01/858842801.db2.gz KSAQKTUEYJRYPO-OAHLLOKOSA-N -1 3 385.888 3.560 20 0 GHADHM CC(C)(C)CN(CC(=O)[O-])Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000665350557 858975777 /nfs/dbraw/zinc/97/57/77/858975777.db2.gz YPZPQFJPXSJTSU-UHFFFAOYSA-N -1 3 380.286 3.772 20 0 GHADHM Cc1ccc(C(N)=O)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094068699 858988663 /nfs/dbraw/zinc/98/86/63/858988663.db2.gz PNLKLGRIRLZEGE-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM CCCCSc1ccc(Cl)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000185126259 859046697 /nfs/dbraw/zinc/04/66/97/859046697.db2.gz UAZQFAXPQKPCQA-UHFFFAOYSA-N -1 3 377.897 3.514 20 0 GHADHM O=c1[n-]c(CN2CC[C@H](Oc3cccc(Cl)c3)C2)nc2c3ccccc3oc21 ZINC000120322261 881380744 /nfs/dbraw/zinc/38/07/44/881380744.db2.gz NIJOZDKAWLIPAR-HNNXBMFYSA-N -1 3 395.846 3.976 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000483048694 859103896 /nfs/dbraw/zinc/10/38/96/859103896.db2.gz MYTQLGXJRUNWRW-SECBINFHSA-N -1 3 394.184 3.617 20 0 GHADHM O=C1Nc2ccc(S(=O)(=O)[N-][C@@H](C3CCCC3)C(F)(F)F)c3cccc1c23 ZINC000185807367 859130917 /nfs/dbraw/zinc/13/09/17/859130917.db2.gz ODXYGCKJTXISJU-INIZCTEOSA-N -1 3 398.406 3.805 20 0 GHADHM CCN(c1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cn1)C(C)C ZINC000509350973 859138199 /nfs/dbraw/zinc/13/81/99/859138199.db2.gz OPXNFUCXFNCUSN-UHFFFAOYSA-N -1 3 391.475 3.627 20 0 GHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2F)c1 ZINC000466342667 859164971 /nfs/dbraw/zinc/16/49/71/859164971.db2.gz FLXPCMWXXNEFTM-UHFFFAOYSA-N -1 3 389.452 3.908 20 0 GHADHM O=C(NCCc1cccc(-c2ccccc2)c1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483191569 859216441 /nfs/dbraw/zinc/21/64/41/859216441.db2.gz FPJXMVXPFJKMNO-UHFFFAOYSA-N -1 3 389.381 3.532 20 0 GHADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483240423 859234866 /nfs/dbraw/zinc/23/48/66/859234866.db2.gz UHDCOXKRIVQVSX-ZETCQYMHSA-N -1 3 396.200 3.561 20 0 GHADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483240422 859235111 /nfs/dbraw/zinc/23/51/11/859235111.db2.gz UHDCOXKRIVQVSX-SSDOTTSWSA-N -1 3 396.200 3.561 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000032140967 859255658 /nfs/dbraw/zinc/25/56/58/859255658.db2.gz MAICKUGHQAOVQA-UHFFFAOYSA-N -1 3 392.337 3.702 20 0 GHADHM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000509385841 859260859 /nfs/dbraw/zinc/26/08/59/859260859.db2.gz JHGATIKYMXCCIT-UHFFFAOYSA-N -1 3 381.501 3.848 20 0 GHADHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1ccc(Cl)cc1F ZINC000069081688 859333703 /nfs/dbraw/zinc/33/37/03/859333703.db2.gz VICSVBKXMQPHEF-OAHLLOKOSA-N -1 3 386.876 3.578 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)c(C)c1C ZINC000117228871 859355174 /nfs/dbraw/zinc/35/51/74/859355174.db2.gz FOVJPAPZWYYJKV-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM Cc1nc(-c2ccc(N3CC[C@@]4(CC(F)(F)C4(F)F)C3)nc2)[n-]c(=O)c1C ZINC000895390851 859367443 /nfs/dbraw/zinc/36/74/43/859367443.db2.gz APXRHKMJPYKJPD-MRXNPFEDSA-N -1 3 382.361 3.732 20 0 GHADHM COCCc1ccccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000466412193 859398222 /nfs/dbraw/zinc/39/82/22/859398222.db2.gz MNPKEBVVMBKFSV-UHFFFAOYSA-N -1 3 390.436 3.612 20 0 GHADHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000509433817 859435619 /nfs/dbraw/zinc/43/56/19/859435619.db2.gz RCFHGPSPHNXBFD-CZUORRHYSA-N -1 3 381.398 3.909 20 0 GHADHM CSC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000194626881 859445098 /nfs/dbraw/zinc/44/50/98/859445098.db2.gz KYDXCMOOKPNSQZ-LJQANCHMSA-N -1 3 398.528 3.655 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483552191 859457036 /nfs/dbraw/zinc/45/70/36/859457036.db2.gz ANJWSVYAHVPGGB-UONOGXRCSA-N -1 3 381.402 3.610 20 0 GHADHM O=C(OCc1ccc(C(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000764520013 859481554 /nfs/dbraw/zinc/48/15/54/859481554.db2.gz BOJKOAIZQLNBSB-INIZCTEOSA-N -1 3 375.371 3.678 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@@H](C)NCC2(NC(=O)[O-])CCCCC2)c(Cl)c1 ZINC000740065289 859574110 /nfs/dbraw/zinc/57/41/10/859574110.db2.gz GRWSYHCCRKOOPS-CQSZACIVSA-N -1 3 381.904 3.844 20 0 GHADHM COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000125976993 859604897 /nfs/dbraw/zinc/60/48/97/859604897.db2.gz UIKGXDYBHXOSGK-UHFFFAOYSA-N -1 3 378.222 3.547 20 0 GHADHM C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502666 859625111 /nfs/dbraw/zinc/62/51/11/859625111.db2.gz FHVWBCALBIBBIM-LSDHHAIUSA-N -1 3 399.466 3.518 20 0 GHADHM C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502927 859625294 /nfs/dbraw/zinc/62/52/94/859625294.db2.gz GURNABFPGBAWBD-WDEREUQCSA-N -1 3 387.436 3.534 20 0 GHADHM C[C@](CO)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000480875483 859702295 /nfs/dbraw/zinc/70/22/95/859702295.db2.gz FWIFIPCMXXVQBK-QGZVFWFLSA-N -1 3 388.316 3.513 20 0 GHADHM Cc1noc(C)c1COc1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000484086493 859809812 /nfs/dbraw/zinc/80/98/12/859809812.db2.gz FMZKIBULVCPZFP-UHFFFAOYSA-N -1 3 379.376 3.501 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)sc1Br ZINC000165261214 859975186 /nfs/dbraw/zinc/97/51/86/859975186.db2.gz HIPHMNOLTOAJHK-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1F)c1c(Cl)cccc1Br ZINC000386063333 860012411 /nfs/dbraw/zinc/01/24/11/860012411.db2.gz HRWQHOKIALUOPI-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H](c1ccccn1)C1CC1 ZINC000921525647 860019399 /nfs/dbraw/zinc/01/93/99/860019399.db2.gz VHXXGOLYIXPNIM-INIZCTEOSA-N -1 3 376.254 3.500 20 0 GHADHM Cn1ncc(CN[C@H](CSCc2cccc3ccccc32)C(=O)[O-])c1Cl ZINC000904015288 860024579 /nfs/dbraw/zinc/02/45/79/860024579.db2.gz KQWDMDKTWPSYOL-QGZVFWFLSA-N -1 3 389.908 3.703 20 0 GHADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)cc1O ZINC000904072239 860097416 /nfs/dbraw/zinc/09/74/16/860097416.db2.gz CWORVPWONLHNEE-OAHLLOKOSA-N -1 3 394.265 3.859 20 0 GHADHM CC(C)n1cc(CN[C@H](CCC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000904072730 860099037 /nfs/dbraw/zinc/09/90/37/860099037.db2.gz WHLOVASGVRHIML-MRXNPFEDSA-N -1 3 380.286 3.922 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000673567903 860168342 /nfs/dbraw/zinc/16/83/42/860168342.db2.gz WEAQJWGKMRMZFT-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000527468246 860181548 /nfs/dbraw/zinc/18/15/48/860181548.db2.gz ZHQUREJGMPQSKT-GAJHUEQPSA-N -1 3 390.483 3.565 20 0 GHADHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc([O-])c2ccccc2c1 ZINC000471783268 860219367 /nfs/dbraw/zinc/21/93/67/860219367.db2.gz WEJFECVRTAVIEU-UHFFFAOYSA-N -1 3 376.456 3.672 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904195101 860223266 /nfs/dbraw/zinc/22/32/66/860223266.db2.gz JFRQLLAAUPWNEO-QZTJIDSGSA-N -1 3 378.513 3.606 20 0 GHADHM CCO[C@@H]1C[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCCCC2 ZINC000904219129 860240824 /nfs/dbraw/zinc/24/08/24/860240824.db2.gz UNHJWCUDMQPVLA-RTBURBONSA-N -1 3 390.524 3.798 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H](c2ccco2)C1 ZINC000602769199 860274492 /nfs/dbraw/zinc/27/44/92/860274492.db2.gz XXEUGAFIHNRSLC-NSHDSACASA-N -1 3 387.233 3.513 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCc1ccccc1C(F)(F)F ZINC000474531913 860315112 /nfs/dbraw/zinc/31/51/12/860315112.db2.gz AUWVNHNWVCRWTQ-UHFFFAOYSA-N -1 3 381.398 3.779 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cn2ccnc2)c1)c1cccc(Cl)c1Cl ZINC000024687436 860338812 /nfs/dbraw/zinc/33/88/12/860338812.db2.gz DNDXKVLOZGRLHO-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024884576 860354476 /nfs/dbraw/zinc/35/44/76/860354476.db2.gz FECJSWPLOZIBBW-UHFFFAOYSA-N -1 3 376.478 3.507 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000904357131 860368818 /nfs/dbraw/zinc/36/88/18/860368818.db2.gz GTJCJSHDPGYAOV-INIZCTEOSA-N -1 3 395.550 3.890 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1C ZINC000428926724 860391932 /nfs/dbraw/zinc/39/19/32/860391932.db2.gz SXKYUGJCUPLMEO-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1C ZINC000428926724 860391941 /nfs/dbraw/zinc/39/19/41/860391941.db2.gz SXKYUGJCUPLMEO-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603043763 860454433 /nfs/dbraw/zinc/45/44/33/860454433.db2.gz PHIVWFSMSWQWRP-VHSXEESVSA-N -1 3 384.855 3.707 20 0 GHADHM CC(=O)c1c(C)cc(C)c(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000060986663 860501347 /nfs/dbraw/zinc/50/13/47/860501347.db2.gz YVSLUAZMVXJISH-UHFFFAOYSA-N -1 3 394.471 3.667 20 0 GHADHM CCOC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000116315050 860515247 /nfs/dbraw/zinc/51/52/47/860515247.db2.gz GBMONCOYRGNEOX-UHFFFAOYSA-N -1 3 391.836 3.809 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000904593469 860525284 /nfs/dbraw/zinc/52/52/84/860525284.db2.gz MCWDSYAVAUSJGI-QGZVFWFLSA-N -1 3 386.411 3.968 20 0 GHADHM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc2c(cc1[O-])OCO2 ZINC000436667909 860556614 /nfs/dbraw/zinc/55/66/14/860556614.db2.gz ZITLUTVATKWDGE-UHFFFAOYSA-N -1 3 390.367 3.699 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)s1)c1ccccc1 ZINC000654756757 860562355 /nfs/dbraw/zinc/56/23/55/860562355.db2.gz IQZDBZXVMKUWIF-ZDUSSCGKSA-N -1 3 381.461 3.705 20 0 GHADHM O=c1[n-]c(CN[C@@H](c2ccccc2)c2ccccn2)nc2c3ccccc3oc21 ZINC000026878974 860601775 /nfs/dbraw/zinc/60/17/75/860601775.db2.gz IDPLLWXNNSZQGW-FQEVSTJZSA-N -1 3 382.423 3.944 20 0 GHADHM CCOc1ccc(Oc2ccccc2NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000041613704 860829065 /nfs/dbraw/zinc/82/90/65/860829065.db2.gz RUKJWKGEIDZOAI-UHFFFAOYSA-N -1 3 393.443 3.759 20 0 GHADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000555419644 860849665 /nfs/dbraw/zinc/84/96/65/860849665.db2.gz QIVHOQVOMHBMSL-CQSZACIVSA-N -1 3 395.459 3.500 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cccc2c1OCO2 ZINC000509104473 861057432 /nfs/dbraw/zinc/05/74/32/861057432.db2.gz WHOBCWKVPBWHIG-UHFFFAOYSA-N -1 3 390.642 3.632 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])cc1F ZINC000730364010 861072219 /nfs/dbraw/zinc/07/22/19/861072219.db2.gz ALAXAHRNJSQYKI-JTQLQIEISA-N -1 3 396.212 3.786 20 0 GHADHM CCc1ccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364313 861073877 /nfs/dbraw/zinc/07/38/77/861073877.db2.gz JNURLRCCHHVKKJ-UHFFFAOYSA-N -1 3 378.222 3.513 20 0 GHADHM CC(C)[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N1CCCC[C@H]1C ZINC000730364427 861075350 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COc1cc(C)c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1OC ZINC000605492615 863113564 /nfs/dbraw/zinc/11/35/64/863113564.db2.gz PDWGEODDOCHEGU-LLVKDONJSA-N -1 3 397.880 3.790 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(C)=O ZINC000605495116 863115508 /nfs/dbraw/zinc/11/55/08/863115508.db2.gz IMVMCNPEXHIUGF-UHFFFAOYSA-N -1 3 386.517 3.911 20 0 GHADHM Cc1ccccc1OCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482470269 863193688 /nfs/dbraw/zinc/19/36/88/863193688.db2.gz KWNKZRMXXMXGEH-UHFFFAOYSA-N -1 3 393.281 3.731 20 0 GHADHM COc1ccc(-c2nc([N-]C(=O)c3ccc(F)c(Cl)c3F)n[nH]2)c(OC)c1 ZINC000182795683 863357848 /nfs/dbraw/zinc/35/78/48/863357848.db2.gz FNVSEYZXKKYMLS-UHFFFAOYSA-N -1 3 394.765 3.673 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nccs1 ZINC000444089868 863368004 /nfs/dbraw/zinc/36/80/04/863368004.db2.gz YOGMYFXYBSLOGV-CYBMUJFWSA-N -1 3 382.404 3.905 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c1 ZINC000606344707 863525987 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881754219 /nfs/dbraw/zinc/75/42/19/881754219.db2.gz DYRASJATENUAPH-HUUCEWRRSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000120787108 881754235 /nfs/dbraw/zinc/75/42/35/881754235.db2.gz DYRASJATENUAPH-HUUCEWRRSA-N -1 3 387.365 3.552 20 0 GHADHM CCOc1ccc(SCC(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1 ZINC000621654534 864350837 /nfs/dbraw/zinc/35/08/37/864350837.db2.gz GIQAPRMRGUSMCA-UHFFFAOYSA-N -1 3 383.473 3.637 20 0 GHADHM CCc1nc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)co1 ZINC000159220119 864424820 /nfs/dbraw/zinc/42/48/20/864424820.db2.gz YUELMOBMFBFYAH-UHFFFAOYSA-N -1 3 385.445 3.599 20 0 GHADHM C[C@@H](c1ccco1)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000621800315 864444274 /nfs/dbraw/zinc/44/42/74/864444274.db2.gz VVGIZGCBPYFQSV-QWRGUYRKSA-N -1 3 381.841 3.507 20 0 GHADHM O=C(CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000621865500 864494035 /nfs/dbraw/zinc/49/40/35/864494035.db2.gz NSFDUBQBDRWZQN-UHFFFAOYSA-N -1 3 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C[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)[C@@H](C)C1 ZINC000736239757 865158921 /nfs/dbraw/zinc/15/89/21/865158921.db2.gz IOLRTGZWVRKISX-QWQRMKEZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCCC[C@H]3C)c2-c2nnn[n-]2)C1 ZINC000736280212 865170421 /nfs/dbraw/zinc/17/04/21/865170421.db2.gz OMQWXNLVHAHZNG-YRGRVCCFSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCCC[C@H]3C)c2-c2nn[n-]n2)C1 ZINC000736280212 865170425 /nfs/dbraw/zinc/17/04/25/865170425.db2.gz OMQWXNLVHAHZNG-YRGRVCCFSA-N -1 3 389.525 3.587 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC4(CCOCC4)C3)cc2)cc(=O)[n-]1 ZINC000608283061 865174456 /nfs/dbraw/zinc/17/44/56/865174456.db2.gz BELCKYBXWKMLON-UHFFFAOYSA-N -1 3 382.464 3.582 20 0 GHADHM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000156504851 865195849 /nfs/dbraw/zinc/19/58/49/865195849.db2.gz ROBWTQUSLLXVPX-UHFFFAOYSA-N -1 3 388.471 3.717 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cc(N2CCCC2=O)ccc1F 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/nfs/dbraw/zinc/53/29/02/865532902.db2.gz BMDYCZFVGHMWFB-GJZGRUSLSA-N -1 3 387.288 3.587 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC[C@H](C2CCC2)C1 ZINC000665678182 865539591 /nfs/dbraw/zinc/53/95/91/865539591.db2.gz NAGNSHPNTYJSBS-UNMCSNQZSA-N -1 3 392.499 3.902 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(F)cc1)c1cccnc1Cl ZINC000738353465 865545675 /nfs/dbraw/zinc/54/56/75/865545675.db2.gz JJMVJYHFIRFITL-KRWDZBQOSA-N -1 3 376.840 3.942 20 0 GHADHM C[C@H]1Sc2ccc(C(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)cc2NC1=O ZINC000622892506 865704229 /nfs/dbraw/zinc/70/42/29/865704229.db2.gz TVFRCDHDLQKJJX-SNVBAGLBSA-N -1 3 398.875 3.837 20 0 GHADHM O=C(CCc1nnc(-c2ccsc2)o1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892543 865705404 /nfs/dbraw/zinc/70/54/04/865705404.db2.gz VZRPIAVHFBWVLV-UHFFFAOYSA-N -1 3 399.863 3.835 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000174608838 865934895 /nfs/dbraw/zinc/93/48/95/865934895.db2.gz RRLXUWLCOVHCLM-UHFFFAOYSA-N -1 3 378.444 3.665 20 0 GHADHM CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000620032773 866285761 /nfs/dbraw/zinc/28/57/61/866285761.db2.gz FQZYLDLTMBVKQS-IBGZPJMESA-N -1 3 390.480 3.791 20 0 GHADHM COc1cccc(CCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1OC ZINC000523114050 866502257 /nfs/dbraw/zinc/50/22/57/866502257.db2.gz MCQGWGJUOKNOAP-UHFFFAOYSA-N -1 3 379.460 3.704 20 0 GHADHM CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])NC(C)=O ZINC000153518115 866558107 /nfs/dbraw/zinc/55/81/07/866558107.db2.gz AVQISOUDWVDBQF-MRXNPFEDSA-N -1 3 376.840 3.650 20 0 GHADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000553010901 866620921 /nfs/dbraw/zinc/62/09/21/866620921.db2.gz DMIDVBCNNKMEKF-LPHOPBHVSA-N -1 3 386.810 3.581 20 0 GHADHM COc1cc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc(OC)c1 ZINC000620344528 866673134 /nfs/dbraw/zinc/67/31/34/866673134.db2.gz OJGKBRSAOVAHED-UHFFFAOYSA-N -1 3 380.404 3.819 20 0 GHADHM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCC1 ZINC000523139641 866709612 /nfs/dbraw/zinc/70/96/12/866709612.db2.gz FEQKXGMNPNGJLG-UHFFFAOYSA-N -1 3 376.453 3.641 20 0 GHADHM Cc1cc(C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)c(C)n1Cc1ccccc1 ZINC000741753245 866774709 /nfs/dbraw/zinc/77/47/09/866774709.db2.gz YTPVTPDLFNTMKV-UHFFFAOYSA-N -1 3 390.483 3.935 20 0 GHADHM COc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(F)c1 ZINC000005267346 882031303 /nfs/dbraw/zinc/03/13/03/882031303.db2.gz JSSJEIROOOXVQZ-VIFPVBQESA-N -1 3 376.409 3.667 20 0 GHADHM O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000479035399 867047238 /nfs/dbraw/zinc/04/72/38/867047238.db2.gz RHUVORRUIRWCCO-CQSZACIVSA-N -1 3 383.206 3.501 20 0 GHADHM C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000479036468 867051521 /nfs/dbraw/zinc/05/15/21/867051521.db2.gz WAHKRPDSGCRMHL-QGZVFWFLSA-N -1 3 383.206 3.805 20 0 GHADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296244 882041897 /nfs/dbraw/zinc/04/18/97/882041897.db2.gz LFPUFBHFRPMGJX-SFYZADRCSA-N -1 3 392.731 3.715 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c[nH]nc2-c2ccsc2)[nH][n-]1 ZINC000444688908 867065857 /nfs/dbraw/zinc/06/58/57/867065857.db2.gz DNOHHJJBCGSYIP-UHFFFAOYSA-N -1 3 399.863 3.865 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Oc1ccccc1Cl ZINC000742326253 867207576 /nfs/dbraw/zinc/20/75/76/867207576.db2.gz OYVIJOBVWHDGKY-SECBINFHSA-N -1 3 395.695 3.788 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2c(C)cccc2F)s1 ZINC000742326284 867208222 /nfs/dbraw/zinc/20/82/22/867208222.db2.gz PDMCVDLWDVQHSB-UHFFFAOYSA-N -1 3 378.288 3.745 20 0 GHADHM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534729699 867347768 /nfs/dbraw/zinc/34/77/68/867347768.db2.gz ULXXWEWFGRQKRH-KRWDZBQOSA-N -1 3 375.856 3.508 20 0 GHADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cccc4c3OCCO4)cc2s1 ZINC000479268262 867439840 /nfs/dbraw/zinc/43/98/40/867439840.db2.gz CVSDDLNMGRXXOA-UHFFFAOYSA-N -1 3 396.877 3.830 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)c(C)c1 ZINC000479322309 867563577 /nfs/dbraw/zinc/56/35/77/867563577.db2.gz XSHPDNFDPOVEBC-SFHVURJKSA-N -1 3 388.533 3.806 20 0 GHADHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000553523455 867616191 /nfs/dbraw/zinc/61/61/91/867616191.db2.gz IPKIPAUKLCTXHZ-MRVPVSSYSA-N -1 3 398.403 3.571 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000154894285 867650860 /nfs/dbraw/zinc/65/08/60/867650860.db2.gz YKNUXKSLGJFNBS-DGCLKSJQSA-N -1 3 377.282 3.989 20 0 GHADHM C[C@@H]1CN(Cc2ccc(CNC(=O)c3c([O-])cccc3Cl)cc2)C[C@H](C)O1 ZINC000920446323 882111051 /nfs/dbraw/zinc/11/10/51/882111051.db2.gz NMRIRRNCCBPSIL-GASCZTMLSA-N -1 3 388.895 3.585 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)n[n-]2)o1 ZINC000479445606 867813481 /nfs/dbraw/zinc/81/34/81/867813481.db2.gz MTBWLWDXXOJMFM-UHFFFAOYSA-N -1 3 391.218 3.509 20 0 GHADHM Cc1nc(-c2ccc(NCc3ccsc3Br)nc2)[n-]c(=O)c1C ZINC000509500085 882138425 /nfs/dbraw/zinc/13/84/25/882138425.db2.gz JURQFELVAJKQDN-UHFFFAOYSA-N -1 3 391.294 3.719 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3=CCCC3)ccc2C)cc1 ZINC000155570325 867951653 /nfs/dbraw/zinc/95/16/53/867951653.db2.gz HNJVVWNHKNFZIH-UHFFFAOYSA-N -1 3 386.473 3.853 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000155576476 867956136 /nfs/dbraw/zinc/95/61/36/867956136.db2.gz UONRTTLHFFDJRZ-LLVKDONJSA-N -1 3 399.843 3.741 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000535044319 867999529 /nfs/dbraw/zinc/99/95/29/867999529.db2.gz WBYLOAAZTVHOIB-INIZCTEOSA-N -1 3 390.277 3.979 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)[C@H]3COc4ccccc43)cc2)cc(=O)[n-]1 ZINC000535090304 868148241 /nfs/dbraw/zinc/14/82/41/868148241.db2.gz YYNBDBUHKUBOMO-FZKQIMNGSA-N -1 3 390.443 3.844 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1sc(C)nc1C ZINC000128306877 868236113 /nfs/dbraw/zinc/23/61/13/868236113.db2.gz DGYNEXJULPETQK-LLVKDONJSA-N -1 3 377.853 3.692 20 0 GHADHM O=S(=O)([N-][C@H]1CCC[C@@H]1Cc1ccccc1)c1cccnc1C(F)(F)F ZINC000553829715 868322199 /nfs/dbraw/zinc/32/21/99/868322199.db2.gz DWEGCROYBCCDIW-CABCVRRESA-N -1 3 384.423 3.790 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1c(C)noc1C ZINC000535248260 868431005 /nfs/dbraw/zinc/43/10/05/868431005.db2.gz RELIAEOFTGRHJG-GFCCVEGCSA-N -1 3 391.262 3.623 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(N3CCC(C)CC3)nc2)[nH][n-]1 ZINC000524045236 868435383 /nfs/dbraw/zinc/43/53/83/868435383.db2.gz JFZJVNTXKXUMNU-UHFFFAOYSA-N -1 3 375.476 3.691 20 0 GHADHM CC1(c2cccc(CNC(=O)c3cc([O-])cc(C(F)(F)F)c3)c2)OCCO1 ZINC000857301817 882188664 /nfs/dbraw/zinc/18/86/64/882188664.db2.gz ZKDWJOWCBRLWTN-UHFFFAOYSA-N -1 3 381.350 3.561 20 0 GHADHM CCCCOCCOCc1cccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC000667558841 868541444 /nfs/dbraw/zinc/54/14/44/868541444.db2.gz SSCWYYIHDKSFNK-UHFFFAOYSA-N -1 3 383.448 3.854 20 0 GHADHM CCc1nnc(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2)o1 ZINC000155358480 868610424 /nfs/dbraw/zinc/61/04/24/868610424.db2.gz RLBMCPRGVXTEMF-UHFFFAOYSA-N -1 3 392.390 3.840 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C)CC3)ccc2C)cc1 ZINC000157285879 868613167 /nfs/dbraw/zinc/61/31/67/868613167.db2.gz BCBNGDHVWVKTQT-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM COCCCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000744189187 868649420 /nfs/dbraw/zinc/64/94/20/868649420.db2.gz SSILBTRIIDWOHU-UHFFFAOYSA-N -1 3 395.452 3.600 20 0 GHADHM CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000857341958 882213023 /nfs/dbraw/zinc/21/30/23/882213023.db2.gz JQOGENGOYPSUCE-UHFFFAOYSA-N -1 3 395.434 3.647 20 0 GHADHM O=C([N-][C@H](c1cncc(Br)c1)C1CC1)C(F)(F)c1nccs1 ZINC000793482986 882218586 /nfs/dbraw/zinc/21/85/86/882218586.db2.gz IDWDDCCKGGNGOL-NSHDSACASA-N -1 3 388.237 3.660 20 0 GHADHM COc1ccc(O[C@H](C)C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000744216972 868671249 /nfs/dbraw/zinc/67/12/49/868671249.db2.gz LYIYEEXWLLYYON-CQSZACIVSA-N -1 3 380.400 3.539 20 0 GHADHM COc1ccc(CCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1F ZINC000744218930 868674364 /nfs/dbraw/zinc/67/43/64/868674364.db2.gz HRRGFDOHEPZNJG-UHFFFAOYSA-N -1 3 382.391 3.844 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Br)c1 ZINC000121790057 882219257 /nfs/dbraw/zinc/21/92/57/882219257.db2.gz OYRAYHAQAJSKKC-NSHDSACASA-N -1 3 391.265 3.946 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)ccc1Cl ZINC000648432889 882220974 /nfs/dbraw/zinc/22/09/74/882220974.db2.gz LFFDAZGXRKTCJA-VIFPVBQESA-N -1 3 396.196 3.889 20 0 GHADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)nn1C1CCCCC1 ZINC000648431937 882223151 /nfs/dbraw/zinc/22/31/51/882223151.db2.gz JVILDXOMNIHXAE-UHFFFAOYSA-N -1 3 389.809 3.783 20 0 GHADHM Cc1cnc(CCN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000157852589 868780071 /nfs/dbraw/zinc/78/00/71/868780071.db2.gz RBLJBQAPFULNMI-UHFFFAOYSA-N -1 3 386.502 3.684 20 0 GHADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(C(F)(F)F)o1 ZINC000648432364 882228242 /nfs/dbraw/zinc/22/82/42/882228242.db2.gz ZRBNHSGDKRPCLZ-UHFFFAOYSA-N -1 3 375.656 3.693 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(C)o1 ZINC000479981833 868855870 /nfs/dbraw/zinc/85/58/70/868855870.db2.gz NWCXEUDIYVMWCU-ZDUSSCGKSA-N -1 3 378.277 3.951 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433726 882234947 /nfs/dbraw/zinc/23/49/47/882234947.db2.gz LURPKFXOGNGYOT-MRVPVSSYSA-N -1 3 382.169 3.580 20 0 GHADHM O=S(=O)([N-]C(Cc1ccccc1F)Cc1ccccc1F)c1ccco1 ZINC000445747071 868926410 /nfs/dbraw/zinc/92/64/10/868926410.db2.gz FWTDUKGZAMCKAD-UHFFFAOYSA-N -1 3 377.412 3.690 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(F)cccc3Br)nc21 ZINC000158430962 868945559 /nfs/dbraw/zinc/94/55/59/868945559.db2.gz UHYZSZPWSKPPBG-UHFFFAOYSA-N -1 3 392.184 3.503 20 0 GHADHM CC1(C)CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)[C@@H]1c1ccco1 ZINC000640297959 882252264 /nfs/dbraw/zinc/25/22/64/882252264.db2.gz AXKSDEAQNLCDGP-LLVKDONJSA-N -1 3 376.766 3.729 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)ccc(F)c21)c1cccc(Cl)c1F ZINC000462301249 869197472 /nfs/dbraw/zinc/19/74/72/869197472.db2.gz VQPOSPUYJBTEBL-LLVKDONJSA-N -1 3 377.771 3.559 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462335980 869271887 /nfs/dbraw/zinc/27/18/87/869271887.db2.gz ZFLUEPMOWYHTLD-ABKXIKBNSA-N -1 3 393.814 3.812 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000737559839 869319588 /nfs/dbraw/zinc/31/95/88/869319588.db2.gz AOUDYGOVQSCLTJ-GHMZBOCLSA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000737559839 869319597 /nfs/dbraw/zinc/31/95/97/869319597.db2.gz AOUDYGOVQSCLTJ-GHMZBOCLSA-N -1 3 375.404 3.565 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccsc1 ZINC000462435984 869428016 /nfs/dbraw/zinc/42/80/16/869428016.db2.gz KLLXRKCDYVMJIN-HNNXBMFYSA-N -1 3 392.468 3.527 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nccc3ccccc32)s1 ZINC000462435282 869455373 /nfs/dbraw/zinc/45/53/73/869455373.db2.gz HQWMMHKMDFEYFW-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C(C)C)c2)CC1 ZINC000462450733 869457476 /nfs/dbraw/zinc/45/74/76/869457476.db2.gz DRMIQVBEAXKFCA-UHFFFAOYSA-N -1 3 387.549 3.753 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cc(F)c(F)c(F)c1 ZINC000462476095 869501873 /nfs/dbraw/zinc/50/18/73/869501873.db2.gz RJHKADRBRCRRMX-GOSISDBHSA-N -1 3 378.375 3.567 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000462541216 869635473 /nfs/dbraw/zinc/63/54/73/869635473.db2.gz ZXWCOVBTRSIZMO-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000462575917 869699597 /nfs/dbraw/zinc/69/95/97/869699597.db2.gz FDKWJWBHUPALPM-UHFFFAOYSA-N -1 3 385.346 3.571 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000121893082 882335731 /nfs/dbraw/zinc/33/57/31/882335731.db2.gz RBPQYRWGVXRGEB-GFCCVEGCSA-N -1 3 394.443 3.661 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)ccc1F ZINC000191029479 882344318 /nfs/dbraw/zinc/34/43/18/882344318.db2.gz OEBSIIITTQRXSX-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)ccc1F ZINC000469082402 882359741 /nfs/dbraw/zinc/35/97/41/882359741.db2.gz UITBVWDJRWFDCR-HNNXBMFYSA-N -1 3 377.359 3.590 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)cc1 ZINC000746056560 869984941 /nfs/dbraw/zinc/98/49/41/869984941.db2.gz OSSMORBJPRNTSL-UHFFFAOYSA-N -1 3 390.461 3.541 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](n3cc(Br)cn3)C2)c([O-])c1 ZINC001192322739 870288653 /nfs/dbraw/zinc/28/86/53/870288653.db2.gz LTRAVVWAAQUEMQ-CQSZACIVSA-N -1 3 392.297 3.736 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c([O-])c1 ZINC001192325922 870290723 /nfs/dbraw/zinc/29/07/23/870290723.db2.gz JVSWMPYVKWFSTM-DLBZAZTESA-N -1 3 384.501 3.771 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC001192335037 870296016 /nfs/dbraw/zinc/29/60/16/870296016.db2.gz BWYVUSVYRKBJQD-SFHVURJKSA-N -1 3 394.515 3.858 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3c(cccc3NC(C)=O)C2)c([O-])c1 ZINC000190168521 870320766 /nfs/dbraw/zinc/32/07/66/870320766.db2.gz HXNBTRPZOHLCOG-UHFFFAOYSA-N -1 3 382.460 3.728 20 0 GHADHM COc1ccccc1C/C(C)=C/C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151541185 870452839 /nfs/dbraw/zinc/45/28/39/870452839.db2.gz DOMLBJGFANEPOF-JLHYYAGUSA-N -1 3 390.277 3.969 20 0 GHADHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC001192554048 870471783 /nfs/dbraw/zinc/47/17/83/870471783.db2.gz YNEZQIXOMGKXFQ-GJZGRUSLSA-N -1 3 375.893 3.884 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cccc(OC(C)C)c1F ZINC001212326148 870494508 /nfs/dbraw/zinc/49/45/08/870494508.db2.gz XZFKAYHNGAQWGQ-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000538742149 870517079 /nfs/dbraw/zinc/51/70/79/870517079.db2.gz SMCWGIOWVRPGMD-UHFFFAOYSA-N -1 3 380.444 3.657 20 0 GHADHM Cn1cnnc1Sc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000538746472 870550940 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COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c(Cl)n1 ZINC000766363564 870662832 /nfs/dbraw/zinc/66/28/32/870662832.db2.gz NLZBEOABTUNQMI-UHFFFAOYSA-N -1 3 379.290 3.920 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc2ccccc2cc1[O-] ZINC001192758388 870673851 /nfs/dbraw/zinc/67/38/51/870673851.db2.gz ILHATFBWYCECEY-IBGZPJMESA-N -1 3 378.428 3.841 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(F)(F)F)c1 ZINC001192826030 870701023 /nfs/dbraw/zinc/70/10/23/870701023.db2.gz BWTGBVRGQYVZGX-MRXNPFEDSA-N -1 3 391.386 3.979 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Br)c1Cl)c1cnccc1Cl ZINC001192922232 870789409 /nfs/dbraw/zinc/78/94/09/870789409.db2.gz DBMLHKUMECWIJX-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1C1CC1 ZINC001193064454 870858951 /nfs/dbraw/zinc/85/89/51/870858951.db2.gz PXBKZDLYYRNQHM-UHFFFAOYSA-N -1 3 395.399 3.546 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000525532449 870906287 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GHADHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000181490777 871091777 /nfs/dbraw/zinc/09/17/77/871091777.db2.gz QYOZMZNUDZONPX-LBPRGKRZSA-N -1 3 376.819 3.700 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1cnc(-c2ccccc2)s1 ZINC001193572369 871167906 /nfs/dbraw/zinc/16/79/06/871167906.db2.gz CJJRHTZCNQICQD-AEFFLSMTSA-N -1 3 386.498 3.619 20 0 GHADHM C[C@@H](O)COc1cccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)c1 ZINC000525713872 871280223 /nfs/dbraw/zinc/28/02/23/871280223.db2.gz WYJYGNPVPJFOIG-SNVBAGLBSA-N -1 3 375.222 3.525 20 0 GHADHM CCc1nc(C(=O)[N-]c2c3nsnc3ccc2Cl)nn1-c1ccccc1 ZINC000776961559 882494034 /nfs/dbraw/zinc/49/40/34/882494034.db2.gz XNQGSMTWDRVSCD-UHFFFAOYSA-N -1 3 384.852 3.740 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193749606 871290108 /nfs/dbraw/zinc/29/01/08/871290108.db2.gz OXLHUGRSJOXZDY-RBOXIYTFSA-N -1 3 399.409 3.993 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000463294646 871353092 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Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccc(-c3cccs3)cc1)C(=O)N2 ZINC001194171005 871525119 /nfs/dbraw/zinc/52/51/19/871525119.db2.gz SLIKAYNXHSWTKI-GOSISDBHSA-N -1 3 384.482 3.695 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc2c(Cl)cccc2c1 ZINC001194237193 871576569 /nfs/dbraw/zinc/57/65/69/871576569.db2.gz ZVXHDJSVWKZBRT-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccc3c(Cl)cccc3c1)C(=O)N2 ZINC001194243733 871582720 /nfs/dbraw/zinc/58/27/20/871582720.db2.gz AWWSZDZVLMIRSG-GOSISDBHSA-N -1 3 386.860 3.773 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cc4ccccc4s3)c2C1 ZINC001194326853 871622300 /nfs/dbraw/zinc/62/23/00/871622300.db2.gz PYVBFCRIVSWIBF-UHFFFAOYSA-N -1 3 376.503 3.883 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000146293637 871704141 /nfs/dbraw/zinc/70/41/41/871704141.db2.gz ZSENDILEDJWQFV-KDOFPFPSSA-N -1 3 383.872 3.925 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@@H](c1ccccn1)C1CCC1 ZINC000640302088 882541782 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CCOC(=O)c1ccc(NCc2ncccc2[O-])nc1-c1ccc(F)cc1F ZINC001169732128 871827710 /nfs/dbraw/zinc/82/77/10/871827710.db2.gz IKJNDZHQKZBYPI-UHFFFAOYSA-N -1 3 385.370 3.916 20 0 GHADHM [O-]c1cccnc1CNc1cnc(N2CCCCC2)nc1OCc1ccccc1 ZINC001169733513 871829353 /nfs/dbraw/zinc/82/93/53/871829353.db2.gz XJLWNHISGPIDGV-UHFFFAOYSA-N -1 3 391.475 3.759 20 0 GHADHM COCCOCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000462196624 871831420 /nfs/dbraw/zinc/83/14/20/871831420.db2.gz QQLDPAXEXVCOHK-UHFFFAOYSA-N -1 3 380.238 3.570 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000766852447 871927755 /nfs/dbraw/zinc/92/77/55/871927755.db2.gz ZHSWSEICACRVPJ-VHSXEESVSA-N -1 3 395.834 3.563 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)C)c2)c(C)c1C ZINC001194864911 871996860 /nfs/dbraw/zinc/99/68/60/871996860.db2.gz UNDLGNRRGAUQOD-UHFFFAOYSA-N -1 3 390.505 3.559 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(OC)OC)c(C)c1C ZINC001194864873 871997578 /nfs/dbraw/zinc/99/75/78/871997578.db2.gz SSIONNAESVKPAL-UHFFFAOYSA-N -1 3 393.505 3.583 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c2ccncc12 ZINC001194866714 871999062 /nfs/dbraw/zinc/99/90/62/871999062.db2.gz OKFCBQFRPFCMRQ-UHFFFAOYSA-N -1 3 386.473 3.978 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000447677019 872080400 /nfs/dbraw/zinc/08/04/00/872080400.db2.gz SBVYKFTYTKXIRZ-UHFFFAOYSA-N -1 3 385.483 3.793 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3N3CCC(CO)CC3)c([O-])c2O1 ZINC000552156094 872111548 /nfs/dbraw/zinc/11/15/48/872111548.db2.gz SKGHGUYTWRLXBM-UHFFFAOYSA-N -1 3 396.487 3.567 20 0 GHADHM CC[C@H](C)N1CC[C@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271915414 872117926 /nfs/dbraw/zinc/11/79/26/872117926.db2.gz POWXKFJSKODFCA-VBKZILBWSA-N -1 3 378.900 3.689 20 0 GHADHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c([O-])c1 ZINC000447731516 872179318 /nfs/dbraw/zinc/17/93/18/872179318.db2.gz NAUXXCWFAZCUAO-UHFFFAOYSA-N -1 3 380.469 3.514 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cccc(Nc3nc(Cl)nc(Cl)n3)c2)n1 ZINC001195202784 872255406 /nfs/dbraw/zinc/25/54/06/872255406.db2.gz IAFOESRIRBTRDM-UHFFFAOYSA-N -1 3 391.218 3.583 20 0 GHADHM CCc1ccccc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000547012784 882594951 /nfs/dbraw/zinc/59/49/51/882594951.db2.gz YPSXAGJIBWKCCY-UHFFFAOYSA-N -1 3 387.436 3.546 20 0 GHADHM COC(=O)c1cc(Br)cc(NC(=O)Oc2ccccc2OC)c1[O-] ZINC001195264524 872291933 /nfs/dbraw/zinc/29/19/33/872291933.db2.gz CTLKSUQOQALTOB-UHFFFAOYSA-N -1 3 396.193 3.561 20 0 GHADHM CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000101855985 872325215 /nfs/dbraw/zinc/32/52/15/872325215.db2.gz OELNUSORQDQBOO-UHFFFAOYSA-N -1 3 399.285 3.598 20 0 GHADHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000163070754 872336304 /nfs/dbraw/zinc/33/63/04/872336304.db2.gz OTCYHIFWJNHKBM-UHFFFAOYSA-N -1 3 389.415 3.730 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H](C)CC(C)(C)C)c2)[n-]1 ZINC000619141498 872347007 /nfs/dbraw/zinc/34/70/07/872347007.db2.gz UBYZGIMBYCIWFV-AWEZNQCLSA-N -1 3 386.496 3.727 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H](C)CC(C)(C)C)c2)n[n-]1 ZINC000619141498 872347026 /nfs/dbraw/zinc/34/70/26/872347026.db2.gz UBYZGIMBYCIWFV-AWEZNQCLSA-N -1 3 386.496 3.727 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000552287459 872355600 /nfs/dbraw/zinc/35/56/00/872355600.db2.gz SLHALVMQOKSQIP-UWVGGRQHSA-N -1 3 375.053 3.643 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000552287461 872355753 /nfs/dbraw/zinc/35/57/53/872355753.db2.gz SLHALVMQOKSQIP-ZJUUUORDSA-N -1 3 375.053 3.643 20 0 GHADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526959877 872359734 /nfs/dbraw/zinc/35/97/34/872359734.db2.gz MKHMWEOZHUVEIT-YGRLFVJLSA-N -1 3 396.310 3.565 20 0 GHADHM CCOC(=O)NC(=S)[N-]c1cc(-c2ccc(Br)c(F)c2)no1 ZINC001195454203 872398590 /nfs/dbraw/zinc/39/85/90/872398590.db2.gz CMPLYFSNYWOFJK-UHFFFAOYSA-N -1 3 388.218 3.686 20 0 GHADHM CC(=O)c1cc(F)c(Br)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195420839 872407931 /nfs/dbraw/zinc/40/79/31/872407931.db2.gz MGIIYDUQVVREDY-UHFFFAOYSA-N -1 3 395.253 3.918 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)n1 ZINC000447887650 872478623 /nfs/dbraw/zinc/47/86/23/872478623.db2.gz FNQQUYYEXACGOE-OXJNMPFZSA-N -1 3 390.487 3.599 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(C(F)F)c(Br)c2)[n-]1 ZINC001195577379 872482753 /nfs/dbraw/zinc/48/27/53/872482753.db2.gz REQAQQYLRIWMBQ-UHFFFAOYSA-N -1 3 388.168 3.539 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(C(F)F)c(Br)c2)c[n-]1 ZINC001195577379 872482762 /nfs/dbraw/zinc/48/27/62/872482762.db2.gz REQAQQYLRIWMBQ-UHFFFAOYSA-N -1 3 388.168 3.539 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000527028666 872502577 /nfs/dbraw/zinc/50/25/77/872502577.db2.gz FXPHDVJPEDQETA-CTYIDZIISA-N -1 3 396.878 3.881 20 0 GHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(Oc3ccccc3)cn2)c1F ZINC000478106657 872514376 /nfs/dbraw/zinc/51/43/76/872514376.db2.gz ZOXYBWFWJMNZBJ-UHFFFAOYSA-N -1 3 385.326 3.586 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c(C)cn1 ZINC000527043249 872526808 /nfs/dbraw/zinc/52/68/08/872526808.db2.gz FFHWFGDLLGBMBO-UHFFFAOYSA-N -1 3 380.897 3.753 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000540939377 872541187 /nfs/dbraw/zinc/54/11/87/872541187.db2.gz ZLRWSTMDGFGICP-UHFFFAOYSA-N -1 3 388.848 3.848 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000122580035 882624233 /nfs/dbraw/zinc/62/42/33/882624233.db2.gz XYEUNKVQRHTKCW-KRWDZBQOSA-N -1 3 390.892 3.934 20 0 GHADHM O=C(COC1CCCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175767379 882624565 /nfs/dbraw/zinc/62/45/65/882624565.db2.gz DIEBHVVGCUOVCT-UHFFFAOYSA-N -1 3 394.899 3.572 20 0 GHADHM O=S(=O)(Nc1cccc(C(F)(F)F)c1Br)c1ccc([O-])cc1 ZINC001195754820 872610551 /nfs/dbraw/zinc/61/05/51/872610551.db2.gz AVYHSSKYNNLJQG-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM O=S(=O)(Nc1c(Cl)nc(Cl)cc1Br)c1ccc([O-])cc1 ZINC001195767240 872626077 /nfs/dbraw/zinc/62/60/77/872626077.db2.gz HNHOJUKMXDDUBM-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2S(=O)(=O)c1ccc([O-])cc1 ZINC001195791254 872665628 /nfs/dbraw/zinc/66/56/28/872665628.db2.gz FYJKFHZKIURSAP-YADHBBJMSA-N -1 3 377.465 3.957 20 0 GHADHM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc2n[n-]nc21 ZINC000527108436 872673616 /nfs/dbraw/zinc/67/36/16/872673616.db2.gz SNUOIRQAKDLWHR-UHFFFAOYSA-N -1 3 382.317 3.627 20 0 GHADHM Cc1cc(Oc2ccn3ccnc3c2)ccc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195810019 872680798 /nfs/dbraw/zinc/68/07/98/872680798.db2.gz AZBDNHYAZMYZOQ-UHFFFAOYSA-N -1 3 395.440 3.941 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1 ZINC001195856819 872688229 /nfs/dbraw/zinc/68/82/29/872688229.db2.gz DPIJGOKMFOLBGU-UHFFFAOYSA-N -1 3 376.338 3.612 20 0 GHADHM COc1ccc([C@H](C)[C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182731639 872712513 /nfs/dbraw/zinc/71/25/13/872712513.db2.gz XXLQCYGGOAHJOR-ZIAGYGMSSA-N -1 3 378.494 3.679 20 0 GHADHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)no1 ZINC000070693097 872737841 /nfs/dbraw/zinc/73/78/41/872737841.db2.gz HIHQUGOMHBPCNC-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)cnc1Cl ZINC000767724851 872788645 /nfs/dbraw/zinc/78/86/45/872788645.db2.gz QZVNNBSQIBWUHY-SECBINFHSA-N -1 3 394.802 3.802 20 0 GHADHM CCOc1c(Cl)cccc1CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000478330722 872848399 /nfs/dbraw/zinc/84/83/99/872848399.db2.gz WMAHMWQKJHDHQX-UHFFFAOYSA-N -1 3 387.823 3.583 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1C1CCCC1)c1c(F)cccc1OC(F)(F)F ZINC001196121618 872907278 /nfs/dbraw/zinc/90/72/78/872907278.db2.gz TYJOTSRYQLQMGB-NWDGAFQWSA-N -1 3 381.391 3.829 20 0 GHADHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccccc1-c1ccno1)C(F)(F)F ZINC000541126054 872964997 /nfs/dbraw/zinc/96/49/97/872964997.db2.gz WSOREDWIZKYKDN-AWEZNQCLSA-N -1 3 376.400 3.987 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1Cl)c1ccc(Cl)cn1 ZINC001196272217 872981513 /nfs/dbraw/zinc/98/15/13/872981513.db2.gz BMOMRVXWAXQPJX-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]Cc1c(Cl)cccc1Cl)c1cccc(Br)n1 ZINC001196274891 873011527 /nfs/dbraw/zinc/01/15/27/873011527.db2.gz FWGGKILBVLVXFL-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM COCc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC001196387294 873067675 /nfs/dbraw/zinc/06/76/75/873067675.db2.gz MHFPIJIAAKZWAL-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1[O-] ZINC000552712736 873072054 /nfs/dbraw/zinc/07/20/54/873072054.db2.gz RMRBOGXRLWSMPU-UHFFFAOYSA-N -1 3 392.427 3.911 20 0 GHADHM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196435457 873084748 /nfs/dbraw/zinc/08/47/48/873084748.db2.gz NYUSJAFMICRSRV-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM CC(=O)c1ccc(NC(=O)c2cc([O-])cc(I)c2)c(F)c1 ZINC001196417262 873101648 /nfs/dbraw/zinc/10/16/48/873101648.db2.gz JHJNEAXCEWTXDM-UHFFFAOYSA-N -1 3 399.159 3.591 20 0 GHADHM O=S(=O)([N-]C1CCN(Cc2ccc(F)cc2)CC1)c1cc2ccccc2o1 ZINC000134014125 882690228 /nfs/dbraw/zinc/69/02/28/882690228.db2.gz RMCMLGZLIJPPFS-UHFFFAOYSA-N -1 3 388.464 3.515 20 0 GHADHM COc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC001196521283 873159541 /nfs/dbraw/zinc/15/95/41/873159541.db2.gz QXZYFQPPUALGGG-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccnc(N2CCCC2)c1 ZINC001196526991 873164262 /nfs/dbraw/zinc/16/42/62/873164262.db2.gz YIAROTYCXWTWKC-UHFFFAOYSA-N -1 3 396.310 3.554 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1csc(-c2ccc(Cl)s2)n1 ZINC000527499966 873184632 /nfs/dbraw/zinc/18/46/32/873184632.db2.gz LDEUXSMSAWUCJQ-JTQLQIEISA-N -1 3 380.882 3.774 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC(F)CC1 ZINC000619960328 873211439 /nfs/dbraw/zinc/21/14/39/873211439.db2.gz RWZQWIZSSTUOHA-XSRFYTQQSA-N -1 3 395.272 3.937 20 0 GHADHM CSc1nnc([N-]C(=O)c2cc(F)c(OC3CCC3)c(F)c2)c(SC)n1 ZINC001196577414 873235926 /nfs/dbraw/zinc/23/59/26/873235926.db2.gz WUMMKYROOJNLRJ-UHFFFAOYSA-N -1 3 398.460 3.777 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000464195685 873358301 /nfs/dbraw/zinc/35/83/01/873358301.db2.gz XUSTTXGLFBROFB-UHFFFAOYSA-N -1 3 392.691 3.949 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(O)cc2)c1 ZINC001196793321 873363416 /nfs/dbraw/zinc/36/34/16/873363416.db2.gz UQWCRLAQVBONKE-FQEVSTJZSA-N -1 3 387.432 3.608 20 0 GHADHM O=C(NCc1ncccc1[O-])c1ccc(-c2ccccc2OC(F)(F)F)nc1 ZINC001196801073 873369764 /nfs/dbraw/zinc/36/97/64/873369764.db2.gz FITVJMJIYRRWOQ-UHFFFAOYSA-N -1 3 389.333 3.678 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)o1 ZINC001196802635 873370687 /nfs/dbraw/zinc/37/06/87/873370687.db2.gz LGNIUTQZZOOARB-UHFFFAOYSA-N -1 3 382.638 3.622 20 0 GHADHM O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000768558613 873387604 /nfs/dbraw/zinc/38/76/04/873387604.db2.gz SNCYFBXQJZBMTP-QHCPKHFHSA-N -1 3 384.435 3.659 20 0 GHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCN1Cc1ccccc1 ZINC000464195290 873388073 /nfs/dbraw/zinc/38/80/73/873388073.db2.gz WSGIDAWDHYADLD-GOEBONIOSA-N -1 3 396.915 3.811 20 0 GHADHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000775747506 873390691 /nfs/dbraw/zinc/39/06/91/873390691.db2.gz XPERTHZRSZDART-OLZOCXBDSA-N -1 3 387.288 3.622 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccnc(Cl)c3N)nc(=O)c2c1C ZINC000768567325 873392880 /nfs/dbraw/zinc/39/28/80/873392880.db2.gz WTYDADZZTXLKMX-ZETCQYMHSA-N -1 3 378.841 3.562 20 0 GHADHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000464219884 873448397 /nfs/dbraw/zinc/44/83/97/873448397.db2.gz SLSDUUTYBKTDPR-UHFFFAOYSA-N -1 3 395.786 3.568 20 0 GHADHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134088467 882726974 /nfs/dbraw/zinc/72/69/74/882726974.db2.gz AHTJFYGRQSSDHU-UHFFFAOYSA-N -1 3 381.350 3.950 20 0 GHADHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC001197135195 873593051 /nfs/dbraw/zinc/59/30/51/873593051.db2.gz RKBGJOIOYZAYPQ-IBGZPJMESA-N -1 3 398.466 3.657 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c(=O)[n-]1 ZINC000541444544 873594440 /nfs/dbraw/zinc/59/44/40/873594440.db2.gz BKOPQUXAMBUFHE-UHFFFAOYSA-N -1 3 393.378 3.760 20 0 GHADHM COc1cc([O-])ccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001197171317 873637660 /nfs/dbraw/zinc/63/76/60/873637660.db2.gz MLAPMMWDBNDUGM-UHFFFAOYSA-N -1 3 382.803 3.933 20 0 GHADHM COc1cc(CN(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)ccc1OC(F)F ZINC000448603976 873655838 /nfs/dbraw/zinc/65/58/38/873655838.db2.gz BHIPYNGVRAVGEB-UHFFFAOYSA-N -1 3 395.377 3.875 20 0 GHADHM Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)n1 ZINC001197301485 873692752 /nfs/dbraw/zinc/69/27/52/873692752.db2.gz AHCRACXHCRVYJO-NSHDSACASA-N -1 3 393.373 3.509 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])c(C)n1[C@H]1CCOC1 ZINC000527929955 873806115 /nfs/dbraw/zinc/80/61/15/873806115.db2.gz IMZNSCDUBWGBLG-ZDUSSCGKSA-N -1 3 379.254 3.787 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)cc(Br)c3)nc21 ZINC000464402064 873816628 /nfs/dbraw/zinc/81/66/28/873816628.db2.gz SQLPXDYCNCEZJM-UHFFFAOYSA-N -1 3 388.221 3.673 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001197459501 873842876 /nfs/dbraw/zinc/84/28/76/873842876.db2.gz LODKGKIOPJEBPW-VIFPVBQESA-N -1 3 399.373 3.662 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001197459501 873842891 /nfs/dbraw/zinc/84/28/91/873842891.db2.gz LODKGKIOPJEBPW-VIFPVBQESA-N -1 3 399.373 3.662 20 0 GHADHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC000804386732 882766712 /nfs/dbraw/zinc/76/67/12/882766712.db2.gz IDVWFRVMYWGHSD-UHFFFAOYSA-N -1 3 385.335 3.701 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccnc2OCC2CC2)c([O-])c1 ZINC001197668853 873957209 /nfs/dbraw/zinc/95/72/09/873957209.db2.gz BTFUHSIKJIAOKD-UHFFFAOYSA-N -1 3 384.432 3.784 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1cccnc1-n1cccn1 ZINC001197717008 873969814 /nfs/dbraw/zinc/96/98/14/873969814.db2.gz YGXYYQMXMZXLQN-UHFFFAOYSA-N -1 3 383.260 3.516 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528102793 874021021 /nfs/dbraw/zinc/02/10/21/874021021.db2.gz MSTUFOGEWKFXOA-DLBZAZTESA-N -1 3 394.240 3.944 20 0 GHADHM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134209398 882784927 /nfs/dbraw/zinc/78/49/27/882784927.db2.gz SXTAMEHUACPJKI-UHFFFAOYSA-N -1 3 394.349 3.555 20 0 GHADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)N3CCCCC3)ccc2Cl)on1 ZINC000448945538 874238699 /nfs/dbraw/zinc/23/86/99/874238699.db2.gz IRVHAOIRSMABGN-UHFFFAOYSA-N -1 3 377.828 3.605 20 0 GHADHM Cc1cccc([C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C(C)C)c1 ZINC000528288016 874336769 /nfs/dbraw/zinc/33/67/69/874336769.db2.gz IMGQZQJUMVNKIF-OAQYLSRUSA-N -1 3 395.503 3.565 20 0 GHADHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cnc2ccccc2c1 ZINC000121510017 874345108 /nfs/dbraw/zinc/34/51/08/874345108.db2.gz RPQBVSBAAPBDOE-GFCCVEGCSA-N -1 3 388.420 3.663 20 0 GHADHM CCc1nc2cc(S(=O)(=O)[N-][C@H](c3ccccc3)C(F)(F)F)ccc2o1 ZINC000541827078 874346506 /nfs/dbraw/zinc/34/65/06/874346506.db2.gz NZOPTFHTLBUEFR-MRXNPFEDSA-N -1 3 384.379 3.972 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2Cl)n1C ZINC001198343903 874364048 /nfs/dbraw/zinc/36/40/48/874364048.db2.gz NBGIAFPMICRESF-UHFFFAOYSA-N -1 3 399.097 3.599 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000177766774 882822980 /nfs/dbraw/zinc/82/29/80/882822980.db2.gz KKLFQNQKJYLMKC-KRWDZBQOSA-N -1 3 381.407 3.681 20 0 GHADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1C ZINC001198500924 874443914 /nfs/dbraw/zinc/44/39/14/874443914.db2.gz SBCWEKVEVFVUMQ-UHFFFAOYSA-N -1 3 389.702 3.593 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)S1 ZINC000541877503 874450094 /nfs/dbraw/zinc/45/00/94/874450094.db2.gz DLVNIAISACKXSA-JXXFODFXSA-N -1 3 398.528 3.606 20 0 GHADHM CCC(CC)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000104549064 874487345 /nfs/dbraw/zinc/48/73/45/874487345.db2.gz VLLZVNQRFUCAMP-UHFFFAOYSA-N -1 3 393.336 3.600 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Cl)c1 ZINC001198710358 874600896 /nfs/dbraw/zinc/60/08/96/874600896.db2.gz OFZFBGYWDSNOQQ-MRVPVSSYSA-N -1 3 379.240 3.576 20 0 GHADHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1C(F)(F)F ZINC000775913418 874655277 /nfs/dbraw/zinc/65/52/77/874655277.db2.gz DVDVQFKJZKZBFN-SOFGYWHQSA-N -1 3 378.276 3.562 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC[C@H]2CCCO2)c(C)c1 ZINC001198950123 874744906 /nfs/dbraw/zinc/74/49/06/874744906.db2.gz GETKULNCDGNHKH-OAHLLOKOSA-N -1 3 395.452 3.501 20 0 GHADHM COc1ccc2nc([N-]C(=O)c3cnc(Cl)c(Cl)c3Cl)nnc2c1 ZINC001199332738 874932030 /nfs/dbraw/zinc/93/20/30/874932030.db2.gz XHROUGCFQOEMMP-UHFFFAOYSA-N -1 3 384.610 3.641 20 0 GHADHM Cc1ccc(COC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1 ZINC000770995498 874986132 /nfs/dbraw/zinc/98/61/32/874986132.db2.gz LOWLCYZCGSATCH-UHFFFAOYSA-N -1 3 391.489 3.576 20 0 GHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000115910249 882884141 /nfs/dbraw/zinc/88/41/41/882884141.db2.gz WZSFEPUOSSXRLT-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1noc2nc(C)cc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)c12 ZINC000054331261 875098116 /nfs/dbraw/zinc/09/81/16/875098116.db2.gz CXRRJJBQDLKWNK-SNVBAGLBSA-N -1 3 398.444 3.672 20 0 GHADHM CC(C)c1nocc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000528829200 875109509 /nfs/dbraw/zinc/10/95/09/875109509.db2.gz WBUXRCRSFNMAFS-UHFFFAOYSA-N -1 3 391.855 3.648 20 0 GHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](c2ccsc2)O1 ZINC000528824156 875129351 /nfs/dbraw/zinc/12/93/51/875129351.db2.gz FDGVTTJJSFVRDP-ZUZCIYMTSA-N -1 3 382.279 3.818 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)n[n-]2)o1 ZINC000771277921 875159198 /nfs/dbraw/zinc/15/91/98/875159198.db2.gz CNBZCBMUFHVFQR-UHFFFAOYSA-N -1 3 375.425 3.534 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)[n-]n2)o1 ZINC000771277921 875159199 /nfs/dbraw/zinc/15/91/99/875159199.db2.gz CNBZCBMUFHVFQR-UHFFFAOYSA-N -1 3 375.425 3.534 20 0 GHADHM COC(=O)c1nc(C(=O)[N-]c2ncnc3scc(-c4ccccc4)c32)cs1 ZINC001273820416 875298762 /nfs/dbraw/zinc/29/87/62/875298762.db2.gz IQEZGSOQTQOLQM-UHFFFAOYSA-N -1 3 396.453 3.854 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1nnc2ccccc2c1[O-])c1ccco1 ZINC000771557420 875332060 /nfs/dbraw/zinc/33/20/60/875332060.db2.gz WEBWOLOWXNZVGL-AWEZNQCLSA-N -1 3 379.416 3.586 20 0 GHADHM Cc1ncc(CNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c(=O)[n-]1 ZINC000542384797 875482554 /nfs/dbraw/zinc/48/25/54/875482554.db2.gz YPWPWGGFTPXJAC-SFHVURJKSA-N -1 3 383.835 3.581 20 0 GHADHM Cc1cc(C)cc(NC(=S)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1 ZINC001201203228 875560279 /nfs/dbraw/zinc/56/02/79/875560279.db2.gz UPRBEKQULBZKNP-HNNXBMFYSA-N -1 3 377.510 3.516 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000542440196 875563980 /nfs/dbraw/zinc/56/39/80/875563980.db2.gz GYOMWMXDUGXPDK-OAHLLOKOSA-N -1 3 376.460 3.510 20 0 GHADHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3F)nc12 ZINC001201279362 875587030 /nfs/dbraw/zinc/58/70/30/875587030.db2.gz IVADCLZCYIQGCF-UHFFFAOYSA-N -1 3 388.251 3.567 20 0 GHADHM COC[C@H](Cc1ccccc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000475740522 882959770 /nfs/dbraw/zinc/95/97/70/882959770.db2.gz BKFHCBZRUKTSFH-INIZCTEOSA-N -1 3 377.444 3.771 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(F)c1Br ZINC001201792306 875859544 /nfs/dbraw/zinc/85/95/44/875859544.db2.gz MINOTNFEMVLPML-WCQYABFASA-N -1 3 388.233 3.562 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1cccc(F)c1Br ZINC001201786701 875882475 /nfs/dbraw/zinc/88/24/75/875882475.db2.gz DMGGSBBSPIHBNT-CYBMUJFWSA-N -1 3 388.233 3.693 20 0 GHADHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1ncccc1OCc1ccccc1 ZINC001201898317 875914403 /nfs/dbraw/zinc/91/44/03/875914403.db2.gz OKWPJXJQYLFUCA-UHFFFAOYSA-N -1 3 398.528 3.908 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201936066 875929015 /nfs/dbraw/zinc/92/90/15/875929015.db2.gz KCVIKRAIHNVAHY-QWHCGFSZSA-N -1 3 394.212 3.674 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000450175271 876040968 /nfs/dbraw/zinc/04/09/68/876040968.db2.gz ONKASYFPZYMRDT-LLVKDONJSA-N -1 3 388.386 3.955 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000776255236 876063221 /nfs/dbraw/zinc/06/32/21/876063221.db2.gz TXNCONZMLZRRRB-LBPRGKRZSA-N -1 3 389.328 3.539 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)c(C)c2)cc1OC ZINC000123042814 882993308 /nfs/dbraw/zinc/99/33/08/882993308.db2.gz FQNQIJQJSNWCAK-UHFFFAOYSA-N -1 3 382.869 3.671 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000179499525 883003693 /nfs/dbraw/zinc/00/36/93/883003693.db2.gz OZYPEKLNPDFNAQ-JOCHJYFZSA-N -1 3 395.459 3.903 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000179524812 883006544 /nfs/dbraw/zinc/00/65/44/883006544.db2.gz JRZHPAAOOBOECV-XCLFUZPHSA-N -1 3 391.427 3.774 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000529507783 876246327 /nfs/dbraw/zinc/24/63/27/876246327.db2.gz YFZZWLCQIPPHGE-MRXNPFEDSA-N -1 3 380.282 3.576 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)o2)cc1 ZINC001129611384 883020312 /nfs/dbraw/zinc/02/03/12/883020312.db2.gz YJMMMLIGDURIND-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)c2)n1 ZINC000173565069 876476006 /nfs/dbraw/zinc/47/60/06/876476006.db2.gz FIGPODBOSASIGE-HXUWFJFHSA-N -1 3 389.455 3.558 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N1CCc2sccc2C1 ZINC000786130106 876498674 /nfs/dbraw/zinc/49/86/74/876498674.db2.gz AOOLKOUVLQKNEF-NSHDSACASA-N -1 3 387.482 3.799 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000450524387 876568415 /nfs/dbraw/zinc/56/84/15/876568415.db2.gz BVFDEMTYYMOUCV-QGZVFWFLSA-N -1 3 383.341 3.693 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@H](C)C(F)F ZINC000786513760 876763665 /nfs/dbraw/zinc/76/36/65/876763665.db2.gz KJSOMTVCGTWAKN-LLVKDONJSA-N -1 3 387.379 3.745 20 0 GHADHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Sc2ccccc2)n1 ZINC000134865480 883079015 /nfs/dbraw/zinc/07/90/15/883079015.db2.gz QANIATSKWNPOOC-UHFFFAOYSA-N -1 3 379.367 3.930 20 0 GHADHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Sc2ccccc2)n1 ZINC000134865480 883079030 /nfs/dbraw/zinc/07/90/30/883079030.db2.gz QANIATSKWNPOOC-UHFFFAOYSA-N -1 3 379.367 3.930 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)ccc1F ZINC000786874487 876997360 /nfs/dbraw/zinc/99/73/60/876997360.db2.gz WUOHRWQZDYJAHC-UHFFFAOYSA-N -1 3 378.469 3.871 20 0 GHADHM CON(CC(C)(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000804583587 883086513 /nfs/dbraw/zinc/08/65/13/883086513.db2.gz NIYWOKJAMJGWPS-UHFFFAOYSA-N -1 3 394.468 3.676 20 0 GHADHM O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136700411 877313748 /nfs/dbraw/zinc/31/37/48/877313748.db2.gz IRRDPMKMFCDNPD-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000551511139 877330971 /nfs/dbraw/zinc/33/09/71/877330971.db2.gz YLMUNYRZSUPHID-UHFFFAOYSA-N -1 3 395.834 3.694 20 0 GHADHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000610058280 877342009 /nfs/dbraw/zinc/34/20/09/877342009.db2.gz ZCUSPHIGRNKNNQ-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)sc1C ZINC000551516510 877351658 /nfs/dbraw/zinc/35/16/58/877351658.db2.gz LLZWSQVFCZLICI-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1OC ZINC000175033788 877420598 /nfs/dbraw/zinc/42/05/98/877420598.db2.gz MHLGGRSYWAMGAB-SNAWJCMRSA-N -1 3 392.452 3.638 20 0 GHADHM COc1cccc(C[C@H]2CCCCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000530277447 877433310 /nfs/dbraw/zinc/43/33/10/877433310.db2.gz UTXHDYKWPXKHBS-LJQANCHMSA-N -1 3 397.519 3.754 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000851153185 877449160 /nfs/dbraw/zinc/44/91/60/877449160.db2.gz HOZLNVFDIWUYER-AAEUAGOBSA-N -1 3 379.400 3.584 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCCC(C)(C)C3)cs2)c1 ZINC000530340105 877575930 /nfs/dbraw/zinc/57/59/30/877575930.db2.gz PJEKDRPJZVPSCF-UHFFFAOYSA-N -1 3 387.505 3.601 20 0 GHADHM CCOc1c(OC)cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1OC ZINC000477421531 877596239 /nfs/dbraw/zinc/59/62/39/877596239.db2.gz VABRJHQKZCSNDN-QGOAFFKASA-N -1 3 392.455 3.969 20 0 GHADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1nnc2ccccc2c1[O-] ZINC000109937535 877627338 /nfs/dbraw/zinc/62/73/38/877627338.db2.gz ZFHUFORADGIDMJ-UHFFFAOYSA-N -1 3 388.452 3.863 20 0 GHADHM CC(C)[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCCC[C@H]1C ZINC000787847069 877666068 /nfs/dbraw/zinc/66/60/68/877666068.db2.gz ZLNCRAFDPKCNKN-FOIQADDNSA-N -1 3 379.472 3.823 20 0 GHADHM C[C@H](CNC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787849917 877671735 /nfs/dbraw/zinc/67/17/35/877671735.db2.gz MNUXDZPGWYKEDF-CVEARBPZSA-N -1 3 387.451 3.706 20 0 GHADHM C[C@H](CO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21)NC(=O)OC(C)(C)C ZINC000787910092 877708634 /nfs/dbraw/zinc/70/86/34/877708634.db2.gz HYQJQRZBJJHWAL-UONOGXRCSA-N -1 3 375.469 3.623 20 0 GHADHM COC(=O)c1sc2c(c1Br)CN(Cc1ccc([O-])c(F)c1)C2 ZINC001183094140 912277779 /nfs/dbraw/zinc/27/77/79/912277779.db2.gz HNQSPTQCIMRBAT-UHFFFAOYSA-N -1 3 386.242 3.658 20 0 GHADHM CCOc1ccccc1N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788264991 877966100 /nfs/dbraw/zinc/96/61/00/877966100.db2.gz YPWJBXWIJRTINM-UHFFFAOYSA-N -1 3 382.485 3.968 20 0 GHADHM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788304899 877982985 /nfs/dbraw/zinc/98/29/85/877982985.db2.gz CLOPXVSABKZKOM-MRXNPFEDSA-N -1 3 395.528 3.547 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000175945791 878008012 /nfs/dbraw/zinc/00/80/12/878008012.db2.gz XHJMPEVPCAKHMB-MRXNPFEDSA-N -1 3 386.455 3.822 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000175957257 878012992 /nfs/dbraw/zinc/01/29/92/878012992.db2.gz SUCYSLPMKDJOAJ-UHFFFAOYSA-N -1 3 391.456 3.596 20 0 GHADHM COC(=O)C(C)(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000615769909 878103077 /nfs/dbraw/zinc/10/30/77/878103077.db2.gz MSBPYFPOAQGICR-HXUWFJFHSA-N -1 3 387.451 3.911 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCCCCSC)c(C)c1Cl ZINC000788660885 878255350 /nfs/dbraw/zinc/25/53/50/878255350.db2.gz CHRXCUPLTANVTL-UHFFFAOYSA-N -1 3 399.987 3.698 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(F)c2)sc1Cl ZINC000788902153 878439058 /nfs/dbraw/zinc/43/90/58/878439058.db2.gz BZRQZSQUSSATRN-NSHDSACASA-N -1 3 384.281 3.514 20 0 GHADHM CCC1(CC)CCC([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000788932817 878481935 /nfs/dbraw/zinc/48/19/35/878481935.db2.gz BTAYTGXKJQOEPD-UHFFFAOYSA-N -1 3 388.917 3.549 20 0 GHADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000180107503 878497543 /nfs/dbraw/zinc/49/75/43/878497543.db2.gz SVCSDBXWJVQPAD-UHFFFAOYSA-N -1 3 389.886 3.535 20 0 GHADHM C[C@H](CCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])OCc1ccccc1 ZINC000789024985 878548858 /nfs/dbraw/zinc/54/88/58/878548858.db2.gz LGFRTHBYZHFLBK-YLJYHZDGSA-N -1 3 397.471 3.535 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000530834399 878574862 /nfs/dbraw/zinc/57/48/62/878574862.db2.gz ZKRLGCHAZFKATM-UHFFFAOYSA-N -1 3 391.818 3.987 20 0 GHADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000460822469 878624803 /nfs/dbraw/zinc/62/48/03/878624803.db2.gz DZKDNAQDBOUWMW-UHFFFAOYSA-N -1 3 376.478 3.566 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)c([O-])c1 ZINC000616170534 878626063 /nfs/dbraw/zinc/62/60/63/878626063.db2.gz NWZKGKARMZMMRK-OAHLLOKOSA-N -1 3 377.481 3.623 20 0 GHADHM COC[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180198041 878645535 /nfs/dbraw/zinc/64/55/35/878645535.db2.gz BXQAWUXOUWRXHR-SNVBAGLBSA-N -1 3 393.119 3.776 20 0 GHADHM CCC(C)(C)OCc1cccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c1C ZINC000530922207 878741986 /nfs/dbraw/zinc/74/19/86/878741986.db2.gz NHZIOSMIBQCRFM-UHFFFAOYSA-N -1 3 384.476 3.774 20 0 GHADHM Cc1cc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000530906167 878749307 /nfs/dbraw/zinc/74/93/07/878749307.db2.gz ONZWAZIKZBWUBD-UHFFFAOYSA-N -1 3 397.909 3.688 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)o1 ZINC000451955782 878765576 /nfs/dbraw/zinc/76/55/76/878765576.db2.gz FQFLWNRJRRMSEN-UHFFFAOYSA-N -1 3 393.690 3.522 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000451956664 878767265 /nfs/dbraw/zinc/76/72/65/878767265.db2.gz HUAUEAXHTOZMCQ-UHFFFAOYSA-N -1 3 382.791 3.778 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(OC)c2OC2CCCC2)s1 ZINC000460949566 878846637 /nfs/dbraw/zinc/84/66/37/878846637.db2.gz ZIGSJZYLENECCE-UHFFFAOYSA-N -1 3 396.534 3.514 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccc(F)cc3)c2)s1 ZINC000460966429 878881737 /nfs/dbraw/zinc/88/17/37/878881737.db2.gz WQPXMRITZMMXPO-UHFFFAOYSA-N -1 3 393.465 3.510 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3[C@@H](C)C3(F)F)cc2)cc1 ZINC000460997145 878969368 /nfs/dbraw/zinc/96/93/68/878969368.db2.gz SKDYDAKBXKAZGZ-MLGOLLRUSA-N -1 3 380.416 3.636 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2[C@@H](C)C2(F)F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000461006607 878988768 /nfs/dbraw/zinc/98/87/68/878988768.db2.gz WJXLFOJOVKYWOA-BDJLRTHQSA-N -1 3 398.406 3.775 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(OC)cc2Cl)c(C(=O)OCC)[n-]1 ZINC000616917283 879265342 /nfs/dbraw/zinc/26/53/42/879265342.db2.gz SHCQIJNMRDWGPV-UHFFFAOYSA-N -1 3 379.844 3.843 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789806612 879286861 /nfs/dbraw/zinc/28/68/61/879286861.db2.gz OFWSUWCWSYSFAC-OAHLLOKOSA-N -1 3 392.496 3.653 20 0 GHADHM CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000531205834 879322998 /nfs/dbraw/zinc/32/29/98/879322998.db2.gz WAHQGHVDYDKEJO-UTKZUKDTSA-N -1 3 384.480 3.825 20 0 GHADHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)sc1-c1cccc(Cl)c1 ZINC000179058432 879323281 /nfs/dbraw/zinc/32/32/81/879323281.db2.gz YDYUETNQQQSPDM-UHFFFAOYSA-N -1 3 385.876 3.659 20 0 GHADHM Cc1ncsc1CN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[S-])C2 ZINC001272014114 879412462 /nfs/dbraw/zinc/41/24/62/879412462.db2.gz VURZGWNVFWKIFX-HXUWFJFHSA-N -1 3 387.574 3.869 20 0 GHADHM O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)[N-]OCc1cccnc1 ZINC000152569084 879412793 /nfs/dbraw/zinc/41/27/93/879412793.db2.gz YUTOGMQVPWDYOS-UHFFFAOYSA-N -1 3 381.379 3.891 20 0 GHADHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc2)c1C ZINC000461221259 879414278 /nfs/dbraw/zinc/41/42/78/879414278.db2.gz RLXGZDUYXFCUMP-UHFFFAOYSA-N -1 3 381.379 3.707 20 0 GHADHM CC(C)C[C@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCCCC1=O ZINC000531267116 879423527 /nfs/dbraw/zinc/42/35/27/879423527.db2.gz MSTVMQJOWJWXKF-CQSZACIVSA-N -1 3 383.286 3.520 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CCCCC1 ZINC000030475866 879432201 /nfs/dbraw/zinc/43/22/01/879432201.db2.gz ZNAXIWHCKYXPFU-UHFFFAOYSA-N -1 3 384.517 3.697 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1OC ZINC000617218046 879486934 /nfs/dbraw/zinc/48/69/34/879486934.db2.gz GMXAFIYYYQATJC-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1OC(C)C ZINC000493536914 879505894 /nfs/dbraw/zinc/50/58/94/879505894.db2.gz NTMANZJGEFWSFO-UHFFFAOYSA-N -1 3 396.422 3.660 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)cc(OC)c1[O-] ZINC000493540022 879526451 /nfs/dbraw/zinc/52/64/51/879526451.db2.gz QJTDENMGVDPFHM-MSOLQXFVSA-N -1 3 385.460 3.838 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)cc1)c1cccc(Cl)c1Br ZINC000493573879 879527059 /nfs/dbraw/zinc/52/70/59/879527059.db2.gz RAIMFAKZVOQRBX-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2ccsc2Cl)[nH][n-]1 ZINC000493615818 879562153 /nfs/dbraw/zinc/56/21/53/879562153.db2.gz AUFSDNCDORQKHT-UHFFFAOYSA-N -1 3 398.271 3.893 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1nccs1 ZINC000493883287 879695764 /nfs/dbraw/zinc/69/57/64/879695764.db2.gz NQYGUMRWOVBGHL-VIFPVBQESA-N -1 3 395.731 3.989 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(C3CCCCC3)cs2)c1 ZINC000531359107 879696289 /nfs/dbraw/zinc/69/62/89/879696289.db2.gz LSZPFHXZXIRIOS-UHFFFAOYSA-N -1 3 387.505 3.827 20 0 GHADHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493962022 879777546 /nfs/dbraw/zinc/77/75/46/879777546.db2.gz SHOGEUAGYXHRCC-VIFPVBQESA-N -1 3 384.723 3.584 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2csc(-c3cccs3)n2)cc1OC ZINC000112336310 879893548 /nfs/dbraw/zinc/89/35/48/879893548.db2.gz ATSMZWZXXFGTQB-UHFFFAOYSA-N -1 3 390.486 3.679 20 0 GHADHM COC[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000790655147 879919674 /nfs/dbraw/zinc/91/96/74/879919674.db2.gz IVMJEYRAKDOIDP-AWEZNQCLSA-N -1 3 381.341 3.571 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4ccccc4)ns3)nc21 ZINC000494127117 879921816 /nfs/dbraw/zinc/92/18/16/879921816.db2.gz HTOCBFZCRGHAPM-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)ccc21 ZINC000854581366 879922991 /nfs/dbraw/zinc/92/29/91/879922991.db2.gz HXDANZRRMIFBCF-UHFFFAOYSA-N -1 3 394.431 3.818 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3c[nH]c4ccc(C)cc34)nc21 ZINC000494103730 879925110 /nfs/dbraw/zinc/92/51/10/879925110.db2.gz YYMOCYIVOJQGSI-UHFFFAOYSA-N -1 3 376.416 3.711 20 0 GHADHM CCc1[nH]c(C(=O)Nc2c([O-])ccc(Br)c2C)c(C)c1C(=O)OC ZINC000452756510 879988476 /nfs/dbraw/zinc/98/84/76/879988476.db2.gz PAHYNOUSIYVTOS-UHFFFAOYSA-N -1 3 395.253 3.701 20 0 GHADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2sccc2nc1Cl ZINC000854666418 879990946 /nfs/dbraw/zinc/99/09/46/879990946.db2.gz ATPUGECDYNCLFX-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM COC(=O)c1cn(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c2ccccc12 ZINC000531618131 880230027 /nfs/dbraw/zinc/23/00/27/880230027.db2.gz JHMQXVYRJIDDDR-UHFFFAOYSA-N -1 3 392.333 3.791 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)c([O-])c1 ZINC000791161681 880232877 /nfs/dbraw/zinc/23/28/77/880232877.db2.gz RQNCQBKTJKVECY-UHFFFAOYSA-N -1 3 388.439 3.789 20 0 GHADHM C[C@@H]1CN(Cc2cccc(CNC(=O)c3cc4sccc4c([O-])c3)c2)CCO1 ZINC000791332726 880337528 /nfs/dbraw/zinc/33/75/28/880337528.db2.gz FHZPVVKMKQQCRK-OAHLLOKOSA-N -1 3 396.512 3.758 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000791371775 880353474 /nfs/dbraw/zinc/35/34/74/880353474.db2.gz WGDWMJMYILYDNH-CQSZACIVSA-N -1 3 376.478 3.640 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cc1F)c1nccs1 ZINC000184891871 880409438 /nfs/dbraw/zinc/40/94/38/880409438.db2.gz VQSOLTNWJPMOTJ-CYBMUJFWSA-N -1 3 393.303 3.648 20 0 GHADHM CCc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)c1[O-] ZINC001170155694 880452969 /nfs/dbraw/zinc/45/29/69/880452969.db2.gz WTUALWKLJXAGJL-UHFFFAOYSA-N -1 3 382.460 3.978 20 0 GHADHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)OC(C)C ZINC000185189382 880501798 /nfs/dbraw/zinc/50/17/98/880501798.db2.gz IDPCRGGBIJCPCM-LJQANCHMSA-N -1 3 399.459 3.559 20 0 GHADHM C[C@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CC1(F)F ZINC000643279712 912601390 /nfs/dbraw/zinc/60/13/90/912601390.db2.gz DPODORFSNFTCMJ-CYBMUJFWSA-N -1 3 382.168 3.581 20 0 GHADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cn(C)nc2C(F)(F)F)s1 ZINC000791882358 880754763 /nfs/dbraw/zinc/75/47/63/880754763.db2.gz KRYKFUMNGVKNPT-UHFFFAOYSA-N -1 3 385.346 3.657 20 0 GHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cc(OC(F)F)n(C)n3)n2)cc1 ZINC000186430420 880884959 /nfs/dbraw/zinc/88/49/59/880884959.db2.gz KXCLAIYPYQJMHK-UHFFFAOYSA-N -1 3 397.432 3.585 20 0 GHADHM Cn1nc(C(F)F)c2cc(C(=O)Nc3nc(-c4cccs4)n[n-]3)sc21 ZINC000792127944 880929337 /nfs/dbraw/zinc/92/93/37/880929337.db2.gz BPXCJHDPCQBNLO-UHFFFAOYSA-N -1 3 380.405 3.671 20 0 GHADHM CC[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275208172 912625817 /nfs/dbraw/zinc/62/58/17/912625817.db2.gz CQSRPPWOZNPZIL-UKRRQHHQSA-N -1 3 395.341 3.672 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000792229913 880991921 /nfs/dbraw/zinc/99/19/21/880991921.db2.gz BQVNLCYLONMSKN-CTNGQTDRSA-N -1 3 377.440 3.510 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cccc(C)c2C)[n-]c1-c1ccccc1 ZINC000186845110 881002607 /nfs/dbraw/zinc/00/26/07/881002607.db2.gz YYLWPUOPOURKBH-INIZCTEOSA-N -1 3 397.500 3.803 20 0 GHADHM CCc1cccc(C)c1NC(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186846659 881003303 /nfs/dbraw/zinc/00/33/03/881003303.db2.gz HWSBLHRGTMVBPQ-UHFFFAOYSA-N -1 3 397.500 3.668 20 0 GHADHM CCc1cccc(C)c1NC(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186846659 881003321 /nfs/dbraw/zinc/00/33/21/881003321.db2.gz HWSBLHRGTMVBPQ-UHFFFAOYSA-N -1 3 397.500 3.668 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000119766171 881142562 /nfs/dbraw/zinc/14/25/62/881142562.db2.gz HWXJBVIXXWIBRY-CQSZACIVSA-N -1 3 399.882 3.828 20 0 GHADHM CON(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856340704 881148327 /nfs/dbraw/zinc/14/83/27/881148327.db2.gz QBFZREJNLLMUDF-NSHDSACASA-N -1 3 383.370 3.512 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000119796989 881158179 /nfs/dbraw/zinc/15/81/79/881158179.db2.gz PRWJSUZHEOAZOU-UHFFFAOYSA-N -1 3 392.786 3.983 20 0 GHADHM CC[C@H](c1ccncc1)N(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291858 881161212 /nfs/dbraw/zinc/16/12/12/881161212.db2.gz FWBHHEOCZILTLI-CYBMUJFWSA-N -1 3 389.809 3.921 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(Cl)c3)n2)cc1F ZINC000532112669 881173779 /nfs/dbraw/zinc/17/37/79/881173779.db2.gz FSGOCRGGMOBJEI-NSHDSACASA-N -1 3 395.843 3.877 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)c(C(=O)OCC)[n-]1 ZINC000792556390 881191036 /nfs/dbraw/zinc/19/10/36/881191036.db2.gz UFUXRJLOPDHTBL-UHFFFAOYSA-N -1 3 385.251 3.883 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)c2ccccc12 ZINC000919958359 881268240 /nfs/dbraw/zinc/26/82/40/881268240.db2.gz CRKMDXCIGHPIFY-UHFFFAOYSA-N -1 3 394.456 3.620 20 0 GHADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1F ZINC000058176206 881333004 /nfs/dbraw/zinc/33/30/04/881333004.db2.gz NYKHQBKOTKIDJH-CYBMUJFWSA-N -1 3 388.917 3.656 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129727671 883136113 /nfs/dbraw/zinc/13/61/13/883136113.db2.gz HAHVTAFDUBTORF-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129727671 883136121 /nfs/dbraw/zinc/13/61/21/883136121.db2.gz HAHVTAFDUBTORF-CYBMUJFWSA-N -1 3 383.427 3.844 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129729526 883137812 /nfs/dbraw/zinc/13/78/12/883137812.db2.gz YKEKWGODWHOAAF-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129729526 883137817 /nfs/dbraw/zinc/13/78/17/883137817.db2.gz YKEKWGODWHOAAF-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(O)cc2)c([O-])c1 ZINC001183602491 912677207 /nfs/dbraw/zinc/67/72/07/912677207.db2.gz HNWXJOURVXSALU-UHFFFAOYSA-N -1 3 387.432 3.849 20 0 GHADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)c1 ZINC000064374555 883237369 /nfs/dbraw/zinc/23/73/69/883237369.db2.gz WYOULECTHPDZBN-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000858838038 883393438 /nfs/dbraw/zinc/39/34/38/883393438.db2.gz YDMKIXRYNICVJZ-QGZVFWFLSA-N -1 3 388.508 3.952 20 0 GHADHM CC1(C)OC(=O)c2c1cccc2C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC001130060444 883554262 /nfs/dbraw/zinc/55/42/62/883554262.db2.gz JRILOJHIWLRJHA-UHFFFAOYSA-N -1 3 397.431 3.926 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000805083381 883599620 /nfs/dbraw/zinc/59/96/20/883599620.db2.gz VXHDKCGRMGCDQM-ZDUSSCGKSA-N -1 3 382.766 3.606 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(Cl)cc1Cl ZINC000747229189 883622539 /nfs/dbraw/zinc/62/25/39/883622539.db2.gz YYQNDSDSFIGTTI-JTQLQIEISA-N -1 3 388.272 3.820 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C2SCCCS2)cc1 ZINC000127509645 883712750 /nfs/dbraw/zinc/71/27/50/883712750.db2.gz MWFOHSIANLDVEF-UHFFFAOYSA-N -1 3 383.502 3.988 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C2SCCCS2)cc1 ZINC000127509645 883712768 /nfs/dbraw/zinc/71/27/68/883712768.db2.gz MWFOHSIANLDVEF-UHFFFAOYSA-N -1 3 383.502 3.988 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000477143745 883786495 /nfs/dbraw/zinc/78/64/95/883786495.db2.gz YFGFTHCUUMDCMY-UHFFFAOYSA-N -1 3 379.532 3.869 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@]3(CO)C[C@H](C)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000477156613 883818041 /nfs/dbraw/zinc/81/80/41/883818041.db2.gz MVQLWBXYBYYCPH-JLCFBVMHSA-N -1 3 398.507 3.856 20 0 GHADHM Cn1[n-]c(CN(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)nc1=O ZINC000542508201 883863268 /nfs/dbraw/zinc/86/32/68/883863268.db2.gz XUCLKZHLZSDCDF-UHFFFAOYSA-N -1 3 381.307 3.502 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000190055560 884045551 /nfs/dbraw/zinc/04/55/51/884045551.db2.gz FEBUMIZEFWOLAR-INIZCTEOSA-N -1 3 394.475 3.634 20 0 GHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000130130970 884211239 /nfs/dbraw/zinc/21/12/39/884211239.db2.gz XXHYHIHDBFSIRJ-UHFFFAOYSA-N -1 3 389.452 3.657 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000263150127 884225463 /nfs/dbraw/zinc/22/54/63/884225463.db2.gz FHRFCYAUOKUQNU-LPWJVIDDSA-N -1 3 387.307 3.602 20 0 GHADHM O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cc([O-])ccc1Cl ZINC000476237993 884305492 /nfs/dbraw/zinc/30/54/92/884305492.db2.gz XRQNCEVHTYDLEC-SNVBAGLBSA-N -1 3 390.650 3.522 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1Cl)Nc1cccc2ccccc21 ZINC000102776563 884440804 /nfs/dbraw/zinc/44/08/04/884440804.db2.gz QGYHREVSFJZULZ-UHFFFAOYSA-N -1 3 388.876 3.551 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)oc21 ZINC000898218048 884636058 /nfs/dbraw/zinc/63/60/58/884636058.db2.gz XKVBTFRQAMCPGK-JTQLQIEISA-N -1 3 390.237 3.562 20 0 GHADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263327127 884666729 /nfs/dbraw/zinc/66/67/29/884666729.db2.gz KUABNJVZZDYKGB-WZRBSPASSA-N -1 3 383.370 3.859 20 0 GHADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000556372556 884677124 /nfs/dbraw/zinc/67/71/24/884677124.db2.gz WADOZTRFXQXHTD-UHFFFAOYSA-N -1 3 395.834 3.523 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1OC ZINC000556439513 884930278 /nfs/dbraw/zinc/93/02/78/884930278.db2.gz WAQQWGGLCQRJPX-UHFFFAOYSA-N -1 3 386.473 3.669 20 0 GHADHM COc1ccc(CN(C(=O)COC(=O)c2cc3ccsc3[n-]2)C2CC2)cc1 ZINC000914889328 885111395 /nfs/dbraw/zinc/11/13/95/885111395.db2.gz FYYXPHUBCMVVRE-UHFFFAOYSA-N -1 3 384.457 3.586 20 0 GHADHM CCN(Cc1ccc(N(C)c2ccccc2)nc1)Cc1c([O-])c(C)ncc1CO ZINC001183927753 912915154 /nfs/dbraw/zinc/91/51/54/912915154.db2.gz CJRVYIKERLDUIN-UHFFFAOYSA-N -1 3 392.503 3.773 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(Cc3ccccc3)ns2)nnn1-c1ccc(C)cc1 ZINC000107198807 885261914 /nfs/dbraw/zinc/26/19/14/885261914.db2.gz YZSVCRYSPMJUMW-UHFFFAOYSA-N -1 3 390.472 3.579 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccccc3Cl)n[n-]2)o1 ZINC000919324871 885333152 /nfs/dbraw/zinc/33/31/52/885333152.db2.gz IOUPYDJKVIWNAD-GFCCVEGCSA-N -1 3 387.823 3.666 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccccc3Cl)[n-]n2)o1 ZINC000919324871 885333173 /nfs/dbraw/zinc/33/31/73/885333173.db2.gz IOUPYDJKVIWNAD-GFCCVEGCSA-N -1 3 387.823 3.666 20 0 GHADHM COc1ccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)C(C)C)cc1 ZINC000919324905 885333708 /nfs/dbraw/zinc/33/37/08/885333708.db2.gz JYRSLKQRZGBDGI-LJQANCHMSA-N -1 3 397.431 3.807 20 0 GHADHM COc1ccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)C(C)C)cc1 ZINC000919324905 885333728 /nfs/dbraw/zinc/33/37/28/885333728.db2.gz JYRSLKQRZGBDGI-LJQANCHMSA-N -1 3 397.431 3.807 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n[n-]2)o1 ZINC000919325396 885334731 /nfs/dbraw/zinc/33/47/31/885334731.db2.gz MYDWRINNADSQIY-QWHCGFSZSA-N -1 3 385.395 3.540 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)[n-]n2)o1 ZINC000919325396 885334743 /nfs/dbraw/zinc/33/47/43/885334743.db2.gz MYDWRINNADSQIY-QWHCGFSZSA-N -1 3 385.395 3.540 20 0 GHADHM Cc1cccc([O-])c1C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000861330397 885401985 /nfs/dbraw/zinc/40/19/85/885401985.db2.gz JHGAROIONAXNQI-UHFFFAOYSA-N -1 3 395.377 3.723 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC[C@@H]3CCCO3)cc2)cc1 ZINC000046304266 885539793 /nfs/dbraw/zinc/53/97/93/885539793.db2.gz FAHPLZZTYUZAOO-SFHVURJKSA-N -1 3 388.489 3.694 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)cc1Cl ZINC000104753563 885603621 /nfs/dbraw/zinc/60/36/21/885603621.db2.gz CZYMOJFVPWPQPZ-MRXNPFEDSA-N -1 3 396.871 3.712 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1ccco1 ZINC000476404635 885629602 /nfs/dbraw/zinc/62/96/02/885629602.db2.gz YMWFPJJWNDLPCZ-GOSISDBHSA-N -1 3 375.421 3.804 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000807811379 885734042 /nfs/dbraw/zinc/73/40/42/885734042.db2.gz YXRQYGBFTGKVGA-QFIPXVFZSA-N -1 3 388.508 3.818 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1OC ZINC000131356985 885956921 /nfs/dbraw/zinc/95/69/21/885956921.db2.gz JVJUQEGKNOSFJN-UHFFFAOYSA-N -1 3 393.509 3.708 20 0 GHADHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000915186972 885962340 /nfs/dbraw/zinc/96/23/40/885962340.db2.gz HYAXKQUUMRJYQI-DHZHZOJOSA-N -1 3 389.473 3.689 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c1 ZINC000055634864 886124466 /nfs/dbraw/zinc/12/44/66/886124466.db2.gz CJDLCLLZRYXYPP-LLVKDONJSA-N -1 3 396.365 3.567 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000919711328 886177271 /nfs/dbraw/zinc/17/72/71/886177271.db2.gz JCIZEQLXVSACNA-HNNXBMFYSA-N -1 3 382.847 3.865 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C(=O)Nc1cncc([O-])c1 ZINC001184143120 913027707 /nfs/dbraw/zinc/02/77/07/913027707.db2.gz CAMZZHXHQHVQGE-VQIMIIECSA-N -1 3 397.475 3.909 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc(Cl)c1Cl ZINC000762527091 886320748 /nfs/dbraw/zinc/32/07/48/886320748.db2.gz VBJLVYSSCQOEEL-GBIKHYSHSA-N -1 3 384.375 3.651 20 0 GHADHM O=c1[n-]c(SC[C@@H]2CCC[C@@H](O)C2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000644101498 913038280 /nfs/dbraw/zinc/03/82/80/913038280.db2.gz MJDZOLFSEPSDHF-BXUZGUMPSA-N -1 3 390.896 3.818 20 0 GHADHM O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1c[n-]c2ccccc2c1=O ZINC000556878558 886415294 /nfs/dbraw/zinc/41/52/94/886415294.db2.gz LONJDMIXLPYEOW-RBUKOAKNSA-N -1 3 384.382 3.536 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1c(C)noc1C ZINC000119356265 886570199 /nfs/dbraw/zinc/57/01/99/886570199.db2.gz WUOIKSKQYKUEML-GFCCVEGCSA-N -1 3 391.262 3.623 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000762633292 886573157 /nfs/dbraw/zinc/57/31/57/886573157.db2.gz UGAGHIMDWQHKNH-NHYWBVRUSA-N -1 3 391.386 3.635 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(F)cc1F ZINC000640290753 886626543 /nfs/dbraw/zinc/62/65/43/886626543.db2.gz SCSZIEOSTMAGBJ-ZETCQYMHSA-N -1 3 382.720 3.682 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3C)n[n-]c21 ZINC000808675267 886670705 /nfs/dbraw/zinc/67/07/05/886670705.db2.gz AXKLRXVTPXZBJZ-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3C)[n-]nc21 ZINC000808675267 886670714 /nfs/dbraw/zinc/67/07/14/886670714.db2.gz AXKLRXVTPXZBJZ-LLVKDONJSA-N -1 3 387.823 3.717 20 0 GHADHM COc1ccc(-c2noc([C@H](C)OC(=O)c3n[n-]c4c3cccc4OC)n2)cc1 ZINC000808675905 886672947 /nfs/dbraw/zinc/67/29/47/886672947.db2.gz XFMPOLYYWBKYST-NSHDSACASA-N -1 3 394.387 3.548 20 0 GHADHM COc1ccc(-c2noc([C@H](C)OC(=O)c3[n-]nc4c3cccc4OC)n2)cc1 ZINC000808675905 886672958 /nfs/dbraw/zinc/67/29/58/886672958.db2.gz XFMPOLYYWBKYST-NSHDSACASA-N -1 3 394.387 3.548 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nc(-c4ccccc4C)no3)n[n-]c21 ZINC000808676668 886674875 /nfs/dbraw/zinc/67/48/75/886674875.db2.gz PHHONMIENAQAJF-LBPRGKRZSA-N -1 3 378.388 3.848 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000808676668 886674895 /nfs/dbraw/zinc/67/48/95/886674895.db2.gz PHHONMIENAQAJF-LBPRGKRZSA-N -1 3 378.388 3.848 20 0 GHADHM O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000078961232 887760114 /nfs/dbraw/zinc/76/01/14/887760114.db2.gz XZUPBBDKMRKTAX-UHFFFAOYSA-N -1 3 386.451 3.657 20 0 GHADHM O=C([O-])C[C@@H](CNCc1cccnc1Br)c1ccc(Cl)cc1 ZINC000864504300 887808261 /nfs/dbraw/zinc/80/82/61/887808261.db2.gz DRSHEIKQRBQMQK-ZDUSSCGKSA-N -1 3 383.673 3.846 20 0 GHADHM Cc1cc(F)c(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c(F)c1 ZINC000864527189 887828267 /nfs/dbraw/zinc/82/82/67/887828267.db2.gz BFTRPFKDEXKDPC-MRXNPFEDSA-N -1 3 389.320 3.957 20 0 GHADHM CC(C)c1cnc(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])s1 ZINC000864527986 887830348 /nfs/dbraw/zinc/83/03/48/887830348.db2.gz KWCMWNKAFWZTFJ-ZDUSSCGKSA-N -1 3 388.411 3.951 20 0 GHADHM CC(C)=CC[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000864528935 887832059 /nfs/dbraw/zinc/83/20/59/887832059.db2.gz WBZGCHOPADCPIQ-ZDUSSCGKSA-N -1 3 393.652 3.844 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC001211954892 887886840 /nfs/dbraw/zinc/88/68/40/887886840.db2.gz SWEBLBZOGUTNJU-SECBINFHSA-N -1 3 375.302 3.556 20 0 GHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1 ZINC000614840572 887913012 /nfs/dbraw/zinc/91/30/12/887913012.db2.gz OIKQOJZMDMSMEH-UHFFFAOYSA-N -1 3 385.489 3.767 20 0 GHADHM O=C1[N-]C(=O)C(=CNC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000794734563 887971199 /nfs/dbraw/zinc/97/11/99/887971199.db2.gz ACRUUULCERHVOP-DEWISIQVSA-N -1 3 396.874 3.708 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(C(F)(F)F)c2)s1)c1ccc(Cl)nn1 ZINC001131988026 888037904 /nfs/dbraw/zinc/03/79/04/888037904.db2.gz DZHVIYPERHDGCE-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM O=c1cc(CN2CCCN3c4ccccc4C[C@@H]3C2)c2cc(Cl)c([O-])cc2o1 ZINC000810051106 888099055 /nfs/dbraw/zinc/09/90/55/888099055.db2.gz VTMOGJMCESYZEI-MRXNPFEDSA-N -1 3 396.874 3.789 20 0 GHADHM Cc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1Br ZINC000810072167 888126520 /nfs/dbraw/zinc/12/65/20/888126520.db2.gz HFLPATBRUKMYJI-ZDUSSCGKSA-N -1 3 393.247 3.648 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2csc(Cc3ccccc3)n2)C1)C(F)(F)F ZINC000810071377 888126551 /nfs/dbraw/zinc/12/65/51/888126551.db2.gz CPXJJMPIWOEWGM-OAHLLOKOSA-N -1 3 397.466 3.624 20 0 GHADHM Cc1ccc(-c2nc(CN3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)cs2)o1 ZINC000810067051 888153432 /nfs/dbraw/zinc/15/34/32/888153432.db2.gz SMFNWLMWKUZGNM-GFCCVEGCSA-N -1 3 387.427 3.602 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C ZINC000055652185 888227064 /nfs/dbraw/zinc/22/70/64/888227064.db2.gz SGYUHTVTBQFOEH-UHFFFAOYSA-N -1 3 393.505 3.917 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2nc(-c3cccc(Br)c3)no2)n1 ZINC000763208675 888291084 /nfs/dbraw/zinc/29/10/84/888291084.db2.gz MPLLUXQSIJPKIC-UHFFFAOYSA-N -1 3 393.266 3.737 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000763210462 888302931 /nfs/dbraw/zinc/30/29/31/888302931.db2.gz ZRKYNBLRKMPFPP-JTQLQIEISA-N -1 3 386.304 3.908 20 0 GHADHM COc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1OC1CCCC1 ZINC000055997502 888343890 /nfs/dbraw/zinc/34/38/90/888343890.db2.gz PSVAQZLXVLXFRN-UHFFFAOYSA-N -1 3 392.455 3.788 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000015645368 888351729 /nfs/dbraw/zinc/35/17/29/888351729.db2.gz JLEIVGFRAUTMDP-LLVKDONJSA-N -1 3 378.222 3.647 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000763267246 888417303 /nfs/dbraw/zinc/41/73/03/888417303.db2.gz VMPIRZXSAYCHQZ-FQEVSTJZSA-N -1 3 386.448 3.862 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000763267246 888417309 /nfs/dbraw/zinc/41/73/09/888417309.db2.gz VMPIRZXSAYCHQZ-FQEVSTJZSA-N -1 3 386.448 3.862 20 0 GHADHM OC[C@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000532717844 888544708 /nfs/dbraw/zinc/54/47/08/888544708.db2.gz DLJDMNXGZOTLAM-JTQLQIEISA-N -1 3 384.345 3.866 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3[C@@H](O)c3ccccc3)nc2)n1 ZINC000866051460 888710153 /nfs/dbraw/zinc/71/01/53/888710153.db2.gz FKCBPHVCZPMKMV-RXVVDRJESA-N -1 3 376.460 3.509 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC000429731553 888782042 /nfs/dbraw/zinc/78/20/42/888782042.db2.gz RWICYEBBLNNVCR-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)Cn1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC000429731553 888782049 /nfs/dbraw/zinc/78/20/49/888782049.db2.gz RWICYEBBLNNVCR-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM C[C@@H](CO[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)NC(=O)OC(C)(C)C ZINC000810817805 888895034 /nfs/dbraw/zinc/89/50/34/888895034.db2.gz OFJSUPJKUJZVJV-QMMMGPOBSA-N -1 3 398.328 3.558 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1COc2ccccc21 ZINC000532856272 889093948 /nfs/dbraw/zinc/09/39/48/889093948.db2.gz DNBNOFBFXMXXAC-GXFFZTMASA-N -1 3 389.370 3.688 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532880877 889151013 /nfs/dbraw/zinc/15/10/13/889151013.db2.gz BVJHTTPXEKUUIU-XQQFMLRXSA-N -1 3 387.307 3.746 20 0 GHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000532932543 889313872 /nfs/dbraw/zinc/31/38/72/889313872.db2.gz XGUDEELNPQUXST-JOYOIKCWSA-N -1 3 388.258 3.783 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000124112321 889510463 /nfs/dbraw/zinc/51/04/63/889510463.db2.gz IXEFSZYTOQUDSV-UHFFFAOYSA-N -1 3 385.514 3.535 20 0 GHADHM Cc1ccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1F ZINC000811393681 889534684 /nfs/dbraw/zinc/53/46/84/889534684.db2.gz CMLUKXLLFASWTK-UHFFFAOYSA-N -1 3 380.828 3.804 20 0 GHADHM COCc1cccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394897 889536130 /nfs/dbraw/zinc/53/61/30/889536130.db2.gz LYBMMZSWWZRVMM-UHFFFAOYSA-N -1 3 392.864 3.502 20 0 GHADHM CCO[C@@H](C)c1nccn1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000124212791 889549635 /nfs/dbraw/zinc/54/96/35/889549635.db2.gz VDHJKXLSAIQVAL-ZDUSSCGKSA-N -1 3 380.473 3.994 20 0 GHADHM O=C([N-]CC1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1)C(F)(F)F ZINC000811489738 889640536 /nfs/dbraw/zinc/64/05/36/889640536.db2.gz GWXIEJWCGRWDDZ-UHFFFAOYSA-N -1 3 382.426 3.875 20 0 GHADHM CO[C@@H](C)c1nsc([N-]C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)n1 ZINC000811498038 889649623 /nfs/dbraw/zinc/64/96/23/889649623.db2.gz IWOGWQQXSJDAIF-VIFPVBQESA-N -1 3 398.510 3.931 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001184699884 913368183 /nfs/dbraw/zinc/36/81/83/913368183.db2.gz ZGPZAFQMINUFFZ-CQSZACIVSA-N -1 3 395.937 3.531 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1)C(F)(F)F ZINC000811514938 889711933 /nfs/dbraw/zinc/71/19/33/889711933.db2.gz RXEUIXGWUOZRKK-CQSZACIVSA-N -1 3 382.382 3.962 20 0 GHADHM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000064381320 889924360 /nfs/dbraw/zinc/92/43/60/889924360.db2.gz ABGIXVLQJOWXDF-UHFFFAOYSA-N -1 3 396.534 3.564 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2nc(C(C)(C)c3ccccc3)cs2)c(=O)[n-]1 ZINC000869696618 890044656 /nfs/dbraw/zinc/04/46/56/890044656.db2.gz OHYRJOWADOABGF-UHFFFAOYSA-N -1 3 382.489 3.763 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000125599325 890049409 /nfs/dbraw/zinc/04/94/09/890049409.db2.gz HLXPUWVVFFFLBD-QGZVFWFLSA-N -1 3 379.551 3.943 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C ZINC000916729732 890140280 /nfs/dbraw/zinc/14/02/80/890140280.db2.gz FUUBRWXJLHNCBS-HOTGVXAUSA-N -1 3 392.496 3.857 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC2(CC2)c2ccccc21 ZINC000266092683 890246586 /nfs/dbraw/zinc/24/65/86/890246586.db2.gz ZLWMFHHFUQLNJW-UHFFFAOYSA-N -1 3 386.455 3.564 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(Br)c2)C12CCC2 ZINC000126236028 890438331 /nfs/dbraw/zinc/43/83/31/890438331.db2.gz QTNWCQQTLZADCT-HZPDHXFCSA-N -1 3 397.313 3.644 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2cnn(Cc3ccccc3)c2Cl)n1 ZINC000870622595 890448716 /nfs/dbraw/zinc/44/87/16/890448716.db2.gz MBPQHWTWWXOVSU-UHFFFAOYSA-N -1 3 391.884 3.570 20 0 GHADHM Cc1ccc(OCCN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000126304346 890465182 /nfs/dbraw/zinc/46/51/82/890465182.db2.gz CSEYIBPKPPDNOZ-UHFFFAOYSA-N -1 3 393.281 3.684 20 0 GHADHM CCCCC1CCC(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812274980 890495011 /nfs/dbraw/zinc/49/50/11/890495011.db2.gz BYABAMYPLPJRQY-PCKAHOCUSA-N -1 3 376.463 3.900 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1F ZINC000126520130 890576208 /nfs/dbraw/zinc/57/62/08/890576208.db2.gz YGENTYRZKCGKGI-UHFFFAOYSA-N -1 3 385.285 3.932 20 0 GHADHM CCc1ccc([C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C(C)C)cc1 ZINC001184837482 913473605 /nfs/dbraw/zinc/47/36/05/913473605.db2.gz RXDNJNJLZIZMAV-MRXNPFEDSA-N -1 3 399.896 3.958 20 0 GHADHM COc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1OC ZINC000917028939 890760642 /nfs/dbraw/zinc/76/06/42/890760642.db2.gz ZNPGGDQDCPLAOA-UHFFFAOYSA-N -1 3 380.404 3.819 20 0 GHADHM O=S(=O)(NCc1ccccc1CN1CCCCC1)c1cccc(Cl)c1[O-] ZINC001184892044 913486048 /nfs/dbraw/zinc/48/60/48/913486048.db2.gz KSEWTMPNTGGDKZ-UHFFFAOYSA-N -1 3 394.924 3.510 20 0 GHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000126847487 890780530 /nfs/dbraw/zinc/78/05/30/890780530.db2.gz BPDKQLSFHIARLT-GFCCVEGCSA-N -1 3 385.482 3.544 20 0 GHADHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3cc4ccccc4o3)c2)CC1 ZINC000126938695 890824019 /nfs/dbraw/zinc/82/40/19/890824019.db2.gz HYARMJUWCUUBQK-UHFFFAOYSA-N -1 3 399.516 3.764 20 0 GHADHM CC(C)OCCO[N-]C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000812809191 891002358 /nfs/dbraw/zinc/00/23/58/891002358.db2.gz SCPUTHDBJVHHEM-UHFFFAOYSA-N -1 3 377.868 3.934 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(F)cccc2Br)c([O-])c1 ZINC000127370097 891026301 /nfs/dbraw/zinc/02/63/01/891026301.db2.gz MOKXTNPQQWZKDN-UHFFFAOYSA-N -1 3 382.185 3.723 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)[n-]1 ZINC001184936804 913514679 /nfs/dbraw/zinc/51/46/79/913514679.db2.gz NGKXCMIUWMGPEF-CQSZACIVSA-N -1 3 394.353 3.661 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)c[n-]1 ZINC001184936804 913514684 /nfs/dbraw/zinc/51/46/84/913514684.db2.gz NGKXCMIUWMGPEF-CQSZACIVSA-N -1 3 394.353 3.661 20 0 GHADHM O=C(COc1ccccc1Cc1ccccc1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533675059 891116595 /nfs/dbraw/zinc/11/65/95/891116595.db2.gz NRUYKJMZKWKYTQ-UHFFFAOYSA-N -1 3 384.439 3.502 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533675056 891117076 /nfs/dbraw/zinc/11/70/76/891117076.db2.gz NKCQDXBFEFNKAI-UHFFFAOYSA-N -1 3 383.864 3.728 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1F)c1cccnc1Cl ZINC001184909199 913529595 /nfs/dbraw/zinc/52/95/95/913529595.db2.gz GLUYVKMRFZFURK-INIZCTEOSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCc3cc(F)ccc3F)cc2)n1 ZINC000127646428 891185456 /nfs/dbraw/zinc/18/54/56/891185456.db2.gz ITIGOSZORUIWIH-UHFFFAOYSA-N -1 3 383.398 3.985 20 0 GHADHM O=C(NC[C@H]1SCCc2ccccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001137057350 891190222 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[O-]c1ccc(Nc2cc(CO)ccc2I)c(F)c1F ZINC001212016344 891342037 /nfs/dbraw/zinc/34/20/37/891342037.db2.gz LNPJZGPJJANVAL-UHFFFAOYSA-N -1 3 377.128 3.511 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000813317590 891477606 /nfs/dbraw/zinc/47/76/06/891477606.db2.gz YAYDQHQSDGQCLY-IBGZPJMESA-N -1 3 395.377 3.521 20 0 GHADHM COc1cc(-c2noc([C@@H]3CCN3C3CCCC3)n2)cc(Br)c1[O-] ZINC000924008767 891527041 /nfs/dbraw/zinc/52/70/41/891527041.db2.gz QWOZQEAAQRWSET-ZDUSSCGKSA-N -1 3 394.269 3.903 20 0 GHADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC000813364910 891548995 /nfs/dbraw/zinc/54/89/95/891548995.db2.gz CFXQASNPHJAYFK-UHFFFAOYSA-N -1 3 382.754 3.984 20 0 GHADHM COC(=O)c1sc2[n-]c(Cn3c4ccccc4nc3C(C)C)nc(=O)c2c1C ZINC000497432761 891565268 /nfs/dbraw/zinc/56/52/68/891565268.db2.gz DAESLEUDYNVHDQ-UHFFFAOYSA-N -1 3 396.472 3.601 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873645111 891722782 /nfs/dbraw/zinc/72/27/82/891722782.db2.gz UBXPHQLSZDGYCK-UPJWGTAASA-N -1 3 382.291 3.978 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cnc(Cl)c(Br)c1 ZINC001184993455 913592413 /nfs/dbraw/zinc/59/24/13/913592413.db2.gz UVJXAHQVLXVKFN-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=C(c1ccc([O-])c(Cl)c1)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001272100653 891802658 /nfs/dbraw/zinc/80/26/58/891802658.db2.gz OQLWAYJEFOBZJG-UHFFFAOYSA-N -1 3 390.833 3.926 20 0 GHADHM CC(C)(C)SCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000813663505 891848812 /nfs/dbraw/zinc/84/88/12/891848812.db2.gz QERVDARPBYZCLO-UHFFFAOYSA-N -1 3 375.409 3.534 20 0 GHADHM CC(C)c1ccc(OC2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)cc1 ZINC000917377355 891873237 /nfs/dbraw/zinc/87/32/37/891873237.db2.gz DQLIRKJLPPUFOC-UHFFFAOYSA-N -1 3 383.444 3.928 20 0 GHADHM CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000813724021 891900219 /nfs/dbraw/zinc/90/02/19/891900219.db2.gz DESNZEITTAZACC-LJQANCHMSA-N -1 3 396.487 3.528 20 0 GHADHM CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001133906791 891923463 /nfs/dbraw/zinc/92/34/63/891923463.db2.gz AWQZXNGZIZADTQ-UHFFFAOYSA-N -1 3 375.772 3.539 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000497590478 891945556 /nfs/dbraw/zinc/94/55/56/891945556.db2.gz IENFPKSHEZHQHL-LBPRGKRZSA-N -1 3 386.757 3.753 20 0 GHADHM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001272102374 891959786 /nfs/dbraw/zinc/95/97/86/891959786.db2.gz WIVXXZGDNCQGGF-GXTWGEPZSA-N -1 3 376.806 3.534 20 0 GHADHM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)nn1-c1ccccc1 ZINC000128633655 892216629 /nfs/dbraw/zinc/21/66/29/892216629.db2.gz PBZYFNDGBXBAKZ-UHFFFAOYSA-N -1 3 397.406 3.925 20 0 GHADHM CC(C)c1nsc([N-]C(=O)c2c(F)cccc2I)n1 ZINC000874695078 892300380 /nfs/dbraw/zinc/30/03/80/892300380.db2.gz JEIPFKLVHHDSOG-UHFFFAOYSA-N -1 3 391.209 3.658 20 0 GHADHM COc1ccc([C@@H](NC(=O)CO[N-]C(=O)CCC2CCCCC2)C2CC2)cc1 ZINC000774822646 913654459 /nfs/dbraw/zinc/65/44/59/913654459.db2.gz MFPXMGNRFWJEPC-QFIPXVFZSA-N -1 3 388.508 3.671 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000917738460 892451120 /nfs/dbraw/zinc/45/11/20/892451120.db2.gz GTFIDVIRCHGDCG-UHFFFAOYSA-N -1 3 388.452 3.639 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000917738853 892452797 /nfs/dbraw/zinc/45/27/97/892452797.db2.gz KBDZDTWPGVARBV-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000917750381 892504548 /nfs/dbraw/zinc/50/45/48/892504548.db2.gz PUCYIEJLIMOUMS-UHFFFAOYSA-N -1 3 390.461 3.987 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)c([O-])c1 ZINC001170740283 892512545 /nfs/dbraw/zinc/51/25/45/892512545.db2.gz XAOTXNUYARAABU-IBGZPJMESA-N -1 3 398.478 3.754 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2C1 ZINC000825778904 892550328 /nfs/dbraw/zinc/55/03/28/892550328.db2.gz DFRMCZJMJRYOJJ-UHFFFAOYSA-N -1 3 395.419 3.568 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1c(Cl)nc2ccccn21 ZINC000917905354 892776868 /nfs/dbraw/zinc/77/68/68/892776868.db2.gz GRWMRTIQZBZXGB-GFCCVEGCSA-N -1 3 389.786 3.570 20 0 GHADHM CN(C(=S)Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825833562 892872357 /nfs/dbraw/zinc/87/23/57/892872357.db2.gz IFNLYAAOINATOL-UHFFFAOYSA-N -1 3 394.382 3.599 20 0 GHADHM CN(C(=S)Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825833562 892872373 /nfs/dbraw/zinc/87/23/73/892872373.db2.gz IFNLYAAOINATOL-UHFFFAOYSA-N -1 3 394.382 3.599 20 0 GHADHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508748281 893158669 /nfs/dbraw/zinc/15/86/69/893158669.db2.gz RAKSWJOINWWEPM-SSDOTTSWSA-N -1 3 399.740 3.605 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)nc2)n1 ZINC000428681296 893184594 /nfs/dbraw/zinc/18/45/94/893184594.db2.gz NACCLUDEAPGLGP-PGRDOPGGSA-N -1 3 394.450 3.524 20 0 GHADHM O=S(=O)([N-]c1ccsc1Br)c1ccc(-c2cnco2)cc1 ZINC001185195629 913750725 /nfs/dbraw/zinc/75/07/25/913750725.db2.gz NQDBPJOPYIFWFL-UHFFFAOYSA-N -1 3 385.264 3.966 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2scnc2C(F)(F)F)cc(F)c1Cl ZINC001134837487 893384987 /nfs/dbraw/zinc/38/49/87/893384987.db2.gz FVTXEHJFMFKCAP-UHFFFAOYSA-N -1 3 382.722 3.993 20 0 GHADHM COC(=O)CC[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459398738 893423602 /nfs/dbraw/zinc/42/36/02/893423602.db2.gz FYYPBXIVYIWJJI-OAHLLOKOSA-N -1 3 378.266 3.939 20 0 GHADHM [O-]c1cccc(CNc2ccccc2N2CCC(CO)CC2)c1Br ZINC000459450505 893543248 /nfs/dbraw/zinc/54/32/48/893543248.db2.gz AGPXTBYVNVCAOZ-UHFFFAOYSA-N -1 3 391.309 3.976 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3c[nH]c4cccc(C)c34)nc21 ZINC001134937344 893643269 /nfs/dbraw/zinc/64/32/69/893643269.db2.gz NRBAXHRDBBUVNW-UHFFFAOYSA-N -1 3 376.416 3.711 20 0 GHADHM CCCOc1ccc(OCC(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)cc1 ZINC001134937195 893643433 /nfs/dbraw/zinc/64/34/33/893643433.db2.gz LRIRKXHYHHRFRO-UHFFFAOYSA-N -1 3 397.431 3.546 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc4cccc(F)c4nc3C)nc21 ZINC001134941287 893658576 /nfs/dbraw/zinc/65/85/76/893658576.db2.gz YTEVIHOYKBNBQE-UHFFFAOYSA-N -1 3 392.390 3.988 20 0 GHADHM C[C@@H](CCO)N(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000536741973 893675579 /nfs/dbraw/zinc/67/55/79/893675579.db2.gz LARPKZZJSNERQY-HNNXBMFYSA-N -1 3 377.444 3.855 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)(F)F)cnc1Br)c1ccsc1 ZINC001185352712 913807591 /nfs/dbraw/zinc/80/75/91/913807591.db2.gz STVRGPDDEWYBAB-UHFFFAOYSA-N -1 3 387.202 3.725 20 0 GHADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000934704662 893832575 /nfs/dbraw/zinc/83/25/75/893832575.db2.gz DNXYIDIPJNMZCU-MMTVNHQJSA-N -1 3 390.911 3.905 20 0 GHADHM Cc1ccc(OCc2ccc(C(=O)[N-]c3nc4ccc(F)cn4n3)o2)c(C)c1 ZINC000129706853 893868105 /nfs/dbraw/zinc/86/81/05/893868105.db2.gz DAWNSERSJAZDBU-UHFFFAOYSA-N -1 3 380.379 3.910 20 0 GHADHM O=C([N-]CC1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1)C(F)(F)F ZINC000877923350 893895695 /nfs/dbraw/zinc/89/56/95/893895695.db2.gz SEXOLAWWJQBQTD-UHFFFAOYSA-N -1 3 391.349 3.728 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c[n-]c12 ZINC000563579725 893933901 /nfs/dbraw/zinc/93/39/01/893933901.db2.gz SZNFADVUCSFIJA-UHFFFAOYSA-N -1 3 398.422 3.736 20 0 GHADHM COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc([O-])cc3)ccc2c1 ZINC000022475472 893979285 /nfs/dbraw/zinc/97/92/85/893979285.db2.gz YDYZNUVOVXVLRI-HNNXBMFYSA-N -1 3 393.439 3.758 20 0 GHADHM O=c1[n-]c(CN2CCC(c3ccccc3C(F)(F)F)CC2)nc2c1COCC2 ZINC000878193494 894083334 /nfs/dbraw/zinc/08/33/34/894083334.db2.gz DVUFLZLDPBCHLM-UHFFFAOYSA-N -1 3 393.409 3.653 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN(Cc2ccccc2)CC2(O)CCCC2)o1 ZINC000878194478 894084417 /nfs/dbraw/zinc/08/44/17/894084417.db2.gz WKGYUHYTPBKQAC-UHFFFAOYSA-N -1 3 379.460 3.750 20 0 GHADHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878257285 894134420 /nfs/dbraw/zinc/13/44/20/894134420.db2.gz NQFOVIZWUSQIMP-UHFFFAOYSA-N -1 3 380.448 3.520 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878284465 894159917 /nfs/dbraw/zinc/15/99/17/894159917.db2.gz RMQKMYVRHKJJGM-QGZVFWFLSA-N -1 3 381.432 3.569 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000563822683 894232149 /nfs/dbraw/zinc/23/21/49/894232149.db2.gz LMSWQQXDIUIFFN-AWEZNQCLSA-N -1 3 390.443 3.525 20 0 GHADHM CCCOc1ccccc1[C@@H](CC(C)C)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000878371007 894237329 /nfs/dbraw/zinc/23/73/29/894237329.db2.gz FCOPJSOXHAFWEQ-LJQANCHMSA-N -1 3 385.508 3.921 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nc2c1COCC2 ZINC000878601085 894429266 /nfs/dbraw/zinc/42/92/66/894429266.db2.gz LLXZTUSRYXDAEC-CQSZACIVSA-N -1 3 393.409 3.653 20 0 GHADHM CC(C)(C)OC(=O)CC[C@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878716172 894531761 /nfs/dbraw/zinc/53/17/61/894531761.db2.gz IDAHRPSVFLNUAA-OAHLLOKOSA-N -1 3 387.480 3.919 20 0 GHADHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000537182199 894538302 /nfs/dbraw/zinc/53/83/02/894538302.db2.gz CNKADSBGLGTSHC-MGPLVRAMSA-N -1 3 375.824 3.673 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1 ZINC001135482754 894654288 /nfs/dbraw/zinc/65/42/88/894654288.db2.gz HXPYJEMNZDVRMZ-UHFFFAOYSA-N -1 3 392.411 3.801 20 0 GHADHM CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878990341 894766648 /nfs/dbraw/zinc/76/66/48/894766648.db2.gz FWEGPEGTSOZCHH-UHFFFAOYSA-N -1 3 375.469 3.632 20 0 GHADHM CC[C@@](C)(OC)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000564279319 894809281 /nfs/dbraw/zinc/80/92/81/894809281.db2.gz LCIGRVQCMFCFTQ-OAHLLOKOSA-N -1 3 378.230 3.556 20 0 GHADHM Cc1cnc([C@H](C)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cn1 ZINC000879467287 895076772 /nfs/dbraw/zinc/07/67/72/895076772.db2.gz FSTXRLUCVVKLQN-KBPBESRZSA-N -1 3 378.398 3.518 20 0 GHADHM COc1ccc(F)cc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000023578419 895353259 /nfs/dbraw/zinc/35/32/59/895353259.db2.gz UAYXLRJYSCBEQI-SECBINFHSA-N -1 3 376.409 3.667 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000880230941 895586473 /nfs/dbraw/zinc/58/64/73/895586473.db2.gz QSCFJARWSQAAMI-ZJUUUORDSA-N -1 3 381.420 3.803 20 0 GHADHM CO[C@@]1(C(F)(F)F)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000880303634 895626590 /nfs/dbraw/zinc/62/65/90/895626590.db2.gz HKKJTBLRJNCUDS-INIZCTEOSA-N -1 3 399.394 3.810 20 0 GHADHM CCOC1CC(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000289009274 913995980 /nfs/dbraw/zinc/99/59/80/913995980.db2.gz DWRIZJYHRNPKJQ-UHFFFAOYSA-N -1 3 390.241 3.567 20 0 GHADHM COc1ccc(C[C@H](C)CN(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826191276 896012104 /nfs/dbraw/zinc/01/21/04/896012104.db2.gz BMFDYXSZYWNNMS-AWEZNQCLSA-N -1 3 394.479 3.526 20 0 GHADHM COc1ccc(C[C@H](C)CN(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826191276 896012115 /nfs/dbraw/zinc/01/21/15/896012115.db2.gz BMFDYXSZYWNNMS-AWEZNQCLSA-N -1 3 394.479 3.526 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC001136145234 896170471 /nfs/dbraw/zinc/17/04/71/896170471.db2.gz YMKGJNRCWZZZRN-UHFFFAOYSA-N -1 3 389.864 3.755 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000818816306 896246436 /nfs/dbraw/zinc/24/64/36/896246436.db2.gz PYLRBAOXKXMUKX-SJLPKXTDSA-N -1 3 388.508 3.952 20 0 GHADHM O=C([O-])c1cccc(OCCN2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000566357736 896256200 /nfs/dbraw/zinc/25/62/00/896256200.db2.gz JVOODAILPOYFQZ-UHFFFAOYSA-N -1 3 375.852 3.960 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826239890 896594134 /nfs/dbraw/zinc/59/41/34/896594134.db2.gz UCHFBNQYUGQEPN-MRXNPFEDSA-N -1 3 380.839 3.522 20 0 GHADHM Cc1c(Cl)cnc(NC[C@@H](O)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826239890 896594147 /nfs/dbraw/zinc/59/41/47/896594147.db2.gz UCHFBNQYUGQEPN-MRXNPFEDSA-N -1 3 380.839 3.522 20 0 GHADHM Cc1c(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826242263 896596500 /nfs/dbraw/zinc/59/65/00/896596500.db2.gz HQJDYTPHHCLECW-UHFFFAOYSA-N -1 3 386.843 3.511 20 0 GHADHM Cc1c(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826242263 896596516 /nfs/dbraw/zinc/59/65/16/896596516.db2.gz HQJDYTPHHCLECW-UHFFFAOYSA-N -1 3 386.843 3.511 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001136219747 896714557 /nfs/dbraw/zinc/71/45/57/896714557.db2.gz BCAFTPVYMUDHQA-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)nc1Cl ZINC001185801716 914094096 /nfs/dbraw/zinc/09/40/96/914094096.db2.gz RLVDSZQJXRMTKT-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM Cc1cc(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)sc1C ZINC000826260360 896748175 /nfs/dbraw/zinc/74/81/75/896748175.db2.gz KKWNOOSLRKYZHL-UHFFFAOYSA-N -1 3 399.867 3.636 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)C[C@@H](C)c3nccs3)c2c1 ZINC000826263953 896750291 /nfs/dbraw/zinc/75/02/91/896750291.db2.gz XHCHSANXTMTTLV-CYBMUJFWSA-N -1 3 379.493 3.728 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)C[C@@H](C)c3nccs3)c2c1 ZINC000826263953 896750301 /nfs/dbraw/zinc/75/03/01/896750301.db2.gz XHCHSANXTMTTLV-CYBMUJFWSA-N -1 3 379.493 3.728 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCCCS1 ZINC000826271993 896825479 /nfs/dbraw/zinc/82/54/79/896825479.db2.gz QCEFUSNJSCWWDG-MRXNPFEDSA-N -1 3 396.476 3.587 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(F)cc3-c3cnn(C)c3)c(=O)c2c1 ZINC000567280362 897029948 /nfs/dbraw/zinc/02/99/48/897029948.db2.gz XEATYONOUUCXNU-UHFFFAOYSA-N -1 3 376.391 3.628 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(c3nncn3C3CC3)CC2)c1C ZINC000567355509 897088721 /nfs/dbraw/zinc/08/87/21/897088721.db2.gz BNPSVXUIWDAJCK-UHFFFAOYSA-N -1 3 391.475 3.860 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020815 897089717 /nfs/dbraw/zinc/08/97/17/897089717.db2.gz KJXJCFNZVBOLDK-GOSISDBHSA-N -1 3 382.443 3.737 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020815 897089737 /nfs/dbraw/zinc/08/97/37/897089737.db2.gz KJXJCFNZVBOLDK-GOSISDBHSA-N -1 3 382.443 3.737 20 0 GHADHM O=C(Nc1ncccc1[O-])C(O)(c1ccccc1Cl)c1ccccc1Cl ZINC001185846414 914136956 /nfs/dbraw/zinc/13/69/56/914136956.db2.gz KDWVXAKSXSSQNH-UHFFFAOYSA-N -1 3 389.238 3.969 20 0 GHADHM C[C@H](NC(=O)N1CCc2cc(C(C)(C)C)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820351631 897286313 /nfs/dbraw/zinc/28/63/13/897286313.db2.gz QJBSGKBBUFAQEP-AWEZNQCLSA-N -1 3 390.491 3.998 20 0 GHADHM C[C@H](NC(=O)N1CCc2cc(C(C)(C)C)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820351631 897286328 /nfs/dbraw/zinc/28/63/28/897286328.db2.gz QJBSGKBBUFAQEP-AWEZNQCLSA-N -1 3 390.491 3.998 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357108 897290165 /nfs/dbraw/zinc/29/01/65/897290165.db2.gz DVKCBXMJHGSFOX-QKYXUNIQSA-N -1 3 390.491 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357108 897290173 /nfs/dbraw/zinc/29/01/73/897290173.db2.gz DVKCBXMJHGSFOX-QKYXUNIQSA-N -1 3 390.491 3.638 20 0 GHADHM CCc1ccc([C@H]2CCN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)C2)cc1 ZINC000820421105 897337093 /nfs/dbraw/zinc/33/70/93/897337093.db2.gz FPHQRQOISQJQER-HNNXBMFYSA-N -1 3 382.410 3.998 20 0 GHADHM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1cnc(-c2ccccc2)s1 ZINC001185861616 914152699 /nfs/dbraw/zinc/15/26/99/914152699.db2.gz PGIIGGONGVSOLS-UHFFFAOYSA-N -1 3 399.541 3.757 20 0 GHADHM O=S(=O)([N-]Cc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)nc1Cl ZINC001185891732 914159625 /nfs/dbraw/zinc/15/96/25/914159625.db2.gz FXWFCTYOZCNDDQ-UHFFFAOYSA-N -1 3 386.729 3.511 20 0 GHADHM Cc1ccnc(NCc2cccc(NC(=O)C3CCCCC3)c2)c1-c1nnn[n-]1 ZINC000826314264 897451314 /nfs/dbraw/zinc/45/13/14/897451314.db2.gz NPIVLOOJIXDUSE-UHFFFAOYSA-N -1 3 391.479 3.701 20 0 GHADHM Cc1ccnc(NCc2cccc(NC(=O)C3CCCCC3)c2)c1-c1nn[n-]n1 ZINC000826314264 897451324 /nfs/dbraw/zinc/45/13/24/897451324.db2.gz NPIVLOOJIXDUSE-UHFFFAOYSA-N -1 3 391.479 3.701 20 0 GHADHM Cc1ccnc(NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1-c1nnn[n-]1 ZINC000826314447 897505283 /nfs/dbraw/zinc/50/52/83/897505283.db2.gz WXPIMEUIZAXMTN-UHFFFAOYSA-N -1 3 382.431 3.726 20 0 GHADHM Cc1ccnc(NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1-c1nn[n-]n1 ZINC000826314447 897505299 /nfs/dbraw/zinc/50/52/99/897505299.db2.gz WXPIMEUIZAXMTN-UHFFFAOYSA-N -1 3 382.431 3.726 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820826182 897569700 /nfs/dbraw/zinc/56/97/00/897569700.db2.gz KNFJKZYKFDUURL-JTQLQIEISA-N -1 3 388.353 3.994 20 0 GHADHM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820826182 897569710 /nfs/dbraw/zinc/56/97/10/897569710.db2.gz KNFJKZYKFDUURL-JTQLQIEISA-N -1 3 388.353 3.994 20 0 GHADHM CC(=O)c1c(C)cc(C)c(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)c1C ZINC000568073625 897571139 /nfs/dbraw/zinc/57/11/39/897571139.db2.gz HPLQIPIQJKLPKY-UHFFFAOYSA-N -1 3 383.492 3.855 20 0 GHADHM COC(=O)COc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC001136411321 897697226 /nfs/dbraw/zinc/69/72/26/897697226.db2.gz ISGODUGCUUGINP-UHFFFAOYSA-N -1 3 393.395 3.989 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000132270028 897740146 /nfs/dbraw/zinc/74/01/46/897740146.db2.gz JYXBNUAMTRUWFQ-UHFFFAOYSA-N -1 3 393.484 3.821 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@@H](OC(C)C)c2ccccc2)c1 ZINC000821186980 897752696 /nfs/dbraw/zinc/75/26/96/897752696.db2.gz XCDNCUDRMHMNRP-NIYFSFCBSA-N -1 3 376.474 3.512 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821154600 897765968 /nfs/dbraw/zinc/76/59/68/897765968.db2.gz PQZVKLXFPZFKCG-LSDHHAIUSA-N -1 3 394.479 3.729 20 0 GHADHM CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821154600 897765978 /nfs/dbraw/zinc/76/59/78/897765978.db2.gz PQZVKLXFPZFKCG-LSDHHAIUSA-N -1 3 394.479 3.729 20 0 GHADHM CCN(CC)[C@@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821175081 897780220 /nfs/dbraw/zinc/78/02/20/897780220.db2.gz CETPVVOBNNCUCA-DNVCBOLYSA-N -1 3 379.464 3.554 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)ccc2s1 ZINC000821343891 897845269 /nfs/dbraw/zinc/84/52/69/897845269.db2.gz YIOPSNJIGXKGDY-UHFFFAOYSA-N -1 3 399.457 3.572 20 0 GHADHM CCOC(=O)c1cc2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)ccc2s1 ZINC000821343891 897845279 /nfs/dbraw/zinc/84/52/79/897845279.db2.gz YIOPSNJIGXKGDY-UHFFFAOYSA-N -1 3 399.457 3.572 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821461822 897879775 /nfs/dbraw/zinc/87/97/75/897879775.db2.gz UEEBKKFWDGLROK-UHFFFAOYSA-N -1 3 387.896 3.904 20 0 GHADHM CCSc1ccc(Cl)cc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821461822 897879785 /nfs/dbraw/zinc/87/97/85/897879785.db2.gz UEEBKKFWDGLROK-UHFFFAOYSA-N -1 3 387.896 3.904 20 0 GHADHM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(CN2CCSCC2)c1 ZINC001136467074 897952356 /nfs/dbraw/zinc/95/23/56/897952356.db2.gz NYOKIYSCOAZXED-UHFFFAOYSA-N -1 3 376.909 3.776 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275483667 914210756 /nfs/dbraw/zinc/21/07/56/914210756.db2.gz PUCQVABZRSTKKE-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275483667 914210771 /nfs/dbraw/zinc/21/07/71/914210771.db2.gz PUCQVABZRSTKKE-INIZCTEOSA-N -1 3 389.818 3.701 20 0 GHADHM C[C@@]1(CCNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1(Cl)Cl ZINC000821762557 898082933 /nfs/dbraw/zinc/08/29/33/898082933.db2.gz MTOPHFQFKIIZQU-OAHLLOKOSA-N -1 3 375.202 3.510 20 0 GHADHM FC(F)(F)[C@@H](NCCOC1CCCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826367062 898153386 /nfs/dbraw/zinc/15/33/86/898153386.db2.gz KEZOJIQEVNGNFD-INIZCTEOSA-N -1 3 383.418 3.799 20 0 GHADHM FC(F)(F)[C@@H](NCCOC1CCCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826367062 898153391 /nfs/dbraw/zinc/15/33/91/898153391.db2.gz KEZOJIQEVNGNFD-INIZCTEOSA-N -1 3 383.418 3.799 20 0 GHADHM CN(C[C@@H](c1cccs1)N1CCOCC1)c1c(C(=O)[O-])cnc2ccccc21 ZINC000568887933 898190362 /nfs/dbraw/zinc/19/03/62/898190362.db2.gz QXZURUGWCXKGSZ-SFHVURJKSA-N -1 3 397.500 3.504 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)c1 ZINC000826368886 898203913 /nfs/dbraw/zinc/20/39/13/898203913.db2.gz FAZAMYBBAQTBGB-LLVKDONJSA-N -1 3 394.788 3.928 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)c1 ZINC000826368886 898203928 /nfs/dbraw/zinc/20/39/28/898203928.db2.gz FAZAMYBBAQTBGB-LLVKDONJSA-N -1 3 394.788 3.928 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(F)ccc2N2CCCCC2)c([O-])c1 ZINC001136548913 898241254 /nfs/dbraw/zinc/24/12/54/898241254.db2.gz AOJYDRWWJYLBQH-UHFFFAOYSA-N -1 3 399.466 3.589 20 0 GHADHM CC(C)n1ccnc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000568992882 898262579 /nfs/dbraw/zinc/26/25/79/898262579.db2.gz ZSKWLWDMYSZGQK-JKSUJKDBSA-N -1 3 392.297 3.527 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)/C=C\c3ccccc3F)CCCCCC2)no1 ZINC000800007833 898494728 /nfs/dbraw/zinc/49/47/28/898494728.db2.gz LOBGKZABPXSVHN-RAXLEYEMSA-N -1 3 379.457 3.657 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000826373608 898537469 /nfs/dbraw/zinc/53/74/69/898537469.db2.gz SOPCHHNYHWMHII-UHFFFAOYSA-N -1 3 390.209 3.868 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000826373608 898537475 /nfs/dbraw/zinc/53/74/75/898537475.db2.gz SOPCHHNYHWMHII-UHFFFAOYSA-N -1 3 390.209 3.868 20 0 GHADHM CC(=O)c1ccc(C(=O)N=c2sccn2Cc2ccccc2Cl)cc1[O-] ZINC001136619441 898584002 /nfs/dbraw/zinc/58/40/02/898584002.db2.gz XLWZEFBFBCTQBW-UHFFFAOYSA-N -1 3 386.860 3.901 20 0 GHADHM CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000569542470 898767842 /nfs/dbraw/zinc/76/78/42/898767842.db2.gz HCQCNULMOMSEON-NRFANRHFSA-N -1 3 384.480 3.971 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822983927 898776065 /nfs/dbraw/zinc/77/60/65/898776065.db2.gz YCQYFAYFBIZELV-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822983927 898776079 /nfs/dbraw/zinc/77/60/79/898776079.db2.gz YCQYFAYFBIZELV-UHFFFAOYSA-N -1 3 395.438 3.899 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1F ZINC000826378352 898777826 /nfs/dbraw/zinc/77/78/26/898777826.db2.gz GETYUYMNCVKNPA-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1F ZINC000826378352 898777835 /nfs/dbraw/zinc/77/78/35/898777835.db2.gz GETYUYMNCVKNPA-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000823050639 898810218 /nfs/dbraw/zinc/81/02/18/898810218.db2.gz GUQWYMILCDYIMK-HNNXBMFYSA-N -1 3 392.406 3.511 20 0 GHADHM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000569587574 898810894 /nfs/dbraw/zinc/81/08/94/898810894.db2.gz KIXCULYEYACPBH-HNNXBMFYSA-N -1 3 379.243 3.624 20 0 GHADHM COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000569706021 898899971 /nfs/dbraw/zinc/89/99/71/898899971.db2.gz DEAWCDIYEZGUHW-UHFFFAOYSA-N -1 3 389.455 3.911 20 0 GHADHM CC(C)N(CC1CCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000569709450 898903359 /nfs/dbraw/zinc/90/33/59/898903359.db2.gz PAZMWTKRBDIATD-UHFFFAOYSA-N -1 3 377.282 3.941 20 0 GHADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ncsc1Br ZINC000289694097 914298833 /nfs/dbraw/zinc/29/88/33/914298833.db2.gz HSLLPHOGMCACFB-UHFFFAOYSA-N -1 3 387.280 3.883 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2csc3ccccc23)ccc1F ZINC000778721658 898979232 /nfs/dbraw/zinc/97/92/32/898979232.db2.gz KVKUPWREGAHQHY-UHFFFAOYSA-N -1 3 392.477 3.979 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823364076 898983339 /nfs/dbraw/zinc/98/33/39/898983339.db2.gz YKCQQLNGLZFPPI-UHFFFAOYSA-N -1 3 382.399 3.971 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823364076 898983348 /nfs/dbraw/zinc/98/33/48/898983348.db2.gz YKCQQLNGLZFPPI-UHFFFAOYSA-N -1 3 382.399 3.971 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Oc2ccccc2)ccn1 ZINC000823413371 899021820 /nfs/dbraw/zinc/02/18/20/899021820.db2.gz GBXRLQGBLFULCA-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Oc2ccccc2)ccn1 ZINC000823413371 899021837 /nfs/dbraw/zinc/02/18/37/899021837.db2.gz GBXRLQGBLFULCA-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823488413 899059345 /nfs/dbraw/zinc/05/93/45/899059345.db2.gz LYJDADDPMQBXRW-UHFFFAOYSA-N -1 3 381.439 3.681 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823488413 899059358 /nfs/dbraw/zinc/05/93/58/899059358.db2.gz LYJDADDPMQBXRW-UHFFFAOYSA-N -1 3 381.439 3.681 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)c1C ZINC000116711355 899303874 /nfs/dbraw/zinc/30/38/74/899303874.db2.gz RURKCWZTYKGWPQ-UHFFFAOYSA-N -1 3 395.546 3.574 20 0 GHADHM CC(=O)c1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000824025225 899348828 /nfs/dbraw/zinc/34/88/28/899348828.db2.gz XKAUDPXBVUEZDJ-UHFFFAOYSA-N -1 3 396.838 3.534 20 0 GHADHM CC(=O)c1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1Cl ZINC000824025225 899348841 /nfs/dbraw/zinc/34/88/41/899348841.db2.gz XKAUDPXBVUEZDJ-UHFFFAOYSA-N -1 3 396.838 3.534 20 0 GHADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000332052495 899369956 /nfs/dbraw/zinc/36/99/56/899369956.db2.gz XQVOJZCMIXAIMP-LRDDRELGSA-N -1 3 394.269 3.648 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccn2[C@@H](C)Cc2ccccc2)n1 ZINC000824155096 899429488 /nfs/dbraw/zinc/42/94/88/899429488.db2.gz XDGQCHKPHGRQBT-INIZCTEOSA-N -1 3 378.476 3.761 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001136833060 899444526 /nfs/dbraw/zinc/44/45/26/899444526.db2.gz BGYJVAJYKWOXBV-UHFFFAOYSA-N -1 3 375.837 3.748 20 0 GHADHM CC(C)[C@@H]1CCN1C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000824226481 899467236 /nfs/dbraw/zinc/46/72/36/899467236.db2.gz ZILVXACUPAXFFD-INIZCTEOSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)[C@@H]1CCN1C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000824226481 899467239 /nfs/dbraw/zinc/46/72/39/899467239.db2.gz ZILVXACUPAXFFD-INIZCTEOSA-N -1 3 379.489 3.888 20 0 GHADHM CC(C)OCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824309381 899518070 /nfs/dbraw/zinc/51/80/70/899518070.db2.gz LVGUKKSIJCCKCV-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM CC(C)OCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824309381 899518079 /nfs/dbraw/zinc/51/80/79/899518079.db2.gz LVGUKKSIJCCKCV-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000824403434 899560161 /nfs/dbraw/zinc/56/01/61/899560161.db2.gz WWFSHKDHAPXHEF-MRXNPFEDSA-N -1 3 379.457 3.599 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000824403434 899560163 /nfs/dbraw/zinc/56/01/63/899560163.db2.gz WWFSHKDHAPXHEF-MRXNPFEDSA-N -1 3 379.457 3.599 20 0 GHADHM C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824477673 899622347 /nfs/dbraw/zinc/62/23/47/899622347.db2.gz CBEQZBNZGNGURS-BZUNDVKYSA-N -1 3 381.402 3.803 20 0 GHADHM C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824477673 899622355 /nfs/dbraw/zinc/62/23/55/899622355.db2.gz CBEQZBNZGNGURS-BZUNDVKYSA-N -1 3 381.402 3.803 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824477637 899622588 /nfs/dbraw/zinc/62/25/88/899622588.db2.gz BFMHGTZABQUJOS-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824477637 899622593 /nfs/dbraw/zinc/62/25/93/899622593.db2.gz BFMHGTZABQUJOS-JTQLQIEISA-N -1 3 391.859 3.629 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824521876 899656939 /nfs/dbraw/zinc/65/69/39/899656939.db2.gz OBHGLQOTOVMBIH-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824521876 899656945 /nfs/dbraw/zinc/65/69/45/899656945.db2.gz OBHGLQOTOVMBIH-MRVPVSSYSA-N -1 3 394.838 3.846 20 0 GHADHM C[C@@H](NCc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611588 899720334 /nfs/dbraw/zinc/72/03/34/899720334.db2.gz BYIIDQITWZXBDR-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824647658 899737056 /nfs/dbraw/zinc/73/70/56/899737056.db2.gz AWSNYYDUYHTFFT-NSHDSACASA-N -1 3 392.854 3.732 20 0 GHADHM C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824647658 899737067 /nfs/dbraw/zinc/73/70/67/899737067.db2.gz AWSNYYDUYHTFFT-NSHDSACASA-N -1 3 392.854 3.732 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824936098 899898447 /nfs/dbraw/zinc/89/84/47/899898447.db2.gz DSHKSSJDHRENSW-WQVCFCJDSA-N -1 3 383.418 3.655 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824936098 899898455 /nfs/dbraw/zinc/89/84/55/899898455.db2.gz DSHKSSJDHRENSW-WQVCFCJDSA-N -1 3 383.418 3.655 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccnc(C4CC4)c3)c2-c2nnn[n-]2)C1 ZINC000824967275 899918072 /nfs/dbraw/zinc/91/80/72/899918072.db2.gz JDEPMOCPFYHLGD-SNVBAGLBSA-N -1 3 380.477 3.578 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3ccnc(C4CC4)c3)c2-c2nn[n-]n2)C1 ZINC000824967275 899918080 /nfs/dbraw/zinc/91/80/80/899918080.db2.gz JDEPMOCPFYHLGD-SNVBAGLBSA-N -1 3 380.477 3.578 20 0 GHADHM CC[C@H]1C[C@H](OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000825182369 900014956 /nfs/dbraw/zinc/01/49/56/900014956.db2.gz IMRIESKVZHMLMV-QFBILLFUSA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@H]1C[C@H](OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000825182369 900014965 /nfs/dbraw/zinc/01/49/65/900014965.db2.gz IMRIESKVZHMLMV-QFBILLFUSA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@@H]1C[C@@H](OC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000825184346 900015962 /nfs/dbraw/zinc/01/59/62/900015962.db2.gz SGHNLVVILXOVTQ-CABCVRRESA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@@H]1C[C@@H](OC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000825184346 900015974 /nfs/dbraw/zinc/01/59/74/900015974.db2.gz SGHNLVVILXOVTQ-CABCVRRESA-N -1 3 394.431 3.773 20 0 GHADHM CC[C@H](c1nnc(NCc2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000825158874 900020129 /nfs/dbraw/zinc/02/01/29/900020129.db2.gz CUNOAEUYGOJOPT-INIZCTEOSA-N -1 3 377.477 3.872 20 0 GHADHM CC[C@H](c1nnc(NCc2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000825158874 900020135 /nfs/dbraw/zinc/02/01/35/900020135.db2.gz CUNOAEUYGOJOPT-INIZCTEOSA-N -1 3 377.477 3.872 20 0 GHADHM CCCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291226 900072791 /nfs/dbraw/zinc/07/27/91/900072791.db2.gz OLMZJPZLWGIDAE-HZPDHXFCSA-N -1 3 393.491 3.916 20 0 GHADHM CCCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291226 900072796 /nfs/dbraw/zinc/07/27/96/900072796.db2.gz OLMZJPZLWGIDAE-HZPDHXFCSA-N -1 3 393.491 3.916 20 0 GHADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ncc([O-])cc1Br ZINC001186270172 914408486 /nfs/dbraw/zinc/40/84/86/914408486.db2.gz VDQLNODRHADKBJ-UHFFFAOYSA-N -1 3 386.249 3.896 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)n(C(CC)CC)n1 ZINC000825331860 900098839 /nfs/dbraw/zinc/09/88/39/900098839.db2.gz ARUDHJHFKCZJNN-UHFFFAOYSA-N -1 3 396.499 3.807 20 0 GHADHM CCCc1c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825348498 900111489 /nfs/dbraw/zinc/11/14/89/900111489.db2.gz NOBNZQYUGZZQSD-BUHFOSPRSA-N -1 3 399.458 3.657 20 0 GHADHM CCCc1c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825348498 900111497 /nfs/dbraw/zinc/11/14/97/900111497.db2.gz NOBNZQYUGZZQSD-BUHFOSPRSA-N -1 3 399.458 3.657 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000884515552 900152445 /nfs/dbraw/zinc/15/24/45/900152445.db2.gz LQVFWLOULPVTGF-CYBMUJFWSA-N -1 3 399.834 3.665 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)c1cnn(-c2ccccc2)c1 ZINC000826420830 900228652 /nfs/dbraw/zinc/22/86/52/900228652.db2.gz DXJNILQTXDSICW-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)c1cnn(-c2ccccc2)c1 ZINC000826420830 900228664 /nfs/dbraw/zinc/22/86/64/900228664.db2.gz DXJNILQTXDSICW-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM COc1ccc(Br)c(NC(=O)c2c([O-])c(C)nc3ccccc32)n1 ZINC001149191534 900293746 /nfs/dbraw/zinc/29/37/46/900293746.db2.gz WAFQXHKYVYPJEK-UHFFFAOYSA-N -1 3 388.221 3.667 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@]2(C)Cc2ccc(Cl)s2)c(=O)[n-]1 ZINC000885241692 900436678 /nfs/dbraw/zinc/43/66/78/900436678.db2.gz DXZVBZBXLNLFJZ-GOSISDBHSA-N -1 3 379.913 3.680 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(-c4conc4C4CC4)n3)n[n-]2)c1 ZINC000573293010 900445570 /nfs/dbraw/zinc/44/55/70/900445570.db2.gz ZUBUCJDIAYYBBY-UHFFFAOYSA-N -1 3 399.208 3.817 20 0 GHADHM CCCCc1ncc(CN2CC[C@H](C)[C@@H](O)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748555 900475640 /nfs/dbraw/zinc/47/56/40/900475640.db2.gz RZYNBIJEZZFZRB-UWJYYQICSA-N -1 3 399.535 3.565 20 0 GHADHM Cc1cnn([C@H]2CCN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)C2)c1 ZINC000289968536 914455926 /nfs/dbraw/zinc/45/59/26/914455926.db2.gz RAKSNWMARGRWLD-ZDUSSCGKSA-N -1 3 381.461 3.609 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)[C@H]1CCCCS1 ZINC000826457133 900650286 /nfs/dbraw/zinc/65/02/86/900650286.db2.gz NGCBWQNZUODUCL-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)[C@H]1CCCCS1 ZINC000826457133 900650294 /nfs/dbraw/zinc/65/02/94/900650294.db2.gz NGCBWQNZUODUCL-QGZVFWFLSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ccccc1Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000826457591 900663563 /nfs/dbraw/zinc/66/35/63/900663563.db2.gz HWSQQDXYABSTPQ-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(Nc1ccccc1Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000826457591 900663567 /nfs/dbraw/zinc/66/35/67/900663567.db2.gz HWSQQDXYABSTPQ-UHFFFAOYSA-N -1 3 393.357 3.536 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@H](C2CCCC2)C1 ZINC000574308139 900846277 /nfs/dbraw/zinc/84/62/77/900846277.db2.gz YXWFBUKOULACSP-ZDUSSCGKSA-N -1 3 389.293 3.943 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1Br)C1CC1 ZINC000574453816 900897201 /nfs/dbraw/zinc/89/72/01/900897201.db2.gz ZIOYZZKTDNAOTH-GFCCVEGCSA-N -1 3 382.707 3.578 20 0 GHADHM Cc1cccc(C2(CNC(=O)NNC(=O)c3ccccc3[O-])CCCCC2)c1 ZINC000047084213 901322966 /nfs/dbraw/zinc/32/29/66/901322966.db2.gz PTMYSOQMWRFACD-UHFFFAOYSA-N -1 3 381.476 3.547 20 0 GHADHM c1csc(Oc2ccc(OCCOc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826519534 901385403 /nfs/dbraw/zinc/38/54/03/901385403.db2.gz CENAVFSQWRLDTG-UHFFFAOYSA-N -1 3 381.417 3.573 20 0 GHADHM c1csc(Oc2ccc(OCCOc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826519534 901385411 /nfs/dbraw/zinc/38/54/11/901385411.db2.gz CENAVFSQWRLDTG-UHFFFAOYSA-N -1 3 381.417 3.573 20 0 GHADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1OC ZINC000576016293 901592263 /nfs/dbraw/zinc/59/22/63/901592263.db2.gz RCSXNAGEVKEWQR-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM CCN(CC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1)C(=O)OC(C)(C)C ZINC000826554463 901629606 /nfs/dbraw/zinc/62/96/06/901629606.db2.gz XCHXOXFHJMKPRA-UHFFFAOYSA-N -1 3 394.487 3.569 20 0 GHADHM Cc1c2cccc(C)c2oc1CN(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000845125372 901820446 /nfs/dbraw/zinc/82/04/46/901820446.db2.gz MCDOIKXGBQOMBS-UHFFFAOYSA-N -1 3 381.358 3.528 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000290233226 914587601 /nfs/dbraw/zinc/58/76/01/914587601.db2.gz ZLFDZNNQFFIGSM-ZDUSSCGKSA-N -1 3 388.321 3.610 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000290233226 914587618 /nfs/dbraw/zinc/58/76/18/914587618.db2.gz ZLFDZNNQFFIGSM-ZDUSSCGKSA-N -1 3 388.321 3.610 20 0 GHADHM O=C(NCc1cccc(COCC(F)(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000126508349 902330766 /nfs/dbraw/zinc/33/07/66/902330766.db2.gz VDOHLUODPWIERJ-UHFFFAOYSA-N -1 3 386.345 3.610 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccnn1-c1cccc(Br)c1 ZINC001144622997 902520210 /nfs/dbraw/zinc/52/02/10/902520210.db2.gz GEPQZLOVUUGEHG-UHFFFAOYSA-N -1 3 390.212 3.661 20 0 GHADHM NC(=O)c1sc(-c2ccsc2)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144623962 902521804 /nfs/dbraw/zinc/52/18/04/902521804.db2.gz WYEKWSTUWKQPDE-UHFFFAOYSA-N -1 3 376.434 3.601 20 0 GHADHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000577127633 902523094 /nfs/dbraw/zinc/52/30/94/902523094.db2.gz YXIXYABPLQATLC-CQSZACIVSA-N -1 3 389.452 3.673 20 0 GHADHM C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290358316 914641540 /nfs/dbraw/zinc/64/15/40/914641540.db2.gz MAKLFISZXTWBPA-RDJZCZTQSA-N -1 3 384.442 3.563 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144659686 902611177 /nfs/dbraw/zinc/61/11/77/902611177.db2.gz PBFJWFVGOUIZAX-QUCCMNQESA-N -1 3 375.415 3.982 20 0 GHADHM CC(C)Oc1ccc2ccccc2c1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577292818 902654124 /nfs/dbraw/zinc/65/41/24/902654124.db2.gz IDGDBRTXTPYGRJ-UHFFFAOYSA-N -1 3 377.444 3.930 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000846233128 902807993 /nfs/dbraw/zinc/80/79/93/902807993.db2.gz YQBRRPDGDUPDDY-URZUPRTMSA-N -1 3 395.455 3.772 20 0 GHADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H](O)c1ccc(F)cc1Cl ZINC000846273389 902839483 /nfs/dbraw/zinc/83/94/83/902839483.db2.gz YSJBXGUNFVGEKS-KRWDZBQOSA-N -1 3 387.785 3.768 20 0 GHADHM O=C([O-])/C=C/c1ccc(OCCN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000846247478 902849099 /nfs/dbraw/zinc/84/90/99/902849099.db2.gz YDRPERUQJJVTLP-NVFKUSHMSA-N -1 3 399.462 3.748 20 0 GHADHM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000846586073 903083812 /nfs/dbraw/zinc/08/38/12/903083812.db2.gz YSNIZDXWGJRSON-INIZCTEOSA-N -1 3 389.883 3.540 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)n1 ZINC000132319368 903237839 /nfs/dbraw/zinc/23/78/39/903237839.db2.gz OXDSREGPLDVLOO-SECBINFHSA-N -1 3 380.376 3.995 20 0 GHADHM CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290493434 914705630 /nfs/dbraw/zinc/70/56/30/914705630.db2.gz XQYONKMKXRGMMV-ZBFHGGJFSA-N -1 3 384.442 3.660 20 0 GHADHM CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290493419 914706058 /nfs/dbraw/zinc/70/60/58/914706058.db2.gz XQYONKMKXRGMMV-GOEBONIOSA-N -1 3 384.442 3.660 20 0 GHADHM Cc1c(CO)cccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001186655940 914711525 /nfs/dbraw/zinc/71/15/25/914711525.db2.gz SKVWWAOYUBWPKY-UHFFFAOYSA-N -1 3 383.469 3.867 20 0 GHADHM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264811070 903395478 /nfs/dbraw/zinc/39/54/78/903395478.db2.gz VTODILOTDYXOEQ-UHFFFAOYSA-N -1 3 387.480 3.754 20 0 GHADHM CC(C)[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)NC(=O)OC(C)(C)C ZINC001146208409 903469990 /nfs/dbraw/zinc/46/99/90/903469990.db2.gz SAJXEONKWPGRRJ-CQSZACIVSA-N -1 3 378.494 3.886 20 0 GHADHM CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2sccc2c([O-])c1 ZINC001146316856 903510047 /nfs/dbraw/zinc/51/00/47/903510047.db2.gz KFNVXPXGTXXNNX-UHFFFAOYSA-N -1 3 382.485 3.716 20 0 GHADHM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000135003728 903609801 /nfs/dbraw/zinc/60/98/01/903609801.db2.gz IUQBPJLSSANKND-LJQANCHMSA-N -1 3 395.528 3.789 20 0 GHADHM CC(=O)c1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1[O-] ZINC001147503575 903808251 /nfs/dbraw/zinc/80/82/51/903808251.db2.gz AZCVUFLKWJOMKV-FQEVSTJZSA-N -1 3 381.472 3.767 20 0 GHADHM Cc1c(F)cccc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001147888641 903892380 /nfs/dbraw/zinc/89/23/80/903892380.db2.gz SMEODOLGANEMBP-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)c(F)n1 ZINC001186755664 914767207 /nfs/dbraw/zinc/76/72/07/914767207.db2.gz KFFSMFPMMPVODM-UHFFFAOYSA-N -1 3 384.738 3.882 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1cccc(-n2cccn2)c1 ZINC001148067954 903959322 /nfs/dbraw/zinc/95/93/22/903959322.db2.gz DTYVKMWHHZTPPX-ZDUSSCGKSA-N -1 3 392.846 3.858 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c([O-])c1 ZINC000887897853 903991354 /nfs/dbraw/zinc/99/13/54/903991354.db2.gz OLIGAHUSTAHRBO-CYBMUJFWSA-N -1 3 379.382 3.954 20 0 GHADHM COc1cccc([O-])c1C(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 ZINC001148362739 904055271 /nfs/dbraw/zinc/05/52/71/904055271.db2.gz MFCIWLGJIFZINU-UHFFFAOYSA-N -1 3 396.487 3.947 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cc1[O-] ZINC001148586581 904127803 /nfs/dbraw/zinc/12/78/03/904127803.db2.gz DDVPJCKUIDGUFD-UHFFFAOYSA-N -1 3 392.224 3.695 20 0 GHADHM C[C@@]12CN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000578960096 904257641 /nfs/dbraw/zinc/25/76/41/904257641.db2.gz BYDVLTSHEPRYRS-NSQZSPDQSA-N -1 3 399.288 3.575 20 0 GHADHM CC(C)c1csc(CNC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000152903252 904311469 /nfs/dbraw/zinc/31/14/69/904311469.db2.gz OEISNTIONKBVSO-UHFFFAOYSA-N -1 3 384.299 3.734 20 0 GHADHM COc1ccccc1-c1noc([C@H](C)N[C@@H]2CCC[C@H](C(F)(F)C(=O)[O-])C2)n1 ZINC000901464388 921134466 /nfs/dbraw/zinc/13/44/66/921134466.db2.gz IPEHDKGEJDJGTD-RWMBFGLXSA-N -1 3 395.406 3.675 20 0 GHADHM CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000365753356 921135642 /nfs/dbraw/zinc/13/56/42/921135642.db2.gz YWFIKARCIKFNOA-UHFFFAOYSA-N -1 3 392.858 3.566 20 0 GHADHM CSCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768547 905661851 /nfs/dbraw/zinc/66/18/51/905661851.db2.gz ZNPCFOSPLLVKMG-UHFFFAOYSA-N -1 3 384.929 3.756 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccnc3c(Br)cccc13)CC2 ZINC000901498690 921173504 /nfs/dbraw/zinc/17/35/04/921173504.db2.gz DDOQAXMURGQHIP-AWEZNQCLSA-N -1 3 375.266 3.684 20 0 GHADHM Cn1c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc2cc(C(F)(F)F)ccc21 ZINC000901521659 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20 0 GHADHM C[C@]1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]2C[C@H]2C1 ZINC000629047478 906461385 /nfs/dbraw/zinc/46/13/85/906461385.db2.gz HWJWMBUJVPDNLK-NMNFXAFOSA-N -1 3 392.499 3.806 20 0 GHADHM CC(C)(O)CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C1CC1 ZINC000299302752 921285233 /nfs/dbraw/zinc/28/52/33/921285233.db2.gz NACHRPZKCFLMFR-UHFFFAOYSA-N -1 3 387.480 3.938 20 0 GHADHM O=C([O-])CC1(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCCC1 ZINC000299357591 921302082 /nfs/dbraw/zinc/30/20/82/921302082.db2.gz UBJGUKQPAHPVRI-HXUWFJFHSA-N -1 3 386.536 3.973 20 0 GHADHM CCOc1nnc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)[n-]1 ZINC001174745711 907204828 /nfs/dbraw/zinc/20/48/28/907204828.db2.gz SQDVBNUWELYTEZ-UHFFFAOYSA-N -1 3 393.419 3.521 20 0 GHADHM CCOc1nc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n[n-]1 ZINC001174745711 907204842 /nfs/dbraw/zinc/20/48/42/907204842.db2.gz SQDVBNUWELYTEZ-UHFFFAOYSA-N -1 3 393.419 3.521 20 0 GHADHM CCOc1n[n-]c(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1 ZINC001174745711 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3.573 20 0 GHADHM COc1cc(CC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])ccc1F ZINC001180425961 910132414 /nfs/dbraw/zinc/13/24/14/910132414.db2.gz PGIPVYGEBAAHPE-UHFFFAOYSA-N -1 3 375.396 3.676 20 0 GHADHM Cc1noc(C)c1COc1ccc(CC(=O)[N-]OCCOc2ccccc2)cc1 ZINC001180637285 910279212 /nfs/dbraw/zinc/27/92/12/910279212.db2.gz CLYJTWUEINLQGB-UHFFFAOYSA-N -1 3 396.443 3.540 20 0 GHADHM COc1cccc2c1CCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C2 ZINC001180637163 910279746 /nfs/dbraw/zinc/27/97/46/910279746.db2.gz ASLMPCMZPPSMAQ-OAHLLOKOSA-N -1 3 390.277 3.841 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](C)N3CCc4ccccc43)n[n-]2)cc1 ZINC001180842444 910374455 /nfs/dbraw/zinc/37/44/55/910374455.db2.gz GGOXHPRSMJXYSP-HNNXBMFYSA-N -1 3 393.516 3.795 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](C)Oc3ccc(C=O)cc3)n[n-]2)cc1 ZINC001180842118 910375734 /nfs/dbraw/zinc/37/57/34/910375734.db2.gz AUACSZHVEQTCFV-AWEZNQCLSA-N -1 3 396.472 3.624 20 0 GHADHM CCOc1cc(CN2CCO[C@@H](COc3ccccc3)C2)cc(Cl)c1[O-] ZINC001180859197 910399544 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COc1ccccc1SC[C@H](C)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270822913 910708917 /nfs/dbraw/zinc/70/89/17/910708917.db2.gz YXJHRXVISZJJCW-CYBMUJFWSA-N -1 3 391.489 3.576 20 0 GHADHM CCOc1ccc(C2=CCN(C(=O)c3cc(OC)c([O-])c(OC)c3)CC2)cc1 ZINC000271104765 910782379 /nfs/dbraw/zinc/78/23/79/910782379.db2.gz UUUXSARQSWISSG-UHFFFAOYSA-N -1 3 383.444 3.738 20 0 GHADHM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)C12CC(C1)CCN2Cc1ccccc1 ZINC001181487418 910816423 /nfs/dbraw/zinc/81/64/23/910816423.db2.gz YTRLGJQJLIKXKV-UHFFFAOYSA-N -1 3 388.471 3.571 20 0 GHADHM O=C(CCc1cccc(OC(F)(F)F)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001181687538 910896481 /nfs/dbraw/zinc/89/64/81/910896481.db2.gz NRQHJFRIVGTYSD-UHFFFAOYSA-N -1 3 393.321 3.511 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(c2nccs2)CCCC1 ZINC000640293150 910952746 /nfs/dbraw/zinc/95/27/46/910952746.db2.gz RIEOTWJZWOHFQL-UHFFFAOYSA-N -1 3 393.822 3.568 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC[C@@](F)(c2ccccc2)C1 ZINC000640300234 910958120 /nfs/dbraw/zinc/95/81/20/910958120.db2.gz GHSPPMXATUJNAL-HNNXBMFYSA-N -1 3 390.768 3.623 20 0 GHADHM CC(C)[C@@H]1N(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC12CC=CC2 ZINC000640304013 910962059 /nfs/dbraw/zinc/96/20/59/910962059.db2.gz XSPSMWOOLADLNP-LBPRGKRZSA-N -1 3 376.810 3.729 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](COC)c1ccc(F)c(F)c1 ZINC000774023201 911261485 /nfs/dbraw/zinc/26/14/85/911261485.db2.gz FCBJZEGDAHMGEX-INIZCTEOSA-N -1 3 385.357 3.959 20 0 GHADHM COc1cc(C)ccc1CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001182462003 911752058 /nfs/dbraw/zinc/75/20/58/911752058.db2.gz NRHSXLUTGUNLCK-MRXNPFEDSA-N -1 3 378.394 3.613 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)cs1 ZINC000642346662 912006532 /nfs/dbraw/zinc/00/65/32/912006532.db2.gz UKCOKOAKHIAHOE-LLVKDONJSA-N -1 3 382.489 3.651 20 0 GHADHM O=C(N=c1[n-]nc(-c2ccccc2)s1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000642443739 912078657 /nfs/dbraw/zinc/07/86/57/912078657.db2.gz YSJBKIWVAXRJMH-GOSISDBHSA-N -1 3 393.516 3.586 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](c1cncc(Br)c1)C1CC1 ZINC000284948930 912088928 /nfs/dbraw/zinc/08/89/28/912088928.db2.gz PUUZSYVVBHMYBH-AWEZNQCLSA-N -1 3 396.235 3.907 20 0 GHADHM CC(=O)c1ccc(OCc2ccccc2)c(NC(=O)NCC2CCOCC2)c1[O-] ZINC001186946303 914909543 /nfs/dbraw/zinc/90/95/43/914909543.db2.gz WKJUBGCPIVXBKE-UHFFFAOYSA-N -1 3 398.459 3.722 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000646957066 914949127 /nfs/dbraw/zinc/94/91/27/914949127.db2.gz UNBKHBPKDWVUNJ-INIZCTEOSA-N -1 3 391.349 3.501 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001186990737 914960780 /nfs/dbraw/zinc/96/07/80/914960780.db2.gz DLJZDASFRPXBHI-UHFFFAOYSA-N -1 3 393.428 3.510 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001186990737 914960788 /nfs/dbraw/zinc/96/07/88/914960788.db2.gz DLJZDASFRPXBHI-UHFFFAOYSA-N -1 3 393.428 3.510 20 0 GHADHM COc1ccc(OCC(=O)Nc2cc(Br)ccc2[O-])c(Cl)c1 ZINC001187286327 915153718 /nfs/dbraw/zinc/15/37/18/915153718.db2.gz KUDRLZFJQSUTJA-UHFFFAOYSA-N -1 3 386.629 3.834 20 0 GHADHM Cc1cccc(F)c1C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001187397782 915221052 /nfs/dbraw/zinc/22/10/52/915221052.db2.gz XMLURVZYHMLOAM-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNc2ncc(C(=O)[O-])cc2Cl)N(C)C)cc1 ZINC000647455321 915269806 /nfs/dbraw/zinc/26/98/06/915269806.db2.gz VZZVUAQBNCOJIF-QGZVFWFLSA-N -1 3 377.872 3.935 20 0 GHADHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001187464552 915275321 /nfs/dbraw/zinc/27/53/21/915275321.db2.gz VVZGTFDCEHTWMG-UHFFFAOYSA-N -1 3 383.853 3.798 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CCc2cnc3[nH]ccc3c2)c([O-])c1 ZINC001187557889 915323490 /nfs/dbraw/zinc/32/34/90/915323490.db2.gz SGTMGHICCYLSNH-UHFFFAOYSA-N -1 3 381.432 3.795 20 0 GHADHM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800327 915389145 /nfs/dbraw/zinc/38/91/45/915389145.db2.gz WQTYEMAOIHPEBF-UHFFFAOYSA-N -1 3 382.420 3.636 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc3cc(Br)ccc3o2)C[C@H]1C(F)(F)F ZINC000901965060 921775474 /nfs/dbraw/zinc/77/54/74/921775474.db2.gz IZDLQPHUBVWCBJ-VXGBXAGGSA-N -1 3 392.171 3.890 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)c1 ZINC001187907489 915589221 /nfs/dbraw/zinc/58/92/21/915589221.db2.gz UJULARCPTCMXQN-NSHDSACASA-N -1 3 381.910 3.563 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cn(C2CCC2)nn1 ZINC000648376619 915661927 /nfs/dbraw/zinc/66/19/27/915661927.db2.gz LJGAZRSWRXSCNK-UHFFFAOYSA-N -1 3 378.820 3.566 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(Cl)c1)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188098288 915755964 /nfs/dbraw/zinc/75/59/64/915755964.db2.gz PPRIXPJPGXZAAU-CYBMUJFWSA-N -1 3 392.695 3.866 20 0 GHADHM CCOc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc(Br)c1OC ZINC000902006499 921808439 /nfs/dbraw/zinc/80/84/39/921808439.db2.gz GBLDVTQJUFLVTK-WOSRLPQWSA-N -1 3 398.297 3.542 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1ccc2ccccc2c1)OCC ZINC001188583107 916064066 /nfs/dbraw/zinc/06/40/66/916064066.db2.gz WMOWXXSJYXJECS-UHFFFAOYSA-N -1 3 396.447 3.921 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)nc1Cl)c1ccc(Oc2cccnc2)cc1 ZINC001188858376 916262368 /nfs/dbraw/zinc/26/23/68/916262368.db2.gz RKJTZWXFOXNHOO-UHFFFAOYSA-N -1 3 397.243 3.772 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)c1 ZINC001189232103 916480378 /nfs/dbraw/zinc/48/03/78/916480378.db2.gz AETOZPDNQNYOGW-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM COc1cc(Br)cc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1 ZINC001189453089 916658104 /nfs/dbraw/zinc/65/81/04/916658104.db2.gz CINXRUABJUBWKN-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM O=C(c1ccncc1)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1 ZINC001189456435 916662217 /nfs/dbraw/zinc/66/22/17/916662217.db2.gz VIADLURPFZGBEO-UHFFFAOYSA-N -1 3 388.395 3.533 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1cccc(C)c1C ZINC001189498274 916679295 /nfs/dbraw/zinc/67/92/95/916679295.db2.gz PSSZURHQSDMKRG-LJQANCHMSA-N -1 3 375.490 3.503 20 0 GHADHM Cc1nc2c([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)cccn2c1C ZINC001189502645 916682536 /nfs/dbraw/zinc/68/25/36/916682536.db2.gz FHJGWOUUPZEOAE-UHFFFAOYSA-N -1 3 383.395 3.912 20 0 GHADHM COc1cc(CNCc2c(F)ccc([O-])c2F)ccc1OCC(F)(F)F ZINC000294285446 916708256 /nfs/dbraw/zinc/70/82/56/916708256.db2.gz PDPGJKXRZQHPAC-UHFFFAOYSA-N -1 3 377.309 3.910 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C2CCCCC2)C1 ZINC000294404473 916788733 /nfs/dbraw/zinc/78/87/33/916788733.db2.gz TZJPTATUFGAFSA-UHFFFAOYSA-N -1 3 380.492 3.524 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c(F)c3)cccc21 ZINC000650199571 916792240 /nfs/dbraw/zinc/79/22/40/916792240.db2.gz WNSAOSCDZQNWHS-INIZCTEOSA-N -1 3 384.860 3.665 20 0 GHADHM COc1ccnc([N-]C(=O)c2sc(Br)nc2C(F)(F)F)c1 ZINC001189656764 916817888 /nfs/dbraw/zinc/81/78/88/916817888.db2.gz NRVFQSHWAPKUQL-UHFFFAOYSA-N -1 3 382.161 3.580 20 0 GHADHM C[C@H](CCCC(C)(C)O)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189766160 916901695 /nfs/dbraw/zinc/90/16/95/916901695.db2.gz VTPZTVYIBLXQLT-SNVBAGLBSA-N -1 3 398.750 3.711 20 0 GHADHM O=C(NCc1cc(C(F)(F)F)ccn1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766617 916902123 /nfs/dbraw/zinc/90/21/23/916902123.db2.gz XUOBXWFTWPNNEP-UHFFFAOYSA-N -1 3 380.244 3.635 20 0 GHADHM O=C(NCc1cccc(C(F)(F)F)n1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189775269 916910406 /nfs/dbraw/zinc/91/04/06/916910406.db2.gz YLEOUHJFTMFEHW-UHFFFAOYSA-N -1 3 380.244 3.635 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c(F)c1 ZINC001189863286 916964406 /nfs/dbraw/zinc/96/44/06/916964406.db2.gz GOUGTFJWXYBTOV-UHFFFAOYSA-N -1 3 399.871 3.567 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc2c1OCCC2 ZINC000650455335 916990641 /nfs/dbraw/zinc/99/06/41/916990641.db2.gz VAHWABIVGXZISB-UHFFFAOYSA-N -1 3 386.517 3.717 20 0 GHADHM CN(C(=O)CN1CCCC[C@H]1CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000650503988 917038649 /nfs/dbraw/zinc/03/86/49/917038649.db2.gz KGKLEELOTHKYOL-FQEVSTJZSA-N -1 3 380.488 3.564 20 0 GHADHM O=S(=O)([N-]c1c(Cl)cccc1CO)c1cc(F)cc(C(F)(F)F)c1 ZINC001189982466 917042911 /nfs/dbraw/zinc/04/29/11/917042911.db2.gz RKEDQLFFIORATG-UHFFFAOYSA-N -1 3 383.750 3.791 20 0 GHADHM COc1nc(S(=O)(=O)[N-][C@@H](C)c2cc(Cl)ccc2Cl)ccc1F ZINC001190108539 917101130 /nfs/dbraw/zinc/10/11/30/917101130.db2.gz SVPONHFPIZLYCK-QMMMGPOBSA-N -1 3 379.240 3.576 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001190120002 917141685 /nfs/dbraw/zinc/14/16/85/917141685.db2.gz CWAHMXRNYYFUSL-SBUREZEXSA-N -1 3 397.471 3.588 20 0 GHADHM COc1cc([O-])c(C(=O)N2CCC3(CCCc4ccccc43)CC2)c(OC)c1 ZINC001190120393 917141860 /nfs/dbraw/zinc/14/18/60/917141860.db2.gz FXPBDMIXCWUJFC-UHFFFAOYSA-N -1 3 381.472 3.920 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC(C)(C)N1O ZINC001190339581 917270849 /nfs/dbraw/zinc/27/08/49/917270849.db2.gz YTAHUUPGQALNLP-UHFFFAOYSA-N -1 3 398.422 3.534 20 0 GHADHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC001190420908 917327530 /nfs/dbraw/zinc/32/75/30/917327530.db2.gz QPKGEXJSDAOMGJ-QWHCGFSZSA-N -1 3 381.519 3.793 20 0 GHADHM COC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(Cl)cc1 ZINC001190429075 917333193 /nfs/dbraw/zinc/33/31/93/917333193.db2.gz JXRVUYSCEDCVQV-LBPRGKRZSA-N -1 3 392.279 3.841 20 0 GHADHM Cn1nc(C(F)(F)F)c(C(=O)[N-]c2csc(Br)n2)c1Cl ZINC001190527425 917385149 /nfs/dbraw/zinc/38/51/49/917385149.db2.gz GVPVKXMRIPKAPN-UHFFFAOYSA-N -1 3 389.584 3.564 20 0 GHADHM O=C(Cc1cn2c(n1)CCCC2)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000651472781 917613525 /nfs/dbraw/zinc/61/35/25/917613525.db2.gz JLRBWXOYQWXFKS-UHFFFAOYSA-N -1 3 390.274 3.519 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)c(C)c1 ZINC001191006068 917701658 /nfs/dbraw/zinc/70/16/58/917701658.db2.gz VUOFYDNNOZURNE-UHFFFAOYSA-N -1 3 398.406 3.556 20 0 GHADHM Cn1c(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc2ccc(Br)cc21 ZINC000652498562 917912393 /nfs/dbraw/zinc/91/23/93/917912393.db2.gz MFTXJRHRSQTVJX-LBPRGKRZSA-N -1 3 394.313 3.659 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000652758726 918004890 /nfs/dbraw/zinc/00/48/90/918004890.db2.gz GQODRQQVZYUGLD-IINYFYTJSA-N -1 3 377.282 3.845 20 0 GHADHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC ZINC001191779815 918213336 /nfs/dbraw/zinc/21/33/36/918213336.db2.gz OVLDCRJTTHQHNI-BXKDBHETSA-N -1 3 382.309 3.558 20 0 GHADHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1Cl ZINC001191820636 918243496 /nfs/dbraw/zinc/24/34/96/918243496.db2.gz DVCBITRJXRHIOI-UHFFFAOYSA-N -1 3 383.853 3.635 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C3CC3)[C@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000653945672 918612064 /nfs/dbraw/zinc/61/20/64/918612064.db2.gz HGVFMXWVZWENQM-QUCCMNQESA-N -1 3 382.464 3.627 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000380693333 919306508 /nfs/dbraw/zinc/30/65/08/919306508.db2.gz MHFWLVCPMZWJOU-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOc1ccc(O[C@H](C)C(=O)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000014864433 919342873 /nfs/dbraw/zinc/34/28/73/919342873.db2.gz MKZDAQJCEDOEFV-LLVKDONJSA-N -1 3 397.258 3.621 20 0 GHADHM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000115646993 919463466 /nfs/dbraw/zinc/46/34/66/919463466.db2.gz UQDIFGXPPHMJOY-GDBMZVCRSA-N -1 3 381.432 3.873 20 0 GHADHM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000115646993 919463476 /nfs/dbraw/zinc/46/34/76/919463476.db2.gz UQDIFGXPPHMJOY-GDBMZVCRSA-N -1 3 381.432 3.873 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000280245907 919575723 /nfs/dbraw/zinc/57/57/23/919575723.db2.gz IJFSZUJBNAPJNG-GOEBONIOSA-N -1 3 384.476 3.921 20 0 GHADHM COc1ccc(-c2nc(CNCCc3nc(C(=O)[O-])c(C)s3)cs2)cc1 ZINC000900059718 919785645 /nfs/dbraw/zinc/78/56/45/919785645.db2.gz RZDYLIUFRCHBOC-UHFFFAOYSA-N -1 3 389.502 3.614 20 0 GHADHM CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1 ZINC000800448978 920110191 /nfs/dbraw/zinc/11/01/91/920110191.db2.gz KOGYCCZYGZJUKJ-UHFFFAOYSA-N -1 3 395.482 3.793 20 0 GHADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000800658220 920343601 /nfs/dbraw/zinc/34/36/01/920343601.db2.gz KCIGNLCCGQPBHH-RBUKOAKNSA-N -1 3 396.487 3.834 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c(C)c1Cl ZINC000800951677 920636182 /nfs/dbraw/zinc/63/61/82/920636182.db2.gz MHGVXAHPYGMFTH-MRVPVSSYSA-N -1 3 379.912 3.598 20 0 GHADHM Cc1nc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)sc1C(=O)[O-] ZINC000900935619 920745642 /nfs/dbraw/zinc/74/56/42/920745642.db2.gz YTVZRMGTXCKVCS-UHFFFAOYSA-N -1 3 399.438 3.881 20 0 GHADHM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000902174016 921952002 /nfs/dbraw/zinc/95/20/02/921952002.db2.gz LUMSCYXUHLCFRQ-ZDUSSCGKSA-N -1 3 383.366 3.942 20 0 GHADHM COc1ccc(-c2ccc(CNCc3c(C)nn(CCC(=O)[O-])c3C)cc2)cc1 ZINC000902321762 922087235 /nfs/dbraw/zinc/08/72/35/922087235.db2.gz LZJMJGNBJRLPJB-UHFFFAOYSA-N -1 3 393.487 3.940 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC2(CCc3ccccc3C2)CC1 ZINC000902343546 922106032 /nfs/dbraw/zinc/10/60/32/922106032.db2.gz RZHKBAFMHKPOPD-UHFFFAOYSA-N -1 3 381.520 3.746 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1Br ZINC000902473361 922223563 /nfs/dbraw/zinc/22/35/63/922223563.db2.gz BDMZTYOEOUAWBV-YOEHRIQHSA-N -1 3 382.298 3.928 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1Br ZINC000902473358 922224070 /nfs/dbraw/zinc/22/40/70/922224070.db2.gz BDMZTYOEOUAWBV-PBHICJAKSA-N -1 3 382.298 3.928 20 0 GHADHM COc1cccc(CC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000368176078 922516879 /nfs/dbraw/zinc/51/68/79/922516879.db2.gz XMALUMQVBWWUQA-UHFFFAOYSA-N -1 3 376.456 3.632 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1(c2cccnc2)CCCC1 ZINC000368199361 922528688 /nfs/dbraw/zinc/52/86/88/922528688.db2.gz FVCSFDBZBBCBTG-UHFFFAOYSA-N -1 3 375.266 3.678 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3COC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000902916662 922600991 /nfs/dbraw/zinc/60/09/91/922600991.db2.gz ZGCVSXBYNYRQMQ-KRWDZBQOSA-N -1 3 384.480 3.969 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803279520 922850079 /nfs/dbraw/zinc/85/00/79/922850079.db2.gz JTHFMVGNKQAPOM-HKUYNNGSSA-N -1 3 385.847 3.881 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000903631333 923139847 /nfs/dbraw/zinc/13/98/47/923139847.db2.gz MRJJGPJBFPPIAK-LRDDRELGSA-N -1 3 395.322 3.986 20 0 GHADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000383757805 923331798 /nfs/dbraw/zinc/33/17/98/923331798.db2.gz YDZMOEQWHXLHKA-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1csc(C[C@H]2CCN(Cc3cc(C(=O)[O-])ccc3Br)C2)n1 ZINC000903936874 923411300 /nfs/dbraw/zinc/41/13/00/923411300.db2.gz YDRKMRZTKVLXTG-GFCCVEGCSA-N -1 3 395.322 3.977 20 0 GHADHM O=C([O-])c1csc(CN2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000903935474 923412107 /nfs/dbraw/zinc/41/21/07/923412107.db2.gz ZTRWWRGCHXWWSV-CYBMUJFWSA-N -1 3 381.295 3.811 20 0 GHADHM Cc1ccc(Br)cc1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903940585 923415816 /nfs/dbraw/zinc/41/58/16/923415816.db2.gz HFLADXQFVHVFKQ-IAOVAPTHSA-N -1 3 382.298 3.602 20 0 GHADHM Cc1ccnc(C2CCN([C@H](C(=O)[O-])c3cccc(Br)c3)CC2)n1 ZINC000903960900 923439269 /nfs/dbraw/zinc/43/92/69/923439269.db2.gz GRJBWYIKOAQYBG-INIZCTEOSA-N -1 3 390.281 3.553 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@@H](C)c2cc(Cl)ccc2OC(F)F)c(=O)[n-]1 ZINC000749090002 924017357 /nfs/dbraw/zinc/01/73/57/924017357.db2.gz LYIIKEFWPYVZHM-VIFPVBQESA-N -1 3 386.782 3.901 20 0 GHADHM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000749153182 924051509 /nfs/dbraw/zinc/05/15/09/924051509.db2.gz AEYJKBVRDILUGK-UHFFFAOYSA-N -1 3 392.477 3.787 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000749158713 924054113 /nfs/dbraw/zinc/05/41/13/924054113.db2.gz YBTSQWMBJSHTSH-UHFFFAOYSA-N -1 3 383.260 3.683 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc4ccccc4n3C3CC3)c[n-]c12 ZINC000677295707 924317464 /nfs/dbraw/zinc/31/74/64/924317464.db2.gz QRHKKYBSCUPEHL-UHFFFAOYSA-N -1 3 376.391 3.913 20 0 GHADHM COc1cc2c(cc1CN1CCC(C(=O)c3ccc([O-])cc3)CC1)O[C@H](C)C2 ZINC000678129912 924623405 /nfs/dbraw/zinc/62/34/05/924623405.db2.gz HLZBJPGEKUIXLD-OAHLLOKOSA-N -1 3 381.472 3.819 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cnc(Oc2ccccc2)cn1 ZINC000678614190 924839830 /nfs/dbraw/zinc/83/98/30/924839830.db2.gz QGZUIVRYGBJSTB-UHFFFAOYSA-N -1 3 389.440 3.964 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000372129161 925178757 /nfs/dbraw/zinc/17/87/57/925178757.db2.gz UCSLOWRYFIBNHF-UHFFFAOYSA-N -1 3 382.410 3.901 20 0 GHADHM O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000680431921 925475688 /nfs/dbraw/zinc/47/56/88/925475688.db2.gz TYEDZHZWUMMNJG-MRXNPFEDSA-N -1 3 378.394 3.767 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000410415198 925620735 /nfs/dbraw/zinc/62/07/35/925620735.db2.gz CXQKVRYMNWHOBL-UHFFFAOYSA-N -1 3 388.489 3.649 20 0 GHADHM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410418682 925636848 /nfs/dbraw/zinc/63/68/48/925636848.db2.gz LKZZBDJEGXWDBW-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681058523 925711350 /nfs/dbraw/zinc/71/13/50/925711350.db2.gz QGHNSPNWAXRBMT-GOSISDBHSA-N -1 3 394.450 3.736 20 0 GHADHM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000681058094 925711453 /nfs/dbraw/zinc/71/14/53/925711453.db2.gz JIDUBFVBGOUZNJ-SFHVURJKSA-N -1 3 394.450 3.736 20 0 GHADHM COc1ccccc1-c1noc(C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)n1 ZINC000372871509 925751172 /nfs/dbraw/zinc/75/11/72/925751172.db2.gz QKGHLZSIGHTAIA-UHFFFAOYSA-N -1 3 393.443 3.779 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000681500705 925839291 /nfs/dbraw/zinc/83/92/91/925839291.db2.gz ZYWDFEPVOUOCCP-AWEZNQCLSA-N -1 3 378.272 3.912 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1cccc(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000466874194 925914914 /nfs/dbraw/zinc/91/49/14/925914914.db2.gz VPMNSCHXVVICNC-UHFFFAOYSA-N -1 3 386.367 3.654 20 0 GHADHM COC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1NC(C)=O)c1ccc(F)c(F)c1 ZINC000827798552 926007317 /nfs/dbraw/zinc/00/73/17/926007317.db2.gz QHBONYDSPXSAKI-QGZVFWFLSA-N -1 3 398.356 3.519 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Cc3ccc(F)cc3)c2)n1 ZINC000149041201 926381072 /nfs/dbraw/zinc/38/10/72/926381072.db2.gz MKXHAPVSWAGABH-CQSZACIVSA-N -1 3 379.435 3.956 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1cc2ccccc2o1 ZINC000392469224 926406587 /nfs/dbraw/zinc/40/65/87/926406587.db2.gz SIJNAIWSTNHOPT-SECBINFHSA-N -1 3 381.866 3.835 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1ccc(Cl)nc1Cl ZINC000725826879 926460414 /nfs/dbraw/zinc/46/04/14/926460414.db2.gz ZNKTYFANCSHSKD-UHFFFAOYSA-N -1 3 397.283 3.899 20 0 GHADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](CO)CC(C)(C)C ZINC000411789253 926772066 /nfs/dbraw/zinc/77/20/66/926772066.db2.gz HMAKLOHQNPNFPY-LBPRGKRZSA-N -1 3 375.494 3.886 20 0 GHADHM COc1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1OC1CCCC1 ZINC000412112275 927107017 /nfs/dbraw/zinc/10/70/17/927107017.db2.gz GZCXSNOCWKWQCW-UHFFFAOYSA-N -1 3 383.444 3.855 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000412209904 927211654 /nfs/dbraw/zinc/21/16/54/927211654.db2.gz GLGLMXJOJHYDGB-HKUYNNGSSA-N -1 3 390.842 3.563 20 0 GHADHM [O-]c1ccc(NC(=S)NC[C@H]2CCOC2)cc1-c1nc2ccccc2s1 ZINC000749640289 927220069 /nfs/dbraw/zinc/22/00/69/927220069.db2.gz SAPUXJAZXPGYMP-GFCCVEGCSA-N -1 3 385.514 3.992 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3cnn(C)c3)c3ccccc3)nc2)n1 ZINC000374609367 927334301 /nfs/dbraw/zinc/33/43/01/927334301.db2.gz FAWSYVLTVMPWDV-NRFANRHFSA-N -1 3 386.459 3.742 20 0 GHADHM C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412338422 927351123 /nfs/dbraw/zinc/35/11/23/927351123.db2.gz SJHGLTCYSVDHOQ-CEQIKUNHSA-N -1 3 388.895 3.727 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1[O-] ZINC000412423796 927434885 /nfs/dbraw/zinc/43/48/85/927434885.db2.gz LBJFBGSQRMNMTB-UHFFFAOYSA-N -1 3 378.350 3.725 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC[C@H]2CCOC2)CC1 ZINC000374922255 927703466 /nfs/dbraw/zinc/70/34/66/927703466.db2.gz YKJRBMMCZIXYAL-FQEVSTJZSA-N -1 3 395.499 3.641 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375584743 928473271 /nfs/dbraw/zinc/47/32/71/928473271.db2.gz VXPHFTOVKVENDA-GOSISDBHSA-N -1 3 389.455 3.873 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)ccc1F ZINC000752413219 928816445 /nfs/dbraw/zinc/81/64/45/928816445.db2.gz GQLMLSFGBPNANU-IBGZPJMESA-N -1 3 392.496 3.512 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1F ZINC000752503286 928853047 /nfs/dbraw/zinc/85/30/47/928853047.db2.gz NGIGZXOPRGKZMW-UHFFFAOYSA-N -1 3 396.443 3.557 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C=CCCC3)c2)cc1 ZINC000467274252 928903484 /nfs/dbraw/zinc/90/34/84/928903484.db2.gz FSTNGJLYLBGTTF-QGZVFWFLSA-N -1 3 384.501 3.943 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000752818710 929037507 /nfs/dbraw/zinc/03/75/07/929037507.db2.gz FRKMYTSKXSYMLZ-FQEVSTJZSA-N -1 3 396.462 3.542 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cccnc1Cl ZINC000752835753 929046768 /nfs/dbraw/zinc/04/67/68/929046768.db2.gz WCRVVOWVKXIXHO-SNVBAGLBSA-N -1 3 393.679 3.844 20 0 GHADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc3cccc(Cl)c3o2)s1 ZINC000753182191 929240760 /nfs/dbraw/zinc/24/07/60/929240760.db2.gz ZHXSAMQZGHTFAQ-UHFFFAOYSA-N -1 3 397.865 3.845 20 0 GHADHM CC1(C)Cc2ccc(-c3nc(-c4cccnc4N4CCCC4)no3)c([O-])c2O1 ZINC000544510908 929245688 /nfs/dbraw/zinc/24/56/88/929245688.db2.gz WFSHMBHHHCMGCP-UHFFFAOYSA-N -1 3 378.432 3.818 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc(F)cc1Br ZINC000467711348 929326966 /nfs/dbraw/zinc/32/69/66/929326966.db2.gz SMIAEHDSZWNUEZ-UHFFFAOYSA-N -1 3 396.166 3.931 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)ccc1Br ZINC000467715653 929331157 /nfs/dbraw/zinc/33/11/57/929331157.db2.gz STSOSVHCBCREHJ-UHFFFAOYSA-N -1 3 396.166 3.931 20 0 GHADHM CCC(=O)c1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000757100241 929639778 /nfs/dbraw/zinc/63/97/78/929639778.db2.gz VFYFKOVKDYUHDW-UHFFFAOYSA-N -1 3 380.213 3.817 20 0 GHADHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000545986575 929748949 /nfs/dbraw/zinc/74/89/49/929748949.db2.gz UYPHHLDVCGSLHE-NRFANRHFSA-N -1 3 390.439 3.716 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000546132521 929885892 /nfs/dbraw/zinc/88/58/92/929885892.db2.gz APJNXFJTWYCTOT-AZUAARDMSA-N -1 3 395.455 3.785 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3nc(C4CC4)no3)cc2)cc1 ZINC000546316903 930049779 /nfs/dbraw/zinc/04/97/79/930049779.db2.gz PIOLLNISOIYCAB-YIXHJXPBSA-N -1 3 397.456 3.927 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000469642835 930050862 /nfs/dbraw/zinc/05/08/62/930050862.db2.gz OCJRXDFPIBGFHA-UHFFFAOYSA-N -1 3 389.442 3.589 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000469798251 930168561 /nfs/dbraw/zinc/16/85/61/930168561.db2.gz MDWAEJMJNTXTTL-MRXNPFEDSA-N -1 3 376.859 3.903 20 0 GHADHM Cc1nc(C)c(Cc2nc(CCc3c(Cl)cccc3Cl)no2)c(=O)[n-]1 ZINC000546497991 930220173 /nfs/dbraw/zinc/22/01/73/930220173.db2.gz AHCRJPPSHJXJRZ-UHFFFAOYSA-N -1 3 379.247 3.865 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(C(F)(F)F)cc1Br ZINC000469931428 930265130 /nfs/dbraw/zinc/26/51/30/930265130.db2.gz YNDFUKIXWRCCSH-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000759654772 930441327 /nfs/dbraw/zinc/44/13/27/930441327.db2.gz IJONWFGDXIELTP-WOJGMQOQSA-N -1 3 393.830 3.850 20 0 GHADHM Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])c(Cl)n1 ZINC000759711942 930462617 /nfs/dbraw/zinc/46/26/17/930462617.db2.gz UNASWSIZXTUJCR-UHFFFAOYSA-N -1 3 388.592 3.606 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)C(C)(C)C)cs2)c1 ZINC000546931189 930539333 /nfs/dbraw/zinc/53/93/33/930539333.db2.gz KSCCNZJJUGRCKG-ZDUSSCGKSA-N -1 3 389.521 3.845 20 0 GHADHM Cc1ccc(-c2cnc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)s2)c(C)c1 ZINC000470343281 930545686 /nfs/dbraw/zinc/54/56/86/930545686.db2.gz HGOZDBFJZZWWBP-UHFFFAOYSA-N -1 3 376.459 3.676 20 0 GHADHM CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC000780965860 930654358 /nfs/dbraw/zinc/65/43/58/930654358.db2.gz VNAFQPYJSMFGJZ-FOIQADDNSA-N -1 3 396.459 3.568 20 0 GHADHM CCOc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000547267474 930865410 /nfs/dbraw/zinc/86/54/10/930865410.db2.gz AKYFYSFZDSQFGY-YOEHRIQHSA-N -1 3 388.895 3.837 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H]3CC[C@@H](C)C3)c2)c1 ZINC000781608450 930903942 /nfs/dbraw/zinc/90/39/42/930903942.db2.gz QSUQYCRGWPBJBG-UKRRQHHQSA-N -1 3 398.459 3.580 20 0 GHADHM COc1ccc2nc(C)c(C(=O)OCc3noc(-c4ccccc4[O-])n3)cc2c1 ZINC000782233043 931131427 /nfs/dbraw/zinc/13/14/27/931131427.db2.gz UQMNUVXUMMFDQR-UHFFFAOYSA-N -1 3 391.383 3.664 20 0 GHADHM Cc1sc(-c2ccco2)nc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782675102 931298844 /nfs/dbraw/zinc/29/88/44/931298844.db2.gz ZIXDJIVNXNLWCO-UHFFFAOYSA-N -1 3 383.385 3.824 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cc([O-])cc(F)c2)c2nccn2C)c1 ZINC000924622949 931451495 /nfs/dbraw/zinc/45/14/95/931451495.db2.gz LPSLNLKMZWOCBE-RBZFPXEDSA-N -1 3 385.439 3.722 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccnc(Oc2ccccc2)c1 ZINC000783333661 931521743 /nfs/dbraw/zinc/52/17/43/931521743.db2.gz FDAZKVFYQFZFHF-UHFFFAOYSA-N -1 3 389.367 3.987 20 0 GHADHM CC(C)c1nn(C)c2sc(C(=O)OCc3noc(-c4ccccc4[O-])n3)cc12 ZINC000783914319 931714662 /nfs/dbraw/zinc/71/46/62/931714662.db2.gz HNEKHYNQGHVHBU-UHFFFAOYSA-N -1 3 398.444 3.871 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2nnn(-c3ccccc3Cl)c2C)c(F)c1 ZINC000558111192 931843289 /nfs/dbraw/zinc/84/32/89/931843289.db2.gz BVHDCRPXLWVQTK-UHFFFAOYSA-N -1 3 390.777 3.962 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000784732375 931990080 /nfs/dbraw/zinc/99/00/80/931990080.db2.gz GVTXPGSGMUYDIG-RYUDHWBXSA-N -1 3 390.317 3.706 20 0 GHADHM CCOc1cccc2[nH]cc(CC(=O)OCc3noc(-c4ccccc4[O-])n3)c21 ZINC000784862778 932014602 /nfs/dbraw/zinc/01/46/02/932014602.db2.gz HZXANMMCUZOXPJ-UHFFFAOYSA-N -1 3 393.399 3.608 20 0 GHADHM CS[C@H](C)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000797214898 932223806 /nfs/dbraw/zinc/22/38/06/932223806.db2.gz UYGQIGOURMTRMF-QWHCGFSZSA-N -1 3 397.493 3.923 20 0 GHADHM CC(C)(C)SCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797446024 932287936 /nfs/dbraw/zinc/28/79/36/932287936.db2.gz HHFJAFMCGUACFO-UHFFFAOYSA-N -1 3 386.764 3.913 20 0 GHADHM Cc1ccoc1[C@@H](Cc1ccccc1Cl)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000926813493 932316731 /nfs/dbraw/zinc/31/67/31/932316731.db2.gz QJENTIIFHTUBAT-GOSISDBHSA-N -1 3 399.878 3.883 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ccc3c(c2)OC2(CCCCC2)O3)c2ccccc21 ZINC000798109930 932535282 /nfs/dbraw/zinc/53/52/82/932535282.db2.gz SRNLYHLWCMYEQJ-LGMDPLHJSA-N -1 3 376.412 3.841 20 0 GHADHM CC(C)(CCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799022900 932854620 /nfs/dbraw/zinc/85/46/20/932854620.db2.gz SESLKXNAYFCIGX-UHFFFAOYSA-N -1 3 384.442 3.662 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cncc(Br)c2)cc1[O-] ZINC000928353500 932937327 /nfs/dbraw/zinc/93/73/27/932937327.db2.gz FJPNIPMHPVZRAY-INIZCTEOSA-N -1 3 389.249 3.730 20 0 GHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000559961035 932981935 /nfs/dbraw/zinc/98/19/35/932981935.db2.gz NEHKJNZHERXNDC-UHFFFAOYSA-N -1 3 389.702 3.844 20 0 GHADHM Cc1nc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)sc1Cc1ccccc1 ZINC000799429981 933001046 /nfs/dbraw/zinc/00/10/46/933001046.db2.gz JFQJOABHGRPAEQ-UHFFFAOYSA-N -1 3 396.398 3.501 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(CCc4ccoc4)n3)n[n-]2)c1 ZINC000559989401 933001528 /nfs/dbraw/zinc/00/15/28/933001528.db2.gz JXNSXDYKGILXDE-UHFFFAOYSA-N -1 3 386.209 3.662 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c(C)c1C ZINC000560012029 933019314 /nfs/dbraw/zinc/01/93/14/933019314.db2.gz HUTMAWYHLGROHI-UHFFFAOYSA-N -1 3 384.501 3.881 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(OC[C@H]2CCOC2)c1 ZINC000560242436 933150939 /nfs/dbraw/zinc/15/09/39/933150939.db2.gz KVPOGJCTMVACRH-AWEZNQCLSA-N -1 3 375.852 3.699 20 0 GHADHM O=C(NCCCOCc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC001116298584 933465391 /nfs/dbraw/zinc/46/53/91/933465391.db2.gz ZKXKKPWNDOHVCR-UHFFFAOYSA-N -1 3 393.281 3.561 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCOC34CCCCC4)cc2)cc(=O)[n-]1 ZINC000929762582 933620158 /nfs/dbraw/zinc/62/01/58/933620158.db2.gz GEWVULWACIFMHS-SFHVURJKSA-N -1 3 382.464 3.771 20 0 GHADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000561119077 933884284 /nfs/dbraw/zinc/88/42/84/933884284.db2.gz JKXNBVCGPQRUPP-CYBMUJFWSA-N -1 3 380.473 3.576 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000930656794 934163288 /nfs/dbraw/zinc/16/32/88/934163288.db2.gz CRXWAEQRWPUPQN-UHFFFAOYSA-N -1 3 382.439 3.725 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cccnc1C(F)(F)F ZINC000561554190 934266185 /nfs/dbraw/zinc/26/61/85/934266185.db2.gz FETTVZCPTNLBJL-MJHDQNEOSA-N -1 3 392.349 3.603 20 0 GHADHM O=C([O-])[C@H](c1ccccc1Cl)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001119066642 934306789 /nfs/dbraw/zinc/30/67/89/934306789.db2.gz OQIWOEBPMBASHW-INIZCTEOSA-N -1 3 375.856 3.996 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(Cl)c1 ZINC001120681989 934491846 /nfs/dbraw/zinc/49/18/46/934491846.db2.gz SIOUBBWCCMDJMF-UHFFFAOYSA-N -1 3 399.925 3.689 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001120716821 934498862 /nfs/dbraw/zinc/49/88/62/934498862.db2.gz MYOZWPMETUQAMK-ZJUUUORDSA-N -1 3 398.834 3.515 20 0 GHADHM Cc1cc(=O)[nH]c2cc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)ccc12 ZINC000561975455 934599310 /nfs/dbraw/zinc/59/93/10/934599310.db2.gz VFJPFJQFRBIJIE-UHFFFAOYSA-N -1 3 380.354 3.591 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)nnn1C(C)C ZINC000562396915 934850625 /nfs/dbraw/zinc/85/06/25/934850625.db2.gz RFJLINTUHNQYJI-UHFFFAOYSA-N -1 3 392.485 3.703 20 0 GHADHM CC[C@@H](C)CN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001122999004 935050959 /nfs/dbraw/zinc/05/09/59/935050959.db2.gz CQROGTQXUHNDTM-CYBMUJFWSA-N -1 3 386.525 3.731 20 0 GHADHM COc1ccc([C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc2OC)cc1 ZINC001137703390 935733534 /nfs/dbraw/zinc/73/35/34/935733534.db2.gz ITMLJXLAXCXRJH-HSZRJFAPSA-N -1 3 395.430 3.997 20 0 GHADHM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cn1 ZINC000828994540 935752360 /nfs/dbraw/zinc/75/23/60/935752360.db2.gz AIVIBELKRGCPCU-AWEZNQCLSA-N -1 3 378.432 3.792 20 0 GHADHM COc1ccccc1[C@@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001137781878 935786565 /nfs/dbraw/zinc/78/65/65/935786565.db2.gz VKJQRFAEQUDMFR-OAQYLSRUSA-N -1 3 391.467 3.649 20 0 GHADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cnn(CC(C)C)c1C)=C2 ZINC000829902915 935880042 /nfs/dbraw/zinc/88/00/42/935880042.db2.gz UYNDIGMDRTUJED-UHFFFAOYSA-N -1 3 375.494 3.585 20 0 GHADHM CN1CC[C@H](CNC(=O)c2cccc([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001137945342 935885171 /nfs/dbraw/zinc/88/51/71/935885171.db2.gz PJXLLINSADUNND-KZULUSFZSA-N -1 3 380.822 3.747 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccc(C(F)(F)F)nc1Cl ZINC000830425678 935943735 /nfs/dbraw/zinc/94/37/35/935943735.db2.gz XPCFUHZNNSWVPC-ZETCQYMHSA-N -1 3 378.763 3.709 20 0 GHADHM CC[C@](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908885530 939345939 /nfs/dbraw/zinc/34/59/39/939345939.db2.gz ZYBKXGXOJYNORV-HCLVMJGWSA-N -1 3 395.503 3.511 20 0 GHADHM Brc1cc(Oc2cccnc2Br)ccc1-c1nnn[n-]1 ZINC001573279796 946650597 /nfs/dbraw/zinc/65/05/97/946650597.db2.gz NIZNAPWWPUXWAP-UHFFFAOYSA-N -1 3 397.030 3.579 20 0 GHADHM Brc1cc(Oc2cccnc2Br)ccc1-c1nn[n-]n1 ZINC001573279796 946650599 /nfs/dbraw/zinc/65/05/99/946650599.db2.gz NIZNAPWWPUXWAP-UHFFFAOYSA-N -1 3 397.030 3.579 20 0 GHADHM Brc1cnc(NCc2csc3ccccc23)c(-c2nnn[n-]2)c1 ZINC001573280932 946670791 /nfs/dbraw/zinc/67/07/91/946670791.db2.gz UQBGRMHHXGDINY-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1cnc(NCc2csc3ccccc23)c(-c2nn[n-]n2)c1 ZINC001573280932 946670796 /nfs/dbraw/zinc/67/07/96/946670796.db2.gz UQBGRMHHXGDINY-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC001573552750 946880907 /nfs/dbraw/zinc/88/09/07/946880907.db2.gz BDMNDCYDZMFHFG-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC001573552750 946880921 /nfs/dbraw/zinc/88/09/21/946880921.db2.gz BDMNDCYDZMFHFG-UHFFFAOYSA-N -1 3 391.362 3.721 20 0 GHADHM C=C/C=C/CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001573315912 947260636 /nfs/dbraw/zinc/26/06/36/947260636.db2.gz QITZSMGRISFJOX-ONEGZZNKSA-N -1 3 387.447 3.588 20 0 GHADHM C=C/C=C/CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001573315912 947260646 /nfs/dbraw/zinc/26/06/46/947260646.db2.gz QITZSMGRISFJOX-ONEGZZNKSA-N -1 3 387.447 3.588 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001454408016 948524112 /nfs/dbraw/zinc/52/41/12/948524112.db2.gz OAQKIZHZEKSHKB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001454408016 948524120 /nfs/dbraw/zinc/52/41/20/948524120.db2.gz OAQKIZHZEKSHKB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM C[C@H](C(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573755667 948779725 /nfs/dbraw/zinc/77/97/25/948779725.db2.gz RWKOTHCYSFKQLM-QWRGUYRKSA-N -1 3 395.301 3.991 20 0 GHADHM C[C@H](C(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573755667 948779742 /nfs/dbraw/zinc/77/97/42/948779742.db2.gz RWKOTHCYSFKQLM-QWRGUYRKSA-N -1 3 395.301 3.991 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001574083417 948880266 /nfs/dbraw/zinc/88/02/66/948880266.db2.gz SFMROBBYHLIVOO-LIRRHRJNSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001574083417 948880284 /nfs/dbraw/zinc/88/02/84/948880284.db2.gz SFMROBBYHLIVOO-LIRRHRJNSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)c1nc2cc(NC(=O)c3[nH]c4ccccc4c3-c3nnn[n-]3)ccc2o1 ZINC001574427967 948918121 /nfs/dbraw/zinc/91/81/21/948918121.db2.gz WAFXZKWVPLTXDF-UHFFFAOYSA-N -1 3 387.403 3.865 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)CC1 ZINC001574090507 948988848 /nfs/dbraw/zinc/98/88/48/948988848.db2.gz KUBSRWJPASUDPP-PBHICJAKSA-N -1 3 394.479 3.856 20 0 GHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)CC1 ZINC001574090507 948988856 /nfs/dbraw/zinc/98/88/56/948988856.db2.gz KUBSRWJPASUDPP-PBHICJAKSA-N -1 3 394.479 3.856 20 0 GHADHM C[C@@H](c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1)C(F)(F)F ZINC001575503851 949055776 /nfs/dbraw/zinc/05/57/76/949055776.db2.gz MMIVWRKNZNQLKO-VIFPVBQESA-N -1 3 381.383 3.524 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001574695019 949100579 /nfs/dbraw/zinc/10/05/79/949100579.db2.gz YITWEHOHNRWBMR-MRXNPFEDSA-N -1 3 391.475 3.857 20 0 GHADHM C[C@H](CCOc1ccccc1)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001574695019 949100595 /nfs/dbraw/zinc/10/05/95/949100595.db2.gz YITWEHOHNRWBMR-MRXNPFEDSA-N -1 3 391.475 3.857 20 0 GHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC001575513828 949156406 /nfs/dbraw/zinc/15/64/06/949156406.db2.gz SYOIENYYCCGBAN-NSHDSACASA-N -1 3 391.353 3.599 20 0 GHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC001575513828 949156417 /nfs/dbraw/zinc/15/64/17/949156417.db2.gz SYOIENYYCCGBAN-NSHDSACASA-N -1 3 391.353 3.599 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC12CCCCC2 ZINC001574100652 949193695 /nfs/dbraw/zinc/19/36/95/949193695.db2.gz WCGQNUURZDKDOC-INIZCTEOSA-N -1 3 375.423 3.576 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC12CCCCC2 ZINC001574100652 949193706 /nfs/dbraw/zinc/19/37/06/949193706.db2.gz WCGQNUURZDKDOC-INIZCTEOSA-N -1 3 375.423 3.576 20 0 GHADHM CC(C)(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N)c1cccc2ccccc21 ZINC001573788596 949199871 /nfs/dbraw/zinc/19/98/71/949199871.db2.gz OLXVCISDJIKJKC-UHFFFAOYSA-N -1 3 390.422 3.658 20 0 GHADHM CC(C)(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N)c1cccc2ccccc21 ZINC001573788596 949199883 /nfs/dbraw/zinc/19/98/83/949199883.db2.gz OLXVCISDJIKJKC-UHFFFAOYSA-N -1 3 390.422 3.658 20 0 GHADHM CC1(O)CCC(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CC1 ZINC001575856410 949249979 /nfs/dbraw/zinc/24/99/79/949249979.db2.gz FWTLMJGJVUAHDM-UHFFFAOYSA-N -1 3 397.454 3.690 20 0 GHADHM CC1(O)CCC(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CC1 ZINC001575856410 949250002 /nfs/dbraw/zinc/25/00/02/949250002.db2.gz FWTLMJGJVUAHDM-UHFFFAOYSA-N -1 3 397.454 3.690 20 0 GHADHM C[C@@H](CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)Cc1cccs1 ZINC001574965946 949828814 /nfs/dbraw/zinc/82/88/14/949828814.db2.gz PGRPCWLSVSXKCL-SECBINFHSA-N -1 3 396.303 3.844 20 0 GHADHM C[C@@H](CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)Cc1cccs1 ZINC001574965946 949828840 /nfs/dbraw/zinc/82/88/40/949828840.db2.gz PGRPCWLSVSXKCL-SECBINFHSA-N -1 3 396.303 3.844 20 0 GHADHM C[C@H](CN(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC001574733166 950102395 /nfs/dbraw/zinc/10/23/95/950102395.db2.gz UPXQALCKZHEJPA-CYBMUJFWSA-N -1 3 390.919 3.878 20 0 GHADHM C[C@H](CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC001574733166 950102406 /nfs/dbraw/zinc/10/24/06/950102406.db2.gz UPXQALCKZHEJPA-CYBMUJFWSA-N -1 3 390.919 3.878 20 0 GHADHM CC(C)(C)CC(C)(C)C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573843004 950162481 /nfs/dbraw/zinc/16/24/81/950162481.db2.gz OSCIZSCAWLYFSK-UHFFFAOYSA-N -1 3 381.484 3.512 20 0 GHADHM CC(C)(C)CC(C)(C)C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573843004 950162491 /nfs/dbraw/zinc/16/24/91/950162491.db2.gz OSCIZSCAWLYFSK-UHFFFAOYSA-N -1 3 381.484 3.512 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001573863312 950473608 /nfs/dbraw/zinc/47/36/08/950473608.db2.gz BHQUXVJNTWSUOC-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001573863312 950473626 /nfs/dbraw/zinc/47/36/26/950473626.db2.gz BHQUXVJNTWSUOC-UHFFFAOYSA-N -1 3 399.838 3.728 20 0 GHADHM CC(C)(C)c1csc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC001573884043 950782165 /nfs/dbraw/zinc/78/21/65/950782165.db2.gz DSMWSSXQTHVPKS-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM CC(C)(C)c1csc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC001573884043 950782182 /nfs/dbraw/zinc/78/21/82/950782182.db2.gz DSMWSSXQTHVPKS-FNORWQNLSA-N -1 3 388.884 3.926 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@H]3CCCc4sccc43)c(-c3nnn[n-]3)cc2C1 ZINC001576218295 950783025 /nfs/dbraw/zinc/78/30/25/950783025.db2.gz QDOGMKCYPSGIAJ-FZMZJTMJSA-N -1 3 394.504 3.507 20 0 GHADHM C[C@H]1CCc2nc(NC(=O)[C@H]3CCCc4sccc43)c(-c3nn[n-]n3)cc2C1 ZINC001576218295 950783040 /nfs/dbraw/zinc/78/30/40/950783040.db2.gz QDOGMKCYPSGIAJ-FZMZJTMJSA-N -1 3 394.504 3.507 20 0 GHADHM CC(C)(C)c1cccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573884448 950794553 /nfs/dbraw/zinc/79/45/53/950794553.db2.gz MVTUGTZPYOKWLL-IBGZPJMESA-N -1 3 391.475 3.739 20 0 GHADHM CC(C)(C)c1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC001573885435 950823462 /nfs/dbraw/zinc/82/34/62/950823462.db2.gz WTZLKLONNYVTPU-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM CC(C)(C)c1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC001573885435 950823484 /nfs/dbraw/zinc/82/34/84/950823484.db2.gz WTZLKLONNYVTPU-UHFFFAOYSA-N -1 3 392.868 3.585 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001575187316 952439782 /nfs/dbraw/zinc/43/97/82/952439782.db2.gz BGUREAZGVJXAKQ-HNNXBMFYSA-N -1 3 399.458 3.823 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001575187316 952439785 /nfs/dbraw/zinc/43/97/85/952439785.db2.gz BGUREAZGVJXAKQ-HNNXBMFYSA-N -1 3 399.458 3.823 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001575188933 952451105 /nfs/dbraw/zinc/45/11/05/952451105.db2.gz LHDHJBGKTAIGMG-CYBMUJFWSA-N -1 3 390.472 3.808 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001575188933 952451109 /nfs/dbraw/zinc/45/11/09/952451109.db2.gz LHDHJBGKTAIGMG-CYBMUJFWSA-N -1 3 390.472 3.808 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 ZINC001575189005 952453494 /nfs/dbraw/zinc/45/34/94/952453494.db2.gz MBIRCPMTWSSYEQ-KZULUSFZSA-N -1 3 382.851 3.929 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 ZINC001575189005 952453498 /nfs/dbraw/zinc/45/34/98/952453498.db2.gz MBIRCPMTWSSYEQ-KZULUSFZSA-N -1 3 382.851 3.929 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC001589280573 953505523 /nfs/dbraw/zinc/50/55/23/953505523.db2.gz GJQMFIYLSGARCG-KOLCDFICSA-N -1 3 378.213 3.593 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000391397733 972333061 /nfs/dbraw/zinc/33/30/61/972333061.db2.gz NRJRVPQSSNWRQB-TUAOUCFPSA-N -1 3 383.286 3.656 20 0 GHADHM Cc1cc(NC(=O)CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1Br ZINC000391998719 972398111 /nfs/dbraw/zinc/39/81/11/972398111.db2.gz MWMRAKCIHNPOOE-ZDUSSCGKSA-N -1 3 397.313 3.519 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC1(O)CCC(C(=O)[O-])CC1 ZINC001594485894 959660508 /nfs/dbraw/zinc/66/05/08/959660508.db2.gz CJNSYPYNAIUIKJ-NGEICVOHSA-N -1 3 397.947 3.644 20 0 GHADHM CC(C)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001588913021 962331046 /nfs/dbraw/zinc/33/10/46/962331046.db2.gz YJIVZPBSSQBLNH-SGQUHAKNSA-N -1 3 382.460 3.503 20 0 GHADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)n1 ZINC001347091054 962379885 /nfs/dbraw/zinc/37/98/85/962379885.db2.gz OAMDNTCFRLPFDJ-HNJNHCNJSA-N -1 3 389.883 3.927 20 0 GHADHM C[C@H]1[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000312648656 963580643 /nfs/dbraw/zinc/58/06/43/963580643.db2.gz KLWRJUNQBUBGRG-UGSOOPFHSA-N -1 3 387.867 3.823 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCCO[C@H](c4ccccc4)C3)o2)C1 ZINC001605999270 973084730 /nfs/dbraw/zinc/08/47/30/973084730.db2.gz RWSOVPKUUMDOKP-ICSRJNTNSA-N -1 3 384.476 3.544 20 0 GHADHM CCOC(=O)[C@H](CNC(=O)c1cc2sccc2c([O-])c1)Cc1ccccc1 ZINC001625797774 1014178196 /nfs/dbraw/zinc/17/81/96/1014178196.db2.gz LRPYUADADQWHDO-INIZCTEOSA-N -1 3 383.469 3.759 20 0 GHADHM O=C([O-])CC1(CN2CCC[C@H]2c2ccccc2I)CC1 ZINC000576522337 974816429 /nfs/dbraw/zinc/81/64/29/974816429.db2.gz DWAHAEUGVVEYIN-AWEZNQCLSA-N -1 3 385.245 3.683 20 0 GHADHM CCSc1ccccc1CCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001154411154 1032088886 /nfs/dbraw/zinc/08/88/86/1032088886.db2.gz RBLSKNJHWWXNIB-UHFFFAOYSA-N -1 3 388.439 3.891 20 0 GHADHM Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001154416053 1032089783 /nfs/dbraw/zinc/08/97/83/1032089783.db2.gz AALFADIZLXPFGS-UHFFFAOYSA-N -1 3 389.377 3.665 20 0 GHADHM CC(C)Oc1cc(Cl)c(CN[C@]2(CC(=O)[O-])CCCOC2)cc1Cl ZINC001591755138 975816388 /nfs/dbraw/zinc/81/63/88/975816388.db2.gz AZUXPVYUQPEROF-KRWDZBQOSA-N -1 3 376.280 3.894 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625911510 1014369857 /nfs/dbraw/zinc/36/98/57/1014369857.db2.gz OKCOCMUVCBZIDV-UHFFFAOYSA-N -1 3 384.443 3.811 20 0 GHADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625911510 1014369868 /nfs/dbraw/zinc/36/98/68/1014369868.db2.gz OKCOCMUVCBZIDV-UHFFFAOYSA-N -1 3 384.443 3.811 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000756331620 978697620 /nfs/dbraw/zinc/69/76/20/978697620.db2.gz BATVZOLEKARKCN-MOPGFXCFSA-N -1 3 375.852 3.813 20 0 GHADHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000756331919 978697804 /nfs/dbraw/zinc/69/78/04/978697804.db2.gz CQRYCBABBVCHAG-KRWDZBQOSA-N -1 3 379.840 3.671 20 0 GHADHM COc1ccc2cc(CN[C@H](C(=O)[O-])c3cc(OC)cc(OC)c3)ccc2c1 ZINC000832057349 979039545 /nfs/dbraw/zinc/03/95/45/979039545.db2.gz ONRFWWWQRKYSGO-NRFANRHFSA-N -1 3 381.428 3.781 20 0 GHADHM O=C([O-])c1ccccc1OCCN[C@H]1CCOc2c(Br)cccc21 ZINC000836699530 979248013 /nfs/dbraw/zinc/24/80/13/979248013.db2.gz YPZUFDNKRSNWJG-HNNXBMFYSA-N -1 3 392.249 3.640 20 0 GHADHM CCC1CCC(N(CCO)Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001595420295 981034334 /nfs/dbraw/zinc/03/43/34/981034334.db2.gz BPHRVUYABBXEIB-UHFFFAOYSA-N -1 3 384.314 3.910 20 0 GHADHM CCN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596151358 983512174 /nfs/dbraw/zinc/51/21/74/983512174.db2.gz VNAUGCUXMJSBND-LJQANCHMSA-N -1 3 381.476 3.822 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1)c1ccccc1 ZINC001196446139 1014983066 /nfs/dbraw/zinc/98/30/66/1014983066.db2.gz AJSGIQRKEFNKIU-SFHVURJKSA-N -1 3 389.860 3.686 20 0 GHADHM CCN1CC[C@H](NCc2ccc(C(=O)[O-])cc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596409555 983994384 /nfs/dbraw/zinc/99/43/84/983994384.db2.gz DJZIAYJANMXUIK-HKUYNNGSSA-N -1 3 396.384 3.866 20 0 GHADHM CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001596553296 984421829 /nfs/dbraw/zinc/42/18/29/984421829.db2.gz VFFVZTCQTMXRLL-SFHVURJKSA-N -1 3 398.297 3.559 20 0 GHADHM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)[C@@H]1C ZINC001596568829 984456877 /nfs/dbraw/zinc/45/68/77/984456877.db2.gz ONMSFFNEJDJTMH-KYZVSKTDSA-N -1 3 397.899 3.715 20 0 GHADHM CCOC(=O)c1cc(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)[nH]c1C ZINC001596707142 984914049 /nfs/dbraw/zinc/91/40/49/984914049.db2.gz QIZXJJYXCUQJIJ-IBGZPJMESA-N -1 3 378.856 3.633 20 0 GHADHM C[C@H]1CN(c2cccc3cnccc32)CCN1CCOc1ccccc1C(=O)[O-] ZINC001594576321 986418108 /nfs/dbraw/zinc/41/81/08/986418108.db2.gz WYODDHRNMVLNPA-KRWDZBQOSA-N -1 3 391.471 3.523 20 0 GHADHM CCc1[nH]c(CN2CCN(Cc3cccc4ccccc43)CC2)cc1C(=O)[O-] ZINC001597386711 987607993 /nfs/dbraw/zinc/60/79/93/987607993.db2.gz NGWPQNUTXSNFHM-UHFFFAOYSA-N -1 3 377.488 3.746 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001597457681 987876615 /nfs/dbraw/zinc/87/66/15/987876615.db2.gz NSJDLAIKRXQHPX-KRWDZBQOSA-N -1 3 387.505 3.967 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C(=O)[O-])cc2F)C12CCCC2 ZINC001589984735 988874177 /nfs/dbraw/zinc/87/41/77/988874177.db2.gz HPZPDJWNRNYQHS-QGZVFWFLSA-N -1 3 392.471 3.936 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590004351 988941398 /nfs/dbraw/zinc/94/13/98/988941398.db2.gz PBTOISOREUXZBP-DYESRHJHSA-N -1 3 392.471 3.674 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(Cc1cc(C(=O)[O-])co1)C2 ZINC001590005851 988955875 /nfs/dbraw/zinc/95/58/75/988955875.db2.gz YGYGNXATPIVZDN-FQEVSTJZSA-N -1 3 378.469 3.591 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001590184689 989533238 /nfs/dbraw/zinc/53/32/38/989533238.db2.gz JZKYBUDLWPZBRN-CQSZACIVSA-N -1 3 380.460 3.651 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001590185022 989537456 /nfs/dbraw/zinc/53/74/56/989537456.db2.gz OBEBAXHVXVCXGM-CQSZACIVSA-N -1 3 391.512 3.717 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001590224180 989596125 /nfs/dbraw/zinc/59/61/25/989596125.db2.gz RSCDPWYJPPAKMZ-UHFFFAOYSA-N -1 3 396.487 3.968 20 0 GHADHM CC(C)(C)Oc1cccc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n1 ZINC001590416211 989955050 /nfs/dbraw/zinc/95/50/50/989955050.db2.gz HXHPEOLVDAVKKQ-DLBZAZTESA-N -1 3 390.430 3.837 20 0 GHADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001598229774 990930554 /nfs/dbraw/zinc/93/05/54/990930554.db2.gz VFLPTYGGWIKGDX-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM COc1cc(C(=O)NCc2cccc(COCc3ccco3)c2)cc(OC)c1[O-] ZINC000545169130 1015609212 /nfs/dbraw/zinc/60/92/12/1015609212.db2.gz XNBUYCCMCQVGAA-UHFFFAOYSA-N -1 3 397.427 3.649 20 0 GHADHM CC(C)[C@H](CNC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001590982497 991152062 /nfs/dbraw/zinc/15/20/62/991152062.db2.gz PAEMWTCLOAOGES-RBDMOPTHSA-N -1 3 382.504 3.594 20 0 GHADHM CN(Cc1cc(C(=O)[O-])c2n1CCCC2)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001598506542 992510098 /nfs/dbraw/zinc/51/00/98/992510098.db2.gz CFTIKYTUJKAOCZ-UHFFFAOYSA-N -1 3 393.528 3.505 20 0 GHADHM CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC1(C(=O)[O-])CC1 ZINC001591561045 992761993 /nfs/dbraw/zinc/76/19/93/992761993.db2.gz GSOZQBXASOKIQP-UHFFFAOYSA-N -1 3 392.805 3.873 20 0 GHADHM C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])cs1 ZINC001593230526 994363439 /nfs/dbraw/zinc/36/34/39/994363439.db2.gz DWQMGESNRKNRBL-XPTSAGLGSA-N -1 3 382.844 3.695 20 0 GHADHM C[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])cs1 ZINC001593230527 994364319 /nfs/dbraw/zinc/36/43/19/994364319.db2.gz DWQMGESNRKNRBL-YMTOWFKASA-N -1 3 382.844 3.695 20 0 GHADHM C[C@@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)[O-] ZINC001593245673 994438380 /nfs/dbraw/zinc/43/83/80/994438380.db2.gz AHVVDLZQOIHSCQ-BZNIZROVSA-N -1 3 384.259 3.841 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(Br)cc2)c1 ZINC001599656809 994593770 /nfs/dbraw/zinc/59/37/70/994593770.db2.gz WTOULGDPLIGZLB-GOSISDBHSA-N -1 3 378.266 3.937 20 0 GHADHM C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCCOC2=O)cc1 ZINC001593288916 994660620 /nfs/dbraw/zinc/66/06/20/994660620.db2.gz OATKSZNLBDYXHP-OAHLLOKOSA-N -1 3 397.475 3.720 20 0 GHADHM C[C@H](O)CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001593459043 995371479 /nfs/dbraw/zinc/37/14/79/995371479.db2.gz NBVRFTOZXFBDJP-ZDUSSCGKSA-N -1 3 378.266 3.530 20 0 GHADHM C[C@H](Oc1ccccc1CNC[C@@H](O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001593646883 995989742 /nfs/dbraw/zinc/98/97/42/995989742.db2.gz XHIIYBPLCPJYSN-MEDUHNTESA-N -1 3 384.259 3.669 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001593709954 996206719 /nfs/dbraw/zinc/20/67/19/996206719.db2.gz GMJXNLDIXYOBQE-PSOYPTMXSA-N -1 3 393.487 3.832 20 0 GHADHM C[C@@]1(C(=O)[O-])CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001593775754 996472692 /nfs/dbraw/zinc/47/26/92/996472692.db2.gz AGHWFEKFADGXJD-QFBILLFUSA-N -1 3 399.318 3.844 20 0 GHADHM CC1(C)Cc2c(cccc2Br)[C@H]1NCc1cncc(C(=O)[O-])c1 ZINC001593965101 997102884 /nfs/dbraw/zinc/10/28/84/997102884.db2.gz WGZRQWCAOVUOOI-MRXNPFEDSA-N -1 3 375.266 3.956 20 0 GHADHM COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001599527908 997594873 /nfs/dbraw/zinc/59/48/73/997594873.db2.gz LVGRFCLLWYCLHX-UXHICEINSA-N -1 3 390.524 3.522 20 0 GHADHM CC(C)(C)OC(=O)NC1(C)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001594058161 997818854 /nfs/dbraw/zinc/81/88/54/997818854.db2.gz ZGJWNLQRGFZYEX-OAHLLOKOSA-N -1 3 382.888 3.845 20 0 GHADHM COc1cc(-c2nc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)cs2)ccc1O ZINC001599346743 998019828 /nfs/dbraw/zinc/01/98/28/998019828.db2.gz MSWCLPJMGBEVKA-AWEZNQCLSA-N -1 3 390.505 3.847 20 0 GHADHM COC(=O)c1cc2cc(CN[C@@](C)(CC(=O)[O-])c3cccc(OC)c3)ccc2o1 ZINC001598958206 998282786 /nfs/dbraw/zinc/28/27/86/998282786.db2.gz VVOZSDQRMKUOLR-QFIPXVFZSA-N -1 3 397.427 3.708 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001599158283 998412228 /nfs/dbraw/zinc/41/22/28/998412228.db2.gz DGAAUHYEZIRIPU-YJYMSZOUSA-N -1 3 393.867 3.678 20 0 GHADHM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCCC(F)(F)F)c1 ZINC001599475395 998523049 /nfs/dbraw/zinc/52/30/49/998523049.db2.gz XTOSACAZEQZDNA-GFCCVEGCSA-N -1 3 384.192 3.858 20 0 GHADHM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCC(c3cccc(F)c3F)CC2)c1 ZINC001598995928 998779050 /nfs/dbraw/zinc/77/90/50/998779050.db2.gz KFQRDBWFGKUVNM-IBGZPJMESA-N -1 3 389.398 3.757 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594292882 999129949 /nfs/dbraw/zinc/12/99/49/999129949.db2.gz OCJXCAGNYAQFII-VNHYZAJKSA-N -1 3 376.522 3.917 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000468985236 1016306262 /nfs/dbraw/zinc/30/62/62/1016306262.db2.gz PEIPAZXUKAFVTL-UHFFFAOYSA-N -1 3 390.499 3.542 20 0 GHADHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000468983738 1016306799 /nfs/dbraw/zinc/30/67/99/1016306799.db2.gz OJEKKFOMEDPHBR-JTQLQIEISA-N -1 3 399.740 3.605 20 0 GHADHM CC1CCN([C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2cccs2)CC1 ZINC001594422138 999573201 /nfs/dbraw/zinc/57/32/01/999573201.db2.gz OAWRBCLGLYXDID-ULQDDVLXSA-N -1 3 378.538 3.528 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000470607390 1016833519 /nfs/dbraw/zinc/83/35/19/1016833519.db2.gz QNTWWKDSUBVJBN-UHFFFAOYSA-N -1 3 389.864 3.723 20 0 GHADHM Cc1ccc2ncc([O-])c(C(=O)N3C[C@H]4[C@@H](C3)CCC[C@@H]4OCC3CC3)c2c1 ZINC001154530205 1032167578 /nfs/dbraw/zinc/16/75/78/1032167578.db2.gz ZYQFNOOISYYFCD-MMOPVJDHSA-N -1 3 380.488 3.916 20 0 GHADHM COc1ccc2cc([O-])c(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2c1 ZINC001154745363 1032268704 /nfs/dbraw/zinc/26/87/04/1032268704.db2.gz YSTTWSQCLASVLX-NRFANRHFSA-N -1 3 376.456 3.683 20 0 GHADHM CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)[C@@H]1C ZINC001154794866 1032286163 /nfs/dbraw/zinc/28/61/63/1032286163.db2.gz YHHQJGZZHUGIBU-CABCVRRESA-N -1 3 390.480 3.887 20 0 GHADHM COCCCN1CCC(Oc2cc(OC)ccc2C(=O)c2ccccc2[O-])CC1 ZINC001227411258 1032409640 /nfs/dbraw/zinc/40/96/40/1032409640.db2.gz QTRDRNACVVKRIM-UHFFFAOYSA-N -1 3 399.487 3.512 20 0 GHADHM CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001155100358 1032416225 /nfs/dbraw/zinc/41/62/25/1032416225.db2.gz BZHAHURSNUGTNG-UHFFFAOYSA-N -1 3 388.489 3.904 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3cc(=O)ccc-3c2)c([O-])c1 ZINC001155164366 1032441121 /nfs/dbraw/zinc/44/11/21/1032441121.db2.gz ZMPJIIVWAOBKLY-UHFFFAOYSA-N -1 3 380.400 3.854 20 0 GHADHM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178136 1032446120 /nfs/dbraw/zinc/44/61/20/1032446120.db2.gz CDXSLYVQHCPIKB-LLVKDONJSA-N -1 3 390.802 3.561 20 0 GHADHM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178136 1032446127 /nfs/dbraw/zinc/44/61/27/1032446127.db2.gz CDXSLYVQHCPIKB-LLVKDONJSA-N -1 3 390.802 3.561 20 0 GHADHM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155178136 1032446133 /nfs/dbraw/zinc/44/61/33/1032446133.db2.gz CDXSLYVQHCPIKB-LLVKDONJSA-N -1 3 390.802 3.561 20 0 GHADHM CC(C)OC(=O)N1CCC(Oc2c([O-])cc(Br)cc2F)CC1 ZINC001227588321 1032474796 /nfs/dbraw/zinc/47/47/96/1032474796.db2.gz QQQIRPVOTIARJY-UHFFFAOYSA-N -1 3 376.222 3.682 20 0 GHADHM CCOC(=O)[C@@H](C)[C@H](Oc1c([O-])cc(Br)cc1F)C(F)(F)F ZINC001227586606 1032474956 /nfs/dbraw/zinc/47/49/56/1032474956.db2.gz BRRDVRKDDIQASW-KGFZYKRKSA-N -1 3 389.139 3.803 20 0 GHADHM CN1CCC[C@@H](Oc2cc([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c23)CC1 ZINC001227817093 1032626320 /nfs/dbraw/zinc/62/63/20/1032626320.db2.gz UGNIPZROFTWIFU-QGZVFWFLSA-N -1 3 381.428 3.734 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1c(F)cccc1Cl ZINC000561472694 1017863947 /nfs/dbraw/zinc/86/39/47/1017863947.db2.gz YAKSQUVKSKLUFU-MRVPVSSYSA-N -1 3 382.766 3.932 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1c(F)cccc1Cl ZINC000561472695 1017864414 /nfs/dbraw/zinc/86/44/14/1017864414.db2.gz YAKSQUVKSKLUFU-QMMMGPOBSA-N -1 3 382.766 3.932 20 0 GHADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1c(F)cc(Br)cc1F ZINC001228006138 1032734844 /nfs/dbraw/zinc/73/48/44/1032734844.db2.gz ZJBMMFPXYLVLNZ-ZETCQYMHSA-N -1 3 382.164 3.911 20 0 GHADHM O=S(=O)(CC12CCC(CC1)CC2)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000562403794 1018146753 /nfs/dbraw/zinc/14/67/53/1018146753.db2.gz HLDOZRGPCVKHHP-UHFFFAOYSA-N -1 3 377.535 3.595 20 0 GHADHM Cc1csc(C[C@H]2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C2)n1 ZINC000933133161 1018856458 /nfs/dbraw/zinc/85/64/58/1018856458.db2.gz HRYKSKHWSMVTBE-CYBMUJFWSA-N -1 3 380.473 3.911 20 0 GHADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](CC(=O)OC(C)C)C(=O)OC(C)C ZINC001228134379 1032802632 /nfs/dbraw/zinc/80/26/32/1032802632.db2.gz OULXBZYPUVZATK-GOSISDBHSA-N -1 3 394.464 3.588 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2cc(F)c(N3CCCCC3)c(F)c2)c2ccccc21 ZINC000778517946 1019215326 /nfs/dbraw/zinc/21/53/26/1019215326.db2.gz NEGNKNDFYGFNDO-VBKFSLOCSA-N -1 3 383.398 3.678 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CC[C@H](SCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000575734039 1019941225 /nfs/dbraw/zinc/94/12/25/1019941225.db2.gz DLUYCAIVISDGRI-SJCJKPOMSA-N -1 3 387.480 3.794 20 0 GHADHM COc1ccc(O[C@H](C)CNC(F)(F)c2cc(Cl)nc(=S)[n-]2)cc1 ZINC001156080390 1032867626 /nfs/dbraw/zinc/86/76/26/1032867626.db2.gz JKURGYBXYXLSRR-SECBINFHSA-N -1 3 375.828 3.534 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N(C)Cc1ccccc1 ZINC000600770669 1020244892 /nfs/dbraw/zinc/24/48/92/1020244892.db2.gz LTYATVFXCRVCMH-LLVKDONJSA-N -1 3 393.361 3.854 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cc(Cl)ccc1Cl ZINC000188319800 1020437374 /nfs/dbraw/zinc/43/73/74/1020437374.db2.gz JXJLQWDPUQYNDS-ZETCQYMHSA-N -1 3 382.700 3.728 20 0 GHADHM CN(CCCOCc1ccccc1)C(=O)c1cc([O-])cc(Br)c1 ZINC000626879642 1020503682 /nfs/dbraw/zinc/50/36/82/1020503682.db2.gz REMUGYGBIMULEV-UHFFFAOYSA-N -1 3 378.266 3.834 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1cc(C(F)(F)F)ccc1F ZINC001204477676 1032913366 /nfs/dbraw/zinc/91/33/66/1032913366.db2.gz MRAUSXXCWFYIPJ-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cc(C(F)(F)F)ccc1F ZINC001204477676 1032913368 /nfs/dbraw/zinc/91/33/68/1032913368.db2.gz MRAUSXXCWFYIPJ-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204490587 1032924170 /nfs/dbraw/zinc/92/41/70/1032924170.db2.gz XJMPPYUMEDVSLK-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204490587 1032924172 /nfs/dbraw/zinc/92/41/72/1032924172.db2.gz XJMPPYUMEDVSLK-AWEZNQCLSA-N -1 3 390.377 3.860 20 0 GHADHM CC[C@H](CNC(=O)c1c(C)ccc(C)c1C(=O)[O-])N1CCc2ccccc2C1 ZINC000634859866 1020960652 /nfs/dbraw/zinc/96/06/52/1020960652.db2.gz BMPGJICFKJKAKL-LJQANCHMSA-N -1 3 380.488 3.568 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001156284738 1032958681 /nfs/dbraw/zinc/95/86/81/1032958681.db2.gz MWZWCFQPPFIBCL-AWEZNQCLSA-N -1 3 379.851 3.874 20 0 GHADHM Cc1sc2nc(-c3cccs3)nc(NCCCc3c[n-][nH]c3=O)c2c1C ZINC001156285452 1032958706 /nfs/dbraw/zinc/95/87/06/1032958706.db2.gz VRAWFWIDZYVTQE-GFCCVEGCSA-N -1 3 385.518 3.961 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(Cc2noc(Cc3ccc([O-])c(F)c3)n2)CC1 ZINC000834547357 1021262726 /nfs/dbraw/zinc/26/27/26/1021262726.db2.gz AUGNZRVUBGDGTD-UHFFFAOYSA-N -1 3 391.443 3.695 20 0 GHADHM O=C([O-])c1ccccc1CCN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903630322 1021623091 /nfs/dbraw/zinc/62/30/91/1021623091.db2.gz BPDOZVVGRRIWDK-UHFFFAOYSA-N -1 3 394.393 3.885 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001228621462 1033012575 /nfs/dbraw/zinc/01/25/75/1033012575.db2.gz AEKYUOSJDYKDLC-KBPBESRZSA-N -1 3 389.448 3.974 20 0 GHADHM CCCNC(=O)c1ccccc1OC1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC001140504393 1021887194 /nfs/dbraw/zinc/88/71/94/1021887194.db2.gz QRCGVZBOJORROD-UHFFFAOYSA-N -1 3 396.487 3.568 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140549682 1021950819 /nfs/dbraw/zinc/95/08/19/1021950819.db2.gz MAZXSDOGKFOCJQ-CQSZACIVSA-N -1 3 399.329 3.986 20 0 GHADHM COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140551239 1021952579 /nfs/dbraw/zinc/95/25/79/1021952579.db2.gz QZFMNGDVDHTJAV-RDTXWAMCSA-N -1 3 384.314 3.562 20 0 GHADHM O=C(N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001140567966 1021984458 /nfs/dbraw/zinc/98/44/58/1021984458.db2.gz WGRDNQUNSUYONA-DLBZAZTESA-N -1 3 396.882 3.761 20 0 GHADHM O=C(N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001140567966 1021984461 /nfs/dbraw/zinc/98/44/61/1021984461.db2.gz WGRDNQUNSUYONA-DLBZAZTESA-N -1 3 396.882 3.761 20 0 GHADHM O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140994365 1023118046 /nfs/dbraw/zinc/11/80/46/1023118046.db2.gz XGNBZIOQHRWEOI-UHFFFAOYSA-N -1 3 398.453 3.961 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(-c2cncc(F)c2)ccc1C ZINC000836604110 1023162466 /nfs/dbraw/zinc/16/24/66/1023162466.db2.gz RQGKUDBVKDTMJL-UHFFFAOYSA-N -1 3 375.400 3.591 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000836604110 1023162470 /nfs/dbraw/zinc/16/24/70/1023162470.db2.gz RQGKUDBVKDTMJL-UHFFFAOYSA-N -1 3 375.400 3.591 20 0 GHADHM O=C1C(=Cc2ccc([O-])c(F)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000755406396 1023234894 /nfs/dbraw/zinc/23/48/94/1023234894.db2.gz LKKRNCCZQRQUTB-MDWZMJQESA-N -1 3 398.337 3.692 20 0 GHADHM CC(C)(CO)O[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC000836802315 1023376312 /nfs/dbraw/zinc/37/63/12/1023376312.db2.gz RFAONADMJGQAHJ-UHFFFAOYSA-N -1 3 388.414 3.864 20 0 GHADHM O=C1CCc2cc([O-])c(O[C@@H]3CCCN(Cc4cnc(Cl)s4)C3)cc21 ZINC001228854864 1033137002 /nfs/dbraw/zinc/13/70/02/1033137002.db2.gz YOJQBDLUMWUSDH-GFCCVEGCSA-N -1 3 378.881 3.674 20 0 GHADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228857515 1033138677 /nfs/dbraw/zinc/13/86/77/1033138677.db2.gz MSSMPZPMOWDSJN-ZDUSSCGKSA-N -1 3 375.465 3.936 20 0 GHADHM O=C([O-])[C@@H](CSCc1cccc2cccnc21)NCc1cccnc1Cl ZINC000756384594 1023622716 /nfs/dbraw/zinc/62/27/16/1023622716.db2.gz QGRNIJVELIJCMJ-MRXNPFEDSA-N -1 3 387.892 3.759 20 0 GHADHM CCOc1cccc(C[N-]C(=O)C(F)(F)c2nccs2)c1OC(F)F ZINC000756507875 1023689325 /nfs/dbraw/zinc/68/93/25/1023689325.db2.gz AJOBPVWFZAOKCU-UHFFFAOYSA-N -1 3 378.347 3.551 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1ccc(I)cc1[O-] ZINC001138176864 1024307028 /nfs/dbraw/zinc/30/70/28/1024307028.db2.gz WZIGWTQYQSEZRV-UHFFFAOYSA-N -1 3 381.213 3.877 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001228959151 1033200983 /nfs/dbraw/zinc/20/09/83/1033200983.db2.gz SETHEVQFWJDBBM-HNNXBMFYSA-N -1 3 393.480 3.733 20 0 GHADHM COCCOc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC001141258760 1024319827 /nfs/dbraw/zinc/31/98/27/1024319827.db2.gz SVNLKYOTMAGHNZ-UHFFFAOYSA-N -1 3 380.400 3.857 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837349126 1024366994 /nfs/dbraw/zinc/36/69/94/1024366994.db2.gz KQQXMYSSMFDXBF-UHFFFAOYSA-N -1 3 398.850 3.623 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837502193 1024510463 /nfs/dbraw/zinc/51/04/63/1024510463.db2.gz HWDJMTIGCHBLTC-UHFFFAOYSA-N -1 3 397.475 3.679 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccn2)Cc2ncccc2[O-])C1 ZINC001138396834 1024773690 /nfs/dbraw/zinc/77/36/90/1024773690.db2.gz QNNLPHNQMNZHBH-SFHVURJKSA-N -1 3 398.507 3.584 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nn(C)c4c3CCCC4)nc(=O)c2c1C ZINC000838276460 1025038507 /nfs/dbraw/zinc/03/85/07/1025038507.db2.gz XUOYQGZSMUEHSQ-SNVBAGLBSA-N -1 3 386.477 3.544 20 0 GHADHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1c([O-])ccc(Br)c1C ZINC001141435542 1025046114 /nfs/dbraw/zinc/04/61/14/1025046114.db2.gz QGLKKBLCKZCUEK-UHFFFAOYSA-N -1 3 387.233 3.528 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000838558086 1025208981 /nfs/dbraw/zinc/20/89/81/1025208981.db2.gz CVWLZACIWNMMTN-AWEZNQCLSA-N -1 3 379.386 3.650 20 0 GHADHM C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096362 1033275744 /nfs/dbraw/zinc/27/57/44/1033275744.db2.gz CJSKQRXKJDGPDS-GXTWGEPZSA-N -1 3 393.281 3.860 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229099394 1033279502 /nfs/dbraw/zinc/27/95/02/1033279502.db2.gz KIIMCCCCYNIHFN-JGZJWPJOSA-N -1 3 388.258 3.637 20 0 GHADHM [O-]c1cccc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1Br ZINC000838840148 1025391921 /nfs/dbraw/zinc/39/19/21/1025391921.db2.gz KFLZCFBYIJOVNK-UHFFFAOYSA-N -1 3 396.716 3.521 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3nn(CC(F)F)c4ccccc34)c(=O)c2c1 ZINC001161918688 1025495849 /nfs/dbraw/zinc/49/58/49/1025495849.db2.gz OISPDAYJGPBBSV-UHFFFAOYSA-N -1 3 382.370 3.704 20 0 GHADHM CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001162023349 1025545076 /nfs/dbraw/zinc/54/50/76/1025545076.db2.gz URULPFQQDZLCOB-HIFRSBDPSA-N -1 3 389.477 3.532 20 0 GHADHM CCOC(=O)c1oc([N-]CC(=O)Nc2ccc(Cl)cc2)nc1C(F)(F)F ZINC001162267768 1025697701 /nfs/dbraw/zinc/69/77/01/1025697701.db2.gz VPHNOWNJINCEAE-UHFFFAOYSA-N -1 3 391.733 3.574 20 0 GHADHM COc1ccc(-c2ccc(C)c(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c2)cn1 ZINC001139037133 1025813342 /nfs/dbraw/zinc/81/33/42/1025813342.db2.gz OQTQSMVXDHFXEW-UHFFFAOYSA-N -1 3 376.416 3.691 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)[n-]n1 ZINC001162885107 1025952713 /nfs/dbraw/zinc/95/27/13/1025952713.db2.gz DWDRNXCDVCTIJQ-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)n[n-]1 ZINC001162885107 1025952715 /nfs/dbraw/zinc/95/27/15/1025952715.db2.gz DWDRNXCDVCTIJQ-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM Cc1c(Br)cccc1CC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885248 1025953870 /nfs/dbraw/zinc/95/38/70/1025953870.db2.gz JJJOVLSVSAMOHU-UHFFFAOYSA-N -1 3 394.269 3.617 20 0 GHADHM Cc1c(Br)cccc1CC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885248 1025953873 /nfs/dbraw/zinc/95/38/73/1025953873.db2.gz JJJOVLSVSAMOHU-UHFFFAOYSA-N -1 3 394.269 3.617 20 0 GHADHM CCc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c([O-])c1 ZINC001162927102 1025968750 /nfs/dbraw/zinc/96/87/50/1025968750.db2.gz WYLHTWJCSPFUNM-RBSFLKMASA-N -1 3 376.497 3.813 20 0 GHADHM COC(=O)c1ccsc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001141707423 1026306211 /nfs/dbraw/zinc/30/62/11/1026306211.db2.gz AFGWIKBLQVMXLL-UHFFFAOYSA-N -1 3 383.451 3.591 20 0 GHADHM CN1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@@H]1C(C)(C)C ZINC001163929481 1026364501 /nfs/dbraw/zinc/36/45/01/1026364501.db2.gz LPYWSCJZCLLONA-QGZVFWFLSA-N -1 3 391.512 3.542 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)COc2ccccc2-c2ccccc2)n1 ZINC001164262890 1026468089 /nfs/dbraw/zinc/46/80/89/1026468089.db2.gz ZALSCNWVTYTTGY-UHFFFAOYSA-N -1 3 377.444 3.588 20 0 GHADHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)o1 ZINC001209824663 1027223840 /nfs/dbraw/zinc/22/38/40/1027223840.db2.gz VKFOEWHEZNDEDN-OAHLLOKOSA-N -1 3 391.411 3.835 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001209855511 1027247376 /nfs/dbraw/zinc/24/73/76/1027247376.db2.gz VKTMJNZIQJLURD-NHYWBVRUSA-N -1 3 389.304 3.751 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC001210112699 1027344492 /nfs/dbraw/zinc/34/44/92/1027344492.db2.gz VDOVZYJVNSAXAR-UHFFFAOYSA-N -1 3 381.519 3.935 20 0 GHADHM CC(C)c1ccc([C@H]2CCCCN2C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1 ZINC001210458297 1027519280 /nfs/dbraw/zinc/51/92/80/1027519280.db2.gz LJQKGJUZMCEIHH-QGZVFWFLSA-N -1 3 396.495 3.579 20 0 GHADHM CCCOc1ccc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(F)c1F ZINC001203690813 1027537060 /nfs/dbraw/zinc/53/70/60/1027537060.db2.gz MUABLRQLWFHVAS-UHFFFAOYSA-N -1 3 397.422 3.934 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001210624504 1027579247 /nfs/dbraw/zinc/57/92/47/1027579247.db2.gz VXCAYNXKSFKZDZ-QWHCGFSZSA-N -1 3 396.347 3.931 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-][C@@H]1COc2c1cccc2Cl ZINC001210810760 1027660168 /nfs/dbraw/zinc/66/01/68/1027660168.db2.gz RNTAZFHKWQDYQT-CQSZACIVSA-N -1 3 376.236 3.686 20 0 GHADHM CS(=O)(=O)c1cc(Br)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210860545 1027683397 /nfs/dbraw/zinc/68/33/97/1027683397.db2.gz XJHKXYBMGGMTAB-UHFFFAOYSA-N -1 3 376.659 3.955 20 0 GHADHM C=COc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1 ZINC000840918463 1027955849 /nfs/dbraw/zinc/95/58/49/1027955849.db2.gz UGLRDCQHOQOKHE-AWEZNQCLSA-N -1 3 393.436 3.564 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1(F)F ZINC001213148014 1028017198 /nfs/dbraw/zinc/01/71/98/1028017198.db2.gz KHRZLVOIECZGPL-NSHDSACASA-N -1 3 388.661 3.816 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)C)c1 ZINC001213330105 1028113894 /nfs/dbraw/zinc/11/38/94/1028113894.db2.gz GSAJQURMQFWGFC-SFHVURJKSA-N -1 3 379.453 3.596 20 0 GHADHM [O-]c1cc(Cl)c(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(Cl)c1 ZINC001142105474 1028115721 /nfs/dbraw/zinc/11/57/21/1028115721.db2.gz BJXFREAHZCLYGN-OLZOCXBDSA-N -1 3 376.177 3.926 20 0 GHADHM CC(C)Oc1ncnc2c1CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142108883 1028126474 /nfs/dbraw/zinc/12/64/74/1028126474.db2.gz DICYJTAUISITEC-UHFFFAOYSA-N -1 3 382.291 3.877 20 0 GHADHM [O-]c1cc(Cl)c(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c(Cl)c1 ZINC001142109567 1028129860 /nfs/dbraw/zinc/12/98/60/1028129860.db2.gz VEGGLJUBLWOAHD-AWEZNQCLSA-N -1 3 396.318 3.954 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)C[C@@H]1F ZINC001142114391 1028155852 /nfs/dbraw/zinc/15/58/52/1028155852.db2.gz GKHPEWDMADGXCQ-UONOGXRCSA-N -1 3 379.259 3.746 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2Cc2ccccc2)c(F)cc1F ZINC001213438178 1028191622 /nfs/dbraw/zinc/19/16/22/1028191622.db2.gz HJLDOWVZMOADIJ-QGZVFWFLSA-N -1 3 394.487 3.606 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC001213468321 1028206793 /nfs/dbraw/zinc/20/67/93/1028206793.db2.gz DDOUGACMRSVXGP-CYBMUJFWSA-N -1 3 385.835 3.985 20 0 GHADHM CC(C)COc1cccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001142146158 1028244338 /nfs/dbraw/zinc/24/43/38/1028244338.db2.gz PKLMZSZINCCSQG-UHFFFAOYSA-N -1 3 386.398 3.771 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(I)cc3F)no2)n1 ZINC001213697823 1028336558 /nfs/dbraw/zinc/33/65/58/1028336558.db2.gz FNLJQSYZCLZEPE-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3cccc4cccc2c43)c1 ZINC001213797471 1028381912 /nfs/dbraw/zinc/38/19/12/1028381912.db2.gz CXOXCELITQXGRC-GOSISDBHSA-N -1 3 399.443 3.731 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(OC)c(C(F)(F)F)c3)no2)[n-]1 ZINC001213974821 1028483401 /nfs/dbraw/zinc/48/34/01/1028483401.db2.gz CCWYHBGPGSFXEO-UHFFFAOYSA-N -1 3 381.310 3.936 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(C)c(OC(C)C)c1)OCC ZINC001214332353 1028678137 /nfs/dbraw/zinc/67/81/37/1028678137.db2.gz RCNYYUOKGNDRAX-UHFFFAOYSA-N -1 3 375.469 3.963 20 0 GHADHM COC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)c(Br)n1 ZINC001214558475 1028792554 /nfs/dbraw/zinc/79/25/54/1028792554.db2.gz XFMAKRDEUSSDBW-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1c(Cl)ccc([O-])c1F ZINC001214564756 1028795416 /nfs/dbraw/zinc/79/54/16/1028795416.db2.gz LNUVHYGWICMCMO-UHFFFAOYSA-N -1 3 393.846 3.605 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCOc2ccc(Br)cc2)c1 ZINC001142728935 1029354300 /nfs/dbraw/zinc/35/43/00/1029354300.db2.gz NLOAYKKFXHHUDY-UHFFFAOYSA-N -1 3 382.279 3.685 20 0 GHADHM c1cnc(OC2CCCCC2)c(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC001216107918 1029526329 /nfs/dbraw/zinc/52/63/29/1029526329.db2.gz IXNQGWCLOBOSGC-UHFFFAOYSA-N -1 3 389.419 3.690 20 0 GHADHM c1cnc(OC2CCCCC2)c(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC001216107918 1029526339 /nfs/dbraw/zinc/52/63/39/1029526339.db2.gz IXNQGWCLOBOSGC-UHFFFAOYSA-N -1 3 389.419 3.690 20 0 GHADHM CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736708 1029582190 /nfs/dbraw/zinc/58/21/90/1029582190.db2.gz XXJJTWXMHVNEPH-JLTOFOAXSA-N -1 3 380.916 3.810 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccccc2Br)[n-]n1 ZINC001142901413 1029661988 /nfs/dbraw/zinc/66/19/88/1029661988.db2.gz UZLISQCABMAUFB-UHFFFAOYSA-N -1 3 394.269 3.699 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccccc2Br)n[n-]1 ZINC001142901413 1029661993 /nfs/dbraw/zinc/66/19/93/1029661993.db2.gz UZLISQCABMAUFB-UHFFFAOYSA-N -1 3 394.269 3.699 20 0 GHADHM COc1cc(COc2cccc(Nc3ccc(C(N)=O)c([O-])c3)c2)cc(OC)c1 ZINC001216496663 1029662320 /nfs/dbraw/zinc/66/23/20/1029662320.db2.gz YKWBLDYCZBODIT-UHFFFAOYSA-N -1 3 394.427 3.831 20 0 GHADHM [O-]c1cc(O)cc(O)c1-c1nc(-c2cccc(Cl)c2Br)no1 ZINC001216729031 1029907251 /nfs/dbraw/zinc/90/72/51/1029907251.db2.gz YSQMDHCEEHANEP-UHFFFAOYSA-N -1 3 383.585 3.936 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-]Cc1nc(-c2ccccc2)cs1 ZINC000185680853 1029920379 /nfs/dbraw/zinc/92/03/79/1029920379.db2.gz LCCNBPAVQGKNPG-UHFFFAOYSA-N -1 3 385.470 3.571 20 0 GHADHM COc1cc(Br)cnc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895013 1029985166 /nfs/dbraw/zinc/98/51/66/1029985166.db2.gz BYZPKUASPLCSMC-UHFFFAOYSA-N -1 3 380.173 3.723 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000843426909 1029998139 /nfs/dbraw/zinc/99/81/39/1029998139.db2.gz DSXBCWCZIYOVTC-UHFFFAOYSA-N -1 3 378.419 3.985 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ccc3c(c2)C(C)(C)NC(=O)N3)c1[O-] ZINC001149196762 1030087311 /nfs/dbraw/zinc/08/73/11/1030087311.db2.gz KECAYWQEVZXBAL-UHFFFAOYSA-N -1 3 376.416 3.871 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1[O-] ZINC001149194800 1030087447 /nfs/dbraw/zinc/08/74/47/1030087447.db2.gz BKIPSGSQROFREC-UHFFFAOYSA-N -1 3 395.890 3.860 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccccc1OCc1ccc(Cl)cc1)C2 ZINC001149672135 1030265709 /nfs/dbraw/zinc/26/57/09/1030265709.db2.gz QWQQOWBTSILPNJ-UHFFFAOYSA-N -1 3 395.846 3.879 20 0 GHADHM Cc1cccc(CN2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3[O-])C2)c1 ZINC001149847097 1030323857 /nfs/dbraw/zinc/32/38/57/1030323857.db2.gz MIARUSOGXAVFDE-HNNXBMFYSA-N -1 3 378.394 3.724 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4cc(F)c(F)cc4OC)no3)c2c1 ZINC001217499866 1030442735 /nfs/dbraw/zinc/44/27/35/1030442735.db2.gz LXKLMOXBRFCBPM-UHFFFAOYSA-N -1 3 385.326 3.953 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001150206928 1030449465 /nfs/dbraw/zinc/44/94/65/1030449465.db2.gz FMKROEAGLKMOQI-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001150206928 1030449468 /nfs/dbraw/zinc/44/94/68/1030449468.db2.gz FMKROEAGLKMOQI-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001150405401 1030516873 /nfs/dbraw/zinc/51/68/73/1030516873.db2.gz HHDMOISBVYRTAU-BMGDILEWSA-N -1 3 388.508 3.855 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001217636792 1030559718 /nfs/dbraw/zinc/55/97/18/1030559718.db2.gz HKHRZORSUIUQBV-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)o2)cc1C ZINC001217752662 1030642488 /nfs/dbraw/zinc/64/24/88/1030642488.db2.gz WTIPMAKWRCYQJH-SFHVURJKSA-N -1 3 391.427 3.798 20 0 GHADHM CC(C)=CCc1c([O-])cc(OC2CNC2)c2c(=O)cc(-c3ccc(O)cc3)oc12 ZINC001218054051 1030745385 /nfs/dbraw/zinc/74/53/85/1030745385.db2.gz IKTGAEQWTBGHBC-UHFFFAOYSA-N -1 3 393.439 3.731 20 0 GHADHM COC(=O)c1cc(F)cc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)c1 ZINC001151059783 1030760226 /nfs/dbraw/zinc/76/02/26/1030760226.db2.gz VQNMCOBFQSUXOR-UHFFFAOYSA-N -1 3 393.346 3.661 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC001151328886 1030863586 /nfs/dbraw/zinc/86/35/86/1030863586.db2.gz MGEHBNFPVDLDRX-CYBMUJFWSA-N -1 3 382.888 3.955 20 0 GHADHM C[C@H]1CCCC(=O)CCCC=Cc2cc([O-])cc(O[C@H]3C[C@H](O)C3)c2C(=O)O1 ZINC001218361087 1030909453 /nfs/dbraw/zinc/90/94/53/1030909453.db2.gz FVWBOKJUAVQESW-JVPBZIDWSA-N -1 3 388.460 3.776 20 0 GHADHM O=C(Nc1nc2c(s1)C(=O)CCC2)c1nc2cc(Br)ccc2[n-]1 ZINC001151821532 1031017429 /nfs/dbraw/zinc/01/74/29/1031017429.db2.gz RMZIXPAHGBQYBI-UHFFFAOYSA-N -1 3 391.250 3.553 20 0 GHADHM O=C(Nc1nc2c(s1)C(=O)CCC2)c1nc2ccc(Br)cc2[n-]1 ZINC001151821532 1031017446 /nfs/dbraw/zinc/01/74/46/1031017446.db2.gz RMZIXPAHGBQYBI-UHFFFAOYSA-N -1 3 391.250 3.553 20 0 GHADHM Cc1nc2c(NC(=O)c3nc4cc(Br)ccc4[n-]3)cccn2c1C ZINC001151821330 1031017632 /nfs/dbraw/zinc/01/76/32/1031017632.db2.gz KIRMKKWXQOYSBP-UHFFFAOYSA-N -1 3 384.237 3.842 20 0 GHADHM Cc1nc2c(NC(=O)c3nc4ccc(Br)cc4[n-]3)cccn2c1C ZINC001151821330 1031017641 /nfs/dbraw/zinc/01/76/41/1031017641.db2.gz KIRMKKWXQOYSBP-UHFFFAOYSA-N -1 3 384.237 3.842 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1nc2cc(Br)ccc2[n-]1 ZINC001151826658 1031021359 /nfs/dbraw/zinc/02/13/59/1031021359.db2.gz KTVHIPHUQDSNDM-UHFFFAOYSA-N -1 3 399.248 3.853 20 0 GHADHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1nc2ccc(Br)cc2[n-]1 ZINC001151826658 1031021375 /nfs/dbraw/zinc/02/13/75/1031021375.db2.gz KTVHIPHUQDSNDM-UHFFFAOYSA-N -1 3 399.248 3.853 20 0 GHADHM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153460225 1031603799 /nfs/dbraw/zinc/60/37/99/1031603799.db2.gz DEFUYFUQULLXIS-YGRLFVJLSA-N -1 3 384.860 3.745 20 0 GHADHM CNc1ccc(CNC(=O)CCCCCCCNC(=O)c2ccccc2[O-])cc1 ZINC001219957427 1031717933 /nfs/dbraw/zinc/71/79/33/1031717933.db2.gz PMMHJQFHVNYHEA-UHFFFAOYSA-N -1 3 397.519 3.821 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226116401 1031796120 /nfs/dbraw/zinc/79/61/20/1031796120.db2.gz BXRURXMIELDTDV-KBPBESRZSA-N -1 3 383.489 3.759 20 0 GHADHM O=C(NCCc1c(F)cccc1Cl)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153900290 1031799732 /nfs/dbraw/zinc/79/97/32/1031799732.db2.gz WZUKBRUXERFXFK-UHFFFAOYSA-N -1 3 379.218 3.947 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001153904955 1031802355 /nfs/dbraw/zinc/80/23/55/1031802355.db2.gz ZJYHLKNPVQFOFD-OAHLLOKOSA-N -1 3 396.756 3.678 20 0 GHADHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001154026167 1031883085 /nfs/dbraw/zinc/88/30/85/1031883085.db2.gz JCRMZMZNRBDPNZ-MRXNPFEDSA-N -1 3 377.322 3.748 20 0 GHADHM O=C(CCCCNC(=O)c1c(O)cc2ccccc2c1[O-])OCc1ccccc1 ZINC001154030807 1031887681 /nfs/dbraw/zinc/88/76/81/1031887681.db2.gz KOPOXPNKCUPXFD-UHFFFAOYSA-N -1 3 393.439 3.895 20 0 GHADHM CC(C)(Oc1[n-]c(=S)nc2c1CCC2)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001226299742 1031906957 /nfs/dbraw/zinc/90/69/57/1031906957.db2.gz GCAANRBNCDVCGD-INIZCTEOSA-N -1 3 396.468 3.522 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(-c4ccc(N)cc4)cc3)[n-]nc21 ZINC001154147374 1031950750 /nfs/dbraw/zinc/95/07/50/1031950750.db2.gz WQLOQTLCYDTFDT-UHFFFAOYSA-N -1 3 386.411 3.851 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc(-c4ccc(N)cc4)cc3)n[n-]c21 ZINC001154147374 1031950755 /nfs/dbraw/zinc/95/07/55/1031950755.db2.gz WQLOQTLCYDTFDT-UHFFFAOYSA-N -1 3 386.411 3.851 20 0 GHADHM Cc1ccsc1C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461829318 1069776931 /nfs/dbraw/zinc/77/69/31/1069776931.db2.gz UCPPEOFZJUVPQW-UHFFFAOYSA-N -1 3 381.866 3.518 20 0 GHADHM Cc1ccsc1C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461829318 1069776935 /nfs/dbraw/zinc/77/69/35/1069776935.db2.gz UCPPEOFZJUVPQW-UHFFFAOYSA-N -1 3 381.866 3.518 20 0 GHADHM CCOC(=O)[C@H]1C[C@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])c2ccccc2O1 ZINC001226537268 1032000782 /nfs/dbraw/zinc/00/07/82/1032000782.db2.gz GWHNKQJYROEHBU-AZUAARDMSA-N -1 3 396.395 3.641 20 0 GHADHM COc1ccc(OC(C)C)c(COc2[n-]c(=O)nc3nc(Cl)ccc32)c1 ZINC001226557105 1032013221 /nfs/dbraw/zinc/01/32/21/1032013221.db2.gz XASMJVGOWSXJEE-UHFFFAOYSA-N -1 3 375.812 3.759 20 0 GHADHM O=C(c1ccc2c(=O)[nH][n-]c(=O)c2c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001154313743 1032037665 /nfs/dbraw/zinc/03/76/65/1032037665.db2.gz BPLJZKUEVPOBPP-UHFFFAOYSA-N -1 3 388.427 3.542 20 0 GHADHM O=C(c1ccc2c(=O)[n-][nH]c(=O)c2c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001154313743 1032037686 /nfs/dbraw/zinc/03/76/86/1032037686.db2.gz BPLJZKUEVPOBPP-UHFFFAOYSA-N -1 3 388.427 3.542 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154317356 1032040222 /nfs/dbraw/zinc/04/02/22/1032040222.db2.gz ZHBOBVMLAZWVGV-UHFFFAOYSA-N -1 3 393.399 3.725 20 0 GHADHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154317356 1032040237 /nfs/dbraw/zinc/04/02/37/1032040237.db2.gz ZHBOBVMLAZWVGV-UHFFFAOYSA-N -1 3 393.399 3.725 20 0 GHADHM COc1cc2ccc(=O)oc2c(O[C@H]2CCCN([C@@H](C)c3ccccn3)C2)c1[O-] ZINC001229215860 1033348860 /nfs/dbraw/zinc/34/88/60/1033348860.db2.gz MLKYUEDZRMWGSR-HOCLYGCPSA-N -1 3 396.443 3.507 20 0 GHADHM Cc1ccnc(N2CCC(Oc3[n-]c(=S)nc4nc(C)cc(C)c43)CC2)c1 ZINC001229307633 1033408355 /nfs/dbraw/zinc/40/83/55/1033408355.db2.gz YGLCSSRWQLSQJD-UHFFFAOYSA-N -1 3 381.505 3.682 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccnc2Sc2ccccc2)[n-]n1 ZINC001157100184 1033412725 /nfs/dbraw/zinc/41/27/25/1033412725.db2.gz NZSLQHGHCMHGGX-UHFFFAOYSA-N -1 3 382.445 3.773 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccnc2Sc2ccccc2)n[n-]1 ZINC001157100184 1033412737 /nfs/dbraw/zinc/41/27/37/1033412737.db2.gz NZSLQHGHCMHGGX-UHFFFAOYSA-N -1 3 382.445 3.773 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001229337290 1033421961 /nfs/dbraw/zinc/42/19/61/1033421961.db2.gz DCSDNNAHPWKEPE-IBGZPJMESA-N -1 3 396.447 3.585 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC001229337290 1033421970 /nfs/dbraw/zinc/42/19/70/1033421970.db2.gz DCSDNNAHPWKEPE-IBGZPJMESA-N -1 3 396.447 3.585 20 0 GHADHM CCCO[C@H](C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1C ZINC001157242273 1033488836 /nfs/dbraw/zinc/48/88/36/1033488836.db2.gz LBDLLRCCFHANNR-MFKMUULPSA-N -1 3 388.365 3.616 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2Oc1nc(=S)[n-]c2sccc21 ZINC001229563534 1033559051 /nfs/dbraw/zinc/55/90/51/1033559051.db2.gz BSZFGMGALPOABD-CKYFFXLPSA-N -1 3 379.507 3.757 20 0 GHADHM c1ccc(C(c2ccccc2)N2CC(Oc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC001229956489 1033816328 /nfs/dbraw/zinc/81/63/28/1033816328.db2.gz FOMYDCQICDSSMC-UHFFFAOYSA-N -1 3 383.455 3.719 20 0 GHADHM c1ccc(C(c2ccccc2)N2CC(Oc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC001229956489 1033816343 /nfs/dbraw/zinc/81/63/43/1033816343.db2.gz FOMYDCQICDSSMC-UHFFFAOYSA-N -1 3 383.455 3.719 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc2c(c1)CCC(C)(C)O2)OCC ZINC001213012106 1033855494 /nfs/dbraw/zinc/85/54/94/1033855494.db2.gz VRUXUXNATPDKTL-UHFFFAOYSA-N -1 3 387.480 3.971 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cc2cnccc2o1 ZINC001230419263 1034043284 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/nfs/dbraw/zinc/60/39/38/1034603938.db2.gz CHDFJPMCDGVCQQ-UHFFFAOYSA-N -1 3 385.435 3.765 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2c1cnn2CC ZINC001231523687 1034675009 /nfs/dbraw/zinc/67/50/09/1034675009.db2.gz VTNBUCJJOVZPAX-AWEZNQCLSA-N -1 3 383.414 3.763 20 0 GHADHM COC(=O)c1ccccc1N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231523576 1034675632 /nfs/dbraw/zinc/67/56/32/1034675632.db2.gz ZYVPPGXNBFSXEH-UHFFFAOYSA-N -1 3 394.393 3.520 20 0 GHADHM COc1cccnc1O[C@@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231525661 1034679356 /nfs/dbraw/zinc/67/93/56/1034679356.db2.gz DPVHQPOYMSCLIV-CQSZACIVSA-N -1 3 382.382 3.858 20 0 GHADHM CC(C)=CCN1CC[C@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277549401 1034826663 /nfs/dbraw/zinc/82/66/63/1034826663.db2.gz ZWLLNFLMNFILOO-LJQANCHMSA-N -1 3 393.325 3.688 20 0 GHADHM [O-]c1cc(CN2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)ccc1Cl ZINC001231738515 1034872512 /nfs/dbraw/zinc/87/25/12/1034872512.db2.gz QDPPTSQZIQXKMW-MGPUTAFESA-N -1 3 392.858 3.782 20 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XNSMZOWACNVYAM-ZDUSSCGKSA-N -1 3 389.398 3.896 20 0 GHADHM Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241445217 1035584947 /nfs/dbraw/zinc/58/49/47/1035584947.db2.gz WMVQFLWEFKYNNW-UHFFFAOYSA-N -1 3 381.443 3.944 20 0 GHADHM Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241445217 1035584961 /nfs/dbraw/zinc/58/49/61/1035584961.db2.gz WMVQFLWEFKYNNW-UHFFFAOYSA-N -1 3 381.443 3.944 20 0 GHADHM NS(=O)(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC001242158413 1035835282 /nfs/dbraw/zinc/83/52/82/1035835282.db2.gz WYWFOSIACPJBHG-UHFFFAOYSA-N -1 3 385.285 3.744 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(-c2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001244216931 1036434383 /nfs/dbraw/zinc/43/43/83/1036434383.db2.gz KSFKFODWHLCDAL-UHFFFAOYSA-N -1 3 379.464 3.805 20 0 GHADHM CCCN(CCC)C(=O)c1cccc(-c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001244216931 1036434385 /nfs/dbraw/zinc/43/43/85/1036434385.db2.gz KSFKFODWHLCDAL-UHFFFAOYSA-N -1 3 379.464 3.805 20 0 GHADHM COc1cccc(-n2nccc(-c3ccc(OC(F)(F)F)cc3[O-])c2=O)c1 ZINC001244468380 1036516921 /nfs/dbraw/zinc/51/69/21/1036516921.db2.gz VIVVFTQOJJPVDF-UHFFFAOYSA-N -1 3 378.306 3.512 20 0 GHADHM Cc1cc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc([O-])c1F ZINC001244507677 1036524027 /nfs/dbraw/zinc/52/40/27/1036524027.db2.gz NZZDKGOABWEGNK-UHFFFAOYSA-N -1 3 399.491 3.832 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC001278412686 1036960234 /nfs/dbraw/zinc/96/02/34/1036960234.db2.gz BDOAKHBXKQAIGO-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM COc1cc(CNC(=S)Nc2c(F)cc(F)cc2F)cc(Cl)c1[O-] ZINC001247457668 1038199216 /nfs/dbraw/zinc/19/92/16/1038199216.db2.gz YTGURDOGMAYNHN-UHFFFAOYSA-N -1 3 376.787 3.958 20 0 GHADHM COc1ccc(Br)c(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1 ZINC001247565366 1038251064 /nfs/dbraw/zinc/25/10/64/1038251064.db2.gz VLOZXJPJUIVBSO-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(F)c([O-])c(Br)c1 ZINC001232630672 1038417575 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GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(SC(F)(F)F)c2)CC1 ZINC001232946093 1038723805 /nfs/dbraw/zinc/72/38/05/1038723805.db2.gz BRPPLVHXWDRAQG-UHFFFAOYSA-N -1 3 396.434 3.962 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3cc([O-])c(F)c(F)c3)CC2)C1 ZINC001232970318 1038742132 /nfs/dbraw/zinc/74/21/32/1038742132.db2.gz JZXAJUOBWIQYLD-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001233037179 1038795583 /nfs/dbraw/zinc/79/55/83/1038795583.db2.gz ZDPDUBKXHYFFIR-UHFFFAOYSA-N -1 3 380.835 3.948 20 0 GHADHM C[C@H]1Cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2N(C)C1=O ZINC001252044720 1038828284 /nfs/dbraw/zinc/82/82/84/1038828284.db2.gz ZRZPNYUWCJNGLW-AWEZNQCLSA-N -1 3 386.517 3.940 20 0 GHADHM CC(C)S(=O)(=O)[N-]c1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001252530608 1039024104 /nfs/dbraw/zinc/02/41/04/1039024104.db2.gz WZJSUDIRWCNMOL-UHFFFAOYSA-N -1 3 398.525 3.615 20 0 GHADHM O=S(=O)([N-]C1CCC2(CCOCC2)CC1)c1ccc(F)cc1C(F)(F)F ZINC001252685205 1039079836 /nfs/dbraw/zinc/07/98/36/1039079836.db2.gz MWYFOHKNXJAIPC-UHFFFAOYSA-N -1 3 395.418 3.862 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nnc(-c2cccc(Br)c2)o1 ZINC001253170250 1039461650 /nfs/dbraw/zinc/46/16/50/1039461650.db2.gz GCPNFPSAJMVLHZ-UHFFFAOYSA-N -1 3 399.204 3.829 20 0 GHADHM COC(=O)c1cccc2c(-c3nnc(-c4cccc(Br)c4)o3)n[n-]c21 ZINC001253170250 1039461657 /nfs/dbraw/zinc/46/16/57/1039461657.db2.gz GCPNFPSAJMVLHZ-UHFFFAOYSA-N -1 3 399.204 3.829 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2ccc(F)c(F)c2[O-])cc1 ZINC001253428409 1039624772 /nfs/dbraw/zinc/62/47/72/1039624772.db2.gz DLRAHWXHVHXBIC-CQSZACIVSA-N -1 3 379.403 3.598 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001253955657 1039921546 /nfs/dbraw/zinc/92/15/46/1039921546.db2.gz APXMPIFCYORYRH-VIFPVBQESA-N -1 3 383.370 3.846 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2c(Cl)ccc([O-])c2F)C1 ZINC001234262850 1039943683 /nfs/dbraw/zinc/94/36/83/1039943683.db2.gz JMATWDOVMOIEII-NSHDSACASA-N -1 3 375.824 3.590 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2c(Cl)ccc([O-])c2F)[C@H]2OCC[C@@H]21 ZINC001234263825 1039944243 /nfs/dbraw/zinc/94/42/43/1039944243.db2.gz HUIUYTVILRBZID-RBOXIYTFSA-N -1 3 387.835 3.730 20 0 GHADHM COC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1 ZINC001254159934 1040013711 /nfs/dbraw/zinc/01/37/11/1040013711.db2.gz FYPHYKCAQUVARJ-UHFFFAOYSA-N -1 3 387.501 3.926 20 0 GHADHM COC(=O)[C@@H]1CCc2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 ZINC001254166967 1040019989 /nfs/dbraw/zinc/01/99/89/1040019989.db2.gz XNNVBGOXECQRLO-LJQANCHMSA-N -1 3 387.501 3.924 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](COc1c([O-])cc(Cl)cc1F)O2 ZINC001234448992 1040040910 /nfs/dbraw/zinc/04/09/10/1040040910.db2.gz ZUTJBHMPOCQTBD-GFCCVEGCSA-N -1 3 387.835 3.732 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1cccc(C(F)(F)F)c1 ZINC001254302474 1040154584 /nfs/dbraw/zinc/15/45/84/1040154584.db2.gz TZYOYUSLQDILQK-UHFFFAOYSA-N -1 3 396.184 3.974 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H]1CCc2cccnc21 ZINC001234607613 1040164975 /nfs/dbraw/zinc/16/49/75/1040164975.db2.gz DEGMEJAJFGPXBE-ZDUSSCGKSA-N -1 3 378.222 3.793 20 0 GHADHM COC(=O)[C@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1ccccc1Cl ZINC001234793250 1040324637 /nfs/dbraw/zinc/32/46/37/1040324637.db2.gz NVMIYUIBSPJPLG-GOSISDBHSA-N -1 3 378.808 3.858 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234794076 1040324672 /nfs/dbraw/zinc/32/46/72/1040324672.db2.gz YABSBFLDOUOXCJ-PJIJBLCYSA-N -1 3 391.464 3.689 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2c(CCN3CCCC3)cccc2OC)cc1 ZINC001255075526 1040767082 /nfs/dbraw/zinc/76/70/82/1040767082.db2.gz IYCXQXZUHJTLQE-UHFFFAOYSA-N -1 3 388.533 3.697 20 0 GHADHM O=S(=O)([N-]c1cc(Br)ncc1F)c1ccc(C(F)(F)F)cc1 ZINC001255875811 1041371507 /nfs/dbraw/zinc/37/15/07/1041371507.db2.gz UMOBPGJMUJGJJK-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CCCOc1ccc(-c2nnc(-c3n[n-]c4cc(C(=O)OC)ccc43)o2)cc1 ZINC001256246277 1041673598 /nfs/dbraw/zinc/67/35/98/1041673598.db2.gz MJISWUKWPAGUSJ-UHFFFAOYSA-N -1 3 378.388 3.855 20 0 GHADHM CCOC[C@@H]1CN(Cc2ccc(Br)c([O-])c2)Cc2nn(CC)cc21 ZINC001236684434 1041830454 /nfs/dbraw/zinc/83/04/54/1041830454.db2.gz MRRVJGDUXBPBIL-AWEZNQCLSA-N -1 3 394.313 3.507 20 0 GHADHM Cc1ccnc(OC2CCN(Cc3ccc(Br)c([O-])c3)CC2)c1 ZINC001236694705 1041837151 /nfs/dbraw/zinc/83/71/51/1041837151.db2.gz HLFFIFSPYSJNOU-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)c1 ZINC001236696882 1041837752 /nfs/dbraw/zinc/83/77/52/1041837752.db2.gz ZHYFCFRPBTVGQO-OAHLLOKOSA-N -1 3 377.282 3.902 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cc([O-])cc(F)c2)C1 ZINC001237282147 1042122488 /nfs/dbraw/zinc/12/24/88/1042122488.db2.gz YUTRWPRDGZDACE-OCCSQVGLSA-N -1 3 392.393 3.809 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)CCN2)c1ccc(Br)c(Cl)c1 ZINC001237621854 1042288620 /nfs/dbraw/zinc/28/86/20/1042288620.db2.gz LGZKORKMGREPRK-UHFFFAOYSA-N -1 3 387.686 3.871 20 0 GHADHM [O-]c1cc(F)c(CN2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)cc1Cl ZINC001238146249 1042503449 /nfs/dbraw/zinc/50/34/49/1042503449.db2.gz GBLHKJCTPVONJI-RDJZCZTQSA-N -1 3 376.859 3.522 20 0 GHADHM Cc1cc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)c(C)cc1Br ZINC001238281767 1042539819 /nfs/dbraw/zinc/53/98/19/1042539819.db2.gz NXTPSWYYQCINEA-UHFFFAOYSA-N -1 3 393.247 3.709 20 0 GHADHM CCOC(=O)C[C@@H]1CCN(Cc2c(Br)ccc([O-])c2F)C[C@H]1C ZINC001238313569 1042552876 /nfs/dbraw/zinc/55/28/76/1042552876.db2.gz WWQQJDVEOMPDJX-NEPJUHHUSA-N -1 3 388.277 3.705 20 0 GHADHM CN(CCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001462715322 1070494601 /nfs/dbraw/zinc/49/46/01/1070494601.db2.gz WODQYMIRBBTDJA-UHFFFAOYSA-N -1 3 387.530 3.615 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 ZINC001256563260 1043537828 /nfs/dbraw/zinc/53/78/28/1043537828.db2.gz XIJSQHKPPIWMKA-JTQLQIEISA-N -1 3 386.709 3.720 20 0 GHADHM COc1ccc(CC[C@@H](C)NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001292281786 1043662528 /nfs/dbraw/zinc/66/25/28/1043662528.db2.gz NZJYNOJASIXPOM-GFCCVEGCSA-N -1 3 386.398 3.566 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc2nc(Cl)ncc2s1 ZINC001462754674 1070525071 /nfs/dbraw/zinc/52/50/71/1070525071.db2.gz QYMFYKFHPOMLNB-GRYCIOLGSA-N -1 3 385.942 3.982 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)cc21 ZINC001292677006 1043828397 /nfs/dbraw/zinc/82/83/97/1043828397.db2.gz IWQPCKGRPDBLHV-UHFFFAOYSA-N -1 3 382.370 3.989 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCC[C@H]1C1CCC1 ZINC001292735357 1043855028 /nfs/dbraw/zinc/85/50/28/1043855028.db2.gz HYOLIIQPBLHXBC-AWEZNQCLSA-N -1 3 380.366 3.831 20 0 GHADHM O=S(=O)([N-]Cc1cncc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC001257293800 1043959079 /nfs/dbraw/zinc/95/90/79/1043959079.db2.gz SDUYVVZOPBKPIF-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM CCOC(=O)c1ccc(-c2nnc(-c3cccc(Cn4nc(C)cc4C)c3)o2)[n-]1 ZINC001257469013 1044005740 /nfs/dbraw/zinc/00/57/40/1044005740.db2.gz PNBULQRUUKSZSB-UHFFFAOYSA-N -1 3 391.431 3.770 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1Cl ZINC001293523480 1044227158 /nfs/dbraw/zinc/22/71/58/1044227158.db2.gz QHLNLFGPIXXYGV-UHFFFAOYSA-N -1 3 384.613 3.847 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nnc(CCc2ccccc2)o1 ZINC001257936668 1044263102 /nfs/dbraw/zinc/26/31/02/1044263102.db2.gz DNBPOYKYOKVCHY-CYBMUJFWSA-N -1 3 391.880 3.548 20 0 GHADHM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1c(Cl)cc([O-])cc1Cl ZINC001279081334 1044457202 /nfs/dbraw/zinc/45/72/02/1044457202.db2.gz IAOBXECOWPTCLR-OKILXGFUSA-N -1 3 395.334 3.764 20 0 GHADHM CC(C)(Cc1cccc(Br)c1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001294155849 1044501364 /nfs/dbraw/zinc/50/13/64/1044501364.db2.gz HJUUXHWRPFRATP-UHFFFAOYSA-N -1 3 391.244 3.611 20 0 GHADHM COc1ccc(C(=O)NC(C)(C)Cc2cccc(Br)c2)c([O-])c1 ZINC001294157092 1044502970 /nfs/dbraw/zinc/50/29/70/1044502970.db2.gz OPAXPBLIPWTSBY-UHFFFAOYSA-N -1 3 378.266 3.914 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccc(F)cc1 ZINC001258485339 1044577328 /nfs/dbraw/zinc/57/73/28/1044577328.db2.gz BWLDQTRVLUNHOW-OAHLLOKOSA-N -1 3 385.892 3.731 20 0 GHADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(Cl)c2)nc1Cl ZINC001462853933 1070598722 /nfs/dbraw/zinc/59/87/22/1070598722.db2.gz OYOIZCFNNQBMIB-INIZCTEOSA-N -1 3 396.299 3.795 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc2nc(-c3ccccc3)oc2c1 ZINC001258805482 1044772436 /nfs/dbraw/zinc/77/24/36/1044772436.db2.gz VWAIUIXWSHCLTO-UHFFFAOYSA-N -1 3 383.429 3.578 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2Cl)c(OC)c1 ZINC001258953384 1044905224 /nfs/dbraw/zinc/90/52/24/1044905224.db2.gz SFVIPQHKVHUGQF-UHFFFAOYSA-N -1 3 378.837 3.706 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(Cl)nc1Cl)c1cc(F)c(F)cc1F ZINC001259035266 1044928347 /nfs/dbraw/zinc/92/83/47/1044928347.db2.gz VUQISOQCHCDUSS-UHFFFAOYSA-N -1 3 375.130 3.746 20 0 GHADHM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Br)s1 ZINC001259063087 1044943672 /nfs/dbraw/zinc/94/36/72/1044943672.db2.gz QZUSGAYBHFLFAS-NSHDSACASA-N -1 3 392.727 3.610 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1C(F)(F)F)C1CC1)c1ccc(F)c(F)c1 ZINC001259095137 1044958601 /nfs/dbraw/zinc/95/86/01/1044958601.db2.gz NQMZWKXTLVICDK-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3ccc(F)cc3C2)s1 ZINC001295254960 1044967267 /nfs/dbraw/zinc/96/72/67/1044967267.db2.gz QFNKQUZDOZDASU-UHFFFAOYSA-N -1 3 377.441 3.828 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(F)c1)C(F)(F)F)c1cccc2cnccc21 ZINC001259158836 1044983995 /nfs/dbraw/zinc/98/39/95/1044983995.db2.gz GCYNYJUKCLGFLY-MRXNPFEDSA-N -1 3 384.354 3.956 20 0 GHADHM CC1(C)CC(=O)Nc2c([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cccc21 ZINC001259242027 1045037993 /nfs/dbraw/zinc/03/79/93/1045037993.db2.gz FUAQHANCZYDWBX-UHFFFAOYSA-N -1 3 378.881 3.902 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(C)(C)C ZINC001259246051 1045040428 /nfs/dbraw/zinc/04/04/28/1045040428.db2.gz XSHXYOCHHNLJQV-CQSZACIVSA-N -1 3 375.918 3.516 20 0 GHADHM Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)cc1 ZINC001259264917 1045052188 /nfs/dbraw/zinc/05/21/88/1045052188.db2.gz YWSXHSAYBSBZSQ-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2F)CCC(F)(F)CC1)c1ccccn1 ZINC001259293352 1045060707 /nfs/dbraw/zinc/06/07/07/1045060707.db2.gz HTLZFSRNCDEUMN-UHFFFAOYSA-N -1 3 384.423 3.690 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1Br ZINC001259311034 1045070024 /nfs/dbraw/zinc/07/00/24/1045070024.db2.gz BWKAZHDLEGISRX-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(F)cc(F)c3)cs2)cc1 ZINC001259313909 1045073541 /nfs/dbraw/zinc/07/35/41/1045073541.db2.gz VWGCYHQVVWSCAG-UHFFFAOYSA-N -1 3 396.440 3.575 20 0 GHADHM Cc1ccc(OC(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259370384 1045106317 /nfs/dbraw/zinc/10/63/17/1045106317.db2.gz NHEGVSCAENJDMH-UHFFFAOYSA-N -1 3 397.378 3.880 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001295790445 1045140306 /nfs/dbraw/zinc/14/03/06/1045140306.db2.gz DNAMATQWIJIEPM-OLZOCXBDSA-N -1 3 390.505 3.982 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccc(Cl)cc1 ZINC001259472284 1045184667 /nfs/dbraw/zinc/18/46/67/1045184667.db2.gz OFUMGOFYZRZOHI-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Br)c1cccc(Cl)c1F ZINC001259472845 1045184732 /nfs/dbraw/zinc/18/47/32/1045184732.db2.gz CSCDDHRNXXVFCT-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001295972827 1045203609 /nfs/dbraw/zinc/20/36/09/1045203609.db2.gz SMNDQCWTWLVTRV-AWEZNQCLSA-N -1 3 392.228 3.766 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC2CCCC2)c1)c1cc(F)c(F)c(F)c1 ZINC001259503539 1045208012 /nfs/dbraw/zinc/20/80/12/1045208012.db2.gz FCCYYUSYJMQOGM-UHFFFAOYSA-N -1 3 385.407 3.904 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(Cl)ccc2C1)c1cc(F)c(F)c(F)c1 ZINC001259503872 1045208212 /nfs/dbraw/zinc/20/82/12/1045208212.db2.gz SWWYKMGWRLCIIK-LBPRGKRZSA-N -1 3 375.799 3.593 20 0 GHADHM O=S(=O)([N-]CCc1ccsc1Br)c1ccc(Cl)cc1F ZINC001259515583 1045216312 /nfs/dbraw/zinc/21/63/12/1045216312.db2.gz LPRZTBDEUSSMBE-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(F)cc(F)cc21)c1ccc(Cl)cc1F ZINC001259515586 1045217088 /nfs/dbraw/zinc/21/70/88/1045217088.db2.gz LVNRCLWJANZJML-CYBMUJFWSA-N -1 3 377.771 3.559 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cncc(Br)c2Cl)c1 ZINC001259517042 1045217353 /nfs/dbraw/zinc/21/73/53/1045217353.db2.gz IOYZIRFKSXMKEZ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1)N1CCCCC1 ZINC001259543208 1045226374 /nfs/dbraw/zinc/22/63/74/1045226374.db2.gz JNOHQBAHKXXAQS-UHFFFAOYSA-N -1 3 399.516 3.994 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccncc2C(F)(F)F)C2CC2)c1 ZINC001259641334 1045255522 /nfs/dbraw/zinc/25/55/22/1045255522.db2.gz QBGGRVIENRSZSS-MRXNPFEDSA-N -1 3 388.386 3.978 20 0 GHADHM COc1cc(Br)cc(C)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC001259737962 1045280070 /nfs/dbraw/zinc/28/00/70/1045280070.db2.gz HBXOPNZZCMIDID-UHFFFAOYSA-N -1 3 384.295 3.751 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1cccc2c(Br)cncc12 ZINC001259738634 1045280781 /nfs/dbraw/zinc/28/07/81/1045280781.db2.gz LLEWYXLBNVDBER-UHFFFAOYSA-N -1 3 391.290 3.982 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])C12CC(C(F)(F)F)(C1)C2 ZINC001296291979 1045296602 /nfs/dbraw/zinc/29/66/02/1045296602.db2.gz XSFCTDBZEAYPOO-UHFFFAOYSA-N -1 3 397.134 3.668 20 0 GHADHM CC(C)(C)OC(=O)n1cnc2ccc([N-]S(=O)(=O)CCC(F)(F)F)cc21 ZINC001259873852 1045326989 /nfs/dbraw/zinc/32/69/89/1045326989.db2.gz IMLUARBQQSEONY-UHFFFAOYSA-N -1 3 393.387 3.514 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cnc2ccccc2c1 ZINC001260013732 1045355741 /nfs/dbraw/zinc/35/57/41/1045355741.db2.gz LJLQHFFYHFPZQV-INIZCTEOSA-N -1 3 384.354 3.956 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C)c2cnccc21 ZINC001260094552 1045381648 /nfs/dbraw/zinc/38/16/48/1045381648.db2.gz YKFBCNPPLNTEQD-UHFFFAOYSA-N -1 3 390.848 3.784 20 0 GHADHM O=S(=O)([N-]c1ccnc(Cl)c1F)c1ccc(Oc2ccccn2)cc1 ZINC001260140088 1045393876 /nfs/dbraw/zinc/39/38/76/1045393876.db2.gz CLFWIHCOIJQNRM-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM Cc1cc(CO)cc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)c1 ZINC001260246952 1045426655 /nfs/dbraw/zinc/42/66/55/1045426655.db2.gz FBFQLIRNUFSCND-UHFFFAOYSA-N -1 3 389.517 3.927 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c1Br ZINC001260296650 1045449631 /nfs/dbraw/zinc/44/96/31/1045449631.db2.gz BQJGEFIYFXWWMS-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM COC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001260314232 1045455192 /nfs/dbraw/zinc/45/51/92/1045455192.db2.gz JQJTTYVHYMQHLM-UHFFFAOYSA-N -1 3 392.235 3.649 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1F ZINC001260381249 1045484163 /nfs/dbraw/zinc/48/41/63/1045484163.db2.gz STNPNJBDOIXYPB-JSGCOSHPSA-N -1 3 388.233 3.562 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1ncc(F)cn1 ZINC001260433610 1045494588 /nfs/dbraw/zinc/49/45/88/1045494588.db2.gz CNROSIGUYQONRC-ZCFIWIBFSA-N -1 3 384.647 3.615 20 0 GHADHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)n1 ZINC001260434591 1045495584 /nfs/dbraw/zinc/49/55/84/1045495584.db2.gz KYSRWSYRNFUVEO-UHFFFAOYSA-N -1 3 395.695 3.919 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](O)CCC2 ZINC001260462881 1045503733 /nfs/dbraw/zinc/50/37/33/1045503733.db2.gz OWOLOSIQEFFSGK-MRXNPFEDSA-N -1 3 396.306 3.928 20 0 GHADHM COc1cc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C2CC2)ccn1 ZINC001260474415 1045509837 /nfs/dbraw/zinc/50/98/37/1045509837.db2.gz KLHBQKOCNGCOCP-ZDUSSCGKSA-N -1 3 393.317 3.888 20 0 GHADHM O=S(=O)([N-]c1ccnc2c1CCC2)c1c(Cl)cc(Cl)cc1Cl ZINC001260554042 1045541127 /nfs/dbraw/zinc/54/11/27/1045541127.db2.gz JDAACJCEMQBXRX-UHFFFAOYSA-N -1 3 377.680 3.753 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2C)cc1 ZINC001260577282 1045564646 /nfs/dbraw/zinc/56/46/46/1045564646.db2.gz KNVGKZMXCSXIAI-UHFFFAOYSA-N -1 3 377.462 3.761 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)Cc2ccccc2F)cc1Br ZINC001260627784 1045579313 /nfs/dbraw/zinc/57/93/13/1045579313.db2.gz XHEPBPCWWWLLIB-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc2ccc(F)cc2s1 ZINC001297605941 1045586209 /nfs/dbraw/zinc/58/62/09/1045586209.db2.gz DZABJNVQEGUABD-MNOVXSKESA-N -1 3 387.436 3.534 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001297613324 1045588887 /nfs/dbraw/zinc/58/88/87/1045588887.db2.gz MQNJRIZVTAMKNY-FZKQIMNGSA-N -1 3 392.908 3.935 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)c(Br)c1 ZINC001260651873 1045592719 /nfs/dbraw/zinc/59/27/19/1045592719.db2.gz QVGGMFUFMUYGNR-UHFFFAOYSA-N -1 3 388.258 3.960 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCCC2)cc1F ZINC001260662472 1045598027 /nfs/dbraw/zinc/59/80/27/1045598027.db2.gz HNVMTTOOCMMWQL-UHFFFAOYSA-N -1 3 382.432 3.765 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2C)cc1F ZINC001260662779 1045598204 /nfs/dbraw/zinc/59/82/04/1045598204.db2.gz UTNYZWSKAIIGAZ-UHFFFAOYSA-N -1 3 378.469 3.934 20 0 GHADHM COc1cc(OC)cc(Oc2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2)c1 ZINC001297797995 1045624080 /nfs/dbraw/zinc/62/40/80/1045624080.db2.gz XUBQBRLAYBZNIP-UHFFFAOYSA-N -1 3 395.411 3.837 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(F)c1 ZINC001260855076 1045716717 /nfs/dbraw/zinc/71/67/17/1045716717.db2.gz KGBKEBXKDJDNKC-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nc1C ZINC001260890185 1045745509 /nfs/dbraw/zinc/74/55/09/1045745509.db2.gz BKQGRGILIJAVKZ-UHFFFAOYSA-N -1 3 379.791 3.708 20 0 GHADHM O=C(Cc1cc(Cl)ccc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298306265 1045767745 /nfs/dbraw/zinc/76/77/45/1045767745.db2.gz CUNZEWGTZXJXBX-UHFFFAOYSA-N -1 3 380.629 3.866 20 0 GHADHM COc1ccc(S(=O)(=O)Nc2cccc([O-])c2Br)cc1Cl ZINC001260973876 1045791489 /nfs/dbraw/zinc/79/14/89/1045791489.db2.gz PYGBBAIYBJQSPL-UHFFFAOYSA-N -1 3 392.658 3.618 20 0 GHADHM O=S(=O)([N-]c1c(O)cccc1Br)c1ccc2c(c1)CCCC2 ZINC001260982353 1045796842 /nfs/dbraw/zinc/79/68/42/1045796842.db2.gz JFOJSBHXZKKNSK-UHFFFAOYSA-N -1 3 382.279 3.834 20 0 GHADHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462972950 1070701159 /nfs/dbraw/zinc/70/11/59/1070701159.db2.gz BREFAUBPVFRLRB-NXEZZACHSA-N -1 3 381.723 3.602 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)N1CCc2ccccc21 ZINC001298514013 1045846078 /nfs/dbraw/zinc/84/60/78/1045846078.db2.gz RGJXBGONLDFNMS-LBPRGKRZSA-N -1 3 375.266 3.853 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001462987934 1070711520 /nfs/dbraw/zinc/71/15/20/1070711520.db2.gz IIECKTDZFQYRSR-UONOGXRCSA-N -1 3 385.501 3.743 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Cl)cc1Br ZINC001261035666 1045857050 /nfs/dbraw/zinc/85/70/50/1045857050.db2.gz NDBYLCPRFYGCDB-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)ccc1C ZINC001261064830 1045883068 /nfs/dbraw/zinc/88/30/68/1045883068.db2.gz BESXLFFZGYLMTA-NSHDSACASA-N -1 3 387.910 3.844 20 0 GHADHM COc1ncc(S(=O)(=O)[N-][C@H](c2ccc(CC(C)C)cc2)C2CC2)s1 ZINC001462983806 1070708153 /nfs/dbraw/zinc/70/81/53/1070708153.db2.gz NAEPOYBYPVSDFP-QGZVFWFLSA-N -1 3 380.535 3.780 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(C)(C)C)c(F)c1 ZINC001462992889 1070715318 /nfs/dbraw/zinc/71/53/18/1070715318.db2.gz UXGMFJLORLFPNS-GJZGRUSLSA-N -1 3 385.501 3.743 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(C)(C)C)c(F)c1 ZINC001462992892 1070715528 /nfs/dbraw/zinc/71/55/28/1070715528.db2.gz UXGMFJLORLFPNS-LSDHHAIUSA-N -1 3 385.501 3.743 20 0 GHADHM COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001298744837 1045937001 /nfs/dbraw/zinc/93/70/01/1045937001.db2.gz UZXWMXHJBDPQQS-UHFFFAOYSA-N -1 3 377.400 3.994 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC001298879473 1045974010 /nfs/dbraw/zinc/97/40/10/1045974010.db2.gz GFMCOAITOXKKPL-UHFFFAOYSA-N -1 3 389.249 3.617 20 0 GHADHM CC1(C)CN(C(=O)c2cc(F)cc3n[n-]nc32)c2cc(Br)ccc21 ZINC001300936307 1046249625 /nfs/dbraw/zinc/24/96/25/1046249625.db2.gz UVCTXJSLGWCEDN-UHFFFAOYSA-N -1 3 389.228 3.798 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2COC(C)(C)C)c([O-])c1 ZINC001303790004 1047512956 /nfs/dbraw/zinc/51/29/56/1047512956.db2.gz GSYULEHZEZIKMD-UHFFFAOYSA-N -1 3 384.476 3.774 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)o2)cc1 ZINC001304101315 1047586918 /nfs/dbraw/zinc/58/69/18/1047586918.db2.gz MFPUDXOPXHCDDY-UHFFFAOYSA-N -1 3 382.420 3.510 20 0 GHADHM Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)o2)cc1 ZINC001304101315 1047586923 /nfs/dbraw/zinc/58/69/23/1047586923.db2.gz MFPUDXOPXHCDDY-UHFFFAOYSA-N -1 3 382.420 3.510 20 0 GHADHM C[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1nc(C(F)(F)F)n[n-]1 ZINC001304130700 1047595332 /nfs/dbraw/zinc/59/53/32/1047595332.db2.gz BQUOYMYGXZVFBF-SECBINFHSA-N -1 3 385.777 3.699 20 0 GHADHM C[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304131551 1047595395 /nfs/dbraw/zinc/59/53/95/1047595395.db2.gz JPQRELJPPKMYOI-RISCZKNCSA-N -1 3 382.386 3.701 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)ccc2c1 ZINC001304133460 1047595826 /nfs/dbraw/zinc/59/58/26/1047595826.db2.gz WROBNZVIPBUXPF-VUQUXZKVSA-N -1 3 390.365 3.876 20 0 GHADHM C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001304132364 1047595989 /nfs/dbraw/zinc/59/59/89/1047595989.db2.gz OQNQRIWJHHNOAK-GFCCVEGCSA-N -1 3 396.413 3.739 20 0 GHADHM CCCOc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1OCC ZINC001304132457 1047596010 /nfs/dbraw/zinc/59/60/10/1047596010.db2.gz RSYVOPMDWOFBOE-JTQLQIEISA-N -1 3 386.374 3.502 20 0 GHADHM O=C([N-][C@H]1C[C@@]1(F)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001299747539 1047695448 /nfs/dbraw/zinc/69/54/48/1047695448.db2.gz AVLAFCFORMQOTK-SWLSCSKDSA-N -1 3 385.183 3.689 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1c(F)cccc1F ZINC001304565434 1047714042 /nfs/dbraw/zinc/71/40/42/1047714042.db2.gz HNFYFRSIKGDIHU-GFCCVEGCSA-N -1 3 385.370 3.787 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1c(F)cccc1F ZINC001304565434 1047714044 /nfs/dbraw/zinc/71/40/44/1047714044.db2.gz HNFYFRSIKGDIHU-GFCCVEGCSA-N -1 3 385.370 3.787 20 0 GHADHM COc1cccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1Cl ZINC001304567530 1047715466 /nfs/dbraw/zinc/71/54/66/1047715466.db2.gz KUHGXWPEMHMTLO-UHFFFAOYSA-N -1 3 399.834 3.610 20 0 GHADHM COc1cccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1Cl ZINC001304567530 1047715468 /nfs/dbraw/zinc/71/54/68/1047715468.db2.gz KUHGXWPEMHMTLO-UHFFFAOYSA-N -1 3 399.834 3.610 20 0 GHADHM COC(=O)Nc1ccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001305447588 1048059938 /nfs/dbraw/zinc/05/99/38/1048059938.db2.gz YEQBITYHNIPJCJ-UHFFFAOYSA-N -1 3 397.460 3.836 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(C)occ3C(F)(F)F)nc21 ZINC001463316710 1070983628 /nfs/dbraw/zinc/98/36/28/1070983628.db2.gz VERBPCPPLJSLRO-UHFFFAOYSA-N -1 3 381.310 3.912 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)c[n-]c12 ZINC001306438964 1048665934 /nfs/dbraw/zinc/66/59/34/1048665934.db2.gz LFDXJVIYZLBZBG-IYBDPMFKSA-N -1 3 391.471 3.702 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC001306864124 1048933251 /nfs/dbraw/zinc/93/32/51/1048933251.db2.gz IURURLHZLXSJBZ-QGZVFWFLSA-N -1 3 396.491 3.972 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001288088442 1048980181 /nfs/dbraw/zinc/98/01/81/1048980181.db2.gz NUFNXVFSRPOMID-UTCJRWHESA-N -1 3 383.757 3.847 20 0 GHADHM COC(=O)c1sc2[n-]c(CSc3nc(C(C)(C)C)co3)nc(=O)c2c1C ZINC001307407213 1049251598 /nfs/dbraw/zinc/25/15/98/1049251598.db2.gz BFLDLXDEZHGWIE-UHFFFAOYSA-N -1 3 393.490 3.657 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3ccc(OC(F)F)cc3)CC2)cc1Cl ZINC001308011291 1049760987 /nfs/dbraw/zinc/76/09/87/1049760987.db2.gz DKMOEOIBRSOTCX-UHFFFAOYSA-N -1 3 382.838 3.965 20 0 GHADHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001308023549 1049775450 /nfs/dbraw/zinc/77/54/50/1049775450.db2.gz ZSALIAQWUXBFCF-HXUWFJFHSA-N -1 3 392.421 3.909 20 0 GHADHM CC(=O)c1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1[O-] ZINC001290356737 1049813837 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389.464 3.779 20 0 GHADHM O=S(=O)([N-]CC1(CO)CCCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001309267734 1050538614 /nfs/dbraw/zinc/53/86/14/1050538614.db2.gz SCKMVSWNBHTJNH-UHFFFAOYSA-N -1 3 385.835 3.580 20 0 GHADHM CC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)CC1 ZINC001328716408 1050604824 /nfs/dbraw/zinc/60/48/24/1050604824.db2.gz STWAZBUDVHVBKO-UHFFFAOYSA-N -1 3 382.844 3.562 20 0 GHADHM CCOc1cccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)c1 ZINC001309353584 1050627413 /nfs/dbraw/zinc/62/74/13/1050627413.db2.gz NUAHUCXESFIVMF-KRWDZBQOSA-N -1 3 387.423 3.927 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2C(C)C)c1 ZINC001309384006 1050664510 /nfs/dbraw/zinc/66/45/10/1050664510.db2.gz DYMIQZJFMRRKGQ-QAPCUYQASA-N -1 3 393.530 3.773 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCCC1)c1ccccc1)c1sccc1Cl ZINC001309402280 1050683243 /nfs/dbraw/zinc/68/32/43/1050683243.db2.gz DDGLSUVBKLNEGI-MRXNPFEDSA-N -1 3 384.954 3.907 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CSC2(C)C)c(Br)c1 ZINC001309431868 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ZINC001309797702 1050978716 /nfs/dbraw/zinc/97/87/16/1050978716.db2.gz ODVITZOAJMQOTQ-NSHDSACASA-N -1 3 383.819 3.739 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc(Cl)ccc1C(F)(F)F ZINC001309821503 1050989271 /nfs/dbraw/zinc/98/92/71/1050989271.db2.gz HRXFIDYVTZHYSA-GAFUQQFSSA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001309821946 1050990282 /nfs/dbraw/zinc/99/02/82/1050990282.db2.gz JWZXIGWOVZUGJH-QEJZJMRPSA-N -1 3 398.937 3.699 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1nc(C(F)(F)F)n[n-]1 ZINC001310360297 1051307403 /nfs/dbraw/zinc/30/74/03/1051307403.db2.gz ZIAJNSMKUNDHHL-QMMMGPOBSA-N -1 3 382.371 3.830 20 0 GHADHM Cc1cc(C(C)(C)NC(=O)CCc2c(C)nc[n-]c2=O)ccc1Br ZINC001332711026 1051562922 /nfs/dbraw/zinc/56/29/22/1051562922.db2.gz XLYCSFIPJNNAEX-UHFFFAOYSA-N -1 3 392.297 3.546 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2cncc(Cl)c2)c1Cl ZINC001475421168 1051927488 /nfs/dbraw/zinc/92/74/88/1051927488.db2.gz SSUIAGVMGDROEO-UHFFFAOYSA-N -1 3 395.695 3.708 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001342563021 1053240991 /nfs/dbraw/zinc/24/09/91/1053240991.db2.gz MHWJXSFJQLWNQB-MRXNPFEDSA-N -1 3 384.871 3.764 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1 ZINC001318133443 1054439183 /nfs/dbraw/zinc/43/91/83/1054439183.db2.gz RLGHYCTYGZEXLV-UHFFFAOYSA-N -1 3 388.420 3.594 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc2ccccc2n1-c1ccccc1F ZINC001318784446 1054872703 /nfs/dbraw/zinc/87/27/03/1054872703.db2.gz KDAAJVVXANARSL-UHFFFAOYSA-N -1 3 391.406 3.540 20 0 GHADHM CC[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC001345075536 1054888585 /nfs/dbraw/zinc/88/85/85/1054888585.db2.gz WJYCDIWYCQUTME-GBXCKJPGSA-N -1 3 394.515 3.806 20 0 GHADHM Cc1cccc(NC[C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC001319390380 1055221898 /nfs/dbraw/zinc/22/18/98/1055221898.db2.gz YWUQSTSQAIQBFL-HNNXBMFYSA-N -1 3 389.459 3.862 20 0 GHADHM CCCCS(=O)(=O)[N-]Cc1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 ZINC001345741349 1055235900 /nfs/dbraw/zinc/23/59/00/1055235900.db2.gz WDDMYCDDVIIYAP-AWEZNQCLSA-N -1 3 389.477 3.582 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Nc3cccc(SC)c3)cn2)[n-]1 ZINC001300453336 1056144788 /nfs/dbraw/zinc/14/47/88/1056144788.db2.gz DGBNRVQOPQUBBL-UHFFFAOYSA-N -1 3 382.445 3.914 20 0 GHADHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1sc2cc(F)ccc2c1Cl ZINC001322201055 1056567671 /nfs/dbraw/zinc/56/76/71/1056567671.db2.gz YCXXRFWNZCXQMR-UHFFFAOYSA-N -1 3 387.827 3.981 20 0 GHADHM O=C([N-]c1nnc2ccc(Cl)nn21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001354428280 1056642934 /nfs/dbraw/zinc/64/29/34/1056642934.db2.gz LEFOFZSEVXYJQA-UHFFFAOYSA-N -1 3 392.580 3.815 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cnc(F)c(Br)c1 ZINC001354648767 1056857450 /nfs/dbraw/zinc/85/74/50/1056857450.db2.gz DEMALSKCIQRWLH-UHFFFAOYSA-N -1 3 379.214 3.754 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1Br ZINC001323634765 1056993706 /nfs/dbraw/zinc/99/37/06/1056993706.db2.gz JRLSUCMLPXPWKX-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001355033301 1057026707 /nfs/dbraw/zinc/02/67/07/1057026707.db2.gz CKDNVGGQHHWZMX-FPLPWBNLSA-N -1 3 391.353 3.812 20 0 GHADHM CCCOc1nc2ccccc2cc1C=CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001355033301 1057026711 /nfs/dbraw/zinc/02/67/11/1057026711.db2.gz CKDNVGGQHHWZMX-FPLPWBNLSA-N -1 3 391.353 3.812 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2occc21)c1ccc(C(F)(F)F)nc1Cl ZINC001324497120 1057149195 /nfs/dbraw/zinc/14/91/95/1057149195.db2.gz AVMJPWZBEQUTMR-VIFPVBQESA-N -1 3 380.775 3.703 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3COc4cc(F)ccc4C3)c2)n1 ZINC001355462510 1057171246 /nfs/dbraw/zinc/17/12/46/1057171246.db2.gz YJSFZCGUPYGOND-HNNXBMFYSA-N -1 3 393.418 3.741 20 0 GHADHM Cc1nc(Br)sc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC001355521638 1057194650 /nfs/dbraw/zinc/19/46/50/1057194650.db2.gz CYPTWRZFVKFQHA-UHFFFAOYSA-N -1 3 398.673 3.905 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc3nnc(C(F)F)n3c2)c(F)c1F ZINC001325505807 1057336013 /nfs/dbraw/zinc/33/60/13/1057336013.db2.gz GXWBUYWHPGOLCF-UHFFFAOYSA-N -1 3 384.264 3.539 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC001356279393 1057457896 /nfs/dbraw/zinc/45/78/96/1057457896.db2.gz XKBXGNDJXTTXLS-UHFFFAOYSA-N -1 3 389.855 3.906 20 0 GHADHM CCC(C)(C)[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC001326569570 1057513629 /nfs/dbraw/zinc/51/36/29/1057513629.db2.gz BDVGKVFILBWLIT-NSHDSACASA-N -1 3 394.107 3.586 20 0 GHADHM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001439513341 1058201844 /nfs/dbraw/zinc/20/18/44/1058201844.db2.gz TWKQPDMNLXOARA-UHFFFAOYSA-N -1 3 380.433 3.510 20 0 GHADHM COc1ccccc1[C@H](CNC(=O)c1ncc2ccccc2c1[O-])N1CCCC1 ZINC001440394049 1058512603 /nfs/dbraw/zinc/51/26/03/1058512603.db2.gz YJRLZYMXGCGYMR-IBGZPJMESA-N -1 3 391.471 3.516 20 0 GHADHM CCc1ccc([C@H](CNC(=O)c2cccc(Br)c2[O-])N(C)C)cc1 ZINC001440674697 1058575103 /nfs/dbraw/zinc/57/51/03/1058575103.db2.gz UAQDHILZPPUTDA-KRWDZBQOSA-N -1 3 391.309 3.750 20 0 GHADHM O=C(NCc1ccc2c(c1)OCCO2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001441042536 1058686023 /nfs/dbraw/zinc/68/60/23/1058686023.db2.gz ZOYLWWFWALVAMI-UHFFFAOYSA-N -1 3 375.424 3.684 20 0 GHADHM O=C(NCc1ccc(OC2CCCC2)nc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001441670849 1058837404 /nfs/dbraw/zinc/83/74/04/1058837404.db2.gz KFAFEUFLKQSYEB-UHFFFAOYSA-N -1 3 397.862 3.828 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc(-c3ccccc3)cs2)c1 ZINC001441714536 1058851063 /nfs/dbraw/zinc/85/10/63/1058851063.db2.gz VQKUWIXPGWDEJE-UHFFFAOYSA-N -1 3 379.441 3.570 20 0 GHADHM O=C(Nc1ccc(-c2csnn2)cc1)c1cc([O-])cc(Br)c1 ZINC001442076852 1058912723 /nfs/dbraw/zinc/91/27/23/1058912723.db2.gz BKXDBMIZPKXUFP-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001442296334 1058944766 /nfs/dbraw/zinc/94/47/66/1058944766.db2.gz SZQPOAXPRWGVGC-HNNXBMFYSA-N -1 3 398.846 3.992 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cnc(C2CC2)[n-]c1=O ZINC001442768896 1059005943 /nfs/dbraw/zinc/00/59/43/1059005943.db2.gz OKOFYHZOCDXVDN-UHFFFAOYSA-N -1 3 396.834 3.939 20 0 GHADHM CC[C@@H]1CN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)CC[C@@H]1c1ccccc1 ZINC001339362733 1059143017 /nfs/dbraw/zinc/14/30/17/1059143017.db2.gz FJICFRUDKBDURK-AEFFLSMTSA-N -1 3 392.507 3.789 20 0 GHADHM COCCN(CCOc1ccc(F)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC001443929350 1059236884 /nfs/dbraw/zinc/23/68/84/1059236884.db2.gz BFDMWKODVYIPDQ-UHFFFAOYSA-N -1 3 389.448 3.914 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001339549764 1059293780 /nfs/dbraw/zinc/29/37/80/1059293780.db2.gz PUBMGDLJVPKVCE-LBPRGKRZSA-N -1 3 396.476 3.652 20 0 GHADHM CS[C@@H]1CC[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC001339556111 1059298485 /nfs/dbraw/zinc/29/84/85/1059298485.db2.gz SKKNSFXXKYUFRQ-NWDGAFQWSA-N -1 3 395.322 3.647 20 0 GHADHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cnc(C2CC2)[n-]c1=O ZINC001445072087 1059452785 /nfs/dbraw/zinc/45/27/85/1059452785.db2.gz DMOHTRWRSLDKRS-UHFFFAOYSA-N -1 3 396.834 3.939 20 0 GHADHM O=C(Nc1cncnc1N1CCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001445658610 1059588889 /nfs/dbraw/zinc/58/88/89/1059588889.db2.gz WKYQLQDMQAWDIY-UHFFFAOYSA-N -1 3 376.416 3.827 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c([O-])c1 ZINC001447065302 1059925337 /nfs/dbraw/zinc/92/53/37/1059925337.db2.gz XVZOPQKNRIERSA-UHFFFAOYSA-N -1 3 376.412 3.858 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1c(C(F)F)nc2ccccn21 ZINC001447275074 1059942489 /nfs/dbraw/zinc/94/24/89/1059942489.db2.gz DQDRXENRPPRGDQ-UHFFFAOYSA-N -1 3 382.164 3.992 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1ncccc1[O-] ZINC001447602436 1059986015 /nfs/dbraw/zinc/98/60/15/1059986015.db2.gz HWQZZBMNHTTZFP-DZKIICNBSA-N -1 3 375.469 3.542 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC001546000083 1060020350 /nfs/dbraw/zinc/02/03/50/1060020350.db2.gz AFWRPSFQDZXELX-GDBMZVCRSA-N -1 3 392.814 3.733 20 0 GHADHM COc1ccccc1CO[N-]C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001448597991 1060226241 /nfs/dbraw/zinc/22/62/41/1060226241.db2.gz YECJCCOPACVRQH-GOSISDBHSA-N -1 3 382.504 3.586 20 0 GHADHM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC001448903663 1060294181 /nfs/dbraw/zinc/29/41/81/1060294181.db2.gz GKNRZJIYUVPECD-LBPRGKRZSA-N -1 3 393.256 3.645 20 0 GHADHM CCc1cccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1[O-] ZINC001449401523 1060397623 /nfs/dbraw/zinc/39/76/23/1060397623.db2.gz BGWNUCOJPJUEOI-INIZCTEOSA-N -1 3 375.266 3.993 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)NC2(c3ccc(Cl)cc3)CCC2)c([O-])c1 ZINC001449414635 1060400779 /nfs/dbraw/zinc/40/07/79/1060400779.db2.gz QATVRNCBAHWTBZ-UHFFFAOYSA-N -1 3 386.879 3.670 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001450920512 1060717594 /nfs/dbraw/zinc/71/75/94/1060717594.db2.gz OGHMZUAIIIRSCP-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM C[C@@H](CC(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001450920512 1060717607 /nfs/dbraw/zinc/71/76/07/1060717607.db2.gz OGHMZUAIIIRSCP-LBPRGKRZSA-N -1 3 389.381 3.942 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001341539938 1060736634 /nfs/dbraw/zinc/73/66/34/1060736634.db2.gz NUPCYFIYQUKXSO-WBVHZDCISA-N -1 3 393.409 3.895 20 0 GHADHM COC(=O)c1cnc([C@@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC001451874253 1060854755 /nfs/dbraw/zinc/85/47/55/1060854755.db2.gz YCULUJKKJQVZBV-GFCCVEGCSA-N -1 3 398.440 3.919 20 0 GHADHM O=C(c1cc2ccc(Br)cc2s1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452723928 1060994055 /nfs/dbraw/zinc/99/40/55/1060994055.db2.gz ZSLLDGDYQVURMN-SNVBAGLBSA-N -1 3 392.278 3.722 20 0 GHADHM CC(C)c1n[nH]c(CC2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)CC2)n1 ZINC001452732708 1060996618 /nfs/dbraw/zinc/99/66/18/1060996618.db2.gz DJLHFHDVZLMGES-UHFFFAOYSA-N -1 3 396.413 3.747 20 0 GHADHM CC(C)c1nc(CC2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)CC2)n[nH]1 ZINC001452732708 1060996620 /nfs/dbraw/zinc/99/66/20/1060996620.db2.gz DJLHFHDVZLMGES-UHFFFAOYSA-N -1 3 396.413 3.747 20 0 GHADHM O=C([N-]N1Cc2ccc(Br)cc2C1=O)c1ccc(Cl)cc1F ZINC001453617722 1061169761 /nfs/dbraw/zinc/16/97/61/1061169761.db2.gz KGTIYXOSGWBNCN-UHFFFAOYSA-N -1 3 383.604 3.542 20 0 GHADHM C[C@@H]1OCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1C(F)(F)F ZINC001453739006 1061192344 /nfs/dbraw/zinc/19/23/44/1061192344.db2.gz SGFPBHLLECOSHK-SJCJKPOMSA-N -1 3 381.350 3.976 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c1 ZINC001346462686 1061579891 /nfs/dbraw/zinc/57/98/91/1061579891.db2.gz YWZHAKPVJDNRSU-UHFFFAOYSA-N -1 3 386.492 3.717 20 0 GHADHM O=C(NC[C@H](CO)c1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001545718518 1061968028 /nfs/dbraw/zinc/96/80/28/1061968028.db2.gz KAKUFYMRTPVNKK-OAQYLSRUSA-N -1 3 375.468 3.683 20 0 GHADHM CN(C)c1cc(NC(=O)c2nnc3ccccc3c2[O-])cc(C(F)(F)F)c1 ZINC001456131536 1062501694 /nfs/dbraw/zinc/50/16/94/1062501694.db2.gz DGZLUMQPCFBYOB-UHFFFAOYSA-N -1 3 376.338 3.673 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456383679 1062650883 /nfs/dbraw/zinc/65/08/83/1062650883.db2.gz LPNLDTWOBLELTJ-HTQZYQBOSA-N -1 3 378.807 3.835 20 0 GHADHM Cn1cc(-c2csc([N-]C(=O)c3cc(-c4c(F)cccc4F)no3)n2)cn1 ZINC001456529361 1062734360 /nfs/dbraw/zinc/73/43/60/1062734360.db2.gz MVYHGZAQOJOBTH-UHFFFAOYSA-N -1 3 387.371 3.729 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001456613707 1062780901 /nfs/dbraw/zinc/78/09/01/1062780901.db2.gz AINOFNHYQNSCAR-UONOGXRCSA-N -1 3 394.537 3.737 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@H](C)c3ccc4c(c3)OCO4)n[n-]2)cc1 ZINC001457163236 1062994015 /nfs/dbraw/zinc/99/40/15/1062994015.db2.gz DXALQPXDANBOAC-CYBMUJFWSA-N -1 3 396.472 3.876 20 0 GHADHM CC(C)n1cc(Br)c(C(=O)[N-]c2nnc(-c3ccccc3)s2)n1 ZINC001348796595 1063331125 /nfs/dbraw/zinc/33/11/25/1063331125.db2.gz XWUUYLNXRXAUDF-UHFFFAOYSA-N -1 3 392.282 3.997 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cnn1-c1ccc(F)cc1 ZINC001457930913 1063449088 /nfs/dbraw/zinc/44/90/88/1063449088.db2.gz UHGUISVKIKWLES-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccc(F)c4)CCCC3)nc21 ZINC001458166570 1063623580 /nfs/dbraw/zinc/62/35/80/1063623580.db2.gz DGIIALYMPHXWCL-UHFFFAOYSA-N -1 3 381.407 3.939 20 0 GHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(C(F)(F)F)ncn1 ZINC001458182769 1063636241 /nfs/dbraw/zinc/63/62/41/1063636241.db2.gz ALKBQMAODRFUKK-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@@]1(F)Cl ZINC001349565185 1063793972 /nfs/dbraw/zinc/79/39/72/1063793972.db2.gz YZUAXLVMRIGQQO-MNOVXSKESA-N -1 3 395.205 3.737 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1cc(-c2cccc(Cl)c2)ncn1 ZINC001458458822 1063822506 /nfs/dbraw/zinc/82/25/06/1063822506.db2.gz ZQACEBGQZRNVKF-OLZOCXBDSA-N -1 3 397.866 3.973 20 0 GHADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001459650435 1064154953 /nfs/dbraw/zinc/15/49/53/1064154953.db2.gz HMCGZQQLVYWUEQ-UHFFFAOYSA-N -1 3 380.395 3.957 20 0 GHADHM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001351073481 1064256693 /nfs/dbraw/zinc/25/66/93/1064256693.db2.gz DKRVEQTWBDLBLJ-AWEZNQCLSA-N -1 3 387.461 3.960 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(Br)cc1F ZINC001463370290 1064289856 /nfs/dbraw/zinc/28/98/56/1064289856.db2.gz JMBLDIIQGPDTDI-XOKHGSTOSA-N -1 3 396.281 3.595 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCCC1)c1ccc2ccccc2c1 ZINC001463396964 1064311291 /nfs/dbraw/zinc/31/12/91/1064311291.db2.gz SULCRQWKPVWIPC-IBGZPJMESA-N -1 3 375.490 3.554 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001463419113 1064332916 /nfs/dbraw/zinc/33/29/16/1064332916.db2.gz BECQYFGHWGDCAJ-PIGZYNQJSA-N -1 3 389.851 3.981 20 0 GHADHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[C@@H](C)[C@H]1OC ZINC001463425150 1064338589 /nfs/dbraw/zinc/33/85/89/1064338589.db2.gz CKJFNPBRHMKJQS-KBRIMQKVSA-N -1 3 394.562 3.928 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC001463534829 1064444019 /nfs/dbraw/zinc/44/40/19/1064444019.db2.gz AVSYSQAXRPCSKN-UHFFFAOYSA-N -1 3 378.441 3.726 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001463537068 1064445503 /nfs/dbraw/zinc/44/55/03/1064445503.db2.gz AOEGEQLGXZSZNK-ZIAGYGMSSA-N -1 3 385.501 3.886 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1c2ncsc2ccc1Cl ZINC001463630127 1064513276 /nfs/dbraw/zinc/51/32/76/1064513276.db2.gz CRLLLMDLUJGPHF-UHFFFAOYSA-N -1 3 384.885 4.000 20 0 GHADHM CC(C)(C)CC[C@H]([N-]S(=O)(=O)CC=C(Cl)Cl)C(=O)OC(C)(C)C ZINC001463722073 1064569504 /nfs/dbraw/zinc/56/95/04/1064569504.db2.gz GFMBFTBYFYKOSJ-NSHDSACASA-N -1 3 388.357 3.761 20 0 GHADHM CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)OC ZINC001463736709 1064579374 /nfs/dbraw/zinc/57/93/74/1064579374.db2.gz IZBBEMSMAFYBRS-CYBMUJFWSA-N -1 3 384.723 3.504 20 0 GHADHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001463828552 1064654302 /nfs/dbraw/zinc/65/43/02/1064654302.db2.gz JXLZNEUKVFRVCD-UHFFFAOYSA-N -1 3 394.324 3.680 20 0 GHADHM O=S(=O)(CC[C@H]1CCc2ccccc21)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC001463964187 1064742352 /nfs/dbraw/zinc/74/23/52/1064742352.db2.gz JQMHUSOWODKCDG-TZIWHRDSSA-N -1 3 396.512 3.998 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(F)c2ccccc12 ZINC001463970995 1064745264 /nfs/dbraw/zinc/74/52/64/1064745264.db2.gz LDTKLENOFJDORE-UHFFFAOYSA-N -1 3 386.448 3.922 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)C1CCCCCC1 ZINC001463972172 1064745293 /nfs/dbraw/zinc/74/52/93/1064745293.db2.gz CRLJZAPKYIGZHY-HOCLYGCPSA-N -1 3 395.512 3.633 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)s1 ZINC001463998432 1064761151 /nfs/dbraw/zinc/76/11/51/1064761151.db2.gz FETZYPCHGXQVPV-UHFFFAOYSA-N -1 3 385.894 3.546 20 0 GHADHM CN(C)c1c(Cl)cccc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464020093 1064773097 /nfs/dbraw/zinc/77/30/97/1064773097.db2.gz SFRGOWQJOUHPIB-UHFFFAOYSA-N -1 3 377.778 3.778 20 0 GHADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)C1 ZINC001464132401 1064846120 /nfs/dbraw/zinc/84/61/20/1064846120.db2.gz ZEPVYDVZHANUSG-AWEZNQCLSA-N -1 3 386.517 3.718 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(Cl)c1Cl ZINC001464248410 1064925990 /nfs/dbraw/zinc/92/59/90/1064925990.db2.gz RIGLMDXGFHQOGA-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)c2cccc(Br)n2)C1 ZINC001464429024 1065004163 /nfs/dbraw/zinc/00/41/63/1065004163.db2.gz LPRYWHNXTFUGJO-IAQYHMDHSA-N -1 3 375.332 3.727 20 0 GHADHM CCOC1CC2(C[C@H]2[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC001464458096 1065022135 /nfs/dbraw/zinc/02/21/35/1065022135.db2.gz DXPXRYLLBRPWHR-IWXRYERYSA-N -1 3 383.819 3.595 20 0 GHADHM CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001464736209 1065183394 /nfs/dbraw/zinc/18/33/94/1065183394.db2.gz GWVCKBLEPUIOFW-UHFFFAOYSA-N -1 3 381.723 3.601 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(Br)ccc1F ZINC001464814622 1065226613 /nfs/dbraw/zinc/22/66/13/1065226613.db2.gz DTYMUUKHGAYGEF-KBPBESRZSA-N -1 3 398.297 3.745 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1Cc1ccccc1)c1cc2nc(Cl)ncc2s1 ZINC001464821633 1065229762 /nfs/dbraw/zinc/22/97/62/1065229762.db2.gz ULHWAZSHOIMMMZ-STQMWFEESA-N -1 3 393.921 3.502 20 0 GHADHM Cc1ccnc(-c2ccc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cc2)n1 ZINC001465067845 1065367524 /nfs/dbraw/zinc/36/75/24/1065367524.db2.gz CIISBETULJYMQQ-UHFFFAOYSA-N -1 3 392.365 3.824 20 0 GHADHM CCc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC001465123398 1065400272 /nfs/dbraw/zinc/40/02/72/1065400272.db2.gz NVEWPUZVDUQKDO-GOSISDBHSA-N -1 3 384.476 3.950 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cc(F)cc2n[n-]nc21 ZINC001465262019 1065508049 /nfs/dbraw/zinc/50/80/49/1065508049.db2.gz VYWSXTDTUYXJEV-SFHVURJKSA-N -1 3 378.382 3.950 20 0 GHADHM CC(C)c1c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cnn1-c1ccc(Cl)cc1 ZINC001300192953 1065624435 /nfs/dbraw/zinc/62/44/35/1065624435.db2.gz GZFJRLRLMOGJRP-ZDUSSCGKSA-N -1 3 399.882 3.708 20 0 GHADHM O=C(NC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1)c1ccccc1 ZINC001465754360 1065832170 /nfs/dbraw/zinc/83/21/70/1065832170.db2.gz YILFWGKXDUKPLC-OAHLLOKOSA-N -1 3 394.496 3.889 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cnn1-c1ccc(F)cc1 ZINC001300252239 1065841256 /nfs/dbraw/zinc/84/12/56/1065841256.db2.gz KMNDHCXPJCCJLU-UHFFFAOYSA-N -1 3 398.344 3.692 20 0 GHADHM CC(C)Cc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC001465878411 1065908136 /nfs/dbraw/zinc/90/81/36/1065908136.db2.gz MGUBBXZHHHZRLH-OAHLLOKOSA-N -1 3 385.430 3.808 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(ccnc2Cl)o1 ZINC001465960715 1065939232 /nfs/dbraw/zinc/93/92/32/1065939232.db2.gz HIQKCKVTNAOPKX-UHFFFAOYSA-N -1 3 381.613 3.879 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001466632670 1066223639 /nfs/dbraw/zinc/22/36/39/1066223639.db2.gz NFNBAKJUDATUSI-AULYBMBSSA-N -1 3 391.269 3.554 20 0 GHADHM COc1cc(C(=O)Nc2ccc(I)cc2[O-])ccc1C ZINC001466817366 1066334152 /nfs/dbraw/zinc/33/41/52/1066334152.db2.gz AFPANSUANBQADE-UHFFFAOYSA-N -1 3 383.185 3.566 20 0 GHADHM COc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1F ZINC001467351780 1067244099 /nfs/dbraw/zinc/24/40/99/1067244099.db2.gz QMDYCTAKNONZEL-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(CC)c1[O-] ZINC001467568684 1067364178 /nfs/dbraw/zinc/36/41/78/1067364178.db2.gz CVZOXZIICVQSJC-KRWDZBQOSA-N -1 3 375.852 3.512 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCCOc1cccc(Br)c1 ZINC001467570312 1067365018 /nfs/dbraw/zinc/36/50/18/1067365018.db2.gz ZXMRFEHFAFAMGM-UHFFFAOYSA-N -1 3 394.265 3.865 20 0 GHADHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCc2ccc(F)cc21 ZINC001467685271 1067419067 /nfs/dbraw/zinc/41/90/67/1067419067.db2.gz NHSRZYRYLZTWBH-UHFFFAOYSA-N -1 3 392.308 3.769 20 0 GHADHM Cc1nocc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001358188060 1067433345 /nfs/dbraw/zinc/43/33/45/1067433345.db2.gz WFPZNEIUPYYHSW-UHFFFAOYSA-N -1 3 385.445 3.653 20 0 GHADHM CCC[C@@H](CC)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001477700953 1078531922 /nfs/dbraw/zinc/53/19/22/1078531922.db2.gz KZCQOSIPHICACB-ZIAGYGMSSA-N -1 3 385.430 3.947 20 0 GHADHM O=C(Nc1ncc(-c2cccnc2)s1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001467915006 1067525785 /nfs/dbraw/zinc/52/57/85/1067525785.db2.gz IVWLMVJUSFWJOU-UHFFFAOYSA-N -1 3 382.832 3.952 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc3c(=O)[nH]ccc23)s1 ZINC001468027426 1067571303 /nfs/dbraw/zinc/57/13/03/1067571303.db2.gz GGNRXSDLRFZYSU-UHFFFAOYSA-N -1 3 386.433 3.996 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCC(C)(C)C1CC1 ZINC001468389482 1067714790 /nfs/dbraw/zinc/71/47/90/1067714790.db2.gz MGWVFYDAUYMMKS-UHFFFAOYSA-N -1 3 395.459 3.549 20 0 GHADHM CC(C)[C@@H]1N(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC12CCC2 ZINC001468508095 1067755894 /nfs/dbraw/zinc/75/58/94/1067755894.db2.gz UCASAVVPMCXSEY-KRWDZBQOSA-N -1 3 389.293 3.941 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N=S(C)(C)=O)cc3)c[n-]c12 ZINC001468542183 1067765016 /nfs/dbraw/zinc/76/50/16/1067765016.db2.gz TVQCEXALUTZHNP-UHFFFAOYSA-N -1 3 387.436 3.587 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)SCc2nc3ccccc3c(=O)[nH]2)c1[O-] ZINC001468600357 1067786068 /nfs/dbraw/zinc/78/60/68/1067786068.db2.gz ADBMCISYGTXPBQ-GFCCVEGCSA-N -1 3 397.456 3.504 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1)C1CCCC1 ZINC000849307194 1067793643 /nfs/dbraw/zinc/79/36/43/1067793643.db2.gz LMAMCJUKYKEZMA-GOSISDBHSA-N -1 3 398.525 3.838 20 0 GHADHM CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001468791222 1067884553 /nfs/dbraw/zinc/88/45/53/1067884553.db2.gz DQKSILUDXHAVKJ-UHFFFAOYSA-N -1 3 384.476 3.580 20 0 GHADHM O=c1[n-]c(Cn2ccnc2[C@H](O)C2CCCCC2)nc2c3ccccc3oc21 ZINC000849943982 1068011136 /nfs/dbraw/zinc/01/11/36/1068011136.db2.gz OMXOPJVIPZDPNM-GOSISDBHSA-N -1 3 378.432 3.940 20 0 GHADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1nccnc1Sc1ccccc1 ZINC000544086535 1068054047 /nfs/dbraw/zinc/05/40/47/1068054047.db2.gz FRGVHALDSYKOCC-UHFFFAOYSA-N -1 3 382.836 3.576 20 0 GHADHM Cc1c(Br)csc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469326075 1068104294 /nfs/dbraw/zinc/10/42/94/1068104294.db2.gz FJBQMUIYNZYRAI-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM Cc1c(Br)csc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469326075 1068104296 /nfs/dbraw/zinc/10/42/96/1068104296.db2.gz FJBQMUIYNZYRAI-UHFFFAOYSA-N -1 3 386.271 3.750 20 0 GHADHM O=C(Nc1cc2cc[nH]c2cn1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001469642678 1068279149 /nfs/dbraw/zinc/27/91/49/1068279149.db2.gz AXZNMABVKMKYFC-UHFFFAOYSA-N -1 3 388.305 3.555 20 0 GHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@](C)(C(F)F)O1 ZINC001470274716 1068659391 /nfs/dbraw/zinc/65/93/91/1068659391.db2.gz HEUAKHMZXPDADG-QKKBWIMNSA-N -1 3 375.415 3.868 20 0 GHADHM CCC1(CC)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@H](C)[C@H]1OC ZINC001478218232 1078770041 /nfs/dbraw/zinc/77/00/41/1078770041.db2.gz GFWNPEISDGVTMG-IUIKQTSFSA-N -1 3 399.329 3.794 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC001460133502 1068800626 /nfs/dbraw/zinc/80/06/26/1068800626.db2.gz LUOUPQWIRRAJSF-RYUDHWBXSA-N -1 3 394.368 3.539 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCN(c4cccc(F)c4)C[C@H]3C)cc(=O)oc12 ZINC001460180518 1068838375 /nfs/dbraw/zinc/83/83/75/1068838375.db2.gz UBEWKUXZTPONRI-CQSZACIVSA-N -1 3 382.435 3.657 20 0 GHADHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)o1 ZINC001470634176 1072658257 /nfs/dbraw/zinc/65/82/57/1072658257.db2.gz QWGSMGIVDVLXKD-UHFFFAOYSA-N -1 3 398.484 3.936 20 0 GHADHM C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001470873509 1072782668 /nfs/dbraw/zinc/78/26/68/1072782668.db2.gz MTRONCWYVVQWQU-AWEZNQCLSA-N -1 3 378.394 3.930 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)[N-]OCCCC(F)(F)F)s1 ZINC001471409111 1073059095 /nfs/dbraw/zinc/05/90/95/1073059095.db2.gz YNTVUIHZUBFEON-UHFFFAOYSA-N -1 3 397.419 3.813 20 0 GHADHM O=C(CNC(=O)c1nnc2ccccc2c1[O-])c1sc2ccccc2c1Cl ZINC001471496025 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3.888 20 0 GHADHM O=C(CCCOc1ccccc1Cl)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288671 1073401365 /nfs/dbraw/zinc/40/13/65/1073401365.db2.gz OPTXDHYJTCGNSO-SHTZXODSSA-N -1 3 389.883 3.837 20 0 GHADHM O=C(COc1ccc2ccccc2c1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288729 1073401507 /nfs/dbraw/zinc/40/15/07/1073401507.db2.gz QOBJNECNOZATML-SAABIXHNSA-N -1 3 377.444 3.557 20 0 GHADHM C[S@](=O)(=NC(=O)c1cc(F)cc2[nH]c(=S)[n-]c21)c1cccc(Cl)c1 ZINC001472337349 1073432236 /nfs/dbraw/zinc/43/22/36/1073432236.db2.gz ODPAJTNUZWWRIO-XMMPIXPASA-N -1 3 383.857 3.941 20 0 GHADHM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1c([O-])cccc1O ZINC001472487072 1073507889 /nfs/dbraw/zinc/50/78/89/1073507889.db2.gz FHFAYHUYBIAPAQ-UHFFFAOYSA-N -1 3 384.335 3.901 20 0 GHADHM O=C(N[C@H](c1nccs1)c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472507744 1073521156 /nfs/dbraw/zinc/52/11/56/1073521156.db2.gz HDYDSWLENWGCEZ-KRWDZBQOSA-N -1 3 397.406 3.782 20 0 GHADHM Cc1ccccc1CCc1cc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)n[nH]1 ZINC001472543126 1073541657 /nfs/dbraw/zinc/54/16/57/1073541657.db2.gz ADKWXRBWEWNEEQ-UHFFFAOYSA-N -1 3 386.455 3.906 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1c([O-])cccc1O ZINC001472599365 1073569189 /nfs/dbraw/zinc/56/91/89/1073569189.db2.gz AYBQHFCGEQXBJQ-HNNXBMFYSA-N -1 3 384.432 3.862 20 0 GHADHM CCCCCC(=O)Nc1ccc(C(=O)CSc2ncc(C(=O)OC)[n-]2)cc1 ZINC001473019055 1073752175 /nfs/dbraw/zinc/75/21/75/1073752175.db2.gz FZJCIIXFLNHAHJ-UHFFFAOYSA-N -1 3 389.477 3.690 20 0 GHADHM CCOC(=O)[C@H](CCCC(C)C)NCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001473782020 1074139959 /nfs/dbraw/zinc/13/99/59/1074139959.db2.gz GJSLJDXSEGSWTB-SFHVURJKSA-N -1 3 389.492 3.909 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)C1=Cc2cc(Cl)ccc2OC1 ZINC001474776016 1074555500 /nfs/dbraw/zinc/55/55/00/1074555500.db2.gz MVDPNOZFDWSKBV-UHFFFAOYSA-N -1 3 392.889 3.803 20 0 GHADHM CC1CCN([C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc2)CC1 ZINC001474863234 1074598638 /nfs/dbraw/zinc/59/86/38/1074598638.db2.gz PTRPCAIWMADXKA-IBGZPJMESA-N -1 3 394.487 3.716 20 0 GHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2csnc2-c2ccccc2)n1 ZINC001474928289 1074636651 /nfs/dbraw/zinc/63/66/51/1074636651.db2.gz JABCAASJSKPWRQ-UHFFFAOYSA-N -1 3 393.559 3.876 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ccc(C(C)C)cc2)s1 ZINC001474957877 1074652626 /nfs/dbraw/zinc/65/26/26/1074652626.db2.gz ALZDUSAXJWQMEW-UHFFFAOYSA-N -1 3 381.519 3.569 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C(C)C)n2)cc1F ZINC001475095840 1074734486 /nfs/dbraw/zinc/73/44/86/1074734486.db2.gz PMKGZNGTVNWIMD-ZDUSSCGKSA-N -1 3 383.489 3.847 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC(C)(C)C ZINC001475098541 1074735893 /nfs/dbraw/zinc/73/58/93/1074735893.db2.gz NLBUOHUYFFBBQW-ZDUSSCGKSA-N -1 3 379.881 3.514 20 0 GHADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001475124273 1074747084 /nfs/dbraw/zinc/74/70/84/1074747084.db2.gz YQQWOBPZZNKAJS-UHFFFAOYSA-N -1 3 379.787 3.635 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2ccccc2c1 ZINC001475128512 1074749168 /nfs/dbraw/zinc/74/91/68/1074749168.db2.gz VCIVUUKTYUQWGA-GOSISDBHSA-N -1 3 377.506 3.800 20 0 GHADHM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)c(C)c1 ZINC001475190640 1074777130 /nfs/dbraw/zinc/77/71/30/1074777130.db2.gz MQNGMGPGXZALLS-UHFFFAOYSA-N -1 3 389.304 3.964 20 0 GHADHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c2ccc(F)cc21 ZINC001475220494 1074791730 /nfs/dbraw/zinc/79/17/30/1074791730.db2.gz BPZRHWZPAZVZJQ-UHFFFAOYSA-N -1 3 384.835 3.631 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)sc1Br ZINC001475224791 1074793992 /nfs/dbraw/zinc/79/39/92/1074793992.db2.gz WPWZMLNJHOHBSP-NWDGAFQWSA-N -1 3 396.372 3.691 20 0 GHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Br)[C@@H]1C ZINC001475250893 1074804855 /nfs/dbraw/zinc/80/48/55/1074804855.db2.gz BQTCOLNCOGYWGH-UTUOFQBUSA-N -1 3 378.307 3.939 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)s1 ZINC001475310320 1074830383 /nfs/dbraw/zinc/83/03/83/1074830383.db2.gz BBDKGYOXMFQBEM-ZCFIWIBFSA-N -1 3 391.305 3.674 20 0 GHADHM O=S(=O)([N-][C@H]1CCCc2c(F)cc(F)cc21)c1ccc(Cl)c2nonc21 ZINC001475340098 1074839974 /nfs/dbraw/zinc/83/99/74/1074839974.db2.gz SITSGAAVVSFZRN-ZDUSSCGKSA-N -1 3 399.806 3.510 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(c2ccccc2F)C1)c1cccc(Cl)c1Cl ZINC001475355713 1074845602 /nfs/dbraw/zinc/84/56/02/1074845602.db2.gz BOXDKLYCWHVFTH-LLVKDONJSA-N -1 3 389.279 3.690 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC001475420420 1074868234 /nfs/dbraw/zinc/86/82/34/1074868234.db2.gz JRYWDVJVKVKPTJ-ZETCQYMHSA-N -1 3 381.342 3.569 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(C)CC[C@H](C)C2(C)C)c(F)c1 ZINC001475475757 1074888544 /nfs/dbraw/zinc/88/85/44/1074888544.db2.gz VJGLXIGHKMJPSR-DJJJIMSYSA-N -1 3 385.501 3.743 20 0 GHADHM CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC001475522256 1074904191 /nfs/dbraw/zinc/90/41/91/1074904191.db2.gz NKALVGNVUIFOPI-QGZVFWFLSA-N -1 3 384.423 3.747 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCCCC1 ZINC001475532810 1074906511 /nfs/dbraw/zinc/90/65/11/1074906511.db2.gz CTQFQXGTDIOWRF-CYBMUJFWSA-N -1 3 399.406 3.598 20 0 GHADHM O=S(=O)([N-]CC1CCC2(CC2)CC1)c1cnc(Cl)c(Br)c1 ZINC001475545120 1074909060 /nfs/dbraw/zinc/90/90/60/1074909060.db2.gz QXSNPTVYJYGAKB-UHFFFAOYSA-N -1 3 393.734 3.746 20 0 GHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC001475558388 1074914336 /nfs/dbraw/zinc/91/43/36/1074914336.db2.gz LPJKHUDNGQMTCW-ZDUSSCGKSA-N -1 3 394.320 3.641 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN1C1CCCC1)c1cc(Cl)ccc1C(F)(F)F ZINC001475559597 1074914741 /nfs/dbraw/zinc/91/47/41/1074914741.db2.gz TYMVQQMIKOWOIR-ZDUSSCGKSA-N -1 3 396.862 3.654 20 0 GHADHM O=S(=O)([N-]Cc1nc2c(s1)CCCC2)c1c2ncsc2ccc1Cl ZINC001475657882 1074994343 /nfs/dbraw/zinc/99/43/43/1074994343.db2.gz JQRBOPSDNCSMEJ-UHFFFAOYSA-N -1 3 399.950 3.764 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc2ccccc21 ZINC001475686990 1074999647 /nfs/dbraw/zinc/99/96/47/1074999647.db2.gz MAUOQKWDSFMNLR-GOSISDBHSA-N -1 3 377.506 3.800 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCc1ccccc1)c1cccc2ccccc21 ZINC001475689373 1074999958 /nfs/dbraw/zinc/99/99/58/1074999958.db2.gz SBHOHKRKUYXLNP-NRFANRHFSA-N -1 3 397.496 3.606 20 0 GHADHM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1cnc(-c2ccccc2)s1 ZINC001475768747 1075017795 /nfs/dbraw/zinc/01/77/95/1075017795.db2.gz KFNMDTSHADZHON-INIZCTEOSA-N -1 3 390.917 3.909 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1cnc(-c2ccccc2)s1 ZINC001475768748 1075018031 /nfs/dbraw/zinc/01/80/31/1075018031.db2.gz KFNMDTSHADZHON-MRXNPFEDSA-N -1 3 390.917 3.909 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC=CCCC2)cc1OC ZINC001476020992 1075070278 /nfs/dbraw/zinc/07/02/78/1075070278.db2.gz QQHWMIQYULLZMS-OAHLLOKOSA-N -1 3 395.525 3.715 20 0 GHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000064374564 222071363 /nfs/dbraw/zinc/07/13/63/222071363.db2.gz HJGMLSKPRBEADL-UHFFFAOYSA-N -1 3 388.832 3.868 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(Cl)cc1Cl ZINC000737525532 598826411 /nfs/dbraw/zinc/82/64/11/598826411.db2.gz RPLSHACVCZSSLK-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(Cl)cc1Cl ZINC000737525532 598826412 /nfs/dbraw/zinc/82/64/12/598826412.db2.gz RPLSHACVCZSSLK-UHFFFAOYSA-N -1 3 386.246 3.789 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736688280 598835326 /nfs/dbraw/zinc/83/53/26/598835326.db2.gz VFFSSSLARWXZIK-SFHVURJKSA-N -1 3 395.463 3.545 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1cccnc1Cl ZINC000738112752 598837009 /nfs/dbraw/zinc/83/70/09/598837009.db2.gz ROBCGHCONRTENQ-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736400759 598837219 /nfs/dbraw/zinc/83/72/19/598837219.db2.gz RSSLVDIBINMHLN-KRWDZBQOSA-N -1 3 392.463 3.849 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736400759 598837220 /nfs/dbraw/zinc/83/72/20/598837220.db2.gz RSSLVDIBINMHLN-KRWDZBQOSA-N -1 3 392.463 3.849 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cnn2ccccc12 ZINC000738236517 598847499 /nfs/dbraw/zinc/84/74/99/598847499.db2.gz LNIAUBZQPOORDC-UHFFFAOYSA-N -1 3 396.410 3.538 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cnn2ccccc12 ZINC000738236517 598847500 /nfs/dbraw/zinc/84/75/00/598847500.db2.gz LNIAUBZQPOORDC-UHFFFAOYSA-N -1 3 396.410 3.538 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)cc1Br ZINC000737031781 598861073 /nfs/dbraw/zinc/86/10/73/598861073.db2.gz FPHVMKJRWVMMDQ-UHFFFAOYSA-N -1 3 395.644 3.870 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)cc1Br ZINC000737031781 598861074 /nfs/dbraw/zinc/86/10/74/598861074.db2.gz FPHVMKJRWVMMDQ-UHFFFAOYSA-N -1 3 395.644 3.870 20 0 GHADHM C[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736261617 598890114 /nfs/dbraw/zinc/89/01/14/598890114.db2.gz LBDPRMPLPISPLO-DOMZBBRYSA-N -1 3 382.493 3.583 20 0 GHADHM CN(Cc1ccco1)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736827994 598890887 /nfs/dbraw/zinc/89/08/87/598890887.db2.gz FFPPTADATAEIBA-UHFFFAOYSA-N -1 3 394.460 3.530 20 0 GHADHM CC(C)(C)CCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735601923 598888794 /nfs/dbraw/zinc/88/87/94/598888794.db2.gz GEZCMOPZTGTQMK-UHFFFAOYSA-N -1 3 384.509 3.831 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735811843 598901882 /nfs/dbraw/zinc/90/18/82/598901882.db2.gz XINOQRGIMANZRX-AWEZNQCLSA-N -1 3 396.520 3.572 20 0 GHADHM CC(C)CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735811843 598901885 /nfs/dbraw/zinc/90/18/85/598901885.db2.gz XINOQRGIMANZRX-AWEZNQCLSA-N -1 3 396.520 3.572 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736398713 598904812 /nfs/dbraw/zinc/90/48/12/598904812.db2.gz CSECGJDZHWMLHF-LBPRGKRZSA-N -1 3 380.399 3.655 20 0 GHADHM CC[C@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736398713 598904813 /nfs/dbraw/zinc/90/48/13/598904813.db2.gz CSECGJDZHWMLHF-LBPRGKRZSA-N -1 3 380.399 3.655 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736222573 598908197 /nfs/dbraw/zinc/90/81/97/598908197.db2.gz DXZBXTKRKHPODX-OKILXGFUSA-N -1 3 396.520 3.783 20 0 GHADHM O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738213085 598909722 /nfs/dbraw/zinc/90/97/22/598909722.db2.gz FAQNFWFFIRYKMQ-CQSZACIVSA-N -1 3 396.756 3.851 20 0 GHADHM O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738213085 598909724 /nfs/dbraw/zinc/90/97/24/598909724.db2.gz FAQNFWFFIRYKMQ-CQSZACIVSA-N -1 3 396.756 3.851 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735922707 598911978 /nfs/dbraw/zinc/91/19/78/598911978.db2.gz IIILSYGAESUTPJ-IRXDYDNUSA-N -1 3 379.439 3.896 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735922707 598911981 /nfs/dbraw/zinc/91/19/81/598911981.db2.gz IIILSYGAESUTPJ-IRXDYDNUSA-N -1 3 379.439 3.896 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736271029 598925979 /nfs/dbraw/zinc/92/59/79/598925979.db2.gz LXRMQJGPEQMNHH-KXBFYZLASA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736271029 598925980 /nfs/dbraw/zinc/92/59/80/598925980.db2.gz LXRMQJGPEQMNHH-KXBFYZLASA-N -1 3 391.475 3.754 20 0 GHADHM CC1CCC(=CC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000736237680 598926006 /nfs/dbraw/zinc/92/60/06/598926006.db2.gz SQCZRPJQKTXDJV-UHFFFAOYSA-N -1 3 394.504 3.989 20 0 GHADHM CC1CCC(=CC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000736237680 598926007 /nfs/dbraw/zinc/92/60/07/598926007.db2.gz SQCZRPJQKTXDJV-UHFFFAOYSA-N -1 3 394.504 3.989 20 0 GHADHM O=C(c1cccc(COc2ccccc2-c2nnn[n-]2)c1)N1CCCCCCC1 ZINC000738265647 598927273 /nfs/dbraw/zinc/92/72/73/598927273.db2.gz AFDQCMRHKWZRQW-UHFFFAOYSA-N -1 3 391.475 3.852 20 0 GHADHM O=C(c1cccc(COc2ccccc2-c2nn[n-]n2)c1)N1CCCCCCC1 ZINC000738265647 598927274 /nfs/dbraw/zinc/92/72/74/598927274.db2.gz AFDQCMRHKWZRQW-UHFFFAOYSA-N -1 3 391.475 3.852 20 0 GHADHM Clc1ccccc1-c1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000737583512 598936993 /nfs/dbraw/zinc/93/69/93/598936993.db2.gz LTIYHDGQLUYKHV-UHFFFAOYSA-N -1 3 392.231 3.770 20 0 GHADHM Clc1ccccc1-c1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000737583512 598936995 /nfs/dbraw/zinc/93/69/95/598936995.db2.gz LTIYHDGQLUYKHV-UHFFFAOYSA-N -1 3 392.231 3.770 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000737659633 598940012 /nfs/dbraw/zinc/94/00/12/598940012.db2.gz KNWGGCFSIQOZBR-UHFFFAOYSA-N -1 3 384.440 3.604 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000737659633 598940014 /nfs/dbraw/zinc/94/00/14/598940014.db2.gz KNWGGCFSIQOZBR-UHFFFAOYSA-N -1 3 384.440 3.604 20 0 GHADHM Fc1ccc(-c2nc(CCNc3ccc(Cl)cc3-c3nnn[n-]3)co2)cc1 ZINC000737650357 598940293 /nfs/dbraw/zinc/94/02/93/598940293.db2.gz HQNRKMCWFONYGR-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM Fc1ccc(-c2nc(CCNc3ccc(Cl)cc3-c3nn[n-]n3)co2)cc1 ZINC000737650357 598940294 /nfs/dbraw/zinc/94/02/94/598940294.db2.gz HQNRKMCWFONYGR-UHFFFAOYSA-N -1 3 384.802 3.969 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000735857520 598940834 /nfs/dbraw/zinc/94/08/34/598940834.db2.gz TYGAXPFUWAONJT-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM CC(C)N(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000735857520 598940836 /nfs/dbraw/zinc/94/08/36/598940836.db2.gz TYGAXPFUWAONJT-UHFFFAOYSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737425615 598963728 /nfs/dbraw/zinc/96/37/28/598963728.db2.gz BYRHISYVWOAANA-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737425615 598963730 /nfs/dbraw/zinc/96/37/30/598963730.db2.gz BYRHISYVWOAANA-OXJNMPFZSA-N -1 3 390.491 3.653 20 0 GHADHM Cc1cc(N[C@H](CCO)c2ccccc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737279308 598978424 /nfs/dbraw/zinc/97/84/24/598978424.db2.gz ALAFYYAERWGNLH-MRXNPFEDSA-N -1 3 399.458 3.512 20 0 GHADHM Cc1cc(N[C@H](CCO)c2ccccc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737279308 598978426 /nfs/dbraw/zinc/97/84/26/598978426.db2.gz ALAFYYAERWGNLH-MRXNPFEDSA-N -1 3 399.458 3.512 20 0 GHADHM O=C(NC1CCCCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738022457 598981094 /nfs/dbraw/zinc/98/10/94/598981094.db2.gz DIFNUQFCLCWZPN-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736789020 599001180 /nfs/dbraw/zinc/00/11/80/599001180.db2.gz RUDWXHRNDHMUPU-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CN(CC(C)(C)C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736789020 599001183 /nfs/dbraw/zinc/00/11/83/599001183.db2.gz RUDWXHRNDHMUPU-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000736481615 599015533 /nfs/dbraw/zinc/01/55/33/599015533.db2.gz YMMOCVWDPYDCPZ-LJQANCHMSA-N -1 3 375.476 3.725 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000736481615 599015535 /nfs/dbraw/zinc/01/55/35/599015535.db2.gz YMMOCVWDPYDCPZ-LJQANCHMSA-N -1 3 375.476 3.725 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736397438 599022639 /nfs/dbraw/zinc/02/26/39/599022639.db2.gz VBGRSBYMVBMORV-CMPLNLGQSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736397438 599022642 /nfs/dbraw/zinc/02/26/42/599022642.db2.gz VBGRSBYMVBMORV-CMPLNLGQSA-N -1 3 380.399 3.558 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735747660 599024611 /nfs/dbraw/zinc/02/46/11/599024611.db2.gz FLXMHHJQMHEXDX-HXUWFJFHSA-N -1 3 391.475 3.706 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737190285 599026778 /nfs/dbraw/zinc/02/67/78/599026778.db2.gz FKERYERPXOKZBC-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737190285 599026780 /nfs/dbraw/zinc/02/67/80/599026780.db2.gz FKERYERPXOKZBC-OLZOCXBDSA-N -1 3 384.461 3.660 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738206950 599035457 /nfs/dbraw/zinc/03/54/57/599035457.db2.gz IDECKPVLNSLNNW-WDEREUQCSA-N -1 3 395.366 3.569 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738206950 599035459 /nfs/dbraw/zinc/03/54/59/599035459.db2.gz IDECKPVLNSLNNW-WDEREUQCSA-N -1 3 395.366 3.569 20 0 GHADHM Fc1cccc(C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737668763 599048176 /nfs/dbraw/zinc/04/81/76/599048176.db2.gz XJZOSTQRTMTBAY-ZDUSSCGKSA-N -1 3 392.360 3.631 20 0 GHADHM Fc1cccc(C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737668763 599048179 /nfs/dbraw/zinc/04/81/79/599048179.db2.gz XJZOSTQRTMTBAY-ZDUSSCGKSA-N -1 3 392.360 3.631 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817507 599070206 /nfs/dbraw/zinc/07/02/06/599070206.db2.gz AVJCCZPFAUHQSV-IAGOWNOFSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817507 599070209 /nfs/dbraw/zinc/07/02/09/599070209.db2.gz AVJCCZPFAUHQSV-IAGOWNOFSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000735874447 599070512 /nfs/dbraw/zinc/07/05/12/599070512.db2.gz IKZOLNJRFXPJHU-WMZOPIPTSA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000735874447 599070515 /nfs/dbraw/zinc/07/05/15/599070515.db2.gz IKZOLNJRFXPJHU-WMZOPIPTSA-N -1 3 397.429 3.686 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)s1 ZINC000736678284 599071003 /nfs/dbraw/zinc/07/10/03/599071003.db2.gz BDUMOYORGHASAV-QWRGUYRKSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)s1 ZINC000736678284 599071006 /nfs/dbraw/zinc/07/10/06/599071006.db2.gz BDUMOYORGHASAV-QWRGUYRKSA-N -1 3 375.404 3.511 20 0 GHADHM CS[C@@H]1CC[C@H](Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC000821950684 599072702 /nfs/dbraw/zinc/07/27/02/599072702.db2.gz POZISTNMRVVYMO-QWHCGFSZSA-N -1 3 379.493 3.672 20 0 GHADHM CS[C@@H]1CC[C@H](Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC000821950684 599072704 /nfs/dbraw/zinc/07/27/04/599072704.db2.gz POZISTNMRVVYMO-QWHCGFSZSA-N -1 3 379.493 3.672 20 0 GHADHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821904201 599077711 /nfs/dbraw/zinc/07/77/11/599077711.db2.gz SRZRHMDZMHIWDA-NSHDSACASA-N -1 3 393.369 3.774 20 0 GHADHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821904201 599077714 /nfs/dbraw/zinc/07/77/14/599077714.db2.gz SRZRHMDZMHIWDA-NSHDSACASA-N -1 3 393.369 3.774 20 0 GHADHM CC(C)C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000735781214 599078802 /nfs/dbraw/zinc/07/88/02/599078802.db2.gz DPFLWLPASBUDCB-QGZVFWFLSA-N -1 3 399.882 3.803 20 0 GHADHM CC(C)C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000735781214 599078805 /nfs/dbraw/zinc/07/88/05/599078805.db2.gz DPFLWLPASBUDCB-QGZVFWFLSA-N -1 3 399.882 3.803 20 0 GHADHM CC(C)C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735787473 599079768 /nfs/dbraw/zinc/07/97/68/599079768.db2.gz KLCPBBHISLSARV-GOSISDBHSA-N -1 3 383.883 3.966 20 0 GHADHM CC(C)C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000735787473 599079769 /nfs/dbraw/zinc/07/97/69/599079769.db2.gz KLCPBBHISLSARV-GOSISDBHSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820286601 599080241 /nfs/dbraw/zinc/08/02/41/599080241.db2.gz CTQVVFGQBZJFLT-LBPRGKRZSA-N -1 3 377.370 3.903 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H]1C ZINC000736266042 599082176 /nfs/dbraw/zinc/08/21/76/599082176.db2.gz MJQBAPGWLMRNCR-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)[C@@H]1C ZINC000736266042 599082179 /nfs/dbraw/zinc/08/21/79/599082179.db2.gz MJQBAPGWLMRNCR-HZPDHXFCSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000736267980 599082425 /nfs/dbraw/zinc/08/24/25/599082425.db2.gz VMMCVLOFPGJHPY-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)[C@H]1C ZINC000736267980 599082428 /nfs/dbraw/zinc/08/24/28/599082428.db2.gz VMMCVLOFPGJHPY-HOTGVXAUSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)[C@H]1C ZINC000736269085 599082683 /nfs/dbraw/zinc/08/26/83/599082683.db2.gz ZDNWXAOCDAXUBC-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[C@H]1C ZINC000736269085 599082686 /nfs/dbraw/zinc/08/26/86/599082686.db2.gz ZDNWXAOCDAXUBC-CABCVRRESA-N -1 3 377.448 3.920 20 0 GHADHM CCSCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000736668365 599084138 /nfs/dbraw/zinc/08/41/38/599084138.db2.gz YGVCYAGKRGRHIF-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM CCSCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000736668365 599084141 /nfs/dbraw/zinc/08/41/41/599084141.db2.gz YGVCYAGKRGRHIF-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736232345 599101268 /nfs/dbraw/zinc/10/12/68/599101268.db2.gz CPFHZSYZGBQHMO-ZBFHGGJFSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736232345 599101270 /nfs/dbraw/zinc/10/12/70/599101270.db2.gz CPFHZSYZGBQHMO-ZBFHGGJFSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736232341 599101457 /nfs/dbraw/zinc/10/14/57/599101457.db2.gz CPFHZSYZGBQHMO-HOCLYGCPSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736232341 599101458 /nfs/dbraw/zinc/10/14/58/599101458.db2.gz CPFHZSYZGBQHMO-HOCLYGCPSA-N -1 3 393.495 3.833 20 0 GHADHM Fc1ccc(-c2c[nH]c([C@H]3CCCN3Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822753221 599105598 /nfs/dbraw/zinc/10/55/98/599105598.db2.gz JKAZVLATCQQYSF-LJQANCHMSA-N -1 3 389.438 3.733 20 0 GHADHM CC(C)C[C@@H](NC(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735784329 599109368 /nfs/dbraw/zinc/10/93/68/599109368.db2.gz UIJUERHUQSPVQK-QGZVFWFLSA-N -1 3 381.505 3.862 20 0 GHADHM CC(C)C[C@@H](NC(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735784329 599109371 /nfs/dbraw/zinc/10/93/71/599109371.db2.gz UIJUERHUQSPVQK-QGZVFWFLSA-N -1 3 381.505 3.862 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737218484 599118393 /nfs/dbraw/zinc/11/83/93/599118393.db2.gz JMWRAQDDXVQWLJ-OAHLLOKOSA-N -1 3 378.480 3.562 20 0 GHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737218484 599118395 /nfs/dbraw/zinc/11/83/95/599118395.db2.gz JMWRAQDDXVQWLJ-OAHLLOKOSA-N -1 3 378.480 3.562 20 0 GHADHM c1coc(-c2c3c(nc(SC[C@H]4CCCOC4)c2-c2nnn[n-]2)CCC3)c1 ZINC000823815367 607258870 /nfs/dbraw/zinc/25/88/70/607258870.db2.gz DDWBKQDSBKEIOV-LBPRGKRZSA-N -1 3 383.477 3.529 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820252532 599136538 /nfs/dbraw/zinc/13/65/38/599136538.db2.gz BLPJLKFMRNHEMU-OAHLLOKOSA-N -1 3 393.466 3.766 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820252532 599136541 /nfs/dbraw/zinc/13/65/41/599136541.db2.gz BLPJLKFMRNHEMU-OAHLLOKOSA-N -1 3 393.466 3.766 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000736635845 599145475 /nfs/dbraw/zinc/14/54/75/599145475.db2.gz HWOAGWDAENPHNU-AWEZNQCLSA-N -1 3 380.452 3.765 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000736635845 599145477 /nfs/dbraw/zinc/14/54/77/599145477.db2.gz HWOAGWDAENPHNU-AWEZNQCLSA-N -1 3 380.452 3.765 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000736670744 599160755 /nfs/dbraw/zinc/16/07/55/599160755.db2.gz QCHXTGGWFKNAGV-WDEREUQCSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000736670744 599160756 /nfs/dbraw/zinc/16/07/56/599160756.db2.gz QCHXTGGWFKNAGV-WDEREUQCSA-N -1 3 389.431 3.819 20 0 GHADHM CCOc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000736650682 599160953 /nfs/dbraw/zinc/16/09/53/599160953.db2.gz HKJIVTQDXZQZOI-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM CCOc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000736650682 599160955 /nfs/dbraw/zinc/16/09/55/599160955.db2.gz HKJIVTQDXZQZOI-UHFFFAOYSA-N -1 3 380.433 3.608 20 0 GHADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737932584 599162862 /nfs/dbraw/zinc/16/28/62/599162862.db2.gz ZBDZUKUIIQQJAR-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(OC2CCCCC2)cc1 ZINC000737932584 599162864 /nfs/dbraw/zinc/16/28/64/599162864.db2.gz ZBDZUKUIIQQJAR-UHFFFAOYSA-N -1 3 393.447 3.596 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823074247 599162943 /nfs/dbraw/zinc/16/29/43/599162943.db2.gz NJBGTHDXBORWIW-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823074247 599162945 /nfs/dbraw/zinc/16/29/45/599162945.db2.gz NJBGTHDXBORWIW-UHFFFAOYSA-N -1 3 387.418 3.532 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736351883 599166794 /nfs/dbraw/zinc/16/67/94/599166794.db2.gz IHKAMRCPOHUGBR-KQPPXVQYSA-N -1 3 381.867 3.671 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736351883 599166796 /nfs/dbraw/zinc/16/67/96/599166796.db2.gz IHKAMRCPOHUGBR-KQPPXVQYSA-N -1 3 381.867 3.671 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000735736948 599168385 /nfs/dbraw/zinc/16/83/85/599168385.db2.gz XHCYYYAPCOTDKZ-QGZVFWFLSA-N -1 3 391.516 3.914 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)C1CCCCC1 ZINC000735736948 599168388 /nfs/dbraw/zinc/16/83/88/599168388.db2.gz XHCYYYAPCOTDKZ-QGZVFWFLSA-N -1 3 391.516 3.914 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000738406272 599176725 /nfs/dbraw/zinc/17/67/25/599176725.db2.gz BUPRNGBLISXVNV-IJLUTSLNSA-N -1 3 376.917 3.775 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000738406272 599176727 /nfs/dbraw/zinc/17/67/27/599176727.db2.gz BUPRNGBLISXVNV-IJLUTSLNSA-N -1 3 376.917 3.775 20 0 GHADHM COc1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c(C)c1 ZINC000737070715 599178581 /nfs/dbraw/zinc/17/85/81/599178581.db2.gz BNKVYQNOJUWPDD-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c(C)c1 ZINC000737070715 599178582 /nfs/dbraw/zinc/17/85/82/599178582.db2.gz BNKVYQNOJUWPDD-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192263 599180600 /nfs/dbraw/zinc/18/06/00/599180600.db2.gz HHZDSCSRQDWORB-AWEZNQCLSA-N -1 3 381.455 3.939 20 0 GHADHM CC(C)c1ccc([C@@H](C)CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192263 599180601 /nfs/dbraw/zinc/18/06/01/599180601.db2.gz HHZDSCSRQDWORB-AWEZNQCLSA-N -1 3 381.455 3.939 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000735903068 599184488 /nfs/dbraw/zinc/18/44/88/599184488.db2.gz DSBMOAFMGAZJOL-HNNXBMFYSA-N -1 3 395.488 3.872 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000735903068 599184490 /nfs/dbraw/zinc/18/44/90/599184490.db2.gz DSBMOAFMGAZJOL-HNNXBMFYSA-N -1 3 395.488 3.872 20 0 GHADHM CCCc1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)s1 ZINC000736495993 599184707 /nfs/dbraw/zinc/18/47/07/599184707.db2.gz XGUSDGBOWJTYCC-UHFFFAOYSA-N -1 3 384.509 3.574 20 0 GHADHM CCCc1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)s1 ZINC000736495993 599184708 /nfs/dbraw/zinc/18/47/08/599184708.db2.gz XGUSDGBOWJTYCC-UHFFFAOYSA-N -1 3 384.509 3.574 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736732025 599185057 /nfs/dbraw/zinc/18/50/57/599185057.db2.gz LJKWOLMUXBSZPO-CVEARBPZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736732025 599185060 /nfs/dbraw/zinc/18/50/60/599185060.db2.gz LJKWOLMUXBSZPO-CVEARBPZSA-N -1 3 388.258 3.940 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000737056270 599187636 /nfs/dbraw/zinc/18/76/36/599187636.db2.gz BEZPTDOAOIYXPO-SNVBAGLBSA-N -1 3 391.353 3.636 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000737056270 599187638 /nfs/dbraw/zinc/18/76/38/599187638.db2.gz BEZPTDOAOIYXPO-SNVBAGLBSA-N -1 3 391.353 3.636 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738253722 599198473 /nfs/dbraw/zinc/19/84/73/599198473.db2.gz GZPVSQUCVADPKR-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000738253722 599198474 /nfs/dbraw/zinc/19/84/74/599198474.db2.gz GZPVSQUCVADPKR-UHFFFAOYSA-N -1 3 381.867 3.615 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000737235308 599210741 /nfs/dbraw/zinc/21/07/41/599210741.db2.gz USIVJJLFEWQSDW-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000737235308 599210743 /nfs/dbraw/zinc/21/07/43/599210743.db2.gz USIVJJLFEWQSDW-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000737234968 599210845 /nfs/dbraw/zinc/21/08/45/599210845.db2.gz QJNDAKHMCQYEAT-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000737234968 599210848 /nfs/dbraw/zinc/21/08/48/599210848.db2.gz QJNDAKHMCQYEAT-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM O=C(c1ccoc1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738290271 599211684 /nfs/dbraw/zinc/21/16/84/599211684.db2.gz PSBGANTUTJQZMS-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM O=C(c1ccoc1)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738290271 599211687 /nfs/dbraw/zinc/21/16/87/599211687.db2.gz PSBGANTUTJQZMS-UHFFFAOYSA-N -1 3 379.807 3.960 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)c1C ZINC000737454045 599214858 /nfs/dbraw/zinc/21/48/58/599214858.db2.gz WDSSDLMQGGKFIO-UHFFFAOYSA-N -1 3 391.460 3.610 20 0 GHADHM Cc1[nH]nc(NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)c1C ZINC000737454045 599214860 /nfs/dbraw/zinc/21/48/60/599214860.db2.gz WDSSDLMQGGKFIO-UHFFFAOYSA-N -1 3 391.460 3.610 20 0 GHADHM COc1cc(COC(=O)CC(C)C)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737047929 599214864 /nfs/dbraw/zinc/21/48/64/599214864.db2.gz UOECRBZBNLXDPX-UHFFFAOYSA-N -1 3 396.447 3.544 20 0 GHADHM COc1cc(COC(=O)CC(C)C)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737047929 599214866 /nfs/dbraw/zinc/21/48/66/599214866.db2.gz UOECRBZBNLXDPX-UHFFFAOYSA-N -1 3 396.447 3.544 20 0 GHADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000736281899 599222677 /nfs/dbraw/zinc/22/26/77/599222677.db2.gz UYBWSOICWFGTRN-HNAYVOBHSA-N -1 3 393.516 3.611 20 0 GHADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736281899 599222679 /nfs/dbraw/zinc/22/26/79/599222679.db2.gz UYBWSOICWFGTRN-HNAYVOBHSA-N -1 3 393.516 3.611 20 0 GHADHM CC(C)Oc1ccc(OC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000735912608 599223088 /nfs/dbraw/zinc/22/30/88/599223088.db2.gz GHOPPVNZQUXGAI-IBGZPJMESA-N -1 3 396.447 3.663 20 0 GHADHM CC(C)Oc1ccc(OC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000735912608 599223091 /nfs/dbraw/zinc/22/30/91/599223091.db2.gz GHOPPVNZQUXGAI-IBGZPJMESA-N -1 3 396.447 3.663 20 0 GHADHM O=C(NCC1Cc2ccccc2C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738053425 599225624 /nfs/dbraw/zinc/22/56/24/599225624.db2.gz WZWDZGLNRVPEMK-UHFFFAOYSA-N -1 3 395.466 3.679 20 0 GHADHM O=C(NCC1Cc2ccccc2C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738053425 599225627 /nfs/dbraw/zinc/22/56/27/599225627.db2.gz WZWDZGLNRVPEMK-UHFFFAOYSA-N -1 3 395.466 3.679 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736235899 599226902 /nfs/dbraw/zinc/22/69/02/599226902.db2.gz PTBWTZXLIARNQA-LLSQANQASA-N -1 3 381.867 3.576 20 0 GHADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736235899 599226903 /nfs/dbraw/zinc/22/69/03/599226903.db2.gz PTBWTZXLIARNQA-LLSQANQASA-N -1 3 381.867 3.576 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356118 599227153 /nfs/dbraw/zinc/22/71/53/599227153.db2.gz JUGWYOJAMRKJON-HOTGVXAUSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1ccccc1C[C@H](C)NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356118 599227155 /nfs/dbraw/zinc/22/71/55/599227155.db2.gz JUGWYOJAMRKJON-HOTGVXAUSA-N -1 3 395.532 3.717 20 0 GHADHM Cc1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000822067192 607269664 /nfs/dbraw/zinc/26/96/64/607269664.db2.gz ISZYWGNAWNILSD-UHFFFAOYSA-N -1 3 388.431 3.792 20 0 GHADHM Cc1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000822067192 607269665 /nfs/dbraw/zinc/26/96/65/607269665.db2.gz ISZYWGNAWNILSD-UHFFFAOYSA-N -1 3 388.431 3.792 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233517 599246414 /nfs/dbraw/zinc/24/64/14/599246414.db2.gz QLXPMRNBXZFXTJ-RTBURBONSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233517 599246416 /nfs/dbraw/zinc/24/64/16/599246416.db2.gz QLXPMRNBXZFXTJ-RTBURBONSA-N -1 3 376.464 3.975 20 0 GHADHM Cc1cnc([C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)s1 ZINC000822389006 599247991 /nfs/dbraw/zinc/24/79/91/599247991.db2.gz INRMSJMQFHORQR-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1cnc([C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)s1 ZINC000822389006 599247993 /nfs/dbraw/zinc/24/79/93/599247993.db2.gz INRMSJMQFHORQR-CYBMUJFWSA-N -1 3 389.872 3.558 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822076258 607281335 /nfs/dbraw/zinc/28/13/35/607281335.db2.gz MYGHPLXTMFSMBW-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM Cc1c(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822076258 607281336 /nfs/dbraw/zinc/28/13/36/607281336.db2.gz MYGHPLXTMFSMBW-UHFFFAOYSA-N -1 3 390.369 3.858 20 0 GHADHM COc1ccc(C2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)cc1 ZINC000821787749 607287758 /nfs/dbraw/zinc/28/77/58/607287758.db2.gz ZHXATJXRMIHUMT-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM COc1ccc(C2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)cc1 ZINC000821787749 607287759 /nfs/dbraw/zinc/28/77/59/607287759.db2.gz ZHXATJXRMIHUMT-UHFFFAOYSA-N -1 3 392.463 3.595 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913065 599260022 /nfs/dbraw/zinc/26/00/22/599260022.db2.gz CHTCUDGGGSHKHJ-UZLBHIALSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913065 599260023 /nfs/dbraw/zinc/26/00/23/599260023.db2.gz CHTCUDGGGSHKHJ-UZLBHIALSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Br)s1 ZINC000822175979 607296989 /nfs/dbraw/zinc/29/69/89/607296989.db2.gz CUKRKDCWUCEZOW-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Br)s1 ZINC000822175979 607296990 /nfs/dbraw/zinc/29/69/90/607296990.db2.gz CUKRKDCWUCEZOW-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820913063 599260466 /nfs/dbraw/zinc/26/04/66/599260466.db2.gz CHTCUDGGGSHKHJ-OXQOHEQNSA-N -1 3 392.507 3.899 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820913063 599260469 /nfs/dbraw/zinc/26/04/69/599260469.db2.gz CHTCUDGGGSHKHJ-OXQOHEQNSA-N -1 3 392.507 3.899 20 0 GHADHM c1sc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1-c1nnn[n-]1 ZINC000823737790 607314724 /nfs/dbraw/zinc/31/47/24/607314724.db2.gz KMKRQEJNOPHQIT-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM c1sc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1-c1nn[n-]n1 ZINC000823737790 607314725 /nfs/dbraw/zinc/31/47/25/607314725.db2.gz KMKRQEJNOPHQIT-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM COc1ccc(CNc2ccccc2OCc2cscn2)cc1-c1nnn[n-]1 ZINC000821824541 607316123 /nfs/dbraw/zinc/31/61/23/607316123.db2.gz MKTIFWVLPWHGKN-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM COc1ccc(CNc2ccccc2OCc2cscn2)cc1-c1nn[n-]n1 ZINC000821824541 607316124 /nfs/dbraw/zinc/31/61/24/607316124.db2.gz MKTIFWVLPWHGKN-UHFFFAOYSA-N -1 3 394.460 3.523 20 0 GHADHM FC(F)(F)c1csc(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000822727966 607303300 /nfs/dbraw/zinc/30/33/00/607303300.db2.gz CXMCLLSEYOUWQS-UHFFFAOYSA-N -1 3 386.428 3.687 20 0 GHADHM FC(F)(F)c1csc(NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000822727966 607303301 /nfs/dbraw/zinc/30/33/01/607303301.db2.gz CXMCLLSEYOUWQS-UHFFFAOYSA-N -1 3 386.428 3.687 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000821761659 599272039 /nfs/dbraw/zinc/27/20/39/599272039.db2.gz DSYJTRBWJNALOJ-RHSMWYFYSA-N -1 3 392.463 3.533 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000821761659 599272041 /nfs/dbraw/zinc/27/20/41/599272041.db2.gz DSYJTRBWJNALOJ-RHSMWYFYSA-N -1 3 392.463 3.533 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000737574172 599268419 /nfs/dbraw/zinc/26/84/19/599268419.db2.gz QZKFVNWHQSVGJH-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000737574172 599268421 /nfs/dbraw/zinc/26/84/21/599268421.db2.gz QZKFVNWHQSVGJH-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000822220446 599273848 /nfs/dbraw/zinc/27/38/48/599273848.db2.gz RKONIMNCNVHNRO-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000822220446 599273850 /nfs/dbraw/zinc/27/38/50/599273850.db2.gz RKONIMNCNVHNRO-UHFFFAOYSA-N -1 3 385.431 3.559 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000736115794 599274896 /nfs/dbraw/zinc/27/48/96/599274896.db2.gz AYMLYZKWVUCGSM-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000736115794 599274898 /nfs/dbraw/zinc/27/48/98/599274898.db2.gz AYMLYZKWVUCGSM-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380565 599276180 /nfs/dbraw/zinc/27/61/80/599276180.db2.gz WJOOIXUJNOIVMP-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380565 599276183 /nfs/dbraw/zinc/27/61/83/599276183.db2.gz WJOOIXUJNOIVMP-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823182807 599283204 /nfs/dbraw/zinc/28/32/04/599283204.db2.gz OINLBFHPCYDJFO-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM O=C(NCCC(F)(F)F)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823182807 599283207 /nfs/dbraw/zinc/28/32/07/599283207.db2.gz OINLBFHPCYDJFO-UHFFFAOYSA-N -1 3 392.341 3.733 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000820120287 599285898 /nfs/dbraw/zinc/28/58/98/599285898.db2.gz AGZNLEIZQMRRDT-UHFFFAOYSA-N -1 3 389.463 3.801 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000820120287 599285901 /nfs/dbraw/zinc/28/59/01/599285901.db2.gz AGZNLEIZQMRRDT-UHFFFAOYSA-N -1 3 389.463 3.801 20 0 GHADHM C[C@@H](Sc1nncn1CCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192331 599286509 /nfs/dbraw/zinc/28/65/09/599286509.db2.gz LNKDPWMICNMIHR-GFCCVEGCSA-N -1 3 383.506 3.616 20 0 GHADHM C[C@@H](Sc1nncn1CCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192331 599286512 /nfs/dbraw/zinc/28/65/12/599286512.db2.gz LNKDPWMICNMIHR-GFCCVEGCSA-N -1 3 383.506 3.616 20 0 GHADHM C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192298 599286613 /nfs/dbraw/zinc/28/66/13/599286613.db2.gz LEMQNZUCRHGXPQ-GFCCVEGCSA-N -1 3 390.476 3.708 20 0 GHADHM C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192298 599286615 /nfs/dbraw/zinc/28/66/15/599286615.db2.gz LEMQNZUCRHGXPQ-GFCCVEGCSA-N -1 3 390.476 3.708 20 0 GHADHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)C2)sc1C ZINC000737292123 599286966 /nfs/dbraw/zinc/28/69/66/599286966.db2.gz SANOGPWJISRZAJ-OAHLLOKOSA-N -1 3 397.508 3.660 20 0 GHADHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)C2)sc1C ZINC000737292123 599286968 /nfs/dbraw/zinc/28/69/68/599286968.db2.gz SANOGPWJISRZAJ-OAHLLOKOSA-N -1 3 397.508 3.660 20 0 GHADHM C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193262 599287437 /nfs/dbraw/zinc/28/74/37/599287437.db2.gz QTEKMUBJILHJAM-LLVKDONJSA-N -1 3 383.868 3.954 20 0 GHADHM C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193262 599287438 /nfs/dbraw/zinc/28/74/38/599287438.db2.gz QTEKMUBJILHJAM-LLVKDONJSA-N -1 3 383.868 3.954 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820696740 599288117 /nfs/dbraw/zinc/28/81/17/599288117.db2.gz BSRAAGOFHNNZLP-GHMZBOCLSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820696740 599288119 /nfs/dbraw/zinc/28/81/19/599288119.db2.gz BSRAAGOFHNNZLP-GHMZBOCLSA-N -1 3 382.390 3.928 20 0 GHADHM Cc1c(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cccc1-c1nnn[n-]1 ZINC000822109523 607321438 /nfs/dbraw/zinc/32/14/38/607321438.db2.gz RSETUGBKMUGAMU-UHFFFAOYSA-N -1 3 388.406 3.992 20 0 GHADHM Cc1c(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cccc1-c1nn[n-]n1 ZINC000822109523 607321439 /nfs/dbraw/zinc/32/14/39/607321439.db2.gz RSETUGBKMUGAMU-UHFFFAOYSA-N -1 3 388.406 3.992 20 0 GHADHM Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822303481 599290137 /nfs/dbraw/zinc/29/01/37/599290137.db2.gz CBVJBKRHSBVMNS-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822303481 599290139 /nfs/dbraw/zinc/29/01/39/599290139.db2.gz CBVJBKRHSBVMNS-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM COc1ccccc1Cc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737152196 599290228 /nfs/dbraw/zinc/29/02/28/599290228.db2.gz JTCIPCCRMKQKKP-GFCCVEGCSA-N -1 3 394.460 3.702 20 0 GHADHM COc1ccccc1Cc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737152196 599290230 /nfs/dbraw/zinc/29/02/30/599290230.db2.gz JTCIPCCRMKQKKP-GFCCVEGCSA-N -1 3 394.460 3.702 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000820372526 599291319 /nfs/dbraw/zinc/29/13/19/599291319.db2.gz ABRKPGWIQFVWHS-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000820372526 599291320 /nfs/dbraw/zinc/29/13/20/599291320.db2.gz ABRKPGWIQFVWHS-MRVPVSSYSA-N -1 3 382.371 3.830 20 0 GHADHM CN(Cc1ccsc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821615852 599291921 /nfs/dbraw/zinc/29/19/21/599291921.db2.gz RDLWWVUBZCFLOF-UHFFFAOYSA-N -1 3 382.371 3.611 20 0 GHADHM CN(Cc1ccsc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821615852 599291925 /nfs/dbraw/zinc/29/19/25/599291925.db2.gz RDLWWVUBZCFLOF-UHFFFAOYSA-N -1 3 382.371 3.611 20 0 GHADHM FC(F)(F)c1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723250 607331261 /nfs/dbraw/zinc/33/12/61/607331261.db2.gz BGNCVESKFWQIJT-LBPRGKRZSA-N -1 3 399.442 3.742 20 0 GHADHM FC(F)(F)c1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723250 607331262 /nfs/dbraw/zinc/33/12/62/607331262.db2.gz BGNCVESKFWQIJT-LBPRGKRZSA-N -1 3 399.442 3.742 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000737954935 598231464 /nfs/dbraw/zinc/23/14/64/598231464.db2.gz SPLHFGJKUMSJRO-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000737954935 598231466 /nfs/dbraw/zinc/23/14/66/598231466.db2.gz SPLHFGJKUMSJRO-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1(C(F)(F)F)CC1 ZINC000738183565 598232885 /nfs/dbraw/zinc/23/28/85/598232885.db2.gz JPHDNFNCRJOGEU-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1(C(F)(F)F)CC1 ZINC000738183565 598232887 /nfs/dbraw/zinc/23/28/87/598232887.db2.gz JPHDNFNCRJOGEU-UHFFFAOYSA-N -1 3 389.337 3.940 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737944180 598233107 /nfs/dbraw/zinc/23/31/07/598233107.db2.gz WLJBHSIFTLKHBE-LJQANCHMSA-N -1 3 397.479 3.756 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000737944180 598233108 /nfs/dbraw/zinc/23/31/08/598233108.db2.gz WLJBHSIFTLKHBE-LJQANCHMSA-N -1 3 397.479 3.756 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOc2ccc(Br)cc21 ZINC000737640164 598240725 /nfs/dbraw/zinc/24/07/25/598240725.db2.gz LOLMOFITGPDYQG-ZDUSSCGKSA-N -1 3 390.216 3.704 20 0 GHADHM CCc1csc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000736701074 598243426 /nfs/dbraw/zinc/24/34/26/598243426.db2.gz YKOYNXSATZQJGG-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM CCc1csc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000736701074 598243428 /nfs/dbraw/zinc/24/34/28/598243428.db2.gz YKOYNXSATZQJGG-UHFFFAOYSA-N -1 3 376.445 3.805 20 0 GHADHM COc1ccc(Cl)cc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737099252 598249081 /nfs/dbraw/zinc/24/90/81/598249081.db2.gz KAHHEUPPZAGZRZ-UHFFFAOYSA-N -1 3 399.882 3.572 20 0 GHADHM C[C@H](c1cccc(Cl)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736201905 598255767 /nfs/dbraw/zinc/25/57/67/598255767.db2.gz YIUDCIIUKVKNNE-CYBMUJFWSA-N -1 3 386.862 3.542 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(C(F)(F)F)c(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000822765915 607346742 /nfs/dbraw/zinc/34/67/42/607346742.db2.gz AYDXNZNWRGZYDB-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@@H]2CN(c3ccc(C(F)(F)F)c(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000822765915 607346745 /nfs/dbraw/zinc/34/67/45/607346745.db2.gz AYDXNZNWRGZYDB-INIZCTEOSA-N -1 3 393.344 3.603 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000735661613 598276298 /nfs/dbraw/zinc/27/62/98/598276298.db2.gz VVUMCUVGROMDNR-MRXNPFEDSA-N -1 3 379.468 3.792 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000735661613 598276300 /nfs/dbraw/zinc/27/63/00/598276300.db2.gz VVUMCUVGROMDNR-MRXNPFEDSA-N -1 3 379.468 3.792 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000735661932 598276389 /nfs/dbraw/zinc/27/63/89/598276389.db2.gz YUJHFOWYQFTWJE-OAHLLOKOSA-N -1 3 385.497 3.758 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000735661932 598276391 /nfs/dbraw/zinc/27/63/91/598276391.db2.gz YUJHFOWYQFTWJE-OAHLLOKOSA-N -1 3 385.497 3.758 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCSc2ccccc21 ZINC000735660193 598277541 /nfs/dbraw/zinc/27/75/41/598277541.db2.gz JKCSUUOZOSGLDV-AWEZNQCLSA-N -1 3 397.508 3.782 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCSc2ccccc21 ZINC000735660193 598277543 /nfs/dbraw/zinc/27/75/43/598277543.db2.gz JKCSUUOZOSGLDV-AWEZNQCLSA-N -1 3 397.508 3.782 20 0 GHADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1Cc2ccccc2C1 ZINC000736741819 598278806 /nfs/dbraw/zinc/27/88/06/598278806.db2.gz SZZRXTTWRZDQTM-UHFFFAOYSA-N -1 3 395.466 3.773 20 0 GHADHM CN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1Cc2ccccc2C1 ZINC000736741819 598278807 /nfs/dbraw/zinc/27/88/07/598278807.db2.gz SZZRXTTWRZDQTM-UHFFFAOYSA-N -1 3 395.466 3.773 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736425242 598284603 /nfs/dbraw/zinc/28/46/03/598284603.db2.gz UJJXZSXZZHGAON-CABCVRRESA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736425242 598284604 /nfs/dbraw/zinc/28/46/04/598284604.db2.gz UJJXZSXZZHGAON-CABCVRRESA-N -1 3 394.479 3.764 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2cccs2)c1 ZINC000737896310 598289290 /nfs/dbraw/zinc/28/92/90/598289290.db2.gz WBNLCODADJNORX-UHFFFAOYSA-N -1 3 376.445 3.646 20 0 GHADHM COc1c(Cl)cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737024286 598292656 /nfs/dbraw/zinc/29/26/56/598292656.db2.gz FPOAKKJQNARSSK-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1c(Cl)cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737024286 598292657 /nfs/dbraw/zinc/29/26/57/598292657.db2.gz FPOAKKJQNARSSK-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM O=C(C1CCCCCC1)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000737786179 598296083 /nfs/dbraw/zinc/29/60/83/598296083.db2.gz SCOXGVOHYYNFKW-UHFFFAOYSA-N -1 3 381.402 3.728 20 0 GHADHM O=C(C1CCCCCC1)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000737786179 598296085 /nfs/dbraw/zinc/29/60/85/598296085.db2.gz SCOXGVOHYYNFKW-UHFFFAOYSA-N -1 3 381.402 3.728 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736324137 598297096 /nfs/dbraw/zinc/29/70/96/598297096.db2.gz BVLCKCDSNDBZHT-RDRICISKSA-N -1 3 377.448 3.720 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736324137 598297097 /nfs/dbraw/zinc/29/70/97/598297097.db2.gz BVLCKCDSNDBZHT-RDRICISKSA-N -1 3 377.448 3.720 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736330404 598297194 /nfs/dbraw/zinc/29/71/94/598297194.db2.gz XKZHICMRXMITSY-CJTWTEFWSA-N -1 3 391.475 3.716 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736330404 598297196 /nfs/dbraw/zinc/29/71/96/598297196.db2.gz XKZHICMRXMITSY-CJTWTEFWSA-N -1 3 391.475 3.716 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737287061 598297213 /nfs/dbraw/zinc/29/72/13/598297213.db2.gz CXDHJVDOYVFHGV-UHFFFAOYSA-N -1 3 384.443 3.808 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737287061 598297215 /nfs/dbraw/zinc/29/72/15/598297215.db2.gz CXDHJVDOYVFHGV-UHFFFAOYSA-N -1 3 384.443 3.808 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccc(F)c2)CCCCC1 ZINC000738099677 598301058 /nfs/dbraw/zinc/30/10/58/598301058.db2.gz IAVCTPHZHPFHST-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccc(F)c2)CCCCC1 ZINC000738099677 598301060 /nfs/dbraw/zinc/30/10/60/598301060.db2.gz IAVCTPHZHPFHST-UHFFFAOYSA-N -1 3 397.429 3.663 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccc(F)cc2)s1 ZINC000738101582 598305739 /nfs/dbraw/zinc/30/57/39/598305739.db2.gz IZCFGDXHARVWTF-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccc(F)cc2)s1 ZINC000738101582 598305740 /nfs/dbraw/zinc/30/57/40/598305740.db2.gz IZCFGDXHARVWTF-UHFFFAOYSA-N -1 3 397.410 3.803 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736330394 598309544 /nfs/dbraw/zinc/30/95/44/598309544.db2.gz XGMICYBJYZHDMI-ZDUSSCGKSA-N -1 3 383.427 3.561 20 0 GHADHM CC[C@H](C)c1ccccc1OCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736330394 598309546 /nfs/dbraw/zinc/30/95/46/598309546.db2.gz XGMICYBJYZHDMI-ZDUSSCGKSA-N -1 3 383.427 3.561 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736187453 598314702 /nfs/dbraw/zinc/31/47/02/598314702.db2.gz AVSZGUUUHZWISK-STQMWFEESA-N -1 3 397.479 3.605 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736187453 598314704 /nfs/dbraw/zinc/31/47/04/598314704.db2.gz AVSZGUUUHZWISK-STQMWFEESA-N -1 3 397.479 3.605 20 0 GHADHM O=C(Nc1ccccc1Cl)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738189688 598324463 /nfs/dbraw/zinc/32/44/63/598324463.db2.gz KVZMIBSKEMIBOL-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccccc1Cl)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738189688 598324464 /nfs/dbraw/zinc/32/44/64/598324464.db2.gz KVZMIBSKEMIBOL-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737361164 598324571 /nfs/dbraw/zinc/32/45/71/598324571.db2.gz VFXRILKZHMQWJK-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737361164 598324572 /nfs/dbraw/zinc/32/45/72/598324572.db2.gz VFXRILKZHMQWJK-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CC(C)C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000735790397 598325447 /nfs/dbraw/zinc/32/54/47/598325447.db2.gz ZZRCQVOSOHPQJN-OAHLLOKOSA-N -1 3 388.472 3.654 20 0 GHADHM CC(C)C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000735790397 598325448 /nfs/dbraw/zinc/32/54/48/598325448.db2.gz ZZRCQVOSOHPQJN-OAHLLOKOSA-N -1 3 388.472 3.654 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(Cc1ccccc1)CC1CCC1 ZINC000738100080 598326837 /nfs/dbraw/zinc/32/68/37/598326837.db2.gz LEQZNMBXLRGZAT-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(Cc1ccccc1)CC1CCC1 ZINC000738100080 598326839 /nfs/dbraw/zinc/32/68/39/598326839.db2.gz LEQZNMBXLRGZAT-UHFFFAOYSA-N -1 3 394.454 3.518 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1ccccc1C(F)(F)F ZINC000737803458 598331849 /nfs/dbraw/zinc/33/18/49/598331849.db2.gz SVKWFHABENGUCV-KTKRTIGZSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1ccccc1C(F)(F)F ZINC000737803458 598331850 /nfs/dbraw/zinc/33/18/50/598331850.db2.gz SVKWFHABENGUCV-KTKRTIGZSA-N -1 3 388.349 3.685 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1CCCc2sccc21 ZINC000823299319 607352089 /nfs/dbraw/zinc/35/20/89/607352089.db2.gz RRQNQTPSPZAGHE-NSHDSACASA-N -1 3 391.403 3.588 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1CCCc2sccc21 ZINC000823299319 607352091 /nfs/dbraw/zinc/35/20/91/607352091.db2.gz RRQNQTPSPZAGHE-NSHDSACASA-N -1 3 391.403 3.588 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc2ccccc2c1 ZINC000738384347 598371892 /nfs/dbraw/zinc/37/18/92/598371892.db2.gz DMQLUYHPZCUHSE-KRWDZBQOSA-N -1 3 378.457 3.552 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000737146098 598372977 /nfs/dbraw/zinc/37/29/77/598372977.db2.gz FRJOCFCIJUYVDX-GOSISDBHSA-N -1 3 392.463 3.943 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000737146098 598372978 /nfs/dbraw/zinc/37/29/78/598372978.db2.gz FRJOCFCIJUYVDX-GOSISDBHSA-N -1 3 392.463 3.943 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735651891 598375492 /nfs/dbraw/zinc/37/54/92/598375492.db2.gz XZHANLQNXUKOTF-IBGZPJMESA-N -1 3 394.475 3.721 20 0 GHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735651891 598375494 /nfs/dbraw/zinc/37/54/94/598375494.db2.gz XZHANLQNXUKOTF-IBGZPJMESA-N -1 3 394.475 3.721 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736160487 598378769 /nfs/dbraw/zinc/37/87/69/598378769.db2.gz QLIFLEJAKJVNPB-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736160487 598378771 /nfs/dbraw/zinc/37/87/71/598378771.db2.gz QLIFLEJAKJVNPB-GFCCVEGCSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736201227 598382703 /nfs/dbraw/zinc/38/27/03/598382703.db2.gz WEPRBUSBGBLLJA-ZDUSSCGKSA-N -1 3 396.882 3.684 20 0 GHADHM Clc1cccc(OCCNc2ncc(-c3nnn[n-]3)cc2Cl)c1Cl ZINC000737557239 598392394 /nfs/dbraw/zinc/39/23/94/598392394.db2.gz DUOWAMHOYFIRAB-UHFFFAOYSA-N -1 3 385.642 3.713 20 0 GHADHM Clc1cccc(OCCNc2ncc(-c3nn[n-]n3)cc2Cl)c1Cl ZINC000737557239 598392395 /nfs/dbraw/zinc/39/23/95/598392395.db2.gz DUOWAMHOYFIRAB-UHFFFAOYSA-N -1 3 385.642 3.713 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000737558616 598393749 /nfs/dbraw/zinc/39/37/49/598393749.db2.gz OXPJVGVZDBKFTM-AAEUAGOBSA-N -1 3 391.660 3.646 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000737558616 598393751 /nfs/dbraw/zinc/39/37/51/598393751.db2.gz OXPJVGVZDBKFTM-AAEUAGOBSA-N -1 3 391.660 3.646 20 0 GHADHM CCn1nc(C)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1C ZINC000736727803 598395685 /nfs/dbraw/zinc/39/56/85/598395685.db2.gz GFFOZTHJMZHMJC-UHFFFAOYSA-N -1 3 399.524 3.673 20 0 GHADHM CCn1nc(C)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1C ZINC000736727803 598395687 /nfs/dbraw/zinc/39/56/87/598395687.db2.gz GFFOZTHJMZHMJC-UHFFFAOYSA-N -1 3 399.524 3.673 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000736672134 598396576 /nfs/dbraw/zinc/39/65/76/598396576.db2.gz ZJQLRFSHOVPQML-HUUCEWRRSA-N -1 3 383.477 3.550 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000736672134 598396579 /nfs/dbraw/zinc/39/65/79/598396579.db2.gz ZJQLRFSHOVPQML-HUUCEWRRSA-N -1 3 383.477 3.550 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738162912 598396893 /nfs/dbraw/zinc/39/68/93/598396893.db2.gz HOCFMXSMTPRMJM-UHFFFAOYSA-N -1 3 389.753 3.586 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738162912 598396895 /nfs/dbraw/zinc/39/68/95/598396895.db2.gz HOCFMXSMTPRMJM-UHFFFAOYSA-N -1 3 389.753 3.586 20 0 GHADHM Cc1nc(-c2ccc(OCCOc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000737463609 598403425 /nfs/dbraw/zinc/40/34/25/598403425.db2.gz WAPHCLHPLKPIMY-UHFFFAOYSA-N -1 3 379.445 3.756 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000738231353 598412230 /nfs/dbraw/zinc/41/22/30/598412230.db2.gz LRXQSOGEBUXBCU-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@H](OC1CCCC1)c1ccccc1 ZINC000738231353 598412231 /nfs/dbraw/zinc/41/22/31/598412231.db2.gz LRXQSOGEBUXBCU-LJQANCHMSA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738236902 598412452 /nfs/dbraw/zinc/41/24/52/598412452.db2.gz ULXGZRLQYQGURU-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738236902 598412454 /nfs/dbraw/zinc/41/24/54/598412454.db2.gz ULXGZRLQYQGURU-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCc1cccs1 ZINC000738177609 598419919 /nfs/dbraw/zinc/41/99/19/598419919.db2.gz ATXSOMBKLDZKQR-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCc1cccs1 ZINC000738177609 598419922 /nfs/dbraw/zinc/41/99/22/598419922.db2.gz ATXSOMBKLDZKQR-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738251819 598420430 /nfs/dbraw/zinc/42/04/30/598420430.db2.gz SEBZVJVBLTTYDF-UONOGXRCSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738251819 598420431 /nfs/dbraw/zinc/42/04/31/598420431.db2.gz SEBZVJVBLTTYDF-UONOGXRCSA-N -1 3 375.215 3.883 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737152942 598421104 /nfs/dbraw/zinc/42/11/04/598421104.db2.gz MYZBJYVIWVCUKA-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737152942 598421106 /nfs/dbraw/zinc/42/11/06/598421106.db2.gz MYZBJYVIWVCUKA-GFCCVEGCSA-N -1 3 385.855 3.736 20 0 GHADHM CC(C)OC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000735895508 598426790 /nfs/dbraw/zinc/42/67/90/598426790.db2.gz WXPCKLIMQYEXOA-UHFFFAOYSA-N -1 3 390.850 3.601 20 0 GHADHM CC(C)OC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000735895508 598426792 /nfs/dbraw/zinc/42/67/92/598426792.db2.gz WXPCKLIMQYEXOA-UHFFFAOYSA-N -1 3 390.850 3.601 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1sccc1SC(F)F ZINC000738235834 598432127 /nfs/dbraw/zinc/43/21/27/598432127.db2.gz AVHDRUQZZUFFBN-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1sccc1SC(F)F ZINC000738235834 598432130 /nfs/dbraw/zinc/43/21/30/598432130.db2.gz AVHDRUQZZUFFBN-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(C)c1OC(F)F ZINC000737236447 598436955 /nfs/dbraw/zinc/43/69/55/598436955.db2.gz LBQWJCQGJYYAAY-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(C)c1OC(F)F ZINC000737236447 598436957 /nfs/dbraw/zinc/43/69/57/598436957.db2.gz LBQWJCQGJYYAAY-UHFFFAOYSA-N -1 3 393.781 3.991 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)c(C)c1 ZINC000737244687 598437244 /nfs/dbraw/zinc/43/72/44/598437244.db2.gz JWKHAEFVCJTLBN-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)c(C)c1 ZINC000737244687 598437245 /nfs/dbraw/zinc/43/72/45/598437245.db2.gz JWKHAEFVCJTLBN-UHFFFAOYSA-N -1 3 391.460 3.563 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000738251460 598441770 /nfs/dbraw/zinc/44/17/70/598441770.db2.gz OWBJWFTVZHQEEC-UHFFFAOYSA-N -1 3 383.820 3.863 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(-c2ccccc2C)n1 ZINC000737294866 598444728 /nfs/dbraw/zinc/44/47/28/598444728.db2.gz RPNXAXWRBVMMDB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(-c2ccccc2C)n1 ZINC000737294866 598444730 /nfs/dbraw/zinc/44/47/30/598444730.db2.gz RPNXAXWRBVMMDB-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM O=C(Nc1ccc(CCCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738159290 598453386 /nfs/dbraw/zinc/45/33/86/598453386.db2.gz NIXFLCUQGCEENM-UHFFFAOYSA-N -1 3 384.443 3.689 20 0 GHADHM O=C(Nc1ccc(CCCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738159290 598453387 /nfs/dbraw/zinc/45/33/87/598453387.db2.gz NIXFLCUQGCEENM-UHFFFAOYSA-N -1 3 384.443 3.689 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738099597 598454923 /nfs/dbraw/zinc/45/49/23/598454923.db2.gz HGALZCOTFCUGLZ-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000738099597 598454925 /nfs/dbraw/zinc/45/49/25/598454925.db2.gz HGALZCOTFCUGLZ-MOPGFXCFSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000738099602 598455092 /nfs/dbraw/zinc/45/50/92/598455092.db2.gz HGALZCOTFCUGLZ-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000738099602 598455093 /nfs/dbraw/zinc/45/50/93/598455093.db2.gz HGALZCOTFCUGLZ-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM Cc1cc(C)c(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(C)c1 ZINC000737247034 598480258 /nfs/dbraw/zinc/48/02/58/598480258.db2.gz RSXMVTGPGCRTCZ-UHFFFAOYSA-N -1 3 390.491 3.666 20 0 GHADHM Cc1cc(C)c(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C)c1 ZINC000737247034 598480259 /nfs/dbraw/zinc/48/02/59/598480259.db2.gz RSXMVTGPGCRTCZ-UHFFFAOYSA-N -1 3 390.491 3.666 20 0 GHADHM C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156448 598487551 /nfs/dbraw/zinc/48/75/51/598487551.db2.gz WFGGFXFKEMTUPP-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156448 598487552 /nfs/dbraw/zinc/48/75/52/598487552.db2.gz WFGGFXFKEMTUPP-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736303710 598489624 /nfs/dbraw/zinc/48/96/24/598489624.db2.gz KCEHTOXVTUAFKF-SDQPKGBYSA-N -1 3 394.431 3.592 20 0 GHADHM C/C=C\c1ccc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736303710 598489625 /nfs/dbraw/zinc/48/96/25/598489625.db2.gz KCEHTOXVTUAFKF-SDQPKGBYSA-N -1 3 394.431 3.592 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737257600 598492324 /nfs/dbraw/zinc/49/23/24/598492324.db2.gz XCAIVOYURRGKMQ-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737257600 598492325 /nfs/dbraw/zinc/49/23/25/598492325.db2.gz XCAIVOYURRGKMQ-HNNXBMFYSA-N -1 3 388.431 3.587 20 0 GHADHM Cc1ccc(N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C2CCCCC2)nc1 ZINC000737347338 598495095 /nfs/dbraw/zinc/49/50/95/598495095.db2.gz MUUHBNXBGXZGAG-OWBHPGMISA-N -1 3 388.475 3.949 20 0 GHADHM Cc1ccc(N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C2CCCCC2)nc1 ZINC000737347338 598495097 /nfs/dbraw/zinc/49/50/97/598495097.db2.gz MUUHBNXBGXZGAG-OWBHPGMISA-N -1 3 388.475 3.949 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737824522 598495466 /nfs/dbraw/zinc/49/54/66/598495466.db2.gz WWJHFXGITFWFBV-CYBMUJFWSA-N -1 3 399.401 3.917 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737824522 598495467 /nfs/dbraw/zinc/49/54/67/598495467.db2.gz WWJHFXGITFWFBV-CYBMUJFWSA-N -1 3 399.401 3.917 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737953791 598497506 /nfs/dbraw/zinc/49/75/06/598497506.db2.gz BEMBIHJKWMGHLV-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737953791 598497508 /nfs/dbraw/zinc/49/75/08/598497508.db2.gz BEMBIHJKWMGHLV-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(CSc1ccnc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737947792 598504488 /nfs/dbraw/zinc/50/44/88/598504488.db2.gz OUKNTRVKQPONQS-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM O=C(CSc1ccnc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737947792 598504491 /nfs/dbraw/zinc/50/44/91/598504491.db2.gz OUKNTRVKQPONQS-UHFFFAOYSA-N -1 3 396.863 3.799 20 0 GHADHM CCSc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cn1 ZINC000736665284 598514083 /nfs/dbraw/zinc/51/40/83/598514083.db2.gz GSIXPIQOHPOCFN-UHFFFAOYSA-N -1 3 386.506 3.566 20 0 GHADHM CCSc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cn1 ZINC000736665284 598514085 /nfs/dbraw/zinc/51/40/85/598514085.db2.gz GSIXPIQOHPOCFN-UHFFFAOYSA-N -1 3 386.506 3.566 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250504 598514375 /nfs/dbraw/zinc/51/43/75/598514375.db2.gz HOGCSQJCXNTJCD-QWHCGFSZSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000738250504 598514378 /nfs/dbraw/zinc/51/43/78/598514378.db2.gz HOGCSQJCXNTJCD-QWHCGFSZSA-N -1 3 375.215 3.883 20 0 GHADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736239824 598532740 /nfs/dbraw/zinc/53/27/40/598532740.db2.gz UHGQHZCMNOKLPN-ZUZCIYMTSA-N -1 3 384.827 3.842 20 0 GHADHM C[C@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736239824 598532742 /nfs/dbraw/zinc/53/27/42/598532742.db2.gz UHGQHZCMNOKLPN-ZUZCIYMTSA-N -1 3 384.827 3.842 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182768 598535010 /nfs/dbraw/zinc/53/50/10/598535010.db2.gz SZQHRVYFLJGSHL-ZDUSSCGKSA-N -1 3 382.493 3.655 20 0 GHADHM CSCCc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182768 598535012 /nfs/dbraw/zinc/53/50/12/598535012.db2.gz SZQHRVYFLJGSHL-ZDUSSCGKSA-N -1 3 382.493 3.655 20 0 GHADHM CC[C@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736328637 598537714 /nfs/dbraw/zinc/53/77/14/598537714.db2.gz XMSJIGUGNYGOHA-ZDUSSCGKSA-N -1 3 382.493 3.531 20 0 GHADHM CC[C@H](C)NC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736328637 598537716 /nfs/dbraw/zinc/53/77/16/598537716.db2.gz XMSJIGUGNYGOHA-ZDUSSCGKSA-N -1 3 382.493 3.531 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000737322743 598539561 /nfs/dbraw/zinc/53/95/61/598539561.db2.gz MUBYEBWHDYUYON-GFCCVEGCSA-N -1 3 381.505 3.851 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000737322743 598539562 /nfs/dbraw/zinc/53/95/62/598539562.db2.gz MUBYEBWHDYUYON-GFCCVEGCSA-N -1 3 381.505 3.851 20 0 GHADHM Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737391329 598539741 /nfs/dbraw/zinc/53/97/41/598539741.db2.gz XRRLFMAIWIUMEF-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM CC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCCC1 ZINC000736216958 598543138 /nfs/dbraw/zinc/54/31/38/598543138.db2.gz OMGUIHGJJNWUGG-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM CC1(CNC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCCC1 ZINC000736216958 598543139 /nfs/dbraw/zinc/54/31/39/598543139.db2.gz OMGUIHGJJNWUGG-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110631 598543211 /nfs/dbraw/zinc/54/32/11/598543211.db2.gz IOKWABMQOLAIAV-HZPDHXFCSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110631 598543212 /nfs/dbraw/zinc/54/32/12/598543212.db2.gz IOKWABMQOLAIAV-HZPDHXFCSA-N -1 3 390.491 3.938 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1F ZINC000735975313 598543424 /nfs/dbraw/zinc/54/34/24/598543424.db2.gz KYBAZJLEHNYYMH-JTQLQIEISA-N -1 3 391.353 3.740 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1F ZINC000735975313 598543425 /nfs/dbraw/zinc/54/34/25/598543425.db2.gz KYBAZJLEHNYYMH-JTQLQIEISA-N -1 3 391.353 3.740 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737555902 598544200 /nfs/dbraw/zinc/54/42/00/598544200.db2.gz BBRNOAQRBVCXHU-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1occc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737555902 598544201 /nfs/dbraw/zinc/54/42/01/598544201.db2.gz BBRNOAQRBVCXHU-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cccc(F)c1 ZINC000738172443 598544438 /nfs/dbraw/zinc/54/44/38/598544438.db2.gz LYIVSPYKJWPPDT-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cccc(F)c1 ZINC000738172443 598544440 /nfs/dbraw/zinc/54/44/40/598544440.db2.gz LYIVSPYKJWPPDT-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CC(C)Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000735850137 598546601 /nfs/dbraw/zinc/54/66/01/598546601.db2.gz OXFQTSUYTYZLGR-UHFFFAOYSA-N -1 3 387.390 3.919 20 0 GHADHM CC(C)Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000735850137 598546602 /nfs/dbraw/zinc/54/66/02/598546602.db2.gz OXFQTSUYTYZLGR-UHFFFAOYSA-N -1 3 387.390 3.919 20 0 GHADHM O=C(C=Cc1ccccc1Cl)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737801173 598546902 /nfs/dbraw/zinc/54/69/02/598546902.db2.gz MMPFTALQWYOQJK-VURMDHGXSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(C=Cc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737801173 598546905 /nfs/dbraw/zinc/54/69/05/598546905.db2.gz MMPFTALQWYOQJK-VURMDHGXSA-N -1 3 391.765 3.773 20 0 GHADHM FC(F)(F)CNC(=S)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737628973 598552062 /nfs/dbraw/zinc/55/20/62/598552062.db2.gz YWFDWHWNQLHMJH-UHFFFAOYSA-N -1 3 394.382 3.508 20 0 GHADHM FC(F)(F)CNC(=S)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737628973 598552064 /nfs/dbraw/zinc/55/20/64/598552064.db2.gz YWFDWHWNQLHMJH-UHFFFAOYSA-N -1 3 394.382 3.508 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736558245 598560603 /nfs/dbraw/zinc/56/06/03/598560603.db2.gz GFVCBTSEHIHTPP-UHFFFAOYSA-N -1 3 388.378 3.522 20 0 GHADHM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736558245 598560604 /nfs/dbraw/zinc/56/06/04/598560604.db2.gz GFVCBTSEHIHTPP-UHFFFAOYSA-N -1 3 388.378 3.522 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(Cl)ccc1F ZINC000736626322 598560651 /nfs/dbraw/zinc/56/06/51/598560651.db2.gz GKMTXBXPGYZNPO-UHFFFAOYSA-N -1 3 397.193 3.931 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(Cl)ccc1F ZINC000736626322 598560653 /nfs/dbraw/zinc/56/06/53/598560653.db2.gz GKMTXBXPGYZNPO-UHFFFAOYSA-N -1 3 397.193 3.931 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736399452 598562072 /nfs/dbraw/zinc/56/20/72/598562072.db2.gz GUMDXXLQBZPUSY-ZYHUDNBSSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736399452 598562074 /nfs/dbraw/zinc/56/20/74/598562074.db2.gz GUMDXXLQBZPUSY-ZYHUDNBSSA-N -1 3 380.399 3.558 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736481713 598568267 /nfs/dbraw/zinc/56/82/67/598568267.db2.gz ZRAHKLUXSMPRCR-IAGOWNOFSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000736481713 598568268 /nfs/dbraw/zinc/56/82/68/598568268.db2.gz ZRAHKLUXSMPRCR-IAGOWNOFSA-N -1 3 397.429 3.687 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738144425 598568437 /nfs/dbraw/zinc/56/84/37/598568437.db2.gz LYQXHIFNUQDDTO-NWDGAFQWSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738144425 598568439 /nfs/dbraw/zinc/56/84/39/598568439.db2.gz LYQXHIFNUQDDTO-NWDGAFQWSA-N -1 3 375.766 3.541 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000735915988 598574241 /nfs/dbraw/zinc/57/42/41/598574241.db2.gz XNAUMPBUTVZZQL-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000735915988 598574243 /nfs/dbraw/zinc/57/42/43/598574243.db2.gz XNAUMPBUTVZZQL-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000738385242 598575666 /nfs/dbraw/zinc/57/56/66/598575666.db2.gz XIJAGECZVMAVNF-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000738385242 598575667 /nfs/dbraw/zinc/57/56/67/598575667.db2.gz XIJAGECZVMAVNF-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Clc1cccc(Cc2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737574398 598581996 /nfs/dbraw/zinc/58/19/96/598581996.db2.gz JUYFAHCKKACGPP-UHFFFAOYSA-N -1 3 398.879 3.927 20 0 GHADHM Clc1cccc(Cc2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737574398 598581998 /nfs/dbraw/zinc/58/19/98/598581998.db2.gz JUYFAHCKKACGPP-UHFFFAOYSA-N -1 3 398.879 3.927 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000735906784 598582528 /nfs/dbraw/zinc/58/25/28/598582528.db2.gz WRASRIRBDNKIJI-ZDUSSCGKSA-N -1 3 396.451 3.584 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000735906784 598582530 /nfs/dbraw/zinc/58/25/30/598582530.db2.gz WRASRIRBDNKIJI-ZDUSSCGKSA-N -1 3 396.451 3.584 20 0 GHADHM CCC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736315469 598591852 /nfs/dbraw/zinc/59/18/52/598591852.db2.gz ZIAGSBNTDYYTME-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM CCC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736315469 598591853 /nfs/dbraw/zinc/59/18/53/598591853.db2.gz ZIAGSBNTDYYTME-UHFFFAOYSA-N -1 3 383.427 3.960 20 0 GHADHM O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738213254 598608146 /nfs/dbraw/zinc/60/81/46/598608146.db2.gz GSTGCOBGRNHPAR-GOSISDBHSA-N -1 3 381.411 3.879 20 0 GHADHM O=C(O[C@@H](c1cncc(F)c1)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738213254 598608148 /nfs/dbraw/zinc/60/81/48/598608148.db2.gz GSTGCOBGRNHPAR-GOSISDBHSA-N -1 3 381.411 3.879 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(CCCc2ccccc2)no1 ZINC000736186829 598610794 /nfs/dbraw/zinc/61/07/94/598610794.db2.gz DGCNYOFSXCBLIF-CQSZACIVSA-N -1 3 376.420 3.565 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(CCCc2ccccc2)no1 ZINC000736186829 598610795 /nfs/dbraw/zinc/61/07/95/598610795.db2.gz DGCNYOFSXCBLIF-CQSZACIVSA-N -1 3 376.420 3.565 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000738164090 598631917 /nfs/dbraw/zinc/63/19/17/598631917.db2.gz XOEKOZNEEWWBSK-UHFFFAOYSA-N -1 3 398.423 3.895 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000738164090 598631919 /nfs/dbraw/zinc/63/19/19/598631919.db2.gz XOEKOZNEEWWBSK-UHFFFAOYSA-N -1 3 398.423 3.895 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc2c1CCCC2 ZINC000737832731 598645413 /nfs/dbraw/zinc/64/54/13/598645413.db2.gz KUAGEHCCOSYRMU-UHFFFAOYSA-N -1 3 391.475 3.933 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc2c1CCCC2 ZINC000737832731 598645415 /nfs/dbraw/zinc/64/54/15/598645415.db2.gz KUAGEHCCOSYRMU-UHFFFAOYSA-N -1 3 391.475 3.933 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)c(F)c3)c2-c2nnn[n-]2)C1 ZINC000736278226 598647290 /nfs/dbraw/zinc/64/72/90/598647290.db2.gz FVDRHTQGLAZVNK-SSDOTTSWSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)c(F)c3)c2-c2nn[n-]n2)C1 ZINC000736278226 598647291 /nfs/dbraw/zinc/64/72/91/598647291.db2.gz FVDRHTQGLAZVNK-SSDOTTSWSA-N -1 3 393.394 3.723 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000736282298 598648019 /nfs/dbraw/zinc/64/80/19/598648019.db2.gz XIFVAQOABDPGCV-MRXNPFEDSA-N -1 3 391.475 3.562 20 0 GHADHM C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000736282298 598648021 /nfs/dbraw/zinc/64/80/21/598648021.db2.gz XIFVAQOABDPGCV-MRXNPFEDSA-N -1 3 391.475 3.562 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cscn1 ZINC000737271098 598652976 /nfs/dbraw/zinc/65/29/76/598652976.db2.gz REUHUUKSRLJVPT-UHFFFAOYSA-N -1 3 394.435 3.618 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cscn1 ZINC000737271098 598652978 /nfs/dbraw/zinc/65/29/78/598652978.db2.gz REUHUUKSRLJVPT-UHFFFAOYSA-N -1 3 394.435 3.618 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000737831775 598653661 /nfs/dbraw/zinc/65/36/61/598653661.db2.gz DQSAPUIFCKXURB-GOSISDBHSA-N -1 3 397.504 3.841 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000737831775 598653663 /nfs/dbraw/zinc/65/36/63/598653663.db2.gz DQSAPUIFCKXURB-GOSISDBHSA-N -1 3 397.504 3.841 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000736733555 598656399 /nfs/dbraw/zinc/65/63/99/598656399.db2.gz UOFSDAGIQUPALJ-UHFFFAOYSA-N -1 3 385.512 3.987 20 0 GHADHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000736733555 598656401 /nfs/dbraw/zinc/65/64/01/598656401.db2.gz UOFSDAGIQUPALJ-UHFFFAOYSA-N -1 3 385.512 3.987 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@H]1C ZINC000736502578 598657310 /nfs/dbraw/zinc/65/73/10/598657310.db2.gz OCKMBEQZZMAVRY-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@H]1C ZINC000736502578 598657313 /nfs/dbraw/zinc/65/73/13/598657313.db2.gz OCKMBEQZZMAVRY-VQIMIIECSA-N -1 3 385.512 3.843 20 0 GHADHM CSCCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737183361 598658685 /nfs/dbraw/zinc/65/86/85/598658685.db2.gz ZTCYOBCBDAYQPP-UHFFFAOYSA-N -1 3 385.518 3.503 20 0 GHADHM CSCCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737183361 598658688 /nfs/dbraw/zinc/65/86/88/598658688.db2.gz ZTCYOBCBDAYQPP-UHFFFAOYSA-N -1 3 385.518 3.503 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737809871 598660736 /nfs/dbraw/zinc/66/07/36/598660736.db2.gz UYARYOVZBSFKJW-CYBMUJFWSA-N -1 3 379.317 3.681 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737809871 598660738 /nfs/dbraw/zinc/66/07/38/598660738.db2.gz UYARYOVZBSFKJW-CYBMUJFWSA-N -1 3 379.317 3.681 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736121912 598664196 /nfs/dbraw/zinc/66/41/96/598664196.db2.gz FTNPHCIICIGYFT-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736121912 598664198 /nfs/dbraw/zinc/66/41/98/598664198.db2.gz FTNPHCIICIGYFT-AWEZNQCLSA-N -1 3 386.415 3.545 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000738381052 598666337 /nfs/dbraw/zinc/66/63/37/598666337.db2.gz FWRYSIRKRFDNFN-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000738381052 598666339 /nfs/dbraw/zinc/66/63/39/598666339.db2.gz FWRYSIRKRFDNFN-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)C(C)(C)C ZINC000737362814 598700659 /nfs/dbraw/zinc/70/06/59/598700659.db2.gz YDGIOALPPHDUKJ-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737850239 598702455 /nfs/dbraw/zinc/70/24/55/598702455.db2.gz OLHOOZOIFZPJKO-UHFFFAOYSA-N -1 3 392.843 3.885 20 0 GHADHM O=C(CCSc1ccc(Cl)cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737850239 598702456 /nfs/dbraw/zinc/70/24/56/598702456.db2.gz OLHOOZOIFZPJKO-UHFFFAOYSA-N -1 3 392.843 3.885 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)C(C)(C)C ZINC000737358890 598715952 /nfs/dbraw/zinc/71/59/52/598715952.db2.gz AYXCVDCSFQVPLF-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM Cc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)C(C)(C)C ZINC000737358890 598715954 /nfs/dbraw/zinc/71/59/54/598715954.db2.gz AYXCVDCSFQVPLF-UHFFFAOYSA-N -1 3 393.451 3.804 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112524 598716145 /nfs/dbraw/zinc/71/61/45/598716145.db2.gz IZEARTLBSRKLSO-GDIGMMSISA-N -1 3 376.464 3.563 20 0 GHADHM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112524 598716147 /nfs/dbraw/zinc/71/61/47/598716147.db2.gz IZEARTLBSRKLSO-GDIGMMSISA-N -1 3 376.464 3.563 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737075137 598729296 /nfs/dbraw/zinc/72/92/96/598729296.db2.gz KXYSCNBJCSDXCY-VPUINMBXSA-N -1 3 384.823 3.846 20 0 GHADHM COc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737075137 598729298 /nfs/dbraw/zinc/72/92/98/598729298.db2.gz KXYSCNBJCSDXCY-VPUINMBXSA-N -1 3 384.823 3.846 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cnc(-c2ccco2)s1 ZINC000738211738 598734958 /nfs/dbraw/zinc/73/49/58/598734958.db2.gz SSJKIPXITBUECF-UHFFFAOYSA-N -1 3 398.473 3.776 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cnc(-c2ccco2)s1 ZINC000738211738 598734959 /nfs/dbraw/zinc/73/49/59/598734959.db2.gz SSJKIPXITBUECF-UHFFFAOYSA-N -1 3 398.473 3.776 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736664708 598745362 /nfs/dbraw/zinc/74/53/62/598745362.db2.gz CLCKVRYELMXXQB-UONOGXRCSA-N -1 3 397.504 3.623 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736664708 598745364 /nfs/dbraw/zinc/74/53/64/598745364.db2.gz CLCKVRYELMXXQB-UONOGXRCSA-N -1 3 397.504 3.623 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000736638224 598781736 /nfs/dbraw/zinc/78/17/36/598781736.db2.gz YFJSERPONIIBBV-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000736638224 598781738 /nfs/dbraw/zinc/78/17/38/598781738.db2.gz YFJSERPONIIBBV-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000735829324 598790131 /nfs/dbraw/zinc/79/01/31/598790131.db2.gz HUVSMNKTBLDEJC-FQEVSTJZSA-N -1 3 375.476 3.581 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000735829324 598790133 /nfs/dbraw/zinc/79/01/33/598790133.db2.gz HUVSMNKTBLDEJC-FQEVSTJZSA-N -1 3 375.476 3.581 20 0 GHADHM Cc1sc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000737563676 598790420 /nfs/dbraw/zinc/79/04/20/598790420.db2.gz RMLIKOZDCQMTDO-UHFFFAOYSA-N -1 3 391.884 3.995 20 0 GHADHM Cc1sc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000737563676 598790421 /nfs/dbraw/zinc/79/04/21/598790421.db2.gz RMLIKOZDCQMTDO-UHFFFAOYSA-N -1 3 391.884 3.995 20 0 GHADHM O=C(Nc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000738157832 598792371 /nfs/dbraw/zinc/79/23/71/598792371.db2.gz BPNBRDIKAGDWLO-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(Nc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000738157832 598792372 /nfs/dbraw/zinc/79/23/72/598792372.db2.gz BPNBRDIKAGDWLO-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM Clc1ccc(NCc2ccc(N3CCCCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000737575499 598793830 /nfs/dbraw/zinc/79/38/30/598793830.db2.gz WCSIQPGJZPEWIE-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM Clc1ccc(NCc2ccc(N3CCCCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000737575499 598793832 /nfs/dbraw/zinc/79/38/32/598793832.db2.gz WCSIQPGJZPEWIE-UHFFFAOYSA-N -1 3 383.887 3.908 20 0 GHADHM CC(C)[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735699574 598804917 /nfs/dbraw/zinc/80/49/17/598804917.db2.gz ADTUEHZYIOWSIQ-CYBMUJFWSA-N -1 3 383.427 3.815 20 0 GHADHM CC(C)[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735699574 598804919 /nfs/dbraw/zinc/80/49/19/598804919.db2.gz ADTUEHZYIOWSIQ-CYBMUJFWSA-N -1 3 383.427 3.815 20 0 GHADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000738195666 598808360 /nfs/dbraw/zinc/80/83/60/598808360.db2.gz PFSRNPDISAQCSQ-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM c1ccc2c(c1)oc1c2ncnc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738441750 598815843 /nfs/dbraw/zinc/81/58/43/598815843.db2.gz MJRGFZZYWSPYQI-UHFFFAOYSA-N -1 3 383.415 3.725 20 0 GHADHM c1ccc2c(c1)oc1c2ncnc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738441750 598815845 /nfs/dbraw/zinc/81/58/45/598815845.db2.gz MJRGFZZYWSPYQI-UHFFFAOYSA-N -1 3 383.415 3.725 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)c1cocn1 ZINC000738171193 598819239 /nfs/dbraw/zinc/81/92/39/598819239.db2.gz FQGIAVLHVDLLNM-UHFFFAOYSA-N -1 3 382.767 3.553 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735733520 598822471 /nfs/dbraw/zinc/82/24/71/598822471.db2.gz BDSJCTNHGZQWDU-IBGZPJMESA-N -1 3 399.882 3.755 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735902984 599300239 /nfs/dbraw/zinc/30/02/39/599300239.db2.gz BWEWEUBJEJTSBF-KHPPLWFESA-N -1 3 383.839 3.959 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735902984 599300242 /nfs/dbraw/zinc/30/02/42/599300242.db2.gz BWEWEUBJEJTSBF-KHPPLWFESA-N -1 3 383.839 3.959 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737337022 599303506 /nfs/dbraw/zinc/30/35/06/599303506.db2.gz CIBIYCLZDJKBLU-UHFFFAOYSA-N -1 3 387.443 3.653 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737337022 599303508 /nfs/dbraw/zinc/30/35/08/599303508.db2.gz CIBIYCLZDJKBLU-UHFFFAOYSA-N -1 3 387.443 3.653 20 0 GHADHM Cc1nc(-c2ccc(CNc3nc(C)cc(C)c3-c3nnn[n-]3)s2)cs1 ZINC000822193364 599319093 /nfs/dbraw/zinc/31/90/93/599319093.db2.gz UWLYXAUGDVPXFA-UHFFFAOYSA-N -1 3 383.506 3.984 20 0 GHADHM Cc1nc(-c2ccc(CNc3nc(C)cc(C)c3-c3nn[n-]n3)s2)cs1 ZINC000822193364 599319095 /nfs/dbraw/zinc/31/90/95/599319095.db2.gz UWLYXAUGDVPXFA-UHFFFAOYSA-N -1 3 383.506 3.984 20 0 GHADHM COC(=O)c1ccc(OC(C)C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736948107 599326655 /nfs/dbraw/zinc/32/66/55/599326655.db2.gz GVBTYIVPFLALAS-CYBMUJFWSA-N -1 3 381.436 3.614 20 0 GHADHM COC(=O)c1ccc(OC(C)C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736948107 599326657 /nfs/dbraw/zinc/32/66/57/599326657.db2.gz GVBTYIVPFLALAS-CYBMUJFWSA-N -1 3 381.436 3.614 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191048 599330349 /nfs/dbraw/zinc/33/03/49/599330349.db2.gz VKUOHOAPTQGAEJ-ZURLZEQWSA-N -1 3 387.553 3.990 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191048 599330351 /nfs/dbraw/zinc/33/03/51/599330351.db2.gz VKUOHOAPTQGAEJ-ZURLZEQWSA-N -1 3 387.553 3.990 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191043 599330420 /nfs/dbraw/zinc/33/04/20/599330420.db2.gz VKUOHOAPTQGAEJ-CIBFVHANSA-N -1 3 387.553 3.990 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191043 599330422 /nfs/dbraw/zinc/33/04/22/599330422.db2.gz VKUOHOAPTQGAEJ-CIBFVHANSA-N -1 3 387.553 3.990 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000821159457 599337453 /nfs/dbraw/zinc/33/74/53/599337453.db2.gz BXHRMCCBCFASNX-HNNXBMFYSA-N -1 3 399.520 3.762 20 0 GHADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000821159457 599337455 /nfs/dbraw/zinc/33/74/55/599337455.db2.gz BXHRMCCBCFASNX-HNNXBMFYSA-N -1 3 399.520 3.762 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000736169837 599341362 /nfs/dbraw/zinc/34/13/62/599341362.db2.gz PTTQMEJSCSJBQS-NSHDSACASA-N -1 3 399.476 3.563 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737380182 599343806 /nfs/dbraw/zinc/34/38/06/599343806.db2.gz MPLQCIVIKZOLDC-IBGZPJMESA-N -1 3 399.458 3.543 20 0 GHADHM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737380182 599343809 /nfs/dbraw/zinc/34/38/09/599343809.db2.gz MPLQCIVIKZOLDC-IBGZPJMESA-N -1 3 399.458 3.543 20 0 GHADHM COc1ccc(C2=NC[C@H](CSc3ccccc3-c3nnn[n-]3)S2)cc1 ZINC000821782300 599345158 /nfs/dbraw/zinc/34/51/58/599345158.db2.gz CTGYQVWEYIVHJU-CQSZACIVSA-N -1 3 383.502 3.530 20 0 GHADHM COc1ccc(C2=NC[C@H](CSc3ccccc3-c3nn[n-]n3)S2)cc1 ZINC000821782300 599345161 /nfs/dbraw/zinc/34/51/61/599345161.db2.gz CTGYQVWEYIVHJU-CQSZACIVSA-N -1 3 383.502 3.530 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738199243 599345219 /nfs/dbraw/zinc/34/52/19/599345219.db2.gz VBRTXOMCUWWVBB-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccsc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738199243 599345221 /nfs/dbraw/zinc/34/52/21/599345221.db2.gz VBRTXOMCUWWVBB-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000820218937 599345997 /nfs/dbraw/zinc/34/59/97/599345997.db2.gz BHVPYJPNHVVSLR-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000820218937 599346000 /nfs/dbraw/zinc/34/60/00/599346000.db2.gz BHVPYJPNHVVSLR-HNNXBMFYSA-N -1 3 393.516 3.786 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820555834 599347157 /nfs/dbraw/zinc/34/71/57/599347157.db2.gz QAFOXGFQWAYYTJ-JSGCOSHPSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000820555834 599347159 /nfs/dbraw/zinc/34/71/59/599347159.db2.gz QAFOXGFQWAYYTJ-JSGCOSHPSA-N -1 3 385.518 3.773 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000823070735 599350742 /nfs/dbraw/zinc/35/07/42/599350742.db2.gz LOMVHLCGHVLEKJ-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1cccc(C(F)(F)F)c1 ZINC000823070735 599350744 /nfs/dbraw/zinc/35/07/44/599350744.db2.gz LOMVHLCGHVLEKJ-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc2occc2s1 ZINC000737027142 599372140 /nfs/dbraw/zinc/37/21/40/599372140.db2.gz YSTRHOBXXVBIIB-UHFFFAOYSA-N -1 3 376.781 3.556 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc2occc2s1 ZINC000737027142 599372143 /nfs/dbraw/zinc/37/21/43/599372143.db2.gz YSTRHOBXXVBIIB-UHFFFAOYSA-N -1 3 376.781 3.556 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1ccc(Cl)cn1 ZINC000738176207 599373406 /nfs/dbraw/zinc/37/34/06/599373406.db2.gz VFTLQLBSPSTUIM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1ccc(Cl)cn1 ZINC000738176207 599373409 /nfs/dbraw/zinc/37/34/09/599373409.db2.gz VFTLQLBSPSTUIM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C/C=C/c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(OC)c1 ZINC000820832848 599381627 /nfs/dbraw/zinc/38/16/27/599381627.db2.gz ORSGJLYIVJUPMS-HWKANZROSA-N -1 3 390.403 3.537 20 0 GHADHM C/C=C/c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(OC)c1 ZINC000820832848 599381630 /nfs/dbraw/zinc/38/16/30/599381630.db2.gz ORSGJLYIVJUPMS-HWKANZROSA-N -1 3 390.403 3.537 20 0 GHADHM C/C=C/c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(OC)c1 ZINC000820831949 599381705 /nfs/dbraw/zinc/38/17/05/599381705.db2.gz FLEHSFDHFXWGQY-ONEGZZNKSA-N -1 3 390.403 3.537 20 0 GHADHM C/C=C/c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(OC)c1 ZINC000820831949 599381707 /nfs/dbraw/zinc/38/17/07/599381707.db2.gz FLEHSFDHFXWGQY-ONEGZZNKSA-N -1 3 390.403 3.537 20 0 GHADHM CC(C)Oc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1-c1nnn[n-]1 ZINC000820173390 607373476 /nfs/dbraw/zinc/37/34/76/607373476.db2.gz DBILVTLORAIUBR-UHFFFAOYSA-N -1 3 394.479 3.507 20 0 GHADHM CC(C)Oc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1-c1nn[n-]n1 ZINC000820173390 607373478 /nfs/dbraw/zinc/37/34/78/607373478.db2.gz DBILVTLORAIUBR-UHFFFAOYSA-N -1 3 394.479 3.507 20 0 GHADHM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820359760 599408275 /nfs/dbraw/zinc/40/82/75/599408275.db2.gz VGTUNAJWXPRADN-HNAYVOBHSA-N -1 3 378.480 3.667 20 0 GHADHM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820359760 599408279 /nfs/dbraw/zinc/40/82/79/599408279.db2.gz VGTUNAJWXPRADN-HNAYVOBHSA-N -1 3 378.480 3.667 20 0 GHADHM CCOCCOCc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736624644 599409773 /nfs/dbraw/zinc/40/97/73/599409773.db2.gz BUPIZESHLVEGKT-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM CCOCCOCc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736624644 599409776 /nfs/dbraw/zinc/40/97/76/599409776.db2.gz BUPIZESHLVEGKT-UHFFFAOYSA-N -1 3 387.871 3.685 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C2SCCS2)cc1 ZINC000821749544 607375994 /nfs/dbraw/zinc/37/59/94/607375994.db2.gz RAOKPNOTLNMHDQ-UHFFFAOYSA-N -1 3 386.502 3.933 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C2SCCS2)cc1 ZINC000821749544 607375996 /nfs/dbraw/zinc/37/59/96/607375996.db2.gz RAOKPNOTLNMHDQ-UHFFFAOYSA-N -1 3 386.502 3.933 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357076 599430116 /nfs/dbraw/zinc/43/01/16/599430116.db2.gz DRELELHXYVBBHX-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357076 599430119 /nfs/dbraw/zinc/43/01/19/599430119.db2.gz DRELELHXYVBBHX-ZDUSSCGKSA-N -1 3 396.882 3.612 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358820 599436639 /nfs/dbraw/zinc/43/66/39/599436639.db2.gz OXWGXPBWXANCFN-YJYMSZOUSA-N -1 3 394.454 3.907 20 0 GHADHM C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358820 599436642 /nfs/dbraw/zinc/43/66/42/599436642.db2.gz OXWGXPBWXANCFN-YJYMSZOUSA-N -1 3 394.454 3.907 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC000822351848 599439966 /nfs/dbraw/zinc/43/99/66/599439966.db2.gz ROYCCFMUIYYHHF-GOSISDBHSA-N -1 3 382.443 3.511 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC000822351848 599439967 /nfs/dbraw/zinc/43/99/67/599439967.db2.gz ROYCCFMUIYYHHF-GOSISDBHSA-N -1 3 382.443 3.511 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000820348968 599440907 /nfs/dbraw/zinc/44/09/07/599440907.db2.gz GXHOLYNDIOPXNS-NWDGAFQWSA-N -1 3 393.476 3.598 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000820348968 599440908 /nfs/dbraw/zinc/44/09/08/599440908.db2.gz GXHOLYNDIOPXNS-NWDGAFQWSA-N -1 3 393.476 3.598 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736959762 599443514 /nfs/dbraw/zinc/44/35/14/599443514.db2.gz DHSJNRXSLUDNKN-XPTSAGLGSA-N -1 3 379.251 3.757 20 0 GHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736959762 599443518 /nfs/dbraw/zinc/44/35/18/599443518.db2.gz DHSJNRXSLUDNKN-XPTSAGLGSA-N -1 3 379.251 3.757 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n[nH]1 ZINC000821016033 599446023 /nfs/dbraw/zinc/44/60/23/599446023.db2.gz UYUILPDWDNMRBI-ACJLOTCBSA-N -1 3 397.483 3.536 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n[nH]1 ZINC000821016033 599446025 /nfs/dbraw/zinc/44/60/25/599446025.db2.gz UYUILPDWDNMRBI-ACJLOTCBSA-N -1 3 397.483 3.536 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149320 599455553 /nfs/dbraw/zinc/45/55/53/599455553.db2.gz VILRKZLBYZODIX-RWAHWCJQSA-N -1 3 387.487 3.680 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149320 599455555 /nfs/dbraw/zinc/45/55/55/599455555.db2.gz VILRKZLBYZODIX-RWAHWCJQSA-N -1 3 387.487 3.680 20 0 GHADHM CN(C(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741805 599465815 /nfs/dbraw/zinc/46/58/15/599465815.db2.gz SMULHRLEUKQPKD-UHFFFAOYSA-N -1 3 396.407 3.531 20 0 GHADHM CN(C(=O)c1cccc(Oc2nccs2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741805 599465817 /nfs/dbraw/zinc/46/58/17/599465817.db2.gz SMULHRLEUKQPKD-UHFFFAOYSA-N -1 3 396.407 3.531 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821175430 599471021 /nfs/dbraw/zinc/47/10/21/599471021.db2.gz MZZOFNQJTVZIFQ-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821175430 599471022 /nfs/dbraw/zinc/47/10/22/599471022.db2.gz MZZOFNQJTVZIFQ-UHFFFAOYSA-N -1 3 384.871 3.614 20 0 GHADHM CCSCC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821454122 599471274 /nfs/dbraw/zinc/47/12/74/599471274.db2.gz DDZBZHPWZCPXTE-HNNXBMFYSA-N -1 3 390.557 3.566 20 0 GHADHM CCSCC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821454122 599471276 /nfs/dbraw/zinc/47/12/76/599471276.db2.gz DDZBZHPWZCPXTE-HNNXBMFYSA-N -1 3 390.557 3.566 20 0 GHADHM C[C@@H](NC(=O)N(C)CCCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339823 599475645 /nfs/dbraw/zinc/47/56/45/599475645.db2.gz GTJYRBDIJLFLSB-MRXNPFEDSA-N -1 3 378.480 3.592 20 0 GHADHM C[C@@H](NC(=O)N(C)CCCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339823 599475647 /nfs/dbraw/zinc/47/56/47/599475647.db2.gz GTJYRBDIJLFLSB-MRXNPFEDSA-N -1 3 378.480 3.592 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913664 599477010 /nfs/dbraw/zinc/47/70/10/599477010.db2.gz IQHUUXKPZZTUOU-HNAYVOBHSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913664 599477011 /nfs/dbraw/zinc/47/70/11/599477011.db2.gz IQHUUXKPZZTUOU-HNAYVOBHSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913663 599477187 /nfs/dbraw/zinc/47/71/87/599477187.db2.gz IQHUUXKPZZTUOU-DNVCBOLYSA-N -1 3 378.480 3.590 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913663 599477189 /nfs/dbraw/zinc/47/71/89/599477189.db2.gz IQHUUXKPZZTUOU-DNVCBOLYSA-N -1 3 378.480 3.590 20 0 GHADHM c1ccc(OCC2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000823791281 599491808 /nfs/dbraw/zinc/49/18/08/599491808.db2.gz ALRRPTKATARELA-UHFFFAOYSA-N -1 3 386.459 3.710 20 0 GHADHM c1ccc(OCC2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000823791281 599491810 /nfs/dbraw/zinc/49/18/10/599491810.db2.gz ALRRPTKATARELA-UHFFFAOYSA-N -1 3 386.459 3.710 20 0 GHADHM Cc1ccc(C)n1C1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000822332434 599509327 /nfs/dbraw/zinc/50/93/27/599509327.db2.gz PXZZPQLXJPBZJF-UHFFFAOYSA-N -1 3 387.491 3.983 20 0 GHADHM Cc1ccc(C)n1C1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CC1 ZINC000822332434 599509329 /nfs/dbraw/zinc/50/93/29/599509329.db2.gz PXZZPQLXJPBZJF-UHFFFAOYSA-N -1 3 387.491 3.983 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397789 599528842 /nfs/dbraw/zinc/52/88/42/599528842.db2.gz UDHYJNFJMSZNPA-LBPRGKRZSA-N -1 3 392.444 3.607 20 0 GHADHM C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397789 599528844 /nfs/dbraw/zinc/52/88/44/599528844.db2.gz UDHYJNFJMSZNPA-LBPRGKRZSA-N -1 3 392.444 3.607 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737333927 599530922 /nfs/dbraw/zinc/53/09/22/599530922.db2.gz CFMHSZABWZKXBN-GFCCVEGCSA-N -1 3 376.386 3.656 20 0 GHADHM Cc1ccc(C[C@@H](C)N(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737333927 599530924 /nfs/dbraw/zinc/53/09/24/599530924.db2.gz CFMHSZABWZKXBN-GFCCVEGCSA-N -1 3 376.386 3.656 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738408666 599537790 /nfs/dbraw/zinc/53/77/90/599537790.db2.gz NMJTZUQGGMGHGO-RDJZCZTQSA-N -1 3 378.505 3.565 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000738408666 599537794 /nfs/dbraw/zinc/53/77/94/599537794.db2.gz NMJTZUQGGMGHGO-RDJZCZTQSA-N -1 3 378.505 3.565 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000820316432 599537948 /nfs/dbraw/zinc/53/79/48/599537948.db2.gz VWEYULCFFQZEAV-NEPJUHHUSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000820316432 599537951 /nfs/dbraw/zinc/53/79/51/599537951.db2.gz VWEYULCFFQZEAV-NEPJUHHUSA-N -1 3 389.381 3.866 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CC/C=C\c1ccccc1 ZINC000737024347 599540551 /nfs/dbraw/zinc/54/05/51/599540551.db2.gz GRRZMQGTOFFTAJ-UITAMQMPSA-N -1 3 384.823 3.928 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CC/C=C\c1ccccc1 ZINC000737024347 599540552 /nfs/dbraw/zinc/54/05/52/599540552.db2.gz GRRZMQGTOFFTAJ-UITAMQMPSA-N -1 3 384.823 3.928 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000159457375 599541041 /nfs/dbraw/zinc/54/10/41/599541041.db2.gz IPXGFHOYGYSXAV-LBPRGKRZSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000159457375 599541046 /nfs/dbraw/zinc/54/10/46/599541046.db2.gz IPXGFHOYGYSXAV-LBPRGKRZSA-N -1 3 389.381 3.696 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1ccsc1 ZINC000735560318 599541223 /nfs/dbraw/zinc/54/12/23/599541223.db2.gz PXFAVTIELVFSQI-LBPRGKRZSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736059983 599544047 /nfs/dbraw/zinc/54/40/47/599544047.db2.gz YNSROFBOTDZDTF-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736059983 599544048 /nfs/dbraw/zinc/54/40/48/599544048.db2.gz YNSROFBOTDZDTF-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(F)cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821400467 599544657 /nfs/dbraw/zinc/54/46/57/599544657.db2.gz JXLVNELOSZDJEX-VZSAFFHGSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(F)cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821400467 599544659 /nfs/dbraw/zinc/54/46/59/599544659.db2.gz JXLVNELOSZDJEX-VZSAFFHGSA-N -1 3 395.438 3.696 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735925062 599546144 /nfs/dbraw/zinc/54/61/44/599546144.db2.gz WVKSDWTWLIWJAN-CQSZACIVSA-N -1 3 381.455 3.939 20 0 GHADHM CC(C)c1ccc([C@H](C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735925062 599546145 /nfs/dbraw/zinc/54/61/45/599546145.db2.gz WVKSDWTWLIWJAN-CQSZACIVSA-N -1 3 381.455 3.939 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000819976080 599549384 /nfs/dbraw/zinc/54/93/84/599549384.db2.gz KYZVCYBDABEXMX-MRXNPFEDSA-N -1 3 393.495 3.520 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000819976080 599549387 /nfs/dbraw/zinc/54/93/87/599549387.db2.gz KYZVCYBDABEXMX-MRXNPFEDSA-N -1 3 393.495 3.520 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)[C@H]1C ZINC000820708954 599549868 /nfs/dbraw/zinc/54/98/68/599549868.db2.gz ARVIOGXWCVQYJG-OLZOCXBDSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[C@H]1C ZINC000820708954 599549870 /nfs/dbraw/zinc/54/98/70/599549870.db2.gz ARVIOGXWCVQYJG-OLZOCXBDSA-N -1 3 397.508 3.566 20 0 GHADHM CCS[C@H]1CCCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821453650 599553132 /nfs/dbraw/zinc/55/31/32/599553132.db2.gz BFDOAOSPUYTLAY-AWEZNQCLSA-N -1 3 386.500 3.974 20 0 GHADHM CCS[C@H]1CCCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821453650 599553135 /nfs/dbraw/zinc/55/31/35/599553135.db2.gz BFDOAOSPUYTLAY-AWEZNQCLSA-N -1 3 386.500 3.974 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc2ccccc2c1 ZINC000821612012 599559821 /nfs/dbraw/zinc/55/98/21/599559821.db2.gz DXWQSOBTTRHLAW-UHFFFAOYSA-N -1 3 397.442 3.702 20 0 GHADHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc2ccccc2c1 ZINC000821612012 599559823 /nfs/dbraw/zinc/55/98/23/599559823.db2.gz DXWQSOBTTRHLAW-UHFFFAOYSA-N -1 3 397.442 3.702 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000823487874 599567188 /nfs/dbraw/zinc/56/71/88/599567188.db2.gz IFPKTGBSZBOEQF-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000823487874 599567193 /nfs/dbraw/zinc/56/71/93/599567193.db2.gz IFPKTGBSZBOEQF-ZDUSSCGKSA-N -1 3 385.830 3.759 20 0 GHADHM Cc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(F)(F)F ZINC000737281057 599581933 /nfs/dbraw/zinc/58/19/33/599581933.db2.gz OXYPMEOWXHLVAB-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM Cc1ccc(CCN(Cc2cccc(-c3nnn[n-]3)c2)CC(F)(F)F)cc1 ZINC000822236361 599583947 /nfs/dbraw/zinc/58/39/47/599583947.db2.gz VYRZFWABULDAAD-UHFFFAOYSA-N -1 3 375.398 3.782 20 0 GHADHM Cc1ccc(CCN(Cc2cccc(-c3nn[n-]n3)c2)CC(F)(F)F)cc1 ZINC000822236361 599583949 /nfs/dbraw/zinc/58/39/49/599583949.db2.gz VYRZFWABULDAAD-UHFFFAOYSA-N -1 3 375.398 3.782 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736304395 599599250 /nfs/dbraw/zinc/59/92/50/599599250.db2.gz VOANFYYRWYBFJD-LBPRGKRZSA-N -1 3 397.458 3.714 20 0 GHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736304395 599599252 /nfs/dbraw/zinc/59/92/52/599599252.db2.gz VOANFYYRWYBFJD-LBPRGKRZSA-N -1 3 397.458 3.714 20 0 GHADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCc2ccccc2C1 ZINC000820577637 599628356 /nfs/dbraw/zinc/62/83/56/599628356.db2.gz SGRFLXBXUXKKHL-OAQYLSRUSA-N -1 3 393.516 3.941 20 0 GHADHM C[C@@]1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCc2ccccc2C1 ZINC000820577637 599628357 /nfs/dbraw/zinc/62/83/57/599628357.db2.gz SGRFLXBXUXKKHL-OAQYLSRUSA-N -1 3 393.516 3.941 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000819976075 599630268 /nfs/dbraw/zinc/63/02/68/599630268.db2.gz KVJFNNSMYGBNOY-UHFFFAOYSA-N -1 3 380.452 3.607 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000819976075 599630269 /nfs/dbraw/zinc/63/02/69/599630269.db2.gz KVJFNNSMYGBNOY-UHFFFAOYSA-N -1 3 380.452 3.607 20 0 GHADHM CC(C)c1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000820192429 599635053 /nfs/dbraw/zinc/63/50/53/599635053.db2.gz NPZXTUVWHJANOG-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc([C@H](C)NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000820192429 599635054 /nfs/dbraw/zinc/63/50/54/599635054.db2.gz NPZXTUVWHJANOG-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM c1ccc2c(c1)CC[C@@H]2N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000823797514 599637068 /nfs/dbraw/zinc/63/70/68/599637068.db2.gz QXYVLZJBLDVLHO-IBGZPJMESA-N -1 3 399.458 3.569 20 0 GHADHM O=c1[nH]c2ccc(N(Cc3ccccc3)Cc3ccc(-c4nnn[n-]4)cc3)cc2[nH]1 ZINC000823657443 599640780 /nfs/dbraw/zinc/64/07/80/599640780.db2.gz OZJXAYUNBCQRKP-UHFFFAOYSA-N -1 3 397.442 3.655 20 0 GHADHM O=c1[nH]c2ccc(N(Cc3ccccc3)Cc3ccc(-c4nn[n-]n4)cc3)cc2[nH]1 ZINC000823657443 599640781 /nfs/dbraw/zinc/64/07/81/599640781.db2.gz OZJXAYUNBCQRKP-UHFFFAOYSA-N -1 3 397.442 3.655 20 0 GHADHM CSCCCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000821969770 599648737 /nfs/dbraw/zinc/64/87/37/599648737.db2.gz FCRZAYDJEANXDO-UHFFFAOYSA-N -1 3 386.502 3.928 20 0 GHADHM CSCCCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000821969770 599648738 /nfs/dbraw/zinc/64/87/38/599648738.db2.gz FCRZAYDJEANXDO-UHFFFAOYSA-N -1 3 386.502 3.928 20 0 GHADHM O=C(OCc1cccc(Cl)n1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823431288 599650827 /nfs/dbraw/zinc/65/08/27/599650827.db2.gz PHBOSSZIYHNIOK-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM O=C(OCc1cccc(Cl)n1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823431288 599650828 /nfs/dbraw/zinc/65/08/28/599650828.db2.gz PHBOSSZIYHNIOK-UHFFFAOYSA-N -1 3 391.818 3.939 20 0 GHADHM Cc1ncccc1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000822479281 599657315 /nfs/dbraw/zinc/65/73/15/599657315.db2.gz ZWISXXAZDHZNKP-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ncccc1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000822479281 599657316 /nfs/dbraw/zinc/65/73/16/599657316.db2.gz ZWISXXAZDHZNKP-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ncoc1-c1ccccc1Cl ZINC000823413126 599667835 /nfs/dbraw/zinc/66/78/35/599667835.db2.gz AVVCTIBNWGGPHF-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ncoc1-c1ccccc1Cl ZINC000823413126 599667836 /nfs/dbraw/zinc/66/78/36/599667836.db2.gz AVVCTIBNWGGPHF-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822233206 599669138 /nfs/dbraw/zinc/66/91/38/599669138.db2.gz KKRJVDDZIAYUCH-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822233206 599669139 /nfs/dbraw/zinc/66/91/39/599669139.db2.gz KKRJVDDZIAYUCH-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820716726 599670620 /nfs/dbraw/zinc/67/06/20/599670620.db2.gz KPUHSPXPFWDKIF-CPUCHLNUSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820716726 599670621 /nfs/dbraw/zinc/67/06/21/599670621.db2.gz KPUHSPXPFWDKIF-CPUCHLNUSA-N -1 3 380.452 3.704 20 0 GHADHM O=C(CCC1CCOCC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822950075 599671520 /nfs/dbraw/zinc/67/15/20/599671520.db2.gz DBFRDXPLYVEMKF-UHFFFAOYSA-N -1 3 392.459 3.784 20 0 GHADHM O=C(CCC1CCOCC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822950075 599671521 /nfs/dbraw/zinc/67/15/21/599671521.db2.gz DBFRDXPLYVEMKF-UHFFFAOYSA-N -1 3 392.459 3.784 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820359936 599674057 /nfs/dbraw/zinc/67/40/57/599674057.db2.gz VRZJJLAKTDVNNQ-CYBMUJFWSA-N -1 3 396.882 3.960 20 0 GHADHM C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820359936 599674058 /nfs/dbraw/zinc/67/40/58/599674058.db2.gz VRZJJLAKTDVNNQ-CYBMUJFWSA-N -1 3 396.882 3.960 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822232888 599679550 /nfs/dbraw/zinc/67/95/50/599679550.db2.gz DAGIIQRWBKQFIP-PXAZEXFGSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822232888 599679551 /nfs/dbraw/zinc/67/95/51/599679551.db2.gz DAGIIQRWBKQFIP-PXAZEXFGSA-N -1 3 398.442 3.590 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820847332 599682918 /nfs/dbraw/zinc/68/29/18/599682918.db2.gz AJVKLGWSJCBDAO-CQSZACIVSA-N -1 3 399.520 3.594 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820847332 599682919 /nfs/dbraw/zinc/68/29/19/599682919.db2.gz AJVKLGWSJCBDAO-CQSZACIVSA-N -1 3 399.520 3.594 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)N(C)C)cc1 ZINC000737259558 599716954 /nfs/dbraw/zinc/71/69/54/599716954.db2.gz SFIMBBDMRNGUHX-GOSISDBHSA-N -1 3 388.443 3.902 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cn1 ZINC000820733557 607391745 /nfs/dbraw/zinc/39/17/45/607391745.db2.gz HDEQPDJPRLTSCH-LLVKDONJSA-N -1 3 382.493 3.824 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cn1 ZINC000820733557 607391747 /nfs/dbraw/zinc/39/17/47/607391747.db2.gz HDEQPDJPRLTSCH-LLVKDONJSA-N -1 3 382.493 3.824 20 0 GHADHM Cc1ccc(NC(=O)NC[C@H]2CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000738624068 599772104 /nfs/dbraw/zinc/77/21/04/599772104.db2.gz CITQCIFUMWOJKN-JKSUJKDBSA-N -1 3 385.464 3.881 20 0 GHADHM Cc1nn(C)c2ncc(CN(C)[C@@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)cc12 ZINC000738918570 599772308 /nfs/dbraw/zinc/77/23/08/599772308.db2.gz OKNPECWUMBRZOG-MRXNPFEDSA-N -1 3 393.274 3.841 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820161381 607400052 /nfs/dbraw/zinc/40/00/52/607400052.db2.gz XDVLFGBFFVSCKZ-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820161381 607400054 /nfs/dbraw/zinc/40/00/54/607400054.db2.gz XDVLFGBFFVSCKZ-KGLIPLIRSA-N -1 3 399.401 3.674 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1cccc(OC)c1 ZINC000737085481 599898595 /nfs/dbraw/zinc/89/85/95/599898595.db2.gz MBLLWUHBGCABED-IBGZPJMESA-N -1 3 385.464 3.598 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826282332 607861592 /nfs/dbraw/zinc/86/15/92/607861592.db2.gz JDUIMFODFFRPPQ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826282332 607861593 /nfs/dbraw/zinc/86/15/93/607861593.db2.gz JDUIMFODFFRPPQ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826428335 607418608 /nfs/dbraw/zinc/41/86/08/607418608.db2.gz YTGDEUUGUNSNHW-RTWAWAEBSA-N -1 3 395.466 3.929 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826428335 607418610 /nfs/dbraw/zinc/41/86/10/607418610.db2.gz YTGDEUUGUNSNHW-RTWAWAEBSA-N -1 3 395.466 3.929 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820165929 607427134 /nfs/dbraw/zinc/42/71/34/607427134.db2.gz RZGTUEZJHFDRFS-SFHVURJKSA-N -1 3 392.463 3.805 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820165929 607427136 /nfs/dbraw/zinc/42/71/36/607427136.db2.gz RZGTUEZJHFDRFS-SFHVURJKSA-N -1 3 392.463 3.805 20 0 GHADHM Cc1ccc(SCCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C ZINC000826292570 607427640 /nfs/dbraw/zinc/42/76/40/607427640.db2.gz ALIMQQBGPYRHFZ-UHFFFAOYSA-N -1 3 393.516 3.771 20 0 GHADHM Cc1ccc(SCCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826292570 607427641 /nfs/dbraw/zinc/42/76/41/607427641.db2.gz ALIMQQBGPYRHFZ-UHFFFAOYSA-N -1 3 393.516 3.771 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736724483 600282364 /nfs/dbraw/zinc/28/23/64/600282364.db2.gz MBLGNAGOADPDSA-GUYCJALGSA-N -1 3 387.867 3.995 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)CC2 ZINC000739532734 600298448 /nfs/dbraw/zinc/29/84/48/600298448.db2.gz PODIIOMPZGNFQK-IBGZPJMESA-N -1 3 376.541 3.667 20 0 GHADHM CN(C(=O)c1cc(Cl)cc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825964 607437127 /nfs/dbraw/zinc/43/71/27/607437127.db2.gz PVNFNQOZOSFRNE-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1cc(Cl)cc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825964 607437128 /nfs/dbraw/zinc/43/71/28/607437128.db2.gz PVNFNQOZOSFRNE-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(CCn1cccn1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737454292 600333025 /nfs/dbraw/zinc/33/30/25/600333025.db2.gz IPOJSGQKUUNFDD-UHFFFAOYSA-N -1 3 386.455 3.929 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817094 607433600 /nfs/dbraw/zinc/43/36/00/607433600.db2.gz ACBIOIBRKKAMMS-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CN(C(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817094 607433602 /nfs/dbraw/zinc/43/36/02/607433602.db2.gz ACBIOIBRKKAMMS-UHFFFAOYSA-N -1 3 376.247 3.769 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C)cc1 ZINC000825133800 607447038 /nfs/dbraw/zinc/44/70/38/607447038.db2.gz QBNNMISPCFIMQG-SFHVURJKSA-N -1 3 376.464 3.615 20 0 GHADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C)cc1 ZINC000825133800 607447039 /nfs/dbraw/zinc/44/70/39/607447039.db2.gz QBNNMISPCFIMQG-SFHVURJKSA-N -1 3 376.464 3.615 20 0 GHADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000738715981 600500338 /nfs/dbraw/zinc/50/03/38/600500338.db2.gz ZIWKBADJCFLIFJ-CYBMUJFWSA-N -1 3 390.480 3.716 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000821570934 607452774 /nfs/dbraw/zinc/45/27/74/607452774.db2.gz RRQVWOILEWQAON-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000821570934 607452775 /nfs/dbraw/zinc/45/27/75/607452775.db2.gz RRQVWOILEWQAON-UHFFFAOYSA-N -1 3 394.287 3.929 20 0 GHADHM CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000828284441 600834630 /nfs/dbraw/zinc/83/46/30/600834630.db2.gz FURLWYRTDRNYLR-BRWVUGGUSA-N -1 3 378.538 3.528 20 0 GHADHM c1ccc(-c2nnn[n-]2)c(OCCSCc2noc(C3CCCCC3)n2)c1 ZINC000823774071 607478547 /nfs/dbraw/zinc/47/85/47/607478547.db2.gz YWACSAJJKSIOIX-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM c1ccc(-c2nn[n-]n2)c(OCCSCc2noc(C3CCCCC3)n2)c1 ZINC000823774071 607478549 /nfs/dbraw/zinc/47/85/49/607478549.db2.gz YWACSAJJKSIOIX-UHFFFAOYSA-N -1 3 386.481 3.610 20 0 GHADHM COc1cccc(OC)c1OC1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000516576286 600988069 /nfs/dbraw/zinc/98/80/69/600988069.db2.gz NPGWBRNDPQOEKD-LJQANCHMSA-N -1 3 389.423 3.512 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000833180369 601089059 /nfs/dbraw/zinc/08/90/59/601089059.db2.gz UAAABOUKVOBGLB-SFTDATJTSA-N -1 3 384.520 3.778 20 0 GHADHM COCc1c(Br)cccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821695170 607488409 /nfs/dbraw/zinc/48/84/09/607488409.db2.gz MJISESDXHDIMFJ-UHFFFAOYSA-N -1 3 392.232 3.527 20 0 GHADHM COCc1c(Br)cccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821695170 607488410 /nfs/dbraw/zinc/48/84/10/607488410.db2.gz MJISESDXHDIMFJ-UHFFFAOYSA-N -1 3 392.232 3.527 20 0 GHADHM CCc1noc(-c2ccc(C)c(NCc3ccc(-c4nnn[n-]4)cc3F)c2)n1 ZINC000821553889 607490260 /nfs/dbraw/zinc/49/02/60/607490260.db2.gz LQOQIVPNIWLPEY-UHFFFAOYSA-N -1 3 379.399 3.539 20 0 GHADHM CCc1noc(-c2ccc(C)c(NCc3ccc(-c4nn[n-]n4)cc3F)c2)n1 ZINC000821553889 607490262 /nfs/dbraw/zinc/49/02/62/607490262.db2.gz LQOQIVPNIWLPEY-UHFFFAOYSA-N -1 3 379.399 3.539 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820294506 607494192 /nfs/dbraw/zinc/49/41/92/607494192.db2.gz UDXSPVHUSAJIJG-GFCCVEGCSA-N -1 3 399.545 3.925 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820294506 607494194 /nfs/dbraw/zinc/49/41/94/607494194.db2.gz UDXSPVHUSAJIJG-GFCCVEGCSA-N -1 3 399.545 3.925 20 0 GHADHM CCN(C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1nc2ccccc2s1 ZINC000829596990 601204399 /nfs/dbraw/zinc/20/43/99/601204399.db2.gz GWJBMHYVWVWBNF-IFXJQAMLSA-N -1 3 397.500 3.701 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000826054736 601205967 /nfs/dbraw/zinc/20/59/67/601205967.db2.gz PUNHLULKZCWLAA-BZNIZROVSA-N -1 3 381.259 3.984 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)CSCc2ccccc2)s1 ZINC000821465048 607498727 /nfs/dbraw/zinc/49/87/27/607498727.db2.gz AJVFCFSEPGVEDO-GFCCVEGCSA-N -1 3 387.534 3.999 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)CSCc2ccccc2)s1 ZINC000821465048 607498728 /nfs/dbraw/zinc/49/87/28/607498728.db2.gz AJVFCFSEPGVEDO-GFCCVEGCSA-N -1 3 387.534 3.999 20 0 GHADHM CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821159361 607498988 /nfs/dbraw/zinc/49/89/88/607498988.db2.gz BBSJQSZLYIKPPY-OAHLLOKOSA-N -1 3 386.459 3.947 20 0 GHADHM CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159361 607498990 /nfs/dbraw/zinc/49/89/90/607498990.db2.gz BBSJQSZLYIKPPY-OAHLLOKOSA-N -1 3 386.459 3.947 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820293844 607505000 /nfs/dbraw/zinc/50/50/00/607505000.db2.gz PSNQBMCHTKIMBX-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820293844 607505002 /nfs/dbraw/zinc/50/50/02/607505002.db2.gz PSNQBMCHTKIMBX-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000833032845 601619178 /nfs/dbraw/zinc/61/91/78/601619178.db2.gz NPQZTEUVUGKCMA-UHFFFAOYSA-N -1 3 391.468 3.680 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000829170098 601656943 /nfs/dbraw/zinc/65/69/43/601656943.db2.gz KEMGMEUXACKLPT-NQYLQCIDSA-N -1 3 386.517 3.636 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000820620819 601718420 /nfs/dbraw/zinc/71/84/20/601718420.db2.gz UMSZRYODZJLMEC-UHFFFAOYSA-N -1 3 385.439 3.652 20 0 GHADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000740729121 601925807 /nfs/dbraw/zinc/92/58/07/601925807.db2.gz LAQIRAAPHYXJLQ-NHCUHLMSSA-N -1 3 399.535 3.810 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000739059359 602463490 /nfs/dbraw/zinc/46/34/90/602463490.db2.gz OMZHRIDZOVOMCU-DUXKGJEZSA-N -1 3 395.503 3.727 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(-c2ccccc2)ns1 ZINC000826460931 607575439 /nfs/dbraw/zinc/57/54/39/607575439.db2.gz YLGFMELFIQNUQM-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(-c2ccccc2)ns1 ZINC000826460931 607575440 /nfs/dbraw/zinc/57/54/40/607575440.db2.gz YLGFMELFIQNUQM-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000740708097 603038439 /nfs/dbraw/zinc/03/84/39/603038439.db2.gz YHFIIWXOQZIJNR-HNNXBMFYSA-N -1 3 392.456 3.936 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739614080 603042854 /nfs/dbraw/zinc/04/28/54/603042854.db2.gz STSDRBJLHNMHLW-UHFFFAOYSA-N -1 3 392.406 3.650 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(Cl)c1 ZINC000740698653 603218134 /nfs/dbraw/zinc/21/81/34/603218134.db2.gz MEIJYHUGWOJXLI-UHFFFAOYSA-N -1 3 387.867 3.608 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739188820 603259150 /nfs/dbraw/zinc/25/91/50/603259150.db2.gz KEMFLNRPXHXBSF-HNNXBMFYSA-N -1 3 385.439 3.652 20 0 GHADHM COc1ccc(CN(C)C)cc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829362455 603272663 /nfs/dbraw/zinc/27/26/63/603272663.db2.gz LILHLSAPMVRLHZ-ZDUSSCGKSA-N -1 3 386.452 3.729 20 0 GHADHM Cc1c(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)cccc1-c1nnn[n-]1 ZINC000826241791 607620339 /nfs/dbraw/zinc/62/03/39/607620339.db2.gz OTRZOTWSYGGARY-UHFFFAOYSA-N -1 3 384.350 3.564 20 0 GHADHM Cc1c(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)cccc1-c1nn[n-]n1 ZINC000826241791 607620341 /nfs/dbraw/zinc/62/03/41/607620341.db2.gz OTRZOTWSYGGARY-UHFFFAOYSA-N -1 3 384.350 3.564 20 0 GHADHM CN(C)Cc1ccc(-c2noc(CC[C@@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000828042876 603639566 /nfs/dbraw/zinc/63/95/66/603639566.db2.gz SRCIENSCCGLHHV-GOSISDBHSA-N -1 3 380.448 3.740 20 0 GHADHM Cc1ccncc1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826315637 607643075 /nfs/dbraw/zinc/64/30/75/607643075.db2.gz OSPAOEVMSXEILK-UHFFFAOYSA-N -1 3 388.450 3.912 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000825794286 603992940 /nfs/dbraw/zinc/99/29/40/603992940.db2.gz IQSWIQGEPPEYPK-CZUORRHYSA-N -1 3 386.427 3.700 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1Oc1cccnc1 ZINC000826270947 607671557 /nfs/dbraw/zinc/67/15/57/607671557.db2.gz VKOJKZYCCGIBEW-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1Oc1cccnc1 ZINC000826270947 607671560 /nfs/dbraw/zinc/67/15/60/607671560.db2.gz VKOJKZYCCGIBEW-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@H](C)C2CC2)cc1 ZINC000826209263 607677695 /nfs/dbraw/zinc/67/76/95/607677695.db2.gz UJQCOVXHJPFHKV-CQSZACIVSA-N -1 3 377.448 3.629 20 0 GHADHM COc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@H](C)C2CC2)cc1 ZINC000826209263 607677697 /nfs/dbraw/zinc/67/76/97/607677697.db2.gz UJQCOVXHJPFHKV-CQSZACIVSA-N -1 3 377.448 3.629 20 0 GHADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000825263469 604251845 /nfs/dbraw/zinc/25/18/45/604251845.db2.gz GTKWYHWEYGXDRS-LPHOPBHVSA-N -1 3 381.476 3.807 20 0 GHADHM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000829602700 604289940 /nfs/dbraw/zinc/28/99/40/604289940.db2.gz WATKBKFJICOPPF-QAPCUYQASA-N -1 3 384.451 3.822 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c2ccccn2)cc1 ZINC000826287157 607693113 /nfs/dbraw/zinc/69/31/13/607693113.db2.gz FJIZJWJHVCXERP-NRFANRHFSA-N -1 3 398.470 3.592 20 0 GHADHM Cc1ccc(C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c2ccccn2)cc1 ZINC000826287157 607693114 /nfs/dbraw/zinc/69/31/14/607693114.db2.gz FJIZJWJHVCXERP-NRFANRHFSA-N -1 3 398.470 3.592 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000833544692 604520944 /nfs/dbraw/zinc/52/09/44/604520944.db2.gz ZEJHNIDDZIIPJM-DNVCBOLYSA-N -1 3 383.444 3.647 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826316103 607711274 /nfs/dbraw/zinc/71/12/74/607711274.db2.gz CVHHCUJTVWROKU-KGLIPLIRSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826316103 607711276 /nfs/dbraw/zinc/71/12/76/607711276.db2.gz CVHHCUJTVWROKU-KGLIPLIRSA-N -1 3 383.477 3.766 20 0 GHADHM FC(F)(F)c1csc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000826368890 607712322 /nfs/dbraw/zinc/71/23/22/607712322.db2.gz FFXBAGXAQGVANY-UHFFFAOYSA-N -1 3 398.439 3.908 20 0 GHADHM FC(F)(F)c1csc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000826368890 607712324 /nfs/dbraw/zinc/71/23/24/607712324.db2.gz FFXBAGXAQGVANY-UHFFFAOYSA-N -1 3 398.439 3.908 20 0 GHADHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000833771167 604763223 /nfs/dbraw/zinc/76/32/23/604763223.db2.gz XENPPMJUJQXZFJ-QGZVFWFLSA-N -1 3 384.259 3.911 20 0 GHADHM CCN(CC)C(=O)CSCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825406074 607714674 /nfs/dbraw/zinc/71/46/74/607714674.db2.gz ISFPNSMGXZGHID-UHFFFAOYSA-N -1 3 381.505 3.635 20 0 GHADHM CCN(CC)C(=O)CSCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825406074 607714675 /nfs/dbraw/zinc/71/46/75/607714675.db2.gz ISFPNSMGXZGHID-UHFFFAOYSA-N -1 3 381.505 3.635 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000652499942 604947607 /nfs/dbraw/zinc/94/76/07/604947607.db2.gz STUQZSOIUGGLBU-OAHLLOKOSA-N -1 3 385.483 3.823 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824803348 607726682 /nfs/dbraw/zinc/72/66/82/607726682.db2.gz UCTUAPRDBNTTED-QGZVFWFLSA-N -1 3 397.523 3.843 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824803348 607726684 /nfs/dbraw/zinc/72/66/84/607726684.db2.gz UCTUAPRDBNTTED-QGZVFWFLSA-N -1 3 397.523 3.843 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000827687446 605008240 /nfs/dbraw/zinc/00/82/40/605008240.db2.gz MGYLPCZWZZSJKS-KSSFIOAISA-N -1 3 385.464 3.583 20 0 GHADHM COc1ccc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1NC(C)=O ZINC000829301187 605119743 /nfs/dbraw/zinc/11/97/43/605119743.db2.gz AYNBUHYDWLJVGC-KBPBESRZSA-N -1 3 385.464 3.833 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427146 607736492 /nfs/dbraw/zinc/73/64/92/607736492.db2.gz HDPZRVLRDLRMNX-NRFANRHFSA-N -1 3 394.438 3.867 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427146 607736493 /nfs/dbraw/zinc/73/64/93/607736493.db2.gz HDPZRVLRDLRMNX-NRFANRHFSA-N -1 3 394.438 3.867 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824915724 607757377 /nfs/dbraw/zinc/75/73/77/607757377.db2.gz HTPJZQKLQSNGHU-LPMFXHHGSA-N -1 3 376.464 3.866 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824915724 607757378 /nfs/dbraw/zinc/75/73/78/607757378.db2.gz HTPJZQKLQSNGHU-LPMFXHHGSA-N -1 3 376.464 3.866 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H](CNC(=O)[O-])C2)on1 ZINC000833891837 605422064 /nfs/dbraw/zinc/42/20/64/605422064.db2.gz ITSWWAKBCJWACB-AWEZNQCLSA-N -1 3 381.432 3.593 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1-c1nnn[n-]1 ZINC000825523263 607759150 /nfs/dbraw/zinc/75/91/50/607759150.db2.gz OWCINDZHKDXCHB-LBPRGKRZSA-N -1 3 386.456 3.590 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1-c1nn[n-]n1 ZINC000825523263 607759151 /nfs/dbraw/zinc/75/91/51/607759151.db2.gz OWCINDZHKDXCHB-LBPRGKRZSA-N -1 3 386.456 3.590 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826225746 607762047 /nfs/dbraw/zinc/76/20/47/607762047.db2.gz JXPWKCMQUVIGLK-ZDUSSCGKSA-N -1 3 398.492 3.840 20 0 GHADHM CS[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826225746 607762048 /nfs/dbraw/zinc/76/20/48/607762048.db2.gz JXPWKCMQUVIGLK-ZDUSSCGKSA-N -1 3 398.492 3.840 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cccc1-c1nnn[n-]1 ZINC000826241614 607764915 /nfs/dbraw/zinc/76/49/15/607764915.db2.gz IZHRMEZNKLOUAL-ZDUSSCGKSA-N -1 3 398.854 3.514 20 0 GHADHM Cc1c(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cccc1-c1nn[n-]n1 ZINC000826241614 607764916 /nfs/dbraw/zinc/76/49/16/607764916.db2.gz IZHRMEZNKLOUAL-ZDUSSCGKSA-N -1 3 398.854 3.514 20 0 GHADHM O=C(CCCc1ccccc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826407020 607769179 /nfs/dbraw/zinc/76/91/79/607769179.db2.gz XIZSNSPMCUQSQP-UHFFFAOYSA-N -1 3 390.472 3.952 20 0 GHADHM O=C(CCCc1ccccc1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826407020 607769180 /nfs/dbraw/zinc/76/91/80/607769180.db2.gz XIZSNSPMCUQSQP-UHFFFAOYSA-N -1 3 390.472 3.952 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cc2ccccc2[nH]1 ZINC000826459638 607771711 /nfs/dbraw/zinc/77/17/11/607771711.db2.gz RWVLJJCUKQAUJH-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cc2ccccc2[nH]1 ZINC000826459638 607771712 /nfs/dbraw/zinc/77/17/12/607771712.db2.gz RWVLJJCUKQAUJH-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc21 ZINC000834157191 605802536 /nfs/dbraw/zinc/80/25/36/605802536.db2.gz GWDZCDXVQNZXLU-SFTDATJTSA-N -1 3 393.487 3.856 20 0 GHADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1NCc1nccn1CCc1ccccc1 ZINC000834109726 605990724 /nfs/dbraw/zinc/99/07/24/605990724.db2.gz UVVZLJZPCIARAF-SLFFLAALSA-N -1 3 382.508 3.527 20 0 GHADHM CC(C)Nc1ccc(F)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820137929 606023653 /nfs/dbraw/zinc/02/36/53/606023653.db2.gz QKGCFPOVBKIHEN-UHFFFAOYSA-N -1 3 386.456 3.557 20 0 GHADHM CC(C)Nc1ccc(F)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820137929 606023658 /nfs/dbraw/zinc/02/36/58/606023658.db2.gz QKGCFPOVBKIHEN-UHFFFAOYSA-N -1 3 386.456 3.557 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000820321184 606028925 /nfs/dbraw/zinc/02/89/25/606028925.db2.gz CFYAMWCSGPHANA-SNGWPZLWSA-N -1 3 396.454 3.819 20 0 GHADHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccncc2)cc1 ZINC000820321184 606028927 /nfs/dbraw/zinc/02/89/27/606028927.db2.gz CFYAMWCSGPHANA-SNGWPZLWSA-N -1 3 396.454 3.819 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4nc5ccccc5cc4-c4nnn[n-]4)CC3)nc2c1 ZINC000823802439 606036815 /nfs/dbraw/zinc/03/68/15/606036815.db2.gz OFDQBTZILIFVPO-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM c1ccc2[nH]c(C3CCN(c4nc5ccccc5cc4-c4nn[n-]n4)CC3)nc2c1 ZINC000823802439 606036821 /nfs/dbraw/zinc/03/68/21/606036821.db2.gz OFDQBTZILIFVPO-UHFFFAOYSA-N -1 3 396.458 3.675 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000821008026 606046747 /nfs/dbraw/zinc/04/67/47/606046747.db2.gz GZLVQWNOQMKDJN-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCC(=O)Nc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000821008026 606046752 /nfs/dbraw/zinc/04/67/52/606046752.db2.gz GZLVQWNOQMKDJN-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM Cc1cc(N[C@H]2CCc3c2cccc3O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209486 606061191 /nfs/dbraw/zinc/06/11/91/606061191.db2.gz LBROLZTXNBKDBR-HNNXBMFYSA-N -1 3 397.442 3.781 20 0 GHADHM Cc1cc(N[C@H]2CCc3c2cccc3O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209486 606061196 /nfs/dbraw/zinc/06/11/96/606061196.db2.gz LBROLZTXNBKDBR-HNNXBMFYSA-N -1 3 397.442 3.781 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821043138 606134997 /nfs/dbraw/zinc/13/49/97/606134997.db2.gz LUIHUZRTIXGMKQ-LJQANCHMSA-N -1 3 379.464 3.539 20 0 GHADHM CCCC[C@H](Cc1ccccn1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821043138 606134999 /nfs/dbraw/zinc/13/49/99/606134999.db2.gz LUIHUZRTIXGMKQ-LJQANCHMSA-N -1 3 379.464 3.539 20 0 GHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820643335 606138667 /nfs/dbraw/zinc/13/86/67/606138667.db2.gz UNEVPYDYIGJDJU-TZMCWYRMSA-N -1 3 388.397 3.738 20 0 GHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820643335 606138668 /nfs/dbraw/zinc/13/86/68/606138668.db2.gz UNEVPYDYIGJDJU-TZMCWYRMSA-N -1 3 388.397 3.738 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000820500772 606140197 /nfs/dbraw/zinc/14/01/97/606140197.db2.gz GKGKHRJGELCWMO-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000820500772 606140198 /nfs/dbraw/zinc/14/01/98/606140198.db2.gz GKGKHRJGELCWMO-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821608468 606154350 /nfs/dbraw/zinc/15/43/50/606154350.db2.gz IQGKSSNLPBXPFJ-UHFFFAOYSA-N -1 3 393.451 3.833 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821608468 606154351 /nfs/dbraw/zinc/15/43/51/606154351.db2.gz IQGKSSNLPBXPFJ-UHFFFAOYSA-N -1 3 393.451 3.833 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374230 606160789 /nfs/dbraw/zinc/16/07/89/606160789.db2.gz NFSARHVCMUQSOC-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374230 606160791 /nfs/dbraw/zinc/16/07/91/606160791.db2.gz NFSARHVCMUQSOC-GFCCVEGCSA-N -1 3 391.460 3.873 20 0 GHADHM O=[S@](Cc1csc(-c2ccccc2F)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823614724 606181359 /nfs/dbraw/zinc/18/13/59/606181359.db2.gz ROINTHYHUVMVJI-MHZLTWQESA-N -1 3 399.476 3.578 20 0 GHADHM O=[S@](Cc1csc(-c2ccccc2F)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823614724 606181360 /nfs/dbraw/zinc/18/13/60/606181360.db2.gz ROINTHYHUVMVJI-MHZLTWQESA-N -1 3 399.476 3.578 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000821119019 606192295 /nfs/dbraw/zinc/19/22/95/606192295.db2.gz TUIYDWMTPXYBQH-QWHCGFSZSA-N -1 3 398.417 3.709 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000821118425 606192488 /nfs/dbraw/zinc/19/24/88/606192488.db2.gz MSAAAWACPUMLKX-AWEZNQCLSA-N -1 3 392.463 3.584 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822361645 606195701 /nfs/dbraw/zinc/19/57/01/606195701.db2.gz DPCFZBBCAYFEQT-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM Cc1ccccc1Cc1noc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822361645 606195702 /nfs/dbraw/zinc/19/57/02/606195702.db2.gz DPCFZBBCAYFEQT-UHFFFAOYSA-N -1 3 378.461 3.582 20 0 GHADHM O=C([C@@H]1C[C@@H]1C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822917194 606231262 /nfs/dbraw/zinc/23/12/62/606231262.db2.gz PNCUUJHBRXLETL-WOJBJXKFSA-N -1 3 391.450 3.581 20 0 GHADHM O=C([C@@H]1C[C@@H]1C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822917194 606231264 /nfs/dbraw/zinc/23/12/64/606231264.db2.gz PNCUUJHBRXLETL-WOJBJXKFSA-N -1 3 391.450 3.581 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822211959 606236252 /nfs/dbraw/zinc/23/62/52/606236252.db2.gz VOIKRVBAMORIJB-QZTJIDSGSA-N -1 3 375.432 3.952 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822211959 606236254 /nfs/dbraw/zinc/23/62/54/606236254.db2.gz VOIKRVBAMORIJB-QZTJIDSGSA-N -1 3 375.432 3.952 20 0 GHADHM Cc1nc(C)c(F)c(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822431837 606241867 /nfs/dbraw/zinc/24/18/67/606241867.db2.gz LNTZGLKHXSRUID-UHFFFAOYSA-N -1 3 378.367 3.997 20 0 GHADHM Cc1nc(C)c(F)c(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822431837 606241869 /nfs/dbraw/zinc/24/18/69/606241869.db2.gz LNTZGLKHXSRUID-UHFFFAOYSA-N -1 3 378.367 3.997 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000822649842 606247327 /nfs/dbraw/zinc/24/73/27/606247327.db2.gz LACOLFNCNNJEIL-UHFFFAOYSA-N -1 3 396.813 3.917 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000822649842 606247329 /nfs/dbraw/zinc/24/73/29/606247329.db2.gz LACOLFNCNNJEIL-UHFFFAOYSA-N -1 3 396.813 3.917 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820612245 606249575 /nfs/dbraw/zinc/24/95/75/606249575.db2.gz CJSZOZVUQXWMMK-NRFANRHFSA-N -1 3 376.464 3.743 20 0 GHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820612245 606249577 /nfs/dbraw/zinc/24/95/77/606249577.db2.gz CJSZOZVUQXWMMK-NRFANRHFSA-N -1 3 376.464 3.743 20 0 GHADHM O=C(CCOCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822974640 606259590 /nfs/dbraw/zinc/25/95/90/606259590.db2.gz VXRGQDOIOAPTNB-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM O=C(CCOCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822974640 606259593 /nfs/dbraw/zinc/25/95/93/606259593.db2.gz VXRGQDOIOAPTNB-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820536476 606266487 /nfs/dbraw/zinc/26/64/87/606266487.db2.gz USGISVFASHOAHL-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820536476 606266488 /nfs/dbraw/zinc/26/64/88/606266488.db2.gz USGISVFASHOAHL-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000821123813 606282083 /nfs/dbraw/zinc/28/20/83/606282083.db2.gz ZWJBNISJCNITBX-UHFFFAOYSA-N -1 3 394.410 3.755 20 0 GHADHM CCSc1ccc([C@H](C)N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821461926 606304578 /nfs/dbraw/zinc/30/45/78/606304578.db2.gz VZGRXFARSAKNEA-SCLBCKFNSA-N -1 3 397.504 3.544 20 0 GHADHM CCSc1ccc([C@H](C)N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821461926 606304580 /nfs/dbraw/zinc/30/45/80/606304580.db2.gz VZGRXFARSAKNEA-SCLBCKFNSA-N -1 3 397.504 3.544 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821455931 606326609 /nfs/dbraw/zinc/32/66/09/606326609.db2.gz MSTFLONKPMLUJE-RTBURBONSA-N -1 3 393.516 3.938 20 0 GHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821455931 606326610 /nfs/dbraw/zinc/32/66/10/606326610.db2.gz MSTFLONKPMLUJE-RTBURBONSA-N -1 3 393.516 3.938 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000823070486 606328185 /nfs/dbraw/zinc/32/81/85/606328185.db2.gz AHBLDHCNWQTAAK-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000823070486 606328187 /nfs/dbraw/zinc/32/81/87/606328187.db2.gz AHBLDHCNWQTAAK-UHFFFAOYSA-N -1 3 394.504 3.588 20 0 GHADHM Cc1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c(C)n1CC(F)(F)F ZINC000822166988 606329058 /nfs/dbraw/zinc/32/90/58/606329058.db2.gz ALEYNJLOWQIHTE-UHFFFAOYSA-N -1 3 395.410 3.822 20 0 GHADHM Cc1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c(C)n1CC(F)(F)F ZINC000822166988 606329060 /nfs/dbraw/zinc/32/90/60/606329060.db2.gz ALEYNJLOWQIHTE-UHFFFAOYSA-N -1 3 395.410 3.822 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000823071000 606329658 /nfs/dbraw/zinc/32/96/58/606329658.db2.gz WYDSKJOMCUSGMS-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000823071000 606329660 /nfs/dbraw/zinc/32/96/60/606329660.db2.gz WYDSKJOMCUSGMS-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821982787 606341685 /nfs/dbraw/zinc/34/16/85/606341685.db2.gz BBDNDCKDZZLUSY-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821982787 606341688 /nfs/dbraw/zinc/34/16/88/606341688.db2.gz BBDNDCKDZZLUSY-QWHCGFSZSA-N -1 3 384.461 3.660 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821477069 606343178 /nfs/dbraw/zinc/34/31/78/606343178.db2.gz XGEIRDUZSYDOMY-CQSZACIVSA-N -1 3 378.480 3.725 20 0 GHADHM CCc1ccc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821477069 606343179 /nfs/dbraw/zinc/34/31/79/606343179.db2.gz XGEIRDUZSYDOMY-CQSZACIVSA-N -1 3 378.480 3.725 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823344027 606352016 /nfs/dbraw/zinc/35/20/16/606352016.db2.gz OGEUZOCBGQKDTI-ZDUSSCGKSA-N -1 3 398.467 3.652 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000823344027 606352017 /nfs/dbraw/zinc/35/20/17/606352017.db2.gz OGEUZOCBGQKDTI-ZDUSSCGKSA-N -1 3 398.467 3.652 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823344079 606353461 /nfs/dbraw/zinc/35/34/61/606353461.db2.gz PUNSCTBLPXNXCN-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823344079 606353462 /nfs/dbraw/zinc/35/34/62/606353462.db2.gz PUNSCTBLPXNXCN-UHFFFAOYSA-N -1 3 398.417 3.632 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c12 ZINC000822530560 606353591 /nfs/dbraw/zinc/35/35/91/606353591.db2.gz HHTUERTYVGCBCA-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c12 ZINC000822530560 606353592 /nfs/dbraw/zinc/35/35/92/606353592.db2.gz HHTUERTYVGCBCA-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM CS/C=C/C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000821956553 606361534 /nfs/dbraw/zinc/36/15/34/606361534.db2.gz RGLVLBXPAUSYGE-CMDGGOBGSA-N -1 3 383.452 3.724 20 0 GHADHM CS/C=C/C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000821956553 606361535 /nfs/dbraw/zinc/36/15/35/606361535.db2.gz RGLVLBXPAUSYGE-CMDGGOBGSA-N -1 3 383.452 3.724 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000821613470 606362814 /nfs/dbraw/zinc/36/28/14/606362814.db2.gz ORZQLHYOHQWYLW-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000821613470 606362816 /nfs/dbraw/zinc/36/28/16/606362816.db2.gz ORZQLHYOHQWYLW-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821456600 606395652 /nfs/dbraw/zinc/39/56/52/606395652.db2.gz QRUAQAVEXJNKSY-UONOGXRCSA-N -1 3 391.545 3.609 20 0 GHADHM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821456600 606395654 /nfs/dbraw/zinc/39/56/54/606395654.db2.gz QRUAQAVEXJNKSY-UONOGXRCSA-N -1 3 391.545 3.609 20 0 GHADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938010 606399094 /nfs/dbraw/zinc/39/90/94/606399094.db2.gz GLONUOHYYOLMAO-KRWDZBQOSA-N -1 3 381.461 3.579 20 0 GHADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938010 606399096 /nfs/dbraw/zinc/39/90/96/606399096.db2.gz GLONUOHYYOLMAO-KRWDZBQOSA-N -1 3 381.461 3.579 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820741058 606422493 /nfs/dbraw/zinc/42/24/93/606422493.db2.gz BCGQJEIMRFMHNP-ZIAGYGMSSA-N -1 3 379.489 3.746 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820741058 606422495 /nfs/dbraw/zinc/42/24/95/606422495.db2.gz BCGQJEIMRFMHNP-ZIAGYGMSSA-N -1 3 379.489 3.746 20 0 GHADHM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821841061 606443327 /nfs/dbraw/zinc/44/33/27/606443327.db2.gz AMSBEBWSEHHDIJ-QGZVFWFLSA-N -1 3 385.855 3.879 20 0 GHADHM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821841061 606443328 /nfs/dbraw/zinc/44/33/28/606443328.db2.gz AMSBEBWSEHHDIJ-QGZVFWFLSA-N -1 3 385.855 3.879 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821614373 606458749 /nfs/dbraw/zinc/45/87/49/606458749.db2.gz CJSWUQVSWUHTBJ-UHFFFAOYSA-N -1 3 391.504 3.567 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821614373 606458750 /nfs/dbraw/zinc/45/87/50/606458750.db2.gz CJSWUQVSWUHTBJ-UHFFFAOYSA-N -1 3 391.504 3.567 20 0 GHADHM CN(c1ccccc1)C1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000821619271 606471338 /nfs/dbraw/zinc/47/13/38/606471338.db2.gz PQDRLQANDYZABW-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM CN(c1ccccc1)C1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000821619271 606471340 /nfs/dbraw/zinc/47/13/40/606471340.db2.gz PQDRLQANDYZABW-UHFFFAOYSA-N -1 3 385.475 3.520 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299159 606477440 /nfs/dbraw/zinc/47/74/40/606477440.db2.gz KKLZXRNLXMKCFE-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299159 606477442 /nfs/dbraw/zinc/47/74/42/606477442.db2.gz KKLZXRNLXMKCFE-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376203 606479182 /nfs/dbraw/zinc/47/91/82/606479182.db2.gz ZIRPHGTWODBRJH-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376203 606479184 /nfs/dbraw/zinc/47/91/84/606479184.db2.gz ZIRPHGTWODBRJH-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1cccc(COc2ccccc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823364087 606495791 /nfs/dbraw/zinc/49/57/91/606495791.db2.gz YZKWCJAMBNHBCG-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1cccc(COc2ccccc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823364087 606495793 /nfs/dbraw/zinc/49/57/93/606495793.db2.gz YZKWCJAMBNHBCG-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820562950 606500957 /nfs/dbraw/zinc/50/09/57/606500957.db2.gz KGBKPTMYKYVOOO-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820562950 606500959 /nfs/dbraw/zinc/50/09/59/606500959.db2.gz KGBKPTMYKYVOOO-LLVKDONJSA-N -1 3 390.274 3.936 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCCC1 ZINC000819876376 606526898 /nfs/dbraw/zinc/52/68/98/606526898.db2.gz GLVXZEKEOPIKNI-GFCCVEGCSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCCC1 ZINC000819876376 606526900 /nfs/dbraw/zinc/52/69/00/606526900.db2.gz GLVXZEKEOPIKNI-GFCCVEGCSA-N -1 3 382.493 3.679 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819949904 606548559 /nfs/dbraw/zinc/54/85/59/606548559.db2.gz BPBBMKMGMJEWGQ-UHFFFAOYSA-N -1 3 397.504 3.913 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819949904 606548561 /nfs/dbraw/zinc/54/85/61/606548561.db2.gz BPBBMKMGMJEWGQ-UHFFFAOYSA-N -1 3 397.504 3.913 20 0 GHADHM C[C@H](N(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1(C)CC1 ZINC000820306801 606552548 /nfs/dbraw/zinc/55/25/48/606552548.db2.gz FULVOZMIOADNDT-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H](N(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1(C)CC1 ZINC000820306801 606552550 /nfs/dbraw/zinc/55/25/50/606552550.db2.gz FULVOZMIOADNDT-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccs1 ZINC000819892069 606560217 /nfs/dbraw/zinc/56/02/17/606560217.db2.gz SNYBEAGKNFRTRD-UHFFFAOYSA-N -1 3 394.403 3.551 20 0 GHADHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccs1 ZINC000819892069 606560222 /nfs/dbraw/zinc/56/02/22/606560222.db2.gz SNYBEAGKNFRTRD-UHFFFAOYSA-N -1 3 394.403 3.551 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820882381 606566886 /nfs/dbraw/zinc/56/68/86/606566886.db2.gz QHZXTFXSIXWNGU-NEPJUHHUSA-N -1 3 399.476 3.626 20 0 GHADHM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820882381 606566887 /nfs/dbraw/zinc/56/68/87/606566887.db2.gz QHZXTFXSIXWNGU-NEPJUHHUSA-N -1 3 399.476 3.626 20 0 GHADHM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000823161615 606587222 /nfs/dbraw/zinc/58/72/22/606587222.db2.gz OWHIWOIHJMXFFY-QGZVFWFLSA-N -1 3 389.484 3.685 20 0 GHADHM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000823161615 606587224 /nfs/dbraw/zinc/58/72/24/606587224.db2.gz OWHIWOIHJMXFFY-QGZVFWFLSA-N -1 3 389.484 3.685 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC2CC2)cc1 ZINC000822731349 606596998 /nfs/dbraw/zinc/59/69/98/606596998.db2.gz CEFTVMWEQJAPDV-UHFFFAOYSA-N -1 3 387.390 3.869 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OCC2CC2)cc1 ZINC000822731349 606596999 /nfs/dbraw/zinc/59/69/99/606596999.db2.gz CEFTVMWEQJAPDV-UHFFFAOYSA-N -1 3 387.390 3.869 20 0 GHADHM Cc1cccc(OC(F)F)c1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822328199 606597179 /nfs/dbraw/zinc/59/71/79/606597179.db2.gz MVOZAZFTRSNXCG-UHFFFAOYSA-N -1 3 397.332 3.990 20 0 GHADHM Cc1cccc(OC(F)F)c1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822328199 606597181 /nfs/dbraw/zinc/59/71/81/606597181.db2.gz MVOZAZFTRSNXCG-UHFFFAOYSA-N -1 3 397.332 3.990 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000821099818 606602068 /nfs/dbraw/zinc/60/20/68/606602068.db2.gz OQSDBFLQJSZFAZ-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000821099818 606602069 /nfs/dbraw/zinc/60/20/69/606602069.db2.gz OQSDBFLQJSZFAZ-INIZCTEOSA-N -1 3 393.491 3.808 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000822930191 606605831 /nfs/dbraw/zinc/60/58/31/606605831.db2.gz YNSKWQKOQHDZON-OFAQMXQXSA-N -1 3 379.386 3.507 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000822930191 606605833 /nfs/dbraw/zinc/60/58/33/606605833.db2.gz YNSKWQKOQHDZON-OFAQMXQXSA-N -1 3 379.386 3.507 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820847968 606613932 /nfs/dbraw/zinc/61/39/32/606613932.db2.gz OCMFSPRJWRMLMR-CQSZACIVSA-N -1 3 379.464 3.606 20 0 GHADHM CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820847968 606613933 /nfs/dbraw/zinc/61/39/33/606613933.db2.gz OCMFSPRJWRMLMR-CQSZACIVSA-N -1 3 379.464 3.606 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823246372 606618537 /nfs/dbraw/zinc/61/85/37/606618537.db2.gz MULRNPZCJHWEQN-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000823246372 606618539 /nfs/dbraw/zinc/61/85/39/606618539.db2.gz MULRNPZCJHWEQN-UHFFFAOYSA-N -1 3 390.369 3.683 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820676919 606619147 /nfs/dbraw/zinc/61/91/47/606619147.db2.gz PFNBMAPEEVLRDN-XTCQQWIJSA-N -1 3 380.477 3.599 20 0 GHADHM C[C@@H]1CC/C(=C/C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820676919 606619149 /nfs/dbraw/zinc/61/91/49/606619149.db2.gz PFNBMAPEEVLRDN-XTCQQWIJSA-N -1 3 380.477 3.599 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(Cc4cccc(-c5nnn[n-]5)c4)n3)cn2)cc1 ZINC000823791310 606620884 /nfs/dbraw/zinc/62/08/84/606620884.db2.gz AWSWLFMCCMUMDR-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(Cc4cccc(-c5nn[n-]n5)c4)n3)cn2)cc1 ZINC000823791310 606620887 /nfs/dbraw/zinc/62/08/87/606620887.db2.gz AWSWLFMCCMUMDR-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649022 606628070 /nfs/dbraw/zinc/62/80/70/606628070.db2.gz HLWOBKGUPOVVKR-TUAOUCFPSA-N -1 3 379.917 3.505 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000820649022 606628071 /nfs/dbraw/zinc/62/80/71/606628071.db2.gz HLWOBKGUPOVVKR-TUAOUCFPSA-N -1 3 379.917 3.505 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)NCCC1=CCCCC1 ZINC000823066231 606630715 /nfs/dbraw/zinc/63/07/15/606630715.db2.gz RDJJGTGVBGDKGP-UHFFFAOYSA-N -1 3 377.901 3.619 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)NCCC1=CCCCC1 ZINC000823066231 606630716 /nfs/dbraw/zinc/63/07/16/606630716.db2.gz RDJJGTGVBGDKGP-UHFFFAOYSA-N -1 3 377.901 3.619 20 0 GHADHM Clc1ccc(SCc2noc(Cc3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000822578940 606630809 /nfs/dbraw/zinc/63/08/09/606630809.db2.gz UCKSCCQXXDAAII-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1ccc(SCc2noc(Cc3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000822578940 606630811 /nfs/dbraw/zinc/63/08/11/606630811.db2.gz UCKSCCQXXDAAII-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C/SCc1ccco1 ZINC000820087679 606636394 /nfs/dbraw/zinc/63/63/94/606636394.db2.gz WLJWTJUXHCXWSU-PKNBQFBNSA-N -1 3 397.504 3.891 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C/SCc1ccco1 ZINC000820087679 606636395 /nfs/dbraw/zinc/63/63/95/606636395.db2.gz WLJWTJUXHCXWSU-PKNBQFBNSA-N -1 3 397.504 3.891 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(-c3cccs3)n2)ccc1-c1nnn[n-]1 ZINC000822723801 606656836 /nfs/dbraw/zinc/65/68/36/606656836.db2.gz OYPNVPNOPRMQEG-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM FC(F)(F)c1cc(NCc2noc(-c3cccs3)n2)ccc1-c1nn[n-]n1 ZINC000822723801 606656837 /nfs/dbraw/zinc/65/68/37/606656837.db2.gz OYPNVPNOPRMQEG-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccco1)Cc1ccccc1 ZINC000823455017 606666443 /nfs/dbraw/zinc/66/64/43/606666443.db2.gz VHBFJEWECQYSFY-UHFFFAOYSA-N -1 3 395.369 3.581 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccco1)Cc1ccccc1 ZINC000823455017 606666444 /nfs/dbraw/zinc/66/64/44/606666444.db2.gz VHBFJEWECQYSFY-UHFFFAOYSA-N -1 3 395.369 3.581 20 0 GHADHM Cc1ccc(C)c2sc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)nc21 ZINC000822232103 606667119 /nfs/dbraw/zinc/66/71/19/606667119.db2.gz TUEMOZCATJZZJJ-UHFFFAOYSA-N -1 3 386.387 3.624 20 0 GHADHM Cc1ccc(C)c2sc(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)nc21 ZINC000822232103 606667120 /nfs/dbraw/zinc/66/71/20/606667120.db2.gz TUEMOZCATJZZJJ-UHFFFAOYSA-N -1 3 386.387 3.624 20 0 GHADHM O=C(Oc1ccc(Oc2ccccn2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823454065 606668942 /nfs/dbraw/zinc/66/89/42/606668942.db2.gz KSEQOUPYRKIACV-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM O=C(Oc1ccc(Oc2ccccn2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823454065 606668943 /nfs/dbraw/zinc/66/89/43/606668943.db2.gz KSEQOUPYRKIACV-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147910 606670375 /nfs/dbraw/zinc/67/03/75/606670375.db2.gz LAGLUXPHRYHZCZ-CDHQVMDDSA-N -1 3 375.476 3.655 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147910 606670376 /nfs/dbraw/zinc/67/03/76/606670376.db2.gz LAGLUXPHRYHZCZ-CDHQVMDDSA-N -1 3 375.476 3.655 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000822233664 606683581 /nfs/dbraw/zinc/68/35/81/606683581.db2.gz SOFHWIFXPKAWHP-MEBBXXQBSA-N -1 3 387.390 3.660 20 0 GHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822233664 606683582 /nfs/dbraw/zinc/68/35/82/606683582.db2.gz SOFHWIFXPKAWHP-MEBBXXQBSA-N -1 3 387.390 3.660 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820989177 606697095 /nfs/dbraw/zinc/69/70/95/606697095.db2.gz NJMWPAZNTKUZIT-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM CC[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820989177 606697096 /nfs/dbraw/zinc/69/70/96/606697096.db2.gz NJMWPAZNTKUZIT-CQSZACIVSA-N -1 3 378.436 3.923 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000820636016 606717676 /nfs/dbraw/zinc/71/76/76/606717676.db2.gz ORAMQLFBXHNFCV-OAQYLSRUSA-N -1 3 393.495 3.619 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000820636016 606717678 /nfs/dbraw/zinc/71/76/78/606717678.db2.gz ORAMQLFBXHNFCV-OAQYLSRUSA-N -1 3 393.495 3.619 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000821863268 606722892 /nfs/dbraw/zinc/72/28/92/606722892.db2.gz JGZATOYJZUZNSH-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM COc1cccc(C=C2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000821863268 606722893 /nfs/dbraw/zinc/72/28/93/606722893.db2.gz JGZATOYJZUZNSH-UHFFFAOYSA-N -1 3 390.447 3.587 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000823689120 606723794 /nfs/dbraw/zinc/72/37/94/606723794.db2.gz AVBSSGFOSXFBMI-NRFANRHFSA-N -1 3 387.443 3.591 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(C(F)(F)F)ccc1F ZINC000823422417 606763722 /nfs/dbraw/zinc/76/37/22/606763722.db2.gz UUQGUBQCSPJAEP-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(C(F)(F)F)ccc1F ZINC000823422417 606763723 /nfs/dbraw/zinc/76/37/23/606763723.db2.gz UUQGUBQCSPJAEP-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000823367981 606772685 /nfs/dbraw/zinc/77/26/85/606772685.db2.gz PQPHHQLRWYGBBM-KDOFPFPSSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000823367981 606772689 /nfs/dbraw/zinc/77/26/89/606772689.db2.gz PQPHHQLRWYGBBM-KDOFPFPSSA-N -1 3 376.420 3.675 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820971248 606787585 /nfs/dbraw/zinc/78/75/85/606787585.db2.gz AEDUGDLPEUEYSN-YJBOKZPZSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820971248 606787586 /nfs/dbraw/zinc/78/75/86/606787586.db2.gz AEDUGDLPEUEYSN-YJBOKZPZSA-N -1 3 379.420 3.555 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCOC(C)(C)C)cc1 ZINC000822144722 606790069 /nfs/dbraw/zinc/79/00/69/606790069.db2.gz NEUFYWMWERPRCL-UHFFFAOYSA-N -1 3 395.463 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCOC(C)(C)C)cc1 ZINC000822144722 606790071 /nfs/dbraw/zinc/79/00/71/606790071.db2.gz NEUFYWMWERPRCL-UHFFFAOYSA-N -1 3 395.463 3.512 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000822136585 606793179 /nfs/dbraw/zinc/79/31/79/606793179.db2.gz MLBZOJPAHLMAFN-SJLPKXTDSA-N -1 3 375.432 3.592 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000822136585 606793181 /nfs/dbraw/zinc/79/31/81/606793181.db2.gz MLBZOJPAHLMAFN-SJLPKXTDSA-N -1 3 375.432 3.592 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821837735 606799134 /nfs/dbraw/zinc/79/91/34/606799134.db2.gz GRMGGVVUXAQJNO-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(OC(F)F)c(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821837735 606799136 /nfs/dbraw/zinc/79/91/36/606799136.db2.gz GRMGGVVUXAQJNO-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000822233242 606809650 /nfs/dbraw/zinc/80/96/50/606809650.db2.gz KZLGFACKLFFSCN-HJWRWDBZSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000822233242 606809652 /nfs/dbraw/zinc/80/96/52/606809652.db2.gz KZLGFACKLFFSCN-HJWRWDBZSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000822220128 606828933 /nfs/dbraw/zinc/82/89/33/606828933.db2.gz FDOCQOIPWBSDDN-KRWDZBQOSA-N -1 3 384.509 3.552 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000822220128 606828934 /nfs/dbraw/zinc/82/89/34/606828934.db2.gz FDOCQOIPWBSDDN-KRWDZBQOSA-N -1 3 384.509 3.552 20 0 GHADHM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821073439 606913668 /nfs/dbraw/zinc/91/36/68/606913668.db2.gz ZXTQSNBCDJPTDF-UHFFFAOYSA-N -1 3 393.373 3.678 20 0 GHADHM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821073439 606913669 /nfs/dbraw/zinc/91/36/69/606913669.db2.gz ZXTQSNBCDJPTDF-UHFFFAOYSA-N -1 3 393.373 3.678 20 0 GHADHM Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000822693648 606918176 /nfs/dbraw/zinc/91/81/76/606918176.db2.gz IUHPWJKQFRFGKS-INIZCTEOSA-N -1 3 399.380 3.821 20 0 GHADHM Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000822693648 606918177 /nfs/dbraw/zinc/91/81/77/606918177.db2.gz IUHPWJKQFRFGKS-INIZCTEOSA-N -1 3 399.380 3.821 20 0 GHADHM Fc1ccc(OCC(F)(F)F)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822782868 606928019 /nfs/dbraw/zinc/92/80/19/606928019.db2.gz KFQBJCZRFXMHLL-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(OCC(F)(F)F)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822782868 606928020 /nfs/dbraw/zinc/92/80/20/606928020.db2.gz KFQBJCZRFXMHLL-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM COCc1cc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)ccc1F ZINC000821694987 606934498 /nfs/dbraw/zinc/93/44/98/606934498.db2.gz DANSJRATZHSOLR-UHFFFAOYSA-N -1 3 381.333 3.783 20 0 GHADHM COCc1cc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)ccc1F ZINC000821694987 606934499 /nfs/dbraw/zinc/93/44/99/606934499.db2.gz DANSJRATZHSOLR-UHFFFAOYSA-N -1 3 381.333 3.783 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822214129 606947022 /nfs/dbraw/zinc/94/70/22/606947022.db2.gz QMCBOWDIPAXCPQ-LSDHHAIUSA-N -1 3 389.463 3.945 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822214129 606947024 /nfs/dbraw/zinc/94/70/24/606947024.db2.gz QMCBOWDIPAXCPQ-LSDHHAIUSA-N -1 3 389.463 3.945 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823396476 606949110 /nfs/dbraw/zinc/94/91/10/606949110.db2.gz KCBHSQSRZIJMJT-GHXNOFRVSA-N -1 3 392.202 3.530 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823396476 606949112 /nfs/dbraw/zinc/94/91/12/606949112.db2.gz KCBHSQSRZIJMJT-GHXNOFRVSA-N -1 3 392.202 3.530 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820950263 606957552 /nfs/dbraw/zinc/95/75/52/606957552.db2.gz LGILJBTYXLSJAY-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000820950263 606957553 /nfs/dbraw/zinc/95/75/53/606957553.db2.gz LGILJBTYXLSJAY-QFIPXVFZSA-N -1 3 391.475 3.708 20 0 GHADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569573 606964831 /nfs/dbraw/zinc/96/48/31/606964831.db2.gz OMDGNSYTLVPEFF-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CN(C(=O)CCCc1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569573 606964832 /nfs/dbraw/zinc/96/48/32/606964832.db2.gz OMDGNSYTLVPEFF-UHFFFAOYSA-N -1 3 391.809 3.784 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000819899743 606965129 /nfs/dbraw/zinc/96/51/29/606965129.db2.gz YFCORLFASIHVDM-IBGZPJMESA-N -1 3 399.445 3.981 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000819899743 606965130 /nfs/dbraw/zinc/96/51/30/606965130.db2.gz YFCORLFASIHVDM-IBGZPJMESA-N -1 3 399.445 3.981 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821891270 606965290 /nfs/dbraw/zinc/96/52/90/606965290.db2.gz ZCGGKVZSLCZPGM-CYBMUJFWSA-N -1 3 399.882 3.760 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821891270 606965292 /nfs/dbraw/zinc/96/52/92/606965292.db2.gz ZCGGKVZSLCZPGM-CYBMUJFWSA-N -1 3 399.882 3.760 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000822207069 606987342 /nfs/dbraw/zinc/98/73/42/606987342.db2.gz JZLYAYDPWFZBSK-CYBMUJFWSA-N -1 3 382.493 3.868 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000822207069 606987343 /nfs/dbraw/zinc/98/73/43/606987343.db2.gz JZLYAYDPWFZBSK-CYBMUJFWSA-N -1 3 382.493 3.868 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822207279 606987429 /nfs/dbraw/zinc/98/74/29/606987429.db2.gz QHHPPRVQAKGALZ-CYBMUJFWSA-N -1 3 382.493 3.868 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822207279 606987430 /nfs/dbraw/zinc/98/74/30/606987430.db2.gz QHHPPRVQAKGALZ-CYBMUJFWSA-N -1 3 382.493 3.868 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820554885 607009664 /nfs/dbraw/zinc/00/96/64/607009664.db2.gz ATWJOUKQAJEDSY-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000820554885 607009667 /nfs/dbraw/zinc/00/96/67/607009667.db2.gz ATWJOUKQAJEDSY-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM CC(C)[C@@H](CNC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820020422 607012693 /nfs/dbraw/zinc/01/26/93/607012693.db2.gz GDYFTJYFUUVBJW-GOSISDBHSA-N -1 3 381.505 3.515 20 0 GHADHM CC(C)[C@@H](CNC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820020422 607012695 /nfs/dbraw/zinc/01/26/95/607012695.db2.gz GDYFTJYFUUVBJW-GOSISDBHSA-N -1 3 381.505 3.515 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(Cl)c1 ZINC000822262717 607017775 /nfs/dbraw/zinc/01/77/75/607017775.db2.gz DGGKRAFOHFIMAZ-UHFFFAOYSA-N -1 3 385.855 3.935 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(Cl)c1 ZINC000822262717 607017776 /nfs/dbraw/zinc/01/77/76/607017776.db2.gz DGGKRAFOHFIMAZ-UHFFFAOYSA-N -1 3 385.855 3.935 20 0 GHADHM Cc1cc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)ccc1Cl ZINC000822167913 607036768 /nfs/dbraw/zinc/03/67/68/607036768.db2.gz KBFYBSXREWTWPQ-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ccc1Cl ZINC000822167913 607036770 /nfs/dbraw/zinc/03/67/70/607036770.db2.gz KBFYBSXREWTWPQ-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000822423720 607044781 /nfs/dbraw/zinc/04/47/81/607044781.db2.gz NOGTWZRRSMTOPZ-CYBMUJFWSA-N -1 3 377.477 3.891 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000822423720 607044784 /nfs/dbraw/zinc/04/47/84/607044784.db2.gz NOGTWZRRSMTOPZ-CYBMUJFWSA-N -1 3 377.477 3.891 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820914303 607097058 /nfs/dbraw/zinc/09/70/58/607097058.db2.gz NWXQQBJCXLDBFT-SFHVURJKSA-N -1 3 396.470 3.559 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820914303 607097059 /nfs/dbraw/zinc/09/70/59/607097059.db2.gz NWXQQBJCXLDBFT-SFHVURJKSA-N -1 3 396.470 3.559 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823257142 607102651 /nfs/dbraw/zinc/10/26/51/607102651.db2.gz BNYQPIHEZRSOEP-UHFFFAOYSA-N -1 3 396.454 3.806 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000823257142 607102652 /nfs/dbraw/zinc/10/26/52/607102652.db2.gz BNYQPIHEZRSOEP-UHFFFAOYSA-N -1 3 396.454 3.806 20 0 GHADHM CC(C)n1nccc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000820220375 607114510 /nfs/dbraw/zinc/11/45/10/607114510.db2.gz SJLAXBWXGQPLNL-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM CC(C)n1nccc1C(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000820220375 607114511 /nfs/dbraw/zinc/11/45/11/607114511.db2.gz SJLAXBWXGQPLNL-UHFFFAOYSA-N -1 3 388.431 3.668 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821127954 607136234 /nfs/dbraw/zinc/13/62/34/607136234.db2.gz ODXQTFBUCNKQQG-GFCCVEGCSA-N -1 3 384.415 3.677 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821127954 607136236 /nfs/dbraw/zinc/13/62/36/607136236.db2.gz ODXQTFBUCNKQQG-GFCCVEGCSA-N -1 3 384.415 3.677 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000821305050 607144304 /nfs/dbraw/zinc/14/43/04/607144304.db2.gz VVNGUCHBSFMTHV-UHFFFAOYSA-N -1 3 376.420 3.914 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)oc1C ZINC000822176332 607146900 /nfs/dbraw/zinc/14/69/00/607146900.db2.gz JLHFLUCGOKIDHM-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)oc1C ZINC000822176332 607146902 /nfs/dbraw/zinc/14/69/02/607146902.db2.gz JLHFLUCGOKIDHM-UHFFFAOYSA-N -1 3 389.415 3.908 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1cc(Br)ccc1Cl ZINC000822761973 607150365 /nfs/dbraw/zinc/15/03/65/607150365.db2.gz XBDOSCRCFMDRRJ-UHFFFAOYSA-N -1 3 396.651 3.712 20 0 GHADHM FC(F)(F)c1ccc2oc(CSc3cc(-c4nnn[n-]4)ccn3)nc2c1 ZINC000822728711 607161627 /nfs/dbraw/zinc/16/16/27/607161627.db2.gz KHVBLRXQEFSYBE-UHFFFAOYSA-N -1 3 378.339 3.714 20 0 GHADHM FC(F)(F)c1ccc2oc(CSc3cc(-c4nn[n-]n4)ccn3)nc2c1 ZINC000822728711 607161629 /nfs/dbraw/zinc/16/16/29/607161629.db2.gz KHVBLRXQEFSYBE-UHFFFAOYSA-N -1 3 378.339 3.714 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000820633845 607168728 /nfs/dbraw/zinc/16/87/28/607168728.db2.gz DWMCTXWMVULBAU-UHFFFAOYSA-N -1 3 397.429 3.775 20 0 GHADHM CC1(c2ccccc2)CCC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000820633845 607168729 /nfs/dbraw/zinc/16/87/29/607168729.db2.gz DWMCTXWMVULBAU-UHFFFAOYSA-N -1 3 397.429 3.775 20 0 GHADHM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822015115 607190175 /nfs/dbraw/zinc/19/01/75/607190175.db2.gz CRRTZJGAKPPNSM-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822015115 607190176 /nfs/dbraw/zinc/19/01/76/607190176.db2.gz CRRTZJGAKPPNSM-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)cc1F ZINC000823318905 607190324 /nfs/dbraw/zinc/19/03/24/607190324.db2.gz NOOGURHEOOVUDN-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)cc1F ZINC000823318905 607190325 /nfs/dbraw/zinc/19/03/25/607190325.db2.gz NOOGURHEOOVUDN-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCc2cccc(F)c21 ZINC000823493378 607193857 /nfs/dbraw/zinc/19/38/57/607193857.db2.gz MQWCDIHMJRLKGT-UHFFFAOYSA-N -1 3 385.402 3.876 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCc2cccc(F)c21 ZINC000823493378 607193858 /nfs/dbraw/zinc/19/38/58/607193858.db2.gz MQWCDIHMJRLKGT-UHFFFAOYSA-N -1 3 385.402 3.876 20 0 GHADHM COc1ccc(Cl)cc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821824517 607202752 /nfs/dbraw/zinc/20/27/52/607202752.db2.gz LJQPLZJUXZQNQU-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(Cl)cc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821824517 607202753 /nfs/dbraw/zinc/20/27/53/607202753.db2.gz LJQPLZJUXZQNQU-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM O=C(NCCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823223538 607203677 /nfs/dbraw/zinc/20/36/77/607203677.db2.gz CCJJPHYUPHHXSL-UHFFFAOYSA-N -1 3 377.235 3.538 20 0 GHADHM O=C(NCCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823223538 607203678 /nfs/dbraw/zinc/20/36/78/607203678.db2.gz CCJJPHYUPHHXSL-UHFFFAOYSA-N -1 3 377.235 3.538 20 0 GHADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000819844332 607235329 /nfs/dbraw/zinc/23/53/29/607235329.db2.gz CXZCLTJIUJXSKK-UHFFFAOYSA-N -1 3 381.461 3.652 20 0 GHADHM CC(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000819844332 607235330 /nfs/dbraw/zinc/23/53/30/607235330.db2.gz CXZCLTJIUJXSKK-UHFFFAOYSA-N -1 3 381.461 3.652 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823455013 607250856 /nfs/dbraw/zinc/25/08/56/607250856.db2.gz VGXGELXEOURWRJ-INIZCTEOSA-N -1 3 397.429 3.772 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823455013 607250857 /nfs/dbraw/zinc/25/08/57/607250857.db2.gz VGXGELXEOURWRJ-INIZCTEOSA-N -1 3 397.429 3.772 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824914950 607782233 /nfs/dbraw/zinc/78/22/33/607782233.db2.gz AOMHXTHAKNYIFU-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824914950 607782234 /nfs/dbraw/zinc/78/22/34/607782234.db2.gz AOMHXTHAKNYIFU-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825128151 607782377 /nfs/dbraw/zinc/78/23/77/607782377.db2.gz RFBMGGDUPXZIHA-QGZVFWFLSA-N -1 3 396.520 3.579 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825128151 607782378 /nfs/dbraw/zinc/78/23/78/607782378.db2.gz RFBMGGDUPXZIHA-QGZVFWFLSA-N -1 3 396.520 3.579 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)s1 ZINC000826322902 607788732 /nfs/dbraw/zinc/78/87/32/607788732.db2.gz GNIMPIKYMFHBMX-UHFFFAOYSA-N -1 3 396.501 3.566 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)s1 ZINC000826322902 607788733 /nfs/dbraw/zinc/78/87/33/607788733.db2.gz GNIMPIKYMFHBMX-UHFFFAOYSA-N -1 3 396.501 3.566 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CC1CCCCC1)c1ccccn1 ZINC000826468634 607791804 /nfs/dbraw/zinc/79/18/04/607791804.db2.gz AYFXRYPXKJUYFS-UHFFFAOYSA-N -1 3 398.417 3.767 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CC1CCCCC1)c1ccccn1 ZINC000826468634 607791805 /nfs/dbraw/zinc/79/18/05/607791805.db2.gz AYFXRYPXKJUYFS-UHFFFAOYSA-N -1 3 398.417 3.767 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825654161 607792986 /nfs/dbraw/zinc/79/29/86/607792986.db2.gz PYZBEOHEZPYGJH-UHFFFAOYSA-N -1 3 393.419 3.674 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825654161 607792987 /nfs/dbraw/zinc/79/29/87/607792987.db2.gz PYZBEOHEZPYGJH-UHFFFAOYSA-N -1 3 393.419 3.674 20 0 GHADHM CCN(C(=O)c1cc(C)nc2onc(C(C)C)c21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379497 607796517 /nfs/dbraw/zinc/79/65/17/607796517.db2.gz FWMLSXXLTGZYNS-UHFFFAOYSA-N -1 3 391.435 3.501 20 0 GHADHM CCN(C(=O)c1cc(C)nc2onc(C(C)C)c21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379497 607796518 /nfs/dbraw/zinc/79/65/18/607796518.db2.gz FWMLSXXLTGZYNS-UHFFFAOYSA-N -1 3 391.435 3.501 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377205 607798288 /nfs/dbraw/zinc/79/82/88/607798288.db2.gz WSLWNFXBOUGFCP-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(C(=O)c1cc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377205 607798289 /nfs/dbraw/zinc/79/82/89/607798289.db2.gz WSLWNFXBOUGFCP-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825653672 607800896 /nfs/dbraw/zinc/80/08/96/607800896.db2.gz HRIPHVXQZKCRAH-LBPRGKRZSA-N -1 3 388.374 3.662 20 0 GHADHM CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825653672 607800897 /nfs/dbraw/zinc/80/08/97/607800897.db2.gz HRIPHVXQZKCRAH-LBPRGKRZSA-N -1 3 388.374 3.662 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@H]2CCCc3ccc(F)cc32)n1 ZINC000825559212 607808850 /nfs/dbraw/zinc/80/88/50/607808850.db2.gz DPHHTJRTURCREB-INIZCTEOSA-N -1 3 399.451 3.747 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@H]2CCCc3ccc(F)cc32)n1 ZINC000825559212 607808851 /nfs/dbraw/zinc/80/88/51/607808851.db2.gz DPHHTJRTURCREB-INIZCTEOSA-N -1 3 399.451 3.747 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000825621856 607816750 /nfs/dbraw/zinc/81/67/50/607816750.db2.gz ZFEKRAFAIAJBJI-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000825621856 607816751 /nfs/dbraw/zinc/81/67/51/607816751.db2.gz ZFEKRAFAIAJBJI-LBPRGKRZSA-N -1 3 385.855 3.736 20 0 GHADHM C[C@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824469775 607819095 /nfs/dbraw/zinc/81/90/95/607819095.db2.gz BYKXIINKOMKNKH-KBXCAEBGSA-N -1 3 379.464 3.600 20 0 GHADHM C[C@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824469775 607819096 /nfs/dbraw/zinc/81/90/96/607819096.db2.gz BYKXIINKOMKNKH-KBXCAEBGSA-N -1 3 379.464 3.600 20 0 GHADHM COCc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826164836 607833374 /nfs/dbraw/zinc/83/33/74/607833374.db2.gz SWCCVJAGWCCYLL-UHFFFAOYSA-N -1 3 378.219 3.572 20 0 GHADHM COCc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826164836 607833375 /nfs/dbraw/zinc/83/33/75/607833375.db2.gz SWCCVJAGWCCYLL-UHFFFAOYSA-N -1 3 378.219 3.572 20 0 GHADHM CN(c1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1)C1CC1 ZINC000826010091 607844612 /nfs/dbraw/zinc/84/46/12/607844612.db2.gz CFVYUSZQJAVSAM-UHFFFAOYSA-N -1 3 378.914 3.868 20 0 GHADHM CN(c1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1)C1CC1 ZINC000826010091 607844613 /nfs/dbraw/zinc/84/46/13/607844613.db2.gz CFVYUSZQJAVSAM-UHFFFAOYSA-N -1 3 378.914 3.868 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cccc1-c1ccccn1 ZINC000826234447 607861173 /nfs/dbraw/zinc/86/11/73/607861173.db2.gz XDPFUOBCPUZJNQ-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cccc1-c1ccccn1 ZINC000826234447 607861174 /nfs/dbraw/zinc/86/11/74/607861174.db2.gz XDPFUOBCPUZJNQ-UHFFFAOYSA-N -1 3 396.454 3.656 20 0 GHADHM CCN(C(=O)COc1c(C)cccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371930 607878718 /nfs/dbraw/zinc/87/87/18/607878718.db2.gz NKCCZYNZPGZGQT-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM CCN(C(=O)COc1c(C)cccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371930 607878719 /nfs/dbraw/zinc/87/87/19/607878719.db2.gz NKCCZYNZPGZGQT-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CCC1 ZINC000824506215 607917321 /nfs/dbraw/zinc/91/73/21/607917321.db2.gz MRVGZXNVKSOZMQ-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CCC1 ZINC000824506215 607917322 /nfs/dbraw/zinc/91/73/22/607917322.db2.gz MRVGZXNVKSOZMQ-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)Cc2cccc(Cl)c2)s1 ZINC000825694361 607925287 /nfs/dbraw/zinc/92/52/87/607925287.db2.gz OVIXMRKVLYWSLC-SNVBAGLBSA-N -1 3 375.885 3.961 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)Cc2cccc(Cl)c2)s1 ZINC000825694361 607925288 /nfs/dbraw/zinc/92/52/88/607925288.db2.gz OVIXMRKVLYWSLC-SNVBAGLBSA-N -1 3 375.885 3.961 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825159171 607950863 /nfs/dbraw/zinc/95/08/63/607950863.db2.gz KPWAAUACQZMQIS-LJQANCHMSA-N -1 3 391.475 3.737 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825159171 607950864 /nfs/dbraw/zinc/95/08/64/607950864.db2.gz KPWAAUACQZMQIS-LJQANCHMSA-N -1 3 391.475 3.737 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(OC(F)F)c1 ZINC000825782862 607975204 /nfs/dbraw/zinc/97/52/04/607975204.db2.gz SDVUBZJLIMOASK-UHFFFAOYSA-N -1 3 386.362 3.513 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(OC(F)F)c1 ZINC000825782862 607975205 /nfs/dbraw/zinc/97/52/05/607975205.db2.gz SDVUBZJLIMOASK-UHFFFAOYSA-N -1 3 386.362 3.513 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000825610024 607981649 /nfs/dbraw/zinc/98/16/49/607981649.db2.gz WOERVUFGARXDGK-CQSZACIVSA-N -1 3 395.246 3.685 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000825610024 607981650 /nfs/dbraw/zinc/98/16/50/607981650.db2.gz WOERVUFGARXDGK-CQSZACIVSA-N -1 3 395.246 3.685 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3sc(C)c(C)c3-c3nnn[n-]3)cs2)n1C ZINC000826350191 608000403 /nfs/dbraw/zinc/00/04/03/608000403.db2.gz LOIBCICOQXHHEA-UHFFFAOYSA-N -1 3 399.505 3.568 20 0 GHADHM Cc1ccc(-c2nc(C(=O)Nc3sc(C)c(C)c3-c3nn[n-]n3)cs2)n1C ZINC000826350191 608000404 /nfs/dbraw/zinc/00/04/04/608000404.db2.gz LOIBCICOQXHHEA-UHFFFAOYSA-N -1 3 399.505 3.568 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccc[nH]1 ZINC000824506362 608031052 /nfs/dbraw/zinc/03/10/52/608031052.db2.gz NJDYZPWXVUOQND-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc[nH]1 ZINC000824506362 608031053 /nfs/dbraw/zinc/03/10/53/608031053.db2.gz NJDYZPWXVUOQND-CYBMUJFWSA-N -1 3 389.419 3.870 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CN(Cc1cccs1)CC(F)(F)F ZINC000826182188 608044441 /nfs/dbraw/zinc/04/44/41/608044441.db2.gz CKDQNBVVAZFLDR-UHFFFAOYSA-N -1 3 383.399 3.501 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1cccs1)CC(F)(F)F ZINC000826182188 608044442 /nfs/dbraw/zinc/04/44/42/608044442.db2.gz CKDQNBVVAZFLDR-UHFFFAOYSA-N -1 3 383.399 3.501 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cccc(Br)c2C)n1 ZINC000826324222 608077035 /nfs/dbraw/zinc/07/70/35/608077035.db2.gz JAZBGPHXHYEELP-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cccc(Br)c2C)n1 ZINC000826324222 608077036 /nfs/dbraw/zinc/07/70/36/608077036.db2.gz JAZBGPHXHYEELP-UHFFFAOYSA-N -1 3 391.298 3.637 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C1CC1 ZINC000825083269 608106284 /nfs/dbraw/zinc/10/62/84/608106284.db2.gz ZEZOVJIAJINMDR-NSHDSACASA-N -1 3 380.456 3.864 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C1CC1 ZINC000825083269 608106285 /nfs/dbraw/zinc/10/62/85/608106285.db2.gz ZEZOVJIAJINMDR-NSHDSACASA-N -1 3 380.456 3.864 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825318885 608116436 /nfs/dbraw/zinc/11/64/36/608116436.db2.gz SZNKEGVCZIEISQ-UHFFFAOYSA-N -1 3 391.809 3.851 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825318885 608116437 /nfs/dbraw/zinc/11/64/37/608116437.db2.gz SZNKEGVCZIEISQ-UHFFFAOYSA-N -1 3 391.809 3.851 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H](C3CC3)C2)cc1 ZINC000826255325 608116782 /nfs/dbraw/zinc/11/67/82/608116782.db2.gz TZMSFRJTGUNZMS-SFHVURJKSA-N -1 3 389.459 3.840 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H](C3CC3)C2)cc1 ZINC000826255325 608116783 /nfs/dbraw/zinc/11/67/83/608116783.db2.gz TZMSFRJTGUNZMS-SFHVURJKSA-N -1 3 389.459 3.840 20 0 GHADHM CC(C)n1cccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824371786 608121927 /nfs/dbraw/zinc/12/19/27/608121927.db2.gz SIOWEHTUCDFAQD-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264095 608131503 /nfs/dbraw/zinc/13/15/03/608131503.db2.gz BSIUVSNCECDHHM-QGZVFWFLSA-N -1 3 393.516 3.592 20 0 GHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264095 608131504 /nfs/dbraw/zinc/13/15/04/608131504.db2.gz BSIUVSNCECDHHM-QGZVFWFLSA-N -1 3 393.516 3.592 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1csc2ccccc12 ZINC000826162750 608136499 /nfs/dbraw/zinc/13/64/99/608136499.db2.gz QUNIDYLYESPPHS-UHFFFAOYSA-N -1 3 381.461 3.719 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1csc2ccccc12 ZINC000826162750 608136500 /nfs/dbraw/zinc/13/65/00/608136500.db2.gz QUNIDYLYESPPHS-UHFFFAOYSA-N -1 3 381.461 3.719 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000826317935 608172250 /nfs/dbraw/zinc/17/22/50/608172250.db2.gz QFELCZFTMVWHSH-CYBMUJFWSA-N -1 3 390.403 3.825 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000825792975 608174374 /nfs/dbraw/zinc/17/43/74/608174374.db2.gz HOWWGQQVYJKRIL-UHFFFAOYSA-N -1 3 399.414 3.749 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000825792975 608174375 /nfs/dbraw/zinc/17/43/75/608174375.db2.gz HOWWGQQVYJKRIL-UHFFFAOYSA-N -1 3 399.414 3.749 20 0 GHADHM C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722139 608181663 /nfs/dbraw/zinc/18/16/63/608181663.db2.gz GQGDAYWZMCLGCE-CYBMUJFWSA-N -1 3 380.452 3.566 20 0 GHADHM C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722139 608181665 /nfs/dbraw/zinc/18/16/65/608181665.db2.gz GQGDAYWZMCLGCE-CYBMUJFWSA-N -1 3 380.452 3.566 20 0 GHADHM Cc1cccc(C2=CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)c1 ZINC000826297848 608209485 /nfs/dbraw/zinc/20/94/85/608209485.db2.gz VCIHWOLYEZJXQN-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1cccc(C2=CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CC2)c1 ZINC000826297848 608209487 /nfs/dbraw/zinc/20/94/87/608209487.db2.gz VCIHWOLYEZJXQN-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Brc1csc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000823838869 608223259 /nfs/dbraw/zinc/22/32/59/608223259.db2.gz WAENNVKOFJIJLU-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Brc1csc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000823838869 608223261 /nfs/dbraw/zinc/22/32/61/608223261.db2.gz WAENNVKOFJIJLU-UHFFFAOYSA-N -1 3 387.266 3.851 20 0 GHADHM Cc1ccc(OC(F)F)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826292050 608232119 /nfs/dbraw/zinc/23/21/19/608232119.db2.gz GGENUUVLNMJSJE-UHFFFAOYSA-N -1 3 382.374 3.937 20 0 GHADHM Cc1ccc(OC(F)F)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826292050 608232121 /nfs/dbraw/zinc/23/21/21/608232121.db2.gz GGENUUVLNMJSJE-UHFFFAOYSA-N -1 3 382.374 3.937 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367551 608236443 /nfs/dbraw/zinc/23/64/43/608236443.db2.gz SNCCILKYPHLVEV-IWOOQVRJSA-N -1 3 386.459 3.971 20 0 GHADHM CCN(C(=O)C=Cc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367551 608236444 /nfs/dbraw/zinc/23/64/44/608236444.db2.gz SNCCILKYPHLVEV-IWOOQVRJSA-N -1 3 386.459 3.971 20 0 GHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nn1-c1ccccc1 ZINC000826271580 608236904 /nfs/dbraw/zinc/23/69/04/608236904.db2.gz XSIJXZSUIMQISZ-UHFFFAOYSA-N -1 3 397.389 3.574 20 0 GHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nn1-c1ccccc1 ZINC000826271580 608236906 /nfs/dbraw/zinc/23/69/06/608236906.db2.gz XSIJXZSUIMQISZ-UHFFFAOYSA-N -1 3 397.389 3.574 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2sc(C)c(C)c21 ZINC000826173869 608261116 /nfs/dbraw/zinc/26/11/16/608261116.db2.gz YPPVBANRBHMUDI-UHFFFAOYSA-N -1 3 384.490 3.789 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2sc(C)c(C)c21 ZINC000826173869 608261117 /nfs/dbraw/zinc/26/11/17/608261117.db2.gz YPPVBANRBHMUDI-UHFFFAOYSA-N -1 3 384.490 3.789 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826520606 608279376 /nfs/dbraw/zinc/27/93/76/608279376.db2.gz NYLGZJPLIZGUMQ-PXNSSMCTSA-N -1 3 390.491 3.720 20 0 GHADHM c1ccc([C@@H]2OCCC[C@H]2CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826520606 608279377 /nfs/dbraw/zinc/27/93/77/608279377.db2.gz NYLGZJPLIZGUMQ-PXNSSMCTSA-N -1 3 390.491 3.720 20 0 GHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1Br ZINC000824606254 608284158 /nfs/dbraw/zinc/28/41/58/608284158.db2.gz PELZWPXNMZANLB-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CCN(C(=O)c1cc(C)c(OC)c(C)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380515 608299499 /nfs/dbraw/zinc/29/94/99/608299499.db2.gz PPKLYGGDBRBILU-HNNXBMFYSA-N -1 3 379.464 3.715 20 0 GHADHM CCN(C(=O)c1cc(C)c(OC)c(C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380515 608299501 /nfs/dbraw/zinc/29/95/01/608299501.db2.gz PPKLYGGDBRBILU-HNNXBMFYSA-N -1 3 379.464 3.715 20 0 GHADHM CCc1c(C)sc(NC(=O)C=Cc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000825687574 608304865 /nfs/dbraw/zinc/30/48/65/608304865.db2.gz JKEIZHRWTPMOCY-ALCCZGGFSA-N -1 3 378.461 3.932 20 0 GHADHM CCc1c(C)sc(NC(=O)C=Cc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000825687574 608304867 /nfs/dbraw/zinc/30/48/67/608304867.db2.gz JKEIZHRWTPMOCY-ALCCZGGFSA-N -1 3 378.461 3.932 20 0 GHADHM O=C(OCc1cnoc1C1CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826468093 608317857 /nfs/dbraw/zinc/31/78/57/608317857.db2.gz YZJZSJYTGIEBGZ-UHFFFAOYSA-N -1 3 387.399 3.756 20 0 GHADHM O=C(OCc1cnoc1C1CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826468093 608317859 /nfs/dbraw/zinc/31/78/59/608317859.db2.gz YZJZSJYTGIEBGZ-UHFFFAOYSA-N -1 3 387.399 3.756 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(-c2nc(C)co2)ccc1C ZINC000826170917 608321427 /nfs/dbraw/zinc/32/14/27/608321427.db2.gz VGJKMSXOHQFTKZ-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(-c2nc(C)co2)ccc1C ZINC000826170917 608321429 /nfs/dbraw/zinc/32/14/29/608321429.db2.gz VGJKMSXOHQFTKZ-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC)cs1 ZINC000825576376 608322139 /nfs/dbraw/zinc/32/21/39/608322139.db2.gz FHTMWILQZAYSOU-LLVKDONJSA-N -1 3 391.522 3.863 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC)cs1 ZINC000825576376 608322141 /nfs/dbraw/zinc/32/21/41/608322141.db2.gz FHTMWILQZAYSOU-LLVKDONJSA-N -1 3 391.522 3.863 20 0 GHADHM CC(=O)c1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000824030202 608328615 /nfs/dbraw/zinc/32/86/15/608328615.db2.gz ZEXSYIWZQBOHFF-UHFFFAOYSA-N -1 3 397.438 3.666 20 0 GHADHM CC(=O)c1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000824030202 608328617 /nfs/dbraw/zinc/32/86/17/608328617.db2.gz ZEXSYIWZQBOHFF-UHFFFAOYSA-N -1 3 397.438 3.666 20 0 GHADHM Cc1scc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1C ZINC000826350393 608341327 /nfs/dbraw/zinc/34/13/27/608341327.db2.gz UDGJWHAMMNYJEX-UHFFFAOYSA-N -1 3 379.445 3.985 20 0 GHADHM Cc1scc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1C ZINC000826350393 608341329 /nfs/dbraw/zinc/34/13/29/608341329.db2.gz UDGJWHAMMNYJEX-UHFFFAOYSA-N -1 3 379.445 3.985 20 0 GHADHM Cc1noc(C(F)F)c1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826338332 608349218 /nfs/dbraw/zinc/34/92/18/608349218.db2.gz SCJSQBBCPXKLAP-UHFFFAOYSA-N -1 3 382.396 3.712 20 0 GHADHM C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824908185 608356222 /nfs/dbraw/zinc/35/62/22/608356222.db2.gz NIFXWKRFHMVIPH-HUUCEWRRSA-N -1 3 376.464 3.616 20 0 GHADHM C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824908185 608356224 /nfs/dbraw/zinc/35/62/24/608356224.db2.gz NIFXWKRFHMVIPH-HUUCEWRRSA-N -1 3 376.464 3.616 20 0 GHADHM CC(C)(C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CCCCC1 ZINC000824064175 608379921 /nfs/dbraw/zinc/37/99/21/608379921.db2.gz AHEAWYDAPZKBNE-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC(C)(C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCCC1 ZINC000824064175 608379922 /nfs/dbraw/zinc/37/99/22/608379922.db2.gz AHEAWYDAPZKBNE-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC(C)C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000824237778 608425724 /nfs/dbraw/zinc/42/57/24/608425724.db2.gz WCQFWRBGEIXJFL-SFHVURJKSA-N -1 3 389.463 3.794 20 0 GHADHM CC(C)C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000824237778 608425726 /nfs/dbraw/zinc/42/57/26/608425726.db2.gz WCQFWRBGEIXJFL-SFHVURJKSA-N -1 3 389.463 3.794 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Oc2ccccc2)nc1 ZINC000826466896 608443910 /nfs/dbraw/zinc/44/39/10/608443910.db2.gz XZSOSQUBMNESJK-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Oc2ccccc2)nc1 ZINC000826466896 608443911 /nfs/dbraw/zinc/44/39/11/608443911.db2.gz XZSOSQUBMNESJK-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824119539 608455345 /nfs/dbraw/zinc/45/53/45/608455345.db2.gz KNIYBLCDIYZXBG-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824119539 608455347 /nfs/dbraw/zinc/45/53/47/608455347.db2.gz KNIYBLCDIYZXBG-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM c1cc(-c2nc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cs2)co1 ZINC000823867550 608463144 /nfs/dbraw/zinc/46/31/44/608463144.db2.gz CEGIWZVCOHBYRI-UHFFFAOYSA-N -1 3 390.472 3.873 20 0 GHADHM COc1cccc(-c2nc(CN[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826213617 608464418 /nfs/dbraw/zinc/46/44/18/608464418.db2.gz DTDNBFAAUAEQJL-CYBMUJFWSA-N -1 3 392.488 3.850 20 0 GHADHM O=C(Nc1cccc2cccnc21)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826456922 608469928 /nfs/dbraw/zinc/46/99/28/608469928.db2.gz DVEMCXJWTDMJTI-UHFFFAOYSA-N -1 3 397.442 3.736 20 0 GHADHM O=C(Nc1cccc2cccnc21)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826456922 608469929 /nfs/dbraw/zinc/46/99/29/608469929.db2.gz DVEMCXJWTDMJTI-UHFFFAOYSA-N -1 3 397.442 3.736 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826170262 608470606 /nfs/dbraw/zinc/47/06/06/608470606.db2.gz UKUJGPUFEBJONX-OAHLLOKOSA-N -1 3 395.360 3.798 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826170262 608470608 /nfs/dbraw/zinc/47/06/08/608470608.db2.gz UKUJGPUFEBJONX-OAHLLOKOSA-N -1 3 395.360 3.798 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826184240 608470753 /nfs/dbraw/zinc/47/07/53/608470753.db2.gz PQRZPUQEKXRBFM-OAHLLOKOSA-N -1 3 395.360 3.798 20 0 GHADHM CSc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826230740 608470867 /nfs/dbraw/zinc/47/08/67/608470867.db2.gz IBLMUEBZQIOTHR-UHFFFAOYSA-N -1 3 392.488 3.910 20 0 GHADHM CSc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826230740 608470869 /nfs/dbraw/zinc/47/08/69/608470869.db2.gz IBLMUEBZQIOTHR-UHFFFAOYSA-N -1 3 392.488 3.910 20 0 GHADHM Fc1ccc([C@H](CC(F)(F)F)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826373494 608471048 /nfs/dbraw/zinc/47/10/48/608471048.db2.gz OHTXHOKKXZSVNE-HNNXBMFYSA-N -1 3 383.324 3.928 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316371 608478685 /nfs/dbraw/zinc/47/86/85/608478685.db2.gz LZRRPVZTFAHWJV-ROUUACIJSA-N -1 3 391.500 3.656 20 0 GHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826316371 608478688 /nfs/dbraw/zinc/47/86/88/608478688.db2.gz LZRRPVZTFAHWJV-ROUUACIJSA-N -1 3 391.500 3.656 20 0 GHADHM Cc1ccc2cc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2n1 ZINC000826294802 608485079 /nfs/dbraw/zinc/48/50/79/608485079.db2.gz DBVVRZGMRWOZTL-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM Cc1ccc2cc(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)ccc2n1 ZINC000826294802 608485080 /nfs/dbraw/zinc/48/50/80/608485080.db2.gz DBVVRZGMRWOZTL-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM CSc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230825 608547392 /nfs/dbraw/zinc/54/73/92/608547392.db2.gz LAQSCRGDJFUUKB-KRWDZBQOSA-N -1 3 394.504 3.505 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825434507 608573714 /nfs/dbraw/zinc/57/37/14/608573714.db2.gz AGQBGINQSHHCGV-UHFFFAOYSA-N -1 3 382.276 3.897 20 0 GHADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825434507 608573716 /nfs/dbraw/zinc/57/37/16/608573716.db2.gz AGQBGINQSHHCGV-UHFFFAOYSA-N -1 3 382.276 3.897 20 0 GHADHM COc1ccc(F)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826209160 608608928 /nfs/dbraw/zinc/60/89/28/608608928.db2.gz PDLGWGXGNPPGEM-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM COc1ccc(F)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826209160 608608930 /nfs/dbraw/zinc/60/89/30/608608930.db2.gz PDLGWGXGNPPGEM-UHFFFAOYSA-N -1 3 398.442 3.705 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1F)Cc1ccccc1OC(F)(F)F ZINC000825981796 608644585 /nfs/dbraw/zinc/64/45/85/608644585.db2.gz YDKIBASCNJCULP-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1F)Cc1ccccc1OC(F)(F)F ZINC000825981796 608644587 /nfs/dbraw/zinc/64/45/87/608644587.db2.gz YDKIBASCNJCULP-UHFFFAOYSA-N -1 3 381.333 3.536 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)[C@@H](C)CO2)c1 ZINC000826284807 608651943 /nfs/dbraw/zinc/65/19/43/608651943.db2.gz GTCMERPEPLXHRP-KXBFYZLASA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)[C@@H](C)CO2)c1 ZINC000826284807 608651946 /nfs/dbraw/zinc/65/19/46/608651946.db2.gz GTCMERPEPLXHRP-KXBFYZLASA-N -1 3 381.455 3.585 20 0 GHADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)c(C)cc1Br ZINC000826260962 608667763 /nfs/dbraw/zinc/66/77/63/608667763.db2.gz LEEHCBMLFGOYPC-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)c(C)cc1Br ZINC000826260962 608667765 /nfs/dbraw/zinc/66/77/65/608667765.db2.gz LEEHCBMLFGOYPC-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)o1)[C@H](c1ccccc1)C2 ZINC000826213113 608740749 /nfs/dbraw/zinc/74/07/49/608740749.db2.gz LKXWQCUNNZQLTA-FQEVSTJZSA-N -1 3 387.443 3.768 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)o1)[C@H](c1ccccc1)C2 ZINC000826213113 608740750 /nfs/dbraw/zinc/74/07/50/608740750.db2.gz LKXWQCUNNZQLTA-FQEVSTJZSA-N -1 3 387.443 3.768 20 0 GHADHM FC(F)(F)c1ccn(-c2ccc(CNc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826369053 608871762 /nfs/dbraw/zinc/87/17/62/608871762.db2.gz KTXFGUFVDFMRQO-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccn(-c2ccc(CNc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826369053 608871767 /nfs/dbraw/zinc/87/17/67/608871767.db2.gz KTXFGUFVDFMRQO-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826180134 609143656 /nfs/dbraw/zinc/14/36/56/609143656.db2.gz TWAWOSLDKHGCRR-MNOVXSKESA-N -1 3 389.406 3.574 20 0 GHADHM COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826180134 609143658 /nfs/dbraw/zinc/14/36/58/609143658.db2.gz TWAWOSLDKHGCRR-MNOVXSKESA-N -1 3 389.406 3.574 20 0 GHADHM Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000826273921 609148950 /nfs/dbraw/zinc/14/89/50/609148950.db2.gz ZYSDAFINWJPQHZ-ZDUSSCGKSA-N -1 3 378.411 3.820 20 0 GHADHM Cc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000826273921 609148951 /nfs/dbraw/zinc/14/89/51/609148951.db2.gz ZYSDAFINWJPQHZ-ZDUSSCGKSA-N -1 3 378.411 3.820 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC000826233405 609167395 /nfs/dbraw/zinc/16/73/95/609167395.db2.gz GCQLNEBJSYAFLB-ZDUSSCGKSA-N -1 3 376.420 3.609 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC000826233405 609167396 /nfs/dbraw/zinc/16/73/96/609167396.db2.gz GCQLNEBJSYAFLB-ZDUSSCGKSA-N -1 3 376.420 3.609 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478335 609177062 /nfs/dbraw/zinc/17/70/62/609177062.db2.gz ZMMFFLCYODCIDF-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826478335 609177064 /nfs/dbraw/zinc/17/70/64/609177064.db2.gz ZMMFFLCYODCIDF-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Br)c(F)c1 ZINC000825481432 609179456 /nfs/dbraw/zinc/17/94/56/609179456.db2.gz YUWOUMIGPJJYLT-UHFFFAOYSA-N -1 3 391.248 3.812 20 0 GHADHM Cn1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826362980 609188847 /nfs/dbraw/zinc/18/88/47/609188847.db2.gz QRDQLXSCSFHWRI-UHFFFAOYSA-N -1 3 392.850 3.706 20 0 GHADHM Cn1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826362980 609188848 /nfs/dbraw/zinc/18/88/48/609188848.db2.gz QRDQLXSCSFHWRI-UHFFFAOYSA-N -1 3 392.850 3.706 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Br ZINC000826209681 609235849 /nfs/dbraw/zinc/23/58/49/609235849.db2.gz LWXLHXHRGPYPDE-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Br ZINC000826209681 609235851 /nfs/dbraw/zinc/23/58/51/609235851.db2.gz LWXLHXHRGPYPDE-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COCCCOc1ccccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826157077 609276848 /nfs/dbraw/zinc/27/68/48/609276848.db2.gz GTJLISCPAIPYDF-SFHVURJKSA-N -1 3 379.464 3.772 20 0 GHADHM COCCCOc1ccccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826157077 609276850 /nfs/dbraw/zinc/27/68/50/609276850.db2.gz GTJLISCPAIPYDF-SFHVURJKSA-N -1 3 379.464 3.772 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826290625 609280560 /nfs/dbraw/zinc/28/05/60/609280560.db2.gz SIKZUIJGPVVJDQ-SFHVURJKSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826290625 609280562 /nfs/dbraw/zinc/28/05/62/609280562.db2.gz SIKZUIJGPVVJDQ-SFHVURJKSA-N -1 3 390.447 3.621 20 0 GHADHM Cn1c2ccc(NC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc2nc1C1CC1 ZINC000826355037 609293303 /nfs/dbraw/zinc/29/33/03/609293303.db2.gz HNRFWCFGNARRMT-UHFFFAOYSA-N -1 3 393.838 3.537 20 0 GHADHM Cn1c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc2nc1C1CC1 ZINC000826355037 609293304 /nfs/dbraw/zinc/29/33/04/609293304.db2.gz HNRFWCFGNARRMT-UHFFFAOYSA-N -1 3 393.838 3.537 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824811727 609297572 /nfs/dbraw/zinc/29/75/72/609297572.db2.gz ANXVDPNFJMZURE-QGZVFWFLSA-N -1 3 397.866 3.512 20 0 GHADHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824811727 609297573 /nfs/dbraw/zinc/29/75/73/609297573.db2.gz ANXVDPNFJMZURE-QGZVFWFLSA-N -1 3 397.866 3.512 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000826474594 609303923 /nfs/dbraw/zinc/30/39/23/609303923.db2.gz WYDPZRZMFXIAIP-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000826474594 609303925 /nfs/dbraw/zinc/30/39/25/609303925.db2.gz WYDPZRZMFXIAIP-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccc(Cl)cn2)n1 ZINC000826262288 609308128 /nfs/dbraw/zinc/30/81/28/609308128.db2.gz KNGUKNLTDYYPFA-UHFFFAOYSA-N -1 3 386.790 3.930 20 0 GHADHM O=C1CCCc2cc(OCc3ccc(-c4nnn[n-]4)cc3Br)ccc21 ZINC000826480795 609312278 /nfs/dbraw/zinc/31/22/78/609312278.db2.gz RDZBFDBDIRQLSJ-UHFFFAOYSA-N -1 3 399.248 3.727 20 0 GHADHM O=C1CCCc2cc(OCc3ccc(-c4nn[n-]n4)cc3Br)ccc21 ZINC000826480795 609312280 /nfs/dbraw/zinc/31/22/80/609312280.db2.gz RDZBFDBDIRQLSJ-UHFFFAOYSA-N -1 3 399.248 3.727 20 0 GHADHM Cc1ncc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826330590 609314840 /nfs/dbraw/zinc/31/48/40/609314840.db2.gz ZXWFBRIKPOOWLA-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM Cc1ncc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826330590 609314842 /nfs/dbraw/zinc/31/48/42/609314842.db2.gz ZXWFBRIKPOOWLA-UHFFFAOYSA-N -1 3 393.428 3.781 20 0 GHADHM FC(F)Oc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826370496 609327731 /nfs/dbraw/zinc/32/77/31/609327731.db2.gz VSROBAZETIXDFE-UHFFFAOYSA-N -1 3 397.179 3.810 20 0 GHADHM FC(F)Oc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826370496 609327733 /nfs/dbraw/zinc/32/77/33/609327733.db2.gz VSROBAZETIXDFE-UHFFFAOYSA-N -1 3 397.179 3.810 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000826474150 609328379 /nfs/dbraw/zinc/32/83/79/609328379.db2.gz CNWGQLZYWDXSDJ-IYBDPMFKSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000826474150 609328382 /nfs/dbraw/zinc/32/83/82/609328382.db2.gz CNWGQLZYWDXSDJ-IYBDPMFKSA-N -1 3 389.459 3.921 20 0 GHADHM Cn1cc(CNc2cccc3c2CCCC3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362116 609337711 /nfs/dbraw/zinc/33/77/11/609337711.db2.gz DQCKHVCAPBTTIS-UHFFFAOYSA-N -1 3 385.475 3.758 20 0 GHADHM Cn1cc(CNc2cccc3c2CCCC3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362116 609337712 /nfs/dbraw/zinc/33/77/12/609337712.db2.gz DQCKHVCAPBTTIS-UHFFFAOYSA-N -1 3 385.475 3.758 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825782847 609342790 /nfs/dbraw/zinc/34/27/90/609342790.db2.gz ROVPVNYHHSBPCU-CHWSQXEVSA-N -1 3 379.443 3.787 20 0 GHADHM CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825782847 609342792 /nfs/dbraw/zinc/34/27/92/609342792.db2.gz ROVPVNYHHSBPCU-CHWSQXEVSA-N -1 3 379.443 3.787 20 0 GHADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826162436 609346043 /nfs/dbraw/zinc/34/60/43/609346043.db2.gz BYVVLHLOCCWRQK-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826162436 609346045 /nfs/dbraw/zinc/34/60/45/609346045.db2.gz BYVVLHLOCCWRQK-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM Cc1cnn(-c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc2F)c1 ZINC000826319592 609350361 /nfs/dbraw/zinc/35/03/61/609350361.db2.gz JRRCWYALDLKMLB-GFCCVEGCSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1cnn(-c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3F)cc2F)c1 ZINC000826319592 609350363 /nfs/dbraw/zinc/35/03/63/609350363.db2.gz JRRCWYALDLKMLB-GFCCVEGCSA-N -1 3 381.390 3.812 20 0 GHADHM O=C(NCc1ccc(Cl)o1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826442424 609374723 /nfs/dbraw/zinc/37/47/23/609374723.db2.gz VMYYQUVKGDKKHZ-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NCc1ccc(Cl)o1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826442424 609374725 /nfs/dbraw/zinc/37/47/25/609374725.db2.gz VMYYQUVKGDKKHZ-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499429 609378390 /nfs/dbraw/zinc/37/83/90/609378390.db2.gz PELPODRKCFICGE-GXFFZTMASA-N -1 3 384.406 3.594 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499429 609378392 /nfs/dbraw/zinc/37/83/92/609378392.db2.gz PELPODRKCFICGE-GXFFZTMASA-N -1 3 384.406 3.594 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000825687405 609383661 /nfs/dbraw/zinc/38/36/61/609383661.db2.gz IZRJVEPUDNYAKB-GXTWGEPZSA-N -1 3 377.514 3.579 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000825687405 609383663 /nfs/dbraw/zinc/38/36/63/609383663.db2.gz IZRJVEPUDNYAKB-GXTWGEPZSA-N -1 3 377.514 3.579 20 0 GHADHM CSc1cccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1C ZINC000826231089 609408969 /nfs/dbraw/zinc/40/89/69/609408969.db2.gz WYFVEJUCRMGIPP-KRWDZBQOSA-N -1 3 394.504 3.505 20 0 GHADHM CSc1cccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1C ZINC000826231089 609408970 /nfs/dbraw/zinc/40/89/70/609408970.db2.gz WYFVEJUCRMGIPP-KRWDZBQOSA-N -1 3 394.504 3.505 20 0 GHADHM CSCCCCCCNC(=S)N(c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000826228449 609444055 /nfs/dbraw/zinc/44/40/55/609444055.db2.gz OYWZPAXCTMCYIK-UHFFFAOYSA-N -1 3 392.598 3.879 20 0 GHADHM CSCCCCCCNC(=S)N(c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000826228449 609444056 /nfs/dbraw/zinc/44/40/56/609444056.db2.gz OYWZPAXCTMCYIK-UHFFFAOYSA-N -1 3 392.598 3.879 20 0 GHADHM Cn1cc(CNc2ccc(Cl)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361722 609444184 /nfs/dbraw/zinc/44/41/84/609444184.db2.gz LDSBOBVIRLERHG-UHFFFAOYSA-N -1 3 383.818 3.672 20 0 GHADHM Cn1cc(CNc2ccc(Cl)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361722 609444186 /nfs/dbraw/zinc/44/41/86/609444186.db2.gz LDSBOBVIRLERHG-UHFFFAOYSA-N -1 3 383.818 3.672 20 0 GHADHM Cc1noc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826337777 609451178 /nfs/dbraw/zinc/45/11/78/609451178.db2.gz ATZYTECCZZJBBN-STQMWFEESA-N -1 3 375.436 3.637 20 0 GHADHM Cc1noc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826337777 609451180 /nfs/dbraw/zinc/45/11/80/609451180.db2.gz ATZYTECCZZJBBN-STQMWFEESA-N -1 3 375.436 3.637 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccccc1 ZINC000826231836 609469695 /nfs/dbraw/zinc/46/96/95/609469695.db2.gz DSCGQPPVGWAEGF-CYBMUJFWSA-N -1 3 390.472 3.656 20 0 GHADHM C[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000826231836 609469697 /nfs/dbraw/zinc/46/96/97/609469697.db2.gz DSCGQPPVGWAEGF-CYBMUJFWSA-N -1 3 390.472 3.656 20 0 GHADHM c1c(CNc2cccc(-c3nnn[n-]3)c2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000826519911 609475906 /nfs/dbraw/zinc/47/59/06/609475906.db2.gz TWVDLVAXESCWHL-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM c1c(CNc2cccc(-c3nn[n-]n3)c2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000826519911 609475907 /nfs/dbraw/zinc/47/59/07/609475907.db2.gz TWVDLVAXESCWHL-UHFFFAOYSA-N -1 3 394.442 3.727 20 0 GHADHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)ccc1OCC(F)(F)F ZINC000826179451 609478561 /nfs/dbraw/zinc/47/85/61/609478561.db2.gz OTJZPVKCWSABNT-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)ccc1OCC(F)(F)F ZINC000826179451 609478563 /nfs/dbraw/zinc/47/85/63/609478563.db2.gz OTJZPVKCWSABNT-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1SC ZINC000826179671 609478683 /nfs/dbraw/zinc/47/86/83/609478683.db2.gz YRJVUJZGXFZGDR-UHFFFAOYSA-N -1 3 385.493 3.997 20 0 GHADHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1SC ZINC000826179671 609478685 /nfs/dbraw/zinc/47/86/85/609478685.db2.gz YRJVUJZGXFZGDR-UHFFFAOYSA-N -1 3 385.493 3.997 20 0 GHADHM c1[nH]nc2cc(CNc3ccc(OCc4cccc(-c5nnn[n-]5)c4)cc3)ccc12 ZINC000826516231 609487639 /nfs/dbraw/zinc/48/76/39/609487639.db2.gz BRKIKJGPUHLTJU-UHFFFAOYSA-N -1 3 397.442 3.934 20 0 GHADHM c1[nH]nc2cc(CNc3ccc(OCc4cccc(-c5nn[n-]n5)c4)cc3)ccc12 ZINC000826516231 609487642 /nfs/dbraw/zinc/48/76/42/609487642.db2.gz BRKIKJGPUHLTJU-UHFFFAOYSA-N -1 3 397.442 3.934 20 0 GHADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824925764 609499215 /nfs/dbraw/zinc/49/92/15/609499215.db2.gz GSVGQFHZXWSVBF-KUHUBIRLSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824925764 609499216 /nfs/dbraw/zinc/49/92/16/609499216.db2.gz GSVGQFHZXWSVBF-KUHUBIRLSA-N -1 3 377.448 3.820 20 0 GHADHM CCCc1ccccc1NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825348094 609527697 /nfs/dbraw/zinc/52/76/97/609527697.db2.gz CERUUSIUNWGKHY-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1ccccc1NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825348094 609527699 /nfs/dbraw/zinc/52/76/99/609527699.db2.gz CERUUSIUNWGKHY-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826238396 609541539 /nfs/dbraw/zinc/54/15/39/609541539.db2.gz FNFZZMYOQSKDQG-LBPRGKRZSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826238396 609541540 /nfs/dbraw/zinc/54/15/40/609541540.db2.gz FNFZZMYOQSKDQG-LBPRGKRZSA-N -1 3 397.870 3.523 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826465044 609623491 /nfs/dbraw/zinc/62/34/91/609623491.db2.gz WLMUYNHYKWXPQQ-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000826465044 609623492 /nfs/dbraw/zinc/62/34/92/609623492.db2.gz WLMUYNHYKWXPQQ-UHFFFAOYSA-N -1 3 399.382 3.625 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824716046 609632135 /nfs/dbraw/zinc/63/21/35/609632135.db2.gz WGOSFPMZUAIKMS-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM C[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824716046 609632137 /nfs/dbraw/zinc/63/21/37/609632137.db2.gz WGOSFPMZUAIKMS-PSLIRLAXSA-N -1 3 393.230 3.511 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1C(=O)N(C)C ZINC000176527663 837409264 /nfs/dbraw/zinc/40/92/64/837409264.db2.gz YSPIUFJLOWRVAE-UHFFFAOYSA-N -1 3 390.505 3.593 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000113443229 837467529 /nfs/dbraw/zinc/46/75/29/837467529.db2.gz RDEVQHUEMXYHBW-HYBUGGRVSA-N -1 3 392.499 3.577 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1F ZINC000544094956 837548119 /nfs/dbraw/zinc/54/81/19/837548119.db2.gz HJIVCWVYMOJLIY-UHFFFAOYSA-N -1 3 380.372 3.570 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCCO1 ZINC000655664005 837560193 /nfs/dbraw/zinc/56/01/93/837560193.db2.gz CYGJGSRWDYLFFV-OLZOCXBDSA-N -1 3 396.734 3.729 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl 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3.694 20 0 GHADHM COCCN(Cc1ccccn1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094035026 834713948 /nfs/dbraw/zinc/71/39/48/834713948.db2.gz QHQZVOCJLJCOOV-UHFFFAOYSA-N -1 3 376.456 3.667 20 0 GHADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000510053141 834722906 /nfs/dbraw/zinc/72/29/06/834722906.db2.gz FFPKRXHRCSUCRT-OAQYLSRUSA-N -1 3 386.373 3.749 20 0 GHADHM COCCN(Cc1cccnc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094101428 834723863 /nfs/dbraw/zinc/72/38/63/834723863.db2.gz JUSKJYGKJJCOAZ-UHFFFAOYSA-N -1 3 390.483 3.861 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1[O-] ZINC000094156156 834728560 /nfs/dbraw/zinc/72/85/60/834728560.db2.gz ZKENDVRMTLRRPW-GOSISDBHSA-N -1 3 382.460 3.515 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H]1c1ccccc1Br ZINC000654881292 834728913 /nfs/dbraw/zinc/72/89/13/834728913.db2.gz LKDGUHZSBZBJKV-OAHLLOKOSA-N -1 3 388.265 3.799 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000063200717 834851323 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O=C([O-])C[C@@H]1CSCCN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000583877672 835185550 /nfs/dbraw/zinc/18/55/50/835185550.db2.gz UPSQKNFLPNGBAE-GOSISDBHSA-N -1 3 375.465 3.797 20 0 GHADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000097444595 835223278 /nfs/dbraw/zinc/22/32/78/835223278.db2.gz GASSFJPJDFYWSY-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM O=C(N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc([O-])ccc1Cl ZINC000685633464 835241477 /nfs/dbraw/zinc/24/14/77/835241477.db2.gz SCKOUEBMWHTZAX-OAHLLOKOSA-N -1 3 379.847 3.790 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)c1cccc(C)c1C ZINC001211603302 835273656 /nfs/dbraw/zinc/27/36/56/835273656.db2.gz WKVJEHHIIBEVFT-GOSISDBHSA-N -1 3 395.908 3.848 20 0 GHADHM C[C@H](c1ccccc1F)N(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429937653 844045472 /nfs/dbraw/zinc/04/54/72/844045472.db2.gz CWUBZTBSZYTLTD-LLVKDONJSA-N -1 3 391.244 3.883 20 0 GHADHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509864247 844047000 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Cc1nn(CC(C)C)c(C)c1CC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000512531446 844075348 /nfs/dbraw/zinc/07/53/48/844075348.db2.gz VACGQGUHVYFCRP-UHFFFAOYSA-N -1 3 379.508 3.766 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@H]1Cc1ccccc1 ZINC000429949729 844085471 /nfs/dbraw/zinc/08/54/71/844085471.db2.gz RJKXJJJUQBRUBU-INIZCTEOSA-N -1 3 399.292 3.758 20 0 GHADHM CC[C@H]1CN(C)c2ccccc2CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000127329311 835759628 /nfs/dbraw/zinc/75/96/28/835759628.db2.gz GKICZLNLFYRMRI-INIZCTEOSA-N -1 3 388.471 3.900 20 0 GHADHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1-c1ccccn1 ZINC000151736994 835793178 /nfs/dbraw/zinc/79/31/78/835793178.db2.gz JHHRBLNBUYXCMT-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccco1 ZINC000109311552 835798142 /nfs/dbraw/zinc/79/81/42/835798142.db2.gz BGPGHBDTKWACPT-CQSZACIVSA-N -1 3 381.270 3.561 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1cnccc1C(F)(F)F ZINC000584259812 835811500 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GHADHM COC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(Cl)c1 ZINC000472542365 836424726 /nfs/dbraw/zinc/42/47/26/836424726.db2.gz QMYBUZMNMZDUNC-LJQANCHMSA-N -1 3 399.830 3.852 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(F)cc1Br ZINC000511361372 836532890 /nfs/dbraw/zinc/53/28/90/836532890.db2.gz QSDWQRMKAUUVKW-UHFFFAOYSA-N -1 3 390.196 3.599 20 0 GHADHM CNc1nnc(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000018341786 836567232 /nfs/dbraw/zinc/56/72/32/836567232.db2.gz HOTHNRAMXXXDMY-ZETCQYMHSA-N -1 3 391.503 3.991 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 ZINC000613506429 836618229 /nfs/dbraw/zinc/61/82/29/836618229.db2.gz DXYRHTJTMOHWKF-UHFFFAOYSA-N -1 3 381.457 3.672 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000570372633 836768482 /nfs/dbraw/zinc/76/84/82/836768482.db2.gz WKLAYOFJQYCCJF-UHFFFAOYSA-N -1 3 385.482 3.764 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c1Cl ZINC000462408857 836809338 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3.764 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cccc4n[n-]nc43)s2)cc1 ZINC000187975614 838300336 /nfs/dbraw/zinc/30/03/36/838300336.db2.gz OHMOFFFJFDJUTO-NSHDSACASA-N -1 3 393.472 3.889 20 0 GHADHM Fc1cc(Br)ccc1[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000613572054 838351817 /nfs/dbraw/zinc/35/18/17/838351817.db2.gz CYZLBJHKGFSZMY-INIZCTEOSA-N -1 3 398.239 3.830 20 0 GHADHM O=S(=O)([N-]c1cccc(-c2ncc3n2CCCC3)c1)c1ccc2c(c1)CCO2 ZINC000683718828 838416505 /nfs/dbraw/zinc/41/65/05/838416505.db2.gz UBZLNPKBAWLZQM-UHFFFAOYSA-N -1 3 395.484 3.622 20 0 GHADHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3F)ccc21 ZINC000031721595 838471152 /nfs/dbraw/zinc/47/11/52/838471152.db2.gz GGDJQXSNQPIYIU-UHFFFAOYSA-N -1 3 396.443 3.812 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000125822710 838521152 /nfs/dbraw/zinc/52/11/52/838521152.db2.gz UUBALQFIXZGRNG-UHFFFAOYSA-N -1 3 396.310 3.687 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1nc(-c2ccccc2F)cs1 ZINC000683763708 838599302 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1ccccn1 ZINC000122336393 839111323 /nfs/dbraw/zinc/11/13/23/839111323.db2.gz RIWLJRFZHUWRHX-JOCHJYFZSA-N -1 3 387.439 3.524 20 0 GHADHM CCOC(=O)c1ccnc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)c1Cl ZINC000892809761 839141533 /nfs/dbraw/zinc/14/15/33/839141533.db2.gz BBCPZTLHEWGQCS-UHFFFAOYSA-N -1 3 376.796 3.584 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c(=O)[n-]1 ZINC000377235419 839151590 /nfs/dbraw/zinc/15/15/90/839151590.db2.gz YKVRQTNDJPIVAU-IBGZPJMESA-N -1 3 381.520 3.946 20 0 GHADHM CCc1cc2c([n-]c(CS(=O)(=O)Cc3ccc(Cl)cc3)nc2=O)s1 ZINC000416413098 839169486 /nfs/dbraw/zinc/16/94/86/839169486.db2.gz OOUDVXFRMFWKCI-UHFFFAOYSA-N -1 3 382.894 3.728 20 0 GHADHM Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000128109777 839221269 /nfs/dbraw/zinc/22/12/69/839221269.db2.gz RKVAEMYTFQWOSO-UHFFFAOYSA-N -1 3 383.389 3.532 20 0 GHADHM CN(C)c1ccccc1CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000460356163 839242606 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C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312343139 840274539 /nfs/dbraw/zinc/27/45/39/840274539.db2.gz LHYKPYOVLBVNQU-SECBINFHSA-N -1 3 378.675 3.605 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000431910464 840310063 /nfs/dbraw/zinc/31/00/63/840310063.db2.gz DCKAMCWXWHXZIC-UHFFFAOYSA-N -1 3 399.683 3.609 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)[n-]1 ZINC000431998118 840506530 /nfs/dbraw/zinc/50/65/30/840506530.db2.gz DMOBSMJOYZVPPE-UHFFFAOYSA-N -1 3 377.400 3.614 20 0 GHADHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000660162237 840538272 /nfs/dbraw/zinc/53/82/72/840538272.db2.gz LXEYBMVHPCYJSV-MEBBXXQBSA-N -1 3 393.814 3.759 20 0 GHADHM O=C(NCCCCOCCc1ccccc1)c1cc([O-])cc(Br)c1 ZINC000624396580 840577797 /nfs/dbraw/zinc/57/77/97/840577797.db2.gz YKTHEXKZNKBLLY-UHFFFAOYSA-N -1 3 392.293 3.924 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cnc4ccsc4c3)cc21 ZINC000432076335 840627679 /nfs/dbraw/zinc/62/76/79/840627679.db2.gz LHNPVEKGUHVEFL-UHFFFAOYSA-N -1 3 378.862 3.879 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c(=O)[n-]1 ZINC000584723223 840659774 /nfs/dbraw/zinc/65/97/74/840659774.db2.gz OMEGQWLEIQMQQS-UHFFFAOYSA-N -1 3 375.734 3.532 20 0 GHADHM COc1ccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccc(C)cc2)cc1 ZINC000581080598 840673424 /nfs/dbraw/zinc/67/34/24/840673424.db2.gz SEHXNCQMLUFKNM-OAQYLSRUSA-N -1 3 389.455 3.896 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047270585 840731674 /nfs/dbraw/zinc/73/16/74/840731674.db2.gz UJPLYVYIXWFPFT-UHFFFAOYSA-N -1 3 391.399 3.654 20 0 GHADHM CCCCS[C@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610486045 840847490 /nfs/dbraw/zinc/84/74/90/840847490.db2.gz LSUNPDFFISSRKP-SECBINFHSA-N -1 3 379.263 3.857 20 0 GHADHM C[C@@H](OCc1ccccc1)C(=O)Nc1cc(I)ccc1[O-] ZINC000610486434 840852219 /nfs/dbraw/zinc/85/22/19/840852219.db2.gz XJFHRUBLTQEWRR-LLVKDONJSA-N -1 3 397.212 3.541 20 0 GHADHM C[C@H](OCc1ccccc1)C(=O)Nc1cc(I)ccc1[O-] ZINC000610486435 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O=S(=O)([N-]C1(CF)CCC1)c1cc(C(F)(F)F)ccc1Br ZINC000581307746 841043623 /nfs/dbraw/zinc/04/36/23/841043623.db2.gz CKMOTOUSYYQUPG-UHFFFAOYSA-N -1 3 390.196 3.638 20 0 GHADHM COc1cc(Br)ccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417626353 841078018 /nfs/dbraw/zinc/07/80/18/841078018.db2.gz MWYWKIWKCWJRIL-HOTGVXAUSA-N -1 3 376.250 3.861 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000660748152 841158799 /nfs/dbraw/zinc/15/87/99/841158799.db2.gz ZUVOKFHQYVNOHQ-UHFFFAOYSA-N -1 3 394.262 3.872 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000660748416 841158956 /nfs/dbraw/zinc/15/89/56/841158956.db2.gz QSOXUIINSLPYPN-UHFFFAOYSA-N -1 3 390.487 3.545 20 0 GHADHM Cc1ccc(CNCc2cccc([O-])c2Br)c(N2CCCC2)n1 ZINC000656534286 841330726 /nfs/dbraw/zinc/33/07/26/841330726.db2.gz UHRJMKFSMQCFDR-UHFFFAOYSA-N -1 3 376.298 3.748 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)c(F)c1 ZINC000656573889 841450537 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CC(C)CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000045483404 841694467 /nfs/dbraw/zinc/69/44/67/841694467.db2.gz VNRGVITXAFOJGP-UHFFFAOYSA-N -1 3 378.469 3.745 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000661441424 841747174 /nfs/dbraw/zinc/74/71/74/841747174.db2.gz CQYPEPWXQOQROI-CQSZACIVSA-N -1 3 377.847 3.510 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000184141437 841850979 /nfs/dbraw/zinc/85/09/79/841850979.db2.gz PSYFZDQYLSGOAH-VWPQPMDRSA-N -1 3 392.499 3.902 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@H]12 ZINC000656765502 841900846 /nfs/dbraw/zinc/90/08/46/841900846.db2.gz NOVUYVXWBLGKNM-OAGGEKHMSA-N -1 3 375.856 3.855 20 0 GHADHM CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000599495466 861249109 /nfs/dbraw/zinc/24/91/09/861249109.db2.gz QMNQUNSCHSISGD-OAQYLSRUSA-N -1 3 383.448 3.778 20 0 GHADHM [O-]c1cc(F)cc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000473134302 842040617 /nfs/dbraw/zinc/04/06/17/842040617.db2.gz XITATJZIMARHSP-UHFFFAOYSA-N -1 3 383.492 3.973 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Oc4cccnc4)nc3)c[n-]c12 ZINC000130024370 842097815 /nfs/dbraw/zinc/09/78/15/842097815.db2.gz CNLKIJAVCAQUHW-UHFFFAOYSA-N -1 3 390.374 3.810 20 0 GHADHM C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1=O ZINC000581744963 842136785 /nfs/dbraw/zinc/13/67/85/842136785.db2.gz UPJRDXDYTFWOHA-XIKOKIGWSA-N -1 3 390.842 3.667 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](c1cccs1)N(C)C ZINC000471694308 842180243 /nfs/dbraw/zinc/18/02/43/842180243.db2.gz UMKOTNNFSUHWSF-CQSZACIVSA-N -1 3 382.482 3.523 20 0 GHADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@H](C)C1 ZINC001126304314 842209697 /nfs/dbraw/zinc/20/96/97/842209697.db2.gz PRGOBUIHEZDTNB-XJKCOSOUSA-N -1 3 385.501 3.884 20 0 GHADHM C[C@@H]1CC[C@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@H](C)C1 ZINC001126304312 842210045 /nfs/dbraw/zinc/21/00/45/842210045.db2.gz PRGOBUIHEZDTNB-IOASZLSFSA-N -1 3 385.501 3.884 20 0 GHADHM COc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000182265220 842271817 /nfs/dbraw/zinc/27/18/17/842271817.db2.gz KLIQODNBDVNBDE-UHFFFAOYSA-N -1 3 379.387 3.701 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3[nH]ccc32)ccc1F ZINC000171039716 861292385 /nfs/dbraw/zinc/29/23/85/861292385.db2.gz VZIQSPUVUWZOLY-UHFFFAOYSA-N -1 3 389.452 3.636 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c(C)c1 ZINC000581849904 842294820 /nfs/dbraw/zinc/29/48/20/842294820.db2.gz OEUKSQIZCIPJDF-RBUKOAKNSA-N -1 3 375.490 3.787 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1[O-] ZINC000663638086 842462321 /nfs/dbraw/zinc/46/23/21/842462321.db2.gz XTQKYRJGJASQNH-OAHLLOKOSA-N -1 3 378.472 3.651 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000512110709 842529486 /nfs/dbraw/zinc/52/94/86/842529486.db2.gz XFVRZEJDQQIFBM-UHFFFAOYSA-N -1 3 388.427 3.530 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cnn(-c2ccccc2)c1 ZINC000471794944 842558680 /nfs/dbraw/zinc/55/86/80/842558680.db2.gz WMMHDMSRAFJVRL-UHFFFAOYSA-N -1 3 399.447 3.587 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488128 842620216 /nfs/dbraw/zinc/62/02/16/842620216.db2.gz GLAUMEWWHZHONQ-IBGZPJMESA-N -1 3 397.515 3.789 20 0 GHADHM CN1CCO[C@H]([C@@H](NCc2cccc(Cl)c2[O-])c2ccc(Cl)cc2)C1 ZINC000245901207 842622400 /nfs/dbraw/zinc/62/24/00/842622400.db2.gz NVSTWTDGJVJBDJ-ROUUACIJSA-N -1 3 381.303 3.861 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000652498316 842640041 /nfs/dbraw/zinc/64/00/41/842640041.db2.gz DOPCRLZQWZVGTM-LLVKDONJSA-N -1 3 380.286 3.648 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000432299942 842703212 /nfs/dbraw/zinc/70/32/12/842703212.db2.gz CNRSVWVORXJMLX-HNNXBMFYSA-N -1 3 389.443 3.554 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1OCc1ccc(F)cc1 ZINC000247505968 842730597 /nfs/dbraw/zinc/73/05/97/842730597.db2.gz RNBXIRMDHXZGJH-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1OCc1ccc(F)cc1 ZINC000247505968 842730600 /nfs/dbraw/zinc/73/06/00/842730600.db2.gz RNBXIRMDHXZGJH-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184435982 842742033 /nfs/dbraw/zinc/74/20/33/842742033.db2.gz KAHZSZVTEMNNMZ-CQSZACIVSA-N -1 3 376.859 3.921 20 0 GHADHM CCCn1nccc1CN[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000663261716 842938842 /nfs/dbraw/zinc/93/88/42/842938842.db2.gz FRIHFTKSHFMKDF-WBMJQRKESA-N -1 3 380.286 3.607 20 0 GHADHM COc1cc(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)cc(OC)c1[O-] ZINC000187197979 842958670 /nfs/dbraw/zinc/95/86/70/842958670.db2.gz ZRYNNQFLJJYOBW-UHFFFAOYSA-N -1 3 388.851 3.527 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000184970666 842980111 /nfs/dbraw/zinc/98/01/11/842980111.db2.gz XRFCCEVLIGCHOA-CYBMUJFWSA-N -1 3 379.416 3.740 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000184913919 842985331 /nfs/dbraw/zinc/98/53/31/842985331.db2.gz CBNSFOPAVOQYNF-AWEZNQCLSA-N -1 3 397.500 3.650 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2F)c1)c1cccnc1Cl ZINC000785333221 843014735 /nfs/dbraw/zinc/01/47/35/843014735.db2.gz VELXFZPZEGPDCZ-UHFFFAOYSA-N -1 3 393.827 3.540 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599588529 861369760 /nfs/dbraw/zinc/36/97/60/861369760.db2.gz IAUMYVBKQHKQRX-ZIAGYGMSSA-N -1 3 397.475 3.881 20 0 GHADHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3CCCCC3)n2)ccc1F ZINC000471871488 843074115 /nfs/dbraw/zinc/07/41/15/843074115.db2.gz MCQYTHWVILLNOF-ZDUSSCGKSA-N -1 3 381.473 3.745 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000279475578 843074496 /nfs/dbraw/zinc/07/44/96/843074496.db2.gz HAUIDIAPJQWLHA-RBUKOAKNSA-N -1 3 380.492 3.570 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000603929115 861389430 /nfs/dbraw/zinc/38/94/30/861389430.db2.gz RGMCWDCZVUHPIF-FQEVSTJZSA-N -1 3 381.472 3.981 20 0 GHADHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000510715787 843271891 /nfs/dbraw/zinc/27/18/91/843271891.db2.gz JTPGEKOCISDYTG-UHFFFAOYSA-N -1 3 381.256 3.951 20 0 GHADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000785343025 843342058 /nfs/dbraw/zinc/34/20/58/843342058.db2.gz KWWMABSDISHTDX-HJWRWDBZSA-N -1 3 393.827 3.619 20 0 GHADHM COCCOc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1OC ZINC000432695395 843517431 /nfs/dbraw/zinc/51/74/31/843517431.db2.gz PUDBSYMTZUZIKY-XDJHFCHBSA-N -1 3 392.455 3.587 20 0 GHADHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)c1ccccc1F ZINC000500533125 843604711 /nfs/dbraw/zinc/60/47/11/843604711.db2.gz NDEMJUCTKSCCRR-UHFFFAOYSA-N -1 3 399.490 3.757 20 0 GHADHM COc1cc(OC)cc(-c2noc([N-]Cc3cc(COC(C)(C)C)on3)n2)c1 ZINC000663820066 843635492 /nfs/dbraw/zinc/63/54/92/843635492.db2.gz RDBWYLRLSSYSMR-UHFFFAOYSA-N -1 3 388.424 3.669 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)C)c(Cl)cc1Cl ZINC000023977688 843646423 /nfs/dbraw/zinc/64/64/23/843646423.db2.gz BPTDIOPQXGFKLV-NSHDSACASA-N -1 3 395.352 3.846 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]c1cncc(F)c1 ZINC000500564448 843647145 /nfs/dbraw/zinc/64/71/45/843647145.db2.gz GMMGKHMZDDKWIS-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccco1 ZINC000178985140 861448870 /nfs/dbraw/zinc/44/88/70/861448870.db2.gz XJWHAGKFGBIBMD-MRXNPFEDSA-N -1 3 389.876 3.905 20 0 GHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Br)cc3C)ccc2[nH]1 ZINC000471948716 843794723 /nfs/dbraw/zinc/79/47/23/843794723.db2.gz MPRFTTJETWQTKQ-UHFFFAOYSA-N -1 3 380.267 3.743 20 0 GHADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000429881126 843845806 /nfs/dbraw/zinc/84/58/06/843845806.db2.gz BSTWNWKNPRVNPP-WDEREUQCSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]CC1CCSCC1)c1cc(Cl)ccc1Br ZINC000429832772 843945036 /nfs/dbraw/zinc/94/50/36/843945036.db2.gz VFRIGVJYYRTHRF-UHFFFAOYSA-N -1 3 384.748 3.524 20 0 GHADHM COc1cc(C[NH2+][C@@H]2CCCCCC[C@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000277131175 844714446 /nfs/dbraw/zinc/71/44/46/844714446.db2.gz BPCCMHROIWFMAC-TZMCWYRMSA-N -1 3 386.286 3.677 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3[C@@H]4c5cccc(Cl)c5C[C@H]34)nc21 ZINC000599704743 861518509 /nfs/dbraw/zinc/51/85/09/861518509.db2.gz NTUSYAVMSYFTBN-APHBMKBZSA-N -1 3 381.819 3.527 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc([S@](C)=O)cc3)nc2)n1 ZINC000535889479 845038889 /nfs/dbraw/zinc/03/88/89/845038889.db2.gz XDCJLSKYAQXGME-QWVSSGJLSA-N -1 3 382.489 3.717 20 0 GHADHM COc1cccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433623749 845122237 /nfs/dbraw/zinc/12/22/37/845122237.db2.gz IFWZPGKBYDRVBS-UHFFFAOYSA-N -1 3 396.715 3.651 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@]3(C)CC=CCC3)cs2)c1 ZINC000458354715 845142457 /nfs/dbraw/zinc/14/24/57/845142457.db2.gz XMYSWJHLAJZQCV-FQEVSTJZSA-N -1 3 385.489 3.567 20 0 GHADHM O=C([O-])[C@@H]1CCCCCC[C@H]1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000277197978 845284640 /nfs/dbraw/zinc/28/46/40/845284640.db2.gz GHTJKAFHQOHHCY-GDBMZVCRSA-N -1 3 380.851 3.573 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001211763389 845321102 /nfs/dbraw/zinc/32/11/02/845321102.db2.gz CTTBBLYPGWWNIV-ZBFHGGJFSA-N -1 3 379.503 3.539 20 0 GHADHM CN(C(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1)C1CCOCC1 ZINC000513439047 845445277 /nfs/dbraw/zinc/44/52/77/845445277.db2.gz NMHSPAMGJXGIQL-UHFFFAOYSA-N -1 3 376.403 3.534 20 0 GHADHM Cc1ncc(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000433933922 845612130 /nfs/dbraw/zinc/61/21/30/845612130.db2.gz VWKXSRUQTDYDNO-HNNXBMFYSA-N -1 3 392.459 3.630 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000429873846 845614867 /nfs/dbraw/zinc/61/48/67/845614867.db2.gz SVUNBPPFXIHCCC-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000431362140 846433078 /nfs/dbraw/zinc/43/30/78/846433078.db2.gz DQJIJQKBBQEBAD-KRWDZBQOSA-N -1 3 385.370 3.608 20 0 GHADHM Cc1cc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)c(C)c1 ZINC000421682377 846485990 /nfs/dbraw/zinc/48/59/90/846485990.db2.gz NFWYXROBAUFHCS-UHFFFAOYSA-N -1 3 390.203 3.807 20 0 GHADHM COc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(SC)cc1OC ZINC000277498685 846509701 /nfs/dbraw/zinc/50/97/01/846509701.db2.gz XODJCPURKWLCPC-YJYMSZOUSA-N -1 3 375.490 3.977 20 0 GHADHM CN(C[C@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000563278454 846602871 /nfs/dbraw/zinc/60/28/71/846602871.db2.gz KCSBPJFSIIKUOO-SJCJKPOMSA-N -1 3 382.243 3.891 20 0 GHADHM C[C@H](NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Cl ZINC000419604639 846671727 /nfs/dbraw/zinc/67/17/27/846671727.db2.gz OCJZSDKDNVSYPH-NSHDSACASA-N -1 3 377.897 3.824 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419591873 846678829 /nfs/dbraw/zinc/67/88/29/846678829.db2.gz UTOZAENLIJJFKO-SNVBAGLBSA-N -1 3 393.896 3.982 20 0 GHADHM CC(C)n1nccc1NC(=O)[C@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419610878 846697544 /nfs/dbraw/zinc/69/75/44/846697544.db2.gz YJVWDOBZLKWFPN-AWEZNQCLSA-N -1 3 397.504 3.887 20 0 GHADHM COC(=O)[C@H](CNC(=O)c1oc2c(cccc2C)c1C)Cc1ccc([O-])c(F)c1 ZINC000422039807 846794741 /nfs/dbraw/zinc/79/47/41/846794741.db2.gz MVANGFDXXLEJGI-HNNXBMFYSA-N -1 3 399.418 3.656 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC1CCSCC1 ZINC000272502369 847093887 /nfs/dbraw/zinc/09/38/87/847093887.db2.gz IPMPMECVZBXTES-HXUWFJFHSA-N -1 3 398.528 3.513 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000501788720 847184653 /nfs/dbraw/zinc/18/46/53/847184653.db2.gz AJQHXDFAYLYILC-UHFFFAOYSA-N -1 3 388.489 3.575 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000509961307 847311975 /nfs/dbraw/zinc/31/19/75/847311975.db2.gz QTOZPGPYGTXWGI-GJZGRUSLSA-N -1 3 397.846 3.842 20 0 GHADHM COc1cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1[O-] ZINC000273576211 847375402 /nfs/dbraw/zinc/37/54/02/847375402.db2.gz MNQHBOJWJXSLOI-SJORKVTESA-N -1 3 389.423 3.541 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000673810019 861798673 /nfs/dbraw/zinc/79/86/73/861798673.db2.gz UKUZMSHBOXYRHK-PXAZEXFGSA-N -1 3 381.350 3.976 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503238558 847506787 /nfs/dbraw/zinc/50/67/87/847506787.db2.gz AUFYPKCHGSEBIS-QGZVFWFLSA-N -1 3 391.880 3.602 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000503441703 847707938 /nfs/dbraw/zinc/70/79/38/847707938.db2.gz GAPCUJSSJCWCMO-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000503441703 847707944 /nfs/dbraw/zinc/70/79/44/847707944.db2.gz GAPCUJSSJCWCMO-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000582605861 847747038 /nfs/dbraw/zinc/74/70/38/847747038.db2.gz WKKSGESNWIXRFT-XQTRSNPVSA-N -1 3 394.515 3.615 20 0 GHADHM CCOc1cc(Br)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503680375 847883619 /nfs/dbraw/zinc/88/36/19/847883619.db2.gz JBQUSOKPMKGNAC-UHFFFAOYSA-N -1 3 379.189 3.511 20 0 GHADHM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000503699160 847900316 /nfs/dbraw/zinc/90/03/16/847900316.db2.gz KKMGZYJKIATNGJ-UHFFFAOYSA-N -1 3 389.386 3.785 20 0 GHADHM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc(OCCO)cc3)ccc21 ZINC000599932724 861930695 /nfs/dbraw/zinc/93/06/95/861930695.db2.gz VAOIOVAJPLRZMT-UHFFFAOYSA-N -1 3 396.468 3.503 20 0 GHADHM COC(=O)CCCN(Cc1ccccc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647425 861932280 /nfs/dbraw/zinc/93/22/80/861932280.db2.gz WFDBAOZCYYACBO-UHFFFAOYSA-N -1 3 375.852 3.994 20 0 GHADHM COc1cccc(-c2nsc([N-]C(=O)c3ncccc3C(F)(F)F)n2)c1 ZINC000180074589 861937212 /nfs/dbraw/zinc/93/72/12/861937212.db2.gz FNGYLNBNCCAFCZ-UHFFFAOYSA-N -1 3 380.351 3.880 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3C(=O)[O-])CC[C@H]21 ZINC001142647537 861943993 /nfs/dbraw/zinc/94/39/93/861943993.db2.gz ZXVAMVKUGAPXCG-RHSMWYFYSA-N -1 3 394.899 3.870 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000731916507 861958657 /nfs/dbraw/zinc/95/86/57/861958657.db2.gz WOACJLXCYUWBGL-KRWDZBQOSA-N -1 3 390.439 3.562 20 0 GHADHM COC[C@@]1(C(=O)[O-])CCCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000583089261 849043370 /nfs/dbraw/zinc/04/33/70/849043370.db2.gz CGTDRUGXVWSNAB-LJQANCHMSA-N -1 3 378.856 3.617 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c[n-]c12 ZINC000162469575 849068045 /nfs/dbraw/zinc/06/80/45/849068045.db2.gz HHFCKXFFQHAOST-QGZVFWFLSA-N -1 3 396.418 3.786 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000123427350 849122231 /nfs/dbraw/zinc/12/22/31/849122231.db2.gz YZYUJVDIJPUUGM-SIKLNZKXSA-N -1 3 396.487 3.859 20 0 GHADHM O=C([O-])CCCCN1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000262242491 849263467 /nfs/dbraw/zinc/26/34/67/849263467.db2.gz OCZGWLCGMCEEOY-UHFFFAOYSA-N -1 3 386.467 3.782 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(NCc2ccc([O-])c(Br)c2)nn1 ZINC000155629955 849573725 /nfs/dbraw/zinc/57/37/25/849573725.db2.gz BMJUXIKOWWTLOM-UHFFFAOYSA-N -1 3 399.248 3.809 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000583351025 849685102 /nfs/dbraw/zinc/68/51/02/849685102.db2.gz FIDWETHRWCMSJN-AWEZNQCLSA-N -1 3 375.387 3.834 20 0 GHADHM CCOc1c(Cl)cc(-c2noc(-c3ccc(C(=O)OC)[n-]3)n2)cc1OC ZINC000426450221 850226923 /nfs/dbraw/zinc/22/69/23/850226923.db2.gz XEMDWPBCOJPREB-UHFFFAOYSA-N -1 3 377.784 3.579 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1cc(F)ccc1Br ZINC000435224772 850242746 /nfs/dbraw/zinc/24/27/46/850242746.db2.gz GHAAGEHQUPBFMR-LBPRGKRZSA-N -1 3 384.270 3.597 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(Cc3ccccc3OC)C3CC3)nc2)n1 ZINC000486941159 850263957 /nfs/dbraw/zinc/26/39/57/850263957.db2.gz RYNGOLZRUBONQJ-UHFFFAOYSA-N -1 3 376.460 3.984 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)[C@H]1C[C@H]1C ZINC000514809554 850318124 /nfs/dbraw/zinc/31/81/24/850318124.db2.gz BNLGCBCOLTZLTF-XCLFUZPHSA-N -1 3 375.428 3.542 20 0 GHADHM CC[C@H](C)C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749359 850321923 /nfs/dbraw/zinc/32/19/23/850321923.db2.gz RVFCCAHFWALBKV-BHYGNILZSA-N -1 3 395.569 3.710 20 0 GHADHM CCc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)N(C)C)cc1 ZINC000908755717 850332310 /nfs/dbraw/zinc/33/23/10/850332310.db2.gz ZEORNYFWZKAWFN-LEWJYISDSA-N -1 3 397.519 3.594 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871878576 891069242 /nfs/dbraw/zinc/06/92/42/891069242.db2.gz OVXMSPCVUKUIOD-GFCCVEGCSA-N -1 3 393.240 3.799 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)C2)o1 ZINC000171346012 862128053 /nfs/dbraw/zinc/12/80/53/862128053.db2.gz NOHTXPSLCAKIBN-OAHLLOKOSA-N -1 3 397.431 3.589 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)C2)o1 ZINC000171346012 862128062 /nfs/dbraw/zinc/12/80/62/862128062.db2.gz NOHTXPSLCAKIBN-OAHLLOKOSA-N -1 3 397.431 3.589 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000908859921 850434492 /nfs/dbraw/zinc/43/44/92/850434492.db2.gz WBKNFNKNMAGRBI-NHCUHLMSSA-N -1 3 397.519 3.845 20 0 GHADHM O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc([O-])ccc1Cl ZINC000487115191 850467952 /nfs/dbraw/zinc/46/79/52/850467952.db2.gz CVMWOPBPOMBACG-UHFFFAOYSA-N -1 3 375.852 3.671 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000908991130 850522203 /nfs/dbraw/zinc/52/22/03/850522203.db2.gz YFQOJJYGRWKABQ-WIYYLYMNSA-N -1 3 397.519 3.754 20 0 GHADHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000505070807 850574796 /nfs/dbraw/zinc/57/47/96/850574796.db2.gz GUVGDBLVDZRKDX-CYBMUJFWSA-N -1 3 390.699 3.923 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000519099421 850624398 /nfs/dbraw/zinc/62/43/98/850624398.db2.gz SDVBWBZBBHGIIV-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000519099421 850624407 /nfs/dbraw/zinc/62/44/07/850624407.db2.gz SDVBWBZBBHGIIV-UHFFFAOYSA-N -1 3 392.246 3.971 20 0 GHADHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000440071663 850743202 /nfs/dbraw/zinc/74/32/02/850743202.db2.gz BYMBVWBTOBMJGY-NSHDSACASA-N -1 3 384.851 3.512 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N(CCO)Cc1ccc(Br)s1 ZINC000506787703 850907447 /nfs/dbraw/zinc/90/74/47/850907447.db2.gz AGACIFNQAWPTJZ-UHFFFAOYSA-N -1 3 390.686 3.504 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000048230237 850933172 /nfs/dbraw/zinc/93/31/72/850933172.db2.gz CHIYFRQBBUIIFJ-GASCZTMLSA-N -1 3 378.469 3.549 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)c(F)cc1F ZINC000513845253 850937065 /nfs/dbraw/zinc/93/70/65/850937065.db2.gz OQJMDIOYMWFJJV-NSHDSACASA-N -1 3 382.457 3.792 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)F)c1)c1cccc(Cl)c1F ZINC000522617584 862188382 /nfs/dbraw/zinc/18/83/82/862188382.db2.gz JKLBCNRNOFENQJ-UHFFFAOYSA-N -1 3 379.787 3.602 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCc1ncccc1[O-] ZINC000435911760 850980745 /nfs/dbraw/zinc/98/07/45/850980745.db2.gz PGCHFJHDQMAWSA-UHFFFAOYSA-N -1 3 378.215 3.987 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)c(Br)c1 ZINC000732290690 862193629 /nfs/dbraw/zinc/19/36/29/862193629.db2.gz WXYKDXSFXVTTQH-SECBINFHSA-N -1 3 390.212 3.728 20 0 GHADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000519417601 851022079 /nfs/dbraw/zinc/02/20/79/851022079.db2.gz DVZLRFNHSZERQJ-UHFFFAOYSA-N -1 3 384.357 3.875 20 0 GHADHM COc1ccc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c(Br)c1[O-] ZINC000426629407 851034267 /nfs/dbraw/zinc/03/42/67/851034267.db2.gz CFADJRANZOZROL-APPDUMDISA-N -1 3 386.286 3.534 20 0 GHADHM O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)ccc12 ZINC000910197679 851042559 /nfs/dbraw/zinc/04/25/59/851042559.db2.gz MJNFJBNKGKVMDU-HNNXBMFYSA-N -1 3 395.434 3.856 20 0 GHADHM CC1(C)CCC[C@@](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)(C(=O)[O-])C1 ZINC000910217689 851058170 /nfs/dbraw/zinc/05/81/70/851058170.db2.gz FDOJQGHUVOGBKJ-VGSWGCGISA-N -1 3 390.499 3.578 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000513962302 851074681 /nfs/dbraw/zinc/07/46/81/851074681.db2.gz VCLJCKHODJXVMV-NSHDSACASA-N -1 3 399.365 3.626 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000910253896 851091628 /nfs/dbraw/zinc/09/16/28/851091628.db2.gz UENRXZBRBPBIEE-MRXNPFEDSA-N -1 3 395.297 3.801 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)c12 ZINC000910358694 851149216 /nfs/dbraw/zinc/14/92/16/851149216.db2.gz YPBCQWPYSKSWCH-CJNGLKHVSA-N -1 3 396.516 3.503 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc(OC)c1[O-] ZINC000163842021 851187974 /nfs/dbraw/zinc/18/79/74/851187974.db2.gz AYNFVFUOZHZSAI-AWEZNQCLSA-N -1 3 378.428 3.962 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436153905 851265900 /nfs/dbraw/zinc/26/59/00/851265900.db2.gz MHMRJEBJLSDBAN-UHFFFAOYSA-N -1 3 383.853 3.715 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)nnn1-c1cccc(Cl)c1 ZINC000515640316 851285012 /nfs/dbraw/zinc/28/50/12/851285012.db2.gz RKDSOUGPJUCYKC-UHFFFAOYSA-N -1 3 396.863 4.000 20 0 GHADHM CCOc1ccc(-c2nc(CC)c(C(=O)NCc3ncccc3[O-])s2)cc1 ZINC000473627439 851296973 /nfs/dbraw/zinc/29/69/73/851296973.db2.gz ADZRWDHXBIXHFT-UHFFFAOYSA-N -1 3 383.473 3.802 20 0 GHADHM O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473640742 851344005 /nfs/dbraw/zinc/34/40/05/851344005.db2.gz TYUPLOMKAWMDOT-UHFFFAOYSA-N -1 3 399.497 3.510 20 0 GHADHM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1ncccc1[O-] ZINC000473642493 851346851 /nfs/dbraw/zinc/34/68/51/851346851.db2.gz YXANXCOVYXUGNW-UHFFFAOYSA-N -1 3 393.472 3.771 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)s1 ZINC000515709023 851365473 /nfs/dbraw/zinc/36/54/73/851365473.db2.gz KVIOXXYKAGWELW-UHFFFAOYSA-N -1 3 379.503 3.539 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(Cl)cc1 ZINC000473649935 851396948 /nfs/dbraw/zinc/39/69/48/851396948.db2.gz RLSOWWNJQDNDJL-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM CCc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(Cl)cc1 ZINC000473649935 851396953 /nfs/dbraw/zinc/39/69/53/851396953.db2.gz RLSOWWNJQDNDJL-UHFFFAOYSA-N -1 3 393.838 3.521 20 0 GHADHM Cn1cc(CCNC(=O)NCc2ccc([O-])c(F)c2)c2ccc(Cl)cc21 ZINC000436270077 851413615 /nfs/dbraw/zinc/41/36/15/851413615.db2.gz MCVXBZKGAGYQSZ-UHFFFAOYSA-N -1 3 375.831 3.718 20 0 GHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000732391461 862254536 /nfs/dbraw/zinc/25/45/36/862254536.db2.gz ILLZYZKOJOXUDB-QMMMGPOBSA-N -1 3 388.729 3.643 20 0 GHADHM COc1ccccc1SC[C@H](C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000505496547 851558965 /nfs/dbraw/zinc/55/89/65/851558965.db2.gz YGJDALNRWLUXMF-CQSZACIVSA-N -1 3 382.485 3.695 20 0 GHADHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911291913 851669815 /nfs/dbraw/zinc/66/98/15/851669815.db2.gz KFKSCERJNRMXOY-UHFFFAOYSA-N -1 3 388.895 3.675 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(F)ccc1Cl ZINC000488671418 851686207 /nfs/dbraw/zinc/68/62/07/851686207.db2.gz SZUNAJAPSCZYNW-RDJZCZTQSA-N -1 3 387.835 3.817 20 0 GHADHM O=C([O-])CC1(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000911323056 851691221 /nfs/dbraw/zinc/69/12/21/851691221.db2.gz PFQNASVGOIAOGI-UHFFFAOYSA-N -1 3 390.549 3.642 20 0 GHADHM O=C([O-])[C@H](CNCc1ccc(-c2cccc(F)c2F)o1)Oc1ccc(F)cc1 ZINC000426662733 851705390 /nfs/dbraw/zinc/70/53/90/851705390.db2.gz HKYWQXRTCOARDZ-SFHVURJKSA-N -1 3 391.345 3.986 20 0 GHADHM COc1ccc(-c2ccncc2)cc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426664730 851780235 /nfs/dbraw/zinc/78/02/35/851780235.db2.gz SMGZWPHKUCYZDL-NRFANRHFSA-N -1 3 396.418 3.518 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000488827665 851804105 /nfs/dbraw/zinc/80/41/05/851804105.db2.gz VJSCUAROWYMNMV-OCCSQVGLSA-N -1 3 377.334 3.818 20 0 GHADHM Cc1cccc([C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C(C)(C)C)c1 ZINC000488844905 851814487 /nfs/dbraw/zinc/81/44/87/851814487.db2.gz XNCYSIYSXRDVDQ-OAQYLSRUSA-N -1 3 380.492 3.806 20 0 GHADHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)cs2)n1 ZINC000668878556 851822428 /nfs/dbraw/zinc/82/24/28/851822428.db2.gz KMDAFCRPOCPCLE-UHFFFAOYSA-N -1 3 396.398 3.823 20 0 GHADHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488854674 851828533 /nfs/dbraw/zinc/82/85/33/851828533.db2.gz OIODIZLQDMUCOT-RISCZKNCSA-N -1 3 383.407 3.718 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1cc(F)ccc1Cl ZINC000488885964 851838662 /nfs/dbraw/zinc/83/86/62/851838662.db2.gz OAZFSCGDSVVUOL-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000488889948 851846988 /nfs/dbraw/zinc/84/69/88/851846988.db2.gz KWFSBDCYQXQWIA-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1ccc(F)cc1C(F)(F)F ZINC000488980565 851918310 /nfs/dbraw/zinc/91/83/10/851918310.db2.gz ZENXVJONLBBARL-UHFFFAOYSA-N -1 3 399.312 3.924 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911854484 851934715 /nfs/dbraw/zinc/93/47/15/851934715.db2.gz KSPLYEYWOUYZOM-ZDUSSCGKSA-N -1 3 381.398 3.719 20 0 GHADHM O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436484530 851978207 /nfs/dbraw/zinc/97/82/07/851978207.db2.gz MVHYZEVXDYPFNG-UHFFFAOYSA-N -1 3 394.258 3.689 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1[O-] ZINC000436488616 851982658 /nfs/dbraw/zinc/98/26/58/851982658.db2.gz MAVBZJLUCXMDTN-UHFFFAOYSA-N -1 3 393.395 3.961 20 0 GHADHM CC(C)OCCCN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436520808 852010119 /nfs/dbraw/zinc/01/01/19/852010119.db2.gz AKHOUTGIGBRPCS-OAQYLSRUSA-N -1 3 398.503 3.527 20 0 GHADHM CC(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000436521421 852011852 /nfs/dbraw/zinc/01/18/52/852011852.db2.gz DQAOUZCERRQZMG-OAQYLSRUSA-N -1 3 398.478 3.692 20 0 GHADHM COc1ccc([C@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc2OC)cc1 ZINC000436522103 852012689 /nfs/dbraw/zinc/01/26/89/852012689.db2.gz RSBRQHOTRIKZOD-NRFANRHFSA-N -1 3 379.412 3.634 20 0 GHADHM O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000436528692 852019405 /nfs/dbraw/zinc/01/94/05/852019405.db2.gz YDNDOJMPQBOVLG-INIZCTEOSA-N -1 3 392.377 3.505 20 0 GHADHM CC1(C)CC[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436555110 852044384 /nfs/dbraw/zinc/04/43/84/852044384.db2.gz JKSIJILISRUYQJ-AZUAARDMSA-N -1 3 380.488 3.948 20 0 GHADHM CC1(C)CCC[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436557879 852045100 /nfs/dbraw/zinc/04/51/00/852045100.db2.gz SUIJSUOBYSGMQA-WOJBJXKFSA-N -1 3 380.488 3.948 20 0 GHADHM O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436560342 852063234 /nfs/dbraw/zinc/06/32/34/852063234.db2.gz BEQQFICPNCBJJY-UHFFFAOYSA-N -1 3 395.890 3.988 20 0 GHADHM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603192 852102910 /nfs/dbraw/zinc/10/29/10/852102910.db2.gz MGSRTGMANXPCQZ-CVDCTZTESA-N -1 3 397.540 3.962 20 0 GHADHM CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(C)ccc3[O-])cc2F)ccn1 ZINC000436606973 852106622 /nfs/dbraw/zinc/10/66/22/852106622.db2.gz RPIUEMKNKFCWHQ-UHFFFAOYSA-N -1 3 395.390 3.639 20 0 GHADHM CC(C)OCc1nc([C@@H](C)NC(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000436613572 852113659 /nfs/dbraw/zinc/11/36/59/852113659.db2.gz WGQOYDASZWNPIA-CQSZACIVSA-N -1 3 397.431 3.984 20 0 GHADHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1Cl ZINC000625548067 862321696 /nfs/dbraw/zinc/32/16/96/862321696.db2.gz AWHPQLVKCJMMTP-VIFPVBQESA-N -1 3 386.247 3.531 20 0 GHADHM CC(C)CC(=O)N1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436615095 852116242 /nfs/dbraw/zinc/11/62/42/852116242.db2.gz CZTJKVSGDALSQF-UHFFFAOYSA-N -1 3 394.515 3.750 20 0 GHADHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000516076643 852123119 /nfs/dbraw/zinc/12/31/19/852123119.db2.gz PIYSVRXIPPSQAO-FPOVZHCZSA-N -1 3 382.460 3.576 20 0 GHADHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436635248 852129945 /nfs/dbraw/zinc/12/99/45/852129945.db2.gz SFTMEPLATKCQLN-UHFFFAOYSA-N -1 3 386.801 3.667 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436639070 852132941 /nfs/dbraw/zinc/13/29/41/852132941.db2.gz IOIDCRKUBKDSQR-BTYIYWSLSA-N -1 3 384.451 3.569 20 0 GHADHM CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3c([O-])cccc3O)cc2)c1 ZINC000436650805 852138949 /nfs/dbraw/zinc/13/89/49/852138949.db2.gz XICCLPNQDQHUOL-UHFFFAOYSA-N -1 3 399.424 3.546 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c([O-])c1 ZINC000436660784 852178714 /nfs/dbraw/zinc/17/87/14/852178714.db2.gz BBJBNGGUWRAFBO-SFHVURJKSA-N -1 3 386.879 3.838 20 0 GHADHM C[C@H](CCc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436678147 852186824 /nfs/dbraw/zinc/18/68/24/852186824.db2.gz BDYISDZASVXBBZ-MRXNPFEDSA-N -1 3 398.478 3.521 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000112277149 852194380 /nfs/dbraw/zinc/19/43/80/852194380.db2.gz UZHISKVODPFHIL-JTQLQIEISA-N -1 3 391.353 3.620 20 0 GHADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000112277149 852194385 /nfs/dbraw/zinc/19/43/85/852194385.db2.gz UZHISKVODPFHIL-JTQLQIEISA-N -1 3 391.353 3.620 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@@H]3COC(C)(C)C3)nc(=O)c2c1C ZINC000600571049 862331073 /nfs/dbraw/zinc/33/10/73/862331073.db2.gz CIMFAMRARZLQDQ-MNOVXSKESA-N -1 3 396.534 3.831 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)OC(C)(C)C)ccc2F)c1 ZINC000732524815 862335628 /nfs/dbraw/zinc/33/56/28/862335628.db2.gz MTFGDSPMXYDSPB-UHFFFAOYSA-N -1 3 396.440 3.982 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436723617 852250693 /nfs/dbraw/zinc/25/06/93/852250693.db2.gz VCXRKJUQUZZYDT-UHFFFAOYSA-N -1 3 385.338 3.697 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436762994 852283111 /nfs/dbraw/zinc/28/31/11/852283111.db2.gz VMIOXFPTZGVIGA-LJQANCHMSA-N -1 3 380.488 3.611 20 0 GHADHM COCc1csc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000912500741 852309474 /nfs/dbraw/zinc/30/94/74/852309474.db2.gz QGCWRMVAHXFKMR-UHFFFAOYSA-N -1 3 383.495 3.628 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(COC(C)(C)C)on2)c1Cl ZINC000894353598 852322490 /nfs/dbraw/zinc/32/24/90/852322490.db2.gz CODQAHKFXYTBBM-UHFFFAOYSA-N -1 3 384.791 3.821 20 0 GHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c(SC)cc1OC ZINC000426730305 852325787 /nfs/dbraw/zinc/32/57/87/852325787.db2.gz KSTWQBNOFINFEV-LJQANCHMSA-N -1 3 375.490 3.958 20 0 GHADHM COc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1OC1CCCC1 ZINC000436788433 852344118 /nfs/dbraw/zinc/34/41/18/852344118.db2.gz ZCTGEEVIRVGLQF-UHFFFAOYSA-N -1 3 398.459 3.611 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(Br)ccc2NC(C)=O)c([O-])c1 ZINC000436817747 852358964 /nfs/dbraw/zinc/35/89/64/852358964.db2.gz CBAVYHAGHMRQAX-UHFFFAOYSA-N -1 3 377.238 3.928 20 0 GHADHM COc1ccc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c([O-])c1 ZINC000436806514 852365883 /nfs/dbraw/zinc/36/58/83/852365883.db2.gz HXDPSYKRCDFQTK-LBPRGKRZSA-N -1 3 378.831 3.544 20 0 GHADHM Cn1nnc2cc(CN[C@@H](CC(=O)[O-])c3cc(Cl)cc(Cl)c3)ccc21 ZINC000426759845 852366655 /nfs/dbraw/zinc/36/66/55/852366655.db2.gz XULOIGSCDWMSHS-AWEZNQCLSA-N -1 3 379.247 3.581 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489480830 852383222 /nfs/dbraw/zinc/38/32/22/852383222.db2.gz MJOOEXWTHQYJIQ-ZDUSSCGKSA-N -1 3 398.403 3.785 20 0 GHADHM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2)n1 ZINC000426006961 852389756 /nfs/dbraw/zinc/38/97/56/852389756.db2.gz IAVOCSHFBJJFQW-UHFFFAOYSA-N -1 3 398.532 3.978 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nccs1 ZINC000489490105 852398120 /nfs/dbraw/zinc/39/81/20/852398120.db2.gz WHLMCEZUBQTBCH-QMMMGPOBSA-N -1 3 384.376 3.610 20 0 GHADHM C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000436856089 852400675 /nfs/dbraw/zinc/40/06/75/852400675.db2.gz RCJCXOFLPSMQSQ-GTNSWQLSSA-N -1 3 381.350 3.719 20 0 GHADHM O=C([O-])[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccc(Br)cc1 ZINC000426796193 852405202 /nfs/dbraw/zinc/40/52/02/852405202.db2.gz AVRDTWCOCJUYDY-INIZCTEOSA-N -1 3 377.213 3.985 20 0 GHADHM C[C@@H]1CC[C@H](N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436876532 852446995 /nfs/dbraw/zinc/44/69/95/852446995.db2.gz IWGCWUMEVAGTLL-PBEJRMEISA-N -1 3 380.488 3.900 20 0 GHADHM COc1cc(-c2nc([C@@H](NC(=O)c3ccccc3)C(C)C)no2)cc(OC)c1[O-] ZINC000436878415 852448765 /nfs/dbraw/zinc/44/87/65/852448765.db2.gz CMSASKFMDZUOSD-KRWDZBQOSA-N -1 3 397.431 3.587 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CC2CCC1CC2 ZINC000436904383 852469621 /nfs/dbraw/zinc/46/96/21/852469621.db2.gz PRWYEQVGZIPHBI-RDAUYSRESA-N -1 3 392.499 3.948 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000436899543 852485327 /nfs/dbraw/zinc/48/53/27/852485327.db2.gz FMPPMLMXJBWEQN-OAHLLOKOSA-N -1 3 380.213 3.977 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCCC1CCCC1 ZINC000436913729 852492031 /nfs/dbraw/zinc/49/20/31/852492031.db2.gz JQBLBXUCCHFAIA-OAQYLSRUSA-N -1 3 380.488 3.950 20 0 GHADHM CN(CCC(F)(F)F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436915261 852493076 /nfs/dbraw/zinc/49/30/76/852493076.db2.gz PPJYQWAOIAPJCC-KRWDZBQOSA-N -1 3 394.393 3.664 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436938822 852521985 /nfs/dbraw/zinc/52/19/85/852521985.db2.gz NAMKCXLSTGBDLR-UHFFFAOYSA-N -1 3 387.867 3.780 20 0 GHADHM CN(C)S(=O)(=O)c1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436946391 852527254 /nfs/dbraw/zinc/52/72/54/852527254.db2.gz RNDQEVDVGFVXSU-UHFFFAOYSA-N -1 3 395.440 3.513 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000489690329 852548563 /nfs/dbraw/zinc/54/85/63/852548563.db2.gz USAKJOBFMBTUOY-UHFFFAOYSA-N -1 3 387.671 3.817 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c([O-])c1 ZINC000436960226 852549776 /nfs/dbraw/zinc/54/97/76/852549776.db2.gz JOSGIDFRPICPEN-UHFFFAOYSA-N -1 3 382.460 3.688 20 0 GHADHM O=C(Nc1ccccc1N1CCC(CO)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436975567 852563110 /nfs/dbraw/zinc/56/31/10/852563110.db2.gz LAKUXMDNTSNSGO-UHFFFAOYSA-N -1 3 380.488 3.732 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cc2cccc(F)c2o1 ZINC000436984275 852571896 /nfs/dbraw/zinc/57/18/96/852571896.db2.gz MEEPSJDCOQOFFB-GUYCJALGSA-N -1 3 396.418 3.760 20 0 GHADHM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000437003837 852599050 /nfs/dbraw/zinc/59/90/50/852599050.db2.gz PYMVXRNTPAYYST-SJORKVTESA-N -1 3 394.471 3.705 20 0 GHADHM CN(C[C@H](O)Cc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000437005463 852600227 /nfs/dbraw/zinc/60/02/27/852600227.db2.gz PLCWEMZSLHLTFR-GOSISDBHSA-N -1 3 377.440 3.860 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427064157 852667432 /nfs/dbraw/zinc/66/74/32/852667432.db2.gz IWBCDSYZTXYNHE-IBGZPJMESA-N -1 3 381.505 3.687 20 0 GHADHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427064157 852667435 /nfs/dbraw/zinc/66/74/35/852667435.db2.gz IWBCDSYZTXYNHE-IBGZPJMESA-N -1 3 381.505 3.687 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000427065249 852669147 /nfs/dbraw/zinc/66/91/47/852669147.db2.gz RTGRTYXITAKIQH-SNVBAGLBSA-N -1 3 376.247 3.840 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000427065249 852669154 /nfs/dbraw/zinc/66/91/54/852669154.db2.gz RTGRTYXITAKIQH-SNVBAGLBSA-N -1 3 376.247 3.840 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427088856 852715871 /nfs/dbraw/zinc/71/58/71/852715871.db2.gz VTSCDEOYNJVXHY-GOSISDBHSA-N -1 3 379.464 3.710 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427088856 852715876 /nfs/dbraw/zinc/71/58/76/852715876.db2.gz VTSCDEOYNJVXHY-GOSISDBHSA-N -1 3 379.464 3.710 20 0 GHADHM CN(Cc1cccc2[nH]ccc21)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000426116734 852763927 /nfs/dbraw/zinc/76/39/27/852763927.db2.gz DHPNLBAUZTUUGB-UHFFFAOYSA-N -1 3 388.265 3.978 20 0 GHADHM Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000518050944 852767924 /nfs/dbraw/zinc/76/79/24/852767924.db2.gz QPGBKMRTIZHQPE-UHFFFAOYSA-N -1 3 386.407 3.601 20 0 GHADHM [O-]c1ccc(CNc2nc(-c3cccnc3)nc3c2CCC3)cc1Br ZINC000490093937 852768036 /nfs/dbraw/zinc/76/80/36/852768036.db2.gz UOHXHSWGJRNVLM-UHFFFAOYSA-N -1 3 397.276 3.529 20 0 GHADHM O=C(NCCOc1ccccc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000506375905 852907521 /nfs/dbraw/zinc/90/75/21/852907521.db2.gz WKZFMGAFZKVJGT-UHFFFAOYSA-N -1 3 399.672 3.686 20 0 GHADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC000429611999 852959549 /nfs/dbraw/zinc/95/95/49/852959549.db2.gz PVXSTPMWIXJPFN-UHFFFAOYSA-N -1 3 378.432 3.539 20 0 GHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473857481 852964995 /nfs/dbraw/zinc/96/49/95/852964995.db2.gz RYEOBEFRAGNALM-CJNGLKHVSA-N -1 3 392.297 3.653 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000437294848 852989181 /nfs/dbraw/zinc/98/91/81/852989181.db2.gz NNLJEVPOYDPYQT-DTWKUNHWSA-N -1 3 375.334 3.751 20 0 GHADHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000509593346 853025600 /nfs/dbraw/zinc/02/56/00/853025600.db2.gz QZSXNBIMEQBBJV-UHFFFAOYSA-N -1 3 392.830 3.973 20 0 GHADHM CCCc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000518185974 853034045 /nfs/dbraw/zinc/03/40/45/853034045.db2.gz WJHNVGRMZRWBKT-QGZVFWFLSA-N -1 3 387.553 3.507 20 0 GHADHM COc1cc(OC2CC2)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000516829947 853047172 /nfs/dbraw/zinc/04/71/72/853047172.db2.gz GAYOQONORRMVSS-UHFFFAOYSA-N -1 3 378.222 3.957 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)OC ZINC000490509852 853062613 /nfs/dbraw/zinc/06/26/13/853062613.db2.gz MJYNKUYPNIFPGY-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCS3)cc2)cc1 ZINC000438893642 853065682 /nfs/dbraw/zinc/06/56/82/853065682.db2.gz HHRWVGJSQPVYHF-KRWDZBQOSA-N -1 3 376.503 3.630 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccc(OC(F)F)cc1 ZINC000913299304 853209775 /nfs/dbraw/zinc/20/97/75/853209775.db2.gz ZGSZRJYOYYIJQE-SNVBAGLBSA-N -1 3 376.315 3.699 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccc(OC(F)F)cc1 ZINC000913299304 853209783 /nfs/dbraw/zinc/20/97/83/853209783.db2.gz ZGSZRJYOYYIJQE-SNVBAGLBSA-N -1 3 376.315 3.699 20 0 GHADHM COC(=O)c1ccc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[n-]1 ZINC000507715597 853218019 /nfs/dbraw/zinc/21/80/19/853218019.db2.gz DZZSNDWNRHYPCA-UHFFFAOYSA-N -1 3 389.249 3.646 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1 ZINC000913302148 853225244 /nfs/dbraw/zinc/22/52/44/853225244.db2.gz PHXWWFFPCFUKSS-NEPJUHHUSA-N -1 3 387.823 3.746 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1 ZINC000913302148 853225247 /nfs/dbraw/zinc/22/52/47/853225247.db2.gz PHXWWFFPCFUKSS-NEPJUHHUSA-N -1 3 387.823 3.746 20 0 GHADHM O=C(N[C@H]1CC[C@@H](F)C1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000517052438 853289640 /nfs/dbraw/zinc/28/96/40/853289640.db2.gz ZLLHDSYLTNWUEU-BDAKNGLRSA-N -1 3 387.636 3.564 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccnc2NC(C)C)[nH][n-]1 ZINC000439163430 853352644 /nfs/dbraw/zinc/35/26/44/853352644.db2.gz RXBDSKDISNZZTJ-UHFFFAOYSA-N -1 3 385.855 3.628 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[N-]c1nnn(C(C)C)n1 ZINC000913485789 853393942 /nfs/dbraw/zinc/39/39/42/853393942.db2.gz IFFPGUPCJNGLTD-UHFFFAOYSA-N -1 3 381.223 3.777 20 0 GHADHM O=c1cc(CS(=O)(=O)Cc2nc(C3CCCCC3)cs2)nc(C2CC2)[n-]1 ZINC000518490629 853404921 /nfs/dbraw/zinc/40/49/21/853404921.db2.gz SBIPKQRPEGXEPF-UHFFFAOYSA-N -1 3 393.534 3.679 20 0 GHADHM CCN(C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000519708398 853417275 /nfs/dbraw/zinc/41/72/75/853417275.db2.gz DPUISODVOUVUQK-HBGVWJBISA-N -1 3 398.478 3.535 20 0 GHADHM CC(C)[C@@]1(C(=O)[O-])CCN([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000519707759 853417328 /nfs/dbraw/zinc/41/73/28/853417328.db2.gz NODFKVOFCIBCGS-BFUOFWGJSA-N -1 3 377.872 3.808 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000437689129 853419770 /nfs/dbraw/zinc/41/97/70/853419770.db2.gz AEAYMWRQMJBGRH-LIRRHRJNSA-N -1 3 399.434 3.859 20 0 GHADHM CCc1nccn1[C@@H]1CCCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000518521485 853465257 /nfs/dbraw/zinc/46/52/57/853465257.db2.gz COHDIWBZKWDLLO-IEBWSBKVSA-N -1 3 376.508 3.672 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)c2ccc(F)cc2)s1 ZINC000517193268 853498437 /nfs/dbraw/zinc/49/84/37/853498437.db2.gz CGVWGADXKFLEAN-AWEZNQCLSA-N -1 3 399.513 3.696 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1Cl ZINC000519805081 853500847 /nfs/dbraw/zinc/50/08/47/853500847.db2.gz DBXYNZNCJGFPCH-AWEZNQCLSA-N -1 3 381.881 3.962 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)c2cccc(C)c2C)cc1OC ZINC000571175942 853756110 /nfs/dbraw/zinc/75/61/10/853756110.db2.gz OPXWTUHIYYNELE-UHFFFAOYSA-N -1 3 391.493 3.742 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000055663619 854050526 /nfs/dbraw/zinc/05/05/26/854050526.db2.gz YVCRLBYWJOPCKB-UHFFFAOYSA-N -1 3 386.807 3.546 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000520304936 854064841 /nfs/dbraw/zinc/06/48/41/854064841.db2.gz INQAVCHQCAMRRK-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000520304936 854064844 /nfs/dbraw/zinc/06/48/44/854064844.db2.gz INQAVCHQCAMRRK-UHFFFAOYSA-N -1 3 396.863 3.574 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000481935628 862540757 /nfs/dbraw/zinc/54/07/57/862540757.db2.gz WIYXXPCEOSLQNG-RKDXNWHRSA-N -1 3 379.169 3.550 20 0 GHADHM O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000760699085 854359797 /nfs/dbraw/zinc/35/97/97/854359797.db2.gz KUOAPQMICKBZEQ-KRWDZBQOSA-N -1 3 391.254 3.688 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cn(-c3ccccc3)nc2C)sc1Cl ZINC000473942129 854380627 /nfs/dbraw/zinc/38/06/27/854380627.db2.gz CPDCUZMTSORNCR-UHFFFAOYSA-N -1 3 381.910 3.683 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000572450954 854527758 /nfs/dbraw/zinc/52/77/58/854527758.db2.gz JXVQWHMESXBRDA-UHFFFAOYSA-N -1 3 388.489 3.813 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cc(C)c(OC)c(C)c3)nc2)n1 ZINC000068697590 854612241 /nfs/dbraw/zinc/61/22/41/854612241.db2.gz OLRDPBYZFWUXBG-UHFFFAOYSA-N -1 3 378.476 3.656 20 0 GHADHM COc1cc2ncc(C(=O)Nc3cccc(OCC(C)C)c3)c([O-])c2c(OC)c1 ZINC000624387683 854623243 /nfs/dbraw/zinc/62/32/43/854623243.db2.gz YSNYFPZYPLAAKV-UHFFFAOYSA-N -1 3 396.443 3.832 20 0 GHADHM O=C(CSCc1ccc(Cl)cc1Cl)N[N-]C(=O)c1ccccc1F ZINC000056380993 854665782 /nfs/dbraw/zinc/66/57/82/854665782.db2.gz UVVMVODDTITKQC-UHFFFAOYSA-N -1 3 387.263 3.827 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(Br)c1 ZINC000589149214 854724415 /nfs/dbraw/zinc/72/44/15/854724415.db2.gz MXTWOMDGOCMIEF-UHFFFAOYSA-N -1 3 378.194 3.537 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)[n-]1 ZINC000589716026 855122919 /nfs/dbraw/zinc/12/29/19/855122919.db2.gz HZGDVYLHSLVXMU-VIFPVBQESA-N -1 3 398.232 3.620 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c[n-]1 ZINC000589716026 855122925 /nfs/dbraw/zinc/12/29/25/855122925.db2.gz HZGDVYLHSLVXMU-VIFPVBQESA-N -1 3 398.232 3.620 20 0 GHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1cc(Br)ccc1Cl ZINC000589889610 855176773 /nfs/dbraw/zinc/17/67/73/855176773.db2.gz QRHMNNKRXPVTOT-LLVKDONJSA-N -1 3 386.698 3.721 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1=CCCCCC1 ZINC000130855268 855344932 /nfs/dbraw/zinc/34/49/32/855344932.db2.gz QUAIWZDJOZHJRC-UHFFFAOYSA-N -1 3 376.400 3.906 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1 ZINC000055687719 855377608 /nfs/dbraw/zinc/37/76/08/855377608.db2.gz IKDUZQALCYLAQG-UHFFFAOYSA-N -1 3 388.489 3.859 20 0 GHADHM CC(C)(C)C(=O)CCCC(=O)Nc1cc(I)ccc1[O-] ZINC000590666597 855539709 /nfs/dbraw/zinc/53/97/09/855539709.db2.gz BFOHSYMMSIRVFM-UHFFFAOYSA-N -1 3 389.233 3.721 20 0 GHADHM CCC(CC)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000590708404 855555420 /nfs/dbraw/zinc/55/54/20/855555420.db2.gz 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CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000508113039 856899952 /nfs/dbraw/zinc/89/99/52/856899952.db2.gz PZHWSQUOMXGFDO-QGZVFWFLSA-N -1 3 396.390 3.952 20 0 GHADHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(Br)c1 ZINC000485691479 856931918 /nfs/dbraw/zinc/93/19/18/856931918.db2.gz XQIKGBZFMVWBEO-NSHDSACASA-N -1 3 397.294 3.563 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C ZINC000281146438 862856358 /nfs/dbraw/zinc/85/63/58/862856358.db2.gz AZQPODBCIQQXPZ-QGZVFWFLSA-N -1 3 387.480 3.610 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1[O-] ZINC000668533725 856975417 /nfs/dbraw/zinc/97/54/17/856975417.db2.gz RRAGTKBMCUOHFF-UHFFFAOYSA-N -1 3 388.851 3.981 20 0 GHADHM Cn1ncc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c1C(F)(F)F ZINC000592662650 857004784 /nfs/dbraw/zinc/00/47/84/857004784.db2.gz QXBROAVRGXYQCI-UHFFFAOYSA-N -1 3 395.410 3.869 20 0 GHADHM Cc1cc(F)ccc1CN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000487409199 857110783 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GHADHM O=S(=O)([N-]C[C@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000672428719 857329121 /nfs/dbraw/zinc/32/91/21/857329121.db2.gz XMVZAFDCXMWYMZ-LLVKDONJSA-N -1 3 394.707 3.701 20 0 GHADHM CCOc1cc(-c2noc(-c3ccc([O-])cn3)n2)cc(Br)c1OC ZINC001212558025 857372788 /nfs/dbraw/zinc/37/27/88/857372788.db2.gz NRGIPIITGFTBHD-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)c(F)c1 ZINC000656573884 857375822 /nfs/dbraw/zinc/37/58/22/857375822.db2.gz QNAWDJFIHYVTSL-MAUKXSAKSA-N -1 3 379.815 3.562 20 0 GHADHM O=C(N[C@@H]1CCCC1(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000672495521 857407277 /nfs/dbraw/zinc/40/72/77/857407277.db2.gz LUCXIISXGARKMU-MRXNPFEDSA-N -1 3 398.406 3.544 20 0 GHADHM COc1cc(OC)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1F ZINC000906948781 857409048 /nfs/dbraw/zinc/40/90/48/857409048.db2.gz HXYRLXRGSZQASB-UHFFFAOYSA-N -1 3 397.428 3.899 20 0 GHADHM O=C([N-]Cc1nc(C2CC2)cs1)C(F)(F)c1ncccc1Br ZINC000907041701 857428764 /nfs/dbraw/zinc/42/87/64/857428764.db2.gz COMXMTBDPUISGM-UHFFFAOYSA-N -1 3 388.237 3.586 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCCC2)cc1 ZINC000060920474 857487978 /nfs/dbraw/zinc/48/79/78/857487978.db2.gz NNYHPBJFUQHMPN-OAHLLOKOSA-N -1 3 384.954 3.825 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-][C@H]1COc2ccc(C)cc21 ZINC000675633766 857544949 /nfs/dbraw/zinc/54/49/49/857544949.db2.gz RMGOJUHIXMVXBD-NSHDSACASA-N -1 3 388.308 3.539 20 0 GHADHM COc1ccccc1C[C@@H](C)CC(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000593405624 857571582 /nfs/dbraw/zinc/57/15/82/857571582.db2.gz CRRAWRPUWYQGQY-OAHLLOKOSA-N -1 3 379.460 3.723 20 0 GHADHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC001212376222 857664216 /nfs/dbraw/zinc/66/42/16/857664216.db2.gz VMJLNJHPKDDSON-UHFFFAOYSA-N -1 3 394.320 3.926 20 0 GHADHM CC(C)Oc1ncc(C(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000676055858 857720101 /nfs/dbraw/zinc/72/01/01/857720101.db2.gz MBEPPAVXSYCNEP-UHFFFAOYSA-N -1 3 399.672 3.920 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000593862706 857748704 /nfs/dbraw/zinc/74/87/04/857748704.db2.gz XRRAJDKTYPAIMR-FUHWJXTLSA-N -1 3 385.435 3.760 20 0 GHADHM CCN(CC)[C@H](CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccsc1 ZINC000907797534 857784176 /nfs/dbraw/zinc/78/41/76/857784176.db2.gz CZBJEMOAXXOFGD-WAOWUJCRSA-N -1 3 386.517 3.506 20 0 GHADHM [O-]c1ccc(F)c(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1F ZINC000521281704 857812629 /nfs/dbraw/zinc/81/26/29/857812629.db2.gz UYIYFDWTFBOJBZ-SPLOXXLWSA-N -1 3 398.413 3.669 20 0 GHADHM O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065753066 857845381 /nfs/dbraw/zinc/84/53/81/857845381.db2.gz GKCYOWQYTNUKTQ-UHFFFAOYSA-N -1 3 385.423 3.524 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnn[n-]1 ZINC000521328798 857859681 /nfs/dbraw/zinc/85/96/81/857859681.db2.gz PJAPHWVWEGWALS-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1c[n-]nn1 ZINC000521328798 857859685 /nfs/dbraw/zinc/85/96/85/857859685.db2.gz PJAPHWVWEGWALS-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cn[n-]n1 ZINC000521328798 857859691 /nfs/dbraw/zinc/85/96/91/857859691.db2.gz PJAPHWVWEGWALS-UHFFFAOYSA-N -1 3 389.337 3.637 20 0 GHADHM CCOc1cc(CNc2ccc(N(C)S(=O)(=O)CC)cc2)cc(Cl)c1[O-] ZINC000668637948 857870943 /nfs/dbraw/zinc/87/09/43/857870943.db2.gz WJDQCNPENYAYSG-UHFFFAOYSA-N -1 3 398.912 3.842 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC001271257319 862962651 /nfs/dbraw/zinc/96/26/51/862962651.db2.gz UILWRAQZDHSODC-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n[nH]1 ZINC000486613559 857900205 /nfs/dbraw/zinc/90/02/05/857900205.db2.gz ZWTALVSOJMPATH-BDAKNGLRSA-N -1 3 394.394 3.516 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC2(c3ccccn3)CCC2)s1 ZINC000908165162 857956862 /nfs/dbraw/zinc/95/68/62/857956862.db2.gz CKIMYLVPZFYRKW-UHFFFAOYSA-N -1 3 388.493 3.737 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC=C(c3ccncc3)C2)s1 ZINC000908173760 857964135 /nfs/dbraw/zinc/96/41/35/857964135.db2.gz NVZFLKHFUQRAIF-UHFFFAOYSA-N -1 3 386.477 3.815 20 0 GHADHM O=S(=O)([N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(F)cc1C(F)(F)F ZINC000486704769 858010228 /nfs/dbraw/zinc/01/02/28/858010228.db2.gz SPYQIILPSQAWFB-CKEIUWERSA-N -1 3 385.382 3.709 20 0 GHADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)(C3)C2 ZINC000908284636 858023546 /nfs/dbraw/zinc/02/35/46/858023546.db2.gz IUQRCNVSROKRDN-CHIWXJOUSA-N -1 3 386.458 3.510 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)sc1Cl)c1cnccc1C(F)(F)F ZINC000442752392 858111171 /nfs/dbraw/zinc/11/11/71/858111171.db2.gz MOHQDFRHXYFMMN-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000442772943 858113933 /nfs/dbraw/zinc/11/39/33/858113933.db2.gz SOFPOSHEZPPFCV-VIFPVBQESA-N -1 3 393.456 3.894 20 0 GHADHM C[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1O)c1ccccc1 ZINC000442835535 858173573 /nfs/dbraw/zinc/17/35/73/858173573.db2.gz MJASIQKCPJSIPU-LLVKDONJSA-N -1 3 375.368 3.836 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000521639706 858187988 /nfs/dbraw/zinc/18/79/88/858187988.db2.gz BPHFYMYBUWCZLJ-QGZVFWFLSA-N -1 3 379.460 3.717 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[n-]n1 ZINC000181752000 862998488 /nfs/dbraw/zinc/99/84/88/862998488.db2.gz BFXZLVBWRZHFMC-STQMWFEESA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n[n-]1 ZINC000181752000 862998492 /nfs/dbraw/zinc/99/84/92/862998492.db2.gz BFXZLVBWRZHFMC-STQMWFEESA-N -1 3 396.472 3.885 20 0 GHADHM Cc1ccc2cccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[n-]c3=O)c2n1 ZINC000066715509 858263658 /nfs/dbraw/zinc/26/36/58/858263658.db2.gz BOKYEAOLDIAIJC-UHFFFAOYSA-N -1 3 399.454 3.568 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000521728769 858277824 /nfs/dbraw/zinc/27/78/24/858277824.db2.gz FNDVTWAVPLYZJT-KOMQPUFPSA-N -1 3 390.480 3.935 20 0 GHADHM CSCC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000594815418 858285525 /nfs/dbraw/zinc/28/55/25/858285525.db2.gz BMDCFOYWBDWEQN-UHFFFAOYSA-N -1 3 398.775 3.914 20 0 GHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000066782332 858295841 /nfs/dbraw/zinc/29/58/41/858295841.db2.gz HIMHQNDBJVCURD-UHFFFAOYSA-N -1 3 375.453 3.890 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000443017151 858296443 /nfs/dbraw/zinc/29/64/43/858296443.db2.gz YJDNZIGCOKRELN-UHFFFAOYSA-N -1 3 389.498 3.902 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1ccccc1)C1CCCCC1 ZINC000521861910 858387466 /nfs/dbraw/zinc/38/74/66/858387466.db2.gz AMQLWMWHVDZKLU-UHFFFAOYSA-N -1 3 377.444 3.937 20 0 GHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000521950390 858470426 /nfs/dbraw/zinc/47/04/26/858470426.db2.gz PTWAPLGWEXODOC-UHFFFAOYSA-N -1 3 383.448 3.846 20 0 GHADHM O=C(Nc1nccn1Cc1ccccc1Cl)c1c[n-]c2ccccc2c1=O ZINC000115448414 858533941 /nfs/dbraw/zinc/53/39/41/858533941.db2.gz VUOLOOBHJGCCLZ-UHFFFAOYSA-N -1 3 378.819 3.679 20 0 GHADHM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)c2C1 ZINC000543148955 858636631 /nfs/dbraw/zinc/63/66/31/858636631.db2.gz PLSLMDHYCGKTGD-UHFFFAOYSA-N -1 3 386.517 3.879 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](CCF)C3)nc(=O)c2c1C ZINC000595756745 858676508 /nfs/dbraw/zinc/67/65/08/858676508.db2.gz WHEOXODPVMTFOB-OLZOCXBDSA-N -1 3 395.500 3.602 20 0 GHADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000183439508 858746795 /nfs/dbraw/zinc/74/67/95/858746795.db2.gz WXBICVLJMDKAAL-KBPBESRZSA-N -1 3 391.475 3.637 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1 ZINC000067899521 858771682 /nfs/dbraw/zinc/77/16/82/858771682.db2.gz FDECBRQKWIMOKZ-UHFFFAOYSA-N -1 3 395.546 3.808 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)cn1 ZINC000509250972 858827525 /nfs/dbraw/zinc/82/75/25/858827525.db2.gz XUSNTJTYSFAHFE-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000443499738 858843212 /nfs/dbraw/zinc/84/32/12/858843212.db2.gz KSAQKTUEYJRYPO-HNNXBMFYSA-N -1 3 385.888 3.560 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000668140842 858912367 /nfs/dbraw/zinc/91/23/67/858912367.db2.gz NMVZVHSKSNKSGG-UHFFFAOYSA-N -1 3 377.824 3.916 20 0 GHADHM CC1=C(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000482866969 858918549 /nfs/dbraw/zinc/91/85/49/858918549.db2.gz MYPJNMADQOENIN-UHFFFAOYSA-N -1 3 388.464 3.809 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(Br)c1F)c1nccs1 ZINC000543225681 858947364 /nfs/dbraw/zinc/94/73/64/858947364.db2.gz JMUSRETYOPCQCP-ZDUSSCGKSA-N -1 3 393.303 3.648 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001141745123 858957317 /nfs/dbraw/zinc/95/73/17/858957317.db2.gz XIGUUATUWJFKDT-INIZCTEOSA-N -1 3 397.349 3.513 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Br)s3)CCC2)o1 ZINC000509623032 859015767 /nfs/dbraw/zinc/01/57/67/859015767.db2.gz DCIQYKFSJBPFTB-UHFFFAOYSA-N -1 3 390.324 3.812 20 0 GHADHM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000923096707 859019873 /nfs/dbraw/zinc/01/98/73/859019873.db2.gz JQJMDUANJOVNIO-UHFFFAOYSA-N -1 3 387.505 3.537 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccccc3)CCC2)c1 ZINC000184970378 859026492 /nfs/dbraw/zinc/02/64/92/859026492.db2.gz NCCBCAUYWDHHEL-UHFFFAOYSA-N -1 3 391.427 3.750 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000060322149 859074058 /nfs/dbraw/zinc/07/40/58/859074058.db2.gz MJTFACGUDUSRRK-MRXNPFEDSA-N -1 3 376.497 3.674 20 0 GHADHM CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(Br)cc2[O-])CC=CC1 ZINC000596794178 859079422 /nfs/dbraw/zinc/07/94/22/859079422.db2.gz SMUFBWKTGRQBAU-UHFFFAOYSA-N -1 3 382.254 3.771 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1CCC(c2ccccc2)CC1 ZINC000483030168 859088817 /nfs/dbraw/zinc/08/88/17/859088817.db2.gz OZHTVISMACGEDR-UHFFFAOYSA-N -1 3 381.402 3.597 20 0 GHADHM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccccc3C(C)C)cc2)no1 ZINC000189004518 881381221 /nfs/dbraw/zinc/38/12/21/881381221.db2.gz MVLUHTKTBXIEHT-UHFFFAOYSA-N -1 3 387.461 3.881 20 0 GHADHM Cc1ncc(CNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(=O)[n-]1 ZINC000543279888 859113223 /nfs/dbraw/zinc/11/32/23/859113223.db2.gz CXEDEDZMLXGUQS-UHFFFAOYSA-N -1 3 376.844 3.787 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)c(Cl)c1Cl)c1cccnc1 ZINC000185831403 859134335 /nfs/dbraw/zinc/13/43/35/859134335.db2.gz GECWAPDSUUFDRF-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1 ZINC000193057215 859136555 /nfs/dbraw/zinc/13/65/55/859136555.db2.gz CLTKGISOIFREKT-UHFFFAOYSA-N -1 3 391.276 3.523 20 0 GHADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483291565 859274362 /nfs/dbraw/zinc/27/43/62/859274362.db2.gz ALNUVVDDJGKDCR-DOMZBBRYSA-N -1 3 381.402 3.582 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000029047257 859286226 /nfs/dbraw/zinc/28/62/26/859286226.db2.gz FXGVXPCQXKMAFM-UHFFFAOYSA-N -1 3 376.478 3.871 20 0 GHADHM O=C(CC(F)(F)F)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000509393410 859289827 /nfs/dbraw/zinc/28/98/27/859289827.db2.gz YVDOOLDJKHIXPB-UHFFFAOYSA-N -1 3 398.406 3.867 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923467111 859335438 /nfs/dbraw/zinc/33/54/38/859335438.db2.gz MPQYOLLHCITHTM-URXFXBBRSA-N -1 3 394.515 3.663 20 0 GHADHM CCCC[C@H](CCC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000483467398 859393718 /nfs/dbraw/zinc/39/37/18/859393718.db2.gz ANNPNMJZZOQANQ-AWEZNQCLSA-N -1 3 385.530 3.937 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483539950 859449297 /nfs/dbraw/zinc/44/92/97/859449297.db2.gz FBEKVCFTMFZNAE-UHFFFAOYSA-N -1 3 396.200 3.862 20 0 GHADHM CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1c2ccccc2-c2ccccc21 ZINC000483559695 859450285 /nfs/dbraw/zinc/45/02/85/859450285.db2.gz LLGNYYAMGOGWJV-UHFFFAOYSA-N -1 3 387.365 3.735 20 0 GHADHM CC(C)n1ncc2cc(CNCC3(NC(=O)[O-])CCCCC3)c(Cl)nc21 ZINC000738886958 859518045 /nfs/dbraw/zinc/51/80/45/859518045.db2.gz BHNSPJGOMWQADD-UHFFFAOYSA-N -1 3 379.892 3.726 20 0 GHADHM C[C@H](CC(=O)[N-]OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000764610293 859532789 /nfs/dbraw/zinc/53/27/89/859532789.db2.gz XZPYRLKJBKSZSF-MRXNPFEDSA-N -1 3 376.497 3.908 20 0 GHADHM CN(C)Cc1csc(C[N-]c2nc(-c3ccc(Br)cc3)no2)n1 ZINC000895479716 859565656 /nfs/dbraw/zinc/56/56/56/859565656.db2.gz UDMKXKKRGXRFGU-UHFFFAOYSA-N -1 3 394.298 3.629 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000117739097 859600196 /nfs/dbraw/zinc/60/01/96/859600196.db2.gz OJXBVYZHKKKWDI-DEOSSOPVSA-N -1 3 381.519 3.794 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCc1ccc2ccccc2c1 ZINC000673506082 859613938 /nfs/dbraw/zinc/61/39/38/859613938.db2.gz ZRJXCYADELKLAR-CVEARBPZSA-N -1 3 391.471 3.653 20 0 GHADHM Cc1c(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])oc2c1c(C)ccc2C ZINC000673502468 859624465 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CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622321086 864930712 /nfs/dbraw/zinc/93/07/12/864930712.db2.gz NRVQLXMKZTWBPT-UHFFFAOYSA-N -1 3 378.350 3.962 20 0 GHADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000608032002 864935713 /nfs/dbraw/zinc/93/57/13/864935713.db2.gz LYUWXEFCWJCWRW-HZPDHXFCSA-N -1 3 384.270 3.597 20 0 GHADHM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NN=c1cccn[n-]1 ZINC000184788156 864941712 /nfs/dbraw/zinc/94/17/12/864941712.db2.gz SDTGGMPSRTVUCC-UHFFFAOYSA-N -1 3 398.264 3.730 20 0 GHADHM CCCCNC(=O)C1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000622344826 864944624 /nfs/dbraw/zinc/94/46/24/864944624.db2.gz GUYRUTIIRMYQCP-UHFFFAOYSA-N -1 3 386.414 3.760 20 0 GHADHM CCCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000532336721 881820369 /nfs/dbraw/zinc/82/03/69/881820369.db2.gz ZHNYVAAORIGGPM-UHFFFAOYSA-N -1 3 377.282 3.991 20 0 GHADHM CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)N1CCc2ccccc2C1 ZINC000735852964 865023613 /nfs/dbraw/zinc/02/36/13/865023613.db2.gz 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20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000741610660 866659584 /nfs/dbraw/zinc/65/95/84/866659584.db2.gz LWOVBCJMTDKNQF-UONOGXRCSA-N -1 3 384.517 3.553 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C4CC4)cnc3Cl)cc2)n1 ZINC000793188803 882003625 /nfs/dbraw/zinc/00/36/25/882003625.db2.gz HWVKAPAQVGKBPR-UHFFFAOYSA-N -1 3 380.835 3.923 20 0 GHADHM CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000620398921 866725640 /nfs/dbraw/zinc/72/56/40/866725640.db2.gz AEVWFIFCGZVUDB-HXUWFJFHSA-N -1 3 394.515 3.554 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3c(F)cccc3N3CCCC3)c[n-]c12 ZINC000553211618 866970838 /nfs/dbraw/zinc/97/08/38/866970838.db2.gz ZALLSOGOGCOXGR-UHFFFAOYSA-N -1 3 383.398 3.967 20 0 GHADHM Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153623765 866989540 /nfs/dbraw/zinc/98/95/40/866989540.db2.gz ROAUKPCFOIEWFO-UHFFFAOYSA-N -1 3 396.896 3.683 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1F ZINC000742002028 866999439 /nfs/dbraw/zinc/99/94/39/866999439.db2.gz YKOZZUCCYNHUPM-IIAWOOMASA-N -1 3 396.528 3.601 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(SC(F)F)c1 ZINC000742029983 867019878 /nfs/dbraw/zinc/01/98/78/867019878.db2.gz MSLTZRZVCUOXDR-UHFFFAOYSA-N -1 3 377.409 3.961 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000456701485 867035489 /nfs/dbraw/zinc/03/54/89/867035489.db2.gz QANPYNVKQIAIDT-GOSISDBHSA-N -1 3 378.432 3.594 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000523321991 867069127 /nfs/dbraw/zinc/06/91/27/867069127.db2.gz BYSJKLYFCLNYKQ-SKDRFNHKSA-N -1 3 388.258 3.783 20 0 GHADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cs1 ZINC000183660191 867114135 /nfs/dbraw/zinc/11/41/35/867114135.db2.gz ZMHDYHPESCUFFR-SECBINFHSA-N -1 3 389.886 3.615 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456804982 867198697 /nfs/dbraw/zinc/19/86/97/867198697.db2.gz AYVXTEACBZIKMI-UHFFFAOYSA-N -1 3 382.410 3.901 20 0 GHADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000456805747 867201672 /nfs/dbraw/zinc/20/16/72/867201672.db2.gz WVSZZCPQTRQLNP-UONOGXRCSA-N -1 3 393.484 3.605 20 0 GHADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000742325676 867206128 /nfs/dbraw/zinc/20/61/28/867206128.db2.gz GXQTXCGOBABRCM-UWVGGRQHSA-N -1 3 382.295 3.700 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000479250111 867422753 /nfs/dbraw/zinc/42/27/53/867422753.db2.gz SVYLCNYNUBUOFV-QGZVFWFLSA-N -1 3 388.533 3.833 20 0 GHADHM COc1cc(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc(OC)c1[O-] ZINC000154589076 867480819 /nfs/dbraw/zinc/48/08/19/867480819.db2.gz PPTYJLOPRDJWRY-UHFFFAOYSA-N -1 3 395.459 3.649 20 0 GHADHM CCCCOc1ccc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c([O-])c1 ZINC000620805074 867487581 /nfs/dbraw/zinc/48/75/81/867487581.db2.gz IVOKTQMPAFVSOQ-GXTWGEPZSA-N -1 3 375.387 3.753 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000479327645 867570694 /nfs/dbraw/zinc/57/06/94/867570694.db2.gz WEZWVPIXEXANQC-UHFFFAOYSA-N -1 3 394.822 3.660 20 0 GHADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000479327645 867570710 /nfs/dbraw/zinc/57/07/10/867570710.db2.gz WEZWVPIXEXANQC-UHFFFAOYSA-N -1 3 394.822 3.660 20 0 GHADHM Cn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1Cc1ccccc1 ZINC000445001745 867620189 /nfs/dbraw/zinc/62/01/89/867620189.db2.gz WMERXBRNBYCCBE-UHFFFAOYSA-N -1 3 375.350 3.988 20 0 GHADHM CC[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000154894200 867650189 /nfs/dbraw/zinc/65/01/89/867650189.db2.gz YKNUXKSLGJFNBS-AAEUAGOBSA-N -1 3 377.282 3.989 20 0 GHADHM O=c1nc(Cn2cc(Br)cn2)[n-]c2scc(-c3ccccc3)c21 ZINC000155132419 867764005 /nfs/dbraw/zinc/76/40/05/867764005.db2.gz DEDNJOWKWFIAJB-UHFFFAOYSA-N -1 3 387.262 3.659 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)n[n-]2)o1 ZINC000479463488 867806026 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Cc1nc(-c2ccc(NC(=O)N[C@@H](C)[C@H]3COc4ccccc43)cc2)cc(=O)[n-]1 ZINC000535090306 868148175 /nfs/dbraw/zinc/14/81/75/868148175.db2.gz YYNBDBUHKUBOMO-SCLBCKFNSA-N -1 3 390.443 3.844 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000535096381 868159577 /nfs/dbraw/zinc/15/95/77/868159577.db2.gz YSVZRDWFVVZZET-QGZVFWFLSA-N -1 3 398.850 3.858 20 0 GHADHM Cc1ccc(-c2nc(C[S@](=O)Cc3nc(C(F)(F)F)cc(=O)[n-]3)co2)cc1 ZINC000535237181 868411342 /nfs/dbraw/zinc/41/13/42/868411342.db2.gz KPBPQJHUMIGXIL-MHZLTWQESA-N -1 3 397.378 3.613 20 0 GHADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297342 882187260 /nfs/dbraw/zinc/18/72/60/882187260.db2.gz CCRTUXQQWSCGRA-QMMMGPOBSA-N -1 3 392.731 3.715 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000216261756 882195959 /nfs/dbraw/zinc/19/59/59/882195959.db2.gz VYRJASZCGNPQBW-UHFFFAOYSA-N -1 3 388.423 3.856 20 0 GHADHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000156730636 868448352 /nfs/dbraw/zinc/44/83/52/868448352.db2.gz XZVIQEFCBVEFLQ-VIFPVBQESA-N -1 3 393.408 3.593 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(c3ccccc3F)CC2)[nH][n-]1 ZINC000524069844 868478181 /nfs/dbraw/zinc/47/81/81/868478181.db2.gz PQWGTMDLGMEBHA-UHFFFAOYSA-N -1 3 385.826 3.970 20 0 GHADHM CN(C[C@@H]1CC1(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000621056663 868582663 /nfs/dbraw/zinc/58/26/63/868582663.db2.gz CNJGPQVPFWRGTB-HNNXBMFYSA-N -1 3 390.480 3.745 20 0 GHADHM COc1ccc(NC(=O)C2(C)CC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000157282134 868611698 /nfs/dbraw/zinc/61/16/98/868611698.db2.gz CLMHWCXBYOJDOB-UHFFFAOYSA-N -1 3 394.880 3.888 20 0 GHADHM Fc1ccccc1[N-]c1nnc(SCc2nnnn2Cc2ccccc2)s1 ZINC000010078834 882209076 /nfs/dbraw/zinc/20/90/76/882209076.db2.gz LVMVVHWVMMKKFP-UHFFFAOYSA-N -1 3 399.480 3.748 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535366831 868633805 /nfs/dbraw/zinc/63/38/05/868633805.db2.gz LNVYWPAZNIHHMY-PKOBYXMFSA-N -1 3 388.464 3.604 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2Br)c1 ZINC000121790203 882218840 /nfs/dbraw/zinc/21/88/40/882218840.db2.gz OYRAYHAQAJSKKC-LLVKDONJSA-N -1 3 391.265 3.946 20 0 GHADHM O=C(N[C@H](c1cccnc1)C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000535454322 868776730 /nfs/dbraw/zinc/77/67/30/868776730.db2.gz CFVGEMOYRCPZNT-SFHVURJKSA-N -1 3 398.260 3.567 20 0 GHADHM O=C([N-]c1cc(Cl)c(Cl)cn1)c1sccc1S(=O)(=O)C(F)F ZINC000744376380 868796767 /nfs/dbraw/zinc/79/67/67/868796767.db2.gz YGTGVSCIXKMENR-UHFFFAOYSA-N -1 3 387.216 3.699 20 0 GHADHM CCSc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000445771632 868993708 /nfs/dbraw/zinc/99/37/08/868993708.db2.gz HNNLCJNGYIEDPX-UHFFFAOYSA-N -1 3 375.475 3.887 20 0 GHADHM O=C(Cc1noc(-c2cc3ccccc3cc2[O-])n1)NCc1ccc(F)cc1F ZINC000445849568 869076022 /nfs/dbraw/zinc/07/60/22/869076022.db2.gz MDSLQULJXJOCPE-UHFFFAOYSA-N -1 3 395.365 3.733 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)s1 ZINC000462280454 869155841 /nfs/dbraw/zinc/15/58/41/869155841.db2.gz PYKIFXHLKTZOQU-UHFFFAOYSA-N -1 3 390.299 3.926 20 0 GHADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C12CCC2 ZINC000462320773 869217420 /nfs/dbraw/zinc/21/74/20/869217420.db2.gz KXJOBIGGKUBPPJ-STQMWFEESA-N -1 3 378.321 3.928 20 0 GHADHM O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857496607 882298662 /nfs/dbraw/zinc/29/86/62/882298662.db2.gz CELUDMCRXVQPMF-CQSZACIVSA-N -1 3 377.721 3.667 20 0 GHADHM CCCC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000462479215 869539092 /nfs/dbraw/zinc/53/90/92/869539092.db2.gz GHNGVGIQVGXJLP-UHFFFAOYSA-N -1 3 385.121 3.598 20 0 GHADHM O=S(=O)([N-]Cc1cc2ccccc2s1)c1ccc(Br)cn1 ZINC000462548032 869654972 /nfs/dbraw/zinc/65/49/72/869654972.db2.gz HJLXIUYYIUNFFB-UHFFFAOYSA-N -1 3 383.292 3.537 20 0 GHADHM CC(C)C(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)C ZINC000446343587 869710416 /nfs/dbraw/zinc/71/04/16/869710416.db2.gz UXDLDLVDKWGXMR-UHFFFAOYSA-N -1 3 395.500 3.613 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H](c2ccccc2)C1 ZINC000640298708 882329868 /nfs/dbraw/zinc/32/98/68/882329868.db2.gz OUJUBEKNTCBYQO-CYBMUJFWSA-N -1 3 386.805 3.932 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc32)cc1[O-] ZINC000745650733 869720096 /nfs/dbraw/zinc/72/00/96/869720096.db2.gz LOKDJHLVENRYQG-UHFFFAOYSA-N -1 3 379.368 3.763 20 0 GHADHM CCc1ccc(-c2noc(COC(=O)c3ccc(NC(=O)OC)c([O-])c3)n2)cc1 ZINC000745655104 869723521 /nfs/dbraw/zinc/72/35/21/869723521.db2.gz ZYGNXZXCJZAPKW-UHFFFAOYSA-N -1 3 397.387 3.540 20 0 GHADHM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000462651370 869843268 /nfs/dbraw/zinc/84/32/68/869843268.db2.gz XDKLNDLOCURZOH-MRXNPFEDSA-N -1 3 376.460 3.652 20 0 GHADHM CCC1(CC)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000446694944 870208086 /nfs/dbraw/zinc/20/80/86/870208086.db2.gz CMEKXIWNDZLFGT-UHFFFAOYSA-N -1 3 393.484 3.607 20 0 GHADHM C[C@@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000187093827 870246833 /nfs/dbraw/zinc/24/68/33/870246833.db2.gz XQOIHNKMJGWJMU-OAHLLOKOSA-N -1 3 390.480 3.889 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(F)cc3N)cc2)cc1 ZINC000746319437 870277305 /nfs/dbraw/zinc/27/73/05/870277305.db2.gz ZIJQBGMWPWTWKO-UHFFFAOYSA-N -1 3 399.447 3.769 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc(-c2ccccc2OC)n1 ZINC001192316652 870283260 /nfs/dbraw/zinc/28/32/60/870283260.db2.gz NOIOQYNKPIBIQX-UHFFFAOYSA-N -1 3 396.374 3.641 20 0 GHADHM CC(C)n1nc(CN(C)C)c2c1CN(C(=O)c1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001192326475 870290651 /nfs/dbraw/zinc/29/06/51/870290651.db2.gz MNMUVNBSGSYJPH-UHFFFAOYSA-N -1 3 398.551 3.727 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)c([O-])c1 ZINC001192327213 870291561 /nfs/dbraw/zinc/29/15/61/870291561.db2.gz SCSCNDVSHDMJQI-QGZVFWFLSA-N -1 3 397.519 3.585 20 0 GHADHM O=C(c1cc(Nc2cccc([O-])c2Br)ccc1F)N1CCOCC1 ZINC001192402654 870373513 /nfs/dbraw/zinc/37/35/13/870373513.db2.gz RNAKBXOMJJBMJX-UHFFFAOYSA-N -1 3 395.228 3.510 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2ccc(F)c(F)c2)[nH][n-]1 ZINC000446810600 870405952 /nfs/dbraw/zinc/40/59/52/870405952.db2.gz PTZQVLOEKSTFIS-UHFFFAOYSA-N -1 3 377.778 3.620 20 0 GHADHM CC[C@@H]1[C@H](C)CCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000248428580 870408212 /nfs/dbraw/zinc/40/82/12/870408212.db2.gz RUXGNTAXGPSUIT-MAODMQOUSA-N -1 3 380.488 3.900 20 0 GHADHM Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000446820055 870429152 /nfs/dbraw/zinc/42/91/52/870429152.db2.gz XTPFCPMVSKLFNH-UHFFFAOYSA-N -1 3 388.251 3.961 20 0 GHADHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(F)CCCCC1 ZINC001192496777 870433379 /nfs/dbraw/zinc/43/33/79/870433379.db2.gz WPDTUDIQYPFYOW-UHFFFAOYSA-N -1 3 394.306 3.799 20 0 GHADHM Cc1cccc(Br)c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192568339 870481345 /nfs/dbraw/zinc/48/13/45/870481345.db2.gz HWOFHGYVTIILRE-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000122108074 882418932 /nfs/dbraw/zinc/41/89/32/882418932.db2.gz UVYYZEWYJKVZSP-UHFFFAOYSA-N -1 3 396.274 3.646 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](CCCO)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000525401224 870616403 /nfs/dbraw/zinc/61/64/03/870616403.db2.gz LLDXJKCAUVVNJF-IBGZPJMESA-N -1 3 392.459 3.793 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461623980 870647986 /nfs/dbraw/zinc/64/79/86/870647986.db2.gz NSKZIXJQJSHUKQ-CQSZACIVSA-N -1 3 397.475 3.504 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)cc1Br ZINC001192894589 870751123 /nfs/dbraw/zinc/75/11/23/870751123.db2.gz BLERIZMHLBPMPK-UTUOFQBUSA-N -1 3 376.291 3.611 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(F)cc1 ZINC001192904254 870760491 /nfs/dbraw/zinc/76/04/91/870760491.db2.gz CDXHBRVZWHFEMP-UHFFFAOYSA-N -1 3 399.509 3.710 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC(C2CCC2)CC1 ZINC000617773612 870880939 /nfs/dbraw/zinc/88/09/39/870880939.db2.gz VPETYBSLGGTRMX-UHFFFAOYSA-N -1 3 389.293 3.943 20 0 GHADHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCO2)cc(C(F)(F)F)cc1C(F)(F)F ZINC001193196848 870937598 /nfs/dbraw/zinc/93/75/98/870937598.db2.gz WYNKKACVTFNZDG-SNVBAGLBSA-N -1 3 391.333 3.953 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)n1 ZINC000447044703 870953689 /nfs/dbraw/zinc/95/36/89/870953689.db2.gz OAMVGHLMUMEFQW-HNNXBMFYSA-N -1 3 379.913 3.899 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cc(Br)[nH]n1 ZINC001193285713 871005617 /nfs/dbraw/zinc/00/56/17/871005617.db2.gz SCTNMOUZOVDABB-UHFFFAOYSA-N -1 3 398.600 3.611 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccn1-c1c(Cl)cccc1Cl)C2 ZINC001168939395 871025646 /nfs/dbraw/zinc/02/56/46/871025646.db2.gz PUBVIVIKGLUITD-UHFFFAOYSA-N -1 3 389.242 3.744 20 0 GHADHM COC[C@H](C)[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000461802324 871030855 /nfs/dbraw/zinc/03/08/55/871030855.db2.gz JWEYYUIUGWTGRH-HOTGVXAUSA-N -1 3 390.505 3.653 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F ZINC000766563158 871092443 /nfs/dbraw/zinc/09/24/43/871092443.db2.gz APYIPCSDRYAJME-IBGZPJMESA-N -1 3 389.423 3.644 20 0 GHADHM O=S(=O)([N-]Cc1ccc2cccnc2c1)c1cc(C(F)(F)F)ccc1F ZINC001193516635 871153139 /nfs/dbraw/zinc/15/31/39/871153139.db2.gz BAASGFILCQMYKO-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM C[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)c2ccccc2N1Cc1ccccc1 ZINC001193517294 871156322 /nfs/dbraw/zinc/15/63/22/871156322.db2.gz QILGASHTHBDVJX-MRXNPFEDSA-N -1 3 391.437 3.970 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1Cc2cc(Br)cnc2C1 ZINC001193749395 871290279 /nfs/dbraw/zinc/29/02/79/871290279.db2.gz MQJSHXSJIRBDOQ-UHFFFAOYSA-N -1 3 387.155 3.725 20 0 GHADHM CSc1ncc(Cl)c(CNC(=O)c2ccc([O-])cc2C(F)(F)F)n1 ZINC001193759118 871299384 /nfs/dbraw/zinc/29/93/84/871299384.db2.gz NDRLBEPRLXCGPH-UHFFFAOYSA-N -1 3 377.775 3.506 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001193937900 871380982 /nfs/dbraw/zinc/38/09/82/871380982.db2.gz ZZSQBBREHMBMRE-UHFFFAOYSA-N -1 3 384.432 3.909 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)Cc2noc3ccccc32)c1 ZINC001194044923 871460847 /nfs/dbraw/zinc/46/08/47/871460847.db2.gz RMLXGQJWVJDBOC-UHFFFAOYSA-N -1 3 397.250 3.541 20 0 GHADHM NC(=O)c1ccc(OC2CCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)cc1 ZINC001142118712 871528768 /nfs/dbraw/zinc/52/87/68/871528768.db2.gz XLOQDFLNRIUSEW-UHFFFAOYSA-N -1 3 395.286 3.841 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194498181 871749994 /nfs/dbraw/zinc/74/99/94/871749994.db2.gz DZKZLMJDCUSKNA-UHFFFAOYSA-N -1 3 394.811 3.615 20 0 GHADHM COc1ccccc1CN(Cc1cc(=O)oc2cc([O-])ccc12)C[C@@H]1CCCO1 ZINC000182035694 871751247 /nfs/dbraw/zinc/75/12/47/871751247.db2.gz ZGNFQALVEJUCOM-IBGZPJMESA-N -1 3 395.455 3.688 20 0 GHADHM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1nc(Cl)nc2[nH]cnc21 ZINC001194548604 871783973 /nfs/dbraw/zinc/78/39/73/871783973.db2.gz PXACVLBLKOUPTO-UHFFFAOYSA-N -1 3 378.628 3.636 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)C(F)(F)F ZINC001194634572 871841352 /nfs/dbraw/zinc/84/13/52/871841352.db2.gz VAQOHTQNSFTQPE-UHFFFAOYSA-N -1 3 398.406 3.556 20 0 GHADHM CN(CCc1cccc(Br)c1)Cc1nnc(-c2ccccc2[O-])o1 ZINC001194690414 871889017 /nfs/dbraw/zinc/88/90/17/871889017.db2.gz BWZJQEXFYOBZJW-UHFFFAOYSA-N -1 3 388.265 3.879 20 0 GHADHM CC1(C)CO[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC001194692307 871890334 /nfs/dbraw/zinc/89/03/34/871890334.db2.gz WAPOORHUFWOIFZ-NSHDSACASA-N -1 3 396.734 3.586 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c1[O-] ZINC000552069654 871974682 /nfs/dbraw/zinc/97/46/82/871974682.db2.gz BGUYQBFMRNTITQ-UHFFFAOYSA-N -1 3 378.432 3.860 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(-c2ccc3c(c2)OCO3)cn1 ZINC001194938590 872044957 /nfs/dbraw/zinc/04/49/57/872044957.db2.gz VFCIWEMJFFWCTN-UHFFFAOYSA-N -1 3 376.368 3.638 20 0 GHADHM Cc1cc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1Cl ZINC001194997745 872094677 /nfs/dbraw/zinc/09/46/77/872094677.db2.gz ZWYQBQSTNJPUTM-NSHDSACASA-N -1 3 384.860 3.650 20 0 GHADHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)C(C)(C)O1 ZINC001195287136 872313019 /nfs/dbraw/zinc/31/30/19/872313019.db2.gz PPFBWGNGDHTFFO-AWEZNQCLSA-N -1 3 380.535 3.682 20 0 GHADHM O=S(=O)([N-][C@H](CN1CCCC1)c1ccccc1)c1c(F)cccc1Cl ZINC000463679641 872319970 /nfs/dbraw/zinc/31/99/70/872319970.db2.gz URPGAFKGCXUJJU-QGZVFWFLSA-N -1 3 382.888 3.595 20 0 GHADHM CCc1ccc(CCN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cc1 ZINC001195300320 872322054 /nfs/dbraw/zinc/32/20/54/872322054.db2.gz STUFTHOVEYJSDU-SFHVURJKSA-N -1 3 376.422 3.901 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000463694694 872351789 /nfs/dbraw/zinc/35/17/89/872351789.db2.gz BOXJUJCVAWGXPZ-ZFWWWQNUSA-N -1 3 382.888 3.593 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1cc(Br)ccc1F ZINC001195505118 872454685 /nfs/dbraw/zinc/45/46/85/872454685.db2.gz GBAUDZIFBOKGDD-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM O=S(=O)([N-]Cc1sccc1Cl)c1cc(Br)ccc1F ZINC001195508860 872457773 /nfs/dbraw/zinc/45/77/73/872457773.db2.gz YQTUVJIMCXQAPS-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000527025841 872499697 /nfs/dbraw/zinc/49/96/97/872499697.db2.gz WNPRVSBYOLJDNE-HYBUGGRVSA-N -1 3 395.499 3.588 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000478109463 872516959 /nfs/dbraw/zinc/51/69/59/872516959.db2.gz HOULLCPFIUVIDS-CABCVRRESA-N -1 3 390.480 3.793 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000540929477 872517883 /nfs/dbraw/zinc/51/78/83/872517883.db2.gz YPRIZNHFYDPQOR-UHFFFAOYSA-N -1 3 391.321 3.802 20 0 GHADHM Cc1ccc(CCNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000540944469 872553086 /nfs/dbraw/zinc/55/30/86/872553086.db2.gz DQESJRSTLPRGJU-NRFANRHFSA-N -1 3 392.455 3.514 20 0 GHADHM COc1cc(C(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)cc(OC)c1[O-] ZINC000619375069 872601784 /nfs/dbraw/zinc/60/17/84/872601784.db2.gz SHPZYJUHDKELOV-GFCCVEGCSA-N -1 3 391.851 3.707 20 0 GHADHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)[C@@H]2CCc3ccccc3C2)CCCCC1 ZINC001195744139 872645880 /nfs/dbraw/zinc/64/58/80/872645880.db2.gz MENUEYLMXXGOJR-GOSISDBHSA-N -1 3 393.549 3.508 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)[n-]1 ZINC000619449543 872666570 /nfs/dbraw/zinc/66/65/70/872666570.db2.gz MGGAWDLRLHBVOL-CQSZACIVSA-N -1 3 379.416 3.979 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)c[n-]1 ZINC000619449543 872666582 /nfs/dbraw/zinc/66/65/82/872666582.db2.gz MGGAWDLRLHBVOL-CQSZACIVSA-N -1 3 379.416 3.979 20 0 GHADHM COc1ccc(COc2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c2)cc1 ZINC001195802994 872673117 /nfs/dbraw/zinc/67/31/17/872673117.db2.gz RCFLNHQQIODACO-UHFFFAOYSA-N -1 3 385.441 3.781 20 0 GHADHM O=S(=O)([N-]c1ccc2c(cnn2Cc2cccc(F)c2)c1)c1ccc(O)cc1 ZINC001195802594 872673498 /nfs/dbraw/zinc/67/34/98/872673498.db2.gz GNIHHXCBBQVFOC-UHFFFAOYSA-N -1 3 397.431 3.730 20 0 GHADHM COc1ccc([C@@H](C)[C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182731653 872712581 /nfs/dbraw/zinc/71/25/81/872712581.db2.gz XXLQCYGGOAHJOR-UONOGXRCSA-N -1 3 378.494 3.679 20 0 GHADHM Cc1nn(C)c2cc(NC(=O)NCc3ccc([O-])c(Br)c3)ccc12 ZINC000463835522 872714346 /nfs/dbraw/zinc/71/43/46/872714346.db2.gz JMPNIEDMJAUKNA-UHFFFAOYSA-N -1 3 389.253 3.672 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]2CCC[C@H]21)c1ccc(Br)cc1C(F)(F)F ZINC001195868961 872727540 /nfs/dbraw/zinc/72/75/40/872727540.db2.gz HINMMIRRKIMUED-HLUHBDAQSA-N -1 3 398.244 3.935 20 0 GHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1Cc1ccccc1 ZINC001195879616 872733082 /nfs/dbraw/zinc/73/30/82/872733082.db2.gz OPEQTFLJZFRDNR-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC001195942162 872741919 /nfs/dbraw/zinc/74/19/19/872741919.db2.gz AOZDWNBALUXQLS-UHFFFAOYSA-N -1 3 387.321 3.930 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)CCC2CCCCC2)CC[C@H](C)c2ccccc21 ZINC001196052066 872857860 /nfs/dbraw/zinc/85/78/60/872857860.db2.gz JLBWNRVREMVRJJ-HRAATJIYSA-N -1 3 393.549 3.842 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@H]1C1CCCC1)c1c(F)cccc1OC(F)(F)F ZINC001196121617 872907403 /nfs/dbraw/zinc/90/74/03/872907403.db2.gz TYJOTSRYQLQMGB-NEPJUHHUSA-N -1 3 381.391 3.829 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3ccc(C(F)(F)F)cc3)c12 ZINC001196188553 872911600 /nfs/dbraw/zinc/91/16/00/872911600.db2.gz UMYKJJOKHQYTHB-UHFFFAOYSA-N -1 3 380.351 3.869 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1F)C1CCC1)c1ccc(Br)cn1 ZINC001196182969 872938153 /nfs/dbraw/zinc/93/81/53/872938153.db2.gz TVCHUGOABWEXDW-INIZCTEOSA-N -1 3 399.285 3.803 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1cccc(Cl)c1 ZINC000508067759 872942682 /nfs/dbraw/zinc/94/26/82/872942682.db2.gz KQEVAIGGCDLHHV-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(Cl)c1 ZINC000508086358 872962511 /nfs/dbraw/zinc/96/25/11/872962511.db2.gz CEOMKQUDSBCLES-UHFFFAOYSA-N -1 3 397.880 3.861 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCCC1)c1ccc(Cl)cn1 ZINC001196252932 872971714 /nfs/dbraw/zinc/97/17/14/872971714.db2.gz KTSWECQKDSAJOY-UHFFFAOYSA-N -1 3 379.913 3.594 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cn1 ZINC001196263562 872976127 /nfs/dbraw/zinc/97/61/27/872976127.db2.gz BWGDQHQNDXKAPW-UHFFFAOYSA-N -1 3 376.787 3.721 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000182977403 873056092 /nfs/dbraw/zinc/05/60/92/873056092.db2.gz PJUORHUYHICDJH-GOSISDBHSA-N -1 3 386.517 3.655 20 0 GHADHM CCc1sc(NC(=O)c2cccc3n[n-]nc32)nc1-c1ccc(OC)cc1 ZINC000527356845 873075437 /nfs/dbraw/zinc/07/54/37/873075437.db2.gz AQTUCPJPCFXWRZ-UHFFFAOYSA-N -1 3 379.445 3.905 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1coc(C2CCCC2)n1 ZINC000619829153 873078014 /nfs/dbraw/zinc/07/80/14/873078014.db2.gz BAFNJSLZEBVUMI-UHFFFAOYSA-N -1 3 398.200 3.895 20 0 GHADHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c(F)c1 ZINC001196436513 873085468 /nfs/dbraw/zinc/08/54/68/873085468.db2.gz OHKYOVDAIDDXAY-UHFFFAOYSA-N -1 3 392.839 3.793 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000527469143 873167749 /nfs/dbraw/zinc/16/77/49/873167749.db2.gz UWBOVOJSHSGGPO-CYBMUJFWSA-N -1 3 390.421 3.633 20 0 GHADHM O=C(Cc1csc(-c2ccccc2Cl)n1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499022 873219701 /nfs/dbraw/zinc/21/97/01/873219701.db2.gz DEHSOZJXYBUASN-OAHLLOKOSA-N -1 3 388.880 3.641 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122771313 882702831 /nfs/dbraw/zinc/70/28/31/882702831.db2.gz ZHWJDRKWSXJCMZ-ZIAGYGMSSA-N -1 3 398.406 3.819 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)c(Cl)c2)c1 ZINC001196784714 873357403 /nfs/dbraw/zinc/35/74/03/873357403.db2.gz MAVSYJZPAXYQOP-UHFFFAOYSA-N -1 3 397.777 3.985 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC001196777212 873384293 /nfs/dbraw/zinc/38/42/93/873384293.db2.gz LZPYQJAFJDTYAH-JTQLQIEISA-N -1 3 377.359 3.893 20 0 GHADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCN1Cc1ccccc1 ZINC000464195291 873387507 /nfs/dbraw/zinc/38/75/07/873387507.db2.gz WSGIDAWDHYADLD-HOCLYGCPSA-N -1 3 396.915 3.811 20 0 GHADHM CCc1cc(C(=O)OC)c([N-]C(=O)c2sc(OC)nc2C(F)(F)F)s1 ZINC001196830687 873390445 /nfs/dbraw/zinc/39/04/45/873390445.db2.gz HMTJFSFXDPTPPX-UHFFFAOYSA-N -1 3 394.396 3.833 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1Cl ZINC000464203569 873391049 /nfs/dbraw/zinc/39/10/49/873391049.db2.gz HSMKOMVPPRLZDS-UHFFFAOYSA-N -1 3 392.889 3.625 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)OC(C)C)c2)c(C)c1 ZINC001196887832 873429828 /nfs/dbraw/zinc/42/98/28/873429828.db2.gz KSNAAEJLXZMUBD-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM CC(=O)[C@H](Cc1ccccc1F)OC(=O)c1cccc(Br)c1[O-] ZINC000768698194 873504951 /nfs/dbraw/zinc/50/49/51/873504951.db2.gz MTWOIAZXYYZGRV-HNNXBMFYSA-N -1 3 381.197 3.651 20 0 GHADHM CSc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc(C(F)(F)F)c1 ZINC001196996038 873517240 /nfs/dbraw/zinc/51/72/40/873517240.db2.gz BYMHMFPYSJKELF-UHFFFAOYSA-N -1 3 393.394 3.537 20 0 GHADHM CSc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc(C(F)(F)F)c1 ZINC001196996038 873517246 /nfs/dbraw/zinc/51/72/46/873517246.db2.gz BYMHMFPYSJKELF-UHFFFAOYSA-N -1 3 393.394 3.537 20 0 GHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2Cl)s1 ZINC000551161820 883400907 /nfs/dbraw/zinc/40/09/07/883400907.db2.gz KBDOGHZCLUCYJS-QMMMGPOBSA-N -1 3 395.731 3.907 20 0 GHADHM CCc1cc2c(CNc3ccc(N4CCOCC4)c(F)c3)cc(=O)oc2cc1[O-] ZINC000102778401 873578645 /nfs/dbraw/zinc/57/86/45/873578645.db2.gz DZWVFUOTEXCVJR-UHFFFAOYSA-N -1 3 398.434 3.649 20 0 GHADHM CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc([O-])cc1OC ZINC001197170237 873636703 /nfs/dbraw/zinc/63/67/03/873636703.db2.gz IWYNSXMMJVNZHA-RTBURBONSA-N -1 3 383.444 3.700 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(C)c(OC(C)C)c(C)c1 ZINC001197238804 873666099 /nfs/dbraw/zinc/66/60/99/873666099.db2.gz MBZPZYYCBHXRDA-UHFFFAOYSA-N -1 3 375.396 3.974 20 0 GHADHM C[C@H]1CN(c2ccc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cn2)C[C@H](C)O1 ZINC000134126085 882748278 /nfs/dbraw/zinc/74/82/78/882748278.db2.gz OCBBPSKTZZLGOX-RYUDHWBXSA-N -1 3 395.381 3.672 20 0 GHADHM COc1ccc(Br)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509068157 873782044 /nfs/dbraw/zinc/78/20/44/873782044.db2.gz QLLHHDDRIZIRCK-UHFFFAOYSA-N -1 3 393.262 3.807 20 0 GHADHM O=C(c1cc2sccc2s1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000509067604 873782523 /nfs/dbraw/zinc/78/25/23/873782523.db2.gz VYEDALWRFVXOSB-UHFFFAOYSA-N -1 3 394.468 3.905 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000007673776 873801041 /nfs/dbraw/zinc/80/10/41/873801041.db2.gz MKZMFRHUDRMYOA-UHFFFAOYSA-N -1 3 379.243 3.846 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)nc1C ZINC001197726739 874011593 /nfs/dbraw/zinc/01/15/93/874011593.db2.gz XPINVMKVCMXLFT-UHFFFAOYSA-N -1 3 380.684 3.996 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)c1cc(F)ccc1F ZINC001197774747 874038998 /nfs/dbraw/zinc/03/89/98/874038998.db2.gz DBAAAUGSAXKWCK-UHFFFAOYSA-N -1 3 394.226 3.574 20 0 GHADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448866632 874086714 /nfs/dbraw/zinc/08/67/14/874086714.db2.gz SAQBZFXLSBQFJJ-OAHLLOKOSA-N -1 3 376.859 3.678 20 0 GHADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ncc(Br)cc1F ZINC000769670448 874223780 /nfs/dbraw/zinc/22/37/80/874223780.db2.gz CFNXRTMVMAXDRZ-AATRIKPKSA-N -1 3 375.194 3.535 20 0 GHADHM COC(=O)c1ccc([O-])cc1NC(=S)Nc1ccccc1OC(F)(F)F ZINC001198172727 874259560 /nfs/dbraw/zinc/25/95/60/874259560.db2.gz XRNNQWODLMQSGR-UHFFFAOYSA-N -1 3 386.351 3.886 20 0 GHADHM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000769807613 874299091 /nfs/dbraw/zinc/29/90/91/874299091.db2.gz FEGNUNXXFITIIP-MRXNPFEDSA-N -1 3 398.503 3.968 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1F ZINC000769888562 874352779 /nfs/dbraw/zinc/35/27/79/874352779.db2.gz DPSMTRPGORLMNH-UHFFFAOYSA-N -1 3 381.759 3.890 20 0 GHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(N2CCCCC2)nc1 ZINC000858082348 882827397 /nfs/dbraw/zinc/82/73/97/882827397.db2.gz SXHFEDFMDBTLDC-UHFFFAOYSA-N -1 3 397.262 3.502 20 0 GHADHM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528350443 874449712 /nfs/dbraw/zinc/44/97/12/874449712.db2.gz CEUPVYQYAXFNOZ-IAGOWNOFSA-N -1 3 376.250 3.805 20 0 GHADHM CCCOc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1Cl ZINC001198523954 874460650 /nfs/dbraw/zinc/46/06/50/874460650.db2.gz NCKZWSCAPLBOIU-UHFFFAOYSA-N -1 3 386.843 3.877 20 0 GHADHM CCCOc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1Cl ZINC001198523954 874460653 /nfs/dbraw/zinc/46/06/53/874460653.db2.gz NCKZWSCAPLBOIU-UHFFFAOYSA-N -1 3 386.843 3.877 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1C1CC1 ZINC000541888543 874466718 /nfs/dbraw/zinc/46/67/18/874466718.db2.gz BVVCKQDHVGBDOD-KSSFIOAISA-N -1 3 396.491 3.680 20 0 GHADHM C=Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1 ZINC001198546675 874495051 /nfs/dbraw/zinc/49/50/51/874495051.db2.gz VCYJIYAUHDJIDL-UHFFFAOYSA-N -1 3 387.686 3.619 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccn(Cc2ccccc2)c1 ZINC000541960797 874603539 /nfs/dbraw/zinc/60/35/39/874603539.db2.gz YYSQEHPYWBQWQI-UHFFFAOYSA-N -1 3 385.261 3.935 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)O1 ZINC000464851800 874638455 /nfs/dbraw/zinc/63/84/55/874638455.db2.gz AXBGJELOHLAXNH-PKOBYXMFSA-N -1 3 388.489 3.692 20 0 GHADHM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000193374099 874928352 /nfs/dbraw/zinc/92/83/52/874928352.db2.gz SPZWGYDKCQVJOO-UHFFFAOYSA-N -1 3 397.258 3.896 20 0 GHADHM CC(C)n1ncc2ccc(NC(=O)N[C@H](C)c3nc(C(F)(F)F)n[n-]3)cc21 ZINC001199424749 874962538 /nfs/dbraw/zinc/96/25/38/874962538.db2.gz DCFGSGLYVXCVCE-SECBINFHSA-N -1 3 381.362 3.637 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)nn2Cc2ccccc2)n1 ZINC001199595130 875066481 /nfs/dbraw/zinc/06/64/81/875066481.db2.gz SWWGRMPPYMZWPZ-UHFFFAOYSA-N -1 3 376.338 3.612 20 0 GHADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000542248480 875247765 /nfs/dbraw/zinc/24/77/65/875247765.db2.gz PYNZFUNLUWKTPB-CQSZACIVSA-N -1 3 379.464 3.830 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1nc(Cl)ccc1Cl ZINC000771594022 875337637 /nfs/dbraw/zinc/33/76/37/875337637.db2.gz DIMPLXAUGHANQE-UHFFFAOYSA-N -1 3 384.610 3.785 20 0 GHADHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000771588783 875353076 /nfs/dbraw/zinc/35/30/76/875353076.db2.gz VQPRYTMGZIMGBC-NOZJJQNGSA-N -1 3 382.309 3.562 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542315072 875354568 /nfs/dbraw/zinc/35/45/68/875354568.db2.gz CIXWEEOHNMXFLC-ZJUUUORDSA-N -1 3 382.320 3.541 20 0 GHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000465291220 875458939 /nfs/dbraw/zinc/45/89/39/875458939.db2.gz UGNGKEUHOWRPAB-HOCLYGCPSA-N -1 3 390.480 3.887 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000449875425 875588729 /nfs/dbraw/zinc/58/87/29/875588729.db2.gz YZLFVTSVMFGQMW-UHFFFAOYSA-N -1 3 395.352 3.613 20 0 GHADHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201276857 875609779 /nfs/dbraw/zinc/60/97/79/875609779.db2.gz VJYJEMQGGSCZFE-UHFFFAOYSA-N -1 3 394.251 3.628 20 0 GHADHM O=S(=O)([N-]c1ncc(O)cc1Cl)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201351411 875654143 /nfs/dbraw/zinc/65/41/43/875654143.db2.gz JKVFAUOEULVZNC-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000123028022 882953327 /nfs/dbraw/zinc/95/33/27/882953327.db2.gz KIYHTYCZPYXOAF-RTWAWAEBSA-N -1 3 376.456 3.957 20 0 GHADHM C[C@H](O)[C@](C)(CNC(=O)c1cc([O-])cc(Br)c1)Cc1ccccc1 ZINC000529159714 875716741 /nfs/dbraw/zinc/71/67/41/875716741.db2.gz QYQLAEHMJPHKSH-DJJJIMSYSA-N -1 3 392.293 3.514 20 0 GHADHM CC(C)Nc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2N)cc1 ZINC001201497666 875721230 /nfs/dbraw/zinc/72/12/30/875721230.db2.gz JBCFYRZSGSAWIT-UHFFFAOYSA-N -1 3 384.299 3.652 20 0 GHADHM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(Oc4ccncc4)cc3)ccc2o1 ZINC001201622763 875797176 /nfs/dbraw/zinc/79/71/76/875797176.db2.gz HCVIVXWODMJCFP-UHFFFAOYSA-N -1 3 383.385 3.522 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3ccc(C4CC4)nc3)c2)ccc1O ZINC001201714225 875829041 /nfs/dbraw/zinc/82/90/41/875829041.db2.gz DXWYRZBERPVNHQ-UHFFFAOYSA-N -1 3 397.456 3.529 20 0 GHADHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000529233293 875887927 /nfs/dbraw/zinc/88/79/27/875887927.db2.gz NLRZWRNBQRVZQB-QTXLCTLRSA-N -1 3 396.325 3.947 20 0 GHADHM COc1ccc([C@H]2C[C@H](NC(=O)c3cc([O-])cc(Br)c3)C2)cc1F ZINC000529286050 875959630 /nfs/dbraw/zinc/95/96/30/875959630.db2.gz VVYSEKTUVSVXHW-YEORSEQZSA-N -1 3 394.240 3.978 20 0 GHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccccc1CC(F)(F)F ZINC000172901717 876003158 /nfs/dbraw/zinc/00/31/58/876003158.db2.gz YDCWWZXNNQDGIE-UHFFFAOYSA-N -1 3 377.359 3.751 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(OC(F)F)cn3)nc(=O)c2c1C ZINC000772556104 876023582 /nfs/dbraw/zinc/02/35/82/876023582.db2.gz JMZPIOYOGZZIMX-MRVPVSSYSA-N -1 3 395.387 3.928 20 0 GHADHM CCC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(Cl)c1 ZINC000529411286 876100119 /nfs/dbraw/zinc/10/01/19/876100119.db2.gz PVHCRMWPPGZAEN-CQSZACIVSA-N -1 3 387.867 3.758 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000107532372 876368115 /nfs/dbraw/zinc/36/81/15/876368115.db2.gz UFDMXRQPYCCDBL-UHFFFAOYSA-N -1 3 378.881 3.944 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccccc1 ZINC000537656026 883022971 /nfs/dbraw/zinc/02/29/71/883022971.db2.gz AJRDUYXLFGXIQB-AWEZNQCLSA-N -1 3 390.288 3.668 20 0 GHADHM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2sccc2c([O-])c1 ZINC000786138860 876502339 /nfs/dbraw/zinc/50/23/39/876502339.db2.gz BYSUMBWSFXGNRM-OAHLLOKOSA-N -1 3 389.379 3.847 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000173815238 876662056 /nfs/dbraw/zinc/66/20/56/876662056.db2.gz ADMQCRRJAOCSDF-UHFFFAOYSA-N -1 3 384.832 3.856 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000173836895 876674930 /nfs/dbraw/zinc/67/49/30/876674930.db2.gz XINRZAPNXAAUQK-JTQLQIEISA-N -1 3 398.403 3.739 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CCCN3c3ccccc3)c2)n1 ZINC000786424560 876685047 /nfs/dbraw/zinc/68/50/47/876685047.db2.gz LWORIAXHRFPGAK-IBGZPJMESA-N -1 3 375.428 3.732 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000174056405 876808494 /nfs/dbraw/zinc/80/84/94/876808494.db2.gz CNDMVRZUMGMNEL-UHFFFAOYSA-N -1 3 377.506 3.966 20 0 GHADHM C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000786763554 876916255 /nfs/dbraw/zinc/91/62/55/876916255.db2.gz IVCNOHSLJZURRM-CMPLNLGQSA-N -1 3 399.285 3.739 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000786832080 876950566 /nfs/dbraw/zinc/95/05/66/876950566.db2.gz WCBQHYHOAXBZRQ-MRXNPFEDSA-N -1 3 394.487 3.617 20 0 GHADHM Cc1ccc2c(c1)[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)[C@H](C)C2 ZINC000850577228 877047982 /nfs/dbraw/zinc/04/79/82/877047982.db2.gz WKVYUJYVVTYPSK-JLTOFOAXSA-N -1 3 398.507 3.538 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc2c(c1)CCC2 ZINC000850577317 877049006 /nfs/dbraw/zinc/04/90/06/877049006.db2.gz ZBPRQKXMKGRFAD-CQSZACIVSA-N -1 3 398.507 3.546 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)OCC)cc2)cc1 ZINC000610058196 877341382 /nfs/dbraw/zinc/34/13/82/877341382.db2.gz QSENZCSKPYUQID-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1C ZINC000530284853 877409890 /nfs/dbraw/zinc/40/98/90/877409890.db2.gz YMGLDWSOCVZEKP-UHFFFAOYSA-N -1 3 391.493 3.596 20 0 GHADHM O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)[N-]OC1CCCCC1 ZINC000787539777 877463800 /nfs/dbraw/zinc/46/38/00/877463800.db2.gz BFRWPUTWVMAPBN-UHFFFAOYSA-N -1 3 380.514 3.685 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000460542483 877489488 /nfs/dbraw/zinc/48/94/88/877489488.db2.gz DXMNZQRDNNZUOA-LJQANCHMSA-N -1 3 394.519 3.772 20 0 GHADHM CCOc1ccccc1[C@H](CC)NC(=O)CSCc1nc(CC)cc(=O)[n-]1 ZINC000477349868 877499921 /nfs/dbraw/zinc/49/99/21/877499921.db2.gz IUAMJKKZCSGXGN-INIZCTEOSA-N -1 3 389.521 3.644 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000137213823 877520981 /nfs/dbraw/zinc/52/09/81/877520981.db2.gz KXLPOPPJNHNUNQ-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000787844808 877663617 /nfs/dbraw/zinc/66/36/17/877663617.db2.gz OFQNKUSPGHZZBB-UHFFFAOYSA-N -1 3 392.333 3.926 20 0 GHADHM COc1ccc(-c2nnc(COC(=O)CCCc3ccc([O-])c(F)c3)o2)cc1 ZINC000787850030 877670054 /nfs/dbraw/zinc/67/00/54/877670054.db2.gz OHVUNWGQOSKNEL-UHFFFAOYSA-N -1 3 386.379 3.656 20 0 GHADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000477508523 877722228 /nfs/dbraw/zinc/72/22/28/877722228.db2.gz OSOXSQFATHDYDK-UHFFFAOYSA-N -1 3 375.494 3.538 20 0 GHADHM Cc1nc([C@H]2CCCOC2)sc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000551815035 877882928 /nfs/dbraw/zinc/88/29/28/877882928.db2.gz BVKZYLQOINNQKV-AWEZNQCLSA-N -1 3 382.489 3.718 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)c(Cl)c2)cc1 ZINC000516415151 878070266 /nfs/dbraw/zinc/07/02/66/878070266.db2.gz IUHSATFJXWEBHF-UHFFFAOYSA-N -1 3 385.869 3.565 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)s2)c(C)c1Cl ZINC000788601416 878198587 /nfs/dbraw/zinc/19/85/87/878198587.db2.gz QFTNSNMCSMCHGI-VIFPVBQESA-N -1 3 393.939 3.906 20 0 GHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000451606436 878205907 /nfs/dbraw/zinc/20/59/07/878205907.db2.gz IHTRRMCZHDNNEY-UHFFFAOYSA-N -1 3 376.650 3.816 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cccc(Cl)n2)CC1 ZINC000173223005 878308953 /nfs/dbraw/zinc/30/89/53/878308953.db2.gz MVUJJDJLRKLYHS-UHFFFAOYSA-N -1 3 380.275 3.945 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000176695083 878357583 /nfs/dbraw/zinc/35/75/83/878357583.db2.gz IRFQUOXBBMSZFN-CVEARBPZSA-N -1 3 396.535 3.794 20 0 GHADHM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000451782240 878469509 /nfs/dbraw/zinc/46/95/09/878469509.db2.gz BCRPBGSAQHEHHO-UHFFFAOYSA-N -1 3 384.832 3.645 20 0 GHADHM O=C(CCOCC(F)(F)F)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000530798616 878502225 /nfs/dbraw/zinc/50/22/25/878502225.db2.gz MHMMYYFQLXUDRU-UHFFFAOYSA-N -1 3 382.169 3.713 20 0 GHADHM Cc1ncsc1CCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672917 878510357 /nfs/dbraw/zinc/51/03/57/878510357.db2.gz ZRXRJIUVISKRHP-HZPDHXFCSA-N -1 3 397.466 3.531 20 0 GHADHM Cn1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c(C(F)(F)F)n1 ZINC000110768449 878522510 /nfs/dbraw/zinc/52/25/10/878522510.db2.gz KCMTUZMKKKBMEC-UHFFFAOYSA-N -1 3 385.396 3.694 20 0 GHADHM COc1cccc([C@@H](C)CCCC(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000789044383 878569082 /nfs/dbraw/zinc/56/90/82/878569082.db2.gz ALQVPVCGGQPXCK-AWEZNQCLSA-N -1 3 389.473 3.530 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)c1c(C)noc1C ZINC000180217380 878660526 /nfs/dbraw/zinc/66/05/26/878660526.db2.gz MEVUHFNZXWRIDY-LLVKDONJSA-N -1 3 387.845 3.591 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC000285660889 912381346 /nfs/dbraw/zinc/38/13/46/912381346.db2.gz XTSWWNGCCSBRQE-KRWDZBQOSA-N -1 3 380.916 3.874 20 0 GHADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1ccc(Cl)s1 ZINC000452097172 878926880 /nfs/dbraw/zinc/92/68/80/878926880.db2.gz XZLUGWSZHLKFIL-CYBMUJFWSA-N -1 3 377.940 3.645 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)[nH][n-]1 ZINC000538219136 879036116 /nfs/dbraw/zinc/03/61/16/879036116.db2.gz AFGGBJVPAZTENT-LJQANCHMSA-N -1 3 388.393 3.639 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616725445 879039780 /nfs/dbraw/zinc/03/97/80/879039780.db2.gz WQQFYGZKGNICBD-TYPHKJRUSA-N -1 3 378.472 3.654 20 0 GHADHM Cc1o[n-]c(=NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)c1C ZINC000452159391 879056482 /nfs/dbraw/zinc/05/64/82/879056482.db2.gz GBAWXPANAVGURF-UHFFFAOYSA-N -1 3 394.262 3.977 20 0 GHADHM COC(=O)c1ccc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000178627157 879162296 /nfs/dbraw/zinc/16/22/96/879162296.db2.gz BZJPOVMMKJRMMP-UHFFFAOYSA-N -1 3 393.237 3.571 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C(C)(C)c3ccc4ccccc4c3)cc2n(C)c1=O ZINC000643039154 912424829 /nfs/dbraw/zinc/42/48/29/912424829.db2.gz RPANKGDJUSZWHT-UHFFFAOYSA-N -1 3 389.455 3.652 20 0 GHADHM COc1ccc(Cn2cc(NCc3cc(=O)oc4c(C)c([O-])ccc34)cn2)cc1 ZINC000789696532 879177678 /nfs/dbraw/zinc/17/76/78/879177678.db2.gz LQDADQHGNHJUDZ-UHFFFAOYSA-N -1 3 391.427 3.673 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789752972 879265061 /nfs/dbraw/zinc/26/50/61/879265061.db2.gz PHVWMZWUJDVUJS-HNNXBMFYSA-N -1 3 392.496 3.558 20 0 GHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000790077617 879418744 /nfs/dbraw/zinc/41/87/44/879418744.db2.gz VTKBTGNPMBBCRO-CQSZACIVSA-N -1 3 386.411 3.809 20 0 GHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000790077617 879418747 /nfs/dbraw/zinc/41/87/47/879418747.db2.gz VTKBTGNPMBBCRO-CQSZACIVSA-N -1 3 386.411 3.809 20 0 GHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000790077617 879418752 /nfs/dbraw/zinc/41/87/52/879418752.db2.gz VTKBTGNPMBBCRO-CQSZACIVSA-N -1 3 386.411 3.809 20 0 GHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c[n-]c2ccccc2c1=O ZINC000461242835 879424133 /nfs/dbraw/zinc/42/41/33/879424133.db2.gz KQLZZNNRTAUXCB-UHFFFAOYSA-N -1 3 398.344 3.985 20 0 GHADHM CN1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246467237 879586424 /nfs/dbraw/zinc/58/64/24/879586424.db2.gz JITGDPXIDBFOLS-SJLPKXTDSA-N -1 3 395.837 3.568 20 0 GHADHM O=C(CCCCOc1ccc(Br)cc1)[N-]OCc1cccnc1 ZINC000152714495 879610367 /nfs/dbraw/zinc/61/03/67/879610367.db2.gz MDCYQTGCTZPBMF-UHFFFAOYSA-N -1 3 379.254 3.641 20 0 GHADHM COc1ccccc1-c1nnc([N-]C(=O)c2sc([C@H](C)OC)nc2C)s1 ZINC000452525167 879625108 /nfs/dbraw/zinc/62/51/08/879625108.db2.gz WVMRCVZQZARHJJ-JTQLQIEISA-N -1 3 390.490 3.938 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001183377793 912492013 /nfs/dbraw/zinc/49/20/13/912492013.db2.gz FZFPDCCDHIWHRJ-QWHCGFSZSA-N -1 3 382.420 3.524 20 0 GHADHM CCOc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc(Cl)c1[O-] ZINC000493998525 879802830 /nfs/dbraw/zinc/80/28/30/879802830.db2.gz DPCOPFREVZZUHH-KBXCAEBGSA-N -1 3 388.895 3.837 20 0 GHADHM COc1cc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc(OC)c1[O-] ZINC000617459071 879814994 /nfs/dbraw/zinc/81/49/94/879814994.db2.gz ALXPUFWNJNFHFY-QGZVFWFLSA-N -1 3 385.460 3.619 20 0 GHADHM CCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C ZINC000452664605 879833270 /nfs/dbraw/zinc/83/32/70/879833270.db2.gz UHTNESXOGPDLAY-KRWDZBQOSA-N -1 3 395.500 3.899 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000854578319 879918416 /nfs/dbraw/zinc/91/84/16/879918416.db2.gz OITAZMAXCBTRHU-UHFFFAOYSA-N -1 3 392.521 3.587 20 0 GHADHM CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000854581986 879923106 /nfs/dbraw/zinc/92/31/06/879923106.db2.gz YACDROKPDOIKGT-NRFANRHFSA-N -1 3 396.447 3.647 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC000854603450 879942656 /nfs/dbraw/zinc/94/26/56/879942656.db2.gz IXJXBLXQDOCQTE-BBRMVZONSA-N -1 3 392.521 3.586 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Oc4ccccc4)nc3)nc21 ZINC000494138631 879944656 /nfs/dbraw/zinc/94/46/56/879944656.db2.gz FVDXOTBBNBJWDA-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM CC[C@H](CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(OC)cc1 ZINC000494130782 879960733 /nfs/dbraw/zinc/96/07/33/879960733.db2.gz MLGRQUOFRBUHHU-CYBMUJFWSA-N -1 3 381.432 3.881 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(OC)c(OC)c2C)cc1[N-]S(C)(=O)=O ZINC000285968201 912520095 /nfs/dbraw/zinc/52/00/95/912520095.db2.gz FWMADYXSQMQZMY-CYBMUJFWSA-N -1 3 394.493 3.565 20 0 GHADHM CC(C)(COc1ncc(Cl)cc1Cl)[N-]C(=O)C(F)(F)C1CCOCC1 ZINC000790799523 880006650 /nfs/dbraw/zinc/00/66/50/880006650.db2.gz ITOVSEHRWHRQBA-UHFFFAOYSA-N -1 3 397.249 3.724 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(OC(C)C)c1F)OCC ZINC001212319564 880082093 /nfs/dbraw/zinc/08/20/93/880082093.db2.gz LRECIXOBORRSJU-UHFFFAOYSA-N -1 3 379.432 3.794 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183911448 880180421 /nfs/dbraw/zinc/18/04/21/880180421.db2.gz ISRFXHZEZVHJHN-INIZCTEOSA-N -1 3 380.410 3.696 20 0 GHADHM CC(C)(CO)[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cccs1 ZINC000855111585 880270122 /nfs/dbraw/zinc/27/01/22/880270122.db2.gz NPBQPOCHCWDSRZ-AWEZNQCLSA-N -1 3 375.387 3.994 20 0 GHADHM Cc1sc(Br)nc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000855189633 880337295 /nfs/dbraw/zinc/33/72/95/880337295.db2.gz JFGCELRDLZCDLG-UHFFFAOYSA-N -1 3 375.317 3.906 20 0 GHADHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791345954 880343761 /nfs/dbraw/zinc/34/37/61/880343761.db2.gz SCRXODPDJAFOQD-HNNXBMFYSA-N -1 3 399.447 3.782 20 0 GHADHM O=C(C[C@@H]1COCCN1C(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000791386658 880378824 /nfs/dbraw/zinc/37/88/24/880378824.db2.gz JLSOBWDNPUPZSM-MRXNPFEDSA-N -1 3 381.453 3.721 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000184818955 880388131 /nfs/dbraw/zinc/38/81/31/880388131.db2.gz IVBFZFGRMGCSMH-INIZCTEOSA-N -1 3 386.498 3.804 20 0 GHADHM Cc1oc2ncnc([N-]C(=O)c3cc(COc4ccccc4F)on3)c2c1C ZINC000185114540 880480490 /nfs/dbraw/zinc/48/04/90/880480490.db2.gz CXUXXWGGVVHKIM-UHFFFAOYSA-N -1 3 382.351 3.798 20 0 GHADHM CS(=O)(=O)c1cccc([C@H](NCc2cc([O-])cc(F)c2)c2ccccc2)c1 ZINC000185558840 880616420 /nfs/dbraw/zinc/61/64/20/880616420.db2.gz SUCAVMORIHSYHU-OAQYLSRUSA-N -1 3 385.460 3.814 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccc(C(F)F)cc3)[n-]c(=O)c21 ZINC000185886840 880720481 /nfs/dbraw/zinc/72/04/81/880720481.db2.gz WWXVLUFTLGESMH-UHFFFAOYSA-N -1 3 391.399 3.643 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000185938702 880736724 /nfs/dbraw/zinc/73/67/24/880736724.db2.gz ULDWLPWJYFSIIG-NHYWBVRUSA-N -1 3 378.416 3.698 20 0 GHADHM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000855847008 880813952 /nfs/dbraw/zinc/81/39/52/880813952.db2.gz ODAXHBRUBRKNME-SFHVURJKSA-N -1 3 389.835 3.767 20 0 GHADHM CC(C)c1ccccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000532019564 880936018 /nfs/dbraw/zinc/93/60/18/880936018.db2.gz KFQDXXQUEMUNFV-UHFFFAOYSA-N -1 3 378.266 3.973 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000792160514 880950174 /nfs/dbraw/zinc/95/01/74/880950174.db2.gz XEMMNNGVVMRNOJ-JOCHJYFZSA-N -1 3 384.476 3.969 20 0 GHADHM Cc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000187271227 881129845 /nfs/dbraw/zinc/12/98/45/881129845.db2.gz JRHVCYWQHGVDPZ-UHFFFAOYSA-N -1 3 396.472 3.649 20 0 GHADHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792485937 881141863 /nfs/dbraw/zinc/14/18/63/881141863.db2.gz HSDMFVAWWTYTOG-ZDUSSCGKSA-N -1 3 399.410 3.672 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129728475 883138090 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O=S(=O)([N-][C@@H]1CC2(CCC2)Oc2ccccc21)c1cccnc1C(F)(F)F ZINC000805032672 883543153 /nfs/dbraw/zinc/54/31/53/883543153.db2.gz SYZMVKPXPDGQAS-CYBMUJFWSA-N -1 3 398.406 3.825 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3cn(C)c4ccccc34)cc2)n1 ZINC000186263584 883634879 /nfs/dbraw/zinc/63/48/79/883634879.db2.gz IOLMTFDSNMIKPW-HNNXBMFYSA-N -1 3 386.455 3.979 20 0 GHADHM CC[C@@H](C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC ZINC001130153032 883755754 /nfs/dbraw/zinc/75/57/54/883755754.db2.gz UEFZKKGMDOOUQN-MFKMUULPSA-N -1 3 392.240 3.635 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc(SC)cc2)cc1[O-] ZINC000805482235 883848783 /nfs/dbraw/zinc/84/87/83/883848783.db2.gz UYFUTNWWBAZYCC-UHFFFAOYSA-N -1 3 377.418 3.528 20 0 GHADHM O=S(=O)([N-]Cc1noc(-c2ccccc2)n1)c1cccc(Cl)c1Cl ZINC000194726152 883910333 /nfs/dbraw/zinc/91/03/33/883910333.db2.gz VDDYLRUTJHPZEC-UHFFFAOYSA-N -1 3 384.244 3.522 20 0 GHADHM O=C(Nc1ncccc1[O-])c1oc2ccccc2c1CSc1ncccn1 ZINC000194740969 883917862 /nfs/dbraw/zinc/91/78/62/883917862.db2.gz HBPWUOMOVWKVHW-UHFFFAOYSA-N -1 3 378.413 3.868 20 0 GHADHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(C)(C)C ZINC001126780158 884126183 /nfs/dbraw/zinc/12/61/83/884126183.db2.gz HOCKNADELZVJEQ-GFCCVEGCSA-N -1 3 392.240 3.635 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)n1 ZINC000064342931 884228636 /nfs/dbraw/zinc/22/86/36/884228636.db2.gz XJQZXYCGZVXXHP-UHFFFAOYSA-N -1 3 375.762 3.929 20 0 GHADHM CN(CCC[N-]C(=O)C(F)(F)F)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000860001764 884256686 /nfs/dbraw/zinc/25/66/86/884256686.db2.gz AYGJKNPXYUOBBI-UHFFFAOYSA-N -1 3 375.391 3.538 20 0 GHADHM O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000556266522 884292111 /nfs/dbraw/zinc/29/21/11/884292111.db2.gz IWCYWTFZPFUHMW-ZDUSSCGKSA-N -1 3 387.379 3.890 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccccc2F)cc(C(F)(F)F)c1 ZINC000795782644 912816523 /nfs/dbraw/zinc/81/65/23/912816523.db2.gz SOXUXXMNQDQGIU-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM COCCC(C)(C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556329049 884487726 /nfs/dbraw/zinc/48/77/26/884487726.db2.gz BLJWOJCCAJMGLB-UHFFFAOYSA-N -1 3 392.257 3.598 20 0 GHADHM Brc1cccc(-c2nc(-c3noc(C=Cc4cccnc4)n3)n[n-]2)c1 ZINC000556329953 884489871 /nfs/dbraw/zinc/48/98/71/884489871.db2.gz DZDOQTJIAYACDI-VOTSOKGWSA-N -1 3 395.220 3.850 20 0 GHADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000286630991 912835374 /nfs/dbraw/zinc/83/53/74/912835374.db2.gz SNGRIDDZVAZIAS-XCQOBOMYSA-N -1 3 383.473 3.512 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000537492108 884659920 /nfs/dbraw/zinc/65/99/20/884659920.db2.gz FHPMBQHMGFNOOT-DOTOQJQBSA-N -1 3 393.409 3.813 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000537492111 884659978 /nfs/dbraw/zinc/65/99/78/884659978.db2.gz FHPMBQHMGFNOOT-NVXWUHKLSA-N -1 3 393.409 3.813 20 0 GHADHM Cc1cc(=O)[n-]c(CNC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)n1 ZINC000898258562 884681501 /nfs/dbraw/zinc/68/15/01/884681501.db2.gz PUOKNPAEFSKJBK-UHFFFAOYSA-N -1 3 380.275 3.926 20 0 GHADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000666346601 884804934 /nfs/dbraw/zinc/80/49/34/884804934.db2.gz DJUFCLRVNRELBV-KBPBESRZSA-N -1 3 392.459 3.639 20 0 GHADHM COc1ccc(CSc2nnc(SCc3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000761862518 884895008 /nfs/dbraw/zinc/89/50/08/884895008.db2.gz WDXZZGZRRRWZGI-UHFFFAOYSA-N -1 3 392.531 3.935 20 0 GHADHM COc1cc([C@H](C)NC(=O)c2cc(SC)ccc2[O-])cc(OC)c1OC ZINC000666441756 885047037 /nfs/dbraw/zinc/04/70/37/885047037.db2.gz CFXVXFSDJHKFHF-NSHDSACASA-N -1 3 377.462 3.631 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)c(F)cc1C ZINC000556480801 885063446 /nfs/dbraw/zinc/06/34/46/885063446.db2.gz AQFVUBGJQYCFJM-UHFFFAOYSA-N -1 3 378.400 3.866 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cccs1)c1cc(Cl)ccc1C(F)(F)F ZINC000795858155 912893354 /nfs/dbraw/zinc/89/33/54/912893354.db2.gz UMNQKAPAHQCHNM-LLVKDONJSA-N -1 3 399.843 3.822 20 0 GHADHM CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc4ccsc4[n-]3)ccc21 ZINC000914890386 885115880 /nfs/dbraw/zinc/11/58/80/885115880.db2.gz DYMSEEOGEIAYGT-NSHDSACASA-N -1 3 382.441 3.567 20 0 GHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000914891436 885117614 /nfs/dbraw/zinc/11/76/14/885117614.db2.gz OQCRXSXRIVNUOU-LBPRGKRZSA-N -1 3 381.457 3.615 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2c(Br)cccc2C1 ZINC000747376953 885305304 /nfs/dbraw/zinc/30/53/04/885305304.db2.gz IGXYWUBNCUKIGY-UHFFFAOYSA-N -1 3 390.281 3.575 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000747379403 885314248 /nfs/dbraw/zinc/31/42/48/885314248.db2.gz DRLKDDOYLHYJQV-AWEZNQCLSA-N -1 3 390.281 3.794 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(Cc3ccc(C)cc3)C3CC3)n[n-]2)o1 ZINC000919326663 885336642 /nfs/dbraw/zinc/33/66/42/885336642.db2.gz AMHLXRLAGXEKMX-UHFFFAOYSA-N -1 3 393.443 3.635 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(Cc3ccc(C)cc3)C3CC3)[n-]n2)o1 ZINC000919326663 885336666 /nfs/dbraw/zinc/33/66/66/885336666.db2.gz AMHLXRLAGXEKMX-UHFFFAOYSA-N -1 3 393.443 3.635 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)n[n-]2)o1 ZINC000919327458 885341032 /nfs/dbraw/zinc/34/10/32/885341032.db2.gz ZQTKQMAQWLPJJT-CQSZACIVSA-N -1 3 379.416 3.503 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)[n-]n2)o1 ZINC000919327458 885341054 /nfs/dbraw/zinc/34/10/54/885341054.db2.gz ZQTKQMAQWLPJJT-CQSZACIVSA-N -1 3 379.416 3.503 20 0 GHADHM COc1cc(OC)c(OC)cc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666586393 885360743 /nfs/dbraw/zinc/36/07/43/885360743.db2.gz PMXAFHCTIOKTSB-UHFFFAOYSA-N -1 3 385.460 3.790 20 0 GHADHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000104366283 885394554 /nfs/dbraw/zinc/39/45/54/885394554.db2.gz AEISIJDIDZFHGL-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000104366283 885394562 /nfs/dbraw/zinc/39/45/62/885394562.db2.gz AEISIJDIDZFHGL-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000130989468 885405312 /nfs/dbraw/zinc/40/53/12/885405312.db2.gz BOLCVLCKJLGGAI-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM CC(C)(C)c1cc2cccnc2c(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000861527198 885607290 /nfs/dbraw/zinc/60/72/90/885607290.db2.gz LSTGZDZRHXANLJ-UHFFFAOYSA-N -1 3 392.385 3.991 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000118344180 885627812 /nfs/dbraw/zinc/62/78/12/885627812.db2.gz HXHJWPMJGZXFNX-UHFFFAOYSA-N -1 3 397.740 3.770 20 0 GHADHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1c[n-]c2ccccc2c1=O ZINC000108311651 885685232 /nfs/dbraw/zinc/68/52/32/885685232.db2.gz ABGOMTWBTQUPTR-UHFFFAOYSA-N -1 3 383.407 3.777 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000807812224 885735670 /nfs/dbraw/zinc/73/56/70/885735670.db2.gz YYPYRHXQYMGVJL-QFIPXVFZSA-N -1 3 388.508 3.818 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108771725 885881929 /nfs/dbraw/zinc/88/19/29/885881929.db2.gz GPTQDSNKURHJPW-ZWKOTPCHSA-N -1 3 380.469 3.954 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)ccc1-n1cccn1 ZINC000476456242 885906168 /nfs/dbraw/zinc/90/61/68/885906168.db2.gz GDBCPHDYDHTMNV-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000556707409 885961652 /nfs/dbraw/zinc/96/16/52/885961652.db2.gz DTNKCWGPVWTYMB-APWZRJJASA-N -1 3 396.487 3.661 20 0 GHADHM CC(=O)c1cccc(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000808187232 886081935 /nfs/dbraw/zinc/08/19/35/886081935.db2.gz AFFOSGZYQHOFAH-UHFFFAOYSA-N -1 3 376.453 3.571 20 0 GHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1 ZINC000117739269 886107203 /nfs/dbraw/zinc/10/72/03/886107203.db2.gz CSDNYWHPFDMLID-DEOSSOPVSA-N -1 3 381.519 3.650 20 0 GHADHM C[C@@H](C(=O)[N-]OCCC(F)(F)F)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000155063724 886174066 /nfs/dbraw/zinc/17/40/66/886174066.db2.gz YMUZNVHUPBFEED-OCCSQVGLSA-N -1 3 390.402 3.889 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000808355303 886297521 /nfs/dbraw/zinc/29/75/21/886297521.db2.gz WLOXEZXABDVROU-ZDUSSCGKSA-N -1 3 395.695 3.708 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)c(=O)[n-]1 ZINC000862583730 886472060 /nfs/dbraw/zinc/47/20/60/886472060.db2.gz ZOZGDMWHGFVWFD-UHFFFAOYSA-N -1 3 379.863 3.819 20 0 GHADHM COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(C)=O)c3[O-])n2)cc1 ZINC000556893543 886523211 /nfs/dbraw/zinc/52/32/11/886523211.db2.gz WDRYIJYVXBGULQ-UHFFFAOYSA-N -1 3 395.415 3.615 20 0 GHADHM Cc1ccc(C)c(OCCCOC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000915426457 886622828 /nfs/dbraw/zinc/62/28/28/886622828.db2.gz AMDKKXZJGYVJMH-IBGZPJMESA-N -1 3 397.471 3.626 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)c3cccc(C(F)(F)F)c3)n[n-]c21 ZINC000808672337 886666677 /nfs/dbraw/zinc/66/66/77/886666677.db2.gz KHKVGUPVFWIICO-UHFFFAOYSA-N -1 3 378.306 3.630 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)c3cccc(C(F)(F)F)c3)[n-]nc21 ZINC000808672337 886666681 /nfs/dbraw/zinc/66/66/81/886666681.db2.gz KHKVGUPVFWIICO-UHFFFAOYSA-N -1 3 378.306 3.630 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)n[n-]c21 ZINC000808675071 886672752 /nfs/dbraw/zinc/67/27/52/886672752.db2.gz VSYQVTAVFIPNHW-UHFFFAOYSA-N -1 3 395.459 3.556 20 0 GHADHM COc1cccc2c(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)[n-]nc21 ZINC000808675071 886672762 /nfs/dbraw/zinc/67/27/62/886672762.db2.gz VSYQVTAVFIPNHW-UHFFFAOYSA-N -1 3 395.459 3.556 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)N3CCC[C@H]3c3cccs3)n[n-]c21 ZINC000808675719 886675259 /nfs/dbraw/zinc/67/52/59/886675259.db2.gz QFKZPTLOWPLBOF-OCCSQVGLSA-N -1 3 399.472 3.542 20 0 GHADHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000808675719 886675272 /nfs/dbraw/zinc/67/52/72/886675272.db2.gz QFKZPTLOWPLBOF-OCCSQVGLSA-N -1 3 399.472 3.542 20 0 GHADHM O=C(NCc1ccc(F)c(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000119521952 886704439 /nfs/dbraw/zinc/70/44/39/886704439.db2.gz JQDUPXSDOXVUKA-UHFFFAOYSA-N -1 3 387.636 3.947 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000762736022 886771893 /nfs/dbraw/zinc/77/18/93/886771893.db2.gz NGNOGTCVQDVGKW-MRXNPFEDSA-N -1 3 388.895 3.930 20 0 GHADHM O=C([O-])[C@@]12CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1COCC2 ZINC000863467195 887129730 /nfs/dbraw/zinc/12/97/30/887129730.db2.gz QGIUXTIZSKGXKB-ZFWWWQNUSA-N -1 3 397.315 3.647 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459305065 887217212 /nfs/dbraw/zinc/21/72/12/887217212.db2.gz ZEWZHAQEYPPOMF-UHFFFAOYSA-N -1 3 395.290 3.827 20 0 GHADHM O=C(NC1CCCCC1)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459330456 887395774 /nfs/dbraw/zinc/39/57/74/887395774.db2.gz SYTIKTZTHXEGQT-UHFFFAOYSA-N -1 3 395.341 3.816 20 0 GHADHM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccnc3Cl)ccc2s1 ZINC000794578402 887466448 /nfs/dbraw/zinc/46/64/48/887466448.db2.gz JMHYMBHNAYSCCH-UHFFFAOYSA-N -1 3 396.877 3.927 20 0 GHADHM O=C(CCOc1ccccc1F)[N-]OCc1ccc(F)cc1Br ZINC000781124339 887620982 /nfs/dbraw/zinc/62/09/82/887620982.db2.gz ARWPYVUAIYUPPO-UHFFFAOYSA-N -1 3 386.192 3.744 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1OC ZINC000794609918 887678037 /nfs/dbraw/zinc/67/80/37/887678037.db2.gz WAQAKHRPYBQWBE-KTKRTIGZSA-N -1 3 381.837 3.548 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Br)s1)c1cccc(Cl)c1F ZINC000032411811 887700364 /nfs/dbraw/zinc/70/03/64/887700364.db2.gz JRGXBZXTUBGUSO-UHFFFAOYSA-N -1 3 398.706 3.824 20 0 GHADHM Cc1ccc(NCc2cccc([O-])c2Br)c(OCC(=O)N(C)C)c1 ZINC000459363317 887711721 /nfs/dbraw/zinc/71/17/21/887711721.db2.gz KMUUWUUBDVGOOF-UHFFFAOYSA-N -1 3 393.281 3.542 20 0 GHADHM Cn1cc(CN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c(C(=O)[O-])n1 ZINC000864781601 887998815 /nfs/dbraw/zinc/99/88/15/887998815.db2.gz KIKFQXMCTQXHQL-UHFFFAOYSA-N -1 3 398.290 3.716 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1)C(F)(F)F ZINC000810069615 888157082 /nfs/dbraw/zinc/15/70/82/888157082.db2.gz GLFFBUJLYAYZLY-ZDUSSCGKSA-N -1 3 383.439 3.701 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000055633171 888220199 /nfs/dbraw/zinc/22/01/99/888220199.db2.gz HMPBETCWMVRZSN-UHFFFAOYSA-N -1 3 393.505 3.666 20 0 GHADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1)O[C@H](C)C2 ZINC000747599907 888313261 /nfs/dbraw/zinc/31/32/61/888313261.db2.gz AXTNUTDEQUSTCM-MMQHEFTJSA-N -1 3 377.437 3.960 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000763217139 888337362 /nfs/dbraw/zinc/33/73/62/888337362.db2.gz REXNZXMFEZZZCU-CABCVRRESA-N -1 3 385.533 3.869 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123316951 888651526 /nfs/dbraw/zinc/65/15/26/888651526.db2.gz ZLLVRGBZDDPHBK-AEFFLSMTSA-N -1 3 379.378 3.511 20 0 GHADHM COc1ncc(C)cc1[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000747617052 888700667 /nfs/dbraw/zinc/70/06/67/888700667.db2.gz MKEXQZLSBOBPLB-VOTSOKGWSA-N -1 3 383.267 3.574 20 0 GHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000810647845 888745009 /nfs/dbraw/zinc/74/50/09/888745009.db2.gz PLJXLYSFCAUDKI-CQSZACIVSA-N -1 3 382.357 3.919 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1 ZINC001184513923 913284962 /nfs/dbraw/zinc/28/49/62/913284962.db2.gz IZXBKIDMRZTJAO-UHFFFAOYSA-N -1 3 378.906 3.985 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000866597275 888958692 /nfs/dbraw/zinc/95/86/92/888958692.db2.gz PSJZFLUWQCUUFT-HUUCEWRRSA-N -1 3 378.900 3.905 20 0 GHADHM Cc1cc(C)c(/C=C/C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000810904985 889013001 /nfs/dbraw/zinc/01/30/01/889013001.db2.gz MBSHREBFWVQGPW-FYCOFBDGSA-N -1 3 382.426 3.542 20 0 GHADHM Cc1nc(I)oc1C(=O)[N-]c1ccnc(Cl)c1Cl ZINC001184620688 913320944 /nfs/dbraw/zinc/32/09/44/913320944.db2.gz SIFLVDDUEGXMFI-UHFFFAOYSA-N -1 3 397.987 3.542 20 0 GHADHM O=C(OCCc1cncs1)c1n[n-]c(-c2ccccc2)c1Br ZINC000811123652 889233988 /nfs/dbraw/zinc/23/39/88/889233988.db2.gz DCHWTAVPTCKXOZ-UHFFFAOYSA-N -1 3 378.251 3.695 20 0 GHADHM CCC1(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)CCC(F)(F)CC1 ZINC001184642875 913337559 /nfs/dbraw/zinc/33/75/59/913337559.db2.gz SMKJMFQJRCCWLL-UHFFFAOYSA-N -1 3 376.407 3.774 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000542600365 889505338 /nfs/dbraw/zinc/50/53/38/889505338.db2.gz HIJFRKDVCSKSGX-SOUVJXGZSA-N -1 3 383.448 3.640 20 0 GHADHM COc1ccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1OC ZINC000811394009 889532959 /nfs/dbraw/zinc/53/29/59/889532959.db2.gz IJHKQNRAMPQOQJ-UHFFFAOYSA-N -1 3 379.821 3.940 20 0 GHADHM COC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395784 889537524 /nfs/dbraw/zinc/53/75/24/889537524.db2.gz JBXIJXMXUNZVGZ-CYBMUJFWSA-N -1 3 381.812 3.963 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)NCCc1ccc(F)cc1 ZINC000811394769 889537729 /nfs/dbraw/zinc/53/77/29/889537729.db2.gz ILZBHCGXGJRRTE-UHFFFAOYSA-N -1 3 380.828 3.538 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCOc3ccccc3O2)c([O-])c1 ZINC001184714639 913377938 /nfs/dbraw/zinc/37/79/38/913377938.db2.gz HNUPLVIFZXXPFD-SFHVURJKSA-N -1 3 385.416 3.516 20 0 GHADHM Cc1cc(C)c(NC(=S)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(Cl)c1 ZINC000811721202 889919456 /nfs/dbraw/zinc/91/94/56/889919456.db2.gz SYZDKUZLTAETDR-UHFFFAOYSA-N -1 3 390.896 3.662 20 0 GHADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)o1 ZINC000533201250 889988948 /nfs/dbraw/zinc/98/89/48/889988948.db2.gz ROPODENDNJPYRL-NSHDSACASA-N -1 3 393.852 3.863 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000811838702 890024055 /nfs/dbraw/zinc/02/40/55/890024055.db2.gz UNMYWJIKZKRLKE-UHFFFAOYSA-N -1 3 396.465 3.695 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC000125588711 890046186 /nfs/dbraw/zinc/04/61/86/890046186.db2.gz UUZQUSXXLCCTFY-UHFFFAOYSA-N -1 3 386.429 3.731 20 0 GHADHM CCCOc1cccc2c(N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)ccnc12 ZINC000811855866 890051050 /nfs/dbraw/zinc/05/10/50/890051050.db2.gz GXKKICJHIPGIKL-CQSZACIVSA-N -1 3 395.425 3.919 20 0 GHADHM CC(C)CC(CC(C)C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874014 890068342 /nfs/dbraw/zinc/06/83/42/890068342.db2.gz GDYJKDRLTYVATB-CQSZACIVSA-N -1 3 379.467 3.547 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Cl)ncc1Br ZINC000810063425 890072126 /nfs/dbraw/zinc/07/21/26/890072126.db2.gz SJAVPZZVPUHGBG-UHFFFAOYSA-N -1 3 387.568 3.620 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)C ZINC000811878758 890081826 /nfs/dbraw/zinc/08/18/26/890081826.db2.gz NNQVHBCSPOIXEZ-WBVHZDCISA-N -1 3 399.457 3.792 20 0 GHADHM CC[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000811992486 890187851 /nfs/dbraw/zinc/18/78/51/890187851.db2.gz JJFCXLZRGKKCKV-HOCLYGCPSA-N -1 3 385.430 3.546 20 0 GHADHM CN(C)C(=O)NCCc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001170656862 890229423 /nfs/dbraw/zinc/22/94/23/890229423.db2.gz WMLGJALQVQFMSN-UHFFFAOYSA-N -1 3 383.473 3.673 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000126149297 890382681 /nfs/dbraw/zinc/38/26/81/890382681.db2.gz ZWYURXBSWSAMPT-UHFFFAOYSA-N -1 3 386.242 3.982 20 0 GHADHM O=C(OC1(C2CC2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000747770815 890391210 /nfs/dbraw/zinc/39/12/10/890391210.db2.gz VJGLKUGEKLSEDL-UHFFFAOYSA-N -1 3 375.421 3.726 20 0 GHADHM CCC(=O)c1ccc(OCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126463798 890547650 /nfs/dbraw/zinc/54/76/50/890547650.db2.gz DEYPVLXUUFAZLZ-UHFFFAOYSA-N -1 3 378.222 3.765 20 0 GHADHM COc1cccc(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)c1[O-] ZINC000126592654 890604986 /nfs/dbraw/zinc/60/49/86/890604986.db2.gz AJLBBYNKPSJFFH-UHFFFAOYSA-N -1 3 380.429 3.961 20 0 GHADHM COCCCOc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126614970 890616072 /nfs/dbraw/zinc/61/60/72/890616072.db2.gz PWPGYYYOGKHXAT-UHFFFAOYSA-N -1 3 380.238 3.822 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCCOc3cccc(C)c3)nc21 ZINC000533469308 890630149 /nfs/dbraw/zinc/63/01/49/890630149.db2.gz QUXJJUVIXLRXRW-UHFFFAOYSA-N -1 3 381.432 3.846 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(Cl)c1 ZINC000066445485 890953778 /nfs/dbraw/zinc/95/37/78/890953778.db2.gz GDHHGBOUEDPOSO-INIZCTEOSA-N -1 3 377.853 3.869 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc(Br)c1 ZINC000127280877 890984998 /nfs/dbraw/zinc/98/49/98/890984998.db2.gz FKGAZBFIDSCPRW-UHFFFAOYSA-N -1 3 399.285 3.989 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000127459195 891071783 /nfs/dbraw/zinc/07/17/83/891071783.db2.gz DODSAIRARLCPJZ-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000127459195 891071794 /nfs/dbraw/zinc/07/17/94/891071794.db2.gz DODSAIRARLCPJZ-VIFPVBQESA-N -1 3 378.219 3.580 20 0 GHADHM C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169221 891194179 /nfs/dbraw/zinc/19/41/79/891194179.db2.gz KLGVOQITRXQUBX-XFHNUULXSA-N -1 3 375.856 3.704 20 0 GHADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000497356777 891200773 /nfs/dbraw/zinc/20/07/73/891200773.db2.gz BQPOBTUIWQBEJE-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000497356777 891200786 /nfs/dbraw/zinc/20/07/86/891200786.db2.gz BQPOBTUIWQBEJE-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C([N-]c1nccc(-c2ccc(F)c(F)c2)n1)c1cc(-c2ccccn2)no1 ZINC001133561552 891218828 /nfs/dbraw/zinc/21/88/28/891218828.db2.gz DVQZUAFFFOEWAJ-UHFFFAOYSA-N -1 3 379.326 3.724 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)n1 ZINC000127785883 891249487 /nfs/dbraw/zinc/24/94/87/891249487.db2.gz AOEIJYGDXQNKHA-CYBMUJFWSA-N -1 3 394.460 3.639 20 0 GHADHM CCOc1c(OC)cc(CNCc2cccc([O-])c2Br)cc1OC ZINC000459389352 891306731 /nfs/dbraw/zinc/30/67/31/891306731.db2.gz NGOUXZDTNPVOBY-UHFFFAOYSA-N -1 3 396.281 3.860 20 0 GHADHM COc1cc(CN2CCC[C@H](C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC000106117825 891322984 /nfs/dbraw/zinc/32/29/84/891322984.db2.gz DTKVPNFJLUPZKX-SFHVURJKSA-N -1 3 385.460 3.579 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000629373918 891468338 /nfs/dbraw/zinc/46/83/38/891468338.db2.gz QBPYYGDGZMLAGN-KFWWJZLASA-N -1 3 395.381 3.831 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccc(C)cc1)C1CC1 ZINC001185011675 913577505 /nfs/dbraw/zinc/57/75/05/913577505.db2.gz TUROGQIGZSTQKU-GOSISDBHSA-N -1 3 393.892 3.865 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc([C@@H](C)Cc2ccccc2)[nH]n1 ZINC001185012245 913578789 /nfs/dbraw/zinc/57/87/89/913578789.db2.gz DTFAFIWGROPVIJ-LBPRGKRZSA-N -1 3 397.406 3.640 20 0 GHADHM O=C(CCc1nc(C2CCCC2)no1)Nc1cc(Br)ccc1[O-] ZINC000161574658 891757115 /nfs/dbraw/zinc/75/71/15/891757115.db2.gz KVFXJMAFVDCDLH-UHFFFAOYSA-N -1 3 380.242 3.767 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(F)cc1F ZINC000813715178 891890848 /nfs/dbraw/zinc/89/08/48/891890848.db2.gz PDSVYZVNENRPOV-UXHICEINSA-N -1 3 389.423 3.718 20 0 GHADHM Cc1ccc(-n2nc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c3c2CCC3)cc1 ZINC000497580065 891927859 /nfs/dbraw/zinc/92/78/59/891927859.db2.gz XDAYOXRCKVNXLV-UHFFFAOYSA-N -1 3 383.455 3.734 20 0 GHADHM CCc1cnccc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825735822 892122222 /nfs/dbraw/zinc/12/22/22/892122222.db2.gz VITWXVHVYVITBT-OAHLLOKOSA-N -1 3 398.470 3.982 20 0 GHADHM CCc1cnccc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825735822 892122228 /nfs/dbraw/zinc/12/22/28/892122228.db2.gz VITWXVHVYVITBT-OAHLLOKOSA-N -1 3 398.470 3.982 20 0 GHADHM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000262549272 892295770 /nfs/dbraw/zinc/29/57/70/892295770.db2.gz SSJJYVDPSAGYIO-GOSISDBHSA-N -1 3 384.451 3.694 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC000262938228 892383214 /nfs/dbraw/zinc/38/32/14/892383214.db2.gz IPCXLPBSLKEGND-QZTJIDSGSA-N -1 3 379.378 3.961 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC000263154809 892454547 /nfs/dbraw/zinc/45/45/47/892454547.db2.gz OCJHNCASQUXERN-IQMFZBJNSA-N -1 3 393.487 3.938 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000825781729 892538387 /nfs/dbraw/zinc/53/83/87/892538387.db2.gz HFOSCENHUAIMAA-HXUWFJFHSA-N -1 3 377.843 3.699 20 0 GHADHM COC(=O)c1cc(C(=O)O[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c[n-]1 ZINC000814533203 892833507 /nfs/dbraw/zinc/83/35/07/892833507.db2.gz QEODUDIERYYMCJ-CQSZACIVSA-N -1 3 392.411 3.972 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C1CCC(F)(F)CC1 ZINC000288263311 913711048 /nfs/dbraw/zinc/71/10/48/913711048.db2.gz PMNABTMBHKXFTO-UHFFFAOYSA-N -1 3 390.434 3.522 20 0 GHADHM OC[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)Cc1ccc(Br)cc1 ZINC000428674507 893200814 /nfs/dbraw/zinc/20/08/14/893200814.db2.gz RAGMNQMLHQRKMF-SNVBAGLBSA-N -1 3 395.244 3.609 20 0 GHADHM CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(Cl)c(Cl)[n-]3)ccc21 ZINC000021730944 893241883 /nfs/dbraw/zinc/24/18/83/893241883.db2.gz FPOZKTXANYLTPD-SECBINFHSA-N -1 3 395.242 3.659 20 0 GHADHM O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cccc([O-])c1F ZINC000129339879 893256814 /nfs/dbraw/zinc/25/68/14/893256814.db2.gz SOZKEDFPWOYISU-UHFFFAOYSA-N -1 3 390.465 3.917 20 0 GHADHM CCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000069328980 893259459 /nfs/dbraw/zinc/25/94/59/893259459.db2.gz VIBGOAUUDCRECC-MRXNPFEDSA-N -1 3 382.291 3.894 20 0 GHADHM CCC(C)(C)CC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788612 893305147 /nfs/dbraw/zinc/30/51/47/893305147.db2.gz DRSVSRMEEDBYJC-UHFFFAOYSA-N -1 3 382.258 3.877 20 0 GHADHM COC(=O)c1cc2nc(NC(=O)/C=C3/CC[C@@H](C)C3)[n-]c2c(Br)c1 ZINC001134789142 893305212 /nfs/dbraw/zinc/30/52/12/893305212.db2.gz OBLRRXDZHSKLAS-WPVMNKCKSA-N -1 3 392.253 3.797 20 0 GHADHM O=c1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)nc(-c2ccccc2)[n-]1 ZINC000459513111 893671296 /nfs/dbraw/zinc/67/12/96/893671296.db2.gz OFMHWPARWPUIOK-IBGZPJMESA-N -1 3 381.501 3.904 20 0 GHADHM Cc1ccc2c(c1)OCCN2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000126584974 893681673 /nfs/dbraw/zinc/68/16/73/893681673.db2.gz MWTCWBHUMWFIHX-UHFFFAOYSA-N -1 3 379.441 3.952 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000069651456 893689938 /nfs/dbraw/zinc/68/99/38/893689938.db2.gz MAIUPKOKMYJRGA-LPHOPBHVSA-N -1 3 377.444 3.760 20 0 GHADHM [O-]c1cccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c1Br ZINC000459531749 893742627 /nfs/dbraw/zinc/74/26/27/893742627.db2.gz DFUHATAGMKPURS-UHFFFAOYSA-N -1 3 399.292 3.900 20 0 GHADHM Cc1ccc(CN(CCc2ccccc2)Cc2nc3c(c(=O)[n-]2)COCC3)s1 ZINC000877894555 893877732 /nfs/dbraw/zinc/87/77/32/893877732.db2.gz RABMPDMDZIOPRJ-UHFFFAOYSA-N -1 3 395.528 3.870 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCNC(=O)CC1 ZINC000815850206 894273111 /nfs/dbraw/zinc/27/31/11/894273111.db2.gz BTQQCABPDOJFSB-LBPRGKRZSA-N -1 3 381.457 3.524 20 0 GHADHM Cc1ccc2[nH]c([C@@H]3CCCN3Cc3nnc(-c4ccccc4[O-])o3)nc2c1 ZINC000878617584 894445393 /nfs/dbraw/zinc/44/53/93/894445393.db2.gz SEFBZEZBAABXAJ-KRWDZBQOSA-N -1 3 375.432 3.964 20 0 GHADHM O=c1[n-]c(CN(CC2CC2)c2cccc(C(F)(F)F)c2)nc2c1COCC2 ZINC000878631030 894468520 /nfs/dbraw/zinc/46/85/20/894468520.db2.gz VASLKIBKRFMMJZ-UHFFFAOYSA-N -1 3 379.382 3.690 20 0 GHADHM C[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(N2CCCCC2=O)cc1 ZINC000878633206 894470700 /nfs/dbraw/zinc/47/07/00/894470700.db2.gz MGMJTQISRRLGIK-HNNXBMFYSA-N -1 3 392.459 3.810 20 0 GHADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000935420514 894470924 /nfs/dbraw/zinc/47/09/24/894470924.db2.gz WPXDQVLHVDEBHP-SNVBAGLBSA-N -1 3 388.418 3.557 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1F ZINC000537184020 894539114 /nfs/dbraw/zinc/53/91/14/894539114.db2.gz XCHYACHUYOGMOF-XJKSGUPXSA-N -1 3 391.798 3.566 20 0 GHADHM COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000564236922 894754923 /nfs/dbraw/zinc/75/49/23/894754923.db2.gz VQHQAEDJBWTZGI-UHFFFAOYSA-N -1 3 385.416 3.604 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001135566397 894803749 /nfs/dbraw/zinc/80/37/49/894803749.db2.gz ZWJMWSJHAXGUCQ-UHFFFAOYSA-N -1 3 398.260 3.961 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)ccnc2Br)ccc1Cl ZINC001185494686 913913358 /nfs/dbraw/zinc/91/33/58/913913358.db2.gz OQQFCWNQPUQHMN-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ncc(F)cc2Br)ccc1Cl ZINC001185494418 913913670 /nfs/dbraw/zinc/91/36/70/913913670.db2.gz HOYPAVYCNWPOGF-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CC(C)Cn1ncc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1C1CC1 ZINC000935997348 894968314 /nfs/dbraw/zinc/96/83/14/894968314.db2.gz DJEFCCUGTSDWSS-UHFFFAOYSA-N -1 3 386.402 3.789 20 0 GHADHM CC(C)C[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000537456235 895024221 /nfs/dbraw/zinc/02/42/21/895024221.db2.gz STLQQTTYJZHHEK-ZIAGYGMSSA-N -1 3 385.302 3.548 20 0 GHADHM C=C=CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000816700128 895028185 /nfs/dbraw/zinc/02/81/85/895028185.db2.gz PQDOZBWRDMDIKL-UHFFFAOYSA-N -1 3 384.501 3.792 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1(Cl)Cl ZINC000817140892 895349981 /nfs/dbraw/zinc/34/99/81/895349981.db2.gz GOXLNOXRGIVUDI-GFCCVEGCSA-N -1 3 392.226 3.679 20 0 GHADHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000565111148 895391166 /nfs/dbraw/zinc/39/11/66/895391166.db2.gz IGIZHFWZJLUWAF-UHFFFAOYSA-N -1 3 397.397 3.668 20 0 GHADHM COCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826154969 895656707 /nfs/dbraw/zinc/65/67/07/895656707.db2.gz BKBVNQSLEMPWAE-HZPDHXFCSA-N -1 3 393.491 3.774 20 0 GHADHM COCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826154969 895656716 /nfs/dbraw/zinc/65/67/16/895656716.db2.gz BKBVNQSLEMPWAE-HZPDHXFCSA-N -1 3 393.491 3.774 20 0 GHADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000826161892 895687048 /nfs/dbraw/zinc/68/70/48/895687048.db2.gz DFNAKMOIBAENFD-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000826161892 895687052 /nfs/dbraw/zinc/68/70/52/895687052.db2.gz DFNAKMOIBAENFD-NSHDSACASA-N -1 3 391.834 3.858 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000826169948 895734034 /nfs/dbraw/zinc/73/40/34/895734034.db2.gz KIUOBERIWDAQKR-NRFANRHFSA-N -1 3 389.434 3.894 20 0 GHADHM CCOCCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H](C)C(=O)[O-] ZINC000565600525 895752851 /nfs/dbraw/zinc/75/28/51/895752851.db2.gz ONEUCYRCEDJCCQ-LBPRGKRZSA-N -1 3 388.295 3.590 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826174148 895774539 /nfs/dbraw/zinc/77/45/39/895774539.db2.gz KLXMSDRBWFZTSS-UHFFFAOYSA-N -1 3 384.358 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826174148 895774551 /nfs/dbraw/zinc/77/45/51/895774551.db2.gz KLXMSDRBWFZTSS-UHFFFAOYSA-N -1 3 384.358 3.540 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826178063 895808185 /nfs/dbraw/zinc/80/81/85/895808185.db2.gz INWFGZGFXUXUJX-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM COc1cc(C)ccc1Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826178063 895808200 /nfs/dbraw/zinc/80/82/00/895808200.db2.gz INWFGZGFXUXUJX-UHFFFAOYSA-N -1 3 388.431 3.983 20 0 GHADHM O=S(=O)(Cc1ccc2ccccc2c1)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000565742417 895844546 /nfs/dbraw/zinc/84/45/46/895844546.db2.gz BLWDSGINNUDBME-UHFFFAOYSA-N -1 3 397.431 3.649 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c(C(=O)OCC)[n-]1 ZINC000565856604 895935712 /nfs/dbraw/zinc/93/57/12/895935712.db2.gz QZNNWNOPOJTEQR-UHFFFAOYSA-N -1 3 396.447 3.744 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1[O-] ZINC001136036577 895937089 /nfs/dbraw/zinc/93/70/89/895937089.db2.gz NHZHECFCRQXWJY-SFHVURJKSA-N -1 3 383.835 3.501 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(N)cc1[O-] ZINC000817914102 895961087 /nfs/dbraw/zinc/96/10/87/895961087.db2.gz WLANTDBELJESRI-ZIAGYGMSSA-N -1 3 381.476 3.653 20 0 GHADHM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(N)cc1[O-] ZINC000817927811 895963835 /nfs/dbraw/zinc/96/38/35/895963835.db2.gz MXDWNFKALUOGEQ-UHFFFAOYSA-N -1 3 396.466 3.989 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000566616655 896425639 /nfs/dbraw/zinc/42/56/39/896425639.db2.gz BAZRCGJPJKCGPW-LSDHHAIUSA-N -1 3 382.439 3.933 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001185772248 914073524 /nfs/dbraw/zinc/07/35/24/914073524.db2.gz YBVXJECNMLHMCO-VIFPVBQESA-N -1 3 396.793 3.802 20 0 GHADHM CSc1c(F)cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1F ZINC000826229489 896553264 /nfs/dbraw/zinc/55/32/64/896553264.db2.gz GMSZZBUDEBLHNO-UHFFFAOYSA-N -1 3 378.433 3.676 20 0 GHADHM CSc1c(F)cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1F ZINC000826229489 896553272 /nfs/dbraw/zinc/55/32/72/896553272.db2.gz GMSZZBUDEBLHNO-UHFFFAOYSA-N -1 3 378.433 3.676 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)[n-]1 ZINC001185779752 914077546 /nfs/dbraw/zinc/07/75/46/914077546.db2.gz FREGHZYPJUNARU-UHFFFAOYSA-N -1 3 383.379 3.699 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)c[n-]1 ZINC001185779752 914077560 /nfs/dbraw/zinc/07/75/60/914077560.db2.gz FREGHZYPJUNARU-UHFFFAOYSA-N -1 3 383.379 3.699 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccccc1 ZINC000826231952 896563769 /nfs/dbraw/zinc/56/37/69/896563769.db2.gz ULUNBGUWCSBPGN-GFCCVEGCSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccccc1 ZINC000826231952 896563780 /nfs/dbraw/zinc/56/37/80/896563780.db2.gz ULUNBGUWCSBPGN-GFCCVEGCSA-N -1 3 376.445 3.732 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cccc1-c1nnn[n-]1 ZINC000826241647 896594620 /nfs/dbraw/zinc/59/46/20/896594620.db2.gz KAKWXVWZCKFWOT-MRXNPFEDSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1c(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cccc1-c1nn[n-]n1 ZINC000826241647 896594630 /nfs/dbraw/zinc/59/46/30/896594630.db2.gz KAKWXVWZCKFWOT-MRXNPFEDSA-N -1 3 398.854 3.864 20 0 GHADHM Cc1c(NC(=S)Nc2cccc(OC(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000826242469 896595981 /nfs/dbraw/zinc/59/59/81/896595981.db2.gz QDAVADAYFCFKHS-UHFFFAOYSA-N -1 3 394.382 3.883 20 0 GHADHM Cc1c(NC(=S)Nc2cccc(OC(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000826242469 896595999 /nfs/dbraw/zinc/59/59/99/896595999.db2.gz QDAVADAYFCFKHS-UHFFFAOYSA-N -1 3 394.382 3.883 20 0 GHADHM Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc4c(cc3[O-])OCO4)cn2)c1 ZINC001136228157 896753903 /nfs/dbraw/zinc/75/39/03/896753903.db2.gz DOEKDHGCBYTADT-UHFFFAOYSA-N -1 3 392.411 3.855 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1OCC(F)(F)F ZINC000826270877 896839600 /nfs/dbraw/zinc/83/96/00/896839600.db2.gz SACHSVJBAFIVQF-UHFFFAOYSA-N -1 3 391.353 3.677 20 0 GHADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1OCC(F)(F)F ZINC000826270877 896839608 /nfs/dbraw/zinc/83/96/08/896839608.db2.gz SACHSVJBAFIVQF-UHFFFAOYSA-N -1 3 391.353 3.677 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)ncc3Cl)cc2)n1 ZINC000129811692 896892567 /nfs/dbraw/zinc/89/25/67/896892567.db2.gz LUXVLDRNOOXRHT-UHFFFAOYSA-N -1 3 375.215 3.699 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(Br)c1 ZINC000567196363 896958691 /nfs/dbraw/zinc/95/86/91/896958691.db2.gz FZSVWVCUQPIYEJ-UHFFFAOYSA-N -1 3 377.210 3.891 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCCc2ccc(C(F)(F)F)cc2)c1 ZINC000820117821 897171619 /nfs/dbraw/zinc/17/16/19/897171619.db2.gz FTTFQNZTGRHJLC-AREMUKBSSA-N -1 3 386.391 3.608 20 0 GHADHM CC(C)c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000820192545 897226363 /nfs/dbraw/zinc/22/63/63/897226363.db2.gz SQUPDCCRKALLHV-UHFFFAOYSA-N -1 3 392.507 3.563 20 0 GHADHM CC(C)c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000820192545 897226376 /nfs/dbraw/zinc/22/63/76/897226376.db2.gz SQUPDCCRKALLHV-UHFFFAOYSA-N -1 3 392.507 3.563 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342861 897280951 /nfs/dbraw/zinc/28/09/51/897280951.db2.gz XFOBZHCWWPRUID-CKFHNAJUSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342861 897280962 /nfs/dbraw/zinc/28/09/62/897280962.db2.gz XFOBZHCWWPRUID-CKFHNAJUSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342862 897281264 /nfs/dbraw/zinc/28/12/64/897281264.db2.gz XFOBZHCWWPRUID-NJSLBKSFSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342862 897281280 /nfs/dbraw/zinc/28/12/80/897281280.db2.gz XFOBZHCWWPRUID-NJSLBKSFSA-N -1 3 394.454 3.860 20 0 GHADHM O=C(/C=C/c1ccc(I)o1)Nc1c([O-])cccc1Cl ZINC000820510530 897362742 /nfs/dbraw/zinc/36/27/42/897362742.db2.gz PKXJVDNWHNXHMC-FNORWQNLSA-N -1 3 389.576 3.895 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2ccc(Br)s2)c1-c1nnn[n-]1 ZINC000826310966 897464068 /nfs/dbraw/zinc/46/40/68/897464068.db2.gz OVFHTJFWRVJNJP-SNVBAGLBSA-N -1 3 391.298 3.736 20 0 GHADHM Cc1ccnc(N2CCC[C@@H]2c2ccc(Br)s2)c1-c1nn[n-]n1 ZINC000826310966 897464076 /nfs/dbraw/zinc/46/40/76/897464076.db2.gz OVFHTJFWRVJNJP-SNVBAGLBSA-N -1 3 391.298 3.736 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(Cl)c1Cl ZINC000568028570 897543603 /nfs/dbraw/zinc/54/36/03/897543603.db2.gz OPWYGFOIBCXRLP-OCCSQVGLSA-N -1 3 387.288 3.587 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000820794039 897554139 /nfs/dbraw/zinc/55/41/39/897554139.db2.gz NRJNDRBZQGYHOH-PBHICJAKSA-N -1 3 388.514 3.601 20 0 GHADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1cnc(-c2ccccc2)nc1 ZINC000820798799 897558782 /nfs/dbraw/zinc/55/87/82/897558782.db2.gz KVRFZNZGPGVSGY-UHFFFAOYSA-N -1 3 381.244 3.646 20 0 GHADHM CCn1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1C ZINC000820878955 897604807 /nfs/dbraw/zinc/60/48/07/897604807.db2.gz MQBQUTPYJWANPD-UHFFFAOYSA-N -1 3 389.883 3.666 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000826322582 897608630 /nfs/dbraw/zinc/60/86/30/897608630.db2.gz SMNQNZTYRYFGKW-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000826322582 897608640 /nfs/dbraw/zinc/60/86/40/897608640.db2.gz SMNQNZTYRYFGKW-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])NC1(c2ccccn2)CC1 ZINC001185937436 914179222 /nfs/dbraw/zinc/17/92/22/914179222.db2.gz SBEKOWPPCHYBFI-UHFFFAOYSA-N -1 3 395.503 3.663 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)ccc1C ZINC000132264521 897738358 /nfs/dbraw/zinc/73/83/58/897738358.db2.gz AKMVRWUUDADXEI-UHFFFAOYSA-N -1 3 393.484 3.738 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(Cl)s1 ZINC000821304299 897833092 /nfs/dbraw/zinc/83/30/92/897833092.db2.gz FQTVIZLEHKGWOR-UHFFFAOYSA-N -1 3 376.873 3.585 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc(C(=O)OC(C)(C)C)c1 ZINC001275483345 914207976 /nfs/dbraw/zinc/20/79/76/914207976.db2.gz LFKJSTUCTQXJTE-UHFFFAOYSA-N -1 3 397.410 3.522 20 0 GHADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)nn1C1CCCCC1 ZINC000826349922 897918923 /nfs/dbraw/zinc/91/89/23/897918923.db2.gz ZONCPGYESKKGAU-UHFFFAOYSA-N -1 3 385.497 3.807 20 0 GHADHM Cc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)nn1C1CCCCC1 ZINC000826349922 897918930 /nfs/dbraw/zinc/91/89/30/897918930.db2.gz ZONCPGYESKKGAU-UHFFFAOYSA-N -1 3 385.497 3.807 20 0 GHADHM Clc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)o1 ZINC000826351931 897975664 /nfs/dbraw/zinc/97/56/64/897975664.db2.gz HIVMJXNOZHVAPX-UHFFFAOYSA-N -1 3 376.207 3.564 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc(C(=O)OC(C)(C)C)c1 ZINC001275483345 914207964 /nfs/dbraw/zinc/20/79/64/914207964.db2.gz LFKJSTUCTQXJTE-UHFFFAOYSA-N -1 3 397.410 3.522 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821608578 897982818 /nfs/dbraw/zinc/98/28/18/897982818.db2.gz MVEHUBUDGMXKQG-UHFFFAOYSA-N -1 3 393.472 3.505 20 0 GHADHM CN(Cc1cc2ccccc2o1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821608578 897982840 /nfs/dbraw/zinc/98/28/40/897982840.db2.gz MVEHUBUDGMXKQG-UHFFFAOYSA-N -1 3 393.472 3.505 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])N1CC2(C1)CC(F)(F)C2 ZINC001185929473 914209385 /nfs/dbraw/zinc/20/93/85/914209385.db2.gz GFZZQNVPQSZCMQ-UHFFFAOYSA-N -1 3 394.462 3.720 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1cc2nccnc2cc1F ZINC001273513028 914214281 /nfs/dbraw/zinc/21/42/81/914214281.db2.gz AISSCASJSOKRDK-UHFFFAOYSA-N -1 3 396.403 3.726 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000102889333 898045678 /nfs/dbraw/zinc/04/56/78/898045678.db2.gz JSUQRDJTLFFDMK-UHFFFAOYSA-N -1 3 398.776 3.591 20 0 GHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000102889333 898045690 /nfs/dbraw/zinc/04/56/90/898045690.db2.gz JSUQRDJTLFFDMK-UHFFFAOYSA-N -1 3 398.776 3.591 20 0 GHADHM O=S(=O)([N-]c1cc(OC(F)(F)F)c(F)cc1F)c1ccc2n[nH]cc2c1 ZINC001185991521 914219559 /nfs/dbraw/zinc/21/95/59/914219559.db2.gz SZUKUWOBOGBLQP-UHFFFAOYSA-N -1 3 393.293 3.541 20 0 GHADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821824553 898107683 /nfs/dbraw/zinc/10/76/83/898107683.db2.gz MXTYVHVBUSBZKT-OAHLLOKOSA-N -1 3 375.860 3.999 20 0 GHADHM COc1ccc(Cl)cc1[C@@H](CC(C)C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821824553 898107685 /nfs/dbraw/zinc/10/76/85/898107685.db2.gz MXTYVHVBUSBZKT-OAHLLOKOSA-N -1 3 375.860 3.999 20 0 GHADHM Cc1c(NC(=O)c2cc3cc(Br)ccc3[nH]2)cccc1-c1nnn[n-]1 ZINC000822110137 898225962 /nfs/dbraw/zinc/22/59/62/898225962.db2.gz WZBUBZAZSKEBHM-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM Cc1c(NC(=O)c2cc3cc(Br)ccc3[nH]2)cccc1-c1nn[n-]n1 ZINC000822110137 898225981 /nfs/dbraw/zinc/22/59/81/898225981.db2.gz WZBUBZAZSKEBHM-UHFFFAOYSA-N -1 3 397.236 3.671 20 0 GHADHM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509517506 898363732 /nfs/dbraw/zinc/36/37/32/898363732.db2.gz BJKGMPLXYDCYSH-CYBMUJFWSA-N -1 3 398.475 3.891 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000569274568 898495493 /nfs/dbraw/zinc/49/54/93/898495493.db2.gz LJBLRFAWGAITCE-NEPJUHHUSA-N -1 3 399.406 3.596 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822974392 898768538 /nfs/dbraw/zinc/76/85/38/898768538.db2.gz KICYZTJTPMIACQ-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822974392 898768550 /nfs/dbraw/zinc/76/85/50/898768550.db2.gz KICYZTJTPMIACQ-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1[n-]cnc1C(F)(F)F ZINC000823008939 898793474 /nfs/dbraw/zinc/79/34/74/898793474.db2.gz PQQAQKRYZIJOEG-UHFFFAOYSA-N -1 3 375.354 3.881 20 0 GHADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1nc[n-]c1C(F)(F)F ZINC000823008939 898793480 /nfs/dbraw/zinc/79/34/80/898793480.db2.gz PQQAQKRYZIJOEG-UHFFFAOYSA-N -1 3 375.354 3.881 20 0 GHADHM CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1ncccc1[O-] ZINC000569658218 898857731 /nfs/dbraw/zinc/85/77/31/898857731.db2.gz HXTLUYQBGYXCSA-UHFFFAOYSA-N -1 3 385.489 3.605 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)c1 ZINC000112266847 898863069 /nfs/dbraw/zinc/86/30/69/898863069.db2.gz XWJYUINIBDPRAX-UHFFFAOYSA-N -1 3 395.546 3.818 20 0 GHADHM C[C@H]([N-]C(=O)c1ncc(C(F)(F)F)cc1Cl)c1nc(C(F)(F)F)no1 ZINC000823181131 898872269 /nfs/dbraw/zinc/87/22/69/898872269.db2.gz JGNZPJYXUNEJKP-BYPYZUCNSA-N -1 3 388.655 3.647 20 0 GHADHM C[C@@]12CN([C@@H](C(=O)[O-])c3ccc(Br)cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000569943142 899034629 /nfs/dbraw/zinc/03/46/29/899034629.db2.gz UZNYRVMMAYTWRP-KWNIAOKPSA-N -1 3 380.257 3.858 20 0 GHADHM C[C@H](NC(=O)c1cc(Cl)sc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202068 914319136 /nfs/dbraw/zinc/31/91/36/914319136.db2.gz FTQQXGSSEYMERY-YUMQZZPRSA-N -1 3 388.276 3.549 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000331883733 899241508 /nfs/dbraw/zinc/24/15/08/899241508.db2.gz QFKBJGFCICKUSA-UHFFFAOYSA-N -1 3 387.793 3.566 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)ccc1OC(C)C ZINC000116711994 899304984 /nfs/dbraw/zinc/30/49/84/899304984.db2.gz COMRJXCWGAGFGE-VWLOTQADSA-N -1 3 395.546 3.770 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC001136799529 899325728 /nfs/dbraw/zinc/32/57/28/899325728.db2.gz SUMXTMQTLMNAKU-XJKCOSOUSA-N -1 3 395.459 3.547 20 0 GHADHM CC(C)(C)Cc1csc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824094377 899372626 /nfs/dbraw/zinc/37/26/26/899372626.db2.gz SAOMVQZMGPYOBA-UHFFFAOYSA-N -1 3 388.522 3.643 20 0 GHADHM CC(C)(C)Cc1csc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824094377 899372639 /nfs/dbraw/zinc/37/26/39/899372639.db2.gz SAOMVQZMGPYOBA-UHFFFAOYSA-N -1 3 388.522 3.643 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000570547741 899377198 /nfs/dbraw/zinc/37/71/98/899377198.db2.gz LUWXBIWKAHLMFI-UHFFFAOYSA-N -1 3 399.878 3.809 20 0 GHADHM COc1cccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1[O-] ZINC001136815935 899379008 /nfs/dbraw/zinc/37/90/08/899379008.db2.gz KIYXKTOEGUOKHS-UHFFFAOYSA-N -1 3 376.840 3.787 20 0 GHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)CCO1 ZINC000824243416 899489397 /nfs/dbraw/zinc/48/93/97/899489397.db2.gz FUUCWJUAEAHNIN-OLZOCXBDSA-N -1 3 380.290 3.635 20 0 GHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)CCO1 ZINC000824243416 899489406 /nfs/dbraw/zinc/48/94/06/899489406.db2.gz FUUCWJUAEAHNIN-OLZOCXBDSA-N -1 3 380.290 3.635 20 0 GHADHM C[C@@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000570682961 899504145 /nfs/dbraw/zinc/50/41/45/899504145.db2.gz VHWRTDUQWRDMDE-MNEFBYGVSA-N -1 3 377.444 3.869 20 0 GHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc([C@H]2COc3ccccc3O2)no1 ZINC000570764674 899570256 /nfs/dbraw/zinc/57/02/56/899570256.db2.gz PXHDYJHBPCSHRF-CQSZACIVSA-N -1 3 375.743 3.627 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471278 899616531 /nfs/dbraw/zinc/61/65/31/899616531.db2.gz PXDWISKKAGDCQH-VXGBXAGGSA-N -1 3 389.381 3.909 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471278 899616538 /nfs/dbraw/zinc/61/65/38/899616538.db2.gz PXDWISKKAGDCQH-VXGBXAGGSA-N -1 3 389.381 3.909 20 0 GHADHM C[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824478288 899621033 /nfs/dbraw/zinc/62/10/33/899621033.db2.gz GICXAQGJPIGCOD-QRWLVFNGSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824478288 899621042 /nfs/dbraw/zinc/62/10/42/899621042.db2.gz GICXAQGJPIGCOD-QRWLVFNGSA-N -1 3 391.475 3.670 20 0 GHADHM C[C@@H](NC(=O)CCc1ccco1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479628 899625543 /nfs/dbraw/zinc/62/55/43/899625543.db2.gz PAMWYXWNGIEZOH-OAHLLOKOSA-N -1 3 387.443 3.937 20 0 GHADHM C[C@@H](NC(=O)CCc1ccco1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479628 899625550 /nfs/dbraw/zinc/62/55/50/899625550.db2.gz PAMWYXWNGIEZOH-OAHLLOKOSA-N -1 3 387.443 3.937 20 0 GHADHM CCc1nc(=N)n(C(=O)c2ccc([O-])cc2C)c(N)c1-c1ccc(Cl)cc1 ZINC001186174407 914366442 /nfs/dbraw/zinc/36/64/42/914366442.db2.gz WHRWIMGRCCJZNV-UHFFFAOYSA-N -1 3 382.851 3.530 20 0 GHADHM C[C@@H](NCc1nnsc1Cl)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824633426 899728544 /nfs/dbraw/zinc/72/85/44/899728544.db2.gz NDPUYVBORYYFIL-LLVKDONJSA-N -1 3 397.895 3.889 20 0 GHADHM C[C@@H](NCc1nnsc1Cl)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824633426 899728550 /nfs/dbraw/zinc/72/85/50/899728550.db2.gz NDPUYVBORYYFIL-LLVKDONJSA-N -1 3 397.895 3.889 20 0 GHADHM C[C@@H](NCc1ncc(Cl)n1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824635196 899730812 /nfs/dbraw/zinc/73/08/12/899730812.db2.gz ZMGKBYINBYLSPD-CYBMUJFWSA-N -1 3 393.882 3.771 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826404311 899833262 /nfs/dbraw/zinc/83/32/62/899833262.db2.gz VYDWSDPMJRBCFD-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM O=C(CC1=CCCCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826404311 899833271 /nfs/dbraw/zinc/83/32/71/899833271.db2.gz VYDWSDPMJRBCFD-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826403859 899839238 /nfs/dbraw/zinc/83/92/38/899839238.db2.gz GGOKOXXEKCNKAM-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826403859 899839247 /nfs/dbraw/zinc/83/92/47/899839247.db2.gz GGOKOXXEKCNKAM-UHFFFAOYSA-N -1 3 386.349 3.808 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001136954056 899839409 /nfs/dbraw/zinc/83/94/09/899839409.db2.gz GUXOINLORVXJCO-ZDUSSCGKSA-N -1 3 382.847 3.820 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824907279 899872530 /nfs/dbraw/zinc/87/25/30/899872530.db2.gz HUIRBBSMHCXZJL-RHSMWYFYSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824907279 899872540 /nfs/dbraw/zinc/87/25/40/899872540.db2.gz HUIRBBSMHCXZJL-RHSMWYFYSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCCC[C@H]21 ZINC000824974824 899922187 /nfs/dbraw/zinc/92/21/87/899922187.db2.gz GHOCWYOOZCZMLU-IFUGULHKSA-N -1 3 394.401 3.928 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]2CCCC[C@H]21 ZINC000824974824 899922197 /nfs/dbraw/zinc/92/21/97/899922197.db2.gz GHOCWYOOZCZMLU-IFUGULHKSA-N -1 3 394.401 3.928 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1nc(C2CCCCC2)no1 ZINC000333068194 899935000 /nfs/dbraw/zinc/93/50/00/899935000.db2.gz CBCKDRBULAZJCP-ZDUSSCGKSA-N -1 3 386.477 3.705 20 0 GHADHM CO[C@H](CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccc(F)cc1 ZINC001136982304 899955141 /nfs/dbraw/zinc/95/51/41/899955141.db2.gz KHEFUIJYEZKEKF-CYBMUJFWSA-N -1 3 395.456 3.747 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000825081629 899967858 /nfs/dbraw/zinc/96/78/58/899967858.db2.gz KVIWDUZACLEXJH-AWEZNQCLSA-N -1 3 396.499 3.785 20 0 GHADHM CC[C@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000825081629 899967865 /nfs/dbraw/zinc/96/78/65/899967865.db2.gz KVIWDUZACLEXJH-AWEZNQCLSA-N -1 3 396.499 3.785 20 0 GHADHM CC[C@@H](NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000825139365 900002306 /nfs/dbraw/zinc/00/23/06/900002306.db2.gz FHVITOIAGRVCFD-GFCCVEGCSA-N -1 3 393.929 3.524 20 0 GHADHM CC[C@@H](NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000825139365 900002317 /nfs/dbraw/zinc/00/23/17/900002317.db2.gz FHVITOIAGRVCFD-GFCCVEGCSA-N -1 3 393.929 3.524 20 0 GHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000571962526 900021298 /nfs/dbraw/zinc/02/12/98/900021298.db2.gz VZTFLIOWGNZQSZ-OAHLLOKOSA-N -1 3 376.526 3.992 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c([O-])c2O1 ZINC000333225377 900049033 /nfs/dbraw/zinc/04/90/33/900049033.db2.gz FRJGKJOFFZHLHR-UHFFFAOYSA-N -1 3 395.459 3.986 20 0 GHADHM O=C(C=CSc1cc(F)ccc1F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305202 900080731 /nfs/dbraw/zinc/08/07/31/900080731.db2.gz UXANTWVBCNGVNE-VOTSOKGWSA-N -1 3 377.416 3.650 20 0 GHADHM CCN(C(=O)c1ccnc2ccccc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825386113 900138317 /nfs/dbraw/zinc/13/83/17/900138317.db2.gz XXNQSWAVUCQHDU-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM CCN(C(=O)c1ccnc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825386113 900138324 /nfs/dbraw/zinc/13/83/24/900138324.db2.gz XXNQSWAVUCQHDU-UHFFFAOYSA-N -1 3 378.823 3.735 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000826422803 900248276 /nfs/dbraw/zinc/24/82/76/900248276.db2.gz MSTXBKJDFUHZNY-RXQFDZFGSA-N -1 3 393.516 3.955 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000826422803 900248279 /nfs/dbraw/zinc/24/82/79/900248279.db2.gz MSTXBKJDFUHZNY-RXQFDZFGSA-N -1 3 393.516 3.955 20 0 GHADHM CCCCc1ncc(CN2C[C@@H](CO)CC[C@@H]2C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143749097 900475085 /nfs/dbraw/zinc/47/50/85/900475085.db2.gz ZPCHRYRHWWUIMI-HKUYNNGSSA-N -1 3 399.535 3.565 20 0 GHADHM CCn1c(CCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)nc2ccccc21 ZINC001143780917 900525126 /nfs/dbraw/zinc/52/51/26/900525126.db2.gz FIUXUDYRYUJJOS-UHFFFAOYSA-N -1 3 394.862 3.524 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826452102 900608229 /nfs/dbraw/zinc/60/82/29/900608229.db2.gz HSCKSYDUXQMITN-AWEZNQCLSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826452102 900608233 /nfs/dbraw/zinc/60/82/33/900608233.db2.gz HSCKSYDUXQMITN-AWEZNQCLSA-N -1 3 380.427 3.807 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)[C@H]1CCc2c1cccc2Cl ZINC000826460970 900677303 /nfs/dbraw/zinc/67/73/03/900677303.db2.gz ZVBBSMNXSWUWKQ-NSHDSACASA-N -1 3 385.880 3.739 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)[C@H]1CCc2c1cccc2Cl ZINC000826460970 900677311 /nfs/dbraw/zinc/67/73/11/900677311.db2.gz ZVBBSMNXSWUWKQ-NSHDSACASA-N -1 3 385.880 3.739 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCCS1 ZINC000826468448 900694613 /nfs/dbraw/zinc/69/46/13/900694613.db2.gz QMOXGGBMHHQYOW-QGZVFWFLSA-N -1 3 382.445 3.850 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCCS1 ZINC000826468448 900694629 /nfs/dbraw/zinc/69/46/29/900694629.db2.gz QMOXGGBMHHQYOW-QGZVFWFLSA-N -1 3 382.445 3.850 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)[n-]n1 ZINC000574158794 900797078 /nfs/dbraw/zinc/79/70/78/900797078.db2.gz QFFVDAAVPFWKGZ-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)n[n-]1 ZINC000574158794 900797088 /nfs/dbraw/zinc/79/70/88/900797088.db2.gz QFFVDAAVPFWKGZ-UHFFFAOYSA-N -1 3 388.427 3.842 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2csc3ccccc23)C1)C(F)(F)F ZINC000290013820 914480710 /nfs/dbraw/zinc/48/07/10/914480710.db2.gz DWRXXVMQVYBSQA-NSHDSACASA-N -1 3 385.411 3.824 20 0 GHADHM CCOC(=O)CCN(Cc1cccnc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000158021793 900959857 /nfs/dbraw/zinc/95/98/57/900959857.db2.gz BHEGMRABDSXKCL-UHFFFAOYSA-N -1 3 390.867 3.599 20 0 GHADHM CC1CCN(c2nnc(SCc3ncccc3[O-])n2Cc2ccco2)CC1 ZINC000574711045 900975441 /nfs/dbraw/zinc/97/54/41/900975441.db2.gz GEOKTJKZBFOFKQ-UHFFFAOYSA-N -1 3 385.493 3.549 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)cc1F ZINC000886399103 900978115 /nfs/dbraw/zinc/97/81/15/900978115.db2.gz GDJWOQVSUKECRE-UHFFFAOYSA-N -1 3 390.480 3.733 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCCC(=O)N3)c2)cc1 ZINC000886485861 901068435 /nfs/dbraw/zinc/06/84/35/901068435.db2.gz FZCOMWAHSCRPAL-IBGZPJMESA-N -1 3 388.489 3.616 20 0 GHADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(F)c3)cc2)CCO1 ZINC000844653658 901114030 /nfs/dbraw/zinc/11/40/30/901114030.db2.gz CRMWMEDNPKQTGS-GFCCVEGCSA-N -1 3 384.860 3.505 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000121943795 901706070 /nfs/dbraw/zinc/70/60/70/901706070.db2.gz SMWNVLBBNVZPFV-NSHDSACASA-N -1 3 382.291 3.846 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1 ZINC000122830253 901857872 /nfs/dbraw/zinc/85/78/72/901857872.db2.gz PQPXLIPUPLPOGN-QVKFZJNVSA-N -1 3 382.460 3.570 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC(C)(CC(C)C)CC3)nc(=O)c2c1C ZINC000576379868 901984433 /nfs/dbraw/zinc/98/44/33/901984433.db2.gz MWFVWTZWNYGWGD-UHFFFAOYSA-N -1 3 391.537 3.728 20 0 GHADHM CCCCNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000047464377 902036555 /nfs/dbraw/zinc/03/65/55/902036555.db2.gz YEZVAPDJBCRBCB-LLVKDONJSA-N -1 3 395.352 3.990 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000576728552 902221111 /nfs/dbraw/zinc/22/11/11/902221111.db2.gz MQFMMMDCMOVWIN-QMMMGPOBSA-N -1 3 394.415 3.829 20 0 GHADHM CC(C)(C)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc(C(C)(C)C)c1O ZINC001144520290 902297825 /nfs/dbraw/zinc/29/78/25/902297825.db2.gz ZOHXVWZBOFEXKQ-UHFFFAOYSA-N -1 3 389.521 3.702 20 0 GHADHM CCc1cnc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000126327552 902310439 /nfs/dbraw/zinc/31/04/39/902310439.db2.gz JQFPBCGKGUKHHU-UHFFFAOYSA-N -1 3 384.299 3.515 20 0 GHADHM CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(Cc3c(F)cc([O-])cc3F)C1)C2 ZINC001144559551 902375063 /nfs/dbraw/zinc/37/50/63/902375063.db2.gz NSMMYVGJDFOERN-IVZQSRNASA-N -1 3 387.426 3.766 20 0 GHADHM O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000042055597 902511696 /nfs/dbraw/zinc/51/16/96/902511696.db2.gz LIDMMICPLGQJRR-NRFANRHFSA-N -1 3 398.466 3.580 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@]1(F)Cl ZINC000845979027 902561197 /nfs/dbraw/zinc/56/11/97/902561197.db2.gz GGYKOOIWESFRMU-VXGBXAGGSA-N -1 3 377.762 3.828 20 0 GHADHM O=C([O-])c1ccsc1CN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001144679891 902621539 /nfs/dbraw/zinc/62/15/39/902621539.db2.gz HHNBFYFWTIWHMC-UHFFFAOYSA-N -1 3 377.849 3.761 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N(C)Cc1ccccc1 ZINC000600771147 902890912 /nfs/dbraw/zinc/89/09/12/902890912.db2.gz ZYWBAHRHFIRFHZ-ZDUSSCGKSA-N -1 3 387.332 3.792 20 0 GHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccccc1 ZINC001186666731 914687486 /nfs/dbraw/zinc/68/74/86/914687486.db2.gz QBMYIQMMYCWOOL-QFIPXVFZSA-N -1 3 395.480 3.720 20 0 GHADHM O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)Nc1ncccc1[O-] ZINC000600931504 903124458 /nfs/dbraw/zinc/12/44/58/903124458.db2.gz CHCKRSXJCQFNGM-UHFFFAOYSA-N -1 3 394.378 3.723 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2ccc(C)cc2C)ccc1F ZINC001144953398 903263822 /nfs/dbraw/zinc/26/38/22/903263822.db2.gz FJPJDCOVXHQRKV-UHFFFAOYSA-N -1 3 392.496 3.653 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1cccc2cnccc21 ZINC000264669325 903299174 /nfs/dbraw/zinc/29/91/74/903299174.db2.gz VYESVZCUQGQBPH-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM COc1ccc(-c2ocnc2C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)cc1 ZINC000577902230 903325320 /nfs/dbraw/zinc/32/53/20/903325320.db2.gz GUIMLEGDGGPCNN-UHFFFAOYSA-N -1 3 379.347 3.819 20 0 GHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000133094689 903345941 /nfs/dbraw/zinc/34/59/41/903345941.db2.gz ZAZZCVWXFNZHBC-SECBINFHSA-N -1 3 378.841 3.525 20 0 GHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000133094689 903345952 /nfs/dbraw/zinc/34/59/52/903345952.db2.gz ZAZZCVWXFNZHBC-SECBINFHSA-N -1 3 378.841 3.525 20 0 GHADHM CC(C)(C)OC(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)Nc1ccc(F)c([O-])c1)C(F)(F)C2 ZINC001146465759 903538073 /nfs/dbraw/zinc/53/80/73/903538073.db2.gz IGRDACHWQTUUCK-MJVIPROJSA-N -1 3 386.370 3.503 20 0 GHADHM Cc1c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c2ccccc2n1C ZINC000578251704 903652925 /nfs/dbraw/zinc/65/29/25/903652925.db2.gz LPJDQNJPPWVRGE-UHFFFAOYSA-N -1 3 392.864 3.712 20 0 GHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001147050458 903675851 /nfs/dbraw/zinc/67/58/51/903675851.db2.gz LHNMCLVIOULOFD-NWDGAFQWSA-N -1 3 377.282 3.941 20 0 GHADHM CC[C@@H](CNC(=O)c1cccc2n[n-]nc21)Cc1cccc(Br)c1 ZINC001147271159 903751443 /nfs/dbraw/zinc/75/14/43/903751443.db2.gz UXJLLLIRHHJUBW-GFCCVEGCSA-N -1 3 387.281 3.719 20 0 GHADHM COc1cc(C(=O)N(C)Cc2cc(Br)cs2)cc(OC)c1[O-] ZINC000136253095 903770282 /nfs/dbraw/zinc/77/02/82/903770282.db2.gz KNRKDTVPOHUQGK-UHFFFAOYSA-N -1 3 386.267 3.506 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001147577995 903826886 /nfs/dbraw/zinc/82/68/86/903826886.db2.gz FISGFSLJVVAEDZ-UHFFFAOYSA-N -1 3 397.818 3.699 20 0 GHADHM NC(=O)c1nccnc1C(=O)[N-]c1csc(C(F)(F)F)c1-c1ccccc1 ZINC001147748118 903870800 /nfs/dbraw/zinc/87/08/00/903870800.db2.gz VJUFBBOHKYOQHS-UHFFFAOYSA-N -1 3 392.362 3.575 20 0 GHADHM CS(=O)(=O)c1cccc([C@H](NCc2ccc([O-])c(F)c2)c2ccccc2)c1 ZINC000779074195 903913894 /nfs/dbraw/zinc/91/38/94/903913894.db2.gz ZKYAJXGGPIDGIH-OAQYLSRUSA-N -1 3 385.460 3.814 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccccc1C(=O)OC(C)(C)C ZINC001148386547 904062295 /nfs/dbraw/zinc/06/22/95/904062295.db2.gz XORLQUAFEHHIBG-UHFFFAOYSA-N -1 3 389.379 3.526 20 0 GHADHM Cc1ccc(C(=O)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c([O-])c1 ZINC001148498829 904098079 /nfs/dbraw/zinc/09/80/79/904098079.db2.gz MXOQUGATIDWUJQ-UHFFFAOYSA-N -1 3 391.471 3.519 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC001148961780 904259192 /nfs/dbraw/zinc/25/91/92/904259192.db2.gz PVIFSPXHRILVQP-UHFFFAOYSA-N -1 3 385.807 3.681 20 0 GHADHM CCOC(=O)c1cc(COC)cc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000578985466 904276976 /nfs/dbraw/zinc/27/69/76/904276976.db2.gz AHMMNLPGYVQCLG-UHFFFAOYSA-N -1 3 389.423 3.816 20 0 GHADHM C[C@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)C(F)(F)F ZINC000579031373 904302244 /nfs/dbraw/zinc/30/22/44/904302244.db2.gz NFOPXDHCWVXSLC-ZCFIWIBFSA-N -1 3 388.147 3.950 20 0 GHADHM Cc1ccc(NCCc2ccc(CC(=O)OC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC001171344112 904317958 /nfs/dbraw/zinc/31/79/58/904317958.db2.gz CABNCIZQDAVUFP-UHFFFAOYSA-N -1 3 393.491 3.714 20 0 GHADHM Cc1ccc(NCCc2ccc(CC(=O)OC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC001171344112 904317983 /nfs/dbraw/zinc/31/79/83/904317983.db2.gz CABNCIZQDAVUFP-UHFFFAOYSA-N -1 3 393.491 3.714 20 0 GHADHM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1F ZINC000773230820 904595144 /nfs/dbraw/zinc/59/51/44/904595144.db2.gz DRHGYTVIASFJSN-UHFFFAOYSA-N -1 3 382.413 3.592 20 0 GHADHM CN(CCOc1ccccc1C(F)(F)F)Cc1ccc(OCC(=O)[O-])cc1 ZINC000579484220 904641311 /nfs/dbraw/zinc/64/13/11/904641311.db2.gz JSWWUSKIWGAMAH-UHFFFAOYSA-N -1 3 383.366 3.680 20 0 GHADHM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646785405 914848300 /nfs/dbraw/zinc/84/83/00/914848300.db2.gz KTRZQEJJVVTGCT-UHFFFAOYSA-N -1 3 393.447 3.929 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)Nc1ccc2ccccc2c1 ZINC001186883418 914851031 /nfs/dbraw/zinc/85/10/31/914851031.db2.gz AQKWNTAYOGJFIK-LIRRHRJNSA-N -1 3 386.473 3.765 20 0 GHADHM COc1cc2[n-]cc(C(=O)NC(C)(C)Cc3ccc(C)cc3)c(=O)c2c(OC)c1 ZINC000627776706 905748813 /nfs/dbraw/zinc/74/88/13/905748813.db2.gz CFENYKVLPRKXEZ-UHFFFAOYSA-N -1 3 394.471 3.605 20 0 GHADHM O=C([O-])C[C@]1(NCc2cc(C(F)(F)F)ccc2Br)CCCOC1 ZINC000901524529 921202506 /nfs/dbraw/zinc/20/25/06/921202506.db2.gz IDZMSXIKTHZOPA-CQSZACIVSA-N -1 3 396.203 3.581 20 0 GHADHM C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901528517 921205993 /nfs/dbraw/zinc/20/59/93/921205993.db2.gz UICSWPSGAIEABE-WDBUWWRISA-N -1 3 394.397 3.736 20 0 GHADHM CCOc1cc(-c2noc(-c3cncc([O-])c3)n2)c(Br)cc1OC ZINC001212708828 906237640 /nfs/dbraw/zinc/23/76/40/906237640.db2.gz RGOJQQDFSRWDGO-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM CC(C)(C(=O)NN=c1ccc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1F ZINC000190860648 906367323 /nfs/dbraw/zinc/36/73/23/906367323.db2.gz WHOJUBGTLBPDPH-UHFFFAOYSA-N -1 3 376.741 3.709 20 0 GHADHM Cc1ccc(-c2nnc([C@@H](C)Sc3nc4c(cnn4C)c(=O)[n-]3)o2)cc1C ZINC000629218446 906600050 /nfs/dbraw/zinc/60/00/50/906600050.db2.gz NNVAMMARXVAINF-LLVKDONJSA-N -1 3 382.449 3.589 20 0 GHADHM O=C([N-]N1CCCNC1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000779372417 906603628 /nfs/dbraw/zinc/60/36/28/906603628.db2.gz REPBCTUBYXQKRQ-UHFFFAOYSA-N -1 3 378.457 3.537 20 0 GHADHM O=c1[n-]cncc1-c1nc(-c2ccc(C(F)(F)F)c(Br)c2)no1 ZINC001212754552 906677315 /nfs/dbraw/zinc/67/73/15/906677315.db2.gz BYHZRQAZERQRPJ-UHFFFAOYSA-N -1 3 387.115 3.681 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c(Cl)c1 ZINC000629295155 906686068 /nfs/dbraw/zinc/68/60/68/906686068.db2.gz LWVMNBPNXNWHOB-UHFFFAOYSA-N -1 3 397.806 3.680 20 0 GHADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc2[nH]cc(C)c2c1 ZINC000629313860 906696360 /nfs/dbraw/zinc/69/63/60/906696360.db2.gz ATGQSZBMYBGQFJ-QGZVFWFLSA-N -1 3 376.453 3.615 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1 ZINC000629333023 906716001 /nfs/dbraw/zinc/71/60/01/906716001.db2.gz NZDXELBFHGCOLZ-CQSZACIVSA-N -1 3 388.489 3.746 20 0 GHADHM C[C@@H](NCc1cc(Br)ccc1[O-])c1nc(Cc2ccccc2)no1 ZINC000191598212 907099395 /nfs/dbraw/zinc/09/93/95/907099395.db2.gz AKXDBMWDVMZMAU-GFCCVEGCSA-N -1 3 388.265 3.979 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c([O-])cccc1O ZINC000630025986 907100033 /nfs/dbraw/zinc/10/00/33/907100033.db2.gz ACRFCDGJSRZRGK-WCQYABFASA-N -1 3 376.250 3.879 20 0 GHADHM CC(C)COC(=O)c1cc(N)c(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429684 907549090 /nfs/dbraw/zinc/54/90/90/907549090.db2.gz MQRFNDYPIRVUMY-UHFFFAOYSA-N -1 3 386.843 3.659 20 0 GHADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001175492822 907574215 /nfs/dbraw/zinc/57/42/15/907574215.db2.gz RUAKFRQXPMKQGL-GOSISDBHSA-N -1 3 384.929 3.896 20 0 GHADHM CCOc1cc2c(cc1CNC(=O)c1cc(=O)c3ccccc3[n-]1)O[C@@H](C)C2 ZINC000299454007 921341388 /nfs/dbraw/zinc/34/13/88/921341388.db2.gz SVMSTAAMTRNFJX-ZDUSSCGKSA-N -1 3 378.428 3.593 20 0 GHADHM Fc1ccc([N-]c2nc3cc(C(F)(F)F)c(Br)cn3n2)nc1 ZINC001175849703 907795699 /nfs/dbraw/zinc/79/56/99/907795699.db2.gz RRQFHNQYYYTFSO-UHFFFAOYSA-N -1 3 376.111 3.788 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000631945893 907878734 /nfs/dbraw/zinc/87/87/34/907878734.db2.gz MHZOPYOLIQPVEK-PBWFPOADSA-N -1 3 380.282 3.556 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC000631987436 907889317 /nfs/dbraw/zinc/88/93/17/907889317.db2.gz GOEHBODTNVKYLI-LLVKDONJSA-N -1 3 399.337 3.902 20 0 GHADHM CC(C)CN(CCC(=O)[O-])Cc1cc(OC(F)F)ccc1Br ZINC000901591523 921378493 /nfs/dbraw/zinc/37/84/93/921378493.db2.gz BWQNCFXNTFVEPU-UHFFFAOYSA-N -1 3 380.229 3.983 20 0 GHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193133788 908095895 /nfs/dbraw/zinc/09/58/95/908095895.db2.gz DIDGUJJEUZFJMS-AWEZNQCLSA-N -1 3 377.872 3.889 20 0 GHADHM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 ZINC000901629068 921412351 /nfs/dbraw/zinc/41/23/51/921412351.db2.gz VCWWHTQAIWGBKK-AWEZNQCLSA-N -1 3 386.539 3.550 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)CCCCc1cccs1 ZINC001177489545 908596286 /nfs/dbraw/zinc/59/62/86/908596286.db2.gz YFIIQPBHZZYHIG-HNNXBMFYSA-N -1 3 380.510 3.503 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCCCc1cccs1 ZINC001177489545 908596305 /nfs/dbraw/zinc/59/63/05/908596305.db2.gz YFIIQPBHZZYHIG-HNNXBMFYSA-N -1 3 380.510 3.503 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCC[C@@H](C4CCC4)CC3)c(=O)c2c(OC)c1 ZINC000634525261 908747102 /nfs/dbraw/zinc/74/71/02/908747102.db2.gz SRKKJEIUVQWBKJ-OAHLLOKOSA-N -1 3 384.476 3.588 20 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Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCC(=O)c2ccc3ccccc3c2)n1 ZINC000636113197 909435441 /nfs/dbraw/zinc/43/54/41/909435441.db2.gz GKMIFLKATPUUNH-UHFFFAOYSA-N -1 3 377.444 3.658 20 0 GHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319916 909539902 /nfs/dbraw/zinc/53/99/02/909539902.db2.gz YBOGZPGLDXWSEH-LBPRGKRZSA-N -1 3 393.409 3.964 20 0 GHADHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cccc(F)c1OC(F)(F)F ZINC000636358641 909561661 /nfs/dbraw/zinc/56/16/61/909561661.db2.gz FVEBELNKGHZORX-VIFPVBQESA-N -1 3 377.319 3.680 20 0 GHADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cs1 ZINC000267611378 909564947 /nfs/dbraw/zinc/56/49/47/909564947.db2.gz HPAKGUIWMUNAGB-QMMMGPOBSA-N -1 3 381.306 3.636 20 0 GHADHM COCCOCCOc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001179509718 909575932 /nfs/dbraw/zinc/57/59/32/909575932.db2.gz IXNQWOSDRGYTHN-UHFFFAOYSA-N -1 3 381.428 3.840 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)s2)o1 ZINC001180221834 910022218 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COc1ccc(CN(C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1C ZINC000640292459 910955375 /nfs/dbraw/zinc/95/53/75/910955375.db2.gz KKDXLKJUSNMFTB-UHFFFAOYSA-N -1 3 390.793 3.502 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2Br)C2CC2)o1 ZINC000640307758 910961716 /nfs/dbraw/zinc/96/17/16/910961716.db2.gz HVRBMYSXDANNLY-ZWNOBZJWSA-N -1 3 393.285 3.517 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H](Cc1ccccc1)c1ccccc1 ZINC001181827233 911027474 /nfs/dbraw/zinc/02/74/74/911027474.db2.gz MVFUNFNEINPISP-OAQYLSRUSA-N -1 3 383.455 3.509 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H](Cc1ccccc1)c1ccccc1 ZINC001181827233 911027493 /nfs/dbraw/zinc/02/74/93/911027493.db2.gz MVFUNFNEINPISP-OAQYLSRUSA-N -1 3 383.455 3.509 20 0 GHADHM O=C(OCc1cncc(F)c1)c1n[n-]c(-c2ccccc2)c1Br ZINC000795560324 911154409 /nfs/dbraw/zinc/15/44/09/911154409.db2.gz YJMCCPQKZMAMHO-UHFFFAOYSA-N -1 3 376.185 3.730 20 0 GHADHM O=C(Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl)c1ccco1 ZINC000274179415 911252947 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CCCN(C(=O)c1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000092764647 911781710 /nfs/dbraw/zinc/78/17/10/911781710.db2.gz ZMZBGOLZZMHNSA-UHFFFAOYSA-N -1 3 376.497 3.952 20 0 GHADHM Cc1nn2c(CN3C[C@H](C(=O)[O-])[C@H](c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000901886328 921693342 /nfs/dbraw/zinc/69/33/42/921693342.db2.gz JCCQOLDIPSTERP-HOTGVXAUSA-N -1 3 384.505 3.523 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ncccc2OC(F)F)s1 ZINC001182567972 911873247 /nfs/dbraw/zinc/87/32/47/911873247.db2.gz BXEZYMRZAZNOPA-UHFFFAOYSA-N -1 3 386.380 3.739 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2cccc(Oc3ccc(F)cc3)c2)n[n-]1 ZINC001182595891 911903472 /nfs/dbraw/zinc/90/34/72/911903472.db2.gz YENJLVUPIWLROU-CYBMUJFWSA-N -1 3 384.411 3.764 20 0 GHADHM CC(C)c1ccc(C2(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CCCC2)cc1 ZINC001182666753 911933761 /nfs/dbraw/zinc/93/37/61/911933761.db2.gz DBDCFZBYLIGANW-UHFFFAOYSA-N -1 3 390.483 3.935 20 0 GHADHM Cc1cnc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)s1 ZINC000901896381 921712553 /nfs/dbraw/zinc/71/25/53/921712553.db2.gz BWGNEPQMTMSMAV-KGLIPLIRSA-N -1 3 381.295 3.514 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC001182832466 912072673 /nfs/dbraw/zinc/07/26/73/912072673.db2.gz LWKAEPGZGHJOCF-OAHLLOKOSA-N -1 3 392.496 3.653 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C1CC1 ZINC000901900951 921716960 /nfs/dbraw/zinc/71/69/60/921716960.db2.gz SBMMZLFIGOTIJT-NWDGAFQWSA-N -1 3 390.224 3.593 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C(C)C)oc2C)cc1OC ZINC000285037201 912130961 /nfs/dbraw/zinc/13/09/61/912130961.db2.gz JMUUXKQTLBYSKP-UHFFFAOYSA-N -1 3 380.466 3.734 20 0 GHADHM COC(=O)CN(Cc1cnc(C2CCC2)s1)Cc1cc(Cl)ccc1[O-] ZINC000093277164 912152832 /nfs/dbraw/zinc/15/28/32/912152832.db2.gz IVDACAFMGVPUFN-UHFFFAOYSA-N -1 3 380.897 3.945 20 0 GHADHM C[C@@H](NC1CCN(Cc2ccccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC000901913068 921728021 /nfs/dbraw/zinc/72/80/21/921728021.db2.gz VNYWIRBQNXMUEB-GFCCVEGCSA-N -1 3 379.913 3.810 20 0 GHADHM O=S(=O)(Cc1ccccc1Cl)[N-]c1ncc(Br)cc1F ZINC000775061108 914901812 /nfs/dbraw/zinc/90/18/12/914901812.db2.gz SBLXZPOEGSZJLP-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=C(Nc1cc(F)cc2c1-c1ccc(F)cc1C2)c1[n-]nnc1C(F)(F)F ZINC001187766033 915513091 /nfs/dbraw/zinc/51/30/91/915513091.db2.gz CGVOHZGEFJXWPK-UHFFFAOYSA-N -1 3 380.276 3.925 20 0 GHADHM O=C(Nc1cc(F)cc2c1-c1ccc(F)cc1C2)c1nn[n-]c1C(F)(F)F ZINC001187766033 915513099 /nfs/dbraw/zinc/51/30/99/915513099.db2.gz CGVOHZGEFJXWPK-UHFFFAOYSA-N -1 3 380.276 3.925 20 0 GHADHM O=C(C[C@H]1CCCC(=O)N1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000292142019 915533263 /nfs/dbraw/zinc/53/32/63/915533263.db2.gz MAABZIONVXYTHJ-GFCCVEGCSA-N -1 3 381.457 3.666 20 0 GHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cn(C2CCC2)nn1 ZINC000648360006 915649832 /nfs/dbraw/zinc/64/98/32/915649832.db2.gz OFLVLWNOXWIHCX-UHFFFAOYSA-N -1 3 378.820 3.566 20 0 GHADHM Cc1ccc([C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C2CC2)cc1 ZINC000292440876 915683143 /nfs/dbraw/zinc/68/31/43/915683143.db2.gz NXVQBKUWBDHNHR-RHSMWYFYSA-N -1 3 397.441 3.546 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188097509 915754067 /nfs/dbraw/zinc/75/40/67/915754067.db2.gz MAPHURGJQHNJOU-WCQYABFASA-N -1 3 377.680 3.876 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC001188098010 915755810 /nfs/dbraw/zinc/75/58/10/915755810.db2.gz UOOLQIMZONLQIU-UHFFFAOYSA-N -1 3 375.277 3.526 20 0 GHADHM CCc1nccn1[C@H](C)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000648738471 915848817 /nfs/dbraw/zinc/84/88/17/915848817.db2.gz VDLAUUMHKUDLOK-CQSZACIVSA-N -1 3 379.464 3.760 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC001188290409 915850579 /nfs/dbraw/zinc/85/05/79/915850579.db2.gz UEZVRRITHUNXMC-ZDUSSCGKSA-N -1 3 381.929 3.515 20 0 GHADHM O=S(=O)([N-]CCOCc1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC001188254819 915856531 /nfs/dbraw/zinc/85/65/31/915856531.db2.gz OOAHMNYBYSOKED-UHFFFAOYSA-N -1 3 395.695 3.537 20 0 GHADHM CCc1nccn1[C@H](C)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000648871275 915917928 /nfs/dbraw/zinc/91/79/28/915917928.db2.gz FLCAYNXVQUIQNV-OAHLLOKOSA-N -1 3 398.507 3.803 20 0 GHADHM Cc1cccc2c1[C@H]([N-]S(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)C(=O)N2 ZINC001188453873 915979447 /nfs/dbraw/zinc/97/94/47/915979447.db2.gz YEZBMPCPTYEGED-FQEVSTJZSA-N -1 3 396.443 3.773 20 0 GHADHM Cc1nsc(C)c1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000293073144 915986646 /nfs/dbraw/zinc/98/66/46/915986646.db2.gz QXIQOAXTHOIENP-SECBINFHSA-N -1 3 398.897 3.503 20 0 GHADHM COCC1(c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CCOCC1 ZINC000293082614 915994361 /nfs/dbraw/zinc/99/43/61/915994361.db2.gz CXQNFEOVYNVDIG-UHFFFAOYSA-N -1 3 380.444 3.728 20 0 GHADHM Cc1cccc([O-])c1C(=O)NCCc1ccc(CCC(=O)OC(C)(C)C)cc1 ZINC001188659030 916082824 /nfs/dbraw/zinc/08/28/24/916082824.db2.gz NVUJRTPHWXSYHI-UHFFFAOYSA-N -1 3 383.488 3.947 20 0 GHADHM COc1ccc2ncc(C(=O)[O-])c(N3CCN([C@@H](C)c4ccsc4)CC3)c2c1 ZINC000649394626 916138705 /nfs/dbraw/zinc/13/87/05/916138705.db2.gz ULMXRUMVEQUYCV-AWEZNQCLSA-N -1 3 397.500 3.886 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)nc(C2CC2)[n-]1 ZINC001188803072 916218096 /nfs/dbraw/zinc/21/80/96/916218096.db2.gz ISVPXQDSMMIOAU-UHFFFAOYSA-N -1 3 381.413 3.760 20 0 GHADHM O=C(Nc1ccc([O-])c(Br)c1)Nc1cc(F)cc2c1OCOC2 ZINC001188867432 916241775 /nfs/dbraw/zinc/24/17/75/916241775.db2.gz VPHBTLGZVJBAFW-UHFFFAOYSA-N -1 3 383.173 3.804 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC001188856628 916260010 /nfs/dbraw/zinc/26/00/10/916260010.db2.gz AHCDXFFRRMVALY-KBPBESRZSA-N -1 3 386.926 3.699 20 0 GHADHM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(Oc4cccnc4)cc3)cc2C1 ZINC001188901068 916287414 /nfs/dbraw/zinc/28/74/14/916287414.db2.gz DKUDHRVJHZKDNJ-UHFFFAOYSA-N -1 3 395.484 3.663 20 0 GHADHM O=c1c2ccc(Br)cc2on1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001189423182 916625366 /nfs/dbraw/zinc/62/53/66/916625366.db2.gz ABSMRVMRXUFCNS-UHFFFAOYSA-N -1 3 398.216 3.568 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(C)c1 ZINC001189530332 916725651 /nfs/dbraw/zinc/72/56/51/916725651.db2.gz UXAPHIHGIPQFLJ-UHFFFAOYSA-N -1 3 387.379 3.742 20 0 GHADHM COCCOc1cc(C)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000775271213 916761767 /nfs/dbraw/zinc/76/17/67/916761767.db2.gz DPEMFTKDDKVUPG-UHFFFAOYSA-N -1 3 389.473 3.586 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)c1 ZINC001189608751 916773619 /nfs/dbraw/zinc/77/36/19/916773619.db2.gz CJYJLZNUCZGRFL-UHFFFAOYSA-N -1 3 392.260 3.820 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)c(F)c1F ZINC001189655465 916816796 /nfs/dbraw/zinc/81/67/96/916816796.db2.gz HJYPGFPRYLARFS-AWEZNQCLSA-N -1 3 388.867 3.508 20 0 GHADHM Cc1onc(-c2cccc(Br)c2)c1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000650283964 916857284 /nfs/dbraw/zinc/85/72/84/916857284.db2.gz UMGGJUKKOSOBIQ-UHFFFAOYSA-N -1 3 390.241 3.837 20 0 GHADHM COc1cc2c(cc1C)C[C@H](NC(=O)c1cccc(OC(F)(F)F)c1[O-])C2 ZINC001189764755 916899939 /nfs/dbraw/zinc/89/99/39/916899939.db2.gz FXIRPJLARWJNDU-ZDUSSCGKSA-N -1 3 381.350 3.505 20 0 GHADHM COCCOc1c(F)cccc1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189765531 916901933 /nfs/dbraw/zinc/90/19/33/916901933.db2.gz DRDWCBCQTBSZJU-UHFFFAOYSA-N -1 3 389.301 3.707 20 0 GHADHM CSC(C)(C)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000775330621 916976312 /nfs/dbraw/zinc/97/63/12/916976312.db2.gz UWUYOFLANCPRFK-UHFFFAOYSA-N -1 3 397.493 3.925 20 0 GHADHM CCOC(=O)c1c(C)nsc1[N-]C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC001189977270 917005239 /nfs/dbraw/zinc/00/52/39/917005239.db2.gz FNOKORKUFGTYIS-UHFFFAOYSA-N -1 3 387.417 3.544 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1Cl ZINC001189957935 917021982 /nfs/dbraw/zinc/02/19/82/917021982.db2.gz QKOFXBKMFVAWCQ-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504624 917041922 /nfs/dbraw/zinc/04/19/22/917041922.db2.gz VDVDWSCICBZDRG-LJQANCHMSA-N -1 3 388.552 3.589 20 0 GHADHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000650505791 917041985 /nfs/dbraw/zinc/04/19/85/917041985.db2.gz QFQROULBDVPEOV-YOEHRIQHSA-N -1 3 399.318 3.986 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001190025736 917062787 /nfs/dbraw/zinc/06/27/87/917062787.db2.gz USZKJHXBYBKTTF-QJMRKGMQSA-N -1 3 392.546 3.704 20 0 GHADHM CCO[C@@H](C)c1nc(CN2CCN(Cc3c(F)ccc([O-])c3F)CC2)cs1 ZINC000295521262 917340275 /nfs/dbraw/zinc/34/02/75/917340275.db2.gz ZYEIOQSNIJFVCD-ZDUSSCGKSA-N -1 3 397.491 3.542 20 0 GHADHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1c([O-])ccc(Br)c1C)C2 ZINC000650946259 917352445 /nfs/dbraw/zinc/35/24/45/917352445.db2.gz CRWMSQOOLCVRLC-GFCCVEGCSA-N -1 3 392.249 3.662 20 0 GHADHM O=S(=O)([N-]c1c(Br)cccc1C(F)(F)F)c1ccncc1 ZINC001190897234 917638004 /nfs/dbraw/zinc/63/80/04/917638004.db2.gz BDGWHXJUOJCAPQ-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C)nc2Cl)c1 ZINC001191273507 917886430 /nfs/dbraw/zinc/88/64/30/917886430.db2.gz KAKRJISAFTZWQZ-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000652459621 917904013 /nfs/dbraw/zinc/90/40/13/917904013.db2.gz COGNNWVZVSVJGA-HXUWFJFHSA-N -1 3 385.504 3.862 20 0 GHADHM Cn1c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc2ccc(Br)cc21 ZINC000652498561 917912156 /nfs/dbraw/zinc/91/21/56/917912156.db2.gz MFTXJRHRSQTVJX-GFCCVEGCSA-N -1 3 394.313 3.659 20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1NC(=O)Nc1ccc(Cl)c(C)c1)OCC ZINC001191739422 918189592 /nfs/dbraw/zinc/18/95/92/918189592.db2.gz DHKFDPSKGWYPQX-UHFFFAOYSA-N -1 3 394.859 3.730 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(Br)cc1C(F)(F)F ZINC000775479366 918215709 /nfs/dbraw/zinc/21/57/09/918215709.db2.gz LTWVYVUQOATZMJ-UHFFFAOYSA-N -1 3 399.188 3.576 20 0 GHADHM Cc1nc(CCNCc2oc3ccccc3c2Br)sc1C(=O)[O-] ZINC000653502347 918267727 /nfs/dbraw/zinc/26/77/27/918267727.db2.gz AAQHCADSIFLPFR-UHFFFAOYSA-N -1 3 395.278 3.991 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]Cc1cc(-c2ccccc2)no1 ZINC001191913950 918318046 /nfs/dbraw/zinc/31/80/46/918318046.db2.gz QQJXUEMRYXVKIA-UHFFFAOYSA-N -1 3 380.828 3.754 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC001191968722 918342209 /nfs/dbraw/zinc/34/22/09/918342209.db2.gz FDLORNZQJDEQDW-UHFFFAOYSA-N -1 3 389.404 3.575 20 0 GHADHM Cc1ccc(-c2cccc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)n2)cc1 ZINC001192055691 918391759 /nfs/dbraw/zinc/39/17/59/918391759.db2.gz DDBOISPDPJYBSG-UHFFFAOYSA-N -1 3 397.438 3.853 20 0 GHADHM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000796604128 918786057 /nfs/dbraw/zinc/78/60/57/918786057.db2.gz CYLWXPGNHPAXOT-SZNDQCEHSA-N -1 3 392.459 3.710 20 0 GHADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654595410 919238982 /nfs/dbraw/zinc/23/89/82/919238982.db2.gz NXFHJPIPJQJIJS-UHFFFAOYSA-N -1 3 390.281 3.873 20 0 GHADHM CCOc1cc(CN(C)Cc2nccn2CC(F)(F)F)cc(Cl)c1[O-] ZINC000297646811 919533682 /nfs/dbraw/zinc/53/36/82/919533682.db2.gz IQWKDRKVSZJLRG-UHFFFAOYSA-N -1 3 377.794 3.835 20 0 GHADHM COc1cccc(-c2nc(COC(=O)c3cc(F)cc4[n-]nnc43)cs2)c1 ZINC000800258379 919796011 /nfs/dbraw/zinc/79/60/11/919796011.db2.gz AHEZFGRBCVMIHE-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM COc1cccc(-c2nc(COC(=O)c3cc(F)cc4nn[n-]c43)cs2)c1 ZINC000800258379 919796024 /nfs/dbraw/zinc/79/60/24/919796024.db2.gz AHEZFGRBCVMIHE-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM COc1cccc(-c2nc(COC(=O)c3cc(F)cc4n[n-]nc43)cs2)c1 ZINC000800258379 919796041 /nfs/dbraw/zinc/79/60/41/919796041.db2.gz AHEZFGRBCVMIHE-UHFFFAOYSA-N -1 3 384.392 3.586 20 0 GHADHM COc1ccc(CNC[C@@H](CC2CCCC2)C(=O)[O-])c(Br)c1O ZINC000900082955 919820102 /nfs/dbraw/zinc/82/01/02/919820102.db2.gz BOWVEKQRGIVAOO-CYBMUJFWSA-N -1 3 386.286 3.534 20 0 GHADHM C[C@@H](Oc1ccc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1)C(=O)[O-] ZINC000902102134 921879673 /nfs/dbraw/zinc/87/96/73/921879673.db2.gz UOGDGGGHGKVUID-OAHLLOKOSA-N -1 3 382.460 3.567 20 0 GHADHM COc1ccc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1OC(F)F ZINC000902109249 921882365 /nfs/dbraw/zinc/88/23/65/921882365.db2.gz POGZBQGIYPTHLB-UHFFFAOYSA-N -1 3 395.402 3.667 20 0 GHADHM CC[C@@H](C)NC(=O)c1cccc(CNCc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC000902111413 921885635 /nfs/dbraw/zinc/88/56/35/921885635.db2.gz FIZNCAWTMWDQDI-OAHLLOKOSA-N -1 3 391.471 3.751 20 0 GHADHM COc1ccc(CCCN(C)Cc2cn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000902152494 921930740 /nfs/dbraw/zinc/93/07/40/921930740.db2.gz MBRWAIMZKUOZHT-UHFFFAOYSA-N -1 3 379.460 3.644 20 0 GHADHM O=C([O-])C=Cc1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)o1 ZINC000902204588 921985102 /nfs/dbraw/zinc/98/51/02/921985102.db2.gz SCMNXWUFQGSIDD-HJWRWDBZSA-N -1 3 378.432 3.542 20 0 GHADHM O=C([O-])COc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000902207127 921986979 /nfs/dbraw/zinc/98/69/79/921986979.db2.gz WIRRBIUJQWMAHZ-UHFFFAOYSA-N -1 3 375.852 3.599 20 0 GHADHM Cc1oc(C(=O)[O-])cc1CNCCOc1ncc(C(F)(F)F)cc1Cl ZINC000902306083 922072826 /nfs/dbraw/zinc/07/28/26/922072826.db2.gz AXKOCYITBKLIRS-UHFFFAOYSA-N -1 3 378.734 3.522 20 0 GHADHM O=C([O-])Cn1cc(CN[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)nn1 ZINC000902351827 922112735 /nfs/dbraw/zinc/11/27/35/922112735.db2.gz RMZOXVYRZHSGKE-WBVHZDCISA-N -1 3 396.413 3.588 20 0 GHADHM O=C([O-])C(F)(F)[C@H]1CC[C@@H](NCc2csc(CCc3ccccc3)n2)C1 ZINC000902364488 922126071 /nfs/dbraw/zinc/12/60/71/922126071.db2.gz PYOINGJQAYMUEJ-LSDHHAIUSA-N -1 3 380.460 3.907 20 0 GHADHM O=C([O-])c1cccc(CN2CCC(c3cccc(Br)c3)CC2)n1 ZINC000902375633 922137661 /nfs/dbraw/zinc/13/76/61/922137661.db2.gz FPQPVQHGUHRJET-UHFFFAOYSA-N -1 3 375.266 3.922 20 0 GHADHM C[C@H](Oc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1)C(=O)[O-] ZINC000902378413 922139872 /nfs/dbraw/zinc/13/98/72/922139872.db2.gz NLZKRFVENVMYSJ-PGRDOPGGSA-N -1 3 383.488 3.762 20 0 GHADHM CCc1oc(CN[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cc1C(=O)[O-] ZINC000902504796 922245771 /nfs/dbraw/zinc/24/57/71/922245771.db2.gz QPTPZGREWGMCRP-USXIJHARSA-N -1 3 376.250 3.731 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000368170309 922514162 /nfs/dbraw/zinc/51/41/62/922514162.db2.gz CPOXJPWMALFGAG-UHFFFAOYSA-N -1 3 391.402 3.828 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCS[C@@H](C(F)(F)F)C3)cc2)cc(=O)[n-]1 ZINC000902908362 922590867 /nfs/dbraw/zinc/59/08/67/922590867.db2.gz LBABZELSIOZVMJ-CQSZACIVSA-N -1 3 398.410 3.669 20 0 GHADHM C[C@@H]1C[C@@H](C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000902918798 922603526 /nfs/dbraw/zinc/60/35/26/922603526.db2.gz VWHCRXUKPUFFOD-BDAKNGLRSA-N -1 3 386.748 3.777 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc(=O)c2ccc(F)cc2o1 ZINC000803159808 922732537 /nfs/dbraw/zinc/73/25/37/922732537.db2.gz RXZBJWMVFJOPGH-UHFFFAOYSA-N -1 3 383.253 3.789 20 0 GHADHM CC(=O)c1cc(F)c([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c(F)c1F ZINC000903115048 922784833 /nfs/dbraw/zinc/78/48/33/922784833.db2.gz KWENJNKDUDOKOI-GFCCVEGCSA-N -1 3 390.210 3.632 20 0 GHADHM CC(C)SCCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000803282828 922853944 /nfs/dbraw/zinc/85/39/44/922853944.db2.gz OZZWCYRMPGZPLN-IBGZPJMESA-N -1 3 387.501 3.938 20 0 GHADHM COc1ccc(C(=O)[O-])cc1CN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000903598987 923115827 /nfs/dbraw/zinc/11/58/27/923115827.db2.gz YXYJSVMLVWGDIQ-NRFANRHFSA-N -1 3 383.488 3.926 20 0 GHADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903626889 923135874 /nfs/dbraw/zinc/13/58/74/923135874.db2.gz IXFOOSUGDSGCJO-WCQYABFASA-N -1 3 396.178 3.941 20 0 GHADHM Cc1ccnc(-c2noc(CC3CCN(Cc4ccc(C(=O)[O-])s4)CC3)n2)c1 ZINC000903693321 923209658 /nfs/dbraw/zinc/20/96/58/923209658.db2.gz FZXMUUOQHMYQFU-UHFFFAOYSA-N -1 3 398.488 3.654 20 0 GHADHM C[C@@H](Cn1ccc2ccccc21)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000803793961 923256318 /nfs/dbraw/zinc/25/63/18/923256318.db2.gz KVAXMNVEZLINNL-AWEZNQCLSA-N -1 3 377.400 3.776 20 0 GHADHM O=C([O-])[C@@H](CCc1ccccc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000903898345 923378019 /nfs/dbraw/zinc/37/80/19/923378019.db2.gz PHEYWNLNODVSAM-MOPGFXCFSA-N -1 3 391.414 3.747 20 0 GHADHM Cc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)c(C)cc1I ZINC000903901814 923383816 /nfs/dbraw/zinc/38/38/16/923383816.db2.gz QSVGNRMUTGIDIA-INIZCTEOSA-N -1 3 387.261 3.595 20 0 GHADHM Cc1ccc(Br)cc1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903940586 923416187 /nfs/dbraw/zinc/41/61/87/923416187.db2.gz HFLADXQFVHVFKQ-JQFCIGGWSA-N -1 3 382.298 3.602 20 0 GHADHM O=C([O-])[C@@H]1CCN(CCOc2cc(Cl)ccc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000903944230 923423112 /nfs/dbraw/zinc/42/31/12/923423112.db2.gz PTURZBRPVIVGLJ-KCXAZCMYSA-N -1 3 388.291 3.716 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2nc3ccc(Br)cc3n2C)[C@H](C)[C@H]1C(=O)[O-] ZINC000903953306 923433450 /nfs/dbraw/zinc/43/34/50/923433450.db2.gz QTFLYZVLCAFYDM-DRAKQNMHSA-N -1 3 394.313 3.655 20 0 GHADHM C/C(=C\C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000748390704 923609857 /nfs/dbraw/zinc/60/98/57/923609857.db2.gz LPDMAMDFTYIRRM-PKNBQFBNSA-N -1 3 397.374 3.670 20 0 GHADHM COc1ccc(NC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1Cl ZINC000748477201 923662998 /nfs/dbraw/zinc/66/29/98/923662998.db2.gz SEWXMGSFWABROD-UHFFFAOYSA-N -1 3 388.178 3.642 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000748845841 923859186 /nfs/dbraw/zinc/85/91/86/923859186.db2.gz UDQXJSQFZAKYQE-UHFFFAOYSA-N -1 3 376.497 3.893 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000370095872 923870477 /nfs/dbraw/zinc/87/04/77/923870477.db2.gz YUHATNIVOXMNSP-UHFFFAOYSA-N -1 3 378.766 3.502 20 0 GHADHM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Oc1ccccc1Cl ZINC000749108424 924025756 /nfs/dbraw/zinc/02/57/56/924025756.db2.gz IEBSCFFDYHRJPB-NSHDSACASA-N -1 3 375.277 3.524 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)[C@@H](C)c2ccccc2)c1Cl ZINC000676856504 924112741 /nfs/dbraw/zinc/11/27/41/924112741.db2.gz FUDOXWHHEPVYCY-SWLSCSKDSA-N -1 3 388.316 3.745 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H]1COc2ccccc21 ZINC000677244012 924297235 /nfs/dbraw/zinc/29/72/35/924297235.db2.gz XPWLTOXVSFREOY-CZUORRHYSA-N -1 3 386.498 3.653 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1cccc(N2CCCC2)c1 ZINC001137304394 924398666 /nfs/dbraw/zinc/39/86/66/924398666.db2.gz SCIQLOQLEAVCEO-ZDUSSCGKSA-N -1 3 397.425 3.898 20 0 GHADHM COc1cc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)ccn1 ZINC000677806414 924505258 /nfs/dbraw/zinc/50/52/58/924505258.db2.gz BPNBKGNLIWWZJA-UHFFFAOYSA-N -1 3 399.863 3.870 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)c1 ZINC000409473008 924672777 /nfs/dbraw/zinc/67/27/77/924672777.db2.gz ABOHZKTUBALPSP-QGZVFWFLSA-N -1 3 379.503 3.745 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 ZINC000409723336 924914707 /nfs/dbraw/zinc/91/47/07/924914707.db2.gz WIWZSTVUDJKHIH-UHFFFAOYSA-N -1 3 395.484 3.755 20 0 GHADHM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1cccc(Br)c1F ZINC000409887818 925106749 /nfs/dbraw/zinc/10/67/49/925106749.db2.gz TZSLASQLJUQFPD-UHFFFAOYSA-N -1 3 386.233 3.692 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000679459074 925149728 /nfs/dbraw/zinc/14/97/28/925149728.db2.gz AAUBYCKJLPKDLY-MRXNPFEDSA-N -1 3 386.452 3.615 20 0 GHADHM CN(CCOC(C)(C)C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679571299 925184820 /nfs/dbraw/zinc/18/48/20/925184820.db2.gz LAKQSPVAYYYPAG-HXUWFJFHSA-N -1 3 398.503 3.527 20 0 GHADHM COc1cccc([C@@H]([N-]C(=O)C(F)(F)c2ccccc2F)c2nccn2C)c1 ZINC000372324839 925338223 /nfs/dbraw/zinc/33/82/23/925338223.db2.gz LVSRNDTXCQJYRN-QGZVFWFLSA-N -1 3 389.377 3.565 20 0 GHADHM Cc1ccc(CCS(=O)(=O)[N-][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000410146076 925347849 /nfs/dbraw/zinc/34/78/49/925347849.db2.gz SQHKKIGOKNTJCS-OAHLLOKOSA-N -1 3 377.510 3.649 20 0 GHADHM CCc1nn(C)cc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000410164754 925367713 /nfs/dbraw/zinc/36/77/13/925367713.db2.gz FMJJGUIOVHZOAT-UHFFFAOYSA-N -1 3 388.427 3.869 20 0 GHADHM CCCCc1nc(NC(=O)c2ocnc2-c2ccccc2)c(C(=O)OCC)[n-]1 ZINC000410754626 925815151 /nfs/dbraw/zinc/81/51/51/925815151.db2.gz OQHLOINWPOGQBC-UHFFFAOYSA-N -1 3 382.420 3.836 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(N(C)C(C)=O)cc3)c2)n1 ZINC000373210948 925935649 /nfs/dbraw/zinc/93/56/49/925935649.db2.gz RMVGICRDVFAORR-UHFFFAOYSA-N -1 3 390.443 3.647 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2ncsc2C(F)(F)F)nc1C(C)C ZINC000411057009 926017348 /nfs/dbraw/zinc/01/73/48/926017348.db2.gz OQWSXEBAHXSAPQ-UHFFFAOYSA-N -1 3 379.385 3.781 20 0 GHADHM O=C([O-])c1ccccc1C1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000682184908 926037864 /nfs/dbraw/zinc/03/78/64/926037864.db2.gz GGHBPPFTHLZTDG-NRFANRHFSA-N -1 3 378.472 3.760 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)cc2OC(C)(C)C)c1 ZINC001137489807 926044683 /nfs/dbraw/zinc/04/46/83/926044683.db2.gz LYGRAXVWKIUKQF-UHFFFAOYSA-N -1 3 382.460 3.932 20 0 GHADHM CCSc1nccnc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000373732467 926373671 /nfs/dbraw/zinc/37/36/71/926373671.db2.gz VDJDYNJZDJWVCF-UHFFFAOYSA-N -1 3 381.461 3.566 20 0 GHADHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725823335 926458484 /nfs/dbraw/zinc/45/84/84/926458484.db2.gz UJGAPNAKQLGMGU-UHFFFAOYSA-N -1 3 389.304 3.834 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)Cc1ccc(Cl)cc1Cl ZINC000725833186 926462497 /nfs/dbraw/zinc/46/24/97/926462497.db2.gz VONFTTWDMAOMNQ-MRVPVSSYSA-N -1 3 396.727 3.598 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000374100276 926759465 /nfs/dbraw/zinc/75/94/65/926759465.db2.gz DGTHZLKUPKEABK-UHFFFAOYSA-N -1 3 378.407 3.750 20 0 GHADHM CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411993477 926987267 /nfs/dbraw/zinc/98/72/67/926987267.db2.gz WYDOMGPQNWJLMN-UHFFFAOYSA-N -1 3 381.432 3.623 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000749394681 927086247 /nfs/dbraw/zinc/08/62/47/927086247.db2.gz WEADBAVBPICIAL-KRWDZBQOSA-N -1 3 376.456 3.616 20 0 GHADHM Cc1csc([C@@H]2CCCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C2)n1 ZINC000412151027 927152016 /nfs/dbraw/zinc/15/20/16/927152016.db2.gz SPKKZOYUCRNEPU-GFCCVEGCSA-N -1 3 387.892 3.966 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(Cc2cccnc2)CC1 ZINC000412230788 927235409 /nfs/dbraw/zinc/23/54/09/927235409.db2.gz PAJSZQKBOUIHIU-UHFFFAOYSA-N -1 3 381.863 3.671 20 0 GHADHM C[C@H](c1ccccc1)N(C)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000749794393 927274217 /nfs/dbraw/zinc/27/42/17/927274217.db2.gz HQHJCNTYAOGNKJ-QGZVFWFLSA-N -1 3 376.456 3.650 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1[O-] ZINC000412266374 927274951 /nfs/dbraw/zinc/27/49/51/927274951.db2.gz YKNHWTCKYDOPNG-UHFFFAOYSA-N -1 3 378.350 3.725 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)cc1[O-] ZINC000412424657 927436485 /nfs/dbraw/zinc/43/64/85/927436485.db2.gz LWMHSDLKLSUQFC-INIZCTEOSA-N -1 3 389.249 3.730 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000374789942 927526277 /nfs/dbraw/zinc/52/62/77/927526277.db2.gz ZKHCYYPOWGRTSQ-MRXNPFEDSA-N -1 3 396.491 3.572 20 0 GHADHM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000412785682 927841728 /nfs/dbraw/zinc/84/17/28/927841728.db2.gz UAEYOICCRHSZPM-CQSZACIVSA-N -1 3 390.480 3.887 20 0 GHADHM O=c1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000412982121 928067078 /nfs/dbraw/zinc/06/70/78/928067078.db2.gz IECSAUBSBAQZON-UHFFFAOYSA-N -1 3 379.489 3.869 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1 ZINC000751420525 928183801 /nfs/dbraw/zinc/18/38/01/928183801.db2.gz CVBUVKHRUMBJFG-JTQLQIEISA-N -1 3 386.709 3.720 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)c1c(F)cccc1Cl ZINC000751479002 928212878 /nfs/dbraw/zinc/21/28/78/928212878.db2.gz WFLSETPVXASRIT-AYVTZFPOSA-N -1 3 396.242 3.672 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](O)c1cccc(F)c1 ZINC000751488365 928217426 /nfs/dbraw/zinc/21/74/26/928217426.db2.gz RQTXHCXKWFCLQS-VFZGTOFNSA-N -1 3 378.252 3.533 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000375404998 928266525 /nfs/dbraw/zinc/26/65/25/928266525.db2.gz PIXSXTUXBMPDSR-LJQANCHMSA-N -1 3 386.810 3.534 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000544101848 928807543 /nfs/dbraw/zinc/80/75/43/928807543.db2.gz RLZVVMPDEOZZSI-WDEREUQCSA-N -1 3 382.386 3.501 20 0 GHADHM CCCc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000467254464 928878397 /nfs/dbraw/zinc/87/83/97/928878397.db2.gz QDYSGGKRMCKHLV-UHFFFAOYSA-N -1 3 390.383 3.875 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)c1nccs1 ZINC000544175636 928890752 /nfs/dbraw/zinc/89/07/52/928890752.db2.gz OKVYRERDZHHJSE-SNVBAGLBSA-N -1 3 395.731 3.989 20 0 GHADHM Cc1cc(CNC(=O)NCc2cnc(C)[n-]c2=O)ccc1Oc1ccc(F)cc1 ZINC000544247129 928974826 /nfs/dbraw/zinc/97/48/26/928974826.db2.gz ZEBBROOVKXIGHO-UHFFFAOYSA-N -1 3 396.422 3.730 20 0 GHADHM CO[C@@H](C)c1nc(C)c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)s1 ZINC000467712292 929328676 /nfs/dbraw/zinc/32/86/76/929328676.db2.gz YSTRLDAOFFCBFK-VIFPVBQESA-N -1 3 378.404 3.501 20 0 GHADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467720741 929337590 /nfs/dbraw/zinc/33/75/90/929337590.db2.gz PGUGABPQFMWHII-DIFFPNOSSA-N -1 3 396.397 3.624 20 0 GHADHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cn2ccnc2s1 ZINC000467846201 929500476 /nfs/dbraw/zinc/50/04/76/929500476.db2.gz LAXUFEYIMNOFPW-UHFFFAOYSA-N -1 3 385.518 3.967 20 0 GHADHM Cc1noc(C)c1CCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000753838456 929558949 /nfs/dbraw/zinc/55/89/49/929558949.db2.gz DHDUOJCTISRVDS-UHFFFAOYSA-N -1 3 381.436 3.517 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1noc(Cc2ccccc2)n1 ZINC000469148597 929632659 /nfs/dbraw/zinc/63/26/59/929632659.db2.gz FSPYSVLFGYRPSH-CQSZACIVSA-N -1 3 383.423 3.705 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)ccc1F ZINC000469174015 929654701 /nfs/dbraw/zinc/65/47/01/929654701.db2.gz VTHZRYODYKNLCV-INIZCTEOSA-N -1 3 391.386 3.676 20 0 GHADHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000757612043 929744081 /nfs/dbraw/zinc/74/40/81/929744081.db2.gz RPXYQYYIWGNRLB-UHFFFAOYSA-N -1 3 392.434 3.819 20 0 GHADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cnn(CC(C)C)c1C)CC2 ZINC000758163264 929955120 /nfs/dbraw/zinc/95/51/20/929955120.db2.gz PRLUOKAFCCEIQQ-UHFFFAOYSA-N -1 3 375.494 3.585 20 0 GHADHM O=C(Nc1ccccc1[O-])/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000758602540 930099641 /nfs/dbraw/zinc/09/96/41/930099641.db2.gz MELXRGOEDIYDHI-GHRIWEEISA-N -1 3 389.440 3.744 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000469722070 930109605 /nfs/dbraw/zinc/10/96/05/930109605.db2.gz VRFNMFCETUADEF-AOOOYVTPSA-N -1 3 395.684 3.816 20 0 GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(-c2nc([C@H]3C[C@H]3C)no2)c1[O-] ZINC000546481183 930201583 /nfs/dbraw/zinc/20/15/83/930201583.db2.gz HCLDQONWKLFPAV-BZNIZROVSA-N -1 3 389.411 3.670 20 0 GHADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cn(Cc3ccccc3)nn2)s1 ZINC000469894902 930240417 /nfs/dbraw/zinc/24/04/17/930240417.db2.gz ZRJNCTFOKHRWKK-UHFFFAOYSA-N -1 3 394.435 3.545 20 0 GHADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cn(Cc2cccc(F)c2)nn1 ZINC000759161204 930295120 /nfs/dbraw/zinc/29/51/20/930295120.db2.gz BVJUVPKMZHLRLE-UHFFFAOYSA-N -1 3 386.456 3.617 20 0 GHADHM CCCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000470237569 930475331 /nfs/dbraw/zinc/47/53/31/930475331.db2.gz QRIGUHFORFMGAQ-UHFFFAOYSA-N -1 3 390.480 3.937 20 0 GHADHM CCc1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c(C)nn1 ZINC000546864125 930496118 /nfs/dbraw/zinc/49/61/18/930496118.db2.gz VYLZQTYDAJIEOM-UHFFFAOYSA-N -1 3 376.247 3.719 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1 ZINC000470602282 930745035 /nfs/dbraw/zinc/74/50/35/930745035.db2.gz OJWPYQRATZLCPU-GFCCVEGCSA-N -1 3 392.864 3.700 20 0 GHADHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470608497 930747911 /nfs/dbraw/zinc/74/79/11/930747911.db2.gz YAGGKYDNIGCBHR-SNVBAGLBSA-N -1 3 395.912 3.654 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)[n-]n1 ZINC000781430773 930843432 /nfs/dbraw/zinc/84/34/32/930843432.db2.gz MEEYUIPZFZKEBC-XFFZJAGNSA-N -1 3 387.745 3.824 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)n[n-]1 ZINC000781430773 930843441 /nfs/dbraw/zinc/84/34/41/930843441.db2.gz MEEYUIPZFZKEBC-XFFZJAGNSA-N -1 3 387.745 3.824 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1c2c(nc3ccccc31)CCC2 ZINC000781963310 931043977 /nfs/dbraw/zinc/04/39/77/931043977.db2.gz HJXSUHYWBYGNNN-UHFFFAOYSA-N -1 3 387.395 3.836 20 0 GHADHM CCc1cc2c(CN3CCC[C@@](OC)(C(F)(F)F)C3)cc(=O)oc2cc1[O-] ZINC000781977027 931049463 /nfs/dbraw/zinc/04/94/63/931049463.db2.gz HUNLZHNTSDINAY-SFHVURJKSA-N -1 3 385.382 3.604 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000547504292 931077196 /nfs/dbraw/zinc/07/71/96/931077196.db2.gz JFNYJBVXFMOLCF-YJBOKZPZSA-N -1 3 393.516 3.584 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(Br)cc1F ZINC000782199620 931117985 /nfs/dbraw/zinc/11/79/85/931117985.db2.gz SUXNULINIRJDNQ-UHFFFAOYSA-N -1 3 393.168 3.701 20 0 GHADHM C[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)N1CCc2ccccc2C1 ZINC000924083486 931188711 /nfs/dbraw/zinc/18/87/11/931188711.db2.gz JWAFCSKKYVYZQV-LBPRGKRZSA-N -1 3 399.397 3.631 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC(Nc2ncc(F)c(-c3ccsc3)n2)CC1 ZINC000557241536 931294460 /nfs/dbraw/zinc/29/44/60/931294460.db2.gz PDYDYKXPYBLELD-UHFFFAOYSA-N -1 3 398.463 3.767 20 0 GHADHM COc1ccccc1C/C(C)=C\C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783534349 931574389 /nfs/dbraw/zinc/57/43/89/931574389.db2.gz ZGELYXTXBRUJCU-OWBHPGMISA-N -1 3 380.400 3.683 20 0 GHADHM CCCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OCCC ZINC000783679074 931615493 /nfs/dbraw/zinc/61/54/93/931615493.db2.gz HJUCZMNNACVWAD-JXAWBTAJSA-N -1 3 380.444 3.987 20 0 GHADHM CC(C)Oc1ccccc1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000557776281 931679737 /nfs/dbraw/zinc/67/97/37/931679737.db2.gz OZEQINGGLUNEOX-UHFFFAOYSA-N -1 3 377.510 3.689 20 0 GHADHM CC(C)Oc1ccccc1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000557776281 931679759 /nfs/dbraw/zinc/67/97/59/931679759.db2.gz OZEQINGGLUNEOX-UHFFFAOYSA-N -1 3 377.510 3.689 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC(C)(C)C)c2ccccc2)s1 ZINC000557799288 931694750 /nfs/dbraw/zinc/69/47/50/931694750.db2.gz WUPKEHNWHROZRD-CQSZACIVSA-N -1 3 381.523 3.557 20 0 GHADHM CN(c1ccc(NC(=O)N2CCc3c(nc[n-]c3=O)C2)cc1F)C1CCCCC1 ZINC000783924525 931717448 /nfs/dbraw/zinc/71/74/48/931717448.db2.gz IMHQFDDNYMPVSC-UHFFFAOYSA-N -1 3 399.470 3.680 20 0 GHADHM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784507226 931916934 /nfs/dbraw/zinc/91/69/34/931916934.db2.gz GSMGOTDQAZDENY-UHFFFAOYSA-N -1 3 390.399 3.806 20 0 GHADHM COc1ccc(/C=C(/C)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1F ZINC000784695749 931981734 /nfs/dbraw/zinc/98/17/34/931981734.db2.gz KFARZEQKEHMDGG-XFXZXTDPSA-N -1 3 384.363 3.737 20 0 GHADHM CCc1ccccc1S(=O)(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000777595659 932167502 /nfs/dbraw/zinc/16/75/02/932167502.db2.gz JHXKEPRNFNAOHM-UHFFFAOYSA-N -1 3 379.791 3.622 20 0 GHADHM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cc(Cl)ccc1Br ZINC000797441652 932286714 /nfs/dbraw/zinc/28/67/14/932286714.db2.gz AODSTBAXJNBVNC-ZCFIWIBFSA-N -1 3 393.517 3.575 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000797837349 932425104 /nfs/dbraw/zinc/42/51/04/932425104.db2.gz KIPYMOAPIBZLLO-CMPLNLGQSA-N -1 3 394.711 3.523 20 0 GHADHM CC1(C)C[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC000798441179 932648382 /nfs/dbraw/zinc/64/83/82/932648382.db2.gz MIFHDXNYVZNKMK-INIZCTEOSA-N -1 3 397.441 3.509 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000928107222 932798243 /nfs/dbraw/zinc/79/82/43/932798243.db2.gz APYNOXUDHHBADZ-UHFFFAOYSA-N -1 3 399.462 3.824 20 0 GHADHM CCOC(=O)CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(C)cc1 ZINC000799198682 932911529 /nfs/dbraw/zinc/91/15/29/932911529.db2.gz VOVSTEAFHBGDGC-UHFFFAOYSA-N -1 3 391.427 3.960 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928359656 932944581 /nfs/dbraw/zinc/94/45/81/932944581.db2.gz XEBKMRLZLCFNQZ-CYBMUJFWSA-N -1 3 382.645 3.575 20 0 GHADHM CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000928385501 932958426 /nfs/dbraw/zinc/95/84/26/932958426.db2.gz BDPGLCXFJJXOJT-LBPRGKRZSA-N -1 3 391.393 3.885 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C)c2)c(Cl)c1 ZINC001116019790 933286769 /nfs/dbraw/zinc/28/67/69/933286769.db2.gz UKDSMVZZHUGCLN-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM O=C(Nc1ccc(SC2CCCC2)cc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929592474 933529384 /nfs/dbraw/zinc/52/93/84/933529384.db2.gz PVLYBZKGTQXBPG-HNNXBMFYSA-N -1 3 399.520 3.617 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000560819558 933585157 /nfs/dbraw/zinc/58/51/57/933585157.db2.gz FQOUSMUDSFKOEJ-UHFFFAOYSA-N -1 3 394.880 3.519 20 0 GHADHM O=C(CCc1nc2ccccc2s1)OCc1noc(-c2ccccc2[O-])n1 ZINC001116815157 933773488 /nfs/dbraw/zinc/77/34/88/933773488.db2.gz AXGBUMSEVADEOP-UHFFFAOYSA-N -1 3 381.413 3.728 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1nc(Br)ccc1F ZINC001116857507 933797231 /nfs/dbraw/zinc/79/72/31/933797231.db2.gz YBUXGYYPLUIGNS-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM Cc1ccc2c(c1)S[C@@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl)C2 ZINC000010417360 933853729 /nfs/dbraw/zinc/85/37/29/933853729.db2.gz WWPISROTASLCEK-OAHLLOKOSA-N -1 3 381.284 3.780 20 0 GHADHM O=S(=O)([N-]C1CC1)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)ccc1F ZINC001117189264 933876575 /nfs/dbraw/zinc/87/65/75/933876575.db2.gz QORIHVDPFSJVQC-UHFFFAOYSA-N -1 3 393.827 3.637 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(Cc2ccc3ccccc3c2)o1 ZINC001117240746 933904065 /nfs/dbraw/zinc/90/40/65/933904065.db2.gz WCWZXHSBDVRNDB-CYBMUJFWSA-N -1 3 399.497 3.915 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000561227492 933976373 /nfs/dbraw/zinc/97/63/73/933976373.db2.gz DXPDDFVCKNCDNB-INIZCTEOSA-N -1 3 397.258 3.511 20 0 GHADHM CC(C)c1nc(CN[C@H](Cc2ccc(Br)cc2)C(=O)[O-])cs1 ZINC001118027138 934080741 /nfs/dbraw/zinc/08/07/41/934080741.db2.gz RTAMRUXNZQGPIG-CQSZACIVSA-N -1 3 383.311 3.815 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(SC(C)C)cc2)s1 ZINC000561505317 934221345 /nfs/dbraw/zinc/22/13/45/934221345.db2.gz MUYVTVUEECVUNY-LLVKDONJSA-N -1 3 399.563 3.642 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Sc1ccccc1 ZINC000561518994 934235153 /nfs/dbraw/zinc/23/51/53/934235153.db2.gz MQDVQKKSBBSPSB-NSHDSACASA-N -1 3 376.425 3.560 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCO1 ZINC000561538051 934252713 /nfs/dbraw/zinc/25/27/13/934252713.db2.gz HYJBXQRKHDMPJB-GWCFXTLKSA-N -1 3 399.406 3.596 20 0 GHADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001119409663 934345056 /nfs/dbraw/zinc/34/50/56/934345056.db2.gz LMWYFJQVYGBGAW-ZDUSSCGKSA-N -1 3 394.431 3.549 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001121177842 934581335 /nfs/dbraw/zinc/58/13/35/934581335.db2.gz CTKWDMRYMAJZHJ-UHFFFAOYSA-N -1 3 376.338 3.963 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001121177842 934581339 /nfs/dbraw/zinc/58/13/39/934581339.db2.gz CTKWDMRYMAJZHJ-UHFFFAOYSA-N -1 3 376.338 3.963 20 0 GHADHM Cc1nc(CNC(=O)N=c2cc3ccccn3[n-]2)oc1-c1ccc(Cl)cc1 ZINC000562296162 934809966 /nfs/dbraw/zinc/80/99/66/934809966.db2.gz DFQPGUGUGFITIN-UHFFFAOYSA-N -1 3 381.823 3.695 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2csc(C(F)(F)F)c2)c1 ZINC001123004275 935053073 /nfs/dbraw/zinc/05/30/73/935053073.db2.gz PGXUYGQKCZJUQH-DEOSSOPVSA-N -1 3 378.393 3.627 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC001123571312 935227154 /nfs/dbraw/zinc/22/71/54/935227154.db2.gz QIHHYIHDGXVFGK-UHFFFAOYSA-N -1 3 380.444 3.509 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC001124047770 935335414 /nfs/dbraw/zinc/33/54/14/935335414.db2.gz DVMGAYDKCICGCA-MRXNPFEDSA-N -1 3 390.487 3.533 20 0 GHADHM COc1ccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1SC(F)(F)F ZINC000829426996 935809175 /nfs/dbraw/zinc/80/91/75/935809175.db2.gz SVSWASPMLCXXAN-NSHDSACASA-N -1 3 389.399 3.775 20 0 GHADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000830425000 935943278 /nfs/dbraw/zinc/94/32/78/935943278.db2.gz NHANYFPSUQOCEZ-LBPRGKRZSA-N -1 3 389.868 3.789 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC001573553651 946890489 /nfs/dbraw/zinc/89/04/89/946890489.db2.gz YZUMYHCETOXNQZ-ZDUSSCGKSA-N -1 3 385.427 3.965 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC001573553651 946890500 /nfs/dbraw/zinc/89/05/00/946890500.db2.gz YZUMYHCETOXNQZ-ZDUSSCGKSA-N -1 3 385.427 3.965 20 0 GHADHM CC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC001573554077 946893244 /nfs/dbraw/zinc/89/32/44/946893244.db2.gz LVMIZLZQHUPRRT-AWEZNQCLSA-N -1 3 394.431 3.775 20 0 GHADHM CC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC001573554077 946893259 /nfs/dbraw/zinc/89/32/59/946893259.db2.gz LVMIZLZQHUPRRT-AWEZNQCLSA-N -1 3 394.431 3.775 20 0 GHADHM CC(=O)c1ccc(F)cc1NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573556230 946923732 /nfs/dbraw/zinc/92/37/32/946923732.db2.gz MQTNPSJESMSXOY-UHFFFAOYSA-N -1 3 393.422 3.659 20 0 GHADHM CC(=O)c1ccc(F)cc1NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573556230 946923742 /nfs/dbraw/zinc/92/37/42/946923742.db2.gz MQTNPSJESMSXOY-UHFFFAOYSA-N -1 3 393.422 3.659 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573364112 947718648 /nfs/dbraw/zinc/71/86/48/947718648.db2.gz GAIUZGYUFFYEJA-YRNVUSSQSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573364112 947718655 /nfs/dbraw/zinc/71/86/55/947718655.db2.gz GAIUZGYUFFYEJA-YRNVUSSQSA-N -1 3 388.258 3.893 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001573364496 947719618 /nfs/dbraw/zinc/71/96/18/947719618.db2.gz HCEFXPHOSNIIPN-SAPNQHFASA-N -1 3 397.523 3.614 20 0 GHADHM C/C(=C\C1CCC(C)CC1)C(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001573364496 947719630 /nfs/dbraw/zinc/71/96/30/947719630.db2.gz HCEFXPHOSNIIPN-SAPNQHFASA-N -1 3 397.523 3.614 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001573367281 947758425 /nfs/dbraw/zinc/75/84/25/947758425.db2.gz ZBJPCMSRHOUYIG-ZRDIBKRKSA-N -1 3 378.411 3.622 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001540586996 948552742 /nfs/dbraw/zinc/55/27/42/948552742.db2.gz VQWHLGAUZRRHOZ-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001540586996 948552749 /nfs/dbraw/zinc/55/27/49/948552749.db2.gz VQWHLGAUZRRHOZ-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCc2ccc(F)cc21 ZINC001574082160 948850188 /nfs/dbraw/zinc/85/01/88/948850188.db2.gz BDDKINQRPJWRCR-RBUKOAKNSA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCc2ccc(F)cc21 ZINC001574082160 948850207 /nfs/dbraw/zinc/85/02/07/948850207.db2.gz BDDKINQRPJWRCR-RBUKOAKNSA-N -1 3 396.422 3.640 20 0 GHADHM CC(C)c1csc(NC(=O)NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001574424971 948867109 /nfs/dbraw/zinc/86/71/09/948867109.db2.gz ZDBLTUMCUJDSJU-UHFFFAOYSA-N -1 3 385.497 3.589 20 0 GHADHM CC(C)c1csc(NC(=O)NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001574424971 948867124 /nfs/dbraw/zinc/86/71/24/948867124.db2.gz ZDBLTUMCUJDSJU-UHFFFAOYSA-N -1 3 385.497 3.589 20 0 GHADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001574099167 949169370 /nfs/dbraw/zinc/16/93/70/949169370.db2.gz IQLKZCFSXXBDKE-AZUAARDMSA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001574099167 949169385 /nfs/dbraw/zinc/16/93/85/949169385.db2.gz IQLKZCFSXXBDKE-AZUAARDMSA-N -1 3 390.491 3.626 20 0 GHADHM CC(C)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001574100275 949191555 /nfs/dbraw/zinc/19/15/55/949191555.db2.gz STTJBNKNXKDPLE-GOSISDBHSA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001574100275 949191567 /nfs/dbraw/zinc/19/15/67/949191567.db2.gz STTJBNKNXKDPLE-GOSISDBHSA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)n1ccnc1C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001574463921 949390447 /nfs/dbraw/zinc/39/04/47/949390447.db2.gz BGBLDLUQNBAPEQ-UHFFFAOYSA-N -1 3 396.398 3.638 20 0 GHADHM CC(C)n1ccnc1C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001574463921 949390468 /nfs/dbraw/zinc/39/04/68/949390468.db2.gz BGBLDLUQNBAPEQ-UHFFFAOYSA-N -1 3 396.398 3.638 20 0 GHADHM C[C@@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001575264811 949437497 /nfs/dbraw/zinc/43/74/97/949437497.db2.gz QTRAMLFKTXLWRG-BRAIEQGRSA-N -1 3 393.394 3.838 20 0 GHADHM C[C@@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001575264811 949437512 /nfs/dbraw/zinc/43/75/12/949437512.db2.gz QTRAMLFKTXLWRG-BRAIEQGRSA-N -1 3 393.394 3.838 20 0 GHADHM CC(C)(C)CCCC(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001573845086 950214383 /nfs/dbraw/zinc/21/43/83/950214383.db2.gz QELKOILDBRYOAX-UHFFFAOYSA-N -1 3 385.237 3.890 20 0 GHADHM CC(C)(C)CCCC(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001573845086 950214398 /nfs/dbraw/zinc/21/43/98/950214398.db2.gz QELKOILDBRYOAX-UHFFFAOYSA-N -1 3 385.237 3.890 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574520807 950753881 /nfs/dbraw/zinc/75/38/81/950753881.db2.gz ZWPDJNZVSBIFRR-GXFFZTMASA-N -1 3 384.406 3.594 20 0 GHADHM C[C@@H](CC(C)(C)C)NC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574520807 950753896 /nfs/dbraw/zinc/75/38/96/950753896.db2.gz ZWPDJNZVSBIFRR-GXFFZTMASA-N -1 3 384.406 3.594 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001573881956 950760929 /nfs/dbraw/zinc/76/09/29/950760929.db2.gz LHOUGFOKKZGICX-UHFFFAOYSA-N -1 3 391.475 3.522 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001573881956 950760943 /nfs/dbraw/zinc/76/09/43/950760943.db2.gz LHOUGFOKKZGICX-UHFFFAOYSA-N -1 3 391.475 3.522 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001573882097 950770110 /nfs/dbraw/zinc/77/01/10/950770110.db2.gz RVKVCPNJSJRFSY-UHFFFAOYSA-N -1 3 391.475 3.522 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001573882097 950770130 /nfs/dbraw/zinc/77/01/30/950770130.db2.gz RVKVCPNJSJRFSY-UHFFFAOYSA-N -1 3 391.475 3.522 20 0 GHADHM CC(C)CCCCNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574194805 950959964 /nfs/dbraw/zinc/95/99/64/950959964.db2.gz AVMKGPWKAFTWME-CQSZACIVSA-N -1 3 384.406 3.596 20 0 GHADHM CC(C)CCCCNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574194805 950959984 /nfs/dbraw/zinc/95/99/84/950959984.db2.gz AVMKGPWKAFTWME-CQSZACIVSA-N -1 3 384.406 3.596 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC001575184774 952422520 /nfs/dbraw/zinc/42/25/20/952422520.db2.gz BYSHCRPYTNDNTO-QGZVFWFLSA-N -1 3 389.503 3.874 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC001575184774 952422528 /nfs/dbraw/zinc/42/25/28/952422528.db2.gz BYSHCRPYTNDNTO-QGZVFWFLSA-N -1 3 389.503 3.874 20 0 GHADHM C/C(Cl)=C\C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001575207182 952532185 /nfs/dbraw/zinc/53/21/85/952532185.db2.gz OJGWOVUJIMNBQL-UKTHLTGXSA-N -1 3 383.839 3.835 20 0 GHADHM C/C(Cl)=C\C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001575207182 952532187 /nfs/dbraw/zinc/53/21/87/952532187.db2.gz OJGWOVUJIMNBQL-UKTHLTGXSA-N -1 3 383.839 3.835 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cc(Br)ccc1Cl)O2 ZINC001594905167 954667341 /nfs/dbraw/zinc/66/73/41/954667341.db2.gz LNMJWQQHAQRYHF-ULKWEWGCSA-N -1 3 388.689 3.605 20 0 GHADHM Cc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1I ZINC001574329443 960867528 /nfs/dbraw/zinc/86/75/28/960867528.db2.gz BWDCTQOZWLDRKR-UHFFFAOYSA-N -1 3 381.213 3.588 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)N(C)C)cc1 ZINC001588906040 962273069 /nfs/dbraw/zinc/27/30/69/962273069.db2.gz GYCVZYIKCUBCCD-GOSISDBHSA-N -1 3 388.552 3.741 20 0 GHADHM O=C([O-])c1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1Cl ZINC000312139473 963538477 /nfs/dbraw/zinc/53/84/77/963538477.db2.gz LHAVWHWFXTXTMO-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM O=C([O-])C[C@H](Cc1ccccc1)NCc1cc(Br)cnc1Cl ZINC000843304099 979336610 /nfs/dbraw/zinc/33/66/10/979336610.db2.gz TXCPQYJLWLFZGY-AWEZNQCLSA-N -1 3 383.673 3.673 20 0 GHADHM CCC(CC)[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1cccs1 ZINC001595110293 979454494 /nfs/dbraw/zinc/45/44/94/979454494.db2.gz XEOGDRAPUNHXGP-INIZCTEOSA-N -1 3 381.523 3.537 20 0 GHADHM CC[C@H](NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595243102 980171965 /nfs/dbraw/zinc/17/19/65/980171965.db2.gz VTHKCYYVBFRTMI-WBVHZDCISA-N -1 3 380.916 3.730 20 0 GHADHM CC[C@@](NCc1ccnc(Br)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304863 980441206 /nfs/dbraw/zinc/44/12/06/980441206.db2.gz JPNRPUMJZNRSFM-INIZCTEOSA-N -1 3 383.673 3.977 20 0 GHADHM CCc1oc(CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cc1C(=O)[O-] ZINC000902496528 980910626 /nfs/dbraw/zinc/91/06/26/980910626.db2.gz YXPXEZWPIMXQCZ-USXIJHARSA-N -1 3 376.250 3.731 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595878630 982872165 /nfs/dbraw/zinc/87/21/65/982872165.db2.gz FIAIASPFOMEPEF-KRWDZBQOSA-N -1 3 375.513 3.680 20 0 GHADHM CCN(C(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC001596142739 983494907 /nfs/dbraw/zinc/49/49/07/983494907.db2.gz DPUISODVOUVUQK-ZLGUVYLKSA-N -1 3 398.478 3.535 20 0 GHADHM CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001596442619 984138803 /nfs/dbraw/zinc/13/88/03/984138803.db2.gz ZBIAXZBIXZKDGU-LSDHHAIUSA-N -1 3 389.471 3.671 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001626145131 1015040629 /nfs/dbraw/zinc/04/06/29/1015040629.db2.gz YGAJFSMOYRQZIR-HMXCVIKNSA-N -1 3 380.488 3.804 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CC34CCCCC4)cs2)c1 ZINC000544874779 1015135556 /nfs/dbraw/zinc/13/55/56/1015135556.db2.gz DJTJBOHMNCOVCA-KRWDZBQOSA-N -1 3 399.516 3.791 20 0 GHADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594537733 986162325 /nfs/dbraw/zinc/16/23/25/986162325.db2.gz JJYCFAPYPBOTIT-HIFRSBDPSA-N -1 3 380.460 3.507 20 0 GHADHM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC001589335032 986205564 /nfs/dbraw/zinc/20/55/64/986205564.db2.gz LLAIWPVOSHNWEP-MLGOLLRUSA-N -1 3 387.307 3.842 20 0 GHADHM C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001594575110 986410137 /nfs/dbraw/zinc/41/01/37/986410137.db2.gz HXJVTSNSMHXMCL-OAHLLOKOSA-N -1 3 379.435 3.783 20 0 GHADHM Cc1cc(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c(C)n1CCC1=CCCCC1 ZINC000468066814 1015219392 /nfs/dbraw/zinc/21/93/92/1015219392.db2.gz ZPPNJOJMWKRCLF-UHFFFAOYSA-N -1 3 389.883 3.794 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1OC(=O)CC ZINC001597035674 986473620 /nfs/dbraw/zinc/47/36/20/986473620.db2.gz NRAORZMWACCRRO-FQEVSTJZSA-N -1 3 389.423 3.764 20 0 GHADHM CCOc1cc(CN[C@](C)(C(=O)[O-])c2ccccc2)cc(Br)c1O ZINC001597035946 986474696 /nfs/dbraw/zinc/47/46/96/986474696.db2.gz RLXZHANGMBVGMT-SFHVURJKSA-N -1 3 394.265 3.643 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1 ZINC001597180023 987042114 /nfs/dbraw/zinc/04/21/14/987042114.db2.gz WYLVRKDUOUQFPG-YLJYHZDGSA-N -1 3 380.444 3.528 20 0 GHADHM CCS(=O)(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC001597234012 987194288 /nfs/dbraw/zinc/19/42/88/987194288.db2.gz LLRBNBVXCIXOID-HXUWFJFHSA-N -1 3 383.469 3.549 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001589616252 987477729 /nfs/dbraw/zinc/47/77/29/987477729.db2.gz QHFMZWHAPKDEFO-QGZVFWFLSA-N -1 3 375.900 3.908 20 0 GHADHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC001589627862 987524584 /nfs/dbraw/zinc/52/45/84/987524584.db2.gz QTDWAAHRDSBLLK-UHFFFAOYSA-N -1 3 381.432 3.599 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)N(C)C)cc1 ZINC001597513500 988111956 /nfs/dbraw/zinc/11/19/56/988111956.db2.gz WFRYLTMVGWSFJC-MGPUTAFESA-N -1 3 383.492 3.862 20 0 GHADHM CC(C)(C)OC(=O)[C@@](C)(CNCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001589845267 988360996 /nfs/dbraw/zinc/36/09/96/988360996.db2.gz XADIWHCUPHEZQG-QFIPXVFZSA-N -1 3 387.451 3.913 20 0 GHADHM CCc1nc(C2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)n[nH]1 ZINC001597664048 988747145 /nfs/dbraw/zinc/74/71/45/988747145.db2.gz XXPXUULUSLZARQ-OAHLLOKOSA-N -1 3 383.279 3.679 20 0 GHADHM CCc1n[nH]c(C2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)n1 ZINC001597664048 988747158 /nfs/dbraw/zinc/74/71/58/988747158.db2.gz XXPXUULUSLZARQ-OAHLLOKOSA-N -1 3 383.279 3.679 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590025842 989020305 /nfs/dbraw/zinc/02/03/05/989020305.db2.gz MDVIBOTWIXDWMN-LAUBAEHRSA-N -1 3 392.471 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590025841 989020643 /nfs/dbraw/zinc/02/06/43/989020643.db2.gz MDVIBOTWIXDWMN-DYESRHJHSA-N -1 3 392.471 3.817 20 0 GHADHM CCc1oc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)cc1C(=O)[O-] ZINC001597796814 989357581 /nfs/dbraw/zinc/35/75/81/989357581.db2.gz TVPVIZFFQDHXDX-BBRMVZONSA-N -1 3 380.485 3.665 20 0 GHADHM CCc1oc(CN[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597799862 989387337 /nfs/dbraw/zinc/38/73/37/989387337.db2.gz UYFYJBUECCNYCT-OXQOHEQNSA-N -1 3 378.469 3.562 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001590184688 989532930 /nfs/dbraw/zinc/53/29/30/989532930.db2.gz JZKYBUDLWPZBRN-AWEZNQCLSA-N -1 3 380.460 3.651 20 0 GHADHM CCc1cc(=O)[n-]c(CN(C[C@@H](O)COc2cccc3ccccc32)C(C)C)n1 ZINC000468265828 1015526779 /nfs/dbraw/zinc/52/67/79/1015526779.db2.gz HITACIHMBPKNPX-LJQANCHMSA-N -1 3 395.503 3.548 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cc(Br)ccc2OC)n1 ZINC000468266084 1015526920 /nfs/dbraw/zinc/52/69/20/1015526920.db2.gz JEHXRXYQMKZASQ-HNNXBMFYSA-N -1 3 392.297 3.853 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(Cl)cc1 ZINC001598203390 990830080 /nfs/dbraw/zinc/83/00/80/990830080.db2.gz UVOOWYROBSPZFT-CQSZACIVSA-N -1 3 397.809 3.741 20 0 GHADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598229792 990930451 /nfs/dbraw/zinc/93/04/51/990930451.db2.gz WXOGQIJRKKEXOO-UHFFFAOYSA-N -1 3 398.488 3.590 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001598246842 991010382 /nfs/dbraw/zinc/01/03/82/991010382.db2.gz BOVOERMGUJOTJF-UHFFFAOYSA-N -1 3 387.461 3.565 20 0 GHADHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001590982329 991148793 /nfs/dbraw/zinc/14/87/93/991148793.db2.gz JXUWFVRSQVKMKK-IBGZPJMESA-N -1 3 388.895 3.925 20 0 GHADHM CC(C)CNC(=O)C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001591369084 992394891 /nfs/dbraw/zinc/39/48/91/992394891.db2.gz IAXRYOQQZLUSPY-UHFFFAOYSA-N -1 3 384.476 3.629 20 0 GHADHM O=C1N(CCC(F)(F)F)CCC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001277154931 1032126137 /nfs/dbraw/zinc/12/61/37/1032126137.db2.gz JWXPZYYVJNCGGI-UHFFFAOYSA-N -1 3 390.833 3.813 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC001593081839 993667252 /nfs/dbraw/zinc/66/72/52/993667252.db2.gz FAVNVUVVXGLDTK-VDGAXYAQSA-N -1 3 397.519 3.829 20 0 GHADHM C[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001593109221 993771388 /nfs/dbraw/zinc/77/13/88/993771388.db2.gz KLZNQNMDKAVCJO-ORAYPTAESA-N -1 3 380.448 3.679 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000468560208 1015805757 /nfs/dbraw/zinc/80/57/57/1015805757.db2.gz MPCISUZZZOOBBA-UHFFFAOYSA-N -1 3 390.886 3.852 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001593117612 993816552 /nfs/dbraw/zinc/81/65/52/993816552.db2.gz PWYJHFCIDZXKNV-SJCJKPOMSA-N -1 3 375.856 3.851 20 0 GHADHM COc1ccc(SCCN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC001599619212 994058422 /nfs/dbraw/zinc/05/84/22/994058422.db2.gz ITDFIYYZMSDEPJ-MRXNPFEDSA-N -1 3 386.517 3.696 20 0 GHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593194147 994129537 /nfs/dbraw/zinc/12/95/37/994129537.db2.gz AJBYUUZRLRCUTL-JLTOFOAXSA-N -1 3 393.418 3.950 20 0 GHADHM C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1OCC(=O)[O-] ZINC001593209484 994237818 /nfs/dbraw/zinc/23/78/18/994237818.db2.gz MFGCMSUOWUZGPE-FPTDNZKUSA-N -1 3 383.444 3.723 20 0 GHADHM COc1cccc(-c2nc(CN[C@H]3CCCC[C@H]3C(=O)[O-])cs2)c1OC ZINC001599639096 994332376 /nfs/dbraw/zinc/33/23/76/994332376.db2.gz JYNMUMNYLYLAEI-HIFRSBDPSA-N -1 3 376.478 3.560 20 0 GHADHM COc1cccc(-c2nc(CN[C@@](C)(Cc3ccc(F)cc3)C(=O)[O-])co2)c1 ZINC001599639713 994339906 /nfs/dbraw/zinc/33/99/06/994339906.db2.gz YHEPOTKDQMZVCQ-NRFANRHFSA-N -1 3 384.407 3.665 20 0 GHADHM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC001593232999 994390128 /nfs/dbraw/zinc/39/01/28/994390128.db2.gz YMUYSUGZNFACRE-RDTXWAMCSA-N -1 3 394.496 3.590 20 0 GHADHM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC001599649856 994480317 /nfs/dbraw/zinc/48/03/17/994480317.db2.gz ILXHBMVHPOCPHB-LJQANCHMSA-N -1 3 385.460 3.908 20 0 GHADHM COc1cccc([C@H](C(=O)[O-])N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC001599651117 994501863 /nfs/dbraw/zinc/50/18/63/994501863.db2.gz SLJFMUXHXOGBNA-LJQANCHMSA-N -1 3 389.398 3.694 20 0 GHADHM COc1cccc([C@@H](O)C2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599660369 994646514 /nfs/dbraw/zinc/64/65/14/994646514.db2.gz RNUQURPADAQEFF-UXHICEINSA-N -1 3 389.879 3.920 20 0 GHADHM C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1ccccc1OCC(=O)[O-] ZINC001593366541 995050857 /nfs/dbraw/zinc/05/08/57/995050857.db2.gz YTRQDARXERGWOV-MRXNPFEDSA-N -1 3 386.517 3.872 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1)C(=O)[O-] ZINC001593617455 995851979 /nfs/dbraw/zinc/85/19/79/995851979.db2.gz IQIGFFSBEZPMST-RDTXWAMCSA-N -1 3 375.490 3.594 20 0 GHADHM C[C@@H](Oc1ccccc1CNC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001593644736 995965045 /nfs/dbraw/zinc/96/50/45/995965045.db2.gz CUCLLSDLGDLCKT-BDJLRTHQSA-N -1 3 384.259 3.669 20 0 GHADHM C[C@H](Oc1ccccc1CNC[C@H](O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001593646885 995989812 /nfs/dbraw/zinc/98/98/12/995989812.db2.gz XHIIYBPLCPJYSN-ZBEGNZNMSA-N -1 3 384.259 3.669 20 0 GHADHM C[C@@H](c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1)N1CCOCC1 ZINC000468781276 1016026677 /nfs/dbraw/zinc/02/66/77/1016026677.db2.gz BNNIZRHXCDVQJH-INIZCTEOSA-N -1 3 386.467 3.886 20 0 GHADHM COc1ccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC(F)F ZINC000468787992 1016031115 /nfs/dbraw/zinc/03/11/15/1016031115.db2.gz BXCBIZWZGLNHDN-UHFFFAOYSA-N -1 3 397.393 3.823 20 0 GHADHM C[C@@]1(C(=O)[O-])CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001593775757 996472678 /nfs/dbraw/zinc/47/26/78/996472678.db2.gz AGHWFEKFADGXJD-VQIMIIECSA-N -1 3 399.318 3.844 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2C)cc(Br)c1OC ZINC001599414609 997482886 /nfs/dbraw/zinc/48/28/86/997482886.db2.gz KAVSVRKHAWAVAH-INIZCTEOSA-N -1 3 394.265 3.690 20 0 GHADHM COc1cc(CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)ccc1OC(F)F ZINC001599415341 997497374 /nfs/dbraw/zinc/49/73/74/997497374.db2.gz ACZHOQSFAFOGHT-IBGZPJMESA-N -1 3 383.366 3.915 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1Br ZINC000468872986 1016148551 /nfs/dbraw/zinc/14/85/51/1016148551.db2.gz HYXFCTKBTBADQH-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM COC(=O)c1cc(NC(=O)CN(CC(C)(C)C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598941093 997974178 /nfs/dbraw/zinc/97/41/78/997974178.db2.gz VALPGTUGYNERAB-UHFFFAOYSA-N -1 3 392.496 3.504 20 0 GHADHM COc1ccc(CCN(Cc2nc(C(=O)[O-])cs2)CC(C)C)cc1OC ZINC001599555139 998076854 /nfs/dbraw/zinc/07/68/54/998076854.db2.gz CKDYYODTGXHJHF-UHFFFAOYSA-N -1 3 378.494 3.559 20 0 GHADHM COc1cc(OC)cc(N2CCCN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)c1 ZINC001599454658 998167400 /nfs/dbraw/zinc/16/74/00/998167400.db2.gz MROWRAVQKPAUHI-HNNXBMFYSA-N -1 3 388.464 3.577 20 0 GHADHM COc1ccc(-n2c(CN3C[C@H](C)[C@@](C)(C(=O)[O-])C3)nc3ccccc32)cc1 ZINC001599473937 998496438 /nfs/dbraw/zinc/49/64/38/998496438.db2.gz TYEOOKOUMDUYQC-NYHFZMIOSA-N -1 3 379.460 3.577 20 0 GHADHM COC(=O)c1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001598971272 998518700 /nfs/dbraw/zinc/51/87/00/998518700.db2.gz ADNKLLKBYCCFFH-INIZCTEOSA-N -1 3 381.350 3.750 20 0 GHADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1NCc1c(F)c(F)c(Br)c(F)c1F ZINC001594185761 998719531 /nfs/dbraw/zinc/71/95/31/998719531.db2.gz RTZZHPHJBBSOAN-BHNWBGBOSA-N -1 3 398.194 3.985 20 0 GHADHM COC(=O)c1cccc([C@@H](C(=O)[O-])N(C)Cc2ccccc2C(F)(F)F)c1 ZINC001598996347 998783323 /nfs/dbraw/zinc/78/33/23/998783323.db2.gz NNDQNNJFDPVGQO-INIZCTEOSA-N -1 3 381.350 3.750 20 0 GHADHM CC1CCN([C@@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2cccs2)CC1 ZINC001594421784 999570586 /nfs/dbraw/zinc/57/05/86/999570586.db2.gz BNBQWSIONQXHEM-BBWFWOEESA-N -1 3 378.538 3.528 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000469110676 1016500388 /nfs/dbraw/zinc/50/03/88/1016500388.db2.gz BNDHXRDOHNFLQG-GOSISDBHSA-N -1 3 391.414 3.804 20 0 GHADHM CC(=O)Nc1ccc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2c1 ZINC000469130139 1016533026 /nfs/dbraw/zinc/53/30/26/1016533026.db2.gz YBJMFZQYEJHFRT-UHFFFAOYSA-N -1 3 379.401 3.557 20 0 GHADHM COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)c1c([O-])cnc2ccc(C)cc21 ZINC001154530367 1032166932 /nfs/dbraw/zinc/16/69/32/1032166932.db2.gz GXNFGSFESGINMP-INIZCTEOSA-N -1 3 392.455 3.843 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001226901319 1032184731 /nfs/dbraw/zinc/18/47/31/1032184731.db2.gz FNKISHJWYHVZHH-KGLIPLIRSA-N -1 3 381.402 3.739 20 0 GHADHM COc1ccc2cc([O-])c(C(=O)N3CCN4CCc5ccccc5[C@@H]4C3)cc2c1 ZINC001154753647 1032271937 /nfs/dbraw/zinc/27/19/37/1032271937.db2.gz QAMCWMLPDANTMJ-QFIPXVFZSA-N -1 3 388.467 3.609 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154803580 1032291023 /nfs/dbraw/zinc/29/10/23/1032291023.db2.gz KMHBYGUUDPXZCD-UHFFFAOYSA-N -1 3 380.473 3.730 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1cc(F)cc(F)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001154886239 1032326776 /nfs/dbraw/zinc/32/67/76/1032326776.db2.gz SSDCXDOANIONNJ-HNNXBMFYSA-N -1 3 388.336 3.722 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)/C=C/[C@]3(C)CC[C@@H](C)C3(C)C)C2)n1 ZINC001155148021 1032435764 /nfs/dbraw/zinc/43/57/64/1032435764.db2.gz GNJFQJLTJDKJFN-RRLXYEHLSA-N -1 3 386.540 3.594 20 0 GHADHM O=C(Nc1n[nH]c2ccc(Br)cc21)c1nc2nc(Cl)ccc2[n-]1 ZINC001155171263 1032443536 /nfs/dbraw/zinc/44/35/36/1032443536.db2.gz RQICLLMTIXKQJD-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM O=C(Nc1n[nH]c2ccc(Br)cc21)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155171263 1032443541 /nfs/dbraw/zinc/44/35/41/1032443541.db2.gz RQICLLMTIXKQJD-UHFFFAOYSA-N -1 3 391.616 3.502 20 0 GHADHM O=c1cc(O[C@H]2COCc3cc(Br)cnc32)[n-]c(C(F)(F)F)c1 ZINC001227585734 1032474030 /nfs/dbraw/zinc/47/40/30/1032474030.db2.gz DKSHLDGPERJGHU-JTQLQIEISA-N -1 3 391.143 3.614 20 0 GHADHM O=c1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3Cc2ccccc2)[n-]c(C(F)(F)F)c1 ZINC001227583976 1032472708 /nfs/dbraw/zinc/47/27/08/1032472708.db2.gz OYUFBQRVPLBPAJ-IAOVAPTHSA-N -1 3 392.377 3.559 20 0 GHADHM S=c1nc2nc[n-]c2c(O[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC001227615800 1032487080 /nfs/dbraw/zinc/48/70/80/1032487080.db2.gz GPBNEIWGZWKXCJ-JTQLQIEISA-N -1 3 396.303 3.602 20 0 GHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000777608074 1017317221 /nfs/dbraw/zinc/31/72/21/1017317221.db2.gz OCBLQCWYTZIUSL-HUUCEWRRSA-N -1 3 392.496 3.803 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000559141568 1017372887 /nfs/dbraw/zinc/37/28/87/1017372887.db2.gz OZGOZNSKLPFWME-STQMWFEESA-N -1 3 386.336 3.901 20 0 GHADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)c([O-])c1 ZINC000928944881 1017579959 /nfs/dbraw/zinc/57/99/59/1017579959.db2.gz HVTGHXSAFUAEMY-CQSZACIVSA-N -1 3 376.254 3.621 20 0 GHADHM Cc1cc(OCCOC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1C(C)C ZINC000928979963 1017583091 /nfs/dbraw/zinc/58/30/91/1017583091.db2.gz BIUFKZNVSBFKQV-UHFFFAOYSA-N -1 3 391.489 3.726 20 0 GHADHM CCOC(=O)c1cccc([C@@H](Oc2[n-]c(=O)nc3cccnc32)C(F)(F)F)c1 ZINC001228005367 1032734819 /nfs/dbraw/zinc/73/48/19/1032734819.db2.gz PRLYTBXEJKVAAE-CQSZACIVSA-N -1 3 393.321 3.590 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2[n-]c(=O)nc3cccnc32)C1 ZINC001228003801 1032735314 /nfs/dbraw/zinc/73/53/14/1032735314.db2.gz FQPOGRQNYBRZJH-INIZCTEOSA-N -1 3 394.431 3.601 20 0 GHADHM O=C([N-]c1nnc(-c2ccco2)o1)c1cc2cc(Br)cnc2s1 ZINC001155870986 1032754014 /nfs/dbraw/zinc/75/40/14/1032754014.db2.gz ZFGFVFHZINRAPK-UHFFFAOYSA-N -1 3 391.206 3.954 20 0 GHADHM C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cc1 ZINC000562564051 1018322923 /nfs/dbraw/zinc/32/29/23/1018322923.db2.gz KEHKOIGUAICFHL-CYBMUJFWSA-N -1 3 381.407 3.797 20 0 GHADHM O=c1cc(CNc2ccccc2N2CCC(CO)CC2)nc(-c2ccccc2)[n-]1 ZINC000562794869 1018650919 /nfs/dbraw/zinc/65/09/19/1018650919.db2.gz QAJKNUPHNNLZJV-UHFFFAOYSA-N -1 3 390.487 3.670 20 0 GHADHM C[C@@]1(Cc2ccc(Cl)s2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000932918225 1018751811 /nfs/dbraw/zinc/75/18/11/1018751811.db2.gz GSPWOALMIFKBGY-SFHVURJKSA-N -1 3 379.913 3.567 20 0 GHADHM CN(C[C@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566359537 1019221372 /nfs/dbraw/zinc/22/13/72/1019221372.db2.gz YBADVFREZDGMDW-WMLDXEAASA-N -1 3 382.243 3.891 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000158751130 1020025417 /nfs/dbraw/zinc/02/54/17/1020025417.db2.gz SOZALCVCIYQCBV-CQSZACIVSA-N -1 3 385.251 3.818 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001204464752 1032905052 /nfs/dbraw/zinc/90/50/52/1032905052.db2.gz OEYDQNYWUJMPLI-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H](C)C1(F)F ZINC000628393403 1020699090 /nfs/dbraw/zinc/69/90/90/1020699090.db2.gz HDFMFHLDAFZWAV-AOOOYVTPSA-N -1 3 399.235 3.654 20 0 GHADHM O=c1[n-]nc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)n1CCc1ccccc1 ZINC000629099723 1020749892 /nfs/dbraw/zinc/74/98/92/1020749892.db2.gz GXRHIRHNJQAQFV-QZTJIDSGSA-N -1 3 382.489 3.634 20 0 GHADHM COc1cc(F)cc(OC)c1CNC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000630452177 1020823973 /nfs/dbraw/zinc/82/39/73/1020823973.db2.gz VYTQBKQIWPJEHB-CYBMUJFWSA-N -1 3 381.831 3.529 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCC[C@H]1C1OCCO1 ZINC000094085336 1021098382 /nfs/dbraw/zinc/09/83/82/1021098382.db2.gz RJJBQUHHJURBOT-FQEVSTJZSA-N -1 3 381.472 3.545 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001156285799 1032958628 /nfs/dbraw/zinc/95/86/28/1032958628.db2.gz ZIWQLNBGJOEUOM-NSHDSACASA-N -1 3 397.529 3.832 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](c2noc(Cc3ccc([O-])c(F)c3)n2)C1 ZINC000834471170 1021210894 /nfs/dbraw/zinc/21/08/94/1021210894.db2.gz QFYPHUAIRQRIMU-ZDUSSCGKSA-N -1 3 377.416 3.620 20 0 GHADHM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001228553889 1032984346 /nfs/dbraw/zinc/98/43/46/1032984346.db2.gz FFMRIWPEGUTFNE-HNNXBMFYSA-N -1 3 375.852 3.997 20 0 GHADHM Cc1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(Br)c1 ZINC000903925364 1021658051 /nfs/dbraw/zinc/65/80/51/1021658051.db2.gz STICJTNKJYWQFT-GFCCVEGCSA-N -1 3 381.295 3.902 20 0 GHADHM Cc1[nH]c(CN(C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001140496613 1021866238 /nfs/dbraw/zinc/86/62/38/1021866238.db2.gz KLIRRIVIORXPJG-INIZCTEOSA-N -1 3 391.512 3.694 20 0 GHADHM Cc1[nH]c(CN(C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001140496431 1021866487 /nfs/dbraw/zinc/86/64/87/1021866487.db2.gz FVKDVIFXJMQROM-FQEVSTJZSA-N -1 3 379.501 3.551 20 0 GHADHM Cc1[nH]c(CN(C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001140496432 1021867106 /nfs/dbraw/zinc/86/71/06/1021867106.db2.gz FVKDVIFXJMQROM-HXUWFJFHSA-N -1 3 379.501 3.551 20 0 GHADHM C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cccc([O-])c1Br ZINC001140547778 1021949131 /nfs/dbraw/zinc/94/91/31/1021949131.db2.gz NVHCLLYGZXSZKY-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM O=C1CCC2(CCN(Cc3cccc([O-])c3Br)CC2)N1CC1CC1 ZINC001140550429 1021951598 /nfs/dbraw/zinc/95/15/98/1021951598.db2.gz FPUKLGOBTYDAKJ-UHFFFAOYSA-N -1 3 393.325 3.522 20 0 GHADHM CCOC[C@H]1CN(Cc2cccc([O-])c2Br)Cc2cn(CC)nc21 ZINC001140551254 1021952487 /nfs/dbraw/zinc/95/24/87/1021952487.db2.gz RJPVYMNBIFBUGL-OAHLLOKOSA-N -1 3 394.313 3.507 20 0 GHADHM CCOC[C@H]1CN(Cc2cccc([O-])c2Br)Cc2cnn(CC)c21 ZINC001140550752 1021952560 /nfs/dbraw/zinc/95/25/60/1021952560.db2.gz ZSOQSTFQJMJIOV-OAHLLOKOSA-N -1 3 394.313 3.507 20 0 GHADHM Cc1cc(F)ccc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140552235 1021955050 /nfs/dbraw/zinc/95/50/50/1021955050.db2.gz BTRDATDUOCCYKG-UHFFFAOYSA-N -1 3 379.273 3.924 20 0 GHADHM CCN(CCN(C)C(=O)OC(C)(C)C)Cc1cccc([O-])c1Br ZINC001140553259 1021956578 /nfs/dbraw/zinc/95/65/78/1021956578.db2.gz XMAQRKJAZRJTAS-UHFFFAOYSA-N -1 3 387.318 3.844 20 0 GHADHM Cc1ccnc(OC2CCN(Cc3cccc([O-])c3Br)CC2)c1 ZINC001140555632 1021959767 /nfs/dbraw/zinc/95/97/67/1021959767.db2.gz PXFOPQCQMXWKEV-UHFFFAOYSA-N -1 3 377.282 3.902 20 0 GHADHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1Cl ZINC000680106838 1022093907 /nfs/dbraw/zinc/09/39/07/1022093907.db2.gz BWKHAIFQKOCXFW-NSHDSACASA-N -1 3 380.199 3.684 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1nnc(-c2ccncc2)[n-]1)c1ccccc1 ZINC001228698416 1033052821 /nfs/dbraw/zinc/05/28/21/1033052821.db2.gz XYUVGOZGXPXHMF-LJQANCHMSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1nc(-c2ccncc2)n[n-]1)c1ccccc1 ZINC001228698416 1033052831 /nfs/dbraw/zinc/05/28/31/1033052831.db2.gz XYUVGOZGXPXHMF-LJQANCHMSA-N -1 3 386.411 3.730 20 0 GHADHM O=C(OCc1ccccc1)[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228698416 1033052844 /nfs/dbraw/zinc/05/28/44/1033052844.db2.gz XYUVGOZGXPXHMF-LJQANCHMSA-N -1 3 386.411 3.730 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000754269925 1022573067 /nfs/dbraw/zinc/57/30/67/1022573067.db2.gz RFNSXKWAMQVTJG-SOFGYWHQSA-N -1 3 385.308 3.979 20 0 GHADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1scnc1Br ZINC000754347252 1022634615 /nfs/dbraw/zinc/63/46/15/1022634615.db2.gz IXSAGOFORZDHRC-UHFFFAOYSA-N -1 3 387.280 3.883 20 0 GHADHM Cc1occc1-c1nnc(SCc2nc(C)cc(=O)[n-]2)n1Cc1ccccc1 ZINC000754451736 1022713583 /nfs/dbraw/zinc/71/35/83/1022713583.db2.gz QZAXMCKWNZFBRT-UHFFFAOYSA-N -1 3 393.472 3.991 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCCCC2)cc1OC ZINC000836238493 1022756346 /nfs/dbraw/zinc/75/63/46/1022756346.db2.gz NIXSKKWRPVOFRS-UHFFFAOYSA-N -1 3 383.514 3.645 20 0 GHADHM COc1ccc(CCC(=O)[N-]OCc2ccc(F)cc2)cc1Br ZINC000754721091 1022857416 /nfs/dbraw/zinc/85/74/16/1022857416.db2.gz SBOYUOTWLSMDLS-UHFFFAOYSA-N -1 3 382.229 3.777 20 0 GHADHM CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)Cc1ccc(C(=O)[O-])o1 ZINC001140947656 1022962669 /nfs/dbraw/zinc/96/26/69/1022962669.db2.gz ZLTYOCKGUDEUHE-XCRHUMRWSA-N -1 3 383.485 3.571 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(COCc2ccccc2)cc1 ZINC000836426454 1022964069 /nfs/dbraw/zinc/96/40/69/1022964069.db2.gz KWGCRVZYAYAJLY-UHFFFAOYSA-N -1 3 386.448 3.798 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000836426454 1022964071 /nfs/dbraw/zinc/96/40/71/1022964071.db2.gz KWGCRVZYAYAJLY-UHFFFAOYSA-N -1 3 386.448 3.798 20 0 GHADHM O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)C1 ZINC001140988621 1023092991 /nfs/dbraw/zinc/09/29/91/1023092991.db2.gz GAROCLPHBWHOCW-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM O=C(c1ccco1)N1CCCC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140988723 1023093216 /nfs/dbraw/zinc/09/32/16/1023093216.db2.gz JRDGWYYPYAXJTL-UHFFFAOYSA-N -1 3 376.403 3.534 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)ccc1I ZINC000836696365 1023266005 /nfs/dbraw/zinc/26/60/05/1023266005.db2.gz IUTKABKEKNCLGZ-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)ccc1I ZINC000836696365 1023266013 /nfs/dbraw/zinc/26/60/13/1023266013.db2.gz IUTKABKEKNCLGZ-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccccc1 ZINC000756384428 1023622806 /nfs/dbraw/zinc/62/28/06/1023622806.db2.gz PFVBITPRWWQHFJ-RDTXWAMCSA-N -1 3 385.464 3.980 20 0 GHADHM CC(C)(C)[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)OCc1ccccc1 ZINC000756750535 1023798885 /nfs/dbraw/zinc/79/88/85/1023798885.db2.gz YBBDWVAPLNVHPJ-CYBMUJFWSA-N -1 3 382.432 3.509 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2csc(C(C)(C)O)n2)c([O-])c1 ZINC000837074084 1023993441 /nfs/dbraw/zinc/99/34/41/1023993441.db2.gz NIENIJPQDWKJPN-UHFFFAOYSA-N -1 3 378.494 3.527 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000830697324 1024084768 /nfs/dbraw/zinc/08/47/68/1024084768.db2.gz IAQUVKFIFNTCCO-DNVCBOLYSA-N -1 3 375.465 3.982 20 0 GHADHM O=C(C[C@@H](n1cccn1)C(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000830753169 1024131968 /nfs/dbraw/zinc/13/19/68/1024131968.db2.gz KBJNOHGWRMTMBU-GFCCVEGCSA-N -1 3 381.276 3.643 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000830762673 1024136590 /nfs/dbraw/zinc/13/65/90/1024136590.db2.gz UUIGRODZHBVANQ-UHFFFAOYSA-N -1 3 394.859 3.963 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000831395887 1024539515 /nfs/dbraw/zinc/53/95/15/1024539515.db2.gz ZTLGZHYUIOTBAP-VFNWGFHPSA-N -1 3 384.407 3.519 20 0 GHADHM CCO[C@@H](C)c1ncc(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000837553521 1024549341 /nfs/dbraw/zinc/54/93/41/1024549341.db2.gz ZJGQBKCFEREJLM-LBPRGKRZSA-N -1 3 385.445 3.760 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001138296253 1024574918 /nfs/dbraw/zinc/57/49/18/1024574918.db2.gz WEOUBEPWYAISNF-WCQYABFASA-N -1 3 377.282 3.989 20 0 GHADHM Cc1ccc(F)c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1Br ZINC000837675499 1024626582 /nfs/dbraw/zinc/62/65/82/1024626582.db2.gz BHDMWUGKSDVOOV-UHFFFAOYSA-N -1 3 381.201 3.627 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000837786723 1024710505 /nfs/dbraw/zinc/71/05/05/1024710505.db2.gz DOQXXIGAQTYIJL-HXUWFJFHSA-N -1 3 375.415 3.819 20 0 GHADHM C[C@H]1CCN(C(=O)COC(=O)Cc2ccc([O-])c(F)c2)c2ccccc2S1 ZINC000838142071 1024943126 /nfs/dbraw/zinc/94/31/26/1024943126.db2.gz UVJWZFVYFXYPII-ZDUSSCGKSA-N -1 3 389.448 3.535 20 0 GHADHM O=C(Nc1cc2c(cn1)CCCC2)c1c[n-]c2ccc(Br)cc2c1=O ZINC001141443032 1025068316 /nfs/dbraw/zinc/06/83/16/1025068316.db2.gz WWSUOKDUPFASST-UHFFFAOYSA-N -1 3 398.260 3.817 20 0 GHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001141516418 1025361138 /nfs/dbraw/zinc/36/11/38/1025361138.db2.gz JSXKDOFRIFVSEV-GOSISDBHSA-N -1 3 392.846 3.766 20 0 GHADHM CCN(Cc1ccccc1F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141522046 1025377872 /nfs/dbraw/zinc/37/78/72/1025377872.db2.gz XPQDTPQJIHBLHP-UHFFFAOYSA-N -1 3 384.860 3.513 20 0 GHADHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097542 1033276759 /nfs/dbraw/zinc/27/67/59/1033276759.db2.gz TUDITPQEWMHVMV-VXGBXAGGSA-N -1 3 377.275 3.849 20 0 GHADHM Cc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1-n1cnnn1 ZINC001141549667 1025493479 /nfs/dbraw/zinc/49/34/79/1025493479.db2.gz SZUUDDCTGJPTAQ-UHFFFAOYSA-N -1 3 399.454 3.714 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000839014584 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O=C1S/C(=C\c2cccs2)C(=O)N1Cc1nnc(-c2ccccc2[O-])o1 ZINC001165471962 1026735750 /nfs/dbraw/zinc/73/57/50/1026735750.db2.gz ZRSIEQHNFLBELT-JYRVWZFOSA-N -1 3 385.426 3.740 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1Cl ZINC001210006087 1027311296 /nfs/dbraw/zinc/31/12/96/1027311296.db2.gz FKJJEYLHWOKRBD-UHFFFAOYSA-N -1 3 389.260 3.538 20 0 GHADHM O=S(=O)(C[C@H]1CC2(CCC2)CO1)[N-]C(c1cccs1)c1cccs1 ZINC001210009936 1027313205 /nfs/dbraw/zinc/31/32/05/1027313205.db2.gz HDWHXLMLCSDBHS-CYBMUJFWSA-N -1 3 383.560 3.778 20 0 GHADHM Nc1cc(S(=O)(=O)c2ccc([O-])c(NC3=CCC(F)(F)CC3)c2)ccc1O ZINC001210035767 1027324527 /nfs/dbraw/zinc/32/45/27/1027324527.db2.gz QNGGLSYDIYHMPR-UHFFFAOYSA-N -1 3 396.415 3.628 20 0 GHADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001210131747 1027351861 /nfs/dbraw/zinc/35/18/61/1027351861.db2.gz QNHHJMLFYHJUQJ-UWVGGRQHSA-N -1 3 382.295 3.700 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001210592999 1027567895 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20 0 GHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccccc1OCC(C)C)OCC ZINC001213251792 1028070893 /nfs/dbraw/zinc/07/08/93/1028070893.db2.gz ICHNTRCUXAGAMY-UHFFFAOYSA-N -1 3 375.469 3.902 20 0 GHADHM COc1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1Br ZINC001213258742 1028074389 /nfs/dbraw/zinc/07/43/89/1028074389.db2.gz FVODBQDRBHAYEN-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM Cn1cc2c(n1)CN(Cc1c(Cl)cc([O-])cc1Cl)C[C@H]2COCC1CC1 ZINC001142109517 1028129637 /nfs/dbraw/zinc/12/96/37/1028129637.db2.gz SQXMRTGIYWVDSK-ZDUSSCGKSA-N -1 3 396.318 3.959 20 0 GHADHM O=C(NC1CCC1)[C@H]1C[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@H]2C1 ZINC001142111211 1028140388 /nfs/dbraw/zinc/14/03/88/1028140388.db2.gz DFOKMRKZRAWMLS-XYYAHUGASA-N -1 3 383.319 3.826 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCN(c3cccc4c3OCCO4)CC2)c(Cl)c1 ZINC001142114575 1028155136 /nfs/dbraw/zinc/15/51/36/1028155136.db2.gz JTCGPTGBQCKBNU-UHFFFAOYSA-N -1 3 395.286 3.792 20 0 GHADHM O=S(=O)([N-][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(Cl)cc1C(F)(F)F ZINC001213450672 1028198587 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GHADHM COC[C@H]([N-]S(=O)(=O)c1ccc2sc(Cl)nc2c1)c1ccc(C)o1 ZINC000841500557 1028700901 /nfs/dbraw/zinc/70/09/01/1028700901.db2.gz JZRVZNLQWGISFD-LBPRGKRZSA-N -1 3 386.882 3.517 20 0 GHADHM CCOC(=O)c1nnn(Cc2ccccc2)c1Nc1c(Cl)ccc([O-])c1F ZINC001214556345 1028791762 /nfs/dbraw/zinc/79/17/62/1028791762.db2.gz PYJYKNLYPLTNOK-UHFFFAOYSA-N -1 3 390.802 3.745 20 0 GHADHM COC(=O)c1ccc(N2CCOCC2)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214564699 1028794216 /nfs/dbraw/zinc/79/42/16/1028794216.db2.gz KQUOQXPGYMXZGO-UHFFFAOYSA-N -1 3 380.803 3.552 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H](CC(F)F)C(=O)[O-] ZINC000841807283 1028954303 /nfs/dbraw/zinc/95/43/03/1028954303.db2.gz PQTLZGDWWHWWCR-CYBMUJFWSA-N -1 3 392.233 3.745 20 0 GHADHM O=C([O-])[C@H](NCc1sc(Sc2ccccc2)nc1Cl)[C@H]1CCOC1 ZINC000841808192 1028957357 /nfs/dbraw/zinc/95/73/57/1028957357.db2.gz ZHJBOOLMJCOYPZ-GXFFZTMASA-N -1 3 384.910 3.527 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)(F)F)c2)ccc1N ZINC001214908225 1028961779 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O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1NCC(F)(F)F ZINC001142791415 1029461409 /nfs/dbraw/zinc/46/14/09/1029461409.db2.gz WECTZQIWWXCVLJ-UHFFFAOYSA-N -1 3 396.760 3.747 20 0 GHADHM c1ccc(COc2cccnc2-c2noc(-c3ccccc3-c3nnn[n-]3)n2)cc1 ZINC001216014909 1029492799 /nfs/dbraw/zinc/49/27/99/1029492799.db2.gz YXUJBZHTLJRZLU-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2cccnc2-c2noc(-c3ccccc3-c3nn[n-]n3)n2)cc1 ZINC001216014909 1029492806 /nfs/dbraw/zinc/49/28/06/1029492806.db2.gz YXUJBZHTLJRZLU-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2F)cc1Cl ZINC001216071849 1029516698 /nfs/dbraw/zinc/51/66/98/1029516698.db2.gz QMBRSUUQGIRIDW-UHFFFAOYSA-N -1 3 377.828 3.924 20 0 GHADHM COc1cc(OC)cc(-c2noc(-c3cc([O-])cc(Br)c3)n2)c1 ZINC001216379843 1029618381 /nfs/dbraw/zinc/61/83/81/1029618381.db2.gz SWVHOXFSLYXDFA-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1cc(-c2noc(-c3c([O-])cc(O)cc3O)n2)c(F)cc1Br ZINC001216727233 1029907161 /nfs/dbraw/zinc/90/71/61/1029907161.db2.gz VSNJDBQUWPRHSS-UHFFFAOYSA-N -1 3 381.157 3.730 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2cc(F)cc(I)c2)no1 ZINC001216735852 1029911751 /nfs/dbraw/zinc/91/17/51/1029911751.db2.gz ZIUWREDILOFPQP-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cccnc2OC2CCCCC2)no1 ZINC001216956283 1030029609 /nfs/dbraw/zinc/02/96/09/1030029609.db2.gz BNXRSHWJQJORTO-UHFFFAOYSA-N -1 3 397.431 3.587 20 0 GHADHM Cc1ccc(C(F)(F)F)c(-c2noc(-c3cccc(OCCO)c3[O-])n2)c1 ZINC001216959038 1030031611 /nfs/dbraw/zinc/03/16/11/1030031611.db2.gz OFNTZKPCQIOIAS-UHFFFAOYSA-N -1 3 380.322 3.808 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2[nH]nc3ncc(Br)cc32)c1[O-] ZINC001149190722 1030084439 /nfs/dbraw/zinc/08/44/39/1030084439.db2.gz OXGAISDCFMAEHQ-UHFFFAOYSA-N -1 3 398.220 3.535 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ccc(-c3cc(CO)on3)cc2)c1[O-] ZINC001149195965 1030086841 /nfs/dbraw/zinc/08/68/41/1030086841.db2.gz DFERVPJQOXFTMS-UHFFFAOYSA-N -1 3 375.384 3.648 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCC(CC(=O)OC(C)(C)C)CC2)c1[O-] ZINC001149198425 1030089338 /nfs/dbraw/zinc/08/93/38/1030089338.db2.gz SIMNFBYCZFYXIO-UHFFFAOYSA-N -1 3 384.476 3.833 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc3c(Cl)c(C)cnc23)c([O-])c1 ZINC001149367392 1030149730 /nfs/dbraw/zinc/14/97/30/1030149730.db2.gz IZQQBKLIAWFQSY-UHFFFAOYSA-N -1 3 397.862 3.969 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2onc(C(=O)Nc3cc([O-])cc(Cl)c3)c2C1 ZINC001149991246 1030371825 /nfs/dbraw/zinc/37/18/25/1030371825.db2.gz DAJOTLLWAZTRKU-UHFFFAOYSA-N -1 3 393.827 3.579 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001150184235 1030438851 /nfs/dbraw/zinc/43/88/51/1030438851.db2.gz MWHLYFANHZVDDZ-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001150184235 1030438863 /nfs/dbraw/zinc/43/88/63/1030438863.db2.gz MWHLYFANHZVDDZ-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM COC(=O)c1cccc2[n-]nc(-c3nc(-c4ccc(F)c(Cl)c4F)no3)c21 ZINC001217511911 1030454789 /nfs/dbraw/zinc/45/47/89/1030454789.db2.gz GYHQKLURGOEMSX-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM CC(C)C(=O)N1CCCc2sc(C(=O)Nc3cc([O-])cc(Cl)c3)nc21 ZINC001150345654 1030496960 /nfs/dbraw/zinc/49/69/60/1030496960.db2.gz XDEVYHFANUBEEC-UHFFFAOYSA-N -1 3 379.869 3.690 20 0 GHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001150405402 1030517182 /nfs/dbraw/zinc/51/71/82/1030517182.db2.gz HHDMOISBVYRTAU-OLMNPRSZSA-N -1 3 388.508 3.855 20 0 GHADHM CCOc1cccc2cc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)oc21 ZINC001150519704 1030552255 /nfs/dbraw/zinc/55/22/55/1030552255.db2.gz VZIVNRWTHMTJKY-UHFFFAOYSA-N -1 3 390.399 3.627 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc(Cl)cc2OC)no1 ZINC001217636651 1030560578 /nfs/dbraw/zinc/56/05/78/1030560578.db2.gz LNFMZEGUJQSCJO-UHFFFAOYSA-N -1 3 384.779 3.729 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(-c2nc(C)no2)cc1 ZINC001151373385 1030883797 /nfs/dbraw/zinc/88/37/97/1030883797.db2.gz VNYSVJHLEMZXJH-UHFFFAOYSA-N -1 3 390.399 3.955 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc2c(c1)NC(=O)C2(C)C ZINC001151373347 1030884023 /nfs/dbraw/zinc/88/40/23/1030884023.db2.gz SSPPEPXXTJVEIF-UHFFFAOYSA-N -1 3 391.427 3.827 20 0 GHADHM O=C(Nc1ccccc1-c1ncc[nH]1)c1nc2cc(Br)ccc2[n-]1 ZINC001151826501 1031020320 /nfs/dbraw/zinc/02/03/20/1031020320.db2.gz HCYJQQGTUGKLRY-UHFFFAOYSA-N -1 3 382.221 3.968 20 0 GHADHM O=C(Nc1ccccc1-c1ncc[nH]1)c1nc2ccc(Br)cc2[n-]1 ZINC001151826501 1031020339 /nfs/dbraw/zinc/02/03/39/1031020339.db2.gz HCYJQQGTUGKLRY-UHFFFAOYSA-N -1 3 382.221 3.968 20 0 GHADHM COC(=O)c1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC001152244307 1031157638 /nfs/dbraw/zinc/15/76/38/1031157638.db2.gz UUQBVVBHQRTDHD-UHFFFAOYSA-N -1 3 376.412 3.611 20 0 GHADHM CCOc1nnc(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)[n-]1 ZINC001152342186 1031198889 /nfs/dbraw/zinc/19/88/89/1031198889.db2.gz LLRSWSWMSNFROO-UHFFFAOYSA-N -1 3 387.465 3.540 20 0 GHADHM CCOc1nc(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)n[n-]1 ZINC001152342186 1031198901 /nfs/dbraw/zinc/19/89/01/1031198901.db2.gz LLRSWSWMSNFROO-UHFFFAOYSA-N -1 3 387.465 3.540 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)n1 ZINC001152342186 1031198913 /nfs/dbraw/zinc/19/89/13/1031198913.db2.gz LLRSWSWMSNFROO-UHFFFAOYSA-N -1 3 387.465 3.540 20 0 GHADHM O=C(c1cccc2c1[N-]C(=O)C2=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001152452616 1031248039 /nfs/dbraw/zinc/24/80/39/1031248039.db2.gz MNNYSTXNLYVOFW-UHFFFAOYSA-N -1 3 384.435 3.994 20 0 GHADHM CC(C)(Oc1ccc2c([O-])coc2c1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001225341972 1031355897 /nfs/dbraw/zinc/35/58/97/1031355897.db2.gz HBCJANSSABFBAL-HXUWFJFHSA-N -1 3 378.380 3.529 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCc1ccccc1)c1cnccc1Cl ZINC000311984553 1031393611 /nfs/dbraw/zinc/39/36/11/1031393611.db2.gz NGZUHNSFAADKDR-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001153460389 1031603724 /nfs/dbraw/zinc/60/37/24/1031603724.db2.gz FFPWALNSNAWQBH-AWEZNQCLSA-N -1 3 396.624 3.528 20 0 GHADHM CO[C@H](CN1CCN(C(=O)c2c([O-])ccc3ccccc32)CC1)c1ccccc1 ZINC001153505435 1031623083 /nfs/dbraw/zinc/62/30/83/1031623083.db2.gz KLADINPUFCFDQE-JOCHJYFZSA-N -1 3 390.483 3.691 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153872921 1031785508 /nfs/dbraw/zinc/78/55/08/1031785508.db2.gz RVFZTTBRDPRCBY-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]c(=S)ncc3C3CC3)C[C@H]21 ZINC001226120160 1031798902 /nfs/dbraw/zinc/79/89/02/1031798902.db2.gz QOOJPOLMUONHOJ-UMVBOHGHSA-N -1 3 377.510 3.810 20 0 GHADHM C/C=C\C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OCC ZINC001153950128 1031834018 /nfs/dbraw/zinc/83/40/18/1031834018.db2.gz JSKVSRBLTMGWQK-HSBHDXMMSA-N -1 3 390.224 3.555 20 0 GHADHM COC(=O)c1ccc2nc(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)[n-]c2c1 ZINC001226257599 1031882752 /nfs/dbraw/zinc/88/27/52/1031882752.db2.gz FQPCHYVGXMLCLZ-UNJUUPHPSA-N -1 3 398.362 3.754 20 0 GHADHM COC(=O)c1ccc2[n-]c(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)nc2c1 ZINC001226257599 1031882767 /nfs/dbraw/zinc/88/27/67/1031882767.db2.gz FQPCHYVGXMLCLZ-UNJUUPHPSA-N -1 3 398.362 3.754 20 0 GHADHM COC(=O)c1cc(F)c(NC(=O)c2c([O-])cc3ccccc3c2O)c(C)c1F ZINC001154028037 1031884555 /nfs/dbraw/zinc/88/45/55/1031884555.db2.gz NZKAUHNEEMANRV-UHFFFAOYSA-N -1 3 387.338 3.877 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)nc1)c1c(O)cc2ccccc2c1[O-] ZINC001154028005 1031884625 /nfs/dbraw/zinc/88/46/25/1031884625.db2.gz MKXOYAUVMCZDKB-UHFFFAOYSA-N -1 3 376.334 3.637 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC001226477995 1031972961 /nfs/dbraw/zinc/97/29/61/1031972961.db2.gz BOPHDHZRVNXVAR-UKPHBRMFSA-N -1 3 391.464 3.715 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001154213086 1031988687 /nfs/dbraw/zinc/98/86/87/1031988687.db2.gz KFBVJEKYEZITQF-UHFFFAOYSA-N -1 3 396.447 3.570 20 0 GHADHM CCCCOc1cc(C(=O)Nc2nc[n-]c2C(=O)OCC)c2ccccc2n1 ZINC001154237443 1031998970 /nfs/dbraw/zinc/99/89/70/1031998970.db2.gz ZSMKRZQZNDMYLN-UHFFFAOYSA-N -1 3 382.420 3.566 20 0 GHADHM CCCCOc1cc(C(=O)Nc2[n-]cnc2C(=O)OCC)c2ccccc2n1 ZINC001154237443 1031998977 /nfs/dbraw/zinc/99/89/77/1031998977.db2.gz ZSMKRZQZNDMYLN-UHFFFAOYSA-N -1 3 382.420 3.566 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cccc([O-])c3Br)[C@H]1C2 ZINC001229142858 1033304721 /nfs/dbraw/zinc/30/47/21/1033304721.db2.gz RKZZJZUXEBOVEK-MISXGVKJSA-N -1 3 384.270 3.931 20 0 GHADHM CCOC(=O)[C@H]1C[C@H](Oc2cccc([O-])c2Br)c2ccccc2O1 ZINC001229143260 1033305945 /nfs/dbraw/zinc/30/59/45/1033305945.db2.gz UVRXXSFSWKYTTH-JKSUJKDBSA-N -1 3 393.233 3.989 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(Br)cc3c2CCCC3=O)n1 ZINC001157062910 1033396089 /nfs/dbraw/zinc/39/60/89/1033396089.db2.gz DXNUMMRDPBSACE-UHFFFAOYSA-N -1 3 375.222 3.629 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)[n-]n1 ZINC001157105699 1033416438 /nfs/dbraw/zinc/41/64/38/1033416438.db2.gz UOKISKABRJTQJT-UHFFFAOYSA-N -1 3 395.463 3.710 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)n[n-]1 ZINC001157105699 1033416442 /nfs/dbraw/zinc/41/64/42/1033416442.db2.gz UOKISKABRJTQJT-UHFFFAOYSA-N -1 3 395.463 3.710 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001229343420 1033426147 /nfs/dbraw/zinc/42/61/47/1033426147.db2.gz YLOINDVSMZEYMI-CQSZACIVSA-N -1 3 376.338 3.960 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001229343420 1033426149 /nfs/dbraw/zinc/42/61/49/1033426149.db2.gz YLOINDVSMZEYMI-CQSZACIVSA-N -1 3 376.338 3.960 20 0 GHADHM Cc1sc(Br)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1C ZINC001157232372 1033483953 /nfs/dbraw/zinc/48/39/53/1033483953.db2.gz CWCMSQUNZYYACU-YFKPBYRVSA-N -1 3 397.220 3.755 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2Oc1nc(=S)[n-]c2sccc21 ZINC001229563535 1033559331 /nfs/dbraw/zinc/55/93/31/1033559331.db2.gz BSZFGMGALPOABD-FOGDFJRCSA-N -1 3 379.507 3.757 20 0 GHADHM CC(C)(C)N1CCC(Oc2ccccc2S(=O)(=O)c2ccc([O-])cc2)CC1 ZINC001229585265 1033573419 /nfs/dbraw/zinc/57/34/19/1033573419.db2.gz NNHZGXWNDWODOI-UHFFFAOYSA-N -1 3 389.517 3.867 20 0 GHADHM CC(C)(CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC001157492929 1033618046 /nfs/dbraw/zinc/61/80/46/1033618046.db2.gz RTCYDJHPTOXYET-FQEVSTJZSA-N -1 3 380.488 3.806 20 0 GHADHM CCC[C@H]1CCCC[C@H]1CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001230097073 1033896833 /nfs/dbraw/zinc/89/68/33/1033896833.db2.gz LRHVRBHRJRZESD-HOTGVXAUSA-N -1 3 391.478 3.693 20 0 GHADHM COC(=O)[C@@H](Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1)c1ccccc1 ZINC001230131503 1033914124 /nfs/dbraw/zinc/91/41/24/1033914124.db2.gz WZEUIKBPBSRCMD-IBGZPJMESA-N -1 3 396.468 3.964 20 0 GHADHM CCc1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC001158103366 1033915800 /nfs/dbraw/zinc/91/58/00/1033915800.db2.gz SJMCSWPYGJGKFF-HNNXBMFYSA-N -1 3 381.350 3.618 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)ccc2n1 ZINC001158346643 1034038664 /nfs/dbraw/zinc/03/86/64/1034038664.db2.gz ZEZURZQAPOPROE-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)ccc2n1 ZINC001158346643 1034038681 /nfs/dbraw/zinc/03/86/81/1034038681.db2.gz ZEZURZQAPOPROE-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM Cc1cc2ccccc2c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC001158556417 1034154117 /nfs/dbraw/zinc/15/41/17/1034154117.db2.gz SHYIQQDONDMUIX-UHFFFAOYSA-N -1 3 398.459 3.980 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1occc1COc1ccccc1 ZINC001158783909 1034270092 /nfs/dbraw/zinc/27/00/92/1034270092.db2.gz MMMBUEFYEFIUCV-JCNLHEQBSA-N -1 3 393.443 3.810 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)c1cc(OC)ccc1OC ZINC001231086179 1034388044 /nfs/dbraw/zinc/38/80/44/1034388044.db2.gz CZNOVWGLKVZXLD-SNVBAGLBSA-N -1 3 381.812 3.775 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)c1cc(Br)no1 ZINC001231089848 1034391649 /nfs/dbraw/zinc/39/16/49/1034391649.db2.gz ZRMXHRSGOFWAIC-LURJTMIESA-N -1 3 391.605 3.508 20 0 GHADHM Cc1cc(S(=O)(=O)c2cc(C)c(OC[C@H]3CCO3)c(C)c2)cc(C)c1[O-] ZINC001231196011 1034457223 /nfs/dbraw/zinc/45/72/23/1034457223.db2.gz MNFIAVVKRHOTPN-MRXNPFEDSA-N -1 3 376.474 3.626 20 0 GHADHM [O-]c1ccc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1C(F)(F)F ZINC001231523318 1034675135 /nfs/dbraw/zinc/67/51/35/1034675135.db2.gz QNLCUMDYZHHDCQ-WDSOQIARSA-N -1 3 394.393 3.617 20 0 GHADHM O=C1CCc2cc(N3CCN(Cc4ccc([O-])c(C(F)(F)F)c4)CC3)ccc21 ZINC001231525597 1034678318 /nfs/dbraw/zinc/67/83/18/1034678318.db2.gz BLLLSBGCXMZFDJ-UHFFFAOYSA-N -1 3 390.405 3.862 20 0 GHADHM COc1cccc(O[C@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)n1 ZINC001231525547 1034679111 /nfs/dbraw/zinc/67/91/11/1034679111.db2.gz ACFVWTZURHXQRK-AWEZNQCLSA-N -1 3 382.382 3.858 20 0 GHADHM Cc1ccc([O-])c(CN2CC(F)(F)CC23CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC001231670711 1034825940 /nfs/dbraw/zinc/82/59/40/1034825940.db2.gz LJDJDMURHLTXAG-UHFFFAOYSA-N -1 3 397.466 3.706 20 0 GHADHM O=C([O-])c1ccccc1-c1ccccc1CN1CC2CC1(C(=O)N1CCCC1)C2 ZINC001231679022 1034829742 /nfs/dbraw/zinc/82/97/42/1034829742.db2.gz WCRCBXSHIOKAHG-UHFFFAOYSA-N -1 3 390.483 3.639 20 0 GHADHM COC(=O)CCCCCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001208336972 1034863252 /nfs/dbraw/zinc/86/32/52/1034863252.db2.gz HVENXMRPJMOTSK-UHFFFAOYSA-N -1 3 396.534 3.520 20 0 GHADHM [O-]c1cc(CN2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)ccc1Cl ZINC001231729988 1034866433 /nfs/dbraw/zinc/86/64/33/1034866433.db2.gz DSXTWDUXGCLJGV-HNNXBMFYSA-N -1 3 392.858 3.782 20 0 GHADHM COc1ccc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC001231749339 1034880013 /nfs/dbraw/zinc/88/00/13/1034880013.db2.gz AQNMXCUZXCOKQJ-UHFFFAOYSA-N -1 3 375.852 3.530 20 0 GHADHM COc1ccc(CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001231755981 1034886108 /nfs/dbraw/zinc/88/61/08/1034886108.db2.gz HARWFIDJZAZNIZ-OAQYLSRUSA-N -1 3 392.496 3.520 20 0 GHADHM CC1CCN([C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc2)CC1 ZINC001208474393 1034908581 /nfs/dbraw/zinc/90/85/81/1034908581.db2.gz RNRFXCWDLWLGCK-GOSISDBHSA-N -1 3 394.487 3.716 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(F)cc(F)c2[O-])N(C)C)cc1 ZINC001160750257 1035055626 /nfs/dbraw/zinc/05/56/26/1035055626.db2.gz NVTQCTUFJXTBIF-LJQANCHMSA-N -1 3 376.447 3.902 20 0 GHADHM CC[C@@H](C)N1CC[C@@]2(CCN(Cc3c(Br)ccc([O-])c3F)C2)C1=O ZINC001276624715 1035209399 /nfs/dbraw/zinc/20/93/99/1035209399.db2.gz UWDVDOUHAPEYIJ-KZULUSFZSA-N -1 3 399.304 3.517 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1c[nH]cc1-c1ccc(Cl)s1 ZINC001161425933 1035228317 /nfs/dbraw/zinc/22/83/17/1035228317.db2.gz GIEBPJRHPLBBBP-UHFFFAOYSA-N -1 3 388.815 3.968 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]cc1-c1ccc(Cl)s1 ZINC001161425933 1035228323 /nfs/dbraw/zinc/22/83/23/1035228323.db2.gz GIEBPJRHPLBBBP-UHFFFAOYSA-N -1 3 388.815 3.968 20 0 GHADHM COC(=O)[C@@H](C)c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001161693554 1035285747 /nfs/dbraw/zinc/28/57/47/1035285747.db2.gz JWRSXQDAPIHSIK-NSHDSACASA-N -1 3 384.819 3.710 20 0 GHADHM [O-]c1cc(F)cc(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001241263099 1035546453 /nfs/dbraw/zinc/54/64/53/1035546453.db2.gz YAJAQDASWCRZOR-UHFFFAOYSA-N -1 3 399.491 3.914 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001248248653 1035696657 /nfs/dbraw/zinc/69/66/57/1035696657.db2.gz BQWZIDSKDDLMIF-LBPRGKRZSA-N -1 3 384.745 3.752 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001248250137 1035698043 /nfs/dbraw/zinc/69/80/43/1035698043.db2.gz PZKCPMBYXJXCPH-NSHDSACASA-N -1 3 384.745 3.752 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243343616 1036121502 /nfs/dbraw/zinc/12/15/02/1036121502.db2.gz JNGYKRQAABXFMH-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)ccc2[n-]1 ZINC001243516053 1036190165 /nfs/dbraw/zinc/19/01/65/1036190165.db2.gz WTPGMGDDIHXOGR-UHFFFAOYSA-N -1 3 398.850 3.691 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)[n-]c-2n1 ZINC001243516053 1036190179 /nfs/dbraw/zinc/19/01/79/1036190179.db2.gz WTPGMGDDIHXOGR-UHFFFAOYSA-N -1 3 398.850 3.691 20 0 GHADHM O=c1cnc(-c2ccc(OC(F)(F)F)cc2[O-])cn1Cc1ccccc1F ZINC001244467518 1036515534 /nfs/dbraw/zinc/51/55/34/1036515534.db2.gz PCOJRGLFAXYQOJ-UHFFFAOYSA-N -1 3 380.297 3.702 20 0 GHADHM Cc1ccc(-c2cc(Br)ncc2Br)cc1-c1nnn[n-]1 ZINC001244735064 1036620229 /nfs/dbraw/zinc/62/02/29/1036620229.db2.gz MZBFOUFBOCBSSO-UHFFFAOYSA-N -1 3 395.058 3.762 20 0 GHADHM Cc1ccc(-c2cc(Br)ncc2Br)cc1-c1nn[n-]n1 ZINC001244735064 1036620236 /nfs/dbraw/zinc/62/02/36/1036620236.db2.gz MZBFOUFBOCBSSO-UHFFFAOYSA-N -1 3 395.058 3.762 20 0 GHADHM COc1ccc(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)c(Cl)c1OC ZINC001247264656 1038043490 /nfs/dbraw/zinc/04/34/90/1038043490.db2.gz ZDMFLILUYQFEEE-UHFFFAOYSA-N -1 3 395.202 3.708 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccc(I)cc3)no2)cc1F ZINC001247563942 1038250416 /nfs/dbraw/zinc/25/04/16/1038250416.db2.gz AXRJVUSRUFGJHU-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM Cc1cc(Cl)ccc1-c1noc([C@@H](N)CCCC[N-]C(=O)C(F)(F)F)n1 ZINC001247690457 1038330172 /nfs/dbraw/zinc/33/01/72/1038330172.db2.gz OUMLWTLDRVZKAW-LBPRGKRZSA-N -1 3 390.793 3.547 20 0 GHADHM [O-]c1c(Cl)ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1Cl ZINC001232625604 1038413800 /nfs/dbraw/zinc/41/38/00/1038413800.db2.gz FWJUJMGHVMISQS-DLBZAZTESA-N -1 3 378.303 3.943 20 0 GHADHM CC(C)N1CCC2(CCN(Cc3cc(F)c([O-])c(Br)c3)CC2)C1=O ZINC001232637400 1038424926 /nfs/dbraw/zinc/42/49/26/1038424926.db2.gz RSAVWXDBNRAPMG-UHFFFAOYSA-N -1 3 399.304 3.517 20 0 GHADHM C[C@H]1CCN(Cc2ccc([O-])c(I)c2)CCC1(F)F ZINC001232868955 1038636430 /nfs/dbraw/zinc/63/64/30/1038636430.db2.gz YGWVACMHJJQITG-JTQLQIEISA-N -1 3 381.204 3.864 20 0 GHADHM [O-]c1ccc(CN2CCCC(F)(F)[C@@H](F)C2)cc1I ZINC001232868600 1038631600 /nfs/dbraw/zinc/63/16/00/1038631600.db2.gz RMJJNLQJXBPOHA-LBPRGKRZSA-N -1 3 385.167 3.566 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H]2c2nccs2)cc1I ZINC001232869721 1038636702 /nfs/dbraw/zinc/63/67/02/1038636702.db2.gz HSIOAEWYFRRURU-GFCCVEGCSA-N -1 3 386.258 3.790 20 0 GHADHM [O-]c1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1I ZINC001232872841 1038637294 /nfs/dbraw/zinc/63/72/94/1038637294.db2.gz KRROIUWFTVRYOO-OAHLLOKOSA-N -1 3 395.240 3.650 20 0 GHADHM CN(Cc1ccc([O-])c(I)c1)Cc1cccc(F)c1F ZINC001232874109 1038643111 /nfs/dbraw/zinc/64/31/11/1038643111.db2.gz KNLGQUXLDZQAJS-UHFFFAOYSA-N -1 3 389.183 3.907 20 0 GHADHM CC(C)CN1c2ccccc2[C@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1=O ZINC001232935429 1038716668 /nfs/dbraw/zinc/71/66/68/1038716668.db2.gz JZIMZVNPODIVNQ-JOCHJYFZSA-N -1 3 386.442 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2Cc2cc(Cl)ncc2[O-])C1 ZINC001233032194 1038785712 /nfs/dbraw/zinc/78/57/12/1038785712.db2.gz GOUMOVOJSIOSLZ-IBGZPJMESA-N -1 3 381.904 3.806 20 0 GHADHM [O-]c1cccc(CN2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)c1F ZINC001233052468 1038812557 /nfs/dbraw/zinc/81/25/57/1038812557.db2.gz NIWANGNBNHSMTK-GHTZIAJQSA-N -1 3 390.430 3.516 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)cc2Br)cc1 ZINC001252091798 1038853504 /nfs/dbraw/zinc/85/35/04/1038853504.db2.gz CZDSALWPEQARSJ-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc(Br)c2O)cc1 ZINC001252205098 1038904224 /nfs/dbraw/zinc/90/42/24/1038904224.db2.gz JFPDCWYMVDKGFZ-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM Cc1cccc(CN2CCO[C@H]3CN(Cc4ccc([S-])cc4)CC[C@H]3C2=O)c1 ZINC001233260801 1039030101 /nfs/dbraw/zinc/03/01/01/1039030101.db2.gz RPAKIWGACDSVST-YADHBBJMSA-N -1 3 396.556 3.533 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C2CCN(Cc3c(F)ccc([O-])c3F)CC2)C1 ZINC001233393776 1039228298 /nfs/dbraw/zinc/22/82/98/1039228298.db2.gz LQUHAKOHECEOIM-UHFFFAOYSA-N -1 3 382.451 3.749 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396534 1039229411 /nfs/dbraw/zinc/22/94/11/1039229411.db2.gz IDKBPDBCVGPQHI-MJGOQNOKSA-N -1 3 375.415 3.982 20 0 GHADHM CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233395502 1039229740 /nfs/dbraw/zinc/22/97/40/1039229740.db2.gz ZUFPRSLCUBKQQM-INIZCTEOSA-N -1 3 386.442 3.651 20 0 GHADHM COc1ccc(CN2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233398287 1039232089 /nfs/dbraw/zinc/23/20/89/1039232089.db2.gz GLZLKYCILCKSKR-IBGZPJMESA-N -1 3 382.888 3.640 20 0 GHADHM COc1ccc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c(Cl)c1[O-] ZINC001233400894 1039240509 /nfs/dbraw/zinc/24/05/09/1039240509.db2.gz CNMAOAIUMVKOTA-STQMWFEESA-N -1 3 384.904 3.884 20 0 GHADHM COc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)c(Cl)c1[O-] ZINC001233400830 1039240965 /nfs/dbraw/zinc/24/09/65/1039240965.db2.gz ZPUCPBOSBWMCSH-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(OC)c([O-])c1Cl ZINC001233400522 1039241039 /nfs/dbraw/zinc/24/10/39/1039241039.db2.gz MLSUUKIGYLCBJG-AWEZNQCLSA-N -1 3 384.904 3.886 20 0 GHADHM COc1ccc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401471 1039242591 /nfs/dbraw/zinc/24/25/91/1039242591.db2.gz ATXAQVVRNWBACU-LJQANCHMSA-N -1 3 384.904 3.791 20 0 GHADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1ccn2c(Br)cnc2c1 ZINC001252968880 1039304194 /nfs/dbraw/zinc/30/41/94/1039304194.db2.gz PBTOZCKHAMXADV-VQHVLOKHSA-N -1 3 378.251 3.509 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)c(Br)c1 ZINC001254050324 1039975817 /nfs/dbraw/zinc/97/58/17/1039975817.db2.gz FMXZAIQBVKLACL-UHFFFAOYSA-N -1 3 398.278 3.599 20 0 GHADHM CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Oc2c([O-])cc(Cl)cc2F)C1 ZINC001234448112 1040040719 /nfs/dbraw/zinc/04/07/19/1040040719.db2.gz OXZVYIYFRZWXIO-UHFFFAOYSA-N -1 3 388.819 3.616 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234688098 1040220779 /nfs/dbraw/zinc/22/07/79/1040220779.db2.gz DUPVNXMVWNYNOM-OAGGEKHMSA-N -1 3 383.448 3.626 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690254 1040222400 /nfs/dbraw/zinc/22/24/00/1040222400.db2.gz ATTUTNJCTYMIQE-HOCLYGCPSA-N -1 3 385.464 3.874 20 0 GHADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001234693590 1040225740 /nfs/dbraw/zinc/22/57/40/1040225740.db2.gz ZPTMQURRIKTZGX-FXAWDEMLSA-N -1 3 391.471 3.518 20 0 GHADHM O=C1N(CCC(F)(F)F)CCC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001277919275 1040540275 /nfs/dbraw/zinc/54/02/75/1040540275.db2.gz URPRFCCVRGNYFU-UHFFFAOYSA-N -1 3 390.833 3.813 20 0 GHADHM CCOC(=O)C(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC001255090179 1040777181 /nfs/dbraw/zinc/77/71/81/1040777181.db2.gz SHYCGPANQIGQSS-UHFFFAOYSA-N -1 3 391.489 3.770 20 0 GHADHM CC(C)NC(=O)N1CCC[C@@]2(CCCN(Cc3cccc([O-])c3Cl)C2)C1 ZINC001278911075 1041528669 /nfs/dbraw/zinc/52/86/69/1041528669.db2.gz VQFGMBNWVOUCOH-HXUWFJFHSA-N -1 3 379.932 3.842 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236686562 1041831842 /nfs/dbraw/zinc/83/18/42/1041831842.db2.gz ZJWFDWMKXFYZLS-AWEZNQCLSA-N -1 3 399.329 3.891 20 0 GHADHM Cc1ccc(CN2CCN(Cc3ccc(Br)c([O-])c3)CC2)cc1 ZINC001236688229 1041833483 /nfs/dbraw/zinc/83/34/83/1041833483.db2.gz UBEKVDMNDYMTCC-UHFFFAOYSA-N -1 3 375.310 3.781 20 0 GHADHM [O-]c1cc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)ccc1F ZINC001236701111 1041841375 /nfs/dbraw/zinc/84/13/75/1041841375.db2.gz IHCPSXBRWPYGHM-XMSQKQJNSA-N -1 3 386.467 3.514 20 0 GHADHM [O-]c1cc(CN2CCc3c(COCc4ccccn4)cncc3C2)ccc1F ZINC001236703763 1041843045 /nfs/dbraw/zinc/84/30/45/1041843045.db2.gz ZBPUSKJIZVJBQX-UHFFFAOYSA-N -1 3 379.435 3.596 20 0 GHADHM CCOC(=O)c1cc2cc(N3CCN(Cc4ccc(F)c([O-])c4)CC3)ccc2o1 ZINC001236708235 1041845118 /nfs/dbraw/zinc/84/51/18/1041845118.db2.gz PDFUFRIQYZTIKN-UHFFFAOYSA-N -1 3 398.434 3.776 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc3sccc3nc2Cl)CC1 ZINC001236873950 1041936650 /nfs/dbraw/zinc/93/66/50/1041936650.db2.gz LWTMBPWOEGFVJE-UHFFFAOYSA-N -1 3 387.892 3.613 20 0 GHADHM CC(C)[C@@H]1CN(Cc2sc(=O)[n-]c2Cl)CCN1C(=O)OC(C)(C)C ZINC001237147814 1042064875 /nfs/dbraw/zinc/06/48/75/1042064875.db2.gz BWBGUBBHHZMQMN-NSHDSACASA-N -1 3 375.922 3.579 20 0 GHADHM CCOC(=O)[C@@H]1c2ccc(Cl)cc2CCN1Cc1sc(=O)[n-]c1Cl ZINC001237154296 1042067425 /nfs/dbraw/zinc/06/74/25/1042067425.db2.gz KEXIELPIHBVISK-ZDUSSCGKSA-N -1 3 387.288 3.818 20 0 GHADHM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1sc(=O)[n-]c1Cl ZINC001237170462 1042077144 /nfs/dbraw/zinc/07/71/44/1042077144.db2.gz XTMSBBPWOIUCRI-LLVKDONJSA-N -1 3 375.922 3.724 20 0 GHADHM Nc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1 ZINC001237471819 1042222749 /nfs/dbraw/zinc/22/27/49/1042222749.db2.gz PDZGOAKAFPLVDV-UHFFFAOYSA-N -1 3 385.289 3.502 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NCCC2 ZINC001237656020 1042306812 /nfs/dbraw/zinc/30/68/12/1042306812.db2.gz CRUBFMYDZVIIPZ-UHFFFAOYSA-N -1 3 381.295 3.916 20 0 GHADHM Cc1ccc(C(=O)OCc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC001237826200 1042388712 /nfs/dbraw/zinc/38/87/12/1042388712.db2.gz MANCZZKPGSPDKF-UHFFFAOYSA-N -1 3 396.468 3.735 20 0 GHADHM C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238233226 1042527582 /nfs/dbraw/zinc/52/75/82/1042527582.db2.gz JVDAIOBFMRHQHC-UONOGXRCSA-N -1 3 380.460 3.649 20 0 GHADHM Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3-c2ccc(C)cc2[O-])cc1 ZINC001241028860 1042970392 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O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1csnc1-c1ccccc1 ZINC001309760973 1050960160 /nfs/dbraw/zinc/96/01/60/1050960160.db2.gz JWLXODIJRLPWOT-APWZRJJASA-N -1 3 386.498 3.619 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCCC1(F)F)c1cccc(OC(F)(F)F)c1F ZINC001309801646 1050980748 /nfs/dbraw/zinc/98/07/48/1050980748.db2.gz WOQPHPPNTMHDTA-SECBINFHSA-N -1 3 391.333 3.828 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cc(F)cc1F)c1csc(-c2ccccc2)n1 ZINC001309836496 1050996441 /nfs/dbraw/zinc/99/64/41/1050996441.db2.gz KVOZOOPDVRBJLA-UHFFFAOYSA-N -1 3 384.404 3.706 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001309896052 1051030524 /nfs/dbraw/zinc/03/05/24/1051030524.db2.gz NQVIRPGKDDYIJZ-SNVBAGLBSA-N -1 3 390.431 3.551 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1 ZINC001309917127 1051041340 /nfs/dbraw/zinc/04/13/40/1051041340.db2.gz BNBCGVCRBIVMEP-GOSISDBHSA-N -1 3 389.517 3.794 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1)C1CC1)c1c2ncsc2ccc1Cl ZINC001309932243 1051053703 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GHADHM CC(C)C[C@@H](C)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001312346864 1052705384 /nfs/dbraw/zinc/70/53/84/1052705384.db2.gz SZPVKHNOLYLQCK-KGLIPLIRSA-N -1 3 385.430 3.803 20 0 GHADHM CC1(C)C[C@@]1(C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001313224776 1052989185 /nfs/dbraw/zinc/98/91/85/1052989185.db2.gz IKESVJZGJNNOTC-FQEVSTJZSA-N -1 3 393.915 3.842 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@@H](c4ccccc4)[C@@H]3C)n2CC(C)C)cc(=O)[n-]1 ZINC001342936397 1053444476 /nfs/dbraw/zinc/44/44/76/1053444476.db2.gz LKLNFRIAJCJLSU-MAUKXSAKSA-N -1 3 392.507 3.788 20 0 GHADHM COc1ccccc1-c1nnc(COC(=O)CCCc2ccc([O-])c(F)c2)o1 ZINC001343436830 1053769199 /nfs/dbraw/zinc/76/91/99/1053769199.db2.gz ONJFSAHHUMYEFN-UHFFFAOYSA-N -1 3 386.379 3.656 20 0 GHADHM CCC[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001343543526 1053859641 /nfs/dbraw/zinc/85/96/41/1053859641.db2.gz KDDMGKSJKJGURN-AWEZNQCLSA-N -1 3 384.509 3.628 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)C(F)(F)c1ccc(Cl)cc1 ZINC001343937795 1054129632 /nfs/dbraw/zinc/12/96/32/1054129632.db2.gz QVXRNGRXHQDEAE-UHFFFAOYSA-N -1 3 380.734 3.931 20 0 GHADHM Cc1ccc(OCc2nc(COC(=O)CCc3c(C)nc[n-]c3=O)cs2)cc1 ZINC001317838505 1054275658 /nfs/dbraw/zinc/27/56/58/1054275658.db2.gz OSBHKKOWIPIGJO-UHFFFAOYSA-N -1 3 399.472 3.511 20 0 GHADHM COc1cc([C@@H]2NC(=O)c3cc(Br)ccc3N2)cc(Cl)c1[O-] ZINC001317901622 1054298301 /nfs/dbraw/zinc/29/83/01/1054298301.db2.gz POVBNSMVQUXAHX-AWEZNQCLSA-N -1 3 383.629 3.671 20 0 GHADHM CC(C)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001344512861 1054533580 /nfs/dbraw/zinc/53/35/80/1054533580.db2.gz VTMFJWIQIILPFZ-QHCPKHFHSA-N -1 3 380.488 3.659 20 0 GHADHM COc1ccccc1Oc1ccc(CNC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001318394970 1054610334 /nfs/dbraw/zinc/61/03/34/1054610334.db2.gz TZSZOMPJHGJIQW-UHFFFAOYSA-N -1 3 393.443 3.541 20 0 GHADHM O=C([N-]C[C@@H]1CCC[C@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC001345110063 1054906539 /nfs/dbraw/zinc/90/65/39/1054906539.db2.gz YCDABYMTCVQCNA-SCZZXKLOSA-N -1 3 386.748 3.513 20 0 GHADHM Cc1nc(-c2nnc(N(C)[C@@H]3CCc4ccccc43)n2CC(C)C)cc(=O)[n-]1 ZINC001345132437 1054916202 /nfs/dbraw/zinc/91/62/02/1054916202.db2.gz MSDKZGCDLZYTHS-GOSISDBHSA-N -1 3 378.480 3.529 20 0 GHADHM COc1ccccc1C1(C(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC001319243323 1055120382 /nfs/dbraw/zinc/12/03/82/1055120382.db2.gz FNBYMUPABXRQQS-UHFFFAOYSA-N -1 3 390.277 3.901 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1cccc(F)c1F ZINC001319650576 1055377781 /nfs/dbraw/zinc/37/77/81/1055377781.db2.gz DOBXSJVJXJWHLZ-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC001319757680 1055449158 /nfs/dbraw/zinc/44/91/58/1055449158.db2.gz GRAMZKIJSHJUSY-VXGBXAGGSA-N -1 3 381.398 3.750 20 0 GHADHM Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O ZINC001320367116 1055774396 /nfs/dbraw/zinc/77/43/96/1055774396.db2.gz XMJGLUJVXMQGGR-HNNXBMFYSA-N -1 3 378.806 3.662 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)c2ccccc2)sc1Cl ZINC001320999397 1056051417 /nfs/dbraw/zinc/05/14/17/1056051417.db2.gz KALVPXGRBUGRCJ-HNNXBMFYSA-N -1 3 381.910 3.511 20 0 GHADHM O=S(=O)([N-]CCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1F ZINC001321165852 1056130431 /nfs/dbraw/zinc/13/04/31/1056130431.db2.gz IHZBLBCNODBJFV-UHFFFAOYSA-N -1 3 380.828 3.655 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2C)ccc1F ZINC001200550844 1056302119 /nfs/dbraw/zinc/30/21/19/1056302119.db2.gz GGDHAQFFEHTTPU-UHFFFAOYSA-N -1 3 378.469 3.934 20 0 GHADHM CSc1ccc([O-])c(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)c1 ZINC001472263521 1056365012 /nfs/dbraw/zinc/36/50/12/1056365012.db2.gz SKGPXUZZWXOTCK-UHFFFAOYSA-N -1 3 384.432 3.716 20 0 GHADHM CCOC(=O)c1ncc(C(=O)[N-]c2nc(-c3ccccc3OC)cs2)s1 ZINC001322841448 1056864647 /nfs/dbraw/zinc/86/46/47/1056864647.db2.gz SXFGAOLHHDPENC-UHFFFAOYSA-N -1 3 389.458 3.704 20 0 GHADHM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000848231725 1056921947 /nfs/dbraw/zinc/92/19/47/1056921947.db2.gz KRFQYTHYCXSHEY-UHFFFAOYSA-N -1 3 398.463 3.645 20 0 GHADHM COc1cc(C)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C(F)(F)F ZINC001324776760 1057224468 /nfs/dbraw/zinc/22/44/68/1057224468.db2.gz FOCLSWBJTWYSKS-UHFFFAOYSA-N -1 3 383.370 3.706 20 0 GHADHM CCOC(=O)c1cc(C(=O)[N-]c2cc(F)ccc2NC(=O)OC(C)(C)C)on1 ZINC001325104457 1057275824 /nfs/dbraw/zinc/27/58/24/1057275824.db2.gz PYGAPUFCLOGIFU-UHFFFAOYSA-N -1 3 393.371 3.590 20 0 GHADHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c([O-])ccc(Br)c1C ZINC001326605128 1057520909 /nfs/dbraw/zinc/52/09/09/1057520909.db2.gz YBMTYCNQGWWGKF-NSHDSACASA-N -1 3 387.274 3.705 20 0 GHADHM CCOC(=O)c1oc([N-][C@@H](c2ccccc2F)[C@@H](C)O)nc1C(F)(F)F ZINC001337906574 1058322729 /nfs/dbraw/zinc/32/27/29/1058322729.db2.gz JQVYDYMBSDQJAF-LDYMZIIASA-N -1 3 376.306 3.543 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001441796270 1058864299 /nfs/dbraw/zinc/86/42/99/1058864299.db2.gz PTQAIZUZIAAUHL-UHFFFAOYSA-N -1 3 389.362 3.835 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001442261926 1058941526 /nfs/dbraw/zinc/94/15/26/1058941526.db2.gz LHUAFXMUDSVWPG-VXGBXAGGSA-N -1 3 377.282 3.847 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(OC)cc3)CCCC2)c1 ZINC001442718627 1058997110 /nfs/dbraw/zinc/99/71/10/1058997110.db2.gz OXSCTWGPEDBHCE-UHFFFAOYSA-N -1 3 380.444 3.725 20 0 GHADHM CC[C@H]1CN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)CC[C@H]1c1ccccc1 ZINC001339362734 1059142951 /nfs/dbraw/zinc/14/29/51/1059142951.db2.gz FJICFRUDKBDURK-FUHWJXTLSA-N -1 3 392.507 3.789 20 0 GHADHM COC(=O)c1cc(Cl)cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001444327186 1059307934 /nfs/dbraw/zinc/30/79/34/1059307934.db2.gz GVTDTYKLNKESTN-UHFFFAOYSA-N -1 3 391.210 3.874 20 0 GHADHM CC(C)N1C(=O)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1(C)C ZINC001444956594 1059422642 /nfs/dbraw/zinc/42/26/42/1059422642.db2.gz LDFRWVNDFSVBOT-UHFFFAOYSA-N -1 3 382.460 3.656 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H]3CCc4c3cccc4F)[n-]c(=O)c21 ZINC001339879085 1059533184 /nfs/dbraw/zinc/53/31/84/1059533184.db2.gz LKOMBELIUYWBOI-CQSZACIVSA-N 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ZINC001449188724 1060348000 /nfs/dbraw/zinc/34/80/00/1060348000.db2.gz ITMQNUHNCKJIFN-CABCVRRESA-N -1 3 383.492 3.868 20 0 GHADHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc(C(N)=O)c1 ZINC001449896956 1060479510 /nfs/dbraw/zinc/47/95/10/1060479510.db2.gz PPGYWFJYWXLDFR-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM CC(C)(C)SCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001546027328 1060716231 /nfs/dbraw/zinc/71/62/31/1060716231.db2.gz VWTSRLGGVLHVJH-UHFFFAOYSA-N -1 3 383.311 3.552 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(Oc3nccs3)c2)[n-]n1 ZINC001452101552 1060900710 /nfs/dbraw/zinc/90/07/10/1060900710.db2.gz ADINHKZEULOBOD-UHFFFAOYSA-N -1 3 386.433 3.866 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(Oc3nccs3)c2)n[n-]1 ZINC001452101552 1060900714 /nfs/dbraw/zinc/90/07/14/1060900714.db2.gz ADINHKZEULOBOD-UHFFFAOYSA-N -1 3 386.433 3.866 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccnc(OC3CCCCC3)c2)[n-]n1 ZINC001452098898 1060900917 /nfs/dbraw/zinc/90/09/17/1060900917.db2.gz ITZXCJXKJMOPFG-UHFFFAOYSA-N -1 3 386.452 3.724 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccnc(OC3CCCCC3)c2)n[n-]1 ZINC001452098898 1060900922 /nfs/dbraw/zinc/90/09/22/1060900922.db2.gz ITZXCJXKJMOPFG-UHFFFAOYSA-N -1 3 386.452 3.724 20 0 GHADHM CCc1ccc(C(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC001452174141 1060909939 /nfs/dbraw/zinc/90/99/39/1060909939.db2.gz DEVJFBBXGQRGKO-MRXNPFEDSA-N -1 3 383.366 3.707 20 0 GHADHM Cc1ccc(CN(CC2CC2)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)cn1 ZINC001452172802 1060910195 /nfs/dbraw/zinc/91/01/95/1060910195.db2.gz BTIACGZTGCUFHL-UHFFFAOYSA-N -1 3 381.863 3.937 20 0 GHADHM CC1(C)Cc2cc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)sc2-c2ccccc21 ZINC001452720339 1060993046 /nfs/dbraw/zinc/99/30/46/1060993046.db2.gz DSSQKHHNYQJREQ-UHFFFAOYSA-N -1 3 397.525 3.963 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H]3CCN3C3CCCCC3)n2)cc1 ZINC001453532157 1061151279 /nfs/dbraw/zinc/15/12/79/1061151279.db2.gz KYLNDWLJKQZGLS-HXUWFJFHSA-N -1 3 396.535 3.838 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCC3CCC3)cs2)c1 ZINC001453585825 1061162692 /nfs/dbraw/zinc/16/26/92/1061162692.db2.gz ILWWZGVGNFQMMW-UHFFFAOYSA-N -1 3 387.505 3.648 20 0 GHADHM O=C(N[C@@H]1CCCCc2cc(Br)ccc21)c1cccc2n[n-]nc21 ZINC001453767735 1061201262 /nfs/dbraw/zinc/20/12/62/1061201262.db2.gz HIDGVONJONKEAI-OAHLLOKOSA-N -1 3 385.265 3.918 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@H]1c1ccc(Br)cc1 ZINC001453938371 1061231449 /nfs/dbraw/zinc/23/14/49/1061231449.db2.gz WJJZCBHLTCPXBD-HNNXBMFYSA-N -1 3 384.233 3.685 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@H]4CCC[C@H]43)n2Cc2cccs2)cc(=O)[n-]1 ZINC001345949038 1061234676 /nfs/dbraw/zinc/23/46/76/1061234676.db2.gz PSQFYRKZLUWQFB-RHSMWYFYSA-N -1 3 396.520 3.628 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1 ZINC001346115566 1061375913 /nfs/dbraw/zinc/37/59/13/1061375913.db2.gz JQCNQDKOXAFKLA-GOSISDBHSA-N -1 3 396.443 3.511 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001454289436 1061701103 /nfs/dbraw/zinc/70/11/03/1061701103.db2.gz XUBAHPYVCIJISS-UHFFFAOYSA-N -1 3 386.864 3.732 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)[n-]1 ZINC001454464503 1061792411 /nfs/dbraw/zinc/79/24/11/1061792411.db2.gz SFDHTOBCBIFCCK-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)c[n-]1 ZINC001454464503 1061792431 /nfs/dbraw/zinc/79/24/31/1061792431.db2.gz SFDHTOBCBIFCCK-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM O=C(C[C@H]1CC=CCC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454926291 1061957258 /nfs/dbraw/zinc/95/72/58/1061957258.db2.gz KEMDRBFXSVWOHI-LSDHHAIUSA-N -1 3 380.410 3.932 20 0 GHADHM O=C(c1cc(Cl)cc(Br)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455390692 1062122306 /nfs/dbraw/zinc/12/23/06/1062122306.db2.gz WQBRDGXOGNSTQZ-UHFFFAOYSA-N -1 3 394.656 3.632 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001455670419 1062253121 /nfs/dbraw/zinc/25/31/21/1062253121.db2.gz DYZCMHQVXZWHSQ-QAPCUYQASA-N -1 3 375.513 3.832 20 0 GHADHM CC(C)(NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(F)cc1F ZINC001455824552 1062312479 /nfs/dbraw/zinc/31/24/79/1062312479.db2.gz KUGTULQVCXWFDN-UHFFFAOYSA-N -1 3 378.325 3.750 20 0 GHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001455865707 1062331879 /nfs/dbraw/zinc/33/18/79/1062331879.db2.gz KOSMJZOFLMNWPM-UHFFFAOYSA-N -1 3 396.516 3.593 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(N(C)C(=O)C4CC4)cc3)c[n-]c12 ZINC001456006692 1062397278 /nfs/dbraw/zinc/39/72/78/1062397278.db2.gz YDDJAYIDTGWHQA-UHFFFAOYSA-N -1 3 393.418 3.601 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)[n-]n1 ZINC001456331966 1062618671 /nfs/dbraw/zinc/61/86/71/1062618671.db2.gz KAPDRCJICGWWCK-UHFFFAOYSA-N -1 3 394.353 3.744 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)n[n-]1 ZINC001456331966 1062618682 /nfs/dbraw/zinc/61/86/82/1062618682.db2.gz KAPDRCJICGWWCK-UHFFFAOYSA-N -1 3 394.353 3.744 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c1 ZINC001347754989 1062626930 /nfs/dbraw/zinc/62/69/30/1062626930.db2.gz IHXRGKCRTWBSCW-PZPWOCDFSA-N -1 3 380.444 3.507 20 0 GHADHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1ccc(Cl)nn1 ZINC001456415582 1062668630 /nfs/dbraw/zinc/66/86/30/1062668630.db2.gz VJHJDXCUUHGNRR-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)c1ccccc1F ZINC001435553292 1062728320 /nfs/dbraw/zinc/72/83/20/1062728320.db2.gz VPHLPOMMGWEFOH-QGZVFWFLSA-N -1 3 395.377 3.735 20 0 GHADHM COc1cccc(C(C)(C)C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001456800264 1062861276 /nfs/dbraw/zinc/86/12/76/1062861276.db2.gz RLISMRKTUVKMOB-UHFFFAOYSA-N -1 3 393.443 3.692 20 0 GHADHM COc1cccc(C(C)(C)C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001456800264 1062861303 /nfs/dbraw/zinc/86/13/03/1062861303.db2.gz RLISMRKTUVKMOB-UHFFFAOYSA-N -1 3 393.443 3.692 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc2cccc(O)c21 ZINC001456797957 1062861906 /nfs/dbraw/zinc/86/19/06/1062861906.db2.gz KLOYVHKEHIIHJF-UHFFFAOYSA-N -1 3 387.395 3.878 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc(Nc2cccnc2)cc1 ZINC001456947046 1062927331 /nfs/dbraw/zinc/92/73/31/1062927331.db2.gz JADOPHYKLPKLFJ-RZDIXWSQSA-N -1 3 389.459 3.777 20 0 GHADHM Cc1ccc([C@H](CC(F)(F)F)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC001435811248 1062942385 /nfs/dbraw/zinc/94/23/85/1062942385.db2.gz ZGNDOYRNAWLALK-INIZCTEOSA-N -1 3 381.398 3.850 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cc([O-])ccc2Cl)C1 ZINC001457003216 1062944420 /nfs/dbraw/zinc/94/44/20/1062944420.db2.gz SEHWKZWIWSJYDJ-IBGZPJMESA-N -1 3 380.872 3.661 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc3c(s1)CCCCCC3)c2=O ZINC001457567612 1063253772 /nfs/dbraw/zinc/25/37/72/1063253772.db2.gz PWTBDTLONKKZCJ-UHFFFAOYSA-N -1 3 383.473 3.905 20 0 GHADHM Cc1ccc(F)c(-c2cc(NC(=O)c3c[n-]c4ccc(C)cc4c3=O)n[nH]2)c1 ZINC001457741735 1063340857 /nfs/dbraw/zinc/34/08/57/1063340857.db2.gz GGMFDQIEXAQZNE-UHFFFAOYSA-N -1 3 376.391 3.926 20 0 GHADHM O=C(Nc1c[nH]nc1-c1ccccc1F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001457782480 1063363662 /nfs/dbraw/zinc/36/36/62/1063363662.db2.gz YSVZMLVMFFNRBJ-UHFFFAOYSA-N -1 3 384.317 3.588 20 0 GHADHM CCCCOc1ccc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC001458001440 1063499980 /nfs/dbraw/zinc/49/99/80/1063499980.db2.gz ZAAFXIWSCBICJO-KRWDZBQOSA-N -1 3 391.508 3.667 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436650229 1063594458 /nfs/dbraw/zinc/59/44/58/1063594458.db2.gz VPQPEUKJTAZUPZ-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436650229 1063594466 /nfs/dbraw/zinc/59/44/66/1063594466.db2.gz VPQPEUKJTAZUPZ-UHFFFAOYSA-N -1 3 379.420 3.890 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccnc(OC4CCCCC4)c3)nc21 ZINC001458166078 1063621917 /nfs/dbraw/zinc/62/19/17/1063621917.db2.gz BRLWSASKGDCLPB-UHFFFAOYSA-N -1 3 394.431 3.708 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)onc3-c3cccc(F)c3)nc21 ZINC001458166576 1063622929 /nfs/dbraw/zinc/62/29/29/1063622929.db2.gz JXTNEJKSKQSACK-UHFFFAOYSA-N -1 3 394.362 3.704 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cc4cc(Cl)ccc4[nH]3)nc21 ZINC001458170104 1063627007 /nfs/dbraw/zinc/62/70/07/1063627007.db2.gz KMRIQXOANZBZNL-UHFFFAOYSA-N -1 3 382.807 3.665 20 0 GHADHM O=C([N-][C@@H]1COCc2ccccc21)C(F)(F)c1ccccc1Br ZINC001436881070 1063691856 /nfs/dbraw/zinc/69/18/56/1063691856.db2.gz ZGJDTPXCGPUOBV-OAHLLOKOSA-N -1 3 382.204 3.929 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC2(CC2)C1)C(F)(F)F ZINC001436917247 1063705494 /nfs/dbraw/zinc/70/54/94/1063705494.db2.gz ZZUQSAVIOCAWFF-CABCVRRESA-N -1 3 380.410 3.593 20 0 GHADHM O=C1[C@@H]([N-]c2nc3cc(Br)ccc3o2)CN1c1ccc(F)cc1 ZINC001458309271 1063736581 /nfs/dbraw/zinc/73/65/81/1063736581.db2.gz IKHCNFSERSYRQZ-ZDUSSCGKSA-N -1 3 376.185 3.557 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@]1(F)Cl ZINC001349565187 1063793917 /nfs/dbraw/zinc/79/39/17/1063793917.db2.gz YZUAXLVMRIGQQO-WDEREUQCSA-N -1 3 395.205 3.737 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)c(C(=O)OCC)[n-]1 ZINC001458954273 1063967506 /nfs/dbraw/zinc/96/75/06/1063967506.db2.gz KTMLQUMZDBENAK-JKSUJKDBSA-N -1 3 385.464 3.680 20 0 GHADHM CCC[C@H](C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC001438033726 1063970496 /nfs/dbraw/zinc/97/04/96/1063970496.db2.gz UCUDOSDCXWHKMI-AWEZNQCLSA-N -1 3 383.901 3.907 20 0 GHADHM CCC[C@H](C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC001438033726 1063970499 /nfs/dbraw/zinc/97/04/99/1063970499.db2.gz UCUDOSDCXWHKMI-AWEZNQCLSA-N -1 3 383.901 3.907 20 0 GHADHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001463374576 1064294655 /nfs/dbraw/zinc/29/46/55/1064294655.db2.gz HTQJRVNXPFFKRS-NSHDSACASA-N -1 3 397.909 3.725 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1ccc(F)cc1 ZINC001463382044 1064301137 /nfs/dbraw/zinc/30/11/37/1064301137.db2.gz LFPPGKNVXRVNHR-LLVKDONJSA-N -1 3 391.237 3.552 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC001460019794 1064350389 /nfs/dbraw/zinc/35/03/89/1064350389.db2.gz BMBNJOIUCFWLEK-UHFFFAOYSA-N -1 3 384.442 3.787 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC001460019794 1064350406 /nfs/dbraw/zinc/35/04/06/1064350406.db2.gz BMBNJOIUCFWLEK-UHFFFAOYSA-N -1 3 384.442 3.787 20 0 GHADHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)cc1 ZINC001463442494 1064352644 /nfs/dbraw/zinc/35/26/44/1064352644.db2.gz FBEKNFIJSKMKPY-LLVKDONJSA-N -1 3 399.871 3.868 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)[C@@H]1CCCO1 ZINC001463460446 1064371055 /nfs/dbraw/zinc/37/10/55/1064371055.db2.gz ODPFPFHFZDBYPX-OLZOCXBDSA-N -1 3 396.734 3.647 20 0 GHADHM CCCOc1ccc(C[N-]S(=O)(=O)c2occc2Br)c(C)c1 ZINC001463499442 1064409340 /nfs/dbraw/zinc/40/93/40/1064409340.db2.gz KLJJJNPBJPOMFB-UHFFFAOYSA-N -1 3 388.283 3.618 20 0 GHADHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001463528535 1064436881 /nfs/dbraw/zinc/43/68/81/1064436881.db2.gz OXLIXTNLJXACID-CHWSQXEVSA-N -1 3 386.970 3.953 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1cc(C)cc(C)c1 ZINC001463577902 1064476127 /nfs/dbraw/zinc/47/61/27/1064476127.db2.gz PHSIXAKSNMOAMM-BLGFXRMMSA-N -1 3 393.892 3.761 20 0 GHADHM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC001463592405 1064485942 /nfs/dbraw/zinc/48/59/42/1064485942.db2.gz WPGGWBUUKQNWFM-HNNXBMFYSA-N -1 3 388.316 3.931 20 0 GHADHM CC1CCC(C)(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC001463641262 1064521059 /nfs/dbraw/zinc/52/10/59/1064521059.db2.gz PBNUUMNSBFMWRD-UHFFFAOYSA-N -1 3 395.750 3.992 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1c(F)cncc1F ZINC001463675213 1064544264 /nfs/dbraw/zinc/54/42/64/1064544264.db2.gz AICUVEAFZWKKKE-ZETCQYMHSA-N -1 3 389.836 3.662 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c(-c2ccccc2)s1 ZINC001463680491 1064546839 /nfs/dbraw/zinc/54/68/39/1064546839.db2.gz PDBAQENTENSMOK-UHFFFAOYSA-N -1 3 399.541 3.914 20 0 GHADHM C[C@H](F)CC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463794127 1064624083 /nfs/dbraw/zinc/62/40/83/1064624083.db2.gz PBSLNEIXJJDUBT-VIFPVBQESA-N -1 3 382.404 3.855 20 0 GHADHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)[C@@H]1c1ccccc1 ZINC001463852276 1064670775 /nfs/dbraw/zinc/67/07/75/1064670775.db2.gz KEAZFOAHTGRGDZ-WFASDCNBSA-N -1 3 391.880 3.594 20 0 GHADHM CC(=O)CCCCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001463962592 1064742030 /nfs/dbraw/zinc/74/20/30/1064742030.db2.gz PBAMAQXDJDQEHD-UHFFFAOYSA-N -1 3 385.379 3.542 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C)c(C)c1Cl ZINC001464030184 1064778837 /nfs/dbraw/zinc/77/88/37/1064778837.db2.gz ZMRNBILOSZTHEZ-QWHCGFSZSA-N -1 3 399.921 3.639 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1csc(C)c1C ZINC001464225925 1064916302 /nfs/dbraw/zinc/91/63/02/1064916302.db2.gz FDOMMAPGVSDFMS-UHFFFAOYSA-N -1 3 380.354 3.976 20 0 GHADHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cscc2Br)o1 ZINC001464270688 1064931599 /nfs/dbraw/zinc/93/15/99/1064931599.db2.gz RFDSWHTTXUCCPP-UHFFFAOYSA-N -1 3 378.313 3.880 20 0 GHADHM CC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001464274258 1064937506 /nfs/dbraw/zinc/93/75/06/1064937506.db2.gz QDQUDAZDKYGDKH-UHFFFAOYSA-N -1 3 380.819 3.987 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC001464342031 1064962807 /nfs/dbraw/zinc/96/28/07/1064962807.db2.gz JSMHHCLGNBEGQO-KRWDZBQOSA-N -1 3 396.871 3.828 20 0 GHADHM C[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)COCc1ccccc1 ZINC001464603546 1065106369 /nfs/dbraw/zinc/10/63/69/1065106369.db2.gz HKWOBPHUKCJHDN-AWEZNQCLSA-N -1 3 384.863 3.764 20 0 GHADHM O=C(NCCCc1c(Cl)cccc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000847355912 1065118303 /nfs/dbraw/zinc/11/83/03/1065118303.db2.gz JLBRFKMJEGXMJO-UHFFFAOYSA-N -1 3 396.200 3.562 20 0 GHADHM CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001352563312 1065138466 /nfs/dbraw/zinc/13/84/66/1065138466.db2.gz KYCLSEXXCLOUAY-AWEZNQCLSA-N -1 3 378.436 3.524 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C ZINC001464755092 1065192813 /nfs/dbraw/zinc/19/28/13/1065192813.db2.gz BPPGEIICYUJSAR-CYBMUJFWSA-N -1 3 395.415 3.597 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000847430308 1065276839 /nfs/dbraw/zinc/27/68/39/1065276839.db2.gz FJADTRHAHDPOTM-UHFFFAOYSA-N -1 3 388.399 3.798 20 0 GHADHM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c([O-])cccc2OC)CC1 ZINC001465104155 1065394699 /nfs/dbraw/zinc/39/46/99/1065394699.db2.gz KRGBSBTVCRZHQD-QGZVFWFLSA-N -1 3 390.430 3.588 20 0 GHADHM CCc1ccc(C(=O)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC001300162633 1065516804 /nfs/dbraw/zinc/51/68/04/1065516804.db2.gz KACKXMYUNUGXBP-HDICACEKSA-N -1 3 396.531 3.836 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000847530429 1065540156 /nfs/dbraw/zinc/54/01/56/1065540156.db2.gz SVPTXCSJBDQKIB-UHFFFAOYSA-N -1 3 385.420 3.650 20 0 GHADHM Cc1ccc(-n2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)c(C(C)(C)C)n2)cc1 ZINC001300192584 1065623132 /nfs/dbraw/zinc/62/31/32/1065623132.db2.gz CUNKXAJXWPEGAP-HNNXBMFYSA-N -1 3 393.491 3.537 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001465460779 1065635052 /nfs/dbraw/zinc/63/50/52/1065635052.db2.gz MVVVZFJYIKAEBJ-AWEZNQCLSA-N -1 3 376.859 3.633 20 0 GHADHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001300196112 1065640079 /nfs/dbraw/zinc/64/00/79/1065640079.db2.gz YJXDOAJAQXKSOG-MRXNPFEDSA-N -1 3 389.455 3.593 20 0 GHADHM Cc1cc(Br)cc(C)c1NC(=S)Nc1ccc(C(N)=O)cc1[O-] ZINC001200230095 1065677672 /nfs/dbraw/zinc/67/76/72/1065677672.db2.gz ARLSGHAXCHIGRI-UHFFFAOYSA-N -1 3 394.294 3.679 20 0 GHADHM O=C(NCc1cn(-c2ccccc2)nn1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001465783403 1065853847 /nfs/dbraw/zinc/85/38/47/1065853847.db2.gz FECVMUFRHMJEBN-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)s1 ZINC001466903109 1066378681 /nfs/dbraw/zinc/37/86/81/1066378681.db2.gz WIZLFEWAPQFMQN-LBPRGKRZSA-N -1 3 393.440 3.883 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cc(Cl)ccc1OC(F)F ZINC001466914076 1066385540 /nfs/dbraw/zinc/38/55/40/1066385540.db2.gz IOWDTLSZLMXGTO-UHFFFAOYSA-N -1 3 394.769 3.689 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cc(Cl)ccc1OC(F)F ZINC001466914076 1066385551 /nfs/dbraw/zinc/38/55/51/1066385551.db2.gz IOWDTLSZLMXGTO-UHFFFAOYSA-N -1 3 394.769 3.689 20 0 GHADHM O=C(Cc1cccc2ncccc12)[N-]OCc1ccc(F)cc1Br ZINC001466939766 1066402544 /nfs/dbraw/zinc/40/25/44/1066402544.db2.gz LHIIXFIXSGWSDL-UHFFFAOYSA-N -1 3 389.224 3.927 20 0 GHADHM CC(F)(F)c1cc(F)ccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001467178993 1067125785 /nfs/dbraw/zinc/12/57/85/1067125785.db2.gz MTKHZKXXAMIZHT-UHFFFAOYSA-N -1 3 376.342 3.685 20 0 GHADHM CC(F)(F)c1cc(F)ccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001467178993 1067125789 /nfs/dbraw/zinc/12/57/89/1067125789.db2.gz MTKHZKXXAMIZHT-UHFFFAOYSA-N -1 3 376.342 3.685 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC001467260585 1067185915 /nfs/dbraw/zinc/18/59/15/1067185915.db2.gz DTHJBTIRIXMIBE-OAHLLOKOSA-N -1 3 387.304 3.933 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)s1 ZINC001467737892 1067444340 /nfs/dbraw/zinc/44/43/40/1067444340.db2.gz PJYBJTMICOXXPL-STQMWFEESA-N -1 3 377.441 3.915 20 0 GHADHM C[C@H](NC(=O)c1ccc(C2CCCC2)cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001467873877 1067510370 /nfs/dbraw/zinc/51/03/70/1067510370.db2.gz NXIDIJJMWOXAOL-GJZGRUSLSA-N -1 3 381.476 3.838 20 0 GHADHM CC(C)(CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1)CC(F)F ZINC001358483953 1067541528 /nfs/dbraw/zinc/54/15/28/1067541528.db2.gz JVTWYNTXUHEGIJ-UHFFFAOYSA-N -1 3 388.216 3.639 20 0 GHADHM CC(C)(CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1)CC(F)F ZINC001358483953 1067541532 /nfs/dbraw/zinc/54/15/32/1067541532.db2.gz JVTWYNTXUHEGIJ-UHFFFAOYSA-N -1 3 388.216 3.639 20 0 GHADHM Cc1cc(Cl)c(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1C ZINC001468292328 1067672040 /nfs/dbraw/zinc/67/20/40/1067672040.db2.gz SRSACXUJGCACSN-UHFFFAOYSA-N -1 3 396.878 3.982 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1csc(-c2cnn(C)c2)n1 ZINC001468424645 1067726991 /nfs/dbraw/zinc/72/69/91/1067726991.db2.gz ITOZRQLMBLPSMB-UHFFFAOYSA-N -1 3 393.266 3.572 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN[C@H]1C[C@H](C(=O)[O-])C1 ZINC000849230995 1067771609 /nfs/dbraw/zinc/77/16/09/1067771609.db2.gz QAVHUFHGNMLADF-UMSPYCQHSA-N -1 3 387.789 3.806 20 0 GHADHM CCOC(=O)C(=Cc1ccnn1CC1CC1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000849243841 1067776738 /nfs/dbraw/zinc/77/67/38/1067776738.db2.gz YUJLEMNGEHNPSL-OQLLNIDSSA-N -1 3 398.488 3.724 20 0 GHADHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001468780309 1067878482 /nfs/dbraw/zinc/87/84/82/1067878482.db2.gz QUWWYBNYIZMWID-UHFFFAOYSA-N -1 3 392.253 3.857 20 0 GHADHM CS(=O)(=O)c1ccccc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001469042522 1067961709 /nfs/dbraw/zinc/96/17/09/1067961709.db2.gz MXSFFMKMWIIWKP-UHFFFAOYSA-N -1 3 397.452 3.518 20 0 GHADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1nccnc1Sc1ccccc1 ZINC000541284021 1067977327 /nfs/dbraw/zinc/97/73/27/1067977327.db2.gz IGXSXTZOJCRRRR-UHFFFAOYSA-N -1 3 388.456 3.520 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1csc(-c2cccc3ccccc32)n1 ZINC001469719194 1068335923 /nfs/dbraw/zinc/33/59/23/1068335923.db2.gz ITRGQJLKRQGYPC-UHFFFAOYSA-N -1 3 394.481 3.678 20 0 GHADHM O=C([N-]OCC1CCC1)c1c(F)ccc(I)c1Cl ZINC001470290530 1068667544 /nfs/dbraw/zinc/66/75/44/1068667544.db2.gz MHOMRPUGZZSGBV-UHFFFAOYSA-N -1 3 383.588 3.545 20 0 GHADHM O=c1cc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc(-c2ccccc2)[n-]1 ZINC001460274379 1068901326 /nfs/dbraw/zinc/90/13/26/1068901326.db2.gz FYPYGUDZDUAPMW-UYAOXDASSA-N -1 3 381.863 3.811 20 0 GHADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(N2CCOCC2)cc1 ZINC001470617264 1072650728 /nfs/dbraw/zinc/65/07/28/1072650728.db2.gz JGZGHIKROVVVGL-UHFFFAOYSA-N -1 3 380.488 3.774 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[O-] ZINC001471056027 1072907011 /nfs/dbraw/zinc/90/70/11/1072907011.db2.gz DXVCLMXNSAHDJA-MRXNPFEDSA-N -1 3 390.480 3.504 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc3cccnc3c2)s1 ZINC001471078918 1072913996 /nfs/dbraw/zinc/91/39/96/1072913996.db2.gz OCCDDCUMWZWYKA-UHFFFAOYSA-N -1 3 384.461 3.968 20 0 GHADHM CCOc1nnc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)[n-]1 ZINC001471298427 1073004665 /nfs/dbraw/zinc/00/46/65/1073004665.db2.gz VMWDDDJRCIDPOP-UHFFFAOYSA-N -1 3 381.417 3.839 20 0 GHADHM CN(C)[C@H](CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(F)(F)F ZINC001471758149 1073209958 /nfs/dbraw/zinc/20/99/58/1073209958.db2.gz HTJHFDNLKXTAIN-LJQANCHMSA-N -1 3 394.437 3.790 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)n1 ZINC001471857999 1073234558 /nfs/dbraw/zinc/23/45/58/1073234558.db2.gz RDPJBGNAPDFJNA-IBGZPJMESA-N -1 3 380.492 3.547 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC001471996608 1073297559 /nfs/dbraw/zinc/29/75/59/1073297559.db2.gz LSILAGHQCDRVIP-FXAWDEMLSA-N -1 3 380.488 3.615 20 0 GHADHM O=C(NCCc1cccc2c1OCCO2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001472032212 1073310780 /nfs/dbraw/zinc/31/07/80/1073310780.db2.gz GQHJCLWJFOPMEP-UHFFFAOYSA-N -1 3 391.423 3.928 20 0 GHADHM C[C@H](NC(=O)c1cccc(Br)c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001472111268 1073337854 /nfs/dbraw/zinc/33/78/54/1073337854.db2.gz OZLPMCFDHJCBQP-YFKPBYRVSA-N -1 3 397.582 3.730 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc(F)cc1 ZINC001472221683 1073373837 /nfs/dbraw/zinc/37/38/37/1073373837.db2.gz YPLGQGGGAXQFIV-SNVBAGLBSA-N -1 3 389.224 3.921 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001472370000 1073449214 /nfs/dbraw/zinc/44/92/14/1073449214.db2.gz LKIJDGWIHHHVKK-HNNXBMFYSA-N -1 3 394.487 3.617 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)c1 ZINC001472484042 1073506701 /nfs/dbraw/zinc/50/67/01/1073506701.db2.gz RAHNUOKYJVAXOJ-UHFFFAOYSA-N -1 3 387.237 3.755 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(N3CCCCC3)c1)c2=O ZINC001472494664 1073512464 /nfs/dbraw/zinc/51/24/64/1073512464.db2.gz JEIIXRSINICEES-UHFFFAOYSA-N -1 3 377.444 3.779 20 0 GHADHM CSc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n1 ZINC001472559780 1073550519 /nfs/dbraw/zinc/55/05/19/1073550519.db2.gz KMBJZNVYXOFZJY-UHFFFAOYSA-N -1 3 395.362 3.796 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cncc(-c4ccc(C)cc4)c3)c2c1=O ZINC001472584913 1073561591 /nfs/dbraw/zinc/56/15/91/1073561591.db2.gz GGHZDALOODYUPY-UHFFFAOYSA-N -1 3 387.443 3.676 20 0 GHADHM C[C@@H](Oc1ccnc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1)c1ccccc1 ZINC001472596085 1073567056 /nfs/dbraw/zinc/56/70/56/1073567056.db2.gz JEDPFNZLKGLEFQ-CYBMUJFWSA-N -1 3 376.416 3.847 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)c1c([O-])cccc1O ZINC001472599367 1073569062 /nfs/dbraw/zinc/56/90/62/1073569062.db2.gz AYBQHFCGEQXBJQ-OAHLLOKOSA-N -1 3 384.432 3.862 20 0 GHADHM Cc1cc(-c2noc([C@H](C)NCc3nnc(-c4ccccc4[O-])o3)n2)ccc1F ZINC001473363035 1073935678 /nfs/dbraw/zinc/93/56/78/1073935678.db2.gz ZMBJKIUIZVGVSH-LBPRGKRZSA-N -1 3 395.394 3.791 20 0 GHADHM COc1cc(OC)c2c(c1)N(Cc1cc(=O)oc3c(C)c([O-])ccc13)CCC2 ZINC001473645737 1074064573 /nfs/dbraw/zinc/06/45/73/1074064573.db2.gz WTCHUYOYMRVGPW-UHFFFAOYSA-N -1 3 381.428 3.777 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(F)c2)[C@H](c2cccnc2)C1 ZINC001474474307 1074423495 /nfs/dbraw/zinc/42/34/95/1074423495.db2.gz FUCDHRXPNFBICD-SFHVURJKSA-N -1 3 387.455 3.720 20 0 GHADHM Cc1ccc(CCC[N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c(C)c1 ZINC001474794700 1074567193 /nfs/dbraw/zinc/56/71/93/1074567193.db2.gz SGTDBQQUKATNEM-DEOSSOPVSA-N -1 3 386.583 3.501 20 0 GHADHM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001474904054 1074624353 /nfs/dbraw/zinc/62/43/53/1074624353.db2.gz HFKOVMJRXNNMKW-NSHDSACASA-N -1 3 382.894 3.696 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c(F)cc1Br ZINC001474981450 1074665911 /nfs/dbraw/zinc/66/59/11/1074665911.db2.gz OUDBMPFLTYAJSU-XJKSGUPXSA-N -1 3 398.297 3.806 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)c1 ZINC001474992838 1074672776 /nfs/dbraw/zinc/67/27/76/1074672776.db2.gz FTQYRVOWBPPLCI-UHFFFAOYSA-N -1 3 399.559 3.777 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(-c3ccc(OC)cc3)cs2)s1 ZINC001475060407 1074716670 /nfs/dbraw/zinc/71/66/70/1074716670.db2.gz SIHWFHIBRZYJTK-UHFFFAOYSA-N -1 3 394.543 3.921 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001475128632 1074749204 /nfs/dbraw/zinc/74/92/04/1074749204.db2.gz YYQMEZYAFBCTLH-AWEZNQCLSA-N -1 3 383.313 3.994 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2(CCOCc3ccccc3)CC2)c(F)cc1F ZINC001475162563 1074764168 /nfs/dbraw/zinc/76/41/68/1074764168.db2.gz RPFMQZRPFRXXRD-UHFFFAOYSA-N -1 3 381.444 3.691 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001475163109 1074764676 /nfs/dbraw/zinc/76/46/76/1074764676.db2.gz YRSTZCOHAKQQCY-MFKMUULPSA-N -1 3 388.942 3.822 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1Br ZINC001475309113 1074830007 /nfs/dbraw/zinc/83/00/07/1074830007.db2.gz WBWVKXGCBCIXGM-SECBINFHSA-N -1 3 388.299 3.841 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1cc(Br)ccc1F ZINC001475375868 1074853325 /nfs/dbraw/zinc/85/33/25/1074853325.db2.gz PBQYUAAKZOROHV-SMDDNHRTSA-N -1 3 388.233 3.562 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)(C)C)c1Cl ZINC001475436975 1074874544 /nfs/dbraw/zinc/87/45/44/1074874544.db2.gz HPPLCHNNELXGQE-JTQLQIEISA-N -1 3 382.309 3.558 20 0 GHADHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC001475438200 1074875125 /nfs/dbraw/zinc/87/51/25/1074875125.db2.gz JRLRDTWJPJHOAD-LBPRGKRZSA-N -1 3 382.309 3.638 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1cccnc1)C1CCCC1)c1cccc(Cl)c1F ZINC001475609686 1074926265 /nfs/dbraw/zinc/92/62/65/1074926265.db2.gz OORZENVQTOPOPZ-INIZCTEOSA-N -1 3 382.888 3.954 20 0 GHADHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccccc1C(C)(C)C)c1ccccc1 ZINC001475696201 1075001097 /nfs/dbraw/zinc/00/10/97/1075001097.db2.gz HFPDLYUVELFGBW-NRFANRHFSA-N -1 3 389.517 3.741 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1c(F)cccc1F ZINC001475701048 1075002584 /nfs/dbraw/zinc/00/25/84/1075002584.db2.gz HBKNBFHNMBHUKK-MRVPVSSYSA-N -1 3 394.212 3.906 20 0 GHADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCS1 ZINC001475728038 1075010066 /nfs/dbraw/zinc/01/00/66/1075010066.db2.gz MMHQJCHAAQOKKH-SECBINFHSA-N -1 3 376.956 3.902 20 0 GHADHM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC001475751622 1075014596 /nfs/dbraw/zinc/01/45/96/1075014596.db2.gz GGUFSANWJMFJOA-NHYWBVRUSA-N -1 3 393.452 3.764 20 0 GHADHM Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001476117186 1075087870 /nfs/dbraw/zinc/08/78/70/1075087870.db2.gz NXSWDVRLTWFXKW-ZETCQYMHSA-N -1 3 379.289 3.616 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736400761 598837287 /nfs/dbraw/zinc/83/72/87/598837287.db2.gz RSSLVDIBINMHLN-QGZVFWFLSA-N -1 3 392.463 3.849 20 0 GHADHM CC[C@@H]1CCCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736400761 598837289 /nfs/dbraw/zinc/83/72/89/598837289.db2.gz RSSLVDIBINMHLN-QGZVFWFLSA-N -1 3 392.463 3.849 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110778 598839392 /nfs/dbraw/zinc/83/93/92/598839392.db2.gz CJFNOKHAPMQPSX-KSFYIVLOSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110778 598839393 /nfs/dbraw/zinc/83/93/93/598839393.db2.gz CJFNOKHAPMQPSX-KSFYIVLOSA-N -1 3 390.491 3.691 20 0 GHADHM CC(C)(C)CCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735601708 598848099 /nfs/dbraw/zinc/84/80/99/598848099.db2.gz AOQPXLOIASNFAJ-UHFFFAOYSA-N -1 3 383.452 3.595 20 0 GHADHM CCc1csc([C@@H]2CCCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)C2)n1 ZINC000736701407 598850971 /nfs/dbraw/zinc/85/09/71/598850971.db2.gz BRJZLPUHEJLJJY-CQSZACIVSA-N -1 3 397.508 3.606 20 0 GHADHM CCc1csc([C@@H]2CCCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)C2)n1 ZINC000736701407 598850973 /nfs/dbraw/zinc/85/09/73/598850973.db2.gz BRJZLPUHEJLJJY-CQSZACIVSA-N -1 3 397.508 3.606 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736174753 598857073 /nfs/dbraw/zinc/85/70/73/598857073.db2.gz OFGNCOKZHRFTNW-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736174753 598857075 /nfs/dbraw/zinc/85/70/75/598857075.db2.gz OFGNCOKZHRFTNW-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)Nc3ncccc3-c3nnn[n-]3)s2)cc1 ZINC000737058377 598872083 /nfs/dbraw/zinc/87/20/83/598872083.db2.gz WPDVGJRKTACZAN-LLVKDONJSA-N -1 3 393.476 3.875 20 0 GHADHM COc1ccc(-c2nc(C)c([C@@H](C)Nc3ncccc3-c3nn[n-]n3)s2)cc1 ZINC000737058377 598872085 /nfs/dbraw/zinc/87/20/85/598872085.db2.gz WPDVGJRKTACZAN-LLVKDONJSA-N -1 3 393.476 3.875 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OCCC(C)C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898142 598883448 /nfs/dbraw/zinc/88/34/48/598883448.db2.gz PNTFMYMSWASKRW-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM COC(=O)[C@H](Nc1cccc(OCCC(C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898142 598883449 /nfs/dbraw/zinc/88/34/49/598883449.db2.gz PNTFMYMSWASKRW-LJQANCHMSA-N -1 3 395.463 3.618 20 0 GHADHM CC[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736403373 598890755 /nfs/dbraw/zinc/89/07/55/598890755.db2.gz UWVYMVNOCQHRSB-CQSZACIVSA-N -1 3 396.520 3.927 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1OCCC(C)C ZINC000737360033 598907007 /nfs/dbraw/zinc/90/70/07/598907007.db2.gz JUWSSPDGUZWEQO-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1OCCC(C)C ZINC000737360033 598907009 /nfs/dbraw/zinc/90/70/09/598907009.db2.gz JUWSSPDGUZWEQO-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736266874 598907588 /nfs/dbraw/zinc/90/75/88/598907588.db2.gz KSNTWDCUXDREDA-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736266874 598907590 /nfs/dbraw/zinc/90/75/90/598907590.db2.gz KSNTWDCUXDREDA-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000737054266 598914282 /nfs/dbraw/zinc/91/42/82/598914282.db2.gz OVDKDMRIRSORGK-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM COc1cc(F)c([C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000737054266 598914283 /nfs/dbraw/zinc/91/42/83/598914283.db2.gz OVDKDMRIRSORGK-VIFPVBQESA-N -1 3 377.807 3.850 20 0 GHADHM CC(C)CCN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735804553 598925805 /nfs/dbraw/zinc/92/58/05/598925805.db2.gz VNCGXWOXUHPCLU-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CC(C)CCN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735804553 598925806 /nfs/dbraw/zinc/92/58/06/598925806.db2.gz VNCGXWOXUHPCLU-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736253882 598925899 /nfs/dbraw/zinc/92/58/99/598925899.db2.gz PDRWRCRBCILNMQ-CRAIPNDOSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736253882 598925901 /nfs/dbraw/zinc/92/59/01/598925901.db2.gz PDRWRCRBCILNMQ-CRAIPNDOSA-N -1 3 391.475 3.754 20 0 GHADHM Cc1cc(C)cc(-c2nnc(Sc3ncc(-c4nnn[n-]4)cc3Cl)o2)c1 ZINC000737252569 598935990 /nfs/dbraw/zinc/93/59/90/598935990.db2.gz JBJVBKASJXJVNS-UHFFFAOYSA-N -1 3 385.840 3.733 20 0 GHADHM Cc1cc(C)cc(-c2nnc(Sc3ncc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000737252569 598935992 /nfs/dbraw/zinc/93/59/92/598935992.db2.gz JBJVBKASJXJVNS-UHFFFAOYSA-N -1 3 385.840 3.733 20 0 GHADHM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737997559 598942700 /nfs/dbraw/zinc/94/27/00/598942700.db2.gz WZWGUZRJUOBTGV-NRFANRHFSA-N -1 3 399.454 3.555 20 0 GHADHM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737997559 598942701 /nfs/dbraw/zinc/94/27/01/598942701.db2.gz WZWGUZRJUOBTGV-NRFANRHFSA-N -1 3 399.454 3.555 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(N2CCCCCC2)c1 ZINC000737853983 598944521 /nfs/dbraw/zinc/94/45/21/598944521.db2.gz PSGYAPJIRCCKFM-UHFFFAOYSA-N -1 3 390.491 3.818 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(N2CCCCCC2)c1 ZINC000737853983 598944522 /nfs/dbraw/zinc/94/45/22/598944522.db2.gz PSGYAPJIRCCKFM-UHFFFAOYSA-N -1 3 390.491 3.818 20 0 GHADHM CCCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736451597 598959907 /nfs/dbraw/zinc/95/99/07/598959907.db2.gz NLUNYTJCNUSRRO-IBGZPJMESA-N -1 3 399.520 3.809 20 0 GHADHM CCCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736451597 598959908 /nfs/dbraw/zinc/95/99/08/598959908.db2.gz NLUNYTJCNUSRRO-IBGZPJMESA-N -1 3 399.520 3.809 20 0 GHADHM O=C(CC1(O)CCCCC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737809031 598965151 /nfs/dbraw/zinc/96/51/51/598965151.db2.gz STBCDBRLSOIBTF-UHFFFAOYSA-N -1 3 392.459 3.662 20 0 GHADHM O=C(CC1(O)CCCCC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737809031 598965155 /nfs/dbraw/zinc/96/51/55/598965155.db2.gz STBCDBRLSOIBTF-UHFFFAOYSA-N -1 3 392.459 3.662 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737341498 598980373 /nfs/dbraw/zinc/98/03/73/598980373.db2.gz IPBGCVYBKMIWAH-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000737341498 598980375 /nfs/dbraw/zinc/98/03/75/598980375.db2.gz IPBGCVYBKMIWAH-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM O=C(NCCC1CCCC1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738055349 598988329 /nfs/dbraw/zinc/98/83/29/598988329.db2.gz LQMYKRDJOUELAE-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM CCCCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736450703 598990252 /nfs/dbraw/zinc/99/02/52/598990252.db2.gz CBVPXSBMZUDAKZ-UHFFFAOYSA-N -1 3 391.475 3.850 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1Oc1ccccn1 ZINC000738236292 599017490 /nfs/dbraw/zinc/01/74/90/599017490.db2.gz IILXPAUGRPUJMH-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Oc1ccccn1 ZINC000738236292 599017492 /nfs/dbraw/zinc/01/74/92/599017492.db2.gz IILXPAUGRPUJMH-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116811 599019319 /nfs/dbraw/zinc/01/93/19/599019319.db2.gz NECZROIYJPIUOA-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116811 599019320 /nfs/dbraw/zinc/01/93/20/599019320.db2.gz NECZROIYJPIUOA-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccc(N2CCCCCC2)c1 ZINC000738117163 599023287 /nfs/dbraw/zinc/02/32/87/599023287.db2.gz OEMDTLKVEIUOTH-UHFFFAOYSA-N -1 3 391.479 3.569 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccc(N2CCCCCC2)c1 ZINC000738117163 599023288 /nfs/dbraw/zinc/02/32/88/599023288.db2.gz OEMDTLKVEIUOTH-UHFFFAOYSA-N -1 3 391.479 3.569 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735683600 599036222 /nfs/dbraw/zinc/03/62/22/599036222.db2.gz ASSNEVJCQQNCPT-UHFFFAOYSA-N -1 3 397.479 3.994 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735683600 599036225 /nfs/dbraw/zinc/03/62/25/599036225.db2.gz ASSNEVJCQQNCPT-UHFFFAOYSA-N -1 3 397.479 3.994 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822350796 599036751 /nfs/dbraw/zinc/03/67/51/599036751.db2.gz HFPUSNIXZVXOQN-KRWDZBQOSA-N -1 3 389.381 3.772 20 0 GHADHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822350796 599036754 /nfs/dbraw/zinc/03/67/54/599036754.db2.gz HFPUSNIXZVXOQN-KRWDZBQOSA-N -1 3 389.381 3.772 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2cc3c(s2)CCCC3)n1 ZINC000737635504 599048203 /nfs/dbraw/zinc/04/82/03/599048203.db2.gz IHZLFCITHPCEBT-UHFFFAOYSA-N -1 3 380.399 3.833 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2cc3c(s2)CCCC3)n1 ZINC000737635504 599048206 /nfs/dbraw/zinc/04/82/06/599048206.db2.gz IHZLFCITHPCEBT-UHFFFAOYSA-N -1 3 380.399 3.833 20 0 GHADHM COc1cccc(Oc2ncccc2CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737140116 599050015 /nfs/dbraw/zinc/05/00/15/599050015.db2.gz CQJIHYWDFFUWID-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735671046 599054167 /nfs/dbraw/zinc/05/41/67/599054167.db2.gz KMMAWCSNPZRQOO-UHFFFAOYSA-N -1 3 380.349 3.809 20 0 GHADHM CC(C)(CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735671046 599054170 /nfs/dbraw/zinc/05/41/70/599054170.db2.gz KMMAWCSNPZRQOO-UHFFFAOYSA-N -1 3 380.349 3.809 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736154358 599055336 /nfs/dbraw/zinc/05/53/36/599055336.db2.gz UMDUDDLOBYQOTJ-NYHXXUGCSA-N -1 3 387.399 3.839 20 0 GHADHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736154358 599055339 /nfs/dbraw/zinc/05/53/39/599055339.db2.gz UMDUDDLOBYQOTJ-NYHXXUGCSA-N -1 3 387.399 3.839 20 0 GHADHM Cc1nc2sc3c(c2c(Sc2ccc(-c4nnn[n-]4)cc2F)n1)CCC3 ZINC000822453253 599058353 /nfs/dbraw/zinc/05/83/53/599058353.db2.gz GCRCESYSYFUKML-UHFFFAOYSA-N -1 3 384.465 3.959 20 0 GHADHM Cc1nc2sc3c(c2c(Sc2ccc(-c4nn[n-]n4)cc2F)n1)CCC3 ZINC000822453253 599058355 /nfs/dbraw/zinc/05/83/55/599058355.db2.gz GCRCESYSYFUKML-UHFFFAOYSA-N -1 3 384.465 3.959 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738162366 599069647 /nfs/dbraw/zinc/06/96/47/599069647.db2.gz BYWPGPXYVGSOCL-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738162366 599069652 /nfs/dbraw/zinc/06/96/52/599069652.db2.gz BYWPGPXYVGSOCL-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000822761343 599070669 /nfs/dbraw/zinc/07/06/69/599070669.db2.gz JHJGTQREHBLAKG-UHFFFAOYSA-N -1 3 398.405 3.623 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000822761343 599070672 /nfs/dbraw/zinc/07/06/72/599070672.db2.gz JHJGTQREHBLAKG-UHFFFAOYSA-N -1 3 398.405 3.623 20 0 GHADHM C[C@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000736116662 599081604 /nfs/dbraw/zinc/08/16/04/599081604.db2.gz CEJHUSOFHCTKOS-AWEZNQCLSA-N -1 3 395.463 3.737 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819946535 599082847 /nfs/dbraw/zinc/08/28/47/599082847.db2.gz MZNGUOMJGXOCFP-UHFFFAOYSA-N -1 3 387.390 3.712 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819946535 599082850 /nfs/dbraw/zinc/08/28/50/599082850.db2.gz MZNGUOMJGXOCFP-UHFFFAOYSA-N -1 3 387.390 3.712 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330789 599083151 /nfs/dbraw/zinc/08/31/51/599083151.db2.gz OARJJSDVENNUTP-FQEVSTJZSA-N -1 3 375.476 3.862 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330789 599083153 /nfs/dbraw/zinc/08/31/53/599083153.db2.gz OARJJSDVENNUTP-FQEVSTJZSA-N -1 3 375.476 3.862 20 0 GHADHM FC(F)(F)C1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000822714041 599091251 /nfs/dbraw/zinc/09/12/51/599091251.db2.gz DYHVNMJRPRCGMQ-UHFFFAOYSA-N -1 3 382.777 3.847 20 0 GHADHM FC(F)(F)C1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000822714041 599091252 /nfs/dbraw/zinc/09/12/52/599091252.db2.gz DYHVNMJRPRCGMQ-UHFFFAOYSA-N -1 3 382.777 3.847 20 0 GHADHM CC(C)[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820046258 599097374 /nfs/dbraw/zinc/09/73/74/599097374.db2.gz QWZSUPGXOFAMCD-CYBMUJFWSA-N -1 3 392.891 3.785 20 0 GHADHM CC(C)[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CCS1 ZINC000820046258 599097377 /nfs/dbraw/zinc/09/73/77/599097377.db2.gz QWZSUPGXOFAMCD-CYBMUJFWSA-N -1 3 392.891 3.785 20 0 GHADHM CC(C)CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC000735796557 599104837 /nfs/dbraw/zinc/10/48/37/599104837.db2.gz DHAJUPXCWVJANW-INIZCTEOSA-N -1 3 376.480 3.656 20 0 GHADHM CC(C)CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000735796557 599104838 /nfs/dbraw/zinc/10/48/38/599104838.db2.gz DHAJUPXCWVJANW-INIZCTEOSA-N -1 3 376.480 3.656 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1 ZINC000822233512 599108681 /nfs/dbraw/zinc/10/86/81/599108681.db2.gz QLKGVGNOTSRYDH-MJGOQNOKSA-N -1 3 378.480 3.767 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1 ZINC000822233512 599108682 /nfs/dbraw/zinc/10/86/82/599108682.db2.gz QLKGVGNOTSRYDH-MJGOQNOKSA-N -1 3 378.480 3.767 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1nc2ccccc2s1 ZINC000737408218 599121868 /nfs/dbraw/zinc/12/18/68/599121868.db2.gz HILAAEFHBUXBAK-UHFFFAOYSA-N -1 3 387.472 3.969 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1nc2ccccc2s1 ZINC000737408218 599121871 /nfs/dbraw/zinc/12/18/71/599121871.db2.gz HILAAEFHBUXBAK-UHFFFAOYSA-N -1 3 387.472 3.969 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000820152466 599143882 /nfs/dbraw/zinc/14/38/82/599143882.db2.gz YUGKUZGNMPDHCE-UHFFFAOYSA-N -1 3 393.447 3.838 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000820152466 599143883 /nfs/dbraw/zinc/14/38/83/599143883.db2.gz YUGKUZGNMPDHCE-UHFFFAOYSA-N -1 3 393.447 3.838 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1csc(-c2ccccc2)n1 ZINC000737293549 599145898 /nfs/dbraw/zinc/14/58/98/599145898.db2.gz FLJJBZWPBJEEDR-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1csc(-c2ccccc2)n1 ZINC000737293549 599145901 /nfs/dbraw/zinc/14/59/01/599145901.db2.gz FLJJBZWPBJEEDR-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC)o2)cc1 ZINC000821476877 599148665 /nfs/dbraw/zinc/14/86/65/599148665.db2.gz SJUAAOAXHCKMEC-UHFFFAOYSA-N -1 3 389.415 3.950 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC)o2)cc1 ZINC000821476877 599148667 /nfs/dbraw/zinc/14/86/67/599148667.db2.gz SJUAAOAXHCKMEC-UHFFFAOYSA-N -1 3 389.415 3.950 20 0 GHADHM O=C(O[C@@H](c1ccc(Br)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738215381 599157529 /nfs/dbraw/zinc/15/75/29/599157529.db2.gz QUWIIEKFGZWPHA-MRXNPFEDSA-N -1 3 399.248 3.937 20 0 GHADHM O=C(O[C@@H](c1ccc(Br)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738215381 599157532 /nfs/dbraw/zinc/15/75/32/599157532.db2.gz QUWIIEKFGZWPHA-MRXNPFEDSA-N -1 3 399.248 3.937 20 0 GHADHM c1ccc2sc(SCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)nc2c1 ZINC000738404724 599159906 /nfs/dbraw/zinc/15/99/06/599159906.db2.gz JNKYMKWYLAOGEV-UHFFFAOYSA-N -1 3 393.457 3.819 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818658 599159890 /nfs/dbraw/zinc/15/98/90/599159890.db2.gz QLCQOZUYMZVOTO-CVEARBPZSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818658 599159891 /nfs/dbraw/zinc/15/98/91/599159891.db2.gz QLCQOZUYMZVOTO-CVEARBPZSA-N -1 3 397.429 3.938 20 0 GHADHM c1ccc2sc(SCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)nc2c1 ZINC000738404724 599159908 /nfs/dbraw/zinc/15/99/08/599159908.db2.gz JNKYMKWYLAOGEV-UHFFFAOYSA-N -1 3 393.457 3.819 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2F)CCN1c1ccccc1Cl ZINC000738297424 599171735 /nfs/dbraw/zinc/17/17/35/599171735.db2.gz SDLYARDTJGTQGV-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2F)CCN1c1ccccc1Cl ZINC000738297424 599171737 /nfs/dbraw/zinc/17/17/37/599171737.db2.gz SDLYARDTJGTQGV-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000735448065 599182114 /nfs/dbraw/zinc/18/21/14/599182114.db2.gz IBOCUSCTRJWAHO-BENRWUELSA-N -1 3 387.365 3.605 20 0 GHADHM CC(=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000735448065 599182115 /nfs/dbraw/zinc/18/21/15/599182115.db2.gz IBOCUSCTRJWAHO-BENRWUELSA-N -1 3 387.365 3.605 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1Cc2ccccc21 ZINC000738173910 599188229 /nfs/dbraw/zinc/18/82/29/599188229.db2.gz VMUQUSCDCKASBP-NRFANRHFSA-N -1 3 397.438 3.724 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1Cc2ccccc21 ZINC000738173910 599188232 /nfs/dbraw/zinc/18/82/32/599188232.db2.gz VMUQUSCDCKASBP-NRFANRHFSA-N -1 3 397.438 3.724 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000736637899 599188529 /nfs/dbraw/zinc/18/85/29/599188529.db2.gz UNWQWBLWUJPJIW-HNNXBMFYSA-N -1 3 382.424 3.536 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000736637899 599188531 /nfs/dbraw/zinc/18/85/31/599188531.db2.gz UNWQWBLWUJPJIW-HNNXBMFYSA-N -1 3 382.424 3.536 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000821949050 599186149 /nfs/dbraw/zinc/18/61/49/599186149.db2.gz FJPCYICKTAGZEJ-CRAIPNDOSA-N -1 3 395.488 3.673 20 0 GHADHM CS[C@@H]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821949050 599186150 /nfs/dbraw/zinc/18/61/50/599186150.db2.gz FJPCYICKTAGZEJ-CRAIPNDOSA-N -1 3 395.488 3.673 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820666261 599190284 /nfs/dbraw/zinc/19/02/84/599190284.db2.gz HIQRZUJYPQGYBC-MWDHEPDKSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820666261 599190287 /nfs/dbraw/zinc/19/02/87/599190287.db2.gz HIQRZUJYPQGYBC-MWDHEPDKSA-N -1 3 377.423 3.629 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823078439 599191128 /nfs/dbraw/zinc/19/11/28/599191128.db2.gz NACPUSFWEKHXJU-QFIPXVFZSA-N -1 3 395.466 3.735 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823078439 599191131 /nfs/dbraw/zinc/19/11/31/599191131.db2.gz NACPUSFWEKHXJU-QFIPXVFZSA-N -1 3 395.466 3.735 20 0 GHADHM CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000736508822 599194922 /nfs/dbraw/zinc/19/49/22/599194922.db2.gz OCALXBWSLLBTKK-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000736508822 599194923 /nfs/dbraw/zinc/19/49/23/599194923.db2.gz OCALXBWSLLBTKK-UHFFFAOYSA-N -1 3 383.839 3.937 20 0 GHADHM CCCc1sc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1CC ZINC000736500755 599202930 /nfs/dbraw/zinc/20/29/30/599202930.db2.gz RWOOJTORGIXIQY-UHFFFAOYSA-N -1 3 399.520 3.736 20 0 GHADHM CCCc1sc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000736500755 599202931 /nfs/dbraw/zinc/20/29/31/599202931.db2.gz RWOOJTORGIXIQY-UHFFFAOYSA-N -1 3 399.520 3.736 20 0 GHADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821160007 599211882 /nfs/dbraw/zinc/21/18/82/599211882.db2.gz FXIHTFBCLKZMOC-LJQANCHMSA-N -1 3 381.455 3.735 20 0 GHADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821160007 599211885 /nfs/dbraw/zinc/21/18/85/599211885.db2.gz FXIHTFBCLKZMOC-LJQANCHMSA-N -1 3 381.455 3.735 20 0 GHADHM CC(C)OCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820142088 599219695 /nfs/dbraw/zinc/21/96/95/599219695.db2.gz FITVTFWKFLRYBG-UHFFFAOYSA-N -1 3 385.399 3.552 20 0 GHADHM CC(C)OCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820142088 599219697 /nfs/dbraw/zinc/21/96/97/599219697.db2.gz FITVTFWKFLRYBG-UHFFFAOYSA-N -1 3 385.399 3.552 20 0 GHADHM O=C(CC(F)(F)F)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822935445 599221519 /nfs/dbraw/zinc/22/15/19/599221519.db2.gz LEXAIBKJMYSXFL-UHFFFAOYSA-N -1 3 381.289 3.689 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822233167 599221717 /nfs/dbraw/zinc/22/17/17/599221717.db2.gz IXAMIXCBXMXAQQ-SXQONABPSA-N -1 3 377.448 3.781 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822233167 599221718 /nfs/dbraw/zinc/22/17/18/599221718.db2.gz IXAMIXCBXMXAQQ-SXQONABPSA-N -1 3 377.448 3.781 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cscn1 ZINC000823357477 599222467 /nfs/dbraw/zinc/22/24/67/599222467.db2.gz WEFAYDVGTALTKZ-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cscn1 ZINC000823357477 599222469 /nfs/dbraw/zinc/22/24/69/599222469.db2.gz WEFAYDVGTALTKZ-UHFFFAOYSA-N -1 3 382.380 3.507 20 0 GHADHM C[C@@H](SCCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549315 599224927 /nfs/dbraw/zinc/22/49/27/599224927.db2.gz MCNSRPRQVNHPTE-CYBMUJFWSA-N -1 3 385.468 3.507 20 0 GHADHM C[C@@H](SCCC(=O)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549315 599224928 /nfs/dbraw/zinc/22/49/28/599224928.db2.gz MCNSRPRQVNHPTE-CYBMUJFWSA-N -1 3 385.468 3.507 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000737931149 599225402 /nfs/dbraw/zinc/22/54/02/599225402.db2.gz FQLQTWYLVOYUIG-LJQANCHMSA-N -1 3 393.516 3.758 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000737931149 599225404 /nfs/dbraw/zinc/22/54/04/599225404.db2.gz FQLQTWYLVOYUIG-LJQANCHMSA-N -1 3 393.516 3.758 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735752178 599225877 /nfs/dbraw/zinc/22/58/77/599225877.db2.gz YHFLXMHLCDSOHV-SFHVURJKSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735752178 599225880 /nfs/dbraw/zinc/22/58/80/599225880.db2.gz YHFLXMHLCDSOHV-SFHVURJKSA-N -1 3 392.463 3.705 20 0 GHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000737170381 599226640 /nfs/dbraw/zinc/22/66/40/599226640.db2.gz JSCBZJPNELBMTN-HUUCEWRRSA-N -1 3 393.516 3.938 20 0 GHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC000737170381 599226642 /nfs/dbraw/zinc/22/66/42/599226642.db2.gz JSCBZJPNELBMTN-HUUCEWRRSA-N -1 3 393.516 3.938 20 0 GHADHM CCc1ccccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821492351 607264888 /nfs/dbraw/zinc/26/48/88/607264888.db2.gz MWYDHNREOYLBDM-UHFFFAOYSA-N -1 3 386.415 3.869 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737626736 599234654 /nfs/dbraw/zinc/23/46/54/599234654.db2.gz KACJHGDQZBHHGR-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM FC(F)(F)C1(C(F)(F)F)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737626736 599234656 /nfs/dbraw/zinc/23/46/56/599234656.db2.gz KACJHGDQZBHHGR-UHFFFAOYSA-N -1 3 385.699 3.841 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380627 599235241 /nfs/dbraw/zinc/23/52/41/599235241.db2.gz XRIFQGUWNGMARY-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380627 599235243 /nfs/dbraw/zinc/23/52/43/599235243.db2.gz XRIFQGUWNGMARY-SNVBAGLBSA-N -1 3 387.241 3.512 20 0 GHADHM Cc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cccc1-c1nnn[n-]1 ZINC000822077381 607266371 /nfs/dbraw/zinc/26/63/71/607266371.db2.gz VBOMLPDTVLPKBN-UHFFFAOYSA-N -1 3 394.822 3.665 20 0 GHADHM Cc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cccc1-c1nn[n-]n1 ZINC000822077381 607266372 /nfs/dbraw/zinc/26/63/72/607266372.db2.gz VBOMLPDTVLPKBN-UHFFFAOYSA-N -1 3 394.822 3.665 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822104790 607287443 /nfs/dbraw/zinc/28/74/43/607287443.db2.gz QNKJPIKOFBEPCY-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1c(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822104790 607287444 /nfs/dbraw/zinc/28/74/44/607287444.db2.gz QNKJPIKOFBEPCY-UHFFFAOYSA-N -1 3 394.332 3.655 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)CC3 ZINC000822274603 607285104 /nfs/dbraw/zinc/28/51/04/607285104.db2.gz CGLLZJNHQSFCQS-UHFFFAOYSA-N -1 3 387.447 3.555 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)CC3 ZINC000822274603 607285105 /nfs/dbraw/zinc/28/51/05/607285105.db2.gz CGLLZJNHQSFCQS-UHFFFAOYSA-N -1 3 387.447 3.555 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737378442 599262406 /nfs/dbraw/zinc/26/24/06/599262406.db2.gz BPVDYYHGRREQJE-UHFFFAOYSA-N -1 3 383.455 3.701 20 0 GHADHM Cc1cccc(-c2ccc(CNC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737378442 599262408 /nfs/dbraw/zinc/26/24/08/599262408.db2.gz BPVDYYHGRREQJE-UHFFFAOYSA-N -1 3 383.455 3.701 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820898294 607308583 /nfs/dbraw/zinc/30/85/83/607308583.db2.gz YONKZJVNVLSSOV-AWEZNQCLSA-N -1 3 381.484 3.648 20 0 GHADHM CCC(CC)n1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820898294 607308584 /nfs/dbraw/zinc/30/85/84/607308584.db2.gz YONKZJVNVLSSOV-AWEZNQCLSA-N -1 3 381.484 3.648 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822578359 607313859 /nfs/dbraw/zinc/31/38/59/607313859.db2.gz HOOIQXISLSPRAN-ZDUSSCGKSA-N -1 3 391.884 3.752 20 0 GHADHM Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822578359 607313860 /nfs/dbraw/zinc/31/38/60/607313860.db2.gz HOOIQXISLSPRAN-ZDUSSCGKSA-N -1 3 391.884 3.752 20 0 GHADHM CCOCCOc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821383296 607314035 /nfs/dbraw/zinc/31/40/35/607314035.db2.gz BKXULCXOQWVIQQ-UHFFFAOYSA-N -1 3 379.873 3.609 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(Cl)cc1 ZINC000736487575 599276860 /nfs/dbraw/zinc/27/68/60/599276860.db2.gz IJHWASXBFHAZFW-UHFFFAOYSA-N -1 3 384.871 3.913 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1cccc(SC(F)F)c1 ZINC000823238420 599278109 /nfs/dbraw/zinc/27/81/09/599278109.db2.gz MZKPSGNUVUYZOK-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1cccc(SC(F)F)c1 ZINC000823238420 599278111 /nfs/dbraw/zinc/27/81/11/599278111.db2.gz MZKPSGNUVUYZOK-UHFFFAOYSA-N -1 3 394.382 3.642 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000736487832 599278978 /nfs/dbraw/zinc/27/89/78/599278978.db2.gz LJUVQWGFNVULNG-OLZOCXBDSA-N -1 3 396.417 3.996 20 0 GHADHM COc1ccc(-c2nc(COc3c(C)cc(-c4nn[n-]n4)cc3C)co2)cc1 ZINC000737058488 599283188 /nfs/dbraw/zinc/28/31/88/599283188.db2.gz YGVYJHVTTFQEHC-UHFFFAOYSA-N -1 3 377.404 3.726 20 0 GHADHM CCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502817 599285100 /nfs/dbraw/zinc/28/51/00/599285100.db2.gz DXXAVKKSWKDUFK-ZDUSSCGKSA-N -1 3 392.488 3.840 20 0 GHADHM CCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502817 599285103 /nfs/dbraw/zinc/28/51/03/599285103.db2.gz DXXAVKKSWKDUFK-ZDUSSCGKSA-N -1 3 392.488 3.840 20 0 GHADHM Cc1ccccc1-c1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000737416582 599288649 /nfs/dbraw/zinc/28/86/49/599288649.db2.gz CTBCHZNOHDNZRT-ZDUSSCGKSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1ccccc1-c1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000737416582 599288651 /nfs/dbraw/zinc/28/86/51/599288651.db2.gz CTBCHZNOHDNZRT-ZDUSSCGKSA-N -1 3 377.477 3.824 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822061346 607321056 /nfs/dbraw/zinc/32/10/56/607321056.db2.gz MRXSQXGXSJURLI-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822061346 607321057 /nfs/dbraw/zinc/32/10/57/607321057.db2.gz MRXSQXGXSJURLI-JTQLQIEISA-N -1 3 392.246 3.888 20 0 GHADHM CCCCOCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736460743 599290990 /nfs/dbraw/zinc/29/09/90/599290990.db2.gz OXDAOACNGWERFD-UHFFFAOYSA-N -1 3 381.436 3.723 20 0 GHADHM CCCCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736460743 599290992 /nfs/dbraw/zinc/29/09/92/599290992.db2.gz OXDAOACNGWERFD-UHFFFAOYSA-N -1 3 381.436 3.723 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC000820766262 607346051 /nfs/dbraw/zinc/34/60/51/607346051.db2.gz AXNADQLOPROUQY-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)O1 ZINC000820766262 607346054 /nfs/dbraw/zinc/34/60/54/607346054.db2.gz AXNADQLOPROUQY-SJCJKPOMSA-N -1 3 389.381 3.852 20 0 GHADHM O=C(C=Cc1cccnc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737799986 598232495 /nfs/dbraw/zinc/23/24/95/598232495.db2.gz JSOVBJSUQIBNAL-IZZDOVSWSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737796960 598232531 /nfs/dbraw/zinc/23/25/31/598232531.db2.gz HUXDTWWJJURFLO-IMTHGLKYSA-N -1 3 377.423 3.677 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000737796960 598232533 /nfs/dbraw/zinc/23/25/33/598232533.db2.gz HUXDTWWJJURFLO-IMTHGLKYSA-N -1 3 377.423 3.677 20 0 GHADHM O=C(Nc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1)C1CCCC1 ZINC000738182717 598241071 /nfs/dbraw/zinc/24/10/71/598241071.db2.gz HVNDAMSHLLHYRM-UHFFFAOYSA-N -1 3 380.427 3.747 20 0 GHADHM Fc1cccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cn2)c1 ZINC000737663207 598243679 /nfs/dbraw/zinc/24/36/79/598243679.db2.gz HTCRFQZSFMBPML-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738178220 598256539 /nfs/dbraw/zinc/25/65/39/598256539.db2.gz HTZOYZHTGMCLGQ-GOSISDBHSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000738178220 598256541 /nfs/dbraw/zinc/25/65/41/598256541.db2.gz HTZOYZHTGMCLGQ-GOSISDBHSA-N -1 3 380.427 3.635 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(C)cs1 ZINC000736363721 598263797 /nfs/dbraw/zinc/26/37/97/598263797.db2.gz OULNQNZYVGVTMJ-LBPRGKRZSA-N -1 3 377.861 3.558 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(C)cs1 ZINC000736363721 598263799 /nfs/dbraw/zinc/26/37/99/598263799.db2.gz OULNQNZYVGVTMJ-LBPRGKRZSA-N -1 3 377.861 3.558 20 0 GHADHM CN(Cc1ccco1)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736828849 598267452 /nfs/dbraw/zinc/26/74/52/598267452.db2.gz QMIPEYRDKXDMQO-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM CN(Cc1ccco1)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736828849 598267453 /nfs/dbraw/zinc/26/74/53/598267453.db2.gz QMIPEYRDKXDMQO-UHFFFAOYSA-N -1 3 390.403 3.916 20 0 GHADHM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740010 598278735 /nfs/dbraw/zinc/27/87/35/598278735.db2.gz XDZHLOLAKXBTRV-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740010 598278736 /nfs/dbraw/zinc/27/87/36/598278736.db2.gz XDZHLOLAKXBTRV-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737072604 598278926 /nfs/dbraw/zinc/27/89/26/598278926.db2.gz NPXJPFGGNNVHSH-CYBMUJFWSA-N -1 3 397.483 3.657 20 0 GHADHM COc1ccc([C@@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737072604 598278927 /nfs/dbraw/zinc/27/89/27/598278927.db2.gz NPXJPFGGNNVHSH-CYBMUJFWSA-N -1 3 397.483 3.657 20 0 GHADHM c1cc(NCc2nc(C3CC3)no2)cc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738418983 598283531 /nfs/dbraw/zinc/28/35/31/598283531.db2.gz KYEGQLDGPQITCK-UHFFFAOYSA-N -1 3 375.392 3.532 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3ccco3)nc2C)s1 ZINC000736679022 598295516 /nfs/dbraw/zinc/29/55/16/598295516.db2.gz IYWRGQHIQGQXNR-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3ccco3)nc2C)s1 ZINC000736679022 598295518 /nfs/dbraw/zinc/29/55/18/598295518.db2.gz IYWRGQHIQGQXNR-UHFFFAOYSA-N -1 3 380.433 3.706 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000737294922 598296102 /nfs/dbraw/zinc/29/61/02/598296102.db2.gz SXWBDAOUMXXVAD-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000737294922 598296104 /nfs/dbraw/zinc/29/61/04/598296104.db2.gz SXWBDAOUMXXVAD-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736324221 598297053 /nfs/dbraw/zinc/29/70/53/598297053.db2.gz CATXNWGESHBTEW-WONIAPNHSA-N -1 3 395.438 3.859 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736324221 598297055 /nfs/dbraw/zinc/29/70/55/598297055.db2.gz CATXNWGESHBTEW-WONIAPNHSA-N -1 3 395.438 3.859 20 0 GHADHM CCCCc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736466543 598297153 /nfs/dbraw/zinc/29/71/53/598297153.db2.gz MTHPEIVZZSRMDZ-UHFFFAOYSA-N -1 3 384.484 3.835 20 0 GHADHM CCCCc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736466543 598297154 /nfs/dbraw/zinc/29/71/54/598297154.db2.gz MTHPEIVZZSRMDZ-UHFFFAOYSA-N -1 3 384.484 3.835 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000737639323 598297661 /nfs/dbraw/zinc/29/76/61/598297661.db2.gz OMYSBBFKNGZTHP-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000737639323 598297664 /nfs/dbraw/zinc/29/76/64/598297664.db2.gz OMYSBBFKNGZTHP-UHFFFAOYSA-N -1 3 397.266 3.799 20 0 GHADHM Fc1cccc(-n2ccc(CSCCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000737669081 598313936 /nfs/dbraw/zinc/31/39/36/598313936.db2.gz ZGJBKUYPSINPIY-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM Fc1cccc(-n2ccc(CSCCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000737669081 598313937 /nfs/dbraw/zinc/31/39/37/598313937.db2.gz ZGJBKUYPSINPIY-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1cc(Cl)ccc1OC(F)F ZINC000737640646 598315884 /nfs/dbraw/zinc/31/58/84/598315884.db2.gz ZYKHMSRNWYDTMA-UHFFFAOYSA-N -1 3 383.761 3.550 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1cc(Cl)ccc1OC(F)F ZINC000737640646 598315886 /nfs/dbraw/zinc/31/58/86/598315886.db2.gz ZYKHMSRNWYDTMA-UHFFFAOYSA-N -1 3 383.761 3.550 20 0 GHADHM O=C1[C@H](S[C@@H]2CCCc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738297663 598316299 /nfs/dbraw/zinc/31/62/99/598316299.db2.gz TXZQRCVSCWGQPU-RTBURBONSA-N -1 3 391.500 3.783 20 0 GHADHM O=C1[C@H](S[C@@H]2CCCc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738297663 598316302 /nfs/dbraw/zinc/31/63/02/598316302.db2.gz TXZQRCVSCWGQPU-RTBURBONSA-N -1 3 391.500 3.783 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736327521 598321763 /nfs/dbraw/zinc/32/17/63/598321763.db2.gz MEABULHBYNZCHV-LLNWESEBSA-N -1 3 378.432 3.801 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736327521 598321764 /nfs/dbraw/zinc/32/17/64/598321764.db2.gz MEABULHBYNZCHV-LLNWESEBSA-N -1 3 378.432 3.801 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000736635779 598322170 /nfs/dbraw/zinc/32/21/70/598322170.db2.gz YZJKJTLOMSZRMA-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000736635779 598322172 /nfs/dbraw/zinc/32/21/72/598322172.db2.gz YZJKJTLOMSZRMA-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM COc1ccc([C@@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737074801 598324685 /nfs/dbraw/zinc/32/46/85/598324685.db2.gz ZHXAVSVWZWQARK-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccc([C@@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737074801 598324687 /nfs/dbraw/zinc/32/46/87/598324687.db2.gz ZHXAVSVWZWQARK-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1OC1CCCC1 ZINC000738098751 598324741 /nfs/dbraw/zinc/32/47/41/598324741.db2.gz BJSQGCOMBZWNDG-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1OC1CCCC1 ZINC000738098751 598324742 /nfs/dbraw/zinc/32/47/42/598324742.db2.gz BJSQGCOMBZWNDG-UHFFFAOYSA-N -1 3 396.426 3.649 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000736256838 598325600 /nfs/dbraw/zinc/32/56/00/598325600.db2.gz YTDRJRCAEKDSDV-QWQRMKEZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000736256838 598325602 /nfs/dbraw/zinc/32/56/02/598325602.db2.gz YTDRJRCAEKDSDV-QWQRMKEZSA-N -1 3 395.463 3.593 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738165234 598326035 /nfs/dbraw/zinc/32/60/35/598326035.db2.gz HFFYNGOREQWZTM-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1ccc(F)c(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738165234 598326037 /nfs/dbraw/zinc/32/60/37/598326037.db2.gz HFFYNGOREQWZTM-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247140 598326814 /nfs/dbraw/zinc/32/68/14/598326814.db2.gz AIPMRJIFERMDRH-RHSMWYFYSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247140 598326816 /nfs/dbraw/zinc/32/68/16/598326816.db2.gz AIPMRJIFERMDRH-RHSMWYFYSA-N -1 3 395.463 3.689 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737320556 598327244 /nfs/dbraw/zinc/32/72/44/598327244.db2.gz NADFVFMFQWWEMA-AWEZNQCLSA-N -1 3 382.443 3.525 20 0 GHADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737320556 598327246 /nfs/dbraw/zinc/32/72/46/598327246.db2.gz NADFVFMFQWWEMA-AWEZNQCLSA-N -1 3 382.443 3.525 20 0 GHADHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736167608 598331329 /nfs/dbraw/zinc/33/13/29/598331329.db2.gz FHGIPQSXZCSSKO-MNOVXSKESA-N -1 3 390.802 3.731 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000820115928 607350426 /nfs/dbraw/zinc/35/04/26/607350426.db2.gz CDZRKLNPSPLUAK-QGZVFWFLSA-N -1 3 381.505 3.785 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000820115928 607350427 /nfs/dbraw/zinc/35/04/27/607350427.db2.gz CDZRKLNPSPLUAK-QGZVFWFLSA-N -1 3 381.505 3.785 20 0 GHADHM Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1 ZINC000737392518 598365790 /nfs/dbraw/zinc/36/57/90/598365790.db2.gz XNBGBESRQBBHBI-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000737392518 598365792 /nfs/dbraw/zinc/36/57/92/598365792.db2.gz XNBGBESRQBBHBI-UHFFFAOYSA-N -1 3 386.415 3.544 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736118243 598369443 /nfs/dbraw/zinc/36/94/43/598369443.db2.gz LVONGGBEZGGXRA-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736118243 598369444 /nfs/dbraw/zinc/36/94/44/598369444.db2.gz LVONGGBEZGGXRA-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737145055 598370134 /nfs/dbraw/zinc/37/01/34/598370134.db2.gz ATVGQDCOFDGOSO-QGZVFWFLSA-N -1 3 378.436 3.634 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737145055 598370136 /nfs/dbraw/zinc/37/01/36/598370136.db2.gz ATVGQDCOFDGOSO-QGZVFWFLSA-N -1 3 378.436 3.634 20 0 GHADHM C[C@H](CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735975847 598370757 /nfs/dbraw/zinc/37/07/57/598370757.db2.gz KDUUQCAECNBVAZ-CQSZACIVSA-N -1 3 384.411 3.512 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cccc(Cl)c1Cl ZINC000738317676 598380707 /nfs/dbraw/zinc/38/07/07/598380707.db2.gz FNRVMQVMNZSJHL-JYRVWZFOSA-N -1 3 386.198 3.518 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cccc(Cl)c1Cl ZINC000738317676 598380709 /nfs/dbraw/zinc/38/07/09/598380709.db2.gz FNRVMQVMNZSJHL-JYRVWZFOSA-N -1 3 386.198 3.518 20 0 GHADHM CCCOc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000736489756 598390568 /nfs/dbraw/zinc/39/05/68/598390568.db2.gz AFRVEANWWMGVES-NSHDSACASA-N -1 3 388.859 3.886 20 0 GHADHM CCCOc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000736489756 598390570 /nfs/dbraw/zinc/39/05/70/598390570.db2.gz AFRVEANWWMGVES-NSHDSACASA-N -1 3 388.859 3.886 20 0 GHADHM CCCOc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000736489755 598390715 /nfs/dbraw/zinc/39/07/15/598390715.db2.gz AFRVEANWWMGVES-LLVKDONJSA-N -1 3 388.859 3.886 20 0 GHADHM CCCOc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000736489755 598390716 /nfs/dbraw/zinc/39/07/16/598390716.db2.gz AFRVEANWWMGVES-LLVKDONJSA-N -1 3 388.859 3.886 20 0 GHADHM Clc1ccc(N2CC[C@@H](CNc3ncc(-c4nnn[n-]4)cc3Cl)C2)cc1 ZINC000737577146 598392534 /nfs/dbraw/zinc/39/25/34/598392534.db2.gz UIAQNRYJZNTUDI-NSHDSACASA-N -1 3 390.278 3.507 20 0 GHADHM Clc1ccc(N2CC[C@@H](CNc3ncc(-c4nn[n-]n4)cc3Cl)C2)cc1 ZINC000737577146 598392536 /nfs/dbraw/zinc/39/25/36/598392536.db2.gz UIAQNRYJZNTUDI-NSHDSACASA-N -1 3 390.278 3.507 20 0 GHADHM CCn1ccnc1CSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000736723626 598392540 /nfs/dbraw/zinc/39/25/40/598392540.db2.gz YUADSXPAUWLTSI-UHFFFAOYSA-N -1 3 393.476 3.519 20 0 GHADHM CCn1ccnc1CSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000736723626 598392541 /nfs/dbraw/zinc/39/25/41/598392541.db2.gz YUADSXPAUWLTSI-UHFFFAOYSA-N -1 3 393.476 3.519 20 0 GHADHM Cc1ccc(C)c(CS[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737322756 598393256 /nfs/dbraw/zinc/39/32/56/598393256.db2.gz MYNODHBLZZMLEX-GOSISDBHSA-N -1 3 379.489 3.522 20 0 GHADHM Cc1ccc(C)c(CS[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737322756 598393258 /nfs/dbraw/zinc/39/32/58/598393258.db2.gz MYNODHBLZZMLEX-GOSISDBHSA-N -1 3 379.489 3.522 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736797315 598393666 /nfs/dbraw/zinc/39/36/66/598393666.db2.gz GOQQAWUBFXNZPH-UHFFFAOYSA-N -1 3 395.854 3.639 20 0 GHADHM CN(CCCc1cc(-c2ccccc2)no1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736797315 598393668 /nfs/dbraw/zinc/39/36/68/598393668.db2.gz GOQQAWUBFXNZPH-UHFFFAOYSA-N -1 3 395.854 3.639 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737371985 598394067 /nfs/dbraw/zinc/39/40/67/598394067.db2.gz SIMCHTPUHBVDAD-INIZCTEOSA-N -1 3 384.896 3.802 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737371985 598394068 /nfs/dbraw/zinc/39/40/68/598394068.db2.gz SIMCHTPUHBVDAD-INIZCTEOSA-N -1 3 384.896 3.802 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000821104555 607356057 /nfs/dbraw/zinc/35/60/57/607356057.db2.gz ILLDYNMAORVICD-UHFFFAOYSA-N -1 3 392.463 3.904 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000821104555 607356058 /nfs/dbraw/zinc/35/60/58/607356058.db2.gz ILLDYNMAORVICD-UHFFFAOYSA-N -1 3 392.463 3.904 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1cccs1 ZINC000107241967 598418982 /nfs/dbraw/zinc/41/89/82/598418982.db2.gz RFKOUMOMMHXAFD-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1cccs1 ZINC000107241967 598418983 /nfs/dbraw/zinc/41/89/83/598418983.db2.gz RFKOUMOMMHXAFD-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736182974 598422511 /nfs/dbraw/zinc/42/25/11/598422511.db2.gz IIMSUQNJJYYVSO-STQMWFEESA-N -1 3 393.472 3.726 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736182974 598422514 /nfs/dbraw/zinc/42/25/14/598422514.db2.gz IIMSUQNJJYYVSO-STQMWFEESA-N -1 3 393.472 3.726 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(Cl)s1 ZINC000735874076 598427254 /nfs/dbraw/zinc/42/72/54/598427254.db2.gz MBOFOVKMIBXJIG-UHFFFAOYSA-N -1 3 390.900 3.702 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(Cl)s1 ZINC000735874076 598427256 /nfs/dbraw/zinc/42/72/56/598427256.db2.gz MBOFOVKMIBXJIG-UHFFFAOYSA-N -1 3 390.900 3.702 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000736017568 598429668 /nfs/dbraw/zinc/42/96/68/598429668.db2.gz PQVTYFPOBSJWRF-OAHLLOKOSA-N -1 3 396.470 3.730 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000736017568 598429670 /nfs/dbraw/zinc/42/96/70/598429670.db2.gz PQVTYFPOBSJWRF-OAHLLOKOSA-N -1 3 396.470 3.730 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000738232532 598434025 /nfs/dbraw/zinc/43/40/25/598434025.db2.gz RTKJRMXVOLBFIN-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000738232532 598434027 /nfs/dbraw/zinc/43/40/27/598434027.db2.gz RTKJRMXVOLBFIN-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc(-c2ccccc2C)n1 ZINC000737023109 598441123 /nfs/dbraw/zinc/44/11/23/598441123.db2.gz BBDMQODSFBLUHU-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc(-c2ccccc2C)n1 ZINC000737023109 598441125 /nfs/dbraw/zinc/44/11/25/598441125.db2.gz BBDMQODSFBLUHU-UHFFFAOYSA-N -1 3 393.428 3.526 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C(C)c1ccccc1OC ZINC000736481696 598442586 /nfs/dbraw/zinc/44/25/86/598442586.db2.gz ZPQHEAIYTUKLGQ-PEZBUJJGSA-N -1 3 391.475 3.717 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=C(C)c1ccccc1OC ZINC000736481696 598442588 /nfs/dbraw/zinc/44/25/88/598442588.db2.gz ZPQHEAIYTUKLGQ-PEZBUJJGSA-N -1 3 391.475 3.717 20 0 GHADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736425585 598452285 /nfs/dbraw/zinc/45/22/85/598452285.db2.gz IWGIDKHSIQHNMY-SFHVURJKSA-N -1 3 378.480 3.525 20 0 GHADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736425585 598452287 /nfs/dbraw/zinc/45/22/87/598452287.db2.gz IWGIDKHSIQHNMY-SFHVURJKSA-N -1 3 378.480 3.525 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1Cl ZINC000737570132 598461251 /nfs/dbraw/zinc/46/12/51/598461251.db2.gz CBDXFNBWGCTWBT-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)cc1Cl ZINC000737570132 598461253 /nfs/dbraw/zinc/46/12/53/598461253.db2.gz CBDXFNBWGCTWBT-KRWDZBQOSA-N -1 3 390.274 3.747 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738178890 598464273 /nfs/dbraw/zinc/46/42/73/598464273.db2.gz ZRESNUNVLCIUFG-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738178890 598464275 /nfs/dbraw/zinc/46/42/75/598464275.db2.gz ZRESNUNVLCIUFG-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738000428 598478629 /nfs/dbraw/zinc/47/86/29/598478629.db2.gz FEXYLSYUSJYWNT-HXUWFJFHSA-N -1 3 388.475 3.692 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738000428 598478630 /nfs/dbraw/zinc/47/86/30/598478630.db2.gz FEXYLSYUSJYWNT-HXUWFJFHSA-N -1 3 388.475 3.692 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000737288120 598485135 /nfs/dbraw/zinc/48/51/35/598485135.db2.gz KEQOTZNZUPMXFW-LBPRGKRZSA-N -1 3 395.444 3.739 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000737288120 598485136 /nfs/dbraw/zinc/48/51/36/598485136.db2.gz KEQOTZNZUPMXFW-LBPRGKRZSA-N -1 3 395.444 3.739 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737139948 598489011 /nfs/dbraw/zinc/48/90/11/598489011.db2.gz BIXZKMCNXWBFAZ-ZDUSSCGKSA-N -1 3 382.468 3.564 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737139948 598489013 /nfs/dbraw/zinc/48/90/13/598489013.db2.gz BIXZKMCNXWBFAZ-ZDUSSCGKSA-N -1 3 382.468 3.564 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000735659479 598489531 /nfs/dbraw/zinc/48/95/31/598489531.db2.gz AIRWGHSWOJHZCD-UHFFFAOYSA-N -1 3 392.385 3.623 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000735659479 598489533 /nfs/dbraw/zinc/48/95/33/598489533.db2.gz AIRWGHSWOJHZCD-UHFFFAOYSA-N -1 3 392.385 3.623 20 0 GHADHM CC(C)CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827017 598493205 /nfs/dbraw/zinc/49/32/05/598493205.db2.gz ADOSBFNQSFLEHC-UHFFFAOYSA-N -1 3 394.460 3.886 20 0 GHADHM CC(C)CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827017 598493206 /nfs/dbraw/zinc/49/32/06/598493206.db2.gz ADOSBFNQSFLEHC-UHFFFAOYSA-N -1 3 394.460 3.886 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000738173858 598498835 /nfs/dbraw/zinc/49/88/35/598498835.db2.gz UQRDDNGCKVQLHG-CYBMUJFWSA-N -1 3 399.838 3.678 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000738173858 598498837 /nfs/dbraw/zinc/49/88/37/598498837.db2.gz UQRDDNGCKVQLHG-CYBMUJFWSA-N -1 3 399.838 3.678 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738100879 598535855 /nfs/dbraw/zinc/53/58/55/598535855.db2.gz UAEVBKIJOZJAHA-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000738100879 598535857 /nfs/dbraw/zinc/53/58/57/598535857.db2.gz UAEVBKIJOZJAHA-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000736159087 598538604 /nfs/dbraw/zinc/53/86/04/598538604.db2.gz UJNRVLDEWPROHA-CQSZACIVSA-N -1 3 390.399 3.957 20 0 GHADHM CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000736508395 598538886 /nfs/dbraw/zinc/53/88/86/598538886.db2.gz LDZFUROJQPQZFN-UHFFFAOYSA-N -1 3 395.463 3.834 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c(C)[nH]1 ZINC000737238472 598544064 /nfs/dbraw/zinc/54/40/64/598544064.db2.gz NSKHAJKWMNCTGK-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c(C)[nH]1 ZINC000737238472 598544066 /nfs/dbraw/zinc/54/40/66/598544066.db2.gz NSKHAJKWMNCTGK-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735666614 598547329 /nfs/dbraw/zinc/54/73/29/598547329.db2.gz PXUVZNZEKUEIGB-QXMHVHEDSA-N -1 3 381.867 3.627 20 0 GHADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735666614 598547330 /nfs/dbraw/zinc/54/73/30/598547330.db2.gz PXUVZNZEKUEIGB-QXMHVHEDSA-N -1 3 381.867 3.627 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(-n2cccc2)cc1 ZINC000738144164 598547736 /nfs/dbraw/zinc/54/77/36/598547736.db2.gz ACLCAUHEGXQHAN-UHFFFAOYSA-N -1 3 396.357 3.511 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(-n2cccc2)cc1 ZINC000738144164 598547738 /nfs/dbraw/zinc/54/77/38/598547738.db2.gz ACLCAUHEGXQHAN-UHFFFAOYSA-N -1 3 396.357 3.511 20 0 GHADHM Cc1c[nH]cc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737279260 598549954 /nfs/dbraw/zinc/54/99/54/598549954.db2.gz IJHYJOHXCRFBTE-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM Cc1c[nH]cc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737279260 598549956 /nfs/dbraw/zinc/54/99/56/598549956.db2.gz IJHYJOHXCRFBTE-UHFFFAOYSA-N -1 3 388.431 3.643 20 0 GHADHM CC(C)COCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735836615 598555033 /nfs/dbraw/zinc/55/50/33/598555033.db2.gz ABEOEZHJNRADOK-UHFFFAOYSA-N -1 3 381.436 3.660 20 0 GHADHM CC(C)COCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735836615 598555034 /nfs/dbraw/zinc/55/50/34/598555034.db2.gz ABEOEZHJNRADOK-UHFFFAOYSA-N -1 3 381.436 3.660 20 0 GHADHM O=C(COC1CCCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737915363 598555227 /nfs/dbraw/zinc/55/52/27/598555227.db2.gz FOBVKABIZHYZSH-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(COC1CCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737915363 598555229 /nfs/dbraw/zinc/55/52/29/598555229.db2.gz FOBVKABIZHYZSH-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM Cc1noc([C@@H](C)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2C)n1 ZINC000737536000 598555433 /nfs/dbraw/zinc/55/54/33/598555433.db2.gz CRRKRMYKNNEQHO-CYBMUJFWSA-N -1 3 391.435 3.619 20 0 GHADHM Cc1noc([C@@H](C)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2C)n1 ZINC000737536000 598555435 /nfs/dbraw/zinc/55/54/35/598555435.db2.gz CRRKRMYKNNEQHO-CYBMUJFWSA-N -1 3 391.435 3.619 20 0 GHADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236188 598558507 /nfs/dbraw/zinc/55/85/07/598558507.db2.gz ILSOEGIXNFAYMF-ZBEGNZNMSA-N -1 3 398.854 3.629 20 0 GHADHM C[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236188 598558509 /nfs/dbraw/zinc/55/85/09/598558509.db2.gz ILSOEGIXNFAYMF-ZBEGNZNMSA-N -1 3 398.854 3.629 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736422938 598559586 /nfs/dbraw/zinc/55/95/86/598559586.db2.gz LCRSNEHRBJPCFO-CABCVRRESA-N -1 3 394.479 3.764 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736422938 598559587 /nfs/dbraw/zinc/55/95/87/598559587.db2.gz LCRSNEHRBJPCFO-CABCVRRESA-N -1 3 394.479 3.764 20 0 GHADHM O=C(NCC1CCCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738047033 598561828 /nfs/dbraw/zinc/56/18/28/598561828.db2.gz ZZPZLAZVVHFJJH-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM O=C(NCC1CCCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738047033 598561829 /nfs/dbraw/zinc/56/18/29/598561829.db2.gz ZZPZLAZVVHFJJH-UHFFFAOYSA-N -1 3 378.436 3.971 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000736017330 598563236 /nfs/dbraw/zinc/56/32/36/598563236.db2.gz LPNKJXWPIYLUBP-ZDUSSCGKSA-N -1 3 378.436 3.827 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000736017330 598563237 /nfs/dbraw/zinc/56/32/37/598563237.db2.gz LPNKJXWPIYLUBP-ZDUSSCGKSA-N -1 3 378.436 3.827 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000736017329 598563493 /nfs/dbraw/zinc/56/34/93/598563493.db2.gz LPNKJXWPIYLUBP-CYBMUJFWSA-N -1 3 378.436 3.827 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000736017329 598563494 /nfs/dbraw/zinc/56/34/94/598563494.db2.gz LPNKJXWPIYLUBP-CYBMUJFWSA-N -1 3 378.436 3.827 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000737853937 598588414 /nfs/dbraw/zinc/58/84/14/598588414.db2.gz XBCXNADAYWUDKG-UHFFFAOYSA-N -1 3 385.830 3.571 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000737853937 598588416 /nfs/dbraw/zinc/58/84/16/598588416.db2.gz XBCXNADAYWUDKG-UHFFFAOYSA-N -1 3 385.830 3.571 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)c1cc[nH]c1 ZINC000738174470 598589710 /nfs/dbraw/zinc/58/97/10/598589710.db2.gz ZOMNDGYZSVAPBB-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)c1cc[nH]c1 ZINC000738174470 598589712 /nfs/dbraw/zinc/58/97/12/598589712.db2.gz ZOMNDGYZSVAPBB-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736496268 598598957 /nfs/dbraw/zinc/59/89/57/598598957.db2.gz BWVDYLXSDIECAR-UHFFFAOYSA-N -1 3 381.411 3.560 20 0 GHADHM CCCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736496268 598598959 /nfs/dbraw/zinc/59/89/59/598598959.db2.gz BWVDYLXSDIECAR-UHFFFAOYSA-N -1 3 381.411 3.560 20 0 GHADHM O=C(CCSc1ccccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737850149 598599465 /nfs/dbraw/zinc/59/94/65/598599465.db2.gz KXJVHYBDVNPHAD-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737850149 598599467 /nfs/dbraw/zinc/59/94/67/598599467.db2.gz KXJVHYBDVNPHAD-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM CC(C)(C)/C=C/C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735592584 598624959 /nfs/dbraw/zinc/62/49/59/598624959.db2.gz BRZGCALRPYOAHF-ZHACJKMWSA-N -1 3 377.448 3.987 20 0 GHADHM CC(C)(C)/C=C/C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735592584 598624962 /nfs/dbraw/zinc/62/49/62/598624962.db2.gz BRZGCALRPYOAHF-ZHACJKMWSA-N -1 3 377.448 3.987 20 0 GHADHM Cc1cc(C)c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737247553 598643554 /nfs/dbraw/zinc/64/35/54/598643554.db2.gz XREMLTMWDMNADP-UHFFFAOYSA-N -1 3 379.464 3.980 20 0 GHADHM Cc1cc(C)c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737247553 598643556 /nfs/dbraw/zinc/64/35/56/598643556.db2.gz XREMLTMWDMNADP-UHFFFAOYSA-N -1 3 379.464 3.980 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1C ZINC000737398634 598644041 /nfs/dbraw/zinc/64/40/41/598644041.db2.gz CTQJTAPEKMPCPN-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1C ZINC000737398634 598644043 /nfs/dbraw/zinc/64/40/43/598644043.db2.gz CTQJTAPEKMPCPN-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM S=C(NC[C@@H]1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400221 598644528 /nfs/dbraw/zinc/64/45/28/598644528.db2.gz AXOHHQIFDVNIMF-LBPRGKRZSA-N -1 3 384.896 3.537 20 0 GHADHM S=C(NC[C@@H]1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400221 598644530 /nfs/dbraw/zinc/64/45/30/598644530.db2.gz AXOHHQIFDVNIMF-LBPRGKRZSA-N -1 3 384.896 3.537 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)cc1 ZINC000737840995 598645531 /nfs/dbraw/zinc/64/55/31/598645531.db2.gz HTVRZRUKNFLOBZ-UHFFFAOYSA-N -1 3 386.839 3.813 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)cc1 ZINC000737840995 598645533 /nfs/dbraw/zinc/64/55/33/598645533.db2.gz HTVRZRUKNFLOBZ-UHFFFAOYSA-N -1 3 386.839 3.813 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1 ZINC000735495172 598646050 /nfs/dbraw/zinc/64/60/50/598646050.db2.gz CJASSRMJLLSJSG-SNVBAGLBSA-N -1 3 381.461 3.508 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1 ZINC000735495172 598646052 /nfs/dbraw/zinc/64/60/52/598646052.db2.gz CJASSRMJLLSJSG-SNVBAGLBSA-N -1 3 381.461 3.508 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736103071 598646332 /nfs/dbraw/zinc/64/63/32/598646332.db2.gz VXWGCTMAHJDDON-CQSZACIVSA-N -1 3 399.882 3.947 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736103071 598646334 /nfs/dbraw/zinc/64/63/34/598646334.db2.gz VXWGCTMAHJDDON-CQSZACIVSA-N -1 3 399.882 3.947 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736481030 598646402 /nfs/dbraw/zinc/64/64/02/598646402.db2.gz QHWXPRIPMZEWNZ-UHFFFAOYSA-N -1 3 393.491 3.855 20 0 GHADHM CCCN(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736481030 598646403 /nfs/dbraw/zinc/64/64/03/598646403.db2.gz QHWXPRIPMZEWNZ-UHFFFAOYSA-N -1 3 393.491 3.855 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736267722 598647080 /nfs/dbraw/zinc/64/70/80/598647080.db2.gz CHVRNVOSAIZACK-LIRRHRJNSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736267722 598647082 /nfs/dbraw/zinc/64/70/82/598647082.db2.gz CHVRNVOSAIZACK-LIRRHRJNSA-N -1 3 377.448 3.968 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000737946314 598647716 /nfs/dbraw/zinc/64/77/16/598647716.db2.gz AHLNSOXKELUITH-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000737946314 598647718 /nfs/dbraw/zinc/64/77/18/598647718.db2.gz AHLNSOXKELUITH-UHFFFAOYSA-N -1 3 381.244 3.871 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC1(c2ccccc2)CCC1 ZINC000737833541 598649097 /nfs/dbraw/zinc/64/90/97/598649097.db2.gz VVNJFFDEMUXGKF-UHFFFAOYSA-N -1 3 391.475 3.611 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC1(c2ccccc2)CCC1 ZINC000737833541 598649099 /nfs/dbraw/zinc/64/90/99/598649099.db2.gz VVNJFFDEMUXGKF-UHFFFAOYSA-N -1 3 391.475 3.611 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2cc(Cl)ccc21 ZINC000737943711 598654338 /nfs/dbraw/zinc/65/43/38/598654338.db2.gz VYQDGHDHYQTTGE-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2cc(Cl)ccc21 ZINC000737943711 598654340 /nfs/dbraw/zinc/65/43/40/598654340.db2.gz VYQDGHDHYQTTGE-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM CC(C)C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735781153 598654522 /nfs/dbraw/zinc/65/45/22/598654522.db2.gz CEDANFKBVJVWBH-HNNXBMFYSA-N -1 3 387.534 3.924 20 0 GHADHM CC(C)C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735781153 598654524 /nfs/dbraw/zinc/65/45/24/598654524.db2.gz CEDANFKBVJVWBH-HNNXBMFYSA-N -1 3 387.534 3.924 20 0 GHADHM O=C(NCCc1ccsc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738087335 598654641 /nfs/dbraw/zinc/65/46/41/598654641.db2.gz DYXQWFSTQVLCQX-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(NCCc1ccsc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738087335 598654642 /nfs/dbraw/zinc/65/46/42/598654642.db2.gz DYXQWFSTQVLCQX-UHFFFAOYSA-N -1 3 391.456 3.693 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(-c2nccs2)c1 ZINC000737947729 598656134 /nfs/dbraw/zinc/65/61/34/598656134.db2.gz OQBVMBFHWPMHGJ-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2nccs2)c1 ZINC000737947729 598656135 /nfs/dbraw/zinc/65/61/35/598656135.db2.gz OQBVMBFHWPMHGJ-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736436697 598657298 /nfs/dbraw/zinc/65/72/98/598657298.db2.gz SJZIUXPOEOVOAH-APWZRJJASA-N -1 3 385.512 3.891 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736436697 598657300 /nfs/dbraw/zinc/65/73/00/598657300.db2.gz SJZIUXPOEOVOAH-APWZRJJASA-N -1 3 385.512 3.891 20 0 GHADHM CCn1cnc2c1ncnc2Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736723344 598664870 /nfs/dbraw/zinc/66/48/70/598664870.db2.gz XAQXUBXDFBLNSP-UHFFFAOYSA-N -1 3 399.418 3.562 20 0 GHADHM C[C@H]1Cc2ccccc2N(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736298102 598664885 /nfs/dbraw/zinc/66/48/85/598664885.db2.gz OSNACNPPVBJGCE-INIZCTEOSA-N -1 3 391.475 3.641 20 0 GHADHM C[C@H]1Cc2ccccc2N(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736298102 598664887 /nfs/dbraw/zinc/66/48/87/598664887.db2.gz OSNACNPPVBJGCE-INIZCTEOSA-N -1 3 391.475 3.641 20 0 GHADHM O=C(Nc1n[nH]c2ccccc21)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738199129 598665508 /nfs/dbraw/zinc/66/55/08/598665508.db2.gz SDUVABHVACDAOU-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM CN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000736857805 598669485 /nfs/dbraw/zinc/66/94/85/598669485.db2.gz UKPMPDXRGXPLRX-UHFFFAOYSA-N -1 3 396.454 3.630 20 0 GHADHM CN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000736857805 598669487 /nfs/dbraw/zinc/66/94/87/598669487.db2.gz UKPMPDXRGXPLRX-UHFFFAOYSA-N -1 3 396.454 3.630 20 0 GHADHM Cc1nnc(Oc2ccc(Sc3ccncc3)cc2)c(-c2nnn[n-]2)c1C ZINC000737532053 598672231 /nfs/dbraw/zinc/67/22/31/598672231.db2.gz IUAGMUVVZKLPHN-UHFFFAOYSA-N -1 3 377.433 3.612 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@H](c4ccco4)C3)c2c1 ZINC000737640068 598677135 /nfs/dbraw/zinc/67/71/35/598677135.db2.gz ZDGBYYJFTDATSI-LLVKDONJSA-N -1 3 398.373 3.603 20 0 GHADHM FC(F)Oc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@H](c4ccco4)C3)c2c1 ZINC000737640068 598677137 /nfs/dbraw/zinc/67/71/37/598677137.db2.gz ZDGBYYJFTDATSI-LLVKDONJSA-N -1 3 398.373 3.603 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)nc2c1cccc2F ZINC000736721005 598683885 /nfs/dbraw/zinc/68/38/85/598683885.db2.gz ZIYZTWXTLVERQM-UHFFFAOYSA-N -1 3 393.470 3.786 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000738253609 598695808 /nfs/dbraw/zinc/69/58/08/598695808.db2.gz DXBISLOHGNGOFR-UHFFFAOYSA-N -1 3 390.422 3.507 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000738253609 598695809 /nfs/dbraw/zinc/69/58/09/598695809.db2.gz DXBISLOHGNGOFR-UHFFFAOYSA-N -1 3 390.422 3.507 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Oc2ccccc2)nc1 ZINC000738236345 598708558 /nfs/dbraw/zinc/70/85/58/598708558.db2.gz VGIVGANRVKPYBQ-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)nc1 ZINC000738236345 598708560 /nfs/dbraw/zinc/70/85/60/598708560.db2.gz VGIVGANRVKPYBQ-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738235351 598710577 /nfs/dbraw/zinc/71/05/77/598710577.db2.gz KNKNOYPMQNSJGJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738235351 598710579 /nfs/dbraw/zinc/71/05/79/598710579.db2.gz KNKNOYPMQNSJGJ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114555 598716548 /nfs/dbraw/zinc/71/65/48/598716548.db2.gz URSBHFGVBFHPAK-CYBMUJFWSA-N -1 3 398.898 3.902 20 0 GHADHM C[C@@H](NC(=O)NC(C)(C)Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114555 598716550 /nfs/dbraw/zinc/71/65/50/598716550.db2.gz URSBHFGVBFHPAK-CYBMUJFWSA-N -1 3 398.898 3.902 20 0 GHADHM Cc1ccccc1COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737428932 598726333 /nfs/dbraw/zinc/72/63/33/598726333.db2.gz YHPJMDNJNPBALO-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1ccccc1COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737428932 598726335 /nfs/dbraw/zinc/72/63/35/598726335.db2.gz YHPJMDNJNPBALO-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccco2)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507553 598736202 /nfs/dbraw/zinc/73/62/02/598736202.db2.gz FLMXNDPNNTVJNZ-GFCCVEGCSA-N -1 3 394.460 3.807 20 0 GHADHM CCN(C(=O)c1cnc(-c2ccco2)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507553 598736203 /nfs/dbraw/zinc/73/62/03/598736203.db2.gz FLMXNDPNNTVJNZ-GFCCVEGCSA-N -1 3 394.460 3.807 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736154324 598740183 /nfs/dbraw/zinc/74/01/83/598740183.db2.gz UCTWFQPGJOPRCC-OALRPVAKSA-N -1 3 394.822 3.714 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921721 598743511 /nfs/dbraw/zinc/74/35/11/598743511.db2.gz ZGMRQXCKAJDDQA-CQSZACIVSA-N -1 3 381.505 3.787 20 0 GHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735921721 598743513 /nfs/dbraw/zinc/74/35/13/598743513.db2.gz ZGMRQXCKAJDDQA-CQSZACIVSA-N -1 3 381.505 3.787 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736168548 598746732 /nfs/dbraw/zinc/74/67/32/598746732.db2.gz INDCMQNFMKDGIG-MRXNPFEDSA-N -1 3 393.491 3.709 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000735922548 598746740 /nfs/dbraw/zinc/74/67/40/598746740.db2.gz LLODKXMJGUYREF-UHFFFAOYSA-N -1 3 391.475 3.674 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cnn1-c1ccccc1Cl ZINC000737294905 598754022 /nfs/dbraw/zinc/75/40/22/598754022.db2.gz SLXYEGKJKRHNDH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cnn1-c1ccccc1Cl ZINC000737294905 598754023 /nfs/dbraw/zinc/75/40/23/598754023.db2.gz SLXYEGKJKRHNDH-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736534256 598760664 /nfs/dbraw/zinc/76/06/64/598760664.db2.gz JQIYIPMUNRJUIW-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736534256 598760665 /nfs/dbraw/zinc/76/06/65/598760665.db2.gz JQIYIPMUNRJUIW-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCN(C(=O)C[C@H](C)C(=O)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503207 598765642 /nfs/dbraw/zinc/76/56/42/598765642.db2.gz TXJYJTFNJPEFNX-JKSUJKDBSA-N -1 3 391.475 3.685 20 0 GHADHM CCN(C(=O)C[C@H](C)C(=O)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503207 598765644 /nfs/dbraw/zinc/76/56/44/598765644.db2.gz TXJYJTFNJPEFNX-JKSUJKDBSA-N -1 3 391.475 3.685 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737419130 598779741 /nfs/dbraw/zinc/77/97/41/598779741.db2.gz CPTUGQGOYQRCGY-IFXJQAMLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737419130 598779744 /nfs/dbraw/zinc/77/97/44/598779744.db2.gz CPTUGQGOYQRCGY-IFXJQAMLSA-N -1 3 376.464 3.687 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736211221 598782200 /nfs/dbraw/zinc/78/22/00/598782200.db2.gz MRBJJOIODFEDRN-AWEZNQCLSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736211221 598782201 /nfs/dbraw/zinc/78/22/01/598782201.db2.gz MRBJJOIODFEDRN-AWEZNQCLSA-N -1 3 378.436 3.827 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737415408 598782925 /nfs/dbraw/zinc/78/29/25/598782925.db2.gz QOQUWVZUYYMBGF-LJQANCHMSA-N -1 3 378.480 3.714 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737415408 598782927 /nfs/dbraw/zinc/78/29/27/598782927.db2.gz QOQUWVZUYYMBGF-LJQANCHMSA-N -1 3 378.480 3.714 20 0 GHADHM CCCCOc1ccccc1COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736463178 598786422 /nfs/dbraw/zinc/78/64/22/598786422.db2.gz MBGNQKGGYBFJIV-HNNXBMFYSA-N -1 3 396.447 3.556 20 0 GHADHM CCCCOc1ccccc1COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736463178 598786423 /nfs/dbraw/zinc/78/64/23/598786423.db2.gz MBGNQKGGYBFJIV-HNNXBMFYSA-N -1 3 396.447 3.556 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281827 598788879 /nfs/dbraw/zinc/78/88/79/598788879.db2.gz XSAZIACPQCCIEQ-RISCZKNCSA-N -1 3 379.489 3.722 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281827 598788881 /nfs/dbraw/zinc/78/88/81/598788881.db2.gz XSAZIACPQCCIEQ-RISCZKNCSA-N -1 3 379.489 3.722 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@H]3CCC[C@H](C)C3)c2-c2nnn[n-]2)C1 ZINC000736281337 598789777 /nfs/dbraw/zinc/78/97/77/598789777.db2.gz VEOSPTIKCYATGS-XQQFMLRXSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@H]3CCC[C@H](C)C3)c2-c2nn[n-]n2)C1 ZINC000736281337 598789778 /nfs/dbraw/zinc/78/97/78/598789778.db2.gz VEOSPTIKCYATGS-XQQFMLRXSA-N -1 3 389.525 3.587 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCSCC1 ZINC000738171153 598792134 /nfs/dbraw/zinc/79/21/34/598792134.db2.gz CQWBOVPWAHVFBA-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCSCC1 ZINC000738171153 598792135 /nfs/dbraw/zinc/79/21/35/598792135.db2.gz CQWBOVPWAHVFBA-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM O=C(C[C@H]1CCCc2ccccc21)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737824044 598807791 /nfs/dbraw/zinc/80/77/91/598807791.db2.gz SYWXOCDXERSFGS-QGZVFWFLSA-N -1 3 399.458 3.501 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736194261 598813724 /nfs/dbraw/zinc/81/37/24/598813724.db2.gz YRWBJTMBEKGHFV-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736194261 598813726 /nfs/dbraw/zinc/81/37/26/598813726.db2.gz YRWBJTMBEKGHFV-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM Cc1cc(N2CC[C@@H]2c2ccccc2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270621 598815556 /nfs/dbraw/zinc/81/55/56/598815556.db2.gz DTMXOADTAJTFQL-QGZVFWFLSA-N -1 3 381.443 3.927 20 0 GHADHM Cc1cc(N2CC[C@@H]2c2ccccc2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270621 598815557 /nfs/dbraw/zinc/81/55/57/598815557.db2.gz DTMXOADTAJTFQL-QGZVFWFLSA-N -1 3 381.443 3.927 20 0 GHADHM CC[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(C)C ZINC000736333044 598817067 /nfs/dbraw/zinc/81/70/67/598817067.db2.gz PGIRBPXXSWLPOG-AWEZNQCLSA-N -1 3 383.418 3.830 20 0 GHADHM CC[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(C)C ZINC000736333044 598817069 /nfs/dbraw/zinc/81/70/69/598817069.db2.gz PGIRBPXXSWLPOG-AWEZNQCLSA-N -1 3 383.418 3.830 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735734239 598822533 /nfs/dbraw/zinc/82/25/33/598822533.db2.gz FOQUOKMSVAIHGR-IBGZPJMESA-N -1 3 399.882 3.755 20 0 GHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735734239 598822534 /nfs/dbraw/zinc/82/25/34/598822534.db2.gz FOQUOKMSVAIHGR-IBGZPJMESA-N -1 3 399.882 3.755 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1OC1CCC1 ZINC000738212521 599293311 /nfs/dbraw/zinc/29/33/11/599293311.db2.gz WFMOCSKNUXQNJV-UHFFFAOYSA-N -1 3 395.488 3.991 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1ccccc1OC1CCC1 ZINC000738212521 599293313 /nfs/dbraw/zinc/29/33/13/599293313.db2.gz WFMOCSKNUXQNJV-UHFFFAOYSA-N -1 3 395.488 3.991 20 0 GHADHM O=C([C@H]1C[C@@]12CCCc1ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822916783 599311593 /nfs/dbraw/zinc/31/15/93/599311593.db2.gz DBKBSOKXYFJICM-ZJSXRUAMSA-N -1 3 399.498 3.652 20 0 GHADHM O=C([C@H]1C[C@@]12CCCc1ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822916783 599311596 /nfs/dbraw/zinc/31/15/96/599311596.db2.gz DBKBSOKXYFJICM-ZJSXRUAMSA-N -1 3 399.498 3.652 20 0 GHADHM CCN(C(=O)Cc1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505063 599312267 /nfs/dbraw/zinc/31/22/67/599312267.db2.gz GJYZZCFWNBHVFK-UHFFFAOYSA-N -1 3 396.501 3.647 20 0 GHADHM CCN(C(=O)Cc1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505063 599312269 /nfs/dbraw/zinc/31/22/69/599312269.db2.gz GJYZZCFWNBHVFK-UHFFFAOYSA-N -1 3 396.501 3.647 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140131 599323570 /nfs/dbraw/zinc/32/35/70/599323570.db2.gz YIBFMVWAGYMITJ-YJBOKZPZSA-N -1 3 379.464 3.988 20 0 GHADHM C[C@H](Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140131 599323572 /nfs/dbraw/zinc/32/35/72/599323572.db2.gz YIBFMVWAGYMITJ-YJBOKZPZSA-N -1 3 379.464 3.988 20 0 GHADHM CC(=O)c1cccc(NC(=O)CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735499217 599325403 /nfs/dbraw/zinc/32/54/03/599325403.db2.gz MKYUYZKERNWRGV-ZDUSSCGKSA-N -1 3 381.461 3.502 20 0 GHADHM CC(=O)c1cccc(NC(=O)CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735499217 599325408 /nfs/dbraw/zinc/32/54/08/599325408.db2.gz MKYUYZKERNWRGV-ZDUSSCGKSA-N -1 3 381.461 3.502 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000736188006 599327605 /nfs/dbraw/zinc/32/76/05/599327605.db2.gz GKLCIXKCTJIQOL-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000736188006 599327607 /nfs/dbraw/zinc/32/76/07/599327607.db2.gz GKLCIXKCTJIQOL-GHMZBOCLSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](S[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187513 599327689 /nfs/dbraw/zinc/32/76/89/599327689.db2.gz BHMDLRPOPRQXPG-YVEFUNNKSA-N -1 3 383.452 3.606 20 0 GHADHM C[C@H](S[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187513 599327692 /nfs/dbraw/zinc/32/76/92/599327692.db2.gz BHMDLRPOPRQXPG-YVEFUNNKSA-N -1 3 383.452 3.606 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc(Br)ccc1Cl ZINC000737061668 599328570 /nfs/dbraw/zinc/32/85/70/599328570.db2.gz CIZXRDDGCIVYHB-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(Br)ccc1Cl ZINC000737061668 599328571 /nfs/dbraw/zinc/32/85/71/599328571.db2.gz CIZXRDDGCIVYHB-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(OCC(F)(F)F)c1 ZINC000737362444 599329250 /nfs/dbraw/zinc/32/92/50/599329250.db2.gz OZCKUQMDNPFDOM-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(OCC(F)(F)F)c1 ZINC000737362444 599329252 /nfs/dbraw/zinc/32/92/52/599329252.db2.gz OZCKUQMDNPFDOM-UHFFFAOYSA-N -1 3 393.369 3.607 20 0 GHADHM c1cc(OCCNc2ccc3nc(C4CC4)sc3c2)cc(-c2nnn[n-]2)c1 ZINC000738419473 599329394 /nfs/dbraw/zinc/32/93/94/599329394.db2.gz MYPBFDXPVQJDDQ-UHFFFAOYSA-N -1 3 378.461 3.845 20 0 GHADHM c1cc(OCCNc2ccc3nc(C4CC4)sc3c2)cc(-c2nn[n-]n2)c1 ZINC000738419473 599329396 /nfs/dbraw/zinc/32/93/96/599329396.db2.gz MYPBFDXPVQJDDQ-UHFFFAOYSA-N -1 3 378.461 3.845 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191047 599330549 /nfs/dbraw/zinc/33/05/49/599330549.db2.gz VKUOHOAPTQGAEJ-PYOGLGTISA-N -1 3 387.553 3.990 20 0 GHADHM C[C@@H](S[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191047 599330552 /nfs/dbraw/zinc/33/05/52/599330552.db2.gz VKUOHOAPTQGAEJ-PYOGLGTISA-N -1 3 387.553 3.990 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191852 599330847 /nfs/dbraw/zinc/33/08/47/599330847.db2.gz XFONOUTYNATRTJ-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000736191852 599330850 /nfs/dbraw/zinc/33/08/50/599330850.db2.gz XFONOUTYNATRTJ-QWRGUYRKSA-N -1 3 389.431 3.966 20 0 GHADHM C[C@@H](SCC(=O)Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187995 599333199 /nfs/dbraw/zinc/33/31/99/599333199.db2.gz GFRJOZDYZFHDIT-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM C[C@@H](SCC(=O)Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187995 599333202 /nfs/dbraw/zinc/33/32/02/599333202.db2.gz GFRJOZDYZFHDIT-SNVBAGLBSA-N -1 3 375.404 3.578 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2sccc2C1 ZINC000820032953 599344230 /nfs/dbraw/zinc/34/42/30/599344230.db2.gz QNJGGQMMLPLUSI-KRWDZBQOSA-N -1 3 399.545 3.630 20 0 GHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2sccc2C1 ZINC000820032953 599344232 /nfs/dbraw/zinc/34/42/32/599344232.db2.gz QNJGGQMMLPLUSI-KRWDZBQOSA-N -1 3 399.545 3.630 20 0 GHADHM Cc1cccc(N(C)C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737397608 599344361 /nfs/dbraw/zinc/34/43/61/599344361.db2.gz ZUHXNKZNLRCBNP-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM Cc1cccc(N(C)C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737397608 599344364 /nfs/dbraw/zinc/34/43/64/599344364.db2.gz ZUHXNKZNLRCBNP-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2sccc2C1 ZINC000820032956 599344794 /nfs/dbraw/zinc/34/47/94/599344794.db2.gz QNJGGQMMLPLUSI-QGZVFWFLSA-N -1 3 399.545 3.630 20 0 GHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2sccc2C1 ZINC000820032956 599344797 /nfs/dbraw/zinc/34/47/97/599344797.db2.gz QNJGGQMMLPLUSI-QGZVFWFLSA-N -1 3 399.545 3.630 20 0 GHADHM COC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000736981157 599350517 /nfs/dbraw/zinc/35/05/17/599350517.db2.gz YFBZZAWJHXOFOI-AWEZNQCLSA-N -1 3 381.333 3.824 20 0 GHADHM COC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736981157 599350519 /nfs/dbraw/zinc/35/05/19/599350519.db2.gz YFBZZAWJHXOFOI-AWEZNQCLSA-N -1 3 381.333 3.824 20 0 GHADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456929 599365216 /nfs/dbraw/zinc/36/52/16/599365216.db2.gz XHWSNXYQBIHKRW-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456929 599365217 /nfs/dbraw/zinc/36/52/17/599365217.db2.gz XHWSNXYQBIHKRW-GFCCVEGCSA-N -1 3 382.855 3.820 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)n1cccc1 ZINC000735973836 599371806 /nfs/dbraw/zinc/37/18/06/599371806.db2.gz HTPRZPDYTKFPKW-QGZVFWFLSA-N -1 3 386.459 3.853 20 0 GHADHM C[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)n1cccc1 ZINC000735973836 599371809 /nfs/dbraw/zinc/37/18/09/599371809.db2.gz HTPRZPDYTKFPKW-QGZVFWFLSA-N -1 3 386.459 3.853 20 0 GHADHM CCN(C(=O)COc1cccc(Cl)c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504159 599371866 /nfs/dbraw/zinc/37/18/66/599371866.db2.gz AQJLNRFILFCNTB-CQSZACIVSA-N -1 3 399.882 3.817 20 0 GHADHM CCN(C(=O)COc1cccc(Cl)c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504159 599371868 /nfs/dbraw/zinc/37/18/68/599371868.db2.gz AQJLNRFILFCNTB-CQSZACIVSA-N -1 3 399.882 3.817 20 0 GHADHM CCC[C@@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OCC ZINC000821021358 599376157 /nfs/dbraw/zinc/37/61/57/599376157.db2.gz NKTCOVFQOLHUBP-GOSISDBHSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OCC ZINC000821021358 599376160 /nfs/dbraw/zinc/37/61/60/599376160.db2.gz NKTCOVFQOLHUBP-GOSISDBHSA-N -1 3 381.436 3.803 20 0 GHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735986978 599380157 /nfs/dbraw/zinc/38/01/57/599380157.db2.gz VHDUXOJFAQXDNO-AWEZNQCLSA-N -1 3 397.479 3.983 20 0 GHADHM O=C(Nc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cccs1 ZINC000823367668 599388071 /nfs/dbraw/zinc/38/80/71/599388071.db2.gz MXUGRKHBIUTRIZ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM O=C(Nc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cccs1 ZINC000823367668 599388074 /nfs/dbraw/zinc/38/80/74/599388074.db2.gz MXUGRKHBIUTRIZ-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM C[C@@H](NCc1csc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820437814 599393183 /nfs/dbraw/zinc/39/31/83/599393183.db2.gz DEEMXXYEEICMIY-GFCCVEGCSA-N -1 3 380.452 3.980 20 0 GHADHM COc1cc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)ccc1OC(F)F ZINC000737047189 599397418 /nfs/dbraw/zinc/39/74/18/599397418.db2.gz JHXRAILRYVKISE-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1cc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)ccc1OC(F)F ZINC000737047189 599397420 /nfs/dbraw/zinc/39/74/20/599397420.db2.gz JHXRAILRYVKISE-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM O=C(Nc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1)c1ccco1 ZINC000738160023 599403091 /nfs/dbraw/zinc/40/30/91/599403091.db2.gz QIDALEGTKGRXBU-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(Nc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000738160023 599403093 /nfs/dbraw/zinc/40/30/93/599403093.db2.gz QIDALEGTKGRXBU-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1OC ZINC000737041512 599410026 /nfs/dbraw/zinc/41/00/26/599410026.db2.gz VUMSBZIFOLQFPZ-ZDUSSCGKSA-N -1 3 390.447 3.914 20 0 GHADHM COc1cc(C)c([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1OC ZINC000737041512 599410027 /nfs/dbraw/zinc/41/00/27/599410027.db2.gz VUMSBZIFOLQFPZ-ZDUSSCGKSA-N -1 3 390.447 3.914 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299483 599415183 /nfs/dbraw/zinc/41/51/83/599415183.db2.gz KLNAMGCXKPHJFP-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299483 599415185 /nfs/dbraw/zinc/41/51/85/599415185.db2.gz KLNAMGCXKPHJFP-IBGZPJMESA-N -1 3 376.464 3.530 20 0 GHADHM COc1ccc([C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccc(C)cc2)cc1 ZINC000821777713 599416512 /nfs/dbraw/zinc/41/65/12/599416512.db2.gz LOWGQVQHOOUAHR-HXUWFJFHSA-N -1 3 375.432 3.656 20 0 GHADHM COc1ccc([C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccc(C)cc2)cc1 ZINC000821777713 599416514 /nfs/dbraw/zinc/41/65/14/599416514.db2.gz LOWGQVQHOOUAHR-HXUWFJFHSA-N -1 3 375.432 3.656 20 0 GHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000736137349 599418941 /nfs/dbraw/zinc/41/89/41/599418941.db2.gz JWCBGVCISJWBLH-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(N2CCCC2=O)cc1 ZINC000736137349 599418943 /nfs/dbraw/zinc/41/89/43/599418943.db2.gz JWCBGVCISJWBLH-AWEZNQCLSA-N -1 3 399.458 3.715 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820359093 599419705 /nfs/dbraw/zinc/41/97/05/599419705.db2.gz RODNEAQRQOKWPP-BDJLRTHQSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820359093 599419709 /nfs/dbraw/zinc/41/97/09/599419709.db2.gz RODNEAQRQOKWPP-BDJLRTHQSA-N -1 3 398.467 3.603 20 0 GHADHM C[C@H](NC(=O)NCc1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366950 599424575 /nfs/dbraw/zinc/42/45/75/599424575.db2.gz QLUATSHLIDVLPL-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)NCc1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366950 599424576 /nfs/dbraw/zinc/42/45/76/599424576.db2.gz QLUATSHLIDVLPL-LBPRGKRZSA-N -1 3 378.461 3.642 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820358816 599436160 /nfs/dbraw/zinc/43/61/60/599436160.db2.gz OXWGXPBWXANCFN-DJJJIMSYSA-N -1 3 394.454 3.907 20 0 GHADHM C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820358816 599436164 /nfs/dbraw/zinc/43/61/64/599436164.db2.gz OXWGXPBWXANCFN-DJJJIMSYSA-N -1 3 394.454 3.907 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820913850 599442949 /nfs/dbraw/zinc/44/29/49/599442949.db2.gz KWNGIFLUEJDBLB-ACJLOTCBSA-N -1 3 398.898 3.902 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820913850 599442950 /nfs/dbraw/zinc/44/29/50/599442950.db2.gz KWNGIFLUEJDBLB-ACJLOTCBSA-N -1 3 398.898 3.902 20 0 GHADHM c1cc(-c2cccc(CNCc3cn4ccccc4n3)c2)sc1-c1nnn[n-]1 ZINC000823751293 599445803 /nfs/dbraw/zinc/44/58/03/599445803.db2.gz DUMYEBWQMDXSMY-UHFFFAOYSA-N -1 3 387.472 3.533 20 0 GHADHM Clc1ccc2sc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000737574413 599460984 /nfs/dbraw/zinc/46/09/84/599460984.db2.gz KALRPXQAHPHNEV-UTCJRWHESA-N -1 3 379.836 3.948 20 0 GHADHM Clc1ccc2sc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc2c1 ZINC000737574413 599460987 /nfs/dbraw/zinc/46/09/87/599460987.db2.gz KALRPXQAHPHNEV-UTCJRWHESA-N -1 3 379.836 3.948 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820342063 599472914 /nfs/dbraw/zinc/47/29/14/599472914.db2.gz SSIQKIOQISDXCB-DEYYWGMASA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820342063 599472915 /nfs/dbraw/zinc/47/29/15/599472915.db2.gz SSIQKIOQISDXCB-DEYYWGMASA-N -1 3 394.454 3.654 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822350261 599475073 /nfs/dbraw/zinc/47/50/73/599475073.db2.gz BRSJRNCWAFSRGV-HNAYVOBHSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1ccccc1[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822350261 599475074 /nfs/dbraw/zinc/47/50/74/599475074.db2.gz BRSJRNCWAFSRGV-HNAYVOBHSA-N -1 3 376.464 3.783 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820668554 599476618 /nfs/dbraw/zinc/47/66/18/599476618.db2.gz URRQTBWCJGUVDW-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820668554 599476620 /nfs/dbraw/zinc/47/66/20/599476620.db2.gz URRQTBWCJGUVDW-PJIJBLCYSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353357 599478770 /nfs/dbraw/zinc/47/87/70/599478770.db2.gz ZITUIQPBRADDLA-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@H](NC(=O)N[C@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353357 599478773 /nfs/dbraw/zinc/47/87/73/599478773.db2.gz ZITUIQPBRADDLA-IFXJQAMLSA-N -1 3 376.464 3.768 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350448 599482216 /nfs/dbraw/zinc/48/22/16/599482216.db2.gz DAJYUKGUXRZBHD-FRQCXROJSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350448 599482217 /nfs/dbraw/zinc/48/22/17/599482217.db2.gz DAJYUKGUXRZBHD-FRQCXROJSA-N -1 3 390.491 3.824 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000736613770 599482684 /nfs/dbraw/zinc/48/26/84/599482684.db2.gz FVEITKJYCTWBBF-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000736613770 599482686 /nfs/dbraw/zinc/48/26/86/599482686.db2.gz FVEITKJYCTWBBF-SNVBAGLBSA-N -1 3 379.486 3.993 20 0 GHADHM COc1ccc(Br)c(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000821770447 599482838 /nfs/dbraw/zinc/48/28/38/599482838.db2.gz UFBBJZSATSTDEL-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(Br)c(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000821770447 599482839 /nfs/dbraw/zinc/48/28/39/599482839.db2.gz UFBBJZSATSTDEL-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112835 599492124 /nfs/dbraw/zinc/49/21/24/599492124.db2.gz VFMNCGZYCHQHFB-QWQRMKEZSA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112835 599492126 /nfs/dbraw/zinc/49/21/26/599492126.db2.gz VFMNCGZYCHQHFB-QWQRMKEZSA-N -1 3 394.454 3.654 20 0 GHADHM Cc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC000822207344 599495722 /nfs/dbraw/zinc/49/57/22/599495722.db2.gz SOOOEDKUWWRLHQ-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822207344 599495724 /nfs/dbraw/zinc/49/57/24/599495724.db2.gz SOOOEDKUWWRLHQ-UHFFFAOYSA-N -1 3 375.354 3.765 20 0 GHADHM Cc1cccc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737397049 599497331 /nfs/dbraw/zinc/49/73/31/599497331.db2.gz SDQZXYKEJPVKOK-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cccc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737397049 599497334 /nfs/dbraw/zinc/49/73/34/599497334.db2.gz SDQZXYKEJPVKOK-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM COc1cccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000821864386 599502512 /nfs/dbraw/zinc/50/25/12/599502512.db2.gz YLVQFJQDMIFQPP-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM COc1cccc(C2(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000821864386 599502515 /nfs/dbraw/zinc/50/25/15/599502515.db2.gz YLVQFJQDMIFQPP-HNNXBMFYSA-N -1 3 391.475 3.565 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820683576 599512645 /nfs/dbraw/zinc/51/26/45/599512645.db2.gz DBWLZFCMKYBWAQ-WTLGNFPFSA-N -1 3 385.512 3.521 20 0 GHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820683576 599512646 /nfs/dbraw/zinc/51/26/46/599512646.db2.gz DBWLZFCMKYBWAQ-WTLGNFPFSA-N -1 3 385.512 3.521 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1F ZINC000737090789 599518393 /nfs/dbraw/zinc/51/83/93/599518393.db2.gz MLAQWFQFZPXMRT-UHFFFAOYSA-N -1 3 381.333 3.670 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821853785 599524792 /nfs/dbraw/zinc/52/47/92/599524792.db2.gz AAYVIPMGSCDVKA-QARUFBMTSA-N -1 3 399.454 3.919 20 0 GHADHM COc1ccc2cc(C=CC(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821853785 599524794 /nfs/dbraw/zinc/52/47/94/599524794.db2.gz AAYVIPMGSCDVKA-QARUFBMTSA-N -1 3 399.454 3.919 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192472 599525289 /nfs/dbraw/zinc/52/52/89/599525289.db2.gz PFZSWXBVHCHQFH-VOBQZIQPSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192472 599525291 /nfs/dbraw/zinc/52/52/91/599525291.db2.gz PFZSWXBVHCHQFH-VOBQZIQPSA-N -1 3 375.476 3.971 20 0 GHADHM Fc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000737667787 599525927 /nfs/dbraw/zinc/52/59/27/599525927.db2.gz BXFFRYWGHMOHSI-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822229487 599526680 /nfs/dbraw/zinc/52/66/80/599526680.db2.gz VTCLTLKSLQVFSC-HOTGVXAUSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822229487 599526682 /nfs/dbraw/zinc/52/66/82/599526682.db2.gz VTCLTLKSLQVFSC-HOTGVXAUSA-N -1 3 393.491 3.943 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396078 599534379 /nfs/dbraw/zinc/53/43/79/599534379.db2.gz CGTGDSZRKXDITJ-CQSZACIVSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396078 599534382 /nfs/dbraw/zinc/53/43/82/599534382.db2.gz CGTGDSZRKXDITJ-CQSZACIVSA-N -1 3 377.448 3.679 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820335177 599535804 /nfs/dbraw/zinc/53/58/04/599535804.db2.gz VFKDZFDMSKAZCI-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820335177 599535806 /nfs/dbraw/zinc/53/58/06/599535806.db2.gz VFKDZFDMSKAZCI-SNVBAGLBSA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736056799 599539337 /nfs/dbraw/zinc/53/93/37/599539337.db2.gz QGSUFMKOEOEZCX-SECBINFHSA-N -1 3 381.383 3.764 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736056799 599539339 /nfs/dbraw/zinc/53/93/39/599539339.db2.gz QGSUFMKOEOEZCX-SECBINFHSA-N -1 3 381.383 3.764 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736057595 599539510 /nfs/dbraw/zinc/53/95/10/599539510.db2.gz HWJLLUPSEMWPSC-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736057595 599539511 /nfs/dbraw/zinc/53/95/11/599539511.db2.gz HWJLLUPSEMWPSC-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1cccs1 ZINC000736625622 599539519 /nfs/dbraw/zinc/53/95/19/599539519.db2.gz DBAVZTDGWFZNKK-VIFPVBQESA-N -1 3 378.841 3.689 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1cccs1 ZINC000736625622 599539520 /nfs/dbraw/zinc/53/95/20/599539520.db2.gz DBAVZTDGWFZNKK-VIFPVBQESA-N -1 3 378.841 3.689 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCCc2ccccc2C1 ZINC000822774144 599545882 /nfs/dbraw/zinc/54/58/82/599545882.db2.gz FVKBQSIBFJQJIV-UHFFFAOYSA-N -1 3 378.386 3.646 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCCc2ccccc2C1 ZINC000822774144 599545884 /nfs/dbraw/zinc/54/58/84/599545884.db2.gz FVKBQSIBFJQJIV-UHFFFAOYSA-N -1 3 378.386 3.646 20 0 GHADHM N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000155284209 599561169 /nfs/dbraw/zinc/56/11/69/599561169.db2.gz RSSZJHMMLBWAIR-UHFFFAOYSA-N -1 3 381.399 3.734 20 0 GHADHM N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000155284209 599561172 /nfs/dbraw/zinc/56/11/72/599561172.db2.gz RSSZJHMMLBWAIR-UHFFFAOYSA-N -1 3 381.399 3.734 20 0 GHADHM O=C(NC[C@@H]1Cc2ccccc21)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738051641 599565299 /nfs/dbraw/zinc/56/52/99/599565299.db2.gz PEYZIRDZYBRCKC-SFHVURJKSA-N -1 3 396.454 3.680 20 0 GHADHM CCc1csc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736698004 599569808 /nfs/dbraw/zinc/56/98/08/599569808.db2.gz FVSCEZMENGFXFA-UHFFFAOYSA-N -1 3 391.460 3.882 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](Cc2ccccc2)C1 ZINC000822775187 599580475 /nfs/dbraw/zinc/58/04/75/599580475.db2.gz SWSQNWZWPKBMHV-CQSZACIVSA-N -1 3 392.413 3.762 20 0 GHADHM Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](Cc2ccccc2)C1 ZINC000822775187 599580476 /nfs/dbraw/zinc/58/04/76/599580476.db2.gz SWSQNWZWPKBMHV-CQSZACIVSA-N -1 3 392.413 3.762 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737334382 599609211 /nfs/dbraw/zinc/60/92/11/599609211.db2.gz GWDFNIIHVVGKMN-ZDUSSCGKSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737334382 599609213 /nfs/dbraw/zinc/60/92/13/599609213.db2.gz GWDFNIIHVVGKMN-ZDUSSCGKSA-N -1 3 384.871 3.923 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820937660 599628419 /nfs/dbraw/zinc/62/84/19/599628419.db2.gz BLGDALASZUIQCH-SWHYSGLUSA-N -1 3 377.514 3.857 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820937660 599628420 /nfs/dbraw/zinc/62/84/20/599628420.db2.gz BLGDALASZUIQCH-SWHYSGLUSA-N -1 3 377.514 3.857 20 0 GHADHM C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000819856943 599630171 /nfs/dbraw/zinc/63/01/71/599630171.db2.gz NBKWRRZBKYVZLO-GFCCVEGCSA-N -1 3 375.354 3.598 20 0 GHADHM C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000819856943 599630172 /nfs/dbraw/zinc/63/01/72/599630172.db2.gz NBKWRRZBKYVZLO-GFCCVEGCSA-N -1 3 375.354 3.598 20 0 GHADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822519410 599632266 /nfs/dbraw/zinc/63/22/66/599632266.db2.gz GDSKWTNZJZSOOS-UHFFFAOYSA-N -1 3 380.330 3.558 20 0 GHADHM Cc1noc(C(C)C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822519410 599632267 /nfs/dbraw/zinc/63/22/67/599632267.db2.gz GDSKWTNZJZSOOS-UHFFFAOYSA-N -1 3 380.330 3.558 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820967604 599656161 /nfs/dbraw/zinc/65/61/61/599656161.db2.gz QTTHDGPWSYUNID-RHSMWYFYSA-N -1 3 377.448 3.920 20 0 GHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820967604 599656162 /nfs/dbraw/zinc/65/61/62/599656162.db2.gz QTTHDGPWSYUNID-RHSMWYFYSA-N -1 3 377.448 3.920 20 0 GHADHM O=C(OCc1ccon1)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823440121 599662718 /nfs/dbraw/zinc/66/27/18/599662718.db2.gz CWKKYYLMBNUDDK-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822232826 599669081 /nfs/dbraw/zinc/66/90/81/599669081.db2.gz BRJSHXBAXVTWSA-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822232826 599669082 /nfs/dbraw/zinc/66/90/82/599669082.db2.gz BRJSHXBAXVTWSA-MJGOQNOKSA-N -1 3 396.422 3.525 20 0 GHADHM CC(C)[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000820016651 599669527 /nfs/dbraw/zinc/66/95/27/599669527.db2.gz NOVQQCAVRFRYQJ-SFHVURJKSA-N -1 3 375.432 3.602 20 0 GHADHM CC(C)[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000820016651 599669528 /nfs/dbraw/zinc/66/95/28/599669528.db2.gz NOVQQCAVRFRYQJ-SFHVURJKSA-N -1 3 375.432 3.602 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820716728 599670628 /nfs/dbraw/zinc/67/06/28/599670628.db2.gz KPUHSPXPFWDKIF-KEYYUXOJSA-N -1 3 380.452 3.704 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820716728 599670629 /nfs/dbraw/zinc/67/06/29/599670629.db2.gz KPUHSPXPFWDKIF-KEYYUXOJSA-N -1 3 380.452 3.704 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)c1ccccc1 ZINC000820920554 599675687 /nfs/dbraw/zinc/67/56/87/599675687.db2.gz QXJKOVVCINVNTF-LJQANCHMSA-N -1 3 392.507 3.765 20 0 GHADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000820920554 599675688 /nfs/dbraw/zinc/67/56/88/599675688.db2.gz QXJKOVVCINVNTF-LJQANCHMSA-N -1 3 392.507 3.765 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820920274 599675798 /nfs/dbraw/zinc/67/57/98/599675798.db2.gz OQPQJKHKGAQUKI-IBGZPJMESA-N -1 3 392.507 3.765 20 0 GHADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820920274 599675799 /nfs/dbraw/zinc/67/57/99/599675799.db2.gz OQPQJKHKGAQUKI-IBGZPJMESA-N -1 3 392.507 3.765 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000822232889 599679559 /nfs/dbraw/zinc/67/95/59/599679559.db2.gz DAGIIQRWBKQFIP-SJCJKPOMSA-N -1 3 398.442 3.590 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000822232889 599679560 /nfs/dbraw/zinc/67/95/60/599679560.db2.gz DAGIIQRWBKQFIP-SJCJKPOMSA-N -1 3 398.442 3.590 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820097152 599691389 /nfs/dbraw/zinc/69/13/89/599691389.db2.gz KNVBGEZBEFMRDO-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820097152 599691390 /nfs/dbraw/zinc/69/13/90/599691390.db2.gz KNVBGEZBEFMRDO-LLVKDONJSA-N -1 3 392.460 3.556 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)on1 ZINC000070810422 599693985 /nfs/dbraw/zinc/69/39/85/599693985.db2.gz MTJPECNYCRZSGP-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM Cc1cc(CSc2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)on1 ZINC000070810422 599693986 /nfs/dbraw/zinc/69/39/86/599693986.db2.gz MTJPECNYCRZSGP-UHFFFAOYSA-N -1 3 392.444 3.708 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1 ZINC000819865392 599697668 /nfs/dbraw/zinc/69/76/68/599697668.db2.gz DSYKBAPXWCKKAP-CQSZACIVSA-N -1 3 386.415 3.796 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822941361 599700122 /nfs/dbraw/zinc/70/01/22/599700122.db2.gz WFXDETQXTMAFHA-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM O=C(CC1(O)CCCCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822941361 599700123 /nfs/dbraw/zinc/70/01/23/599700123.db2.gz WFXDETQXTMAFHA-UHFFFAOYSA-N -1 3 393.447 3.683 20 0 GHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000738625117 599772424 /nfs/dbraw/zinc/77/24/24/599772424.db2.gz QMPRWIAFMHUXTA-INIZCTEOSA-N -1 3 385.464 3.628 20 0 GHADHM C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736662946 599792507 /nfs/dbraw/zinc/79/25/07/599792507.db2.gz VMWDPSCGMIHCPE-XOBRGWDASA-N -1 3 384.451 3.660 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000820160462 607396580 /nfs/dbraw/zinc/39/65/80/607396580.db2.gz KUPWWHSHGUQNTP-SFHVURJKSA-N -1 3 395.488 3.623 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000820160462 607396582 /nfs/dbraw/zinc/39/65/82/607396582.db2.gz KUPWWHSHGUQNTP-SFHVURJKSA-N -1 3 395.488 3.623 20 0 GHADHM O=C([O-])CCc1ccc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739761436 599825489 /nfs/dbraw/zinc/82/54/89/599825489.db2.gz VOIXMYLATWEHLX-NRFANRHFSA-N -1 3 395.503 3.880 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000820174826 607399022 /nfs/dbraw/zinc/39/90/22/607399022.db2.gz YVOIXILSKHNFEW-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000820174826 607399025 /nfs/dbraw/zinc/39/90/25/607399025.db2.gz YVOIXILSKHNFEW-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000820160970 607400032 /nfs/dbraw/zinc/40/00/32/607400032.db2.gz RCSFCBBSZVYRHM-HOTGVXAUSA-N -1 3 381.411 3.535 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000820160970 607400034 /nfs/dbraw/zinc/40/00/34/607400034.db2.gz RCSFCBBSZVYRHM-HOTGVXAUSA-N -1 3 381.411 3.535 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000820159987 607403385 /nfs/dbraw/zinc/40/33/85/607403385.db2.gz CFFGKLMSLSZLEI-UHFFFAOYSA-N -1 3 390.447 3.707 20 0 GHADHM CC(C)Oc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000820159987 607403386 /nfs/dbraw/zinc/40/33/86/607403386.db2.gz CFFGKLMSLSZLEI-UHFFFAOYSA-N -1 3 390.447 3.707 20 0 GHADHM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000738200733 599880747 /nfs/dbraw/zinc/88/07/47/599880747.db2.gz IOEMERFNDDVXEQ-SFHVURJKSA-N -1 3 387.505 3.808 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])o1 ZINC000737089145 599968932 /nfs/dbraw/zinc/96/89/32/599968932.db2.gz ZXSNSNFYKDPUQA-UHFFFAOYSA-N -1 3 396.237 3.801 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000738554598 600067092 /nfs/dbraw/zinc/06/70/92/600067092.db2.gz QEXVDLSDMCRYKH-OAQYLSRUSA-N -1 3 380.488 3.579 20 0 GHADHM COc1ccc(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1F ZINC000738008161 600079889 /nfs/dbraw/zinc/07/98/89/600079889.db2.gz HGKKDCNVJCMVSX-KRWDZBQOSA-N -1 3 382.229 3.686 20 0 GHADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000652410043 600104602 /nfs/dbraw/zinc/10/46/02/600104602.db2.gz WEEYOLJCLWMNBO-GOSISDBHSA-N -1 3 381.407 3.881 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000823943960 607426296 /nfs/dbraw/zinc/42/62/96/607426296.db2.gz VYSAILBAGNSOGS-RAXLEYEMSA-N -1 3 379.851 3.729 20 0 GHADHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1 ZINC000823943960 607426297 /nfs/dbraw/zinc/42/62/97/607426297.db2.gz VYSAILBAGNSOGS-RAXLEYEMSA-N -1 3 379.851 3.729 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000736200056 600247678 /nfs/dbraw/zinc/24/76/78/600247678.db2.gz MSDZIGHIMWBFHN-SFHVURJKSA-N -1 3 394.515 3.686 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738518852 600262579 /nfs/dbraw/zinc/26/25/79/600262579.db2.gz PDEJNNDHKCZKEN-DOTOQJQBSA-N -1 3 384.451 3.724 20 0 GHADHM CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833854 607439150 /nfs/dbraw/zinc/43/91/50/607439150.db2.gz MLPAJMNDEUMBOV-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833854 607439151 /nfs/dbraw/zinc/43/91/51/607439151.db2.gz MLPAJMNDEUMBOV-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826323135 607440714 /nfs/dbraw/zinc/44/07/14/607440714.db2.gz RKWSCVZOIUTZCC-UHFFFAOYSA-N -1 3 396.501 3.566 20 0 GHADHM Cc1nc(-c2cccs2)c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826323135 607440716 /nfs/dbraw/zinc/44/07/16/607440716.db2.gz RKWSCVZOIUTZCC-UHFFFAOYSA-N -1 3 396.501 3.566 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736283403 600401329 /nfs/dbraw/zinc/40/13/29/600401329.db2.gz KMITVUPGIOOBLV-CJNGLKHVSA-N -1 3 382.888 3.702 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812812 607442166 /nfs/dbraw/zinc/44/21/66/607442166.db2.gz UYKHUEDLPPVDEQ-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812812 607442168 /nfs/dbraw/zinc/44/21/68/607442168.db2.gz UYKHUEDLPPVDEQ-HUUCEWRRSA-N -1 3 388.258 3.940 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000739498582 600419803 /nfs/dbraw/zinc/41/98/03/600419803.db2.gz AZHNPFYOCCZDPU-LJQANCHMSA-N -1 3 386.879 3.882 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000820170288 607447500 /nfs/dbraw/zinc/44/75/00/607447500.db2.gz XEKUSEDMZFUOFS-UHFFFAOYSA-N -1 3 388.431 3.901 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000820170288 607447502 /nfs/dbraw/zinc/44/75/02/607447502.db2.gz XEKUSEDMZFUOFS-UHFFFAOYSA-N -1 3 388.431 3.901 20 0 GHADHM C[C@H](CN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736576872 600545958 /nfs/dbraw/zinc/54/59/58/600545958.db2.gz OECZUTPVPWTITJ-ZHRRBRCNSA-N -1 3 398.478 3.559 20 0 GHADHM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000740057508 600575508 /nfs/dbraw/zinc/57/55/08/600575508.db2.gz WSZCRMZBBGNHQS-UHFFFAOYSA-N -1 3 385.489 3.620 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826427361 607456496 /nfs/dbraw/zinc/45/64/96/607456496.db2.gz NIOKMWSDQCDPNW-LJQANCHMSA-N -1 3 388.475 3.696 20 0 GHADHM O=C(N[C@H](c1ccccc1)C1CCC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826427361 607456498 /nfs/dbraw/zinc/45/64/98/607456498.db2.gz NIOKMWSDQCDPNW-LJQANCHMSA-N -1 3 388.475 3.696 20 0 GHADHM O=C([O-])[C@@H](N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1F ZINC000833168145 600749711 /nfs/dbraw/zinc/74/97/11/600749711.db2.gz UXBKACSTKOVKNX-PXAZEXFGSA-N -1 3 393.256 3.582 20 0 GHADHM O=C([O-])[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1F ZINC000833168197 600751178 /nfs/dbraw/zinc/75/11/78/600751178.db2.gz UIQHCSRWQPJMCX-SUMWQHHRSA-N -1 3 382.357 3.839 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000832918075 600762661 /nfs/dbraw/zinc/76/26/61/600762661.db2.gz SMTAQQQYDVJRSW-CVEARBPZSA-N -1 3 392.459 3.557 20 0 GHADHM Cc1cc(C)n(C[C@H]2CCCCN2CCOc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000832880127 600827505 /nfs/dbraw/zinc/82/75/05/600827505.db2.gz COVRCXBJLCAEEU-QGZVFWFLSA-N -1 3 391.899 3.785 20 0 GHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832928095 600839413 /nfs/dbraw/zinc/83/94/13/600839413.db2.gz AYFUQVLKZWHVRC-AZUAARDMSA-N -1 3 380.488 3.924 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000822741540 607480975 /nfs/dbraw/zinc/48/09/75/607480975.db2.gz YLXIGIPECYXKDO-NRFANRHFSA-N -1 3 389.434 3.916 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN[C@H](COc1ccccc1)c1ccccc1 ZINC000822741541 607481350 /nfs/dbraw/zinc/48/13/50/607481350.db2.gz YLXIGIPECYXKDO-OAQYLSRUSA-N -1 3 389.434 3.916 20 0 GHADHM CCCCN1Cc2cccc(N[C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)c2C1 ZINC000829394990 601053202 /nfs/dbraw/zinc/05/32/02/601053202.db2.gz CYZCDLWDIFCDHA-GOSISDBHSA-N -1 3 399.516 3.779 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820294569 607497985 /nfs/dbraw/zinc/49/79/85/607497985.db2.gz UXKZIPBISRBCGW-CABCVRRESA-N -1 3 381.505 3.613 20 0 GHADHM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820294569 607497987 /nfs/dbraw/zinc/49/79/87/607497987.db2.gz UXKZIPBISRBCGW-CABCVRRESA-N -1 3 381.505 3.613 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000820497054 607501336 /nfs/dbraw/zinc/50/13/36/607501336.db2.gz PDMFWFLHXGPRCZ-VIFPVBQESA-N -1 3 394.378 3.681 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000820497054 607501337 /nfs/dbraw/zinc/50/13/37/607501337.db2.gz PDMFWFLHXGPRCZ-VIFPVBQESA-N -1 3 394.378 3.681 20 0 GHADHM COc1ccc(C)cc1NC(=O)[C@@H](NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000832258261 601369003 /nfs/dbraw/zinc/36/90/03/601369003.db2.gz HLEJLZUKSNMOEP-FQEVSTJZSA-N -1 3 396.487 3.918 20 0 GHADHM Cc1nccn1C[C@H]1CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833010788 601384409 /nfs/dbraw/zinc/38/44/09/601384409.db2.gz LZUWTJZUQRPEST-GOSISDBHSA-N -1 3 382.489 3.678 20 0 GHADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830717990 601398956 /nfs/dbraw/zinc/39/89/56/601398956.db2.gz JCBYJRNJDWTMRI-UTKZUKDTSA-N -1 3 379.460 3.792 20 0 GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000833033134 601626803 /nfs/dbraw/zinc/62/68/03/601626803.db2.gz WFUYBEKKONYJKT-UHFFFAOYSA-N -1 3 376.453 3.745 20 0 GHADHM COc1ccc(CN(C)[C@@H](C)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826192683 607517791 /nfs/dbraw/zinc/51/77/91/607517791.db2.gz WTRUIFIAWZEJSR-LBPRGKRZSA-N -1 3 380.477 3.678 20 0 GHADHM COc1ccc(CN(C)[C@@H](C)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826192683 607517793 /nfs/dbraw/zinc/51/77/93/607517793.db2.gz WTRUIFIAWZEJSR-LBPRGKRZSA-N -1 3 380.477 3.678 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000826043986 601652348 /nfs/dbraw/zinc/65/23/48/601652348.db2.gz AJHLYSNPDWYAOF-BUKVSMQUSA-N -1 3 380.488 3.574 20 0 GHADHM O=C([O-])c1cc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)c[nH]1 ZINC000833297322 601832137 /nfs/dbraw/zinc/83/21/37/601832137.db2.gz FWWLDAKLXHSHSE-UHFFFAOYSA-N -1 3 386.455 3.915 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000662218496 601845575 /nfs/dbraw/zinc/84/55/75/601845575.db2.gz PFJWJZYYFJGBKS-SJORKVTESA-N -1 3 382.504 3.982 20 0 GHADHM COCCOc1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000831774047 601973173 /nfs/dbraw/zinc/97/31/73/601973173.db2.gz LMXJBUWSVFOLGI-KRWDZBQOSA-N -1 3 384.259 3.934 20 0 GHADHM C[C@@H](CCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400870 607538567 /nfs/dbraw/zinc/53/85/67/607538567.db2.gz LWBBFNUGSIZNFV-HNNXBMFYSA-N -1 3 387.447 3.575 20 0 GHADHM O=C([O-])N1CCc2cc(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)ccc21 ZINC000740468843 602280625 /nfs/dbraw/zinc/28/06/25/602280625.db2.gz DKNIHQDGQYCZSP-IBGZPJMESA-N -1 3 394.475 3.513 20 0 GHADHM COc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1-c1nnn[n-]1 ZINC000826204776 607560594 /nfs/dbraw/zinc/56/05/94/607560594.db2.gz ZDEGKPRCBBDHHX-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM COc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1-c1nn[n-]n1 ZINC000826204776 607560595 /nfs/dbraw/zinc/56/05/95/607560595.db2.gz ZDEGKPRCBBDHHX-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824662579 607562660 /nfs/dbraw/zinc/56/26/60/607562660.db2.gz NMJOIBSUKWXBPG-VBKZILBWSA-N -1 3 397.454 3.743 20 0 GHADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824662579 607562662 /nfs/dbraw/zinc/56/26/62/607562662.db2.gz NMJOIBSUKWXBPG-VBKZILBWSA-N -1 3 397.454 3.743 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(F)c(F)cc1F ZINC000825609724 607576150 /nfs/dbraw/zinc/57/61/50/607576150.db2.gz RZLKOMZNOQBYCA-UHFFFAOYSA-N -1 3 398.728 3.555 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(F)c(F)cc1F ZINC000825609724 607576151 /nfs/dbraw/zinc/57/61/51/607576151.db2.gz RZLKOMZNOQBYCA-UHFFFAOYSA-N -1 3 398.728 3.555 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000740700013 603214846 /nfs/dbraw/zinc/21/48/46/603214846.db2.gz ZIYKWYYTHXGHCE-GOSISDBHSA-N -1 3 387.867 3.997 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000825943429 603310559 /nfs/dbraw/zinc/31/05/59/603310559.db2.gz CZZVCJNRLAORMY-INIZCTEOSA-N -1 3 382.464 3.905 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000826247351 607653373 /nfs/dbraw/zinc/65/33/73/607653373.db2.gz ADWVRHARYWMQNF-HNNXBMFYSA-N -1 3 385.880 3.795 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000826247351 607653374 /nfs/dbraw/zinc/65/33/74/607653374.db2.gz ADWVRHARYWMQNF-HNNXBMFYSA-N -1 3 385.880 3.795 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c2ccccc2)cc1 ZINC000826189233 607654683 /nfs/dbraw/zinc/65/46/83/607654683.db2.gz QNEJCVHXVOAUCC-NRFANRHFSA-N -1 3 399.454 3.703 20 0 GHADHM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c2ccccc2)cc1 ZINC000826189233 607654684 /nfs/dbraw/zinc/65/46/84/607654684.db2.gz QNEJCVHXVOAUCC-NRFANRHFSA-N -1 3 399.454 3.703 20 0 GHADHM O=C([O-])N1CCc2cccc(CNC[C@H](O)c3ccccc3C(F)(F)F)c21 ZINC000832087734 603856393 /nfs/dbraw/zinc/85/63/93/603856393.db2.gz ZEKJFESPOUMCID-INIZCTEOSA-N -1 3 380.366 3.569 20 0 GHADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826916053 603907117 /nfs/dbraw/zinc/90/71/17/603907117.db2.gz DIHLWKJKZHXEOR-AWEZNQCLSA-N -1 3 392.887 3.992 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826290752 607688976 /nfs/dbraw/zinc/68/89/76/607688976.db2.gz YKIOBMGPXLRSSS-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826290752 607688978 /nfs/dbraw/zinc/68/89/78/607688978.db2.gz YKIOBMGPXLRSSS-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000826247127 607692205 /nfs/dbraw/zinc/69/22/05/607692205.db2.gz URAAAEBIXCCWTQ-SFHVURJKSA-N -1 3 389.484 3.950 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000826247127 607692206 /nfs/dbraw/zinc/69/22/06/607692206.db2.gz URAAAEBIXCCWTQ-SFHVURJKSA-N -1 3 389.484 3.950 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826427628 607701225 /nfs/dbraw/zinc/70/12/25/607701225.db2.gz VTFVTEYVYMDYDK-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826427628 607701227 /nfs/dbraw/zinc/70/12/27/607701227.db2.gz VTFVTEYVYMDYDK-KRWDZBQOSA-N -1 3 396.813 3.507 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825830497 607707146 /nfs/dbraw/zinc/70/71/46/607707146.db2.gz SHJLATRXCKSWDI-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825830497 607707149 /nfs/dbraw/zinc/70/71/49/607707149.db2.gz SHJLATRXCKSWDI-UHFFFAOYSA-N -1 3 375.354 3.638 20 0 GHADHM C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000833549542 604919150 /nfs/dbraw/zinc/91/91/50/604919150.db2.gz ZWZMVRRTBZIZBH-DNVCBOLYSA-N -1 3 384.501 3.892 20 0 GHADHM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833408638 604949977 /nfs/dbraw/zinc/94/99/77/604949977.db2.gz HJBFCBLMIFXOFM-TZMCWYRMSA-N -1 3 386.414 3.855 20 0 GHADHM COc1cc(NC2CCN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)cc(OC)c1 ZINC000833729782 605046343 /nfs/dbraw/zinc/04/63/43/605046343.db2.gz ORYWEKNYLVEAMA-AWEZNQCLSA-N -1 3 388.464 3.941 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000833411437 605174923 /nfs/dbraw/zinc/17/49/23/605174923.db2.gz BQAADEZLYRSBIQ-NRFANRHFSA-N -1 3 380.488 3.619 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000833599964 605281041 /nfs/dbraw/zinc/28/10/41/605281041.db2.gz JBDISHXRNSYKOR-CJNGLKHVSA-N -1 3 386.427 3.700 20 0 GHADHM C[C@@H](Oc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000833538988 605310794 /nfs/dbraw/zinc/31/07/94/605310794.db2.gz FITWXIUBJCUCEY-HIFRSBDPSA-N -1 3 397.397 3.591 20 0 GHADHM CC(C)(C)c1cn2c(n1)CC[C@@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC000833450097 605358276 /nfs/dbraw/zinc/35/82/76/605358276.db2.gz YUBHVABMHDIVIH-DIFFPNOSSA-N -1 3 379.863 3.703 20 0 GHADHM O=C([O-])N1CCC(CCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000834078856 605542185 /nfs/dbraw/zinc/54/21/85/605542185.db2.gz PQONLDILDNEDOY-VXGBXAGGSA-N -1 3 376.341 3.829 20 0 GHADHM Cc1ccc(CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000826286982 607769574 /nfs/dbraw/zinc/76/95/74/607769574.db2.gz YBUWOSDCKNOHNZ-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM Cc1ccc(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000826286982 607769575 /nfs/dbraw/zinc/76/95/75/607769575.db2.gz YBUWOSDCKNOHNZ-UHFFFAOYSA-N -1 3 382.474 3.541 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826284670 607770441 /nfs/dbraw/zinc/77/04/41/607770441.db2.gz AYYFGMMMRKFYJF-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1ccc(C)c(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826284670 607770442 /nfs/dbraw/zinc/77/04/42/607770442.db2.gz AYYFGMMMRKFYJF-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[C@H]1NCc1nccn1CCc1ccccc1 ZINC000834109728 605990769 /nfs/dbraw/zinc/99/07/69/605990769.db2.gz UVVZLJZPCIARAF-XUVXKRRUSA-N -1 3 382.508 3.527 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821431363 606034063 /nfs/dbraw/zinc/03/40/63/606034063.db2.gz RLAQIHVQEQEFFJ-GOSISDBHSA-N -1 3 379.464 3.783 20 0 GHADHM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821431363 606034067 /nfs/dbraw/zinc/03/40/67/606034067.db2.gz RLAQIHVQEQEFFJ-GOSISDBHSA-N -1 3 379.464 3.783 20 0 GHADHM Cc1noc(C(F)F)c1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822519906 606054475 /nfs/dbraw/zinc/05/44/75/606054475.db2.gz OAGFTPAHCQGPCA-UHFFFAOYSA-N -1 3 394.407 3.683 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823779554 606060434 /nfs/dbraw/zinc/06/04/34/606060434.db2.gz GHAIWXCTKJPFLR-FXAWDEMLSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@H]2OCCC[C@H]2CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823779554 606060437 /nfs/dbraw/zinc/06/04/37/606060437.db2.gz GHAIWXCTKJPFLR-FXAWDEMLSA-N -1 3 386.459 3.995 20 0 GHADHM C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819867041 606098786 /nfs/dbraw/zinc/09/87/86/606098786.db2.gz QJZHATRJYIMZDB-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819867041 606098790 /nfs/dbraw/zinc/09/87/90/606098790.db2.gz QJZHATRJYIMZDB-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340709 606117230 /nfs/dbraw/zinc/11/72/30/606117230.db2.gz MYJQBRNYAGOLPS-FRQCXROJSA-N -1 3 390.491 3.590 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340709 606117232 /nfs/dbraw/zinc/11/72/32/606117232.db2.gz MYJQBRNYAGOLPS-FRQCXROJSA-N -1 3 390.491 3.590 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821699599 606123609 /nfs/dbraw/zinc/12/36/09/606123609.db2.gz WCHFPEVQLHETFU-ZETCQYMHSA-N -1 3 399.259 3.953 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000821699599 606123611 /nfs/dbraw/zinc/12/36/11/606123611.db2.gz WCHFPEVQLHETFU-ZETCQYMHSA-N -1 3 399.259 3.953 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)s2)cc1 ZINC000821727274 606125509 /nfs/dbraw/zinc/12/55/09/606125509.db2.gz GRQOCEVAGQTMSA-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000821727274 606125511 /nfs/dbraw/zinc/12/55/11/606125511.db2.gz GRQOCEVAGQTMSA-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820495700 606167318 /nfs/dbraw/zinc/16/73/18/606167318.db2.gz JCVVTJFHRTYLGJ-LLVKDONJSA-N -1 3 387.465 3.549 20 0 GHADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820495700 606167319 /nfs/dbraw/zinc/16/73/19/606167319.db2.gz JCVVTJFHRTYLGJ-LLVKDONJSA-N -1 3 387.465 3.549 20 0 GHADHM O=C(CS[C@@H]1CCCCc2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823055179 606180285 /nfs/dbraw/zinc/18/02/85/606180285.db2.gz JXPUEKIACSFLGA-LJQANCHMSA-N -1 3 393.516 3.684 20 0 GHADHM O=C(CS[C@@H]1CCCCc2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823055179 606180286 /nfs/dbraw/zinc/18/02/86/606180286.db2.gz JXPUEKIACSFLGA-LJQANCHMSA-N -1 3 393.516 3.684 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000823343940 606275093 /nfs/dbraw/zinc/27/50/93/606275093.db2.gz LPZORPKXCDDRQF-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)ccc1OC(F)F ZINC000823343940 606275094 /nfs/dbraw/zinc/27/50/94/606275094.db2.gz LPZORPKXCDDRQF-UHFFFAOYSA-N -1 3 383.717 3.513 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823087453 606282214 /nfs/dbraw/zinc/28/22/14/606282214.db2.gz QBAAULDDSFFOKW-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823087453 606282216 /nfs/dbraw/zinc/28/22/16/606282216.db2.gz QBAAULDDSFFOKW-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CNc2ccccc2)cc1 ZINC000823078210 606290622 /nfs/dbraw/zinc/29/06/22/606290622.db2.gz ISOVOJCGTLTZBX-UHFFFAOYSA-N -1 3 384.443 3.660 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CNc2ccccc2)cc1 ZINC000823078210 606290624 /nfs/dbraw/zinc/29/06/24/606290624.db2.gz ISOVOJCGTLTZBX-UHFFFAOYSA-N -1 3 384.443 3.660 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821455929 606326628 /nfs/dbraw/zinc/32/66/28/606326628.db2.gz MSTFLONKPMLUJE-RBUKOAKNSA-N -1 3 393.516 3.938 20 0 GHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821455929 606326630 /nfs/dbraw/zinc/32/66/30/606326630.db2.gz MSTFLONKPMLUJE-RBUKOAKNSA-N -1 3 393.516 3.938 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC)Oc1ccccc1F ZINC000821099598 606335874 /nfs/dbraw/zinc/33/58/74/606335874.db2.gz KKQMBYZSVMGYAD-SFHVURJKSA-N -1 3 397.454 3.602 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC)Oc1ccccc1F ZINC000821099598 606335876 /nfs/dbraw/zinc/33/58/76/606335876.db2.gz KKQMBYZSVMGYAD-SFHVURJKSA-N -1 3 397.454 3.602 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000823344124 606346381 /nfs/dbraw/zinc/34/63/81/606346381.db2.gz RAMPHLXGGFHBHJ-MRXNPFEDSA-N -1 3 388.353 3.653 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000823344124 606346384 /nfs/dbraw/zinc/34/63/84/606346384.db2.gz RAMPHLXGGFHBHJ-MRXNPFEDSA-N -1 3 388.353 3.653 20 0 GHADHM C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519492 606351084 /nfs/dbraw/zinc/35/10/84/606351084.db2.gz VILGJVPKAWHATB-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519492 606351085 /nfs/dbraw/zinc/35/10/85/606351085.db2.gz VILGJVPKAWHATB-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519292 606353167 /nfs/dbraw/zinc/35/31/67/606353167.db2.gz QWNHGLZZLIVVJV-JTQLQIEISA-N -1 3 383.458 3.970 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519292 606353169 /nfs/dbraw/zinc/35/31/69/606353169.db2.gz QWNHGLZZLIVVJV-JTQLQIEISA-N -1 3 383.458 3.970 20 0 GHADHM C[C@H](OC(=O)CCOc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494383 606355933 /nfs/dbraw/zinc/35/59/33/606355933.db2.gz ACNLDNOIZCAKLX-NSHDSACASA-N -1 3 390.802 3.733 20 0 GHADHM C[C@H](OC(=O)CCOc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494383 606355936 /nfs/dbraw/zinc/35/59/36/606355936.db2.gz ACNLDNOIZCAKLX-NSHDSACASA-N -1 3 390.802 3.733 20 0 GHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1scnc1Cl ZINC000823453885 606360639 /nfs/dbraw/zinc/36/06/39/606360639.db2.gz CZULYGZYNVVIKZ-UHFFFAOYSA-N -1 3 399.819 3.988 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000819883686 606360666 /nfs/dbraw/zinc/36/06/66/606360666.db2.gz KQKYDLWVEGYOPC-JTQLQIEISA-N -1 3 378.310 3.763 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000819883686 606360668 /nfs/dbraw/zinc/36/06/68/606360668.db2.gz KQKYDLWVEGYOPC-JTQLQIEISA-N -1 3 378.310 3.763 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccco1 ZINC000819882650 606360717 /nfs/dbraw/zinc/36/07/17/606360717.db2.gz CDFLFENHJSMLLN-CYBMUJFWSA-N -1 3 376.372 3.961 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccco1 ZINC000819882650 606360719 /nfs/dbraw/zinc/36/07/19/606360719.db2.gz CDFLFENHJSMLLN-CYBMUJFWSA-N -1 3 376.372 3.961 20 0 GHADHM O=C(CC[C@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822950309 606361796 /nfs/dbraw/zinc/36/17/96/606361796.db2.gz JIHMYBXQJKZNFE-OAHLLOKOSA-N -1 3 380.404 3.524 20 0 GHADHM O=C(CC[C@H]1CCCO1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822950309 606361798 /nfs/dbraw/zinc/36/17/98/606361798.db2.gz JIHMYBXQJKZNFE-OAHLLOKOSA-N -1 3 380.404 3.524 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820937642 606362327 /nfs/dbraw/zinc/36/23/27/606362327.db2.gz AVDXKOJAHJSTPW-WBMJQRKESA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820937642 606362328 /nfs/dbraw/zinc/36/23/28/606362328.db2.gz AVDXKOJAHJSTPW-WBMJQRKESA-N -1 3 385.855 3.555 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820869244 606382336 /nfs/dbraw/zinc/38/23/36/606382336.db2.gz FJBCSBSNDOZUED-CQSZACIVSA-N -1 3 395.467 3.954 20 0 GHADHM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820869244 606382337 /nfs/dbraw/zinc/38/23/37/606382337.db2.gz FJBCSBSNDOZUED-CQSZACIVSA-N -1 3 395.467 3.954 20 0 GHADHM O=C1c2cc(Cl)ccc2N[C@H](c2ccc(-c3nnn[n-]3)s2)N1CC1CC1 ZINC000823551078 606394658 /nfs/dbraw/zinc/39/46/58/606394658.db2.gz DPONNHCAGNIRHO-INIZCTEOSA-N -1 3 386.868 3.558 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230376 606398615 /nfs/dbraw/zinc/39/86/15/606398615.db2.gz DXLZNDZAPOOXTN-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230376 606398616 /nfs/dbraw/zinc/39/86/16/606398616.db2.gz DXLZNDZAPOOXTN-OAHLLOKOSA-N -1 3 378.432 3.751 20 0 GHADHM c1c2ccccc2oc1-c1nnc(SCc2ccccc2-c2nnn[n-]2)o1 ZINC000823772666 606400442 /nfs/dbraw/zinc/40/04/42/606400442.db2.gz LMLMQEFNPUWYIK-UHFFFAOYSA-N -1 3 376.401 3.955 20 0 GHADHM c1c2ccccc2oc1-c1nnc(SCc2ccccc2-c2nn[n-]n2)o1 ZINC000823772666 606400443 /nfs/dbraw/zinc/40/04/43/606400443.db2.gz LMLMQEFNPUWYIK-UHFFFAOYSA-N -1 3 376.401 3.955 20 0 GHADHM Fc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(OCC(F)(F)F)c1 ZINC000822783110 606459398 /nfs/dbraw/zinc/45/93/98/606459398.db2.gz VOYGUTVPTGFQBY-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM Fc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(OCC(F)(F)F)c1 ZINC000822783110 606459399 /nfs/dbraw/zinc/45/93/99/606459399.db2.gz VOYGUTVPTGFQBY-UHFFFAOYSA-N -1 3 385.296 3.698 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823732388 606473191 /nfs/dbraw/zinc/47/31/91/606473191.db2.gz LXANBMLLJLDEOF-KBPBESRZSA-N -1 3 394.957 3.577 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823732388 606473193 /nfs/dbraw/zinc/47/31/93/606473193.db2.gz LXANBMLLJLDEOF-KBPBESRZSA-N -1 3 394.957 3.577 20 0 GHADHM CN(Cc1ccc(Cl)s1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821610907 606479913 /nfs/dbraw/zinc/47/99/13/606479913.db2.gz JUUOXFMFOKQXGK-UHFFFAOYSA-N -1 3 385.827 3.815 20 0 GHADHM CN(Cc1ccc(Cl)s1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821610907 606479915 /nfs/dbraw/zinc/47/99/15/606479915.db2.gz JUUOXFMFOKQXGK-UHFFFAOYSA-N -1 3 385.827 3.815 20 0 GHADHM C[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820395963 606490270 /nfs/dbraw/zinc/49/02/70/606490270.db2.gz AMJIZJIGZOHIOZ-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM C[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820395963 606490272 /nfs/dbraw/zinc/49/02/72/606490272.db2.gz AMJIZJIGZOHIOZ-LLVKDONJSA-N -1 3 378.823 3.559 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000823466196 606492390 /nfs/dbraw/zinc/49/23/90/606492390.db2.gz GGUOWRGXIOHDBK-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000823466196 606492392 /nfs/dbraw/zinc/49/23/92/606492392.db2.gz GGUOWRGXIOHDBK-UHFFFAOYSA-N -1 3 385.468 3.695 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171119 606511543 /nfs/dbraw/zinc/51/15/43/606511543.db2.gz PDSBERKBYNFESH-UHFFFAOYSA-N -1 3 385.518 3.763 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171119 606511544 /nfs/dbraw/zinc/51/15/44/606511544.db2.gz PDSBERKBYNFESH-UHFFFAOYSA-N -1 3 385.518 3.763 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCCC1 ZINC000819868520 606525658 /nfs/dbraw/zinc/52/56/58/606525658.db2.gz ZKZRZOVLSLTALV-CYBMUJFWSA-N -1 3 378.436 3.819 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000823472447 606555278 /nfs/dbraw/zinc/55/52/78/606555278.db2.gz MRKKVGCACJCEFJ-LLVKDONJSA-N -1 3 396.501 3.558 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000823472447 606555279 /nfs/dbraw/zinc/55/52/79/606555279.db2.gz MRKKVGCACJCEFJ-LLVKDONJSA-N -1 3 396.501 3.558 20 0 GHADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822010356 606555947 /nfs/dbraw/zinc/55/59/47/606555947.db2.gz ZGNJLYNSCMFCKO-UHFFFAOYSA-N -1 3 392.488 3.738 20 0 GHADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822010356 606555948 /nfs/dbraw/zinc/55/59/48/606555948.db2.gz ZGNJLYNSCMFCKO-UHFFFAOYSA-N -1 3 392.488 3.738 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(C(F)F)cc1 ZINC000823421747 606560161 /nfs/dbraw/zinc/56/01/61/606560161.db2.gz HLSYYOIVLXZGCR-UHFFFAOYSA-N -1 3 396.300 3.763 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(C(F)F)cc1 ZINC000823421747 606560165 /nfs/dbraw/zinc/56/01/65/606560165.db2.gz HLSYYOIVLXZGCR-UHFFFAOYSA-N -1 3 396.300 3.763 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc2ccccc2n1C1CCCC1 ZINC000823108712 606571826 /nfs/dbraw/zinc/57/18/26/606571826.db2.gz PNHYHZOLLRXDFH-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc2ccccc2n1C1CCCC1 ZINC000823108712 606571828 /nfs/dbraw/zinc/57/18/28/606571828.db2.gz PNHYHZOLLRXDFH-UHFFFAOYSA-N -1 3 387.447 3.513 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819949919 606578681 /nfs/dbraw/zinc/57/86/81/606578681.db2.gz CFSSYGUQDUGKAP-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC(C)(C)OCc1ccc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819949919 606578682 /nfs/dbraw/zinc/57/86/82/606578682.db2.gz CFSSYGUQDUGKAP-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821717763 606579542 /nfs/dbraw/zinc/57/95/42/606579542.db2.gz XRQIFSMHAOIVHW-VIFPVBQESA-N -1 3 392.246 3.673 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821717763 606579544 /nfs/dbraw/zinc/57/95/44/606579544.db2.gz XRQIFSMHAOIVHW-VIFPVBQESA-N -1 3 392.246 3.673 20 0 GHADHM COc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821824471 606597078 /nfs/dbraw/zinc/59/70/78/606597078.db2.gz KGWCSZJDWWKCJC-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM COc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000821824471 606597079 /nfs/dbraw/zinc/59/70/79/606597079.db2.gz KGWCSZJDWWKCJC-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM CC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819764435 606601638 /nfs/dbraw/zinc/60/16/38/606601638.db2.gz GVZZYVOCAIKAEG-JLHYYAGUSA-N -1 3 399.401 3.530 20 0 GHADHM CC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819764435 606601640 /nfs/dbraw/zinc/60/16/40/606601640.db2.gz GVZZYVOCAIKAEG-JLHYYAGUSA-N -1 3 399.401 3.530 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1OC(F)F ZINC000819764163 606601750 /nfs/dbraw/zinc/60/17/50/606601750.db2.gz GHLRGBCVURVQSZ-FMIVXFBMSA-N -1 3 385.374 3.819 20 0 GHADHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1OC(F)F ZINC000819764163 606601751 /nfs/dbraw/zinc/60/17/51/606601751.db2.gz GHLRGBCVURVQSZ-FMIVXFBMSA-N -1 3 385.374 3.819 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cnccc1-c1cccc(F)c1 ZINC000823308480 606613228 /nfs/dbraw/zinc/61/32/28/606613228.db2.gz BOZQJSTXIQEGFG-UHFFFAOYSA-N -1 3 375.367 3.712 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)Nc1cnccc1-c1cccc(F)c1 ZINC000823308480 606613230 /nfs/dbraw/zinc/61/32/30/606613230.db2.gz BOZQJSTXIQEGFG-UHFFFAOYSA-N -1 3 375.367 3.712 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456061 606626812 /nfs/dbraw/zinc/62/68/12/606626812.db2.gz MYMBGTNFUPCLKN-UONOGXRCSA-N -1 3 396.973 3.871 20 0 GHADHM CCS[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456061 606626814 /nfs/dbraw/zinc/62/68/14/606626814.db2.gz MYMBGTNFUPCLKN-UONOGXRCSA-N -1 3 396.973 3.871 20 0 GHADHM O=C1[C@H](Sc2ccc(Cl)cc2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000823514316 606629751 /nfs/dbraw/zinc/62/97/51/606629751.db2.gz YXVXAWNNXUNLQG-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccc(Cl)cc2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000823514316 606629752 /nfs/dbraw/zinc/62/97/52/606629752.db2.gz YXVXAWNNXUNLQG-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)NCc1ccc(Cl)cc1 ZINC000823065942 606629825 /nfs/dbraw/zinc/62/98/25/606629825.db2.gz FSCRNLPOWPXKKT-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)NCc1ccc(Cl)cc1 ZINC000823065942 606629827 /nfs/dbraw/zinc/62/98/27/606629827.db2.gz FSCRNLPOWPXKKT-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000820380483 606630086 /nfs/dbraw/zinc/63/00/86/606630086.db2.gz UNSMRUFAQWQQRW-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000820380483 606630087 /nfs/dbraw/zinc/63/00/87/606630087.db2.gz UNSMRUFAQWQQRW-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1(C)CCC1 ZINC000822211903 606631736 /nfs/dbraw/zinc/63/17/36/606631736.db2.gz SOBCVZRFBQTJEX-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1(C)CCC1 ZINC000822211903 606631738 /nfs/dbraw/zinc/63/17/38/606631738.db2.gz SOBCVZRFBQTJEX-UHFFFAOYSA-N -1 3 377.448 3.883 20 0 GHADHM O=C(CC1CCCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822940854 606632478 /nfs/dbraw/zinc/63/24/78/606632478.db2.gz HHYNWNGSMYVHHK-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821612370 606662126 /nfs/dbraw/zinc/66/21/26/606662126.db2.gz SKXIXAMJAHPOLG-UHFFFAOYSA-N -1 3 379.370 3.570 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821612370 606662127 /nfs/dbraw/zinc/66/21/27/606662127.db2.gz SKXIXAMJAHPOLG-UHFFFAOYSA-N -1 3 379.370 3.570 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3F)c2-c2nnn[n-]2)C1 ZINC000820727011 606664067 /nfs/dbraw/zinc/66/40/67/606664067.db2.gz FNLGPBWEJZBFPA-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3F)c2-c2nn[n-]n2)C1 ZINC000820727011 606664068 /nfs/dbraw/zinc/66/40/68/606664068.db2.gz FNLGPBWEJZBFPA-SECBINFHSA-N -1 3 389.431 3.512 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCO[C@@H](C)CC(C)C ZINC000821389538 606666392 /nfs/dbraw/zinc/66/63/92/606666392.db2.gz NLMATLFBVLYESI-LBPRGKRZSA-N -1 3 396.875 3.666 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCO[C@@H](C)CC(C)C ZINC000821389538 606666393 /nfs/dbraw/zinc/66/63/93/606666393.db2.gz NLMATLFBVLYESI-LBPRGKRZSA-N -1 3 396.875 3.666 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822958850 606666995 /nfs/dbraw/zinc/66/69/95/606666995.db2.gz KBAXUCHNMAJFGP-UHFFFAOYSA-N -1 3 396.303 3.874 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822958850 606666996 /nfs/dbraw/zinc/66/69/96/606666996.db2.gz KBAXUCHNMAJFGP-UHFFFAOYSA-N -1 3 396.303 3.874 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820882716 606667774 /nfs/dbraw/zinc/66/77/74/606667774.db2.gz YHVGDDPZJCPLBB-MRXNPFEDSA-N -1 3 393.491 3.669 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820882716 606667775 /nfs/dbraw/zinc/66/77/75/606667775.db2.gz YHVGDDPZJCPLBB-MRXNPFEDSA-N -1 3 393.491 3.669 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821461406 606677602 /nfs/dbraw/zinc/67/76/02/606677602.db2.gz NNGJSPPFFZUROI-JTQLQIEISA-N -1 3 389.431 3.748 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821461406 606677603 /nfs/dbraw/zinc/67/76/03/606677603.db2.gz NNGJSPPFFZUROI-JTQLQIEISA-N -1 3 389.431 3.748 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1Cl ZINC000820385541 606680695 /nfs/dbraw/zinc/68/06/95/606680695.db2.gz UAWMQVJWJBCUSE-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1Cl ZINC000820385541 606680696 /nfs/dbraw/zinc/68/06/96/606680696.db2.gz UAWMQVJWJBCUSE-SSDOTTSWSA-N -1 3 398.200 3.943 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(c1ccccc1F)C1CCCC1 ZINC000823454282 606683044 /nfs/dbraw/zinc/68/30/44/606683044.db2.gz MLLIHRNGXSJCOG-UHFFFAOYSA-N -1 3 387.365 3.873 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(c1ccccc1F)C1CCCC1 ZINC000823454282 606683045 /nfs/dbraw/zinc/68/30/45/606683045.db2.gz MLLIHRNGXSJCOG-UHFFFAOYSA-N -1 3 387.365 3.873 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820295059 606685494 /nfs/dbraw/zinc/68/54/94/606685494.db2.gz XLHFEYZNBFJQEN-JTQLQIEISA-N -1 3 375.404 3.512 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820295059 606685495 /nfs/dbraw/zinc/68/54/95/606685495.db2.gz XLHFEYZNBFJQEN-JTQLQIEISA-N -1 3 375.404 3.512 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823078168 606693927 /nfs/dbraw/zinc/69/39/27/606693927.db2.gz HBSFGZAXGMTOSL-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823078168 606693928 /nfs/dbraw/zinc/69/39/28/606693928.db2.gz HBSFGZAXGMTOSL-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000822929127 606694517 /nfs/dbraw/zinc/69/45/17/606694517.db2.gz PYMYKHZZIBSODR-TWLJRWAQSA-N -1 3 399.429 3.925 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000822929127 606694518 /nfs/dbraw/zinc/69/45/18/606694518.db2.gz PYMYKHZZIBSODR-TWLJRWAQSA-N -1 3 399.429 3.925 20 0 GHADHM CCOc1cc(Cl)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821394508 606706746 /nfs/dbraw/zinc/70/67/46/606706746.db2.gz KRZXQVAONKLXGH-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM CCOc1cc(Cl)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821394508 606706747 /nfs/dbraw/zinc/70/67/47/606706747.db2.gz KRZXQVAONKLXGH-UHFFFAOYSA-N -1 3 397.826 3.581 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1F ZINC000822228887 606745237 /nfs/dbraw/zinc/74/52/37/606745237.db2.gz HXICNUGFVKSCKO-AWEZNQCLSA-N -1 3 394.454 3.749 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1F ZINC000822228887 606745239 /nfs/dbraw/zinc/74/52/39/606745239.db2.gz HXICNUGFVKSCKO-AWEZNQCLSA-N -1 3 394.454 3.749 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820358398 606745339 /nfs/dbraw/zinc/74/53/39/606745339.db2.gz NJBMATKHRYGEPY-DYVFJYSZSA-N -1 3 392.463 3.529 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820358398 606745341 /nfs/dbraw/zinc/74/53/41/606745341.db2.gz NJBMATKHRYGEPY-DYVFJYSZSA-N -1 3 392.463 3.529 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C2CCCC2)cc1 ZINC000822137024 606775876 /nfs/dbraw/zinc/77/58/76/606775876.db2.gz UACYNJMRYOVFOB-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)C2CCCC2)cc1 ZINC000822137024 606775878 /nfs/dbraw/zinc/77/58/78/606775878.db2.gz UACYNJMRYOVFOB-UHFFFAOYSA-N -1 3 377.448 3.982 20 0 GHADHM COc1ccc(-c2cc(COc3cc(Cl)ccc3-c3nnn[n-]3)on2)cc1 ZINC000821727311 606778933 /nfs/dbraw/zinc/77/89/33/606778933.db2.gz HIPUGQIPMREEMY-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM COc1ccc(-c2cc(COc3cc(Cl)ccc3-c3nn[n-]n3)on2)cc1 ZINC000821727311 606778934 /nfs/dbraw/zinc/77/89/34/606778934.db2.gz HIPUGQIPMREEMY-UHFFFAOYSA-N -1 3 383.795 3.763 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1ccccc1C(F)(F)F ZINC000823032491 606783823 /nfs/dbraw/zinc/78/38/23/606783823.db2.gz WNWZDXNDQWVZKZ-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1ccccc1C(F)(F)F ZINC000823032491 606783824 /nfs/dbraw/zinc/78/38/24/606783824.db2.gz WNWZDXNDQWVZKZ-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM Cc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(Cl)c1 ZINC000822233796 606801804 /nfs/dbraw/zinc/80/18/04/606801804.db2.gz VEWFHCOTTYGUES-UHFFFAOYSA-N -1 3 383.883 3.808 20 0 GHADHM Cc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(Cl)c1 ZINC000822233796 606801806 /nfs/dbraw/zinc/80/18/06/606801806.db2.gz VEWFHCOTTYGUES-UHFFFAOYSA-N -1 3 383.883 3.808 20 0 GHADHM O=C(CC1CCSCC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822945585 606803301 /nfs/dbraw/zinc/80/33/01/606803301.db2.gz KMBCKVKXXKSXKI-UHFFFAOYSA-N -1 3 399.545 3.745 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822230791 606806354 /nfs/dbraw/zinc/80/63/54/606806354.db2.gz QKFFOIDOVTVELN-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822230791 606806357 /nfs/dbraw/zinc/80/63/57/606806357.db2.gz QKFFOIDOVTVELN-SFHVURJKSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230395 606807671 /nfs/dbraw/zinc/80/76/71/606807671.db2.gz FJTOENWERLAUCJ-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230395 606807672 /nfs/dbraw/zinc/80/76/72/606807672.db2.gz FJTOENWERLAUCJ-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000822144016 606811573 /nfs/dbraw/zinc/81/15/73/606811573.db2.gz JCJFVBPHGHEIHJ-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000822978442 606816172 /nfs/dbraw/zinc/81/61/72/606816172.db2.gz KZNPOLLDBDNCAQ-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1CCC(F)(F)F ZINC000822978442 606816174 /nfs/dbraw/zinc/81/61/74/606816174.db2.gz KZNPOLLDBDNCAQ-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)O1 ZINC000820972073 606828080 /nfs/dbraw/zinc/82/80/80/606828080.db2.gz KHKHLHYTQVMOAN-VQIMIIECSA-N -1 3 378.432 3.535 20 0 GHADHM CC[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)O1 ZINC000820972073 606828082 /nfs/dbraw/zinc/82/80/82/606828082.db2.gz KHKHLHYTQVMOAN-VQIMIIECSA-N -1 3 378.432 3.535 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000823246447 606829046 /nfs/dbraw/zinc/82/90/46/606829046.db2.gz PLJUFRADPYPNJG-UHFFFAOYSA-N -1 3 394.454 3.660 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000823246447 606829048 /nfs/dbraw/zinc/82/90/48/606829048.db2.gz PLJUFRADPYPNJG-UHFFFAOYSA-N -1 3 394.454 3.660 20 0 GHADHM FC(F)(F)c1nc2ccccc2n1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822729218 606837932 /nfs/dbraw/zinc/83/79/32/606837932.db2.gz WKRDQOFFJKJLEC-UHFFFAOYSA-N -1 3 388.353 3.704 20 0 GHADHM FC(F)(F)c1nc2ccccc2n1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822729218 606837933 /nfs/dbraw/zinc/83/79/33/606837933.db2.gz WKRDQOFFJKJLEC-UHFFFAOYSA-N -1 3 388.353 3.704 20 0 GHADHM CC[C@H](S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1 ZINC000820937694 606874063 /nfs/dbraw/zinc/87/40/63/606874063.db2.gz CAJDFXZKAXQBQA-GJZGRUSLSA-N -1 3 385.518 3.918 20 0 GHADHM CC[C@H](S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1 ZINC000820937694 606874065 /nfs/dbraw/zinc/87/40/65/606874065.db2.gz CAJDFXZKAXQBQA-GJZGRUSLSA-N -1 3 385.518 3.918 20 0 GHADHM O[C@H](CN1CCCSc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682719 606930903 /nfs/dbraw/zinc/93/09/03/606930903.db2.gz UHJHPDXIANZQJV-MRXNPFEDSA-N -1 3 387.896 3.556 20 0 GHADHM O[C@H](CN1CCCSc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682719 606930904 /nfs/dbraw/zinc/93/09/04/606930904.db2.gz UHJHPDXIANZQJV-MRXNPFEDSA-N -1 3 387.896 3.556 20 0 GHADHM CC(C)c1ccc(N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820192352 606936060 /nfs/dbraw/zinc/93/60/60/606936060.db2.gz KVIJOLWWBLAESA-UHFFFAOYSA-N -1 3 381.505 3.886 20 0 GHADHM CC(C)c1ccc(N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192352 606936061 /nfs/dbraw/zinc/93/60/61/606936061.db2.gz KVIJOLWWBLAESA-UHFFFAOYSA-N -1 3 381.505 3.886 20 0 GHADHM CCc1nnc(Oc2ccc(-c3cscn3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821547751 606942431 /nfs/dbraw/zinc/94/24/31/606942431.db2.gz BFTZCSGGQUHSOA-UHFFFAOYSA-N -1 3 379.449 3.697 20 0 GHADHM O=C(OC/C(Cl)=C/Cl)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823397057 606948863 /nfs/dbraw/zinc/94/88/63/606948863.db2.gz RFEZPOBUNVTYSG-XFFZJAGNSA-N -1 3 395.202 3.515 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccsc2)C1 ZINC000822718460 606949777 /nfs/dbraw/zinc/94/97/77/606949777.db2.gz IYDRJACCAOHIRN-AWEZNQCLSA-N -1 3 381.383 3.525 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820950453 606957692 /nfs/dbraw/zinc/95/76/92/606957692.db2.gz NKPAMOGPGJGWMR-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@]1(C)CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820950453 606957694 /nfs/dbraw/zinc/95/76/94/606957694.db2.gz NKPAMOGPGJGWMR-JOCHJYFZSA-N -1 3 391.475 3.708 20 0 GHADHM CN(C(=O)c1cc(-c2cccc(F)c2)no1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572131 606958795 /nfs/dbraw/zinc/95/87/95/606958795.db2.gz SHKKHNLADPEJQI-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)c1cc(-c2cccc(F)c2)no1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572131 606958797 /nfs/dbraw/zinc/95/87/97/606958797.db2.gz SHKKHNLADPEJQI-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)CCc1cc(Cl)cs1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569500 606959283 /nfs/dbraw/zinc/95/92/83/606959283.db2.gz MJEYWSXGYVAGTJ-UHFFFAOYSA-N -1 3 382.276 3.831 20 0 GHADHM CN(C(=O)CCc1cc(Cl)cs1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569500 606959285 /nfs/dbraw/zinc/95/92/85/606959285.db2.gz MJEYWSXGYVAGTJ-UHFFFAOYSA-N -1 3 382.276 3.831 20 0 GHADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822016098 606959638 /nfs/dbraw/zinc/95/96/38/606959638.db2.gz VFRJOHHTJKGGQJ-UHFFFAOYSA-N -1 3 385.786 3.990 20 0 GHADHM Cc1c2cccc(F)c2oc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822016098 606959640 /nfs/dbraw/zinc/95/96/40/606959640.db2.gz VFRJOHHTJKGGQJ-UHFFFAOYSA-N -1 3 385.786 3.990 20 0 GHADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569750 606960748 /nfs/dbraw/zinc/96/07/48/606960748.db2.gz UNQVTAKQGIXNCE-ZDUSSCGKSA-N -1 3 385.880 3.763 20 0 GHADHM CN(C(=O)[C@H]1CCSc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569750 606960749 /nfs/dbraw/zinc/96/07/49/606960749.db2.gz UNQVTAKQGIXNCE-ZDUSSCGKSA-N -1 3 385.880 3.763 20 0 GHADHM CN(C(=O)/C=C\SCc1ccco1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569224 606962440 /nfs/dbraw/zinc/96/24/40/606962440.db2.gz CAVIIWIQHNEDAW-VURMDHGXSA-N -1 3 375.841 3.523 20 0 GHADHM CN(C(=O)/C=C\SCc1ccco1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569224 606962441 /nfs/dbraw/zinc/96/24/41/606962441.db2.gz CAVIIWIQHNEDAW-VURMDHGXSA-N -1 3 375.841 3.523 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822299589 606979137 /nfs/dbraw/zinc/97/91/37/606979137.db2.gz NXIVVALNANVSAP-INIZCTEOSA-N -1 3 399.911 3.757 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822299589 606979138 /nfs/dbraw/zinc/97/91/38/606979138.db2.gz NXIVVALNANVSAP-INIZCTEOSA-N -1 3 399.911 3.757 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822263037 606992424 /nfs/dbraw/zinc/99/24/24/606992424.db2.gz IBVZIMFDXHAHCV-AWEZNQCLSA-N -1 3 399.882 3.865 20 0 GHADHM Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822263037 606992425 /nfs/dbraw/zinc/99/24/25/606992425.db2.gz IBVZIMFDXHAHCV-AWEZNQCLSA-N -1 3 399.882 3.865 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820554883 607009824 /nfs/dbraw/zinc/00/98/24/607009824.db2.gz ATWJOUKQAJEDSY-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820554883 607009826 /nfs/dbraw/zinc/00/98/26/607009826.db2.gz ATWJOUKQAJEDSY-NEPJUHHUSA-N -1 3 387.896 3.878 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314815 607009876 /nfs/dbraw/zinc/00/98/76/607009876.db2.gz KHGGRDJPPVZBJK-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314815 607009879 /nfs/dbraw/zinc/00/98/79/607009879.db2.gz KHGGRDJPPVZBJK-KBXCAEBGSA-N -1 3 381.505 3.861 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000822748258 607010164 /nfs/dbraw/zinc/01/01/64/607010164.db2.gz PJSWFFVHIAVYPQ-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000822748258 607010166 /nfs/dbraw/zinc/01/01/66/607010166.db2.gz PJSWFFVHIAVYPQ-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM CC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938647 607013258 /nfs/dbraw/zinc/01/32/58/607013258.db2.gz LCYNBRZUPZKPGV-QGZVFWFLSA-N -1 3 381.461 3.579 20 0 GHADHM CC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938647 607013259 /nfs/dbraw/zinc/01/32/59/607013259.db2.gz LCYNBRZUPZKPGV-QGZVFWFLSA-N -1 3 381.461 3.579 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)NCC1(c2ccccc2)CCCC1 ZINC000823070485 607015453 /nfs/dbraw/zinc/01/54/53/607015453.db2.gz AFTDRMYRZFQKBH-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)NCC1(c2ccccc2)CCCC1 ZINC000823070485 607015455 /nfs/dbraw/zinc/01/54/55/607015455.db2.gz AFTDRMYRZFQKBH-UHFFFAOYSA-N -1 3 393.516 3.587 20 0 GHADHM Cc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822202433 607021489 /nfs/dbraw/zinc/02/14/89/607021489.db2.gz ZKXWUFGAQJBDTH-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000820380156 607035758 /nfs/dbraw/zinc/03/57/58/607035758.db2.gz MESHPLNWWCHHFO-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000820380156 607035759 /nfs/dbraw/zinc/03/57/59/607035759.db2.gz MESHPLNWWCHHFO-GFCCVEGCSA-N -1 3 396.426 3.677 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000822758764 607038769 /nfs/dbraw/zinc/03/87/69/607038769.db2.gz XWEKRQAMSMKYAT-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000822758764 607038770 /nfs/dbraw/zinc/03/87/70/607038770.db2.gz XWEKRQAMSMKYAT-UHFFFAOYSA-N -1 3 393.451 3.756 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000822423722 607045049 /nfs/dbraw/zinc/04/50/49/607045049.db2.gz NOGTWZRRSMTOPZ-ZDUSSCGKSA-N -1 3 377.477 3.891 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000822423722 607045050 /nfs/dbraw/zinc/04/50/50/607045050.db2.gz NOGTWZRRSMTOPZ-ZDUSSCGKSA-N -1 3 377.477 3.891 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccccc2)cs1 ZINC000820426350 607059000 /nfs/dbraw/zinc/05/90/00/607059000.db2.gz ISFVURDYULELLD-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccccc2)cs1 ZINC000820426350 607059001 /nfs/dbraw/zinc/05/90/01/607059001.db2.gz ISFVURDYULELLD-LBPRGKRZSA-N -1 3 380.452 3.980 20 0 GHADHM Cc1ccc2c(CNc3ccc(-c4nn[n-]n4)cc3Cl)cc(=O)oc2c1C ZINC000822274622 607126061 /nfs/dbraw/zinc/12/60/61/607126061.db2.gz CXEBNSWYIGWAFL-UHFFFAOYSA-N -1 3 381.823 3.855 20 0 GHADHM CCc1c(C)sc(NC(=O)C=CSCc2ccco2)c1-c1nn[n-]n1 ZINC000821465316 607144298 /nfs/dbraw/zinc/14/42/98/607144298.db2.gz FSKWZZNFHUHUKS-SOFGYWHQSA-N -1 3 375.479 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)/C=C/SCc2ccco2)c1-c1nn[n-]n1 ZINC000821465316 607144300 /nfs/dbraw/zinc/14/43/00/607144300.db2.gz FSKWZZNFHUHUKS-SOFGYWHQSA-N -1 3 375.479 3.778 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC000820151654 607156675 /nfs/dbraw/zinc/15/66/75/607156675.db2.gz LPJDRQTZAIFDJS-AWEZNQCLSA-N -1 3 387.484 3.720 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC000820151654 607156676 /nfs/dbraw/zinc/15/66/76/607156676.db2.gz LPJDRQTZAIFDJS-AWEZNQCLSA-N -1 3 387.484 3.720 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314471 607162641 /nfs/dbraw/zinc/16/26/41/607162641.db2.gz JMFQLBJKUHPGLU-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000820314471 607162644 /nfs/dbraw/zinc/16/26/44/607162644.db2.gz JMFQLBJKUHPGLU-KSSFIOAISA-N -1 3 381.505 3.861 20 0 GHADHM Clc1ccc(Cl)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822573769 607164781 /nfs/dbraw/zinc/16/47/81/607164781.db2.gz IAQSKIYGTJWMHA-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(Cl)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822573769 607164782 /nfs/dbraw/zinc/16/47/82/607164782.db2.gz IAQSKIYGTJWMHA-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM CSC[C@H]1CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821962898 607166880 /nfs/dbraw/zinc/16/68/80/607166880.db2.gz YGIUAYALMLRMPV-GOSISDBHSA-N -1 3 394.504 3.578 20 0 GHADHM CC(C)c1nnc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)o1 ZINC000820206620 607171839 /nfs/dbraw/zinc/17/18/39/607171839.db2.gz SLBCYIIHHOZLAH-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM CC(C)c1nnc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)o1 ZINC000820206620 607171840 /nfs/dbraw/zinc/17/18/40/607171840.db2.gz SLBCYIIHHOZLAH-UHFFFAOYSA-N -1 3 391.435 3.564 20 0 GHADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040192 607190085 /nfs/dbraw/zinc/19/00/85/607190085.db2.gz FMUCMMVPYGQHPD-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040192 607190086 /nfs/dbraw/zinc/19/00/86/607190086.db2.gz FMUCMMVPYGQHPD-UHFFFAOYSA-N -1 3 398.637 3.844 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820535771 607190608 /nfs/dbraw/zinc/19/06/08/607190608.db2.gz QRWHNDIANVYDRD-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820535771 607190609 /nfs/dbraw/zinc/19/06/09/607190609.db2.gz QRWHNDIANVYDRD-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1Br ZINC000823318281 607191133 /nfs/dbraw/zinc/19/11/33/607191133.db2.gz BEVINWQXQVXHGO-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1Br ZINC000823318281 607191134 /nfs/dbraw/zinc/19/11/34/607191134.db2.gz BEVINWQXQVXHGO-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CCN(CCc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821213369 607196406 /nfs/dbraw/zinc/19/64/06/607196406.db2.gz BXGBDLJVQKCFMH-UHFFFAOYSA-N -1 3 376.873 3.678 20 0 GHADHM CCN(CCc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821213369 607196407 /nfs/dbraw/zinc/19/64/07/607196407.db2.gz BXGBDLJVQKCFMH-UHFFFAOYSA-N -1 3 376.873 3.678 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCSc2ccccc21 ZINC000823318871 607198906 /nfs/dbraw/zinc/19/89/06/607198906.db2.gz MOHYUEGUWZCOPE-CYBMUJFWSA-N -1 3 386.868 3.879 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCSc2ccccc21 ZINC000823318871 607198907 /nfs/dbraw/zinc/19/89/07/607198907.db2.gz MOHYUEGUWZCOPE-CYBMUJFWSA-N -1 3 386.868 3.879 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821891253 607199470 /nfs/dbraw/zinc/19/94/70/607199470.db2.gz YKDMSOXLKHHCTD-ZDUSSCGKSA-N -1 3 398.854 3.550 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821891253 607199471 /nfs/dbraw/zinc/19/94/71/607199471.db2.gz YKDMSOXLKHHCTD-ZDUSSCGKSA-N -1 3 398.854 3.550 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000820743016 607200161 /nfs/dbraw/zinc/20/01/61/607200161.db2.gz PGBRZGCCWFDLFL-SJCJKPOMSA-N -1 3 398.854 3.514 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000820743016 607200162 /nfs/dbraw/zinc/20/01/62/607200162.db2.gz PGBRZGCCWFDLFL-SJCJKPOMSA-N -1 3 398.854 3.514 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820643183 607200528 /nfs/dbraw/zinc/20/05/28/607200528.db2.gz RJVWGQPGOVOHRB-DOMZBBRYSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820643183 607200529 /nfs/dbraw/zinc/20/05/29/607200529.db2.gz RJVWGQPGOVOHRB-DOMZBBRYSA-N -1 3 382.855 3.930 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821609638 607202400 /nfs/dbraw/zinc/20/24/00/607202400.db2.gz FSGDLSQIICYACP-UHFFFAOYSA-N -1 3 377.235 3.837 20 0 GHADHM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821609638 607202401 /nfs/dbraw/zinc/20/24/01/607202401.db2.gz FSGDLSQIICYACP-UHFFFAOYSA-N -1 3 377.235 3.837 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821449433 607202568 /nfs/dbraw/zinc/20/25/68/607202568.db2.gz TZISHSHBRMKALC-RYUDHWBXSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821449433 607202569 /nfs/dbraw/zinc/20/25/69/607202569.db2.gz TZISHSHBRMKALC-RYUDHWBXSA-N -1 3 380.905 3.658 20 0 GHADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820300976 607229575 /nfs/dbraw/zinc/22/95/75/607229575.db2.gz UCAHEUCVBGIAMR-OAHLLOKOSA-N -1 3 399.454 3.600 20 0 GHADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820300976 607229576 /nfs/dbraw/zinc/22/95/76/607229576.db2.gz UCAHEUCVBGIAMR-OAHLLOKOSA-N -1 3 399.454 3.600 20 0 GHADHM O=C(Nc1cccc(NC2CCCC2)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823367636 607234069 /nfs/dbraw/zinc/23/40/69/607234069.db2.gz MLPHTUCCYNSRPO-UHFFFAOYSA-N -1 3 383.843 3.522 20 0 GHADHM O=C(Nc1cccc(NC2CCCC2)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823367636 607234070 /nfs/dbraw/zinc/23/40/70/607234070.db2.gz MLPHTUCCYNSRPO-UHFFFAOYSA-N -1 3 383.843 3.522 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823313881 607243136 /nfs/dbraw/zinc/24/31/36/607243136.db2.gz KXMIEOYMPYJNBW-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000823313881 607243137 /nfs/dbraw/zinc/24/31/37/607243137.db2.gz KXMIEOYMPYJNBW-QWRGUYRKSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cncc(-c2ccccc2)c1 ZINC000823318706 607243175 /nfs/dbraw/zinc/24/31/75/607243175.db2.gz IJHFBNBSCDOALY-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cncc(-c2ccccc2)c1 ZINC000823318706 607243176 /nfs/dbraw/zinc/24/31/76/607243176.db2.gz IJHFBNBSCDOALY-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820534636 607244265 /nfs/dbraw/zinc/24/42/65/607244265.db2.gz LYZGAVQYKKPFKC-QMMMGPOBSA-N -1 3 397.193 3.686 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820534636 607244266 /nfs/dbraw/zinc/24/42/66/607244266.db2.gz LYZGAVQYKKPFKC-QMMMGPOBSA-N -1 3 397.193 3.686 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823451573 607244907 /nfs/dbraw/zinc/24/49/07/607244907.db2.gz WHDPZMWEMOUTAI-UHFFFAOYSA-N -1 3 392.312 3.662 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823451573 607244908 /nfs/dbraw/zinc/24/49/08/607244908.db2.gz WHDPZMWEMOUTAI-UHFFFAOYSA-N -1 3 392.312 3.662 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820533558 607248697 /nfs/dbraw/zinc/24/86/97/607248697.db2.gz FVGHUKLNNIGNDH-MRVPVSSYSA-N -1 3 397.193 3.686 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820533558 607248698 /nfs/dbraw/zinc/24/86/98/607248698.db2.gz FVGHUKLNNIGNDH-MRVPVSSYSA-N -1 3 397.193 3.686 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825127830 607783892 /nfs/dbraw/zinc/78/38/92/607783892.db2.gz OSMTUHMVZSADDH-CYBMUJFWSA-N -1 3 384.534 3.724 20 0 GHADHM CC[C@H](CSc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825127830 607783893 /nfs/dbraw/zinc/78/38/93/607783893.db2.gz OSMTUHMVZSADDH-CYBMUJFWSA-N -1 3 384.534 3.724 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826326219 607785128 /nfs/dbraw/zinc/78/51/28/607785128.db2.gz GTEOAIKEMGHVNF-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM Cc1nc(Cl)ccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826326219 607785129 /nfs/dbraw/zinc/78/51/29/607785129.db2.gz GTEOAIKEMGHVNF-UHFFFAOYSA-N -1 3 394.822 3.664 20 0 GHADHM CC1(C)C[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824795945 607793822 /nfs/dbraw/zinc/79/38/22/607793822.db2.gz JMIBXINQFXNGHL-GOSISDBHSA-N -1 3 379.439 3.581 20 0 GHADHM CC1(C)C[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824795945 607793823 /nfs/dbraw/zinc/79/38/23/607793823.db2.gz JMIBXINQFXNGHL-GOSISDBHSA-N -1 3 379.439 3.581 20 0 GHADHM CCN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379216 607797421 /nfs/dbraw/zinc/79/74/21/607797421.db2.gz CSXVITNEMBMXKQ-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CCN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379216 607797422 /nfs/dbraw/zinc/79/74/22/607797422.db2.gz CSXVITNEMBMXKQ-UHFFFAOYSA-N -1 3 386.415 3.721 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825159650 607798713 /nfs/dbraw/zinc/79/87/13/607798713.db2.gz RJMXHPVGTZFVGN-INIZCTEOSA-N -1 3 385.855 3.731 20 0 GHADHM CC[C@H](Oc1ccccc1Cl)C(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825159650 607798714 /nfs/dbraw/zinc/79/87/14/607798714.db2.gz RJMXHPVGTZFVGN-INIZCTEOSA-N -1 3 385.855 3.731 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2OCC1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000826462849 607802707 /nfs/dbraw/zinc/80/27/07/607802707.db2.gz KWPMTRJRRMPHTI-INIZCTEOSA-N -1 3 382.445 3.561 20 0 GHADHM O=C(O[C@H]1CCc2c1cccc2OCC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000826462849 607802708 /nfs/dbraw/zinc/80/27/08/607802708.db2.gz KWPMTRJRRMPHTI-INIZCTEOSA-N -1 3 382.445 3.561 20 0 GHADHM CCOC(=O)C(=Cc1cccc(-c2nnn[n-]2)c1)c1nc(C(C)C)c(C)s1 ZINC000825484898 607812952 /nfs/dbraw/zinc/81/29/52/607812952.db2.gz BPDAEJAYVOMBFR-XNTDXEJSSA-N -1 3 383.477 3.859 20 0 GHADHM CCOC(=O)C(=Cc1cccc(-c2nn[n-]n2)c1)c1nc(C(C)C)c(C)s1 ZINC000825484898 607812953 /nfs/dbraw/zinc/81/29/53/607812953.db2.gz BPDAEJAYVOMBFR-XNTDXEJSSA-N -1 3 383.477 3.859 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826452235 607817979 /nfs/dbraw/zinc/81/79/79/607817979.db2.gz LWYYSMOFWWZRPQ-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826452235 607817980 /nfs/dbraw/zinc/81/79/80/607817980.db2.gz LWYYSMOFWWZRPQ-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1Cl ZINC000826296327 607854729 /nfs/dbraw/zinc/85/47/29/607854729.db2.gz RUOZHZBVOLHLKZ-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1Cl ZINC000826296327 607854730 /nfs/dbraw/zinc/85/47/30/607854730.db2.gz RUOZHZBVOLHLKZ-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM O[C@@H](COc1ccc(Sc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505156 607875960 /nfs/dbraw/zinc/87/59/60/607875960.db2.gz OBKTYYPOCJJYPT-IBGZPJMESA-N -1 3 391.456 3.525 20 0 GHADHM O[C@@H](COc1ccc(Sc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505156 607875961 /nfs/dbraw/zinc/87/59/61/607875961.db2.gz OBKTYYPOCJJYPT-IBGZPJMESA-N -1 3 391.456 3.525 20 0 GHADHM CCN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385356 607879202 /nfs/dbraw/zinc/87/92/02/607879202.db2.gz DAMSILLQGPGPLS-UHFFFAOYSA-N -1 3 390.900 3.941 20 0 GHADHM CCN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385356 607879203 /nfs/dbraw/zinc/87/92/03/607879203.db2.gz DAMSILLQGPGPLS-UHFFFAOYSA-N -1 3 390.900 3.941 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824456937 607881042 /nfs/dbraw/zinc/88/10/42/607881042.db2.gz BDNZQXDYSJBTRS-AWEZNQCLSA-N -1 3 395.894 3.890 20 0 GHADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824456937 607881043 /nfs/dbraw/zinc/88/10/43/607881043.db2.gz BDNZQXDYSJBTRS-AWEZNQCLSA-N -1 3 395.894 3.890 20 0 GHADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2cccs2)CCCCC1 ZINC000826426466 607950620 /nfs/dbraw/zinc/95/06/20/607950620.db2.gz NNOVHLZSZARNMC-UHFFFAOYSA-N -1 3 379.489 3.719 20 0 GHADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2cccs2)CCCCC1 ZINC000826426466 607950621 /nfs/dbraw/zinc/95/06/21/607950621.db2.gz NNOVHLZSZARNMC-UHFFFAOYSA-N -1 3 379.489 3.719 20 0 GHADHM O=C(c1ccccc1Cc1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474382 607954719 /nfs/dbraw/zinc/95/47/19/607954719.db2.gz NIHMWVGYZJJCFN-UHFFFAOYSA-N -1 3 381.439 3.660 20 0 GHADHM O=C(c1ccccc1Cc1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474382 607954720 /nfs/dbraw/zinc/95/47/20/607954720.db2.gz NIHMWVGYZJJCFN-UHFFFAOYSA-N -1 3 381.439 3.660 20 0 GHADHM CCc1c(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1CC(C)C ZINC000825693959 607960947 /nfs/dbraw/zinc/96/09/47/607960947.db2.gz IJRZBXZNGIOBGO-UHFFFAOYSA-N -1 3 388.863 3.579 20 0 GHADHM CCc1c(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1CC(C)C ZINC000825693959 607960948 /nfs/dbraw/zinc/96/09/48/607960948.db2.gz IJRZBXZNGIOBGO-UHFFFAOYSA-N -1 3 388.863 3.579 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccccc1OCc1cccnc1 ZINC000825782559 607975762 /nfs/dbraw/zinc/97/57/62/607975762.db2.gz HBJDKIXWTGUJRA-UHFFFAOYSA-N -1 3 397.442 3.877 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccccc1OCc1cccnc1 ZINC000825782559 607975763 /nfs/dbraw/zinc/97/57/63/607975763.db2.gz HBJDKIXWTGUJRA-UHFFFAOYSA-N -1 3 397.442 3.877 20 0 GHADHM CCc1ccc(NC(=O)[C@@H](C)SCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825712678 607984166 /nfs/dbraw/zinc/98/41/66/607984166.db2.gz UWHVFSQRGIXLDT-CYBMUJFWSA-N -1 3 397.504 3.698 20 0 GHADHM CCc1ccc(NC(=O)[C@@H](C)SCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825712678 607984167 /nfs/dbraw/zinc/98/41/67/607984167.db2.gz UWHVFSQRGIXLDT-CYBMUJFWSA-N -1 3 397.504 3.698 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1-c1nnn[n-]1 ZINC000826207203 607984184 /nfs/dbraw/zinc/98/41/84/607984184.db2.gz FAHICUVOMOEXJF-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM COc1ccc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000826207203 607984185 /nfs/dbraw/zinc/98/41/85/607984185.db2.gz FAHICUVOMOEXJF-AWEZNQCLSA-N -1 3 397.504 3.753 20 0 GHADHM O=C(CCc1ccncc1)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826409425 607993316 /nfs/dbraw/zinc/99/33/16/607993316.db2.gz YGUKVKGVCKALIM-UHFFFAOYSA-N -1 3 387.399 3.592 20 0 GHADHM O=C(CCc1ccncc1)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826409425 607993317 /nfs/dbraw/zinc/99/33/17/607993317.db2.gz YGUKVKGVCKALIM-UHFFFAOYSA-N -1 3 387.399 3.592 20 0 GHADHM CC1(C)CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc21 ZINC000824806760 608006187 /nfs/dbraw/zinc/00/61/87/608006187.db2.gz AJKDJCDKZKZGMW-UHFFFAOYSA-N -1 3 382.855 3.845 20 0 GHADHM CC1(C)CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc21 ZINC000824806760 608006188 /nfs/dbraw/zinc/00/61/88/608006188.db2.gz AJKDJCDKZKZGMW-UHFFFAOYSA-N -1 3 382.855 3.845 20 0 GHADHM C[C@@H](S[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824754055 608016071 /nfs/dbraw/zinc/01/60/71/608016071.db2.gz HPVLERSNNBRGIQ-BEFAXECRSA-N -1 3 393.516 3.852 20 0 GHADHM C[C@@H](S[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824754055 608016072 /nfs/dbraw/zinc/01/60/72/608016072.db2.gz HPVLERSNNBRGIQ-BEFAXECRSA-N -1 3 393.516 3.852 20 0 GHADHM O=C(c1scnc1C1CC1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826475258 608025357 /nfs/dbraw/zinc/02/53/57/608025357.db2.gz AHXUVJGBCZCVAQ-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM O=C(c1scnc1C1CC1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000826475258 608025358 /nfs/dbraw/zinc/02/53/58/608025358.db2.gz AHXUVJGBCZCVAQ-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1nc2ccccc2[nH]1 ZINC000824650979 608048720 /nfs/dbraw/zinc/04/87/20/608048720.db2.gz WOWMQNHGGNIPQD-VIFPVBQESA-N -1 3 384.241 3.679 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1Br)CCO2 ZINC000826375956 608050306 /nfs/dbraw/zinc/05/03/06/608050306.db2.gz IUPUUEIKCWFWLU-ZDUSSCGKSA-N -1 3 390.216 3.704 20 0 GHADHM O=C(CCCc1cc(F)ccc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826406723 608053300 /nfs/dbraw/zinc/05/33/00/608053300.db2.gz KBFBTBHMQBTENJ-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(CCCc1cc(F)ccc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826406723 608053301 /nfs/dbraw/zinc/05/33/01/608053301.db2.gz KBFBTBHMQBTENJ-UHFFFAOYSA-N -1 3 397.429 3.659 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2cc1OC(F)F ZINC000826442862 608053421 /nfs/dbraw/zinc/05/34/21/608053421.db2.gz NHAVMCLNIQDMTI-UHFFFAOYSA-N -1 3 395.369 3.551 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2cc1OC(F)F ZINC000826442862 608053422 /nfs/dbraw/zinc/05/34/22/608053422.db2.gz NHAVMCLNIQDMTI-UHFFFAOYSA-N -1 3 395.369 3.551 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825159076 608067293 /nfs/dbraw/zinc/06/72/93/608067293.db2.gz IKVQZNIQAQJTJO-RBUKOAKNSA-N -1 3 385.418 3.670 20 0 GHADHM CC[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825159076 608067294 /nfs/dbraw/zinc/06/72/94/608067294.db2.gz IKVQZNIQAQJTJO-RBUKOAKNSA-N -1 3 385.418 3.670 20 0 GHADHM CCC(CC)[C@H](C)C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000825095126 608071746 /nfs/dbraw/zinc/07/17/46/608071746.db2.gz DKOHZWRSSXOZJN-VIFPVBQESA-N -1 3 397.273 3.616 20 0 GHADHM CCC(CC)[C@H](C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000825095126 608071745 /nfs/dbraw/zinc/07/17/45/608071745.db2.gz DKOHZWRSSXOZJN-VIFPVBQESA-N -1 3 397.273 3.616 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)sc21 ZINC000826356543 608078373 /nfs/dbraw/zinc/07/83/73/608078373.db2.gz VUNCEOSTALNELT-UHFFFAOYSA-N -1 3 389.440 3.930 20 0 GHADHM Cn1c2ccccc2c2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)sc21 ZINC000826356543 608078374 /nfs/dbraw/zinc/07/83/74/608078374.db2.gz VUNCEOSTALNELT-UHFFFAOYSA-N -1 3 389.440 3.930 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826473636 608130722 /nfs/dbraw/zinc/13/07/22/608130722.db2.gz HGZFZEHVPJGCFS-OAHLLOKOSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000826473636 608130723 /nfs/dbraw/zinc/13/07/23/608130723.db2.gz HGZFZEHVPJGCFS-OAHLLOKOSA-N -1 3 387.365 3.515 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077633 608149286 /nfs/dbraw/zinc/14/92/86/608149286.db2.gz CDBOQVFLWBNPQZ-IAQYHMDHSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)(C)[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000824077633 608149287 /nfs/dbraw/zinc/14/92/87/608149287.db2.gz CDBOQVFLWBNPQZ-IAQYHMDHSA-N -1 3 388.422 3.699 20 0 GHADHM CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)no1 ZINC000824342172 608152740 /nfs/dbraw/zinc/15/27/40/608152740.db2.gz MADIKJVYHFKCST-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)no1 ZINC000824342172 608152741 /nfs/dbraw/zinc/15/27/41/608152741.db2.gz MADIKJVYHFKCST-UHFFFAOYSA-N -1 3 388.431 3.825 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825399357 608153332 /nfs/dbraw/zinc/15/33/32/608153332.db2.gz QYLBKBSAPRXKNZ-UHFFFAOYSA-N -1 3 375.354 3.558 20 0 GHADHM CCN(CC(F)(F)F)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825399357 608153333 /nfs/dbraw/zinc/15/33/33/608153333.db2.gz QYLBKBSAPRXKNZ-UHFFFAOYSA-N -1 3 375.354 3.558 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722608 608183454 /nfs/dbraw/zinc/18/34/54/608183454.db2.gz JQLJTMKXRGZISS-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccccc1Oc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722608 608183456 /nfs/dbraw/zinc/18/34/56/608183456.db2.gz JQLJTMKXRGZISS-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM CC(C)(c1ccccc1)[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC000824178488 608199287 /nfs/dbraw/zinc/19/92/87/608199287.db2.gz UTGRGLOSENHLJH-HNNXBMFYSA-N -1 3 396.394 3.994 20 0 GHADHM CC(C)(c1ccccc1)[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC000824178488 608199289 /nfs/dbraw/zinc/19/92/89/608199289.db2.gz UTGRGLOSENHLJH-HNNXBMFYSA-N -1 3 396.394 3.994 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)NCc1cccc(Cl)c1 ZINC000826420996 608208381 /nfs/dbraw/zinc/20/83/81/608208381.db2.gz MQQZWRXCWIIEDS-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)NCc1cccc(Cl)c1 ZINC000826420996 608208383 /nfs/dbraw/zinc/20/83/83/608208383.db2.gz MQQZWRXCWIIEDS-UHFFFAOYSA-N -1 3 394.287 3.582 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2cc(-c4nnn[n-]4)ccc2n1)CC3 ZINC000826293134 608221941 /nfs/dbraw/zinc/22/19/41/608221941.db2.gz CBFFOBXSALIXEL-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2cc(-c4nn[n-]n4)ccc2n1)CC3 ZINC000826293134 608221942 /nfs/dbraw/zinc/22/19/42/608221942.db2.gz CBFFOBXSALIXEL-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1ccc(-c2nc(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)co2)cc1 ZINC000826273464 608230711 /nfs/dbraw/zinc/23/07/11/608230711.db2.gz FUUJLJIXTALJLS-UHFFFAOYSA-N -1 3 383.415 3.990 20 0 GHADHM Cc1ccc(-c2nc(CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)co2)cc1 ZINC000826273464 608230713 /nfs/dbraw/zinc/23/07/13/608230713.db2.gz FUUJLJIXTALJLS-UHFFFAOYSA-N -1 3 383.415 3.990 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825191337 608246042 /nfs/dbraw/zinc/24/60/42/608246042.db2.gz ACJVVCFDIOSEKI-CRAIPNDOSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825191337 608246044 /nfs/dbraw/zinc/24/60/44/608246044.db2.gz ACJVVCFDIOSEKI-CRAIPNDOSA-N -1 3 391.475 3.849 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000826274011 608286571 /nfs/dbraw/zinc/28/65/71/608286571.db2.gz DHOBDNGZHNWSEN-UHFFFAOYSA-N -1 3 377.427 3.575 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000826274011 608286573 /nfs/dbraw/zinc/28/65/73/608286573.db2.gz DHOBDNGZHNWSEN-UHFFFAOYSA-N -1 3 377.427 3.575 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826226366 608294083 /nfs/dbraw/zinc/29/40/83/608294083.db2.gz YGFMEIIWAMUKED-CQSZACIVSA-N -1 3 397.504 3.916 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826226366 608294086 /nfs/dbraw/zinc/29/40/86/608294086.db2.gz YGFMEIIWAMUKED-CQSZACIVSA-N -1 3 397.504 3.916 20 0 GHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826263915 608298113 /nfs/dbraw/zinc/29/81/13/608298113.db2.gz VVHDEJGBSSUJKP-DLBZAZTESA-N -1 3 392.507 3.675 20 0 GHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000826263915 608298114 /nfs/dbraw/zinc/29/81/14/608298114.db2.gz VVHDEJGBSSUJKP-DLBZAZTESA-N -1 3 392.507 3.675 20 0 GHADHM CS[C@H](C)CCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826226081 608301203 /nfs/dbraw/zinc/30/12/03/608301203.db2.gz ROZUXIFCMDTWKP-GFCCVEGCSA-N -1 3 387.534 3.743 20 0 GHADHM Fc1ccc2c(c1)CCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826376071 608306995 /nfs/dbraw/zinc/30/69/95/608306995.db2.gz NKUODZWDHSTRFX-CYBMUJFWSA-N -1 3 378.333 3.909 20 0 GHADHM Fc1ccc2c(c1)CCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826376071 608306997 /nfs/dbraw/zinc/30/69/97/608306997.db2.gz NKUODZWDHSTRFX-CYBMUJFWSA-N -1 3 378.333 3.909 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C(C)C ZINC000824284021 608310714 /nfs/dbraw/zinc/31/07/14/608310714.db2.gz AGQONCLXSQBZNX-UHFFFAOYSA-N -1 3 396.499 3.507 20 0 GHADHM CC(C)Cn1ncc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C(C)C ZINC000824284021 608310716 /nfs/dbraw/zinc/31/07/16/608310716.db2.gz AGQONCLXSQBZNX-UHFFFAOYSA-N -1 3 396.499 3.507 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C[C@H]1C ZINC000824955917 608313144 /nfs/dbraw/zinc/31/31/44/608313144.db2.gz PHPGNALDGYQNGH-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C[C@H]1C ZINC000824955917 608313146 /nfs/dbraw/zinc/31/31/46/608313146.db2.gz PHPGNALDGYQNGH-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1scc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1C ZINC000826350368 608319146 /nfs/dbraw/zinc/31/91/46/608319146.db2.gz SQZSODMUOKONBD-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM Cc1scc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1C ZINC000826350368 608319147 /nfs/dbraw/zinc/31/91/47/608319147.db2.gz SQZSODMUOKONBD-UHFFFAOYSA-N -1 3 382.474 3.921 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824119432 608325034 /nfs/dbraw/zinc/32/50/34/608325034.db2.gz IQSNUQIYBICOJM-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM CC(C)(C)OCc1ccccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824119432 608325036 /nfs/dbraw/zinc/32/50/36/608325036.db2.gz IQSNUQIYBICOJM-UHFFFAOYSA-N -1 3 384.411 3.678 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccncc1CC ZINC000825317829 608331309 /nfs/dbraw/zinc/33/13/09/608331309.db2.gz DDPNZHMZGSGKJD-OAHLLOKOSA-N -1 3 393.495 3.507 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccncc1CC ZINC000825317829 608331311 /nfs/dbraw/zinc/33/13/11/608331311.db2.gz DDPNZHMZGSGKJD-OAHLLOKOSA-N -1 3 393.495 3.507 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825152526 608342932 /nfs/dbraw/zinc/34/29/32/608342932.db2.gz AXIDFKCGARGQHU-MRXNPFEDSA-N -1 3 377.876 3.611 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825152526 608342934 /nfs/dbraw/zinc/34/29/34/608342934.db2.gz AXIDFKCGARGQHU-MRXNPFEDSA-N -1 3 377.876 3.611 20 0 GHADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361698 608343049 /nfs/dbraw/zinc/34/30/49/608343049.db2.gz HJDQNQOQGMINII-JTQLQIEISA-N -1 3 391.809 3.955 20 0 GHADHM CCN(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361698 608343051 /nfs/dbraw/zinc/34/30/51/608343051.db2.gz HJDQNQOQGMINII-JTQLQIEISA-N -1 3 391.809 3.955 20 0 GHADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825362801 608343293 /nfs/dbraw/zinc/34/32/93/608343293.db2.gz RHHYONYHCLMVMN-AWEZNQCLSA-N -1 3 399.882 3.978 20 0 GHADHM CCN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825362801 608343294 /nfs/dbraw/zinc/34/32/94/608343294.db2.gz RHHYONYHCLMVMN-AWEZNQCLSA-N -1 3 399.882 3.978 20 0 GHADHM CCN(C(=O)CCc1ccccc1OC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372234 608345074 /nfs/dbraw/zinc/34/50/74/608345074.db2.gz TWZUEGNPVGEOCH-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCN(C(=O)CCc1ccccc1OC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372234 608345076 /nfs/dbraw/zinc/34/50/76/608345076.db2.gz TWZUEGNPVGEOCH-UHFFFAOYSA-N -1 3 385.855 3.514 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367057 608345115 /nfs/dbraw/zinc/34/51/15/608345115.db2.gz IOANXKOWDMAFCA-DLBZAZTESA-N -1 3 397.866 3.685 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367057 608345117 /nfs/dbraw/zinc/34/51/17/608345117.db2.gz IOANXKOWDMAFCA-DLBZAZTESA-N -1 3 397.866 3.685 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCC1 ZINC000824499564 608352949 /nfs/dbraw/zinc/35/29/49/608352949.db2.gz PQMJHGFQZLWSME-AWEZNQCLSA-N -1 3 376.464 3.522 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCC1 ZINC000824499564 608352951 /nfs/dbraw/zinc/35/29/51/608352951.db2.gz PQMJHGFQZLWSME-AWEZNQCLSA-N -1 3 376.464 3.522 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000826167806 608370333 /nfs/dbraw/zinc/37/03/33/608370333.db2.gz RPAGKDNFGUWSNG-GFCCVEGCSA-N -1 3 380.477 3.678 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000826167806 608370335 /nfs/dbraw/zinc/37/03/35/608370335.db2.gz RPAGKDNFGUWSNG-GFCCVEGCSA-N -1 3 380.477 3.678 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2ccccc2)c[nH]1 ZINC000823827188 608374869 /nfs/dbraw/zinc/37/48/69/608374869.db2.gz WPJRUYNDAXKTPY-UHFFFAOYSA-N -1 3 396.252 3.631 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)c1cccc(F)c1F ZINC000824507055 608385014 /nfs/dbraw/zinc/38/50/14/608385014.db2.gz SLOFUWXMUIYUCF-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1F ZINC000824507055 608385016 /nfs/dbraw/zinc/38/50/16/608385016.db2.gz SLOFUWXMUIYUCF-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM CSc1ccc(Cl)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826230600 608436683 /nfs/dbraw/zinc/43/66/83/608436683.db2.gz AWSKWPATPAXDTJ-UHFFFAOYSA-N -1 3 378.816 3.738 20 0 GHADHM CSc1ccc(Cl)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826230600 608436684 /nfs/dbraw/zinc/43/66/84/608436684.db2.gz AWSKWPATPAXDTJ-UHFFFAOYSA-N -1 3 378.816 3.738 20 0 GHADHM CCc1nc2sccc2c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825749726 608443447 /nfs/dbraw/zinc/44/34/47/608443447.db2.gz GXZBSTSGSFNJAP-UHFFFAOYSA-N -1 3 389.488 3.728 20 0 GHADHM CCc1nc2sccc2c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825749726 608443448 /nfs/dbraw/zinc/44/34/48/608443448.db2.gz GXZBSTSGSFNJAP-UHFFFAOYSA-N -1 3 389.488 3.728 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824448089 608453078 /nfs/dbraw/zinc/45/30/78/608453078.db2.gz FPDPQYQQBMOWAR-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824448089 608453080 /nfs/dbraw/zinc/45/30/80/608453080.db2.gz FPDPQYQQBMOWAR-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sc(C2CCCCC2)nc1C ZINC000826186418 608459959 /nfs/dbraw/zinc/45/99/59/608459959.db2.gz RKHBRWODYUTKFO-UHFFFAOYSA-N -1 3 398.492 3.940 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C2CCCCC2)nc1C ZINC000826186418 608459961 /nfs/dbraw/zinc/45/99/61/608459961.db2.gz RKHBRWODYUTKFO-UHFFFAOYSA-N -1 3 398.492 3.940 20 0 GHADHM C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626397 608462506 /nfs/dbraw/zinc/46/25/06/608462506.db2.gz NPBOFCAYRGRQJS-NSHDSACASA-N -1 3 382.374 3.651 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826305428 608464767 /nfs/dbraw/zinc/46/47/67/608464767.db2.gz WLFMCEOARZUREJ-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826305428 608464769 /nfs/dbraw/zinc/46/47/69/608464769.db2.gz WLFMCEOARZUREJ-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000826291119 608469387 /nfs/dbraw/zinc/46/93/87/608469387.db2.gz QAAKHPDVCIVRKQ-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826291119 608469388 /nfs/dbraw/zinc/46/93/88/608469388.db2.gz QAAKHPDVCIVRKQ-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1[nH]c2c(cccc2C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826232925 608480423 /nfs/dbraw/zinc/48/04/23/608480423.db2.gz NHOVUDRHBFTBQN-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Cc1[nH]c2c(cccc2C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C ZINC000826232925 608480425 /nfs/dbraw/zinc/48/04/25/608480425.db2.gz NHOVUDRHBFTBQN-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM COc1ccccc1-c1nc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826218117 608487844 /nfs/dbraw/zinc/48/78/44/608487844.db2.gz PPXQHUUUTGFTNC-ZDUSSCGKSA-N -1 3 392.488 3.850 20 0 GHADHM Cc1oc(-c2ccsc2)nc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826340622 608528201 /nfs/dbraw/zinc/52/82/01/608528201.db2.gz FKKZAMARKAIMGH-UHFFFAOYSA-N -1 3 378.461 3.671 20 0 GHADHM COC[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cccc(C(F)(F)F)c1 ZINC000826150598 608535395 /nfs/dbraw/zinc/53/53/95/608535395.db2.gz HWYVYMJKUJZVQU-HNNXBMFYSA-N -1 3 395.360 3.502 20 0 GHADHM COC[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1cccc(C(F)(F)F)c1 ZINC000826150598 608535397 /nfs/dbraw/zinc/53/53/97/608535397.db2.gz HWYVYMJKUJZVQU-HNNXBMFYSA-N -1 3 395.360 3.502 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc(Cl)ccc1Cl ZINC000826460265 608572863 /nfs/dbraw/zinc/57/28/63/608572863.db2.gz VADXLTPCMYYAQO-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc(Cl)ccc1Cl ZINC000826460265 608572865 /nfs/dbraw/zinc/57/28/65/608572865.db2.gz VADXLTPCMYYAQO-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826453659 608573972 /nfs/dbraw/zinc/57/39/72/608573972.db2.gz UQTHFPSVEZITLZ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826453659 608573973 /nfs/dbraw/zinc/57/39/73/608573973.db2.gz UQTHFPSVEZITLZ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826452859 608592415 /nfs/dbraw/zinc/59/24/15/608592415.db2.gz LVZPLUUUUWXZPC-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826452859 608592416 /nfs/dbraw/zinc/59/24/16/608592416.db2.gz LVZPLUUUUWXZPC-UHFFFAOYSA-N -1 3 387.428 3.519 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824371484 608696562 /nfs/dbraw/zinc/69/65/62/608696562.db2.gz HRILHRBKGVDOJZ-KRWDZBQOSA-N -1 3 377.452 3.727 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824371484 608696563 /nfs/dbraw/zinc/69/65/63/608696563.db2.gz HRILHRBKGVDOJZ-KRWDZBQOSA-N -1 3 377.452 3.727 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000824281109 608773008 /nfs/dbraw/zinc/77/30/08/608773008.db2.gz ZIYAAMCNCXQNSI-UHFFFAOYSA-N -1 3 390.491 3.560 20 0 GHADHM CC(C)Cc1ccc(C(=O)C2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000824281109 608773012 /nfs/dbraw/zinc/77/30/12/608773012.db2.gz ZIYAAMCNCXQNSI-UHFFFAOYSA-N -1 3 390.491 3.560 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826290932 608826103 /nfs/dbraw/zinc/82/61/03/608826103.db2.gz HQIDVAGUNLKPRV-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826290932 608826105 /nfs/dbraw/zinc/82/61/05/608826105.db2.gz HQIDVAGUNLKPRV-UHFFFAOYSA-N -1 3 395.419 3.741 20 0 GHADHM C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824537352 609137842 /nfs/dbraw/zinc/13/78/42/609137842.db2.gz DTBWTTHGPUTADK-PXAZEXFGSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824537352 609137843 /nfs/dbraw/zinc/13/78/43/609137843.db2.gz DTBWTTHGPUTADK-PXAZEXFGSA-N -1 3 380.452 3.903 20 0 GHADHM CC(C)n1cc2c(n1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CCC2 ZINC000824371902 609150060 /nfs/dbraw/zinc/15/00/60/609150060.db2.gz YBBJBXPCKIKWMN-GFCCVEGCSA-N -1 3 392.389 3.547 20 0 GHADHM CC(C)n1cc2c(n1)[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CCC2 ZINC000824371902 609150062 /nfs/dbraw/zinc/15/00/62/609150062.db2.gz YBBJBXPCKIKWMN-GFCCVEGCSA-N -1 3 392.389 3.547 20 0 GHADHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824606980 609151585 /nfs/dbraw/zinc/15/15/85/609151585.db2.gz UUBRQXWEOHYGGN-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824606980 609151586 /nfs/dbraw/zinc/15/15/86/609151586.db2.gz UUBRQXWEOHYGGN-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000825074849 609162705 /nfs/dbraw/zinc/16/27/05/609162705.db2.gz KHBZIFMOIWBIRO-GJZGRUSLSA-N -1 3 394.479 3.662 20 0 GHADHM CC[C@H](C)Oc1cc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825074849 609162707 /nfs/dbraw/zinc/16/27/07/609162707.db2.gz KHBZIFMOIWBIRO-GJZGRUSLSA-N -1 3 394.479 3.662 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826233737 609166631 /nfs/dbraw/zinc/16/66/31/609166631.db2.gz UFZVWMUMYFNBLL-UHFFFAOYSA-N -1 3 392.385 3.945 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826233737 609166632 /nfs/dbraw/zinc/16/66/32/609166632.db2.gz UFZVWMUMYFNBLL-UHFFFAOYSA-N -1 3 392.385 3.945 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000826234420 609168671 /nfs/dbraw/zinc/16/86/71/609168671.db2.gz VPGUMKGLPOZRFH-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826234420 609168672 /nfs/dbraw/zinc/16/86/72/609168672.db2.gz VPGUMKGLPOZRFH-UHFFFAOYSA-N -1 3 394.385 3.805 20 0 GHADHM O=C(CSCc1ccc(CF)cc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826420740 609185796 /nfs/dbraw/zinc/18/57/96/609185796.db2.gz ZRTIRUWMAWPYBC-UHFFFAOYSA-N -1 3 391.859 3.862 20 0 GHADHM O=C(CSCc1ccc(CF)cc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826420740 609185797 /nfs/dbraw/zinc/18/57/97/609185797.db2.gz ZRTIRUWMAWPYBC-UHFFFAOYSA-N -1 3 391.859 3.862 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657214 609236371 /nfs/dbraw/zinc/23/63/71/609236371.db2.gz PSUCXFCGGODTBR-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657214 609236372 /nfs/dbraw/zinc/23/63/72/609236372.db2.gz PSUCXFCGGODTBR-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824657216 609237199 /nfs/dbraw/zinc/23/71/99/609237199.db2.gz PSUCXFCGGODTBR-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824657216 609237200 /nfs/dbraw/zinc/23/72/00/609237200.db2.gz PSUCXFCGGODTBR-DYVFJYSZSA-N -1 3 383.427 3.737 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1-c1ccc(C)cc1 ZINC000826281554 609237534 /nfs/dbraw/zinc/23/75/34/609237534.db2.gz YYSFPNROJJBZMJ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1-c1ccc(C)cc1 ZINC000826281554 609237535 /nfs/dbraw/zinc/23/75/35/609237535.db2.gz YYSFPNROJJBZMJ-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825148224 609242566 /nfs/dbraw/zinc/24/25/66/609242566.db2.gz OSQZIMQNQIOUEW-LJQANCHMSA-N -1 3 396.470 3.530 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825148224 609242567 /nfs/dbraw/zinc/24/25/67/609242567.db2.gz OSQZIMQNQIOUEW-LJQANCHMSA-N -1 3 396.470 3.530 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992209 609276330 /nfs/dbraw/zinc/27/63/30/609276330.db2.gz KRRCMIUIFQILDD-XHSDSOJGSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992209 609276331 /nfs/dbraw/zinc/27/63/31/609276331.db2.gz KRRCMIUIFQILDD-XHSDSOJGSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824992207 609276531 /nfs/dbraw/zinc/27/65/31/609276531.db2.gz KRRCMIUIFQILDD-OAGGEKHMSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824992207 609276533 /nfs/dbraw/zinc/27/65/33/609276533.db2.gz KRRCMIUIFQILDD-OAGGEKHMSA-N -1 3 378.480 3.653 20 0 GHADHM CSc1cc2c(cc1N[C@H]1CCCc3cc(-c4nnn[n-]4)ccc31)OCCO2 ZINC000826230055 609278558 /nfs/dbraw/zinc/27/85/58/609278558.db2.gz BQOTWVOJAYGEAC-HNNXBMFYSA-N -1 3 395.488 3.849 20 0 GHADHM CSc1cc2c(cc1N[C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCO2 ZINC000826230055 609278560 /nfs/dbraw/zinc/27/85/60/609278560.db2.gz BQOTWVOJAYGEAC-HNNXBMFYSA-N -1 3 395.488 3.849 20 0 GHADHM CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380765 609298255 /nfs/dbraw/zinc/29/82/55/609298255.db2.gz SRIYRDOALHPBBE-SNVBAGLBSA-N -1 3 391.262 3.792 20 0 GHADHM CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380765 609298257 /nfs/dbraw/zinc/29/82/57/609298257.db2.gz SRIYRDOALHPBBE-SNVBAGLBSA-N -1 3 391.262 3.792 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826209899 609302660 /nfs/dbraw/zinc/30/26/60/609302660.db2.gz VYFFBPRTLQDSFN-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826209899 609302661 /nfs/dbraw/zinc/30/26/61/609302661.db2.gz VYFFBPRTLQDSFN-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)cc1C ZINC000825081709 609303537 /nfs/dbraw/zinc/30/35/37/609303537.db2.gz MNSVEWCELKLBAN-GHMZBOCLSA-N -1 3 399.524 3.781 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1C ZINC000825081709 609303538 /nfs/dbraw/zinc/30/35/38/609303538.db2.gz MNSVEWCELKLBAN-GHMZBOCLSA-N -1 3 399.524 3.781 20 0 GHADHM Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826318968 609304488 /nfs/dbraw/zinc/30/44/88/609304488.db2.gz IROFIHWGXVJBOF-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826318968 609304490 /nfs/dbraw/zinc/30/44/90/609304490.db2.gz IROFIHWGXVJBOF-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825074069 609331971 /nfs/dbraw/zinc/33/19/71/609331971.db2.gz DVYLWMFOSKBISH-LLVKDONJSA-N -1 3 387.875 3.663 20 0 GHADHM CC[C@@H](C)n1nc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000825074069 609331973 /nfs/dbraw/zinc/33/19/73/609331973.db2.gz DVYLWMFOSKBISH-LLVKDONJSA-N -1 3 387.875 3.663 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000826210657 609348291 /nfs/dbraw/zinc/34/82/91/609348291.db2.gz ZOEUWTZRXJQBPK-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000826210657 609348293 /nfs/dbraw/zinc/34/82/93/609348293.db2.gz ZOEUWTZRXJQBPK-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000825621148 609349448 /nfs/dbraw/zinc/34/94/48/609349448.db2.gz NQDGZDDNMHKKSY-RYUDHWBXSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1F)O[C@@H](C)C2 ZINC000825621148 609349450 /nfs/dbraw/zinc/34/94/50/609349450.db2.gz NQDGZDDNMHKKSY-RYUDHWBXSA-N -1 3 383.427 3.901 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826408651 609350691 /nfs/dbraw/zinc/35/06/91/609350691.db2.gz PLYBOVJTKGPQJM-HXUWFJFHSA-N -1 3 375.476 3.847 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CCC1)c1ccccc1 ZINC000826408651 609350693 /nfs/dbraw/zinc/35/06/93/609350693.db2.gz PLYBOVJTKGPQJM-HXUWFJFHSA-N -1 3 375.476 3.847 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824723321 609351240 /nfs/dbraw/zinc/35/12/40/609351240.db2.gz PUBOGSLLSFPUBU-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824723321 609351243 /nfs/dbraw/zinc/35/12/43/609351243.db2.gz PUBOGSLLSFPUBU-CQSZACIVSA-N -1 3 387.399 3.972 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234987 609356443 /nfs/dbraw/zinc/35/64/43/609356443.db2.gz YBRHMEMTSRZILN-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCCCC1 ZINC000826234987 609356445 /nfs/dbraw/zinc/35/64/45/609356445.db2.gz YBRHMEMTSRZILN-CQSZACIVSA-N -1 3 380.452 3.795 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000824874085 609363458 /nfs/dbraw/zinc/36/34/58/609363458.db2.gz BEFPYQXYDRZIRD-GASCZTMLSA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000824874085 609363462 /nfs/dbraw/zinc/36/34/62/609363462.db2.gz BEFPYQXYDRZIRD-GASCZTMLSA-N -1 3 377.448 3.777 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)CCO1 ZINC000825183774 609370766 /nfs/dbraw/zinc/37/07/66/609370766.db2.gz PSPGDAAHRXSANS-JHJVBQTASA-N -1 3 389.525 3.587 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)CCO1 ZINC000825183774 609370768 /nfs/dbraw/zinc/37/07/68/609370768.db2.gz PSPGDAAHRXSANS-JHJVBQTASA-N -1 3 389.525 3.587 20 0 GHADHM CC1(C)CC[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000824795885 609376014 /nfs/dbraw/zinc/37/60/14/609376014.db2.gz HSNFDPOOERQSKC-AWEZNQCLSA-N -1 3 382.493 3.679 20 0 GHADHM CC1(C)CC[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000824795885 609376016 /nfs/dbraw/zinc/37/60/16/609376016.db2.gz HSNFDPOOERQSKC-AWEZNQCLSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000824976364 609385341 /nfs/dbraw/zinc/38/53/41/609385341.db2.gz OJIFBUSJTVDOCH-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000824976364 609385344 /nfs/dbraw/zinc/38/53/44/609385344.db2.gz OJIFBUSJTVDOCH-KBPBESRZSA-N -1 3 395.488 3.625 20 0 GHADHM Fc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c(F)c1 ZINC000826374517 609446611 /nfs/dbraw/zinc/44/66/11/609446611.db2.gz BXUGUSGPLMIIOT-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c(F)c1 ZINC000826374517 609446614 /nfs/dbraw/zinc/44/66/14/609446614.db2.gz BXUGUSGPLMIIOT-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Cc1nnc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826335524 609451583 /nfs/dbraw/zinc/45/15/83/609451583.db2.gz QJECELZAOVWIEZ-OLZOCXBDSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1nnc([C@H](C)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826335524 609451585 /nfs/dbraw/zinc/45/15/85/609451585.db2.gz QJECELZAOVWIEZ-OLZOCXBDSA-N -1 3 375.436 3.637 20 0 GHADHM Fc1cc(NCc2cccnc2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372872 609484276 /nfs/dbraw/zinc/48/42/76/609484276.db2.gz OVLWQTJSFARRLG-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1cc(NCc2cccnc2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372872 609484278 /nfs/dbraw/zinc/48/42/78/609484278.db2.gz OVLWQTJSFARRLG-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C\c2ccccc2OC)cc1-c1nnn[n-]1 ZINC000825553913 609488852 /nfs/dbraw/zinc/48/88/52/609488852.db2.gz ZHIVOIIDYHEREU-VURMDHGXSA-N -1 3 394.435 3.569 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C\c2ccccc2OC)cc1-c1nn[n-]n1 ZINC000825553913 609488853 /nfs/dbraw/zinc/48/88/53/609488853.db2.gz ZHIVOIIDYHEREU-VURMDHGXSA-N -1 3 394.435 3.569 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@H]3C[C@@H]3C)o2)cc1-c1nnn[n-]1 ZINC000825552568 609489962 /nfs/dbraw/zinc/48/99/62/609489962.db2.gz AGIREHZGSNJFPN-FZMZJTMJSA-N -1 3 382.424 3.764 20 0 GHADHM CCOC(=O)Nc1ccc(NCc2ccc([C@H]3C[C@@H]3C)o2)cc1-c1nn[n-]n1 ZINC000825552568 609489965 /nfs/dbraw/zinc/48/99/65/609489965.db2.gz AGIREHZGSNJFPN-FZMZJTMJSA-N -1 3 382.424 3.764 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000825625657 609495480 /nfs/dbraw/zinc/49/54/80/609495480.db2.gz AQKRXVCDAOCRRF-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000825625657 609495482 /nfs/dbraw/zinc/49/54/82/609495482.db2.gz AQKRXVCDAOCRRF-UHFFFAOYSA-N -1 3 375.388 3.778 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(SC(F)(F)F)cc1 ZINC000824722679 609512945 /nfs/dbraw/zinc/51/29/45/609512945.db2.gz KCSMYJFAHDVZGB-VIFPVBQESA-N -1 3 395.366 3.792 20 0 GHADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(SC(F)(F)F)cc1 ZINC000824722679 609512947 /nfs/dbraw/zinc/51/29/47/609512947.db2.gz KCSMYJFAHDVZGB-VIFPVBQESA-N -1 3 395.366 3.792 20 0 GHADHM COc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1Br ZINC000826189304 609523944 /nfs/dbraw/zinc/52/39/44/609523944.db2.gz SMIJKFJQPYTFGA-JTQLQIEISA-N -1 3 389.257 3.514 20 0 GHADHM COc1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1Br ZINC000826189304 609523945 /nfs/dbraw/zinc/52/39/45/609523945.db2.gz SMIJKFJQPYTFGA-JTQLQIEISA-N -1 3 389.257 3.514 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1OC ZINC000826178203 609534508 /nfs/dbraw/zinc/53/45/08/609534508.db2.gz NTRFTOCUUAXHAQ-LLVKDONJSA-N -1 3 388.859 3.722 20 0 GHADHM COc1cc(C)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1OC ZINC000826178203 609534509 /nfs/dbraw/zinc/53/45/09/609534509.db2.gz NTRFTOCUUAXHAQ-LLVKDONJSA-N -1 3 388.859 3.722 20 0 GHADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826283246 609534683 /nfs/dbraw/zinc/53/46/83/609534683.db2.gz NFWBTTSWDLXFJR-UHFFFAOYSA-N -1 3 392.868 3.720 20 0 GHADHM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826283246 609534684 /nfs/dbraw/zinc/53/46/84/609534684.db2.gz NFWBTTSWDLXFJR-UHFFFAOYSA-N -1 3 392.868 3.720 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826239625 609539522 /nfs/dbraw/zinc/53/95/22/609539522.db2.gz LZVZDAKTPUWVJJ-RHSMWYFYSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826239625 609539524 /nfs/dbraw/zinc/53/95/24/609539524.db2.gz LZVZDAKTPUWVJJ-RHSMWYFYSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(OC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826237653 609542063 /nfs/dbraw/zinc/54/20/63/609542063.db2.gz HQKMVPUKUNMCGP-UHFFFAOYSA-N -1 3 376.892 3.542 20 0 GHADHM Cc1c(Cl)cnc(N2CCC(OC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826237653 609542065 /nfs/dbraw/zinc/54/20/65/609542065.db2.gz HQKMVPUKUNMCGP-UHFFFAOYSA-N -1 3 376.892 3.542 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1-c1nn[n-]n1 ZINC000826238910 609551506 /nfs/dbraw/zinc/55/15/06/609551506.db2.gz SJNOAPZYRDNPJG-QMMMGPOBSA-N -1 3 389.250 3.926 20 0 GHADHM C[C@@H]1C[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824866550 609562099 /nfs/dbraw/zinc/56/20/99/609562099.db2.gz MIAYUEGDYNIPKM-WBVHZDCISA-N -1 3 397.523 3.699 20 0 GHADHM C[C@@H]1C[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824866550 609562102 /nfs/dbraw/zinc/56/21/02/609562102.db2.gz MIAYUEGDYNIPKM-WBVHZDCISA-N -1 3 397.523 3.699 20 0 GHADHM Cc1c(Cl)cnc(Nc2ccc3c(c2)nc(C2CC2)n3C)c1-c1nnn[n-]1 ZINC000826240208 609582787 /nfs/dbraw/zinc/58/27/87/609582787.db2.gz IQTVSCZLYKTLRL-UHFFFAOYSA-N -1 3 380.843 3.731 20 0 GHADHM Cc1c(Cl)cnc(Nc2ccc3c(c2)nc(C2CC2)n3C)c1-c1nn[n-]n1 ZINC000826240208 609582789 /nfs/dbraw/zinc/58/27/89/609582789.db2.gz IQTVSCZLYKTLRL-UHFFFAOYSA-N -1 3 380.843 3.731 20 0 GHADHM COCC[C@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826154222 609589559 /nfs/dbraw/zinc/58/95/59/609589559.db2.gz KVEXAWGVVRKBBI-GFCCVEGCSA-N -1 3 381.358 3.538 20 0 GHADHM COCC[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826154222 609589560 /nfs/dbraw/zinc/58/95/60/609589560.db2.gz KVEXAWGVVRKBBI-GFCCVEGCSA-N -1 3 381.358 3.538 20 0 GHADHM Cc1cn(C2CCCCC2)nc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826317222 609595264 /nfs/dbraw/zinc/59/52/64/609595264.db2.gz SVHNOCUWSTVLQW-VAWYXSNFSA-N -1 3 377.452 3.529 20 0 GHADHM Cc1cn(C2CCCCC2)nc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826317222 609595266 /nfs/dbraw/zinc/59/52/66/609595266.db2.gz SVHNOCUWSTVLQW-VAWYXSNFSA-N -1 3 377.452 3.529 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264281 609603117 /nfs/dbraw/zinc/60/31/17/609603117.db2.gz IJMKHAWUQSSTNW-LPHOPBHVSA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264281 609603119 /nfs/dbraw/zinc/60/31/19/609603119.db2.gz IJMKHAWUQSSTNW-LPHOPBHVSA-N -1 3 390.491 3.744 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826402058 609607193 /nfs/dbraw/zinc/60/71/93/609607193.db2.gz MGLXMLGOMIOGSW-VMPITWQZSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826402058 609607195 /nfs/dbraw/zinc/60/71/95/609607195.db2.gz MGLXMLGOMIOGSW-VMPITWQZSA-N -1 3 391.765 3.773 20 0 GHADHM CC(C)OCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000579934610 837493446 /nfs/dbraw/zinc/49/34/46/837493446.db2.gz LVADEJQMRYNFIM-UHFFFAOYSA-N -1 3 392.257 3.642 20 0 GHADHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CCCC1 ZINC000172231315 837523299 /nfs/dbraw/zinc/52/32/99/837523299.db2.gz OOLPJDGXTTWIRL-CYBMUJFWSA-N -1 3 393.915 3.984 20 0 GHADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000414380993 837526166 /nfs/dbraw/zinc/52/61/66/837526166.db2.gz KGAUZWDECVOYTN-UHFFFAOYSA-N -1 3 394.440 3.996 20 0 GHADHM CCc1cc(=O)[n-]c(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000278259798 834397967 /nfs/dbraw/zinc/39/79/67/834397967.db2.gz IEZJQZNXTGSHHT-UHFFFAOYSA-N -1 3 381.398 3.559 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Br)ccc1N1CCCC1 ZINC000163130448 834531896 /nfs/dbraw/zinc/53/18/96/834531896.db2.gz FVKVNJHKDOKMND-OAHLLOKOSA-N -1 3 384.274 3.629 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Br)ccc1N1CCCC1 ZINC000163130448 834531898 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Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)cc1 ZINC000460684891 837925499 /nfs/dbraw/zinc/92/54/99/837925499.db2.gz QNTZASMGVZMZKZ-BBRMVZONSA-N -1 3 394.443 3.944 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C(C)C)ccc2C)cc1 ZINC000121541037 838015923 /nfs/dbraw/zinc/01/59/23/838015923.db2.gz BKAJDXBCNWYWAZ-UHFFFAOYSA-N -1 3 390.505 3.675 20 0 GHADHM O=C(CCCc1ccc(C2CC2)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000891022725 838132415 /nfs/dbraw/zinc/13/24/15/838132415.db2.gz ZPYDXWYAWCHIMM-INIZCTEOSA-N -1 3 396.453 3.804 20 0 GHADHM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623019694 838289518 /nfs/dbraw/zinc/28/95/18/838289518.db2.gz DSPJNUNTQZQVBA-UHFFFAOYSA-N -1 3 396.365 3.764 20 0 GHADHM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000653306161 838386646 /nfs/dbraw/zinc/38/66/46/838386646.db2.gz FBWYVQCSCTVXJE-VQTJNVASSA-N -1 3 384.520 3.535 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1OCC ZINC000007927805 844336678 /nfs/dbraw/zinc/33/66/78/844336678.db2.gz QBPWRBXOGLFFQY-UHFFFAOYSA-N -1 3 387.404 3.886 20 0 GHADHM COc1cccc2c1C[C@H](C(=O)Nc1cc(Br)ccc1[O-])CC2 ZINC001143546298 844333288 /nfs/dbraw/zinc/33/32/88/844333288.db2.gz ZUSXJVDVHXOAPB-GFCCVEGCSA-N -1 3 376.250 3.907 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000179388868 838541611 /nfs/dbraw/zinc/54/16/11/838541611.db2.gz PZYRFAIVANKZKK-UHFFFAOYSA-N -1 3 399.834 3.867 20 0 GHADHM O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179519925 838544858 /nfs/dbraw/zinc/54/48/58/838544858.db2.gz QITHXIKLPSBBPL-HNNXBMFYSA-N -1 3 379.416 3.670 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000179509942 838548459 /nfs/dbraw/zinc/54/84/59/838548459.db2.gz NHBJUFHHEJSAJS-LLVKDONJSA-N -1 3 399.472 3.672 20 0 GHADHM Cc1cc(=O)[nH]cc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179933492 838556453 /nfs/dbraw/zinc/55/64/53/838556453.db2.gz RSVXVZZIFWETCU-UHFFFAOYSA-N -1 3 377.425 3.918 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1c([O-])cccc1O ZINC000180854998 838574159 /nfs/dbraw/zinc/57/41/59/838574159.db2.gz GJLBHNFOHHZFJQ-MHZLTWQESA-N -1 3 381.453 3.799 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c1 ZINC000589909985 838576435 /nfs/dbraw/zinc/57/64/35/838576435.db2.gz RVUVWIYVKVJYOD-UHFFFAOYSA-N -1 3 387.807 3.526 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C(F)(F)F)CCCC2)cc1OC ZINC000416132729 838601022 /nfs/dbraw/zinc/60/10/22/838601022.db2.gz LTVLCYQARRFORL-UHFFFAOYSA-N -1 3 394.415 3.518 20 0 GHADHM O=C(C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1 ZINC000378218767 838643755 /nfs/dbraw/zinc/64/37/55/838643755.db2.gz PJJDMEBFLLDKPG-MRXNPFEDSA-N -1 3 378.403 3.545 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1ccc(O)cc1 ZINC000182618238 838757987 /nfs/dbraw/zinc/75/79/87/838757987.db2.gz TWPCMFBXZNYBIN-FQEVSTJZSA-N -1 3 376.412 3.598 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)cc(OC)c1[O-] ZINC000416262871 838849111 /nfs/dbraw/zinc/84/91/11/838849111.db2.gz XFXJEBCWCWSQHW-OAHLLOKOSA-N -1 3 377.387 3.535 20 0 GHADHM Cc1cc(OCc2ccccc2)c(C(=O)N2CCCc3c(=O)[n-]cnc32)s1 ZINC000893204339 838868677 /nfs/dbraw/zinc/86/86/77/838868677.db2.gz HUILQKNYZHBSOA-UHFFFAOYSA-N -1 3 381.457 3.724 20 0 GHADHM CC(C)n1nccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183003607 838883443 /nfs/dbraw/zinc/88/34/43/838883443.db2.gz FQNYIXRRTPSXEV-LJQANCHMSA-N -1 3 392.459 3.670 20 0 GHADHM Cc1csc(C(=O)Nc2cccc([O-])c2F)c1I ZINC000188760255 838929188 /nfs/dbraw/zinc/92/91/88/838929188.db2.gz TYMDOWXRXFMAGU-UHFFFAOYSA-N -1 3 377.178 3.758 20 0 GHADHM Cc1ccccc1COc1cccc(CC(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000893216487 838974522 /nfs/dbraw/zinc/97/45/22/838974522.db2.gz SWLLBFOHMGZCMW-UHFFFAOYSA-N -1 3 389.455 3.592 20 0 GHADHM CCOC(=O)c1ccnc([N-]C(=O)c2noc3c2CC(C)(C)CC3)c1Cl ZINC000892803529 839116438 /nfs/dbraw/zinc/11/64/38/839116438.db2.gz SEYIPSXUWFBYOJ-UHFFFAOYSA-N -1 3 377.828 3.667 20 0 GHADHM O=C(Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1)c1cccs1 ZINC000128082620 839215272 /nfs/dbraw/zinc/21/52/72/839215272.db2.gz GXICDVSEJARIKL-UHFFFAOYSA-N -1 3 379.401 3.631 20 0 GHADHM O=C(OC[C@H]1CCC2(CCOCC2)CO1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085969 839256909 /nfs/dbraw/zinc/25/69/09/839256909.db2.gz ZXIMCIWZKYTIPN-GFCCVEGCSA-N -1 3 380.391 3.633 20 0 GHADHM COc1ccc(-c2cc3[n-]c(CN(C)[C@H]4CC[C@H](O)CC4)nc(=O)c3s2)cc1 ZINC000275828166 839259971 /nfs/dbraw/zinc/25/99/71/839259971.db2.gz LGVXIFYTGPQPJV-SHTZXODSSA-N -1 3 399.516 3.808 20 0 GHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000737762025 844438451 /nfs/dbraw/zinc/43/84/51/844438451.db2.gz XZGPPWPSFAOASC-CQSZACIVSA-N -1 3 380.897 3.674 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000047031684 840131275 /nfs/dbraw/zinc/13/12/75/840131275.db2.gz OQJHWCKJBALQJH-LLVKDONJSA-N -1 3 379.334 3.636 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1C ZINC000055631452 840200223 /nfs/dbraw/zinc/20/02/23/840200223.db2.gz FSZFTIRJYOIQOD-GOSISDBHSA-N -1 3 391.489 3.671 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c(Cl)c1 ZINC000580856443 840338661 /nfs/dbraw/zinc/33/86/61/840338661.db2.gz LXNHTLJADHVPMT-UHFFFAOYSA-N -1 3 389.304 3.864 20 0 GHADHM COc1ccc([C@@H](NCc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2OC)cc1 ZINC000417028985 840386755 /nfs/dbraw/zinc/38/67/55/840386755.db2.gz NEDMHAUTPNLKFV-JOCHJYFZSA-N -1 3 391.471 3.956 20 0 GHADHM Cc1csc(CCNC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)n1 ZINC000046943072 844541664 /nfs/dbraw/zinc/54/16/64/844541664.db2.gz KDXHFTCEMGRNNT-UHFFFAOYSA-N -1 3 380.688 3.676 20 0 GHADHM Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)n2)cc1F ZINC000473066621 840660758 /nfs/dbraw/zinc/66/07/58/840660758.db2.gz DPNIVULBECXIPF-GFCCVEGCSA-N -1 3 392.390 3.517 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1ccc(F)cc1F ZINC000610485951 840858303 /nfs/dbraw/zinc/85/83/03/840858303.db2.gz JEDOGPWCGRKTDV-UHFFFAOYSA-N -1 3 375.112 3.527 20 0 GHADHM O=[S@](Cc1ccccc1)Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000156055075 840888590 /nfs/dbraw/zinc/88/85/90/840888590.db2.gz ZLHANOSTKOKCJF-PPHZAIPVSA-N -1 3 388.489 3.715 20 0 GHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000156055075 840888599 /nfs/dbraw/zinc/88/85/99/840888599.db2.gz ZLHANOSTKOKCJF-PPHZAIPVSA-N -1 3 388.489 3.715 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)o1 ZINC000581227447 840896903 /nfs/dbraw/zinc/89/69/03/840896903.db2.gz RNHOXIIFFDWGNE-UHFFFAOYSA-N -1 3 393.328 3.546 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1cccc2ncccc21 ZINC000610490757 840979298 /nfs/dbraw/zinc/97/92/98/840979298.db2.gz XIQFJRBZRWSXBZ-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000188266594 840989533 /nfs/dbraw/zinc/98/95/33/840989533.db2.gz BJWIBWQXEWJRAB-SFQUDFHCSA-N -1 3 396.874 3.817 20 0 GHADHM COCc1cnc(CNC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])s1 ZINC000417550945 840991911 /nfs/dbraw/zinc/99/19/11/840991911.db2.gz XURFFYMPEJAMDP-IBGZPJMESA-N -1 3 396.512 3.990 20 0 GHADHM CC(C)(C)OC(=O)C[C@@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000417577407 841021185 /nfs/dbraw/zinc/02/11/85/841021185.db2.gz WNMGIYPNNRHDLL-CQSZACIVSA-N -1 3 396.896 3.738 20 0 GHADHM Cc1cc(Br)cc(CN[C@H](CC(F)F)C(=O)[O-])c1OC(F)F ZINC000417596097 841045148 /nfs/dbraw/zinc/04/51/48/841045148.db2.gz PPBKWLLSBCXTGC-SECBINFHSA-N -1 3 388.155 3.557 20 0 GHADHM O=C([O-])[C@@H](CC1CC1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000417618743 841058884 /nfs/dbraw/zinc/05/88/84/841058884.db2.gz GYRFKWQEKDHTNP-CQSZACIVSA-N -1 3 381.295 3.916 20 0 GHADHM CCCOc1ccc(Br)cc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417616048 841067485 /nfs/dbraw/zinc/06/74/85/841067485.db2.gz ALWWDZPCEGPTQZ-NSHDSACASA-N -1 3 398.219 3.981 20 0 GHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000684609048 844608988 /nfs/dbraw/zinc/60/89/88/844608988.db2.gz DHCABCBUQYHMNS-UHFFFAOYSA-N -1 3 390.505 3.888 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000584875454 841146536 /nfs/dbraw/zinc/14/65/36/841146536.db2.gz BHRFIGXJRJMWQD-KRWDZBQOSA-N -1 3 387.277 3.695 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000651630981 841177600 /nfs/dbraw/zinc/17/76/00/841177600.db2.gz XVRVBJHHNOSIMO-VXGBXAGGSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2sc(Br)cc2C)n1 ZINC000651641610 841204892 /nfs/dbraw/zinc/20/48/92/841204892.db2.gz YAFQKKYOJRHSMZ-QMMMGPOBSA-N -1 3 395.369 3.666 20 0 GHADHM CCCc1c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cnn1-c1ccccc1C ZINC000277112279 844628270 /nfs/dbraw/zinc/62/82/70/844628270.db2.gz PWRLCMQFWZWDPO-UHFFFAOYSA-N -1 3 393.491 3.817 20 0 GHADHM O=C(COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)[N-]C(=O)c1cccs1 ZINC000730615641 861198220 /nfs/dbraw/zinc/19/82/20/861198220.db2.gz XNLFRHAYZQJUFT-RYUDHWBXSA-N -1 3 398.267 3.658 20 0 GHADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1cccc(OC2CC2)c1F ZINC000656574375 841449602 /nfs/dbraw/zinc/44/96/02/841449602.db2.gz UIMXPPLSWIAVCF-INIZCTEOSA-N -1 3 381.806 3.945 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)c2)n1 ZINC000049302413 841504355 /nfs/dbraw/zinc/50/43/55/841504355.db2.gz CDUPZLQHXGUTOF-SFHVURJKSA-N -1 3 395.846 3.595 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1)C1CCCC1 ZINC000656623144 841594767 /nfs/dbraw/zinc/59/47/67/841594767.db2.gz CGHTVLONFFEOSR-KRWDZBQOSA-N -1 3 391.493 3.561 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCCO3)c2)cc1 ZINC000473049177 841746096 /nfs/dbraw/zinc/74/60/96/841746096.db2.gz MYULIZINYXCXOQ-UHFFFAOYSA-N -1 3 388.489 3.662 20 0 GHADHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000756580416 841820744 /nfs/dbraw/zinc/82/07/44/841820744.db2.gz SAIHZXKJWRZOGO-UHFFFAOYSA-N -1 3 390.212 3.509 20 0 GHADHM C[C@@]1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCS1 ZINC000184184822 841900440 /nfs/dbraw/zinc/90/04/40/841900440.db2.gz HFFRAYKMGUBISZ-UGKGYDQZSA-N -1 3 398.528 3.655 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000582121892 841913083 /nfs/dbraw/zinc/91/30/83/841913083.db2.gz NTZYMFMBSRMZHJ-AEFFLSMTSA-N -1 3 390.499 3.672 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)CCCc3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000461635583 841913445 /nfs/dbraw/zinc/91/34/45/841913445.db2.gz ZAYPXBXXJXGBLG-UHFFFAOYSA-N -1 3 395.503 3.842 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C(=O)N(C)C)cc3)nc(=O)c2c1C ZINC000728353574 841966315 /nfs/dbraw/zinc/96/63/15/841966315.db2.gz HZRNTBWUGMYZAH-LLVKDONJSA-N -1 3 399.472 3.634 20 0 GHADHM CC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC000730763844 861264722 /nfs/dbraw/zinc/26/47/22/861264722.db2.gz GADBKEIZDBQHGM-HXUWFJFHSA-N -1 3 392.496 3.568 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000471690249 842165654 /nfs/dbraw/zinc/16/56/54/842165654.db2.gz XVRFMJPEFINXFA-QGZVFWFLSA-N -1 3 390.281 3.890 20 0 GHADHM Cn1ncc2c1ncc(C(=O)Nc1c(F)cccc1Oc1ccccc1)c2[O-] ZINC000512034793 842229611 /nfs/dbraw/zinc/22/96/11/842229611.db2.gz JLEWCQBMYWBLDE-UHFFFAOYSA-N -1 3 378.363 3.858 20 0 GHADHM Cn1ncc2c1ncc(C(=O)N(Cc1ccc(F)cc1F)C1CCCC1)c2[O-] ZINC000512034543 842230073 /nfs/dbraw/zinc/23/00/73/842230073.db2.gz HADRINRWPZIONZ-UHFFFAOYSA-N -1 3 386.402 3.537 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(Cl)cc1 ZINC000487368066 842391316 /nfs/dbraw/zinc/39/13/16/842391316.db2.gz NNRQFCNNHPMVBB-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2Cc3cc(F)c(F)cc3C2)s1 ZINC001143401652 842424401 /nfs/dbraw/zinc/42/44/01/842424401.db2.gz WEHSWOFGYAGLQT-UHFFFAOYSA-N -1 3 381.404 3.924 20 0 GHADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cccc21 ZINC000432483412 842643720 /nfs/dbraw/zinc/64/37/20/842643720.db2.gz OQHXGODNHJGKSO-MRXNPFEDSA-N -1 3 384.860 3.665 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cccc21 ZINC000432483411 842643807 /nfs/dbraw/zinc/64/38/07/842643807.db2.gz OQHXGODNHJGKSO-INIZCTEOSA-N -1 3 384.860 3.665 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCOc1ccccc1Cl ZINC000050558331 842716432 /nfs/dbraw/zinc/71/64/32/842716432.db2.gz JRXDXBIMUQTZKZ-UHFFFAOYSA-N -1 3 382.869 3.509 20 0 GHADHM CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2ccc([O-])c(F)c2)ccn1 ZINC000606685222 842929369 /nfs/dbraw/zinc/92/93/69/842929369.db2.gz DVJGDRMUPCVQOH-CQSZACIVSA-N -1 3 375.444 3.739 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000663260991 842942521 /nfs/dbraw/zinc/94/25/21/842942521.db2.gz GGDNEEICQXEYLH-INIZCTEOSA-N -1 3 399.365 3.647 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)(C)C ZINC000510611802 843052702 /nfs/dbraw/zinc/05/27/02/843052702.db2.gz AOSAPAHAZDOTPF-LBPRGKRZSA-N -1 3 398.750 3.832 20 0 GHADHM Cc1nc(C)c(CCC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000432555644 843126529 /nfs/dbraw/zinc/12/65/29/843126529.db2.gz VRMCUOAACHPONW-INIZCTEOSA-N -1 3 381.398 3.584 20 0 GHADHM O=S(=O)([N-]CCc1cccs1)c1c(Cl)cccc1Br ZINC000302432922 843129946 /nfs/dbraw/zinc/12/99/46/843129946.db2.gz 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GHADHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccccc2SC2CCCC2)c1 ZINC000502208650 847592791 /nfs/dbraw/zinc/59/27/91/847592791.db2.gz NZOWJIQIJBYHGI-UHFFFAOYSA-N -1 3 391.518 3.740 20 0 GHADHM CCCc1ccc([C@@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)C(C)C)cc1 ZINC000502266935 847650228 /nfs/dbraw/zinc/65/02/28/847650228.db2.gz HXZZQQRZWSPEBJ-IBGZPJMESA-N -1 3 389.521 3.533 20 0 GHADHM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179847755 861815015 /nfs/dbraw/zinc/81/50/15/861815015.db2.gz CAOBKAQOMMXFKD-UHFFFAOYSA-N -1 3 394.403 3.514 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1cc(Cl)ccc1F ZINC000582621950 847826462 /nfs/dbraw/zinc/82/64/62/847826462.db2.gz ZHRRATFDUIAYML-CQSZACIVSA-N -1 3 382.888 3.674 20 0 GHADHM O=C(Nc1ccc2cccc(Br)c2n1)c1cc(F)cc2n[n-]nc21 ZINC000503709800 847914958 /nfs/dbraw/zinc/91/49/58/847914958.db2.gz RZLUXKAEBLXQHH-UHFFFAOYSA-N -1 3 386.184 3.660 20 0 GHADHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)nc1 ZINC000625415827 861844258 /nfs/dbraw/zinc/84/42/58/861844258.db2.gz IBWBFJRHFIHSDL-UHFFFAOYSA-N -1 3 390.402 3.804 20 0 GHADHM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000685002389 848118155 /nfs/dbraw/zinc/11/81/55/848118155.db2.gz NNZDHWJKANPRPA-UHFFFAOYSA-N -1 3 383.473 3.521 20 0 GHADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1ccc(F)cc1C(F)(F)F ZINC000604149085 861893871 /nfs/dbraw/zinc/89/38/71/861893871.db2.gz WCYYUPWELOKAED-UHFFFAOYSA-N -1 3 384.354 3.871 20 0 GHADHM COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001299249767 861895571 /nfs/dbraw/zinc/89/55/71/861895571.db2.gz QXBSBUYMMQWPQS-JTQLQIEISA-N -1 3 378.222 3.684 20 0 GHADHM CCC[C@H](NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000582845024 848550507 /nfs/dbraw/zinc/55/05/07/848550507.db2.gz AOGNMBQYNUUVJH-GFRNBQLOSA-N -1 3 394.515 3.833 20 0 GHADHM CCOC(=O)CCN(Cc1ccccc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647102 861920163 /nfs/dbraw/zinc/92/01/63/861920163.db2.gz OJDNNYCALOWNFT-UHFFFAOYSA-N -1 3 375.852 3.994 20 0 GHADHM CC(C)c1ccc(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000731892910 861942383 /nfs/dbraw/zinc/94/23/83/861942383.db2.gz ZZSHELGMDFEBHH-CYBMUJFWSA-N -1 3 395.912 3.554 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2I)c1[O-] ZINC000582980611 848803821 /nfs/dbraw/zinc/80/38/21/848803821.db2.gz VYLDBDVLCOYHAL-UHFFFAOYSA-N -1 3 395.196 3.760 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000673842947 861970805 /nfs/dbraw/zinc/97/08/05/861970805.db2.gz METTVBDRESXDAY-GXFFZTMASA-N -1 3 377.847 3.867 20 0 GHADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1ccc(Br)cc1 ZINC000583134218 849160447 /nfs/dbraw/zinc/16/04/47/849160447.db2.gz YVARRAOJIXWRMP-UHFFFAOYSA-N -1 3 394.294 3.694 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3F)nc(=O)c2c1C ZINC000052184357 849347665 /nfs/dbraw/zinc/34/76/65/849347665.db2.gz QXAYAKRQDMPGTO-MRVPVSSYSA-N -1 3 391.380 3.567 20 0 GHADHM [O-]c1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1Br ZINC000155586586 849560037 /nfs/dbraw/zinc/56/00/37/849560037.db2.gz IDTSTTBNYXNPJN-UHFFFAOYSA-N -1 3 396.248 3.896 20 0 GHADHM [O-]c1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1Br ZINC000155605441 849580752 /nfs/dbraw/zinc/58/07/52/849580752.db2.gz RPEDWXIFSWYNIB-UHFFFAOYSA-N -1 3 396.248 3.872 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c(F)c1 ZINC000732047531 862057732 /nfs/dbraw/zinc/05/77/32/862057732.db2.gz RGWWRMHQDVXOQC-UHFFFAOYSA-N -1 3 393.436 3.735 20 0 GHADHM NC(=O)c1ccccc1Oc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000673907167 862076183 /nfs/dbraw/zinc/07/61/83/862076183.db2.gz YSBFVTLREUYCJW-UHFFFAOYSA-N -1 3 399.406 3.672 20 0 GHADHM CCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504244206 849984281 /nfs/dbraw/zinc/98/42/81/849984281.db2.gz CYTIVLHHMNQWOZ-MRXNPFEDSA-N -1 3 391.471 3.798 20 0 GHADHM COc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c(OCCOC(C)C)c1 ZINC000514606262 850048635 /nfs/dbraw/zinc/04/86/35/850048635.db2.gz VXMJBBWXDRYIBX-UHFFFAOYSA-N -1 3 387.432 3.660 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)c(=O)[n-]1 ZINC000908455006 850128766 /nfs/dbraw/zinc/12/87/66/850128766.db2.gz OQIBACSMQMBQQP-UHFFFAOYSA-N -1 3 375.734 3.532 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)c(F)cc1F ZINC000486859658 850174489 /nfs/dbraw/zinc/17/44/89/850174489.db2.gz RPAXVGXPLDSFAG-ZETCQYMHSA-N -1 3 386.367 3.788 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(Oc2ccccc2F)c1)c1ccc(F)cc1F ZINC000486861096 850174547 /nfs/dbraw/zinc/17/45/47/850174547.db2.gz XOSNNXAAVZLZFU-UHFFFAOYSA-N -1 3 394.374 3.770 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000514706969 850194474 /nfs/dbraw/zinc/19/44/74/850194474.db2.gz ZYJDEAKGUGPWFP-UHFFFAOYSA-N -1 3 397.880 3.928 20 0 GHADHM Cn1[nH]c(-c2ccccc2)c2c([N-]C(=O)c3cc(-c4ccccc4)no3)nnc1-2 ZINC000604370097 862103810 /nfs/dbraw/zinc/10/38/10/862103810.db2.gz QZBFWXOGAFCLHC-UHFFFAOYSA-N -1 3 384.399 3.871 20 0 GHADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cnn2cc(Br)cnc12 ZINC000180370267 862103925 /nfs/dbraw/zinc/10/39/25/862103925.db2.gz OFICYHINHCKILC-UHFFFAOYSA-N -1 3 387.571 3.676 20 0 GHADHM C[C@@H](NC(=O)CN1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000424251780 850314481 /nfs/dbraw/zinc/31/44/81/850314481.db2.gz CTYFDWSNZSBGPG-OCCSQVGLSA-N -1 3 387.307 3.890 20 0 GHADHM CN(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000424265041 850324193 /nfs/dbraw/zinc/32/41/93/850324193.db2.gz UVIRHWVRLOKUNA-NRFANRHFSA-N -1 3 394.515 3.954 20 0 GHADHM CC[C@](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000908751381 850328061 /nfs/dbraw/zinc/32/80/61/850328061.db2.gz LEUDQSAFDMBOMA-NZQKXSOJSA-N -1 3 395.503 3.513 20 0 GHADHM CC1(C)CCC[C@@](NC(=O)NC[C@H](c2cccs2)N2CCCC2)(C(=O)[O-])C1 ZINC000908752290 850329100 /nfs/dbraw/zinc/32/91/00/850329100.db2.gz OVRSUZGJPNKUDP-QRWLVFNGSA-N -1 3 393.553 3.608 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000908753445 850330632 /nfs/dbraw/zinc/33/06/32/850330632.db2.gz VLPAYFCMLWJVNU-RXVVDRJESA-N -1 3 395.503 3.508 20 0 GHADHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000487001480 850342804 /nfs/dbraw/zinc/34/28/04/850342804.db2.gz ULJMOGPYZCNCRJ-GFCCVEGCSA-N -1 3 375.416 3.597 20 0 GHADHM CCN(CC)[C@H](CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccsc1 ZINC000908807670 850374841 /nfs/dbraw/zinc/37/48/41/850374841.db2.gz XSFRKJQFPQQBIP-MRXNPFEDSA-N -1 3 381.542 3.560 20 0 GHADHM CCC(CC)(CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000424390826 850428421 /nfs/dbraw/zinc/42/84/21/850428421.db2.gz OUFNNWRBPVYHKX-INIZCTEOSA-N -1 3 395.569 3.711 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000908859920 850434130 /nfs/dbraw/zinc/43/41/30/850434130.db2.gz WBKNFNKNMAGRBI-LEWJYISDSA-N -1 3 397.519 3.845 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 ZINC000514907249 850457878 /nfs/dbraw/zinc/45/78/78/850457878.db2.gz KCXCKAYXJCCPSN-UHFFFAOYSA-N -1 3 395.440 3.661 20 0 GHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000518989880 850472917 /nfs/dbraw/zinc/47/29/17/850472917.db2.gz ZEALYZQGAQTFHN-KBPBESRZSA-N -1 3 393.484 3.511 20 0 GHADHM Cn1ccnc1[C@H](CC(=O)Nc1ccc(Br)cc1[O-])C(F)(F)F ZINC000569738989 850520356 /nfs/dbraw/zinc/52/03/56/850520356.db2.gz AVWMECDITPXXSX-VIFPVBQESA-N -1 3 392.175 3.563 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(Cl)c3)n2)cc1 ZINC000505039533 850554077 /nfs/dbraw/zinc/55/40/77/850554077.db2.gz PDRAHRBAXPCWCS-LBPRGKRZSA-N -1 3 391.880 3.992 20 0 GHADHM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000487289621 850650550 /nfs/dbraw/zinc/65/05/50/850650550.db2.gz VXTPNRZFPGXWKT-UHFFFAOYSA-N -1 3 397.880 3.781 20 0 GHADHM Cc1nn(CC(F)F)cc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000909703721 850706958 /nfs/dbraw/zinc/70/69/58/850706958.db2.gz AIAOTMASQRFNPR-VIFPVBQESA-N -1 3 396.419 3.702 20 0 GHADHM CCOc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@H]3C)cs2)cc1OC ZINC000515176903 850757909 /nfs/dbraw/zinc/75/79/09/850757909.db2.gz HIVRKJKPBRBYFT-DOMZBBRYSA-N -1 3 376.478 3.512 20 0 GHADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000909748664 850772250 /nfs/dbraw/zinc/77/22/50/850772250.db2.gz ICQUVRIOGUVVNA-SFHVURJKSA-N -1 3 380.488 3.788 20 0 GHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000909854961 850810274 /nfs/dbraw/zinc/81/02/74/850810274.db2.gz GVAQJDYYRMSCDA-DEOSSOPVSA-N -1 3 392.499 3.541 20 0 GHADHM CC[C@](CNC(=O)c1oc2ccccc2c1CN(C)C)(C(=O)[O-])c1ccccc1 ZINC000909844262 850821240 /nfs/dbraw/zinc/82/12/40/850821240.db2.gz DETWSKAWZQUNFQ-HSZRJFAPSA-N -1 3 394.471 3.657 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@](C)(O)c3ccc(F)cc3)nc(=O)c2c1C ZINC000909883006 850833817 /nfs/dbraw/zinc/83/38/17/850833817.db2.gz GIFHPTWUEADQPW-APBUJDDRSA-N -1 3 390.436 3.665 20 0 GHADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000519266009 850842114 /nfs/dbraw/zinc/84/21/14/850842114.db2.gz IYLKJCVCGMVGFH-NSHDSACASA-N -1 3 382.279 3.882 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC([C@@H]4CCCCO4)CC3)cc2)cc(=O)[n-]1 ZINC000664408376 850874511 /nfs/dbraw/zinc/87/45/11/850874511.db2.gz JXBIKPOLCNOFFZ-FQEVSTJZSA-N -1 3 396.491 3.971 20 0 GHADHM O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1c([O-])cccc1Cl ZINC000515334040 850917640 /nfs/dbraw/zinc/91/76/40/850917640.db2.gz NZZRJODAWPAYFS-UHFFFAOYSA-N -1 3 391.899 3.642 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)N2CCCC2)cc1 ZINC000522619085 862193245 /nfs/dbraw/zinc/19/32/45/862193245.db2.gz ABJYEHKMTURSCG-MRXNPFEDSA-N -1 3 387.553 3.525 20 0 GHADHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([O-])ccc2Cl)c1C ZINC000435926371 850998350 /nfs/dbraw/zinc/99/83/50/850998350.db2.gz IWGGWRFDLQQGIC-QGZVFWFLSA-N -1 3 390.892 3.816 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1[O-] ZINC000519405913 851012834 /nfs/dbraw/zinc/01/28/34/851012834.db2.gz GRVLNMVZPSNJSU-QGZVFWFLSA-N -1 3 398.478 3.652 20 0 GHADHM COc1cc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000513962301 851074868 /nfs/dbraw/zinc/07/48/68/851074868.db2.gz VCLJCKHODJXVMV-LLVKDONJSA-N -1 3 399.365 3.626 20 0 GHADHM COc1cc(C(=O)NCCCO[C@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000513964961 851077957 /nfs/dbraw/zinc/07/79/57/851077957.db2.gz QQJBUBZYYNFKPT-SFHVURJKSA-N -1 3 385.460 3.624 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910300848 851112273 /nfs/dbraw/zinc/11/22/73/851112273.db2.gz ARRYMSMXDRBWQO-DLBZAZTESA-N -1 3 378.428 3.935 20 0 GHADHM COc1cccc2c1ncc(C(=O)[O-])c2N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000910373075 851163198 /nfs/dbraw/zinc/16/31/98/851163198.db2.gz OGKUUEKJVQEMDE-INIZCTEOSA-N -1 3 391.471 3.825 20 0 GHADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000016122727 851211181 /nfs/dbraw/zinc/21/11/81/851211181.db2.gz NTKNWHJGSPOXJO-UHFFFAOYSA-N -1 3 388.489 3.557 20 0 GHADHM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2o1 ZINC000515630603 851269497 /nfs/dbraw/zinc/26/94/97/851269497.db2.gz ANOCJNMMRRXMEP-UHFFFAOYSA-N -1 3 389.429 3.646 20 0 GHADHM COc1ccc(Cl)cc1-c1nc(SCc2cc(=O)[n-]c(C3CC3)n2)n[nH]1 ZINC000519527346 851317697 /nfs/dbraw/zinc/31/76/97/851317697.db2.gz QSFZNIZQKCNOQH-UHFFFAOYSA-N -1 3 389.868 3.799 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc(-c2cncnc2)cc1F ZINC000481775721 862234409 /nfs/dbraw/zinc/23/44/09/862234409.db2.gz GWSNLENFUQYBLZ-UHFFFAOYSA-N -1 3 395.344 3.625 20 0 GHADHM CCN(C(=O)c1cc(=O)[n-]cn1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000625525938 862248850 /nfs/dbraw/zinc/24/88/50/862248850.db2.gz AOTHFSVOOCTFMQ-OAQYLSRUSA-N -1 3 376.460 3.952 20 0 GHADHM COCc1ccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)o1 ZINC000111001560 851526892 /nfs/dbraw/zinc/52/68/92/851526892.db2.gz VGLHWOYFOMCYHK-UHFFFAOYSA-N -1 3 394.250 3.959 20 0 GHADHM CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cncc([O-])c2)cs1 ZINC000732394707 862258485 /nfs/dbraw/zinc/25/84/85/862258485.db2.gz RTOSVXKQEPHQKA-UHFFFAOYSA-N -1 3 397.456 3.848 20 0 GHADHM CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cncc([O-])c3)ccc21 ZINC000732391109 862254062 /nfs/dbraw/zinc/25/40/62/862254062.db2.gz DVZNKKVYWRUTPJ-UHFFFAOYSA-N -1 3 389.411 3.711 20 0 GHADHM Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2cncc([O-])c2)cc1 ZINC000732392471 862257961 /nfs/dbraw/zinc/25/79/61/862257961.db2.gz WRTBHAAJMFNPHV-UHFFFAOYSA-N -1 3 378.384 3.683 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)C1(c2ccc(Cl)cc2)CC1 ZINC000430109169 851586239 /nfs/dbraw/zinc/58/62/39/851586239.db2.gz XXHSAHDNQZGQLO-UHFFFAOYSA-N -1 3 390.668 3.842 20 0 GHADHM C[C@@H](OC1CCCCCC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430109073 851586335 /nfs/dbraw/zinc/58/63/35/851586335.db2.gz XSRBCDLZKBIDAA-GFCCVEGCSA-N -1 3 380.286 3.585 20 0 GHADHM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000911226941 851651456 /nfs/dbraw/zinc/65/14/56/851651456.db2.gz GZXQKVXDOQYMOD-KRWDZBQOSA-N -1 3 386.879 3.775 20 0 GHADHM CCCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911226952 851651490 /nfs/dbraw/zinc/65/14/90/851651490.db2.gz HFQQIIZWSCTBPT-JOCHJYFZSA-N -1 3 394.515 3.831 20 0 GHADHM Cc1oc(C(=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000911271762 851655745 /nfs/dbraw/zinc/65/57/45/851655745.db2.gz MWXSWNDMBFVOEL-UHFFFAOYSA-N -1 3 398.381 3.509 20 0 GHADHM C[C@@H](CC(=O)[O-])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000911293568 851670360 /nfs/dbraw/zinc/67/03/60/851670360.db2.gz SIZVRTXMFQIGJX-ZDUSSCGKSA-N -1 3 387.307 3.529 20 0 GHADHM CC[C@H](C(=O)[O-])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000911292950 851670520 /nfs/dbraw/zinc/67/05/20/851670520.db2.gz RJDMGQDMQYQYFQ-AWEZNQCLSA-N -1 3 387.307 3.529 20 0 GHADHM Cc1cccc(OCCCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488671698 851686317 /nfs/dbraw/zinc/68/63/17/851686317.db2.gz DCSHTIVVJKIFJN-UHFFFAOYSA-N -1 3 378.266 3.939 20 0 GHADHM O=C([O-])[C@H]1CCCN(CC(=O)N(Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000911340337 851700428 /nfs/dbraw/zinc/70/04/28/851700428.db2.gz YQCQSNXPUYMTQA-FQEVSTJZSA-N -1 3 394.515 3.908 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC)ccc2C)cc1 ZINC000027338457 851726055 /nfs/dbraw/zinc/72/60/55/851726055.db2.gz GYSWOGPVSSMOPN-OAHLLOKOSA-N -1 3 390.505 3.723 20 0 GHADHM CC1(C)CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C(C)(C)CN1Cc1ccccc1 ZINC000911501526 851762904 /nfs/dbraw/zinc/76/29/04/851762904.db2.gz UMUNAJQUZUWIRT-ZHACJKMWSA-N -1 3 396.487 3.893 20 0 GHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488932735 851870955 /nfs/dbraw/zinc/87/09/55/851870955.db2.gz AVFDGSIUUPBXTK-JTQLQIEISA-N -1 3 379.350 3.893 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C(F)=Cc2ccc(C(F)(F)F)cc2)n1 ZINC000911809684 851904962 /nfs/dbraw/zinc/90/49/62/851904962.db2.gz ODTFDNYKGOYZKB-UKTHLTGXSA-N -1 3 383.345 3.871 20 0 GHADHM CCC(CC)n1nc(C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000180740143 862307372 /nfs/dbraw/zinc/30/73/72/862307372.db2.gz KMNJAVKHTDYOGF-UHFFFAOYSA-N -1 3 380.286 3.951 20 0 GHADHM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436525788 852015382 /nfs/dbraw/zinc/01/53/82/852015382.db2.gz ORBQXLRHIQAAPK-HNNXBMFYSA-N -1 3 390.505 3.561 20 0 GHADHM CCc1nnc([N-]C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)s1 ZINC000517476820 852021455 /nfs/dbraw/zinc/02/14/55/852021455.db2.gz UVUJZNLSFDIUDD-UHFFFAOYSA-N -1 3 390.472 3.909 20 0 GHADHM CCCOc1ccc(CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1OCCC ZINC000438081344 852022318 /nfs/dbraw/zinc/02/23/18/852022318.db2.gz ZGYLVQWWFFMEBX-UHFFFAOYSA-N -1 3 394.475 3.652 20 0 GHADHM Cc1ncc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000436556335 852044884 /nfs/dbraw/zinc/04/48/84/852044884.db2.gz KJYPLZHDPWBAQD-KRWDZBQOSA-N -1 3 381.457 3.657 20 0 GHADHM C[C@H](N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1)C(F)(F)F ZINC000436575290 852060386 /nfs/dbraw/zinc/06/03/86/852060386.db2.gz OBJCPGSOFFLWHJ-HNNXBMFYSA-N -1 3 392.421 3.692 20 0 GHADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436563222 852066767 /nfs/dbraw/zinc/06/67/67/852066767.db2.gz OMODKCIBJJLOOQ-CQSZACIVSA-N -1 3 385.464 3.766 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1[O-] ZINC000436563606 852066812 /nfs/dbraw/zinc/06/68/12/852066812.db2.gz DWLUCWJWRGFNDE-UHFFFAOYSA-N -1 3 380.375 3.851 20 0 GHADHM CS(=O)(=O)c1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436572179 852075819 /nfs/dbraw/zinc/07/58/19/852075819.db2.gz DKPONGHTXBDOGC-UHFFFAOYSA-N -1 3 381.453 3.639 20 0 GHADHM Cc1ccc(O[C@H](C)C(=O)NCc2ccc([O-])c(F)c2)c(Br)c1 ZINC000132900521 862317777 /nfs/dbraw/zinc/31/77/77/862317777.db2.gz NVDAPILRHVWAOY-LLVKDONJSA-N -1 3 382.229 3.686 20 0 GHADHM COc1ccccc1CN(CCO)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436598843 852084485 /nfs/dbraw/zinc/08/44/85/852084485.db2.gz BQDRSDZIFOXVTA-UHFFFAOYSA-N -1 3 391.467 3.626 20 0 GHADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436598243 852085745 /nfs/dbraw/zinc/08/57/45/852085745.db2.gz STSDTIUUBPFAGU-UHFFFAOYSA-N -1 3 393.464 3.565 20 0 GHADHM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436598698 852085951 /nfs/dbraw/zinc/08/59/51/852085951.db2.gz VIUXBNMWJFTBQG-UHFFFAOYSA-N -1 3 392.430 3.833 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c([O-])c1 ZINC000436578523 852086999 /nfs/dbraw/zinc/08/69/99/852086999.db2.gz RGMKTTAUDZWYHS-KRWDZBQOSA-N -1 3 380.488 3.798 20 0 GHADHM Cn1c(=O)cccc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436602208 852102178 /nfs/dbraw/zinc/10/21/78/852102178.db2.gz FHOJAGYQPQVIHV-UHFFFAOYSA-N -1 3 377.425 3.620 20 0 GHADHM CN(C)C(=O)Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000436617745 852117565 /nfs/dbraw/zinc/11/75/65/852117565.db2.gz JGUOOLAOYLWQEO-UHFFFAOYSA-N -1 3 388.467 3.866 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCCC[C@H]3C)cs2)c1 ZINC000436629342 852125237 /nfs/dbraw/zinc/12/52/37/852125237.db2.gz VFSORMGKVRGVTA-CZUORRHYSA-N -1 3 387.505 3.647 20 0 GHADHM CC(C)(CCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436639886 852134002 /nfs/dbraw/zinc/13/40/02/852134002.db2.gz FTMHZTTWJJFFSI-UHFFFAOYSA-N -1 3 394.515 3.871 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2c([O-])cccc2O)ccc1OCc1ccncc1 ZINC000436649205 852139435 /nfs/dbraw/zinc/13/94/35/852139435.db2.gz UBVOOFDNZJLQBI-CQSZACIVSA-N -1 3 394.427 3.571 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[O-] ZINC000436653070 852141753 /nfs/dbraw/zinc/14/17/53/852141753.db2.gz COYFGEMHADYITO-SNVBAGLBSA-N -1 3 385.807 3.789 20 0 GHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(-c2nc(-c3cccnc3)no2)c1 ZINC000517610000 852150036 /nfs/dbraw/zinc/15/00/36/852150036.db2.gz XZRUPOAOIANKAT-UHFFFAOYSA-N -1 3 396.403 3.739 20 0 GHADHM CC(C)CCc1nnc([N-]C(=O)c2nn(C(C)C)cc2Br)s1 ZINC000912286365 852180075 /nfs/dbraw/zinc/18/00/75/852180075.db2.gz URRDRKMIUOYYKD-UHFFFAOYSA-N -1 3 386.319 3.919 20 0 GHADHM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436698987 852213108 /nfs/dbraw/zinc/21/31/08/852213108.db2.gz RSKRKGXKHOIMGB-INIZCTEOSA-N -1 3 382.460 3.705 20 0 GHADHM CC(C)N1CCO[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436704585 852222989 /nfs/dbraw/zinc/22/29/89/852222989.db2.gz HIGYXSCTPXRODD-GOSISDBHSA-N -1 3 397.500 3.717 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C)c2Br)c([O-])c1 ZINC000436706898 852224109 /nfs/dbraw/zinc/22/41/09/852224109.db2.gz QEJFFPWPPFWZHX-UHFFFAOYSA-N -1 3 391.265 3.530 20 0 GHADHM CCCCC1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436725659 852228783 /nfs/dbraw/zinc/22/87/83/852228783.db2.gz YPQPGLBVSOCIKI-UHFFFAOYSA-N -1 3 387.524 3.609 20 0 GHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000436717583 852241514 /nfs/dbraw/zinc/24/15/14/852241514.db2.gz TZXPUNVWOZEDNA-UHFFFAOYSA-N -1 3 375.472 3.920 20 0 GHADHM CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436735259 852252739 /nfs/dbraw/zinc/25/27/39/852252739.db2.gz CDCJIXAUQSWRIH-KRWDZBQOSA-N -1 3 382.460 3.563 20 0 GHADHM COc1ccc(Nc2ccccc2C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000473847069 852260062 /nfs/dbraw/zinc/26/00/62/852260062.db2.gz LOJXJQSBOHZPGQ-LJQANCHMSA-N -1 3 378.432 3.688 20 0 GHADHM COc1cc(NC(=O)c2cc(C)ccc2[O-])c(C(=O)N2CCCCC2)cc1OC ZINC000436759959 852279141 /nfs/dbraw/zinc/27/91/41/852279141.db2.gz JGLHNVQKZJAHJY-UHFFFAOYSA-N -1 3 398.459 3.596 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC=CC23CCCCC3)c1 ZINC000912477232 852297998 /nfs/dbraw/zinc/29/79/98/852297998.db2.gz CCVBFVULLNAZIQ-UHFFFAOYSA-N -1 3 381.432 3.656 20 0 GHADHM COc1cc(CNCc2ccccc2CC(=O)[O-])ccc1OCc1ccncc1 ZINC000426708432 852315887 /nfs/dbraw/zinc/31/58/87/852315887.db2.gz JRKDTZCMKKNMHU-UHFFFAOYSA-N -1 3 392.455 3.586 20 0 GHADHM Cc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c1[O-] ZINC000436780985 852316505 /nfs/dbraw/zinc/31/65/05/852316505.db2.gz RPVJJCQFYISQDP-UHFFFAOYSA-N -1 3 375.432 3.589 20 0 GHADHM CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436780383 852317493 /nfs/dbraw/zinc/31/74/93/852317493.db2.gz ZYSYATDMMUMJMZ-UHFFFAOYSA-N -1 3 382.460 3.840 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000436786815 852340633 /nfs/dbraw/zinc/34/06/33/852340633.db2.gz KQXOWPIBPBQFAI-SNVBAGLBSA-N -1 3 382.338 3.740 20 0 GHADHM CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[O-])Oc1ccccc1Cl ZINC000436792829 852349815 /nfs/dbraw/zinc/34/98/15/852349815.db2.gz YDFOJZMKLACFRM-CQSZACIVSA-N -1 3 376.840 3.591 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1F ZINC000329822053 862348034 /nfs/dbraw/zinc/34/80/34/862348034.db2.gz HFZDXEFECAVHPX-GOSISDBHSA-N -1 3 395.883 3.852 20 0 GHADHM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000436805893 852365049 /nfs/dbraw/zinc/36/50/49/852365049.db2.gz GJASHQRXYFSAQW-UZUQRXQVSA-N -1 3 383.488 3.698 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1OC(C)C ZINC000436814141 852374819 /nfs/dbraw/zinc/37/48/19/852374819.db2.gz HAGIFUPEIVFXMW-GOSISDBHSA-N -1 3 382.460 3.731 20 0 GHADHM CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000517766940 852381731 /nfs/dbraw/zinc/38/17/31/852381731.db2.gz NUNBORUDPXFJKT-GOSISDBHSA-N -1 3 389.249 3.512 20 0 GHADHM CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)c([O-])c1 ZINC000436822086 852390054 /nfs/dbraw/zinc/39/00/54/852390054.db2.gz RLEAZYLPGKUWNE-SFHVURJKSA-N -1 3 384.501 3.725 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1Cl ZINC000329835222 862358440 /nfs/dbraw/zinc/35/84/40/862358440.db2.gz LIIVWNNQRCTZLQ-GOSISDBHSA-N -1 3 395.883 3.852 20 0 GHADHM O=c1[n-]c(CN2CCN(c3cc(F)ccc3F)CC2)nc2c3ccccc3oc21 ZINC000426859728 852473701 /nfs/dbraw/zinc/47/37/01/852473701.db2.gz SAVNRVHZKUKPAG-UHFFFAOYSA-N -1 3 396.397 3.682 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccccc1 ZINC000436911248 852476611 /nfs/dbraw/zinc/47/66/11/852476611.db2.gz PPOOOLXYAIPEFS-HNNXBMFYSA-N -1 3 397.700 3.841 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1[O-] ZINC000436923120 852504503 /nfs/dbraw/zinc/50/45/03/852504503.db2.gz ATIPXANNOWTXTN-UHFFFAOYSA-N -1 3 388.851 3.933 20 0 GHADHM Cc1csc2nc(C)nc(NC3CCN(C(=O)c4ccccc4[O-])CC3)c12 ZINC000436946343 852526980 /nfs/dbraw/zinc/52/69/80/852526980.db2.gz WWEPZUJESBDVHY-UHFFFAOYSA-N -1 3 382.489 3.730 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)sc1Cl ZINC000436946321 852527340 /nfs/dbraw/zinc/52/73/40/852527340.db2.gz PCHLKYVXNBQEES-UHFFFAOYSA-N -1 3 399.299 3.795 20 0 GHADHM COc1cccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)c1[O-] ZINC000436952173 852540505 /nfs/dbraw/zinc/54/05/05/852540505.db2.gz VZQLCHOQMBSPHQ-UHFFFAOYSA-N -1 3 379.185 3.943 20 0 GHADHM O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436954533 852545264 /nfs/dbraw/zinc/54/52/64/852545264.db2.gz WTQKYJCLNGSIFV-UHFFFAOYSA-N -1 3 391.427 3.668 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCO1 ZINC000489693352 852550167 /nfs/dbraw/zinc/55/01/67/852550167.db2.gz VPVQCWKUGFNFQN-MFKMUULPSA-N -1 3 399.406 3.596 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCCC[C@@H]2C)c1 ZINC000436961277 852550808 /nfs/dbraw/zinc/55/08/08/852550808.db2.gz GRDMIQHDZPOYLH-ZFWWWQNUSA-N -1 3 385.464 3.887 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000436970954 852552903 /nfs/dbraw/zinc/55/29/03/852552903.db2.gz HWPZNWNYPMWSKI-OAHLLOKOSA-N -1 3 380.448 3.643 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)c([O-])c1 ZINC000436972299 852553775 /nfs/dbraw/zinc/55/37/75/852553775.db2.gz NVCAXKYYOVZQRN-SJORKVTESA-N -1 3 390.524 3.728 20 0 GHADHM Cc1c2ccc(F)cc2sc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000437001299 852616566 /nfs/dbraw/zinc/61/65/66/852616566.db2.gz CPBFPRNSBDCHMC-UHFFFAOYSA-N -1 3 398.459 3.653 20 0 GHADHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000516481861 852625867 /nfs/dbraw/zinc/62/58/67/852625867.db2.gz SXYAYFGYZORFOU-LSDHHAIUSA-N -1 3 377.387 3.821 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(-c3nccs3)c2)CCCCC1 ZINC000427115328 852730338 /nfs/dbraw/zinc/73/03/38/852730338.db2.gz ULKOELKBVMCLPP-UHFFFAOYSA-N -1 3 394.518 3.675 20 0 GHADHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([O-])ccc1Cl ZINC000505970206 852742731 /nfs/dbraw/zinc/74/27/31/852742731.db2.gz GOHJNPYLYVIUHP-CQSZACIVSA-N -1 3 399.661 3.888 20 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AFJYEXAOZRBIIW-UHFFFAOYSA-N -1 3 379.189 3.511 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1OC ZINC000507543709 853033222 /nfs/dbraw/zinc/03/32/22/853033222.db2.gz ABTHZPFOPXYBLV-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)c2s[n-]c(=O)c2Cl)N(C)C)cc1 ZINC000490489387 853038476 /nfs/dbraw/zinc/03/84/76/853038476.db2.gz XJWYAGAAKCGUIA-AWEZNQCLSA-N -1 3 381.929 3.733 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cc(C(F)(F)F)on2)sc1Cl ZINC000490478650 853044980 /nfs/dbraw/zinc/04/49/80/853044980.db2.gz QBRGXGTYEKWJKD-UHFFFAOYSA-N -1 3 388.820 3.930 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1OC ZINC000507564289 853055690 /nfs/dbraw/zinc/05/56/90/853055690.db2.gz HUAZMABQTNLPBI-UHFFFAOYSA-N -1 3 397.468 3.667 20 0 GHADHM CNC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1F ZINC000507614009 853109396 /nfs/dbraw/zinc/10/93/96/853109396.db2.gz UPHYGIYOZNNGGQ-UHFFFAOYSA-N -1 3 393.484 3.920 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)o1 ZINC000490612484 853136387 /nfs/dbraw/zinc/13/63/87/853136387.db2.gz ZHZALOSGKQXURB-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000490632653 853153895 /nfs/dbraw/zinc/15/38/95/853153895.db2.gz RWYJFDYBUPWUIC-UHFFFAOYSA-N -1 3 382.791 3.696 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(C(F)(F)F)c3)nc21 ZINC000157777986 862435108 /nfs/dbraw/zinc/43/51/08/862435108.db2.gz GUALVPWMBGAUQW-UHFFFAOYSA-N -1 3 377.322 3.550 20 0 GHADHM COc1ccc(-c2ncc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)s2)cc1 ZINC000439023649 853194517 /nfs/dbraw/zinc/19/45/17/853194517.db2.gz XAUAOONHKROPGV-UHFFFAOYSA-N -1 3 376.441 3.883 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1cc(Cl)ccc1F ZINC000913302105 853224617 /nfs/dbraw/zinc/22/46/17/853224617.db2.gz NSAFNCVMUCSMFE-VIFPVBQESA-N -1 3 377.759 3.646 20 0 GHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000913302105 853224632 /nfs/dbraw/zinc/22/46/32/853224632.db2.gz NSAFNCVMUCSMFE-VIFPVBQESA-N 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853521034 /nfs/dbraw/zinc/52/10/34/853521034.db2.gz ANSSLYQZGDODPX-UHFFFAOYSA-N -1 3 388.059 3.991 20 0 GHADHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000586752382 853521632 /nfs/dbraw/zinc/52/16/32/853521632.db2.gz XCDZNTHHAHOGNL-IBGZPJMESA-N -1 3 377.444 3.611 20 0 GHADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000440702327 853543225 /nfs/dbraw/zinc/54/32/25/853543225.db2.gz DKZUAVCLYMLNBI-PHEKWQANSA-N -1 3 383.835 3.742 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)C2CCCCC2)cc1OC ZINC000437843105 853582819 /nfs/dbraw/zinc/58/28/19/853582819.db2.gz QKAOAKMFNJKTIR-ZDUSSCGKSA-N -1 3 383.514 3.547 20 0 GHADHM CCc1ccc(NC(=S)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000054959984 853616627 /nfs/dbraw/zinc/61/66/27/853616627.db2.gz YMFTVYFZDQSMAP-UHFFFAOYSA-N -1 3 396.285 3.782 20 0 GHADHM C[C@@]12CN(C(=O)NCc3ccc([O-])c(Br)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000518712285 853675718 /nfs/dbraw/zinc/67/57/18/853675718.db2.gz CPHPGTQSTXLHCB-COJSNBRMSA-N -1 3 377.282 3.508 20 0 GHADHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000506592338 853697696 /nfs/dbraw/zinc/69/76/96/853697696.db2.gz GKQQEDNCKDADBP-CYBMUJFWSA-N -1 3 388.272 3.692 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)s1 ZINC000519996791 853735626 /nfs/dbraw/zinc/73/56/26/853735626.db2.gz BSTXRKQCVKIUEP-CYBMUJFWSA-N -1 3 381.519 3.569 20 0 GHADHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000604762267 862502364 /nfs/dbraw/zinc/50/23/64/862502364.db2.gz ZUGQCAKMVRUECF-FQEVSTJZSA-N -1 3 386.517 3.866 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ncccc3Oc3ccccc3)nc21 ZINC000441056442 853875396 /nfs/dbraw/zinc/87/53/96/853875396.db2.gz YLGPWICLXRVRQO-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(CCCl)cc2)c1 ZINC000055663464 854050556 /nfs/dbraw/zinc/05/05/56/854050556.db2.gz UEFLFOPTTSILCP-UHFFFAOYSA-N -1 3 396.871 3.535 20 0 GHADHM O=c1cc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)nc(C2CC2)[n-]1 ZINC000417002175 854062842 /nfs/dbraw/zinc/06/28/42/854062842.db2.gz AGSPZIHSCUEPPC-OAHLLOKOSA-N -1 3 375.856 3.883 20 0 GHADHM Cc1ccc(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)cn1 ZINC000588007042 854069048 /nfs/dbraw/zinc/06/90/48/854069048.db2.gz DIGYWQNWVKMOQT-UHFFFAOYSA-N -1 3 391.656 3.870 20 0 GHADHM CC(C)c1ccccc1NC(=O)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000164610033 854094082 /nfs/dbraw/zinc/09/40/82/854094082.db2.gz YNUMFZMSYGMBTB-UHFFFAOYSA-N -1 3 394.258 3.517 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)o2)cc1 ZINC000473897444 854127307 /nfs/dbraw/zinc/12/73/07/854127307.db2.gz RMPXMECWAOMXPR-UHFFFAOYSA-N -1 3 387.399 3.505 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)o2)cc1 ZINC000473897444 854127315 /nfs/dbraw/zinc/12/73/15/854127315.db2.gz RMPXMECWAOMXPR-UHFFFAOYSA-N -1 3 387.399 3.505 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1Cl ZINC000156744082 854193602 /nfs/dbraw/zinc/19/36/02/854193602.db2.gz MOHFWDKJJDYSPT-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(F)cc2)sc1Cl ZINC000473902812 854210547 /nfs/dbraw/zinc/21/05/47/854210547.db2.gz RZKMKANCMLOUBI-AWEZNQCLSA-N -1 3 399.900 3.650 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473904969 854215882 /nfs/dbraw/zinc/21/58/82/854215882.db2.gz LRNLOAMPPFHTJS-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473904969 854215885 /nfs/dbraw/zinc/21/58/85/854215885.db2.gz LRNLOAMPPFHTJS-UHFFFAOYSA-N -1 3 376.247 3.669 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)sc1Cl ZINC000473915441 854243541 /nfs/dbraw/zinc/24/35/41/854243541.db2.gz LEXWCABBYPMVER-LBPRGKRZSA-N -1 3 377.915 3.995 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Cc2cncc3ccccc32)c([O-])c1 ZINC000498343281 854244129 /nfs/dbraw/zinc/24/41/29/854244129.db2.gz FZBOXONSRNEUKD-AWEZNQCLSA-N -1 3 378.428 3.934 20 0 GHADHM CCc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC000112629627 854278606 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GHADHM C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000623999211 862574499 /nfs/dbraw/zinc/57/44/99/862574499.db2.gz NRBGPZMSOUJNMN-CVEARBPZSA-N -1 3 384.505 3.633 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Br)cc3)nc2)n1 ZINC000068702790 854613228 /nfs/dbraw/zinc/61/32/28/854613228.db2.gz DZKGBBFZZAECIW-UHFFFAOYSA-N -1 3 385.265 3.769 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000729492846 854663174 /nfs/dbraw/zinc/66/31/74/854663174.db2.gz MNWWYZHOLMLFBM-KWQFWETISA-N -1 3 382.707 3.578 20 0 GHADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000126512519 854866785 /nfs/dbraw/zinc/86/67/85/854866785.db2.gz VPPGASJGAKMLNM-NSHDSACASA-N -1 3 383.286 3.568 20 0 GHADHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c([O-])c1 ZINC000070932398 854930232 /nfs/dbraw/zinc/93/02/32/854930232.db2.gz LMUYXBWWIVPLOA-UHFFFAOYSA-N -1 3 390.842 3.984 20 0 GHADHM CS(=O)(=O)[N-]c1cncc(-c2nc(C3CCC(c4ccccc4)CC3)no2)c1 ZINC000520973622 855095818 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396.491 3.971 20 0 GHADHM COCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000417558711 855578132 /nfs/dbraw/zinc/57/81/32/855578132.db2.gz VTQCGXBBIPNUMP-KRWDZBQOSA-N -1 3 378.266 3.901 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1CCC(C)C ZINC000427592684 855582276 /nfs/dbraw/zinc/58/22/76/855582276.db2.gz HAMTXTIZMVNJAE-UHFFFAOYSA-N -1 3 393.491 3.803 20 0 GHADHM O=S(=O)([N-]CCCN1CCCCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000614599023 855710594 /nfs/dbraw/zinc/71/05/94/855710594.db2.gz ABZBYHODEYYJMJ-UHFFFAOYSA-N -1 3 385.744 3.801 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c1Cl ZINC000614596279 855712501 /nfs/dbraw/zinc/71/25/01/855712501.db2.gz ABMADLUPGIXCED-ZDUSSCGKSA-N -1 3 393.361 3.945 20 0 GHADHM O=C([O-])CC[C@H]1CCCC[C@@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417633443 855764051 /nfs/dbraw/zinc/76/40/51/855764051.db2.gz UILVIEYHHPUCQS-PXAZEXFGSA-N -1 3 380.851 3.573 20 0 GHADHM C[C@H](Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1)c1ccccc1 ZINC000591177794 855791711 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GHADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccccc2)c1[O-] ZINC000031553521 856174655 /nfs/dbraw/zinc/17/46/55/856174655.db2.gz MHTMLTMZMCOMHM-UHFFFAOYSA-N -1 3 386.407 3.749 20 0 GHADHM CCc1nc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cs1 ZINC000520775549 856433340 /nfs/dbraw/zinc/43/33/40/856433340.db2.gz RQCQYNIMHYCPIZ-UHFFFAOYSA-N -1 3 399.950 3.961 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000485392606 856435217 /nfs/dbraw/zinc/43/52/17/856435217.db2.gz VETPPHANCZRDBI-GOSISDBHSA-N -1 3 379.453 3.801 20 0 GHADHM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485393344 856454336 /nfs/dbraw/zinc/45/43/36/856454336.db2.gz MOCMAWHOZWSDML-AWEZNQCLSA-N -1 3 379.453 3.595 20 0 GHADHM O=C(Nc1cccc(Br)c1F)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001168671993 856461935 /nfs/dbraw/zinc/46/19/35/856461935.db2.gz IPUWQXZHIPIJMO-UHFFFAOYSA-N -1 3 397.150 3.960 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)SC ZINC000771955242 875573268 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Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncnc4[nH]ccc43)cc2)cc1 ZINC000507950644 856735335 /nfs/dbraw/zinc/73/53/35/856735335.db2.gz ARYHAPOUJVSPNK-UHFFFAOYSA-N -1 3 380.429 3.859 20 0 GHADHM O=C(CCCc1cc(Cl)sc1Cl)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482222890 862835916 /nfs/dbraw/zinc/83/59/16/862835916.db2.gz UEPKDHFVOPETPT-UHFFFAOYSA-N -1 3 387.214 3.831 20 0 GHADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[n-]3)C2)C1 ZINC000542915381 856793689 /nfs/dbraw/zinc/79/36/89/856793689.db2.gz RYXSOUYEOJGTEI-BUXKBTBVSA-N -1 3 389.293 3.943 20 0 GHADHM Cc1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c(Br)c1 ZINC000436936436 856807590 /nfs/dbraw/zinc/80/75/90/856807590.db2.gz FTYWKQXZVGDGIV-UHFFFAOYSA-N -1 3 375.178 3.909 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C)CC2CCCCC2)cc1OC ZINC000485615310 856837599 /nfs/dbraw/zinc/83/75/99/856837599.db2.gz ORLDUBBQNQQJST-CQSZACIVSA-N -1 3 397.541 3.937 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cn1 ZINC000508058298 856862247 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CC(C)[C@H](C)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000112631321 857170103 /nfs/dbraw/zinc/17/01/03/857170103.db2.gz LDAIGWXHKKMVPN-NSHDSACASA-N -1 3 377.282 3.940 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1nc(C)cs1 ZINC000906582382 857181683 /nfs/dbraw/zinc/18/16/83/857181683.db2.gz MVJRBBWDODURAT-JTQLQIEISA-N -1 3 390.253 3.968 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000569195586 857188272 /nfs/dbraw/zinc/18/82/72/857188272.db2.gz LXFZEMGGJCRTRV-VNQPRFMTSA-N -1 3 391.899 3.594 20 0 GHADHM COc1cc(C(=O)NCc2nc3cc(Cl)ccc3s2)cc(OC)c1[O-] ZINC000485944054 857235848 /nfs/dbraw/zinc/23/58/48/857235848.db2.gz KFSASVBQLAOHAG-UHFFFAOYSA-N -1 3 378.837 3.603 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482273872 862888720 /nfs/dbraw/zinc/88/87/20/862888720.db2.gz YXMXSIUSFKHTKT-MLGOLLRUSA-N -1 3 385.302 3.549 20 0 GHADHM CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000120983589 857262165 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Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Br ZINC000486118100 857430723 /nfs/dbraw/zinc/43/07/23/857430723.db2.gz RXEYKFOVMBHNPG-UHFFFAOYSA-N -1 3 398.278 3.638 20 0 GHADHM O=C([N-]C1CCN(CC(F)F)CC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843779343 857444358 /nfs/dbraw/zinc/44/43/58/857444358.db2.gz QUABPZKIYIMDSR-UHFFFAOYSA-N -1 3 387.204 3.931 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C(F)F)CC3)nc(=O)c2c1C ZINC000486123900 857453741 /nfs/dbraw/zinc/45/37/41/857453741.db2.gz FQXWSZSQJUSPAE-JTQLQIEISA-N -1 3 399.463 3.508 20 0 GHADHM COc1ccc(N(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c(OC)c1 ZINC000907110728 857470292 /nfs/dbraw/zinc/47/02/92/857470292.db2.gz XPTJQPYZEIHWOU-UHFFFAOYSA-N -1 3 393.465 3.784 20 0 GHADHM O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000675607119 857518588 /nfs/dbraw/zinc/51/85/88/857518588.db2.gz BLCZQDQRMSLWJE-HXUWFJFHSA-N -1 3 392.499 3.504 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000675670342 857555792 /nfs/dbraw/zinc/55/57/92/857555792.db2.gz BFEIFLQUVKSFTK-CYBMUJFWSA-N -1 3 398.406 3.544 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]2CCCC[C@@H]12 ZINC000542991373 857585991 /nfs/dbraw/zinc/58/59/91/857585991.db2.gz BJTVJQXIDCXMMW-ZUCKAHLUSA-N -1 3 389.293 3.941 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000542991371 857586551 /nfs/dbraw/zinc/58/65/51/857586551.db2.gz BJTVJQXIDCXMMW-CJBNDPTMSA-N -1 3 389.293 3.941 20 0 GHADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442228708 857620910 /nfs/dbraw/zinc/62/09/10/857620910.db2.gz JZMNQNXJMWTVGV-UHFFFAOYSA-N -1 3 393.770 3.653 20 0 GHADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000672713466 857629883 /nfs/dbraw/zinc/62/98/83/857629883.db2.gz UJTOSKJTRAPIIS-UHFFFAOYSA-N -1 3 388.225 3.660 20 0 GHADHM CC(C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000521182624 857719720 /nfs/dbraw/zinc/71/97/20/857719720.db2.gz RAFRIQMVYGXPJQ-ZDUSSCGKSA-N -1 3 393.484 3.604 20 0 GHADHM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000442352740 857746384 /nfs/dbraw/zinc/74/63/84/857746384.db2.gz QIHGFUPXGFZQNE-UHFFFAOYSA-N -1 3 381.837 3.520 20 0 GHADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000521233609 857774354 /nfs/dbraw/zinc/77/43/54/857774354.db2.gz RSVGJTNTJBJHPU-UHFFFAOYSA-N -1 3 389.436 3.510 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)n[n-]2)o1 ZINC000733451064 862952651 /nfs/dbraw/zinc/95/26/51/862952651.db2.gz JUZNRMNWRHFOJW-CYBMUJFWSA-N -1 3 375.425 3.534 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)[n-]n2)o1 ZINC000733451064 862952667 /nfs/dbraw/zinc/95/26/67/862952667.db2.gz JUZNRMNWRHFOJW-CYBMUJFWSA-N -1 3 375.425 3.534 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3CC3CCCC3)nc(=O)c2c1C ZINC000594053544 857854896 /nfs/dbraw/zinc/85/48/96/857854896.db2.gz QZKHJWYFCMWWAG-CQSZACIVSA-N -1 3 389.521 3.624 20 0 GHADHM COc1ccc(C(=O)NCc2cc3cccnc3cc2Br)c([O-])c1 ZINC000676377601 857855888 /nfs/dbraw/zinc/85/58/88/857855888.db2.gz CZRVQWPBPLMWGU-UHFFFAOYSA-N -1 3 387.233 3.642 20 0 GHADHM CCc1cc(=O)[n-]c(CSCc2cn(-c3ccc(F)c(Cl)c3)nn2)n1 ZINC000543018219 857879357 /nfs/dbraw/zinc/87/93/57/857879357.db2.gz MVGBNPYKRBKNGC-UHFFFAOYSA-N -1 3 379.848 3.551 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000908044611 857906011 /nfs/dbraw/zinc/90/60/11/857906011.db2.gz BTIBVZWKAQGETG-SFHVURJKSA-N -1 3 395.356 3.789 20 0 GHADHM CCCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC000908091261 857914174 /nfs/dbraw/zinc/91/41/74/857914174.db2.gz KRVIIQISZHJACJ-PMACEKPBSA-N -1 3 386.536 3.781 20 0 GHADHM COc1ccc2occ(C(=O)NCc3ccc([O-])c(Br)c3)c2c1 ZINC000442637974 858002485 /nfs/dbraw/zinc/00/24/85/858002485.db2.gz YXJJTUQDGZBJCL-UHFFFAOYSA-N -1 3 376.206 3.840 20 0 GHADHM CO[C@@](C)(C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CC1 ZINC000486718516 858020340 /nfs/dbraw/zinc/02/03/40/858020340.db2.gz ULCNLMJPBBTGRV-MRXNPFEDSA-N -1 3 398.688 3.668 20 0 GHADHM CCOc1cc(Br)c(F)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908301445 858034858 /nfs/dbraw/zinc/03/48/58/858034858.db2.gz HGCKMOKEZVUHDD-UHFFFAOYSA-N -1 3 396.216 3.612 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1cnccc1C(F)(F)F ZINC000442749267 858109412 /nfs/dbraw/zinc/10/94/12/858109412.db2.gz MFQGHXPIXRAQEZ-PELKAZGASA-N -1 3 394.777 3.727 20 0 GHADHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c(F)cc(F)cc1F ZINC000158032547 858163381 /nfs/dbraw/zinc/16/33/81/858163381.db2.gz ZKYGINOGPBNVIB-CQSZACIVSA-N -1 3 398.812 3.857 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1 ZINC000066588237 858200632 /nfs/dbraw/zinc/20/06/32/858200632.db2.gz DWFZIBBXCAQEQW-UHFFFAOYSA-N -1 3 381.519 3.766 20 0 GHADHM CC[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000066646542 858226076 /nfs/dbraw/zinc/22/60/76/858226076.db2.gz CBKYCZKQQPGYSZ-OAHLLOKOSA-N -1 3 390.505 3.675 20 0 GHADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000443086458 858344834 /nfs/dbraw/zinc/34/48/34/858344834.db2.gz NDGMIRQUOBTDRX-INIZCTEOSA-N -1 3 396.534 3.729 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000682528978 858349452 /nfs/dbraw/zinc/34/94/52/858349452.db2.gz QMMCVQMXNKDZNU-SFHVURJKSA-N -1 3 399.384 3.806 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)sc1Br ZINC000443090784 858349950 /nfs/dbraw/zinc/34/99/50/858349950.db2.gz WYJRRGOOWXMIJW-UHFFFAOYSA-N -1 3 399.335 3.821 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(OC2CCCC2)cc1 ZINC000062156429 863022410 /nfs/dbraw/zinc/02/24/10/863022410.db2.gz IOPWYKGMWOYXPV-UHFFFAOYSA-N -1 3 375.446 3.580 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)s1 ZINC000443175134 858444024 /nfs/dbraw/zinc/44/40/24/858444024.db2.gz HRBRYAHBXXGADM-VIFPVBQESA-N -1 3 376.297 3.564 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)CCc3cccn3C)cc2)cc(=O)[n-]1 ZINC000466141042 858461997 /nfs/dbraw/zinc/46/19/97/858461997.db2.gz CFSMPTTUWANXSB-AWEZNQCLSA-N -1 3 379.464 3.639 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@H]2CCC[C@@H](C)C2)[nH][n-]1 ZINC000522141254 858663154 /nfs/dbraw/zinc/66/31/54/858663154.db2.gz PJORMRMDBCXZSG-OCCSQVGLSA-N -1 3 377.872 3.694 20 0 GHADHM COc1cc([C@H](C)/N=C\c2cc(Br)ccc2[O-])ccc1OCCO ZINC000126946947 858682977 /nfs/dbraw/zinc/68/29/77/858682977.db2.gz SNMNNQMQFZQYGW-OEKFUPINSA-N -1 3 394.265 3.715 20 0 GHADHM NC(=O)[C@@H](Sc1nnc([N-]c2ccccc2F)s1)c1ccc(F)cc1 ZINC000010428198 858742354 /nfs/dbraw/zinc/74/23/54/858742354.db2.gz PCCYFABTDAWRFO-ZDUSSCGKSA-N -1 3 378.429 3.879 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000673344440 858763185 /nfs/dbraw/zinc/76/31/85/858763185.db2.gz IMODZFVBWHEBSR-UHFFFAOYSA-N -1 3 388.292 3.578 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C(=O)OC(C)(C)C)CCC3)nc2)n1 ZINC000596559208 858935466 /nfs/dbraw/zinc/93/54/66/858935466.db2.gz IYEBMWJNTPRTIN-UHFFFAOYSA-N -1 3 384.480 3.731 20 0 GHADHM Cc1ccc(OCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)c1 ZINC000068225060 858942260 /nfs/dbraw/zinc/94/22/60/858942260.db2.gz DKMFNYYHQXNMLB-UHFFFAOYSA-N -1 3 377.444 3.770 20 0 GHADHM CC[C@@]1(C)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2O1 ZINC000443574147 858976125 /nfs/dbraw/zinc/97/61/25/858976125.db2.gz KPJCPSUKOBXOCG-ZHRRBRCNSA-N -1 3 396.443 3.533 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc(OC2CCCCC2)cc1 ZINC000482936190 858985117 /nfs/dbraw/zinc/98/51/17/858985117.db2.gz JFQAPRHZGGHBFW-UHFFFAOYSA-N -1 3 397.401 3.534 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C(=O)OC(C)(C)C)CCC3)c2)n1 ZINC000596823625 859108730 /nfs/dbraw/zinc/10/87/30/859108730.db2.gz RSAGBGUHUPSELD-UHFFFAOYSA-N -1 3 397.475 3.862 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C2CCCCCC2)cc1OC ZINC000068597634 859111777 /nfs/dbraw/zinc/11/17/77/859111777.db2.gz QEJXRVPYFLPKED-UHFFFAOYSA-N -1 3 383.514 3.643 20 0 GHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000194591714 859131509 /nfs/dbraw/zinc/13/15/09/859131509.db2.gz YWBIIYNBTDGWSM-CQSZACIVSA-N -1 3 376.412 3.841 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000483176024 859191032 /nfs/dbraw/zinc/19/10/32/859191032.db2.gz JKRJWAYMYBDHIG-AWEZNQCLSA-N -1 3 385.365 3.693 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000429379678 859191449 /nfs/dbraw/zinc/19/14/49/859191449.db2.gz ACQREBCCSYKMOA-KRWDZBQOSA-N -1 3 376.298 3.920 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000483181913 859193948 /nfs/dbraw/zinc/19/39/48/859193948.db2.gz HAOHVWVSYPLRNN-AWEZNQCLSA-N -1 3 381.402 3.944 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C)=C(C)C3)nc(=O)c2c1C ZINC000483367811 859318227 /nfs/dbraw/zinc/31/82/27/859318227.db2.gz BPKGADMBVKSZMS-CYBMUJFWSA-N -1 3 375.494 3.573 20 0 GHADHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000069093067 859338969 /nfs/dbraw/zinc/33/89/69/859338969.db2.gz LLNLHLFIEFYTQG-CQSZACIVSA-N -1 3 385.316 3.546 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)c(C)c1C ZINC000117228531 859355473 /nfs/dbraw/zinc/35/54/73/859355473.db2.gz PJKLSBOSULUIRL-UHFFFAOYSA-N -1 3 390.505 3.641 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1OC ZINC000483479713 859402621 /nfs/dbraw/zinc/40/26/21/859402621.db2.gz WAWXLNBWBWMRDL-DZGCQCFKSA-N -1 3 397.541 3.793 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000483540905 859437676 /nfs/dbraw/zinc/43/76/76/859437676.db2.gz HXXHIPMKILYIST-SWLSCSKDSA-N -1 3 381.402 3.815 20 0 GHADHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cnn1-c1ccccc1 ZINC000543372122 859441217 /nfs/dbraw/zinc/44/12/17/859441217.db2.gz MCPDYHSISOYROU-UHFFFAOYSA-N -1 3 376.420 3.764 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483559590 859450106 /nfs/dbraw/zinc/45/01/06/859450106.db2.gz NDVJWYOPOYWISD-UHFFFAOYSA-N -1 3 393.772 3.738 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(CCc1ccccc1)C1CCCC1 ZINC000483562989 859453245 /nfs/dbraw/zinc/45/32/45/859453245.db2.gz PWRMXGLUQROUDD-UHFFFAOYSA-N -1 3 381.402 3.520 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1Br ZINC000499743032 859463760 /nfs/dbraw/zinc/46/37/60/859463760.db2.gz OMKDDZCXVMLZFM-VIFPVBQESA-N -1 3 386.233 3.692 20 0 GHADHM O=c1[n-]c(CN(CCO)[C@@H]2CCCc3ccccc32)nc2c3ccccc3oc21 ZINC000114192837 859491174 /nfs/dbraw/zinc/49/11/74/859491174.db2.gz PEQHYTFXMWXNAR-GOSISDBHSA-N -1 3 389.455 3.541 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 ZINC000114313590 859541314 /nfs/dbraw/zinc/54/13/14/859541314.db2.gz ANBDWEPFFAUCJF-UHFFFAOYSA-N -1 3 387.461 3.881 20 0 GHADHM CC[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000739256909 859567460 /nfs/dbraw/zinc/56/74/60/859567460.db2.gz CDFBKNWCNMEPCP-IBGZPJMESA-N -1 3 382.464 3.735 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673503963 859627387 /nfs/dbraw/zinc/62/73/87/859627387.db2.gz NEMMDJLTEIKTHQ-FPXQBCRKSA-N -1 3 383.492 3.696 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])c1scnc1C1CC1 ZINC000611168528 859632472 /nfs/dbraw/zinc/63/24/72/859632472.db2.gz AYDXMUMWBRKWNR-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-])c1ccco1 ZINC000069693103 859640124 /nfs/dbraw/zinc/64/01/24/859640124.db2.gz HXUVQGNOTMFKFJ-INIZCTEOSA-N -1 3 384.819 3.618 20 0 GHADHM O=c1ccccn1CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000611192518 859643590 /nfs/dbraw/zinc/64/35/90/859643590.db2.gz ZXFWOVKNUWADPB-UHFFFAOYSA-N -1 3 385.470 3.752 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c(=O)[n-]1 ZINC000118231061 859767024 /nfs/dbraw/zinc/76/70/24/859767024.db2.gz SMVKNYQPXUUHSP-UHFFFAOYSA-N -1 3 398.850 3.799 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)c(C)c1 ZINC000484065684 859795591 /nfs/dbraw/zinc/79/55/91/859795591.db2.gz ADMAVBBOBOWCIC-UHFFFAOYSA-N -1 3 379.478 3.945 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ncc(-c2ccccc2)o1 ZINC000481014605 859796414 /nfs/dbraw/zinc/79/64/14/859796414.db2.gz ZIZNIKHBGPPMAG-NSHDSACASA-N -1 3 397.378 3.795 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000765167442 859815590 /nfs/dbraw/zinc/81/55/90/859815590.db2.gz PJHKTAMNQLIOAZ-OAHLLOKOSA-N -1 3 394.707 3.833 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000668323841 859869303 /nfs/dbraw/zinc/86/93/03/859869303.db2.gz CUQFALCTBRBVQW-LLVKDONJSA-N -1 3 390.427 3.986 20 0 GHADHM COc1ccccc1OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000053210849 859897113 /nfs/dbraw/zinc/89/71/13/859897113.db2.gz CKVXCFNDHOKMAB-UHFFFAOYSA-N -1 3 394.456 3.701 20 0 GHADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484247832 859898701 /nfs/dbraw/zinc/89/87/01/859898701.db2.gz PLOKDCVIYPRZPB-UHFFFAOYSA-N -1 3 397.381 3.716 20 0 GHADHM COc1ccccc1-c1nc(C(=O)[N-]c2sccc2S(C)(=O)=O)cs1 ZINC000118688824 859900354 /nfs/dbraw/zinc/90/03/54/859900354.db2.gz SDUYBWAGHHVFRL-UHFFFAOYSA-N -1 3 394.499 3.536 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)cs2)cc1 ZINC001141841577 859947370 /nfs/dbraw/zinc/94/73/70/859947370.db2.gz JEASAARVINUXMX-UHFFFAOYSA-N -1 3 390.472 3.729 20 0 GHADHM CCc1ccc(-c2nc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)cs2)cc1 ZINC001141841577 859947379 /nfs/dbraw/zinc/94/73/79/859947379.db2.gz JEASAARVINUXMX-UHFFFAOYSA-N -1 3 390.472 3.729 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cc2cccc(F)c2o1 ZINC000474391589 859981548 /nfs/dbraw/zinc/98/15/48/859981548.db2.gz JCWRVBWYPIGZEY-SNVBAGLBSA-N -1 3 395.383 3.537 20 0 GHADHM COc1cccc(CSC[C@@H](NCc2cc(C)cnc2Cl)C(=O)[O-])c1 ZINC000904003542 860036746 /nfs/dbraw/zinc/03/67/46/860036746.db2.gz JDYWDYWDAITREK-MRXNPFEDSA-N -1 3 380.897 3.528 20 0 GHADHM CCC(CC)c1nnc([N-]C(=O)c2sc(-c3cnn(C)c3)nc2C)s1 ZINC000115003036 860037773 /nfs/dbraw/zinc/03/77/73/860037773.db2.gz DEYSCBOKPHUYRG-UHFFFAOYSA-N -1 3 376.511 3.859 20 0 GHADHM O=S(=O)(C=Cc1ccccc1Br)[N-]c1cccc2n[nH]cc21 ZINC000727358881 860052123 /nfs/dbraw/zinc/05/21/23/860052123.db2.gz ZAHLMMOMWQKJIP-CMDGGOBGSA-N -1 3 378.251 3.738 20 0 GHADHM O=C([O-])C[C@H](NCc1ccc(Br)s1)c1ccc2c(c1)OCO2 ZINC000904045491 860064595 /nfs/dbraw/zinc/06/45/95/860064595.db2.gz OWWRJTWYAFJGHV-NSHDSACASA-N -1 3 384.251 3.545 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000436549708 860068159 /nfs/dbraw/zinc/06/81/59/860068159.db2.gz VNHASBYPIJOUJY-UHFFFAOYSA-N -1 3 389.713 3.968 20 0 GHADHM O=C(CCCc1ccc(Cl)c(Cl)c1)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742805 860073996 /nfs/dbraw/zinc/07/39/96/860073996.db2.gz NBQLBHDCYXERNC-UHFFFAOYSA-N -1 3 395.286 3.568 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436557380 860075069 /nfs/dbraw/zinc/07/50/69/860075069.db2.gz RFJHHQPMIPIZIO-UHFFFAOYSA-N -1 3 384.432 3.635 20 0 GHADHM CCOCC[C@@H](NCc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000904068829 860090532 /nfs/dbraw/zinc/09/05/32/860090532.db2.gz ZAGLSSNWNCMBIW-MRXNPFEDSA-N -1 3 393.915 3.793 20 0 GHADHM Cc1cccc(N2CCN(CCC(=O)Nc3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC000474449192 860121487 /nfs/dbraw/zinc/12/14/87/860121487.db2.gz UOFCDBOLGOAQBF-UHFFFAOYSA-N -1 3 391.874 3.644 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000727540693 860129535 /nfs/dbraw/zinc/12/95/35/860129535.db2.gz XSDJZFLWSCMDEG-QGZVFWFLSA-N -1 3 391.514 3.506 20 0 GHADHM O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc([O-])c2ccccc2c1 ZINC000527175432 860170705 /nfs/dbraw/zinc/17/07/05/860170705.db2.gz UJVOZENIODTUTH-UHFFFAOYSA-N -1 3 397.232 3.509 20 0 GHADHM CS(=O)(=O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1Cl ZINC000527184260 860170899 /nfs/dbraw/zinc/17/08/99/860170899.db2.gz WHYQZWSOLJBGBV-UHFFFAOYSA-N -1 3 389.860 3.532 20 0 GHADHM O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471699590 860172746 /nfs/dbraw/zinc/17/27/46/860172746.db2.gz AIHIIACFMORSBV-UHFFFAOYSA-N -1 3 393.418 3.674 20 0 GHADHM CCN(CCNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1C ZINC000904210479 860211493 /nfs/dbraw/zinc/21/14/93/860211493.db2.gz VLVRRXHFKREXLI-UHFFFAOYSA-N -1 3 385.508 3.505 20 0 GHADHM FC1(F)CCC[C@@H](N=c2cc(N[C@@H]3CCCC(F)(F)C3)n3[n-]cnc3n2)C1 ZINC000530529110 860227690 /nfs/dbraw/zinc/22/76/90/860227690.db2.gz KSHDJGRKOWSKTJ-VXGBXAGGSA-N -1 3 386.397 3.526 20 0 GHADHM O=C(Cc1ccco1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000531714805 860232288 /nfs/dbraw/zinc/23/22/88/860232288.db2.gz WVNMVIQXRMLMST-UHFFFAOYSA-N -1 3 380.629 3.689 20 0 GHADHM CC(C)(C)c1nc(CCNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cs1 ZINC000904228067 860253680 /nfs/dbraw/zinc/25/36/80/860253680.db2.gz OUNUWTDMBMKUDS-UHFFFAOYSA-N -1 3 391.537 3.667 20 0 GHADHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C1CC1)C1CC1 ZINC000602753372 860257092 /nfs/dbraw/zinc/25/70/92/860257092.db2.gz GAOQPANWLUAHKJ-UHFFFAOYSA-N -1 3 375.266 3.551 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602754203 860258823 /nfs/dbraw/zinc/25/88/23/860258823.db2.gz PHRXGLLYQZIURP-VXGBXAGGSA-N -1 3 377.282 3.847 20 0 GHADHM COc1cccc2c1OCCC[C@H]2NCc1ncc(Br)cc1[O-] ZINC000896023321 860269961 /nfs/dbraw/zinc/26/99/61/860269961.db2.gz ZVXWBXHKVWUAIY-CYBMUJFWSA-N -1 3 379.254 3.562 20 0 GHADHM COc1cccc2c1OCCC[C@@H]2NCc1ncc(Br)cc1[O-] ZINC000896023322 860270140 /nfs/dbraw/zinc/27/01/40/860270140.db2.gz ZVXWBXHKVWUAIY-ZDUSSCGKSA-N -1 3 379.254 3.562 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN[C@@H]3[C@H]4Cc5cc(Cl)ccc5[C@@H]34)o2)CC1 ZINC000904253768 860291417 /nfs/dbraw/zinc/29/14/17/860291417.db2.gz RXKICEINWDMVKY-DFQSSKMNSA-N -1 3 386.879 3.662 20 0 GHADHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000484779997 860345027 /nfs/dbraw/zinc/34/50/27/860345027.db2.gz BEKAQATXURITRX-ZJUUUORDSA-N -1 3 384.386 3.853 20 0 GHADHM O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1nc(-c2ccccc2)cs1 ZINC000195014334 860349769 /nfs/dbraw/zinc/34/97/69/860349769.db2.gz DIGXYJLUEAZTDL-UHFFFAOYSA-N -1 3 388.499 3.631 20 0 GHADHM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436573621 860364565 /nfs/dbraw/zinc/36/45/65/860364565.db2.gz IWGFZHFORMVQHC-UHFFFAOYSA-N -1 3 379.412 3.907 20 0 GHADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000006436361 860396494 /nfs/dbraw/zinc/39/64/94/860396494.db2.gz XEZFVPBEWAIDMT-KBXCAEBGSA-N -1 3 390.480 3.935 20 0 GHADHM CSCc1cccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000603045450 860455442 /nfs/dbraw/zinc/45/54/42/860455442.db2.gz TUSKZHCXPIJWLC-UHFFFAOYSA-N -1 3 392.834 3.705 20 0 GHADHM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598691957 860519775 /nfs/dbraw/zinc/51/97/75/860519775.db2.gz YRYIUWYYEAJNHO-GFCCVEGCSA-N -1 3 387.398 3.995 20 0 GHADHM CCCCc1nc(NC(=O)CCc2cccc(OC)c2F)c(C(=O)OCC)[n-]1 ZINC001127964195 860533253 /nfs/dbraw/zinc/53/32/53/860533253.db2.gz BTTVTVRETJDPOD-UHFFFAOYSA-N -1 3 391.443 3.648 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2nscc2Br)c(F)cc1C ZINC001272274865 860577228 /nfs/dbraw/zinc/57/72/28/860577228.db2.gz QEXYEQDRUGQVAN-UHFFFAOYSA-N -1 3 387.230 3.782 20 0 GHADHM Cc1ccc(NC(=O)c2cccn2C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000125440098 860669273 /nfs/dbraw/zinc/66/92/73/860669273.db2.gz ZWNNOADWMLFJCP-UHFFFAOYSA-N -1 3 387.436 3.526 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(F)c([C@H](C)O)c3)cc2)cc(=O)[n-]1 ZINC000796649744 860722206 /nfs/dbraw/zinc/72/22/06/860722206.db2.gz ICHZUMKPJARQRG-NSHDSACASA-N -1 3 382.395 3.994 20 0 GHADHM CC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nc(C)cs1 ZINC000640293707 881574434 /nfs/dbraw/zinc/57/44/34/881574434.db2.gz VVJWXUOGRNNNNM-SECBINFHSA-N -1 3 381.811 3.558 20 0 GHADHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)Cc2ccccc2O1 ZINC000489797137 860755468 /nfs/dbraw/zinc/75/54/68/860755468.db2.gz ZSBFTINSVYGBBM-GFCCVEGCSA-N -1 3 391.265 3.647 20 0 GHADHM COc1cc(-c2nc3cc(Br)cnc3[nH]2)cc(Br)c1[O-] ZINC000102579120 860765404 /nfs/dbraw/zinc/76/54/04/860765404.db2.gz YEFBHKPEFQMTJD-UHFFFAOYSA-N -1 3 399.042 3.864 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c1Cl ZINC000603506041 860776727 /nfs/dbraw/zinc/77/67/27/860776727.db2.gz DMKNAJAATNHPQG-HNNXBMFYSA-N -1 3 386.300 3.894 20 0 GHADHM Brc1ccc(-c2noc([N-]Cc3nc4c(s3)COCC4)n2)cc1 ZINC000896541261 860959908 /nfs/dbraw/zinc/95/99/08/860959908.db2.gz YHWUHGVGRXYJIB-UHFFFAOYSA-N -1 3 393.266 3.640 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000329030493 860961283 /nfs/dbraw/zinc/96/12/83/860961283.db2.gz AUHMAXRMIAGILS-NSHDSACASA-N -1 3 383.819 3.739 20 0 GHADHM O=C(NCc1ccc(OCc2ccccn2)cc1)NCc1ccc([O-])c(F)c1 ZINC000157120888 861053225 /nfs/dbraw/zinc/05/32/25/861053225.db2.gz YZRDBPIQQAOMEN-UHFFFAOYSA-N -1 3 381.407 3.505 20 0 GHADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000177200384 861172999 /nfs/dbraw/zinc/17/29/99/861172999.db2.gz DJFGOEUVIZGZSC-GOSISDBHSA-N -1 3 398.434 3.706 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)cc(Cl)c2O1 ZINC000605493128 863112479 /nfs/dbraw/zinc/11/24/79/863112479.db2.gz VWTDXMIZQOQYPB-SSDOTTSWSA-N -1 3 377.771 3.882 20 0 GHADHM Cc1csc([C@@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C2CC2)n1 ZINC000640294275 881633508 /nfs/dbraw/zinc/63/35/08/881633508.db2.gz BDHCRCGQIGGDSC-JTQLQIEISA-N -1 3 393.822 3.558 20 0 GHADHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(F)cc1 ZINC000444058115 863232831 /nfs/dbraw/zinc/23/28/31/863232831.db2.gz OMMXRIHKTBEQKN-HNNXBMFYSA-N -1 3 397.493 3.520 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1COc1ccccc1 ZINC000120614685 881639725 /nfs/dbraw/zinc/63/97/25/881639725.db2.gz OCEDQEOMZCINOH-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1COc1ccccc1 ZINC000120614685 881639738 /nfs/dbraw/zinc/63/97/38/881639738.db2.gz OCEDQEOMZCINOH-UHFFFAOYSA-N -1 3 385.427 3.622 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3cccc(C)n3)c2)cc1 ZINC000475054325 863300292 /nfs/dbraw/zinc/30/02/92/863300292.db2.gz NPHNPHBAPIDEJN-UHFFFAOYSA-N -1 3 383.473 3.812 20 0 GHADHM COc1cc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc(OC)c1[O-] ZINC000182806192 863362232 /nfs/dbraw/zinc/36/22/32/863362232.db2.gz IITFPVMJUXIMNV-OAHLLOKOSA-N -1 3 391.292 3.721 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cc1Cl ZINC000062553925 863554048 /nfs/dbraw/zinc/55/40/48/863554048.db2.gz VTLVQRIJECSDFV-AWEZNQCLSA-N -1 3 380.897 3.674 20 0 GHADHM CCOc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(OCC)c1OCC ZINC000606537408 863693847 /nfs/dbraw/zinc/69/38/47/863693847.db2.gz PXDIYTVZZKNRGM-UHFFFAOYSA-N -1 3 377.412 3.657 20 0 GHADHM Cc1ccc(-n2nc(C(=O)NCc3ccc([O-])c(F)c3)c3c2CCC3)c(C)c1 ZINC000606536807 863695205 /nfs/dbraw/zinc/69/52/05/863695205.db2.gz KBNXACNQIUPFDI-UHFFFAOYSA-N -1 3 379.435 3.753 20 0 GHADHM CSc1ccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000172517883 863710199 /nfs/dbraw/zinc/71/01/99/863710199.db2.gz ZUJXXHMNYPELQQ-UHFFFAOYSA-N -1 3 380.469 3.791 20 0 GHADHM C[C@H](Cc1ccc(Br)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606644780 863744944 /nfs/dbraw/zinc/74/49/44/863744944.db2.gz CYODDXGQFKZCPV-LLVKDONJSA-N -1 3 381.245 3.724 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCSc3ccc(OC)cc3)nc21 ZINC000444252397 863758626 /nfs/dbraw/zinc/75/86/26/863758626.db2.gz NSPYECIFUOUDCZ-UHFFFAOYSA-N -1 3 399.472 3.869 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000132743986 881695258 /nfs/dbraw/zinc/69/52/58/881695258.db2.gz GSYNPSDDXOBVRU-GHMZBOCLSA-N -1 3 378.310 3.706 20 0 GHADHM CC(C)Oc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000158564208 863874248 /nfs/dbraw/zinc/87/42/48/863874248.db2.gz DRPNGMAXSNBHPT-UHFFFAOYSA-N -1 3 393.281 3.941 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000444319791 864172496 /nfs/dbraw/zinc/17/24/96/864172496.db2.gz QDACOWRKBVMREB-UKRRQHHQSA-N -1 3 390.480 3.853 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1ccc(Cl)cc1F ZINC000030421534 864414669 /nfs/dbraw/zinc/41/46/69/864414669.db2.gz KAPGWGCQLYHLBI-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000734789427 864453718 /nfs/dbraw/zinc/45/37/18/864453718.db2.gz SJMZQQPFNHZQKV-HNNXBMFYSA-N -1 3 396.528 3.555 20 0 GHADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C(=O)Nc2c(C)onc2CC)s1 ZINC000120812036 881768060 /nfs/dbraw/zinc/76/80/60/881768060.db2.gz VOJKIALKSQKJIY-UHFFFAOYSA-N -1 3 388.449 3.970 20 0 GHADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(NC(=O)c2ccccc2)c1 ZINC000163526367 864530731 /nfs/dbraw/zinc/53/07/31/864530731.db2.gz KNKOLNBYGSARNU-AWEZNQCLSA-N -1 3 385.427 3.701 20 0 GHADHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000671168973 864749732 /nfs/dbraw/zinc/74/97/32/864749732.db2.gz HLMYYCKGETZEHO-UHFFFAOYSA-N -1 3 378.675 3.525 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000607907463 864861027 /nfs/dbraw/zinc/86/10/27/864861027.db2.gz DFJACZXGDCTBGA-MRXNPFEDSA-N -1 3 395.425 3.536 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000607907461 864861326 /nfs/dbraw/zinc/86/13/26/864861326.db2.gz DFJACZXGDCTBGA-INIZCTEOSA-N -1 3 395.425 3.536 20 0 GHADHM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C ZINC001211897102 864992961 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GHADHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(C)c1)c1nc(C(F)(F)F)cs1 ZINC000173838466 865146944 /nfs/dbraw/zinc/14/69/44/865146944.db2.gz RQTGPDDVPLPLKY-VIFPVBQESA-N -1 3 399.847 3.948 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000622738747 865172359 /nfs/dbraw/zinc/17/23/59/865172359.db2.gz FPKUBJWSDDAUCB-SNVBAGLBSA-N -1 3 384.263 3.616 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736376117 865192944 /nfs/dbraw/zinc/19/29/44/865192944.db2.gz JRHMBPGRRJXWJQ-MRXNPFEDSA-N -1 3 398.492 3.667 20 0 GHADHM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736376117 865192948 /nfs/dbraw/zinc/19/29/48/865192948.db2.gz JRHMBPGRRJXWJQ-MRXNPFEDSA-N -1 3 398.492 3.667 20 0 GHADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1c1ccccc1Br ZINC000828197425 865235285 /nfs/dbraw/zinc/23/52/85/865235285.db2.gz GUJRYVBUJOUCTH-HNNXBMFYSA-N -1 3 388.265 3.799 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3csc(N4CCCC4)n3)nc2)n1 ZINC000301405029 865341945 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ZINC000479134450 867199884 /nfs/dbraw/zinc/19/98/84/867199884.db2.gz ULEXYCYLSLYNBC-UHFFFAOYSA-N -1 3 393.578 3.696 20 0 GHADHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553429834 867385020 /nfs/dbraw/zinc/38/50/20/867385020.db2.gz VOMXWXZLOVVLQO-JQWIXIFHSA-N -1 3 387.420 3.677 20 0 GHADHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553437186 867399072 /nfs/dbraw/zinc/39/90/72/867399072.db2.gz PVKZHIKTXHOAJD-VIFPVBQESA-N -1 3 383.388 3.695 20 0 GHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000183711046 867431790 /nfs/dbraw/zinc/43/17/90/867431790.db2.gz VIZKEXKNZBGSED-CQSZACIVSA-N -1 3 389.886 3.617 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1ccc(Cl)cc1C(F)(F)F ZINC000180596519 867511336 /nfs/dbraw/zinc/51/13/36/867511336.db2.gz PIEBSVOFBGEGTN-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1cc(Br)ccc1Cl ZINC000180605395 867531169 /nfs/dbraw/zinc/53/11/69/867531169.db2.gz STSJUHQRENNZCA-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000534829115 867557086 /nfs/dbraw/zinc/55/70/86/867557086.db2.gz JLZGRTCIBZHDCZ-UHFFFAOYSA-N -1 3 375.808 3.824 20 0 GHADHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C[C@H](C)O1 ZINC000553560597 867659394 /nfs/dbraw/zinc/65/93/94/867659394.db2.gz QWWZMPZBOACULM-ZSBIGDGJSA-N -1 3 399.406 3.596 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)s1 ZINC000479407895 867730289 /nfs/dbraw/zinc/73/02/89/867730289.db2.gz MXVLYSQTQCRWJI-CMPLNLGQSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000534947968 867813937 /nfs/dbraw/zinc/81/39/37/867813937.db2.gz ITPUIXIKZQUNSI-UHFFFAOYSA-N -1 3 381.427 3.831 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000155576589 867955876 /nfs/dbraw/zinc/95/58/76/867955876.db2.gz UONRTTLHFFDJRZ-NSHDSACASA-N -1 3 399.843 3.741 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(Cl)cc1F ZINC000523862900 868159827 /nfs/dbraw/zinc/15/98/27/868159827.db2.gz CKNJHNDBWWYYRG-CQSZACIVSA-N -1 3 386.851 3.566 20 0 GHADHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000155997700 868213864 /nfs/dbraw/zinc/21/38/64/868213864.db2.gz MBKVTCOXSMNIDE-UHFFFAOYSA-N -1 3 393.292 3.593 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c(C)cc1F ZINC000793389524 882165370 /nfs/dbraw/zinc/16/53/70/882165370.db2.gz WTTYNTNNTCOUPZ-UHFFFAOYSA-N -1 3 397.493 3.627 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ccccc3)[C@H]3CCCO3)nc2)n1 ZINC000172145335 882173495 /nfs/dbraw/zinc/17/34/95/882173495.db2.gz ATRRUVXPFMTEQM-WIYYLYMNSA-N -1 3 376.460 3.727 20 0 GHADHM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2nc(Br)cs2)c1 ZINC000857300051 882185613 /nfs/dbraw/zinc/18/56/13/882185613.db2.gz HYWXINKRIVMXFD-UHFFFAOYSA-N -1 3 384.255 3.508 20 0 GHADHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000156713608 868444974 /nfs/dbraw/zinc/44/49/74/868444974.db2.gz LYOKAPBXDRTKAV-OCCSQVGLSA-N -1 3 388.316 3.826 20 0 GHADHM CCn1cc(Br)cc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479776269 868474646 /nfs/dbraw/zinc/47/46/46/868474646.db2.gz SUSLSUYTWDLMNT-UHFFFAOYSA-N -1 3 396.195 3.586 20 0 GHADHM Cc1noc(Cl)c1CC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000524047509 868483703 /nfs/dbraw/zinc/48/37/03/868483703.db2.gz CXXRCJVRFDWWRW-UHFFFAOYSA-N -1 3 385.638 3.936 20 0 GHADHM CSC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000553935176 868497358 /nfs/dbraw/zinc/49/73/58/868497358.db2.gz UHCRQPLFKVMLSQ-LLVKDONJSA-N -1 3 395.322 3.506 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535366828 868633931 /nfs/dbraw/zinc/63/39/31/868633931.db2.gz LNVYWPAZNIHHMY-HKUYNNGSSA-N -1 3 388.464 3.604 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3nc4ccccc4o3)c2)n1 ZINC000744218001 868672587 /nfs/dbraw/zinc/67/25/87/868672587.db2.gz HPAQOPWPEKWXIJ-UHFFFAOYSA-N -1 3 375.384 3.837 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000128340461 868674769 /nfs/dbraw/zinc/67/47/69/868674769.db2.gz FLKCZDLKMRRJIR-ZDUSSCGKSA-N -1 3 388.855 3.570 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432687 882220195 /nfs/dbraw/zinc/22/01/95/882220195.db2.gz FEIXODVJFXZWKG-GVXVVHGQSA-N -1 3 381.826 3.833 20 0 GHADHM COc1ccc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)cn1 ZINC000744315813 868752383 /nfs/dbraw/zinc/75/23/83/868752383.db2.gz HRZJCQYDIBWDCR-UHFFFAOYSA-N -1 3 388.221 3.600 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648433356 882223290 /nfs/dbraw/zinc/22/32/90/882223290.db2.gz ZAVNENMHDAKZAD-SECBINFHSA-N -1 3 393.818 3.649 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc([C@@H]2CCCOC2)c1 ZINC000648432187 882227401 /nfs/dbraw/zinc/22/74/01/882227401.db2.gz SOSMEBMXIYLUAB-CYBMUJFWSA-N -1 3 387.789 3.667 20 0 GHADHM Cc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Br ZINC000457866560 868868932 /nfs/dbraw/zinc/86/89/32/868868932.db2.gz ICUJAVGINWKFPG-UHFFFAOYSA-N -1 3 392.297 3.789 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1C ZINC000005330058 882245356 /nfs/dbraw/zinc/24/53/56/882245356.db2.gz FIXDQTLZAQTCEY-UHFFFAOYSA-N -1 3 388.489 3.630 20 0 GHADHM C[C@@H](CS(=O)(=O)[N-]c1ccccc1NC(=O)N1CCCC1)c1ccccc1 ZINC000133484919 882247325 /nfs/dbraw/zinc/24/73/25/882247325.db2.gz MTHZXCLWCUOZBO-INIZCTEOSA-N -1 3 387.505 3.860 20 0 GHADHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1F ZINC000524409472 869031007 /nfs/dbraw/zinc/03/10/07/869031007.db2.gz NYKHQBKOTKIDJH-ZDUSSCGKSA-N -1 3 388.917 3.656 20 0 GHADHM COc1ccccc1Oc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000445875789 869107787 /nfs/dbraw/zinc/10/77/87/869107787.db2.gz PKWSBMDVXFWHHQ-ZDUSSCGKSA-N -1 3 380.322 3.865 20 0 GHADHM Cc1nc(C(F)(F)F)sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000462248476 869120175 /nfs/dbraw/zinc/12/01/75/869120175.db2.gz XNGKTXGBNKUDOU-UHFFFAOYSA-N -1 3 395.200 3.868 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000445988049 869240212 /nfs/dbraw/zinc/24/02/12/869240212.db2.gz KYQCJZRPHWTLDB-LBPRGKRZSA-N -1 3 385.729 3.905 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000737559840 869319614 /nfs/dbraw/zinc/31/96/14/869319614.db2.gz AOUDYGOVQSCLTJ-MNOVXSKESA-N -1 3 375.404 3.565 20 0 GHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000737559840 869319626 /nfs/dbraw/zinc/31/96/26/869319626.db2.gz AOUDYGOVQSCLTJ-MNOVXSKESA-N -1 3 375.404 3.565 20 0 GHADHM O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857490368 882295625 /nfs/dbraw/zinc/29/56/25/882295625.db2.gz NBECBNZBRNKIDL-UHFFFAOYSA-N -1 3 398.312 3.623 20 0 GHADHM Cc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000524711235 869479019 /nfs/dbraw/zinc/47/90/19/869479019.db2.gz JRNPLXBBAIEQSG-UHFFFAOYSA-N -1 3 378.397 3.699 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)s1 ZINC000462555094 869670357 /nfs/dbraw/zinc/67/03/57/869670357.db2.gz RLCLSSUXIPGNHV-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM COC(=O)Nc1ccc(C(=O)O[C@H](C)c2nc(-c3ccccc3)no2)cc1[O-] ZINC000745653704 869722721 /nfs/dbraw/zinc/72/27/21/869722721.db2.gz TVHMZJKDUSZONC-LLVKDONJSA-N -1 3 383.360 3.539 20 0 GHADHM CN1CCC[C@@H](SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1=O ZINC000539804980 869815769 /nfs/dbraw/zinc/81/57/69/869815769.db2.gz HWNSHBCEHUTFIA-GFCCVEGCSA-N -1 3 375.475 3.511 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC(c2ccc(Cl)cc2)C1 ZINC000640299313 882362778 /nfs/dbraw/zinc/36/27/78/882362778.db2.gz RWIBMVLBPOBUPB-UHFFFAOYSA-N -1 3 393.196 3.805 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)cc2c1OCC2 ZINC000462777183 870045875 /nfs/dbraw/zinc/04/58/75/870045875.db2.gz SZHQKWPMYGLKBU-UHFFFAOYSA-N -1 3 382.641 3.673 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2cscn2)c([O-])c1 ZINC000539971993 870136429 /nfs/dbraw/zinc/13/64/29/870136429.db2.gz UBBGZRPUIAFNRA-UHFFFAOYSA-N -1 3 398.440 3.857 20 0 GHADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1c(C)nn(C)c1C ZINC000525266637 870273045 /nfs/dbraw/zinc/27/30/45/870273045.db2.gz AQHYXPBPKOOUII-KRWDZBQOSA-N -1 3 394.479 3.781 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(c3noc4ccccc43)CC2)c([O-])c1 ZINC001192313645 870279371 /nfs/dbraw/zinc/27/93/71/870279371.db2.gz GBRFGBRKFPFMCH-UHFFFAOYSA-N -1 3 379.460 3.793 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001192314483 870281298 /nfs/dbraw/zinc/28/12/98/870281298.db2.gz RMPVAHBXGUMTLN-PBHICJAKSA-N -1 3 377.378 3.557 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCN(c3nccc4occc43)CC2)c([O-])c1 ZINC001192322651 870286603 /nfs/dbraw/zinc/28/66/03/870286603.db2.gz IIMBLLNMGMEPBH-UHFFFAOYSA-N -1 3 379.460 3.793 20 0 GHADHM COc1c(C)cccc1C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001212326803 870462459 /nfs/dbraw/zinc/46/24/59/870462459.db2.gz VAXQQGKXTNOLNO-UHFFFAOYSA-N -1 3 394.802 3.549 20 0 GHADHM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192528950 870488763 /nfs/dbraw/zinc/48/87/63/870488763.db2.gz BLIVTJOZPRFKFC-UHFFFAOYSA-N -1 3 394.667 3.749 20 0 GHADHM CSc1nc(Cl)c(C(=O)[N-]c2cccc3c2C(=O)N=NC3=O)c(Cl)n1 ZINC001192628029 870575253 /nfs/dbraw/zinc/57/52/53/870575253.db2.gz OAABYMRFJRGKPR-UHFFFAOYSA-N -1 3 396.215 3.504 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccccc1 ZINC000538758649 870580593 /nfs/dbraw/zinc/58/05/93/870580593.db2.gz CBGQNZMAHHPQRG-GFCCVEGCSA-N -1 3 390.288 3.668 20 0 GHADHM CCN(CC(C)(C)C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000462985987 870597057 /nfs/dbraw/zinc/59/70/57/870597057.db2.gz JOOITBVHOPAYJN-UHFFFAOYSA-N -1 3 383.448 3.501 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC001192805333 870684592 /nfs/dbraw/zinc/68/45/92/870684592.db2.gz GXSWNLKIDRDVLR-UHFFFAOYSA-N -1 3 388.258 3.960 20 0 GHADHM COCCCCc1cccnc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000463026835 870686818 /nfs/dbraw/zinc/68/68/18/870686818.db2.gz ARTZBIHHMMLYSF-UHFFFAOYSA-N -1 3 383.423 3.592 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)sc1Br ZINC001212335880 870753073 /nfs/dbraw/zinc/75/30/73/870753073.db2.gz IISNBPHECMJHDL-NSHDSACASA-N -1 3 394.356 3.589 20 0 GHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(F)(F)F ZINC000446955839 870766384 /nfs/dbraw/zinc/76/63/84/870766384.db2.gz DVEWKIJYNMWQCJ-VFZGTOFNSA-N -1 3 386.395 3.661 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000617871415 870984378 /nfs/dbraw/zinc/98/43/78/870984378.db2.gz AJJJXUXEHWLOQJ-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c[n-]1 ZINC000617871415 870984388 /nfs/dbraw/zinc/98/43/88/870984388.db2.gz AJJJXUXEHWLOQJ-UHFFFAOYSA-N -1 3 376.825 3.616 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccns1 ZINC001193299259 871011304 /nfs/dbraw/zinc/01/13/04/871011304.db2.gz VEUYATTUMNOVNA-LURJTMIESA-N -1 3 399.694 3.738 20 0 GHADHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1OCc1ccccc1 ZINC000128070638 871061230 /nfs/dbraw/zinc/06/12/30/871061230.db2.gz YLRJVYFAMFGWSQ-UHFFFAOYSA-N -1 3 390.399 3.905 20 0 GHADHM O=S(=O)([N-]c1cnc(C2CC2)nc1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000103059900 871161059 /nfs/dbraw/zinc/16/10/59/871161059.db2.gz ZLHHGGHVEKPCHC-UHFFFAOYSA-N -1 3 393.415 3.684 20 0 GHADHM CC(=O)N1CCC[C@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000867083425 871164132 /nfs/dbraw/zinc/16/41/32/871164132.db2.gz HWNRYTZQRRQJHK-SFHVURJKSA-N -1 3 379.416 3.705 20 0 GHADHM CC(=O)c1cnn(-c2ccc(-c3nc4cc(Cl)ccc4c(=O)[n-]3)cc2)c1C ZINC000463230267 871205172 /nfs/dbraw/zinc/20/51/72/871205172.db2.gz QTHWHQBIZQQVRN-UHFFFAOYSA-N -1 3 378.819 3.940 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)[nH][n-]1 ZINC000540421455 871238283 /nfs/dbraw/zinc/23/82/83/871238283.db2.gz GKOFSKDUPUNPEK-QFIPXVFZSA-N -1 3 390.487 3.649 20 0 GHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCN(c2noc3ccccc32)CC1 ZINC001193733210 871249943 /nfs/dbraw/zinc/24/99/43/871249943.db2.gz HMKQVYWBNHBVNW-UHFFFAOYSA-N -1 3 391.349 3.515 20 0 GHADHM C[C@](O)(C1CCN(C(=O)c2ccc([O-])cc2C(F)(F)F)CC1)C(F)(F)F ZINC001193746260 871288594 /nfs/dbraw/zinc/28/85/94/871288594.db2.gz RNGNJHKENPKKGS-AWEZNQCLSA-N -1 3 385.304 3.577 20 0 GHADHM COC(=O)c1ccc(N(C(=O)c2ccc([O-])cc2C(F)(F)F)C2CC2)c(N)c1 ZINC001193747516 871288661 /nfs/dbraw/zinc/28/86/61/871288661.db2.gz KBWYSHCWJSIQQE-UHFFFAOYSA-N -1 3 394.349 3.589 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccc(OCc3ccccc3)cc2F)[n-]1 ZINC001193828465 871330793 /nfs/dbraw/zinc/33/07/93/871330793.db2.gz KYLJNYJSIDMTOO-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccc(OCc3ccccc3)cc2F)c[n-]1 ZINC001193828465 871330812 /nfs/dbraw/zinc/33/08/12/871330812.db2.gz KYLJNYJSIDMTOO-UHFFFAOYSA-N -1 3 383.379 3.557 20 0 GHADHM C[C@@H](CC1CCC1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001169249840 871348421 /nfs/dbraw/zinc/34/84/21/871348421.db2.gz FAONMPHGLLAWCG-AWEZNQCLSA-N -1 3 390.480 3.935 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000525753926 871389457 /nfs/dbraw/zinc/38/94/57/871389457.db2.gz YFECIJZUZLMKKP-OLZOCXBDSA-N -1 3 390.233 3.668 20 0 GHADHM CCCC[C@@H](CC)COC(=O)Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001193951487 871396283 /nfs/dbraw/zinc/39/62/83/871396283.db2.gz RSXBGOTXVUXQFE-CQSZACIVSA-N -1 3 383.489 3.889 20 0 GHADHM Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc([O-])cc3)cn2)c1C ZINC000525769582 871405389 /nfs/dbraw/zinc/40/53/89/871405389.db2.gz GZUWTYXUPWURIB-UHFFFAOYSA-N -1 3 391.427 3.565 20 0 GHADHM O=C([N-][C@H]1CCCCC12OCCO2)C(F)(F)c1cc(Cl)ccc1Cl ZINC001127650076 871416791 /nfs/dbraw/zinc/41/67/91/871416791.db2.gz RQAVHWSBMJDQEV-ZDUSSCGKSA-N -1 3 380.218 3.887 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NCCCc1ccc(C(F)(F)F)cc1 ZINC001169355442 871448802 /nfs/dbraw/zinc/44/88/02/871448802.db2.gz ASEKMDSVHNWEQW-UHFFFAOYSA-N -1 3 377.370 3.939 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NCCCc1ccc(C(F)(F)F)cc1 ZINC001169355442 871448810 /nfs/dbraw/zinc/44/88/10/871448810.db2.gz ASEKMDSVHNWEQW-UHFFFAOYSA-N -1 3 377.370 3.939 20 0 GHADHM O=S(=O)([N-]CCCCF)c1csc(-c2cccc(Br)c2)n1 ZINC000462126413 871622788 /nfs/dbraw/zinc/62/27/88/871622788.db2.gz AUFUHWZXHXLMMG-UHFFFAOYSA-N -1 3 393.303 3.601 20 0 GHADHM O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc12 ZINC001194371695 871642693 /nfs/dbraw/zinc/64/26/93/871642693.db2.gz KHANYKNGEIYHPA-UHFFFAOYSA-N -1 3 388.754 3.812 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000667226681 871672372 /nfs/dbraw/zinc/67/23/72/871672372.db2.gz OJJNXYVCHCMCOQ-UHFFFAOYSA-N -1 3 396.512 3.556 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3F)C2)sc1Cl ZINC000462144364 871674599 /nfs/dbraw/zinc/67/45/99/871674599.db2.gz YWVWMJFLTRCGAR-GFCCVEGCSA-N -1 3 388.917 3.654 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2ccc(Br)cc2)CCC1 ZINC000525966791 871813180 /nfs/dbraw/zinc/81/31/80/871813180.db2.gz XKEQVHKNDBMZOA-HNNXBMFYSA-N -1 3 390.281 3.506 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ncc(Cl)cc1Br ZINC001194602110 871828363 /nfs/dbraw/zinc/82/83/63/871828363.db2.gz FXFPBRWDDUDDOI-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM CCOC(=O)c1cc2cc(Br)c(NCc3ncccc3[O-])cc2[nH]1 ZINC001169733728 871829573 /nfs/dbraw/zinc/82/95/73/871829573.db2.gz YHVPUSCYWZKYDN-UHFFFAOYSA-N -1 3 390.237 3.820 20 0 GHADHM O=C(Nc1cccc2ncc(Br)cc21)c1cnc(C(F)(F)F)[n-]1 ZINC001194782391 871928384 /nfs/dbraw/zinc/92/83/84/871928384.db2.gz QXZVHNGYWSGXDY-UHFFFAOYSA-N -1 3 385.143 3.992 20 0 GHADHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)o1 ZINC000857817453 882563936 /nfs/dbraw/zinc/56/39/36/882563936.db2.gz PEXXUVWLPPYOAQ-UHFFFAOYSA-N -1 3 398.484 3.851 20 0 GHADHM CCCc1ccc(C(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)cc1 ZINC000447672837 872071962 /nfs/dbraw/zinc/07/19/62/872071962.db2.gz WAARBUJILJYDBN-UHFFFAOYSA-N -1 3 392.459 3.531 20 0 GHADHM CCCc1ccc(C(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)cc1 ZINC000447672837 872071983 /nfs/dbraw/zinc/07/19/83/872071983.db2.gz WAARBUJILJYDBN-UHFFFAOYSA-N -1 3 392.459 3.531 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c3ccccc23)cc1F ZINC001194980995 872083439 /nfs/dbraw/zinc/08/34/39/872083439.db2.gz BBHZVEATUIVPMO-UHFFFAOYSA-N -1 3 376.384 3.742 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)c(Br)c1 ZINC001194986633 872090206 /nfs/dbraw/zinc/09/02/06/872090206.db2.gz XVUDDILSYUXEPX-UHFFFAOYSA-N -1 3 392.278 3.756 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cscc1Br)c1c(F)cccc1F ZINC001195087132 872164912 /nfs/dbraw/zinc/16/49/12/872164912.db2.gz XRXCNIQUTRWOSH-ZETCQYMHSA-N -1 3 382.251 3.828 20 0 GHADHM CC[C@@](C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000618960374 872175661 /nfs/dbraw/zinc/17/56/61/872175661.db2.gz JMZZKGMHLXUHLQ-NFBKMPQASA-N -1 3 380.488 3.948 20 0 GHADHM CC(C)N1CC[C@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540823169 872255877 /nfs/dbraw/zinc/25/58/77/872255877.db2.gz XTQKBPBDXVYYEY-ZWKOTPCHSA-N -1 3 377.847 3.534 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(OC)c2)c(C)c1 ZINC000447776650 872264650 /nfs/dbraw/zinc/26/46/50/872264650.db2.gz CLKXEXTZLIFBFC-UHFFFAOYSA-N -1 3 375.368 3.832 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000151549634 872277263 /nfs/dbraw/zinc/27/72/63/872277263.db2.gz RKKLKTYXMDBMDQ-QGZVFWFLSA-N -1 3 389.455 3.581 20 0 GHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cn(Cc4cccs4)nn3)s2)c(C)c1 ZINC000463658404 872313201 /nfs/dbraw/zinc/31/32/01/872313201.db2.gz QIJRSSIMDQWVRO-UHFFFAOYSA-N -1 3 396.501 3.776 20 0 GHADHM O=C(c1cc([O-])cnc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001195305976 872326525 /nfs/dbraw/zinc/32/65/25/872326525.db2.gz QVHFSSBRZLDECH-UHFFFAOYSA-N -1 3 394.818 3.588 20 0 GHADHM CCCOc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1OC ZINC000463695344 872357463 /nfs/dbraw/zinc/35/74/63/872357463.db2.gz IRUWEAKEJVTLEL-UHFFFAOYSA-N -1 3 387.860 3.755 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)s2)cc1 ZINC000526959311 872359101 /nfs/dbraw/zinc/35/91/01/872359101.db2.gz DYVNIRDUQYZZGI-MRXNPFEDSA-N -1 3 398.488 3.766 20 0 GHADHM Cc1ccc([O-])c(C(=O)NCC2(Cc3ccccn3)CCC(F)(F)CC2)n1 ZINC001195335624 872360586 /nfs/dbraw/zinc/36/05/86/872360586.db2.gz MPFWQRHEWVLRED-UHFFFAOYSA-N -1 3 375.419 3.659 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000552274277 872369895 /nfs/dbraw/zinc/36/98/95/872369895.db2.gz JRCVQEDIJOHQFF-SFYZADRCSA-N -1 3 375.053 3.643 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000552274428 872370906 /nfs/dbraw/zinc/37/09/06/872370906.db2.gz UBESJQLTZXMJQA-RKDXNWHRSA-N -1 3 375.053 3.643 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000552274278 872370961 /nfs/dbraw/zinc/37/09/61/872370961.db2.gz JRCVQEDIJOHQFF-YUMQZZPRSA-N -1 3 375.053 3.643 20 0 GHADHM CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(Br)cc1[O-])CC2 ZINC000526981125 872412112 /nfs/dbraw/zinc/41/21/12/872412112.db2.gz GGZBGYSGPMLILK-SNVBAGLBSA-N -1 3 378.270 3.745 20 0 GHADHM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C2 ZINC000526981125 872412121 /nfs/dbraw/zinc/41/21/21/872412121.db2.gz GGZBGYSGPMLILK-SNVBAGLBSA-N -1 3 378.270 3.745 20 0 GHADHM CSCCO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000794180524 882611414 /nfs/dbraw/zinc/61/14/14/882611414.db2.gz KHTRKXQFPZMWLB-UHFFFAOYSA-N -1 3 375.277 3.992 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC000537641865 882619592 /nfs/dbraw/zinc/61/95/92/882619592.db2.gz CPKXKVZMQXCZDD-UHFFFAOYSA-N -1 3 397.818 3.954 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1cnn(C)c1 ZINC001195620981 872513857 /nfs/dbraw/zinc/51/38/57/872513857.db2.gz ILUMCQCVIMEUDD-CYBMUJFWSA-N -1 3 380.272 3.542 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)c1 ZINC000122580017 882624046 /nfs/dbraw/zinc/62/40/46/882624046.db2.gz IPTLFZRIPKROSL-UHFFFAOYSA-N -1 3 388.489 3.814 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)c(=O)[n-]1 ZINC000552394484 872560506 /nfs/dbraw/zinc/56/05/06/872560506.db2.gz RYDYENVQJTVJMV-UHFFFAOYSA-N -1 3 393.512 3.599 20 0 GHADHM CCCS(=O)(=O)Nc1cc(NC(=O)c2cccc(CC)c2[O-])c(F)cc1F ZINC000552384300 872577754 /nfs/dbraw/zinc/57/77/54/872577754.db2.gz YJMFZTVESKWLMZ-UHFFFAOYSA-N -1 3 398.431 3.637 20 0 GHADHM O=S(=O)([N-]c1c(Cl)nc(Cl)cc1C(F)(F)F)c1ccc(O)cc1 ZINC001195763075 872622531 /nfs/dbraw/zinc/62/25/31/872622531.db2.gz LFAYEIXGIRSOPI-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM O=S(=O)(Nc1c(Cl)nc(Cl)cc1C(F)(F)F)c1ccc([O-])cc1 ZINC001195763075 872622537 /nfs/dbraw/zinc/62/25/37/872622537.db2.gz LFAYEIXGIRSOPI-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)[n-]1 ZINC000619446771 872634804 /nfs/dbraw/zinc/63/48/04/872634804.db2.gz XJCFVFVXMGBGAJ-UHFFFAOYSA-N -1 3 399.834 3.924 20 0 GHADHM CCOC(=O)c1nc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)c[n-]1 ZINC000619446771 872634819 /nfs/dbraw/zinc/63/48/19/872634819.db2.gz XJCFVFVXMGBGAJ-UHFFFAOYSA-N -1 3 399.834 3.924 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)[n-]1 ZINC000619448280 872636662 /nfs/dbraw/zinc/63/66/62/872636662.db2.gz KQOMDJHSOQVNMO-UHFFFAOYSA-N -1 3 382.247 3.954 20 0 GHADHM CCOC(=O)c1nc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)c[n-]1 ZINC000619448280 872636669 /nfs/dbraw/zinc/63/66/69/872636669.db2.gz KQOMDJHSOQVNMO-UHFFFAOYSA-N -1 3 382.247 3.954 20 0 GHADHM COC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc([O-])cc3)cc2)c1 ZINC001195802686 872673331 /nfs/dbraw/zinc/67/33/31/872673331.db2.gz JEDXMOJPCLIKAN-UHFFFAOYSA-N -1 3 399.424 3.772 20 0 GHADHM COC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cc2)c1 ZINC001195802686 872673340 /nfs/dbraw/zinc/67/33/40/872673340.db2.gz JEDXMOJPCLIKAN-UHFFFAOYSA-N -1 3 399.424 3.772 20 0 GHADHM O=S(=O)(N[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc([O-])cc1 ZINC001195818992 872692279 /nfs/dbraw/zinc/69/22/79/872692279.db2.gz XYUYSEICENFUKP-ZDUSSCGKSA-N -1 3 399.312 3.993 20 0 GHADHM C[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccccc1NC(=O)OC(C)(C)C ZINC001195824847 872697325 /nfs/dbraw/zinc/69/73/25/872697325.db2.gz ACBJUVMEXFEXKR-CYBMUJFWSA-N -1 3 392.477 3.779 20 0 GHADHM NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000794249577 882647619 /nfs/dbraw/zinc/64/76/19/882647619.db2.gz OEGKSZOIQAPXOV-UHFFFAOYSA-N -1 3 392.383 3.602 20 0 GHADHM CS(=O)(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001195930220 872762653 /nfs/dbraw/zinc/76/26/53/872762653.db2.gz NJOUFFMMEFZIFZ-UHFFFAOYSA-N -1 3 385.416 3.854 20 0 GHADHM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cccc2n[n-]nc21 ZINC000527202707 872802584 /nfs/dbraw/zinc/80/25/84/872802584.db2.gz UEVUMMUDSFYIBO-UHFFFAOYSA-N -1 3 378.329 3.577 20 0 GHADHM Cc1sc2[n-]c(CS(=O)(=O)C3CC3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000527209690 872811860 /nfs/dbraw/zinc/81/18/60/872811860.db2.gz KGAKONGESNNUPL-UHFFFAOYSA-N -1 3 378.450 3.589 20 0 GHADHM COc1cc(C(=O)NCCCCOc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000478315561 872813452 /nfs/dbraw/zinc/81/34/52/872813452.db2.gz OILJMMUTKAGLDC-UHFFFAOYSA-N -1 3 379.840 3.652 20 0 GHADHM COC(=O)c1ccc(COc2ccc(C=Cc3nccc(=O)[n-]3)cc2OC)cc1 ZINC000742221275 872839372 /nfs/dbraw/zinc/83/93/72/872839372.db2.gz HMLIHTQIMVXPAN-POHAHGRESA-N -1 3 392.411 3.727 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C3CC3)c2)cc1 ZINC000619652976 872847866 /nfs/dbraw/zinc/84/78/66/872847866.db2.gz FGWMWZPOUWYODT-MRXNPFEDSA-N -1 3 386.517 3.880 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCCC1)c1c(F)cccc1OC(F)(F)F ZINC001196121619 872907529 /nfs/dbraw/zinc/90/75/29/872907529.db2.gz TYJOTSRYQLQMGB-RYUDHWBXSA-N -1 3 381.391 3.829 20 0 GHADHM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1)c1ccc(Br)cn1 ZINC001196174513 872931443 /nfs/dbraw/zinc/93/14/43/872931443.db2.gz SSPIYFQMMCIOOB-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000541110304 872957737 /nfs/dbraw/zinc/95/77/37/872957737.db2.gz WXDOPKQWTQOXPU-MRXNPFEDSA-N -1 3 382.363 3.924 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1)c1cccc(Br)n1 ZINC001196341549 873043295 /nfs/dbraw/zinc/04/32/95/873043295.db2.gz RKNBODAOTCVKFK-AWEZNQCLSA-N -1 3 381.295 3.664 20 0 GHADHM Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1[N-]C(=O)c1snnc1CO ZINC001196358202 873053863 /nfs/dbraw/zinc/05/38/63/873053863.db2.gz HHXHNIYKZVZJAO-UHFFFAOYSA-N -1 3 386.182 3.917 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)cc(=O)[n-]1 ZINC000527369696 873065779 /nfs/dbraw/zinc/06/57/79/873065779.db2.gz TZRDXUFKHKZABS-IBGZPJMESA-N -1 3 382.464 3.581 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2C(F)(F)F)C2CC2)c(F)c1 ZINC001196407442 873096155 /nfs/dbraw/zinc/09/61/55/873096155.db2.gz YALPHLGIDRMSHJ-OAHLLOKOSA-N -1 3 388.386 3.978 20 0 GHADHM C=Cc1ccc(CNC(=O)c2cc([O-])cc(I)c2)cc1 ZINC001196428933 873110493 /nfs/dbraw/zinc/11/04/93/873110493.db2.gz RZOLSWNIXKUTGP-UHFFFAOYSA-N -1 3 379.197 3.570 20 0 GHADHM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000183061308 873168465 /nfs/dbraw/zinc/16/84/65/873168465.db2.gz DTFXXCJLRGSJBB-UHFFFAOYSA-N -1 3 393.336 3.576 20 0 GHADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499915 873184763 /nfs/dbraw/zinc/18/47/63/873184763.db2.gz HNWUOUKSDLAETM-CQSZACIVSA-N -1 3 390.415 3.646 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000367770629 873230480 /nfs/dbraw/zinc/23/04/80/873230480.db2.gz DMCXYXYNSWQCET-SNVBAGLBSA-N -1 3 397.378 3.853 20 0 GHADHM O=C([N-]c1noc2cccnc21)c1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC001196611113 873251723 /nfs/dbraw/zinc/25/17/23/873251723.db2.gz BSEGBZLBEOLBSU-UHFFFAOYSA-N -1 3 389.358 3.559 20 0 GHADHM Cc1ccc(-n2c(SCc3nc(C)cc(=O)[n-]3)nnc2-c2ccco2)cc1 ZINC000768411123 873275844 /nfs/dbraw/zinc/27/58/44/873275844.db2.gz HPASYEWKORTQGK-UHFFFAOYSA-N -1 3 379.445 3.932 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000527558819 873303032 /nfs/dbraw/zinc/30/30/32/873303032.db2.gz GMSXDIQMSJCVFR-UHFFFAOYSA-N -1 3 389.377 3.855 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(OCC(F)F)cc1 ZINC000541304168 873323126 /nfs/dbraw/zinc/32/31/26/873323126.db2.gz PFWBKSZHELEPKI-UHFFFAOYSA-N -1 3 393.358 3.775 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1Cl ZINC000464206622 873395806 /nfs/dbraw/zinc/39/58/06/873395806.db2.gz NYMYQRPYZJPXIW-UHFFFAOYSA-N -1 3 395.761 3.659 20 0 GHADHM CC(C)COc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1 ZINC001196885305 873428312 /nfs/dbraw/zinc/42/83/12/873428312.db2.gz OWYSZKHFXPXYRE-FQEVSTJZSA-N -1 3 393.487 3.630 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@H](C(C)(C)C)C3)nc(=O)c2c1C ZINC000541389825 873462660 /nfs/dbraw/zinc/46/26/60/873462660.db2.gz MVDVAKRCQKXWOU-CHWSQXEVSA-N -1 3 391.537 3.899 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CC(F)C3)ccc2C)c(C)c1 ZINC000541501575 873719008 /nfs/dbraw/zinc/71/90/08/873719008.db2.gz WQNNNXZCXWJCIA-UHFFFAOYSA-N -1 3 390.480 3.515 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1 ZINC000122896932 882754694 /nfs/dbraw/zinc/75/46/94/882754694.db2.gz XUTOUUCUNSLWKW-UHFFFAOYSA-N -1 3 384.363 3.946 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccc2F)c1 ZINC001197389660 873760290 /nfs/dbraw/zinc/76/02/90/873760290.db2.gz CBRWHQWQWHLOTO-UHFFFAOYSA-N -1 3 395.452 3.732 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@]3(C)Br)c2)n1 ZINC000528029567 873893682 /nfs/dbraw/zinc/89/36/82/873893682.db2.gz JQONWMHMNIBDDY-SUMWQHHRSA-N -1 3 376.254 3.524 20 0 GHADHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000509220639 873914398 /nfs/dbraw/zinc/91/43/98/873914398.db2.gz YDMAPNWJCCEVLC-WDEREUQCSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1nc(-c2ccccc2)cs1 ZINC000160583002 874224194 /nfs/dbraw/zinc/22/41/94/874224194.db2.gz SMBMYKDGGBUUBQ-UHFFFAOYSA-N -1 3 380.441 3.708 20 0 GHADHM CCOCc1nc(C)c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)s1 ZINC000448939072 874260907 /nfs/dbraw/zinc/26/09/07/874260907.db2.gz VQSYCTHNYHHTSX-UHFFFAOYSA-N -1 3 392.481 3.822 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc([C@@H](C)CC)cc3)CC2)n[n-]1 ZINC000769767859 874266963 /nfs/dbraw/zinc/26/69/63/874266963.db2.gz CRNLLOVWTLEDBX-AWEZNQCLSA-N -1 3 384.480 3.515 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc([C@@H](C)CC)cc3)CC2)[n-]1 ZINC000769767859 874266970 /nfs/dbraw/zinc/26/69/70/874266970.db2.gz CRNLLOVWTLEDBX-AWEZNQCLSA-N -1 3 384.480 3.515 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2c1cccc2OC(F)(F)F)c1cccc(Cl)n1 ZINC001198254889 874314097 /nfs/dbraw/zinc/31/40/97/874314097.db2.gz PTSKIWHMXVXMKJ-NSHDSACASA-N -1 3 392.786 3.599 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C[C@H]3c2ccccc2)cn1 ZINC001198317117 874349378 /nfs/dbraw/zinc/34/93/78/874349378.db2.gz BSQGFJVYVYZOBX-FQEVSTJZSA-N -1 3 393.512 3.768 20 0 GHADHM COc1ccc(CC(=O)[N-]O[C@H](C)CCSc2ccccc2)cc1OC ZINC000769879824 874349707 /nfs/dbraw/zinc/34/97/07/874349707.db2.gz XRUSGIIDLXIKPC-OAHLLOKOSA-N -1 3 375.490 3.865 20 0 GHADHM CCCN(C(=O)c1ccc(OC)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000770036230 874417419 /nfs/dbraw/zinc/41/74/19/874417419.db2.gz LQXAWSUTGUODIF-UHFFFAOYSA-N -1 3 392.496 3.653 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CC1CC1)c1ccc(F)cc1 ZINC001198729288 874585235 /nfs/dbraw/zinc/58/52/35/874585235.db2.gz WOFMXSAVWMPDNY-CQSZACIVSA-N -1 3 384.860 3.702 20 0 GHADHM CC(=CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000775906837 874674040 /nfs/dbraw/zinc/67/40/40/874674040.db2.gz HKYGHLJFYPPLBF-VMPITWQZSA-N -1 3 378.276 3.562 20 0 GHADHM COc1ccc(-c2ccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c(F)c2)cc1 ZINC000775907071 874674092 /nfs/dbraw/zinc/67/40/92/874674092.db2.gz DVPCQWLCYITVNW-UHFFFAOYSA-N -1 3 394.328 3.568 20 0 GHADHM NC(=O)c1sc(-c2ccsc2)cc1[N-]C(=O)c1cnoc1C(F)(F)F ZINC001199049974 874776566 /nfs/dbraw/zinc/77/65/66/874776566.db2.gz RROVQMLFJGSRHM-UHFFFAOYSA-N -1 3 387.364 3.835 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775934929 874795872 /nfs/dbraw/zinc/79/58/72/874795872.db2.gz SIEKIQHSCNBKHJ-CQSZACIVSA-N -1 3 379.865 3.800 20 0 GHADHM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc([O-])cc(Br)c1 ZINC000528763801 875026501 /nfs/dbraw/zinc/02/65/01/875026501.db2.gz JBQAEPJEJUGKAA-QGZVFWFLSA-N -1 3 378.266 3.659 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C[C@@H](O)c3ccc(F)cc3)C3CC3)nc2)n1 ZINC000771164434 875059646 /nfs/dbraw/zinc/05/96/46/875059646.db2.gz SOAYBBDHRGWVBF-LJQANCHMSA-N -1 3 394.450 3.648 20 0 GHADHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCOCC1 ZINC000303162412 875150031 /nfs/dbraw/zinc/15/00/31/875150031.db2.gz HIOUTEGEUSRZKA-UHFFFAOYSA-N -1 3 397.899 3.814 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cc(C(F)(F)F)ccc1F ZINC000303165393 875154251 /nfs/dbraw/zinc/15/42/51/875154251.db2.gz HVLBGVBNIQDZBQ-CQSZACIVSA-N -1 3 377.334 3.949 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccnc3SC(F)(F)F)nc21 ZINC000746506967 875246725 /nfs/dbraw/zinc/24/67/25/875246725.db2.gz RJRRYZIZJKHLCC-UHFFFAOYSA-N -1 3 396.350 3.609 20 0 GHADHM CCc1nnc([O-])c(CNC(=O)c2cc3c4ccccc4n(C)c3s2)c1CC ZINC000771654652 875362282 /nfs/dbraw/zinc/36/22/82/875362282.db2.gz OCDSCZZYWYDURB-UHFFFAOYSA-N -1 3 394.500 3.943 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000771717376 875412535 /nfs/dbraw/zinc/41/25/35/875412535.db2.gz JNNZFUIATCGJLC-BMLIUANNSA-N -1 3 391.254 3.687 20 0 GHADHM COc1ccc(NC(=S)Nc2cc(Br)ccc2[O-])c(OC)c1 ZINC001200974479 875421685 /nfs/dbraw/zinc/42/16/85/875421685.db2.gz JXPTVWPCGLOADO-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM CCC(CC)Oc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000449805634 875445836 /nfs/dbraw/zinc/44/58/36/875445836.db2.gz WRLCUDGQBTVMEV-UHFFFAOYSA-N -1 3 396.487 3.558 20 0 GHADHM Cc1ncc(CNC(=O)c2ccccc2NCCc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000542458380 875610349 /nfs/dbraw/zinc/61/03/49/875610349.db2.gz HPXSOTOIMUHRNU-UHFFFAOYSA-N -1 3 396.878 3.729 20 0 GHADHM Cc1ccc(COc2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)cc1 ZINC000772020156 875641777 /nfs/dbraw/zinc/64/17/77/875641777.db2.gz KLWJZQCUOKHSKW-MRXNPFEDSA-N -1 3 378.350 3.951 20 0 GHADHM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000772104077 875695649 /nfs/dbraw/zinc/69/56/49/875695649.db2.gz XADBWTIWCVQNSO-UHFFFAOYSA-N -1 3 390.395 3.863 20 0 GHADHM CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC001201442773 875708393 /nfs/dbraw/zinc/70/83/93/875708393.db2.gz IMCPHAAUOJCXRM-UHFFFAOYSA-N -1 3 397.884 3.599 20 0 GHADHM CCS(=O)(=O)c1ccc([O-])c(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201475185 875729587 /nfs/dbraw/zinc/72/95/87/875729587.db2.gz UGVZRUGURPYARS-MOPGFXCFSA-N -1 3 398.528 3.919 20 0 GHADHM O=C(CN1CCC(c2c[nH]c3cc(F)ccc32)CC1)[N-]OCc1ccccc1 ZINC000772176960 875733365 /nfs/dbraw/zinc/73/33/65/875733365.db2.gz BNPMSGZQUHKJTN-UHFFFAOYSA-N -1 3 381.451 3.734 20 0 GHADHM Cc1cnc(C2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)s1 ZINC000529176241 875776795 /nfs/dbraw/zinc/77/67/95/875776795.db2.gz MZLJQXICKDBPSY-UHFFFAOYSA-N -1 3 381.295 3.939 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1F)c1ncccc1OCc1ccccc1 ZINC001201885623 875903791 /nfs/dbraw/zinc/90/37/91/875903791.db2.gz PYMBDAFASXNBCO-UHFFFAOYSA-N -1 3 376.384 3.740 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)c2)n1 ZINC000179701764 882994118 /nfs/dbraw/zinc/99/41/18/882994118.db2.gz WVPHVHHSLOUIAZ-SFHVURJKSA-N -1 3 397.862 3.715 20 0 GHADHM CCC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(Cl)c1 ZINC000529411281 876099950 /nfs/dbraw/zinc/09/99/50/876099950.db2.gz PVHCRMWPPGZAEN-AWEZNQCLSA-N -1 3 387.867 3.758 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCC3)ccc2C)cc1 ZINC000173035710 876103233 /nfs/dbraw/zinc/10/32/33/876103233.db2.gz KQJQOISNLYNVKZ-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3c(C)cccc3C)c2)n1 ZINC000173122057 876185711 /nfs/dbraw/zinc/18/57/11/876185711.db2.gz OMRLCFQRMLWETL-UHFFFAOYSA-N -1 3 376.460 3.667 20 0 GHADHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529523144 876280655 /nfs/dbraw/zinc/28/06/55/876280655.db2.gz XKERAYBGSBESRH-ZBFHGGJFSA-N -1 3 398.290 3.688 20 0 GHADHM O=C(O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([O-])cc1 ZINC000776359658 876331268 /nfs/dbraw/zinc/33/12/68/876331268.db2.gz MRCVGFLCHBEYNZ-QGZVFWFLSA-N -1 3 393.361 3.759 20 0 GHADHM CCc1nc2ccccc2n1C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450381331 876336403 /nfs/dbraw/zinc/33/64/03/876336403.db2.gz UODCBWAIYKURLC-UHFFFAOYSA-N -1 3 381.451 3.850 20 0 GHADHM CCN(C(C)=O)c1nc(COC(=O)c2cc3sccc3c([O-])c2)cs1 ZINC000786139386 876468085 /nfs/dbraw/zinc/46/80/85/876468085.db2.gz FXHPULJHVPMESB-UHFFFAOYSA-N -1 3 376.459 3.793 20 0 GHADHM COC(=O)C[C@@](C)(NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000476761700 883034587 /nfs/dbraw/zinc/03/45/87/883034587.db2.gz LXQWNOTYWNMPLI-OAQYLSRUSA-N -1 3 391.414 3.588 20 0 GHADHM COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786135341 876500970 /nfs/dbraw/zinc/50/09/70/876500970.db2.gz AGHBNSNPDLEMJU-CYBMUJFWSA-N -1 3 399.468 3.992 20 0 GHADHM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786134974 876502070 /nfs/dbraw/zinc/50/20/70/876502070.db2.gz UBCMGMWMNQDWLA-LBPRGKRZSA-N -1 3 383.425 3.994 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613848 883038587 /nfs/dbraw/zinc/03/85/87/883038587.db2.gz WIKKGWHUNHRMKJ-LBPRGKRZSA-N -1 3 377.379 3.565 20 0 GHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613848 883038606 /nfs/dbraw/zinc/03/86/06/883038606.db2.gz WIKKGWHUNHRMKJ-LBPRGKRZSA-N -1 3 377.379 3.565 20 0 GHADHM O=C(OCc1cccc(Cl)c1F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000786291416 876590890 /nfs/dbraw/zinc/59/08/90/876590890.db2.gz XOJDTQJLLBDIPV-HNNXBMFYSA-N -1 3 377.799 3.533 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000179993408 883043757 /nfs/dbraw/zinc/04/37/57/883043757.db2.gz AMNMOXOVMIJSAS-UHFFFAOYSA-N -1 3 379.464 3.864 20 0 GHADHM Cn1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc2cc(C(F)(F)F)ccc21 ZINC000173750949 876607743 /nfs/dbraw/zinc/60/77/43/876607743.db2.gz QYCHVNGKSVYQJT-UHFFFAOYSA-N -1 3 386.337 3.630 20 0 GHADHM COC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(C(F)(F)F)c1 ZINC000152084906 876743649 /nfs/dbraw/zinc/74/36/49/876743649.db2.gz ZYUXOGFENZWSAE-UHFFFAOYSA-N -1 3 395.297 3.514 20 0 GHADHM O=C(Nc1cc2c(cc1Cl)CCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000530020985 877015342 /nfs/dbraw/zinc/01/53/42/877015342.db2.gz RYQNALZBBBTIBU-SFHVURJKSA-N -1 3 384.863 3.778 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000787122072 877165166 /nfs/dbraw/zinc/16/51/66/877165166.db2.gz MRLDIRUBRVYNNR-FQEVSTJZSA-N -1 3 375.415 3.718 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746636905 877165490 /nfs/dbraw/zinc/16/54/90/877165490.db2.gz PPMGJYRKRJMDQC-OAHLLOKOSA-N -1 3 381.501 3.853 20 0 GHADHM CCCN1Cc2cccc([N-]S(=O)(=O)C[C@@H](OC)c3ccc(F)cc3)c2C1 ZINC000530133038 877175868 /nfs/dbraw/zinc/17/58/68/877175868.db2.gz ABQGANSCWGSGHC-HXUWFJFHSA-N -1 3 392.496 3.681 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(COCC2CC2)c1)c1ccc(F)cc1 ZINC000530133898 877178873 /nfs/dbraw/zinc/17/88/73/877178873.db2.gz KFNRFAUDXMPGNN-HXUWFJFHSA-N -1 3 393.480 3.882 20 0 GHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000787134398 877183541 /nfs/dbraw/zinc/18/35/41/877183541.db2.gz XLMDTINSPOFXTA-JXFKEZNVSA-N -1 3 381.394 3.761 20 0 GHADHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787142953 877193475 /nfs/dbraw/zinc/19/34/75/877193475.db2.gz ZSTJMLWSENWRCS-GOEBONIOSA-N -1 3 394.487 3.616 20 0 GHADHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787142956 877193936 /nfs/dbraw/zinc/19/39/36/877193936.db2.gz ZSTJMLWSENWRCS-ZBFHGGJFSA-N -1 3 394.487 3.616 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000451024045 877204564 /nfs/dbraw/zinc/20/45/64/877204564.db2.gz WDUCHOLSPZCUPI-UHFFFAOYSA-N -1 3 398.431 3.726 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@]3(C(=O)OC(C)(C)C)CC3(C)C)c2)n1 ZINC000850859798 877236580 /nfs/dbraw/zinc/23/65/80/877236580.db2.gz AGEYLNWDBRQHLX-JOCHJYFZSA-N -1 3 398.459 3.821 20 0 GHADHM COc1ccc(CN(Cc2cnc(C(=O)[O-])cn2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000530163566 877237238 /nfs/dbraw/zinc/23/72/38/877237238.db2.gz PCLFFFIHNFZSGP-HNAYVOBHSA-N -1 3 399.491 3.773 20 0 GHADHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc(OC)c1C(C)C ZINC000451024729 877256930 /nfs/dbraw/zinc/25/69/30/877256930.db2.gz AGAHJQAEDXCJJZ-LJQANCHMSA-N -1 3 393.505 3.957 20 0 GHADHM O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)[N-]OCC(F)F ZINC000787268316 877305836 /nfs/dbraw/zinc/30/58/36/877305836.db2.gz JVIDQOAHOQDDKO-UHFFFAOYSA-N -1 3 380.178 3.679 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000776517090 877415880 /nfs/dbraw/zinc/41/58/80/877415880.db2.gz YNCYVQPRKAWQLV-CZUORRHYSA-N -1 3 395.475 3.509 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cc(Cl)ccc2F)no1 ZINC001212266228 877475566 /nfs/dbraw/zinc/47/55/66/877475566.db2.gz PXMWCOSDSKQJRV-UHFFFAOYSA-N -1 3 377.759 3.799 20 0 GHADHM O=C(OCc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787640999 877526540 /nfs/dbraw/zinc/52/65/40/877526540.db2.gz MDVXPJLOOTVQPT-MRXNPFEDSA-N -1 3 377.799 3.533 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccc(F)cn1 ZINC000787645614 877528944 /nfs/dbraw/zinc/52/89/44/877528944.db2.gz ZZJDIGYKTVYLSS-FQEVSTJZSA-N -1 3 394.402 3.531 20 0 GHADHM O=C(OCC[C@H]1CC1(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000851375302 877632918 /nfs/dbraw/zinc/63/29/18/877632918.db2.gz HYCJCSRGFWYFBN-ZDUSSCGKSA-N -1 3 399.390 3.829 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)[n-]n1 ZINC000530363411 877635913 /nfs/dbraw/zinc/63/59/13/877635913.db2.gz ITPUCRUXLPCGHX-CQSZACIVSA-N -1 3 379.416 3.979 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)n[n-]1 ZINC000530363411 877635933 /nfs/dbraw/zinc/63/59/33/877635933.db2.gz ITPUCRUXLPCGHX-CQSZACIVSA-N -1 3 379.416 3.979 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842479 877658821 /nfs/dbraw/zinc/65/88/21/877658821.db2.gz FBENCAKNRFWAQC-CVEARBPZSA-N -1 3 387.451 3.972 20 0 GHADHM CC(C)[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CCC[C@H](C)C1 ZINC000787847024 877668335 /nfs/dbraw/zinc/66/83/35/877668335.db2.gz BSRNUAJIBBHVRJ-YWZLYKJASA-N -1 3 379.472 3.680 20 0 GHADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(SC2CCCCC2)cc1C ZINC000477609932 877925667 /nfs/dbraw/zinc/92/56/67/877925667.db2.gz HODPCRVJNCLLGS-UHFFFAOYSA-N -1 3 389.477 3.882 20 0 GHADHM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc2sccc2c([O-])c1 ZINC000788283882 877994043 /nfs/dbraw/zinc/99/40/43/877994043.db2.gz ZQPPBNGAGHMKKB-UHFFFAOYSA-N -1 3 382.363 3.873 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000537751851 878241472 /nfs/dbraw/zinc/24/14/72/878241472.db2.gz MSVFNWPFBYKQHG-UHFFFAOYSA-N -1 3 395.259 3.876 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000537751851 878241493 /nfs/dbraw/zinc/24/14/93/878241493.db2.gz MSVFNWPFBYKQHG-UHFFFAOYSA-N -1 3 395.259 3.876 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CSc2ccc(OCC)cc2)c([O-])c1 ZINC000537770417 878272064 /nfs/dbraw/zinc/27/20/64/878272064.db2.gz VAWXXFMHQQKJAL-UHFFFAOYSA-N -1 3 375.446 3.698 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000176724478 878374245 /nfs/dbraw/zinc/37/42/45/878374245.db2.gz DANIHJLSPFBTHV-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000788842512 878375579 /nfs/dbraw/zinc/37/55/79/878375579.db2.gz IXQXYNWOXSRZRE-UHFFFAOYSA-N -1 3 388.489 3.573 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)c(Cl)cc2N1 ZINC000176726933 878376464 /nfs/dbraw/zinc/37/64/64/878376464.db2.gz VDYSPTBCAAYORD-UHFFFAOYSA-N -1 3 393.198 3.567 20 0 GHADHM CCc1cccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c1[O-] ZINC000530719123 878380339 /nfs/dbraw/zinc/38/03/39/878380339.db2.gz AYPOJWMWQLDCMX-MHZLTWQESA-N -1 3 387.501 3.635 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2Cl)sc1Cl ZINC000788898835 878435433 /nfs/dbraw/zinc/43/54/33/878435433.db2.gz JFUDANWEHSPTAJ-JTQLQIEISA-N -1 3 384.281 3.514 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC2CCC1CC2)c1cc(Br)ccc1F ZINC001212278742 878551449 /nfs/dbraw/zinc/55/14/49/878551449.db2.gz WPRCAVARHZCUMF-MCIGGMRASA-N -1 3 376.291 3.693 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789039122 878563406 /nfs/dbraw/zinc/56/34/06/878563406.db2.gz SPDYAKPFOBXGQN-UHFFFAOYSA-N -1 3 393.846 3.580 20 0 GHADHM O=S(=O)(Cc1noc2c1CCCC2)[N-]C(c1cccs1)c1cccs1 ZINC000914134662 878568607 /nfs/dbraw/zinc/56/86/07/878568607.db2.gz YFVRIPVYHNFVMN-UHFFFAOYSA-N -1 3 394.543 3.885 20 0 GHADHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)ccc21 ZINC000460841110 878656197 /nfs/dbraw/zinc/65/61/97/878656197.db2.gz RZVJYELRAHMNHP-UHFFFAOYSA-N -1 3 376.453 3.542 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@H](COc2ccccc2F)c2ccccc2)o1 ZINC000538006267 878660501 /nfs/dbraw/zinc/66/05/01/878660501.db2.gz MCIMCGNUAVCHCX-QGZVFWFLSA-N -1 3 375.421 3.826 20 0 GHADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccco3)on2)nc1C(C)(C)C ZINC000177481311 878722044 /nfs/dbraw/zinc/72/20/44/878722044.db2.gz OHPYSQBAHKKBKH-UHFFFAOYSA-N -1 3 375.406 3.728 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3CC(=O)c4ccccc43)nc(=O)c2c1C ZINC000789301662 878817213 /nfs/dbraw/zinc/81/72/13/878817213.db2.gz BNAWSVGYMOPQDU-IINYFYTJSA-N -1 3 382.441 3.988 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000178106323 879003839 /nfs/dbraw/zinc/00/38/39/879003839.db2.gz YIYDXCDTXXYAJK-CQSZACIVSA-N -1 3 395.228 3.617 20 0 GHADHM CCc1ccc(/C=C/COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000789505762 879025001 /nfs/dbraw/zinc/02/50/01/879025001.db2.gz FLUFEFZKLLVDHK-SNAWJCMRSA-N -1 3 377.437 3.630 20 0 GHADHM COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c([O-])c(OC)c2)cc1Cl ZINC000111677340 879228679 /nfs/dbraw/zinc/22/86/79/879228679.db2.gz SFMAWVXKLRICJZ-SDQBBNPISA-N -1 3 388.807 3.617 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000789765900 879245927 /nfs/dbraw/zinc/24/59/27/879245927.db2.gz ITZGVDCUVPFRRW-UHFFFAOYSA-N -1 3 382.800 3.548 20 0 GHADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000789735828 879252868 /nfs/dbraw/zinc/25/28/68/879252868.db2.gz RWXNZKMRECGMJH-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789805948 879285315 /nfs/dbraw/zinc/28/53/15/879285315.db2.gz CNPOQMSAKDWCAL-OAHLLOKOSA-N -1 3 392.496 3.653 20 0 GHADHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000448452718 879288751 /nfs/dbraw/zinc/28/87/51/879288751.db2.gz QQPISFBUZUHSPU-PGRDOPGGSA-N -1 3 376.456 3.957 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3nnc4ccccc4c3[O-])sc2C)s1 ZINC000111608206 879296319 /nfs/dbraw/zinc/29/63/19/879296319.db2.gz GPMFLNOWCUOQES-UHFFFAOYSA-N -1 3 382.470 3.977 20 0 GHADHM CO[C@]1(C)C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000531205833 879322920 /nfs/dbraw/zinc/32/29/20/879322920.db2.gz WAHQGHVDYDKEJO-LAUBAEHRSA-N -1 3 384.480 3.825 20 0 GHADHM Cc1ccc(-c2nc([N-]C(=O)c3sc(N4CCCC4)nc3Cl)n[nH]2)cc1 ZINC000746865221 879362839 /nfs/dbraw/zinc/36/28/39/879362839.db2.gz ASRPPWDGIAIQJJ-UHFFFAOYSA-N -1 3 388.884 3.743 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C2CCC2)c1)c1nc(C(F)(F)F)cs1 ZINC000914210394 879406906 /nfs/dbraw/zinc/40/69/06/879406906.db2.gz FZQXPNJGEWCTHX-LLVKDONJSA-N -1 3 394.444 3.513 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1cc(Cl)c(Cl)cc1Cl ZINC000790076912 879420312 /nfs/dbraw/zinc/42/03/12/879420312.db2.gz QOQLIYYPCYNQMG-UHFFFAOYSA-N -1 3 399.621 3.714 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1cc(Cl)c(Cl)cc1Cl ZINC000790076912 879420318 /nfs/dbraw/zinc/42/03/18/879420318.db2.gz QOQLIYYPCYNQMG-UHFFFAOYSA-N -1 3 399.621 3.714 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1cc(Cl)c(Cl)cc1Cl ZINC000790076912 879420323 /nfs/dbraw/zinc/42/03/23/879420323.db2.gz QOQLIYYPCYNQMG-UHFFFAOYSA-N -1 3 399.621 3.714 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)n1 ZINC000790276371 879562617 /nfs/dbraw/zinc/56/26/17/879562617.db2.gz LGNWNROGVQEZKI-YESZJQIVSA-N -1 3 390.528 3.663 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(C(=O)[N-]c2ccc(F)cc2F)on1 ZINC000854154812 879589234 /nfs/dbraw/zinc/58/92/34/879589234.db2.gz JVSZWDKJZUPEHU-UHFFFAOYSA-N -1 3 381.379 3.965 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2CCC(OC(F)F)CC2)[nH][n-]1 ZINC000493682370 879598378 /nfs/dbraw/zinc/59/83/78/879598378.db2.gz CGAIFLCKCREVMP-UHFFFAOYSA-N -1 3 399.825 3.897 20 0 GHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493796865 879633958 /nfs/dbraw/zinc/63/39/58/879633958.db2.gz QEHUFTMDXGKGGJ-SECBINFHSA-N -1 3 386.764 3.913 20 0 GHADHM CC(C)(C)c1cc(NC([O-])=NO[C@H]2CCCCO2)n(-c2ccc(F)cc2)n1 ZINC000152832155 879786237 /nfs/dbraw/zinc/78/62/37/879786237.db2.gz IPOGPEGRUPEEEL-KRWDZBQOSA-N -1 3 376.432 3.889 20 0 GHADHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557839316 879805008 /nfs/dbraw/zinc/80/50/08/879805008.db2.gz QRRMJXNZGDOGBS-GFCCVEGCSA-N -1 3 390.452 3.950 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1[O-] ZINC000854455443 879822773 /nfs/dbraw/zinc/82/27/73/879822773.db2.gz SKYWRKVRHRBRPC-INIZCTEOSA-N -1 3 390.480 3.504 20 0 GHADHM CCCC[C@@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000461432096 879845957 /nfs/dbraw/zinc/84/59/57/879845957.db2.gz VXJZCIMIGIKNFN-GFCCVEGCSA-N -1 3 395.352 3.699 20 0 GHADHM CCc1c([N-]S(=O)(=O)CCC2CC2)n[nH]c1-c1ccc(Br)cc1 ZINC000494098520 879889295 /nfs/dbraw/zinc/88/92/95/879889295.db2.gz BFKSXBDYRQIDMH-UHFFFAOYSA-N -1 3 398.326 3.943 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc4ccc(OC)cc43)nc21 ZINC000494088128 879906652 /nfs/dbraw/zinc/90/66/52/879906652.db2.gz AZAKOCBLNAUWCN-UHFFFAOYSA-N -1 3 389.411 3.693 20 0 GHADHM CCOc1ccc(OCCCC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC000494126850 879921118 /nfs/dbraw/zinc/92/11/18/879921118.db2.gz DNIGFIRURFUYKH-UHFFFAOYSA-N -1 3 397.431 3.546 20 0 GHADHM COCCCOc1ccc(C(=O)Nc2c([O-])ccc(Br)c2C)cn1 ZINC000452744534 879963578 /nfs/dbraw/zinc/96/35/78/879963578.db2.gz CLDAVTRSJTYXAL-UHFFFAOYSA-N -1 3 395.253 3.526 20 0 GHADHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3c4nsnc4ccc3Cl)nn2)c1 ZINC000790930732 880072153 /nfs/dbraw/zinc/07/21/53/880072153.db2.gz CLUQHEVVLIOQLE-UHFFFAOYSA-N -1 3 388.815 3.625 20 0 GHADHM C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000854817803 880073218 /nfs/dbraw/zinc/07/32/18/880073218.db2.gz GZTRQUXZDAVGJY-SSDOTTSWSA-N -1 3 399.954 3.668 20 0 GHADHM Cc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c([O-])c1 ZINC000791032795 880159623 /nfs/dbraw/zinc/15/96/23/880159623.db2.gz YQJDHVNQJFOKKL-UHFFFAOYSA-N -1 3 388.508 3.954 20 0 GHADHM C[C@H]1CN(Cc2cccc(CNC(=O)c3cc4sccc4c([O-])c3)c2)CCO1 ZINC000791332722 880337459 /nfs/dbraw/zinc/33/74/59/880337459.db2.gz FHZPVVKMKQQCRK-HNNXBMFYSA-N -1 3 396.512 3.758 20 0 GHADHM CC(C)CCn1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)nn1 ZINC000186084224 880782573 /nfs/dbraw/zinc/78/25/73/880782573.db2.gz NITAQONOFNFRMO-UHFFFAOYSA-N -1 3 394.863 3.888 20 0 GHADHM O=C(OCCO[C@@H]1CCCCO1)c1n[n-]c(-c2ccccc2)c1Br ZINC000792040898 880889694 /nfs/dbraw/zinc/88/96/94/880889694.db2.gz UXQHAKGUOQMHPN-CYBMUJFWSA-N -1 3 395.253 3.539 20 0 GHADHM C[C@@H](Sc1nc2cncnc2[nH]1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000186754913 880978035 /nfs/dbraw/zinc/97/80/35/880978035.db2.gz KCGTWPNOTVKTRG-MRVPVSSYSA-N -1 3 396.457 3.764 20 0 GHADHM C[C@H](Sc1nc2cncnc2[nH]1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000186754894 880978052 /nfs/dbraw/zinc/97/80/52/880978052.db2.gz KCGTWPNOTVKTRG-QMMMGPOBSA-N -1 3 396.457 3.764 20 0 GHADHM CON(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856339645 881145750 /nfs/dbraw/zinc/14/57/50/881145750.db2.gz ZGOWKFCHAHRASH-SNVBAGLBSA-N -1 3 381.354 3.843 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Br)o1)[N-]OCC1CCC1 ZINC000856346644 881156323 /nfs/dbraw/zinc/15/63/23/881156323.db2.gz IJXMDVSBTKLBJT-UHFFFAOYSA-N -1 3 379.254 3.885 20 0 GHADHM COc1cc(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc(OC)c1[O-] ZINC000119817845 881168208 /nfs/dbraw/zinc/16/82/08/881168208.db2.gz PSELCUKFZSZCLP-LLVKDONJSA-N -1 3 394.265 3.533 20 0 GHADHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000188898386 881334534 /nfs/dbraw/zinc/33/45/34/881334534.db2.gz PHGNAVJDIZCCAC-UHFFFAOYSA-N -1 3 394.251 3.959 20 0 GHADHM CC[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(C)cc1 ZINC000195332965 883283716 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CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805056650 883566196 /nfs/dbraw/zinc/56/61/96/883566196.db2.gz FFZGSIHTOMKXAJ-OTYXRUKQSA-N -1 3 393.267 3.582 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H](O)Cc1c(F)cccc1Cl ZINC000477101939 883715145 /nfs/dbraw/zinc/71/51/45/883715145.db2.gz PLCMHSDJQBELCQ-AWEZNQCLSA-N -1 3 377.721 3.746 20 0 GHADHM CC[C@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC001130153051 883755608 /nfs/dbraw/zinc/75/56/08/883755608.db2.gz VLDNBWCTEUQLAK-GXFFZTMASA-N -1 3 392.240 3.635 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCCc4c(O)cccc43)cc2)n1 ZINC000190199290 884052074 /nfs/dbraw/zinc/05/20/74/884052074.db2.gz BGHHJCRBWUUJTQ-SFHVURJKSA-N -1 3 375.428 3.510 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cn(-c2ccccc2Cl)nn1 ZINC000476146488 884105699 /nfs/dbraw/zinc/10/56/99/884105699.db2.gz JEPAYUNAQPUJGD-UHFFFAOYSA-N -1 3 382.729 3.897 20 0 GHADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000747271641 884167973 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20 0 GHADHM O=C(CC1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1ncccc1[O-] ZINC001183792992 912822210 /nfs/dbraw/zinc/82/22/10/912822210.db2.gz SLUOYUWVEZNYDL-UHFFFAOYSA-N -1 3 380.366 3.883 20 0 GHADHM O=C([N-]c1ncccc1C(=O)c1cccc(Cl)c1)c1ncoc1-c1ccon1 ZINC001130572641 884523528 /nfs/dbraw/zinc/52/35/28/884523528.db2.gz MNOURSFZPQDSIN-UHFFFAOYSA-N -1 3 394.774 3.861 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1Cc1nc(-c2ccc(Cl)cc2F)no1 ZINC000556346237 884542679 /nfs/dbraw/zinc/54/26/79/884542679.db2.gz UJBVSLCYZIVRGZ-UHFFFAOYSA-N -1 3 397.797 3.986 20 0 GHADHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)cc1OC ZINC000029336080 884555515 /nfs/dbraw/zinc/55/55/15/884555515.db2.gz YREKYXJXHNFYPC-UHFFFAOYSA-N -1 3 390.244 3.589 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(=O)OC)c1 ZINC000475827372 884571922 /nfs/dbraw/zinc/57/19/22/884571922.db2.gz CMDOJUGODSFLTG-UHFFFAOYSA-N -1 3 381.837 3.520 20 0 GHADHM CCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000914716208 884604464 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3 397.398 3.631 20 0 GHADHM C[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc(Oc2cccnc2)cc1 ZINC000806554681 884806698 /nfs/dbraw/zinc/80/66/98/884806698.db2.gz XWDHYILOHMTESU-HFITWMCCSA-N -1 3 385.423 3.836 20 0 GHADHM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000263470174 884928697 /nfs/dbraw/zinc/92/86/97/884928697.db2.gz LDQCHOLQKRVNRR-HXUWFJFHSA-N -1 3 396.487 3.627 20 0 GHADHM COc1cc[n-]c(=NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n1 ZINC000029879745 884965341 /nfs/dbraw/zinc/96/53/41/884965341.db2.gz RWNSYGJZAVZPEW-UHFFFAOYSA-N -1 3 385.427 3.766 20 0 GHADHM CS(=O)(=O)C1(c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CCCC1 ZINC000556448809 884967445 /nfs/dbraw/zinc/96/74/45/884967445.db2.gz OTRDLHFUEASZGO-UHFFFAOYSA-N -1 3 398.484 3.847 20 0 GHADHM COc1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000643834487 912886932 /nfs/dbraw/zinc/88/69/32/912886932.db2.gz PMVXMKDFQPCERF-UHFFFAOYSA-N -1 3 394.802 3.747 20 0 GHADHM COc1cc([C@@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(C)C 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NQUZILGMOGVJII-LJQANCHMSA-N -1 3 399.422 3.615 20 0 GHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3nc4ccccc4o3)[n-]c(=O)c21 ZINC000537556816 885395288 /nfs/dbraw/zinc/39/52/88/885395288.db2.gz WMHSRUINKAQUMV-JTQLQIEISA-N -1 3 396.428 3.820 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807706571 885616197 /nfs/dbraw/zinc/61/61/97/885616197.db2.gz QIDNBLASOYNSNR-XSWJXKHESA-N -1 3 384.442 3.793 20 0 GHADHM Cc1ncc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)s1 ZINC000795889673 912956541 /nfs/dbraw/zinc/95/65/41/912956541.db2.gz LNPFFSWYKLIRCM-UHFFFAOYSA-N -1 3 384.832 3.645 20 0 GHADHM O=C(Nc1ncccc1[O-])C1(Cc2cccc(Br)c2)CCOCC1 ZINC001184005903 912966271 /nfs/dbraw/zinc/96/62/71/912966271.db2.gz PYUNUFIXRXFYOO-UHFFFAOYSA-N -1 3 391.265 3.528 20 0 GHADHM O=S(=O)([N-][C@@H](Cc1ccccc1)C1CC1)c1ccc(Br)s1 ZINC000303875461 885754848 /nfs/dbraw/zinc/75/48/48/885754848.db2.gz QNVWFULQLFLIPX-ZDUSSCGKSA-N -1 3 386.336 3.810 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 ZINC000108639629 885779912 /nfs/dbraw/zinc/77/99/12/885779912.db2.gz FVIOINFEOGSMSO-UHFFFAOYSA-N -1 3 383.473 3.696 20 0 GHADHM COc1ccc(-c2csc(CNC=C3C(=O)[N-]C(=O)c4ccccc43)c2)cc1 ZINC000747436697 885850054 /nfs/dbraw/zinc/85/00/54/885850054.db2.gz JGPVFKHXACTYRT-UDWIEESQSA-N -1 3 390.464 3.824 20 0 GHADHM O=C1CCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000808079084 885978299 /nfs/dbraw/zinc/97/82/99/885978299.db2.gz OAJCFCUBRDQCCG-UHFFFAOYSA-N -1 3 384.379 3.691 20 0 GHADHM COc1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000131374144 885991450 /nfs/dbraw/zinc/99/14/50/885991450.db2.gz AAAISFPAWHOOCU-UHFFFAOYSA-N -1 3 397.500 3.523 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)c(C)c1 ZINC000055639444 886126975 /nfs/dbraw/zinc/12/69/75/886126975.db2.gz QCLIZOPTMOLGKL-UHFFFAOYSA-N -1 3 392.908 3.958 20 0 GHADHM C[C@H](C(=O)[N-]OCCC(F)(F)F)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000155063620 886174521 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CC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC000666684767 887407767 /nfs/dbraw/zinc/40/77/67/887407767.db2.gz UCVUBPAJGGLHQD-HNNXBMFYSA-N -1 3 379.888 3.594 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nc(-c3c(F)cccc3F)cs2)c2ccccc21 ZINC000032584812 887430382 /nfs/dbraw/zinc/43/03/82/887430382.db2.gz YEJRABDTFVQCNT-XYOKQWHBSA-N -1 3 383.379 3.811 20 0 GHADHM O=C(Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001131707418 887441651 /nfs/dbraw/zinc/44/16/51/887441651.db2.gz HAUDHMHUYFLUBZ-UHFFFAOYSA-N -1 3 396.255 3.802 20 0 GHADHM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001131707418 887441661 /nfs/dbraw/zinc/44/16/61/887441661.db2.gz HAUDHMHUYFLUBZ-UHFFFAOYSA-N -1 3 396.255 3.802 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(C2CCOCC2)CC1 ZINC000131439191 887543642 /nfs/dbraw/zinc/54/36/42/887543642.db2.gz QBLLITUVNOVEJL-UHFFFAOYSA-N -1 3 397.313 3.503 20 0 GHADHM CO[C@H](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001184351708 913162893 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CC[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000810748606 888847212 /nfs/dbraw/zinc/84/72/12/888847212.db2.gz HWTQUHOWYNZFKK-LRDDRELGSA-N -1 3 382.888 3.811 20 0 GHADHM O=c1[n-]c(CN[C@@H]2CCCc3cc(SC(F)F)ccc32)nc2c1COCC2 ZINC000866630169 888984581 /nfs/dbraw/zinc/98/45/81/888984581.db2.gz XYVGKIMMFWFGCH-OAHLLOKOSA-N -1 3 393.459 3.737 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCC(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000121609871 889055159 /nfs/dbraw/zinc/05/51/59/889055159.db2.gz VBLOJIYJLUSARB-UHFFFAOYSA-N -1 3 398.365 3.592 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3Cl)C[C@@H]21 ZINC000811026665 889110858 /nfs/dbraw/zinc/11/08/58/889110858.db2.gz INLWPZRFGJXJOE-ISTRZQFTSA-N -1 3 394.899 3.811 20 0 GHADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000532881726 889152487 /nfs/dbraw/zinc/15/24/87/889152487.db2.gz PZRONIUENCOSAA-SFHVURJKSA-N -1 3 390.499 3.674 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCc3ccn(C4CCCC4)n3)cc2)cc(=O)[n-]1 ZINC000532886718 889203005 /nfs/dbraw/zinc/20/30/05/889203005.db2.gz HTKURLBPUXKCTL-UHFFFAOYSA-N -1 3 392.463 3.791 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H](C4CC4)C3)cs2)c1 ZINC000644518530 913330433 /nfs/dbraw/zinc/33/04/33/913330433.db2.gz XWKUREXVWPNDSA-OAHLLOKOSA-N -1 3 399.516 3.601 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000154128504 889298534 /nfs/dbraw/zinc/29/85/34/889298534.db2.gz QFBXNVJEAIURPX-UHFFFAOYSA-N -1 3 393.443 3.805 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC[C@H](C4CC4)C3)cs2)c1 ZINC000644518528 913331254 /nfs/dbraw/zinc/33/12/54/913331254.db2.gz XWKUREXVWPNDSA-HNNXBMFYSA-N -1 3 399.516 3.601 20 0 GHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)N1CCc2sccc2C1 ZINC000811394115 889532854 /nfs/dbraw/zinc/53/28/54/889532854.db2.gz LYDGIPIQRMZTCR-UHFFFAOYSA-N -1 3 380.878 3.686 20 0 GHADHM Cc1nc2sccn2c(=O)c1CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393689 889534434 /nfs/dbraw/zinc/53/44/34/889534434.db2.gz COEWPTZYIWCHDT-UHFFFAOYSA-N -1 3 393.877 3.660 20 0 GHADHM O=C(CCCc1ccccc1Cl)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000811490573 889641568 /nfs/dbraw/zinc/64/15/68/889641568.db2.gz RCZVOIHIHYVGOQ-UHFFFAOYSA-N -1 3 390.833 3.580 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c([O-])c1 ZINC000124765786 889754173 /nfs/dbraw/zinc/75/41/73/889754173.db2.gz XTHPISNDFGVGBK-UHFFFAOYSA-N -1 3 396.468 3.797 20 0 GHADHM CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533160182 889874024 /nfs/dbraw/zinc/87/40/24/889874024.db2.gz UHDKAHGROKQPCB-UHFFFAOYSA-N -1 3 376.840 3.593 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc2c(ccnc2Cl)s1 ZINC000869463058 889950049 /nfs/dbraw/zinc/95/00/49/889950049.db2.gz MHUKOFYMTQMVTR-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916729747 890140614 /nfs/dbraw/zinc/14/06/14/890140614.db2.gz GMZFCYPKCGLHQR-OKILXGFUSA-N -1 3 396.459 3.688 20 0 GHADHM CC(C)(C)OC(=O)C1(NCc2nc3c4ccccc4oc3c(=O)[n-]2)CCCC1 ZINC000533378541 890385482 /nfs/dbraw/zinc/38/54/82/890385482.db2.gz KRXRAHGNGMFEFD-UHFFFAOYSA-N -1 3 383.448 3.826 20 0 GHADHM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000126240050 890439813 /nfs/dbraw/zinc/43/98/13/890439813.db2.gz CNDUOPVFIMOGKY-UHFFFAOYSA-N -1 3 392.385 3.860 20 0 GHADHM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000126240050 890439820 /nfs/dbraw/zinc/43/98/20/890439820.db2.gz CNDUOPVFIMOGKY-UHFFFAOYSA-N -1 3 392.385 3.860 20 0 GHADHM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000126240050 890439824 /nfs/dbraw/zinc/43/98/24/890439824.db2.gz CNDUOPVFIMOGKY-UHFFFAOYSA-N -1 3 392.385 3.860 20 0 GHADHM COC(=O)c1sc2[n-]c(CN(C)c3cccc4ccccc43)nc(=O)c2c1C ZINC000065590126 890552652 /nfs/dbraw/zinc/55/26/52/890552652.db2.gz SNHJDIXWCQWLNY-UHFFFAOYSA-N -1 3 393.468 3.869 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3cc(Br)c(C)nc3[nH]2)n1 ZINC000126631240 890622558 /nfs/dbraw/zinc/62/25/58/890622558.db2.gz IVNPEMOBMLYLTM-QMMMGPOBSA-N -1 3 380.271 3.686 20 0 GHADHM COc1ccc2[nH]cc(CC(=O)Nc3cc(Br)ccc3[O-])c2c1 ZINC000126652246 890631481 /nfs/dbraw/zinc/63/14/81/890631481.db2.gz YRNXSUQMDBSTPN-UHFFFAOYSA-N -1 3 375.222 3.826 20 0 GHADHM CCC1(C(=O)[N-]OCCCC(F)(F)F)CCN(C(=O)c2ccccc2)CC1 ZINC000871214609 890698981 /nfs/dbraw/zinc/69/89/81/890698981.db2.gz OTGLIVSCVJGSNT-UHFFFAOYSA-N -1 3 386.414 3.709 20 0 GHADHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)[N-]OCCCC(F)(F)F ZINC000871213600 890699004 /nfs/dbraw/zinc/69/90/04/890699004.db2.gz UCQMATNCVADIFU-UHFFFAOYSA-N -1 3 377.750 3.713 20 0 GHADHM CC(=O)CC(C)(C)CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316828 890751756 /nfs/dbraw/zinc/75/17/56/890751756.db2.gz ZBAULWOAAQJXRF-CQSZACIVSA-N -1 3 398.425 3.581 20 0 GHADHM C/C=C\c1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000497322515 890838742 /nfs/dbraw/zinc/83/87/42/890838742.db2.gz LTILQNIDSRIKSV-IHWYPQMZSA-N -1 3 399.925 3.535 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812760056 890908060 /nfs/dbraw/zinc/90/80/60/890908060.db2.gz RILVZNBICIOFCV-HNNXBMFYSA-N -1 3 399.466 3.651 20 0 GHADHM CC(C)OCCO[N-]C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000812805500 890999647 /nfs/dbraw/zinc/99/96/47/890999647.db2.gz NNRTZUDKCANDPY-UHFFFAOYSA-N -1 3 397.269 3.510 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000127418306 891050550 /nfs/dbraw/zinc/05/05/50/891050550.db2.gz BEJRRROANARHJV-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000127418306 891050554 /nfs/dbraw/zinc/05/05/54/891050554.db2.gz BEJRRROANARHJV-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000872164515 891188983 /nfs/dbraw/zinc/18/89/83/891188983.db2.gz SKNPMJONMRJHSN-MRXNPFEDSA-N -1 3 375.856 3.996 20 0 GHADHM O=C([O-])[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)C[C@H]1C(F)(F)F ZINC000872167989 891192018 /nfs/dbraw/zinc/19/20/18/891192018.db2.gz KWVWDUWGNAKKCN-QZTJIDSGSA-N -1 3 393.405 3.988 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2OC(F)F)C[C@H]1c1ccc(F)cc1 ZINC000872323778 891239759 /nfs/dbraw/zinc/23/97/59/891239759.db2.gz XORUUVJJWOUCCD-JKSUJKDBSA-N -1 3 383.341 3.866 20 0 GHADHM [O-]c1ccc(Nc2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)c(F)c1F ZINC001212003194 891281781 /nfs/dbraw/zinc/28/17/81/891281781.db2.gz SSHPNLWUGWYODJ-SNVBAGLBSA-N -1 3 381.770 3.906 20 0 GHADHM CC(C)COc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000128239858 891497562 /nfs/dbraw/zinc/49/75/62/891497562.db2.gz WUYOZATUCKCWFP-LJQANCHMSA-N -1 3 382.460 3.670 20 0 GHADHM CC[C@@H](NCc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl)C(=O)[O-] ZINC000813354746 891535851 /nfs/dbraw/zinc/53/58/51/891535851.db2.gz BQAWEAVWYPBILH-CYBMUJFWSA-N -1 3 375.778 3.806 20 0 GHADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(SC)ccc2[O-])c1 ZINC000614885111 891552825 /nfs/dbraw/zinc/55/28/25/891552825.db2.gz JNFQZNTXLHAZHL-UHFFFAOYSA-N -1 3 387.505 3.647 20 0 GHADHM COC[C@]1(C(=O)[O-])CCN(Cc2cc3ccc(SC)cc3nc2Cl)C1 ZINC000873644110 891721599 /nfs/dbraw/zinc/72/15/99/891721599.db2.gz VBKMEEVIJDPYNX-SFHVURJKSA-N -1 3 380.897 3.533 20 0 GHADHM CC(C)Oc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000873645855 891723493 /nfs/dbraw/zinc/72/34/93/891723493.db2.gz RSRGTYALPXBCEM-JKSUJKDBSA-N -1 3 391.899 3.551 20 0 GHADHM Cc1cccc(C2(CC(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)CCC2)c1 ZINC001185086205 913627421 /nfs/dbraw/zinc/62/74/21/913627421.db2.gz XYUGHTKBINTHED-UHFFFAOYSA-N -1 3 388.471 3.989 20 0 GHADHM COc1ccc(CC(=O)[N-]OCCc2cc(Cl)cc(Cl)c2)cc1OC ZINC000774818592 913636502 /nfs/dbraw/zinc/63/65/02/913636502.db2.gz DQYIAAXFYMBQHY-UHFFFAOYSA-N -1 3 384.259 3.844 20 0 GHADHM O=C1[N-]C(=O)/C(=C/NCc2ccc(COc3ccccc3)cc2)c2ccccc21 ZINC000917602143 892270014 /nfs/dbraw/zinc/27/00/14/892270014.db2.gz VOTJCCNTOXKUNL-PXLXIMEGSA-N -1 3 384.435 3.666 20 0 GHADHM CCOc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1 ZINC000917603625 892272307 /nfs/dbraw/zinc/27/23/07/892272307.db2.gz CQCHPFYAUKNGHP-GZTJUZNOSA-N -1 3 391.452 3.932 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCSC1 ZINC000288081928 913649543 /nfs/dbraw/zinc/64/95/43/913649543.db2.gz PPTNMPMLIMCOSV-UZLBHIALSA-N -1 3 398.528 3.513 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1oc2ccccc2c1Br ZINC001134127734 892321683 /nfs/dbraw/zinc/32/16/83/892321683.db2.gz AQAJRVHFUWOJKW-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1oc2ccccc2c1Br ZINC001134127734 892321701 /nfs/dbraw/zinc/32/17/01/892321701.db2.gz AQAJRVHFUWOJKW-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1oc2ccccc2c1Br ZINC001134127734 892321719 /nfs/dbraw/zinc/32/17/19/892321719.db2.gz AQAJRVHFUWOJKW-UHFFFAOYSA-N -1 3 375.104 3.585 20 0 GHADHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000497764883 892366730 /nfs/dbraw/zinc/36/67/30/892366730.db2.gz ROPUIAVWZBCEMR-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1OC(F)F ZINC000874928025 892379546 /nfs/dbraw/zinc/37/95/46/892379546.db2.gz OGUKJIRBYOPAHS-UITAMQMPSA-N -1 3 394.193 3.773 20 0 GHADHM CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000068579098 892442334 /nfs/dbraw/zinc/44/23/34/892442334.db2.gz JHNBCMYIOQZKDT-UHFFFAOYSA-N -1 3 377.400 3.543 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000497822210 892503587 /nfs/dbraw/zinc/50/35/87/892503587.db2.gz WICYFLLPQWWBLM-SJORKVTESA-N -1 3 399.249 3.638 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000128918141 892670428 /nfs/dbraw/zinc/67/04/28/892670428.db2.gz GLRGBLORCLAWHN-UHFFFAOYSA-N -1 3 381.413 3.826 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cc(I)c(F)cc1F ZINC000128928383 892699876 /nfs/dbraw/zinc/69/98/76/892699876.db2.gz CBRQCFMHUVYSJH-UHFFFAOYSA-N -1 3 393.102 3.666 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC=C(C)CC3)c2)cc1 ZINC000533745156 892725305 /nfs/dbraw/zinc/72/53/05/892725305.db2.gz KRZYPJZUMUORKY-UHFFFAOYSA-N -1 3 384.501 3.896 20 0 GHADHM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812623 892772639 /nfs/dbraw/zinc/77/26/39/892772639.db2.gz OUSDBICIAZCAFW-ZDUSSCGKSA-N -1 3 388.258 3.866 20 0 GHADHM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812623 892772649 /nfs/dbraw/zinc/77/26/49/892772649.db2.gz OUSDBICIAZCAFW-ZDUSSCGKSA-N -1 3 388.258 3.866 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1OC ZINC000509684613 892782189 /nfs/dbraw/zinc/78/21/89/892782189.db2.gz PNBZFHAIIDJHAK-SHTZXODSSA-N -1 3 382.526 3.858 20 0 GHADHM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000128982548 892806180 /nfs/dbraw/zinc/80/61/80/892806180.db2.gz RXLRRJQOPKOVCY-CQSZACIVSA-N -1 3 396.871 3.675 20 0 GHADHM CC(F)(F)C(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000825857072 893035157 /nfs/dbraw/zinc/03/51/57/893035157.db2.gz ZHBHEGPWDAVOFY-UHFFFAOYSA-N -1 3 387.224 3.702 20 0 GHADHM CC(C)C[C@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001137102698 893036341 /nfs/dbraw/zinc/03/63/41/893036341.db2.gz DCYOAOQOQYDQSX-GFCCVEGCSA-N -1 3 382.382 3.935 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc([C@H]4CCCOC4)cc3)nc21 ZINC001134753707 893288492 /nfs/dbraw/zinc/28/84/92/893288492.db2.gz UCMUGTDEAPRAFZ-INIZCTEOSA-N -1 3 393.443 3.886 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C[C@H](C)Cc3ccccc3OC)nc21 ZINC001134753817 893289190 /nfs/dbraw/zinc/28/91/90/893289190.db2.gz YFYZYNSTXAFZKX-CQSZACIVSA-N -1 3 395.459 3.956 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000918193006 893338041 /nfs/dbraw/zinc/33/80/41/893338041.db2.gz SYWFSGYAVLWDKF-ZDUSSCGKSA-N -1 3 398.463 3.571 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2c(C)noc2C(F)(F)F)cc(F)c1Cl ZINC001134834292 893380158 /nfs/dbraw/zinc/38/01/58/893380158.db2.gz FDXDOTJEZCGWJM-UHFFFAOYSA-N -1 3 380.681 3.833 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1N1CCOCC1 ZINC000288441262 913767475 /nfs/dbraw/zinc/76/74/75/913767475.db2.gz INTFOGPFOIKKMR-UHFFFAOYSA-N -1 3 382.432 3.570 20 0 GHADHM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129462978 893456304 /nfs/dbraw/zinc/45/63/04/893456304.db2.gz SEYFDLWVXJRTOA-ACJLOTCBSA-N -1 3 386.879 3.984 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]cnc(=N[C@H](CN(C)Cc3ccccc3)C(C)C)c12 ZINC000563207829 893479707 /nfs/dbraw/zinc/47/97/07/893479707.db2.gz OHGJLYOKGJQNIO-MRXNPFEDSA-N -1 3 398.532 3.688 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c4ncccc4c3)nc21 ZINC001134940656 893647196 /nfs/dbraw/zinc/64/71/96/893647196.db2.gz KGPRGGRIIXGWCY-UHFFFAOYSA-N -1 3 378.363 3.679 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000563375855 893678002 /nfs/dbraw/zinc/67/80/02/893678002.db2.gz GMPQEMLBUSUGAV-UHFFFAOYSA-N -1 3 398.850 3.874 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)n1 ZINC000129595729 893698950 /nfs/dbraw/zinc/69/89/50/893698950.db2.gz MQHUIFBHVHYUAF-VIFPVBQESA-N -1 3 392.282 3.892 20 0 GHADHM CC(=O)NCCN(Cc1ccc(C)s1)Cc1cccc([O-])c1Br ZINC000459529750 893739324 /nfs/dbraw/zinc/73/93/24/893739324.db2.gz CSXDJRCDHDCEQM-UHFFFAOYSA-N -1 3 397.338 3.663 20 0 GHADHM CCS(=O)(=O)c1ccc([C@H](C)NCc2cccc([O-])c2Br)cc1 ZINC000459534215 893754377 /nfs/dbraw/zinc/75/43/77/893754377.db2.gz YRVNYVRVGJDVCE-LBPRGKRZSA-N -1 3 398.322 3.799 20 0 GHADHM CCOc1cc(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000459543819 893769869 /nfs/dbraw/zinc/76/98/69/893769869.db2.gz MVQHBTXCFIDWJB-UHFFFAOYSA-N -1 3 398.912 3.615 20 0 GHADHM CC(C)(C)O[C@@H]1C[C@@H](NCc2cccc([O-])c2Br)[C@@H]1n1cccn1 ZINC000459573514 893842639 /nfs/dbraw/zinc/84/26/39/893842639.db2.gz RAIDQFPKNYORRL-UNEWFSDZSA-N -1 3 394.313 3.638 20 0 GHADHM C/C=C\COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000918510967 893855183 /nfs/dbraw/zinc/85/51/83/893855183.db2.gz COIMUHOUZPXKRN-PLNGDYQASA-N -1 3 375.446 3.537 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000645309744 913815194 /nfs/dbraw/zinc/81/51/94/913815194.db2.gz QUVBVBKKQRUHIU-MRXNPFEDSA-N -1 3 382.794 3.607 20 0 GHADHM CCOCc1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000129735509 893928805 /nfs/dbraw/zinc/92/88/05/893928805.db2.gz GEWZFPKHROUJNZ-UHFFFAOYSA-N -1 3 389.452 3.657 20 0 GHADHM CN(C(=O)COC(=O)c1ccc([O-])cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000022474909 893979162 /nfs/dbraw/zinc/97/91/62/893979162.db2.gz YCXUBDYLMRIKKF-QFIPXVFZSA-N -1 3 393.414 3.936 20 0 GHADHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000288648373 913827656 /nfs/dbraw/zinc/82/76/56/913827656.db2.gz XYRHGMHRXNXJJO-ZDUSSCGKSA-N -1 3 382.432 3.650 20 0 GHADHM COCCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(F)c(Cl)c1 ZINC000878689232 894512252 /nfs/dbraw/zinc/51/22/52/894512252.db2.gz DQBQAUCLWQOYLS-UHFFFAOYSA-N -1 3 391.830 3.883 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)c2ccccc21 ZINC000564136171 894638870 /nfs/dbraw/zinc/63/88/70/894638870.db2.gz NUAUVBPKWRHAGC-NSHDSACASA-N -1 3 377.375 3.745 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000879093816 894831801 /nfs/dbraw/zinc/83/18/01/894831801.db2.gz HBEOWTYUBOUJHU-QAPCUYQASA-N -1 3 389.814 3.855 20 0 GHADHM C=C/C=C\CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001135673951 895043032 /nfs/dbraw/zinc/04/30/32/895043032.db2.gz HBADLRPTZFMFGF-WAYWQWQTSA-N -1 3 386.473 3.875 20 0 GHADHM CC1(C)CN(CC2CN(C(=O)c3c([O-])cccc3O)C2)c2cc(C3CC3)ccc21 ZINC000564585519 895100215 /nfs/dbraw/zinc/10/02/15/895100215.db2.gz LLVTXPITVBDBRB-UHFFFAOYSA-N -1 3 392.499 3.845 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000816868459 895141648 /nfs/dbraw/zinc/14/16/48/895141648.db2.gz QALMLTYELVQNAX-OAHLLOKOSA-N -1 3 380.872 3.565 20 0 GHADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N(C1CCCCC1)C1CCCCC1 ZINC001185556364 913952246 /nfs/dbraw/zinc/95/22/46/913952246.db2.gz DPETZHVDWVUBFA-UHFFFAOYSA-N -1 3 389.525 3.523 20 0 GHADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N(C1CCCCC1)C1CCCCC1 ZINC001185556364 913952258 /nfs/dbraw/zinc/95/22/58/913952258.db2.gz DPETZHVDWVUBFA-UHFFFAOYSA-N -1 3 389.525 3.523 20 0 GHADHM O=c1nc(CN2CCO[C@@H](C(F)(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000880048251 895477766 /nfs/dbraw/zinc/47/77/66/895477766.db2.gz KJEUMQJDXVJGLF-GFCCVEGCSA-N -1 3 399.394 3.810 20 0 GHADHM COCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826154968 895657056 /nfs/dbraw/zinc/65/70/56/895657056.db2.gz BKBVNQSLEMPWAE-HOTGVXAUSA-N -1 3 393.491 3.774 20 0 GHADHM COCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826154968 895657061 /nfs/dbraw/zinc/65/70/61/895657061.db2.gz BKBVNQSLEMPWAE-HOTGVXAUSA-N -1 3 393.491 3.774 20 0 GHADHM COCc1nnc(N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826166088 895725317 /nfs/dbraw/zinc/72/53/17/895725317.db2.gz VNIOMBPFXAKFIN-GFCCVEGCSA-N -1 3 393.476 3.705 20 0 GHADHM COCc1nnc(N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826166088 895725354 /nfs/dbraw/zinc/72/53/54/895725354.db2.gz VNIOMBPFXAKFIN-GFCCVEGCSA-N -1 3 393.476 3.705 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)c(=O)[n-]1 ZINC000565570008 895730872 /nfs/dbraw/zinc/73/08/72/895730872.db2.gz CAWCNKZQAAUPGA-KRWDZBQOSA-N -1 3 380.275 3.916 20 0 GHADHM CCC[C@H](C)c1cc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)n[nH]1 ZINC000565630456 895772835 /nfs/dbraw/zinc/77/28/35/895772835.db2.gz JGFXNOXGAUQCAK-LBPRGKRZSA-N -1 3 380.452 3.850 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCCc1ccsc1 ZINC000826176277 895805052 /nfs/dbraw/zinc/80/50/52/895805052.db2.gz IONRNTZAJVTUQW-UHFFFAOYSA-N -1 3 376.507 3.682 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCCc1ccsc1 ZINC000826176277 895805066 /nfs/dbraw/zinc/80/50/66/895805066.db2.gz IONRNTZAJVTUQW-UHFFFAOYSA-N -1 3 376.507 3.682 20 0 GHADHM CCc1cccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c1[O-] ZINC000817756701 895885451 /nfs/dbraw/zinc/88/54/51/895885451.db2.gz LILWKKXJGAKXTF-CALCHBBNSA-N -1 3 388.508 3.674 20 0 GHADHM O=S(=O)([N-]CCOc1cccc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC001185625867 914015396 /nfs/dbraw/zinc/01/53/96/914015396.db2.gz UMXVSANZRUFZFO-UHFFFAOYSA-N -1 3 397.283 3.899 20 0 GHADHM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N)cc1[O-] ZINC000817923109 895963441 /nfs/dbraw/zinc/96/34/41/895963441.db2.gz DHNQNNKVMVEBCW-UHFFFAOYSA-N -1 3 396.466 3.989 20 0 GHADHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)o1 ZINC000645729527 914039291 /nfs/dbraw/zinc/03/92/91/914039291.db2.gz XTADASGPZMRDFR-UHFFFAOYSA-N -1 3 398.790 3.576 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2cc(Br)ccc2F)C[C@H]1c1ccccc1 ZINC000566220268 896181673 /nfs/dbraw/zinc/18/16/73/896181673.db2.gz JDMHTPLPFWGGPD-JKSUJKDBSA-N -1 3 378.241 3.888 20 0 GHADHM O=C([O-])CCN(Cc1nc(-c2c(F)cccc2F)cs1)C1CCOCC1 ZINC000566220215 896183729 /nfs/dbraw/zinc/18/37/29/896183729.db2.gz INCSXOYMYNFDTI-UHFFFAOYSA-N -1 3 382.432 3.544 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1OC ZINC000566271901 896209690 /nfs/dbraw/zinc/20/96/90/896209690.db2.gz XDKKVCPFTWQHET-HOTGVXAUSA-N -1 3 380.510 3.612 20 0 GHADHM COc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1C ZINC000826204085 896249564 /nfs/dbraw/zinc/24/95/64/896249564.db2.gz WOZAACIBLSPKPZ-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)cc1C ZINC000566356072 896256103 /nfs/dbraw/zinc/25/61/03/896256103.db2.gz TYVZNOVIMNRZMO-UHFFFAOYSA-N -1 3 389.832 3.614 20 0 GHADHM COc1cccc([C@@H]2CCN(C(=O)c3nnc4ccccc4c3[O-])C2(C)C)c1 ZINC000881655189 896440969 /nfs/dbraw/zinc/44/09/69/896440969.db2.gz IEDYTULAAKDDHF-KRWDZBQOSA-N -1 3 377.444 3.752 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccccc1 ZINC000826232151 896563725 /nfs/dbraw/zinc/56/37/25/896563725.db2.gz ULUNBGUWCSBPGN-LBPRGKRZSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccccc1 ZINC000826232151 896563736 /nfs/dbraw/zinc/56/37/36/896563736.db2.gz ULUNBGUWCSBPGN-LBPRGKRZSA-N -1 3 376.445 3.732 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1csnc1-c1ccccc1 ZINC001185786653 914083068 /nfs/dbraw/zinc/08/30/68/914083068.db2.gz AJRUZKGSDOTUNS-UHFFFAOYSA-N -1 3 399.541 3.889 20 0 GHADHM COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCc1ccc([O-])c(F)c1)C3 ZINC000882010092 896610867 /nfs/dbraw/zinc/61/08/67/896610867.db2.gz JVXLNOWDEDPPRK-UHFFFAOYSA-N -1 3 382.435 3.929 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCC(C)(C)c2ccccc2)c1 ZINC001185794293 914088522 /nfs/dbraw/zinc/08/85/22/914088522.db2.gz DLHSVWMIOCQYRJ-UHFFFAOYSA-N -1 3 393.480 3.649 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)nc1Cl ZINC001185795782 914089939 /nfs/dbraw/zinc/08/99/39/914089939.db2.gz SITGFQOOYVXMJY-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC001136220154 896716425 /nfs/dbraw/zinc/71/64/25/896716425.db2.gz RUGUUVYXQMDYOX-GVXVVHGQSA-N -1 3 393.285 3.761 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1C1CCCCC1 ZINC000826260923 896748580 /nfs/dbraw/zinc/74/85/80/896748580.db2.gz KCBAPLILVNJRJF-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM Cc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1C1CCCCC1 ZINC000826260923 896748584 /nfs/dbraw/zinc/74/85/84/896748584.db2.gz KCBAPLILVNJRJF-AWEZNQCLSA-N -1 3 380.452 3.795 20 0 GHADHM CN(CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])CC(F)(F)F ZINC001136233120 896811865 /nfs/dbraw/zinc/81/18/65/896811865.db2.gz HOGTVGMITWWXCL-UHFFFAOYSA-N -1 3 380.410 3.597 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1F ZINC001185836673 914112731 /nfs/dbraw/zinc/11/27/31/914112731.db2.gz RXDSTVXSRXHQIM-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2[C@@H]1C ZINC000820151819 897193119 /nfs/dbraw/zinc/19/31/19/897193119.db2.gz NNUMUXQEQREQBY-ZDUSSCGKSA-N -1 3 378.436 3.763 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2[C@@H]1C ZINC000820151819 897193128 /nfs/dbraw/zinc/19/31/28/897193128.db2.gz NNUMUXQEQREQBY-ZDUSSCGKSA-N -1 3 378.436 3.763 20 0 GHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000820214173 897212151 /nfs/dbraw/zinc/21/21/51/897212151.db2.gz XPYCGKXMQMVFPA-OAHLLOKOSA-N -1 3 391.214 3.707 20 0 GHADHM CCO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1(CC)CC ZINC001137183435 897245053 /nfs/dbraw/zinc/24/50/53/897245053.db2.gz ITXLIQRDPVSYLC-IRXDYDNUSA-N -1 3 392.446 3.862 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCOc2ccc(Cl)cc2)c1 ZINC001136329339 897278143 /nfs/dbraw/zinc/27/81/43/897278143.db2.gz YHAQWGYNVZUJBC-UHFFFAOYSA-N -1 3 388.851 3.711 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000820500770 897342003 /nfs/dbraw/zinc/34/20/03/897342003.db2.gz GKGKHRJGELCWMO-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000820500770 897342015 /nfs/dbraw/zinc/34/20/15/897342015.db2.gz GKGKHRJGELCWMO-LLVKDONJSA-N -1 3 392.337 3.612 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(c4nncn4C(C)C)CC3)c2c1 ZINC000567979525 897520179 /nfs/dbraw/zinc/52/01/79/897520179.db2.gz QRTNHTGMHPXQSF-UHFFFAOYSA-N -1 3 379.464 3.798 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C(C)(C)C1 ZINC000820741291 897529691 /nfs/dbraw/zinc/52/96/91/897529691.db2.gz BULLGJWYNMOMAD-AWEZNQCLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C(C)(C)C1 ZINC000820741291 897529707 /nfs/dbraw/zinc/52/97/07/897529707.db2.gz BULLGJWYNMOMAD-AWEZNQCLSA-N -1 3 377.448 3.920 20 0 GHADHM CCCOc1c(Br)cc(C=Cc2nccc(=O)[n-]2)cc1OCC ZINC000131742995 897565862 /nfs/dbraw/zinc/56/58/62/897565862.db2.gz MOTYUPPOYICAOI-AATRIKPKSA-N -1 3 379.254 3.890 20 0 GHADHM CCc1c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccc(Cl)cc1 ZINC000568205975 897672930 /nfs/dbraw/zinc/67/29/30/897672930.db2.gz YTVYDSWDCRSCRR-UHFFFAOYSA-N -1 3 383.839 3.713 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821109719 897750004 /nfs/dbraw/zinc/75/00/04/897750004.db2.gz NGOYYJFQIIINDT-INIZCTEOSA-N -1 3 378.480 3.858 20 0 GHADHM CCCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821109719 897750012 /nfs/dbraw/zinc/75/00/12/897750012.db2.gz NGOYYJFQIIINDT-INIZCTEOSA-N -1 3 378.480 3.858 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cc(C)cc(C)c1 ZINC000821230341 897795837 /nfs/dbraw/zinc/79/58/37/897795837.db2.gz HOEQUJWBVQNROX-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cc(C)cc(C)c1 ZINC000821230341 897795845 /nfs/dbraw/zinc/79/58/45/897795845.db2.gz HOEQUJWBVQNROX-UHFFFAOYSA-N -1 3 375.436 3.560 20 0 GHADHM Cc1nscc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826339980 897804991 /nfs/dbraw/zinc/80/49/91/897804991.db2.gz BPCOSJZZQRNUHC-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nscc1C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826339980 897805002 /nfs/dbraw/zinc/80/50/02/897805002.db2.gz BPCOSJZZQRNUHC-GFCCVEGCSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(OC[C@@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001136439004 897853683 /nfs/dbraw/zinc/85/36/83/897853683.db2.gz KXWCWBKDXWMWIW-CYBMUJFWSA-N -1 3 391.493 3.996 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1-n1ccc(NCc2cnc(C3CC3)s2)n1 ZINC000826351133 897934097 /nfs/dbraw/zinc/93/40/97/897934097.db2.gz YFVHEDHXTUMDCC-UHFFFAOYSA-N -1 3 398.883 3.652 20 0 GHADHM COc1ccnc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c1 ZINC001185930225 914209194 /nfs/dbraw/zinc/20/91/94/914209194.db2.gz RDTFCGHKWPSKEL-UHFFFAOYSA-N -1 3 385.464 3.505 20 0 GHADHM C[C@H](NC(=O)CCCCCCCNC(=O)c1ccccc1[O-])c1ccncc1 ZINC001185929624 914209586 /nfs/dbraw/zinc/20/95/86/914209586.db2.gz IVBLENHCYLTYHU-KRWDZBQOSA-N -1 3 383.492 3.735 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC001185998152 914221209 /nfs/dbraw/zinc/22/12/09/914221209.db2.gz SPCYMDPTQMDTOM-ZDUSSCGKSA-N -1 3 388.461 3.663 20 0 GHADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)cc2)ccn1 ZINC001185997468 914223508 /nfs/dbraw/zinc/22/35/08/914223508.db2.gz ZTZFIHDRYQSOCC-UHFFFAOYSA-N -1 3 380.429 3.859 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822231676 898260766 /nfs/dbraw/zinc/26/07/66/898260766.db2.gz COROTJYUTMLTPC-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccc(C2=CCN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822231676 898260781 /nfs/dbraw/zinc/26/07/81/898260781.db2.gz COROTJYUTMLTPC-MRXNPFEDSA-N -1 3 388.475 3.735 20 0 GHADHM Cc1ccc(SC2(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000822266723 898277261 /nfs/dbraw/zinc/27/72/61/898277261.db2.gz FUVAHFYOQXKTNH-UHFFFAOYSA-N -1 3 393.516 3.896 20 0 GHADHM Cc1ccc(SC2(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000822266723 898277273 /nfs/dbraw/zinc/27/72/73/898277273.db2.gz FUVAHFYOQXKTNH-UHFFFAOYSA-N -1 3 393.516 3.896 20 0 GHADHM O=C(c1cc(Br)ccc1[O-])N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001170986081 898326917 /nfs/dbraw/zinc/32/69/17/898326917.db2.gz YSDVXBLIRPPFJG-GOSISDBHSA-N -1 3 398.260 3.666 20 0 GHADHM Cc1nc([C@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)sc1C ZINC000822436397 898368115 /nfs/dbraw/zinc/36/81/15/898368115.db2.gz LCVAPFCWIKTCKS-HNNXBMFYSA-N -1 3 391.504 3.872 20 0 GHADHM Cc1nc([C@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)sc1C ZINC000822436397 898368121 /nfs/dbraw/zinc/36/81/21/898368121.db2.gz LCVAPFCWIKTCKS-HNNXBMFYSA-N -1 3 391.504 3.872 20 0 GHADHM CCOc1cc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc(Cl)c1[O-] ZINC000822508246 898441108 /nfs/dbraw/zinc/44/11/08/898441108.db2.gz QVQAAOPCJLIHNA-HOCLYGCPSA-N -1 3 396.915 3.886 20 0 GHADHM Cc1sc(NC(=O)CN([C@@H](C)c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557544 898474095 /nfs/dbraw/zinc/47/40/95/898474095.db2.gz IWNUGRXRQOJSBL-ZDUSSCGKSA-N -1 3 396.520 3.709 20 0 GHADHM Cc1sc(NC(=O)CN([C@@H](C)c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000822557544 898474101 /nfs/dbraw/zinc/47/41/01/898474101.db2.gz IWNUGRXRQOJSBL-ZDUSSCGKSA-N -1 3 396.520 3.709 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC(C)(C)C1CCCCC1 ZINC001136599418 898483266 /nfs/dbraw/zinc/48/32/66/898483266.db2.gz IJRHXSSKLDMQRY-UHFFFAOYSA-N -1 3 382.508 3.548 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)C(F)(F)F ZINC000289600947 914258821 /nfs/dbraw/zinc/25/88/21/914258821.db2.gz XTASGSKSFRLICB-CYBMUJFWSA-N -1 3 383.439 3.701 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000822627749 898546318 /nfs/dbraw/zinc/54/63/18/898546318.db2.gz QANUPSXCBKOZJU-INIZCTEOSA-N -1 3 384.871 3.616 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000822627749 898546329 /nfs/dbraw/zinc/54/63/29/898546329.db2.gz QANUPSXCBKOZJU-INIZCTEOSA-N -1 3 384.871 3.616 20 0 GHADHM CCCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000155271920 898549496 /nfs/dbraw/zinc/54/94/96/898549496.db2.gz KSIFHLHZSUXRKW-QZTJIDSGSA-N -1 3 383.492 3.513 20 0 GHADHM FC(F)(F)CCc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822718213 898551978 /nfs/dbraw/zinc/55/19/78/898551978.db2.gz CHOBDHWGRKGVAG-UHFFFAOYSA-N -1 3 377.370 3.853 20 0 GHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693230 898571281 /nfs/dbraw/zinc/57/12/81/898571281.db2.gz LUWNOUXACMAWMT-HXUWFJFHSA-N -1 3 396.874 3.767 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)C1(c2ccc3ncccc3c2)CC1 ZINC001186082627 914283770 /nfs/dbraw/zinc/28/37/70/914283770.db2.gz XHGZAJVAMYZXKW-UHFFFAOYSA-N -1 3 384.233 3.768 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(-c3ncco3)c1C)c2=O ZINC000570190624 899184098 /nfs/dbraw/zinc/18/40/98/899184098.db2.gz UCSGHTLQVQMGNV-UHFFFAOYSA-N -1 3 393.374 3.892 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC(C)(C)C1 ZINC000332010112 899334846 /nfs/dbraw/zinc/33/48/46/899334846.db2.gz SURMIWCVTGWYCX-IAGOWNOFSA-N -1 3 386.536 3.966 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3c4ccccc4n(C)c3s2)n1 ZINC000824154897 899430731 /nfs/dbraw/zinc/43/07/31/899430731.db2.gz UXUNOLLFUUAUSQ-UHFFFAOYSA-N -1 3 380.473 3.862 20 0 GHADHM CC(=CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1ccccc1C(F)(F)F ZINC000824154237 899431007 /nfs/dbraw/zinc/43/10/07/899431007.db2.gz KICPVDDVGCCUNT-LUAWRHEFSA-N -1 3 379.382 3.964 20 0 GHADHM C[C@@H]1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000570682958 899504332 /nfs/dbraw/zinc/50/43/32/899504332.db2.gz VHWRTDUQWRDMDE-AYOQOUSVSA-N -1 3 377.444 3.869 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000332265894 899530080 /nfs/dbraw/zinc/53/00/80/899530080.db2.gz OQRBEVHAFLANOM-NSHDSACASA-N -1 3 396.274 3.958 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471273 899616753 /nfs/dbraw/zinc/61/67/53/899616753.db2.gz PXDWISKKAGDCQH-NWDGAFQWSA-N -1 3 389.381 3.909 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471273 899616758 /nfs/dbraw/zinc/61/67/58/899616758.db2.gz PXDWISKKAGDCQH-NWDGAFQWSA-N -1 3 389.381 3.909 20 0 GHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000570842991 899632687 /nfs/dbraw/zinc/63/26/87/899632687.db2.gz UFTDQULHRLIXHO-WIYYLYMNSA-N -1 3 394.515 3.510 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)[C@H]1C ZINC000332541703 899749568 /nfs/dbraw/zinc/74/95/68/899749568.db2.gz XIJHUCLIDSLKTO-GJZGRUSLSA-N -1 3 390.480 3.887 20 0 GHADHM CC[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000825159398 900020915 /nfs/dbraw/zinc/02/09/15/900020915.db2.gz OOKVXZCLDRRMIH-AWEZNQCLSA-N -1 3 387.896 3.707 20 0 GHADHM CC[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000825159398 900020922 /nfs/dbraw/zinc/02/09/22/900020922.db2.gz OOKVXZCLDRRMIH-AWEZNQCLSA-N -1 3 387.896 3.707 20 0 GHADHM CCCCOc1ccc(OC)cc1NCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825296769 900076968 /nfs/dbraw/zinc/07/69/68/900076968.db2.gz VPJXGDUPHHLJPT-UHFFFAOYSA-N -1 3 383.452 3.675 20 0 GHADHM CCCCOc1ccc(OC)cc1NCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825296769 900076977 /nfs/dbraw/zinc/07/69/77/900076977.db2.gz VPJXGDUPHHLJPT-UHFFFAOYSA-N -1 3 383.452 3.675 20 0 GHADHM CCN(C(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367403 900127734 /nfs/dbraw/zinc/12/77/34/900127734.db2.gz PBJZRAVEDREIGF-UHFFFAOYSA-N -1 3 381.402 3.978 20 0 GHADHM CCN(C(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367403 900127745 /nfs/dbraw/zinc/12/77/45/900127745.db2.gz PBJZRAVEDREIGF-UHFFFAOYSA-N -1 3 381.402 3.978 20 0 GHADHM CO[C@H](CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000572533938 900216122 /nfs/dbraw/zinc/21/61/22/900216122.db2.gz FXKUGZMTINFHDD-QZTJIDSGSA-N -1 3 390.277 3.648 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)sc1Br ZINC000573010502 900340951 /nfs/dbraw/zinc/34/09/51/900340951.db2.gz FELVKFXGWAUHRG-NOZJJQNGSA-N -1 3 388.308 3.620 20 0 GHADHM C[C@@H](c1cccnc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000573139352 900387890 /nfs/dbraw/zinc/38/78/90/900387890.db2.gz QUOXSLZKAQTEMW-NSHDSACASA-N -1 3 386.249 3.519 20 0 GHADHM CCCCc1ncc(CN2CCC[C@@H](CO)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748569 900475511 /nfs/dbraw/zinc/47/55/11/900475511.db2.gz SJVHXVNMTKAIAJ-LJQANCHMSA-N -1 3 399.535 3.567 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@@H]1CCCCS1 ZINC000826455309 900627397 /nfs/dbraw/zinc/62/73/97/900627397.db2.gz IYZJDVWUGPPUJS-KRWDZBQOSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@@H]1CCCCS1 ZINC000826455309 900627402 /nfs/dbraw/zinc/62/74/02/900627402.db2.gz IYZJDVWUGPPUJS-KRWDZBQOSA-N -1 3 381.461 3.883 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1CCC(F)(F)C1 ZINC000826455662 900646791 /nfs/dbraw/zinc/64/67/91/900646791.db2.gz YJWVOPVTKZOEGF-UHFFFAOYSA-N -1 3 386.362 3.532 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1CCC(F)(F)C1 ZINC000826455662 900646798 /nfs/dbraw/zinc/64/67/98/900646798.db2.gz YJWVOPVTKZOEGF-UHFFFAOYSA-N -1 3 386.362 3.532 20 0 GHADHM CC(C)CCn1nc(CNC(=O)c2c[n-]c3ccccc3c2=O)c2ccccc21 ZINC000574032908 900753599 /nfs/dbraw/zinc/75/35/99/900753599.db2.gz OVBZZMCOTVHUCX-UHFFFAOYSA-N -1 3 388.471 3.854 20 0 GHADHM CCc1cc2c(CN3CCC4(CC3)C(F)(F)C4(F)F)cc(=O)oc2cc1[O-] ZINC000844382182 900809688 /nfs/dbraw/zinc/80/96/88/900809688.db2.gz AVBWDVLWNCLSCC-UHFFFAOYSA-N -1 3 385.357 3.927 20 0 GHADHM O=S(=O)(CCC1CCC1)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000574200832 900817700 /nfs/dbraw/zinc/81/77/00/900817700.db2.gz GHEROLCPFDDYOJ-MRXNPFEDSA-N -1 3 397.541 3.580 20 0 GHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000574429908 900886696 /nfs/dbraw/zinc/88/66/96/900886696.db2.gz CJHNQLIIDKSJLV-RFAUZJTJSA-N -1 3 375.343 3.645 20 0 GHADHM O=C(NC1CCN(Cc2ccccc2C(F)(F)F)CC1)c1ccc([O-])cc1F ZINC001186340151 914489764 /nfs/dbraw/zinc/48/97/64/914489764.db2.gz XBGQXLRNFJXGET-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM O=c1[n-]c(CN[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)nc2c1COCC2 ZINC000886649812 901208413 /nfs/dbraw/zinc/20/84/13/901208413.db2.gz JKVSDDCTMPXKBR-INIZCTEOSA-N -1 3 384.867 3.557 20 0 GHADHM CCc1c(NC(=O)c2ccc([O-])cn2)n[nH]c1-c1ccc(Br)cc1 ZINC001144349939 901862582 /nfs/dbraw/zinc/86/25/82/901862582.db2.gz JPRIUKGMICHAMI-UHFFFAOYSA-N -1 3 387.237 3.755 20 0 GHADHM CCc1c(NC(=O)c2ccc([O-])cn2)[nH]nc1-c1ccc(Br)cc1 ZINC001144349939 901862595 /nfs/dbraw/zinc/86/25/95/901862595.db2.gz JPRIUKGMICHAMI-UHFFFAOYSA-N -1 3 387.237 3.755 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000333262856 901950064 /nfs/dbraw/zinc/95/00/64/901950064.db2.gz MJUFKFLPOSCUBO-QXAKKESOSA-N -1 3 384.520 3.720 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(OCCOC(C)C)CC2)c1C ZINC000576588126 902111559 /nfs/dbraw/zinc/11/15/59/902111559.db2.gz OHMRPYPWNDXNBN-UHFFFAOYSA-N -1 3 386.492 3.960 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000576755226 902238419 /nfs/dbraw/zinc/23/84/19/902238419.db2.gz UILHURXXAZHYRD-UWWQBHOKSA-N -1 3 378.488 3.604 20 0 GHADHM CCOc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)s2)cc1 ZINC001144502434 902282470 /nfs/dbraw/zinc/28/24/70/902282470.db2.gz JXDKFDJFGCCBIO-AWEZNQCLSA-N -1 3 398.488 3.576 20 0 GHADHM CC(C)c1nnc(CC2CCN(C(=O)c3cccc(C(F)(F)F)c3[O-])CC2)[nH]1 ZINC001144549072 902360231 /nfs/dbraw/zinc/36/02/31/902360231.db2.gz KFZYJTKWCAOWOE-UHFFFAOYSA-N -1 3 396.413 3.747 20 0 GHADHM Cc1nc(NC(=O)c2cccc3n[n-]nc32)sc1Cc1ccc(F)cc1F ZINC000577051006 902467187 /nfs/dbraw/zinc/46/71/87/902467187.db2.gz XVTSMLBQRAZLTQ-UHFFFAOYSA-N -1 3 385.399 3.844 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccnn1-c1ccccc1C(F)(F)F ZINC001144622663 902520594 /nfs/dbraw/zinc/52/05/94/902520594.db2.gz AQJSEASLOKOHAA-UHFFFAOYSA-N -1 3 379.313 3.917 20 0 GHADHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000290343366 914635802 /nfs/dbraw/zinc/63/58/02/914635802.db2.gz DWBPQJZJCQGQRQ-AWEZNQCLSA-N -1 3 380.853 3.656 20 0 GHADHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)C[C@@]1(F)Cl ZINC000845981913 902563018 /nfs/dbraw/zinc/56/30/18/902563018.db2.gz QEGLZYOKFABZAL-NEPJUHHUSA-N -1 3 388.661 3.571 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(F)c([O-])cc1F ZINC001144659687 902610666 /nfs/dbraw/zinc/61/06/66/902610666.db2.gz PBFJWFVGOUIZAX-UYAOXDASSA-N -1 3 375.415 3.982 20 0 GHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl)OC ZINC000600665737 902800494 /nfs/dbraw/zinc/80/04/94/902800494.db2.gz WSSNKUYTYBZZMN-JTQLQIEISA-N -1 3 395.880 3.601 20 0 GHADHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)CCOc1cccc(Cl)c1 ZINC000846233308 902807374 /nfs/dbraw/zinc/80/73/74/902807374.db2.gz GCPDIYGLKGBCSM-JXMROGBWSA-N -1 3 375.852 3.827 20 0 GHADHM Cc1cnc([C@@H](C)N2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)o1 ZINC000577642697 902995530 /nfs/dbraw/zinc/99/55/30/902995530.db2.gz QWIBWXWCVWDIMZ-BYCMXARLSA-N -1 3 379.254 3.607 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H](O)c2cccc(Cl)c2)c([O-])c1 ZINC001144834194 903001483 /nfs/dbraw/zinc/00/14/83/903001483.db2.gz YIQZKIGCUTXISF-INIZCTEOSA-N -1 3 377.824 3.673 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(F)n3)cc2)cc1 ZINC000159390659 903078926 /nfs/dbraw/zinc/07/89/26/903078926.db2.gz VRDSRKCBSRMQMY-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM COc1cccc([C@@H](C)N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001144927288 903188045 /nfs/dbraw/zinc/18/80/45/903188045.db2.gz HEUSRWQXRMUYQK-OAHLLOKOSA-N -1 3 388.895 3.502 20 0 GHADHM CCc1nnc(C[N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)s1 ZINC000577989149 903419079 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Cc1ccc(C(=O)N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC001148507379 904100825 /nfs/dbraw/zinc/10/08/25/904100825.db2.gz NFMWEWMBJGEPDS-FQEVSTJZSA-N -1 3 391.467 3.613 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)cc1 ZINC000578782954 904119039 /nfs/dbraw/zinc/11/90/39/904119039.db2.gz CQYOGIJMIGADST-UHFFFAOYSA-N -1 3 395.452 3.982 20 0 GHADHM CC(=O)c1cc(C(=O)N2CCC3(CC2)OCc2cc(Cl)ccc23)ccc1[O-] ZINC001148661558 904161951 /nfs/dbraw/zinc/16/19/51/904161951.db2.gz AHTJCFRSKSDQPF-UHFFFAOYSA-N -1 3 385.847 3.910 20 0 GHADHM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C(C)=O)c2)cc1C(F)(F)F ZINC001148662265 904162088 /nfs/dbraw/zinc/16/20/88/904162088.db2.gz LPIZPEYCKZATIF-UHFFFAOYSA-N -1 3 380.322 3.824 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000152390788 904262900 /nfs/dbraw/zinc/26/29/00/904262900.db2.gz HUADOIVRRVQYLN-NWDGAFQWSA-N -1 3 395.425 3.647 20 0 GHADHM CN1CCC(N(Cc2ccc(F)cc2)C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC001186780211 914803450 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O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccccc2Br)CC1 ZINC000579500934 904655956 /nfs/dbraw/zinc/65/59/56/904655956.db2.gz GGNNDZRSUYOYAE-UHFFFAOYSA-N -1 3 398.264 3.591 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCn3c(nnc3C3CCCC3)C2)c1C ZINC000579597975 904728218 /nfs/dbraw/zinc/72/82/18/904728218.db2.gz LYFARZHIPMOZKC-UHFFFAOYSA-N -1 3 391.475 3.819 20 0 GHADHM O=c1[n-]c(NC[C@@H]2CCC(=O)N(Cc3ccccc3)C2)c(Cl)cc1Cl ZINC001171520548 904796354 /nfs/dbraw/zinc/79/63/54/904796354.db2.gz AWZZDYHQDYFYRH-ZDUSSCGKSA-N -1 3 380.275 3.945 20 0 GHADHM CCOc1ccc(N(CC2CC2)C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001171642985 904931995 /nfs/dbraw/zinc/93/19/95/904931995.db2.gz FKGIMICRFXZVEK-UHFFFAOYSA-N -1 3 396.487 3.662 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(=O)[n-]1 ZINC000175812396 905673098 /nfs/dbraw/zinc/67/30/98/905673098.db2.gz YMCQNNHCFBSQFM-UHFFFAOYSA-N -1 3 389.446 3.569 20 0 GHADHM O=C(Cc1cccc(F)c1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000176629190 905901059 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COC[C@H](C)N(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000629749511 907009415 /nfs/dbraw/zinc/00/94/15/907009415.db2.gz WSQWIIRPZFJJKI-XOBRGWDASA-N -1 3 382.460 3.515 20 0 GHADHM COc1ccc(OCc2nc(C[N-]c3nnc([C@@H]4CCCO4)o3)cs2)cc1 ZINC000181798505 907082760 /nfs/dbraw/zinc/08/27/60/907082760.db2.gz JUXQGFRIYGTCJM-HNNXBMFYSA-N -1 3 388.449 3.577 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(Cc3ccc(Cl)cc3)s2)c2ccccc21 ZINC000777403004 907508927 /nfs/dbraw/zinc/50/89/27/907508927.db2.gz VSFAFDOAFXRENR-XNTDXEJSSA-N -1 3 396.859 3.505 20 0 GHADHM Brc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Br)n1 ZINC001175425084 907544985 /nfs/dbraw/zinc/54/49/85/907544985.db2.gz LKGTVBCTJWFFSD-UHFFFAOYSA-N -1 3 396.046 3.530 20 0 GHADHM Cc1nc(-c2ccc(N3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)cc2)cc(=O)[n-]1 ZINC000630952074 907546252 /nfs/dbraw/zinc/54/62/52/907546252.db2.gz VWUDZPMTNBBJMS-OAQYLSRUSA-N -1 3 380.448 3.553 20 0 GHADHM COc1ccc(-n2nc3c(c2Nc2ccc(-c4nn[n-]n4)cc2)CSC3)cc1 ZINC001175427824 907548357 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[O-]c1c(Br)cc(Nc2ccc3n[nH]nc3c2)cc1Br ZINC001176002870 907871251 /nfs/dbraw/zinc/87/12/51/907871251.db2.gz WGJGUAWIEZYBHI-UHFFFAOYSA-N -1 3 384.031 3.932 20 0 GHADHM Cc1nc(C[N-]S(=O)(=O)C[C@@H]2CCC2(F)F)oc1-c1ccc(Cl)cc1 ZINC000632087952 907929538 /nfs/dbraw/zinc/92/95/38/907929538.db2.gz LIWLUINRHPNRFI-LBPRGKRZSA-N -1 3 390.839 3.768 20 0 GHADHM CS(=O)(=O)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C(F)(F)F)c1 ZINC001176403959 908099802 /nfs/dbraw/zinc/09/98/02/908099802.db2.gz DPVNPELWFSKNEO-UHFFFAOYSA-N -1 3 397.378 3.744 20 0 GHADHM CN(C)C(=O)c1cccc(Nc2cc(C(=O)N3CCCCC3)ccc2F)c1[O-] ZINC001176687954 908212533 /nfs/dbraw/zinc/21/25/33/908212533.db2.gz DTWULBDNKYJJGS-UHFFFAOYSA-N -1 3 385.439 3.603 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCCC1CCCCC1 ZINC000299523714 921406056 /nfs/dbraw/zinc/40/60/56/921406056.db2.gz PSLRFXZGGGPWAG-UHFFFAOYSA-N -1 3 382.508 3.962 20 0 GHADHM Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000901626948 921411441 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O=C(Nc1ccc(OC(=O)c2cc(C(F)(F)F)n[n-]2)cc1)c1ccccc1 ZINC000773734747 908961329 /nfs/dbraw/zinc/96/13/29/908961329.db2.gz VQPDTHYBDIGHMI-UHFFFAOYSA-N -1 3 375.306 3.900 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(C(F)(F)F)[n-]n2)cc1)c1ccccc1 ZINC000773734747 908961337 /nfs/dbraw/zinc/96/13/37/908961337.db2.gz VQPDTHYBDIGHMI-UHFFFAOYSA-N -1 3 375.306 3.900 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001179183260 909400067 /nfs/dbraw/zinc/40/00/67/909400067.db2.gz QUWNZGXBIUGAJY-GFCCVEGCSA-N -1 3 384.402 3.902 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)Nc3cncc([O-])c3)C2)CC1 ZINC001179235338 909432448 /nfs/dbraw/zinc/43/24/48/909432448.db2.gz XTZOBYDRWQWETF-CQSZACIVSA-N -1 3 375.469 3.543 20 0 GHADHM CCc1ccc(-c2nc(CC(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000636113034 909433042 /nfs/dbraw/zinc/43/30/42/909433042.db2.gz CJEQNKPBFJVHNS-UHFFFAOYSA-N -1 3 396.516 3.771 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)ccc1Br ZINC000636317642 909535864 /nfs/dbraw/zinc/53/58/64/909535864.db2.gz IKYLJXAVIAIFRB-UHFFFAOYSA-N -1 3 396.672 3.796 20 0 GHADHM Cc1csc(-c2cccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)c2)n1 ZINC000636319388 909537182 /nfs/dbraw/zinc/53/71/82/909537182.db2.gz PFTGZQDGYQUGDV-UHFFFAOYSA-N -1 3 380.473 3.812 20 0 GHADHM Cc1ccc(F)c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1Br ZINC000636320901 909542065 /nfs/dbraw/zinc/54/20/65/909542065.db2.gz NAXGZNPUYUKBKR-UHFFFAOYSA-N -1 3 394.244 3.590 20 0 GHADHM CCCc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)s1 ZINC000637370022 909794577 /nfs/dbraw/zinc/79/45/77/909794577.db2.gz ZWZDMBIZXTUEEJ-UHFFFAOYSA-N -1 3 396.232 3.896 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000268266362 909815520 /nfs/dbraw/zinc/81/55/20/909815520.db2.gz NUJXMKQYISORGD-KRWDZBQOSA-N -1 3 382.508 3.770 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000268302066 909826505 /nfs/dbraw/zinc/82/65/05/909826505.db2.gz VASFKDHJTHQYKP-GJZGRUSLSA-N -1 3 399.491 3.706 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000268302071 909826673 /nfs/dbraw/zinc/82/66/73/909826673.db2.gz VASFKDHJTHQYKP-HUUCEWRRSA-N -1 3 399.491 3.706 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C)n1 ZINC000268366159 909851738 /nfs/dbraw/zinc/85/17/38/909851738.db2.gz UEOLOIZNCYEKOU-LLVKDONJSA-N -1 3 391.884 3.705 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(OC)cc2)c2ccccc2)[n-]n1 ZINC001180011322 909880486 /nfs/dbraw/zinc/88/04/86/909880486.db2.gz GQHGETSLNXBLMW-SFHVURJKSA-N -1 3 393.443 3.560 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(OC)cc2)c2ccccc2)n[n-]1 ZINC001180011322 909880492 /nfs/dbraw/zinc/88/04/92/909880492.db2.gz GQHGETSLNXBLMW-SFHVURJKSA-N -1 3 393.443 3.560 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(c2ccccn2)[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC000637772824 909971302 /nfs/dbraw/zinc/97/13/02/909971302.db2.gz PZICXUSWTSWQJF-MRXNPFEDSA-N -1 3 376.460 3.921 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccc(OCC(F)(F)F)c1 ZINC001180221590 910022388 /nfs/dbraw/zinc/02/23/88/910022388.db2.gz KIOWKARUVUPTSU-MQMHXKEQSA-N -1 3 395.381 3.580 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)n[n-]2)cc1 ZINC001180832114 910368021 /nfs/dbraw/zinc/36/80/21/910368021.db2.gz AIDLEPZJURKLBO-SFHVURJKSA-N -1 3 394.500 3.964 20 0 GHADHM CC(C)(C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccccc1C(F)(F)F ZINC001180886741 910390750 /nfs/dbraw/zinc/39/07/50/910390750.db2.gz RFCLZMVJQXOAEB-UHFFFAOYSA-N -1 3 391.349 3.976 20 0 GHADHM CC1CCN([C@@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000901796761 921574964 /nfs/dbraw/zinc/57/49/64/921574964.db2.gz SSOSQMONOYSSJU-WRLNGNIRSA-N -1 3 388.489 3.642 20 0 GHADHM CCCn1nc(C)c(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)c1C ZINC000901797171 921575487 /nfs/dbraw/zinc/57/54/87/921575487.db2.gz ARDDNSKDGWJJJZ-UHFFFAOYSA-N -1 3 376.526 3.753 20 0 GHADHM COCCOc1ccccc1CN1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000901799089 921578196 /nfs/dbraw/zinc/57/81/96/921578196.db2.gz WLMVTXLVFMBEEN-UHFFFAOYSA-N -1 3 390.505 3.555 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000270705309 910669603 /nfs/dbraw/zinc/66/96/03/910669603.db2.gz YZHKQQYXWBUCGE-DOMZBBRYSA-N -1 3 385.302 3.548 20 0 GHADHM COc1cc(Br)cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000270820592 910708962 /nfs/dbraw/zinc/70/89/62/910708962.db2.gz DNVLTIFATFZIDX-UHFFFAOYSA-N -1 3 394.269 3.812 20 0 GHADHM Cc1cc(SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)cc1Cl ZINC001181524623 910818610 /nfs/dbraw/zinc/81/86/10/910818610.db2.gz ZWSFFQBKGKTORH-UHFFFAOYSA-N -1 3 387.896 3.545 20 0 GHADHM Cc1cc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)cc1Cl ZINC001181524623 910818625 /nfs/dbraw/zinc/81/86/25/910818625.db2.gz ZWSFFQBKGKTORH-UHFFFAOYSA-N -1 3 387.896 3.545 20 0 GHADHM COc1cccc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)c1[O-] ZINC000273907155 911098914 /nfs/dbraw/zinc/09/89/14/911098914.db2.gz KHZONFPQZDNTSZ-LBPRGKRZSA-N -1 3 388.807 3.939 20 0 GHADHM O=C(CCSc1ccc2ccccc2c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC001182159570 911215594 /nfs/dbraw/zinc/21/55/94/911215594.db2.gz WHDJMNPLXDOVNO-UHFFFAOYSA-N -1 3 389.484 3.819 20 0 GHADHM O=C(CCSc1ccc2ccccc2c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001182159570 911215614 /nfs/dbraw/zinc/21/56/14/911215614.db2.gz WHDJMNPLXDOVNO-UHFFFAOYSA-N -1 3 389.484 3.819 20 0 GHADHM C[C@@H](NCc1nnn(-c2ccccc2)c1C1CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901877246 921675779 /nfs/dbraw/zinc/67/57/79/921675779.db2.gz VVLKNQYAAVTEDK-UZLBHIALSA-N -1 3 390.487 3.566 20 0 GHADHM CCCCOc1ccc(C(=O)NCC(=O)OCc2ccccc2Cl)c([O-])c1 ZINC001182666796 911933575 /nfs/dbraw/zinc/93/35/75/911933575.db2.gz DREZBUFAKKEVNK-UHFFFAOYSA-N -1 3 391.851 3.698 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000642323633 911982398 /nfs/dbraw/zinc/98/23/98/911982398.db2.gz XMGGBODXMJVKAW-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000284678673 911985384 /nfs/dbraw/zinc/98/53/84/911985384.db2.gz ZIQOCFMMSNOOLP-UHFFFAOYSA-N -1 3 389.399 3.577 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@H]1CCc2c([nH]c3ccccc32)C1 ZINC001182713293 911998786 /nfs/dbraw/zinc/99/87/86/911998786.db2.gz AHLLYRNIYKJVDY-NSHDSACASA-N -1 3 382.391 3.543 20 0 GHADHM C[C@@H](C(=O)N=c1ncnc2[nH][n-]cc1-2)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182883679 912100387 /nfs/dbraw/zinc/10/03/87/912100387.db2.gz QWBWVMVXHQQCNI-SNVBAGLBSA-N -1 3 390.834 3.757 20 0 GHADHM O=C([O-])[C@]1(O)CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000901900824 921717354 /nfs/dbraw/zinc/71/73/54/921717354.db2.gz HSYKPCIPLGKYLH-SFHVURJKSA-N -1 3 381.350 3.519 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001182972993 912194327 /nfs/dbraw/zinc/19/43/27/912194327.db2.gz PSWXDNFWZKAMDS-UHFFFAOYSA-N -1 3 394.377 3.610 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc2)CC1 ZINC000901918167 921731685 /nfs/dbraw/zinc/73/16/85/921731685.db2.gz UKYHDMQEMIUWNI-DUIUGDAFSA-N -1 3 382.460 3.580 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC001187003555 914971168 /nfs/dbraw/zinc/97/11/68/914971168.db2.gz AEBYMMAHXLVCPM-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM CCOC(=O)[C@H](CC1CCC1)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187084314 915024085 /nfs/dbraw/zinc/02/40/85/915024085.db2.gz GTPURUVLWYCWBR-HNNXBMFYSA-N -1 3 394.320 3.535 20 0 GHADHM CS(=O)(=O)c1c(F)cccc1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001275616127 915336398 /nfs/dbraw/zinc/33/63/98/915336398.db2.gz RCXWSDCBBOXEJO-UHFFFAOYSA-N -1 3 384.841 3.745 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1F)c1cccc(Br)c1F ZINC001187583493 915350431 /nfs/dbraw/zinc/35/04/31/915350431.db2.gz PDPSRCTVCHUYEF-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1csnc1-c1ccccc1 ZINC000647891825 915427650 /nfs/dbraw/zinc/42/76/50/915427650.db2.gz JVWFNKNLUWISHL-UHFFFAOYSA-N -1 3 387.511 3.898 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)Nc2ccc3c(c2)OCO3)c1-c1ccccc1 ZINC001187834612 915552793 /nfs/dbraw/zinc/55/27/93/915552793.db2.gz YVYKRKHCHPQIHS-UHFFFAOYSA-N -1 3 395.371 3.891 20 0 GHADHM Cc1ccccc1-c1cc(C(=O)[N-]c2nonc2-c2nc3ccccc3[nH]2)n[nH]1 ZINC001187963379 915612811 /nfs/dbraw/zinc/61/28/11/915612811.db2.gz JDLGHSUGPJKUKS-UHFFFAOYSA-N -1 3 385.387 3.564 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CC1)c1cnc(Cl)c(Cl)c1 ZINC001188088906 915747130 /nfs/dbraw/zinc/74/71/30/915747130.db2.gz WNDFSHHCWUMIII-UHFFFAOYSA-N -1 3 379.215 3.634 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2c(F)cccc21)c1cnc(Cl)c(Cl)c1 ZINC001188097642 915754315 /nfs/dbraw/zinc/75/43/15/915754315.db2.gz MUCISNSLJTVXIX-CQSZACIVSA-N -1 3 375.252 3.883 20 0 GHADHM O=S(=O)([N-][C@H](c1ccncc1Cl)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188098168 915756135 /nfs/dbraw/zinc/75/61/35/915756135.db2.gz KOSZQDMKLAMLHY-ZDUSSCGKSA-N -1 3 392.695 3.866 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl)c1cncnc1 ZINC001188194163 915803652 /nfs/dbraw/zinc/80/36/52/915803652.db2.gz NSUGOGNUQHGFDP-JTQLQIEISA-N -1 3 394.884 3.608 20 0 GHADHM CCCc1ccccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC001188239392 915816396 /nfs/dbraw/zinc/81/63/96/915816396.db2.gz PXSJMJVKPLWRFQ-UHFFFAOYSA-N -1 3 384.295 3.586 20 0 GHADHM O=S(=O)([N-]c1ncc(Br)cc1F)C1=Cc2ccccc2OCC1 ZINC000775171313 916023151 /nfs/dbraw/zinc/02/31/51/916023151.db2.gz VHPSVJUYUHTMHY-UHFFFAOYSA-N -1 3 399.241 3.549 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001188508681 916023286 /nfs/dbraw/zinc/02/32/86/916023286.db2.gz YYLOIIRBKJZXHH-JKSUJKDBSA-N -1 3 380.535 3.682 20 0 GHADHM CCCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCc2ncsc2C1 ZINC000649161654 916046760 /nfs/dbraw/zinc/04/67/60/916046760.db2.gz DHWILWFKPVAZPO-AWEZNQCLSA-N -1 3 381.501 3.784 20 0 GHADHM Cc1ccc(C=Cc2nc(SCc3nnc(-c4ccccc4[O-])o3)n[nH]2)o1 ZINC001188581465 916063904 /nfs/dbraw/zinc/06/39/04/916063904.db2.gz FIGFRXZLQVSNLW-CMDGGOBGSA-N -1 3 381.417 3.924 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cccc(Br)c2)ccc1C(C)=O ZINC001188683485 916107428 /nfs/dbraw/zinc/10/74/28/916107428.db2.gz GOJYMJMWWPANMO-UHFFFAOYSA-N -1 3 398.278 3.602 20 0 GHADHM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cccc(Cl)c1CO ZINC001188683968 916108017 /nfs/dbraw/zinc/10/80/17/916108017.db2.gz MGDZXNCWSXELGM-UHFFFAOYSA-N -1 3 390.686 3.537 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2csnn2)cc1 ZINC001188923516 916272254 /nfs/dbraw/zinc/27/22/54/916272254.db2.gz WGJVEFVXIDOIFZ-UHFFFAOYSA-N -1 3 376.235 3.926 20 0 GHADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001189185883 916447602 /nfs/dbraw/zinc/44/76/02/916447602.db2.gz OFNANRIHDKRMTD-UHFFFAOYSA-N -1 3 384.723 3.826 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000649828201 916456262 /nfs/dbraw/zinc/45/62/62/916456262.db2.gz CCIVMGOZDFYGNJ-AWEZNQCLSA-N -1 3 383.473 3.577 20 0 GHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1nc(Cl)c(Cl)nc1Cl ZINC001189277749 916532620 /nfs/dbraw/zinc/53/26/20/916532620.db2.gz SJFUJWPILNSPQL-UHFFFAOYSA-N -1 3 388.610 3.657 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCN2CCC3(CCCCC3)CC2)c(F)c1 ZINC001189629446 916789241 /nfs/dbraw/zinc/78/92/41/916789241.db2.gz KCCZATGANKAXSJ-UHFFFAOYSA-N -1 3 386.508 3.598 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)c([O-])c1 ZINC001189697304 916838226 /nfs/dbraw/zinc/83/82/26/916838226.db2.gz VLNPWCSZIPHTSV-UHFFFAOYSA-N -1 3 379.416 3.990 20 0 GHADHM Nc1ccnc(-c2cc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])ccn2)c1 ZINC001189749786 916871387 /nfs/dbraw/zinc/87/13/87/916871387.db2.gz WJFUDFXGIWZDCY-UHFFFAOYSA-N -1 3 390.321 3.582 20 0 GHADHM CC1(C)NC(=O)Nc2ccc(NC(=O)c3cccc(OC(F)(F)F)c3[O-])cc21 ZINC001189766754 916901683 /nfs/dbraw/zinc/90/16/83/916901683.db2.gz QAPCWNGRHLVAIK-UHFFFAOYSA-N -1 3 395.337 3.913 20 0 GHADHM Cn1c(CNC(=O)c2cccc(OC(F)(F)F)c2[O-])ccc1C(F)(F)F ZINC001189767037 916904035 /nfs/dbraw/zinc/90/40/35/916904035.db2.gz ZLUPXAJBIKJJDV-UHFFFAOYSA-N -1 3 382.260 3.578 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC001189980870 917039704 /nfs/dbraw/zinc/03/97/04/917039704.db2.gz KEEKHBNPVHJXMR-JTQLQIEISA-N -1 3 394.802 3.982 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)c2c(C)noc2C)c(-c2ccccc2)s1 ZINC001190087521 917087050 /nfs/dbraw/zinc/08/70/50/917087050.db2.gz NHEQOWIOKKLMHY-UHFFFAOYSA-N -1 3 391.518 3.937 20 0 GHADHM Cc1csc([C@H](NCc2cc(=O)oc3c(C)c([O-])ccc23)C(F)(F)F)n1 ZINC000295534744 917346250 /nfs/dbraw/zinc/34/62/50/917346250.db2.gz VQWAWTPLVNQVNA-HNNXBMFYSA-N -1 3 384.379 3.965 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1ccccc1 ZINC001190464894 917361441 /nfs/dbraw/zinc/36/14/41/917361441.db2.gz XLYKGPXNAJTACG-IBGZPJMESA-N -1 3 387.501 3.925 20 0 GHADHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001190465803 917361944 /nfs/dbraw/zinc/36/19/44/917361944.db2.gz PHSNLCXRKHKRLB-JTQLQIEISA-N -1 3 399.319 3.766 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1Cl ZINC001190576501 917419422 /nfs/dbraw/zinc/41/94/22/917419422.db2.gz YRGAYKQOCQIIRD-UHFFFAOYSA-N -1 3 390.244 3.595 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)c2ccccc21 ZINC001190592384 917435285 /nfs/dbraw/zinc/43/52/85/917435285.db2.gz GRAGLLMIRYRNHG-BDJLRTHQSA-N -1 3 379.865 3.653 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C)c2ccccc21 ZINC001190592385 917435862 /nfs/dbraw/zinc/43/58/62/917435862.db2.gz GRAGLLMIRYRNHG-BZNIZROVSA-N -1 3 379.865 3.653 20 0 GHADHM O=C(Nc1ccccc1OC(F)(F)F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001190686193 917514377 /nfs/dbraw/zinc/51/43/77/917514377.db2.gz ZVXXFVLDSCWNMB-UHFFFAOYSA-N -1 3 380.282 3.584 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000651497903 917623805 /nfs/dbraw/zinc/62/38/05/917623805.db2.gz CIQTZTHMVWDHPM-JKIFEVAISA-N -1 3 388.895 3.825 20 0 GHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001190910433 917658115 /nfs/dbraw/zinc/65/81/15/917658115.db2.gz RCVFMSABWFCPJI-UHFFFAOYSA-N -1 3 379.243 3.756 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1F ZINC000363040536 917666456 /nfs/dbraw/zinc/66/64/56/917666456.db2.gz XAUHLFWQFIYXGY-UHFFFAOYSA-N -1 3 386.814 3.916 20 0 GHADHM CCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1C(C)(C)C ZINC000363063658 917709747 /nfs/dbraw/zinc/70/97/47/917709747.db2.gz IEFJCWXRILGGOZ-UHFFFAOYSA-N -1 3 379.464 3.512 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000296032185 917771822 /nfs/dbraw/zinc/77/18/22/917771822.db2.gz LWLVPLACOVCHLF-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM COc1cc(C(=O)N2CCC(c3n[nH]c4ccccc43)CC2)cc(Cl)c1[O-] ZINC001191148377 917785295 /nfs/dbraw/zinc/78/52/95/917785295.db2.gz ZQPQOIHRKPYGMP-UHFFFAOYSA-N -1 3 385.851 3.950 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](C)C(=O)N3C)cc1 ZINC001191252839 917848490 /nfs/dbraw/zinc/84/84/90/917848490.db2.gz GGSPYBXAFPTMQO-OAHLLOKOSA-N -1 3 386.517 3.985 20 0 GHADHM COc1ccc(C(=O)Nc2ncc([O-])cc2Br)cc1OCC1CC1 ZINC001191624309 918082031 /nfs/dbraw/zinc/08/20/31/918082031.db2.gz DIWABIOVFCASDR-UHFFFAOYSA-N -1 3 393.237 3.599 20 0 GHADHM COc1ccc(C(C)C)cc1S(=O)(=O)[N-][C@@H](c1cccnc1)C(F)(F)F ZINC001191708237 918132563 /nfs/dbraw/zinc/13/25/63/918132563.db2.gz RKCCMRFMFXSVNH-INIZCTEOSA-N -1 3 388.411 3.796 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccn(CC3CC3)c2=O)c1Cl ZINC001191772329 918177349 /nfs/dbraw/zinc/17/73/49/918177349.db2.gz SVVRPGBDISRRPP-UHFFFAOYSA-N -1 3 387.288 3.674 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccc(-c2ccccn2)nc1 ZINC001191875089 918276066 /nfs/dbraw/zinc/27/60/66/918276066.db2.gz RUHUQVRJYJZCCA-UHFFFAOYSA-N -1 3 377.828 3.878 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]Cc1cc(-c2ccccc2F)no1 ZINC001191931953 918305760 /nfs/dbraw/zinc/30/57/60/918305760.db2.gz LBZAXVGYBCIWIA-UHFFFAOYSA-N -1 3 398.818 3.893 20 0 GHADHM O=S(=O)([N-]c1cc(Cl)ncc1Br)C(Cl)(Cl)Cl ZINC001192001190 918334029 /nfs/dbraw/zinc/33/40/29/918334029.db2.gz HWHYFZRECXGZPL-UHFFFAOYSA-N -1 3 388.885 3.567 20 0 GHADHM O=S(=O)([N-]Cc1cccc(-c2cnco2)c1)c1csc(-c2ccccc2)n1 ZINC001192021206 918361448 /nfs/dbraw/zinc/36/14/48/918361448.db2.gz GUHNLPXAFFAHHK-UHFFFAOYSA-N -1 3 397.481 3.944 20 0 GHADHM Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000363768212 918825029 /nfs/dbraw/zinc/82/50/29/918825029.db2.gz QNAMHVLWYBPJJM-SFHVURJKSA-N -1 3 375.472 3.578 20 0 GHADHM CCCOc1ccc(C(=O)N[N-]C(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000015476912 919376768 /nfs/dbraw/zinc/37/67/68/919376768.db2.gz YQYOJTQUTZHBAU-UHFFFAOYSA-N -1 3 397.258 3.866 20 0 GHADHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1C ZINC000119408342 919629196 /nfs/dbraw/zinc/62/91/96/919629196.db2.gz BXGRNHJHYLDVDU-UHFFFAOYSA-N -1 3 378.469 3.772 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000800262271 919800434 /nfs/dbraw/zinc/80/04/34/919800434.db2.gz HSSWDUDVIXQFNE-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000800262271 919800446 /nfs/dbraw/zinc/80/04/46/919800446.db2.gz HSSWDUDVIXQFNE-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000800262271 919800455 /nfs/dbraw/zinc/80/04/55/919800455.db2.gz HSSWDUDVIXQFNE-SSDOTTSWSA-N -1 3 397.193 3.588 20 0 GHADHM O=C(OCc1ccc(OCc2ccccc2F)nc1)c1cc(F)cc2[n-]nnc21 ZINC000800263357 919807183 /nfs/dbraw/zinc/80/71/83/919807183.db2.gz WOXIVZDNWNEZGW-UHFFFAOYSA-N -1 3 396.353 3.567 20 0 GHADHM O=C(OCc1ccc(OCc2ccccc2F)nc1)c1cc(F)cc2nn[n-]c21 ZINC000800263357 919807202 /nfs/dbraw/zinc/80/72/02/919807202.db2.gz WOXIVZDNWNEZGW-UHFFFAOYSA-N -1 3 396.353 3.567 20 0 GHADHM O=C(OCc1ccc(OCc2ccccc2F)nc1)c1cc(F)cc2n[n-]nc21 ZINC000800263357 919807217 /nfs/dbraw/zinc/80/72/17/919807217.db2.gz WOXIVZDNWNEZGW-UHFFFAOYSA-N -1 3 396.353 3.567 20 0 GHADHM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2C1 ZINC000800839319 920515407 /nfs/dbraw/zinc/51/54/07/920515407.db2.gz DJOQYOZDDLXRRN-MRXNPFEDSA-N -1 3 385.407 3.928 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000900758910 920579763 /nfs/dbraw/zinc/57/97/63/920579763.db2.gz SCDWAWVDVUROJJ-LJQANCHMSA-N -1 3 375.852 3.640 20 0 GHADHM COc1ccccc1[C@@H](CNc1nc(C)c(C(=O)[O-])s1)N1CCCCC1 ZINC000900935301 920745426 /nfs/dbraw/zinc/74/54/26/920745426.db2.gz SMDMWSJAHVZNPL-OAHLLOKOSA-N -1 3 375.494 3.797 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cc(C(=O)[O-])cs3)C2)cc1 ZINC000901427779 921096355 /nfs/dbraw/zinc/09/63/55/921096355.db2.gz DZAYRPPKLDIXMT-HNNXBMFYSA-N -1 3 387.505 3.788 20 0 GHADHM Cc1cc(CNCc2cccc(NC(=O)C3CCC3)c2)cc(C)c1OCC(=O)[O-] ZINC000902102524 921879098 /nfs/dbraw/zinc/87/90/98/921879098.db2.gz XJMZWAVONXYCFK-UHFFFAOYSA-N -1 3 396.487 3.795 20 0 GHADHM O=C([O-])Cn1cc(CN[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)nn1 ZINC000902351826 922113178 /nfs/dbraw/zinc/11/31/78/922113178.db2.gz RMZOXVYRZHSGKE-RDJZCZTQSA-N -1 3 396.413 3.588 20 0 GHADHM Cc1cc(Br)c(OCC(=O)[O-])c(CN2CCC3(CCC3)CC2)c1 ZINC000902429986 922188673 /nfs/dbraw/zinc/18/86/73/922188673.db2.gz BDEXQFIXGDSLAX-UHFFFAOYSA-N -1 3 382.298 3.987 20 0 GHADHM O=C([O-])c1ccc(COc2ccccc2CN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000902528733 922258360 /nfs/dbraw/zinc/25/83/60/922258360.db2.gz SFSCFDBKXWOGJE-SFTDATJTSA-N -1 3 381.472 3.965 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000803104948 922703585 /nfs/dbraw/zinc/70/35/85/922703585.db2.gz DDGLWAKQKRANJA-GOSISDBHSA-N -1 3 378.394 3.531 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(-c4ccncc4)cc3)nc2)n1 ZINC000369396962 923319536 /nfs/dbraw/zinc/31/95/36/923319536.db2.gz BZDIXBGQMCVMGV-UHFFFAOYSA-N -1 3 383.455 3.903 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000903936852 923411497 /nfs/dbraw/zinc/41/14/97/923411497.db2.gz XTQHGJWZQOZTOO-OAHLLOKOSA-N -1 3 382.298 3.786 20 0 GHADHM Cc1c(Br)cccc1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903940367 923415788 /nfs/dbraw/zinc/41/57/88/923415788.db2.gz CXZJQUDHIYINQY-JQFCIGGWSA-N -1 3 382.298 3.602 20 0 GHADHM CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000748859628 923867952 /nfs/dbraw/zinc/86/79/52/923867952.db2.gz YBYNHFPEUKZSEL-CABCVRRESA-N -1 3 376.384 3.733 20 0 GHADHM CCc1nc(C[N-]C(=O)C(F)(F)c2ccc(Br)cc2)cs1 ZINC000826796042 924206504 /nfs/dbraw/zinc/20/65/04/924206504.db2.gz GLKHMYQGVAMLSI-UHFFFAOYSA-N -1 3 375.238 3.876 20 0 GHADHM Cc1nnc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)s1 ZINC000678613235 924839702 /nfs/dbraw/zinc/83/97/02/924839702.db2.gz UMNVUIVVSHLERX-UHFFFAOYSA-N -1 3 390.881 3.627 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CCC(F)(F)C1 ZINC000679568487 925183862 /nfs/dbraw/zinc/18/38/62/925183862.db2.gz VMVUFPCUPXSWQL-SJLPKXTDSA-N -1 3 388.414 3.557 20 0 GHADHM [O-]c1ccccc1-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 ZINC000372546817 925526568 /nfs/dbraw/zinc/52/65/68/925526568.db2.gz XENHRVKRWXIBBT-UHFFFAOYSA-N -1 3 392.444 3.723 20 0 GHADHM Cc1cnc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])c2)o1 ZINC000372604544 925573038 /nfs/dbraw/zinc/57/30/38/925573038.db2.gz NNGROPYFDRHESK-SFHVURJKSA-N -1 3 391.427 3.599 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCOCC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000681375642 925804365 /nfs/dbraw/zinc/80/43/65/925804365.db2.gz QHNYYBLMGOYUNU-UHFFFAOYSA-N -1 3 382.464 3.582 20 0 GHADHM CC1C[C@H](C(=O)Nc2c([O-])cccc2F)[C@@H](C(=O)Nc2c(O)cccc2F)C1 ZINC000681480810 925829775 /nfs/dbraw/zinc/82/97/75/925829775.db2.gz GQWXDXKLTNTGKX-RYUDHWBXSA-N -1 3 390.386 3.616 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCCC12CCC2 ZINC000373117353 925868551 /nfs/dbraw/zinc/86/85/51/925868551.db2.gz FRGQYFUSKAEZRM-UHFFFAOYSA-N -1 3 388.464 3.785 20 0 GHADHM C[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000682392044 926096618 /nfs/dbraw/zinc/09/66/18/926096618.db2.gz RJLYNNRKXVNTRQ-UONOGXRCSA-N -1 3 393.484 3.653 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)cc1Cl ZINC000682709303 926214586 /nfs/dbraw/zinc/21/45/86/926214586.db2.gz XBCJUTAILZQBFJ-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)c1Br ZINC000682857296 926273408 /nfs/dbraw/zinc/27/34/08/926273408.db2.gz SYTCCNNECWAWBN-UHFFFAOYSA-N -1 3 397.294 3.690 20 0 GHADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000071211048 926385191 /nfs/dbraw/zinc/38/51/91/926385191.db2.gz VHXQMRPBTYUXHC-GZMMTYOYSA-N -1 3 397.132 3.679 20 0 GHADHM CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000725878689 926477305 /nfs/dbraw/zinc/47/73/05/926477305.db2.gz NTTXWBDPTBUVGM-UHFFFAOYSA-N -1 3 399.450 3.904 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1F ZINC000725991425 926523201 /nfs/dbraw/zinc/52/32/01/926523201.db2.gz JGKZOFUHXGUEPB-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000726519644 926723235 /nfs/dbraw/zinc/72/32/35/926723235.db2.gz XHWQNOFEZFAPGC-FMIVXFBMSA-N -1 3 378.837 3.709 20 0 GHADHM CC[C@@H](C)N1CCC2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)C1=O ZINC001276198783 927156209 /nfs/dbraw/zinc/15/62/09/927156209.db2.gz RTSUSYCEIMUGCM-CQSZACIVSA-N -1 3 378.900 3.651 20 0 GHADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000749795533 927274287 /nfs/dbraw/zinc/27/42/87/927274287.db2.gz MEKAVCFRTDXABL-HZPDHXFCSA-N -1 3 394.446 3.835 20 0 GHADHM COCC[C@@H](Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)c1ccccc1 ZINC000412988198 928077704 /nfs/dbraw/zinc/07/77/04/928077704.db2.gz CVQLFUDOLJGNNF-OAHLLOKOSA-N -1 3 399.472 3.695 20 0 GHADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc2O1 ZINC000751539372 928238731 /nfs/dbraw/zinc/23/87/31/928238731.db2.gz WIYYKPMSWVGXHM-FQEVSTJZSA-N -1 3 397.452 3.507 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751730155 928352807 /nfs/dbraw/zinc/35/28/07/928352807.db2.gz BIMGIWPNLPZXTJ-JTQLQIEISA-N -1 3 383.778 3.700 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4[nH]c(=O)n(C)c4c3)nc(=O)c2c1C ZINC000751868128 928439255 /nfs/dbraw/zinc/43/92/55/928439255.db2.gz JSFSPDOSFQYOPY-VIFPVBQESA-N -1 3 398.444 3.524 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c1cccs1 ZINC000752022732 928555912 /nfs/dbraw/zinc/55/59/12/928555912.db2.gz DNOKJGLVDCTXHU-IINYFYTJSA-N -1 3 383.466 3.732 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)ccc1F ZINC000752520953 928864584 /nfs/dbraw/zinc/86/45/84/928864584.db2.gz GANCWIGCEZDWNY-UHFFFAOYSA-N -1 3 391.251 3.601 20 0 GHADHM O=C(C=Cc1ccc(-c2ccc(F)cc2)s1)N1CCc2c(=O)[n-]cnc2C1 ZINC000752778735 929019462 /nfs/dbraw/zinc/01/94/62/929019462.db2.gz ZNPZDHDOMAPPOQ-VURMDHGXSA-N -1 3 381.432 3.648 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)n1 ZINC000544345443 929075838 /nfs/dbraw/zinc/07/58/38/929075838.db2.gz NGQBQKJSLFCYRN-UHFFFAOYSA-N -1 3 387.798 3.790 20 0 GHADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])cnn1-c1ccc(Br)cc1 ZINC000544346805 929076829 /nfs/dbraw/zinc/07/68/29/929076829.db2.gz KJNLULWEVXGXKO-UHFFFAOYSA-N -1 3 387.237 3.605 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1csc(Nc2ccccn2)n1 ZINC000467717028 929331835 /nfs/dbraw/zinc/33/18/35/929331835.db2.gz XEMOTKLCAMMPHC-UHFFFAOYSA-N -1 3 398.398 3.624 20 0 GHADHM Cn1nc(C(F)(F)F)c(CO[N-]C(=O)CCCc2ccccc2)c1Cl ZINC000753567889 929422674 /nfs/dbraw/zinc/42/26/74/929422674.db2.gz DIZZZDNVRFZPMZ-UHFFFAOYSA-N -1 3 375.778 3.663 20 0 GHADHM CON(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000757631096 929751027 /nfs/dbraw/zinc/75/10/27/929751027.db2.gz YCWUJSGNBRFMFO-HXUWFJFHSA-N -1 3 382.460 3.586 20 0 GHADHM O=S(=O)([N-]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccco1 ZINC000469289317 929764087 /nfs/dbraw/zinc/76/40/87/929764087.db2.gz DOKAYCTVAMLZDA-UHFFFAOYSA-N -1 3 379.787 3.962 20 0 GHADHM CCC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000757741938 929787165 /nfs/dbraw/zinc/78/71/65/929787165.db2.gz RFHZLRKCODLPAZ-AWEZNQCLSA-N -1 3 384.517 3.555 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469337856 929799448 /nfs/dbraw/zinc/79/94/48/929799448.db2.gz ZVIJQNLQYAHTMT-UHFFFAOYSA-N -1 3 386.467 3.652 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)ccc1F ZINC000469360101 929819211 /nfs/dbraw/zinc/81/92/11/929819211.db2.gz HTEXIQKFXKHWLA-CQSZACIVSA-N -1 3 399.312 3.694 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccc(Br)cc1 ZINC000469386664 929838717 /nfs/dbraw/zinc/83/87/17/929838717.db2.gz RLQZJTZJASKRDN-UHFFFAOYSA-N -1 3 380.257 3.975 20 0 GHADHM CC(C)c1ccc(-c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)c([O-])c1 ZINC000758296794 930004501 /nfs/dbraw/zinc/00/45/01/930004501.db2.gz GFJKLPBQPQCEBF-HNNXBMFYSA-N -1 3 389.452 3.874 20 0 GHADHM CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000758297303 930005068 /nfs/dbraw/zinc/00/50/68/930005068.db2.gz RZRHYSHGUGYYIX-INIZCTEOSA-N -1 3 397.431 3.904 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cc(OC)c1[O-] ZINC000546549350 930257218 /nfs/dbraw/zinc/25/72/18/930257218.db2.gz GOCGPLHQNYRFCN-CQSZACIVSA-N -1 3 377.824 3.707 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000470151750 930412050 /nfs/dbraw/zinc/41/20/50/930412050.db2.gz JZRMRPDITBUDJF-ZDUSSCGKSA-N -1 3 377.725 3.683 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CSc3ccncc3)nc(=O)c2c1C ZINC000759605712 930423050 /nfs/dbraw/zinc/42/30/50/930423050.db2.gz OHJCTMUUWYELSC-JTQLQIEISA-N -1 3 375.475 3.805 20 0 GHADHM COc1cc(C)c(N)c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000759744856 930473721 /nfs/dbraw/zinc/47/37/21/930473721.db2.gz FBWZSXGMUFBQLR-SNVBAGLBSA-N -1 3 387.461 3.831 20 0 GHADHM C[C@@H]1CCC[C@H](c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)C1 ZINC000547056975 930655503 /nfs/dbraw/zinc/65/55/03/930655503.db2.gz PPBWKBYDDXBFGR-NEPJUHHUSA-N -1 3 379.457 3.610 20 0 GHADHM Cc1nc(C)c(CC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000470737751 930871424 /nfs/dbraw/zinc/87/14/24/930871424.db2.gz QQUNEQBYCJXQEV-SNVBAGLBSA-N -1 3 398.290 3.574 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000547385523 930973651 /nfs/dbraw/zinc/97/36/51/930973651.db2.gz FBLLAYIYLITHME-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000547385523 930973655 /nfs/dbraw/zinc/97/36/55/930973655.db2.gz FBLLAYIYLITHME-UHFFFAOYSA-N -1 3 386.253 3.546 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782186795 931112089 /nfs/dbraw/zinc/11/20/89/931112089.db2.gz QUFYZKDQBKWGSB-UHFFFAOYSA-N -1 3 398.463 3.588 20 0 GHADHM Cc1cc(=O)[n-]c(CSCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 ZINC000782243638 931136849 /nfs/dbraw/zinc/13/68/49/931136849.db2.gz AULWHDDKXPXIBB-UHFFFAOYSA-N -1 3 382.276 3.812 20 0 GHADHM COc1ccc2cc([C@H](C)OC(=O)CNC(=O)c3ccc([O-])cc3)ccc2c1 ZINC000783418681 931542529 /nfs/dbraw/zinc/54/25/29/931542529.db2.gz MBYMAIMIQSRDPC-AWEZNQCLSA-N -1 3 379.412 3.588 20 0 GHADHM Cc1ccc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(Cl)c1C ZINC000783646264 931606385 /nfs/dbraw/zinc/60/63/85/931606385.db2.gz PGBSRLJSPAHABE-OAQYLSRUSA-N -1 3 399.878 3.545 20 0 GHADHM Cc1ccc(CSCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000557791122 931690333 /nfs/dbraw/zinc/69/03/33/931690333.db2.gz MBPCESUMRBCIFO-UHFFFAOYSA-N -1 3 390.452 3.621 20 0 GHADHM Cc1cccc2c(CCC(=O)OCc3noc(-c4ccccc4[O-])n3)c[nH]c21 ZINC000783852328 931691498 /nfs/dbraw/zinc/69/14/98/931691498.db2.gz LYMRTDBIHHMAGV-UHFFFAOYSA-N -1 3 377.400 3.908 20 0 GHADHM O=C(NCCC1(F)CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000557971306 931780978 /nfs/dbraw/zinc/78/09/78/931780978.db2.gz QYSJTZAOCRYSFA-UHFFFAOYSA-N -1 3 394.443 3.639 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000784614784 931957778 /nfs/dbraw/zinc/95/77/78/931957778.db2.gz FVSRZCLDEFCNPI-MRXNPFEDSA-N -1 3 380.400 3.693 20 0 GHADHM O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(Br)cc1[O-] ZINC000558415732 931990456 /nfs/dbraw/zinc/99/04/56/931990456.db2.gz VVDIVWQETXWYPW-UHFFFAOYSA-N -1 3 392.118 3.698 20 0 GHADHM COc1ccc(CC(=O)[N-]OCc2ccc(OC(C)C)c(Cl)c2)cc1OC ZINC000777585427 932041800 /nfs/dbraw/zinc/04/18/00/932041800.db2.gz JKJQHCVEPBRRFH-UHFFFAOYSA-N -1 3 393.867 3.935 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558691254 932169355 /nfs/dbraw/zinc/16/93/55/932169355.db2.gz DFVRAOTXOWJZHL-ACHSLPGTSA-N -1 3 375.428 3.513 20 0 GHADHM Nc1ccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c([O-])c1 ZINC000797426841 932280331 /nfs/dbraw/zinc/28/03/31/932280331.db2.gz OYRFOUIRWZEWOL-UHFFFAOYSA-N -1 3 377.231 3.778 20 0 GHADHM CC1(C)Cc2ccc(Cl)c(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)c2O1 ZINC000797685027 932367706 /nfs/dbraw/zinc/36/77/06/932367706.db2.gz DAGVMNKDGMLJSN-UHFFFAOYSA-N -1 3 389.765 3.512 20 0 GHADHM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c1C ZINC000797817514 932415157 /nfs/dbraw/zinc/41/51/57/932415157.db2.gz YRRHEVGRGBIIJP-UHFFFAOYSA-N -1 3 398.868 3.945 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000559233576 932538087 /nfs/dbraw/zinc/53/80/87/932538087.db2.gz FIZAEDCKJJWRHG-UHFFFAOYSA-N -1 3 378.350 3.789 20 0 GHADHM CCc1nc(C)c(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)o1 ZINC000559395639 932650154 /nfs/dbraw/zinc/65/01/54/932650154.db2.gz AJTJCJYEBSPEHN-UHFFFAOYSA-N -1 3 393.216 3.511 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799175236 932898493 /nfs/dbraw/zinc/89/84/93/932898493.db2.gz ZUOTXTLNKAOBOD-CQSZACIVSA-N -1 3 399.457 3.529 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)c1Cl ZINC000559868300 932915654 /nfs/dbraw/zinc/91/56/54/932915654.db2.gz CZTQEAWHFSMPAL-UHFFFAOYSA-N -1 3 384.288 3.667 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)cc1[O-] ZINC000928353501 932937464 /nfs/dbraw/zinc/93/74/64/932937464.db2.gz FJPNIPMHPVZRAY-MRXNPFEDSA-N -1 3 389.249 3.730 20 0 GHADHM CCc1ocnc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000559988101 933001347 /nfs/dbraw/zinc/00/13/47/933001347.db2.gz WOXKKWSGSJYWAJ-UHFFFAOYSA-N -1 3 387.197 3.502 20 0 GHADHM CC(C)N1C[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CC1=O ZINC000560049709 933035469 /nfs/dbraw/zinc/03/54/69/933035469.db2.gz XNJABCRYHHSEEI-INIZCTEOSA-N -1 3 393.443 3.746 20 0 GHADHM Cc1ncc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)c1Br ZINC000928742601 933092261 /nfs/dbraw/zinc/09/22/61/933092261.db2.gz QLTALCTWKWRMEO-UHFFFAOYSA-N -1 3 379.258 3.641 20 0 GHADHM COc1cccc(-c2noc([N-][C@H](Cn3ccccc3=O)c3ccccc3)n2)c1 ZINC000799993008 933206094 /nfs/dbraw/zinc/20/60/94/933206094.db2.gz RORFNXGPFSPANV-LJQANCHMSA-N -1 3 388.427 3.760 20 0 GHADHM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000560640499 933412788 /nfs/dbraw/zinc/41/27/88/933412788.db2.gz RJUHXKKHEIIBOG-INIZCTEOSA-N -1 3 383.444 3.643 20 0 GHADHM CCCN(Cc1ccc(-n2ccnc2)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC001116341097 933493646 /nfs/dbraw/zinc/49/36/46/933493646.db2.gz ZMVUGHQLQMCBLC-UHFFFAOYSA-N -1 3 379.489 3.995 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)cc1F ZINC000561098935 933862700 /nfs/dbraw/zinc/86/27/00/933862700.db2.gz JPQSTLSQACDWOP-RDJZCZTQSA-N -1 3 387.835 3.735 20 0 GHADHM C[C@H](c1ccc(Br)cc1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000561131983 933897628 /nfs/dbraw/zinc/89/76/28/933897628.db2.gz KCYCDOLPSWTZKL-STFLBKPXSA-N -1 3 381.295 3.832 20 0 GHADHM CCOc1ccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)cc1 ZINC000561142626 933912837 /nfs/dbraw/zinc/91/28/37/933912837.db2.gz ZIMGVIRFPOOPIM-OAQYLSRUSA-N -1 3 389.455 3.978 20 0 GHADHM CCC(CC)c1nnc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC000930420670 934037555 /nfs/dbraw/zinc/03/75/55/934037555.db2.gz UJFSCTUQBLLZTR-UHFFFAOYSA-N -1 3 378.404 3.814 20 0 GHADHM CCCCCc1nnc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC000930420708 934037757 /nfs/dbraw/zinc/03/77/57/934037757.db2.gz VQSGHBITILORMU-UHFFFAOYSA-N -1 3 378.404 3.643 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2occc21)c1c(F)cccc1OC(F)(F)F ZINC000561477487 934200944 /nfs/dbraw/zinc/20/09/44/934200944.db2.gz MYAMPWCQSKFQKZ-LLVKDONJSA-N -1 3 379.331 3.673 20 0 GHADHM CCC1CN(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)C1 ZINC000931622780 934648393 /nfs/dbraw/zinc/64/83/93/934648393.db2.gz OIDUHHGYKNEAJV-UHFFFAOYSA-N -1 3 387.505 3.978 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000562389249 934847152 /nfs/dbraw/zinc/84/71/52/934847152.db2.gz DDQBBAGLAINSON-XLIONFOSSA-N -1 3 386.536 3.834 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OCC(F)(F)F)cn1 ZINC000562440721 934864927 /nfs/dbraw/zinc/86/49/27/934864927.db2.gz NXCUNZBEMKWBBY-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM Cc1nc(-c2nnc(N3C[C@H](c4ccccc4)C[C@@H]3C)n2CC2CC2)cc(=O)[n-]1 ZINC001123518358 935215440 /nfs/dbraw/zinc/21/54/40/935215440.db2.gz GVUMIZIPGVCTNF-KBXCAEBGSA-N -1 3 390.491 3.542 20 0 GHADHM C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001124228029 935360198 /nfs/dbraw/zinc/36/01/98/935360198.db2.gz DFLSTQMEMZYBEL-ZFWWWQNUSA-N -1 3 383.485 3.662 20 0 GHADHM Nc1cn(Cc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)nc1C(F)(F)F ZINC001137582138 935601121 /nfs/dbraw/zinc/60/11/21/935601121.db2.gz LPDBENONLSAXPM-UHFFFAOYSA-N -1 3 394.328 3.629 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1)C1CC1 ZINC000830014653 935890486 /nfs/dbraw/zinc/89/04/86/935890486.db2.gz XZAWHDCRHRJQRG-UHFFFAOYSA-N -1 3 386.473 3.544 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000908881068 939343892 /nfs/dbraw/zinc/34/38/92/939343892.db2.gz AKINZMRNHPAHHX-CDMIOBSGSA-N -1 3 387.524 3.545 20 0 GHADHM CC[C@](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908885532 939345580 /nfs/dbraw/zinc/34/55/80/939345580.db2.gz ZYBKXGXOJYNORV-XTQVGHSUSA-N -1 3 395.503 3.511 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001573553621 946891666 /nfs/dbraw/zinc/89/16/66/946891666.db2.gz YZCSXOASMLJSIT-SFHVURJKSA-N -1 3 381.411 3.587 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001573553621 946891680 /nfs/dbraw/zinc/89/16/80/946891680.db2.gz YZCSXOASMLJSIT-SFHVURJKSA-N -1 3 381.411 3.587 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCCOc1ccc(C(F)(F)F)cc1 ZINC001573555116 946904916 /nfs/dbraw/zinc/90/49/16/946904916.db2.gz BNAZHYQCGBTHJT-UHFFFAOYSA-N -1 3 392.337 3.546 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCCOc1ccc(C(F)(F)F)cc1 ZINC001573555116 946904924 /nfs/dbraw/zinc/90/49/24/946904924.db2.gz BNAZHYQCGBTHJT-UHFFFAOYSA-N -1 3 392.337 3.546 20 0 GHADHM C[C@H]([C@H](C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001573718813 948521113 /nfs/dbraw/zinc/52/11/13/948521113.db2.gz UHOQUNZBMHDLJZ-UONOGXRCSA-N -1 3 375.542 3.534 20 0 GHADHM C[C@H]([C@H](C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001573718813 948521117 /nfs/dbraw/zinc/52/11/17/948521117.db2.gz UHOQUNZBMHDLJZ-UONOGXRCSA-N -1 3 375.542 3.534 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001574421778 948822833 /nfs/dbraw/zinc/82/28/33/948822833.db2.gz OYKLDVTZXGNWKK-UHFFFAOYSA-N -1 3 396.495 3.954 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001574421778 948822849 /nfs/dbraw/zinc/82/28/49/948822849.db2.gz OYKLDVTZXGNWKK-UHFFFAOYSA-N -1 3 396.495 3.954 20 0 GHADHM CC(C)c1cnc(SCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1C1CC1 ZINC001574424346 948848872 /nfs/dbraw/zinc/84/88/72/948848872.db2.gz LLZJRNUKYOYWBZ-UHFFFAOYSA-N -1 3 397.508 3.642 20 0 GHADHM CC(C)c1cnc(SCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1C1CC1 ZINC001574424346 948848886 /nfs/dbraw/zinc/84/88/86/948848886.db2.gz LLZJRNUKYOYWBZ-UHFFFAOYSA-N -1 3 397.508 3.642 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2cccc(OC(F)(F)F)c2-c2nnn[n-]2)s1 ZINC001574427829 948913777 /nfs/dbraw/zinc/91/37/77/948913777.db2.gz REHCXFHINITURZ-UHFFFAOYSA-N -1 3 398.370 3.598 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)CC1 ZINC001574090510 948987743 /nfs/dbraw/zinc/98/77/43/948987743.db2.gz KUBSRWJPASUDPP-YOEHRIQHSA-N -1 3 394.479 3.856 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)CC1 ZINC001574090510 948987756 /nfs/dbraw/zinc/98/77/56/948987756.db2.gz KUBSRWJPASUDPP-YOEHRIQHSA-N -1 3 394.479 3.856 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)CC1 ZINC001574090508 948987846 /nfs/dbraw/zinc/98/78/46/948987846.db2.gz KUBSRWJPASUDPP-RHSMWYFYSA-N -1 3 394.479 3.856 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)CC1 ZINC001574090508 948987861 /nfs/dbraw/zinc/98/78/61/948987861.db2.gz KUBSRWJPASUDPP-RHSMWYFYSA-N -1 3 394.479 3.856 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1cccc2c1ccn2C ZINC001575503759 949046673 /nfs/dbraw/zinc/04/66/73/949046673.db2.gz LLTCMAPCYNXJRT-CYBMUJFWSA-N -1 3 375.436 3.583 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1cccc2c1ccn2C ZINC001575503759 949046691 /nfs/dbraw/zinc/04/66/91/949046691.db2.gz LLTCMAPCYNXJRT-CYBMUJFWSA-N -1 3 375.436 3.583 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001575503501 949048290 /nfs/dbraw/zinc/04/82/90/949048290.db2.gz QGGZNPVMJITBGZ-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001575503501 949048301 /nfs/dbraw/zinc/04/83/01/949048301.db2.gz QGGZNPVMJITBGZ-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001574092589 949071022 /nfs/dbraw/zinc/07/10/22/949071022.db2.gz SABADQUZGRFTGG-RDTXWAMCSA-N -1 3 385.487 3.759 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001574092589 949071043 /nfs/dbraw/zinc/07/10/43/949071043.db2.gz SABADQUZGRFTGG-RDTXWAMCSA-N -1 3 385.487 3.759 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001575504907 949093979 /nfs/dbraw/zinc/09/39/79/949093979.db2.gz YRRONDWCNLKGFV-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001575504907 949093989 /nfs/dbraw/zinc/09/39/89/949093989.db2.gz YRRONDWCNLKGFV-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM CC(C)[C@@H]1N(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC12CCCC2 ZINC001574098526 949160881 /nfs/dbraw/zinc/16/08/81/949160881.db2.gz CBYGVPWPTCVUJS-HNNXBMFYSA-N -1 3 376.411 3.577 20 0 GHADHM CC(C)[C@@H]1N(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC12CCCC2 ZINC001574098526 949160891 /nfs/dbraw/zinc/16/08/91/949160891.db2.gz CBYGVPWPTCVUJS-HNNXBMFYSA-N -1 3 376.411 3.577 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788728 949207181 /nfs/dbraw/zinc/20/71/81/949207181.db2.gz VAFQTGRBEZOJHH-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM CC(C)(C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788728 949207200 /nfs/dbraw/zinc/20/72/00/949207200.db2.gz VAFQTGRBEZOJHH-UHFFFAOYSA-N -1 3 393.344 3.941 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC001576151580 949229100 /nfs/dbraw/zinc/22/91/00/949229100.db2.gz HGLODNYFAUQKBE-ZYHUDNBSSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC001576151580 949229127 /nfs/dbraw/zinc/22/91/27/949229127.db2.gz HGLODNYFAUQKBE-ZYHUDNBSSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576164828 949561466 /nfs/dbraw/zinc/56/14/66/949561466.db2.gz HRJTWMDKBSQQDK-BXUZGUMPSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC001576164828 949561487 /nfs/dbraw/zinc/56/14/87/949561487.db2.gz HRJTWMDKBSQQDK-BXUZGUMPSA-N -1 3 379.917 3.649 20 0 GHADHM C[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC001576168496 949641861 /nfs/dbraw/zinc/64/18/61/949641861.db2.gz UXMIWGQFKYAFTD-CYBMUJFWSA-N -1 3 383.402 3.889 20 0 GHADHM C[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC001576168496 949641876 /nfs/dbraw/zinc/64/18/76/949641876.db2.gz UXMIWGQFKYAFTD-CYBMUJFWSA-N -1 3 383.402 3.889 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001574519098 950668259 /nfs/dbraw/zinc/66/82/59/950668259.db2.gz AYHOTUYOLCUXEH-SECBINFHSA-N -1 3 381.278 3.575 20 0 GHADHM C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001574519098 950668271 /nfs/dbraw/zinc/66/82/71/950668271.db2.gz AYHOTUYOLCUXEH-SECBINFHSA-N -1 3 381.278 3.575 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC001573876515 950675398 /nfs/dbraw/zinc/67/53/98/950675398.db2.gz OQCYDBWOHCZPSK-UHFFFAOYSA-N -1 3 383.427 3.754 20 0 GHADHM CC(C)(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC001573876515 950675410 /nfs/dbraw/zinc/67/54/10/950675410.db2.gz OQCYDBWOHCZPSK-UHFFFAOYSA-N -1 3 383.427 3.754 20 0 GHADHM C[C@@H]1CCc2c(C(=O)NC(C)(C)c3cccc(-c4nnn[n-]4)c3)csc2C1 ZINC001576216334 950727388 /nfs/dbraw/zinc/72/73/88/950727388.db2.gz HVEFUMRQPUAYLT-GFCCVEGCSA-N -1 3 381.505 3.718 20 0 GHADHM C[C@@H]1CCc2c(C(=O)NC(C)(C)c3cccc(-c4nn[n-]n4)c3)csc2C1 ZINC001576216334 950727403 /nfs/dbraw/zinc/72/74/03/950727403.db2.gz HVEFUMRQPUAYLT-GFCCVEGCSA-N -1 3 381.505 3.718 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2CCOc1cccc(-c2nnn[n-]2)c1 ZINC001573881954 950760609 /nfs/dbraw/zinc/76/06/09/950760609.db2.gz LGKZZOMBZVDVPU-UHFFFAOYSA-N -1 3 377.492 3.996 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC001573881954 950760624 /nfs/dbraw/zinc/76/06/24/950760624.db2.gz LGKZZOMBZVDVPU-UHFFFAOYSA-N -1 3 377.492 3.996 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)s1 ZINC001573882016 950763590 /nfs/dbraw/zinc/76/35/90/950763590.db2.gz OFAFUDLTADPQBC-UHFFFAOYSA-N -1 3 380.477 3.637 20 0 GHADHM CC(C)(C)c1ccc(CNC(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)s1 ZINC001573882016 950763604 /nfs/dbraw/zinc/76/36/04/950763604.db2.gz OFAFUDLTADPQBC-UHFFFAOYSA-N -1 3 380.477 3.637 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](C4CCC4)CC3)c(-c3nnn[n-]3)cc2C1 ZINC001576218357 950785406 /nfs/dbraw/zinc/78/54/06/950785406.db2.gz RDEVXIAPOPGSJL-FVQBIDKESA-N -1 3 394.523 3.932 20 0 GHADHM C[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](C4CCC4)CC3)c(-c3nn[n-]n3)cc2C1 ZINC001576218357 950785423 /nfs/dbraw/zinc/78/54/23/950785423.db2.gz RDEVXIAPOPGSJL-FVQBIDKESA-N -1 3 394.523 3.932 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3Cc4ccccc43)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576220873 950834297 /nfs/dbraw/zinc/83/42/97/950834297.db2.gz XMECDQCXIQJAQG-UHIISALHSA-N -1 3 379.489 3.892 20 0 GHADHM C[C@@H]1CCc2sc(NC(=O)[C@@H]3Cc4ccccc43)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576220873 950834318 /nfs/dbraw/zinc/83/43/18/950834318.db2.gz XMECDQCXIQJAQG-UHIISALHSA-N -1 3 379.489 3.892 20 0 GHADHM CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001574195394 950984588 /nfs/dbraw/zinc/98/45/88/950984588.db2.gz MZOZHFDKQDKGJF-HXUWFJFHSA-N -1 3 398.555 3.756 20 0 GHADHM C[C@@H](CS[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC001575184782 952424282 /nfs/dbraw/zinc/42/42/82/952424282.db2.gz CJZJRQHRFYTZBP-KXBFYZLASA-N -1 3 393.516 3.899 20 0 GHADHM C[C@@H](CS[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccccc1 ZINC001575184782 952424285 /nfs/dbraw/zinc/42/42/85/952424285.db2.gz CJZJRQHRFYTZBP-KXBFYZLASA-N -1 3 393.516 3.899 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCCc1ccccc1 ZINC001575190905 952465444 /nfs/dbraw/zinc/46/54/44/952465444.db2.gz UVJVCIIAJDFEPD-KRWDZBQOSA-N -1 3 377.492 3.575 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCCc1ccccc1 ZINC001575190905 952465447 /nfs/dbraw/zinc/46/54/47/952465447.db2.gz UVJVCIIAJDFEPD-KRWDZBQOSA-N -1 3 377.492 3.575 20 0 GHADHM CC(C)c1ccc(C[C@H](C)NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)cc1 ZINC001575191075 952466150 /nfs/dbraw/zinc/46/61/50/952466150.db2.gz WBACEVGETUJNTM-AWEZNQCLSA-N -1 3 388.475 3.832 20 0 GHADHM C[C@H]1CCc2c(sc3nc(CNC4(CC(=O)[O-])CCCCC4)nc(N)c32)C1 ZINC001589363505 954170000 /nfs/dbraw/zinc/17/00/00/954170000.db2.gz JLENZOOKTNOTJY-LBPRGKRZSA-N -1 3 388.537 3.666 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001549035081 962922334 /nfs/dbraw/zinc/92/23/34/962922334.db2.gz BXVJRCWAVQCPGG-WOJBJXKFSA-N -1 3 380.488 3.723 20 0 GHADHM CSc1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCCCCC2)N(C)C)cc1 ZINC001604964888 972553282 /nfs/dbraw/zinc/55/32/82/972553282.db2.gz LDCJCZWUMCOHNQ-KRWDZBQOSA-N -1 3 378.538 3.553 20 0 GHADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001606529341 974045818 /nfs/dbraw/zinc/04/58/18/974045818.db2.gz WJCMIAMNKYYPGF-GOSISDBHSA-N -1 3 382.460 3.579 20 0 GHADHM COc1cc(F)c(F)cc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001625805073 1014190073 /nfs/dbraw/zinc/19/00/73/1014190073.db2.gz GBKXGCMHBTXBIB-UHFFFAOYSA-N -1 3 386.354 3.911 20 0 GHADHM COC(=O)c1c(CN(C)C[C@@H](C)C(=O)[O-])nc2ccccc2c1-c1ccccc1 ZINC000565719403 974587724 /nfs/dbraw/zinc/58/77/24/974587724.db2.gz JOIFFNJIXONOSX-OAHLLOKOSA-N -1 3 392.455 3.841 20 0 GHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000647365771 975358921 /nfs/dbraw/zinc/35/89/21/975358921.db2.gz IFRLUSWSXUYRGM-BPNCWPANSA-N -1 3 379.819 3.747 20 0 GHADHM C[C@@](CCF)(NCc1cc(Br)ccc1Br)C(=O)[O-] ZINC001592508090 978332745 /nfs/dbraw/zinc/33/27/45/978332745.db2.gz YYZYQTIEUMHBLA-LBPRGKRZSA-N -1 3 383.055 3.504 20 0 GHADHM O=C([O-])c1ccsc1N1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000833341290 979165056 /nfs/dbraw/zinc/16/50/56/979165056.db2.gz MOHDCPAAQOBIJM-DLBZAZTESA-N -1 3 388.464 3.822 20 0 GHADHM O=C([O-])c1ccccc1OCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000836699537 979247667 /nfs/dbraw/zinc/24/76/67/979247667.db2.gz YPZUFDNKRSNWJG-OAHLLOKOSA-N -1 3 392.249 3.640 20 0 GHADHM CC[C@@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC001595153361 979652943 /nfs/dbraw/zinc/65/29/43/979652943.db2.gz WWDYFDBUCSTBHP-IERDGZPVSA-N -1 3 395.503 3.833 20 0 GHADHM CC[C@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1ccccn1 ZINC001625969227 1014597335 /nfs/dbraw/zinc/59/73/35/1014597335.db2.gz ZYKCIAYGHXEATN-ZDUSSCGKSA-N -1 3 391.349 3.703 20 0 GHADHM CC[C@@H](c1ccccc1)N1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001595364616 980795981 /nfs/dbraw/zinc/79/59/81/980795981.db2.gz UJQJJSKPHLAMLZ-FQEVSTJZSA-N -1 3 378.476 3.530 20 0 GHADHM CCCCCC[C@](O)(CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001595697186 982238598 /nfs/dbraw/zinc/23/85/98/982238598.db2.gz OHFNVEBMNUMIDP-UWJYYQICSA-N -1 3 396.959 3.805 20 0 GHADHM CCCCCC[C@@](O)(CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595699494 982258350 /nfs/dbraw/zinc/25/83/50/982258350.db2.gz YQGDOEFPRKEINL-MBNYWOFBSA-N -1 3 393.368 3.835 20 0 GHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2c([O-])cccc2OC)cn1 ZINC001626050808 1014826389 /nfs/dbraw/zinc/82/63/89/1014826389.db2.gz VRUVUSGPLCMRFU-UHFFFAOYSA-N -1 3 394.427 3.917 20 0 GHADHM CCCCNC(=O)[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001595755701 982447982 /nfs/dbraw/zinc/44/79/82/982447982.db2.gz BMPRRNGBRSDKGY-MLGOLLRUSA-N -1 3 387.307 3.747 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccco1 ZINC001594993751 982866321 /nfs/dbraw/zinc/86/63/21/982866321.db2.gz BAZPPFUEODDYDB-GXFFZTMASA-N -1 3 381.379 3.507 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccco1 ZINC001594993927 982868188 /nfs/dbraw/zinc/86/81/88/982868188.db2.gz DKHSYYWLKXFJAL-IAQYHMDHSA-N -1 3 377.416 3.676 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001595878452 982872088 /nfs/dbraw/zinc/87/20/88/982872088.db2.gz CRASXBBVYDHXOG-UHFFFAOYSA-N -1 3 375.513 3.779 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000467999514 1015123372 /nfs/dbraw/zinc/12/33/72/1015123372.db2.gz CCWCRAQVDWGWDH-UHFFFAOYSA-N -1 3 394.175 3.871 20 0 GHADHM Cc1cc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccc1Br ZINC000544905492 1015187651 /nfs/dbraw/zinc/18/76/51/1015187651.db2.gz ATIRWFOPBWHJJT-UHFFFAOYSA-N -1 3 375.226 3.511 20 0 GHADHM C[C@H]1Cc2cc(CN[C@@H](C(=O)[O-])c3ccc(Br)cc3)ccc2O1 ZINC001594616461 986636413 /nfs/dbraw/zinc/63/64/13/986636413.db2.gz VXRKBXZEHZZDPI-APPDUMDISA-N -1 3 376.250 3.688 20 0 GHADHM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC001589508597 987129829 /nfs/dbraw/zinc/12/98/29/987129829.db2.gz KRODXLOFKIAXSK-UGSOOPFHSA-N -1 3 389.883 3.953 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC001589611941 987470320 /nfs/dbraw/zinc/47/03/20/987470320.db2.gz JLRSPZHWNZELOD-MLGOLLRUSA-N -1 3 399.318 3.922 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)C1 ZINC001589616373 987479014 /nfs/dbraw/zinc/47/90/14/987479014.db2.gz ZFZXJEFNEGXKMF-RBUKOAKNSA-N -1 3 384.520 3.911 20 0 GHADHM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC001597453499 987855207 /nfs/dbraw/zinc/85/52/07/987855207.db2.gz QDBCQJHTJKUKIJ-UHFFFAOYSA-N -1 3 375.494 3.604 20 0 GHADHM CC(C)(C)OC(=O)[C@]1(C)CCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001589855561 988400389 /nfs/dbraw/zinc/40/03/89/988400389.db2.gz VPMAFMMBVVGPQX-KBXCAEBGSA-N -1 3 398.297 3.629 20 0 GHADHM CSc1ccc(NC(=O)[C@@H](C)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001599815485 988415532 /nfs/dbraw/zinc/41/55/32/988415532.db2.gz BUEAHRGBVOFORU-NIKGAXFTSA-N -1 3 384.501 3.536 20 0 GHADHM CSc1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1C(=O)[O-] ZINC001599819389 988485438 /nfs/dbraw/zinc/48/54/38/988485438.db2.gz WEXAPKIPCXBHQI-AWEZNQCLSA-N -1 3 387.505 3.749 20 0 GHADHM CCc1oc(CNC(C)(C)[C@@H](O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC001597799069 989378050 /nfs/dbraw/zinc/37/80/50/989378050.db2.gz OFRZUPJLYJETOK-INIZCTEOSA-N -1 3 396.281 3.905 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001590224554 989598131 /nfs/dbraw/zinc/59/81/31/989598131.db2.gz XVHLAQPUJZKGCK-UHFFFAOYSA-N -1 3 399.491 3.905 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000468320381 1015584068 /nfs/dbraw/zinc/58/40/68/1015584068.db2.gz PCGGBIYDELENIT-LJQANCHMSA-N -1 3 386.423 3.610 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001598202221 990821827 /nfs/dbraw/zinc/82/18/27/990821827.db2.gz BBABDTVKSGDMOA-INIZCTEOSA-N -1 3 379.819 3.602 20 0 GHADHM CN(C)C[C@@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001598203412 990830030 /nfs/dbraw/zinc/83/00/30/990830030.db2.gz VHJOKUXYSBLLMI-OAHLLOKOSA-N -1 3 397.809 3.741 20 0 GHADHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590981275 991139705 /nfs/dbraw/zinc/13/97/05/991139705.db2.gz SLKBDCUPHZUHNQ-LJQANCHMSA-N -1 3 387.455 3.802 20 0 GHADHM COc1nsc(CN2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)c1C(=O)[O-] ZINC001599740238 991837573 /nfs/dbraw/zinc/83/75/73/991837573.db2.gz KYKOMLYNEPODRR-AWEZNQCLSA-N -1 3 398.488 3.620 20 0 GHADHM COc1nsc(CN2CCC(Cc3ccc(Cl)cc3)CC2)c1C(=O)[O-] ZINC001599740524 991846623 /nfs/dbraw/zinc/84/66/23/991846623.db2.gz WSLAKELHIGKYHM-UHFFFAOYSA-N -1 3 380.897 3.958 20 0 GHADHM CN(CCCn1ccnc1)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001598484689 992189203 /nfs/dbraw/zinc/18/92/03/992189203.db2.gz CMXOXYCKYPCXJK-UHFFFAOYSA-N -1 3 379.460 3.682 20 0 GHADHM CN(CCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598492469 992318414 /nfs/dbraw/zinc/31/84/14/992318414.db2.gz MCUHJLZVRKELES-ZDUSSCGKSA-N -1 3 377.268 3.576 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000468516744 1015770200 /nfs/dbraw/zinc/77/02/00/1015770200.db2.gz JGRBLARYAWFSMV-HXUWFJFHSA-N -1 3 385.414 3.632 20 0 GHADHM COc1cccc([C@H](O)C2CCN([C@@H](C(=O)[O-])c3ccccc3Cl)CC2)c1 ZINC001599660057 994642542 /nfs/dbraw/zinc/64/25/42/994642542.db2.gz PTVCEQZXUXACHX-WOJBJXKFSA-N -1 3 389.879 3.920 20 0 GHADHM C[C@@H](Oc1ccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1)C(=O)[O-] ZINC001593615890 995840800 /nfs/dbraw/zinc/84/08/00/995840800.db2.gz SJGXTLXUJPWQJS-AUUYWEPGSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@@H](Oc1ccccc1CN1CC[C@H](Oc2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001593644200 995958636 /nfs/dbraw/zinc/95/86/36/995958636.db2.gz FJPQDGUXDUEVNT-KDOFPFPSSA-N -1 3 375.852 3.845 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001593775752 996472230 /nfs/dbraw/zinc/47/22/30/996472230.db2.gz AGHWFEKFADGXJD-LPHOPBHVSA-N -1 3 399.318 3.844 20 0 GHADHM CC1(C)CCC[C@](O)(CNCc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001593898161 996760266 /nfs/dbraw/zinc/76/02/66/996760266.db2.gz AZHSHNJJBSXDGI-GOSISDBHSA-N -1 3 384.314 3.958 20 0 GHADHM CN1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000468834753 1016088244 /nfs/dbraw/zinc/08/82/44/1016088244.db2.gz DCBJXQPZJIFNRB-NQIIRXRSSA-N -1 3 392.421 3.694 20 0 GHADHM COc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599408222 997370269 /nfs/dbraw/zinc/37/02/69/997370269.db2.gz PDSGPRPNBZXAOW-CABCVRRESA-N -1 3 389.448 3.565 20 0 GHADHM COc1ccc([C@H](NCCOc2cc(Cl)ccc2Cl)C(=O)[O-])cc1O ZINC001599527302 997583591 /nfs/dbraw/zinc/58/35/91/997583591.db2.gz LTRMTZRPLRLFJZ-INIZCTEOSA-N -1 3 386.231 3.502 20 0 GHADHM C[C@@]1(c2ccccc2)CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC001594079446 997967091 /nfs/dbraw/zinc/96/70/91/997967091.db2.gz FFARCMJEZGVHGI-XMSQKQJNSA-N -1 3 398.528 3.995 20 0 GHADHM COc1ccccc1OC[C@H](C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468898105 1016185193 /nfs/dbraw/zinc/18/51/93/1016185193.db2.gz IYIMPFFSIRDXRS-OAHLLOKOSA-N -1 3 375.440 3.694 20 0 GHADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cccc(OCC(F)(F)F)c1Br ZINC001594167826 998647982 /nfs/dbraw/zinc/64/79/82/998647982.db2.gz RSEPHARUJQRDBT-GXSJLCMTSA-N -1 3 396.203 3.685 20 0 GHADHM C[C@@H]1[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001594190664 998741591 /nfs/dbraw/zinc/74/15/91/998741591.db2.gz LCVNEQXQILCUOK-KUHUBIRLSA-N -1 3 392.459 3.651 20 0 GHADHM C[C@H]1[C@@H](NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCN1Cc1ccccc1 ZINC001594191580 998749597 /nfs/dbraw/zinc/74/95/97/998749597.db2.gz ASSJHIKWWJOWEW-LIRRHRJNSA-N -1 3 392.459 3.651 20 0 GHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000468987762 1016311052 /nfs/dbraw/zinc/31/10/52/1016311052.db2.gz PNZVEHPQCZAATO-IBGZPJMESA-N -1 3 384.451 3.508 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c2cccs2)CC1 ZINC001594422850 999576335 /nfs/dbraw/zinc/57/63/35/999576335.db2.gz PDZDFYAEQDTZJZ-KRWDZBQOSA-N -1 3 390.480 3.788 20 0 GHADHM COc1ccc(C[C@H](C)CNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000469087446 1016449380 /nfs/dbraw/zinc/44/93/80/1016449380.db2.gz XRQLQSOCPNKAJR-HNNXBMFYSA-N -1 3 389.467 3.866 20 0 GHADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1nc(-c2ccccc2)no1 ZINC000469088530 1016454356 /nfs/dbraw/zinc/45/43/56/1016454356.db2.gz WKGUAPDROBOVMY-CQSZACIVSA-N -1 3 383.423 3.824 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)Oc1ccccc1C ZINC000557786159 1017044964 /nfs/dbraw/zinc/04/49/64/1017044964.db2.gz VUSAAKUYJVEYJW-CYBMUJFWSA-N -1 3 388.411 3.545 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1ccc(Br)cc1C(F)(F)F ZINC000557849899 1017058937 /nfs/dbraw/zinc/05/89/37/1017058937.db2.gz SCCOIUGGGYWDIT-IUCAKERBSA-N -1 3 390.196 3.637 20 0 GHADHM COc1ccc(C2=CCN(C(=O)c3c([O-])cnc4ccc(OC)cc43)CC2)cc1 ZINC001154511190 1032153317 /nfs/dbraw/zinc/15/33/17/1032153317.db2.gz ROFLFVKJEXQAHS-UHFFFAOYSA-N -1 3 390.439 3.887 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001154797097 1032288450 /nfs/dbraw/zinc/28/84/50/1032288450.db2.gz GAUDIVRMNRTOIE-UHFFFAOYSA-N -1 3 396.834 3.830 20 0 GHADHM CCOC(=O)[C@@H](Oc1cccc([O-])c1I)c1ccccc1 ZINC001227375680 1032394483 /nfs/dbraw/zinc/39/44/83/1032394483.db2.gz KXGFEOVGPVNBQH-HNNXBMFYSA-N -1 3 398.196 3.680 20 0 GHADHM CC(C)Oc1ncccc1COc1cccc([O-])c1I ZINC001227377713 1032396061 /nfs/dbraw/zinc/39/60/61/1032396061.db2.gz JVMKDFYPWYAHRQ-UHFFFAOYSA-N -1 3 385.201 3.758 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1c[nH]c2cccc(C(F)(F)F)c12 ZINC001155315164 1032499247 /nfs/dbraw/zinc/49/92/47/1032499247.db2.gz MRPKOEWTGVYZCS-UHFFFAOYSA-N -1 3 388.305 3.793 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001155528981 1032570793 /nfs/dbraw/zinc/57/07/93/1032570793.db2.gz CWKMPDXWOKQGEU-PWZKMPOXSA-N -1 3 392.499 3.806 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cn1 ZINC000559179015 1017385435 /nfs/dbraw/zinc/38/54/35/1017385435.db2.gz KYSBEINZZZFSNF-UHFFFAOYSA-N -1 3 391.674 3.697 20 0 GHADHM Cc1ccoc1CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000561566994 1017891027 /nfs/dbraw/zinc/89/10/27/1017891027.db2.gz WZOTZBGJPBFOFZ-UHFFFAOYSA-N -1 3 380.322 3.600 20 0 GHADHM O=C([O-])c1ccnc(N2CCC(NCc3ncc(-c4ccccc4)s3)CC2)c1 ZINC000562370121 1018127842 /nfs/dbraw/zinc/12/78/42/1018127842.db2.gz NJLHVZHNSLQYPJ-UHFFFAOYSA-N -1 3 394.500 3.662 20 0 GHADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3c(F)cccc3Cl)cccc21 ZINC000562541129 1018289059 /nfs/dbraw/zinc/28/90/59/1018289059.db2.gz XDUXBOXGMAFVSK-KRWDZBQOSA-N -1 3 398.887 3.806 20 0 GHADHM CCc1cc(=O)[n-]c(CN2CCC(c3nc(-c4ccncc4)cs3)CC2)n1 ZINC000932552650 1018445694 /nfs/dbraw/zinc/44/56/94/1018445694.db2.gz GENHPJAUOJINMC-UHFFFAOYSA-N -1 3 381.505 3.643 20 0 GHADHM CCOC(=O)C[C@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1ccccc1 ZINC001228075508 1032765784 /nfs/dbraw/zinc/76/57/84/1032765784.db2.gz ATOBMNATWQUQQP-HNNXBMFYSA-N -1 3 386.400 3.751 20 0 GHADHM COC(=O)[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1cccc(Cl)c1 ZINC001228080140 1032768023 /nfs/dbraw/zinc/76/80/23/1032768023.db2.gz UGLPOJFUBWUUHV-INIZCTEOSA-N -1 3 392.791 3.624 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C)C4(CCCCC4)C3)c(=O)c2c(OC)c1 ZINC000626469906 1018783713 /nfs/dbraw/zinc/78/37/13/1018783713.db2.gz QVZMTLCAXZTRTF-HNNXBMFYSA-N -1 3 398.503 3.978 20 0 GHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000626473641 1018829962 /nfs/dbraw/zinc/82/99/62/1018829962.db2.gz YBOWSXNUOJBNIL-UHFFFAOYSA-N -1 3 376.460 3.862 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC[C@@H](CC4CC4)C3)cs2)c1 ZINC000563562185 1018928527 /nfs/dbraw/zinc/92/85/27/1018928527.db2.gz LMNKFUHEPJXTET-HNNXBMFYSA-N -1 3 399.516 3.601 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000568318485 1019392827 /nfs/dbraw/zinc/39/28/27/1019392827.db2.gz OLIRJPKTNQZYPN-DOXZYTNZSA-N -1 3 398.890 3.713 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CC[C@@H](c3nc(C4CC4)no3)C2)c1C ZINC000570399885 1019596436 /nfs/dbraw/zinc/59/64/36/1019596436.db2.gz PAXOPUCYQBQDON-CQSZACIVSA-N -1 3 378.432 3.804 20 0 GHADHM O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1c(F)ccc([O-])c1F ZINC000572645263 1019790238 /nfs/dbraw/zinc/79/02/38/1019790238.db2.gz HRJNYQRMVSWDBN-HNNXBMFYSA-N -1 3 380.822 3.891 20 0 GHADHM Cc1ccccc1COc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000576068287 1019975831 /nfs/dbraw/zinc/97/58/31/1019975831.db2.gz QXQYYDDNFLLZCG-INIZCTEOSA-N -1 3 378.350 3.951 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1C ZINC000576072492 1019977331 /nfs/dbraw/zinc/97/73/31/1019977331.db2.gz KHNPOBNRTFRAJQ-VQTJNVASSA-N -1 3 375.490 3.787 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(C)[C@H]3CCC[C@@H]3C(C)(C)C)c(=O)c2c(OC)c1 ZINC000627776849 1020602094 /nfs/dbraw/zinc/60/20/94/1020602094.db2.gz HFFMSZCQRPRJFB-RDJZCZTQSA-N -1 3 386.492 3.832 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000627985531 1020640478 /nfs/dbraw/zinc/64/04/78/1020640478.db2.gz GJXQTUPOFPFINQ-UHFFFAOYSA-N -1 3 382.151 3.661 20 0 GHADHM O=C(NC[C@@H]1CCCC12CC2)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000629830673 1020772000 /nfs/dbraw/zinc/77/20/00/1020772000.db2.gz FFZLPPRLUFPYOF-NSHDSACASA-N -1 3 375.266 3.601 20 0 GHADHM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000634849942 1020959283 /nfs/dbraw/zinc/95/92/83/1020959283.db2.gz NRIYUEQQGJLVNK-NZQKXSOJSA-N -1 3 386.536 3.676 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001156284879 1032958457 /nfs/dbraw/zinc/95/84/57/1032958457.db2.gz OCTXPVPUVKPNJI-LBPRGKRZSA-N -1 3 385.880 3.936 20 0 GHADHM O=C([O-])c1ccc(-c2ccc(CN[C@H]3CCN(C(=O)C4CCCC4)C3)o2)cc1 ZINC000902344911 1021503297 /nfs/dbraw/zinc/50/32/97/1021503297.db2.gz LVUWYCSZYARVOA-SFHVURJKSA-N -1 3 382.460 3.526 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@@H]1CCCC1=O ZINC000748174495 1021671639 /nfs/dbraw/zinc/67/16/39/1021671639.db2.gz RUWFZQMCHWLJMW-PXNSSMCTSA-N -1 3 395.455 3.556 20 0 GHADHM Cc1[nH]c(CN2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(C)c1C(=O)[O-] ZINC001140501062 1021876462 /nfs/dbraw/zinc/87/64/62/1021876462.db2.gz MBOFIYULSKDBHB-OAQYLSRUSA-N -1 3 391.512 3.553 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001228621466 1033012388 /nfs/dbraw/zinc/01/23/88/1033012388.db2.gz AEKYUOSJDYKDLC-KGLIPLIRSA-N -1 3 389.448 3.974 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140550009 1021951768 /nfs/dbraw/zinc/95/17/68/1021951768.db2.gz ARELWHPNZRSXNK-ZDUSSCGKSA-N -1 3 385.302 3.596 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@H](CC(F)F)NC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000836067711 1022604893 /nfs/dbraw/zinc/60/48/93/1022604893.db2.gz XTKGQIZQULLIDD-NSHDSACASA-N -1 3 399.394 3.683 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[n-]n2)o1 ZINC000836067711 1022604897 /nfs/dbraw/zinc/60/48/97/1022604897.db2.gz XTKGQIZQULLIDD-NSHDSACASA-N -1 3 399.394 3.683 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(COc3ccccc3)n2CCC(C)C)n1 ZINC000754451042 1022712823 /nfs/dbraw/zinc/71/28/23/1022712823.db2.gz PGCDYRBBJZDWJL-UHFFFAOYSA-N -1 3 399.520 4.000 20 0 GHADHM CCCCn1c(SCc2nc(C)cc(=O)[n-]2)nc2sc(C)c(C)c2c1=O ZINC000754458924 1022718670 /nfs/dbraw/zinc/71/86/70/1022718670.db2.gz UQPHMMCNKNVEPO-UHFFFAOYSA-N -1 3 390.534 3.971 20 0 GHADHM COc1cc(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)cc(OC)c1[O-] ZINC000754475229 1022726154 /nfs/dbraw/zinc/72/61/54/1022726154.db2.gz PIYRAVQJHRWFHB-LBPRGKRZSA-N -1 3 398.242 3.970 20 0 GHADHM O=C([O-])c1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)o1 ZINC001140947158 1022957127 /nfs/dbraw/zinc/95/71/27/1022957127.db2.gz XUGZATNCGXFZKC-FQEVSTJZSA-N -1 3 394.471 3.554 20 0 GHADHM Cc1ccc([C@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])s1 ZINC000755141303 1023093588 /nfs/dbraw/zinc/09/35/88/1023093588.db2.gz HHURGDNZFAMQHX-NSHDSACASA-N -1 3 385.445 3.802 20 0 GHADHM O=C(c1ccsc1)N1CCC2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)CC1 ZINC001140993048 1023114602 /nfs/dbraw/zinc/11/46/02/1023114602.db2.gz DZUKCXIRWDELFA-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)c1cc([O-])ccc1Cl ZINC000836940412 1023480821 /nfs/dbraw/zinc/48/08/21/1023480821.db2.gz HQTQVPBATGNFKF-ZDUSSCGKSA-N -1 3 382.888 3.955 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228857734 1033139193 /nfs/dbraw/zinc/13/91/93/1033139193.db2.gz NRKYGIMVWHUGSN-KSSFIOAISA-N -1 3 379.428 3.638 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000756352601 1023602215 /nfs/dbraw/zinc/60/22/15/1023602215.db2.gz WWZCEMWTMRDLHC-QGZVFWFLSA-N -1 3 379.382 3.616 20 0 GHADHM O=C([N-]Cc1ccc(-n2ccnc2)c(F)c1)C(F)(F)c1c(F)cccc1F ZINC000756949501 1023881679 /nfs/dbraw/zinc/88/16/79/1023881679.db2.gz IMTDXGBVRJKAGJ-UHFFFAOYSA-N -1 3 381.304 3.698 20 0 GHADHM O=C([N-][C@H](Cn1cccn1)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000757020873 1023909828 /nfs/dbraw/zinc/90/98/28/1023909828.db2.gz WZYHODKYNBAUHU-MRXNPFEDSA-N -1 3 377.341 3.811 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cn(-c2ccccc2)nn1 ZINC000757063187 1023924529 /nfs/dbraw/zinc/92/45/29/1023924529.db2.gz XLKAULCCZDJBFV-NSHDSACASA-N -1 3 378.329 3.515 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccnc2ccccc21 ZINC001138175304 1024303158 /nfs/dbraw/zinc/30/31/58/1024303158.db2.gz MABZLPRLEFHGBG-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM C[C@H](c1ccccc1)N1CCN(Cc2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC001138194725 1024341323 /nfs/dbraw/zinc/34/13/23/1024341323.db2.gz ZTXRWVVBKMCIFK-GOSISDBHSA-N -1 3 377.488 3.605 20 0 GHADHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1noc2ccc(OC)cc21 ZINC001156720499 1033205142 /nfs/dbraw/zinc/20/51/42/1033205142.db2.gz QHGALHVMWKOQFD-UHFFFAOYSA-N -1 3 397.412 3.793 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1CC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837363161 1024380837 /nfs/dbraw/zinc/38/08/37/1024380837.db2.gz OKIOWZKHTGNFMO-UHFFFAOYSA-N -1 3 394.475 3.604 20 0 GHADHM C[C@H](c1ccc(COC(=O)CNC(=O)c2ccc([O-])cc2)cc1)C(F)(F)F ZINC000837494755 1024504709 /nfs/dbraw/zinc/50/47/09/1024504709.db2.gz HAWBQXFCQXYBAD-GFCCVEGCSA-N -1 3 381.350 3.531 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cc2c([nH]c1=O)CCCCC2 ZINC000837534774 1024531753 /nfs/dbraw/zinc/53/17/53/1024531753.db2.gz KDOKJCRHTNGVKS-UHFFFAOYSA-N -1 3 391.427 3.576 20 0 GHADHM CC(C)(C)OC(=O)NC(C)(C)c1cc(C(=O)Nc2cccc([O-])c2F)on1 ZINC000831393867 1024539591 /nfs/dbraw/zinc/53/95/91/1024539591.db2.gz LTTAOBLIQOLBLW-UHFFFAOYSA-N -1 3 379.388 3.531 20 0 GHADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837655757 1024612778 /nfs/dbraw/zinc/61/27/78/1024612778.db2.gz JNDMLBFHCKHFKX-JTQLQIEISA-N -1 3 382.338 3.589 20 0 GHADHM COCCC1(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCCCC1 ZINC001138602465 1025087681 /nfs/dbraw/zinc/08/76/81/1025087681.db2.gz RRJKQUFJSMKYNP-UHFFFAOYSA-N -1 3 378.419 3.523 20 0 GHADHM COC(=O)[C@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1Cl ZINC001229097737 1033277145 /nfs/dbraw/zinc/27/71/45/1033277145.db2.gz VVYMSWOTHNHBRM-CQSZACIVSA-N -1 3 387.613 3.807 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)cnc1Cl ZINC001141513813 1025350672 /nfs/dbraw/zinc/35/06/72/1025350672.db2.gz FKWAEYNCXFQGER-ZDUSSCGKSA-N -1 3 375.202 3.638 20 0 GHADHM C[C@@H](NCc1cccc([O-])c1Br)c1ccc2c(c1)CC(=O)N2C ZINC000838927529 1025449777 /nfs/dbraw/zinc/44/97/77/1025449777.db2.gz FZQHBJNRBBHJNY-LLVKDONJSA-N -1 3 375.266 3.524 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094919 1025907540 /nfs/dbraw/zinc/90/75/40/1025907540.db2.gz KZMYMWLXXVFBNH-UXHICEINSA-N -1 3 391.475 3.526 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])N1CCc2ccccc21 ZINC001141621874 1025929825 /nfs/dbraw/zinc/92/98/25/1025929825.db2.gz CZYUHFOWOGUEHX-GFCCVEGCSA-N -1 3 375.266 3.935 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1)c1ccc(Br)cc1 ZINC001162885030 1025953148 /nfs/dbraw/zinc/95/31/48/1025953148.db2.gz BLTUBRNIGDUMLB-SNVBAGLBSA-N -1 3 394.269 3.870 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1)c1ccc(Br)cc1 ZINC001162885030 1025953152 /nfs/dbraw/zinc/95/31/52/1025953152.db2.gz BLTUBRNIGDUMLB-SNVBAGLBSA-N -1 3 394.269 3.870 20 0 GHADHM COC(=O)c1cc(Cl)nc([N-][C@@H](c2ccccc2OC)C(F)(F)F)n1 ZINC001162897213 1025957316 /nfs/dbraw/zinc/95/73/16/1025957316.db2.gz NRYIVVOXIUQITM-LBPRGKRZSA-N -1 3 375.734 3.641 20 0 GHADHM CCc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c([O-])c1 ZINC001162927098 1025968901 /nfs/dbraw/zinc/96/89/01/1025968901.db2.gz WYLHTWJCSPFUNM-ILXRZTDVSA-N -1 3 376.497 3.813 20 0 GHADHM COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001163077292 1026035078 /nfs/dbraw/zinc/03/50/78/1026035078.db2.gz FARKGXKBSSQUNG-LJQANCHMSA-N -1 3 383.488 3.885 20 0 GHADHM FC(F)(N[C@H](c1ccccc1)c1cccnn1)c1cc(Cl)nc(=S)[n-]1 ZINC001163109321 1026045183 /nfs/dbraw/zinc/04/51/83/1026045183.db2.gz WVQJCUREGZGYJT-CQSZACIVSA-N -1 3 379.823 3.637 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CCC(C)(C)C ZINC001163152013 1026068049 /nfs/dbraw/zinc/06/80/49/1026068049.db2.gz RUCWLHKZRFEBRL-UHFFFAOYSA-N -1 3 383.448 3.501 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1[O-] ZINC000839773563 1026257205 /nfs/dbraw/zinc/25/72/05/1026257205.db2.gz GOROLLZOCZXSFR-CQSZACIVSA-N -1 3 380.444 3.603 20 0 GHADHM COc1ccc2cc(C=CC(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)ccc2c1 ZINC001164262816 1026468210 /nfs/dbraw/zinc/46/82/10/1026468210.db2.gz XEXTYGQFFWXRRG-UXBLZVDNSA-N -1 3 377.444 3.717 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc2c(c1)Cc1ccc(Br)cc1C2 ZINC001164382857 1026502372 /nfs/dbraw/zinc/50/23/72/1026502372.db2.gz QUVDMGILSKBBBU-HNNXBMFYSA-N -1 3 398.304 3.868 20 0 GHADHM O=C(NCC(F)(F)c1cccc(F)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001165658025 1026787422 /nfs/dbraw/zinc/78/74/22/1026787422.db2.gz MGUALDJATSQLOQ-UHFFFAOYSA-N -1 3 380.753 3.842 20 0 GHADHM CC[C@H](C)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001165770319 1026827970 /nfs/dbraw/zinc/82/79/70/1026827970.db2.gz KEDJWDUINCWSBD-AWEZNQCLSA-N -1 3 378.469 3.793 20 0 GHADHM CC[C@H](C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001165770874 1026829153 /nfs/dbraw/zinc/82/91/53/1026829153.db2.gz QXXZACDUHWFHSH-AWEZNQCLSA-N -1 3 378.469 3.793 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(OC(C)C)c(F)c1)c1ccccc1N ZINC001209997620 1027307098 /nfs/dbraw/zinc/30/70/98/1027307098.db2.gz ZZLHHMSXCHTCDO-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC001141940584 1027713322 /nfs/dbraw/zinc/71/33/22/1027713322.db2.gz FTMVPVHUTOFTOV-UHFFFAOYSA-N -1 3 378.881 3.916 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(C3CCCCC3)CCCCC2)s1 ZINC001211392007 1027938919 /nfs/dbraw/zinc/93/89/19/1027938919.db2.gz VKKUIQMOVWDRRK-UHFFFAOYSA-N -1 3 399.582 3.911 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC001211458749 1027969393 /nfs/dbraw/zinc/96/93/93/1027969393.db2.gz FLMNEOQFMHRIBM-BZQUYTCOSA-N -1 3 392.546 3.618 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)c(F)cc1Br ZINC001213183586 1028032936 /nfs/dbraw/zinc/03/29/36/1028032936.db2.gz AOXHLZVMCGGUEH-UHFFFAOYSA-N -1 3 376.291 3.754 20 0 GHADHM COc1cc(C(F)(F)F)ccc1-c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001213259096 1028074021 /nfs/dbraw/zinc/07/40/21/1028074021.db2.gz NXCYGTOGMMIDTR-UHFFFAOYSA-N -1 3 378.310 3.804 20 0 GHADHM Cc1oc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cc1CO ZINC001142108960 1028126400 /nfs/dbraw/zinc/12/64/00/1028126400.db2.gz SCWBTHVHPDYBES-UHFFFAOYSA-N -1 3 379.438 3.616 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCn3cnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001142109477 1028129252 /nfs/dbraw/zinc/12/92/52/1028129252.db2.gz ROQXHDCJPBUSQO-UHFFFAOYSA-N -1 3 382.291 3.838 20 0 GHADHM O=C(Cc1ccsc1)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142118080 1028167931 /nfs/dbraw/zinc/16/79/31/1028167931.db2.gz AQLQOSSMGPLBOC-UHFFFAOYSA-N -1 3 385.316 3.647 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001213405308 1028168048 /nfs/dbraw/zinc/16/80/48/1028168048.db2.gz QSKRVQSUALATJR-RHSMWYFYSA-N -1 3 396.915 3.668 20 0 GHADHM O=C(Cc1ccccc1)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142118393 1028168174 /nfs/dbraw/zinc/16/81/74/1028168174.db2.gz JTXJVMVAAOFWSA-UHFFFAOYSA-N -1 3 379.287 3.586 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(F)c(I)c3)no2)n1 ZINC001213699637 1028340306 /nfs/dbraw/zinc/34/03/06/1028340306.db2.gz UNHIQESKIGXFFX-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccccc1C(F)(F)F)c1ccc(Cl)c(F)c1 ZINC001213831941 1028396986 /nfs/dbraw/zinc/39/69/86/1028396986.db2.gz PPVLDVDMRBRTMH-CQSZACIVSA-N -1 3 397.777 3.510 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)[n-]1 ZINC001213977279 1028486844 /nfs/dbraw/zinc/48/68/44/1028486844.db2.gz UYTHFAUOHCVFGR-UHFFFAOYSA-N -1 3 386.717 3.976 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(Br)cc1F ZINC001214048497 1028523356 /nfs/dbraw/zinc/52/33/56/1028523356.db2.gz KUKMHIUVLDBXLA-UONOGXRCSA-N -1 3 398.297 3.745 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCCC1)c1cnc(Cl)c(Br)c1 ZINC001214075172 1028535689 /nfs/dbraw/zinc/53/56/89/1028535689.db2.gz HGCKCQUGUAWKGC-JQWIXIFHSA-N -1 3 393.734 3.602 20 0 GHADHM O=C(CCc1cnccc1C(F)(F)F)Nc1ncc([O-])cc1Br ZINC001142334159 1028712425 /nfs/dbraw/zinc/71/24/25/1028712425.db2.gz FUFGSOGYWNMRPT-UHFFFAOYSA-N -1 3 390.159 3.535 20 0 GHADHM O=c1[nH]c(-c2nc(-c3cc(F)c(Cl)c(Br)c3)no2)ccc1[O-] ZINC001214538098 1028780923 /nfs/dbraw/zinc/78/09/23/1028780923.db2.gz ISDMZDIFSBKMNB-UHFFFAOYSA-N -1 3 386.564 3.765 20 0 GHADHM CC(C)c1nn(C)c(Cl)c1CN[C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000841811342 1028959014 /nfs/dbraw/zinc/95/90/14/1028959014.db2.gz FUSPYEMUMXNTKU-HNNXBMFYSA-N -1 3 381.929 3.922 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCc1cccc(C(=O)[O-])n1 ZINC000841815295 1028962030 /nfs/dbraw/zinc/96/20/30/1028962030.db2.gz HQKKBTIIWVIWDD-UHFFFAOYSA-N -1 3 398.894 3.876 20 0 GHADHM COc1cc(-c2nc(-c3cc(OC)c(OC)cc3Cl)no2)cc(OC)c1[O-] ZINC001215208073 1029089951 /nfs/dbraw/zinc/08/99/51/1029089951.db2.gz GFWHXOXHUGVKMI-UHFFFAOYSA-N -1 3 392.795 3.797 20 0 GHADHM Cc1c(F)ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1Cl ZINC001215448066 1029213583 /nfs/dbraw/zinc/21/35/83/1029213583.db2.gz PTHYAZWEBMTOCQ-UHFFFAOYSA-N -1 3 381.816 3.876 20 0 GHADHM O=c1cc(Nc2cccc(Cl)c2CN2CCOCC2)[n-]n1-c1ccccc1 ZINC001215714393 1029363382 /nfs/dbraw/zinc/36/33/82/1029363382.db2.gz QJSUMNPEMXJWPI-UHFFFAOYSA-N -1 3 384.867 3.807 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(-c4ccccc4-c4nnn[n-]4)n3)cn2)cc1 ZINC001216014809 1029492745 /nfs/dbraw/zinc/49/27/45/1029492745.db2.gz VQVGEHKFGRZURK-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(-c4ccccc4-c4nn[n-]n4)n3)cn2)cc1 ZINC001216014809 1029492753 /nfs/dbraw/zinc/49/27/53/1029492753.db2.gz VQVGEHKFGRZURK-UHFFFAOYSA-N -1 3 383.371 3.771 20 0 GHADHM Cc1ccc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)c(Br)c1 ZINC001216014902 1029493108 /nfs/dbraw/zinc/49/31/08/1029493108.db2.gz YQXRLPYUYHLRQJ-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)c(Br)c1 ZINC001216014902 1029493116 /nfs/dbraw/zinc/49/31/16/1029493116.db2.gz YQXRLPYUYHLRQJ-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Clc1ccnc2cccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)c12 ZINC001216120724 1029531265 /nfs/dbraw/zinc/53/12/65/1029531265.db2.gz BWZKTLOMSJVSPZ-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2cccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)c12 ZINC001216120724 1029531277 /nfs/dbraw/zinc/53/12/77/1029531277.db2.gz BWZKTLOMSJVSPZ-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM COc1cc(OC)c(C2OCCO2)cc1Nc1cccc([O-])c1Br ZINC001216546468 1029681388 /nfs/dbraw/zinc/68/13/88/1029681388.db2.gz IITDXCIXHUQUFI-UHFFFAOYSA-N -1 3 396.237 3.961 20 0 GHADHM CC[C@@H](C)c1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000842937648 1029698844 /nfs/dbraw/zinc/69/88/44/1029698844.db2.gz UXCVRBYPKDMLHG-HBGVWJBISA-N -1 3 380.488 3.939 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2cccc(-n3cc(Br)cn3)c2)no1 ZINC001216736531 1029911555 /nfs/dbraw/zinc/91/15/55/1029911555.db2.gz AAPWYWBLGGTXSB-UHFFFAOYSA-N -1 3 399.204 3.763 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3cc([O-])cc(C(F)(F)F)c3)n2)cc1 ZINC001216896215 1029984565 /nfs/dbraw/zinc/98/45/65/1029984565.db2.gz WTYGMJSUKHMFID-UHFFFAOYSA-N -1 3 393.321 3.761 20 0 GHADHM Cc1nc(-c2noc(-c3cc([O-])ccc3I)n2)ccc1F ZINC001216944872 1030018111 /nfs/dbraw/zinc/01/81/11/1030018111.db2.gz REAUDIUAUPZGFV-UHFFFAOYSA-N -1 3 397.147 3.556 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001216959533 1030033236 /nfs/dbraw/zinc/03/32/36/1030033236.db2.gz SGNNFSOCYGYDMK-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1[O-] ZINC001149198965 1030088862 /nfs/dbraw/zinc/08/88/62/1030088862.db2.gz IUZBRVRINUIKPB-KPFFTGBYSA-N -1 3 380.488 3.916 20 0 GHADHM Cc1cc(C(F)(F)F)nc2[nH]nc(NC(=O)c3ccc4cccnc4c3[O-])c21 ZINC001149314280 1030127857 /nfs/dbraw/zinc/12/78/57/1030127857.db2.gz CVOCQQZMZRSRGP-UHFFFAOYSA-N -1 3 387.321 3.791 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C2 ZINC001149673063 1030266565 /nfs/dbraw/zinc/26/65/65/1030266565.db2.gz YSZIQQAMMRNRQN-IBGZPJMESA-N -1 3 377.469 3.866 20 0 GHADHM Cn1ncc2cc(-c3noc(-c4nc5cc(Br)ccc5[n-]4)n3)ccc21 ZINC001217322161 1030309040 /nfs/dbraw/zinc/30/90/40/1030309040.db2.gz QDAHFTJCQDPJGN-UHFFFAOYSA-N -1 3 395.220 3.929 20 0 GHADHM Cn1ncc2cc(-c3noc(-c4nc5ccc(Br)cc5[n-]4)n3)ccc21 ZINC001217322161 1030309057 /nfs/dbraw/zinc/30/90/57/1030309057.db2.gz QDAHFTJCQDPJGN-UHFFFAOYSA-N -1 3 395.220 3.929 20 0 GHADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001217418701 1030378686 /nfs/dbraw/zinc/37/86/86/1030378686.db2.gz HRDQVNZSIDKVDU-UHFFFAOYSA-N -1 3 389.411 3.805 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2-c1nc(-c2nc3ccccc3cc2C)no1 ZINC001217471254 1030419433 /nfs/dbraw/zinc/41/94/33/1030419433.db2.gz XIJGBSQMYVBXHO-UHFFFAOYSA-N -1 3 385.383 3.923 20 0 GHADHM COC(=O)c1cccc2c(-c3nc(-c4nc5ccccc5cc4C)no3)n[n-]c21 ZINC001217471254 1030419440 /nfs/dbraw/zinc/41/94/40/1030419440.db2.gz XIJGBSQMYVBXHO-UHFFFAOYSA-N -1 3 385.383 3.923 20 0 GHADHM COc1cnc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c(Br)c1 ZINC001217491395 1030437950 /nfs/dbraw/zinc/43/79/50/1030437950.db2.gz BWORSTICFDSOCQ-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM CC(=O)c1ccc([N-]C(=O)c2nc3c(s2)CCCN3C(=O)C(C)C)c(F)c1 ZINC001150343686 1030496998 /nfs/dbraw/zinc/49/69/98/1030496998.db2.gz AWMTZEYDNHCELJ-UHFFFAOYSA-N -1 3 389.452 3.672 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC001150369784 1030509174 /nfs/dbraw/zinc/50/91/74/1030509174.db2.gz XMVVIBUTBHOOIR-OAHLLOKOSA-N -1 3 386.423 3.686 20 0 GHADHM O=C(N[C@@H]1COCc2ccccc21)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150476052 1030539294 /nfs/dbraw/zinc/53/92/94/1030539294.db2.gz DHPQFYRXWPXRNM-QGZVFWFLSA-N -1 3 388.345 3.548 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3CCCC(=O)C3(C)C)nc21 ZINC001223405403 1030558850 /nfs/dbraw/zinc/55/88/50/1030558850.db2.gz ZRDRHDVTXRSQGS-SCLBCKFNSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H]3CCCC(=O)C3(C)C)[n-]c21 ZINC001223405403 1030558860 /nfs/dbraw/zinc/55/88/60/1030558860.db2.gz ZRDRHDVTXRSQGS-SCLBCKFNSA-N -1 3 382.819 3.833 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2ccc3ncsc3c2)no1 ZINC001217637162 1030560414 /nfs/dbraw/zinc/56/04/14/1030560414.db2.gz PBDJEWVXYVGPTE-UHFFFAOYSA-N -1 3 377.385 3.676 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2nc3ccccc3cc2C)no1 ZINC001217636292 1030560734 /nfs/dbraw/zinc/56/07/34/1030560734.db2.gz FAPRJMGQOLWIMN-UHFFFAOYSA-N -1 3 385.383 3.923 20 0 GHADHM Cc1ccc(O)cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001151617138 1030957005 /nfs/dbraw/zinc/95/70/05/1030957005.db2.gz MIVJHNPZFWRMOJ-OAQYLSRUSA-N -1 3 390.439 3.906 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)cc1)c1nc2cc(Br)ccc2[n-]1 ZINC001151818922 1031015205 /nfs/dbraw/zinc/01/52/05/1031015205.db2.gz AWBYMNCFTLBXLS-UHFFFAOYSA-N -1 3 382.221 3.763 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)cc1)c1nc2ccc(Br)cc2[n-]1 ZINC001151818922 1031015229 /nfs/dbraw/zinc/01/52/29/1031015229.db2.gz AWBYMNCFTLBXLS-UHFFFAOYSA-N -1 3 382.221 3.763 20 0 GHADHM Cc1c(Cl)cc(NC(=O)[C@@H](N)Cc2cc(F)cc(F)c2)c([O-])c1Cl ZINC001219012799 1031212032 /nfs/dbraw/zinc/21/20/32/1031212032.db2.gz HZQZWFUSPKEWLN-LBPRGKRZSA-N -1 3 375.202 3.794 20 0 GHADHM O=C(NC1(Cc2ccccc2)CCC(F)(F)CC1)c1cccc2c1[N-]C(=O)C2=O ZINC001152460790 1031250215 /nfs/dbraw/zinc/25/02/15/1031250215.db2.gz UACBVLZGMUQAIQ-UHFFFAOYSA-N -1 3 398.409 3.742 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)c3cc(F)ccc3n2)[n-]n1 ZINC001152685681 1031325322 /nfs/dbraw/zinc/32/53/22/1031325322.db2.gz UTLGULNBBVINRM-UHFFFAOYSA-N -1 3 396.300 3.545 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)c3cc(F)ccc3n2)n[n-]1 ZINC001152685681 1031325340 /nfs/dbraw/zinc/32/53/40/1031325340.db2.gz UTLGULNBBVINRM-UHFFFAOYSA-N -1 3 396.300 3.545 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225580034 1031489447 /nfs/dbraw/zinc/48/94/47/1031489447.db2.gz TZFMSQPTKMHMOT-CMPLNLGQSA-N -1 3 391.390 3.615 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3csc(-c4ccco4)n3)c2)n1 ZINC000049304688 1031588362 /nfs/dbraw/zinc/58/83/62/1031588362.db2.gz JTDAMTCFHKQWEA-UHFFFAOYSA-N -1 3 392.440 3.968 20 0 GHADHM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153460222 1031603819 /nfs/dbraw/zinc/60/38/19/1031603819.db2.gz DEFUYFUQULLXIS-IINYFYTJSA-N -1 3 384.860 3.745 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(CCc2ccccc2)n1 ZINC001153471906 1031607376 /nfs/dbraw/zinc/60/73/76/1031607376.db2.gz DIMBRHPYEOZNQH-UHFFFAOYSA-N -1 3 386.249 3.846 20 0 GHADHM O=C(OCc1ccccc1)C1CC(Oc2cc(C(F)(F)F)[n-]c(=S)n2)C1 ZINC001225852393 1031653394 /nfs/dbraw/zinc/65/33/94/1031653394.db2.gz HRPYPDBNIJAPBQ-UHFFFAOYSA-N -1 3 384.379 3.685 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226117442 1031795394 /nfs/dbraw/zinc/79/53/94/1031795394.db2.gz NEBAXKCGIJROCC-KGLIPLIRSA-N -1 3 383.489 3.759 20 0 GHADHM O=C(NCc1ccc(-c2ncccn2)cc1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153907770 1031804262 /nfs/dbraw/zinc/80/42/62/1031804262.db2.gz AJXSSRUVPHFPSK-UHFFFAOYSA-N -1 3 390.830 3.569 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)nc1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153905930 1031804383 /nfs/dbraw/zinc/80/43/83/1031804383.db2.gz LRZSIFUDJZJPML-UHFFFAOYSA-N -1 3 395.768 3.568 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)[n-]c2c1 ZINC001154111006 1031933352 /nfs/dbraw/zinc/93/33/52/1031933352.db2.gz PIVLWCZZDPNEOJ-HSZRJFAPSA-N -1 3 399.450 3.584 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001461824541 1069773123 /nfs/dbraw/zinc/77/31/23/1069773123.db2.gz CTXZMBQBJVKPEK-NEPJUHHUSA-N 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ZINC001226554535 1032011617 /nfs/dbraw/zinc/01/16/17/1032011617.db2.gz XBEUKVVVYOWOAP-JTQLQIEISA-N -1 3 394.612 3.659 20 0 GHADHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(F)c(C)c1 ZINC001154296366 1032028412 /nfs/dbraw/zinc/02/84/12/1032028412.db2.gz URTIFTYGXRDUSW-UHFFFAOYSA-N -1 3 384.860 3.826 20 0 GHADHM CN(C(=O)c1ccc2c(c1)c(=O)[n-][nH]c2=O)C(c1ccccc1)c1ccccc1 ZINC001154309996 1032035499 /nfs/dbraw/zinc/03/54/99/1032035499.db2.gz DISXMAHDMKXZCR-UHFFFAOYSA-N -1 3 385.423 3.903 20 0 GHADHM CN(C(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1)C(c1ccccc1)c1ccccc1 ZINC001154309996 1032035516 /nfs/dbraw/zinc/03/55/16/1032035516.db2.gz DISXMAHDMKXZCR-UHFFFAOYSA-N -1 3 385.423 3.903 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)[n-]n1 ZINC001157099914 1033413155 /nfs/dbraw/zinc/41/31/55/1033413155.db2.gz HXWDSAGSIKYSQT-UHFFFAOYSA-N -1 3 397.431 3.617 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)n[n-]1 ZINC001157099914 1033413160 /nfs/dbraw/zinc/41/31/60/1033413160.db2.gz HXWDSAGSIKYSQT-UHFFFAOYSA-N -1 3 397.431 3.617 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157234455 1033486144 /nfs/dbraw/zinc/48/61/44/1033486144.db2.gz QIADBAMRAXYIDG-NWDGAFQWSA-N -1 3 384.402 3.900 20 0 GHADHM C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(=O)c3c([O-])cc([O-])cc3oc1-c1ccccc1)C2 ZINC001229771245 1033700182 /nfs/dbraw/zinc/70/01/82/1033700182.db2.gz AVNJNYAVLXJFPY-SCAQPMJSSA-N -1 3 393.439 3.875 20 0 GHADHM C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(=O)c3c([O-])cc([O-])cc3oc1-c1ccccc1)C2 ZINC001229771245 1033700200 /nfs/dbraw/zinc/70/02/00/1033700200.db2.gz AVNJNYAVLXJFPY-SCAQPMJSSA-N -1 3 393.439 3.875 20 0 GHADHM COC[C@@H](C)OC[C@@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229811640 1033732334 /nfs/dbraw/zinc/73/23/34/1033732334.db2.gz SNSPUGNZCCPTEB-ZIAGYGMSSA-N -1 3 376.449 3.884 20 0 GHADHM CCCCO[C@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC001229843777 1033746308 /nfs/dbraw/zinc/74/63/08/1033746308.db2.gz TWKCOPIPPYJYCK-CVEARBPZSA-N -1 3 399.329 3.938 20 0 GHADHM COC(=O)Cc1c(=O)[n-]cnc1O[C@H]1CCN(c2ccccc2)c2ccccc21 ZINC001230500455 1034092194 /nfs/dbraw/zinc/09/21/94/1034092194.db2.gz LRFHWSHESIJZRC-IBGZPJMESA-N -1 3 391.427 3.560 20 0 GHADHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(Cl)nc2Cl)c1 ZINC000326263369 1034267540 /nfs/dbraw/zinc/26/75/40/1034267540.db2.gz GMUAGJHSOYWYCF-UHFFFAOYSA-N -1 3 389.260 3.593 20 0 GHADHM O=C(CSc1ccccc1Cl)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158784145 1034271319 /nfs/dbraw/zinc/27/13/19/1034271319.db2.gz OXMAFTQJASZNNP-JOCQHMNTSA-N -1 3 377.897 3.770 20 0 GHADHM CCCC[C@@H](C)N(CCCC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001159127620 1034437523 /nfs/dbraw/zinc/43/75/23/1034437523.db2.gz ZDEZGDFIQBVQTR-OAHLLOKOSA-N -1 3 389.471 3.695 20 0 GHADHM CCCC[C@@H](C)N(CCCC)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001159127620 1034437536 /nfs/dbraw/zinc/43/75/36/1034437536.db2.gz ZDEZGDFIQBVQTR-OAHLLOKOSA-N -1 3 389.471 3.695 20 0 GHADHM CCN(Cc1cc(C)c(F)cc1Br)Cc1c([O-])c(C)ncc1CO ZINC001207621487 1034493430 /nfs/dbraw/zinc/49/34/30/1034493430.db2.gz GTZCFHLFIIYXLN-UHFFFAOYSA-N -1 3 397.288 3.820 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCCN2Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231457491 1034600135 /nfs/dbraw/zinc/60/01/35/1034600135.db2.gz VAQPWDAOXUJQEL-UHFFFAOYSA-N -1 3 392.471 3.889 20 0 GHADHM COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231459518 1034602633 /nfs/dbraw/zinc/60/26/33/1034602633.db2.gz CFDANQVXSJRXJC-PMACEKPBSA-N -1 3 385.435 3.835 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(OCC(F)F)ccn1 ZINC001159552272 1034661203 /nfs/dbraw/zinc/66/12/03/1034661203.db2.gz YEYUCTSQJTYUNF-UHFFFAOYSA-N -1 3 387.180 3.754 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]12CCN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231522372 1034673765 /nfs/dbraw/zinc/67/37/65/1034673765.db2.gz GDQPOJPRWRXNSO-SFHVURJKSA-N -1 3 386.414 3.996 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523675 1034675662 /nfs/dbraw/zinc/67/56/62/1034675662.db2.gz VBQHORFEFXZQGF-YDHLFZDLSA-N -1 3 386.414 3.899 20 0 GHADHM Cc1cc(C(C)(C)NC(=O)c2cc3c(cc2[O-])OCO3)ccc1Br ZINC001160432842 1034973237 /nfs/dbraw/zinc/97/32/37/1034973237.db2.gz DFZQCWAQYHQLLJ-UHFFFAOYSA-N -1 3 392.249 3.857 20 0 GHADHM CN(C)C[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1ccc(F)cc1 ZINC001160517952 1034993241 /nfs/dbraw/zinc/99/32/41/1034993241.db2.gz CMDZWMUKGQWHTD-LJQANCHMSA-N -1 3 396.418 3.637 20 0 GHADHM Cc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1N1CCCC1 ZINC001208923685 1035091156 /nfs/dbraw/zinc/09/11/56/1035091156.db2.gz MJIBZNNOGPIGJR-LLVKDONJSA-N -1 3 382.390 3.615 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001161118778 1035147197 /nfs/dbraw/zinc/14/71/97/1035147197.db2.gz CHCATWXLIHFODB-HNNXBMFYSA-N -1 3 392.496 3.700 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)o1 ZINC001209266601 1035227242 /nfs/dbraw/zinc/22/72/42/1035227242.db2.gz OVGKDONLUYDHDB-KRWDZBQOSA-N -1 3 382.913 3.574 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)c([O-])c1 ZINC001161706271 1035288098 /nfs/dbraw/zinc/28/80/98/1035288098.db2.gz UEUOSMSQEANGOM-DFQSSKMNSA-N -1 3 394.515 3.909 20 0 GHADHM O=S(=O)(c1ccccc1)n1ccc2c1nccc2-c1c(F)ccc([O-])c1F ZINC001241292932 1035551225 /nfs/dbraw/zinc/55/12/25/1035551225.db2.gz ODIJZDBVSNQFQQ-UHFFFAOYSA-N -1 3 386.379 3.924 20 0 GHADHM CCOC(=O)c1csc(Cc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC001241446841 1035585165 /nfs/dbraw/zinc/58/51/65/1035585165.db2.gz UTLAVCQRXJQYDZ-UHFFFAOYSA-N -1 3 391.456 3.758 20 0 GHADHM CCOC(=O)c1csc(Cc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC001241446841 1035585175 /nfs/dbraw/zinc/58/51/75/1035585175.db2.gz UTLAVCQRXJQYDZ-UHFFFAOYSA-N -1 3 391.456 3.758 20 0 GHADHM N[C@@H](Cc1ccc([O-])c(Cl)c1)c1nc(-c2ccc(F)c3c2C(=O)CC3)no1 ZINC001248250145 1035698445 /nfs/dbraw/zinc/69/84/45/1035698445.db2.gz QCGNKPOMIRBHJM-AWEZNQCLSA-N -1 3 387.798 3.606 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Br)s1 ZINC001248582924 1035971278 /nfs/dbraw/zinc/97/12/78/1035971278.db2.gz KLJJAUKSTMMXBC-UHFFFAOYSA-N -1 3 381.207 3.533 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Br)s1 ZINC001248582924 1035971284 /nfs/dbraw/zinc/97/12/84/1035971284.db2.gz KLJJAUKSTMMXBC-UHFFFAOYSA-N -1 3 381.207 3.533 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC(=O)CCc2c(C)nc[n-]c2=O)n1 ZINC001248616599 1035993375 /nfs/dbraw/zinc/99/33/75/1035993375.db2.gz FTKFQASOJNNVQF-UHFFFAOYSA-N -1 3 384.461 3.502 20 0 GHADHM CCOc1ccc(F)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1Br ZINC001243256302 1036081409 /nfs/dbraw/zinc/08/14/09/1036081409.db2.gz BQOHQZOSIPCWKH-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCOc1ccc(F)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1Br ZINC001243256302 1036081427 /nfs/dbraw/zinc/08/14/27/1036081427.db2.gz BQOHQZOSIPCWKH-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCN(CC)C(=O)c1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(OC)c1 ZINC001243495734 1036174927 /nfs/dbraw/zinc/17/49/27/1036174927.db2.gz VEVBJGNOUIXDMN-UHFFFAOYSA-N -1 3 385.411 3.942 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(C(=O)Nc4cccc(F)c4)cc3)ccc2[n-]1 ZINC001244381438 1036487085 /nfs/dbraw/zinc/48/70/85/1036487085.db2.gz RFXOJGSKJWLHDF-UHFFFAOYSA-N -1 3 390.374 3.755 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(C(=O)Nc4cccc(F)c4)cc3)[n-]c-2n1 ZINC001244381438 1036487094 /nfs/dbraw/zinc/48/70/94/1036487094.db2.gz RFXOJGSKJWLHDF-UHFFFAOYSA-N -1 3 390.374 3.755 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CO)nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457760 1036509285 /nfs/dbraw/zinc/50/92/85/1036509285.db2.gz RYONUNOWVMFRDF-UHFFFAOYSA-N -1 3 384.354 3.830 20 0 GHADHM FC(F)(F)Oc1cccc(Br)c1-c1cncc(-c2nnn[n-]2)c1 ZINC001244518870 1036529640 /nfs/dbraw/zinc/52/96/40/1036529640.db2.gz DJZASZMGFBNQFI-UHFFFAOYSA-N -1 3 386.131 3.590 20 0 GHADHM FC(F)(F)Oc1cccc(Br)c1-c1cncc(-c2nn[n-]n2)c1 ZINC001244518870 1036529652 /nfs/dbraw/zinc/52/96/52/1036529652.db2.gz DJZASZMGFBNQFI-UHFFFAOYSA-N -1 3 386.131 3.590 20 0 GHADHM CCOC(=O)c1nc2cc(C(F)(F)F)c(-c3cc(C)c(F)c([O-])c3)cn2n1 ZINC001244529544 1036533311 /nfs/dbraw/zinc/53/33/11/1036533311.db2.gz BIDLAGBRCZUPLS-UHFFFAOYSA-N -1 3 383.301 3.745 20 0 GHADHM CCOC(=O)c1ccccc1NC(=S)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001245439611 1036924652 /nfs/dbraw/zinc/92/46/52/1036924652.db2.gz FMTSXGAGHMHWBQ-UHFFFAOYSA-N -1 3 394.880 3.718 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2cc(F)cc(Br)c2)no1 ZINC001247263798 1038041567 /nfs/dbraw/zinc/04/15/67/1038041567.db2.gz UGNFTAJEFAYJIY-UHFFFAOYSA-N -1 3 397.591 3.939 20 0 GHADHM CCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(Cl)c([O-])c4Cl)C[C@@H]32)N=C1C ZINC001232627723 1038415442 /nfs/dbraw/zinc/41/54/42/1038415442.db2.gz JUFNWZCSCIOUJB-SPKLELGKSA-N -1 3 396.318 3.560 20 0 GHADHM CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccc([O-])c3Cl)C[C@@H]12 ZINC001232787286 1038553262 /nfs/dbraw/zinc/55/32/62/1038553262.db2.gz KXHXGPCNWKGRRA-IFMALSPDSA-N -1 3 384.907 3.810 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2F)[C@@H](C(F)(F)F)C1 ZINC001233055141 1038814883 /nfs/dbraw/zinc/81/48/83/1038814883.db2.gz LBCVFUGOZMBAFH-CYBMUJFWSA-N -1 3 378.366 3.515 20 0 GHADHM O=C(NC1CCN(Cc2cccc([O-])c2F)CC1)c1ccccc1C(F)(F)F ZINC001233056101 1038816001 /nfs/dbraw/zinc/81/60/01/1038816001.db2.gz ZNWHPAGHWMOQTE-UHFFFAOYSA-N -1 3 396.384 3.945 20 0 GHADHM O=C(OCc1ccccc1)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC001252892290 1039234355 /nfs/dbraw/zinc/23/43/55/1039234355.db2.gz FODRSJULCMZHDI-UHFFFAOYSA-N -1 3 381.453 3.986 20 0 GHADHM COc1ccc(CN2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401050 1039240801 /nfs/dbraw/zinc/24/08/01/1039240801.db2.gz KCSPRFRVHOIERE-OCCSQVGLSA-N -1 3 384.904 3.789 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNc2c([O-])cc(F)cc2F)cc1 ZINC001253426107 1039622663 /nfs/dbraw/zinc/62/26/63/1039622663.db2.gz OSJFOUCLFCOKBQ-OAHLLOKOSA-N -1 3 379.403 3.598 20 0 GHADHM CCCS(=O)(=O)[N-]c1ccccc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253715233 1039777323 /nfs/dbraw/zinc/77/73/23/1039777323.db2.gz FYYFQXMRELSYGZ-HNNXBMFYSA-N -1 3 398.525 3.617 20 0 GHADHM CC(C)C(=O)Nc1ccc(OC(=O)c2cccc(Br)c2[O-])cc1 ZINC001254033542 1039966297 /nfs/dbraw/zinc/96/62/97/1039966297.db2.gz OCGIGVDIHLGUOG-UHFFFAOYSA-N -1 3 378.222 3.968 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])cc(Cl)cc2F)[C@H]2OCCC[C@H]21 ZINC001234448405 1040041113 /nfs/dbraw/zinc/04/11/13/1040041113.db2.gz RSBDRJLYKKVBFO-INWMFGNUSA-N -1 3 387.835 3.730 20 0 GHADHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C)c1cnn(C)c1C ZINC001234606422 1040163384 /nfs/dbraw/zinc/16/33/84/1040163384.db2.gz BNBLAAWIPMLVSX-JTQLQIEISA-N -1 3 383.242 3.513 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(O[C@H](C)C(C)=O)c-2o1 ZINC001234731415 1040260590 /nfs/dbraw/zinc/26/05/90/1040260590.db2.gz GIKLMQUZWAPMLO-GFCCVEGCSA-N -1 3 384.384 3.539 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)cc2)cc1 ZINC001255216759 1040910926 /nfs/dbraw/zinc/91/09/26/1040910926.db2.gz DQQXNUAVDBTOBL-UHFFFAOYSA-N -1 3 375.490 3.998 20 0 GHADHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](CCc3ccccc3)C(F)(F)F)cc2o1 ZINC001255612403 1041167425 /nfs/dbraw/zinc/16/74/25/1041167425.db2.gz XBQOHTVCRBSTSU-KRWDZBQOSA-N -1 3 398.406 3.978 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1 ZINC001235923005 1041431983 /nfs/dbraw/zinc/43/19/83/1041431983.db2.gz OYRVMJAUTJZHAH-UHFFFAOYSA-N -1 3 379.464 3.801 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1 ZINC001235923005 1041431991 /nfs/dbraw/zinc/43/19/91/1041431991.db2.gz OYRVMJAUTJZHAH-UHFFFAOYSA-N -1 3 379.464 3.801 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)C1CCOCC1)c1ccc(F)cc1F ZINC001256098119 1041525887 /nfs/dbraw/zinc/52/58/87/1041525887.db2.gz GJIODWPHBRWGFO-GOSISDBHSA-N -1 3 385.407 3.550 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1F ZINC001256101798 1041528749 /nfs/dbraw/zinc/52/87/49/1041528749.db2.gz CFSAOMHWWSJMLM-IBGZPJMESA-N -1 3 375.396 3.738 20 0 GHADHM COc1ccc2sc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC001236668338 1041814918 /nfs/dbraw/zinc/81/49/18/1041814918.db2.gz VARXUOAASKAKHX-UHFFFAOYSA-N -1 3 382.485 3.574 20 0 GHADHM Cc1cncc(COCc2cnc3n2CCN(Cc2cc([O-])cc(F)c2)[C@H]3C)c1 ZINC001237282403 1042122446 /nfs/dbraw/zinc/12/24/46/1042122446.db2.gz YSYXGWFBCMJWKQ-INIZCTEOSA-N -1 3 396.466 3.725 20 0 GHADHM CN(Cc1cc(Cl)nc(Cl)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237527841 1042252220 /nfs/dbraw/zinc/25/22/20/1042252220.db2.gz FECYUCBZGTYAMI-LLVKDONJSA-N -1 3 376.284 3.535 20 0 GHADHM O=S(=O)([N-]c1cc([C@H]2CCCN2)no1)c1ccc2c(Cl)cccc2c1 ZINC001237551332 1042260709 /nfs/dbraw/zinc/26/07/09/1042260709.db2.gz ZXWJCXPQAUZCLN-OAHLLOKOSA-N -1 3 377.853 3.707 20 0 GHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(Br)c2)cc1 ZINC001237675933 1042317327 /nfs/dbraw/zinc/31/73/27/1042317327.db2.gz JHAPLSDPLKEIQI-UHFFFAOYSA-N -1 3 395.200 3.851 20 0 GHADHM Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)cc1Cl ZINC001237700116 1042331442 /nfs/dbraw/zinc/33/14/42/1042331442.db2.gz UAJGGUDCOSNPON-UHFFFAOYSA-N -1 3 379.287 3.965 20 0 GHADHM Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001237773254 1042362487 /nfs/dbraw/zinc/36/24/87/1042362487.db2.gz LPYVREKURYXJIY-UHFFFAOYSA-N -1 3 384.738 3.761 20 0 GHADHM CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001238895112 1042747698 /nfs/dbraw/zinc/74/76/98/1042747698.db2.gz RJTOJYAYJVBLPW-UHFFFAOYSA-N -1 3 391.440 3.528 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2[nH]ccc2-c2ccccc2)cc1OC ZINC001291826282 1043490232 /nfs/dbraw/zinc/49/02/32/1043490232.db2.gz VSLFSFZEFCGFPC-UHFFFAOYSA-N -1 3 399.472 3.704 20 0 GHADHM O=S(=O)([N-]Cc1cccnc1C(F)(F)F)c1ccccc1C(F)(F)F ZINC001256672450 1043612681 /nfs/dbraw/zinc/61/26/81/1043612681.db2.gz FNWCDFRJEFYLEZ-UHFFFAOYSA-N -1 3 384.301 3.598 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nnc(-c2ccc(OC(C)C)cc2)o1 ZINC001256871588 1043712648 /nfs/dbraw/zinc/71/26/48/1043712648.db2.gz NVUDVTRVHSRCIE-UHFFFAOYSA-N -1 3 378.388 3.854 20 0 GHADHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC001257183466 1043923615 /nfs/dbraw/zinc/92/36/15/1043923615.db2.gz SEHZYLKTSXIKLY-CYBMUJFWSA-N -1 3 386.300 3.838 20 0 GHADHM CC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257294109 1043959250 /nfs/dbraw/zinc/95/92/50/1043959250.db2.gz YVKWHSWLGPHCNN-SNVBAGLBSA-N -1 3 397.324 3.575 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OC2CCC2)n1)c1cccc(Cl)c1Cl ZINC001257300942 1043961385 /nfs/dbraw/zinc/96/13/85/1043961385.db2.gz YMKLZEQXIXFUIZ-UHFFFAOYSA-N -1 3 387.288 3.798 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC001257780573 1044167311 /nfs/dbraw/zinc/16/73/11/1044167311.db2.gz SMKRRCIKETXMIL-AWEZNQCLSA-N -1 3 385.316 3.546 20 0 GHADHM O=C([N-]Cc1nc2cc(F)ccc2[nH]1)C(F)(F)c1cccc(Br)c1 ZINC001293981508 1044406801 /nfs/dbraw/zinc/40/68/01/1044406801.db2.gz DDXYVRJNVRBGQZ-UHFFFAOYSA-N -1 3 398.182 3.873 20 0 GHADHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1Cl ZINC001258917231 1044873518 /nfs/dbraw/zinc/87/35/18/1044873518.db2.gz UTIYUEZEEYRFOK-UHFFFAOYSA-N -1 3 396.198 3.859 20 0 GHADHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cncc(-c3ccccc3)c1)C(=O)C2 ZINC001258967253 1044911338 /nfs/dbraw/zinc/91/13/38/1044911338.db2.gz DTXSFGPIRDZJFQ-UWJYYQICSA-N -1 3 384.501 3.886 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC001259062524 1044942722 /nfs/dbraw/zinc/94/27/22/1044942722.db2.gz ZKSOBAQQENZHCM-NSHDSACASA-N -1 3 386.336 3.594 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC001295322125 1044980618 /nfs/dbraw/zinc/98/06/18/1044980618.db2.gz PCOFDWNDLMAXFD-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnnn1-c1ccccc1Br ZINC001295350469 1044985673 /nfs/dbraw/zinc/98/56/73/1044985673.db2.gz GFDYDUIBMAYJNO-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)cc1 ZINC001259177151 1044993926 /nfs/dbraw/zinc/99/39/26/1044993926.db2.gz FKYUVLCTKCCGAK-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc(Br)c(F)c1F ZINC001259252973 1045043648 /nfs/dbraw/zinc/04/36/48/1045043648.db2.gz KNSSVOLFMDTAHH-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 ZINC001259368862 1045103221 /nfs/dbraw/zinc/10/32/21/1045103221.db2.gz CDIJUOITTOZARF-UHFFFAOYSA-N -1 3 385.342 3.831 20 0 GHADHM O=S(=O)(Nc1cccc([O-])c1Br)c1ccc2ncsc2c1 ZINC001259397862 1045123290 /nfs/dbraw/zinc/12/32/90/1045123290.db2.gz QUSXIWHLNQCTGN-UHFFFAOYSA-N -1 3 385.264 3.565 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc(OC(F)F)c1 ZINC001259446533 1045162939 /nfs/dbraw/zinc/16/29/39/1045162939.db2.gz GCEBNNJMVHDOJS-UHFFFAOYSA-N -1 3 386.395 3.828 20 0 GHADHM O=S(=O)([N-]Cc1ccsc1Br)c1cccc(Cl)c1F ZINC001259471531 1045184088 /nfs/dbraw/zinc/18/40/88/1045184088.db2.gz CMQWXFDFVCTXIJ-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccc(Cl)cc1 ZINC001259472282 1045184159 /nfs/dbraw/zinc/18/41/59/1045184159.db2.gz OFUMGOFYZRZOHI-PSLIRLAXSA-N -1 3 378.252 3.533 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1cccc2ccccc21)c1ccc(Cl)cc1F ZINC001259515808 1045217923 /nfs/dbraw/zinc/21/79/23/1045217923.db2.gz QDBKFMMPIPUAPU-QGZVFWFLSA-N -1 3 379.840 3.644 20 0 GHADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(Cl)c2)c1 ZINC001259522782 1045220881 /nfs/dbraw/zinc/22/08/81/1045220881.db2.gz YWXYFFLTTLRRTP-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1-c1ccccc1 ZINC001259849723 1045318194 /nfs/dbraw/zinc/31/81/94/1045318194.db2.gz MREYCMCKQCLHIS-UHFFFAOYSA-N -1 3 383.425 3.892 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(C(C)(C)O)c2)s1 ZINC001296617155 1045344858 /nfs/dbraw/zinc/34/48/58/1045344858.db2.gz CWGLREKTBOFFHR-UHFFFAOYSA-N -1 3 377.466 3.970 20 0 GHADHM CCCCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)OC)cc2)cc1 ZINC001260570044 1045555805 /nfs/dbraw/zinc/55/58/05/1045555805.db2.gz TUQWLUMNDWVHQH-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC001260577031 1045564360 /nfs/dbraw/zinc/56/43/60/1045564360.db2.gz FSLDELPXCMFRIO-MDWZMJQESA-N -1 3 389.473 3.853 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2CCCO)cc1 ZINC001260577391 1045564510 /nfs/dbraw/zinc/56/45/10/1045564510.db2.gz MVSLSHVITZREIG-UHFFFAOYSA-N -1 3 377.506 3.900 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC001260577413 1045564933 /nfs/dbraw/zinc/56/49/33/1045564933.db2.gz NMTNIVSIUBTKJW-UHFFFAOYSA-N -1 3 389.477 3.644 20 0 GHADHM Cc1cccc(C2(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])CCCC2)c1 ZINC001297611018 1045587449 /nfs/dbraw/zinc/58/74/49/1045587449.db2.gz UDSOKKDXAZXPNY-DLBZAZTESA-N -1 3 395.503 3.687 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(F)c1 ZINC001260718186 1045624561 /nfs/dbraw/zinc/62/45/61/1045624561.db2.gz VRRZUJMAQUJDKH-UHFFFAOYSA-N -1 3 393.436 3.517 20 0 GHADHM CCC[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCc1ccccc1 ZINC001260837545 1045705343 /nfs/dbraw/zinc/70/53/43/1045705343.db2.gz MXCDGMTXDXMIMG-GOSISDBHSA-N -1 3 395.908 3.672 20 0 GHADHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC001260972503 1045789783 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Cc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)ccc1Br ZINC001299814515 1046050980 /nfs/dbraw/zinc/05/09/80/1046050980.db2.gz WHQIACFFGKCDET-UHFFFAOYSA-N -1 3 380.242 3.688 20 0 GHADHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)ccc1Br ZINC001299814515 1046050995 /nfs/dbraw/zinc/05/09/95/1046050995.db2.gz WHQIACFFGKCDET-UHFFFAOYSA-N -1 3 380.242 3.688 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2C)c(F)c1 ZINC001463025027 1070739697 /nfs/dbraw/zinc/73/96/97/1070739697.db2.gz WUXSUGBVFHDQQF-UHFFFAOYSA-N -1 3 393.480 3.610 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCc1ccc(C(C)C)cc1 ZINC001463079025 1070778303 /nfs/dbraw/zinc/77/83/03/1070778303.db2.gz IMVOORMWFFWECS-UHFFFAOYSA-N -1 3 393.480 3.647 20 0 GHADHM CCc1ccc(C2CCN(c3nnc(-c4cc(=O)[n-]c(C)n4)n3CC)CC2)cc1 ZINC001263010251 1046497186 /nfs/dbraw/zinc/49/71/86/1046497186.db2.gz RVVDKYBWYIYEJV-UHFFFAOYSA-N -1 3 392.507 3.715 20 0 GHADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC001463126204 1070827322 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GHADHM CCn1ncc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1-c1ccccc1 ZINC001304819379 1047781884 /nfs/dbraw/zinc/78/18/84/1047781884.db2.gz INRBDWQZZGNUIE-QAQDUYKDSA-N -1 3 391.475 3.522 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)Oc1cccc(Cl)c1 ZINC001463274000 1070954583 /nfs/dbraw/zinc/95/45/83/1070954583.db2.gz SDWBBVOVLBVYDF-LLVKDONJSA-N -1 3 393.267 3.663 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c(C)nc1C ZINC001305445056 1048057175 /nfs/dbraw/zinc/05/71/75/1048057175.db2.gz HQIQCZQIWBUVHI-UHFFFAOYSA-N -1 3 395.488 3.872 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c([O-])c1 ZINC001306652758 1048791336 /nfs/dbraw/zinc/79/13/36/1048791336.db2.gz WILUAXUZRGZBSE-SFHVURJKSA-N -1 3 396.487 3.606 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc3ccc(Cl)cc3n1)c2=O ZINC001306830961 1048918915 /nfs/dbraw/zinc/91/89/15/1048918915.db2.gz NRUKOUKPGOGHMO-UHFFFAOYSA-N -1 3 379.803 3.991 20 0 GHADHM COc1ccc2[nH]c([C@@H](C)NC(=O)c3c([O-])cnc4ccc(Cl)cc43)nc2c1 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O=S(=O)([N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccnc1Cl ZINC001309506643 1050771560 /nfs/dbraw/zinc/77/15/60/1050771560.db2.gz SRBOXWSIOOCIGE-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCCC1(C)C ZINC001309522401 1050780968 /nfs/dbraw/zinc/78/09/68/1050780968.db2.gz MLEIZMBTQNSONW-GFCCVEGCSA-N -1 3 381.519 3.793 20 0 GHADHM CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001475324906 1050801218 /nfs/dbraw/zinc/80/12/18/1050801218.db2.gz MIWGMPDOHLDXJL-VIFPVBQESA-N -1 3 381.723 3.602 20 0 GHADHM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001309584891 1050836077 /nfs/dbraw/zinc/83/60/77/1050836077.db2.gz INKQBDLBRKGHMM-HOCLYGCPSA-N -1 3 385.501 3.887 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)[C@H]1CC1(C)C ZINC001309599508 1050851255 /nfs/dbraw/zinc/85/12/55/1050851255.db2.gz GTKCDVUBGFVGFQ-CHWSQXEVSA-N -1 3 381.519 3.791 20 0 GHADHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC001309628555 1050877908 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GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCCC1 ZINC001309959112 1051072860 /nfs/dbraw/zinc/07/28/60/1051072860.db2.gz FEUBYNLXNHOFBF-RYUDHWBXSA-N -1 3 378.357 3.924 20 0 GHADHM O=c1[nH]c2ccccc2cc1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001309966239 1051076582 /nfs/dbraw/zinc/07/65/82/1051076582.db2.gz CZMXDJKWPRWPLC-UHFFFAOYSA-N -1 3 397.481 3.542 20 0 GHADHM O=C(CC12CC3CC(C1)CC(CC(=O)NOC1CCC1)(C3)C2)[N-]OC1CCC1 ZINC001330804339 1051112542 /nfs/dbraw/zinc/11/25/42/1051112542.db2.gz ORRQSKQDVUSMKU-UHFFFAOYSA-N -1 3 390.524 3.554 20 0 GHADHM CCc1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)c1[O-] ZINC001331311326 1051244326 /nfs/dbraw/zinc/24/43/26/1051244326.db2.gz YAUBBKSADUICFL-UHFFFAOYSA-N -1 3 395.484 3.967 20 0 GHADHM COC(=O)c1c(Cl)ccc([N-]C(=O)c2ncoc2[C@H]2CCCO2)c1Cl ZINC001332939888 1051611022 /nfs/dbraw/zinc/61/10/22/1051611022.db2.gz BCMPREHPNZGTHG-SNVBAGLBSA-N -1 3 385.203 3.872 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001335543145 1052128119 /nfs/dbraw/zinc/12/81/19/1052128119.db2.gz KSDYICGOICFWLY-FQEVSTJZSA-N -1 3 398.409 3.704 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC001335995426 1052212763 /nfs/dbraw/zinc/21/27/63/1052212763.db2.gz YLSFYOWLWFZIOH-JTQLQIEISA-N -1 3 398.834 3.516 20 0 GHADHM CC(C)c1nsc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)n1 ZINC001336068916 1052223197 /nfs/dbraw/zinc/22/31/97/1052223197.db2.gz DWPFNZXCTDSJEX-UHFFFAOYSA-N -1 3 378.408 3.772 20 0 GHADHM CCCC1(CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC001312267136 1052669863 /nfs/dbraw/zinc/66/98/63/1052669863.db2.gz TUMNQPORGSKPJF-AWEZNQCLSA-N -1 3 397.441 3.949 20 0 GHADHM CC(C)(C)c1ccc(C2(C(=O)OCC(=O)[N-]C(=O)c3cccs3)CC2)cc1 ZINC001317861746 1054282418 /nfs/dbraw/zinc/28/24/18/1054282418.db2.gz MAUBMWABQCCYPM-UHFFFAOYSA-N -1 3 385.485 3.577 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NCC3CCC3)cc2)cc1 ZINC001318195454 1054490128 /nfs/dbraw/zinc/49/01/28/1054490128.db2.gz MMCHYPBVTCKGEF-UHFFFAOYSA-N -1 3 389.546 3.882 20 0 GHADHM Cc1ccc(Oc2ccccc2CNC(=O)CCc2c(C)nc[n-]c2=O)cc1 ZINC001318375603 1054597722 /nfs/dbraw/zinc/59/77/22/1054597722.db2.gz PYFBCAHLMGHICV-UHFFFAOYSA-N -1 3 377.444 3.840 20 0 GHADHM CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC1CC1 ZINC001345200440 1054938096 /nfs/dbraw/zinc/93/80/96/1054938096.db2.gz DCFZCHAMVIFLOZ-MRXNPFEDSA-N -1 3 396.520 3.734 20 0 GHADHM Cc1cccc(NC[C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC001319390381 1055221379 /nfs/dbraw/zinc/22/13/79/1055221379.db2.gz YWUQSTSQAIQBFL-OAHLLOKOSA-N -1 3 389.459 3.862 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001345728093 1055226981 /nfs/dbraw/zinc/22/69/81/1055226981.db2.gz OLZNZVOGSDJQJR-HSZRJFAPSA-N -1 3 380.488 3.659 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC(C)(C)C1 ZINC001319553376 1055320271 /nfs/dbraw/zinc/32/02/71/1055320271.db2.gz PYXPXBUELKXHEC-ZIAGYGMSSA-N -1 3 384.517 3.666 20 0 GHADHM C[C@H]1C[C@H](CC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC(C)(C)C1 ZINC001319553374 1055321562 /nfs/dbraw/zinc/32/15/62/1055321562.db2.gz PYXPXBUELKXHEC-UONOGXRCSA-N -1 3 384.517 3.666 20 0 GHADHM COc1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(F)(F)F)ccc1F ZINC001200582222 1056391037 /nfs/dbraw/zinc/39/10/37/1056391037.db2.gz GEJGPVMAEOVRKQ-CQSZACIVSA-N -1 3 381.322 3.555 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(C(F)(F)F)nc1Cl ZINC000848140271 1056747823 /nfs/dbraw/zinc/74/78/23/1056747823.db2.gz NZJFJABSRLQPJP-SSDOTTSWSA-N -1 3 386.761 3.618 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC001322698594 1056805219 /nfs/dbraw/zinc/80/52/19/1056805219.db2.gz MSYHOWWEQKIPPB-UHFFFAOYSA-N -1 3 379.382 3.633 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(C)cc1 ZINC001354715038 1056908633 /nfs/dbraw/zinc/90/86/33/1056908633.db2.gz ZGCHZLIPVGYAHV-HNNXBMFYSA-N -1 3 383.341 3.786 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1cccc(C)c1F ZINC001200782241 1056940779 /nfs/dbraw/zinc/94/07/79/1056940779.db2.gz FOEJRWYAMBGMGN-UHFFFAOYSA-N -1 3 392.496 3.582 20 0 GHADHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001323405421 1056965317 /nfs/dbraw/zinc/96/53/17/1056965317.db2.gz OQXYVFIOMFCEBB-UHFFFAOYSA-N -1 3 381.668 3.529 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC001355143418 1057062226 /nfs/dbraw/zinc/06/22/26/1057062226.db2.gz CIGZPDQTOZDBRL-UHFFFAOYSA-N -1 3 387.789 3.981 20 0 GHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c(F)c1 ZINC000848456320 1057098871 /nfs/dbraw/zinc/09/88/71/1057098871.db2.gz DUCLSGQHQCJOCP-UHFFFAOYSA-N -1 3 393.436 3.722 20 0 GHADHM CCOC(=O)C(=Cc1cc2n(n1)CCCC2)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000848638336 1057218593 /nfs/dbraw/zinc/21/85/93/1057218593.db2.gz GGYKHJGFLWSIGO-GDNBJRDFSA-N -1 3 398.488 3.650 20 0 GHADHM [O-]c1cccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c1Br ZINC001325013516 1057263484 /nfs/dbraw/zinc/26/34/84/1057263484.db2.gz QHODQHSDCKHUAN-HIFRSBDPSA-N -1 3 398.322 3.541 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC2(C)C)ccc1F ZINC001355843814 1057290867 /nfs/dbraw/zinc/29/08/67/1057290867.db2.gz JRXYRHWGHGCGFM-INIZCTEOSA-N -1 3 384.517 3.601 20 0 GHADHM CC(C)c1nc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])cs1 ZINC001325310977 1057310183 /nfs/dbraw/zinc/31/01/83/1057310183.db2.gz KPXWPELFRHXROR-AWEZNQCLSA-N -1 3 383.311 3.815 20 0 GHADHM Cc1cc(CN2CCCN(c3c(C(=O)[O-])cnc4c(C)cc(C)cc43)CC2)no1 ZINC001326692328 1057536176 /nfs/dbraw/zinc/53/61/76/1057536176.db2.gz HKEKRVKSRDNRLJ-UHFFFAOYSA-N -1 3 394.475 3.559 20 0 GHADHM COc1ccc(C[C@H](C)N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001326720883 1057541634 /nfs/dbraw/zinc/54/16/34/1057541634.db2.gz OLYOHYQZFJRUBP-LBPRGKRZSA-N -1 3 386.398 3.518 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)cc1 ZINC001356631936 1057581396 /nfs/dbraw/zinc/58/13/96/1057581396.db2.gz PYXHEGYAADHEQJ-YXJHDRRASA-N -1 3 395.931 3.618 20 0 GHADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCc2c(C)nc[n-]c2=O)CC1 ZINC001337636617 1058196457 /nfs/dbraw/zinc/19/64/57/1058196457.db2.gz ALUTWAZOYZUDSF-UHFFFAOYSA-N -1 3 378.476 3.619 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccnc(-c4ccco4)c3)nc21 ZINC001439997062 1058379511 /nfs/dbraw/zinc/37/95/11/1058379511.db2.gz JXKVLMLWZOUSCD-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM Cc1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1F ZINC001440483107 1058523436 /nfs/dbraw/zinc/52/34/36/1058523436.db2.gz ZGCFCPSTDOPDOH-UHFFFAOYSA-N -1 3 375.197 3.990 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1csc([C@H]2CCCO2)n1 ZINC001338360187 1058529624 /nfs/dbraw/zinc/52/96/24/1058529624.db2.gz SASGILVAAMIVBY-GFCCVEGCSA-N -1 3 375.841 3.685 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC001338495224 1058597380 /nfs/dbraw/zinc/59/73/80/1058597380.db2.gz RMYGWSMAAHHKMH-UHFFFAOYSA-N -1 3 380.429 3.932 20 0 GHADHM COc1ccc(C2(CNC(=O)c3cc(F)cc4n[n-]nc43)CCCCC2)cc1 ZINC001442130608 1058924231 /nfs/dbraw/zinc/92/42/31/1058924231.db2.gz LWQYYXPMIYTKNU-UHFFFAOYSA-N -1 3 382.439 3.738 20 0 GHADHM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc2sccc2c([O-])c1 ZINC001442341437 1058950410 /nfs/dbraw/zinc/95/04/10/1058950410.db2.gz XONSHZGDGKVPFL-UHFFFAOYSA-N -1 3 375.833 3.962 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3nc(C4CC4)sc3c2)c([O-])c1 ZINC001442398387 1058956902 /nfs/dbraw/zinc/95/69/02/1058956902.db2.gz SVQAIWILVLGGDM-UHFFFAOYSA-N -1 3 395.484 3.946 20 0 GHADHM CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(C)cccc3[O-])n2)cc1 ZINC001443494829 1059138786 /nfs/dbraw/zinc/13/87/86/1059138786.db2.gz UVRKSNOYZBZIAF-UHFFFAOYSA-N -1 3 381.457 3.713 20 0 GHADHM CCc1nnc(-c2cccc(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)c2)o1 ZINC001444805965 1059384361 /nfs/dbraw/zinc/38/43/61/1059384361.db2.gz BKYBREMYOUTKMD-UHFFFAOYSA-N -1 3 396.353 3.671 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001340018369 1059623630 /nfs/dbraw/zinc/62/36/30/1059623630.db2.gz GNAMRYQLTVDRKC-RDTXWAMCSA-N -1 3 378.480 3.542 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)[N-]C(=O)C(F)(F)C3(O)CCCCC3)n2)ccc1F ZINC001446103221 1059701610 /nfs/dbraw/zinc/70/16/10/1059701610.db2.gz DCTMKXXAHNRMJR-GFCCVEGCSA-N -1 3 397.397 3.692 20 0 GHADHM CCc1ccc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001446702838 1059836284 /nfs/dbraw/zinc/83/62/84/1059836284.db2.gz VVCLFRFHVVYNJY-OAQYLSRUSA-N -1 3 376.497 3.722 20 0 GHADHM O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1ccc(Cl)cc1[O-] ZINC001447287413 1059943925 /nfs/dbraw/zinc/94/39/25/1059943925.db2.gz LEGPDUJBQOGLGE-LLVKDONJSA-N -1 3 395.640 3.873 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(I)cc2[O-])c(C)o1 ZINC001447626255 1059989622 /nfs/dbraw/zinc/98/96/22/1059989622.db2.gz LKSKKXPFWQYUGF-UHFFFAOYSA-N -1 3 389.214 3.872 20 0 GHADHM COc1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc(-n2cccn2)c1 ZINC001448973249 1060308432 /nfs/dbraw/zinc/30/84/32/1060308432.db2.gz OTPMAVXWMRECCK-UHFFFAOYSA-N -1 3 394.818 3.628 20 0 GHADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001449705983 1060449355 /nfs/dbraw/zinc/44/93/55/1060449355.db2.gz ZNMOQKVWGNZCAH-CHWSQXEVSA-N -1 3 380.469 3.703 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)c1[O-] ZINC001450610776 1060633832 /nfs/dbraw/zinc/63/38/32/1060633832.db2.gz SQDLWVODIYSHAS-UHFFFAOYSA-N -1 3 380.278 3.713 20 0 GHADHM Cc1ccc([O-])c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001451731911 1060824290 /nfs/dbraw/zinc/82/42/90/1060824290.db2.gz SBAKDTZWUNLKIM-MRXNPFEDSA-N -1 3 382.460 3.797 20 0 GHADHM Cc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)c([O-])c1 ZINC001451856114 1060847294 /nfs/dbraw/zinc/84/72/94/1060847294.db2.gz KOYGIFRFWJKMKJ-PMPSAXMXSA-N -1 3 376.497 3.712 20 0 GHADHM C[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C(=O)OC(C)(C)C ZINC001451873921 1060855709 /nfs/dbraw/zinc/85/57/09/1060855709.db2.gz BUWJFZXKJDYMQQ-AUUYWEPGSA-N -1 3 379.472 3.823 20 0 GHADHM CC1(C)c2ccccc2CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001452047619 1060887975 /nfs/dbraw/zinc/88/79/75/1060887975.db2.gz GOGBPPWUKURJQM-UHFFFAOYSA-N -1 3 392.908 3.645 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC001452943921 1061047160 /nfs/dbraw/zinc/04/71/60/1061047160.db2.gz OMYVRFHPPBVQFP-QGZVFWFLSA-N -1 3 382.435 3.893 20 0 GHADHM Cc1cc2c(cc1NC(=O)c1cc([O-])cc(Br)c1)sc(=O)n2C ZINC001453148191 1061083335 /nfs/dbraw/zinc/08/33/35/1061083335.db2.gz UIJRKYBPCNJPDT-UHFFFAOYSA-N -1 3 393.262 3.629 20 0 GHADHM CCC(C)(C)[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001453323009 1061109439 /nfs/dbraw/zinc/10/94/39/1061109439.db2.gz VNGLRRSBTAFWSU-LLVKDONJSA-N -1 3 395.352 3.603 20 0 GHADHM COC(=O)c1c[nH]c2cc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccc12 ZINC001453606945 1061166324 /nfs/dbraw/zinc/16/63/24/1061166324.db2.gz KUVRKWGXMBMSID-UHFFFAOYSA-N -1 3 395.802 3.702 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1csc(-c3ccc(C(C)C)cc3)n1)C2 ZINC001454286498 1061698913 /nfs/dbraw/zinc/69/89/13/1061698913.db2.gz OBZDLVVSYRPTII-UHFFFAOYSA-N -1 3 380.473 3.894 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)c(Cl)c1F ZINC001454407598 1061766084 /nfs/dbraw/zinc/76/60/84/1061766084.db2.gz LXUUSIDQHPXCRN-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)c(Cl)c1F ZINC001454407598 1061766108 /nfs/dbraw/zinc/76/61/08/1061766108.db2.gz LXUUSIDQHPXCRN-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001454408530 1061767963 /nfs/dbraw/zinc/76/79/63/1061767963.db2.gz OJTIEOPCSVMOOW-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001454408530 1061767970 /nfs/dbraw/zinc/76/79/70/1061767970.db2.gz OJTIEOPCSVMOOW-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc4c3OC(C)(C)CC4=O)c[n-]c12 ZINC001454526992 1061816336 /nfs/dbraw/zinc/81/63/36/1061816336.db2.gz XQRKEVRLFTXMHX-UHFFFAOYSA-N -1 3 394.402 3.972 20 0 GHADHM CCn1c(C)cc(C(=O)Nc2[n-]nc(C)c2C(=O)Nc2ccccc2OC)c1C ZINC001454631445 1061892461 /nfs/dbraw/zinc/89/24/61/1061892461.db2.gz RHLVWXLXFZRYNZ-UHFFFAOYSA-N -1 3 395.463 3.670 20 0 GHADHM O=C(NC[C@@H]1CC2(CO1)CCOCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001454865321 1061947665 /nfs/dbraw/zinc/94/76/65/1061947665.db2.gz FCJRJOCUPOMVCS-SFHVURJKSA-N -1 3 383.444 3.500 20 0 GHADHM O=C(NC[C@@H](CO)c1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001545718517 1061968211 /nfs/dbraw/zinc/96/82/11/1061968211.db2.gz KAKUFYMRTPVNKK-NRFANRHFSA-N -1 3 375.468 3.683 20 0 GHADHM CN1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1c1ccc(F)cc1 ZINC001545813510 1062017715 /nfs/dbraw/zinc/01/77/15/1062017715.db2.gz IXFUMCPDKVJFFS-VQTJNVASSA-N -1 3 380.419 3.565 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC1(C2CC2)CCC1 ZINC001455668112 1062253993 /nfs/dbraw/zinc/25/39/93/1062253993.db2.gz RUPQYEOAVIKVFK-HXUWFJFHSA-N -1 3 378.472 3.702 20 0 GHADHM CCN(C(=O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC001455837023 1062320277 /nfs/dbraw/zinc/32/02/77/1062320277.db2.gz WBRMNJRTMOPLAF-UHFFFAOYSA-N -1 3 390.439 3.967 20 0 GHADHM COc1ccc(Sc2nsc([N-]C(=O)c3nncc4ccccc43)n2)cc1 ZINC001435432097 1062600464 /nfs/dbraw/zinc/60/04/64/1062600464.db2.gz WHFMSFKWMQUYRC-UHFFFAOYSA-N -1 3 395.469 3.893 20 0 GHADHM O=C(NC/C=C\C1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001347738342 1062612601 /nfs/dbraw/zinc/61/26/01/1062612601.db2.gz KDUIHQJSLNTDQM-UPHRSURJSA-N -1 3 381.657 3.640 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456382889 1062648894 /nfs/dbraw/zinc/64/88/94/1062648894.db2.gz JJOLSMFWMULKDL-MRVPVSSYSA-N -1 3 376.766 3.512 20 0 GHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456384790 1062650374 /nfs/dbraw/zinc/65/03/74/1062650374.db2.gz OHACOOIAKSOUBZ-MRVPVSSYSA-N -1 3 399.373 3.886 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001456475207 1062704148 /nfs/dbraw/zinc/70/41/48/1062704148.db2.gz IITKZBDXUUCNHQ-AOMKIAJQSA-N -1 3 388.508 3.864 20 0 GHADHM COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)c([O-])c(OC)c1 ZINC001456749482 1062840460 /nfs/dbraw/zinc/84/04/60/1062840460.db2.gz VHEHUMPPLKOHDT-UHFFFAOYSA-N -1 3 387.407 3.777 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1CCSc2ccccc21 ZINC001456801244 1062866766 /nfs/dbraw/zinc/86/67/66/1062866766.db2.gz PPXKICRZZUGEIS-MRXNPFEDSA-N -1 3 393.468 3.985 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@@H]1CCSc2ccccc21 ZINC001456801244 1062866786 /nfs/dbraw/zinc/86/67/86/1062866786.db2.gz PPXKICRZZUGEIS-MRXNPFEDSA-N -1 3 393.468 3.985 20 0 GHADHM CCc1ccc(C(=O)NCc2csc(=NC(=O)OC(C)(C)C)[nH]2)c([O-])c1 ZINC001456905379 1062913972 /nfs/dbraw/zinc/91/39/72/1062913972.db2.gz JPYGGBIHQUBAIP-UHFFFAOYSA-N -1 3 377.466 3.688 20 0 GHADHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(F)ccc1Br ZINC001456937708 1062924679 /nfs/dbraw/zinc/92/46/79/1062924679.db2.gz RTGZJBGIZBIFIP-UMSPYCQHSA-N -1 3 394.244 3.540 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc3ccccc32)ccc1F ZINC001348392359 1063044020 /nfs/dbraw/zinc/04/40/20/1063044020.db2.gz BWDDYVODESZMGP-UHFFFAOYSA-N -1 3 387.432 3.885 20 0 GHADHM O=C([N-]c1nc(-c2ccccc2)no1)c1ccc2cncc(Br)c2n1 ZINC001457575033 1063258871 /nfs/dbraw/zinc/25/88/71/1063258871.db2.gz AZGJEJZBZSVIMY-UHFFFAOYSA-N -1 3 396.204 3.695 20 0 GHADHM Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(Oc2ccccc2)c1 ZINC001457696430 1063316491 /nfs/dbraw/zinc/31/64/91/1063316491.db2.gz WZMREECTCHXSBG-UHFFFAOYSA-N -1 3 386.407 3.601 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC001348829122 1063341273 /nfs/dbraw/zinc/34/12/73/1063341273.db2.gz JECJZDACKXKFEU-UHFFFAOYSA-N -1 3 394.471 3.586 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(SC)ccc3Cl)c2c1=O ZINC001457887180 1063418432 /nfs/dbraw/zinc/41/84/32/1063418432.db2.gz LVFBFIJFLOCIKZ-UHFFFAOYSA-N -1 3 376.869 3.681 20 0 GHADHM COC(=O)c1cnc([N-]C(=O)c2cc(-c3cccc(Cl)c3F)no2)s1 ZINC001349339920 1063663077 /nfs/dbraw/zinc/66/30/77/1063663077.db2.gz GCLCIWMRDPFNID-UHFFFAOYSA-N -1 3 381.772 3.630 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)C1CCC2(CC2)CC1)C(F)(F)F ZINC001436909158 1063703126 /nfs/dbraw/zinc/70/31/26/1063703126.db2.gz GDSQXVZMSLCFGM-OAHLLOKOSA-N -1 3 380.410 3.593 20 0 GHADHM CCOc1ccc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC001349580851 1063807083 /nfs/dbraw/zinc/80/70/83/1063807083.db2.gz HBUDBICOALMHLH-UHFFFAOYSA-N -1 3 393.867 3.956 20 0 GHADHM CCOc1cccc(CCNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001545907078 1063866122 /nfs/dbraw/zinc/86/61/22/1063866122.db2.gz YXHXHHFPSGKXBR-UHFFFAOYSA-N -1 3 391.493 3.861 20 0 GHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cnn(-c2ccccc2)c1C(F)F ZINC001349848768 1063926476 /nfs/dbraw/zinc/92/64/76/1063926476.db2.gz KFSMLCOZEJEJLD-UHFFFAOYSA-N -1 3 389.309 3.933 20 0 GHADHM CC[C@H](CC1CCCC1)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001349909242 1063940041 /nfs/dbraw/zinc/94/00/41/1063940041.db2.gz SZPIXFDKRMNPCS-NFBKMPQASA-N -1 3 386.536 3.829 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438033660 1063970435 /nfs/dbraw/zinc/97/04/35/1063970435.db2.gz ORCDZEJRBHPRIE-VXGBXAGGSA-N -1 3 381.885 3.661 20 0 GHADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438033660 1063970438 /nfs/dbraw/zinc/97/04/38/1063970438.db2.gz ORCDZEJRBHPRIE-VXGBXAGGSA-N -1 3 381.885 3.661 20 0 GHADHM CC1(C)CC(=O)c2cnc(SCc3noc(-c4ccccc4[O-])n3)nc2C1 ZINC001459173746 1064013662 /nfs/dbraw/zinc/01/36/62/1064013662.db2.gz UDZOXOBLSPCLON-UHFFFAOYSA-N -1 3 382.445 3.680 20 0 GHADHM O=c1[n-]c(SCC[C@H](O)c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC001459180900 1064016213 /nfs/dbraw/zinc/01/62/13/1064016213.db2.gz QBZQTEIHZDSJSD-SFHVURJKSA-N -1 3 392.484 3.796 20 0 GHADHM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001351073484 1064257001 /nfs/dbraw/zinc/25/70/01/1064257001.db2.gz DKRVEQTWBDLBLJ-CQSZACIVSA-N -1 3 387.461 3.960 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC001463355608 1064278736 /nfs/dbraw/zinc/27/87/36/1064278736.db2.gz GHSMCOBURPXXSO-NXEZZACHSA-N -1 3 378.441 3.941 20 0 GHADHM CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3c[n-]oc3=O)n2CC2CC2)s1 ZINC001351222236 1064312331 /nfs/dbraw/zinc/31/23/31/1064312331.db2.gz XVIMLBBTTWHCCP-LLVKDONJSA-N -1 3 388.497 3.573 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1cccc(C)c1C ZINC001463584170 1064480201 /nfs/dbraw/zinc/48/02/01/1064480201.db2.gz VPXMMKCFRDJGIH-SFHVURJKSA-N -1 3 381.538 3.797 20 0 GHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)[C@H]1C ZINC001463627543 1064511581 /nfs/dbraw/zinc/51/15/81/1064511581.db2.gz QDAFTLYSSCJCJB-GRYCIOLGSA-N -1 3 378.307 3.939 20 0 GHADHM O=S(=O)([N-]CCCc1ccccc1F)c1csc(-c2ccccc2)n1 ZINC001463632193 1064514494 /nfs/dbraw/zinc/51/44/94/1064514494.db2.gz MAYILMALDODJKE-UHFFFAOYSA-N -1 3 376.478 3.860 20 0 GHADHM COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC001463632229 1064514799 /nfs/dbraw/zinc/51/47/99/1064514799.db2.gz JGMKNGXOSYWZJN-UHFFFAOYSA-N -1 3 386.429 3.650 20 0 GHADHM O=C(NCc1ccc(OC(F)F)cc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001463724153 1064572499 /nfs/dbraw/zinc/57/24/99/1064572499.db2.gz SUEMPDUNKJUKLQ-UHFFFAOYSA-N -1 3 378.762 3.713 20 0 GHADHM NC(=O)Nc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC001463868475 1064681715 /nfs/dbraw/zinc/68/17/15/1064681715.db2.gz DXHDYMWJCKGXAS-UHFFFAOYSA-N -1 3 389.455 3.598 20 0 GHADHM CSc1ccccc1[N-]C(=O)c1nscc1I ZINC001463895150 1064701274 /nfs/dbraw/zinc/70/12/74/1064701274.db2.gz IHGURHPUAJJGCI-UHFFFAOYSA-N -1 3 376.244 3.722 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1ccccc1F)c1c(Cl)cccc1Cl ZINC001463945356 1064733054 /nfs/dbraw/zinc/73/30/54/1064733054.db2.gz FTGDRZFAXRTFLQ-CQSZACIVSA-N -1 3 378.252 3.535 20 0 GHADHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001464038585 1064782648 /nfs/dbraw/zinc/78/26/48/1064782648.db2.gz DGIUPHSHYYGGCQ-ZUZCIYMTSA-N -1 3 384.270 3.595 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)c2ccc(F)cc2)sc1Cl ZINC001464078459 1064803772 /nfs/dbraw/zinc/80/37/72/1064803772.db2.gz DGVGMLGPJGMDEN-CYBMUJFWSA-N -1 3 385.873 3.640 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1F ZINC001464192065 1064900509 /nfs/dbraw/zinc/90/05/09/1064900509.db2.gz PLPDIJFVIRTGJY-CQSZACIVSA-N -1 3 396.242 3.674 20 0 GHADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001464435257 1065008188 /nfs/dbraw/zinc/00/81/88/1065008188.db2.gz HIKKGYPSJGVWQF-ZDUSSCGKSA-N -1 3 386.398 3.620 20 0 GHADHM O=C(NCCc1ccccc1C(F)(F)F)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001464472963 1065031983 /nfs/dbraw/zinc/03/19/83/1065031983.db2.gz QHJHRGWSYLUOCB-UHFFFAOYSA-N -1 3 396.315 3.798 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)nc(C2CC2)[n-]1 ZINC001200039405 1065051944 /nfs/dbraw/zinc/05/19/44/1065051944.db2.gz OYSVXKMKSUQLTD-UHFFFAOYSA-N -1 3 375.837 3.667 20 0 GHADHM O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc([O-])c(F)c1 ZINC001464842343 1065239159 /nfs/dbraw/zinc/23/91/59/1065239159.db2.gz FHMZKGRCXQFRFI-QGZVFWFLSA-N -1 3 376.859 3.969 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465225202 1065476251 /nfs/dbraw/zinc/47/62/51/1065476251.db2.gz OHRRRGNHZFAVJO-JTQLQIEISA-N -1 3 398.389 3.609 20 0 GHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465225203 1065476776 /nfs/dbraw/zinc/47/67/76/1065476776.db2.gz OHRRRGNHZFAVJO-SNVBAGLBSA-N -1 3 398.389 3.609 20 0 GHADHM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC001465359517 1065566330 /nfs/dbraw/zinc/56/63/30/1065566330.db2.gz RKWQFLPNFWPYBZ-SJLPKXTDSA-N -1 3 376.250 3.623 20 0 GHADHM COc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1-c1ccccc1 ZINC001300180773 1065583971 /nfs/dbraw/zinc/58/39/71/1065583971.db2.gz ZSVRIGKYDLLGQT-UHFFFAOYSA-N -1 3 377.444 3.831 20 0 GHADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001300202089 1065673659 /nfs/dbraw/zinc/67/36/59/1065673659.db2.gz VXUUYFAFFISQKE-UHFFFAOYSA-N -1 3 393.230 3.691 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001465564873 1065719077 /nfs/dbraw/zinc/71/90/77/1065719077.db2.gz UOPWZTDOLNWXLP-LLVKDONJSA-N -1 3 382.247 3.784 20 0 GHADHM CN(C)[C@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)c1ccc(Cl)cc1 ZINC001465582973 1065729316 /nfs/dbraw/zinc/72/93/16/1065729316.db2.gz HDAHBNLFDIAACC-MRXNPFEDSA-N -1 3 387.842 3.766 20 0 GHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847609273 1065743128 /nfs/dbraw/zinc/74/31/28/1065743128.db2.gz JJNDAAVAGUAJGI-UHFFFAOYSA-N -1 3 384.436 3.967 20 0 GHADHM CO[C@@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1Cl ZINC001465815622 1065875172 /nfs/dbraw/zinc/87/51/72/1065875172.db2.gz SFSAOZAKWQQWHN-INIZCTEOSA-N -1 3 391.254 3.952 20 0 GHADHM Cc1cccc(F)c1-n1nc(C(=O)NCc2ccc([O-])c(F)c2)c2c1CCC2 ZINC001465956472 1065937124 /nfs/dbraw/zinc/93/71/24/1065937124.db2.gz SHEPSSYMZBXQTB-UHFFFAOYSA-N -1 3 383.398 3.583 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)ccc1F ZINC001200375417 1066016989 /nfs/dbraw/zinc/01/69/89/1066016989.db2.gz MTAIZAJUUHUNJR-UHFFFAOYSA-N -1 3 384.738 3.702 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c(Br)c1 ZINC001466512206 1066176432 /nfs/dbraw/zinc/17/64/32/1066176432.db2.gz QDYZKVGTGHUSQQ-JTQLQIEISA-N -1 3 382.229 3.722 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)[n-]n1 ZINC001466590131 1066201455 /nfs/dbraw/zinc/20/14/55/1066201455.db2.gz KKQZSIHAJVGQLS-UHFFFAOYSA-N -1 3 388.424 3.718 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)n[n-]1 ZINC001466590131 1066201463 /nfs/dbraw/zinc/20/14/63/1066201463.db2.gz KKQZSIHAJVGQLS-UHFFFAOYSA-N -1 3 388.424 3.718 20 0 GHADHM Cc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2[O-])c1 ZINC001466817564 1066334583 /nfs/dbraw/zinc/33/45/83/1066334583.db2.gz IPVAWYAXKZGDSZ-UHFFFAOYSA-N -1 3 397.212 3.631 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@@H]1CCc2cc(F)ccc21 ZINC001466819021 1066335561 /nfs/dbraw/zinc/33/55/61/1066335561.db2.gz OCYYMDRMRXDDDN-CYBMUJFWSA-N -1 3 397.187 3.804 20 0 GHADHM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466894532 1066374715 /nfs/dbraw/zinc/37/47/15/1066374715.db2.gz QSFGYDHAEVBSLS-LJQANCHMSA-N -1 3 381.472 3.929 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)s1 ZINC001466903108 1066379146 /nfs/dbraw/zinc/37/91/46/1066379146.db2.gz WIZLFEWAPQFMQN-GFCCVEGCSA-N -1 3 393.440 3.883 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(Cl)cc3Cl)nc21 ZINC001357294818 1067035248 /nfs/dbraw/zinc/03/52/48/1067035248.db2.gz FULMQPJEOBTRJS-UHFFFAOYSA-N -1 3 378.215 3.838 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc3ccc(Cl)cc3n2)c([O-])c1 ZINC001467446307 1067301218 /nfs/dbraw/zinc/30/12/18/1067301218.db2.gz XVGDQADULWGCKD-UHFFFAOYSA-N -1 3 383.835 3.661 20 0 GHADHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC001467508077 1067334348 /nfs/dbraw/zinc/33/43/48/1067334348.db2.gz FWSAISXRTFDAGE-KRWDZBQOSA-N -1 3 396.495 3.530 20 0 GHADHM CCC[C@@H](CC)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001477700952 1078532024 /nfs/dbraw/zinc/53/20/24/1078532024.db2.gz KZCQOSIPHICACB-UONOGXRCSA-N -1 3 385.430 3.947 20 0 GHADHM CSc1cc2c(cc1[N-]C(=O)c1ncoc1CCC(F)(F)F)OCCO2 ZINC001358362485 1067500537 /nfs/dbraw/zinc/50/05/37/1067500537.db2.gz IMOLYMPIVCSEJQ-UHFFFAOYSA-N -1 3 388.367 3.915 20 0 GHADHM CC[C@H](CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccc(C)cc1 ZINC001467875093 1067510936 /nfs/dbraw/zinc/51/09/36/1067510936.db2.gz SLUCZVKHWAFIIR-BRWVUGGUSA-N -1 3 383.492 3.759 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(C3CCC3)cc2)ccc1F ZINC001358459490 1067532519 /nfs/dbraw/zinc/53/25/19/1067532519.db2.gz AJDCVBGKYYFREZ-UHFFFAOYSA-N -1 3 391.464 3.999 20 0 GHADHM CCC[C@@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)C(C)(C)C ZINC001468164034 1067616127 /nfs/dbraw/zinc/61/61/27/1067616127.db2.gz RXGVOKLQSJCJFN-OAHLLOKOSA-N -1 3 397.475 3.937 20 0 GHADHM COc1cc(OC)cc(-c2cccc(NC(=O)c3[n-]cnc3C(F)(F)F)n2)c1 ZINC001468515207 1067758051 /nfs/dbraw/zinc/75/80/51/1067758051.db2.gz MLTYZKZCAUEBPZ-UHFFFAOYSA-N -1 3 392.337 3.760 20 0 GHADHM COc1cc(OC)cc(-c2cccc(NC(=O)c3nc[n-]c3C(F)(F)F)n2)c1 ZINC001468515207 1067758058 /nfs/dbraw/zinc/75/80/58/1067758058.db2.gz MLTYZKZCAUEBPZ-UHFFFAOYSA-N -1 3 392.337 3.760 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C1(c2cccc(Cl)c2)CCCC1 ZINC001468753236 1067860969 /nfs/dbraw/zinc/86/09/69/1067860969.db2.gz PVYAGGGIFLUIOR-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C1(c2cccc(Cl)c2)CCCC1 ZINC001468753236 1067860973 /nfs/dbraw/zinc/86/09/73/1067860973.db2.gz PVYAGGGIFLUIOR-UHFFFAOYSA-N -1 3 381.867 3.894 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cc4nnn[n-]4)c3)ccc2c1 ZINC001468756389 1067862038 /nfs/dbraw/zinc/86/20/38/1067862038.db2.gz GFECJFBROSXJFT-AWEZNQCLSA-N -1 3 387.443 3.695 20 0 GHADHM COc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cc4nn[n-]n4)c3)ccc2c1 ZINC001468756389 1067862044 /nfs/dbraw/zinc/86/20/44/1067862044.db2.gz GFECJFBROSXJFT-AWEZNQCLSA-N -1 3 387.443 3.695 20 0 GHADHM O=C(NC[C@H](CO)c1ccc(F)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001469013539 1067952248 /nfs/dbraw/zinc/95/22/48/1067952248.db2.gz SQEUPFJLUVKPBJ-MRXNPFEDSA-N -1 3 381.403 3.830 20 0 GHADHM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001469422611 1068156803 /nfs/dbraw/zinc/15/68/03/1068156803.db2.gz NCCKHHNFZJPYFW-SWLSCSKDSA-N -1 3 391.493 3.650 20 0 GHADHM COc1ccccc1[C@@H]1CSCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001477988396 1078658910 /nfs/dbraw/zinc/65/89/10/1078658910.db2.gz CZUHDSGOAHUUOX-KRWDZBQOSA-N -1 3 390.480 3.930 20 0 GHADHM C[C@](CO)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc(O)cc1 ZINC001469483454 1068185068 /nfs/dbraw/zinc/18/50/68/1068185068.db2.gz IJTLKCQOFARFGC-JOCHJYFZSA-N -1 3 379.412 3.528 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001469872664 1068440438 /nfs/dbraw/zinc/44/04/38/1068440438.db2.gz TWPPLEPZMFTAMH-IAQYHMDHSA-N -1 3 390.867 3.516 20 0 GHADHM CCc1ncc(Cl)c(C(=O)[N-]c2c3ccc(C)nc3sc2C(=O)OC)n1 ZINC001460268724 1068897268 /nfs/dbraw/zinc/89/72/68/1068897268.db2.gz XKUDYBNUHQSPGO-UHFFFAOYSA-N -1 3 390.852 3.649 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)c(F)cc1Br ZINC001470790170 1072742133 /nfs/dbraw/zinc/74/21/33/1072742133.db2.gz ZDNPGSKYFSXSNI-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)c(F)cc1Br ZINC001470790170 1072742136 /nfs/dbraw/zinc/74/21/36/1072742136.db2.gz ZDNPGSKYFSXSNI-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC001470794751 1072743444 /nfs/dbraw/zinc/74/34/44/1072743444.db2.gz JAUPSFUEYAESFG-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC001470794751 1072743456 /nfs/dbraw/zinc/74/34/56/1072743456.db2.gz JAUPSFUEYAESFG-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc21)C(F)(F)F ZINC001478796828 1078989147 /nfs/dbraw/zinc/98/91/47/1078989147.db2.gz REYMVFDJQKWHLJ-LUYZLQTOSA-N -1 3 395.425 3.557 20 0 GHADHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1cc(CC(C)C)c[nH]1 ZINC001471033833 1072894459 /nfs/dbraw/zinc/89/44/59/1072894459.db2.gz JGQHPUPOAWHVAA-UHFFFAOYSA-N -1 3 395.463 3.758 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(c2ccccc2)C1 ZINC001471061342 1072909366 /nfs/dbraw/zinc/90/93/66/1072909366.db2.gz SRWFTJOHTUSRDB-UHFFFAOYSA-N -1 3 383.245 3.530 20 0 GHADHM O=C(N[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471726906 1073197702 /nfs/dbraw/zinc/19/77/02/1073197702.db2.gz BBJIDFDVOJTFQP-LBEPJEHYSA-N -1 3 375.424 3.965 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2nc3c(s2)CCCC3)s1 ZINC001471751044 1073207389 /nfs/dbraw/zinc/20/73/89/1073207389.db2.gz MTJAYCNSWZXCQE-UHFFFAOYSA-N -1 3 394.522 3.755 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472091409 1073331665 /nfs/dbraw/zinc/33/16/65/1073331665.db2.gz WFSYWYGESPXCBC-UHFFFAOYSA-N -1 3 394.431 3.979 20 0 GHADHM COc1ccccc1Nc1ccccc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472091409 1073331674 /nfs/dbraw/zinc/33/16/74/1073331674.db2.gz WFSYWYGESPXCBC-UHFFFAOYSA-N -1 3 394.431 3.979 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1n[nH]c2ccc(Cl)cc21 ZINC001472548566 1073545828 /nfs/dbraw/zinc/54/58/28/1073545828.db2.gz CBUHEFMULPJPKE-UHFFFAOYSA-N -1 3 389.202 3.613 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(SC(F)F)cc3)c2c1=O ZINC001472585227 1073561098 /nfs/dbraw/zinc/56/10/98/1073561098.db2.gz LJOSROIZZCWZCJ-UHFFFAOYSA-N -1 3 378.404 3.620 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)c([O-])c1 ZINC001472600635 1073569262 /nfs/dbraw/zinc/56/92/62/1073569262.db2.gz XUIIMWNFDFRKBT-GOSISDBHSA-N -1 3 398.503 3.584 20 0 GHADHM Cc1[nH]nc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1-c1ccccc1F ZINC001472608472 1073572481 /nfs/dbraw/zinc/57/24/81/1073572481.db2.gz FOESWUJZYOJKGZ-UHFFFAOYSA-N -1 3 398.344 3.896 20 0 GHADHM CCc1ccccc1CCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001473567316 1074019430 /nfs/dbraw/zinc/01/94/30/1074019430.db2.gz LAGIZRDLLJVDPR-SFHVURJKSA-N -1 3 376.422 3.901 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc([O-])c(F)c2F)C1=O ZINC001474542733 1074456414 /nfs/dbraw/zinc/45/64/14/1074456414.db2.gz UPIKJMGWLWUBJV-LRDDRELGSA-N -1 3 378.394 3.651 20 0 GHADHM COc1nc2ccccc2cc1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001474673824 1074509529 /nfs/dbraw/zinc/50/95/29/1074509529.db2.gz PTXNZSFCKMWJGG-UHFFFAOYSA-N -1 3 397.906 3.920 20 0 GHADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC001474766312 1074550160 /nfs/dbraw/zinc/55/01/60/1074550160.db2.gz MGQUKXIMDSHPQB-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)c1cc(F)c(Cl)cc1Cl ZINC001474776194 1074556123 /nfs/dbraw/zinc/55/61/23/1074556123.db2.gz XXZPGQZVYVHDML-SSDOTTSWSA-N -1 3 394.255 3.574 20 0 GHADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)N2CCCC2)cc1 ZINC001474896641 1074618312 /nfs/dbraw/zinc/61/83/12/1074618312.db2.gz GYAADDMAFPRVLG-LJQANCHMSA-N -1 3 394.487 3.697 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC(C)C ZINC001474972158 1074660956 /nfs/dbraw/zinc/66/09/56/1074660956.db2.gz YMYPBCTYXOVDBQ-ZDUSSCGKSA-N -1 3 382.309 3.638 20 0 GHADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC001474983276 1074666920 /nfs/dbraw/zinc/66/69/20/1074666920.db2.gz UYUPWLJFFCOICL-HNNXBMFYSA-N -1 3 388.514 3.864 20 0 GHADHM C[C@H]1CC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@H](C)C1 ZINC001474990414 1074672304 /nfs/dbraw/zinc/67/23/04/1074672304.db2.gz RXQSYYXRRUCNMN-RKDXNWHRSA-N -1 3 381.723 3.601 20 0 GHADHM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)cc1 ZINC001475045535 1074707030 /nfs/dbraw/zinc/70/70/30/1074707030.db2.gz IGIXWAQOPOTTHP-UHFFFAOYSA-N -1 3 383.460 3.792 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CCCC2)s1 ZINC001475149822 1074758434 /nfs/dbraw/zinc/75/84/34/1074758434.db2.gz CIIOAZCQQPJRTE-UHFFFAOYSA-N -1 3 393.530 3.616 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(F)cc1 ZINC001475238773 1074800160 /nfs/dbraw/zinc/80/01/60/1074800160.db2.gz XMBOXCRAFKNBKY-CYBMUJFWSA-N -1 3 376.247 3.857 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC001475267438 1074813184 /nfs/dbraw/zinc/81/31/84/1074813184.db2.gz COWPZHGPVHLANO-UHFFFAOYSA-N -1 3 397.319 3.846 20 0 GHADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001475313062 1074830985 /nfs/dbraw/zinc/83/09/85/1074830985.db2.gz VKCKBQPRPWRBRD-BDAKNGLRSA-N -1 3 386.233 3.792 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1C1CC1)c1ccc(Br)cc1F ZINC001475390501 1074858238 /nfs/dbraw/zinc/85/82/38/1074858238.db2.gz UXZAHHIZIGOTOS-AAEUAGOBSA-N -1 3 376.291 3.693 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H]1C1CC1)c1ccc(Br)cc1F ZINC001475390504 1074858659 /nfs/dbraw/zinc/85/86/59/1074858659.db2.gz UXZAHHIZIGOTOS-YPMHNXCESA-N -1 3 376.291 3.693 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCCCC1 ZINC001475418481 1074867755 /nfs/dbraw/zinc/86/77/55/1074867755.db2.gz MOWIZVMWLKQDDY-VIFPVBQESA-N -1 3 381.723 3.745 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(COc3cccc(F)c3)cc2)o1 ZINC001475432880 1074873881 /nfs/dbraw/zinc/87/38/81/1074873881.db2.gz WYVIPNHPZRSDIL-UHFFFAOYSA-N -1 3 375.421 3.785 20 0 GHADHM CC(C)(F)CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001475474254 1074887993 /nfs/dbraw/zinc/88/79/93/1074887993.db2.gz QEEJZFDMIIHBHS-UHFFFAOYSA-N -1 3 392.212 3.884 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]2CCCC[C@H]12)c1cc(Br)ccc1Cl ZINC001475630566 1074989175 /nfs/dbraw/zinc/98/91/75/1074989175.db2.gz KWQJQWOULYNJIY-XHVZSJERSA-N -1 3 378.719 3.960 20 0 GHADHM COc1ccc2ccccc2c1CC[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001475661119 1074995262 /nfs/dbraw/zinc/99/52/62/1074995262.db2.gz LSWXWEQWRZWTGZ-UHFFFAOYSA-N -1 3 390.892 3.726 20 0 GHADHM O=S(=O)([N-]C[C@H]1C[C@@H]1C1CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001475798616 1075024077 /nfs/dbraw/zinc/02/40/77/1075024077.db2.gz LWNBOPVWRUOHAQ-GHMZBOCLSA-N -1 3 382.835 3.858 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001475836920 1075031868 /nfs/dbraw/zinc/03/18/68/1075031868.db2.gz NHJHDRLCFICLIH-ZETCQYMHSA-N -1 3 392.179 3.777 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1cc(F)c(F)cc1Br ZINC001608539674 1126236622 /nfs/dbraw/zinc/23/66/22/1126236622.db2.gz DLHZTSXRRCJCEQ-OAHLLOKOSA-N -1 3 388.183 3.652 20 0 GHADHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000016093994 212105038 /nfs/dbraw/zinc/10/50/38/212105038.db2.gz KBQWEYXLBUNZMC-NTZNESFSSA-N -1 3 376.316 3.561 20 0 GHADHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)sc21 ZINC000471044178 564183895 /nfs/dbraw/zinc/18/38/95/564183895.db2.gz KQFOVXWBMNBQKX-UHFFFAOYSA-N -1 3 382.783 3.521 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)cc(Br)cc2Cl)n[n-]1 ZINC000539800680 564228851 /nfs/dbraw/zinc/22/88/51/564228851.db2.gz NPGFEIHFFSMKKP-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2c(C)cc(Br)cc2Cl)[n-]n1 ZINC000539800680 564228856 /nfs/dbraw/zinc/22/88/56/564228856.db2.gz NPGFEIHFFSMKKP-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CCOc1ccc(N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736644337 598827401 /nfs/dbraw/zinc/82/74/01/598827401.db2.gz IQSFXEDSTSODJV-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CCOc1ccc(N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736644337 598827403 /nfs/dbraw/zinc/82/74/03/598827403.db2.gz IQSFXEDSTSODJV-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2)n1 ZINC000737448873 598832964 /nfs/dbraw/zinc/83/29/64/598832964.db2.gz RMIJKHZRZOTSGN-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1csc(-c2cccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2)n1 ZINC000737448873 598832966 /nfs/dbraw/zinc/83/29/66/598832966.db2.gz RMIJKHZRZOTSGN-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@H](CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)n1cccc1 ZINC000735975644 598834744 /nfs/dbraw/zinc/83/47/44/598834744.db2.gz NMDGKUKVKPTCIL-CQSZACIVSA-N -1 3 392.488 3.664 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000736227050 598838189 /nfs/dbraw/zinc/83/81/89/598838189.db2.gz YOGLSNZGNGKKKO-HALDLXJZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000736227050 598838191 /nfs/dbraw/zinc/83/81/91/598838191.db2.gz YOGLSNZGNGKKKO-HALDLXJZSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C[C@@H](C)C1 ZINC000736222565 598838339 /nfs/dbraw/zinc/83/83/39/598838339.db2.gz DVARYVQDCPYVRQ-FICVDOATSA-N -1 3 395.463 3.593 20 0 GHADHM C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C[C@@H](C)C1 ZINC000736222565 598838340 /nfs/dbraw/zinc/83/83/40/598838340.db2.gz DVARYVQDCPYVRQ-FICVDOATSA-N -1 3 395.463 3.593 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000735670232 598838466 /nfs/dbraw/zinc/83/84/66/598838466.db2.gz JXTKZJBSOULPMD-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000735670232 598838467 /nfs/dbraw/zinc/83/84/67/598838467.db2.gz JXTKZJBSOULPMD-UHFFFAOYSA-N -1 3 388.834 3.759 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000738179283 598839334 /nfs/dbraw/zinc/83/93/34/598839334.db2.gz PSNJPRYBVZERMD-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000738179283 598839335 /nfs/dbraw/zinc/83/93/35/598839335.db2.gz PSNJPRYBVZERMD-AWEZNQCLSA-N -1 3 389.246 3.983 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895439 598881076 /nfs/dbraw/zinc/88/10/76/598881076.db2.gz JHWILQJYRYULIM-IFXJQAMLSA-N -1 3 393.491 3.729 20 0 GHADHM COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895439 598881077 /nfs/dbraw/zinc/88/10/77/598881077.db2.gz JHWILQJYRYULIM-IFXJQAMLSA-N -1 3 393.491 3.729 20 0 GHADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000736036632 598888443 /nfs/dbraw/zinc/88/84/43/598888443.db2.gz FRXAGGDKCCULEQ-KBPBESRZSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000736036632 598888445 /nfs/dbraw/zinc/88/84/45/598888445.db2.gz FRXAGGDKCCULEQ-KBPBESRZSA-N -1 3 384.411 3.510 20 0 GHADHM CC[C@@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(C)C ZINC000736365193 598890086 /nfs/dbraw/zinc/89/00/86/598890086.db2.gz VQLOXSJTRMLFDG-OAHLLOKOSA-N -1 3 384.509 3.829 20 0 GHADHM c1cn2cc(CSc3nc(-c4ccccc4)ccc3-c3nnn[n-]3)nc2s1 ZINC000738421794 598902870 /nfs/dbraw/zinc/90/28/70/598902870.db2.gz VWVWWCQSGORNEJ-UHFFFAOYSA-N -1 3 391.485 3.930 20 0 GHADHM c1cn2cc(CSc3nc(-c4ccccc4)ccc3-c3nn[n-]n3)nc2s1 ZINC000738421794 598902871 /nfs/dbraw/zinc/90/28/71/598902871.db2.gz VWVWWCQSGORNEJ-UHFFFAOYSA-N -1 3 391.485 3.930 20 0 GHADHM S=C(NCc1coc2ccccc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738402161 598903085 /nfs/dbraw/zinc/90/30/85/598903085.db2.gz YGFANRPEDKCXTM-UHFFFAOYSA-N -1 3 384.852 3.753 20 0 GHADHM S=C(NCc1coc2ccccc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738402161 598903086 /nfs/dbraw/zinc/90/30/86/598903086.db2.gz YGFANRPEDKCXTM-UHFFFAOYSA-N -1 3 384.852 3.753 20 0 GHADHM C[C@H](CC1CCCC1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735986021 598904648 /nfs/dbraw/zinc/90/46/48/598904648.db2.gz PJIJLHKMZLQPKX-CYBMUJFWSA-N -1 3 395.429 3.974 20 0 GHADHM C[C@H](CC1CCCC1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735986021 598904650 /nfs/dbraw/zinc/90/46/50/598904650.db2.gz PJIJLHKMZLQPKX-CYBMUJFWSA-N -1 3 395.429 3.974 20 0 GHADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736262119 598907480 /nfs/dbraw/zinc/90/74/80/598907480.db2.gz MJYKCUOPYLVQPU-SJORKVTESA-N -1 3 385.512 3.748 20 0 GHADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736262119 598907482 /nfs/dbraw/zinc/90/74/82/598907482.db2.gz MJYKCUOPYLVQPU-SJORKVTESA-N -1 3 385.512 3.748 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000735661532 598919404 /nfs/dbraw/zinc/91/94/04/598919404.db2.gz UDMWMODXICACOZ-HXUWFJFHSA-N -1 3 383.500 3.777 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000735661532 598919406 /nfs/dbraw/zinc/91/94/06/598919406.db2.gz UDMWMODXICACOZ-HXUWFJFHSA-N -1 3 383.500 3.777 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736268871 598927377 /nfs/dbraw/zinc/92/73/77/598927377.db2.gz URHOJFXDPSYEBV-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736268871 598927379 /nfs/dbraw/zinc/92/73/79/598927379.db2.gz URHOJFXDPSYEBV-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735752214 598928546 /nfs/dbraw/zinc/92/85/46/598928546.db2.gz ZAINIUINKNDWHF-QGZVFWFLSA-N -1 3 385.512 3.701 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735752214 598928549 /nfs/dbraw/zinc/92/85/49/598928549.db2.gz ZAINIUINKNDWHF-QGZVFWFLSA-N -1 3 385.512 3.701 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736400721 598932686 /nfs/dbraw/zinc/93/26/86/598932686.db2.gz BGLMTSWLSQFFLA-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000736400721 598932687 /nfs/dbraw/zinc/93/26/87/598932687.db2.gz BGLMTSWLSQFFLA-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736400642 598942587 /nfs/dbraw/zinc/94/25/87/598942587.db2.gz QGDSOGATYGVHLH-PBHICJAKSA-N -1 3 395.463 3.737 20 0 GHADHM CC[C@@H]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736400642 598942589 /nfs/dbraw/zinc/94/25/89/598942589.db2.gz QGDSOGATYGVHLH-PBHICJAKSA-N -1 3 395.463 3.737 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)c(Cl)c1 ZINC000737032793 598938290 /nfs/dbraw/zinc/93/82/90/598938290.db2.gz ORUJUXCJGXLHIX-UHFFFAOYSA-N -1 3 381.219 3.640 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)c(Cl)c1 ZINC000737032793 598938292 /nfs/dbraw/zinc/93/82/92/598938292.db2.gz ORUJUXCJGXLHIX-UHFFFAOYSA-N -1 3 381.219 3.640 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736204891 598944838 /nfs/dbraw/zinc/94/48/38/598944838.db2.gz SMYUAQFIKDOFFO-MRXNPFEDSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736204891 598944840 /nfs/dbraw/zinc/94/48/40/598944840.db2.gz SMYUAQFIKDOFFO-MRXNPFEDSA-N -1 3 391.475 3.635 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736202717 598954270 /nfs/dbraw/zinc/95/42/70/598954270.db2.gz KUJNSZJAFZGLPV-INIZCTEOSA-N -1 3 390.491 3.669 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000736509335 598970317 /nfs/dbraw/zinc/97/03/17/598970317.db2.gz VCKBEPFIIXYOGE-MRXNPFEDSA-N -1 3 399.520 3.564 20 0 GHADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000736509335 598970319 /nfs/dbraw/zinc/97/03/19/598970319.db2.gz VCKBEPFIIXYOGE-MRXNPFEDSA-N -1 3 399.520 3.564 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737394352 598988240 /nfs/dbraw/zinc/98/82/40/598988240.db2.gz RMZXCQCSDBKDQN-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736426242 598998507 /nfs/dbraw/zinc/99/85/07/598998507.db2.gz YYRSLFYBDXNUHE-GOSISDBHSA-N -1 3 379.464 3.754 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736426242 598998508 /nfs/dbraw/zinc/99/85/08/598998508.db2.gz YYRSLFYBDXNUHE-GOSISDBHSA-N -1 3 379.464 3.754 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735697188 599001742 /nfs/dbraw/zinc/00/17/42/599001742.db2.gz ZZXCGSLMRVRPLJ-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737087984 599009333 /nfs/dbraw/zinc/00/93/33/599009333.db2.gz KHEKBTRJHGRQAI-UHFFFAOYSA-N -1 3 393.491 3.606 20 0 GHADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737087984 599009334 /nfs/dbraw/zinc/00/93/34/599009334.db2.gz KHEKBTRJHGRQAI-UHFFFAOYSA-N -1 3 393.491 3.606 20 0 GHADHM CC(C)(C)c1noc(-c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000735654242 599009636 /nfs/dbraw/zinc/00/96/36/599009636.db2.gz CCVDKCNFJUSHMN-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736200156 599012247 /nfs/dbraw/zinc/01/22/47/599012247.db2.gz CAQZWZXOEXURAT-MRXNPFEDSA-N -1 3 390.491 3.940 20 0 GHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736200156 599012248 /nfs/dbraw/zinc/01/22/48/599012248.db2.gz CAQZWZXOEXURAT-MRXNPFEDSA-N -1 3 390.491 3.940 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736363033 599012669 /nfs/dbraw/zinc/01/26/69/599012669.db2.gz MCUAITVSNMSRIX-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736363033 599012671 /nfs/dbraw/zinc/01/26/71/599012671.db2.gz MCUAITVSNMSRIX-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@H](CC)c1cccs1 ZINC000736635762 599014219 /nfs/dbraw/zinc/01/42/19/599014219.db2.gz YRNYIPGNOSOTJY-GFCCVEGCSA-N -1 3 388.522 3.765 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@H](CC)c1cccs1 ZINC000736635762 599014220 /nfs/dbraw/zinc/01/42/20/599014220.db2.gz YRNYIPGNOSOTJY-GFCCVEGCSA-N -1 3 388.522 3.765 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736403594 599022353 /nfs/dbraw/zinc/02/23/53/599022353.db2.gz WHZJLYGTILQDIK-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000736166308 599026529 /nfs/dbraw/zinc/02/65/29/599026529.db2.gz ZUNQWFSGNKHLIX-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737364466 599028561 /nfs/dbraw/zinc/02/85/61/599028561.db2.gz KTIJGPYSWJSOPX-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM Cc1c(NCC(=O)N[C@@H](c2cccs2)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822115705 607257357 /nfs/dbraw/zinc/25/73/57/607257357.db2.gz HQSAJAJPXSPHDT-KRWDZBQOSA-N -1 3 384.509 3.552 20 0 GHADHM Cc1c(NCC(=O)N[C@@H](c2cccs2)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822115705 607257358 /nfs/dbraw/zinc/25/73/58/607257358.db2.gz HQSAJAJPXSPHDT-KRWDZBQOSA-N -1 3 384.509 3.552 20 0 GHADHM COc1ccc(Cl)cc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737098846 599044940 /nfs/dbraw/zinc/04/49/40/599044940.db2.gz GJIUZIVNRKKOJG-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM COc1ccc(Cl)cc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737098846 599044943 /nfs/dbraw/zinc/04/49/43/599044943.db2.gz GJIUZIVNRKKOJG-UHFFFAOYSA-N -1 3 384.749 3.555 20 0 GHADHM CC(C)COc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735844029 599045705 /nfs/dbraw/zinc/04/57/05/599045705.db2.gz FIKLZALIUFEYIJ-UHFFFAOYSA-N -1 3 392.385 3.927 20 0 GHADHM CC(C)COc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735844029 599045708 /nfs/dbraw/zinc/04/57/08/599045708.db2.gz FIKLZALIUFEYIJ-UHFFFAOYSA-N -1 3 392.385 3.927 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)COCc1ccccc1 ZINC000736027037 599045947 /nfs/dbraw/zinc/04/59/47/599045947.db2.gz VSBXAJPVALWHDJ-LBPRGKRZSA-N -1 3 392.385 3.545 20 0 GHADHM C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)COCc1ccccc1 ZINC000736027037 599045950 /nfs/dbraw/zinc/04/59/50/599045950.db2.gz VSBXAJPVALWHDJ-LBPRGKRZSA-N -1 3 392.385 3.545 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000819940301 599051995 /nfs/dbraw/zinc/05/19/95/599051995.db2.gz WDWOZDRZJKIXIP-TZMCWYRMSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000819940301 599051998 /nfs/dbraw/zinc/05/19/98/599051998.db2.gz WDWOZDRZJKIXIP-TZMCWYRMSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819933410 599056687 /nfs/dbraw/zinc/05/66/87/599056687.db2.gz QOFZRNUIBJZKIR-KRWDZBQOSA-N -1 3 380.452 3.545 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc2ncccc21 ZINC000736192802 599063555 /nfs/dbraw/zinc/06/35/55/599063555.db2.gz MILOLTHNBBIVQB-NSHDSACASA-N -1 3 394.435 3.673 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc2ncccc21 ZINC000736192802 599063557 /nfs/dbraw/zinc/06/35/57/599063557.db2.gz MILOLTHNBBIVQB-NSHDSACASA-N -1 3 394.435 3.673 20 0 GHADHM CCc1ccc2c(CSc3ccc(-c4nnn[n-]4)cc3F)cc(=O)oc2c1 ZINC000736690288 599065847 /nfs/dbraw/zinc/06/58/47/599065847.db2.gz IKDZLFMHOYYGIC-UHFFFAOYSA-N -1 3 382.420 3.967 20 0 GHADHM CCc1ccc2c(CSc3ccc(-c4nn[n-]n4)cc3F)cc(=O)oc2c1 ZINC000736690288 599065849 /nfs/dbraw/zinc/06/58/49/599065849.db2.gz IKDZLFMHOYYGIC-UHFFFAOYSA-N -1 3 382.420 3.967 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738163312 599069665 /nfs/dbraw/zinc/06/96/65/599069665.db2.gz LQAKTHBQSQRVOE-CMPLNLGQSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738163312 599069668 /nfs/dbraw/zinc/06/96/68/599069668.db2.gz LQAKTHBQSQRVOE-CMPLNLGQSA-N -1 3 375.766 3.541 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817581 599069883 /nfs/dbraw/zinc/06/98/83/599069883.db2.gz CFTWEVIONYHARV-WMZOPIPTSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817581 599069886 /nfs/dbraw/zinc/06/98/86/599069886.db2.gz CFTWEVIONYHARV-WMZOPIPTSA-N -1 3 397.429 3.938 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccco1 ZINC000735564494 599074173 /nfs/dbraw/zinc/07/41/73/599074173.db2.gz XOEJNSHWPSNBMR-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccco1 ZINC000735564494 599074175 /nfs/dbraw/zinc/07/41/75/599074175.db2.gz XOEJNSHWPSNBMR-CYBMUJFWSA-N -1 3 375.388 3.994 20 0 GHADHM Clc1ccc2c(c1Cl)OC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822568434 599075447 /nfs/dbraw/zinc/07/54/47/599075447.db2.gz QWIXUYHURBLIIS-SNVBAGLBSA-N -1 3 383.626 3.768 20 0 GHADHM Clc1ccc2c(c1Cl)OC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822568434 599075449 /nfs/dbraw/zinc/07/54/49/599075449.db2.gz QWIXUYHURBLIIS-SNVBAGLBSA-N -1 3 383.626 3.768 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737331611 599083807 /nfs/dbraw/zinc/08/38/07/599083807.db2.gz QCLUUROJASFTIY-OXQOHEQNSA-N -1 3 391.475 3.696 20 0 GHADHM CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736427207 599084361 /nfs/dbraw/zinc/08/43/61/599084361.db2.gz VQEQJWGCQZESFC-APWZRJJASA-N -1 3 393.491 3.552 20 0 GHADHM CCSCc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736665981 599084513 /nfs/dbraw/zinc/08/45/13/599084513.db2.gz JYZPRTMCJYESII-CYBMUJFWSA-N -1 3 383.477 3.526 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736236189 599090922 /nfs/dbraw/zinc/09/09/22/599090922.db2.gz RCJLMMPNFHYEOR-JXXFODFXSA-N -1 3 375.476 3.592 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736236189 599090924 /nfs/dbraw/zinc/09/09/24/599090924.db2.gz RCJLMMPNFHYEOR-JXXFODFXSA-N -1 3 375.476 3.592 20 0 GHADHM FC(F)(F)c1csc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000822727873 599105556 /nfs/dbraw/zinc/10/55/56/599105556.db2.gz ACNJUVGNFCUBIU-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM FC(F)(F)c1csc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000822727873 599105558 /nfs/dbraw/zinc/10/55/58/599105558.db2.gz ACNJUVGNFCUBIU-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM O[C@H](C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000823675838 599109989 /nfs/dbraw/zinc/10/99/89/599109989.db2.gz ZXMDJSDFRVYLBH-OXJNMPFZSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@H](C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000823675838 599109991 /nfs/dbraw/zinc/10/99/91/599109991.db2.gz ZXMDJSDFRVYLBH-OXJNMPFZSA-N -1 3 386.459 3.507 20 0 GHADHM CCN(C(=O)CSc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000736505333 599110151 /nfs/dbraw/zinc/11/01/51/599110151.db2.gz LWTRLUGOBBKKFW-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM CCN(C(=O)CSc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000736505333 599110154 /nfs/dbraw/zinc/11/01/54/599110154.db2.gz LWTRLUGOBBKKFW-UHFFFAOYSA-N -1 3 396.501 3.622 20 0 GHADHM COC(=O)[C@@H](SC1=Nc2ccccc2CS1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902399 599111547 /nfs/dbraw/zinc/11/15/47/599111547.db2.gz TVAMZAYHGBDPKK-HNNXBMFYSA-N -1 3 397.485 3.749 20 0 GHADHM COC(=O)[C@@H](SC1=Nc2ccccc2CS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902399 599111550 /nfs/dbraw/zinc/11/15/50/599111550.db2.gz TVAMZAYHGBDPKK-HNNXBMFYSA-N -1 3 397.485 3.749 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738219802 599130813 /nfs/dbraw/zinc/13/08/13/599130813.db2.gz CGVAYVRDXLMOPN-UHFFFAOYSA-N -1 3 392.337 3.555 20 0 GHADHM O=C(OCCC(F)(F)F)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738219802 599130818 /nfs/dbraw/zinc/13/08/18/599130818.db2.gz CGVAYVRDXLMOPN-UHFFFAOYSA-N -1 3 392.337 3.555 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(C)(C)C ZINC000736018887 599144116 /nfs/dbraw/zinc/14/41/16/599144116.db2.gz XHWIBUQDIGYCHD-CYBMUJFWSA-N -1 3 395.467 3.858 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000736678701 599160600 /nfs/dbraw/zinc/16/06/00/599160600.db2.gz FQSYCSDIZYHQFP-UWVGGRQHSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000736678701 599160602 /nfs/dbraw/zinc/16/06/02/599160602.db2.gz FQSYCSDIZYHQFP-UWVGGRQHSA-N -1 3 375.404 3.511 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737425087 599161611 /nfs/dbraw/zinc/16/16/11/599161611.db2.gz YTPUYRYACMIQDS-INIZCTEOSA-N -1 3 375.476 3.860 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737425087 599161612 /nfs/dbraw/zinc/16/16/12/599161612.db2.gz YTPUYRYACMIQDS-INIZCTEOSA-N -1 3 375.476 3.860 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCCC[C@H]1C ZINC000735734271 599170191 /nfs/dbraw/zinc/17/01/91/599170191.db2.gz GGVGSVNZKVHTPL-MLGOLLRUSA-N -1 3 377.489 3.524 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCCC[C@H]1C ZINC000735734271 599170194 /nfs/dbraw/zinc/17/01/94/599170194.db2.gz GGVGSVNZKVHTPL-MLGOLLRUSA-N -1 3 377.489 3.524 20 0 GHADHM COc1ccc(-c2cc(CSc3ccc(-c4nnn[n-]4)cc3F)on2)cc1 ZINC000737055985 599170925 /nfs/dbraw/zinc/17/09/25/599170925.db2.gz SMDULOJNNHZPGQ-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM COc1ccc(-c2cc(CSc3ccc(-c4nn[n-]n4)cc3F)on2)cc1 ZINC000737055985 599170927 /nfs/dbraw/zinc/17/09/27/599170927.db2.gz SMDULOJNNHZPGQ-UHFFFAOYSA-N -1 3 383.408 3.962 20 0 GHADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1F)Nc1cccc(Cl)c1 ZINC000737850422 599174463 /nfs/dbraw/zinc/17/44/63/599174463.db2.gz XLXWSGCVXYALJE-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1F)Nc1cccc(Cl)c1 ZINC000737850422 599174465 /nfs/dbraw/zinc/17/44/65/599174465.db2.gz XLXWSGCVXYALJE-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1C(C)C ZINC000822210545 599178813 /nfs/dbraw/zinc/17/88/13/599178813.db2.gz HBRZDLHUMNSTJM-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1C(C)C ZINC000822210545 599178814 /nfs/dbraw/zinc/17/88/14/599178814.db2.gz HBRZDLHUMNSTJM-AWEZNQCLSA-N -1 3 397.454 3.521 20 0 GHADHM Cn1c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1-c1ccccc1 ZINC000737593461 599181090 /nfs/dbraw/zinc/18/10/90/599181090.db2.gz RIFUCOVAUPHGLY-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM Cn1c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1-c1ccccc1 ZINC000737593461 599181093 /nfs/dbraw/zinc/18/10/93/599181093.db2.gz RIFUCOVAUPHGLY-UHFFFAOYSA-N -1 3 378.823 3.778 20 0 GHADHM CS[C@H]1CC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000821949000 599185912 /nfs/dbraw/zinc/18/59/12/599185912.db2.gz FCUAUJNIPPYUJZ-ROUUACIJSA-N -1 3 394.504 3.624 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000735552211 599186342 /nfs/dbraw/zinc/18/63/42/599186342.db2.gz VYSXEUSOCVAQFB-SECBINFHSA-N -1 3 393.781 3.864 20 0 GHADHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000735552211 599186344 /nfs/dbraw/zinc/18/63/44/599186344.db2.gz VYSXEUSOCVAQFB-SECBINFHSA-N -1 3 393.781 3.864 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666729 599190343 /nfs/dbraw/zinc/19/03/43/599190343.db2.gz JGHGUJUMBAFKCJ-KUHUBIRLSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666729 599190346 /nfs/dbraw/zinc/19/03/46/599190346.db2.gz JGHGUJUMBAFKCJ-KUHUBIRLSA-N -1 3 379.439 3.548 20 0 GHADHM O=C(NCCC1CC1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823183460 599191967 /nfs/dbraw/zinc/19/19/67/599191967.db2.gz XSXPPMLGJPYEJN-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM O=C(NCCC1CC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823183460 599191970 /nfs/dbraw/zinc/19/19/70/599191970.db2.gz XSXPPMLGJPYEJN-UHFFFAOYSA-N -1 3 383.839 3.842 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737995523 599198478 /nfs/dbraw/zinc/19/84/78/599198478.db2.gz MEMICJFNFBKIEX-QGZVFWFLSA-N -1 3 375.457 3.642 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737995523 599198480 /nfs/dbraw/zinc/19/84/80/599198480.db2.gz MEMICJFNFBKIEX-QGZVFWFLSA-N -1 3 375.457 3.642 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)n[nH]1 ZINC000737274468 599214938 /nfs/dbraw/zinc/21/49/38/599214938.db2.gz NFGNEWVTXUCJKO-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)n[nH]1 ZINC000737274468 599214941 /nfs/dbraw/zinc/21/49/41/599214941.db2.gz NFGNEWVTXUCJKO-UHFFFAOYSA-N -1 3 395.810 3.596 20 0 GHADHM O=C(CC1CCOCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822946194 599218996 /nfs/dbraw/zinc/21/89/96/599218996.db2.gz WWJXOFMNRYQJBD-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM O=C(CC1CCOCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822946194 599218998 /nfs/dbraw/zinc/21/89/98/599218998.db2.gz WWJXOFMNRYQJBD-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820020257 599230023 /nfs/dbraw/zinc/23/00/23/599230023.db2.gz CJAYXDCNNIEYOW-QGZVFWFLSA-N -1 3 384.484 3.560 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820020257 599230024 /nfs/dbraw/zinc/23/00/24/599230024.db2.gz CJAYXDCNNIEYOW-QGZVFWFLSA-N -1 3 384.484 3.560 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820741614 599230105 /nfs/dbraw/zinc/23/01/05/599230105.db2.gz DTWVWTIKERSLIE-BZNIZROVSA-N -1 3 384.896 3.910 20 0 GHADHM C[C@@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000820741614 599230107 /nfs/dbraw/zinc/23/01/07/599230107.db2.gz DTWVWTIKERSLIE-BZNIZROVSA-N -1 3 384.896 3.910 20 0 GHADHM CS[C@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000737181481 599234422 /nfs/dbraw/zinc/23/44/22/599234422.db2.gz VYMSLYPLNROEQZ-QWRGUYRKSA-N -1 3 376.436 3.779 20 0 GHADHM CS[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000737181481 599234423 /nfs/dbraw/zinc/23/44/23/599234423.db2.gz VYMSLYPLNROEQZ-QWRGUYRKSA-N -1 3 376.436 3.779 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000820197602 599240280 /nfs/dbraw/zinc/24/02/80/599240280.db2.gz MPNVGILPGIEZIL-CQSZACIVSA-N -1 3 397.508 3.858 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000820197602 599240282 /nfs/dbraw/zinc/24/02/82/599240282.db2.gz MPNVGILPGIEZIL-CQSZACIVSA-N -1 3 397.508 3.858 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736236379 599248978 /nfs/dbraw/zinc/24/89/78/599248978.db2.gz RVOITGMBDAJSBP-GKLPTQFBSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736236379 599248983 /nfs/dbraw/zinc/24/89/83/599248983.db2.gz RVOITGMBDAJSBP-GKLPTQFBSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379928 599251602 /nfs/dbraw/zinc/25/16/02/599251602.db2.gz IGUFFFYPEQANAT-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379928 599251606 /nfs/dbraw/zinc/25/16/06/599251606.db2.gz IGUFFFYPEQANAT-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM COc1ccccc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000737150014 599255341 /nfs/dbraw/zinc/25/53/41/599255341.db2.gz JUSSVEUVJPDAGH-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM COc1ccccc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000737150014 599255343 /nfs/dbraw/zinc/25/53/43/599255343.db2.gz JUSSVEUVJPDAGH-UHFFFAOYSA-N -1 3 378.411 3.507 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821417586 607286907 /nfs/dbraw/zinc/28/69/07/607286907.db2.gz PACFOGMUOOKIFR-LJQANCHMSA-N -1 3 392.463 3.943 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821417586 607286908 /nfs/dbraw/zinc/28/69/08/607286908.db2.gz PACFOGMUOOKIFR-LJQANCHMSA-N -1 3 392.463 3.943 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821504171 599259936 /nfs/dbraw/zinc/25/99/36/599259936.db2.gz CPQATYUJCVHJOC-AAEUAGOBSA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821504171 599259938 /nfs/dbraw/zinc/25/99/38/599259938.db2.gz CPQATYUJCVHJOC-AAEUAGOBSA-N -1 3 399.524 3.658 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000822299637 607301773 /nfs/dbraw/zinc/30/17/73/607301773.db2.gz PTTAEYVPRFKIGB-MRXNPFEDSA-N -1 3 382.855 3.509 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822299637 607301774 /nfs/dbraw/zinc/30/17/74/607301774.db2.gz PTTAEYVPRFKIGB-MRXNPFEDSA-N -1 3 382.855 3.509 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819939611 607313906 /nfs/dbraw/zinc/31/39/06/607313906.db2.gz GZZPGMOWUNSRGY-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819939611 607313907 /nfs/dbraw/zinc/31/39/07/607313907.db2.gz GZZPGMOWUNSRGY-UHFFFAOYSA-N -1 3 380.452 3.504 20 0 GHADHM COc1ccc(CNc2ccc(OC(F)F)c3ncccc23)cc1-c1nnn[n-]1 ZINC000821821447 607314198 /nfs/dbraw/zinc/31/41/98/607314198.db2.gz GPQUKFRWGJWSSB-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM COc1ccc(CNc2ccc(OC(F)F)c3ncccc23)cc1-c1nn[n-]n1 ZINC000821821447 607314199 /nfs/dbraw/zinc/31/41/99/607314199.db2.gz GPQUKFRWGJWSSB-UHFFFAOYSA-N -1 3 398.373 3.637 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821384341 607315679 /nfs/dbraw/zinc/31/56/79/607315679.db2.gz VXVSQRCQCHLWSO-UHFFFAOYSA-N -1 3 379.873 3.609 20 0 GHADHM CCOCCOc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821384341 607315680 /nfs/dbraw/zinc/31/56/80/607315680.db2.gz VXVSQRCQCHLWSO-UHFFFAOYSA-N -1 3 379.873 3.609 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000737574175 599268259 /nfs/dbraw/zinc/26/82/59/599268259.db2.gz QZKFVNWHQSVGJH-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000737574175 599268261 /nfs/dbraw/zinc/26/82/61/599268261.db2.gz QZKFVNWHQSVGJH-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1c(-c2nnn[n-]2)cnc2ccccc21)CC3 ZINC000737373771 599270521 /nfs/dbraw/zinc/27/05/21/599270521.db2.gz VZGMJVTVXYWXPG-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM Cc1ccc2[nH]c3c(c2c1)CN(c1c(-c2nn[n-]n2)cnc2ccccc21)CC3 ZINC000737373771 599270523 /nfs/dbraw/zinc/27/05/23/599270523.db2.gz VZGMJVTVXYWXPG-UHFFFAOYSA-N -1 3 381.443 3.767 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCSc1ccccc1 ZINC000736487034 599275755 /nfs/dbraw/zinc/27/57/55/599275755.db2.gz AXRYZIGOSTUONU-UHFFFAOYSA-N -1 3 382.493 3.810 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823299054 599277835 /nfs/dbraw/zinc/27/78/35/599277835.db2.gz FMLIQYVKLJVHRG-CHWSQXEVSA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823299054 599277836 /nfs/dbraw/zinc/27/78/36/599277836.db2.gz FMLIQYVKLJVHRG-CHWSQXEVSA-N -1 3 392.410 3.558 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCOc1cccc(F)c1 ZINC000736487580 599279092 /nfs/dbraw/zinc/27/90/92/599279092.db2.gz ISLXBUIXWHFNDK-UHFFFAOYSA-N -1 3 398.442 3.625 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821942499 599281956 /nfs/dbraw/zinc/28/19/56/599281956.db2.gz OHGZDJHVQLPRDQ-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM CSC(C)(C)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821942499 599281959 /nfs/dbraw/zinc/28/19/59/599281959.db2.gz OHGZDJHVQLPRDQ-UHFFFAOYSA-N -1 3 398.492 3.922 20 0 GHADHM CCCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccncc1 ZINC000736503695 599285090 /nfs/dbraw/zinc/28/50/90/599285090.db2.gz NDPYTUJQQNGIMK-CYBMUJFWSA-N -1 3 392.492 3.784 20 0 GHADHM CCCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccncc1 ZINC000736503695 599285091 /nfs/dbraw/zinc/28/50/91/599285091.db2.gz NDPYTUJQQNGIMK-CYBMUJFWSA-N -1 3 392.492 3.784 20 0 GHADHM COCCn1c2ccccc2nc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737015955 599285514 /nfs/dbraw/zinc/28/55/14/599285514.db2.gz HQEJFGMMAUKAHP-CYBMUJFWSA-N -1 3 380.477 3.716 20 0 GHADHM COCCn1c2ccccc2nc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737015955 599285516 /nfs/dbraw/zinc/28/55/16/599285516.db2.gz HQEJFGMMAUKAHP-CYBMUJFWSA-N -1 3 380.477 3.716 20 0 GHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000820981237 599289611 /nfs/dbraw/zinc/28/96/11/599289611.db2.gz PQLAPPCIPWQAJW-NSHDSACASA-N -1 3 382.390 3.930 20 0 GHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820981237 599289613 /nfs/dbraw/zinc/28/96/13/599289613.db2.gz PQLAPPCIPWQAJW-NSHDSACASA-N -1 3 382.390 3.930 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000822979231 607321489 /nfs/dbraw/zinc/32/14/89/607321489.db2.gz ZTURBKZSLMLQCF-LJQANCHMSA-N -1 3 397.429 3.831 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000822979231 607321490 /nfs/dbraw/zinc/32/14/90/607321490.db2.gz ZTURBKZSLMLQCF-LJQANCHMSA-N -1 3 397.429 3.831 20 0 GHADHM CC(C)(C)CCCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735601765 598233448 /nfs/dbraw/zinc/23/34/48/598233448.db2.gz CIAQVWCZYRAMHT-UHFFFAOYSA-N -1 3 397.479 3.985 20 0 GHADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925596 598235694 /nfs/dbraw/zinc/23/56/94/598235694.db2.gz VSGHZWFHFRWESQ-IBGZPJMESA-N -1 3 397.866 3.557 20 0 GHADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737925596 598235696 /nfs/dbraw/zinc/23/56/96/598235696.db2.gz VSGHZWFHFRWESQ-IBGZPJMESA-N -1 3 397.866 3.557 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737894831 598235776 /nfs/dbraw/zinc/23/57/76/598235776.db2.gz KYQRQVGVIUDCFN-IBGZPJMESA-N -1 3 396.882 3.590 20 0 GHADHM O=C(CNc1cccc(-c2cccs2)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737900175 598250510 /nfs/dbraw/zinc/25/05/10/598250510.db2.gz WGXRPUZPJVYYOI-UHFFFAOYSA-N -1 3 376.445 3.646 20 0 GHADHM O=C(CNc1cccc(-c2cccs2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737900175 598250511 /nfs/dbraw/zinc/25/05/11/598250511.db2.gz WGXRPUZPJVYYOI-UHFFFAOYSA-N -1 3 376.445 3.646 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738151588 598256327 /nfs/dbraw/zinc/25/63/27/598256327.db2.gz JOGUGFVFGFQRRG-SFHVURJKSA-N -1 3 380.427 3.635 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000738151588 598256329 /nfs/dbraw/zinc/25/63/29/598256329.db2.gz JOGUGFVFGFQRRG-SFHVURJKSA-N -1 3 380.427 3.635 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3cccn3)cc2)cc1-c1nnn[n-]1 ZINC000822727918 607346532 /nfs/dbraw/zinc/34/65/32/607346532.db2.gz BXIIBYIYISERJH-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3cccn3)cc2)cc1-c1nn[n-]n1 ZINC000822727918 607346534 /nfs/dbraw/zinc/34/65/34/607346534.db2.gz BXIIBYIYISERJH-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736827739 598275078 /nfs/dbraw/zinc/27/50/78/598275078.db2.gz AUBFZTWTYAOXSM-UHFFFAOYSA-N -1 3 387.875 3.741 20 0 GHADHM CN(Cc1ccccc1Cl)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736827739 598275080 /nfs/dbraw/zinc/27/50/80/598275080.db2.gz AUBFZTWTYAOXSM-UHFFFAOYSA-N -1 3 387.875 3.741 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)CCO2)cc1 ZINC000737652564 598275822 /nfs/dbraw/zinc/27/58/22/598275822.db2.gz YDZWHGNUGQXDCW-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Fc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)CCO2)cc1 ZINC000737652564 598275824 /nfs/dbraw/zinc/27/58/24/598275824.db2.gz YDZWHGNUGQXDCW-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM O[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000738381613 598275977 /nfs/dbraw/zinc/27/59/77/598275977.db2.gz IOBCRADKYRDWMV-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000738381613 598275979 /nfs/dbraw/zinc/27/59/79/598275979.db2.gz IOBCRADKYRDWMV-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O=C(c1cnc(C2CC2)s1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000738289069 598278500 /nfs/dbraw/zinc/27/85/00/598278500.db2.gz JAPOHFJOZLFSKM-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM O=C(c1cnc(C2CC2)s1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000738289069 598278501 /nfs/dbraw/zinc/27/85/01/598278501.db2.gz JAPOHFJOZLFSKM-UHFFFAOYSA-N -1 3 392.444 3.641 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737464805 598279769 /nfs/dbraw/zinc/27/97/69/598279769.db2.gz YTKPTBBXSOZOBO-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737464805 598279771 /nfs/dbraw/zinc/27/97/71/598279771.db2.gz YTKPTBBXSOZOBO-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000735659849 598280473 /nfs/dbraw/zinc/28/04/73/598280473.db2.gz FSUCPPSUCRXDMW-UHFFFAOYSA-N -1 3 397.483 3.993 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000735659849 598280474 /nfs/dbraw/zinc/28/04/74/598280474.db2.gz FSUCPPSUCRXDMW-UHFFFAOYSA-N -1 3 397.483 3.993 20 0 GHADHM O=S(=O)(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000738330531 598290675 /nfs/dbraw/zinc/29/06/75/598290675.db2.gz QVLKITXYRBFEDP-UHFFFAOYSA-N -1 3 390.468 3.649 20 0 GHADHM O=S(=O)(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738330531 598290676 /nfs/dbraw/zinc/29/06/76/598290676.db2.gz QVLKITXYRBFEDP-UHFFFAOYSA-N -1 3 390.468 3.649 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737447422 598293099 /nfs/dbraw/zinc/29/30/99/598293099.db2.gz BHHIGGLUFUXTKA-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1csc(-c2ccc(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737447422 598293100 /nfs/dbraw/zinc/29/31/00/598293100.db2.gz BHHIGGLUFUXTKA-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737115142 598296299 /nfs/dbraw/zinc/29/62/99/598296299.db2.gz KYXWZHBUOFUFGX-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737115142 598296300 /nfs/dbraw/zinc/29/63/00/598296300.db2.gz KYXWZHBUOFUFGX-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000737289765 598310759 /nfs/dbraw/zinc/31/07/59/598310759.db2.gz YCZYZMYYJPNCDH-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM Cc1ccc(-c2nc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000737289765 598310760 /nfs/dbraw/zinc/31/07/60/598310760.db2.gz YCZYZMYYJPNCDH-UHFFFAOYSA-N -1 3 394.435 3.714 20 0 GHADHM CCC[C@H](NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736430584 598314512 /nfs/dbraw/zinc/31/45/12/598314512.db2.gz ZPGZZKKCKWRCER-SFHVURJKSA-N -1 3 399.495 3.897 20 0 GHADHM CCC[C@H](NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736430584 598314515 /nfs/dbraw/zinc/31/45/15/598314515.db2.gz ZPGZZKKCKWRCER-SFHVURJKSA-N -1 3 399.495 3.897 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc21 ZINC000736289950 598318102 /nfs/dbraw/zinc/31/81/02/598318102.db2.gz FXFQXTAJSYTSIW-NSHDSACASA-N -1 3 384.896 3.836 20 0 GHADHM C[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc21 ZINC000736289950 598318104 /nfs/dbraw/zinc/31/81/04/598318104.db2.gz FXFQXTAJSYTSIW-NSHDSACASA-N -1 3 384.896 3.836 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@@H](C)c1cccs1 ZINC000735906775 598321082 /nfs/dbraw/zinc/32/10/82/598321082.db2.gz WNLBFHUSEZBVKX-NSHDSACASA-N -1 3 388.522 3.763 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@@H](C)c1cccs1 ZINC000735906775 598321084 /nfs/dbraw/zinc/32/10/84/598321084.db2.gz WNLBFHUSEZBVKX-NSHDSACASA-N -1 3 388.522 3.763 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc2c3c(cccc31)CC2 ZINC000738099930 598322899 /nfs/dbraw/zinc/32/28/99/598322899.db2.gz LJTVNOFSGLWBSQ-UHFFFAOYSA-N -1 3 388.406 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc2c3c(cccc31)CC2 ZINC000738099930 598322901 /nfs/dbraw/zinc/32/29/01/598322901.db2.gz LJTVNOFSGLWBSQ-UHFFFAOYSA-N -1 3 388.406 3.579 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(OC)c1 ZINC000736508024 598323899 /nfs/dbraw/zinc/32/38/99/598323899.db2.gz IGZZLLFSTAVGNM-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(OC)c1 ZINC000736508024 598323901 /nfs/dbraw/zinc/32/39/01/598323901.db2.gz IGZZLLFSTAVGNM-UHFFFAOYSA-N -1 3 388.884 3.752 20 0 GHADHM O=C(Nc1cc(F)ccc1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738145609 598326079 /nfs/dbraw/zinc/32/60/79/598326079.db2.gz UTMGPLFBSMDNIE-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM O=C(Nc1cc(F)ccc1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738145609 598326081 /nfs/dbraw/zinc/32/60/81/598326081.db2.gz UTMGPLFBSMDNIE-UHFFFAOYSA-N -1 3 397.341 3.569 20 0 GHADHM C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736189721 598357449 /nfs/dbraw/zinc/35/74/49/598357449.db2.gz QQHKHAHQJRRVDI-NSHDSACASA-N -1 3 396.501 3.861 20 0 GHADHM C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736189721 598357450 /nfs/dbraw/zinc/35/74/50/598357450.db2.gz QQHKHAHQJRRVDI-NSHDSACASA-N -1 3 396.501 3.861 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccccc1F ZINC000735902912 598364828 /nfs/dbraw/zinc/36/48/28/598364828.db2.gz ABSNDIPXRNHFIH-ZDUSSCGKSA-N -1 3 383.427 3.925 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1F ZINC000735902912 598364830 /nfs/dbraw/zinc/36/48/30/598364830.db2.gz ABSNDIPXRNHFIH-ZDUSSCGKSA-N -1 3 383.427 3.925 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)C[C@@H](C)c1ccccc1F ZINC000737025925 598365154 /nfs/dbraw/zinc/36/51/54/598365154.db2.gz PHVYAJZHPFJXOA-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)C[C@@H](C)c1ccccc1F ZINC000737025925 598365156 /nfs/dbraw/zinc/36/51/56/598365156.db2.gz PHVYAJZHPFJXOA-SNVBAGLBSA-N -1 3 390.802 3.767 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737546766 598371531 /nfs/dbraw/zinc/37/15/31/598371531.db2.gz HFIPBUFPLACEFX-SREVYHEPSA-N -1 3 393.428 3.648 20 0 GHADHM Cc1oc(-c2ccsc2)nc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737546766 598371532 /nfs/dbraw/zinc/37/15/32/598371532.db2.gz HFIPBUFPLACEFX-SREVYHEPSA-N -1 3 393.428 3.648 20 0 GHADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CSc1ccc2ccccc2c1 ZINC000738384352 598371888 /nfs/dbraw/zinc/37/18/88/598371888.db2.gz DMQLUYHPZCUHSE-QGZVFWFLSA-N -1 3 378.457 3.552 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000736964362 598381942 /nfs/dbraw/zinc/38/19/42/598381942.db2.gz XIWBPMYZQQRCCY-AUUYWEPGSA-N -1 3 395.463 3.616 20 0 GHADHM CO[C@H](C)c1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000736964362 598381943 /nfs/dbraw/zinc/38/19/43/598381943.db2.gz XIWBPMYZQQRCCY-AUUYWEPGSA-N -1 3 395.463 3.616 20 0 GHADHM Fc1cccc(Oc2ncccc2CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737663649 598390289 /nfs/dbraw/zinc/39/02/89/598390289.db2.gz JLAHJHJLKYFEKU-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM Fc1cccc(Oc2ncccc2CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737663649 598390291 /nfs/dbraw/zinc/39/02/91/598390291.db2.gz JLAHJHJLKYFEKU-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCc2sccc21 ZINC000821118275 607355899 /nfs/dbraw/zinc/35/58/99/607355899.db2.gz KKUNKTMEINTJQN-AWEZNQCLSA-N -1 3 382.493 3.809 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000737561696 598392857 /nfs/dbraw/zinc/39/28/57/598392857.db2.gz HECPOTHQHMIPIX-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000737561696 598392858 /nfs/dbraw/zinc/39/28/58/598392858.db2.gz HECPOTHQHMIPIX-UHFFFAOYSA-N -1 3 379.855 3.780 20 0 GHADHM Fc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737664116 598394760 /nfs/dbraw/zinc/39/47/60/598394760.db2.gz BIWYYHQJSZZQQO-HNNXBMFYSA-N -1 3 388.859 3.633 20 0 GHADHM Fc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737664116 598394761 /nfs/dbraw/zinc/39/47/61/598394761.db2.gz BIWYYHQJSZZQQO-HNNXBMFYSA-N -1 3 388.859 3.633 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000736194195 598416737 /nfs/dbraw/zinc/41/67/37/598416737.db2.gz XLZWSZZMEHBYEP-QWHCGFSZSA-N -1 3 393.472 3.971 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000736194195 598416738 /nfs/dbraw/zinc/41/67/38/598416738.db2.gz XLZWSZZMEHBYEP-QWHCGFSZSA-N -1 3 393.472 3.971 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738251811 598420235 /nfs/dbraw/zinc/42/02/35/598420235.db2.gz SEBZVJVBLTTYDF-KBPBESRZSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738251811 598420237 /nfs/dbraw/zinc/42/02/37/598420237.db2.gz SEBZVJVBLTTYDF-KBPBESRZSA-N -1 3 375.215 3.883 20 0 GHADHM CCCCN(C)c1ccc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736454427 598428476 /nfs/dbraw/zinc/42/84/76/598428476.db2.gz YUEMTTBCUHRWRE-HNNXBMFYSA-N -1 3 393.495 3.542 20 0 GHADHM CCCCN(C)c1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736453114 598428528 /nfs/dbraw/zinc/42/85/28/598428528.db2.gz MGBSPQPSDTXRSC-HNNXBMFYSA-N -1 3 393.495 3.542 20 0 GHADHM CCCCN(C)c1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736453114 598428530 /nfs/dbraw/zinc/42/85/30/598428530.db2.gz MGBSPQPSDTXRSC-HNNXBMFYSA-N -1 3 393.495 3.542 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)NC1CCC1 ZINC000738171583 598432043 /nfs/dbraw/zinc/43/20/43/598432043.db2.gz GRFZRPUCSZYKGA-UHFFFAOYSA-N -1 3 384.827 3.986 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)NC1CCC1 ZINC000738171583 598432044 /nfs/dbraw/zinc/43/20/44/598432044.db2.gz GRFZRPUCSZYKGA-UHFFFAOYSA-N -1 3 384.827 3.986 20 0 GHADHM COc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000737073476 598442767 /nfs/dbraw/zinc/44/27/67/598442767.db2.gz RSIZAPZOASZXGC-MRXNPFEDSA-N -1 3 393.491 3.664 20 0 GHADHM COc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000737073476 598442769 /nfs/dbraw/zinc/44/27/69/598442769.db2.gz RSIZAPZOASZXGC-MRXNPFEDSA-N -1 3 393.491 3.664 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736187215 598450253 /nfs/dbraw/zinc/45/02/53/598450253.db2.gz GLTCPHUSJCQOCB-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000736187215 598450255 /nfs/dbraw/zinc/45/02/55/598450255.db2.gz GLTCPHUSJCQOCB-SNVBAGLBSA-N -1 3 391.403 3.587 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736730608 598451264 /nfs/dbraw/zinc/45/12/64/598451264.db2.gz BCSQHUVHJXYSSG-ROUUACIJSA-N -1 3 387.418 3.926 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736730608 598451266 /nfs/dbraw/zinc/45/12/66/598451266.db2.gz BCSQHUVHJXYSSG-ROUUACIJSA-N -1 3 387.418 3.926 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112979 598469371 /nfs/dbraw/zinc/46/93/71/598469371.db2.gz LLFRRZBTSQIRCO-VQIMIIECSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112979 598469372 /nfs/dbraw/zinc/46/93/72/598469372.db2.gz LLFRRZBTSQIRCO-VQIMIIECSA-N -1 3 390.491 3.907 20 0 GHADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1Cl ZINC000737103987 598475027 /nfs/dbraw/zinc/47/50/27/598475027.db2.gz NOLHKKYRAQUTDB-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1Cl ZINC000737103987 598475028 /nfs/dbraw/zinc/47/50/28/598475028.db2.gz NOLHKKYRAQUTDB-UHFFFAOYSA-N -1 3 398.854 3.725 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000736636494 598476394 /nfs/dbraw/zinc/47/63/94/598476394.db2.gz KQHLHSDLHLVONY-AWEZNQCLSA-N -1 3 380.452 3.533 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000736636494 598476396 /nfs/dbraw/zinc/47/63/96/598476396.db2.gz KQHLHSDLHLVONY-AWEZNQCLSA-N -1 3 380.452 3.533 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1c(F)cccc1F ZINC000736113028 598477399 /nfs/dbraw/zinc/47/73/99/598477399.db2.gz WGEKGOQIPYSFOG-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1c(F)cccc1F ZINC000736113028 598477400 /nfs/dbraw/zinc/47/74/00/598477400.db2.gz WGEKGOQIPYSFOG-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccc(SC(F)F)c1 ZINC000738116612 598477680 /nfs/dbraw/zinc/47/76/80/598477680.db2.gz JQADWZLWKHIANT-UHFFFAOYSA-N -1 3 376.392 3.503 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccc(SC(F)F)c1 ZINC000738116612 598477682 /nfs/dbraw/zinc/47/76/82/598477682.db2.gz JQADWZLWKHIANT-UHFFFAOYSA-N -1 3 376.392 3.503 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cc(F)ccc1F ZINC000736113185 598477706 /nfs/dbraw/zinc/47/77/06/598477706.db2.gz XXABOHDQZBDCAD-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cc(F)ccc1F ZINC000736113185 598477708 /nfs/dbraw/zinc/47/77/08/598477708.db2.gz XXABOHDQZBDCAD-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736147100 598488347 /nfs/dbraw/zinc/48/83/47/598488347.db2.gz ANXDSOQLOCESCA-VMPCVLLUSA-N -1 3 377.429 3.794 20 0 GHADHM C[C@H](OC(=O)C=Cc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736147100 598488348 /nfs/dbraw/zinc/48/83/48/598488348.db2.gz ANXDSOQLOCESCA-VMPCVLLUSA-N -1 3 377.429 3.794 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000517681452 598493264 /nfs/dbraw/zinc/49/32/64/598493264.db2.gz UHCJSDNGBMNTHA-UHFFFAOYSA-N -1 3 375.476 3.847 20 0 GHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000517681452 598493265 /nfs/dbraw/zinc/49/32/65/598493265.db2.gz UHCJSDNGBMNTHA-UHFFFAOYSA-N -1 3 375.476 3.847 20 0 GHADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000737503807 598493814 /nfs/dbraw/zinc/49/38/14/598493814.db2.gz ZJCDUJYZMSQFDV-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM Cc1ncccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000737503807 598493816 /nfs/dbraw/zinc/49/38/16/598493816.db2.gz ZJCDUJYZMSQFDV-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM O=C(Cc1cccc(Cl)c1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000737966888 598495027 /nfs/dbraw/zinc/49/50/27/598495027.db2.gz KNULVZFABFUFJR-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(Cc1cccc(Cl)c1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000737966888 598495029 /nfs/dbraw/zinc/49/50/29/598495029.db2.gz KNULVZFABFUFJR-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738270690 598495551 /nfs/dbraw/zinc/49/55/51/598495551.db2.gz SYGPJFPPHKMCKF-OAQYLSRUSA-N -1 3 381.439 3.655 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000738270690 598495552 /nfs/dbraw/zinc/49/55/52/598495552.db2.gz SYGPJFPPHKMCKF-OAQYLSRUSA-N -1 3 381.439 3.655 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 ZINC000736679052 598497902 /nfs/dbraw/zinc/49/79/02/598497902.db2.gz JQYPEBQTYNMKDB-UHFFFAOYSA-N -1 3 386.868 3.807 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 ZINC000736679052 598497903 /nfs/dbraw/zinc/49/79/03/598497903.db2.gz JQYPEBQTYNMKDB-UHFFFAOYSA-N -1 3 386.868 3.807 20 0 GHADHM O=C(O[C@H]1CCSC1)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738219454 598511368 /nfs/dbraw/zinc/51/13/68/598511368.db2.gz KSKHHQMDHLDPAZ-HNNXBMFYSA-N -1 3 398.513 3.821 20 0 GHADHM O=C(O[C@H]1CCSC1)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738219454 598511370 /nfs/dbraw/zinc/51/13/70/598511370.db2.gz KSKHHQMDHLDPAZ-HNNXBMFYSA-N -1 3 398.513 3.821 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)nc2Cl)c1-c1nnn[n-]1 ZINC000736676309 598513989 /nfs/dbraw/zinc/51/39/89/598513989.db2.gz REZPAHRJXAIBDG-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)nc2Cl)c1-c1nn[n-]n1 ZINC000736676309 598513990 /nfs/dbraw/zinc/51/39/90/598513990.db2.gz REZPAHRJXAIBDG-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OCC2CC2)c1-c1nnn[n-]1 ZINC000736676950 598516337 /nfs/dbraw/zinc/51/63/37/598516337.db2.gz XALWUQOQJFGLBU-UHFFFAOYSA-N -1 3 383.477 3.840 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OCC2CC2)c1-c1nn[n-]n1 ZINC000736676950 598516339 /nfs/dbraw/zinc/51/63/39/598516339.db2.gz XALWUQOQJFGLBU-UHFFFAOYSA-N -1 3 383.477 3.840 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc3c(c2)CCCC3)c1-c1nnn[n-]1 ZINC000736675222 598517649 /nfs/dbraw/zinc/51/76/49/598517649.db2.gz GSLJOLCEBUILAI-UHFFFAOYSA-N -1 3 381.505 3.859 20 0 GHADHM CCc1c(C)sc(NC(=O)Cc2ccc3c(c2)CCCC3)c1-c1nn[n-]n1 ZINC000736675222 598517651 /nfs/dbraw/zinc/51/76/51/598517651.db2.gz GSLJOLCEBUILAI-UHFFFAOYSA-N -1 3 381.505 3.859 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(Cl)c(Cl)c2)c1-c1nnn[n-]1 ZINC000736676313 598517734 /nfs/dbraw/zinc/51/77/34/598517734.db2.gz RJFRCSNUXSOADF-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(Cl)c(Cl)c2)c1-c1nn[n-]n1 ZINC000736676313 598517735 /nfs/dbraw/zinc/51/77/35/598517735.db2.gz RJFRCSNUXSOADF-UHFFFAOYSA-N -1 3 383.264 3.753 20 0 GHADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000736239822 598532361 /nfs/dbraw/zinc/53/23/61/598532361.db2.gz UHGQHZCMNOKLPN-MEBBXXQBSA-N -1 3 384.827 3.842 20 0 GHADHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000736239822 598532362 /nfs/dbraw/zinc/53/23/62/598532362.db2.gz UHGQHZCMNOKLPN-MEBBXXQBSA-N -1 3 384.827 3.842 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1cscn1)c1ccccc1 ZINC000737796220 598534802 /nfs/dbraw/zinc/53/48/02/598534802.db2.gz FFTPSUKCIWQZIL-ZHACJKMWSA-N -1 3 388.456 3.570 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1cscn1)c1ccccc1 ZINC000737796220 598534804 /nfs/dbraw/zinc/53/48/04/598534804.db2.gz FFTPSUKCIWQZIL-ZHACJKMWSA-N -1 3 388.456 3.570 20 0 GHADHM CCCCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736441521 598543673 /nfs/dbraw/zinc/54/36/73/598543673.db2.gz RICVNBFIHUFJSO-IBGZPJMESA-N -1 3 379.464 3.683 20 0 GHADHM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735796030 598549255 /nfs/dbraw/zinc/54/92/55/598549255.db2.gz QUBVMUVMYHDGGE-INIZCTEOSA-N -1 3 395.463 3.689 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccccc1F ZINC000735569146 598551066 /nfs/dbraw/zinc/55/10/66/598551066.db2.gz FPORVEHMYFFNQC-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccccc1F ZINC000735569146 598551068 /nfs/dbraw/zinc/55/10/68/598551068.db2.gz FPORVEHMYFFNQC-LLVKDONJSA-N -1 3 394.435 3.872 20 0 GHADHM Cc1nc(C)c(F)c(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737475050 598551363 /nfs/dbraw/zinc/55/13/63/598551363.db2.gz ZENLBNXTVVXAHA-UHFFFAOYSA-N -1 3 391.410 3.735 20 0 GHADHM Cc1nc(C)c(F)c(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737475050 598551365 /nfs/dbraw/zinc/55/13/65/598551365.db2.gz ZENLBNXTVVXAHA-UHFFFAOYSA-N -1 3 391.410 3.735 20 0 GHADHM Cc1cc(F)cc2c1N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737261869 598554281 /nfs/dbraw/zinc/55/42/81/598554281.db2.gz BNFOPQLNYYOECS-UHFFFAOYSA-N -1 3 397.479 3.527 20 0 GHADHM Cc1cc(F)cc2c1N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737261869 598554282 /nfs/dbraw/zinc/55/42/82/598554282.db2.gz BNFOPQLNYYOECS-UHFFFAOYSA-N -1 3 397.479 3.527 20 0 GHADHM Cc1csc(CNCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737452460 598561882 /nfs/dbraw/zinc/56/18/82/598561882.db2.gz KRMWPDMXUHYYPB-UHFFFAOYSA-N -1 3 392.488 3.500 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCS1 ZINC000736278052 598565053 /nfs/dbraw/zinc/56/50/53/598565053.db2.gz DDPXPNWQLQJMNK-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCS1 ZINC000736278052 598565056 /nfs/dbraw/zinc/56/50/56/598565056.db2.gz DDPXPNWQLQJMNK-ZDUSSCGKSA-N -1 3 396.476 3.628 20 0 GHADHM CCN(C(=O)CNc1cccc(Cl)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504598 598565137 /nfs/dbraw/zinc/56/51/37/598565137.db2.gz GRXOSKAIYKUVGT-ZDUSSCGKSA-N -1 3 384.871 3.542 20 0 GHADHM CCN(C(=O)CNc1cccc(Cl)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504598 598565138 /nfs/dbraw/zinc/56/51/38/598565138.db2.gz GRXOSKAIYKUVGT-ZDUSSCGKSA-N -1 3 384.871 3.542 20 0 GHADHM CCOCCN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736620505 598565313 /nfs/dbraw/zinc/56/53/13/598565313.db2.gz WAVIXMGUISRFRF-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM CCOCCN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736620505 598565314 /nfs/dbraw/zinc/56/53/14/598565314.db2.gz WAVIXMGUISRFRF-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM CCOCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736610611 598565355 /nfs/dbraw/zinc/56/53/55/598565355.db2.gz JIMSCJPLZLRZBY-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM CCOCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736610611 598565356 /nfs/dbraw/zinc/56/53/56/598565356.db2.gz JIMSCJPLZLRZBY-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162934 598569360 /nfs/dbraw/zinc/56/93/60/598569360.db2.gz IEIRPKHAPJGQOZ-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162934 598569361 /nfs/dbraw/zinc/56/93/61/598569361.db2.gz IEIRPKHAPJGQOZ-GHMZBOCLSA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000738165899 598599417 /nfs/dbraw/zinc/59/94/17/598599417.db2.gz GHDOFBKGEYCITN-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000738165899 598599419 /nfs/dbraw/zinc/59/94/19/598599419.db2.gz GHDOFBKGEYCITN-UHFFFAOYSA-N -1 3 399.389 3.597 20 0 GHADHM Clc1cccc(Cl)c1-c1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737576074 598609336 /nfs/dbraw/zinc/60/93/36/598609336.db2.gz TTYDLCFAQGVZQH-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(Cl)c1-c1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737576074 598609338 /nfs/dbraw/zinc/60/93/38/598609338.db2.gz TTYDLCFAQGVZQH-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM c1ccc(CCCc2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738428207 598612006 /nfs/dbraw/zinc/61/20/06/598612006.db2.gz MELKXXQRKDSVIA-UHFFFAOYSA-N -1 3 392.488 3.858 20 0 GHADHM c1ccc(CCCc2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738428207 598612007 /nfs/dbraw/zinc/61/20/07/598612007.db2.gz MELKXXQRKDSVIA-UHFFFAOYSA-N -1 3 392.488 3.858 20 0 GHADHM c1cn(Cc2ccccc2)c(Cc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)n1 ZINC000738436065 598616673 /nfs/dbraw/zinc/61/66/73/598616673.db2.gz NJUXMSQDGIGBBN-UHFFFAOYSA-N -1 3 399.483 3.826 20 0 GHADHM c1cn(Cc2ccccc2)c(Cc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)n1 ZINC000738436065 598616674 /nfs/dbraw/zinc/61/66/74/598616674.db2.gz NJUXMSQDGIGBBN-UHFFFAOYSA-N -1 3 399.483 3.826 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736635381 598632168 /nfs/dbraw/zinc/63/21/68/598632168.db2.gz BDGNHIDVZNUGBW-SFHVURJKSA-N -1 3 396.426 3.774 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736635381 598632171 /nfs/dbraw/zinc/63/21/71/598632171.db2.gz BDGNHIDVZNUGBW-SFHVURJKSA-N -1 3 396.426 3.774 20 0 GHADHM CCC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736424708 598633771 /nfs/dbraw/zinc/63/37/71/598633771.db2.gz ROSTZZBWGBNJIE-ZDUSSCGKSA-N -1 3 398.442 3.895 20 0 GHADHM CCC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736424708 598633773 /nfs/dbraw/zinc/63/37/73/598633773.db2.gz ROSTZZBWGBNJIE-ZDUSSCGKSA-N -1 3 398.442 3.895 20 0 GHADHM CCC(CC)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736345828 598633784 /nfs/dbraw/zinc/63/37/84/598633784.db2.gz MCLOJFUELJZCRZ-UHFFFAOYSA-N -1 3 398.442 3.895 20 0 GHADHM CCC(CC)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736345828 598633786 /nfs/dbraw/zinc/63/37/86/598633786.db2.gz MCLOJFUELJZCRZ-UHFFFAOYSA-N -1 3 398.442 3.895 20 0 GHADHM CCCCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000736451780 598634248 /nfs/dbraw/zinc/63/42/48/598634248.db2.gz QSVRQFQKEOMTTR-UHFFFAOYSA-N -1 3 398.442 3.897 20 0 GHADHM CCCCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000736451780 598634251 /nfs/dbraw/zinc/63/42/51/598634251.db2.gz QSVRQFQKEOMTTR-UHFFFAOYSA-N -1 3 398.442 3.897 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736158030 598646378 /nfs/dbraw/zinc/64/63/78/598646378.db2.gz OFBNLTOSVHHXCF-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736158030 598646379 /nfs/dbraw/zinc/64/63/79/598646379.db2.gz OFBNLTOSVHHXCF-AWEZNQCLSA-N -1 3 387.399 3.972 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCCC1 ZINC000736509314 598647807 /nfs/dbraw/zinc/64/78/07/598647807.db2.gz UPNRNMVIUIFMQV-UHFFFAOYSA-N -1 3 392.463 3.849 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCCC1 ZINC000736509314 598647809 /nfs/dbraw/zinc/64/78/09/598647809.db2.gz UPNRNMVIUIFMQV-UHFFFAOYSA-N -1 3 392.463 3.849 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1ccc(Cl)cc1F ZINC000737840929 598649400 /nfs/dbraw/zinc/64/94/00/598649400.db2.gz FPQAEFRGFMBSFM-UHFFFAOYSA-N -1 3 390.802 3.814 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1ccc(Cl)cc1F ZINC000737840929 598649401 /nfs/dbraw/zinc/64/94/01/598649401.db2.gz FPQAEFRGFMBSFM-UHFFFAOYSA-N -1 3 390.802 3.814 20 0 GHADHM CCC1CCC(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736394243 598649946 /nfs/dbraw/zinc/64/99/46/598649946.db2.gz ASOPDNSQMYBNHK-UHFFFAOYSA-N -1 3 392.463 3.753 20 0 GHADHM CCC1CCC(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736394243 598649947 /nfs/dbraw/zinc/64/99/47/598649947.db2.gz ASOPDNSQMYBNHK-UHFFFAOYSA-N -1 3 392.463 3.753 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc2S1 ZINC000736277253 598650071 /nfs/dbraw/zinc/65/00/71/598650071.db2.gz LVHZSDMNWUTLDG-ZDUSSCGKSA-N -1 3 397.529 3.876 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc2S1 ZINC000736277253 598650072 /nfs/dbraw/zinc/65/00/72/598650072.db2.gz LVHZSDMNWUTLDG-ZDUSSCGKSA-N -1 3 397.529 3.876 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737320543 598650527 /nfs/dbraw/zinc/65/05/27/598650527.db2.gz MVMQFQXXISXSDK-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737320543 598650528 /nfs/dbraw/zinc/65/05/28/598650528.db2.gz MVMQFQXXISXSDK-QGZVFWFLSA-N -1 3 393.491 3.910 20 0 GHADHM C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736096579 598651877 /nfs/dbraw/zinc/65/18/77/598651877.db2.gz ACSOSAIJFYQEIR-BLLLJJGKSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736096579 598651879 /nfs/dbraw/zinc/65/18/79/598651879.db2.gz ACSOSAIJFYQEIR-BLLLJJGKSA-N -1 3 389.381 3.780 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000736504142 598651942 /nfs/dbraw/zinc/65/19/42/598651942.db2.gz ADQABQFHTUHQFO-AWEZNQCLSA-N -1 3 397.504 3.577 20 0 GHADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000736504142 598651944 /nfs/dbraw/zinc/65/19/44/598651944.db2.gz ADQABQFHTUHQFO-AWEZNQCLSA-N -1 3 397.504 3.577 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736201095 598652127 /nfs/dbraw/zinc/65/21/27/598652127.db2.gz GMOQZRNFJHTCJK-CQSZACIVSA-N -1 3 379.489 3.711 20 0 GHADHM C[C@H](c1ccccc1)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736201095 598652129 /nfs/dbraw/zinc/65/21/29/598652129.db2.gz GMOQZRNFJHTCJK-CQSZACIVSA-N -1 3 379.489 3.711 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cnn2ccccc12 ZINC000738173354 598655909 /nfs/dbraw/zinc/65/59/09/598655909.db2.gz OYXNSVNBDPCTOY-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM Cc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC000737419652 598657775 /nfs/dbraw/zinc/65/77/75/598657775.db2.gz FUSRRKBURGNRTH-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM Cc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC000737419652 598657776 /nfs/dbraw/zinc/65/77/76/598657776.db2.gz FUSRRKBURGNRTH-UHFFFAOYSA-N -1 3 383.883 3.989 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCCc2ccccc21 ZINC000737943672 598659283 /nfs/dbraw/zinc/65/92/83/598659283.db2.gz UOBGORNYBHLALI-GOSISDBHSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCCc2ccccc21 ZINC000737943672 598659285 /nfs/dbraw/zinc/65/92/85/598659285.db2.gz UOBGORNYBHLALI-GOSISDBHSA-N -1 3 379.489 3.543 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737798791 598660107 /nfs/dbraw/zinc/66/01/07/598660107.db2.gz VEAYFSXFMGAURW-KXFIGUGUSA-N -1 3 394.744 3.586 20 0 GHADHM O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737798791 598660108 /nfs/dbraw/zinc/66/01/08/598660108.db2.gz VEAYFSXFMGAURW-KXFIGUGUSA-N -1 3 394.744 3.586 20 0 GHADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735752218 598663812 /nfs/dbraw/zinc/66/38/12/598663812.db2.gz ZBXRFKJKMSWAQZ-OALUTQOASA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735752218 598663814 /nfs/dbraw/zinc/66/38/14/598663814.db2.gz ZBXRFKJKMSWAQZ-OALUTQOASA-N -1 3 385.512 3.747 20 0 GHADHM COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)sc2C)cc1 ZINC000737055416 598664100 /nfs/dbraw/zinc/66/41/00/598664100.db2.gz NPJPNADKHGCBSC-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)sc2C)cc1 ZINC000737055416 598664102 /nfs/dbraw/zinc/66/41/02/598664102.db2.gz NPJPNADKHGCBSC-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM CSCc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737185695 598665254 /nfs/dbraw/zinc/66/52/54/598665254.db2.gz BJQAFTMQPNQZOC-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM CSCc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737185695 598665255 /nfs/dbraw/zinc/66/52/55/598665255.db2.gz BJQAFTMQPNQZOC-UHFFFAOYSA-N -1 3 397.504 3.918 20 0 GHADHM Cc1cccc(-c2noc(CSCc3ccc(F)cc3-c3nnn[n-]3)n2)c1 ZINC000737379181 598696629 /nfs/dbraw/zinc/69/66/29/598696629.db2.gz DSNCSFUKMLESJN-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1cccc(-c2noc(CSCc3ccc(F)cc3-c3nn[n-]n3)n2)c1 ZINC000737379181 598696631 /nfs/dbraw/zinc/69/66/31/598696631.db2.gz DSNCSFUKMLESJN-UHFFFAOYSA-N -1 3 382.424 3.798 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737319704 598698124 /nfs/dbraw/zinc/69/81/24/598698124.db2.gz GCUHDKBWUPJTCY-CQSZACIVSA-N -1 3 399.495 3.733 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737319704 598698125 /nfs/dbraw/zinc/69/81/25/598698125.db2.gz GCUHDKBWUPJTCY-CQSZACIVSA-N -1 3 399.495 3.733 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc2nc(Cl)ccc2c1 ZINC000738235016 598708800 /nfs/dbraw/zinc/70/88/00/598708800.db2.gz KITALKAUACKEMM-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc2nc(Cl)ccc2c1 ZINC000738235016 598708802 /nfs/dbraw/zinc/70/88/02/598708802.db2.gz KITALKAUACKEMM-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCCC1 ZINC000736223454 598724535 /nfs/dbraw/zinc/72/45/35/598724535.db2.gz NLUFSVHAFZYHAV-UHFFFAOYSA-N -1 3 379.424 3.508 20 0 GHADHM CC1(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCCC1 ZINC000736223454 598724537 /nfs/dbraw/zinc/72/45/37/598724537.db2.gz NLUFSVHAFZYHAV-UHFFFAOYSA-N -1 3 379.424 3.508 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000737291758 598725543 /nfs/dbraw/zinc/72/55/43/598725543.db2.gz OPSCCJQVBWWYAX-UHFFFAOYSA-N -1 3 384.390 3.650 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000737291758 598725544 /nfs/dbraw/zinc/72/55/44/598725544.db2.gz OPSCCJQVBWWYAX-UHFFFAOYSA-N -1 3 384.390 3.650 20 0 GHADHM C[C@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)(C)C ZINC000735974586 598745255 /nfs/dbraw/zinc/74/52/55/598745255.db2.gz LTHPEWBFCBLMMK-OAHLLOKOSA-N -1 3 385.512 3.699 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737795724 598753863 /nfs/dbraw/zinc/75/38/63/598753863.db2.gz LGOMCYVZCPMHAS-BCTAIJSYSA-N -1 3 391.431 3.580 20 0 GHADHM O=C(/C=C/C1CCOCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737795724 598753865 /nfs/dbraw/zinc/75/38/65/598753865.db2.gz LGOMCYVZCPMHAS-BCTAIJSYSA-N -1 3 391.431 3.580 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736354087 598763198 /nfs/dbraw/zinc/76/31/98/598763198.db2.gz QMSQSDJYEOYIJH-LJQANCHMSA-N -1 3 377.492 3.873 20 0 GHADHM CC[C@H](Cc1ccccc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736354087 598763199 /nfs/dbraw/zinc/76/31/99/598763199.db2.gz QMSQSDJYEOYIJH-LJQANCHMSA-N -1 3 377.492 3.873 20 0 GHADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)o1 ZINC000737192983 598763429 /nfs/dbraw/zinc/76/34/29/598763429.db2.gz NSXLNKFISDMTMN-UHFFFAOYSA-N -1 3 375.479 3.764 20 0 GHADHM CSc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)o1 ZINC000737192983 598763431 /nfs/dbraw/zinc/76/34/31/598763431.db2.gz NSXLNKFISDMTMN-UHFFFAOYSA-N -1 3 375.479 3.764 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737423409 598764819 /nfs/dbraw/zinc/76/48/19/598764819.db2.gz RGZWLCVBPCVRMD-FQEVSTJZSA-N -1 3 393.516 3.676 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737423409 598764821 /nfs/dbraw/zinc/76/48/21/598764821.db2.gz RGZWLCVBPCVRMD-FQEVSTJZSA-N -1 3 393.516 3.676 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736665873 598777324 /nfs/dbraw/zinc/77/73/24/598777324.db2.gz IDKYNIIFOXHWGY-CQSZACIVSA-N -1 3 396.520 3.881 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736665873 598777326 /nfs/dbraw/zinc/77/73/26/598777326.db2.gz IDKYNIIFOXHWGY-CQSZACIVSA-N -1 3 396.520 3.881 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCC[C@@H](C)C3)c2-c2nnn[n-]2)C1 ZINC000736281331 598789558 /nfs/dbraw/zinc/78/95/58/598789558.db2.gz VEOSPTIKCYATGS-JHJVBQTASA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CO[C@@H]3CCC[C@@H](C)C3)c2-c2nn[n-]n2)C1 ZINC000736281331 598789560 /nfs/dbraw/zinc/78/95/60/598789560.db2.gz VEOSPTIKCYATGS-JHJVBQTASA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000736259683 598789849 /nfs/dbraw/zinc/78/98/49/598789849.db2.gz GBGGQPNNCXQURL-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000736259683 598789850 /nfs/dbraw/zinc/78/98/50/598789850.db2.gz GBGGQPNNCXQURL-IUODEOHRSA-N -1 3 398.492 3.524 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CCSCC1 ZINC000738176335 598791963 /nfs/dbraw/zinc/79/19/63/598791963.db2.gz ZJDJQKLFPAVXRI-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CCSCC1 ZINC000738176335 598791965 /nfs/dbraw/zinc/79/19/65/598791965.db2.gz ZJDJQKLFPAVXRI-UHFFFAOYSA-N -1 3 381.461 3.741 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000736461499 598792842 /nfs/dbraw/zinc/79/28/42/598792842.db2.gz SDGCIPDCXGWINP-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM CCCCNC(=O)c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000736461499 598792844 /nfs/dbraw/zinc/79/28/44/598792844.db2.gz SDGCIPDCXGWINP-UHFFFAOYSA-N -1 3 384.871 3.662 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111352 598799824 /nfs/dbraw/zinc/79/98/24/598799824.db2.gz DDWVIMBWUVKGLZ-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111352 598799826 /nfs/dbraw/zinc/79/98/26/598799826.db2.gz DDWVIMBWUVKGLZ-KUHUBIRLSA-N -1 3 376.464 3.768 20 0 GHADHM C[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735975459 598805894 /nfs/dbraw/zinc/80/58/94/598805894.db2.gz GYUYDDJTEOGAJU-AWEZNQCLSA-N -1 3 379.468 3.597 20 0 GHADHM CC(C)(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648189 598806034 /nfs/dbraw/zinc/80/60/34/598806034.db2.gz OUFSIBCKEBFGFA-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CCOc1cccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821431223 607367510 /nfs/dbraw/zinc/36/75/10/607367510.db2.gz MXYBVQMYJRLJDB-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM CCOc1cccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821431223 607367511 /nfs/dbraw/zinc/36/75/11/607367511.db2.gz MXYBVQMYJRLJDB-UHFFFAOYSA-N -1 3 398.492 3.862 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736422737 598822349 /nfs/dbraw/zinc/82/23/49/598822349.db2.gz OSLQFSWWCSHTNK-FQEVSTJZSA-N -1 3 399.539 3.838 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736422737 598822350 /nfs/dbraw/zinc/82/23/50/598822350.db2.gz OSLQFSWWCSHTNK-FQEVSTJZSA-N -1 3 399.539 3.838 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502336 599310861 /nfs/dbraw/zinc/31/08/61/599310861.db2.gz LYGKEAHMHJKCKH-HNNXBMFYSA-N -1 3 393.491 3.985 20 0 GHADHM CCN(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502336 599310863 /nfs/dbraw/zinc/31/08/63/599310863.db2.gz LYGKEAHMHJKCKH-HNNXBMFYSA-N -1 3 393.491 3.985 20 0 GHADHM O=C([C@@H]1C[C@]12CCCc1ccccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822916781 599311585 /nfs/dbraw/zinc/31/15/85/599311585.db2.gz DBKBSOKXYFJICM-URXFXBBRSA-N -1 3 399.498 3.652 20 0 GHADHM O=C([C@@H]1C[C@]12CCCc1ccccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822916781 599311587 /nfs/dbraw/zinc/31/15/87/599311587.db2.gz DBKBSOKXYFJICM-URXFXBBRSA-N -1 3 399.498 3.652 20 0 GHADHM C[C@H](SCc1csc(-c2cnn(C)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189211 599326107 /nfs/dbraw/zinc/32/61/07/599326107.db2.gz BJJPSBWZCNVSNP-NSHDSACASA-N -1 3 383.506 3.718 20 0 GHADHM C[C@H](SCc1csc(-c2cnn(C)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189211 599326110 /nfs/dbraw/zinc/32/61/10/599326110.db2.gz BJJPSBWZCNVSNP-NSHDSACASA-N -1 3 383.506 3.718 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000736187443 599327806 /nfs/dbraw/zinc/32/78/06/599327806.db2.gz ASSMVOLHUUPASX-LSDHHAIUSA-N -1 3 393.516 3.634 20 0 GHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000736187443 599327808 /nfs/dbraw/zinc/32/78/08/599327808.db2.gz ASSMVOLHUUPASX-LSDHHAIUSA-N -1 3 393.516 3.634 20 0 GHADHM C[C@@H](SCC(=O)N[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191069 599328689 /nfs/dbraw/zinc/32/86/89/599328689.db2.gz VQLZQCSQXJFKPJ-KUHUBIRLSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@@H](SCC(=O)N[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191069 599328692 /nfs/dbraw/zinc/32/86/92/599328692.db2.gz VQLZQCSQXJFKPJ-KUHUBIRLSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@H](SCC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191067 599328717 /nfs/dbraw/zinc/32/87/17/599328717.db2.gz VQLZQCSQXJFKPJ-IFXJQAMLSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@H](SCC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191067 599328720 /nfs/dbraw/zinc/32/87/20/599328720.db2.gz VQLZQCSQXJFKPJ-IFXJQAMLSA-N -1 3 393.516 3.855 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737102059 599331458 /nfs/dbraw/zinc/33/14/58/599331458.db2.gz LRJSPPZCRCRDRZ-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccc(NC(=O)[C@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737102059 599331459 /nfs/dbraw/zinc/33/14/59/599331459.db2.gz LRJSPPZCRCRDRZ-STQMWFEESA-N -1 3 383.477 3.697 20 0 GHADHM C[C@@H](SCC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192305 599333215 /nfs/dbraw/zinc/33/32/15/599333215.db2.gz XVKIFVXYKJLBIX-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@@H](SCC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192305 599333219 /nfs/dbraw/zinc/33/32/19/599333219.db2.gz XVKIFVXYKJLBIX-GFCCVEGCSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](SCC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192307 599333357 /nfs/dbraw/zinc/33/33/57/599333357.db2.gz XVKIFVXYKJLBIX-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](SCC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192307 599333360 /nfs/dbraw/zinc/33/33/60/599333360.db2.gz XVKIFVXYKJLBIX-LBPRGKRZSA-N -1 3 387.896 3.631 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000820557316 599342214 /nfs/dbraw/zinc/34/22/14/599342214.db2.gz YGGOXIWWELNZDQ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1Cl ZINC000820557316 599342217 /nfs/dbraw/zinc/34/22/17/599342217.db2.gz YGGOXIWWELNZDQ-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820555836 599347554 /nfs/dbraw/zinc/34/75/54/599347554.db2.gz QAFOXGFQWAYYTJ-TZMCWYRMSA-N -1 3 385.518 3.773 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000820555836 599347557 /nfs/dbraw/zinc/34/75/57/599347557.db2.gz QAFOXGFQWAYYTJ-TZMCWYRMSA-N -1 3 385.518 3.773 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822207097 599347887 /nfs/dbraw/zinc/34/78/87/599347887.db2.gz KOJXOCBEDPUHEO-UHFFFAOYSA-N -1 3 394.504 3.506 20 0 GHADHM Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822207097 599347889 /nfs/dbraw/zinc/34/78/89/599347889.db2.gz KOJXOCBEDPUHEO-UHFFFAOYSA-N -1 3 394.504 3.506 20 0 GHADHM CCCCOc1ccc(OC)cc1NCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821077794 607370516 /nfs/dbraw/zinc/37/05/16/607370516.db2.gz UBDZWIZNXYPORL-UHFFFAOYSA-N -1 3 383.452 3.675 20 0 GHADHM CCCCOc1ccc(OC)cc1NCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821077794 607370518 /nfs/dbraw/zinc/37/05/18/607370518.db2.gz UBDZWIZNXYPORL-UHFFFAOYSA-N -1 3 383.452 3.675 20 0 GHADHM C[C@@H](Nc1ncnc2ccc(Br)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820461310 599356738 /nfs/dbraw/zinc/35/67/38/599356738.db2.gz HALYCVMPLYYFPV-SNVBAGLBSA-N -1 3 396.252 3.746 20 0 GHADHM C[C@@H](Nc1ncnc2ccc(Br)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820461310 599356742 /nfs/dbraw/zinc/35/67/42/599356742.db2.gz HALYCVMPLYYFPV-SNVBAGLBSA-N -1 3 396.252 3.746 20 0 GHADHM CSCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737181015 599372611 /nfs/dbraw/zinc/37/26/11/599372611.db2.gz JLUWCNANMRRTRS-UHFFFAOYSA-N -1 3 399.495 3.678 20 0 GHADHM CSCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737181015 599372614 /nfs/dbraw/zinc/37/26/14/599372614.db2.gz JLUWCNANMRRTRS-UHFFFAOYSA-N -1 3 399.495 3.678 20 0 GHADHM CCC[C@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)OCC ZINC000821020509 599376694 /nfs/dbraw/zinc/37/66/94/599376694.db2.gz CHDZQJMNHZUINE-SFHVURJKSA-N -1 3 381.436 3.803 20 0 GHADHM CCC[C@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OCC ZINC000821020509 599376695 /nfs/dbraw/zinc/37/66/95/599376695.db2.gz CHDZQJMNHZUINE-SFHVURJKSA-N -1 3 381.436 3.803 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000820351410 599401259 /nfs/dbraw/zinc/40/12/59/599401259.db2.gz OLDGPHDOAGHZMN-LSDHHAIUSA-N -1 3 390.491 3.867 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2 ZINC000820351410 599401260 /nfs/dbraw/zinc/40/12/60/599401260.db2.gz OLDGPHDOAGHZMN-LSDHHAIUSA-N -1 3 390.491 3.867 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1N1CCCCCC1 ZINC000821737277 607369274 /nfs/dbraw/zinc/36/92/74/607369274.db2.gz UAIRBMAZNRFPMI-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1N1CCCCCC1 ZINC000821737277 607369276 /nfs/dbraw/zinc/36/92/76/607369276.db2.gz UAIRBMAZNRFPMI-UHFFFAOYSA-N -1 3 378.480 3.868 20 0 GHADHM CCOc1ccc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)cc1 ZINC000821417033 599408888 /nfs/dbraw/zinc/40/88/88/599408888.db2.gz HEWGNESLXSHWDC-FQEVSTJZSA-N -1 3 375.432 3.738 20 0 GHADHM CCOc1ccc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)cc1 ZINC000821417033 599408890 /nfs/dbraw/zinc/40/88/90/599408890.db2.gz HEWGNESLXSHWDC-FQEVSTJZSA-N -1 3 375.432 3.738 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820356608 599422632 /nfs/dbraw/zinc/42/26/32/599422632.db2.gz AKINUZWTJONSOO-DIFFPNOSSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820356608 599422634 /nfs/dbraw/zinc/42/26/34/599422634.db2.gz AKINUZWTJONSOO-DIFFPNOSSA-N -1 3 382.855 3.568 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(Cl)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820373877 599425049 /nfs/dbraw/zinc/42/50/49/599425049.db2.gz KRZLGGXQMWOGFH-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820373877 599425050 /nfs/dbraw/zinc/42/50/50/599425050.db2.gz KRZLGGXQMWOGFH-SNVBAGLBSA-N -1 3 391.262 3.734 20 0 GHADHM c1ccc2c(c1)nc(NCCCOc1cccc3cccnc31)cc2-c1nnn[n-]1 ZINC000738445081 599435838 /nfs/dbraw/zinc/43/58/38/599435838.db2.gz CWASVBRAMOQEAR-UHFFFAOYSA-N -1 3 397.442 3.844 20 0 GHADHM c1ccc2c(c1)nc(NCCCOc1cccc3cccnc31)cc2-c1nn[n-]n1 ZINC000738445081 599435840 /nfs/dbraw/zinc/43/58/40/599435840.db2.gz CWASVBRAMOQEAR-UHFFFAOYSA-N -1 3 397.442 3.844 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)c1 ZINC000737137702 599440021 /nfs/dbraw/zinc/44/00/21/599440021.db2.gz CZFNDWSYOQSWAM-AWEZNQCLSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@H](Nc3cc(Cl)ccc3-c3nn[n-]n3)C2)c1 ZINC000737137702 599440024 /nfs/dbraw/zinc/44/00/24/599440024.db2.gz CZFNDWSYOQSWAM-AWEZNQCLSA-N -1 3 384.871 3.610 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821023092 599446272 /nfs/dbraw/zinc/44/62/72/599446272.db2.gz WCEHITLFOXBDFQ-GOSISDBHSA-N -1 3 396.470 3.607 20 0 GHADHM CCC[C@H](CCc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821023092 599446274 /nfs/dbraw/zinc/44/62/74/599446274.db2.gz WCEHITLFOXBDFQ-GOSISDBHSA-N -1 3 396.470 3.607 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820563147 599460649 /nfs/dbraw/zinc/46/06/49/599460649.db2.gz OOVOXJDEACFPNG-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820563147 599460650 /nfs/dbraw/zinc/46/06/50/599460650.db2.gz OOVOXJDEACFPNG-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824114139 607380611 /nfs/dbraw/zinc/38/06/11/607380611.db2.gz KIWQAQGGWBUFLT-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824114139 607380613 /nfs/dbraw/zinc/38/06/13/607380613.db2.gz KIWQAQGGWBUFLT-UHFFFAOYSA-N -1 3 395.419 3.571 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736634478 599465945 /nfs/dbraw/zinc/46/59/45/599465945.db2.gz HNUBUXXHIFYDPK-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736634478 599465947 /nfs/dbraw/zinc/46/59/47/599465947.db2.gz HNUBUXXHIFYDPK-UHFFFAOYSA-N -1 3 385.855 3.835 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1 ZINC000820921259 599466277 /nfs/dbraw/zinc/46/62/77/599466277.db2.gz XONFMFHBDOILAK-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1 ZINC000820921259 599466279 /nfs/dbraw/zinc/46/62/79/599466279.db2.gz XONFMFHBDOILAK-MRXNPFEDSA-N -1 3 388.834 3.610 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736236658 599472425 /nfs/dbraw/zinc/47/24/25/599472425.db2.gz SQSNBRANDCEFGB-CMPLNLGQSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736236658 599472426 /nfs/dbraw/zinc/47/24/26/599472426.db2.gz SQSNBRANDCEFGB-CMPLNLGQSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348119 599477977 /nfs/dbraw/zinc/47/79/77/599477977.db2.gz AAUNDXNFCQIHDN-SCLBCKFNSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348119 599477980 /nfs/dbraw/zinc/47/79/80/599477980.db2.gz AAUNDXNFCQIHDN-SCLBCKFNSA-N -1 3 380.427 3.614 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820920368 599479337 /nfs/dbraw/zinc/47/93/37/599479337.db2.gz PJKXONLCXCTVLG-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820920368 599479339 /nfs/dbraw/zinc/47/93/39/599479339.db2.gz PJKXONLCXCTVLG-APPDUMDISA-N -1 3 386.406 3.656 20 0 GHADHM CCO[C@@H](C)c1nc(CSCCOc2ccccc2-c2nnn[n-]2)cs1 ZINC000736616355 599480556 /nfs/dbraw/zinc/48/05/56/599480556.db2.gz NWMCMKZRTKTFMN-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM CCO[C@@H](C)c1nc(CSCCOc2ccccc2-c2nn[n-]n2)cs1 ZINC000736616355 599480559 /nfs/dbraw/zinc/48/05/59/599480559.db2.gz NWMCMKZRTKTFMN-LBPRGKRZSA-N -1 3 391.522 3.733 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820339275 599482284 /nfs/dbraw/zinc/48/22/84/599482284.db2.gz BAPVFXCQTWFLME-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820339275 599482285 /nfs/dbraw/zinc/48/22/85/599482285.db2.gz BAPVFXCQTWFLME-ZDUSSCGKSA-N -1 3 392.488 3.984 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820341818 599484635 /nfs/dbraw/zinc/48/46/35/599484635.db2.gz RTNGCJDZJUWDHN-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820341818 599484637 /nfs/dbraw/zinc/48/46/37/599484637.db2.gz RTNGCJDZJUWDHN-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112833 599492327 /nfs/dbraw/zinc/49/23/27/599492327.db2.gz VFMNCGZYCHQHFB-GLJUWKHASA-N -1 3 394.454 3.654 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112833 599492331 /nfs/dbraw/zinc/49/23/31/599492331.db2.gz VFMNCGZYCHQHFB-GLJUWKHASA-N -1 3 394.454 3.654 20 0 GHADHM Cc1cc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000822206818 599495594 /nfs/dbraw/zinc/49/55/94/599495594.db2.gz AGCBGYLBJGAYDR-NSHDSACASA-N -1 3 391.353 3.600 20 0 GHADHM COc1ccc(C2(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000821782723 599502409 /nfs/dbraw/zinc/50/24/09/599502409.db2.gz LRWGUEWUAJTGIO-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM COc1ccc(C2(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000821782723 599502412 /nfs/dbraw/zinc/50/24/12/599502412.db2.gz LRWGUEWUAJTGIO-OAHLLOKOSA-N -1 3 391.475 3.565 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N[C@H]1CC=CCC1 ZINC000738174453 599505449 /nfs/dbraw/zinc/50/54/49/599505449.db2.gz ZLQPVLSVMYFFKO-HNNXBMFYSA-N -1 3 376.420 3.889 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N[C@H]1CC=CCC1 ZINC000738174453 599505453 /nfs/dbraw/zinc/50/54/53/599505453.db2.gz ZLQPVLSVMYFFKO-HNNXBMFYSA-N -1 3 376.420 3.889 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820235963 607381796 /nfs/dbraw/zinc/38/17/96/607381796.db2.gz VQWIYBNIHOJUKH-BZNIZROVSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820235963 607381799 /nfs/dbraw/zinc/38/17/99/607381799.db2.gz VQWIYBNIHOJUKH-BZNIZROVSA-N -1 3 377.370 3.810 20 0 GHADHM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1OC ZINC000736644206 599520119 /nfs/dbraw/zinc/52/01/19/599520119.db2.gz HOECBCUJIUHAKH-UHFFFAOYSA-N -1 3 393.369 3.905 20 0 GHADHM C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329256 599521253 /nfs/dbraw/zinc/52/12/53/599521253.db2.gz UGWINVNTFQVOJB-LBPRGKRZSA-N -1 3 387.896 3.880 20 0 GHADHM C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329256 599521255 /nfs/dbraw/zinc/52/12/55/599521255.db2.gz UGWINVNTFQVOJB-LBPRGKRZSA-N -1 3 387.896 3.880 20 0 GHADHM C[C@@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)c1cccc(-c2nnn[n-]2)c1 ZINC000820397992 599522183 /nfs/dbraw/zinc/52/21/83/599522183.db2.gz YOQDUAJXGVEBQS-CYBMUJFWSA-N -1 3 386.459 3.718 20 0 GHADHM C[C@@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820397992 599522184 /nfs/dbraw/zinc/52/21/84/599522184.db2.gz YOQDUAJXGVEBQS-CYBMUJFWSA-N -1 3 386.459 3.718 20 0 GHADHM COc1ccccc1OCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737152084 599525314 /nfs/dbraw/zinc/52/53/14/599525314.db2.gz NDQXXUUGWDBIBL-UHFFFAOYSA-N -1 3 393.369 3.775 20 0 GHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1OCCc2ccccc21 ZINC000737627288 599527717 /nfs/dbraw/zinc/52/77/17/599527717.db2.gz OTJNXJZDJZOZRZ-INIZCTEOSA-N -1 3 375.354 3.611 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822409100 599527737 /nfs/dbraw/zinc/52/77/37/599527737.db2.gz LZSNZOKEWDTDIK-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1csc(-c2cccc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822409100 599527740 /nfs/dbraw/zinc/52/77/40/599527740.db2.gz LZSNZOKEWDTDIK-ZDUSSCGKSA-N -1 3 390.472 3.790 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000819933130 599543434 /nfs/dbraw/zinc/54/34/34/599543434.db2.gz GSRWTZFWSSHFOU-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000819933130 599543437 /nfs/dbraw/zinc/54/34/37/599543437.db2.gz GSRWTZFWSSHFOU-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CCCO[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000821127418 599546379 /nfs/dbraw/zinc/54/63/79/599546379.db2.gz HGBLBGVIKAEYAA-OAHLLOKOSA-N -1 3 384.459 3.648 20 0 GHADHM CCCO[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821127418 599546381 /nfs/dbraw/zinc/54/63/81/599546381.db2.gz HGBLBGVIKAEYAA-OAHLLOKOSA-N -1 3 384.459 3.648 20 0 GHADHM CSC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821950358 599548805 /nfs/dbraw/zinc/54/88/05/599548805.db2.gz MQJDBNDVZWOFGJ-UHFFFAOYSA-N -1 3 383.477 3.530 20 0 GHADHM CSC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821950358 599548807 /nfs/dbraw/zinc/54/88/07/599548807.db2.gz MQJDBNDVZWOFGJ-UHFFFAOYSA-N -1 3 383.477 3.530 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000826252486 607383568 /nfs/dbraw/zinc/38/35/68/607383568.db2.gz DWSOGPUGDZDLPQ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000826252486 607383571 /nfs/dbraw/zinc/38/35/71/607383571.db2.gz DWSOGPUGDZDLPQ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM CC(C)n1nccc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963719 599562233 /nfs/dbraw/zinc/56/22/33/599562233.db2.gz KPQZFXSFUJUSSR-UHFFFAOYSA-N -1 3 388.435 3.640 20 0 GHADHM COc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737152072 599562899 /nfs/dbraw/zinc/56/28/99/599562899.db2.gz MRWYHPFWIOTZTP-UHFFFAOYSA-N -1 3 386.415 3.871 20 0 GHADHM Cc1cnc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737446874 599565774 /nfs/dbraw/zinc/56/57/74/599565774.db2.gz XCABSZUNVPQQKW-UHFFFAOYSA-N -1 3 377.433 3.628 20 0 GHADHM CC(C)c1cccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000820196804 599566205 /nfs/dbraw/zinc/56/62/05/599566205.db2.gz CWVPTNNRQSHSTQ-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM CC(C)c1cccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000820196804 599566206 /nfs/dbraw/zinc/56/62/06/599566206.db2.gz CWVPTNNRQSHSTQ-UHFFFAOYSA-N -1 3 375.436 3.677 20 0 GHADHM Fc1cccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nnn[n-]1 ZINC000822791214 607384395 /nfs/dbraw/zinc/38/43/95/607384395.db2.gz FGJFHBRZGXMYKV-SECBINFHSA-N -1 3 398.389 3.865 20 0 GHADHM Fc1cccc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1-c1nn[n-]n1 ZINC000822791214 607384397 /nfs/dbraw/zinc/38/43/97/607384397.db2.gz FGJFHBRZGXMYKV-SECBINFHSA-N -1 3 398.389 3.865 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737290120 599610705 /nfs/dbraw/zinc/61/07/05/599610705.db2.gz BPODDNQWNJIGQG-RDJZCZTQSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737290120 599610706 /nfs/dbraw/zinc/61/07/06/599610706.db2.gz BPODDNQWNJIGQG-RDJZCZTQSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000737333383 599614600 /nfs/dbraw/zinc/61/46/00/599614600.db2.gz ADOVLDHCRBPYOV-CYBMUJFWSA-N -1 3 396.520 3.542 20 0 GHADHM Cc1ccc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000737333383 599614602 /nfs/dbraw/zinc/61/46/02/599614602.db2.gz ADOVLDHCRBPYOV-CYBMUJFWSA-N -1 3 396.520 3.542 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820488433 599621226 /nfs/dbraw/zinc/62/12/26/599621226.db2.gz OCDOSGDQQCWIFF-BCPZQOPPSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@H](OC(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820488433 599621227 /nfs/dbraw/zinc/62/12/27/599621227.db2.gz OCDOSGDQQCWIFF-BCPZQOPPSA-N -1 3 383.477 3.938 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820253876 599628616 /nfs/dbraw/zinc/62/86/16/599628616.db2.gz KKEYSICSDTTWLC-NSHDSACASA-N -1 3 385.468 3.763 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820253876 599628617 /nfs/dbraw/zinc/62/86/17/599628617.db2.gz KKEYSICSDTTWLC-NSHDSACASA-N -1 3 385.468 3.763 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820939059 599629288 /nfs/dbraw/zinc/62/92/88/599629288.db2.gz PNOHCMCYHRJZFF-XPGWFJOJSA-N -1 3 397.523 3.732 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820939059 599629289 /nfs/dbraw/zinc/62/92/89/599629289.db2.gz PNOHCMCYHRJZFF-XPGWFJOJSA-N -1 3 397.523 3.732 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820937979 599629488 /nfs/dbraw/zinc/62/94/88/599629488.db2.gz GAAZHEAQFZVMER-RBOXIYTFSA-N -1 3 377.876 3.833 20 0 GHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820937979 599629489 /nfs/dbraw/zinc/62/94/89/599629489.db2.gz GAAZHEAQFZVMER-RBOXIYTFSA-N -1 3 377.876 3.833 20 0 GHADHM O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822950420 599630711 /nfs/dbraw/zinc/63/07/11/599630711.db2.gz NKSUNJJKGUXJBQ-UHFFFAOYSA-N -1 3 375.354 3.742 20 0 GHADHM O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822950420 599630712 /nfs/dbraw/zinc/63/07/12/599630712.db2.gz NKSUNJJKGUXJBQ-UHFFFAOYSA-N -1 3 375.354 3.742 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820939870 599633661 /nfs/dbraw/zinc/63/36/61/599633661.db2.gz ZTGDHHNKHKYCHB-AWEZNQCLSA-N -1 3 383.374 3.562 20 0 GHADHM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820939870 599633662 /nfs/dbraw/zinc/63/36/62/599633662.db2.gz ZTGDHHNKHKYCHB-AWEZNQCLSA-N -1 3 383.374 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCCc2ccccc21 ZINC000823303871 599634333 /nfs/dbraw/zinc/63/43/33/599634333.db2.gz XOFMBKWYXZEIGU-AWEZNQCLSA-N -1 3 387.365 3.944 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCCc2ccccc21 ZINC000823303871 599634334 /nfs/dbraw/zinc/63/43/34/599634334.db2.gz XOFMBKWYXZEIGU-AWEZNQCLSA-N -1 3 387.365 3.944 20 0 GHADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822328931 599634772 /nfs/dbraw/zinc/63/47/72/599634772.db2.gz VUCFSIQPRBTUMD-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822328931 599634773 /nfs/dbraw/zinc/63/47/73/599634773.db2.gz VUCFSIQPRBTUMD-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM CC(C)CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000820091784 599636290 /nfs/dbraw/zinc/63/62/90/599636290.db2.gz AEEQONXKMLOADK-UHFFFAOYSA-N -1 3 375.436 3.579 20 0 GHADHM CC(C)CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000820091784 599636291 /nfs/dbraw/zinc/63/62/91/599636291.db2.gz AEEQONXKMLOADK-UHFFFAOYSA-N -1 3 375.436 3.579 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1 ZINC000820570335 599636364 /nfs/dbraw/zinc/63/63/64/599636364.db2.gz HOAAHXYQJLEUFM-AWEZNQCLSA-N -1 3 387.447 3.642 20 0 GHADHM C[C@@H](c1ccccc1)N(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000820570335 599636365 /nfs/dbraw/zinc/63/63/65/599636365.db2.gz HOAAHXYQJLEUFM-AWEZNQCLSA-N -1 3 387.447 3.642 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820392702 599647907 /nfs/dbraw/zinc/64/79/07/599647907.db2.gz ZCQFMSFHBCVEDJ-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820392702 599647908 /nfs/dbraw/zinc/64/79/08/599647908.db2.gz ZCQFMSFHBCVEDJ-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000820069312 599652685 /nfs/dbraw/zinc/65/26/85/599652685.db2.gz ZVMGAIWBVOQTEU-HNNXBMFYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000820069312 599652686 /nfs/dbraw/zinc/65/26/86/599652686.db2.gz ZVMGAIWBVOQTEU-HNNXBMFYSA-N -1 3 395.463 3.547 20 0 GHADHM CCc1cnc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000821499019 599662016 /nfs/dbraw/zinc/66/20/16/599662016.db2.gz APBHDBXOUQZVCD-UHFFFAOYSA-N -1 3 390.403 3.518 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC2(C1)CCCCCC2 ZINC000823249506 599674203 /nfs/dbraw/zinc/67/42/03/599674203.db2.gz BHYALGSQPMQNEJ-UHFFFAOYSA-N -1 3 386.475 3.652 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC2(C1)CCCCCC2 ZINC000823249506 599674204 /nfs/dbraw/zinc/67/42/04/599674204.db2.gz BHYALGSQPMQNEJ-UHFFFAOYSA-N -1 3 386.475 3.652 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823144919 599678276 /nfs/dbraw/zinc/67/82/76/599678276.db2.gz NAFQVTYWTSZJSM-BPQIPLTHSA-N -1 3 380.496 3.510 20 0 GHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823144919 599678277 /nfs/dbraw/zinc/67/82/77/599678277.db2.gz NAFQVTYWTSZJSM-BPQIPLTHSA-N -1 3 380.496 3.510 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccnc1 ZINC000819877504 599700322 /nfs/dbraw/zinc/70/03/22/599700322.db2.gz XHGXSVZVAHSYHO-AWEZNQCLSA-N -1 3 386.415 3.796 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCCO3)c2-c2nnn[n-]2)C1 ZINC000819907742 607391534 /nfs/dbraw/zinc/39/15/34/607391534.db2.gz RAXFOQKMMZZXBG-DGCLKSJQSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCCO3)c2-c2nn[n-]n2)C1 ZINC000819907742 607391536 /nfs/dbraw/zinc/39/15/36/607391536.db2.gz RAXFOQKMMZZXBG-DGCLKSJQSA-N -1 3 389.525 3.587 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)c2n1 ZINC000822280005 607395617 /nfs/dbraw/zinc/39/56/17/607395617.db2.gz HCYPOMCQCRJDCA-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)c2n1 ZINC000822280005 607395619 /nfs/dbraw/zinc/39/56/19/607395619.db2.gz HCYPOMCQCRJDCA-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000820168828 607399152 /nfs/dbraw/zinc/39/91/52/607399152.db2.gz BPUFGZQOYCMSAL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000820168828 607399153 /nfs/dbraw/zinc/39/91/53/607399153.db2.gz BPUFGZQOYCMSAL-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC1CCN([C@H](CNC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2)CC1 ZINC000736797670 599932328 /nfs/dbraw/zinc/93/23/28/599932328.db2.gz NIVZTFSGWSAVJL-HXUWFJFHSA-N -1 3 381.476 3.980 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1csc(-c2cccs2)n1 ZINC000826254149 607410074 /nfs/dbraw/zinc/41/00/74/607410074.db2.gz XCFBWMQTEVEYGH-UHFFFAOYSA-N -1 3 397.485 3.646 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1csc(-c2cccs2)n1 ZINC000826254149 607410076 /nfs/dbraw/zinc/41/00/76/607410076.db2.gz XCFBWMQTEVEYGH-UHFFFAOYSA-N -1 3 397.485 3.646 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826234242 607416000 /nfs/dbraw/zinc/41/60/00/607416000.db2.gz NVWXBFVHEBDEFX-UHFFFAOYSA-N -1 3 393.447 3.948 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826234242 607416002 /nfs/dbraw/zinc/41/60/02/607416002.db2.gz NVWXBFVHEBDEFX-UHFFFAOYSA-N -1 3 393.447 3.948 20 0 GHADHM C[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000736662507 600048118 /nfs/dbraw/zinc/04/81/18/600048118.db2.gz PRSZZGHRIFSQIA-AOMKIAJQSA-N -1 3 388.467 3.529 20 0 GHADHM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000737079868 600090780 /nfs/dbraw/zinc/09/07/80/600090780.db2.gz UVOVKFALKKIZJR-PKOBYXMFSA-N -1 3 397.519 3.670 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000820164152 607425656 /nfs/dbraw/zinc/42/56/56/607425656.db2.gz FPIAYUWARIUXPY-CPUCHLNUSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000820164152 607425657 /nfs/dbraw/zinc/42/56/57/607425657.db2.gz FPIAYUWARIUXPY-CPUCHLNUSA-N -1 3 384.484 3.839 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000826250716 607428555 /nfs/dbraw/zinc/42/85/55/607428555.db2.gz OSMXAQSCNDKJQH-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000826250716 607428557 /nfs/dbraw/zinc/42/85/57/607428557.db2.gz OSMXAQSCNDKJQH-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Br)cc1Cl ZINC000826250106 607428809 /nfs/dbraw/zinc/42/88/09/607428809.db2.gz LASXWUIJXTWUQM-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Br)cc1Cl ZINC000826250106 607428810 /nfs/dbraw/zinc/42/88/10/607428810.db2.gz LASXWUIJXTWUQM-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826166908 607430316 /nfs/dbraw/zinc/43/03/16/607430316.db2.gz HDBDFBWLXPZUIV-MNOVXSKESA-N -1 3 390.852 3.608 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000826166908 607430318 /nfs/dbraw/zinc/43/03/18/607430318.db2.gz HDBDFBWLXPZUIV-MNOVXSKESA-N -1 3 390.852 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCCc3ccccc3C2)cc1-c1nnn[n-]1 ZINC000820164784 607430611 /nfs/dbraw/zinc/43/06/11/607430611.db2.gz LNYDNBWBYPLJSH-UHFFFAOYSA-N -1 3 392.463 3.634 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000820164784 607430612 /nfs/dbraw/zinc/43/06/12/607430612.db2.gz LNYDNBWBYPLJSH-UHFFFAOYSA-N -1 3 392.463 3.634 20 0 GHADHM COc1ccc([C@H](NCc2ccc(OCc3cccnc3)cc2)C(=O)[O-])cc1 ZINC000737970843 600313223 /nfs/dbraw/zinc/31/32/23/600313223.db2.gz QAYWNPKEHZTMPI-NRFANRHFSA-N -1 3 378.428 3.585 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812870 607436775 /nfs/dbraw/zinc/43/67/75/607436775.db2.gz WMWMEUNXZDWLGX-KGLIPLIRSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812870 607436778 /nfs/dbraw/zinc/43/67/78/607436778.db2.gz WMWMEUNXZDWLGX-KGLIPLIRSA-N -1 3 388.258 3.940 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736283405 600401565 /nfs/dbraw/zinc/40/15/65/600401565.db2.gz KMITVUPGIOOBLV-XJKSGUPXSA-N -1 3 382.888 3.702 20 0 GHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000739218050 600409867 /nfs/dbraw/zinc/40/98/67/600409867.db2.gz FVHQFSHYKDGPDA-IBGZPJMESA-N -1 3 378.900 3.627 20 0 GHADHM Cc1conc1NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000822408348 607441749 /nfs/dbraw/zinc/44/17/49/607441749.db2.gz BXSRIHFVQLMVAE-UHFFFAOYSA-N -1 3 396.794 3.861 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714957 607442760 /nfs/dbraw/zinc/44/27/60/607442760.db2.gz PSCTVVMGYQQNIT-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM C[C@H](OC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714957 607442762 /nfs/dbraw/zinc/44/27/62/607442762.db2.gz PSCTVVMGYQQNIT-NSHDSACASA-N -1 3 392.337 3.612 20 0 GHADHM O=C([O-])c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1Cl ZINC000740146866 600511282 /nfs/dbraw/zinc/51/12/82/600511282.db2.gz HXADTILTWANAOD-UHFFFAOYSA-N -1 3 379.888 3.768 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC000738561771 600514201 /nfs/dbraw/zinc/51/42/01/600514201.db2.gz QYXIQEPBXJZFOG-QGZVFWFLSA-N -1 3 375.856 3.771 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)o1 ZINC000822233478 607452819 /nfs/dbraw/zinc/45/28/19/607452819.db2.gz PTOGOPGYNVXOKI-OAHLLOKOSA-N -1 3 398.467 3.534 20 0 GHADHM Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000822233478 607452820 /nfs/dbraw/zinc/45/28/20/607452820.db2.gz PTOGOPGYNVXOKI-OAHLLOKOSA-N -1 3 398.467 3.534 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1N[C@@H](C(=O)[O-])c1ccccc1F)O[C@@H](C)C2 ZINC000830049950 600747591 /nfs/dbraw/zinc/74/75/91/600747591.db2.gz TVKIAOBZJMFBBM-GNBQGBPWSA-N -1 3 385.435 3.819 20 0 GHADHM CN(C)Cc1cccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000737370437 600802142 /nfs/dbraw/zinc/80/21/42/600802142.db2.gz KQRAOVQICWGCNJ-NRFANRHFSA-N -1 3 390.483 3.575 20 0 GHADHM Cc1oc(NC(=O)CN(c2ccccc2F)C2CCCC2)c(-c2nnn[n-]2)c1C ZINC000826342143 607470254 /nfs/dbraw/zinc/47/02/54/607470254.db2.gz YZXVXCXKROLXJN-UHFFFAOYSA-N -1 3 398.442 3.603 20 0 GHADHM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739639843 600909504 /nfs/dbraw/zinc/90/95/04/600909504.db2.gz COVXRRYZKNDDPX-ZWKOTPCHSA-N -1 3 396.462 3.643 20 0 GHADHM Cc1cc(C)cc([C@H](NCc2ccc(-c3nnn[n-]3)cc2F)c2cccnc2)c1 ZINC000822196826 607480672 /nfs/dbraw/zinc/48/06/72/607480672.db2.gz YBFUZPMDADTOCV-OAQYLSRUSA-N -1 3 388.450 3.897 20 0 GHADHM Cc1cc(C)cc([C@H](NCc2ccc(-c3nn[n-]n3)cc2F)c2cccnc2)c1 ZINC000822196826 607480674 /nfs/dbraw/zinc/48/06/74/607480674.db2.gz YBFUZPMDADTOCV-OAQYLSRUSA-N -1 3 388.450 3.897 20 0 GHADHM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000833182035 600940989 /nfs/dbraw/zinc/94/09/89/600940989.db2.gz SBOXSENBUKDGRZ-MSOLQXFVSA-N -1 3 392.927 3.655 20 0 GHADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CNc2ccccn2)C1 ZINC000833171801 600994706 /nfs/dbraw/zinc/99/47/06/600994706.db2.gz QAYKIEZWDHCMTG-SJCJKPOMSA-N -1 3 380.275 3.948 20 0 GHADHM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000652430587 601034567 /nfs/dbraw/zinc/03/45/67/601034567.db2.gz PDZAWPDKQLRHDJ-AEFFLSMTSA-N -1 3 398.528 3.504 20 0 GHADHM CCOc1ccc(-c2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)cc1OC ZINC000830054233 601035603 /nfs/dbraw/zinc/03/56/03/601035603.db2.gz VNILOMMTYYQGIR-LJQANCHMSA-N -1 3 376.478 3.560 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(OCc2cscn2)c1 ZINC000822744296 607489927 /nfs/dbraw/zinc/48/99/27/607489927.db2.gz PYRNOEPWPDQXJS-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(OCc2cscn2)c1 ZINC000822744296 607489929 /nfs/dbraw/zinc/48/99/29/607489929.db2.gz PYRNOEPWPDQXJS-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM CN(C(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830507329 601129268 /nfs/dbraw/zinc/12/92/68/601129268.db2.gz IYAZKVPPGODCQG-LJQANCHMSA-N -1 3 382.464 3.905 20 0 GHADHM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830500355 601132865 /nfs/dbraw/zinc/13/28/65/601132865.db2.gz PCGKADBSSRMUBX-NRFANRHFSA-N -1 3 395.503 3.832 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000832914757 601241591 /nfs/dbraw/zinc/24/15/91/601241591.db2.gz BIKSZPWTPQXRDG-UHFFFAOYSA-N -1 3 381.476 3.822 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)CSCc2ccccc2)s1 ZINC000821465049 607500958 /nfs/dbraw/zinc/50/09/58/607500958.db2.gz AJVFCFSEPGVEDO-LBPRGKRZSA-N -1 3 387.534 3.999 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)CSCc2ccccc2)s1 ZINC000821465049 607500961 /nfs/dbraw/zinc/50/09/61/607500961.db2.gz AJVFCFSEPGVEDO-LBPRGKRZSA-N -1 3 387.534 3.999 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)ccc2n1 ZINC000822280693 607502149 /nfs/dbraw/zinc/50/21/49/607502149.db2.gz WKHZTXKWODDBQF-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1ccc2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)ccc2n1 ZINC000822280693 607502151 /nfs/dbraw/zinc/50/21/51/607502151.db2.gz WKHZTXKWODDBQF-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1cc(C(=O)N(CCN2CCCC2)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832860164 601565581 /nfs/dbraw/zinc/56/55/81/601565581.db2.gz BFZWXOCBMNCBSJ-UHFFFAOYSA-N -1 3 396.487 3.509 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000426757827 601656184 /nfs/dbraw/zinc/65/61/84/601656184.db2.gz FTYIFMZQANHNLP-BZNIZROVSA-N -1 3 392.249 3.729 20 0 GHADHM CN(C(=O)[O-])c1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000830923346 601700771 /nfs/dbraw/zinc/70/07/71/601700771.db2.gz HOXSARPBWDYIOE-UHFFFAOYSA-N -1 3 396.491 3.929 20 0 GHADHM COc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000826210054 607549306 /nfs/dbraw/zinc/54/93/06/607549306.db2.gz CDGUYBURUOOCBN-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM COc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000826210054 607549308 /nfs/dbraw/zinc/54/93/08/607549308.db2.gz CDGUYBURUOOCBN-UHFFFAOYSA-N -1 3 379.342 3.515 20 0 GHADHM CC(C)(CNC(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000738749411 602602019 /nfs/dbraw/zinc/60/20/19/602602019.db2.gz DCTAEFXAHMGYQC-UHFFFAOYSA-N -1 3 382.464 3.735 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(-c3ccccc3)ns2)s1 ZINC000825693848 607578421 /nfs/dbraw/zinc/57/84/21/607578421.db2.gz GIWAPEJZHYTIIG-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(-c3ccccc3)ns2)s1 ZINC000825693848 607578423 /nfs/dbraw/zinc/57/84/23/607578423.db2.gz GIWAPEJZHYTIIG-UHFFFAOYSA-N -1 3 382.474 3.866 20 0 GHADHM CCN(Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c1)C(=O)[O-] ZINC000739444693 603344863 /nfs/dbraw/zinc/34/48/63/603344863.db2.gz AIWWSZSRHDNTRG-LJQANCHMSA-N -1 3 384.480 3.611 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000825434101 603384672 /nfs/dbraw/zinc/38/46/72/603384672.db2.gz MFHCCMTXJBPIOI-CVEARBPZSA-N -1 3 384.480 3.657 20 0 GHADHM O=C([O-])NCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000832657952 603574679 /nfs/dbraw/zinc/57/46/79/603574679.db2.gz GVSWFDMIYASXSL-UHFFFAOYSA-N -1 3 382.247 3.603 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825639566 607650666 /nfs/dbraw/zinc/65/06/66/607650666.db2.gz ZPQCUEYXJITEOG-IBGZPJMESA-N -1 3 377.448 3.551 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825639566 607650668 /nfs/dbraw/zinc/65/06/68/607650668.db2.gz ZPQCUEYXJITEOG-IBGZPJMESA-N -1 3 377.448 3.551 20 0 GHADHM O=C(CSCc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826420597 607657218 /nfs/dbraw/zinc/65/72/18/607657218.db2.gz UGDOVYDHGVOZJO-UHFFFAOYSA-N -1 3 389.278 3.745 20 0 GHADHM O=C(CSCc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826420597 607657219 /nfs/dbraw/zinc/65/72/19/607657219.db2.gz UGDOVYDHGVOZJO-UHFFFAOYSA-N -1 3 389.278 3.745 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000826243403 607657967 /nfs/dbraw/zinc/65/79/67/607657967.db2.gz HNGMLEAQLIXIAV-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000826243403 607657969 /nfs/dbraw/zinc/65/79/69/607657969.db2.gz HNGMLEAQLIXIAV-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C(F)(F)F)c1 ZINC000825643994 607671122 /nfs/dbraw/zinc/67/11/22/607671122.db2.gz ZKQQGZDFTBVYRQ-UHFFFAOYSA-N -1 3 391.353 3.845 20 0 GHADHM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C(F)(F)F)c1 ZINC000825643994 607671123 /nfs/dbraw/zinc/67/11/23/607671123.db2.gz ZKQQGZDFTBVYRQ-UHFFFAOYSA-N -1 3 391.353 3.845 20 0 GHADHM O=C(C[C@@H]1CSCCS1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826404444 607687742 /nfs/dbraw/zinc/68/77/42/607687742.db2.gz ATVOLVIDGWQVHZ-QGZVFWFLSA-N -1 3 398.513 3.678 20 0 GHADHM O=C(C[C@@H]1CSCCS1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826404444 607687744 /nfs/dbraw/zinc/68/77/44/607687744.db2.gz ATVOLVIDGWQVHZ-QGZVFWFLSA-N -1 3 398.513 3.678 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825435374 607695411 /nfs/dbraw/zinc/69/54/11/607695411.db2.gz VXAODEYVHNVTCL-UHFFFAOYSA-N -1 3 398.470 3.899 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825435374 607695413 /nfs/dbraw/zinc/69/54/13/607695413.db2.gz VXAODEYVHNVTCL-UHFFFAOYSA-N -1 3 398.470 3.899 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000826243516 607698357 /nfs/dbraw/zinc/69/83/57/607698357.db2.gz KZZMQXQTICGQQE-LJQANCHMSA-N -1 3 381.455 3.654 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000826243516 607698358 /nfs/dbraw/zinc/69/83/58/607698358.db2.gz KZZMQXQTICGQQE-LJQANCHMSA-N -1 3 381.455 3.654 20 0 GHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc3ccccc3nc1N1CCCCC1)CC2 ZINC000833771975 604651314 /nfs/dbraw/zinc/65/13/14/604651314.db2.gz WMKXUKTZXVUZAF-IBGZPJMESA-N -1 3 379.504 3.912 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c2cccs2)CC1 ZINC000828284692 604803596 /nfs/dbraw/zinc/80/35/96/604803596.db2.gz HCFHIACVGUGNIB-KRWDZBQOSA-N -1 3 390.480 3.788 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000833416804 604942443 /nfs/dbraw/zinc/94/24/43/604942443.db2.gz FGTWEOSGAFMFLD-YOEHRIQHSA-N -1 3 378.900 3.658 20 0 GHADHM COc1ccc(C[C@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccc(OC)cc2)cc1 ZINC000832287285 604987395 /nfs/dbraw/zinc/98/73/95/604987395.db2.gz LVKBKOSLWNAGQB-VXKWHMMOSA-N -1 3 392.455 3.798 20 0 GHADHM O=C([O-])[C@H](Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1cccnc1 ZINC000833107142 605000128 /nfs/dbraw/zinc/00/01/28/605000128.db2.gz YSKHSQRLFXKFMW-OAQYLSRUSA-N -1 3 396.491 3.524 20 0 GHADHM COc1cc(NC2CCN([C@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)cc(OC)c1 ZINC000833729787 605046676 /nfs/dbraw/zinc/04/66/76/605046676.db2.gz ORYWEKNYLVEAMA-CQSZACIVSA-N -1 3 388.464 3.941 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824394293 607733110 /nfs/dbraw/zinc/73/31/10/607733110.db2.gz XCLRYCZZKNISDU-NOZJJQNGSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824394293 607733112 /nfs/dbraw/zinc/73/31/12/607733112.db2.gz XCLRYCZZKNISDU-NOZJJQNGSA-N -1 3 383.399 3.871 20 0 GHADHM O[C@@H](c1ccccc1)C1(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000826504658 607735350 /nfs/dbraw/zinc/73/53/50/607735350.db2.gz AQIYXHMHGFBWDP-INIZCTEOSA-N -1 3 389.381 3.811 20 0 GHADHM O[C@@H](c1ccccc1)C1(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000826504658 607735351 /nfs/dbraw/zinc/73/53/51/607735351.db2.gz AQIYXHMHGFBWDP-INIZCTEOSA-N -1 3 389.381 3.811 20 0 GHADHM COc1ccc([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1NC(C)=O ZINC000829301196 605119446 /nfs/dbraw/zinc/11/94/46/605119446.db2.gz AYNBUHYDWLJVGC-ZIAGYGMSSA-N -1 3 385.464 3.833 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cc(C(=O)[O-])ccc3F)C[C@H]21 ZINC000833438605 605428308 /nfs/dbraw/zinc/42/83/08/605428308.db2.gz LDGAZGUWGMSOGM-YXJHDRRASA-N -1 3 392.471 3.649 20 0 GHADHM CCCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000826896738 605466239 /nfs/dbraw/zinc/46/62/39/605466239.db2.gz DDBCRQWFZQUOIU-UHFFFAOYSA-N -1 3 381.904 3.750 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824915116 607758471 /nfs/dbraw/zinc/75/84/71/607758471.db2.gz BEAIKYKNCHORSE-PJIJBLCYSA-N -1 3 376.464 3.866 20 0 GHADHM C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824915116 607758472 /nfs/dbraw/zinc/75/84/72/607758472.db2.gz BEAIKYKNCHORSE-PJIJBLCYSA-N -1 3 376.464 3.866 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NCC1(C2CC2)CC1 ZINC000826442205 607758834 /nfs/dbraw/zinc/75/88/34/607758834.db2.gz MTYROKFWOYHACL-UHFFFAOYSA-N -1 3 394.504 3.585 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000825972047 607764020 /nfs/dbraw/zinc/76/40/20/607764020.db2.gz SWJWSSWOSHNUNC-IBGZPJMESA-N -1 3 390.491 3.722 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000825972047 607764021 /nfs/dbraw/zinc/76/40/21/607764021.db2.gz SWJWSSWOSHNUNC-IBGZPJMESA-N -1 3 390.491 3.722 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824807747 607764035 /nfs/dbraw/zinc/76/40/35/607764035.db2.gz MWLZHHFRYGJZGL-GOSISDBHSA-N -1 3 394.454 3.519 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824807747 607764036 /nfs/dbraw/zinc/76/40/36/607764036.db2.gz MWLZHHFRYGJZGL-GOSISDBHSA-N -1 3 394.454 3.519 20 0 GHADHM Cc1noc(C(C)C)c1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826338307 607768910 /nfs/dbraw/zinc/76/89/10/607768910.db2.gz QVLBUKZBHIBGCX-UHFFFAOYSA-N -1 3 395.448 3.662 20 0 GHADHM Cc1noc(C(C)C)c1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826338307 607768911 /nfs/dbraw/zinc/76/89/11/607768911.db2.gz QVLBUKZBHIBGCX-UHFFFAOYSA-N -1 3 395.448 3.662 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1nccc2ccccc21 ZINC000826459943 607769816 /nfs/dbraw/zinc/76/98/16/607769816.db2.gz GURNGCSTJPTPSH-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1nccc2ccccc21 ZINC000826459943 607769817 /nfs/dbraw/zinc/76/98/17/607769817.db2.gz GURNGCSTJPTPSH-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(Cl)s1 ZINC000826459481 607770038 /nfs/dbraw/zinc/77/00/38/607770038.db2.gz LMAYWERRBWXCQS-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(Cl)s1 ZINC000826459481 607770039 /nfs/dbraw/zinc/77/00/39/607770039.db2.gz LMAYWERRBWXCQS-UHFFFAOYSA-N -1 3 388.865 3.957 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc(Cl)c1 ZINC000826459387 607770909 /nfs/dbraw/zinc/77/09/09/607770909.db2.gz HWDTZDXBFXOYIS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc(Cl)c1 ZINC000826459387 607770910 /nfs/dbraw/zinc/77/09/10/607770910.db2.gz HWDTZDXBFXOYIS-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826471590 607771590 /nfs/dbraw/zinc/77/15/90/607771590.db2.gz FTUFYHBVDMEXMG-FQEVSTJZSA-N -1 3 375.476 3.884 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826471590 607771591 /nfs/dbraw/zinc/77/15/91/607771591.db2.gz FTUFYHBVDMEXMG-FQEVSTJZSA-N -1 3 375.476 3.884 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826470260 607771812 /nfs/dbraw/zinc/77/18/12/607771812.db2.gz KBJADUQXBNXNDN-QGZVFWFLSA-N -1 3 381.505 3.946 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826470260 607771813 /nfs/dbraw/zinc/77/18/13/607771813.db2.gz KBJADUQXBNXNDN-QGZVFWFLSA-N -1 3 381.505 3.946 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824918322 607771970 /nfs/dbraw/zinc/77/19/70/607771970.db2.gz PLQBZESKUXKVJY-LIRRHRJNSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824918322 607771971 /nfs/dbraw/zinc/77/19/71/607771971.db2.gz PLQBZESKUXKVJY-LIRRHRJNSA-N -1 3 393.516 3.855 20 0 GHADHM C[C@@H](CCNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000820243178 606029399 /nfs/dbraw/zinc/02/93/99/606029399.db2.gz XEJHAKNWZBCLMQ-LBPRGKRZSA-N -1 3 389.381 3.809 20 0 GHADHM C[C@@H](CCNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820243178 606029405 /nfs/dbraw/zinc/02/94/05/606029405.db2.gz XEJHAKNWZBCLMQ-LBPRGKRZSA-N -1 3 389.381 3.809 20 0 GHADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1cccnc1 ZINC000819877007 606051322 /nfs/dbraw/zinc/05/13/22/606051322.db2.gz MTCQBDVBDNHADR-LBPRGKRZSA-N -1 3 376.445 3.732 20 0 GHADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1cccnc1 ZINC000819877007 606051328 /nfs/dbraw/zinc/05/13/28/606051328.db2.gz MTCQBDVBDNHADR-LBPRGKRZSA-N -1 3 376.445 3.732 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821699695 606101328 /nfs/dbraw/zinc/10/13/28/606101328.db2.gz ZYDSVEHJIWCUES-SECBINFHSA-N -1 3 393.230 3.891 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821699695 606101329 /nfs/dbraw/zinc/10/13/29/606101329.db2.gz ZYDSVEHJIWCUES-SECBINFHSA-N -1 3 393.230 3.891 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341773 606117260 /nfs/dbraw/zinc/11/72/60/606117260.db2.gz RKGDZPZMYIZJGQ-NJSLBKSFSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341773 606117262 /nfs/dbraw/zinc/11/72/62/606117262.db2.gz RKGDZPZMYIZJGQ-NJSLBKSFSA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(Cl)s1 ZINC000819867506 606125935 /nfs/dbraw/zinc/12/59/35/606125935.db2.gz STIBTHXEIOTHRR-VIFPVBQESA-N -1 3 378.889 3.880 20 0 GHADHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(Cl)s1 ZINC000819867506 606125936 /nfs/dbraw/zinc/12/59/36/606125936.db2.gz STIBTHXEIOTHRR-VIFPVBQESA-N -1 3 378.889 3.880 20 0 GHADHM COc1csc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000821911430 606147927 /nfs/dbraw/zinc/14/79/27/606147927.db2.gz RVJJAXAHEWLYCQ-UHFFFAOYSA-N -1 3 383.458 3.918 20 0 GHADHM COc1csc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000821911430 606147929 /nfs/dbraw/zinc/14/79/29/606147929.db2.gz RVJJAXAHEWLYCQ-UHFFFAOYSA-N -1 3 383.458 3.918 20 0 GHADHM CCc1c(C)sc(NC(=O)c2scnc2C(C)(C)C)c1-c1nnn[n-]1 ZINC000821465457 606147973 /nfs/dbraw/zinc/14/79/73/606147973.db2.gz HYNXMVFTIAVCRZ-UHFFFAOYSA-N -1 3 376.511 3.805 20 0 GHADHM CCc1c(C)sc(NC(=O)c2scnc2C(C)(C)C)c1-c1nn[n-]n1 ZINC000821465457 606147974 /nfs/dbraw/zinc/14/79/74/606147974.db2.gz HYNXMVFTIAVCRZ-UHFFFAOYSA-N -1 3 376.511 3.805 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000822744205 606165057 /nfs/dbraw/zinc/16/50/57/606165057.db2.gz OIHDYEOTRJVTDK-MRXNPFEDSA-N -1 3 393.344 3.603 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822464039 606174953 /nfs/dbraw/zinc/17/49/53/606174953.db2.gz YYWXZNGKTNDDTB-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM Cc1nc2ccccc2n1CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822464039 606174954 /nfs/dbraw/zinc/17/49/54/606174954.db2.gz YYWXZNGKTNDDTB-UHFFFAOYSA-N -1 3 387.369 3.656 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820548880 606179311 /nfs/dbraw/zinc/17/93/11/606179311.db2.gz HDFDWPOSCUMNMI-ZIAGYGMSSA-N -1 3 399.495 3.847 20 0 GHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820548880 606179313 /nfs/dbraw/zinc/17/93/13/606179313.db2.gz HDFDWPOSCUMNMI-ZIAGYGMSSA-N -1 3 399.495 3.847 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(C(F)(F)F)c1F ZINC000821389534 606184429 /nfs/dbraw/zinc/18/44/29/606184429.db2.gz NDQQMYRCUPWSCC-UHFFFAOYSA-N -1 3 396.300 3.643 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(C(F)(F)F)c1F ZINC000821389534 606184430 /nfs/dbraw/zinc/18/44/30/606184430.db2.gz NDQQMYRCUPWSCC-UHFFFAOYSA-N -1 3 396.300 3.643 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000821466740 606185399 /nfs/dbraw/zinc/18/53/99/606185399.db2.gz ZGZJCPSQZBSOHN-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000821466740 606185401 /nfs/dbraw/zinc/18/54/01/606185401.db2.gz ZGZJCPSQZBSOHN-UHFFFAOYSA-N -1 3 385.346 3.901 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822419619 606190546 /nfs/dbraw/zinc/19/05/46/606190546.db2.gz RPBRUNHCYMNUAI-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822419619 606190548 /nfs/dbraw/zinc/19/05/48/606190548.db2.gz RPBRUNHCYMNUAI-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000822352171 606196914 /nfs/dbraw/zinc/19/69/14/606196914.db2.gz VTABRJXTUMFUQT-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000822352171 606196915 /nfs/dbraw/zinc/19/69/15/606196915.db2.gz VTABRJXTUMFUQT-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM COc1cccc(C(C)=CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000821860190 606221840 /nfs/dbraw/zinc/22/18/40/606221840.db2.gz YLNDZXDJKGWAGF-FOWTUZBSSA-N -1 3 391.475 3.716 20 0 GHADHM COc1cccc(C(C)=CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000821860190 606221842 /nfs/dbraw/zinc/22/18/42/606221842.db2.gz YLNDZXDJKGWAGF-FOWTUZBSSA-N -1 3 391.475 3.716 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819975810 606223779 /nfs/dbraw/zinc/22/37/79/606223779.db2.gz DKGRIIAFZNRZRP-KRWDZBQOSA-N -1 3 388.479 3.856 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819975810 606223780 /nfs/dbraw/zinc/22/37/80/606223780.db2.gz DKGRIIAFZNRZRP-KRWDZBQOSA-N -1 3 388.479 3.856 20 0 GHADHM O=C(OCC[C@H]1CCCC1=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823400866 606227846 /nfs/dbraw/zinc/22/78/46/606227846.db2.gz KTFXNKMAFPOOIV-CQSZACIVSA-N -1 3 391.431 3.526 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000821702548 606240306 /nfs/dbraw/zinc/24/03/06/606240306.db2.gz XFBPMDJBLAHXFO-IAGOWNOFSA-N -1 3 391.431 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000821702548 606240309 /nfs/dbraw/zinc/24/03/09/606240309.db2.gz XFBPMDJBLAHXFO-IAGOWNOFSA-N -1 3 391.431 3.652 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2cccs2)cc1 ZINC000820192182 606247594 /nfs/dbraw/zinc/24/75/94/606247594.db2.gz FZDICUXUQVRWOE-SFHVURJKSA-N -1 3 392.488 3.899 20 0 GHADHM CC(C)c1ccc([C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2cccs2)cc1 ZINC000820192182 606247595 /nfs/dbraw/zinc/24/75/95/606247595.db2.gz FZDICUXUQVRWOE-SFHVURJKSA-N -1 3 392.488 3.899 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000822649505 606257457 /nfs/dbraw/zinc/25/74/57/606257457.db2.gz DWJBOYMFLOUYPA-UHFFFAOYSA-N -1 3 382.493 3.633 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000822649505 606257458 /nfs/dbraw/zinc/25/74/58/606257458.db2.gz DWJBOYMFLOUYPA-UHFFFAOYSA-N -1 3 382.493 3.633 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822229605 606268558 /nfs/dbraw/zinc/26/85/58/606268558.db2.gz XXBOUNXXSMVFCS-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822229605 606268561 /nfs/dbraw/zinc/26/85/61/606268561.db2.gz XXBOUNXXSMVFCS-ZDUSSCGKSA-N -1 3 383.427 3.844 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000821118210 606281092 /nfs/dbraw/zinc/28/10/92/606281092.db2.gz IQXWUUPWDLXGAE-KGLIPLIRSA-N -1 3 398.417 3.709 20 0 GHADHM COC(=O)[C@H](N[C@@H](CC(C)C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642833 606307185 /nfs/dbraw/zinc/30/71/85/606307185.db2.gz QEVPQFWWMLJAOE-VQTJNVASSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@H](N[C@@H](CC(C)C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642833 606307186 /nfs/dbraw/zinc/30/71/86/606307186.db2.gz QEVPQFWWMLJAOE-VQTJNVASSA-N -1 3 393.491 3.766 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000823467564 606319329 /nfs/dbraw/zinc/31/93/29/606319329.db2.gz XHXJWKKUXQFSTE-OAHLLOKOSA-N -1 3 390.369 3.581 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000823467564 606319330 /nfs/dbraw/zinc/31/93/30/606319330.db2.gz XHXJWKKUXQFSTE-OAHLLOKOSA-N -1 3 390.369 3.581 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000820335172 606328309 /nfs/dbraw/zinc/32/83/09/606328309.db2.gz VEEUESOZQRQXHI-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM C[C@H](NC(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000820335172 606328311 /nfs/dbraw/zinc/32/83/11/606328311.db2.gz VEEUESOZQRQXHI-AWEZNQCLSA-N -1 3 389.484 3.989 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820938194 606335383 /nfs/dbraw/zinc/33/53/83/606335383.db2.gz HJRJUUZXICDUBC-KBXCAEBGSA-N -1 3 397.454 3.773 20 0 GHADHM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820938194 606335385 /nfs/dbraw/zinc/33/53/85/606335385.db2.gz HJRJUUZXICDUBC-KBXCAEBGSA-N -1 3 397.454 3.773 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513171 606341267 /nfs/dbraw/zinc/34/12/67/606341267.db2.gz WMBWDCZBPVDMSO-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513171 606341269 /nfs/dbraw/zinc/34/12/69/606341269.db2.gz WMBWDCZBPVDMSO-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821982794 606341624 /nfs/dbraw/zinc/34/16/24/606341624.db2.gz BBDNDCKDZZLUSY-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821982794 606341626 /nfs/dbraw/zinc/34/16/26/606341626.db2.gz BBDNDCKDZZLUSY-STQMWFEESA-N -1 3 384.461 3.660 20 0 GHADHM C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498056 606345646 /nfs/dbraw/zinc/34/56/46/606345646.db2.gz YPMNKFLFIGLQNN-CQSZACIVSA-N -1 3 375.432 3.975 20 0 GHADHM C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498056 606345648 /nfs/dbraw/zinc/34/56/48/606345648.db2.gz YPMNKFLFIGLQNN-CQSZACIVSA-N -1 3 375.432 3.975 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891229 606351964 /nfs/dbraw/zinc/35/19/64/606351964.db2.gz XPQLTBCFBKLQLN-LSDHHAIUSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821891229 606351966 /nfs/dbraw/zinc/35/19/66/606351966.db2.gz XPQLTBCFBKLQLN-LSDHHAIUSA-N -1 3 380.448 3.748 20 0 GHADHM C[C@@H](C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1cccnc1 ZINC000819882907 606360420 /nfs/dbraw/zinc/36/04/20/606360420.db2.gz CLONZELUSBHCIP-CQSZACIVSA-N -1 3 387.399 3.763 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820096706 606360551 /nfs/dbraw/zinc/36/05/51/606360551.db2.gz GEZOSBWLGPIXJX-CQSZACIVSA-N -1 3 382.420 3.626 20 0 GHADHM CC(C)CO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820096706 606360552 /nfs/dbraw/zinc/36/05/52/606360552.db2.gz GEZOSBWLGPIXJX-CQSZACIVSA-N -1 3 382.420 3.626 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000821609648 606362930 /nfs/dbraw/zinc/36/29/30/606362930.db2.gz GGUZTMWTWRMFDP-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000821609648 606362931 /nfs/dbraw/zinc/36/29/31/606362931.db2.gz GGUZTMWTWRMFDP-UHFFFAOYSA-N -1 3 375.388 3.524 20 0 GHADHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000823414573 606374009 /nfs/dbraw/zinc/37/40/09/606374009.db2.gz ZLNOTFQKPDPIRB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000823414573 606374011 /nfs/dbraw/zinc/37/40/11/606374011.db2.gz ZLNOTFQKPDPIRB-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823556967 606379508 /nfs/dbraw/zinc/37/95/08/606379508.db2.gz CJGREUFMLGKHQC-FPLPWBNLSA-N -1 3 397.243 3.553 20 0 GHADHM O=S(=O)(C=Cc1ccc(Cl)cc1)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823556967 606379509 /nfs/dbraw/zinc/37/95/09/606379509.db2.gz CJGREUFMLGKHQC-FPLPWBNLSA-N -1 3 397.243 3.553 20 0 GHADHM CC(C)(NC(=O)c1ccccc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819987669 606386841 /nfs/dbraw/zinc/38/68/41/606386841.db2.gz FUAGXHDVQDRHEQ-UHFFFAOYSA-N -1 3 390.472 3.655 20 0 GHADHM CC(C)(NC(=O)c1ccccc1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819987669 606386843 /nfs/dbraw/zinc/38/68/43/606386843.db2.gz FUAGXHDVQDRHEQ-UHFFFAOYSA-N -1 3 390.472 3.655 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823233211 606394316 /nfs/dbraw/zinc/39/43/16/606394316.db2.gz DHZLAYMWOYGEDT-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CC2(CCCC2)c2ccccc21 ZINC000823233211 606394317 /nfs/dbraw/zinc/39/43/17/606394317.db2.gz DHZLAYMWOYGEDT-UHFFFAOYSA-N -1 3 392.438 3.547 20 0 GHADHM COCc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000821695083 606399809 /nfs/dbraw/zinc/39/98/09/606399809.db2.gz IXORSGONHHAFAD-UHFFFAOYSA-N -1 3 392.371 3.618 20 0 GHADHM COCc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000821695083 606399810 /nfs/dbraw/zinc/39/98/10/606399810.db2.gz IXORSGONHHAFAD-UHFFFAOYSA-N -1 3 392.371 3.618 20 0 GHADHM Cc1ccc(C)c(SCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822232194 606415539 /nfs/dbraw/zinc/41/55/39/606415539.db2.gz WMHOYNJUGKAMNW-UHFFFAOYSA-N -1 3 387.896 3.892 20 0 GHADHM Cc1ccc(C)c(SCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822232194 606415540 /nfs/dbraw/zinc/41/55/40/606415540.db2.gz WMHOYNJUGKAMNW-UHFFFAOYSA-N -1 3 387.896 3.892 20 0 GHADHM C[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[C@H]1C ZINC000820717850 606439821 /nfs/dbraw/zinc/43/98/21/606439821.db2.gz XWANUAOMHKXGMC-OLZOCXBDSA-N -1 3 382.493 3.535 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820348842 606441226 /nfs/dbraw/zinc/44/12/26/606441226.db2.gz GKOHWJUYQTYXAK-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820348842 606441227 /nfs/dbraw/zinc/44/12/27/606441227.db2.gz GKOHWJUYQTYXAK-WDEREUQCSA-N -1 3 388.834 3.781 20 0 GHADHM Cc1cccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C(N)=O ZINC000822323282 606449095 /nfs/dbraw/zinc/44/90/95/606449095.db2.gz CQICGCGFOSBYHN-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM Cc1cccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C(N)=O ZINC000822323282 606449096 /nfs/dbraw/zinc/44/90/96/606449096.db2.gz CQICGCGFOSBYHN-UHFFFAOYSA-N -1 3 384.443 3.553 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC000820508306 606464659 /nfs/dbraw/zinc/46/46/59/606464659.db2.gz OHOAGTUQNCRAAV-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC000820508306 606464662 /nfs/dbraw/zinc/46/46/62/606464662.db2.gz OHOAGTUQNCRAAV-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822259054 606467642 /nfs/dbraw/zinc/46/76/42/606467642.db2.gz LDDOUIWIZGCPKT-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822259054 606467643 /nfs/dbraw/zinc/46/76/43/606467643.db2.gz LDDOUIWIZGCPKT-SECBINFHSA-N -1 3 380.376 3.756 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821828320 606483855 /nfs/dbraw/zinc/48/38/55/606483855.db2.gz SGSZSBCXJYYBEF-UHFFFAOYSA-N -1 3 391.456 3.784 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821828320 606483856 /nfs/dbraw/zinc/48/38/56/606483856.db2.gz SGSZSBCXJYYBEF-UHFFFAOYSA-N -1 3 391.456 3.784 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822241499 606492441 /nfs/dbraw/zinc/49/24/41/606492441.db2.gz YCXMWKROIUUPDX-UHFFFAOYSA-N -1 3 379.445 3.985 20 0 GHADHM Cc1ccc(N(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822241499 606492443 /nfs/dbraw/zinc/49/24/43/606492443.db2.gz YCXMWKROIUUPDX-UHFFFAOYSA-N -1 3 379.445 3.985 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C)cc1F ZINC000821389519 606495480 /nfs/dbraw/zinc/49/54/80/606495480.db2.gz MRAQQKXPSLTSDK-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C)cc1F ZINC000821389519 606495482 /nfs/dbraw/zinc/49/54/82/606495482.db2.gz MRAQQKXPSLTSDK-UHFFFAOYSA-N -1 3 376.775 3.586 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000823088432 606507551 /nfs/dbraw/zinc/50/75/51/606507551.db2.gz XZDLUVATCMGHGS-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000823088432 606507553 /nfs/dbraw/zinc/50/75/53/606507553.db2.gz XZDLUVATCMGHGS-UHFFFAOYSA-N -1 3 393.834 3.889 20 0 GHADHM Cc1cccc(C(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2cccc(C)c2)c1 ZINC000822288993 606548893 /nfs/dbraw/zinc/54/88/93/606548893.db2.gz OTSJQLKDBAVNBT-UHFFFAOYSA-N -1 3 397.482 3.932 20 0 GHADHM Cc1cccc(C(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2cccc(C)c2)c1 ZINC000822288993 606548895 /nfs/dbraw/zinc/54/88/95/606548895.db2.gz OTSJQLKDBAVNBT-UHFFFAOYSA-N -1 3 397.482 3.932 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000823086963 606565562 /nfs/dbraw/zinc/56/55/62/606565562.db2.gz AEKUMZFXPXKHBJ-UHFFFAOYSA-N -1 3 395.894 3.544 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000823086963 606565563 /nfs/dbraw/zinc/56/55/63/606565563.db2.gz AEKUMZFXPXKHBJ-UHFFFAOYSA-N -1 3 395.894 3.544 20 0 GHADHM Cc1cc(C)c(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000822194101 606569753 /nfs/dbraw/zinc/56/97/53/606569753.db2.gz INGWCZSUEKLYLV-UHFFFAOYSA-N -1 3 379.445 3.735 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823331673 606577335 /nfs/dbraw/zinc/57/73/35/606577335.db2.gz HEFXECIAPJKLNV-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823331673 606577337 /nfs/dbraw/zinc/57/73/37/606577337.db2.gz HEFXECIAPJKLNV-UHFFFAOYSA-N -1 3 398.829 3.980 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)[C@H]1C ZINC000820717363 606577577 /nfs/dbraw/zinc/57/75/77/606577577.db2.gz QEIOYARJAYOCJF-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)[C@H]1C ZINC000820717363 606577579 /nfs/dbraw/zinc/57/75/79/606577579.db2.gz QEIOYARJAYOCJF-KBPBESRZSA-N -1 3 378.436 3.921 20 0 GHADHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(Cl)c1 ZINC000823557847 606591616 /nfs/dbraw/zinc/59/16/16/606591616.db2.gz SMOJRYRMINCIIO-UHFFFAOYSA-N -1 3 380.738 3.513 20 0 GHADHM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(Cl)c1 ZINC000823557847 606591618 /nfs/dbraw/zinc/59/16/18/606591618.db2.gz SMOJRYRMINCIIO-UHFFFAOYSA-N -1 3 380.738 3.513 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821699092 606620683 /nfs/dbraw/zinc/62/06/83/606620683.db2.gz BGYCOSQRWCJEKD-UHFFFAOYSA-N -1 3 386.839 3.703 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821699092 606620684 /nfs/dbraw/zinc/62/06/84/606620684.db2.gz BGYCOSQRWCJEKD-UHFFFAOYSA-N -1 3 386.839 3.703 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821400638 606627912 /nfs/dbraw/zinc/62/79/12/606627912.db2.gz NDZUFMMOFZCGJB-SECBINFHSA-N -1 3 377.857 3.723 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000821400638 606627913 /nfs/dbraw/zinc/62/79/13/606627913.db2.gz NDZUFMMOFZCGJB-SECBINFHSA-N -1 3 377.857 3.723 20 0 GHADHM CC[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000820938821 606628101 /nfs/dbraw/zinc/62/81/01/606628101.db2.gz MWDSSSBDELCQKM-OAHLLOKOSA-N -1 3 387.896 3.707 20 0 GHADHM CC[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000820938821 606628103 /nfs/dbraw/zinc/62/81/03/606628103.db2.gz MWDSSSBDELCQKM-OAHLLOKOSA-N -1 3 387.896 3.707 20 0 GHADHM Cc1cccnc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822211594 606628560 /nfs/dbraw/zinc/62/85/60/606628560.db2.gz GNJRDDJZYLMHTQ-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2C1 ZINC000820549055 606630387 /nfs/dbraw/zinc/63/03/87/606630387.db2.gz JMRDKELMLVBNBQ-GFCCVEGCSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2C1 ZINC000820549055 606630389 /nfs/dbraw/zinc/63/03/89/606630389.db2.gz JMRDKELMLVBNBQ-GFCCVEGCSA-N -1 3 399.907 3.586 20 0 GHADHM C[C@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCOCC1 ZINC000820512531 606654168 /nfs/dbraw/zinc/65/41/68/606654168.db2.gz LWWMJCOUSCXHOA-AWEZNQCLSA-N -1 3 393.447 3.582 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cc(Br)cc1F ZINC000822761979 606656888 /nfs/dbraw/zinc/65/68/88/606656888.db2.gz XCZDDCKAJZNXBF-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cc(Br)cc1F ZINC000822761979 606656889 /nfs/dbraw/zinc/65/68/89/606656889.db2.gz XCZDDCKAJZNXBF-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM O=C(Nc1ccc(SC(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823356330 606661953 /nfs/dbraw/zinc/66/19/53/606661953.db2.gz KUQJGXIFCJZAMU-UHFFFAOYSA-N -1 3 383.330 3.712 20 0 GHADHM O=C(Nc1ccc(SC(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823356330 606661954 /nfs/dbraw/zinc/66/19/54/606661954.db2.gz KUQJGXIFCJZAMU-UHFFFAOYSA-N -1 3 383.330 3.712 20 0 GHADHM COc1ccc2cc(COC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2c1 ZINC000821854800 606668476 /nfs/dbraw/zinc/66/84/76/606668476.db2.gz VYPNQVPYBBHBKC-UHFFFAOYSA-N -1 3 396.353 3.664 20 0 GHADHM COc1ccc2cc(COC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2c1 ZINC000821854800 606668477 /nfs/dbraw/zinc/66/84/77/606668477.db2.gz VYPNQVPYBBHBKC-UHFFFAOYSA-N -1 3 396.353 3.664 20 0 GHADHM CC(C)CC1(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CCCC1 ZINC000820061458 606670080 /nfs/dbraw/zinc/67/00/80/606670080.db2.gz BREPGFNPRFYIAK-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM CC(C)CC1(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CCCC1 ZINC000820061458 606670081 /nfs/dbraw/zinc/67/00/81/606670081.db2.gz BREPGFNPRFYIAK-UHFFFAOYSA-N -1 3 396.539 3.512 20 0 GHADHM CC[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000820981019 606670346 /nfs/dbraw/zinc/67/03/46/606670346.db2.gz NWRFFQXEZTWHGW-CYBMUJFWSA-N -1 3 382.493 3.537 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821617037 606670519 /nfs/dbraw/zinc/67/05/19/606670519.db2.gz TZFHWBDCHRRHMP-UHFFFAOYSA-N -1 3 385.399 3.632 20 0 GHADHM CN(Cc1csc2ccccc12)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821617037 606670520 /nfs/dbraw/zinc/67/05/20/606670520.db2.gz TZFHWBDCHRRHMP-UHFFFAOYSA-N -1 3 385.399 3.632 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821607562 606671364 /nfs/dbraw/zinc/67/13/64/606671364.db2.gz UPNOCEFBQGOZJJ-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821607562 606671365 /nfs/dbraw/zinc/67/13/65/606671365.db2.gz UPNOCEFBQGOZJJ-UHFFFAOYSA-N -1 3 398.200 3.724 20 0 GHADHM O=C(OCc1ccc(SC(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823426919 606672400 /nfs/dbraw/zinc/67/24/00/606672400.db2.gz QWKMXUINSPGAKU-UHFFFAOYSA-N -1 3 398.341 3.817 20 0 GHADHM O=C(OCc1ccc(SC(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823426919 606672401 /nfs/dbraw/zinc/67/24/01/606672401.db2.gz QWKMXUINSPGAKU-UHFFFAOYSA-N -1 3 398.341 3.817 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000821412654 606673590 /nfs/dbraw/zinc/67/35/90/606673590.db2.gz QUKHSCNSEHPBQR-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000821412654 606673591 /nfs/dbraw/zinc/67/35/91/606673591.db2.gz QUKHSCNSEHPBQR-UHFFFAOYSA-N -1 3 395.316 3.676 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821889436 606678538 /nfs/dbraw/zinc/67/85/38/606678538.db2.gz BDTOVECNGMMKSL-MRXNPFEDSA-N -1 3 399.401 3.521 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821889436 606678539 /nfs/dbraw/zinc/67/85/39/606678539.db2.gz BDTOVECNGMMKSL-MRXNPFEDSA-N -1 3 399.401 3.521 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820293251 606683938 /nfs/dbraw/zinc/68/39/38/606683938.db2.gz JQXJOCJWZNQMBS-CHWSQXEVSA-N -1 3 385.468 3.611 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820293251 606683939 /nfs/dbraw/zinc/68/39/39/606683939.db2.gz JQXJOCJWZNQMBS-CHWSQXEVSA-N -1 3 385.468 3.611 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820958098 606691089 /nfs/dbraw/zinc/69/10/89/606691089.db2.gz RKQFSMGBSMFLNH-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM CCC1(CC)CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820958098 606691090 /nfs/dbraw/zinc/69/10/90/606691090.db2.gz RKQFSMGBSMFLNH-UHFFFAOYSA-N -1 3 392.463 3.706 20 0 GHADHM CC(C)[C@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820038468 606693205 /nfs/dbraw/zinc/69/32/05/606693205.db2.gz OJAKFWVOHHUBCL-KRWDZBQOSA-N -1 3 376.464 3.728 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1sccc1-c1nnn[n-]1 ZINC000823140510 606694501 /nfs/dbraw/zinc/69/45/01/606694501.db2.gz VKSIRRVZLSPJFX-MRXNPFEDSA-N -1 3 379.420 3.587 20 0 GHADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1sccc1-c1nn[n-]n1 ZINC000823140510 606694502 /nfs/dbraw/zinc/69/45/02/606694502.db2.gz VKSIRRVZLSPJFX-MRXNPFEDSA-N -1 3 379.420 3.587 20 0 GHADHM CC(C)Sc1ccccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820183952 606708269 /nfs/dbraw/zinc/70/82/69/606708269.db2.gz OTNCUEMQOOAYLO-KRWDZBQOSA-N -1 3 394.504 3.585 20 0 GHADHM CC(C)Sc1ccccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820183952 606708271 /nfs/dbraw/zinc/70/82/71/606708271.db2.gz OTNCUEMQOOAYLO-KRWDZBQOSA-N -1 3 394.504 3.585 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000822197606 606723282 /nfs/dbraw/zinc/72/32/82/606723282.db2.gz HMUMZYHGRFPOJA-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1cc(C)n(-c2ccccc2CNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000822197606 606723284 /nfs/dbraw/zinc/72/32/84/606723284.db2.gz HMUMZYHGRFPOJA-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2cccs2)C1 ZINC000822204473 606726063 /nfs/dbraw/zinc/72/60/63/606726063.db2.gz PTNXKQLRKGWJTF-OAHLLOKOSA-N -1 3 396.451 3.502 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2cccs2)C1 ZINC000822204473 606726064 /nfs/dbraw/zinc/72/60/64/606726064.db2.gz PTNXKQLRKGWJTF-OAHLLOKOSA-N -1 3 396.451 3.502 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820938641 606727198 /nfs/dbraw/zinc/72/71/98/606727198.db2.gz KYGLFLVZPCMHCH-CQSZACIVSA-N -1 3 395.410 3.535 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820938641 606727199 /nfs/dbraw/zinc/72/71/99/606727199.db2.gz KYGLFLVZPCMHCH-CQSZACIVSA-N -1 3 395.410 3.535 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820938640 606727423 /nfs/dbraw/zinc/72/74/23/606727423.db2.gz KYGLFLVZPCMHCH-AWEZNQCLSA-N -1 3 395.410 3.535 20 0 GHADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820938640 606727424 /nfs/dbraw/zinc/72/74/24/606727424.db2.gz KYGLFLVZPCMHCH-AWEZNQCLSA-N -1 3 395.410 3.535 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N(C)C(C)C)cc1 ZINC000821702254 606770338 /nfs/dbraw/zinc/77/03/38/606770338.db2.gz NGSCHRYZENYHEJ-UHFFFAOYSA-N -1 3 382.424 3.540 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N(C)C(C)C)cc1 ZINC000821702254 606770339 /nfs/dbraw/zinc/77/03/39/606770339.db2.gz NGSCHRYZENYHEJ-UHFFFAOYSA-N -1 3 382.424 3.540 20 0 GHADHM COc1ccc(CNc2ccccc2CCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821824051 606772779 /nfs/dbraw/zinc/77/27/79/606772779.db2.gz FUZWAXSCCSXVHL-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1ccc(CNc2ccccc2CCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821824051 606772781 /nfs/dbraw/zinc/77/27/81/606772781.db2.gz FUZWAXSCCSXVHL-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)Cc2ccco2)cc1 ZINC000822136725 606775980 /nfs/dbraw/zinc/77/59/80/606775980.db2.gz OVMXSYAURZJQTF-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)Cc2ccco2)cc1 ZINC000822136725 606775982 /nfs/dbraw/zinc/77/59/82/606775982.db2.gz OVMXSYAURZJQTF-UHFFFAOYSA-N -1 3 389.415 3.833 20 0 GHADHM Cc1ccc(Cl)c(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822239828 606777096 /nfs/dbraw/zinc/77/70/96/606777096.db2.gz GPCAIINBPJPTMC-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1ccc(Cl)c(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822239828 606777097 /nfs/dbraw/zinc/77/70/97/606777097.db2.gz GPCAIINBPJPTMC-UHFFFAOYSA-N -1 3 377.235 3.533 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000822231017 606807656 /nfs/dbraw/zinc/80/76/56/606807656.db2.gz XTVWASGPNIEOSH-LPHOPBHVSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000822231017 606807657 /nfs/dbraw/zinc/80/76/57/606807657.db2.gz XTVWASGPNIEOSH-LPHOPBHVSA-N -1 3 391.475 3.615 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2cccnc2)cc1 ZINC000822146189 606830251 /nfs/dbraw/zinc/83/02/51/606830251.db2.gz VLSXMWBLGXOHKW-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823175133 606833914 /nfs/dbraw/zinc/83/39/14/606833914.db2.gz ATPWEGMVECQVIZ-QGZVFWFLSA-N -1 3 396.476 3.676 20 0 GHADHM O=C(NC[C@H]1CCCS1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823175133 606833916 /nfs/dbraw/zinc/83/39/16/606833916.db2.gz ATPWEGMVECQVIZ-QGZVFWFLSA-N -1 3 396.476 3.676 20 0 GHADHM Cc1cc(Cl)cc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822200876 606875181 /nfs/dbraw/zinc/87/51/81/606875181.db2.gz GPILRJNASUGEGY-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1cc(Cl)cc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822200876 606875182 /nfs/dbraw/zinc/87/51/82/606875182.db2.gz GPILRJNASUGEGY-UHFFFAOYSA-N -1 3 397.866 3.512 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822419759 606959550 /nfs/dbraw/zinc/95/95/50/606959550.db2.gz UEEHBGDYHJQESW-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822419759 606959553 /nfs/dbraw/zinc/95/95/53/606959553.db2.gz UEEHBGDYHJQESW-UHFFFAOYSA-N -1 3 394.822 3.760 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820937759 606961947 /nfs/dbraw/zinc/96/19/47/606961947.db2.gz CRPXFWKOPDYKTM-KRWDZBQOSA-N -1 3 385.855 3.649 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820937759 606961949 /nfs/dbraw/zinc/96/19/49/606961949.db2.gz CRPXFWKOPDYKTM-KRWDZBQOSA-N -1 3 385.855 3.649 20 0 GHADHM COc1cccc([C@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821859921 606963350 /nfs/dbraw/zinc/96/33/50/606963350.db2.gz ULPWGDQJPUWFCM-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM COc1cccc([C@H](C)CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821859921 606963352 /nfs/dbraw/zinc/96/33/52/606963352.db2.gz ULPWGDQJPUWFCM-GFCCVEGCSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)Oc1cccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000820178167 606964325 /nfs/dbraw/zinc/96/43/25/606964325.db2.gz IXZXGQLSVXBPEC-UHFFFAOYSA-N -1 3 385.855 3.513 20 0 GHADHM CC(C)Oc1cccc(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000820178167 606964327 /nfs/dbraw/zinc/96/43/27/606964327.db2.gz IXZXGQLSVXBPEC-UHFFFAOYSA-N -1 3 385.855 3.513 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC000819899116 606965097 /nfs/dbraw/zinc/96/50/97/606965097.db2.gz NRMFSIIYDJMHOR-CQSZACIVSA-N -1 3 377.420 3.724 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC000819899116 606965098 /nfs/dbraw/zinc/96/50/98/606965098.db2.gz NRMFSIIYDJMHOR-CQSZACIVSA-N -1 3 377.420 3.724 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c2c1 ZINC000822275561 606965282 /nfs/dbraw/zinc/96/52/82/606965282.db2.gz VDPKTRRNZIXAGO-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM Cc1ccc2[nH]cc(CCC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c2c1 ZINC000822275561 606965284 /nfs/dbraw/zinc/96/52/84/606965284.db2.gz VDPKTRRNZIXAGO-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820570533 606966243 /nfs/dbraw/zinc/96/62/43/606966243.db2.gz LXJDYXLRFZKVAZ-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM C[C@H](c1ccccc1Br)N(C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820570533 606966245 /nfs/dbraw/zinc/96/62/45/606966245.db2.gz LXJDYXLRFZKVAZ-LLVKDONJSA-N -1 3 390.260 3.961 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000823331185 606967397 /nfs/dbraw/zinc/96/73/97/606967397.db2.gz BWBVHABOFRASOQ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000823331185 606967399 /nfs/dbraw/zinc/96/73/99/606967399.db2.gz BWBVHABOFRASOQ-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM Cc1nc(CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c(C)s1 ZINC000822435669 606986556 /nfs/dbraw/zinc/98/65/56/606986556.db2.gz AATQVLITIOVKJZ-UHFFFAOYSA-N -1 3 391.456 3.755 20 0 GHADHM Cc1nc(CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c(C)s1 ZINC000822435669 606986558 /nfs/dbraw/zinc/98/65/58/606986558.db2.gz AATQVLITIOVKJZ-UHFFFAOYSA-N -1 3 391.456 3.755 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821446913 606988942 /nfs/dbraw/zinc/98/89/42/606988942.db2.gz FUZOZDOJOXOVGZ-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM CCS[C@@H](C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821446913 606988943 /nfs/dbraw/zinc/98/89/43/606988943.db2.gz FUZOZDOJOXOVGZ-VIFPVBQESA-N -1 3 380.474 3.636 20 0 GHADHM CC=C(C=CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)CC ZINC000820833053 606998150 /nfs/dbraw/zinc/99/81/50/606998150.db2.gz RHIBILFYZLFKJK-WBRSINFDSA-N -1 3 376.420 3.905 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822936395 606998914 /nfs/dbraw/zinc/99/89/14/606998914.db2.gz UEAUUQRZVUNWJG-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822936395 606998916 /nfs/dbraw/zinc/99/89/16/606998916.db2.gz UEAUUQRZVUNWJG-CQSZACIVSA-N -1 3 394.328 3.785 20 0 GHADHM Fc1ccc(CSc2nncn2-c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000822774303 607007450 /nfs/dbraw/zinc/00/74/50/607007450.db2.gz JNZQXFRHGXXSTM-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1ccc(CSc2nncn2-c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000822774303 607007452 /nfs/dbraw/zinc/00/74/52/607007452.db2.gz JNZQXFRHGXXSTM-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820554952 607015026 /nfs/dbraw/zinc/01/50/26/607015026.db2.gz CFCOPUWBRSYSDL-ZIAGYGMSSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820554952 607015029 /nfs/dbraw/zinc/01/50/29/607015029.db2.gz CFCOPUWBRSYSDL-ZIAGYGMSSA-N -1 3 379.489 3.715 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821480387 607017021 /nfs/dbraw/zinc/01/70/21/607017021.db2.gz BSSFSBDJLPZHTE-UONOGXRCSA-N -1 3 381.505 3.787 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821480387 607017023 /nfs/dbraw/zinc/01/70/23/607017023.db2.gz BSSFSBDJLPZHTE-UONOGXRCSA-N -1 3 381.505 3.787 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(OC(C)(C)C)CC1 ZINC000822204101 607044883 /nfs/dbraw/zinc/04/48/83/607044883.db2.gz DHKHLHVZSXQPDF-UHFFFAOYSA-N -1 3 384.459 3.646 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(OC(C)(C)C)CC1 ZINC000822204101 607044884 /nfs/dbraw/zinc/04/48/84/607044884.db2.gz DHKHLHVZSXQPDF-UHFFFAOYSA-N -1 3 384.459 3.646 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1OC(F)F ZINC000820425987 607058699 /nfs/dbraw/zinc/05/86/99/607058699.db2.gz DQXAVXYYGBNJER-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1OC(F)F ZINC000820425987 607058701 /nfs/dbraw/zinc/05/87/01/607058701.db2.gz DQXAVXYYGBNJER-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000820548494 607093056 /nfs/dbraw/zinc/09/30/56/607093056.db2.gz ATGMEKOANDNKDI-ZANVPECISA-N -1 3 390.852 3.580 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000820548494 607093058 /nfs/dbraw/zinc/09/30/58/607093058.db2.gz ATGMEKOANDNKDI-ZANVPECISA-N -1 3 390.852 3.580 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sc(C2CCCC2)nc1C ZINC000821310269 607100261 /nfs/dbraw/zinc/10/02/61/607100261.db2.gz YFQVWCFQOGVEHA-UHFFFAOYSA-N -1 3 397.508 3.973 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000821304538 607101949 /nfs/dbraw/zinc/10/19/49/607101949.db2.gz JVPRWJOJJTWMDY-UHFFFAOYSA-N -1 3 389.419 3.514 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820768019 607116130 /nfs/dbraw/zinc/11/61/30/607116130.db2.gz LEFXVCWVFCVZNA-BMIGLBTASA-N -1 3 395.410 3.913 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820768019 607116132 /nfs/dbraw/zinc/11/61/32/607116132.db2.gz LEFXVCWVFCVZNA-BMIGLBTASA-N -1 3 395.410 3.913 20 0 GHADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820534644 607134507 /nfs/dbraw/zinc/13/45/07/607134507.db2.gz MHKYCGHEHBEYDO-VIFPVBQESA-N -1 3 386.774 3.849 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820534644 607134508 /nfs/dbraw/zinc/13/45/08/607134508.db2.gz MHKYCGHEHBEYDO-VIFPVBQESA-N -1 3 386.774 3.849 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822194398 607139455 /nfs/dbraw/zinc/13/94/55/607139455.db2.gz WCMQPEWDLQJTEK-NSHDSACASA-N -1 3 389.818 3.682 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822194398 607139457 /nfs/dbraw/zinc/13/94/57/607139457.db2.gz WCMQPEWDLQJTEK-NSHDSACASA-N -1 3 389.818 3.682 20 0 GHADHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820549531 607150119 /nfs/dbraw/zinc/15/01/19/607150119.db2.gz OPMFVEWBVZCHHS-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000820549531 607150121 /nfs/dbraw/zinc/15/01/21/607150121.db2.gz OPMFVEWBVZCHHS-GFCCVEGCSA-N -1 3 381.440 3.581 20 0 GHADHM C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820391782 607151872 /nfs/dbraw/zinc/15/18/72/607151872.db2.gz QXQDEQAXSSQBEP-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820391782 607151874 /nfs/dbraw/zinc/15/18/74/607151874.db2.gz QXQDEQAXSSQBEP-SECBINFHSA-N -1 3 379.317 3.516 20 0 GHADHM CCN(C(=O)Cc1ccc(F)cc1Cl)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153461 607156245 /nfs/dbraw/zinc/15/62/45/607156245.db2.gz CKXMOMXHAZMBLZ-LBPRGKRZSA-N -1 3 387.846 3.811 20 0 GHADHM CCN(C(=O)Cc1ccc(F)cc1Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153461 607156247 /nfs/dbraw/zinc/15/62/47/607156247.db2.gz CKXMOMXHAZMBLZ-LBPRGKRZSA-N -1 3 387.846 3.811 20 0 GHADHM COc1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)cs2)cc1 ZINC000821732507 607170315 /nfs/dbraw/zinc/17/03/15/607170315.db2.gz OVNKGAHJVLKQEK-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM COc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)cs2)cc1 ZINC000821732507 607170316 /nfs/dbraw/zinc/17/03/16/607170316.db2.gz OVNKGAHJVLKQEK-UHFFFAOYSA-N -1 3 383.408 3.717 20 0 GHADHM O=C(NCCc1c[nH]c2cc(F)ccc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823218852 607196101 /nfs/dbraw/zinc/19/61/01/607196101.db2.gz AKXXUYCSZRKYHZ-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM O=C(NCCc1c[nH]c2cc(F)ccc12)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823218852 607196102 /nfs/dbraw/zinc/19/61/02/607196102.db2.gz AKXXUYCSZRKYHZ-UHFFFAOYSA-N -1 3 399.817 3.505 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000821798702 607202746 /nfs/dbraw/zinc/20/27/46/607202746.db2.gz KLMWOMSXLPTRBI-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000821798702 607202747 /nfs/dbraw/zinc/20/27/47/607202747.db2.gz KLMWOMSXLPTRBI-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM CC(C)N(CC(F)F)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820116516 607224786 /nfs/dbraw/zinc/22/47/86/607224786.db2.gz JQBIOZMIXVLXMZ-UHFFFAOYSA-N -1 3 386.406 3.726 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000820769143 607227758 /nfs/dbraw/zinc/22/77/58/607227758.db2.gz RQQCMOKGTYQBOB-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C[C@H](c2ccccc2)O1 ZINC000820769143 607227759 /nfs/dbraw/zinc/22/77/59/607227759.db2.gz RQQCMOKGTYQBOB-SJKOYZFVSA-N -1 3 389.381 3.852 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821128663 607237305 /nfs/dbraw/zinc/23/73/05/607237305.db2.gz YXBLFEYNVHPBBK-UHFFFAOYSA-N -1 3 395.463 3.760 20 0 GHADHM CCCOc1cc(C)ccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821128663 607237306 /nfs/dbraw/zinc/23/73/06/607237306.db2.gz YXBLFEYNVHPBBK-UHFFFAOYSA-N -1 3 395.463 3.760 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822232820 607243014 /nfs/dbraw/zinc/24/30/14/607243014.db2.gz BMWVUACVLNHSFE-QAPCUYQASA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822232820 607243015 /nfs/dbraw/zinc/24/30/15/607243015.db2.gz BMWVUACVLNHSFE-QAPCUYQASA-N -1 3 397.866 3.935 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(F)cc1F ZINC000824385341 607782881 /nfs/dbraw/zinc/78/28/81/607782881.db2.gz QUWOIMZWKPIMDM-VIFPVBQESA-N -1 3 389.431 3.827 20 0 GHADHM C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(F)cc1F ZINC000824385341 607782882 /nfs/dbraw/zinc/78/28/82/607782882.db2.gz QUWOIMZWKPIMDM-VIFPVBQESA-N -1 3 389.431 3.827 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000825545739 607783886 /nfs/dbraw/zinc/78/38/86/607783886.db2.gz VYDOQNADONLURS-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000825545739 607783887 /nfs/dbraw/zinc/78/38/87/607783887.db2.gz VYDOQNADONLURS-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1ccccc1-c1nnn[n-]1 ZINC000825826169 607786575 /nfs/dbraw/zinc/78/65/75/607786575.db2.gz ZQJBCCJLUYXAQM-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1ccccc1-c1nn[n-]n1 ZINC000825826169 607786576 /nfs/dbraw/zinc/78/65/76/607786576.db2.gz ZQJBCCJLUYXAQM-UHFFFAOYSA-N -1 3 388.406 3.708 20 0 GHADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000824040431 607787919 /nfs/dbraw/zinc/78/79/19/607787919.db2.gz PQXJWIOHCYCNDX-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000824040431 607787920 /nfs/dbraw/zinc/78/79/20/607787920.db2.gz PQXJWIOHCYCNDX-JTQLQIEISA-N -1 3 376.247 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825812656 607789852 /nfs/dbraw/zinc/78/98/52/607789852.db2.gz QGTUDNNERYREND-UONOGXRCSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825812656 607789853 /nfs/dbraw/zinc/78/98/53/607789853.db2.gz QGTUDNNERYREND-UONOGXRCSA-N -1 3 388.258 3.940 20 0 GHADHM CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390649 607797893 /nfs/dbraw/zinc/79/78/93/607797893.db2.gz JDARCDJTVCLMBS-UHFFFAOYSA-N -1 3 394.435 3.796 20 0 GHADHM CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390649 607797894 /nfs/dbraw/zinc/79/78/94/607797894.db2.gz JDARCDJTVCLMBS-UHFFFAOYSA-N -1 3 394.435 3.796 20 0 GHADHM O=C(NCCCc1cccc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826437168 607834573 /nfs/dbraw/zinc/83/45/73/607834573.db2.gz ZAXKPSSBIOQEPT-UHFFFAOYSA-N -1 3 394.237 3.675 20 0 GHADHM O=C(NCCCc1cccc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826437168 607834574 /nfs/dbraw/zinc/83/45/74/607834574.db2.gz ZAXKPSSBIOQEPT-UHFFFAOYSA-N -1 3 394.237 3.675 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826474300 607839875 /nfs/dbraw/zinc/83/98/75/607839875.db2.gz KBAMBVKCSLLMAC-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826474300 607839876 /nfs/dbraw/zinc/83/98/76/607839876.db2.gz KBAMBVKCSLLMAC-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM O=C(CCSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1F ZINC000826408117 607842961 /nfs/dbraw/zinc/84/29/61/607842961.db2.gz QCOVACOXZUTFBM-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1ccccc1F ZINC000826408117 607842962 /nfs/dbraw/zinc/84/29/62/607842962.db2.gz QCOVACOXZUTFBM-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1ccc(Br)cn1 ZINC000826350559 607844771 /nfs/dbraw/zinc/84/47/71/607844771.db2.gz BPBDCHUEWKPKDV-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1ccc(Br)cn1 ZINC000826350559 607844772 /nfs/dbraw/zinc/84/47/72/607844772.db2.gz BPBDCHUEWKPKDV-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Cc1c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cccc1-c1ccccn1 ZINC000826234570 607857300 /nfs/dbraw/zinc/85/73/00/607857300.db2.gz CWUKNEPFKVXSNO-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM Cc1c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cccc1-c1ccccn1 ZINC000826234570 607857301 /nfs/dbraw/zinc/85/73/01/607857301.db2.gz CWUKNEPFKVXSNO-UHFFFAOYSA-N -1 3 389.390 3.733 20 0 GHADHM O[C@@H](COc1ccc(-c2nnn[n-]2)cc1Cl)Cc1ccccc1C(F)(F)F ZINC000826504516 607872981 /nfs/dbraw/zinc/87/29/81/607872981.db2.gz XVJRXISKLCBLKJ-GFCCVEGCSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1Cl)Cc1ccccc1C(F)(F)F ZINC000826504516 607872982 /nfs/dbraw/zinc/87/29/82/607872982.db2.gz XVJRXISKLCBLKJ-GFCCVEGCSA-N -1 3 398.772 3.521 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nnn[n-]2)nc2cc(Cl)ccc12 ZINC000826500962 607884474 /nfs/dbraw/zinc/88/44/74/607884474.db2.gz SYJNRQWZEBSUGV-QPEQYQDCSA-N -1 3 385.214 3.906 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nn[n-]n2)nc2cc(Cl)ccc12 ZINC000826500962 607884475 /nfs/dbraw/zinc/88/44/75/607884475.db2.gz SYJNRQWZEBSUGV-QPEQYQDCSA-N -1 3 385.214 3.906 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nnn[n-]2)nc2ccc(Cl)cc12 ZINC000826500936 607884595 /nfs/dbraw/zinc/88/45/95/607884595.db2.gz SAGPWDCEJNLHKB-NTUHNPAUSA-N -1 3 385.214 3.906 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2ccccc2-c2nn[n-]n2)nc2ccc(Cl)cc12 ZINC000826500936 607884596 /nfs/dbraw/zinc/88/45/96/607884596.db2.gz SAGPWDCEJNLHKB-NTUHNPAUSA-N -1 3 385.214 3.906 20 0 GHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824655854 607903034 /nfs/dbraw/zinc/90/30/34/607903034.db2.gz GGYBVDCXKFJKBU-FLESLCNUSA-N -1 3 395.410 3.796 20 0 GHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824655854 607903035 /nfs/dbraw/zinc/90/30/35/607903035.db2.gz GGYBVDCXKFJKBU-FLESLCNUSA-N -1 3 395.410 3.796 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC=C(C)CC2)cc1 ZINC000824853223 607910663 /nfs/dbraw/zinc/91/06/63/607910663.db2.gz XYBXGHKWJUVTIY-UHFFFAOYSA-N -1 3 375.432 3.760 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC=C(C)CC2)cc1 ZINC000824853223 607910664 /nfs/dbraw/zinc/91/06/64/607910664.db2.gz XYBXGHKWJUVTIY-UHFFFAOYSA-N -1 3 375.432 3.760 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)cc1 ZINC000826284738 607946409 /nfs/dbraw/zinc/94/64/09/607946409.db2.gz DBKAVCARVDPVKI-HKUYNNGSSA-N -1 3 378.432 3.561 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)cc1 ZINC000826284738 607946410 /nfs/dbraw/zinc/94/64/10/607946410.db2.gz DBKAVCARVDPVKI-HKUYNNGSSA-N -1 3 378.432 3.561 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000826322901 607948170 /nfs/dbraw/zinc/94/81/70/607948170.db2.gz GMMHVAHKSNZNGL-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826322901 607948171 /nfs/dbraw/zinc/94/81/71/607948171.db2.gz GMMHVAHKSNZNGL-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474539 607952068 /nfs/dbraw/zinc/95/20/68/607952068.db2.gz UXJFJIGGDQBKJV-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM O=C(c1ccccc1Oc1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474539 607952069 /nfs/dbraw/zinc/95/20/69/607952069.db2.gz UXJFJIGGDQBKJV-UHFFFAOYSA-N -1 3 383.411 3.862 20 0 GHADHM O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826468580 607955128 /nfs/dbraw/zinc/95/51/28/607955128.db2.gz YISNVWUNERXDNK-UHFFFAOYSA-N -1 3 399.241 3.858 20 0 GHADHM O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826468580 607955129 /nfs/dbraw/zinc/95/51/29/607955129.db2.gz YISNVWUNERXDNK-UHFFFAOYSA-N -1 3 399.241 3.858 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 ZINC000826185010 607965676 /nfs/dbraw/zinc/96/56/76/607965676.db2.gz VKPOJYBGFHCNLO-BLLLJJGKSA-N -1 3 399.524 3.819 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 ZINC000826185010 607965677 /nfs/dbraw/zinc/96/56/77/607965677.db2.gz VKPOJYBGFHCNLO-BLLLJJGKSA-N -1 3 399.524 3.819 20 0 GHADHM Cc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)n1[C@H]1CCC[C@H](C)C1 ZINC000826337692 607965938 /nfs/dbraw/zinc/96/59/38/607965938.db2.gz XPUCXRTYJSCQLF-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)n1[C@H]1CCC[C@H](C)C1 ZINC000826337692 607965939 /nfs/dbraw/zinc/96/59/39/607965939.db2.gz XPUCXRTYJSCQLF-NHYWBVRUSA-N -1 3 387.488 3.949 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1CCC(F)(F)F ZINC000825958265 607970520 /nfs/dbraw/zinc/97/05/20/607970520.db2.gz PKPJGBMLCYKYAF-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1CCC(F)(F)F ZINC000825958265 607970521 /nfs/dbraw/zinc/97/05/21/607970521.db2.gz PKPJGBMLCYKYAF-UHFFFAOYSA-N -1 3 389.381 3.634 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(COCC)c1 ZINC000825351209 607974573 /nfs/dbraw/zinc/97/45/73/607974573.db2.gz AMASYEVZAXCRJJ-UHFFFAOYSA-N -1 3 392.463 3.839 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(COCC)c1 ZINC000825351209 607974574 /nfs/dbraw/zinc/97/45/74/607974574.db2.gz AMASYEVZAXCRJJ-UHFFFAOYSA-N -1 3 392.463 3.839 20 0 GHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cnc(-c2ccccn2)s1 ZINC000825351257 607974733 /nfs/dbraw/zinc/97/47/33/607974733.db2.gz BDHXHALHWRVAJH-UHFFFAOYSA-N -1 3 388.460 3.812 20 0 GHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cnc(-c2ccccn2)s1 ZINC000825351257 607974734 /nfs/dbraw/zinc/97/47/34/607974734.db2.gz BDHXHALHWRVAJH-UHFFFAOYSA-N -1 3 388.460 3.812 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262454 607979994 /nfs/dbraw/zinc/97/99/94/607979994.db2.gz PFJMSOJAKBNDJX-ORAYPTAESA-N -1 3 394.454 3.826 20 0 GHADHM Cc1cc([C@H](NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000826262454 607979995 /nfs/dbraw/zinc/97/99/95/607979995.db2.gz PFJMSOJAKBNDJX-ORAYPTAESA-N -1 3 394.454 3.826 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826399982 608000339 /nfs/dbraw/zinc/00/03/39/608000339.db2.gz LZVJLNGCOMGALK-VURMDHGXSA-N -1 3 386.868 3.507 20 0 GHADHM O=C(C=Cc1ccc(Cl)nc1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826399982 608000340 /nfs/dbraw/zinc/00/03/40/608000340.db2.gz LZVJLNGCOMGALK-VURMDHGXSA-N -1 3 386.868 3.507 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000825830239 608003848 /nfs/dbraw/zinc/00/38/48/608003848.db2.gz PYMGOICSTAOWRP-UHFFFAOYSA-N -1 3 393.344 3.777 20 0 GHADHM CN(C(=O)c1ccccc1CCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000825830239 608003849 /nfs/dbraw/zinc/00/38/49/608003849.db2.gz PYMGOICSTAOWRP-UHFFFAOYSA-N -1 3 393.344 3.777 20 0 GHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347956 608008331 /nfs/dbraw/zinc/00/83/31/608008331.db2.gz UWNGMAKVNDIDRA-HXUWFJFHSA-N -1 3 391.475 3.733 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826452220 608023063 /nfs/dbraw/zinc/02/30/63/608023063.db2.gz LQJDAGVVJOYOLJ-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826452220 608023064 /nfs/dbraw/zinc/02/30/64/608023064.db2.gz LQJDAGVVJOYOLJ-IBGZPJMESA-N -1 3 376.464 3.886 20 0 GHADHM CN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000825817576 608026603 /nfs/dbraw/zinc/02/66/03/608026603.db2.gz LOIGSAFBUUODIM-UHFFFAOYSA-N -1 3 394.866 3.918 20 0 GHADHM CN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000825817576 608026604 /nfs/dbraw/zinc/02/66/04/608026604.db2.gz LOIGSAFBUUODIM-UHFFFAOYSA-N -1 3 394.866 3.918 20 0 GHADHM O=C(NCc1ccco1)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826443503 608046820 /nfs/dbraw/zinc/04/68/20/608046820.db2.gz RUSOHSULUOBOSG-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM O=C(NCc1ccco1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826443503 608046821 /nfs/dbraw/zinc/04/68/21/608046821.db2.gz RUSOHSULUOBOSG-UHFFFAOYSA-N -1 3 395.806 3.835 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000825075275 608085269 /nfs/dbraw/zinc/08/52/69/608085269.db2.gz OAWVJGNCDVJYST-FOIQADDNSA-N -1 3 391.475 3.594 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000825075275 608085270 /nfs/dbraw/zinc/08/52/70/608085270.db2.gz OAWVJGNCDVJYST-FOIQADDNSA-N -1 3 391.475 3.594 20 0 GHADHM Fc1ccc(C2(NC(=S)Nc3ccccc3-c3nnn[n-]3)CCC2)c(F)c1 ZINC000826374424 608095342 /nfs/dbraw/zinc/09/53/42/608095342.db2.gz YKSFVROOTWDVML-UHFFFAOYSA-N -1 3 386.431 3.511 20 0 GHADHM Fc1ccc(C2(NC(=S)Nc3ccccc3-c3nn[n-]n3)CCC2)c(F)c1 ZINC000826374424 608095343 /nfs/dbraw/zinc/09/53/43/608095343.db2.gz YKSFVROOTWDVML-UHFFFAOYSA-N -1 3 386.431 3.511 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1-c1nnn[n-]1 ZINC000826368696 608098800 /nfs/dbraw/zinc/09/88/00/608098800.db2.gz YWKJLACBBOTKFD-FRRDWIJNSA-N -1 3 387.456 3.677 20 0 GHADHM FC(F)(F)c1cc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1-c1nn[n-]n1 ZINC000826368696 608098801 /nfs/dbraw/zinc/09/88/01/608098801.db2.gz YWKJLACBBOTKFD-FRRDWIJNSA-N -1 3 387.456 3.677 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082329 608106381 /nfs/dbraw/zinc/10/63/81/608106381.db2.gz RZAJTTPDNMZYCH-JTQLQIEISA-N -1 3 384.419 3.695 20 0 GHADHM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082329 608106382 /nfs/dbraw/zinc/10/63/82/608106382.db2.gz RZAJTTPDNMZYCH-JTQLQIEISA-N -1 3 384.419 3.695 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824866464 608119671 /nfs/dbraw/zinc/11/96/71/608119671.db2.gz LSJMZTIGMKTAHG-SUMWQHHRSA-N -1 3 391.431 3.603 20 0 GHADHM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824866464 608119672 /nfs/dbraw/zinc/11/96/72/608119672.db2.gz LSJMZTIGMKTAHG-SUMWQHHRSA-N -1 3 391.431 3.603 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826368345 608153589 /nfs/dbraw/zinc/15/35/89/608153589.db2.gz MCGFAPLPAJQNME-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826368345 608153590 /nfs/dbraw/zinc/15/35/90/608153590.db2.gz MCGFAPLPAJQNME-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000824147676 608153746 /nfs/dbraw/zinc/15/37/46/608153746.db2.gz GKVOLNZVKTUWON-UHFFFAOYSA-N -1 3 380.786 3.607 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000824147676 608153748 /nfs/dbraw/zinc/15/37/48/608153748.db2.gz GKVOLNZVKTUWON-UHFFFAOYSA-N -1 3 380.786 3.607 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1ncccc1-c1nnn[n-]1 ZINC000826368226 608153754 /nfs/dbraw/zinc/15/37/54/608153754.db2.gz HWHNZMWZMDDPJQ-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM FC(F)(F)c1cc(Br)ccc1CNc1ncccc1-c1nn[n-]n1 ZINC000826368226 608153755 /nfs/dbraw/zinc/15/37/55/608153755.db2.gz HWHNZMWZMDDPJQ-UHFFFAOYSA-N -1 3 399.174 3.655 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000825788773 608173877 /nfs/dbraw/zinc/17/38/77/608173877.db2.gz VCRMRVVBIRMWNK-NSHDSACASA-N -1 3 395.854 3.632 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000825788773 608173879 /nfs/dbraw/zinc/17/38/79/608173879.db2.gz VCRMRVVBIRMWNK-NSHDSACASA-N -1 3 395.854 3.632 20 0 GHADHM CCSc1ccccc1C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000825674020 608176816 /nfs/dbraw/zinc/17/68/16/608176816.db2.gz FFEBZBOIWWEREJ-UHFFFAOYSA-N -1 3 393.476 3.601 20 0 GHADHM CCSc1ccccc1C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000825674020 608176817 /nfs/dbraw/zinc/17/68/17/608176817.db2.gz FFEBZBOIWWEREJ-UHFFFAOYSA-N -1 3 393.476 3.601 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000825787895 608177181 /nfs/dbraw/zinc/17/71/81/608177181.db2.gz LUEWGWWXGWLWKR-GOSISDBHSA-N -1 3 389.463 3.615 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000825787895 608177183 /nfs/dbraw/zinc/17/71/83/608177183.db2.gz LUEWGWWXGWLWKR-GOSISDBHSA-N -1 3 389.463 3.615 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826219766 608186077 /nfs/dbraw/zinc/18/60/77/608186077.db2.gz PXMXYZQKQFSKTK-AWEZNQCLSA-N -1 3 380.448 3.748 20 0 GHADHM COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826219766 608186078 /nfs/dbraw/zinc/18/60/78/608186078.db2.gz PXMXYZQKQFSKTK-AWEZNQCLSA-N -1 3 380.448 3.748 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000824756330 608205984 /nfs/dbraw/zinc/20/59/84/608205984.db2.gz NWCNAWWWQHWDJH-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000824756330 608205985 /nfs/dbraw/zinc/20/59/85/608205985.db2.gz NWCNAWWWQHWDJH-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000826421034 608208069 /nfs/dbraw/zinc/20/80/69/608208069.db2.gz NZBWEOQMNCNXIE-TZMCWYRMSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000826421034 608208070 /nfs/dbraw/zinc/20/80/70/608208070.db2.gz NZBWEOQMNCNXIE-TZMCWYRMSA-N -1 3 391.928 3.793 20 0 GHADHM Cc1cccc(C2=CCN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)c1 ZINC000826297890 608209857 /nfs/dbraw/zinc/20/98/57/608209857.db2.gz WCIVBHULGRWMLO-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM Cc1cccc(C2=CCN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CC2)c1 ZINC000826297890 608209858 /nfs/dbraw/zinc/20/98/58/608209858.db2.gz WCIVBHULGRWMLO-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM COc1ccc(OC)c([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826211261 608221881 /nfs/dbraw/zinc/22/18/81/608221881.db2.gz VXIKLGJTPSNJPR-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM COc1ccc(OC)c([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826211261 608221882 /nfs/dbraw/zinc/22/18/82/608221882.db2.gz VXIKLGJTPSNJPR-LBPRGKRZSA-N -1 3 376.420 3.605 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CCO1 ZINC000826353640 608227450 /nfs/dbraw/zinc/22/74/50/608227450.db2.gz XWAHCAFTAGTTGB-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CCO1 ZINC000826353640 608227451 /nfs/dbraw/zinc/22/74/51/608227451.db2.gz XWAHCAFTAGTTGB-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM CC(C)(C)c1nc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cs1 ZINC000824141632 608230228 /nfs/dbraw/zinc/23/02/28/608230228.db2.gz LHZPDHIXMNTAPO-UHFFFAOYSA-N -1 3 397.430 3.689 20 0 GHADHM CC(C)(C)c1nc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cs1 ZINC000824141632 608230230 /nfs/dbraw/zinc/23/02/30/608230230.db2.gz LHZPDHIXMNTAPO-UHFFFAOYSA-N -1 3 397.430 3.689 20 0 GHADHM O[C@@H](C[C@@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826503121 608230915 /nfs/dbraw/zinc/23/09/15/608230915.db2.gz RBMCURKVRVOLJQ-ICSRJNTNSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@@H](C[C@@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826503121 608230917 /nfs/dbraw/zinc/23/09/17/608230917.db2.gz RBMCURKVRVOLJQ-ICSRJNTNSA-N -1 3 386.459 3.507 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826262390 608233655 /nfs/dbraw/zinc/23/36/55/608233655.db2.gz NNMAXOULXVTGCB-SFHVURJKSA-N -1 3 375.411 3.614 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826262390 608233657 /nfs/dbraw/zinc/23/36/57/608233657.db2.gz NNMAXOULXVTGCB-SFHVURJKSA-N -1 3 375.411 3.614 20 0 GHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000824737264 608251539 /nfs/dbraw/zinc/25/15/39/608251539.db2.gz DMNCBLXAUINNTK-GFCCVEGCSA-N -1 3 399.426 3.589 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000119722466 608268530 /nfs/dbraw/zinc/26/85/30/608268530.db2.gz BLUUKJWQCHIOHV-VQIMIIECSA-N -1 3 385.512 3.639 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000119722466 608268535 /nfs/dbraw/zinc/26/85/35/608268535.db2.gz BLUUKJWQCHIOHV-VQIMIIECSA-N -1 3 385.512 3.639 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826368581 608296644 /nfs/dbraw/zinc/29/66/44/608296644.db2.gz VHTGOVJDAIYUCQ-CHWSQXEVSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1ccc(N2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826368581 608296646 /nfs/dbraw/zinc/29/66/46/608296646.db2.gz VHTGOVJDAIYUCQ-CHWSQXEVSA-N -1 3 381.402 3.529 20 0 GHADHM COC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826151455 608297786 /nfs/dbraw/zinc/29/77/86/608297786.db2.gz BIHUJPIPLQCUSG-OAHLLOKOSA-N -1 3 399.323 3.963 20 0 GHADHM COC[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826151455 608297788 /nfs/dbraw/zinc/29/77/88/608297788.db2.gz BIHUJPIPLQCUSG-OAHLLOKOSA-N -1 3 399.323 3.963 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1F ZINC000826229754 608307847 /nfs/dbraw/zinc/30/78/47/608307847.db2.gz PZLXEBLABUFJRM-UHFFFAOYSA-N -1 3 387.440 3.767 20 0 GHADHM CSc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1F ZINC000826229754 608307849 /nfs/dbraw/zinc/30/78/49/608307849.db2.gz PZLXEBLABUFJRM-UHFFFAOYSA-N -1 3 387.440 3.767 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C[C@H]1C ZINC000824955915 608312843 /nfs/dbraw/zinc/31/28/43/608312843.db2.gz PHPGNALDGYQNGH-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C[C@H]1C ZINC000824955915 608312844 /nfs/dbraw/zinc/31/28/44/608312844.db2.gz PHPGNALDGYQNGH-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM Cc1nnc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(F)cc2C)s1 ZINC000826335577 608317710 /nfs/dbraw/zinc/31/77/10/608317710.db2.gz SQLZVJHOMYFBGU-UHFFFAOYSA-N -1 3 395.467 3.681 20 0 GHADHM Cc1nnc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2C)s1 ZINC000826335577 608317712 /nfs/dbraw/zinc/31/77/12/608317712.db2.gz SQLZVJHOMYFBGU-UHFFFAOYSA-N -1 3 395.467 3.681 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1csc(-c2ccccn2)n1 ZINC000826173488 608322521 /nfs/dbraw/zinc/32/25/21/608322521.db2.gz GOWQFFFHZCQCMA-UHFFFAOYSA-N -1 3 396.501 3.827 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1csc(-c2ccccn2)n1 ZINC000826173488 608322524 /nfs/dbraw/zinc/32/25/24/608322524.db2.gz GOWQFFFHZCQCMA-UHFFFAOYSA-N -1 3 396.501 3.827 20 0 GHADHM Cc1ccsc1CCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826316610 608324179 /nfs/dbraw/zinc/32/41/79/608324179.db2.gz STDIJVCOBVAVGO-UHFFFAOYSA-N -1 3 382.276 3.516 20 0 GHADHM Cc1ccsc1CCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826316610 608324181 /nfs/dbraw/zinc/32/41/81/608324181.db2.gz STDIJVCOBVAVGO-UHFFFAOYSA-N -1 3 382.276 3.516 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000826441114 608328633 /nfs/dbraw/zinc/32/86/33/608328633.db2.gz OIOLEDQSMUQGMH-QFIPXVFZSA-N -1 3 395.466 3.880 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000826441114 608328634 /nfs/dbraw/zinc/32/86/34/608328634.db2.gz OIOLEDQSMUQGMH-QFIPXVFZSA-N -1 3 395.466 3.880 20 0 GHADHM Cc1ccsc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826316674 608338154 /nfs/dbraw/zinc/33/81/54/608338154.db2.gz VCYCLUXEWDLMCQ-UHFFFAOYSA-N -1 3 396.398 3.620 20 0 GHADHM Cc1ccsc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826316674 608338156 /nfs/dbraw/zinc/33/81/56/608338156.db2.gz VCYCLUXEWDLMCQ-UHFFFAOYSA-N -1 3 396.398 3.620 20 0 GHADHM CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391304 608342699 /nfs/dbraw/zinc/34/26/99/608342699.db2.gz XRVMDTMAYBJVEV-UHFFFAOYSA-N -1 3 399.838 3.607 20 0 GHADHM CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391304 608342701 /nfs/dbraw/zinc/34/27/01/608342701.db2.gz XRVMDTMAYBJVEV-UHFFFAOYSA-N -1 3 399.838 3.607 20 0 GHADHM CSc1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1C ZINC000826230903 608388966 /nfs/dbraw/zinc/38/89/66/608388966.db2.gz OFHXTCLEHIWSAA-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM CSc1cccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1C ZINC000826230903 608388968 /nfs/dbraw/zinc/38/89/68/608388968.db2.gz OFHXTCLEHIWSAA-UHFFFAOYSA-N -1 3 388.884 3.601 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3F)o2)cc1C ZINC000826273712 608394294 /nfs/dbraw/zinc/39/42/94/608394294.db2.gz QQUBNBMPHBGIDS-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1ccc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3F)o2)cc1C ZINC000826273712 608394296 /nfs/dbraw/zinc/39/42/96/608394296.db2.gz QQUBNBMPHBGIDS-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Fc1c(CN2CCCC[C@H]2c2nc3ccccc3o2)cccc1-c1nnn[n-]1 ZINC000826370953 608408666 /nfs/dbraw/zinc/40/86/66/608408666.db2.gz MUHFDWBZECNLCY-INIZCTEOSA-N -1 3 378.411 3.874 20 0 GHADHM Fc1c(CN2CCCC[C@H]2c2nc3ccccc3o2)cccc1-c1nn[n-]n1 ZINC000826370953 608408668 /nfs/dbraw/zinc/40/86/68/608408668.db2.gz MUHFDWBZECNLCY-INIZCTEOSA-N -1 3 378.411 3.874 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824104224 608409330 /nfs/dbraw/zinc/40/93/30/608409330.db2.gz PJELRXDLHYWVAX-UHFFFAOYSA-N -1 3 389.525 3.747 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824104224 608409333 /nfs/dbraw/zinc/40/93/33/608409333.db2.gz PJELRXDLHYWVAX-UHFFFAOYSA-N -1 3 389.525 3.747 20 0 GHADHM Cc1sc2ncnc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2c1C ZINC000826350136 608443467 /nfs/dbraw/zinc/44/34/67/608443467.db2.gz JSFBEXZRLRFWOK-UHFFFAOYSA-N -1 3 389.488 3.782 20 0 GHADHM Cc1sc2ncnc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)c2c1C ZINC000826350136 608443469 /nfs/dbraw/zinc/44/34/69/608443469.db2.gz JSFBEXZRLRFWOK-UHFFFAOYSA-N -1 3 389.488 3.782 20 0 GHADHM CC[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1OC(F)F ZINC000825147614 608456487 /nfs/dbraw/zinc/45/64/87/608456487.db2.gz KQWFCGSTBMJXQS-AWEZNQCLSA-N -1 3 377.370 3.848 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826401328 608479176 /nfs/dbraw/zinc/47/91/76/608479176.db2.gz VRUDUZAOPVLVOT-KRXBUXKQSA-N -1 3 396.454 3.677 20 0 GHADHM O=C(C=Cc1ccc2[nH]ccc2c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826401328 608479178 /nfs/dbraw/zinc/47/91/78/608479178.db2.gz VRUDUZAOPVLVOT-KRXBUXKQSA-N -1 3 396.454 3.677 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825154797 608479770 /nfs/dbraw/zinc/47/97/70/608479770.db2.gz UBGCDUAISJBUJX-HXUWFJFHSA-N -1 3 395.507 3.610 20 0 GHADHM CC[C@@H](OC1CCCCC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825154797 608479771 /nfs/dbraw/zinc/47/97/71/608479771.db2.gz UBGCDUAISJBUJX-HXUWFJFHSA-N -1 3 395.507 3.610 20 0 GHADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1F ZINC000824384723 608482640 /nfs/dbraw/zinc/48/26/40/608482640.db2.gz GFCJLOXNRPGBFR-OAHLLOKOSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1F ZINC000824384723 608482641 /nfs/dbraw/zinc/48/26/41/608482641.db2.gz GFCJLOXNRPGBFR-OAHLLOKOSA-N -1 3 391.450 3.815 20 0 GHADHM CCc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825712427 608483136 /nfs/dbraw/zinc/48/31/36/608483136.db2.gz RLTJUDBCRBLHGH-UHFFFAOYSA-N -1 3 387.487 3.678 20 0 GHADHM CCc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825712427 608483139 /nfs/dbraw/zinc/48/31/39/608483139.db2.gz RLTJUDBCRBLHGH-UHFFFAOYSA-N -1 3 387.487 3.678 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826404480 608483684 /nfs/dbraw/zinc/48/36/84/608483684.db2.gz BVCFMNJATWVLLT-DUXPYHPUSA-N -1 3 389.434 3.725 20 0 GHADHM O=C(C/C=C/c1cccc(F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826404480 608483686 /nfs/dbraw/zinc/48/36/86/608483686.db2.gz BVCFMNJATWVLLT-DUXPYHPUSA-N -1 3 389.434 3.725 20 0 GHADHM CC(C)(NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824166263 608551636 /nfs/dbraw/zinc/55/16/36/608551636.db2.gz GNJNOZVUHDFKSH-UHFFFAOYSA-N -1 3 390.260 3.793 20 0 GHADHM CC(C)(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Br ZINC000824167796 608551700 /nfs/dbraw/zinc/55/17/00/608551700.db2.gz VPDWDFXBXBLTCF-UHFFFAOYSA-N -1 3 390.260 3.793 20 0 GHADHM CCOc1ccc(C2=CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000825638641 608555707 /nfs/dbraw/zinc/55/57/07/608555707.db2.gz MQNRAQGXPYBWDX-UHFFFAOYSA-N -1 3 382.855 3.608 20 0 GHADHM CCOc1ccc(C2=CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000825638641 608555708 /nfs/dbraw/zinc/55/57/08/608555708.db2.gz MQNRAQGXPYBWDX-UHFFFAOYSA-N -1 3 382.855 3.608 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826442056 608572500 /nfs/dbraw/zinc/57/25/00/608572500.db2.gz HQALLDASTPAWCG-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000826442056 608572501 /nfs/dbraw/zinc/57/25/01/608572501.db2.gz HQALLDASTPAWCG-UHFFFAOYSA-N -1 3 394.866 3.519 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000824319305 608582270 /nfs/dbraw/zinc/58/22/70/608582270.db2.gz LMAZXMJJGYOVQV-OAHLLOKOSA-N -1 3 397.866 3.976 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000824319305 608582271 /nfs/dbraw/zinc/58/22/71/608582271.db2.gz LMAZXMJJGYOVQV-OAHLLOKOSA-N -1 3 397.866 3.976 20 0 GHADHM Cc1ncsc1CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826331598 608612883 /nfs/dbraw/zinc/61/28/83/608612883.db2.gz PUDRHRPXLSQFPT-UHFFFAOYSA-N -1 3 394.479 3.973 20 0 GHADHM Cc1cc2cc(CN3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)oc2cc1C ZINC000826272837 608854806 /nfs/dbraw/zinc/85/48/06/608854806.db2.gz DGCXFIYYVZQNHJ-OAQYLSRUSA-N -1 3 389.459 3.803 20 0 GHADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826332177 608868265 /nfs/dbraw/zinc/86/82/65/608868265.db2.gz LZSYAUHNZDRZIU-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826332177 608868267 /nfs/dbraw/zinc/86/82/67/608868267.db2.gz LZSYAUHNZDRZIU-UHFFFAOYSA-N -1 3 381.390 3.560 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824909417 609151381 /nfs/dbraw/zinc/15/13/81/609151381.db2.gz TWHOZZZLGFSEHE-BDAKNGLRSA-N -1 3 388.781 3.715 20 0 GHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824909417 609151383 /nfs/dbraw/zinc/15/13/83/609151383.db2.gz TWHOZZZLGFSEHE-BDAKNGLRSA-N -1 3 388.781 3.715 20 0 GHADHM Fc1cccc(F)c1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000826371304 609151748 /nfs/dbraw/zinc/15/17/48/609151748.db2.gz AXFBXYSPSDCCML-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Fc1cccc(F)c1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000826371304 609151750 /nfs/dbraw/zinc/15/17/50/609151750.db2.gz AXFBXYSPSDCCML-CQSZACIVSA-N -1 3 387.287 3.677 20 0 GHADHM Cc1nc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)c(C)s1 ZINC000826323443 609168622 /nfs/dbraw/zinc/16/86/22/609168622.db2.gz DTULCINSFAMZHI-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM Cc1nc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)c(C)s1 ZINC000826323443 609168623 /nfs/dbraw/zinc/16/86/23/609168623.db2.gz DTULCINSFAMZHI-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657177 609236485 /nfs/dbraw/zinc/23/64/85/609236485.db2.gz PFFPPKACWYPVJH-HNNXBMFYSA-N -1 3 379.464 3.845 20 0 GHADHM C[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657177 609236487 /nfs/dbraw/zinc/23/64/87/609236487.db2.gz PFFPPKACWYPVJH-HNNXBMFYSA-N -1 3 379.464 3.845 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662268 609273260 /nfs/dbraw/zinc/27/32/60/609273260.db2.gz GYLFKUULEYKUCY-LBPRGKRZSA-N -1 3 382.443 3.707 20 0 GHADHM C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662268 609273261 /nfs/dbraw/zinc/27/32/61/609273261.db2.gz GYLFKUULEYKUCY-LBPRGKRZSA-N -1 3 382.443 3.707 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@@H](C)C2 ZINC000825621387 609273859 /nfs/dbraw/zinc/27/38/59/609273859.db2.gz RSVUUYFHRIAPNG-NWDGAFQWSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nn[n-]n3)c(F)c1)O[C@@H](C)C2 ZINC000825621387 609273860 /nfs/dbraw/zinc/27/38/60/609273860.db2.gz RSVUUYFHRIAPNG-NWDGAFQWSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@@H](C)C2 ZINC000825621388 609273895 /nfs/dbraw/zinc/27/38/95/609273895.db2.gz RSVUUYFHRIAPNG-RYUDHWBXSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@@H](C)c1ccc(-c3nn[n-]n3)c(F)c1)O[C@@H](C)C2 ZINC000825621388 609273896 /nfs/dbraw/zinc/27/38/96/609273896.db2.gz RSVUUYFHRIAPNG-RYUDHWBXSA-N -1 3 383.427 3.901 20 0 GHADHM COc1cc(Br)cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826177193 609281494 /nfs/dbraw/zinc/28/14/94/609281494.db2.gz WAUWSOVZGQZGQO-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(Br)cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826177193 609281495 /nfs/dbraw/zinc/28/14/95/609281495.db2.gz WAUWSOVZGQZGQO-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824136247 609281574 /nfs/dbraw/zinc/28/15/74/609281574.db2.gz OBWJQBLJSAEIGY-UHFFFAOYSA-N -1 3 376.464 3.754 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824136247 609281576 /nfs/dbraw/zinc/28/15/76/609281576.db2.gz OBWJQBLJSAEIGY-UHFFFAOYSA-N -1 3 376.464 3.754 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(Br)c1 ZINC000826209406 609281799 /nfs/dbraw/zinc/28/17/99/609281799.db2.gz AJWQQIUBWTYJEW-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(Br)c1 ZINC000826209406 609281801 /nfs/dbraw/zinc/28/18/01/609281801.db2.gz AJWQQIUBWTYJEW-VIFPVBQESA-N -1 3 392.232 3.950 20 0 GHADHM CC(C)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000824347697 609290577 /nfs/dbraw/zinc/29/05/77/609290577.db2.gz KOOHQMSRTSLYNE-UHFFFAOYSA-N -1 3 391.410 3.567 20 0 GHADHM Cc1nnc(SCCSc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1C ZINC000826337236 609307757 /nfs/dbraw/zinc/30/77/57/609307757.db2.gz IAMVGPHPABOAMX-UHFFFAOYSA-N -1 3 378.914 3.811 20 0 GHADHM Cc1nnc(SCCSc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1C ZINC000826337236 609307758 /nfs/dbraw/zinc/30/77/58/609307758.db2.gz IAMVGPHPABOAMX-UHFFFAOYSA-N -1 3 378.914 3.811 20 0 GHADHM Cc1sc(C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1C=O ZINC000826349432 609309823 /nfs/dbraw/zinc/30/98/23/609309823.db2.gz HSEYBRTWNVDING-FPLPWBNLSA-N -1 3 376.445 3.620 20 0 GHADHM Cc1sc(C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1C=O ZINC000826349432 609309824 /nfs/dbraw/zinc/30/98/24/609309824.db2.gz HSEYBRTWNVDING-FPLPWBNLSA-N -1 3 376.445 3.620 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826426053 609312337 /nfs/dbraw/zinc/31/23/37/609312337.db2.gz DAIGOGCQDPQJLB-UHFFFAOYSA-N -1 3 375.432 3.577 20 0 GHADHM O=C(NC(C1CC1)C1CC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826426053 609312338 /nfs/dbraw/zinc/31/23/38/609312338.db2.gz DAIGOGCQDPQJLB-UHFFFAOYSA-N -1 3 375.432 3.577 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000824936066 609315419 /nfs/dbraw/zinc/31/54/19/609315419.db2.gz DRFJMDUVJIDVSR-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000824936066 609315420 /nfs/dbraw/zinc/31/54/20/609315420.db2.gz DRFJMDUVJIDVSR-OAHLLOKOSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825165260 609328981 /nfs/dbraw/zinc/32/89/81/609328981.db2.gz XHLDGLFZBWETMA-NRFANRHFSA-N -1 3 377.448 3.921 20 0 GHADHM CC[C@@]1(C)CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825165260 609328983 /nfs/dbraw/zinc/32/89/83/609328983.db2.gz XHLDGLFZBWETMA-NRFANRHFSA-N -1 3 377.448 3.921 20 0 GHADHM C[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824539274 609331408 /nfs/dbraw/zinc/33/14/08/609331408.db2.gz MKLQCMCOHZXIDZ-SJCJKPOMSA-N -1 3 380.452 3.903 20 0 GHADHM C[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539274 609331410 /nfs/dbraw/zinc/33/14/10/609331410.db2.gz MKLQCMCOHZXIDZ-SJCJKPOMSA-N -1 3 380.452 3.903 20 0 GHADHM COCCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826155853 609353639 /nfs/dbraw/zinc/35/36/39/609353639.db2.gz FFWATKIVHRWQRH-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM COCCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826155853 609353641 /nfs/dbraw/zinc/35/36/41/609353641.db2.gz FFWATKIVHRWQRH-UHFFFAOYSA-N -1 3 382.420 3.633 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000824522810 609363419 /nfs/dbraw/zinc/36/34/19/609363419.db2.gz VRIBGLOQRPQCPT-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000824522810 609363420 /nfs/dbraw/zinc/36/34/20/609363420.db2.gz VRIBGLOQRPQCPT-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM Cc1nc2cc(NC(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)ccc2s1 ZINC000826328559 609366617 /nfs/dbraw/zinc/36/66/17/609366617.db2.gz WADRQVGMYZPOTE-UHFFFAOYSA-N -1 3 391.460 3.596 20 0 GHADHM Cc1nc2cc(NC(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)ccc2s1 ZINC000826328559 609366618 /nfs/dbraw/zinc/36/66/18/609366618.db2.gz WADRQVGMYZPOTE-UHFFFAOYSA-N -1 3 391.460 3.596 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367428 609375466 /nfs/dbraw/zinc/37/54/66/609375466.db2.gz PWCPNKLKRQHDIG-GPMSIDNRSA-N -1 3 385.512 3.618 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367428 609375469 /nfs/dbraw/zinc/37/54/69/609375469.db2.gz PWCPNKLKRQHDIG-GPMSIDNRSA-N -1 3 385.512 3.618 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C[C@H]1F ZINC000824946345 609380739 /nfs/dbraw/zinc/38/07/39/609380739.db2.gz ISLIAIALCWOYFO-FZKQIMNGSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C[C@H]1F ZINC000824946345 609380742 /nfs/dbraw/zinc/38/07/42/609380742.db2.gz ISLIAIALCWOYFO-FZKQIMNGSA-N -1 3 396.426 3.871 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCS1 ZINC000825203586 609385209 /nfs/dbraw/zinc/38/52/09/609385209.db2.gz NMGCTKJPIWGKSN-CQSZACIVSA-N -1 3 395.488 3.627 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCS1 ZINC000825203586 609385210 /nfs/dbraw/zinc/38/52/10/609385210.db2.gz NMGCTKJPIWGKSN-CQSZACIVSA-N -1 3 395.488 3.627 20 0 GHADHM Cc1cc(N[C@@H](C)c2cncc(F)c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826270710 609387284 /nfs/dbraw/zinc/38/72/84/609387284.db2.gz LSHUCFWHJUHECH-LBPRGKRZSA-N -1 3 388.410 3.683 20 0 GHADHM Cc1cc(N[C@@H](C)c2cncc(F)c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826270710 609387287 /nfs/dbraw/zinc/38/72/87/609387287.db2.gz LSHUCFWHJUHECH-LBPRGKRZSA-N -1 3 388.410 3.683 20 0 GHADHM OCc1ccc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826510479 609438685 /nfs/dbraw/zinc/43/86/85/609438685.db2.gz TVFHCTROPKEVHF-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM OCc1ccc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826510479 609438688 /nfs/dbraw/zinc/43/86/88/609438688.db2.gz TVFHCTROPKEVHF-UHFFFAOYSA-N -1 3 387.443 3.550 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000826184482 609446226 /nfs/dbraw/zinc/44/62/26/609446226.db2.gz YTAOXQNOZBOOAG-UHFFFAOYSA-N -1 3 389.406 3.943 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000826184482 609446228 /nfs/dbraw/zinc/44/62/28/609446228.db2.gz YTAOXQNOZBOOAG-UHFFFAOYSA-N -1 3 389.406 3.943 20 0 GHADHM Fc1cccc(F)c1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826377320 609447046 /nfs/dbraw/zinc/44/70/46/609447046.db2.gz MTQJTJRFUXCDBG-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM Fc1cccc(F)c1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826377320 609447047 /nfs/dbraw/zinc/44/70/47/609447047.db2.gz MTQJTJRFUXCDBG-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM C[C@H](NC(=O)OCC(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824506726 609454577 /nfs/dbraw/zinc/45/45/77/609454577.db2.gz PYQAGQHCGCIBFB-NSHDSACASA-N -1 3 391.353 3.883 20 0 GHADHM C[C@H](NC(=O)OCC(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824506726 609454580 /nfs/dbraw/zinc/45/45/80/609454580.db2.gz PYQAGQHCGCIBFB-NSHDSACASA-N -1 3 391.353 3.883 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1CC=CCC1 ZINC000826473040 609455738 /nfs/dbraw/zinc/45/57/38/609455738.db2.gz IBFHGBANDSIICS-UHFFFAOYSA-N -1 3 381.823 3.715 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1CC=CCC1 ZINC000826473040 609455739 /nfs/dbraw/zinc/45/57/39/609455739.db2.gz IBFHGBANDSIICS-UHFFFAOYSA-N -1 3 381.823 3.715 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826429951 609477061 /nfs/dbraw/zinc/47/70/61/609477061.db2.gz QJIYMSBJOHRTHI-UHFFFAOYSA-N -1 3 394.454 3.680 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826429951 609477065 /nfs/dbraw/zinc/47/70/65/609477065.db2.gz QJIYMSBJOHRTHI-UHFFFAOYSA-N -1 3 394.454 3.680 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000825632261 609477382 /nfs/dbraw/zinc/47/73/82/609477382.db2.gz NKVXUDPWNFBBHM-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000825632261 609477384 /nfs/dbraw/zinc/47/73/84/609477384.db2.gz NKVXUDPWNFBBHM-UHFFFAOYSA-N -1 3 379.342 3.618 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cnc([C@H]2CCCO2)s1 ZINC000824324997 609479073 /nfs/dbraw/zinc/47/90/73/609479073.db2.gz XUUNNYRBRVICKM-MRXNPFEDSA-N -1 3 386.481 3.574 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cnc([C@H]2CCCO2)s1 ZINC000824324997 609479075 /nfs/dbraw/zinc/47/90/75/609479075.db2.gz XUUNNYRBRVICKM-MRXNPFEDSA-N -1 3 386.481 3.574 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824010730 609485023 /nfs/dbraw/zinc/48/50/23/609485023.db2.gz RMEHXOPKZZYKBX-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CC(=O)c1cc(Br)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824010730 609485025 /nfs/dbraw/zinc/48/50/25/609485025.db2.gz RMEHXOPKZZYKBX-UHFFFAOYSA-N -1 3 390.216 3.583 20 0 GHADHM CCN(CC)c1ncc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000825416413 609490029 /nfs/dbraw/zinc/49/00/29/609490029.db2.gz IKAICMLXBDNMMD-UHFFFAOYSA-N -1 3 387.513 3.569 20 0 GHADHM CCN(CC)c1ncc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000825416413 609490032 /nfs/dbraw/zinc/49/00/32/609490032.db2.gz IKAICMLXBDNMMD-UHFFFAOYSA-N -1 3 387.513 3.569 20 0 GHADHM CC(C)Oc1ccc(NCc2c[nH]c(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000824328797 609491657 /nfs/dbraw/zinc/49/16/57/609491657.db2.gz AURJDFWQHIKIQG-UHFFFAOYSA-N -1 3 375.436 3.656 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)CCO1 ZINC000825255688 609508614 /nfs/dbraw/zinc/50/86/14/609508614.db2.gz YNKXWGUGLCACMP-FRRDWIJNSA-N -1 3 389.525 3.587 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)CCO1 ZINC000825255688 609508616 /nfs/dbraw/zinc/50/86/16/609508616.db2.gz YNKXWGUGLCACMP-FRRDWIJNSA-N -1 3 389.525 3.587 20 0 GHADHM CCCCCN(CCCOC)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825275849 609510191 /nfs/dbraw/zinc/51/01/91/609510191.db2.gz DWIRTMAQOVTNOH-UHFFFAOYSA-N -1 3 396.948 3.746 20 0 GHADHM CCCCCN(CCCOC)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825275849 609510194 /nfs/dbraw/zinc/51/01/94/609510194.db2.gz DWIRTMAQOVTNOH-UHFFFAOYSA-N -1 3 396.948 3.746 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000824314454 609538689 /nfs/dbraw/zinc/53/86/89/609538689.db2.gz AVSMFKZXLHLDMA-BQYQJAHWSA-N -1 3 385.374 3.584 20 0 GHADHM CC(C)Oc1c(F)cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000824314454 609538691 /nfs/dbraw/zinc/53/86/91/609538691.db2.gz AVSMFKZXLHLDMA-BQYQJAHWSA-N -1 3 385.374 3.584 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Br)c1Cl ZINC000826454660 609594125 /nfs/dbraw/zinc/59/41/25/609594125.db2.gz FTFVCGBLIZRHLE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Br)c1Cl ZINC000826454660 609594126 /nfs/dbraw/zinc/59/41/26/609594126.db2.gz FTFVCGBLIZRHLE-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826250396 609606148 /nfs/dbraw/zinc/60/61/48/609606148.db2.gz YWABNJPSEIDDKP-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826250396 609606149 /nfs/dbraw/zinc/60/61/49/609606149.db2.gz YWABNJPSEIDDKP-UHFFFAOYSA-N -1 3 379.754 3.682 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1Cl ZINC000826466169 609623547 /nfs/dbraw/zinc/62/35/47/609623547.db2.gz RAYCCXAOWKOWCG-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1Cl ZINC000826466169 609623549 /nfs/dbraw/zinc/62/35/49/609623549.db2.gz RAYCCXAOWKOWCG-UHFFFAOYSA-N -1 3 393.628 3.640 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(C2CCC2)C1 ZINC000580106976 837385190 /nfs/dbraw/zinc/38/51/90/837385190.db2.gz FIBWIMXQWDQHJE-NRFANRHFSA-N -1 3 378.472 3.512 20 0 GHADHM Cc1nc(C(F)(F)F)ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782697860 837498859 /nfs/dbraw/zinc/49/88/59/837498859.db2.gz UKRGETWUPPOTEI-UHFFFAOYSA-N -1 3 379.294 3.521 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000605588028 837577690 /nfs/dbraw/zinc/57/76/90/837577690.db2.gz CLRFCAFQZBTMEM-UHFFFAOYSA-N -1 3 377.334 3.951 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000650946283 837613628 /nfs/dbraw/zinc/61/36/28/837613628.db2.gz 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CCCN(C(=O)c1ccc(C)cc1[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000094138125 834726668 /nfs/dbraw/zinc/72/66/68/834726668.db2.gz OLMROUNLMZXVRL-UHFFFAOYSA-N -1 3 382.508 3.629 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(-c4ccsc4)s3)nc21 ZINC000157798565 834873698 /nfs/dbraw/zinc/87/36/98/834873698.db2.gz XASMIDCLFPNXTI-UHFFFAOYSA-N -1 3 384.442 3.787 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000467966714 834904711 /nfs/dbraw/zinc/90/47/11/834904711.db2.gz BMILTPQJIPNQPD-UHFFFAOYSA-N -1 3 385.811 3.690 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(Br)c2)cc1 ZINC000683171626 834910973 /nfs/dbraw/zinc/91/09/73/834910973.db2.gz NNJNFJZJSHIXRQ-INIZCTEOSA-N -1 3 394.265 3.772 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000064720825 835045967 /nfs/dbraw/zinc/04/59/67/835045967.db2.gz XBIRBOKSBASAGA-UHFFFAOYSA-N -1 3 379.416 3.972 20 0 GHADHM CC(C)CCn1nccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000547668320 835049872 /nfs/dbraw/zinc/04/98/72/835049872.db2.gz 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ZINC000433366971 844055403 /nfs/dbraw/zinc/05/54/03/844055403.db2.gz SQQSIPPWGIFGMB-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM CSc1ccc(O[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151526797 835492973 /nfs/dbraw/zinc/49/29/73/835492973.db2.gz RDFGTGLHTFAQAL-NSHDSACASA-N -1 3 396.306 3.960 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000655325019 835531443 /nfs/dbraw/zinc/53/14/43/835531443.db2.gz RFTWZSCDPLGPPO-UHFFFAOYSA-N -1 3 394.349 3.668 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnn(-c4ccccc4F)c3)c[n-]c12 ZINC000158852318 835557437 /nfs/dbraw/zinc/55/74/37/835557437.db2.gz XJNXEKVUKYERTP-UHFFFAOYSA-N -1 3 380.354 3.553 20 0 GHADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(OCc2cccnc2)cc1 ZINC000548872820 835696562 /nfs/dbraw/zinc/69/65/62/835696562.db2.gz GTMNCXZMBVRVBO-CYBMUJFWSA-N -1 3 391.406 3.562 20 0 GHADHM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(CN2CCSCC2)cc1 ZINC000511250627 835882467 /nfs/dbraw/zinc/88/24/67/835882467.db2.gz ZOIGGSUEVQAEPQ-UHFFFAOYSA-N -1 3 394.500 3.583 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)[nH][n-]1 ZINC000547745901 835981642 /nfs/dbraw/zinc/98/16/42/835981642.db2.gz YZPWFKQRWNYABJ-RISCZKNCSA-N -1 3 389.883 3.741 20 0 GHADHM COc1cc(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)cc(OC)c1[O-] ZINC000458012847 836089781 /nfs/dbraw/zinc/08/97/81/836089781.db2.gz MZYFQSBYTKHIKD-UHFFFAOYSA-N -1 3 375.852 3.816 20 0 GHADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)c1cccs1 ZINC000610756775 844128610 /nfs/dbraw/zinc/12/86/10/844128610.db2.gz OLIFNSSIYBISSU-ZDUSSCGKSA-N -1 3 397.449 3.525 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1Cl ZINC000045743791 836170604 /nfs/dbraw/zinc/17/06/04/836170604.db2.gz ZFVPGAYWRKGEGW-ZDUSSCGKSA-N -1 3 385.316 3.798 20 0 GHADHM O=S(=O)([N-]CCc1cc2ccccc2[nH]1)c1cc(Br)ccc1F ZINC000433427903 844137779 /nfs/dbraw/zinc/13/77/79/844137779.db2.gz QLVRGDWDENTHEU-UHFFFAOYSA-N -1 3 397.269 3.591 20 0 GHADHM O=S(=O)([N-]Cc1cc(Br)ccc1F)c1ccc(Cl)s1 ZINC000041065329 844165107 /nfs/dbraw/zinc/16/51/07/844165107.db2.gz AALMAZZBMKZRFA-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)c2)n1 ZINC000174650778 836518004 /nfs/dbraw/zinc/51/80/04/836518004.db2.gz VWAZFIQORPTHML-GBXCKJPGSA-N -1 3 385.467 3.842 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000024550810 844179021 /nfs/dbraw/zinc/17/90/21/844179021.db2.gz PFQZFRJZVWYXPA-UHFFFAOYSA-N -1 3 390.480 3.816 20 0 GHADHM CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174957576 836609936 /nfs/dbraw/zinc/60/99/36/836609936.db2.gz USGKYZIIUFHIPM-UHFFFAOYSA-N -1 3 396.871 3.940 20 0 GHADHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc2oc3ccccc3c2c1 ZINC000612707119 836642849 /nfs/dbraw/zinc/64/28/49/836642849.db2.gz IIJIHIUIVOLWAW-UHFFFAOYSA-N -1 3 389.411 3.843 20 0 GHADHM CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000175100528 836651664 /nfs/dbraw/zinc/65/16/64/836651664.db2.gz AYHTYNFESMYBKQ-UHFFFAOYSA-N -1 3 376.453 3.547 20 0 GHADHM CCCCOc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OCC ZINC000636115432 836713638 /nfs/dbraw/zinc/71/36/38/836713638.db2.gz YUJQQPASUORYBW-UHFFFAOYSA-N -1 3 387.480 3.733 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)[N-]NC(=S)Nc1ccccc1C(C)C ZINC000066123365 836826459 /nfs/dbraw/zinc/82/64/59/836826459.db2.gz UQLOTPOBGBUYTD-UHFFFAOYSA-N -1 3 393.516 3.936 20 0 GHADHM COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015898067 836837615 /nfs/dbraw/zinc/83/76/15/836837615.db2.gz BKNKUZVRCNSKDD-AAEUAGOBSA-N -1 3 394.880 3.744 20 0 GHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCCO3)cc1C ZINC000650202549 836899735 /nfs/dbraw/zinc/89/97/35/836899735.db2.gz XEWIOAWGWOXREX-UHFFFAOYSA-N -1 3 383.853 3.619 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(-c3cccc(F)c3)no2)c(F)cc1F ZINC000175806023 837020467 /nfs/dbraw/zinc/02/04/67/837020467.db2.gz CCCWVQNSFYKNEB-SNVBAGLBSA-N -1 3 397.378 3.502 20 0 GHADHM O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000175898866 837058682 /nfs/dbraw/zinc/05/86/82/837058682.db2.gz SFWWSXSYJJCFSG-HNNXBMFYSA-N -1 3 378.350 3.654 20 0 GHADHM Cc1cccc2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])nc21 ZINC000048029759 844246360 /nfs/dbraw/zinc/24/63/60/844246360.db2.gz WDIMIABOMSMUAT-AWEZNQCLSA-N -1 3 381.457 3.554 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000471311520 837202822 /nfs/dbraw/zinc/20/28/22/837202822.db2.gz TYPYXUWDNKUOQW-HNNXBMFYSA-N -1 3 388.464 3.685 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccccc1 ZINC001210121349 837324242 /nfs/dbraw/zinc/32/42/42/837324242.db2.gz ZIPUNAFOEZLJHJ-OAQYLSRUSA-N -1 3 395.480 3.936 20 0 GHADHM CC[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)CC(F)(F)F ZINC000413387211 837853459 /nfs/dbraw/zinc/85/34/59/837853459.db2.gz NGXJUWCYEVBQGR-SECBINFHSA-N -1 3 383.208 3.933 20 0 GHADHM CNC(=O)c1ccc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000177391455 837936021 /nfs/dbraw/zinc/93/60/21/837936021.db2.gz LYFOHAYEZYTIPY-UHFFFAOYSA-N -1 3 390.439 3.816 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1csc(-c2ccccn2)n1 ZINC000728714616 838009685 /nfs/dbraw/zinc/00/96/85/838009685.db2.gz UPYQCXDIGHFPLG-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1cc([C@@H](C)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)oc1C(=O)[O-] ZINC000579961942 838084098 /nfs/dbraw/zinc/08/40/98/838084098.db2.gz RMBNRDMWXNONPW-VXGBXAGGSA-N -1 3 385.386 3.979 20 0 GHADHM CCC[C@@H](CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001167311266 838126038 /nfs/dbraw/zinc/12/60/38/838126038.db2.gz XXMFLUJGGIIYQF-DJIMGWMZSA-N -1 3 384.442 3.876 20 0 GHADHM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)NN=c1ccc(Cl)n[n-]1 ZINC000187441726 838161474 /nfs/dbraw/zinc/16/14/74/838161474.db2.gz IHVADZLSONGKFN-UHFFFAOYSA-N -1 3 385.777 3.507 20 0 GHADHM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000728725403 838176445 /nfs/dbraw/zinc/17/64/45/838176445.db2.gz QNJPKGHHSVSNEO-UHFFFAOYSA-N -1 3 376.368 3.554 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151045405 838180458 /nfs/dbraw/zinc/18/04/58/838180458.db2.gz RTPSKEQKNIZHGB-QWRGUYRKSA-N -1 3 382.844 3.593 20 0 GHADHM CC(C)c1ncc(OCc2ccccc2)c(C(=O)[N-]c2ncn(C(C)(C)C)n2)n1 ZINC001266533022 838294364 /nfs/dbraw/zinc/29/43/64/838294364.db2.gz XFIMKFMSHUYMJT-UHFFFAOYSA-N -1 3 394.479 3.778 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2cc(C)c(OC(F)F)c(C)c2)[n-]c1=O ZINC000188020899 838481104 /nfs/dbraw/zinc/48/11/04/838481104.db2.gz VJXXTSVCBKYXAI-XYOKQWHBSA-N -1 3 378.375 3.725 20 0 GHADHM [O-]C(=Cc1nc(-c2cncc(Br)c2)no1)c1ccccc1Cl ZINC001211646801 838525031 /nfs/dbraw/zinc/52/50/31/838525031.db2.gz AKGCYSXHDCYVRB-UHFFFAOYSA-N -1 3 378.613 3.973 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000179411742 838542772 /nfs/dbraw/zinc/54/27/72/838542772.db2.gz CQHKUQSIFZOWPY-UHFFFAOYSA-N -1 3 393.443 3.992 20 0 GHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000613594693 838544754 /nfs/dbraw/zinc/54/47/54/838544754.db2.gz HGOPJYHKPJRLIU-UONOGXRCSA-N -1 3 393.484 3.605 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)sc1Cl ZINC000188154204 838558210 /nfs/dbraw/zinc/55/82/10/838558210.db2.gz ZNBNNTFCXQEDNV-TZMCWYRMSA-N -1 3 393.864 3.797 20 0 GHADHM C[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097661 838710874 /nfs/dbraw/zinc/71/08/74/838710874.db2.gz BLZCVXFWJWILQQ-LEWSCRJBSA-N -1 3 397.306 3.799 20 0 GHADHM C[C@@H](NCc1c(F)ccc(Br)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656100123 838713373 /nfs/dbraw/zinc/71/33/73/838713373.db2.gz FLHGTLBSLUMOAI-DVVUODLYSA-N -1 3 376.241 3.952 20 0 GHADHM COC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(C)o1 ZINC000472683182 839120175 /nfs/dbraw/zinc/12/01/75/839120175.db2.gz GBLODURNPUGPMY-KRWDZBQOSA-N -1 3 382.420 3.568 20 0 GHADHM O=C1N[C@@H](CC2CCCCC2)C(=O)N1Cc1ccc([O-])c(Br)c1 ZINC000431868432 839122111 /nfs/dbraw/zinc/12/21/11/839122111.db2.gz BNNWLCWUFPBBSV-AWEZNQCLSA-N -1 3 381.270 3.546 20 0 GHADHM Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(O)cc2[O-])c1 ZINC000182830797 839163997 /nfs/dbraw/zinc/16/39/97/839163997.db2.gz QTEPUCCWNRVSKT-JOCHJYFZSA-N -1 3 377.440 3.782 20 0 GHADHM CCOC(=O)c1csc(Cc2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)n1 ZINC000416415452 839172309 /nfs/dbraw/zinc/17/23/09/839172309.db2.gz UDRVVXMDHNDZHJ-UHFFFAOYSA-N -1 3 389.380 3.640 20 0 GHADHM CC(C)Cc1ccc([C@H](CN=c2[n-]nc(C3CCOCC3)s2)N(C)C)cc1 ZINC000549194951 839259698 /nfs/dbraw/zinc/25/96/98/839259698.db2.gz UMANHXKOKSAWSG-IBGZPJMESA-N -1 3 388.581 3.767 20 0 GHADHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000580323544 839274218 /nfs/dbraw/zinc/27/42/18/839274218.db2.gz LDEPUMCGHAZPEY-ZDUSSCGKSA-N -1 3 389.304 3.696 20 0 GHADHM COc1cccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1F ZINC000656184417 839333003 /nfs/dbraw/zinc/33/30/03/839333003.db2.gz SSEDRFXCALGBBQ-UHFFFAOYSA-N -1 3 378.469 3.539 20 0 GHADHM CC1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC(F)(F)CC1 ZINC000644197984 839441600 /nfs/dbraw/zinc/44/16/00/839441600.db2.gz RDGBADCGQZDHJA-UHFFFAOYSA-N -1 3 391.333 3.971 20 0 GHADHM COCC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000416584543 839458760 /nfs/dbraw/zinc/45/87/60/839458760.db2.gz DMKSXMQHWHOUIY-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)[C@H]1CC1(C)C ZINC000416654279 839510173 /nfs/dbraw/zinc/51/01/73/839510173.db2.gz UUVAPWXTEAHOKK-ZWNOBZJWSA-N -1 3 376.881 3.541 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C)cc1C ZINC000471574841 839515721 /nfs/dbraw/zinc/51/57/21/839515721.db2.gz PRSULDNRNVOZLW-UHFFFAOYSA-N -1 3 399.415 3.535 20 0 GHADHM O=S(=O)([N-]CCc1ccc(F)cc1)c1c(Cl)cccc1Br ZINC000314169792 839609918 /nfs/dbraw/zinc/60/99/18/839609918.db2.gz HYMMWQQICHVBDO-UHFFFAOYSA-N -1 3 392.677 3.763 20 0 GHADHM CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)[N-]c1nc(C2CC2)no1 ZINC000891289996 839688382 /nfs/dbraw/zinc/68/83/82/839688382.db2.gz JGXVWYILRMASRY-UHFFFAOYSA-N -1 3 385.424 3.826 20 0 GHADHM Cc1cc(C(C)(C)C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)ccc1Br ZINC000580647379 839945881 /nfs/dbraw/zinc/94/58/81/839945881.db2.gz UIKFGMYBRARVJB-UHFFFAOYSA-N -1 3 399.292 3.881 20 0 GHADHM CCO[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000510340847 840094051 /nfs/dbraw/zinc/09/40/51/840094051.db2.gz ZSBZCDMZMYFPQX-CYBMUJFWSA-N -1 3 398.750 3.832 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000047031682 840130795 /nfs/dbraw/zinc/13/07/95/840130795.db2.gz OQJHWCKJBALQJH-NSHDSACASA-N -1 3 379.334 3.636 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759851523 840201092 /nfs/dbraw/zinc/20/10/92/840201092.db2.gz KXHBVPMTELSTIQ-IBGZPJMESA-N -1 3 377.843 3.813 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(NC(=O)NC(C)C)c3)[nH][n-]2)c1 ZINC000512555277 844515383 /nfs/dbraw/zinc/51/53/83/844515383.db2.gz NZYVEEAAEFJAIU-UHFFFAOYSA-N -1 3 391.475 3.898 20 0 GHADHM CN(C(=O)Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1)c1ccccc1 ZINC000417005090 840360841 /nfs/dbraw/zinc/36/08/41/840360841.db2.gz CWNXTXFWKWCJFG-UHFFFAOYSA-N -1 3 388.471 3.877 20 0 GHADHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500418568 840453334 /nfs/dbraw/zinc/45/33/34/840453334.db2.gz CFTSQHIUMKJLFD-BXUZGUMPSA-N -1 3 386.926 3.699 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)CCC1 ZINC000634786117 844546409 /nfs/dbraw/zinc/54/64/09/844546409.db2.gz PXERDODDZHKZBU-UHFFFAOYSA-N -1 3 389.477 3.641 20 0 GHADHM CC(C)(CO)[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC000626226946 840608996 /nfs/dbraw/zinc/60/89/96/840608996.db2.gz DNESBAOXUZODAP-KRWDZBQOSA-N -1 3 392.293 3.687 20 0 GHADHM Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048244661 840677701 /nfs/dbraw/zinc/67/77/01/840677701.db2.gz OVEMEMMWLRPEGQ-UHFFFAOYSA-N -1 3 396.896 3.816 20 0 GHADHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1ccc(Br)s1 ZINC000047280448 840735892 /nfs/dbraw/zinc/73/58/92/840735892.db2.gz DLMPHCFSJBSFQJ-UHFFFAOYSA-N -1 3 399.291 3.644 20 0 GHADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000026528718 840991981 /nfs/dbraw/zinc/99/19/81/840991981.db2.gz SDCCHAYZCYXSAK-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM Cc1ccccc1-n1cc(CN[C@@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)nn1 ZINC000417579010 841021791 /nfs/dbraw/zinc/02/17/91/841021791.db2.gz OTTNLPHRMONZSF-DSQUVOCVSA-N -1 3 394.519 3.725 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000581318923 841064454 /nfs/dbraw/zinc/06/44/54/841064454.db2.gz LUFDKDSDONUJDU-OAHLLOKOSA-N -1 3 383.839 3.567 20 0 GHADHM O=C([O-])C[C@H](CNCc1cc(C(F)(F)F)ccc1Br)C(F)F ZINC000417633230 841071867 /nfs/dbraw/zinc/07/18/67/841071867.db2.gz ZKXBPVSLXUZOAH-MRVPVSSYSA-N -1 3 390.146 3.914 20 0 GHADHM O=C([O-])CC[C@@H]1CCCC[C@@H]1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417633444 841072038 /nfs/dbraw/zinc/07/20/38/841072038.db2.gz UILVIEYHHPUCQS-SJCJKPOMSA-N -1 3 380.851 3.573 20 0 GHADHM COc1cc(Br)ccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417626355 841077558 /nfs/dbraw/zinc/07/75/58/841077558.db2.gz MWYWKIWKCWJRIL-HZPDHXFCSA-N -1 3 376.250 3.861 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000651621567 841156731 /nfs/dbraw/zinc/15/67/31/841156731.db2.gz VMXXCYFDZOHAPC-QWRGUYRKSA-N -1 3 396.372 3.691 20 0 GHADHM CCN(C(=O)CNC(C)(C)c1nc(C)cc(=O)[n-]1)c1cccc2ccccc21 ZINC000660746972 841158921 /nfs/dbraw/zinc/15/89/21/841158921.db2.gz OCTRRGNJLSDPCZ-UHFFFAOYSA-N -1 3 378.476 3.522 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000069128772 841195699 /nfs/dbraw/zinc/19/56/99/841195699.db2.gz XDHIRULOUPUPJS-FEAKQIBJSA-N -1 3 381.885 3.888 20 0 GHADHM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)C1=Cc2ccccc2OC1 ZINC000190242717 841315069 /nfs/dbraw/zinc/31/50/69/841315069.db2.gz WWIZSFTVPVTOEQ-UHFFFAOYSA-N -1 3 394.452 3.836 20 0 GHADHM Cc1cc(C(=O)Nc2cc(I)ccc2[O-])c(F)cc1F ZINC000610505137 841332076 /nfs/dbraw/zinc/33/20/76/841332076.db2.gz SVWWOCAESNLHKA-UHFFFAOYSA-N -1 3 389.139 3.836 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1F ZINC000474860012 861204354 /nfs/dbraw/zinc/20/43/54/861204354.db2.gz MCCKAYUFYRHXEW-UHFFFAOYSA-N -1 3 381.407 3.638 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4c(C)nn(C)c4s3)c2)n1 ZINC000049302210 841503385 /nfs/dbraw/zinc/50/33/85/841503385.db2.gz OLIGBOHIASPREF-UHFFFAOYSA-N -1 3 393.472 3.508 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccccc3OC)c2)n1 ZINC000049303101 841507264 /nfs/dbraw/zinc/50/72/64/841507264.db2.gz QGCGKPFWTZFICY-UHFFFAOYSA-N -1 3 377.444 3.579 20 0 GHADHM C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000500148052 841514692 /nfs/dbraw/zinc/51/46/92/841514692.db2.gz ORVJUBSFXKGXAE-JDNHERCYSA-N -1 3 395.228 3.615 20 0 GHADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(NC(C)=O)c(Cl)c1)C1CCCCC1 ZINC000656615390 841568422 /nfs/dbraw/zinc/56/84/22/841568422.db2.gz HLKPZSDXDQRKNI-QGZVFWFLSA-N -1 3 388.917 3.635 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1)C1CCCC1 ZINC000656617144 841574938 /nfs/dbraw/zinc/57/49/38/841574938.db2.gz CCUUHTFCKDPNIP-HNNXBMFYSA-N -1 3 399.563 3.636 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000143968848 841575257 /nfs/dbraw/zinc/57/52/57/841575257.db2.gz PUKDTYFBIHSDPY-LSDHHAIUSA-N -1 3 395.525 3.501 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1Br)C1CCCC1 ZINC000656622867 841597491 /nfs/dbraw/zinc/59/74/91/841597491.db2.gz AATUXOCXKCQOHB-AWEZNQCLSA-N -1 3 380.279 3.535 20 0 GHADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cccc2c1ccn2C(F)F ZINC000656633753 841622995 /nfs/dbraw/zinc/62/29/95/841622995.db2.gz MSKHOSUZOYRMAB-UHFFFAOYSA-N -1 3 392.427 3.956 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000549547464 841707446 /nfs/dbraw/zinc/70/74/46/841707446.db2.gz DMVDSWBZGWZEHT-UHFFFAOYSA-N -1 3 389.765 3.836 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000549547464 841707455 /nfs/dbraw/zinc/70/74/55/841707455.db2.gz DMVDSWBZGWZEHT-UHFFFAOYSA-N -1 3 389.765 3.836 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000509726056 841864183 /nfs/dbraw/zinc/86/41/83/841864183.db2.gz HHCHJBFLAAQICP-SMDDNHRTSA-N -1 3 377.334 3.818 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)cc1 ZINC000549551137 841931810 /nfs/dbraw/zinc/93/18/10/841931810.db2.gz QLDAGNKDLHRBCF-UHFFFAOYSA-N -1 3 387.461 3.593 20 0 GHADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000157904976 842069294 /nfs/dbraw/zinc/06/92/94/842069294.db2.gz QVIORDYCIDJNKK-UHFFFAOYSA-N -1 3 376.478 3.932 20 0 GHADHM CSC[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184226305 842168734 /nfs/dbraw/zinc/16/87/34/842168734.db2.gz VHJACOFIENIIOC-QUCCMNQESA-N -1 3 398.528 3.607 20 0 GHADHM Cc1nc(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cs1 ZINC000500437027 842201346 /nfs/dbraw/zinc/20/13/46/842201346.db2.gz BILYOJPKIXWJTQ-UHFFFAOYSA-N -1 3 399.950 3.749 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@](CO)(C(F)(F)F)C1 ZINC000899611081 861285676 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O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000471775270 842471979 /nfs/dbraw/zinc/47/19/79/842471979.db2.gz WSQBHSZWRBXABG-UHFFFAOYSA-N -1 3 375.354 3.847 20 0 GHADHM O=C([O-])[C@H](C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1CCCC1 ZINC000663108438 842487598 /nfs/dbraw/zinc/48/75/98/842487598.db2.gz SWKYXKIREZNQBB-NRFANRHFSA-N -1 3 398.547 3.925 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1 ZINC000135332197 842559558 /nfs/dbraw/zinc/55/95/58/842559558.db2.gz WHBPRUKCCZRRAA-UHFFFAOYSA-N -1 3 375.490 3.855 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000652483008 842608233 /nfs/dbraw/zinc/60/82/33/842608233.db2.gz ZCPUGRCKPABEMH-KRWDZBQOSA-N -1 3 379.254 3.791 20 0 GHADHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(Br)c1OC(F)F ZINC000652490710 842628722 /nfs/dbraw/zinc/62/87/22/842628722.db2.gz VDPOTVGINIABMF-CDMKHQONSA-N -1 3 390.224 3.736 20 0 GHADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(Cl)c(Br)c1 ZINC000510503209 842816522 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20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC000510622976 843070386 /nfs/dbraw/zinc/07/03/86/843070386.db2.gz UHXNXVKLPVZCDY-LLVKDONJSA-N -1 3 384.361 3.549 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 ZINC000471871834 843083028 /nfs/dbraw/zinc/08/30/28/843083028.db2.gz RFMKYJNBPNLHIQ-CYBMUJFWSA-N -1 3 389.452 3.786 20 0 GHADHM Cc1ccc(SC[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000186695484 843153932 /nfs/dbraw/zinc/15/39/32/843153932.db2.gz AGXFAAATNOIRML-VQIMIIECSA-N -1 3 398.528 3.602 20 0 GHADHM CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000157266347 861388551 /nfs/dbraw/zinc/38/85/51/861388551.db2.gz JRCAIGLGUWINDS-UHFFFAOYSA-N -1 3 396.487 3.904 20 0 GHADHM O=C(NN=C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc([O-])cc1 ZINC000064305960 843243161 /nfs/dbraw/zinc/24/31/61/843243161.db2.gz UIYMMMRXPVKDPZ-UHFFFAOYSA-N -1 3 375.831 3.567 20 0 GHADHM O=C([N-]CC1(c2cccc(Br)c2)CCOCC1)C(F)(F)C(F)F ZINC000176075624 843247126 /nfs/dbraw/zinc/24/71/26/843247126.db2.gz NCKVWSQBVQDAAQ-UHFFFAOYSA-N -1 3 398.194 3.514 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000175922559 843371129 /nfs/dbraw/zinc/37/11/29/843371129.db2.gz DEPMGLJHZLNCAA-CVEARBPZSA-N -1 3 388.464 3.920 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000667886257 861416605 /nfs/dbraw/zinc/41/66/05/861416605.db2.gz LONHKUCVCJFAOD-MRXNPFEDSA-N -1 3 384.461 3.686 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1F ZINC000302953687 861423857 /nfs/dbraw/zinc/42/38/57/861423857.db2.gz FAMIUVOSSFVPMW-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM Cc1csc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000500445982 843615303 /nfs/dbraw/zinc/61/53/03/843615303.db2.gz JIIPAFRVLGNNKW-UHFFFAOYSA-N -1 3 385.923 3.707 20 0 GHADHM O=S(=O)([N-]Cc1cccc(F)c1)c1cc(Br)ccc1Cl ZINC000303157504 843712398 /nfs/dbraw/zinc/71/23/98/843712398.db2.gz HABXAWVYGSHGTE-UHFFFAOYSA-N -1 3 378.650 3.720 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)cc(Cl)c2O1 ZINC000431159171 843737666 /nfs/dbraw/zinc/73/76/66/843737666.db2.gz GJYFLUDSWRODQF-ZETCQYMHSA-N -1 3 377.771 3.882 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)Oc2ccccc2F)[nH][n-]1 ZINC000512845688 843876896 /nfs/dbraw/zinc/87/68/96/843876896.db2.gz MBNNGXUDVIZPCA-LLVKDONJSA-N -1 3 389.814 3.706 20 0 GHADHM CCC(=O)Nc1cccc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1 ZINC000512846022 843880269 /nfs/dbraw/zinc/88/02/69/843880269.db2.gz NLXQWUUYNRXMAR-UHFFFAOYSA-N -1 3 398.850 3.761 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c([O-])c1C ZINC000051451185 843897639 /nfs/dbraw/zinc/89/76/39/843897639.db2.gz XHXMHMQRZOHJKX-KRWDZBQOSA-N -1 3 383.448 3.562 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1C ZINC000500788089 844010128 /nfs/dbraw/zinc/01/01/28/844010128.db2.gz PZOSECQLUKZHNG-UHFFFAOYSA-N -1 3 382.913 3.828 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000481479030 861487570 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CCOC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1coc(COC)n1 ZINC000548520492 845294476 /nfs/dbraw/zinc/29/44/76/845294476.db2.gz RKJKDZFIXKUSPA-UHFFFAOYSA-N -1 3 386.429 3.979 20 0 GHADHM O=C1c2ccccc2C(=O)N1CCC1=CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000513368365 845319608 /nfs/dbraw/zinc/31/96/08/845319608.db2.gz VMRMDVPCXOLZLE-UHFFFAOYSA-N -1 3 396.874 3.864 20 0 GHADHM CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179459501 861589966 /nfs/dbraw/zinc/58/99/66/861589966.db2.gz LLSYTEMZSLBULG-UHFFFAOYSA-N -1 3 378.881 3.915 20 0 GHADHM C[C@H](Oc1ccccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccccc1 ZINC000433966236 845655873 /nfs/dbraw/zinc/65/58/73/845655873.db2.gz HAAHKIWDJATRGZ-AWEZNQCLSA-N -1 3 378.432 3.641 20 0 GHADHM CC(C)(C)n1cc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)cn1 ZINC000657283232 845661049 /nfs/dbraw/zinc/66/10/49/845661049.db2.gz BZVGMIJMKZNFPC-UHFFFAOYSA-N -1 3 394.504 3.824 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cnc(-c2ccccc2)nc1 ZINC000622891244 845796353 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CCCCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)n[n-]c1=O ZINC000502851682 846544200 /nfs/dbraw/zinc/54/42/00/846544200.db2.gz RIZOBZGHECONMP-JTQLQIEISA-N -1 3 378.527 3.841 20 0 GHADHM CC(C)S(=O)(=O)c1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419460058 846580015 /nfs/dbraw/zinc/58/00/15/846580015.db2.gz HNIPJAVAJAVJBM-UHFFFAOYSA-N -1 3 378.519 3.675 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419593540 846680480 /nfs/dbraw/zinc/68/04/80/846680480.db2.gz XXXFTWZVLUTGIR-LBPRGKRZSA-N -1 3 375.469 3.652 20 0 GHADHM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](c2cccs2)N2CCCC2)s1 ZINC000503160150 846854727 /nfs/dbraw/zinc/85/47/27/846854727.db2.gz MNXVFRLSKAAUJP-AWEZNQCLSA-N -1 3 393.582 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@](O)(CC)CCC(F)(F)F)nc2)n1 ZINC000896808192 861731349 /nfs/dbraw/zinc/73/13/49/861731349.db2.gz ULJLUNLFZXQECA-QGZVFWFLSA-N -1 3 384.402 3.702 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C)n1Cc1ccccn1 ZINC000604082395 861735016 /nfs/dbraw/zinc/73/50/16/861735016.db2.gz BEKDQUJAXRTFLP-UHFFFAOYSA-N -1 3 385.471 3.921 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c1Cl ZINC000501444229 846931915 /nfs/dbraw/zinc/93/19/15/846931915.db2.gz CPKUTHANYLIFSS-UHFFFAOYSA-N -1 3 376.309 3.633 20 0 GHADHM O=c1cc(C(F)(F)F)nc(CNc2ccccc2OC[C@H]2CCCCO2)[n-]1 ZINC000179762059 861758713 /nfs/dbraw/zinc/75/87/13/861758713.db2.gz QHBLAVMDNYSRDY-GFCCVEGCSA-N -1 3 383.370 3.761 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)N2CCCC2)o1 ZINC000684872507 847246594 /nfs/dbraw/zinc/24/65/94/847246594.db2.gz MJCOVLHSDCGROA-HNNXBMFYSA-N -1 3 382.382 3.879 20 0 GHADHM COC(=O)CCCc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000277603696 847256757 /nfs/dbraw/zinc/25/67/57/847256757.db2.gz HVMYDVNMHLJUEO-UHFFFAOYSA-N -1 3 392.239 3.732 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)cc1 ZINC000582449902 847272293 /nfs/dbraw/zinc/27/22/93/847272293.db2.gz VURPYIZZYBYKBF-OAHLLOKOSA-N -1 3 390.530 3.878 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000097010277 847275574 /nfs/dbraw/zinc/27/55/74/847275574.db2.gz QOIAXXFVKRMFGJ-UHFFFAOYSA-N -1 3 382.460 3.834 20 0 GHADHM COc1ccc([O-])c(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)c1 ZINC000273681128 847406033 /nfs/dbraw/zinc/40/60/33/847406033.db2.gz CTMAKCUHIJTSJQ-UHFFFAOYSA-N -1 3 396.428 3.629 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCN3CCCc4ccccc43)nc2)n1 ZINC000731662518 861792894 /nfs/dbraw/zinc/79/28/94/861792894.db2.gz PGTCVQGBOANYTR-UHFFFAOYSA-N -1 3 375.476 3.671 20 0 GHADHM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(Cl)cc1Br ZINC000684909804 847552571 /nfs/dbraw/zinc/55/25/71/847552571.db2.gz LOJMHFGNUTXHCK-UHFFFAOYSA-N -1 3 380.613 3.723 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)[n-]1 ZINC000431447917 847577704 /nfs/dbraw/zinc/57/77/04/847577704.db2.gz WLQWLAUOVHYVHF-UHFFFAOYSA-N -1 3 377.400 3.614 20 0 GHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000028485959 847586731 /nfs/dbraw/zinc/58/67/31/847586731.db2.gz QWTDXHGCPSYSTP-NSHDSACASA-N -1 3 380.231 3.814 20 0 GHADHM CCOc1ccc(CN(C)C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000028485982 847588027 /nfs/dbraw/zinc/58/80/27/847588027.db2.gz RPBCCVUTBGAGGG-UHFFFAOYSA-N -1 3 385.247 3.536 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000502202672 847604714 /nfs/dbraw/zinc/60/47/14/847604714.db2.gz AFTHEYRDGHCLKL-VIFPVBQESA-N -1 3 393.408 3.593 20 0 GHADHM CSCc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1F ZINC000513738606 847629631 /nfs/dbraw/zinc/62/96/31/847629631.db2.gz WNQPLPVQRJUYSF-UHFFFAOYSA-N -1 3 394.269 3.773 20 0 GHADHM CC(C)Sc1c(Cl)cccc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503418136 847682491 /nfs/dbraw/zinc/68/24/91/847682491.db2.gz FJMRLYQZXVQLDK-UHFFFAOYSA-N -1 3 399.925 3.859 20 0 GHADHM CCCc1ccccc1NC(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000421077180 847695071 /nfs/dbraw/zinc/69/50/71/847695071.db2.gz BVVZYRUBCZLOEC-INIZCTEOSA-N -1 3 388.439 3.637 20 0 GHADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000158587218 847695499 /nfs/dbraw/zinc/69/54/99/847695499.db2.gz DNHLWXLTYRTUSK-OAHLLOKOSA-N -1 3 391.874 3.819 20 0 GHADHM CC[C@@H](C)[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000503425795 847700300 /nfs/dbraw/zinc/70/03/00/847700300.db2.gz LZHKSNQXINEJNL-PXAZEXFGSA-N -1 3 395.912 3.624 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(-c4cccc(Cl)c4)no3)nc21 ZINC000503585097 847825309 /nfs/dbraw/zinc/82/53/09/847825309.db2.gz NMBZACGVXIINON-UHFFFAOYSA-N -1 3 396.790 3.910 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 ZINC000097207350 847865248 /nfs/dbraw/zinc/86/52/48/847865248.db2.gz YVWMBECEDGKLJI-UHFFFAOYSA-N -1 3 376.840 3.692 20 0 GHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000892282877 848073712 /nfs/dbraw/zinc/07/37/12/848073712.db2.gz AWFUSWGAINVPNO-UHFFFAOYSA-N -1 3 387.399 3.819 20 0 GHADHM O=C([N-]OCc1cccnc1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186879805 861915028 /nfs/dbraw/zinc/91/50/28/861915028.db2.gz FADIKXSYJLZIBU-UHFFFAOYSA-N -1 3 379.804 3.646 20 0 GHADHM CCC[C@@H](NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000582845026 848550376 /nfs/dbraw/zinc/55/03/76/848550376.db2.gz AOGNMBQYNUUVJH-KVJIRVJXSA-N -1 3 394.515 3.833 20 0 GHADHM CSc1ccc([O-])c(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000611733082 848641526 /nfs/dbraw/zinc/64/15/26/848641526.db2.gz NSFIMUGGKRIYCQ-GFCCVEGCSA-N -1 3 379.482 3.503 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000582886728 848645423 /nfs/dbraw/zinc/64/54/23/848645423.db2.gz DYGCNSGBOWNSMC-UHFFFAOYSA-N -1 3 391.464 3.819 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)c2)cc1 ZINC000582915401 848688301 /nfs/dbraw/zinc/68/83/01/848688301.db2.gz NOQDWGYHJOELMG-UHFFFAOYSA-N -1 3 381.457 3.727 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000582946251 848737438 /nfs/dbraw/zinc/73/74/38/848737438.db2.gz OWWMPBJKOHMQMJ-NSHDSACASA-N -1 3 397.846 3.986 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ncccc1C(F)(F)F ZINC000180089685 861945997 /nfs/dbraw/zinc/94/59/97/861945997.db2.gz PIPRPLHGJVRPJA-UHFFFAOYSA-N -1 3 382.342 3.934 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)N1c2ccccc2Sc2ccccc21 ZINC000731915708 861956641 /nfs/dbraw/zinc/95/66/41/861956641.db2.gz KNVDOSSZAYQZJD-UHFFFAOYSA-N -1 3 378.409 3.774 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1OC ZINC000162284549 848886548 /nfs/dbraw/zinc/88/65/48/848886548.db2.gz HMLMGHFQZSFDDR-UONOGXRCSA-N -1 3 394.518 3.569 20 0 GHADHM COc1cccc([C@H](C)CCCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000583375067 849751590 /nfs/dbraw/zinc/75/15/90/849751590.db2.gz NQUMFZLJRZOUPG-OAHLLOKOSA-N -1 3 390.505 3.979 20 0 GHADHM Cc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029755302 862059419 /nfs/dbraw/zinc/05/94/19/862059419.db2.gz DTZIQXRKZFWOKJ-UHFFFAOYSA-N -1 3 378.469 3.772 20 0 GHADHM COc1cc(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-] ZINC000015256183 850008749 /nfs/dbraw/zinc/00/87/49/850008749.db2.gz UFFRQLDJPGEVBY-NVNXTCNLSA-N -1 3 388.876 3.933 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000664470554 850106347 /nfs/dbraw/zinc/10/63/47/850106347.db2.gz DASBEVXWYTZPQG-PBHICJAKSA-N -1 3 397.313 3.645 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000664470591 850107598 /nfs/dbraw/zinc/10/75/98/850107598.db2.gz DTWFGLGYEKFNNX-QGZVFWFLSA-N -1 3 397.313 3.645 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000430122927 850167995 /nfs/dbraw/zinc/16/79/95/850167995.db2.gz IUULOMFUMNYNQD-UHFFFAOYSA-N -1 3 384.155 3.790 20 0 GHADHM CC(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cc1 ZINC000439649273 850227913 /nfs/dbraw/zinc/22/79/13/850227913.db2.gz CJUWPPKJNNVNSJ-INIZCTEOSA-N -1 3 390.361 3.716 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)Cc1cccs1 ZINC000435225935 850243329 /nfs/dbraw/zinc/24/33/29/850243329.db2.gz LYDGVDQGXGIHFH-JTQLQIEISA-N -1 3 392.315 3.807 20 0 GHADHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000604335638 862108827 /nfs/dbraw/zinc/10/88/27/862108827.db2.gz OSWOOJNLVSCMGR-UHFFFAOYSA-N -1 3 397.272 3.752 20 0 GHADHM COc1nnc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)[n-]1 ZINC000486958108 850295183 /nfs/dbraw/zinc/29/51/83/850295183.db2.gz QKGAOMJTMPOBFJ-UHFFFAOYSA-N -1 3 395.847 3.646 20 0 GHADHM COc1nc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)n[n-]1 ZINC000486958108 850295197 /nfs/dbraw/zinc/29/51/97/850295197.db2.gz QKGAOMJTMPOBFJ-UHFFFAOYSA-N -1 3 395.847 3.646 20 0 GHADHM COc1n[n-]c(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)n1 ZINC000486958108 850295204 /nfs/dbraw/zinc/29/52/04/850295204.db2.gz QKGAOMJTMPOBFJ-UHFFFAOYSA-N -1 3 395.847 3.646 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908739549 850313617 /nfs/dbraw/zinc/31/36/17/850313617.db2.gz FPQDPTUJNMSSMC-DZGCQCFKSA-N -1 3 398.425 3.554 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1)[C@H]1C[C@@H]1C ZINC000514809552 850317654 /nfs/dbraw/zinc/31/76/54/850317654.db2.gz BNLGCBCOLTZLTF-RBZFPXEDSA-N -1 3 375.428 3.542 20 0 GHADHM CC[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC1 ZINC000908748303 850319616 /nfs/dbraw/zinc/31/96/16/850319616.db2.gz CZEOMKPLKKEIHZ-SJORKVTESA-N -1 3 393.553 3.558 20 0 GHADHM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000908748865 850320935 /nfs/dbraw/zinc/32/09/35/850320935.db2.gz IZBTUWVISUTXOT-IRXDYDNUSA-N -1 3 395.569 3.662 20 0 GHADHM CC1CCN([C@@H](CNC(=O)N(CC(=O)[O-])C2CCCC2)c2cccs2)CC1 ZINC000908749077 850321088 /nfs/dbraw/zinc/32/10/88/850321088.db2.gz MWKUVCPWKNFGQV-KRWDZBQOSA-N -1 3 393.553 3.560 20 0 GHADHM COc1cccc(-c2nc(CO[N-]C(=O)CCOc3ccccc3)cs2)c1 ZINC000732194162 862118709 /nfs/dbraw/zinc/11/87/09/862118709.db2.gz BDXBFOJIQMLLEN-UHFFFAOYSA-N -1 3 384.457 3.836 20 0 GHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC)n1 ZINC000435340431 850394507 /nfs/dbraw/zinc/39/45/07/850394507.db2.gz HURICYQNJAIEKQ-BOPFTXTBSA-N -1 3 384.476 3.842 20 0 GHADHM C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H]1C(=O)[O-] ZINC000424416601 850448179 /nfs/dbraw/zinc/44/81/79/850448179.db2.gz KLLSWDTXSJICEI-RNCFNFMXSA-N -1 3 378.213 3.736 20 0 GHADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000518996611 850459565 /nfs/dbraw/zinc/45/95/65/850459565.db2.gz GYANACHMXOVAEN-UHFFFAOYSA-N -1 3 376.478 3.851 20 0 GHADHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000487118521 850472694 /nfs/dbraw/zinc/47/26/94/850472694.db2.gz BCBNDYOYQFDUIW-XHDPSFHLSA-N -1 3 383.407 3.574 20 0 GHADHM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000909000107 850526081 /nfs/dbraw/zinc/52/60/81/850526081.db2.gz DYJRUSIQQGRBOD-PGRDOPGGSA-N -1 3 394.515 3.614 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(OCc2ccccc2)cc1 ZINC000519061782 850557826 /nfs/dbraw/zinc/55/78/26/850557826.db2.gz MCTYHVGAEATYMD-UHFFFAOYSA-N -1 3 397.452 3.838 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000435585477 850674291 /nfs/dbraw/zinc/67/42/91/850674291.db2.gz SFMDTDWEVVJRMM-AULYBMBSSA-N -1 3 376.425 3.695 20 0 GHADHM Cc1ccc(OCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c(C)c1 ZINC000519162242 850688767 /nfs/dbraw/zinc/68/87/67/850688767.db2.gz UWDOCKLNAVFODX-UHFFFAOYSA-N -1 3 392.459 3.975 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1NC(N)=O ZINC000487330665 850699807 /nfs/dbraw/zinc/69/98/07/850699807.db2.gz CVWVFGZCGYHVTQ-UHFFFAOYSA-N -1 3 391.493 3.575 20 0 GHADHM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000569851003 850764839 /nfs/dbraw/zinc/76/48/39/850764839.db2.gz MZHNIIKNGHNKLZ-GJZGRUSLSA-N -1 3 386.455 3.861 20 0 GHADHM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515205486 850784888 /nfs/dbraw/zinc/78/48/88/850784888.db2.gz CLDBQUMOAIIZKJ-SECBINFHSA-N -1 3 397.656 3.565 20 0 GHADHM CC(C)N1CCN(c2ccc(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)cc2)CC1 ZINC000909834668 850815355 /nfs/dbraw/zinc/81/53/55/850815355.db2.gz MXRKXYFXXVKORY-KRWDZBQOSA-N -1 3 395.503 3.657 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCCN2C2CCCC2)[nH][n-]1 ZINC000440135740 850821862 /nfs/dbraw/zinc/82/18/62/850821862.db2.gz VIHFUWCBZAVFHH-QGZVFWFLSA-N -1 3 388.899 3.506 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000435925195 850995566 /nfs/dbraw/zinc/99/55/66/850995566.db2.gz CYORHNLWLVEKHF-GFCCVEGCSA-N -1 3 379.395 3.644 20 0 GHADHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000910243268 851083891 /nfs/dbraw/zinc/08/38/91/851083891.db2.gz XSVJPXUBOSXRIA-RDJZCZTQSA-N -1 3 398.425 3.556 20 0 GHADHM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000910253895 851091478 /nfs/dbraw/zinc/09/14/78/851091478.db2.gz UENRXZBRBPBIEE-INIZCTEOSA-N -1 3 395.297 3.801 20 0 GHADHM O=C([O-])c1ccnc(N2CCC(NCc3ccc(Oc4ccccc4)o3)CC2)c1 ZINC000426639573 851097060 /nfs/dbraw/zinc/09/70/60/851097060.db2.gz NVZZHSXXFAEDDA-UHFFFAOYSA-N -1 3 393.443 3.924 20 0 GHADHM O=C([O-])[C@@H](CNCc1cc(C(F)(F)F)ccc1F)Oc1ccc(F)cc1 ZINC000426640635 851098643 /nfs/dbraw/zinc/09/86/43/851098643.db2.gz SXDWEUNGPUXCED-OAHLLOKOSA-N -1 3 375.293 3.605 20 0 GHADHM O=C([O-])[C@H](CNCc1cc(C(F)(F)F)ccc1F)Oc1ccc(F)cc1 ZINC000426640634 851098792 /nfs/dbraw/zinc/09/87/92/851098792.db2.gz SXDWEUNGPUXCED-HNNXBMFYSA-N -1 3 375.293 3.605 20 0 GHADHM CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000910298010 851128100 /nfs/dbraw/zinc/12/81/00/851128100.db2.gz BSBJZQXQLBFUIR-HNNXBMFYSA-N -1 3 393.409 3.899 20 0 GHADHM Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC000910458406 851211972 /nfs/dbraw/zinc/21/19/72/851211972.db2.gz SBNOHDJAGLPQGP-CQSZACIVSA-N -1 3 396.516 3.652 20 0 GHADHM O=C([O-])c1cc(Oc2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cc2)ccn1 ZINC000910617750 851294719 /nfs/dbraw/zinc/29/47/19/851294719.db2.gz AJWWWLRBIQKGQR-HXUWFJFHSA-N -1 3 395.459 3.918 20 0 GHADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCc1ncccc1[O-] ZINC000473639703 851337622 /nfs/dbraw/zinc/33/76/22/851337622.db2.gz QJNFWIQDUCJLON-UHFFFAOYSA-N -1 3 382.847 3.879 20 0 GHADHM O=C(NCc1ncccc1[O-])c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000473642422 851348013 /nfs/dbraw/zinc/34/80/13/851348013.db2.gz YJAPIDDWQNRDSY-UHFFFAOYSA-N -1 3 396.878 3.825 20 0 GHADHM COCCn1c2ccccc2nc1-c1cc(Br)c([O-])c(OC)c1 ZINC000048880284 851516699 /nfs/dbraw/zinc/51/66/99/851516699.db2.gz NOLPVLCHEDDOEO-UHFFFAOYSA-N -1 3 377.238 3.826 20 0 GHADHM O=C(N=c1cc2ccc(Br)cn2[n-]1)[C@H]1SCCc2sccc21 ZINC000430107036 851583546 /nfs/dbraw/zinc/58/35/46/851583546.db2.gz SIASENNDICHTEQ-AWEZNQCLSA-N -1 3 394.319 3.549 20 0 GHADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000510013690 851595335 /nfs/dbraw/zinc/59/53/35/851595335.db2.gz KHQJOFZPTDEBBZ-UHFFFAOYSA-N -1 3 385.835 3.842 20 0 GHADHM Cc1ccc([C@@H](CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])N(C)C)cc1 ZINC000911238195 851636914 /nfs/dbraw/zinc/63/69/14/851636914.db2.gz MRMBNYZMZRFZEY-MAUKXSAKSA-N -1 3 386.517 3.593 20 0 GHADHM CCCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000911226945 851651694 /nfs/dbraw/zinc/65/16/94/851651694.db2.gz HCARCKAIGVXJAO-NJYVYQBISA-N -1 3 386.536 3.781 20 0 GHADHM CCc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCN3CC)o2)cc1 ZINC000911281094 851662228 /nfs/dbraw/zinc/66/22/28/851662228.db2.gz FBTSCTHBZPLJEF-LJQANCHMSA-N -1 3 398.503 3.910 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000303820253 851686574 /nfs/dbraw/zinc/68/65/74/851686574.db2.gz PCZXHXAXOVZNSR-UHFFFAOYSA-N -1 3 381.176 3.844 20 0 GHADHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)N2CCCC2)cc1 ZINC000488821201 851799594 /nfs/dbraw/zinc/79/95/94/851799594.db2.gz GBRDHDHKURJOMN-SFHVURJKSA-N -1 3 396.915 3.903 20 0 GHADHM CC1(CCNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000473747203 851828168 /nfs/dbraw/zinc/82/81/68/851828168.db2.gz IHXXBUSVMFECIW-UHFFFAOYSA-N -1 3 383.673 3.864 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cc(F)ccc1Cl ZINC000488891935 851847919 /nfs/dbraw/zinc/84/79/19/851847919.db2.gz QAGBUJGFVKVOQL-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM O=S(=O)([N-]CCSCc1ccccc1F)c1cc(F)ccc1Cl ZINC000488893380 851850505 /nfs/dbraw/zinc/85/05/05/851850505.db2.gz TWHNLAKBMSZDQM-UHFFFAOYSA-N -1 3 377.865 3.830 20 0 GHADHM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCCC1 ZINC000911779766 851889828 /nfs/dbraw/zinc/88/98/28/851889828.db2.gz SYYIFACTIOSFML-QUCCMNQESA-N -1 3 390.499 3.578 20 0 GHADHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)CC1 ZINC000436480403 851950244 /nfs/dbraw/zinc/95/02/44/851950244.db2.gz VZBBTIRJRJJKHH-UHFFFAOYSA-N -1 3 383.535 3.949 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180736490 862305403 /nfs/dbraw/zinc/30/54/03/862305403.db2.gz YXUHLUKACMBSCN-UHFFFAOYSA-N -1 3 392.786 3.983 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)n[n-]2)o1 ZINC000436483332 851978284 /nfs/dbraw/zinc/97/82/84/851978284.db2.gz DPMFIFNYQCPNPJ-JTQLQIEISA-N -1 3 391.225 3.542 20 0 GHADHM CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436511784 851998187 /nfs/dbraw/zinc/99/81/87/851998187.db2.gz JISYATBBANDTHF-UHFFFAOYSA-N -1 3 398.503 3.615 20 0 GHADHM O=C(Nc1cccc2ccsc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436514779 852002614 /nfs/dbraw/zinc/00/26/14/852002614.db2.gz PRQUUFIMOBQSAS-UHFFFAOYSA-N -1 3 381.457 3.597 20 0 GHADHM COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436526185 852017578 /nfs/dbraw/zinc/01/75/78/852017578.db2.gz PWNJSKQPODPAOB-CHWSQXEVSA-N -1 3 382.441 3.807 20 0 GHADHM CN(C)C(=O)c1ccnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436516354 852029300 /nfs/dbraw/zinc/02/93/00/852029300.db2.gz UCSNCNOOXPZFKP-UHFFFAOYSA-N -1 3 377.400 3.534 20 0 GHADHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000030587820 862311794 /nfs/dbraw/zinc/31/17/94/862311794.db2.gz HLLGPFDXOPWTAT-UHFFFAOYSA-N -1 3 393.428 3.582 20 0 GHADHM CN(CC(=O)NCc1cccs1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436551911 852038619 /nfs/dbraw/zinc/03/86/19/852038619.db2.gz BKYXYPXAMMXAFW-UHFFFAOYSA-N -1 3 396.468 3.634 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436555113 852044594 /nfs/dbraw/zinc/04/45/94/852044594.db2.gz JKSIJILISRUYQJ-QUCCMNQESA-N -1 3 380.488 3.948 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c([O-])c1C ZINC000436541988 852052323 /nfs/dbraw/zinc/05/23/23/852052323.db2.gz BLLPVWWEBQEQRC-UHFFFAOYSA-N -1 3 377.400 3.548 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc3ccccc32)cc1OC ZINC000515999877 852055399 /nfs/dbraw/zinc/05/53/99/852055399.db2.gz VWPMBZVMCNFFNU-UHFFFAOYSA-N -1 3 398.484 3.791 20 0 GHADHM Cc1ccc(O[C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)c(Br)c1 ZINC000132900322 862316926 /nfs/dbraw/zinc/31/69/26/862316926.db2.gz NVDAPILRHVWAOY-NSHDSACASA-N -1 3 382.229 3.686 20 0 GHADHM C[S@](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000436591430 852078758 /nfs/dbraw/zinc/07/87/58/852078758.db2.gz QCLNKFJVYRQKCT-MHZLTWQESA-N -1 3 381.453 3.961 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2/C=C\c2ccccc2)c([O-])c1 ZINC000436595047 852080730 /nfs/dbraw/zinc/08/07/30/852080730.db2.gz KDZFZNPVCVZZAE-GDWUOILNSA-N -1 3 378.472 3.525 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000436582525 852092055 /nfs/dbraw/zinc/09/20/55/852092055.db2.gz LTRPBUGJWHDPTE-UHFFFAOYSA-N -1 3 394.515 3.823 20 0 GHADHM CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436583409 852092576 /nfs/dbraw/zinc/09/25/76/852092576.db2.gz KDHPWSBFMHJYTO-HNNXBMFYSA-N -1 3 395.459 3.736 20 0 GHADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000436606846 852106663 /nfs/dbraw/zinc/10/66/63/852106663.db2.gz NNEABKVLPBERRR-UHFFFAOYSA-N -1 3 377.396 3.977 20 0 GHADHM COc1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(OC)c1O ZINC000436613879 852113696 /nfs/dbraw/zinc/11/36/96/852113696.db2.gz SWGANCUGYKDIOF-UHFFFAOYSA-N -1 3 393.439 3.636 20 0 GHADHM CCN(CC(F)(F)F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436624309 852118644 /nfs/dbraw/zinc/11/86/44/852118644.db2.gz JIDIBIIFFXEVHE-QGZVFWFLSA-N -1 3 394.393 3.664 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436626514 852121365 /nfs/dbraw/zinc/12/13/65/852121365.db2.gz JRENFDKBKZDJSB-OAHLLOKOSA-N -1 3 387.505 3.743 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000436623499 852137014 /nfs/dbraw/zinc/13/70/14/852137014.db2.gz ZZKVZWSKFUODDZ-IBGZPJMESA-N -1 3 384.520 3.960 20 0 GHADHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C(F)(F)F ZINC000436623823 852137320 /nfs/dbraw/zinc/13/73/20/852137320.db2.gz JERMRMVGYFKUEW-INIZCTEOSA-N -1 3 392.377 3.963 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000436646383 852156719 /nfs/dbraw/zinc/15/67/19/852156719.db2.gz GYLJLVNBNYEBKN-UHFFFAOYSA-N -1 3 399.922 3.604 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000112230130 852156844 /nfs/dbraw/zinc/15/68/44/852156844.db2.gz FKXALUZSBMVRIH-UHFFFAOYSA-N -1 3 382.463 3.667 20 0 GHADHM Cn1ccnc1COc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436678905 852186067 /nfs/dbraw/zinc/18/60/67/852186067.db2.gz DPZPTIDMTJHRRI-UHFFFAOYSA-N -1 3 393.443 3.671 20 0 GHADHM CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436682655 852190759 /nfs/dbraw/zinc/19/07/59/852190759.db2.gz RBXDJBKIXWBUHI-UHFFFAOYSA-N -1 3 396.487 3.769 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3cccc(C(F)(F)F)c3)no2)c([O-])c1 ZINC000436688274 852198785 /nfs/dbraw/zinc/19/87/85/852198785.db2.gz KNZTZGXCRJFRSP-UHFFFAOYSA-N -1 3 391.349 3.742 20 0 GHADHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2csc3ccccc23)[nH][n-]1 ZINC000436690160 852201633 /nfs/dbraw/zinc/20/16/33/852201633.db2.gz HBROJTYPMCOOIX-UHFFFAOYSA-N -1 3 376.441 3.599 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000436691181 852202724 /nfs/dbraw/zinc/20/27/24/852202724.db2.gz SDGXIVAEVHFPCM-QGZVFWFLSA-N -1 3 397.475 3.607 20 0 GHADHM COc1ccc2ccccc2c1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436695858 852208970 /nfs/dbraw/zinc/20/89/70/852208970.db2.gz GZBVBUZENKPVBG-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000473848532 852265094 /nfs/dbraw/zinc/26/50/94/852265094.db2.gz IGJKMGJMLFHCLW-SFHVURJKSA-N -1 3 395.846 3.820 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCN1CC(F)(F)F ZINC000436731896 852271452 /nfs/dbraw/zinc/27/14/52/852271452.db2.gz NYQWXWKZHZYRNF-CQSZACIVSA-N -1 3 394.393 3.893 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)N(C)C)cc1 ZINC000436734129 852273785 /nfs/dbraw/zinc/27/37/85/852273785.db2.gz ZTIRGVLTMNNMCU-GOSISDBHSA-N -1 3 376.884 3.866 20 0 GHADHM C[C@H]1CCc2nc(CNC[C@H](Cc3ccccc3Cl)C(=O)[O-])sc2C1 ZINC000426701917 852285816 /nfs/dbraw/zinc/28/58/16/852285816.db2.gz BUIIGWIREPYYMZ-JSGCOSHPSA-N -1 3 378.925 3.954 20 0 GHADHM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000436752516 852297471 /nfs/dbraw/zinc/29/74/71/852297471.db2.gz RPJFKEKSTVYLSN-UHFFFAOYSA-N -1 3 396.384 3.898 20 0 GHADHM Cn1c(CN[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426721702 852307283 /nfs/dbraw/zinc/30/72/83/852307283.db2.gz SWLLLBWPSVCUMR-HNNXBMFYSA-N -1 3 396.249 3.805 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000436782420 852335599 /nfs/dbraw/zinc/33/55/99/852335599.db2.gz HZOSOLHWSSRMKP-LJQANCHMSA-N -1 3 396.487 3.583 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3cc(NC(C)=O)ccc3[O-])cc2)cc1 ZINC000436789577 852345152 /nfs/dbraw/zinc/34/51/52/852345152.db2.gz LAXZMZJRHYMCLZ-UHFFFAOYSA-N -1 3 390.439 3.956 20 0 GHADHM COc1ccc(C[NH2+][C@@H](C(=O)[O-])C2(C)CCCCC2)c(Br)c1[O-] ZINC000426745657 852346317 /nfs/dbraw/zinc/34/63/17/852346317.db2.gz HJGTXLXTOCLRBG-HNNXBMFYSA-N -1 3 386.286 3.677 20 0 GHADHM CC1([C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C(=O)[O-])CCCCC1 ZINC000426751189 852356871 /nfs/dbraw/zinc/35/68/71/852356871.db2.gz UBDFYUGVPCXUGG-INIZCTEOSA-N -1 3 380.851 3.573 20 0 GHADHM COc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc(Br)c1[O-] ZINC000426760421 852369366 /nfs/dbraw/zinc/36/93/66/852369366.db2.gz REWRLHHHMNELCM-BDJLRTHQSA-N -1 3 394.265 3.715 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)Oc1cccc(Cl)c1 ZINC000436813290 852373262 /nfs/dbraw/zinc/37/32/62/852373262.db2.gz ZKBXRSLQKGWCRN-AWEZNQCLSA-N -1 3 379.840 3.650 20 0 GHADHM CCC(CC)(CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OC ZINC000436839535 852405641 /nfs/dbraw/zinc/40/56/41/852405641.db2.gz QBCKCNBHNSCWBG-FQEVSTJZSA-N -1 3 398.503 3.575 20 0 GHADHM CC(C)(C)c1nc(CN[C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])cs1 ZINC000426822260 852432951 /nfs/dbraw/zinc/43/29/51/852432951.db2.gz ATWATZZFGQYFQL-AWEZNQCLSA-N -1 3 384.448 3.828 20 0 GHADHM O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517798217 852436611 /nfs/dbraw/zinc/43/66/11/852436611.db2.gz GXBJMEUXNZJWRM-QGZVFWFLSA-N -1 3 396.855 3.805 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(F)c1 ZINC000426824431 852437231 /nfs/dbraw/zinc/43/72/31/852437231.db2.gz HWBJPHROOQNPSC-KRWDZBQOSA-N -1 3 393.340 3.946 20 0 GHADHM C[C@@H]1CCc2nc(CN[C@@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])sc2C1 ZINC000426827904 852441256 /nfs/dbraw/zinc/44/12/56/852441256.db2.gz XOFPNZSVFLBWLU-ABAIWWIYSA-N -1 3 396.459 3.655 20 0 GHADHM O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436857862 852443036 /nfs/dbraw/zinc/44/30/36/852443036.db2.gz LQPFFRNWFYESBZ-INIZCTEOSA-N -1 3 376.859 3.969 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000436896810 852482639 /nfs/dbraw/zinc/48/26/39/852482639.db2.gz NZJPDOULWMLSDW-VQIMIIECSA-N -1 3 393.405 3.758 20 0 GHADHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)s1 ZINC000489606223 852482741 /nfs/dbraw/zinc/48/27/41/852482741.db2.gz CVMAZRAAKBDBNO-QMMMGPOBSA-N -1 3 398.403 3.571 20 0 GHADHM CC(C)(C)c1ncc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)s1 ZINC000436913800 852491888 /nfs/dbraw/zinc/49/18/88/852491888.db2.gz HBOQEYZMCDMRNG-UHFFFAOYSA-N -1 3 377.857 3.837 20 0 GHADHM O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436921791 852502477 /nfs/dbraw/zinc/50/24/77/852502477.db2.gz XAONIPWRVLYIEF-CYBMUJFWSA-N -1 3 377.265 3.733 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1[nH]c2ccccc2c1Cl ZINC000436943243 852523992 /nfs/dbraw/zinc/52/39/92/852523992.db2.gz JKPWUASRYKMUBE-UHFFFAOYSA-N -1 3 397.862 3.562 20 0 GHADHM COC(=O)c1sc(NC(=O)c2cccc(OC)c2[O-])nc1C1CCCC1 ZINC000436947813 852530075 /nfs/dbraw/zinc/53/00/75/852530075.db2.gz SKMDZANKUAHDOG-UHFFFAOYSA-N -1 3 376.434 3.554 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(C(C)C)c2)c1 ZINC000436949109 852530684 /nfs/dbraw/zinc/53/06/84/852530684.db2.gz LMMOYHUGLOZWFW-UHFFFAOYSA-N -1 3 393.443 3.994 20 0 GHADHM CCCCCC(=O)NC1CCN(C(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC000436971495 852554807 /nfs/dbraw/zinc/55/48/07/852554807.db2.gz KCTSNKLOQJGOCR-UHFFFAOYSA-N -1 3 390.524 3.872 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c([O-])c1 ZINC000436972995 852556488 /nfs/dbraw/zinc/55/64/88/852556488.db2.gz ROEFZWLQYUHPFP-UHFFFAOYSA-N -1 3 385.460 3.787 20 0 GHADHM CCCCOc1ccc(C(=O)NCCc2nccn2Cc2ccccc2)c([O-])c1 ZINC000436974286 852557528 /nfs/dbraw/zinc/55/75/28/852557528.db2.gz XRACNXDPZDMWSP-UHFFFAOYSA-N -1 3 393.487 3.788 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c([O-])c1 ZINC000436973559 852559259 /nfs/dbraw/zinc/55/92/59/852559259.db2.gz UITUWOAFUMIQNZ-UHFFFAOYSA-N -1 3 390.867 3.935 20 0 GHADHM CC[C@H](C)C[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436977388 852563088 /nfs/dbraw/zinc/56/30/88/852563088.db2.gz DRWFXYVFSJAGLH-GXTWGEPZSA-N -1 3 389.521 3.893 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3c(ccc(OC)c3OC)C2)c([O-])c1 ZINC000436988441 852575426 /nfs/dbraw/zinc/57/54/26/852575426.db2.gz PHTYPLBAMGCYKY-UHFFFAOYSA-N -1 3 385.460 3.787 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC(Oc3cc(C)ccn3)CC2)c([O-])c1 ZINC000436988874 852577580 /nfs/dbraw/zinc/57/75/80/852577580.db2.gz PSCVFQKGYYKXEC-UHFFFAOYSA-N -1 3 384.476 3.958 20 0 GHADHM CCCCOc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)c([O-])c1 ZINC000436991741 852582010 /nfs/dbraw/zinc/58/20/10/852582010.db2.gz ZEXCDRDAMVNVBE-UHFFFAOYSA-N -1 3 395.297 3.944 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCN(c3ncc(CC)s3)CC2)c([O-])c1 ZINC000436991724 852582254 /nfs/dbraw/zinc/58/22/54/852582254.db2.gz YXZAULFHQVRJGZ-UHFFFAOYSA-N -1 3 389.521 3.552 20 0 GHADHM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c[n-]c2ccccc2c1=O ZINC000507140818 852587671 /nfs/dbraw/zinc/58/76/71/852587671.db2.gz DVIUDRSVCYZOSV-UHFFFAOYSA-N -1 3 399.454 3.765 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000427082346 852699463 /nfs/dbraw/zinc/69/94/63/852699463.db2.gz RIKHIKVCKUSRGI-UHFFFAOYSA-N -1 3 387.230 3.831 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000427082346 852699467 /nfs/dbraw/zinc/69/94/67/852699467.db2.gz RIKHIKVCKUSRGI-UHFFFAOYSA-N -1 3 387.230 3.831 20 0 GHADHM CC1(C)CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000427132852 852758672 /nfs/dbraw/zinc/75/86/72/852758672.db2.gz HXILVYWYWOFIGE-SFHVURJKSA-N -1 3 390.480 3.935 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000133106314 862399320 /nfs/dbraw/zinc/39/93/20/862399320.db2.gz OEEYMWQKTJCVJH-UHFFFAOYSA-N -1 3 379.313 3.666 20 0 GHADHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000507493830 852956689 /nfs/dbraw/zinc/95/66/89/852956689.db2.gz VDTLIARBKPZTIZ-LBPRGKRZSA-N -1 3 387.473 3.680 20 0 GHADHM CC[C@H](Cc1cccc(Br)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473857482 852965132 /nfs/dbraw/zinc/96/51/32/852965132.db2.gz RYEOBEFRAGNALM-CZUORRHYSA-N -1 3 392.297 3.653 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1OCCc2sccc21 ZINC000490505937 853061130 /nfs/dbraw/zinc/06/11/30/853061130.db2.gz SQCQXBKGYUZQSS-RFAUZJTJSA-N -1 3 375.874 3.521 20 0 GHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCN([C@H](C)c3nccs3)CC2)c1C ZINC000516929874 853152966 /nfs/dbraw/zinc/15/29/66/853152966.db2.gz UHKUZJBCPQBUBN-OAHLLOKOSA-N -1 3 396.516 3.890 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3occc3COc3ccccc3)nc21 ZINC000157776051 862433545 /nfs/dbraw/zinc/43/35/45/862433545.db2.gz NCBXGLYWGFVPBX-UHFFFAOYSA-N -1 3 391.383 3.774 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)CCCCC2)no1 ZINC000438989192 853164515 /nfs/dbraw/zinc/16/45/15/853164515.db2.gz YIVKQTSCSQNHMV-UHFFFAOYSA-N -1 3 383.539 3.875 20 0 GHADHM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)c2)n1 ZINC000516946918 853188076 /nfs/dbraw/zinc/18/80/76/853188076.db2.gz AWBJXJTXJNFQMT-UHFFFAOYSA-N -1 3 388.493 3.717 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298232 853208208 /nfs/dbraw/zinc/20/82/08/853208208.db2.gz HHCIEZFBEACMLH-CYBMUJFWSA-N -1 3 395.415 3.692 20 0 GHADHM CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298232 853208213 /nfs/dbraw/zinc/20/82/13/853208213.db2.gz HHCIEZFBEACMLH-CYBMUJFWSA-N -1 3 395.415 3.692 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000506062984 853216834 /nfs/dbraw/zinc/21/68/34/853216834.db2.gz GQXYDVPRLBSMHS-FQEVSTJZSA-N -1 3 394.446 3.573 20 0 GHADHM CCSCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000439061717 853229688 /nfs/dbraw/zinc/22/96/88/853229688.db2.gz UZKMTFAXGWPBEI-SFHVURJKSA-N -1 3 384.501 3.889 20 0 GHADHM COCc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1OC ZINC000913335185 853254897 /nfs/dbraw/zinc/25/48/97/853254897.db2.gz YWGZOCPJLHRONN-UHFFFAOYSA-N -1 3 393.465 3.897 20 0 GHADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1Cl ZINC000481869694 862447205 /nfs/dbraw/zinc/44/72/05/862447205.db2.gz FNWJNPNZYQBJGT-UHFFFAOYSA-N -1 3 377.268 3.995 20 0 GHADHM CCCCOc1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000518393814 853299917 /nfs/dbraw/zinc/29/99/17/853299917.db2.gz JVIBAMVKBKLXDQ-UHFFFAOYSA-N -1 3 375.856 3.822 20 0 GHADHM CCc1nccn1[C@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1 ZINC000518521484 853464990 /nfs/dbraw/zinc/46/49/90/853464990.db2.gz COHDIWBZKWDLLO-HKUYNNGSSA-N -1 3 376.508 3.672 20 0 GHADHM COc1cc2c(cc1OC)CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)CC2 ZINC000519758847 853469448 /nfs/dbraw/zinc/46/94/48/853469448.db2.gz JMQDSZIMOFZCOA-UHFFFAOYSA-N -1 3 375.852 3.656 20 0 GHADHM CCOC(=O)c1cc([N-]C(=O)c2ncc(Br)s2)c(F)cc1C ZINC000586828312 853571990 /nfs/dbraw/zinc/57/19/90/853571990.db2.gz MXHKVTLYEQHWPG-UHFFFAOYSA-N -1 3 387.230 3.782 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000509189735 862482943 /nfs/dbraw/zinc/48/29/43/862482943.db2.gz HQMOUSDUDZLUQT-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM Cc1sc2ncn([N-]C(=O)c3cccc(C)c3Br)c(=O)c2c1C ZINC000156362876 853713419 /nfs/dbraw/zinc/71/34/19/853713419.db2.gz DKKJLSCBCZLUKK-UHFFFAOYSA-N -1 3 392.278 3.530 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)ncc1Cl ZINC000156415365 853748644 /nfs/dbraw/zinc/74/86/44/853748644.db2.gz WNZSKLATFMPSRZ-UHFFFAOYSA-N -1 3 376.037 3.787 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)c(C)c1 ZINC000055643266 854043556 /nfs/dbraw/zinc/04/35/56/854043556.db2.gz FJLCFFOXFCJCCM-UHFFFAOYSA-N 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ZINC000068669064 854608863 /nfs/dbraw/zinc/60/88/63/854608863.db2.gz NNTJOUDPGYAMDV-SFHVURJKSA-N -1 3 396.878 3.626 20 0 GHADHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000330630745 854712800 /nfs/dbraw/zinc/71/28/00/854712800.db2.gz OTQQTYTYLFMQQA-WCQYABFASA-N -1 3 396.734 3.584 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)c(=O)c2c(OC)c1 ZINC000624034347 862598696 /nfs/dbraw/zinc/59/86/96/862598696.db2.gz LEQIAYSGCDLWSP-YEWWUXTCSA-N -1 3 384.476 3.586 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1Cl ZINC000330807877 854755314 /nfs/dbraw/zinc/75/53/14/854755314.db2.gz AOGGHQIXVXQYIQ-CQSZACIVSA-N -1 3 398.834 3.698 20 0 GHADHM CC(C)c1scnc1C(=O)Nc1cc(I)ccc1[O-] ZINC000589399905 854832260 /nfs/dbraw/zinc/83/22/60/854832260.db2.gz GRCQAVHOMBFCTK-UHFFFAOYSA-N -1 3 388.230 3.829 20 0 GHADHM Cc1ccc(C(C)(C)CNC(=O)NCc2ccc([O-])c(Br)c2)nc1 ZINC000624598536 854934539 /nfs/dbraw/zinc/93/45/39/854934539.db2.gz ZQWCHVUSMPIDMI-UHFFFAOYSA-N -1 3 392.297 3.635 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1OCC(F)(F)F ZINC000482034937 862628383 /nfs/dbraw/zinc/62/83/83/862628383.db2.gz CGQZYTOTNHODEW-UHFFFAOYSA-N -1 3 375.368 3.746 20 0 GHADHM COc1ccc(CN(CC2CCC2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000572855155 855045516 /nfs/dbraw/zinc/04/55/16/855045516.db2.gz YCJZSGOZLSQTAR-UHFFFAOYSA-N -1 3 397.475 3.519 20 0 GHADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3ncn(Cc4ccccc4)n3)s2)o1 ZINC000054627841 855176736 /nfs/dbraw/zinc/17/67/36/855176736.db2.gz ZJEBCBFRBNAQGZ-UHFFFAOYSA-N -1 3 379.445 3.912 20 0 GHADHM COc1ccnc(OC)c1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC001128046633 855194776 /nfs/dbraw/zinc/19/47/76/855194776.db2.gz STQRTDGIGDNAAP-AWEZNQCLSA-N -1 3 396.472 3.671 20 0 GHADHM CCCCc1nc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)c(C(=O)OCC)[n-]1 ZINC001128074011 855230185 /nfs/dbraw/zinc/23/01/85/855230185.db2.gz ORZZXLLGOHLQCF-HNNXBMFYSA-N -1 3 376.284 3.842 20 0 GHADHM CCCCc1nc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c(C(=O)OCC)[n-]1 ZINC001128074211 855230435 /nfs/dbraw/zinc/23/04/35/855230435.db2.gz QYNBJABSCJEQLJ-AWEZNQCLSA-N -1 3 391.855 3.525 20 0 GHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000590081080 855260121 /nfs/dbraw/zinc/26/01/21/855260121.db2.gz GGRJPZUSIKLEEG-ZBFHGGJFSA-N -1 3 397.541 3.937 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCN(C)c4ccccc4C3)cc2)cc(=O)[n-]1 ZINC000590081781 855260143 /nfs/dbraw/zinc/26/01/43/855260143.db2.gz XXWOADOKMOGQDZ-UHFFFAOYSA-N -1 3 389.459 3.642 20 0 GHADHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[N-]C(=O)c1ccccc1F ZINC000057381795 855361392 /nfs/dbraw/zinc/36/13/92/855361392.db2.gz YOHLNBVQQSMGON-UHFFFAOYSA-N -1 3 395.868 3.668 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000590310636 855371255 /nfs/dbraw/zinc/37/12/55/855371255.db2.gz CHWKWOQNICZNHA-UHFFFAOYSA-N -1 3 398.470 3.736 20 0 GHADHM COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCCCC(=O)[O-])CC2 ZINC000181538977 855555225 /nfs/dbraw/zinc/55/52/25/855555225.db2.gz YCIKUQGWRSBKKJ-HXUWFJFHSA-N -1 3 375.490 3.968 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(Cc4cccs4)CCCCC3)cc2n(C)c1=O ZINC000573031941 855695046 /nfs/dbraw/zinc/69/50/46/855695046.db2.gz USRSHZBRZKULPS-UHFFFAOYSA-N -1 3 399.516 3.776 20 0 GHADHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000152356773 855733550 /nfs/dbraw/zinc/73/35/50/855733550.db2.gz ZBNFSILBLTXWSN-VIFPVBQESA-N -1 3 378.302 3.995 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482113170 862715592 /nfs/dbraw/zinc/71/55/92/862715592.db2.gz JYKDPLLOJXYCQU-GUYCJALGSA-N -1 3 399.292 3.929 20 0 GHADHM CC(C)Cn1cc(CN[C@@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])cn1 ZINC000417638918 855772678 /nfs/dbraw/zinc/77/26/78/855772678.db2.gz KTCBRERDXXQCCI-CXAGYDPISA-N -1 3 394.313 3.853 20 0 GHADHM CC(C)(C)OC(=O)C[C@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000417663579 855824718 /nfs/dbraw/zinc/82/47/18/855824718.db2.gz NGQHWTVEYKRUBX-LBPRGKRZSA-N -1 3 381.778 3.633 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)cc1 ZINC000108639324 855965127 /nfs/dbraw/zinc/96/51/27/855965127.db2.gz UISHEJDFVGRBNJ-UHFFFAOYSA-N -1 3 385.489 3.752 20 0 GHADHM CCCc1c(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)[nH]c(C)c1C(C)=O ZINC000591449210 855994137 /nfs/dbraw/zinc/99/41/37/855994137.db2.gz PAABBACHTCEGED-UHFFFAOYSA-N -1 3 380.448 3.551 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000573291105 856015120 /nfs/dbraw/zinc/01/51/20/856015120.db2.gz ABQBARRWYMRWQD-ICSRJNTNSA-N -1 3 394.475 3.723 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1OC ZINC000029047362 856015634 /nfs/dbraw/zinc/01/56/34/856015634.db2.gz KHTJXHZQJNGHEO-UHFFFAOYSA-N -1 3 379.478 3.930 20 0 GHADHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cnc(C3CCC3)s2)n[n-]1 ZINC000895105620 856041152 /nfs/dbraw/zinc/04/11/52/856041152.db2.gz VADQSIFUQYELDI-CQSZACIVSA-N -1 3 377.514 3.582 20 0 GHADHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cnc(C3CCC3)s2)[n-]1 ZINC000895105620 856041158 /nfs/dbraw/zinc/04/11/58/856041158.db2.gz VADQSIFUQYELDI-CQSZACIVSA-N -1 3 377.514 3.582 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cnc(C3CCC3)s2)n1 ZINC000895105620 856041164 /nfs/dbraw/zinc/04/11/64/856041164.db2.gz VADQSIFUQYELDI-CQSZACIVSA-N -1 3 377.514 3.582 20 0 GHADHM O=S(=O)([N-]CCc1cccc2cccnc21)c1ccc(Br)s1 ZINC000030442883 856105221 /nfs/dbraw/zinc/10/52/21/856105221.db2.gz PKMUIOMWKIZDNO-UHFFFAOYSA-N -1 3 397.319 3.580 20 0 GHADHM O=C(CCc1cccc2c1OCO2)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485097817 856107688 /nfs/dbraw/zinc/10/76/88/856107688.db2.gz YBDWHYPZULZCEB-UHFFFAOYSA-N -1 3 376.372 3.518 20 0 GHADHM COc1cc(CCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc(OC)c1 ZINC000485106964 856117675 /nfs/dbraw/zinc/11/76/75/856117675.db2.gz LXQYPPIBLHEAFD-UHFFFAOYSA-N -1 3 392.415 3.806 20 0 GHADHM CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000031681385 856182500 /nfs/dbraw/zinc/18/25/00/856182500.db2.gz CZXFILNKWNXLOI-HNNXBMFYSA-N -1 3 390.480 3.889 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCC(C)CC1 ZINC000303910250 856199024 /nfs/dbraw/zinc/19/90/24/856199024.db2.gz WZWRIYHDGGMQJF-LBPRGKRZSA-N -1 3 398.878 3.758 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)N=c3cc4ccc(Br)cn4[n-]3)C2)C1 ZINC000482189418 862787971 /nfs/dbraw/zinc/78/79/71/862787971.db2.gz XFYBUQRVTOACPF-SJKOYZFVSA-N -1 3 377.286 3.563 20 0 GHADHM CCOC(=O)c1sc2[n-]c(Cc3ncc(C(C)(C)C)s3)nc(=O)c2c1C ZINC000485362086 856401150 /nfs/dbraw/zinc/40/11/50/856401150.db2.gz MFPAPIXGVZHLBW-UHFFFAOYSA-N -1 3 391.518 3.815 20 0 GHADHM CCCC[C@@H](CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001128760891 856473437 /nfs/dbraw/zinc/47/34/37/856473437.db2.gz PIEVIXMYQJVOQQ-GFCCVEGCSA-N -1 3 395.352 3.604 20 0 GHADHM O=S(=O)([N-]CCc1cccs1)c1cc(Cl)ccc1Br ZINC000485432047 856512232 /nfs/dbraw/zinc/51/22/32/856512232.db2.gz BLEPMQPCEYPAJN-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM COc1ccc(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)c([O-])c1 ZINC000195738300 856550827 /nfs/dbraw/zinc/55/08/27/856550827.db2.gz NPGXMGFPXCGGIW-NRFANRHFSA-N -1 3 387.439 3.807 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1F ZINC000046149365 856580483 /nfs/dbraw/zinc/58/04/83/856580483.db2.gz QCBTXZKKMICWAH-OAHLLOKOSA-N -1 3 396.509 3.551 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 ZINC000507859768 856582247 /nfs/dbraw/zinc/58/22/47/856582247.db2.gz AFXPLDJDYCKINN-UHFFFAOYSA-N -1 3 390.439 3.626 20 0 GHADHM CC(C)(C)c1ccc(OCCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000482213174 862813776 /nfs/dbraw/zinc/81/37/76/862813776.db2.gz OJOAGBQQYGQEGG-UHFFFAOYSA-N -1 3 384.402 3.596 20 0 GHADHM Cc1cccc(COc2cccc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC000482218559 862817396 /nfs/dbraw/zinc/81/73/96/862817396.db2.gz UROPJNOEBYDEMQ-UHFFFAOYSA-N -1 3 390.365 3.641 20 0 GHADHM O=C(CCCSc1ccc(Cl)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482217246 862817870 /nfs/dbraw/zinc/81/78/70/862817870.db2.gz GEDUIHUKRCSENA-UHFFFAOYSA-N -1 3 378.807 3.666 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000482220846 862821751 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O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111650765 856968714 /nfs/dbraw/zinc/96/87/14/856968714.db2.gz SPJZJJZQZARYNB-VQIMIIECSA-N -1 3 398.890 3.666 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc(F)c(F)c1 ZINC000508136377 856980317 /nfs/dbraw/zinc/98/03/17/856980317.db2.gz ZZKFYRDKCXERBF-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM CCOc1cc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c(F)cc1F ZINC001212529545 857022319 /nfs/dbraw/zinc/02/23/19/857022319.db2.gz GOOBSVOOABQBBW-UHFFFAOYSA-N -1 3 383.395 3.544 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000675151878 857039101 /nfs/dbraw/zinc/03/91/01/857039101.db2.gz KBYTUNJTFWJZGA-AWEZNQCLSA-N -1 3 383.407 3.718 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2nccn2Cc2ccccc2)s1 ZINC000906366980 857043953 /nfs/dbraw/zinc/04/39/53/857043953.db2.gz GHVQLZYYBQDULD-UHFFFAOYSA-N -1 3 399.476 3.987 20 0 GHADHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000508213182 857050578 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GHADHM CC(C)OC1CCC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000672391832 857235904 /nfs/dbraw/zinc/23/59/04/857235904.db2.gz KMABFVWBCFVGHM-UHFFFAOYSA-N -1 3 399.406 3.739 20 0 GHADHM Cc1ccc(Sc2ncccc2C(=O)NCc2cnc(C)[n-]c2=O)c(C)c1 ZINC000544340282 857245924 /nfs/dbraw/zinc/24/59/24/857245924.db2.gz KVNVEOMEZZSWRT-UHFFFAOYSA-N -1 3 380.473 3.584 20 0 GHADHM [O-]c1cccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1Br ZINC000668572003 857324233 /nfs/dbraw/zinc/32/42/33/857324233.db2.gz TWXBYZBUWNUHLO-DLBZAZTESA-N -1 3 376.294 3.753 20 0 GHADHM Oc1[n-]c(SCCOC(c2ccccc2)c2ccccc2)nc2nncc1-2 ZINC000542980835 857370596 /nfs/dbraw/zinc/37/05/96/857370596.db2.gz DXCWQHLSPNBMES-UHFFFAOYSA-N -1 3 378.457 3.957 20 0 GHADHM Cc1c([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)cnn1-c1ccccc1F ZINC000187031906 857373285 /nfs/dbraw/zinc/37/32/85/857373285.db2.gz DTOXTJFTRYSPMJ-UHFFFAOYSA-N -1 3 399.447 3.885 20 0 GHADHM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907049129 857449182 /nfs/dbraw/zinc/44/91/82/857449182.db2.gz QKIRQMAZCYDRSE-GFCCVEGCSA-N -1 3 391.493 3.899 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000063443009 857618529 /nfs/dbraw/zinc/61/85/29/857618529.db2.gz VKNYAYAVHXBNSD-UHFFFAOYSA-N -1 3 379.478 3.690 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H](C)c3c[nH]c4ccccc43)nc21 ZINC000486303971 857639727 /nfs/dbraw/zinc/63/97/27/857639727.db2.gz HVMNYOWFDVNESW-GFCCVEGCSA-N -1 3 376.416 3.963 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(OC)c1 ZINC000063772780 857656410 /nfs/dbraw/zinc/65/64/10/857656410.db2.gz SXHJVQQTKXTIGO-UHFFFAOYSA-N -1 3 390.288 3.532 20 0 GHADHM Cc1c([O-])ccc2c(CN(C)Cc3ccc(Br)o3)cc(=O)oc12 ZINC000030215200 857736531 /nfs/dbraw/zinc/73/65/31/857736531.db2.gz ACWXWHLSRMGAFW-UHFFFAOYSA-N -1 3 378.222 3.795 20 0 GHADHM CCc1c(NC(=O)c2cnc(C3CC3)[n-]c2=O)cnn1-c1ccccc1Cl ZINC000907711056 857744068 /nfs/dbraw/zinc/74/40/68/857744068.db2.gz YVRSKWYCVRVUHF-UHFFFAOYSA-N -1 3 383.839 3.713 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(C3OCCO3)c2)s1 ZINC000907792632 857781459 /nfs/dbraw/zinc/78/14/59/857781459.db2.gz KFPWXWTVKZQTHZ-UHFFFAOYSA-N -1 3 391.449 3.788 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCC2CCCCC2)cc1OC ZINC000065790230 857790211 /nfs/dbraw/zinc/79/02/11/857790211.db2.gz GZTQROHIRBSSJH-UHFFFAOYSA-N -1 3 397.541 3.939 20 0 GHADHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000121017909 857816973 /nfs/dbraw/zinc/81/69/73/857816973.db2.gz OHPPJCDZQWNMGS-UHFFFAOYSA-N -1 3 398.278 3.653 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1 ZINC000065635920 857829222 /nfs/dbraw/zinc/82/92/22/857829222.db2.gz KFJSCJLXHOFJLF-UHFFFAOYSA-N -1 3 390.439 3.860 20 0 GHADHM CC(C)c1ncc(CN(C)C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC000908002270 857881281 /nfs/dbraw/zinc/88/12/81/857881281.db2.gz PZLSULTTZURGGL-UHFFFAOYSA-N -1 3 391.497 3.676 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1C ZINC000676559497 857942408 /nfs/dbraw/zinc/94/24/08/857942408.db2.gz GIDAJUZMPXOMGL-UHFFFAOYSA-N -1 3 381.404 3.939 20 0 GHADHM O=C(Nc1cc(F)ccc1[O-])c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000442568271 857942639 /nfs/dbraw/zinc/94/26/39/857942639.db2.gz OJYHVPTZEOZGOD-UHFFFAOYSA-N -1 3 399.447 3.744 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486696073 857991569 /nfs/dbraw/zinc/99/15/69/857991569.db2.gz BQXALQBPYUIMFT-WBVHZDCISA-N -1 3 391.464 3.617 20 0 GHADHM O=C(CCc1c2ccccc2[nH]c1-c1ccccc1)NCCCc1cc(=O)[nH][n-]1 ZINC000908233076 858005202 /nfs/dbraw/zinc/00/52/02/858005202.db2.gz SNKSMANYXYHMEO-UHFFFAOYSA-N -1 3 388.471 3.540 20 0 GHADHM Cc1cccc(Oc2ccccc2C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000442650837 858027645 /nfs/dbraw/zinc/02/76/45/858027645.db2.gz PPDDCBDPSZPHDT-UHFFFAOYSA-N -1 3 390.439 3.653 20 0 GHADHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Oc1ccccc1 ZINC000078549659 858097240 /nfs/dbraw/zinc/09/72/40/858097240.db2.gz LDQJHNYFBUXIKS-CQSZACIVSA-N -1 3 386.407 3.854 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1cnccc1C(F)(F)F ZINC000442747680 858107714 /nfs/dbraw/zinc/10/77/14/858107714.db2.gz ZNTMHUPUBDLKMP-UHFFFAOYSA-N -1 3 392.349 3.736 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1cnccc1C(F)(F)F ZINC000442752069 858110166 /nfs/dbraw/zinc/11/01/66/858110166.db2.gz CXDCWWKNVZLDFX-KRWDZBQOSA-N -1 3 393.390 3.563 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000605320164 862985725 /nfs/dbraw/zinc/98/57/25/862985725.db2.gz HVAFBAJZOIOIRQ-UHFFFAOYSA-N -1 3 392.315 3.906 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2c(Cl)cccc21)c1cnccc1C(F)(F)F ZINC000442808116 858132993 /nfs/dbraw/zinc/13/29/93/858132993.db2.gz GMZPKOXMRRKHDL-GFCCVEGCSA-N -1 3 392.786 3.556 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442840613 858177274 /nfs/dbraw/zinc/17/72/74/858177274.db2.gz MGDOKDPUTUWUBZ-UHFFFAOYSA-N -1 3 392.221 3.675 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1OC ZINC000521677120 858218580 /nfs/dbraw/zinc/21/85/80/858218580.db2.gz MCIAZLRWIWIBMA-UHFFFAOYSA-N -1 3 395.330 3.542 20 0 GHADHM C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000594822024 858286413 /nfs/dbraw/zinc/28/64/13/858286413.db2.gz JWOMEWMSCCBSCP-JSGCOSHPSA-N -1 3 395.443 3.577 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC(Cc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000521777119 858318659 /nfs/dbraw/zinc/31/86/59/858318659.db2.gz KOPRCWWSXCUMRO-UHFFFAOYSA-N -1 3 389.499 3.702 20 0 GHADHM CCc1c(C(=O)Nc2ncccc2[O-])cnn1-c1ccc(Br)cc1 ZINC000543094528 858318968 /nfs/dbraw/zinc/31/89/68/858318968.db2.gz AYWLGSRZGYFLLC-UHFFFAOYSA-N -1 3 387.237 3.550 20 0 GHADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc2ccccc2o1 ZINC000443093161 858371503 /nfs/dbraw/zinc/37/15/03/858371503.db2.gz LPMCSBGJZDNWFT-NSHDSACASA-N -1 3 393.848 3.912 20 0 GHADHM COc1ccc(-c2nnc(SCc3ncccc3[O-])n2C[C@H]2CCCO2)cc1 ZINC000574867807 858399891 /nfs/dbraw/zinc/39/98/91/858399891.db2.gz AGEZPTBOWYLVBD-MRXNPFEDSA-N -1 3 398.488 3.526 20 0 GHADHM CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1C ZINC000595554732 858566086 /nfs/dbraw/zinc/56/60/86/858566086.db2.gz QLSJWFKSJPNIAY-BFHYXJOUSA-N -1 3 383.448 3.634 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000443349799 858577220 /nfs/dbraw/zinc/57/72/20/858577220.db2.gz HCUXWHFTDFOSKD-ZDUSSCGKSA-N -1 3 385.894 3.776 20 0 GHADHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000443352085 858594115 /nfs/dbraw/zinc/59/41/15/858594115.db2.gz PNSFFJUYKMEDHL-GFCCVEGCSA-N -1 3 387.935 3.937 20 0 GHADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000171969690 863053262 /nfs/dbraw/zinc/05/32/62/863053262.db2.gz HKJJRSAQJYHQTG-VHSXEESVSA-N -1 3 393.336 3.599 20 0 GHADHM CCOc1cccc2cc([C@H](C)NC(=O)NCc3nc(C(F)(F)F)n[n-]3)oc21 ZINC000482675624 858753631 /nfs/dbraw/zinc/75/36/31/858753631.db2.gz SAEMSRDNVUOGHD-VIFPVBQESA-N -1 3 397.357 3.529 20 0 GHADHM Cc1occc1CN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183585786 858777802 /nfs/dbraw/zinc/77/78/02/858777802.db2.gz QDXRMCXDDDHWLB-UHFFFAOYSA-N -1 3 399.472 3.512 20 0 GHADHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000443492859 858826923 /nfs/dbraw/zinc/82/69/23/858826923.db2.gz RNUWCOXDEOJAHT-BXUZGUMPSA-N -1 3 399.862 3.968 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000183896021 858834631 /nfs/dbraw/zinc/83/46/31/858834631.db2.gz WHTNCZLYSGUZBP-KRWDZBQOSA-N -1 3 398.356 3.833 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000183896040 858835035 /nfs/dbraw/zinc/83/50/35/858835035.db2.gz WHTNCZLYSGUZBP-QGZVFWFLSA-N -1 3 398.356 3.833 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2Br)c1 ZINC000482764574 858836272 /nfs/dbraw/zinc/83/62/72/858836272.db2.gz CYOOGHQZKIJCIR-UHFFFAOYSA-N -1 3 395.228 3.524 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c1Cl ZINC000615205763 858852734 /nfs/dbraw/zinc/85/27/34/858852734.db2.gz XYFJDINQVMDBNY-UHFFFAOYSA-N -1 3 378.252 3.798 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCCOC(C)C)cc2)cc1 ZINC000184052077 858868024 /nfs/dbraw/zinc/86/80/24/858868024.db2.gz BWZYEYVNBZBUKA-UHFFFAOYSA-N -1 3 390.505 3.940 20 0 GHADHM O=C([N-]c1nncn1-c1cccnc1)c1sc(-c2ccccc2)nc1C(F)F ZINC000673388940 858880914 /nfs/dbraw/zinc/88/09/14/858880914.db2.gz PIBHQRDLLZTQMH-UHFFFAOYSA-N -1 3 398.398 3.976 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000482860524 858925772 /nfs/dbraw/zinc/92/57/72/858925772.db2.gz VDGVWUNRTBTXOH-OAHLLOKOSA-N -1 3 393.344 3.551 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)Oc1ccccc1 ZINC000522277835 858943601 /nfs/dbraw/zinc/94/36/01/858943601.db2.gz ZBKISTGITLAODE-UHFFFAOYSA-N -1 3 390.324 3.647 20 0 GHADHM Cc1cccc(C)c1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482981687 859031887 /nfs/dbraw/zinc/03/18/87/859031887.db2.gz LTFSKEXKLRAARI-UHFFFAOYSA-N -1 3 377.282 3.813 20 0 GHADHM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1[O-] ZINC000596754559 859048301 /nfs/dbraw/zinc/04/83/01/859048301.db2.gz QLBDIVFVJKVISJ-UHFFFAOYSA-N -1 3 375.808 3.809 20 0 GHADHM O=C(c1cc(Cl)ccc1Sc1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000185241706 859062391 /nfs/dbraw/zinc/06/23/91/859062391.db2.gz FOZWEALXHVOOTP-UHFFFAOYSA-N -1 3 397.887 3.773 20 0 GHADHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1Cl ZINC000483098581 859136467 /nfs/dbraw/zinc/13/64/67/859136467.db2.gz KGQLGUJSCDOCRN-LURJTMIESA-N -1 3 382.173 3.691 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000193458848 859163251 /nfs/dbraw/zinc/16/32/51/859163251.db2.gz SRIQCFBIFZFHPV-UHFFFAOYSA-N -1 3 385.807 3.524 20 0 GHADHM [O-]c1cccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1Br ZINC000560603950 859168152 /nfs/dbraw/zinc/16/81/52/859168152.db2.gz QQMJIRHSFJFKIS-ZDUSSCGKSA-N -1 3 390.199 3.997 20 0 GHADHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000483276904 859264533 /nfs/dbraw/zinc/26/45/33/859264533.db2.gz PSPMLRUCETVOOI-LLVKDONJSA-N -1 3 391.397 3.616 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000923466854 859333028 /nfs/dbraw/zinc/33/30/28/859333028.db2.gz AUOJWHVCZDBSBR-PZJWPPBQSA-N -1 3 386.517 3.531 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000923468599 859345315 /nfs/dbraw/zinc/34/53/15/859345315.db2.gz YAVNRWDBZCTWMS-KPZWWZAWSA-N -1 3 387.307 3.747 20 0 GHADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000509413035 859363882 /nfs/dbraw/zinc/36/38/82/859363882.db2.gz AUOPXAIDEINPER-MRXNPFEDSA-N -1 3 396.274 3.982 20 0 GHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483541343 859438264 /nfs/dbraw/zinc/43/82/64/859438264.db2.gz GEVFXNXJFIABGI-ZIAGYGMSSA-N -1 3 381.402 3.691 20 0 GHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483544966 859440325 /nfs/dbraw/zinc/44/03/25/859440325.db2.gz QJOOPJHQUALLBT-NXEZZACHSA-N -1 3 389.809 3.811 20 0 GHADHM Cc1ccc(CCC2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)cc1 ZINC000483538222 859449195 /nfs/dbraw/zinc/44/91/95/859449195.db2.gz AZINDUWGKUYGHJ-UHFFFAOYSA-N -1 3 395.429 3.686 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483562693 859452219 /nfs/dbraw/zinc/45/22/19/859452219.db2.gz SLFHBGZLCUKUGU-LBPRGKRZSA-N -1 3 381.402 3.896 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052486361 859543711 /nfs/dbraw/zinc/54/37/11/859543711.db2.gz DIBUDGGFIJVYPZ-OAQYLSRUSA-N -1 3 388.467 3.809 20 0 GHADHM Cc1cc(CCCC(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(C)s1 ZINC000673505611 859612362 /nfs/dbraw/zinc/61/23/62/859612362.db2.gz PNACJFWMMUDYFO-UONOGXRCSA-N -1 3 389.521 3.568 20 0 GHADHM O=C(Cc1cc2ccccc2o1)Nc1cc(I)ccc1[O-] ZINC000611156306 859623748 /nfs/dbraw/zinc/62/37/48/859623748.db2.gz AUJJJSYXLWHHOV-UHFFFAOYSA-N -1 3 393.180 3.924 20 0 GHADHM C[C@H](NC(=O)C1(c2cccc(F)c2)CCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502664 859625491 /nfs/dbraw/zinc/62/54/91/859625491.db2.gz FHVWBCALBIBBIM-GJZGRUSLSA-N -1 3 399.466 3.518 20 0 GHADHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])n1 ZINC000597557006 859634745 /nfs/dbraw/zinc/63/47/45/859634745.db2.gz BAAQMHMUXPNWEE-CQSZACIVSA-N -1 3 392.502 3.725 20 0 GHADHM [O-]c1coc2cc(OCc3nc(-c4cccc(Br)c4)no3)ccc12 ZINC000642608575 912212462 /nfs/dbraw/zinc/21/24/62/912212462.db2.gz IFNROLBOEWRTMV-UHFFFAOYSA-N -1 3 387.189 3.653 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)c([O-])c1 ZINC000611294978 859679958 /nfs/dbraw/zinc/67/99/58/859679958.db2.gz XIZKLLOKQFHSJC-UHFFFAOYSA-N -1 3 384.354 3.802 20 0 GHADHM C[C@@](CO)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000480856870 859690121 /nfs/dbraw/zinc/69/01/21/859690121.db2.gz ZQLDSWRHWFFNEU-KRWDZBQOSA-N -1 3 388.316 3.513 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)c[n-]c12 ZINC000163320854 859693789 /nfs/dbraw/zinc/69/37/89/859693789.db2.gz WUNBNDRONBMZKY-UHFFFAOYSA-N -1 3 398.344 3.896 20 0 GHADHM CCN(Cc1nc(=O)n(C)[n-]1)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC000543437095 859700440 /nfs/dbraw/zinc/70/04/40/859700440.db2.gz ZQTVOFHKTUUEFT-UHFFFAOYSA-N -1 3 394.519 3.635 20 0 GHADHM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C(C1CC1)C1CC1 ZINC000543432679 859703550 /nfs/dbraw/zinc/70/35/50/859703550.db2.gz JIFHGHJOSCRSNF-UHFFFAOYSA-N -1 3 380.366 3.687 20 0 GHADHM COc1cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)cc(OC)c1[O-] ZINC000597762859 859797800 /nfs/dbraw/zinc/79/78/00/859797800.db2.gz HRRDEYXXNLFCGI-UHFFFAOYSA-N -1 3 393.480 3.574 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000474313941 859840358 /nfs/dbraw/zinc/84/03/58/859840358.db2.gz DRRXFHHXFLFNBZ-UHFFFAOYSA-N -1 3 382.445 3.961 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1[O-] ZINC000163508397 859882295 /nfs/dbraw/zinc/88/22/95/859882295.db2.gz ALQXNZFIGHTAKX-MRXNPFEDSA-N -1 3 384.476 3.689 20 0 GHADHM CCOc1ncc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1Cl ZINC000602325747 859956235 /nfs/dbraw/zinc/95/62/35/859956235.db2.gz YYYAYJDMLSKBDP-UHFFFAOYSA-N -1 3 377.231 3.851 20 0 GHADHM CCC[C@H](C)CS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000163594440 859957298 /nfs/dbraw/zinc/95/72/98/859957298.db2.gz HLGUIOBAZWXJPY-HOTGVXAUSA-N -1 3 399.557 3.826 20 0 GHADHM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc2c(cc1[O-])OCO2 ZINC000436537201 860022046 /nfs/dbraw/zinc/02/20/46/860022046.db2.gz GQCIENSDQHZFIJ-NDEPHWFRSA-N -1 3 395.436 3.681 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000060787073 860038438 /nfs/dbraw/zinc/03/84/38/860038438.db2.gz HOXVKTLPNVQZGA-UHFFFAOYSA-N -1 3 388.423 3.882 20 0 GHADHM COc1cc(Br)c(CN[C@H](CCCC(C)C)C(=O)[O-])c(OC)c1 ZINC000904036417 860054584 /nfs/dbraw/zinc/05/45/84/860054584.db2.gz MAUPMEAEKKXTMV-OAHLLOKOSA-N -1 3 388.302 3.835 20 0 GHADHM CCn1nc(CN[C@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)c2ccccc21 ZINC000904062125 860083263 /nfs/dbraw/zinc/08/32/63/860083263.db2.gz COZGCPHBAMIHCW-ZDUSSCGKSA-N -1 3 391.393 3.649 20 0 GHADHM O=C([O-])CC[C@@H](NCc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000904072137 860097461 /nfs/dbraw/zinc/09/74/61/860097461.db2.gz BADOYCPOCAPTQW-QGZVFWFLSA-N -1 3 392.297 3.751 20 0 GHADHM C[S@](=O)Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1Cl ZINC000115724927 860105938 /nfs/dbraw/zinc/10/59/38/860105938.db2.gz ABHSZCJAXBBSRY-AREMUKBSSA-N -1 3 393.892 3.890 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000115732853 860115405 /nfs/dbraw/zinc/11/54/05/860115405.db2.gz UEBCHSWEBCZOHP-UHFFFAOYSA-N -1 3 382.338 3.521 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000904069175 860119422 /nfs/dbraw/zinc/11/94/22/860119422.db2.gz JCNJUTMDPNNBAS-FOIQADDNSA-N -1 3 391.899 3.563 20 0 GHADHM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525926322 860134783 /nfs/dbraw/zinc/13/47/83/860134783.db2.gz UQMDFSPUWBDKAL-QGZVFWFLSA-N -1 3 383.469 3.528 20 0 GHADHM COc1ccc(CSc2nnc(SCc3cc(=O)c([O-])co3)s2)cc1 ZINC000494299217 881504487 /nfs/dbraw/zinc/50/44/87/881504487.db2.gz UTZYEQTXHKDAGY-UHFFFAOYSA-N -1 3 394.499 3.790 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000058299388 881505204 /nfs/dbraw/zinc/50/52/04/881505204.db2.gz NBJSACPXNLBSHG-UHFFFAOYSA-N -1 3 377.444 3.775 20 0 GHADHM CN1C(=O)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000527460730 860180501 /nfs/dbraw/zinc/18/05/01/860180501.db2.gz XVKRYVSVUFEVDC-RXVVDRJESA-N -1 3 396.393 3.525 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000673576572 860227737 /nfs/dbraw/zinc/22/77/37/860227737.db2.gz PPMHPKGPNUXZIR-ZDUSSCGKSA-N -1 3 389.502 3.932 20 0 GHADHM COc1cccc(Oc2ncccc2CN[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1 ZINC000904221127 860244194 /nfs/dbraw/zinc/24/41/94/860244194.db2.gz HUMGYGOZZLINDH-ROUUACIJSA-N -1 3 383.448 3.551 20 0 GHADHM CCCN(CC(F)(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602753037 860258503 /nfs/dbraw/zinc/25/85/03/860258503.db2.gz CQWAEXUNJROBLE-UHFFFAOYSA-N -1 3 391.187 3.705 20 0 GHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000904234913 860272531 /nfs/dbraw/zinc/27/25/31/860272531.db2.gz CVPPPINCKQKPDN-MGPQQGTHSA-N -1 3 392.805 3.561 20 0 GHADHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 ZINC000727835702 860286324 /nfs/dbraw/zinc/28/63/24/860286324.db2.gz VDEQTXHCOOSFGY-GFBZKKKVSA-N -1 3 398.488 3.727 20 0 GHADHM COc1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cc(OC)c1[O-] ZINC000484739432 860300322 /nfs/dbraw/zinc/30/03/22/860300322.db2.gz RRKTVONTZVJXIV-INIZCTEOSA-N -1 3 383.366 3.703 20 0 GHADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])cnn1Cc1ccccc1 ZINC000124311204 860318753 /nfs/dbraw/zinc/31/87/53/860318753.db2.gz YKVHFKOFUWVBLV-UHFFFAOYSA-N -1 3 386.249 3.960 20 0 GHADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436591502 860376526 /nfs/dbraw/zinc/37/65/26/860376526.db2.gz QLXFBQKKUSMFML-UHFFFAOYSA-N -1 3 381.350 3.677 20 0 GHADHM Cc1nc(C)c(CC(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c(=O)[n-]1 ZINC000097698124 860449249 /nfs/dbraw/zinc/44/92/49/860449249.db2.gz GFNNVHOQLGLKBE-GFCCVEGCSA-N -1 3 393.409 3.700 20 0 GHADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])sc2nc3n(c(=O)c12)CCCCC3 ZINC000174875964 860456577 /nfs/dbraw/zinc/45/65/77/860456577.db2.gz IUPLRFUFPCVCDI-UHFFFAOYSA-N -1 3 387.436 3.590 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000671634732 860529946 /nfs/dbraw/zinc/52/99/46/860529946.db2.gz KKFSHJFBPHXFQD-CEWLAPEOSA-N -1 3 397.471 3.577 20 0 GHADHM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436669706 860557744 /nfs/dbraw/zinc/55/77/44/860557744.db2.gz BIFJHSYTEQFTCM-UHFFFAOYSA-N -1 3 387.395 3.594 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000026238647 860584406 /nfs/dbraw/zinc/58/44/06/860584406.db2.gz QDJGWPRYENSUQV-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM CCC1(Cc2ccccc2)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000474663106 860594527 /nfs/dbraw/zinc/59/45/27/860594527.db2.gz QLIDZXHXFKOWMW-UHFFFAOYSA-N -1 3 395.429 3.768 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@]2(CC=CCC2)C1 ZINC000640293993 881558466 /nfs/dbraw/zinc/55/84/66/881558466.db2.gz ZVEKPSGQGJDMGY-OAHLLOKOSA-N -1 3 376.810 3.875 20 0 GHADHM CCCc1nc(C(=O)[N-]c2sc(C(=O)OCC)c(C)c2C(=O)OCC)co1 ZINC000509036595 860645051 /nfs/dbraw/zinc/64/50/51/860645051.db2.gz WPPBKBAGKICQJJ-UHFFFAOYSA-N -1 3 394.449 3.603 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)[C@@H](C)C1 ZINC000603367129 860675576 /nfs/dbraw/zinc/67/55/76/860675576.db2.gz UHHRVPLBRVQFTB-WWGRRREGSA-N -1 3 393.484 3.509 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2cccc(F)c2)CCOCC1 ZINC000098098461 860721972 /nfs/dbraw/zinc/72/19/72/860721972.db2.gz DMKRNHCTNPGCGW-UHFFFAOYSA-N -1 3 394.240 3.981 20 0 GHADHM CC[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1nc(C)cs1 ZINC000640293708 881574647 /nfs/dbraw/zinc/57/46/47/881574647.db2.gz VVJWXUOGRNNNNM-VIFPVBQESA-N -1 3 381.811 3.558 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)CCc1c(F)cccc1F)c1nc(C2CCCCC2)no1 ZINC000625046195 860774407 /nfs/dbraw/zinc/77/44/07/860774407.db2.gz KQYSTJJGFRBDMV-GFCCVEGCSA-N -1 3 399.463 3.619 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1oc2ccc(Cl)cc2c1C ZINC000474777607 860779570 /nfs/dbraw/zinc/77/95/70/860779570.db2.gz XGJMOXMMWLDDJP-UHFFFAOYSA-N -1 3 390.779 3.548 20 0 GHADHM Cc1c(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c2ccccc2n1C ZINC000555413824 860837784 /nfs/dbraw/zinc/83/77/84/860837784.db2.gz KXSJFKUGTGQSIX-CYBMUJFWSA-N -1 3 389.424 3.525 20 0 GHADHM O=S(=O)([N-]CCCCOc1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000014099293 860870540 /nfs/dbraw/zinc/87/05/40/860870540.db2.gz GVLLILGJJCMDKV-UHFFFAOYSA-N -1 3 375.824 3.756 20 0 GHADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176439147 860875598 /nfs/dbraw/zinc/87/55/98/860875598.db2.gz GUEJNEQSCHSZAU-NSHDSACASA-N -1 3 378.222 3.763 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)cc2)cc(=O)[n-]1 ZINC000555429381 860876446 /nfs/dbraw/zinc/87/64/46/860876446.db2.gz DVRMSDZPLWZXBP-MJGOQNOKSA-N -1 3 378.407 3.974 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1ccc(Br)cc1 ZINC000730204397 860951487 /nfs/dbraw/zinc/95/14/87/860951487.db2.gz SZUATQHXHCVHOW-UHFFFAOYSA-N -1 3 396.241 3.575 20 0 GHADHM CC(C)(NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(F)c(F)c1 ZINC000640294300 881603675 /nfs/dbraw/zinc/60/36/75/881603675.db2.gz CAGFIRUHAZTLGO-UHFFFAOYSA-N -1 3 396.747 3.856 20 0 GHADHM O=S(=O)([N-]CCc1nc2ccccc2n1C(F)F)c1ccc(Cl)s1 ZINC000487445352 861037994 /nfs/dbraw/zinc/03/79/94/861037994.db2.gz LNGZSCZXXKBUKH-UHFFFAOYSA-N -1 3 391.852 3.667 20 0 GHADHM CSc1ccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364489 861074905 /nfs/dbraw/zinc/07/49/05/861074905.db2.gz HKRLJXQLENQHDZ-UHFFFAOYSA-N -1 3 396.262 3.672 20 0 GHADHM C[C@@H](OC(=O)c1cccc(Br)c1[O-])c1nc(-c2cccnc2)no1 ZINC000730366943 861076993 /nfs/dbraw/zinc/07/69/93/861076993.db2.gz ZAYXKNRPEYVTCQ-SECBINFHSA-N -1 3 390.193 3.518 20 0 GHADHM CC[C@@]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)(C(=O)OC)c1ccccc1 ZINC000730421372 861104183 /nfs/dbraw/zinc/10/41/83/861104183.db2.gz VOUFJKQHBPZZEM-KQDNUWKFSA-N -1 3 393.892 3.709 20 0 GHADHM 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CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000185407252 866051359 /nfs/dbraw/zinc/05/13/59/866051359.db2.gz OYIVSZHBWBLUFX-AZUAARDMSA-N -1 3 387.505 3.613 20 0 GHADHM C[C@H]1CC2(CCC2)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444399517 866063944 /nfs/dbraw/zinc/06/39/44/866063944.db2.gz XGQJCAWIJYABEV-NSHDSACASA-N -1 3 375.266 3.695 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000623172509 866067365 /nfs/dbraw/zinc/06/73/65/866067365.db2.gz MRONXZSKGYQHMY-GOSISDBHSA-N -1 3 394.515 3.724 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)c(C)c1 ZINC000029047749 866118371 /nfs/dbraw/zinc/11/83/71/866118371.db2.gz MLXZOJRLFLMFEK-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM O=C(OCCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740954329 866121364 /nfs/dbraw/zinc/12/13/64/866121364.db2.gz DCDUVINONXZHLI-SFHVURJKSA-N -1 3 387.863 3.826 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000793104632 881944112 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GHADHM CC(C)CSCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000534405728 866729064 /nfs/dbraw/zinc/72/90/64/866729064.db2.gz QLCQIHNAJWZFMD-UHFFFAOYSA-N -1 3 384.336 3.646 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000857103613 882020035 /nfs/dbraw/zinc/02/00/35/882020035.db2.gz LOHLTGJVNMOLSS-INIZCTEOSA-N -1 3 387.304 3.903 20 0 GHADHM COCCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(C)c1 ZINC000553191090 866933577 /nfs/dbraw/zinc/93/35/77/866933577.db2.gz ALHGIOPQMOCYMQ-UHFFFAOYSA-N -1 3 384.407 3.562 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3nn(-c4ccccc4Cl)cc3C)n[n-]2)o1 ZINC000153582689 866967051 /nfs/dbraw/zinc/96/70/51/866967051.db2.gz PIKDEVUYLDOOQH-UHFFFAOYSA-N -1 3 382.811 3.773 20 0 GHADHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1C ZINC000610194416 882035729 /nfs/dbraw/zinc/03/57/29/882035729.db2.gz DAVVIXAYCWBNPT-UHFFFAOYSA-N -1 3 377.462 3.678 20 0 GHADHM CCCNC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000523295326 867008697 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C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000115312849 882332389 /nfs/dbraw/zinc/33/23/89/882332389.db2.gz LPBPADRLGOJBQU-RUZDIDTESA-N -1 3 393.530 3.687 20 0 GHADHM O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000524907143 869741807 /nfs/dbraw/zinc/74/18/07/869741807.db2.gz ZNVKCXHSEBEFNA-UHFFFAOYSA-N -1 3 380.469 3.998 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccc(Cl)c1 ZINC000462662961 869863246 /nfs/dbraw/zinc/86/32/46/869863246.db2.gz PREWJCYVFDEWBJ-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C12CCCC2 ZINC000462678302 869888376 /nfs/dbraw/zinc/88/83/76/869888376.db2.gz NGLKWURVOYZQHA-WDEREUQCSA-N -1 3 394.356 3.527 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)Oc1ccccc1F ZINC000462701427 869926588 /nfs/dbraw/zinc/92/65/88/869926588.db2.gz NYCBPDQXSQYMPK-SNVBAGLBSA-N -1 3 395.349 3.729 20 0 GHADHM O=S(=O)(Cc1ccon1)[N-][C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000462703795 869930253 /nfs/dbraw/zinc/93/02/53/869930253.db2.gz KRKQRICVGXYISR-QGZVFWFLSA-N -1 3 398.818 3.815 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Oc1ccccc1F ZINC000462706557 869935724 /nfs/dbraw/zinc/93/57/24/869935724.db2.gz SEXUNXZGISMHAO-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM CC(C)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000446516906 869945322 /nfs/dbraw/zinc/94/53/22/869945322.db2.gz ARLBOSZSGWFMFP-MRXNPFEDSA-N -1 3 390.480 3.745 20 0 GHADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000508570360 870114246 /nfs/dbraw/zinc/11/42/46/870114246.db2.gz QTNPHESULWRLKI-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM CC(=O)Nc1c(C)cccc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000011812385 882379517 /nfs/dbraw/zinc/37/95/17/882379517.db2.gz HYBFXIMIMYZMTO-NSHDSACASA-N -1 3 399.472 3.786 20 0 GHADHM O=C(CCC1CCOCC1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000525239481 870232899 /nfs/dbraw/zinc/23/28/99/870232899.db2.gz SOFINJRSNYHHSE-UHFFFAOYSA-N -1 3 396.260 3.546 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)cc3nc(C)c(C)nc32)c([O-])c1 ZINC000540030101 870247396 /nfs/dbraw/zinc/24/73/96/870247396.db2.gz XUYFLGCHQZFHQK-UHFFFAOYSA-N -1 3 383.379 3.520 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H](C)c3ccc(OC)cc3)nc2)n1 ZINC000462886823 870251658 /nfs/dbraw/zinc/25/16/58/870251658.db2.gz VFYHZGSLXOCNKN-OAHLLOKOSA-N -1 3 378.476 3.843 20 0 GHADHM CC(C)(C)OC(=O)N=c1ccn(C(=O)c2ccc(C(C)(C)C)cc2[O-])cc1N ZINC001192313647 870280081 /nfs/dbraw/zinc/28/00/81/870280081.db2.gz GGALFDJSDBUSQX-UHFFFAOYSA-N -1 3 385.464 3.598 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]3(C)OCCc4ccccc43)c2)n1 ZINC000888263809 870456008 /nfs/dbraw/zinc/45/60/08/870456008.db2.gz GDYKSWWHJNYZCG-HSZRJFAPSA-N -1 3 389.455 3.838 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)c2c(F)ccc(O)c2F)c1-c1ccccc1 ZINC001192525831 870486565 /nfs/dbraw/zinc/48/65/65/870486565.db2.gz AGSHMJZTCHBJTL-UHFFFAOYSA-N -1 3 388.326 3.754 20 0 GHADHM O=S(=O)([N-][C@H](CCc1ccccc1)C(F)F)c1c[nH]c2cccc(F)c21 ZINC001192583241 870514293 /nfs/dbraw/zinc/51/42/93/870514293.db2.gz YWBUYQKJLHLNSN-OAHLLOKOSA-N -1 3 382.407 3.852 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000537639684 882421854 /nfs/dbraw/zinc/42/18/54/882421854.db2.gz FTDQPNVUPAJJRB-IBGZPJMESA-N -1 3 394.471 3.523 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(OCCc3ccccc3)c2)c(=O)[n-]1 ZINC000122121935 882424749 /nfs/dbraw/zinc/42/47/49/882424749.db2.gz JJJAUDJLLJEWPX-UHFFFAOYSA-N -1 3 391.471 3.580 20 0 GHADHM CCOC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000920883978 882437025 /nfs/dbraw/zinc/43/70/25/882437025.db2.gz GOONITUYRBOESN-MRXNPFEDSA-N -1 3 383.341 3.867 20 0 GHADHM CC1(C)CCC[C@H]1CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001192855641 870734626 /nfs/dbraw/zinc/73/46/26/870734626.db2.gz BCPLVEKQPDCYPD-JTQLQIEISA-N -1 3 395.750 3.992 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCCC1)c1cnccc1Cl ZINC001192911036 870764691 /nfs/dbraw/zinc/76/46/91/870764691.db2.gz DDILLSNBXXSMOA-UHFFFAOYSA-N -1 3 379.913 3.594 20 0 GHADHM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000249465187 870838816 /nfs/dbraw/zinc/83/88/16/870838816.db2.gz GMSFUGJQBZIHSV-QKNQBKEWSA-N -1 3 392.499 3.524 20 0 GHADHM CC(C)(C)OC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC001193013933 870844982 /nfs/dbraw/zinc/84/49/82/870844982.db2.gz BDFIYNBXMYSWQZ-UHFFFAOYSA-N -1 3 394.320 3.784 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000447043696 870901064 /nfs/dbraw/zinc/90/10/64/870901064.db2.gz CUTSGUIZOITJEQ-IBGZPJMESA-N -1 3 377.485 3.630 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001193150221 870920146 /nfs/dbraw/zinc/92/01/46/870920146.db2.gz MEZCYXWMHSJFOT-AWEZNQCLSA-N -1 3 375.266 3.645 20 0 GHADHM O=C(c1ccc(Br)c(=O)[n-]1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001193153127 870922816 /nfs/dbraw/zinc/92/28/16/870922816.db2.gz OFHPJLFPDOANJB-LBPRGKRZSA-N -1 3 397.219 3.815 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3Cl)c(F)c1F ZINC001193193940 870935775 /nfs/dbraw/zinc/93/57/75/870935775.db2.gz JHHRITSJTKXQFM-UHFFFAOYSA-N -1 3 384.835 3.929 20 0 GHADHM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(-c3ccccc3)nc2C)cc1 ZINC000181421632 870994178 /nfs/dbraw/zinc/99/41/78/870994178.db2.gz ISMOSOUWAUTXIL-KRWDZBQOSA-N -1 3 375.384 3.620 20 0 GHADHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)s1 ZINC000463161048 871004519 /nfs/dbraw/zinc/00/45/19/871004519.db2.gz MEHKTEVGRLFICW-UHFFFAOYSA-N -1 3 397.243 3.879 20 0 GHADHM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000461802327 871030671 /nfs/dbraw/zinc/03/06/71/871030671.db2.gz JWEYYUIUGWTGRH-JKSUJKDBSA-N -1 3 390.505 3.653 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000509641596 871056223 /nfs/dbraw/zinc/05/62/23/871056223.db2.gz YAPRIJADAXIJJR-HUUCEWRRSA-N -1 3 379.382 3.942 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)n1 ZINC000540341477 871067362 /nfs/dbraw/zinc/06/73/62/871067362.db2.gz QQFBFAUEBTVDAU-OAQYLSRUSA-N -1 3 393.487 3.835 20 0 GHADHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000181514988 871127492 /nfs/dbraw/zinc/12/74/92/871127492.db2.gz AJVAFWOIDJHXJM-CQSZACIVSA-N -1 3 378.404 3.569 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)[C@@H]1CCCCO1 ZINC001193628922 871197921 /nfs/dbraw/zinc/19/79/21/871197921.db2.gz TXGWMILTKXMDDR-NSHDSACASA-N -1 3 396.372 3.693 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)nc1)c1ccc([O-])cc1C(F)(F)F ZINC001193747893 871287907 /nfs/dbraw/zinc/28/79/07/871287907.db2.gz NOFVKTIMJBTABU-UHFFFAOYSA-N -1 3 378.272 3.797 20 0 GHADHM CCc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747140 871288890 /nfs/dbraw/zinc/28/88/90/871288890.db2.gz HXFTVFCASUTGBK-UHFFFAOYSA-N -1 3 387.379 3.629 20 0 GHADHM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000236674630 882495622 /nfs/dbraw/zinc/49/56/22/882495622.db2.gz YSFGAQVBOHPMLG-FQEVSTJZSA-N -1 3 380.488 3.588 20 0 GHADHM COc1cccc2c1SC[C@@H](NC(=O)c1ccc([O-])cc1C(F)(F)F)C2 ZINC001193759058 871298161 /nfs/dbraw/zinc/29/81/61/871298161.db2.gz KZIYABRHHPIITG-NSHDSACASA-N -1 3 383.391 3.866 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001193934872 871377194 /nfs/dbraw/zinc/37/71/94/871377194.db2.gz POBZFDBETOTRDF-UHFFFAOYSA-N -1 3 381.429 3.556 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1c(F)cc(F)c(F)c1Br ZINC001193935744 871377621 /nfs/dbraw/zinc/37/76/21/871377621.db2.gz BLFZKGHOVVTENL-UHFFFAOYSA-N -1 3 376.128 3.838 20 0 GHADHM CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@@H]1CCCCO1 ZINC000234319166 871378335 /nfs/dbraw/zinc/37/83/35/871378335.db2.gz GWRJCTJTVXBQEB-NSHDSACASA-N -1 3 393.119 3.918 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccnn1-c1cccc(Br)c1 ZINC001193922637 871395421 /nfs/dbraw/zinc/39/54/21/871395421.db2.gz MHOHELVQPFLEDK-UHFFFAOYSA-N -1 3 388.221 3.607 20 0 GHADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1Cl ZINC000181729312 871432406 /nfs/dbraw/zinc/43/24/06/871432406.db2.gz WUSAYIQHERRZQT-UHFFFAOYSA-N -1 3 384.667 3.925 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000618280419 871466423 /nfs/dbraw/zinc/46/64/23/871466423.db2.gz PIGQDSJQDKMFQQ-UHFFFAOYSA-N -1 3 396.535 3.748 20 0 GHADHM CN1C(=O)C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000122341971 882513749 /nfs/dbraw/zinc/51/37/49/882513749.db2.gz DBSAMXSOSQMZOO-SUMWQHHRSA-N -1 3 396.340 3.708 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-][C@@H](Cc1ccccc1)c1nccs1 ZINC001194119541 871487972 /nfs/dbraw/zinc/48/79/72/871487972.db2.gz BWCBJGUWIKYLSA-INIZCTEOSA-N -1 3 399.497 3.688 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000122341558 882514118 /nfs/dbraw/zinc/51/41/18/882514118.db2.gz DBSAMXSOSQMZOO-CXAGYDPISA-N -1 3 396.340 3.708 20 0 GHADHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000804325040 871526811 /nfs/dbraw/zinc/52/68/11/871526811.db2.gz OFMGYPYKPODWKM-KDOFPFPSSA-N -1 3 377.444 3.957 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001194238594 871577057 /nfs/dbraw/zinc/57/70/57/871577057.db2.gz KEGHGLHHKDVAEG-UHFFFAOYSA-N -1 3 379.338 3.675 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)cc(Cl)n3)c2)n1 ZINC000181888512 871588854 /nfs/dbraw/zinc/58/88/54/871588854.db2.gz WEZJEQKVEXEYHN-UHFFFAOYSA-N -1 3 389.242 3.953 20 0 GHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cnn(-c2ccc(Cl)cc2)n1 ZINC000776962402 882536894 /nfs/dbraw/zinc/53/68/94/882536894.db2.gz MHDSEWLVDSGPAO-UHFFFAOYSA-N -1 3 391.243 3.831 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1Cl ZINC001194456623 871698219 /nfs/dbraw/zinc/69/82/19/871698219.db2.gz ZWIMKDONLPVPJJ-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c(Cl)n1 ZINC001194458963 871700183 /nfs/dbraw/zinc/70/01/83/871700183.db2.gz SRNPQABTOXMGLZ-UHFFFAOYSA-N -1 3 384.244 3.746 20 0 GHADHM CS(=O)(=O)c1cc(Br)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212594027 871807062 /nfs/dbraw/zinc/80/70/62/871807062.db2.gz PWNCNGATHMHHNX-UHFFFAOYSA-N -1 3 376.659 3.955 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525966958 871815008 /nfs/dbraw/zinc/81/50/08/871815008.db2.gz HBOSWLWGANTTJR-QRWLVFNGSA-N -1 3 377.444 3.756 20 0 GHADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1cc2ccccc2o1 ZINC000133895110 882553675 /nfs/dbraw/zinc/55/36/75/882553675.db2.gz XWYBIUXSFPHABD-OAHLLOKOSA-N -1 3 376.503 3.610 20 0 GHADHM Cc1sc(CC(=O)NCc2ccc([O-])c(Br)c2)nc1C(C)C ZINC000447582507 871881438 /nfs/dbraw/zinc/88/14/38/871881438.db2.gz WSVSDLQQXOBGNE-UHFFFAOYSA-N -1 3 383.311 3.902 20 0 GHADHM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000794033122 882561760 /nfs/dbraw/zinc/56/17/60/882561760.db2.gz KUKAEYHFROQBFZ-UHFFFAOYSA-N -1 3 389.260 3.674 20 0 GHADHM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194770311 871952362 /nfs/dbraw/zinc/95/23/62/871952362.db2.gz FIUHBTIRHRHHOK-UHFFFAOYSA-N -1 3 380.351 3.508 20 0 GHADHM O=S(=O)([N-]C[C@@]12C[C@@H]1CCCC2)c1cccc(Cl)c1Br ZINC001194822263 871972115 /nfs/dbraw/zinc/97/21/15/871972115.db2.gz SFIFVNSILZCMBO-IINYFYTJSA-N -1 3 378.719 3.961 20 0 GHADHM CC(=O)c1cccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1[O-] ZINC000552069486 871976459 /nfs/dbraw/zinc/97/64/59/871976459.db2.gz WHZAHHJAWZNSFH-UHFFFAOYSA-N -1 3 377.322 3.602 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)c1cccc2ccccc21 ZINC001194896834 872018297 /nfs/dbraw/zinc/01/82/97/872018297.db2.gz PBJKJIQZIAYTDW-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM CC(C)C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC001194991531 872093947 /nfs/dbraw/zinc/09/39/47/872093947.db2.gz KRMRMWZJJRLKRC-SFHVURJKSA-N -1 3 378.469 3.714 20 0 GHADHM O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000526112864 872146779 /nfs/dbraw/zinc/14/67/79/872146779.db2.gz XYLPBVNTEWEFNG-UHFFFAOYSA-N -1 3 392.806 3.511 20 0 GHADHM CC[C@@](C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000618960375 872175250 /nfs/dbraw/zinc/17/52/50/872175250.db2.gz JMZZKGMHLXUHLQ-NZQKXSOJSA-N -1 3 380.488 3.948 20 0 GHADHM CC(C)(C)c1ccc(CN2CCN(C(=O)c3ccc(Cl)[n-]c3=O)CC2)cc1 ZINC001195135376 872192163 /nfs/dbraw/zinc/19/21/63/872192163.db2.gz VQFOHTDKEJOSNU-UHFFFAOYSA-N -1 3 387.911 3.696 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000447735980 872223580 /nfs/dbraw/zinc/22/35/80/872223580.db2.gz IMVUFFJCRHDBLX-UHFFFAOYSA-N -1 3 394.496 3.768 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001195172598 872232158 /nfs/dbraw/zinc/23/21/58/872232158.db2.gz NABADVKNZLHQFO-UHFFFAOYSA-N -1 3 386.330 3.781 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001195172598 872232175 /nfs/dbraw/zinc/23/21/75/872232175.db2.gz NABADVKNZLHQFO-UHFFFAOYSA-N -1 3 386.330 3.781 20 0 GHADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000150717748 872291069 /nfs/dbraw/zinc/29/10/69/872291069.db2.gz HJWYYLGUUJOHKQ-UHFFFAOYSA-N -1 3 394.485 3.760 20 0 GHADHM COc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)ccc1C(F)(F)F ZINC000447787339 872298973 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Cc1nc(CC(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)s1 ZINC000767560181 872616041 /nfs/dbraw/zinc/61/60/41/872616041.db2.gz SLJCSZPCVDXSNS-QMMMGPOBSA-N -1 3 377.491 3.934 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)[n-]1 ZINC000619446507 872635513 /nfs/dbraw/zinc/63/55/13/872635513.db2.gz MNEGUCIYTXUKEE-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c[n-]1 ZINC000619446507 872635517 /nfs/dbraw/zinc/63/55/17/872635517.db2.gz MNEGUCIYTXUKEE-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2c(C)cc(Br)cc2Cl)[n-]1 ZINC000619449367 872636505 /nfs/dbraw/zinc/63/65/05/872636505.db2.gz DRUUNXSOSKENBQ-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2c(C)cc(Br)cc2Cl)c[n-]1 ZINC000619449367 872636515 /nfs/dbraw/zinc/63/65/15/872636515.db2.gz DRUUNXSOSKENBQ-UHFFFAOYSA-N -1 3 386.633 3.563 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)[n-]1 ZINC000619449275 872636825 /nfs/dbraw/zinc/63/68/25/872636825.db2.gz ZLZYGQMTNOZZQJ-UHFFFAOYSA-N -1 3 391.427 3.855 20 0 GHADHM CCOC(=O)c1nc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c[n-]1 ZINC000619449275 872636831 /nfs/dbraw/zinc/63/68/31/872636831.db2.gz ZLZYGQMTNOZZQJ-UHFFFAOYSA-N -1 3 391.427 3.855 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)[n-]1 ZINC000619449089 872637824 /nfs/dbraw/zinc/63/78/24/872637824.db2.gz RBXMUSZDCFIBSB-UHFFFAOYSA-N -1 3 395.463 3.623 20 0 GHADHM CCOC(=O)c1nc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c[n-]1 ZINC000619449089 872637836 /nfs/dbraw/zinc/63/78/36/872637836.db2.gz RBXMUSZDCFIBSB-UHFFFAOYSA-N -1 3 395.463 3.623 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000122628432 882640241 /nfs/dbraw/zinc/64/02/41/882640241.db2.gz UQPKNXHENZXRFQ-CYBMUJFWSA-N -1 3 388.489 3.894 20 0 GHADHM Fc1ccc(-c2csc([N-]c3ncnc4c3cnn4-c3ncccn3)n2)cc1 ZINC000163094690 872655499 /nfs/dbraw/zinc/65/54/99/872655499.db2.gz YRWWQLHHURQYNI-UHFFFAOYSA-N -1 3 390.407 3.612 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001195783285 872659215 /nfs/dbraw/zinc/65/92/15/872659215.db2.gz MHFGPRYSXHICIS-UHFFFAOYSA-N -1 3 385.407 3.979 20 0 GHADHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H]1c1cccc(Br)c1 ZINC001195786394 872660360 /nfs/dbraw/zinc/66/03/60/872660360.db2.gz BSDQLOFLEWXGIF-INIZCTEOSA-N -1 3 382.279 3.681 20 0 GHADHM CC(C)(C)Oc1ccc([C@H]2CCN(S(=O)(=O)c3ccc([O-])cc3)C2)cc1 ZINC001195793407 872667320 /nfs/dbraw/zinc/66/73/20/872667320.db2.gz DINFYNISVZEKHC-INIZCTEOSA-N -1 3 375.490 3.748 20 0 GHADHM CC(C)(C)Oc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc([O-])cc3)C2)cc1 ZINC001195793408 872667411 /nfs/dbraw/zinc/66/74/11/872667411.db2.gz DINFYNISVZEKHC-MRXNPFEDSA-N -1 3 375.490 3.748 20 0 GHADHM CCO[C@H]1C[C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C12CCCCC2 ZINC000182734117 872736504 /nfs/dbraw/zinc/73/65/04/872736504.db2.gz PHQIPWPVUXJAHD-MSOLQXFVSA-N -1 3 382.526 3.607 20 0 GHADHM O=C1[N-]C(=O)/C(=C/NCc2ccc(Br)cc2Cl)c2ccccc21 ZINC000921164443 882646750 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O=S(=O)([N-][C@H](c1cncc(C(F)(F)F)c1)C1CC1)c1ccc(Cl)cn1 ZINC001196266809 872979249 /nfs/dbraw/zinc/97/92/49/872979249.db2.gz UDFQOUYCQZAQSL-AWEZNQCLSA-N -1 3 391.802 3.578 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1)c1ccc(Cl)cn1 ZINC001196272649 873009689 /nfs/dbraw/zinc/00/96/89/873009689.db2.gz JBOGCIHMEXUYQX-KRWDZBQOSA-N -1 3 380.897 3.571 20 0 GHADHM O=C(Nc1csc2cnccc12)c1cc([O-])cc(I)c1 ZINC001196398988 873076593 /nfs/dbraw/zinc/07/65/93/873076593.db2.gz NKJBSOVQBPYISL-UHFFFAOYSA-N -1 3 396.209 3.859 20 0 GHADHM Cn1cc(-c2ccc(F)c(C(=O)Nc3cc(Br)ccc3[O-])c2)cn1 ZINC000541166883 873077183 /nfs/dbraw/zinc/07/71/83/873077183.db2.gz YUCFMECZYKEITA-UHFFFAOYSA-N -1 3 390.212 3.947 20 0 GHADHM C[C@@H](CN=c1cc(NC[C@@H](C)CC(F)(F)F)n2[n-]cnc2n1)CC(F)(F)F ZINC000413542258 873078771 /nfs/dbraw/zinc/07/87/71/873078771.db2.gz WPJRPFWDVQVUHQ-ZJUUUORDSA-N -1 3 398.355 3.547 20 0 GHADHM CCCCc1nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(C(=O)OCC)[n-]1 ZINC000191962548 882684378 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GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2Br)c1 ZINC001196785742 873359113 /nfs/dbraw/zinc/35/91/13/873359113.db2.gz ZEMSPCXFCFWCMG-JTQLQIEISA-N -1 3 388.258 3.636 20 0 GHADHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cc1 ZINC000464185666 873373464 /nfs/dbraw/zinc/37/34/64/873373464.db2.gz MTCMENXHDCHCQI-UHFFFAOYSA-N -1 3 399.871 3.570 20 0 GHADHM O=c1[n-][nH]c(=O)c2cccc(NC(=S)Nc3cccc(Br)c3)c12 ZINC001197005625 873524079 /nfs/dbraw/zinc/52/40/79/873524079.db2.gz ORVQTNGZWVHRKB-UHFFFAOYSA-N -1 3 391.250 3.612 20 0 GHADHM O=C([N-]CC[C@H]1CN(C[C@@H](O)c2cccc(F)c2)c2ccccc21)C(F)(F)F ZINC001197060169 873569224 /nfs/dbraw/zinc/56/92/24/873569224.db2.gz QBNPEVGPKLAZQZ-KBXCAEBGSA-N -1 3 396.384 3.532 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC001197106297 873603097 /nfs/dbraw/zinc/60/30/97/873603097.db2.gz IIXSDNXAHGVRKI-MDWZMJQESA-N -1 3 389.473 3.853 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC(C)(C)C ZINC001212252802 882743345 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COC(=O)c1ccc(C2CCCCC2)c([N-]S(=O)(=O)Cc2ccccn2)c1 ZINC001197835183 874064089 /nfs/dbraw/zinc/06/40/89/874064089.db2.gz PCAZOOIUUMJLTG-UHFFFAOYSA-N -1 3 388.489 3.858 20 0 GHADHM O=C(Nc1nc(CN2CCCCC2)cs1)c1cc([O-])cc(Br)c1 ZINC000528142133 874068861 /nfs/dbraw/zinc/06/88/61/874068861.db2.gz VMPIACZPKKFHDP-UHFFFAOYSA-N -1 3 396.310 3.849 20 0 GHADHM CC(C)(C)OC(=O)n1ccc2ccc([N-]S(=O)(=O)Cc3ccccn3)cc21 ZINC001197822041 874078987 /nfs/dbraw/zinc/07/89/87/874078987.db2.gz RWJUAOBZCZFEFU-UHFFFAOYSA-N -1 3 387.461 3.761 20 0 GHADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000448917706 874206093 /nfs/dbraw/zinc/20/60/93/874206093.db2.gz LWFIONRJQFHCTM-JQWIXIFHSA-N -1 3 378.416 3.842 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)n1 ZINC001198247217 874309554 /nfs/dbraw/zinc/30/95/54/874309554.db2.gz WKYHRJCJVABPBU-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM O=S(=O)([N-][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)c1cccc(Cl)n1 ZINC001198259298 874318308 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3.969 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cnc4ccccc4c3)c2)n1 ZINC000118878136 874698548 /nfs/dbraw/zinc/69/85/48/874698548.db2.gz SAMIYHYKJKYHSZ-UHFFFAOYSA-N -1 3 384.439 3.729 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Br)c(C)c1 ZINC001198912542 874704041 /nfs/dbraw/zinc/70/40/41/874704041.db2.gz UZYFKNXFBHOWIY-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C(F)F)c1F ZINC000528563757 874712144 /nfs/dbraw/zinc/71/21/44/874712144.db2.gz KYDCBCWGVLMWBX-UHFFFAOYSA-N -1 3 392.377 3.504 20 0 GHADHM Cc1cc(Br)ncc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000804416331 882855378 /nfs/dbraw/zinc/85/53/78/882855378.db2.gz CVUHTPQJQYCHFB-UHFFFAOYSA-N -1 3 390.212 3.694 20 0 GHADHM COC(=O)c1ccccc1NC(=S)Nc1c([O-])cccc1Br ZINC001198979724 874738523 /nfs/dbraw/zinc/73/85/23/874738523.db2.gz IRAUBXCZXYWXHI-UHFFFAOYSA-N -1 3 381.251 3.750 20 0 GHADHM O=C(OCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc(Cl)c1[O-] ZINC000775931769 874791600 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Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129612571 883062266 /nfs/dbraw/zinc/06/22/66/883062266.db2.gz IGCINSNGXSNJHM-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM CC1(N2CCOCC2)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000529911508 876836647 /nfs/dbraw/zinc/83/66/47/876836647.db2.gz PXLJFXNPDUMBEE-UHFFFAOYSA-N -1 3 388.895 3.526 20 0 GHADHM COc1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)ccc1OC(C)C ZINC000786759238 876913441 /nfs/dbraw/zinc/91/34/41/876913441.db2.gz YMEARLDDJJNCSH-UHFFFAOYSA-N -1 3 375.440 3.966 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000193461435 876915526 /nfs/dbraw/zinc/91/55/26/876915526.db2.gz BJWBAQJIVDKJEY-UHFFFAOYSA-N -1 3 399.834 3.867 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000850575849 877043088 /nfs/dbraw/zinc/04/30/88/877043088.db2.gz DCBYHCFVUYPEAI-SFHVURJKSA-N -1 3 398.507 3.838 20 0 GHADHM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(F)(F)F ZINC000174953863 883091329 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C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787302199 877329394 /nfs/dbraw/zinc/32/93/94/877329394.db2.gz HHFRXCMZCZVENI-YOEHRIQHSA-N -1 3 394.487 3.616 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787306740 877332851 /nfs/dbraw/zinc/33/28/51/877332851.db2.gz GRABNQJCQASJOL-MRXNPFEDSA-N -1 3 394.487 3.760 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(F)(F)C(F)F)cc2)cc1 ZINC000175667942 877440831 /nfs/dbraw/zinc/44/08/31/877440831.db2.gz YENJSURHBKNGEN-UHFFFAOYSA-N -1 3 390.358 3.635 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Cl ZINC000137212942 877521635 /nfs/dbraw/zinc/52/16/35/877521635.db2.gz PRGPEEDUPOEPEM-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C(OC/C=C/c1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787639606 877526014 /nfs/dbraw/zinc/52/60/14/877526014.db2.gz FAPRHVNCVKFNAJ-WRFKIARRSA-N -1 3 385.847 3.907 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000080610255 877534958 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20 0 GHADHM Cc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1NS(C)(=O)=O ZINC000788286465 877995403 /nfs/dbraw/zinc/99/54/03/877995403.db2.gz DDNLTSMOLCFOSI-UHFFFAOYSA-N -1 3 376.459 3.539 20 0 GHADHM Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000068178454 878050489 /nfs/dbraw/zinc/05/04/89/878050489.db2.gz IDRDYCAAJXZIDR-UHFFFAOYSA-N -1 3 394.431 3.585 20 0 GHADHM CC(C)OCCS(=O)(=O)[N-]c1cc(Br)cc(C(F)(F)F)c1 ZINC000176471318 878274733 /nfs/dbraw/zinc/27/47/33/878274733.db2.gz OVFOQPCQYSPEIO-UHFFFAOYSA-N -1 3 390.221 3.635 20 0 GHADHM O=S(=O)([N-]Cc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1Cl ZINC000616017666 878427905 /nfs/dbraw/zinc/42/79/05/878427905.db2.gz MGYHYOLYWYAAPM-UHFFFAOYSA-N -1 3 382.272 3.658 20 0 GHADHM CSc1nc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)n[n-]1 ZINC000265956319 878451196 /nfs/dbraw/zinc/45/11/96/878451196.db2.gz WZULIXNUHSPHBW-UHFFFAOYSA-N -1 3 383.861 3.779 20 0 GHADHM C[C@H](c1ccccn1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672388 878508736 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20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000460935398 878856076 /nfs/dbraw/zinc/85/60/76/878856076.db2.gz VQFDRPDGARLIKE-UHFFFAOYSA-N -1 3 376.425 3.692 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(O[C@@H]4CCOC4)cc3)c2)n1 ZINC000789434473 878970612 /nfs/dbraw/zinc/97/06/12/878970612.db2.gz NLACRUBSENZPHP-LJQANCHMSA-N -1 3 392.411 3.545 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCc2ccccc21 ZINC000178268415 879065391 /nfs/dbraw/zinc/06/53/91/879065391.db2.gz HSTNZKOIUUUIIK-MRXNPFEDSA-N -1 3 375.266 3.984 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)s1 ZINC000616827094 879134588 /nfs/dbraw/zinc/13/45/88/879134588.db2.gz ZCUFNADJKAUSOO-INIZCTEOSA-N -1 3 382.489 3.605 20 0 GHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000464358208 879213523 /nfs/dbraw/zinc/21/35/23/879213523.db2.gz FWPAIBVZXFQIJH-ZCFIWIBFSA-N -1 3 380.613 3.722 20 0 GHADHM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1nnc2ccccc2c1[O-] ZINC000111565081 879274229 /nfs/dbraw/zinc/27/42/29/879274229.db2.gz YPYXLHYLXUBRHU-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cn1 ZINC000789898698 879345879 /nfs/dbraw/zinc/34/58/79/879345879.db2.gz YIBOTAOAOLZQRQ-ZDUSSCGKSA-N -1 3 377.466 3.796 20 0 GHADHM O=C(CCc1ccoc1)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000531234259 879374483 /nfs/dbraw/zinc/37/44/83/879374483.db2.gz SXCICZBLAHOWEO-UHFFFAOYSA-N -1 3 378.201 3.565 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OC ZINC000617217326 879489010 /nfs/dbraw/zinc/48/90/10/879489010.db2.gz KZDGLMXEIVFKMT-UHFFFAOYSA-N -1 3 386.832 3.502 20 0 GHADHM Cc1nc(C)c(CCC(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)c(=O)[n-]1 ZINC000285837632 912465011 /nfs/dbraw/zinc/46/50/11/912465011.db2.gz JQGAXWOQNMUXSS-SFHVURJKSA-N -1 3 375.900 3.941 20 0 GHADHM O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1c([O-])cc(Cl)cc1Cl ZINC000531355200 879647133 /nfs/dbraw/zinc/64/71/33/879647133.db2.gz RJKKLWRBPMKIDX-UHFFFAOYSA-N -1 3 381.194 3.553 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(F)F ZINC000914373826 879747900 /nfs/dbraw/zinc/74/79/00/879747900.db2.gz JNAIHBSBWNCNQT-UHFFFAOYSA-N -1 3 387.224 3.702 20 0 GHADHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cccc(Cl)c1Br ZINC000493943858 879754697 /nfs/dbraw/zinc/75/46/97/879754697.db2.gz FWILAVRZOXDAAR-NSHDSACASA-N -1 3 396.734 3.730 20 0 GHADHM CO[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc(O)cc1 ZINC000493965201 879780894 /nfs/dbraw/zinc/78/08/94/879780894.db2.gz NELVQPUCBUSLFX-KRWDZBQOSA-N -1 3 392.242 3.837 20 0 GHADHM Cc1nnc(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2)o1 ZINC000152836218 879787370 /nfs/dbraw/zinc/78/73/70/879787370.db2.gz AJPODAUDQNIGBQ-UHFFFAOYSA-N -1 3 378.363 3.586 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000854471877 879834214 /nfs/dbraw/zinc/83/42/14/879834214.db2.gz WUPDWJBLJYIXBQ-AWEZNQCLSA-N -1 3 389.320 3.656 20 0 GHADHM CCCN1C[C@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CC1=O ZINC000643145008 912515297 /nfs/dbraw/zinc/51/52/97/912515297.db2.gz QNCXANBBNSATMW-QGZVFWFLSA-N -1 3 377.444 3.759 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC(c2ccnc3ccccc32)CC1 ZINC000854758441 880045980 /nfs/dbraw/zinc/04/59/80/880045980.db2.gz XDKFICWFWGAGKP-UHFFFAOYSA-N -1 3 376.412 3.689 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000855042629 880239129 /nfs/dbraw/zinc/23/91/29/880239129.db2.gz RMKVDQUUPFMTQQ-CABCVRRESA-N -1 3 380.872 3.611 20 0 GHADHM O=S(=O)([N-]CCCc1ccc(O)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC000509481443 880239254 /nfs/dbraw/zinc/23/92/54/880239254.db2.gz UBYYVLXEHDUIRF-UHFFFAOYSA-N -1 3 393.814 3.976 20 0 GHADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CO2 ZINC000531652728 880270520 /nfs/dbraw/zinc/27/05/20/880270520.db2.gz FTKNWNCQNMXVJA-SFHVURJKSA-N -1 3 376.416 3.721 20 0 GHADHM Cc1ccc(C(=O)N2CCC(NC(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC000791347257 880363293 /nfs/dbraw/zinc/36/32/93/880363293.db2.gz IYBYKGXDCSFFGK-UHFFFAOYSA-N -1 3 394.496 3.950 20 0 GHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000791365680 880374360 /nfs/dbraw/zinc/37/43/60/880374360.db2.gz BUJBELLPLGBCMF-KRWDZBQOSA-N -1 3 380.469 3.875 20 0 GHADHM COC(CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F)OC ZINC000791411053 880392419 /nfs/dbraw/zinc/39/24/19/880392419.db2.gz HRHMRCHANQLKKT-UHFFFAOYSA-N -1 3 381.897 3.573 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000184960471 880431360 /nfs/dbraw/zinc/43/13/60/880431360.db2.gz NMTUFLANENFKPE-MRXNPFEDSA-N -1 3 388.533 3.994 20 0 GHADHM CC(C)Cc1nsc([N-]C(=O)c2cc(Br)ncc2Cl)n1 ZINC000855706763 880689288 /nfs/dbraw/zinc/68/92/88/880689288.db2.gz UZBLYUFNGKSKTF-UHFFFAOYSA-N -1 3 375.679 3.800 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)nc21 ZINC000185992489 880752676 /nfs/dbraw/zinc/75/26/76/880752676.db2.gz DWGJHEIFMOSLHD-QWRGUYRKSA-N -1 3 389.333 3.509 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc([O-])cc(F)c1 ZINC000186161519 880807471 /nfs/dbraw/zinc/80/74/71/880807471.db2.gz QJQYZCCBIMAOIN-UHFFFAOYSA-N -1 3 381.245 3.673 20 0 GHADHM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000855846535 880812790 /nfs/dbraw/zinc/81/27/90/880812790.db2.gz FDESGFJRVWFCDN-KRWDZBQOSA-N -1 3 397.862 3.981 20 0 GHADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000531962544 880827241 /nfs/dbraw/zinc/82/72/41/880827241.db2.gz XDZSIEBSNNRNDH-UHFFFAOYSA-N -1 3 391.471 3.525 20 0 GHADHM COc1ccc(C2(NC(=O)c3cc([O-])c4ccccc4c3)CCOCC2)cc1 ZINC000792121279 880953277 /nfs/dbraw/zinc/95/32/77/880953277.db2.gz NVYUHMXDOMLRRA-UHFFFAOYSA-N -1 3 377.440 3.990 20 0 GHADHM O=C(OCCCCCF)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000792203135 880985292 /nfs/dbraw/zinc/98/52/92/880985292.db2.gz MVOXUWGOSRQBPH-UHFFFAOYSA-N -1 3 383.416 3.923 20 0 GHADHM CC(C)=C[C@H]1[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)C1(C)C ZINC000643325581 912630023 /nfs/dbraw/zinc/63/00/23/912630023.db2.gz UVMJVKCUFULCMS-ONGXEEELSA-N -1 3 394.235 3.807 20 0 GHADHM Cc1csc2[n-]c(CS(=O)(=O)c3cc(Cl)ccc3Cl)nc(=O)c12 ZINC000119707995 881114472 /nfs/dbraw/zinc/11/44/72/881114472.db2.gz OCXXIRJMAZLYMN-UHFFFAOYSA-N -1 3 389.285 3.574 20 0 GHADHM CC(C)CNC(=O)[C@H]1CC12CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275212537 912645353 /nfs/dbraw/zinc/64/53/53/912645353.db2.gz JXXXIKPLZYHRBT-OAHLLOKOSA-N -1 3 395.341 3.529 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(C2OCCO2)c1 ZINC000792483420 881138422 /nfs/dbraw/zinc/13/84/22/881138422.db2.gz MVUVGEVTLDRQJO-UHFFFAOYSA-N -1 3 376.372 3.516 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(C2OCCO2)c1 ZINC000792483420 881138438 /nfs/dbraw/zinc/13/84/38/881138438.db2.gz MVUVGEVTLDRQJO-UHFFFAOYSA-N -1 3 376.372 3.516 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC001183609476 912649164 /nfs/dbraw/zinc/64/91/64/912649164.db2.gz APTVJYHDMPRFID-INIZCTEOSA-N -1 3 386.467 3.967 20 0 GHADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nc(Br)cs1 ZINC000792526929 881157142 /nfs/dbraw/zinc/15/71/42/881157142.db2.gz GTSZDILQNXROCJ-UHFFFAOYSA-N -1 3 375.269 3.623 20 0 GHADHM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000919960512 881271317 /nfs/dbraw/zinc/27/13/17/881271317.db2.gz XOBYFDINDSOPOK-KTKRTIGZSA-N -1 3 380.853 3.720 20 0 GHADHM COC(=O)c1nc2ccc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)nc2[n-]1 ZINC001170295107 881316017 /nfs/dbraw/zinc/31/60/17/881316017.db2.gz UBZHEKXCIXGJGM-UHFFFAOYSA-N -1 3 390.325 3.538 20 0 GHADHM COC(=O)c1nc2nc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)ccc2[n-]1 ZINC001170295107 881316040 /nfs/dbraw/zinc/31/60/40/881316040.db2.gz UBZHEKXCIXGJGM-UHFFFAOYSA-N -1 3 390.325 3.538 20 0 GHADHM COC(=O)c1nc2ccc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)[n-]c-2n1 ZINC001170295107 881316062 /nfs/dbraw/zinc/31/60/62/881316062.db2.gz UBZHEKXCIXGJGM-UHFFFAOYSA-N -1 3 390.325 3.538 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000747212025 883309659 /nfs/dbraw/zinc/30/96/59/883309659.db2.gz YJIKUHDFIZFLJI-UHFFFAOYSA-N -1 3 376.407 3.745 20 0 GHADHM CC1(C)CCC(C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC001129895312 883313034 /nfs/dbraw/zinc/31/30/34/883313034.db2.gz CSVGGMAUPVFVKK-HNNXBMFYSA-N -1 3 382.426 3.839 20 0 GHADHM O=S(=O)([N-]Cc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000551128876 883331752 /nfs/dbraw/zinc/33/17/52/883331752.db2.gz VKIROYIDTXMTMH-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)c(C)c1 ZINC000609588425 883382316 /nfs/dbraw/zinc/38/23/16/883382316.db2.gz UUDJXDDCUIXWHG-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)no1 ZINC000551209612 883487911 /nfs/dbraw/zinc/48/79/11/883487911.db2.gz UXWBGKCLGAKPGK-CQSZACIVSA-N -1 3 390.427 3.738 20 0 GHADHM Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc(=O)c3ccccc3[n-]1)CCCC2 ZINC000286373191 912716586 /nfs/dbraw/zinc/71/65/86/912716586.db2.gz YTJWBZTVTZLXCC-LJQANCHMSA-N -1 3 376.460 3.530 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)CCCCC2)no1 ZINC000032418033 883543647 /nfs/dbraw/zinc/54/36/47/883543647.db2.gz DQLOJQISVPTISL-UHFFFAOYSA-N -1 3 393.509 3.612 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000185835072 883577462 /nfs/dbraw/zinc/57/74/62/883577462.db2.gz ZFLFBBWXXOZKEO-CYBMUJFWSA-N -1 3 383.429 3.663 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000175317629 883602541 /nfs/dbraw/zinc/60/25/41/883602541.db2.gz XDHCYLVMCQYKSM-XZHRJIJLSA-N -1 3 379.457 3.908 20 0 GHADHM Cc1cccc(-n2nnnc2SCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000079298351 883774895 /nfs/dbraw/zinc/77/48/95/883774895.db2.gz XSTYVCLONYCTRP-UHFFFAOYSA-N -1 3 390.428 3.658 20 0 GHADHM O=c1[n-]c(SCCCCOc2ccccc2C(F)(F)F)nc2[nH]ncc21 ZINC000194473057 883834071 /nfs/dbraw/zinc/83/40/71/883834071.db2.gz KCAGJGJROYOOHK-UHFFFAOYSA-N -1 3 384.383 3.616 20 0 GHADHM CC(C)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000914514305 883975924 /nfs/dbraw/zinc/97/59/24/883975924.db2.gz UTKHRNWMUFRGSZ-UHFFFAOYSA-N -1 3 390.480 3.569 20 0 GHADHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000556175786 884020081 /nfs/dbraw/zinc/02/00/81/884020081.db2.gz WZDVOMLCPRFKAU-QFIPXVFZSA-N -1 3 396.292 3.812 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000227440106 884059124 /nfs/dbraw/zinc/05/91/24/884059124.db2.gz UPISPYNLOHJFMF-VHSXEESVSA-N -1 3 384.386 3.772 20 0 GHADHM CCC(CC)N(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000494849580 884070341 /nfs/dbraw/zinc/07/03/41/884070341.db2.gz GZMGUJXYYXOHDQ-UHFFFAOYSA-N -1 3 395.352 3.699 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000918672705 884127111 /nfs/dbraw/zinc/12/71/11/884127111.db2.gz CKESOADFJODOGE-UHFFFAOYSA-N -1 3 385.427 3.866 20 0 GHADHM CC[C@H](C)NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533665 884180908 /nfs/dbraw/zinc/18/09/08/884180908.db2.gz VXUVTURWGXGSMW-QWRGUYRKSA-N -1 3 391.518 3.781 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(C)o1 ZINC000747283596 884223936 /nfs/dbraw/zinc/22/39/36/884223936.db2.gz JWCQZELIUHWNBL-CYBMUJFWSA-N -1 3 395.424 3.866 20 0 GHADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@H]1C[C@@H]1C ZINC000556266580 884291692 /nfs/dbraw/zinc/29/16/92/884291692.db2.gz OTPULLGAEANYKT-DJJJIMSYSA-N -1 3 376.453 3.696 20 0 GHADHM O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000556266517 884291759 /nfs/dbraw/zinc/29/17/59/884291759.db2.gz IWCYWTFZPFUHMW-CYBMUJFWSA-N -1 3 387.379 3.890 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c(C)c1 ZINC000475826087 884358567 /nfs/dbraw/zinc/35/85/67/884358567.db2.gz HREBOXXYKVXLDG-UHFFFAOYSA-N -1 3 375.494 3.815 20 0 GHADHM O=C(CC1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1cncc([O-])c1 ZINC001183793381 912822277 /nfs/dbraw/zinc/82/22/77/912822277.db2.gz XUQGTNRLGPZTIX-UHFFFAOYSA-N -1 3 380.366 3.883 20 0 GHADHM COc1ccccc1CC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000117319869 884445746 /nfs/dbraw/zinc/44/57/46/884445746.db2.gz HDZOKGXODZFYBZ-UHFFFAOYSA-N -1 3 395.532 3.923 20 0 GHADHM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(Br)cc1[O-] ZINC000642323690 884530221 /nfs/dbraw/zinc/53/02/21/884530221.db2.gz KNTODKKIJHSEER-UHFFFAOYSA-N -1 3 398.640 3.761 20 0 GHADHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1Cl ZINC000914706534 884571691 /nfs/dbraw/zinc/57/16/91/884571691.db2.gz PHBLZCOEDPQWED-UHFFFAOYSA-N -1 3 384.860 3.727 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000537492134 884651561 /nfs/dbraw/zinc/65/15/61/884651561.db2.gz FHPMBQHMGFNOOT-WBVHZDCISA-N -1 3 393.409 3.813 20 0 GHADHM COc1ccc2c(c1)c(C(=O)NCc1nc(C)cc(=O)[n-]1)c(C)n2C1CCCC1 ZINC000898262731 884683106 /nfs/dbraw/zinc/68/31/06/884683106.db2.gz JVUWAWXURBWEPQ-UHFFFAOYSA-N -1 3 394.475 3.807 20 0 GHADHM CCCC[C@@H](CC)CNC(=S)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806596156 884836709 /nfs/dbraw/zinc/83/67/09/884836709.db2.gz UAKIWRDYSNPCJS-XQLPTFJDSA-N -1 3 395.535 3.855 20 0 GHADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccco3)n2Cc2ccccc2)n1 ZINC000761851006 884842343 /nfs/dbraw/zinc/84/23/43/884842343.db2.gz JRRVPTCECSMXGF-UHFFFAOYSA-N -1 3 379.445 3.683 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000914842547 884915127 /nfs/dbraw/zinc/91/51/27/884915127.db2.gz JPKNOUUPKZPGPL-UHFFFAOYSA-N -1 3 399.472 3.762 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cc(Br)ccc1F ZINC000747355304 885033205 /nfs/dbraw/zinc/03/32/05/885033205.db2.gz NICGIPOWKDKXOV-UHFFFAOYSA-N -1 3 396.260 3.788 20 0 GHADHM CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914889667 885113328 /nfs/dbraw/zinc/11/33/28/885113328.db2.gz LRCRORVXRBGBDZ-UHFFFAOYSA-N -1 3 380.828 3.837 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2c(Cl)ccnc2Br)c([O-])c1 ZINC001137939595 885120369 /nfs/dbraw/zinc/12/03/69/885120369.db2.gz JYPDVZYKFCAXPD-UHFFFAOYSA-N -1 3 399.628 3.632 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000747370078 885177682 /nfs/dbraw/zinc/17/76/82/885177682.db2.gz YPZDMZKIFKFZIZ-UHFFFAOYSA-N -1 3 387.490 3.973 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)[n-]1 ZINC000556504186 885187633 /nfs/dbraw/zinc/18/76/33/885187633.db2.gz CKVMICOPGFFSMT-UHFFFAOYSA-N -1 3 377.372 3.764 20 0 GHADHM Cc1ccccc1NC(=O)N[N-]C(=O)c1cc(Br)ccc1Cl ZINC000008571475 885197196 /nfs/dbraw/zinc/19/71/96/885197196.db2.gz RUJXUCBWKVDRJA-UHFFFAOYSA-N -1 3 382.645 3.877 20 0 GHADHM CN(C)[C@@H](CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccccc1 ZINC000666509792 885227586 /nfs/dbraw/zinc/22/75/86/885227586.db2.gz GQLQJHWEHYQNRN-NRFANRHFSA-N -1 3 395.503 3.577 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc(OC(F)F)c3)cc2)n1 ZINC000107130773 885293163 /nfs/dbraw/zinc/29/31/63/885293163.db2.gz YPDCGVFVTJNPIW-UHFFFAOYSA-N -1 3 385.370 3.528 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@@H]3CCCc4ccccc43)n[n-]2)o1 ZINC000919328363 885342731 /nfs/dbraw/zinc/34/27/31/885342731.db2.gz CVEXOHYRCQEWIG-LJQANCHMSA-N -1 3 393.443 3.671 20 0 GHADHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@@H]3CCCc4ccccc43)[n-]n2)o1 ZINC000919328363 885342751 /nfs/dbraw/zinc/34/27/51/885342751.db2.gz CVEXOHYRCQEWIG-LJQANCHMSA-N -1 3 393.443 3.671 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)n[n-]2)o1 ZINC000919324393 885379745 /nfs/dbraw/zinc/37/97/45/885379745.db2.gz HPNRAFDUVQVCKR-OCCSQVGLSA-N -1 3 379.416 3.501 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)[n-]n2)o1 ZINC000919324393 885379764 /nfs/dbraw/zinc/37/97/64/885379764.db2.gz HPNRAFDUVQVCKR-OCCSQVGLSA-N -1 3 379.416 3.501 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(=O)c2ccc(F)cc2o1 ZINC000807383712 885410976 /nfs/dbraw/zinc/41/09/76/885410976.db2.gz KOEUJTNNYAAZQJ-UHFFFAOYSA-N -1 3 390.330 3.716 20 0 GHADHM CCC(CC)n1nccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610913356 885493935 /nfs/dbraw/zinc/49/39/35/885493935.db2.gz NNNKZGQTRDDTAJ-UHFFFAOYSA-N -1 3 399.232 3.807 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1C ZINC000303303407 885513060 /nfs/dbraw/zinc/51/30/60/885513060.db2.gz DBOHYXQUMDJGIU-UHFFFAOYSA-N -1 3 377.853 3.644 20 0 GHADHM Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(Cl)c1Cl ZINC000614824355 885569153 /nfs/dbraw/zinc/56/91/53/885569153.db2.gz KCYUWJWDDIXGAK-MNOVXSKESA-N -1 3 396.274 3.796 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C)n3)cc2)cc1 ZINC000108251075 885618624 /nfs/dbraw/zinc/61/86/24/885618624.db2.gz ITTIXXJNJSWBLG-UHFFFAOYSA-N -1 3 387.461 3.710 20 0 GHADHM CCCCN1C(=O)CC[C@@H](C(=O)Nc2ncccc2[O-])[C@H]1c1ccccc1OC ZINC000476410028 885621964 /nfs/dbraw/zinc/62/19/64/885621964.db2.gz OUNKIZOELJZBPK-OXQOHEQNSA-N -1 3 397.475 3.514 20 0 GHADHM CC(C)(C)c1csc(C2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)n1 ZINC000118339573 885627745 /nfs/dbraw/zinc/62/77/45/885627745.db2.gz YBJKEEDPZOBGMA-UHFFFAOYSA-N -1 3 396.516 3.697 20 0 GHADHM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000498767234 885655431 /nfs/dbraw/zinc/65/54/31/885655431.db2.gz IKENXNHTXWIQAP-UHFFFAOYSA-N -1 3 394.434 3.797 20 0 GHADHM CCCCOc1ccc(C(=O)N(CC)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001183997257 912959621 /nfs/dbraw/zinc/95/96/21/912959621.db2.gz KWGSIXODXCWABY-UHFFFAOYSA-N -1 3 380.485 3.558 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000747421813 885715489 /nfs/dbraw/zinc/71/54/89/885715489.db2.gz MNAJBJLQCRHTKZ-UHFFFAOYSA-N -1 3 396.422 3.979 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnn(CCO)c1-c1ccccc1 ZINC000476415858 885715520 /nfs/dbraw/zinc/71/55/20/885715520.db2.gz QEXBWHPXWNYNLJ-UHFFFAOYSA-N -1 3 391.349 3.519 20 0 GHADHM Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1C(=O)OC(C)(C)C ZINC000762227789 885761500 /nfs/dbraw/zinc/76/15/00/885761500.db2.gz NUSCTMLRHJTFRB-UHFFFAOYSA-N -1 3 379.416 3.851 20 0 GHADHM Cn1ncc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1C(F)F ZINC000532508223 885847405 /nfs/dbraw/zinc/84/74/05/885847405.db2.gz JQIWOSVKEGBCST-UHFFFAOYSA-N -1 3 386.189 3.729 20 0 GHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)c(C)c1C ZINC000532498056 885873858 /nfs/dbraw/zinc/87/38/58/885873858.db2.gz LIZAIBGTYOIAPI-SFHVURJKSA-N -1 3 386.517 3.633 20 0 GHADHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000915198910 885997958 /nfs/dbraw/zinc/99/79/58/885997958.db2.gz VYPIGOAGEIBHRP-LLVKDONJSA-N -1 3 387.233 3.608 20 0 GHADHM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000055584697 886090090 /nfs/dbraw/zinc/09/00/90/886090090.db2.gz IQDNOMPOFSETRK-UHFFFAOYSA-N -1 3 390.505 3.580 20 0 GHADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000131454228 886100605 /nfs/dbraw/zinc/10/06/05/886100605.db2.gz WELYDDRMPGGFGR-UHFFFAOYSA-N -1 3 396.516 3.577 20 0 GHADHM O=C1O[C@@H](CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC12CC2 ZINC000762393723 886120573 /nfs/dbraw/zinc/12/05/73/886120573.db2.gz FIJOERKQTKDZFG-SNVBAGLBSA-N -1 3 388.470 3.986 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(F)cc1F ZINC000808342032 886245812 /nfs/dbraw/zinc/24/58/12/886245812.db2.gz PDSVYZVNENRPOV-VQTJNVASSA-N -1 3 389.423 3.718 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000808339528 886274908 /nfs/dbraw/zinc/27/49/08/886274908.db2.gz UPAGSBJCIXPVLH-BMIGLBTASA-N -1 3 393.814 3.759 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1Cl ZINC000762540235 886355085 /nfs/dbraw/zinc/35/50/85/886355085.db2.gz RDOCXLGAUKMIDX-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccnc3C(F)(F)F)c2)n1 ZINC000119996492 886491327 /nfs/dbraw/zinc/49/13/27/886491327.db2.gz LVXUTYQWYNBRCF-UHFFFAOYSA-N -1 3 388.349 3.665 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2nc(-c3sccc3C)ns2)cc1OC ZINC000131849823 886576238 /nfs/dbraw/zinc/57/62/38/886576238.db2.gz FHMHLROMDSHOGJ-UHFFFAOYSA-N -1 3 379.438 3.984 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)c3ccc(OC(F)F)cc3)n[n-]c21 ZINC000808673958 886671082 /nfs/dbraw/zinc/67/10/82/886671082.db2.gz LLTVZEPPYLTIEK-SNVBAGLBSA-N -1 3 390.342 3.601 20 0 GHADHM COc1cccc2c(C(=O)O[C@H](C)C(=O)c3ccc(OC(F)F)cc3)[n-]nc21 ZINC000808673958 886671090 /nfs/dbraw/zinc/67/10/90/886671090.db2.gz LLTVZEPPYLTIEK-SNVBAGLBSA-N -1 3 390.342 3.601 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(SC(=O)N(C)C)cc3)n[n-]c21 ZINC000808675936 886674778 /nfs/dbraw/zinc/67/47/78/886674778.db2.gz XWSVKHNRGGLKMY-UHFFFAOYSA-N -1 3 385.445 3.702 20 0 GHADHM COc1cccc2c(C(=O)OCc3ccc(SC(=O)N(C)C)cc3)[n-]nc21 ZINC000808675936 886674794 /nfs/dbraw/zinc/67/47/94/886674794.db2.gz XWSVKHNRGGLKMY-UHFFFAOYSA-N -1 3 385.445 3.702 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000119303478 886893841 /nfs/dbraw/zinc/89/38/41/886893841.db2.gz IRMGLCVGOSUPQM-XPTSAGLGSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCc4cc(Br)cnc43)n[n-]2)o1 ZINC000809039711 887024564 /nfs/dbraw/zinc/02/45/64/887024564.db2.gz NSKHUPHPSDUBMT-OAHLLOKOSA-N -1 3 388.221 3.980 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCc4cc(Br)cnc43)[n-]n2)o1 ZINC000809039711 887024574 /nfs/dbraw/zinc/02/45/74/887024574.db2.gz NSKHUPHPSDUBMT-OAHLLOKOSA-N -1 3 388.221 3.980 20 0 GHADHM Cn1ncc2c1nc(SCc1cccc(NC(=O)OC(C)(C)C)c1)[n-]c2=O ZINC000863363051 887058872 /nfs/dbraw/zinc/05/88/72/887058872.db2.gz PBTSPDHTZVOXMW-UHFFFAOYSA-N -1 3 387.465 3.708 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cnc2Cl)cc1 ZINC000863449459 887118880 /nfs/dbraw/zinc/11/88/80/887118880.db2.gz IWHIOUAIVUQSRU-NSHDSACASA-N -1 3 382.869 3.836 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000128196702 887156409 /nfs/dbraw/zinc/15/64/09/887156409.db2.gz FYGKUEYVKNSRRE-LBPRGKRZSA-N -1 3 396.340 3.537 20 0 GHADHM CCOc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1OC ZINC000049301864 887552903 /nfs/dbraw/zinc/55/29/03/887552903.db2.gz SXBNCCRZWBQHHU-UHFFFAOYSA-N -1 3 393.443 3.659 20 0 GHADHM CCS[C@H](C)c1noc(CN(C)Cc2cccc([O-])c2Br)n1 ZINC000459366195 887735451 /nfs/dbraw/zinc/73/54/51/887735451.db2.gz UEBWHYMBFRDVRJ-SNVBAGLBSA-N -1 3 386.315 3.984 20 0 GHADHM Cc1ccc2cc(CN3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)ccc2n1 ZINC000809769580 887756919 /nfs/dbraw/zinc/75/69/19/887756919.db2.gz PEYWIERTBGDRSV-YEWDVWPNSA-N -1 3 379.426 3.821 20 0 GHADHM Cc1cc(F)c(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c(F)c1 ZINC000864527156 887828559 /nfs/dbraw/zinc/82/85/59/887828559.db2.gz BFTRPFKDEXKDPC-INIZCTEOSA-N -1 3 389.320 3.957 20 0 GHADHM Cc1nc(C)c(CCC(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000194017341 887958590 /nfs/dbraw/zinc/95/85/90/887958590.db2.gz NKZYAVGIPXKEJK-UHFFFAOYSA-N -1 3 396.878 3.601 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(F)(F)c3ccc(OC)cc3)c2)n1 ZINC000120206111 887983229 /nfs/dbraw/zinc/98/32/29/887983229.db2.gz CDIXZMLGPAALFD-UHFFFAOYSA-N -1 3 399.397 3.738 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(CCc2cccc(Cl)c2Cl)C1)C(F)(F)F ZINC000810066577 888153812 /nfs/dbraw/zinc/15/38/12/888153812.db2.gz NIYZVWKBUHXTPT-NSHDSACASA-N -1 3 383.241 3.926 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C ZINC000614843973 888224388 /nfs/dbraw/zinc/22/43/88/888224388.db2.gz PAMQJFRPWJUERN-UHFFFAOYSA-N -1 3 375.368 3.935 20 0 GHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Cl)ncc1Br ZINC000810186248 888271445 /nfs/dbraw/zinc/27/14/45/888271445.db2.gz JUJGBOUTBYCVMF-UHFFFAOYSA-N -1 3 396.657 3.663 20 0 GHADHM COc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc(OC)c1[O-] ZINC000136180313 888278972 /nfs/dbraw/zinc/27/89/72/888278972.db2.gz AEHYYRDBJLPSCN-UHFFFAOYSA-N -1 3 396.418 3.959 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)cc1C ZINC000614856466 888282203 /nfs/dbraw/zinc/28/22/03/888282203.db2.gz CROUZBNYKJDNHV-UHFFFAOYSA-N -1 3 387.461 3.780 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1)C(F)(F)F ZINC000810202187 888287091 /nfs/dbraw/zinc/28/70/91/888287091.db2.gz UADMLIZTFLPBGN-ZDUSSCGKSA-N -1 3 394.397 3.604 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000763217161 888337248 /nfs/dbraw/zinc/33/72/48/888337248.db2.gz REXNZXMFEZZZCU-HUUCEWRRSA-N -1 3 385.533 3.869 20 0 GHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000153782279 888561264 /nfs/dbraw/zinc/56/12/64/888561264.db2.gz WKKNWSXAGMRDIR-OAHLLOKOSA-N -1 3 376.460 3.863 20 0 GHADHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2ccc(F)cc2)s1 ZINC000866628861 888981253 /nfs/dbraw/zinc/98/12/53/888981253.db2.gz SIDAQGUBLYZLIU-LBPRGKRZSA-N -1 3 385.464 3.973 20 0 GHADHM C/C(=C\C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000810901024 889010110 /nfs/dbraw/zinc/01/01/10/889010110.db2.gz VPYDTAYOEFQIBK-RPHSKFLZSA-N -1 3 388.817 3.660 20 0 GHADHM CC(C)(CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C1CCCCC1 ZINC000810904123 889011919 /nfs/dbraw/zinc/01/19/19/889011919.db2.gz XITSPFRVGJHFRC-AWEZNQCLSA-N -1 3 376.463 3.900 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCn4c(C5CCCC5)nnc4[C@H]3C)cc(=O)oc12 ZINC000287392763 913310175 /nfs/dbraw/zinc/31/01/75/913310175.db2.gz NMYXQFJTWACCMK-CQSZACIVSA-N -1 3 394.475 3.633 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000532864997 889160726 /nfs/dbraw/zinc/16/07/26/889160726.db2.gz YUKUDKIMJLUJTQ-UHFFFAOYSA-N -1 3 386.459 3.793 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000532864997 889160733 /nfs/dbraw/zinc/16/07/33/889160733.db2.gz YUKUDKIMJLUJTQ-UHFFFAOYSA-N -1 3 386.459 3.793 20 0 GHADHM O=C(OCCc1c(F)cccc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000747687770 889306843 /nfs/dbraw/zinc/30/68/43/889306843.db2.gz FLNXPAMEHCEDSR-KRWDZBQOSA-N -1 3 391.826 3.575 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC000124656221 889712809 /nfs/dbraw/zinc/71/28/09/889712809.db2.gz FXIDCQXLDMVLBK-UHFFFAOYSA-N -1 3 375.354 3.538 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC000124656221 889712819 /nfs/dbraw/zinc/71/28/19/889712819.db2.gz FXIDCQXLDMVLBK-UHFFFAOYSA-N -1 3 375.354 3.538 20 0 GHADHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1oc3ccc(Cl)cc3c1C)CCC2 ZINC000533097952 889725693 /nfs/dbraw/zinc/72/56/93/889725693.db2.gz ZAYQCIFAFJZLPR-ZDUSSCGKSA-N -1 3 393.896 3.755 20 0 GHADHM Cc1ccc([C@H](NC(=O)COC(=O)c2ccc([O-])cc2)c2cccs2)cc1 ZINC000017483234 889882744 /nfs/dbraw/zinc/88/27/44/889882744.db2.gz UXSNKRXOQIKGEN-FQEVSTJZSA-N -1 3 381.453 3.825 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000533175330 889907024 /nfs/dbraw/zinc/90/70/24/889907024.db2.gz PORAXOAQZVMRHC-VIFPVBQESA-N -1 3 385.820 3.640 20 0 GHADHM O=c1[n-]c(SCc2ccc3c(c2)OCCO3)nc2c1cnn2-c1ccccc1 ZINC000064338270 889911669 /nfs/dbraw/zinc/91/16/69/889911669.db2.gz PJJYVTMSOLCDFS-UHFFFAOYSA-N -1 3 392.440 3.585 20 0 GHADHM CC(=O)N(CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)Cc1ccccc1 ZINC000125379409 889974352 /nfs/dbraw/zinc/97/43/52/889974352.db2.gz LKOHMXNCWCRAEB-UHFFFAOYSA-N -1 3 380.366 3.788 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccccc2Br)n1 ZINC000125582387 890043429 /nfs/dbraw/zinc/04/34/29/890043429.db2.gz ZYHBMUVVKBCYDL-JTQLQIEISA-N -1 3 396.310 3.768 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000533310752 890224285 /nfs/dbraw/zinc/22/42/85/890224285.db2.gz BCVNKVAAONICTM-MJGOQNOKSA-N -1 3 383.517 3.667 20 0 GHADHM Cc1ccc(-c2nnc(NC(=O)c3c[n-]c4ccccc4c3=O)s2)c(C)c1 ZINC000065122709 890314801 /nfs/dbraw/zinc/31/48/01/890314801.db2.gz YSPCDDNFLZMNLC-UHFFFAOYSA-N -1 3 376.441 3.916 20 0 GHADHM C=Cc1ccc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000644670795 913443542 /nfs/dbraw/zinc/44/35/42/913443542.db2.gz OCYPLRZKMVZLIC-UHFFFAOYSA-N -1 3 397.272 3.906 20 0 GHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000126128712 890376928 /nfs/dbraw/zinc/37/69/28/890376928.db2.gz FWAOJMHELGQFFC-UHFFFAOYSA-N -1 3 386.242 3.982 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC1(c2ccccc2F)CC1 ZINC000126176041 890398691 /nfs/dbraw/zinc/39/86/91/890398691.db2.gz FFEXZZYOQUXNHH-UHFFFAOYSA-N -1 3 379.229 3.782 20 0 GHADHM COc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000126286729 890457747 /nfs/dbraw/zinc/45/77/47/890457747.db2.gz IGPBDIZNORRFOF-UHFFFAOYSA-N -1 3 393.281 3.813 20 0 GHADHM CC(C)(CNC(=O)c1[n-]c(=O)ccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC001184816451 913455796 /nfs/dbraw/zinc/45/57/96/913455796.db2.gz HZIBUPKGIPVXFY-UHFFFAOYSA-N -1 3 386.801 3.884 20 0 GHADHM CC(C)(C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000812274908 890492951 /nfs/dbraw/zinc/49/29/51/890492951.db2.gz LYUOLEADMVEKLN-GFCCVEGCSA-N -1 3 390.833 3.535 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC/C=C/Cl)c2)cc1 ZINC000812401166 890584787 /nfs/dbraw/zinc/58/47/87/890584787.db2.gz WETKKORISKZQAC-XCVCLJGOSA-N -1 3 394.880 3.518 20 0 GHADHM Cc1nc(Cl)c([N-]S(=O)(=O)c2cccnc2Cl)cc1Br ZINC001184842816 913478868 /nfs/dbraw/zinc/47/88/68/913478868.db2.gz YGSIVUGZZXDYNA-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM COC(=O)c1cccc2c1CCCN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000533487795 890704219 /nfs/dbraw/zinc/70/42/19/890704219.db2.gz RMSDSISHJNKWFN-UHFFFAOYSA-N -1 3 389.411 3.821 20 0 GHADHM CSCCCCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315384 890749871 /nfs/dbraw/zinc/74/98/71/890749871.db2.gz HXOPLZBJYHUIFB-CYBMUJFWSA-N -1 3 388.455 3.719 20 0 GHADHM Cc1ccc(C(=O)NCCc2nc(-c3cc(C)c4ccccc4n3)no2)c([O-])c1 ZINC000445388224 890758172 /nfs/dbraw/zinc/75/81/72/890758172.db2.gz AYQSFQACWBRSDP-UHFFFAOYSA-N -1 3 388.427 3.580 20 0 GHADHM COc1cccc(C[C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000497318951 890800584 /nfs/dbraw/zinc/80/05/84/890800584.db2.gz MKLAVRFCYKMPOH-AWEZNQCLSA-N -1 3 392.459 3.919 20 0 GHADHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3cccc(CC)c3[O-])CC2)cc1 ZINC000812667139 890828649 /nfs/dbraw/zinc/82/86/49/890828649.db2.gz QCLJYYTUQZAPFA-NRFANRHFSA-N -1 3 383.488 3.939 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)[n-]1 ZINC001184936803 913514555 /nfs/dbraw/zinc/51/45/55/913514555.db2.gz NGKXCMIUWMGPEF-AWEZNQCLSA-N -1 3 394.353 3.661 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](c2c[nH]c3ccc(C)cc32)C(F)(F)F)c[n-]1 ZINC001184936803 913514571 /nfs/dbraw/zinc/51/45/71/913514571.db2.gz NGKXCMIUWMGPEF-AWEZNQCLSA-N -1 3 394.353 3.661 20 0 GHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000127389008 891035910 /nfs/dbraw/zinc/03/59/10/891035910.db2.gz MGXONUPXOAVRJD-CRAIPNDOSA-N -1 3 392.455 3.929 20 0 GHADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)n1 ZINC000127508025 891103669 /nfs/dbraw/zinc/10/36/69/891103669.db2.gz RNXKIJSUMRCPAV-UHFFFAOYSA-N -1 3 377.235 3.944 20 0 GHADHM C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([O-])c1F ZINC000872070633 891138136 /nfs/dbraw/zinc/13/81/36/891138136.db2.gz VMOXYGHHCHJSIF-MCMMXHMISA-N -1 3 397.450 3.607 20 0 GHADHM O=S(=O)([N-][C@H]1CC[C@@H](OCc2ccccc2)CC1)c1cccnc1Cl ZINC001184909280 913530696 /nfs/dbraw/zinc/53/06/96/913530696.db2.gz KMOLYPZJYINULV-IYBDPMFKSA-N -1 3 380.897 3.541 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000872323018 891236153 /nfs/dbraw/zinc/23/61/53/891236153.db2.gz LETCKOJEYSXRIM-DLBZAZTESA-N -1 3 378.241 3.888 20 0 GHADHM COc1cc(Cl)c(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000872323559 891238061 /nfs/dbraw/zinc/23/80/61/891238061.db2.gz KRLVGAABQJXUAB-CVEARBPZSA-N -1 3 393.842 3.797 20 0 GHADHM CCOCCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825599601 891252183 /nfs/dbraw/zinc/25/21/83/891252183.db2.gz OCMVKYOYUXYWJK-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM CCOCCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825599601 891252198 /nfs/dbraw/zinc/25/21/98/891252198.db2.gz OCMVKYOYUXYWJK-UHFFFAOYSA-N -1 3 388.811 3.506 20 0 GHADHM [O-]c1ccc(Nc2cc3c(cc2I)OCO3)c(F)c1F ZINC001212016302 891342501 /nfs/dbraw/zinc/34/25/01/891342501.db2.gz JKVYTGFTUORTKM-UHFFFAOYSA-N -1 3 391.111 3.747 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC000872865943 891363268 /nfs/dbraw/zinc/36/32/68/891363268.db2.gz IHZVUSQDSJLNAU-SFHVURJKSA-N -1 3 378.900 3.794 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000772848656 891390986 /nfs/dbraw/zinc/39/09/86/891390986.db2.gz XFDFDRVDHRIRMI-HNNXBMFYSA-N -1 3 398.242 3.938 20 0 GHADHM O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000128086218 891405652 /nfs/dbraw/zinc/40/56/52/891405652.db2.gz LTQKKXDAHFHPMT-UHFFFAOYSA-N -1 3 399.450 3.625 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813283157 891468359 /nfs/dbraw/zinc/46/83/59/891468359.db2.gz LAQNTBHFMSIBIE-KRWDZBQOSA-N -1 3 398.469 3.953 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813283600 891470147 /nfs/dbraw/zinc/47/01/47/891470147.db2.gz WTHCBEPCJJZANZ-CVEARBPZSA-N -1 3 376.463 3.900 20 0 GHADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001137068542 891475151 /nfs/dbraw/zinc/47/51/51/891475151.db2.gz HOWPUNPBJVPOAQ-SUMWQHHRSA-N -1 3 389.293 3.989 20 0 GHADHM CC(C)COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000128239600 891497149 /nfs/dbraw/zinc/49/71/49/891497149.db2.gz WUYOZATUCKCWFP-IBGZPJMESA-N -1 3 382.460 3.670 20 0 GHADHM CN(Cc1ccn(-c2ccccc2)n1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000917160014 891500947 /nfs/dbraw/zinc/50/09/47/891500947.db2.gz OSNULSMNFVPEFW-UHFFFAOYSA-N -1 3 385.427 3.899 20 0 GHADHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(CCCc3c(Cl)cccc3Cl)C2)cn1 ZINC000874048141 891966865 /nfs/dbraw/zinc/96/68/65/891966865.db2.gz KWYBPLMJQDKINA-UONOGXRCSA-N -1 3 396.318 3.850 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000475999490 891995628 /nfs/dbraw/zinc/99/56/28/891995628.db2.gz RTEQZOJXEMQQLJ-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM COc1ccc(C(=O)CCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000475999490 891995648 /nfs/dbraw/zinc/99/56/48/891995648.db2.gz RTEQZOJXEMQQLJ-UHFFFAOYSA-N -1 3 393.447 3.647 20 0 GHADHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000917514916 892121336 /nfs/dbraw/zinc/12/13/36/892121336.db2.gz QIJOZIJMXALSBE-UHFFFAOYSA-N -1 3 394.481 3.857 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000874611417 892251822 /nfs/dbraw/zinc/25/18/22/892251822.db2.gz YWYGCPIIPVUQMT-UHFFFAOYSA-N -1 3 392.521 3.587 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2ncc(Cc3ccccc3F)s2)c2ccccc21 ZINC000917604201 892272776 /nfs/dbraw/zinc/27/27/76/892272776.db2.gz KBUQCAQMMGODDS-WJDWOHSUSA-N -1 3 379.416 3.596 20 0 GHADHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1Cl ZINC000068577920 892442655 /nfs/dbraw/zinc/44/26/55/892442655.db2.gz YCPSXODPVOLXBH-QMMMGPOBSA-N -1 3 378.215 3.760 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)cc1OC ZINC000128866130 892561898 /nfs/dbraw/zinc/56/18/98/892561898.db2.gz SRANJSFJXRUBJV-UHFFFAOYSA-N -1 3 391.399 3.677 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)c(=O)[n-]1 ZINC000068795207 892758952 /nfs/dbraw/zinc/75/89/52/892758952.db2.gz QYMNONOTYXKWHT-HXUWFJFHSA-N -1 3 395.890 3.683 20 0 GHADHM CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000825820721 892834514 /nfs/dbraw/zinc/83/45/14/892834514.db2.gz QIUCVWGBLYSMGI-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000825820721 892834550 /nfs/dbraw/zinc/83/45/50/892834550.db2.gz QIUCVWGBLYSMGI-UHFFFAOYSA-N -1 3 391.859 3.555 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(I)cc1Cl ZINC000154595035 892933671 /nfs/dbraw/zinc/93/36/71/892933671.db2.gz NWESAMMFGFSIRO-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(I)cc1Cl ZINC000154595035 892933689 /nfs/dbraw/zinc/93/36/89/892933689.db2.gz NWESAMMFGFSIRO-LLVKDONJSA-N -1 3 396.612 3.524 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)cc1 ZINC000125763994 892976114 /nfs/dbraw/zinc/97/61/14/892976114.db2.gz TVPJSWLLIRWVSX-HNNXBMFYSA-N -1 3 399.299 3.928 20 0 GHADHM Cc1ccc2sc(C[N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)nc2c1 ZINC000918107724 893126413 /nfs/dbraw/zinc/12/64/13/893126413.db2.gz JWOVICPFMHGESM-UHFFFAOYSA-N -1 3 379.507 3.510 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)nc2)n1 ZINC000428681295 893184789 /nfs/dbraw/zinc/18/47/89/893184789.db2.gz NACCLUDEAPGLGP-GCJKJVERSA-N -1 3 394.450 3.524 20 0 GHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000933987451 893339761 /nfs/dbraw/zinc/33/97/61/893339761.db2.gz PZJWXCGHXYLTMO-UKRRQHHQSA-N -1 3 382.410 3.900 20 0 GHADHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000187480601 893451683 /nfs/dbraw/zinc/45/16/83/893451683.db2.gz SGZYHGSVYUVLJO-OAHLLOKOSA-N -1 3 396.809 3.934 20 0 GHADHM Cc1ccc(Br)cc1NC(=O)CNCc1cccc([O-])c1Cl ZINC000815122234 893457904 /nfs/dbraw/zinc/45/79/04/893457904.db2.gz JYJJMGRVJUXZPC-UHFFFAOYSA-N -1 3 383.673 3.845 20 0 GHADHM COCCOc1cc(C)ccc1CNCc1cccc([O-])c1Br ZINC000459438112 893551424 /nfs/dbraw/zinc/55/14/24/893551424.db2.gz SPVAODPPNRUQRZ-UHFFFAOYSA-N -1 3 380.282 3.778 20 0 GHADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1csc([C@@H](C)OC)n1 ZINC000934351248 893563202 /nfs/dbraw/zinc/56/32/02/893563202.db2.gz QZPHSOXIXLVQGW-SECBINFHSA-N -1 3 390.839 3.921 20 0 GHADHM COCCCn1c(=O)[n-]nc1S[C@@H]1CCCc2ccc(Br)cc21 ZINC000536700615 893573214 /nfs/dbraw/zinc/57/32/14/893573214.db2.gz XQPGZUMKTVNAQS-CQSZACIVSA-N -1 3 398.326 3.952 20 0 GHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563373929 893675786 /nfs/dbraw/zinc/67/57/86/893675786.db2.gz LGSSHRFOVJPUBN-NSHDSACASA-N -1 3 380.473 3.983 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000129591416 893684874 /nfs/dbraw/zinc/68/48/74/893684874.db2.gz UZOLWKXYWSPIET-UHFFFAOYSA-N -1 3 384.363 3.544 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1Br ZINC000459554116 893795522 /nfs/dbraw/zinc/79/55/22/893795522.db2.gz CRHSXKVVFSSWQR-HXUWFJFHSA-N -1 3 390.321 3.972 20 0 GHADHM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cc([O-])c2ccccc2c1 ZINC000563483926 893799133 /nfs/dbraw/zinc/79/91/33/893799133.db2.gz VWUUBHIUDRSSJQ-UHFFFAOYSA-N -1 3 376.334 3.812 20 0 GHADHM CCOc1cc(CN[C@@H](C)c2ncc(Br)cn2)cc(Cl)c1[O-] ZINC000459586225 893821969 /nfs/dbraw/zinc/82/19/69/893821969.db2.gz JCSSCJAEMATLKM-VIFPVBQESA-N -1 3 386.677 3.848 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc3ncccc3o2)CC1 ZINC000934704771 893832686 /nfs/dbraw/zinc/83/26/86/893832686.db2.gz IJHPKBHUIQRFBB-UHFFFAOYSA-N -1 3 399.834 3.678 20 0 GHADHM COc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3[O-])o2)cc1OC ZINC000877908328 893886684 /nfs/dbraw/zinc/88/66/84/893886684.db2.gz OUSLRMJOAXEGON-INIZCTEOSA-N -1 3 381.432 3.797 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000536822008 893892509 /nfs/dbraw/zinc/89/25/09/893892509.db2.gz PFAFIVFBPGPLHM-AWEZNQCLSA-N -1 3 380.366 3.662 20 0 GHADHM CCCCn1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c(C)n1 ZINC001185382425 913829269 /nfs/dbraw/zinc/82/92/69/913829269.db2.gz LUWQXRPDZCSHCI-UHFFFAOYSA-N -1 3 393.406 3.628 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000878694886 894515904 /nfs/dbraw/zinc/51/59/04/894515904.db2.gz BJHUNRPLTMGNTL-FQEVSTJZSA-N -1 3 379.460 3.826 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Br)c2ccccc2c1 ZINC000816183810 894566378 /nfs/dbraw/zinc/56/63/78/894566378.db2.gz ZPTLCEMQTMHYMF-UHFFFAOYSA-N -1 3 399.170 3.669 20 0 GHADHM O=C([N-]c1nncn1-c1ccccc1)c1c(F)cc(Br)cc1F ZINC000537312856 894757118 /nfs/dbraw/zinc/75/71/18/894757118.db2.gz YKULLLMULQIKRU-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([O-])ccc1Cl ZINC000564261781 894786732 /nfs/dbraw/zinc/78/67/32/894786732.db2.gz WETIRIGVMZSQNR-HNNXBMFYSA-N -1 3 399.661 3.888 20 0 GHADHM CC(C)CN(Cc1ccc(F)c(Cl)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000879034185 894797285 /nfs/dbraw/zinc/79/72/85/894797285.db2.gz ZUOKDGVDBSYREB-UHFFFAOYSA-N -1 3 379.863 3.706 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([O-])c1 ZINC001135607694 894884792 /nfs/dbraw/zinc/88/47/92/894884792.db2.gz RFXDNPVMUFGLMK-UHFFFAOYSA-N -1 3 383.473 3.653 20 0 GHADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC001135612593 894889459 /nfs/dbraw/zinc/88/94/59/894889459.db2.gz CMBHMOFTWHMNTR-QGZVFWFLSA-N -1 3 378.394 3.978 20 0 GHADHM O=C([N-]C[C@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1)C(F)(F)F ZINC000816614949 894976039 /nfs/dbraw/zinc/97/60/39/894976039.db2.gz JDPWUTQZDVWGRD-CYBMUJFWSA-N -1 3 399.438 3.716 20 0 GHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000816768822 895044447 /nfs/dbraw/zinc/04/44/47/895044447.db2.gz IMZSGTDHCMLZJJ-UHFFFAOYSA-N -1 3 379.743 3.591 20 0 GHADHM C[C@@]1(C(F)(F)F)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000879504044 895096514 /nfs/dbraw/zinc/09/65/14/895096514.db2.gz TWRARABNBIDKGE-INIZCTEOSA-N -1 3 399.394 3.810 20 0 GHADHM CC(C)(C)c1ccc(Cl)cc1NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000879503764 895096849 /nfs/dbraw/zinc/09/68/49/895096849.db2.gz MLXCSESTVHWZNC-UHFFFAOYSA-N -1 3 390.871 3.528 20 0 GHADHM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000879647005 895199596 /nfs/dbraw/zinc/19/95/96/895199596.db2.gz ZAGTYYYHCVJVGV-HXUWFJFHSA-N -1 3 391.874 3.645 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000817000063 895253007 /nfs/dbraw/zinc/25/30/07/895253007.db2.gz IMFJNHSEEHZLAF-SJLPKXTDSA-N -1 3 388.508 3.987 20 0 GHADHM CCN(C[C@@H]1CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C1)CC(F)(F)F ZINC000565034179 895359023 /nfs/dbraw/zinc/35/90/23/895359023.db2.gz BCQRGWNXUNUMAF-AWEZNQCLSA-N -1 3 395.425 3.952 20 0 GHADHM O=S(=O)(Cc1ccccc1Br)[N-]c1c(F)c(F)cc(F)c1F ZINC000565135475 895416699 /nfs/dbraw/zinc/41/66/99/895416699.db2.gz RYPIKHFFWPLWFU-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000817354956 895524964 /nfs/dbraw/zinc/52/49/64/895524964.db2.gz LGMKCUGBYJWKCD-QGZVFWFLSA-N -1 3 386.514 3.694 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Br)o1)[N-]OCCC1CC1 ZINC000817383879 895558181 /nfs/dbraw/zinc/55/81/81/895558181.db2.gz XHFNJDAWMXNXOB-UHFFFAOYSA-N -1 3 379.254 3.885 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1OC)c1ccc(C)o1 ZINC000645574859 913980600 /nfs/dbraw/zinc/98/06/00/913980600.db2.gz BUBCOYMSAJSDHC-OAHLLOKOSA-N -1 3 381.494 3.560 20 0 GHADHM CC(C)(O)CO[N-]C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000880230938 895584812 /nfs/dbraw/zinc/58/48/12/895584812.db2.gz QSCFJARWSQAAMI-NXEZZACHSA-N -1 3 381.420 3.803 20 0 GHADHM COCc1ccsc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826165394 895705899 /nfs/dbraw/zinc/70/58/99/895705899.db2.gz SFNHNVCRBCQSKW-UHFFFAOYSA-N -1 3 389.506 3.657 20 0 GHADHM COCc1ccsc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826165394 895705914 /nfs/dbraw/zinc/70/59/14/895705914.db2.gz SFNHNVCRBCQSKW-UHFFFAOYSA-N -1 3 389.506 3.657 20 0 GHADHM COCc1cc(N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000826164323 895725017 /nfs/dbraw/zinc/72/50/17/895725017.db2.gz RAUBZJCLEYMPKU-AWEZNQCLSA-N -1 3 387.447 3.643 20 0 GHADHM COCc1cc(N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000826164323 895725031 /nfs/dbraw/zinc/72/50/31/895725031.db2.gz RAUBZJCLEYMPKU-AWEZNQCLSA-N -1 3 387.447 3.643 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2c1cccc2Br ZINC000817639244 895773991 /nfs/dbraw/zinc/77/39/91/895773991.db2.gz LDCDMFFUEBNROI-UHFFFAOYSA-N -1 3 376.254 3.579 20 0 GHADHM Nc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c([O-])c1 ZINC000817998408 895982249 /nfs/dbraw/zinc/98/22/49/895982249.db2.gz JFFSJYYKVIJTPW-OAHLLOKOSA-N -1 3 398.507 3.890 20 0 GHADHM O=S(=O)([N-]CC1(C(F)F)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645689188 914023682 /nfs/dbraw/zinc/02/36/82/914023682.db2.gz KQNCFXKQEDGREP-UHFFFAOYSA-N -1 3 379.734 3.562 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccncc1C(F)(F)F)C1CC1)c1ccc(Cl)nc1 ZINC001185704402 914030410 /nfs/dbraw/zinc/03/04/10/914030410.db2.gz WUZXVQGTDGKANA-CQSZACIVSA-N -1 3 391.802 3.578 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1[O-] ZINC000566281244 896214500 /nfs/dbraw/zinc/21/45/00/896214500.db2.gz PZAWKTZHMXGPPH-ZDUSSCGKSA-N -1 3 382.460 3.649 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nc(C)c(C)[nH]3)nc(=O)c2c1C ZINC000566314357 896233579 /nfs/dbraw/zinc/23/35/79/896233579.db2.gz OMGSCFBRSQONLT-JTQLQIEISA-N -1 3 392.506 3.663 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(-n3cccc3)c2)c(Cl)c1 ZINC001136162104 896238334 /nfs/dbraw/zinc/23/83/34/896238334.db2.gz FXKBQKSUHILSAA-UHFFFAOYSA-N -1 3 389.864 3.755 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826219274 896397242 /nfs/dbraw/zinc/39/72/42/896397242.db2.gz XHCBABPOBRJGHF-QVKFZJNVSA-N -1 3 386.459 3.711 20 0 GHADHM COc1ccccc1[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826219274 896397262 /nfs/dbraw/zinc/39/72/62/896397262.db2.gz XHCBABPOBRJGHF-QVKFZJNVSA-N -1 3 386.459 3.711 20 0 GHADHM CSCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826228642 896568059 /nfs/dbraw/zinc/56/80/59/896568059.db2.gz VXDYDRGZWQTUBV-CQSZACIVSA-N -1 3 381.505 3.854 20 0 GHADHM CSCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826228642 896568072 /nfs/dbraw/zinc/56/80/72/896568072.db2.gz VXDYDRGZWQTUBV-CQSZACIVSA-N -1 3 381.505 3.854 20 0 GHADHM Cc1c(Cl)cnc(NCCc2coc(-c3ccc(F)cc3)n2)c1-c1nnn[n-]1 ZINC000826240406 896594704 /nfs/dbraw/zinc/59/47/04/896594704.db2.gz QRWASRGXQCUSFC-UHFFFAOYSA-N -1 3 399.817 3.672 20 0 GHADHM Cc1c(Cl)cnc(NCCc2coc(-c3ccc(F)cc3)n2)c1-c1nn[n-]n1 ZINC000826240406 896594713 /nfs/dbraw/zinc/59/47/13/896594713.db2.gz QRWASRGXQCUSFC-UHFFFAOYSA-N -1 3 399.817 3.672 20 0 GHADHM COc1ccc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cc1Br ZINC001136216147 896651546 /nfs/dbraw/zinc/65/15/46/896651546.db2.gz ZFNLWAYEOMAONX-JTQLQIEISA-N -1 3 382.229 3.722 20 0 GHADHM Cc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC001136219789 896714072 /nfs/dbraw/zinc/71/40/72/896714072.db2.gz CIGICGCZFMGTOI-MRXNPFEDSA-N -1 3 375.222 3.595 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1cccc(OC(F)F)c1 ZINC001136230940 896739636 /nfs/dbraw/zinc/73/96/36/896739636.db2.gz ZOAGRKABVNIHLE-VIFPVBQESA-N -1 3 394.324 3.899 20 0 GHADHM Cc1cc(Cl)ccc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826267832 896789994 /nfs/dbraw/zinc/78/99/94/896789994.db2.gz YKHOGXKFNZVDNX-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1cc(Cl)ccc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826267832 896790001 /nfs/dbraw/zinc/79/00/01/896790001.db2.gz YKHOGXKFNZVDNX-UHFFFAOYSA-N -1 3 379.855 3.841 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1O ZINC000826282490 896867947 /nfs/dbraw/zinc/86/79/47/896867947.db2.gz QOOCJHMGSLRIEY-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000826286772 896910888 /nfs/dbraw/zinc/91/08/88/896910888.db2.gz PNHGUHYOWHSEFH-MRXNPFEDSA-N -1 3 398.470 3.657 20 0 GHADHM Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000826286772 896910897 /nfs/dbraw/zinc/91/08/97/896910897.db2.gz PNHGUHYOWHSEFH-MRXNPFEDSA-N -1 3 398.470 3.657 20 0 GHADHM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567168909 896931801 /nfs/dbraw/zinc/93/18/01/896931801.db2.gz PWLJACBPVLPJMU-QKNQBKEWSA-N -1 3 392.499 3.839 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc4sccc4c([O-])c3)[C@@H]2C1 ZINC000819690932 896948598 /nfs/dbraw/zinc/94/85/98/896948598.db2.gz NZMRSFWQRRAJMT-IUODEOHRSA-N -1 3 388.489 3.688 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000820116625 897171848 /nfs/dbraw/zinc/17/18/48/897171848.db2.gz KXWGTCFGHONZON-DENIHFKCSA-N -1 3 390.491 3.517 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000820116625 897171855 /nfs/dbraw/zinc/17/18/55/897171855.db2.gz KXWGTCFGHONZON-DENIHFKCSA-N -1 3 390.491 3.517 20 0 GHADHM Cc1cncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000567456481 897173189 /nfs/dbraw/zinc/17/31/89/897173189.db2.gz QCAUCXJHSBFOKK-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM CC(C)CCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820074009 897173409 /nfs/dbraw/zinc/17/34/09/897173409.db2.gz XULPGEOKMPVWFX-UHFFFAOYSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC000820157845 897198084 /nfs/dbraw/zinc/19/80/84/897198084.db2.gz AOLXMKSHYHPTFV-UHFFFAOYSA-N -1 3 388.508 3.989 20 0 GHADHM C[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CCCCC1 ZINC000820227119 897250638 /nfs/dbraw/zinc/25/06/38/897250638.db2.gz YUVGRJVRLQRMDP-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM C[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCCC1 ZINC000820227119 897250654 /nfs/dbraw/zinc/25/06/54/897250654.db2.gz YUVGRJVRLQRMDP-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM CO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000567692332 897339958 /nfs/dbraw/zinc/33/99/58/897339958.db2.gz VXUJSRLYCLUQFB-ZWKOTPCHSA-N -1 3 382.464 3.579 20 0 GHADHM CCCCC1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)CC1 ZINC001185869895 914158076 /nfs/dbraw/zinc/15/80/76/914158076.db2.gz MSGYAUQREQGICU-UHFFFAOYSA-N -1 3 385.501 3.887 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C(C)(C)C1 ZINC000820741292 897529332 /nfs/dbraw/zinc/52/93/32/897529332.db2.gz BULLGJWYNMOMAD-CQSZACIVSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C(C)(C)C1 ZINC000820741292 897529347 /nfs/dbraw/zinc/52/93/47/897529347.db2.gz BULLGJWYNMOMAD-CQSZACIVSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000820742535 897529389 /nfs/dbraw/zinc/52/93/89/897529389.db2.gz LIAKVKLKFGJZQK-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000820742535 897529396 /nfs/dbraw/zinc/52/93/96/897529396.db2.gz LIAKVKLKFGJZQK-HNNXBMFYSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875902 897601300 /nfs/dbraw/zinc/60/13/00/897601300.db2.gz IEZXUIJFAACQIE-JKSUJKDBSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875902 897601307 /nfs/dbraw/zinc/60/13/07/897601307.db2.gz IEZXUIJFAACQIE-JKSUJKDBSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820988621 897656401 /nfs/dbraw/zinc/65/64/01/897656401.db2.gz GUYIXFNICSHOQR-HNAYVOBHSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820988621 897656411 /nfs/dbraw/zinc/65/64/11/897656411.db2.gz GUYIXFNICSHOQR-HNAYVOBHSA-N -1 3 376.464 3.914 20 0 GHADHM Cc1c([O-])ccc2c(CNc3ccc(NC(=O)NC4CC4)cc3)cc(=O)oc12 ZINC000042667215 897712334 /nfs/dbraw/zinc/71/23/34/897712334.db2.gz ZWSJPQRGXFLGAB-UHFFFAOYSA-N -1 3 379.416 3.703 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821154598 897765498 /nfs/dbraw/zinc/76/54/98/897765498.db2.gz PQZVKLXFPZFKCG-HUUCEWRRSA-N -1 3 394.479 3.729 20 0 GHADHM CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821154598 897765503 /nfs/dbraw/zinc/76/55/03/897765503.db2.gz PQZVKLXFPZFKCG-HUUCEWRRSA-N -1 3 394.479 3.729 20 0 GHADHM CCN(CC)[C@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821175080 897780011 /nfs/dbraw/zinc/78/00/11/897780011.db2.gz CETPVVOBNNCUCA-BEFAXECRSA-N -1 3 379.464 3.554 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1ccc[nH]c1=S ZINC001185929750 914209781 /nfs/dbraw/zinc/20/97/81/914209781.db2.gz JWERNCAMQGDEQZ-UHFFFAOYSA-N -1 3 387.505 3.785 20 0 GHADHM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([O-])c(F)c2)NC(=S)N1 ZINC000133074576 898115348 /nfs/dbraw/zinc/11/53/48/898115348.db2.gz WJRXRMKQGIENHI-MRXNPFEDSA-N -1 3 391.855 3.616 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(F)F)c1 ZINC001136532761 898197632 /nfs/dbraw/zinc/19/76/32/898197632.db2.gz YYUFIHDGSCECKK-UHFFFAOYSA-N -1 3 384.386 3.649 20 0 GHADHM FC(F)(F)c1ccc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC000826369265 898201160 /nfs/dbraw/zinc/20/11/60/898201160.db2.gz USSJDVOUUCSDFU-UHFFFAOYSA-N -1 3 392.288 3.846 20 0 GHADHM FC(F)(F)c1ccc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC000826369265 898201176 /nfs/dbraw/zinc/20/11/76/898201176.db2.gz USSJDVOUUCSDFU-UHFFFAOYSA-N -1 3 392.288 3.846 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826368998 898202964 /nfs/dbraw/zinc/20/29/64/898202964.db2.gz IXSCZIYILFEGKI-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc(-n2ccc(NCc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826368998 898202979 /nfs/dbraw/zinc/20/29/79/898202979.db2.gz IXSCZIYILFEGKI-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)c1 ZINC000826368888 898203567 /nfs/dbraw/zinc/20/35/67/898203567.db2.gz FDKYADYKCQGHCQ-CYBMUJFWSA-N -1 3 399.380 3.527 20 0 GHADHM FC(F)(F)c1cccc([C@@H]2CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)c1 ZINC000826368888 898203580 /nfs/dbraw/zinc/20/35/80/898203580.db2.gz FDKYADYKCQGHCQ-CYBMUJFWSA-N -1 3 399.380 3.527 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)OCc2nnc(-c3ccccc3[O-])o2)c1 ZINC000883938048 898209013 /nfs/dbraw/zinc/20/90/13/898209013.db2.gz UZQQEVATFURCOH-UHFFFAOYSA-N -1 3 382.416 3.996 20 0 GHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ncc(-c3cccc(F)c3)o2)n1 ZINC000822192919 898250344 /nfs/dbraw/zinc/25/03/44/898250344.db2.gz FTGQIDTWIFLVSX-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ncc(-c3cccc(F)c3)o2)n1 ZINC000822192919 898250377 /nfs/dbraw/zinc/25/03/77/898250377.db2.gz FTGQIDTWIFLVSX-UHFFFAOYSA-N -1 3 382.424 3.965 20 0 GHADHM O=C(c1ccc(Br)cc1[O-])N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001170983491 898278290 /nfs/dbraw/zinc/27/82/90/898278290.db2.gz HLKGFCCNPLJRSG-GOSISDBHSA-N -1 3 398.260 3.666 20 0 GHADHM Cc1cccc2[nH]c(COC(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000822331480 898306277 /nfs/dbraw/zinc/30/62/77/898306277.db2.gz GLVIMFRBDBWRFU-UHFFFAOYSA-N -1 3 391.431 3.557 20 0 GHADHM Cc1cccc2[nH]c(COC(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000822331480 898306299 /nfs/dbraw/zinc/30/62/99/898306299.db2.gz GLVIMFRBDBWRFU-UHFFFAOYSA-N -1 3 391.431 3.557 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822299164 898311044 /nfs/dbraw/zinc/31/10/44/898311044.db2.gz ADOCLWASDIQGCP-HXUWFJFHSA-N -1 3 390.491 3.920 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822299164 898311055 /nfs/dbraw/zinc/31/10/55/898311055.db2.gz ADOCLWASDIQGCP-HXUWFJFHSA-N -1 3 390.491 3.920 20 0 GHADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccc2c(c1)CCC(=O)N2 ZINC001136604015 898494960 /nfs/dbraw/zinc/49/49/60/898494960.db2.gz RYCTZQXBWKPGKO-NSHDSACASA-N -1 3 395.846 3.557 20 0 GHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000569518617 898740300 /nfs/dbraw/zinc/74/03/00/898740300.db2.gz SGXXSCBVDAVABG-UHFFFAOYSA-N -1 3 396.509 3.830 20 0 GHADHM O=C(O[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)c1cccc2nn[n-]c21 ZINC000800207743 898743520 /nfs/dbraw/zinc/74/35/20/898743520.db2.gz FKIJJXHVUYWREZ-LJQANCHMSA-N -1 3 397.394 3.954 20 0 GHADHM O=C(O[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)c1cccc2[n-]nnc21 ZINC000800207743 898743529 /nfs/dbraw/zinc/74/35/29/898743529.db2.gz FKIJJXHVUYWREZ-LJQANCHMSA-N -1 3 397.394 3.954 20 0 GHADHM O=C(O[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000800207743 898743534 /nfs/dbraw/zinc/74/35/34/898743534.db2.gz FKIJJXHVUYWREZ-LJQANCHMSA-N -1 3 397.394 3.954 20 0 GHADHM O=C(O[C@H](c1nc(-c2ccccc2)no1)c1ccccc1)c1cccc2nn[n-]c21 ZINC000800207740 898743766 /nfs/dbraw/zinc/74/37/66/898743766.db2.gz FKIJJXHVUYWREZ-IBGZPJMESA-N -1 3 397.394 3.954 20 0 GHADHM O=C(O[C@H](c1nc(-c2ccccc2)no1)c1ccccc1)c1cccc2[n-]nnc21 ZINC000800207740 898743775 /nfs/dbraw/zinc/74/37/75/898743775.db2.gz FKIJJXHVUYWREZ-IBGZPJMESA-N -1 3 397.394 3.954 20 0 GHADHM O=C(O[C@H](c1nc(-c2ccccc2)no1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000800207740 898743778 /nfs/dbraw/zinc/74/37/78/898743778.db2.gz FKIJJXHVUYWREZ-IBGZPJMESA-N -1 3 397.394 3.954 20 0 GHADHM CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000569542471 898768167 /nfs/dbraw/zinc/76/81/67/898768167.db2.gz HCQCNULMOMSEON-OAQYLSRUSA-N -1 3 384.480 3.971 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC001136662450 898800660 /nfs/dbraw/zinc/80/06/60/898800660.db2.gz KKFOKXLEHCHSIU-IBGZPJMESA-N -1 3 380.510 3.537 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000331460078 898910492 /nfs/dbraw/zinc/91/04/92/898910492.db2.gz FGQUNVQRSFBLKQ-SAZUREKKSA-N -1 3 393.915 3.984 20 0 GHADHM Cc1oc2ccc(NC(=O)N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)cc2c1C ZINC000289685273 914296362 /nfs/dbraw/zinc/29/63/62/914296362.db2.gz JSRKUWXJJMOUDS-CYBMUJFWSA-N -1 3 397.397 3.972 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1F ZINC000823331187 898968885 /nfs/dbraw/zinc/96/88/85/898968885.db2.gz BYVSNZNJISXROW-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1F ZINC000823331187 898968892 /nfs/dbraw/zinc/96/88/92/898968892.db2.gz BYVSNZNJISXROW-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823333150 898970529 /nfs/dbraw/zinc/97/05/29/898970529.db2.gz YQRFOMRXMJPTKK-JXFKEZNVSA-N -1 3 379.851 3.753 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000823333150 898970537 /nfs/dbraw/zinc/97/05/37/898970537.db2.gz YQRFOMRXMJPTKK-JXFKEZNVSA-N -1 3 379.851 3.753 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)cc1 ZINC000133817215 899068210 /nfs/dbraw/zinc/06/82/10/899068210.db2.gz QJRYLFCGOHMTOQ-UHFFFAOYSA-N -1 3 390.530 3.552 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(-c2cccnc2)no1 ZINC000331699828 899088730 /nfs/dbraw/zinc/08/87/30/899088730.db2.gz VNUWVECIARQAGM-INIZCTEOSA-N -1 3 392.525 3.719 20 0 GHADHM CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001275499037 914315735 /nfs/dbraw/zinc/31/57/35/914315735.db2.gz VBVZLXZGTFEGDL-UHFFFAOYSA-N -1 3 389.256 3.850 20 0 GHADHM COC(=O)C[C@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115190779 899166808 /nfs/dbraw/zinc/16/68/08/899166808.db2.gz WRUNPTXQVKTXDO-VHSXEESVSA-N -1 3 378.475 3.990 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C/C=C\c2ccc(Br)cc2)n1 ZINC000823777173 899244966 /nfs/dbraw/zinc/24/49/66/899244966.db2.gz QSEICBLHHXFBEL-PLNGDYQASA-N -1 3 390.281 3.708 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)nc2)sc1Cl ZINC000331904284 899257343 /nfs/dbraw/zinc/25/73/43/899257343.db2.gz WREMEUADNXIEOJ-UHFFFAOYSA-N -1 3 385.942 3.574 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116221164 899258562 /nfs/dbraw/zinc/25/85/62/899258562.db2.gz HIKNQCVJQMXKGX-SFHVURJKSA-N -1 3 396.535 3.748 20 0 GHADHM Brc1ccc(N[C@@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823831886 899261806 /nfs/dbraw/zinc/26/18/06/899261806.db2.gz GFYXSNZMBSFVLK-GFCCVEGCSA-N -1 3 378.274 3.533 20 0 GHADHM Brc1ccc(N[C@@H]2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823831886 899261814 /nfs/dbraw/zinc/26/18/14/899261814.db2.gz GFYXSNZMBSFVLK-GFCCVEGCSA-N -1 3 378.274 3.533 20 0 GHADHM Brc1ccc(NCCCc2nc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000823832852 899271577 /nfs/dbraw/zinc/27/15/77/899271577.db2.gz WULKHGLHBCZKEX-UHFFFAOYSA-N -1 3 398.268 3.550 20 0 GHADHM Brc1ccc(NCCCc2nc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823832852 899271594 /nfs/dbraw/zinc/27/15/94/899271594.db2.gz WULKHGLHBCZKEX-UHFFFAOYSA-N -1 3 398.268 3.550 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC001136799528 899326348 /nfs/dbraw/zinc/32/63/48/899326348.db2.gz SUMXTMQTLMNAKU-WOSRLPQWSA-N -1 3 395.459 3.547 20 0 GHADHM CC(C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)=C1CCCC1 ZINC000824046262 899360097 /nfs/dbraw/zinc/36/00/97/899360097.db2.gz RRUHVEVUAPPBGN-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000824120114 899392052 /nfs/dbraw/zinc/39/20/52/899392052.db2.gz YVZUGLWBUISTJU-UHFFFAOYSA-N -1 3 379.392 3.636 20 0 GHADHM CC(C)(C)Oc1c(F)cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000824120114 899392062 /nfs/dbraw/zinc/39/20/62/899392062.db2.gz YVZUGLWBUISTJU-UHFFFAOYSA-N -1 3 379.392 3.636 20 0 GHADHM CC(C)Oc1ccccc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824334508 899536042 /nfs/dbraw/zinc/53/60/42/899536042.db2.gz WIILOZJIABHCDW-UHFFFAOYSA-N -1 3 389.463 3.667 20 0 GHADHM CC(C)Oc1ccccc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824334508 899536048 /nfs/dbraw/zinc/53/60/48/899536048.db2.gz WIILOZJIABHCDW-UHFFFAOYSA-N -1 3 389.463 3.667 20 0 GHADHM CCOC(=O)c1nc(C2CCN(C(=O)C[C@H]3C[C@H](C)CC(C)(C)C3)CC2)n[n-]1 ZINC000332334435 899585172 /nfs/dbraw/zinc/58/51/72/899585172.db2.gz UFFCAKBPKNXVIS-LSDHHAIUSA-N -1 3 390.528 3.540 20 0 GHADHM CCOC(=O)c1nnc(C2CCN(C(=O)C[C@H]3C[C@H](C)CC(C)(C)C3)CC2)[n-]1 ZINC000332334435 899585179 /nfs/dbraw/zinc/58/51/79/899585179.db2.gz UFFCAKBPKNXVIS-LSDHHAIUSA-N -1 3 390.528 3.540 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000570780796 899586833 /nfs/dbraw/zinc/58/68/33/899586833.db2.gz BHDFMWSOBWGKQN-HXUWFJFHSA-N -1 3 392.499 3.600 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000570813268 899610642 /nfs/dbraw/zinc/61/06/42/899610642.db2.gz DDJNAVXHQZQHQX-INIZCTEOSA-N -1 3 397.866 3.957 20 0 GHADHM C[C@H](NC(=O)CCc1cccnc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477996 899622501 /nfs/dbraw/zinc/62/25/01/899622501.db2.gz FEJCHKNLDWPLBQ-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](NC(=O)CCc1cccnc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477996 899622510 /nfs/dbraw/zinc/62/25/10/899622510.db2.gz FEJCHKNLDWPLBQ-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521220 899655410 /nfs/dbraw/zinc/65/54/10/899655410.db2.gz IGEVLXNLXOTBSJ-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM C[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521220 899655417 /nfs/dbraw/zinc/65/54/17/899655417.db2.gz IGEVLXNLXOTBSJ-LLVKDONJSA-N -1 3 394.822 3.666 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000332575139 899774310 /nfs/dbraw/zinc/77/43/10/899774310.db2.gz YOOGPMHJKQAIIV-UHFFFAOYSA-N -1 3 385.439 3.645 20 0 GHADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824764512 899793093 /nfs/dbraw/zinc/79/30/93/899793093.db2.gz WRPNLBLABJSKAT-XIKOKIGWSA-N -1 3 387.846 3.794 20 0 GHADHM C[C@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824764512 899793094 /nfs/dbraw/zinc/79/30/94/899793094.db2.gz WRPNLBLABJSKAT-XIKOKIGWSA-N -1 3 387.846 3.794 20 0 GHADHM COc1cc(CCc2cc(NC(=O)c3ccc(C)c(C)c3[O-])n[nH]2)cc(OC)c1 ZINC001136940347 899801506 /nfs/dbraw/zinc/80/15/06/899801506.db2.gz SWAUNPUMRUDIPY-UHFFFAOYSA-N -1 3 395.459 3.787 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C)c(C)c1Cl ZINC001186249279 914384999 /nfs/dbraw/zinc/38/49/99/914384999.db2.gz SMVJWLQUFMLPQI-ONGXEEELSA-N -1 3 379.931 3.601 20 0 GHADHM CC1(C)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCc2ccccc21 ZINC000824827012 899847625 /nfs/dbraw/zinc/84/76/25/899847625.db2.gz WIKOINWNHUJATF-UHFFFAOYSA-N -1 3 382.410 3.782 20 0 GHADHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000333012407 899891345 /nfs/dbraw/zinc/89/13/45/899891345.db2.gz UMVFUOOPZVJFKZ-QGZVFWFLSA-N -1 3 387.277 3.695 20 0 GHADHM CO[C@H](CNC(=O)c1cc([O-])cc(Br)c1)c1cccc(Cl)c1 ZINC001136980613 899946755 /nfs/dbraw/zinc/94/67/55/899946755.db2.gz NRWRBGUVJUGDFB-OAHLLOKOSA-N -1 3 384.657 3.926 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000825081630 899967816 /nfs/dbraw/zinc/96/78/16/899967816.db2.gz KVIWDUZACLEXJH-CQSZACIVSA-N -1 3 396.499 3.785 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000825081630 899967823 /nfs/dbraw/zinc/96/78/23/899967823.db2.gz KVIWDUZACLEXJH-CQSZACIVSA-N -1 3 396.499 3.785 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1C ZINC000825114956 899986242 /nfs/dbraw/zinc/98/62/42/899986242.db2.gz SBJSLRXSUWJJAR-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM CCC(CC)n1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1C ZINC000825114956 899986248 /nfs/dbraw/zinc/98/62/48/899986248.db2.gz SBJSLRXSUWJJAR-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM O=c1cc(C(F)F)nc(SC[C@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC000571930518 900013297 /nfs/dbraw/zinc/01/32/97/900013297.db2.gz RDNYRRVZSRHESR-CQSZACIVSA-N -1 3 381.448 3.503 20 0 GHADHM O=C(OCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000825277266 900066207 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20 0 GHADHM CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000843894542 900298235 /nfs/dbraw/zinc/29/82/35/900298235.db2.gz FXDAUJJOLSINOI-LLVKDONJSA-N -1 3 393.336 3.552 20 0 GHADHM Cc1nc(C2CCC2)sc1CC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884808556 900304261 /nfs/dbraw/zinc/30/42/61/900304261.db2.gz WIPHXRGEFUOGRG-UHFFFAOYSA-N -1 3 385.445 3.761 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1([C@H]2CCNc3ccccc32)CC1 ZINC000885115107 900385007 /nfs/dbraw/zinc/38/50/07/900385007.db2.gz LVIYITYAQGZWHO-INIZCTEOSA-N -1 3 391.427 3.865 20 0 GHADHM C[C@H](c1cccnc1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000573139351 900387768 /nfs/dbraw/zinc/38/77/68/900387768.db2.gz QUOXSLZKAQTEMW-LLVKDONJSA-N -1 3 386.249 3.519 20 0 GHADHM CCCCc1ncc(CN2CC[C@@]3(CCOC3)C2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143747964 900473797 /nfs/dbraw/zinc/47/37/97/900473797.db2.gz FILCJKIVXUEBFL-HSZRJFAPSA-N -1 3 397.519 3.585 20 0 GHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cnn21 ZINC000885442405 900495396 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GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC(F)(F)C1 ZINC000826457285 900648584 /nfs/dbraw/zinc/64/85/84/900648584.db2.gz VAIXDBZEYWTZTD-UHFFFAOYSA-N -1 3 386.362 3.532 20 0 GHADHM COC[C@@H](NCc1cccc(Br)c1SC(C)(C)C)C(=O)[O-] ZINC000844295044 900685186 /nfs/dbraw/zinc/68/51/86/900685186.db2.gz ZFEMOHBFESWFRT-GFCCVEGCSA-N -1 3 376.316 3.529 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000886088422 900714848 /nfs/dbraw/zinc/71/48/48/900714848.db2.gz ICLYQEGOTRUZKF-JKSUJKDBSA-N -1 3 394.487 3.664 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)N1CCC=C(F)C1 ZINC000826473906 900828412 /nfs/dbraw/zinc/82/84/12/900828412.db2.gz SSZLXNKPCIYLHH-UHFFFAOYSA-N -1 3 381.436 3.717 20 0 GHADHM O=C(c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)N1CCC=C(F)C1 ZINC000826473906 900828423 /nfs/dbraw/zinc/82/84/23/900828423.db2.gz SSZLXNKPCIYLHH-UHFFFAOYSA-N -1 3 381.436 3.717 20 0 GHADHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)C2CC2)no1 ZINC000574509373 900915220 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392.333 3.874 20 0 GHADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1F ZINC000132241444 903226390 /nfs/dbraw/zinc/22/63/90/903226390.db2.gz ZRCKKVUFYSODSE-UHFFFAOYSA-N -1 3 391.468 3.575 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1F ZINC001186642166 914700604 /nfs/dbraw/zinc/70/06/04/914700604.db2.gz PUSDOXVFBFDWRW-UHFFFAOYSA-N -1 3 388.420 3.609 20 0 GHADHM O=S(=O)([N-]c1cc(F)ncc1F)c1ccc(OCc2ccccc2)cc1 ZINC001186642937 914702901 /nfs/dbraw/zinc/70/29/01/914702901.db2.gz ZRKMCSYPFYENMA-UHFFFAOYSA-N -1 3 376.384 3.740 20 0 GHADHM Cc1cc(CO)cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC001186655091 914709570 /nfs/dbraw/zinc/70/95/70/914709570.db2.gz CIJDAXYNZXQJLF-UHFFFAOYSA-N -1 3 383.469 3.867 20 0 GHADHM Cc1sc(NC(=O)C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)nc1C(C)C ZINC000578027065 903456040 /nfs/dbraw/zinc/45/60/40/903456040.db2.gz MKOMCIKXWXLHGR-UHFFFAOYSA-N -1 3 397.504 3.581 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000290550623 914729464 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3.803 20 0 GHADHM COc1cc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc(OC)c1[O-] ZINC000646673411 914763292 /nfs/dbraw/zinc/76/32/92/914763292.db2.gz SEXYAGJWPDLGRY-UHFFFAOYSA-N -1 3 395.377 3.743 20 0 GHADHM Cc1c(F)c(C)c(F)c(C(=O)Nc2ncc([O-])cc2Br)c1F ZINC001148753366 904198775 /nfs/dbraw/zinc/19/87/75/904198775.db2.gz IXIBAWKOYIPCLV-UHFFFAOYSA-N -1 3 375.144 3.836 20 0 GHADHM O=S(=O)([N-]c1cc(O)ccc1F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186777655 914799908 /nfs/dbraw/zinc/79/99/08/914799908.db2.gz VCBVDZYOIRPHRP-UHFFFAOYSA-N -1 3 385.722 3.884 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4cc(C)ccn4)CC3)nc2)n1 ZINC000579047473 904312765 /nfs/dbraw/zinc/31/27/65/904312765.db2.gz DDIOXWXZPRTMID-UHFFFAOYSA-N -1 3 391.475 3.558 20 0 GHADHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2)n1 ZINC000579124727 904364035 /nfs/dbraw/zinc/36/40/35/904364035.db2.gz QXFMIWJGBITGKU-UHFFFAOYSA-N -1 3 393.472 3.870 20 0 GHADHM CN(C(=O)c1nnc2ccccc2c1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000187935873 904852262 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GHADHM CCN(CC)[C@@H](CNC(=O)CSc1n[n-]c(=S)s1)c1ccsc1 ZINC000174989170 905412190 /nfs/dbraw/zinc/41/21/90/905412190.db2.gz OJQJOHZDKZFYFW-NSHDSACASA-N -1 3 388.609 3.554 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000175767328 905662337 /nfs/dbraw/zinc/66/23/37/905662337.db2.gz UUUXDMJGHJSSDM-UHFFFAOYSA-N -1 3 382.247 3.518 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc2cc(Br)ccc2s1 ZINC000628032110 905907609 /nfs/dbraw/zinc/90/76/09/905907609.db2.gz MWHSPRJFYLWTMK-LBPRGKRZSA-N -1 3 392.278 3.913 20 0 GHADHM CC[C@@H](CCc1ccccc1)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000628609071 906212968 /nfs/dbraw/zinc/21/29/68/906212968.db2.gz GRRMOJGJBOBUEI-INIZCTEOSA-N -1 3 394.471 3.687 20 0 GHADHM CC(C)COC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000178269445 906319765 /nfs/dbraw/zinc/31/97/65/906319765.db2.gz JSTYIIMDCRWTGO-UHFFFAOYSA-N -1 3 385.302 3.501 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)c1 ZINC000629009666 906435699 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388.445 3.949 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](CC(=O)[O-])C1CCCC1 ZINC000630472016 907298510 /nfs/dbraw/zinc/29/85/10/907298510.db2.gz ICQDVMHEIOSJFV-HNNXBMFYSA-N -1 3 387.929 3.504 20 0 GHADHM CCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Br ZINC000777402778 907516136 /nfs/dbraw/zinc/51/61/36/907516136.db2.gz ORNBWFHNOJFTSK-GXDHUFHOSA-N -1 3 387.233 3.571 20 0 GHADHM Brc1cccc(-n2nccc2Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175427592 907546195 /nfs/dbraw/zinc/54/61/95/907546195.db2.gz NRRJDKHKMPPFNB-UHFFFAOYSA-N -1 3 382.225 3.559 20 0 GHADHM CCCc1ccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)s1 ZINC000901543982 921341704 /nfs/dbraw/zinc/34/17/04/921341704.db2.gz LRPGHOJUYZEJTJ-UHFFFAOYSA-N -1 3 384.452 3.765 20 0 GHADHM CC1(C)c2ccccc2-c2ccc([N-]S(=O)(=O)c3ccc(N)c(N)c3)cc21 ZINC001175701151 907673979 /nfs/dbraw/zinc/67/39/79/907673979.db2.gz JTYMKFGWCPXKBZ-UHFFFAOYSA-N -1 3 379.485 3.958 20 0 GHADHM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)c2)o1 ZINC001175998342 907866634 /nfs/dbraw/zinc/86/66/34/907866634.db2.gz VURFMNXVGYTOTE-UHFFFAOYSA-N -1 3 399.259 3.735 20 0 GHADHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cccc(O)c1[O-] ZINC000193086950 908075797 /nfs/dbraw/zinc/07/57/97/908075797.db2.gz AAFBVPYTIRKJTN-UHFFFAOYSA-N -1 3 376.250 3.664 20 0 GHADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000901592284 921379497 /nfs/dbraw/zinc/37/94/97/921379497.db2.gz DANFIAXYCGHKNM-UHFFFAOYSA-N -1 3 380.286 3.772 20 0 GHADHM CCN(CC)C(=O)c1cc(Nc2ncc(Br)cc2[O-])ccc1F ZINC001176513405 908148822 /nfs/dbraw/zinc/14/88/22/908148822.db2.gz BIDXMXQHWWFAMW-UHFFFAOYSA-N -1 3 382.233 3.914 20 0 GHADHM CC(C)c1nsc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n1 ZINC001177128773 908402268 /nfs/dbraw/zinc/40/22/68/908402268.db2.gz QMYJFGFGMJHWSN-UHFFFAOYSA-N -1 3 398.366 3.654 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ncc([O-])cc1Br ZINC001177307603 908537028 /nfs/dbraw/zinc/53/70/28/908537028.db2.gz LOIIKDPQHDDRJK-UHFFFAOYSA-N -1 3 388.221 3.694 20 0 GHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001177627683 908680332 /nfs/dbraw/zinc/68/03/32/908680332.db2.gz LJKSZOOWSOJZOA-JTQLQIEISA-N -1 3 396.672 3.618 20 0 GHADHM CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192627934 908805984 /nfs/dbraw/zinc/80/59/84/908805984.db2.gz DTMWYCQBISMRHD-HNNXBMFYSA-N -1 3 388.537 3.630 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(O)(Cc2ccccc2F)CC1 ZINC000366277252 921446621 /nfs/dbraw/zinc/44/66/21/921446621.db2.gz WQDKLZWPLPYTCJ-UHFFFAOYSA-N -1 3 379.431 3.894 20 0 GHADHM CC[C@@H](C)NC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194502815 908949238 /nfs/dbraw/zinc/94/92/38/908949238.db2.gz YGNOJVPLJZCUFI-MNOVXSKESA-N -1 3 391.518 3.954 20 0 GHADHM COc1cccc([C@H](C[N-]C(=O)C(F)(F)F)c2c[nH]c3ccccc32)c1OC ZINC000195526893 909016081 /nfs/dbraw/zinc/01/60/81/909016081.db2.gz FAFKOXXYMBRWAO-HNNXBMFYSA-N -1 3 392.377 3.996 20 0 GHADHM COc1ccccc1[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nccn1C ZINC000366306388 921481129 /nfs/dbraw/zinc/48/11/29/921481129.db2.gz UPYGYRNGTJABMR-NRFANRHFSA-N -1 3 387.439 3.807 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2cccc(C)c2OCc2ccccc2)c(=O)[n-]1 ZINC001178984708 909345644 /nfs/dbraw/zinc/34/56/44/909345644.db2.gz GQCMVGYLGNIJHT-UHFFFAOYSA-N -1 3 377.444 3.868 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c(=O)[n-]1 ZINC000266974083 909355646 /nfs/dbraw/zinc/35/56/46/909355646.db2.gz UYTKHNDJXADDQJ-AWEZNQCLSA-N -1 3 376.460 3.671 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)n1 ZINC000636113125 909432929 /nfs/dbraw/zinc/43/29/29/909432929.db2.gz UDWCBIRCQJUVTF-JSGCOSHPSA-N -1 3 377.847 3.828 20 0 GHADHM C[C@@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000773810230 909453974 /nfs/dbraw/zinc/45/39/74/909453974.db2.gz VFYCBRQCSXDKTD-GDBMZVCRSA-N -1 3 394.487 3.758 20 0 GHADHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636317961 909535796 /nfs/dbraw/zinc/53/57/96/909535796.db2.gz NRZATLJYDBAHME-CQSZACIVSA-N -1 3 383.492 3.831 20 0 GHADHM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318923 909537148 /nfs/dbraw/zinc/53/71/48/909537148.db2.gz DZPDQWCWOHGOJJ-LBPRGKRZSA-N -1 3 375.469 3.633 20 0 GHADHM CN(c1nc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cs1)c1ccccc1 ZINC000636322710 909543352 /nfs/dbraw/zinc/54/33/52/909543352.db2.gz IUBNUTZLEMJQIS-UHFFFAOYSA-N -1 3 395.488 3.604 20 0 GHADHM O=C(CCc1ccccc1C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323539 909543683 /nfs/dbraw/zinc/54/36/83/909543683.db2.gz NFNFDAAPPCJUDO-UHFFFAOYSA-N -1 3 379.382 3.718 20 0 GHADHM Nc1c(Cl)c(F)cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c1Cl ZINC000636359797 909563087 /nfs/dbraw/zinc/56/30/87/909563087.db2.gz PBCVLTBGWXUFIJ-ZETCQYMHSA-N -1 3 377.228 3.670 20 0 GHADHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1nn(C(C)C)cc1Cl)=C2 ZINC000901714328 921507415 /nfs/dbraw/zinc/50/74/15/921507415.db2.gz NHCDTQKLZAENFO-UHFFFAOYSA-N -1 3 381.885 3.855 20 0 GHADHM Cc1cc(C)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)s1 ZINC000637369214 909794235 /nfs/dbraw/zinc/79/42/35/909794235.db2.gz PJIJRXBGTBHZIP-UHFFFAOYSA-N -1 3 382.205 3.560 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(Br)cc1F ZINC001212871950 909810121 /nfs/dbraw/zinc/81/01/21/909810121.db2.gz HWVZGLOAUQBUDV-UHFFFAOYSA-N -1 3 398.257 3.949 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1ccc(Br)cc1F ZINC001212871950 909810135 /nfs/dbraw/zinc/81/01/35/909810135.db2.gz HWVZGLOAUQBUDV-UHFFFAOYSA-N -1 3 398.257 3.949 20 0 GHADHM CC(C)O[C@@H](COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000795310997 909821187 /nfs/dbraw/zinc/82/11/87/909821187.db2.gz PEQUIIPQRPXDNL-FPOVZHCZSA-N -1 3 397.471 3.706 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCCSc3cc(Cl)ccc32)c(=O)[n-]1 ZINC000637739543 909954762 /nfs/dbraw/zinc/95/47/62/909954762.db2.gz NWSFYWLJWIOKIV-UHFFFAOYSA-N -1 3 377.897 3.914 20 0 GHADHM COc1cc(CN[C@@H](CC(F)(F)F)C(=O)[O-])ccc1OCc1cccs1 ZINC000901778108 921555791 /nfs/dbraw/zinc/55/57/91/921555791.db2.gz FCLOAAXUJKSJLI-ZDUSSCGKSA-N -1 3 389.395 3.831 20 0 GHADHM C[S@@](=O)(=NC(=O)c1c[n-]nc1-c1ccco1)c1cccc(Br)c1 ZINC001180602941 910266526 /nfs/dbraw/zinc/26/65/26/910266526.db2.gz NEMWUFKKYKSEBM-QHCPKHFHSA-N -1 3 394.250 3.729 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)[n-]n1 ZINC001181169814 910579782 /nfs/dbraw/zinc/57/97/82/910579782.db2.gz PDJPYZKMLFFECT-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)n[n-]1 ZINC001181169814 910579791 /nfs/dbraw/zinc/57/97/91/910579791.db2.gz PDJPYZKMLFFECT-UHFFFAOYSA-N -1 3 381.354 3.666 20 0 GHADHM CCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H](C)c1cccnc1 ZINC000640292271 910953075 /nfs/dbraw/zinc/95/30/75/910953075.db2.gz JGXXLSOBDZUABA-SNVBAGLBSA-N -1 3 375.782 3.531 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NC1(C(F)(F)F)CCCCC1 ZINC000640303998 910961451 /nfs/dbraw/zinc/96/14/51/910961451.db2.gz XINIRMRMTAMJRF-UHFFFAOYSA-N -1 3 392.731 3.907 20 0 GHADHM CCN(C(=O)N=c1[n-]n(C)cc1Br)[C@H](C)c1cc2ccccc2o1 ZINC000640309450 910963417 /nfs/dbraw/zinc/96/34/17/910963417.db2.gz LUEQHHDTJAICEY-LLVKDONJSA-N -1 3 391.269 3.966 20 0 GHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000640310637 910963823 /nfs/dbraw/zinc/96/38/23/910963823.db2.gz RLHDHDIBOFZHGJ-HNNXBMFYSA-N -1 3 377.286 3.672 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)[n-]1 ZINC000640315951 910965498 /nfs/dbraw/zinc/96/54/98/910965498.db2.gz OWUQATRDJKQJIM-ZDUSSCGKSA-N -1 3 395.276 3.544 20 0 GHADHM COc1ccc([O-])c(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c1 ZINC000273904122 911097995 /nfs/dbraw/zinc/09/79/95/911097995.db2.gz JLOVAFZVULWESM-UHFFFAOYSA-N -1 3 375.425 3.565 20 0 GHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@@H]2CN(C3CC3)CCO2)no1 ZINC000273931292 911117335 /nfs/dbraw/zinc/11/73/35/911117335.db2.gz RHPBMLRAFLQPPL-FQEVSTJZSA-N -1 3 377.444 3.569 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ncc(Cc3ccccc3)s1)c2=O ZINC001182184297 911230085 /nfs/dbraw/zinc/23/00/85/911230085.db2.gz VVGGQOUZXULLLM-UHFFFAOYSA-N -1 3 391.452 3.836 20 0 GHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000274150708 911242156 /nfs/dbraw/zinc/24/21/56/911242156.db2.gz FWBYEJCPAPTWFT-QGZVFWFLSA-N -1 3 377.828 3.894 20 0 GHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000274150708 911242171 /nfs/dbraw/zinc/24/21/71/911242171.db2.gz FWBYEJCPAPTWFT-QGZVFWFLSA-N -1 3 377.828 3.894 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CO)c(Cl)c2)cc1Cl ZINC001212893774 911384083 /nfs/dbraw/zinc/38/40/83/911384083.db2.gz XELPDXUYZUQCPA-UHFFFAOYSA-N -1 3 381.668 3.522 20 0 GHADHM O=S(=O)([N-]c1nn(CC(F)(F)F)cc1Cl)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000641693442 911484432 /nfs/dbraw/zinc/48/44/32/911484432.db2.gz ZCJPIIUVHVVYGB-JQWIXIFHSA-N -1 3 397.781 3.536 20 0 GHADHM C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001182406346 911589846 /nfs/dbraw/zinc/58/98/46/911589846.db2.gz JXOJNBDRJPJXLS-ZDUSSCGKSA-N -1 3 399.443 3.894 20 0 GHADHM O=C(CCc1cccc(OCc2ccccc2)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC001182389071 911601696 /nfs/dbraw/zinc/60/16/96/911601696.db2.gz OGPVJNVBSJJVNN-UHFFFAOYSA-N -1 3 390.365 3.974 20 0 GHADHM O=C(CCc1cccc(OCc2ccccc2)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001182389071 911601703 /nfs/dbraw/zinc/60/17/03/911601703.db2.gz OGPVJNVBSJJVNN-UHFFFAOYSA-N -1 3 390.365 3.974 20 0 GHADHM Cc1csc(C)c1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000901891098 921704201 /nfs/dbraw/zinc/70/42/01/921704201.db2.gz AZXBKDYMWAGQIR-OAQYLSRUSA-N -1 3 377.940 3.698 20 0 GHADHM CC[C@@H](CNC(=O)c1c([O-])cccc1O)Cc1cccc(Br)c1 ZINC001182768488 912037573 /nfs/dbraw/zinc/03/75/73/912037573.db2.gz ORHFNZLXKQCKSK-GFCCVEGCSA-N -1 3 378.266 3.859 20 0 GHADHM CCC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OCc1ccccc1 ZINC001182891107 912118093 /nfs/dbraw/zinc/11/80/93/912118093.db2.gz YZBJPRMAUDAYJG-QGZVFWFLSA-N -1 3 379.378 3.946 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@H](c1ccc(OC)cc1)C(C)C ZINC001182994082 912181210 /nfs/dbraw/zinc/18/12/10/912181210.db2.gz PJZPPOPBDHNYLZ-SFHVURJKSA-N -1 3 375.396 3.705 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(F)ccc1Br ZINC001186951356 914915309 /nfs/dbraw/zinc/91/53/09/914915309.db2.gz DRQLHOYLFJPPTC-GMXVVIOVSA-N -1 3 376.291 3.835 20 0 GHADHM O=S(=O)([N-]c1ccnc(F)c1Br)c1cc2c(s1)CCCC2 ZINC001187184646 915075129 /nfs/dbraw/zinc/07/51/29/915075129.db2.gz GVAMTPAEGZEJRR-UHFFFAOYSA-N -1 3 391.287 3.724 20 0 GHADHM COC[C@@H](C)Oc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000901934901 921751347 /nfs/dbraw/zinc/75/13/47/921751347.db2.gz SFXHRGNOUNNSNO-CQSZACIVSA-N -1 3 390.505 3.635 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC001187466197 915276929 /nfs/dbraw/zinc/27/69/29/915276929.db2.gz MNUHPRJVHPVYPH-UHFFFAOYSA-N -1 3 381.425 3.587 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2ccc(CSC(F)F)o2)C1)C(F)(F)F ZINC000291667387 915308977 /nfs/dbraw/zinc/30/89/77/915308977.db2.gz VYXDISRSQYNNAB-JTQLQIEISA-N -1 3 386.386 3.626 20 0 GHADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799351 915390408 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CC(C)C(C)(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC001188096224 915752699 /nfs/dbraw/zinc/75/26/99/915752699.db2.gz HSSPLBJAXUCSLS-IBGZPJMESA-N -1 3 395.565 3.685 20 0 GHADHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000648747375 915854844 /nfs/dbraw/zinc/85/48/44/915854844.db2.gz ITEUKWWNIFYTGN-AZUAARDMSA-N -1 3 378.472 3.607 20 0 GHADHM CC(=O)c1ccc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC001188320017 915886374 /nfs/dbraw/zinc/88/63/74/915886374.db2.gz QDWYHOYFVWDBLZ-UHFFFAOYSA-N -1 3 386.498 3.534 20 0 GHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1N1CCOCC1 ZINC000648841371 915904688 /nfs/dbraw/zinc/90/46/88/915904688.db2.gz UFFXHRDYCNUOQP-UHFFFAOYSA-N -1 3 391.265 3.552 20 0 GHADHM CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1OC ZINC000902007482 921808327 /nfs/dbraw/zinc/80/83/27/921808327.db2.gz KQCKPPCPFZERLK-ZENOOKHLSA-N -1 3 398.297 3.542 20 0 GHADHM C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)CC(F)F ZINC000648961765 915951286 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20 0 GHADHM C[C@@H](C(=O)[O-])C1(NCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000649509787 916199536 /nfs/dbraw/zinc/19/95/36/916199536.db2.gz HBVADKKWWIGKSF-JTQLQIEISA-N -1 3 381.295 3.916 20 0 GHADHM O=S(=O)([N-]c1ncc(F)cc1Cl)c1ccc(Oc2cccnc2)cc1 ZINC001188860017 916237362 /nfs/dbraw/zinc/23/73/62/916237362.db2.gz ROMBSDFKSAJGCQ-UHFFFAOYSA-N -1 3 379.800 3.862 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2ccc(C(C)C)cc21 ZINC001188863639 916240597 /nfs/dbraw/zinc/24/05/97/916240597.db2.gz GBOLOPWZEGKKOU-INIZCTEOSA-N -1 3 381.929 3.861 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)sc1Cl ZINC001189057311 916374187 /nfs/dbraw/zinc/37/41/87/916374187.db2.gz ONVVPWIRYYKIIK-UHFFFAOYSA-N -1 3 378.302 3.777 20 0 GHADHM O=S(=O)([N-]CCC1Cc2ccccc2C1)c1cnc(-c2ccccc2)s1 ZINC001189210720 916465110 /nfs/dbraw/zinc/46/51/10/916465110.db2.gz KUHUTLFAMGLBMK-UHFFFAOYSA-N -1 3 384.526 3.894 20 0 GHADHM O=C(Nc1cncc([O-])c1)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC001189311436 916542582 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Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 ZINC000294560309 916865581 /nfs/dbraw/zinc/86/55/81/916865581.db2.gz DPYBBADTPHMTMA-SJORKVTESA-N -1 3 383.448 3.592 20 0 GHADHM COc1ccccc1-n1nccc1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189754538 916879733 /nfs/dbraw/zinc/87/97/33/916879733.db2.gz BYEPPGGQUISTTJ-UHFFFAOYSA-N -1 3 393.321 3.737 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC(F)(F)C1 ZINC001189765146 916900339 /nfs/dbraw/zinc/90/03/39/916900339.db2.gz HFKXYVKBVGYMCO-UHFFFAOYSA-N -1 3 388.661 3.816 20 0 GHADHM COc1cccc2[nH]cc(CNC(=O)c3cccc(OC(F)(F)F)c3[O-])c21 ZINC001189775182 916909951 /nfs/dbraw/zinc/90/99/51/916909951.db2.gz SCRRAVCOZMOYBP-UHFFFAOYSA-N -1 3 380.322 3.711 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)n1)c1cc(Br)ccc1Cl ZINC001189760339 916930771 /nfs/dbraw/zinc/93/07/71/916930771.db2.gz SNCWFINWVZDPCH-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000650505830 917043120 /nfs/dbraw/zinc/04/31/20/917043120.db2.gz RNPRWQCULKSAHD-PMACEKPBSA-N -1 3 386.536 3.977 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(Br)cnn2C)cc1 ZINC001190424385 917330650 /nfs/dbraw/zinc/33/06/50/917330650.db2.gz ZDCPAPFJPDYMCG-UHFFFAOYSA-N -1 3 386.315 3.671 20 0 GHADHM CC[C@@H]1CCCC[C@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000295694034 917427092 /nfs/dbraw/zinc/42/70/92/917427092.db2.gz JTCCQKLPAMDUET-AEFFLSMTSA-N -1 3 382.508 3.818 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000362848247 917459962 /nfs/dbraw/zinc/45/99/62/917459962.db2.gz RZMDGTNBLQSYCQ-SNVBAGLBSA-N -1 3 390.802 3.795 20 0 GHADHM Cc1sccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000295805843 917511645 /nfs/dbraw/zinc/51/16/45/917511645.db2.gz KVKFOMXNZLZCRC-UHFFFAOYSA-N -1 3 378.881 3.906 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190909850 917658131 /nfs/dbraw/zinc/65/81/31/917658131.db2.gz MGIQCYWBLMKALZ-CVEARBPZSA-N -1 3 388.851 3.740 20 0 GHADHM COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3-c3nnn[n-]3)s2)c1 ZINC001191080776 917745889 /nfs/dbraw/zinc/74/58/89/917745889.db2.gz PJNSUOJIASTNRQ-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3-c3nn[n-]n3)s2)c1 ZINC001191080776 917745903 /nfs/dbraw/zinc/74/59/03/917745903.db2.gz PJNSUOJIASTNRQ-UHFFFAOYSA-N -1 3 392.444 3.560 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000363126648 917808880 /nfs/dbraw/zinc/80/88/80/917808880.db2.gz MBDJYWSJRAVMPX-FQEVSTJZSA-N -1 3 397.471 3.985 20 0 GHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)cc1 ZINC001191248474 917877847 /nfs/dbraw/zinc/87/78/47/917877847.db2.gz CSUZQRWZRVTWAI-UHFFFAOYSA-N -1 3 387.549 3.582 20 0 GHADHM O=S(=O)([N-][C@H](c1cccs1)C1(CO)CCC1)c1ccc(Cl)cc1F ZINC001191403807 917959390 /nfs/dbraw/zinc/95/93/90/917959390.db2.gz AJPBSWQCBZVCSC-OAHLLOKOSA-N -1 3 389.901 3.723 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)CC2CCCC2)c1Br ZINC001191536172 918049526 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20 0 GHADHM O=C(OCc1nc(CCc2ccccc2)no1)c1cc(F)cc(Cl)c1[O-] ZINC000751735457 928355489 /nfs/dbraw/zinc/35/54/89/928355489.db2.gz ROLPJSMSTILYQI-UHFFFAOYSA-N -1 3 376.771 3.710 20 0 GHADHM Cc1cccc2[nH]c(CCC(=O)N=c3cc(-c4cc(F)cc(F)c4)[n-][nH]3)nc21 ZINC000467717731 929333859 /nfs/dbraw/zinc/33/38/59/929333859.db2.gz GQAOAUDAIYJNMQ-UHFFFAOYSA-N -1 3 381.386 3.533 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000544641879 929379932 /nfs/dbraw/zinc/37/99/32/929379932.db2.gz RNUYMFAGTKVLHZ-UHFFFAOYSA-N -1 3 375.780 3.865 20 0 GHADHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000467786198 929411227 /nfs/dbraw/zinc/41/12/27/929411227.db2.gz IDOUZRHQLCMWTI-ZDUSSCGKSA-N -1 3 398.750 3.832 20 0 GHADHM COC(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(OC(F)F)c1 ZINC000469195019 929676408 /nfs/dbraw/zinc/67/64/08/929676408.db2.gz YSYFAWNNKDBOQK-UHFFFAOYSA-N -1 3 397.349 3.881 20 0 GHADHM Cc1cn(-c2ccc(Cl)cc2)[n-]c1=NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000545962765 929724036 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0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000759698323 930457074 /nfs/dbraw/zinc/45/70/74/930457074.db2.gz SBYOYMRRWPUCSZ-WOJGMQOQSA-N -1 3 393.830 3.850 20 0 GHADHM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000780904351 930634108 /nfs/dbraw/zinc/63/41/08/930634108.db2.gz CVGZIFVDZYJYNY-LJQANCHMSA-N -1 3 380.488 3.957 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000780995372 930665176 /nfs/dbraw/zinc/66/51/76/930665176.db2.gz NDOZLDKTDWJUFT-XMMPIXPASA-N -1 3 389.451 3.574 20 0 GHADHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2ccc(O)cc2)n1 ZINC000781432425 930845122 /nfs/dbraw/zinc/84/51/22/930845122.db2.gz WOZVDMYAACSEKW-UHFFFAOYSA-N -1 3 395.419 3.616 20 0 GHADHM O=C(Cc1coc2cc3c(cc12)CCC3)OCc1noc(-c2ccccc2[O-])n1 ZINC000782062910 931078921 /nfs/dbraw/zinc/07/89/21/931078921.db2.gz SYTOVDDZFSMXGS-UHFFFAOYSA-N -1 3 390.395 3.963 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCNC1=O ZINC000782507401 931246863 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0 GHADHM COc1cccc(C[C@H](C)CC(=O)OCc2nnc(-c3ccccc3[O-])o2)c1 ZINC000924303085 931315744 /nfs/dbraw/zinc/31/57/44/931315744.db2.gz LZGGDTYNGWXWDW-AWEZNQCLSA-N -1 3 382.416 3.763 20 0 GHADHM O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782975456 931378558 /nfs/dbraw/zinc/37/85/58/931378558.db2.gz FHAGMNVFQRVGHD-UHFFFAOYSA-N -1 3 394.305 3.627 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1nc(Cc2cccc(F)c2)no1 ZINC000783028262 931389955 /nfs/dbraw/zinc/38/99/55/931389955.db2.gz WNTAZCHPRVQFAR-UHFFFAOYSA-N -1 3 391.402 3.743 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000783095649 931411706 /nfs/dbraw/zinc/41/17/06/931411706.db2.gz IMJYBEDHMUCMIE-UHFFFAOYSA-N -1 3 396.790 3.638 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cc([O-])cc(F)c2)c2nccn2C)c1 ZINC000924622952 931451655 /nfs/dbraw/zinc/45/16/55/931451655.db2.gz LPSLNLKMZWOCBE-ZUOKHONESA-N -1 3 385.439 3.722 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)c(=O)c2c1 ZINC000557470491 931454573 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O=c1[n-]c(CN[C@H](CCO)c2ccc(Cl)cc2)nc2c3ccccc3oc21 ZINC000558152342 931860731 /nfs/dbraw/zinc/86/07/31/931860731.db2.gz HQQHUUYYNOWBJW-OAHLLOKOSA-N -1 3 383.835 3.948 20 0 GHADHM Cc1ccc(-c2nc(C(=O)OCc3noc(-c4ccccc4[O-])n3)cs2)n1C ZINC000784401449 931880928 /nfs/dbraw/zinc/88/09/28/931880928.db2.gz MXHRJCXSQOUEEM-UHFFFAOYSA-N -1 3 396.428 3.570 20 0 GHADHM C[C@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1cn(C)c2ccccc12 ZINC000784801190 932006457 /nfs/dbraw/zinc/00/64/57/932006457.db2.gz PUHWYRJUUVCKCA-ZDUSSCGKSA-N -1 3 377.400 3.781 20 0 GHADHM C[C@@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)c1ccco1 ZINC000796799840 932072317 /nfs/dbraw/zinc/07/23/17/932072317.db2.gz CSVHARIGZNZVEU-SECBINFHSA-N -1 3 377.340 3.588 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1C(C)C ZINC000558792861 932236254 /nfs/dbraw/zinc/23/62/54/932236254.db2.gz FGQOTGSMVWHSKU-AWEZNQCLSA-N -1 3 393.509 3.545 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccnc1Cl ZINC000797837755 932425877 /nfs/dbraw/zinc/42/58/77/932425877.db2.gz TYHLNJSBFGDTLA-JOYOIKCWSA-N -1 3 377.680 3.876 20 0 GHADHM Cc1ccc(CC(=O)[N-]OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000798220816 932567854 /nfs/dbraw/zinc/56/78/54/932567854.db2.gz AQMZMRYANYLUKP-UHFFFAOYSA-N -1 3 376.497 3.623 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1 ZINC000777623531 932595010 /nfs/dbraw/zinc/59/50/10/932595010.db2.gz IIUVJMIRMLXMQO-UHFFFAOYSA-N -1 3 380.491 3.571 20 0 GHADHM O=C([N-]CC1CCN(C(=O)N[C@@H](CC2CC2)c2ccccc2)CC1)C(F)(F)F ZINC000798426192 932642661 /nfs/dbraw/zinc/64/26/61/932642661.db2.gz VDTMSTDKMKTJHV-KRWDZBQOSA-N -1 3 397.441 3.628 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1F ZINC000798761741 932771797 /nfs/dbraw/zinc/77/17/97/932771797.db2.gz GGEFQFMWZQUDES-UHFFFAOYSA-N -1 3 394.443 3.781 20 0 GHADHM CC[C@H](C)[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000799020270 932853423 /nfs/dbraw/zinc/85/34/23/932853423.db2.gz HFRYKYKXTUPBHA-YOEHRIQHSA-N -1 3 384.442 3.733 20 0 GHADHM C[C@@H]1C[C@@H](CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000799022508 932853610 /nfs/dbraw/zinc/85/36/10/932853610.db2.gz IFDAXGRNFVVWAX-HIFRSBDPSA-N -1 3 376.463 3.756 20 0 GHADHM O=C([N-][C@H](c1ncccn1)C1CC1)C(F)(F)c1ccc(Br)cc1 ZINC000928573753 933024318 /nfs/dbraw/zinc/02/43/18/933024318.db2.gz GENIZVOOPXLQFS-ZDUSSCGKSA-N -1 3 382.208 3.598 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)Cc2ccccc2)c1Cl ZINC000799829684 933136263 /nfs/dbraw/zinc/13/62/63/933136263.db2.gz GUDBCDWGLHUXCR-AWEZNQCLSA-N -1 3 388.316 3.574 20 0 GHADHM O=C(Nc1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1F)N1CCCC1 ZINC000799917002 933166923 /nfs/dbraw/zinc/16/69/23/933166923.db2.gz POWUQTNRZMYTMG-KAMYIIQDSA-N -1 3 389.452 3.866 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001115917530 933243665 /nfs/dbraw/zinc/24/36/65/933243665.db2.gz OMGSNXFYDINCMU-FQEVSTJZSA-N -1 3 397.425 3.802 20 0 GHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC001116176233 933384255 /nfs/dbraw/zinc/38/42/55/933384255.db2.gz UGVBCDANZBATJI-UHFFFAOYSA-N -1 3 388.489 3.797 20 0 GHADHM CC(C)(CCC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001116371619 933514781 /nfs/dbraw/zinc/51/47/81/933514781.db2.gz STRGRIWFGDOXCU-UHFFFAOYSA-N -1 3 392.496 3.571 20 0 GHADHM O=C(Nc1cccc(C(=O)Nc2cccc([O-])c2F)c1)c1ccc2[nH]cnc2c1 ZINC001116409455 933543071 /nfs/dbraw/zinc/54/30/71/933543071.db2.gz WWVLOVPHLJMJLP-UHFFFAOYSA-N -1 3 390.374 3.912 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCC(C)(C)CO3)cc2)cc(=O)[n-]1 ZINC000929762368 933620217 /nfs/dbraw/zinc/62/02/17/933620217.db2.gz FUKVYOVYVPFHFH-QGZVFWFLSA-N -1 3 384.480 3.874 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)sc1Cl ZINC001116738842 933728842 /nfs/dbraw/zinc/72/88/42/933728842.db2.gz OKVGAKRCJOCORT-DZGCQCFKSA-N -1 3 388.917 3.573 20 0 GHADHM C[C@H]1CCc2sc(-c3nnc([C@H]([N-]S(C)(=O)=O)C(C)(C)C)o3)cc2C1 ZINC001117217612 933892137 /nfs/dbraw/zinc/89/21/37/933892137.db2.gz NNCVARFRTJINKA-HZMBPMFUSA-N -1 3 383.539 3.559 20 0 GHADHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCN([C@H]4C[C@H]4C)C[C@H](C)C3)n2)cc1 ZINC000561746726 934416247 /nfs/dbraw/zinc/41/62/47/934416247.db2.gz MRQOHVMKWORNSF-QKLQHJQFSA-N -1 3 396.535 3.504 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001122156813 934834707 /nfs/dbraw/zinc/83/47/07/934834707.db2.gz QUEZRYOYZFICSO-GOSISDBHSA-N -1 3 392.507 3.670 20 0 GHADHM CCC1(CC)CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)C1 ZINC001122908601 935025540 /nfs/dbraw/zinc/02/55/40/935025540.db2.gz SHDQYFLMGDJWKB-UHFFFAOYSA-N -1 3 398.536 3.875 20 0 GHADHM CC1(C)CCC(=CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001123371791 935172363 /nfs/dbraw/zinc/17/23/63/935172363.db2.gz GMAICBPGDLQWPT-HSZRJFAPSA-N -1 3 384.520 3.749 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)c1 ZINC001123853985 935308376 /nfs/dbraw/zinc/30/83/76/935308376.db2.gz VDLHVUGKEJMPAR-UHFFFAOYSA-N -1 3 395.503 3.658 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(C(C)C)c(Cl)c3)CC2)n1 ZINC001123960229 935324360 /nfs/dbraw/zinc/32/43/60/935324360.db2.gz IXFQCOBMXRUEPY-UHFFFAOYSA-N -1 3 388.899 3.666 20 0 GHADHM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001137563094 935588613 /nfs/dbraw/zinc/58/86/13/935588613.db2.gz VAAKCWLHCVABNS-UHFFFAOYSA-N -1 3 390.296 3.873 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc2[nH]cc(I)c2c1 ZINC001137580363 935599596 /nfs/dbraw/zinc/59/95/96/935599596.db2.gz DYCWTTKVNNHLRZ-UHFFFAOYSA-N -1 3 396.159 3.870 20 0 GHADHM COc1ccc([C@@H](CO)N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC001137877016 935839900 /nfs/dbraw/zinc/83/99/00/935839900.db2.gz FZNLLFMERDOEPC-JOCHJYFZSA-N -1 3 391.467 3.797 20 0 GHADHM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1 ZINC000829668832 935842988 /nfs/dbraw/zinc/84/29/88/935842988.db2.gz UBBDKWBJBWRVTK-UHFFFAOYSA-N -1 3 387.505 3.682 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3csc(C4CCCCC4)c3)CC2)n1 ZINC000829681782 935844827 /nfs/dbraw/zinc/84/48/27/935844827.db2.gz KHUOSOXMAPISEI-UHFFFAOYSA-N -1 3 386.521 3.562 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CCCc2ccc(OC)c(OC)c2)c([O-])c1 ZINC001137937976 935880485 /nfs/dbraw/zinc/88/04/85/935880485.db2.gz PPVWULIOVYYPCA-UHFFFAOYSA-N -1 3 387.432 3.548 20 0 GHADHM O=C([N-][C@H](c1ncccn1)C1CC1)C(F)(F)c1cccc(Br)c1 ZINC000830142802 935906235 /nfs/dbraw/zinc/90/62/35/935906235.db2.gz ZIWPHWBZPIYQSG-ZDUSSCGKSA-N -1 3 382.208 3.598 20 0 GHADHM COc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000830239614 935919056 /nfs/dbraw/zinc/91/90/56/935919056.db2.gz VMBIZSXBCIEHMV-AWEZNQCLSA-N -1 3 389.320 3.656 20 0 GHADHM Cc1cccc([C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])c1C ZINC000908881118 939343709 /nfs/dbraw/zinc/34/37/09/939343709.db2.gz BYZNOADGKJTDEL-LMNJBCLMSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1ccc(OCCSCc2ccccc2)cc1-c1nnn[n-]1 ZINC001573280516 946663136 /nfs/dbraw/zinc/66/31/36/946663136.db2.gz XBHIZVNIBQDFRK-UHFFFAOYSA-N -1 3 391.294 3.941 20 0 GHADHM Brc1ccc(OCCSCc2ccccc2)cc1-c1nn[n-]n1 ZINC001573280516 946663140 /nfs/dbraw/zinc/66/31/40/946663140.db2.gz XBHIZVNIBQDFRK-UHFFFAOYSA-N -1 3 391.294 3.941 20 0 GHADHM CC(=CC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001573362354 947703851 /nfs/dbraw/zinc/70/38/51/947703851.db2.gz JQTJEYJGFVBMAP-ZRDIBKRKSA-N -1 3 396.882 3.937 20 0 GHADHM CC(=CC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001573362354 947703858 /nfs/dbraw/zinc/70/38/58/947703858.db2.gz JQTJEYJGFVBMAP-ZRDIBKRKSA-N -1 3 396.882 3.937 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001573364499 947719732 /nfs/dbraw/zinc/71/97/32/947719732.db2.gz HCEFXPHOSNIIPN-VKAVYKQESA-N -1 3 397.523 3.614 20 0 GHADHM C/C(=C/C1CCC(C)CC1)C(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001573364499 947719740 /nfs/dbraw/zinc/71/97/40/947719740.db2.gz HCEFXPHOSNIIPN-VKAVYKQESA-N -1 3 397.523 3.614 20 0 GHADHM CC(C)c1cccc2c1N(C(=O)c1cc(-c3nnn[n-]3)cc(N(C)C)c1)CCC2 ZINC001574419703 948786838 /nfs/dbraw/zinc/78/68/38/948786838.db2.gz JJKRLXKPORRYEK-UHFFFAOYSA-N -1 3 390.491 3.649 20 0 GHADHM CC(C)c1cccc2c1N(C(=O)c1cc(-c3nn[n-]n3)cc(N(C)C)c1)CCC2 ZINC001574419703 948786847 /nfs/dbraw/zinc/78/68/47/948786847.db2.gz JJKRLXKPORRYEK-UHFFFAOYSA-N -1 3 390.491 3.649 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001574420238 948796263 /nfs/dbraw/zinc/79/62/63/948796263.db2.gz RNWRHBYKXMYZCX-HNNXBMFYSA-N -1 3 379.464 3.589 20 0 GHADHM CC(C)c1cccc(OCC(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001574420238 948796270 /nfs/dbraw/zinc/79/62/70/948796270.db2.gz RNWRHBYKXMYZCX-HNNXBMFYSA-N -1 3 379.464 3.589 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C2CC2)cc1F ZINC001574082239 948849228 /nfs/dbraw/zinc/84/92/28/948849228.db2.gz CLHNOLYPWDAMRK-LJQANCHMSA-N -1 3 395.438 3.925 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C2CC2)cc1F ZINC001574082239 948849246 /nfs/dbraw/zinc/84/92/46/948849246.db2.gz CLHNOLYPWDAMRK-LJQANCHMSA-N -1 3 395.438 3.925 20 0 GHADHM CC(C)c1nc(CCNC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)cs1 ZINC001574425178 948868380 /nfs/dbraw/zinc/86/83/80/948868380.db2.gz AOVDCINPSFBUJA-UHFFFAOYSA-N -1 3 397.508 3.688 20 0 GHADHM CC(C)c1nc(CCNC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)cs1 ZINC001574425178 948868399 /nfs/dbraw/zinc/86/83/99/948868399.db2.gz AOVDCINPSFBUJA-UHFFFAOYSA-N -1 3 397.508 3.688 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574083019 948874149 /nfs/dbraw/zinc/87/41/49/948874149.db2.gz NWGPMTUJBXULFN-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574083019 948874167 /nfs/dbraw/zinc/87/41/67/948874167.db2.gz NWGPMTUJBXULFN-MRXNPFEDSA-N -1 3 389.818 3.701 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001574083213 948877420 /nfs/dbraw/zinc/87/74/20/948877420.db2.gz QHWJFHIIUMQFGX-QGZVFWFLSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001574083213 948877440 /nfs/dbraw/zinc/87/74/40/948877440.db2.gz QHWJFHIIUMQFGX-QGZVFWFLSA-N -1 3 385.512 3.555 20 0 GHADHM C[C@H](Sc1ccncc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001575504021 949060094 /nfs/dbraw/zinc/06/00/94/949060094.db2.gz QTZBJFFGXPLYPE-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccncc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001575504021 949060113 /nfs/dbraw/zinc/06/01/13/949060113.db2.gz QTZBJFFGXPLYPE-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](SCc1cccc2cccnc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001575504704 949082260 /nfs/dbraw/zinc/08/22/60/949082260.db2.gz WLQLBNXHYZJTOO-ZDUSSCGKSA-N -1 3 390.472 3.675 20 0 GHADHM C[C@H](SCc1cccc2cccnc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001575504704 949082279 /nfs/dbraw/zinc/08/22/79/949082279.db2.gz WLQLBNXHYZJTOO-ZDUSSCGKSA-N -1 3 390.472 3.675 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(-c2ccccc2)ns1 ZINC001575505035 949101950 /nfs/dbraw/zinc/10/19/50/949101950.db2.gz XVWYJVLOIHLDBO-CYBMUJFWSA-N -1 3 390.472 3.823 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(-c2ccccc2)ns1 ZINC001575505035 949101960 /nfs/dbraw/zinc/10/19/60/949101960.db2.gz XVWYJVLOIHLDBO-CYBMUJFWSA-N -1 3 390.472 3.823 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575254792 949214923 /nfs/dbraw/zinc/21/49/23/949214923.db2.gz XVWCAPYAQDUDGK-ZHRRBRCNSA-N -1 3 377.492 3.949 20 0 GHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575254792 949214944 /nfs/dbraw/zinc/21/49/44/949214944.db2.gz XVWCAPYAQDUDGK-ZHRRBRCNSA-N -1 3 377.492 3.949 20 0 GHADHM CC1=C(C)C[C@](C)(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC001575860397 949300142 /nfs/dbraw/zinc/30/01/42/949300142.db2.gz GTGQAAFPVDMYSW-HXUWFJFHSA-N -1 3 395.442 3.657 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC001573823506 949835632 /nfs/dbraw/zinc/83/56/32/949835632.db2.gz XUXQNMDYLPPREG-MRXNPFEDSA-N -1 3 389.381 3.801 20 0 GHADHM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC001573823506 949835658 /nfs/dbraw/zinc/83/56/58/949835658.db2.gz XUXQNMDYLPPREG-MRXNPFEDSA-N -1 3 389.381 3.801 20 0 GHADHM CC(C)(C)CC[C@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC(C)(C)C ZINC001573843018 950165187 /nfs/dbraw/zinc/16/51/87/950165187.db2.gz OXMGVFOYAZLVMA-INIZCTEOSA-N -1 3 391.491 3.632 20 0 GHADHM CC(C)(C)CC[C@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC001573843018 950165202 /nfs/dbraw/zinc/16/52/02/950165202.db2.gz OXMGVFOYAZLVMA-INIZCTEOSA-N -1 3 391.491 3.632 20 0 GHADHM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1C(F)(F)F ZINC001574508469 950482594 /nfs/dbraw/zinc/48/25/94/950482594.db2.gz OZMPIGIEVOJTBC-JTQLQIEISA-N -1 3 395.410 3.757 20 0 GHADHM CC(C)CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001574168304 950506757 /nfs/dbraw/zinc/50/67/57/950506757.db2.gz SDZFCVLELVQLJN-UHFFFAOYSA-N -1 3 391.475 3.754 20 0 GHADHM CC(C)(C)OCc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001573873317 950639260 /nfs/dbraw/zinc/63/92/60/950639260.db2.gz ILPIJSAQSZQBFX-VAWYXSNFSA-N -1 3 377.448 3.834 20 0 GHADHM CC(C)(C)OCc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001573873317 950639275 /nfs/dbraw/zinc/63/92/75/950639275.db2.gz ILPIJSAQSZQBFX-VAWYXSNFSA-N -1 3 377.448 3.834 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccc(F)cc1F ZINC001574519129 950669780 /nfs/dbraw/zinc/66/97/80/950669780.db2.gz BKMLXTYCZWIQFD-MRVPVSSYSA-N -1 3 379.317 3.555 20 0 GHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccc(F)cc1F ZINC001574519129 950669790 /nfs/dbraw/zinc/66/97/90/950669790.db2.gz BKMLXTYCZWIQFD-MRVPVSSYSA-N -1 3 379.317 3.555 20 0 GHADHM CC(C)(C)Oc1cccc(CNC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001573876759 950682356 /nfs/dbraw/zinc/68/23/56/950682356.db2.gz VHFJJXKSBLSHQJ-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1cccc(CNC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001573876759 950682372 /nfs/dbraw/zinc/68/23/72/950682372.db2.gz VHFJJXKSBLSHQJ-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1cc(-c3nnn[n-]3)ccc1F)C2 ZINC001573882167 950774393 /nfs/dbraw/zinc/77/43/93/950774393.db2.gz VSXAXOVOIFYORZ-UHFFFAOYSA-N -1 3 394.454 3.894 20 0 GHADHM CC(C)(C)c1ccc2c(c1)CCN(C(=O)Nc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC001573882167 950774418 /nfs/dbraw/zinc/77/44/18/950774418.db2.gz VSXAXOVOIFYORZ-UHFFFAOYSA-N -1 3 394.454 3.894 20 0 GHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCc2ccccc2OC(F)F)n1 ZINC001573882187 950774652 /nfs/dbraw/zinc/77/46/52/950774652.db2.gz WWFQXSJTZQHFTJ-UHFFFAOYSA-N -1 3 388.422 3.815 20 0 GHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCc2ccccc2OC(F)F)n1 ZINC001573882187 950774667 /nfs/dbraw/zinc/77/46/67/950774667.db2.gz WWFQXSJTZQHFTJ-UHFFFAOYSA-N -1 3 388.422 3.815 20 0 GHADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001574184170 950775093 /nfs/dbraw/zinc/77/50/93/950775093.db2.gz HHDAVPNJTZPFTB-BXUZGUMPSA-N -1 3 396.417 3.615 20 0 GHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001574184172 950776930 /nfs/dbraw/zinc/77/69/30/950776930.db2.gz HHDAVPNJTZPFTB-RISCZKNCSA-N -1 3 396.417 3.615 20 0 GHADHM CC(C)(C)c1cccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC001573884576 950800767 /nfs/dbraw/zinc/80/07/67/950800767.db2.gz NKVAQHOUTKWHQH-UHFFFAOYSA-N -1 3 376.464 3.690 20 0 GHADHM CC(C)(C)c1cccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC001573884576 950800779 /nfs/dbraw/zinc/80/07/79/950800779.db2.gz NKVAQHOUTKWHQH-UHFFFAOYSA-N -1 3 376.464 3.690 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cc2c(s1)CCCC2 ZINC001573888536 950870242 /nfs/dbraw/zinc/87/02/42/950870242.db2.gz VQKGNZVAEFSGFP-UHFFFAOYSA-N -1 3 399.524 3.685 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cc2c(s1)CCCC2 ZINC001573888536 950870258 /nfs/dbraw/zinc/87/02/58/950870258.db2.gz VQKGNZVAEFSGFP-UHFFFAOYSA-N -1 3 399.524 3.685 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001575187420 952441693 /nfs/dbraw/zinc/44/16/93/952441693.db2.gz CKIVZQHNQVJELQ-QMHKHESXSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001575187420 952441696 /nfs/dbraw/zinc/44/16/96/952441696.db2.gz CKIVZQHNQVJELQ-QMHKHESXSA-N -1 3 389.503 3.529 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccnc1-c1ccccc1 ZINC001575190501 952463124 /nfs/dbraw/zinc/46/31/24/952463124.db2.gz SZQLPSKWBQICJJ-OAHLLOKOSA-N -1 3 384.443 3.746 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccnc1-c1ccccc1 ZINC001575190501 952463127 /nfs/dbraw/zinc/46/31/27/952463127.db2.gz SZQLPSKWBQICJJ-OAHLLOKOSA-N -1 3 384.443 3.746 20 0 GHADHM C[C@H](CNCc1c(Br)cc(F)c(F)c1N1CCCCC1)C(=O)[O-] ZINC001589066293 955747346 /nfs/dbraw/zinc/74/73/46/955747346.db2.gz CEETXBOQOMGJEO-SNVBAGLBSA-N -1 3 391.256 3.528 20 0 GHADHM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000142751794 958979770 /nfs/dbraw/zinc/97/97/70/958979770.db2.gz OKUSCHJUIFMPEC-SFHVURJKSA-N -1 3 378.900 3.627 20 0 GHADHM CCc1ccc([C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001520135804 962813508 /nfs/dbraw/zinc/81/35/08/962813508.db2.gz PCUDUCNALBYUSP-UUOWRZLLSA-N -1 3 394.515 3.588 20 0 GHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001154386937 1032075162 /nfs/dbraw/zinc/07/51/62/1032075162.db2.gz NNOIQEKTOVKAMX-UHFFFAOYSA-N -1 3 381.350 3.891 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1cc(Br)c(Cl)s1)O2 ZINC001605988264 973047643 /nfs/dbraw/zinc/04/76/43/973047643.db2.gz WPYMAMNCVJIVHC-PUUHTONNSA-N -1 3 394.718 3.666 20 0 GHADHM CC(C)O[C@@]1(CNCc2ccccc2OCc2ccc(C(=O)[O-])cc2)CCOC1 ZINC001591695898 975527208 /nfs/dbraw/zinc/52/72/08/975527208.db2.gz NASHVFMLPZPAJH-HSZRJFAPSA-N -1 3 399.487 3.638 20 0 GHADHM CC(C)Oc1c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cccc1C(=O)[O-] ZINC001591740904 975744749 /nfs/dbraw/zinc/74/47/49/975744749.db2.gz LXMBDDNPQQDADK-AAEUAGOBSA-N -1 3 389.370 3.858 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)C1(c2ccc(F)cc2)CCCCC1 ZINC001625911504 1014369912 /nfs/dbraw/zinc/36/99/12/1014369912.db2.gz OEZPKCRRZQVTOE-UHFFFAOYSA-N -1 3 379.439 3.770 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C1(c2ccc(F)cc2)CCCCC1 ZINC001625911504 1014369932 /nfs/dbraw/zinc/36/99/32/1014369932.db2.gz OEZPKCRRZQVTOE-UHFFFAOYSA-N -1 3 379.439 3.770 20 0 GHADHM C[C@@](CNCc1nc(Cl)ccc1Br)(C(=O)[O-])c1ccccc1 ZINC001592713090 979210744 /nfs/dbraw/zinc/21/07/44/979210744.db2.gz YZEJBVZJBSWPEA-INIZCTEOSA-N -1 3 383.673 3.630 20 0 GHADHM CC[C@@](C)(C(=O)[O-])N(Cc1nc(Cl)ccc1Br)CC1CC1 ZINC001594791552 981851155 /nfs/dbraw/zinc/85/11/55/981851155.db2.gz MLUSWBXPYFDTFR-HNNXBMFYSA-N -1 3 375.694 3.963 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccsc1 ZINC001596254296 983662304 /nfs/dbraw/zinc/66/23/04/983662304.db2.gz ICXMEOXIPQGYJT-QGZVFWFLSA-N -1 3 393.484 3.719 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])s1)c1cccc(OC)c1 ZINC001596254559 983664023 /nfs/dbraw/zinc/66/40/23/983664023.db2.gz TXWRHWUFJKYGDL-HNNXBMFYSA-N -1 3 391.493 3.660 20 0 GHADHM CCN1CCN(c2cccc(NC(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)c2)CC1 ZINC001596442078 984133265 /nfs/dbraw/zinc/13/32/65/984133265.db2.gz MTYTUTUBMMZPAW-MRXNPFEDSA-N -1 3 396.491 3.661 20 0 GHADHM CCO[C@@H]1C[C@@](NCc2cc(Br)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839855 985521770 /nfs/dbraw/zinc/52/17/70/985521770.db2.gz VRICGHLUTHUMHD-CZUORRHYSA-N -1 3 390.705 3.851 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001594545482 986209182 /nfs/dbraw/zinc/20/91/82/986209182.db2.gz SDJYSWBNVVQMPV-HNNXBMFYSA-N -1 3 385.439 3.510 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001597021691 986413230 /nfs/dbraw/zinc/41/32/30/986413230.db2.gz MELQXTXTXXZVSE-SFHVURJKSA-N -1 3 397.475 3.570 20 0 GHADHM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001589415394 986644648 /nfs/dbraw/zinc/64/46/48/986644648.db2.gz PFWIYRXSLZSNEZ-WMZOPIPTSA-N -1 3 398.478 3.798 20 0 GHADHM CCOc1ccccc1NC(=O)[C@H](N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1 ZINC001597180018 987042419 /nfs/dbraw/zinc/04/24/19/987042419.db2.gz WYLVRKDUOUQFPG-FXAWDEMLSA-N -1 3 380.444 3.528 20 0 GHADHM CCOc1ccccc1NC(=O)[C@@H](N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1 ZINC001597180021 987042621 /nfs/dbraw/zinc/04/26/21/987042621.db2.gz WYLVRKDUOUQFPG-XLIONFOSSA-N -1 3 380.444 3.528 20 0 GHADHM CCc1[nH]c(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C(=O)[O-] ZINC001597386426 987604020 /nfs/dbraw/zinc/60/40/20/987604020.db2.gz KBVPXWGCMSIXKY-CQSZACIVSA-N -1 3 398.438 3.844 20 0 GHADHM CC(C)(C)CCN(CCc1ccccc1)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589773974 988129980 /nfs/dbraw/zinc/12/99/80/988129980.db2.gz BLXSBKBBIONVES-UHFFFAOYSA-N -1 3 388.552 3.871 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H](C)c2cccs2)no1 ZINC000545028914 1015382671 /nfs/dbraw/zinc/38/26/71/1015382671.db2.gz DTPYLCMQKDVXKU-GHMZBOCLSA-N -1 3 397.909 3.976 20 0 GHADHM CC[C@@H](C)Oc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000545031096 1015388188 /nfs/dbraw/zinc/38/81/88/1015388188.db2.gz MVJLPWISJPZFAK-CYBMUJFWSA-N -1 3 387.461 3.952 20 0 GHADHM CC(C)(C)OC(=O)CCC1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001589874412 988527790 /nfs/dbraw/zinc/52/77/90/988527790.db2.gz ZOWFIYFUTLERNG-UHFFFAOYSA-N -1 3 390.524 3.857 20 0 GHADHM CC(C)(C)OC(=O)N(CCN1CCc2ccccc2[C@@H]1C(=O)[O-])C(C)(C)C ZINC001589905128 988614328 /nfs/dbraw/zinc/61/43/28/988614328.db2.gz BSKQESIKSKSXBX-QGZVFWFLSA-N -1 3 376.497 3.706 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCCCCNCc2cc(C(=O)[O-])no2)CC1 ZINC001589973761 988819165 /nfs/dbraw/zinc/81/91/65/988819165.db2.gz IQJDMBWIZQYYHC-UHFFFAOYSA-N -1 3 395.500 3.670 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590025844 989020733 /nfs/dbraw/zinc/02/07/33/989020733.db2.gz MDVIBOTWIXDWMN-UWJYYQICSA-N -1 3 392.471 3.817 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001590099343 989239096 /nfs/dbraw/zinc/23/90/96/989239096.db2.gz RRXIYDNADYVWAS-DZFIZOCASA-N -1 3 398.459 3.600 20 0 GHADHM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001599866588 989273527 /nfs/dbraw/zinc/27/35/27/989273527.db2.gz RFMWQERGLZLVTO-QGZVFWFLSA-N -1 3 375.472 3.639 20 0 GHADHM CCc1oc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597798384 989367124 /nfs/dbraw/zinc/36/71/24/989367124.db2.gz CKFCENWMJOHXCA-AWEZNQCLSA-N -1 3 380.485 3.667 20 0 GHADHM CCc1oc(CNCCN(Cc2ccccc2)c2ccccn2)cc1C(=O)[O-] ZINC001597805626 989415454 /nfs/dbraw/zinc/41/54/54/989415454.db2.gz LYCYXCSKMPNBBG-UHFFFAOYSA-N -1 3 379.460 3.732 20 0 GHADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001599878136 989446091 /nfs/dbraw/zinc/44/60/91/989446091.db2.gz JXQDFERBKHFKAW-POAQFYNOSA-N -1 3 386.536 3.833 20 0 GHADHM CC(C)(C)OC(=O)NCCN(CCCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC001590194522 989551808 /nfs/dbraw/zinc/55/18/08/989551808.db2.gz ISNQZRSRHJVBDW-UHFFFAOYSA-N -1 3 384.904 3.922 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001590493833 990097897 /nfs/dbraw/zinc/09/78/97/990097897.db2.gz PORBJGAPHHQPBM-QHCPKHFHSA-N -1 3 380.488 3.651 20 0 GHADHM COc1cccc2c(CN3CCN(c4ccc(C(=O)[O-])s4)CC3)cccc12 ZINC001599689678 991047742 /nfs/dbraw/zinc/04/77/42/991047742.db2.gz QQGSOZOFDYZAAV-UHFFFAOYSA-N -1 3 382.485 3.930 20 0 GHADHM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001598511686 992572881 /nfs/dbraw/zinc/57/28/81/992572881.db2.gz VVIIHCYEYRLVDO-NRFANRHFSA-N -1 3 395.503 3.581 20 0 GHADHM CC(C)Cc1ccc([C@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC001591484298 992610387 /nfs/dbraw/zinc/61/03/87/992610387.db2.gz MZUWEKKWHYLSCQ-QFIPXVFZSA-N -1 3 396.531 3.935 20 0 GHADHM Cc1cc(C)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1CO ZINC001154470351 1032125778 /nfs/dbraw/zinc/12/57/78/1032125778.db2.gz GNABZLLFNOUMJO-UHFFFAOYSA-N -1 3 377.466 3.852 20 0 GHADHM COc1ccc2[nH]cc(CCN[C@H](C(=O)[O-])c3c(F)cccc3Cl)c2c1 ZINC001599623372 994114885 /nfs/dbraw/zinc/11/48/85/994114885.db2.gz PVBGQPIRDGWORM-SFHVURJKSA-N -1 3 376.815 3.927 20 0 GHADHM C[C@@H](N[C@H]1CCc2cccc3cccc1c32)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593232529 994385833 /nfs/dbraw/zinc/38/58/33/994385833.db2.gz NVDJQEOBGKFDNA-VFNWGFHPSA-N -1 3 388.467 3.820 20 0 GHADHM C[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593246449 994451694 /nfs/dbraw/zinc/45/16/94/994451694.db2.gz LKHNCGLEYJZHHL-LRDDRELGSA-N -1 3 383.366 3.553 20 0 GHADHM C[C@H](NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cc(C(=O)[O-])co1 ZINC001593246503 994452923 /nfs/dbraw/zinc/45/29/23/994452923.db2.gz MIYDOIKMQJZFEN-YWZLYKJASA-N -1 3 381.428 3.941 20 0 GHADHM C[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593257525 994530610 /nfs/dbraw/zinc/53/06/10/994530610.db2.gz PJZVMEVORHICHU-CHWSQXEVSA-N -1 3 383.514 3.529 20 0 GHADHM C[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCCCC2=O)cc1 ZINC001593289570 994664848 /nfs/dbraw/zinc/66/48/48/994664848.db2.gz UUROHERSZGYQTQ-INIZCTEOSA-N -1 3 395.503 3.890 20 0 GHADHM COC(=O)[C@@H](CNCc1ccc(C(=O)[O-])cc1Br)CC1CCCC1 ZINC001598702328 995240339 /nfs/dbraw/zinc/24/03/39/995240339.db2.gz JBWZPAZCUCNRGM-OAHLLOKOSA-N -1 3 398.297 3.606 20 0 GHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001593690665 996136783 /nfs/dbraw/zinc/13/67/83/996136783.db2.gz VJGCKNIAFKIOPA-NVXWUHKLSA-N -1 3 386.448 3.677 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001593698436 996164640 /nfs/dbraw/zinc/16/46/40/996164640.db2.gz KHTJCSNQJXFGFR-SUMWQHHRSA-N -1 3 397.393 3.836 20 0 GHADHM C[C@@H](c1ccccc1F)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001593716700 996232585 /nfs/dbraw/zinc/23/25/85/996232585.db2.gz AIBHVVAFZDJFAV-OHCIBOTMSA-N -1 3 377.456 3.641 20 0 GHADHM COc1cc(CN[C@](C)(CC(=O)[O-])c2cccc(F)c2)ccc1OC(F)F ZINC001599415366 997498256 /nfs/dbraw/zinc/49/82/56/997498256.db2.gz ACZHOQSFAFOGHT-LJQANCHMSA-N -1 3 383.366 3.915 20 0 GHADHM COc1ccc([C@H](NCc2ccc([Si](C)(C)C)cc2)C(=O)[O-])cc1Cl ZINC001599533132 997694000 /nfs/dbraw/zinc/69/40/00/997694000.db2.gz ZLJHHPQICLSDIQ-SFHVURJKSA-N -1 3 377.944 3.809 20 0 GHADHM COc1cc(-c2nc(CN3[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]3C)cs2)ccc1O ZINC001599347255 998029516 /nfs/dbraw/zinc/02/95/16/998029516.db2.gz VBOMCNMYWUJQNV-DABQJJPHSA-N -1 3 376.478 3.598 20 0 GHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@H]2Cc2cccc(Br)c2)O1 ZINC001594103300 998130996 /nfs/dbraw/zinc/13/09/96/998130996.db2.gz RPQNZLLTHLOKFC-DLBZAZTESA-N -1 3 394.309 3.994 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc3cnccc3c1)CC2 ZINC001599466099 998363610 /nfs/dbraw/zinc/36/36/10/998363610.db2.gz YJYMFEFLCDBYTC-HXUWFJFHSA-N -1 3 392.455 3.826 20 0 GHADHM COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001599578257 998482662 /nfs/dbraw/zinc/48/26/62/998482662.db2.gz SNJYPEPRQUELIK-SCLBCKFNSA-N -1 3 395.286 3.996 20 0 GHADHM COC(=O)c1ccc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)o1 ZINC001598974049 998570027 /nfs/dbraw/zinc/57/00/27/998570027.db2.gz GQFCIBPRICLBDH-UHFFFAOYSA-N -1 3 382.416 3.625 20 0 GHADHM COC(=O)c1ccc2[nH]cc(C3CCN(Cc4cc(C)c(C(=O)[O-])[nH]4)CC3)c2c1 ZINC001598989651 998725243 /nfs/dbraw/zinc/72/52/43/998725243.db2.gz GLOWTTXANPCNSO-UHFFFAOYSA-N -1 3 395.459 3.669 20 0 GHADHM COC(=O)c1cccc([C@@H](NCc2ccc(C(F)(F)F)cc2C)C(=O)[O-])c1 ZINC001598993996 998762438 /nfs/dbraw/zinc/76/24/38/998762438.db2.gz CWOHFAFXTHQGIZ-MRXNPFEDSA-N -1 3 381.350 3.716 20 0 GHADHM CCOc1c(OC)cc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1OC ZINC000468979220 1016300115 /nfs/dbraw/zinc/30/01/15/1016300115.db2.gz ONWCYVCACZYKST-UHFFFAOYSA-N -1 3 391.439 3.586 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCCS3)no2)ccc1F ZINC000545813496 1016429117 /nfs/dbraw/zinc/42/91/17/1016429117.db2.gz XDLLSQZHOSEZTA-CYBMUJFWSA-N -1 3 399.513 3.911 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(F)(F)F ZINC000469145154 1016554635 /nfs/dbraw/zinc/55/46/35/1016554635.db2.gz RFIHRGSVIRYZEN-SNVBAGLBSA-N -1 3 385.835 3.996 20 0 GHADHM Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)NCc2ncccc2[O-])cc1 ZINC000469923577 1016666098 /nfs/dbraw/zinc/66/60/98/1016666098.db2.gz AQBPZOQYXIWFCP-UHFFFAOYSA-N -1 3 389.415 3.863 20 0 GHADHM C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000470489551 1016797042 /nfs/dbraw/zinc/79/70/42/1016797042.db2.gz IVEBAUXQEMPYTP-QWRGUYRKSA-N -1 3 378.416 3.842 20 0 GHADHM O=C(NC1(C2CC2)CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001154761339 1032276946 /nfs/dbraw/zinc/27/69/46/1032276946.db2.gz KVSRCYNKGHDDPJ-UHFFFAOYSA-N -1 3 388.464 3.689 20 0 GHADHM O=C(Nc1ccc2cnn([C@H]3CCCCO3)c2c1)c1nc2nc(Cl)ccc2[n-]1 ZINC001155178294 1032446160 /nfs/dbraw/zinc/44/61/60/1032446160.db2.gz HNGOSWPXAIPWEF-MRXNPFEDSA-N -1 3 396.838 3.912 20 0 GHADHM O=C(Nc1ccc2cnn([C@H]3CCCCO3)c2c1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155178294 1032446164 /nfs/dbraw/zinc/44/61/64/1032446164.db2.gz HNGOSWPXAIPWEF-MRXNPFEDSA-N -1 3 396.838 3.912 20 0 GHADHM O=C(Nc1ccc2cnn([C@H]3CCCCO3)c2c1)c1nc2ccc(Cl)nc2[n-]1 ZINC001155178294 1032446170 /nfs/dbraw/zinc/44/61/70/1032446170.db2.gz HNGOSWPXAIPWEF-MRXNPFEDSA-N -1 3 396.838 3.912 20 0 GHADHM COc1nn(C)c2nc(C)c(CCC(=O)Nc3c([O-])cccc3Cl)c(C)c12 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XTAFXKHCWNSEHR-SFHVURJKSA-N -1 3 391.464 3.918 20 0 GHADHM O=C([C@@H](Sc1ccccc1F)c1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000572521722 1019782552 /nfs/dbraw/zinc/78/25/52/1019782552.db2.gz NXZURBVKTFOWJF-IBGZPJMESA-N -1 3 395.459 3.740 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000575748370 1019943650 /nfs/dbraw/zinc/94/36/50/1019943650.db2.gz CKOPDUYOJFRYIO-JUFZMCDQSA-N -1 3 387.307 3.602 20 0 GHADHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228346366 1032900993 /nfs/dbraw/zinc/90/09/93/1032900993.db2.gz GNWKVHNOTCTXMC-KRWDZBQOSA-N -1 3 394.500 3.774 20 0 GHADHM O=C([O-])c1nnn(C2CCN([C@@H]3CCc4c3cccc4Cl)CC2)c1C(F)F ZINC000634696091 1020955842 /nfs/dbraw/zinc/95/58/42/1020955842.db2.gz JPDPLNLPAJVFRL-CQSZACIVSA-N -1 3 396.825 3.892 20 0 GHADHM O=C([O-])c1cnc(C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)s1 ZINC000901932266 1021465869 /nfs/dbraw/zinc/46/58/69/1021465869.db2.gz RIUGOGZHMDZKFK-UHFFFAOYSA-N -1 3 386.452 3.750 20 0 GHADHM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000902263226 1021499968 /nfs/dbraw/zinc/49/99/68/1021499968.db2.gz LRYWJPNAIGAPMG-ZDUSSCGKSA-N -1 3 375.900 3.790 20 0 GHADHM Cc1[nH]c(CN2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c(C)c1C(=O)[O-] ZINC001140494542 1021843831 /nfs/dbraw/zinc/84/38/31/1021843831.db2.gz FYITVTWNAAZUBV-PGRDOPGGSA-N -1 3 390.524 3.660 20 0 GHADHM CCCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140499669 1021873602 /nfs/dbraw/zinc/87/36/02/1021873602.db2.gz SQHNHBULXFNBFQ-HNNXBMFYSA-N -1 3 379.501 3.551 20 0 GHADHM C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1cccc([O-])c1Br ZINC001140547872 1021949044 /nfs/dbraw/zinc/94/90/44/1021949044.db2.gz SKFJCMUFUPGFDM-ZDUSSCGKSA-N -1 3 399.329 3.986 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1cccc([O-])c1Br ZINC001140550353 1021951345 /nfs/dbraw/zinc/95/13/45/1021951345.db2.gz RKCCQGPIGNGOTI-UONOGXRCSA-N -1 3 397.313 3.738 20 0 GHADHM CCOC[C@@H]1CN(Cc2cccc([O-])c2Br)Cc2nn(CC)cc21 ZINC001140549927 1021951928 /nfs/dbraw/zinc/95/19/28/1021951928.db2.gz MRXUXDKTLFBXMV-AWEZNQCLSA-N -1 3 394.313 3.507 20 0 GHADHM CC[C@@H]1N(Cc2cccc([O-])c2Br)CCC[C@]12CCC(=O)N2C ZINC001140551324 1021953969 /nfs/dbraw/zinc/95/39/69/1021953969.db2.gz RXISQMCVOYGJKG-YJBOKZPZSA-N -1 3 381.314 3.520 20 0 GHADHM O=C(C1CCCCC1)N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC001140552853 1021955865 /nfs/dbraw/zinc/95/58/65/1021955865.db2.gz MEWCERMEACZECS-UHFFFAOYSA-N -1 3 395.341 3.769 20 0 GHADHM CN(C[C@H]1CCCN1Cc1cccc([O-])c1Br)C(=O)OC(C)(C)C ZINC001140555813 1021959714 /nfs/dbraw/zinc/95/97/14/1021959714.db2.gz XJZHDOAEZFBVBY-CQSZACIVSA-N -1 3 399.329 3.986 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001228630800 1033021491 /nfs/dbraw/zinc/02/14/91/1033021491.db2.gz ULYGKHCXPFPCJS-OAHLLOKOSA-N -1 3 387.432 3.585 20 0 GHADHM C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C2(CC2)C1 ZINC001156425065 1033027801 /nfs/dbraw/zinc/02/78/01/1033027801.db2.gz KEVHBRNCUZLZNF-LBPRGKRZSA-N -1 3 379.432 3.539 20 0 GHADHM FC(F)(F)c1ccc(N2CCC(Oc3n[n-]c(-c4ccncc4)n3)CC2)cc1 ZINC001228696881 1033051529 /nfs/dbraw/zinc/05/15/29/1033051529.db2.gz DEVVJSGWWLRRMN-UHFFFAOYSA-N -1 3 389.381 3.933 20 0 GHADHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000754440582 1022709253 /nfs/dbraw/zinc/70/92/53/1022709253.db2.gz OXZBPOKEUAMHGZ-NSHDSACASA-N -1 3 387.233 3.608 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Cl)ccc1N1CCCCC1 ZINC000836217714 1022737205 /nfs/dbraw/zinc/73/72/05/1022737205.db2.gz UXYNHENYKCPEPR-UHFFFAOYSA-N -1 3 383.876 3.725 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000836217714 1022737218 /nfs/dbraw/zinc/73/72/18/1022737218.db2.gz UXYNHENYKCPEPR-UHFFFAOYSA-N -1 3 383.876 3.725 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1SCC(F)(F)F ZINC000836253268 1022777439 /nfs/dbraw/zinc/77/74/39/1022777439.db2.gz HLDGOUAKAWYTCF-UHFFFAOYSA-N -1 3 380.388 3.736 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1SCC(F)(F)F ZINC000836253268 1022777450 /nfs/dbraw/zinc/77/74/50/1022777450.db2.gz HLDGOUAKAWYTCF-UHFFFAOYSA-N -1 3 380.388 3.736 20 0 GHADHM O=C(c1ccsc1)N1CCC2(CCN(Cc3ccc([O-])c(F)c3F)C2)CC1 ZINC001140889677 1022807141 /nfs/dbraw/zinc/80/71/41/1022807141.db2.gz YNOQULOIFFVYBS-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC[C@@H]1CCCCO1 ZINC000754796753 1022902280 /nfs/dbraw/zinc/90/22/80/1022902280.db2.gz DQECCTRSARSOJG-SFTDATJTSA-N -1 3 397.471 3.756 20 0 GHADHM CC(C)(C)OCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000755100161 1023074604 /nfs/dbraw/zinc/07/46/04/1023074604.db2.gz BGCNDFCVENAAHP-UHFFFAOYSA-N -1 3 395.452 3.598 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)CC1 ZINC001140988489 1023093086 /nfs/dbraw/zinc/09/30/86/1023093086.db2.gz DDWZVGKGNHHTFE-UHFFFAOYSA-N -1 3 382.451 3.893 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccnc1-c1ccc(Cl)s1 ZINC000836551051 1023103854 /nfs/dbraw/zinc/10/38/54/1023103854.db2.gz RAAJXCUZLRFVCY-UHFFFAOYSA-N -1 3 383.857 3.858 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000836551051 1023103861 /nfs/dbraw/zinc/10/38/61/1023103861.db2.gz RAAJXCUZLRFVCY-UHFFFAOYSA-N -1 3 383.857 3.858 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140992367 1023109122 /nfs/dbraw/zinc/10/91/22/1023109122.db2.gz ZINIEHQVSGSIMC-UHFFFAOYSA-N -1 3 386.464 3.735 20 0 GHADHM Cc1sc(Br)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1C ZINC001157232371 1033483818 /nfs/dbraw/zinc/48/38/18/1033483818.db2.gz CWCMSQUNZYYACU-RXMQYKEDSA-N -1 3 397.220 3.755 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc3c(cc2[O-])CCC3=O)C(F)(F)C1 ZINC001228856529 1033136455 /nfs/dbraw/zinc/13/64/55/1033136455.db2.gz DAEZQADAWNHNPZ-INIZCTEOSA-N -1 3 383.391 3.545 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141120041 1023542120 /nfs/dbraw/zinc/54/21/20/1023542120.db2.gz IRJBCHJXMJPSRS-UHFFFAOYSA-N -1 3 391.446 3.551 20 0 GHADHM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000756341288 1023597778 /nfs/dbraw/zinc/59/77/78/1023597778.db2.gz VQEUTIBBMUCCAA-INIZCTEOSA-N -1 3 382.243 3.670 20 0 GHADHM COc1c(C)cc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1C ZINC000756349884 1023600423 /nfs/dbraw/zinc/60/04/23/1023600423.db2.gz NRUCQDMCZXIJON-INIZCTEOSA-N -1 3 378.266 3.990 20 0 GHADHM O=C(NCc1sccc1Br)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001156641392 1033149936 /nfs/dbraw/zinc/14/99/36/1033149936.db2.gz PEYRCGGVYYPIMH-UHFFFAOYSA-N -1 3 399.216 3.560 20 0 GHADHM COc1ccccc1[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccccn1 ZINC000756747490 1023797492 /nfs/dbraw/zinc/79/74/92/1023797492.db2.gz YWOUBFUHCJVFMM-HNNXBMFYSA-N -1 3 375.400 3.544 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H](C)C3CCC3)c2)c1 ZINC000756808221 1023822753 /nfs/dbraw/zinc/82/27/53/1023822753.db2.gz DJFJPNQOCCFXNF-ZDUSSCGKSA-N -1 3 398.459 3.580 20 0 GHADHM Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000837028643 1023962202 /nfs/dbraw/zinc/96/22/02/1023962202.db2.gz QYLPUIZGCFILHE-IRXDYDNUSA-N -1 3 388.508 3.810 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000837064293 1023984490 /nfs/dbraw/zinc/98/44/90/1023984490.db2.gz SXRLMZFEBDLLEP-UHFFFAOYSA-N -1 3 383.398 3.709 20 0 GHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC)[C@@H](O)c1c(F)cccc1F ZINC000830598127 1024007949 /nfs/dbraw/zinc/00/79/49/1024007949.db2.gz DWQSBIMJPKKCEU-WMLDXEAASA-N -1 3 385.357 3.694 20 0 GHADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCn2c1nc1ccccc1c2=O ZINC001228959145 1033200825 /nfs/dbraw/zinc/20/08/25/1033200825.db2.gz SBQSVLRYFXMYJN-IBGZPJMESA-N -1 3 378.428 3.952 20 0 GHADHM Cc1cccc(N2CCN(Cc3cn(CC(=O)[O-])c4ccccc34)CC2)c1C ZINC001138194344 1024341628 /nfs/dbraw/zinc/34/16/28/1024341628.db2.gz KLEAJJKZEZRTQO-UHFFFAOYSA-N -1 3 377.488 3.665 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cc(Cl)cc2c1OCC2 ZINC001156729240 1033208507 /nfs/dbraw/zinc/20/85/07/1033208507.db2.gz JIQYIQGUMOLPEI-LLVKDONJSA-N -1 3 395.789 3.936 20 0 GHADHM CC(C)c1nc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nn1-c1ccccc1Cl ZINC001141302339 1024463616 /nfs/dbraw/zinc/46/36/16/1024463616.db2.gz YYZQUVVNJGLMDE-UHFFFAOYSA-N -1 3 396.838 3.878 20 0 GHADHM CCn1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)nc2cccnc21 ZINC001141307666 1024483595 /nfs/dbraw/zinc/48/35/95/1024483595.db2.gz IRTYYCLWKQDMKJ-UHFFFAOYSA-N -1 3 388.453 3.507 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000837495586 1024505809 /nfs/dbraw/zinc/50/58/09/1024505809.db2.gz QXKONMUHJSHERM-UHFFFAOYSA-N -1 3 378.350 3.853 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1csc(Cc2ccc(F)cc2)n1 ZINC000837499157 1024508404 /nfs/dbraw/zinc/50/84/04/1024508404.db2.gz SAOBCLJREVKKQC-UHFFFAOYSA-N -1 3 385.420 3.603 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(-c2ccccc2)n1)c1csc([C@H]2CCCO2)n1 ZINC000837597878 1024575400 /nfs/dbraw/zinc/57/54/00/1024575400.db2.gz JUVLJLWCPJMVDT-OAHLLOKOSA-N -1 3 383.429 3.514 20 0 GHADHM O=C([O-])c1cccc(-c2ccc(CN3CCC[C@H](Oc4cnccn4)C3)cc2)c1 ZINC001141360710 1024711141 /nfs/dbraw/zinc/71/11/41/1024711141.db2.gz HUYUSHMCVMTSSX-NRFANRHFSA-N -1 3 389.455 3.885 20 0 GHADHM Cn1cc([C@@H](NC(=O)c2cc3sccc3c([O-])c2)c2ccc(F)cc2)cn1 ZINC001138399084 1024777886 /nfs/dbraw/zinc/77/78/86/1024777886.db2.gz BDDCAZJJCIXSRI-IBGZPJMESA-N -1 3 381.432 3.999 20 0 GHADHM Cc1cc(CCNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)ccc1Cl ZINC001141378052 1024778009 /nfs/dbraw/zinc/77/80/09/1024778009.db2.gz IXUBMZSBQLMTSD-UHFFFAOYSA-N -1 3 376.790 3.741 20 0 GHADHM CC(C)(NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccccc1F ZINC001141503713 1025302319 /nfs/dbraw/zinc/30/23/19/1025302319.db2.gz XLYNRMVAJKMBBP-UHFFFAOYSA-N -1 3 384.860 3.516 20 0 GHADHM COCC[S@](=O)Cc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000838880891 1025416451 /nfs/dbraw/zinc/41/64/51/1025416451.db2.gz QVRHGRXJPVMMLW-QHCPKHFHSA-N -1 3 398.322 3.662 20 0 GHADHM O=c1cc(CN2CCC(O)(c3ccccc3Cl)CC2)nc(-c2ccccc2)[n-]1 ZINC000838969968 1025488177 /nfs/dbraw/zinc/48/81/77/1025488177.db2.gz SQRFIYLXAGKIFA-UHFFFAOYSA-N -1 3 395.890 3.986 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC001141584798 1025722185 /nfs/dbraw/zinc/72/21/85/1025722185.db2.gz YHTSGQFZNSVJLH-AWEZNQCLSA-N -1 3 398.459 3.805 20 0 GHADHM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC001139063491 1025861445 /nfs/dbraw/zinc/86/14/45/1025861445.db2.gz UEAWCGCLSHAXIA-UHFFFAOYSA-N -1 3 390.505 3.594 20 0 GHADHM O=C(CC1CCN(CC(F)(F)F)CC1)Nc1ccc(Br)cc1[O-] ZINC001141623183 1025932128 /nfs/dbraw/zinc/93/21/28/1025932128.db2.gz YAPVIVSKASHKNA-UHFFFAOYSA-N -1 3 395.219 3.758 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162879119 1025950226 /nfs/dbraw/zinc/95/02/26/1025950226.db2.gz AUTJRQLAFZRAEI-UHFFFAOYSA-N -1 3 399.426 3.559 20 0 GHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162879119 1025950229 /nfs/dbraw/zinc/95/02/29/1025950229.db2.gz AUTJRQLAFZRAEI-UHFFFAOYSA-N -1 3 399.426 3.559 20 0 GHADHM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001141635096 1025976939 /nfs/dbraw/zinc/97/69/39/1025976939.db2.gz CCUGAWMSRKTBHW-CHWSQXEVSA-N -1 3 388.917 3.541 20 0 GHADHM Cc1c(C)c(-n2c3[n-]c(=O)sc3c(=O)nc2N)ccc1OCc1ccccc1 ZINC001163048617 1026025240 /nfs/dbraw/zinc/02/52/40/1026025240.db2.gz BIBNDIFRZVOIPC-UHFFFAOYSA-N -1 3 394.456 3.569 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)c1[O-] ZINC001141651649 1026074618 /nfs/dbraw/zinc/07/46/18/1026074618.db2.gz OJVBKDOYJNYVDP-UHFFFAOYSA-N -1 3 397.381 3.800 20 0 GHADHM O=C([O-])COc1ccc(Br)cc1CN1CC[C@@H](c2ccccc2)C1 ZINC001139237932 1026087746 /nfs/dbraw/zinc/08/77/46/1026087746.db2.gz UGJANVOMHBDBTA-OAHLLOKOSA-N -1 3 390.277 3.902 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000839672665 1026189189 /nfs/dbraw/zinc/18/91/89/1026189189.db2.gz YDERBRIPSKSJGN-HXUWFJFHSA-N -1 3 387.863 3.834 20 0 GHADHM COc1cc(C(=O)NCc2ccc(Oc3ccccc3)cn2)cc(OC)c1[O-] ZINC001163543395 1026229263 /nfs/dbraw/zinc/22/92/63/1026229263.db2.gz WGDHOEGWDYMKCZ-UHFFFAOYSA-N -1 3 380.400 3.527 20 0 GHADHM CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001141698962 1026282369 /nfs/dbraw/zinc/28/23/69/1026282369.db2.gz AEDPQMGATNIVKU-UHFFFAOYSA-N -1 3 392.253 3.937 20 0 GHADHM [O-]c1cc(F)c(CCNc2ccc3nnc(-c4ccc(F)cc4)n3n2)c(F)c1 ZINC001164212391 1026454367 /nfs/dbraw/zinc/45/43/67/1026454367.db2.gz OLVLWGLJJKFMJN-UHFFFAOYSA-N -1 3 385.349 3.569 20 0 GHADHM COc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1 ZINC001164406949 1026507888 /nfs/dbraw/zinc/50/78/88/1026507888.db2.gz ZUMHEHZWMJNROT-QZTJIDSGSA-N -1 3 383.444 3.701 20 0 GHADHM O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc2sccc2c([O-])c1 ZINC001139961822 1026764625 /nfs/dbraw/zinc/76/46/25/1026764625.db2.gz SPUSPYKGSWLMTH-ZDUSSCGKSA-N -1 3 397.374 3.969 20 0 GHADHM [O-]c1ccccc1-c1nnc(CSc2nnc(CCc3ccccc3)o2)o1 ZINC001165734619 1026811968 /nfs/dbraw/zinc/81/19/68/1026811968.db2.gz AZKJMYIQPHWHIP-UHFFFAOYSA-N -1 3 380.429 3.903 20 0 GHADHM C[C@H](NC(=O)Nc1ccccc1Oc1ccccn1)c1nc(C(F)(F)F)n[n-]1 ZINC001209878354 1027257874 /nfs/dbraw/zinc/25/78/74/1027257874.db2.gz IWHXMQZCODLZEQ-JTQLQIEISA-N -1 3 392.341 3.894 20 0 GHADHM COc1ccc(C(C)=O)cc1Nc1ccc([O-])c(I)c1 ZINC001210078140 1027335941 /nfs/dbraw/zinc/33/59/41/1027335941.db2.gz LPXZRNOYLSHEFW-UHFFFAOYSA-N -1 3 383.185 3.952 20 0 GHADHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001210292314 1027430052 /nfs/dbraw/zinc/43/00/52/1027430052.db2.gz UUZHNVAVVKFIOZ-IAQYHMDHSA-N -1 3 388.942 3.679 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC001210523843 1027542504 /nfs/dbraw/zinc/54/25/04/1027542504.db2.gz BHKFKFPUVPYECI-GFCCVEGCSA-N -1 3 375.824 3.754 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]C[C@H](O)c1cc2ccccc2s1 ZINC001210779147 1027649929 /nfs/dbraw/zinc/64/99/29/1027649929.db2.gz JRZKCPIMXVOJTG-HNNXBMFYSA-N -1 3 399.896 3.847 20 0 GHADHM O=C(C[N-]S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccccc1Cl ZINC001211466741 1027974095 /nfs/dbraw/zinc/97/40/95/1027974095.db2.gz CLYLFCNJHFSXON-UHFFFAOYSA-N -1 3 398.267 3.529 20 0 GHADHM Cc1ccc(Br)cc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001213136067 1028012117 /nfs/dbraw/zinc/01/21/17/1028012117.db2.gz ZVPJFMVZAWAAFE-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=c1cc(-c2nc(-c3cc(F)c(Br)cc3F)no2)nc(C2CC2)[n-]1 ZINC001213258706 1028073784 /nfs/dbraw/zinc/07/37/84/1028073784.db2.gz CYHXQZSIESPLRT-UHFFFAOYSA-N -1 3 395.163 3.817 20 0 GHADHM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(OCc2ccccc2)ccc1F ZINC001213276985 1028083073 /nfs/dbraw/zinc/08/30/73/1028083073.db2.gz NDFVJTGDPOJEEL-UHFFFAOYSA-N -1 3 390.411 3.927 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c(Cl)c1 ZINC001142109020 1028127562 /nfs/dbraw/zinc/12/75/62/1028127562.db2.gz GOUGJNNEGYUGMV-GBESFXJTSA-N -1 3 395.286 3.905 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3c(Cl)cc([O-])cc3Cl)C2)CN1c1ccccn1 ZINC001142111822 1028143202 /nfs/dbraw/zinc/14/32/02/1028143202.db2.gz ZVJQKUWXKJSKLI-LJQANCHMSA-N -1 3 392.286 3.723 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCCn3c(Cn4cccc4)nnc3C2)c(Cl)c1 ZINC001142111471 1028143623 /nfs/dbraw/zinc/14/36/23/1028143623.db2.gz MIPCOWVMCZEJMV-UHFFFAOYSA-N -1 3 392.290 3.546 20 0 GHADHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001213372792 1028145495 /nfs/dbraw/zinc/14/54/95/1028145495.db2.gz DQXLWWSSTSVRBR-CQSZACIVSA-N -1 3 396.372 3.510 20 0 GHADHM O=C(c1ccc(F)cc1)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142114219 1028155366 /nfs/dbraw/zinc/15/53/66/1028155366.db2.gz CGMUPNQPRCIMRP-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM O=C1Nc2ccccc2CN1C1CN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142118404 1028168375 /nfs/dbraw/zinc/16/83/75/1028168375.db2.gz KEASUPHOVUJGQF-UHFFFAOYSA-N -1 3 378.259 3.931 20 0 GHADHM O=C(NC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1)N1CCCCC1 ZINC001142118257 1028168721 /nfs/dbraw/zinc/16/87/21/1028168721.db2.gz DUAGMSAIVVKETI-UHFFFAOYSA-N -1 3 386.323 3.859 20 0 GHADHM CC1(C)OC[C@@H]([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)[C@@H](c2ccccc2)O1 ZINC001213577469 1028276356 /nfs/dbraw/zinc/27/63/56/1028276356.db2.gz BGZHSNGXTPLLEJ-QKXOAMIZSA-N -1 3 391.464 3.609 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(NC(=O)OC(C)(C)C)c2)o1 ZINC001213579479 1028277314 /nfs/dbraw/zinc/27/73/14/1028277314.db2.gz CSWRKOGTONSOPD-UHFFFAOYSA-N -1 3 384.429 3.553 20 0 GHADHM COCOc1ccc(Br)cc1-c1noc(-c2nc(C)ccc2[O-])n1 ZINC001213699329 1028337906 /nfs/dbraw/zinc/33/79/06/1028337906.db2.gz DLIVKZDYVDEAIY-UHFFFAOYSA-N -1 3 392.209 3.558 20 0 GHADHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001213765332 1028369357 /nfs/dbraw/zinc/36/93/57/1028369357.db2.gz DRFMUTSDAYTUMA-OAQYLSRUSA-N -1 3 389.517 3.741 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)c1Cl ZINC001213929403 1028456690 /nfs/dbraw/zinc/45/66/90/1028456690.db2.gz WBOPYRIGLMMQPT-IUODEOHRSA-N -1 3 378.321 3.785 20 0 GHADHM COc1cc(Cl)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC001142297552 1028605957 /nfs/dbraw/zinc/60/59/57/1028605957.db2.gz WTQVUVTXOFARRS-UHFFFAOYSA-N -1 3 395.286 3.666 20 0 GHADHM NC(=O)c1ccc(Nc2c(Br)cccc2OC(F)(F)F)cc1[O-] ZINC001214523428 1028775583 /nfs/dbraw/zinc/77/55/83/1028775583.db2.gz YUJCNZRTAVXCKU-UHFFFAOYSA-N -1 3 391.143 3.896 20 0 GHADHM CN1CCN(Cc2ccc(Nc3cc(C(=O)[O-])c(Cl)cc3F)cc2)CC1 ZINC001214745332 1028895527 /nfs/dbraw/zinc/89/55/27/1028895527.db2.gz KUYGFGPOOOMXFH-UHFFFAOYSA-N -1 3 377.847 3.668 20 0 GHADHM CCOc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(F)c1 ZINC001142493114 1028996188 /nfs/dbraw/zinc/99/61/88/1028996188.db2.gz MRJLXQRMJCUXQJ-UHFFFAOYSA-N -1 3 396.422 3.662 20 0 GHADHM COc1cc(-c2noc(-c3ccccc3[O-])n2)cc(Br)c1OC ZINC001215141819 1029056081 /nfs/dbraw/zinc/05/60/81/1029056081.db2.gz AORVJDFAXHEWGT-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(Br)c(OC)c3)no2)c1[O-] ZINC001215143546 1029057349 /nfs/dbraw/zinc/05/73/49/1029057349.db2.gz AWDOWGFPMSHHQJ-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM N=c1nnc(-c2cccc(Cl)c2Cl)c(N)n1-c1c([O-])cccc1Cl ZINC001215983306 1029479835 /nfs/dbraw/zinc/47/98/35/1029479835.db2.gz RMRFMUZOQBAQCD-UHFFFAOYSA-N -1 3 382.638 3.662 20 0 GHADHM Cc1ccc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)cc1Br ZINC001216014444 1029493017 /nfs/dbraw/zinc/49/30/17/1029493017.db2.gz NFZCRCVYZGXXQS-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM Cc1ccc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)cc1Br ZINC001216014444 1029493024 /nfs/dbraw/zinc/49/30/24/1029493024.db2.gz NFZCRCVYZGXXQS-UHFFFAOYSA-N -1 3 383.209 3.655 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1ccc(N2CCNC2=O)cc1 ZINC000842740283 1029547227 /nfs/dbraw/zinc/54/72/27/1029547227.db2.gz NPCDPIWEYLQECM-LBPRGKRZSA-N -1 3 390.281 3.535 20 0 GHADHM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001142855212 1029590933 /nfs/dbraw/zinc/59/09/33/1029590933.db2.gz NGHVWGCOYXXDKY-UHFFFAOYSA-N -1 3 392.846 3.639 20 0 GHADHM Cc1ccc(C[C@@H](NCc2cc(Br)cnc2Cl)C(=O)[O-])cc1C ZINC000843303791 1029901406 /nfs/dbraw/zinc/90/14/06/1029901406.db2.gz HBGWHXVWMOGRDI-OAHLLOKOSA-N -1 3 397.700 3.900 20 0 GHADHM [O-]c1ccc(O)cc1-c1nc(-c2cccc(I)c2F)no1 ZINC001216735768 1029911903 /nfs/dbraw/zinc/91/19/03/1029911903.db2.gz VGJRAXBMCUFZRD-UHFFFAOYSA-N -1 3 398.131 3.559 20 0 GHADHM COc1ccc(OC)c(-c2noc(-c3cc([O-])ccc3Br)n2)c1 ZINC001216847008 1029961541 /nfs/dbraw/zinc/96/15/41/1029961541.db2.gz KGCDQGDXBMKCAH-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1cc(OC)cc(-c2noc(-c3cc([O-])ccc3Br)n2)c1 ZINC001216847062 1029961599 /nfs/dbraw/zinc/96/15/99/1029961599.db2.gz NEPSQYPGRXIKDO-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1ncc(Cl)cc1-c1noc(-c2cc([O-])ccc2Br)n1 ZINC001216848039 1029961961 /nfs/dbraw/zinc/96/19/61/1029961961.db2.gz BJHVJXFZKXNKHA-UHFFFAOYSA-N -1 3 382.601 3.929 20 0 GHADHM C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001222115330 1029969901 /nfs/dbraw/zinc/96/99/01/1029969901.db2.gz QFSWPKSIUQALJE-FMKPAKJESA-N -1 3 397.441 3.947 20 0 GHADHM Cc1ccc(Br)c(-c2noc(-c3cccc(OCCO)c3[O-])n2)c1 ZINC001216959559 1030033407 /nfs/dbraw/zinc/03/34/07/1030033407.db2.gz UAVSFXWKDZXWBV-UHFFFAOYSA-N -1 3 391.221 3.551 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cc(F)c(Cl)cc3F)no2)c1C ZINC001216961725 1030034498 /nfs/dbraw/zinc/03/44/98/1030034498.db2.gz KYFBXZHXQXMEFG-UHFFFAOYSA-N -1 3 391.761 3.920 20 0 GHADHM COc1ccc(Cl)cc1-c1noc(-c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC001217018790 1030095083 /nfs/dbraw/zinc/09/50/83/1030095083.db2.gz FZWVDQMPBNUYON-UHFFFAOYSA-N -1 3 397.815 3.576 20 0 GHADHM Cc1cc(F)c(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc1F ZINC001217018934 1030095308 /nfs/dbraw/zinc/09/53/08/1030095308.db2.gz YRSRIOOQJNHHQO-UHFFFAOYSA-N -1 3 383.351 3.501 20 0 GHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC001149445085 1030177180 /nfs/dbraw/zinc/17/71/80/1030177180.db2.gz GLGBKPYAKIHLHF-UHFFFAOYSA-N -1 3 386.467 3.744 20 0 GHADHM O=C(NCCc1cc(F)cc(F)c1)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150477360 1030539888 /nfs/dbraw/zinc/53/98/88/1030539888.db2.gz VECSHDUBQUUNRB-UHFFFAOYSA-N -1 3 396.315 3.798 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H](C)c3ccc(OC)nc3)nc21 ZINC001223404266 1030558696 /nfs/dbraw/zinc/55/86/96/1030558696.db2.gz RCWKRKSWPVDLCN-XTZNXHDOSA-N -1 3 393.802 3.850 20 0 GHADHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H](C)c3ccc(OC)nc3)[n-]c21 ZINC001223404266 1030558707 /nfs/dbraw/zinc/55/87/07/1030558707.db2.gz RCWKRKSWPVDLCN-XTZNXHDOSA-N -1 3 393.802 3.850 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H]3CCCn4cc(C)nc43)nc21 ZINC001223404862 1030559183 /nfs/dbraw/zinc/55/91/83/1030559183.db2.gz XJJCBJRDJSNZOD-ACJLOTCBSA-N -1 3 392.818 3.725 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H]3CCCn4cc(C)nc43)[n-]c21 ZINC001223404862 1030559190 /nfs/dbraw/zinc/55/91/90/1030559190.db2.gz XJJCBJRDJSNZOD-ACJLOTCBSA-N -1 3 392.818 3.725 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cccc3ccc(C)nc32)no1 ZINC001217636371 1030560708 /nfs/dbraw/zinc/56/07/08/1030560708.db2.gz ATBSPVOBRUEIAN-UHFFFAOYSA-N -1 3 385.383 3.923 20 0 GHADHM Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001150774652 1030653873 /nfs/dbraw/zinc/65/38/73/1030653873.db2.gz DDELJCAYYGBBMM-HNNXBMFYSA-N -1 3 386.448 3.706 20 0 GHADHM COc1ccc(-c2ncc(C(=O)[N-]c3ccnc(F)c3F)s2)cc1OC ZINC001461695552 1069683872 /nfs/dbraw/zinc/68/38/72/1069683872.db2.gz UHIVSZCDUKIHDZ-UHFFFAOYSA-N -1 3 377.372 3.753 20 0 GHADHM C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C1CC[NH2+]CC1 ZINC001218007324 1030718207 /nfs/dbraw/zinc/71/82/07/1030718207.db2.gz WDCVVTFQOHRDON-CYBMUJFWSA-N -1 3 381.428 3.638 20 0 GHADHM CN(C)c1ccc([S@](C)(=O)=NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC001151166377 1030788024 /nfs/dbraw/zinc/78/80/24/1030788024.db2.gz ATDSBZQSOMEYID-SANMLTNESA-N -1 3 386.395 3.774 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc2c(cccc2Br)s1 ZINC001151175992 1030794116 /nfs/dbraw/zinc/79/41/16/1030794116.db2.gz DKBHOLIIRGLZOS-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc2c(cccc2Br)s1 ZINC001151175992 1030794131 /nfs/dbraw/zinc/79/41/31/1030794131.db2.gz DKBHOLIIRGLZOS-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc(-c2ccccn2)no1 ZINC001151365318 1030880256 /nfs/dbraw/zinc/88/02/56/1030880256.db2.gz UTFUVRUJIIXGFU-UHFFFAOYSA-N -1 3 376.372 3.647 20 0 GHADHM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001151625498 1030958236 /nfs/dbraw/zinc/95/82/36/1030958236.db2.gz PHWOXTDQJLMRDL-SMDDNHRTSA-N -1 3 389.274 3.638 20 0 GHADHM COc1cccc2ncnc(NC(=O)c3nc4cc(Br)ccc4[n-]3)c21 ZINC001151821954 1031017755 /nfs/dbraw/zinc/01/77/55/1031017755.db2.gz ZQWCFOCZTMGKOJ-UHFFFAOYSA-N -1 3 398.220 3.530 20 0 GHADHM COc1cccc2ncnc(NC(=O)c3nc4ccc(Br)cc4[n-]3)c21 ZINC001151821954 1031017771 /nfs/dbraw/zinc/01/77/71/1031017771.db2.gz ZQWCFOCZTMGKOJ-UHFFFAOYSA-N -1 3 398.220 3.530 20 0 GHADHM COC(=O)c1ccc(N)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC001219152222 1031275192 /nfs/dbraw/zinc/27/51/92/1031275192.db2.gz PBKKPZLCZFIQQG-UHFFFAOYSA-N -1 3 392.411 3.592 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=S)ncc2C2CC2)[C@H](F)C1 ZINC001226116320 1031795296 /nfs/dbraw/zinc/79/52/96/1031795296.db2.gz AOGHMJOAPQFYSM-ZIAGYGMSSA-N -1 3 383.489 3.759 20 0 GHADHM COc1ccccc1[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)C1 ZINC001153900021 1031799786 /nfs/dbraw/zinc/79/97/86/1031799786.db2.gz QTOMMWJUKCERMG-CYBMUJFWSA-N -1 3 382.847 3.820 20 0 GHADHM Cc1cc(C)cc(OC[C@@H](C)NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c1 ZINC001153906395 1031803738 /nfs/dbraw/zinc/80/37/38/1031803738.db2.gz VICJICJQFQNAGD-CQSZACIVSA-N -1 3 384.863 3.996 20 0 GHADHM CC(C)(C)OC(=O)N1[C@H](CCC(=O)[N-]OCc2ccc(F)cc2)COC1(C)C ZINC001154000200 1031863816 /nfs/dbraw/zinc/86/38/16/1031863816.db2.gz XBJJVLRBSSGUTC-MRXNPFEDSA-N -1 3 396.459 3.526 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001226478908 1031974133 /nfs/dbraw/zinc/97/41/33/1031974133.db2.gz JJBCBPWZYVTPFT-WDNDVIMCSA-N -1 3 377.437 3.610 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1O ZINC001226479251 1031974292 /nfs/dbraw/zinc/97/42/92/1031974292.db2.gz MRPDWKPIMRNUST-IERDGZPVSA-N -1 3 391.464 3.859 20 0 GHADHM O=C(N[C@@H](c1ccncc1C(F)(F)F)C1CC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154212048 1031988225 /nfs/dbraw/zinc/98/82/25/1031988225.db2.gz GHNJDSNJBRFWNE-OAHLLOKOSA-N -1 3 376.338 3.563 20 0 GHADHM CCN(CC)C(=O)[C@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])c1ccccc1 ZINC001226532535 1031999198 /nfs/dbraw/zinc/99/91/98/1031999198.db2.gz SLIIKUDYOHYZPR-OAQYLSRUSA-N -1 3 381.428 3.796 20 0 GHADHM O=C([N-]c1c(F)cc(F)c(F)c1Br)c1nc2ccccn2c1F ZINC001154243794 1032002680 /nfs/dbraw/zinc/00/26/80/1032002680.db2.gz KJNGLVUBKOCERC-UHFFFAOYSA-N -1 3 388.118 3.906 20 0 GHADHM C[C@H]1C[C@@H](Oc2[n-]c(=O)nc3nc(Cl)ccc32)CCN1C(=O)OC(C)(C)C ZINC001226550310 1032008402 /nfs/dbraw/zinc/00/84/02/1032008402.db2.gz NXXWLTLABFCRBN-QWRGUYRKSA-N -1 3 394.859 3.551 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226594764 1032030294 /nfs/dbraw/zinc/03/02/94/1032030294.db2.gz APHUICMSFQTLLC-YCRPNKLZSA-N -1 3 387.432 3.667 20 0 GHADHM O=c1ccc2ccc([O-])c(OC[C@@H]3Cc4cccc(Br)c4O3)c2o1 ZINC001226596162 1032032822 /nfs/dbraw/zinc/03/28/22/1032032822.db2.gz JQSPXUOPMMXUGZ-LBPRGKRZSA-N -1 3 389.201 3.644 20 0 GHADHM COC(=O)[C@@H]1CC[C@H](Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229266402 1033379305 /nfs/dbraw/zinc/37/93/05/1033379305.db2.gz BYHGYNWGILRFJC-CABCVRRESA-N -1 3 380.396 3.886 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC001157221181 1033479116 /nfs/dbraw/zinc/47/91/16/1033479116.db2.gz FVALHVVVGMFDLZ-YESZJQIVSA-N -1 3 397.519 3.869 20 0 GHADHM CC(C)N1CCN(Cc2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)c(F)c2)CC1 ZINC001206058313 1033702584 /nfs/dbraw/zinc/70/25/84/1033702584.db2.gz QKGVCYQFROQUEI-UHFFFAOYSA-N -1 3 392.421 3.995 20 0 GHADHM O=c1nc(O[C@H]2CCOc3ccccc32)c2c([n-]1)CN(Cc1ccccc1)CC2 ZINC001230187567 1033936171 /nfs/dbraw/zinc/93/61/71/1033936171.db2.gz AIRYULUYTCKUEF-NRFANRHFSA-N -1 3 389.455 3.643 20 0 GHADHM Cc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001158344589 1034035040 /nfs/dbraw/zinc/03/50/40/1034035040.db2.gz DNZZARSACMEBBP-INIZCTEOSA-N -1 3 393.443 3.619 20 0 GHADHM Cc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001158344589 1034035054 /nfs/dbraw/zinc/03/50/54/1034035054.db2.gz DNZZARSACMEBBP-INIZCTEOSA-N -1 3 393.443 3.619 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCCCC2CC2)c2ccccc21)C(F)(F)F ZINC001230426518 1034047152 /nfs/dbraw/zinc/04/71/52/1034047152.db2.gz HGUFPTZDQOQRLR-CQSZACIVSA-N -1 3 383.414 3.559 20 0 GHADHM Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001158784435 1034271224 /nfs/dbraw/zinc/27/12/24/1034271224.db2.gz QQCQMDKWWGAXJG-QAQDUYKDSA-N -1 3 383.492 3.835 20 0 GHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)c1ccc(OC)c(OC)c1 ZINC001231088196 1034389115 /nfs/dbraw/zinc/38/91/15/1034389115.db2.gz MMCGGXRAAMULJE-SNVBAGLBSA-N -1 3 381.812 3.775 20 0 GHADHM CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063379 1034407492 /nfs/dbraw/zinc/40/74/92/1034407492.db2.gz LKEHCPQAWFGBMW-FQEVSTJZSA-N -1 3 390.484 3.784 20 0 GHADHM CCOC(=O)CC(CC(=O)OCC)Oc1ccccc1Oc1ccccc1[O-] ZINC001231222676 1034469710 /nfs/dbraw/zinc/46/97/10/1034469710.db2.gz IHHQXTNIELNSDD-UHFFFAOYSA-N -1 3 388.416 3.838 20 0 GHADHM O=C1C[C@H](Oc2ccccc2Oc2ccccc2[O-])C(=O)N1Cc1ccccc1 ZINC001231222909 1034471452 /nfs/dbraw/zinc/47/14/52/1034471452.db2.gz KSPMACNYMIZDER-NRFANRHFSA-N -1 3 389.407 3.891 20 0 GHADHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001231521124 1034671944 /nfs/dbraw/zinc/67/19/44/1034671944.db2.gz BOGAHZPQWCYFGN-MRXNPFEDSA-N -1 3 382.426 3.682 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523713 1034674996 /nfs/dbraw/zinc/67/49/96/1034674996.db2.gz WSBIMUPJHOTJQT-LSDHHAIUSA-N -1 3 386.414 3.995 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)n1 ZINC001231669994 1034823834 /nfs/dbraw/zinc/82/38/34/1034823834.db2.gz VMYUEVITGIVOEL-IBGZPJMESA-N -1 3 383.492 3.890 20 0 GHADHM COCCCCN1CCN(Cc2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC001231681626 1034831601 /nfs/dbraw/zinc/83/16/01/1034831601.db2.gz KHXUSPFUJYIRCI-UHFFFAOYSA-N -1 3 382.504 3.596 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC001208284974 1034846239 /nfs/dbraw/zinc/84/62/39/1034846239.db2.gz CVXPLMGWXGXCHU-SNVBAGLBSA-N -1 3 376.812 3.684 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)sc1Cl ZINC001208334625 1034861742 /nfs/dbraw/zinc/86/17/42/1034861742.db2.gz ICDJOUXTSMUXEF-UHFFFAOYSA-N -1 3 386.926 3.905 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001160132368 1034875078 /nfs/dbraw/zinc/87/50/78/1034875078.db2.gz IEDZRARVSVKZHQ-UHFFFAOYSA-N -1 3 392.764 3.797 20 0 GHADHM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3cc(Cl)cnc3Cl)cc2c1C ZINC001208586580 1034943661 /nfs/dbraw/zinc/94/36/61/1034943661.db2.gz IWMLBTBRIWZONZ-UHFFFAOYSA-N -1 3 384.288 3.965 20 0 GHADHM O=C(NCC1(c2ccc(Br)cc2)CCC1)c1c([O-])cccc1O ZINC001160618173 1035017992 /nfs/dbraw/zinc/01/79/92/1035017992.db2.gz PNYVFUQSNBZWSQ-UHFFFAOYSA-N -1 3 376.250 3.712 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)N1CCc2ccccc21 ZINC001208846992 1035055038 /nfs/dbraw/zinc/05/50/38/1035055038.db2.gz UAFFKTNOMYRGAR-OAHLLOKOSA-N -1 3 399.541 3.540 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)cc1F ZINC001209065618 1035161798 /nfs/dbraw/zinc/16/17/98/1035161798.db2.gz URXQJBGRXSQBDT-UHFFFAOYSA-N -1 3 396.459 3.858 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1 ZINC001209684356 1035355204 /nfs/dbraw/zinc/35/52/04/1035355204.db2.gz ZRLVTKHYKUBMID-ZJUUUORDSA-N -1 3 376.956 3.902 20 0 GHADHM COC(=O)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1-c1ccc(F)cc1 ZINC001241442533 1035581728 /nfs/dbraw/zinc/58/17/28/1035581728.db2.gz LRSWMCDYHRIEPF-UHFFFAOYSA-N -1 3 375.363 3.521 20 0 GHADHM COC(=O)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1-c1ccc(F)cc1 ZINC001241442533 1035581738 /nfs/dbraw/zinc/58/17/38/1035581738.db2.gz LRSWMCDYHRIEPF-UHFFFAOYSA-N -1 3 375.363 3.521 20 0 GHADHM O=C(NC(=S)Nc1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC001248186301 1035614558 /nfs/dbraw/zinc/61/45/58/1035614558.db2.gz KSTCDRLSZAIJPZ-UHFFFAOYSA-N -1 3 385.670 3.935 20 0 GHADHM O=C(NC(=S)Nc1cc(Br)ccc1[O-])c1ccc(Cl)cc1 ZINC001248186288 1035614740 /nfs/dbraw/zinc/61/47/40/1035614740.db2.gz KNOIUPHJSJRENK-UHFFFAOYSA-N -1 3 385.670 3.935 20 0 GHADHM CCOc1ccc(F)c(-c2ccc(F)c(-c3nnn[n-]3)c2)c1Br ZINC001243257434 1036082084 /nfs/dbraw/zinc/08/20/84/1036082084.db2.gz NWTUIXRPCVVVAM-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCOc1ccc(F)c(-c2ccc(F)c(-c3nn[n-]n3)c2)c1Br ZINC001243257434 1036082101 /nfs/dbraw/zinc/08/21/01/1036082101.db2.gz NWTUIXRPCVVVAM-UHFFFAOYSA-N -1 3 381.180 3.973 20 0 GHADHM CCOC(=O)c1sc2nc(CN(C)C)nc(-c3cccc([O-])c3F)c2c1C ZINC001243544063 1036203944 /nfs/dbraw/zinc/20/39/44/1036203944.db2.gz KADYXGPIWFTQQT-UHFFFAOYSA-N -1 3 389.452 3.750 20 0 GHADHM COc1ccccc1-n1cc(-c2ccc(OC(F)(F)F)cc2[O-])ncc1=O ZINC001244467465 1036515618 /nfs/dbraw/zinc/51/56/18/1036515618.db2.gz MZDMURHKDMLWEB-UHFFFAOYSA-N -1 3 378.306 3.512 20 0 GHADHM COc1cc(NC(=S)Nc2cc(Br)ccc2[O-])cc(OC)c1 ZINC001244974980 1036719925 /nfs/dbraw/zinc/71/99/25/1036719925.db2.gz NLSURTZDYJHBIX-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM O=C([O-])c1cc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c(Cl)cc1Cl ZINC001245001167 1036729316 /nfs/dbraw/zinc/72/93/16/1036729316.db2.gz QLPHLLIZRAENMP-CYBMUJFWSA-N -1 3 378.259 3.958 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(C(=O)N(C)c4ccccc4)cc3)ccc2[n-]1 ZINC001245124599 1036768590 /nfs/dbraw/zinc/76/85/90/1036768590.db2.gz OZJRHRSQZXAGEV-UHFFFAOYSA-N -1 3 386.411 3.640 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(C(=O)N(C)c4ccccc4)cc3)[n-]c-2n1 ZINC001245124599 1036768612 /nfs/dbraw/zinc/76/86/12/1036768612.db2.gz OZJRHRSQZXAGEV-UHFFFAOYSA-N -1 3 386.411 3.640 20 0 GHADHM [O-]c1cc(Br)cnc1CN(Cc1ccc(F)cc1)C1CCOCC1 ZINC001462188852 1070067034 /nfs/dbraw/zinc/06/70/34/1070067034.db2.gz NKXFRWUWYDIFLH-UHFFFAOYSA-N -1 3 395.272 3.870 20 0 GHADHM O=C([N-]c1ccc(Cl)cn1)c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001247263740 1038042257 /nfs/dbraw/zinc/04/22/57/1038042257.db2.gz SKWYFJNGPIWHIW-UHFFFAOYSA-N -1 3 384.701 3.936 20 0 GHADHM CCCCc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC001247432379 1038185577 /nfs/dbraw/zinc/18/55/77/1038185577.db2.gz KTKBROYKDNXSQW-UHFFFAOYSA-N -1 3 385.489 3.866 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001232702992 1038503914 /nfs/dbraw/zinc/50/39/14/1038503914.db2.gz LWVVMFIAEAYSKS-UHFFFAOYSA-N -1 3 383.250 3.796 20 0 GHADHM CC1(C)CN(Cc2ccc([O-])c(I)c2)CCC1(F)F ZINC001232867360 1038630687 /nfs/dbraw/zinc/63/06/87/1038630687.db2.gz DVNXYAQTZLNDEF-UHFFFAOYSA-N -1 3 381.204 3.864 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1I ZINC001232869695 1038636449 /nfs/dbraw/zinc/63/64/49/1038636449.db2.gz HIVDKJATFFAKAJ-OAHLLOKOSA-N -1 3 380.229 3.729 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232970301 1038742180 /nfs/dbraw/zinc/74/21/80/1038742180.db2.gz JLKIAWGWTJUKSL-UHFFFAOYSA-N -1 3 382.451 3.940 20 0 GHADHM Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(Cc3cc([O-])c(F)c(F)c3)C[C@H]21 ZINC001232970308 1038742359 /nfs/dbraw/zinc/74/23/59/1038742359.db2.gz JQGARKCISXUMHI-ZBFHGGJFSA-N -1 3 399.416 3.982 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2Cc2cc(Cl)ncc2[O-])C1 ZINC001233032196 1038785109 /nfs/dbraw/zinc/78/51/09/1038785109.db2.gz GOUMOVOJSIOSLZ-LJQANCHMSA-N -1 3 381.904 3.806 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC001252237307 1038912359 /nfs/dbraw/zinc/91/23/59/1038912359.db2.gz JTQMTMKNHNVUGW-KRWDZBQOSA-N -1 3 381.398 3.956 20 0 GHADHM [O-]c1ccc(F)c(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)c1F ZINC001233394512 1039228673 /nfs/dbraw/zinc/22/86/73/1039228673.db2.gz QRXTTZINNNJXAC-IBGZPJMESA-N -1 3 395.400 3.803 20 0 GHADHM [O-]c1ccc(F)c(CN2CCCN(c3ncccc3C(F)(F)F)CC2)c1F ZINC001233396053 1039230362 /nfs/dbraw/zinc/23/03/62/1039230362.db2.gz HHZBTWMUPBIYOH-UHFFFAOYSA-N -1 3 387.352 3.797 20 0 GHADHM Cc1cccc(CN2CC[C@@]3(CCN(Cc4c(F)ccc([O-])c4F)C3)C2=O)c1 ZINC001233395037 1039230779 /nfs/dbraw/zinc/23/07/79/1039230779.db2.gz JXAKLZDPISXGRV-JOCHJYFZSA-N -1 3 386.442 3.603 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233396388 1039231388 /nfs/dbraw/zinc/23/13/88/1039231388.db2.gz AAHDEUJCWMJNJV-UHFFFAOYSA-N -1 3 386.464 3.735 20 0 GHADHM CC(C)Oc1ccccc1OC[C@H](O)CNc1cccc([O-])c1Br ZINC001254013727 1039954364 /nfs/dbraw/zinc/95/43/64/1039954364.db2.gz LRQLMHYMHRHPEM-CYBMUJFWSA-N -1 3 396.281 3.794 20 0 GHADHM COC(=O)C1=C[C@@H](Oc2c([O-])cc(Cl)cc2F)CN(Cc2ccccc2)C1 ZINC001234445419 1040039706 /nfs/dbraw/zinc/03/97/06/1040039706.db2.gz ZHIUUIIHJRCAJU-MRXNPFEDSA-N -1 3 391.826 3.547 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Br)c1cccc(C(F)(F)F)c1 ZINC001254208908 1040063969 /nfs/dbraw/zinc/06/39/69/1040063969.db2.gz YDCIOMRULODJIU-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCCN(C)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759206 1040289030 /nfs/dbraw/zinc/28/90/30/1040289030.db2.gz NOUXJQRQBMTCBI-YJBOKZPZSA-N -1 3 383.444 3.580 20 0 GHADHM COc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c(C)c1OC ZINC001462515709 1070317965 /nfs/dbraw/zinc/31/79/65/1070317965.db2.gz JDNWHPHLFSMYRR-UHFFFAOYSA-N -1 3 390.911 3.689 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccncc2)CCC(F)(F)CC1)c1ccccc1F ZINC001255545351 1041122989 /nfs/dbraw/zinc/12/29/89/1041122989.db2.gz ZGJXAZZTIWKOPP-UHFFFAOYSA-N -1 3 384.423 3.690 20 0 GHADHM Cc1cc(Br)cc(C)c1CN1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001235792203 1041286433 /nfs/dbraw/zinc/28/64/33/1041286433.db2.gz ZHPKMIDRQKHFHM-UHFFFAOYSA-N -1 3 393.247 3.709 20 0 GHADHM [O-]c1ccc(CN2CCN[C@H](c3cccc(Br)c3)C2)c(F)c1F ZINC001235793022 1041288631 /nfs/dbraw/zinc/28/86/31/1041288631.db2.gz OURBSSJHGVGOIH-AWEZNQCLSA-N -1 3 383.236 3.579 20 0 GHADHM CC(C)(C)CC(=O)NC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236695916 1041837827 /nfs/dbraw/zinc/83/78/27/1041837827.db2.gz QBGGLURGNCUKSC-UHFFFAOYSA-N -1 3 383.330 3.672 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)ccc1F ZINC001236702330 1041841913 /nfs/dbraw/zinc/84/19/13/1041841913.db2.gz PLFWFNXPZOPEOS-LJQANCHMSA-N -1 3 377.410 3.664 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c([O-])c2)C[C@H]1C(F)(F)F ZINC001236713062 1041849252 /nfs/dbraw/zinc/84/92/52/1041849252.db2.gz MCXGJVGAPNJVLZ-AWEZNQCLSA-N -1 3 378.366 3.515 20 0 GHADHM O=c1[n-]c(Cl)c(CN2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)s1 ZINC001237148739 1042064361 /nfs/dbraw/zinc/06/43/61/1042064361.db2.gz AMNVLEJICZGUAU-KBXCAEBGSA-N -1 3 386.945 3.832 20 0 GHADHM Cc1cccc(NC(=O)NC2CCN(Cc3sc(=O)[n-]c3Cl)CC2)c1 ZINC001237153268 1042066999 /nfs/dbraw/zinc/06/69/99/1042066999.db2.gz BVVYMXSNHRBTNN-UHFFFAOYSA-N -1 3 380.901 3.597 20 0 GHADHM [O-]c1c(Cl)nc(Cl)cc1CN1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237521957 1042248454 /nfs/dbraw/zinc/24/84/54/1042248454.db2.gz GILDPXUYVVBEIS-AAEUAGOBSA-N -1 3 399.347 3.647 20 0 GHADHM CCc1cc(Br)ccc1CN1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001237749749 1042352647 /nfs/dbraw/zinc/35/26/47/1042352647.db2.gz NADLHXLCCNMVGZ-UHFFFAOYSA-N -1 3 393.247 3.654 20 0 GHADHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(N)c(Cl)c1 ZINC001237906523 1042417840 /nfs/dbraw/zinc/41/78/40/1042417840.db2.gz SJIMULNVQFDDMH-UHFFFAOYSA-N -1 3 375.675 3.794 20 0 GHADHM COC(=O)[C@H]1CN(Cc2cc(F)c([O-])c(Cl)c2)C[C@@H]1c1ccc(F)cc1 ZINC001237993088 1042447839 /nfs/dbraw/zinc/44/78/39/1042447839.db2.gz QMLAJEYXNDVFDV-CABCVRRESA-N -1 3 381.806 3.712 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCc2ccccc2N1)c1ccc(F)cc1C(F)(F)F ZINC001238778038 1042724308 /nfs/dbraw/zinc/72/43/08/1042724308.db2.gz NLSMRTJGRCSBSN-CYBMUJFWSA-N -1 3 388.386 3.550 20 0 GHADHM O=C([O-])c1cc(-c2ccc(-c3ncc4c(n3)CCNC4)cc2)nc2ccccc21 ZINC001240885698 1042962707 /nfs/dbraw/zinc/96/27/07/1042962707.db2.gz FGXKTKJLPBMHRN-UHFFFAOYSA-N -1 3 382.423 3.703 20 0 GHADHM O=C([O-])c1cc(-c2ccc(-c3ncc4c(n3)CNCC4)cc2)nc2ccccc21 ZINC001240885987 1042962943 /nfs/dbraw/zinc/96/29/43/1042962943.db2.gz HCEKUZWVKMIHLB-UHFFFAOYSA-N -1 3 382.423 3.703 20 0 GHADHM C=CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC001291584321 1043350394 /nfs/dbraw/zinc/35/03/94/1043350394.db2.gz BNIGPFBQJWWUKO-UHFFFAOYSA-N -1 3 388.427 3.788 20 0 GHADHM O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001291601645 1043355559 /nfs/dbraw/zinc/35/55/59/1043355559.db2.gz CIOGRGZJEHVMEW-UHFFFAOYSA-N -1 3 385.439 3.598 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2F)CCOCC1)c1ccc(Cl)s1 ZINC001256519418 1043445181 /nfs/dbraw/zinc/44/51/81/1043445181.db2.gz MZPGCATYCPJGEV-UHFFFAOYSA-N -1 3 389.901 3.567 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCc2ccc3c(c21)CCO3)c1ccc(Cl)s1 ZINC001256541306 1043494156 /nfs/dbraw/zinc/49/41/56/1043494156.db2.gz IXCAEODPKJPRTR-LBPRGKRZSA-N -1 3 383.922 3.735 20 0 GHADHM CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)NC(=O)OC(C)(C)C ZINC001256542558 1043496707 /nfs/dbraw/zinc/49/67/07/1043496707.db2.gz WVDWBDPPBLFUGD-LLVKDONJSA-N -1 3 396.962 3.619 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F ZINC001462736250 1070509354 /nfs/dbraw/zinc/50/93/54/1070509354.db2.gz BZKSEBXHFQLRRJ-IBGZPJMESA-N -1 3 397.443 3.720 20 0 GHADHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC001462758433 1070527266 /nfs/dbraw/zinc/52/72/66/1070527266.db2.gz SMBRXZDFBAJEKQ-UHFFFAOYSA-N -1 3 392.830 3.774 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1nc(C(F)F)nc2ccccc21 ZINC001307153711 1043932341 /nfs/dbraw/zinc/93/23/41/1043932341.db2.gz OPYXLQHQCYZFAZ-MNOVXSKESA-N -1 3 387.390 3.743 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C2OCCO2)cc1)c1cccc(Cl)c1Cl ZINC001257293926 1043959090 /nfs/dbraw/zinc/95/90/90/1043959090.db2.gz VQGQRYJBXHKQRQ-UHFFFAOYSA-N -1 3 388.272 3.517 20 0 GHADHM COC(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC001257293370 1043959126 /nfs/dbraw/zinc/95/91/26/1043959126.db2.gz MNLWXSCLKGZHGX-UHFFFAOYSA-N -1 3 380.293 3.538 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC001257299878 1043960594 /nfs/dbraw/zinc/96/05/94/1043960594.db2.gz BQNRKNOZHOCRQB-GFCCVEGCSA-N -1 3 380.680 3.659 20 0 GHADHM O=S(=O)([N-][C@@H](CCO)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC001257770466 1044162122 /nfs/dbraw/zinc/16/21/22/1044162122.db2.gz FPHJTABSUUGFKW-AWEZNQCLSA-N -1 3 378.252 3.535 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC001257780574 1044167422 /nfs/dbraw/zinc/16/74/22/1044167422.db2.gz SMKRRCIKETXMIL-CQSZACIVSA-N -1 3 385.316 3.546 20 0 GHADHM C[C@H](CNC(=O)c1cc(Br)c(F)cc1[O-])N(C)Cc1ccccc1 ZINC001293469944 1044198307 /nfs/dbraw/zinc/19/83/07/1044198307.db2.gz CLDFPRCWHFVGAG-GFCCVEGCSA-N -1 3 395.272 3.544 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC001462815916 1070566447 /nfs/dbraw/zinc/56/64/47/1070566447.db2.gz IUNIFFVOXZLWAJ-HOCLYGCPSA-N -1 3 385.501 3.886 20 0 GHADHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001279081512 1044459238 /nfs/dbraw/zinc/45/92/38/1044459238.db2.gz JICQGSKEQHCCQM-KGLIPLIRSA-N -1 3 395.334 3.622 20 0 GHADHM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1(CC)CC ZINC001294130870 1044487006 /nfs/dbraw/zinc/48/70/06/1044487006.db2.gz PJANYCNXERXBRI-HZPDHXFCSA-N -1 3 376.884 3.895 20 0 GHADHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294426982 1044621153 /nfs/dbraw/zinc/62/11/53/1044621153.db2.gz IGQFUXSSVCZMCC-ZJUUUORDSA-N -1 3 388.336 3.905 20 0 GHADHM CC1(C)CCCC[C@@H]1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001294730851 1044777620 /nfs/dbraw/zinc/77/76/20/1044777620.db2.gz PKHBCICQPRLGRP-HNNXBMFYSA-N -1 3 377.282 3.989 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)cc2ccncc21 ZINC001294876373 1044827429 /nfs/dbraw/zinc/82/74/29/1044827429.db2.gz CLQBGZIUMAMMEY-UHFFFAOYSA-N -1 3 375.197 3.772 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2F)c(OC)c1 ZINC001258959113 1044906133 /nfs/dbraw/zinc/90/61/33/1044906133.db2.gz IPHGZOIOKLXRHF-UHFFFAOYSA-N -1 3 379.331 3.663 20 0 GHADHM O=S(=O)([N-]c1ccc(Cl)nc1Br)c1cccc2cnccc21 ZINC001259151600 1044980393 /nfs/dbraw/zinc/98/03/93/1044980393.db2.gz RBRRULUQXFPNKF-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(F)(F)F)c1cccc2cnccc21 ZINC001259160194 1044984039 /nfs/dbraw/zinc/98/40/39/1044984039.db2.gz INTVEHWMRNJZIT-INIZCTEOSA-N -1 3 382.363 3.522 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccc2ccccc2c1 ZINC001259169444 1044989683 /nfs/dbraw/zinc/98/96/83/1044989683.db2.gz RXDIKGXSNBHVKR-FQEVSTJZSA-N -1 3 383.469 3.649 20 0 GHADHM CC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccc(F)cc1 ZINC001295462402 1045026439 /nfs/dbraw/zinc/02/64/39/1045026439.db2.gz LMPQGBACOSKNHG-GOSISDBHSA-N -1 3 397.406 3.961 20 0 GHADHM COc1cccc([O-])c1C(=O)NCCCc1ccc(Br)cc1OC ZINC001295500035 1045035110 /nfs/dbraw/zinc/03/51/10/1045035110.db2.gz QLNNYLMLZJDJKJ-UHFFFAOYSA-N -1 3 394.265 3.535 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC001259312611 1045072650 /nfs/dbraw/zinc/07/26/50/1045072650.db2.gz UXYZXCAKCXJNRM-UHFFFAOYSA-N -1 3 387.379 3.860 20 0 GHADHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2F)cc1 ZINC001259324458 1045077010 /nfs/dbraw/zinc/07/70/10/1045077010.db2.gz DEFCHLVUTHDDQX-UHFFFAOYSA-N -1 3 389.807 3.525 20 0 GHADHM O=S(=O)([N-]c1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC001259344239 1045091443 /nfs/dbraw/zinc/09/14/43/1045091443.db2.gz ADHJJLYZFQEPGQ-UHFFFAOYSA-N -1 3 381.453 3.849 20 0 GHADHM O=S(=O)([N-]c1c(O)cc(C(F)(F)F)cc1Cl)c1ccc2c(c1)CCO2 ZINC001259357376 1045098415 /nfs/dbraw/zinc/09/84/15/1045098415.db2.gz YAKYAHYOPKVWCC-UHFFFAOYSA-N -1 3 393.770 3.800 20 0 GHADHM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC001259368938 1045102809 /nfs/dbraw/zinc/10/28/09/1045102809.db2.gz FYDAIELSOIIEKX-UHFFFAOYSA-N -1 3 382.489 3.663 20 0 GHADHM O=S(=O)([N-]c1ccc(Cc2cccnc2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259370324 1045105760 /nfs/dbraw/zinc/10/57/60/1045105760.db2.gz LAQLXLFEANBFDX-UHFFFAOYSA-N -1 3 390.468 3.659 20 0 GHADHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259396753 1045120800 /nfs/dbraw/zinc/12/08/00/1045120800.db2.gz WZZJGIXPGWUAMR-UHFFFAOYSA-N -1 3 382.850 3.537 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)cc2)cc1 ZINC001259407085 1045129653 /nfs/dbraw/zinc/12/96/53/1045129653.db2.gz LMFNSAWKFGRSQZ-UHFFFAOYSA-N -1 3 391.489 3.832 20 0 GHADHM Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cc1 ZINC001259430761 1045147233 /nfs/dbraw/zinc/14/72/33/1045147233.db2.gz CYNXRTPUGZCQAJ-UHFFFAOYSA-N -1 3 393.415 3.642 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2OCc2ccccc2C)[n-]n1 ZINC001295911771 1045184981 /nfs/dbraw/zinc/18/49/81/1045184981.db2.gz AHUTWPVZWKVMMT-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccccc2OCc2ccccc2C)n[n-]1 ZINC001295911771 1045184989 /nfs/dbraw/zinc/18/49/89/1045184989.db2.gz AHUTWPVZWKVMMT-UHFFFAOYSA-N -1 3 379.416 3.726 20 0 GHADHM COC(=O)c1cccc(Br)c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259619875 1045246841 /nfs/dbraw/zinc/24/68/41/1045246841.db2.gz NKRJWWRNTMQXIV-UHFFFAOYSA-N -1 3 390.299 3.558 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ncccc2C(F)(F)F)C2CC2)c1 ZINC001259641325 1045255231 /nfs/dbraw/zinc/25/52/31/1045255231.db2.gz PLVODIJUPFROIS-HNNXBMFYSA-N -1 3 388.386 3.978 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC001259717386 1045274356 /nfs/dbraw/zinc/27/43/56/1045274356.db2.gz NXHXEXBAQJCERY-UHFFFAOYSA-N -1 3 383.420 3.639 20 0 GHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc(Br)c2ccncc12 ZINC001259738355 1045280015 /nfs/dbraw/zinc/28/00/15/1045280015.db2.gz UMXZNSPSJVJYKI-UHFFFAOYSA-N -1 3 391.290 3.982 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2ccc(I)cc2[O-])n1 ZINC001296283479 1045295536 /nfs/dbraw/zinc/29/55/36/1045295536.db2.gz QLYRGOSSNOKQQU-UHFFFAOYSA-N -1 3 382.201 3.768 20 0 GHADHM CC(C)(C)OC(=O)CCCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001296292895 1045296342 /nfs/dbraw/zinc/29/63/42/1045296342.db2.gz FHNCZLIGHAUNLM-UHFFFAOYSA-N -1 3 392.883 3.813 20 0 GHADHM COc1ccc(CS(=O)(=O)[N-]c2ccccc2NC(=O)OC(C)(C)C)cc1 ZINC001259898823 1045330779 /nfs/dbraw/zinc/33/07/79/1045330779.db2.gz BTNXPDACMZBIAY-UHFFFAOYSA-N -1 3 392.477 3.984 20 0 GHADHM O=c1ccc2cccc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2[nH]1 ZINC001260033964 1045365656 /nfs/dbraw/zinc/36/56/56/1045365656.db2.gz UQCSQFSJJRYVAS-UHFFFAOYSA-N -1 3 382.363 3.901 20 0 GHADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1Br ZINC001260112303 1045385205 /nfs/dbraw/zinc/38/52/05/1045385205.db2.gz FHKSYYCQGLXOIR-UHFFFAOYSA-N -1 3 392.706 3.562 20 0 GHADHM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CC2)c1ccc(Oc2ccccn2)cc1 ZINC001260148372 1045398451 /nfs/dbraw/zinc/39/84/51/1045398451.db2.gz ZUXKJZSEDIHMRK-IBGZPJMESA-N -1 3 382.441 3.654 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1Br ZINC001260297587 1045449831 /nfs/dbraw/zinc/44/98/31/1045449831.db2.gz NWFMSKWNFMFAJP-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1Cl ZINC001297269908 1045489320 /nfs/dbraw/zinc/48/93/20/1045489320.db2.gz BCHFQASBSCZAKJ-UHFFFAOYSA-N -1 3 391.805 3.774 20 0 GHADHM O=S(=O)([N-]Cc1ncccc1C(F)(F)F)c1ccc(-c2ccccn2)s1 ZINC001260536322 1045533168 /nfs/dbraw/zinc/53/31/68/1045533168.db2.gz XBWYZAOOQRUUCC-UHFFFAOYSA-N -1 3 399.419 3.702 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2C)cc1 ZINC001260577411 1045563944 /nfs/dbraw/zinc/56/39/44/1045563944.db2.gz NLSUSQHHUWBFJA-UHFFFAOYSA-N -1 3 395.452 3.900 20 0 GHADHM Cc1cc(=O)oc2cc(N(C)C(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccc12 ZINC001297563087 1045571195 /nfs/dbraw/zinc/57/11/95/1045571195.db2.gz WBEPEBPUISJCTA-UHFFFAOYSA-N -1 3 394.814 3.873 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(Cl)nc(Cl)cc2C(C)=O)cc1C ZINC001260633142 1045582393 /nfs/dbraw/zinc/58/23/93/1045582393.db2.gz LJNUVGHDNFOSDX-UHFFFAOYSA-N -1 3 389.260 3.709 20 0 GHADHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001297613323 1045589066 /nfs/dbraw/zinc/58/90/66/1045589066.db2.gz MQNJRIZVTAMKNY-ACJLOTCBSA-N -1 3 392.908 3.935 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCCC2)cc1F ZINC001260661443 1045596920 /nfs/dbraw/zinc/59/69/20/1045596920.db2.gz FPTBXIMXBAYLRZ-UHFFFAOYSA-N -1 3 378.469 3.621 20 0 GHADHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCCO4)ccc2O1 ZINC001260712297 1045619456 /nfs/dbraw/zinc/61/94/56/1045619456.db2.gz LELKKWBLVAAACL-UHFFFAOYSA-N -1 3 389.473 3.752 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(F)c2)ccc1F ZINC001260760652 1045642666 /nfs/dbraw/zinc/64/26/66/1045642666.db2.gz XRLAUPKWTKANKV-UHFFFAOYSA-N -1 3 384.473 3.627 20 0 GHADHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C)nc1Br ZINC001260765636 1045647699 /nfs/dbraw/zinc/64/76/99/1045647699.db2.gz RPTKTWTTWOKJRO-UHFFFAOYSA-N -1 3 385.283 3.579 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC001260801624 1045672924 /nfs/dbraw/zinc/67/29/24/1045672924.db2.gz ILYXQYOFAOQHMS-UHFFFAOYSA-N -1 3 376.331 3.604 20 0 GHADHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC001261014064 1045836356 /nfs/dbraw/zinc/83/63/56/1045836356.db2.gz PDLNDYMXDQFJQV-UHFFFAOYSA-N -1 3 390.402 3.804 20 0 GHADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001462976335 1070703495 /nfs/dbraw/zinc/70/34/95/1070703495.db2.gz PKKDGPBWKXWJJZ-LBPRGKRZSA-N -1 3 391.386 3.942 20 0 GHADHM O=C(NCc1ncn(-c2ccccc2)n1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001298539189 1045860890 /nfs/dbraw/zinc/86/08/90/1045860890.db2.gz QLZJYIXFJMJPOP-UHFFFAOYSA-N -1 3 398.466 3.688 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C1CCC(C(C)C)CC1 ZINC001261064151 1045882184 /nfs/dbraw/zinc/88/21/84/1045882184.db2.gz RPAXYQIFWIZLEL-UHFFFAOYSA-N -1 3 379.931 3.681 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(C)c1 ZINC001261064371 1045883481 /nfs/dbraw/zinc/88/34/81/1045883481.db2.gz YJYIMIGPNITHIQ-SECBINFHSA-N -1 3 391.873 3.675 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC001261077803 1045894011 /nfs/dbraw/zinc/89/40/11/1045894011.db2.gz KPVZNNDPGMPYNY-UHFFFAOYSA-N -1 3 380.274 3.783 20 0 GHADHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001261252687 1045941096 /nfs/dbraw/zinc/94/10/96/1045941096.db2.gz UXAKULGFIACOIR-MRVPVSSYSA-N -1 3 384.832 3.725 20 0 GHADHM Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001298953856 1045990297 /nfs/dbraw/zinc/99/02/97/1045990297.db2.gz TYRZZUJYVSNSSF-HNNXBMFYSA-N -1 3 391.427 3.645 20 0 GHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001299112395 1046012476 /nfs/dbraw/zinc/01/24/76/1046012476.db2.gz APXSFMDUPGZEKM-JOCHJYFZSA-N -1 3 398.466 3.963 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C(=O)OC(C)(C)C)n[n-]3)c12 ZINC001299814023 1046051859 /nfs/dbraw/zinc/05/18/59/1046051859.db2.gz SBIVPNNINZIJOJ-UHFFFAOYSA-N -1 3 385.424 3.585 20 0 GHADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)c12 ZINC001299814023 1046051871 /nfs/dbraw/zinc/05/18/71/1046051871.db2.gz SBIVPNNINZIJOJ-UHFFFAOYSA-N -1 3 385.424 3.585 20 0 GHADHM O=C(NCCNc1ccc2ccccc2n1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299841771 1046064366 /nfs/dbraw/zinc/06/43/66/1046064366.db2.gz FUHHTEDSAFSNPO-UHFFFAOYSA-N -1 3 392.846 3.572 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1cccc(OC(F)(F)F)c1F ZINC001463044628 1070753523 /nfs/dbraw/zinc/75/35/23/1070753523.db2.gz SQSACMRGEYBLHP-UHFFFAOYSA-N -1 3 395.349 3.775 20 0 GHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC001463101453 1070794131 /nfs/dbraw/zinc/79/41/31/1070794131.db2.gz YYLCJFNOHCRLPU-ZJUUUORDSA-N -1 3 387.420 3.677 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001301894999 1046749089 /nfs/dbraw/zinc/74/90/89/1046749089.db2.gz NAMPNHDUERHKKG-UONOGXRCSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001301894999 1046749102 /nfs/dbraw/zinc/74/91/02/1046749102.db2.gz NAMPNHDUERHKKG-UONOGXRCSA-N -1 3 398.264 3.680 20 0 GHADHM COc1cc(CC[N-]S(=O)(=O)c2csnc2-c2ccccc2)ccc1C ZINC001463138843 1070841856 /nfs/dbraw/zinc/84/18/56/1070841856.db2.gz LSOUHRZVKOFIEJ-UHFFFAOYSA-N -1 3 388.514 3.648 20 0 GHADHM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)n1 ZINC001302721528 1047063652 /nfs/dbraw/zinc/06/36/52/1047063652.db2.gz NUHISQGTSXXROQ-LLVKDONJSA-N -1 3 397.884 3.536 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC001263822816 1047155356 /nfs/dbraw/zinc/15/53/56/1047155356.db2.gz VYQNMVMESRJAIM-RLLQIKCJSA-N -1 3 376.456 3.925 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(C)(C)C ZINC001463167137 1070870838 /nfs/dbraw/zinc/87/08/38/1070870838.db2.gz LKPLOAQVFDRQHS-LBPRGKRZSA-N -1 3 398.750 3.750 20 0 GHADHM CC(=CC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccccc1OC(F)F ZINC001303256531 1047326450 /nfs/dbraw/zinc/32/64/50/1047326450.db2.gz JMKZKWFGTIHGOT-FLIBITNWSA-N -1 3 387.386 3.607 20 0 GHADHM C[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000387837736 1047332884 /nfs/dbraw/zinc/33/28/84/1047332884.db2.gz CMGRUYKYAGHAHD-SNVBAGLBSA-N -1 3 390.249 3.637 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(C(F)(F)F)nc1 ZINC001303310069 1047354098 /nfs/dbraw/zinc/35/40/98/1047354098.db2.gz LOEQRVKOKWOARG-MRVPVSSYSA-N -1 3 397.303 3.711 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC001303315036 1047357637 /nfs/dbraw/zinc/35/76/37/1047357637.db2.gz JMZPZKDSORBSDR-AWEZNQCLSA-N -1 3 387.741 3.709 20 0 GHADHM C[C@H](NC(=O)c1cccnc1Nc1ccccc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001304132386 1047595757 /nfs/dbraw/zinc/59/57/57/1047595757.db2.gz QXGFEZLUYLLHSU-VIFPVBQESA-N -1 3 394.332 3.592 20 0 GHADHM Cc1cc(Br)cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1C ZINC001304133635 1047595944 /nfs/dbraw/zinc/59/59/44/1047595944.db2.gz YPRMBCVQAFTYNW-QMMMGPOBSA-N -1 3 391.191 3.694 20 0 GHADHM C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)c1nc(C(F)(F)F)n[n-]1 ZINC001304132313 1047595973 /nfs/dbraw/zinc/59/59/73/1047595973.db2.gz QLNBKTVIKBOXST-VHSXEESVSA-N -1 3 391.397 3.921 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc(F)c(F)c1 ZINC001304566442 1047715095 /nfs/dbraw/zinc/71/50/95/1047715095.db2.gz VDXWTFJKHIECEI-LBPRGKRZSA-N -1 3 385.370 3.787 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc(F)c(F)c1 ZINC001304566442 1047715097 /nfs/dbraw/zinc/71/50/97/1047715097.db2.gz VDXWTFJKHIECEI-LBPRGKRZSA-N -1 3 385.370 3.787 20 0 GHADHM Cc1c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)sc2nccc(C)c12 ZINC001304820430 1047782245 /nfs/dbraw/zinc/78/22/45/1047782245.db2.gz RNLPULJGNGQEPT-HDJSIYSDSA-N -1 3 382.489 3.865 20 0 GHADHM CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001306045118 1048374743 /nfs/dbraw/zinc/37/47/43/1048374743.db2.gz MEQOBBPTDRBEHO-MDOVXXIYSA-N -1 3 381.428 3.741 20 0 GHADHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3)no2)c1Br ZINC001306476448 1048692224 /nfs/dbraw/zinc/69/22/24/1048692224.db2.gz SKRFKGGNSPPNJA-UHFFFAOYSA-N -1 3 376.214 3.598 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3nccn3Cc3ccccc3Cl)c[n-]c12 ZINC001306577078 1048749723 /nfs/dbraw/zinc/74/97/23/1048749723.db2.gz LEWQSUOPAAORTM-UHFFFAOYSA-N -1 3 392.846 3.987 20 0 GHADHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC001306835770 1048920973 /nfs/dbraw/zinc/92/09/73/1048920973.db2.gz JGXBUJOKGIWZDG-LBPRGKRZSA-N -1 3 387.705 3.555 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001307547193 1049389943 /nfs/dbraw/zinc/38/99/43/1049389943.db2.gz RFFVJVAFDWDROG-UHFFFAOYSA-N -1 3 375.371 3.809 20 0 GHADHM CCOC(=O)c1noc([N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)c1C ZINC001289255814 1049392203 /nfs/dbraw/zinc/39/22/03/1049392203.db2.gz NASXAMCAOZWLRS-UHFFFAOYSA-N -1 3 388.754 3.552 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(Cl)c(F)c3)nc21 ZINC001289644509 1049574261 /nfs/dbraw/zinc/57/42/61/1049574261.db2.gz RRZUOTVVEKEMKG-UHFFFAOYSA-N -1 3 391.786 3.550 20 0 GHADHM O=C(c1ccccc1Cl)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC001289653474 1049576769 /nfs/dbraw/zinc/57/67/69/1049576769.db2.gz RBERLMOTBCFYMI-UHFFFAOYSA-N -1 3 394.858 3.917 20 0 GHADHM COc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1OC ZINC001290074428 1049723424 /nfs/dbraw/zinc/72/34/24/1049723424.db2.gz WGBGUSVTLCKXMX-UHFFFAOYSA-N -1 3 377.440 3.930 20 0 GHADHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001290102119 1049731734 /nfs/dbraw/zinc/73/17/34/1049731734.db2.gz YWRQXACZVHZKGH-UHFFFAOYSA-N -1 3 396.315 3.798 20 0 GHADHM [O-]c1ccc(CN2CCN(C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1Cl ZINC001308011884 1049760289 /nfs/dbraw/zinc/76/02/89/1049760289.db2.gz KNBKRYLPGWGGGD-WMLDXEAASA-N -1 3 392.849 3.663 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cc2)CC1 ZINC001290220722 1049765089 /nfs/dbraw/zinc/76/50/89/1049765089.db2.gz BMEWUPKKOXRWKX-UHFFFAOYSA-N -1 3 393.409 3.805 20 0 GHADHM CCCNC(=O)c1ccccc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001290515039 1049865674 /nfs/dbraw/zinc/86/56/74/1049865674.db2.gz XLJFSLODIFSPMX-UHFFFAOYSA-N -1 3 383.835 3.574 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1nscc1Br ZINC001290874704 1049942150 /nfs/dbraw/zinc/94/21/50/1049942150.db2.gz ARKCVSQYEBGNFI-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM Nc1c(Br)cccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001290882572 1049943351 /nfs/dbraw/zinc/94/33/51/1049943351.db2.gz BNQUDUIFAJGCRK-UHFFFAOYSA-N -1 3 386.043 3.752 20 0 GHADHM CCOc1cc(F)cc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001308905875 1050153364 /nfs/dbraw/zinc/15/33/64/1050153364.db2.gz MSSSODAUJCJGAM-UHFFFAOYSA-N -1 3 378.875 3.901 20 0 GHADHM O=C([O-])[C@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1c1ccc(F)cc1F ZINC001327369250 1050168783 /nfs/dbraw/zinc/16/87/83/1050168783.db2.gz UWTXMLDKSUJQGE-RVKKMQEKSA-N -1 3 399.796 3.591 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cn2cc(-c3ccccc3)oc2=S)C1)C(F)(F)F ZINC001327596314 1050226342 /nfs/dbraw/zinc/22/63/42/1050226342.db2.gz PZDWMARNTUPIRQ-ZDUSSCGKSA-N -1 3 399.438 3.826 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)c(F)cc1Br ZINC001309005744 1050265673 /nfs/dbraw/zinc/26/56/73/1050265673.db2.gz QGIOCHSGINAJLA-DRCTWCGVSA-N -1 3 378.307 4.000 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC001309120925 1050377024 /nfs/dbraw/zinc/37/70/24/1050377024.db2.gz GXGWTVJLHKFNFP-XOKHGSTOSA-N -1 3 399.528 3.907 20 0 GHADHM CC(C)CCOc1ccc(-c2nnc([C@@H]([N-]S(C)(=O)=O)C(C)(C)C)o2)cc1 ZINC001328210997 1050444142 /nfs/dbraw/zinc/44/41/42/1050444142.db2.gz SKINXUPZQWBMES-MRXNPFEDSA-N -1 3 395.525 3.798 20 0 GHADHM CSC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001309238405 1050505968 /nfs/dbraw/zinc/50/59/68/1050505968.db2.gz DJNZESUAGWGLTA-UHFFFAOYSA-N -1 3 386.764 3.831 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1Cl ZINC001309288362 1050559112 /nfs/dbraw/zinc/55/91/12/1050559112.db2.gz OFJCURWBNSKZGD-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM CC(C)C[C@H]([N-]S(=O)(=O)CC[C@H]1CCc2ccccc21)C(=O)OC(C)(C)C ZINC001309310520 1050580358 /nfs/dbraw/zinc/58/03/58/1050580358.db2.gz XONLQFKXXGJXRR-MJGOQNOKSA-N -1 3 395.565 3.782 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(-c2ccccc2)s1 ZINC001309312433 1050582977 /nfs/dbraw/zinc/58/29/77/1050582977.db2.gz PKZYZMMGJDHKDQ-INIZCTEOSA-N -1 3 392.546 3.889 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001309408997 1050690236 /nfs/dbraw/zinc/69/02/36/1050690236.db2.gz UPCSXUWVFVZHLH-ZFWWWQNUSA-N -1 3 385.501 3.886 20 0 GHADHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2c(C)ccc3ccccc32)no1 ZINC001309417216 1050701842 /nfs/dbraw/zinc/70/18/42/1050701842.db2.gz DIXRRYHUIBPFIM-UHFFFAOYSA-N -1 3 393.468 3.985 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001309472535 1050746306 /nfs/dbraw/zinc/74/63/06/1050746306.db2.gz FOITWHOMGZKFGU-NVXWUHKLSA-N -1 3 391.464 3.617 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccc(Oc2cccnc2)cc1 ZINC001309475682 1050749867 /nfs/dbraw/zinc/74/98/67/1050749867.db2.gz FEOVWZRAVSBSLR-GFCCVEGCSA-N -1 3 391.399 3.587 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C1CCCC1 ZINC001309496596 1050764884 /nfs/dbraw/zinc/76/48/84/1050764884.db2.gz ZZWLTERLNLBQKA-CYBMUJFWSA-N -1 3 394.306 3.844 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1c1ccccc1)c1cccnc1C(F)(F)F ZINC001309529421 1050786597 /nfs/dbraw/zinc/78/65/97/1050786597.db2.gz SLROGMBUWSFZLE-LSDHHAIUSA-N -1 3 384.423 3.963 20 0 GHADHM CC1(C)CCC(C)(C[N-]S(=O)(=O)c2cccc(Br)n2)CC1 ZINC001309591009 1050841297 /nfs/dbraw/zinc/84/12/97/1050841297.db2.gz ZDRGPYIIBAVHHO-UHFFFAOYSA-N -1 3 375.332 3.729 20 0 GHADHM COC(=O)c1sc(S(=O)(=O)[N-]C2(c3ccccc3C)CC2)c(C)c1Cl ZINC001309617264 1050867112 /nfs/dbraw/zinc/86/71/12/1050867112.db2.gz WMJHWFXOYGXCOL-UHFFFAOYSA-N -1 3 399.921 3.773 20 0 GHADHM O=S(=O)([N-]C[C@H]1CSc2ccccc2O1)c1cc(Cl)ccc1Cl ZINC001309624585 1050874254 /nfs/dbraw/zinc/87/42/54/1050874254.db2.gz UUSZFSRUEDBWAR-NSHDSACASA-N -1 3 390.313 3.825 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(c3ccccc3C)CCC2)c1 ZINC001309643404 1050892005 /nfs/dbraw/zinc/89/20/05/1050892005.db2.gz UBAYHNKVRKPBQF-UHFFFAOYSA-N -1 3 391.464 3.587 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(F)cc1Cl ZINC001475331014 1050910655 /nfs/dbraw/zinc/91/06/55/1050910655.db2.gz VATZTLFEWJUAPY-ZETCQYMHSA-N -1 3 382.638 3.874 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCCC(C)(C)C1 ZINC001309691954 1050923066 /nfs/dbraw/zinc/92/30/66/1050923066.db2.gz AXFBGRYVDWPUFE-OAHLLOKOSA-N -1 3 379.931 3.500 20 0 GHADHM O=S(=O)(Cc1cc(-c2ccccc2)no1)[N-][C@@H]1c2ccccc2CC[C@@H]1F ZINC001309796584 1050977778 /nfs/dbraw/zinc/97/77/78/1050977778.db2.gz LFRSWDHMKZJFGX-AZUAARDMSA-N -1 3 386.448 3.787 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cc(Cl)ccc1Cl ZINC001309839490 1050998214 /nfs/dbraw/zinc/99/82/14/1050998214.db2.gz VQKHUDXXYDMDEQ-BXKDBHETSA-N -1 3 392.226 3.772 20 0 GHADHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1ccccc1 ZINC001309858256 1051008444 /nfs/dbraw/zinc/00/84/44/1051008444.db2.gz WHANHYPCPSVWAO-IBGZPJMESA-N -1 3 387.501 3.645 20 0 GHADHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(C)c2)C(=O)OC(C)(C)C)c1 ZINC001309912538 1051040298 /nfs/dbraw/zinc/04/02/98/1051040298.db2.gz PSJBXZCGLWHJFQ-LJQANCHMSA-N -1 3 389.517 3.973 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)c(-c2ccccc2)s1 ZINC001309931154 1051052655 /nfs/dbraw/zinc/05/26/55/1051052655.db2.gz HAWYZCSQOCUIEE-QGZVFWFLSA-N -1 3 385.514 3.943 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC001310372051 1051314176 /nfs/dbraw/zinc/31/41/76/1051314176.db2.gz OZVZVFVDXSSASC-UHFFFAOYSA-N -1 3 376.342 3.539 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC001310372051 1051314183 /nfs/dbraw/zinc/31/41/83/1051314183.db2.gz OZVZVFVDXSSASC-UHFFFAOYSA-N -1 3 376.342 3.539 20 0 GHADHM COc1cc(Cl)c(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1C ZINC001310843604 1051643489 /nfs/dbraw/zinc/64/34/89/1051643489.db2.gz GWIJIJQQUYHFIN-SSDOTTSWSA-N -1 3 377.754 3.677 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC001334381576 1051936701 /nfs/dbraw/zinc/93/67/01/1051936701.db2.gz ADAHMRRZHLXJLO-CTNGQTDRSA-N -1 3 389.455 3.805 20 0 GHADHM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001336542240 1052286062 /nfs/dbraw/zinc/28/60/62/1052286062.db2.gz AZCUNDZPDGMQAG-NRFANRHFSA-N -1 3 396.516 3.871 20 0 GHADHM C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC001336680934 1052304101 /nfs/dbraw/zinc/30/41/01/1052304101.db2.gz DYARDODIAAIIND-ATLLOTDBSA-N -1 3 392.546 3.589 20 0 GHADHM CC(C)C[C@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001312346866 1052705698 /nfs/dbraw/zinc/70/56/98/1052705698.db2.gz SZPVKHNOLYLQCK-UONOGXRCSA-N -1 3 385.430 3.803 20 0 GHADHM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001342668572 1053289801 /nfs/dbraw/zinc/28/98/01/1053289801.db2.gz WFNWLSBXGSUKNC-AWEZNQCLSA-N -1 3 399.397 3.706 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2CC(C)C)cc(=O)[n-]1 ZINC001343024395 1053504404 /nfs/dbraw/zinc/50/44/04/1053504404.db2.gz AKRVNUXWNLXSBD-INIZCTEOSA-N -1 3 396.470 3.538 20 0 GHADHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2cnc(-c3ccccc3)s2)[n-]1 ZINC001319732583 1055431958 /nfs/dbraw/zinc/43/19/58/1055431958.db2.gz GNTNZYIINNVQAD-SANMLTNESA-N -1 3 399.419 3.773 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001319879749 1055518978 /nfs/dbraw/zinc/51/89/78/1055518978.db2.gz PQAGHSJKYVZFFO-UHFFFAOYSA-N -1 3 391.296 3.596 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCc4ccccc4O3)c2)n1 ZINC001354077368 1056322506 /nfs/dbraw/zinc/32/25/06/1056322506.db2.gz ACMVLPIICNGFPJ-LJQANCHMSA-N -1 3 375.428 3.744 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC000848140067 1056745643 /nfs/dbraw/zinc/74/56/43/1056745643.db2.gz JZAWYQXUHFRPLN-SNVBAGLBSA-N -1 3 390.814 3.876 20 0 GHADHM CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2c([O-])cccc2Cl)ccn1 ZINC000848140399 1056747389 /nfs/dbraw/zinc/74/73/89/1056747389.db2.gz QCZIJDNMLKLQFH-UHFFFAOYSA-N -1 3 377.828 3.718 20 0 GHADHM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1c([O-])cccc1Cl ZINC000848141106 1056749908 /nfs/dbraw/zinc/74/99/08/1056749908.db2.gz YBLOLUJROTWJAD-NSHDSACASA-N -1 3 386.901 3.727 20 0 GHADHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC001474886419 1056764538 /nfs/dbraw/zinc/76/45/38/1056764538.db2.gz KYLSXVSKVVDDTO-HNNXBMFYSA-N -1 3 388.514 3.864 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(Cl)cc2)ccc1F ZINC001354850334 1056962574 /nfs/dbraw/zinc/96/25/74/1056962574.db2.gz WBJNZEMZXHVOBQ-UHFFFAOYSA-N -1 3 385.844 3.775 20 0 GHADHM CC(C)(C)OC(=O)NC1CCC(OCC(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001324677439 1057200516 /nfs/dbraw/zinc/20/05/16/1057200516.db2.gz WIXAGLLXJLMHDT-UHFFFAOYSA-N -1 3 398.887 3.837 20 0 GHADHM O=S(=O)([N-][C@H](C1CCCCC1)C(F)(F)F)c1cccc2c1OCCC2 ZINC001475183889 1057260415 /nfs/dbraw/zinc/26/04/15/1057260415.db2.gz FPTOTDRESZDASR-MRXNPFEDSA-N -1 3 377.428 3.801 20 0 GHADHM CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001355856850 1057295408 /nfs/dbraw/zinc/29/54/08/1057295408.db2.gz AGXZVWIVSGCZBQ-INIZCTEOSA-N -1 3 398.544 3.943 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(OC(F)(F)F)c1F ZINC001475247212 1057516463 /nfs/dbraw/zinc/51/64/63/1057516463.db2.gz OMSWNLTWOUTZFX-NWDGAFQWSA-N -1 3 393.333 3.698 20 0 GHADHM C[C@H]1O[C@@H](C)Cc2c1sc([N-]C(=O)c1cnsn1)c2C(=O)OC(C)(C)C ZINC001327088117 1057595653 /nfs/dbraw/zinc/59/56/53/1057595653.db2.gz NTRDCCFQCVADBB-DTWKUNHWSA-N -1 3 395.506 3.829 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)nc[n-]c2=O)sc1Cc1cccc(F)c1 ZINC001337628721 1058192759 /nfs/dbraw/zinc/19/27/59/1058192759.db2.gz CIJQAYMLJJBPRG-UHFFFAOYSA-N -1 3 386.452 3.557 20 0 GHADHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1cccc(Cl)c1 ZINC001439909152 1058344123 /nfs/dbraw/zinc/34/41/23/1058344123.db2.gz XTDSCGARHQRFHU-HNNXBMFYSA-N -1 3 385.769 3.992 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)s1 ZINC001545935441 1058605023 /nfs/dbraw/zinc/60/50/23/1058605023.db2.gz IQLFCRLSYZIQNO-VNQPRFMTSA-N -1 3 385.489 3.948 20 0 GHADHM C[C@@H](CCNC(=O)CCCc1ccc([O-])c(F)c1)N(C)C(=O)OC(C)(C)C ZINC001338758373 1058766952 /nfs/dbraw/zinc/76/69/52/1058766952.db2.gz VHBXFYUZTAQCDU-AWEZNQCLSA-N -1 3 382.476 3.616 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ncccc2C)s1 ZINC001475781397 1058778228 /nfs/dbraw/zinc/77/82/28/1058778228.db2.gz SZDDMXLINIMSMS-JTQLQIEISA-N -1 3 375.313 3.562 20 0 GHADHM Cc1cccnc1[C@@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001475781382 1058793927 /nfs/dbraw/zinc/79/39/27/1058793927.db2.gz SEXUFBWRKICBPQ-LLVKDONJSA-N -1 3 395.278 3.938 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c([O-])c1 ZINC001441670470 1058837079 /nfs/dbraw/zinc/83/70/79/1058837079.db2.gz HKEMHTGIDIQSMC-UHFFFAOYSA-N -1 3 387.483 3.842 20 0 GHADHM O=C(NCc1cc(Br)cs1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001441675446 1058838248 /nfs/dbraw/zinc/83/82/48/1058838248.db2.gz VSIMGLYBDLWXRZ-UHFFFAOYSA-N -1 3 399.216 3.560 20 0 GHADHM COc1cc2c(cc1OC)CCN(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001442190175 1058932023 /nfs/dbraw/zinc/93/20/23/1058932023.db2.gz XXZVAYIYQKGULS-UHFFFAOYSA-N -1 3 383.469 3.865 20 0 GHADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3csc(-c4ncc[nH]4)n3)n[nH]2)cc1 ZINC001442713668 1058996149 /nfs/dbraw/zinc/99/61/49/1058996149.db2.gz BRUMETFOOPADPS-UHFFFAOYSA-N -1 3 393.476 3.868 20 0 GHADHM CC[C@@H]1CN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)CC[C@H]1c1ccccc1 ZINC001339362735 1059142843 /nfs/dbraw/zinc/14/28/43/1059142843.db2.gz FJICFRUDKBDURK-SJLPKXTDSA-N -1 3 392.507 3.789 20 0 GHADHM CC(C)(C)c1csc(CCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)n1 ZINC001443714210 1059179927 /nfs/dbraw/zinc/17/99/27/1059179927.db2.gz BXTCUWYPPFSMMV-UHFFFAOYSA-N -1 3 389.908 3.908 20 0 GHADHM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001444274992 1059298236 /nfs/dbraw/zinc/29/82/36/1059298236.db2.gz KJFODPOUIRQUIY-UGSOOPFHSA-N -1 3 397.272 3.652 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444632112 1059354565 /nfs/dbraw/zinc/35/45/65/1059354565.db2.gz YLIAVTCWPIETHM-DOMZBBRYSA-N -1 3 390.505 3.982 20 0 GHADHM CCC(CC)(CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O)SC ZINC001444940740 1059417343 /nfs/dbraw/zinc/41/73/43/1059417343.db2.gz UIUZWBCHZKLGNB-UHFFFAOYSA-N -1 3 397.338 3.942 20 0 GHADHM CC(C)(Cc1cccc(Br)c1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001444988028 1059431286 /nfs/dbraw/zinc/43/12/86/1059431286.db2.gz JWWTXHGKXQYLFW-UHFFFAOYSA-N -1 3 392.249 3.635 20 0 GHADHM COc1nnc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)[n-]1 ZINC001446188790 1059723497 /nfs/dbraw/zinc/72/34/97/1059723497.db2.gz CEQGMCBMOYDEAU-UHFFFAOYSA-N -1 3 385.493 3.945 20 0 GHADHM COc1nc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)n[n-]1 ZINC001446188790 1059723517 /nfs/dbraw/zinc/72/35/17/1059723517.db2.gz CEQGMCBMOYDEAU-UHFFFAOYSA-N -1 3 385.493 3.945 20 0 GHADHM COc1n[n-]c(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)n1 ZINC001446188790 1059723534 /nfs/dbraw/zinc/72/35/34/1059723534.db2.gz CEQGMCBMOYDEAU-UHFFFAOYSA-N -1 3 385.493 3.945 20 0 GHADHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001446827256 1059874231 /nfs/dbraw/zinc/87/42/31/1059874231.db2.gz RCQBINJBBVMXSK-WYRIXSBYSA-N -1 3 388.826 3.827 20 0 GHADHM Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000524 1060037166 /nfs/dbraw/zinc/03/71/66/1060037166.db2.gz RHOYJJJGCPJWEA-UHFFFAOYSA-N -1 3 394.859 3.697 20 0 GHADHM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001447965443 1060075476 /nfs/dbraw/zinc/07/54/76/1060075476.db2.gz UGCXLUWPVBWCLS-HUUCEWRRSA-N -1 3 382.410 3.948 20 0 GHADHM Cn1c(=O)[nH]c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[O-])cc21 ZINC001448181825 1060128375 /nfs/dbraw/zinc/12/83/75/1060128375.db2.gz LCRMNMUAQCYFSW-UHFFFAOYSA-N -1 3 389.411 3.816 20 0 GHADHM CC(C)c1nn(C)cc1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001448644605 1060236362 /nfs/dbraw/zinc/23/63/62/1060236362.db2.gz GLGCJMSHIFHWEG-UHFFFAOYSA-N -1 3 394.353 3.536 20 0 GHADHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@H]1CCC(C)(C)C1 ZINC001448903094 1060293753 /nfs/dbraw/zinc/29/37/53/1060293753.db2.gz LBXCCXVEDMZTRO-LBPRGKRZSA-N -1 3 377.282 3.941 20 0 GHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001450753339 1060677652 /nfs/dbraw/zinc/67/76/52/1060677652.db2.gz MBHHCWJHMXREKP-UHFFFAOYSA-N -1 3 391.305 3.578 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3cccc(N[C@H](C)C(C)C)c3C)c2c(=O)n1C ZINC001452042320 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385.164 3.551 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC001455284268 1062089242 /nfs/dbraw/zinc/08/92/42/1062089242.db2.gz GWYBVSUBDVBDHT-MRXNPFEDSA-N -1 3 376.497 3.816 20 0 GHADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001347360307 1062322938 /nfs/dbraw/zinc/32/29/38/1062322938.db2.gz ATCCTIVJMDZULV-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM CC(C)C[C@H]1CN(C)CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001456214597 1062557779 /nfs/dbraw/zinc/55/77/79/1062557779.db2.gz KZMVBNWIGSKAKZ-INIZCTEOSA-N -1 3 391.512 3.542 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456378807 1062647005 /nfs/dbraw/zinc/64/70/05/1062647005.db2.gz CLRFZCKAKNIIGI-BDAKNGLRSA-N -1 3 394.319 3.898 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456389161 1062654659 /nfs/dbraw/zinc/65/46/59/1062654659.db2.gz VMYNZDTWWDIZHP-VIFPVBQESA-N -1 3 381.383 3.746 20 0 GHADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC001435523728 1062706953 /nfs/dbraw/zinc/70/69/53/1062706953.db2.gz AHUPXCNMTMPJHZ-OAHLLOKOSA-N -1 3 380.778 3.640 20 0 GHADHM CCOc1ccc(CCNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001456788159 1062857414 /nfs/dbraw/zinc/85/74/14/1062857414.db2.gz OCCBOXUPEBTBOE-UHFFFAOYSA-N -1 3 391.493 3.861 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)CC(=O)c3ccccc3F)nc21 ZINC001456989922 1062940001 /nfs/dbraw/zinc/94/00/01/1062940001.db2.gz IXWUTLCEEDSGMP-GFCCVEGCSA-N -1 3 397.406 3.726 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]34CC[C@H](CC3=O)C4(C)C)c2)n1 ZINC001348528368 1063173501 /nfs/dbraw/zinc/17/35/01/1063173501.db2.gz IOGWBLYPSHOABJ-PEBXRYMYSA-N -1 3 379.460 3.746 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)N3CCc4ccc(Br)cc43)c(=O)c2c1 ZINC001457623254 1063284306 /nfs/dbraw/zinc/28/43/06/1063284306.db2.gz NBSQYHVFRBPWSE-UHFFFAOYSA-N -1 3 383.245 3.802 20 0 GHADHM COC(=O)c1sc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)nc1C(C)(C)C ZINC001457690366 1063315498 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20 0 GHADHM CCCCc1nc(NC(=O)[C@H](SC)c2ccccc2)c(C(=O)OCC)[n-]1 ZINC001458950625 1063966691 /nfs/dbraw/zinc/96/66/91/1063966691.db2.gz BJWKYQJGXGTVGT-MRXNPFEDSA-N -1 3 375.494 3.972 20 0 GHADHM CCCCc1nc(NC(=O)CSCc2cccs2)c(C(=O)OCC)[n-]1 ZINC001458954280 1063967575 /nfs/dbraw/zinc/96/75/75/1063967575.db2.gz KVALQOVSPIEYSZ-UHFFFAOYSA-N -1 3 381.523 3.862 20 0 GHADHM CCCCc1nc(NC(=O)c2cnn(C(C)C)c2Cl)c(C(=O)OCC)[n-]1 ZINC001458955790 1063968075 /nfs/dbraw/zinc/96/80/75/1063968075.db2.gz REYJNZXRZTUVQR-UHFFFAOYSA-N -1 3 381.864 3.612 20 0 GHADHM CCc1ccsc1C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438034424 1063970354 /nfs/dbraw/zinc/97/03/54/1063970354.db2.gz YXQDZQHQDPAIOG-UHFFFAOYSA-N -1 3 395.893 3.772 20 0 GHADHM CCc1ccsc1C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438034424 1063970356 /nfs/dbraw/zinc/97/03/56/1063970356.db2.gz YXQDZQHQDPAIOG-UHFFFAOYSA-N -1 3 395.893 3.772 20 0 GHADHM CCCc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001438185355 1064000641 /nfs/dbraw/zinc/00/06/41/1064000641.db2.gz KHRSQYUGWIHTPR-UHFFFAOYSA-N -1 3 379.453 3.684 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001459116838 1064001595 /nfs/dbraw/zinc/00/15/95/1064001595.db2.gz JUWBZUNWARTNFE-UHFFFAOYSA-N -1 3 398.459 3.817 20 0 GHADHM Cc1cccc(COc2ccc(NC(=O)NCCCc3c[n-][nH]c3=O)c(C)c2)c1 ZINC001351174884 1064293029 /nfs/dbraw/zinc/29/30/29/1064293029.db2.gz BTQCEGQFRRHTII-SFHVURJKSA-N -1 3 394.475 3.516 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)c2ccc(C)c(F)c2)c(F)c1 ZINC001463419547 1064332954 /nfs/dbraw/zinc/33/29/54/1064332954.db2.gz SVDPXEIRIVRLIX-QGZVFWFLSA-N -1 3 397.443 3.880 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@H]2C)s1 ZINC001463472541 1064384719 /nfs/dbraw/zinc/38/47/19/1064384719.db2.gz NGBZNWXNBAMSOD-SJKOYZFVSA-N -1 3 379.503 3.527 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1csnc1-c1ccccc1 ZINC001463518635 1064429595 /nfs/dbraw/zinc/42/95/95/1064429595.db2.gz JTHIYVBOYVNSRL-INIZCTEOSA-N -1 3 392.546 3.970 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001463633308 1064514937 /nfs/dbraw/zinc/51/49/37/1064514937.db2.gz OQWZICLHGXOHDH-MNOVXSKESA-N -1 3 376.787 3.588 20 0 GHADHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001463739385 1064580273 /nfs/dbraw/zinc/58/02/73/1064580273.db2.gz QYNUVORJLDHTEM-GDBMZVCRSA-N -1 3 380.535 3.540 20 0 GHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1ncc(Br)cc1F ZINC001351741131 1064583441 /nfs/dbraw/zinc/58/34/41/1064583441.db2.gz CTGJBSGGZRHFQS-OAHLLOKOSA-N -1 3 381.245 3.549 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2C)c(F)c1F ZINC001463981968 1064752361 /nfs/dbraw/zinc/75/23/61/1064752361.db2.gz ZISWSEQTPJBOQU-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(F)cc1F)c1csnc1-c1ccccc1 ZINC001464184867 1064896085 /nfs/dbraw/zinc/89/60/85/1064896085.db2.gz AHALVVATIJICLY-GOEBONIOSA-N -1 3 392.452 3.923 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C(C)(C)C)oc2C)cc1OC ZINC001464338028 1064961408 /nfs/dbraw/zinc/96/14/08/1064961408.db2.gz UZILFGFAOPQGMW-UHFFFAOYSA-N -1 3 394.493 3.908 20 0 GHADHM O=S(=O)([N-]C1([C@H]2CCCCO2)CCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001464339367 1064962008 /nfs/dbraw/zinc/96/20/08/1064962008.db2.gz FZZVTURCHLJCJU-GFCCVEGCSA-N -1 3 398.834 3.524 20 0 GHADHM CN(C)c1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1Cl ZINC001464347494 1064964812 /nfs/dbraw/zinc/96/48/12/1064964812.db2.gz JRSOLEGIIQVWPH-UHFFFAOYSA-N -1 3 377.778 3.778 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C[C@H](C)c2ccc(Br)cc2)s1 ZINC001464682146 1065154608 /nfs/dbraw/zinc/15/46/08/1065154608.db2.gz BXCWLHUJXPXCAR-JTQLQIEISA-N -1 3 389.340 3.550 20 0 GHADHM O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC001464687199 1065156762 /nfs/dbraw/zinc/15/67/62/1065156762.db2.gz LIYGBSMPNSHIHP-UHFFFAOYSA-N -1 3 385.439 3.598 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)C3CCC(c4ccccc4)CC3)C2)n1 ZINC001352806646 1065325751 /nfs/dbraw/zinc/32/57/51/1065325751.db2.gz KGKLPSXKXURDEI-SOAGJPPSSA-N -1 3 394.519 3.550 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)c1 ZINC001465421371 1065600375 /nfs/dbraw/zinc/60/03/75/1065600375.db2.gz QXBYVSICUGCNSU-NSHDSACASA-N -1 3 399.394 3.873 20 0 GHADHM O=C([N-]c1ccc2cccc(Br)c2n1)c1nnc(-c2ccco2)o1 ZINC001466078678 1065975909 /nfs/dbraw/zinc/97/59/09/1065975909.db2.gz WWXHIXAPGVUZFG-UHFFFAOYSA-N -1 3 385.177 3.893 20 0 GHADHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466351299 1066107240 /nfs/dbraw/zinc/10/72/40/1066107240.db2.gz DLRGJZCMSFEGME-VGOFRKELSA-N -1 3 375.468 3.877 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)[n-]n1 ZINC001466589594 1066201553 /nfs/dbraw/zinc/20/15/53/1066201553.db2.gz BRJMOFRNSIYUAV-UHFFFAOYSA-N -1 3 382.247 3.954 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)n[n-]1 ZINC001466589594 1066201562 /nfs/dbraw/zinc/20/15/62/1066201562.db2.gz BRJMOFRNSIYUAV-UHFFFAOYSA-N -1 3 382.247 3.954 20 0 GHADHM CC(C)(C)[C@H](C(=O)[O-])c1ccc(NC(=S)NCCN2CCCCC2)cc1 ZINC001200432023 1066201815 /nfs/dbraw/zinc/20/18/15/1066201815.db2.gz BACWGGUBFLAIHP-KRWDZBQOSA-N -1 3 377.554 3.673 20 0 GHADHM COC(=O)Nc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC001466633523 1066224995 /nfs/dbraw/zinc/22/49/95/1066224995.db2.gz ZPOIWEVALUFWHT-UHFFFAOYSA-N -1 3 383.173 3.724 20 0 GHADHM COCCc1ccccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001466907789 1066382618 /nfs/dbraw/zinc/38/26/18/1066382618.db2.gz GROZEMAYJFRLTR-UHFFFAOYSA-N -1 3 378.428 3.813 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c([O-])c1 ZINC001467340485 1067237905 /nfs/dbraw/zinc/23/79/05/1067237905.db2.gz PASIYTKOBPMVRJ-FQEVSTJZSA-N -1 3 380.488 3.748 20 0 GHADHM Cc1noc(C)c1[N-]C(=O)c1c(Cl)ccc(I)c1F ZINC001357815534 1067288884 /nfs/dbraw/zinc/28/88/84/1067288884.db2.gz BCRZRCAUVTVODY-UHFFFAOYSA-N -1 3 394.571 3.941 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@H]2C[C@@H]2CNc3ccccc32)c1 ZINC001358342419 1067489457 /nfs/dbraw/zinc/48/94/57/1067489457.db2.gz QCVMFEFVGOOPMS-HUUCEWRRSA-N -1 3 384.501 3.555 20 0 GHADHM CCCCCOc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874347 1067510742 /nfs/dbraw/zinc/51/07/42/1067510742.db2.gz OZTJDRQOYHHACM-HOTGVXAUSA-N -1 3 399.491 3.749 20 0 GHADHM O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[O-])OCO2 ZINC001467946007 1067540991 /nfs/dbraw/zinc/54/09/91/1067540991.db2.gz AGXBOBBCTQEHHA-UHFFFAOYSA-N -1 3 388.832 3.828 20 0 GHADHM CC(C)c1ccc(C(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001467982609 1067553862 /nfs/dbraw/zinc/55/38/62/1067553862.db2.gz GPMXRAQJSIHTEI-HOTGVXAUSA-N -1 3 394.487 3.935 20 0 GHADHM CCc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c([O-])c1 ZINC000849540850 1067902190 /nfs/dbraw/zinc/90/21/90/1067902190.db2.gz JGZWHNRXNHMIPA-OAQYLSRUSA-N -1 3 397.519 3.801 20 0 GHADHM CC[C@@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)[C@H]1CC1(C)C ZINC001469142330 1067993439 /nfs/dbraw/zinc/99/34/39/1067993439.db2.gz MEMZLTFGCSYWSW-HUUCEWRRSA-N -1 3 395.459 3.547 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCCc2ccccc2C1 ZINC001478219941 1078770887 /nfs/dbraw/zinc/77/08/87/1078770887.db2.gz DWINZFPUNYGDHS-MRXNPFEDSA-N -1 3 389.293 3.902 20 0 GHADHM O=c1cc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)c2cc(Cl)c([O-])cc2o1 ZINC001460603550 1069021480 /nfs/dbraw/zinc/02/14/80/1069021480.db2.gz DECYKFXLFRNSJA-DYESRHJHSA-N -1 3 385.847 3.850 20 0 GHADHM CC(C)n1nnc([N-]C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 ZINC001470779727 1072735833 /nfs/dbraw/zinc/73/58/33/1072735833.db2.gz OUHIQUGABHEKOI-UHFFFAOYSA-N -1 3 380.433 3.890 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC2(CCSCC2)CC1 ZINC001470888780 1072793773 /nfs/dbraw/zinc/79/37/73/1072793773.db2.gz DMMABGVLOQESKF-UHFFFAOYSA-N -1 3 376.909 3.931 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)cc2F)c1 ZINC001470900820 1072800712 /nfs/dbraw/zinc/80/07/12/1072800712.db2.gz MERFCMKKXIQNHX-UHFFFAOYSA-N -1 3 395.228 3.524 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c2ccccc21)C(F)(F)F ZINC001478796830 1078989023 /nfs/dbraw/zinc/98/90/23/1078989023.db2.gz REYMVFDJQKWHLJ-VRKREXBASA-N -1 3 395.425 3.557 20 0 GHADHM CCc1cccc(C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC001471058398 1072908056 /nfs/dbraw/zinc/90/80/56/1072908056.db2.gz RYDIANXXLRTXEN-MRXNPFEDSA-N -1 3 376.497 3.864 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC[C@@H]3CC=CCC3)cs2)c1 ZINC001471147882 1072941806 /nfs/dbraw/zinc/94/18/06/1072941806.db2.gz KSBDIBVGGVBONP-OAHLLOKOSA-N -1 3 399.516 3.815 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2noc3cc(F)ccc23)s1 ZINC001471433158 1073071550 /nfs/dbraw/zinc/07/15/50/1073071550.db2.gz CICPAYRAPCYPEW-UHFFFAOYSA-N -1 3 392.412 3.700 20 0 GHADHM CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC001471617222 1073160036 /nfs/dbraw/zinc/16/00/36/1073160036.db2.gz XGNHQSIMCJFLCX-UHFFFAOYSA-N -1 3 382.888 3.955 20 0 GHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471678363 1073175250 /nfs/dbraw/zinc/17/52/50/1073175250.db2.gz YBIXQJLBTJGUTC-CQSZACIVSA-N -1 3 381.476 3.801 20 0 GHADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccc(Br)cc1 ZINC001471999209 1073299063 /nfs/dbraw/zinc/29/90/63/1073299063.db2.gz MFHLCXQCXDANQN-UHFFFAOYSA-N -1 3 393.187 3.845 20 0 GHADHM CCOC(=O)[C@](C)(CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)CC(C)C ZINC001472005744 1073301554 /nfs/dbraw/zinc/30/15/54/1073301554.db2.gz XDYZUTVSTFPTSQ-FQEVSTJZSA-N -1 3 392.883 3.527 20 0 GHADHM COC(=O)c1cc(NC(=O)CCc2cccc3ccccc32)c([O-])c(OC)c1 ZINC001472229220 1073376138 /nfs/dbraw/zinc/37/61/38/1073376138.db2.gz CGXAHGVWADWQNO-UHFFFAOYSA-N -1 3 379.412 3.912 20 0 GHADHM COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)c([O-])c(OC)c1 ZINC001472228179 1073376581 /nfs/dbraw/zinc/37/65/81/1073376581.db2.gz HYFGVSFUKAXWON-NSHDSACASA-N -1 3 393.823 3.555 20 0 GHADHM O=C(NCc1cccc2c1OCCO2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001472275168 1073394052 /nfs/dbraw/zinc/39/40/52/1073394052.db2.gz YMLHHGWAQPIXPX-UHFFFAOYSA-N -1 3 377.396 3.886 20 0 GHADHM COc1cccc(C[C@@H](C)CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001472289243 1073401247 /nfs/dbraw/zinc/40/12/47/1073401247.db2.gz URWJGGHNZSDETM-KBAYOESNSA-N -1 3 383.492 3.602 20 0 GHADHM O=C(CSc1nccc2ccccc21)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288185 1073401260 /nfs/dbraw/zinc/40/12/60/1073401260.db2.gz DWYLTBBOOZFIKP-WKILWMFISA-N -1 3 394.500 3.665 20 0 GHADHM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001472412581 1073473943 /nfs/dbraw/zinc/47/39/43/1073473943.db2.gz IJSQKSUTZZVOHU-JSGCOSHPSA-N -1 3 389.293 3.847 20 0 GHADHM Cc1nc2sc3c(c2c(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])n1)CCC3 ZINC001472817436 1073679039 /nfs/dbraw/zinc/67/90/39/1073679039.db2.gz CSBVTKULECUYHM-GHMZBOCLSA-N -1 3 397.504 3.664 20 0 GHADHM Cc1nccnc1CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC001472973162 1073738799 /nfs/dbraw/zinc/73/87/99/1073738799.db2.gz QVUXYVSKGWAESU-UHFFFAOYSA-N -1 3 384.852 3.565 20 0 GHADHM COCc1ccccc1/C=C(/C)CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001474648434 1074498514 /nfs/dbraw/zinc/49/85/14/1074498514.db2.gz ZVEJCGIDPZJGGW-ABWVVVHMSA-N 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ZINC001475027328 1074693889 /nfs/dbraw/zinc/69/38/89/1074693889.db2.gz JXWHJWYHNFANGW-OCCSQVGLSA-N -1 3 377.890 3.640 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1Cl ZINC001475075099 1074725299 /nfs/dbraw/zinc/72/52/99/1074725299.db2.gz CHMCJVFIMVDAAZ-CYBMUJFWSA-N -1 3 378.252 3.799 20 0 GHADHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)OC ZINC001475120207 1074745416 /nfs/dbraw/zinc/74/54/16/1074745416.db2.gz ZVEXQNBWUBWSQC-AWEZNQCLSA-N -1 3 396.322 3.708 20 0 GHADHM CC1(C)CC([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC(C)(C)C1 ZINC001475145357 1074756415 /nfs/dbraw/zinc/75/64/15/1074756415.db2.gz KLLMXDQHDKLZFJ-HSZRJFAPSA-N -1 3 378.604 3.856 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C(C)(C)C)cc2)s1 ZINC001475158852 1074763294 /nfs/dbraw/zinc/76/32/94/1074763294.db2.gz SDYWKKXLQCDAKW-UHFFFAOYSA-N -1 3 382.551 3.705 20 0 GHADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1cccc(C)c1C ZINC001475222737 1074793174 /nfs/dbraw/zinc/79/31/74/1074793174.db2.gz PGFVIXZBESSUHY-SFHVURJKSA-N -1 3 395.908 3.681 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cc(C)cc(C)c1 ZINC001475226630 1074795100 /nfs/dbraw/zinc/79/51/00/1074795100.db2.gz JPQUIMVRALIAQR-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(Br)c1F ZINC001475240011 1074800451 /nfs/dbraw/zinc/80/04/51/1074800451.db2.gz ZZMUESLATCTULT-DGCLKSJQSA-N -1 3 388.233 3.562 20 0 GHADHM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001475268932 1074814129 /nfs/dbraw/zinc/81/41/29/1074814129.db2.gz LWJQRWQCVJOSHX-DLBZAZTESA-N -1 3 386.498 3.653 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](C)NC(=O)OC(C)(C)C ZINC001475322037 1074833187 /nfs/dbraw/zinc/83/31/87/1074833187.db2.gz XNAXMJWBRSZACV-VHSXEESVSA-N -1 3 397.324 3.573 20 0 GHADHM CC(C)Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)N(C)C)cc1 ZINC001475362192 1074849140 /nfs/dbraw/zinc/84/91/40/1074849140.db2.gz HAUAPGZVPWERAS-SFHVURJKSA-N -1 3 396.503 3.745 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)OC(C)(C)C)c(F)cc1F ZINC001475417895 1074867174 /nfs/dbraw/zinc/86/71/74/1074867174.db2.gz XEFQUUNVHYQGCZ-ZDUSSCGKSA-N -1 3 391.480 3.556 20 0 GHADHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3cc(C)sc3C)on2)cc1 ZINC001475480504 1074890035 /nfs/dbraw/zinc/89/00/35/1074890035.db2.gz YVPMQGGTYKYZGZ-UHFFFAOYSA-N -1 3 378.475 3.507 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)c1c(F)cccc1F ZINC001475701049 1075002454 /nfs/dbraw/zinc/00/24/54/1075002454.db2.gz HBKNBFHNMBHUKK-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM Cn1nc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)cc1C1CC1 ZINC001475720104 1075008124 /nfs/dbraw/zinc/00/81/24/1075008124.db2.gz FISYUVHYDKJMDU-UHFFFAOYSA-N -1 3 381.910 3.644 20 0 GHADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC001476161900 1075097688 /nfs/dbraw/zinc/09/76/88/1075097688.db2.gz MSYWSYQCHZAUJY-SFHVURJKSA-N -1 3 388.537 3.886 20 0 GHADHM C[C@@H](Sc1nnc(N)s1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018266699 221391914 /nfs/dbraw/zinc/39/19/14/221391914.db2.gz QBOJEXYCXDSWJU-ZCFIWIBFSA-N -1 3 377.476 3.532 20 0 GHADHM CSCCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737184264 598831098 /nfs/dbraw/zinc/83/10/98/598831098.db2.gz WOGFTAQYOORNBE-UHFFFAOYSA-N -1 3 381.505 3.933 20 0 GHADHM CSCCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737184264 598831100 /nfs/dbraw/zinc/83/11/00/598831100.db2.gz WOGFTAQYOORNBE-UHFFFAOYSA-N -1 3 381.505 3.933 20 0 GHADHM Cc1cccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000737384238 598831895 /nfs/dbraw/zinc/83/18/95/598831895.db2.gz JOZOXAGNVHUVDH-QGZVFWFLSA-N -1 3 377.492 3.963 20 0 GHADHM Cc1cccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000737384238 598831897 /nfs/dbraw/zinc/83/18/97/598831897.db2.gz JOZOXAGNVHUVDH-QGZVFWFLSA-N -1 3 377.492 3.963 20 0 GHADHM C[C@@H](CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)n1cccc1 ZINC000735975642 598835099 /nfs/dbraw/zinc/83/50/99/598835099.db2.gz NMDGKUKVKPTCIL-AWEZNQCLSA-N -1 3 392.488 3.664 20 0 GHADHM O=C(Cc1cccs1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737974752 598835977 /nfs/dbraw/zinc/83/59/77/598835977.db2.gz IBOGSAQXLUJKEN-UHFFFAOYSA-N -1 3 381.486 3.516 20 0 GHADHM CC[C@@H](OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000736383868 598843866 /nfs/dbraw/zinc/84/38/66/598843866.db2.gz UXWAUSJFRNAWCF-QGZVFWFLSA-N -1 3 396.447 3.729 20 0 GHADHM CC[C@@H](OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000736383868 598843868 /nfs/dbraw/zinc/84/38/68/598843868.db2.gz UXWAUSJFRNAWCF-QGZVFWFLSA-N -1 3 396.447 3.729 20 0 GHADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738087332 598851589 /nfs/dbraw/zinc/85/15/89/598851589.db2.gz CFXZEUYBNMEXMF-UHFFFAOYSA-N -1 3 395.225 3.677 20 0 GHADHM O=C(NCCc1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738087332 598851590 /nfs/dbraw/zinc/85/15/90/598851590.db2.gz CFXZEUYBNMEXMF-UHFFFAOYSA-N -1 3 395.225 3.677 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738147550 598853290 /nfs/dbraw/zinc/85/32/90/598853290.db2.gz ZLBQXZDDUYWXNP-UHFFFAOYSA-N -1 3 385.334 3.593 20 0 GHADHM O=C(Nc1cccc2[nH]ccc21)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738147550 598853292 /nfs/dbraw/zinc/85/32/92/598853292.db2.gz ZLBQXZDDUYWXNP-UHFFFAOYSA-N -1 3 385.334 3.593 20 0 GHADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)Oc1ccccc1 ZINC000736026154 598869517 /nfs/dbraw/zinc/86/95/17/598869517.db2.gz LLUVSJDYLJEIDW-LLVKDONJSA-N -1 3 382.374 3.573 20 0 GHADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)Oc1ccccc1 ZINC000736026154 598869519 /nfs/dbraw/zinc/86/95/19/598869519.db2.gz LLUVSJDYLJEIDW-LLVKDONJSA-N -1 3 382.374 3.573 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CCCC1 ZINC000736116319 598879107 /nfs/dbraw/zinc/87/91/07/598879107.db2.gz MYUYPQGTFQLKSG-ZDUSSCGKSA-N -1 3 393.451 3.754 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000737291757 598880335 /nfs/dbraw/zinc/88/03/35/598880335.db2.gz OPPDDMRNKVBFKY-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000737291757 598880336 /nfs/dbraw/zinc/88/03/36/598880336.db2.gz OPPDDMRNKVBFKY-UHFFFAOYSA-N -1 3 380.427 3.553 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736036633 598888519 /nfs/dbraw/zinc/88/85/19/598888519.db2.gz FRXAGGDKCCULEQ-KGLIPLIRSA-N -1 3 384.411 3.510 20 0 GHADHM C[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736036633 598888521 /nfs/dbraw/zinc/88/85/21/598888521.db2.gz FRXAGGDKCCULEQ-KGLIPLIRSA-N -1 3 384.411 3.510 20 0 GHADHM O=C(NCCCC1CC1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738055557 598890654 /nfs/dbraw/zinc/89/06/54/598890654.db2.gz NEAQMRHMBBDIJS-UHFFFAOYSA-N -1 3 382.493 3.585 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)N1CCC[C@H]1C1CC1 ZINC000738110486 598890865 /nfs/dbraw/zinc/89/08/65/598890865.db2.gz DPSCSQHJYQDISC-INIZCTEOSA-N -1 3 394.504 3.679 20 0 GHADHM c1c(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)nc2ccccn12 ZINC000738422382 598902875 /nfs/dbraw/zinc/90/28/75/598902875.db2.gz XOZGWEAABIWMII-UHFFFAOYSA-N -1 3 385.456 3.869 20 0 GHADHM c1c(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)nc2ccccn12 ZINC000738422382 598902877 /nfs/dbraw/zinc/90/28/77/598902877.db2.gz XOZGWEAABIWMII-UHFFFAOYSA-N -1 3 385.456 3.869 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC000736222574 598907919 /nfs/dbraw/zinc/90/79/19/598907919.db2.gz DXZBXTKRKHPODX-ZIAGYGMSSA-N -1 3 396.520 3.783 20 0 GHADHM CC(C)c1cc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)on1 ZINC000735922974 598908641 /nfs/dbraw/zinc/90/86/41/598908641.db2.gz QJGQIVHJUYSPML-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM CC(C)c1cc(CNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)on1 ZINC000735922974 598908643 /nfs/dbraw/zinc/90/86/43/598908643.db2.gz QJGQIVHJUYSPML-UHFFFAOYSA-N -1 3 388.431 3.575 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736404822 598920779 /nfs/dbraw/zinc/92/07/79/598920779.db2.gz BNTNXHLDDSNPLB-KRWDZBQOSA-N -1 3 393.495 3.965 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736404822 598920781 /nfs/dbraw/zinc/92/07/81/598920781.db2.gz BNTNXHLDDSNPLB-KRWDZBQOSA-N -1 3 393.495 3.965 20 0 GHADHM FC(F)n1c2ccccc2nc1Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737639005 598937075 /nfs/dbraw/zinc/93/70/75/598937075.db2.gz MHNGEQLDEIJMFT-UHFFFAOYSA-N -1 3 379.783 3.811 20 0 GHADHM FC(F)n1c2ccccc2nc1Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737639005 598937077 /nfs/dbraw/zinc/93/70/77/598937077.db2.gz MHNGEQLDEIJMFT-UHFFFAOYSA-N -1 3 379.783 3.811 20 0 GHADHM C[C@H](Cc1cccc(Br)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736058159 598937944 /nfs/dbraw/zinc/93/79/44/598937944.db2.gz LMEJSMHWGMUIPP-SECBINFHSA-N -1 3 393.676 3.721 20 0 GHADHM C[C@H](Cc1cccc(Br)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736058159 598937945 /nfs/dbraw/zinc/93/79/45/598937945.db2.gz LMEJSMHWGMUIPP-SECBINFHSA-N -1 3 393.676 3.721 20 0 GHADHM CC(C)C[C@H]1CCCCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735795945 598943296 /nfs/dbraw/zinc/94/32/96/598943296.db2.gz PRAFDGDHLFMJRS-GOSISDBHSA-N -1 3 387.553 3.917 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CC=CC1 ZINC000737271140 598939985 /nfs/dbraw/zinc/93/99/85/598939985.db2.gz SAVCNPBITGUYHM-UHFFFAOYSA-N -1 3 377.423 3.814 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CC=CC1 ZINC000737271140 598939987 /nfs/dbraw/zinc/93/99/87/598939987.db2.gz SAVCNPBITGUYHM-UHFFFAOYSA-N -1 3 377.423 3.814 20 0 GHADHM CC(C)C[C@H]1CCCCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735795945 598943297 /nfs/dbraw/zinc/94/32/97/598943297.db2.gz PRAFDGDHLFMJRS-GOSISDBHSA-N -1 3 387.553 3.917 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737996145 598944666 /nfs/dbraw/zinc/94/46/66/598944666.db2.gz OORZCWODSGWKFG-HXUWFJFHSA-N -1 3 387.418 3.720 20 0 GHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737996145 598944668 /nfs/dbraw/zinc/94/46/68/598944668.db2.gz OORZCWODSGWKFG-HXUWFJFHSA-N -1 3 387.418 3.720 20 0 GHADHM CCc1noc([C@H](C)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736714352 598961534 /nfs/dbraw/zinc/96/15/34/598961534.db2.gz XMKLNYQILPWMHR-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000737292632 598966977 /nfs/dbraw/zinc/96/69/77/598966977.db2.gz WRKGIHADTDTUBG-NSHDSACASA-N -1 3 379.449 3.668 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000737292632 598966978 /nfs/dbraw/zinc/96/69/78/598966978.db2.gz WRKGIHADTDTUBG-NSHDSACASA-N -1 3 379.449 3.668 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000737294914 599021346 /nfs/dbraw/zinc/02/13/46/599021346.db2.gz SPVULWHQIKGNSE-UHFFFAOYSA-N -1 3 382.399 3.747 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000737294914 599021348 /nfs/dbraw/zinc/02/13/48/599021348.db2.gz SPVULWHQIKGNSE-UHFFFAOYSA-N -1 3 382.399 3.747 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736231867 599022244 /nfs/dbraw/zinc/02/22/44/599022244.db2.gz YHPDAGKQPMKCJM-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736231867 599022247 /nfs/dbraw/zinc/02/22/47/599022247.db2.gz YHPDAGKQPMKCJM-ZIAGYGMSSA-N -1 3 378.436 3.921 20 0 GHADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735747659 599024817 /nfs/dbraw/zinc/02/48/17/599024817.db2.gz FLXMHHJQMHEXDX-FQEVSTJZSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820770013 599040065 /nfs/dbraw/zinc/04/00/65/599040065.db2.gz YOEOJLNQKNHHKZ-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820770013 599040066 /nfs/dbraw/zinc/04/00/66/599040066.db2.gz YOEOJLNQKNHHKZ-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N(Cc2ccco2)Cc2ccco2)n1 ZINC000737632015 599041978 /nfs/dbraw/zinc/04/19/78/599041978.db2.gz HZQORSSKVFCAFF-UHFFFAOYSA-N -1 3 390.325 3.673 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N(Cc2ccco2)Cc2ccco2)n1 ZINC000737632015 599041980 /nfs/dbraw/zinc/04/19/80/599041980.db2.gz HZQORSSKVFCAFF-UHFFFAOYSA-N -1 3 390.325 3.673 20 0 GHADHM CN(CCCCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736800117 599046686 /nfs/dbraw/zinc/04/66/86/599046686.db2.gz JBJJGVMUQMGZRU-UHFFFAOYSA-N -1 3 376.386 3.740 20 0 GHADHM CN(CCCCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736800117 599046689 /nfs/dbraw/zinc/04/66/89/599046689.db2.gz JBJJGVMUQMGZRU-UHFFFAOYSA-N -1 3 376.386 3.740 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737147084 599054806 /nfs/dbraw/zinc/05/48/06/599054806.db2.gz JQHRZDRFTZWOMO-ZDUSSCGKSA-N -1 3 390.369 3.631 20 0 GHADHM COc1ccccc1[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737147084 599054808 /nfs/dbraw/zinc/05/48/08/599054808.db2.gz JQHRZDRFTZWOMO-ZDUSSCGKSA-N -1 3 390.369 3.631 20 0 GHADHM Cc1cccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737390491 599061841 /nfs/dbraw/zinc/06/18/41/599061841.db2.gz UIQZMWVLMKJLJE-QGZVFWFLSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1cccc([C@H](C)CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737390491 599061844 /nfs/dbraw/zinc/06/18/44/599061844.db2.gz UIQZMWVLMKJLJE-QGZVFWFLSA-N -1 3 392.507 3.899 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737357512 599064534 /nfs/dbraw/zinc/06/45/34/599064534.db2.gz ZNHHEYLMGNXBQY-JTQLQIEISA-N -1 3 375.404 3.573 20 0 GHADHM Cc1ccc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737357512 599064537 /nfs/dbraw/zinc/06/45/37/599064537.db2.gz ZNHHEYLMGNXBQY-JTQLQIEISA-N -1 3 375.404 3.573 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503704 599070750 /nfs/dbraw/zinc/07/07/50/599070750.db2.gz ZZZDPQLPBCOSEU-BJOOFOGMSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503704 599070752 /nfs/dbraw/zinc/07/07/52/599070752.db2.gz ZZZDPQLPBCOSEU-BJOOFOGMSA-N -1 3 397.429 3.858 20 0 GHADHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821904125 599077884 /nfs/dbraw/zinc/07/78/84/599077884.db2.gz QSIUMQUWVAPOOV-NSHDSACASA-N -1 3 393.369 3.774 20 0 GHADHM C[C@@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000736116665 599081777 /nfs/dbraw/zinc/08/17/77/599081777.db2.gz CEJHUSOFHCTKOS-CQSZACIVSA-N -1 3 395.463 3.737 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391169 599103394 /nfs/dbraw/zinc/10/33/94/599103394.db2.gz ZUFYZNYEKUJKTM-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737391169 599103397 /nfs/dbraw/zinc/10/33/97/599103397.db2.gz ZUFYZNYEKUJKTM-HXUWFJFHSA-N -1 3 375.476 3.780 20 0 GHADHM O[C@@H](C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000823675836 599109295 /nfs/dbraw/zinc/10/92/95/599109295.db2.gz ZXMDJSDFRVYLBH-JXFKEZNVSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@@H](C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000823675836 599109296 /nfs/dbraw/zinc/10/92/96/599109296.db2.gz ZXMDJSDFRVYLBH-JXFKEZNVSA-N -1 3 386.459 3.507 20 0 GHADHM Cc1cccc2oc(CCNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)nc21 ZINC000822341015 599111917 /nfs/dbraw/zinc/11/19/17/599111917.db2.gz QPQRMDGQHRNERA-UHFFFAOYSA-N -1 3 388.353 3.990 20 0 GHADHM Cc1cccc2oc(CCNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)nc21 ZINC000822341015 599111921 /nfs/dbraw/zinc/11/19/21/599111921.db2.gz QPQRMDGQHRNERA-UHFFFAOYSA-N -1 3 388.353 3.990 20 0 GHADHM COCCN(C(=O)CCc1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989983 599116325 /nfs/dbraw/zinc/11/63/25/599116325.db2.gz XZEPECNJDXXOAS-UHFFFAOYSA-N -1 3 393.491 3.602 20 0 GHADHM COCCN(C(=O)CCc1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989983 599116327 /nfs/dbraw/zinc/11/63/27/599116327.db2.gz XZEPECNJDXXOAS-UHFFFAOYSA-N -1 3 393.491 3.602 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819867616 599142645 /nfs/dbraw/zinc/14/26/45/599142645.db2.gz UWSORYMHCUDJNI-SNVBAGLBSA-N -1 3 377.326 3.796 20 0 GHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819867616 599142648 /nfs/dbraw/zinc/14/26/48/599142648.db2.gz UWSORYMHCUDJNI-SNVBAGLBSA-N -1 3 377.326 3.796 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nnn[n-]1 ZINC000737082180 599155908 /nfs/dbraw/zinc/15/59/08/599155908.db2.gz IXZKEOCEQKZTQP-YHYXMXQVSA-N -1 3 388.765 3.767 20 0 GHADHM COc1ccc(C=C(Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1-c1nn[n-]n1 ZINC000737082180 599155912 /nfs/dbraw/zinc/15/59/12/599155912.db2.gz IXZKEOCEQKZTQP-YHYXMXQVSA-N -1 3 388.765 3.767 20 0 GHADHM C[C@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735974052 599159669 /nfs/dbraw/zinc/15/96/69/599159669.db2.gz FOIMCMIBGGZJHU-CQSZACIVSA-N -1 3 399.495 3.549 20 0 GHADHM C[C@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735974052 599159672 /nfs/dbraw/zinc/15/96/72/599159672.db2.gz FOIMCMIBGGZJHU-CQSZACIVSA-N -1 3 399.495 3.549 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000736670743 599160606 /nfs/dbraw/zinc/16/06/06/599160606.db2.gz QCHXTGGWFKNAGV-QWRGUYRKSA-N -1 3 389.431 3.819 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000736670743 599160608 /nfs/dbraw/zinc/16/06/08/599160608.db2.gz QCHXTGGWFKNAGV-QWRGUYRKSA-N -1 3 389.431 3.819 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737419801 599161500 /nfs/dbraw/zinc/16/15/00/599161500.db2.gz DWWFVLOPYMUHTA-LBPRGKRZSA-N -1 3 387.390 3.909 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737419801 599161502 /nfs/dbraw/zinc/16/15/02/599161502.db2.gz DWWFVLOPYMUHTA-LBPRGKRZSA-N -1 3 387.390 3.909 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233229 599161817 /nfs/dbraw/zinc/16/18/17/599161817.db2.gz KWLCMFBCJVNXLL-UXHICEINSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233229 599161819 /nfs/dbraw/zinc/16/18/19/599161819.db2.gz KWLCMFBCJVNXLL-UXHICEINSA-N -1 3 375.476 3.512 20 0 GHADHM C[C@]12CC3CC(C(=O)NCc4cc(-c5nnn[n-]5)ccc4F)(C1)C[C@@](C)(C3)C2 ZINC000820633337 599175183 /nfs/dbraw/zinc/17/51/83/599175183.db2.gz ALDGHBFTRIQANY-SWOGZVPRSA-N -1 3 383.471 3.619 20 0 GHADHM C[C@]12CC3CC(C(=O)NCc4cc(-c5nn[n-]n5)ccc4F)(C1)C[C@@](C)(C3)C2 ZINC000820633337 599175185 /nfs/dbraw/zinc/17/51/85/599175185.db2.gz ALDGHBFTRIQANY-SWOGZVPRSA-N -1 3 383.471 3.619 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251795 599176474 /nfs/dbraw/zinc/17/64/74/599176474.db2.gz RXZUVJSNWFQJJZ-HUUCEWRRSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251795 599176478 /nfs/dbraw/zinc/17/64/78/599176478.db2.gz RXZUVJSNWFQJJZ-HUUCEWRRSA-N -1 3 375.215 3.883 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cnc4ccsc4c3)c2-c2nnn[n-]2)C1 ZINC000736281773 599177202 /nfs/dbraw/zinc/17/72/02/599177202.db2.gz WNPRMAJGEMPUGL-VIFPVBQESA-N -1 3 396.501 3.915 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)c3cnc4ccsc4c3)c2-c2nn[n-]n2)C1 ZINC000736281773 599177204 /nfs/dbraw/zinc/17/72/04/599177204.db2.gz WNPRMAJGEMPUGL-VIFPVBQESA-N -1 3 396.501 3.915 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)c1cccc(F)c1 ZINC000736280884 599177397 /nfs/dbraw/zinc/17/73/97/599177397.db2.gz QYTBCKUBLCFLGK-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2)c1cccc(F)c1 ZINC000736280884 599177399 /nfs/dbraw/zinc/17/73/99/599177399.db2.gz QYTBCKUBLCFLGK-MNOVXSKESA-N -1 3 385.468 3.934 20 0 GHADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000737443670 599185566 /nfs/dbraw/zinc/18/55/66/599185566.db2.gz IPSAEIWNBPCNEX-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM Cc1ccncc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000737443670 599185568 /nfs/dbraw/zinc/18/55/68/599185568.db2.gz IPSAEIWNBPCNEX-UHFFFAOYSA-N -1 3 388.456 3.650 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000737289642 599187254 /nfs/dbraw/zinc/18/72/54/599187254.db2.gz RNQKFCLSNUWVAP-NSHDSACASA-N -1 3 375.354 3.936 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000737289642 599187257 /nfs/dbraw/zinc/18/72/57/599187257.db2.gz RNQKFCLSNUWVAP-NSHDSACASA-N -1 3 375.354 3.936 20 0 GHADHM COc1ccc2sc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC)c(C)c2c1 ZINC000737121052 599187604 /nfs/dbraw/zinc/18/76/04/599187604.db2.gz WBTBUVZUOMCYEB-UHFFFAOYSA-N -1 3 395.444 3.659 20 0 GHADHM COc1ccc2sc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC)c(C)c2c1 ZINC000737121052 599187606 /nfs/dbraw/zinc/18/76/06/599187606.db2.gz WBTBUVZUOMCYEB-UHFFFAOYSA-N -1 3 395.444 3.659 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821034942 599195116 /nfs/dbraw/zinc/19/51/16/599195116.db2.gz WYPHUPINQUSSOG-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821034942 599195117 /nfs/dbraw/zinc/19/51/17/599195117.db2.gz WYPHUPINQUSSOG-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000822977940 599197609 /nfs/dbraw/zinc/19/76/09/599197609.db2.gz CPZCRUOIOQZSNR-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000822977940 599197610 /nfs/dbraw/zinc/19/76/10/599197610.db2.gz CPZCRUOIOQZSNR-UHFFFAOYSA-N -1 3 375.354 3.543 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2cccnc2c1C ZINC000822208376 599197754 /nfs/dbraw/zinc/19/77/54/599197754.db2.gz OXMFILMWPZXZPM-UHFFFAOYSA-N -1 3 390.472 3.763 20 0 GHADHM Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2cccnc2c1C ZINC000822208376 599197756 /nfs/dbraw/zinc/19/77/56/599197756.db2.gz OXMFILMWPZXZPM-UHFFFAOYSA-N -1 3 390.472 3.763 20 0 GHADHM C[C@@H]1C[C@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736236476 599199184 /nfs/dbraw/zinc/19/91/84/599199184.db2.gz JWKKTXPLONCCRO-YPMHNXCESA-N -1 3 383.839 3.698 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000736479323 599200062 /nfs/dbraw/zinc/20/00/62/599200062.db2.gz FEXLNVOPJSLFLK-UHFFFAOYSA-N -1 3 392.438 3.848 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000736479323 599200064 /nfs/dbraw/zinc/20/00/64/599200064.db2.gz FEXLNVOPJSLFLK-UHFFFAOYSA-N -1 3 392.438 3.848 20 0 GHADHM Fc1ccc(-n2ccc(CSCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822761315 599224317 /nfs/dbraw/zinc/22/43/17/599224317.db2.gz ICXXKBKYXDFAIM-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM Fc1ccc(-n2ccc(CSCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822761315 599224320 /nfs/dbraw/zinc/22/43/20/599224320.db2.gz ICXXKBKYXDFAIM-UHFFFAOYSA-N -1 3 396.451 3.504 20 0 GHADHM CCSCC[C@H](C)N(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821454382 599238851 /nfs/dbraw/zinc/23/88/51/599238851.db2.gz FZFCYEPLOPSHNM-JTQLQIEISA-N -1 3 384.962 3.680 20 0 GHADHM CCSCC[C@H](C)N(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821454382 599238852 /nfs/dbraw/zinc/23/88/52/599238852.db2.gz FZFCYEPLOPSHNM-JTQLQIEISA-N -1 3 384.962 3.680 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cccc1-c1nnn[n-]1 ZINC000822060254 607268883 /nfs/dbraw/zinc/26/88/83/607268883.db2.gz GFBLJJLXUOWXDA-LSDHHAIUSA-N -1 3 398.264 3.680 20 0 GHADHM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cccc1-c1nn[n-]n1 ZINC000822060254 607268884 /nfs/dbraw/zinc/26/88/84/607268884.db2.gz GFBLJJLXUOWXDA-LSDHHAIUSA-N -1 3 398.264 3.680 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737809219 599247052 /nfs/dbraw/zinc/24/70/52/599247052.db2.gz UXDZHVGDMHGVKO-VMPITWQZSA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737809219 599247055 /nfs/dbraw/zinc/24/70/55/599247055.db2.gz UXDZHVGDMHGVKO-VMPITWQZSA-N -1 3 376.807 3.720 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741245 599248547 /nfs/dbraw/zinc/24/85/47/599248547.db2.gz DAQWTVGBKKFERP-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741245 599248548 /nfs/dbraw/zinc/24/85/48/599248548.db2.gz DAQWTVGBKKFERP-UHFFFAOYSA-N -1 3 377.448 3.855 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820869327 599252225 /nfs/dbraw/zinc/25/22/25/599252225.db2.gz GPRGSVLQKNMVCT-CHWSQXEVSA-N -1 3 399.524 3.860 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820869327 599252227 /nfs/dbraw/zinc/25/22/27/599252227.db2.gz GPRGSVLQKNMVCT-CHWSQXEVSA-N -1 3 399.524 3.860 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737943647 599252687 /nfs/dbraw/zinc/25/26/87/599252687.db2.gz SXJNSQXMKMYLSY-INIZCTEOSA-N -1 3 385.880 3.586 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000737943647 599252689 /nfs/dbraw/zinc/25/26/89/599252689.db2.gz SXJNSQXMKMYLSY-INIZCTEOSA-N -1 3 385.880 3.586 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000822299636 607301922 /nfs/dbraw/zinc/30/19/22/607301922.db2.gz PTTAEYVPRFKIGB-INIZCTEOSA-N -1 3 382.855 3.509 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822299636 607301923 /nfs/dbraw/zinc/30/19/23/607301923.db2.gz PTTAEYVPRFKIGB-INIZCTEOSA-N -1 3 382.855 3.509 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000822351030 607292867 /nfs/dbraw/zinc/29/28/67/607292867.db2.gz KCOCUHKOQYOAPK-GOEBONIOSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000822351030 607292868 /nfs/dbraw/zinc/29/28/68/607292868.db2.gz KCOCUHKOQYOAPK-GOEBONIOSA-N -1 3 376.464 3.893 20 0 GHADHM C[C@@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820357787 599259246 /nfs/dbraw/zinc/25/92/46/599259246.db2.gz KBGZOKYFGDVXNL-YAJMATIESA-N -1 3 396.882 3.827 20 0 GHADHM C[C@@H](NC(=O)NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820357787 599259247 /nfs/dbraw/zinc/25/92/47/599259247.db2.gz KBGZOKYFGDVXNL-YAJMATIESA-N -1 3 396.882 3.827 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737262868 599259770 /nfs/dbraw/zinc/25/97/70/599259770.db2.gz HDUHKDPLJAKMGM-UHFFFAOYSA-N -1 3 399.907 3.900 20 0 GHADHM Cc1cc(Cl)cc2c1N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737262868 599259772 /nfs/dbraw/zinc/25/97/72/599259772.db2.gz HDUHKDPLJAKMGM-UHFFFAOYSA-N -1 3 399.907 3.900 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822449773 607297554 /nfs/dbraw/zinc/29/75/54/607297554.db2.gz OJSMKBOIKGLOGO-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822449773 607297555 /nfs/dbraw/zinc/29/75/55/607297555.db2.gz OJSMKBOIKGLOGO-UHFFFAOYSA-N -1 3 390.472 3.783 20 0 GHADHM Cc1cc(C)c(NC(=O)c2sccc2-c2nnn[n-]2)c(Br)c1 ZINC000822194374 607298231 /nfs/dbraw/zinc/29/82/31/607298231.db2.gz USINSUFEAXPEQD-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1cc(C)c(NC(=O)c2sccc2-c2nn[n-]n2)c(Br)c1 ZINC000822194374 607298232 /nfs/dbraw/zinc/29/82/32/607298232.db2.gz USINSUFEAXPEQD-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)c1cc2ccccc2o1 ZINC000821161162 607299598 /nfs/dbraw/zinc/29/95/98/607299598.db2.gz VSIOESTZUIUWHC-LLVKDONJSA-N -1 3 396.838 3.885 20 0 GHADHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)c1cc2ccccc2o1 ZINC000821161162 607299599 /nfs/dbraw/zinc/29/95/99/607299599.db2.gz VSIOESTZUIUWHC-LLVKDONJSA-N -1 3 396.838 3.885 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820571293 607301005 /nfs/dbraw/zinc/30/10/05/607301005.db2.gz XNXJXJHMOOSGRG-ZDUSSCGKSA-N -1 3 396.882 3.919 20 0 GHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820571293 607301006 /nfs/dbraw/zinc/30/10/06/607301006.db2.gz XNXJXJHMOOSGRG-ZDUSSCGKSA-N -1 3 396.882 3.919 20 0 GHADHM COc1ccc(CNc2ccc3c(c2)OC2(CCCC2)O3)cc1-c1nnn[n-]1 ZINC000821821330 607310441 /nfs/dbraw/zinc/31/04/41/607310441.db2.gz FJGBFCVGWSRSGB-UHFFFAOYSA-N -1 3 379.420 3.529 20 0 GHADHM COc1ccc(CNc2ccc3c(c2)OC2(CCCC2)O3)cc1-c1nn[n-]n1 ZINC000821821330 607310442 /nfs/dbraw/zinc/31/04/42/607310442.db2.gz FJGBFCVGWSRSGB-UHFFFAOYSA-N -1 3 379.420 3.529 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000738277428 599265704 /nfs/dbraw/zinc/26/57/04/599265704.db2.gz DAOQHZHGTHGFCG-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM O=C(c1ccccc1)C1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000738277428 599265705 /nfs/dbraw/zinc/26/57/05/599265705.db2.gz DAOQHZHGTHGFCG-UHFFFAOYSA-N -1 3 384.443 3.514 20 0 GHADHM C[C@@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820225827 607303688 /nfs/dbraw/zinc/30/36/88/607303688.db2.gz QBHKQTNIBSYXBB-VIFPVBQESA-N -1 3 392.282 3.823 20 0 GHADHM C[C@@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820225827 607303689 /nfs/dbraw/zinc/30/36/89/607303689.db2.gz QBHKQTNIBSYXBB-VIFPVBQESA-N -1 3 392.282 3.823 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736117208 599275456 /nfs/dbraw/zinc/27/54/56/599275456.db2.gz IOQPWRAAQMRUDJ-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736117208 599275457 /nfs/dbraw/zinc/27/54/57/599275457.db2.gz IOQPWRAAQMRUDJ-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820690524 599276514 /nfs/dbraw/zinc/27/65/14/599276514.db2.gz NFYJMAHGYIQDOO-QWRGUYRKSA-N -1 3 380.399 3.511 20 0 GHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820690524 599276515 /nfs/dbraw/zinc/27/65/15/599276515.db2.gz NFYJMAHGYIQDOO-QWRGUYRKSA-N -1 3 380.399 3.511 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820950206 599277145 /nfs/dbraw/zinc/27/71/45/599277145.db2.gz KSUYOXISKVFKLW-QGZVFWFLSA-N -1 3 380.399 3.512 20 0 GHADHM CC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820950206 599277147 /nfs/dbraw/zinc/27/71/47/599277147.db2.gz KSUYOXISKVFKLW-QGZVFWFLSA-N -1 3 380.399 3.512 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000822299248 599279146 /nfs/dbraw/zinc/27/91/46/599279146.db2.gz CGUABVNTBIPRHE-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000822299248 599279148 /nfs/dbraw/zinc/27/91/48/599279148.db2.gz CGUABVNTBIPRHE-GOSISDBHSA-N -1 3 380.427 3.992 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc21 ZINC000821146956 599281630 /nfs/dbraw/zinc/28/16/30/599281630.db2.gz BVBIDEFCJKAFRZ-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM CCCn1ccc2cc(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc21 ZINC000821146956 599281634 /nfs/dbraw/zinc/28/16/34/599281634.db2.gz BVBIDEFCJKAFRZ-UHFFFAOYSA-N -1 3 393.426 3.692 20 0 GHADHM CCSCc1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821461096 599284021 /nfs/dbraw/zinc/28/40/21/599284021.db2.gz JLSUVVKEUDOEKI-UHFFFAOYSA-N -1 3 382.493 3.784 20 0 GHADHM CCSCc1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821461096 599284023 /nfs/dbraw/zinc/28/40/23/599284023.db2.gz JLSUVVKEUDOEKI-UHFFFAOYSA-N -1 3 382.493 3.784 20 0 GHADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819951287 599285914 /nfs/dbraw/zinc/28/59/14/599285914.db2.gz RAUHNBZGDLGUFV-UHFFFAOYSA-N -1 3 388.419 3.539 20 0 GHADHM CC(C)(C)SCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819951287 599285917 /nfs/dbraw/zinc/28/59/17/599285917.db2.gz RAUHNBZGDLGUFV-UHFFFAOYSA-N -1 3 388.419 3.539 20 0 GHADHM CN(Cc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821615809 599286255 /nfs/dbraw/zinc/28/62/55/599286255.db2.gz OIENHWSBYRGTHW-UHFFFAOYSA-N -1 3 382.371 3.611 20 0 GHADHM CN(Cc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821615809 599286257 /nfs/dbraw/zinc/28/62/57/599286257.db2.gz OIENHWSBYRGTHW-UHFFFAOYSA-N -1 3 382.371 3.611 20 0 GHADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822235878 599287453 /nfs/dbraw/zinc/28/74/53/599287453.db2.gz ANHAHZDTTKEIQX-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM Cc1ccc(CCNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822235878 599287455 /nfs/dbraw/zinc/28/74/55/599287455.db2.gz ANHAHZDTTKEIQX-UHFFFAOYSA-N -1 3 390.369 3.558 20 0 GHADHM COC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000821683613 607326232 /nfs/dbraw/zinc/32/62/32/607326232.db2.gz FZXBTYHYEGJIGS-OAHLLOKOSA-N -1 3 381.333 3.824 20 0 GHADHM COC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000821683613 607326233 /nfs/dbraw/zinc/32/62/33/607326233.db2.gz FZXBTYHYEGJIGS-OAHLLOKOSA-N -1 3 381.333 3.824 20 0 GHADHM COc1cc(CN2CCC(C(=O)[O-])CC2)cc(OC)c1OCc1ccccc1 ZINC000003747667 598118807 /nfs/dbraw/zinc/11/88/07/598118807.db2.gz ICWYNZMEOUJFCA-UHFFFAOYSA-N -1 3 385.460 3.579 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1c[nH]c2ncccc12 ZINC000738182350 598232690 /nfs/dbraw/zinc/23/26/90/598232690.db2.gz DXWMLKLWPMOSIW-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM O=C(CCC1CCCCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737823189 598236791 /nfs/dbraw/zinc/23/67/91/598236791.db2.gz GSRZQFJYLNEYOO-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(CCC1CCCCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737823189 598236793 /nfs/dbraw/zinc/23/67/93/598236793.db2.gz GSRZQFJYLNEYOO-UHFFFAOYSA-N -1 3 383.496 3.597 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736343106 598239603 /nfs/dbraw/zinc/23/96/03/598239603.db2.gz XDHJADAMXZMABQ-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM CCC(CC)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736343106 598239605 /nfs/dbraw/zinc/23/96/05/598239605.db2.gz XDHJADAMXZMABQ-UHFFFAOYSA-N -1 3 379.464 3.612 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737636483 598245940 /nfs/dbraw/zinc/24/59/40/598245940.db2.gz UKDUNGJBWUBHHA-MLGOLLRUSA-N -1 3 386.381 3.737 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@H]1Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737636483 598245942 /nfs/dbraw/zinc/24/59/42/598245942.db2.gz UKDUNGJBWUBHHA-MLGOLLRUSA-N -1 3 386.381 3.737 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000736265692 598267123 /nfs/dbraw/zinc/26/71/23/598267123.db2.gz LFJFHGTXHBSVOY-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736265692 598267128 /nfs/dbraw/zinc/26/71/28/598267128.db2.gz LFJFHGTXHBSVOY-AWEZNQCLSA-N -1 3 378.436 3.923 20 0 GHADHM C[C@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736140194 598273434 /nfs/dbraw/zinc/27/34/34/598273434.db2.gz ZQAZSQAVAITOMN-VIFPVBQESA-N -1 3 392.797 3.897 20 0 GHADHM C[C@H](Nc1cccc(C(F)F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736140194 598273435 /nfs/dbraw/zinc/27/34/35/598273435.db2.gz ZQAZSQAVAITOMN-VIFPVBQESA-N -1 3 392.797 3.897 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737410595 598277497 /nfs/dbraw/zinc/27/74/97/598277497.db2.gz VQMFBRPQCGOBTF-INIZCTEOSA-N -1 3 384.896 3.802 20 0 GHADHM Cc1cccc2c1CC[C@@H]2NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737410595 598277499 /nfs/dbraw/zinc/27/74/99/598277499.db2.gz VQMFBRPQCGOBTF-INIZCTEOSA-N -1 3 384.896 3.802 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736829023 598282301 /nfs/dbraw/zinc/28/23/01/598282301.db2.gz UZBIHAIDTUBZHM-UHFFFAOYSA-N -1 3 398.470 3.875 20 0 GHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736829023 598282302 /nfs/dbraw/zinc/28/23/02/598282302.db2.gz UZBIHAIDTUBZHM-UHFFFAOYSA-N -1 3 398.470 3.875 20 0 GHADHM CCSc1ccc(Cl)cc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736668483 598284916 /nfs/dbraw/zinc/28/49/16/598284916.db2.gz YMZOWQYNXLKNLO-UHFFFAOYSA-N -1 3 388.884 3.683 20 0 GHADHM CCSc1ccc(Cl)cc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736668483 598284918 /nfs/dbraw/zinc/28/49/18/598284918.db2.gz YMZOWQYNXLKNLO-UHFFFAOYSA-N -1 3 388.884 3.683 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000735647961 598285134 /nfs/dbraw/zinc/28/51/34/598285134.db2.gz IPTRDVGWYFPMFM-UHFFFAOYSA-N -1 3 387.447 3.807 20 0 GHADHM CC(C)(C)c1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000735647961 598285135 /nfs/dbraw/zinc/28/51/35/598285135.db2.gz IPTRDVGWYFPMFM-UHFFFAOYSA-N -1 3 387.447 3.807 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(Oc3ccccc3)c2)s1 ZINC000736678735 598295638 /nfs/dbraw/zinc/29/56/38/598295638.db2.gz GZSAMBBSMPRSSU-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(Oc3ccccc3)c2)s1 ZINC000736678735 598295640 /nfs/dbraw/zinc/29/56/40/598295640.db2.gz GZSAMBBSMPRSSU-UHFFFAOYSA-N -1 3 392.444 3.930 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737464643 598302572 /nfs/dbraw/zinc/30/25/72/598302572.db2.gz SHFMLJCLECOKBJ-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737464643 598302574 /nfs/dbraw/zinc/30/25/74/598302574.db2.gz SHFMLJCLECOKBJ-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Fc1cccc(-n2ccc(CSCc3ccc(F)cc3-c3nnn[n-]3)n2)c1 ZINC000737668653 598315789 /nfs/dbraw/zinc/31/57/89/598315789.db2.gz WNXWEAJFXJDQRS-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Fc1cccc(-n2ccc(CSCc3ccc(F)cc3-c3nn[n-]n3)n2)c1 ZINC000737668653 598315791 /nfs/dbraw/zinc/31/57/91/598315791.db2.gz WNXWEAJFXJDQRS-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(COc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737576149 598315960 /nfs/dbraw/zinc/31/59/60/598315960.db2.gz XKXQCSSIVHXPAH-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1cccc(Cl)c1-c1nnc(COc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737576149 598315961 /nfs/dbraw/zinc/31/59/61/598315961.db2.gz XKXQCSSIVHXPAH-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM S=C(NCCCOC1CCCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400280 598319377 /nfs/dbraw/zinc/31/93/77/598319377.db2.gz CTDMIILZSSTPRP-UHFFFAOYSA-N -1 3 394.932 3.546 20 0 GHADHM S=C(NCCCOC1CCCCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738400280 598319379 /nfs/dbraw/zinc/31/93/79/598319379.db2.gz CTDMIILZSSTPRP-UHFFFAOYSA-N -1 3 394.932 3.546 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738402190 598319470 /nfs/dbraw/zinc/31/94/70/598319470.db2.gz ZPCISGLQVSCBMJ-OAHLLOKOSA-N -1 3 398.923 3.924 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738402190 598319472 /nfs/dbraw/zinc/31/94/72/598319472.db2.gz ZPCISGLQVSCBMJ-OAHLLOKOSA-N -1 3 398.923 3.924 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=S)N[C@H](C)c1cccs1 ZINC000735906773 598321445 /nfs/dbraw/zinc/32/14/45/598321445.db2.gz WNLBFHUSEZBVKX-LLVKDONJSA-N -1 3 388.522 3.763 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=S)N[C@H](C)c1cccs1 ZINC000735906773 598321446 /nfs/dbraw/zinc/32/14/46/598321446.db2.gz WNLBFHUSEZBVKX-LLVKDONJSA-N -1 3 388.522 3.763 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737072637 598322500 /nfs/dbraw/zinc/32/25/00/598322500.db2.gz UHLCXYZKEICVJG-UHFFFAOYSA-N -1 3 398.442 3.634 20 0 GHADHM COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737072637 598322502 /nfs/dbraw/zinc/32/25/02/598322502.db2.gz UHLCXYZKEICVJG-UHFFFAOYSA-N -1 3 398.442 3.634 20 0 GHADHM CC1CCC(CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736236736 598327102 /nfs/dbraw/zinc/32/71/02/598327102.db2.gz MIQAKYZXZNZLGU-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM CC1CCC(CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736236736 598327104 /nfs/dbraw/zinc/32/71/04/598327104.db2.gz MIQAKYZXZNZLGU-UHFFFAOYSA-N -1 3 395.463 3.595 20 0 GHADHM CCN(C(=O)[C@H]1CCCc2sccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146920 607351012 /nfs/dbraw/zinc/35/10/12/607351012.db2.gz AOPCCZCPLVVUDW-GUYCJALGSA-N -1 3 381.505 3.958 20 0 GHADHM CCN(C(=O)[C@H]1CCCc2sccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146920 607351014 /nfs/dbraw/zinc/35/10/14/607351014.db2.gz AOPCCZCPLVVUDW-GUYCJALGSA-N -1 3 381.505 3.958 20 0 GHADHM Cc1cc(F)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822204666 607351610 /nfs/dbraw/zinc/35/16/10/607351610.db2.gz WNTWNSKMYXMEDH-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1cc(F)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822204666 607351611 /nfs/dbraw/zinc/35/16/11/607351611.db2.gz WNTWNSKMYXMEDH-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM O=C(OCc1ccc(Oc2ccccc2)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823426358 607353602 /nfs/dbraw/zinc/35/36/02/607353602.db2.gz FRAJEJZTVZWIML-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1ccc(Oc2ccccc2)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823426358 607353604 /nfs/dbraw/zinc/35/36/04/607353604.db2.gz FRAJEJZTVZWIML-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000738152108 598361465 /nfs/dbraw/zinc/36/14/65/598361465.db2.gz NOKKUEBXCFECMX-IAGOWNOFSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000738152108 598361467 /nfs/dbraw/zinc/36/14/67/598361467.db2.gz NOKKUEBXCFECMX-IAGOWNOFSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)N1Cc2ccccc2C1 ZINC000738173841 598373461 /nfs/dbraw/zinc/37/34/61/598373461.db2.gz SUSKGQNPKOWGTI-UHFFFAOYSA-N -1 3 399.414 3.602 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)N1Cc2ccccc2C1 ZINC000738173841 598373463 /nfs/dbraw/zinc/37/34/63/598373463.db2.gz SUSKGQNPKOWGTI-UHFFFAOYSA-N -1 3 399.414 3.602 20 0 GHADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1SC(F)(F)F ZINC000737899595 598384521 /nfs/dbraw/zinc/38/45/21/598384521.db2.gz TVAPXUNUVVHDIY-UHFFFAOYSA-N -1 3 394.382 3.529 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502612 598395399 /nfs/dbraw/zinc/39/53/99/598395399.db2.gz ORPYGIUOLDLZQB-VOBQZIQPSA-N -1 3 391.475 3.589 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502612 598395400 /nfs/dbraw/zinc/39/54/00/598395400.db2.gz ORPYGIUOLDLZQB-VOBQZIQPSA-N -1 3 391.475 3.589 20 0 GHADHM CC(C)COc1ccc(C(C)(C)CNC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000735838658 598399532 /nfs/dbraw/zinc/39/95/32/598399532.db2.gz SBZBRXJICGSKDN-UHFFFAOYSA-N -1 3 399.520 3.671 20 0 GHADHM CC(C)COc1ccc(C(C)(C)CNC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000735838658 598399533 /nfs/dbraw/zinc/39/95/33/598399533.db2.gz SBZBRXJICGSKDN-UHFFFAOYSA-N -1 3 399.520 3.671 20 0 GHADHM O=C(c1c[nH]c2cc(Cl)ccc12)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738246294 598402297 /nfs/dbraw/zinc/40/22/97/598402297.db2.gz DTGGNUVMSLEZIF-UHFFFAOYSA-N -1 3 392.850 3.806 20 0 GHADHM O=C(c1c[nH]c2cc(Cl)ccc12)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738246294 598402298 /nfs/dbraw/zinc/40/22/98/598402298.db2.gz DTGGNUVMSLEZIF-UHFFFAOYSA-N -1 3 392.850 3.806 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738231349 598412144 /nfs/dbraw/zinc/41/21/44/598412144.db2.gz LRXQSOGEBUXBCU-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000738231349 598412145 /nfs/dbraw/zinc/41/21/45/598412145.db2.gz LRXQSOGEBUXBCU-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc2c1ccn2C ZINC000736478706 598412698 /nfs/dbraw/zinc/41/26/98/598412698.db2.gz AQWRUHKVMYTNDR-UHFFFAOYSA-N -1 3 389.463 3.803 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2c1ccn2C ZINC000736478706 598412699 /nfs/dbraw/zinc/41/26/99/598412699.db2.gz AQWRUHKVMYTNDR-UHFFFAOYSA-N -1 3 389.463 3.803 20 0 GHADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738216293 598416987 /nfs/dbraw/zinc/41/69/87/598416987.db2.gz XHTWIWBZABLYBO-ZDUSSCGKSA-N -1 3 382.729 3.981 20 0 GHADHM O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738216293 598416989 /nfs/dbraw/zinc/41/69/89/598416989.db2.gz XHTWIWBZABLYBO-ZDUSSCGKSA-N -1 3 382.729 3.981 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCOc1cc(C)cc(C)c1C ZINC000736633854 598420676 /nfs/dbraw/zinc/42/06/76/598420676.db2.gz FSBQSRABQRYGAI-UHFFFAOYSA-N -1 3 395.463 3.598 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCOc1cc(C)cc(C)c1C ZINC000736633854 598420677 /nfs/dbraw/zinc/42/06/77/598420677.db2.gz FSBQSRABQRYGAI-UHFFFAOYSA-N -1 3 395.463 3.598 20 0 GHADHM CSc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737191491 598421249 /nfs/dbraw/zinc/42/12/49/598421249.db2.gz NOZVGDPECUZKGF-UHFFFAOYSA-N -1 3 383.405 3.504 20 0 GHADHM CSc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737191491 598421251 /nfs/dbraw/zinc/42/12/51/598421251.db2.gz NOZVGDPECUZKGF-UHFFFAOYSA-N -1 3 383.405 3.504 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000736647301 598426177 /nfs/dbraw/zinc/42/61/77/598426177.db2.gz OTHHCSXJODFBEE-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000736647301 598426178 /nfs/dbraw/zinc/42/61/78/598426178.db2.gz OTHHCSXJODFBEE-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736624708 598426314 /nfs/dbraw/zinc/42/63/14/598426314.db2.gz FPJBFHVPIFMYJW-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736624708 598426316 /nfs/dbraw/zinc/42/63/16/598426316.db2.gz FPJBFHVPIFMYJW-UHFFFAOYSA-N -1 3 398.442 3.847 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000735875534 598428045 /nfs/dbraw/zinc/42/80/45/598428045.db2.gz VHAPLLKFGCDJMN-HXUWFJFHSA-N -1 3 390.491 3.938 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000735875534 598428047 /nfs/dbraw/zinc/42/80/47/598428047.db2.gz VHAPLLKFGCDJMN-HXUWFJFHSA-N -1 3 390.491 3.938 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000735831848 598429487 /nfs/dbraw/zinc/42/94/87/598429487.db2.gz WGJMZUFIRVIMNT-MRXNPFEDSA-N -1 3 378.480 3.796 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000735831848 598429488 /nfs/dbraw/zinc/42/94/88/598429488.db2.gz WGJMZUFIRVIMNT-MRXNPFEDSA-N -1 3 378.480 3.796 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738213593 598437753 /nfs/dbraw/zinc/43/77/53/598437753.db2.gz ZPGOQFMEXMKSAE-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738213593 598437755 /nfs/dbraw/zinc/43/77/55/598437755.db2.gz ZPGOQFMEXMKSAE-UHFFFAOYSA-N -1 3 399.439 3.791 20 0 GHADHM COc1ccc(CCCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737089267 598441351 /nfs/dbraw/zinc/44/13/51/598441351.db2.gz RRFOHRORJUPXNN-UHFFFAOYSA-N -1 3 396.447 3.592 20 0 GHADHM COc1ccc(CCCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000737089267 598441353 /nfs/dbraw/zinc/44/13/53/598441353.db2.gz RRFOHRORJUPXNN-UHFFFAOYSA-N -1 3 396.447 3.592 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735873188 598445179 /nfs/dbraw/zinc/44/51/79/598445179.db2.gz BGGJVVBQOHKBSH-UHFFFAOYSA-N -1 3 391.262 3.619 20 0 GHADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735873188 598445181 /nfs/dbraw/zinc/44/51/81/598445181.db2.gz BGGJVVBQOHKBSH-UHFFFAOYSA-N -1 3 391.262 3.619 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737800172 598447659 /nfs/dbraw/zinc/44/76/59/598447659.db2.gz PWTIUUOPRYGAPC-HJWRWDBZSA-N -1 3 399.376 3.704 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737800172 598447661 /nfs/dbraw/zinc/44/76/61/598447661.db2.gz PWTIUUOPRYGAPC-HJWRWDBZSA-N -1 3 399.376 3.704 20 0 GHADHM O=C(CN(Cc1ccsc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737866030 598461727 /nfs/dbraw/zinc/46/17/27/598461727.db2.gz VFSCZTLRUZIWJG-UHFFFAOYSA-N -1 3 390.472 3.574 20 0 GHADHM O=C(CN(Cc1ccsc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737866030 598461728 /nfs/dbraw/zinc/46/17/28/598461728.db2.gz VFSCZTLRUZIWJG-UHFFFAOYSA-N -1 3 390.472 3.574 20 0 GHADHM C[C@@H](Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000736137669 598463055 /nfs/dbraw/zinc/46/30/55/598463055.db2.gz LSIQASMAQBQXJO-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@@H](Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000736137669 598463057 /nfs/dbraw/zinc/46/30/57/598463057.db2.gz LSIQASMAQBQXJO-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM CCc1nc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)cs1 ZINC000736703634 598468527 /nfs/dbraw/zinc/46/85/27/598468527.db2.gz FMTPKPQYMYNQJS-UHFFFAOYSA-N -1 3 390.476 3.607 20 0 GHADHM CCc1nc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)cs1 ZINC000736703634 598468528 /nfs/dbraw/zinc/46/85/28/598468528.db2.gz FMTPKPQYMYNQJS-UHFFFAOYSA-N -1 3 390.476 3.607 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000737293039 598476800 /nfs/dbraw/zinc/47/68/00/598476800.db2.gz YXMVRIHXCFJYSN-KRWDZBQOSA-N -1 3 376.464 3.977 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000737293039 598476801 /nfs/dbraw/zinc/47/68/01/598476801.db2.gz YXMVRIHXCFJYSN-KRWDZBQOSA-N -1 3 376.464 3.977 20 0 GHADHM O=C(Nc1ccc2ncsc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738177378 598477722 /nfs/dbraw/zinc/47/77/22/598477722.db2.gz JUENUOQLRSDLAE-UHFFFAOYSA-N -1 3 391.460 3.673 20 0 GHADHM O=C(Nc1ccc2ncsc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738177378 598477724 /nfs/dbraw/zinc/47/77/24/598477724.db2.gz JUENUOQLRSDLAE-UHFFFAOYSA-N -1 3 391.460 3.673 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737379367 598479851 /nfs/dbraw/zinc/47/98/51/598479851.db2.gz WDCAIPXPETXDEZ-FQEVSTJZSA-N -1 3 388.475 3.537 20 0 GHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737379367 598479852 /nfs/dbraw/zinc/47/98/52/598479852.db2.gz WDCAIPXPETXDEZ-FQEVSTJZSA-N -1 3 388.475 3.537 20 0 GHADHM CCOCCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736617739 598483680 /nfs/dbraw/zinc/48/36/80/598483680.db2.gz GLJJVUTWMQHBEW-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM CCOCCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736617739 598483682 /nfs/dbraw/zinc/48/36/82/598483682.db2.gz GLJJVUTWMQHBEW-UHFFFAOYSA-N -1 3 396.451 3.549 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000737288224 598485285 /nfs/dbraw/zinc/48/52/85/598485285.db2.gz MDHZCFZCIZIDIK-LLVKDONJSA-N -1 3 381.417 3.810 20 0 GHADHM Cc1ccc(-c2nc(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000737288224 598485287 /nfs/dbraw/zinc/48/52/87/598485287.db2.gz MDHZCFZCIZIDIK-LLVKDONJSA-N -1 3 381.417 3.810 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158800 598487576 /nfs/dbraw/zinc/48/75/76/598487576.db2.gz JMYBVBGIOWOMRY-CYBMUJFWSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158800 598487578 /nfs/dbraw/zinc/48/75/78/598487578.db2.gz JMYBVBGIOWOMRY-CYBMUJFWSA-N -1 3 391.456 3.837 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736156925 598491822 /nfs/dbraw/zinc/49/18/22/598491822.db2.gz GBEKNQCGVQCNMX-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM C[C@H](OC(=O)c1ccc(Br)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736156925 598491823 /nfs/dbraw/zinc/49/18/23/598491823.db2.gz GBEKNQCGVQCNMX-VIFPVBQESA-N -1 3 391.200 3.686 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000737962004 598495728 /nfs/dbraw/zinc/49/57/28/598495728.db2.gz MOLXNGNCQOKRMY-QHCPKHFHSA-N -1 3 395.466 3.584 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000737962004 598495730 /nfs/dbraw/zinc/49/57/30/598495730.db2.gz MOLXNGNCQOKRMY-QHCPKHFHSA-N -1 3 395.466 3.584 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736684644 598498064 /nfs/dbraw/zinc/49/80/64/598498064.db2.gz BYZMNIZKVLSPPR-NSHDSACASA-N -1 3 386.839 3.800 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736684644 598498066 /nfs/dbraw/zinc/49/80/66/598498066.db2.gz BYZMNIZKVLSPPR-NSHDSACASA-N -1 3 386.839 3.800 20 0 GHADHM CCc1c(C)sc(NC(=O)C=C(C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000736672209 598514140 /nfs/dbraw/zinc/51/41/40/598514140.db2.gz ZXDYWAORRUJDHP-ZHACJKMWSA-N -1 3 383.477 3.850 20 0 GHADHM CCc1c(C)sc(NC(=O)C=C(C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000736672209 598514141 /nfs/dbraw/zinc/51/41/41/598514141.db2.gz ZXDYWAORRUJDHP-ZHACJKMWSA-N -1 3 383.477 3.850 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(C(C)(C)C)s2)c1-c1nnn[n-]1 ZINC000736676395 598514152 /nfs/dbraw/zinc/51/41/52/598514152.db2.gz TZIHBRQPOWLKQL-UHFFFAOYSA-N -1 3 376.511 3.805 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cnc(C(C)(C)C)s2)c1-c1nn[n-]n1 ZINC000736676395 598514153 /nfs/dbraw/zinc/51/41/53/598514153.db2.gz TZIHBRQPOWLKQL-UHFFFAOYSA-N -1 3 376.511 3.805 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(CC(C)C)n2)c1-c1nnn[n-]1 ZINC000736678415 598516606 /nfs/dbraw/zinc/51/66/06/598516606.db2.gz CDZVVAJQQMNZLH-UHFFFAOYSA-N -1 3 376.511 3.706 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(CC(C)C)n2)c1-c1nn[n-]n1 ZINC000736678415 598516608 /nfs/dbraw/zinc/51/66/08/598516608.db2.gz CDZVVAJQQMNZLH-UHFFFAOYSA-N -1 3 376.511 3.706 20 0 GHADHM CCc1c(C)sc(NC(=O)Cn2c(C)cc3ccccc32)c1-c1nnn[n-]1 ZINC000736676333 598517445 /nfs/dbraw/zinc/51/74/45/598517445.db2.gz SAIORTCCWGPJMS-UHFFFAOYSA-N -1 3 380.477 3.701 20 0 GHADHM CCc1c(C)sc(NC(=O)Cn2c(C)cc3ccccc32)c1-c1nn[n-]n1 ZINC000736676333 598517446 /nfs/dbraw/zinc/51/74/46/598517446.db2.gz SAIORTCCWGPJMS-UHFFFAOYSA-N -1 3 380.477 3.701 20 0 GHADHM CCc1c(C)sc(NC(=O)CSCc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000736675225 598518687 /nfs/dbraw/zinc/51/86/87/598518687.db2.gz GYVQCDUYHGEBPU-UHFFFAOYSA-N -1 3 387.534 3.979 20 0 GHADHM CCc1c(C)sc(NC(=O)CSCc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000736675225 598518689 /nfs/dbraw/zinc/51/86/89/598518689.db2.gz GYVQCDUYHGEBPU-UHFFFAOYSA-N -1 3 387.534 3.979 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCOc1ccc2ccccc2c1 ZINC000737955288 598532214 /nfs/dbraw/zinc/53/22/14/598532214.db2.gz DMTIHOCJZDWYSS-UHFFFAOYSA-N -1 3 388.427 3.575 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCOc1ccc2ccccc2c1 ZINC000737955288 598532215 /nfs/dbraw/zinc/53/22/15/598532215.db2.gz DMTIHOCJZDWYSS-UHFFFAOYSA-N -1 3 388.427 3.575 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000735618970 598535604 /nfs/dbraw/zinc/53/56/04/598535604.db2.gz OOOLTYKSLYEBRQ-UHFFFAOYSA-N -1 3 376.420 3.849 20 0 GHADHM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000735618970 598535605 /nfs/dbraw/zinc/53/56/05/598535605.db2.gz OOOLTYKSLYEBRQ-UHFFFAOYSA-N -1 3 376.420 3.849 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736271386 598540158 /nfs/dbraw/zinc/54/01/58/598540158.db2.gz MTSXIBUSNFJWBD-GDBMZVCRSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736236535 598541675 /nfs/dbraw/zinc/54/16/75/598541675.db2.gz RYRSDYUETKLOME-ABAIWWIYSA-N -1 3 383.839 3.694 20 0 GHADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736236535 598541677 /nfs/dbraw/zinc/54/16/77/598541677.db2.gz RYRSDYUETKLOME-ABAIWWIYSA-N -1 3 383.839 3.694 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000736305956 598541682 /nfs/dbraw/zinc/54/16/82/598541682.db2.gz VVGZIHAOTPJGHL-BEHOXYOFSA-N -1 3 375.432 3.825 20 0 GHADHM CC=CC=CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736305956 598541684 /nfs/dbraw/zinc/54/16/84/598541684.db2.gz VVGZIHAOTPJGHL-BEHOXYOFSA-N -1 3 375.432 3.825 20 0 GHADHM O=C(CCc1ccco1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737859833 598544105 /nfs/dbraw/zinc/54/41/05/598544105.db2.gz ADXUKJVRQRQRKZ-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM O=C(CCc1ccco1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737859833 598544107 /nfs/dbraw/zinc/54/41/07/598544107.db2.gz ADXUKJVRQRQRKZ-UHFFFAOYSA-N -1 3 389.415 3.610 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735975595 598544819 /nfs/dbraw/zinc/54/48/19/598544819.db2.gz MYFGILHFELKZLT-JTQLQIEISA-N -1 3 391.353 3.740 20 0 GHADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000735975595 598544820 /nfs/dbraw/zinc/54/48/20/598544820.db2.gz MYFGILHFELKZLT-JTQLQIEISA-N -1 3 391.353 3.740 20 0 GHADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@H]2CCCc3ccccc32)n1 ZINC000736603462 598546116 /nfs/dbraw/zinc/54/61/16/598546116.db2.gz POPMHUBNUZWSKX-CQSZACIVSA-N -1 3 395.488 3.651 20 0 GHADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@H]2CCCc3ccccc32)n1 ZINC000736603462 598546117 /nfs/dbraw/zinc/54/61/17/598546117.db2.gz POPMHUBNUZWSKX-CQSZACIVSA-N -1 3 395.488 3.651 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737797250 598546817 /nfs/dbraw/zinc/54/68/17/598546817.db2.gz QRFWGZILUGJBJA-BAQGIRSFSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(C=Cc1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737797250 598546819 /nfs/dbraw/zinc/54/68/19/598546819.db2.gz QRFWGZILUGJBJA-BAQGIRSFSA-N -1 3 391.765 3.773 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CC1(Cl)Cl ZINC000738171170 598556172 /nfs/dbraw/zinc/55/61/72/598556172.db2.gz DMVFXTZCDZAKBG-CQSZACIVSA-N -1 3 390.230 3.791 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CC1(Cl)Cl ZINC000738171170 598556173 /nfs/dbraw/zinc/55/61/73/598556173.db2.gz DMVFXTZCDZAKBG-CQSZACIVSA-N -1 3 390.230 3.791 20 0 GHADHM COCc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000737018243 598556748 /nfs/dbraw/zinc/55/67/48/598556748.db2.gz VUCOCWWJDMPTHD-UHFFFAOYSA-N -1 3 391.387 3.651 20 0 GHADHM COCc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000737018243 598556749 /nfs/dbraw/zinc/55/67/49/598556749.db2.gz VUCOCWWJDMPTHD-UHFFFAOYSA-N -1 3 391.387 3.651 20 0 GHADHM CCn1cc(NC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000736723431 598562184 /nfs/dbraw/zinc/56/21/84/598562184.db2.gz UXEBZKZFKBCLHZ-UHFFFAOYSA-N -1 3 390.407 3.519 20 0 GHADHM CCn1cc(NC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000736723431 598562186 /nfs/dbraw/zinc/56/21/86/598562186.db2.gz UXEBZKZFKBCLHZ-UHFFFAOYSA-N -1 3 390.407 3.519 20 0 GHADHM O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737953715 598568436 /nfs/dbraw/zinc/56/84/36/598568436.db2.gz NLFQVBNWTHMTQT-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737953715 598568438 /nfs/dbraw/zinc/56/84/38/598568438.db2.gz NLFQVBNWTHMTQT-UHFFFAOYSA-N -1 3 396.863 3.681 20 0 GHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2csc(-c3ccccc3F)n2)n1 ZINC000737471142 598580978 /nfs/dbraw/zinc/58/09/78/598580978.db2.gz PFWRDVOALQIRNJ-UHFFFAOYSA-N -1 3 399.480 3.828 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000735906782 598582849 /nfs/dbraw/zinc/58/28/49/598582849.db2.gz WRASRIRBDNKIJI-CYBMUJFWSA-N -1 3 396.451 3.584 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000735906782 598582850 /nfs/dbraw/zinc/58/28/50/598582850.db2.gz WRASRIRBDNKIJI-CYBMUJFWSA-N -1 3 396.451 3.584 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735736313 598583247 /nfs/dbraw/zinc/58/32/47/598583247.db2.gz RVDKNQFDZZLYJP-QGZVFWFLSA-N -1 3 385.468 3.902 20 0 GHADHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735736313 598583248 /nfs/dbraw/zinc/58/32/48/598583248.db2.gz RVDKNQFDZZLYJP-QGZVFWFLSA-N -1 3 385.468 3.902 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737026979 598584207 /nfs/dbraw/zinc/58/42/07/598584207.db2.gz VNYKHBBFUAWSKD-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737026979 598584208 /nfs/dbraw/zinc/58/42/08/598584208.db2.gz VNYKHBBFUAWSKD-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM CSCc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737187725 598587717 /nfs/dbraw/zinc/58/77/17/598587717.db2.gz RZQNGUTVCDYYEX-SFHVURJKSA-N -1 3 397.504 3.772 20 0 GHADHM CSCc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737187725 598587718 /nfs/dbraw/zinc/58/77/18/598587718.db2.gz RZQNGUTVCDYYEX-SFHVURJKSA-N -1 3 397.504 3.772 20 0 GHADHM Cc1ccc2c(CNc3cc(-c4nnn[n-]4)ccc3OC(C)C)cc(=O)oc2c1 ZINC000737371678 598593989 /nfs/dbraw/zinc/59/39/89/598593989.db2.gz IFNCXXWWLZUOGT-UHFFFAOYSA-N -1 3 391.431 3.681 20 0 GHADHM Cc1ccc2c(CNc3cc(-c4nn[n-]n4)ccc3OC(C)C)cc(=O)oc2c1 ZINC000737371678 598593990 /nfs/dbraw/zinc/59/39/90/598593990.db2.gz IFNCXXWWLZUOGT-UHFFFAOYSA-N -1 3 391.431 3.681 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737815682 598594455 /nfs/dbraw/zinc/59/44/55/598594455.db2.gz ZYSVSSOCPISZTB-AWEZNQCLSA-N -1 3 393.422 3.880 20 0 GHADHM O=C(C[C@H]1C=CCC1)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737815682 598594457 /nfs/dbraw/zinc/59/44/57/598594457.db2.gz ZYSVSSOCPISZTB-AWEZNQCLSA-N -1 3 393.422 3.880 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCc1cccc(F)c1 ZINC000736479448 598597885 /nfs/dbraw/zinc/59/78/85/598597885.db2.gz HOFYIOMWYFWCAT-UHFFFAOYSA-N -1 3 396.470 3.560 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCc1cccc(F)c1 ZINC000736479448 598597887 /nfs/dbraw/zinc/59/78/87/598597887.db2.gz HOFYIOMWYFWCAT-UHFFFAOYSA-N -1 3 396.470 3.560 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000738165917 598599673 /nfs/dbraw/zinc/59/96/73/598599673.db2.gz GSHSWHJHUWHMTH-UHFFFAOYSA-N -1 3 376.395 3.618 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000738165917 598599674 /nfs/dbraw/zinc/59/96/74/598599674.db2.gz GSHSWHJHUWHMTH-UHFFFAOYSA-N -1 3 376.395 3.618 20 0 GHADHM O=C(CNc1ccc(F)c(-c2nnn[n-]2)c1)Nc1ccccc1-c1ccccc1 ZINC000737897611 598603481 /nfs/dbraw/zinc/60/34/81/598603481.db2.gz BLKXVTQAGYVYSI-UHFFFAOYSA-N -1 3 388.406 3.723 20 0 GHADHM O=C(CNc1ccc(F)c(-c2nn[n-]n2)c1)Nc1ccccc1-c1ccccc1 ZINC000737897611 598603482 /nfs/dbraw/zinc/60/34/82/598603482.db2.gz BLKXVTQAGYVYSI-UHFFFAOYSA-N -1 3 388.406 3.723 20 0 GHADHM CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735789009 598610736 /nfs/dbraw/zinc/61/07/36/598610736.db2.gz SBIOGFNTSGTKNJ-CQSZACIVSA-N -1 3 399.455 3.529 20 0 GHADHM CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735789009 598610737 /nfs/dbraw/zinc/61/07/37/598610737.db2.gz SBIOGFNTSGTKNJ-CQSZACIVSA-N -1 3 399.455 3.529 20 0 GHADHM Nc1cccc(-c2noc(-c3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)n2)c1 ZINC000737777587 598611629 /nfs/dbraw/zinc/61/16/29/598611629.db2.gz ZTQKZPYYCYXTOH-UHFFFAOYSA-N -1 3 397.398 3.958 20 0 GHADHM c1ccc(Cc2noc(-c3cccc(Oc4ccc(-c5nn[n-]n5)cc4)c3)n2)nc1 ZINC000738433227 598613290 /nfs/dbraw/zinc/61/32/90/598613290.db2.gz RYMHEVJTCIPCLG-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000738165302 598628483 /nfs/dbraw/zinc/62/84/83/598628483.db2.gz BNHWYTLDWCMCMB-CQSZACIVSA-N -1 3 388.403 3.504 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000738165302 598628484 /nfs/dbraw/zinc/62/84/84/598628484.db2.gz BNHWYTLDWCMCMB-CQSZACIVSA-N -1 3 388.403 3.504 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735915567 598628695 /nfs/dbraw/zinc/62/86/95/598628695.db2.gz PRNWZKORZAOEIV-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735915567 598628696 /nfs/dbraw/zinc/62/86/96/598628696.db2.gz PRNWZKORZAOEIV-LBPRGKRZSA-N -1 3 384.415 3.676 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737852070 598641798 /nfs/dbraw/zinc/64/17/98/598641798.db2.gz BITGCOIKNGKPCY-NRFANRHFSA-N -1 3 385.427 3.527 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737852070 598641800 /nfs/dbraw/zinc/64/18/00/598641800.db2.gz BITGCOIKNGKPCY-NRFANRHFSA-N -1 3 385.427 3.527 20 0 GHADHM CCc1nc([C@H](C)NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000736700819 598642902 /nfs/dbraw/zinc/64/29/02/598642902.db2.gz WUWYDPPYSVUDOY-QMMMGPOBSA-N -1 3 393.929 3.587 20 0 GHADHM CCc1nc([C@H](C)NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000736700819 598642903 /nfs/dbraw/zinc/64/29/03/598642903.db2.gz WUWYDPPYSVUDOY-QMMMGPOBSA-N -1 3 393.929 3.587 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736298508 598643266 /nfs/dbraw/zinc/64/32/66/598643266.db2.gz QRNGPLMRTSQTLM-CQSZACIVSA-N -1 3 398.426 3.645 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736298508 598643268 /nfs/dbraw/zinc/64/32/68/598643268.db2.gz QRNGPLMRTSQTLM-CQSZACIVSA-N -1 3 398.426 3.645 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735992501 598644479 /nfs/dbraw/zinc/64/44/79/598644479.db2.gz HTHWSZMOABCDTR-QGZVFWFLSA-N -1 3 393.491 3.553 20 0 GHADHM C[C@H](CCc1ccccc1)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735992501 598644481 /nfs/dbraw/zinc/64/44/81/598644481.db2.gz HTHWSZMOABCDTR-QGZVFWFLSA-N -1 3 393.491 3.553 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c(C)c1 ZINC000737364135 598646674 /nfs/dbraw/zinc/64/66/74/598646674.db2.gz IJQVUWYTJDKHKI-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM Cc1ccc(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c(C)c1 ZINC000737364135 598646676 /nfs/dbraw/zinc/64/66/76/598646676.db2.gz IJQVUWYTJDKHKI-UHFFFAOYSA-N -1 3 387.399 3.890 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H](c1cccs1)C1CC1 ZINC000737832706 598648363 /nfs/dbraw/zinc/64/83/63/598648363.db2.gz KJCAFWDBHOUEHB-IBGZPJMESA-N -1 3 397.504 3.745 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H](c1cccs1)C1CC1 ZINC000737832706 598648365 /nfs/dbraw/zinc/64/83/65/598648365.db2.gz KJCAFWDBHOUEHB-IBGZPJMESA-N -1 3 397.504 3.745 20 0 GHADHM O=C(NCCCC1CCCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738055281 598649127 /nfs/dbraw/zinc/64/91/27/598649127.db2.gz JONOFIIBTXGVBC-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM O=C(NCCCC1CCCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738055281 598649129 /nfs/dbraw/zinc/64/91/29/598649129.db2.gz JONOFIIBTXGVBC-UHFFFAOYSA-N -1 3 392.463 3.754 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736558513 598652187 /nfs/dbraw/zinc/65/21/87/598652187.db2.gz NGRRKTBRSOAWSU-UHFFFAOYSA-N -1 3 387.896 3.661 20 0 GHADHM CCN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736558513 598652189 /nfs/dbraw/zinc/65/21/89/598652189.db2.gz NGRRKTBRSOAWSU-UHFFFAOYSA-N -1 3 387.896 3.661 20 0 GHADHM CCOc1cc(C)ccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736624850 598652807 /nfs/dbraw/zinc/65/28/07/598652807.db2.gz IQRLKAOBVAEWAG-UHFFFAOYSA-N -1 3 395.463 3.762 20 0 GHADHM CCOc1cc(C)ccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736624850 598652809 /nfs/dbraw/zinc/65/28/09/598652809.db2.gz IQRLKAOBVAEWAG-UHFFFAOYSA-N -1 3 395.463 3.762 20 0 GHADHM CC1CCC(C)(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736236022 598655574 /nfs/dbraw/zinc/65/55/74/598655574.db2.gz FNFCHUIRMLIAAN-UHFFFAOYSA-N -1 3 392.463 3.753 20 0 GHADHM CC1CCC(C)(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736236022 598655576 /nfs/dbraw/zinc/65/55/76/598655576.db2.gz FNFCHUIRMLIAAN-UHFFFAOYSA-N -1 3 392.463 3.753 20 0 GHADHM O=C(Nc1cccc(F)c1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738182027 598657078 /nfs/dbraw/zinc/65/70/78/598657078.db2.gz DKGFNOXGDSFZST-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cccc(F)c1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738182027 598657079 /nfs/dbraw/zinc/65/70/79/598657079.db2.gz DKGFNOXGDSFZST-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000737941428 598657205 /nfs/dbraw/zinc/65/72/05/598657205.db2.gz AJIPTAYZRHEPHN-RBUKOAKNSA-N -1 3 393.516 3.801 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000737941428 598657206 /nfs/dbraw/zinc/65/72/06/598657206.db2.gz AJIPTAYZRHEPHN-RBUKOAKNSA-N -1 3 393.516 3.801 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000736671184 598657930 /nfs/dbraw/zinc/65/79/30/598657930.db2.gz TVRVAIFAEQQIJZ-NSHDSACASA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H](C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000736671184 598657932 /nfs/dbraw/zinc/65/79/32/598657932.db2.gz TVRVAIFAEQQIJZ-NSHDSACASA-N -1 3 385.493 3.940 20 0 GHADHM CCCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736439205 598661315 /nfs/dbraw/zinc/66/13/15/598661315.db2.gz SJZLCJAWXHKOME-IURSYISVSA-N -1 3 391.475 3.936 20 0 GHADHM CCCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736439205 598661317 /nfs/dbraw/zinc/66/13/17/598661317.db2.gz SJZLCJAWXHKOME-IURSYISVSA-N -1 3 391.475 3.936 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748944 598664592 /nfs/dbraw/zinc/66/45/92/598664592.db2.gz ZEFATZAKEHBUMI-WMZOPIPTSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735748944 598664594 /nfs/dbraw/zinc/66/45/94/598664594.db2.gz ZEFATZAKEHBUMI-WMZOPIPTSA-N -1 3 385.512 3.747 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1c1ccccc1Cl ZINC000737942664 598666636 /nfs/dbraw/zinc/66/66/36/598666636.db2.gz NKQPLDGBRRIVJI-KRWDZBQOSA-N -1 3 399.907 3.976 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1c1ccccc1Cl ZINC000737942664 598666638 /nfs/dbraw/zinc/66/66/38/598666638.db2.gz NKQPLDGBRRIVJI-KRWDZBQOSA-N -1 3 399.907 3.976 20 0 GHADHM Clc1ccc(NCc2cccc(COC3CCOCC3)c2)c(-c2nnn[n-]2)c1 ZINC000737572896 598682284 /nfs/dbraw/zinc/68/22/84/598682284.db2.gz BCFNYBGNDQCZRI-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1ccc(NCc2cccc(COC3CCOCC3)c2)c(-c2nn[n-]n2)c1 ZINC000737572896 598682286 /nfs/dbraw/zinc/68/22/86/598682286.db2.gz BCFNYBGNDQCZRI-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735795498 598685831 /nfs/dbraw/zinc/68/58/31/598685831.db2.gz MYUSPDKYNXLACY-QGZVFWFLSA-N -1 3 392.463 3.705 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735795498 598685833 /nfs/dbraw/zinc/68/58/33/598685833.db2.gz MYUSPDKYNXLACY-QGZVFWFLSA-N -1 3 392.463 3.705 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000737356044 598698034 /nfs/dbraw/zinc/69/80/34/598698034.db2.gz OINUKYIIGVPBTF-LLVKDONJSA-N -1 3 389.431 3.714 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000737356044 598698036 /nfs/dbraw/zinc/69/80/36/598698036.db2.gz OINUKYIIGVPBTF-LLVKDONJSA-N -1 3 389.431 3.714 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1F ZINC000736194171 598698100 /nfs/dbraw/zinc/69/81/00/598698100.db2.gz WYFNEAWCBNNNEY-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1F ZINC000736194171 598698101 /nfs/dbraw/zinc/69/81/01/598698101.db2.gz WYFNEAWCBNNNEY-SECBINFHSA-N -1 3 393.394 3.544 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c(Cl)cc1Cl ZINC000738232172 598706476 /nfs/dbraw/zinc/70/64/76/598706476.db2.gz QAYGLZONJAMLQY-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c(Cl)cc1Cl ZINC000738232172 598706478 /nfs/dbraw/zinc/70/64/78/598706478.db2.gz QAYGLZONJAMLQY-UHFFFAOYSA-N -1 3 385.157 3.809 20 0 GHADHM O=C(CCc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737857088 598709804 /nfs/dbraw/zinc/70/98/04/598709804.db2.gz LTGNDAHMKOBAFE-UHFFFAOYSA-N -1 3 376.391 3.835 20 0 GHADHM O=C(CCc1ccc2ccccc2c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737857088 598709806 /nfs/dbraw/zinc/70/98/06/598709806.db2.gz LTGNDAHMKOBAFE-UHFFFAOYSA-N -1 3 376.391 3.835 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737808782 598712732 /nfs/dbraw/zinc/71/27/32/598712732.db2.gz RHFGIVTVEMDENA-HNNXBMFYSA-N -1 3 376.338 3.646 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737808782 598712734 /nfs/dbraw/zinc/71/27/34/598712734.db2.gz RHFGIVTVEMDENA-HNNXBMFYSA-N -1 3 376.338 3.646 20 0 GHADHM COCCCCCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000736978123 598716352 /nfs/dbraw/zinc/71/63/52/598716352.db2.gz FDFHWWYXIIBLQQ-UHFFFAOYSA-N -1 3 385.493 3.919 20 0 GHADHM Cc1cc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)ccc1F ZINC000737238819 598735039 /nfs/dbraw/zinc/73/50/39/598735039.db2.gz UUQSCYIVEDEXJB-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM Cc1cc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)ccc1F ZINC000737238819 598735040 /nfs/dbraw/zinc/73/50/40/598735040.db2.gz UUQSCYIVEDEXJB-UHFFFAOYSA-N -1 3 394.435 3.614 20 0 GHADHM C[C@@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736056691 598735421 /nfs/dbraw/zinc/73/54/21/598735421.db2.gz CQWVZGIBGPPLTA-INIZCTEOSA-N -1 3 380.448 3.590 20 0 GHADHM C[C@@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736056691 598735422 /nfs/dbraw/zinc/73/54/22/598735422.db2.gz CQWVZGIBGPPLTA-INIZCTEOSA-N -1 3 380.448 3.590 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C(C)C)c21 ZINC000737409890 598736662 /nfs/dbraw/zinc/73/66/62/598736662.db2.gz UGNDFISWHVGJON-UHFFFAOYSA-N -1 3 388.475 3.636 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C(C)C)c21 ZINC000737409890 598736664 /nfs/dbraw/zinc/73/66/64/598736664.db2.gz UGNDFISWHVGJON-UHFFFAOYSA-N -1 3 388.475 3.636 20 0 GHADHM CCn1cc(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nnn[n-]2)cn1 ZINC000736722099 598741626 /nfs/dbraw/zinc/74/16/26/598741626.db2.gz NNNXNHVGJLQGIN-BQYQJAHWSA-N -1 3 390.838 3.708 20 0 GHADHM CCn1cc(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nn[n-]n2)cn1 ZINC000736722099 598741627 /nfs/dbraw/zinc/74/16/27/598741627.db2.gz NNNXNHVGJLQGIN-BQYQJAHWSA-N -1 3 390.838 3.708 20 0 GHADHM CCSc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736667413 598745754 /nfs/dbraw/zinc/74/57/54/598745754.db2.gz PMFLWDCQRZOVPX-ZIAGYGMSSA-N -1 3 397.504 3.623 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)N1CCCCCC1 ZINC000736164805 598754136 /nfs/dbraw/zinc/75/41/36/598754136.db2.gz PDLIVXMCSGGARB-MRXNPFEDSA-N -1 3 391.475 3.704 20 0 GHADHM C[C@@H](Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)N1CCCCCC1 ZINC000736164805 598754137 /nfs/dbraw/zinc/75/41/37/598754137.db2.gz PDLIVXMCSGGARB-MRXNPFEDSA-N -1 3 391.475 3.704 20 0 GHADHM COCCSc1ccc([C@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000737013806 598755408 /nfs/dbraw/zinc/75/54/08/598755408.db2.gz LOVODMFHUAXRNT-ZDUSSCGKSA-N -1 3 396.520 3.662 20 0 GHADHM COCCSc1ccc([C@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1 ZINC000737013806 598755410 /nfs/dbraw/zinc/75/54/10/598755410.db2.gz LOVODMFHUAXRNT-ZDUSSCGKSA-N -1 3 396.520 3.662 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000736187277 598762214 /nfs/dbraw/zinc/76/22/14/598762214.db2.gz HMLYCOVQWRSYJZ-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000736187277 598762215 /nfs/dbraw/zinc/76/22/15/598762215.db2.gz HMLYCOVQWRSYJZ-JTQLQIEISA-N -1 3 391.403 3.587 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737415405 598764900 /nfs/dbraw/zinc/76/49/00/598764900.db2.gz QNWYPYJZOYANPY-UZLBHIALSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737415403 598764966 /nfs/dbraw/zinc/76/49/66/598764966.db2.gz QNWYPYJZOYANPY-OXJNMPFZSA-N -1 3 393.491 3.798 20 0 GHADHM c1ccc2sc(CN3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000738442401 598767521 /nfs/dbraw/zinc/76/75/21/598767521.db2.gz NHZMPWBEGYVTKL-UHFFFAOYSA-N -1 3 392.488 3.520 20 0 GHADHM O=C(NC1CCCCCCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738024648 598771480 /nfs/dbraw/zinc/77/14/80/598771480.db2.gz LDOHWACETLKEOW-UHFFFAOYSA-N -1 3 398.511 3.532 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCc1cc(Br)ccc1Cl ZINC000737033533 598788935 /nfs/dbraw/zinc/78/89/35/598788935.db2.gz ZEKKASAZGUUQKD-UHFFFAOYSA-N -1 3 395.644 3.870 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCc1cc(Br)ccc1Cl ZINC000737033533 598788937 /nfs/dbraw/zinc/78/89/37/598788937.db2.gz ZEKKASAZGUUQKD-UHFFFAOYSA-N -1 3 395.644 3.870 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000735829325 598790335 /nfs/dbraw/zinc/79/03/35/598790335.db2.gz HUVSMNKTBLDEJC-HXUWFJFHSA-N -1 3 375.476 3.581 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000735829325 598790337 /nfs/dbraw/zinc/79/03/37/598790337.db2.gz HUVSMNKTBLDEJC-HXUWFJFHSA-N -1 3 375.476 3.581 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000738380930 598795356 /nfs/dbraw/zinc/79/53/56/598795356.db2.gz DOVRDIFOOPGVKN-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000738380930 598795357 /nfs/dbraw/zinc/79/53/57/598795357.db2.gz DOVRDIFOOPGVKN-CQSZACIVSA-N -1 3 383.761 3.684 20 0 GHADHM Cc1cccc(C)c1OCCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737390186 598798972 /nfs/dbraw/zinc/79/89/72/598798972.db2.gz RWOBPBJFRPZRPM-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM Cc1cccc(C)c1OCCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737390186 598798973 /nfs/dbraw/zinc/79/89/73/598798973.db2.gz RWOBPBJFRPZRPM-UHFFFAOYSA-N -1 3 397.504 3.624 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)n1 ZINC000735960349 598803527 /nfs/dbraw/zinc/80/35/27/598803527.db2.gz HNMGHMKSWYKZJH-UHFFFAOYSA-N -1 3 379.449 3.625 20 0 GHADHM CC(C)n1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)n1 ZINC000735960349 598803528 /nfs/dbraw/zinc/80/35/28/598803528.db2.gz HNMGHMKSWYKZJH-UHFFFAOYSA-N -1 3 379.449 3.625 20 0 GHADHM CCCc1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000736497114 598808642 /nfs/dbraw/zinc/80/86/42/598808642.db2.gz OIVWSUCKFHEJHM-UHFFFAOYSA-N -1 3 393.476 3.627 20 0 GHADHM CN(C(=O)CCCOc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733612 599305274 /nfs/dbraw/zinc/30/52/74/599305274.db2.gz WOOKNWXZWZXVFD-UHFFFAOYSA-N -1 3 387.443 3.842 20 0 GHADHM CN(C(=O)CCCOc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733612 599305277 /nfs/dbraw/zinc/30/52/77/599305277.db2.gz WOOKNWXZWZXVFD-UHFFFAOYSA-N -1 3 387.443 3.842 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1csc(Br)c1 ZINC000736635532 599327572 /nfs/dbraw/zinc/32/75/72/599327572.db2.gz WHQOBEIYKMODQJ-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1csc(Br)c1 ZINC000736635532 599327574 /nfs/dbraw/zinc/32/75/74/599327574.db2.gz WHQOBEIYKMODQJ-UHFFFAOYSA-N -1 3 380.271 3.702 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736188976 599330731 /nfs/dbraw/zinc/33/07/31/599330731.db2.gz NEIIRFGBBQDEOI-ILXRZTDVSA-N -1 3 381.505 3.927 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736188976 599330734 /nfs/dbraw/zinc/33/07/34/599330734.db2.gz NEIIRFGBBQDEOI-ILXRZTDVSA-N -1 3 381.505 3.927 20 0 GHADHM CCOc1ccccc1NC(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736655964 599332999 /nfs/dbraw/zinc/33/29/99/599332999.db2.gz YYQVIZKSYDSTSH-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM CCOc1ccccc1NC(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736655964 599333002 /nfs/dbraw/zinc/33/30/02/599333002.db2.gz YYQVIZKSYDSTSH-ZDUSSCGKSA-N -1 3 383.477 3.698 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737502936 599397406 /nfs/dbraw/zinc/39/74/06/599397406.db2.gz DHNMQUQKAIMCKS-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737502936 599397407 /nfs/dbraw/zinc/39/74/07/599397407.db2.gz DHNMQUQKAIMCKS-UHFFFAOYSA-N -1 3 396.458 3.830 20 0 GHADHM O=C(Nc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1)C1CCC1 ZINC000738183880 599404813 /nfs/dbraw/zinc/40/48/13/599404813.db2.gz OZXHVQIAHPYPGH-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM O=C(Nc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1)C1CCC1 ZINC000738183880 599404815 /nfs/dbraw/zinc/40/48/15/599404815.db2.gz OZXHVQIAHPYPGH-UHFFFAOYSA-N -1 3 382.855 3.871 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350464 599422364 /nfs/dbraw/zinc/42/23/64/599422364.db2.gz LDTUFBFQVAKSLI-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350464 599422366 /nfs/dbraw/zinc/42/23/66/599422366.db2.gz LDTUFBFQVAKSLI-MNOVXSKESA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)NCc1c(Cl)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820367405 599425211 /nfs/dbraw/zinc/42/52/11/599425211.db2.gz RSQNDHFVVIBHGF-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM C[C@H](NC(=O)NCc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820367405 599425214 /nfs/dbraw/zinc/42/52/14/599425214.db2.gz RSQNDHFVVIBHGF-JTQLQIEISA-N -1 3 391.262 3.734 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000735628423 599430461 /nfs/dbraw/zinc/43/04/61/599430461.db2.gz UAJCABYHUUECHZ-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000735628423 599430463 /nfs/dbraw/zinc/43/04/63/599430463.db2.gz UAJCABYHUUECHZ-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820358615 599433492 /nfs/dbraw/zinc/43/34/92/599433492.db2.gz OFPRCYXLNVSPBW-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM C[C@@H](NC(=O)NCC(C)(C)c1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820358615 599433494 /nfs/dbraw/zinc/43/34/94/599433494.db2.gz OFPRCYXLNVSPBW-CYBMUJFWSA-N -1 3 398.898 3.858 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000738384544 599434622 /nfs/dbraw/zinc/43/46/22/599434622.db2.gz SNFGBEQBFVHPQE-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000738384544 599434623 /nfs/dbraw/zinc/43/46/23/599434623.db2.gz SNFGBEQBFVHPQE-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM COc1ccccc1Oc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821904150 599434859 /nfs/dbraw/zinc/43/48/59/599434859.db2.gz RPVCOHJGAVZWSQ-UHFFFAOYSA-N -1 3 377.404 3.550 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(-c2ccc(C)cc2C)o1 ZINC000821752318 607379276 /nfs/dbraw/zinc/37/92/76/607379276.db2.gz JYKAZYKNYUFAST-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(-c2ccc(C)cc2C)o1 ZINC000821752318 607379277 /nfs/dbraw/zinc/37/92/77/607379277.db2.gz JYKAZYKNYUFAST-UHFFFAOYSA-N -1 3 394.460 3.834 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231655 599468453 /nfs/dbraw/zinc/46/84/53/599468453.db2.gz BWYIYUPXKJYGRD-CZUORRHYSA-N -1 3 397.479 3.503 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231655 599468455 /nfs/dbraw/zinc/46/84/55/599468455.db2.gz BWYIYUPXKJYGRD-CZUORRHYSA-N -1 3 397.479 3.503 20 0 GHADHM C[C@@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820356888 599475717 /nfs/dbraw/zinc/47/57/17/599475717.db2.gz BTJMTANPCCJXKL-XRTORIHISA-N -1 3 390.491 3.953 20 0 GHADHM C[C@@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820356888 599475719 /nfs/dbraw/zinc/47/57/19/599475719.db2.gz BTJMTANPCCJXKL-XRTORIHISA-N -1 3 390.491 3.953 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000822782986 599479003 /nfs/dbraw/zinc/47/90/03/599479003.db2.gz OTJVOOCLOVVEJU-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000822782986 599479005 /nfs/dbraw/zinc/47/90/05/599479005.db2.gz OTJVOOCLOVVEJU-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352117 599479021 /nfs/dbraw/zinc/47/90/21/599479021.db2.gz SFEKMACZRLPUTE-ACJLOTCBSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352117 599479023 /nfs/dbraw/zinc/47/90/23/599479023.db2.gz SFEKMACZRLPUTE-ACJLOTCBSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@H](NC(=O)NCCc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366939 599479148 /nfs/dbraw/zinc/47/91/48/599479148.db2.gz QEWMWPSTKFFMGX-HNNXBMFYSA-N -1 3 386.459 3.623 20 0 GHADHM C[C@H](NC(=O)NCCc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366939 599479150 /nfs/dbraw/zinc/47/91/50/599479150.db2.gz QEWMWPSTKFFMGX-HNNXBMFYSA-N -1 3 386.459 3.623 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820920376 599479766 /nfs/dbraw/zinc/47/97/66/599479766.db2.gz PJKXONLCXCTVLG-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820920376 599479768 /nfs/dbraw/zinc/47/97/68/599479768.db2.gz PJKXONLCXCTVLG-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM CCO[C@H](C)c1nc(CSCCOc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736619776 599480621 /nfs/dbraw/zinc/48/06/21/599480621.db2.gz ZNEOWGDLOIROTC-GFCCVEGCSA-N -1 3 391.522 3.733 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)CCO1 ZINC000822585911 599527186 /nfs/dbraw/zinc/52/71/86/599527186.db2.gz OJJXGVHFNAOGTG-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)CCO1 ZINC000822585911 599527187 /nfs/dbraw/zinc/52/71/87/599527187.db2.gz OJJXGVHFNAOGTG-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2ccccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403456 599533976 /nfs/dbraw/zinc/53/39/76/599533976.db2.gz KIUYWSCDHLUQAV-NSHDSACASA-N -1 3 394.435 3.620 20 0 GHADHM C[C@H](NC(=O)c1csc(-c2ccccc2F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403456 599533979 /nfs/dbraw/zinc/53/39/79/599533979.db2.gz KIUYWSCDHLUQAV-NSHDSACASA-N -1 3 394.435 3.620 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)Cc1ccccc1F ZINC000736059701 599542169 /nfs/dbraw/zinc/54/21/69/599542169.db2.gz VRPCBFDRTPNWNB-OAHLLOKOSA-N -1 3 381.455 3.622 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)Cc1ccccc1F ZINC000736059701 599542170 /nfs/dbraw/zinc/54/21/70/599542170.db2.gz VRPCBFDRTPNWNB-OAHLLOKOSA-N -1 3 381.455 3.622 20 0 GHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736331949 599547823 /nfs/dbraw/zinc/54/78/23/599547823.db2.gz RAXBHCJMGVVSAE-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736331949 599547824 /nfs/dbraw/zinc/54/78/24/599547824.db2.gz RAXBHCJMGVVSAE-QFBILLFUSA-N -1 3 385.512 3.843 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000819976213 599553893 /nfs/dbraw/zinc/55/38/93/599553893.db2.gz QRBZUBPCCMLNNS-OAHLLOKOSA-N -1 3 383.431 3.541 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000819976213 599553896 /nfs/dbraw/zinc/55/38/96/599553896.db2.gz QRBZUBPCCMLNNS-OAHLLOKOSA-N -1 3 383.431 3.541 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820684206 599557811 /nfs/dbraw/zinc/55/78/11/599557811.db2.gz NFMUUAFXYRMLSP-OLZOCXBDSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820684206 599557814 /nfs/dbraw/zinc/55/78/14/599557814.db2.gz NFMUUAFXYRMLSP-OLZOCXBDSA-N -1 3 397.508 3.566 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737327753 599558333 /nfs/dbraw/zinc/55/83/33/599558333.db2.gz AFLGGOJFSZDMBQ-IIBYNOLFSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737327753 599558336 /nfs/dbraw/zinc/55/83/36/599558336.db2.gz AFLGGOJFSZDMBQ-IIBYNOLFSA-N -1 3 391.475 3.554 20 0 GHADHM O=C(Nc1cnc(C2CC2)nc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738197639 599568024 /nfs/dbraw/zinc/56/80/24/599568024.db2.gz MPHQUONSFQOOPO-UHFFFAOYSA-N -1 3 398.430 3.530 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738277348 599574712 /nfs/dbraw/zinc/57/47/12/599574712.db2.gz CAKXCAXNPRNKDL-CXAGYDPISA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1C[C@H]2CCC[C@H]21 ZINC000738277348 599574714 /nfs/dbraw/zinc/57/47/14/599574714.db2.gz CAKXCAXNPRNKDL-CXAGYDPISA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000738277350 599574875 /nfs/dbraw/zinc/57/48/75/599574875.db2.gz CAKXCAXNPRNKDL-DYVFJYSZSA-N -1 3 395.850 3.937 20 0 GHADHM O=C(c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000738277350 599574877 /nfs/dbraw/zinc/57/48/77/599574877.db2.gz CAKXCAXNPRNKDL-DYVFJYSZSA-N -1 3 395.850 3.937 20 0 GHADHM Clc1ccccc1N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822586423 599579900 /nfs/dbraw/zinc/57/99/00/599579900.db2.gz YDRUXSOWEAQYPE-LBPRGKRZSA-N -1 3 390.278 3.649 20 0 GHADHM Clc1ccccc1N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822586423 599579902 /nfs/dbraw/zinc/57/99/02/599579902.db2.gz YDRUXSOWEAQYPE-LBPRGKRZSA-N -1 3 390.278 3.649 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCCC[C@H]1c1ccc(C)o1 ZINC000737062636 599611060 /nfs/dbraw/zinc/61/10/60/599611060.db2.gz LBCATCPYSJGFGE-INIZCTEOSA-N -1 3 396.451 3.926 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCCC[C@H]1c1ccc(C)o1 ZINC000737062636 599611061 /nfs/dbraw/zinc/61/10/61/599611061.db2.gz LBCATCPYSJGFGE-INIZCTEOSA-N -1 3 396.451 3.926 20 0 GHADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000819884795 599622742 /nfs/dbraw/zinc/62/27/42/599622742.db2.gz ZZXYMTNXHKFTSQ-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000819884795 599622743 /nfs/dbraw/zinc/62/27/43/599622743.db2.gz ZZXYMTNXHKFTSQ-VIFPVBQESA-N -1 3 393.266 3.538 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ncoc1-c1ccccc1Cl ZINC000823417436 599623410 /nfs/dbraw/zinc/62/34/10/599623410.db2.gz AMSOIPDDSCSRAG-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ncoc1-c1ccccc1Cl ZINC000823417436 599623411 /nfs/dbraw/zinc/62/34/11/599623411.db2.gz AMSOIPDDSCSRAG-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000819765304 599629203 /nfs/dbraw/zinc/62/92/03/599629203.db2.gz NNOJHJHVIMUGQI-CLFYSBASSA-N -1 3 379.367 3.989 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000819765304 599629204 /nfs/dbraw/zinc/62/92/04/599629204.db2.gz NNOJHJHVIMUGQI-CLFYSBASSA-N -1 3 379.367 3.989 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(Br)c1 ZINC000823308958 599629946 /nfs/dbraw/zinc/62/99/46/599629946.db2.gz NTOZBODYIXBBBK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(Br)c1 ZINC000823308958 599629947 /nfs/dbraw/zinc/62/99/47/599629947.db2.gz NTOZBODYIXBBBK-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(CCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822978780 599632565 /nfs/dbraw/zinc/63/25/65/599632565.db2.gz QUQDMIGEXSNTFN-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(CCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822978780 599632566 /nfs/dbraw/zinc/63/25/66/599632566.db2.gz QUQDMIGEXSNTFN-UHFFFAOYSA-N -1 3 379.317 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1Cc2ccccc2S1 ZINC000823303587 599633264 /nfs/dbraw/zinc/63/32/64/599633264.db2.gz NQKNGKUEYLCLDQ-CQSZACIVSA-N -1 3 391.378 3.541 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1Cc2ccccc2S1 ZINC000823303587 599633265 /nfs/dbraw/zinc/63/32/65/599633265.db2.gz NQKNGKUEYLCLDQ-CQSZACIVSA-N -1 3 391.378 3.541 20 0 GHADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822929133 599633955 /nfs/dbraw/zinc/63/39/55/599633955.db2.gz QCFCSQDQMMFNBW-QPJJXVBHSA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822929133 599633956 /nfs/dbraw/zinc/63/39/56/599633956.db2.gz QCFCSQDQMMFNBW-QPJJXVBHSA-N -1 3 377.301 3.677 20 0 GHADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820300679 599634227 /nfs/dbraw/zinc/63/42/27/599634227.db2.gz TYVSCMCQDBTBQJ-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820300679 599634228 /nfs/dbraw/zinc/63/42/28/599634228.db2.gz TYVSCMCQDBTBQJ-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391118 599634292 /nfs/dbraw/zinc/63/42/92/599634292.db2.gz NIPJUVUVVOKUCU-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM C[C@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391118 599634293 /nfs/dbraw/zinc/63/42/93/599634293.db2.gz NIPJUVUVVOKUCU-NSHDSACASA-N -1 3 378.823 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccncc1Cl ZINC000823350210 599649170 /nfs/dbraw/zinc/64/91/70/599649170.db2.gz DMAUWFGOCFTIOU-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccncc1Cl ZINC000823368426 599650033 /nfs/dbraw/zinc/65/00/33/599650033.db2.gz XMXQFUBKPVYCCM-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820076530 599657332 /nfs/dbraw/zinc/65/73/32/599657332.db2.gz KYHMCMRFLLWKEW-OAHLLOKOSA-N -1 3 395.463 3.698 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820076530 599657333 /nfs/dbraw/zinc/65/73/33/599657333.db2.gz KYHMCMRFLLWKEW-OAHLLOKOSA-N -1 3 395.463 3.698 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822233785 599670744 /nfs/dbraw/zinc/67/07/44/599670744.db2.gz VBFBMHGWQWUMPM-RHSMWYFYSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233785 599670745 /nfs/dbraw/zinc/67/07/45/599670745.db2.gz VBFBMHGWQWUMPM-RHSMWYFYSA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822355947 599674480 /nfs/dbraw/zinc/67/44/80/599674480.db2.gz CSBRXUCCERTQBN-OAHLLOKOSA-N -1 3 378.480 3.557 20 0 GHADHM Cc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822355947 599674481 /nfs/dbraw/zinc/67/44/81/599674481.db2.gz CSBRXUCCERTQBN-OAHLLOKOSA-N -1 3 378.480 3.557 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCCC[C@H]1c1ccccc1 ZINC000823235540 599679111 /nfs/dbraw/zinc/67/91/11/599679111.db2.gz WTGXHCYKTSNHEH-IBGZPJMESA-N -1 3 394.454 3.833 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCCC[C@H]1c1ccccc1 ZINC000823235540 599679112 /nfs/dbraw/zinc/67/91/12/599679112.db2.gz WTGXHCYKTSNHEH-IBGZPJMESA-N -1 3 394.454 3.833 20 0 GHADHM CCc1[nH]c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737239770 599742288 /nfs/dbraw/zinc/74/22/88/599742288.db2.gz DVNMDPAKMWCTRP-GOSISDBHSA-N -1 3 383.492 3.541 20 0 GHADHM Cc1cncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822399875 607391207 /nfs/dbraw/zinc/39/12/07/607391207.db2.gz OLHRQFCZQMQURE-FUQNDXKWSA-N -1 3 383.411 3.856 20 0 GHADHM Cc1cncc(C=CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822399875 607391209 /nfs/dbraw/zinc/39/12/09/607391209.db2.gz OLHRQFCZQMQURE-FUQNDXKWSA-N -1 3 383.411 3.856 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821882821 607397962 /nfs/dbraw/zinc/39/79/62/607397962.db2.gz LNSNHMMSUMZHIG-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821882821 607397964 /nfs/dbraw/zinc/39/79/64/607397964.db2.gz LNSNHMMSUMZHIG-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000826253342 607406236 /nfs/dbraw/zinc/40/62/36/607406236.db2.gz MTNMQSIWOVNEGW-HJWRWDBZSA-N -1 3 377.429 3.541 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000826253342 607406237 /nfs/dbraw/zinc/40/62/37/607406237.db2.gz MTNMQSIWOVNEGW-HJWRWDBZSA-N -1 3 377.429 3.541 20 0 GHADHM O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000739659230 599951989 /nfs/dbraw/zinc/95/19/89/599951989.db2.gz LGXANVITZXTNIW-CTNGQTDRSA-N -1 3 398.478 3.760 20 0 GHADHM CSc1ccc(Cl)c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826230907 607420704 /nfs/dbraw/zinc/42/07/04/607420704.db2.gz OKHXWCGEACKIAC-UHFFFAOYSA-N -1 3 385.880 3.661 20 0 GHADHM CSc1ccc(Cl)c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826230907 607420705 /nfs/dbraw/zinc/42/07/05/607420705.db2.gz OKHXWCGEACKIAC-UHFFFAOYSA-N -1 3 385.880 3.661 20 0 GHADHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000736465455 600221424 /nfs/dbraw/zinc/22/14/24/600221424.db2.gz GIJWOCMBYUFMDY-OAQYLSRUSA-N -1 3 388.895 3.731 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1-c1nnn[n-]1 ZINC000820164815 607430632 /nfs/dbraw/zinc/43/06/32/607430632.db2.gz LWPXWJOFJRMOQX-HNNXBMFYSA-N -1 3 382.424 3.616 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000820164815 607430633 /nfs/dbraw/zinc/43/06/33/607430633.db2.gz LWPXWJOFJRMOQX-HNNXBMFYSA-N -1 3 382.424 3.616 20 0 GHADHM Cc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C2CCCCC2)nc1 ZINC000826289883 607431905 /nfs/dbraw/zinc/43/19/05/607431905.db2.gz QKHMCZSFVVIHQE-UHFFFAOYSA-N -1 3 376.464 3.858 20 0 GHADHM Cc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C2CCCCC2)nc1 ZINC000826289883 607431906 /nfs/dbraw/zinc/43/19/06/607431906.db2.gz QKHMCZSFVVIHQE-UHFFFAOYSA-N -1 3 376.464 3.858 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000826244611 607432303 /nfs/dbraw/zinc/43/23/03/607432303.db2.gz YQQKRZIHFZJMPD-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000826244611 607432305 /nfs/dbraw/zinc/43/23/05/607432305.db2.gz YQQKRZIHFZJMPD-UHFFFAOYSA-N -1 3 393.344 3.519 20 0 GHADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1Oc1ccncc1 ZINC000826281457 607434404 /nfs/dbraw/zinc/43/44/04/607434404.db2.gz SRTHJDOJMZPNKD-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1Oc1ccncc1 ZINC000826281457 607434405 /nfs/dbraw/zinc/43/44/05/607434405.db2.gz SRTHJDOJMZPNKD-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)o1 ZINC000740123820 600287238 /nfs/dbraw/zinc/28/72/38/600287238.db2.gz NGYNXDNXIGFDGK-UHFFFAOYSA-N -1 3 380.803 3.621 20 0 GHADHM C[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390417447 600287498 /nfs/dbraw/zinc/28/74/98/600287498.db2.gz IAMXYPRBHUHCFA-CYBMUJFWSA-N -1 3 375.856 3.680 20 0 GHADHM Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738709181 600342514 /nfs/dbraw/zinc/34/25/14/600342514.db2.gz SACJBELERYKWTI-UHFFFAOYSA-N -1 3 398.507 3.701 20 0 GHADHM CN(C(=O)c1cccc(OCc2cccs2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830832 607439079 /nfs/dbraw/zinc/43/90/79/607439079.db2.gz ZJFWXPZBTRDHAT-UHFFFAOYSA-N -1 3 391.456 3.784 20 0 GHADHM CN(C(=O)c1cccc(OCc2cccs2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830832 607439080 /nfs/dbraw/zinc/43/90/80/607439080.db2.gz ZJFWXPZBTRDHAT-UHFFFAOYSA-N -1 3 391.456 3.784 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812627 607439980 /nfs/dbraw/zinc/43/99/80/607439980.db2.gz OZPBIBBPZXCXKH-CVEARBPZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812627 607439981 /nfs/dbraw/zinc/43/99/81/607439981.db2.gz OZPBIBBPZXCXKH-CVEARBPZSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834451 607442949 /nfs/dbraw/zinc/44/29/49/607442949.db2.gz VLGYFPFIGXSTSQ-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834451 607442950 /nfs/dbraw/zinc/44/29/50/607442950.db2.gz VLGYFPFIGXSTSQ-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CCC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000825242285 607447078 /nfs/dbraw/zinc/44/70/78/607447078.db2.gz NGFCFZZPJURXTI-SFHVURJKSA-N -1 3 376.464 3.696 20 0 GHADHM CCC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000825242285 607447079 /nfs/dbraw/zinc/44/70/79/607447079.db2.gz NGFCFZZPJURXTI-SFHVURJKSA-N -1 3 376.464 3.696 20 0 GHADHM O=C([O-])c1sc(NCC2(N3CCSCC3)CCCCC2)nc1Cl ZINC000740280634 600461642 /nfs/dbraw/zinc/46/16/42/600461642.db2.gz YEFLPCPBWOZXKY-UHFFFAOYSA-N -1 3 375.947 3.658 20 0 GHADHM CC(C)[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(F)cc1 ZINC000824192687 607446088 /nfs/dbraw/zinc/44/60/88/607446088.db2.gz LFGCSLBRWKOIAA-GOSISDBHSA-N -1 3 394.454 3.691 20 0 GHADHM CC(C)[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(F)cc1 ZINC000824192687 607446089 /nfs/dbraw/zinc/44/60/89/607446089.db2.gz LFGCSLBRWKOIAA-GOSISDBHSA-N -1 3 394.454 3.691 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826429895 607448830 /nfs/dbraw/zinc/44/88/30/607448830.db2.gz PHIGTIFXYNQUBZ-HDMKZQKVSA-N -1 3 380.496 3.514 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826429895 607448832 /nfs/dbraw/zinc/44/88/32/607448832.db2.gz PHIGTIFXYNQUBZ-HDMKZQKVSA-N -1 3 380.496 3.514 20 0 GHADHM Cc1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC000738561770 600513932 /nfs/dbraw/zinc/51/39/32/600513932.db2.gz QYXIQEPBXJZFOG-KRWDZBQOSA-N -1 3 375.856 3.771 20 0 GHADHM O=C(NCc1csc2ccccc12)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826443550 607452415 /nfs/dbraw/zinc/45/24/15/607452415.db2.gz UYBKSYVKXBCYJE-UHFFFAOYSA-N -1 3 390.472 3.570 20 0 GHADHM O=C(NCc1csc2ccccc12)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826443550 607452416 /nfs/dbraw/zinc/45/24/16/607452416.db2.gz UYBKSYVKXBCYJE-UHFFFAOYSA-N -1 3 390.472 3.570 20 0 GHADHM CC(C)[C@@H](CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000824191882 607453005 /nfs/dbraw/zinc/45/30/05/607453005.db2.gz HPBSUOPETYZLIG-LJQANCHMSA-N -1 3 390.491 3.595 20 0 GHADHM CC(C)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000824191882 607453007 /nfs/dbraw/zinc/45/30/07/607453007.db2.gz HPBSUOPETYZLIG-LJQANCHMSA-N -1 3 390.491 3.595 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826283175 607453954 /nfs/dbraw/zinc/45/39/54/607453954.db2.gz MFOWPFNCNHOZNQ-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826283175 607453956 /nfs/dbraw/zinc/45/39/56/607453956.db2.gz MFOWPFNCNHOZNQ-OAHLLOKOSA-N -1 3 376.464 3.533 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736814241 600746573 /nfs/dbraw/zinc/74/65/73/600746573.db2.gz JDHYTNLMXTZTTH-SFHVURJKSA-N -1 3 395.503 3.832 20 0 GHADHM O=C([O-])[C@H](N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1F ZINC000833166259 600747224 /nfs/dbraw/zinc/74/72/24/600747224.db2.gz FGAQPQOGSLORIU-CXAGYDPISA-N -1 3 393.256 3.582 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(Oc2cccnc2)c(F)c1 ZINC000822743908 607477723 /nfs/dbraw/zinc/47/77/23/607477723.db2.gz ILIQMZHOWJGLGG-UHFFFAOYSA-N -1 3 394.385 3.622 20 0 GHADHM COc1cccc(OC)c1OC1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000516576285 600988085 /nfs/dbraw/zinc/98/80/85/600988085.db2.gz NPGWBRNDPQOEKD-IBGZPJMESA-N -1 3 389.423 3.512 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828278076 601026548 /nfs/dbraw/zinc/02/65/48/601026548.db2.gz OKYJSNSUXDXFDY-OAHLLOKOSA-N -1 3 385.439 3.652 20 0 GHADHM Cc1cc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000832894772 601040431 /nfs/dbraw/zinc/04/04/31/601040431.db2.gz NYJZEDJCPDRDKY-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000827485960 601096157 /nfs/dbraw/zinc/09/61/57/601096157.db2.gz FAVGMBZCFWEKGG-MRXNPFEDSA-N -1 3 383.492 3.691 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2nc(C)ccc2c1 ZINC000821104430 607498559 /nfs/dbraw/zinc/49/85/59/607498559.db2.gz CQDDSARVFONFBZ-UHFFFAOYSA-N -1 3 386.459 3.776 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2nc(C)ccc2c1 ZINC000821104430 607498561 /nfs/dbraw/zinc/49/85/61/607498561.db2.gz CQDDSARVFONFBZ-UHFFFAOYSA-N -1 3 386.459 3.776 20 0 GHADHM CCN(C(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000829597348 601652597 /nfs/dbraw/zinc/65/25/97/601652597.db2.gz MGPJRNHEDAUGPW-MRUHUIDDSA-N -1 3 386.467 3.787 20 0 GHADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000826044415 601656523 /nfs/dbraw/zinc/65/65/23/601656523.db2.gz GLWMZUXSKRMFRG-AVYPCKFXSA-N -1 3 388.895 3.911 20 0 GHADHM CCc1ncsc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825754513 607528413 /nfs/dbraw/zinc/52/84/13/607528413.db2.gz ATBHRLALHYGDQL-UHFFFAOYSA-N -1 3 377.429 3.772 20 0 GHADHM CCc1ncsc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825754513 607528416 /nfs/dbraw/zinc/52/84/16/607528416.db2.gz ATBHRLALHYGDQL-UHFFFAOYSA-N -1 3 377.429 3.772 20 0 GHADHM O=C([O-])c1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c[nH]1 ZINC000833297077 601832022 /nfs/dbraw/zinc/83/20/22/601832022.db2.gz DBRKELFQVIGEGS-UHFFFAOYSA-N -1 3 390.418 3.995 20 0 GHADHM Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)cc1 ZINC000832944463 601951209 /nfs/dbraw/zinc/95/12/09/601951209.db2.gz FMVZYEIGDJFGSB-HNNXBMFYSA-N -1 3 387.505 3.788 20 0 GHADHM COc1cc(C(C)=O)ccc1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826177563 607539262 /nfs/dbraw/zinc/53/92/62/607539262.db2.gz MYRSQBJVFSKYRQ-UHFFFAOYSA-N -1 3 384.461 3.639 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000826208208 607539395 /nfs/dbraw/zinc/53/93/95/607539395.db2.gz YJOKCHVQYZLJNG-UHFFFAOYSA-N -1 3 382.474 3.686 20 0 GHADHM COc1ccc(CSc2nnc(-c3ccccc3)s2)cc1-c1nn[n-]n1 ZINC000826208208 607539396 /nfs/dbraw/zinc/53/93/96/607539396.db2.gz YJOKCHVQYZLJNG-UHFFFAOYSA-N -1 3 382.474 3.686 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828177119 602041862 /nfs/dbraw/zinc/04/18/62/602041862.db2.gz NKBPIMAGDUEBTD-OXJNMPFZSA-N -1 3 396.491 3.581 20 0 GHADHM Cc1ccc([C@H](Cn2ccnc2)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826283982 607541552 /nfs/dbraw/zinc/54/15/52/607541552.db2.gz GSWNDQKQFKXZBU-SFHVURJKSA-N -1 3 395.417 3.812 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])c1 ZINC000832057928 602170028 /nfs/dbraw/zinc/17/00/28/602170028.db2.gz SVWFNFJFFUUCFA-NRFANRHFSA-N -1 3 385.460 3.941 20 0 GHADHM COc1ccc(CNc2c(F)cc(Br)cc2F)cc1-c1nnn[n-]1 ZINC000826203623 607551517 /nfs/dbraw/zinc/55/15/17/607551517.db2.gz XZLMIXFIYWBAPL-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1ccc(CNc2c(F)cc(Br)cc2F)cc1-c1nn[n-]n1 ZINC000826203623 607551519 /nfs/dbraw/zinc/55/15/19/607551519.db2.gz XZLMIXFIYWBAPL-UHFFFAOYSA-N -1 3 396.195 3.528 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826173983 607576202 /nfs/dbraw/zinc/57/62/02/607576202.db2.gz DBEIIGMTVGVOPH-UHFFFAOYSA-N -1 3 398.728 3.767 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826173983 607576204 /nfs/dbraw/zinc/57/62/04/607576204.db2.gz DBEIIGMTVGVOPH-UHFFFAOYSA-N -1 3 398.728 3.767 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739610725 603068981 /nfs/dbraw/zinc/06/89/81/603068981.db2.gz XWVAVGIOBNXZFL-UHFFFAOYSA-N -1 3 381.432 3.857 20 0 GHADHM C[C@H](c1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645410 603636733 /nfs/dbraw/zinc/63/67/33/603636733.db2.gz OCCJPZRKKRIIOZ-KBXCAEBGSA-N -1 3 380.448 3.911 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)nc1-c1ccc(F)cc1 ZINC000826250647 607669252 /nfs/dbraw/zinc/66/92/52/607669252.db2.gz KTJHTHDJBZOWJQ-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)nc1-c1ccc(F)cc1 ZINC000826250647 607669253 /nfs/dbraw/zinc/66/92/53/607669253.db2.gz KTJHTHDJBZOWJQ-UHFFFAOYSA-N -1 3 394.435 3.998 20 0 GHADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000827717764 604290709 /nfs/dbraw/zinc/29/07/09/604290709.db2.gz LRZGWDCDSPSDDQ-ZJUUUORDSA-N -1 3 380.338 3.682 20 0 GHADHM C[C@@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1F ZINC000824385626 607721564 /nfs/dbraw/zinc/72/15/64/607721564.db2.gz XXXRSVBIFUYKOG-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1F ZINC000824385626 607721566 /nfs/dbraw/zinc/72/15/66/607721566.db2.gz XXXRSVBIFUYKOG-JTQLQIEISA-N -1 3 376.338 3.521 20 0 GHADHM CC1(C)CCC(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824797179 607726718 /nfs/dbraw/zinc/72/67/18/607726718.db2.gz WUYXBOOIJJGXOC-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM CC1(C)CCC(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824797179 607726720 /nfs/dbraw/zinc/72/67/20/607726720.db2.gz WUYXBOOIJJGXOC-UHFFFAOYSA-N -1 3 397.523 3.843 20 0 GHADHM COc1ccc(C[C@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccc(OC)cc2)cc1 ZINC000832287283 604987532 /nfs/dbraw/zinc/98/75/32/604987532.db2.gz LVKBKOSLWNAGQB-FCHUYYIVSA-N -1 3 392.455 3.798 20 0 GHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824393592 607733195 /nfs/dbraw/zinc/73/31/95/607733195.db2.gz TXTKEIUSPRDUOC-NOZJJQNGSA-N -1 3 383.399 3.871 20 0 GHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000825503364 605118593 /nfs/dbraw/zinc/11/85/93/605118593.db2.gz RNLDYLQPMKBOQQ-HUUCEWRRSA-N -1 3 383.448 3.823 20 0 GHADHM CC(C)N(Cc1ccc(C(=O)[O-])o1)C[C@H](O)COc1cccc2ccccc21 ZINC000833497063 605154595 /nfs/dbraw/zinc/15/45/95/605154595.db2.gz XPCYLCFFWVYEJN-KRWDZBQOSA-N -1 3 383.444 3.781 20 0 GHADHM CCN(C[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1)CC(F)(F)F ZINC000833654183 605377309 /nfs/dbraw/zinc/37/73/09/605377309.db2.gz FSAACQDBQXPVQC-NHYWBVRUSA-N -1 3 396.812 3.811 20 0 GHADHM O=C([O-])N1CCc2cccc(CN3CCC(C(=O)Nc4ccccc4)CC3)c21 ZINC000834055873 605463980 /nfs/dbraw/zinc/46/39/80/605463980.db2.gz GAIVKEIDQQUWOR-UHFFFAOYSA-N -1 3 379.460 3.578 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128228 607761900 /nfs/dbraw/zinc/76/19/00/607761900.db2.gz RYMAOQRYLMQXIY-YOEHRIQHSA-N -1 3 396.520 3.798 20 0 GHADHM CC[C@@H](CSc1ccccc1)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128228 607761901 /nfs/dbraw/zinc/76/19/01/607761901.db2.gz RYMAOQRYLMQXIY-YOEHRIQHSA-N -1 3 396.520 3.798 20 0 GHADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000824135366 607764738 /nfs/dbraw/zinc/76/47/38/607764738.db2.gz DUYSOXNPACONNB-UHFFFAOYSA-N -1 3 398.898 3.878 20 0 GHADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000824135366 607764739 /nfs/dbraw/zinc/76/47/39/607764739.db2.gz DUYSOXNPACONNB-UHFFFAOYSA-N -1 3 398.898 3.878 20 0 GHADHM CCOc1cc(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000833862059 605598683 /nfs/dbraw/zinc/59/86/83/605598683.db2.gz QUYJBARBVHJZEV-JSGCOSHPSA-N -1 3 390.402 3.504 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000824329083 607765310 /nfs/dbraw/zinc/76/53/10/607765310.db2.gz HVBROMMMNHGHST-QGZVFWFLSA-N -1 3 396.426 3.772 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000824329083 607765311 /nfs/dbraw/zinc/76/53/11/607765311.db2.gz HVBROMMMNHGHST-QGZVFWFLSA-N -1 3 396.426 3.772 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc(F)c1 ZINC000824045937 607770155 /nfs/dbraw/zinc/77/01/55/607770155.db2.gz PNNGOCZEMZFYNQ-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc(F)c1 ZINC000824045937 607770156 /nfs/dbraw/zinc/77/01/56/607770156.db2.gz PNNGOCZEMZFYNQ-NSHDSACASA-N -1 3 394.435 3.872 20 0 GHADHM CC(=O)[C@H](C)CCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823962934 607770381 /nfs/dbraw/zinc/77/03/81/607770381.db2.gz SROXSAWFDSJFEH-GFCCVEGCSA-N -1 3 398.492 3.714 20 0 GHADHM CC(=O)[C@H](C)CCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823962934 607770382 /nfs/dbraw/zinc/77/03/82/607770382.db2.gz SROXSAWFDSJFEH-GFCCVEGCSA-N -1 3 398.492 3.714 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826471591 607771744 /nfs/dbraw/zinc/77/17/44/607771744.db2.gz FTUFYHBVDMEXMG-HXUWFJFHSA-N -1 3 375.476 3.884 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000826471591 607771745 /nfs/dbraw/zinc/77/17/45/607771745.db2.gz FTUFYHBVDMEXMG-HXUWFJFHSA-N -1 3 375.476 3.884 20 0 GHADHM Cn1ccnc1C[C@H](N[C@H]1C[C@H](NC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833954998 605799055 /nfs/dbraw/zinc/79/90/55/605799055.db2.gz BVGJCWCPWBXUGU-UFYCRDLUSA-N -1 3 376.460 3.747 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820329559 606028940 /nfs/dbraw/zinc/02/89/40/606028940.db2.gz XUWRTJPRGNXTPM-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820329559 606028943 /nfs/dbraw/zinc/02/89/43/606028943.db2.gz XUWRTJPRGNXTPM-INIZCTEOSA-N -1 3 398.470 3.739 20 0 GHADHM COc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2)cc1 ZINC000821783076 606055563 /nfs/dbraw/zinc/05/55/63/606055563.db2.gz VGMUYLUKODUZIJ-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM COc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2)cc1 ZINC000821783076 606055567 /nfs/dbraw/zinc/05/55/67/606055567.db2.gz VGMUYLUKODUZIJ-LJQANCHMSA-N -1 3 376.395 3.611 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000822796681 606094094 /nfs/dbraw/zinc/09/40/94/606094094.db2.gz VKMYBNALAFRGGE-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Fc1ccccc1Oc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000822796681 606094096 /nfs/dbraw/zinc/09/40/96/606094096.db2.gz VKMYBNALAFRGGE-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM CSCc1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)ccc1F ZINC000821969690 606108067 /nfs/dbraw/zinc/10/80/67/606108067.db2.gz DGCWJZIHNDWUBD-UHFFFAOYSA-N -1 3 399.495 3.920 20 0 GHADHM CSCc1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)ccc1F ZINC000821969690 606108068 /nfs/dbraw/zinc/10/80/68/606108068.db2.gz DGCWJZIHNDWUBD-UHFFFAOYSA-N -1 3 399.495 3.920 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C(C)(C)C1 ZINC000820743457 606115189 /nfs/dbraw/zinc/11/51/89/606115189.db2.gz UNKLAMPSRJDXMV-LBPRGKRZSA-N -1 3 397.508 3.566 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C(C)(C)C1 ZINC000820743457 606115191 /nfs/dbraw/zinc/11/51/91/606115191.db2.gz UNKLAMPSRJDXMV-LBPRGKRZSA-N -1 3 397.508 3.566 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(Br)c2)s1 ZINC000821465313 606148003 /nfs/dbraw/zinc/14/80/03/606148003.db2.gz FPKVHJJISUBQHW-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(Br)c2)s1 ZINC000821465313 606148005 /nfs/dbraw/zinc/14/80/05/606148005.db2.gz FPKVHJJISUBQHW-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM O=[S@@](Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000823614382 606156383 /nfs/dbraw/zinc/15/63/83/606156383.db2.gz PIZGHJVODGPRMD-VWLOTQADSA-N -1 3 386.786 3.847 20 0 GHADHM O=[S@@](Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000823614382 606156385 /nfs/dbraw/zinc/15/63/85/606156385.db2.gz PIZGHJVODGPRMD-VWLOTQADSA-N -1 3 386.786 3.847 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000820342113 606162553 /nfs/dbraw/zinc/16/25/53/606162553.db2.gz TZZRMLSFEOLJOQ-DLBZAZTESA-N -1 3 392.507 3.979 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000820342113 606162555 /nfs/dbraw/zinc/16/25/55/606162555.db2.gz TZZRMLSFEOLJOQ-DLBZAZTESA-N -1 3 392.507 3.979 20 0 GHADHM COc1ccccc1[C@H](CC(C)C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821882955 606166052 /nfs/dbraw/zinc/16/60/52/606166052.db2.gz OJGJIQFYODLCLD-KRWDZBQOSA-N -1 3 396.520 3.949 20 0 GHADHM COc1ccccc1[C@H](CC(C)C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821882955 606166053 /nfs/dbraw/zinc/16/60/53/606166053.db2.gz OJGJIQFYODLCLD-KRWDZBQOSA-N -1 3 396.520 3.949 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820495706 606167590 /nfs/dbraw/zinc/16/75/90/606167590.db2.gz JCVVTJFHRTYLGJ-NSHDSACASA-N -1 3 387.465 3.549 20 0 GHADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820495706 606167592 /nfs/dbraw/zinc/16/75/92/606167592.db2.gz JCVVTJFHRTYLGJ-NSHDSACASA-N -1 3 387.465 3.549 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222007 606179631 /nfs/dbraw/zinc/17/96/31/606179631.db2.gz NHKSJCSTXIPXPN-CQSZACIVSA-N -1 3 399.495 3.849 20 0 GHADHM CCN(Cc1cccc(F)c1)C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821222007 606179633 /nfs/dbraw/zinc/17/96/33/606179633.db2.gz NHKSJCSTXIPXPN-CQSZACIVSA-N -1 3 399.495 3.849 20 0 GHADHM Fc1cccc(-c2cnc(CSCCOc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822787361 606180364 /nfs/dbraw/zinc/18/03/64/606180364.db2.gz ZSXYROGRUBBHET-UHFFFAOYSA-N -1 3 397.435 3.973 20 0 GHADHM Fc1cccc(-c2cnc(CSCCOc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822787361 606180365 /nfs/dbraw/zinc/18/03/65/606180365.db2.gz ZSXYROGRUBBHET-UHFFFAOYSA-N -1 3 397.435 3.973 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCc2ccccc2C1 ZINC000823493009 606183645 /nfs/dbraw/zinc/18/36/45/606183645.db2.gz DJAKBXSTXVYLIA-UHFFFAOYSA-N -1 3 381.439 3.732 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000823493009 606183646 /nfs/dbraw/zinc/18/36/46/606183646.db2.gz DJAKBXSTXVYLIA-UHFFFAOYSA-N -1 3 381.439 3.732 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3sccc3-c3nnn[n-]3)c2c1 ZINC000822279576 606208962 /nfs/dbraw/zinc/20/89/62/606208962.db2.gz BGPWNHVTFJBJAY-UHFFFAOYSA-N -1 3 376.445 3.915 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3sccc3-c3nn[n-]n3)c2c1 ZINC000822279576 606208965 /nfs/dbraw/zinc/20/89/65/606208965.db2.gz BGPWNHVTFJBJAY-UHFFFAOYSA-N -1 3 376.445 3.915 20 0 GHADHM CC(C)CCCCCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820072946 606226249 /nfs/dbraw/zinc/22/62/49/606226249.db2.gz OSQNMXMDLVWDKQ-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM CC(C)CCCCCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820072946 606226251 /nfs/dbraw/zinc/22/62/51/606226251.db2.gz OSQNMXMDLVWDKQ-UHFFFAOYSA-N -1 3 384.440 3.566 20 0 GHADHM CCC1(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000820944720 606227249 /nfs/dbraw/zinc/22/72/49/606227249.db2.gz NPNLMOIOLMAYLQ-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM CCC1(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000820944720 606227251 /nfs/dbraw/zinc/22/72/51/606227251.db2.gz NPNLMOIOLMAYLQ-UHFFFAOYSA-N -1 3 377.448 3.965 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2)[C@H]1C[C@@H]1C1CC1 ZINC000823383073 606233203 /nfs/dbraw/zinc/23/32/03/606233203.db2.gz KTFZYAMZOWZNON-KGLIPLIRSA-N -1 3 377.473 3.678 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2)[C@H]1C[C@@H]1C1CC1 ZINC000823383073 606233205 /nfs/dbraw/zinc/23/32/05/606233205.db2.gz KTFZYAMZOWZNON-KGLIPLIRSA-N -1 3 377.473 3.678 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000823343790 606271269 /nfs/dbraw/zinc/27/12/69/606271269.db2.gz HHRKEHMWWWKWLF-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000823343790 606271271 /nfs/dbraw/zinc/27/12/71/606271271.db2.gz HHRKEHMWWWKWLF-UHFFFAOYSA-N -1 3 384.758 3.567 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000821118692 606281323 /nfs/dbraw/zinc/28/13/23/606281323.db2.gz PMDATUYEAZIYMX-KBPBESRZSA-N -1 3 398.417 3.709 20 0 GHADHM CC[C@H](C)CN(CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820870431 606300594 /nfs/dbraw/zinc/30/05/94/606300594.db2.gz SMKXLLOGUMQTNA-AWEZNQCLSA-N -1 3 383.452 3.547 20 0 GHADHM COC(=O)[C@@H](N[C@@H](CC(C)C)c1ccccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821642831 606306944 /nfs/dbraw/zinc/30/69/44/606306944.db2.gz QEVPQFWWMLJAOE-PMACEKPBSA-N -1 3 393.491 3.766 20 0 GHADHM COC(=O)[C@@H](N[C@@H](CC(C)C)c1ccccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821642831 606306946 /nfs/dbraw/zinc/30/69/46/606306946.db2.gz QEVPQFWWMLJAOE-PMACEKPBSA-N -1 3 393.491 3.766 20 0 GHADHM O=C1[C@@H](Sc2ccc(F)c(Cl)c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823510802 606311268 /nfs/dbraw/zinc/31/12/68/606311268.db2.gz AFLCWTJYQHIPKE-LBPRGKRZSA-N -1 3 395.872 3.618 20 0 GHADHM O=C1[C@@H](Sc2ccc(F)c(Cl)c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823510802 606311269 /nfs/dbraw/zinc/31/12/69/606311269.db2.gz AFLCWTJYQHIPKE-LBPRGKRZSA-N -1 3 395.872 3.618 20 0 GHADHM C[C@H](S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccs1 ZINC000820548864 606312265 /nfs/dbraw/zinc/31/22/65/606312265.db2.gz GZARKTBUVCIAGS-CABZTGNLSA-N -1 3 377.520 3.589 20 0 GHADHM C[C@H](S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1cccs1 ZINC000820548864 606312266 /nfs/dbraw/zinc/31/22/66/606312266.db2.gz GZARKTBUVCIAGS-CABZTGNLSA-N -1 3 377.520 3.589 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823372379 606314382 /nfs/dbraw/zinc/31/43/82/606314382.db2.gz ADGWXNNTSUPIOM-UHFFFAOYSA-N -1 3 376.445 3.739 20 0 GHADHM O=C(Nc1ccccc1SCc1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823372379 606314384 /nfs/dbraw/zinc/31/43/84/606314384.db2.gz ADGWXNNTSUPIOM-UHFFFAOYSA-N -1 3 376.445 3.739 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Br)cc1 ZINC000820554875 606326699 /nfs/dbraw/zinc/32/66/99/606326699.db2.gz AOJODJHMGPLRGP-JTQLQIEISA-N -1 3 389.278 3.993 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Br)cc1 ZINC000820554875 606326701 /nfs/dbraw/zinc/32/67/01/606326701.db2.gz AOJODJHMGPLRGP-JTQLQIEISA-N -1 3 389.278 3.993 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000820937678 606335661 /nfs/dbraw/zinc/33/56/61/606335661.db2.gz BUGMZDFHVIFFGD-SFHVURJKSA-N -1 3 397.454 3.600 20 0 GHADHM CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000820937678 606335663 /nfs/dbraw/zinc/33/56/63/606335663.db2.gz BUGMZDFHVIFFGD-SFHVURJKSA-N -1 3 397.454 3.600 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000820151244 606343773 /nfs/dbraw/zinc/34/37/73/606343773.db2.gz DVBWNXQXERBXSW-CPUCHLNUSA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000820151244 606343774 /nfs/dbraw/zinc/34/37/74/606343774.db2.gz DVBWNXQXERBXSW-CPUCHLNUSA-N -1 3 384.484 3.839 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000820380572 606350175 /nfs/dbraw/zinc/35/01/75/606350175.db2.gz WMTIXKZVECXHQE-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000820380572 606350176 /nfs/dbraw/zinc/35/01/76/606350176.db2.gz WMTIXKZVECXHQE-MRVPVSSYSA-N -1 3 378.770 3.681 20 0 GHADHM C[C@@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820499986 606355588 /nfs/dbraw/zinc/35/55/88/606355588.db2.gz BERQPZNSOVJTBG-GFCCVEGCSA-N -1 3 393.378 3.508 20 0 GHADHM C[C@@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820499986 606355590 /nfs/dbraw/zinc/35/55/90/606355590.db2.gz BERQPZNSOVJTBG-GFCCVEGCSA-N -1 3 393.378 3.508 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c12 ZINC000822530670 606356756 /nfs/dbraw/zinc/35/67/56/606356756.db2.gz LORJUTTWJNRCQT-NSHDSACASA-N -1 3 390.403 3.507 20 0 GHADHM Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c12 ZINC000822530670 606356757 /nfs/dbraw/zinc/35/67/57/606356757.db2.gz LORJUTTWJNRCQT-NSHDSACASA-N -1 3 390.403 3.507 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536127 606359803 /nfs/dbraw/zinc/35/98/03/606359803.db2.gz SDFAGSWOMCRDBQ-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536127 606359805 /nfs/dbraw/zinc/35/98/05/606359805.db2.gz SDFAGSWOMCRDBQ-GHMZBOCLSA-N -1 3 390.802 3.731 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820939834 606371782 /nfs/dbraw/zinc/37/17/82/606371782.db2.gz YZTMZRFEPPHYCP-GFCCVEGCSA-N -1 3 391.884 3.995 20 0 GHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820939834 606371783 /nfs/dbraw/zinc/37/17/83/606371783.db2.gz YZTMZRFEPPHYCP-GFCCVEGCSA-N -1 3 391.884 3.995 20 0 GHADHM Cc1cc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1Cl ZINC000822210592 606413105 /nfs/dbraw/zinc/41/31/05/606413105.db2.gz JHTZDRIZRMTUAL-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM Cc1cc(OCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1Cl ZINC000822210592 606413107 /nfs/dbraw/zinc/41/31/07/606413107.db2.gz JHTZDRIZRMTUAL-UHFFFAOYSA-N -1 3 392.246 3.524 20 0 GHADHM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574807 606415009 /nfs/dbraw/zinc/41/50/09/606415009.db2.gz YDLSDLJPNSJWBF-UHFFFAOYSA-N -1 3 397.744 3.695 20 0 GHADHM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574807 606415010 /nfs/dbraw/zinc/41/50/10/606415010.db2.gz YDLSDLJPNSJWBF-UHFFFAOYSA-N -1 3 397.744 3.695 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820494898 606436669 /nfs/dbraw/zinc/43/66/69/606436669.db2.gz CTRHPGOUOJGUCP-OLZOCXBDSA-N -1 3 393.472 3.754 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820494898 606436670 /nfs/dbraw/zinc/43/66/70/606436670.db2.gz CTRHPGOUOJGUCP-OLZOCXBDSA-N -1 3 393.472 3.754 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1cccnc1 ZINC000822775284 606445484 /nfs/dbraw/zinc/44/54/84/606445484.db2.gz ULNZJIPDTUDISQ-HNNXBMFYSA-N -1 3 395.829 3.944 20 0 GHADHM Fc1ccc(Cl)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1cccnc1 ZINC000822775284 606445486 /nfs/dbraw/zinc/44/54/86/606445486.db2.gz ULNZJIPDTUDISQ-HNNXBMFYSA-N -1 3 395.829 3.944 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455668 606454913 /nfs/dbraw/zinc/45/49/13/606454913.db2.gz LAZGQLAIZFCUGC-MRVPVSSYSA-N -1 3 389.341 3.641 20 0 GHADHM O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823392159 606465130 /nfs/dbraw/zinc/46/51/30/606465130.db2.gz MACTZCIBXOLMPI-INIZCTEOSA-N -1 3 397.847 3.923 20 0 GHADHM O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823392159 606465131 /nfs/dbraw/zinc/46/51/31/606465131.db2.gz MACTZCIBXOLMPI-INIZCTEOSA-N -1 3 397.847 3.923 20 0 GHADHM Cc1csc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822409387 606487679 /nfs/dbraw/zinc/48/76/79/606487679.db2.gz SFYRZRFFTDBGCF-CYBMUJFWSA-N -1 3 392.435 3.570 20 0 GHADHM Cc1csc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822409387 606487680 /nfs/dbraw/zinc/48/76/80/606487680.db2.gz SFYRZRFFTDBGCF-CYBMUJFWSA-N -1 3 392.435 3.570 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000823088640 606489777 /nfs/dbraw/zinc/48/97/77/606489777.db2.gz ZIYSRGXYPLGDOU-UHFFFAOYSA-N -1 3 397.482 3.681 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000823088640 606489778 /nfs/dbraw/zinc/48/97/78/606489778.db2.gz ZIYSRGXYPLGDOU-UHFFFAOYSA-N -1 3 397.482 3.681 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821827481 606495499 /nfs/dbraw/zinc/49/54/99/606495499.db2.gz CNDGWROUZMSQLN-UHFFFAOYSA-N -1 3 399.454 3.651 20 0 GHADHM COc1ccc(N(Cc2ccccc2)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821827481 606495501 /nfs/dbraw/zinc/49/55/01/606495501.db2.gz CNDGWROUZMSQLN-UHFFFAOYSA-N -1 3 399.454 3.651 20 0 GHADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(Cl)cccc1Cl ZINC000820268351 606502072 /nfs/dbraw/zinc/50/20/72/606502072.db2.gz ABCGMXXRNWVCPF-QMMMGPOBSA-N -1 3 382.276 3.769 20 0 GHADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(Cl)cccc1Cl ZINC000820268351 606502075 /nfs/dbraw/zinc/50/20/75/606502075.db2.gz ABCGMXXRNWVCPF-QMMMGPOBSA-N -1 3 382.276 3.769 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821100119 606505197 /nfs/dbraw/zinc/50/51/97/606505197.db2.gz UIQOAMAHDAXRDH-UHFFFAOYSA-N -1 3 387.846 3.641 20 0 GHADHM CCCN(Cc1c(F)cccc1Cl)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821100119 606505199 /nfs/dbraw/zinc/50/51/99/606505199.db2.gz UIQOAMAHDAXRDH-UHFFFAOYSA-N -1 3 387.846 3.641 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000823087475 606507861 /nfs/dbraw/zinc/50/78/61/606507861.db2.gz QSJAVNCYVDZFHW-UHFFFAOYSA-N -1 3 379.439 3.520 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000823087475 606507864 /nfs/dbraw/zinc/50/78/64/606507864.db2.gz QSJAVNCYVDZFHW-UHFFFAOYSA-N -1 3 379.439 3.520 20 0 GHADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823196896 606526237 /nfs/dbraw/zinc/52/62/37/606526237.db2.gz MCNTUIDPXAFQKA-UHFFFAOYSA-N -1 3 382.276 3.598 20 0 GHADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823196896 606526238 /nfs/dbraw/zinc/52/62/38/606526238.db2.gz MCNTUIDPXAFQKA-UHFFFAOYSA-N -1 3 382.276 3.598 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819766357 606537329 /nfs/dbraw/zinc/53/73/29/606537329.db2.gz XMOTVNRNHJAJCH-NTCAYCPXSA-N -1 3 379.439 3.846 20 0 GHADHM CC(=Cc1ccc(F)cc1)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819766357 606537331 /nfs/dbraw/zinc/53/73/31/606537331.db2.gz XMOTVNRNHJAJCH-NTCAYCPXSA-N -1 3 379.439 3.846 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccsc1)c1ccccc1 ZINC000823088020 606544763 /nfs/dbraw/zinc/54/47/63/606544763.db2.gz WEJDXBUZXLCGDT-UHFFFAOYSA-N -1 3 375.457 3.704 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccsc1)c1ccccc1 ZINC000823088020 606544765 /nfs/dbraw/zinc/54/47/65/606544765.db2.gz WEJDXBUZXLCGDT-UHFFFAOYSA-N -1 3 375.457 3.704 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000823066156 606549022 /nfs/dbraw/zinc/54/90/22/606549022.db2.gz NNLMRBPDXADFPN-AWEZNQCLSA-N -1 3 386.399 3.623 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)O[C@@H](C1CCCC1)C(F)(F)F ZINC000823066156 606549024 /nfs/dbraw/zinc/54/90/24/606549024.db2.gz NNLMRBPDXADFPN-AWEZNQCLSA-N -1 3 386.399 3.623 20 0 GHADHM C[C@@H](N(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1(C)CC1 ZINC000820306802 606552374 /nfs/dbraw/zinc/55/23/74/606552374.db2.gz FULVOZMIOADNDT-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM C[C@@H](N(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1(C)CC1 ZINC000820306802 606552376 /nfs/dbraw/zinc/55/23/76/606552376.db2.gz FULVOZMIOADNDT-OAHLLOKOSA-N -1 3 391.475 3.706 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000823092095 606562737 /nfs/dbraw/zinc/56/27/37/606562737.db2.gz BQZXMXDYLOQSJR-HNNXBMFYSA-N -1 3 388.258 3.520 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000823092095 606562738 /nfs/dbraw/zinc/56/27/38/606562738.db2.gz BQZXMXDYLOQSJR-HNNXBMFYSA-N -1 3 388.258 3.520 20 0 GHADHM O=C(Nc1cc(F)ccc1SCC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823299383 606568563 /nfs/dbraw/zinc/56/85/63/606568563.db2.gz VCDVEBYCZAEKAF-UHFFFAOYSA-N -1 3 385.396 3.677 20 0 GHADHM O=C(OCc1csc(C2CCCCC2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440544 606569384 /nfs/dbraw/zinc/56/93/84/606569384.db2.gz YHJIGHAXIVIHOY-UHFFFAOYSA-N -1 3 375.479 3.789 20 0 GHADHM O=C(OCc1csc(C2CCCCC2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440544 606569386 /nfs/dbraw/zinc/56/93/86/606569386.db2.gz YHJIGHAXIVIHOY-UHFFFAOYSA-N -1 3 375.479 3.789 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821685988 606574829 /nfs/dbraw/zinc/57/48/29/606574829.db2.gz XHJKTZPTNDYLEX-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM COCCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821685988 606574831 /nfs/dbraw/zinc/57/48/31/606574831.db2.gz XHJKTZPTNDYLEX-UHFFFAOYSA-N -1 3 396.451 3.596 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898684 606583405 /nfs/dbraw/zinc/58/34/05/606583405.db2.gz HVRGEZUBRZFMNW-RAXLEYEMSA-N -1 3 375.432 3.747 20 0 GHADHM CC(C)(C)C(=O)c1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000819898684 606583407 /nfs/dbraw/zinc/58/34/07/606583407.db2.gz HVRGEZUBRZFMNW-RAXLEYEMSA-N -1 3 375.432 3.747 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823249661 606587570 /nfs/dbraw/zinc/58/75/70/606587570.db2.gz FPHAYEXILDHUED-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823249661 606587573 /nfs/dbraw/zinc/58/75/73/606587573.db2.gz FPHAYEXILDHUED-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823235520 606588742 /nfs/dbraw/zinc/58/87/42/606588742.db2.gz VXFIBIPYVKMZGU-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823235520 606588744 /nfs/dbraw/zinc/58/87/44/606588744.db2.gz VXFIBIPYVKMZGU-SFHVURJKSA-N -1 3 398.417 3.582 20 0 GHADHM COCc1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cs1 ZINC000821697048 606598812 /nfs/dbraw/zinc/59/88/12/606598812.db2.gz YYOZXZJHIXJPAC-UHFFFAOYSA-N -1 3 399.448 3.504 20 0 GHADHM COCc1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cs1 ZINC000821697048 606598813 /nfs/dbraw/zinc/59/88/13/606598813.db2.gz YYOZXZJHIXJPAC-UHFFFAOYSA-N -1 3 399.448 3.504 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820897470 606614697 /nfs/dbraw/zinc/61/46/97/606614697.db2.gz GDYJOQLWJGJGGB-AWEZNQCLSA-N -1 3 379.464 3.606 20 0 GHADHM CCC(CC)NC(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820897470 606614699 /nfs/dbraw/zinc/61/46/99/606614699.db2.gz GDYJOQLWJGJGGB-AWEZNQCLSA-N -1 3 379.464 3.606 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820676918 606619278 /nfs/dbraw/zinc/61/92/78/606619278.db2.gz PFNBMAPEEVLRDN-LQELWAHVSA-N -1 3 380.477 3.599 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820676918 606619280 /nfs/dbraw/zinc/61/92/80/606619280.db2.gz PFNBMAPEEVLRDN-LQELWAHVSA-N -1 3 380.477 3.599 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148232 606627762 /nfs/dbraw/zinc/62/77/62/606627762.db2.gz MUDHOJNMOIREBP-JKSUJKDBSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148232 606627763 /nfs/dbraw/zinc/62/77/63/606627763.db2.gz MUDHOJNMOIREBP-JKSUJKDBSA-N -1 3 393.491 3.979 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)n2)ccc1F ZINC000822130590 606633097 /nfs/dbraw/zinc/63/30/97/606633097.db2.gz WNYAHOAPRVTTHF-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)n2)ccc1F ZINC000822130590 606633098 /nfs/dbraw/zinc/63/30/98/606633098.db2.gz WNYAHOAPRVTTHF-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000821406566 606657317 /nfs/dbraw/zinc/65/73/17/606657317.db2.gz IBTSFVSHVWABJH-GFCCVEGCSA-N -1 3 382.424 3.616 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000821406566 606657318 /nfs/dbraw/zinc/65/73/18/606657318.db2.gz IBTSFVSHVWABJH-GFCCVEGCSA-N -1 3 382.424 3.616 20 0 GHADHM Cc1sc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1-c1ccc(F)cc1 ZINC000446055879 606667364 /nfs/dbraw/zinc/66/73/64/606667364.db2.gz WRJFERUHWJBKRF-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1sc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccc(F)cc1 ZINC000446055879 606667365 /nfs/dbraw/zinc/66/73/65/606667365.db2.gz WRJFERUHWJBKRF-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CCc2ccccc21 ZINC000821082810 606670339 /nfs/dbraw/zinc/67/03/39/606670339.db2.gz OXEZAYONAPFLHC-KRWDZBQOSA-N -1 3 383.402 3.685 20 0 GHADHM CCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCc2ccccc21 ZINC000821082810 606670340 /nfs/dbraw/zinc/67/03/40/606670340.db2.gz OXEZAYONAPFLHC-KRWDZBQOSA-N -1 3 383.402 3.685 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)CCCO1 ZINC000820577095 606672460 /nfs/dbraw/zinc/67/24/60/606672460.db2.gz JUDWQNMWVPELNX-IBGZPJMESA-N -1 3 399.838 3.820 20 0 GHADHM C[C@@]1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)CCCO1 ZINC000820577095 606672461 /nfs/dbraw/zinc/67/24/61/606672461.db2.gz JUDWQNMWVPELNX-IBGZPJMESA-N -1 3 399.838 3.820 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC2(CCCC2)c2c1cccc2F ZINC000823455112 606676708 /nfs/dbraw/zinc/67/67/08/606676708.db2.gz WRFRUCZLVODLJL-UHFFFAOYSA-N -1 3 399.376 3.756 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC2(CCCC2)c2c1cccc2F ZINC000823455112 606676709 /nfs/dbraw/zinc/67/67/09/606676709.db2.gz WRFRUCZLVODLJL-UHFFFAOYSA-N -1 3 399.376 3.756 20 0 GHADHM Cc1cccc(C2(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCCC2)c1 ZINC000822299250 606676842 /nfs/dbraw/zinc/67/68/42/606676842.db2.gz CHASMMGCXSPNTK-UHFFFAOYSA-N -1 3 383.402 3.653 20 0 GHADHM Cc1cccc(C2(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCCC2)c1 ZINC000822299250 606676843 /nfs/dbraw/zinc/67/68/43/606676843.db2.gz CHASMMGCXSPNTK-UHFFFAOYSA-N -1 3 383.402 3.653 20 0 GHADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823346869 606677300 /nfs/dbraw/zinc/67/73/00/606677300.db2.gz RSTURTSINYVCIL-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM O=C(Nc1ccc(F)cc1C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823346869 606677301 /nfs/dbraw/zinc/67/73/01/606677301.db2.gz RSTURTSINYVCIL-UHFFFAOYSA-N -1 3 387.243 3.555 20 0 GHADHM C[C@@H]1Sc2ccccc2N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC000820819296 606685669 /nfs/dbraw/zinc/68/56/69/606685669.db2.gz HAUWSWMBHXUTPH-UWVGGRQHSA-N -1 3 387.415 3.674 20 0 GHADHM C[C@@H]1Sc2ccccc2N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC000820819296 606685670 /nfs/dbraw/zinc/68/56/70/606685670.db2.gz HAUWSWMBHXUTPH-UWVGGRQHSA-N -1 3 387.415 3.674 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000822979058 606693905 /nfs/dbraw/zinc/69/39/05/606693905.db2.gz WBZAIIZOAROIMF-NRFANRHFSA-N -1 3 393.466 3.986 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000822979058 606693906 /nfs/dbraw/zinc/69/39/06/606693906.db2.gz WBZAIIZOAROIMF-NRFANRHFSA-N -1 3 393.466 3.986 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823358782 606696271 /nfs/dbraw/zinc/69/62/71/606696271.db2.gz FCULHSCDTTYTKY-LJQANCHMSA-N -1 3 388.406 3.917 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823358782 606696272 /nfs/dbraw/zinc/69/62/72/606696272.db2.gz FCULHSCDTTYTKY-LJQANCHMSA-N -1 3 388.406 3.917 20 0 GHADHM Clc1cccc([C@@H](NCc2cc(-c3nnn[n-]3)cs2)c2ccccn2)c1 ZINC000822585610 606743191 /nfs/dbraw/zinc/74/31/91/606743191.db2.gz HCKIJQDKPBXUHJ-QGZVFWFLSA-N -1 3 382.880 3.856 20 0 GHADHM Clc1cccc([C@@H](NCc2cc(-c3nn[n-]n3)cs2)c2ccccn2)c1 ZINC000822585610 606743192 /nfs/dbraw/zinc/74/31/92/606743192.db2.gz HCKIJQDKPBXUHJ-QGZVFWFLSA-N -1 3 382.880 3.856 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NC1(C2CC2)CC1 ZINC000823366943 606772751 /nfs/dbraw/zinc/77/27/51/606772751.db2.gz ATGGZAORJTXKSS-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NC1(C2CC2)CC1 ZINC000823366943 606772753 /nfs/dbraw/zinc/77/27/53/606772753.db2.gz ATGGZAORJTXKSS-UHFFFAOYSA-N -1 3 376.420 3.723 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)O1 ZINC000820973222 606790577 /nfs/dbraw/zinc/79/05/77/606790577.db2.gz VDZLECDPVIAODA-MAUKXSAKSA-N -1 3 379.420 3.555 20 0 GHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)O1 ZINC000820973222 606790579 /nfs/dbraw/zinc/79/05/79/606790579.db2.gz VDZLECDPVIAODA-MAUKXSAKSA-N -1 3 379.420 3.555 20 0 GHADHM O=C(NC[C@@H]1CCCS1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823176720 606809888 /nfs/dbraw/zinc/80/98/88/606809888.db2.gz XPAXICJJPYKKPO-HNNXBMFYSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(NC[C@@H]1CCCS1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823176720 606809889 /nfs/dbraw/zinc/80/98/89/606809889.db2.gz XPAXICJJPYKKPO-HNNXBMFYSA-N -1 3 397.529 3.643 20 0 GHADHM CC(C)(CNC(=O)c1cc(-c2nnn[n-]2)cs1)Cc1cccc(Cl)c1 ZINC000819981224 606810066 /nfs/dbraw/zinc/81/00/66/606810066.db2.gz RQTVMDOBSSUMTC-UHFFFAOYSA-N -1 3 375.885 3.580 20 0 GHADHM CC(C)(CNC(=O)c1cc(-c2nn[n-]n2)cs1)Cc1cccc(Cl)c1 ZINC000819981224 606810068 /nfs/dbraw/zinc/81/00/68/606810068.db2.gz RQTVMDOBSSUMTC-UHFFFAOYSA-N -1 3 375.885 3.580 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC000823027418 606819660 /nfs/dbraw/zinc/81/96/60/606819660.db2.gz UKNSYQBTMLNTRL-UHFFFAOYSA-N -1 3 385.427 3.611 20 0 GHADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000823027418 606819662 /nfs/dbraw/zinc/81/96/62/606819662.db2.gz UKNSYQBTMLNTRL-UHFFFAOYSA-N -1 3 385.427 3.611 20 0 GHADHM Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1O ZINC000822254818 606831828 /nfs/dbraw/zinc/83/18/28/606831828.db2.gz RXKAGCVPPHVZRW-UHFFFAOYSA-N -1 3 387.399 3.925 20 0 GHADHM c1csc(Oc2ccc(OCCCOc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000823762176 606840099 /nfs/dbraw/zinc/84/00/99/606840099.db2.gz LLNQPWUUMBHUPC-UHFFFAOYSA-N -1 3 395.444 3.963 20 0 GHADHM c1csc(Oc2ccc(OCCCOc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000823762176 606840100 /nfs/dbraw/zinc/84/01/00/606840100.db2.gz LLNQPWUUMBHUPC-UHFFFAOYSA-N -1 3 395.444 3.963 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000820550806 606851028 /nfs/dbraw/zinc/85/10/28/606851028.db2.gz ZBDWDPXSHXAUAR-MJVIPROJSA-N -1 3 379.917 3.696 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000820550806 606851029 /nfs/dbraw/zinc/85/10/29/606851029.db2.gz ZBDWDPXSHXAUAR-MJVIPROJSA-N -1 3 379.917 3.696 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000820098617 606853028 /nfs/dbraw/zinc/85/30/28/606853028.db2.gz ZZESJOSZHYBQLX-JTQLQIEISA-N -1 3 394.888 3.929 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820098617 606853029 /nfs/dbraw/zinc/85/30/29/606853029.db2.gz ZZESJOSZHYBQLX-JTQLQIEISA-N -1 3 394.888 3.929 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)O1 ZINC000820678771 606869560 /nfs/dbraw/zinc/86/95/60/606869560.db2.gz YCSXJEAERODHTF-PIGZYNQJSA-N -1 3 399.838 3.818 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)O1 ZINC000820678771 606869562 /nfs/dbraw/zinc/86/95/62/606869562.db2.gz YCSXJEAERODHTF-PIGZYNQJSA-N -1 3 399.838 3.818 20 0 GHADHM CCc1noc(C)c1CSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000821554534 606872521 /nfs/dbraw/zinc/87/25/21/606872521.db2.gz OEOPWQUEISYFFE-UHFFFAOYSA-N -1 3 384.387 3.740 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](Nc2ccccc2)C1 ZINC000822331275 606875194 /nfs/dbraw/zinc/87/51/94/606875194.db2.gz BJHYWQYRHZQCSU-KRWDZBQOSA-N -1 3 385.475 3.804 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](Nc2ccccc2)C1 ZINC000822331275 606875195 /nfs/dbraw/zinc/87/51/95/606875195.db2.gz BJHYWQYRHZQCSU-KRWDZBQOSA-N -1 3 385.475 3.804 20 0 GHADHM FC(F)(F)c1ccc(N2CCc3[nH]c4ccccc4c3C2)c(-c2nnn[n-]2)c1 ZINC000822723415 606920302 /nfs/dbraw/zinc/92/03/02/606920302.db2.gz DGRIOFXKIGFFFL-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM FC(F)(F)c1ccc(N2CCc3[nH]c4ccccc4c3C2)c(-c2nn[n-]n2)c1 ZINC000822723415 606920303 /nfs/dbraw/zinc/92/03/03/606920303.db2.gz DGRIOFXKIGFFFL-UHFFFAOYSA-N -1 3 384.365 3.930 20 0 GHADHM O[C@H](CN(Cc1ccsc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823672398 606924075 /nfs/dbraw/zinc/92/40/75/606924075.db2.gz DQARYUKJCQOOTC-LJQANCHMSA-N -1 3 377.473 3.668 20 0 GHADHM O[C@H](CN(Cc1ccsc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672398 606924077 /nfs/dbraw/zinc/92/40/77/606924077.db2.gz DQARYUKJCQOOTC-LJQANCHMSA-N -1 3 377.473 3.668 20 0 GHADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1OCC1CCOCC1 ZINC000822259447 606929903 /nfs/dbraw/zinc/92/99/03/606929903.db2.gz XEDXUPNBWVRNKP-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1OCC1CCOCC1 ZINC000822259447 606929904 /nfs/dbraw/zinc/92/99/04/606929904.db2.gz XEDXUPNBWVRNKP-UHFFFAOYSA-N -1 3 397.454 3.732 20 0 GHADHM CCC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000821020518 606933641 /nfs/dbraw/zinc/93/36/41/606933641.db2.gz CQGJQIZTQKNFKP-OAHLLOKOSA-N -1 3 388.447 3.973 20 0 GHADHM CCC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000821020518 606933643 /nfs/dbraw/zinc/93/36/43/606933643.db2.gz CQGJQIZTQKNFKP-OAHLLOKOSA-N -1 3 388.447 3.973 20 0 GHADHM CCc1nnc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1CC ZINC000821528193 606937000 /nfs/dbraw/zinc/93/70/00/606937000.db2.gz KZMIGBNLKNVFSE-LBPRGKRZSA-N -1 3 390.451 3.610 20 0 GHADHM CCc1nnc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1CC ZINC000821528193 606937001 /nfs/dbraw/zinc/93/70/01/606937001.db2.gz KZMIGBNLKNVFSE-LBPRGKRZSA-N -1 3 390.451 3.610 20 0 GHADHM CO[C@@H](C)c1nc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cs1 ZINC000821675900 606943531 /nfs/dbraw/zinc/94/35/31/606943531.db2.gz WEUHQUCZRLXLBP-QMMMGPOBSA-N -1 3 384.387 3.662 20 0 GHADHM CO[C@@H](C)c1nc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cs1 ZINC000821675900 606943533 /nfs/dbraw/zinc/94/35/33/606943533.db2.gz WEUHQUCZRLXLBP-QMMMGPOBSA-N -1 3 384.387 3.662 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccsc2)C1 ZINC000822204286 606949276 /nfs/dbraw/zinc/94/92/76/606949276.db2.gz KWYJBOITSAVZHM-MRXNPFEDSA-N -1 3 396.451 3.502 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2ccsc2)C1 ZINC000822204286 606949277 /nfs/dbraw/zinc/94/92/77/606949277.db2.gz KWYJBOITSAVZHM-MRXNPFEDSA-N -1 3 396.451 3.502 20 0 GHADHM CN(C(=O)c1cc(F)c(F)cc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573679 606958946 /nfs/dbraw/zinc/95/89/46/606958946.db2.gz ZUWIJYDFHJUFJW-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CN(C(=O)c1cc(F)c(F)cc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573679 606958948 /nfs/dbraw/zinc/95/89/48/606958948.db2.gz ZUWIJYDFHJUFJW-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM Cc1ccc2c(CCC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000822275224 606959861 /nfs/dbraw/zinc/95/98/61/606959861.db2.gz QILUFCWJPQPACB-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM Cc1ccc2c(CCC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000822275224 606959863 /nfs/dbraw/zinc/95/98/63/606959863.db2.gz QILUFCWJPQPACB-UHFFFAOYSA-N -1 3 394.866 3.905 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(Cl)c1F ZINC000823303710 606960050 /nfs/dbraw/zinc/96/00/50/606960050.db2.gz RUFHRNDVMJJTEG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(Cl)c1F ZINC000823303710 606960051 /nfs/dbraw/zinc/96/00/51/606960051.db2.gz RUFHRNDVMJJTEG-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM CN(C(=O)C[C@H]1CCCc2ccccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569589 606961057 /nfs/dbraw/zinc/96/10/57/606961057.db2.gz OXUNCTOTVJHUIA-CQSZACIVSA-N -1 3 381.867 3.993 20 0 GHADHM CN(C(=O)C[C@H]1CCCc2ccccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569589 606961059 /nfs/dbraw/zinc/96/10/59/606961059.db2.gz OXUNCTOTVJHUIA-CQSZACIVSA-N -1 3 381.867 3.993 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569468 606962840 /nfs/dbraw/zinc/96/28/40/606962840.db2.gz LBWVICCTSIBDKO-QWHCGFSZSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569468 606962843 /nfs/dbraw/zinc/96/28/43/606962843.db2.gz LBWVICCTSIBDKO-QWHCGFSZSA-N -1 3 389.793 3.565 20 0 GHADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574530 606963384 /nfs/dbraw/zinc/96/33/84/606963384.db2.gz KMDUKIWOQJMSEL-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM CN(C(=O)c1cccc(-c2cscn2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574530 606963386 /nfs/dbraw/zinc/96/33/86/606963386.db2.gz KMDUKIWOQJMSEL-UHFFFAOYSA-N -1 3 396.863 3.920 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822422880 606999146 /nfs/dbraw/zinc/99/91/46/606999146.db2.gz FJAUZOCDTMRQHJ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822422880 606999148 /nfs/dbraw/zinc/99/91/48/606999148.db2.gz FJAUZOCDTMRQHJ-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c(C)n1Cc1ccco1 ZINC000822167454 607012355 /nfs/dbraw/zinc/01/23/55/607012355.db2.gz FGNSDCSOCHIMEJ-UHFFFAOYSA-N -1 3 393.472 3.901 20 0 GHADHM Cc1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c(C)n1Cc1ccco1 ZINC000822167454 607012356 /nfs/dbraw/zinc/01/23/56/607012356.db2.gz FGNSDCSOCHIMEJ-UHFFFAOYSA-N -1 3 393.472 3.901 20 0 GHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820554949 607014935 /nfs/dbraw/zinc/01/49/35/607014935.db2.gz CFCOPUWBRSYSDL-KBPBESRZSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000820554949 607014937 /nfs/dbraw/zinc/01/49/37/607014937.db2.gz CFCOPUWBRSYSDL-KBPBESRZSA-N -1 3 379.489 3.715 20 0 GHADHM COc1cc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)cs2)ccc1O ZINC000821698271 607016854 /nfs/dbraw/zinc/01/68/54/607016854.db2.gz CCOQIRQJPDQAQS-UHFFFAOYSA-N -1 3 397.485 3.997 20 0 GHADHM COc1cc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)cs2)ccc1O ZINC000821698271 607016855 /nfs/dbraw/zinc/01/68/55/607016855.db2.gz CCOQIRQJPDQAQS-UHFFFAOYSA-N -1 3 397.485 3.997 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000820097701 607033720 /nfs/dbraw/zinc/03/37/20/607033720.db2.gz RURVOBFRFYHBTG-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM CC(C)CO[C@@H](C)c1noc(CSCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000820097701 607033721 /nfs/dbraw/zinc/03/37/21/607033721.db2.gz RURVOBFRFYHBTG-NSHDSACASA-N -1 3 392.460 3.556 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820372562 607035819 /nfs/dbraw/zinc/03/58/19/607035819.db2.gz ARXXEGHHXQPNCI-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000820372562 607035820 /nfs/dbraw/zinc/03/58/20/607035820.db2.gz ARXXEGHHXQPNCI-LBPRGKRZSA-N -1 3 396.426 3.677 20 0 GHADHM CC(C)C[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820067824 607052272 /nfs/dbraw/zinc/05/22/72/607052272.db2.gz MALXKJNLWVMLSJ-QGZVFWFLSA-N -1 3 385.512 3.701 20 0 GHADHM CC(C)C[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820067824 607052274 /nfs/dbraw/zinc/05/22/74/607052274.db2.gz MALXKJNLWVMLSJ-QGZVFWFLSA-N -1 3 385.512 3.701 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Br)ccc1F ZINC000820427161 607058970 /nfs/dbraw/zinc/05/89/70/607058970.db2.gz PPIGRLIBZLJJQO-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Br)ccc1F ZINC000820427161 607058971 /nfs/dbraw/zinc/05/89/71/607058971.db2.gz PPIGRLIBZLJJQO-SECBINFHSA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1OC(F)F ZINC000820425988 607058986 /nfs/dbraw/zinc/05/89/86/607058986.db2.gz DQXAVXYYGBNJER-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1OC(F)F ZINC000820425988 607058987 /nfs/dbraw/zinc/05/89/87/607058987.db2.gz DQXAVXYYGBNJER-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM COC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683954 607059145 /nfs/dbraw/zinc/05/91/45/607059145.db2.gz OGGRNPDHIXPGGS-MRXNPFEDSA-N -1 3 395.360 3.502 20 0 GHADHM COC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000821683954 607059148 /nfs/dbraw/zinc/05/91/48/607059148.db2.gz OGGRNPDHIXPGGS-MRXNPFEDSA-N -1 3 395.360 3.502 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Oc2ccccc2)nc1 ZINC000823417736 607079859 /nfs/dbraw/zinc/07/98/59/607079859.db2.gz HDHUETHUDNURPX-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)nc1 ZINC000823417736 607079860 /nfs/dbraw/zinc/07/98/60/607079860.db2.gz HDHUETHUDNURPX-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000820480664 607082819 /nfs/dbraw/zinc/08/28/19/607082819.db2.gz MLKXHGOGIXNBOW-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000820480664 607082821 /nfs/dbraw/zinc/08/28/21/607082821.db2.gz MLKXHGOGIXNBOW-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Cl)cc2cccnc21 ZINC000823414374 607085233 /nfs/dbraw/zinc/08/52/33/607085233.db2.gz WFHBADSCLXEWRE-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Cl)cc2cccnc21 ZINC000823414374 607085234 /nfs/dbraw/zinc/08/52/34/607085234.db2.gz WFHBADSCLXEWRE-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820914609 607097261 /nfs/dbraw/zinc/09/72/61/607097261.db2.gz QASVZNGBFCGILQ-SFHVURJKSA-N -1 3 396.470 3.559 20 0 GHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820914609 607097263 /nfs/dbraw/zinc/09/72/63/607097263.db2.gz QASVZNGBFCGILQ-SFHVURJKSA-N -1 3 396.470 3.559 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000822332069 607116759 /nfs/dbraw/zinc/11/67/59/607116759.db2.gz MDCXTNQXNVBQAU-SUMWQHHRSA-N -1 3 392.488 3.751 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000822332069 607116761 /nfs/dbraw/zinc/11/67/61/607116761.db2.gz MDCXTNQXNVBQAU-SUMWQHHRSA-N -1 3 392.488 3.751 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H]2CC23CCC3)cc1 ZINC000821701959 607124328 /nfs/dbraw/zinc/12/43/28/607124328.db2.gz BPHKLDDFBMBSIR-MRXNPFEDSA-N -1 3 391.431 3.796 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H]2CC23CCC3)cc1 ZINC000821701959 607124330 /nfs/dbraw/zinc/12/43/30/607124330.db2.gz BPHKLDDFBMBSIR-MRXNPFEDSA-N -1 3 391.431 3.796 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823366955 607135510 /nfs/dbraw/zinc/13/55/10/607135510.db2.gz BACBONNYMMUBCC-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823366955 607135512 /nfs/dbraw/zinc/13/55/12/607135512.db2.gz BACBONNYMMUBCC-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000821304606 607143899 /nfs/dbraw/zinc/14/38/99/607143899.db2.gz NFTCZCZXBGMLFU-UHFFFAOYSA-N -1 3 389.463 3.660 20 0 GHADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000820842078 607148419 /nfs/dbraw/zinc/14/84/19/607148419.db2.gz JCPDTAUKOCSWRQ-UHFFFAOYSA-N -1 3 381.461 3.652 20 0 GHADHM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000820842078 607148421 /nfs/dbraw/zinc/14/84/21/607148421.db2.gz JCPDTAUKOCSWRQ-UHFFFAOYSA-N -1 3 381.461 3.652 20 0 GHADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1ccc2sccc2c1 ZINC000823219772 607152758 /nfs/dbraw/zinc/15/27/58/607152758.db2.gz QAHTWZLWNCSTCO-UHFFFAOYSA-N -1 3 395.513 3.745 20 0 GHADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1ccc2sccc2c1 ZINC000823219772 607152759 /nfs/dbraw/zinc/15/27/59/607152759.db2.gz QAHTWZLWNCSTCO-UHFFFAOYSA-N -1 3 395.513 3.745 20 0 GHADHM Cc1c(F)cccc1NC(=O)CCSc1ccc(-c2nnn[n-]2)cc1F ZINC000822035001 607169828 /nfs/dbraw/zinc/16/98/28/607169828.db2.gz NWKYAWVKPXMZJI-UHFFFAOYSA-N -1 3 375.404 3.574 20 0 GHADHM Cc1c(F)cccc1NC(=O)CCSc1ccc(-c2nn[n-]n2)cc1F ZINC000822035001 607169829 /nfs/dbraw/zinc/16/98/29/607169829.db2.gz NWKYAWVKPXMZJI-UHFFFAOYSA-N -1 3 375.404 3.574 20 0 GHADHM CC(C)(C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C1CC1 ZINC000819976261 607188932 /nfs/dbraw/zinc/18/89/32/607188932.db2.gz RVDMBVMTAUACLD-UHFFFAOYSA-N -1 3 385.859 3.601 20 0 GHADHM CC(C)(C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C1CC1 ZINC000819976261 607188933 /nfs/dbraw/zinc/18/89/33/607188933.db2.gz RVDMBVMTAUACLD-UHFFFAOYSA-N -1 3 385.859 3.601 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000823318295 607197099 /nfs/dbraw/zinc/19/70/99/607197099.db2.gz BNNVJRXEFBKBNH-IAGOWNOFSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000823318295 607197100 /nfs/dbraw/zinc/19/71/00/607197100.db2.gz BNNVJRXEFBKBNH-IAGOWNOFSA-N -1 3 398.854 3.562 20 0 GHADHM O=C(NCCSCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823219785 607198389 /nfs/dbraw/zinc/19/83/89/607198389.db2.gz QJHHMKRFQGBJNJ-UHFFFAOYSA-N -1 3 388.884 3.575 20 0 GHADHM O=C(NCCSCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823219785 607198390 /nfs/dbraw/zinc/19/83/90/607198390.db2.gz QJHHMKRFQGBJNJ-UHFFFAOYSA-N -1 3 388.884 3.575 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823318371 607199619 /nfs/dbraw/zinc/19/96/19/607199619.db2.gz DJLUFRHOGBFKKH-VHSXEESVSA-N -1 3 388.781 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823318371 607199620 /nfs/dbraw/zinc/19/96/20/607199620.db2.gz DJLUFRHOGBFKKH-VHSXEESVSA-N -1 3 388.781 3.763 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000820000996 607234986 /nfs/dbraw/zinc/23/49/86/607234986.db2.gz AZGAPQMRPWHIHX-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000820000996 607234987 /nfs/dbraw/zinc/23/49/87/607234987.db2.gz AZGAPQMRPWHIHX-UHFFFAOYSA-N -1 3 392.246 3.970 20 0 GHADHM Cc1sc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000822563782 607235797 /nfs/dbraw/zinc/23/57/97/607235797.db2.gz OQBOWWDSNRYRLU-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM Cc1sc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000822563782 607235798 /nfs/dbraw/zinc/23/57/98/607235798.db2.gz OQBOWWDSNRYRLU-UHFFFAOYSA-N -1 3 385.346 3.955 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451785 607774912 /nfs/dbraw/zinc/77/49/12/607774912.db2.gz WLRSELOCNRNMOX-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451785 607774913 /nfs/dbraw/zinc/77/49/13/607774913.db2.gz WLRSELOCNRNMOX-UHFFFAOYSA-N -1 3 385.431 3.572 20 0 GHADHM CN(C(=O)COc1ccc(Cl)c2ccccc12)c1ccccc1-c1nnn[n-]1 ZINC000825818078 607789132 /nfs/dbraw/zinc/78/91/32/607789132.db2.gz VIMLEPOEQJSNLX-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM CN(C(=O)COc1ccc(Cl)c2ccccc12)c1ccccc1-c1nn[n-]n1 ZINC000825818078 607789133 /nfs/dbraw/zinc/78/91/33/607789133.db2.gz VIMLEPOEQJSNLX-UHFFFAOYSA-N -1 3 393.834 3.715 20 0 GHADHM CCN(C(=O)c1c(C)oc2ccc(OC)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825375960 607797505 /nfs/dbraw/zinc/79/75/05/607797505.db2.gz AQXOTPRZBMXWAG-UHFFFAOYSA-N -1 3 377.404 3.597 20 0 GHADHM CCN(C(=O)c1c(C)oc2ccc(OC)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825375960 607797506 /nfs/dbraw/zinc/79/75/06/607797506.db2.gz AQXOTPRZBMXWAG-UHFFFAOYSA-N -1 3 377.404 3.597 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736155041 607801145 /nfs/dbraw/zinc/80/11/45/607801145.db2.gz GFPHHEFGGLGYRW-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000736155041 607801146 /nfs/dbraw/zinc/80/11/46/607801146.db2.gz GFPHHEFGGLGYRW-NSHDSACASA-N -1 3 376.338 3.732 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826338334 607817932 /nfs/dbraw/zinc/81/79/32/607817932.db2.gz SEWBOMDBUQBSDF-AWEZNQCLSA-N -1 3 396.495 3.650 20 0 GHADHM Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826338334 607817933 /nfs/dbraw/zinc/81/79/33/607817933.db2.gz SEWBOMDBUQBSDF-AWEZNQCLSA-N -1 3 396.495 3.650 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826338131 607826365 /nfs/dbraw/zinc/82/63/65/607826365.db2.gz LRMYMUWQBOUCCU-SECBINFHSA-N -1 3 386.481 3.544 20 0 GHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826338131 607826366 /nfs/dbraw/zinc/82/63/66/607826366.db2.gz LRMYMUWQBOUCCU-SECBINFHSA-N -1 3 386.481 3.544 20 0 GHADHM O=C(NCc1ccccc1Cl)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826443623 607832628 /nfs/dbraw/zinc/83/26/28/607832628.db2.gz XANQABUCPNDRDS-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM O=C(NCc1ccccc1Cl)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826443623 607832629 /nfs/dbraw/zinc/83/26/29/607832629.db2.gz XANQABUCPNDRDS-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM CCCO[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825339387 607833988 /nfs/dbraw/zinc/83/39/88/607833988.db2.gz YRYLBESEAOITPW-LBPRGKRZSA-N -1 3 398.294 3.595 20 0 GHADHM CCCO[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825339387 607833989 /nfs/dbraw/zinc/83/39/89/607833989.db2.gz YRYLBESEAOITPW-LBPRGKRZSA-N -1 3 398.294 3.595 20 0 GHADHM COCC[C@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826154620 607837120 /nfs/dbraw/zinc/83/71/20/607837120.db2.gz TXYSTMOPKWVPPU-AWEZNQCLSA-N -1 3 398.488 3.741 20 0 GHADHM COCC[C@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826154620 607837121 /nfs/dbraw/zinc/83/71/21/607837121.db2.gz TXYSTMOPKWVPPU-AWEZNQCLSA-N -1 3 398.488 3.741 20 0 GHADHM CC(C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000824284334 607843495 /nfs/dbraw/zinc/84/34/95/607843495.db2.gz FGLBFWIGDXBUFZ-UHFFFAOYSA-N -1 3 379.917 3.792 20 0 GHADHM CC(C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000824284334 607843496 /nfs/dbraw/zinc/84/34/96/607843496.db2.gz FGLBFWIGDXBUFZ-UHFFFAOYSA-N -1 3 379.917 3.792 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC000826117735 607844351 /nfs/dbraw/zinc/84/43/51/607844351.db2.gz QUFFIZHPPUTAHI-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC000826117735 607844352 /nfs/dbraw/zinc/84/43/52/607844352.db2.gz QUFFIZHPPUTAHI-CQSZACIVSA-N -1 3 378.816 3.666 20 0 GHADHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)[C@H]1COc2ccccc21 ZINC000824650599 607850236 /nfs/dbraw/zinc/85/02/36/607850236.db2.gz SLEZSIZKZQLYHG-MEBBXXQBSA-N -1 3 394.385 3.670 20 0 GHADHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[C@H]1COc2ccccc21 ZINC000824650599 607850237 /nfs/dbraw/zinc/85/02/37/607850237.db2.gz SLEZSIZKZQLYHG-MEBBXXQBSA-N -1 3 394.385 3.670 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(Br)c1 ZINC000826282342 607861682 /nfs/dbraw/zinc/86/16/82/607861682.db2.gz JPRXVMFKQFNKQN-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(Br)c1 ZINC000826282342 607861683 /nfs/dbraw/zinc/86/16/83/607861683.db2.gz JPRXVMFKQFNKQN-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCO1 ZINC000824851613 607887382 /nfs/dbraw/zinc/88/73/82/607887382.db2.gz AYHYUBQFFQBJHA-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM CC1=C(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCO1 ZINC000824851613 607887383 /nfs/dbraw/zinc/88/73/83/607887383.db2.gz AYHYUBQFFQBJHA-UHFFFAOYSA-N -1 3 377.404 3.682 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCC1 ZINC000824507680 607918071 /nfs/dbraw/zinc/91/80/71/607918071.db2.gz XPUVAVSQHAQYQP-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCC1 ZINC000824507680 607918072 /nfs/dbraw/zinc/91/80/72/607918072.db2.gz XPUVAVSQHAQYQP-ZDUSSCGKSA-N -1 3 378.436 3.969 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826453458 607932160 /nfs/dbraw/zinc/93/21/60/607932160.db2.gz LFPULYLTFNYBEJ-UHFFFAOYSA-N -1 3 375.219 3.768 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826453458 607932161 /nfs/dbraw/zinc/93/21/61/607932161.db2.gz LFPULYLTFNYBEJ-UHFFFAOYSA-N -1 3 375.219 3.768 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cs1 ZINC000826305010 607948876 /nfs/dbraw/zinc/94/88/76/607948876.db2.gz HCTVBZJWHZXRFY-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cs1 ZINC000826305010 607948877 /nfs/dbraw/zinc/94/88/77/607948877.db2.gz HCTVBZJWHZXRFY-UHFFFAOYSA-N -1 3 388.456 3.502 20 0 GHADHM CC(C)c1ccc(SCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000824348117 607951474 /nfs/dbraw/zinc/95/14/74/607951474.db2.gz ZXNSRMVSAULWEU-UHFFFAOYSA-N -1 3 379.489 3.672 20 0 GHADHM CC(C)c1ccc(SCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000824348117 607951475 /nfs/dbraw/zinc/95/14/75/607951475.db2.gz ZXNSRMVSAULWEU-UHFFFAOYSA-N -1 3 379.489 3.672 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337420 607966009 /nfs/dbraw/zinc/96/60/09/607966009.db2.gz NQYNCGXTBPDUHU-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)n1[C@@H]1CCC[C@H](C)C1 ZINC000826337420 607966010 /nfs/dbraw/zinc/96/60/10/607966010.db2.gz NQYNCGXTBPDUHU-XHDPSFHLSA-N -1 3 387.488 3.949 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000825971347 607970487 /nfs/dbraw/zinc/97/04/87/607970487.db2.gz CJJXYLLCFYPJKR-UHFFFAOYSA-N -1 3 394.866 3.524 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000825971347 607970488 /nfs/dbraw/zinc/97/04/88/607970488.db2.gz CJJXYLLCFYPJKR-UHFFFAOYSA-N -1 3 394.866 3.524 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000824324566 607977824 /nfs/dbraw/zinc/97/78/24/607977824.db2.gz PXHNIWVBFTVKQX-UHFFFAOYSA-N -1 3 392.394 3.594 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826190853 607980561 /nfs/dbraw/zinc/98/05/61/607980561.db2.gz PJCBDQWBDXUJEC-INIZCTEOSA-N -1 3 393.491 3.743 20 0 GHADHM COc1ccc(C[C@H](C)C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826190853 607980562 /nfs/dbraw/zinc/98/05/62/607980562.db2.gz PJCBDQWBDXUJEC-INIZCTEOSA-N -1 3 393.491 3.743 20 0 GHADHM Cc1ccc(-c2ncco2)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826273587 607982750 /nfs/dbraw/zinc/98/27/50/607982750.db2.gz LBWXCCKEBLCVAL-UHFFFAOYSA-N -1 3 376.420 3.711 20 0 GHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347955 608008233 /nfs/dbraw/zinc/00/82/33/608008233.db2.gz UWNGMAKVNDIDRA-FQEVSTJZSA-N -1 3 391.475 3.733 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3scnc3C3CC3)c2-c2nnn[n-]2)C1 ZINC000824970897 608024183 /nfs/dbraw/zinc/02/41/83/608024183.db2.gz YSTKJGBFDOOSNG-MRVPVSSYSA-N -1 3 386.506 3.639 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3scnc3C3CC3)c2-c2nn[n-]n2)C1 ZINC000824970897 608024184 /nfs/dbraw/zinc/02/41/84/608024184.db2.gz YSTKJGBFDOOSNG-MRVPVSSYSA-N -1 3 386.506 3.639 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824469837 608028570 /nfs/dbraw/zinc/02/85/70/608028570.db2.gz CYWFJURNUNBIQM-CYBMUJFWSA-N -1 3 397.429 3.834 20 0 GHADHM C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824469837 608028571 /nfs/dbraw/zinc/02/85/71/608028571.db2.gz CYWFJURNUNBIQM-CYBMUJFWSA-N -1 3 397.429 3.834 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCc2ccsc2C1 ZINC000826474102 608032403 /nfs/dbraw/zinc/03/24/03/608032403.db2.gz AGORPIWTVFANJU-UHFFFAOYSA-N -1 3 387.468 3.794 20 0 GHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCc2ccsc2C1 ZINC000826474102 608032404 /nfs/dbraw/zinc/03/24/04/608032404.db2.gz AGORPIWTVFANJU-UHFFFAOYSA-N -1 3 387.468 3.794 20 0 GHADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826475284 608041725 /nfs/dbraw/zinc/04/17/25/608041725.db2.gz BBXAYXIVJBCDIX-MRXNPFEDSA-N -1 3 396.882 3.543 20 0 GHADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826475284 608041726 /nfs/dbraw/zinc/04/17/26/608041726.db2.gz BBXAYXIVJBCDIX-MRXNPFEDSA-N -1 3 396.882 3.543 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)N1CCCCC1 ZINC000826473255 608046866 /nfs/dbraw/zinc/04/68/66/608046866.db2.gz QJKHWJRKARUJJT-UHFFFAOYSA-N -1 3 383.839 3.939 20 0 GHADHM O=C(c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)N1CCCCC1 ZINC000826473255 608046867 /nfs/dbraw/zinc/04/68/67/608046867.db2.gz QJKHWJRKARUJJT-UHFFFAOYSA-N -1 3 383.839 3.939 20 0 GHADHM O=C(NCC(F)(F)F)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826433080 608052676 /nfs/dbraw/zinc/05/26/76/608052676.db2.gz TUUFDWNDSMBAOV-UHFFFAOYSA-N -1 3 397.744 3.605 20 0 GHADHM O=C(NCC(F)(F)F)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826433080 608052677 /nfs/dbraw/zinc/05/26/77/608052677.db2.gz TUUFDWNDSMBAOV-UHFFFAOYSA-N -1 3 397.744 3.605 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000824255464 608059549 /nfs/dbraw/zinc/05/95/49/608059549.db2.gz KRVDFNHXJOPBNJ-UHFFFAOYSA-N -1 3 392.438 3.786 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000824255464 608059550 /nfs/dbraw/zinc/05/95/50/608059550.db2.gz KRVDFNHXJOPBNJ-UHFFFAOYSA-N -1 3 392.438 3.786 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271200 608084532 /nfs/dbraw/zinc/08/45/32/608084532.db2.gz IEIVYFOZUGHMEW-QFBILLFUSA-N -1 3 385.512 3.763 20 0 GHADHM CCCCCC[C@H](CC)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271200 608084533 /nfs/dbraw/zinc/08/45/33/608084533.db2.gz IEIVYFOZUGHMEW-QFBILLFUSA-N -1 3 385.512 3.763 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824763855 608104164 /nfs/dbraw/zinc/10/41/64/608104164.db2.gz PVDZCAAZLVBNCF-LLVKDONJSA-N -1 3 397.485 3.700 20 0 GHADHM C[C@@H](Sc1nc2ccccc2s1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824763855 608104165 /nfs/dbraw/zinc/10/41/65/608104165.db2.gz PVDZCAAZLVBNCF-LLVKDONJSA-N -1 3 397.485 3.700 20 0 GHADHM O=C(c1cc(F)c(Cl)cc1F)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826470081 608115766 /nfs/dbraw/zinc/11/57/66/608115766.db2.gz BFOQOZDRDIPMKH-UHFFFAOYSA-N -1 3 389.793 3.603 20 0 GHADHM O=C(c1cc(F)c(Cl)cc1F)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826470081 608115767 /nfs/dbraw/zinc/11/57/67/608115767.db2.gz BFOQOZDRDIPMKH-UHFFFAOYSA-N -1 3 389.793 3.603 20 0 GHADHM CC(C)c1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)no1 ZINC000824342008 608120245 /nfs/dbraw/zinc/12/02/45/608120245.db2.gz ICGAMYYQQVPXIL-UHFFFAOYSA-N -1 3 394.460 3.637 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000825705032 608173280 /nfs/dbraw/zinc/17/32/80/608173280.db2.gz UOSRCWTZPSPLLN-ZDUSSCGKSA-N -1 3 389.463 3.541 20 0 GHADHM CCc1ccc([C@H](C)C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000825705032 608173282 /nfs/dbraw/zinc/17/32/82/608173282.db2.gz UOSRCWTZPSPLLN-ZDUSSCGKSA-N -1 3 389.463 3.541 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000825787898 608177157 /nfs/dbraw/zinc/17/71/57/608177157.db2.gz LUEWGWWXGWLWKR-SFHVURJKSA-N -1 3 389.463 3.615 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000825787898 608177159 /nfs/dbraw/zinc/17/71/59/608177159.db2.gz LUEWGWWXGWLWKR-SFHVURJKSA-N -1 3 389.463 3.615 20 0 GHADHM C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824722140 608181794 /nfs/dbraw/zinc/18/17/94/608181794.db2.gz GQGDAYWZMCLGCE-ZDUSSCGKSA-N -1 3 380.452 3.566 20 0 GHADHM C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824722140 608181796 /nfs/dbraw/zinc/18/17/96/608181796.db2.gz GQGDAYWZMCLGCE-ZDUSSCGKSA-N -1 3 380.452 3.566 20 0 GHADHM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)c1ccco1 ZINC000826232175 608189197 /nfs/dbraw/zinc/18/91/97/608189197.db2.gz XOUXMQXHDQWMQV-GFCCVEGCSA-N -1 3 380.360 3.550 20 0 GHADHM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1ccco1 ZINC000826232175 608189199 /nfs/dbraw/zinc/18/91/99/608189199.db2.gz XOUXMQXHDQWMQV-GFCCVEGCSA-N -1 3 380.360 3.550 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)Cc1ccc(Cl)cc1 ZINC000824384579 608226416 /nfs/dbraw/zinc/22/64/16/608226416.db2.gz FCADKHPKKUXYRC-LBPRGKRZSA-N -1 3 387.846 3.544 20 0 GHADHM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)Cc1ccc(Cl)cc1 ZINC000824384579 608226417 /nfs/dbraw/zinc/22/64/17/608226417.db2.gz FCADKHPKKUXYRC-LBPRGKRZSA-N -1 3 387.846 3.544 20 0 GHADHM O[C@H](C[C@H]1CCCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000826503123 608230545 /nfs/dbraw/zinc/23/05/45/608230545.db2.gz RBMCURKVRVOLJQ-UYAOXDASSA-N -1 3 386.459 3.507 20 0 GHADHM O[C@H](C[C@H]1CCCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000826503123 608230547 /nfs/dbraw/zinc/23/05/47/608230547.db2.gz RBMCURKVRVOLJQ-UYAOXDASSA-N -1 3 386.459 3.507 20 0 GHADHM Fc1cccc([C@@H](Nc2c(F)cc(-c3nnn[n-]3)cc2F)c2ccccn2)c1 ZINC000826376989 608234422 /nfs/dbraw/zinc/23/44/22/608234422.db2.gz ZUTVRWFDWSWOIP-QGZVFWFLSA-N -1 3 382.349 3.881 20 0 GHADHM Fc1cccc([C@@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)c2ccccn2)c1 ZINC000826376989 608234424 /nfs/dbraw/zinc/23/44/24/608234424.db2.gz ZUTVRWFDWSWOIP-QGZVFWFLSA-N -1 3 382.349 3.881 20 0 GHADHM C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)Cc1ccc(Cl)cc1 ZINC000824385491 608259667 /nfs/dbraw/zinc/25/96/67/608259667.db2.gz VICDVVJSBCCUMR-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)Cc1ccc(Cl)cc1 ZINC000824385491 608259669 /nfs/dbraw/zinc/25/96/69/608259669.db2.gz VICDVVJSBCCUMR-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1F ZINC000826289279 608265163 /nfs/dbraw/zinc/26/51/63/608265163.db2.gz TWCQAPKPMQHADQ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1F ZINC000826289279 608265164 /nfs/dbraw/zinc/26/51/64/608265164.db2.gz TWCQAPKPMQHADQ-UHFFFAOYSA-N -1 3 398.398 3.829 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826453446 608267793 /nfs/dbraw/zinc/26/77/93/608267793.db2.gz KXKFHHKNZGNTQO-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000826453446 608267796 /nfs/dbraw/zinc/26/77/96/608267796.db2.gz KXKFHHKNZGNTQO-AWEZNQCLSA-N -1 3 383.839 3.666 20 0 GHADHM Cc1nc(SCC(=O)Nc2ccc(C3CC3)cc2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327792 608269998 /nfs/dbraw/zinc/26/99/98/608269998.db2.gz VFXRYYYPZFNQQA-UHFFFAOYSA-N -1 3 394.504 3.795 20 0 GHADHM Cc1nc(SCC(=O)Nc2ccc(C3CC3)cc2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327792 608269999 /nfs/dbraw/zinc/26/99/99/608269999.db2.gz VFXRYYYPZFNQQA-UHFFFAOYSA-N -1 3 394.504 3.795 20 0 GHADHM COc1cc(OC)c([C@@H](C)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000826181064 608282938 /nfs/dbraw/zinc/28/29/38/608282938.db2.gz JMPNVVBYDIZMCL-SNVBAGLBSA-N -1 3 391.834 3.527 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc2[nH]ccc2c1 ZINC000826440908 608306014 /nfs/dbraw/zinc/30/60/14/608306014.db2.gz FMVAWFHNNOBQHY-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1 ZINC000826440908 608306015 /nfs/dbraw/zinc/30/60/15/608306015.db2.gz FMVAWFHNNOBQHY-UHFFFAOYSA-N -1 3 394.438 3.945 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC[C@@H]1C ZINC000824956473 608312837 /nfs/dbraw/zinc/31/28/37/608312837.db2.gz RQDLCTVWHXIGOQ-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC[C@@H]1C ZINC000824956473 608312838 /nfs/dbraw/zinc/31/28/38/608312838.db2.gz RQDLCTVWHXIGOQ-HOTGVXAUSA-N -1 3 391.475 3.564 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc2ccccc2nc1C ZINC000826173852 608323137 /nfs/dbraw/zinc/32/31/37/608323137.db2.gz XYLFBFFXGREVTO-UHFFFAOYSA-N -1 3 378.461 3.560 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc2ccccc2nc1C ZINC000826173852 608323139 /nfs/dbraw/zinc/32/31/39/608323139.db2.gz XYLFBFFXGREVTO-UHFFFAOYSA-N -1 3 378.461 3.560 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825120017 608335544 /nfs/dbraw/zinc/33/55/44/608335544.db2.gz HKMKVYCOKGNQPN-INIZCTEOSA-N -1 3 397.504 3.873 20 0 GHADHM CC[C@@H](CSC)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825120017 608335546 /nfs/dbraw/zinc/33/55/46/608335546.db2.gz HKMKVYCOKGNQPN-INIZCTEOSA-N -1 3 397.504 3.873 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(F)c1F ZINC000824492103 608341698 /nfs/dbraw/zinc/34/16/98/608341698.db2.gz YIXMWFFGOCXNOH-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM C[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1cccc(F)c1F ZINC000824492103 608341699 /nfs/dbraw/zinc/34/16/99/608341699.db2.gz YIXMWFFGOCXNOH-GFCCVEGCSA-N -1 3 398.417 3.580 20 0 GHADHM CCN(C(=O)CCCOc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371332 608344937 /nfs/dbraw/zinc/34/49/37/608344937.db2.gz FIKIMVAWGZOLAB-UHFFFAOYSA-N -1 3 385.855 3.732 20 0 GHADHM CCN(C(=O)CCCOc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371332 608344939 /nfs/dbraw/zinc/34/49/39/608344939.db2.gz FIKIMVAWGZOLAB-UHFFFAOYSA-N -1 3 385.855 3.732 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc2ccccc2c1 ZINC000824633311 608423310 /nfs/dbraw/zinc/42/33/10/608423310.db2.gz KRBRBKKIOVFTPR-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc2ccccc2c1 ZINC000824633311 608423311 /nfs/dbraw/zinc/42/33/11/608423311.db2.gz KRBRBKKIOVFTPR-CQSZACIVSA-N -1 3 397.442 3.921 20 0 GHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1c(F)cccc1F ZINC000824613564 608433432 /nfs/dbraw/zinc/43/34/32/608433432.db2.gz VEJDTCSKWUTNOD-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1c(F)cccc1F ZINC000824613564 608433435 /nfs/dbraw/zinc/43/34/35/608433435.db2.gz VEJDTCSKWUTNOD-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000824347909 608458872 /nfs/dbraw/zinc/45/88/72/608458872.db2.gz SDEMTVPURDHLMI-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM CC(C)c1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000824347909 608458873 /nfs/dbraw/zinc/45/88/73/608458873.db2.gz SDEMTVPURDHLMI-AWEZNQCLSA-N -1 3 389.463 3.891 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1(Cc2ccccc2)CCC1 ZINC000826425418 608483896 /nfs/dbraw/zinc/48/38/96/608483896.db2.gz CGIRVLDLWWESOW-UHFFFAOYSA-N -1 3 399.498 3.895 20 0 GHADHM O=C(N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C1(Cc2ccccc2)CCC1 ZINC000826425418 608483898 /nfs/dbraw/zinc/48/38/98/608483898.db2.gz CGIRVLDLWWESOW-UHFFFAOYSA-N -1 3 399.498 3.895 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826305444 608486452 /nfs/dbraw/zinc/48/64/52/608486452.db2.gz WUEFWBQAGNQGQP-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826305444 608486454 /nfs/dbraw/zinc/48/64/54/608486454.db2.gz WUEFWBQAGNQGQP-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM O=C(c1ccc2c(c1)CCCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473954 608487260 /nfs/dbraw/zinc/48/72/60/608487260.db2.gz UUIFFZKNDQWYSS-UHFFFAOYSA-N -1 3 385.471 3.675 20 0 GHADHM O=C(c1ccc2c(c1)CCCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473954 608487261 /nfs/dbraw/zinc/48/72/61/608487261.db2.gz UUIFFZKNDQWYSS-UHFFFAOYSA-N -1 3 385.471 3.675 20 0 GHADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCc2cccc(F)c2C1 ZINC000826469144 608492170 /nfs/dbraw/zinc/49/21/70/608492170.db2.gz WCBBFYJKMYIHSY-UHFFFAOYSA-N -1 3 392.221 3.511 20 0 GHADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCc2cccc(F)c2C1 ZINC000826469144 608492171 /nfs/dbraw/zinc/49/21/71/608492171.db2.gz WCBBFYJKMYIHSY-UHFFFAOYSA-N -1 3 392.221 3.511 20 0 GHADHM COc1cc(Cl)c(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826179932 608525478 /nfs/dbraw/zinc/52/54/78/608525478.db2.gz LLIMVDDHUWUBOJ-UHFFFAOYSA-N -1 3 378.263 3.814 20 0 GHADHM Clc1ccc(-c2nc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)co2)cc1 ZINC000826351673 608528303 /nfs/dbraw/zinc/52/83/03/608528303.db2.gz VPNSGJYTTJHETB-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM Clc1ccc(-c2nc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)co2)cc1 ZINC000826351673 608528304 /nfs/dbraw/zinc/52/83/04/608528304.db2.gz VPNSGJYTTJHETB-UHFFFAOYSA-N -1 3 392.850 3.954 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OC(F)(F)F)c1-c1nnn[n-]1 ZINC000825687357 608543733 /nfs/dbraw/zinc/54/37/33/608543733.db2.gz HPYGHDYDCQPCRC-UHFFFAOYSA-N -1 3 397.382 3.950 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OC(F)(F)F)c1-c1nn[n-]n1 ZINC000825687357 608543735 /nfs/dbraw/zinc/54/37/35/608543735.db2.gz HPYGHDYDCQPCRC-UHFFFAOYSA-N -1 3 397.382 3.950 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1c(F)cccc1Cl ZINC000824632786 608553638 /nfs/dbraw/zinc/55/36/38/608553638.db2.gz DWDYCSOLSNCHJR-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1c(F)cccc1Cl ZINC000824632786 608553640 /nfs/dbraw/zinc/55/36/40/608553640.db2.gz DWDYCSOLSNCHJR-JTQLQIEISA-N -1 3 399.817 3.560 20 0 GHADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826373506 608569643 /nfs/dbraw/zinc/56/96/43/608569643.db2.gz OTYVMZVXAKFOIV-OAHLLOKOSA-N -1 3 383.324 3.928 20 0 GHADHM Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826373506 608569644 /nfs/dbraw/zinc/56/96/44/608569644.db2.gz OTYVMZVXAKFOIV-OAHLLOKOSA-N -1 3 383.324 3.928 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826455075 608572590 /nfs/dbraw/zinc/57/25/90/608572590.db2.gz XXCHRZNQLNKGHV-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455075 608572592 /nfs/dbraw/zinc/57/25/92/608572592.db2.gz XXCHRZNQLNKGHV-UHFFFAOYSA-N -1 3 383.717 3.671 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825006221 608576957 /nfs/dbraw/zinc/57/69/57/608576957.db2.gz GOEAGUGTKOBMHF-VFVRVIDISA-N -1 3 397.866 3.511 20 0 GHADHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825006221 608576959 /nfs/dbraw/zinc/57/69/59/608576959.db2.gz GOEAGUGTKOBMHF-VFVRVIDISA-N -1 3 397.866 3.511 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000826244102 608601188 /nfs/dbraw/zinc/60/11/88/608601188.db2.gz HCCSMMDZTUJRRF-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000826244102 608601190 /nfs/dbraw/zinc/60/11/90/608601190.db2.gz HCCSMMDZTUJRRF-UHFFFAOYSA-N -1 3 379.851 3.758 20 0 GHADHM Fc1c(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cccc1-c1nnn[n-]1 ZINC000826370604 608654834 /nfs/dbraw/zinc/65/48/34/608654834.db2.gz AMGFWWDEXOGOTO-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM Fc1c(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cccc1-c1nn[n-]n1 ZINC000826370604 608654837 /nfs/dbraw/zinc/65/48/37/608654837.db2.gz AMGFWWDEXOGOTO-LJQANCHMSA-N -1 3 394.841 3.933 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825012090 608825511 /nfs/dbraw/zinc/82/55/11/608825511.db2.gz DHKJYNPMOIUEQH-MFCDUJOTSA-N -1 3 377.423 3.553 20 0 GHADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825012090 608825514 /nfs/dbraw/zinc/82/55/14/608825514.db2.gz DHKJYNPMOIUEQH-MFCDUJOTSA-N -1 3 377.423 3.553 20 0 GHADHM Cc1cc(C)cc(C2=CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC000826264048 608828976 /nfs/dbraw/zinc/82/89/76/608828976.db2.gz AGYPPUKTXMAQQY-UHFFFAOYSA-N -1 3 395.413 3.691 20 0 GHADHM Cc1cc(C)cc(C2=CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000826264048 608828979 /nfs/dbraw/zinc/82/89/79/608828979.db2.gz AGYPPUKTXMAQQY-UHFFFAOYSA-N -1 3 395.413 3.691 20 0 GHADHM Clc1cccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1Cl ZINC000826353350 608854915 /nfs/dbraw/zinc/85/49/15/608854915.db2.gz LUHAGYOWTSFSFT-MRXNPFEDSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1cccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1Cl ZINC000826353350 608854916 /nfs/dbraw/zinc/85/49/16/608854916.db2.gz LUHAGYOWTSFSFT-MRXNPFEDSA-N -1 3 390.274 3.747 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824315166 608859124 /nfs/dbraw/zinc/85/91/24/608859124.db2.gz MDYPNJJDORAEGX-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824315166 608859128 /nfs/dbraw/zinc/85/91/28/608859128.db2.gz MDYPNJJDORAEGX-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CCCCOc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(C)c1 ZINC000825291178 608859428 /nfs/dbraw/zinc/85/94/28/608859428.db2.gz NGHRJJHBZVTBRG-UHFFFAOYSA-N -1 3 377.452 3.614 20 0 GHADHM CCCCOc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)c1 ZINC000825291178 608859431 /nfs/dbraw/zinc/85/94/31/608859431.db2.gz NGHRJJHBZVTBRG-UHFFFAOYSA-N -1 3 377.452 3.614 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826335110 608865849 /nfs/dbraw/zinc/86/58/49/608865849.db2.gz YRRXXJRAQGPDKE-UHFFFAOYSA-N -1 3 397.845 3.825 20 0 GHADHM Cc1nn(Cc2ccccc2)c(Cl)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334708 608868338 /nfs/dbraw/zinc/86/83/38/608868338.db2.gz GIZRZNCQENJULZ-UHFFFAOYSA-N -1 3 379.855 3.685 20 0 GHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000826291691 609182187 /nfs/dbraw/zinc/18/21/87/609182187.db2.gz RCYMVPBCAMYYNJ-YJBOKZPZSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000826291691 609182188 /nfs/dbraw/zinc/18/21/88/609182188.db2.gz RCYMVPBCAMYYNJ-YJBOKZPZSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826277408 609232938 /nfs/dbraw/zinc/23/29/38/609232938.db2.gz SXBBMCWIVWUFRU-GFCCVEGCSA-N -1 3 383.839 3.676 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000826277408 609232939 /nfs/dbraw/zinc/23/29/39/609232939.db2.gz SXBBMCWIVWUFRU-GFCCVEGCSA-N -1 3 383.839 3.676 20 0 GHADHM CCc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000825704195 609242492 /nfs/dbraw/zinc/24/24/92/609242492.db2.gz DFTCWMARUCXSPE-OAHLLOKOSA-N -1 3 392.507 3.563 20 0 GHADHM CCc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000825704195 609242494 /nfs/dbraw/zinc/24/24/94/609242494.db2.gz DFTCWMARUCXSPE-OAHLLOKOSA-N -1 3 392.507 3.563 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1ccc(CF)cc1 ZINC000826166864 609267596 /nfs/dbraw/zinc/26/75/96/609267596.db2.gz FJONEVTXTMOLKH-UHFFFAOYSA-N -1 3 393.216 3.686 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1ccc(CF)cc1 ZINC000826166864 609267597 /nfs/dbraw/zinc/26/75/97/609267597.db2.gz FJONEVTXTMOLKH-UHFFFAOYSA-N -1 3 393.216 3.686 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824991839 609276099 /nfs/dbraw/zinc/27/60/99/609276099.db2.gz HOHQUWSFGVKUBP-OAGGEKHMSA-N -1 3 378.480 3.653 20 0 GHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824991839 609276101 /nfs/dbraw/zinc/27/61/01/609276101.db2.gz HOHQUWSFGVKUBP-OAGGEKHMSA-N -1 3 378.480 3.653 20 0 GHADHM Cc1c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cccc1N1CCOC1=O ZINC000826242358 609279861 /nfs/dbraw/zinc/27/98/61/609279861.db2.gz LOWKFPYBTQURJM-GOSISDBHSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cccc1N1CCOC1=O ZINC000826242358 609279863 /nfs/dbraw/zinc/27/98/63/609279863.db2.gz LOWKFPYBTQURJM-GOSISDBHSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826290624 609280352 /nfs/dbraw/zinc/28/03/52/609280352.db2.gz SIKZUIJGPVVJDQ-GOSISDBHSA-N -1 3 390.447 3.621 20 0 GHADHM Cc1ccc(N2CCOC2=O)cc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826290624 609280353 /nfs/dbraw/zinc/28/03/53/609280353.db2.gz SIKZUIJGPVVJDQ-GOSISDBHSA-N -1 3 390.447 3.621 20 0 GHADHM COc1ccccc1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826220169 609302597 /nfs/dbraw/zinc/30/25/97/609302597.db2.gz FALGOWDBRJXNNC-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccccc1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826220169 609302599 /nfs/dbraw/zinc/30/25/99/609302599.db2.gz FALGOWDBRJXNNC-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM Cc1nnc(SCc2c(Cl)ccc3cccnc32)c(-c2nnn[n-]2)c1C ZINC000826337334 609306278 /nfs/dbraw/zinc/30/62/78/609306278.db2.gz KXFSVBZACDKIOT-UHFFFAOYSA-N -1 3 383.868 3.767 20 0 GHADHM Cc1nnc(SCc2c(Cl)ccc3cccnc32)c(-c2nn[n-]n2)c1C ZINC000826337334 609306279 /nfs/dbraw/zinc/30/62/79/609306279.db2.gz KXFSVBZACDKIOT-UHFFFAOYSA-N -1 3 383.868 3.767 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824288241 609313861 /nfs/dbraw/zinc/31/38/61/609313861.db2.gz BDGKXDBQNDFKOZ-UHFFFAOYSA-N -1 3 377.448 3.920 20 0 GHADHM CC(C)N(CC1CC1)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824288241 609313863 /nfs/dbraw/zinc/31/38/63/609313863.db2.gz BDGKXDBQNDFKOZ-UHFFFAOYSA-N -1 3 377.448 3.920 20 0 GHADHM Cc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826292384 609340688 /nfs/dbraw/zinc/34/06/88/609340688.db2.gz SUHDOUVLTIDGON-LLVKDONJSA-N -1 3 377.370 3.766 20 0 GHADHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824604372 609342343 /nfs/dbraw/zinc/34/23/43/609342343.db2.gz BRADFYYIGNRMKW-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604372 609342344 /nfs/dbraw/zinc/34/23/44/609342344.db2.gz BRADFYYIGNRMKW-SECBINFHSA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658026 609347475 /nfs/dbraw/zinc/34/74/75/609347475.db2.gz UHNMYAZBDTVTJI-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658026 609347476 /nfs/dbraw/zinc/34/74/76/609347476.db2.gz UHNMYAZBDTVTJI-SUMWQHHRSA-N -1 3 383.427 3.737 20 0 GHADHM CCc1cnc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)o1 ZINC000825735387 609352562 /nfs/dbraw/zinc/35/25/62/609352562.db2.gz RTIHCXWKWFHKCR-UHFFFAOYSA-N -1 3 391.387 3.566 20 0 GHADHM CCc1cnc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)o1 ZINC000825735387 609352566 /nfs/dbraw/zinc/35/25/66/609352566.db2.gz RTIHCXWKWFHKCR-UHFFFAOYSA-N -1 3 391.387 3.566 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CCO1 ZINC000825183777 609370344 /nfs/dbraw/zinc/37/03/44/609370344.db2.gz PSPGDAAHRXSANS-YNEHKIRRSA-N -1 3 389.525 3.587 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CCO1 ZINC000825183777 609370346 /nfs/dbraw/zinc/37/03/46/609370346.db2.gz PSPGDAAHRXSANS-YNEHKIRRSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000824255207 609377729 /nfs/dbraw/zinc/37/77/29/609377729.db2.gz CJMYSUARHYHXCH-UYAOXDASSA-N -1 3 399.539 3.693 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000824255207 609377732 /nfs/dbraw/zinc/37/77/32/609377732.db2.gz CJMYSUARHYHXCH-UYAOXDASSA-N -1 3 399.539 3.693 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H]1F ZINC000824948307 609380576 /nfs/dbraw/zinc/38/05/76/609380576.db2.gz TUXOKPSKHRNXEL-FZKQIMNGSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@H]1F ZINC000824948307 609380578 /nfs/dbraw/zinc/38/05/78/609380578.db2.gz TUXOKPSKHRNXEL-FZKQIMNGSA-N -1 3 396.426 3.871 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366862 609396622 /nfs/dbraw/zinc/39/66/22/609396622.db2.gz HCJQXBLCDHAKNJ-DYVFJYSZSA-N -1 3 391.903 3.714 20 0 GHADHM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366862 609396624 /nfs/dbraw/zinc/39/66/24/609396624.db2.gz HCJQXBLCDHAKNJ-DYVFJYSZSA-N -1 3 391.903 3.714 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C[C@H]1F ZINC000824956964 609398828 /nfs/dbraw/zinc/39/88/28/609398828.db2.gz UWYAMYGIQTWWSO-XJKSGUPXSA-N -1 3 397.479 3.838 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C[C@H]1F ZINC000824956964 609398829 /nfs/dbraw/zinc/39/88/29/609398829.db2.gz UWYAMYGIQTWWSO-XJKSGUPXSA-N -1 3 397.479 3.838 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000826185204 609406222 /nfs/dbraw/zinc/40/62/22/609406222.db2.gz BYMAVKIDQBLALC-UHFFFAOYSA-N -1 3 396.451 3.835 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000826185204 609406225 /nfs/dbraw/zinc/40/62/25/609406225.db2.gz BYMAVKIDQBLALC-UHFFFAOYSA-N -1 3 396.451 3.835 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)[C@H]2C ZINC000826212376 609426693 /nfs/dbraw/zinc/42/66/93/609426693.db2.gz OQDHMOGWEVQUSO-NEPJUHHUSA-N -1 3 397.866 3.677 20 0 GHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)[C@H]2C ZINC000826212376 609426694 /nfs/dbraw/zinc/42/66/94/609426694.db2.gz OQDHMOGWEVQUSO-NEPJUHHUSA-N -1 3 397.866 3.677 20 0 GHADHM CC(C)Oc1ccc(NCc2ccn(-c3ccc(F)cc3)n2)cc1-c1nnn[n-]1 ZINC000824329822 609439685 /nfs/dbraw/zinc/43/96/85/609439685.db2.gz WJOOMHMHWNACNW-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CC(C)Oc1ccc(NCc2ccn(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000824329822 609439686 /nfs/dbraw/zinc/43/96/86/609439686.db2.gz WJOOMHMHWNACNW-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)nn1-c1cccc(Cl)c1 ZINC000826271151 609481539 /nfs/dbraw/zinc/48/15/39/609481539.db2.gz FSNDBDWPXQOQMA-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)nn1-c1cccc(Cl)c1 ZINC000826271151 609481540 /nfs/dbraw/zinc/48/15/40/609481540.db2.gz FSNDBDWPXQOQMA-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Fc1cc(NCc2cscn2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826373051 609484043 /nfs/dbraw/zinc/48/40/43/609484043.db2.gz XVUHTNXALZNTOT-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM Fc1cc(NCc2cscn2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826373051 609484046 /nfs/dbraw/zinc/48/40/46/609484046.db2.gz XVUHTNXALZNTOT-UHFFFAOYSA-N -1 3 382.424 3.653 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000826117561 609487356 /nfs/dbraw/zinc/48/73/56/609487356.db2.gz NFDZVSFOJYPSOO-CQSZACIVSA-N -1 3 396.806 3.805 20 0 GHADHM COC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000826117561 609487359 /nfs/dbraw/zinc/48/73/59/609487359.db2.gz NFDZVSFOJYPSOO-CQSZACIVSA-N -1 3 396.806 3.805 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@@H](C)c2ccc(OC)cc2)cc1-c1nnn[n-]1 ZINC000825553039 609488539 /nfs/dbraw/zinc/48/85/39/609488539.db2.gz JGRISFHLCRCUAU-CYBMUJFWSA-N -1 3 396.451 3.659 20 0 GHADHM CCOC(=O)Nc1ccc(NC[C@@H](C)c2ccc(OC)cc2)cc1-c1nn[n-]n1 ZINC000825553039 609488541 /nfs/dbraw/zinc/48/85/41/609488541.db2.gz JGRISFHLCRCUAU-CYBMUJFWSA-N -1 3 396.451 3.659 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCO1 ZINC000825182895 609531945 /nfs/dbraw/zinc/53/19/45/609531945.db2.gz MDOLPLPOBUJQLI-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM CC[C@H]1C[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCO1 ZINC000825182895 609531947 /nfs/dbraw/zinc/53/19/47/609531947.db2.gz MDOLPLPOBUJQLI-STQMWFEESA-N -1 3 389.525 3.731 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826237432 609542199 /nfs/dbraw/zinc/54/21/99/609542199.db2.gz ZJGSGMDRTCOIIF-MAUKXSAKSA-N -1 3 398.898 3.828 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826237432 609542200 /nfs/dbraw/zinc/54/22/00/609542200.db2.gz ZJGSGMDRTCOIIF-MAUKXSAKSA-N -1 3 398.898 3.828 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](COCC(C)C)c2ccco2)c1-c1nnn[n-]1 ZINC000826238764 609545440 /nfs/dbraw/zinc/54/54/40/609545440.db2.gz OZJNPBODHVRDPE-ZDUSSCGKSA-N -1 3 376.848 3.642 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](COCC(C)C)c2ccco2)c1-c1nn[n-]n1 ZINC000826238764 609545442 /nfs/dbraw/zinc/54/54/42/609545442.db2.gz OZJNPBODHVRDPE-ZDUSSCGKSA-N -1 3 376.848 3.642 20 0 GHADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000825148737 609562921 /nfs/dbraw/zinc/56/29/21/609562921.db2.gz SUWSZWILLKLMRJ-ZDUSSCGKSA-N -1 3 386.843 3.558 20 0 GHADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000825148737 609562925 /nfs/dbraw/zinc/56/29/25/609562925.db2.gz SUWSZWILLKLMRJ-ZDUSSCGKSA-N -1 3 386.843 3.558 20 0 GHADHM Cc1ccnc(N[C@H](c2cccc(Cl)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826311707 609577681 /nfs/dbraw/zinc/57/76/81/609577681.db2.gz LPFGWZPRZWYTMU-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1ccnc(N[C@H](c2cccc(Cl)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826311707 609577682 /nfs/dbraw/zinc/57/76/82/609577682.db2.gz LPFGWZPRZWYTMU-QGZVFWFLSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238251 609580453 /nfs/dbraw/zinc/58/04/53/609580453.db2.gz AOLGPZNZUTYYOB-XJKSGUPXSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238251 609580455 /nfs/dbraw/zinc/58/04/55/609580455.db2.gz AOLGPZNZUTYYOB-XJKSGUPXSA-N -1 3 384.871 3.803 20 0 GHADHM Cc1ccnc(N2CCC[C@@H](COc3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826310257 609581067 /nfs/dbraw/zinc/58/10/67/609581067.db2.gz PYSVPSRZPILFJN-CQSZACIVSA-N -1 3 384.871 3.519 20 0 GHADHM Cc1ccnc(N2CCC[C@@H](COc3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826310257 609581068 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HYFLFMCNOLHHSA-SSXHNJQXSA-N -1 3 388.475 3.815 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488997 609595091 /nfs/dbraw/zinc/59/50/91/609595091.db2.gz HYFLFMCNOLHHSA-SSXHNJQXSA-N -1 3 388.475 3.815 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826452005 609606935 /nfs/dbraw/zinc/60/69/35/609606935.db2.gz FELSVGNKTAQQQU-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826452005 609606936 /nfs/dbraw/zinc/60/69/36/609606936.db2.gz FELSVGNKTAQQQU-ZDUSSCGKSA-N -1 3 398.295 3.570 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826401325 609613465 /nfs/dbraw/zinc/61/34/65/609613465.db2.gz VMWAVIOZSXHJRC-MDZDMXLPSA-N -1 3 391.818 3.825 20 0 GHADHM O=C(C=Cc1ccc2ccccc2n1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826401325 609613466 /nfs/dbraw/zinc/61/34/66/609613466.db2.gz VMWAVIOZSXHJRC-MDZDMXLPSA-N -1 3 391.818 3.825 20 0 GHADHM O=C(CCc1c[nH]c2ccccc12)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826407991 609617702 /nfs/dbraw/zinc/61/77/02/609617702.db2.gz LMFVUJCDNDUSRN-UHFFFAOYSA-N -1 3 381.823 3.677 20 0 GHADHM O=C(CCc1c[nH]c2ccccc12)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826407991 609617704 /nfs/dbraw/zinc/61/77/04/609617704.db2.gz LMFVUJCDNDUSRN-UHFFFAOYSA-N -1 3 381.823 3.677 20 0 GHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c1 ZINC000176496953 837401069 /nfs/dbraw/zinc/40/10/69/837401069.db2.gz ALOFAGIXKXRHEP-UHFFFAOYSA-N -1 3 375.490 3.916 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000173274462 837675225 /nfs/dbraw/zinc/67/52/25/837675225.db2.gz DGGVBJFINSFJGH-OAQYLSRUSA-N -1 3 397.434 3.902 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(CCO)CC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000547618250 834376278 /nfs/dbraw/zinc/37/62/78/834376278.db2.gz IEOVWVMGSGFIBD-UHFFFAOYSA-N -1 3 384.480 3.564 20 0 GHADHM O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000170706170 834617598 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Cc1nc(CCNCc2c(Cl)cccc2OC(F)F)sc1C(=O)[O-] ZINC000683170590 834903688 /nfs/dbraw/zinc/90/36/88/834903688.db2.gz GFYFJWPKWYXZTO-UHFFFAOYSA-N -1 3 376.812 3.737 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC001211595285 834912546 /nfs/dbraw/zinc/91/25/46/834912546.db2.gz SSSXVZOMEROASR-CKNGIIGNSA-N -1 3 378.604 3.856 20 0 GHADHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC001211595288 834913419 /nfs/dbraw/zinc/91/34/19/834913419.db2.gz SSSXVZOMEROASR-VBURHUQHSA-N -1 3 378.604 3.856 20 0 GHADHM CC(C)C[C@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC(=O)[O-] ZINC000683175871 834924428 /nfs/dbraw/zinc/92/44/28/834924428.db2.gz CAUNUJAIQPZFHD-LBPRGKRZSA-N -1 3 385.295 3.801 20 0 GHADHM Cc1nc(CC(C)C)sc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511277691 834952535 /nfs/dbraw/zinc/95/25/35/834952535.db2.gz NXLUSPYCTBWWQP-UHFFFAOYSA-N -1 3 393.310 3.734 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000512970118 844037810 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O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]nc1-c1ccccc1F ZINC000151526453 835492289 /nfs/dbraw/zinc/49/22/89/835492289.db2.gz OROZLZRHUQWIDL-UHFFFAOYSA-N -1 3 390.212 3.614 20 0 GHADHM COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151558209 835525047 /nfs/dbraw/zinc/52/50/47/835525047.db2.gz CNYZBMBNMKWKIB-HUUCEWRRSA-N -1 3 376.250 3.583 20 0 GHADHM COc1ccc2c(CC(=O)NCc3ccc([O-])c(Br)c3)coc2c1 ZINC000151618680 835663450 /nfs/dbraw/zinc/66/34/50/835663450.db2.gz PDHBIBFDPDCKEZ-UHFFFAOYSA-N -1 3 390.233 3.768 20 0 GHADHM COc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)cc(OC)c1[O-] ZINC000179600577 835683525 /nfs/dbraw/zinc/68/35/25/835683525.db2.gz GNAIMQAPWSNUSG-UHFFFAOYSA-N -1 3 384.457 3.505 20 0 GHADHM COCCCOc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151649896 835688174 /nfs/dbraw/zinc/68/81/74/835688174.db2.gz IXFWUCOEOWIUIB-UHFFFAOYSA-N -1 3 394.265 3.500 20 0 GHADHM O=S(=O)([N-]c1cc([C@@H]2CCCOC2)n[nH]1)c1ccc(Cl)c2ccccc21 ZINC000584148051 835694420 /nfs/dbraw/zinc/69/44/20/835694420.db2.gz CPPDVDNQDZAZPH-GFCCVEGCSA-N -1 3 391.880 3.911 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(Cl)ccc1C(F)(F)F ZINC000509876582 844080975 /nfs/dbraw/zinc/08/09/75/844080975.db2.gz FPGZWXDTWJQIEY-APHBMKBZSA-N -1 3 387.810 3.975 20 0 GHADHM O=c1[n-]nc(SCc2ccc(Br)s2)n1CCc1ccccc1 ZINC000109263868 835744489 /nfs/dbraw/zinc/74/44/89/835744489.db2.gz LMRCNSMSDZQUSI-UHFFFAOYSA-N -1 3 396.335 3.930 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000584210301 835763340 /nfs/dbraw/zinc/76/33/40/835763340.db2.gz JXWSARFAUJJTJW-QZMQVMSPSA-N -1 3 397.471 3.983 20 0 GHADHM C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC000255014513 835865189 /nfs/dbraw/zinc/86/51/89/835865189.db2.gz XDHCYLVMCQYKSM-HHQWOOOKSA-N -1 3 379.457 3.908 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Cl)cc1C(F)(F)F ZINC000246027361 835901549 /nfs/dbraw/zinc/90/15/49/835901549.db2.gz PAGZDSJWNAJMOA-UHTWSYAYSA-N -1 3 383.819 3.595 20 0 GHADHM CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1[O-] ZINC000120057992 835942167 /nfs/dbraw/zinc/94/21/67/835942167.db2.gz OLRWYDYWPRXAQE-UHFFFAOYSA-N -1 3 380.366 3.900 20 0 GHADHM Cc1ncsc1CN1CCC2(CN(Cc3ccc(Cl)cc3C(=O)[O-])C2)C1 ZINC001279109217 836067066 /nfs/dbraw/zinc/06/70/66/836067066.db2.gz AFKCCDZDRQQGGH-UHFFFAOYSA-N -1 3 391.924 3.511 20 0 GHADHM CSc1nc(NC(=O)Cc2csc3ccc(Br)cc23)n[n-]1 ZINC000471967008 844139970 /nfs/dbraw/zinc/13/99/70/844139970.db2.gz PZUBATSAQCBNAE-UHFFFAOYSA-N -1 3 383.296 3.685 20 0 GHADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000584482174 836275040 /nfs/dbraw/zinc/27/50/40/836275040.db2.gz JKVONULNVDBKDL-NSHDSACASA-N -1 3 386.249 3.915 20 0 GHADHM CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000030713009 836278295 /nfs/dbraw/zinc/27/82/95/836278295.db2.gz PPUCRCIEDUMEQJ-UHFFFAOYSA-N -1 3 376.478 3.933 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000570057583 836333519 /nfs/dbraw/zinc/33/35/19/836333519.db2.gz VQIMAMOKCYUDEL-AEFFLSMTSA-N -1 3 386.879 3.618 20 0 GHADHM CC(=O)c1cccc(NC(=O)CCCCCNC(=O)NC2CCCCC2)c1[O-] ZINC000570127720 836436434 /nfs/dbraw/zinc/43/64/34/836436434.db2.gz ALIDLLSZNSNIQK-UHFFFAOYSA-N -1 3 389.496 3.726 20 0 GHADHM O=C(c1ccccc1NCc1ccccc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000570200059 836529557 /nfs/dbraw/zinc/52/95/57/836529557.db2.gz YUVVAMHOIUWOKI-UHFFFAOYSA-N -1 3 394.862 3.646 20 0 GHADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccc2ccccc2c1 ZINC000177447617 836556831 /nfs/dbraw/zinc/55/68/31/836556831.db2.gz XEQXFSYOZMRMLC-UHFFFAOYSA-N -1 3 386.448 3.554 20 0 GHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000612702564 836622422 /nfs/dbraw/zinc/62/24/22/836622422.db2.gz OXKBUYUFQAMQSX-JTQLQIEISA-N -1 3 396.394 3.764 20 0 GHADHM CCn1c(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])nc2ccccc21 ZINC000093277193 836628014 /nfs/dbraw/zinc/62/80/14/836628014.db2.gz IYCRBNNVVIYNPN-UHFFFAOYSA-N -1 3 387.867 3.590 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C[C@H](C)c2ccc(Br)cc2)n1 ZINC000636111796 836696697 /nfs/dbraw/zinc/69/66/97/836696697.db2.gz VSOAAAWPMNYJEX-NSHDSACASA-N -1 3 392.297 3.798 20 0 GHADHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1cccc2cnccc21 ZINC000175318887 836768500 /nfs/dbraw/zinc/76/85/00/836768500.db2.gz HKOIHOLABLZGCN-UHFFFAOYSA-N -1 3 383.333 3.794 20 0 GHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000414263703 836812831 /nfs/dbraw/zinc/81/28/31/836812831.db2.gz SPMKGKZSGHRPHC-AFNXNYLOSA-N -1 3 386.395 3.968 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000511395512 836954177 /nfs/dbraw/zinc/95/41/77/836954177.db2.gz CYOBYEJDZFLUSW-UHFFFAOYSA-N -1 3 393.310 3.734 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)sc1Br ZINC000548985350 837218980 /nfs/dbraw/zinc/21/89/80/837218980.db2.gz QXPICQMVIQYUSL-QWRGUYRKSA-N -1 3 396.372 3.691 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1Cl ZINC000328662567 837267673 /nfs/dbraw/zinc/26/76/73/837267673.db2.gz AUCZDYINQLQSIN-VCTAVGKDSA-N -1 3 376.305 3.538 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H](C)C2)cc1Cl ZINC000186634066 837323533 /nfs/dbraw/zinc/32/35/33/837323533.db2.gz RNMIKVZIDIYFIK-JBLDHEPKSA-N -1 3 376.881 3.541 20 0 GHADHM O=C(Cc1ccc(SC2CC2)cc1)OCc1nnc(-c2ccccc2[O-])o1 ZINC000923766859 838080451 /nfs/dbraw/zinc/08/04/51/838080451.db2.gz FMUZOBKEMLZJQB-UHFFFAOYSA-N -1 3 382.441 3.983 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccsc1 ZINC000655860855 838089175 /nfs/dbraw/zinc/08/91/75/838089175.db2.gz IZAOZCQNLRUVCQ-XBVQOTNRSA-N -1 3 395.569 3.566 20 0 GHADHM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC000431853507 838177972 /nfs/dbraw/zinc/17/79/72/838177972.db2.gz IKQVSGBEJVXBMI-QGZVFWFLSA-N -1 3 381.798 3.665 20 0 GHADHM CCCCS[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000609191770 838263500 /nfs/dbraw/zinc/26/35/00/838263500.db2.gz ROZYBRBHJOAVEU-JTQLQIEISA-N -1 3 398.472 3.937 20 0 GHADHM COc1ccc([C@H](O)CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000725884284 838335929 /nfs/dbraw/zinc/33/59/29/838335929.db2.gz PRGMAIYLGROUIR-HSZRJFAPSA-N -1 3 391.467 3.649 20 0 GHADHM CC(C)C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)CC(=O)[O-] ZINC000659398568 838356983 /nfs/dbraw/zinc/35/69/83/838356983.db2.gz VHDWWNKPFSNZLB-AZUAARDMSA-N -1 3 389.540 3.650 20 0 GHADHM Cc1oc(-c2cccs2)nc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782918473 838375903 /nfs/dbraw/zinc/37/59/03/838375903.db2.gz IHUXYGSZXMDCTI-UHFFFAOYSA-N -1 3 383.385 3.824 20 0 GHADHM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000188023803 838396551 /nfs/dbraw/zinc/39/65/51/838396551.db2.gz LDXXCRIGNMNXDE-HHHXNRCGSA-N -1 3 376.441 3.518 20 0 GHADHM CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000275707630 838453001 /nfs/dbraw/zinc/45/30/01/838453001.db2.gz NWFMESASNOZVLY-FQEVSTJZSA-N -1 3 398.528 3.806 20 0 GHADHM CC[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cccs1 ZINC000179443639 838543548 /nfs/dbraw/zinc/54/35/48/838543548.db2.gz WOJAYGBXVAEXBW-HNNXBMFYSA-N -1 3 385.445 3.884 20 0 GHADHM Cc1cc([C@@H](C)NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c(C)o1 ZINC000179458495 838544302 /nfs/dbraw/zinc/54/43/02/838544302.db2.gz LKNZISJULJLPFB-LLVKDONJSA-N -1 3 383.404 3.642 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nc(C(F)(F)F)cs1 ZINC000683764763 838604825 /nfs/dbraw/zinc/60/48/25/838604825.db2.gz WRCYAAJJIJYZCK-QMMMGPOBSA-N -1 3 376.381 3.948 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)cc(=O)[n-]1 ZINC000509901182 844351754 /nfs/dbraw/zinc/35/17/54/844351754.db2.gz KQQYRJJRCACXRV-UHFFFAOYSA-N -1 3 392.415 3.550 20 0 GHADHM CCn1cc(C2CCN([C@@H](C(=O)[O-])c3ccccc3Br)CC2)cn1 ZINC000659786930 838668875 /nfs/dbraw/zinc/66/88/75/838668875.db2.gz QFUAQHUBASYXGD-QGZVFWFLSA-N -1 3 392.297 3.671 20 0 GHADHM CC[C@H](CC(F)F)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000659790079 838669763 /nfs/dbraw/zinc/66/97/63/838669763.db2.gz WLYMYSGAKINITD-YGRLFVJLSA-N -1 3 376.241 3.942 20 0 GHADHM COc1c(Br)cc(Br)cc1CN(C)CCCC(=O)[O-] ZINC000414635902 838712276 /nfs/dbraw/zinc/71/22/76/838712276.db2.gz ITLRUNUFSIPJMF-UHFFFAOYSA-N -1 3 395.091 3.517 20 0 GHADHM Cc1ccnc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182898601 838851109 /nfs/dbraw/zinc/85/11/09/838851109.db2.gz SIKZOZWKKGBOHJ-IBGZPJMESA-N -1 3 375.428 3.596 20 0 GHADHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000182904547 838856394 /nfs/dbraw/zinc/85/63/94/838856394.db2.gz VGZHFYBRMZJGMD-HRAATJIYSA-N -1 3 389.455 3.526 20 0 GHADHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccnc1 ZINC000182904535 838856588 /nfs/dbraw/zinc/85/65/88/838856588.db2.gz VGZHFYBRMZJGMD-IERDGZPVSA-N -1 3 389.455 3.526 20 0 GHADHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893203415 838860859 /nfs/dbraw/zinc/86/08/59/838860859.db2.gz DAZHJYQKUFHDNI-UHFFFAOYSA-N -1 3 384.436 3.655 20 0 GHADHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H]1CC1(C)C ZINC000416279313 838875852 /nfs/dbraw/zinc/87/58/52/838875852.db2.gz SWJJOMVKTHHKNI-DZGCQCFKSA-N -1 3 393.484 3.509 20 0 GHADHM Cc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000183125634 838907481 /nfs/dbraw/zinc/90/74/81/838907481.db2.gz HYRLBPMXPYGOJV-JOCHJYFZSA-N -1 3 388.467 3.878 20 0 GHADHM CCN(Cc1ccccc1)c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC000893212898 838928987 /nfs/dbraw/zinc/92/89/87/838928987.db2.gz JFBXFSYFSUGBTD-UHFFFAOYSA-N -1 3 388.471 3.802 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000377139658 839022916 /nfs/dbraw/zinc/02/29/16/839022916.db2.gz JVDUMFUEDUUMFU-FQEVSTJZSA-N -1 3 393.409 3.777 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000569330128 839084193 /nfs/dbraw/zinc/08/41/93/839084193.db2.gz IZQPKDSHCBPXSY-IBGZPJMESA-N -1 3 376.815 3.715 20 0 GHADHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000544101757 839095269 /nfs/dbraw/zinc/09/52/69/839095269.db2.gz YUYZZDXAGXJABC-GHMZBOCLSA-N -1 3 396.734 3.586 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1OC)c1nc(C)cs1 ZINC000416381477 839097778 /nfs/dbraw/zinc/09/77/78/839097778.db2.gz CEICNKNEAYJNEM-LLVKDONJSA-N -1 3 390.914 3.552 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)[C@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000419371941 844400135 /nfs/dbraw/zinc/40/01/35/844400135.db2.gz LSKUIWIHGGXKFD-UKJIMTQDSA-N -1 3 377.510 3.507 20 0 GHADHM O=c1[n-]nc(SCc2cncc(C(F)(F)F)c2)n1CCc1ccccc1 ZINC000460868772 839116535 /nfs/dbraw/zinc/11/65/35/839116535.db2.gz CVQSQJHKKLVMSO-UHFFFAOYSA-N -1 3 380.395 3.933 20 0 GHADHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000613706018 839119073 /nfs/dbraw/zinc/11/90/73/839119073.db2.gz ZWEHVIOAJOWCMN-UHFFFAOYSA-N -1 3 398.278 3.589 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)nnn1-c1cccc(C)c1 ZINC000614391284 844414077 /nfs/dbraw/zinc/41/40/77/844414077.db2.gz GVBWJMOQWYZGNM-UHFFFAOYSA-N -1 3 376.445 3.655 20 0 GHADHM CC(C)c1ccc(-c2noc(CCC(=O)Nc3n[n-]c(-c4ccco4)n3)n2)cc1 ZINC000128117198 839239318 /nfs/dbraw/zinc/23/93/18/839239318.db2.gz XVUAKOGIJBKMAP-UHFFFAOYSA-N -1 3 392.419 3.809 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC2(CCOCC2)O1 ZINC000548076945 839242216 /nfs/dbraw/zinc/24/22/16/839242216.db2.gz WKOXWYJZPCRNLH-GOSISDBHSA-N -1 3 395.499 3.588 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000049239915 839309325 /nfs/dbraw/zinc/30/93/25/839309325.db2.gz GBFOCIRVIRPPJP-UHFFFAOYSA-N -1 3 382.707 3.722 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000055588886 839355712 /nfs/dbraw/zinc/35/57/12/839355712.db2.gz MFRZISNQIDQJIA-UHFFFAOYSA-N -1 3 379.478 3.608 20 0 GHADHM CN(Cc1csc(Br)c1)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188282878 839464067 /nfs/dbraw/zinc/46/40/67/839464067.db2.gz LFQDUNGFJKPLNU-MLPAPPSSSA-N -1 3 377.263 3.782 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1C(C)C ZINC000683925971 839490463 /nfs/dbraw/zinc/49/04/63/839490463.db2.gz BJZPDSBQTARGSR-UHFFFAOYSA-N -1 3 391.489 3.705 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)cc1C ZINC000471580843 839607548 /nfs/dbraw/zinc/60/75/48/839607548.db2.gz KSPZLLMGYKLCAB-UHFFFAOYSA-N -1 3 383.853 3.553 20 0 GHADHM Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000580519216 839727328 /nfs/dbraw/zinc/72/73/28/839727328.db2.gz ZVSSSLMMEJSZNN-UHFFFAOYSA-N -1 3 388.251 3.961 20 0 GHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000580701944 840030924 /nfs/dbraw/zinc/03/09/24/840030924.db2.gz HINKUJUMIKYDJW-UHFFFAOYSA-N -1 3 375.446 3.548 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1C ZINC000055674094 840398921 /nfs/dbraw/zinc/39/89/21/840398921.db2.gz BCHGEZUSJRPSIF-UHFFFAOYSA-N -1 3 376.478 3.688 20 0 GHADHM Cc1csc(CCCC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000500413797 840428604 /nfs/dbraw/zinc/42/86/04/840428604.db2.gz FJKPOSMBVVHQEX-UHFFFAOYSA-N -1 3 393.559 3.876 20 0 GHADHM CCO[C@@H](CCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCCC1 ZINC000934023547 844542987 /nfs/dbraw/zinc/54/29/87/844542987.db2.gz IFRLQKGPFAFYLZ-SFHVURJKSA-N -1 3 378.419 3.522 20 0 GHADHM Cc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)cnn1-c1ccccc1F ZINC000580945399 840491550 /nfs/dbraw/zinc/49/15/50/840491550.db2.gz SLXJLYCRMMPOSF-UHFFFAOYSA-N -1 3 379.844 3.915 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)[n-]1 ZINC000431994393 840502024 /nfs/dbraw/zinc/50/20/24/840502024.db2.gz VLEFSUULQGUUGR-UHFFFAOYSA-N -1 3 378.363 3.736 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCCCC1 ZINC000581027103 840603522 /nfs/dbraw/zinc/60/35/22/840603522.db2.gz IXJABMCTFQQQIQ-UHFFFAOYSA-N -1 3 391.475 3.640 20 0 GHADHM COc1ccccc1C1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCCCC1 ZINC000581027103 840603527 /nfs/dbraw/zinc/60/35/27/840603527.db2.gz IXJABMCTFQQQIQ-UHFFFAOYSA-N -1 3 391.475 3.640 20 0 GHADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)[N-]OC[C@@H]1CCOC1 ZINC000188017700 840841244 /nfs/dbraw/zinc/84/12/44/840841244.db2.gz ZSHXASISBYNEPP-QGZVFWFLSA-N -1 3 375.852 3.546 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(I)ccc2[O-])C1 ZINC000610485540 840843245 /nfs/dbraw/zinc/84/32/45/840843245.db2.gz JXYPRNARCQUWHF-CMPLNLGQSA-N -1 3 389.233 3.531 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c(C)nc4ccccc4c3C)nc21 ZINC000157796862 840872358 /nfs/dbraw/zinc/87/23/58/840872358.db2.gz VBLNBOQZJUZZLT-UHFFFAOYSA-N -1 3 388.427 3.696 20 0 GHADHM O=C([O-])C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(F)cc1F ZINC000909343036 840885831 /nfs/dbraw/zinc/88/58/31/840885831.db2.gz PSTLIVPLCFIMLT-IBGZPJMESA-N -1 3 388.414 3.506 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)COCC(F)F)c2)n1 ZINC000468833821 840893562 /nfs/dbraw/zinc/89/35/62/840893562.db2.gz DIUWFUZHEXTJLJ-UHFFFAOYSA-N -1 3 379.407 3.658 20 0 GHADHM C[C@H](CCC[C@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000417537521 840984802 /nfs/dbraw/zinc/98/48/02/840984802.db2.gz SLRGSHRSFKGOHY-OLZOCXBDSA-N -1 3 376.478 3.908 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000417569818 841006302 /nfs/dbraw/zinc/00/63/02/841006302.db2.gz VHXDTOKPIMBLOS-CYBMUJFWSA-N -1 3 393.240 3.799 20 0 GHADHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000473031003 841025101 /nfs/dbraw/zinc/02/51/01/841025101.db2.gz HAGJFPQOBBHDTF-AEFFLSMTSA-N -1 3 377.444 3.566 20 0 GHADHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651592347 841063054 /nfs/dbraw/zinc/06/30/54/841063054.db2.gz WPTXJCGUABTHJY-VIFPVBQESA-N -1 3 386.347 3.578 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc(Br)c(F)cc1F ZINC000430555172 841066110 /nfs/dbraw/zinc/06/61/10/841066110.db2.gz SFLRGFQTYUKBNN-UHFFFAOYSA-N -1 3 397.154 3.904 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417629953 841068212 /nfs/dbraw/zinc/06/82/12/841068212.db2.gz QMUPRAGZFBTXCF-LBPRGKRZSA-N -1 3 389.805 3.885 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417635753 841073889 /nfs/dbraw/zinc/07/38/89/841073889.db2.gz WUIRNONATKKVCX-LBPRGKRZSA-N -1 3 375.778 3.577 20 0 GHADHM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)cc1 ZINC000581331897 841097154 /nfs/dbraw/zinc/09/71/54/841097154.db2.gz NNPUICYIHJISCZ-GQCTYLIASA-N -1 3 388.489 3.555 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nnc(-c3c(Cl)cccc3Cl)o2)n1 ZINC000660747691 841160002 /nfs/dbraw/zinc/16/00/02/841160002.db2.gz VUILRJRTMQEIBO-UHFFFAOYSA-N -1 3 394.262 3.872 20 0 GHADHM Cc1nn(-c2ccccc2)cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124030327 841343677 /nfs/dbraw/zinc/34/36/77/841343677.db2.gz YFECWDMTEWBVRM-UHFFFAOYSA-N -1 3 375.472 3.981 20 0 GHADHM CCc1cnc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)s1 ZINC000184066519 841476170 /nfs/dbraw/zinc/47/61/70/841476170.db2.gz PQGOQXKZCDUSQJ-GOSISDBHSA-N -1 3 395.484 3.911 20 0 GHADHM CC[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCS1 ZINC000184088765 841530542 /nfs/dbraw/zinc/53/05/42/841530542.db2.gz JXTYFIKTONRQPJ-VQTJNVASSA-N -1 3 398.528 3.607 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCc3ccncc3)cc2)cc1 ZINC000045031750 841564902 /nfs/dbraw/zinc/56/49/02/841564902.db2.gz YROKBDKUQTXSFG-UHFFFAOYSA-N -1 3 395.484 3.762 20 0 GHADHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000581540275 841631214 /nfs/dbraw/zinc/63/12/14/841631214.db2.gz SDGSQMCMAFLVRY-VXJOIVPMSA-N -1 3 393.333 3.784 20 0 GHADHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000192196199 841686817 /nfs/dbraw/zinc/68/68/17/841686817.db2.gz CVIARJUTFBWAQC-AWEZNQCLSA-N -1 3 387.779 3.526 20 0 GHADHM C[C@@H](N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1(C)CC1 ZINC000184153656 841853672 /nfs/dbraw/zinc/85/36/72/841853672.db2.gz DVUKZJAENKPALY-OXQOHEQNSA-N -1 3 380.488 3.900 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000509726055 841863998 /nfs/dbraw/zinc/86/39/98/841863998.db2.gz HHCHJBFLAAQICP-RISCZKNCSA-N -1 3 377.334 3.818 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000656756315 841889998 /nfs/dbraw/zinc/88/99/98/841889998.db2.gz AKJSHAOXNBADJE-NEPJUHHUSA-N -1 3 385.304 3.713 20 0 GHADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000656757354 841891001 /nfs/dbraw/zinc/89/10/01/841891001.db2.gz OFLPCTUSEQVFES-NEPJUHHUSA-N -1 3 385.304 3.713 20 0 GHADHM CCOc1ccc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000656766082 841903740 /nfs/dbraw/zinc/90/37/40/841903740.db2.gz PZOXPUWCKRVIAY-OKZBNKHCSA-N -1 3 385.464 3.601 20 0 GHADHM COc1cc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)n2)ccc1C ZINC000656768398 841905197 /nfs/dbraw/zinc/90/51/97/841905197.db2.gz XRWAGWIRRXWLSE-YESZJQIVSA-N -1 3 385.464 3.519 20 0 GHADHM NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)Cc1cc([O-])cc(F)c1 ZINC000473139646 842100664 /nfs/dbraw/zinc/10/06/64/842100664.db2.gz ANWBKRLPMNMECK-UHFFFAOYSA-N -1 3 394.446 3.598 20 0 GHADHM COCCCn1c(=O)[n-]nc1S[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000549623856 842297480 /nfs/dbraw/zinc/29/74/80/842297480.db2.gz PMHBCRKEBNKJDU-INIZCTEOSA-N -1 3 397.928 3.934 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000730809229 861297835 /nfs/dbraw/zinc/29/78/35/861297835.db2.gz MIZKZRNHNNOAPG-OUJBWJOFSA-N -1 3 394.306 3.700 20 0 GHADHM CCN(CC)[C@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)c1cccc(OC)c1 ZINC000663113075 842499808 /nfs/dbraw/zinc/49/98/08/842499808.db2.gz SVSYKJRGSYLSKA-LJQANCHMSA-N -1 3 390.524 3.620 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)n1 ZINC000279048688 842515881 /nfs/dbraw/zinc/51/58/81/842515881.db2.gz HAZANXTZTPSFCJ-CYBMUJFWSA-N -1 3 381.398 3.554 20 0 GHADHM CCN(C(=O)c1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1Cl)C(C)C ZINC000279062749 842542902 /nfs/dbraw/zinc/54/29/02/842542902.db2.gz ZJSKVVPJCMZRMA-MRXNPFEDSA-N -1 3 383.876 3.790 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1Cl)C(C)C ZINC000279062749 842542909 /nfs/dbraw/zinc/54/29/09/842542909.db2.gz ZJSKVVPJCMZRMA-MRXNPFEDSA-N -1 3 383.876 3.790 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(Cn2ccnc2)c1 ZINC000471793815 842556847 /nfs/dbraw/zinc/55/68/47/842556847.db2.gz PSCVMIQHBHRENX-UHFFFAOYSA-N -1 3 399.447 3.604 20 0 GHADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000083907741 842570466 /nfs/dbraw/zinc/57/04/66/842570466.db2.gz SGSRBEUGFYNQHF-VIFPVBQESA-N -1 3 399.148 3.782 20 0 GHADHM O=C([O-])[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C1CC1 ZINC000652514328 842649919 /nfs/dbraw/zinc/64/99/19/842649919.db2.gz XGMWCHMUNVIVGD-LSDHHAIUSA-N -1 3 391.265 3.647 20 0 GHADHM C[C@H](CNC(=O)NCc1ncccc1[O-])Sc1ccc(Br)cc1 ZINC000471852054 842844767 /nfs/dbraw/zinc/84/47/67/842844767.db2.gz KGOBXJTWFLLBES-LLVKDONJSA-N -1 3 396.310 3.530 20 0 GHADHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000188302365 842881047 /nfs/dbraw/zinc/88/10/47/842881047.db2.gz WXMNTAXBKVDAIE-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000662217654 842945122 /nfs/dbraw/zinc/94/51/22/842945122.db2.gz HTACKIANJUCYOO-IRXDYDNUSA-N -1 3 386.536 3.708 20 0 GHADHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc1Cl ZINC000510551826 842952301 /nfs/dbraw/zinc/95/23/01/842952301.db2.gz JQYNDIMIADAKQO-UHFFFAOYSA-N -1 3 378.199 3.623 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](CC(F)(F)F)O1 ZINC000662233644 842986867 /nfs/dbraw/zinc/98/68/67/842986867.db2.gz FKYAGANKOXGTPW-MNOVXSKESA-N -1 3 381.354 3.623 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)(C)C ZINC000510611801 843052522 /nfs/dbraw/zinc/05/25/22/843052522.db2.gz AOSAPAHAZDOTPF-GFCCVEGCSA-N -1 3 398.750 3.832 20 0 GHADHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1 ZINC000471872567 843100187 /nfs/dbraw/zinc/10/01/87/843100187.db2.gz VOVVBVMWFZCKKA-CYBMUJFWSA-N -1 3 399.472 3.541 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000603929116 861389731 /nfs/dbraw/zinc/38/97/31/861389731.db2.gz RGMCWDCZVUHPIF-HXUWFJFHSA-N -1 3 381.472 3.981 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@](C)(CC)C3)nc(=O)c2c1C ZINC000468129450 843428868 /nfs/dbraw/zinc/42/88/68/843428868.db2.gz BSPBONDAHQIFHH-HXPMCKFVSA-N -1 3 377.510 3.653 20 0 GHADHM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1ccc(F)cc1C(F)(F)F ZINC000068938356 843442590 /nfs/dbraw/zinc/44/25/90/843442590.db2.gz QHFNTMPTGFPHHZ-CYBMUJFWSA-N -1 3 393.333 3.786 20 0 GHADHM CC(C)(C)c1ccc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000725993827 843512335 /nfs/dbraw/zinc/51/23/35/843512335.db2.gz QCMOQSBBTRFLFY-UHFFFAOYSA-N -1 3 379.453 3.852 20 0 GHADHM O=c1ccnc(C(=Cc2cnn(Cc3ccc(F)cc3)c2)Cc2ccccc2)[n-]1 ZINC000432706058 843557241 /nfs/dbraw/zinc/55/72/41/843557241.db2.gz UDZCHOVLUZHHLY-DEDYPNTBSA-N -1 3 386.430 3.937 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2cc(F)ccc2Br)[n-]c1=O ZINC000432709184 843565627 /nfs/dbraw/zinc/56/56/27/843565627.db2.gz PKANESNEIDDXBN-TWGQIWQCSA-N -1 3 381.201 3.821 20 0 GHADHM CC(C)c1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)c([O-])c1 ZINC000048508136 843595603 /nfs/dbraw/zinc/59/56/03/843595603.db2.gz LOMSWHMIAYNJHW-UHFFFAOYSA-N -1 3 378.354 3.507 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC[C@](C)(F)C1 ZINC000500591929 843708186 /nfs/dbraw/zinc/70/81/86/843708186.db2.gz SASIYBKOJMSYGO-IBGZPJMESA-N -1 3 394.443 3.509 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)c(=O)[n-]1 ZINC000899660427 861447578 /nfs/dbraw/zinc/44/75/78/861447578.db2.gz SPIKTZSUFNNNPX-VIFPVBQESA-N -1 3 385.411 3.831 20 0 GHADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000432762995 843741010 /nfs/dbraw/zinc/74/10/10/843741010.db2.gz MKWDXMOROFZVLK-UHFFFAOYSA-N -1 3 392.531 3.556 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1Cl ZINC000432777032 843781641 /nfs/dbraw/zinc/78/16/41/843781641.db2.gz SFBUXIHLDBFXMB-UHFFFAOYSA-N -1 3 391.880 3.703 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCOCc2ccccc2)[nH][n-]1 ZINC000512847577 843879853 /nfs/dbraw/zinc/87/98/53/843879853.db2.gz XIJAYJGXKGWPTI-UHFFFAOYSA-N -1 3 385.851 3.706 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2Cc3ccccc3S2)[nH][n-]1 ZINC000512848632 843880606 /nfs/dbraw/zinc/88/06/06/843880606.db2.gz HRLPGTZHMUKZFW-QGZVFWFLSA-N -1 3 385.876 3.816 20 0 GHADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)cc1 ZINC000603969953 861469262 /nfs/dbraw/zinc/46/92/62/861469262.db2.gz GKFDUHXFTVHSMP-UHFFFAOYSA-N -1 3 391.489 3.772 20 0 GHADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052641886 844661489 /nfs/dbraw/zinc/66/14/89/844661489.db2.gz YYECLRTWERIKHN-QGZVFWFLSA-N -1 3 391.427 3.654 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1[O-] ZINC000535828216 844694618 /nfs/dbraw/zinc/69/46/18/844694618.db2.gz LCUSVKZFCBKCRC-KRWDZBQOSA-N -1 3 377.387 3.770 20 0 GHADHM O=C(NCc1ncccc1[O-])NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000471985607 844842845 /nfs/dbraw/zinc/84/28/45/844842845.db2.gz SOPSHYUFHIJIHP-UHFFFAOYSA-N -1 3 379.382 3.727 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000729357470 844880534 /nfs/dbraw/zinc/88/05/34/844880534.db2.gz VQZIMQNBGJPKMA-RMKNXTFCSA-N -1 3 384.237 3.590 20 0 GHADHM Cc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000729357470 844880540 /nfs/dbraw/zinc/88/05/40/844880540.db2.gz VQZIMQNBGJPKMA-RMKNXTFCSA-N -1 3 384.237 3.590 20 0 GHADHM O=S(=O)([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000481505383 861538901 /nfs/dbraw/zinc/53/89/01/861538901.db2.gz ZCINEIXGHHPICT-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)[n-]1 ZINC000433095990 845265128 /nfs/dbraw/zinc/26/51/28/845265128.db2.gz CEJFGGAAIHYOSI-CYBMUJFWSA-N -1 3 381.457 3.783 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c(Br)c2)c1 ZINC000277224835 845343352 /nfs/dbraw/zinc/34/33/52/845343352.db2.gz IDKKSUWOBIHISO-MRXNPFEDSA-N -1 3 394.265 3.772 20 0 GHADHM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000472072778 845707296 /nfs/dbraw/zinc/70/72/96/845707296.db2.gz GPQYOIVZXVYIKS-AWEZNQCLSA-N -1 3 380.485 3.751 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1F ZINC000472117177 845960014 /nfs/dbraw/zinc/96/00/14/845960014.db2.gz FYMOSICYXLLMJP-UHFFFAOYSA-N -1 3 381.400 3.549 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1Cl ZINC000469122214 846263407 /nfs/dbraw/zinc/26/34/07/846263407.db2.gz VDXPTSBVDAIVMK-UHFFFAOYSA-N -1 3 393.852 3.973 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)c(C)c1C ZINC000280027708 846268103 /nfs/dbraw/zinc/26/81/03/846268103.db2.gz VPZZMFQUJPBGNA-UHFFFAOYSA-N -1 3 391.493 3.515 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)[n-]1 ZINC000431354762 846291770 /nfs/dbraw/zinc/29/17/70/846291770.db2.gz ZHCSPMFCERFQLZ-UHFFFAOYSA-N -1 3 375.837 3.754 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000131757337 861664165 /nfs/dbraw/zinc/66/41/65/861664165.db2.gz UORHZABCNLQGHT-OPYAIIAOSA-N -1 3 392.499 3.710 20 0 GHADHM CC(=O)NCc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)s1 ZINC000502688237 846335583 /nfs/dbraw/zinc/33/55/83/846335583.db2.gz XOFFPQMSASQXRR-UHFFFAOYSA-N -1 3 382.474 3.590 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000545859726 846443508 /nfs/dbraw/zinc/44/35/08/846443508.db2.gz WUSYQQDAHZOSSO-UHFFFAOYSA-N -1 3 392.235 3.861 20 0 GHADHM CC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCCCCC1 ZINC000421683998 846463630 /nfs/dbraw/zinc/46/36/30/846463630.db2.gz WAGXGOQWNNEBCB-UHFFFAOYSA-N -1 3 382.224 3.929 20 0 GHADHM O=C(NCc1ncccc1[O-])NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000472177958 846464004 /nfs/dbraw/zinc/46/40/04/846464004.db2.gz JRIKGUSSHHVKLT-UHFFFAOYSA-N -1 3 377.847 3.891 20 0 GHADHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000548696246 846517965 /nfs/dbraw/zinc/51/79/65/846517965.db2.gz PFWASRUBYZVPFP-UHFFFAOYSA-N -1 3 395.333 3.926 20 0 GHADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502827741 846522166 /nfs/dbraw/zinc/52/21/66/846522166.db2.gz ODXPLQKNQGWPIS-UHFFFAOYSA-N -1 3 393.534 3.655 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c(F)c1 ZINC000414416720 846644653 /nfs/dbraw/zinc/64/46/53/846644653.db2.gz 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ZINC000582316062 846839067 /nfs/dbraw/zinc/83/90/67/846839067.db2.gz WBNCRILBSPVJMR-UHFFFAOYSA-N -1 3 385.376 3.937 20 0 GHADHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000509945903 846869867 /nfs/dbraw/zinc/86/98/67/846869867.db2.gz PZQAPOGQSXPYMA-KGLIPLIRSA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1cc2cc(Cl)ccc2s1 ZINC000501445228 846931773 /nfs/dbraw/zinc/93/17/73/846931773.db2.gz DEXUTOFRKBVALA-GHMZBOCLSA-N -1 3 381.853 3.993 20 0 GHADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)[C@H]1C[C@@H]1C(F)F ZINC000513767104 846948285 /nfs/dbraw/zinc/94/82/85/846948285.db2.gz DVLMYKIVHQMIKG-YUMQZZPRSA-N -1 3 390.615 3.754 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000158109552 846953489 /nfs/dbraw/zinc/95/34/89/846953489.db2.gz JFSDDUWJWXQIJV-ONGXEEELSA-N -1 3 380.318 3.845 20 0 GHADHM CC(C)(c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)(F)F ZINC000434115710 846954947 /nfs/dbraw/zinc/95/49/47/846954947.db2.gz TZISEIDOWYRKCZ-UHFFFAOYSA-N -1 3 389.381 3.637 20 0 GHADHM CC(C)(c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)(F)F ZINC000434115710 846954949 /nfs/dbraw/zinc/95/49/49/846954949.db2.gz TZISEIDOWYRKCZ-UHFFFAOYSA-N -1 3 389.381 3.637 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCO[C@@H](C)C3)cc2)cc1 ZINC000272116179 846994643 /nfs/dbraw/zinc/99/46/43/846994643.db2.gz SCDVLNSCGAVLQW-HOTGVXAUSA-N -1 3 388.489 3.549 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000731613137 861743470 /nfs/dbraw/zinc/74/34/70/861743470.db2.gz SGAYYOGWZWEHEZ-ROUUACIJSA-N -1 3 393.361 3.646 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000731613133 861743820 /nfs/dbraw/zinc/74/38/20/861743820.db2.gz SGAYYOGWZWEHEZ-MSOLQXFVSA-N -1 3 393.361 3.646 20 0 GHADHM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000511118214 847169753 /nfs/dbraw/zinc/16/97/53/847169753.db2.gz AVHWHWBHIUVNFT-UHFFFAOYSA-N -1 3 399.520 3.686 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CN(CC)C(C)=O)c2)c(C)c1 ZINC000501790900 847186634 /nfs/dbraw/zinc/18/66/34/847186634.db2.gz DOPUDTSFTBVOIQ-UHFFFAOYSA-N -1 3 390.505 3.563 20 0 GHADHM [O-]c1ccc(F)c(CN[C@@H]2CCN(c3ccccc3Br)C2)c1F ZINC000511143139 847456643 /nfs/dbraw/zinc/45/66/43/847456643.db2.gz GMWWYPQARWKXGF-LLVKDONJSA-N -1 3 383.236 3.801 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Cc3cncc4ccccc43)nc21 ZINC000502083871 847471043 /nfs/dbraw/zinc/47/10/43/847471043.db2.gz BMXZTCQMZQQMRA-CYBMUJFWSA-N -1 3 388.427 3.715 20 0 GHADHM CCCCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@H](CC)c1ccccc1 ZINC000503306491 847576931 /nfs/dbraw/zinc/57/69/31/847576931.db2.gz QWFXXNRRJLHHCC-LJQANCHMSA-N -1 3 389.521 3.847 20 0 GHADHM Cc1cc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)n(-c2ccccc2F)n1 ZINC000731697618 861823366 /nfs/dbraw/zinc/82/33/66/861823366.db2.gz IEHPKVIPKNKLMB-UHFFFAOYSA-N -1 3 398.419 3.658 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccco1 ZINC000673825480 861833829 /nfs/dbraw/zinc/83/38/29/861833829.db2.gz YJPUYMXYCHROEC-QGZVFWFLSA-N -1 3 384.457 3.591 20 0 GHADHM CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000158656074 847847845 /nfs/dbraw/zinc/84/78/45/847847845.db2.gz YJXZVBLPJZHWMR-UHFFFAOYSA-N -1 3 380.460 3.575 20 0 GHADHM COCC[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccco1 ZINC000503803168 847952946 /nfs/dbraw/zinc/95/29/46/847952946.db2.gz ZVRIOYBOLBXXEG-AWEZNQCLSA-N -1 3 378.277 3.784 20 0 GHADHM O=C(COC[C@H]1CCOC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179932183 861856395 /nfs/dbraw/zinc/85/63/95/861856395.db2.gz JWGJUHGOJAQEFC-ZDUSSCGKSA-N -1 3 384.457 3.661 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)cc1C ZINC000728508679 848132377 /nfs/dbraw/zinc/13/23/77/848132377.db2.gz RFPDROABVBLHJF-UHFFFAOYSA-N -1 3 394.518 3.887 20 0 GHADHM O=C(COC(=O)c1ccc([O-])cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000011077824 881341818 /nfs/dbraw/zinc/34/18/18/881341818.db2.gz FLWXVZOQGYOAJP-INIZCTEOSA-N -1 3 396.424 3.581 20 0 GHADHM O=C(Nc1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1)c1cccs1 ZINC000892297719 848275690 /nfs/dbraw/zinc/27/56/90/848275690.db2.gz ZQHAZGHONRBBAO-UHFFFAOYSA-N -1 3 379.401 3.631 20 0 GHADHM O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cc([O-])ccc1Cl ZINC000481625944 861885829 /nfs/dbraw/zinc/88/58/29/861885829.db2.gz NECLNOCJMRKNMN-NSHDSACASA-N -1 3 387.785 3.645 20 0 GHADHM COC(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000029337731 861901968 /nfs/dbraw/zinc/90/19/68/861901968.db2.gz CETTYGLAFJDILS-UHFFFAOYSA-N -1 3 375.490 3.745 20 0 GHADHM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000731871550 861939917 /nfs/dbraw/zinc/93/99/17/861939917.db2.gz IFKOJZNXZVTUAH-UHFFFAOYSA-N -1 3 399.450 3.887 20 0 GHADHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)o1 ZINC000122659034 848984390 /nfs/dbraw/zinc/98/43/90/848984390.db2.gz CHBIBJREGUWCAX-UHFFFAOYSA-N -1 3 393.408 3.573 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1 ZINC000122830660 849017608 /nfs/dbraw/zinc/01/76/08/849017608.db2.gz PQPXLIPUPLPOGN-YCRPNKLZSA-N -1 3 382.460 3.570 20 0 GHADHM O=c1[n-]c(C2CCN([C@H]3CCCc4ccc(Br)cc43)CC2)n[nH]1 ZINC000329668796 861978681 /nfs/dbraw/zinc/97/86/81/861978681.db2.gz SEBGTHGFMKBHCV-HNNXBMFYSA-N -1 3 377.286 3.530 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000123426836 849122368 /nfs/dbraw/zinc/12/23/68/849122368.db2.gz YZYUJVDIJPUUGM-UGKGYDQZSA-N -1 3 396.487 3.859 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000162644071 849278532 /nfs/dbraw/zinc/27/85/32/849278532.db2.gz FMIFMNIUGXRDTQ-KRWDZBQOSA-N -1 3 395.459 3.756 20 0 GHADHM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(F)(F)F ZINC000278130950 849316260 /nfs/dbraw/zinc/31/62/60/849316260.db2.gz MMXXPQWWTWIWSY-MEDUHNTESA-N -1 3 396.413 3.578 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc(F)c(F)c(F)c1 ZINC000555855420 862008071 /nfs/dbraw/zinc/00/80/71/862008071.db2.gz ATEZMYBRTHOUOI-MFKMUULPSA-N -1 3 393.333 3.540 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2C)cc1CC ZINC000535991491 849594793 /nfs/dbraw/zinc/59/47/93/849594793.db2.gz DUXILMODFNYGNQ-UHFFFAOYSA-N -1 3 377.506 3.946 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000103533666 881342360 /nfs/dbraw/zinc/34/23/60/881342360.db2.gz YKLUAPSBTHYOOB-UHFFFAOYSA-N -1 3 376.497 3.674 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434783137 849769802 /nfs/dbraw/zinc/76/98/02/849769802.db2.gz KHESQKXUUSIOFZ-UHFFFAOYSA-N -1 3 379.503 3.689 20 0 GHADHM Cc1ccc(CC2CN(C(=O)NCc3ccc([O-])c(Br)c3)C2)cc1 ZINC000664471019 850123813 /nfs/dbraw/zinc/12/38/13/850123813.db2.gz JRJOVOYZIIAKER-UHFFFAOYSA-N -1 3 389.293 3.847 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430136232 850158558 /nfs/dbraw/zinc/15/85/58/850158558.db2.gz IEDPOGVBNBNFOM-JTQLQIEISA-N -1 3 394.656 3.578 20 0 GHADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000486848405 850158987 /nfs/dbraw/zinc/15/89/87/850158987.db2.gz VTQHLSFEJFSCJN-BZBKMWRSSA-N -1 3 384.217 3.545 20 0 GHADHM CCc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000908624009 850223411 /nfs/dbraw/zinc/22/34/11/850223411.db2.gz LITWIESQFCVLFU-QFIPXVFZSA-N -1 3 399.466 3.629 20 0 GHADHM O=C([O-])[C@]1(NC(=O)Nc2ccc3occc3c2)CCCN(Cc2ccccc2)C1 ZINC000908628409 850226653 /nfs/dbraw/zinc/22/66/53/850226653.db2.gz NNJZYCRAALFQMT-QFIPXVFZSA-N -1 3 393.443 3.674 20 0 GHADHM CCCCC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908749050 850320750 /nfs/dbraw/zinc/32/07/50/850320750.db2.gz LWFAAVRJWFJDPR-DLBZAZTESA-N -1 3 395.569 3.854 20 0 GHADHM CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[C@@H](CC)C(=O)[O-] ZINC000908749702 850322448 /nfs/dbraw/zinc/32/24/48/850322448.db2.gz VXHIRDGRKHLKLJ-IRXDYDNUSA-N -1 3 395.569 3.806 20 0 GHADHM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000908753795 850331744 /nfs/dbraw/zinc/33/17/44/850331744.db2.gz XANDJRNECPKWOT-SJORKVTESA-N -1 3 393.553 3.608 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCS2)cc1 ZINC000443883486 862123446 /nfs/dbraw/zinc/12/34/46/862123446.db2.gz ZDVUKNJDRJZWFR-KRWDZBQOSA-N -1 3 390.530 3.938 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)c(C)c1 ZINC000506687536 850433485 /nfs/dbraw/zinc/43/34/85/850433485.db2.gz BUASIDGMSUCUAL-UHFFFAOYSA-N -1 3 391.489 3.690 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1 ZINC000908883720 850451785 /nfs/dbraw/zinc/45/17/85/850451785.db2.gz DTLRVGANTYIZFR-AHRSYUTCSA-N -1 3 387.524 3.545 20 0 GHADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cc1F ZINC000426505141 850459465 /nfs/dbraw/zinc/45/94/65/850459465.db2.gz TTXZPSGXQVQHDJ-SNVBAGLBSA-N -1 3 389.224 3.921 20 0 GHADHM CC[C@](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)(C(=O)[O-])c1ccccc1 ZINC000908942224 850481987 /nfs/dbraw/zinc/48/19/87/850481987.db2.gz FNCQWOUOULQMFD-WZONZLPQSA-N -1 3 398.478 3.544 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000908991128 850522409 /nfs/dbraw/zinc/52/24/09/850522409.db2.gz YFQOJJYGRWKABQ-NQIIRXRSSA-N -1 3 397.519 3.754 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435437972 850527378 /nfs/dbraw/zinc/52/73/78/850527378.db2.gz MKBJPJDRRHYUNF-RBUKOAKNSA-N -1 3 399.443 3.600 20 0 GHADHM C[C@H](Oc1cccnc1)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000435468463 850548213 /nfs/dbraw/zinc/54/82/13/850548213.db2.gz CUNSILXIYWMVKH-JTQLQIEISA-N -1 3 377.231 3.606 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C)ccc2C2CC2)cc1OC ZINC000424593003 850570518 /nfs/dbraw/zinc/57/05/18/850570518.db2.gz JTTMWAKHQDQCBV-UHFFFAOYSA-N -1 3 388.489 3.895 20 0 GHADHM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000505138667 850641648 /nfs/dbraw/zinc/64/16/48/850641648.db2.gz GSBNJIUDKFRPFS-UHFFFAOYSA-N -1 3 384.411 3.624 20 0 GHADHM NC(=O)c1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3F)no2)c(F)c1 ZINC001126470845 850671448 /nfs/dbraw/zinc/67/14/48/850671448.db2.gz RYCOWZNXWUDKKB-UHFFFAOYSA-N -1 3 377.734 3.624 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cnccc1C(F)(F)F ZINC000435589033 850676603 /nfs/dbraw/zinc/67/66/03/850676603.db2.gz OABHUQIEEVUNKI-TVQRCGJNSA-N -1 3 394.777 3.727 20 0 GHADHM C[C@](CC(=O)[O-])(NC(=O)c1cccc(CN2CCCC2)c1)c1cccc(F)c1 ZINC000909680773 850693566 /nfs/dbraw/zinc/69/35/66/850693566.db2.gz HAONRZKUCZIHAQ-JOCHJYFZSA-N -1 3 384.451 3.541 20 0 GHADHM Cn1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c(-c2ccccc2Cl)n1 ZINC000435676116 850762018 /nfs/dbraw/zinc/76/20/18/850762018.db2.gz ZFJQVUROUSHUKS-UHFFFAOYSA-N -1 3 377.835 3.805 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])c1 ZINC000909791216 850791003 /nfs/dbraw/zinc/79/10/03/850791003.db2.gz FCJUWDLYQQFXAA-RXVVDRJESA-N -1 3 398.478 3.597 20 0 GHADHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c1 ZINC000435714487 850799517 /nfs/dbraw/zinc/79/95/17/850799517.db2.gz KWELLKIVHFKBSU-UHFFFAOYSA-N -1 3 377.462 3.516 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c(F)c1 ZINC000435722276 850807388 /nfs/dbraw/zinc/80/73/88/850807388.db2.gz MIEWYXDWMQVYTK-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000487711918 850840422 /nfs/dbraw/zinc/84/04/22/850840422.db2.gz PCBSQFMZXPIBJJ-UHFFFAOYSA-N -1 3 386.517 3.976 20 0 GHADHM C[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccco1 ZINC000673935705 862181053 /nfs/dbraw/zinc/18/10/53/862181053.db2.gz YDLLWZWYULCHPF-GFCCVEGCSA-N -1 3 376.840 3.619 20 0 GHADHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCc3cccs3)n2)cc1 ZINC000443912871 862181966 /nfs/dbraw/zinc/18/19/66/862181966.db2.gz HEPIFGWOBJWGMR-ZDUSSCGKSA-N -1 3 391.518 3.584 20 0 GHADHM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000515370136 850934766 /nfs/dbraw/zinc/93/47/66/850934766.db2.gz MPAVXNFDENTMDX-IAQYHMDHSA-N -1 3 390.411 3.518 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCCC2)C(C)(C)C)c(C)o1 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ZINC000473665896 851551089 /nfs/dbraw/zinc/55/10/89/851551089.db2.gz WUBGXWXMYJRYSJ-UHFFFAOYSA-N -1 3 384.407 3.536 20 0 GHADHM CC(C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000732394243 862257153 /nfs/dbraw/zinc/25/71/53/862257153.db2.gz JEFRKVXLEVKQQG-HNNXBMFYSA-N -1 3 383.231 3.914 20 0 GHADHM O=C(COC(=O)c1cncc([O-])c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000732394662 862259025 /nfs/dbraw/zinc/25/90/25/862259025.db2.gz RCRMPNMZJBESIB-HXUWFJFHSA-N -1 3 396.830 3.503 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(c4ccon4)CC3)cc2)cc(=O)[n-]1 ZINC000664440758 851578214 /nfs/dbraw/zinc/57/82/14/851578214.db2.gz YXUZFAXSEUDWGL-UHFFFAOYSA-N -1 3 379.420 3.557 20 0 GHADHM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000911085664 851579933 /nfs/dbraw/zinc/57/99/33/851579933.db2.gz XULKTRSOUNDZAG-KRWDZBQOSA-N -1 3 399.466 3.806 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3[n-]nnc32)cc1)c1cccs1 ZINC000763980982 862260761 /nfs/dbraw/zinc/26/07/61/862260761.db2.gz WCJVDLIPOXNHCN-UHFFFAOYSA-N -1 3 382.376 3.630 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3nn[n-]c32)cc1)c1cccs1 ZINC000763980982 862260779 /nfs/dbraw/zinc/26/07/79/862260779.db2.gz WCJVDLIPOXNHCN-UHFFFAOYSA-N -1 3 382.376 3.630 20 0 GHADHM O=C(Nc1ccc(OC(=O)c2cc(F)cc3n[n-]nc32)cc1)c1cccs1 ZINC000763980982 862260793 /nfs/dbraw/zinc/26/07/93/862260793.db2.gz WCJVDLIPOXNHCN-UHFFFAOYSA-N -1 3 382.376 3.630 20 0 GHADHM Cc1ccc(-c2cc(C(=O)N=c3cc4ccc(Br)cn4[n-]3)on2)cc1 ZINC000430114506 851594063 /nfs/dbraw/zinc/59/40/63/851594063.db2.gz RRROWLOCJRYGOQ-UHFFFAOYSA-N -1 3 397.232 3.734 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000132777459 862262089 /nfs/dbraw/zinc/26/20/89/862262089.db2.gz HFXBMBQAJVZTPR-MRVPVSSYSA-N -1 3 397.132 3.536 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OC(F)(F)F)cc1 ZINC000488680443 851692211 /nfs/dbraw/zinc/69/22/11/851692211.db2.gz YZNVTEVCMDLUMU-UHFFFAOYSA-N -1 3 390.155 3.983 20 0 GHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](c2ccsc2)O1 ZINC000120870689 851703374 /nfs/dbraw/zinc/70/33/74/851703374.db2.gz MVTRBPBDSGAEGQ-MLGOLLRUSA-N -1 3 381.457 3.693 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000488827664 851803574 /nfs/dbraw/zinc/80/35/74/851803574.db2.gz VJSCUAROWYMNMV-JSGCOSHPSA-N -1 3 377.334 3.818 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)n1 ZINC000911811689 851905743 /nfs/dbraw/zinc/90/57/43/851905743.db2.gz WJSAYGXZFRIOPU-MQMHXKEQSA-N -1 3 388.537 3.835 20 0 GHADHM COc1cc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])ccc1OCc1ccncc1 ZINC000436481665 851951459 /nfs/dbraw/zinc/95/14/59/851951459.db2.gz ARLCVDGGKFLOSQ-CQSZACIVSA-N -1 3 394.427 3.571 20 0 GHADHM CSc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436495623 851970065 /nfs/dbraw/zinc/97/00/65/851970065.db2.gz NZKAHBSLGDACRN-PBHICJAKSA-N -1 3 384.501 3.596 20 0 GHADHM CC(C)Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436489802 851983737 /nfs/dbraw/zinc/98/37/37/851983737.db2.gz VZAYNGBRWQDYQD-UHFFFAOYSA-N -1 3 394.515 3.508 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C)CCCCCC2)no1 ZINC000032435059 852001303 /nfs/dbraw/zinc/00/13/03/852001303.db2.gz SWFLIRHVHSYAAQ-UHFFFAOYSA-N -1 3 383.901 3.868 20 0 GHADHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)c([O-])c1C ZINC000436531945 852022066 /nfs/dbraw/zinc/02/20/66/852022066.db2.gz IOOUFBZVPDUJFS-UHFFFAOYSA-N -1 3 384.501 3.759 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CCO1 ZINC000506180339 852048301 /nfs/dbraw/zinc/04/83/01/852048301.db2.gz WIUYMXUBZHXZDE-GXTWGEPZSA-N -1 3 377.872 3.694 20 0 GHADHM O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ccccc1[O-] ZINC000436544305 852057990 /nfs/dbraw/zinc/05/79/90/852057990.db2.gz OLLBIASJCDDRIG-UHFFFAOYSA-N -1 3 390.277 3.633 20 0 GHADHM COc1ccnc(N2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)c1 ZINC000436562453 852066055 /nfs/dbraw/zinc/06/60/55/852066055.db2.gz AOZDQRXDJAEKGM-UHFFFAOYSA-N -1 3 397.862 3.565 20 0 GHADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436591125 852078953 /nfs/dbraw/zinc/07/89/53/852078953.db2.gz PHWUCYFFIOMWHQ-HNNXBMFYSA-N -1 3 377.488 3.694 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2OC2CCCC2)c([O-])c1 ZINC000436637011 852131057 /nfs/dbraw/zinc/13/10/57/852131057.db2.gz YCQNXIXUOCESSW-UHFFFAOYSA-N -1 3 382.460 3.781 20 0 GHADHM CSc1ccc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)o1 ZINC000112241360 852141695 /nfs/dbraw/zinc/14/16/95/852141695.db2.gz JMZWCHFDEKLACC-UHFFFAOYSA-N -1 3 393.266 3.656 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[O-] ZINC000436653069 852141633 /nfs/dbraw/zinc/14/16/33/852141633.db2.gz COYFGEMHADYITO-JTQLQIEISA-N -1 3 385.807 3.789 20 0 GHADHM O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436660583 852178576 /nfs/dbraw/zinc/17/85/76/852178576.db2.gz SXBNNMMUKOECGM-ZDUSSCGKSA-N -1 3 377.265 3.733 20 0 GHADHM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489285127 852187904 /nfs/dbraw/zinc/18/79/04/852187904.db2.gz BSZGXHHCCPDTLJ-NVXWUHKLSA-N -1 3 397.233 3.540 20 0 GHADHM CCCOc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1OC ZINC000436686217 852196865 /nfs/dbraw/zinc/19/68/65/852196865.db2.gz DIFWZVBNUHAUBF-UHFFFAOYSA-N -1 3 386.404 3.924 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473831011 852204640 /nfs/dbraw/zinc/20/46/40/852204640.db2.gz REJYBXQMDZADSS-ZDUSSCGKSA-N -1 3 398.265 3.916 20 0 GHADHM Cc1cc2cc(NC(=O)NC3CCN(C(=O)c4ccccc4[O-])CC3)ccc2[nH]1 ZINC000436699407 852216060 /nfs/dbraw/zinc/21/60/60/852216060.db2.gz QIFUHRLSVZIBFC-UHFFFAOYSA-N -1 3 392.459 3.608 20 0 GHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436719706 852243011 /nfs/dbraw/zinc/24/30/11/852243011.db2.gz IJKYGWRCBJSUJA-IEBWSBKVSA-N -1 3 392.499 3.666 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436720587 852245265 /nfs/dbraw/zinc/24/52/65/852245265.db2.gz GBUHBFUDCJTAFO-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436724435 852251721 /nfs/dbraw/zinc/25/17/21/852251721.db2.gz SDFSBECLJMAOKA-INIZCTEOSA-N -1 3 382.460 3.705 20 0 GHADHM Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)c3cc(C)ccc3[O-])c1-2 ZINC000436733519 852274892 /nfs/dbraw/zinc/27/48/92/852274892.db2.gz WJFUQQNJCXZBHS-UHFFFAOYSA-N -1 3 379.395 3.522 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(NC(=O)NC4CC4)cc3)c([O-])c2O1 ZINC000436755648 852302415 /nfs/dbraw/zinc/30/24/15/852302415.db2.gz NUUJHHDOSHXLNC-UHFFFAOYSA-N -1 3 381.432 3.642 20 0 GHADHM COc1c(Br)cccc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000426718360 852303892 /nfs/dbraw/zinc/30/38/92/852303892.db2.gz BAPYPJJVJZCLMW-MRXNPFEDSA-N -1 3 378.266 3.990 20 0 GHADHM O=C([O-])c1cc(Cl)ccc1CN1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001142656419 862342616 /nfs/dbraw/zinc/34/26/16/862342616.db2.gz GTKAIYVZFLURJS-UHFFFAOYSA-N -1 3 388.826 3.663 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C ZINC000517723733 852310887 /nfs/dbraw/zinc/31/08/87/852310887.db2.gz ZWNAPDAQYHKCHN-UHFFFAOYSA-N -1 3 393.505 3.746 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccccc4)n3)nc21 ZINC000438367535 852311033 /nfs/dbraw/zinc/31/10/33/852311033.db2.gz WKUQLZAVNXHWQA-UHFFFAOYSA-N -1 3 378.413 3.725 20 0 GHADHM O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436780606 852316883 /nfs/dbraw/zinc/31/68/83/852316883.db2.gz PDOOHQLSHYUBDK-UHFFFAOYSA-N -1 3 398.462 3.562 20 0 GHADHM O=C(NCc1cc2ccccc2s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436768083 852323325 /nfs/dbraw/zinc/32/33/25/852323325.db2.gz VZOYPWFRHFBMER-QGZVFWFLSA-N -1 3 380.469 3.528 20 0 GHADHM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000436784608 852337476 /nfs/dbraw/zinc/33/74/76/852337476.db2.gz MGICBYPFMJZZTA-UHFFFAOYSA-N -1 3 382.851 3.851 20 0 GHADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1C ZINC000436794282 852353194 /nfs/dbraw/zinc/35/31/94/852353194.db2.gz VBODVKSQHUPYSQ-UHFFFAOYSA-N -1 3 386.879 3.697 20 0 GHADHM COc1ccc2oc([C@H](C)NC(=O)c3cc(OC)c([O-])c(OC)c3)c(C)c2c1 ZINC000436798252 852354827 /nfs/dbraw/zinc/35/48/27/852354827.db2.gz RSRJHCHIFRMZLF-LBPRGKRZSA-N -1 3 385.416 3.964 20 0 GHADHM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436798882 852355591 /nfs/dbraw/zinc/35/55/91/852355591.db2.gz NEKTZHQEWMXVSA-UXHICEINSA-N -1 3 394.515 3.796 20 0 GHADHM O=C(NCCCCCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436831899 852381325 /nfs/dbraw/zinc/38/13/25/852381325.db2.gz HKBDIMUDXAYUGQ-FQEVSTJZSA-N -1 3 398.478 3.665 20 0 GHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000426780566 852386701 /nfs/dbraw/zinc/38/67/01/852386701.db2.gz TXNZIDCSSYMIBK-HNNXBMFYSA-N -1 3 399.365 3.908 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)NC[C@H]1CCCCS1 ZINC000436827000 852396534 /nfs/dbraw/zinc/39/65/34/852396534.db2.gz CIQBNSIHKJLZOE-WOJBJXKFSA-N -1 3 398.528 3.655 20 0 GHADHM CCc1ccc([C@H](NCc2cc(OC)c(OC)cc2SC)C(=O)[O-])cc1 ZINC000426812007 852421672 /nfs/dbraw/zinc/42/16/72/852421672.db2.gz PKNMZLPXUSIXAA-IBGZPJMESA-N -1 3 375.490 3.904 20 0 GHADHM CC(C)(C)c1nc(CN[C@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])cs1 ZINC000426822261 852433123 /nfs/dbraw/zinc/43/31/23/852433123.db2.gz ATWATZZFGQYFQL-CQSZACIVSA-N -1 3 384.448 3.828 20 0 GHADHM O=S(=O)([N-][C@@H]1c2ccccc2CC12CCOCC2)c1ccc(Cl)cc1F ZINC000329832123 862356456 /nfs/dbraw/zinc/35/64/56/862356456.db2.gz KGVUXOOVKIKQQJ-GOSISDBHSA-N -1 3 395.883 3.852 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732560747 862358451 /nfs/dbraw/zinc/35/84/51/862358451.db2.gz NMLBOXCNAPTYAN-JTQLQIEISA-N -1 3 393.777 3.878 20 0 GHADHM CCCc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000436884436 852457458 /nfs/dbraw/zinc/45/74/58/852457458.db2.gz CNDSBZUIKJCNLN-UHFFFAOYSA-N -1 3 386.879 3.596 20 0 GHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436892164 852464764 /nfs/dbraw/zinc/46/47/64/852464764.db2.gz IDFPFQXGBGZYPJ-BBATYDOGSA-N -1 3 376.840 3.510 20 0 GHADHM Cc1ccc(CCCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000436893338 852467039 /nfs/dbraw/zinc/46/70/39/852467039.db2.gz NEIDIKWOMCGWMV-UHFFFAOYSA-N -1 3 386.517 3.506 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@@H]1CC2CCC1CC2 ZINC000436904381 852469781 /nfs/dbraw/zinc/46/97/81/852469781.db2.gz PRWYEQVGZIPHBI-NKIPYUMQSA-N -1 3 392.499 3.948 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911182 852476218 /nfs/dbraw/zinc/47/62/18/852476218.db2.gz FDHCORRRTLUUCF-LEWJYISDSA-N -1 3 380.488 3.900 20 0 GHADHM CC(C)[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911183 852476745 /nfs/dbraw/zinc/47/67/45/852476745.db2.gz FDHCORRRTLUUCF-NHCUHLMSSA-N -1 3 380.488 3.900 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(C(=O)NCc4ccco4)c3)no2)c1 ZINC000436900607 852486523 /nfs/dbraw/zinc/48/65/23/852486523.db2.gz DCJMNHBXQVJCKF-UHFFFAOYSA-N -1 3 391.383 3.641 20 0 GHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2cccnc2-n2cncn2)no1 ZINC000436917121 852496045 /nfs/dbraw/zinc/49/60/45/852496045.db2.gz ABPUVZMAENIEEN-UHFFFAOYSA-N -1 3 396.410 3.676 20 0 GHADHM CCCc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436919295 852498876 /nfs/dbraw/zinc/49/88/76/852498876.db2.gz NJYJMXYFWVNMOE-UHFFFAOYSA-N -1 3 381.476 3.771 20 0 GHADHM O=C(Nc1ccc(F)cc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436922055 852502637 /nfs/dbraw/zinc/50/26/37/852502637.db2.gz YJUHTZGEYPGWAG-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(CCCO)Cc1ccccn1 ZINC000436929664 852511664 /nfs/dbraw/zinc/51/16/64/852511664.db2.gz FYDIUDPAWDCKBH-UHFFFAOYSA-N -1 3 378.428 3.604 20 0 GHADHM COc1ccc([O-])c(-c2nc(CCc3ccccc3Br)no2)c1 ZINC000436939416 852522725 /nfs/dbraw/zinc/52/27/25/852522725.db2.gz NYJFJTLTLZXGQW-UHFFFAOYSA-N -1 3 375.222 3.999 20 0 GHADHM O=C(NCCCN1CCCCCC1=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436952859 852543514 /nfs/dbraw/zinc/54/35/14/852543514.db2.gz KLWFZWXKZAKWHL-UHFFFAOYSA-N -1 3 382.460 3.707 20 0 GHADHM COc1cccc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)c1[O-] ZINC000436957672 852547994 /nfs/dbraw/zinc/54/79/94/852547994.db2.gz ZSYUURXLDKCYJI-UHFFFAOYSA-N -1 3 387.193 3.528 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436991398 852580298 /nfs/dbraw/zinc/58/02/98/852580298.db2.gz XVOGKKKKUDBDJG-CYBMUJFWSA-N -1 3 375.494 3.599 20 0 GHADHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000437000076 852614724 /nfs/dbraw/zinc/61/47/24/852614724.db2.gz LAXXYVQZVYFEJZ-UHFFFAOYSA-N -1 3 394.796 3.720 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000427066041 852669981 /nfs/dbraw/zinc/66/99/81/852669981.db2.gz XQOLCPCPXDXSDX-UHFFFAOYSA-N -1 3 388.258 3.768 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000427066041 852669993 /nfs/dbraw/zinc/66/99/93/852669993.db2.gz XQOLCPCPXDXSDX-UHFFFAOYSA-N -1 3 388.258 3.768 20 0 GHADHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473853888 852687060 /nfs/dbraw/zinc/68/70/60/852687060.db2.gz FBMAWYWBESJEBJ-IIBYNOLFSA-N -1 3 391.471 3.680 20 0 GHADHM COc1ccc([C@@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)cc1 ZINC000516576542 852743756 /nfs/dbraw/zinc/74/37/56/852743756.db2.gz VNLVUZCDWHCQCH-MRXNPFEDSA-N -1 3 375.852 3.915 20 0 GHADHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc(Br)c1[O-] ZINC000518048833 852764747 /nfs/dbraw/zinc/76/47/47/852764747.db2.gz UGCMMKLGCVMXQX-QGZVFWFLSA-N -1 3 389.293 3.722 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732655754 862408144 /nfs/dbraw/zinc/40/81/44/862408144.db2.gz ZIEXAAGSMIOHJN-HNNXBMFYSA-N -1 3 397.175 3.565 20 0 GHADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000427308201 852967912 /nfs/dbraw/zinc/96/79/12/852967912.db2.gz MCPJGYMUNZTLNA-UHFFFAOYSA-N -1 3 389.882 3.525 20 0 GHADHM CCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCOCC1 ZINC000490448636 853033042 /nfs/dbraw/zinc/03/30/42/853033042.db2.gz WZLZOSFXXJMRGS-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)CC(C)(C)O4)ccc2O1 ZINC000507583972 853070894 /nfs/dbraw/zinc/07/08/94/853070894.db2.gz QFRVYXOAXRWVBB-GFCCVEGCSA-N -1 3 387.457 3.555 20 0 GHADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)o1 ZINC000490537741 853092486 /nfs/dbraw/zinc/09/24/86/853092486.db2.gz UMWNLNCZMUZNCS-UHFFFAOYSA-N -1 3 380.363 3.572 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C(C)=O)C3CC3)cc2)c(C)c1 ZINC000516908330 853130274 /nfs/dbraw/zinc/13/02/74/853130274.db2.gz SDXIOVMMVXNBKM-UHFFFAOYSA-N -1 3 388.489 3.710 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507635441 853130485 /nfs/dbraw/zinc/13/04/85/853130485.db2.gz LJMVOYVXAMUMHP-UHFFFAOYSA-N -1 3 386.832 3.555 20 0 GHADHM Cc1ccc(-c2noc(CCCOC(=O)c3cc(-c4ccco4)[n-]n3)n2)cc1F ZINC000913301900 853212131 /nfs/dbraw/zinc/21/21/31/853212131.db2.gz GBWGWSREJOTINE-UHFFFAOYSA-N -1 3 396.378 3.957 20 0 GHADHM Cc1ccc(-c2noc(CCCOC(=O)c3cc(-c4ccco4)n[n-]3)n2)cc1F ZINC000913301900 853212132 /nfs/dbraw/zinc/21/21/32/853212132.db2.gz GBWGWSREJOTINE-UHFFFAOYSA-N -1 3 396.378 3.957 20 0 GHADHM CCOc1ccc(-c2nc(CN3CCC[C@H]3CC(=O)[O-])cs2)cc1OC ZINC000518387044 853292644 /nfs/dbraw/zinc/29/26/44/853292644.db2.gz WQQRMNSRVBPBEZ-HNNXBMFYSA-N -1 3 376.478 3.657 20 0 GHADHM O=S(=O)([N-]Cc1nc(-c2ccccc2F)cs1)c1ccc(F)cc1F ZINC000518452008 853357460 /nfs/dbraw/zinc/35/74/60/853357460.db2.gz YUXUFXXUVPTDKK-UHFFFAOYSA-N -1 3 384.404 3.706 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3nccn3C)c3ccccc3)nc2)n1 ZINC000517162710 853452251 /nfs/dbraw/zinc/45/22/51/853452251.db2.gz KBUKHVGOSPXNPN-FQEVSTJZSA-N -1 3 386.459 3.742 20 0 GHADHM CC(C)(C)[C@@H](COc1ccccc1F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000732747666 862467188 /nfs/dbraw/zinc/46/71/88/862467188.db2.gz UBLWGWRVKZHLLD-KVVHSQDJSA-N -1 3 382.435 3.520 20 0 GHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000570912694 853502236 /nfs/dbraw/zinc/50/22/36/853502236.db2.gz MEYNRKJLLCRTTG-UHFFFAOYSA-N -1 3 390.241 3.906 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000586758980 853526172 /nfs/dbraw/zinc/52/61/72/853526172.db2.gz GIOLDFDLGKEUCQ-UHFFFAOYSA-N -1 3 391.471 3.595 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H](CC)Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000586811869 853539823 /nfs/dbraw/zinc/53/98/23/853539823.db2.gz WOVIDDRWAUGLCP-GFCCVEGCSA-N -1 3 383.370 3.813 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H](CC)Cc2ccc(C(F)(F)F)cc2)c[n-]1 ZINC000586811869 853539832 /nfs/dbraw/zinc/53/98/32/853539832.db2.gz WOVIDDRWAUGLCP-GFCCVEGCSA-N -1 3 383.370 3.813 20 0 GHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437855821 853608115 /nfs/dbraw/zinc/60/81/15/853608115.db2.gz ZSSDHRCGMISMTB-YOEHRIQHSA-N -1 3 397.541 3.889 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=S)Nc2cccc(C)c2C)cc1OC ZINC000054984170 853624280 /nfs/dbraw/zinc/62/42/80/853624280.db2.gz KZPHKMBYPICPKF-UHFFFAOYSA-N -1 3 393.534 3.883 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@@]3(O)CCCC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000437916925 853683366 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GHADHM CC(C)COc1ccc(C2(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CCC2)cc1 ZINC000481925950 862533162 /nfs/dbraw/zinc/53/31/62/862533162.db2.gz NORSHPFEWXJQIN-UHFFFAOYSA-N -1 3 396.413 3.596 20 0 GHADHM CC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000520376525 854145451 /nfs/dbraw/zinc/14/54/51/854145451.db2.gz CPSQCFDBTJGVHB-HNNXBMFYSA-N -1 3 376.453 3.641 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2CCC(C(=O)OC(C)(C)C)CC2)sc1Cl ZINC000473941029 854354246 /nfs/dbraw/zinc/35/42/46/854354246.db2.gz BDGGBDJXMMJCJV-UHFFFAOYSA-N -1 3 393.958 3.889 20 0 GHADHM CCOc1cc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)ccc1C ZINC000113029965 854389625 /nfs/dbraw/zinc/38/96/25/854389625.db2.gz PJHYUTPMWFTRHF-UHFFFAOYSA-N -1 3 377.444 3.959 20 0 GHADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000123988334 854473997 /nfs/dbraw/zinc/47/39/97/854473997.db2.gz XSFIHWSZYQOCBC-QMMMGPOBSA-N -1 3 381.342 3.623 20 0 GHADHM CCn1ccc(CN[C@H](C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000624000006 862574671 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O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccn2)C1)c1c(Cl)cccc1Cl ZINC000572712318 854944741 /nfs/dbraw/zinc/94/47/41/854944741.db2.gz QNTKTHSMDVWVNN-IAQYHMDHSA-N -1 3 387.288 3.587 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(Oc4cnccn4)c3)[nH][n-]2)c1 ZINC000572884937 855032931 /nfs/dbraw/zinc/03/29/31/855032931.db2.gz CQPBAAGJKNNSDP-UHFFFAOYSA-N -1 3 385.427 3.950 20 0 GHADHM CSc1nc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n[n-]1 ZINC000589691354 855109841 /nfs/dbraw/zinc/10/98/41/855109841.db2.gz CZIMBZXPNMKAQK-UHFFFAOYSA-N -1 3 376.445 3.632 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)[n-]1 ZINC000589716232 855122807 /nfs/dbraw/zinc/12/28/07/855122807.db2.gz SZSKSRWYXSPGBT-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c[n-]1 ZINC000589716232 855122811 /nfs/dbraw/zinc/12/28/11/855122811.db2.gz SZSKSRWYXSPGBT-UHFFFAOYSA-N -1 3 394.309 3.513 20 0 GHADHM CO[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CCC1 ZINC000665056662 855165619 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COc1ccc([C@H](N/C=C2/C(=O)[N-]C(=O)c3ccccc32)c2ccccc2)cc1 ZINC000057676045 855589840 /nfs/dbraw/zinc/58/98/40/855589840.db2.gz RCZARHRFXFYJFY-ONQWYEKWSA-N -1 3 384.435 3.685 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)CC2)cc1Cl ZINC000190664830 855629362 /nfs/dbraw/zinc/62/93/62/855629362.db2.gz OOWBSUCABPOMFT-ZYHUDNBSSA-N -1 3 376.881 3.685 20 0 GHADHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000152356855 855733578 /nfs/dbraw/zinc/73/35/78/855733578.db2.gz ZBNFSILBLTXWSN-SECBINFHSA-N -1 3 378.302 3.995 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCN(CC(F)(F)F)C[C@@H](C)C3)c2c1 ZINC000573093489 855860720 /nfs/dbraw/zinc/86/07/20/855860720.db2.gz LTWOMTRKFRFVOT-CYBMUJFWSA-N -1 3 381.398 3.562 20 0 GHADHM CCC(CC)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000591289501 855886216 /nfs/dbraw/zinc/88/62/16/855886216.db2.gz OMIGTWXYYUAMBH-UHFFFAOYSA-N -1 3 378.469 3.793 20 0 GHADHM O=S(=O)([N-]C[C@H](c1cccs1)N1CCCC1)c1ccc(Cl)s1 ZINC000057705024 856001535 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3.902 20 0 GHADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485127710 856127686 /nfs/dbraw/zinc/12/76/86/856127686.db2.gz BUHJKKVPNZJHLV-SNVBAGLBSA-N -1 3 384.342 3.902 20 0 GHADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)c1Cl ZINC000674332238 856189721 /nfs/dbraw/zinc/18/97/21/856189721.db2.gz UEZOTQQZYPFTNT-UHFFFAOYSA-N -1 3 384.235 3.680 20 0 GHADHM CON(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCCC1 ZINC000760868691 856220968 /nfs/dbraw/zinc/22/09/68/856220968.db2.gz WCUSKXIZVBBVLH-UHFFFAOYSA-N -1 3 399.672 3.890 20 0 GHADHM CC(C)(C)c1nsc([N-]C(=O)c2cnn3c2nccc3-c2ccccc2)n1 ZINC000057823050 856230385 /nfs/dbraw/zinc/23/03/85/856230385.db2.gz MXFKLIBSHMASQV-UHFFFAOYSA-N -1 3 378.461 3.798 20 0 GHADHM CCN(Cc1ccccc1Br)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436761227 856302201 /nfs/dbraw/zinc/30/22/01/856302201.db2.gz XCVKURQKJUXGFG-UHFFFAOYSA-N -1 3 378.222 3.546 20 0 GHADHM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](c3ccco3)N3CCCC3)c12 ZINC000573613530 856316893 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CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000472362366 856663867 /nfs/dbraw/zinc/66/38/67/856663867.db2.gz VVERUPNYMSOYID-AWEZNQCLSA-N -1 3 398.484 3.875 20 0 GHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(OCc4cccnc4)cc3)no1)OCO2 ZINC000436890258 856671371 /nfs/dbraw/zinc/67/13/71/856671371.db2.gz FEFIUAIIKOTOEK-UHFFFAOYSA-N -1 3 389.367 3.812 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(C)c(C)c2)sc1Br ZINC001212442990 856691734 /nfs/dbraw/zinc/69/17/34/856691734.db2.gz UGEZKZPJKRBNOP-UHFFFAOYSA-N -1 3 388.352 3.957 20 0 GHADHM C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000672173758 856770211 /nfs/dbraw/zinc/77/02/11/856770211.db2.gz JSBPUTAPPRVWEE-SCLBCKFNSA-N -1 3 379.378 3.775 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000045939603 856787226 /nfs/dbraw/zinc/78/72/26/856787226.db2.gz LMVPKIUZNWFPNN-IBGZPJMESA-N -1 3 388.489 3.557 20 0 GHADHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045947233 856788198 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CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c([O-])c1 ZINC000190877456 856891635 /nfs/dbraw/zinc/89/16/35/856891635.db2.gz ZIDACIQLNFAAPU-GOSISDBHSA-N -1 3 395.503 3.937 20 0 GHADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508095766 856906377 /nfs/dbraw/zinc/90/63/77/856906377.db2.gz LEIFLEYROVRMSY-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1nc2ccccc2cc1Cl ZINC000485688369 856926544 /nfs/dbraw/zinc/92/65/44/856926544.db2.gz YLHMIVOXJOQPTN-UHFFFAOYSA-N -1 3 375.837 3.512 20 0 GHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111650768 856968618 /nfs/dbraw/zinc/96/86/18/856968618.db2.gz SPJZJJZQZARYNB-APWZRJJASA-N -1 3 398.890 3.666 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 ZINC000760605394 856986232 /nfs/dbraw/zinc/98/62/32/856986232.db2.gz BTFPCKGGQOCNSM-UHFFFAOYSA-N -1 3 381.325 3.654 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047327523 856994068 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GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Oc1cccnc1 ZINC000057126400 857150186 /nfs/dbraw/zinc/15/01/86/857150186.db2.gz JDAWCXTYIZKBOH-UHFFFAOYSA-N -1 3 382.441 3.918 20 0 GHADHM Cc1cnc([C@@H](C)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000428233202 857226015 /nfs/dbraw/zinc/22/60/15/857226015.db2.gz RAPJIQFEUQMCSU-QGZVFWFLSA-N -1 3 396.516 3.779 20 0 GHADHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H](C)C1 ZINC000112954184 857236463 /nfs/dbraw/zinc/23/64/63/857236463.db2.gz CBZBWYKOKZLWJR-GYSYKLTISA-N -1 3 377.282 3.845 20 0 GHADHM CN(CCOc1cc(Cl)cc(Cl)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000520825590 857244066 /nfs/dbraw/zinc/24/40/66/857244066.db2.gz KOIKOVLJDDTZTN-UHFFFAOYSA-N -1 3 384.259 3.968 20 0 GHADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001128210016 857258156 /nfs/dbraw/zinc/25/81/56/857258156.db2.gz OLEVKSJYHYMQKJ-DHZHZOJOSA-N -1 3 384.432 3.537 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000520836471 857263982 /nfs/dbraw/zinc/26/39/82/857263982.db2.gz PDYZTONEEMPVRT-AWEZNQCLSA-N -1 3 375.881 3.720 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)c1 ZINC001212371071 857352356 /nfs/dbraw/zinc/35/23/56/857352356.db2.gz ZBYUQEXCSVSNSY-UHFFFAOYSA-N -1 3 385.894 3.546 20 0 GHADHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1Br ZINC000486049737 857363616 /nfs/dbraw/zinc/36/36/16/857363616.db2.gz DZNGYYWHQBAYFM-RQOWECAXSA-N -1 3 384.233 3.773 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000675455254 857393821 /nfs/dbraw/zinc/39/38/21/857393821.db2.gz WFLPWGWJINPBHU-UHFFFAOYSA-N -1 3 388.464 3.959 20 0 GHADHM CCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)c1CC ZINC000486130414 857460378 /nfs/dbraw/zinc/46/03/78/857460378.db2.gz ZSFDSPCHRYDKFN-UHFFFAOYSA-N -1 3 391.489 3.554 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000465985782 857526295 /nfs/dbraw/zinc/52/62/95/857526295.db2.gz VCINHSTWVAMFIH-AWEZNQCLSA-N -1 3 377.847 3.653 20 0 GHADHM O=C(CCc1nc2cc(Cl)ccc2s1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000593410468 857551587 /nfs/dbraw/zinc/55/15/87/857551587.db2.gz YLRPXNKIKHPVHR-UHFFFAOYSA-N -1 3 383.864 3.728 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2Br)c([O-])c1 ZINC000486232664 857574806 /nfs/dbraw/zinc/57/48/06/857574806.db2.gz VYFOECJNRJLUKN-UHFFFAOYSA-N -1 3 396.212 3.652 20 0 GHADHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)[nH]1 ZINC000486258951 857596755 /nfs/dbraw/zinc/59/67/55/857596755.db2.gz WUNQPXWBXOZLNS-NEPJUHHUSA-N -1 3 395.467 3.672 20 0 GHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000442216947 857631960 /nfs/dbraw/zinc/63/19/60/857631960.db2.gz ICIOKMFAMLOZCM-RTBURBONSA-N -1 3 393.530 3.892 20 0 GHADHM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1cccc2c1OCCO2 ZINC000676028550 857714227 /nfs/dbraw/zinc/71/42/27/857714227.db2.gz CTLGNUUDPYBDNP-UHFFFAOYSA-N -1 3 375.780 3.850 20 0 GHADHM CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@H](CO)c1ccccc1 ZINC000922081336 857759471 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COc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c([O-])c1 ZINC000066034019 857897548 /nfs/dbraw/zinc/89/75/48/857897548.db2.gz YVRMQFNDMLUIFG-UHFFFAOYSA-N -1 3 382.460 3.850 20 0 GHADHM C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000066852610 857975787 /nfs/dbraw/zinc/97/57/87/857975787.db2.gz ONDGHJAFRDUVNX-KBXCAEBGSA-N -1 3 375.428 3.631 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1-c1cccc2cccnc21 ZINC000067168567 858006649 /nfs/dbraw/zinc/00/66/49/858006649.db2.gz WQAXYKDYUFETSI-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(CCCO)Cc3ccccc3)cc2)cc(=O)[n-]1 ZINC000486717993 858019495 /nfs/dbraw/zinc/01/94/95/858019495.db2.gz BGXKTVUUNQEZDM-UHFFFAOYSA-N -1 3 392.459 3.574 20 0 GHADHM Cc1nc(C(C)C)oc1C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908342264 858044001 /nfs/dbraw/zinc/04/40/01/858044001.db2.gz XZXRMIBPUSURLX-UHFFFAOYSA-N -1 3 388.212 3.672 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000574577885 858067195 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GHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(O)ccc1C(F)(F)F ZINC000574707168 858171202 /nfs/dbraw/zinc/17/12/02/858171202.db2.gz SSKZIHMPYUODET-UHFFFAOYSA-N -1 3 383.276 3.754 20 0 GHADHM O=C(c1[nH]ccc1-c1c(Cl)cccc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000442888510 858209709 /nfs/dbraw/zinc/20/97/09/858209709.db2.gz CCTDVVWBPQZYTG-UHFFFAOYSA-N -1 3 389.242 3.683 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(I)cc2)[C@@H]2CCCC[C@H]12 ZINC000594733738 858267882 /nfs/dbraw/zinc/26/78/82/858267882.db2.gz DRXDBIXBLBZWDE-BZUAXINKSA-N -1 3 399.272 3.757 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000443021091 858299229 /nfs/dbraw/zinc/29/92/29/858299229.db2.gz NOJLQGNCPQMSEN-IBGZPJMESA-N -1 3 391.464 3.822 20 0 GHADHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)cc1)c1cnccc1C(F)(F)F ZINC000682368104 858313052 /nfs/dbraw/zinc/31/30/52/858313052.db2.gz DNWTZRMMRHREPK-UHFFFAOYSA-N -1 3 398.328 3.640 20 0 GHADHM COc1ccc(C)cc1S(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000443043396 858327436 /nfs/dbraw/zinc/32/74/36/858327436.db2.gz ZSVMAXVXNHXWGC-HNNXBMFYSA-N -1 3 395.349 3.864 20 0 GHADHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212504723 858327904 /nfs/dbraw/zinc/32/79/04/858327904.db2.gz NNPQGRWLNRZIAV-AWEZNQCLSA-N -1 3 388.942 3.539 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000443111045 858369187 /nfs/dbraw/zinc/36/91/87/858369187.db2.gz PXEYQWNFVJXHFP-CQSZACIVSA-N -1 3 395.452 3.506 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(C)C ZINC000443093205 858371702 /nfs/dbraw/zinc/37/17/02/858371702.db2.gz MCMGFATUHSVCIA-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000443130117 858396990 /nfs/dbraw/zinc/39/69/90/858396990.db2.gz MRSXETJOMMJLME-RYUDHWBXSA-N -1 3 399.559 3.640 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1OC ZINC000062138556 863027598 /nfs/dbraw/zinc/02/75/98/863027598.db2.gz ZGRWQTRABRVJHS-UHFFFAOYSA-N -1 3 377.462 3.826 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)c(Cl)c3)ccc2O1 ZINC000595127217 858423870 /nfs/dbraw/zinc/42/38/70/858423870.db2.gz HMLVXULPIHWPAM-GFCCVEGCSA-N -1 3 389.864 3.650 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1cccc(F)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000443271354 858519818 /nfs/dbraw/zinc/51/98/18/858519818.db2.gz YPRGHMMNEMRCPU-ZDUSSCGKSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC000115475712 858540404 /nfs/dbraw/zinc/54/04/04/858540404.db2.gz QLHFFNHLUJIFMD-OAHLLOKOSA-N -1 3 377.444 3.708 20 0 GHADHM O=S(=O)([N-]CCCc1cccc(Br)c1)c1ccc(F)cc1F ZINC000595609783 858629945 /nfs/dbraw/zinc/62/99/45/858629945.db2.gz NZHNBNRRHLPZSV-UHFFFAOYSA-N -1 3 390.249 3.638 20 0 GHADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(Cl)c1 ZINC000443406859 858647027 /nfs/dbraw/zinc/64/70/27/858647027.db2.gz GIFDSYJBHLZMDR-UHFFFAOYSA-N -1 3 394.880 3.813 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@@H]2CCC[C@@H](C)C2)[nH][n-]1 ZINC000522141255 858663084 /nfs/dbraw/zinc/66/30/84/858663084.db2.gz PJORMRMDBCXZSG-TZMCWYRMSA-N -1 3 377.872 3.694 20 0 GHADHM CC[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Br)cc1 ZINC000761137999 858708028 /nfs/dbraw/zinc/70/80/28/858708028.db2.gz ZMDASBYHZPFSRT-INIZCTEOSA-N -1 3 392.249 3.579 20 0 GHADHM C[C@H](CCCC(=O)[O-])NCc1cc(Cl)ccc1I ZINC000596020259 858761392 /nfs/dbraw/zinc/76/13/92/858761392.db2.gz HJGCXRKWGSZRAK-SECBINFHSA-N -1 3 381.641 3.678 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2cccc(OCc3ccc(F)cc3)c2)n[n-]1 ZINC000895235158 858828474 /nfs/dbraw/zinc/82/84/74/858828474.db2.gz LQUYTHANWDWJOA-CQSZACIVSA-N -1 3 398.438 3.550 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2cccc(OCc3ccc(F)cc3)c2)[n-]1 ZINC000895235158 858828485 /nfs/dbraw/zinc/82/84/85/858828485.db2.gz LQUYTHANWDWJOA-CQSZACIVSA-N -1 3 398.438 3.550 20 0 GHADHM CCOC(=O)c1nc([C@H](C)NCc2csc(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000895236700 858840106 /nfs/dbraw/zinc/84/01/06/858840106.db2.gz PEVYYSUZWSYPBC-JTQLQIEISA-N -1 3 391.884 3.609 20 0 GHADHM CCOC(=O)c1nnc([C@H](C)NCc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000895236700 858840119 /nfs/dbraw/zinc/84/01/19/858840119.db2.gz PEVYYSUZWSYPBC-JTQLQIEISA-N -1 3 391.884 3.609 20 0 GHADHM CCOC(=O)c1nc([C@@H](C)NCc2c(Cl)cccc2SC(C)C)n[n-]1 ZINC000895239185 858849124 /nfs/dbraw/zinc/84/91/24/858849124.db2.gz MRSOOVZLQZPERU-LLVKDONJSA-N -1 3 382.917 3.986 20 0 GHADHM CCOC(=O)c1nnc([C@@H](C)NCc2c(Cl)cccc2SC(C)C)[n-]1 ZINC000895239185 858849136 /nfs/dbraw/zinc/84/91/36/858849136.db2.gz MRSOOVZLQZPERU-LLVKDONJSA-N -1 3 382.917 3.986 20 0 GHADHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2c(Cl)cccc2SC(C)C)n1 ZINC000895239185 858849146 /nfs/dbraw/zinc/84/91/46/858849146.db2.gz MRSOOVZLQZPERU-LLVKDONJSA-N -1 3 382.917 3.986 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000443503417 858852919 /nfs/dbraw/zinc/85/29/19/858852919.db2.gz STNOPWUFMUCBCJ-UHFFFAOYSA-N -1 3 384.295 3.757 20 0 GHADHM COc1cc(C(=O)N(C)CCCOc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000482987759 859043269 /nfs/dbraw/zinc/04/32/69/859043269.db2.gz DZCZQHFHFXLYML-UHFFFAOYSA-N -1 3 379.840 3.604 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000068577862 859101791 /nfs/dbraw/zinc/10/17/91/859101791.db2.gz YWBMYYSJKVFIMN-OAHLLOKOSA-N -1 3 392.440 3.549 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000483109426 859153106 /nfs/dbraw/zinc/15/31/06/859153106.db2.gz WJENCENZIFTXAY-UHFFFAOYSA-N -1 3 388.420 3.699 20 0 GHADHM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000509380399 859237580 /nfs/dbraw/zinc/23/75/80/859237580.db2.gz WHJWVIREYIVZBD-UHFFFAOYSA-N -1 3 396.468 3.819 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)cc1 ZINC000509397264 859306946 /nfs/dbraw/zinc/30/69/46/859306946.db2.gz RXYNSFIRQPCYFG-UHFFFAOYSA-N -1 3 396.512 3.971 20 0 GHADHM CSC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCC1 ZINC000429415148 859312509 /nfs/dbraw/zinc/31/25/09/859312509.db2.gz HIKYFAYFBGXYEV-UHFFFAOYSA-N -1 3 384.274 3.624 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(OC)c(OC)c2Br)C1 ZINC000923472764 859356380 /nfs/dbraw/zinc/35/63/80/859356380.db2.gz YMRINJRJWLJXFF-QGZVFWFLSA-N -1 3 386.286 3.543 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000923472812 859356642 /nfs/dbraw/zinc/35/66/42/859356642.db2.gz ZHSPOHFPLCNYKQ-QFIPXVFZSA-N -1 3 386.536 3.582 20 0 GHADHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000470773045 859387769 /nfs/dbraw/zinc/38/77/69/859387769.db2.gz MQJXLNWCUPQPBN-UHFFFAOYSA-N -1 3 379.881 3.658 20 0 GHADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc2F)c1 ZINC000543683404 859418903 /nfs/dbraw/zinc/41/89/03/859418903.db2.gz OCMUWXBLAGDKTE-CQSZACIVSA-N -1 3 393.406 3.575 20 0 GHADHM CN(C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1)C(=O)OC(C)(C)C ZINC000764438631 859450211 /nfs/dbraw/zinc/45/02/11/859450211.db2.gz PIOXRMCHDQRACE-ZDUSSCGKSA-N -1 3 382.888 3.765 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3nc(C(C)(C)C)no3)cc2)cc(=O)[n-]1 ZINC000466444848 859516894 /nfs/dbraw/zinc/51/68/94/859516894.db2.gz ZPZDFZYNXMPPCZ-LLVKDONJSA-N -1 3 396.451 3.721 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CO)c3ccc(Cl)cc3)nc2)n1 ZINC000673477607 859523781 /nfs/dbraw/zinc/52/37/81/859523781.db2.gz VRNSZZXDJGVEAD-OAHLLOKOSA-N -1 3 384.867 3.648 20 0 GHADHM Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503539 859612515 /nfs/dbraw/zinc/61/25/15/859612515.db2.gz JIJSMSDOMDHGRT-JSGCOSHPSA-N -1 3 381.432 3.543 20 0 GHADHM Cc1ccc(CCCCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000673505195 859612699 /nfs/dbraw/zinc/61/26/99/859612699.db2.gz ADHDLIWVGXUSMT-IAGOWNOFSA-N -1 3 383.492 3.588 20 0 GHADHM CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc3cc(Cl)ccc3o2)o1 ZINC000143566536 859621964 /nfs/dbraw/zinc/62/19/64/859621964.db2.gz JCDFBPZZSJSRCR-UHFFFAOYSA-N -1 3 389.839 3.596 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000673503945 859627308 /nfs/dbraw/zinc/62/73/08/859627308.db2.gz MGVQGKSYJUCSSS-OLZOCXBDSA-N -1 3 397.406 3.579 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2cc(F)ccc2F)s1 ZINC000474221171 859637742 /nfs/dbraw/zinc/63/77/42/859637742.db2.gz QIKVKYNBYLMWRX-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCc4ccc(C)cc43)nc(=O)c2c1C ZINC000611207696 859644780 /nfs/dbraw/zinc/64/47/80/859644780.db2.gz ISDPZIUOTKGIMT-ZDUSSCGKSA-N -1 3 397.500 3.902 20 0 GHADHM C[C@H](c1ccccn1)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000543432690 859703505 /nfs/dbraw/zinc/70/35/05/859703505.db2.gz OOEAYXDZDKLJKK-LLVKDONJSA-N -1 3 386.249 3.519 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484258888 859905019 /nfs/dbraw/zinc/90/50/19/859905019.db2.gz PHUBOMTUJVYYBJ-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc4ccccc4c3)nc2)n1 ZINC000597896333 859912534 /nfs/dbraw/zinc/91/25/34/859912534.db2.gz USHGLXXLIPVICJ-UHFFFAOYSA-N -1 3 386.455 3.873 20 0 GHADHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000517046610 859950473 /nfs/dbraw/zinc/95/04/73/859950473.db2.gz CUSIOOPRJAEYQT-AWEZNQCLSA-N -1 3 383.469 3.830 20 0 GHADHM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CCCC1 ZINC000053333785 859952223 /nfs/dbraw/zinc/95/22/23/859952223.db2.gz ZAOKEVAIUQZZGJ-UHFFFAOYSA-N -1 3 376.453 3.641 20 0 GHADHM Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000010555186 860038096 /nfs/dbraw/zinc/03/80/96/860038096.db2.gz LCFIOWHNPFEJDC-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436558829 860079443 /nfs/dbraw/zinc/07/94/43/860079443.db2.gz ZPKREFNCWZXGBO-CYBMUJFWSA-N -1 3 380.400 3.668 20 0 GHADHM CCO[C@H](c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1)C1CCCC1 ZINC000904144895 860175837 /nfs/dbraw/zinc/17/58/37/860175837.db2.gz DEYRHTKFZIEVHX-PBHICJAKSA-N -1 3 393.509 3.685 20 0 GHADHM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471711221 860178588 /nfs/dbraw/zinc/17/85/88/860178588.db2.gz GPXRWRQTBBNBOP-SFHVURJKSA-N -1 3 378.453 3.699 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C)c(Cl)cc1Cl ZINC000727737398 860208590 /nfs/dbraw/zinc/20/85/90/860208590.db2.gz VMGJULWUKJRZSU-ISTVAULSSA-N -1 3 393.336 3.599 20 0 GHADHM CO[C@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccc(Cl)cc1 ZINC000904220140 860242239 /nfs/dbraw/zinc/24/22/39/860242239.db2.gz LYLIOHZHOOBXRO-GOSISDBHSA-N -1 3 392.883 3.711 20 0 GHADHM C[C@@H](CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1)Oc1ccc(Cl)cc1 ZINC000904220138 860242774 /nfs/dbraw/zinc/24/27/74/860242774.db2.gz LYKNRWGOXVSHHK-AWEZNQCLSA-N -1 3 392.883 3.791 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](c2ccccc2)C1 ZINC000602753404 860257033 /nfs/dbraw/zinc/25/70/33/860257033.db2.gz HFFRVLUNMBOVII-CQSZACIVSA-N -1 3 397.272 3.920 20 0 GHADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000904238325 860276462 /nfs/dbraw/zinc/27/64/62/860276462.db2.gz MGDFGIHTVCMNED-INIZCTEOSA-N -1 3 389.502 3.509 20 0 GHADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000904429363 860431305 /nfs/dbraw/zinc/43/13/05/860431305.db2.gz FRXHHCARDLSWSS-ZWKOTPCHSA-N -1 3 387.911 3.994 20 0 GHADHM COC(=O)c1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)n2c1CCCC2 ZINC000598585362 860432865 /nfs/dbraw/zinc/43/28/65/860432865.db2.gz BGLQHJBDRDQVCU-QGZVFWFLSA-N -1 3 390.867 3.570 20 0 GHADHM COC(=O)C(C)(C)c1csc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000598737193 860536700 /nfs/dbraw/zinc/53/67/00/860536700.db2.gz SJPBVYUGVOBAJC-UHFFFAOYSA-N -1 3 388.367 3.570 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000474656403 860577077 /nfs/dbraw/zinc/57/70/77/860577077.db2.gz KTTINRMUZNNKAV-UHFFFAOYSA-N -1 3 387.793 3.566 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C3)nc2)n1 ZINC000599146098 860822466 /nfs/dbraw/zinc/82/24/66/860822466.db2.gz DIGXVSOHWRDERU-PBHICJAKSA-N -1 3 398.507 3.611 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc(F)c(F)c(F)c1 ZINC000481248898 860840605 /nfs/dbraw/zinc/84/06/05/860840605.db2.gz 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3.545 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CCCC2(CC2)C1 ZINC000622887087 865681366 /nfs/dbraw/zinc/68/13/66/865681366.db2.gz LTKDRTFFQCCTNG-VIFPVBQESA-N -1 3 380.208 3.539 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1F)c1nc(C(F)(F)F)cs1 ZINC000481024754 865700426 /nfs/dbraw/zinc/70/04/26/865700426.db2.gz OTUVVURUPQJCAD-JTQLQIEISA-N -1 3 398.403 3.739 20 0 GHADHM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(F)c(F)c(F)c1 ZINC000172810989 865709505 /nfs/dbraw/zinc/70/95/05/865709505.db2.gz CWVTZXXRCIJWJR-HNNXBMFYSA-N -1 3 397.378 3.633 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(F)c2C)c(=O)[n-]1 ZINC000622913371 865775816 /nfs/dbraw/zinc/77/58/16/865775816.db2.gz ZTBJGYNCBFFUMI-UHFFFAOYSA-N -1 3 382.233 3.580 20 0 GHADHM O=C(OCc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740214536 865860069 /nfs/dbraw/zinc/86/00/69/865860069.db2.gz PHVJXGFHPRVOFE-FQEVSTJZSA-N -1 3 375.424 3.893 20 0 GHADHM Cc1cc2c(ncnc2N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)s1 ZINC000444404285 866077495 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GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccn1 ZINC000121225844 881981154 /nfs/dbraw/zinc/98/11/54/881981154.db2.gz NCPAOWLAPZMEIR-NRFANRHFSA-N -1 3 394.452 3.904 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CCC(C2CCC2)CC1 ZINC000620472014 866781838 /nfs/dbraw/zinc/78/18/38/866781838.db2.gz RAGCSNQGURKZOE-UHFFFAOYSA-N -1 3 394.519 3.548 20 0 GHADHM CCn1c(SCC(=O)Nc2ccc(Cl)cc2[O-])nnc1-c1ccco1 ZINC000153651889 867005414 /nfs/dbraw/zinc/00/54/14/867005414.db2.gz IJDYLZZJXJAUKU-UHFFFAOYSA-N -1 3 378.841 3.648 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccccc1Sc1ccccc1 ZINC000523307059 867038480 /nfs/dbraw/zinc/03/84/80/867038480.db2.gz ZSUZAPABHKTESN-UHFFFAOYSA-N -1 3 392.480 3.590 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)c1 ZINC000456808424 867161763 /nfs/dbraw/zinc/16/17/63/867161763.db2.gz JMZJPZMSRXGZJM-UHFFFAOYSA-N -1 3 388.414 3.724 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456810584 867165488 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CCOC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nc1 ZINC000479211686 867363143 /nfs/dbraw/zinc/36/31/43/867363143.db2.gz DHLHZKNTHFNZKA-UHFFFAOYSA-N -1 3 388.836 3.683 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000523510605 867425156 /nfs/dbraw/zinc/42/51/56/867425156.db2.gz QYEXLEWWXKIYIT-UHFFFAOYSA-N -1 3 397.372 3.582 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000183711027 867431617 /nfs/dbraw/zinc/43/16/17/867431617.db2.gz VIZKEXKNZBGSED-AWEZNQCLSA-N -1 3 389.886 3.617 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)N3CCOCC3)cc2)cc1Cl ZINC000479323119 867567242 /nfs/dbraw/zinc/56/72/42/867567242.db2.gz YHDJUEIWXKMRPA-HNNXBMFYSA-N -1 3 394.924 3.842 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1nccs1 ZINC000553501343 867583494 /nfs/dbraw/zinc/58/34/94/867583494.db2.gz MMSVGKFYPLDOOC-ZDUSSCGKSA-N -1 3 398.403 3.785 20 0 GHADHM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000737476461 867596899 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O=C(Nc1cccc([O-])c1F)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000534945573 867807560 /nfs/dbraw/zinc/80/75/60/867807560.db2.gz ZLVNWWQBKLXGLK-KRWDZBQOSA-N -1 3 399.249 3.850 20 0 GHADHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)c2ccccn2)cc1 ZINC000523737360 867873512 /nfs/dbraw/zinc/87/35/12/867873512.db2.gz VMEULKRCPOZZRQ-GOSISDBHSA-N -1 3 388.439 3.931 20 0 GHADHM CC(C)(C)C1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000457330200 868112430 /nfs/dbraw/zinc/11/24/30/868112430.db2.gz OOOWGMISQGJYJW-UHFFFAOYSA-N -1 3 390.480 3.745 20 0 GHADHM NC(=O)c1ccc(-c2nc(COC(=O)c3cc(Cl)c(Cl)[n-]3)cs2)cc1 ZINC000920517400 882159039 /nfs/dbraw/zinc/15/90/39/882159039.db2.gz AEAXGBVBUDRXGY-UHFFFAOYSA-N -1 3 396.255 3.901 20 0 GHADHM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000535120905 868205846 /nfs/dbraw/zinc/20/58/46/868205846.db2.gz QUSMQTVWTMRCCM-SNVBAGLBSA-N -1 3 377.231 3.606 20 0 GHADHM Cc1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cccc1N1CCOC1=O ZINC000743814755 868429585 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COc1ccc(OCCCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000744216110 868671050 /nfs/dbraw/zinc/67/10/50/868671050.db2.gz FGIKTYNUBHIRRD-UHFFFAOYSA-N -1 3 394.427 3.931 20 0 GHADHM Cc1nn(-c2ccccc2)cc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744217426 868673849 /nfs/dbraw/zinc/67/38/49/868673849.db2.gz KKACODJDSWDCOX-UHFFFAOYSA-N -1 3 386.411 3.871 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCc3nc(C(C)(C)C)no3)c2)n1 ZINC000744218077 868674167 /nfs/dbraw/zinc/67/41/67/868674167.db2.gz SLQJPIYMNZQOKJ-UHFFFAOYSA-N -1 3 396.447 3.766 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3N(C)C(C)C)nc2)n1 ZINC000445614079 868748696 /nfs/dbraw/zinc/74/86/96/868748696.db2.gz ZCRRSIBEBSEFNZ-UHFFFAOYSA-N -1 3 377.492 3.685 20 0 GHADHM Cc1sc2ncn([N-]C(=O)[C@H](C)C(F)(F)F)c(=O)c2c1-c1ccccc1 ZINC000744353364 868776082 /nfs/dbraw/zinc/77/60/82/868776082.db2.gz WYYXLQRIMHESAC-VIFPVBQESA-N -1 3 381.379 3.702 20 0 GHADHM O=C(N[C@@H](c1cccnc1)C1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000535454321 868776577 /nfs/dbraw/zinc/77/65/77/868776577.db2.gz CFVGEMOYRCPZNT-GOSISDBHSA-N -1 3 398.260 3.567 20 0 GHADHM Cc1cscc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000445631360 868783567 /nfs/dbraw/zinc/78/35/67/868783567.db2.gz CZZFDKJTQUOUET-UHFFFAOYSA-N -1 3 395.481 3.989 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1scnc1C1CCCC1 ZINC000648432138 882227314 /nfs/dbraw/zinc/22/73/14/882227314.db2.gz RGKXAEMDZJNXPG-UHFFFAOYSA-N -1 3 378.807 3.887 20 0 GHADHM COC(=O)c1ccc2c(c1)CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC000609316662 882234172 /nfs/dbraw/zinc/23/41/72/882234172.db2.gz VOFDRHQIMBGCRU-UHFFFAOYSA-N -1 3 387.435 3.926 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000621175235 868871241 /nfs/dbraw/zinc/87/12/41/868871241.db2.gz LBVPRPWAPNEKHG-SFHVURJKSA-N -1 3 379.435 3.843 20 0 GHADHM O=C([N-]Cc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)Cc1ccccc1 ZINC000793520549 882239320 /nfs/dbraw/zinc/23/93/20/882239320.db2.gz ZURVGWPZNQUIFG-UHFFFAOYSA-N -1 3 377.778 3.884 20 0 GHADHM O=C(Nc1ncccc1C(=O)c1ccc(F)cc1)c1cnc2ccccc2c1[O-] ZINC001271818660 869023785 /nfs/dbraw/zinc/02/37/85/869023785.db2.gz CBXFIGUEIBAVHZ-UHFFFAOYSA-N -1 3 387.370 3.546 20 0 GHADHM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1F ZINC000744725876 869029929 /nfs/dbraw/zinc/02/99/29/869029929.db2.gz PYYCRFAMJKLJOT-PXAZEXFGSA-N -1 3 375.371 3.579 20 0 GHADHM CCc1cnc(COC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000744736212 869057489 /nfs/dbraw/zinc/05/74/89/869057489.db2.gz GSWZOZUKBJAAHF-LJQANCHMSA-N -1 3 394.427 3.547 20 0 GHADHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000524494761 869153235 /nfs/dbraw/zinc/15/32/35/869153235.db2.gz PSIOYFJIIKTNGZ-ZDUSSCGKSA-N -1 3 392.974 3.545 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000445947470 869192339 /nfs/dbraw/zinc/19/23/39/869192339.db2.gz VARZJIXCPVXWQA-CYBMUJFWSA-N -1 3 399.756 3.691 20 0 GHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462335982 869271643 /nfs/dbraw/zinc/27/16/43/869271643.db2.gz ZFLUEPMOWYHTLD-JDNHERCYSA-N -1 3 393.814 3.812 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000462393394 869345319 /nfs/dbraw/zinc/34/53/19/869345319.db2.gz BNFFCJILOHDXBU-UHFFFAOYSA-N -1 3 388.411 3.710 20 0 GHADHM CC(C)(COc1ncc(Cl)cc1Cl)[N-]C(=O)C(F)(F)C1(O)CCCC1 ZINC000857474619 882288769 /nfs/dbraw/zinc/28/87/69/882288769.db2.gz KNUFQWIHNODATM-UHFFFAOYSA-N -1 3 397.249 3.602 20 0 GHADHM CCc1nn(C)c(OC)c1C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857479024 882290586 /nfs/dbraw/zinc/29/05/86/882290586.db2.gz DHMTUNKGEBLQAB-UHFFFAOYSA-N -1 3 392.233 3.706 20 0 GHADHM CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(Cl)cc1 ZINC000462406722 869376477 /nfs/dbraw/zinc/37/64/77/869376477.db2.gz JBPLJCMTMZJKHZ-CQSZACIVSA-N -1 3 378.252 3.799 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(Cl)cc1 ZINC000462416540 869398969 /nfs/dbraw/zinc/39/89/69/869398969.db2.gz STJDJRHTJWLCSW-AWEZNQCLSA-N -1 3 378.252 3.799 20 0 GHADHM O=C(COC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[N-]C(=O)c1cccs1 ZINC000745351903 869492757 /nfs/dbraw/zinc/49/27/57/869492757.db2.gz UHZXMDPCUUVUBL-CHWSQXEVSA-N -1 3 398.267 3.658 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc(-c4ccncc4)s3)cc2)n1 ZINC000172803496 882309793 /nfs/dbraw/zinc/30/97/93/882309793.db2.gz QZZFTHFXRFBBEH-UHFFFAOYSA-N -1 3 389.440 3.516 20 0 GHADHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000524812610 869610646 /nfs/dbraw/zinc/61/06/46/869610646.db2.gz BIZPDJMJGGOJNW-UHFFFAOYSA-N -1 3 399.541 3.897 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)s1 ZINC000462541777 869634707 /nfs/dbraw/zinc/63/47/07/869634707.db2.gz HPIVGRPKDLZWAU-GXFFZTMASA-N -1 3 396.372 3.693 20 0 GHADHM CC[C@H](C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000446282069 869635924 /nfs/dbraw/zinc/63/59/24/869635924.db2.gz FEOZLRVKBHCGRJ-UFBFGSQYSA-N -1 3 383.208 3.931 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3scc(C)c3Br)nc21 ZINC000190982861 882329260 /nfs/dbraw/zinc/32/92/60/882329260.db2.gz AMCBODHXHKKUMI-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCc2cc(F)ccc2Br)cc1[O-] ZINC000745650547 869720075 /nfs/dbraw/zinc/72/00/75/869720075.db2.gz HEJNVTYAKWNFJH-UHFFFAOYSA-N -1 3 398.184 3.829 20 0 GHADHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000462605891 869755549 /nfs/dbraw/zinc/75/55/49/869755549.db2.gz WENCGWRWOJRGIS-NSHDSACASA-N -1 3 390.288 3.748 20 0 GHADHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000462618410 869766682 /nfs/dbraw/zinc/76/66/82/869766682.db2.gz RLWMCSUUVUKQNV-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)[n-]n1 ZINC000539780828 869780877 /nfs/dbraw/zinc/78/08/77/869780877.db2.gz DDBAILQKYVROKB-UHFFFAOYSA-N -1 3 399.432 3.544 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)n[n-]1 ZINC000539780828 869780884 /nfs/dbraw/zinc/78/08/84/869780884.db2.gz DDBAILQKYVROKB-UHFFFAOYSA-N -1 3 399.432 3.544 20 0 GHADHM O=S(=O)([N-][C@@H]1COc2c1ccc(Cl)c2Cl)c1cc(F)c(F)c(F)c1 ZINC000462623300 869783195 /nfs/dbraw/zinc/78/31/95/869783195.db2.gz VHZZSKZEAOZDLI-LLVKDONJSA-N -1 3 398.189 3.823 20 0 GHADHM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524969619 869853340 /nfs/dbraw/zinc/85/33/40/869853340.db2.gz ICINGSSMWBHLET-SBUREZEXSA-N -1 3 390.483 3.565 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Oc1ccccc1F ZINC000462699940 869914965 /nfs/dbraw/zinc/91/49/65/869914965.db2.gz MGVGYMSZTNOQSC-SNVBAGLBSA-N -1 3 378.252 3.878 20 0 GHADHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000462718921 869966980 /nfs/dbraw/zinc/96/69/80/869966980.db2.gz DBJOTAVORLQSTE-LLVKDONJSA-N -1 3 390.288 3.748 20 0 GHADHM COc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c([O-])c1 ZINC000114799101 870187244 /nfs/dbraw/zinc/18/72/44/870187244.db2.gz RPTUAHIBUHVZJC-UHFFFAOYSA-N -1 3 393.361 3.553 20 0 GHADHM CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000188117463 870268383 /nfs/dbraw/zinc/26/83/83/870268383.db2.gz YJFDLFXBYCUWKP-OAQYLSRUSA-N -1 3 392.499 3.705 20 0 GHADHM Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2[O-])c(=O)n(-c2ccccc2)n1C ZINC001192336162 870298442 /nfs/dbraw/zinc/29/84/42/870298442.db2.gz SCLQQMMBIXXUKV-UHFFFAOYSA-N -1 3 379.460 3.740 20 0 GHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc2nsnc2cc1Cl ZINC001192359432 870319034 /nfs/dbraw/zinc/31/90/34/870319034.db2.gz BYMWHHQQDIPGRV-UHFFFAOYSA-N -1 3 375.262 3.502 20 0 GHADHM C[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C ZINC000248409847 870390921 /nfs/dbraw/zinc/39/09/21/870390921.db2.gz GJCUVRNYIFYKPB-CBGDNZLLSA-N -1 3 380.488 3.758 20 0 GHADHM Cc1cc([N-]C(=O)c2nc(C(F)(F)F)cs2)n(C(=O)OC(C)(C)C)n1 ZINC001192448343 870409733 /nfs/dbraw/zinc/40/97/33/870409733.db2.gz ZRTXYVBWYHSIKP-UHFFFAOYSA-N -1 3 376.360 3.702 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000461615675 870595158 /nfs/dbraw/zinc/59/51/58/870595158.db2.gz FGAOGCWDYJLZRP-AWEZNQCLSA-N -1 3 381.476 3.523 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc(C4CCCCC4)cc3)cc2n(C)c1=O ZINC000461616345 870596525 /nfs/dbraw/zinc/59/65/25/870596525.db2.gz HKJQSPDSIYIVJK-UHFFFAOYSA-N -1 3 379.460 3.883 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c([O-])cc21 ZINC000461634917 870630042 /nfs/dbraw/zinc/63/00/42/870630042.db2.gz YZVCPSOJISGCSY-UHFFFAOYSA-N -1 3 399.756 3.507 20 0 GHADHM O=C(Nc1cccc2cc(Br)cnc21)c1nnc2ccccc2c1[O-] ZINC000804268734 870670316 /nfs/dbraw/zinc/67/03/16/870670316.db2.gz JTIPVFRPKYEGRP-UHFFFAOYSA-N -1 3 395.216 3.898 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)nc21 ZINC000538847430 870728548 /nfs/dbraw/zinc/72/85/48/870728548.db2.gz KRNNRUFJPKFHRZ-UHFFFAOYSA-N -1 3 395.415 3.557 20 0 GHADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(OC(C)C)cc1)c1ccco1 ZINC000540207204 870765044 /nfs/dbraw/zinc/76/50/44/870765044.db2.gz CQSQMKUQAKDIDQ-GOSISDBHSA-N -1 3 381.494 3.759 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccc(F)cc1)c1cnccc1Cl ZINC001192930149 870795236 /nfs/dbraw/zinc/79/52/36/870795236.db2.gz RANODUHCMIIMLI-KRWDZBQOSA-N -1 3 398.887 3.710 20 0 GHADHM Cc1ccc(Oc2ccccc2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001193080367 870868610 /nfs/dbraw/zinc/86/86/10/870868610.db2.gz VJEXNWKGBBMOAX-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM Cc1ccc(Oc2ccccc2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001193080367 870868615 /nfs/dbraw/zinc/86/86/15/870868615.db2.gz VJEXNWKGBBMOAX-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)c(SC)c2)c([O-])c1 ZINC000538925926 870938391 /nfs/dbraw/zinc/93/83/91/870938391.db2.gz CGJMDPQFYQHMQK-UHFFFAOYSA-N -1 3 388.445 3.502 20 0 GHADHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC001193361832 871050746 /nfs/dbraw/zinc/05/07/46/871050746.db2.gz YJZIXGLILTXHQK-LBPRGKRZSA-N -1 3 394.320 3.641 20 0 GHADHM O=S(=O)([N-][C@@H](CCc1ccccc1)c1ccccn1)c1cccnc1Cl ZINC001193627897 871196230 /nfs/dbraw/zinc/19/62/30/871196230.db2.gz FEDINWSGZMJTJG-KRWDZBQOSA-N -1 3 387.892 3.782 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccn2)Cc2ccccc2C)c1 ZINC000122253614 882489560 /nfs/dbraw/zinc/48/95/60/882489560.db2.gz XSZORUZJDOUFAA-UHFFFAOYSA-N -1 3 389.455 3.897 20 0 GHADHM O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccc([O-])cc1C(F)(F)F ZINC001193736152 871256868 /nfs/dbraw/zinc/25/68/68/871256868.db2.gz WHMHDSBSTTVFPH-UHFFFAOYSA-N -1 3 389.293 3.590 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)c(-c2ccccc2)s1 ZINC001193830901 871332341 /nfs/dbraw/zinc/33/23/41/871332341.db2.gz SAHHEOBCBPQQST-IRXDYDNUSA-N -1 3 392.546 3.602 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC001193929579 871375924 /nfs/dbraw/zinc/37/59/24/871375924.db2.gz JFONOYWRLIKVMG-BMFZPTHFSA-N -1 3 375.465 3.521 20 0 GHADHM Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)c1c(C)cc(O)cc1[O-] ZINC001193910460 871389909 /nfs/dbraw/zinc/38/99/09/871389909.db2.gz DFDSGTCAWZFUFQ-KRWDZBQOSA-N -1 3 382.460 3.656 20 0 GHADHM CC(C)(O)CN(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000540522422 871484830 /nfs/dbraw/zinc/48/48/30/871484830.db2.gz WNCMZGILONJNTQ-UHFFFAOYSA-N -1 3 377.444 3.855 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2sccc2Br)cc1F ZINC001194147143 871510900 /nfs/dbraw/zinc/51/09/00/871510900.db2.gz HTCZRDVLBKEWGU-UHFFFAOYSA-N -1 3 396.278 3.618 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C(C)C)c4ccccc43)nc(=O)c2c1C ZINC000447399667 871534150 /nfs/dbraw/zinc/53/41/50/871534150.db2.gz WZAVNNHBELAFNY-CQSZACIVSA-N -1 3 397.500 3.839 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001169542734 871621293 /nfs/dbraw/zinc/62/12/93/871621293.db2.gz ZRXFQKFINPQNKW-HNAYVOBHSA-N -1 3 393.462 3.720 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(Cl)s1 ZINC000462133660 871697823 /nfs/dbraw/zinc/69/78/23/871697823.db2.gz ZOERHSKNMBKBHD-VIFPVBQESA-N -1 3 379.912 3.679 20 0 GHADHM CC(C)c1ccc(CN2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)cc1 ZINC001194563372 871762995 /nfs/dbraw/zinc/76/29/95/871762995.db2.gz XXBOIDRFKVEDQJ-UHFFFAOYSA-N -1 3 392.503 3.883 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccnc1OCc1ccccc1 ZINC001194610134 871795955 /nfs/dbraw/zinc/79/59/55/871795955.db2.gz BSALHRIZADTYRR-UHFFFAOYSA-N -1 3 396.374 3.544 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000182078553 871811352 /nfs/dbraw/zinc/81/13/52/871811352.db2.gz FOOWGBIFIWDGQF-AWEZNQCLSA-N -1 3 387.505 3.989 20 0 GHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000540640884 871821182 /nfs/dbraw/zinc/82/11/82/871821182.db2.gz QAHJCVMTSJFYDH-UHFFFAOYSA-N -1 3 389.795 3.974 20 0 GHADHM O=C(Oc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001194651309 871853190 /nfs/dbraw/zinc/85/31/90/871853190.db2.gz IFPPQGSKIBUADO-UHFFFAOYSA-N -1 3 376.412 3.502 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@@H]4CCCC[C@@H]43)nc(=O)c2c1C ZINC000253559031 871883390 /nfs/dbraw/zinc/88/33/90/871883390.db2.gz PREVGRCUCYBONS-DRZSPHRISA-N -1 3 375.494 3.502 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(Cl)c1 ZINC000552036898 871911450 /nfs/dbraw/zinc/91/14/50/871911450.db2.gz UWAAQMIBAIOQHW-UHFFFAOYSA-N -1 3 389.807 3.655 20 0 GHADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1scnc1Br ZINC000775610419 871973724 /nfs/dbraw/zinc/97/37/24/871973724.db2.gz FYMOWOIHKQGHRB-UHFFFAOYSA-N -1 3 375.269 3.623 20 0 GHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1[O-] ZINC000552069648 871974493 /nfs/dbraw/zinc/97/44/93/871974493.db2.gz AVMPANSOZUCSQR-VIFPVBQESA-N -1 3 383.370 3.713 20 0 GHADHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C1CC1 ZINC000618861696 872060265 /nfs/dbraw/zinc/06/02/65/872060265.db2.gz NLGRGEWAEVNWAP-SFHVURJKSA-N -1 3 390.480 3.853 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4c(c3)CCCCC4=O)cc2)n1 ZINC000463579396 872064975 /nfs/dbraw/zinc/06/49/75/872064975.db2.gz YCSHPIGVQASIRX-UHFFFAOYSA-N -1 3 387.439 3.907 20 0 GHADHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)C1(F)F ZINC001213211417 882575856 /nfs/dbraw/zinc/57/58/56/882575856.db2.gz MKYIQTJMRRTXOP-JTQLQIEISA-N -1 3 388.661 3.672 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC3(C)CCCCC3)c2)[n-]1 ZINC000447684206 872161574 /nfs/dbraw/zinc/16/15/74/872161574.db2.gz YEOAMDUNKYBWQA-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC3(C)CCCCC3)c2)n[n-]1 ZINC000447684206 872161587 /nfs/dbraw/zinc/16/15/87/872161587.db2.gz YEOAMDUNKYBWQA-UHFFFAOYSA-N -1 3 384.480 3.625 20 0 GHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001195134938 872192452 /nfs/dbraw/zinc/19/24/52/872192452.db2.gz VZBVXMJKBVIJTA-GFCCVEGCSA-N -1 3 384.785 3.920 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC001195156748 872223297 /nfs/dbraw/zinc/22/32/97/872223297.db2.gz PENFBUQNANTFJI-UHFFFAOYSA-N -1 3 376.522 3.738 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C(C)=O)cc2F)[nH][n-]1 ZINC000540821321 872250001 /nfs/dbraw/zinc/25/00/01/872250001.db2.gz UQIKXAVIPZUERT-UHFFFAOYSA-N -1 3 387.798 3.755 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(c2ccccc2)CCCO1 ZINC001195197103 872249912 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UBYZGIMBYCIWFV-CQSZACIVSA-N -1 3 386.496 3.727 20 0 GHADHM COc1ccc(CCC(=O)Nc2cccc(C(C)=O)c2[O-])cc1Br ZINC000552286673 872352004 /nfs/dbraw/zinc/35/20/04/872352004.db2.gz VKDPIFDBKMOUPW-UHFFFAOYSA-N -1 3 392.249 3.937 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)c1[O-] ZINC000552288447 872356360 /nfs/dbraw/zinc/35/63/60/872356360.db2.gz WXBLWUKEMJAGTE-UHFFFAOYSA-N -1 3 391.305 3.916 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000552287460 872356462 /nfs/dbraw/zinc/35/64/62/872356462.db2.gz SLHALVMQOKSQIP-VHSXEESVSA-N -1 3 375.053 3.643 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1ccccc1OCc1ccc(F)cc1 ZINC000552274160 872367209 /nfs/dbraw/zinc/36/72/09/872367209.db2.gz CUWBNPVZFNATIR-UHFFFAOYSA-N -1 3 390.212 3.565 20 0 GHADHM C[C@H]1CCCN(CCOc2ccc(Cl)cc2Br)[C@H]1C(=O)[O-] ZINC000300295086 872372979 /nfs/dbraw/zinc/37/29/79/872372979.db2.gz MNVPBRKMAYXXJR-IINYFYTJSA-N -1 3 376.678 3.666 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1 ZINC000122567067 882617423 /nfs/dbraw/zinc/61/74/23/882617423.db2.gz CCICEZRMSFANIC-OAQYLSRUSA-N -1 3 389.455 3.768 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CCSC2(CCC2)C1 ZINC001195628966 872519241 /nfs/dbraw/zinc/51/92/41/872519241.db2.gz WSBKIJKVXKGGAF-JTQLQIEISA-N -1 3 396.397 3.916 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(OCC(F)(F)F)nc1 ZINC000527045490 872528453 /nfs/dbraw/zinc/52/84/53/872528453.db2.gz WHDSVIXQBXBZPG-UHFFFAOYSA-N -1 3 386.345 3.507 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2)s1 ZINC001195652249 872560474 /nfs/dbraw/zinc/56/04/74/872560474.db2.gz NDFLJQFITWXYRY-SECBINFHSA-N -1 3 378.288 3.998 20 0 GHADHM O=S(=O)(N[C@@H]1CCCc2ccc(Br)cc21)c1ccc([O-])cc1 ZINC001195758162 872614134 /nfs/dbraw/zinc/61/41/34/872614134.db2.gz OIESHHJPPXEOIZ-MRXNPFEDSA-N -1 3 382.279 3.511 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)[n-]1 ZINC000619446565 872635071 /nfs/dbraw/zinc/63/50/71/872635071.db2.gz OIKVOHOQEGBBAA-IBGZPJMESA-N -1 3 393.443 3.908 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)c[n-]1 ZINC000619446565 872635077 /nfs/dbraw/zinc/63/50/77/872635077.db2.gz OIKVOHOQEGBBAA-IBGZPJMESA-N -1 3 393.443 3.908 20 0 GHADHM CSc1ccc(N2C[C@@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)cc1 ZINC000552435333 872642329 /nfs/dbraw/zinc/64/23/29/872642329.db2.gz ARWLWYYXWHLPPP-NSHDSACASA-N -1 3 376.865 3.759 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)[n-]1 ZINC000619448586 872649407 /nfs/dbraw/zinc/64/94/07/872649407.db2.gz XFEZONNHJFYTSU-UHFFFAOYSA-N -1 3 391.427 3.687 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)c[n-]1 ZINC000619448586 872649411 /nfs/dbraw/zinc/64/94/11/872649411.db2.gz XFEZONNHJFYTSU-UHFFFAOYSA-N -1 3 391.427 3.687 20 0 GHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)c1 ZINC000619464025 872659829 /nfs/dbraw/zinc/65/98/29/872659829.db2.gz CRBQWKSMDPUKKG-UHFFFAOYSA-N -1 3 395.864 3.829 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447998137 872668491 /nfs/dbraw/zinc/66/84/91/872668491.db2.gz GIFOXGYTXUSELU-CJNGLKHVSA-N -1 3 399.545 3.646 20 0 GHADHM O=S(=O)(Nc1c(F)c(Cl)c(F)cc1Br)c1ccc([O-])cc1 ZINC001195795631 872668809 /nfs/dbraw/zinc/66/88/09/872668809.db2.gz FGKFBAPXQJHHTF-UHFFFAOYSA-N -1 3 398.612 3.887 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c4c(nn3C)CCCC4)nc(=O)c2c1C ZINC000767588999 872671912 /nfs/dbraw/zinc/67/19/12/872671912.db2.gz FXKLBUCNFKZNEA-JTQLQIEISA-N -1 3 386.477 3.544 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1F ZINC001195805813 872677051 /nfs/dbraw/zinc/67/70/51/872677051.db2.gz GZBGHOVPVBDBRN-UHFFFAOYSA-N -1 3 382.413 3.679 20 0 GHADHM O=c1[n-]c(-c2cnc(OCC(F)(F)F)cn2)nc2sc3c(c21)CCCC3 ZINC000478241803 872722614 /nfs/dbraw/zinc/72/26/14/872722614.db2.gz RFYBKMFYCLTJJR-UHFFFAOYSA-N -1 3 382.367 3.674 20 0 GHADHM CCOC(=O)C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(OC)c1 ZINC000527160714 872746548 /nfs/dbraw/zinc/74/65/48/872746548.db2.gz PYRSZLUDSNVHAL-FQEVSTJZSA-N -1 3 393.439 3.978 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(-c4nc[nH]n4)c3)nc(=O)c2c1C ZINC000767812257 872869171 /nfs/dbraw/zinc/86/91/71/872869171.db2.gz RJOCZBNZNZHXLW-SNVBAGLBSA-N -1 3 395.444 3.717 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CCC(C)(c2ccccc2)CC1 ZINC000767854007 872892395 /nfs/dbraw/zinc/89/23/95/872892395.db2.gz ICYSLLFTCUDUDN-UHFFFAOYSA-N -1 3 381.929 3.561 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](C)c3ccsc3)nc(=O)c2c1C ZINC000619782832 872996902 /nfs/dbraw/zinc/99/69/02/872996902.db2.gz LOONGFXVKPZTAK-QWRGUYRKSA-N -1 3 391.518 3.943 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])cc(I)c1 ZINC001196398329 873075216 /nfs/dbraw/zinc/07/52/16/873075216.db2.gz CMYMAHXXQUZADK-LLVKDONJSA-N -1 3 393.224 3.756 20 0 GHADHM C[C@@H](CNC(=O)c1cccc2n[n-]nc21)Sc1ccc(Br)cc1 ZINC000527357098 873075181 /nfs/dbraw/zinc/07/51/81/873075181.db2.gz JRHYJZXANUKXQD-JTQLQIEISA-N -1 3 391.294 3.631 20 0 GHADHM O=C(Nc1scnc1C1CC1)c1cc([O-])cc(I)c1 ZINC001196403232 873077937 /nfs/dbraw/zinc/07/79/37/873077937.db2.gz WYYQSRIAKAQBRT-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(-c4cnn(C)c4)ccc3F)[nH][n-]2)c1 ZINC000541170898 873083853 /nfs/dbraw/zinc/08/38/53/873083853.db2.gz WNPVKIPTHORQHF-UHFFFAOYSA-N -1 3 389.434 3.907 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)ncc2F)cc1 ZINC001196467403 873115880 /nfs/dbraw/zinc/11/58/80/873115880.db2.gz WTGXEFDAEKEOQZ-UHFFFAOYSA-N -1 3 385.392 3.508 20 0 GHADHM COc1cc(C)c(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1OC ZINC000768202927 873139636 /nfs/dbraw/zinc/13/96/36/873139636.db2.gz DAVRBLGDRGPFBT-UHFFFAOYSA-N -1 3 390.911 3.689 20 0 GHADHM CCC(CC)CCCN(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC001196505575 873148344 /nfs/dbraw/zinc/14/83/44/873148344.db2.gz BUSQUVBOQDZOQN-UHFFFAOYSA-N -1 3 379.526 3.728 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)c(Cl)n1 ZINC001196521547 873160616 /nfs/dbraw/zinc/16/06/16/873160616.db2.gz ZJAHYQUVBYCVII-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000527482983 873183113 /nfs/dbraw/zinc/18/31/13/873183113.db2.gz UZBGSFQOPQOKAF-ILZDJORESA-N -1 3 396.462 3.588 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)C2CCC(F)CC2)c1 ZINC000619957744 873206441 /nfs/dbraw/zinc/20/64/41/873206441.db2.gz YNZMMXKPOWJMNL-XGNXJENSSA-N -1 3 389.427 3.588 20 0 GHADHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC(F)CC1 ZINC000619960329 873210836 /nfs/dbraw/zinc/21/08/36/873210836.db2.gz RWZQWIZSSTUOHA-ZBOXLXRLSA-N -1 3 395.272 3.937 20 0 GHADHM CCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000768538515 873370887 /nfs/dbraw/zinc/37/08/87/873370887.db2.gz WDOACLXAMVRQLV-UHFFFAOYSA-N -1 3 394.468 3.554 20 0 GHADHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464214649 873414592 /nfs/dbraw/zinc/41/45/92/873414592.db2.gz ZKCRSKYYRLTQHQ-UHFFFAOYSA-N -1 3 377.865 3.960 20 0 GHADHM CC(C)(C)C(=O)OCc1nc(C(=O)[N-]c2cc(Cl)nnc2Cl)cs1 ZINC001196998478 873519591 /nfs/dbraw/zinc/51/95/91/873519591.db2.gz OZBDQKGIMZLBGQ-UHFFFAOYSA-N -1 3 389.264 3.582 20 0 GHADHM O=C([N-]c1ncnn1-c1ccccc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000464265382 873520589 /nfs/dbraw/zinc/52/05/89/873520589.db2.gz XOXNEBIQWMRZBH-UHFFFAOYSA-N -1 3 399.332 3.615 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1F ZINC000102741039 873524235 /nfs/dbraw/zinc/52/42/35/873524235.db2.gz ZSPUFJSOJIJFHP-UHFFFAOYSA-N -1 3 388.823 3.557 20 0 GHADHM O=C([N-]CC[C@@H]1CN(C[C@@H](O)c2cccc(F)c2)c2ccccc21)C(F)(F)F ZINC001197060172 873568794 /nfs/dbraw/zinc/56/87/94/873568794.db2.gz QBNPEVGPKLAZQZ-RDTXWAMCSA-N -1 3 396.384 3.532 20 0 GHADHM CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000768889572 873650067 /nfs/dbraw/zinc/65/00/67/873650067.db2.gz JPZQOLBVRWCQLM-LJQANCHMSA-N -1 3 380.362 3.876 20 0 GHADHM COc1cccc(CS(=O)(=O)[N-]c2ccn3cc(-c4ccccc4)nc3c2)c1 ZINC001197354724 873731523 /nfs/dbraw/zinc/73/15/23/873731523.db2.gz BSIDKIJCSCCFHM-UHFFFAOYSA-N -1 3 393.468 3.952 20 0 GHADHM O=S(=O)(Cc1cccnc1)[N-]c1cc(Cl)cc(Br)c1F ZINC001197463971 873819923 /nfs/dbraw/zinc/81/99/23/873819923.db2.gz DGONUUZVQRSTGY-UHFFFAOYSA-N -1 3 379.638 3.579 20 0 GHADHM O=C(C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC001197537098 873865195 /nfs/dbraw/zinc/86/51/95/873865195.db2.gz CQQYTVATRLATHA-UHFFFAOYSA-N -1 3 392.691 3.949 20 0 GHADHM Cc1ncc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c(=O)[n-]1 ZINC000541569624 873882549 /nfs/dbraw/zinc/88/25/49/873882549.db2.gz IQXYSVFNAFFDRB-HXUWFJFHSA-N -1 3 397.862 3.794 20 0 GHADHM CCSCC[C@@H](C)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541573074 873886249 /nfs/dbraw/zinc/88/62/49/873886249.db2.gz ZUUQMEMBJKCRPY-LLVKDONJSA-N -1 3 397.338 3.894 20 0 GHADHM [O-]c1ccc(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1Cl ZINC000769335304 873977566 /nfs/dbraw/zinc/97/75/66/873977566.db2.gz VWECMCOJQGWOIV-UHFFFAOYSA-N -1 3 380.879 3.825 20 0 GHADHM CCN1Cc2cc([N-]S(=O)(=O)Cc3cccc(Cl)c3Cl)ccc2C1=O ZINC001197748709 874025365 /nfs/dbraw/zinc/02/53/65/874025365.db2.gz AHLHEQSXILGWOE-UHFFFAOYSA-N -1 3 399.299 3.911 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)Cc2ccccn2)c(NC(=O)OC(C)(C)C)c1C ZINC001197834595 874064268 /nfs/dbraw/zinc/06/42/68/874064268.db2.gz HFGRVKYLCBRQQN-UHFFFAOYSA-N -1 3 391.493 3.987 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000769554836 874155851 /nfs/dbraw/zinc/15/58/51/874155851.db2.gz ZBGZTWNCWINLKQ-MRXNPFEDSA-N -1 3 383.206 3.648 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)cc1Cl)c1cccc(Cl)n1 ZINC001198263332 874294781 /nfs/dbraw/zinc/29/47/81/874294781.db2.gz KAUBGNQAIOTYNE-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1N1CCCCCC1)c1cccc(Cl)n1 ZINC001198245805 874308697 /nfs/dbraw/zinc/30/86/97/874308697.db2.gz MFZBLARDGMFRFD-UHFFFAOYSA-N -1 3 379.913 3.594 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cncn2Cc2cccc(C(F)(F)F)c2)n1 ZINC001198326537 874354707 /nfs/dbraw/zinc/35/47/07/874354707.db2.gz NSWXLWYDMTUXSK-UHFFFAOYSA-N -1 3 376.338 3.612 20 0 GHADHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1Cl ZINC000160659422 874358985 /nfs/dbraw/zinc/35/89/85/874358985.db2.gz FXLOCHSIVIBGBG-UHFFFAOYSA-N -1 3 386.304 3.977 20 0 GHADHM CCOC(=O)NCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770079393 874442143 /nfs/dbraw/zinc/44/21/43/874442143.db2.gz IWKCJYKRMGMZMW-UHFFFAOYSA-N -1 3 385.445 3.744 20 0 GHADHM C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H](C)S1 ZINC000541877504 874451228 /nfs/dbraw/zinc/45/12/28/874451228.db2.gz DLVNIAISACKXSA-QINHECLXSA-N -1 3 398.528 3.606 20 0 GHADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1sc2ccccc2c1Cl ZINC000770107713 874463230 /nfs/dbraw/zinc/46/32/30/874463230.db2.gz MVZSJNSVTAMTLO-CQSZACIVSA-N -1 3 389.926 3.562 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)c1cccc(C)c1C ZINC000770293806 874581591 /nfs/dbraw/zinc/58/15/91/874581591.db2.gz UANKXKICZPGNNG-SYGIOELKSA-N -1 3 391.464 3.637 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CC1CC1)c1ccccc1F ZINC001198729428 874585184 /nfs/dbraw/zinc/58/51/84/874585184.db2.gz YTEKWDWKONQULF-CQSZACIVSA-N -1 3 384.860 3.702 20 0 GHADHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C1c2ccccc2-c2ccccc21 ZINC001198709997 874599629 /nfs/dbraw/zinc/59/96/29/874599629.db2.gz DUDMLNAUHPMNSN-UHFFFAOYSA-N -1 3 386.860 3.792 20 0 GHADHM CCOC(=O)c1ccc(NC(=S)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001199015294 874747129 /nfs/dbraw/zinc/74/71/29/874747129.db2.gz QEERNXYWZYONCL-UHFFFAOYSA-N -1 3 382.445 3.564 20 0 GHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000528658347 874844597 /nfs/dbraw/zinc/84/45/97/874844597.db2.gz OWFZLLJZMUDQLF-PIGZYNQJSA-N -1 3 394.240 3.896 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(Br)o2)c([O-])c1 ZINC000770864617 874895243 /nfs/dbraw/zinc/89/52/43/874895243.db2.gz ATPUPCMHUQZMPU-YVMONPNESA-N -1 3 380.194 3.576 20 0 GHADHM Cc1cnc([C@@H](C)OC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)o1 ZINC000770949058 874960897 /nfs/dbraw/zinc/96/08/97/874960897.db2.gz COIVNJLKEUNZBU-DNVCBOLYSA-N -1 3 394.427 3.854 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3cnc(C(C)(C)C)s3)nc21 ZINC000746505986 874964364 /nfs/dbraw/zinc/96/43/64/874964364.db2.gz GQQPRPHIXFPECF-CMDGGOBGSA-N -1 3 384.461 3.755 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H](C(C)(C)c2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000771369041 875217305 /nfs/dbraw/zinc/21/73/05/875217305.db2.gz VYQAMIZXPLQNGT-QGZVFWFLSA-N -1 3 382.382 3.793 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F ZINC000475735039 882924651 /nfs/dbraw/zinc/92/46/51/882924651.db2.gz AYHQUOUXVKXXSY-AEFFLSMTSA-N -1 3 385.407 3.611 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)c(=O)[n-]1 ZINC000465272793 875391918 /nfs/dbraw/zinc/39/19/18/875391918.db2.gz NZZVHAYZVAKIAE-GOSISDBHSA-N -1 3 385.508 3.568 20 0 GHADHM COc1cc2nc(-c3ccc(F)c(Br)c3)[n-]c(=O)c2cc1OC ZINC000134528890 882926301 /nfs/dbraw/zinc/92/63/01/882926301.db2.gz CIMBHRHZGOUEES-UHFFFAOYSA-N -1 3 379.185 3.509 20 0 GHADHM Cc1nc2cc(C[N-]S(=O)(=O)c3c(F)cccc3Br)ccc2o1 ZINC001201018421 875440562 /nfs/dbraw/zinc/44/05/62/875440562.db2.gz GAGFRCYPFBIWEQ-UHFFFAOYSA-N -1 3 399.241 3.516 20 0 GHADHM Cc1ncc(CNC(=O)Nc2cccc(COc3ccccc3)c2C)c(=O)[n-]1 ZINC000542402551 875528641 /nfs/dbraw/zinc/52/86/41/875528641.db2.gz LXJNGNWYZSZYIS-UHFFFAOYSA-N -1 3 378.432 3.700 20 0 GHADHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201243846 875574652 /nfs/dbraw/zinc/57/46/52/875574652.db2.gz AOSABDWPKZUHOP-UHFFFAOYSA-N -1 3 394.251 3.628 20 0 GHADHM O=C(CCCn1c(=O)oc2ccccc21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746523781 875636398 /nfs/dbraw/zinc/63/63/98/875636398.db2.gz XJPGZIZKZVSTAB-UHFFFAOYSA-N -1 3 394.349 3.642 20 0 GHADHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449932717 875666910 /nfs/dbraw/zinc/66/69/10/875666910.db2.gz WFIWUQYTECGTCS-GDBMZVCRSA-N -1 3 378.900 3.905 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000867391483 875685033 /nfs/dbraw/zinc/68/50/33/875685033.db2.gz KTAFAQGIYILRPU-SNVBAGLBSA-N -1 3 398.282 3.575 20 0 GHADHM Cc1cnccc1OC1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000529187320 875765547 /nfs/dbraw/zinc/76/55/47/875765547.db2.gz CEAGTAYXVSDQLK-UHFFFAOYSA-N -1 3 391.265 3.542 20 0 GHADHM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(Oc2ccncc2)cc1 ZINC001201616171 875791461 /nfs/dbraw/zinc/79/14/61/875791461.db2.gz FZYZYUSAPJDBLU-UHFFFAOYSA-N -1 3 392.440 3.860 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000450032715 875851673 /nfs/dbraw/zinc/85/16/73/875851673.db2.gz NEMBSCSTTPAJDN-KRWDZBQOSA-N -1 3 383.341 3.693 20 0 GHADHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201770885 875852219 /nfs/dbraw/zinc/85/22/19/875852219.db2.gz SOUHBEWMCJXFAK-GFCCVEGCSA-N -1 3 386.286 3.888 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000179403075 882970242 /nfs/dbraw/zinc/97/02/42/882970242.db2.gz HERDSNDVHAZFEG-LJQANCHMSA-N -1 3 391.427 3.918 20 0 GHADHM O=S(=O)([N-]Cc1cccc(Cl)c1F)c1cccc(F)c1Br ZINC001201788289 875883909 /nfs/dbraw/zinc/88/39/09/875883909.db2.gz HLAQEXVMZUKDBB-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]CC1(c2ccccc2)CC1)c1cccc(F)c1Br ZINC001201789328 875885321 /nfs/dbraw/zinc/88/53/21/875885321.db2.gz CPCSAGSVUKTMMZ-UHFFFAOYSA-N -1 3 384.270 3.598 20 0 GHADHM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2Cl)c1 ZINC001201855025 875889694 /nfs/dbraw/zinc/88/96/94/875889694.db2.gz ZYBOPYOUQQSMRB-UHFFFAOYSA-N -1 3 395.651 3.629 20 0 GHADHM O=S(=O)([N-]Cc1csc(Cl)c1)c1ncccc1OCc1ccccc1 ZINC001201902823 875902720 /nfs/dbraw/zinc/90/27/20/875902720.db2.gz VLSXMRPUDSKSSR-UHFFFAOYSA-N -1 3 394.905 3.854 20 0 GHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C ZINC000192714233 882994478 /nfs/dbraw/zinc/99/44/78/882994478.db2.gz ZKOFDKOZWUMXOQ-UHFFFAOYSA-N -1 3 376.478 3.707 20 0 GHADHM COc1cccc([C@H]2C[C@H](NC(=O)c3cc([O-])cc(Br)c3)C2)c1 ZINC000529463720 876190418 /nfs/dbraw/zinc/19/04/18/876190418.db2.gz UMYKWUBSOYMYJA-NNUKFRKNSA-N -1 3 376.250 3.839 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129611111 883020406 /nfs/dbraw/zinc/02/04/06/883020406.db2.gz VGHGNWVHBRKAIC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129611111 883020421 /nfs/dbraw/zinc/02/04/21/883020421.db2.gz VGHGNWVHBRKAIC-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000786142011 876472307 /nfs/dbraw/zinc/47/23/07/876472307.db2.gz RSMMGQDQSVHXDS-NSHDSACASA-N -1 3 376.455 3.928 20 0 GHADHM COC(=O)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000450471097 876483839 /nfs/dbraw/zinc/48/38/39/876483839.db2.gz VKKOCCOGEGKBED-HNNXBMFYSA-N -1 3 399.340 3.513 20 0 GHADHM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000007109500 876528700 /nfs/dbraw/zinc/52/87/00/876528700.db2.gz CATROMQCNJTXHE-UHFFFAOYSA-N -1 3 387.549 3.537 20 0 GHADHM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450517022 876554122 /nfs/dbraw/zinc/55/41/22/876554122.db2.gz DMZRFFKYWLKABW-LLVKDONJSA-N -1 3 378.241 3.810 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121112176 876554328 /nfs/dbraw/zinc/55/43/28/876554328.db2.gz HFEQYCSTROZQAU-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121112176 876554330 /nfs/dbraw/zinc/55/43/30/876554330.db2.gz HFEQYCSTROZQAU-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(C)cc1Br ZINC001129612565 883062459 /nfs/dbraw/zinc/06/24/59/883062459.db2.gz HZHRGOPNUDSLAK-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(C)cc1Br ZINC001129612565 883062476 /nfs/dbraw/zinc/06/24/76/883062476.db2.gz HZHRGOPNUDSLAK-UHFFFAOYSA-N -1 3 390.216 3.637 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c(OC2CCCC2)c1 ZINC001129613144 883062776 /nfs/dbraw/zinc/06/27/76/883062776.db2.gz OYSCYYRDRXRKOF-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(OC2CCCC2)c1 ZINC001129613144 883062790 /nfs/dbraw/zinc/06/27/90/883062790.db2.gz OYSCYYRDRXRKOF-UHFFFAOYSA-N -1 3 397.410 3.588 20 0 GHADHM COc1cccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1OC(C)C ZINC000850324862 876811519 /nfs/dbraw/zinc/81/15/19/876811519.db2.gz ZOOYHKXZPMPWJY-UHFFFAOYSA-N -1 3 384.388 3.595 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000746599486 876894767 /nfs/dbraw/zinc/89/47/67/876894767.db2.gz ZKELCKBCBPWAMP-NSHDSACASA-N -1 3 396.310 3.822 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000787118975 877160796 /nfs/dbraw/zinc/16/07/96/877160796.db2.gz BWLOJJYEXIURSJ-QGZVFWFLSA-N -1 3 385.357 3.723 20 0 GHADHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530144482 877162501 /nfs/dbraw/zinc/16/25/01/877162501.db2.gz IHOZASHXIBXDEN-UHFFFAOYSA-N -1 3 394.880 3.597 20 0 GHADHM Cc1ccc(Br)nc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000787153920 877201044 /nfs/dbraw/zinc/20/10/44/877201044.db2.gz RVYGUDYFRSMYHP-UHFFFAOYSA-N -1 3 386.043 3.873 20 0 GHADHM CCCSCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551437542 877189882 /nfs/dbraw/zinc/18/98/82/877189882.db2.gz PMHWQXZQZOGBOV-UHFFFAOYSA-N -1 3 380.271 3.927 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c([O-])c1 ZINC000787153123 877200736 /nfs/dbraw/zinc/20/07/36/877200736.db2.gz QFFHBTHJJWNSMA-RDJZCZTQSA-N -1 3 376.497 3.720 20 0 GHADHM COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[n-]c5ccccc5c4=O)CC3)c2c1 ZINC000121554097 877312068 /nfs/dbraw/zinc/31/20/68/877312068.db2.gz CEHFCXAINXTDSO-UHFFFAOYSA-N -1 3 399.450 3.948 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)C12CC(C(F)(F)F)(C1)C2 ZINC000787314160 877340030 /nfs/dbraw/zinc/34/00/30/877340030.db2.gz MJNHJINHUFCLCR-UHFFFAOYSA-N -1 3 382.151 3.869 20 0 GHADHM O=C(O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc2ccsc2[n-]1 ZINC000787597034 877515049 /nfs/dbraw/zinc/51/50/49/877515049.db2.gz JUULOUFRBQCOQM-INIZCTEOSA-N -1 3 390.411 3.856 20 0 GHADHM Cc1cc2oc(=O)cc(CN3CCC[C@H](c4n[n-]c(=O)o4)C3)c2cc1C(C)C ZINC000787670898 877544031 /nfs/dbraw/zinc/54/40/31/877544031.db2.gz NPOPKEQDTNQKGP-AWEZNQCLSA-N -1 3 383.448 3.693 20 0 GHADHM O=c1ccnc(C(=Cc2cc(Cl)c3c(c2)OCCO3)Cc2ccccc2)[n-]1 ZINC000477409266 877580525 /nfs/dbraw/zinc/58/05/25/877580525.db2.gz YIFWXDGXZOQCMS-LFIBNONCSA-N -1 3 380.831 3.978 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1 ZINC000787776775 877613105 /nfs/dbraw/zinc/61/31/05/877613105.db2.gz CIYJLEDXJYTHPN-UHFFFAOYSA-N -1 3 396.487 3.733 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842853 877662388 /nfs/dbraw/zinc/66/23/88/877662388.db2.gz DFEMPJLPGIMMKD-UHFFFAOYSA-N -1 3 379.815 3.998 20 0 GHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NCCC1=CCCCC1 ZINC000787846596 877664236 /nfs/dbraw/zinc/66/42/36/877664236.db2.gz WPHLNZHJRUGEQG-HNNXBMFYSA-N -1 3 377.456 3.792 20 0 GHADHM CC[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccc(OC)cc1 ZINC000787846356 877665454 /nfs/dbraw/zinc/66/54/54/877665454.db2.gz VVSNYUSDMCCBPW-IBGZPJMESA-N -1 3 389.423 3.823 20 0 GHADHM CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000027091904 877726012 /nfs/dbraw/zinc/72/60/12/877726012.db2.gz NFLVFPGDPOHHEI-AWEZNQCLSA-N -1 3 378.469 3.853 20 0 GHADHM O=S(=O)([N-]CCC1SCCS1)c1cc(Cl)ccc1C(F)(F)F ZINC000851845441 877939058 /nfs/dbraw/zinc/93/90/58/877939058.db2.gz MAHSKADMLLYSDD-UHFFFAOYSA-N -1 3 391.889 3.833 20 0 GHADHM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc2sccc2c([O-])c1 ZINC000788309479 878012055 /nfs/dbraw/zinc/01/20/55/878012055.db2.gz RDUYSICLZJRMES-HNNXBMFYSA-N -1 3 384.432 3.671 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000530649337 878240190 /nfs/dbraw/zinc/24/01/90/878240190.db2.gz QRSMWJNRGXDNFT-QZTJIDSGSA-N -1 3 384.480 3.825 20 0 GHADHM Cc1c([O-])ccc2c(CN3CCOC[C@@H]3c3cc(F)cc(F)c3)cc(=O)oc12 ZINC000852538844 878410222 /nfs/dbraw/zinc/41/02/22/878410222.db2.gz MPOLCNMZYWECAI-GOSISDBHSA-N -1 3 387.382 3.659 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccc(F)cc2)sc1Cl ZINC000788904882 878442585 /nfs/dbraw/zinc/44/25/85/878442585.db2.gz YUVOPOUMGWLDCL-GWCFXTLKSA-N -1 3 377.890 3.640 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)s1 ZINC000451812623 878504054 /nfs/dbraw/zinc/50/40/54/878504054.db2.gz CQNTVIFWUXPQGS-YPMHNXCESA-N -1 3 396.372 3.549 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000789078659 878592373 /nfs/dbraw/zinc/59/23/73/878592373.db2.gz NOHAQEFAYCJMNT-JTQLQIEISA-N -1 3 398.333 3.856 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)c([O-])c1 ZINC000616170530 878626252 /nfs/dbraw/zinc/62/62/52/878626252.db2.gz NWZKGKARMZMMRK-HNNXBMFYSA-N -1 3 377.481 3.623 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)c1c(C)noc1C ZINC000180217362 878660155 /nfs/dbraw/zinc/66/01/55/878660155.db2.gz MEVUHFNZXWRIDY-NSHDSACASA-N -1 3 387.845 3.591 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000460833104 878681912 /nfs/dbraw/zinc/68/19/12/878681912.db2.gz DFWXVUUKSBJEDS-CQSZACIVSA-N -1 3 376.478 3.647 20 0 GHADHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)o1 ZINC000451957175 878766330 /nfs/dbraw/zinc/76/63/30/878766330.db2.gz ISTXHUGCJUKQGX-UHFFFAOYSA-N -1 3 393.690 3.522 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2csc(CCc3ccccc3)n2)c1 ZINC000530960336 878806262 /nfs/dbraw/zinc/80/62/62/878806262.db2.gz XQZWWIBPRMEYFA-UHFFFAOYSA-N -1 3 395.484 3.522 20 0 GHADHM CO[C@@H](C)c1nc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cs1 ZINC000530974333 878859059 /nfs/dbraw/zinc/85/90/59/878859059.db2.gz SBYKNDXILRIUKP-NSHDSACASA-N -1 3 399.476 3.643 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000531015243 878949404 /nfs/dbraw/zinc/94/94/04/878949404.db2.gz QWJXISLISDEQBP-STQMWFEESA-N -1 3 390.233 3.668 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Br ZINC000003581387 879078734 /nfs/dbraw/zinc/07/87/34/879078734.db2.gz KEYHJFWVDPDDLF-UHFFFAOYSA-N -1 3 380.185 3.976 20 0 GHADHM CCCCOc1c(Cl)cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1OC ZINC000616826247 879133155 /nfs/dbraw/zinc/13/31/55/879133155.db2.gz JYCJMMPMLFHAEE-OAHLLOKOSA-N -1 3 393.871 3.776 20 0 GHADHM CSc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178580666 879150685 /nfs/dbraw/zinc/15/06/85/879150685.db2.gz NWTWIOZHGBKTIW-UHFFFAOYSA-N -1 3 381.295 3.876 20 0 GHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3ccccc3F)n2)c(F)c1F ZINC000461097627 879166422 /nfs/dbraw/zinc/16/64/22/879166422.db2.gz ZFHOMUDRWAFTKX-UHFFFAOYSA-N -1 3 377.297 3.884 20 0 GHADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000452232964 879170534 /nfs/dbraw/zinc/17/05/34/879170534.db2.gz RPYYSAYDUHTBSP-IVZWLZJFSA-N -1 3 388.336 3.998 20 0 GHADHM CC(C)c1ccc2ncnc(N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000853637022 879196122 /nfs/dbraw/zinc/19/61/22/879196122.db2.gz MCIVSLMWAGAONX-ZDUSSCGKSA-N -1 3 380.414 3.648 20 0 GHADHM CCCCc1nc(NC(=O)Cc2c[nH]c3c2cccc3C)c(C(=O)OCC)[n-]1 ZINC000616916433 879264394 /nfs/dbraw/zinc/26/43/94/879264394.db2.gz PZJHOLHCXDPVIF-UHFFFAOYSA-N -1 3 382.464 3.900 20 0 GHADHM Cc1c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nnn1CC1CCCC1 ZINC000789945683 879359852 /nfs/dbraw/zinc/35/98/52/879359852.db2.gz OLHVOKKYEOIEKD-UHFFFAOYSA-N -1 3 386.456 3.687 20 0 GHADHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCO1 ZINC000493961928 879777952 /nfs/dbraw/zinc/77/79/52/879777952.db2.gz ROXDGIYTXDMKCV-QWRGUYRKSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cccc(Cl)c1Br ZINC000493991958 879795278 /nfs/dbraw/zinc/79/52/78/879795278.db2.gz KADWDXKYYTTWOZ-UHFFFAOYSA-N -1 3 388.661 3.959 20 0 GHADHM COc1cc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc(OC)c1[O-] ZINC000617459066 879815269 /nfs/dbraw/zinc/81/52/69/879815269.db2.gz ALXPUFWNJNFHFY-KRWDZBQOSA-N -1 3 385.460 3.619 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)COc3c(Cl)cccc3Cl)nc21 ZINC000494103646 879924796 /nfs/dbraw/zinc/92/47/96/879924796.db2.gz WRUINLMFJGOUKQ-UHFFFAOYSA-N -1 3 394.214 3.674 20 0 GHADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452755387 879963779 /nfs/dbraw/zinc/96/37/79/879963779.db2.gz NJEXJPWXMKLCRF-YPMHNXCESA-N -1 3 397.313 3.686 20 0 GHADHM Cc1ccc(Nc2cccc(C(=O)Nc3cc(Br)ccc3[O-])c2)nn1 ZINC000531492499 879964036 /nfs/dbraw/zinc/96/40/36/879964036.db2.gz BPCPTXCMBIDDEN-UHFFFAOYSA-N -1 3 399.248 3.671 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1 ZINC000854638706 879968309 /nfs/dbraw/zinc/96/83/09/879968309.db2.gz HQWROBWAYGIYMU-ZDUSSCGKSA-N -1 3 386.473 3.952 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c(C(F)(F)F)c(F)c3)nc21 ZINC000617516968 880043780 /nfs/dbraw/zinc/04/37/80/880043780.db2.gz KWGKWUZIHLTJFX-UHFFFAOYSA-N -1 3 399.275 3.899 20 0 GHADHM COc1ccc(N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N-]S(C)(=O)=O ZINC000181181681 880063325 /nfs/dbraw/zinc/06/33/25/880063325.db2.gz HNXHGTQMUDBCCA-CQSZACIVSA-N -1 3 399.516 3.826 20 0 GHADHM COc1ccc(N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N-]S(C)(=O)=O ZINC000181181666 880063528 /nfs/dbraw/zinc/06/35/28/880063528.db2.gz HNXHGTQMUDBCCA-AWEZNQCLSA-N -1 3 399.516 3.826 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000855037639 880233199 /nfs/dbraw/zinc/23/31/99/880233199.db2.gz SYAPFHODMHQROH-CHWSQXEVSA-N -1 3 380.510 3.632 20 0 GHADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000531703106 880332343 /nfs/dbraw/zinc/33/23/43/880332343.db2.gz HBMSMLOWSOGZRC-MFKMUULPSA-N -1 3 379.254 3.871 20 0 GHADHM COc1ccc(-n2ccc(CNC(=O)c3cc4sccc4c([O-])c3)n2)cc1 ZINC000791338497 880340740 /nfs/dbraw/zinc/34/07/40/880340740.db2.gz YZNAETVSVIKEAS-UHFFFAOYSA-N -1 3 379.441 3.731 20 0 GHADHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc2sccc2c([O-])c1 ZINC000791365468 880374295 /nfs/dbraw/zinc/37/42/95/880374295.db2.gz ABIKOIMHUVUQHY-HNNXBMFYSA-N -1 3 386.860 3.796 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001183518857 912579260 /nfs/dbraw/zinc/57/92/60/912579260.db2.gz PTJYMJJOEAZLGA-KGLIPLIRSA-N -1 3 380.485 3.603 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3ccoc3)c2)cc1 ZINC000531966797 880833689 /nfs/dbraw/zinc/83/36/89/880833689.db2.gz BJJZQGGZLWUWGU-OAHLLOKOSA-N -1 3 386.473 3.940 20 0 GHADHM COc1cc(OC)c(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1F ZINC000532037611 880955953 /nfs/dbraw/zinc/95/59/53/880955953.db2.gz DWLARILGQCINBN-UHFFFAOYSA-N -1 3 398.394 3.958 20 0 GHADHM O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([O-])c2ccccc2c1 ZINC000792229298 880993184 /nfs/dbraw/zinc/99/31/84/880993184.db2.gz XIBFTSNUHRAZFG-GOSISDBHSA-N -1 3 391.345 3.907 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2noc(-c3ccccc3C)n2)[n-]c1-c1ccccc1 ZINC000186846580 881003971 /nfs/dbraw/zinc/00/39/71/881003971.db2.gz OXJNRRCHUFKEJZ-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2noc(-c3ccccc3C)n2)nc1-c1ccccc1 ZINC000186846580 881003989 /nfs/dbraw/zinc/00/39/89/881003989.db2.gz OXJNRRCHUFKEJZ-UHFFFAOYSA-N -1 3 394.456 3.717 20 0 GHADHM CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275211031 912639410 /nfs/dbraw/zinc/63/94/10/912639410.db2.gz YHLAPVUBGLGSGX-FZKQIMNGSA-N -1 3 381.314 3.520 20 0 GHADHM O=C(CCC(=O)c1csc2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000132364720 881106303 /nfs/dbraw/zinc/10/63/03/881106303.db2.gz YBJAXKXAOSQQEI-UHFFFAOYSA-N -1 3 377.429 3.683 20 0 GHADHM O=C(CCC(=O)c1csc2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000132364720 881106312 /nfs/dbraw/zinc/10/63/12/881106312.db2.gz YBJAXKXAOSQQEI-UHFFFAOYSA-N -1 3 377.429 3.683 20 0 GHADHM COc1ccccc1C(C)(C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640291816 881150643 /nfs/dbraw/zinc/15/06/43/881150643.db2.gz DVTASGPXRYEFOD-UHFFFAOYSA-N -1 3 390.793 3.586 20 0 GHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C12CCC2 ZINC000532162946 881325416 /nfs/dbraw/zinc/32/54/16/881325416.db2.gz GVAIGBAADXICGW-RTBURBONSA-N -1 3 396.491 3.969 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1F ZINC000792611824 881336669 /nfs/dbraw/zinc/33/66/69/881336669.db2.gz RQMJLEWGZAKHIC-GFCCVEGCSA-N -1 3 398.887 3.657 20 0 GHADHM Cc1nccn1-c1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000475755487 883229196 /nfs/dbraw/zinc/22/91/96/883229196.db2.gz YIYBMGNLJWNYFJ-ZDUSSCGKSA-N -1 3 391.443 3.807 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C(F)(F)F ZINC000551113431 883301397 /nfs/dbraw/zinc/30/13/97/883301397.db2.gz WRXLHUWGBRYGPA-UHFFFAOYSA-N -1 3 391.342 3.740 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135574469 883451145 /nfs/dbraw/zinc/45/11/45/883451145.db2.gz VWJMJZOHRZNKTE-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135574469 883451156 /nfs/dbraw/zinc/45/11/56/883451156.db2.gz VWJMJZOHRZNKTE-UHFFFAOYSA-N -1 3 382.474 3.536 20 0 GHADHM Cc1ccc([C@H]2CCCN2C(=O)N=c2[n-]n(C)cc2Br)cc1C ZINC000640310136 883594169 /nfs/dbraw/zinc/59/41/69/883594169.db2.gz UMAJVAGUVDMJBT-OAHLLOKOSA-N -1 3 377.286 3.590 20 0 GHADHM COc1ccccc1[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccco1 ZINC000185975068 883612448 /nfs/dbraw/zinc/61/24/48/883612448.db2.gz HPMRIRGMQIIRPP-HXUWFJFHSA-N -1 3 398.440 3.638 20 0 GHADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914488950 883672168 /nfs/dbraw/zinc/67/21/68/883672168.db2.gz HSWURKNLKFZMIZ-RDJZCZTQSA-N -1 3 396.528 3.601 20 0 GHADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000551362823 883720827 /nfs/dbraw/zinc/72/08/27/883720827.db2.gz QREVQUQCDDXVDH-UHFFFAOYSA-N -1 3 386.879 3.523 20 0 GHADHM COc1cc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000136204360 883738354 /nfs/dbraw/zinc/73/83/54/883738354.db2.gz YJCBPFWDTFAJDW-NSHDSACASA-N -1 3 394.265 3.533 20 0 GHADHM Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)ccc12 ZINC000805345605 883769617 /nfs/dbraw/zinc/76/96/17/883769617.db2.gz ZLSXGBXRPGOBFI-UHFFFAOYSA-N -1 3 379.412 3.797 20 0 GHADHM COC(=O)c1cnc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000187598820 883802364 /nfs/dbraw/zinc/80/23/64/883802364.db2.gz OXNPOWFQWRWGCV-UHFFFAOYSA-N -1 3 384.339 3.557 20 0 GHADHM COC(=O)c1sc2[n-]c(Cc3nc(-c4ccccc4)oc3C)nc(=O)c2c1C ZINC000012810135 883820316 /nfs/dbraw/zinc/82/03/16/883820316.db2.gz UNXBRLLJXZMEIK-UHFFFAOYSA-N -1 3 395.440 3.634 20 0 GHADHM COc1ccncc1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000805504125 883863931 /nfs/dbraw/zinc/86/39/31/883863931.db2.gz BFOIWIKXALIRKY-UHFFFAOYSA-N -1 3 388.221 3.600 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3n[nH]nc3-c3ccccc3)nc(=O)c2c1C ZINC000805553273 883895337 /nfs/dbraw/zinc/89/53/37/883895337.db2.gz LMQMOVZDDSNJAM-SNVBAGLBSA-N -1 3 395.444 3.717 20 0 GHADHM CCN(CC1CCN(C(=O)c2c(C)cccc2[O-])CC1)C(=O)OC(C)(C)C ZINC000859771470 884050065 /nfs/dbraw/zinc/05/00/65/884050065.db2.gz YQXABJBBGORWBH-UHFFFAOYSA-N -1 3 376.497 3.810 20 0 GHADHM CCC(CC)N(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000494846022 884063756 /nfs/dbraw/zinc/06/37/56/884063756.db2.gz PBVNFKIUTHJTAV-UHFFFAOYSA-N -1 3 381.473 3.605 20 0 GHADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)o1 ZINC000859792503 884067417 /nfs/dbraw/zinc/06/74/17/884067417.db2.gz DOLNYQRROUCIDE-INIZCTEOSA-N -1 3 385.460 3.662 20 0 GHADHM CC(C)CCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024883753 884084238 /nfs/dbraw/zinc/08/42/38/884084238.db2.gz NCFZMZXYDMSRES-UHFFFAOYSA-N -1 3 376.478 3.735 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000263140473 884178337 /nfs/dbraw/zinc/17/83/37/884178337.db2.gz DOYYXBPVEDOAKS-SJLPKXTDSA-N -1 3 390.499 3.530 20 0 GHADHM CCC1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000914610267 884326784 /nfs/dbraw/zinc/32/67/84/884326784.db2.gz RVTGMPCWVWKKCB-UHFFFAOYSA-N -1 3 398.544 3.943 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263170932 884358776 /nfs/dbraw/zinc/35/87/76/884358776.db2.gz RZACITOKSVTKDM-RCCFBDPRSA-N -1 3 382.504 3.982 20 0 GHADHM CN1CCC(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000556289143 884381387 /nfs/dbraw/zinc/38/13/87/884381387.db2.gz YZIMFGCWOHRTPZ-UHFFFAOYSA-N -1 3 398.887 3.753 20 0 GHADHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(OC(C)C)c1 ZINC000476326322 884397706 /nfs/dbraw/zinc/39/77/06/884397706.db2.gz KJGCKLVGBYCEQS-UHFFFAOYSA-N -1 3 394.265 3.881 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c1 ZINC000795775182 912825358 /nfs/dbraw/zinc/82/53/58/912825358.db2.gz KGRXUQUENBAAKB-OAHLLOKOSA-N -1 3 395.477 3.518 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000228884362 884465453 /nfs/dbraw/zinc/46/54/53/884465453.db2.gz NDRQEWVIZNZRRU-WDEREUQCSA-N -1 3 382.320 3.541 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)/C=C/C1CCCC1 ZINC000843791701 884514401 /nfs/dbraw/zinc/51/44/01/884514401.db2.gz SRMBVYBDUFVVOA-RMKNXTFCSA-N -1 3 376.400 3.762 20 0 GHADHM Cc1n[n-]c(=NCc2cc(Br)cc(C)c2OC(F)F)n1C1CC1 ZINC000556338598 884521475 /nfs/dbraw/zinc/52/14/75/884521475.db2.gz BNZVEPDXNGWSAS-UHFFFAOYSA-N -1 3 387.228 3.628 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000918939958 884628074 /nfs/dbraw/zinc/62/80/74/884628074.db2.gz SDWJELOHKSSKCZ-JTQLQIEISA-N -1 3 378.400 3.884 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000537492132 884651143 /nfs/dbraw/zinc/65/11/43/884651143.db2.gz FHPMBQHMGFNOOT-RDJZCZTQSA-N -1 3 393.409 3.813 20 0 GHADHM O=C(c1cnn(C2CCCC2)c1-c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226189 884678837 /nfs/dbraw/zinc/67/88/37/884678837.db2.gz LQVVLGJEOZVWEH-INIZCTEOSA-N -1 3 391.475 3.724 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000495179562 884744587 /nfs/dbraw/zinc/74/45/87/884744587.db2.gz DIUDGSMWBNRJEV-CYBMUJFWSA-N -1 3 397.269 3.940 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000919061888 884831890 /nfs/dbraw/zinc/83/18/90/884831890.db2.gz VDGCEIVNAWLHSS-ZDUSSCGKSA-N -1 3 393.399 3.792 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000919061888 884831902 /nfs/dbraw/zinc/83/19/02/884831902.db2.gz VDGCEIVNAWLHSS-ZDUSSCGKSA-N -1 3 393.399 3.792 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2F)ccc1F ZINC000919084472 884862663 /nfs/dbraw/zinc/86/26/63/884862663.db2.gz PTYOZTUPMCXLCM-GFCCVEGCSA-N -1 3 383.416 3.570 20 0 GHADHM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1cc([O-])ccc1Cl ZINC000556433898 884878015 /nfs/dbraw/zinc/87/80/15/884878015.db2.gz LXEBWBQTADWFHH-UHFFFAOYSA-N -1 3 383.778 3.529 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000861010270 885163740 /nfs/dbraw/zinc/16/37/40/885163740.db2.gz MVULKJMUGUGVPK-QMTYFTJSSA-N -1 3 386.391 3.692 20 0 GHADHM COCCOc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1Cl ZINC000747368128 885168417 /nfs/dbraw/zinc/16/84/17/885168417.db2.gz MWJHYLOWVVAKJF-UHFFFAOYSA-N -1 3 379.844 3.545 20 0 GHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001183916801 912905085 /nfs/dbraw/zinc/90/50/85/912905085.db2.gz MFMDHAPXTHJZSC-TWMKSMIVSA-N -1 3 380.529 3.737 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000498662542 885213647 /nfs/dbraw/zinc/21/36/47/885213647.db2.gz YOPBMDKZQZFIJR-DGCLKSJQSA-N -1 3 386.373 3.964 20 0 GHADHM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000053500777 885242040 /nfs/dbraw/zinc/24/20/40/885242040.db2.gz KFHMXCFFWWLPTI-HXUWFJFHSA-N -1 3 395.890 3.748 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(F)cc2)ccc1F ZINC000914939323 885246322 /nfs/dbraw/zinc/24/63/22/885246322.db2.gz NSQYCPHOZXVMDS-LBPRGKRZSA-N -1 3 383.416 3.570 20 0 GHADHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104138495 885295290 /nfs/dbraw/zinc/29/52/90/885295290.db2.gz ZZTWWEADOCVXRL-UHFFFAOYSA-N -1 3 383.816 3.599 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000123812297 885416919 /nfs/dbraw/zinc/41/69/19/885416919.db2.gz KZFZAJGGWYFJTO-HUUCEWRRSA-N -1 3 375.266 3.758 20 0 GHADHM C[C@H](CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1c[nH]c2ccccc21 ZINC000614823601 885549436 /nfs/dbraw/zinc/54/94/36/885549436.db2.gz BWWAYQVXZHUBPW-RBSFLKMASA-N -1 3 394.475 3.542 20 0 GHADHM COc1ccc([C@@H]2CCCCCN2C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118307391 885582010 /nfs/dbraw/zinc/58/20/10/885582010.db2.gz YBIBYDKTSVBOMK-IBGZPJMESA-N -1 3 377.444 3.689 20 0 GHADHM CCc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cnn1-c1cccc(Cl)c1 ZINC000498746784 885609486 /nfs/dbraw/zinc/60/94/86/885609486.db2.gz HQSCUKQFRZVCHN-UHFFFAOYSA-N -1 3 382.811 3.719 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1nnc2ccccc2c1[O-] ZINC000118345132 885629312 /nfs/dbraw/zinc/62/93/12/885629312.db2.gz VZGWNCHDRYDTJR-UHFFFAOYSA-N -1 3 395.484 3.588 20 0 GHADHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2c(C)noc2C(F)(F)F)n1 ZINC000807877071 885841951 /nfs/dbraw/zinc/84/19/51/885841951.db2.gz KKAZEUHBKFFLGQ-UHFFFAOYSA-N -1 3 391.371 3.551 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(C)c1C ZINC000117228853 886042809 /nfs/dbraw/zinc/04/28/09/886042809.db2.gz DWOBJGVBNSVTDM-UHFFFAOYSA-N -1 3 375.475 3.631 20 0 GHADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000055634739 886124074 /nfs/dbraw/zinc/12/40/74/886124074.db2.gz VKZFPEZOWZJHQR-LBPRGKRZSA-N -1 3 390.361 3.744 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H](OCC(F)(F)F)C2)nc2c3ccccc3oc21 ZINC000532588031 886196340 /nfs/dbraw/zinc/19/63/40/886196340.db2.gz VRTOVBGJIVMOPQ-LLVKDONJSA-N -1 3 381.354 3.625 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1C(C)C ZINC000056409703 886233814 /nfs/dbraw/zinc/23/38/14/886233814.db2.gz KGIZQEXDJFAFKZ-OAHLLOKOSA-N -1 3 390.505 3.896 20 0 GHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000116634154 886369337 /nfs/dbraw/zinc/36/93/37/886369337.db2.gz IASRNPGZXONZAC-UHFFFAOYSA-N -1 3 388.471 3.906 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(SC)c2)cc1C ZINC000556877066 886412553 /nfs/dbraw/zinc/41/25/53/886412553.db2.gz XOUJHXAPPJIZCU-UHFFFAOYSA-N -1 3 397.518 3.552 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1c(C)noc1C ZINC000119322647 886590894 /nfs/dbraw/zinc/59/08/94/886590894.db2.gz MRMNVESXMJIRSJ-GFCCVEGCSA-N -1 3 380.363 3.879 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1ccccn1)c1cc(F)cc(F)c1 ZINC000131975921 886625096 /nfs/dbraw/zinc/62/50/96/886625096.db2.gz RVMGLVXMEJSGSJ-SFHVURJKSA-N -1 3 378.375 3.567 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000862831082 886680692 /nfs/dbraw/zinc/68/06/92/886680692.db2.gz CWKHVQMXENDAQA-UHFFFAOYSA-N -1 3 384.436 3.683 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000057558863 886744631 /nfs/dbraw/zinc/74/46/31/886744631.db2.gz SDSOJDWJNJAZLP-KRWDZBQOSA-N -1 3 390.386 3.759 20 0 GHADHM COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000132292799 886778602 /nfs/dbraw/zinc/77/86/02/886778602.db2.gz RKHRGGFEYUKSSP-JTQLQIEISA-N -1 3 397.244 3.863 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000124755776 886790872 /nfs/dbraw/zinc/79/08/72/886790872.db2.gz PYRCNUUARLHDNL-UHFFFAOYSA-N -1 3 397.884 3.617 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccnc(Oc4ccccc4)c3)nc21 ZINC000536547483 886960878 /nfs/dbraw/zinc/96/08/78/886960878.db2.gz XAJKWLPHQLXNNZ-UHFFFAOYSA-N -1 3 388.383 3.789 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000863264759 886978900 /nfs/dbraw/zinc/97/89/00/886978900.db2.gz LFQFIAZQMXLZDI-UHFFFAOYSA-N -1 3 392.790 3.752 20 0 GHADHM CCCCCNC(=O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459298716 887135984 /nfs/dbraw/zinc/13/59/84/887135984.db2.gz KDTNRMRGFGPIOT-UHFFFAOYSA-N -1 3 383.330 3.673 20 0 GHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000128307385 887170977 /nfs/dbraw/zinc/17/09/77/887170977.db2.gz LPBIROIDOJXFKP-NSHDSACASA-N -1 3 383.345 3.800 20 0 GHADHM CCOc1cc(CN2CCN(Cc3csc(C)n3)CC2)cc(Cl)c1[O-] ZINC000459308990 887247309 /nfs/dbraw/zinc/24/73/09/887247309.db2.gz LCRARWZQYYFYGD-UHFFFAOYSA-N -1 3 381.929 3.527 20 0 GHADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000809287797 887275078 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C[C@@H](c1cccc(Br)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068264 888155027 /nfs/dbraw/zinc/15/50/27/888155027.db2.gz LXFUKVGLDUUWQD-RYUDHWBXSA-N -1 3 393.247 3.901 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1)C(F)(F)F ZINC000810070855 888156779 /nfs/dbraw/zinc/15/67/79/888156779.db2.gz XRIIZGCMUIDIMZ-ZDUSSCGKSA-N -1 3 383.439 3.701 20 0 GHADHM Cc1c(Cl)cccc1-n1ccnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865348443 888309853 /nfs/dbraw/zinc/30/98/53/888309853.db2.gz QROFPITVCNWXNT-UHFFFAOYSA-N -1 3 388.880 3.695 20 0 GHADHM O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000810274756 888372190 /nfs/dbraw/zinc/37/21/90/888372190.db2.gz YJWBYGDIAIKFBY-OAHLLOKOSA-N -1 3 394.176 3.879 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000794865181 888536004 /nfs/dbraw/zinc/53/60/04/888536004.db2.gz OQQKQBYAZKFVMQ-SECBINFHSA-N -1 3 388.287 3.587 20 0 GHADHM Cc1nc2cccnc2c([N-][C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)n1 ZINC001170608831 888605806 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GHADHM C/C(=C/C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000810901023 889009984 /nfs/dbraw/zinc/00/99/84/889009984.db2.gz VPYDTAYOEFQIBK-LLBKUYECSA-N -1 3 388.817 3.660 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000811015519 889070765 /nfs/dbraw/zinc/07/07/65/889070765.db2.gz PDZBNEBCTRJZNB-LJQANCHMSA-N -1 3 382.888 3.813 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000763375225 889075855 /nfs/dbraw/zinc/07/58/55/889075855.db2.gz ZTJCZQACRUIJSK-UHFFFAOYSA-N -1 3 386.713 3.971 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000532855707 889089946 /nfs/dbraw/zinc/08/99/46/889089946.db2.gz YIDPCWVWOPDJCM-LLVKDONJSA-N -1 3 379.894 3.898 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CCC2)s1 ZINC000532855002 889091175 /nfs/dbraw/zinc/09/11/75/889091175.db2.gz QSJJMZBDGBHEOB-UHFFFAOYSA-N -1 3 387.324 3.572 20 0 GHADHM O=C1N(CC(F)F)CCC12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)CC2 ZINC001275321708 913336913 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20 0 GHADHM COc1ccc(CN2CCCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000125056891 889860450 /nfs/dbraw/zinc/86/04/50/889860450.db2.gz IVSXBPKQKZXNHW-UHFFFAOYSA-N -1 3 390.483 3.902 20 0 GHADHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc2ccnc(Cl)c2s1 ZINC000869463014 889949935 /nfs/dbraw/zinc/94/99/35/889949935.db2.gz KOOACECVVSNJAC-UHFFFAOYSA-N -1 3 380.882 3.948 20 0 GHADHM Cc1nc(C)c(CC(=O)O[C@H]2CCCc3nc(-c4ccccc4)sc32)c(=O)[n-]1 ZINC000122623466 889970143 /nfs/dbraw/zinc/97/01/43/889970143.db2.gz LBVHDJHAOPVZNX-KRWDZBQOSA-N -1 3 395.484 3.674 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000869584807 890000682 /nfs/dbraw/zinc/00/06/82/890000682.db2.gz LSKHJEYILAJSCX-ZBFHGGJFSA-N -1 3 393.846 3.667 20 0 GHADHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000125554326 890035594 /nfs/dbraw/zinc/03/55/94/890035594.db2.gz LLEFUHJIZHQLAQ-UHFFFAOYSA-N -1 3 390.358 3.912 20 0 GHADHM CCC(C)(C)NC(=O)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000125617690 890055209 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GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2cccs2)c1 ZINC000542601779 890374715 /nfs/dbraw/zinc/37/47/15/890374715.db2.gz RLZAZIJMUMLBAJ-UHFFFAOYSA-N -1 3 385.445 3.668 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCc2ccccc2C1 ZINC000126289780 890457658 /nfs/dbraw/zinc/45/76/58/890457658.db2.gz SUHMKSFGVVVTQK-MRXNPFEDSA-N -1 3 389.293 3.854 20 0 GHADHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000812327480 890539217 /nfs/dbraw/zinc/53/92/17/890539217.db2.gz MDBYGUWXZXDPRW-UHFFFAOYSA-N -1 3 377.210 3.540 20 0 GHADHM CCC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)cc1F ZINC000126473550 890552183 /nfs/dbraw/zinc/55/21/83/890552183.db2.gz BIQUCOFKTXVECW-ZDUSSCGKSA-N -1 3 389.445 3.633 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1F ZINC000126530812 890580238 /nfs/dbraw/zinc/58/02/38/890580238.db2.gz JLETYMHIDNNOQM-UHFFFAOYSA-N -1 3 383.294 3.673 20 0 GHADHM CCCCCCOc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1 ZINC000812382993 890592994 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Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)n1 ZINC000127675598 891202895 /nfs/dbraw/zinc/20/28/95/891202895.db2.gz JSSNCTIUMQSNKD-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CC[C@H](SC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000127749674 891231605 /nfs/dbraw/zinc/23/16/05/891231605.db2.gz VPXWASYORNCKDQ-KRWDZBQOSA-N -1 3 378.519 3.876 20 0 GHADHM COc1cc(-c2noc([C@H]3CCN3C3CCCC3)n2)cc(Br)c1[O-] ZINC000924008756 891527321 /nfs/dbraw/zinc/52/73/21/891527321.db2.gz QWOZQEAAQRWSET-CYBMUJFWSA-N -1 3 394.269 3.903 20 0 GHADHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN[C@@H](C)CC(=O)[O-] ZINC000813354879 891535117 /nfs/dbraw/zinc/53/51/17/891535117.db2.gz LMFGKKPOGGAISG-VIFPVBQESA-N -1 3 375.778 3.806 20 0 GHADHM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)ccc1Br ZINC000747860476 891762117 /nfs/dbraw/zinc/76/21/17/891762117.db2.gz YNNNPGDAKICYCO-UHFFFAOYSA-N -1 3 399.310 3.633 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC3CCCCC3)c2)c1 ZINC000030016952 891764881 /nfs/dbraw/zinc/76/48/81/891764881.db2.gz LICKFEAMNNATJW-UHFFFAOYSA-N -1 3 398.459 3.724 20 0 GHADHM CCC[C@H](C)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000030017035 891764956 /nfs/dbraw/zinc/76/49/56/891764956.db2.gz PUYHURWWJTYDLB-ZDUSSCGKSA-N -1 3 386.448 3.580 20 0 GHADHM C[C@H](CCCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000813716632 891893893 /nfs/dbraw/zinc/89/38/93/891893893.db2.gz IJVZAOPAJWTEHX-LLVKDONJSA-N -1 3 396.962 3.763 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3ccc(-n4cnc5ccccc54)cc3)no2)[n-]1 ZINC000813887523 892070756 /nfs/dbraw/zinc/07/07/56/892070756.db2.gz KDQDLERNEWNDKV-UHFFFAOYSA-N -1 3 385.383 3.857 20 0 GHADHM Cc1cccc2nc(C3CCN(C(=O)c4cc5c(cc4[O-])OCO5)CC3)oc21 ZINC000444545686 892243795 /nfs/dbraw/zinc/24/37/95/892243795.db2.gz IULXMHJILOWFAS-UHFFFAOYSA-N -1 3 380.400 3.590 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NCc2ccccc2OCc2ccccc2)c2ccccc21 ZINC000917602535 892270771 /nfs/dbraw/zinc/27/07/71/892270771.db2.gz NAHZBLGIFPWZEF-QNGOZBTKSA-N -1 3 384.435 3.666 20 0 GHADHM CC(=O)N1CCCc2cc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)ccc21 ZINC000128686893 892274291 /nfs/dbraw/zinc/27/42/91/892274291.db2.gz HGTINAHXBXPVAL-UHFFFAOYSA-N -1 3 393.418 3.527 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nccnc2C(F)F)CC1 ZINC000288077162 913648185 /nfs/dbraw/zinc/64/81/85/913648185.db2.gz HKSYDDHNVVFJMY-UHFFFAOYSA-N -1 3 382.798 3.628 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000288082396 913650029 /nfs/dbraw/zinc/65/00/29/913650029.db2.gz ZKQFAJTTWKRNHZ-FQEVSTJZSA-N -1 3 393.405 3.903 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1csc(-c2ccc(Br)cc2)n1 ZINC001212229104 892321252 /nfs/dbraw/zinc/32/12/52/892321252.db2.gz ICIXIIQVXPJDJZ-PTEHBNRSSA-N -1 3 399.335 3.649 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)C3(c4cccc(Br)c4)CC3)n[n-]2)o1 ZINC000497742164 892347958 /nfs/dbraw/zinc/34/79/58/892347958.db2.gz JRLWUQQIMWGSDM-UHFFFAOYSA-N -1 3 387.237 3.806 20 0 GHADHM CCOC(=O)CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000917653639 892382832 /nfs/dbraw/zinc/38/28/32/892382832.db2.gz MTUXNVXIRPDXBQ-UHFFFAOYSA-N -1 3 382.309 3.785 20 0 GHADHM C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263115042 892440355 /nfs/dbraw/zinc/44/03/55/892440355.db2.gz LKSGXTPAAMMZNT-RTBURBONSA-N -1 3 394.515 3.858 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263154033 892454115 /nfs/dbraw/zinc/45/41/15/892454115.db2.gz PURQEXJQSCUHQN-KSZLIROESA-N -1 3 386.536 3.708 20 0 GHADHM Cc1cc(Br)cn2c(CN3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cnc12 ZINC000263512339 892582694 /nfs/dbraw/zinc/58/26/94/892582694.db2.gz NTGCACUDSYRQON-MAZHCROVSA-N -1 3 392.297 3.623 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)n[n-]2)o1 ZINC000162490816 892603109 /nfs/dbraw/zinc/60/31/09/892603109.db2.gz XCPLGVPOABRWSX-UHFFFAOYSA-N -1 3 389.415 3.528 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]nc3-c3ccccc3Cl)nc21 ZINC000162511717 892630432 /nfs/dbraw/zinc/63/04/32/892630432.db2.gz CPQLWXJBMJAJEV-UHFFFAOYSA-N -1 3 395.806 3.645 20 0 GHADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000068786938 892751300 /nfs/dbraw/zinc/75/13/00/892751300.db2.gz IQDLEEZCOAERGT-LLVKDONJSA-N -1 3 378.222 3.763 20 0 GHADHM [O-]c1cccc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)c1Cl ZINC000645151822 913709814 /nfs/dbraw/zinc/70/98/14/913709814.db2.gz UKHGQFCCQGZBFB-LLVKDONJSA-N -1 3 376.667 3.882 20 0 GHADHM CC[C@H]1CCCc2sc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)nc21 ZINC001134519082 892964897 /nfs/dbraw/zinc/96/48/97/892964897.db2.gz NETMSADNVWZNAB-JTQLQIEISA-N -1 3 399.563 3.537 20 0 GHADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1c(C)ccnc1Cl ZINC000125766215 892977505 /nfs/dbraw/zinc/97/75/05/892977505.db2.gz ULSJGMBNJGIQCR-UHFFFAOYSA-N -1 3 381.704 3.977 20 0 GHADHM CN1CCO[C@@H]([C@H](NCc2cccc([O-])c2Cl)c2ccc(Cl)cc2)C1 ZINC000645171241 913725185 /nfs/dbraw/zinc/72/51/85/913725185.db2.gz WFZLEKGPDVDVOW-IEBWSBKVSA-N -1 3 381.303 3.861 20 0 GHADHM O=C1C[C@H](NCc2cccc([O-])c2Cl)CN1Cc1ccccc1C(F)(F)F ZINC000645171818 913725630 /nfs/dbraw/zinc/72/56/30/913725630.db2.gz DSAATFPKAVLFPL-AWEZNQCLSA-N -1 3 398.812 3.955 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000129277415 893215374 /nfs/dbraw/zinc/21/53/74/893215374.db2.gz GORRJNNZOVGUDZ-UHFFFAOYSA-N -1 3 380.354 3.899 20 0 GHADHM CCC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000069328973 893259722 /nfs/dbraw/zinc/25/97/22/893259722.db2.gz VIBGOAUUDCRECC-INIZCTEOSA-N -1 3 382.291 3.894 20 0 GHADHM CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000455785707 893271496 /nfs/dbraw/zinc/27/14/96/893271496.db2.gz JBRNQOMHLKTZJK-CQSZACIVSA-N -1 3 391.493 3.724 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C ZINC000918163281 893293035 /nfs/dbraw/zinc/29/30/35/893293035.db2.gz NMOXQCZHOIERHL-UHFFFAOYSA-N -1 3 378.469 3.934 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2cnco2)cc1 ZINC001185238701 913753774 /nfs/dbraw/zinc/75/37/74/913753774.db2.gz HKHRQFXDRKOFNV-INIZCTEOSA-N -1 3 382.363 3.924 20 0 GHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000815071253 893416673 /nfs/dbraw/zinc/41/66/73/893416673.db2.gz HKRMZVRTDVVZJC-UHFFFAOYSA-N -1 3 382.707 3.578 20 0 GHADHM COC(=O)[C@](C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000459409060 893466675 /nfs/dbraw/zinc/46/66/75/893466675.db2.gz NWIQJRUMWGPFMN-GOSISDBHSA-N -1 3 396.274 3.544 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)c[n-]c12 ZINC000129528952 893565206 /nfs/dbraw/zinc/56/52/06/893565206.db2.gz XVHWNYYAYCIDJH-UHFFFAOYSA-N -1 3 390.418 3.992 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000152615388 893651575 /nfs/dbraw/zinc/65/15/75/893651575.db2.gz LEQQATFRRMNIOU-UHFFFAOYSA-N -1 3 389.249 3.995 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)n1 ZINC000129595487 893698555 /nfs/dbraw/zinc/69/85/55/893698555.db2.gz MQHUIFBHVHYUAF-SECBINFHSA-N -1 3 392.282 3.892 20 0 GHADHM [O-]c1cccc(CN2CCC[C@@](CO)(c3ccccc3)C2)c1Br ZINC000459547081 893779207 /nfs/dbraw/zinc/77/92/07/893779207.db2.gz SACCVPIEPOULIU-LJQANCHMSA-N -1 3 376.294 3.681 20 0 GHADHM CN(Cc1cccc([O-])c1Br)C1CCN(CC(F)(F)F)CC1 ZINC000459568219 893835271 /nfs/dbraw/zinc/83/52/71/893835271.db2.gz ZLOGIOFPTFYOKB-UHFFFAOYSA-N -1 3 381.236 3.613 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@H]3CSc4ccccc4O3)nc2)n1 ZINC000645309911 913815537 /nfs/dbraw/zinc/81/55/37/913815537.db2.gz AQPRTTPRCBSYKI-INIZCTEOSA-N -1 3 394.500 3.584 20 0 GHADHM CCOC(=O)c1c(-c2ccc(F)cc2)csc1[N-]C(=O)c1cnsn1 ZINC000918543773 893912249 /nfs/dbraw/zinc/91/22/49/893912249.db2.gz PMDSPKZKEVXJIR-UHFFFAOYSA-N -1 3 377.422 3.835 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(OC(F)(F)F)c1)c2=O ZINC000536862059 893958741 /nfs/dbraw/zinc/95/87/41/893958741.db2.gz GGBPLFOEDPPGPO-UHFFFAOYSA-N -1 3 396.296 3.827 20 0 GHADHM CC(C)(C)c1cc2c([n-]c(CS(=O)(=O)c3ccc(Cl)cc3)nc2=O)s1 ZINC000069982270 894008493 /nfs/dbraw/zinc/00/84/93/894008493.db2.gz CLHZMTOPHTZBQV-UHFFFAOYSA-N -1 3 396.921 3.909 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2cc(Cl)ccc2Br)o1 ZINC000536904807 894077502 /nfs/dbraw/zinc/07/75/02/894077502.db2.gz JYSIHPARMNWFNY-UHFFFAOYSA-N -1 3 378.675 3.525 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878189728 894082455 /nfs/dbraw/zinc/08/24/55/894082455.db2.gz BARWOWXZYJEPJB-JTQLQIEISA-N -1 3 380.275 3.681 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccsc2)c1Br ZINC001185390966 913834872 /nfs/dbraw/zinc/83/48/72/913834872.db2.gz QZCJDFOVNYFMMQ-UHFFFAOYSA-N -1 3 390.280 3.523 20 0 GHADHM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878284464 894159639 /nfs/dbraw/zinc/15/96/39/894159639.db2.gz RMQKMYVRHKJJGM-KRWDZBQOSA-N -1 3 381.432 3.569 20 0 GHADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCO4)c2n1 ZINC000533896966 894242579 /nfs/dbraw/zinc/24/25/79/894242579.db2.gz TVJXGZUTBONILI-UHFFFAOYSA-N -1 3 376.821 3.726 20 0 GHADHM O=S(=O)(NCc1ccc([O-])c(Br)c1)C1=Cc2ccccc2CC1 ZINC000127255526 894486122 /nfs/dbraw/zinc/48/61/22/894486122.db2.gz HSKXVZFLKBRBLX-UHFFFAOYSA-N -1 3 394.290 3.561 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc([O-])cc(Br)c1 ZINC001135400422 894502118 /nfs/dbraw/zinc/50/21/18/894502118.db2.gz SXZOGECPOLMEOJ-UHFFFAOYSA-N -1 3 375.222 3.756 20 0 GHADHM O=c1[n-]c(CN2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)nc2c1COCC2 ZINC000878699141 894520761 /nfs/dbraw/zinc/52/07/61/894520761.db2.gz NSWWSWKELGSLQX-KRWDZBQOSA-N -1 3 399.882 3.512 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000878711882 894528454 /nfs/dbraw/zinc/52/84/54/894528454.db2.gz ULKXRYUDKITSAN-FQEVSTJZSA-N -1 3 377.444 3.796 20 0 GHADHM C[C@@](Cc1ccccc1)(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000878717324 894531448 /nfs/dbraw/zinc/53/14/48/894531448.db2.gz WXWCFXDVUAHTFC-QHCPKHFHSA-N -1 3 375.472 3.503 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)o1 ZINC000878726871 894540981 /nfs/dbraw/zinc/54/09/81/894540981.db2.gz XYJUFJIYFOSFFC-UHFFFAOYSA-N -1 3 389.459 3.773 20 0 GHADHM O=C(CCc1cc(C(F)(F)F)ccc1Br)[N-]OC1CCOCC1 ZINC000816172364 894594145 /nfs/dbraw/zinc/59/41/45/894594145.db2.gz KJVBXNFLGAGPGW-UHFFFAOYSA-N -1 3 396.203 3.627 20 0 GHADHM CCOc1ccc(CCNC(=O)c2cc(SC)ccc2[O-])cc1OCC ZINC001135558338 894792188 /nfs/dbraw/zinc/79/21/88/894792188.db2.gz FTUAXPUXCUHTAP-UHFFFAOYSA-N -1 3 375.490 3.884 20 0 GHADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cccc([O-])c2Cl)cn1 ZINC000816590892 894934749 /nfs/dbraw/zinc/93/47/49/894934749.db2.gz OFGAAGRRMPEVCD-FQEVSTJZSA-N -1 3 385.895 3.998 20 0 GHADHM CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000537456233 895023592 /nfs/dbraw/zinc/02/35/92/895023592.db2.gz STLQQTTYJZHHEK-UONOGXRCSA-N -1 3 385.302 3.548 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000816838571 895097503 /nfs/dbraw/zinc/09/75/03/895097503.db2.gz FOLNYMJCZDBWDN-GOSISDBHSA-N -1 3 379.378 3.997 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(F)c1F ZINC001185532765 913945135 /nfs/dbraw/zinc/94/51/35/913945135.db2.gz QZLOISDPJGQOGX-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM COC(=O)c1ccc(C)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001135745448 895199875 /nfs/dbraw/zinc/19/98/75/895199875.db2.gz VGXHZFJXIRNXPP-UHFFFAOYSA-N -1 3 391.449 3.837 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([O-])ccc3Cl)CC[C@H]21 ZINC000817004119 895256295 /nfs/dbraw/zinc/25/62/95/895256295.db2.gz UBTVRTHFBWJXGI-MLGOLLRUSA-N -1 3 380.872 3.517 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ncccc3C(F)(F)F)CCCC2)n1 ZINC000645534388 913960585 /nfs/dbraw/zinc/96/05/85/913960585.db2.gz HNRNTFVFUZNADW-UHFFFAOYSA-N -1 3 391.440 3.613 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001135842605 895397475 /nfs/dbraw/zinc/39/74/75/895397475.db2.gz WFIRJIMRRXMDIV-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001135842605 895397489 /nfs/dbraw/zinc/39/74/89/895397489.db2.gz WFIRJIMRRXMDIV-UHFFFAOYSA-N -1 3 376.445 3.859 20 0 GHADHM COc1nccc(F)c1C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001185540681 913971019 /nfs/dbraw/zinc/97/10/19/913971019.db2.gz HDPGIZQRLQCZFR-UHFFFAOYSA-N -1 3 379.294 3.738 20 0 GHADHM O=S(=O)([N-]CCc1c(F)cccc1F)c1c(F)cccc1OC(F)(F)F ZINC001185588211 913976692 /nfs/dbraw/zinc/97/66/92/913976692.db2.gz LYJPDLXIBQFWLA-UHFFFAOYSA-N -1 3 399.312 3.524 20 0 GHADHM CC1(C)C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000888806661 895621588 /nfs/dbraw/zinc/62/15/88/895621588.db2.gz GEHSNLFDIGXLRB-LLVKDONJSA-N -1 3 395.322 3.695 20 0 GHADHM O=C([N-]C1CCN(CC(F)F)CC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817527286 895713419 /nfs/dbraw/zinc/71/34/19/895713419.db2.gz LVFQMSVSYFUBBJ-UHFFFAOYSA-N -1 3 387.204 3.931 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c(Cl)c1 ZINC001135957391 895786367 /nfs/dbraw/zinc/78/63/67/895786367.db2.gz FEXMFHIBDKJGBJ-INIZCTEOSA-N -1 3 392.908 3.559 20 0 GHADHM Cc1cc(C(C)(C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC000565744976 895846752 /nfs/dbraw/zinc/84/67/52/895846752.db2.gz BABSHOOVECJTMB-UHFFFAOYSA-N -1 3 391.191 3.811 20 0 GHADHM Cc1cc(C(C)(C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000565744976 895846767 /nfs/dbraw/zinc/84/67/67/895846767.db2.gz BABSHOOVECJTMB-UHFFFAOYSA-N -1 3 391.191 3.811 20 0 GHADHM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc2c(cc1[O-])OCO2 ZINC001136005066 895896206 /nfs/dbraw/zinc/89/62/06/895896206.db2.gz HEXMMUVZQPWYFJ-UHFFFAOYSA-N -1 3 381.359 3.982 20 0 GHADHM O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc(Br)cc(F)c1[O-] ZINC001136029494 895921071 /nfs/dbraw/zinc/92/10/71/895921071.db2.gz ZAXFUOKKOWEKQQ-UHFFFAOYSA-N -1 3 394.196 3.640 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000565886184 895957551 /nfs/dbraw/zinc/95/75/51/895957551.db2.gz LHZKDJFBFWWISH-OAHLLOKOSA-N -1 3 383.448 3.593 20 0 GHADHM COc1ccc(COC(=O)CC2CCC(C(F)(F)F)CC2)cc1-c1nnn[n-]1 ZINC000826205409 896258724 /nfs/dbraw/zinc/25/87/24/896258724.db2.gz VRKVXRJERIEIRC-UHFFFAOYSA-N -1 3 398.385 3.677 20 0 GHADHM COc1ccc(COC(=O)CC2CCC(C(F)(F)F)CC2)cc1-c1nn[n-]n1 ZINC000826205409 896258731 /nfs/dbraw/zinc/25/87/31/896258731.db2.gz VRKVXRJERIEIRC-UHFFFAOYSA-N -1 3 398.385 3.677 20 0 GHADHM CC(C)(C)OCCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000566368027 896259957 /nfs/dbraw/zinc/25/99/57/896259957.db2.gz JODVDNCHWDHIDO-INIZCTEOSA-N -1 3 384.314 3.856 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000881440514 896332528 /nfs/dbraw/zinc/33/25/28/896332528.db2.gz DPPWHHBZMXNATP-NRFANRHFSA-N -1 3 392.496 3.501 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826220380 896397025 /nfs/dbraw/zinc/39/70/25/896397025.db2.gz LZMANVUAAOOIEE-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM COc1ccccc1NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826220380 896397046 /nfs/dbraw/zinc/39/70/46/896397046.db2.gz LZMANVUAAOOIEE-JTQLQIEISA-N -1 3 389.868 3.648 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)CC(F)F ZINC000645795962 914070243 /nfs/dbraw/zinc/07/02/43/914070243.db2.gz ADPHBRZIFAMSNG-SSDOTTSWSA-N -1 3 376.650 3.672 20 0 GHADHM CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)nc1C ZINC000881712985 896491590 /nfs/dbraw/zinc/49/15/90/896491590.db2.gz XJKORJVWOIFRLJ-LLVKDONJSA-N -1 3 394.880 3.617 20 0 GHADHM CSc1ccccc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826231563 896586447 /nfs/dbraw/zinc/58/64/47/896586447.db2.gz PVBTUCARPWKLHI-UHFFFAOYSA-N -1 3 377.477 3.601 20 0 GHADHM CSc1ccccc1NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826231563 896586460 /nfs/dbraw/zinc/58/64/60/896586460.db2.gz PVBTUCARPWKLHI-UHFFFAOYSA-N -1 3 377.477 3.601 20 0 GHADHM Cc1c(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cccc1N(C)C ZINC000826242533 896596338 /nfs/dbraw/zinc/59/63/38/896596338.db2.gz SYACRLGESXWDKM-UHFFFAOYSA-N -1 3 391.262 3.800 20 0 GHADHM Cc1c(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cccc1N(C)C ZINC000826242533 896596347 /nfs/dbraw/zinc/59/63/47/896596347.db2.gz SYACRLGESXWDKM-UHFFFAOYSA-N -1 3 391.262 3.800 20 0 GHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Br)cnc1Cl ZINC001185795921 914089781 /nfs/dbraw/zinc/08/97/81/914089781.db2.gz AFEFIKOMXZUCLQ-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM CCOC(=O)c1sc(SCc2nnc(-c3ccccc3[O-])o2)nc1C ZINC000882173643 896689331 /nfs/dbraw/zinc/68/93/31/896689331.db2.gz BBTFQTDNWMZANO-UHFFFAOYSA-N -1 3 377.447 3.676 20 0 GHADHM O=c1[n-]c(SC[C@H]2CCC3(CCC3)O2)nc2c1cnn2Cc1ccccc1 ZINC000882238110 896716327 /nfs/dbraw/zinc/71/63/27/896716327.db2.gz SKONVAYHSPKRPU-OAHLLOKOSA-N -1 3 382.489 3.774 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(Cc2ccccc2)s1 ZINC000826254251 896741939 /nfs/dbraw/zinc/74/19/39/896741939.db2.gz BLGSPCIMBQNIOE-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(Cc2ccccc2)s1 ZINC000826254251 896741950 /nfs/dbraw/zinc/74/19/50/896741950.db2.gz BLGSPCIMBQNIOE-UHFFFAOYSA-N -1 3 391.456 3.579 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826257111 896745384 /nfs/dbraw/zinc/74/53/84/896745384.db2.gz OBAQTPBUUSXPOT-GFCCVEGCSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1cc(C(=O)CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826257111 896745391 /nfs/dbraw/zinc/74/53/91/896745391.db2.gz OBAQTPBUUSXPOT-GFCCVEGCSA-N -1 3 384.461 3.812 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000129640535 896782842 /nfs/dbraw/zinc/78/28/42/896782842.db2.gz JGWPZFNLCFYZRD-UHFFFAOYSA-N -1 3 394.246 3.665 20 0 GHADHM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(S[C@@H](C)[C@@H](C)O)n2)o1 ZINC000826272979 896834697 /nfs/dbraw/zinc/83/46/97/896834697.db2.gz KCHUTCKJMPRPHL-BDAKNGLRSA-N -1 3 399.398 3.710 20 0 GHADHM COc1ccc(NCCCc2c(F)cccc2Cl)cc1[N-]S(C)(=O)=O ZINC000774934522 914104602 /nfs/dbraw/zinc/10/46/02/914104602.db2.gz KOZMQRUXNASRME-UHFFFAOYSA-N -1 3 386.876 3.904 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(Sc2ccccc2)c1 ZINC000826282302 896868019 /nfs/dbraw/zinc/86/80/19/896868019.db2.gz HTQOJNDARWXTHW-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(Sc2ccccc2)c1 ZINC000826282302 896868039 /nfs/dbraw/zinc/86/80/39/896868039.db2.gz HTQOJNDARWXTHW-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001137178585 896871538 /nfs/dbraw/zinc/87/15/38/896871538.db2.gz IXJJDADNOUICLJ-UHFFFAOYSA-N -1 3 397.243 3.879 20 0 GHADHM O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(O)cc1[O-] ZINC001136249554 896887100 /nfs/dbraw/zinc/88/71/00/896887100.db2.gz WGEXOLODTVMDHR-IBGZPJMESA-N -1 3 394.496 3.689 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000819766343 896952813 /nfs/dbraw/zinc/95/28/13/896952813.db2.gz XEOKMFCVGFIBCD-HJWRWDBZSA-N -1 3 377.376 3.572 20 0 GHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000819766343 896952815 /nfs/dbraw/zinc/95/28/15/896952815.db2.gz XEOKMFCVGFIBCD-HJWRWDBZSA-N -1 3 377.376 3.572 20 0 GHADHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001136296287 897135991 /nfs/dbraw/zinc/13/59/91/897135991.db2.gz BTQXZHZJEVYKNV-UHFFFAOYSA-N -1 3 391.265 3.935 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCc2ccccc2N2CCCCC2)c1 ZINC000820415636 897335411 /nfs/dbraw/zinc/33/54/11/897335411.db2.gz BPKLBMZQQBGGKW-MHZLTWQESA-N -1 3 387.501 3.537 20 0 GHADHM O=C1[N-]C(=O)/C(=C/N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc21 ZINC000131256872 897387801 /nfs/dbraw/zinc/38/78/01/897387801.db2.gz YAYIEFVWTQHCCP-AAGJOFLKSA-N -1 3 378.325 3.720 20 0 GHADHM COc1ccccc1CNC(=O)NN=c1[n-]c(Cl)c(Cl)cc1Cl ZINC000042297329 897413714 /nfs/dbraw/zinc/41/37/14/897413714.db2.gz LMLJXOZIGWBULC-UHFFFAOYSA-N -1 3 375.643 3.877 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC[C@H](F)C1 ZINC000568138522 897627179 /nfs/dbraw/zinc/62/71/79/897627179.db2.gz QOCRIGBHAPIHRO-AWEZNQCLSA-N -1 3 394.443 3.509 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])NC1(C(F)(F)F)CC1 ZINC001185939982 914182930 /nfs/dbraw/zinc/18/29/30/914182930.db2.gz JQXUHBMSOUIDNA-UHFFFAOYSA-N -1 3 386.414 3.674 20 0 GHADHM CC(=O)c1cccc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c1[O-] ZINC000568328784 897744291 /nfs/dbraw/zinc/74/42/91/897744291.db2.gz NOGWODVCPXNJGY-UHFFFAOYSA-N -1 3 396.472 3.523 20 0 GHADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCSc1ccc(Cl)cc1 ZINC000826334721 897744841 /nfs/dbraw/zinc/74/48/41/897744841.db2.gz GYXBETLGNSVMIM-UHFFFAOYSA-N -1 3 397.895 3.879 20 0 GHADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCSc1ccc(Cl)cc1 ZINC000826334721 897744852 /nfs/dbraw/zinc/74/48/52/897744852.db2.gz GYXBETLGNSVMIM-UHFFFAOYSA-N -1 3 397.895 3.879 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1ccc(-n2cccn2)cc1Cl ZINC001185950853 914190387 /nfs/dbraw/zinc/19/03/87/914190387.db2.gz DVRZVKZITNBVFF-UHFFFAOYSA-N -1 3 393.628 3.641 20 0 GHADHM Clc1ccccc1CCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353621 898032924 /nfs/dbraw/zinc/03/29/24/898032924.db2.gz XFEYSQXEFDLMBY-IBGZPJMESA-N -1 3 383.883 3.526 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H](C)C2CC2)cc1 ZINC000821702173 898036094 /nfs/dbraw/zinc/03/60/94/898036094.db2.gz KIVGOVJMEMCCCL-LBPRGKRZSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H](C)C2CC2)cc1 ZINC000821702173 898036106 /nfs/dbraw/zinc/03/61/06/898036106.db2.gz KIVGOVJMEMCCCL-LBPRGKRZSA-N -1 3 379.420 3.652 20 0 GHADHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2Cl)ccc1OC(F)F ZINC000821717552 898060308 /nfs/dbraw/zinc/06/03/08/898060308.db2.gz QGGHIOKDJZYHJU-UHFFFAOYSA-N -1 3 381.770 3.742 20 0 GHADHM [O-]c1ccc(F)c(CNc2nc3ccccc3n2CCc2ccccn2)c1F ZINC000568821535 898134211 /nfs/dbraw/zinc/13/42/11/898134211.db2.gz AOXMOFQJQHBKIF-UHFFFAOYSA-N -1 3 380.398 3.692 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000029102422 898142609 /nfs/dbraw/zinc/14/26/09/898142609.db2.gz FRLGWTMNUKQRES-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000029102422 898142614 /nfs/dbraw/zinc/14/26/14/898142614.db2.gz FRLGWTMNUKQRES-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1ccc(C)c([C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)[C@@H](C)CO2)c1 ZINC000822232172 898261984 /nfs/dbraw/zinc/26/19/84/898261984.db2.gz VSYXPDWHFCHNAC-YWZLYKJASA-N -1 3 381.455 3.585 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(Br)s1 ZINC000883959011 898266641 /nfs/dbraw/zinc/26/66/41/898266641.db2.gz PCRYFMKNOTZJKH-UHFFFAOYSA-N -1 3 384.299 3.710 20 0 GHADHM CCCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)o1 ZINC000569069359 898319579 /nfs/dbraw/zinc/31/95/79/898319579.db2.gz PQULBHDSSRRQSG-UHFFFAOYSA-N -1 3 390.241 3.735 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3C[C@H]3C)ccc2C)cc1 ZINC000569160113 898379296 /nfs/dbraw/zinc/37/92/96/898379296.db2.gz AKGXLNBQQNCSLZ-HUUCEWRRSA-N -1 3 388.489 3.789 20 0 GHADHM CCS(=O)(=O)[N-]c1cc(Br)ccc1NC(=O)OC(C)(C)C ZINC001253373805 898409480 /nfs/dbraw/zinc/40/94/80/898409480.db2.gz ORTQLXULYLOHDS-UHFFFAOYSA-N -1 3 379.276 3.558 20 0 GHADHM Fc1ccc(-n2cc(CSc3ccc(-c4nnn[n-]4)cc3)nn2)cc1Cl ZINC000826373758 898498429 /nfs/dbraw/zinc/49/84/29/898498429.db2.gz YOGRYNHKHMXBGQ-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM Fc1ccc(-n2cc(CSc3ccc(-c4nn[n-]n4)cc3)nn2)cc1Cl ZINC000826373758 898498434 /nfs/dbraw/zinc/49/84/34/898498434.db2.gz YOGRYNHKHMXBGQ-UHFFFAOYSA-N -1 3 387.831 3.532 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000569284887 898505802 /nfs/dbraw/zinc/50/58/02/898505802.db2.gz SIOYZSKMCYVZME-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC001186025747 914260071 /nfs/dbraw/zinc/26/00/71/914260071.db2.gz CFDNWPSAEAOJFY-AWEZNQCLSA-N -1 3 389.786 3.798 20 0 GHADHM O=C([N-][C@@H]1CCOc2c(Br)cccc21)C(F)(F)c1nccs1 ZINC000800078876 898566781 /nfs/dbraw/zinc/56/67/81/898566781.db2.gz INDBDLYETNFBPA-SNVBAGLBSA-N -1 3 389.221 3.637 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000826375425 898642979 /nfs/dbraw/zinc/64/29/79/898642979.db2.gz NEJICWLOTJMXNK-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM Fc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000826375425 898642985 /nfs/dbraw/zinc/64/29/85/898642985.db2.gz NEJICWLOTJMXNK-UHFFFAOYSA-N -1 3 393.245 3.577 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CC23CCSCC3)[nH][n-]1 ZINC000569425735 898646908 /nfs/dbraw/zinc/64/69/08/898646908.db2.gz VRMRHIWZOMTYEP-CYBMUJFWSA-N -1 3 377.897 3.632 20 0 GHADHM Cc1cc(COC(=O)c2cccc3nn[n-]c32)nc(-c2ccc(Cl)cc2)n1 ZINC000800205869 898740152 /nfs/dbraw/zinc/74/01/52/898740152.db2.gz QTHUDDVEPWZPLJ-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM Cc1cc(COC(=O)c2cccc3[n-]nnc32)nc(-c2ccc(Cl)cc2)n1 ZINC000800205869 898740160 /nfs/dbraw/zinc/74/01/60/898740160.db2.gz QTHUDDVEPWZPLJ-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM Cc1cc(COC(=O)c2cccc3n[n-]nc32)nc(-c2ccc(Cl)cc2)n1 ZINC000800205869 898740169 /nfs/dbraw/zinc/74/01/69/898740169.db2.gz QTHUDDVEPWZPLJ-UHFFFAOYSA-N -1 3 379.807 3.734 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000112335367 898870101 /nfs/dbraw/zinc/87/01/01/898870101.db2.gz UIZAHLZPUUAASV-UHFFFAOYSA-N -1 3 380.366 3.715 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350147 898977980 /nfs/dbraw/zinc/97/79/80/898977980.db2.gz AQSPSPAJZKXSIE-UHFFFAOYSA-N -1 3 390.472 3.835 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823350147 898977985 /nfs/dbraw/zinc/97/79/85/898977985.db2.gz AQSPSPAJZKXSIE-UHFFFAOYSA-N -1 3 390.472 3.835 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(-c2ccncc2)no1 ZINC000331569381 898991579 /nfs/dbraw/zinc/99/15/79/898991579.db2.gz HDCHWICUNTVEOC-MRXNPFEDSA-N -1 3 392.525 3.719 20 0 GHADHM O=C(O[C@H]1CCCCC1=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823393595 899007631 /nfs/dbraw/zinc/00/76/31/899007631.db2.gz ZYQFYHZPDVPBJJ-KRWDZBQOSA-N -1 3 394.456 3.686 20 0 GHADHM O=C(O[C@H]1CCCCC1=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823393595 899007645 /nfs/dbraw/zinc/00/76/45/899007645.db2.gz ZYQFYHZPDVPBJJ-KRWDZBQOSA-N -1 3 394.456 3.686 20 0 GHADHM Brc1ccc(N2CCCc3sccc3C2)c(-c2nnn[n-]2)c1 ZINC000823826041 899258991 /nfs/dbraw/zinc/25/89/91/899258991.db2.gz AVQBPVOCARQTMB-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM Brc1ccc(N2CCCc3sccc3C2)c(-c2nn[n-]n2)c1 ZINC000823826041 899259001 /nfs/dbraw/zinc/25/90/01/899259001.db2.gz AVQBPVOCARQTMB-UHFFFAOYSA-N -1 3 376.283 3.644 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C(C)C)C3(CO)CC=CC3)cc2)cc(=O)[n-]1 ZINC000646229449 914335164 /nfs/dbraw/zinc/33/51/64/914335164.db2.gz AVZYTTOHBURZQR-FQEVSTJZSA-N -1 3 396.491 3.632 20 0 GHADHM CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000824024326 899371473 /nfs/dbraw/zinc/37/14/73/899371473.db2.gz ACYAWXOMNKZRSO-UHFFFAOYSA-N -1 3 399.838 3.519 20 0 GHADHM CC(C)N(C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000824285109 899484778 /nfs/dbraw/zinc/48/47/78/899484778.db2.gz XVOWHNIWAOLIBR-UHFFFAOYSA-N -1 3 387.431 3.623 20 0 GHADHM CC(C)N(C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000824285109 899484785 /nfs/dbraw/zinc/48/47/85/899484785.db2.gz XVOWHNIWAOLIBR-UHFFFAOYSA-N -1 3 387.431 3.623 20 0 GHADHM Cc1csc([C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C2CC2)n1 ZINC000119255127 899571482 /nfs/dbraw/zinc/57/14/82/899571482.db2.gz IUQIXOUJPOBBQU-CQSZACIVSA-N -1 3 396.310 3.870 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3(C)CC3)ccc2C)cc1 ZINC000570810471 899606973 /nfs/dbraw/zinc/60/69/73/899606973.db2.gz POBKRTKABUBVBH-UHFFFAOYSA-N -1 3 388.489 3.933 20 0 GHADHM C[C@@H](NC(=O)CCn1cccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824479103 899624285 /nfs/dbraw/zinc/62/42/85/899624285.db2.gz LGYMMBKCZGJOHE-MRXNPFEDSA-N -1 3 386.459 3.603 20 0 GHADHM C[C@@H](NC(=O)CCn1cccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824479103 899624292 /nfs/dbraw/zinc/62/42/92/899624292.db2.gz LGYMMBKCZGJOHE-MRXNPFEDSA-N -1 3 386.459 3.603 20 0 GHADHM C[C@H](NCC(=O)OC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824564573 899688754 /nfs/dbraw/zinc/68/87/54/899688754.db2.gz VUCBCGOGSGGWCP-AWEZNQCLSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@H](NCC(=O)OC(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824564573 899688759 /nfs/dbraw/zinc/68/87/59/899688759.db2.gz VUCBCGOGSGGWCP-AWEZNQCLSA-N -1 3 379.464 3.526 20 0 GHADHM C[C@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824539595 899700236 /nfs/dbraw/zinc/70/02/36/899700236.db2.gz OMFDZSNRVRXPOY-UGSOOPFHSA-N -1 3 393.882 3.694 20 0 GHADHM C[C@H](N[C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539595 899700247 /nfs/dbraw/zinc/70/02/47/899700247.db2.gz OMFDZSNRVRXPOY-UGSOOPFHSA-N -1 3 393.882 3.694 20 0 GHADHM Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)cc1F ZINC000332559094 899763492 /nfs/dbraw/zinc/76/34/92/899763492.db2.gz VFUMZRBGJLZUON-UHFFFAOYSA-N -1 3 390.842 3.528 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCO1 ZINC000824864800 899843648 /nfs/dbraw/zinc/84/36/48/899843648.db2.gz FVQMFMXQBOBUSJ-STQMWFEESA-N -1 3 397.410 3.552 20 0 GHADHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCO1 ZINC000824864800 899843654 /nfs/dbraw/zinc/84/36/54/899843654.db2.gz FVQMFMXQBOBUSJ-STQMWFEESA-N -1 3 397.410 3.552 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000333013311 899891456 /nfs/dbraw/zinc/89/14/56/899891456.db2.gz BPBROIHJVLCCLB-FGTMMUONSA-N -1 3 384.520 3.720 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000333013313 899891930 /nfs/dbraw/zinc/89/19/30/899891930.db2.gz BPBROIHJVLCCLB-OKZBNKHCSA-N -1 3 384.520 3.720 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824937940 899898526 /nfs/dbraw/zinc/89/85/26/899898526.db2.gz SEWCDCVARVIBJJ-HZMBPMFUSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824937940 899898534 /nfs/dbraw/zinc/89/85/34/899898534.db2.gz SEWCDCVARVIBJJ-HZMBPMFUSA-N -1 3 399.442 3.673 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000824976035 899923976 /nfs/dbraw/zinc/92/39/76/899923976.db2.gz LXUQETAZTZAHBW-XJKSGUPXSA-N -1 3 381.867 3.786 20 0 GHADHM C[C@H]1CN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000824976035 899923979 /nfs/dbraw/zinc/92/39/79/899923979.db2.gz LXUQETAZTZAHBW-XJKSGUPXSA-N -1 3 381.867 3.786 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825012599 899935976 /nfs/dbraw/zinc/93/59/76/899935976.db2.gz KAQYSMQRUJDAMO-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825012599 899935983 /nfs/dbraw/zinc/93/59/83/899935983.db2.gz KAQYSMQRUJDAMO-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM Cc1csc(SCc2ccccc2C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)n1 ZINC000825035489 899946815 /nfs/dbraw/zinc/94/68/15/899946815.db2.gz YICFOUAFTATGKO-UHFFFAOYSA-N -1 3 398.513 3.704 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000825053055 899955027 /nfs/dbraw/zinc/95/50/27/899955027.db2.gz ZPFPNPIBBIDGTG-NSHDSACASA-N -1 3 399.886 3.820 20 0 GHADHM CC[C@H](C)C(=O)Nc1cccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000825053055 899955031 /nfs/dbraw/zinc/95/50/31/899955031.db2.gz ZPFPNPIBBIDGTG-NSHDSACASA-N -1 3 399.886 3.820 20 0 GHADHM CC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825066221 899960295 /nfs/dbraw/zinc/96/02/95/899960295.db2.gz AFLQNEMOQXFPLQ-GJZGRUSLSA-N -1 3 399.520 3.560 20 0 GHADHM CC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825066221 899960299 /nfs/dbraw/zinc/96/02/99/899960299.db2.gz AFLQNEMOQXFPLQ-GJZGRUSLSA-N -1 3 399.520 3.560 20 0 GHADHM CC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825066225 899960469 /nfs/dbraw/zinc/96/04/69/899960469.db2.gz AFLQNEMOQXFPLQ-LSDHHAIUSA-N -1 3 399.520 3.560 20 0 GHADHM CC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825066225 899960476 /nfs/dbraw/zinc/96/04/76/899960476.db2.gz AFLQNEMOQXFPLQ-LSDHHAIUSA-N -1 3 399.520 3.560 20 0 GHADHM CCc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c([O-])c1 ZINC001137004206 900028333 /nfs/dbraw/zinc/02/83/33/900028333.db2.gz RMJNPQMXXSRHOP-UHFFFAOYSA-N -1 3 383.839 3.713 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825255073 900053177 /nfs/dbraw/zinc/05/31/77/900053177.db2.gz XEJGPQOFHLDXKA-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825255073 900053184 /nfs/dbraw/zinc/05/31/84/900053184.db2.gz XEJGPQOFHLDXKA-UHFFFAOYSA-N -1 3 388.522 3.561 20 0 GHADHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000572094010 900069451 /nfs/dbraw/zinc/06/94/51/900069451.db2.gz WJOXWJXFGBEARS-SECBINFHSA-N -1 3 383.388 3.695 20 0 GHADHM C[C@H]1COCCN1C1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000646317458 914407889 /nfs/dbraw/zinc/40/78/89/914407889.db2.gz SHIVBKFIPATZIY-AWEZNQCLSA-N -1 3 388.895 3.524 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385436 900116879 /nfs/dbraw/zinc/11/68/79/900116879.db2.gz FTGUNFSLSKLZJL-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385436 900116884 /nfs/dbraw/zinc/11/68/84/900116884.db2.gz FTGUNFSLSKLZJL-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)CCc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371124 900130200 /nfs/dbraw/zinc/13/02/00/900130200.db2.gz BXNGKHBDYCOMHE-UHFFFAOYSA-N -1 3 394.866 3.987 20 0 GHADHM CCN(C(=O)CCc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371124 900130209 /nfs/dbraw/zinc/13/02/09/900130209.db2.gz BXNGKHBDYCOMHE-UHFFFAOYSA-N -1 3 394.866 3.987 20 0 GHADHM CCCN(C(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21)C(C)C ZINC000135062122 900171978 /nfs/dbraw/zinc/17/19/78/900171978.db2.gz BOYKAVJKFVIXAE-XMHGGMMESA-N -1 3 391.471 3.670 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)OCc1nnc(-c3ccccc3[O-])o1)CCC2 ZINC000884572063 900178143 /nfs/dbraw/zinc/17/81/43/900178143.db2.gz FGGMVNMCBVCHJU-OAHLLOKOSA-N -1 3 380.400 3.614 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C1CCCCC1 ZINC001143631103 900250888 /nfs/dbraw/zinc/25/08/88/900250888.db2.gz VSWPYEQZFWIZRZ-FQEVSTJZSA-N -1 3 375.476 3.847 20 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GHADHM CCCC(=O)Nc1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1C ZINC000263928423 902690254 /nfs/dbraw/zinc/69/02/54/902690254.db2.gz BRIYRPNVKQCWCX-UHFFFAOYSA-N -1 3 397.475 3.506 20 0 GHADHM Cc1nc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC001186608253 914655802 /nfs/dbraw/zinc/65/58/02/914655802.db2.gz YUJTXUNEJABMCG-UHFFFAOYSA-N -1 3 375.837 3.612 20 0 GHADHM COc1cc(C)c(CN(C)CCOc2ccc(/C=C/C(=O)[O-])cc2)cc1OC ZINC000846232977 902808040 /nfs/dbraw/zinc/80/80/40/902808040.db2.gz YNTRDGVYBSKQLY-JXMROGBWSA-N -1 3 385.460 3.621 20 0 GHADHM CC(C)c1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000779016663 902873712 /nfs/dbraw/zinc/87/37/12/902873712.db2.gz FOYPPZLXNSXRJU-GOEBONIOSA-N -1 3 376.497 3.891 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846576173 903060646 /nfs/dbraw/zinc/06/06/46/903060646.db2.gz UWABYJNLQSWEOQ-INIZCTEOSA-N -1 3 397.219 3.552 20 0 GHADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000846705336 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CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000773232043 904597883 /nfs/dbraw/zinc/59/78/83/904597883.db2.gz JYVIPWGRWQMUBO-UHFFFAOYSA-N -1 3 392.477 3.867 20 0 GHADHM COc1cc(Br)cc2sc([N-]C(=O)c3nnc(C4CC4)o3)nc21 ZINC000889654098 904698737 /nfs/dbraw/zinc/69/87/37/904698737.db2.gz XSPSGZGMYGLSGG-UHFFFAOYSA-N -1 3 395.238 3.580 20 0 GHADHM CCCN(Cc1ccc(OC)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001171489747 904734032 /nfs/dbraw/zinc/73/40/32/904734032.db2.gz MLYDTFWTRQGKMM-UHFFFAOYSA-N -1 3 386.398 3.867 20 0 GHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2C)c1 ZINC001186900751 914844253 /nfs/dbraw/zinc/84/42/53/914844253.db2.gz ILCQGCSVJMVQHZ-SFHVURJKSA-N -1 3 393.480 3.986 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646784742 914847873 /nfs/dbraw/zinc/84/78/73/914847873.db2.gz CPWKLNULFZACKP-OLZOCXBDSA-N -1 3 386.414 3.568 20 0 GHADHM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290870941 914850856 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3.772 20 0 GHADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000174971425 905406099 /nfs/dbraw/zinc/40/60/99/905406099.db2.gz OHOKXTDZIGIQGT-UHFFFAOYSA-N -1 3 381.885 3.741 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000175250695 905492249 /nfs/dbraw/zinc/49/22/49/905492249.db2.gz MEZBMPQYECIXIV-MVVMVCHASA-N -1 3 376.884 3.659 20 0 GHADHM CSc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000175766674 905662107 /nfs/dbraw/zinc/66/21/07/905662107.db2.gz OLKNIGSTQHWBDP-UHFFFAOYSA-N -1 3 394.880 3.851 20 0 GHADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000176095587 905752499 /nfs/dbraw/zinc/75/24/99/905752499.db2.gz MVVFDCVZBCAHSC-UHFFFAOYSA-N -1 3 390.871 3.630 20 0 GHADHM CCOc1cc(-c2noc(-c3cncc([O-])c3)n2)cc(Br)c1OC ZINC001212708450 906234600 /nfs/dbraw/zinc/23/46/00/906234600.db2.gz ISFSFABDBARTLQ-UHFFFAOYSA-N -1 3 392.209 3.674 20 0 GHADHM Cn1cccc1[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178270446 906319492 /nfs/dbraw/zinc/31/94/92/906319492.db2.gz RMVONIWQIMXVPY-OAHLLOKOSA-N -1 3 378.270 3.540 20 0 GHADHM CC(=O)CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000178722962 906376139 /nfs/dbraw/zinc/37/61/39/906376139.db2.gz VPTSZIBLSLNVFP-UHFFFAOYSA-N -1 3 392.452 3.633 20 0 GHADHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1nc2ccccc2n1C(F)F ZINC000629216815 906597993 /nfs/dbraw/zinc/59/79/93/906597993.db2.gz MANNZEKANMMFIH-QMMMGPOBSA-N -1 3 376.392 3.667 20 0 GHADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)cc21 ZINC000191229888 906767634 /nfs/dbraw/zinc/76/76/34/906767634.db2.gz IHVQCDYJTMHQCV-UHFFFAOYSA-N -1 3 391.663 3.972 20 0 GHADHM O=C(NC1CCCCC1)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191272453 906823742 /nfs/dbraw/zinc/82/37/42/906823742.db2.gz AEHRSEBJQOTPDO-UHFFFAOYSA-N -1 3 383.895 3.781 20 0 GHADHM [O-]c1cccc(Nc2ccc(OCCN3CCOCC3)cc2)c1Br ZINC001174433595 907024970 /nfs/dbraw/zinc/02/49/70/907024970.db2.gz IMTLKFHOBZNVIE-UHFFFAOYSA-N -1 3 393.281 3.609 20 0 GHADHM C[C@H](CN(C)C(=O)NCc1ccc([O-])c(Br)c1)c1nccs1 ZINC000182010862 907114317 /nfs/dbraw/zinc/11/43/17/907114317.db2.gz XLNOXWJUXJDVEZ-SNVBAGLBSA-N -1 3 384.299 3.556 20 0 GHADHM CSCCCCCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000182905602 907288383 /nfs/dbraw/zinc/28/83/83/907288383.db2.gz GPHXEURLIGFUHY-UHFFFAOYSA-N -1 3 396.937 3.639 20 0 GHADHM CCOc1ccc(F)c(Nc2nc[n-]c(=O)c2CC(OCC)OCC)c1F ZINC001175037337 907348336 /nfs/dbraw/zinc/34/83/36/907348336.db2.gz OUZLFYCGXXZYOF-UHFFFAOYSA-N -1 3 383.395 3.544 20 0 GHADHM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)nc1Cl ZINC000183844001 907465961 /nfs/dbraw/zinc/46/59/61/907465961.db2.gz RGHXXAPQLHLDGA-STQMWFEESA-N -1 3 387.288 3.587 20 0 GHADHM CC(C)(C)OC(=O)NCCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430278 907550811 /nfs/dbraw/zinc/55/08/11/907550811.db2.gz NVRJOJXDPHTQHS-UHFFFAOYSA-N -1 3 380.452 3.678 20 0 GHADHM O=S(=O)([O-])c1ccc(Cl)c(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506625 907594540 /nfs/dbraw/zinc/59/45/40/907594540.db2.gz JVTAHYKTDOGVMG-UHFFFAOYSA-N -1 3 378.881 3.788 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C3CCC3)[C@@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000631513532 907739197 /nfs/dbraw/zinc/73/91/97/907739197.db2.gz UBYWGHOXAVPDSH-ICSRJNTNSA-N -1 3 382.464 3.627 20 0 GHADHM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cscc1Br ZINC000631981154 907887809 /nfs/dbraw/zinc/88/78/09/907887809.db2.gz MPDHKCWMBNJRPJ-UHFFFAOYSA-N -1 3 393.353 3.715 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000632130395 907950694 /nfs/dbraw/zinc/95/06/94/907950694.db2.gz JAWLAMNAUDZGCU-GFCCVEGCSA-N -1 3 380.413 3.543 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1Cc2cccc(Cl)c2C1 ZINC000366221035 921389549 /nfs/dbraw/zinc/38/95/49/921389549.db2.gz VLCDQPRDCMHRKF-UHFFFAOYSA-N -1 3 394.862 3.681 20 0 GHADHM O=C([O-])C[C@H](c1ccccc1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000901602174 921389801 /nfs/dbraw/zinc/38/98/01/921389801.db2.gz IITUMMICWWXLAK-HXUWFJFHSA-N -1 3 381.472 3.928 20 0 GHADHM O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ncc([O-])cc1Br ZINC001176850114 908294035 /nfs/dbraw/zinc/29/40/35/908294035.db2.gz DKXHAEIMWDIZBB-UHFFFAOYSA-N -1 3 390.159 3.535 20 0 GHADHM CCCOc1cccnc1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633731292 908453854 /nfs/dbraw/zinc/45/38/54/908453854.db2.gz LWBCSVKQRDOIDY-UHFFFAOYSA-N -1 3 382.314 3.628 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)[n-]n1 ZINC001177687499 908710174 /nfs/dbraw/zinc/71/01/74/908710174.db2.gz LOZRVQIODDJNIT-GFCCVEGCSA-N -1 3 397.456 3.621 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)n[n-]1 ZINC001177687499 908710181 /nfs/dbraw/zinc/71/01/81/908710181.db2.gz LOZRVQIODDJNIT-GFCCVEGCSA-N -1 3 397.456 3.621 20 0 GHADHM CC(C)(C)n1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(Br)n1 ZINC000779803231 908750800 /nfs/dbraw/zinc/75/08/00/908750800.db2.gz NDZVYIWGLUSVSS-UHFFFAOYSA-N -1 3 398.208 3.523 20 0 GHADHM COc1cc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)ccc1OCc1ccncc1 ZINC000192726177 908817695 /nfs/dbraw/zinc/81/76/95/908817695.db2.gz HEAGXSWKGMOQCK-JKSUJKDBSA-N -1 3 394.475 3.885 20 0 GHADHM COC1(CS(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)CCC1 ZINC000634788352 908826365 /nfs/dbraw/zinc/82/63/65/908826365.db2.gz OYHAFPFARKLEFP-UHFFFAOYSA-N -1 3 399.563 3.617 20 0 GHADHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nc(C)ns3)s2)cc1OC ZINC000266433950 909155372 /nfs/dbraw/zinc/15/53/72/909155372.db2.gz RTMFCPZTCCVVNG-UHFFFAOYSA-N -1 3 376.463 3.548 20 0 GHADHM O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccc(Br)cc1[O-] ZINC000635276816 909200944 /nfs/dbraw/zinc/20/09/44/909200944.db2.gz GNDZGPOEANRPRK-UHFFFAOYSA-N -1 3 386.196 3.805 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@]1(C)CC(C)(C)CN1C(=O)OC(C)(C)C ZINC001178904091 909305129 /nfs/dbraw/zinc/30/51/29/909305129.db2.gz MRQDFOMBTOCYJZ-NRFANRHFSA-N -1 3 390.480 3.959 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183050 909399119 /nfs/dbraw/zinc/39/91/19/909399119.db2.gz OYUIPKYSNKDYKW-RQJHMYQMSA-N -1 3 397.184 3.775 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000636109709 909430730 /nfs/dbraw/zinc/43/07/30/909430730.db2.gz GIZRUJRRLVJADX-UHFFFAOYSA-N -1 3 384.661 3.572 20 0 GHADHM Cc1ccc(OCCCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c(Cl)c1 ZINC000636320784 909542116 /nfs/dbraw/zinc/54/21/16/909542116.db2.gz TVNVEHFONXOFAE-UHFFFAOYSA-N -1 3 389.883 3.887 20 0 GHADHM CC(C)c1nn(-c2ccccc2)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323421 909543417 /nfs/dbraw/zinc/54/34/17/909543417.db2.gz YNEAAOHXTRYWSQ-UHFFFAOYSA-N -1 3 391.475 3.689 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001179645941 909615235 /nfs/dbraw/zinc/61/52/35/909615235.db2.gz KLGSNCVNOGTVQO-KRWDZBQOSA-N -1 3 399.285 3.883 20 0 GHADHM CCOC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000636694545 909621891 /nfs/dbraw/zinc/62/18/91/909621891.db2.gz NRHSSEYCDDUWNC-UHFFFAOYSA-N -1 3 390.505 3.858 20 0 GHADHM CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001179635100 909635031 /nfs/dbraw/zinc/63/50/31/909635031.db2.gz GYWHUBLWCILQQI-CYBMUJFWSA-N -1 3 390.505 3.984 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000637376527 909797534 /nfs/dbraw/zinc/79/75/34/909797534.db2.gz PHHXFFQJNBDIOA-JIMOISOXSA-N -1 3 390.192 3.699 20 0 GHADHM O=C(C=Cc1cccc(OC(F)(F)F)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001179945810 909821092 /nfs/dbraw/zinc/82/10/92/909821092.db2.gz FNLWJWLBZYOMRT-BQYQJAHWSA-N -1 3 391.305 3.592 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000268302060 909826891 /nfs/dbraw/zinc/82/68/91/909826891.db2.gz VASFKDHJTHQYKP-CABCVRRESA-N -1 3 399.491 3.706 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954550 909863997 /nfs/dbraw/zinc/86/39/97/909863997.db2.gz LZKINTSAFHGVFL-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954550 909864008 /nfs/dbraw/zinc/86/40/08/909864008.db2.gz LZKINTSAFHGVFL-UHFFFAOYSA-N -1 3 386.411 3.876 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1SCCc2sccc21 ZINC001179955001 909866600 /nfs/dbraw/zinc/86/66/00/909866600.db2.gz QAVVWYHKCRLRNG-KRWDZBQOSA-N -1 3 399.497 3.797 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1SCCc2sccc21 ZINC001179955001 909866609 /nfs/dbraw/zinc/86/66/09/909866609.db2.gz QAVVWYHKCRLRNG-KRWDZBQOSA-N -1 3 399.497 3.797 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001180179477 909977547 /nfs/dbraw/zinc/97/75/47/909977547.db2.gz PDDCIOIEDMLAKY-HNNXBMFYSA-N -1 3 381.350 3.754 20 0 GHADHM COc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795339465 909982859 /nfs/dbraw/zinc/98/28/59/909982859.db2.gz JMPNPIQHPSJNNT-HNNXBMFYSA-N -1 3 377.462 3.656 20 0 GHADHM COc1cccc([C@H](NCc2ccc(OCC(F)(F)F)c(OC)c2)C(=O)[O-])c1 ZINC000901755322 921538475 /nfs/dbraw/zinc/53/84/75/921538475.db2.gz QTOGLYRZWCUMML-KRWDZBQOSA-N -1 3 399.365 3.560 20 0 GHADHM CCn1cc(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c2ccccc21 ZINC001180221327 910022034 /nfs/dbraw/zinc/02/20/34/910022034.db2.gz FDBFMRJYGXLARI-JCNLHEQBSA-N -1 3 378.476 3.542 20 0 GHADHM COC(=O)c1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc(F)c1Cl ZINC001180446303 910144586 /nfs/dbraw/zinc/14/45/86/910144586.db2.gz AYXWMAKXQQULPU-UHFFFAOYSA-N -1 3 395.818 3.620 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269686739 910334583 /nfs/dbraw/zinc/33/45/83/910334583.db2.gz NFRVCNQAMPQDRE-JXFKEZNVSA-N -1 3 380.419 3.808 20 0 GHADHM CCCOc1ccc([C@@H](O)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001180838457 910371809 /nfs/dbraw/zinc/37/18/09/910371809.db2.gz WYLHCEWPXVXQHN-MRXNPFEDSA-N -1 3 380.238 3.616 20 0 GHADHM CCn1ncc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1C1CC1 ZINC000639642245 910583158 /nfs/dbraw/zinc/58/31/58/910583158.db2.gz PATSBGAYCAEOAQ-UHFFFAOYSA-N -1 3 385.855 3.507 20 0 GHADHM CCSCC[C@H](C)N(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000271232322 910827665 /nfs/dbraw/zinc/82/76/65/910827665.db2.gz BMEXFTNTBHANMA-LBPRGKRZSA-N -1 3 391.493 3.545 20 0 GHADHM COc1ccc(COCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001181753454 910956304 /nfs/dbraw/zinc/95/63/04/910956304.db2.gz LRHZUYMYXYXRMF-UHFFFAOYSA-N -1 3 387.432 3.511 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(Br)c2Cl)c(=O)[n-]1 ZINC000283584887 911569776 /nfs/dbraw/zinc/56/97/76/911569776.db2.gz LBYPBSPPGZKKKS-UHFFFAOYSA-N -1 3 384.661 3.786 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccsc1 ZINC000642336044 911994319 /nfs/dbraw/zinc/99/43/19/911994319.db2.gz LCHHRBHVKLCZRG-CYBMUJFWSA-N -1 3 392.468 3.527 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccsc1 ZINC000642336045 911995012 /nfs/dbraw/zinc/99/50/12/911995012.db2.gz LCHHRBHVKLCZRG-ZDUSSCGKSA-N -1 3 392.468 3.527 20 0 GHADHM CCCN(Cc1ccccc1Br)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000642346809 912006654 /nfs/dbraw/zinc/00/66/54/912006654.db2.gz KRNRLUZGOKAJNR-UHFFFAOYSA-N -1 3 392.297 3.543 20 0 GHADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000642372662 912027336 /nfs/dbraw/zinc/02/73/36/912027336.db2.gz ZDPNXMRJIUBLFD-UHFFFAOYSA-N -1 3 376.338 3.822 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1F ZINC001187012383 914941364 /nfs/dbraw/zinc/94/13/64/914941364.db2.gz OERBTOIJUHNGAL-OAHLLOKOSA-N -1 3 398.450 3.668 20 0 GHADHM O=C(Nc1cnc2c(cccc2C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC001186992037 914961170 /nfs/dbraw/zinc/96/11/70/914961170.db2.gz RAJZLFGRNHNAJN-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1cnc2c(cccc2C(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC001186992037 914961178 /nfs/dbraw/zinc/96/11/78/914961178.db2.gz RAJZLFGRNHNAJN-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(c1ccccc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001186998696 914967166 /nfs/dbraw/zinc/96/71/66/914967166.db2.gz GPLKQFBDPLMZSZ-CYBMUJFWSA-N -1 3 387.365 3.515 20 0 GHADHM O=C(c1ccccc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001186998696 914967175 /nfs/dbraw/zinc/96/71/75/914967175.db2.gz GPLKQFBDPLMZSZ-CYBMUJFWSA-N -1 3 387.365 3.515 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)sc1Br ZINC001187073016 915005300 /nfs/dbraw/zinc/00/53/00/915005300.db2.gz URZQDFTTYPHRDO-QWHCGFSZSA-N -1 3 386.336 3.729 20 0 GHADHM Brc1ccc2c(c1)[C@H](N=c1ncnc3[nH][n-]cc1-3)CCCS2 ZINC001187091327 915029372 /nfs/dbraw/zinc/02/93/72/915029372.db2.gz QLJHLQVKJXRBPR-GFCCVEGCSA-N -1 3 376.283 3.528 20 0 GHADHM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000647123544 915039826 /nfs/dbraw/zinc/03/98/26/915039826.db2.gz FBAJEHUIYRDCQC-UHFFFAOYSA-N -1 3 396.896 3.546 20 0 GHADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)C1 ZINC001187137499 915050551 /nfs/dbraw/zinc/05/05/51/915050551.db2.gz CEERJBLWUMTLSI-QWRGUYRKSA-N -1 3 394.306 3.844 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)CCc2cccc3ccccc32)cc(OC)c1 ZINC001187646057 915376314 /nfs/dbraw/zinc/37/63/14/915376314.db2.gz BRMVIMCWLCAAKA-UHFFFAOYSA-N -1 3 399.468 3.619 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(C)(F)F)cc2)cc1OC ZINC000292227853 915569876 /nfs/dbraw/zinc/56/98/76/915569876.db2.gz RHAHOAPPKIPVPR-UHFFFAOYSA-N -1 3 398.431 3.821 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC001187992781 915670482 /nfs/dbraw/zinc/67/04/82/915670482.db2.gz VHHNTWUAFLFMTB-QWRGUYRKSA-N -1 3 377.680 3.876 20 0 GHADHM O=C([O-])CN(Cc1cc(C(F)(F)F)ccc1Br)C1CCOCC1 ZINC000901983479 921790418 /nfs/dbraw/zinc/79/04/18/921790418.db2.gz FWJQUSMKIICTNQ-UHFFFAOYSA-N -1 3 396.203 3.534 20 0 GHADHM CCSCc1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)nn2C)no1 ZINC000292616390 915767798 /nfs/dbraw/zinc/76/77/98/915767798.db2.gz RPMOTLUEDVLQLO-UHFFFAOYSA-N -1 3 377.857 3.629 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188267519 915864458 /nfs/dbraw/zinc/86/44/58/915864458.db2.gz MXLFIVXMKCTTGO-MRVPVSSYSA-N -1 3 392.777 3.858 20 0 GHADHM CCc1cc2c(CN[C@@H](c3nccs3)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000293014230 915949916 /nfs/dbraw/zinc/94/99/16/915949916.db2.gz QBKJHAHHAPSGJB-HNNXBMFYSA-N -1 3 384.379 3.911 20 0 GHADHM CCC(=O)C1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CC1 ZINC000649160005 916045737 /nfs/dbraw/zinc/04/57/37/916045737.db2.gz RHUWRVJTEKIZKA-UHFFFAOYSA-N -1 3 396.672 3.612 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1OC ZINC001188892717 916280513 /nfs/dbraw/zinc/28/05/13/916280513.db2.gz UTQFJIQJOYVASJ-UHFFFAOYSA-N -1 3 386.429 3.692 20 0 GHADHM O=S(=O)([N-]c1ncc(O)cc1Cl)c1ccc(Br)c(Cl)c1 ZINC001189149002 916433028 /nfs/dbraw/zinc/43/30/28/916433028.db2.gz JPSMZODKCOKHDT-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001189232117 916480121 /nfs/dbraw/zinc/48/01/21/916480121.db2.gz BYFICDHIHLARPP-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(Cl)c2nonc21 ZINC001189383215 916580094 /nfs/dbraw/zinc/58/00/94/916580094.db2.gz INNGMVGXKVPAFI-UONOGXRCSA-N -1 3 391.880 3.566 20 0 GHADHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189386126 916583017 /nfs/dbraw/zinc/58/30/17/916583017.db2.gz VNADJBURYLACKV-UHFFFAOYSA-N -1 3 388.464 3.598 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(C)C)cc32)s1 ZINC001189508166 916689670 /nfs/dbraw/zinc/68/96/70/916689670.db2.gz PDCLTRYCZCQNPH-OAHLLOKOSA-N -1 3 379.503 3.624 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc2c1OCCC2 ZINC000650158572 916761040 /nfs/dbraw/zinc/76/10/40/916761040.db2.gz RJKSJJIQJMQPAF-UHFFFAOYSA-N -1 3 395.864 3.627 20 0 GHADHM O=S(=O)([N-]c1ccc(N2CCSCC2)cc1)c1ccc2ncsc2c1 ZINC000775281007 916777672 /nfs/dbraw/zinc/77/76/72/916777672.db2.gz ODSJVCUBAFYROD-UHFFFAOYSA-N -1 3 391.543 3.650 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC001189686513 916806648 /nfs/dbraw/zinc/80/66/48/916806648.db2.gz GIDQTHWFUDNBMP-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(OC)c2)cc1C ZINC000650217399 916808521 /nfs/dbraw/zinc/80/85/21/916808521.db2.gz CWCBCGPAGGSLHN-UHFFFAOYSA-N -1 3 385.869 3.783 20 0 GHADHM COc1cc(Br)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189688837 916809163 /nfs/dbraw/zinc/80/91/63/916809163.db2.gz YEMKEPJOOLRLCN-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCN(C(C)=O)c4ccccc43)nc2)n1 ZINC000361787249 916910348 /nfs/dbraw/zinc/91/03/48/916910348.db2.gz IDTXOZRTJGSPDH-SFHVURJKSA-N -1 3 389.459 3.716 20 0 GHADHM COc1cccc(-c2cc(C(=O)[N-]c3cc(-c4ccccc4O)no3)no2)c1 ZINC001189977999 917016787 /nfs/dbraw/zinc/01/67/87/917016787.db2.gz SBQIZARWZXBBHO-UHFFFAOYSA-N -1 3 377.356 3.963 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000006465575 917032448 /nfs/dbraw/zinc/03/24/48/917032448.db2.gz DXRXGILCJWSIGQ-SNVBAGLBSA-N -1 3 387.417 3.736 20 0 GHADHM O=C([O-])C[C@H]1CCCCN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000650505789 917042571 /nfs/dbraw/zinc/04/25/71/917042571.db2.gz QFQROULBDVPEOV-RHSMWYFYSA-N -1 3 399.318 3.986 20 0 GHADHM COc1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc(OC)c1[O-] ZINC000362116976 917085476 /nfs/dbraw/zinc/08/54/76/917085476.db2.gz HQSDTSMMHBUDAU-UHFFFAOYSA-N -1 3 391.851 3.746 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1ccc(Br)cc1 ZINC001190205558 917196732 /nfs/dbraw/zinc/19/67/32/917196732.db2.gz XSXSSNOUZRBYMI-CYBMUJFWSA-N -1 3 391.237 3.552 20 0 GHADHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC001190350806 917280028 /nfs/dbraw/zinc/28/00/28/917280028.db2.gz VBSGLIYFHNDIHR-LLVKDONJSA-N -1 3 391.386 3.763 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2F)cc1 ZINC001190445601 917316439 /nfs/dbraw/zinc/31/64/39/917316439.db2.gz TZXQFCYTIOFQKK-UHFFFAOYSA-N -1 3 399.509 3.718 20 0 GHADHM C[C@]1(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1(Cl)Cl ZINC001190428217 917332944 /nfs/dbraw/zinc/33/29/44/917332944.db2.gz GCJJGLJBYWHSDJ-CYBMUJFWSA-N -1 3 397.686 3.890 20 0 GHADHM O=C([N-]c1cc(-c2ccc(Cl)s2)on1)c1cnc(-c2ccccn2)nc1O ZINC001190618960 917423112 /nfs/dbraw/zinc/42/31/12/917423112.db2.gz QBAHSITXJAURMP-UHFFFAOYSA-N -1 3 399.819 3.866 20 0 GHADHM COc1cc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)ccc1Cl ZINC001190613402 917447713 /nfs/dbraw/zinc/44/77/13/917447713.db2.gz WNBISVAQXWXHMO-UHFFFAOYSA-N -1 3 380.318 3.893 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001190958991 917665238 /nfs/dbraw/zinc/66/52/38/917665238.db2.gz QTMQZHCBSIYYSP-BJOHPYRUSA-N -1 3 375.343 3.645 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000363099253 917770913 /nfs/dbraw/zinc/77/09/13/917770913.db2.gz FMOMWMLGAHERBJ-AWEZNQCLSA-N -1 3 396.878 3.968 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC001191201316 917819942 /nfs/dbraw/zinc/81/99/42/917819942.db2.gz MNCKBLQXWRDYEL-GBIKHYSHSA-N -1 3 378.719 3.878 20 0 GHADHM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC001191229417 917864657 /nfs/dbraw/zinc/86/46/57/917864657.db2.gz PEDACCFWFRSIKW-JTQLQIEISA-N -1 3 375.824 3.536 20 0 GHADHM O=c1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)c2ccccc2[nH]1 ZINC001191334916 917940257 /nfs/dbraw/zinc/94/02/57/917940257.db2.gz XPTUULBPWWGVPI-UHFFFAOYSA-N -1 3 397.225 3.643 20 0 GHADHM Cc1nc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)n2)cc(=O)[n-]1 ZINC001191700197 918166251 /nfs/dbraw/zinc/16/62/51/918166251.db2.gz CPCKVORUDZWZIQ-UHFFFAOYSA-N -1 3 390.321 3.949 20 0 GHADHM Cc1nn(-c2ccccc2Cl)cc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000653504377 918272507 /nfs/dbraw/zinc/27/25/07/918272507.db2.gz RKARVAXGTYLWPR-LBPRGKRZSA-N -1 3 375.778 3.577 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c(-c2ccccc2)s1 ZINC001191926205 918302114 /nfs/dbraw/zinc/30/21/14/918302114.db2.gz SQYWVPUYJHXBNO-INIZCTEOSA-N -1 3 392.546 3.889 20 0 GHADHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CN(C)CC4)ccc2c1 ZINC001191971806 918344860 /nfs/dbraw/zinc/34/48/60/918344860.db2.gz DUQFAQBSUMEOBO-UHFFFAOYSA-N -1 3 382.485 3.637 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](OC4CCC4)C3)cc2)cc(=O)[n-]1 ZINC000653945965 918613676 /nfs/dbraw/zinc/61/36/76/918613676.db2.gz OLRKYXMNIAQUHV-GOSISDBHSA-N -1 3 382.464 3.723 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000280160868 919574563 /nfs/dbraw/zinc/57/45/63/919574563.db2.gz BXMBNOBQVFADMO-VQIMIIECSA-N -1 3 383.469 3.572 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)Nc1ccccc1Cl ZINC000800262662 919803578 /nfs/dbraw/zinc/80/35/78/919803578.db2.gz NNBSWSBHBJVLDU-MRXNPFEDSA-N -1 3 390.802 3.571 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)Nc1ccccc1Cl ZINC000800262662 919803590 /nfs/dbraw/zinc/80/35/90/919803590.db2.gz NNBSWSBHBJVLDU-MRXNPFEDSA-N -1 3 390.802 3.571 20 0 GHADHM CC(C)[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)Nc1ccccc1Cl ZINC000800262662 919803599 /nfs/dbraw/zinc/80/35/99/919803599.db2.gz NNBSWSBHBJVLDU-MRXNPFEDSA-N -1 3 390.802 3.571 20 0 GHADHM O=C([O-])C1CC2(C1)C[C@H](NCc1c(F)cccc1OC(F)(F)F)CCS2 ZINC000900079646 919814597 /nfs/dbraw/zinc/81/45/97/919814597.db2.gz UVMJNKCMIFVVLO-NOEPWBJOSA-N -1 3 393.402 3.943 20 0 GHADHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000900217322 920019469 /nfs/dbraw/zinc/01/94/69/920019469.db2.gz VWIJYKOCKYVPSA-UHFFFAOYSA-N -1 3 375.432 3.512 20 0 GHADHM O=C([O-])[C@]1(NC(=O)Nc2ccccc2Cl)CCCN(Cc2ccccc2)C1 ZINC000900320038 920177809 /nfs/dbraw/zinc/17/78/09/920177809.db2.gz QSZGAKDXTYRINT-FQEVSTJZSA-N -1 3 387.867 3.581 20 0 GHADHM COc1cc(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc(OC)c1[O-] ZINC000364907705 920182892 /nfs/dbraw/zinc/18/28/92/920182892.db2.gz SAZWVYONQNEFAW-MRXNPFEDSA-N -1 3 385.464 3.528 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Cl)nc1)c1c(Cl)cccc1Br ZINC000800900899 920581021 /nfs/dbraw/zinc/58/10/21/920581021.db2.gz KICFYCQRLJVYQM-UHFFFAOYSA-N -1 3 396.093 3.629 20 0 GHADHM Cc1nc2ccc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc2s1 ZINC000365353787 920692898 /nfs/dbraw/zinc/69/28/98/920692898.db2.gz FWBMWITUEUTMCY-UHFFFAOYSA-N -1 3 376.441 3.916 20 0 GHADHM CCOc1c(Br)cc(CN2CCCCC[C@H]2C(=O)[O-])cc1OC ZINC000902039508 921831003 /nfs/dbraw/zinc/83/10/03/921831003.db2.gz XHSHRMKATGGPFT-AWEZNQCLSA-N -1 3 386.286 3.686 20 0 GHADHM CCN(CC)C(=O)c1ccc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000902102740 921879495 /nfs/dbraw/zinc/87/94/95/921879495.db2.gz FNRKIVYFYFZEHV-UHFFFAOYSA-N -1 3 398.503 3.539 20 0 GHADHM CCc1nc(C[N-]c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)o2)cs1 ZINC000902138486 921907226 /nfs/dbraw/zinc/90/72/26/921907226.db2.gz DBAMYRYRUPKPTC-GFCCVEGCSA-N -1 3 379.486 3.773 20 0 GHADHM CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000902144382 921915655 /nfs/dbraw/zinc/91/56/55/921915655.db2.gz NUAVRRCGXRZSQW-HZPDHXFCSA-N -1 3 384.476 3.813 20 0 GHADHM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)C[C@@H](O)COCc1ccccc1 ZINC000902175705 921953724 /nfs/dbraw/zinc/95/37/24/921953724.db2.gz UFJJORYFVGCJHW-GOSISDBHSA-N -1 3 395.455 3.654 20 0 GHADHM C[C@H](Oc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000902360420 922122885 /nfs/dbraw/zinc/12/28/85/922122885.db2.gz TZOVWSUBMOKWNE-KRWDZBQOSA-N -1 3 399.487 3.524 20 0 GHADHM C[C@@H](C[C@H]1CCOC1)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902900262 922587037 /nfs/dbraw/zinc/58/70/37/922587037.db2.gz DGRKYLYIYDNJCF-DTWKUNHWSA-N -1 3 386.748 3.777 20 0 GHADHM O=C(O[C@@H]1CCc2c1cccc2Cl)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803279523 922850733 /nfs/dbraw/zinc/85/07/33/922850733.db2.gz JTHFMVGNKQAPOM-PKOBYXMFSA-N -1 3 385.847 3.881 20 0 GHADHM Cc1cc(Oc2cc(Cl)ccc2CN(C)C[C@@](C)(O)C(=O)[O-])ccc1F ZINC000903607526 923122098 /nfs/dbraw/zinc/12/20/98/923122098.db2.gz JDMSZDVZIMOYHI-LJQANCHMSA-N -1 3 381.831 3.847 20 0 GHADHM O=C([O-])C1(C(F)(F)F)CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000903921195 923400690 /nfs/dbraw/zinc/40/06/90/923400690.db2.gz HOCBXJGQRHUDDR-UHFFFAOYSA-N -1 3 385.304 3.857 20 0 GHADHM Cc1cc(Br)ccc1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903940893 923416127 /nfs/dbraw/zinc/41/61/27/923416127.db2.gz KOOYKVIJKOTORF-IAOVAPTHSA-N -1 3 382.298 3.602 20 0 GHADHM Cc1nn(-c2ccccn2)c(Cl)c1CNCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000903993054 923454484 /nfs/dbraw/zinc/45/44/84/923454484.db2.gz MHENMOWGYGJUFI-KRWDZBQOSA-N -1 3 398.894 3.652 20 0 GHADHM CCCCSCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000748320980 923573394 /nfs/dbraw/zinc/57/33/94/923573394.db2.gz QVINMXFGRKJQHM-UHFFFAOYSA-N -1 3 384.929 3.756 20 0 GHADHM Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)o1 ZINC000748323903 923576604 /nfs/dbraw/zinc/57/66/04/923576604.db2.gz SBKOVYNBTTYQLV-CYBMUJFWSA-N -1 3 390.867 3.928 20 0 GHADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000748574505 923733433 /nfs/dbraw/zinc/73/34/33/923733433.db2.gz WYSCYZOWQNMKGJ-UHFFFAOYSA-N -1 3 386.533 3.799 20 0 GHADHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000676862825 924114648 /nfs/dbraw/zinc/11/46/48/924114648.db2.gz VAZPCHBSLDWMHI-CQSZACIVSA-N -1 3 393.814 3.679 20 0 GHADHM Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc(=O)c4ccccc4[n-]3)n2)ccc1F ZINC000370496395 924127505 /nfs/dbraw/zinc/12/75/05/924127505.db2.gz OKZJQONMRSHLPS-GFCCVEGCSA-N -1 3 392.390 3.517 20 0 GHADHM CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)c1 ZINC000677211789 924286155 /nfs/dbraw/zinc/28/61/55/924286155.db2.gz KQRCCWCCHNCURJ-NSHDSACASA-N -1 3 376.865 3.759 20 0 GHADHM COc1ccccc1[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nccn1C ZINC000371370318 924547153 /nfs/dbraw/zinc/54/71/53/924547153.db2.gz UZHLYXYSFYDAQS-QGZVFWFLSA-N -1 3 389.377 3.565 20 0 GHADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000371832614 924891764 /nfs/dbraw/zinc/89/17/64/924891764.db2.gz OQTYQRDBNPNWFR-NHCUHLMSSA-N -1 3 397.471 3.577 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)c1 ZINC000410128527 925340424 /nfs/dbraw/zinc/34/04/24/925340424.db2.gz TZPWJWUOPYMQKO-OAHLLOKOSA-N -1 3 379.503 3.626 20 0 GHADHM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(CN2CCCCC2)cc1 ZINC000410365650 925575807 /nfs/dbraw/zinc/57/58/07/925575807.db2.gz FEVZCOYJTBHCLZ-UHFFFAOYSA-N -1 3 392.528 3.789 20 0 GHADHM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000681207799 925761387 /nfs/dbraw/zinc/76/13/87/925761387.db2.gz RBPYSCPUYDUAHY-UHFFFAOYSA-N -1 3 389.770 3.598 20 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377.799 3.647 20 0 GHADHM Cc1cnc(C2CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)s1 ZINC000412299103 927310382 /nfs/dbraw/zinc/31/03/82/927310382.db2.gz ZNWXZHUAVJNROL-UHFFFAOYSA-N -1 3 387.892 3.966 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3cnn(C)c3)c3ccccc3)nc2)n1 ZINC000374609368 927333986 /nfs/dbraw/zinc/33/39/86/927333986.db2.gz FAWSYVLTVMPWDV-OAQYLSRUSA-N -1 3 386.459 3.742 20 0 GHADHM COc1cc(-c2noc(COC(=O)c3cc(-c4ccc(C)o4)[n-]n3)n2)ccc1C ZINC000750008875 927390619 /nfs/dbraw/zinc/39/06/19/927390619.db2.gz WXWMPPHKNHAWLP-UHFFFAOYSA-N -1 3 394.387 3.702 20 0 GHADHM COc1cc(-c2noc(COC(=O)c3cc(-c4ccc(C)o4)n[n-]3)n2)ccc1C ZINC000750008875 927390634 /nfs/dbraw/zinc/39/06/34/927390634.db2.gz WXWMPPHKNHAWLP-UHFFFAOYSA-N -1 3 394.387 3.702 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCO[C@@H]3CCCC[C@@H]3C)[n-]c(=O)c12 ZINC000412991270 928082274 /nfs/dbraw/zinc/08/22/74/928082274.db2.gz JMCHSPHPWAZBKW-SMDDNHRTSA-N -1 3 391.493 3.513 20 0 GHADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000751374557 928161301 /nfs/dbraw/zinc/16/13/01/928161301.db2.gz ZHTQDEBEGKCCCY-OAHLLOKOSA-N -1 3 393.814 3.545 20 0 GHADHM O=S(=O)([N-][C@H](CCO)c1cccs1)c1ccc(Cl)cc1C(F)(F)F ZINC000751438503 928193870 /nfs/dbraw/zinc/19/38/70/928193870.db2.gz WPNXZSCWWOZQED-LLVKDONJSA-N -1 3 399.843 3.822 20 0 GHADHM O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000751730080 928353155 /nfs/dbraw/zinc/35/31/55/928353155.db2.gz BAHXSTVHKAXJPH-UHFFFAOYSA-N -1 3 394.754 3.538 20 0 GHADHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000752021230 928555992 /nfs/dbraw/zinc/55/59/92/928555992.db2.gz AYWPVSKDMPBIQA-GXTWGEPZSA-N -1 3 394.543 3.662 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cn(C)nc1-c1ccccc1 ZINC000543912686 928562977 /nfs/dbraw/zinc/56/29/77/928562977.db2.gz DMSSQYZHIAYYLY-UHFFFAOYSA-N -1 3 399.447 3.759 20 0 GHADHM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1C ZINC000467084259 928678549 /nfs/dbraw/zinc/67/85/49/928678549.db2.gz XOOYRPMCAKWACK-UHFFFAOYSA-N -1 3 393.505 3.666 20 0 GHADHM Cc1ncc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)c(=O)[n-]1 ZINC000544260585 928990851 /nfs/dbraw/zinc/99/08/51/928990851.db2.gz YARYOQUXVAYOQT-UHFFFAOYSA-N -1 3 390.418 3.563 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCC3(C)CCC3)c2)c1 ZINC000752816440 929036991 /nfs/dbraw/zinc/03/69/91/929036991.db2.gz UMPGDNLNAUOMAF-UHFFFAOYSA-N -1 3 398.459 3.582 20 0 GHADHM CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1F ZINC000467425769 929057652 /nfs/dbraw/zinc/05/76/52/929057652.db2.gz RVPQVCGRGWJQHF-MRXNPFEDSA-N -1 3 387.386 3.757 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000752980596 929134053 /nfs/dbraw/zinc/13/40/53/929134053.db2.gz VYFCWVWRJXGEQT-UHFFFAOYSA-N -1 3 394.456 3.828 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000752980596 929134059 /nfs/dbraw/zinc/13/40/59/929134059.db2.gz VYFCWVWRJXGEQT-UHFFFAOYSA-N -1 3 394.456 3.828 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc([C@H](O)c3ccccn3)ccc2C)cc1 ZINC000753014584 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FATKUNOTVXFTEE-INIZCTEOSA-N -1 3 389.370 3.517 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c(Br)n1 ZINC000780713535 930583459 /nfs/dbraw/zinc/58/34/59/930583459.db2.gz LZCJAUURBABKKB-UHFFFAOYSA-N -1 3 377.210 3.891 20 0 GHADHM COc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1OC(C)C ZINC000780852116 930617218 /nfs/dbraw/zinc/61/72/18/930617218.db2.gz VSCFUXCQNRXHKX-UHFFFAOYSA-N -1 3 384.388 3.595 20 0 GHADHM Cc1cccc(N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000780945534 930647292 /nfs/dbraw/zinc/64/72/92/930647292.db2.gz YATWGGOSGFCUJP-FQEVSTJZSA-N -1 3 389.455 3.620 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000470576723 930725611 /nfs/dbraw/zinc/72/56/11/930725611.db2.gz MOHQULWYXSGSJH-UHFFFAOYSA-N -1 3 388.414 3.724 20 0 GHADHM CCCCOCCOCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470598972 930741570 /nfs/dbraw/zinc/74/15/70/930741570.db2.gz HWYHYEKAGFXONJ-UHFFFAOYSA-N -1 3 389.901 3.506 20 0 GHADHM Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc2s1 ZINC000781408047 930833140 /nfs/dbraw/zinc/83/31/40/930833140.db2.gz FLLNZEGEDLTENL-INIZCTEOSA-N -1 3 381.457 3.554 20 0 GHADHM CC(C)OCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000781473237 930861285 /nfs/dbraw/zinc/86/12/85/930861285.db2.gz YDMAZWFWARHDKI-UHFFFAOYSA-N -1 3 395.452 3.598 20 0 GHADHM COc1cc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000470737390 930872309 /nfs/dbraw/zinc/87/23/09/930872309.db2.gz PDJPQTMHZBZVHC-UHFFFAOYSA-N -1 3 399.365 3.579 20 0 GHADHM O=C([N-]OCc1ccc(F)cc1Br)c1c(F)cc(F)cc1F ZINC000781864969 931002952 /nfs/dbraw/zinc/00/29/52/931002952.db2.gz AKPQXPHXSRMJJX-UHFFFAOYSA-N -1 3 378.119 3.867 20 0 GHADHM Cc1cc(C(=O)CCC(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)s1 ZINC000781909248 931023902 /nfs/dbraw/zinc/02/39/02/931023902.db2.gz MJXHPGDLMWKHGT-UHFFFAOYSA-N -1 3 386.429 3.827 20 0 GHADHM O=C([N-]N1Cc2ccccc2C1=O)c1cc(C(F)(F)F)ccc1Br ZINC000782084248 931084524 /nfs/dbraw/zinc/08/45/24/931084524.db2.gz RZICGLNYAZOFRG-UHFFFAOYSA-N -1 3 399.166 3.769 20 0 GHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000557201365 931269166 /nfs/dbraw/zinc/26/91/66/931269166.db2.gz HOKXNMGRYXGLLP-UHFFFAOYSA-N -1 3 391.443 3.983 20 0 GHADHM CC(C)CC(=O)Nc1ccccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782659555 931293978 /nfs/dbraw/zinc/29/39/78/931293978.db2.gz JHBFMVATJJDABH-UHFFFAOYSA-N -1 3 395.415 3.784 20 0 GHADHM C[C@@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000697591098 931686912 /nfs/dbraw/zinc/68/69/12/931686912.db2.gz IOFWOWOUHRYXCF-SNVBAGLBSA-N -1 3 398.916 3.773 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3ccc(OC)c(OC)c3)nc2)n1 ZINC000557883505 931737666 /nfs/dbraw/zinc/73/76/66/931737666.db2.gz AVRVAANYAHRXIK-CQSZACIVSA-N -1 3 394.475 3.867 20 0 GHADHM O=C(NCc1cc2ccccc2[nH]1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000558511662 932045483 /nfs/dbraw/zinc/04/54/83/932045483.db2.gz PWCXUIZLOYAWAG-UHFFFAOYSA-N -1 3 396.244 3.702 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)s1 ZINC000559032427 932384432 /nfs/dbraw/zinc/38/44/32/932384432.db2.gz LQWVUXUKSQVXKU-ZETCQYMHSA-N -1 3 387.836 3.583 20 0 GHADHM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000797826373 932419663 /nfs/dbraw/zinc/41/96/63/932419663.db2.gz SETKSIAQLWPZTL-AWEZNQCLSA-N -1 3 390.267 3.587 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(Br)cc2Cl)CC1)c1ccco1 ZINC000559140980 932459667 /nfs/dbraw/zinc/45/96/67/932459667.db2.gz VSSIZRPSMFKDCV-UHFFFAOYSA-N -1 3 390.686 3.706 20 0 GHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H](O)c1ccccn1 ZINC000798300687 932598824 /nfs/dbraw/zinc/59/88/24/932598824.db2.gz ICCQAHMZKNTNBB-GOSISDBHSA-N -1 3 377.425 3.736 20 0 GHADHM O=C([N-]CC1CCN(C(=O)N[C@H](CC2CC2)c2ccccc2)CC1)C(F)(F)F ZINC000798426193 932642377 /nfs/dbraw/zinc/64/23/77/932642377.db2.gz VDTMSTDKMKTJHV-QGZVFWFLSA-N -1 3 397.441 3.628 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(F)ccc(F)c3N)nc(=O)c2c1C ZINC000798677975 932734288 /nfs/dbraw/zinc/73/42/88/932734288.db2.gz IWNHMSQOEIIDRU-SSDOTTSWSA-N -1 3 379.388 3.792 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000799089736 932873665 /nfs/dbraw/zinc/87/36/65/932873665.db2.gz VOHICGIPQZHJFV-QGZVFWFLSA-N -1 3 396.503 3.910 20 0 GHADHM O=C([N-]CC1CCN(CCOc2c(Cl)cccc2Cl)CC1)C(F)(F)F ZINC000799172114 932896817 /nfs/dbraw/zinc/89/68/17/932896817.db2.gz BBBYGVKRYYLWSN-UHFFFAOYSA-N -1 3 399.240 3.763 20 0 GHADHM Cc1ccc(Cc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)o1 ZINC000559988300 933000770 /nfs/dbraw/zinc/00/07/70/933000770.db2.gz XAHISBFUUAHXMN-UHFFFAOYSA-N -1 3 386.209 3.776 20 0 GHADHM C[C@@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)c1cccnc1 ZINC000559988073 933001590 /nfs/dbraw/zinc/00/15/90/933001590.db2.gz VMAJEKRPLYJAOJ-SNVBAGLBSA-N -1 3 397.236 3.831 20 0 GHADHM COc1cc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cc2c1OCCO2 ZINC000559989430 933001669 /nfs/dbraw/zinc/00/16/69/933001669.db2.gz KMNREPZWETUZHV-GAJHUEQPSA-N -1 3 397.471 3.679 20 0 GHADHM CSC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000560059878 933043278 /nfs/dbraw/zinc/04/32/78/933043278.db2.gz ZUGFTINFUBVYRM-UHFFFAOYSA-N -1 3 384.748 3.667 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC001116012183 933281620 /nfs/dbraw/zinc/28/16/20/933281620.db2.gz LQWWAAVUQKDYSR-UHFFFAOYSA-N -1 3 381.407 3.671 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(C3SCCCS3)cc2)[n-]n1 ZINC000777779260 933387265 /nfs/dbraw/zinc/38/72/65/933387265.db2.gz IDSKSEAQUNOCHH-UHFFFAOYSA-N -1 3 377.491 3.707 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc(C3SCCCS3)cc2)n[n-]1 ZINC000777779260 933387273 /nfs/dbraw/zinc/38/72/73/933387273.db2.gz IDSKSEAQUNOCHH-UHFFFAOYSA-N -1 3 377.491 3.707 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cnoc3C3CC3)cc2)cc1 ZINC001116333566 933487684 /nfs/dbraw/zinc/48/76/84/933487684.db2.gz LVGKZHUGLOLUIE-UHFFFAOYSA-N -1 3 397.456 3.914 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001116363030 933510116 /nfs/dbraw/zinc/51/01/16/933510116.db2.gz DENLGUDPPVATSD-NYHFZMIOSA-N -1 3 375.428 3.503 20 0 GHADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001117489233 933944198 /nfs/dbraw/zinc/94/41/98/933944198.db2.gz MHNLOEDJMCHOFH-KGLIPLIRSA-N -1 3 399.532 3.553 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC001117666062 933975561 /nfs/dbraw/zinc/97/55/61/933975561.db2.gz INESMXFGYGVQQY-UHFFFAOYSA-N -1 3 386.255 3.956 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1[O-] ZINC001117932866 934061573 /nfs/dbraw/zinc/06/15/73/934061573.db2.gz HBAJNXQHPQAPOD-HXUWFJFHSA-N -1 3 389.455 3.647 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1[O-] ZINC001117932865 934061718 /nfs/dbraw/zinc/06/17/18/934061718.db2.gz HBAJNXQHPQAPOD-FQEVSTJZSA-N -1 3 389.455 3.647 20 0 GHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1c(F)cccc1OC(F)(F)F ZINC000561342743 934069235 /nfs/dbraw/zinc/06/92/35/934069235.db2.gz LAEFOATZDOWGTG-ZDUSSCGKSA-N -1 3 393.333 3.829 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(CN4CCCCC4)o3)cc2)n1 ZINC000930688485 934182487 /nfs/dbraw/zinc/18/24/87/934182487.db2.gz VPLABSBJOSYJAO-UHFFFAOYSA-N -1 3 392.459 3.577 20 0 GHADHM COc1ccc(C2CC2)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001120686125 934492891 /nfs/dbraw/zinc/49/28/91/934492891.db2.gz PQZIBXCJGADRDW-UHFFFAOYSA-N -1 3 394.880 3.850 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC)[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC001123561255 935225652 /nfs/dbraw/zinc/22/56/52/935225652.db2.gz ZYRLLWOFZQFXRR-HNNXBMFYSA-N -1 3 382.460 3.619 20 0 GHADHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)C2)n1 ZINC001123913864 935319361 /nfs/dbraw/zinc/31/93/61/935319361.db2.gz MEKQXLPFHNKTTN-DMABHKPASA-N -1 3 398.551 3.572 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C3CCC(c4ccccc4)CC3)CC2)n1 ZINC001123961046 935324062 /nfs/dbraw/zinc/32/40/62/935324062.db2.gz RVCSHFYMFBDHSZ-UHFFFAOYSA-N -1 3 394.519 3.550 20 0 GHADHM CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001124277020 935369067 /nfs/dbraw/zinc/36/90/67/935369067.db2.gz INZFBVNIPSGSSN-UHFFFAOYSA-N -1 3 384.457 3.889 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SC[C@@]3(C)CC3(Cl)Cl)[n-]c(=O)c12 ZINC000829106023 935768211 /nfs/dbraw/zinc/76/82/11/935768211.db2.gz FNNAQKDKZDUVIF-CQSZACIVSA-N -1 3 388.276 3.501 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(NCc3cncs3)c2)c([O-])c1 ZINC001137939629 935881928 /nfs/dbraw/zinc/88/19/28/935881928.db2.gz LIZXNGWBATUMMH-UHFFFAOYSA-N -1 3 397.456 3.890 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001138012180 935926983 /nfs/dbraw/zinc/92/69/83/935926983.db2.gz ZYJFYQZWNYQHOE-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM Cc1cccc([C@H](NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])c1C ZINC000908881119 939343594 /nfs/dbraw/zinc/34/35/94/939343594.db2.gz BYZNOADGKJTDEL-QFUCXCTJSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1cc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1-c1nnn[n-]1 ZINC001573278896 946627094 /nfs/dbraw/zinc/62/70/94/946627094.db2.gz BCJOQZIIXOLPIQ-UXLLHSPISA-N -1 3 382.265 3.627 20 0 GHADHM Brc1cc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1-c1nn[n-]n1 ZINC001573278896 946627100 /nfs/dbraw/zinc/62/71/00/946627100.db2.gz BCJOQZIIXOLPIQ-UXLLHSPISA-N -1 3 382.265 3.627 20 0 GHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cc(Cl)cc2cccnc21 ZINC001573555415 946909436 /nfs/dbraw/zinc/90/94/36/946909436.db2.gz KTOFDFXVJGAEGQ-UHFFFAOYSA-N -1 3 379.807 3.850 20 0 GHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cc(Cl)cc2cccnc21 ZINC001573555415 946909441 /nfs/dbraw/zinc/90/94/41/946909441.db2.gz KTOFDFXVJGAEGQ-UHFFFAOYSA-N -1 3 379.807 3.850 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573365570 947732706 /nfs/dbraw/zinc/73/27/06/947732706.db2.gz MNNVHUPKJFLBMP-BMRADRMJSA-N -1 3 387.487 3.985 20 0 GHADHM CC(=Cc1ccc(C)cc1)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573365570 947732713 /nfs/dbraw/zinc/73/27/13/947732713.db2.gz MNNVHUPKJFLBMP-BMRADRMJSA-N -1 3 387.487 3.985 20 0 GHADHM C[C@@H](C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br)c1cccs1 ZINC001573754737 948747416 /nfs/dbraw/zinc/74/74/16/948747416.db2.gz JMDZTVMRHHZNPR-SSDOTTSWSA-N -1 3 397.229 3.539 20 0 GHADHM C[C@@H](C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br)c1cccs1 ZINC001573754737 948747426 /nfs/dbraw/zinc/74/74/26/948747426.db2.gz JMDZTVMRHHZNPR-SSDOTTSWSA-N -1 3 397.229 3.539 20 0 GHADHM C[C@@H](C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001573756090 948796123 /nfs/dbraw/zinc/79/61/23/948796123.db2.gz WWVPATOEOUSAKS-SSDOTTSWSA-N -1 3 397.653 3.964 20 0 GHADHM C[C@@H](C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC001573756090 948796134 /nfs/dbraw/zinc/79/61/34/948796134.db2.gz WWVPATOEOUSAKS-SSDOTTSWSA-N -1 3 397.653 3.964 20 0 GHADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1Br)c1cccc(F)c1 ZINC001573756177 948803075 /nfs/dbraw/zinc/80/30/75/948803075.db2.gz MZKIIOVELNIVHW-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1Br)c1cccc(F)c1 ZINC001573756177 948803079 /nfs/dbraw/zinc/80/30/79/948803079.db2.gz MZKIIOVELNIVHW-VIFPVBQESA-N -1 3 390.216 3.511 20 0 GHADHM CC(C)[C@H]1N(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC12CCCC2 ZINC001574099694 949181830 /nfs/dbraw/zinc/18/18/30/949181830.db2.gz NMBYVIIIHGWTTD-RBUKOAKNSA-N -1 3 394.523 3.854 20 0 GHADHM CC(C)[C@H]1N(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC12CCCC2 ZINC001574099694 949181840 /nfs/dbraw/zinc/18/18/40/949181840.db2.gz NMBYVIIIHGWTTD-RBUKOAKNSA-N -1 3 394.523 3.854 20 0 GHADHM CC[C@@]1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)OCCc2ccccc21 ZINC001589615648 949367177 /nfs/dbraw/zinc/36/71/77/949367177.db2.gz RYNPWZXIXKOXIX-JPYJTQIMSA-N -1 3 398.503 3.548 20 0 GHADHM CC(C)n1ncc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1-c1ccccc1 ZINC001574469130 949472719 /nfs/dbraw/zinc/47/27/19/949472719.db2.gz XGUUPNGFVNSTJI-UHFFFAOYSA-N -1 3 392.394 3.669 20 0 GHADHM CC(C)n1ncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1-c1ccccc1 ZINC001574469130 949472735 /nfs/dbraw/zinc/47/27/35/949472735.db2.gz XGUUPNGFVNSTJI-UHFFFAOYSA-N -1 3 392.394 3.669 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001576157571 949486561 /nfs/dbraw/zinc/48/65/61/949486561.db2.gz RKMKIZBAYORTGZ-MAUKXSAKSA-N -1 3 391.475 3.612 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001576157571 949486577 /nfs/dbraw/zinc/48/65/77/949486577.db2.gz RKMKIZBAYORTGZ-MAUKXSAKSA-N -1 3 391.475 3.612 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(F)c2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC001575276794 949731949 /nfs/dbraw/zinc/73/19/49/949731949.db2.gz LPILSQYNLVHFQU-AWEZNQCLSA-N -1 3 389.434 3.969 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(F)c2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC001575276794 949731969 /nfs/dbraw/zinc/73/19/69/949731969.db2.gz LPILSQYNLVHFQU-AWEZNQCLSA-N -1 3 389.434 3.969 20 0 GHADHM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573850067 950263775 /nfs/dbraw/zinc/26/37/75/950263775.db2.gz FKRFNMFNEXZLBL-UHFFFAOYSA-N -1 3 385.468 3.585 20 0 GHADHM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573850067 950263792 /nfs/dbraw/zinc/26/37/92/950263792.db2.gz FKRFNMFNEXZLBL-UHFFFAOYSA-N -1 3 385.468 3.585 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(OC)c1 ZINC001589722958 950434032 /nfs/dbraw/zinc/43/40/32/950434032.db2.gz KJDXKPVAYRNDIO-HXUWFJFHSA-N -1 3 399.491 3.527 20 0 GHADHM C[C@@H](CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCO1 ZINC001574520059 950711770 /nfs/dbraw/zinc/71/17/70/950711770.db2.gz KWBXELBIJGHATE-IFXJQAMLSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@@H](CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCO1 ZINC001574520059 950711776 /nfs/dbraw/zinc/71/17/76/950711776.db2.gz KWBXELBIJGHATE-IFXJQAMLSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@H](CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CCCO1 ZINC001574520058 950712126 /nfs/dbraw/zinc/71/21/26/950712126.db2.gz KWBXELBIJGHATE-AUUYWEPGSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@H](CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CCCO1 ZINC001574520058 950712144 /nfs/dbraw/zinc/71/21/44/950712144.db2.gz KWBXELBIJGHATE-AUUYWEPGSA-N -1 3 378.432 3.644 20 0 GHADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574520713 950749284 /nfs/dbraw/zinc/74/92/84/950749284.db2.gz XQZRIKCRDHLBBM-SNVBAGLBSA-N -1 3 387.802 3.507 20 0 GHADHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574520713 950749297 /nfs/dbraw/zinc/74/92/97/950749297.db2.gz XQZRIKCRDHLBBM-SNVBAGLBSA-N -1 3 387.802 3.507 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)Cc3cccc(F)c3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576219837 950813826 /nfs/dbraw/zinc/81/38/26/950813826.db2.gz VGJZFGVXDJJDDH-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H]1CCc2sc(NC(=O)Cc3cccc(F)c3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576219837 950813851 /nfs/dbraw/zinc/81/38/51/950813851.db2.gz VGJZFGVXDJJDDH-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM CC(C)(CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)c1ccc(F)cc1 ZINC001573895561 950940413 /nfs/dbraw/zinc/94/04/13/950940413.db2.gz CPKJURNNJLAFRS-UHFFFAOYSA-N -1 3 379.439 3.653 20 0 GHADHM CC(C)(CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)c1ccc(F)cc1 ZINC001573895561 950940427 /nfs/dbraw/zinc/94/04/27/950940427.db2.gz CPKJURNNJLAFRS-UHFFFAOYSA-N -1 3 379.439 3.653 20 0 GHADHM CCOc1cc(CNCc2ccccc2C(=O)[O-])cc(Br)c1O ZINC001592184441 951306173 /nfs/dbraw/zinc/30/61/73/951306173.db2.gz NGPZLOCXSYKVQK-UHFFFAOYSA-N -1 3 380.238 3.541 20 0 GHADHM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575186075 952437537 /nfs/dbraw/zinc/43/75/37/952437537.db2.gz YYCHACBEWUNZOV-GFCCVEGCSA-N -1 3 387.896 3.773 20 0 GHADHM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575186075 952437542 /nfs/dbraw/zinc/43/75/42/952437542.db2.gz YYCHACBEWUNZOV-GFCCVEGCSA-N -1 3 387.896 3.773 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001575187939 952444493 /nfs/dbraw/zinc/44/44/93/952444493.db2.gz GDHAKONNLPTWHX-LLVKDONJSA-N -1 3 390.274 3.669 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001575187939 952444498 /nfs/dbraw/zinc/44/44/98/952444498.db2.gz GDHAKONNLPTWHX-LLVKDONJSA-N -1 3 390.274 3.669 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC001575188043 952445837 /nfs/dbraw/zinc/44/58/37/952445837.db2.gz GURFQEYXPCWNCE-LBPRGKRZSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC001575188043 952445839 /nfs/dbraw/zinc/44/58/39/952445839.db2.gz GURFQEYXPCWNCE-LBPRGKRZSA-N -1 3 399.857 3.817 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001575188384 952447369 /nfs/dbraw/zinc/44/73/69/952447369.db2.gz HUOMSISTZKISQM-JTQLQIEISA-N -1 3 394.328 3.809 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001575188384 952447372 /nfs/dbraw/zinc/44/73/72/952447372.db2.gz HUOMSISTZKISQM-JTQLQIEISA-N -1 3 394.328 3.809 20 0 GHADHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1cc(Cl)ccc1OCC1CC1)O2 ZINC001594904412 954661289 /nfs/dbraw/zinc/66/12/89/954661289.db2.gz CVYHXNNMCZXVSP-RYZJOYRSSA-N -1 3 379.884 3.631 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1ccccc1C(=O)[O-] ZINC001603234068 972360029 /nfs/dbraw/zinc/36/00/29/972360029.db2.gz FCEXVMPSARGNHB-DOTOQJQBSA-N -1 3 392.496 3.531 20 0 GHADHM C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573362846 958603705 /nfs/dbraw/zinc/60/37/05/958603705.db2.gz GAMVPDFNJXMWCT-LULLPPNCSA-N -1 3 398.528 3.600 20 0 GHADHM C[C@@H](NCc1ncc(Br)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573630828 959551243 /nfs/dbraw/zinc/55/12/43/959551243.db2.gz LPGVKKBFYOIYLH-DVVUODLYSA-N -1 3 375.694 3.723 20 0 GHADHM CCCCO[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1(C)C ZINC001573849155 961121599 /nfs/dbraw/zinc/12/15/99/961121599.db2.gz OIPNZWYMMXGZEX-KBAYOESNSA-N -1 3 378.513 3.654 20 0 GHADHM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001356625912 962745103 /nfs/dbraw/zinc/74/51/03/962745103.db2.gz BDCWZZJNMWWKDD-AZUAARDMSA-N -1 3 387.524 3.500 20 0 GHADHM O=C([O-])[C@@H](NCc1ccc(OCCn2ccnc2)c(Cl)c1)c1ccccc1 ZINC001606362562 973822107 /nfs/dbraw/zinc/82/21/07/973822107.db2.gz OZZWYCNTZUMUAE-IBGZPJMESA-N -1 3 385.851 3.531 20 0 GHADHM CC1CCC(N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C2CC2)CC1 ZINC001625807028 1014191950 /nfs/dbraw/zinc/19/19/50/1014191950.db2.gz LJAUDOCSYCTCMI-UHFFFAOYSA-N -1 3 384.929 3.895 20 0 GHADHM C[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000565100993 974568173 /nfs/dbraw/zinc/56/81/73/974568173.db2.gz OWYPXYYAISZPCU-KRWDZBQOSA-N -1 3 379.254 3.791 20 0 GHADHM CC(C)OCCOC1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001591726506 975687711 /nfs/dbraw/zinc/68/77/11/975687711.db2.gz ZUNVHHXFIHPIIU-KRWDZBQOSA-N -1 3 389.414 3.737 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cccc1C(=O)[O-] ZINC001591746921 975787246 /nfs/dbraw/zinc/78/72/46/975787246.db2.gz VHWOOPDNAIZGCH-MRXNPFEDSA-N -1 3 399.491 3.814 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001591747677 975795881 /nfs/dbraw/zinc/79/58/81/975795881.db2.gz WLWFAUPCFSELSZ-HKUYNNGSSA-N -1 3 397.475 3.739 20 0 GHADHM C[C@@H](Oc1cc(=O)[n-]c(N2CCOCC2)n1)c1c(Cl)ccc(F)c1Cl ZINC001226722937 1032092641 /nfs/dbraw/zinc/09/26/41/1032092641.db2.gz QWIWXDPTKGXRMR-SECBINFHSA-N -1 3 388.226 3.605 20 0 GHADHM C[C@@](CNCc1c(F)cc(Br)cc1F)(C(=O)[O-])c1ccccc1 ZINC001592709886 979196081 /nfs/dbraw/zinc/19/60/81/979196081.db2.gz PZSKQTPWCAZSOA-KRWDZBQOSA-N -1 3 384.220 3.859 20 0 GHADHM CC[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595299789 980430751 /nfs/dbraw/zinc/43/07/51/980430751.db2.gz FPUDOGVTRVNYJI-PMACEKPBSA-N -1 3 382.460 3.743 20 0 GHADHM Cn1c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nnc1-c1ccc(F)cc1 ZINC000041649810 1014864921 /nfs/dbraw/zinc/86/49/21/1014864921.db2.gz XIIVIRVUTPSYGU-UHFFFAOYSA-N -1 3 393.447 3.664 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595836708 982744724 /nfs/dbraw/zinc/74/47/24/982744724.db2.gz KFQRBGGWBAZLJB-HNNXBMFYSA-N -1 3 378.856 3.753 20 0 GHADHM CCCN(C)[C@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836875 982745852 /nfs/dbraw/zinc/74/58/52/982745852.db2.gz OIXFWDZOLXIOHC-YLJYHZDGSA-N -1 3 395.931 3.619 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccco1 ZINC001594994312 982872946 /nfs/dbraw/zinc/87/29/46/982872946.db2.gz LBCNMDBMSOUFJQ-DOMZBBRYSA-N -1 3 391.493 3.951 20 0 GHADHM CCCN(CCN1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595879648 982881372 /nfs/dbraw/zinc/88/13/72/982881372.db2.gz OUYPAHHTWZFJIB-UHFFFAOYSA-N -1 3 391.512 3.902 20 0 GHADHM CC[C@H](C)N[C@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccco1 ZINC001594995366 982892517 /nfs/dbraw/zinc/89/25/17/982892517.db2.gz WBMXRZYUHWHGMC-YVEFUNNKSA-N -1 3 384.436 3.710 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)cc2)n[nH]1 ZINC001626110076 1014903308 /nfs/dbraw/zinc/90/33/08/1014903308.db2.gz DMFWOGCLBCZYPT-UHFFFAOYSA-N -1 3 379.807 3.527 20 0 GHADHM CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001596336076 983782338 /nfs/dbraw/zinc/78/23/38/983782338.db2.gz YYCFGRBIVAOUDR-UHFFFAOYSA-N -1 3 390.402 3.750 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000467966380 1015080062 /nfs/dbraw/zinc/08/00/62/1015080062.db2.gz ZXNSWVMZPNZKRN-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM Cc1ccc(F)cc1-c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000544846164 1015094451 /nfs/dbraw/zinc/09/44/51/1015094451.db2.gz QKKTUQWBXVWFHY-UHFFFAOYSA-N -1 3 393.415 3.677 20 0 GHADHM Cc1ccccc1Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000544901070 1015181029 /nfs/dbraw/zinc/18/10/29/1015181029.db2.gz DCFCIPJYRKFFOC-CYBMUJFWSA-N -1 3 391.880 3.662 20 0 GHADHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001594526062 986044585 /nfs/dbraw/zinc/04/45/85/986044585.db2.gz RFZMUXJPCAHJIQ-HNNXBMFYSA-N -1 3 390.430 3.738 20 0 GHADHM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001597016814 986386517 /nfs/dbraw/zinc/38/65/17/986386517.db2.gz KVIUKVDPCLXQIG-AUUYWEPGSA-N -1 3 385.464 3.596 20 0 GHADHM C[C@H]1CN(c2cccc3cnccc32)CCN1Cc1ccccc1CC(=O)[O-] ZINC001594576261 986416958 /nfs/dbraw/zinc/41/69/58/986416958.db2.gz VXTKYOWPRXDZGO-KRWDZBQOSA-N -1 3 375.472 3.573 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc(Cl)c1OC ZINC001597035365 986470918 /nfs/dbraw/zinc/47/09/18/986470918.db2.gz IGXXYAOOQXQYKU-QGZVFWFLSA-N -1 3 379.840 3.671 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001589439548 986775597 /nfs/dbraw/zinc/77/55/97/986775597.db2.gz YPOYYCNJSWGUCS-AOMKIAJQSA-N -1 3 382.460 3.993 20 0 GHADHM CSc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)cc1C(=O)[O-] ZINC001599818316 988466481 /nfs/dbraw/zinc/46/64/81/988466481.db2.gz QPUBCGDZKMMMSX-KRWDZBQOSA-N -1 3 399.516 3.811 20 0 GHADHM O=C([N-]c1cc(F)cc(Br)c1F)c1ncn(-c2ccccc2)n1 ZINC000468224825 1015446325 /nfs/dbraw/zinc/44/63/25/1015446325.db2.gz NSFHGCHLOAEGJK-UHFFFAOYSA-N -1 3 379.164 3.560 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1cc(C(=O)[O-])ccc1F)C2 ZINC001590216327 989588901 /nfs/dbraw/zinc/58/89/01/989588901.db2.gz RZDJUQPNWNOWPZ-KKSFZXQISA-N -1 3 392.471 3.651 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@H]1C1CC1 ZINC001590339702 989777471 /nfs/dbraw/zinc/77/74/71/989777471.db2.gz IDDWNURDYQJEOA-JKSUJKDBSA-N -1 3 379.884 3.838 20 0 GHADHM Cc1ccc(-n2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)cn2)c(C)c1 ZINC001154462853 1032118957 /nfs/dbraw/zinc/11/89/57/1032118957.db2.gz WWORPOOPQXRRSU-UHFFFAOYSA-N -1 3 394.381 3.861 20 0 GHADHM CN(C)[C@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)c1ccccc1 ZINC001598174098 990718716 /nfs/dbraw/zinc/71/87/16/990718716.db2.gz SAPORHKGPAYQNG-GOSISDBHSA-N -1 3 387.505 3.678 20 0 GHADHM CN(C)C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(Cl)cc1 ZINC001598203388 990830057 /nfs/dbraw/zinc/83/00/57/990830057.db2.gz UVOOWYROBSPZFT-AWEZNQCLSA-N -1 3 397.809 3.741 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598228610 990922495 /nfs/dbraw/zinc/92/24/95/990922495.db2.gz LXJXFFGVPPIOJM-VQTJNVASSA-N -1 3 399.466 3.610 20 0 GHADHM CN(C)Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1C(F)(F)F ZINC001598252966 991036406 /nfs/dbraw/zinc/03/64/06/991036406.db2.gz 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O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000576209560 1019988897 /nfs/dbraw/zinc/98/88/97/1019988897.db2.gz PYPDIXQVPXYFIC-JOCHJYFZSA-N -1 3 386.451 3.593 20 0 GHADHM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1[N-]C(=O)c1cnsn1 ZINC000047411954 1020008913 /nfs/dbraw/zinc/00/89/13/1020008913.db2.gz JMCQRHGLHHGDQL-UHFFFAOYSA-N -1 3 389.458 3.704 20 0 GHADHM CC[C@@H](C)c1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000626651326 1020472010 /nfs/dbraw/zinc/47/20/10/1020472010.db2.gz SPTKVJLIXOGNMR-MRXNPFEDSA-N -1 3 381.476 3.896 20 0 GHADHM CSCC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nnc2ccccn21 ZINC000190709008 1020716653 /nfs/dbraw/zinc/71/66/53/1020716653.db2.gz HIYYOVUAKAXCIE-CYBMUJFWSA-N -1 3 380.876 3.811 20 0 GHADHM CC[C@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)N1CCc2ccccc2C1 ZINC000634859875 1020960637 /nfs/dbraw/zinc/96/06/37/1020960637.db2.gz CBPRCJVVRQERAV-HXUWFJFHSA-N -1 3 386.536 3.755 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2[n-]nnc21)Nc1ccc(-c2ccccc2)cc1 ZINC000800259358 1021298863 /nfs/dbraw/zinc/29/88/63/1021298863.db2.gz LXAJZSNPQHNPRE-UHFFFAOYSA-N -1 3 390.374 3.560 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2nn[n-]c21)Nc1ccc(-c2ccccc2)cc1 ZINC000800259358 1021298874 /nfs/dbraw/zinc/29/88/74/1021298874.db2.gz LXAJZSNPQHNPRE-UHFFFAOYSA-N -1 3 390.374 3.560 20 0 GHADHM O=C(COC(=O)c1cc(F)cc2n[n-]nc21)Nc1ccc(-c2ccccc2)cc1 ZINC000800259358 1021298886 /nfs/dbraw/zinc/29/88/86/1021298886.db2.gz LXAJZSNPQHNPRE-UHFFFAOYSA-N -1 3 390.374 3.560 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccn2)Cc2ccncc2[O-])C1 ZINC001140281624 1021310097 /nfs/dbraw/zinc/31/00/97/1021310097.db2.gz FGZQMXLKDFAUKJ-IBGZPJMESA-N -1 3 398.507 3.584 20 0 GHADHM COc1ccccc1C[C@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001156305955 1032970044 /nfs/dbraw/zinc/97/00/44/1032970044.db2.gz HDVYJHIIXRMNTL-LBPRGKRZSA-N -1 3 391.493 3.860 20 0 GHADHM CC(C)OCc1ccccc1CNCc1cn(CC(=O)[O-])nc1-c1ccccc1 ZINC000902119931 1021481916 /nfs/dbraw/zinc/48/19/16/1021481916.db2.gz APQRAIBONQOVDN-UHFFFAOYSA-N -1 3 393.487 3.850 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2nc(CNCc3ccc([O-])c(F)c3)sc2C1 ZINC000835039315 1021797372 /nfs/dbraw/zinc/79/73/72/1021797372.db2.gz DBDRITAYGFRPIT-UHFFFAOYSA-N -1 3 393.484 3.571 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000677242540 1021807792 /nfs/dbraw/zinc/80/77/92/1021807792.db2.gz KQLVEMIUMPHNHG-IAOVAPTHSA-N -1 3 379.453 3.506 20 0 GHADHM Cc1[nH]c(CN(C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001140500058 1021873983 /nfs/dbraw/zinc/87/39/83/1021873983.db2.gz WSEVTZIZGYGNSY-OAHLLOKOSA-N -1 3 379.501 3.550 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001228624882 1033014416 /nfs/dbraw/zinc/01/44/16/1033014416.db2.gz LOQPKQQWCCVIAV-WBMJQRKESA-N -1 3 389.448 3.831 20 0 GHADHM COC(=O)[C@H]1CCN(Cc2cccc([O-])c2Br)[C@H]1c1ccccc1 ZINC001140555430 1021958543 /nfs/dbraw/zinc/95/85/43/1021958543.db2.gz IBEXULGYRHXTJH-YJBOKZPZSA-N -1 3 390.277 3.891 20 0 GHADHM COc1cccnc1O[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC001140555552 1021958812 /nfs/dbraw/zinc/95/88/12/1021958812.db2.gz NMIIDZAZVQAWNX-AWEZNQCLSA-N -1 3 393.281 3.602 20 0 GHADHM COc1cc(OC2CCN(Cc3cccc([O-])c3Br)CC2)ccn1 ZINC001140555691 1021959749 /nfs/dbraw/zinc/95/97/49/1021959749.db2.gz RVKPMRJBMNUXGI-UHFFFAOYSA-N -1 3 393.281 3.602 20 0 GHADHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cccc([O-])c1Br ZINC001140555752 1021959898 /nfs/dbraw/zinc/95/98/98/1021959898.db2.gz VFUYMMFQJICIEN-CQSZACIVSA-N -1 3 389.293 3.501 20 0 GHADHM O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000680224547 1022117926 /nfs/dbraw/zinc/11/79/26/1022117926.db2.gz ZIXFBBZGMQPZLO-UHFFFAOYSA-N -1 3 395.846 3.613 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228699019 1033052658 /nfs/dbraw/zinc/05/26/58/1033052658.db2.gz BSQPQMQIYJVRDM-KRWDZBQOSA-N -1 3 393.447 3.738 20 0 GHADHM CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000754267069 1022569132 /nfs/dbraw/zinc/56/91/32/1022569132.db2.gz IKBBZRKPBDWZRD-ZDUSSCGKSA-N -1 3 387.432 3.718 20 0 GHADHM COc1cc(C(=O)OCc2csc(Cc3ccccc3)n2)cc(OC)c1[O-] ZINC000754271018 1022572981 /nfs/dbraw/zinc/57/29/81/1022572981.db2.gz HHJPDVXXHKXQLR-UHFFFAOYSA-N -1 3 385.441 3.814 20 0 GHADHM COc1cc(C(=O)OCc2coc(-c3c(F)cccc3F)n2)cc(OC)c1[O-] ZINC000754276339 1022576697 /nfs/dbraw/zinc/57/66/97/1022576697.db2.gz NIAAIKVMKSOBRY-UHFFFAOYSA-N -1 3 391.326 3.700 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc(OC)c1[O-] ZINC000754274932 1022577103 /nfs/dbraw/zinc/57/71/03/1022577103.db2.gz DLPVVESFHLUYJV-ZDUSSCGKSA-N -1 3 398.415 3.994 20 0 GHADHM COc1cc(C(=O)OCc2csc(-c3ccsc3)n2)cc(OC)c1[O-] ZINC000754277424 1022578292 /nfs/dbraw/zinc/57/82/92/1022578292.db2.gz AMJRLYIVIIYWSC-UHFFFAOYSA-N -1 3 377.443 3.951 20 0 GHADHM COc1cc(C(=O)OCC(=O)c2cc(C)c(F)cc2Cl)cc(OC)c1[O-] ZINC000754280194 1022580896 /nfs/dbraw/zinc/58/08/96/1022580896.db2.gz LPMRTSYQTWUWMX-UHFFFAOYSA-N -1 3 382.771 3.550 20 0 GHADHM C[C@H](CON)Oc1cc([O-])cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 ZINC001228732169 1033067762 /nfs/dbraw/zinc/06/77/62/1033067762.db2.gz RTEPCBOHRBZZJF-LSDHHAIUSA-N -1 3 391.464 3.532 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000754495626 1022740044 /nfs/dbraw/zinc/74/00/44/1022740044.db2.gz HKXKTDZICRVDJD-UHFFFAOYSA-N -1 3 379.743 3.591 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2ccccc2OC)cc1 ZINC000836251433 1022773183 /nfs/dbraw/zinc/77/31/83/1022773183.db2.gz VXPABLMFDVTGFZ-UHFFFAOYSA-N -1 3 388.420 3.882 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000836251433 1022773196 /nfs/dbraw/zinc/77/31/96/1022773196.db2.gz VXPABLMFDVTGFZ-UHFFFAOYSA-N -1 3 388.420 3.882 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1ccc([O-])c(F)c1F ZINC001140892624 1022817589 /nfs/dbraw/zinc/81/75/89/1022817589.db2.gz UQMISNGRUJPUFS-FUHWJXTLSA-N -1 3 375.415 3.982 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccccc1N(C)Cc1ccccc1 ZINC000836347077 1022904164 /nfs/dbraw/zinc/90/41/64/1022904164.db2.gz YUPKXJCVMFRGCP-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000836347077 1022904169 /nfs/dbraw/zinc/90/41/69/1022904169.db2.gz YUPKXJCVMFRGCP-UHFFFAOYSA-N -1 3 385.464 3.718 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140988245 1023091827 /nfs/dbraw/zinc/09/18/27/1023091827.db2.gz TXWPNNHYEMNRKJ-FQEVSTJZSA-N -1 3 382.451 3.893 20 0 GHADHM O=C(c1ccsc1)N1CCC[C@@]2(CCN(Cc3cc(F)c([O-])c(F)c3)C2)C1 ZINC001140993442 1023115443 /nfs/dbraw/zinc/11/54/43/1023115443.db2.gz MKGNSWCMGGWINU-FQEVSTJZSA-N -1 3 392.471 3.860 20 0 GHADHM CN1C[C@@H](c2ccccc2)C2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)C1=O ZINC001140994132 1023116739 /nfs/dbraw/zinc/11/67/39/1023116739.db2.gz VUAGJCCBMITROR-KRWDZBQOSA-N -1 3 386.442 3.508 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000836597687 1023156929 /nfs/dbraw/zinc/15/69/29/1023156929.db2.gz GQTJQTUAUBJDOF-LLVKDONJSA-N -1 3 383.514 3.689 20 0 GHADHM COC(=O)CCCc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000755663337 1023328953 /nfs/dbraw/zinc/32/89/53/1023328953.db2.gz UFIHUKPOHXKYPO-UHFFFAOYSA-N -1 3 389.408 3.685 20 0 GHADHM CC(C)CN1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277333692 1033126351 /nfs/dbraw/zinc/12/63/51/1033126351.db2.gz RENCUEFAMAUQEC-UHFFFAOYSA-N -1 3 386.323 3.565 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228857739 1033138995 /nfs/dbraw/zinc/13/89/95/1033138995.db2.gz NRKYGIMVWHUGSN-RDTXWAMCSA-N -1 3 379.428 3.638 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(F)(F)c3nccs3)c2)n1 ZINC000756447050 1023654626 /nfs/dbraw/zinc/65/46/26/1023654626.db2.gz PEVPGSKEQWQMQA-UHFFFAOYSA-N -1 3 376.388 3.599 20 0 GHADHM C[C@@H]1Cc2cc(C(=O)Nc3ccc(I)cc3[O-])ccc2O1 ZINC001138176611 1024306913 /nfs/dbraw/zinc/30/69/13/1024306913.db2.gz MOHPKXZPSIMGJQ-SECBINFHSA-N -1 3 395.196 3.573 20 0 GHADHM COc1ccc(C(=O)CC(C)(C)CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837636175 1024601581 /nfs/dbraw/zinc/60/15/81/1024601581.db2.gz JUGYGGGJIRLSCS-UHFFFAOYSA-N -1 3 398.459 3.801 20 0 GHADHM O=C(NC1(Cc2ccccc2)CC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001138369562 1024732914 /nfs/dbraw/zinc/73/29/14/1024732914.db2.gz UHHFOFRLJKBGEA-UHFFFAOYSA-N -1 3 397.272 3.796 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1csc(NC2CCCCC2)n1 ZINC001141399121 1024884754 /nfs/dbraw/zinc/88/47/54/1024884754.db2.gz QHOLQHIAZANWEC-UHFFFAOYSA-N -1 3 394.522 3.512 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000838140812 1024942013 /nfs/dbraw/zinc/94/20/13/1024942013.db2.gz CBVJHNOYMMMEGS-NEPJUHHUSA-N -1 3 379.815 3.536 20 0 GHADHM Cc1cccc([O-])c1C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001141415625 1024949914 /nfs/dbraw/zinc/94/99/14/1024949914.db2.gz MAPNWIMIIRQNSI-UHFFFAOYSA-N -1 3 388.467 3.678 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)Nc1c([O-])cccc1Cl ZINC001141469064 1025148183 /nfs/dbraw/zinc/14/81/83/1025148183.db2.gz HQUSSDPCPXYQRJ-AWEZNQCLSA-N -1 3 391.855 3.515 20 0 GHADHM Cc1ccc(N2CCC[C@H](Oc3cc(O)cc([O-])c3Br)C2)nc1 ZINC001229097884 1033277930 /nfs/dbraw/zinc/27/79/30/1033277930.db2.gz YSXZXHQICPXQQK-ZDUSSCGKSA-N -1 3 379.254 3.612 20 0 GHADHM [O-]c1cc(O)cc(O[C@@H]2CCCN(Cc3ccccc3)C2)c1Br ZINC001229098643 1033278534 /nfs/dbraw/zinc/27/85/34/1033278534.db2.gz GLQMAFJJBMAKJF-OAHLLOKOSA-N -1 3 378.266 3.904 20 0 GHADHM CCOc1cc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc(Cl)c1[O-] ZINC000838859845 1025399761 /nfs/dbraw/zinc/39/97/61/1025399761.db2.gz OEHIIKPVDLQJFQ-HKUYNNGSSA-N -1 3 391.895 3.769 20 0 GHADHM O=c1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)nc(C2CC2)[n-]1 ZINC000838868560 1025406281 /nfs/dbraw/zinc/40/62/81/1025406281.db2.gz NMQKGUUILGANGF-LJQANCHMSA-N -1 3 381.501 3.857 20 0 GHADHM [O-]c1cc(O)cc(O[C@H]2CCN3Cc4ccccc4N=C23)c1Br ZINC001229097649 1033276873 /nfs/dbraw/zinc/27/68/73/1033276873.db2.gz VGDFCYITVATBTK-AWEZNQCLSA-N -1 3 375.222 3.557 20 0 GHADHM [O-]c1cccc(CN2CCC(Oc3ccc(F)nc3)CC2)c1Br ZINC000839059517 1025550108 /nfs/dbraw/zinc/55/01/08/1025550108.db2.gz WBHKBTSULAYCKH-UHFFFAOYSA-N -1 3 381.245 3.732 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000832502922 1025617737 /nfs/dbraw/zinc/61/77/37/1025617737.db2.gz RQLRRIMTRVUOQL-UHFFFAOYSA-N -1 3 384.358 3.706 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000832502922 1025617751 /nfs/dbraw/zinc/61/77/51/1025617751.db2.gz RQLRRIMTRVUOQL-UHFFFAOYSA-N -1 3 384.358 3.706 20 0 GHADHM O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1nnc2ccccc2c1[O-] ZINC001162133200 1025624203 /nfs/dbraw/zinc/62/42/03/1025624203.db2.gz GEVAMAHIWCRCSU-UHFFFAOYSA-N -1 3 393.790 3.823 20 0 GHADHM C[Si](C)(C)c1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001141621995 1025930278 /nfs/dbraw/zinc/93/02/78/1025930278.db2.gz DHKANYVBACWXBJ-UHFFFAOYSA-N -1 3 378.342 3.881 20 0 GHADHM O=C(C[C@@H]1CCc2sccc2C1=O)Nc1ccc(Br)cc1[O-] ZINC001141622661 1025930882 /nfs/dbraw/zinc/93/08/82/1025930882.db2.gz NHAZGCUCZPROLM-VIFPVBQESA-N -1 3 380.263 3.990 20 0 GHADHM CCOc1ccc(OCCCC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1 ZINC001162881015 1025951572 /nfs/dbraw/zinc/95/15/72/1025951572.db2.gz SGNPTBNBNMHDPA-UHFFFAOYSA-N -1 3 389.452 3.561 20 0 GHADHM CCOc1ccc(OCCCC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1 ZINC001162881015 1025951576 /nfs/dbraw/zinc/95/15/76/1025951576.db2.gz SGNPTBNBNMHDPA-UHFFFAOYSA-N -1 3 389.452 3.561 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2ccc(NCCc3ccccn3)cc2)c1[O-] ZINC001141651868 1026075622 /nfs/dbraw/zinc/07/56/22/1026075622.db2.gz XHCAIKVPWLPCNB-UHFFFAOYSA-N -1 3 375.428 3.897 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)C3(c4ccccc4)CCCCCC3)cc2n(C)c1=O ZINC001141698698 1026281758 /nfs/dbraw/zinc/28/17/58/1026281758.db2.gz PBYHBUDOGMTAIU-UHFFFAOYSA-N -1 3 393.487 3.813 20 0 GHADHM CC(C)CNC(=O)c1cc(Cl)nc([N-][C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001164181139 1026442384 /nfs/dbraw/zinc/44/23/84/1026442384.db2.gz VRSDLANMMBEWLI-ZDUSSCGKSA-N -1 3 387.793 3.626 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCOc2ccc(C(C)(C)C)cc2)n1 ZINC001164262471 1026467984 /nfs/dbraw/zinc/46/79/84/1026467984.db2.gz RJRHRPVYICAXIM-UHFFFAOYSA-N -1 3 385.508 3.999 20 0 GHADHM CCOC(=O)C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(F)(F)F ZINC001165515935 1026751545 /nfs/dbraw/zinc/75/15/45/1026751545.db2.gz XXADIMZSLRVWCI-MRXNPFEDSA-N -1 3 397.349 3.798 20 0 GHADHM Cc1nn(CCNc2[n-]c(=O)c(Cl)cc2Cl)c(C)c1Br ZINC001166529017 1027021798 /nfs/dbraw/zinc/02/17/98/1027021798.db2.gz QQPULODTLAHMFT-UHFFFAOYSA-N -1 3 380.073 3.782 20 0 GHADHM O=C(N[C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc([O-])cc(Br)c1 ZINC001166925024 1027156355 /nfs/dbraw/zinc/15/63/55/1027156355.db2.gz CJXXNFUZTUJOTL-OAHLLOKOSA-N -1 3 390.212 3.536 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1Oc1ccccn1)c1nc(C(F)(F)F)n[n-]1 ZINC001209878362 1027257998 /nfs/dbraw/zinc/25/79/98/1027257998.db2.gz IWHXMQZCODLZEQ-SNVBAGLBSA-N -1 3 392.341 3.894 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F ZINC001209993479 1027305496 /nfs/dbraw/zinc/30/54/96/1027305496.db2.gz XGUCBIWGSOVUPB-GFCCVEGCSA-N -1 3 398.670 3.798 20 0 GHADHM O=S(=O)(C[C@@H]1CC2(CCC2)CO1)[N-]C(c1cccs1)c1cccs1 ZINC001210009937 1027312771 /nfs/dbraw/zinc/31/27/71/1027312771.db2.gz HDWHXLMLCSDBHS-ZDUSSCGKSA-N -1 3 383.560 3.778 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(Cl)cc2)c(F)cc1F ZINC001210152530 1027361599 /nfs/dbraw/zinc/36/15/99/1027361599.db2.gz YGFGZECZDNTHSG-LLVKDONJSA-N -1 3 375.824 3.672 20 0 GHADHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001210894825 1027697960 /nfs/dbraw/zinc/69/79/60/1027697960.db2.gz UMDCXQPZBKUUDJ-UHFFFAOYSA-N -1 3 388.514 3.996 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)c3ccccc32)s1 ZINC001211011686 1027751248 /nfs/dbraw/zinc/75/12/48/1027751248.db2.gz XMUXRTUNBVDNRS-ZDUSSCGKSA-N -1 3 393.530 3.668 20 0 GHADHM CCOc1cc(-c2noc([C@H]3C[C@H](C)CCN3)n2)cc(Br)c1[O-] ZINC000840994097 1028027616 /nfs/dbraw/zinc/02/76/16/1028027616.db2.gz PSZFOCOVMGZCCT-BXKDBHETSA-N -1 3 382.258 3.664 20 0 GHADHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001213401771 1028166124 /nfs/dbraw/zinc/16/61/24/1028166124.db2.gz JQJSXMUOLGOIQJ-GFCCVEGCSA-N -1 3 382.309 3.512 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001213405310 1028169069 /nfs/dbraw/zinc/16/90/69/1028169069.db2.gz QSKRVQSUALATJR-YOEHRIQHSA-N -1 3 396.915 3.668 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC001213444790 1028197088 /nfs/dbraw/zinc/19/70/88/1028197088.db2.gz SEEVJEDHFLLMJD-GXSJLCMTSA-N -1 3 388.333 3.523 20 0 GHADHM Fc1cc(I)ccc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213500600 1028229923 /nfs/dbraw/zinc/22/99/23/1028229923.db2.gz KURGZMYMTVEBGA-UHFFFAOYSA-N -1 3 390.543 3.524 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(CC2CC2)CC1 ZINC001213556072 1028263943 /nfs/dbraw/zinc/26/39/43/1028263943.db2.gz RATABEVAIPPMOA-UHFFFAOYSA-N -1 3 379.503 3.547 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(C)c(I)c3)no2)n1 ZINC001213699285 1028337982 /nfs/dbraw/zinc/33/79/82/1028337982.db2.gz BELNNNPNEQAZQQ-UHFFFAOYSA-N -1 3 393.184 3.726 20 0 GHADHM Cc1ccc([O-])c(-c2nc(-c3ccc([C@H]4CCc5cncn54)c(F)c3)no2)n1 ZINC001213699275 1028338215 /nfs/dbraw/zinc/33/82/15/1028338215.db2.gz ASAAEUIWOPZENH-MRXNPFEDSA-N -1 3 377.379 3.684 20 0 GHADHM CCOc1ccc(-c2noc(-c3nc(C)ccc3[O-])n2)cc1Br ZINC001213699770 1028339163 /nfs/dbraw/zinc/33/91/63/1028339163.db2.gz WDMIVLREIZPMIA-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc(C(F)(F)F)cnc1C ZINC001213835434 1028399369 /nfs/dbraw/zinc/39/93/69/1028399369.db2.gz WXZHRIYGOYQRND-UHFFFAOYSA-N -1 3 384.383 3.770 20 0 GHADHM COC(=O)N=C([S-])N(c1ccccc1N)c1cc(C(F)(F)F)cnc1C ZINC001213835434 1028399389 /nfs/dbraw/zinc/39/93/89/1028399389.db2.gz WXZHRIYGOYQRND-UHFFFAOYSA-N -1 3 384.383 3.770 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)c(OC)c3)no2)[n-]1 ZINC001213974868 1028483709 /nfs/dbraw/zinc/48/37/09/1028483709.db2.gz FKRARUUSLMGJGX-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1cc(C(F)(F)F)ccc1F ZINC001213988752 1028497016 /nfs/dbraw/zinc/49/70/16/1028497016.db2.gz NOKLRMOPBKZHRA-CYBMUJFWSA-N -1 3 393.789 3.944 20 0 GHADHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001142258505 1028508290 /nfs/dbraw/zinc/50/82/90/1028508290.db2.gz HSIYOUFKKJKOOG-SPLOXXLWSA-N -1 3 398.409 3.704 20 0 GHADHM O=C([O-])CCCCCCCNCc1ccc(F)cc1I ZINC000841795975 1028942109 /nfs/dbraw/zinc/94/21/09/1028942109.db2.gz YQWACTURZIXKCE-UHFFFAOYSA-N -1 3 393.240 3.945 20 0 GHADHM Cc1cc(C)cc(-n2ncc(CN[C@H](C(=O)[O-])C(C3CCC3)C3CCC3)n2)c1 ZINC000841817692 1028964597 /nfs/dbraw/zinc/96/45/97/1028964597.db2.gz KPTRZFPWHMTXSD-NRFANRHFSA-N -1 3 382.508 3.643 20 0 GHADHM O=C(Cc1csc2ccccc12)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001142499525 1028998661 /nfs/dbraw/zinc/99/86/61/1028998661.db2.gz QFGKGVFRHIYQMG-UHFFFAOYSA-N -1 3 376.441 3.626 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cc(OC)ccc3Br)no2)c1 ZINC001215155354 1029065318 /nfs/dbraw/zinc/06/53/18/1029065318.db2.gz KFBFPNAVTZONOF-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM CN1C(=O)CC2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)c2ccccc21 ZINC001142653888 1029211961 /nfs/dbraw/zinc/21/19/61/1029211961.db2.gz RSUDHDSDXVJGAL-UHFFFAOYSA-N -1 3 398.890 3.939 20 0 GHADHM CCOC(=O)c1cc(Nc2cc(F)c([O-])cc2F)n(Cc2ccccc2F)n1 ZINC001215572197 1029289208 /nfs/dbraw/zinc/28/92/08/1029289208.db2.gz PQWNREYNYCQHPD-UHFFFAOYSA-N -1 3 391.349 3.975 20 0 GHADHM O=c1[n-]cnc(Nc2cccc(CN3CCCCC3)c2F)c1Br ZINC001215675643 1029341407 /nfs/dbraw/zinc/34/14/07/1029341407.db2.gz NFXSXYRGCUEFEY-UHFFFAOYSA-N -1 3 381.249 3.813 20 0 GHADHM CCCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cnn1C1CCCC1 ZINC001142905392 1029667737 /nfs/dbraw/zinc/66/77/37/1029667737.db2.gz DJZZWJFASFJWII-UHFFFAOYSA-N -1 3 387.484 3.881 20 0 GHADHM CCCc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cnn1C1CCCC1 ZINC001142905392 1029667744 /nfs/dbraw/zinc/66/77/44/1029667744.db2.gz DJZZWJFASFJWII-UHFFFAOYSA-N -1 3 387.484 3.881 20 0 GHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001222224793 1030020752 /nfs/dbraw/zinc/02/07/52/1030020752.db2.gz WYDWGUNUOSGXDR-CQSZACIVSA-N -1 3 387.238 3.713 20 0 GHADHM CCOc1cccc(-c2nc(-c3ncc(Br)cc3C)no2)c1[O-] ZINC001216958257 1030031179 /nfs/dbraw/zinc/03/11/79/1030031179.db2.gz DLLMSWQVNZPVDO-UHFFFAOYSA-N -1 3 376.210 3.974 20 0 GHADHM CCOC(=O)CN(Cc1ccsc1)C(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149196682 1030087624 /nfs/dbraw/zinc/08/76/24/1030087624.db2.gz LZPGZAIWOJOTCY-UHFFFAOYSA-N -1 3 384.457 3.516 20 0 GHADHM CCCCO[C@H]1C[C@@H](NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1(C)C ZINC001149202113 1030090030 /nfs/dbraw/zinc/09/00/30/1030090030.db2.gz HUZNYYNUGXNEHV-SJORKVTESA-N -1 3 378.419 3.520 20 0 GHADHM COc1c(C)cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)c(F)c3)n2)cc1C ZINC001217018063 1030093921 /nfs/dbraw/zinc/09/39/21/1030093921.db2.gz JXGQSZDUKOTUAK-UHFFFAOYSA-N -1 3 391.424 3.540 20 0 GHADHM COc1ccc(-c2noc(-c3cc([O-])cc(I)c3)n2)cc1 ZINC001217065746 1030139068 /nfs/dbraw/zinc/13/90/68/1030139068.db2.gz MIAJAAKLYPVOFE-UHFFFAOYSA-N -1 3 394.168 3.722 20 0 GHADHM COc1cc([O-])ccc1-c1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)no1 ZINC001217085963 1030152648 /nfs/dbraw/zinc/15/26/48/1030152648.db2.gz WYRYSXUFDLBHGS-UHFFFAOYSA-N -1 3 378.388 3.621 20 0 GHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cnn2c1nc(C)cc2C ZINC001149578709 1030232603 /nfs/dbraw/zinc/23/26/03/1030232603.db2.gz MZDHHYWRJYMINN-UHFFFAOYSA-N -1 3 398.806 3.785 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2c(C)ccnc2OC)no1 ZINC001217299232 1030292083 /nfs/dbraw/zinc/29/20/83/1030292083.db2.gz RRWIVQOJONUYMJ-UHFFFAOYSA-N -1 3 378.388 3.774 20 0 GHADHM Cc1cc(C)n(-c2ccc(-c3noc(-c4[n-]nc5c4cccc5F)n3)cn2)n1 ZINC001217323771 1030310489 /nfs/dbraw/zinc/31/04/89/1030310489.db2.gz YCSIUTCDQFBRNH-UHFFFAOYSA-N -1 3 375.367 3.617 20 0 GHADHM Cc1cc(Br)cc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)c1 ZINC001217355900 1030332856 /nfs/dbraw/zinc/33/28/56/1030332856.db2.gz ZPGXQJWSUPZQLB-UHFFFAOYSA-N -1 3 384.189 3.609 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cccc(C(F)(F)F)c3F)no2)C1=O ZINC001217355882 1030333544 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GHADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1cc2occc2s1 ZINC001150207848 1030451118 /nfs/dbraw/zinc/45/11/18/1030451118.db2.gz UAYAGUDCQWRQAP-UHFFFAOYSA-N -1 3 390.222 3.689 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OC2CCCC2)nc1 ZINC001150395918 1030516990 /nfs/dbraw/zinc/51/69/90/1030516990.db2.gz XIQQLFFGPUUFLW-UHFFFAOYSA-N -1 3 391.265 3.801 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001217636899 1030560055 /nfs/dbraw/zinc/56/00/55/1030560055.db2.gz LPXBJZIJDAKRFP-UHFFFAOYSA-N -1 3 390.733 3.998 20 0 GHADHM Cc1cc(CN(C)C)cc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1 ZINC001151012976 1030743940 /nfs/dbraw/zinc/74/39/40/1030743940.db2.gz WWKOZVPPPJSDQG-UHFFFAOYSA-N -1 3 382.439 3.648 20 0 GHADHM C[C@H](CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1 ZINC001151185789 1030797983 /nfs/dbraw/zinc/79/79/83/1030797983.db2.gz RYDIBLFKWKPJSV-KBPBESRZSA-N -1 3 384.904 3.870 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC001152301562 1031181131 /nfs/dbraw/zinc/18/11/31/1031181131.db2.gz BILDYVCQBRBVGB-UHFFFAOYSA-N -1 3 379.347 3.600 20 0 GHADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001152651067 1031315898 /nfs/dbraw/zinc/31/58/98/1031315898.db2.gz GZDVWJYDIVCVMQ-UHFFFAOYSA-N -1 3 386.373 3.698 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)cc1OC(F)F ZINC001153407270 1031577213 /nfs/dbraw/zinc/57/72/13/1031577213.db2.gz BEARVPPWPKQRED-SECBINFHSA-N -1 3 377.322 3.567 20 0 GHADHM COCc1cc(O[C@H]2CCOc3ccc(Br)cc32)[n-]c(=S)n1 ZINC001225933034 1031701953 /nfs/dbraw/zinc/70/19/53/1031701953.db2.gz OHZQGZFIXDBBJD-ZDUSSCGKSA-N -1 3 383.267 3.577 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)OC(C)(C)C)c1 ZINC001225999565 1031735065 /nfs/dbraw/zinc/73/50/65/1031735065.db2.gz YAONYAXNPMGNAX-BODMPHMZSA-N -1 3 379.428 3.852 20 0 GHADHM O=C(Nc1ccc(C(F)F)nc1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153873983 1031785667 /nfs/dbraw/zinc/78/56/67/1031785667.db2.gz MXQLBBWBYUXXGY-UHFFFAOYSA-N -1 3 394.175 3.876 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)[nH]c21 ZINC001153963342 1031841625 /nfs/dbraw/zinc/84/16/25/1031841625.db2.gz WZOHTSWIZBFTPV-UHFFFAOYSA-N -1 3 388.147 3.628 20 0 GHADHM Cc1cc(Br)cc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)[nH]c21 ZINC001153963342 1031841642 /nfs/dbraw/zinc/84/16/42/1031841642.db2.gz WZOHTSWIZBFTPV-UHFFFAOYSA-N -1 3 388.147 3.628 20 0 GHADHM CC1(C)NC(=O)Nc2ccc(NC(=O)c3c([O-])cc4ccccc4c3O)cc21 ZINC001154027775 1031884885 /nfs/dbraw/zinc/88/48/85/1031884885.db2.gz AMDUWCGTCFOFIJ-UHFFFAOYSA-N -1 3 377.400 3.874 20 0 GHADHM COc1cccc2c1SC[C@@H](NC(=O)c1c(O)cc3ccccc3c1[O-])C2 ZINC001154030287 1031886339 /nfs/dbraw/zinc/88/63/39/1031886339.db2.gz NUJJZQTXDNOCPH-AWEZNQCLSA-N -1 3 381.453 3.706 20 0 GHADHM S=c1nc2c(c(O[C@H]3CCOc4ccc(Br)cc43)[n-]1)CCC2 ZINC001226297004 1031906071 /nfs/dbraw/zinc/90/60/71/1031906071.db2.gz GXDCLQWGRJSBIG-AWEZNQCLSA-N -1 3 379.279 3.919 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1[O-] ZINC001154130649 1031943139 /nfs/dbraw/zinc/94/31/39/1031943139.db2.gz CKAWLZIOJOXEPR-UHFFFAOYSA-N -1 3 386.448 3.856 20 0 GHADHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1ccc2c(c1)Cc1cc(N)ccc1-2 ZINC001154147220 1031951283 /nfs/dbraw/zinc/95/12/83/1031951283.db2.gz QRJWFHIUTXXCOZ-UHFFFAOYSA-N -1 3 398.422 3.755 20 0 GHADHM COC(=O)c1cccc2c(C(=O)Nc3ccc4c(c3)Cc3cc(N)ccc3-4)n[n-]c21 ZINC001154147220 1031951295 /nfs/dbraw/zinc/95/12/95/1031951295.db2.gz QRJWFHIUTXXCOZ-UHFFFAOYSA-N -1 3 398.422 3.755 20 0 GHADHM CC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1cc(OC)c(OC)c(OC)c1 ZINC001226485516 1031976469 /nfs/dbraw/zinc/97/64/69/1031976469.db2.gz OTKZUITYMTUVJY-HNNXBMFYSA-N -1 3 376.405 3.856 20 0 GHADHM COC[C@@H](C)OC[C@@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492435 1031981438 /nfs/dbraw/zinc/98/14/38/1031981438.db2.gz WZVQBMYSQIOPFD-HUUCEWRRSA-N -1 3 384.428 3.984 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1c([O-])ccc3ccc(=O)oc31)C2 ZINC001226595632 1032030644 /nfs/dbraw/zinc/03/06/44/1032030644.db2.gz GRXREYDGJWZJSJ-CQSZACIVSA-N -1 3 387.432 3.667 20 0 GHADHM O=c1ccc2ccc([O-])c(O[C@H]3CCN(Cc4ccccc4)CC3(F)F)c2o1 ZINC001226598255 1032033750 /nfs/dbraw/zinc/03/37/50/1032033750.db2.gz CLKKHNHWQKDKHG-KRWDZBQOSA-N -1 3 387.382 3.787 20 0 GHADHM O=c1ccc2ccc([O-])c(O[C@H]3COc4c3cccc4Br)c2o1 ZINC001226600635 1032036981 /nfs/dbraw/zinc/03/69/81/1032036981.db2.gz ZRXIAHKORZPUNG-ZDUSSCGKSA-N -1 3 375.174 3.774 20 0 GHADHM Cc1cnc(F)c([C@H](C)Oc2nc(=O)[n-]c3c2CN(Cc2ccccc2)CC3)c1 ZINC001226616016 1032046857 /nfs/dbraw/zinc/04/68/57/1032046857.db2.gz RSQANCXBGQFXCN-HNNXBMFYSA-N -1 3 394.450 3.723 20 0 GHADHM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(F)cc2n[n-]nc21 ZINC001156948515 1033334273 /nfs/dbraw/zinc/33/42/73/1033334273.db2.gz QOXOTGNNKNLCTP-LLVKDONJSA-N -1 3 381.194 3.657 20 0 GHADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC[C@H](C)OC[C@H](C)OC)c1 ZINC001229810536 1033733106 /nfs/dbraw/zinc/73/31/06/1033733106.db2.gz JJVJMFBGSGLJCZ-KBPBESRZSA-N -1 3 376.449 3.884 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)n1 ZINC001158346421 1034036584 /nfs/dbraw/zinc/03/65/84/1034036584.db2.gz WTGJIBASPDAYNY-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM CC(C)(C)Oc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)n1 ZINC001158346421 1034036603 /nfs/dbraw/zinc/03/66/03/1034036603.db2.gz WTGJIBASPDAYNY-UHFFFAOYSA-N -1 3 394.431 3.591 20 0 GHADHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1cccc(Cl)c1 ZINC001230885484 1034270675 /nfs/dbraw/zinc/27/06/75/1034270675.db2.gz LLHCEBHHWLYVIN-AWEZNQCLSA-N -1 3 379.199 3.935 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231075750 1034380618 /nfs/dbraw/zinc/38/06/18/1034380618.db2.gz HBIPJAYIJBOMSN-FZMZJTMJSA-N -1 3 395.406 3.591 20 0 GHADHM C[C@H]1C[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)CCN1C(=O)OC(C)(C)C ZINC001231076752 1034381185 /nfs/dbraw/zinc/38/11/85/1034381185.db2.gz PFLYRMLWMUJJGY-NWDGAFQWSA-N -1 3 377.416 3.641 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1F ZINC001231461831 1034606681 /nfs/dbraw/zinc/60/66/81/1034606681.db2.gz WVHOMXPTCOPMIV-FUCXHRTASA-N -1 3 392.471 3.792 20 0 GHADHM O=C([O-])c1ccc(CN2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)s1 ZINC001231462616 1034608855 /nfs/dbraw/zinc/60/88/55/1034608855.db2.gz BKSKYINDZWPEHP-OXJNMPFZSA-N -1 3 379.522 3.777 20 0 GHADHM CCOC[C@H]1CN(Cc2ccc([O-])c(C(F)(F)F)c2)Cc2cnn(CC)c21 ZINC001231522199 1034673209 /nfs/dbraw/zinc/67/32/09/1034673209.db2.gz NMDVQCUSMRZLRD-OAHLLOKOSA-N -1 3 383.414 3.763 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC12CC2 ZINC001231522646 1034674021 /nfs/dbraw/zinc/67/40/21/1034674021.db2.gz JLOHCIZCZDVSQH-UHFFFAOYSA-N -1 3 386.414 3.996 20 0 GHADHM O=C(c1cccc(F)c1)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231524486 1034676763 /nfs/dbraw/zinc/67/67/63/1034676763.db2.gz LKZVBAGJQAOENI-UHFFFAOYSA-N -1 3 382.357 3.508 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)cc1F ZINC001208040194 1034713719 /nfs/dbraw/zinc/71/37/19/1034713719.db2.gz DOVGXNGKWXIUPN-UHFFFAOYSA-N -1 3 393.864 3.697 20 0 GHADHM CC(C)c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001208134072 1034751582 /nfs/dbraw/zinc/75/15/82/1034751582.db2.gz ZPQNUUTYMCGHQO-UHFFFAOYSA-N -1 3 379.869 3.521 20 0 GHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1ccsc1 ZINC001208334433 1034862014 /nfs/dbraw/zinc/86/20/14/1034862014.db2.gz FRFALKRIIDBDCO-HNNXBMFYSA-N -1 3 390.933 3.902 20 0 GHADHM [O-]c1cc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)ccc1Cl ZINC001231736381 1034870717 /nfs/dbraw/zinc/87/07/17/1034870717.db2.gz GFZJHLNEWGYREZ-SFHVURJKSA-N -1 3 394.853 3.573 20 0 GHADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1nccn1-c1ccccc1 ZINC001160259324 1034921396 /nfs/dbraw/zinc/92/13/96/1034921396.db2.gz NRUSFQXSSBMJBE-LBPRGKRZSA-N -1 3 386.249 3.831 20 0 GHADHM COc1ncc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCCC2)s1 ZINC001208522236 1034923192 /nfs/dbraw/zinc/92/31/92/1034923192.db2.gz WZPWUFZWGNOPIR-UHFFFAOYSA-N -1 3 386.926 3.595 20 0 GHADHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001208854255 1035059228 /nfs/dbraw/zinc/05/92/28/1035059228.db2.gz BJILRBKVBGJKPJ-GFCCVEGCSA-N -1 3 386.286 3.806 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3nc(-c4cccc(O)c4)cs3)c(=O)c2c1 ZINC001160860382 1035080856 /nfs/dbraw/zinc/08/08/56/1035080856.db2.gz GKLHFMLZDDAXDL-UHFFFAOYSA-N -1 3 377.425 3.918 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948821 1035102016 /nfs/dbraw/zinc/10/20/16/1035102016.db2.gz PHETVUBNWOOKPH-HZPDHXFCSA-N -1 3 388.258 3.840 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001160948821 1035102022 /nfs/dbraw/zinc/10/20/22/1035102022.db2.gz PHETVUBNWOOKPH-HZPDHXFCSA-N -1 3 388.258 3.840 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cc3nnn[n-]3)c2)ccc1C(C)C ZINC001160949388 1035102177 /nfs/dbraw/zinc/10/21/77/1035102177.db2.gz WWJQIGNVKJFXLF-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cc3nn[n-]n3)c2)ccc1C(C)C ZINC001160949388 1035102183 /nfs/dbraw/zinc/10/21/83/1035102183.db2.gz WWJQIGNVKJFXLF-OAHLLOKOSA-N -1 3 379.464 3.628 20 0 GHADHM C[C@H](c1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1)C(F)(F)F ZINC001160955542 1035104118 /nfs/dbraw/zinc/10/41/18/1035104118.db2.gz XVSLZYSVCKDHFH-LLVKDONJSA-N -1 3 375.354 3.709 20 0 GHADHM C[C@H](c1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1)C(F)(F)F ZINC001160955542 1035104122 /nfs/dbraw/zinc/10/41/22/1035104122.db2.gz XVSLZYSVCKDHFH-LLVKDONJSA-N -1 3 375.354 3.709 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001209289656 1035232665 /nfs/dbraw/zinc/23/26/65/1035232665.db2.gz WKPMATCBFICEJZ-SNVBAGLBSA-N -1 3 378.441 3.634 20 0 GHADHM CCCCCC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001209428798 1035272812 /nfs/dbraw/zinc/27/28/12/1035272812.db2.gz HFLLMWOTXLYHDL-HNNXBMFYSA-N -1 3 381.947 3.972 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)CCC2CCCCC2)c1 ZINC001209620344 1035332613 /nfs/dbraw/zinc/33/26/13/1035332613.db2.gz HSBHIUZFQXKGNR-AWEZNQCLSA-N -1 3 385.501 3.948 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC001209652794 1035343421 /nfs/dbraw/zinc/34/34/21/1035343421.db2.gz VPRYESLFTQNCQE-KRWDZBQOSA-N -1 3 399.871 3.941 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001209665027 1035348308 /nfs/dbraw/zinc/34/83/08/1035348308.db2.gz YUKZIUDUGVFHSK-MGPQQGTHSA-N -1 3 393.530 3.935 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461976088 1069924747 /nfs/dbraw/zinc/92/47/47/1069924747.db2.gz GJRPRAXJZMJJJD-UHFFFAOYSA-N -1 3 397.475 3.613 20 0 GHADHM O=C(OC1CCC1)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1OC1CCC1 ZINC001241443066 1035582530 /nfs/dbraw/zinc/58/25/30/1035582530.db2.gz LWJMCDCPWNXSAP-UHFFFAOYSA-N -1 3 391.431 3.569 20 0 GHADHM O=C(OC1CCC1)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1OC1CCC1 ZINC001241443066 1035582543 /nfs/dbraw/zinc/58/25/43/1035582543.db2.gz LWJMCDCPWNXSAP-UHFFFAOYSA-N -1 3 391.431 3.569 20 0 GHADHM CC[C@@H]1C(=O)N(C)c2cnc(-c3cc([O-])cc(C(F)(F)F)c3)nc2N1C(C)C ZINC001242779925 1035958383 /nfs/dbraw/zinc/95/83/83/1035958383.db2.gz CGHVHQUYJKFWNP-CQSZACIVSA-N -1 3 394.397 3.838 20 0 GHADHM COc1ccc(-n2cc(-c3ccc(OC(F)(F)F)cc3[O-])ncc2=O)cc1 ZINC001244466649 1036515338 /nfs/dbraw/zinc/51/53/38/1036515338.db2.gz BSCOZEAYYKRDMI-UHFFFAOYSA-N -1 3 378.306 3.512 20 0 GHADHM O=C([O-])c1cc(-c2cncc([C@H]3CN4CCC3CC4)n2)c(Cl)cc1Cl ZINC001245001169 1036729276 /nfs/dbraw/zinc/72/92/76/1036729276.db2.gz QLPHLLIZRAENMP-ZDUSSCGKSA-N -1 3 378.259 3.958 20 0 GHADHM COc1ccc(OC)c(NC(=S)NCc2cc(Cl)c([O-])c(OC)c2)c1 ZINC001245725476 1036982705 /nfs/dbraw/zinc/98/27/05/1036982705.db2.gz NQMWLAHIYUSCOH-UHFFFAOYSA-N -1 3 382.869 3.558 20 0 GHADHM COc1cc(Cl)c(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)cc1OC ZINC001247265905 1038045343 /nfs/dbraw/zinc/04/53/43/1038045343.db2.gz URXMZDSJJGTCQD-UHFFFAOYSA-N -1 3 395.202 3.708 20 0 GHADHM [O-]c1cccc(CN2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1Cl ZINC001232787852 1038554974 /nfs/dbraw/zinc/55/49/74/1038554974.db2.gz SUDDHLOLNXYBON-QWFCFKBJSA-N -1 3 388.895 3.779 20 0 GHADHM CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232936543 1038716959 /nfs/dbraw/zinc/71/69/59/1038716959.db2.gz SSQXJCRVEUQNAJ-KRWDZBQOSA-N -1 3 386.442 3.651 20 0 GHADHM CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ncc1[O-] ZINC001233040089 1038796797 /nfs/dbraw/zinc/79/67/97/1038796797.db2.gz JASBLVPVIYUXSO-LQDVMPOASA-N -1 3 381.904 3.708 20 0 GHADHM [O-]c1cnc(Cl)cc1CN1CC[C@@H](Oc2cccc(Br)c2)C1 ZINC001233041445 1038798568 /nfs/dbraw/zinc/79/85/68/1038798568.db2.gz WXRIJQSBLSWZOK-CQSZACIVSA-N -1 3 383.673 3.856 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc([O-])c2F)C[C@@H]1C(F)(F)F ZINC001233054118 1038811456 /nfs/dbraw/zinc/81/14/56/1038811456.db2.gz CPSHORFDJIYBAT-QWHCGFSZSA-N -1 3 392.393 3.809 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1cccc([O-])c1F ZINC001233054882 1038815894 /nfs/dbraw/zinc/81/58/94/1038815894.db2.gz CSOISCRYFAEZHH-SFHVURJKSA-N -1 3 386.467 3.983 20 0 GHADHM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2F)C[C@@H]1C(F)(F)F ZINC001233055029 1038816969 /nfs/dbraw/zinc/81/69/69/1038816969.db2.gz KBDOWYCXXPVILJ-CYBMUJFWSA-N -1 3 378.366 3.515 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C)cc2)c1Br ZINC001252198555 1038902463 /nfs/dbraw/zinc/90/24/63/1038902463.db2.gz ORXTUXZIOALFNE-UHFFFAOYSA-N -1 3 398.278 3.770 20 0 GHADHM COc1ccc(CN2CCN(c3ccc(Cl)cc3)C(=O)C2)c(Cl)c1[O-] ZINC001233401679 1039243435 /nfs/dbraw/zinc/24/34/35/1039243435.db2.gz KCYGIFPCCNYBDF-UHFFFAOYSA-N -1 3 381.259 3.556 20 0 GHADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233591942 1039463475 /nfs/dbraw/zinc/46/34/75/1039463475.db2.gz IKKYFKZCULZWGH-VQIMIIECSA-N -1 3 383.872 3.901 20 0 GHADHM CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNc2cc(F)c([O-])c(F)c2)cc1 ZINC001253425731 1039621948 /nfs/dbraw/zinc/62/19/48/1039621948.db2.gz LBRHZYBVDAVYPD-HNNXBMFYSA-N -1 3 379.403 3.598 20 0 GHADHM COc1cc(OC)cc(-c2nnc(-c3cc([O-])cc(Br)c3)o2)c1 ZINC001253916952 1039899060 /nfs/dbraw/zinc/89/90/60/1039899060.db2.gz FCGQEXUFPFHTME-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001254041120 1039970410 /nfs/dbraw/zinc/97/04/10/1039970410.db2.gz YBVVEXKAHMGJBQ-UHFFFAOYSA-N -1 3 394.302 3.968 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1Cl ZINC001254044986 1039972724 /nfs/dbraw/zinc/97/27/24/1039972724.db2.gz MUKLDEZKDZCJHD-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC001254289999 1040140413 /nfs/dbraw/zinc/14/04/13/1040140413.db2.gz FRROAXPTGBFOJW-UHFFFAOYSA-N -1 3 391.342 3.822 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(=O)[n-]cn2)ccc1Sc1ccccc1 ZINC001546131560 1070248952 /nfs/dbraw/zinc/24/89/52/1070248952.db2.gz DPIYCODKQQUTJR-UHFFFAOYSA-N -1 3 395.440 3.762 20 0 GHADHM COc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)[n-]1 ZINC001254313275 1040166913 /nfs/dbraw/zinc/16/69/13/1040166913.db2.gz IYWYWZIAWQFOTH-UHFFFAOYSA-N -1 3 379.351 3.527 20 0 GHADHM COc1nc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)n[n-]1 ZINC001254313275 1040166918 /nfs/dbraw/zinc/16/69/18/1040166918.db2.gz IYWYWZIAWQFOTH-UHFFFAOYSA-N -1 3 379.351 3.527 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)n1 ZINC001254313275 1040166925 /nfs/dbraw/zinc/16/69/25/1040166925.db2.gz IYWYWZIAWQFOTH-UHFFFAOYSA-N -1 3 379.351 3.527 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(CC(Oc3nc[n-]c(=O)c3-c3ccccc3)C2)C1 ZINC001234689262 1040222691 /nfs/dbraw/zinc/22/26/91/1040222691.db2.gz PNCUOYULSQCMOX-UHFFFAOYSA-N -1 3 383.448 3.628 20 0 GHADHM CCN(CC)C(=O)[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1 ZINC001234691959 1040224149 /nfs/dbraw/zinc/22/41/49/1040224149.db2.gz LKUOMUGPMOBCOW-IBGZPJMESA-N -1 3 377.444 3.838 20 0 GHADHM COc1c([O-])cc2c(c1OC1CN(C(C)(C)C)C1)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759053 1040288674 /nfs/dbraw/zinc/28/86/74/1040288674.db2.gz MIAZGBCXGIUATH-SFHVURJKSA-N -1 3 397.471 3.969 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCOC[C@H]1C)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234762904 1040291241 /nfs/dbraw/zinc/29/12/41/1040291241.db2.gz SHUZRPKEJJNEJO-BVGQSLNGSA-N -1 3 384.428 3.911 20 0 GHADHM COc1c([O-])cc2c(c1O[C@H]1CCOC[C@H]1F)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234763748 1040292855 /nfs/dbraw/zinc/29/28/55/1040292855.db2.gz XUOWDRGORWPTML-COXVUDFISA-N -1 3 388.391 3.613 20 0 GHADHM COc1cc(OC[C@H]2CCCO2)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234783638 1040314980 /nfs/dbraw/zinc/31/49/80/1040314980.db2.gz GMEWNJGGMMHLKO-CYBMUJFWSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc(OC2CCOCC2)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234785881 1040316374 /nfs/dbraw/zinc/31/63/74/1040316374.db2.gz GHOYGQDSPYXOFP-UHFFFAOYSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C(C)=O ZINC001234791124 1040321492 /nfs/dbraw/zinc/32/14/92/1040321492.db2.gz KWFHVUWNNCYWSS-IIAWOOMASA-N -1 3 391.464 3.689 20 0 GHADHM COc1cc([O-])c(C)c(OC[C@H]2CN([C@H](C)c3ccccc3)C(=O)O2)c1C(C)=O ZINC001234792473 1040323239 /nfs/dbraw/zinc/32/32/39/1040323239.db2.gz BGBIBESERAZBIV-RHSMWYFYSA-N -1 3 399.443 3.873 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)c1C(C)=O ZINC001234793192 1040325250 /nfs/dbraw/zinc/32/52/50/1040325250.db2.gz NILVZABMSRDMKG-DOTOQJQBSA-N -1 3 384.476 3.911 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccc2ccccc2c1 ZINC001254827774 1040578873 /nfs/dbraw/zinc/57/88/73/1040578873.db2.gz MYMLYWXZJNFBDX-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)[C@H](c2ccccc2)C1 ZINC001235268363 1040746910 /nfs/dbraw/zinc/74/69/10/1040746910.db2.gz RQGSIQFRNFXXPH-UONOGXRCSA-N -1 3 395.429 3.985 20 0 GHADHM [O-]c1c(F)cc(CN2CCN[C@H](c3cccc(Br)c3)C2)cc1F ZINC001235794820 1041292617 /nfs/dbraw/zinc/29/26/17/1041292617.db2.gz XNCPYZGZXUSHTA-INIZCTEOSA-N -1 3 383.236 3.579 20 0 GHADHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC001255931722 1041421058 /nfs/dbraw/zinc/42/10/58/1041421058.db2.gz ZOVIBAVSYRYYLE-UHFFFAOYSA-N -1 3 377.315 3.571 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1ccc(F)cc1F ZINC001256119550 1041552147 /nfs/dbraw/zinc/55/21/47/1041552147.db2.gz YLKYJLBDTKWUQB-HNNXBMFYSA-N -1 3 392.349 3.808 20 0 GHADHM CCCOc1ccc(-c2nnc(-c3[n-]nc4c3cccc4C(=O)OC)o2)cc1 ZINC001256246522 1041673539 /nfs/dbraw/zinc/67/35/39/1041673539.db2.gz RUKYIZGMMJZAOL-UHFFFAOYSA-N -1 3 378.388 3.855 20 0 GHADHM CCCOc1ccc(-c2nnc(-c3n[n-]c4c3cccc4C(=O)OC)o2)cc1 ZINC001256246522 1041673543 /nfs/dbraw/zinc/67/35/43/1041673543.db2.gz RUKYIZGMMJZAOL-UHFFFAOYSA-N -1 3 378.388 3.855 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236695415 1041837170 /nfs/dbraw/zinc/83/71/70/1041837170.db2.gz LKRRRKMSDOGHND-SFHVURJKSA-N -1 3 399.329 3.891 20 0 GHADHM COc1ccc(O[C@H]2CCCN(Cc3ccc(Br)c([O-])c3)C2)nc1 ZINC001236696120 1041837633 /nfs/dbraw/zinc/83/76/33/1041837633.db2.gz SSDZWYAJHCVJOP-HNNXBMFYSA-N -1 3 393.281 3.602 20 0 GHADHM CCOc1ccc(C(=O)C2CCN(Cc3sc(=O)[n-]c3Cl)CC2)cc1 ZINC001237152274 1042066441 /nfs/dbraw/zinc/06/64/41/1042066441.db2.gz VEGGWEZUWIYVQO-UHFFFAOYSA-N -1 3 380.897 3.996 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(Cc2occc2[S-])C1 ZINC001237191778 1042087125 /nfs/dbraw/zinc/08/71/25/1042087125.db2.gz PEILIGFIMIYBSX-MNOVXSKESA-N -1 3 380.432 3.846 20 0 GHADHM [O-]c1cc(F)cc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001237280550 1042121073 /nfs/dbraw/zinc/12/10/73/1042121073.db2.gz NEVUZSVSWMGKLU-XMSQKQJNSA-N -1 3 386.467 3.514 20 0 GHADHM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc(F)c(N)c3)c1C)CC(C)(C)O2 ZINC001237931847 1042425560 /nfs/dbraw/zinc/42/55/60/1042425560.db2.gz UPEBPYXPWCQFPG-UHFFFAOYSA-N -1 3 378.469 3.847 20 0 GHADHM Cc1cc(C(=O)[O-])ccc1CN1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001238138542 1042501595 /nfs/dbraw/zinc/50/15/95/1042501595.db2.gz ZNARRKJKALVFSN-UHFFFAOYSA-N -1 3 384.520 3.698 20 0 GHADHM [O-]c1cc(F)c(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001238146650 1042504334 /nfs/dbraw/zinc/50/43/34/1042504334.db2.gz JJTKTMVROOSOLG-WBVHZDCISA-N -1 3 394.849 3.661 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238233262 1042527328 /nfs/dbraw/zinc/52/73/28/1042527328.db2.gz KIWVAAGYWJWWRI-OAQYLSRUSA-N -1 3 392.471 3.889 20 0 GHADHM CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238233261 1042527467 /nfs/dbraw/zinc/52/74/67/1042527467.db2.gz KIWVAAGYWJWWRI-NRFANRHFSA-N -1 3 392.471 3.889 20 0 GHADHM [O-]c1ccc(Br)c(CN2CC3(CCN3Cc3ccccc3)C2)c1F ZINC001238308868 1042550989 /nfs/dbraw/zinc/55/09/89/1042550989.db2.gz LIWROOFICYIJSI-UHFFFAOYSA-N -1 3 391.284 3.754 20 0 GHADHM O=S(=O)([N-][C@H]1CNc2ccccc21)c1cc(Br)ccc1Cl ZINC001238800533 1042734155 /nfs/dbraw/zinc/73/41/55/1042734155.db2.gz KIHMBKDRJBFXTN-ZDUSSCGKSA-N -1 3 387.686 3.548 20 0 GHADHM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1 ZINC001240478151 1042935633 /nfs/dbraw/zinc/93/56/33/1042935633.db2.gz IWEFDASJLKBGIF-HNNXBMFYSA-N -1 3 392.421 3.925 20 0 GHADHM [O-]c1cc(CN2CCCC3(CN(CCCC(F)(F)F)C3)C2)cc(F)c1F ZINC001278965722 1043670059 /nfs/dbraw/zinc/67/00/59/1043670059.db2.gz OXMQOUZGVXQAEF-UHFFFAOYSA-N -1 3 378.385 3.911 20 0 GHADHM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)N1CCc2ccccc2C1 ZINC001292489760 1043760857 /nfs/dbraw/zinc/76/08/57/1043760857.db2.gz KZYSBOYJTZNICZ-ZDUSSCGKSA-N -1 3 378.394 3.588 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC001257306261 1043961160 /nfs/dbraw/zinc/96/11/60/1043961160.db2.gz JPTZQUDHQJSXPP-NSHDSACASA-N -1 3 394.707 3.701 20 0 GHADHM COc1ccnc(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC001257306386 1043961308 /nfs/dbraw/zinc/96/13/08/1043961308.db2.gz MAQLREDCBZAWNL-UHFFFAOYSA-N -1 3 389.304 3.653 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(CCC(C)C)s2)nnn1-c1cccc(Cl)c1 ZINC001279023310 1044037787 /nfs/dbraw/zinc/03/77/87/1044037787.db2.gz UKCRPXISTFZPDZ-UHFFFAOYSA-N -1 3 390.900 3.922 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257775687 1044165750 /nfs/dbraw/zinc/16/57/50/1044165750.db2.gz LYBFDEXMWCOZOT-UHFFFAOYSA-N -1 3 382.215 3.759 20 0 GHADHM COc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC001257780401 1044167606 /nfs/dbraw/zinc/16/76/06/1044167606.db2.gz NTPQKJDEOMWWKX-CYBMUJFWSA-N -1 3 386.300 3.838 20 0 GHADHM O=S(=O)([N-]Cc1cncc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC001257780022 1044167657 /nfs/dbraw/zinc/16/76/57/1044167657.db2.gz FPBHYLJRYXGZTL-UHFFFAOYSA-N -1 3 385.194 3.886 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC001462813383 1070563997 /nfs/dbraw/zinc/56/39/97/1070563997.db2.gz BZDAZKNPDKRSQH-HUUCEWRRSA-N -1 3 385.501 3.804 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC001462813387 1070564313 /nfs/dbraw/zinc/56/43/13/1070564313.db2.gz BZDAZKNPDKRSQH-LSDHHAIUSA-N -1 3 385.501 3.804 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC1CCC1)c1cccc(F)c1 ZINC001258487292 1044577933 /nfs/dbraw/zinc/57/79/33/1044577933.db2.gz YGEVCLPKKHLFPP-HNNXBMFYSA-N -1 3 385.892 3.731 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)N1CCCC[C@@H]1C ZINC001462836156 1070584982 /nfs/dbraw/zinc/58/49/82/1070584982.db2.gz QVRQXANMUCMGGD-QWRGUYRKSA-N -1 3 383.316 3.674 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001258494541 1044581478 /nfs/dbraw/zinc/58/14/78/1044581478.db2.gz SKSFOZPIMJWIII-CQSZACIVSA-N -1 3 388.320 3.507 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC001258917327 1044873840 /nfs/dbraw/zinc/87/38/40/1044873840.db2.gz YDLCVTHOEGVDJX-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM CN1CCN(Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3[O-])cc2)CC1 ZINC001295108343 1044918961 /nfs/dbraw/zinc/91/89/61/1044918961.db2.gz UVYOJFPVVXYWKK-UHFFFAOYSA-N -1 3 394.302 3.699 20 0 GHADHM Cc1cc(Br)cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259044125 1044932255 /nfs/dbraw/zinc/93/22/55/1044932255.db2.gz SMSZWSQWVQVTKH-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2c1c(F)ccc2F)c1ccc(Br)s1 ZINC001259062891 1044944031 /nfs/dbraw/zinc/94/40/31/1044944031.db2.gz IXZFGYBDMBYCDY-SNVBAGLBSA-N -1 3 394.262 3.755 20 0 GHADHM CC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091702 1044957215 /nfs/dbraw/zinc/95/72/15/1044957215.db2.gz SBCRMZFIIQYIDU-UHFFFAOYSA-N -1 3 390.205 3.731 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)C(F)(F)F)cc1C ZINC001259168177 1044988780 /nfs/dbraw/zinc/98/87/80/1044988780.db2.gz TWKYUKXBQDGKMB-UHFFFAOYSA-N -1 3 375.343 3.988 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC001259172068 1044991874 /nfs/dbraw/zinc/99/18/74/1044991874.db2.gz VEVYNKJHKXYALK-UHFFFAOYSA-N -1 3 378.759 3.757 20 0 GHADHM COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2OC)c1Br ZINC001259204648 1045007106 /nfs/dbraw/zinc/00/71/06/1045007106.db2.gz KZRDXKNDYOWCKU-UHFFFAOYSA-N -1 3 386.267 3.576 20 0 GHADHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2OC)c(Cl)c1 ZINC001259205213 1045008888 /nfs/dbraw/zinc/00/88/88/1045008888.db2.gz HDBGBTDMWFIRJV-UHFFFAOYSA-N -1 3 397.880 3.563 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1cccc(-c2ccccc2)c1 ZINC001259230867 1045026447 /nfs/dbraw/zinc/02/64/47/1045026447.db2.gz JJNPTUSPUWQDBD-UHFFFAOYSA-N -1 3 376.441 3.735 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1Br ZINC001259300880 1045064318 /nfs/dbraw/zinc/06/43/18/1045064318.db2.gz DAGLMZKGEQYZIC-UHFFFAOYSA-N -1 3 396.184 3.676 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-]c1ccc2scnc2c1Br ZINC001259300612 1045064818 /nfs/dbraw/zinc/06/48/18/1045064818.db2.gz RNXNHFOILUAHMY-UHFFFAOYSA-N -1 3 399.291 3.868 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)cc2F)cn1 ZINC001259407001 1045129251 /nfs/dbraw/zinc/12/92/51/1045129251.db2.gz HJNHHCMXMWSJFW-UHFFFAOYSA-N -1 3 389.452 3.908 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CC=CCC2)c([O-])c1 ZINC001295836712 1045162007 /nfs/dbraw/zinc/16/20/07/1045162007.db2.gz JYYXMUGBFGIGFF-NRFANRHFSA-N -1 3 389.448 3.576 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Br)c1cccc(Cl)c1F ZINC001259464649 1045179434 /nfs/dbraw/zinc/17/94/34/1045179434.db2.gz VMDSXPUGDPZKDQ-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2ccc(Cl)cc21)c1cccc(Cl)c1F ZINC001259473975 1045185656 /nfs/dbraw/zinc/18/56/56/1045185656.db2.gz XFPVLLXLYMWOGZ-LBPRGKRZSA-N -1 3 376.236 3.935 20 0 GHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncc(Cl)cc1Br ZINC001259484540 1045195408 /nfs/dbraw/zinc/19/54/08/1045195408.db2.gz DUZSHWXYAHZOFB-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(Cl)cc1Cl)c1cccnc1 ZINC001259609469 1045242609 /nfs/dbraw/zinc/24/26/09/1045242609.db2.gz XVSJEHSYIVUEGN-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM COCc1ccc(Br)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC001259638312 1045253239 /nfs/dbraw/zinc/25/32/39/1045253239.db2.gz ARHNHSPUOXNJJD-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2c3ccccc3CCC[C@H]2C)c([O-])c1 ZINC001296113712 1045255562 /nfs/dbraw/zinc/25/55/62/1045255562.db2.gz OTYBRTOWMQDVQX-OPAMFIHVSA-N -1 3 380.488 3.650 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2cnc(Br)c(Cl)c2)c1 ZINC001259743580 1045282713 /nfs/dbraw/zinc/28/27/13/1045282713.db2.gz 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ZINC001260011952 1045354787 /nfs/dbraw/zinc/35/47/87/1045354787.db2.gz RHFLHJBJCNPHFN-INIZCTEOSA-N -1 3 384.354 3.956 20 0 GHADHM COc1cccc(CCN2CCCC2)c1[N-]S(=O)(=O)c1sccc1C ZINC001260068306 1045374481 /nfs/dbraw/zinc/37/44/81/1045374481.db2.gz SEOHCTBHKDNOTA-UHFFFAOYSA-N -1 3 380.535 3.504 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)c2ccncc12 ZINC001260087384 1045378656 /nfs/dbraw/zinc/37/86/56/1045378656.db2.gz WVRXZLWRAZKTDO-UHFFFAOYSA-N -1 3 378.251 3.502 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2c(C)c3c(c(C)c2C)OC(C)(C)C3)ccc1CO ZINC001260247510 1045427414 /nfs/dbraw/zinc/42/74/14/1045427414.db2.gz ZDOFPMQNONUTQZ-UHFFFAOYSA-N -1 3 389.517 3.927 20 0 GHADHM COc1cccc([O-])c1C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC001297176574 1045469642 /nfs/dbraw/zinc/46/96/42/1045469642.db2.gz CDISYVVTMYHVGL-HAQNSBGRSA-N -1 3 394.240 3.978 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cc(Cl)c1)c1ccc(Br)cc1F ZINC001260373909 1045481066 /nfs/dbraw/zinc/48/10/66/1045481066.db2.gz CYTMCWRTDXNJAZ-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM O=S(=O)([N-]Cc1cccc2ccncc21)c1ccc(Br)cc1F ZINC001260381093 1045483797 /nfs/dbraw/zinc/48/37/97/1045483797.db2.gz ONHBYFZSEHODIU-UHFFFAOYSA-N -1 3 395.253 3.615 20 0 GHADHM CN(C)Cc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1Cl ZINC001297270042 1045489161 /nfs/dbraw/zinc/48/91/61/1045489161.db2.gz BVTWDGWSYGYBGQ-UHFFFAOYSA-N -1 3 391.805 3.774 20 0 GHADHM O=S(=O)([N-]C1CCCCCC1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC001260475132 1045510771 /nfs/dbraw/zinc/51/07/71/1045510771.db2.gz DFGFOVZEMYHBPR-UHFFFAOYSA-N -1 3 399.559 3.582 20 0 GHADHM O=S(=O)([N-]C1CCN(C2CCC2)CC1)c1c(Cl)cc(Cl)cc1Cl ZINC001260559701 1045546834 /nfs/dbraw/zinc/54/68/34/1045546834.db2.gz QFDCWGBWCYFYJP-UHFFFAOYSA-N -1 3 397.755 3.942 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC001260572064 1045557815 /nfs/dbraw/zinc/55/78/15/1045557815.db2.gz CMYDXRMAQKUDJJ-UHFFFAOYSA-N -1 3 385.283 3.824 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)cc1 ZINC001260576902 1045562723 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20 0 GHADHM CCc1cccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1[O-] ZINC001298427964 1045812289 /nfs/dbraw/zinc/81/22/89/1045812289.db2.gz YNSTYHHQSUDVKJ-AUUYWEPGSA-N -1 3 384.451 3.576 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(Cl)c2)c1C ZINC001260999137 1045815677 /nfs/dbraw/zinc/81/56/77/1045815677.db2.gz WLUJOWGSPZCPQV-UHFFFAOYSA-N -1 3 393.940 3.509 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ncccc1F ZINC001261013804 1045836805 /nfs/dbraw/zinc/83/68/05/1045836805.db2.gz IWASQHAWOJCJEV-UHFFFAOYSA-N -1 3 394.365 3.635 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc2nccnc2cc1F ZINC001298512873 1045843926 /nfs/dbraw/zinc/84/39/26/1045843926.db2.gz CTAXFTCZOKRRIP-UHFFFAOYSA-N -1 3 376.185 3.798 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1 ZINC001261060971 1045881323 /nfs/dbraw/zinc/88/13/23/1045881323.db2.gz LYROGENQKSPQBI-QMMMGPOBSA-N -1 3 394.301 3.881 20 0 GHADHM CCC(CC)Nc1ccncc1NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001298609157 1045893435 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/nfs/dbraw/zinc/58/86/55/1047588655.db2.gz NMWHTQWQNPMCHO-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)cccc2Br)n[n-]1 ZINC001304107310 1047588661 /nfs/dbraw/zinc/58/86/61/1047588661.db2.gz NMWHTQWQNPMCHO-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM COc1ccc2sc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[n-]3)c(C)c2c1 ZINC001304133211 1047595880 /nfs/dbraw/zinc/59/58/80/1047595880.db2.gz VTOIXIIGRHVOAY-QMMMGPOBSA-N -1 3 384.383 3.846 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C)cnc1Cl ZINC001265922251 1047693174 /nfs/dbraw/zinc/69/31/74/1047693174.db2.gz KAIPFIHFPKBRKB-GFCCVEGCSA-N -1 3 376.831 3.618 20 0 GHADHM CCC1CCC([N-]S(=O)(=O)Cc2ccc3ccccc3c2)(C(=O)OC)CC1 ZINC001463251097 1070940490 /nfs/dbraw/zinc/94/04/90/1070940490.db2.gz BBBYEGYGZRRHCR-UHFFFAOYSA-N -1 3 389.517 3.771 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001304565116 1047714248 /nfs/dbraw/zinc/71/42/48/1047714248.db2.gz ARWFPKSCUSBVDD-UHFFFAOYSA-N -1 3 391.427 3.677 20 0 GHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001304565116 1047714253 /nfs/dbraw/zinc/71/42/53/1047714253.db2.gz ARWFPKSCUSBVDD-UHFFFAOYSA-N -1 3 391.427 3.677 20 0 GHADHM CC(C)(C)OC1CC(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1 ZINC001304565772 1047714762 /nfs/dbraw/zinc/71/47/62/1047714762.db2.gz MQFKWUXKLZBVNG-UHFFFAOYSA-N -1 3 385.464 3.689 20 0 GHADHM CC(C)(C)OC1CC(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1 ZINC001304565772 1047714766 /nfs/dbraw/zinc/71/47/66/1047714766.db2.gz MQFKWUXKLZBVNG-UHFFFAOYSA-N -1 3 385.464 3.689 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccc2cc(O)ccc21 ZINC001304567958 1047715495 /nfs/dbraw/zinc/71/54/95/1047715495.db2.gz PIDVRHYZYGMHTL-UHFFFAOYSA-N -1 3 387.395 3.878 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccc2cc(O)ccc21 ZINC001304567958 1047715499 /nfs/dbraw/zinc/71/54/99/1047715499.db2.gz PIDVRHYZYGMHTL-UHFFFAOYSA-N -1 3 387.395 3.878 20 0 GHADHM COC(=O)[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC001304766854 1047763764 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383.554 3.541 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccccc3Cl)nc21 ZINC001463313400 1070981100 /nfs/dbraw/zinc/98/11/00/1070981100.db2.gz IBFOZWYDKSAMHT-LLVKDONJSA-N -1 3 387.823 3.799 20 0 GHADHM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001305873706 1048278223 /nfs/dbraw/zinc/27/82/23/1048278223.db2.gz KFWLLPABFBHXFR-OCCSQVGLSA-N -1 3 389.293 3.847 20 0 GHADHM CC(C)CCCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001287556195 1048818397 /nfs/dbraw/zinc/81/83/97/1048818397.db2.gz OXFHDTSVBWCNLI-UHFFFAOYSA-N -1 3 399.539 3.506 20 0 GHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nc3cc(OC)ccc3[nH]2)c([O-])c1 ZINC001306831622 1048919108 /nfs/dbraw/zinc/91/91/08/1048919108.db2.gz NVSLDMBJTQMODR-ZDUSSCGKSA-N -1 3 383.448 3.947 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(Cl)c(CN(C)C)c1)c2=O ZINC001306833686 1048920177 /nfs/dbraw/zinc/92/01/77/1048920177.db2.gz OSIAFXFDGOMLIW-UHFFFAOYSA-N -1 3 385.851 3.504 20 0 GHADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(Oc3ccccc3)n1)c2=O 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CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001309150627 1050405341 /nfs/dbraw/zinc/40/53/41/1050405341.db2.gz YTQBPFBBGYIYSZ-CHWSQXEVSA-N -1 3 375.332 3.727 20 0 GHADHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001309292793 1050563824 /nfs/dbraw/zinc/56/38/24/1050563824.db2.gz OHZIRTSASVYZNM-UHFFFAOYSA-N -1 3 394.802 3.549 20 0 GHADHM O=S(=O)([N-]CC1(C2CC2)CCC1)c1cc(Cl)ccc1Br ZINC001309334430 1050602999 /nfs/dbraw/zinc/60/29/99/1050602999.db2.gz LNDOOAVYALPKDP-UHFFFAOYSA-N -1 3 378.719 3.961 20 0 GHADHM CC1CCC(S(=O)(=O)[N-][C@H](C(=O)OCc2ccccc2)C(C)(C)C)CC1 ZINC001309349065 1050621911 /nfs/dbraw/zinc/62/19/11/1050621911.db2.gz QKQVMSWAJPVSRE-VMWRSERWSA-N -1 3 381.538 3.643 20 0 GHADHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCC(C)(C)CC ZINC001309447607 1050726093 /nfs/dbraw/zinc/72/60/93/1050726093.db2.gz IGBRTJOPKPLKMO-INIZCTEOSA-N -1 3 389.945 3.560 20 0 GHADHM CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1nc[n-]c1Br ZINC001309496437 1050764263 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GHADHM COc1cc(N)c(F)cc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001329947621 1050928229 /nfs/dbraw/zinc/92/82/29/1050928229.db2.gz FZGCUKTUMQLXIB-MRVPVSSYSA-N -1 3 391.424 3.662 20 0 GHADHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(F)cc1 ZINC001309709211 1050931902 /nfs/dbraw/zinc/93/19/02/1050931902.db2.gz YMMYUYWIOKNHCG-UHFFFAOYSA-N -1 3 399.509 3.710 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CC=CCC1)c1cnc(Cl)c(Br)c1 ZINC001309759752 1050959502 /nfs/dbraw/zinc/95/95/02/1050959502.db2.gz QROVSAQIHDIPNU-SNVBAGLBSA-N -1 3 379.707 3.522 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC001309805120 1050982297 /nfs/dbraw/zinc/98/22/97/1050982297.db2.gz JGWUCGQJFNNKQZ-UHFFFAOYSA-N -1 3 378.441 3.938 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(Cl)cc1C(F)(F)F ZINC001309823172 1050991154 /nfs/dbraw/zinc/99/11/54/1050991154.db2.gz VKAGTTSICWNVRY-CDMKHQONSA-N -1 3 383.819 3.595 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1c(Cl)cccc1Cl ZINC001309837161 1050997008 /nfs/dbraw/zinc/99/70/08/1050997008.db2.gz QXDMWZMLRIENSD-LDYMZIIASA-N -1 3 392.226 3.772 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCc3cccc4cccc2c43)c1 ZINC001309880481 1051020757 /nfs/dbraw/zinc/02/07/57/1051020757.db2.gz WIBBTUWRUCBWLN-MRXNPFEDSA-N -1 3 387.482 3.654 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC001309918377 1051042424 /nfs/dbraw/zinc/04/24/24/1051042424.db2.gz XGEHWPNUAWKQNN-AWEZNQCLSA-N -1 3 395.443 3.521 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1(C)C(C)(C)C1(C)C ZINC001309925735 1051049146 /nfs/dbraw/zinc/04/91/46/1051049146.db2.gz BZIPKBKSEYLCCI-UHFFFAOYSA-N -1 3 394.306 3.700 20 0 GHADHM CSCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001309929544 1051051569 /nfs/dbraw/zinc/05/15/69/1051051569.db2.gz QGORDFGIAVJATK-UHFFFAOYSA-N -1 3 386.764 3.831 20 0 GHADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)n1 ZINC001309939220 1051058692 /nfs/dbraw/zinc/05/86/92/1051058692.db2.gz WDVXIXBKEYQILB-UHFFFAOYSA-N -1 3 379.869 3.652 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1C1CCCC1)c1cccc(OC(F)(F)F)c1F ZINC001309959570 1051072660 /nfs/dbraw/zinc/07/26/60/1051072660.db2.gz IBXRWYJEPMNCQG-NWDGAFQWSA-N -1 3 381.391 3.829 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(Br)ccc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001310278673 1051266557 /nfs/dbraw/zinc/26/65/57/1051266557.db2.gz GNCAYFQAJCCOBJ-RXMQYKEDSA-N -1 3 396.142 3.608 20 0 GHADHM O=C([O-])C1CC2(C1)C[C@@H](NCc1oc3ccccc3c1Br)CCO2 ZINC001332018256 1051438605 /nfs/dbraw/zinc/43/86/05/1051438605.db2.gz WUFDESFYWGOIMX-LASWEOPPSA-N -1 3 394.265 3.697 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NOCC(C)C)cc1 ZINC001333207805 1051685842 /nfs/dbraw/zinc/68/58/42/1051685842.db2.gz VYILKFBPYDKKLR-UHFFFAOYSA-N -1 3 391.493 3.813 20 0 GHADHM O=C(NCc1ccc2c(c1)CCC2)NCc1ccc([O-])c(Br)c1 ZINC001333466354 1051746555 /nfs/dbraw/zinc/74/65/55/1051746555.db2.gz PDICUGUOSVVRMH-UHFFFAOYSA-N -1 3 375.266 3.643 20 0 GHADHM CC1(C)CC(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC(C)(C)C1 ZINC001334631963 1051960481 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/nfs/dbraw/zinc/13/47/57/1056134757.db2.gz BZJPIQSOTXFMMB-UHFFFAOYSA-N -1 3 381.436 3.536 20 0 GHADHM Cc1n[n-]c(S(=O)(=O)Cc2ccc(Oc3ccc(Cl)cc3C)cc2)n1 ZINC001321833647 1056412960 /nfs/dbraw/zinc/41/29/60/1056412960.db2.gz PUIUTGILLSSJFM-UHFFFAOYSA-N -1 3 377.853 3.841 20 0 GHADHM Cc1nnc(S(=O)(=O)Cc2ccc(Oc3ccc(Cl)cc3C)cc2)[n-]1 ZINC001321833647 1056412968 /nfs/dbraw/zinc/41/29/68/1056412968.db2.gz PUIUTGILLSSJFM-UHFFFAOYSA-N -1 3 377.853 3.841 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccc(Oc3ccc(Cl)cc3C)cc2)n[n-]1 ZINC001321833647 1056412976 /nfs/dbraw/zinc/41/29/76/1056412976.db2.gz PUIUTGILLSSJFM-UHFFFAOYSA-N -1 3 377.853 3.841 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c([O-])cccc2Cl)nc1 ZINC000848139689 1056745523 /nfs/dbraw/zinc/74/55/23/1056745523.db2.gz BHZKSWDVCMEMJF-UHFFFAOYSA-N -1 3 377.828 3.969 20 0 GHADHM C[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)C(F)F)sc2C1 ZINC001322578974 1056760688 /nfs/dbraw/zinc/76/06/88/1056760688.db2.gz YMTHIWVNWDCZPN-SSDOTTSWSA-N -1 3 392.474 3.578 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nnc(-c3cc4c(s3)CCCCC4)o2)c(C)o1 ZINC001322856503 1056868835 /nfs/dbraw/zinc/86/88/35/1056868835.db2.gz GZEJOIQHMJYYJC-UHFFFAOYSA-N -1 3 393.490 3.544 20 0 GHADHM CCc1ccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccc(F)c2)cc1 ZINC001323630187 1056992921 /nfs/dbraw/zinc/99/29/21/1056992921.db2.gz FCGRLPAGZKYNMI-JOCHJYFZSA-N -1 3 393.462 3.949 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3c[nH]c4cnccc34)nc(=O)c2c1C ZINC001324909373 1057246579 /nfs/dbraw/zinc/24/65/79/1057246579.db2.gz AQJXSCUGNXWOAD-JTQLQIEISA-N -1 3 382.445 3.737 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001356271422 1057455964 /nfs/dbraw/zinc/45/59/64/1057455964.db2.gz YGXYYTHWGXJUSS-GOSISDBHSA-N -1 3 392.507 3.537 20 0 GHADHM CC(C)NC(=O)c1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001441815767 1058868219 /nfs/dbraw/zinc/86/82/19/1058868219.db2.gz KKBTVBBRDLWGPE-UHFFFAOYSA-N -1 3 383.835 3.572 20 0 GHADHM CSc1cc2c(cc1NC(=O)c1cc([O-])cc(Br)c1)OCCO2 ZINC001442658887 1058988746 /nfs/dbraw/zinc/98/87/46/1058988746.db2.gz LZZPAPWLKPFRHO-UHFFFAOYSA-N -1 3 396.262 3.900 20 0 GHADHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1Cc2ccc(O)cc2C1 ZINC001339347388 1059128444 /nfs/dbraw/zinc/12/84/44/1059128444.db2.gz FROBSELTVZUFEU-UHFFFAOYSA-N -1 3 384.867 3.668 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OCCC(C)C)cc2)c([O-])c1 ZINC001444695055 1059363768 /nfs/dbraw/zinc/36/37/68/1059363768.db2.gz QJOUDCPBVDLAEG-UHFFFAOYSA-N -1 3 384.476 3.884 20 0 GHADHM CCN(C[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1)CC(F)(F)F ZINC001445374401 1059516068 /nfs/dbraw/zinc/51/60/68/1059516068.db2.gz WDUZQPYOEIURLY-GFCCVEGCSA-N -1 3 386.439 3.953 20 0 GHADHM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001445927016 1059656120 /nfs/dbraw/zinc/65/61/20/1059656120.db2.gz GGLOERQYJVDGQM-SNVBAGLBSA-N -1 3 399.422 3.777 20 0 GHADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340173796 1059741964 /nfs/dbraw/zinc/74/19/64/1059741964.db2.gz HYEKTQNMFVPNPQ-RHSMWYFYSA-N -1 3 399.532 3.601 20 0 GHADHM O=C(Cc1csc(-c2sccc2Br)n1)Nc1ncccc1[O-] ZINC001447600049 1059985989 /nfs/dbraw/zinc/98/59/89/1059985989.db2.gz BUTLBTBTXYADQX-UHFFFAOYSA-N -1 3 396.291 3.916 20 0 GHADHM CC(C)(C)OCCCC(=O)Nc1ccc(I)cc1[O-] ZINC001447623568 1059989599 /nfs/dbraw/zinc/98/95/99/1059989599.db2.gz JGRHLVKAJKBNNM-UHFFFAOYSA-N -1 3 377.222 3.531 20 0 GHADHM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccccc2Nc2ccncc2)n1 ZINC001448777090 1060264650 /nfs/dbraw/zinc/26/46/50/1060264650.db2.gz JDLVBTIRTFHLAF-UHFFFAOYSA-N -1 3 399.454 3.953 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC001449100392 1060330683 /nfs/dbraw/zinc/33/06/83/1060330683.db2.gz GSCJKWADZZFZMK-PBFPGSCMSA-N -1 3 394.537 3.878 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC001449260692 1060363902 /nfs/dbraw/zinc/36/39/02/1060363902.db2.gz CIMCNXKRKJNSSB-STQMWFEESA-N -1 3 395.459 3.547 20 0 GHADHM CCCCc1ccc(N2C[C@@H](C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)CC2=O)cc1 ZINC001450049083 1060511049 /nfs/dbraw/zinc/51/10/49/1060511049.db2.gz AWEXOTSPALXVKZ-HNNXBMFYSA-N -1 3 392.459 3.603 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1OC(F)F ZINC001341475937 1060710244 /nfs/dbraw/zinc/71/02/44/1060710244.db2.gz IEMJJXLBGFNYBC-ZETCQYMHSA-N -1 3 399.312 3.884 20 0 GHADHM CC[C@](CNC(=O)c1cc2sccc2c([O-])c1)(C(=O)OC)c1ccccc1 ZINC001451312236 1060761899 /nfs/dbraw/zinc/76/18/99/1060761899.db2.gz RSVMWPBRZRBLIK-OAQYLSRUSA-N -1 3 383.469 3.858 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1 ZINC001451456168 1060779560 /nfs/dbraw/zinc/77/95/60/1060779560.db2.gz GZSYDLGWYYUDEP-HNNXBMFYSA-N -1 3 380.510 3.632 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc2n[n-]nc21 ZINC001452517818 1060953990 /nfs/dbraw/zinc/95/39/90/1060953990.db2.gz PIXRMXVRBNBGCC-LJQANCHMSA-N -1 3 378.819 3.945 20 0 GHADHM O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452731446 1060995899 /nfs/dbraw/zinc/99/58/99/1060995899.db2.gz YVPPUDWIKPULEP-MGPUTAFESA-N -1 3 397.862 3.905 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)s1 ZINC001453081103 1061075739 /nfs/dbraw/zinc/07/57/39/1061075739.db2.gz OJKOOYKDMAKSBH-UHFFFAOYSA-N -1 3 386.433 3.584 20 0 GHADHM O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1ccc(O)cc1[O-] ZINC001453554506 1061155563 /nfs/dbraw/zinc/15/55/63/1061155563.db2.gz YGGSEXIJGLEYOC-UHFFFAOYSA-N -1 3 376.250 3.613 20 0 GHADHM COc1cccc(CN2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c1 ZINC001454396834 1061753651 /nfs/dbraw/zinc/75/36/51/1061753651.db2.gz FKJAOJCWBIWDPG-UHFFFAOYSA-N -1 3 376.456 3.512 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1-c1nnn[n-]1 ZINC001454415373 1061773156 /nfs/dbraw/zinc/77/31/56/1061773156.db2.gz GDOAJOYCPPKVFI-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1-c1nn[n-]n1 ZINC001454415373 1061773166 /nfs/dbraw/zinc/77/31/66/1061773166.db2.gz GDOAJOYCPPKVFI-UHFFFAOYSA-N -1 3 394.822 3.746 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 ZINC001454553828 1061839260 /nfs/dbraw/zinc/83/92/60/1061839260.db2.gz JUGMSMVDQXZGLF-OLZOCXBDSA-N -1 3 380.510 3.632 20 0 GHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 ZINC001454553833 1061839524 /nfs/dbraw/zinc/83/95/24/1061839524.db2.gz JUGMSMVDQXZGLF-STQMWFEESA-N -1 3 380.510 3.632 20 0 GHADHM O=C(Nc1cccc2ocnc21)c1c[n-]c2ccc(Br)cc2c1=O ZINC001454632616 1061894085 /nfs/dbraw/zinc/89/40/85/1061894085.db2.gz XWUDCBDGXLEEIW-UHFFFAOYSA-N -1 3 384.189 3.684 20 0 GHADHM CCOc1nnc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)[n-]1 ZINC001454985456 1061968272 /nfs/dbraw/zinc/96/82/72/1061968272.db2.gz DZHNBCZRVPXUEY-UHFFFAOYSA-N -1 3 394.460 3.624 20 0 GHADHM CCOc1nc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)n[n-]1 ZINC001454985456 1061968275 /nfs/dbraw/zinc/96/82/75/1061968275.db2.gz DZHNBCZRVPXUEY-UHFFFAOYSA-N -1 3 394.460 3.624 20 0 GHADHM CCOc1n[n-]c(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)n1 ZINC001454985456 1061968283 /nfs/dbraw/zinc/96/82/83/1061968283.db2.gz DZHNBCZRVPXUEY-UHFFFAOYSA-N -1 3 394.460 3.624 20 0 GHADHM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1c[n-]c2ccccc2c1=O ZINC001434880861 1062073083 /nfs/dbraw/zinc/07/30/83/1062073083.db2.gz FOMHPYZYGPRGTF-CQSZACIVSA-N -1 3 398.846 3.992 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCc3ccc4c(c3)CCO4)c2)n1 ZINC001347106638 1062120909 /nfs/dbraw/zinc/12/09/09/1062120909.db2.gz IHTMJEZSCUPVNK-UHFFFAOYSA-N -1 3 376.412 3.631 20 0 GHADHM O=C(NCc1cc(Br)c2ccccc2c1)c1cc(F)cc2n[n-]nc21 ZINC001455586698 1062228558 /nfs/dbraw/zinc/22/85/58/1062228558.db2.gz FGQXGOIUACLPNN-UHFFFAOYSA-N -1 3 399.223 3.943 20 0 GHADHM CCC(C)(C)C1CCC(CC(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)CC1 ZINC001455751971 1062281561 /nfs/dbraw/zinc/28/15/61/1062281561.db2.gz HRNBHZAGAHLSHZ-ABHNRTSZSA-N -1 3 388.556 3.818 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CCCO)c3ccccc3)c2)n1 ZINC001347353635 1062319740 /nfs/dbraw/zinc/31/97/40/1062319740.db2.gz ZCHJSAVBIHHYGK-HXUWFJFHSA-N -1 3 391.471 3.906 20 0 GHADHM O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001455849271 1062327736 /nfs/dbraw/zinc/32/77/36/1062327736.db2.gz INLOHNFBZJCAOP-KRWDZBQOSA-N -1 3 381.403 3.657 20 0 GHADHM Cn1cc(-c2csc([N-]C(=O)c3sc(Cl)nc3C(F)(F)F)n2)cn1 ZINC001435201107 1062384708 /nfs/dbraw/zinc/38/47/08/1062384708.db2.gz NKOSERFMKTZPNE-UHFFFAOYSA-N -1 3 393.803 3.925 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC001435355899 1062536956 /nfs/dbraw/zinc/53/69/56/1062536956.db2.gz ALRUILWEWSLDFW-NSHDSACASA-N -1 3 391.349 3.854 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456378815 1062647500 /nfs/dbraw/zinc/64/75/00/1062647500.db2.gz CLRFZCKAKNIIGI-DTWKUNHWSA-N -1 3 394.319 3.898 20 0 GHADHM C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1nc(C(F)(F)F)n[n-]1 ZINC001456384637 1062651203 /nfs/dbraw/zinc/65/12/03/1062651203.db2.gz NVPLVHMBMUOYEF-NSHDSACASA-N -1 3 378.354 3.894 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456385988 1062652585 /nfs/dbraw/zinc/65/25/85/1062652585.db2.gz AARGEYNBSYHZRU-NYXKHXTOSA-N -1 3 382.386 3.891 20 0 GHADHM C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc(C(F)(F)F)n[n-]1 ZINC001456385894 1062653278 /nfs/dbraw/zinc/65/32/78/1062653278.db2.gz QQZOVQQBCWKMJJ-SECBINFHSA-N -1 3 377.370 3.675 20 0 GHADHM CCCO[C@@H](COC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(F)cc1C ZINC001347937342 1062791868 /nfs/dbraw/zinc/79/18/68/1062791868.db2.gz PGBPXOSDOZNMOS-SFHVURJKSA-N -1 3 376.428 3.500 20 0 GHADHM CCOC(=O)C1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC001456634814 1062793256 /nfs/dbraw/zinc/79/32/56/1062793256.db2.gz PTWPSWGMIFCTPM-UHFFFAOYSA-N -1 3 381.472 3.836 20 0 GHADHM CCc1c(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)nnn1Cc1ccccc1 ZINC001435748134 1062907258 /nfs/dbraw/zinc/90/72/58/1062907258.db2.gz UTLUTICZPFHZSE-UHFFFAOYSA-N -1 3 384.386 3.622 20 0 GHADHM O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001457783412 1063364737 /nfs/dbraw/zinc/36/47/37/1063364737.db2.gz CTAUOULTSVAZGC-UHFFFAOYSA-N -1 3 389.238 3.686 20 0 GHADHM O=C(Nc1nccc2cc[nH]c21)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001457940236 1063455802 /nfs/dbraw/zinc/45/58/02/1063455802.db2.gz ZIYOAYHZTJDXKX-UHFFFAOYSA-N -1 3 388.305 3.555 20 0 GHADHM O=C([N-]c1c(F)ccnc1F)c1cc(Br)ncc1Br ZINC001436554667 1063525628 /nfs/dbraw/zinc/52/56/28/1063525628.db2.gz UYRKDRPKLGHSNO-UHFFFAOYSA-N -1 3 392.985 3.532 20 0 GHADHM Fc1ccccc1[N-]c1nnc(Sc2nc(Cl)nc3[nH]cnc32)s1 ZINC001458061201 1063536602 /nfs/dbraw/zinc/53/66/02/1063536602.db2.gz LLLRYXIQSRDUPR-UHFFFAOYSA-N -1 3 379.833 3.892 20 0 GHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001436578426 1063543539 /nfs/dbraw/zinc/54/35/39/1063543539.db2.gz GZEPOIOJQVGFAG-NOZJJQNGSA-N -1 3 383.192 3.574 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001349317165 1063649495 /nfs/dbraw/zinc/64/94/95/1063649495.db2.gz RNGOPCWSZNYTGT-KRWDZBQOSA-N -1 3 386.492 3.597 20 0 GHADHM O=C1[C@H]([N-]c2nc3cc(Br)ccc3o2)CN1c1ccc(F)cc1 ZINC001458309267 1063736031 /nfs/dbraw/zinc/73/60/31/1063736031.db2.gz IKHCNFSERSYRQZ-CYBMUJFWSA-N -1 3 376.185 3.557 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNc3nc4cccc(F)c4o3)c2)[n-]1 ZINC001458360011 1063763798 /nfs/dbraw/zinc/76/37/98/1063763798.db2.gz QVSZOLPYZWBKTK-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNc3nc4cccc(F)c4o3)c2)n[n-]1 ZINC001458360011 1063763807 /nfs/dbraw/zinc/76/38/07/1063763807.db2.gz QVSZOLPYZWBKTK-UHFFFAOYSA-N -1 3 381.367 3.541 20 0 GHADHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)o1 ZINC001349944310 1063948094 /nfs/dbraw/zinc/94/80/94/1063948094.db2.gz IGUXUOVHHSHCOF-BENRWUELSA-N -1 3 397.456 3.896 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438030264 1063969195 /nfs/dbraw/zinc/96/91/95/1063969195.db2.gz CHAGNMRZUUFQRQ-LUAWRHEFSA-N -1 3 391.836 3.531 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438030264 1063969197 /nfs/dbraw/zinc/96/91/97/1063969197.db2.gz CHAGNMRZUUFQRQ-LUAWRHEFSA-N -1 3 391.836 3.531 20 0 GHADHM O=C([N-]Cc1cccc(C(F)(F)F)c1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001350228699 1064027933 /nfs/dbraw/zinc/02/79/33/1064027933.db2.gz KUUWCAPNVCHWDZ-UHFFFAOYSA-N -1 3 396.319 3.830 20 0 GHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1nncc2ccccc21 ZINC001459277950 1064043190 /nfs/dbraw/zinc/04/31/90/1064043190.db2.gz GHHQQKCSYYZFEF-UHFFFAOYSA-N -1 3 381.848 3.978 20 0 GHADHM O=C([N-]Cc1cccc(Cl)c1)C(F)(F)c1ncccc1Br ZINC001350564209 1064125568 /nfs/dbraw/zinc/12/55/68/1064125568.db2.gz LXJDNRVSAUAZON-UHFFFAOYSA-N -1 3 375.600 3.906 20 0 GHADHM CCn1cc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)n1 ZINC001350589741 1064133668 /nfs/dbraw/zinc/13/36/68/1064133668.db2.gz KHJHVOXFUAWRPT-UHFFFAOYSA-N -1 3 379.898 3.953 20 0 GHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001351078715 1064259097 /nfs/dbraw/zinc/25/90/97/1064259097.db2.gz YJDLFSDSYAIUKK-UHFFFAOYSA-N -1 3 390.350 3.519 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCCSCC(C)C)sc1Br ZINC001463348906 1064273190 /nfs/dbraw/zinc/27/31/90/1064273190.db2.gz OEPRLWZDMBFXQC-UHFFFAOYSA-N -1 3 386.402 3.877 20 0 GHADHM CC(C)n1cc(Br)c(C(=O)[N-]c2nnc(-c3ccco3)s2)n1 ZINC001351164248 1064288497 /nfs/dbraw/zinc/28/84/97/1064288497.db2.gz VBUPKTKWWYBTSA-UHFFFAOYSA-N -1 3 382.243 3.590 20 0 GHADHM C[C@@H](CN(C)CC(=O)[N-]OCc1ccccc1)Oc1ccc(Cl)c(Cl)c1 ZINC001459953203 1064299519 /nfs/dbraw/zinc/29/95/19/1064299519.db2.gz STEBMUYQASPKBQ-AWEZNQCLSA-N -1 3 397.302 3.941 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c1 ZINC001546139566 1064417974 /nfs/dbraw/zinc/41/79/74/1064417974.db2.gz KXHAXZONXGADTE-IFXJQAMLSA-N -1 3 380.444 3.749 20 0 GHADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463604817 1064493981 /nfs/dbraw/zinc/49/39/81/1064493981.db2.gz KRKBVORUIVIGCE-BXKDBHETSA-N -1 3 376.425 3.906 20 0 GHADHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1 ZINC001463620973 1064506059 /nfs/dbraw/zinc/50/60/59/1064506059.db2.gz ZXBAKBSAUYNSGM-CYBMUJFWSA-N -1 3 378.252 3.799 20 0 GHADHM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1ccc(C(F)F)o1 ZINC001351730413 1064579412 /nfs/dbraw/zinc/57/94/12/1064579412.db2.gz OCMCCVQJMZNJGI-UHFFFAOYSA-N -1 3 397.179 3.872 20 0 GHADHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC001463739395 1064580495 /nfs/dbraw/zinc/58/04/95/1064580495.db2.gz QYNUVORJLDHTEM-ZBFHGGJFSA-N -1 3 380.535 3.540 20 0 GHADHM O=C([N-]c1ncn(Cc2ccc(Br)cc2)n1)c1ccc(C(F)F)o1 ZINC001351739151 1064582288 /nfs/dbraw/zinc/58/22/88/1064582288.db2.gz VZXXPKFTGACHSJ-UHFFFAOYSA-N -1 3 397.179 3.872 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001463897427 1064702712 /nfs/dbraw/zinc/70/27/12/1064702712.db2.gz BCPIMTNDYLYXMG-IUODEOHRSA-N -1 3 399.921 3.803 20 0 GHADHM COC(=O)[C@]1([N-]S(=O)(=O)/C=C/c2ccccc2Cl)CCCC(C)(C)C1 ZINC001464102765 1064825499 /nfs/dbraw/zinc/82/54/99/1064825499.db2.gz ANSRKMFMSOOJND-PEKVBPLLSA-N -1 3 385.913 3.742 20 0 GHADHM COc1ccc(OC(C)(C)C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001464135491 1064848415 /nfs/dbraw/zinc/84/84/15/1064848415.db2.gz HZIGCMSGXADCKD-UHFFFAOYSA-N -1 3 380.238 3.959 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1c2ncsc2ccc1Cl ZINC001464261402 1064930904 /nfs/dbraw/zinc/93/09/04/1064930904.db2.gz WDUQOXLHLOVCLP-CJNGLKHVSA-N -1 3 394.905 3.758 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1noc2ccc(F)cc21 ZINC001464295784 1064945884 /nfs/dbraw/zinc/94/58/84/1064945884.db2.gz QDQBDUIADZRWNK-UHFFFAOYSA-N -1 3 389.235 3.893 20 0 GHADHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)OC1 ZINC001464381551 1064980893 /nfs/dbraw/zinc/98/08/93/1064980893.db2.gz TYXICUJYOIGHQJ-NSHDSACASA-N -1 3 385.835 3.842 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001464439970 1065010231 /nfs/dbraw/zinc/01/02/31/1065010231.db2.gz WNOFQJVGPFMETL-CQSZACIVSA-N -1 3 389.293 3.719 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)c1 ZINC001464488276 1065041625 /nfs/dbraw/zinc/04/16/25/1065041625.db2.gz PSXLTFAILZMPPO-QGZVFWFLSA-N -1 3 390.443 3.788 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464623245 1065117620 /nfs/dbraw/zinc/11/76/20/1065117620.db2.gz OYTQWCWSRVDQLL-NSHDSACASA-N -1 3 391.353 3.583 20 0 GHADHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464623245 1065117626 /nfs/dbraw/zinc/11/76/26/1065117626.db2.gz OYTQWCWSRVDQLL-NSHDSACASA-N -1 3 391.353 3.583 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1oc2ccccc2c1CO ZINC001465025619 1065335351 /nfs/dbraw/zinc/33/53/51/1065335351.db2.gz VFUWIQCBOVGAGC-UHFFFAOYSA-N -1 3 383.404 3.759 20 0 GHADHM COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465149845 1065419633 /nfs/dbraw/zinc/41/96/33/1065419633.db2.gz MIQRRNWNVDIWIP-SSDOTTSWSA-N -1 3 377.754 3.677 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(F)c1Sc1ccccc1 ZINC001300197755 1065647769 /nfs/dbraw/zinc/64/77/69/1065647769.db2.gz CVTVQRJXKHQUJW-UHFFFAOYSA-N -1 3 387.461 3.691 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001465650531 1065769972 /nfs/dbraw/zinc/76/99/72/1065769972.db2.gz MWBOMYVHYVHWEW-UHFFFAOYSA-N -1 3 391.383 3.774 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001465663665 1065779590 /nfs/dbraw/zinc/77/95/90/1065779590.db2.gz HCOAYRKUYHYRDA-BBRMVZONSA-N -1 3 392.908 3.730 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ncc(C(C)(C)C)o2)s1 ZINC001465728987 1065814664 /nfs/dbraw/zinc/81/46/64/1065814664.db2.gz ACWMGTNZOPCIBU-UHFFFAOYSA-N -1 3 380.470 3.706 20 0 GHADHM Cc1c(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cnn1-c1ccc(F)cc1 ZINC001300251436 1065838843 /nfs/dbraw/zinc/83/88/43/1065838843.db2.gz BAHDWHCCZLCMOR-UHFFFAOYSA-N -1 3 398.344 3.692 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)c([O-])c1 ZINC001300263073 1065873661 /nfs/dbraw/zinc/87/36/61/1065873661.db2.gz QHNNYCXKCYKXLV-JOCHJYFZSA-N -1 3 390.483 3.740 20 0 GHADHM O=C([N-][C@@H]1CCN(c2ncccc2Cl)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC001465875855 1065907277 /nfs/dbraw/zinc/90/72/77/1065907277.db2.gz IPNCSONHJWNAQD-CYBMUJFWSA-N -1 3 387.764 3.500 20 0 GHADHM CC(C)c1nnc([N-]C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)s1 ZINC001353542363 1066014858 /nfs/dbraw/zinc/01/48/58/1066014858.db2.gz UXTJRQQBHOVNBY-UHFFFAOYSA-N -1 3 378.408 3.772 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)s1 ZINC001466334974 1066097663 /nfs/dbraw/zinc/09/76/63/1066097663.db2.gz ZWSYHAZJOOMOHU-UHFFFAOYSA-N -1 3 391.478 3.907 20 0 GHADHM O=C([N-]Cc1ccc2[nH]c(=O)[nH]c2c1)C(F)(F)c1cccc(Cl)c1Cl ZINC001466345751 1066104929 /nfs/dbraw/zinc/10/49/29/1066104929.db2.gz JYTAHXQYKKLUDR-UHFFFAOYSA-N -1 3 386.185 3.984 20 0 GHADHM Cc1sc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)nc1C1CCCCC1 ZINC001466597918 1066204773 /nfs/dbraw/zinc/20/47/73/1066204773.db2.gz BTRJVLZTAMDQLK-UHFFFAOYSA-N -1 3 379.511 3.605 20 0 GHADHM Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001466631706 1066223357 /nfs/dbraw/zinc/22/33/57/1066223357.db2.gz VLZZLHNQHJUFOI-GOSISDBHSA-N -1 3 387.455 3.692 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cc2c(cccc2F)[nH]1 ZINC001466817599 1066334720 /nfs/dbraw/zinc/33/47/20/1066334720.db2.gz KDXBEHRDNUQTBB-UHFFFAOYSA-N -1 3 396.159 3.870 20 0 GHADHM Cc1cc(C(F)(F)C(=O)[N-]CCc2ccc(F)c(F)c2F)cnc1Cl ZINC001357564604 1067165551 /nfs/dbraw/zinc/16/55/51/1067165551.db2.gz VHTAZJSOTIIXBW-UHFFFAOYSA-N -1 3 378.728 3.911 20 0 GHADHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(SC)ccc1[O-] ZINC001467288700 1067200094 /nfs/dbraw/zinc/20/00/94/1067200094.db2.gz SIBKFFOHGWKLOL-MRXNPFEDSA-N -1 3 393.892 3.672 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCc1ccc(C)cc1Br ZINC001467569005 1067364294 /nfs/dbraw/zinc/36/42/94/1067364294.db2.gz MCDFLFSRIFRCDR-UHFFFAOYSA-N -1 3 378.266 3.947 20 0 GHADHM O=C([N-][C@@H]1CCCN(c2ccccc2F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC001358093140 1067395904 /nfs/dbraw/zinc/39/59/04/1067395904.db2.gz HKFLUHNPLVMQNX-OAHLLOKOSA-N -1 3 384.348 3.981 20 0 GHADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cc(Br)cnc1Cl ZINC000849231597 1067772468 /nfs/dbraw/zinc/77/24/68/1067772468.db2.gz BMLQQHBQSORZRS-PWSUYJOCSA-N -1 3 375.694 3.867 20 0 GHADHM CC(=O)c1cccc(NC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)c1[O-] ZINC001468600373 1067786539 /nfs/dbraw/zinc/78/65/39/1067786539.db2.gz ANWUDLBPPIDHBC-UHFFFAOYSA-N -1 3 394.349 3.501 20 0 GHADHM COc1cccc(C(=O)Nc2cc(C)cc(CNC(=O)OC(C)(C)C)c2)c1[O-] ZINC001469229756 1068042900 /nfs/dbraw/zinc/04/29/00/1068042900.db2.gz BGGRTMWWVRGVDJ-UHFFFAOYSA-N -1 3 386.448 3.986 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1C(=O)OC(C)(C)C ZINC001469398521 1068143071 /nfs/dbraw/zinc/14/30/71/1068143071.db2.gz UBSKYOSXGBJLRD-XHDPSFHLSA-N -1 3 398.297 3.595 20 0 GHADHM [O-]c1ccc(CN2CCN(C[C@H]3CC4(CO3)CCCCC4)CC2)cc1Cl ZINC001460644896 1069053262 /nfs/dbraw/zinc/05/32/62/1069053262.db2.gz MAVDDZAZGFOOMS-GOSISDBHSA-N -1 3 378.944 3.903 20 0 GHADHM CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001470500549 1072595241 /nfs/dbraw/zinc/59/52/41/1072595241.db2.gz ZIVNBENPWZKPCT-HXPMCKFVSA-N -1 3 380.872 3.565 20 0 GHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC001470675634 1072683472 /nfs/dbraw/zinc/68/34/72/1072683472.db2.gz UYSNPBFRUYCGKK-UHFFFAOYSA-N -1 3 387.439 3.663 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[n-]1 ZINC001472090640 1073330808 /nfs/dbraw/zinc/33/08/08/1073330808.db2.gz GSRRBPLMKPULHM-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)c(Br)c2)[n-]n1 ZINC001472090640 1073330807 /nfs/dbraw/zinc/33/08/07/1073330807.db2.gz GSRRBPLMKPULHM-UHFFFAOYSA-N -1 3 386.633 3.643 20 0 GHADHM C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112035 1073337819 /nfs/dbraw/zinc/33/78/19/1073337819.db2.gz WOXWNXZKNPBWOV-GFCCVEGCSA-N -1 3 381.402 3.551 20 0 GHADHM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001472271142 1073392247 /nfs/dbraw/zinc/39/22/47/1073392247.db2.gz JQLHGOOJMBPICZ-MOPGFXCFSA-N -1 3 381.472 3.639 20 0 GHADHM CSc1ccc(-c2nsc(NC(=O)Cc3ccc([O-])c(F)c3)n2)cc1 ZINC001472516679 1073526900 /nfs/dbraw/zinc/52/69/00/1073526900.db2.gz YLCQJGOOIXPBAD-UHFFFAOYSA-N -1 3 375.450 3.953 20 0 GHADHM CCc1cc(=O)[n-]c(CN2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)n1 ZINC001473520261 1073999338 /nfs/dbraw/zinc/99/93/38/1073999338.db2.gz ULNWXERUEPVMGR-KBPBESRZSA-N -1 3 394.441 3.863 20 0 GHADHM O=C([N-]C[C@H]1Cc2ccccc2N1C[C@H]1CCCC12CCOCC2)C(F)(F)F ZINC001473567608 1074019986 /nfs/dbraw/zinc/01/99/86/1074019986.db2.gz UCNYLWSABOCNJM-IAGOWNOFSA-N -1 3 396.453 3.693 20 0 GHADHM O=c1cc(CN(Cc2ccccc2)[C@H](CO)c2ccccc2)nc(C2CC2)[n-]1 ZINC001473721325 1074107081 /nfs/dbraw/zinc/10/70/81/1074107081.db2.gz OWQCGBVOEHHUES-OAQYLSRUSA-N -1 3 375.472 3.795 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC001479551969 1079228008 /nfs/dbraw/zinc/22/80/08/1079228008.db2.gz SVKHTYOXGFPWOX-VNQPRFMTSA-N -1 3 391.899 3.594 20 0 GHADHM COCc1ccccc1/C=C(\C)CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001474648435 1074498313 /nfs/dbraw/zinc/49/83/13/1074498313.db2.gz ZVEJCGIDPZJGGW-WZEYAMKMSA-N -1 3 384.442 3.625 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)c(F)c1F ZINC001474845075 1074590403 /nfs/dbraw/zinc/59/04/03/1074590403.db2.gz NBLZZLRVXLXXNS-UHFFFAOYSA-N -1 3 395.349 3.693 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CCCCC1 ZINC001474860532 1074597088 /nfs/dbraw/zinc/59/70/88/1074597088.db2.gz ZPAMSHWMPYGLJX-ZDUSSCGKSA-N -1 3 399.969 3.616 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)c2ccccc2)c(F)c1 ZINC001474867407 1074600821 /nfs/dbraw/zinc/60/08/21/1074600821.db2.gz PNBAUZZYWMEOBL-UHFFFAOYSA-N -1 3 393.480 3.649 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)C)c1 ZINC001474955437 1074651367 /nfs/dbraw/zinc/65/13/67/1074651367.db2.gz NOLGUWVTTVOWPE-LJQANCHMSA-N -1 3 393.480 3.905 20 0 GHADHM C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001474965004 1074656489 /nfs/dbraw/zinc/65/64/89/1074656489.db2.gz IFXKJNGUCFJLCC-GFCCVEGCSA-N -1 3 375.332 3.871 20 0 GHADHM O=S(=O)([N-]CCc1c[nH]c2cc(Cl)ccc12)c1cc(F)c(F)c(F)c1 ZINC001475067935 1074721048 /nfs/dbraw/zinc/72/10/48/1074721048.db2.gz UFSXGIDQJXJFTE-UHFFFAOYSA-N -1 3 388.798 3.760 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(C(C)C)CC2)c(F)c1 ZINC001475081399 1074729103 /nfs/dbraw/zinc/72/91/03/1074729103.db2.gz GLTVULVQOWCDET-UHFFFAOYSA-N -1 3 385.501 3.743 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001475125782 1074747931 /nfs/dbraw/zinc/74/79/31/1074747931.db2.gz DSZRDGWGPFGSBQ-WDEREUQCSA-N -1 3 396.372 3.691 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)CCC1CCCCC1)c1ccc2ccccc2c1 ZINC001475128358 1074749064 /nfs/dbraw/zinc/74/90/64/1074749064.db2.gz QDUGMRBCXOWMTG-HXUWFJFHSA-N -1 3 389.517 3.944 20 0 GHADHM O=S(=O)([N-]C1Cc2ccccc2C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001475173196 1074768877 /nfs/dbraw/zinc/76/88/77/1074768877.db2.gz AOAAMPZGSBSQIQ-UHFFFAOYSA-N -1 3 390.917 3.909 20 0 GHADHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC001475302744 1074828784 /nfs/dbraw/zinc/82/87/84/1074828784.db2.gz IUEZBVPPWJBGKS-UHFFFAOYSA-N -1 3 390.249 3.557 20 0 GHADHM Cc1sc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1Br ZINC001475309116 1074829880 /nfs/dbraw/zinc/82/98/80/1074829880.db2.gz WBWVKXGCBCIXGM-VIFPVBQESA-N -1 3 388.299 3.841 20 0 GHADHM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001475390817 1074858892 /nfs/dbraw/zinc/85/88/92/1074858892.db2.gz BUAJEKDMSFLGHW-GDBMZVCRSA-N -1 3 385.501 3.887 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)c(-c2ccccc2)s1 ZINC001475395248 1074860075 /nfs/dbraw/zinc/86/00/75/1074860075.db2.gz ZCWWXBODADJSHZ-UHFFFAOYSA-N -1 3 394.562 3.728 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(c3ccc(C)cc3)CCC2)c1 ZINC001475457756 1074881975 /nfs/dbraw/zinc/88/19/75/1074881975.db2.gz CNPBKDMKAJTYPA-UHFFFAOYSA-N -1 3 391.464 3.587 20 0 GHADHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001475506739 1074900410 /nfs/dbraw/zinc/90/04/10/1074900410.db2.gz ZIMICHWUYHROSC-CDGFNTGHSA-N -1 3 397.418 3.820 20 0 GHADHM Cc1cc(Br)ccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001475836919 1075031748 /nfs/dbraw/zinc/03/17/48/1075031748.db2.gz NHJHDRLCFICLIH-SSDOTTSWSA-N -1 3 392.179 3.777 20 0 GHADHM CC(C)c1cnc(SCC(=O)Nc2sccc2-c2nnn[n-]2)n1C(C)C ZINC000735933110 598825036 /nfs/dbraw/zinc/82/50/36/598825036.db2.gz VIGDGYBPGKODKB-UHFFFAOYSA-N -1 3 391.526 3.560 20 0 GHADHM CC(C)c1cnc(SCC(=O)Nc2sccc2-c2nn[n-]n2)n1C(C)C ZINC000735933110 598825037 /nfs/dbraw/zinc/82/50/37/598825037.db2.gz VIGDGYBPGKODKB-UHFFFAOYSA-N -1 3 391.526 3.560 20 0 GHADHM CC1CCN(c2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000736279860 598835348 /nfs/dbraw/zinc/83/53/48/598835348.db2.gz NUDWUOCAXXJCGE-MDZDMXLPSA-N -1 3 388.475 3.755 20 0 GHADHM CC1CCN(c2cccc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736279860 598835350 /nfs/dbraw/zinc/83/53/50/598835350.db2.gz NUDWUOCAXXJCGE-MDZDMXLPSA-N -1 3 388.475 3.755 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(COC2CCCC2)cc1 ZINC000737797057 598839480 /nfs/dbraw/zinc/83/94/80/598839480.db2.gz DAWHBFVUVTUFHX-SDNWHVSQSA-N -1 3 389.459 3.978 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(COC2CCCC2)cc1 ZINC000737797057 598839482 /nfs/dbraw/zinc/83/94/82/598839482.db2.gz DAWHBFVUVTUFHX-SDNWHVSQSA-N -1 3 389.459 3.978 20 0 GHADHM CCCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736492768 598850457 /nfs/dbraw/zinc/85/04/57/598850457.db2.gz POSMMJRZQHNNMK-UHFFFAOYSA-N -1 3 382.424 3.698 20 0 GHADHM CCCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736492768 598850459 /nfs/dbraw/zinc/85/04/59/598850459.db2.gz POSMMJRZQHNNMK-UHFFFAOYSA-N -1 3 382.424 3.698 20 0 GHADHM C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CCCC1 ZINC000736124649 598865470 /nfs/dbraw/zinc/86/54/70/598865470.db2.gz VOSGJVOXZWLPBE-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CCCC1 ZINC000736124649 598865472 /nfs/dbraw/zinc/86/54/72/598865472.db2.gz VOSGJVOXZWLPBE-HNNXBMFYSA-N -1 3 391.475 3.754 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738164383 598867761 /nfs/dbraw/zinc/86/77/61/598867761.db2.gz YESWGFQWUXOKCT-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738164383 598867762 /nfs/dbraw/zinc/86/77/62/598867762.db2.gz YESWGFQWUXOKCT-UHFFFAOYSA-N -1 3 397.744 3.714 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc(COc2cccc(F)c2)c1 ZINC000510052112 598903060 /nfs/dbraw/zinc/90/30/60/598903060.db2.gz ANMWOOYDNFSOSL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(COc2cccc(F)c2)c1 ZINC000510052112 598903062 /nfs/dbraw/zinc/90/30/62/598903062.db2.gz ANMWOOYDNFSOSL-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)s1 ZINC000737280393 598904276 /nfs/dbraw/zinc/90/42/76/598904276.db2.gz UMFUKTZOKYPBOM-UHFFFAOYSA-N -1 3 385.421 3.769 20 0 GHADHM Cc1cc(OC(F)F)c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000737280393 598904277 /nfs/dbraw/zinc/90/42/77/598904277.db2.gz UMFUKTZOKYPBOM-UHFFFAOYSA-N -1 3 385.421 3.769 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000735735722 598912735 /nfs/dbraw/zinc/91/27/35/598912735.db2.gz UQJQXIYJQUWZFH-SIKLNZKXSA-N -1 3 395.507 3.619 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000735735722 598912737 /nfs/dbraw/zinc/91/27/37/598912737.db2.gz UQJQXIYJQUWZFH-SIKLNZKXSA-N -1 3 395.507 3.619 20 0 GHADHM C[C@@H](CC1CCCC1)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735986399 598924185 /nfs/dbraw/zinc/92/41/85/598924185.db2.gz RUKOFXZXSPYEQR-AWEZNQCLSA-N -1 3 395.463 3.553 20 0 GHADHM C[C@@H](CC1CCCC1)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735986399 598924186 /nfs/dbraw/zinc/92/41/86/598924186.db2.gz RUKOFXZXSPYEQR-AWEZNQCLSA-N -1 3 395.463 3.553 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1OC(F)F ZINC000737359970 598926386 /nfs/dbraw/zinc/92/63/86/598926386.db2.gz JIAOAQDJJQRSHD-UHFFFAOYSA-N -1 3 376.392 3.585 20 0 GHADHM Cc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1OC(F)F ZINC000737359970 598926389 /nfs/dbraw/zinc/92/63/89/598926389.db2.gz JIAOAQDJJQRSHD-UHFFFAOYSA-N -1 3 376.392 3.585 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736421703 598927808 /nfs/dbraw/zinc/92/78/08/598927808.db2.gz CGFZWPBZWOBWRB-QGZVFWFLSA-N -1 3 379.464 3.754 20 0 GHADHM CCC[C@@H](CC)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736421703 598927809 /nfs/dbraw/zinc/92/78/09/598927809.db2.gz CGFZWPBZWOBWRB-QGZVFWFLSA-N -1 3 379.464 3.754 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1SCc1ccc(Br)cc1 ZINC000737558967 598934608 /nfs/dbraw/zinc/93/46/08/598934608.db2.gz UNESSXUWVQJZDV-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1SCc1ccc(Br)cc1 ZINC000737558967 598934609 /nfs/dbraw/zinc/93/46/09/598934609.db2.gz UNESSXUWVQJZDV-UHFFFAOYSA-N -1 3 382.674 3.970 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000737564897 598936108 /nfs/dbraw/zinc/93/61/08/598936108.db2.gz KUSAIVYEEQHFFL-UHFFFAOYSA-N -1 3 396.867 3.524 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000737564897 598936110 /nfs/dbraw/zinc/93/61/10/598936110.db2.gz KUSAIVYEEQHFFL-UHFFFAOYSA-N -1 3 396.867 3.524 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1cccc(COCc2ccco2)c1 ZINC000737558078 598938500 /nfs/dbraw/zinc/93/85/00/598938500.db2.gz KESPZXCJRCFJOE-UHFFFAOYSA-N -1 3 382.811 3.969 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1cccc(COCc2ccco2)c1 ZINC000737558078 598938501 /nfs/dbraw/zinc/93/85/01/598938501.db2.gz KESPZXCJRCFJOE-UHFFFAOYSA-N -1 3 382.811 3.969 20 0 GHADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000737337319 598942995 /nfs/dbraw/zinc/94/29/95/598942995.db2.gz LGXXOUDHYFSUEV-UHFFFAOYSA-N -1 3 393.516 3.767 20 0 GHADHM Cc1ccc(CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000737337319 598942997 /nfs/dbraw/zinc/94/29/97/598942997.db2.gz LGXXOUDHYFSUEV-UHFFFAOYSA-N -1 3 393.516 3.767 20 0 GHADHM O=C(Nc1ccc(F)cc1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738166923 598979309 /nfs/dbraw/zinc/97/93/09/598979309.db2.gz ZAJAUXWSWHEDNB-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)cc1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738166923 598979311 /nfs/dbraw/zinc/97/93/11/598979311.db2.gz ZAJAUXWSWHEDNB-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736268764 598979686 /nfs/dbraw/zinc/97/96/86/598979686.db2.gz FIUZFSCIWGEHAM-YWZLYKJASA-N -1 3 391.475 3.754 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738183929 598979906 /nfs/dbraw/zinc/97/99/06/598979906.db2.gz PPJXPOMHBSMIEM-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1cccc(F)c1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738183929 598979908 /nfs/dbraw/zinc/97/99/08/598979908.db2.gz PPJXPOMHBSMIEM-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736268231 599007494 /nfs/dbraw/zinc/00/74/94/599007494.db2.gz RITXVWKIQYANOZ-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM C[C@H]1CCCCCN1C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736268231 599007496 /nfs/dbraw/zinc/00/74/96/599007496.db2.gz RITXVWKIQYANOZ-INIZCTEOSA-N -1 3 391.475 3.850 20 0 GHADHM c1cncc(-c2noc(-c3cccc(COc4ccc(-c5nn[n-]n5)cc4)c3)n2)c1 ZINC000738445171 599011056 /nfs/dbraw/zinc/01/10/56/599011056.db2.gz FFUSKONQVMILCP-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM CC(C)CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000735796765 599016128 /nfs/dbraw/zinc/01/61/28/599016128.db2.gz IAPWMPMZXUZMBA-MRXNPFEDSA-N -1 3 375.542 3.926 20 0 GHADHM CC(C)CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735796765 599016130 /nfs/dbraw/zinc/01/61/30/599016130.db2.gz IAPWMPMZXUZMBA-MRXNPFEDSA-N -1 3 375.542 3.926 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736795935 599027201 /nfs/dbraw/zinc/02/72/01/599027201.db2.gz ZOEAQOYOCGSVQP-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM CN(CC1CCCC1)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736795935 599027203 /nfs/dbraw/zinc/02/72/03/599027203.db2.gz ZOEAQOYOCGSVQP-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM COc1cccc(Oc2ncccc2CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737142720 599049815 /nfs/dbraw/zinc/04/98/15/599049815.db2.gz YURKIODEOONKFF-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM COc1cccc(Oc2ncccc2CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737142720 599049818 /nfs/dbraw/zinc/04/98/18/599049818.db2.gz YURKIODEOONKFF-UHFFFAOYSA-N -1 3 392.394 3.814 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N[C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000737631470 599053047 /nfs/dbraw/zinc/05/30/47/599053047.db2.gz DHUPBSOQNAAWNK-HIFRSBDPSA-N -1 3 390.369 3.613 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000737631470 599053050 /nfs/dbraw/zinc/05/30/50/599053050.db2.gz DHUPBSOQNAAWNK-HIFRSBDPSA-N -1 3 390.369 3.613 20 0 GHADHM Cc1sc2[nH]c(CSc3ccc(-c4nnn[n-]4)cc3F)nc(=O)c2c1C ZINC000737561762 599065881 /nfs/dbraw/zinc/06/58/81/599065881.db2.gz ICPCSMFNQBZVNT-UHFFFAOYSA-N -1 3 388.453 3.625 20 0 GHADHM Cc1sc2[nH]c(CSc3ccc(-c4nn[n-]n4)cc3F)nc(=O)c2c1C ZINC000737561762 599065885 /nfs/dbraw/zinc/06/58/85/599065885.db2.gz ICPCSMFNQBZVNT-UHFFFAOYSA-N -1 3 388.453 3.625 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000736479914 599070636 /nfs/dbraw/zinc/07/06/36/599070636.db2.gz MBTRTMCHBVACCB-AEFFLSMTSA-N -1 3 397.429 3.687 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000736479914 599070639 /nfs/dbraw/zinc/07/06/39/599070639.db2.gz MBTRTMCHBVACCB-AEFFLSMTSA-N -1 3 397.429 3.687 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000735904146 599071041 /nfs/dbraw/zinc/07/10/41/599071041.db2.gz LUNPQXXXMXIVQE-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000735904146 599071043 /nfs/dbraw/zinc/07/10/43/599071043.db2.gz LUNPQXXXMXIVQE-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000736244268 599071101 /nfs/dbraw/zinc/07/11/01/599071101.db2.gz GELWSLLZQCZTEI-WFASDCNBSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000736244268 599071105 /nfs/dbraw/zinc/07/11/05/599071105.db2.gz GELWSLLZQCZTEI-WFASDCNBSA-N -1 3 381.402 3.584 20 0 GHADHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)c1ccccc1 ZINC000736351636 599077238 /nfs/dbraw/zinc/07/72/38/599077238.db2.gz QDRWMCUMFLVWOM-DNVCBOLYSA-N -1 3 393.491 3.507 20 0 GHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736267124 599102589 /nfs/dbraw/zinc/10/25/89/599102589.db2.gz QEZVXPAPBLNSFW-LSDHHAIUSA-N -1 3 376.464 3.871 20 0 GHADHM Cc1cc(C(=O)CSc2ccccc2-c2nnn[n-]2)c(C)n1-c1nccs1 ZINC000737227095 599111872 /nfs/dbraw/zinc/11/18/72/599111872.db2.gz IGUWGEWQFNBHQI-UHFFFAOYSA-N -1 3 396.501 3.706 20 0 GHADHM Cc1cc(C(=O)CSc2ccccc2-c2nn[n-]n2)c(C)n1-c1nccs1 ZINC000737227095 599111876 /nfs/dbraw/zinc/11/18/76/599111876.db2.gz IGUWGEWQFNBHQI-UHFFFAOYSA-N -1 3 396.501 3.706 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821883198 599128383 /nfs/dbraw/zinc/12/83/83/599128383.db2.gz SBRMUQDUHSFSAY-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821883198 599128384 /nfs/dbraw/zinc/12/83/84/599128384.db2.gz SBRMUQDUHSFSAY-OLZOCXBDSA-N -1 3 383.477 3.697 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000821608507 599140524 /nfs/dbraw/zinc/14/05/24/599140524.db2.gz KIVVWXAPGDJWQK-UHFFFAOYSA-N -1 3 375.476 3.799 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000821608507 599140527 /nfs/dbraw/zinc/14/05/27/599140527.db2.gz KIVVWXAPGDJWQK-UHFFFAOYSA-N -1 3 375.476 3.799 20 0 GHADHM O=C(/C=C\C1CC1)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000822922589 599142958 /nfs/dbraw/zinc/14/29/58/599142958.db2.gz HVTPSROGUPUVSM-FLIBITNWSA-N -1 3 377.423 3.501 20 0 GHADHM O=C(/C=C\C1CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822922589 599142960 /nfs/dbraw/zinc/14/29/60/599142960.db2.gz HVTPSROGUPUVSM-FLIBITNWSA-N -1 3 377.423 3.501 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736236371 599145493 /nfs/dbraw/zinc/14/54/93/599145493.db2.gz RUFVNIROKSNUKU-JSGCOSHPSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736236371 599145495 /nfs/dbraw/zinc/14/54/95/599145495.db2.gz RUFVNIROKSNUKU-JSGCOSHPSA-N -1 3 382.855 3.930 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000819877445 599149997 /nfs/dbraw/zinc/14/99/97/599149997.db2.gz WCSNHCFLMFLCOJ-SNVBAGLBSA-N -1 3 377.326 3.796 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737333142 599167302 /nfs/dbraw/zinc/16/73/02/599167302.db2.gz RQZCBEUCOHWBIS-SFHVURJKSA-N -1 3 395.463 3.681 20 0 GHADHM Cc1ccc([C@@H]2CCCN2C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737333142 599167304 /nfs/dbraw/zinc/16/73/04/599167304.db2.gz RQZCBEUCOHWBIS-SFHVURJKSA-N -1 3 395.463 3.681 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000736900693 599169244 /nfs/dbraw/zinc/16/92/44/599169244.db2.gz FHSXEQCQNBUWNU-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM COC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736900693 599169247 /nfs/dbraw/zinc/16/92/47/599169247.db2.gz FHSXEQCQNBUWNU-AWEZNQCLSA-N -1 3 378.816 3.666 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCCC[C@@H]1C ZINC000735734269 599170040 /nfs/dbraw/zinc/17/00/40/599170040.db2.gz GGVGSVNZKVHTPL-BLLLJJGKSA-N -1 3 377.489 3.524 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCCC[C@@H]1C ZINC000735734269 599170043 /nfs/dbraw/zinc/17/00/43/599170043.db2.gz GGVGSVNZKVHTPL-BLLLJJGKSA-N -1 3 377.489 3.524 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223249 599170809 /nfs/dbraw/zinc/17/08/09/599170809.db2.gz ISKDTMHDSLSTFB-PBFPGSCMSA-N -1 3 391.516 3.627 20 0 GHADHM CC(C)[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223249 599170812 /nfs/dbraw/zinc/17/08/12/599170812.db2.gz ISKDTMHDSLSTFB-PBFPGSCMSA-N -1 3 391.516 3.627 20 0 GHADHM Cc1nc(S[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)sc1C ZINC000737484676 599173844 /nfs/dbraw/zinc/17/38/44/599173844.db2.gz VWQMFUKLTOEGRP-VIFPVBQESA-N -1 3 394.913 3.713 20 0 GHADHM Cc1nc(S[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)sc1C ZINC000737484676 599173847 /nfs/dbraw/zinc/17/38/47/599173847.db2.gz VWQMFUKLTOEGRP-VIFPVBQESA-N -1 3 394.913 3.713 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cnc4ccsc4c3)c2-c2nnn[n-]2)C1 ZINC000736281770 599177119 /nfs/dbraw/zinc/17/71/19/599177119.db2.gz WNPRMAJGEMPUGL-SECBINFHSA-N -1 3 396.501 3.915 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)c3cnc4ccsc4c3)c2-c2nn[n-]n2)C1 ZINC000736281770 599177120 /nfs/dbraw/zinc/17/71/20/599177120.db2.gz WNPRMAJGEMPUGL-SECBINFHSA-N -1 3 396.501 3.915 20 0 GHADHM CCCCCC[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC000736448505 599177211 /nfs/dbraw/zinc/17/72/11/599177211.db2.gz ZDVMAMHUAWLIKX-NSHDSACASA-N -1 3 393.513 3.958 20 0 GHADHM CCCCCC[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC000736448505 599177213 /nfs/dbraw/zinc/17/72/13/599177213.db2.gz ZDVMAMHUAWLIKX-NSHDSACASA-N -1 3 393.513 3.958 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000823233343 599177369 /nfs/dbraw/zinc/17/73/69/599177369.db2.gz GHGXVRNOSYXTKZ-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000823233343 599177372 /nfs/dbraw/zinc/17/73/72/599177372.db2.gz GHGXVRNOSYXTKZ-RBUKOAKNSA-N -1 3 387.418 3.579 20 0 GHADHM CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCOCC1 ZINC000820577130 599219980 /nfs/dbraw/zinc/21/99/80/599219980.db2.gz LAPJYFJMOATEHP-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCOCC1 ZINC000820577130 599219982 /nfs/dbraw/zinc/21/99/82/599219982.db2.gz LAPJYFJMOATEHP-UHFFFAOYSA-N -1 3 397.410 3.553 20 0 GHADHM CCO[C@H](CC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821350901 599221131 /nfs/dbraw/zinc/22/11/31/599221131.db2.gz GFHXHDCCHQFKCV-OAHLLOKOSA-N -1 3 385.399 3.552 20 0 GHADHM CCO[C@H](CC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821350901 599221132 /nfs/dbraw/zinc/22/11/32/599221132.db2.gz GFHXHDCCHQFKCV-OAHLLOKOSA-N -1 3 385.399 3.552 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CSc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822232829 599221890 /nfs/dbraw/zinc/22/18/90/599221890.db2.gz BUCCHIIVWPRPJQ-DYVFJYSZSA-N -1 3 397.504 3.860 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822232829 599221892 /nfs/dbraw/zinc/22/18/92/599221892.db2.gz BUCCHIIVWPRPJQ-DYVFJYSZSA-N -1 3 397.504 3.860 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823309289 607260774 /nfs/dbraw/zinc/26/07/74/607260774.db2.gz WBHXNAPXLVSFSJ-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000823309289 607260775 /nfs/dbraw/zinc/26/07/75/607260775.db2.gz WBHXNAPXLVSFSJ-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM C[C@@H]1COc2ccccc2N1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820813622 599230473 /nfs/dbraw/zinc/23/04/73/599230473.db2.gz KVFWBAIYOPWBIJ-SNVBAGLBSA-N -1 3 386.868 3.504 20 0 GHADHM C[C@@H]1COc2ccccc2N1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820813622 599230476 /nfs/dbraw/zinc/23/04/76/599230476.db2.gz KVFWBAIYOPWBIJ-SNVBAGLBSA-N -1 3 386.868 3.504 20 0 GHADHM O=C(Nc1ccc(-c2ccccc2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823299123 607262338 /nfs/dbraw/zinc/26/23/38/607262338.db2.gz IUFZXBNXNKUMKN-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccc(-c2ccccc2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823299123 607262339 /nfs/dbraw/zinc/26/23/39/607262339.db2.gz IUFZXBNXNKUMKN-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3ccccc3Cl)on2)cccc1-c1nnn[n-]1 ZINC000822105594 607267192 /nfs/dbraw/zinc/26/71/92/607267192.db2.gz VMIASMWUNWRUKK-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)c2cc(-c3ccccc3Cl)on2)cccc1-c1nn[n-]n1 ZINC000822105594 607267193 /nfs/dbraw/zinc/26/71/93/607267193.db2.gz VMIASMWUNWRUKK-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM CCCC[C@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736438606 599241488 /nfs/dbraw/zinc/24/14/88/599241488.db2.gz OFXUPKQBEGZBRT-LBPRGKRZSA-N -1 3 393.875 3.608 20 0 GHADHM CCCC[C@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736438606 599241490 /nfs/dbraw/zinc/24/14/90/599241490.db2.gz OFXUPKQBEGZBRT-LBPRGKRZSA-N -1 3 393.875 3.608 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737809223 599247262 /nfs/dbraw/zinc/24/72/62/599247262.db2.gz UXDZHVGDMHGVKO-YVMONPNESA-N -1 3 376.807 3.720 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737809223 599247263 /nfs/dbraw/zinc/24/72/63/599247263.db2.gz UXDZHVGDMHGVKO-YVMONPNESA-N -1 3 376.807 3.720 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000820269059 599248656 /nfs/dbraw/zinc/24/86/56/599248656.db2.gz GPWHXDSVSBKFHH-VIFPVBQESA-N -1 3 392.797 3.724 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000820269059 599248658 /nfs/dbraw/zinc/24/86/58/599248658.db2.gz GPWHXDSVSBKFHH-VIFPVBQESA-N -1 3 392.797 3.724 20 0 GHADHM Cc1c(NC(=O)NCc2ccccc2OC2CCCC2)cccc1-c1nnn[n-]1 ZINC000822104223 607287627 /nfs/dbraw/zinc/28/76/27/607287627.db2.gz LLMBZAQEOBBHFF-UHFFFAOYSA-N -1 3 392.463 3.818 20 0 GHADHM Cc1c(NC(=O)NCc2ccccc2OC2CCCC2)cccc1-c1nn[n-]n1 ZINC000822104223 607287628 /nfs/dbraw/zinc/28/76/28/607287628.db2.gz LLMBZAQEOBBHFF-UHFFFAOYSA-N -1 3 392.463 3.818 20 0 GHADHM Cc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(OCC2CC2)c1 ZINC000822237247 607286150 /nfs/dbraw/zinc/28/61/50/607286150.db2.gz LVWOTPBTQQMHCS-UHFFFAOYSA-N -1 3 392.463 3.594 20 0 GHADHM Cc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(OCC2CC2)c1 ZINC000822237247 607286151 /nfs/dbraw/zinc/28/61/51/607286151.db2.gz LVWOTPBTQQMHCS-UHFFFAOYSA-N -1 3 392.463 3.594 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822083568 607286484 /nfs/dbraw/zinc/28/64/84/607286484.db2.gz CLETVFRKOSLGIC-QGZVFWFLSA-N -1 3 384.390 3.822 20 0 GHADHM Cc1c(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822083568 607286485 /nfs/dbraw/zinc/28/64/85/607286485.db2.gz CLETVFRKOSLGIC-QGZVFWFLSA-N -1 3 384.390 3.822 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821417577 607287139 /nfs/dbraw/zinc/28/71/39/607287139.db2.gz PACFOGMUOOKIFR-IBGZPJMESA-N -1 3 392.463 3.943 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821417577 607287140 /nfs/dbraw/zinc/28/71/40/607287140.db2.gz PACFOGMUOOKIFR-IBGZPJMESA-N -1 3 392.463 3.943 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822356192 607291913 /nfs/dbraw/zinc/29/19/13/607291913.db2.gz MFOMCHBXGDHSCB-QGZVFWFLSA-N -1 3 376.464 3.723 20 0 GHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822356192 607291914 /nfs/dbraw/zinc/29/19/14/607291914.db2.gz MFOMCHBXGDHSCB-QGZVFWFLSA-N -1 3 376.464 3.723 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1Cl ZINC000820404536 607301165 /nfs/dbraw/zinc/30/11/65/607301165.db2.gz XJOAALSDOSTTSP-ZETCQYMHSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1Cl ZINC000820404536 607301166 /nfs/dbraw/zinc/30/11/66/607301166.db2.gz XJOAALSDOSTTSP-ZETCQYMHSA-N -1 3 397.653 3.713 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000736112876 599261460 /nfs/dbraw/zinc/26/14/60/599261460.db2.gz VQICGXFOOCBYHJ-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000736112876 599261462 /nfs/dbraw/zinc/26/14/62/599261462.db2.gz VQICGXFOOCBYHJ-JTQLQIEISA-N -1 3 376.247 3.593 20 0 GHADHM Cc1cc(F)cc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822203322 607308477 /nfs/dbraw/zinc/30/84/77/607308477.db2.gz OMOHBEGJGUMHRX-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1nc(-c2cccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)c2)cs1 ZINC000822418687 607309272 /nfs/dbraw/zinc/30/92/72/607309272.db2.gz DGHYOAKHSCBMEF-UHFFFAOYSA-N -1 3 388.460 3.558 20 0 GHADHM Cc1nc(-c2cccc(NCc3cnc4ccc(-c5nn[n-]n5)cn34)c2)cs1 ZINC000822418687 607309273 /nfs/dbraw/zinc/30/92/73/607309273.db2.gz DGHYOAKHSCBMEF-UHFFFAOYSA-N -1 3 388.460 3.558 20 0 GHADHM c1sc(CNc2cccc(-c3nnc4n3CCCCC4)c2)cc1-c1nnn[n-]1 ZINC000823757804 607311111 /nfs/dbraw/zinc/31/11/11/607311111.db2.gz WLWCXGFJURJVRI-UHFFFAOYSA-N -1 3 392.492 3.525 20 0 GHADHM c1sc(CNc2cccc(-c3nnc4n3CCCCC4)c2)cc1-c1nn[n-]n1 ZINC000823757804 607311112 /nfs/dbraw/zinc/31/11/12/607311112.db2.gz WLWCXGFJURJVRI-UHFFFAOYSA-N -1 3 392.492 3.525 20 0 GHADHM c1nc(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)n2c1CCCC2 ZINC000823737999 607313692 /nfs/dbraw/zinc/31/36/92/607313692.db2.gz MNQOSNWGSALUSN-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM c1nc(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)n2c1CCCC2 ZINC000823737999 607313693 /nfs/dbraw/zinc/31/36/93/607313693.db2.gz MNQOSNWGSALUSN-UHFFFAOYSA-N -1 3 377.477 3.740 20 0 GHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737390746 599265317 /nfs/dbraw/zinc/26/53/17/599265317.db2.gz WRJVKBQHYCOHEJ-FQEVSTJZSA-N -1 3 390.491 3.731 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000735639807 599267726 /nfs/dbraw/zinc/26/77/26/599267726.db2.gz PBWOZVFYMYDSOF-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000735639807 599267727 /nfs/dbraw/zinc/26/77/27/599267727.db2.gz PBWOZVFYMYDSOF-UHFFFAOYSA-N -1 3 384.415 3.965 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000820913335 599269292 /nfs/dbraw/zinc/26/92/92/599269292.db2.gz FTSAJBCDUVCJRM-SFHVURJKSA-N -1 3 378.480 3.969 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000820913335 599269295 /nfs/dbraw/zinc/26/92/95/599269295.db2.gz FTSAJBCDUVCJRM-SFHVURJKSA-N -1 3 378.480 3.969 20 0 GHADHM CN(CCCOc1ccccc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736798314 599272510 /nfs/dbraw/zinc/27/25/10/599272510.db2.gz UWMGDRYWOIXQRG-UHFFFAOYSA-N -1 3 396.401 3.598 20 0 GHADHM CN(CCCOc1ccccc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736798314 599272514 /nfs/dbraw/zinc/27/25/14/599272514.db2.gz UWMGDRYWOIXQRG-UHFFFAOYSA-N -1 3 396.401 3.598 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820373510 599276160 /nfs/dbraw/zinc/27/61/60/599276160.db2.gz JABWIOLKMJGHLY-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820373510 599276163 /nfs/dbraw/zinc/27/61/63/599276163.db2.gz JABWIOLKMJGHLY-SECBINFHSA-N -1 3 394.332 3.907 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821034657 599276947 /nfs/dbraw/zinc/27/69/47/599276947.db2.gz QTDRBVOAISFAHQ-BXUZGUMPSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821034657 599276949 /nfs/dbraw/zinc/27/69/49/599276949.db2.gz QTDRBVOAISFAHQ-BXUZGUMPSA-N -1 3 394.426 3.901 20 0 GHADHM Cc1c2c(sc1NC(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737219928 599279804 /nfs/dbraw/zinc/27/98/04/599279804.db2.gz UIBNJZJVNPVADF-LBPRGKRZSA-N -1 3 383.477 3.521 20 0 GHADHM Cc1cc(C)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000822194112 607320435 /nfs/dbraw/zinc/32/04/35/607320435.db2.gz JBWRKAOKHFBZJT-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1cc(C)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000822194112 607320436 /nfs/dbraw/zinc/32/04/36/607320436.db2.gz JBWRKAOKHFBZJT-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000822929425 607320559 /nfs/dbraw/zinc/32/05/59/607320559.db2.gz UGGFSRVOUJFHBQ-POGDKVGISA-N -1 3 395.413 3.912 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000822929425 607320560 /nfs/dbraw/zinc/32/05/60/607320560.db2.gz UGGFSRVOUJFHBQ-POGDKVGISA-N -1 3 395.413 3.912 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821060709 599281335 /nfs/dbraw/zinc/28/13/35/599281335.db2.gz IRFLIMMDDQGMFS-UHFFFAOYSA-N -1 3 397.458 3.564 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821060709 599281338 /nfs/dbraw/zinc/28/13/38/599281338.db2.gz IRFLIMMDDQGMFS-UHFFFAOYSA-N -1 3 397.458 3.564 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000735588134 599282546 /nfs/dbraw/zinc/28/25/46/599282546.db2.gz ARLZZUSSHZGZIB-MRXNPFEDSA-N -1 3 399.417 3.509 20 0 GHADHM CC(C)(C)[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000735588134 599282549 /nfs/dbraw/zinc/28/25/49/599282549.db2.gz ARLZZUSSHZGZIB-MRXNPFEDSA-N -1 3 399.417 3.509 20 0 GHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000737221242 599283054 /nfs/dbraw/zinc/28/30/54/599283054.db2.gz HIRSJUGUIXPQNQ-IBGZPJMESA-N -1 3 397.454 3.515 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737345397 599290422 /nfs/dbraw/zinc/29/04/22/599290422.db2.gz QKAFQBKTHLXWSN-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1ccc(F)c(N2CCC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737345397 599290424 /nfs/dbraw/zinc/29/04/24/599290424.db2.gz QKAFQBKTHLXWSN-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CSc2ccccc21 ZINC000735829323 599290980 /nfs/dbraw/zinc/29/09/80/599290980.db2.gz HUHAZIPXFGGNRF-SFHVURJKSA-N -1 3 393.516 3.741 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CSc2ccccc21 ZINC000735829323 599290983 /nfs/dbraw/zinc/29/09/83/599290983.db2.gz HUHAZIPXFGGNRF-SFHVURJKSA-N -1 3 393.516 3.741 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1cccc(F)c1-c1nnn[n-]1 ZINC000736798402 598248166 /nfs/dbraw/zinc/24/81/66/598248166.db2.gz YTGVUPKREMSXME-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM CN(CCCc1cc(-c2ccc(F)cc2)no1)c1cccc(F)c1-c1nn[n-]n1 ZINC000736798402 598248167 /nfs/dbraw/zinc/24/81/67/598248167.db2.gz YTGVUPKREMSXME-UHFFFAOYSA-N -1 3 396.401 3.869 20 0 GHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000737638304 598253071 /nfs/dbraw/zinc/25/30/71/598253071.db2.gz GCUINOLKZJOGTG-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000737638304 598253073 /nfs/dbraw/zinc/25/30/73/598253073.db2.gz GCUINOLKZJOGTG-UHFFFAOYSA-N -1 3 382.830 3.699 20 0 GHADHM CCCCOCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736462608 598267239 /nfs/dbraw/zinc/26/72/39/598267239.db2.gz DZSRBSZJKHJUNV-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM CCCCOCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736462608 598267243 /nfs/dbraw/zinc/26/72/43/598267243.db2.gz DZSRBSZJKHJUNV-UHFFFAOYSA-N -1 3 396.451 3.597 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000736114289 598276190 /nfs/dbraw/zinc/27/61/90/598276190.db2.gz AHXGJBNHEIMFRK-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000736114289 598276191 /nfs/dbraw/zinc/27/61/91/598276191.db2.gz AHXGJBNHEIMFRK-JTQLQIEISA-N -1 3 389.410 3.584 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC(c2ccccc2)CC1 ZINC000735660296 598277651 /nfs/dbraw/zinc/27/76/51/598277651.db2.gz LIAMAMZEWWPVKP-UHFFFAOYSA-N -1 3 393.495 3.835 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC(c2ccccc2)CC1 ZINC000735660296 598277653 /nfs/dbraw/zinc/27/76/53/598277653.db2.gz LIAMAMZEWWPVKP-UHFFFAOYSA-N -1 3 393.495 3.835 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737379528 598279758 /nfs/dbraw/zinc/27/97/58/598279758.db2.gz YYIRVAMMAREWMJ-MRXNPFEDSA-N -1 3 379.468 3.541 20 0 GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737379528 598279760 /nfs/dbraw/zinc/27/97/60/598279760.db2.gz YYIRVAMMAREWMJ-MRXNPFEDSA-N -1 3 379.468 3.541 20 0 GHADHM Fc1ccc(-c2nn(Cc3ccc(-c4nnn[n-]4)cc3)cc2Br)cc1 ZINC000737649026 598283662 /nfs/dbraw/zinc/28/36/62/598283662.db2.gz CZGYXQIJIGOBFK-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1ccc(-c2nn(Cc3ccc(-c4nn[n-]n4)cc3)cc2Br)cc1 ZINC000737649026 598283663 /nfs/dbraw/zinc/28/36/63/598283663.db2.gz CZGYXQIJIGOBFK-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736189090 598287454 /nfs/dbraw/zinc/28/74/54/598287454.db2.gz AMDJRLZVQJPHGX-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736189090 598287457 /nfs/dbraw/zinc/28/74/57/598287457.db2.gz AMDJRLZVQJPHGX-MRVPVSSYSA-N -1 3 395.822 3.918 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1csc(-c2c(F)cccc2F)n1 ZINC000738211974 598296723 /nfs/dbraw/zinc/29/67/23/598296723.db2.gz VFBRLACHRKPFET-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1csc(-c2c(F)cccc2F)n1 ZINC000738211974 598296725 /nfs/dbraw/zinc/29/67/25/598296725.db2.gz VFBRLACHRKPFET-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736328328 598297064 /nfs/dbraw/zinc/29/70/64/598297064.db2.gz OFVHQQGJRAIPDI-OQVYKUJFSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736328328 598297066 /nfs/dbraw/zinc/29/70/66/598297066.db2.gz OFVHQQGJRAIPDI-OQVYKUJFSA-N -1 3 391.475 3.935 20 0 GHADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CCCCC2)c1 ZINC000737389074 598301011 /nfs/dbraw/zinc/30/10/11/598301011.db2.gz IHBYKXCOENFHIV-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM Cc1cccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CCCCC2)c1 ZINC000737389074 598301013 /nfs/dbraw/zinc/30/10/13/598301013.db2.gz IHBYKXCOENFHIV-UHFFFAOYSA-N -1 3 393.466 3.833 20 0 GHADHM Fc1cccc(-n2ccc(CSCc3cc(-c4nnn[n-]4)ccc3F)n2)c1 ZINC000737668445 598315774 /nfs/dbraw/zinc/31/57/74/598315774.db2.gz VGIIHFFWNKSRGV-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Fc1cccc(-n2ccc(CSCc3cc(-c4nn[n-]n4)ccc3F)n2)c1 ZINC000737668445 598315776 /nfs/dbraw/zinc/31/57/76/598315776.db2.gz VGIIHFFWNKSRGV-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737141736 598317395 /nfs/dbraw/zinc/31/73/95/598317395.db2.gz KCEBWGIFYRFUIM-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM COc1ccccc1[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737141736 598317398 /nfs/dbraw/zinc/31/73/98/598317398.db2.gz KCEBWGIFYRFUIM-SNVBAGLBSA-N -1 3 388.884 3.576 20 0 GHADHM CC(C)c1nc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cs1 ZINC000735940602 598325104 /nfs/dbraw/zinc/32/51/04/598325104.db2.gz RWGBRHNAQJXGLY-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM CC(C)c1nc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cs1 ZINC000735940602 598325106 /nfs/dbraw/zinc/32/51/06/598325106.db2.gz RWGBRHNAQJXGLY-UHFFFAOYSA-N -1 3 397.489 3.822 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000732088102 598358112 /nfs/dbraw/zinc/35/81/12/598358112.db2.gz KSMKLXWYLLKADA-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000732088102 598358114 /nfs/dbraw/zinc/35/81/14/598358114.db2.gz KSMKLXWYLLKADA-UHFFFAOYSA-N -1 3 391.381 3.742 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1csc2ccccc21 ZINC000736184795 598359897 /nfs/dbraw/zinc/35/98/97/598359897.db2.gz NSLHYSDFTHQNKU-STQMWFEESA-N -1 3 393.472 3.726 20 0 GHADHM C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1csc2ccccc21 ZINC000736184795 598359899 /nfs/dbraw/zinc/35/98/99/598359899.db2.gz NSLHYSDFTHQNKU-STQMWFEESA-N -1 3 393.472 3.726 20 0 GHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Br)cc1 ZINC000736136075 598392150 /nfs/dbraw/zinc/39/21/50/598392150.db2.gz DSNJUHOKFKZGJM-QMMMGPOBSA-N -1 3 379.649 3.851 20 0 GHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Br)cc1 ZINC000736136075 598392152 /nfs/dbraw/zinc/39/21/52/598392152.db2.gz DSNJUHOKFKZGJM-QMMMGPOBSA-N -1 3 379.649 3.851 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3sccc3-c3nnn[n-]3)c(F)c2)cc1 ZINC000737056686 598394102 /nfs/dbraw/zinc/39/41/02/598394102.db2.gz YEZYMNIDULJLIE-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM COc1ccc(-c2ccc(C(=O)Nc3sccc3-c3nn[n-]n3)c(F)c2)cc1 ZINC000737056686 598394104 /nfs/dbraw/zinc/39/41/04/598394104.db2.gz YEZYMNIDULJLIE-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737634680 598394467 /nfs/dbraw/zinc/39/44/67/598394467.db2.gz AAURGFAWLNISAR-ZWNOBZJWSA-N -1 3 380.761 3.902 20 0 GHADHM FC(F)(F)c1ccccc1[C@H]1C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737634680 598394470 /nfs/dbraw/zinc/39/44/70/598394470.db2.gz AAURGFAWLNISAR-ZWNOBZJWSA-N -1 3 380.761 3.902 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735734637 598416214 /nfs/dbraw/zinc/41/62/14/598416214.db2.gz IMJOBHZVZIGUDC-SFHVURJKSA-N -1 3 381.505 3.642 20 0 GHADHM CC(C)[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735734637 598416215 /nfs/dbraw/zinc/41/62/15/598416215.db2.gz IMJOBHZVZIGUDC-SFHVURJKSA-N -1 3 381.505 3.642 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000737056247 598418713 /nfs/dbraw/zinc/41/87/13/598418713.db2.gz ASQPIIWKEIXPBI-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000737056247 598418714 /nfs/dbraw/zinc/41/87/14/598418714.db2.gz ASQPIIWKEIXPBI-KRWDZBQOSA-N -1 3 383.477 3.631 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736733825 598420871 /nfs/dbraw/zinc/42/08/71/598420871.db2.gz ZNBYEWXCNFFABB-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736733825 598420874 /nfs/dbraw/zinc/42/08/74/598420874.db2.gz ZNBYEWXCNFFABB-LSDHHAIUSA-N -1 3 388.258 3.940 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737253056 598423180 /nfs/dbraw/zinc/42/31/80/598423180.db2.gz OTOBZYWVDBPZLQ-HNNXBMFYSA-N -1 3 381.505 3.594 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737253056 598423182 /nfs/dbraw/zinc/42/31/82/598423182.db2.gz OTOBZYWVDBPZLQ-HNNXBMFYSA-N -1 3 381.505 3.594 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000735992454 598428080 /nfs/dbraw/zinc/42/80/80/598428080.db2.gz GRUJXKUYXVVOHS-KRWDZBQOSA-N -1 3 392.507 3.808 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000735992454 598428083 /nfs/dbraw/zinc/42/80/83/598428083.db2.gz GRUJXKUYXVVOHS-KRWDZBQOSA-N -1 3 392.507 3.808 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736119366 598428833 /nfs/dbraw/zinc/42/88/33/598428833.db2.gz XYSXVGPPBRGRMR-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000736119366 598428835 /nfs/dbraw/zinc/42/88/35/598428835.db2.gz XYSXVGPPBRGRMR-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM CCS[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(C)C ZINC000736666417 598442116 /nfs/dbraw/zinc/44/21/16/598442116.db2.gz RXKKUZNGZVDIHA-QGZVFWFLSA-N -1 3 398.492 3.770 20 0 GHADHM CCS[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(C)C ZINC000736666417 598442117 /nfs/dbraw/zinc/44/21/17/598442117.db2.gz RXKKUZNGZVDIHA-QGZVFWFLSA-N -1 3 398.492 3.770 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502984 598442279 /nfs/dbraw/zinc/44/22/79/598442279.db2.gz RNQAEYXGYODFMZ-IYOXOMEYSA-N -1 3 391.475 3.888 20 0 GHADHM CCN(C(=O)C=C(C)c1ccccc1OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502984 598442280 /nfs/dbraw/zinc/44/22/80/598442280.db2.gz RNQAEYXGYODFMZ-IYOXOMEYSA-N -1 3 391.475 3.888 20 0 GHADHM Clc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)cc1Cl ZINC000737570658 598457417 /nfs/dbraw/zinc/45/74/17/598457417.db2.gz JWGAKVTXSSBXCJ-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM O=C(Nc1ccc2scnc2c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738177723 598477409 /nfs/dbraw/zinc/47/74/09/598477409.db2.gz MOMUOEDJSWAXJS-UHFFFAOYSA-N -1 3 391.460 3.673 20 0 GHADHM O=C(Nc1ccc2scnc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738177723 598477410 /nfs/dbraw/zinc/47/74/10/598477410.db2.gz MOMUOEDJSWAXJS-UHFFFAOYSA-N -1 3 391.460 3.673 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148451 598485723 /nfs/dbraw/zinc/48/57/23/598485723.db2.gz CVNMRMOHXNBBAJ-QEHWCHDUSA-N -1 3 389.209 3.540 20 0 GHADHM C[C@@H](OC(=O)C=Cc1ccc(Br)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148451 598485724 /nfs/dbraw/zinc/48/57/24/598485724.db2.gz CVNMRMOHXNBBAJ-QEHWCHDUSA-N -1 3 389.209 3.540 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160047 598486701 /nfs/dbraw/zinc/48/67/01/598486701.db2.gz PAFLYEKGKYQORS-NSHDSACASA-N -1 3 397.485 3.899 20 0 GHADHM C[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160047 598486703 /nfs/dbraw/zinc/48/67/03/598486703.db2.gz PAFLYEKGKYQORS-NSHDSACASA-N -1 3 397.485 3.899 20 0 GHADHM C[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156446 598487483 /nfs/dbraw/zinc/48/74/83/598487483.db2.gz WFGGFXFKEMTUPP-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM C[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156446 598487485 /nfs/dbraw/zinc/48/74/85/598487485.db2.gz WFGGFXFKEMTUPP-LLVKDONJSA-N -1 3 392.337 3.569 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737548166 598490369 /nfs/dbraw/zinc/49/03/69/598490369.db2.gz NWHWGPMQGFYQOB-ZDUSSCGKSA-N -1 3 389.415 3.677 20 0 GHADHM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737548166 598490370 /nfs/dbraw/zinc/49/03/70/598490370.db2.gz NWHWGPMQGFYQOB-ZDUSSCGKSA-N -1 3 389.415 3.677 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(-c3ccoc3)n2)c1-c1nnn[n-]1 ZINC000736678398 598494332 /nfs/dbraw/zinc/49/43/32/598494332.db2.gz CAQRKTJFGNGRTF-UHFFFAOYSA-N -1 3 386.462 3.768 20 0 GHADHM CCc1c(C)sc(NC(=O)c2csc(-c3ccoc3)n2)c1-c1nn[n-]n1 ZINC000736678398 598494334 /nfs/dbraw/zinc/49/43/34/598494334.db2.gz CAQRKTJFGNGRTF-UHFFFAOYSA-N -1 3 386.462 3.768 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000736686065 598498132 /nfs/dbraw/zinc/49/81/32/598498132.db2.gz JBSZJUDTAJKJNH-MRXNPFEDSA-N -1 3 377.492 3.970 20 0 GHADHM CCc1ccc([C@@H](C)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000736686065 598498135 /nfs/dbraw/zinc/49/81/35/598498135.db2.gz JBSZJUDTAJKJNH-MRXNPFEDSA-N -1 3 377.492 3.970 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000736676299 598516544 /nfs/dbraw/zinc/51/65/44/598516544.db2.gz QZCIGWJDLUWROU-UHFFFAOYSA-N -1 3 389.506 3.538 20 0 GHADHM CCc1c(C)sc(NC(=O)CSc2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000736676299 598516545 /nfs/dbraw/zinc/51/65/45/598516545.db2.gz QZCIGWJDLUWROU-UHFFFAOYSA-N -1 3 389.506 3.538 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OC(F)F)c1-c1nnn[n-]1 ZINC000736676357 598519184 /nfs/dbraw/zinc/51/91/84/598519184.db2.gz SLGDZYHGYXCPAQ-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccccc2OC(F)F)c1-c1nn[n-]n1 ZINC000736676357 598519185 /nfs/dbraw/zinc/51/91/85/598519185.db2.gz SLGDZYHGYXCPAQ-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736349927 598534312 /nfs/dbraw/zinc/53/43/12/598534312.db2.gz JLJVJVKZDGUGPE-FQEVSTJZSA-N -1 3 392.507 3.808 20 0 GHADHM CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736349927 598534314 /nfs/dbraw/zinc/53/43/14/598534314.db2.gz JLJVJVKZDGUGPE-FQEVSTJZSA-N -1 3 392.507 3.808 20 0 GHADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736188822 598537371 /nfs/dbraw/zinc/53/73/71/598537371.db2.gz QFXDUUMELWNVKL-GTNSWQLSSA-N -1 3 384.823 3.518 20 0 GHADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736188822 598537373 /nfs/dbraw/zinc/53/73/73/598537373.db2.gz QFXDUUMELWNVKL-GTNSWQLSSA-N -1 3 384.823 3.518 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000737059222 598544108 /nfs/dbraw/zinc/54/41/08/598544108.db2.gz SJQMPSYTFFRKMR-AWEZNQCLSA-N -1 3 392.463 3.708 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000737059222 598544110 /nfs/dbraw/zinc/54/41/10/598544110.db2.gz SJQMPSYTFFRKMR-AWEZNQCLSA-N -1 3 392.463 3.708 20 0 GHADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)N(c1ccccc1)C1CCCCC1 ZINC000737916621 598550852 /nfs/dbraw/zinc/55/08/52/598550852.db2.gz PBTNYPOJDZCQHP-UHFFFAOYSA-N -1 3 395.438 3.751 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)N(c1ccccc1)C1CCCCC1 ZINC000737916621 598550854 /nfs/dbraw/zinc/55/08/54/598550854.db2.gz PBTNYPOJDZCQHP-UHFFFAOYSA-N -1 3 395.438 3.751 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)c1ccccc1F ZINC000736278938 598551463 /nfs/dbraw/zinc/55/14/63/598551463.db2.gz IDWPJBHBHOTRFS-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2)c1ccccc1F ZINC000736278938 598551464 /nfs/dbraw/zinc/55/14/64/598551464.db2.gz IDWPJBHBHOTRFS-QWRGUYRKSA-N -1 3 385.468 3.934 20 0 GHADHM CCc1noc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736712386 598553536 /nfs/dbraw/zinc/55/35/36/598553536.db2.gz FSTRSEDVJQJVKM-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM CCc1noc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736712386 598553538 /nfs/dbraw/zinc/55/35/38/598553538.db2.gz FSTRSEDVJQJVKM-UHFFFAOYSA-N -1 3 390.403 3.770 20 0 GHADHM O=C(C=Cc1cccnc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737802641 598554090 /nfs/dbraw/zinc/55/40/90/598554090.db2.gz PZCTZRPLFGPJNO-IZZDOVSWSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1cccnc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737802641 598554092 /nfs/dbraw/zinc/55/40/92/598554092.db2.gz PZCTZRPLFGPJNO-IZZDOVSWSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cc(Cl)ccn1 ZINC000738172473 598554159 /nfs/dbraw/zinc/55/41/59/598554159.db2.gz MKRWPHYLUXNUDW-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc(Cl)ccn1 ZINC000738172473 598554161 /nfs/dbraw/zinc/55/41/61/598554161.db2.gz MKRWPHYLUXNUDW-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n[nH]1 ZINC000735923440 598555820 /nfs/dbraw/zinc/55/58/20/598555820.db2.gz UAIHKQADZOXCMT-UHFFFAOYSA-N -1 3 389.419 3.758 20 0 GHADHM CC(C)c1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n[nH]1 ZINC000735923440 598555821 /nfs/dbraw/zinc/55/58/21/598555821.db2.gz UAIHKQADZOXCMT-UHFFFAOYSA-N -1 3 389.419 3.758 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC[C@H]1C[C@@H]1C ZINC000737280289 598559222 /nfs/dbraw/zinc/55/92/22/598559222.db2.gz PGBAEWAVWSUNKU-SUMWQHHRSA-N -1 3 392.463 3.532 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NC[C@H]1C[C@@H]1C ZINC000737280289 598559223 /nfs/dbraw/zinc/55/92/23/598559223.db2.gz PGBAEWAVWSUNKU-SUMWQHHRSA-N -1 3 392.463 3.532 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162935 598568879 /nfs/dbraw/zinc/56/88/79/598568879.db2.gz IEIRPKHAPJGQOZ-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738162935 598568881 /nfs/dbraw/zinc/56/88/81/598568881.db2.gz IEIRPKHAPJGQOZ-MNOVXSKESA-N -1 3 375.766 3.541 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1OC ZINC000737091499 598571410 /nfs/dbraw/zinc/57/14/10/598571410.db2.gz VHGDKXLEYQDAIH-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1OC ZINC000737091499 598571411 /nfs/dbraw/zinc/57/14/11/598571411.db2.gz VHGDKXLEYQDAIH-UHFFFAOYSA-N -1 3 393.369 3.539 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCOc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736277591 598582143 /nfs/dbraw/zinc/58/21/43/598582143.db2.gz AGLPTAQVRQVUGT-WCQYABFASA-N -1 3 395.488 3.558 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCOc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736277591 598582144 /nfs/dbraw/zinc/58/21/44/598582144.db2.gz AGLPTAQVRQVUGT-WCQYABFASA-N -1 3 395.488 3.558 20 0 GHADHM CC[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000736379734 598584635 /nfs/dbraw/zinc/58/46/35/598584635.db2.gz DADIOJFOLLRXQY-SFHVURJKSA-N -1 3 398.488 3.803 20 0 GHADHM CC[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000736379734 598584637 /nfs/dbraw/zinc/58/46/37/598584637.db2.gz DADIOJFOLLRXQY-SFHVURJKSA-N -1 3 398.488 3.803 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000738163095 598586995 /nfs/dbraw/zinc/58/69/95/598586995.db2.gz OBMADTRKOONUEW-IBGZPJMESA-N -1 3 389.390 3.765 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000738163095 598586996 /nfs/dbraw/zinc/58/69/96/598586996.db2.gz OBMADTRKOONUEW-IBGZPJMESA-N -1 3 389.390 3.765 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737916656 598590961 /nfs/dbraw/zinc/59/09/61/598590961.db2.gz PSZOCNFIKWMGTQ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737916656 598590963 /nfs/dbraw/zinc/59/09/63/598590963.db2.gz PSZOCNFIKWMGTQ-UHFFFAOYSA-N -1 3 389.390 3.690 20 0 GHADHM c1cc(-c2nc(-c3ccccc3)no2)oc1COc1ccccc1-c1nnn[n-]1 ZINC000738425179 598608081 /nfs/dbraw/zinc/60/80/81/598608081.db2.gz LDZOVHXMRQTHQS-UHFFFAOYSA-N -1 3 386.371 3.756 20 0 GHADHM c1cc(-c2nc(-c3ccccc3)no2)oc1COc1ccccc1-c1nn[n-]n1 ZINC000738425179 598608082 /nfs/dbraw/zinc/60/80/82/598608082.db2.gz LDZOVHXMRQTHQS-UHFFFAOYSA-N -1 3 386.371 3.756 20 0 GHADHM CC(C)(C)c1noc(-c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000735656511 598609670 /nfs/dbraw/zinc/60/96/70/598609670.db2.gz YMPODKATEGGILM-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM CC(C)(C)c1noc(-c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000735656511 598609672 /nfs/dbraw/zinc/60/96/72/598609672.db2.gz YMPODKATEGGILM-UHFFFAOYSA-N -1 3 376.420 3.793 20 0 GHADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc(Cc2cccc3cccnc32)no1 ZINC000735401080 598609784 /nfs/dbraw/zinc/60/97/84/598609784.db2.gz XLGNVPRCKLPJMZ-ZHACJKMWSA-N -1 3 381.399 3.559 20 0 GHADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc(Cc2cccc3cccnc32)no1 ZINC000735401080 598609786 /nfs/dbraw/zinc/60/97/86/598609786.db2.gz XLGNVPRCKLPJMZ-ZHACJKMWSA-N -1 3 381.399 3.559 20 0 GHADHM O=C(NCCc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738088655 598628086 /nfs/dbraw/zinc/62/80/86/598628086.db2.gz SPUNZORHROQBJJ-UHFFFAOYSA-N -1 3 376.395 3.523 20 0 GHADHM O=C(NCCc1ccc2ccccc2c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738088655 598628088 /nfs/dbraw/zinc/62/80/88/598628088.db2.gz SPUNZORHROQBJJ-UHFFFAOYSA-N -1 3 376.395 3.523 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816665 598630425 /nfs/dbraw/zinc/63/04/25/598630425.db2.gz MPNANAHVAUUDIV-UHFFFAOYSA-N -1 3 382.443 3.967 20 0 GHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816665 598630428 /nfs/dbraw/zinc/63/04/28/598630428.db2.gz MPNANAHVAUUDIV-UHFFFAOYSA-N -1 3 382.443 3.967 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737520137 598631909 /nfs/dbraw/zinc/63/19/09/598631909.db2.gz AZVLTVGLEUWCPZ-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM Cc1nn(Cc2ccccc2)c(C)c1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737520137 598631910 /nfs/dbraw/zinc/63/19/10/598631910.db2.gz AZVLTVGLEUWCPZ-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737803885 598642188 /nfs/dbraw/zinc/64/21/88/598642188.db2.gz WIHLZRBFWKFEEH-JNCYCUAHSA-N -1 3 383.411 3.608 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H](c1ccccc1)c1cccnc1 ZINC000737803885 598642191 /nfs/dbraw/zinc/64/21/91/598642191.db2.gz WIHLZRBFWKFEEH-JNCYCUAHSA-N -1 3 383.411 3.608 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000737831782 598644005 /nfs/dbraw/zinc/64/40/05/598644005.db2.gz DVQVJWIQGCAJNY-UHFFFAOYSA-N -1 3 395.507 3.501 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000737831782 598644008 /nfs/dbraw/zinc/64/40/08/598644008.db2.gz DVQVJWIQGCAJNY-UHFFFAOYSA-N -1 3 395.507 3.501 20 0 GHADHM CCC(=O)c1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736310166 598644554 /nfs/dbraw/zinc/64/45/54/598644554.db2.gz VNZPGCMTHYPJDF-UHFFFAOYSA-N -1 3 394.431 3.614 20 0 GHADHM CCC(=O)c1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736310166 598644556 /nfs/dbraw/zinc/64/45/56/598644556.db2.gz VNZPGCMTHYPJDF-UHFFFAOYSA-N -1 3 394.431 3.614 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(Cl)c1 ZINC000737832308 598645464 /nfs/dbraw/zinc/64/54/64/598645464.db2.gz JFJBDIIWEPJXNX-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(Cl)c1 ZINC000737832308 598645466 /nfs/dbraw/zinc/64/54/66/598645466.db2.gz JFJBDIIWEPJXNX-UHFFFAOYSA-N -1 3 389.818 3.847 20 0 GHADHM O=C(OC[C@H]1CC=CCC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738219028 598645545 /nfs/dbraw/zinc/64/55/45/598645545.db2.gz KDFASRWSBARBMV-AWEZNQCLSA-N -1 3 377.404 3.567 20 0 GHADHM O=C(OC[C@H]1CC=CCC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738219028 598645546 /nfs/dbraw/zinc/64/55/46/598645546.db2.gz KDFASRWSBARBMV-AWEZNQCLSA-N -1 3 377.404 3.567 20 0 GHADHM Fc1ccc(CSc2cc3c(cc2Cl)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737648303 598645857 /nfs/dbraw/zinc/64/58/57/598645857.db2.gz IOTYKEFYRZPGPN-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM Fc1ccc(CSc2cc3c(cc2Cl)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737648303 598645858 /nfs/dbraw/zinc/64/58/58/598645858.db2.gz IOTYKEFYRZPGPN-UHFFFAOYSA-N -1 3 378.816 3.723 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737342834 598647266 /nfs/dbraw/zinc/64/72/66/598647266.db2.gz RPNNOCSNJDLFKK-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM Cc1ccc(CNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737342834 598647268 /nfs/dbraw/zinc/64/72/68/598647268.db2.gz RPNNOCSNJDLFKK-UHFFFAOYSA-N -1 3 385.427 3.897 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccccc1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503364 598651811 /nfs/dbraw/zinc/65/18/11/598651811.db2.gz VQFUMAWPQHVFBQ-JKSUJKDBSA-N -1 3 393.491 3.979 20 0 GHADHM CCN(C(=O)C[C@H](C)c1ccccc1OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503364 598651812 /nfs/dbraw/zinc/65/18/12/598651812.db2.gz VQFUMAWPQHVFBQ-JKSUJKDBSA-N -1 3 393.491 3.979 20 0 GHADHM CCC1CCC(N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000736394717 598651847 /nfs/dbraw/zinc/65/18/47/598651847.db2.gz DUVQHAYHNOZSLJ-UHFFFAOYSA-N -1 3 385.537 3.919 20 0 GHADHM CCC1CCC(N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000736394717 598651848 /nfs/dbraw/zinc/65/18/48/598651848.db2.gz DUVQHAYHNOZSLJ-UHFFFAOYSA-N -1 3 385.537 3.919 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504661 598651850 /nfs/dbraw/zinc/65/18/50/598651850.db2.gz CLKOECVPDDCMJB-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM CCN(C(=O)c1cc(F)c(F)c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504661 598651851 /nfs/dbraw/zinc/65/18/51/598651851.db2.gz CLKOECVPDDCMJB-SNVBAGLBSA-N -1 3 375.354 3.507 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737825083 598654123 /nfs/dbraw/zinc/65/41/23/598654123.db2.gz JUUXJYCQRYMLNQ-ZDUSSCGKSA-N -1 3 389.525 3.875 20 0 GHADHM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737825083 598654124 /nfs/dbraw/zinc/65/41/24/598654124.db2.gz JUUXJYCQRYMLNQ-ZDUSSCGKSA-N -1 3 389.525 3.875 20 0 GHADHM CCCn1ccc2cc(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000736503022 598657770 /nfs/dbraw/zinc/65/77/70/598657770.db2.gz SBBPIGBEVWFGNW-UHFFFAOYSA-N -1 3 392.488 3.962 20 0 GHADHM CCCn1ccc2cc(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000736503022 598657772 /nfs/dbraw/zinc/65/77/72/598657772.db2.gz SBBPIGBEVWFGNW-UHFFFAOYSA-N -1 3 392.488 3.962 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738248072 598658852 /nfs/dbraw/zinc/65/88/52/598658852.db2.gz VNTIVSCGBZFXEG-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM O=C(Oc1cccc(F)c1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738248072 598658854 /nfs/dbraw/zinc/65/88/54/598658854.db2.gz VNTIVSCGBZFXEG-UHFFFAOYSA-N -1 3 395.325 3.551 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)c(F)c2)cc1C ZINC000737288589 598660211 /nfs/dbraw/zinc/66/02/11/598660211.db2.gz POVKYLUZKCORCN-UHFFFAOYSA-N -1 3 388.406 3.937 20 0 GHADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c(F)c2)cc1C ZINC000737288589 598660212 /nfs/dbraw/zinc/66/02/12/598660212.db2.gz POVKYLUZKCORCN-UHFFFAOYSA-N -1 3 388.406 3.937 20 0 GHADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735752220 598664646 /nfs/dbraw/zinc/66/46/46/598664646.db2.gz ZBXRFKJKMSWAQZ-RTBURBONSA-N -1 3 385.512 3.747 20 0 GHADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735752220 598664648 /nfs/dbraw/zinc/66/46/48/598664648.db2.gz ZBXRFKJKMSWAQZ-RTBURBONSA-N -1 3 385.512 3.747 20 0 GHADHM CCC1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736412173 598666073 /nfs/dbraw/zinc/66/60/73/598666073.db2.gz UPZNIJCFHWBAFO-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM CCC1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736412173 598666075 /nfs/dbraw/zinc/66/60/75/598666075.db2.gz UPZNIJCFHWBAFO-UHFFFAOYSA-N -1 3 377.448 3.921 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1SC ZINC000737045329 598668477 /nfs/dbraw/zinc/66/84/77/598668477.db2.gz IIXGJCHQZQYWSG-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1SC ZINC000737045329 598668479 /nfs/dbraw/zinc/66/84/79/598668479.db2.gz IIXGJCHQZQYWSG-UHFFFAOYSA-N -1 3 375.885 3.887 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736214692 598670050 /nfs/dbraw/zinc/67/00/50/598670050.db2.gz PLYXPNILOGTOKE-KRWDZBQOSA-N -1 3 397.866 3.512 20 0 GHADHM CC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736214692 598670052 /nfs/dbraw/zinc/67/00/52/598670052.db2.gz PLYXPNILOGTOKE-KRWDZBQOSA-N -1 3 397.866 3.512 20 0 GHADHM CCCC(=O)Nc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(C(C)=O)c1 ZINC000736416906 598674097 /nfs/dbraw/zinc/67/40/97/598674097.db2.gz OUNARCIWAOQBAD-UHFFFAOYSA-N -1 3 397.410 3.526 20 0 GHADHM CCCC(=O)Nc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(C(C)=O)c1 ZINC000736416906 598674098 /nfs/dbraw/zinc/67/40/98/598674098.db2.gz OUNARCIWAOQBAD-UHFFFAOYSA-N -1 3 397.410 3.526 20 0 GHADHM C[C@H](CNC(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736189706 598696257 /nfs/dbraw/zinc/69/62/57/598696257.db2.gz QPHPGRSFJDJZLO-KGLIPLIRSA-N -1 3 399.495 3.547 20 0 GHADHM C[C@H](CNC(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736189706 598696258 /nfs/dbraw/zinc/69/62/58/598696258.db2.gz QPHPGRSFJDJZLO-KGLIPLIRSA-N -1 3 399.495 3.547 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(Cl)cc1 ZINC000737850210 598697178 /nfs/dbraw/zinc/69/71/78/598697178.db2.gz MZGMIGAYXIHCSJ-UHFFFAOYSA-N -1 3 391.859 3.921 20 0 GHADHM O=C(CCSCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(Cl)cc1 ZINC000737850210 598697180 /nfs/dbraw/zinc/69/71/80/598697180.db2.gz MZGMIGAYXIHCSJ-UHFFFAOYSA-N -1 3 391.859 3.921 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737464527 598706917 /nfs/dbraw/zinc/70/69/17/598706917.db2.gz NGHAEZSNNGLJPI-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737464527 598706918 /nfs/dbraw/zinc/70/69/18/598706918.db2.gz NGHAEZSNNGLJPI-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737810607 598712677 /nfs/dbraw/zinc/71/26/77/598712677.db2.gz YSZDRMMDJJWBQU-HNNXBMFYSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737810607 598712679 /nfs/dbraw/zinc/71/26/79/598712679.db2.gz YSZDRMMDJJWBQU-HNNXBMFYSA-N -1 3 394.328 3.785 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000738115996 598731124 /nfs/dbraw/zinc/73/11/24/598731124.db2.gz FUASDYUMVVBCRA-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000738115996 598731125 /nfs/dbraw/zinc/73/11/25/598731125.db2.gz FUASDYUMVVBCRA-UHFFFAOYSA-N -1 3 396.760 3.861 20 0 GHADHM C[C@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735986954 598739558 /nfs/dbraw/zinc/73/95/58/598739558.db2.gz URTWEMTYWXWVFG-TUQDCPSNSA-N -1 3 392.459 3.809 20 0 GHADHM C[C@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735986954 598739560 /nfs/dbraw/zinc/73/95/60/598739560.db2.gz URTWEMTYWXWVFG-TUQDCPSNSA-N -1 3 392.459 3.809 20 0 GHADHM CCn1cc(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nnn[n-]2)cn1 ZINC000736722100 598741767 /nfs/dbraw/zinc/74/17/67/598741767.db2.gz NNNXNHVGJLQGIN-FPLPWBNLSA-N -1 3 390.838 3.708 20 0 GHADHM CCn1cc(C=Cc2cc(Cl)n3c4ccccc4nc3c2-c2nn[n-]n2)cn1 ZINC000736722100 598741768 /nfs/dbraw/zinc/74/17/68/598741768.db2.gz NNNXNHVGJLQGIN-FPLPWBNLSA-N -1 3 390.838 3.708 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736664704 598745145 /nfs/dbraw/zinc/74/51/45/598745145.db2.gz CLCKVRYELMXXQB-KBPBESRZSA-N -1 3 397.504 3.623 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000736664704 598745146 /nfs/dbraw/zinc/74/51/46/598745146.db2.gz CLCKVRYELMXXQB-KBPBESRZSA-N -1 3 397.504 3.623 20 0 GHADHM CC(C)CS[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735851111 598762996 /nfs/dbraw/zinc/76/29/96/598762996.db2.gz XOXZVBULDRCCQJ-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)CS[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735851111 598762998 /nfs/dbraw/zinc/76/29/98/598762998.db2.gz XOXZVBULDRCCQJ-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737415133 598764587 /nfs/dbraw/zinc/76/45/87/598764587.db2.gz JTLVAYQGDSCGGF-JXFKEZNVSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737415133 598764588 /nfs/dbraw/zinc/76/45/88/598764588.db2.gz JTLVAYQGDSCGGF-JXFKEZNVSA-N -1 3 393.491 3.798 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737419860 598764617 /nfs/dbraw/zinc/76/46/17/598764617.db2.gz FWOKVGUQNPRESL-LPHOPBHVSA-N -1 3 393.491 3.846 20 0 GHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737419860 598764618 /nfs/dbraw/zinc/76/46/18/598764618.db2.gz FWOKVGUQNPRESL-LPHOPBHVSA-N -1 3 393.491 3.846 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)CC2 ZINC000737668462 598774172 /nfs/dbraw/zinc/77/41/72/598774172.db2.gz VLNWUSUSHAWJIW-INIZCTEOSA-N -1 3 382.349 3.932 20 0 GHADHM Fc1ccc2c(c1)[C@@H](Nc1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)CC2 ZINC000737668462 598774174 /nfs/dbraw/zinc/77/41/74/598774174.db2.gz VLNWUSUSHAWJIW-INIZCTEOSA-N -1 3 382.349 3.932 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735734815 598790779 /nfs/dbraw/zinc/79/07/79/598790779.db2.gz JRYADEUCHFLALL-LJQANCHMSA-N -1 3 381.505 3.815 20 0 GHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735734815 598790781 /nfs/dbraw/zinc/79/07/81/598790781.db2.gz JRYADEUCHFLALL-LJQANCHMSA-N -1 3 381.505 3.815 20 0 GHADHM Clc1nc2ccccc2cc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737582566 598802841 /nfs/dbraw/zinc/80/28/41/598802841.db2.gz DBUBRWLDYDWCBA-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM Clc1nc2ccccc2cc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737582566 598802843 /nfs/dbraw/zinc/80/28/43/598802843.db2.gz DBUBRWLDYDWCBA-UHFFFAOYSA-N -1 3 387.834 3.980 20 0 GHADHM CCOc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)ccc1C ZINC000736628208 598821958 /nfs/dbraw/zinc/82/19/58/598821958.db2.gz UIWVGAYSMHUNRP-UHFFFAOYSA-N -1 3 383.477 3.766 20 0 GHADHM CCOc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)ccc1C ZINC000736628208 598821960 /nfs/dbraw/zinc/82/19/60/598821960.db2.gz UIWVGAYSMHUNRP-UHFFFAOYSA-N -1 3 383.477 3.766 20 0 GHADHM Cc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822362568 599292859 /nfs/dbraw/zinc/29/28/59/599292859.db2.gz YRUBOTALVQLENL-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM Cc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822362568 599292861 /nfs/dbraw/zinc/29/28/61/599292861.db2.gz YRUBOTALVQLENL-UHFFFAOYSA-N -1 3 376.342 3.516 20 0 GHADHM CCN(C(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507590 599312545 /nfs/dbraw/zinc/31/25/45/599312545.db2.gz GUWFJRUJRSVHTA-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(C(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507590 599312547 /nfs/dbraw/zinc/31/25/47/599312547.db2.gz GUWFJRUJRSVHTA-UHFFFAOYSA-N -1 3 376.445 3.657 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736557919 599328973 /nfs/dbraw/zinc/32/89/73/599328973.db2.gz DZJSCTADMINPOK-OAHLLOKOSA-N -1 3 381.505 3.710 20 0 GHADHM CCN(Cc1ccccc1)C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557919 599328976 /nfs/dbraw/zinc/32/89/76/599328976.db2.gz DZJSCTADMINPOK-OAHLLOKOSA-N -1 3 381.505 3.710 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](Sc2ccccc2-c2nnn[n-]2)C1=O ZINC000822206100 599345329 /nfs/dbraw/zinc/34/53/29/599345329.db2.gz UPEVJWCGDWHGMK-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM Cc1cc(F)ccc1N1CCC[C@@H](Sc2ccccc2-c2nn[n-]n2)C1=O ZINC000822206100 599345331 /nfs/dbraw/zinc/34/53/31/599345331.db2.gz UPEVJWCGDWHGMK-QGZVFWFLSA-N -1 3 383.452 3.602 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(SC(F)F)cc1 ZINC000823070750 599347916 /nfs/dbraw/zinc/34/79/16/599347916.db2.gz MHQIQUAYPJAGQD-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(SC(F)F)cc1 ZINC000823070750 599347918 /nfs/dbraw/zinc/34/79/18/599347918.db2.gz MHQIQUAYPJAGQD-UHFFFAOYSA-N -1 3 393.444 3.912 20 0 GHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820555886 599350011 /nfs/dbraw/zinc/35/00/11/599350011.db2.gz QNUBPIFTAADKFT-KGLIPLIRSA-N -1 3 379.489 3.715 20 0 GHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000820555886 599350014 /nfs/dbraw/zinc/35/00/14/599350014.db2.gz QNUBPIFTAADKFT-KGLIPLIRSA-N -1 3 379.489 3.715 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1N1CCCCC1=O ZINC000821836010 599368418 /nfs/dbraw/zinc/36/84/18/599368418.db2.gz XQEUSXLQFFMAIQ-AWEZNQCLSA-N -1 3 392.463 3.565 20 0 GHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1N1CCCCC1=O ZINC000821836010 599368419 /nfs/dbraw/zinc/36/84/19/599368419.db2.gz XQEUSXLQFFMAIQ-AWEZNQCLSA-N -1 3 392.463 3.565 20 0 GHADHM CC(C)(C)OC(=O)NCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735636069 599368718 /nfs/dbraw/zinc/36/87/18/599368718.db2.gz NWOGLOTYYUTWNI-UHFFFAOYSA-N -1 3 398.492 3.546 20 0 GHADHM CC(C)(C)OC(=O)NCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735636069 599368720 /nfs/dbraw/zinc/36/87/20/599368720.db2.gz NWOGLOTYYUTWNI-UHFFFAOYSA-N -1 3 398.492 3.546 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)COc1cccc(Cl)c1C ZINC000736481744 599371957 /nfs/dbraw/zinc/37/19/57/599371957.db2.gz ZVEBQAZZQGDQBM-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)COc1cccc(Cl)c1C ZINC000736481744 599371960 /nfs/dbraw/zinc/37/19/60/599371960.db2.gz ZVEBQAZZQGDQBM-UHFFFAOYSA-N -1 3 399.882 3.646 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OCC(F)(F)F)c(C)c1 ZINC000821736870 607371867 /nfs/dbraw/zinc/37/18/67/607371867.db2.gz PIVKLSANANXGPZ-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OCC(F)(F)F)c(C)c1 ZINC000821736870 607371868 /nfs/dbraw/zinc/37/18/68/607371868.db2.gz PIVKLSANANXGPZ-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737215903 599383423 /nfs/dbraw/zinc/38/34/23/599383423.db2.gz NRPSRPPWEWKUPI-ZDUSSCGKSA-N -1 3 397.866 3.575 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736239904 599384223 /nfs/dbraw/zinc/38/42/23/599384223.db2.gz URVJIJQEVWHPBT-GJYPPUQNSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736239904 599384225 /nfs/dbraw/zinc/38/42/25/599384225.db2.gz URVJIJQEVWHPBT-GJYPPUQNSA-N -1 3 383.496 3.595 20 0 GHADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820412582 599386077 /nfs/dbraw/zinc/38/60/77/599386077.db2.gz MCFHYSOQVMKZTL-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM C[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820412582 599386080 /nfs/dbraw/zinc/38/60/80/599386080.db2.gz MCFHYSOQVMKZTL-NEPJUHHUSA-N -1 3 395.854 3.982 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CNCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000823767219 599398175 /nfs/dbraw/zinc/39/81/75/599398175.db2.gz PZDIXYAPGYVPBQ-UHFFFAOYSA-N -1 3 397.442 3.602 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(CCC(F)(F)F)cc1 ZINC000821736481 607373564 /nfs/dbraw/zinc/37/35/64/607373564.db2.gz KSLDQPPPPCVYPS-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(CCC(F)(F)F)cc1 ZINC000821736481 607373565 /nfs/dbraw/zinc/37/35/65/607373565.db2.gz KSLDQPPPPCVYPS-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736134271 599403523 /nfs/dbraw/zinc/40/35/23/599403523.db2.gz AJEWHACYSQAWEB-CYBMUJFWSA-N -1 3 399.458 3.937 20 0 GHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736134271 599403527 /nfs/dbraw/zinc/40/35/27/599403527.db2.gz AJEWHACYSQAWEB-CYBMUJFWSA-N -1 3 399.458 3.937 20 0 GHADHM c1ccc2c(c1)nc(NCc1ccnc(OC3CCCC3)c1)cc2-c1nnn[n-]1 ZINC000738433037 599408965 /nfs/dbraw/zinc/40/89/65/599408965.db2.gz NBAVVPXKASALQD-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM c1ccc2c(c1)nc(NCc1ccnc(OC3CCCC3)c1)cc2-c1nn[n-]n1 ZINC000738433037 599408969 /nfs/dbraw/zinc/40/89/69/599408969.db2.gz NBAVVPXKASALQD-UHFFFAOYSA-N -1 3 387.447 3.743 20 0 GHADHM Clc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1 ZINC000737571178 599415004 /nfs/dbraw/zinc/41/50/04/599415004.db2.gz VKYLJNNOBWOAIV-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM Clc1ccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1 ZINC000737571178 599415005 /nfs/dbraw/zinc/41/50/05/599415005.db2.gz VKYLJNNOBWOAIV-INIZCTEOSA-N -1 3 376.247 3.751 20 0 GHADHM CCCCOc1ncccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736463930 599419039 /nfs/dbraw/zinc/41/90/39/599419039.db2.gz SSILFKNUKPDGJO-UHFFFAOYSA-N -1 3 375.436 3.601 20 0 GHADHM CCCCOc1ncccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736463930 599419041 /nfs/dbraw/zinc/41/90/41/599419041.db2.gz SSILFKNUKPDGJO-UHFFFAOYSA-N -1 3 375.436 3.601 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364913 599419448 /nfs/dbraw/zinc/41/94/48/599419448.db2.gz GKJWLYCTVFVFJP-CQSZACIVSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364913 599419452 /nfs/dbraw/zinc/41/94/52/599419452.db2.gz GKJWLYCTVFVFJP-CQSZACIVSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NC(=O)NCCCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365119 599424120 /nfs/dbraw/zinc/42/41/20/599424120.db2.gz HKGOMQKHNJRNNX-ZDUSSCGKSA-N -1 3 384.871 3.513 20 0 GHADHM C[C@H](NC(=O)NCCCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365119 599424123 /nfs/dbraw/zinc/42/41/23/599424123.db2.gz HKGOMQKHNJRNNX-ZDUSSCGKSA-N -1 3 384.871 3.513 20 0 GHADHM C[C@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350729 599440964 /nfs/dbraw/zinc/44/09/64/599440964.db2.gz LIGANCLBBNWQBJ-AWEZNQCLSA-N -1 3 382.512 3.976 20 0 GHADHM C[C@H](NC(=O)NC(C1CCCC1)C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350729 599440965 /nfs/dbraw/zinc/44/09/65/599440965.db2.gz LIGANCLBBNWQBJ-AWEZNQCLSA-N -1 3 382.512 3.976 20 0 GHADHM c1cc(-c2nnn[n-]2)oc1CN[C@H](COCc1ccccc1)c1ccccc1 ZINC000823786692 599446214 /nfs/dbraw/zinc/44/62/14/599446214.db2.gz BMHQOCGJFLCLMS-LJQANCHMSA-N -1 3 375.432 3.507 20 0 GHADHM c1cc(-c2nn[n-]n2)oc1CN[C@H](COCc1ccccc1)c1ccccc1 ZINC000823786692 599446216 /nfs/dbraw/zinc/44/62/16/599446216.db2.gz BMHQOCGJFLCLMS-LJQANCHMSA-N -1 3 375.432 3.507 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736112433 599453303 /nfs/dbraw/zinc/45/33/03/599453303.db2.gz RFSGALYDPSZYLM-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736112433 599453305 /nfs/dbraw/zinc/45/33/05/599453305.db2.gz RFSGALYDPSZYLM-NSHDSACASA-N -1 3 388.834 3.562 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736236675 599462850 /nfs/dbraw/zinc/46/28/50/599462850.db2.gz STFJOAPIGCWNAA-JSGCOSHPSA-N -1 3 382.468 3.581 20 0 GHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736236675 599462853 /nfs/dbraw/zinc/46/28/53/599462853.db2.gz STFJOAPIGCWNAA-JSGCOSHPSA-N -1 3 382.468 3.581 20 0 GHADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737932507 599469985 /nfs/dbraw/zinc/46/99/85/599469985.db2.gz NDGNHJXJBXGNAQ-QGZVFWFLSA-N -1 3 397.504 3.837 20 0 GHADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000737932507 599469986 /nfs/dbraw/zinc/46/99/86/599469986.db2.gz NDGNHJXJBXGNAQ-QGZVFWFLSA-N -1 3 397.504 3.837 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821100136 599471503 /nfs/dbraw/zinc/47/15/03/599471503.db2.gz UPFKFHGIJJQKRF-HNNXBMFYSA-N -1 3 396.470 3.731 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821100136 599471505 /nfs/dbraw/zinc/47/15/05/599471505.db2.gz UPFKFHGIJJQKRF-HNNXBMFYSA-N -1 3 396.470 3.731 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820342449 599477936 /nfs/dbraw/zinc/47/79/36/599477936.db2.gz UVLMKBSEOSFTEU-GUYCJALGSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820342449 599477939 /nfs/dbraw/zinc/47/79/39/599477939.db2.gz UVLMKBSEOSFTEU-GUYCJALGSA-N -1 3 396.882 3.780 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820343067 599480274 /nfs/dbraw/zinc/48/02/74/599480274.db2.gz ZQNQSWBGYKHJFM-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM C[C@H](NC(=O)N1CCC(c2ccccc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820343067 599480275 /nfs/dbraw/zinc/48/02/75/599480275.db2.gz ZQNQSWBGYKHJFM-AWEZNQCLSA-N -1 3 394.454 3.656 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234844 599482228 /nfs/dbraw/zinc/48/22/28/599482228.db2.gz JHRGOOGSSKEGHY-JKSUJKDBSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1ccc(C[C@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234844 599482229 /nfs/dbraw/zinc/48/22/29/599482229.db2.gz JHRGOOGSSKEGHY-JKSUJKDBSA-N -1 3 378.480 3.509 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822116064 599490003 /nfs/dbraw/zinc/49/00/03/599490003.db2.gz MBNPYPLDYZWQCF-AWEZNQCLSA-N -1 3 396.470 3.701 20 0 GHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822116064 599490006 /nfs/dbraw/zinc/49/00/06/599490006.db2.gz MBNPYPLDYZWQCF-AWEZNQCLSA-N -1 3 396.470 3.701 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822431812 599497997 /nfs/dbraw/zinc/49/79/97/599497997.db2.gz KTKBZWCZINOSNS-NSHDSACASA-N -1 3 382.493 3.780 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822431812 599497998 /nfs/dbraw/zinc/49/79/98/599497998.db2.gz KTKBZWCZINOSNS-NSHDSACASA-N -1 3 382.493 3.780 20 0 GHADHM Fc1ccc(N2CC[C@@H](CNc3c(Cl)cccc3-c3nnn[n-]3)C2)cc1F ZINC000822779252 599498536 /nfs/dbraw/zinc/49/85/36/599498536.db2.gz SFWDTTPLYMFGKW-NSHDSACASA-N -1 3 390.825 3.737 20 0 GHADHM Fc1ccc(N2CC[C@@H](CNc3c(Cl)cccc3-c3nn[n-]n3)C2)cc1F ZINC000822779252 599498537 /nfs/dbraw/zinc/49/85/37/599498537.db2.gz SFWDTTPLYMFGKW-NSHDSACASA-N -1 3 390.825 3.737 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000737291086 599502429 /nfs/dbraw/zinc/50/24/29/599502429.db2.gz HRCQMIVUFDJDCL-CYBMUJFWSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000737291086 599502432 /nfs/dbraw/zinc/50/24/32/599502432.db2.gz HRCQMIVUFDJDCL-CYBMUJFWSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822229055 599513564 /nfs/dbraw/zinc/51/35/64/599513564.db2.gz LGHVSPMGJJQDSI-HOTGVXAUSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822229055 599513565 /nfs/dbraw/zinc/51/35/65/599513565.db2.gz LGHVSPMGJJQDSI-HOTGVXAUSA-N -1 3 393.491 3.943 20 0 GHADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccc(Cl)c1 ZINC000738382087 599521583 /nfs/dbraw/zinc/52/15/83/599521583.db2.gz KASDVGIRVZLNHL-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327103 599531224 /nfs/dbraw/zinc/53/12/24/599531224.db2.gz FGHPDIADQAJYCE-MRXNPFEDSA-N -1 3 399.454 3.790 20 0 GHADHM C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327103 599531227 /nfs/dbraw/zinc/53/12/27/599531227.db2.gz FGHPDIADQAJYCE-MRXNPFEDSA-N -1 3 399.454 3.790 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821850166 599532627 /nfs/dbraw/zinc/53/26/27/599532627.db2.gz XQSRNLYVRLKKIZ-WMLDXEAASA-N -1 3 391.475 3.563 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821850166 599532630 /nfs/dbraw/zinc/53/26/30/599532630.db2.gz XQSRNLYVRLKKIZ-WMLDXEAASA-N -1 3 391.475 3.563 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736057597 599539306 /nfs/dbraw/zinc/53/93/06/599539306.db2.gz HWJLLUPSEMWPSC-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736057597 599539308 /nfs/dbraw/zinc/53/93/08/599539308.db2.gz HWJLLUPSEMWPSC-NSHDSACASA-N -1 3 375.354 3.703 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCCc2sccc2C1 ZINC000822204168 599544737 /nfs/dbraw/zinc/54/47/37/599544737.db2.gz GRPLOZCNRVDMIY-UHFFFAOYSA-N -1 3 380.452 3.877 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCCc2sccc2C1 ZINC000822204168 599544738 /nfs/dbraw/zinc/54/47/38/599544738.db2.gz GRPLOZCNRVDMIY-UHFFFAOYSA-N -1 3 380.452 3.877 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820684188 599547319 /nfs/dbraw/zinc/54/73/19/599547319.db2.gz MXAPBKDGXOHGQK-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820684188 599547321 /nfs/dbraw/zinc/54/73/21/599547321.db2.gz MXAPBKDGXOHGQK-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820570440 599563109 /nfs/dbraw/zinc/56/31/09/599563109.db2.gz JVZFOTNQWSNZRF-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820570440 599563112 /nfs/dbraw/zinc/56/31/12/599563112.db2.gz JVZFOTNQWSNZRF-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nnn[n-]1)N1C[C@@H]2CCC[C@@H]21 ZINC000738286347 599574893 /nfs/dbraw/zinc/57/48/93/599574893.db2.gz NAYHFLFXVGXJBY-BBRMVZONSA-N -1 3 377.473 3.642 20 0 GHADHM O=C(c1ccccc1Sc1ccccc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@@H]21 ZINC000738286347 599574896 /nfs/dbraw/zinc/57/48/96/599574896.db2.gz NAYHFLFXVGXJBY-BBRMVZONSA-N -1 3 377.473 3.642 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2coc(-c3ccccc3)n2)n1 ZINC000822723771 599586166 /nfs/dbraw/zinc/58/61/66/599586166.db2.gz NXJGJGVWQWBWIZ-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2coc(-c3ccccc3)n2)n1 ZINC000822723771 599586168 /nfs/dbraw/zinc/58/61/68/599586168.db2.gz NXJGJGVWQWBWIZ-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM Cc1ncc(COC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000737491590 599607888 /nfs/dbraw/zinc/60/78/88/599607888.db2.gz LVJZIEBDROMJLM-UHFFFAOYSA-N -1 3 392.444 3.732 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737290113 599610862 /nfs/dbraw/zinc/61/08/62/599610862.db2.gz BPODDNQWNJIGQG-DOTOQJQBSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737290113 599610864 /nfs/dbraw/zinc/61/08/64/599610864.db2.gz BPODDNQWNJIGQG-DOTOQJQBSA-N -1 3 376.464 3.893 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737329275 599611894 /nfs/dbraw/zinc/61/18/94/599611894.db2.gz ITTWLADHUFAOKN-JXFKEZNVSA-N -1 3 390.491 3.858 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737329275 599611896 /nfs/dbraw/zinc/61/18/96/599611896.db2.gz ITTWLADHUFAOKN-JXFKEZNVSA-N -1 3 390.491 3.858 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820225186 599622352 /nfs/dbraw/zinc/62/23/52/599622352.db2.gz CRGGUKBQTRGKJT-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820225186 599622353 /nfs/dbraw/zinc/62/23/53/599622353.db2.gz CRGGUKBQTRGKJT-QWHCGFSZSA-N -1 3 382.395 3.519 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(F)(F)F ZINC000820512755 599628028 /nfs/dbraw/zinc/62/80/28/599628028.db2.gz OIFUZGIQIUNELG-JTQLQIEISA-N -1 3 378.310 3.767 20 0 GHADHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000820512755 599628029 /nfs/dbraw/zinc/62/80/29/599628029.db2.gz OIFUZGIQIUNELG-JTQLQIEISA-N -1 3 378.310 3.767 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820253873 599628368 /nfs/dbraw/zinc/62/83/68/599628368.db2.gz KKEYSICSDTTWLC-LLVKDONJSA-N -1 3 385.468 3.763 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820253873 599628369 /nfs/dbraw/zinc/62/83/69/599628369.db2.gz KKEYSICSDTTWLC-LLVKDONJSA-N -1 3 385.468 3.763 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c(-c2nnn[n-]2)c1C ZINC000822557856 599628782 /nfs/dbraw/zinc/62/87/82/599628782.db2.gz KHALBEHIERLRCG-MGPUTAFESA-N -1 3 379.489 3.778 20 0 GHADHM Cc1sc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c(-c2nn[n-]n2)c1C ZINC000822557856 599628783 /nfs/dbraw/zinc/62/87/83/599628783.db2.gz KHALBEHIERLRCG-MGPUTAFESA-N -1 3 379.489 3.778 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000822203320 599628844 /nfs/dbraw/zinc/62/88/44/599628844.db2.gz OJXIXQVCGAQRPY-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1cc(F)cc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822203320 599628845 /nfs/dbraw/zinc/62/88/45/599628845.db2.gz OJXIXQVCGAQRPY-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000822232770 599629919 /nfs/dbraw/zinc/62/99/19/599629919.db2.gz APQIWPGCDJXSRC-YJBOKZPZSA-N -1 3 397.866 3.935 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000822232770 599629920 /nfs/dbraw/zinc/62/99/20/599629920.db2.gz APQIWPGCDJXSRC-YJBOKZPZSA-N -1 3 397.866 3.935 20 0 GHADHM CCO[C@@H](C)c1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)s1 ZINC000821346221 599631060 /nfs/dbraw/zinc/63/10/60/599631060.db2.gz DULLIQYLDCABPG-QMMMGPOBSA-N -1 3 392.510 3.605 20 0 GHADHM CCO[C@@H](C)c1ncc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)s1 ZINC000821346221 599631061 /nfs/dbraw/zinc/63/10/61/599631061.db2.gz DULLIQYLDCABPG-QMMMGPOBSA-N -1 3 392.510 3.605 20 0 GHADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822288628 599632141 /nfs/dbraw/zinc/63/21/41/599632141.db2.gz DNTAGHGLAQFYCF-LLVKDONJSA-N -1 3 375.354 3.936 20 0 GHADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822288628 599632142 /nfs/dbraw/zinc/63/21/42/599632142.db2.gz DNTAGHGLAQFYCF-LLVKDONJSA-N -1 3 375.354 3.936 20 0 GHADHM O=C(C=Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822934624 599632249 /nfs/dbraw/zinc/63/22/49/599632249.db2.gz AMTHJCJLCUFKNM-YVMONPNESA-N -1 3 377.301 3.677 20 0 GHADHM O=C(C=Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822934624 599632250 /nfs/dbraw/zinc/63/22/50/599632250.db2.gz AMTHJCJLCUFKNM-YVMONPNESA-N -1 3 377.301 3.677 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccncc1Cl ZINC000823350328 599650875 /nfs/dbraw/zinc/65/08/75/599650875.db2.gz JHVLDKIRMDCTGV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccncc1Cl ZINC000823350328 599650876 /nfs/dbraw/zinc/65/08/76/599650876.db2.gz JHVLDKIRMDCTGV-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000820068289 599652586 /nfs/dbraw/zinc/65/25/86/599652586.db2.gz QCUCZWXGPQMKON-HNNXBMFYSA-N -1 3 392.463 3.562 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000820068289 599652587 /nfs/dbraw/zinc/65/25/87/599652587.db2.gz QCUCZWXGPQMKON-HNNXBMFYSA-N -1 3 392.463 3.562 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820967868 599656112 /nfs/dbraw/zinc/65/61/12/599656112.db2.gz XODHULSHZMECIL-MAUKXSAKSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820967868 599656113 /nfs/dbraw/zinc/65/61/13/599656113.db2.gz XODHULSHZMECIL-MAUKXSAKSA-N -1 3 391.475 3.706 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820902203 599661412 /nfs/dbraw/zinc/66/14/12/599661412.db2.gz IPWBPUUZWNLQDJ-GDBMZVCRSA-N -1 3 399.495 3.734 20 0 GHADHM CC[C@H](CC1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820902203 599661413 /nfs/dbraw/zinc/66/14/13/599661413.db2.gz IPWBPUUZWNLQDJ-GDBMZVCRSA-N -1 3 399.495 3.734 20 0 GHADHM CCCC[C@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821039166 599662155 /nfs/dbraw/zinc/66/21/55/599662155.db2.gz ASPWNILMFIWHMA-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCC[C@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821039166 599662156 /nfs/dbraw/zinc/66/21/56/599662156.db2.gz ASPWNILMFIWHMA-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822233548 599669180 /nfs/dbraw/zinc/66/91/80/599669180.db2.gz REKMRJQAPLVEDV-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822233548 599669181 /nfs/dbraw/zinc/66/91/81/599669181.db2.gz REKMRJQAPLVEDV-HKUYNNGSSA-N -1 3 396.422 3.525 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822432144 599670694 /nfs/dbraw/zinc/67/06/94/599670694.db2.gz YNYBAWAPKCERML-UHFFFAOYSA-N -1 3 387.440 3.785 20 0 GHADHM Cc1nc(C2CCCC2)sc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822432144 599670695 /nfs/dbraw/zinc/67/06/95/599670695.db2.gz YNYBAWAPKCERML-UHFFFAOYSA-N -1 3 387.440 3.785 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccccc1 ZINC000820921537 599675836 /nfs/dbraw/zinc/67/58/36/599675836.db2.gz ZFLOSKHXMMOPLH-DNVCBOLYSA-N -1 3 392.507 3.983 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccccc1 ZINC000820921537 599675837 /nfs/dbraw/zinc/67/58/37/599675837.db2.gz ZFLOSKHXMMOPLH-DNVCBOLYSA-N -1 3 392.507 3.983 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821608277 599678049 /nfs/dbraw/zinc/67/80/49/599678049.db2.gz ABZSEXDKEIBAEK-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821608277 599678050 /nfs/dbraw/zinc/67/80/50/599678050.db2.gz ABZSEXDKEIBAEK-LJQANCHMSA-N -1 3 376.464 3.550 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820966399 599692520 /nfs/dbraw/zinc/69/25/20/599692520.db2.gz DVVBQFZKHJPXRT-CJNGLKHVSA-N -1 3 393.451 3.706 20 0 GHADHM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820966399 599692521 /nfs/dbraw/zinc/69/25/21/599692521.db2.gz DVVBQFZKHJPXRT-CJNGLKHVSA-N -1 3 393.451 3.706 20 0 GHADHM O=C(CCSc1ccccc1F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822974332 599696232 /nfs/dbraw/zinc/69/62/32/599696232.db2.gz HOUORIASRLKHSZ-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM O=C(CCSc1ccccc1F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822974332 599696233 /nfs/dbraw/zinc/69/62/33/599696233.db2.gz HOUORIASRLKHSZ-UHFFFAOYSA-N -1 3 377.832 3.780 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000822399424 607392425 /nfs/dbraw/zinc/39/24/25/607392425.db2.gz HOEKJTBRJWVKQT-FPLPWBNLSA-N -1 3 380.477 3.552 20 0 GHADHM Cc1cncc(C=CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000822399424 607392426 /nfs/dbraw/zinc/39/24/26/607392426.db2.gz HOEKJTBRJWVKQT-FPLPWBNLSA-N -1 3 380.477 3.552 20 0 GHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000738625120 599772113 /nfs/dbraw/zinc/77/21/13/599772113.db2.gz QMPRWIAFMHUXTA-MRXNPFEDSA-N -1 3 385.464 3.628 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCc1nc2ccccc2s1 ZINC000826252288 607399796 /nfs/dbraw/zinc/39/97/96/607399796.db2.gz XWSJLUMLFXRMHK-UHFFFAOYSA-N -1 3 379.445 3.574 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCc1nc2ccccc2s1 ZINC000826252288 607399798 /nfs/dbraw/zinc/39/97/98/607399798.db2.gz XWSJLUMLFXRMHK-UHFFFAOYSA-N -1 3 379.445 3.574 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826251673 607399957 /nfs/dbraw/zinc/39/99/57/607399957.db2.gz XJDAKIPYTINASN-LJQANCHMSA-N -1 3 389.390 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826251673 607399958 /nfs/dbraw/zinc/39/99/58/607399958.db2.gz XJDAKIPYTINASN-LJQANCHMSA-N -1 3 389.390 3.656 20 0 GHADHM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000740096551 599850101 /nfs/dbraw/zinc/85/01/01/599850101.db2.gz JWMXIFMTBNUQQY-LJQANCHMSA-N -1 3 389.455 3.784 20 0 GHADHM O=C([O-])N1CCC[C@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000739484710 599860334 /nfs/dbraw/zinc/86/03/34/599860334.db2.gz ZQMCNOLTAJTVMX-SFHVURJKSA-N -1 3 387.867 3.824 20 0 GHADHM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000518386807 599866886 /nfs/dbraw/zinc/86/68/86/599866886.db2.gz QWFXKYAFIYAPHO-XMSQKQJNSA-N -1 3 394.471 3.833 20 0 GHADHM O=C(Nc1ccc(Sc2ccncc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823355896 607408177 /nfs/dbraw/zinc/40/81/77/607408177.db2.gz FMNGPKSNXWWKAL-UHFFFAOYSA-N -1 3 380.458 3.727 20 0 GHADHM O=C(Nc1ccc(Sc2ccncc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823355896 607408179 /nfs/dbraw/zinc/40/81/79/607408179.db2.gz FMNGPKSNXWWKAL-UHFFFAOYSA-N -1 3 380.458 3.727 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(C(F)(F)F)ccc1F ZINC000826254145 607408501 /nfs/dbraw/zinc/40/85/01/607408501.db2.gz WTRIKXJVRGREKG-UHFFFAOYSA-N -1 3 380.301 3.690 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C(F)(F)F)ccc1F ZINC000826254145 607408502 /nfs/dbraw/zinc/40/85/02/607408502.db2.gz WTRIKXJVRGREKG-UHFFFAOYSA-N -1 3 380.301 3.690 20 0 GHADHM Cc1ccc([C@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)N2CCCC2)cc1 ZINC000738554597 600066848 /nfs/dbraw/zinc/06/68/48/600066848.db2.gz QEXVDLSDMCRYKH-NRFANRHFSA-N -1 3 380.488 3.579 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C1CCC(c2ccccc2)CC1 ZINC000826428214 607418457 /nfs/dbraw/zinc/41/84/57/607418457.db2.gz SWGJMVGTLNKXDJ-UHFFFAOYSA-N -1 3 387.487 3.946 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1CCC(c2ccccc2)CC1 ZINC000826428214 607418458 /nfs/dbraw/zinc/41/84/58/607418458.db2.gz SWGJMVGTLNKXDJ-UHFFFAOYSA-N -1 3 387.487 3.946 20 0 GHADHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(SC(F)F)cc1 ZINC000826428296 607426578 /nfs/dbraw/zinc/42/65/78/607426578.db2.gz WQRLNNSXDGBQLH-UHFFFAOYSA-N -1 3 387.415 3.601 20 0 GHADHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(SC(F)F)cc1 ZINC000826428296 607426580 /nfs/dbraw/zinc/42/65/80/607426580.db2.gz WQRLNNSXDGBQLH-UHFFFAOYSA-N -1 3 387.415 3.601 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000826166907 607430286 /nfs/dbraw/zinc/43/02/86/607430286.db2.gz HDBDFBWLXPZUIV-GHMZBOCLSA-N -1 3 390.852 3.608 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000826166907 607430288 /nfs/dbraw/zinc/43/02/88/607430288.db2.gz HDBDFBWLXPZUIV-GHMZBOCLSA-N -1 3 390.852 3.608 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Nc3cccc(C(=O)[O-])c3C)c(C)c2)CC1 ZINC000737122995 600228570 /nfs/dbraw/zinc/22/85/70/600228570.db2.gz OLKFJAFFODJJFU-UHFFFAOYSA-N -1 3 396.491 3.788 20 0 GHADHM CCN1CCN(c2ccc(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)c(C)c2)CC1 ZINC000737122689 600233286 /nfs/dbraw/zinc/23/32/86/600233286.db2.gz MELXXEZUOQIGLD-UHFFFAOYSA-N -1 3 396.491 3.788 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1-c1nnn[n-]1 ZINC000820165966 607432508 /nfs/dbraw/zinc/43/25/08/607432508.db2.gz SYECRXYRPLKIHG-KWOWKCNFSA-N -1 3 396.495 3.696 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1-c1nn[n-]n1 ZINC000820165966 607432509 /nfs/dbraw/zinc/43/25/09/607432509.db2.gz SYECRXYRPLKIHG-KWOWKCNFSA-N -1 3 396.495 3.696 20 0 GHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000738957715 600287166 /nfs/dbraw/zinc/28/71/66/600287166.db2.gz MHZKPFBTOQXQBI-UHFFFAOYSA-N -1 3 394.830 3.929 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736724401 600341199 /nfs/dbraw/zinc/34/11/99/600341199.db2.gz LERQDQKAHUFKHC-UZLBHIALSA-N -1 3 396.491 3.753 20 0 GHADHM COc1ccc2sc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000826213992 607437544 /nfs/dbraw/zinc/43/75/44/607437544.db2.gz VXMLUBKOCNJEMZ-UHFFFAOYSA-N -1 3 379.445 3.675 20 0 GHADHM COc1ccc2sc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000826213992 607437546 /nfs/dbraw/zinc/43/75/46/607437546.db2.gz VXMLUBKOCNJEMZ-UHFFFAOYSA-N -1 3 379.445 3.675 20 0 GHADHM CN(C(=O)c1ccc(Cl)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830821 607439204 /nfs/dbraw/zinc/43/92/04/607439204.db2.gz YUQQUUTTZWSMGK-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Cl)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830821 607439206 /nfs/dbraw/zinc/43/92/06/607439206.db2.gz YUQQUUTTZWSMGK-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM O=C([O-])[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000738508535 600400269 /nfs/dbraw/zinc/40/02/69/600400269.db2.gz SCTVPMJEJHCXIZ-GOSISDBHSA-N -1 3 388.851 3.522 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OCC(F)(F)F ZINC000426771213 600423920 /nfs/dbraw/zinc/42/39/20/600423920.db2.gz ZTGXCUUWJOCPGJ-INIZCTEOSA-N -1 3 387.329 3.691 20 0 GHADHM COc1cc(OC)c(C2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c(OC)c1 ZINC000530165666 600504708 /nfs/dbraw/zinc/50/47/08/600504708.db2.gz ZVUUOPNUDCSISZ-ZDUSSCGKSA-N -1 3 389.448 3.944 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)s1 ZINC000824499694 607449706 /nfs/dbraw/zinc/44/97/06/607449706.db2.gz ROJSQIHHQLQQJX-SNVBAGLBSA-N -1 3 388.884 3.631 20 0 GHADHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)s1 ZINC000824499694 607449707 /nfs/dbraw/zinc/44/97/07/607449707.db2.gz ROJSQIHHQLQQJX-SNVBAGLBSA-N -1 3 388.884 3.631 20 0 GHADHM CCSc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737229847 600523138 /nfs/dbraw/zinc/52/31/38/600523138.db2.gz RGVHRYAVGZBQML-GJZGRUSLSA-N -1 3 386.517 3.852 20 0 GHADHM O=C([O-])Nc1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1F ZINC000740006892 600543588 /nfs/dbraw/zinc/54/35/88/600543588.db2.gz FMRRJGDNCOPZPE-MRXNPFEDSA-N -1 3 386.427 3.702 20 0 GHADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736809220 600715748 /nfs/dbraw/zinc/71/57/48/600715748.db2.gz QGJUUTSPIYHQQB-KCXAZCMYSA-N -1 3 382.888 3.701 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1N[C@H](C(=O)[O-])c1ccccc1F)O[C@@H](C)C2 ZINC000830049955 600747615 /nfs/dbraw/zinc/74/76/15/600747615.db2.gz TVKIAOBZJMFBBM-MGBNMUSJSA-N -1 3 385.435 3.819 20 0 GHADHM CN(Cc1ccco1)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000830860770 600752855 /nfs/dbraw/zinc/75/28/55/600752855.db2.gz XWMUTSPKEJGTBG-NRFANRHFSA-N -1 3 382.435 3.966 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000832918082 600762711 /nfs/dbraw/zinc/76/27/11/600762711.db2.gz SMTAQQQYDVJRSW-JKSUJKDBSA-N -1 3 392.459 3.557 20 0 GHADHM CN(C)Cc1cccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000737370439 600801902 /nfs/dbraw/zinc/80/19/02/600801902.db2.gz KQRAOVQICWGCNJ-OAQYLSRUSA-N -1 3 390.483 3.575 20 0 GHADHM O=C(Nc1ccccc1O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826457483 607470403 /nfs/dbraw/zinc/47/04/03/607470403.db2.gz DAHKBVTYENGHKH-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C(Nc1ccccc1O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826457483 607470404 /nfs/dbraw/zinc/47/04/04/607470404.db2.gz DAHKBVTYENGHKH-UHFFFAOYSA-N -1 3 389.440 3.976 20 0 GHADHM O=C([O-])c1ccc(OCCN2CC[C@@H](COCc3ccccc3)C2)c(Cl)c1 ZINC000576998062 600838671 /nfs/dbraw/zinc/83/86/71/600838671.db2.gz BMFMQEYRFVGZCA-QGZVFWFLSA-N -1 3 389.879 3.956 20 0 GHADHM CCN(C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1nc2ccccc2s1 ZINC000829596991 601204415 /nfs/dbraw/zinc/20/44/15/601204415.db2.gz GWJBMHYVWVWBNF-KUHUBIRLSA-N -1 3 397.500 3.701 20 0 GHADHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000826051055 601204610 /nfs/dbraw/zinc/20/46/10/601204610.db2.gz AACASOVMHOPPSS-PIGZYNQJSA-N -1 3 381.259 3.984 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000820496170 607498314 /nfs/dbraw/zinc/49/83/14/607498314.db2.gz LWLMYDFJCXAWGH-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000820496170 607498315 /nfs/dbraw/zinc/49/83/15/607498315.db2.gz LWLMYDFJCXAWGH-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM CCCCn1ncc(NC(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000825302175 607508293 /nfs/dbraw/zinc/50/82/93/607508293.db2.gz YASHSCVFFIJCGV-UHFFFAOYSA-N -1 3 396.499 3.616 20 0 GHADHM CCCCn1ncc(NC(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825302175 607508294 /nfs/dbraw/zinc/50/82/94/607508294.db2.gz YASHSCVFFIJCGV-UHFFFAOYSA-N -1 3 396.499 3.616 20 0 GHADHM CC[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000828939201 601651781 /nfs/dbraw/zinc/65/17/81/601651781.db2.gz AASUGJDORDOUFH-HEFCMCLBSA-N -1 3 388.895 3.959 20 0 GHADHM Cc1ccc(CN(C(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832930530 601652883 /nfs/dbraw/zinc/65/28/83/601652883.db2.gz LAGZOGWVOBNTOS-VGSWGCGISA-N -1 3 380.488 3.538 20 0 GHADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000826052635 601655216 /nfs/dbraw/zinc/65/52/16/601655216.db2.gz GZRFALFJPVPUMZ-YVEFUNNKSA-N -1 3 394.443 3.991 20 0 GHADHM COc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000826194766 607524083 /nfs/dbraw/zinc/52/40/83/607524083.db2.gz VURZSHWMUCRJPJ-KRWDZBQOSA-N -1 3 390.447 3.744 20 0 GHADHM COc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000826194766 607524085 /nfs/dbraw/zinc/52/40/85/607524085.db2.gz VURZSHWMUCRJPJ-KRWDZBQOSA-N -1 3 390.447 3.744 20 0 GHADHM O=C([O-])c1sccc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000833347783 601831906 /nfs/dbraw/zinc/83/19/06/601831906.db2.gz SZNNHHVTZDSHFT-UHFFFAOYSA-N -1 3 398.528 3.850 20 0 GHADHM CCN(CC1CCN(Cc2ccsc2C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000829692223 601837832 /nfs/dbraw/zinc/83/78/32/601837832.db2.gz CFLKEVQGDBLNBG-UHFFFAOYSA-N -1 3 382.526 3.915 20 0 GHADHM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000263050967 601916998 /nfs/dbraw/zinc/91/69/98/601916998.db2.gz FLTYMNAAVSUFQC-MRXNPFEDSA-N -1 3 381.295 3.869 20 0 GHADHM CN(C)[C@@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000830581378 601954088 /nfs/dbraw/zinc/95/40/88/601954088.db2.gz NOOWUXOKZSEAIT-INIZCTEOSA-N -1 3 395.381 3.828 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc(N3CCCC3)c2)C(=O)[O-])c1 ZINC000832051989 602176419 /nfs/dbraw/zinc/17/64/19/602176419.db2.gz YMGSCGRTRRHFOW-YCRPNKLZSA-N -1 3 384.476 3.781 20 0 GHADHM CC(C)CONC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000824270773 607558683 /nfs/dbraw/zinc/55/86/83/607558683.db2.gz GLQLUOQRQFANJV-UHFFFAOYSA-N -1 3 386.387 3.507 20 0 GHADHM CC(C)CONC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000824270773 607558684 /nfs/dbraw/zinc/55/86/84/607558684.db2.gz GLQLUOQRQFANJV-UHFFFAOYSA-N -1 3 386.387 3.507 20 0 GHADHM Cc1c(NC(=O)c2cc(Cl)cc(Br)c2)cccc1-c1nnn[n-]1 ZINC000826242354 607580071 /nfs/dbraw/zinc/58/00/71/607580071.db2.gz LMCVGPKYYZAFAC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2cc(Cl)cc(Br)c2)cccc1-c1nn[n-]n1 ZINC000826242354 607580073 /nfs/dbraw/zinc/58/00/73/607580073.db2.gz LMCVGPKYYZAFAC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825160069 607578057 /nfs/dbraw/zinc/57/80/57/607578057.db2.gz XKCKDKIAOQKVAU-QGZVFWFLSA-N -1 3 399.476 3.748 20 0 GHADHM CC[C@@H](SC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825160069 607578059 /nfs/dbraw/zinc/57/80/59/607578059.db2.gz XKCKDKIAOQKVAU-QGZVFWFLSA-N -1 3 399.476 3.748 20 0 GHADHM CC[C@H](SC)C(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000825160188 607578103 /nfs/dbraw/zinc/57/81/03/607578103.db2.gz YCMVSOPWOKMZNG-SFHVURJKSA-N -1 3 399.495 3.989 20 0 GHADHM CC[C@H](SC)C(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000825160188 607578106 /nfs/dbraw/zinc/57/81/06/607578106.db2.gz YCMVSOPWOKMZNG-SFHVURJKSA-N -1 3 399.495 3.989 20 0 GHADHM Cc1ccc(NC(=O)[C@@H](NC2CCC(NC(=O)[O-])CC2)c2ccccc2)cc1 ZINC000740132427 603088455 /nfs/dbraw/zinc/08/84/55/603088455.db2.gz AGEVALSZUDCLBK-UUKMXZOPSA-N -1 3 381.476 3.843 20 0 GHADHM Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(NC(=O)[O-])cc2Cl)o1 ZINC000740127261 603290844 /nfs/dbraw/zinc/29/08/44/603290844.db2.gz WAWHCDBTNCBLPZ-UHFFFAOYSA-N -1 3 379.844 3.535 20 0 GHADHM CCN(Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c1)C(=O)[O-] ZINC000739444686 603344745 /nfs/dbraw/zinc/34/47/45/603344745.db2.gz AIWWSZSRHDNTRG-IBGZPJMESA-N -1 3 384.480 3.611 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000826244278 607653312 /nfs/dbraw/zinc/65/33/12/607653312.db2.gz MRHHJJAQCAAILI-UHFFFAOYSA-N -1 3 375.476 3.660 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000826244278 607653313 /nfs/dbraw/zinc/65/33/13/607653313.db2.gz MRHHJJAQCAAILI-UHFFFAOYSA-N -1 3 375.476 3.660 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000826249970 607654908 /nfs/dbraw/zinc/65/49/08/607654908.db2.gz DBHXLYHUSWXUOL-UHFFFAOYSA-N -1 3 395.426 3.742 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000826249970 607654909 /nfs/dbraw/zinc/65/49/09/607654909.db2.gz DBHXLYHUSWXUOL-UHFFFAOYSA-N -1 3 395.426 3.742 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825313311 607659401 /nfs/dbraw/zinc/65/94/01/607659401.db2.gz AFPUSKOERZOLTG-SJORKVTESA-N -1 3 381.505 3.779 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000825313311 607659404 /nfs/dbraw/zinc/65/94/04/607659404.db2.gz AFPUSKOERZOLTG-SJORKVTESA-N -1 3 381.505 3.779 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367267 607669276 /nfs/dbraw/zinc/66/92/76/607669276.db2.gz MJLXARNQFPPJBD-XOKHGSTOSA-N -1 3 381.505 3.950 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367267 607669277 /nfs/dbraw/zinc/66/92/77/607669277.db2.gz MJLXARNQFPPJBD-XOKHGSTOSA-N -1 3 381.505 3.950 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000121496928 607686709 /nfs/dbraw/zinc/68/67/09/607686709.db2.gz OELMBYNRQKLHKT-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000121496928 607686711 /nfs/dbraw/zinc/68/67/11/607686711.db2.gz OELMBYNRQKLHKT-UHFFFAOYSA-N -1 3 386.415 3.553 20 0 GHADHM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000825397258 604454029 /nfs/dbraw/zinc/45/40/29/604454029.db2.gz ISJREQDXGUQAET-INIZCTEOSA-N -1 3 381.476 3.541 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000826245431 607696025 /nfs/dbraw/zinc/69/60/25/607696025.db2.gz XSTNHFNTYCLJJF-OAHLLOKOSA-N -1 3 396.520 3.775 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000826245431 607696027 /nfs/dbraw/zinc/69/60/27/607696027.db2.gz XSTNHFNTYCLJJF-OAHLLOKOSA-N -1 3 396.520 3.775 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000825621172 607705352 /nfs/dbraw/zinc/70/53/52/607705352.db2.gz ONEPFQSKAUNITP-NSHDSACASA-N -1 3 387.390 3.676 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000825621172 607705354 /nfs/dbraw/zinc/70/53/54/607705354.db2.gz ONEPFQSKAUNITP-NSHDSACASA-N -1 3 387.390 3.676 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000833679236 604647241 /nfs/dbraw/zinc/64/72/41/604647241.db2.gz WXGWWASYJHPBHH-ZFWWWQNUSA-N -1 3 380.485 3.665 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCOc1ccc2ccccc2c1 ZINC000826248323 607709356 /nfs/dbraw/zinc/70/93/56/607709356.db2.gz DMTKOPPTCZRXRR-UHFFFAOYSA-N -1 3 387.443 3.527 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCOc1ccc2ccccc2c1 ZINC000826248323 607709359 /nfs/dbraw/zinc/70/93/59/607709359.db2.gz DMTKOPPTCZRXRR-UHFFFAOYSA-N -1 3 387.443 3.527 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000826186417 607712986 /nfs/dbraw/zinc/71/29/86/607712986.db2.gz RISBKOXUQXCHFI-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000826186417 607712988 /nfs/dbraw/zinc/71/29/88/607712988.db2.gz RISBKOXUQXCHFI-UHFFFAOYSA-N -1 3 391.353 3.623 20 0 GHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000830370087 604801386 /nfs/dbraw/zinc/80/13/86/604801386.db2.gz YQLQLDGSPHTXDQ-HNNXBMFYSA-N -1 3 388.464 3.634 20 0 GHADHM C[C@H](OC[C@@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000584726010 604848799 /nfs/dbraw/zinc/84/87/99/604848799.db2.gz WAUWSBANUHFOSV-XOBRGWDASA-N -1 3 389.879 3.535 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000833416803 604943029 /nfs/dbraw/zinc/94/30/29/604943029.db2.gz FGTWEOSGAFMFLD-WMLDXEAASA-N -1 3 378.900 3.658 20 0 GHADHM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455064 607724594 /nfs/dbraw/zinc/72/45/94/607724594.db2.gz XLYWOGVIDWOGOF-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455064 607724596 /nfs/dbraw/zinc/72/45/96/607724596.db2.gz XLYWOGVIDWOGOF-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833408633 604949553 /nfs/dbraw/zinc/94/95/53/604949553.db2.gz HJBFCBLMIFXOFM-JSGCOSHPSA-N -1 3 386.414 3.855 20 0 GHADHM CC(C)Cc1ccc([C@@H](N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000833491980 605011803 /nfs/dbraw/zinc/01/18/03/605011803.db2.gz DANCXSVTLSZQFY-HRAATJIYSA-N -1 3 386.536 3.638 20 0 GHADHM O=C([O-])C1(CN[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CCOCC1 ZINC000833785823 605071338 /nfs/dbraw/zinc/07/13/38/605071338.db2.gz ZYZAQKYMSYTDLS-HXUWFJFHSA-N -1 3 392.455 3.563 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(C4CCOCC4)CC3)c2c1 ZINC000826352986 607739046 /nfs/dbraw/zinc/73/90/46/607739046.db2.gz WSORQRUOYGFBRV-UHFFFAOYSA-N -1 3 398.898 3.711 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(C4CCOCC4)CC3)c2c1 ZINC000826352986 607739047 /nfs/dbraw/zinc/73/90/47/607739047.db2.gz WSORQRUOYGFBRV-UHFFFAOYSA-N -1 3 398.898 3.711 20 0 GHADHM FC(F)(F)c1cc(N2CCC(C3CCOCC3)CC2)ccc1-c1nnn[n-]1 ZINC000826368427 607739227 /nfs/dbraw/zinc/73/92/27/607739227.db2.gz PBVARUZSQUNGQD-UHFFFAOYSA-N -1 3 381.402 3.529 20 0 GHADHM FC(F)(F)c1cc(N2CCC(C3CCOCC3)CC2)ccc1-c1nn[n-]n1 ZINC000826368427 607739228 /nfs/dbraw/zinc/73/92/28/607739228.db2.gz PBVARUZSQUNGQD-UHFFFAOYSA-N -1 3 381.402 3.529 20 0 GHADHM O=C(Nc1cccc(CSCc2ccccc2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456624 607739972 /nfs/dbraw/zinc/73/99/72/607739972.db2.gz OXPWSNJICXOXLI-UHFFFAOYSA-N -1 3 390.472 3.881 20 0 GHADHM O=C(Nc1cccc(CSCc2ccccc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456624 607739973 /nfs/dbraw/zinc/73/99/73/607739973.db2.gz OXPWSNJICXOXLI-UHFFFAOYSA-N -1 3 390.472 3.881 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826433534 607762349 /nfs/dbraw/zinc/76/23/49/607762349.db2.gz JLVAAZBJOAZSRR-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM O=C(NCC1(C2CC2)CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826433534 607762350 /nfs/dbraw/zinc/76/23/50/607762350.db2.gz JLVAAZBJOAZSRR-UHFFFAOYSA-N -1 3 390.447 3.971 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822230330 606032231 /nfs/dbraw/zinc/03/22/31/606032231.db2.gz CUSHFRAGYJBDEN-LLVKDONJSA-N -1 3 391.353 3.600 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCc2nc3ccccc3s2)n1 ZINC000822724048 606037882 /nfs/dbraw/zinc/03/78/82/606037882.db2.gz XETCKPPZSPXRJM-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCc2nc3ccccc3s2)n1 ZINC000822724048 606037887 /nfs/dbraw/zinc/03/78/87/606037887.db2.gz XETCKPPZSPXRJM-UHFFFAOYSA-N -1 3 391.382 3.545 20 0 GHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820456081 606041077 /nfs/dbraw/zinc/04/10/77/606041077.db2.gz PPOOSJGPRXMDJI-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000820456081 606041081 /nfs/dbraw/zinc/04/10/81/606041081.db2.gz PPOOSJGPRXMDJI-CQSZACIVSA-N -1 3 385.431 3.687 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000821009647 606046407 /nfs/dbraw/zinc/04/64/07/606046407.db2.gz XSBSOHHANZBWSF-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM CCCC(=O)Nc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000821009647 606046412 /nfs/dbraw/zinc/04/64/12/606046412.db2.gz XSBSOHHANZBWSF-UHFFFAOYSA-N -1 3 387.447 3.766 20 0 GHADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774359 606091816 /nfs/dbraw/zinc/09/18/16/606091816.db2.gz BHNGXUWGTBOPTF-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774359 606091820 /nfs/dbraw/zinc/09/18/20/606091820.db2.gz BHNGXUWGTBOPTF-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000822217785 606116171 /nfs/dbraw/zinc/11/61/71/606116171.db2.gz NMFUEPOMWSXQTO-FZKQIMNGSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000822217785 606116172 /nfs/dbraw/zinc/11/61/72/606116172.db2.gz NMFUEPOMWSXQTO-FZKQIMNGSA-N -1 3 380.427 3.929 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823493233 606120983 /nfs/dbraw/zinc/12/09/83/606120983.db2.gz JBMPJYXXJIUIRN-ROUUACIJSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823493233 606120984 /nfs/dbraw/zinc/12/09/84/606120984.db2.gz JBMPJYXXJIUIRN-ROUUACIJSA-N -1 3 389.459 3.921 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823367297 606122321 /nfs/dbraw/zinc/12/23/21/606122321.db2.gz IHPDFYXUDVJPIY-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823367297 606122322 /nfs/dbraw/zinc/12/23/22/606122322.db2.gz IHPDFYXUDVJPIY-UHFFFAOYSA-N -1 3 390.447 3.638 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820356958 606197880 /nfs/dbraw/zinc/19/78/80/606197880.db2.gz DGNRUUZHXWJVRO-WTOJCKNJSA-N -1 3 394.454 3.690 20 0 GHADHM C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820356958 606197881 /nfs/dbraw/zinc/19/78/81/606197881.db2.gz DGNRUUZHXWJVRO-WTOJCKNJSA-N -1 3 394.454 3.690 20 0 GHADHM CCc1ccc(C(C)(C)CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821476870 606198522 /nfs/dbraw/zinc/19/85/22/606198522.db2.gz SARPOEIVCIJTJH-UHFFFAOYSA-N -1 3 392.507 3.548 20 0 GHADHM CCc1ccc(C(C)(C)CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821476870 606198523 /nfs/dbraw/zinc/19/85/23/606198523.db2.gz SARPOEIVCIJTJH-UHFFFAOYSA-N -1 3 392.507 3.548 20 0 GHADHM Cc1ccccc1Cc1noc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822362445 606204319 /nfs/dbraw/zinc/20/43/19/606204319.db2.gz TYUGHRXVJKDDRE-UHFFFAOYSA-N -1 3 382.424 3.580 20 0 GHADHM Cc1ccccc1Cc1noc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822362445 606204321 /nfs/dbraw/zinc/20/43/21/606204321.db2.gz TYUGHRXVJKDDRE-UHFFFAOYSA-N -1 3 382.424 3.580 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000822941021 606206556 /nfs/dbraw/zinc/20/65/56/606206556.db2.gz NGGIURSAFBEOIT-OAHLLOKOSA-N -1 3 395.488 3.586 20 0 GHADHM O=C(C[C@H]1CCCCCN1C(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000822941021 606206558 /nfs/dbraw/zinc/20/65/58/606206558.db2.gz NGGIURSAFBEOIT-OAHLLOKOSA-N -1 3 395.488 3.586 20 0 GHADHM Cc1nc2[nH]ccc2c(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000822453969 606222405 /nfs/dbraw/zinc/22/24/05/606222405.db2.gz QKMVESTZZLAEIN-UHFFFAOYSA-N -1 3 388.460 3.787 20 0 GHADHM Cc1nc2[nH]ccc2c(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000822453969 606222408 /nfs/dbraw/zinc/22/24/08/606222408.db2.gz QKMVESTZZLAEIN-UHFFFAOYSA-N -1 3 388.460 3.787 20 0 GHADHM O=C(OCC[C@H]1CCCC1=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823401307 606228245 /nfs/dbraw/zinc/22/82/45/606228245.db2.gz SHLMEFBBQPJOKK-CQSZACIVSA-N -1 3 392.415 3.575 20 0 GHADHM O=C(OCC[C@H]1CCCC1=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823401307 606228246 /nfs/dbraw/zinc/22/82/46/606228246.db2.gz SHLMEFBBQPJOKK-CQSZACIVSA-N -1 3 392.415 3.575 20 0 GHADHM O=C1OC(c2ccc(Cl)c(Cl)c2)=NC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823548246 606244269 /nfs/dbraw/zinc/24/42/69/606244269.db2.gz UWPQWQBHEQQRTR-XGICHPGQSA-N -1 3 392.227 3.580 20 0 GHADHM O=C1OC(c2ccc(Cl)c(Cl)c2)=NC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823548246 606244271 /nfs/dbraw/zinc/24/42/71/606244271.db2.gz UWPQWQBHEQQRTR-XGICHPGQSA-N -1 3 392.227 3.580 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820643538 606249344 /nfs/dbraw/zinc/24/93/44/606249344.db2.gz WXRXBJSTBQHFNV-YOEHRIQHSA-N -1 3 393.495 3.833 20 0 GHADHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820643538 606249345 /nfs/dbraw/zinc/24/93/45/606249345.db2.gz WXRXBJSTBQHFNV-YOEHRIQHSA-N -1 3 393.495 3.833 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822423693 606266868 /nfs/dbraw/zinc/26/68/68/606266868.db2.gz MQWVSMVJFXOJKP-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822423693 606266869 /nfs/dbraw/zinc/26/68/69/606266869.db2.gz MQWVSMVJFXOJKP-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822935454 606268691 /nfs/dbraw/zinc/26/86/91/606268691.db2.gz LLRWKABUPDXSPL-ZDUSSCGKSA-N -1 3 379.317 3.681 20 0 GHADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822935454 606268693 /nfs/dbraw/zinc/26/86/93/606268693.db2.gz LLRWKABUPDXSPL-ZDUSSCGKSA-N -1 3 379.317 3.681 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820557264 606272339 /nfs/dbraw/zinc/27/23/39/606272339.db2.gz XRLZIAHGNXGQIB-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820557264 606272340 /nfs/dbraw/zinc/27/23/40/606272340.db2.gz XRLZIAHGNXGQIB-VIFPVBQESA-N -1 3 377.832 3.779 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000821119355 606283301 /nfs/dbraw/zinc/28/33/01/606283301.db2.gz XTNUXVBOMXMPII-ZFWWWQNUSA-N -1 3 398.417 3.709 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nnn[n-]3)cs2)nc2ccc(Cl)cc12 ZINC000823657849 606305278 /nfs/dbraw/zinc/30/52/78/606305278.db2.gz VYSOWJBOOWSCJJ-VZUCSPMQSA-N -1 3 391.243 3.555 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nn[n-]n3)cs2)nc2ccc(Cl)cc12 ZINC000823657849 606305280 /nfs/dbraw/zinc/30/52/80/606305280.db2.gz VYSOWJBOOWSCJJ-VZUCSPMQSA-N -1 3 391.243 3.555 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000820152278 606315973 /nfs/dbraw/zinc/31/59/73/606315973.db2.gz WJKMXQAIVBVPPH-UHFFFAOYSA-N -1 3 395.394 3.720 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000820152278 606315974 /nfs/dbraw/zinc/31/59/74/606315974.db2.gz WJKMXQAIVBVPPH-UHFFFAOYSA-N -1 3 395.394 3.720 20 0 GHADHM O=C(NCc1ccco1)c1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823262016 606326042 /nfs/dbraw/zinc/32/60/42/606326042.db2.gz ZWXCLHUERRWMLM-UHFFFAOYSA-N -1 3 391.456 3.682 20 0 GHADHM O=C(NCc1ccco1)c1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823262016 606326044 /nfs/dbraw/zinc/32/60/44/606326044.db2.gz ZWXCLHUERRWMLM-UHFFFAOYSA-N -1 3 391.456 3.682 20 0 GHADHM CCN(c1ccc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000821230876 606327426 /nfs/dbraw/zinc/32/74/26/606327426.db2.gz TUUIWLVUVJIRJE-UHFFFAOYSA-N -1 3 396.520 3.832 20 0 GHADHM CCN(c1ccc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000821230876 606327428 /nfs/dbraw/zinc/32/74/28/606327428.db2.gz TUUIWLVUVJIRJE-UHFFFAOYSA-N -1 3 396.520 3.832 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)o1 ZINC000822427215 606336090 /nfs/dbraw/zinc/33/60/90/606336090.db2.gz FLYMNBKOASQGFM-UHFFFAOYSA-N -1 3 392.444 3.551 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)o1 ZINC000822427215 606336091 /nfs/dbraw/zinc/33/60/91/606336091.db2.gz FLYMNBKOASQGFM-UHFFFAOYSA-N -1 3 392.444 3.551 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2c(n1)onc2C(C)C ZINC000822184294 606339954 /nfs/dbraw/zinc/33/99/54/606339954.db2.gz RPAJDFLATNYXCC-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2c(n1)onc2C(C)C ZINC000822184294 606339956 /nfs/dbraw/zinc/33/99/56/606339956.db2.gz RPAJDFLATNYXCC-GFCCVEGCSA-N -1 3 392.419 3.753 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821695278 606341935 /nfs/dbraw/zinc/34/19/35/606341935.db2.gz QHBCNLPLQKXSJQ-LBPRGKRZSA-N -1 3 378.388 3.677 20 0 GHADHM COCc1c2ccccc2oc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821695278 606341938 /nfs/dbraw/zinc/34/19/38/606341938.db2.gz QHBCNLPLQKXSJQ-LBPRGKRZSA-N -1 3 378.388 3.677 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495264 606343979 /nfs/dbraw/zinc/34/39/79/606343979.db2.gz GDHYVBHYXAWYTB-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495264 606343981 /nfs/dbraw/zinc/34/39/81/606343981.db2.gz GDHYVBHYXAWYTB-LLVKDONJSA-N -1 3 376.338 3.732 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820520103 606344849 /nfs/dbraw/zinc/34/48/49/606344849.db2.gz YSKDJLRLHVJNHG-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@H](OC(=O)c1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820520103 606344851 /nfs/dbraw/zinc/34/48/51/606344851.db2.gz YSKDJLRLHVJNHG-LBPRGKRZSA-N -1 3 377.429 3.908 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497395 606356039 /nfs/dbraw/zinc/35/60/39/606356039.db2.gz QXVZWYWPSJTCMF-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497395 606356040 /nfs/dbraw/zinc/35/60/40/606356040.db2.gz QXVZWYWPSJTCMF-LLVKDONJSA-N -1 3 381.823 3.848 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820390885 606362403 /nfs/dbraw/zinc/36/24/03/606362403.db2.gz MCMDTZMYMWCBKS-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820390885 606362405 /nfs/dbraw/zinc/36/24/05/606362405.db2.gz MCMDTZMYMWCBKS-SECBINFHSA-N -1 3 393.781 3.613 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230375 606398887 /nfs/dbraw/zinc/39/88/87/606398887.db2.gz DXLZNDZAPOOXTN-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822230375 606398889 /nfs/dbraw/zinc/39/88/89/606398889.db2.gz DXLZNDZAPOOXTN-HNNXBMFYSA-N -1 3 378.432 3.751 20 0 GHADHM CN(C(=O)Cc1c(F)cccc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570952 606414630 /nfs/dbraw/zinc/41/46/30/606414630.db2.gz SIZDILJCJDYZKI-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)Cc1c(F)cccc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570952 606414632 /nfs/dbraw/zinc/41/46/32/606414632.db2.gz SIZDILJCJDYZKI-UHFFFAOYSA-N -1 3 380.210 3.518 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573185 606414883 /nfs/dbraw/zinc/41/48/83/606414883.db2.gz DUYQAKYGTCYQIS-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM CN(C(=O)c1ccc(Br)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573185 606414886 /nfs/dbraw/zinc/41/48/86/606414886.db2.gz DUYQAKYGTCYQIS-UHFFFAOYSA-N -1 3 392.644 3.559 20 0 GHADHM C[C@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000820708986 606438045 /nfs/dbraw/zinc/43/80/45/606438045.db2.gz BCTFYGAAGMAJIL-LBPRGKRZSA-N -1 3 383.839 3.937 20 0 GHADHM C[C@@H]1c2ccsc2CCN1c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000820825818 606442784 /nfs/dbraw/zinc/44/27/84/606442784.db2.gz FASXGQAKCCMKSM-SECBINFHSA-N -1 3 384.415 3.878 20 0 GHADHM C[C@@H]1c2ccsc2CCN1c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000820825818 606442785 /nfs/dbraw/zinc/44/27/85/606442785.db2.gz FASXGQAKCCMKSM-SECBINFHSA-N -1 3 384.415 3.878 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000823299252 606449279 /nfs/dbraw/zinc/44/92/79/606449279.db2.gz OJVXMUDIPYSWRD-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(Nc1cc(Cl)ccc1NCc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823299252 606449280 /nfs/dbraw/zinc/44/92/80/606449280.db2.gz OJVXMUDIPYSWRD-UHFFFAOYSA-N -1 3 394.822 3.978 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823065955 606450017 /nfs/dbraw/zinc/45/00/17/606450017.db2.gz GJXUTXWEANHMKW-UHFFFAOYSA-N -1 3 397.479 3.504 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823065955 606450019 /nfs/dbraw/zinc/45/00/19/606450019.db2.gz GJXUTXWEANHMKW-UHFFFAOYSA-N -1 3 397.479 3.504 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4cc(-c5nnn[n-]5)c5ccccc5n4)C3)nc2c1 ZINC000823802723 606453073 /nfs/dbraw/zinc/45/30/73/606453073.db2.gz ZOXGDBBWJMHYIF-CQSZACIVSA-N -1 3 397.442 3.940 20 0 GHADHM c1ccc2oc([C@@H]3CCCN(c4cc(-c5nn[n-]n5)c5ccccc5n4)C3)nc2c1 ZINC000823802723 606453074 /nfs/dbraw/zinc/45/30/74/606453074.db2.gz ZOXGDBBWJMHYIF-CQSZACIVSA-N -1 3 397.442 3.940 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000822732901 606485751 /nfs/dbraw/zinc/48/57/51/606485751.db2.gz NZZGMIXZOURYEM-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000822732901 606485753 /nfs/dbraw/zinc/48/57/53/606485753.db2.gz NZZGMIXZOURYEM-AWEZNQCLSA-N -1 3 399.323 3.861 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cs1 ZINC000822419951 606489595 /nfs/dbraw/zinc/48/95/95/606489595.db2.gz XSTYSXUIRSKHPI-JTQLQIEISA-N -1 3 396.501 3.851 20 0 GHADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cs1 ZINC000822419951 606489596 /nfs/dbraw/zinc/48/95/96/606489596.db2.gz XSTYSXUIRSKHPI-JTQLQIEISA-N -1 3 396.501 3.851 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)c(C)c1 ZINC000822214279 606493921 /nfs/dbraw/zinc/49/39/21/606493921.db2.gz XQACNXNPGAGYPI-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)c(C)c1 ZINC000822214279 606493922 /nfs/dbraw/zinc/49/39/22/606493922.db2.gz XQACNXNPGAGYPI-UHFFFAOYSA-N -1 3 390.472 3.788 20 0 GHADHM O=C(NCc1ccc(OC2CCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823254603 606501619 /nfs/dbraw/zinc/50/16/19/606501619.db2.gz ZBJXVFYUJGWTGF-UHFFFAOYSA-N -1 3 383.477 3.570 20 0 GHADHM O=C(NCc1ccc(OC2CCCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823254603 606501621 /nfs/dbraw/zinc/50/16/21/606501621.db2.gz ZBJXVFYUJGWTGF-UHFFFAOYSA-N -1 3 383.477 3.570 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821717776 606503214 /nfs/dbraw/zinc/50/32/14/606503214.db2.gz YDZDMJLNUWWGPR-SECBINFHSA-N -1 3 392.246 3.673 20 0 GHADHM COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821717776 606503215 /nfs/dbraw/zinc/50/32/15/606503215.db2.gz YDZDMJLNUWWGPR-SECBINFHSA-N -1 3 392.246 3.673 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000823092963 606515408 /nfs/dbraw/zinc/51/54/08/606515408.db2.gz PVZIKIIBAOUYHC-JOCHJYFZSA-N -1 3 397.482 3.900 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000823092963 606515410 /nfs/dbraw/zinc/51/54/10/606515410.db2.gz PVZIKIIBAOUYHC-JOCHJYFZSA-N -1 3 397.482 3.900 20 0 GHADHM CCc1ccc(CC)c(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821482683 606522563 /nfs/dbraw/zinc/52/25/63/606522563.db2.gz UVZJSKXBSRKXPG-HXUWFJFHSA-N -1 3 390.491 3.599 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823466653 606525042 /nfs/dbraw/zinc/52/50/42/606525042.db2.gz NMMMKTQJBCGLEJ-UHFFFAOYSA-N -1 3 387.468 3.742 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000823466653 606525044 /nfs/dbraw/zinc/52/50/44/606525044.db2.gz NMMMKTQJBCGLEJ-UHFFFAOYSA-N -1 3 387.468 3.742 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000823087067 606540282 /nfs/dbraw/zinc/54/02/82/606540282.db2.gz FDXHIZCYQRJBFV-UHFFFAOYSA-N -1 3 397.482 3.969 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000823087067 606540284 /nfs/dbraw/zinc/54/02/84/606540284.db2.gz FDXHIZCYQRJBFV-UHFFFAOYSA-N -1 3 397.482 3.969 20 0 GHADHM CC1CC(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)C1 ZINC000820655802 606547434 /nfs/dbraw/zinc/54/74/34/606547434.db2.gz CGEWRSMGLCYMDB-UHFFFAOYSA-N -1 3 383.839 3.841 20 0 GHADHM O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440294 606568375 /nfs/dbraw/zinc/56/83/75/606568375.db2.gz LVGFSWDNIJAGGV-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440294 606568376 /nfs/dbraw/zinc/56/83/76/606568376.db2.gz LVGFSWDNIJAGGV-UHFFFAOYSA-N -1 3 387.808 3.594 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H]1C ZINC000820743039 606574236 /nfs/dbraw/zinc/57/42/36/606574236.db2.gz PRAQLHXMROQARG-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C[C@H]1C ZINC000820743039 606574237 /nfs/dbraw/zinc/57/42/37/606574237.db2.gz PRAQLHXMROQARG-OKILXGFUSA-N -1 3 378.436 3.779 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823249660 606587542 /nfs/dbraw/zinc/58/75/42/606587542.db2.gz FPHAYEXILDHUED-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823249660 606587543 /nfs/dbraw/zinc/58/75/43/606587543.db2.gz FPHAYEXILDHUED-GOSISDBHSA-N -1 3 398.417 3.582 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CNc1cccc(Br)c1 ZINC000822733162 606597019 /nfs/dbraw/zinc/59/70/19/606597019.db2.gz RFHBDHMWZWCNLX-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CNc1cccc(Br)c1 ZINC000822733162 606597020 /nfs/dbraw/zinc/59/70/20/606597020.db2.gz RFHBDHMWZWCNLX-UHFFFAOYSA-N -1 3 396.195 3.843 20 0 GHADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCc1ccoc1 ZINC000822211597 606602692 /nfs/dbraw/zinc/60/26/92/606602692.db2.gz GWSJBWCZWJYSOF-UHFFFAOYSA-N -1 3 390.403 3.527 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821858840 606602948 /nfs/dbraw/zinc/60/29/48/606602948.db2.gz HEWXLGXOTRKOMF-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821858840 606602950 /nfs/dbraw/zinc/60/29/50/606602950.db2.gz HEWXLGXOTRKOMF-AWEZNQCLSA-N -1 3 395.463 3.795 20 0 GHADHM COc1ccc(CNc2ccc(CCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000821821309 606611343 /nfs/dbraw/zinc/61/13/43/606611343.db2.gz FACIOKHTIIBQJE-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM COc1ccc(CNc2ccc(CCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821821309 606611344 /nfs/dbraw/zinc/61/13/44/606611344.db2.gz FACIOKHTIIBQJE-UHFFFAOYSA-N -1 3 377.370 3.982 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000820087332 606612130 /nfs/dbraw/zinc/61/21/30/606612130.db2.gz PVCFVPJGQKKVQM-UHFFFAOYSA-N -1 3 385.859 3.605 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000820087332 606612132 /nfs/dbraw/zinc/61/21/32/606612132.db2.gz PVCFVPJGQKKVQM-UHFFFAOYSA-N -1 3 385.859 3.605 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823791808 606620907 /nfs/dbraw/zinc/62/09/07/606620907.db2.gz ISJDSNASRKUIMV-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM c1ccc(Oc2ncccc2-c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823791808 606620910 /nfs/dbraw/zinc/62/09/10/606620910.db2.gz ISJDSNASRKUIMV-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821756663 606622304 /nfs/dbraw/zinc/62/23/04/606622304.db2.gz QLKWCJJCJNFVRL-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000821756663 606622305 /nfs/dbraw/zinc/62/23/05/606622305.db2.gz QLKWCJJCJNFVRL-UHFFFAOYSA-N -1 3 385.855 3.736 20 0 GHADHM COc1ccc([C@H](C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000821778190 606626490 /nfs/dbraw/zinc/62/64/90/606626490.db2.gz WQQANARSUSVVFP-OAHLLOKOSA-N -1 3 391.475 3.560 20 0 GHADHM COc1ccc([C@H](C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000821778190 606626492 /nfs/dbraw/zinc/62/64/92/606626492.db2.gz WQQANARSUSVVFP-OAHLLOKOSA-N -1 3 391.475 3.560 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cn1 ZINC000820556077 606628649 /nfs/dbraw/zinc/62/86/49/606628649.db2.gz RIFMYWCHCCIWHV-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cn1 ZINC000820556077 606628651 /nfs/dbraw/zinc/62/86/51/606628651.db2.gz RIFMYWCHCCIWHV-QMMMGPOBSA-N -1 3 395.275 3.688 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CCc1ccccc1)C1CCCC1 ZINC000823453969 606671500 /nfs/dbraw/zinc/67/15/00/606671500.db2.gz HDUUVJNEOGENGM-UHFFFAOYSA-N -1 3 397.429 3.772 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CCc1ccccc1)C1CCCC1 ZINC000823453969 606671501 /nfs/dbraw/zinc/67/15/01/606671501.db2.gz HDUUVJNEOGENGM-UHFFFAOYSA-N -1 3 397.429 3.772 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822941497 606672976 /nfs/dbraw/zinc/67/29/76/606672976.db2.gz XQFJLRRYCYUJKM-INIZCTEOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(C[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822941497 606672977 /nfs/dbraw/zinc/67/29/77/606672977.db2.gz XQFJLRRYCYUJKM-INIZCTEOSA-N -1 3 379.420 3.557 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139294 606677792 /nfs/dbraw/zinc/67/77/92/606677792.db2.gz CCRYNXMRLINRKS-QGZVFWFLSA-N -1 3 387.365 3.555 20 0 GHADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139294 606677793 /nfs/dbraw/zinc/67/77/93/606677793.db2.gz CCRYNXMRLINRKS-QGZVFWFLSA-N -1 3 387.365 3.555 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)(C)c1ccccc1 ZINC000820919291 606681401 /nfs/dbraw/zinc/68/14/01/606681401.db2.gz AXJAAWNHVBJGDI-MRXNPFEDSA-N -1 3 385.418 3.631 20 0 GHADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)c1ccccc1 ZINC000820919291 606681402 /nfs/dbraw/zinc/68/14/02/606681402.db2.gz AXJAAWNHVBJGDI-MRXNPFEDSA-N -1 3 385.418 3.631 20 0 GHADHM CSc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821984385 606685047 /nfs/dbraw/zinc/68/50/47/606685047.db2.gz PJXYSYRDJGJSKA-UHFFFAOYSA-N -1 3 381.795 3.773 20 0 GHADHM CSc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821984385 606685048 /nfs/dbraw/zinc/68/50/48/606685048.db2.gz PJXYSYRDJGJSKA-UHFFFAOYSA-N -1 3 381.795 3.773 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823454752 606686242 /nfs/dbraw/zinc/68/62/42/606686242.db2.gz SRHVVOIJBRDCPR-INIZCTEOSA-N -1 3 387.365 3.651 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823454752 606686243 /nfs/dbraw/zinc/68/62/43/606686243.db2.gz SRHVVOIJBRDCPR-INIZCTEOSA-N -1 3 387.365 3.651 20 0 GHADHM Cc1csc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822414619 606708229 /nfs/dbraw/zinc/70/82/29/606708229.db2.gz NMHPOHXSOPIHHF-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1csc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822414619 606708230 /nfs/dbraw/zinc/70/82/30/606708230.db2.gz NMHPOHXSOPIHHF-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM CCN(Cc1noc(-c2ccccc2C)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230325 606747426 /nfs/dbraw/zinc/74/74/26/606747426.db2.gz GZLDJFVUIJTNNC-OAHLLOKOSA-N -1 3 389.463 3.808 20 0 GHADHM CCN(Cc1noc(-c2ccccc2C)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230325 606747427 /nfs/dbraw/zinc/74/74/27/606747427.db2.gz GZLDJFVUIJTNNC-OAHLLOKOSA-N -1 3 389.463 3.808 20 0 GHADHM CCCCC[C@H](C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000821044169 606760100 /nfs/dbraw/zinc/76/01/00/606760100.db2.gz XRBYXLXLIJYYEO-INIZCTEOSA-N -1 3 398.467 3.812 20 0 GHADHM CCCCC[C@H](C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(C)C ZINC000821044169 606760101 /nfs/dbraw/zinc/76/01/01/606760101.db2.gz XRBYXLXLIJYYEO-INIZCTEOSA-N -1 3 398.467 3.812 20 0 GHADHM CCOc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821426239 606804636 /nfs/dbraw/zinc/80/46/36/606804636.db2.gz AQKSQCKLBKVQJU-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CCOc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821426239 606804638 /nfs/dbraw/zinc/80/46/38/606804638.db2.gz AQKSQCKLBKVQJU-UHFFFAOYSA-N -1 3 389.868 3.650 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)n1 ZINC000820192718 606808821 /nfs/dbraw/zinc/80/88/21/606808821.db2.gz WLCCKFSIWLKUKE-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1cccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)n1 ZINC000820192718 606808822 /nfs/dbraw/zinc/80/88/22/606808822.db2.gz WLCCKFSIWLKUKE-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)-c2ccccc2CC3)O1 ZINC000820972049 606847841 /nfs/dbraw/zinc/84/78/41/606847841.db2.gz JXAXCZOVSJUBKB-OCCSQVGLSA-N -1 3 395.488 3.590 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)O1 ZINC000820972049 606847843 /nfs/dbraw/zinc/84/78/43/606847843.db2.gz JXAXCZOVSJUBKB-OCCSQVGLSA-N -1 3 395.488 3.590 20 0 GHADHM Cc1cnc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)o1 ZINC000822395059 606850136 /nfs/dbraw/zinc/85/01/36/606850136.db2.gz QJFDABBSXCLLAB-UHFFFAOYSA-N -1 3 376.376 3.516 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823066240 606852368 /nfs/dbraw/zinc/85/23/68/606852368.db2.gz RKTJJQZIUDQNMN-SWLSCSKDSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]2CCCC[C@H]21 ZINC000823066240 606852369 /nfs/dbraw/zinc/85/23/69/606852369.db2.gz RKTJJQZIUDQNMN-SWLSCSKDSA-N -1 3 391.928 3.793 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823337751 606864622 /nfs/dbraw/zinc/86/46/22/606864622.db2.gz RMSWIVHPCFVRED-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000823337751 606864623 /nfs/dbraw/zinc/86/46/23/606864623.db2.gz RMSWIVHPCFVRED-UHFFFAOYSA-N -1 3 394.797 3.974 20 0 GHADHM CCc1nnc(N[C@@H](C)c2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c1CC ZINC000821527808 606911311 /nfs/dbraw/zinc/91/13/11/606911311.db2.gz GJIMQAOQBGQHJJ-JTQLQIEISA-N -1 3 389.410 3.556 20 0 GHADHM CCc1nnc(N[C@@H](C)c2ccc(OC(F)F)cc2)c(-c2nn[n-]n2)c1CC ZINC000821527808 606911314 /nfs/dbraw/zinc/91/13/14/606911314.db2.gz GJIMQAOQBGQHJJ-JTQLQIEISA-N -1 3 389.410 3.556 20 0 GHADHM CCc1nnc(N[C@H](C)c2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c1CC ZINC000821527809 606911344 /nfs/dbraw/zinc/91/13/44/606911344.db2.gz GJIMQAOQBGQHJJ-SNVBAGLBSA-N -1 3 389.410 3.556 20 0 GHADHM CCc1nnc(N[C@H](C)c2ccc(OC(F)F)cc2)c(-c2nn[n-]n2)c1CC ZINC000821527809 606911345 /nfs/dbraw/zinc/91/13/45/606911345.db2.gz GJIMQAOQBGQHJJ-SNVBAGLBSA-N -1 3 389.410 3.556 20 0 GHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455266 606921863 /nfs/dbraw/zinc/92/18/63/606921863.db2.gz GDAOGOPLDOGQRF-QMMMGPOBSA-N -1 3 389.341 3.641 20 0 GHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820455266 606921864 /nfs/dbraw/zinc/92/18/64/606921864.db2.gz GDAOGOPLDOGQRF-QMMMGPOBSA-N -1 3 389.341 3.641 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3ccnc3)cc2)c(-c2nnn[n-]2)c1 ZINC000822727902 606924968 /nfs/dbraw/zinc/92/49/68/606924968.db2.gz BEQLFFZTNNJPIX-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc(-n3ccnc3)cc2)c(-c2nn[n-]n2)c1 ZINC000822727902 606924970 /nfs/dbraw/zinc/92/49/70/606924970.db2.gz BEQLFFZTNNJPIX-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1-n1cccc1 ZINC000822226555 606963635 /nfs/dbraw/zinc/96/36/35/606963635.db2.gz YDEYLHXDXYNUQY-UHFFFAOYSA-N -1 3 392.850 3.896 20 0 GHADHM Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1-n1cccc1 ZINC000822226555 606963637 /nfs/dbraw/zinc/96/36/37/606963637.db2.gz YDEYLHXDXYNUQY-UHFFFAOYSA-N -1 3 392.850 3.896 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820050785 606966358 /nfs/dbraw/zinc/96/63/58/606966358.db2.gz GJYPDVNGXABEFF-SFHVURJKSA-N -1 3 383.402 3.541 20 0 GHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820050785 606966359 /nfs/dbraw/zinc/96/63/59/606966359.db2.gz GJYPDVNGXABEFF-SFHVURJKSA-N -1 3 383.402 3.541 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)n[nH]1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823299307 606970404 /nfs/dbraw/zinc/97/04/04/606970404.db2.gz RELLREOBNRREOP-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000819958488 606991693 /nfs/dbraw/zinc/99/16/93/606991693.db2.gz MFSFKSDNJMXAKT-UHFFFAOYSA-N -1 3 389.503 3.898 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000819958488 606991695 /nfs/dbraw/zinc/99/16/95/606991695.db2.gz MFSFKSDNJMXAKT-UHFFFAOYSA-N -1 3 389.503 3.898 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc(-c2cccs2)n1 ZINC000823426872 606992661 /nfs/dbraw/zinc/99/26/61/606992661.db2.gz PNPNAYUPQBUHTJ-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc(-c2cccs2)n1 ZINC000823426872 606992662 /nfs/dbraw/zinc/99/26/62/606992662.db2.gz PNPNAYUPQBUHTJ-UHFFFAOYSA-N -1 3 387.421 3.548 20 0 GHADHM Cc1cc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000822191884 606994198 /nfs/dbraw/zinc/99/41/98/606994198.db2.gz SZQPFZACFSVVTE-LBPRGKRZSA-N -1 3 385.493 3.580 20 0 GHADHM Cc1cc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822191884 606994199 /nfs/dbraw/zinc/99/41/99/606994199.db2.gz SZQPFZACFSVVTE-LBPRGKRZSA-N -1 3 385.493 3.580 20 0 GHADHM Cc1ccc([C@H](NC(=O)CSc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000822230740 607013816 /nfs/dbraw/zinc/01/38/16/607013816.db2.gz OXYJGGHCNYKOAW-IBGZPJMESA-N -1 3 379.489 3.535 20 0 GHADHM Cc1ccc([C@H](NC(=O)CSc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822230740 607013817 /nfs/dbraw/zinc/01/38/17/607013817.db2.gz OXYJGGHCNYKOAW-IBGZPJMESA-N -1 3 379.489 3.535 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822196647 607023309 /nfs/dbraw/zinc/02/33/09/607023309.db2.gz RGSDLLFPQXVDRZ-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822196647 607023310 /nfs/dbraw/zinc/02/33/10/607023310.db2.gz RGSDLLFPQXVDRZ-HNNXBMFYSA-N -1 3 379.464 3.518 20 0 GHADHM CCN(CC)[C@@H](C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000821175143 607052799 /nfs/dbraw/zinc/05/27/99/607052799.db2.gz FTARAKWSFMXDAM-MRXNPFEDSA-N -1 3 384.509 3.567 20 0 GHADHM COc1cc(OC)c([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821724785 607059324 /nfs/dbraw/zinc/05/93/24/607059324.db2.gz YCGXZZVTRDLEPY-JTQLQIEISA-N -1 3 391.834 3.527 20 0 GHADHM COc1cc(OC)c([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821724785 607059326 /nfs/dbraw/zinc/05/93/26/607059326.db2.gz YCGXZZVTRDLEPY-JTQLQIEISA-N -1 3 391.834 3.527 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822402528 607114680 /nfs/dbraw/zinc/11/46/80/607114680.db2.gz CZRRLSWHOIIPFW-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM Cc1coc(-c2ccc(C)c(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822402528 607114681 /nfs/dbraw/zinc/11/46/81/607114681.db2.gz CZRRLSWHOIIPFW-UHFFFAOYSA-N -1 3 375.392 3.783 20 0 GHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000822332067 607116796 /nfs/dbraw/zinc/11/67/96/607116796.db2.gz MDCXTNQXNVBQAU-DYVFJYSZSA-N -1 3 392.488 3.751 20 0 GHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000822332067 607116798 /nfs/dbraw/zinc/11/67/98/607116798.db2.gz MDCXTNQXNVBQAU-DYVFJYSZSA-N -1 3 392.488 3.751 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821127870 607138694 /nfs/dbraw/zinc/13/86/94/607138694.db2.gz NECJPXRVNSFUCD-GFCCVEGCSA-N -1 3 384.415 3.677 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821127870 607138695 /nfs/dbraw/zinc/13/86/95/607138695.db2.gz NECJPXRVNSFUCD-GFCCVEGCSA-N -1 3 384.415 3.677 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000822263241 607190959 /nfs/dbraw/zinc/19/09/59/607190959.db2.gz JTJILUFAOSSLJF-UHFFFAOYSA-N -1 3 385.855 3.935 20 0 GHADHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000822263241 607190960 /nfs/dbraw/zinc/19/09/60/607190960.db2.gz JTJILUFAOSSLJF-UHFFFAOYSA-N -1 3 385.855 3.935 20 0 GHADHM COc1cc(Cl)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821717623 607195049 /nfs/dbraw/zinc/19/50/49/607195049.db2.gz RQUFARVEKXMWPN-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1cc(Cl)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821717623 607195050 /nfs/dbraw/zinc/19/50/50/607195050.db2.gz RQUFARVEKXMWPN-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H](Cc1ccccc1)C1CC1 ZINC000823318606 607197045 /nfs/dbraw/zinc/19/70/45/607197045.db2.gz FSCMJAZBFKGHET-KRWDZBQOSA-N -1 3 382.855 3.663 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H](Cc1ccccc1)C1CC1 ZINC000823318606 607197046 /nfs/dbraw/zinc/19/70/46/607197046.db2.gz FSCMJAZBFKGHET-KRWDZBQOSA-N -1 3 382.855 3.663 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H](C)c1cccc(O)c1 ZINC000821153931 607199053 /nfs/dbraw/zinc/19/90/53/607199053.db2.gz HOUVSDBYJQUBGX-NSHDSACASA-N -1 3 386.843 3.841 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H](C)c1cccc(O)c1 ZINC000821153931 607199054 /nfs/dbraw/zinc/19/90/54/607199054.db2.gz HOUVSDBYJQUBGX-NSHDSACASA-N -1 3 386.843 3.841 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1F ZINC000820270175 607200758 /nfs/dbraw/zinc/20/07/58/607200758.db2.gz WYLVCDLDQBGPLF-VIFPVBQESA-N -1 3 392.797 3.724 20 0 GHADHM C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1F ZINC000820270175 607200759 /nfs/dbraw/zinc/20/07/59/607200759.db2.gz WYLVCDLDQBGPLF-VIFPVBQESA-N -1 3 392.797 3.724 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821454099 607201974 /nfs/dbraw/zinc/20/19/74/607201974.db2.gz DAKXEKMKKPNEOL-LBPRGKRZSA-N -1 3 380.905 3.660 20 0 GHADHM CCS[C@H]1CCCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821454099 607201975 /nfs/dbraw/zinc/20/19/75/607201975.db2.gz DAKXEKMKKPNEOL-LBPRGKRZSA-N -1 3 380.905 3.660 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccco3)c2-c2nnn[n-]2)C1 ZINC000819907752 607235373 /nfs/dbraw/zinc/23/53/73/607235373.db2.gz REKJTMICNLRRCV-LLVKDONJSA-N -1 3 385.493 3.853 20 0 GHADHM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccco3)c2-c2nn[n-]n2)C1 ZINC000819907752 607235374 /nfs/dbraw/zinc/23/53/74/607235374.db2.gz REKJTMICNLRRCV-LLVKDONJSA-N -1 3 385.493 3.853 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)CCC1CCCC1 ZINC000821698391 607240709 /nfs/dbraw/zinc/24/07/09/607240709.db2.gz HVJGLFFMJITEKM-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)CCC1CCCC1 ZINC000821698391 607240710 /nfs/dbraw/zinc/24/07/10/607240710.db2.gz HVJGLFFMJITEKM-UHFFFAOYSA-N -1 3 395.257 3.514 20 0 GHADHM Cc1nc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc(C2CC2)n1 ZINC000822453194 607250754 /nfs/dbraw/zinc/25/07/54/607250754.db2.gz DYRBUYWQWHWJNY-UHFFFAOYSA-N -1 3 397.442 3.762 20 0 GHADHM Cc1nc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc(C2CC2)n1 ZINC000822453194 607250755 /nfs/dbraw/zinc/25/07/55/607250755.db2.gz DYRBUYWQWHWJNY-UHFFFAOYSA-N -1 3 397.442 3.762 20 0 GHADHM Cc1c(NC(=S)Nc2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000822116008 607251796 /nfs/dbraw/zinc/25/17/96/607251796.db2.gz KJYLLTBGZCLRAX-UHFFFAOYSA-N -1 3 376.392 3.585 20 0 GHADHM Cc1c(NC(=S)Nc2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000822116008 607251797 /nfs/dbraw/zinc/25/17/97/607251797.db2.gz KJYLLTBGZCLRAX-UHFFFAOYSA-N -1 3 376.392 3.585 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826433743 607774031 /nfs/dbraw/zinc/77/40/31/607774031.db2.gz PKCPKFFQWLEEKZ-UHFFFAOYSA-N -1 3 391.500 3.938 20 0 GHADHM O=C(NCC1(C2CC2)CC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826433743 607774032 /nfs/dbraw/zinc/77/40/32/607774032.db2.gz PKCPKFFQWLEEKZ-UHFFFAOYSA-N -1 3 391.500 3.938 20 0 GHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ncnc2oc(-c3ccccc3)cc21 ZINC000826373519 607781816 /nfs/dbraw/zinc/78/18/16/607781816.db2.gz PDIBVLWKHJPNGW-UHFFFAOYSA-N -1 3 387.378 3.821 20 0 GHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ncnc2oc(-c3ccccc3)cc21 ZINC000826373519 607781817 /nfs/dbraw/zinc/78/18/17/607781817.db2.gz PDIBVLWKHJPNGW-UHFFFAOYSA-N -1 3 387.378 3.821 20 0 GHADHM C[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385413 607785922 /nfs/dbraw/zinc/78/59/22/607785922.db2.gz SHLBBTHZWDZIHR-SNVBAGLBSA-N -1 3 391.809 3.955 20 0 GHADHM C[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385413 607785923 /nfs/dbraw/zinc/78/59/23/607785923.db2.gz SHLBBTHZWDZIHR-SNVBAGLBSA-N -1 3 391.809 3.955 20 0 GHADHM C[C@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824491625 607793569 /nfs/dbraw/zinc/79/35/69/607793569.db2.gz VZCXXDMUVQICRA-INIZCTEOSA-N -1 3 390.491 3.691 20 0 GHADHM C[C@H](NC(=O)N1CCC(C)(c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824491625 607793570 /nfs/dbraw/zinc/79/35/70/607793570.db2.gz VZCXXDMUVQICRA-INIZCTEOSA-N -1 3 390.491 3.691 20 0 GHADHM CCN(C(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385565 607798492 /nfs/dbraw/zinc/79/84/92/607798492.db2.gz LBBGONDJZHXNKR-UHFFFAOYSA-N -1 3 390.472 3.581 20 0 GHADHM CCN(C(=O)c1cnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385565 607798493 /nfs/dbraw/zinc/79/84/93/607798493.db2.gz LBBGONDJZHXNKR-UHFFFAOYSA-N -1 3 390.472 3.581 20 0 GHADHM CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391448 607798692 /nfs/dbraw/zinc/79/86/92/607798692.db2.gz ZLIUGLIPKUXOBT-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391448 607798693 /nfs/dbraw/zinc/79/86/93/607798693.db2.gz ZLIUGLIPKUXOBT-UHFFFAOYSA-N -1 3 384.443 3.904 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385846 607800219 /nfs/dbraw/zinc/80/02/19/607800219.db2.gz UAVXSTAXDNLQLM-UHFFFAOYSA-N -1 3 375.388 3.919 20 0 GHADHM CCN(C(=O)c1ccc(Oc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385846 607800220 /nfs/dbraw/zinc/80/02/20/607800220.db2.gz UAVXSTAXDNLQLM-UHFFFAOYSA-N -1 3 375.388 3.919 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470057 607815915 /nfs/dbraw/zinc/81/59/15/607815915.db2.gz FOZKNMCYYKYXRK-KSSFIOAISA-N -1 3 379.464 3.600 20 0 GHADHM C[C@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470057 607815916 /nfs/dbraw/zinc/81/59/16/607815916.db2.gz FOZKNMCYYKYXRK-KSSFIOAISA-N -1 3 379.464 3.600 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC(C)(C)c1ccccc1 ZINC000825620539 607816759 /nfs/dbraw/zinc/81/67/59/607816759.db2.gz DBQMPBMVWBJBPS-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(C)(C)c1ccccc1 ZINC000825620539 607816760 /nfs/dbraw/zinc/81/67/60/607816760.db2.gz DBQMPBMVWBJBPS-UHFFFAOYSA-N -1 3 379.464 3.962 20 0 GHADHM CC(C)(C)SCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824123325 607817499 /nfs/dbraw/zinc/81/74/99/607817499.db2.gz DZJQOOIQZSANKK-UHFFFAOYSA-N -1 3 385.440 3.719 20 0 GHADHM CC(C)(C)SCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824123325 607817500 /nfs/dbraw/zinc/81/75/00/607817500.db2.gz DZJQOOIQZSANKK-UHFFFAOYSA-N -1 3 385.440 3.719 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826455937 607817926 /nfs/dbraw/zinc/81/79/26/607817926.db2.gz KFEKPCHYWLSXOZ-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826455937 607817927 /nfs/dbraw/zinc/81/79/27/607817927.db2.gz KFEKPCHYWLSXOZ-UHFFFAOYSA-N -1 3 398.854 3.595 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825195776 607844603 /nfs/dbraw/zinc/84/46/03/607844603.db2.gz YUEZZLVKBBTQFI-YPMHNXCESA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825195776 607844604 /nfs/dbraw/zinc/84/46/04/607844604.db2.gz YUEZZLVKBBTQFI-YPMHNXCESA-N -1 3 379.917 3.792 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000826290994 607844708 /nfs/dbraw/zinc/84/47/08/607844708.db2.gz KHWZIVGFXUVEPR-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000826290994 607844709 /nfs/dbraw/zinc/84/47/09/607844709.db2.gz KHWZIVGFXUVEPR-UHFFFAOYSA-N -1 3 377.832 3.698 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000826442661 607853967 /nfs/dbraw/zinc/85/39/67/607853967.db2.gz FYXCUDLIFVNRGU-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000826442661 607853968 /nfs/dbraw/zinc/85/39/68/607853968.db2.gz FYXCUDLIFVNRGU-UHFFFAOYSA-N -1 3 390.834 3.512 20 0 GHADHM O[C@H](COc1ccccc1SC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505286 607876017 /nfs/dbraw/zinc/87/60/17/607876017.db2.gz RGVAMLZRRSUFAP-GFCCVEGCSA-N -1 3 382.367 3.591 20 0 GHADHM O[C@H](COc1ccccc1SC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505286 607876018 /nfs/dbraw/zinc/87/60/18/607876018.db2.gz RGVAMLZRRSUFAP-GFCCVEGCSA-N -1 3 382.367 3.591 20 0 GHADHM CCN(C(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385933 607878191 /nfs/dbraw/zinc/87/81/91/607878191.db2.gz WAXTVLGGLGTCKV-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM CCN(C(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385933 607878192 /nfs/dbraw/zinc/87/81/92/607878192.db2.gz WAXTVLGGLGTCKV-UHFFFAOYSA-N -1 3 393.781 3.788 20 0 GHADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367026 607878757 /nfs/dbraw/zinc/87/87/57/607878757.db2.gz IFCVPMYBEQRQIB-CVEARBPZSA-N -1 3 385.830 3.816 20 0 GHADHM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367026 607878758 /nfs/dbraw/zinc/87/87/58/607878758.db2.gz IFCVPMYBEQRQIB-CVEARBPZSA-N -1 3 385.830 3.816 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376522 607879187 /nfs/dbraw/zinc/87/91/87/607879187.db2.gz IFPWPLAXELXTGS-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM CCN(C(=O)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376522 607879188 /nfs/dbraw/zinc/87/91/88/607879188.db2.gz IFPWPLAXELXTGS-UHFFFAOYSA-N -1 3 380.839 3.597 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826298162 607931055 /nfs/dbraw/zinc/93/10/55/607931055.db2.gz GRMWGVLNPMQMPN-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1cccc(Cl)c1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826298162 607931056 /nfs/dbraw/zinc/93/10/56/607931056.db2.gz GRMWGVLNPMQMPN-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM CCC(=O)c1cc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000825034591 607934833 /nfs/dbraw/zinc/93/48/33/607934833.db2.gz MPMQXYGJZIHHOJ-UHFFFAOYSA-N -1 3 395.438 3.901 20 0 GHADHM CCC(=O)c1cc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825034591 607934834 /nfs/dbraw/zinc/93/48/34/607934834.db2.gz MPMQXYGJZIHHOJ-UHFFFAOYSA-N -1 3 395.438 3.901 20 0 GHADHM c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826525462 607936426 /nfs/dbraw/zinc/93/64/26/607936426.db2.gz LJHNSKXQZIHFJM-UHFFFAOYSA-N -1 3 392.426 3.566 20 0 GHADHM c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826525462 607936427 /nfs/dbraw/zinc/93/64/27/607936427.db2.gz LJHNSKXQZIHFJM-UHFFFAOYSA-N -1 3 392.426 3.566 20 0 GHADHM O=C(c1ccccc1COc1ccccc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474597 607954728 /nfs/dbraw/zinc/95/47/28/607954728.db2.gz XCUQSGUUVPONAZ-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM O=C(c1ccccc1COc1ccccc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474597 607954729 /nfs/dbraw/zinc/95/47/29/607954729.db2.gz XCUQSGUUVPONAZ-UHFFFAOYSA-N -1 3 397.438 3.649 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000826185708 607980338 /nfs/dbraw/zinc/98/03/38/607980338.db2.gz REWFDKOAVURSFZ-UHFFFAOYSA-N -1 3 396.838 3.512 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000826185708 607980339 /nfs/dbraw/zinc/98/03/39/607980339.db2.gz REWFDKOAVURSFZ-UHFFFAOYSA-N -1 3 396.838 3.512 20 0 GHADHM CC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1C ZINC000824024337 608009678 /nfs/dbraw/zinc/00/96/78/608009678.db2.gz AMYRFACQEQFHKK-UHFFFAOYSA-N -1 3 390.447 3.574 20 0 GHADHM CC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1C ZINC000824024337 608009679 /nfs/dbraw/zinc/00/96/79/608009679.db2.gz AMYRFACQEQFHKK-UHFFFAOYSA-N -1 3 390.447 3.574 20 0 GHADHM CC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1C ZINC000824025202 608009802 /nfs/dbraw/zinc/00/98/02/608009802.db2.gz XBSRHZYRTFKTBE-UHFFFAOYSA-N -1 3 392.463 3.820 20 0 GHADHM CC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1C ZINC000824025202 608009803 /nfs/dbraw/zinc/00/98/03/608009803.db2.gz XBSRHZYRTFKTBE-UHFFFAOYSA-N -1 3 392.463 3.820 20 0 GHADHM Cc1ncsc1C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826255247 608012221 /nfs/dbraw/zinc/01/22/21/608012221.db2.gz QDRQYBJUNMJJGH-UHFFFAOYSA-N -1 3 398.492 3.520 20 0 GHADHM C[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824427747 608017010 /nfs/dbraw/zinc/01/70/10/608017010.db2.gz NZIOEGFEIJMAPD-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM C[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824427747 608017011 /nfs/dbraw/zinc/01/70/11/608017011.db2.gz NZIOEGFEIJMAPD-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392108 608051230 /nfs/dbraw/zinc/05/12/30/608051230.db2.gz LXOCQVCLRPEOEF-ZBEGNZNMSA-N -1 3 388.269 3.553 20 0 GHADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1c(Cl)ccc(Cl)c1Cl ZINC000826443036 608053424 /nfs/dbraw/zinc/05/34/24/608053424.db2.gz XDWGOKGBYNDUOB-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1c(Cl)ccc(Cl)c1Cl ZINC000826443036 608053425 /nfs/dbraw/zinc/05/34/25/608053425.db2.gz XDWGOKGBYNDUOB-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236626 608074199 /nfs/dbraw/zinc/07/41/99/608074199.db2.gz VIFYGFXGUMHCSJ-SECBINFHSA-N -1 3 392.797 3.989 20 0 GHADHM Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236626 608074200 /nfs/dbraw/zinc/07/42/00/608074200.db2.gz VIFYGFXGUMHCSJ-SECBINFHSA-N -1 3 392.797 3.989 20 0 GHADHM COc1ccc(CNc2cc(C(F)(F)F)ccc2N(C)C)cc1-c1nnn[n-]1 ZINC000826203207 608112202 /nfs/dbraw/zinc/11/22/02/608112202.db2.gz DDRLURWTOSZLCG-UHFFFAOYSA-N -1 3 392.385 3.572 20 0 GHADHM COc1ccc(CNc2cc(C(F)(F)F)ccc2N(C)C)cc1-c1nn[n-]n1 ZINC000826203207 608112203 /nfs/dbraw/zinc/11/22/03/608112203.db2.gz DDRLURWTOSZLCG-UHFFFAOYSA-N -1 3 392.385 3.572 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1NCc1ccccc1 ZINC000825958414 608115776 /nfs/dbraw/zinc/11/57/76/608115776.db2.gz VPXSJXDZCVYPRQ-UHFFFAOYSA-N -1 3 398.470 3.751 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1NCc1ccccc1 ZINC000825958414 608115777 /nfs/dbraw/zinc/11/57/77/608115777.db2.gz VPXSJXDZCVYPRQ-UHFFFAOYSA-N -1 3 398.470 3.751 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000825076694 608137777 /nfs/dbraw/zinc/13/77/77/608137777.db2.gz XNOBDARNUYCDIK-CQSZACIVSA-N -1 3 395.463 3.658 20 0 GHADHM CC[C@@H](C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000825076694 608137778 /nfs/dbraw/zinc/13/77/78/608137778.db2.gz XNOBDARNUYCDIK-CQSZACIVSA-N -1 3 395.463 3.658 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082670 608184380 /nfs/dbraw/zinc/18/43/80/608184380.db2.gz UQUHBYMDAVKQLO-OLZOCXBDSA-N -1 3 380.452 3.830 20 0 GHADHM CC[C@@H](C)n1ncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082670 608184382 /nfs/dbraw/zinc/18/43/82/608184382.db2.gz UQUHBYMDAVKQLO-OLZOCXBDSA-N -1 3 380.452 3.830 20 0 GHADHM CCN(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000825377144 608205942 /nfs/dbraw/zinc/20/59/42/608205942.db2.gz VBUCRXJDZJPPCJ-UHFFFAOYSA-N -1 3 379.917 3.793 20 0 GHADHM CCN(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000825377144 608205943 /nfs/dbraw/zinc/20/59/43/608205943.db2.gz VBUCRXJDZJPPCJ-UHFFFAOYSA-N -1 3 379.917 3.793 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCc2ccccc21 ZINC000824754535 608207083 /nfs/dbraw/zinc/20/70/83/608207083.db2.gz IGVGLVXXPXVBIN-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCc2ccccc21 ZINC000824754535 608207084 /nfs/dbraw/zinc/20/70/84/608207084.db2.gz IGVGLVXXPXVBIN-NSHDSACASA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000824754561 608207204 /nfs/dbraw/zinc/20/72/04/608207204.db2.gz IOPNEQWIWZYNPX-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000824754561 608207206 /nfs/dbraw/zinc/20/72/06/608207206.db2.gz IOPNEQWIWZYNPX-NWDGAFQWSA-N -1 3 387.896 3.878 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824119598 608227388 /nfs/dbraw/zinc/22/73/88/608227388.db2.gz LVYLJJPYJFUMAO-UHFFFAOYSA-N -1 3 386.456 3.992 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824119598 608227390 /nfs/dbraw/zinc/22/73/90/608227390.db2.gz LVYLJJPYJFUMAO-UHFFFAOYSA-N -1 3 386.456 3.992 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824152328 608231171 /nfs/dbraw/zinc/23/11/71/608231171.db2.gz AKHZCYJGMZWPGP-KRWDZBQOSA-N -1 3 388.479 3.856 20 0 GHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824152328 608231173 /nfs/dbraw/zinc/23/11/73/608231173.db2.gz AKHZCYJGMZWPGP-KRWDZBQOSA-N -1 3 388.479 3.856 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824385678 608256178 /nfs/dbraw/zinc/25/61/78/608256178.db2.gz YXKSGPXKTOHKJP-UONOGXRCSA-N -1 3 383.883 3.966 20 0 GHADHM C[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824385678 608256180 /nfs/dbraw/zinc/25/61/80/608256180.db2.gz YXKSGPXKTOHKJP-UONOGXRCSA-N -1 3 383.883 3.966 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2sc3c(c21)CCC3 ZINC000826173803 608261345 /nfs/dbraw/zinc/26/13/45/608261345.db2.gz VQLBBQMCPKDOPU-UHFFFAOYSA-N -1 3 396.501 3.661 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2sc3c(c21)CCC3 ZINC000826173803 608261347 /nfs/dbraw/zinc/26/13/47/608261347.db2.gz VQLBBQMCPKDOPU-UHFFFAOYSA-N -1 3 396.501 3.661 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824929181 608266423 /nfs/dbraw/zinc/26/64/23/608266423.db2.gz WXCSKRCYJFQPJX-YLJYHZDGSA-N -1 3 399.539 3.981 20 0 GHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824929181 608266424 /nfs/dbraw/zinc/26/64/24/608266424.db2.gz WXCSKRCYJFQPJX-YLJYHZDGSA-N -1 3 399.539 3.981 20 0 GHADHM Brc1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000823826992 608273759 /nfs/dbraw/zinc/27/37/59/608273759.db2.gz RRWNIROBSJEZGO-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM Brc1cc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cs1 ZINC000823826992 608273761 /nfs/dbraw/zinc/27/37/61/608273761.db2.gz RRWNIROBSJEZGO-UHFFFAOYSA-N -1 3 391.298 3.577 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000826277534 608279325 /nfs/dbraw/zinc/27/93/25/608279325.db2.gz XJDROZZRTYNONF-UHFFFAOYSA-N -1 3 391.479 3.701 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000826277534 608279327 /nfs/dbraw/zinc/27/93/27/608279327.db2.gz XJDROZZRTYNONF-UHFFFAOYSA-N -1 3 391.479 3.701 20 0 GHADHM COC[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000826152206 608297486 /nfs/dbraw/zinc/29/74/86/608297486.db2.gz SYHXUNNPKWGUKM-HNNXBMFYSA-N -1 3 399.323 3.963 20 0 GHADHM COC[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000826152206 608297487 /nfs/dbraw/zinc/29/74/87/608297487.db2.gz SYHXUNNPKWGUKM-HNNXBMFYSA-N -1 3 399.323 3.963 20 0 GHADHM C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824746111 608305151 /nfs/dbraw/zinc/30/51/51/608305151.db2.gz VLDLPZPSQLCYEP-INIZCTEOSA-N -1 3 399.454 3.617 20 0 GHADHM C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824746111 608305153 /nfs/dbraw/zinc/30/51/53/608305153.db2.gz VLDLPZPSQLCYEP-INIZCTEOSA-N -1 3 399.454 3.617 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000824929457 608309212 /nfs/dbraw/zinc/30/92/12/608309212.db2.gz XPIMEXPIGZLGLO-QFBILLFUSA-N -1 3 397.523 3.912 20 0 GHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000824929457 608309215 /nfs/dbraw/zinc/30/92/15/608309215.db2.gz XPIMEXPIGZLGLO-QFBILLFUSA-N -1 3 397.523 3.912 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C[C@@H]1C ZINC000824957601 608313352 /nfs/dbraw/zinc/31/33/52/608313352.db2.gz XZMFUCQXNYNWJG-CABCVRRESA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C[C@@H]1C ZINC000824957601 608313354 /nfs/dbraw/zinc/31/33/54/608313354.db2.gz XZMFUCQXNYNWJG-CABCVRRESA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824521278 608314539 /nfs/dbraw/zinc/31/45/39/608314539.db2.gz JLNRPJRRASDCKC-VHSXEESVSA-N -1 3 395.410 3.869 20 0 GHADHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824521278 608314540 /nfs/dbraw/zinc/31/45/40/608314540.db2.gz JLNRPJRRASDCKC-VHSXEESVSA-N -1 3 395.410 3.869 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000826170690 608320605 /nfs/dbraw/zinc/32/06/05/608320605.db2.gz LEVTUVPPPIXNCN-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000826170690 608320607 /nfs/dbraw/zinc/32/06/07/608320607.db2.gz LEVTUVPPPIXNCN-UHFFFAOYSA-N -1 3 394.479 3.780 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1cc(Cl)c(C=O)cc1Cl ZINC000826173029 608325481 /nfs/dbraw/zinc/32/54/81/608325481.db2.gz JYBQCZUJNLSHOA-UHFFFAOYSA-N -1 3 379.203 3.574 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1cc(Cl)c(C=O)cc1Cl ZINC000826173029 608325483 /nfs/dbraw/zinc/32/54/83/608325483.db2.gz JYBQCZUJNLSHOA-UHFFFAOYSA-N -1 3 379.203 3.574 20 0 GHADHM C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824908183 608355803 /nfs/dbraw/zinc/35/58/03/608355803.db2.gz NIFXWKRFHMVIPH-GASCZTMLSA-N -1 3 376.464 3.616 20 0 GHADHM C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824908183 608355805 /nfs/dbraw/zinc/35/58/05/608355805.db2.gz NIFXWKRFHMVIPH-GASCZTMLSA-N -1 3 376.464 3.616 20 0 GHADHM CSc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1C ZINC000826230986 608390750 /nfs/dbraw/zinc/39/07/50/608390750.db2.gz RLEBYAZRDMFCLM-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM CSc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1C ZINC000826230986 608390751 /nfs/dbraw/zinc/39/07/51/608390751.db2.gz RLEBYAZRDMFCLM-UHFFFAOYSA-N -1 3 379.449 3.559 20 0 GHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1c(F)cccc1F ZINC000824613566 608433582 /nfs/dbraw/zinc/43/35/82/608433582.db2.gz VEJDTCSKWUTNOD-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1c(F)cccc1F ZINC000824613566 608433583 /nfs/dbraw/zinc/43/35/83/608433583.db2.gz VEJDTCSKWUTNOD-VIFPVBQESA-N -1 3 381.333 3.597 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Oc2ccccc2)ccn1 ZINC000826466305 608450752 /nfs/dbraw/zinc/45/07/52/608450752.db2.gz XDCIBOUNYPGZND-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Oc2ccccc2)ccn1 ZINC000826466305 608450754 /nfs/dbraw/zinc/45/07/54/608450754.db2.gz XDCIBOUNYPGZND-UHFFFAOYSA-N -1 3 391.362 3.550 20 0 GHADHM Cc1ccc(-c2noc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)cc1 ZINC000826281014 608466344 /nfs/dbraw/zinc/46/63/44/608466344.db2.gz ZPSNVTKFOYEUMY-UHFFFAOYSA-N -1 3 399.458 3.514 20 0 GHADHM COc1cccc(-c2nc(CN[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826213679 608486778 /nfs/dbraw/zinc/48/67/78/608486778.db2.gz GUSFSVXLXHEABI-ZDUSSCGKSA-N -1 3 392.488 3.850 20 0 GHADHM CCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1Br ZINC000825428439 608532372 /nfs/dbraw/zinc/53/23/72/608532372.db2.gz MZIGZBLZJBXQBI-UHFFFAOYSA-N -1 3 378.299 3.713 20 0 GHADHM CCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1Br ZINC000825428439 608532374 /nfs/dbraw/zinc/53/23/74/608532374.db2.gz MZIGZBLZJBXQBI-UHFFFAOYSA-N -1 3 378.299 3.713 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000826280688 608541186 /nfs/dbraw/zinc/54/11/86/608541186.db2.gz MFBWYZJRWFDNMA-UHFFFAOYSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826278298 608549178 /nfs/dbraw/zinc/54/91/78/608549178.db2.gz WUALPSLIORCNIC-QGZVFWFLSA-N -1 3 394.483 3.664 20 0 GHADHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826278298 608549180 /nfs/dbraw/zinc/54/91/80/608549180.db2.gz WUALPSLIORCNIC-QGZVFWFLSA-N -1 3 394.483 3.664 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000824520795 608574453 /nfs/dbraw/zinc/57/44/53/608574453.db2.gz FIXOSJQUHDORBS-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824520795 608574454 /nfs/dbraw/zinc/57/44/54/608574454.db2.gz FIXOSJQUHDORBS-VIFPVBQESA-N -1 3 393.781 3.613 20 0 GHADHM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824087563 608574894 /nfs/dbraw/zinc/57/48/94/608574894.db2.gz XGXQLSZGBCJCGU-UHFFFAOYSA-N -1 3 375.782 3.571 20 0 GHADHM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824087563 608574896 /nfs/dbraw/zinc/57/48/96/608574896.db2.gz XGXQLSZGBCJCGU-UHFFFAOYSA-N -1 3 375.782 3.571 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825114581 608581910 /nfs/dbraw/zinc/58/19/10/608581910.db2.gz OAFALYTYBIMHFX-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825114581 608581912 /nfs/dbraw/zinc/58/19/12/608581912.db2.gz OAFALYTYBIMHFX-UHFFFAOYSA-N -1 3 397.483 3.772 20 0 GHADHM Clc1cccc2c1OCCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826350874 608589589 /nfs/dbraw/zinc/58/95/89/608589589.db2.gz OOZBTVXIFOZBAK-CYBMUJFWSA-N -1 3 377.235 3.894 20 0 GHADHM Clc1cccc2c1OCCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826350874 608589592 /nfs/dbraw/zinc/58/95/92/608589592.db2.gz OOZBTVXIFOZBAK-CYBMUJFWSA-N -1 3 377.235 3.894 20 0 GHADHM C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)[C@H]1C ZINC000824937268 608597273 /nfs/dbraw/zinc/59/72/73/608597273.db2.gz PDBUXDBYDZGYBZ-KGLIPLIRSA-N -1 3 393.451 3.706 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000824255768 608610252 /nfs/dbraw/zinc/61/02/52/608610252.db2.gz XDEOQISXJFGWBF-UHFFFAOYSA-N -1 3 392.463 3.587 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000824255768 608610254 /nfs/dbraw/zinc/61/02/54/608610254.db2.gz XDEOQISXJFGWBF-UHFFFAOYSA-N -1 3 392.463 3.587 20 0 GHADHM Fc1c(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cccc1-c1nnn[n-]1 ZINC000826370603 608655138 /nfs/dbraw/zinc/65/51/38/608655138.db2.gz AMGFWWDEXOGOTO-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Fc1c(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cccc1-c1nn[n-]n1 ZINC000826370603 608655140 /nfs/dbraw/zinc/65/51/40/608655140.db2.gz AMGFWWDEXOGOTO-IBGZPJMESA-N -1 3 394.841 3.933 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000826251257 608822269 /nfs/dbraw/zinc/82/22/69/608822269.db2.gz JXMFFKBYNYQROL-MRXNPFEDSA-N -1 3 377.429 3.578 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000826251257 608822272 /nfs/dbraw/zinc/82/22/72/608822272.db2.gz JXMFFKBYNYQROL-MRXNPFEDSA-N -1 3 377.429 3.578 20 0 GHADHM Clc1ccc(/C=C/CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351184 608850323 /nfs/dbraw/zinc/85/03/23/608850323.db2.gz BDICUDBSFANSOE-LSTKMXGYSA-N -1 3 381.867 3.607 20 0 GHADHM Clc1ccc(/C=C/CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351184 608850325 /nfs/dbraw/zinc/85/03/25/608850325.db2.gz BDICUDBSFANSOE-LSTKMXGYSA-N -1 3 381.867 3.607 20 0 GHADHM C[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824471029 608884788 /nfs/dbraw/zinc/88/47/88/608884788.db2.gz NGTWLKKRWDJRKV-CYBMUJFWSA-N -1 3 381.867 3.720 20 0 GHADHM C[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824471029 608884791 /nfs/dbraw/zinc/88/47/91/608884791.db2.gz NGTWLKKRWDJRKV-CYBMUJFWSA-N -1 3 381.867 3.720 20 0 GHADHM CCOc1cc(Cl)ccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825615723 609155138 /nfs/dbraw/zinc/15/51/38/609155138.db2.gz ILQVLSBKORGDFE-LLVKDONJSA-N -1 3 375.835 3.909 20 0 GHADHM CC(C)C(=O)Nc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000824185384 609163940 /nfs/dbraw/zinc/16/39/40/609163940.db2.gz YAZTYEDNGVIOKE-LJQANCHMSA-N -1 3 376.464 3.951 20 0 GHADHM CC(C)C(=O)Nc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000824185384 609163941 /nfs/dbraw/zinc/16/39/41/609163941.db2.gz YAZTYEDNGVIOKE-LJQANCHMSA-N -1 3 376.464 3.951 20 0 GHADHM Fc1ccccc1-c1nnc(SCc2ccccc2-c2nnn[n-]2)n1C1CC1 ZINC000826377996 609166177 /nfs/dbraw/zinc/16/61/77/609166177.db2.gz QCXQEHLBCDILOE-UHFFFAOYSA-N -1 3 393.451 3.892 20 0 GHADHM Fc1ccccc1-c1nnc(SCc2ccccc2-c2nn[n-]n2)n1C1CC1 ZINC000826377996 609166178 /nfs/dbraw/zinc/16/61/78/609166178.db2.gz QCXQEHLBCDILOE-UHFFFAOYSA-N -1 3 393.451 3.892 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C(C)C)on2)c1-c1nnn[n-]1 ZINC000826234338 609166634 /nfs/dbraw/zinc/16/66/34/609166634.db2.gz RKBCUGIZCWHZLO-UHFFFAOYSA-N -1 3 391.435 3.638 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C(C)C)on2)c1-c1nn[n-]n1 ZINC000826234338 609166635 /nfs/dbraw/zinc/16/66/35/609166635.db2.gz RKBCUGIZCWHZLO-UHFFFAOYSA-N -1 3 391.435 3.638 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1c(F)cccc1Br ZINC000825481400 609178148 /nfs/dbraw/zinc/17/81/48/609178148.db2.gz YIZGBTZQVMLXQX-UHFFFAOYSA-N -1 3 391.248 3.812 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000826170634 609180712 /nfs/dbraw/zinc/18/07/12/609180712.db2.gz JCAFJSMPFCGYGH-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000826170634 609180715 /nfs/dbraw/zinc/18/07/15/609180715.db2.gz JCAFJSMPFCGYGH-UHFFFAOYSA-N -1 3 395.854 3.635 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824770777 609203886 /nfs/dbraw/zinc/20/38/86/609203886.db2.gz MHDWVZAGMUNTOR-ZDUSSCGKSA-N -1 3 378.461 3.660 20 0 GHADHM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824770777 609203888 /nfs/dbraw/zinc/20/38/88/609203888.db2.gz MHDWVZAGMUNTOR-ZDUSSCGKSA-N -1 3 378.461 3.660 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824348044 609208214 /nfs/dbraw/zinc/20/82/14/609208214.db2.gz XUHGFWCPIKKWPJ-IBGZPJMESA-N -1 3 379.464 3.786 20 0 GHADHM CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824348044 609208216 /nfs/dbraw/zinc/20/82/16/609208216.db2.gz XUHGFWCPIKKWPJ-IBGZPJMESA-N -1 3 379.464 3.786 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825076920 609216114 /nfs/dbraw/zinc/21/61/14/609216114.db2.gz YZIWUDOYHTUOQI-FZKQIMNGSA-N -1 3 397.504 3.738 20 0 GHADHM CC[C@@H](C)Sc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825076920 609216116 /nfs/dbraw/zinc/21/61/16/609216116.db2.gz YZIWUDOYHTUOQI-FZKQIMNGSA-N -1 3 397.504 3.738 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1Nc1ccc(F)cc1 ZINC000826422142 609264805 /nfs/dbraw/zinc/26/48/05/609264805.db2.gz NSUCYGDCDRRIHC-UHFFFAOYSA-N -1 3 388.406 3.931 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1Nc1ccc(F)cc1 ZINC000826422142 609264806 /nfs/dbraw/zinc/26/48/06/609264806.db2.gz NSUCYGDCDRRIHC-UHFFFAOYSA-N -1 3 388.406 3.931 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656809 609270381 /nfs/dbraw/zinc/27/03/81/609270381.db2.gz NBSXUOUIRSVBRU-MRFFXTKBSA-N -1 3 397.454 3.861 20 0 GHADHM C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656809 609270383 /nfs/dbraw/zinc/27/03/83/609270383.db2.gz NBSXUOUIRSVBRU-MRFFXTKBSA-N -1 3 397.454 3.861 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nnn[n-]3)c(F)c1)O[C@H](C)C2 ZINC000825621389 609273889 /nfs/dbraw/zinc/27/38/89/609273889.db2.gz RSVUUYFHRIAPNG-VXGBXAGGSA-N -1 3 383.427 3.901 20 0 GHADHM CCOc1cc2c(cc1N[C@H](C)c1ccc(-c3nn[n-]n3)c(F)c1)O[C@H](C)C2 ZINC000825621389 609273890 /nfs/dbraw/zinc/27/38/90/609273890.db2.gz RSVUUYFHRIAPNG-VXGBXAGGSA-N -1 3 383.427 3.901 20 0 GHADHM Fc1cccc(-n2ccc(NCc3ccc(Cl)s3)n2)c1-c1nnn[n-]1 ZINC000826376789 609279331 /nfs/dbraw/zinc/27/93/31/609279331.db2.gz RXHMCFOMZBSYOH-UHFFFAOYSA-N -1 3 375.820 3.519 20 0 GHADHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC1CCOCC1 ZINC000826270690 609280419 /nfs/dbraw/zinc/28/04/19/609280419.db2.gz LEMOODHWLFQDRZ-OAHLLOKOSA-N -1 3 379.464 3.906 20 0 GHADHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC1CCOCC1 ZINC000826270690 609280421 /nfs/dbraw/zinc/28/04/21/609280421.db2.gz LEMOODHWLFQDRZ-OAHLLOKOSA-N -1 3 379.464 3.906 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825981634 609288549 /nfs/dbraw/zinc/28/85/49/609288549.db2.gz VUQUGWZMTMNYLT-UHFFFAOYSA-N -1 3 377.835 3.946 20 0 GHADHM CN(Cc1cccc2ccccc21)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825981634 609288550 /nfs/dbraw/zinc/28/85/50/609288550.db2.gz VUQUGWZMTMNYLT-UHFFFAOYSA-N -1 3 377.835 3.946 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825338698 609292689 /nfs/dbraw/zinc/29/26/89/609292689.db2.gz FJINJOKAAIPKCQ-UHFFFAOYSA-N -1 3 375.791 3.700 20 0 GHADHM CCCOc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825338698 609292690 /nfs/dbraw/zinc/29/26/90/609292690.db2.gz FJINJOKAAIPKCQ-UHFFFAOYSA-N -1 3 375.791 3.700 20 0 GHADHM CC(=O)c1cc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000824009547 609303488 /nfs/dbraw/zinc/30/34/88/609303488.db2.gz ADPNTEHPSQTCED-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM CC(=O)c1cc(F)ccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000824009547 609303491 /nfs/dbraw/zinc/30/34/91/609303491.db2.gz ADPNTEHPSQTCED-UHFFFAOYSA-N -1 3 391.200 3.550 20 0 GHADHM Fc1ccc(C2=CC[C@@H](NC(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826373971 609310054 /nfs/dbraw/zinc/31/00/54/609310054.db2.gz GZZGLOMCEXKPEQ-MRXNPFEDSA-N -1 3 394.479 3.928 20 0 GHADHM Fc1ccc(C2=CC[C@@H](NC(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826373971 609310056 /nfs/dbraw/zinc/31/00/56/609310056.db2.gz GZZGLOMCEXKPEQ-MRXNPFEDSA-N -1 3 394.479 3.928 20 0 GHADHM O=C(Nc1cccnc1Cl)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826457668 609311937 /nfs/dbraw/zinc/31/19/37/609311937.db2.gz LDQKQTVOISWJLJ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1cccnc1Cl)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826457668 609311938 /nfs/dbraw/zinc/31/19/38/609311938.db2.gz LDQKQTVOISWJLJ-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824457042 609312267 /nfs/dbraw/zinc/31/22/67/609312267.db2.gz CUANUSHVDYJZKU-CQSZACIVSA-N -1 3 389.415 3.613 20 0 GHADHM C[C@H](Cc1ccco1)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824457042 609312268 /nfs/dbraw/zinc/31/22/68/609312268.db2.gz CUANUSHVDYJZKU-CQSZACIVSA-N -1 3 389.415 3.613 20 0 GHADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826429109 609315127 /nfs/dbraw/zinc/31/51/27/609315127.db2.gz UOXNHRRYTFODRG-OALUTQOASA-N -1 3 397.438 3.945 20 0 GHADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826429109 609315129 /nfs/dbraw/zinc/31/51/29/609315129.db2.gz UOXNHRRYTFODRG-OALUTQOASA-N -1 3 397.438 3.945 20 0 GHADHM Fc1cccc(-n2ccc(NCc3ccccc3C3CC3)n2)c1-c1nnn[n-]1 ZINC000826376471 609320979 /nfs/dbraw/zinc/32/09/79/609320979.db2.gz FPARESHTLHMDDN-UHFFFAOYSA-N -1 3 375.411 3.681 20 0 GHADHM Fc1cccc(-n2ccc(NCc3cscc3Cl)n2)c1-c1nnn[n-]1 ZINC000826376892 609321038 /nfs/dbraw/zinc/32/10/38/609321038.db2.gz XEXYMNOOXZQNOF-UHFFFAOYSA-N -1 3 375.820 3.519 20 0 GHADHM C[C@H](N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824539648 609331450 /nfs/dbraw/zinc/33/14/50/609331450.db2.gz PBXVMUNGGBUITP-NXXSPTCGSA-N -1 3 385.418 3.716 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826408517 609350618 /nfs/dbraw/zinc/35/06/18/609350618.db2.gz JOTRPXQFNGFLJY-HXUWFJFHSA-N -1 3 391.450 3.691 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826408517 609350620 /nfs/dbraw/zinc/35/06/20/609350620.db2.gz JOTRPXQFNGFLJY-HXUWFJFHSA-N -1 3 391.450 3.691 20 0 GHADHM C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824770187 609363737 /nfs/dbraw/zinc/36/37/37/609363737.db2.gz GCNURVJFYJMUGH-NSHDSACASA-N -1 3 388.269 3.528 20 0 GHADHM C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824770187 609363740 /nfs/dbraw/zinc/36/37/40/609363740.db2.gz GCNURVJFYJMUGH-NSHDSACASA-N -1 3 388.269 3.528 20 0 GHADHM Clc1cc(N[C@H]2CCCOC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826350779 609369492 /nfs/dbraw/zinc/36/94/92/609369492.db2.gz KVSNQLANRRRULF-INIZCTEOSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1cc(N[C@H]2CCCOC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826350779 609369494 /nfs/dbraw/zinc/36/94/94/609369494.db2.gz KVSNQLANRRRULF-INIZCTEOSA-N -1 3 385.855 3.690 20 0 GHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCO1 ZINC000824216219 609370628 /nfs/dbraw/zinc/37/06/28/609370628.db2.gz PEASKQAMJNUBPK-OCCSQVGLSA-N -1 3 389.525 3.587 20 0 GHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCO1 ZINC000824216219 609370630 /nfs/dbraw/zinc/37/06/30/609370630.db2.gz PEASKQAMJNUBPK-OCCSQVGLSA-N -1 3 389.525 3.587 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000824883631 609387893 /nfs/dbraw/zinc/38/78/93/609387893.db2.gz IECAFOARBUDOPS-CABCVRRESA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H]1C[C@@H](COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000824883631 609387894 /nfs/dbraw/zinc/38/78/94/609387894.db2.gz IECAFOARBUDOPS-CABCVRRESA-N -1 3 394.431 3.631 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000826254828 609401461 /nfs/dbraw/zinc/40/14/61/609401461.db2.gz CAETVFCSKBHDCQ-ACJLOTCBSA-N -1 3 395.438 3.788 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000826254828 609401464 /nfs/dbraw/zinc/40/14/64/609401464.db2.gz CAETVFCSKBHDCQ-ACJLOTCBSA-N -1 3 395.438 3.788 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)C2)C1 ZINC000824919717 609405739 /nfs/dbraw/zinc/40/57/39/609405739.db2.gz XLUWIBVPQLAWOD-ADLMAVQZSA-N -1 3 392.410 3.512 20 0 GHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(F)F)C2)C1 ZINC000824919717 609405742 /nfs/dbraw/zinc/40/57/42/609405742.db2.gz XLUWIBVPQLAWOD-ADLMAVQZSA-N -1 3 392.410 3.512 20 0 GHADHM O=[S@@](CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826496014 609453786 /nfs/dbraw/zinc/45/37/86/609453786.db2.gz IPJDZJAKMCJUIF-SANMLTNESA-N -1 3 398.435 3.785 20 0 GHADHM O=[S@@](CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000826496014 609453788 /nfs/dbraw/zinc/45/37/88/609453788.db2.gz IPJDZJAKMCJUIF-SANMLTNESA-N -1 3 398.435 3.785 20 0 GHADHM Cc1ncsc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826331313 609484441 /nfs/dbraw/zinc/48/44/41/609484441.db2.gz CQARPYHDCMCONX-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM Cc1ncsc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826331313 609484443 /nfs/dbraw/zinc/48/44/43/609484443.db2.gz CQARPYHDCMCONX-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C/c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000825553165 609488438 /nfs/dbraw/zinc/48/84/38/609488438.db2.gz KIZGXRZMKZQMJN-ONEGZZNKSA-N -1 3 382.399 3.700 20 0 GHADHM CCOC(=O)Nc1ccc(NC/C=C/c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000825553165 609488441 /nfs/dbraw/zinc/48/84/41/609488441.db2.gz KIZGXRZMKZQMJN-ONEGZZNKSA-N -1 3 382.399 3.700 20 0 GHADHM Clc1ccc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000826352631 609511644 /nfs/dbraw/zinc/51/16/44/609511644.db2.gz IHBXZPGOVWIOJR-MRXNPFEDSA-N -1 3 385.855 3.690 20 0 GHADHM Clc1ccc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000826352631 609511645 /nfs/dbraw/zinc/51/16/45/609511645.db2.gz IHBXZPGOVWIOJR-MRXNPFEDSA-N -1 3 385.855 3.690 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825254533 609525825 /nfs/dbraw/zinc/52/58/25/609525825.db2.gz TXGIXOWTUTYLJY-JKSUJKDBSA-N -1 3 395.463 3.588 20 0 GHADHM CCC[C@@H]1C[C@@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825254533 609525827 /nfs/dbraw/zinc/52/58/27/609525827.db2.gz TXGIXOWTUTYLJY-JKSUJKDBSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c1-c1nnn[n-]1 ZINC000826237582 609532802 /nfs/dbraw/zinc/53/28/02/609532802.db2.gz FFEPVFJOJYYAIL-LBPRGKRZSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1c(Cl)cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c1-c1nn[n-]n1 ZINC000826237582 609532804 /nfs/dbraw/zinc/53/28/04/609532804.db2.gz FFEPVFJOJYYAIL-LBPRGKRZSA-N -1 3 395.854 3.749 20 0 GHADHM Cc1ccnc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826311706 609577765 /nfs/dbraw/zinc/57/77/65/609577765.db2.gz LPFGWZPRZWYTMU-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM Cc1ccnc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826311706 609577768 /nfs/dbraw/zinc/57/77/68/609577768.db2.gz LPFGWZPRZWYTMU-KRWDZBQOSA-N -1 3 377.839 3.820 20 0 GHADHM COCC[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826154567 609588060 /nfs/dbraw/zinc/58/80/60/609588060.db2.gz RTBQCOMVMJIJGQ-LBPRGKRZSA-N -1 3 381.358 3.538 20 0 GHADHM COc1ccc(CNCc2ccc(Oc3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826202979 609593250 /nfs/dbraw/zinc/59/32/50/609593250.db2.gz UZBWFVPNZKAIBI-UHFFFAOYSA-N -1 3 377.404 3.550 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826264280 609602656 /nfs/dbraw/zinc/60/26/56/609602656.db2.gz IJMKHAWUQSSTNW-APWZRJJASA-N -1 3 390.491 3.744 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826264280 609602658 /nfs/dbraw/zinc/60/26/58/609602658.db2.gz IJMKHAWUQSSTNW-APWZRJJASA-N -1 3 390.491 3.744 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@@H]2C1 ZINC001164901872 721498158 /nfs/dbraw/zinc/49/81/58/721498158.db2.gz WSWVBGRAHMUGOM-XQQFMLRXSA-N -1 3 389.899 3.995 20 0 GHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165035099 721881182 /nfs/dbraw/zinc/88/11/82/721881182.db2.gz AUHMKOJTELAAPD-UHFFFAOYSA-N -1 3 393.850 3.960 20 0 GHADHM O=S(=O)([N-][C@H](c1nccs1)c1ccccc1)c1cccnc1C(F)(F)F ZINC000376244607 837568661 /nfs/dbraw/zinc/56/86/61/837568661.db2.gz VPRSJCSHNHVDMH-ZDUSSCGKSA-N -1 3 399.419 3.625 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2cc(F)c([O-])c(F)c2)c2cccs2)CC1 ZINC000176951020 837614683 /nfs/dbraw/zinc/61/46/83/837614683.db2.gz FCBMFVRTCFLSML-INIZCTEOSA-N -1 3 380.460 3.935 20 0 GHADHM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000613341110 837692624 /nfs/dbraw/zinc/69/26/24/837692624.db2.gz HGZRWWCLDICBOJ-VIFPVBQESA-N -1 3 393.266 3.947 20 0 GHADHM O=C1C[C@@H](NCc2c(F)ccc([O-])c2F)CN1c1cccc(C(F)(F)F)c1 ZINC000511494252 837763683 /nfs/dbraw/zinc/76/36/83/837763683.db2.gz JYHYMBNSJPMZSS-LLVKDONJSA-N -1 3 386.320 3.584 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000151015640 834497870 /nfs/dbraw/zinc/49/78/70/834497870.db2.gz XSWVVHBTVOBROC-UHFFFAOYSA-N -1 3 382.338 3.521 20 0 GHADHM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1[O-] ZINC000301997713 834844088 /nfs/dbraw/zinc/84/40/88/834844088.db2.gz JERDWVQCVBELEF-CQSZACIVSA-N -1 3 396.274 3.877 20 0 GHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)ccc1OC ZINC000683175594 834923427 /nfs/dbraw/zinc/92/34/27/834923427.db2.gz XZDXNIYICHQPTD-QGZVFWFLSA-N -1 3 394.265 3.772 20 0 GHADHM O=C([O-])c1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000683175896 834924267 /nfs/dbraw/zinc/92/42/67/834924267.db2.gz CUYJNWQXPAFTLF-UHFFFAOYSA-N -1 3 398.466 3.981 20 0 GHADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OCc1ccncc1 ZINC000683176762 834932089 /nfs/dbraw/zinc/93/20/89/834932089.db2.gz QXOYMFXFRZUBIZ-UHFFFAOYSA-N -1 3 378.428 3.657 20 0 GHADHM C[C@H](c1nc(Cc2ccccc2)no1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000583812009 835074074 /nfs/dbraw/zinc/07/40/74/835074074.db2.gz LTMZYCYRFUXQBL-LZQZEXGQSA-N -1 3 377.444 3.522 20 0 GHADHM O=c1cc(CSc2nnc([N-]c3ccccc3F)s2)nc2ccccn12 ZINC000014755952 835081662 /nfs/dbraw/zinc/08/16/62/835081662.db2.gz ZCYZQRWWIPPGBO-UHFFFAOYSA-N -1 3 385.449 3.721 20 0 GHADHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000109025084 835085693 /nfs/dbraw/zinc/08/56/93/835085693.db2.gz YQGVJKLBCQDYGH-UHFFFAOYSA-N -1 3 394.424 3.744 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)s1 ZINC000172332597 835138665 /nfs/dbraw/zinc/13/86/65/835138665.db2.gz HYWZQAIVJJIAQW-UHFFFAOYSA-N -1 3 375.874 3.525 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000512970115 844037835 /nfs/dbraw/zinc/03/78/35/844037835.db2.gz OBAVWHRMBABXPE-CABCVRRESA-N -1 3 379.503 3.539 20 0 GHADHM O=C(NC1(c2ccccc2Br)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655162154 835323110 /nfs/dbraw/zinc/32/31/10/835323110.db2.gz JVSRURGBNBVROZ-UHFFFAOYSA-N -1 3 388.265 3.631 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(NCCc3cccs3)s2)n1 ZINC000151347607 835387897 /nfs/dbraw/zinc/38/78/97/835387897.db2.gz WCAKFXHJTOALCD-SNVBAGLBSA-N -1 3 379.536 3.912 20 0 GHADHM COC(=O)c1ccnc(-c2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(F)cc2)c1 ZINC000151352136 835393836 /nfs/dbraw/zinc/39/38/36/835393836.db2.gz BDCVTZWXKBLYEK-UHFFFAOYSA-N -1 3 395.415 3.948 20 0 GHADHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]CC(=O)Nc1c(C)cc(C)cc1C ZINC000624797254 835402151 /nfs/dbraw/zinc/40/21/51/835402151.db2.gz PBNQZLAPQIEBBT-UHFFFAOYSA-N -1 3 390.496 3.541 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NS(=O)(=O)C=Cc3ccc(F)cc3)cc2)n1 ZINC000254966902 835424749 /nfs/dbraw/zinc/42/47/49/835424749.db2.gz JQULXMWFHZLHBZ-KHPPLWFESA-N -1 3 385.420 3.709 20 0 GHADHM CCOC(=O)c1sc2[n-]c(CC(=O)c3cccc(C)c3C)nc(=O)c2c1C ZINC000069578831 835509378 /nfs/dbraw/zinc/50/93/78/835509378.db2.gz LUWRAPYWANJGQE-UHFFFAOYSA-N -1 3 384.457 3.512 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000151595391 835577887 /nfs/dbraw/zinc/57/78/87/835577887.db2.gz MOFAFFIVOOFRBA-DGCLKSJQSA-N -1 3 382.204 3.853 20 0 GHADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1cc(Br)ccc1[O-] ZINC000133754111 835579674 /nfs/dbraw/zinc/57/96/74/835579674.db2.gz KFVQWVAHKNBUSC-UHFFFAOYSA-N -1 3 380.242 3.767 20 0 GHADHM O=C(COc1ccc(F)cc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000151619978 835656643 /nfs/dbraw/zinc/65/66/43/835656643.db2.gz YRBDXCCLRFMQSJ-UHFFFAOYSA-N -1 3 388.620 3.642 20 0 GHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(C)c(C)c3)CC2)c1 ZINC000584118731 835658723 /nfs/dbraw/zinc/65/87/23/835658723.db2.gz JAWUPPABGQAUAE-QFIPXVFZSA-N -1 3 399.487 3.990 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(Oc3ccc(C)c(C)c3)CC2)c1 ZINC000584118730 835658852 /nfs/dbraw/zinc/65/88/52/835658852.db2.gz JAWUPPABGQAUAE-JOCHJYFZSA-N -1 3 399.487 3.990 20 0 GHADHM COc1ccc2[nH]cc(CC(=O)NCc3ccc([O-])c(Br)c3)c2c1 ZINC000151634150 835677902 /nfs/dbraw/zinc/67/79/02/835677902.db2.gz BGGCTKGOQQINHE-UHFFFAOYSA-N -1 3 389.249 3.504 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1SCCc2ccccc21 ZINC000151647245 835682477 /nfs/dbraw/zinc/68/24/77/835682477.db2.gz IKFICZCHPOZCIK-INIZCTEOSA-N -1 3 378.291 3.802 20 0 GHADHM COc1ccccc1[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccco1 ZINC000584191133 835748673 /nfs/dbraw/zinc/74/86/73/835748673.db2.gz ICMABDVJELACIK-IBGZPJMESA-N -1 3 393.411 3.775 20 0 GHADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000548885523 835780371 /nfs/dbraw/zinc/78/03/71/835780371.db2.gz HNABEAPJGSOMEJ-SNVBAGLBSA-N -1 3 399.235 3.846 20 0 GHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cn2c(n1)CCCC2 ZINC000442690465 835851596 /nfs/dbraw/zinc/85/15/96/835851596.db2.gz VZZHBWGOWWONCA-UHFFFAOYSA-N -1 3 376.247 3.591 20 0 GHADHM COC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000278715947 835865776 /nfs/dbraw/zinc/86/57/76/835865776.db2.gz GZPIMHSTJVMULJ-UHFFFAOYSA-N -1 3 376.478 3.549 20 0 GHADHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C2CC2)c1 ZINC000584392328 835971420 /nfs/dbraw/zinc/97/14/20/835971420.db2.gz CYIHRXTVZAJJSN-YWZLYKJASA-N -1 3 378.472 3.752 20 0 GHADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4ccnc4)cc3)cc(Cl)c2O1 ZINC000605578725 836037280 /nfs/dbraw/zinc/03/72/80/836037280.db2.gz ZHZJVDRDWXQZNE-GFCCVEGCSA-N -1 3 389.864 3.650 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 ZINC000047454449 836219012 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(c2c(F)cccc2F)CCC1 ZINC000413941582 836868361 /nfs/dbraw/zinc/86/83/61/836868361.db2.gz DSMDUYPBOYEAQZ-UHFFFAOYSA-N -1 3 389.446 3.918 20 0 GHADHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1c(F)cccc1Cl ZINC000175861166 837036422 /nfs/dbraw/zinc/03/64/22/837036422.db2.gz MEDVCEYCWKLWIT-WBMJQRKESA-N -1 3 390.842 3.667 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000120674226 837124941 /nfs/dbraw/zinc/12/49/41/837124941.db2.gz DBPAUDLKDFVHPH-HOTGVXAUSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000120674226 837124949 /nfs/dbraw/zinc/12/49/49/837124949.db2.gz DBPAUDLKDFVHPH-HOTGVXAUSA-N -1 3 387.365 3.552 20 0 GHADHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc2c(cc1SC)OCCO2 ZINC000110111478 844238831 /nfs/dbraw/zinc/23/88/31/844238831.db2.gz NFIQEIJVYHITGY-UHFFFAOYSA-N -1 3 397.456 3.626 20 0 GHADHM CC1(C)CCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000647521559 837158459 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CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000467079650 841317226 /nfs/dbraw/zinc/31/72/26/841317226.db2.gz PHJLSSQOAKMOSE-CQSZACIVSA-N -1 3 377.462 3.760 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1OC(C)C ZINC000599446939 861195202 /nfs/dbraw/zinc/19/52/02/861195202.db2.gz YGHSLPCBEXEWIZ-UHFFFAOYSA-N -1 3 389.452 3.908 20 0 GHADHM CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000027363314 841400913 /nfs/dbraw/zinc/40/09/13/841400913.db2.gz WLJQLCQPAJBKIN-UHFFFAOYSA-N -1 3 393.336 3.600 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(OC(F)F)c3)c2)n1 ZINC000049302082 841498435 /nfs/dbraw/zinc/49/84/35/841498435.db2.gz XSLKNGMKIWBXKL-UHFFFAOYSA-N -1 3 385.370 3.853 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4c(c(Cl)c3)OCO4)c2)n1 ZINC000049302375 841504197 /nfs/dbraw/zinc/50/41/97/841504197.db2.gz XRZYIWQSDVTKJF-UHFFFAOYSA-N -1 3 397.818 3.634 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOc3ccccc3)c2)n1 ZINC000049302973 841506123 /nfs/dbraw/zinc/50/61/23/841506123.db2.gz FZMXCQRRCGJMGF-UHFFFAOYSA-N -1 3 377.444 3.797 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)cc1 ZINC000044846568 841517650 /nfs/dbraw/zinc/51/76/50/841517650.db2.gz PDDBCHZFDRJSFF-UHFFFAOYSA-N -1 3 396.472 3.649 20 0 GHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1)C1CCCCC1 ZINC000656624441 841599340 /nfs/dbraw/zinc/59/93/40/841599340.db2.gz OWMUKRMMOXLECB-SFHVURJKSA-N -1 3 378.494 3.987 20 0 GHADHM CC[C@@H](OCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000651803638 841618295 /nfs/dbraw/zinc/61/82/95/841618295.db2.gz CUEWZYNETQWXSP-CQSZACIVSA-N -1 3 388.411 3.547 20 0 GHADHM O=C([O-])[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H]2CCCC[C@@H]12 ZINC000656762668 841898759 /nfs/dbraw/zinc/89/87/59/841898759.db2.gz BMAHFDCSNZPLKG-GZBFAFLISA-N -1 3 396.281 3.643 20 0 GHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1c(C)noc1C ZINC000119312472 841904400 /nfs/dbraw/zinc/90/44/00/841904400.db2.gz OYHIJDPLLCRXPE-SECBINFHSA-N -1 3 379.301 3.545 20 0 GHADHM Cc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(OCc2ccccc2)c1 ZINC000097206398 842036968 /nfs/dbraw/zinc/03/69/68/842036968.db2.gz WNTBHPRMEYENIA-UHFFFAOYSA-N -1 3 391.471 3.845 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c(C)c1 ZINC000581849903 842293641 /nfs/dbraw/zinc/29/36/41/842293641.db2.gz OEUKSQIZCIPJDF-OALUTQOASA-N -1 3 375.490 3.787 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000730810188 861297302 /nfs/dbraw/zinc/29/73/02/861297302.db2.gz ZCUFHQYZHSEXKP-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C(C)C ZINC000471741546 842322279 /nfs/dbraw/zinc/32/22/79/842322279.db2.gz NQDKYPZFKHZONE-LJQANCHMSA-N -1 3 390.505 3.714 20 0 GHADHM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1cncc(Cl)c1 ZINC000432274223 842468408 /nfs/dbraw/zinc/46/84/08/842468408.db2.gz IJHZTBLYDIWDHA-CQSZACIVSA-N -1 3 378.803 3.750 20 0 GHADHM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000663119961 842514436 /nfs/dbraw/zinc/51/44/36/842514436.db2.gz RCXNLNUFIQTWRU-SFHVURJKSA-N -1 3 386.536 3.623 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cnn(-c2ccccc2)c1 ZINC000471789884 842541545 /nfs/dbraw/zinc/54/15/45/842541545.db2.gz DTGHLJWMLGLKPL-UHFFFAOYSA-N -1 3 385.420 3.545 20 0 GHADHM CCN(C(=O)c1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1Cl)C(C)C ZINC000279062745 842542671 /nfs/dbraw/zinc/54/26/71/842542671.db2.gz ZJSKVVPJCMZRMA-INIZCTEOSA-N -1 3 383.876 3.790 20 0 GHADHM CCN(C(=O)c1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1Cl)C(C)C ZINC000279062745 842542679 /nfs/dbraw/zinc/54/26/79/842542679.db2.gz ZJSKVVPJCMZRMA-INIZCTEOSA-N -1 3 383.876 3.790 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c(Cl)cc1F ZINC000432466932 842592515 /nfs/dbraw/zinc/59/25/15/842592515.db2.gz VKRHIRGUPBAWAF-INIZCTEOSA-N -1 3 398.887 3.974 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])on1 ZINC000652503600 842634481 /nfs/dbraw/zinc/63/44/81/842634481.db2.gz XCAQFESELPOQLB-CVEARBPZSA-N -1 3 396.443 3.567 20 0 GHADHM COC1CC(CC[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000657036759 842660159 /nfs/dbraw/zinc/66/01/59/842660159.db2.gz MXTQBOCBKPCOMC-UHFFFAOYSA-N -1 3 386.926 3.557 20 0 GHADHM COCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000663262125 842936581 /nfs/dbraw/zinc/93/65/81/842936581.db2.gz PQOXHCVHTKIGGQ-QGZVFWFLSA-N -1 3 383.366 3.646 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(OC)c2)cc1C ZINC000663262792 842945855 /nfs/dbraw/zinc/94/58/55/842945855.db2.gz XPNJOBPMHCMVOY-UHFFFAOYSA-N -1 3 387.404 3.805 20 0 GHADHM O=C([O-])[C@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000662221906 842950833 /nfs/dbraw/zinc/95/08/33/842950833.db2.gz GZCZURHIVQJSQD-KRWDZBQOSA-N -1 3 392.377 3.718 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000184913940 842985593 /nfs/dbraw/zinc/98/55/93/842985593.db2.gz CBNSFOPAVOQYNF-CQSZACIVSA-N -1 3 397.500 3.650 20 0 GHADHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC001211691628 843047703 /nfs/dbraw/zinc/04/77/03/843047703.db2.gz NJJKVUDUXKYWND-UHFFFAOYSA-N -1 3 398.297 3.987 20 0 GHADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000186415583 843077406 /nfs/dbraw/zinc/07/74/06/843077406.db2.gz LUWGXWVGNNTFKL-UHFFFAOYSA-N -1 3 383.231 3.505 20 0 GHADHM Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2Br)c([O-])c1 ZINC000186759773 861417061 /nfs/dbraw/zinc/41/70/61/861417061.db2.gz BKCJLUKBBHPGRF-UHFFFAOYSA-N -1 3 398.644 3.583 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1CCC(c2ccccc2)CC1 ZINC000731039245 861425867 /nfs/dbraw/zinc/42/58/67/861425867.db2.gz YUNHHFNAZKGRCI-UHFFFAOYSA-N -1 3 381.929 3.634 20 0 GHADHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(OC)c1 ZINC000657108793 843555600 /nfs/dbraw/zinc/55/56/00/843555600.db2.gz LVLVHQUGXCLDBI-HNNXBMFYSA-N -1 3 390.288 3.668 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000432766135 843742321 /nfs/dbraw/zinc/74/23/21/843742321.db2.gz OHKHDWXCKJDZOB-UHFFFAOYSA-N -1 3 394.880 3.585 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1NC(=O)N(C)C ZINC000279921345 843822464 /nfs/dbraw/zinc/82/24/64/843822464.db2.gz UIFVRJKKAXAQEE-UHFFFAOYSA-N -1 3 391.493 3.677 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Cl)c(CN(C)C)c3)c[n-]c12 ZINC000500747164 843935044 /nfs/dbraw/zinc/93/50/44/843935044.db2.gz CIPKNNDHVJCQRG-UHFFFAOYSA-N -1 3 387.842 3.943 20 0 GHADHM COc1ccc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000509844419 843966652 /nfs/dbraw/zinc/96/66/52/843966652.db2.gz MZGQTMMTKDSNBS-UHFFFAOYSA-N -1 3 378.432 3.530 20 0 GHADHM COc1cc(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000277131159 844714563 /nfs/dbraw/zinc/71/45/63/844714563.db2.gz BPCCMHROIWFMAC-GXTWGEPZSA-N -1 3 386.286 3.677 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cc(Br)cnc3C3CC3)n[n-]2)o1 ZINC000896697478 861490127 /nfs/dbraw/zinc/49/01/27/861490127.db2.gz UAONWTQDGYQGEX-UHFFFAOYSA-N -1 3 388.225 3.660 20 0 GHADHM COc1ccccc1C[C@@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000277139962 844725726 /nfs/dbraw/zinc/72/57/26/844725726.db2.gz CAOVKEYAGXDEES-AWEZNQCLSA-N -1 3 388.514 3.913 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1(F)F ZINC000657159787 844744756 /nfs/dbraw/zinc/74/47/56/844744756.db2.gz LPAVKJLWZLVECK-NSHDSACASA-N -1 3 388.661 3.816 20 0 GHADHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1(F)F ZINC000657159813 844745124 /nfs/dbraw/zinc/74/51/24/844745124.db2.gz LXSPWIGNJRYWSJ-NSHDSACASA-N -1 3 388.661 3.816 20 0 GHADHM CCCCc1nc(NC(=O)[C@H]2CCc3ccc(OC)cc32)c(C(=O)OCC)[n-]1 ZINC000432983699 844849080 /nfs/dbraw/zinc/84/90/80/844849080.db2.gz GTEYWONCIFRTTF-HNNXBMFYSA-N -1 3 385.464 3.606 20 0 GHADHM Cc1oc(C(=O)[N-]c2ccccc2SCC(F)(F)F)cc1S(C)(=O)=O ZINC000623727282 861505688 /nfs/dbraw/zinc/50/56/88/861505688.db2.gz SYOWGINWTNDXAP-UHFFFAOYSA-N -1 3 393.408 3.898 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2cccc(Br)c2)cc1 ZINC001142642491 861540478 /nfs/dbraw/zinc/54/04/78/861540478.db2.gz DNAIVNBOYXFUPO-UHFFFAOYSA-N -1 3 384.176 3.550 20 0 GHADHM Cc1nc(C2([N-]S(=O)(=O)c3cc4cc(Cl)ccc4s3)CCCC2)no1 ZINC000433626692 845126370 /nfs/dbraw/zinc/12/63/70/845126370.db2.gz ZXKUGKXLPDDQMF-UHFFFAOYSA-N -1 3 397.909 3.994 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)c(F)cc1F ZINC000481508673 861541611 /nfs/dbraw/zinc/54/16/11/861541611.db2.gz LNCPEBFTSMGDOV-ZDUSSCGKSA-N -1 3 396.242 3.592 20 0 GHADHM CCOc1ccc(C(C)(C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OCC ZINC000411293661 845211415 /nfs/dbraw/zinc/21/14/15/845211415.db2.gz MCGYIURVKAWPOH-UHFFFAOYSA-N -1 3 384.436 3.778 20 0 GHADHM CN(C)c1nc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cc(=O)[n-]1 ZINC000433691647 845218691 /nfs/dbraw/zinc/21/86/91/845218691.db2.gz VAEYFARAIWKPPY-UHFFFAOYSA-N -1 3 388.349 3.585 20 0 GHADHM CCCN(CCC)C(=O)c1ccc([N-]c2snnc2C(=O)OCC)cc1 ZINC001211765091 845331657 /nfs/dbraw/zinc/33/16/57/845331657.db2.gz CNWNEPVYESQIRE-UHFFFAOYSA-N -1 3 376.482 3.721 20 0 GHADHM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000599727745 861559372 /nfs/dbraw/zinc/55/93/72/861559372.db2.gz IDLKMFVAKLQNMK-UHFFFAOYSA-N -1 3 398.297 3.785 20 0 GHADHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000429852791 845386124 /nfs/dbraw/zinc/38/61/24/845386124.db2.gz PXIDVTNGNPTJBC-UHFFFAOYSA-N -1 3 395.731 3.600 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)sc1Br ZINC000433840108 845474848 /nfs/dbraw/zinc/47/48/48/845474848.db2.gz CDMWPNFGTICJGU-JTQLQIEISA-N -1 3 390.349 3.944 20 0 GHADHM COc1ccccc1C[C@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000277284617 845538669 /nfs/dbraw/zinc/53/86/69/845538669.db2.gz MCDTVMYBHKLFGC-OAHLLOKOSA-N -1 3 388.514 3.913 20 0 GHADHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000611564540 845628941 /nfs/dbraw/zinc/62/89/41/845628941.db2.gz WUYOGOOQAMPDMD-HXUWFJFHSA-N -1 3 397.471 3.687 20 0 GHADHM CC(C)c1nnc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)s1 ZINC000657283274 845670193 /nfs/dbraw/zinc/67/01/93/845670193.db2.gz DMOAMCYFIGHZOB-UHFFFAOYSA-N -1 3 398.517 3.847 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1c(F)cncc1F ZINC000511024445 845699748 /nfs/dbraw/zinc/69/97/48/845699748.db2.gz BZLUPHQNZMBZMT-JTQLQIEISA-N -1 3 381.429 3.523 20 0 GHADHM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000472072779 845707469 /nfs/dbraw/zinc/70/74/69/845707469.db2.gz GPQYOIVZXVYIKS-CQSZACIVSA-N -1 3 380.485 3.751 20 0 GHADHM COC(=O)[C@H](C)Oc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000600329657 861622169 /nfs/dbraw/zinc/62/21/69/861622169.db2.gz FSCAGTSLOGOWPN-LBPRGKRZSA-N -1 3 393.386 3.572 20 0 GHADHM Cn1c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)nc2ccc(Cl)cc21 ZINC000277460167 846222515 /nfs/dbraw/zinc/22/25/15/846222515.db2.gz VMOOVRUQFQPIPU-UHFFFAOYSA-N -1 3 398.894 3.684 20 0 GHADHM COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)[n-]1 ZINC000431353504 846276651 /nfs/dbraw/zinc/27/66/51/846276651.db2.gz WHYRYUNZGOIOJB-UHFFFAOYSA-N -1 3 377.400 3.614 20 0 GHADHM Cc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000280277200 846358297 /nfs/dbraw/zinc/35/82/97/846358297.db2.gz MKBQJCKRVNJYIG-UHFFFAOYSA-N -1 3 382.439 3.736 20 0 GHADHM CCOC(=O)COc1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1 ZINC000481546663 861679982 /nfs/dbraw/zinc/67/99/82/861679982.db2.gz LVVWROMXIYJLLI-UHFFFAOYSA-N -1 3 392.333 3.551 20 0 GHADHM CCC[C@@H]1CCC[C@@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421678861 846480816 /nfs/dbraw/zinc/48/08/16/846480816.db2.gz FAGCPIFSSRTAPA-ZJUUUORDSA-N -1 3 382.224 3.785 20 0 GHADHM CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000179657346 861688027 /nfs/dbraw/zinc/68/80/27/861688027.db2.gz LBCBUUFHIRVGGT-UHFFFAOYSA-N -1 3 392.253 3.694 20 0 GHADHM COCc1ncsc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000582188613 846605414 /nfs/dbraw/zinc/60/54/14/846605414.db2.gz UDGHUMGCKSCDLE-UHFFFAOYSA-N -1 3 383.260 3.661 20 0 GHADHM O=c1cc(CS(=O)(=O)[C@@H]2CCc3c2cc(Cl)cc3Cl)nc(C2CC2)[n-]1 ZINC000414421620 846713925 /nfs/dbraw/zinc/71/39/25/846713925.db2.gz YQDGJRGTMRBVLE-OAHLLOKOSA-N -1 3 399.299 3.969 20 0 GHADHM CC(C)Nc1ccc(Br)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503022564 846716750 /nfs/dbraw/zinc/71/67/50/846716750.db2.gz UCJNLTPGVSCWNE-UHFFFAOYSA-N -1 3 392.232 3.932 20 0 GHADHM O=S(=O)(c1cc(NCc2cc([O-])cc(F)c2)ccc1Cl)N1CCCC1 ZINC000419734626 846755665 /nfs/dbraw/zinc/75/56/65/846755665.db2.gz FBOYAPVVCFNAFX-UHFFFAOYSA-N -1 3 384.860 3.581 20 0 GHADHM Cc1ccc(NC(=O)C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)nc1 ZINC000375687843 846838976 /nfs/dbraw/zinc/83/89/76/846838976.db2.gz CLLNJCONACGORQ-UHFFFAOYSA-N -1 3 389.455 3.740 20 0 GHADHM CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503164672 846882089 /nfs/dbraw/zinc/88/20/89/846882089.db2.gz IEUQVYMRVMMDRL-UHFFFAOYSA-N -1 3 383.427 3.612 20 0 GHADHM O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503183028 846888550 /nfs/dbraw/zinc/88/85/50/846888550.db2.gz WGXJGMPDCFGUMY-UHFFFAOYSA-N -1 3 382.345 3.895 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCO[C@H](C)C3)cc2)cc1 ZINC000272116178 846994883 /nfs/dbraw/zinc/99/48/83/846994883.db2.gz SCDVLNSCGAVLQW-CVEARBPZSA-N -1 3 388.489 3.549 20 0 GHADHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000158148304 847014144 /nfs/dbraw/zinc/01/41/44/847014144.db2.gz RGMNRFDZODPZED-CABZTGNLSA-N -1 3 380.318 3.845 20 0 GHADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCc2c(=O)[n-]cnc2C1 ZINC000273277569 847290835 /nfs/dbraw/zinc/29/08/35/847290835.db2.gz SFXFWPIENUXJPF-UHFFFAOYSA-N -1 3 385.467 3.661 20 0 GHADHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000509961306 847311836 /nfs/dbraw/zinc/31/18/36/847311836.db2.gz QTOZPGPYGTXWGI-CABCVRRESA-N -1 3 397.846 3.842 20 0 GHADHM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc(C)n1 ZINC000420701290 847382990 /nfs/dbraw/zinc/38/29/90/847382990.db2.gz QNSYFEDUABKHIG-UHFFFAOYSA-N -1 3 395.731 3.654 20 0 GHADHM CC(=O)N1CCC[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)C1 ZINC000273769902 847439555 /nfs/dbraw/zinc/43/95/55/847439555.db2.gz CMDMIQBDFBAWBT-KRWDZBQOSA-N -1 3 393.443 3.747 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(N(C)C)cc2F)[nH][n-]1 ZINC000503271124 847538877 /nfs/dbraw/zinc/53/88/77/847538877.db2.gz SQJJUAMFKWNBBE-UHFFFAOYSA-N -1 3 388.830 3.618 20 0 GHADHM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000420999076 847621664 /nfs/dbraw/zinc/62/16/64/847621664.db2.gz BWFSVDQWVLRQRW-ZIAGYGMSSA-N -1 3 397.475 3.881 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cc1 ZINC000513789432 847696504 /nfs/dbraw/zinc/69/65/04/847696504.db2.gz IFLCZDXMRQJGDA-UHFFFAOYSA-N -1 3 385.283 3.742 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000545891503 847704192 /nfs/dbraw/zinc/70/41/92/847704192.db2.gz ZLHDADMVWOCCPA-MRXNPFEDSA-N -1 3 382.507 3.974 20 0 GHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(Br)c1 ZINC000513791821 847771067 /nfs/dbraw/zinc/77/10/67/847771067.db2.gz VNONHUGYCWQTHX-UHFFFAOYSA-N -1 3 399.310 3.988 20 0 GHADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000421154987 847789449 /nfs/dbraw/zinc/78/94/49/847789449.db2.gz NJFFMSVYFKPVIM-VIFPVBQESA-N -1 3 386.258 3.530 20 0 GHADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1)OC ZINC000421168144 847805601 /nfs/dbraw/zinc/80/56/01/847805601.db2.gz XFOZMSOQEQYKNV-GFCCVEGCSA-N -1 3 394.440 3.996 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCOc3ccccc3C(C)C)nc21 ZINC000503614793 847836232 /nfs/dbraw/zinc/83/62/32/847836232.db2.gz YAIROVXNNTVSQJ-UHFFFAOYSA-N -1 3 381.432 3.881 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCc4cccc(F)c4C3)cc2)cc(=O)[n-]1 ZINC000503641233 847855329 /nfs/dbraw/zinc/85/53/29/847855329.db2.gz DIZJEDSGCLVFQH-UHFFFAOYSA-N -1 3 378.407 3.887 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C3CCC3)CC2)cc1OC ZINC000664332198 847887177 /nfs/dbraw/zinc/88/71/77/847887177.db2.gz BXHVUALWBVSQFR-UHFFFAOYSA-N -1 3 395.525 3.501 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)Cc3cc(-c4ccccc4)no3)CCC2)n1 ZINC000673826369 861841080 /nfs/dbraw/zinc/84/10/80/861841080.db2.gz YZSNBDQDICVFIF-UHFFFAOYSA-N -1 3 389.502 3.605 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nn1-c1ccc(C)cc1 ZINC000179958104 861870304 /nfs/dbraw/zinc/87/03/04/861870304.db2.gz VVLOIHWLXRRLBN-UHFFFAOYSA-N -1 3 399.454 3.800 20 0 GHADHM O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc([O-])ccc1Cl ZINC000481624655 861882708 /nfs/dbraw/zinc/88/27/08/861882708.db2.gz LDHRPAPFEUKBBA-GFCCVEGCSA-N -1 3 387.785 3.645 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000548763534 848265683 /nfs/dbraw/zinc/26/56/83/848265683.db2.gz RTCGDCZHDQVYIZ-UHFFFAOYSA-N -1 3 377.473 3.777 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CCCC[C@@H]3CC3CCC3)c(=O)c2c(OC)c1 ZINC000628148531 848268659 /nfs/dbraw/zinc/26/86/59/848268659.db2.gz SAJJPVJJLCCVSF-OAHLLOKOSA-N -1 3 384.476 3.730 20 0 GHADHM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1F ZINC000731782878 861891648 /nfs/dbraw/zinc/89/16/48/861891648.db2.gz HWLSXLTWHLRCFT-CYBMUJFWSA-N -1 3 378.469 3.795 20 0 GHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)cc1 ZINC000731784807 861893097 /nfs/dbraw/zinc/89/30/97/861893097.db2.gz HIPDNJMFAXFGQW-UHFFFAOYSA-N -1 3 376.522 3.913 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])C2)C1 ZINC001142647143 861921638 /nfs/dbraw/zinc/92/16/38/861921638.db2.gz PXULHEBFOMURKI-HXUWFJFHSA-N -1 3 394.899 3.871 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCCS3)no2)ccc1F ZINC000545102481 848719749 /nfs/dbraw/zinc/71/97/49/848719749.db2.gz HIIZKIHQYQDCRU-ZDUSSCGKSA-N -1 3 385.486 3.521 20 0 GHADHM COc1cc(CNC(=O)c2nnc3ccccc3c2[O-])ccc1OCCC(C)C ZINC000731869915 861939713 /nfs/dbraw/zinc/93/97/13/861939713.db2.gz QZFYRQVXICPSPO-UHFFFAOYSA-N -1 3 395.459 3.699 20 0 GHADHM C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)O1 ZINC000582991540 848833709 /nfs/dbraw/zinc/83/37/09/848833709.db2.gz URSIAVHXJGVDSG-KBVBSXBZSA-N -1 3 390.241 3.770 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H]4CCCC[C@H]4C3)cs2)c1 ZINC000180129645 861970218 /nfs/dbraw/zinc/97/02/18/861970218.db2.gz MRDJFECTFTVJRN-GJZGRUSLSA-N -1 3 399.516 3.601 20 0 GHADHM CN(C)C(=C([O-])Nc1nc(-c2ccccc2)ns1)c1c(F)cccc1Cl ZINC000583234146 849397893 /nfs/dbraw/zinc/39/78/93/849397893.db2.gz NNUKKHSIANYYMC-OAHLLOKOSA-N -1 3 390.871 3.661 20 0 GHADHM O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1cc([O-])ccc1Cl ZINC000555858393 862047064 /nfs/dbraw/zinc/04/70/64/862047064.db2.gz HWHOCNRFRNCTIJ-UHFFFAOYSA-N -1 3 395.850 3.934 20 0 GHADHM O=S(=O)([N-]Cc1ccnc(OC2CCCCC2)c1)c1ccc(Cl)s1 ZINC000503944872 849787742 /nfs/dbraw/zinc/78/77/42/849787742.db2.gz JGAMAJJEKRQHBA-UHFFFAOYSA-N -1 3 386.926 3.987 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCC(F)(F)CC1 ZINC000425199511 849790778 /nfs/dbraw/zinc/79/07/78/849790778.db2.gz ZNRXWAQIEJTZDW-UHFFFAOYSA-N -1 3 386.247 3.666 20 0 GHADHM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ns1 ZINC000443863495 862060242 /nfs/dbraw/zinc/06/02/42/862060242.db2.gz XOQLQNMAPDILPG-UHFFFAOYSA-N -1 3 387.486 3.813 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000098129799 849882056 /nfs/dbraw/zinc/88/20/56/849882056.db2.gz SIKLRJIQIOQPLK-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000583442337 849910363 /nfs/dbraw/zinc/91/03/63/849910363.db2.gz ADOJGCHJTQDONT-UHFFFAOYSA-N -1 3 398.297 3.673 20 0 GHADHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccc(Cn2cccn2)o1 ZINC000732085772 862070910 /nfs/dbraw/zinc/07/09/10/862070910.db2.gz SZSQEACMCBAXSB-UHFFFAOYSA-N -1 3 383.458 3.779 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)Cc3cccc(O)c3)cc2)cc(=O)[n-]1 ZINC000504247114 849985169 /nfs/dbraw/zinc/98/51/69/849985169.db2.gz PFNXZZADZIPKOF-CYBMUJFWSA-N -1 3 378.432 3.616 20 0 GHADHM COC(=O)c1ccc(-c2nc([C@H](C)c3ccc(Br)cc3)no2)[n-]1 ZINC000426424047 850107857 /nfs/dbraw/zinc/10/78/57/850107857.db2.gz DYEQWZHIOYECHC-SECBINFHSA-N -1 3 376.210 3.766 20 0 GHADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cnc2ccsc2c1 ZINC000439570379 850132374 /nfs/dbraw/zinc/13/23/74/850132374.db2.gz KLDPSJMRVYYJQD-UHFFFAOYSA-N -1 3 382.850 3.522 20 0 GHADHM CSc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000908620917 850240609 /nfs/dbraw/zinc/24/06/09/850240609.db2.gz PKHRRRQDZKROQW-NRFANRHFSA-N -1 3 399.516 3.649 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c(=O)[n-]1 ZINC000504736750 850265157 /nfs/dbraw/zinc/26/51/57/850265157.db2.gz FLNBIHQRPRJHAO-UHFFFAOYSA-N -1 3 384.823 3.821 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)N(C)C)cc1 ZINC000908755472 850332901 /nfs/dbraw/zinc/33/29/01/850332901.db2.gz YJOITCWIRUPNOR-DYESRHJHSA-N -1 3 397.519 3.709 20 0 GHADHM CCC[C@]1(C(=O)[O-])CCCN1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000908801222 850368021 /nfs/dbraw/zinc/36/80/21/850368021.db2.gz CNKFZACAWZDGDJ-VQIMIIECSA-N -1 3 381.542 3.560 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCS2)cc1 ZINC000443883488 862123627 /nfs/dbraw/zinc/12/36/27/862123627.db2.gz ZDVUKNJDRJZWFR-QGZVFWFLSA-N -1 3 390.530 3.938 20 0 GHADHM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000908858201 850431995 /nfs/dbraw/zinc/43/19/95/850431995.db2.gz YCZWYUFVSJVLJH-NRFANRHFSA-N -1 3 396.487 3.627 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000031721568 850468613 /nfs/dbraw/zinc/46/86/13/850468613.db2.gz JMDGEZGJXQTKLE-UHFFFAOYSA-N -1 3 382.869 3.886 20 0 GHADHM CCCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435432661 850490353 /nfs/dbraw/zinc/49/03/53/850490353.db2.gz OCZOFIBCMZYKSI-UHFFFAOYSA-N -1 3 393.267 3.795 20 0 GHADHM C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000629494864 862138244 /nfs/dbraw/zinc/13/82/44/862138244.db2.gz DZZYODNEPHOLFB-IFIJOSMWSA-N -1 3 399.318 3.700 20 0 GHADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435440674 850529411 /nfs/dbraw/zinc/52/94/11/850529411.db2.gz YTMHUTFFZOPDDH-JGVFFNPUSA-N -1 3 395.287 3.804 20 0 GHADHM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1c(Cl)nc2ccccn21 ZINC000760614481 850544467 /nfs/dbraw/zinc/54/44/67/850544467.db2.gz FJQYRKGXEBFLGD-UHFFFAOYSA-N -1 3 381.807 3.531 20 0 GHADHM NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000519061040 850555851 /nfs/dbraw/zinc/55/58/51/850555851.db2.gz AHGMLDJUIRAWRF-UHFFFAOYSA-N -1 3 397.456 3.557 20 0 GHADHM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000909099836 850571575 /nfs/dbraw/zinc/57/15/75/850571575.db2.gz SBXALFCQDVZLLM-IBWPDUFMSA-N -1 3 382.435 3.774 20 0 GHADHM CCCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1cccc(C)c1 ZINC000505087025 850593568 /nfs/dbraw/zinc/59/35/68/850593568.db2.gz ZLSOESAWONMAKQ-UHFFFAOYSA-N -1 3 378.411 3.796 20 0 GHADHM CCCc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1-c1ccccc1C ZINC000505095883 850602165 /nfs/dbraw/zinc/60/21/65/850602165.db2.gz AWFKZWYOWCFJFM-UHFFFAOYSA-N -1 3 378.411 3.796 20 0 GHADHM O=C(Nc1csc(-c2ccncc2)n1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000505299089 850799015 /nfs/dbraw/zinc/79/90/15/850799015.db2.gz GILKQUUWYPAKQB-UHFFFAOYSA-N -1 3 384.367 3.577 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1cc(Cl)ccc1Cl ZINC000519268591 850826133 /nfs/dbraw/zinc/82/61/33/850826133.db2.gz SIXWAOOMBJUVSJ-UHFFFAOYSA-N -1 3 387.288 3.656 20 0 GHADHM O=S(=O)([N-]C1CCC(O)(c2ccccc2)CC1)c1cccc(Cl)c1F ZINC000760618971 850873342 /nfs/dbraw/zinc/87/33/42/850873342.db2.gz PQNNSFMTRIUZQT-UHFFFAOYSA-N -1 3 383.872 3.588 20 0 GHADHM O=C(NCc1ccc(OCc2ccccc2)cc1)c1nnc2ccccc2c1[O-] ZINC000732269935 862180491 /nfs/dbraw/zinc/18/04/91/862180491.db2.gz XHLNKHWKDKQWFD-UHFFFAOYSA-N -1 3 385.423 3.844 20 0 GHADHM O=C(Nc1cccc(CNC(=O)c2nnc3ccccc3c2[O-])c1)c1ccccc1 ZINC000732269152 862180763 /nfs/dbraw/zinc/18/07/63/862180763.db2.gz CPCQKFMIRGCALJ-UHFFFAOYSA-N -1 3 398.422 3.518 20 0 GHADHM O=c1cc(C[S@](=O)Cc2csc(-c3ccccc3F)n2)nc(C2CC2)[n-]1 ZINC000519357748 850949376 /nfs/dbraw/zinc/94/93/76/850949376.db2.gz PSORJERFFPGKDH-SANMLTNESA-N -1 3 389.477 3.771 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(C2SCCCS2)cc1 ZINC000910041859 850973777 /nfs/dbraw/zinc/97/37/77/850973777.db2.gz WJECOCNFCUOLGW-UHFFFAOYSA-N -1 3 397.529 3.912 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(C2SCCCS2)cc1 ZINC000910041859 850973784 /nfs/dbraw/zinc/97/37/84/850973784.db2.gz WJECOCNFCUOLGW-UHFFFAOYSA-N -1 3 397.529 3.912 20 0 GHADHM COc1cc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cc(OC)c1[O-] ZINC000513965357 851079896 /nfs/dbraw/zinc/07/98/96/851079896.db2.gz XPUCKJGLNXNKFQ-FOIQADDNSA-N -1 3 385.460 3.628 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)C[C@@H]2F)cc1 ZINC000425444968 851106364 /nfs/dbraw/zinc/10/63/64/851106364.db2.gz CKSOCZDFMHTMMN-LPHOPBHVSA-N -1 3 376.453 3.791 20 0 GHADHM Cc1noc(C2CCC([N-]S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1 ZINC000440375894 851115816 /nfs/dbraw/zinc/11/58/16/851115816.db2.gz DYNVNZNVBZTBSQ-UHFFFAOYSA-N -1 3 390.292 3.690 20 0 GHADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000436029058 851116750 /nfs/dbraw/zinc/11/67/50/851116750.db2.gz QWSXKRKPKISVKI-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM CC(C)c1ccc(CN2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000519481559 851117253 /nfs/dbraw/zinc/11/72/53/851117253.db2.gz OKVGCJOEZPSONN-UHFFFAOYSA-N -1 3 385.483 3.682 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@](C)(c4cccc(OC)c4)C3)nc2)n1 ZINC000664420477 851147103 /nfs/dbraw/zinc/14/71/03/851147103.db2.gz BKQFBFFDPMSHNC-QHCPKHFHSA-N -1 3 390.487 3.983 20 0 GHADHM COc1cc(C(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)cc(OC)c1[O-] ZINC000488120252 851185420 /nfs/dbraw/zinc/18/54/20/851185420.db2.gz LJNLPZJVBUSFJP-UHFFFAOYSA-N -1 3 398.390 3.666 20 0 GHADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCc1cnc(C)[n-]c1=O ZINC000436117488 851222442 /nfs/dbraw/zinc/22/24/42/851222442.db2.gz XQDLHYALHPKKFB-UHFFFAOYSA-N -1 3 393.230 3.691 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c(C)o1 ZINC000436157777 851271272 /nfs/dbraw/zinc/27/12/72/851271272.db2.gz ZWCJBHWEZFNMAM-UHFFFAOYSA-N -1 3 387.841 3.616 20 0 GHADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000436158098 851271511 /nfs/dbraw/zinc/27/15/11/851271511.db2.gz VVVMEFJNHJQJTN-UHFFFAOYSA-N -1 3 387.379 3.592 20 0 GHADHM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncccc2[O-])c1 ZINC000473644037 851349243 /nfs/dbraw/zinc/34/92/43/851349243.db2.gz QHUOHNUWHXDASY-UHFFFAOYSA-N -1 3 384.439 3.878 20 0 GHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000434633534 851367332 /nfs/dbraw/zinc/36/73/32/851367332.db2.gz ITGARTMIQWOXTM-UHFFFAOYSA-N -1 3 382.869 3.725 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000515697426 851372196 /nfs/dbraw/zinc/37/21/96/851372196.db2.gz PXBAWAGOKKSUMN-UHFFFAOYSA-N -1 3 383.853 3.701 20 0 GHADHM O=C(NCc1ncccc1[O-])c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000473645523 851377767 /nfs/dbraw/zinc/37/77/67/851377767.db2.gz XSSBAZZHLABVPT-UHFFFAOYSA-N -1 3 396.756 3.575 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436358371 851500044 /nfs/dbraw/zinc/50/00/44/851500044.db2.gz AFFQUFXCXPZWLW-UHFFFAOYSA-N -1 3 387.365 3.847 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436358371 851500048 /nfs/dbraw/zinc/50/00/48/851500048.db2.gz AFFQUFXCXPZWLW-UHFFFAOYSA-N -1 3 387.365 3.847 20 0 GHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000436440467 851624753 /nfs/dbraw/zinc/62/47/53/851624753.db2.gz XIXMHRAOMXWFQQ-UHFFFAOYSA-N -1 3 385.252 3.541 20 0 GHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000436440467 851624758 /nfs/dbraw/zinc/62/47/58/851624758.db2.gz XIXMHRAOMXWFQQ-UHFFFAOYSA-N -1 3 385.252 3.541 20 0 GHADHM CC1CCN([C@@H](CNC(=O)c2ccccc2CCC(=O)[O-])c2ccccc2)CC1 ZINC000911248756 851645441 /nfs/dbraw/zinc/64/54/41/851645441.db2.gz SNSOLRJJPJGNLT-QFIPXVFZSA-N -1 3 394.515 3.907 20 0 GHADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(Br)c1 ZINC000101534794 851648160 /nfs/dbraw/zinc/64/81/60/851648160.db2.gz MEWANLFMQIAVMI-UHFFFAOYSA-N -1 3 399.288 3.998 20 0 GHADHM COCc1c2ccccc2oc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488661900 851691281 /nfs/dbraw/zinc/69/12/81/851691281.db2.gz WMDVZNASSZVWHA-UHFFFAOYSA-N -1 3 390.233 3.977 20 0 GHADHM [O-]c1cc(Br)cnc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000894549560 851693356 /nfs/dbraw/zinc/69/33/56/851693356.db2.gz QSJJKPMMVQDTLV-GOSISDBHSA-N -1 3 389.293 3.734 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)CC2)CC1 ZINC000911502099 851762564 /nfs/dbraw/zinc/76/25/64/851762564.db2.gz NNUXPWJPOXMVMN-UHFFFAOYSA-N -1 3 378.557 3.771 20 0 GHADHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000911534246 851767725 /nfs/dbraw/zinc/76/77/25/851767725.db2.gz NQLOFIOKNZYNKV-HNNXBMFYSA-N -1 3 386.879 3.632 20 0 GHADHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000488933508 851871858 /nfs/dbraw/zinc/87/18/58/851871858.db2.gz CKRNVBFYQIVXMA-UHFFFAOYSA-N -1 3 391.386 3.764 20 0 GHADHM O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(O)cc1[O-] ZINC000436503829 851985086 /nfs/dbraw/zinc/98/50/86/851985086.db2.gz NKZHRWMDRPVRJD-IBGZPJMESA-N -1 3 391.402 3.758 20 0 GHADHM C[C@H](c1cccc(Br)c1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000517531616 852081391 /nfs/dbraw/zinc/08/13/91/852081391.db2.gz DRGCNKSMZXRCBF-STFLBKPXSA-N -1 3 381.295 3.832 20 0 GHADHM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)cc1[O-] ZINC000436599885 852085472 /nfs/dbraw/zinc/08/54/72/852085472.db2.gz DUURJXCEXTZQNA-UTKZUKDTSA-N -1 3 381.520 3.777 20 0 GHADHM Cc1nc(-c2ccc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)s2)cs1 ZINC000517557196 852094157 /nfs/dbraw/zinc/09/41/57/852094157.db2.gz LCBABFWNYSMLQX-UHFFFAOYSA-N -1 3 381.482 3.952 20 0 GHADHM CCc1n[nH]c(=O)c(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1CC ZINC000436587904 852095641 /nfs/dbraw/zinc/09/56/41/852095641.db2.gz XRTJVHJCTHTJAB-UHFFFAOYSA-N -1 3 393.443 3.735 20 0 GHADHM COc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c([O-])c1 ZINC000436588773 852096428 /nfs/dbraw/zinc/09/64/28/852096428.db2.gz UULWUZDUSQDXPW-UHFFFAOYSA-N -1 3 394.402 3.722 20 0 GHADHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436605009 852104219 /nfs/dbraw/zinc/10/42/19/852104219.db2.gz PEVHMFFRRSQHOM-IBGZPJMESA-N -1 3 386.451 3.839 20 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GHADHM O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC000436735982 852252875 /nfs/dbraw/zinc/25/28/75/852252875.db2.gz FDJJFSHLJFXUCN-UHFFFAOYSA-N -1 3 388.427 3.511 20 0 GHADHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000436757374 852277021 /nfs/dbraw/zinc/27/70/21/852277021.db2.gz SVUTZKFPLGJVGB-UHFFFAOYSA-N -1 3 381.476 3.942 20 0 GHADHM CS(=O)(=O)Nc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436760207 852279330 /nfs/dbraw/zinc/27/93/30/852279330.db2.gz NTKKHEHMPRBKAE-UHFFFAOYSA-N -1 3 398.440 3.808 20 0 GHADHM Cc1cccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1[O-] ZINC000436752969 852296351 /nfs/dbraw/zinc/29/63/51/852296351.db2.gz UIHUZVUZTZUMCH-UHFFFAOYSA-N -1 3 396.468 3.895 20 0 GHADHM CCC(CC)N(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436772232 852304410 /nfs/dbraw/zinc/30/44/10/852304410.db2.gz JHTLDKFGBQODTG-UHFFFAOYSA-N -1 3 389.521 3.989 20 0 GHADHM CC(C)c1ccc(SCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436775823 852309413 /nfs/dbraw/zinc/30/94/13/852309413.db2.gz RSFRKNUZWYTIET-UHFFFAOYSA-N -1 3 398.528 3.592 20 0 GHADHM C[C@@H](CC(F)(F)F)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436799079 852355764 /nfs/dbraw/zinc/35/57/64/852355764.db2.gz BICJRJRHCBQALQ-GUYCJALGSA-N -1 3 394.393 3.711 20 0 GHADHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436806488 852366269 /nfs/dbraw/zinc/36/62/69/852366269.db2.gz HVAQTOSOHWPOHU-UHFFFAOYSA-N -1 3 386.801 3.667 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1c([O-])cccc1O ZINC000436827621 852377108 /nfs/dbraw/zinc/37/71/08/852377108.db2.gz UNSVCYODBVCDGK-CQSZACIVSA-N -1 3 380.469 3.757 20 0 GHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c([O-])c1 ZINC000436829608 852379066 /nfs/dbraw/zinc/37/90/66/852379066.db2.gz SQJDVORBUYONRK-GOSISDBHSA-N -1 3 377.387 3.770 20 0 GHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Oc3cnccn3)cc2)c1 ZINC000426776578 852382598 /nfs/dbraw/zinc/38/25/98/852382598.db2.gz YZCRJWKFSCCRKU-LJQANCHMSA-N -1 3 379.416 3.583 20 0 GHADHM CCc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c([O-])c1 ZINC000436833435 852384725 /nfs/dbraw/zinc/38/47/25/852384725.db2.gz LOQZIGRUGZPZCR-UHFFFAOYSA-N -1 3 375.428 3.532 20 0 GHADHM CN(CC(=O)Nc1ccccc1Br)Cc1c(F)ccc([O-])c1F ZINC000506979275 852394968 /nfs/dbraw/zinc/39/49/68/852394968.db2.gz QAEYOFGYOOZCIC-UHFFFAOYSA-N -1 3 385.208 3.503 20 0 GHADHM Cc1nc(-c2ccccc2)sc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436846911 852412013 /nfs/dbraw/zinc/41/20/13/852412013.db2.gz ZDBPVBNIHIEWEC-UHFFFAOYSA-N -1 3 395.484 3.891 20 0 GHADHM O=S(=O)([N-]CCCO[C@@H]1CCCc2ccccc21)c1ccc(F)cc1F ZINC000506243090 852438268 /nfs/dbraw/zinc/43/82/68/852438268.db2.gz WVYPZVKCPRALSZ-GOSISDBHSA-N -1 3 381.444 3.727 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1[O-] ZINC000436895129 852446176 /nfs/dbraw/zinc/44/61/76/852446176.db2.gz VQAPPWFBUYOFDI-UHFFFAOYSA-N -1 3 388.423 3.856 20 0 GHADHM CC(C)c1ccc(/C=C\CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436887937 852460241 /nfs/dbraw/zinc/46/02/41/852460241.db2.gz RSDLHOILOOCDHO-WAYWQWQTSA-N -1 3 392.499 3.904 20 0 GHADHM COc1cccc(-c2nc(-c3ccc(OC[C@@H]4CCCO4)c(OC)c3)no2)c1[O-] ZINC000436902938 852467571 /nfs/dbraw/zinc/46/75/71/852467571.db2.gz RWKDDUWSSGXJNR-AWEZNQCLSA-N -1 3 398.415 3.684 20 0 GHADHM CCC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000436910904 852476889 /nfs/dbraw/zinc/47/68/89/852476889.db2.gz OZSVTIKMIUPAQP-OAQYLSRUSA-N -1 3 380.488 3.902 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000436898133 852483935 /nfs/dbraw/zinc/48/39/35/852483935.db2.gz FEFUYLLYZWOXQV-KRWDZBQOSA-N -1 3 379.416 3.905 20 0 GHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC000436930547 852489766 /nfs/dbraw/zinc/48/97/66/852489766.db2.gz HGXHDFFFGSJBGV-UHFFFAOYSA-N -1 3 387.435 3.997 20 0 GHADHM C[C@@H]1CCC[C@H](NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000436913747 852490555 /nfs/dbraw/zinc/49/05/55/852490555.db2.gz JTLWVVRAFBCDDD-LKUPVBHCSA-N -1 3 380.488 3.948 20 0 GHADHM CCc1csc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000436926918 852508150 /nfs/dbraw/zinc/50/81/50/852508150.db2.gz OWWVFBCXZDZOBR-GOSISDBHSA-N -1 3 395.484 3.911 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1F ZINC000031878095 852518402 /nfs/dbraw/zinc/51/84/02/852518402.db2.gz YPTMFYOUNWBYJW-UHFFFAOYSA-N -1 3 399.513 3.519 20 0 GHADHM CCCCOc1cc(OCCC)ccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473852030 852527981 /nfs/dbraw/zinc/52/79/81/852527981.db2.gz AOAWTPDXSLYQDN-SFHVURJKSA-N -1 3 387.480 3.903 20 0 GHADHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1occc1-c1ccccc1 ZINC000436949128 852530648 /nfs/dbraw/zinc/53/06/48/852530648.db2.gz XOCBRAWYFILKLY-UHFFFAOYSA-N -1 3 390.439 3.687 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1C ZINC000436962834 852534592 /nfs/dbraw/zinc/53/45/92/852534592.db2.gz XZYLOGXYYPQPFV-UHFFFAOYSA-N -1 3 388.489 3.593 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCCC[C@H]2C)c1 ZINC000436961272 852550882 /nfs/dbraw/zinc/55/08/82/852550882.db2.gz GRDMIQHDZPOYLH-HIFRSBDPSA-N -1 3 385.464 3.887 20 0 GHADHM CCCCOc1ccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)c([O-])c1 ZINC000436971529 852554961 /nfs/dbraw/zinc/55/49/61/852554961.db2.gz KIFNMILJTYPYDJ-UHFFFAOYSA-N -1 3 391.471 3.955 20 0 GHADHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c1 ZINC000489773413 852577869 /nfs/dbraw/zinc/57/78/69/852577869.db2.gz VTIDHOWASZMDGF-UHFFFAOYSA-N -1 3 379.787 3.846 20 0 GHADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000437005669 852602582 /nfs/dbraw/zinc/60/25/82/852602582.db2.gz WFPZPMASSNBCBI-CQSZACIVSA-N -1 3 391.265 3.577 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000473852765 852610275 /nfs/dbraw/zinc/61/02/75/852610275.db2.gz UYOKESFSRGTZTC-QGZVFWFLSA-N -1 3 384.823 3.776 20 0 GHADHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccc(C)cc1 ZINC000031883262 852610319 /nfs/dbraw/zinc/61/03/19/852610319.db2.gz XPQTZWGQUNILQW-GOSISDBHSA-N -1 3 392.496 3.702 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427088857 852715672 /nfs/dbraw/zinc/71/56/72/852715672.db2.gz VTSCDEOYNJVXHY-SFHVURJKSA-N -1 3 379.464 3.710 20 0 GHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427088857 852715678 /nfs/dbraw/zinc/71/56/78/852715678.db2.gz VTSCDEOYNJVXHY-SFHVURJKSA-N -1 3 379.464 3.710 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)ccc2Cl)CCCCC1 ZINC000427117017 852747551 /nfs/dbraw/zinc/74/75/51/852747551.db2.gz XZRZPTCLGYXUQA-UHFFFAOYSA-N -1 3 380.293 3.859 20 0 GHADHM COc1cc(C(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)cc(OC)c1[O-] ZINC000506331127 852752312 /nfs/dbraw/zinc/75/23/12/852752312.db2.gz XGMHAYRMAGZYHC-HXUWFJFHSA-N -1 3 377.387 3.568 20 0 GHADHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)CCCCC1 ZINC000427281594 852931958 /nfs/dbraw/zinc/93/19/58/852931958.db2.gz QBDULZDQGXGVOS-UHFFFAOYSA-N -1 3 392.477 3.515 20 0 GHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)c1C ZINC000427351198 853015600 /nfs/dbraw/zinc/01/56/00/853015600.db2.gz YEVZUQNEDPIFOG-UHFFFAOYSA-N -1 3 384.501 3.881 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(-n3cccn3)c2)nc1-c1ccccc1 ZINC000490455329 853018273 /nfs/dbraw/zinc/01/82/73/853018273.db2.gz WOVVAOQMGJIGNJ-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2cccc(-n3cccn3)c2)[n-]c1-c1ccccc1 ZINC000490455329 853018283 /nfs/dbraw/zinc/01/82/83/853018283.db2.gz WOVVAOQMGJIGNJ-UHFFFAOYSA-N -1 3 378.457 3.545 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)c2s[n-]c(=O)c2Cl)N(C)C)cc1 ZINC000490489388 853039756 /nfs/dbraw/zinc/03/97/56/853039756.db2.gz XJWYAGAAKCGUIA-CQSZACIVSA-N -1 3 381.929 3.733 20 0 GHADHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507564414 853056164 /nfs/dbraw/zinc/05/61/64/853056164.db2.gz IBFCNIXDIHMFDP-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000518214745 853079126 /nfs/dbraw/zinc/07/91/26/853079126.db2.gz ZXUQKCWCQSGOFK-UHFFFAOYSA-N -1 3 377.366 3.888 20 0 GHADHM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](N2CCOCC2)CC1 ZINC000670443910 862431796 /nfs/dbraw/zinc/43/17/96/862431796.db2.gz UWWKBWVTGMZOAL-HNNXBMFYSA-N -1 3 388.895 3.526 20 0 GHADHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000490666763 853169371 /nfs/dbraw/zinc/16/93/71/853169371.db2.gz BCJHNGUVTLNZMR-NSHDSACASA-N -1 3 386.249 3.915 20 0 GHADHM CC[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1 ZINC000913299916 853210715 /nfs/dbraw/zinc/21/07/15/853210715.db2.gz VFVTUCMOZVNXGT-AWEZNQCLSA-N -1 3 387.823 3.747 20 0 GHADHM CC[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1 ZINC000913299916 853210722 /nfs/dbraw/zinc/21/07/22/853210722.db2.gz VFVTUCMOZVNXGT-AWEZNQCLSA-N -1 3 387.823 3.747 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)N(Cc1ccco1)c1ccccc1 ZINC000913301909 853212035 /nfs/dbraw/zinc/21/20/35/853212035.db2.gz GGNAVCSUCUDJGP-UHFFFAOYSA-N -1 3 391.383 3.653 20 0 GHADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)N(Cc1ccco1)c1ccccc1 ZINC000913301909 853212044 /nfs/dbraw/zinc/21/20/44/853212044.db2.gz GGNAVCSUCUDJGP-UHFFFAOYSA-N -1 3 391.383 3.653 20 0 GHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000439061207 853228043 /nfs/dbraw/zinc/22/80/43/853228043.db2.gz RWGZSFSCSVAXPO-OAHLLOKOSA-N -1 3 386.451 3.969 20 0 GHADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000164487262 853241472 /nfs/dbraw/zinc/24/14/72/853241472.db2.gz MAWSXDGGZIBUTL-UHFFFAOYSA-N -1 3 377.444 3.670 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000437539782 853242229 /nfs/dbraw/zinc/24/22/29/853242229.db2.gz UQHDCSJSRVRVLG-SHTZXODSSA-N -1 3 375.266 3.900 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@H]3c3ccccc3)nc(=O)c2c1C ZINC000437577270 853286554 /nfs/dbraw/zinc/28/65/54/853286554.db2.gz HPRGNGMHYAYXPH-UKRRQHHQSA-N -1 3 397.500 3.978 20 0 GHADHM COc1ccccc1-n1c(NC(=O)c2cccc3n[n-]nc32)nc2ccccc21 ZINC000517069199 853329108 /nfs/dbraw/zinc/32/91/08/853329108.db2.gz TZYNRQOECNWGPI-UHFFFAOYSA-N -1 3 384.399 3.558 20 0 GHADHM CCc1nccn1[C@H]1CCCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)C1 ZINC000518521486 853465121 /nfs/dbraw/zinc/46/51/21/853465121.db2.gz COHDIWBZKWDLLO-MJGOQNOKSA-N -1 3 376.508 3.672 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(c2ncnc3sc4ccccc4c32)CC1 ZINC000440644461 853489243 /nfs/dbraw/zinc/48/92/43/853489243.db2.gz HTXHGPJNTPTEIF-UHFFFAOYSA-N -1 3 390.468 3.513 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)c2cccc3cccc(Br)c32)[n-]1 ZINC000586811766 853539921 /nfs/dbraw/zinc/53/99/21/853539921.db2.gz IKDBHQYSOOBJPB-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1nc(NC(=O)c2cccc3cccc(Br)c32)c[n-]1 ZINC000586811766 853539925 /nfs/dbraw/zinc/53/99/25/853539925.db2.gz IKDBHQYSOOBJPB-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM Cc1sc(Br)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000440727228 853554817 /nfs/dbraw/zinc/55/48/17/853554817.db2.gz OHVUVNQAFMCVFU-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1sc(Br)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000440727228 853554824 /nfs/dbraw/zinc/55/48/24/853554824.db2.gz OHVUVNQAFMCVFU-UHFFFAOYSA-N -1 3 378.255 3.560 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)nnn1-c1ccc(C)cc1 ZINC000614534327 853571753 /nfs/dbraw/zinc/57/17/53/853571753.db2.gz VLRNURGFAKWUFJ-UHFFFAOYSA-N -1 3 376.445 3.655 20 0 GHADHM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000518628076 853582564 /nfs/dbraw/zinc/58/25/64/853582564.db2.gz CUHSTRMOSFNNJG-IBGZPJMESA-N -1 3 377.440 3.840 20 0 GHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000437855819 853607505 /nfs/dbraw/zinc/60/75/05/853607505.db2.gz ZSSDHRCGMISMTB-RHSMWYFYSA-N -1 3 397.541 3.889 20 0 GHADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccccc1CSC ZINC000600651297 862499286 /nfs/dbraw/zinc/49/92/86/862499286.db2.gz GMERTSXBTDIYSX-KRWDZBQOSA-N -1 3 383.510 3.688 20 0 GHADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CCC(C)C)cc3)ccc21 ZINC000520141380 853878050 /nfs/dbraw/zinc/87/80/50/853878050.db2.gz YVDZJMQBVMRHSG-UHFFFAOYSA-N -1 3 386.517 3.985 20 0 GHADHM COc1ccc2c(c1)[C@H](C(=O)Oc1cccc(-c3nc(C)cc(=O)[n-]3)c1)CC2 ZINC000763989920 862523844 /nfs/dbraw/zinc/52/38/44/862523844.db2.gz WAJKHQYRBOWCGW-GOSISDBHSA-N -1 3 376.412 3.802 20 0 GHADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000112496638 854233957 /nfs/dbraw/zinc/23/39/57/854233957.db2.gz HVJSMBQXFSWLJZ-UHFFFAOYSA-N -1 3 385.420 3.582 20 0 GHADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112638830 854281145 /nfs/dbraw/zinc/28/11/45/854281145.db2.gz AQLFUJZQXHLBCK-JEOXALJRSA-N -1 3 397.272 3.954 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccn(C)n2)c2ccc(F)cc2)sc1Cl ZINC000473951213 854395823 /nfs/dbraw/zinc/39/58/23/854395823.db2.gz ZVODVPWTTWGFDJ-OAHLLOKOSA-N -1 3 399.900 3.650 20 0 GHADHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000729490494 854397359 /nfs/dbraw/zinc/39/73/59/854397359.db2.gz IWSQMTOBJDADQV-UHFFFAOYSA-N -1 3 394.349 3.663 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncnc4c3CCC4)cc2)cc1 ZINC000588780757 854416181 /nfs/dbraw/zinc/41/61/81/854416181.db2.gz WYPLPJTVQFFASW-UHFFFAOYSA-N -1 3 381.457 3.867 20 0 GHADHM Cc1cc(Br)cc2c(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)coc21 ZINC000572216099 854442838 /nfs/dbraw/zinc/44/28/38/854442838.db2.gz IEYCOJAEGCBWCS-AWEZNQCLSA-N -1 3 390.237 3.753 20 0 GHADHM Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)o1 ZINC000604893974 862574759 /nfs/dbraw/zinc/57/47/59/862574759.db2.gz PRUGXBBDHPYICL-GOSISDBHSA-N -1 3 394.431 3.664 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)cc1OC ZINC000068632463 854602437 /nfs/dbraw/zinc/60/24/37/854602437.db2.gz HGJIQGHTMFETTI-AWEZNQCLSA-N -1 3 391.493 3.648 20 0 GHADHM NC(=O)c1cnc(Sc2nnc([N-]c3ccccc3F)s2)c(Cl)c1 ZINC000068659853 854605046 /nfs/dbraw/zinc/60/50/46/854605046.db2.gz KBADGUZJINERJN-UHFFFAOYSA-N -1 3 381.845 3.719 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Cc4cccc(F)c4)CC3)nc2)n1 ZINC000068668004 854609039 /nfs/dbraw/zinc/60/90/39/854609039.db2.gz WLECDJRXMGWDNE-UHFFFAOYSA-N -1 3 392.478 3.993 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)c3ccc4ccccc4c3)nc2)n1 ZINC000068703885 854613046 /nfs/dbraw/zinc/61/30/46/854613046.db2.gz STWQRXGJSSATTA-FQEVSTJZSA-N -1 3 386.455 3.693 20 0 GHADHM COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Br)cc1[O-] ZINC000589102526 854668532 /nfs/dbraw/zinc/66/85/32/854668532.db2.gz XNUGCAPIJIWDKZ-UHFFFAOYSA-N -1 3 385.645 3.867 20 0 GHADHM Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000589125912 854703736 /nfs/dbraw/zinc/70/37/36/854703736.db2.gz OFDQNRZMBSVKIB-UHFFFAOYSA-N -1 3 387.436 3.540 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCCOc3c(C)cccc3C)[n-]c(=O)c12 ZINC000070766231 854713938 /nfs/dbraw/zinc/71/39/38/854713938.db2.gz HAXGCVNMZSPMQL-UHFFFAOYSA-N -1 3 399.472 3.613 20 0 GHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112631405 854764108 /nfs/dbraw/zinc/76/41/08/854764108.db2.gz DYSFOYZVICCTER-CJNGLKHVSA-N -1 3 383.245 3.577 20 0 GHADHM COc1cc2[n-]cc(C(=O)N(CC3CCCCC3)C3CC3)c(=O)c2c(OC)c1 ZINC000624441265 854805352 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GHADHM O=C(Nc1cc(F)ccc1Cl)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000590340229 855367258 /nfs/dbraw/zinc/36/72/58/855367258.db2.gz WDLKBJQDRAFOJH-UHFFFAOYSA-N -1 3 391.830 3.611 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@H]1C ZINC000542678689 855406794 /nfs/dbraw/zinc/40/67/94/855406794.db2.gz CAIQFYFTTBCSFD-MGPQQGTHSA-N -1 3 393.484 3.509 20 0 GHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(F)cc1I ZINC000417541903 855535576 /nfs/dbraw/zinc/53/55/76/855535576.db2.gz ZEEQUTOLEZUMAU-WDEREUQCSA-N -1 3 393.240 3.799 20 0 GHADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1Br ZINC000181658650 855574976 /nfs/dbraw/zinc/57/49/76/855574976.db2.gz RBFJRFPVZJWQPH-UHFFFAOYSA-N -1 3 386.315 3.719 20 0 GHADHM O=C(NCCOc1ccc(Cl)cc1)NCc1ccc([O-])c(Br)c1 ZINC000482103773 862706400 /nfs/dbraw/zinc/70/64/00/862706400.db2.gz WQNSCDBSTBOFCB-UHFFFAOYSA-N -1 3 399.672 3.686 20 0 GHADHM CC(=O)c1cccc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)c1[O-] ZINC000573003338 855685057 /nfs/dbraw/zinc/68/50/57/855685057.db2.gz KVHMORMFWRARCI-UHFFFAOYSA-N -1 3 382.460 3.965 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)c1Cl ZINC000614597884 855708632 /nfs/dbraw/zinc/70/86/32/855708632.db2.gz BYWPNHBDYBBYKF-OAHLLOKOSA-N -1 3 399.343 3.855 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000591045933 855736546 /nfs/dbraw/zinc/73/65/46/855736546.db2.gz OMHFXMMAKYJFSI-UHFFFAOYSA-N -1 3 381.457 3.697 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000482110964 862714367 /nfs/dbraw/zinc/71/43/67/862714367.db2.gz PZCVBENZCDAFDK-UHFFFAOYSA-N -1 3 398.776 3.591 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000482110964 862714376 /nfs/dbraw/zinc/71/43/76/862714376.db2.gz PZCVBENZCDAFDK-UHFFFAOYSA-N -1 3 398.776 3.591 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417637118 855771467 /nfs/dbraw/zinc/77/14/67/855771467.db2.gz YSCGIFYQNJFCGX-AWEZNQCLSA-N -1 3 383.414 3.913 20 0 GHADHM O=C(NCc1cccc(OCc2ccccc2)c1)N[N-]C(=O)c1ccccc1F ZINC000045811582 856033803 /nfs/dbraw/zinc/03/38/03/856033803.db2.gz LUEDTDFAWSPPRJ-UHFFFAOYSA-N -1 3 393.418 3.549 20 0 GHADHM CC1=C[C@H](C)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000573309664 856070555 /nfs/dbraw/zinc/07/05/55/856070555.db2.gz DSSASBUGOAJMGA-HRAATJIYSA-N -1 3 378.472 3.678 20 0 GHADHM Cn1cc(Nc2cccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)c2)cn1 ZINC000485126388 856125115 /nfs/dbraw/zinc/12/51/15/856125115.db2.gz RFVBDADZAOKVKQ-UHFFFAOYSA-N -1 3 399.414 3.947 20 0 GHADHM Cn1cc(Nc2cccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2)cn1 ZINC000485126388 856125123 /nfs/dbraw/zinc/12/51/23/856125123.db2.gz RFVBDADZAOKVKQ-UHFFFAOYSA-N -1 3 399.414 3.947 20 0 GHADHM COc1ccc(OC)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000905068419 856152450 /nfs/dbraw/zinc/15/24/50/856152450.db2.gz BRSXDJQJEORNTA-UHFFFAOYSA-N -1 3 379.438 3.760 20 0 GHADHM CCC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000280921720 862764942 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O=C(N=c1cc2ccc(Br)cn2[n-]1)N1CCC[C@@H]1C1CCCC1 ZINC000482196607 862794542 /nfs/dbraw/zinc/79/45/42/862794542.db2.gz BGMKEIGEROIYMI-OAHLLOKOSA-N -1 3 377.286 3.705 20 0 GHADHM COc1ccc(Cl)cc1NC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000507820147 856422917 /nfs/dbraw/zinc/42/29/17/856422917.db2.gz WOKJBOMYUSZOHW-UHFFFAOYSA-N -1 3 376.771 3.590 20 0 GHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000485392388 856434995 /nfs/dbraw/zinc/43/49/95/856434995.db2.gz GLKPRPGTJXXJND-GOSISDBHSA-N -1 3 379.453 3.801 20 0 GHADHM O=C(C[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1 ZINC000485405370 856463500 /nfs/dbraw/zinc/46/35/00/856463500.db2.gz HNYDLQHFOHPFGM-HNNXBMFYSA-N -1 3 396.393 3.684 20 0 GHADHM COCc1cnc([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)s1 ZINC001128764914 856497936 /nfs/dbraw/zinc/49/79/36/856497936.db2.gz KVZAQIQWHVPEQB-UHFFFAOYSA-N -1 3 394.250 3.959 20 0 GHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccncc4)cc3)ccc2O1 ZINC000592006897 856534677 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O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000674854528 856860360 /nfs/dbraw/zinc/86/03/60/856860360.db2.gz YTDBZIVPVIYJBK-UHFFFAOYSA-N -1 3 399.878 3.809 20 0 GHADHM O=S(=O)([N-]c1cncc(Cl)c1Br)c1ccc2ncccc2c1 ZINC000508083892 856878674 /nfs/dbraw/zinc/87/86/74/856878674.db2.gz KSSFPPHKWAMVHB-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000508113038 856899528 /nfs/dbraw/zinc/89/95/28/856899528.db2.gz PZHWSQUOMXGFDO-KRWDZBQOSA-N -1 3 396.390 3.952 20 0 GHADHM CCCCc1nc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)c(C(=O)OCC)[n-]1 ZINC000485665197 856901019 /nfs/dbraw/zinc/90/10/19/856901019.db2.gz LSIBVSMBEAVPRZ-LLVKDONJSA-N -1 3 379.407 3.949 20 0 GHADHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccccc2SC)c(Cl)c1 ZINC000508111645 856936074 /nfs/dbraw/zinc/93/60/74/856936074.db2.gz JYOJJLSOOYDVOP-UHFFFAOYSA-N -1 3 385.894 3.958 20 0 GHADHM O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000015344869 856940518 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GHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482271970 862870928 /nfs/dbraw/zinc/87/09/28/862870928.db2.gz GXXJLXCBWOLUHB-MRXNPFEDSA-N -1 3 375.266 3.950 20 0 GHADHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000171820233 862872507 /nfs/dbraw/zinc/87/25/07/862872507.db2.gz QKJCTDSPPBCKJP-UHFFFAOYSA-N -1 3 395.503 3.686 20 0 GHADHM CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000120977372 857163531 /nfs/dbraw/zinc/16/35/31/857163531.db2.gz CSUVPSYSAUQZMY-ZDUSSCGKSA-N -1 3 390.480 3.985 20 0 GHADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCc2ccccc21 ZINC000015563593 857171382 /nfs/dbraw/zinc/17/13/82/857171382.db2.gz QODBKXLJKBRWLJ-UHFFFAOYSA-N -1 3 396.443 3.829 20 0 GHADHM O=S(=O)([N-]CCc1ccc2ccccc2c1)c1cccnc1C(F)(F)F ZINC000520861256 857332106 /nfs/dbraw/zinc/33/21/06/857332106.db2.gz CZOGIDAEGXJWLT-UHFFFAOYSA-N -1 3 380.391 3.775 20 0 GHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1c(F)cccc1F ZINC000482296994 862905617 /nfs/dbraw/zinc/90/56/17/862905617.db2.gz ORKKAAIWLCANAC-SECBINFHSA-N -1 3 385.208 3.993 20 0 GHADHM CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@H](CCO)c1ccccc1 ZINC000907060804 857454728 /nfs/dbraw/zinc/45/47/28/857454728.db2.gz PPATZWZPLYQVEC-AWEZNQCLSA-N -1 3 391.493 3.686 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1 ZINC000520976336 857470522 /nfs/dbraw/zinc/47/05/22/857470522.db2.gz HCKQOPPMNTYUOC-UHFFFAOYSA-N -1 3 393.505 3.828 20 0 GHADHM CCN(CCc1nccs1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907122209 857483255 /nfs/dbraw/zinc/48/32/55/857483255.db2.gz ZWSKRGCNJSJNAO-UHFFFAOYSA-N -1 3 382.511 3.651 20 0 GHADHM COC(=O)c1ccc(COc2ccc(C=Cc3nc(C)cc(=O)[n-]3)cc2OC)o1 ZINC000486190213 857511498 /nfs/dbraw/zinc/51/14/98/857511498.db2.gz ATVVXGFZOQAQIN-WEVVVXLNSA-N -1 3 396.399 3.628 20 0 GHADHM COc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc(OC)c1[O-] ZINC000486207700 857542418 /nfs/dbraw/zinc/54/24/18/857542418.db2.gz OQHVAJAOQUJJDV-JSGCOSHPSA-N -1 3 381.350 3.714 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000063146204 857592524 /nfs/dbraw/zinc/59/25/24/857592524.db2.gz XLVHRLMNXOJMJK-UHFFFAOYSA-N -1 3 377.462 3.828 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1ccccc1 ZINC000058786240 857603716 /nfs/dbraw/zinc/60/37/16/857603716.db2.gz NYEHGVQQHGVHFC-OAQYLSRUSA-N -1 3 375.424 3.997 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000521135498 857648159 /nfs/dbraw/zinc/64/81/59/857648159.db2.gz CJAHBRPRPSGTMS-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1ccccc1COc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000521135498 857648166 /nfs/dbraw/zinc/64/81/66/857648166.db2.gz CJAHBRPRPSGTMS-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccccc3F)n2)n[nH]1 ZINC000063738540 857651333 /nfs/dbraw/zinc/65/13/33/857651333.db2.gz AOCMFOYIKSXHGN-UHFFFAOYSA-N -1 3 395.419 3.995 20 0 GHADHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1C ZINC000063803373 857661295 /nfs/dbraw/zinc/66/12/95/857661295.db2.gz ZQFCWTVYIWSBRD-UHFFFAOYSA-N -1 3 396.896 3.637 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccn1Cc1ccccc1 ZINC000676055951 857719957 /nfs/dbraw/zinc/71/99/57/857719957.db2.gz QFIUNMYKHKOOOB-UHFFFAOYSA-N -1 3 385.261 3.935 20 0 GHADHM CCCCc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cs1 ZINC000733442613 862946171 /nfs/dbraw/zinc/94/61/71/862946171.db2.gz QYQBEPDXZMTSAA-INIZCTEOSA-N -1 3 388.489 3.539 20 0 GHADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000676168963 857760850 /nfs/dbraw/zinc/76/08/50/857760850.db2.gz TUIVRBWOAHZANF-CQSZACIVSA-N -1 3 376.859 3.921 20 0 GHADHM Cc1cccc(CS(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000486575795 857876848 /nfs/dbraw/zinc/87/68/48/857876848.db2.gz OISGCYNBNZFIOC-UHFFFAOYSA-N -1 3 376.222 3.978 20 0 GHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452844286 857918374 /nfs/dbraw/zinc/91/83/74/857918374.db2.gz KDMNHGGKFNTBCK-LBPRGKRZSA-N -1 3 390.233 3.513 20 0 GHADHM CCOc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000486645337 857939954 /nfs/dbraw/zinc/93/99/54/857939954.db2.gz LQOCBGXVFLEQDZ-UHFFFAOYSA-N -1 3 393.281 3.895 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccnc1C(F)(F)F ZINC000521416270 857973578 /nfs/dbraw/zinc/97/35/78/857973578.db2.gz LYCFKSUHTISGMQ-NWDGAFQWSA-N -1 3 376.787 3.588 20 0 GHADHM C[C@H]1CO[C@H](c2ccccc2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000066852608 857976150 /nfs/dbraw/zinc/97/61/50/857976150.db2.gz ONDGHJAFRDUVNX-KSSFIOAISA-N -1 3 375.428 3.631 20 0 GHADHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCC1 ZINC000760606363 857978033 /nfs/dbraw/zinc/97/80/33/857978033.db2.gz VZAWZVYUSKFDHL-UHFFFAOYSA-N -1 3 381.325 3.654 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000521463657 858020046 /nfs/dbraw/zinc/02/00/46/858020046.db2.gz KAENGIQZMVVZIU-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000521463657 858020056 /nfs/dbraw/zinc/02/00/56/858020056.db2.gz KAENGIQZMVVZIU-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594296863 858032423 /nfs/dbraw/zinc/03/24/23/858032423.db2.gz UEAAOIPVPIOTLS-UHFFFAOYSA-N -1 3 385.489 3.724 20 0 GHADHM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000908335415 858040809 /nfs/dbraw/zinc/04/08/09/858040809.db2.gz YHXLZSULZJLNAY-GOSISDBHSA-N -1 3 390.499 3.579 20 0 GHADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000067838137 858074489 /nfs/dbraw/zinc/07/44/89/858074489.db2.gz YLXNTYFYOSFNJS-GFCCVEGCSA-N -1 3 390.361 3.960 20 0 GHADHM O=C(CCSc1ccccc1Br)N[N-]C(=O)c1ccccc1F ZINC000046566106 858115999 /nfs/dbraw/zinc/11/59/99/858115999.db2.gz JACRARUYDILMPK-UHFFFAOYSA-N -1 3 397.269 3.532 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)cc2)n1 ZINC000521607385 858168512 /nfs/dbraw/zinc/16/85/12/858168512.db2.gz QDDBIXRAKANRMO-UHFFFAOYSA-N -1 3 395.369 3.812 20 0 GHADHM CC[C@@H](CNC(=O)c1cc(Cl)c([O-])c(OC)c1)N1CCc2ccccc2C1 ZINC000442863337 858183601 /nfs/dbraw/zinc/18/36/01/858183601.db2.gz CJTKVXMHFUAIAZ-KRWDZBQOSA-N -1 3 388.895 3.621 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccncc1)c1cnccc1C(F)(F)F ZINC000442916311 858221503 /nfs/dbraw/zinc/22/15/03/858221503.db2.gz BCPBCUUOSNQZHE-KRWDZBQOSA-N -1 3 393.390 3.563 20 0 GHADHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)nnn1-c1cccc2ncccc21 ZINC000066765094 858286671 /nfs/dbraw/zinc/28/66/71/858286671.db2.gz LOEBJRQXURHYSD-UHFFFAOYSA-N -1 3 393.476 3.525 20 0 GHADHM O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc2n[n-]nc21 ZINC000682153676 858302491 /nfs/dbraw/zinc/30/24/91/858302491.db2.gz PESCLJQPDCXOFD-YUMQZZPRSA-N -1 3 380.292 3.597 20 0 GHADHM CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138988 858449394 /nfs/dbraw/zinc/44/93/94/858449394.db2.gz QHCJGGAWRNZKCR-SFHVURJKSA-N -1 3 399.878 3.849 20 0 GHADHM CCOc1cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)cc(Cl)c1[O-] ZINC000443223470 858484656 /nfs/dbraw/zinc/48/46/56/858484656.db2.gz ZQDXIZBFUKRPQZ-UHFFFAOYSA-N -1 3 397.822 3.870 20 0 GHADHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574952889 858494951 /nfs/dbraw/zinc/49/49/51/858494951.db2.gz WDUJMDHUISWNLO-YPMLDQLKSA-N -1 3 399.244 3.543 20 0 GHADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000443239804 858496507 /nfs/dbraw/zinc/49/65/07/858496507.db2.gz ZTVFYARQJDGVCE-MRXNPFEDSA-N -1 3 393.480 3.692 20 0 GHADHM Cc1c([O-])ccc2c(CNc3cccc(N4CCCCC4=O)c3)cc(=O)oc12 ZINC000046834303 858512213 /nfs/dbraw/zinc/51/22/13/858512213.db2.gz ZMIWWNZELROBJJ-UHFFFAOYSA-N -1 3 378.428 3.936 20 0 GHADHM COc1ccc(-c2n[n-]c(=NC3CCN([C@H](C)c4ccncc4)CC3)s2)cc1 ZINC000575117965 858570806 /nfs/dbraw/zinc/57/08/06/858570806.db2.gz VKVCSOYKXQXJKC-OAHLLOKOSA-N -1 3 395.532 3.668 20 0 GHADHM Cc1nnc([N-]C(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)s1 ZINC000522145442 858668412 /nfs/dbraw/zinc/66/84/12/858668412.db2.gz PYRFUIATSLMLRO-UHFFFAOYSA-N -1 3 394.382 3.576 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cc(Br)ccc1Cl ZINC000543165795 858721032 /nfs/dbraw/zinc/72/10/32/858721032.db2.gz DJKBLIVIEVQNMK-JTQLQIEISA-N -1 3 384.748 3.667 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H]1CCSC1 ZINC000761145336 858726494 /nfs/dbraw/zinc/72/64/94/858726494.db2.gz WYHSPARFRLRCTA-CYBMUJFWSA-N -1 3 395.477 3.597 20 0 GHADHM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000183560836 858772241 /nfs/dbraw/zinc/77/22/41/858772241.db2.gz VYWKLZCJWZTQNE-UHFFFAOYSA-N -1 3 388.865 3.866 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1C ZINC000184875063 859012811 /nfs/dbraw/zinc/01/28/11/859012811.db2.gz ASQAJHCXOVJAKF-HNNXBMFYSA-N -1 3 379.453 3.659 20 0 GHADHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000668178580 859027494 /nfs/dbraw/zinc/02/74/94/859027494.db2.gz APTHRLJFGWMNOZ-LLVKDONJSA-N -1 3 387.274 3.640 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccsc2Br)c(F)cc1F ZINC000509335025 859096542 /nfs/dbraw/zinc/09/65/42/859096542.db2.gz CXYWHBHQQQPRIX-UHFFFAOYSA-N -1 3 382.251 3.576 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CC2CCCCC2)cc1OC ZINC000068602316 859112804 /nfs/dbraw/zinc/11/28/04/859112804.db2.gz OACPYBIGWAGQSA-UHFFFAOYSA-N -1 3 383.514 3.501 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1Cl ZINC000483068175 859113690 /nfs/dbraw/zinc/11/36/90/859113690.db2.gz MSWAVBIPNOSEEI-GFCCVEGCSA-N -1 3 375.782 3.673 20 0 GHADHM Cc1ccc(CN(CCO)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)o1 ZINC000483223733 859218736 /nfs/dbraw/zinc/21/87/36/859218736.db2.gz WGWKRTUUVATNSA-UHFFFAOYSA-N -1 3 385.445 3.553 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2Cl)C(C)C)c1 ZINC000522376357 859257651 /nfs/dbraw/zinc/25/76/51/859257651.db2.gz RKTSVVISVQJBAU-HNNXBMFYSA-N -1 3 387.910 3.864 20 0 GHADHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429400927 859271941 /nfs/dbraw/zinc/27/19/41/859271941.db2.gz ASWHRFQMTYZMMC-OKILXGFUSA-N -1 3 396.491 3.549 20 0 GHADHM O=C([O-])C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1cccs1 ZINC000319956501 859318772 /nfs/dbraw/zinc/31/87/72/859318772.db2.gz HTVNULBECMWZJL-GFCCVEGCSA-N -1 3 398.278 3.587 20 0 GHADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000923465507 859332382 /nfs/dbraw/zinc/33/23/82/859332382.db2.gz FWPOUXZNLPHDOV-HSZRJFAPSA-N -1 3 396.487 3.781 20 0 GHADHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000069093062 859338882 /nfs/dbraw/zinc/33/88/82/859338882.db2.gz LLNLHLFIEFYTQG-AWEZNQCLSA-N -1 3 385.316 3.546 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000923468602 859345574 /nfs/dbraw/zinc/34/55/74/859345574.db2.gz YAVNRWDBZCTWMS-XIKOKIGWSA-N -1 3 387.307 3.747 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(N)c3)cc2)cc1 ZINC000195178199 859360756 /nfs/dbraw/zinc/36/07/56/859360756.db2.gz GPTZMGNHOYHMCD-UHFFFAOYSA-N -1 3 381.457 3.630 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000483439228 859375055 /nfs/dbraw/zinc/37/50/55/859375055.db2.gz NOMOJGSGSYSPSE-CQSZACIVSA-N -1 3 380.444 3.817 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnc4onc(C(C)C)c4c3)cc2)n1 ZINC000195489032 859387971 /nfs/dbraw/zinc/38/79/71/859387971.db2.gz LUMWJCYJARDFON-UHFFFAOYSA-N -1 3 389.415 3.657 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(F)cc1F ZINC000543688396 859451110 /nfs/dbraw/zinc/45/11/10/859451110.db2.gz XPQQRKQFIMHRBG-RHSMWYFYSA-N -1 3 385.407 3.611 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(Cc1ccccc1)C1CCCCC1 ZINC000483565783 859453366 /nfs/dbraw/zinc/45/33/66/859453366.db2.gz JVDKFWQTZPFJJS-UHFFFAOYSA-N -1 3 381.402 3.868 20 0 GHADHM Cc1ccc([O-])c(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)n1 ZINC000483643418 859505427 /nfs/dbraw/zinc/50/54/27/859505427.db2.gz XSSLETMOVWBVIH-LLVKDONJSA-N -1 3 389.253 3.759 20 0 GHADHM O=C(COc1ccc2c([O-])coc2c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000642608661 912212174 /nfs/dbraw/zinc/21/21/74/912212174.db2.gz BWVVDJFXMKUWBR-UHFFFAOYSA-N -1 3 385.725 3.951 20 0 GHADHM Cc1cc(CCCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(C)s1 ZINC000673505612 859613573 /nfs/dbraw/zinc/61/35/73/859613573.db2.gz PNACJFWMMUDYFO-ZIAGYGMSSA-N -1 3 389.521 3.568 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CC4(CCC4)c4ccccc43)nc(=O)c2c1C ZINC000483807112 859623491 /nfs/dbraw/zinc/62/34/91/859623491.db2.gz OUGLOUBIHAWSKN-UHFFFAOYSA-N -1 3 395.484 3.522 20 0 GHADHM O=C(NCCc1cccc2ccccc21)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052848479 859808661 /nfs/dbraw/zinc/80/86/61/859808661.db2.gz OFNHBHRMQHAJIY-NRFANRHFSA-N -1 3 388.467 3.509 20 0 GHADHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000765244359 859863810 /nfs/dbraw/zinc/86/38/10/859863810.db2.gz UJWCXFQHISBNPS-BONVTDFDSA-N -1 3 392.279 3.923 20 0 GHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484250235 859899223 /nfs/dbraw/zinc/89/92/23/859899223.db2.gz AQBSCJULFWNRQB-VIFPVBQESA-N -1 3 378.325 3.918 20 0 GHADHM COCCOc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000165325882 859976548 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390.418 3.667 20 0 GHADHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]2CCCC[C@H]12 ZINC000598910871 860668957 /nfs/dbraw/zinc/66/89/57/860668957.db2.gz XUOSVJWPJUQVHB-BZUAXINKSA-N -1 3 385.382 3.605 20 0 GHADHM COC1CCC(C)(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489798479 860755572 /nfs/dbraw/zinc/75/55/72/860755572.db2.gz ANKYKZFINWKJDU-UHFFFAOYSA-N -1 3 399.406 3.598 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3cccc(Cl)c3C)c2)n1 ZINC000129699187 860779801 /nfs/dbraw/zinc/77/98/01/860779801.db2.gz DOKXLHOVWJELQB-UHFFFAOYSA-N -1 3 397.862 3.979 20 0 GHADHM O=C(Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1)C1CCCCC1 ZINC000175018594 860839903 /nfs/dbraw/zinc/83/99/03/860839903.db2.gz NQPLFRHIKYIEOL-GOSISDBHSA-N -1 3 380.510 3.516 20 0 GHADHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000102889467 860886029 /nfs/dbraw/zinc/88/60/29/860886029.db2.gz ZHFGHMYLLNXGMB-UHFFFAOYSA-N -1 3 377.164 3.502 20 0 GHADHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000102889467 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C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)Oc1ccc(F)cc1 ZINC000482612749 863397195 /nfs/dbraw/zinc/39/71/95/863397195.db2.gz ZBEGJYIMYZBNFW-NSHDSACASA-N -1 3 397.244 3.561 20 0 GHADHM CCCCc1nnc([N-]C(=O)c2cn(-c3cccc(Cl)c3F)nn2)s1 ZINC000182907392 863400203 /nfs/dbraw/zinc/40/02/03/863400203.db2.gz MRGAIILNDPRWBQ-UHFFFAOYSA-N -1 3 380.836 3.506 20 0 GHADHM Cc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c([O-])c1 ZINC000120679975 881668740 /nfs/dbraw/zinc/66/87/40/881668740.db2.gz KVRFCLDEAWRNKB-UHFFFAOYSA-N -1 3 387.867 3.734 20 0 GHADHM COc1ccc2c(c1)N(Cc1nc3c4ccccc4oc3c(=O)[n-]1)C[C@H](C)O2 ZINC000444172287 863589625 /nfs/dbraw/zinc/58/96/25/863589625.db2.gz XQFQPEKOSDJQBR-LBPRGKRZSA-N -1 3 377.400 3.878 20 0 GHADHM Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000606474840 863655696 /nfs/dbraw/zinc/65/56/96/863655696.db2.gz PYLGCZSLSADPOS-LLVKDONJSA-N -1 3 381.436 3.515 20 0 GHADHM Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000606537306 863694007 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CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000606827603 863861295 /nfs/dbraw/zinc/86/12/95/863861295.db2.gz GFKZPDVMIMDGCJ-IBGZPJMESA-N -1 3 391.489 3.690 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000606904125 863928935 /nfs/dbraw/zinc/92/89/35/863928935.db2.gz UMRWJVUZXGNIPL-RYUDHWBXSA-N -1 3 398.878 3.900 20 0 GHADHM CN(c1ccc(CNC(=O)N[N-]C(=O)c2ccccc2F)cc1)C1CCCCC1 ZINC000063068140 864108583 /nfs/dbraw/zinc/10/85/83/864108583.db2.gz BILAWVMONXMXLO-UHFFFAOYSA-N -1 3 398.482 3.739 20 0 GHADHM Cc1noc(C)c1COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000184183470 864190618 /nfs/dbraw/zinc/19/06/18/864190618.db2.gz POUDNYQWNJPRFB-UHFFFAOYSA-N -1 3 384.407 3.800 20 0 GHADHM C[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000444321680 864195969 /nfs/dbraw/zinc/19/59/69/864195969.db2.gz SVBWTUIMQSWFEE-ZFWWWQNUSA-N -1 3 376.453 3.545 20 0 GHADHM CC(C)(C)OC(=O)Nc1ncc(CCC(=O)[N-]Oc2ccc(F)cc2)s1 ZINC000898574599 864203365 /nfs/dbraw/zinc/20/33/65/864203365.db2.gz DMNLYIPWLAJZLM-UHFFFAOYSA-N -1 3 381.429 3.672 20 0 GHADHM CCN(c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1)C(C)C ZINC000063861878 864224794 /nfs/dbraw/zinc/22/47/94/864224794.db2.gz DLKWKCVHOVENNE-UHFFFAOYSA-N -1 3 375.494 3.545 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3cccc(F)n3)c2)cc1 ZINC000734482065 864246936 /nfs/dbraw/zinc/24/69/36/864246936.db2.gz KEKAAFCXGPFOHK-UHFFFAOYSA-N -1 3 387.436 3.642 20 0 GHADHM CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184234440 864268203 /nfs/dbraw/zinc/26/82/03/864268203.db2.gz PZZSPBUIADZYRW-AATRIKPKSA-N -1 3 386.807 3.989 20 0 GHADHM Cc1cccc(Oc2cc(CNC(=O)N=c3cc4ccccn4[n-]3)ccn2)c1C ZINC000554412186 864282527 /nfs/dbraw/zinc/28/25/27/864282527.db2.gz UORLGWSLSJUECT-UHFFFAOYSA-N -1 3 387.443 3.882 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000554444095 864356176 /nfs/dbraw/zinc/35/61/76/864356176.db2.gz KGOCCKRJMROUHG-UHFFFAOYSA-N -1 3 397.891 3.897 20 0 GHADHM CC(=O)Nc1cccc2c1CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C2 ZINC000621702132 864360169 /nfs/dbraw/zinc/36/01/69/864360169.db2.gz HIBRMBGLHPXKHI-UHFFFAOYSA-N -1 3 378.350 3.568 20 0 GHADHM O=C(NN=c1ccc(C(F)(F)F)n[n-]1)c1cccc(Br)c1Cl ZINC000184326116 864371276 /nfs/dbraw/zinc/37/12/76/864371276.db2.gz AGFVZZJPMUYWFZ-UHFFFAOYSA-N -1 3 395.566 3.668 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(C)nc4ccnn4c3C)nc(=O)c2c1C ZINC000760586253 864433108 /nfs/dbraw/zinc/43/31/08/864433108.db2.gz DMQAVGTTWYEDSA-NSHDSACASA-N -1 3 397.460 3.591 20 0 GHADHM COc1ccc(OCc2nc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)cs2)cc1 ZINC000063278065 864446615 /nfs/dbraw/zinc/44/66/15/864446615.db2.gz SJRWNXBTYDTTBA-ZDLGFXPLSA-N -1 3 392.436 3.541 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c1 ZINC000104634082 864527256 /nfs/dbraw/zinc/52/72/56/864527256.db2.gz BEDRPBDPOCTFMP-UHFFFAOYSA-N -1 3 386.395 3.946 20 0 GHADHM CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000735126337 864621049 /nfs/dbraw/zinc/62/10/49/864621049.db2.gz YIJXGWUKDVYIQQ-UHFFFAOYSA-N -1 3 398.459 3.993 20 0 GHADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(Cc1cccs1)Cc1cccs1 ZINC000104824409 864668167 /nfs/dbraw/zinc/66/81/67/864668167.db2.gz PZISDKDFAMQLTQ-UHFFFAOYSA-N -1 3 382.466 3.536 20 0 GHADHM Cc1ccc(C(=O)NNC(=S)Nc2ccc(SC(F)F)cc2)c([O-])c1 ZINC000042088509 864689668 /nfs/dbraw/zinc/68/96/68/864689668.db2.gz UVGTXZBOOZUTSE-UHFFFAOYSA-N -1 3 383.445 3.647 20 0 GHADHM Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000622102907 864764190 /nfs/dbraw/zinc/76/41/90/864764190.db2.gz GVVAGYACOUABHZ-UHFFFAOYSA-N -1 3 378.219 3.505 20 0 GHADHM CC(C)(C)c1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000167791358 864798420 /nfs/dbraw/zinc/79/84/20/864798420.db2.gz RLLMPKWNHYXLEP-UHFFFAOYSA-N -1 3 379.258 3.564 20 0 GHADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000182641410 864893573 /nfs/dbraw/zinc/89/35/73/864893573.db2.gz ANZGCAODTWFFHA-NSHDSACASA-N -1 3 386.395 3.819 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000480582198 864908803 /nfs/dbraw/zinc/90/88/03/864908803.db2.gz PGGPUQQTBVFRTJ-UHFFFAOYSA-N -1 3 387.671 3.817 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2Cl)s1 ZINC000609802756 864932565 /nfs/dbraw/zinc/93/25/65/864932565.db2.gz OAKOIQFMXVCNHE-QMMMGPOBSA-N -1 3 394.301 3.881 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)C2CC2)n1 ZINC000608033791 864936952 /nfs/dbraw/zinc/93/69/52/864936952.db2.gz QXKYNOOHUUVXGM-KRWDZBQOSA-N -1 3 389.502 3.677 20 0 GHADHM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622399383 864974035 /nfs/dbraw/zinc/97/40/35/864974035.db2.gz ZXDDZHMIRXTYNE-UHFFFAOYSA-N -1 3 389.377 3.928 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000735874145 865020154 /nfs/dbraw/zinc/02/01/54/865020154.db2.gz IEBDEGAVUDIDIM-DLBZAZTESA-N -1 3 397.429 3.686 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000735874145 865020162 /nfs/dbraw/zinc/02/01/62/865020162.db2.gz IEBDEGAVUDIDIM-DLBZAZTESA-N -1 3 397.429 3.686 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(C2CCCC2)CC1 ZINC000608170153 865063451 /nfs/dbraw/zinc/06/34/51/865063451.db2.gz IMVOCPYOTCPTSP-UHFFFAOYSA-N -1 3 394.519 3.502 20 0 GHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000736117990 865139695 /nfs/dbraw/zinc/13/96/95/865139695.db2.gz PPIKNKPYUGATLN-KEYYUXOJSA-N -1 3 396.528 3.696 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000736192407 865152124 /nfs/dbraw/zinc/15/21/24/865152124.db2.gz MOIABTNLJSKTCJ-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000736192407 865152132 /nfs/dbraw/zinc/15/21/32/865152132.db2.gz MOIABTNLJSKTCJ-MRVPVSSYSA-N -1 3 395.275 3.688 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736244508 865161000 /nfs/dbraw/zinc/16/10/00/865161000.db2.gz JGMWIFFTKRJZJY-WFASDCNBSA-N -1 3 382.493 3.679 20 0 GHADHM C[C@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736244508 865161005 /nfs/dbraw/zinc/16/10/05/865161005.db2.gz JGMWIFFTKRJZJY-WFASDCNBSA-N -1 3 382.493 3.679 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cnccc1C(F)(F)F ZINC000480730562 865186900 /nfs/dbraw/zinc/18/69/00/865186900.db2.gz VFLIUBYQDBMKDY-TZMCWYRMSA-N -1 3 388.386 3.854 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cnc(-c2ccccn2)s1 ZINC000171294873 865204776 /nfs/dbraw/zinc/20/47/76/865204776.db2.gz OJBLSCWUJAIZLA-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCO[C@H]1c1ccccc1)c1cc(F)ccc1Cl ZINC000171422844 865247120 /nfs/dbraw/zinc/24/71/20/865247120.db2.gz NJITWSVNOQTDOF-KDOFPFPSSA-N -1 3 383.872 3.925 20 0 GHADHM CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736651932 865257357 /nfs/dbraw/zinc/25/73/57/865257357.db2.gz SXTZHIPHPGKGLN-ZDUSSCGKSA-N -1 3 392.463 3.593 20 0 GHADHM CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736651932 865257369 /nfs/dbraw/zinc/25/73/69/865257369.db2.gz SXTZHIPHPGKGLN-ZDUSSCGKSA-N -1 3 392.463 3.593 20 0 GHADHM CC(C)c1cnc(-c2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2)o1 ZINC000480770662 865267958 /nfs/dbraw/zinc/26/79/58/865267958.db2.gz SFDMKCHCXPXQIZ-UHFFFAOYSA-N -1 3 394.357 3.924 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1nc(-c2ccccc2)no1 ZINC000121001626 881856702 /nfs/dbraw/zinc/85/67/02/881856702.db2.gz ZWMDDOFPPVGDEJ-NSHDSACASA-N -1 3 395.843 3.611 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(-n4cccn4)n3)nc(=O)c2c1C ZINC000736927862 865327142 /nfs/dbraw/zinc/32/71/42/865327142.db2.gz JSXVDANWMWLGQA-LLVKDONJSA-N -1 3 395.444 3.512 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc3c(c2)OCCCO3)ccc1-c1nnn[n-]1 ZINC000737633221 865411817 /nfs/dbraw/zinc/41/18/17/865411817.db2.gz PGEJKBMIDYMVPO-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc3c(c2)OCCCO3)ccc1-c1nn[n-]n1 ZINC000737633221 865411824 /nfs/dbraw/zinc/41/18/24/865411824.db2.gz PGEJKBMIDYMVPO-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000737593664 865413124 /nfs/dbraw/zinc/41/31/24/865413124.db2.gz XWWFXFOZCKWHFR-YOEHRIQHSA-N -1 3 398.544 3.943 20 0 GHADHM CCCCc1ccc2nc([N-]C(=O)c3sccc3S(N)(=O)=O)sc2c1 ZINC000669761457 865426331 /nfs/dbraw/zinc/42/63/31/865426331.db2.gz HJHROSPHQYFNPX-UHFFFAOYSA-N -1 3 395.531 3.600 20 0 GHADHM COc1ccc(Sc2nsc([N-]C(=O)c3cc(C)cnc3F)n2)cc1 ZINC001126894315 865431829 /nfs/dbraw/zinc/43/18/29/865431829.db2.gz OIYKOIYNPRUQOC-UHFFFAOYSA-N -1 3 376.438 3.793 20 0 GHADHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1OC ZINC000737866910 865449807 /nfs/dbraw/zinc/44/98/07/865449807.db2.gz FVPPSBKPAHELBV-GTNSWQLSSA-N -1 3 379.840 3.842 20 0 GHADHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000737947038 865464585 /nfs/dbraw/zinc/46/45/85/865464585.db2.gz KORIZGKLHDZAMM-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(C(F)(F)F)cc1 ZINC000737947038 865464595 /nfs/dbraw/zinc/46/45/95/865464595.db2.gz KORIZGKLHDZAMM-UHFFFAOYSA-N -1 3 379.367 3.616 20 0 GHADHM CCn1cc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c(C2CC2)n1 ZINC000639643059 865469047 /nfs/dbraw/zinc/46/90/47/865469047.db2.gz ZISCEKRCSYMAIS-UHFFFAOYSA-N -1 3 385.855 3.507 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000738377450 865534054 /nfs/dbraw/zinc/53/40/54/865534054.db2.gz VQHUYVQJNNVTSA-SNVBAGLBSA-N -1 3 378.803 3.663 20 0 GHADHM O=S(=O)([N-]CCCOc1ccc(Cl)cc1Cl)c1cccnc1Cl ZINC000738365401 865548361 /nfs/dbraw/zinc/54/83/61/865548361.db2.gz HXSULEVAFWVLNZ-UHFFFAOYSA-N -1 3 395.695 3.789 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3nc4c(s3)CCCC4)nc2)n1 ZINC000301898704 865594490 /nfs/dbraw/zinc/59/44/90/865594490.db2.gz SKWYGYUOXRTJPN-UHFFFAOYSA-N -1 3 381.505 3.797 20 0 GHADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccc(Nc2ncccn2)c1 ZINC000622891273 865702147 /nfs/dbraw/zinc/70/21/47/865702147.db2.gz PVYYVQYGFHZDAX-UHFFFAOYSA-N -1 3 390.834 3.938 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)nc2)n1 ZINC000302524599 865835171 /nfs/dbraw/zinc/83/51/71/865835171.db2.gz JRYVIOAXAZQIHC-UGSOOPFHSA-N -1 3 396.413 3.702 20 0 GHADHM Cc1ccc(Cl)c2ccc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)nc12 ZINC000302596409 865855436 /nfs/dbraw/zinc/85/54/36/865855436.db2.gz BDWNWOIFRGMVDA-UHFFFAOYSA-N -1 3 381.863 3.865 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CC(=O)Nc3cccc(Cl)c3)nc2)n1 ZINC000302824763 865941449 /nfs/dbraw/zinc/94/14/49/865941449.db2.gz LXRVKMCYIKLLID-UHFFFAOYSA-N -1 3 397.866 3.535 20 0 GHADHM C[C@H]1CC[C@H](CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000475481756 866011754 /nfs/dbraw/zinc/01/17/54/866011754.db2.gz YJXSGYCQIATHBG-KBPBESRZSA-N -1 3 393.915 3.842 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(N2CCCCCC2)c1 ZINC000481212509 866021835 /nfs/dbraw/zinc/02/18/35/866021835.db2.gz DNJJSCIZVFBLGH-UHFFFAOYSA-N -1 3 382.390 3.526 20 0 GHADHM CSc1nc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)n[n-]1 ZINC000623199558 866077895 /nfs/dbraw/zinc/07/78/95/866077895.db2.gz DYEWWLDBUUEFOQ-UHFFFAOYSA-N -1 3 388.453 3.627 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cnc(-c2cccnc2)s1 ZINC000534213459 866308829 /nfs/dbraw/zinc/30/88/29/866308829.db2.gz NXNMCXLLCVYHAM-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM Cc1ccc(F)c(CN(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000444437774 866486334 /nfs/dbraw/zinc/48/63/34/866486334.db2.gz GCAQJYFXQILSLS-UHFFFAOYSA-N -1 3 394.450 3.591 20 0 GHADHM Cc1nc(C)c(CC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c(=O)[n-]1 ZINC000552950738 866521345 /nfs/dbraw/zinc/52/13/45/866521345.db2.gz DUULJPRGLMQGFH-KRWDZBQOSA-N -1 3 395.381 3.508 20 0 GHADHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000189724205 881987890 /nfs/dbraw/zinc/98/78/90/881987890.db2.gz XTZNYICGERPWHU-UHFFFAOYSA-N -1 3 386.345 3.771 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OC(C)C)c1 ZINC000478748284 866584979 /nfs/dbraw/zinc/58/49/79/866584979.db2.gz QWKMHHYBORVFRP-UHFFFAOYSA-N -1 3 381.436 3.695 20 0 GHADHM CCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OC(C)C)c1 ZINC000478748284 866584991 /nfs/dbraw/zinc/58/49/91/866584991.db2.gz QWKMHHYBORVFRP-UHFFFAOYSA-N -1 3 381.436 3.695 20 0 GHADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000032659212 866698060 /nfs/dbraw/zinc/69/80/60/866698060.db2.gz YXRUXTCJODKCLG-XVKPBYJWSA-N -1 3 388.695 3.754 20 0 GHADHM CC(C)(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000553095448 866787660 /nfs/dbraw/zinc/78/76/60/866787660.db2.gz XBDKUVXAKYHKBQ-UHFFFAOYSA-N -1 3 379.382 3.786 20 0 GHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)cc3N)nc(=O)c2c1C ZINC000005263295 882014839 /nfs/dbraw/zinc/01/48/39/882014839.db2.gz RZDHJAVPWRLNFU-QMMMGPOBSA-N -1 3 377.853 3.755 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C)c1F ZINC000742028620 867017484 /nfs/dbraw/zinc/01/74/84/867017484.db2.gz XFHRVZSTGMILNI-IYBDPMFKSA-N -1 3 392.496 3.857 20 0 GHADHM COC(=O)c1ccccc1CC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000553259420 867030481 /nfs/dbraw/zinc/03/04/81/867030481.db2.gz NONTYJURABHVMP-UHFFFAOYSA-N -1 3 387.863 3.927 20 0 GHADHM COc1ccc(-c2ccc(CNC(=O)c3nnc4ccccc4c3[O-])cc2)cc1 ZINC000742121352 867080906 /nfs/dbraw/zinc/08/09/06/867080906.db2.gz BSRSYATYZNKBHV-UHFFFAOYSA-N -1 3 385.423 3.941 20 0 GHADHM Cc1noc2ncc([N-]S(=O)(=O)/C=C/c3ccccc3Br)cc12 ZINC000742231527 867146764 /nfs/dbraw/zinc/14/67/64/867146764.db2.gz YGSCJMLSJJDBNJ-VOTSOKGWSA-N -1 3 394.250 3.706 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC2CCCCC2)nc1)c1ccc(Cl)s1 ZINC000523365902 867174497 /nfs/dbraw/zinc/17/44/97/867174497.db2.gz FRJJHTIIPYHGSV-UHFFFAOYSA-N -1 3 386.926 3.987 20 0 GHADHM CN(CCCC(=O)Nc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC000742302218 867185068 /nfs/dbraw/zinc/18/50/68/867185068.db2.gz BWUVVJHAGVHKNN-UHFFFAOYSA-N -1 3 387.274 3.740 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C(C)C)C3)nc(=O)c2c1C ZINC000444772730 867211300 /nfs/dbraw/zinc/21/13/00/867211300.db2.gz OLRNSTYYLMZVCU-KGLIPLIRSA-N -1 3 391.537 3.899 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000742312221 867220539 /nfs/dbraw/zinc/22/05/39/867220539.db2.gz JVXQUORYOMVNMG-ZDUSSCGKSA-N -1 3 395.695 3.708 20 0 GHADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\C3CC3)ccc2C)cc1 ZINC000742465613 867310962 /nfs/dbraw/zinc/31/09/62/867310962.db2.gz QQAIJSRTXIOORM-SDQBBNPISA-N -1 3 386.473 3.709 20 0 GHADHM CC(C)[C@@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000523516908 867440036 /nfs/dbraw/zinc/44/00/36/867440036.db2.gz CRTAOKSHKZXIHY-AWEZNQCLSA-N -1 3 378.469 3.648 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC000620775163 867468149 /nfs/dbraw/zinc/46/81/49/867468149.db2.gz CJHGYPSWWBPEDB-OAHLLOKOSA-N -1 3 381.350 3.978 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2cccnc2)cc1)c1cccnc1C(F)(F)F ZINC000553499374 867518158 /nfs/dbraw/zinc/51/81/58/867518158.db2.gz DIOKZCHACAXKLM-UHFFFAOYSA-N -1 3 393.390 3.641 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)c([O-])c1 ZINC000534829506 867557901 /nfs/dbraw/zinc/55/79/01/867557901.db2.gz SHFWXEFKDVPRBM-UHFFFAOYSA-N -1 3 399.834 3.969 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 ZINC000457043132 867563968 /nfs/dbraw/zinc/56/39/68/867563968.db2.gz GZYFAZMNHRGTRG-AWEZNQCLSA-N -1 3 385.464 3.839 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)N3CCOCC3)cc2)cc1Cl ZINC000479323123 867566513 /nfs/dbraw/zinc/56/65/13/867566513.db2.gz YHDJUEIWXKMRPA-OAHLLOKOSA-N -1 3 394.924 3.842 20 0 GHADHM O=c1nc(CN2CC[C@H](Nc3ccccc3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000171669805 882123433 /nfs/dbraw/zinc/12/34/33/882123433.db2.gz YMCRNZCPXYXRKB-HNNXBMFYSA-N -1 3 392.484 3.931 20 0 GHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667493181 867807788 /nfs/dbraw/zinc/80/77/88/867807788.db2.gz LJXVHDNERJJPQR-QFIPXVFZSA-N -1 3 381.472 3.655 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC000523737424 867874911 /nfs/dbraw/zinc/87/49/11/867874911.db2.gz ZDAGWTLLXSKTSE-YPMHNXCESA-N -1 3 390.908 3.932 20 0 GHADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000457237241 867882810 /nfs/dbraw/zinc/88/28/10/867882810.db2.gz CDQCAXBTVVODPP-DJJJIMSYSA-N -1 3 393.484 3.653 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCc2ccccc2CC1 ZINC000523833229 868030199 /nfs/dbraw/zinc/03/01/99/868030199.db2.gz XTQDVFBGWGNYDG-UHFFFAOYSA-N -1 3 397.272 3.532 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c(C)c1C ZINC000743261992 868032489 /nfs/dbraw/zinc/03/24/89/868032489.db2.gz LGEVRKWNJKKESD-UHFFFAOYSA-N -1 3 383.882 3.771 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000479555898 868044433 /nfs/dbraw/zinc/04/44/33/868044433.db2.gz POKIBBWJAAOPMN-UHFFFAOYSA-N -1 3 393.358 3.885 20 0 GHADHM COc1cccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)c1[O-] ZINC000445377215 868351985 /nfs/dbraw/zinc/35/19/85/868351985.db2.gz PMWXQDIQIUYIFZ-UHFFFAOYSA-N -1 3 394.214 3.939 20 0 GHADHM Cc1nsc([N-]C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)n1 ZINC000743750848 868394921 /nfs/dbraw/zinc/39/49/21/868394921.db2.gz PUQYAILMPHFPHE-UHFFFAOYSA-N -1 3 382.276 3.959 20 0 GHADHM C[C@]1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C[C@H]2C[C@H]2C1 ZINC000645779763 868405633 /nfs/dbraw/zinc/40/56/33/868405633.db2.gz DLYZZUWFANYNJH-IKDJWVMYSA-N -1 3 376.884 3.659 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)c([O-])c1 ZINC000445416488 868420065 /nfs/dbraw/zinc/42/00/65/868420065.db2.gz FXIAEEXBEWYWFE-UHFFFAOYSA-N -1 3 377.322 3.951 20 0 GHADHM C[C@@H](CC(F)(F)F)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000457664383 868598062 /nfs/dbraw/zinc/59/80/62/868598062.db2.gz VDHBYZUKTCIGIU-JTQLQIEISA-N -1 3 392.805 3.811 20 0 GHADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000479853110 868598808 /nfs/dbraw/zinc/59/88/08/868598808.db2.gz ONJLIYSENWERFV-UHFFFAOYSA-N -1 3 381.395 3.954 20 0 GHADHM CC(=O)Nc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)ccc1C ZINC000744216458 868672791 /nfs/dbraw/zinc/67/27/91/868672791.db2.gz HLBOMZGGIVTRGP-UHFFFAOYSA-N -1 3 377.400 3.644 20 0 GHADHM COc1ccc(OCCC(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000744218112 868674506 /nfs/dbraw/zinc/67/45/06/868674506.db2.gz UZSFAVLCWHIEKI-UHFFFAOYSA-N -1 3 380.400 3.541 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H]1C[C@]12CCCc1ccccc12 ZINC000648432882 882219993 /nfs/dbraw/zinc/21/99/93/882219993.db2.gz LCPSJWMKUUKHPG-DYVFJYSZSA-N -1 3 383.801 3.753 20 0 GHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000648433115 882222159 /nfs/dbraw/zinc/22/21/59/882222159.db2.gz SSUJLHORSUNIGB-VIFPVBQESA-N -1 3 396.196 3.889 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433727 882235171 /nfs/dbraw/zinc/23/51/71/882235171.db2.gz LURPKFXOGNGYOT-QMMMGPOBSA-N -1 3 382.169 3.580 20 0 GHADHM CC(=O)c1cccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000480001152 868885678 /nfs/dbraw/zinc/88/56/78/868885678.db2.gz XDKBBLRLTQXBFD-KRWDZBQOSA-N -1 3 385.407 3.731 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(-c4ccco4)nc3C)nc21 ZINC000158411565 868941078 /nfs/dbraw/zinc/94/10/78/868941078.db2.gz DKHUWHMRGXUNPG-UHFFFAOYSA-N -1 3 376.372 3.565 20 0 GHADHM O=S(=O)([N-]CCc1cccc2ccccc21)c1ccc(Br)cn1 ZINC000462281838 869160140 /nfs/dbraw/zinc/16/01/40/869160140.db2.gz XPNVAXXVRMTVQA-UHFFFAOYSA-N -1 3 391.290 3.518 20 0 GHADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(CSc2ccccn2)c1 ZINC000445938084 869178787 /nfs/dbraw/zinc/17/87/87/869178787.db2.gz OCBHRSWFCULKEK-CYBMUJFWSA-N -1 3 381.379 3.751 20 0 GHADHM COc1ccccc1NCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000745015774 869236623 /nfs/dbraw/zinc/23/66/23/869236623.db2.gz AKQMFGNDCYSNDR-NSHDSACASA-N -1 3 387.461 3.739 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000462377474 869321772 /nfs/dbraw/zinc/32/17/72/869321772.db2.gz AQOJCFLVNYLEIC-MRXNPFEDSA-N -1 3 388.533 3.994 20 0 GHADHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2C1 ZINC000462382119 869332491 /nfs/dbraw/zinc/33/24/91/869332491.db2.gz WILARUKNOJEHBU-HNNXBMFYSA-N -1 3 386.517 3.782 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Cc3ccccc3F)c2)n1 ZINC000152188652 869360980 /nfs/dbraw/zinc/36/09/80/869360980.db2.gz SDDQFFRLGSWAET-CQSZACIVSA-N -1 3 379.435 3.956 20 0 GHADHM CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2C1 ZINC000857489306 882295137 /nfs/dbraw/zinc/29/51/37/882295137.db2.gz WIYFHMFFAZYJMW-JTQLQIEISA-N -1 3 386.443 3.966 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)cc1Cl ZINC000462504752 869566788 /nfs/dbraw/zinc/56/67/88/869566788.db2.gz SVEPDNKUQLWGAB-WFASDCNBSA-N -1 3 388.892 3.685 20 0 GHADHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)cc1[O-] ZINC000745655079 869723575 /nfs/dbraw/zinc/72/35/75/869723575.db2.gz ZDHTZMDIUHLCEB-UHFFFAOYSA-N -1 3 385.416 3.908 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000669843319 869772070 /nfs/dbraw/zinc/77/20/70/869772070.db2.gz CCOYQUYMQPQDLI-MRVPVSSYSA-N -1 3 394.287 3.698 20 0 GHADHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1C ZINC000525017704 869895778 /nfs/dbraw/zinc/89/57/78/869895778.db2.gz HBCYPWYGGKZJCQ-UHFFFAOYSA-N -1 3 393.505 3.917 20 0 GHADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000121964877 882356065 /nfs/dbraw/zinc/35/60/65/882356065.db2.gz IFYHMZBZMPXDPQ-KRWDZBQOSA-N -1 3 378.432 3.622 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNCc3occc3C)c2)cc1 ZINC000525182473 870123882 /nfs/dbraw/zinc/12/38/82/870123882.db2.gz CUKAHDPIIRNEEK-UHFFFAOYSA-N -1 3 386.473 3.687 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c([O-])c1 ZINC000539971020 870131983 /nfs/dbraw/zinc/13/19/83/870131983.db2.gz GPCUBYZIDIQAAM-UHFFFAOYSA-N -1 3 391.807 3.636 20 0 GHADHM CCOC(=O)c1cc2cc[nH]c2cc1[N-]C(=O)c1nc(Cc2ccccc2)no1 ZINC001192269722 870254280 /nfs/dbraw/zinc/25/42/80/870254280.db2.gz HFAWPCLBPADTQW-UHFFFAOYSA-N -1 3 390.399 3.571 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192326627 870290516 /nfs/dbraw/zinc/29/05/16/870290516.db2.gz NWIMCGURAKUBEG-IRXDYDNUSA-N -1 3 388.508 3.914 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c([O-])c1 ZINC001192327547 870291938 /nfs/dbraw/zinc/29/19/38/870291938.db2.gz WTEMGRIRQYFFMN-JPYJTQIMSA-N -1 3 396.487 3.537 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001192327212 870292588 /nfs/dbraw/zinc/29/25/88/870292588.db2.gz SCSCNDVSHDMJQI-KRWDZBQOSA-N -1 3 397.519 3.585 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2nc(C(F)(F)F)cs2)nc1C1CC1 ZINC001192450619 870412496 /nfs/dbraw/zinc/41/24/96/870412496.db2.gz YJBOUIYSRRTPRF-UHFFFAOYSA-N -1 3 391.396 3.925 20 0 GHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Br)c(Cl)c2)[n-]c1=O ZINC000193264170 870503466 /nfs/dbraw/zinc/50/34/66/870503466.db2.gz WVLPQZUAFBOKCC-RMKNXTFCSA-N -1 3 397.656 3.923 20 0 GHADHM CCc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2NC(C)=O)c1 ZINC000538741180 870509215 /nfs/dbraw/zinc/50/92/15/870509215.db2.gz DQYDXZNFGDNYMP-UHFFFAOYSA-N -1 3 377.238 3.928 20 0 GHADHM CSc1nc(Cl)c(C(=O)[N-]c2cc(-c3ccncc3)no2)c(Cl)n1 ZINC001192618403 870565742 /nfs/dbraw/zinc/56/57/42/870565742.db2.gz MFBRVRUNKZFXLV-UHFFFAOYSA-N -1 3 382.232 3.808 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(Br)s1 ZINC001192625502 870573457 /nfs/dbraw/zinc/57/34/57/870573457.db2.gz OXKMHBYGHWUUNE-GXSJLCMTSA-N -1 3 392.727 3.998 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)C(F)(F)F ZINC001192789360 870666145 /nfs/dbraw/zinc/66/61/45/870666145.db2.gz SWFKWDVXEQLVNX-NSHDSACASA-N -1 3 377.359 3.634 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1F)c1cnccc1Cl ZINC001192929998 870795776 /nfs/dbraw/zinc/79/57/76/870795776.db2.gz ODQIJYRCPWBFCT-KRWDZBQOSA-N -1 3 398.887 3.710 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C1CCC(F)CC1 ZINC001193040015 870833571 /nfs/dbraw/zinc/83/35/71/870833571.db2.gz FRWSMKCKEMJBOV-IDKOKCKLSA-N -1 3 388.814 3.949 20 0 GHADHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C(C)C)cc1Br ZINC001193052299 870874981 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CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1F ZINC000103057968 871156752 /nfs/dbraw/zinc/15/67/52/871156752.db2.gz UNMDAGSAGBTIOD-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM CN(C(=O)c1ccncc1)c1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000463214946 871165367 /nfs/dbraw/zinc/16/53/67/871165367.db2.gz RNCRITMTBKTDIV-UHFFFAOYSA-N -1 3 392.365 3.952 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccsc1)c1cc(Cl)ccc1Br ZINC001193581664 871172378 /nfs/dbraw/zinc/17/23/78/871172378.db2.gz NRQIEFCAFZKSJA-CMPLNLGQSA-N -1 3 392.727 3.998 20 0 GHADHM COc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(C(=O)NC2CC2)c1 ZINC000857709630 882488559 /nfs/dbraw/zinc/48/85/59/882488559.db2.gz BJCZDMHMZONCKE-UHFFFAOYSA-N -1 3 394.349 3.564 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(C)(F)F ZINC001193677853 871229304 /nfs/dbraw/zinc/22/93/04/871229304.db2.gz ALAQBRPMTWSJJF-UHFFFAOYSA-N -1 3 379.322 3.684 20 0 GHADHM Cc1ccc(C)c(N2CCN(C(=O)c3ccc([O-])cc3C(F)(F)F)CC2)c1 ZINC001193734052 871252412 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Cc1cc(O)cc([O-])c1C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC001193936592 871380733 /nfs/dbraw/zinc/38/07/33/871380733.db2.gz OYBPYYDASWATCD-LLVKDONJSA-N -1 3 376.250 3.756 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001193911592 871391569 /nfs/dbraw/zinc/39/15/69/871391569.db2.gz LHDHIDYWUIQVEX-UHFFFAOYSA-N -1 3 376.315 3.915 20 0 GHADHM CCCC[C@H](CC)COC(=O)Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001193951485 871397211 /nfs/dbraw/zinc/39/72/11/871397211.db2.gz RSXBGOTXVUXQFE-AWEZNQCLSA-N -1 3 383.489 3.889 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001193946103 871423999 /nfs/dbraw/zinc/42/39/99/871423999.db2.gz OMOVBFRDQOKUPD-OAHLLOKOSA-N -1 3 398.459 3.502 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000640301593 882510035 /nfs/dbraw/zinc/51/00/35/882510035.db2.gz DFYNBKUQMORAIB-QMMMGPOBSA-N -1 3 392.731 3.717 20 0 GHADHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]3CCCC3(F)F)cc21 ZINC001194110141 871482833 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COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(-c3ncco3)c1)c2=O ZINC000540562016 871593036 /nfs/dbraw/zinc/59/30/36/871593036.db2.gz HKRDQNXPKKVFGH-UHFFFAOYSA-N -1 3 379.347 3.583 20 0 GHADHM O=C(CNC(=O)c1cc([O-])cc(Br)c1)c1cc(Cl)ccc1F ZINC001169648049 871714119 /nfs/dbraw/zinc/71/41/19/871714119.db2.gz NCEJHOLKZMZRHE-UHFFFAOYSA-N -1 3 386.604 3.560 20 0 GHADHM COc1c(F)ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1F ZINC001194498821 871750462 /nfs/dbraw/zinc/75/04/62/871750462.db2.gz QNHJPRKXTWRKOT-UHFFFAOYSA-N -1 3 384.791 3.976 20 0 GHADHM O=S(=O)([N-]Cc1nc2c(s1)CCCC2)c1cc(C(F)(F)F)ccc1F ZINC001194565336 871775854 /nfs/dbraw/zinc/77/58/54/871775854.db2.gz QUEARVXBHPZDPX-UHFFFAOYSA-N -1 3 394.415 3.658 20 0 GHADHM CCC1(CC)CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000618667663 871815352 /nfs/dbraw/zinc/81/53/52/871815352.db2.gz JYVSXUFVSPHNGT-UHFFFAOYSA-N -1 3 382.508 3.502 20 0 GHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000525966986 871816233 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CCCCCOC(=O)Oc1ccc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1 ZINC001195183344 872209505 /nfs/dbraw/zinc/20/95/05/872209505.db2.gz FYVRUCZRMLRDKS-UHFFFAOYSA-N -1 3 389.408 3.544 20 0 GHADHM CCCCCOC(=O)Oc1ccc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1 ZINC001195183344 872209533 /nfs/dbraw/zinc/20/95/33/872209533.db2.gz FYVRUCZRMLRDKS-UHFFFAOYSA-N -1 3 389.408 3.544 20 0 GHADHM O=S(=O)([N-]C[C@@]1(c2ccccc2)CCCO1)c1c(Cl)cccc1Cl ZINC001195184176 872211218 /nfs/dbraw/zinc/21/12/18/872211218.db2.gz BJJOFQCLOKHMLX-QGZVFWFLSA-N -1 3 386.300 3.978 20 0 GHADHM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000447790118 872303399 /nfs/dbraw/zinc/30/33/99/872303399.db2.gz WCMICIMEKNPTEI-UHFFFAOYSA-N -1 3 397.321 3.872 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000552258449 872311726 /nfs/dbraw/zinc/31/17/26/872311726.db2.gz KCIGMJDXLYIKHG-JTQLQIEISA-N -1 3 387.789 3.818 20 0 GHADHM O=C([N-]C[C@@H]1Cc2ccccc2N1C[C@@H]1CCCC2(CCC2)O1)C(F)(F)F ZINC001195307520 872327946 /nfs/dbraw/zinc/32/79/46/872327946.db2.gz RVGJOKGMFPDTMK-HOTGVXAUSA-N -1 3 382.426 3.588 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000619153634 872361107 /nfs/dbraw/zinc/36/11/07/872361107.db2.gz SBJVHVFSCUMOTE-AOOOYVTPSA-N -1 3 392.299 3.731 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)c(C)cc1O ZINC001195378314 872377329 /nfs/dbraw/zinc/37/73/29/872377329.db2.gz ICTRWZFAYFPPRK-UHFFFAOYSA-N -1 3 381.425 3.551 20 0 GHADHM CCOC([O-])=NC(=S)Nc1cc(C)c(NC(=O)c2ccccc2)cc1OC ZINC001195491427 872443491 /nfs/dbraw/zinc/44/34/91/872443491.db2.gz WVTOCTHEAGHJHN-UHFFFAOYSA-N -1 3 387.461 3.699 20 0 GHADHM CCOC(=O)N=C([S-])Nc1cc(C)c(NC(=O)c2ccccc2)cc1OC ZINC001195491427 872443496 /nfs/dbraw/zinc/44/34/96/872443496.db2.gz WVTOCTHEAGHJHN-UHFFFAOYSA-N -1 3 387.461 3.699 20 0 GHADHM CCOC(=O)[N-]C(=S)Nc1cc(C)c(NC(=O)c2ccccc2)cc1OC ZINC001195491427 872443498 /nfs/dbraw/zinc/44/34/98/872443498.db2.gz WVTOCTHEAGHJHN-UHFFFAOYSA-N -1 3 387.461 3.699 20 0 GHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)n1 ZINC000447887651 872478080 /nfs/dbraw/zinc/47/80/80/872478080.db2.gz FNQQUYYEXACGOE-OXQOHEQNSA-N -1 3 390.487 3.599 20 0 GHADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000447873744 872501063 /nfs/dbraw/zinc/50/10/63/872501063.db2.gz IWHVNUIFVDAZKU-UHFFFAOYSA-N -1 3 382.404 3.903 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](C2CCC2)C1 ZINC000666076169 882620994 /nfs/dbraw/zinc/62/09/94/882620994.db2.gz MIQPNBYARHUELR-GFCCVEGCSA-N -1 3 375.266 3.553 20 0 GHADHM O=S(=O)(Nc1cc(Cl)c(F)cc1Br)c1ccc([O-])cc1 ZINC001195754799 872610343 /nfs/dbraw/zinc/61/03/43/872610343.db2.gz AISLVQDEPCHGKP-UHFFFAOYSA-N -1 3 380.622 3.748 20 0 GHADHM CC(C)O[C@@H]1C[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1(C)C ZINC000463807741 872624106 /nfs/dbraw/zinc/62/41/06/872624106.db2.gz VPQMAZBHRDFLAE-HUUCEWRRSA-N -1 3 385.302 3.546 20 0 GHADHM COc1cnc(C(=O)[N-]c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)o1 ZINC001195800845 872672057 /nfs/dbraw/zinc/67/20/57/872672057.db2.gz MPFNRGROAOESRB-UHFFFAOYSA-N -1 3 389.770 3.980 20 0 GHADHM CN(Cc1ccccc1NC(=O)c1cccc2n[n-]nc21)C(=O)c1cccs1 ZINC000527109002 872673146 /nfs/dbraw/zinc/67/31/46/872673146.db2.gz CYAAMWMPLKDBLS-UHFFFAOYSA-N -1 3 391.456 3.544 20 0 GHADHM O=S(=O)(NC1(Cc2ccccc2C(F)(F)F)CCC1)c1ccc([O-])cc1 ZINC001195835268 872704013 /nfs/dbraw/zinc/70/40/13/872704013.db2.gz KGEFJTCYUOUDME-UHFFFAOYSA-N -1 3 385.407 3.855 20 0 GHADHM O=C1[N-]C(=O)/C(=C\NCc2ccc(Br)cc2Cl)c2ccccc21 ZINC000921164444 882646651 /nfs/dbraw/zinc/64/66/51/882646651.db2.gz DLBORPPDWLINRW-ZROIWOOFSA-N -1 3 391.652 3.503 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCOc2ccccc21 ZINC000122538237 882648035 /nfs/dbraw/zinc/64/80/35/882648035.db2.gz GZGGDWXSWBTXAW-CYBMUJFWSA-N -1 3 391.265 3.520 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OCc1ccccc1)c1ccc(Cl)cn1 ZINC001196259391 872974774 /nfs/dbraw/zinc/97/47/74/872974774.db2.gz WJCZMSDDKZTIHW-UHFFFAOYSA-N -1 3 388.876 3.793 20 0 GHADHM COc1cccc(Cn2c3ccccc3nc2NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527356438 873074870 /nfs/dbraw/zinc/07/48/70/873074870.db2.gz ANMUOXQXVHYUAH-UHFFFAOYSA-N -1 3 398.426 3.617 20 0 GHADHM CC(C)c1cccnc1NC(=O)c1cc([O-])cc(I)c1 ZINC001196400476 873075753 /nfs/dbraw/zinc/07/57/53/873075753.db2.gz AWZKDLNSJJQWMQ-UHFFFAOYSA-N -1 3 382.201 3.768 20 0 GHADHM O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cccc2n[n-]nc21 ZINC000527364711 873086178 /nfs/dbraw/zinc/08/61/78/873086178.db2.gz DXWQXMPAJBPZAT-AWEZNQCLSA-N -1 3 389.484 3.617 20 0 GHADHM CN(C(=O)c1cc([O-])cc(I)c1)[C@@H]1CCc2ccccc21 ZINC001196416852 873101161 /nfs/dbraw/zinc/10/11/61/873101161.db2.gz DZVNWDVJJYLQPG-MRXNPFEDSA-N -1 3 393.224 3.756 20 0 GHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc(C2CC2)cs1 ZINC000122888231 882689212 /nfs/dbraw/zinc/68/92/12/882689212.db2.gz XGDHHXUIVCXREY-UHFFFAOYSA-N -1 3 377.318 3.947 20 0 GHADHM COC(=O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)nc1C1CC1 ZINC000527464739 873164521 /nfs/dbraw/zinc/16/45/21/873164521.db2.gz GJXKJNFIMYUTQI-UHFFFAOYSA-N -1 3 376.412 3.534 20 0 GHADHM O=C(Nc1ncccc1[O-])c1cccnc1Oc1ccc(Br)cc1 ZINC000541236947 873195564 /nfs/dbraw/zinc/19/55/64/873195564.db2.gz CIAVLDKWJKCVSV-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC2CCOCC2)c2ccccc2)c1 ZINC001196797575 873367130 /nfs/dbraw/zinc/36/71/30/873367130.db2.gz OKFALQPMUSLUMA-IBGZPJMESA-N -1 3 393.480 3.671 20 0 GHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](OCc3ccccc3)CC2)c1 ZINC001196797574 873367364 /nfs/dbraw/zinc/36/73/64/873367364.db2.gz OJSYKJDUVVUKBG-CALCHBBNSA-N -1 3 393.480 3.641 20 0 GHADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000464185243 873369197 /nfs/dbraw/zinc/36/91/97/873369197.db2.gz LWDWYWSKDLFLJT-UHFFFAOYSA-N -1 3 393.848 3.564 20 0 GHADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000448491311 873476315 /nfs/dbraw/zinc/47/63/15/873476315.db2.gz GVRSAUJMRWQVDN-UHFFFAOYSA-N -1 3 375.359 3.923 20 0 GHADHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000541386909 873491113 /nfs/dbraw/zinc/49/11/13/873491113.db2.gz OTGSXBSKZNUVEN-KBPBESRZSA-N -1 3 383.819 3.595 20 0 GHADHM COc1cc(C(=O)O[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)cc(OC)c1[O-] ZINC000768793695 873584877 /nfs/dbraw/zinc/58/48/77/873584877.db2.gz QGXMHELTRJOIKA-HNNXBMFYSA-N -1 3 396.798 3.559 20 0 GHADHM COC(=O)C=Cc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(C)=O)c1 ZINC001197115944 873608614 /nfs/dbraw/zinc/60/86/14/873608614.db2.gz SQQLENGSIINWQL-MDZDMXLPSA-N -1 3 393.848 3.530 20 0 GHADHM O=C([N-]c1cc(-c2ccc(Cl)s2)on1)c1ncn(Cc2ccccc2)n1 ZINC001197177026 873640425 /nfs/dbraw/zinc/64/04/25/873640425.db2.gz KEILTRCKTBMMEQ-UHFFFAOYSA-N -1 3 385.836 3.949 20 0 GHADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000541457141 873641502 /nfs/dbraw/zinc/64/15/02/873641502.db2.gz OUBFQVIMAIUPNW-MRXNPFEDSA-N -1 3 382.288 3.840 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[n-]n1 ZINC001197191353 873641920 /nfs/dbraw/zinc/64/19/20/873641920.db2.gz FITOVNKXUBZDIA-UHFFFAOYSA-N -1 3 386.235 3.933 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[n-]1 ZINC001197191353 873641922 /nfs/dbraw/zinc/64/19/22/873641922.db2.gz FITOVNKXUBZDIA-UHFFFAOYSA-N -1 3 386.235 3.933 20 0 GHADHM CC(C)(c1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1)C(F)(F)F ZINC000768973634 873715805 /nfs/dbraw/zinc/71/58/05/873715805.db2.gz KIDHRLGTMGDVOD-UHFFFAOYSA-N -1 3 399.390 3.701 20 0 GHADHM CCN(c1ccccc1)c1ccc(CNC(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000541504043 873732060 /nfs/dbraw/zinc/73/20/60/873732060.db2.gz NRSXMMQSTYTXNJ-UHFFFAOYSA-N -1 3 391.475 3.648 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(Cc2ccc(F)cc2)c1 ZINC001197453793 873839548 /nfs/dbraw/zinc/83/95/48/873839548.db2.gz JLBIIOCHAIFFQV-UHFFFAOYSA-N -1 3 390.212 3.791 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000134168844 882765988 /nfs/dbraw/zinc/76/59/88/882765988.db2.gz QPMADHVZRHRPBO-QGZVFWFLSA-N -1 3 398.356 3.562 20 0 GHADHM CC(C)CNC(=O)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1Cl ZINC000448744836 873879445 /nfs/dbraw/zinc/87/94/45/873879445.db2.gz BOJIZFSFLGRSEU-UHFFFAOYSA-N -1 3 378.831 3.752 20 0 GHADHM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cnc(Br)c(F)c1 ZINC001197648908 873946035 /nfs/dbraw/zinc/94/60/35/873946035.db2.gz CEGNEXBREFBEGS-UHFFFAOYSA-N -1 3 397.628 3.718 20 0 GHADHM C[C@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448775445 873951087 /nfs/dbraw/zinc/95/10/87/873951087.db2.gz ROYFFJWNKXZEHD-GFCCVEGCSA-N -1 3 380.257 3.974 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000104115691 874125661 /nfs/dbraw/zinc/12/56/61/874125661.db2.gz VGKXBTCPZUBULW-UHFFFAOYSA-N -1 3 398.426 3.621 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000104115691 874125664 /nfs/dbraw/zinc/12/56/64/874125664.db2.gz VGKXBTCPZUBULW-UHFFFAOYSA-N -1 3 398.426 3.621 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000769559858 874158948 /nfs/dbraw/zinc/15/89/48/874158948.db2.gz CPYALRFEAWNQSN-UAGQMJEPSA-N -1 3 392.471 3.716 20 0 GHADHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001198056092 874180316 /nfs/dbraw/zinc/18/03/16/874180316.db2.gz SVTGVHIQEUYOAT-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000541751350 874211009 /nfs/dbraw/zinc/21/10/09/874211009.db2.gz YRWHGFFOVSEHSV-LBPRGKRZSA-N -1 3 385.261 3.824 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1cccc(F)c1)c1cccc(Cl)n1 ZINC001198259784 874290382 /nfs/dbraw/zinc/29/03/82/874290382.db2.gz MUVIFCJBLXIKKD-INIZCTEOSA-N -1 3 398.887 3.710 20 0 GHADHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc([O-])cc(Br)c1 ZINC000528350449 874449734 /nfs/dbraw/zinc/44/97/34/874449734.db2.gz CEUPVYQYAXFNOZ-SJORKVTESA-N -1 3 376.250 3.805 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc(NC4CC4)s3)nc(=O)c2c1C ZINC000770094108 874454754 /nfs/dbraw/zinc/45/47/54/874454754.db2.gz NBJVWCYBBBPDRD-MRVPVSSYSA-N -1 3 390.490 3.963 20 0 GHADHM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775916287 874681178 /nfs/dbraw/zinc/68/11/78/874681178.db2.gz AJLRCQJPKLMTMU-UITAMQMPSA-N -1 3 398.694 3.739 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)ccc2Cl)c(C)c1 ZINC001198913563 874705511 /nfs/dbraw/zinc/70/55/11/874705511.db2.gz BDHNNUQHVBNWPR-UHFFFAOYSA-N -1 3 380.775 3.872 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c(C)c1 ZINC001198950700 874744881 /nfs/dbraw/zinc/74/48/81/874744881.db2.gz KCUVEBFSXJQLMP-UHFFFAOYSA-N -1 3 395.452 3.899 20 0 GHADHM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775929106 874786486 /nfs/dbraw/zinc/78/64/86/874786486.db2.gz IZYUWVCLPVWJRT-LBPRGKRZSA-N -1 3 379.840 3.711 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c(C)c1F ZINC000542094724 874938865 /nfs/dbraw/zinc/93/88/65/874938865.db2.gz XFPJXCHLMGFGCX-UHFFFAOYSA-N -1 3 395.843 3.783 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C[C@H](O)c3ccc(F)cc3)C3CC3)nc2)n1 ZINC000771164430 875059576 /nfs/dbraw/zinc/05/95/76/875059576.db2.gz SOAYBBDHRGWVBF-IBGZPJMESA-N -1 3 394.450 3.648 20 0 GHADHM C[C@@]1(c2ccccc2)CN(C(=O)c2cc([O-])cc(Br)c2)CCO1 ZINC000528831153 875112207 /nfs/dbraw/zinc/11/22/07/875112207.db2.gz VFBSQVWIPYEBNK-SFHVURJKSA-N -1 3 376.250 3.543 20 0 GHADHM CCCCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000303157433 875129309 /nfs/dbraw/zinc/12/93/09/875129309.db2.gz WQPXVMQYFLCLKK-UHFFFAOYSA-N -1 3 386.926 3.661 20 0 GHADHM O=c1cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c2ccc([O-])cc2o1 ZINC000771461340 875258894 /nfs/dbraw/zinc/25/88/94/875258894.db2.gz FIYIDJLLYGDOLA-UHFFFAOYSA-N -1 3 391.423 3.559 20 0 GHADHM O=S(=O)([N-]CCSCc1ccnc(Cl)c1)c1cc(F)ccc1Cl ZINC000771480531 875282364 /nfs/dbraw/zinc/28/23/64/875282364.db2.gz NIECLMSHBLWPFG-UHFFFAOYSA-N -1 3 395.308 3.739 20 0 GHADHM CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc2sccc2c([O-])c1 ZINC000804466489 882916931 /nfs/dbraw/zinc/91/69/31/882916931.db2.gz ATVPJZVZKLIIND-UHFFFAOYSA-N -1 3 379.441 3.972 20 0 GHADHM Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cccc1N(C)C ZINC000776091335 875323100 /nfs/dbraw/zinc/32/31/00/875323100.db2.gz HDKGSWLRCAJUQY-UHFFFAOYSA-N -1 3 388.411 3.803 20 0 GHADHM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000921375522 882926399 /nfs/dbraw/zinc/92/63/99/882926399.db2.gz WBWRUDRHEZBRIA-ITDIGPHOSA-N -1 3 375.266 3.599 20 0 GHADHM Cc1ncc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(=O)[n-]1 ZINC000542385858 875483604 /nfs/dbraw/zinc/48/36/04/875483604.db2.gz BTOAZYCMBUFFNZ-UHFFFAOYSA-N -1 3 386.411 3.743 20 0 GHADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)C1CC1 ZINC001201047567 875490644 /nfs/dbraw/zinc/49/06/44/875490644.db2.gz CAPKNNWVZQHFHB-OAHLLOKOSA-N -1 3 399.285 3.721 20 0 GHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC(F)F)ccc2C)c(C)c1 ZINC000465387051 875613868 /nfs/dbraw/zinc/61/38/68/875613868.db2.gz LQZBCDBAOKPYNE-UHFFFAOYSA-N -1 3 396.459 3.716 20 0 GHADHM O=C(CCc1ccc2c(c1)OCCO2)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746529643 875770094 /nfs/dbraw/zinc/77/00/94/875770094.db2.gz XZNJLIKUYGKOCD-UHFFFAOYSA-N -1 3 381.350 3.657 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(F)cc1 ZINC001201799093 875865986 /nfs/dbraw/zinc/86/59/86/875865986.db2.gz ZVLGKYGXLODWOQ-GOSISDBHSA-N -1 3 393.480 3.560 20 0 GHADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cccc(F)c1Br ZINC001201789171 875885536 /nfs/dbraw/zinc/88/55/36/875885536.db2.gz XXNSEAOFPHNWRE-UHFFFAOYSA-N -1 3 396.640 3.859 20 0 GHADHM CCSc1nnc([N-]C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)s1 ZINC000491722671 875921999 /nfs/dbraw/zinc/92/19/99/875921999.db2.gz RYUMJMGQHHVUAX-UHFFFAOYSA-N -1 3 394.913 3.753 20 0 GHADHM CCc1cc2c(CNc3ccc(O[C@@H]4CCOC4)cc3)cc(=O)oc2cc1[O-] ZINC000151863668 876034495 /nfs/dbraw/zinc/03/44/95/876034495.db2.gz ZGYODTRKGDFMCQ-GOSISDBHSA-N -1 3 381.428 3.841 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000529405511 876085699 /nfs/dbraw/zinc/08/56/99/876085699.db2.gz YGYPPGXORRHWKJ-MRXNPFEDSA-N -1 3 380.238 3.569 20 0 GHADHM CC(C)[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000786030360 876416401 /nfs/dbraw/zinc/41/64/01/876416401.db2.gz YXHCTLQBISEYLV-LIRRHRJNSA-N -1 3 382.416 3.582 20 0 GHADHM O=C(COC(=O)c1cc2occc2[n-]1)N[C@H](c1cccs1)c1ccccc1 ZINC000786032447 876418184 /nfs/dbraw/zinc/41/81/84/876418184.db2.gz BQEGTTCKLZBXSV-IBGZPJMESA-N -1 3 380.425 3.885 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(Cl)c2C)cc1OC ZINC000192846515 883033825 /nfs/dbraw/zinc/03/38/25/883033825.db2.gz YSQPAXCVGVPYEL-UHFFFAOYSA-N -1 3 382.869 3.671 20 0 GHADHM CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nccs1 ZINC000130414179 883040601 /nfs/dbraw/zinc/04/06/01/883040601.db2.gz BLZQUMWIFUFTHD-LLVKDONJSA-N -1 3 392.278 3.628 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cc2ccccc2o1 ZINC000786471535 876702249 /nfs/dbraw/zinc/70/22/49/876702249.db2.gz PCOJBGGKWUGYSO-NSHDSACASA-N -1 3 377.393 3.861 20 0 GHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000786830456 876949678 /nfs/dbraw/zinc/94/96/78/876949678.db2.gz CSVCZZBTDWNQHU-AWEZNQCLSA-N -1 3 386.423 3.688 20 0 GHADHM CC[C@H](NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)c1ccccc1F ZINC000850576074 877044102 /nfs/dbraw/zinc/04/41/02/877044102.db2.gz GUUWRFNJDPTFIG-INIZCTEOSA-N -1 3 390.459 3.587 20 0 GHADHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3sc(C)cc3C)c(C)c2)CC1 ZINC000450964102 877136628 /nfs/dbraw/zinc/13/66/28/877136628.db2.gz BNQXCCWPNGJECR-UHFFFAOYSA-N -1 3 393.578 3.616 20 0 GHADHM CN(C)c1ccc(N2CCC(NC(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000787058994 877148412 /nfs/dbraw/zinc/14/84/12/877148412.db2.gz DPZOWFZFDZRRLH-UHFFFAOYSA-N -1 3 399.510 3.705 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1OC ZINC000530143849 877159968 /nfs/dbraw/zinc/15/99/68/877159968.db2.gz BJLGCKWZTBQPPW-UHFFFAOYSA-N -1 3 391.489 3.707 20 0 GHADHM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cc(COC)ccc2OC)c1 ZINC000451095222 877361483 /nfs/dbraw/zinc/36/14/83/877361483.db2.gz RZZJLWWPJVJVHZ-UHFFFAOYSA-N -1 3 385.869 3.695 20 0 GHADHM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000451115847 877381274 /nfs/dbraw/zinc/38/12/74/877381274.db2.gz OUPAKXPXXMTCKA-UHFFFAOYSA-N -1 3 381.519 3.546 20 0 GHADHM COCCO[N-]C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 ZINC000787409103 877401552 /nfs/dbraw/zinc/40/15/52/877401552.db2.gz KGVJINPYJWGLKN-FOWTUZBSSA-N -1 3 398.484 3.930 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000851153719 877450645 /nfs/dbraw/zinc/45/06/45/877450645.db2.gz LNIHYTURNLGLKA-JQWIXIFHSA-N -1 3 397.390 3.723 20 0 GHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000477357362 877481312 /nfs/dbraw/zinc/48/13/12/877481312.db2.gz TVKJHARDUIXBOM-UHFFFAOYSA-N -1 3 396.310 3.687 20 0 GHADHM O=S(=O)([N-]Cc1cccc(OCC(F)(F)F)c1)c1cccc(Cl)c1F ZINC000615232930 877483054 /nfs/dbraw/zinc/48/30/54/877483054.db2.gz JATQQLSKNFXQSW-UHFFFAOYSA-N -1 3 397.777 3.899 20 0 GHADHM COc1cccc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000175216763 877533419 /nfs/dbraw/zinc/53/34/19/877533419.db2.gz IPZAFDUJSCRLSM-CYBMUJFWSA-N -1 3 378.457 3.971 20 0 GHADHM O=C(NCC1(Cc2ccccc2)CCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000137351953 877536233 /nfs/dbraw/zinc/53/62/33/877536233.db2.gz UTVVRXXDMBXOTH-HXUWFJFHSA-N -1 3 392.499 3.526 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000137412711 877543797 /nfs/dbraw/zinc/54/37/97/877543797.db2.gz XGPMRNZHMWDSIZ-MRXNPFEDSA-N -1 3 397.456 3.810 20 0 GHADHM O=S(=O)([N-]Cc1ccc(OC2CCCC2)nc1)c1ccc(Cl)cc1F ZINC000615261934 877561206 /nfs/dbraw/zinc/56/12/06/877561206.db2.gz DIVIBJOSQXFRSW-UHFFFAOYSA-N -1 3 384.860 3.674 20 0 GHADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000615253328 877571852 /nfs/dbraw/zinc/57/18/52/877571852.db2.gz BPFBIXISDJXXMA-UHFFFAOYSA-N -1 3 385.816 3.821 20 0 GHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000615282851 877592384 /nfs/dbraw/zinc/59/23/84/877592384.db2.gz URMWFIMIGAOTJL-PSASIEDQSA-N -1 3 376.297 3.706 20 0 GHADHM COc1cccc(OC)c1[N-]C(=O)c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001212268441 877666002 /nfs/dbraw/zinc/66/60/02/877666002.db2.gz HOCSMKXVDYAETP-UHFFFAOYSA-N -1 3 375.331 3.593 20 0 GHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1cccc2ncccc21 ZINC000787847847 877669754 /nfs/dbraw/zinc/66/97/54/877669754.db2.gz HOFGZQAWZMXKRC-CQSZACIVSA-N -1 3 396.418 3.973 20 0 GHADHM C[C@@H](CNC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787849926 877671832 /nfs/dbraw/zinc/67/18/32/877671832.db2.gz MNUXDZPGWYKEDF-HOTGVXAUSA-N -1 3 387.451 3.706 20 0 GHADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000110056949 877788409 /nfs/dbraw/zinc/78/84/09/877788409.db2.gz KLWNVJSIZRJBPA-UHFFFAOYSA-N -1 3 387.443 3.544 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1OC(F)F)c1ccc(Cl)nc1Cl ZINC000788073659 877822610 /nfs/dbraw/zinc/82/26/10/877822610.db2.gz CCOHXKSJFKGLAX-UHFFFAOYSA-N -1 3 397.230 3.511 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)o1 ZINC000175656955 877827204 /nfs/dbraw/zinc/82/72/04/877827204.db2.gz QFSKRQZEKSQABZ-UHFFFAOYSA-N -1 3 399.472 3.961 20 0 GHADHM Cc1cc(C)n(-c2ccc(CNC(=O)c3cc4sccc4c([O-])c3)cn2)n1 ZINC000788284259 877994022 /nfs/dbraw/zinc/99/40/22/877994022.db2.gz WWWJHMQDAYPQPS-UHFFFAOYSA-N -1 3 378.457 3.734 20 0 GHADHM CN(C)c1cccc(C(=O)N[N-]C(=O)c2sccc2-c2ccc(F)cc2)c1 ZINC000068177632 878050268 /nfs/dbraw/zinc/05/02/68/878050268.db2.gz RTYRBRWIUQBUPT-UHFFFAOYSA-N -1 3 383.448 3.695 20 0 GHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000530564689 878071827 /nfs/dbraw/zinc/07/18/27/878071827.db2.gz KJYFNPWTUCVAFV-UHFFFAOYSA-N -1 3 391.353 3.992 20 0 GHADHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000513813372 878183714 /nfs/dbraw/zinc/18/37/14/878183714.db2.gz CDRBGAYOZNRIMJ-UHFFFAOYSA-N -1 3 381.425 3.509 20 0 GHADHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000537742933 878234123 /nfs/dbraw/zinc/23/41/23/878234123.db2.gz KDAUCANLGBUATI-VXGBXAGGSA-N -1 3 386.926 3.557 20 0 GHADHM O=C1CCCN1c1ccc(Cl)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000537755556 878247137 /nfs/dbraw/zinc/24/71/37/878247137.db2.gz MDAPPRVWGDOATP-UHFFFAOYSA-N -1 3 386.761 3.593 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cc3c(cccc3OC(F)F)[nH]2)c([O-])c1 ZINC000537822977 878342757 /nfs/dbraw/zinc/34/27/57/878342757.db2.gz NOGBDSNEDCXNSG-UHFFFAOYSA-N -1 3 390.342 3.904 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000530728936 878357879 /nfs/dbraw/zinc/35/78/79/878357879.db2.gz SRMBISNFMZCFEO-OXQOHEQNSA-N -1 3 384.480 3.730 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(Cl)c1F ZINC000616019766 878393183 /nfs/dbraw/zinc/39/31/83/878393183.db2.gz AYMITTHOTMDVJG-GOSISDBHSA-N -1 3 397.855 3.680 20 0 GHADHM O=C(COC(=O)c1ccc(Oc2ccc(F)cc2)cc1)[N-]C(=O)c1cccs1 ZINC000008522781 878640712 /nfs/dbraw/zinc/64/07/12/878640712.db2.gz MOQCUXIOZIVQSP-UHFFFAOYSA-N -1 3 399.399 3.793 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000616211452 878661982 /nfs/dbraw/zinc/66/19/82/878661982.db2.gz CBCFGFLMQNAMIP-HNNXBMFYSA-N -1 3 389.439 3.935 20 0 GHADHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)c1 ZINC000493177438 878680869 /nfs/dbraw/zinc/68/08/69/878680869.db2.gz CHVZGNWWXZPNLB-UHFFFAOYSA-N -1 3 398.532 3.922 20 0 GHADHM C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000180308263 878763761 /nfs/dbraw/zinc/76/37/61/878763761.db2.gz BOUSOWBHEGQNSE-SKDRFNHKSA-N -1 3 393.119 3.653 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1OC(F)F ZINC000853041871 878766738 /nfs/dbraw/zinc/76/67/38/878766738.db2.gz YOVZJNPFQPMYCJ-UHFFFAOYSA-N -1 3 385.388 3.639 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000530916338 878767345 /nfs/dbraw/zinc/76/73/45/878767345.db2.gz BWBFWXWVTMYCBW-UHFFFAOYSA-N -1 3 376.185 3.936 20 0 GHADHM Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1NC(=O)OC(C)(C)C ZINC000853046073 878768925 /nfs/dbraw/zinc/76/89/25/878768925.db2.gz RPYIDIPXGSVEIY-LBPRGKRZSA-N -1 3 387.358 3.719 20 0 GHADHM Cc1c[nH]cc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000531036591 878969211 /nfs/dbraw/zinc/96/92/11/878969211.db2.gz RZWABRQWQUOBLM-UHFFFAOYSA-N -1 3 379.645 3.803 20 0 GHADHM O=C([N-]CCCN1CCC[C@@H]1c1cccc(Br)c1)C(F)(F)F ZINC000180570058 879056220 /nfs/dbraw/zinc/05/62/20/879056220.db2.gz PFTGHXUSKZECGF-CYBMUJFWSA-N -1 3 379.220 3.655 20 0 GHADHM CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1c2ccccc2-c2ccccc21 ZINC000178352561 879091121 /nfs/dbraw/zinc/09/11/21/879091121.db2.gz GZLCAHRPADCOQJ-UHFFFAOYSA-N -1 3 383.407 3.804 20 0 GHADHM CC(C)c1ccc2ncnc(N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000853637021 879195797 /nfs/dbraw/zinc/19/57/97/879195797.db2.gz MCIVSLMWAGAONX-CYBMUJFWSA-N -1 3 380.414 3.648 20 0 GHADHM CCCCc1nc(NC(=O)c2cc3cccc(OC)c3o2)c(C(=O)OCC)[n-]1 ZINC000616915036 879262388 /nfs/dbraw/zinc/26/23/88/879262388.db2.gz LEXCKKMSWLIEHQ-UHFFFAOYSA-N -1 3 385.420 3.936 20 0 GHADHM CCc1cccc(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)c1[O-] ZINC000531195885 879341020 /nfs/dbraw/zinc/34/10/20/879341020.db2.gz ZIDQYEOUWZDXNK-UHFFFAOYSA-N -1 3 375.490 3.966 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN[C@@H](C)C(=O)[O-] ZINC000789898964 879346083 /nfs/dbraw/zinc/34/60/83/879346083.db2.gz RCHCSRUJHYITLJ-VIFPVBQESA-N -1 3 376.671 3.763 20 0 GHADHM COc1ccc(Cn2cc([N-]S(=O)(=O)/C=C\c3ccc(C)cc3)cn2)cc1 ZINC000790088425 879455992 /nfs/dbraw/zinc/45/59/92/879455992.db2.gz BLDMUOYFKVISIF-QXMHVHEDSA-N -1 3 383.473 3.661 20 0 GHADHM CC(C)CNC(=O)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000746881237 879468002 /nfs/dbraw/zinc/46/80/02/879468002.db2.gz JTJOYPXAIAWEBV-UHFFFAOYSA-N -1 3 396.487 3.809 20 0 GHADHM CC(C)(C[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C(N)=O ZINC000452454348 879468731 /nfs/dbraw/zinc/46/87/31/879468731.db2.gz YXQJQXWIGQRJRL-MRXNPFEDSA-N -1 3 396.487 3.938 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCc2ccc(C)cc2)cc1OC ZINC000617219622 879534803 /nfs/dbraw/zinc/53/48/03/879534803.db2.gz FGIAOIIXZYSPRT-UHFFFAOYSA-N -1 3 390.505 3.727 20 0 GHADHM 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388.514 3.519 20 0 GHADHM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000494171781 879970082 /nfs/dbraw/zinc/97/00/82/879970082.db2.gz RNGCNICOCYNAOH-UHFFFAOYSA-N -1 3 387.505 3.713 20 0 GHADHM COc1ccc(OC)c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000005071543 880236198 /nfs/dbraw/zinc/23/61/98/880236198.db2.gz GBUGJTFZMGDOBJ-JTQLQIEISA-N -1 3 388.445 3.537 20 0 GHADHM CCN1C(=S)N=NC1C1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000791358121 880367428 /nfs/dbraw/zinc/36/74/28/880367428.db2.gz FTQSQXCDAFTOHF-UHFFFAOYSA-N -1 3 388.518 3.527 20 0 GHADHM CC(C)C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1nccs1 ZINC000791393451 880382504 /nfs/dbraw/zinc/38/25/04/880382504.db2.gz RCIKINNVJWDDTH-ZDUSSCGKSA-N -1 3 389.502 3.847 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)c(F)cc1F ZINC000184970891 880435013 /nfs/dbraw/zinc/43/50/13/880435013.db2.gz AJPTUVMPPOOHIX-UHFFFAOYSA-N -1 3 376.290 3.798 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000531775121 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnn3C3CCCC3)c2)n1 ZINC000531946133 880803917 /nfs/dbraw/zinc/80/39/17/880803917.db2.gz UZEBVYGWXMJWJE-UHFFFAOYSA-N -1 3 377.448 3.976 20 0 GHADHM CC1(C)CC[C@H](COC(=O)c2n[n-]c(-c3ccccc3)c2Br)O1 ZINC000792027738 880866377 /nfs/dbraw/zinc/86/63/77/880866377.db2.gz LPLWVWNBZFJMRP-GFCCVEGCSA-N -1 3 379.254 3.954 20 0 GHADHM CN(C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1)C(=O)OC(C)(C)C ZINC000792148361 880941028 /nfs/dbraw/zinc/94/10/28/880941028.db2.gz TZTUESCITTZLCO-OAHLLOKOSA-N -1 3 384.476 3.874 20 0 GHADHM Cc1[n-]c(S(=O)(=O)Cc2ccc(OC(F)F)cc2)nc1-c1ccccc1 ZINC000186849889 881005078 /nfs/dbraw/zinc/00/50/78/881005078.db2.gz OAVFVMFYRJERDG-UHFFFAOYSA-N -1 3 378.400 3.960 20 0 GHADHM Cc1nc(S(=O)(=O)Cc2ccc(OC(F)F)cc2)[n-]c1-c1ccccc1 ZINC000186849889 881005092 /nfs/dbraw/zinc/00/50/92/881005092.db2.gz OAVFVMFYRJERDG-UHFFFAOYSA-N -1 3 378.400 3.960 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(-c3cnn(C)c3)c2)c(C(=O)OCC)[n-]1 ZINC000792556845 881191097 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O=C(Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1)c1cn[n-]n1 ZINC000195225785 883229870 /nfs/dbraw/zinc/22/98/70/883229870.db2.gz SYELGKYSFVPZRH-UHFFFAOYSA-N -1 3 377.429 3.760 20 0 GHADHM CC[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccc(C)cc1 ZINC000195332971 883283407 /nfs/dbraw/zinc/28/34/07/883283407.db2.gz BJCQCKWMSSGVAJ-HXUWFJFHSA-N -1 3 390.487 3.649 20 0 GHADHM CCCNC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1Cl ZINC000747212492 883327631 /nfs/dbraw/zinc/32/76/31/883327631.db2.gz CWZAUCYDLYXWLS-UHFFFAOYSA-N -1 3 390.871 3.660 20 0 GHADHM O=c1[n-]c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)nc2c3ccccc3oc21 ZINC000053369650 883358622 /nfs/dbraw/zinc/35/86/22/883358622.db2.gz YKQUGQUWGJOXAG-QGZVFWFLSA-N -1 3 395.846 3.896 20 0 GHADHM Cc1cn2cc([N-]S(=O)(=O)c3cccc(Br)c3C)ccc2n1 ZINC000476919099 883399549 /nfs/dbraw/zinc/39/95/49/883399549.db2.gz GLTGVYFDGZEPTF-UHFFFAOYSA-N -1 3 380.267 3.514 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135549032 883439845 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GHADHM Cc1nc(C)c(CCC(=O)Nc2nc3ccccc3n2CCC(C)C)c(=O)[n-]1 ZINC001126660921 883923041 /nfs/dbraw/zinc/92/30/41/883923041.db2.gz ZQEKTZYIEGGKIO-UHFFFAOYSA-N -1 3 381.480 3.766 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000476179048 884213655 /nfs/dbraw/zinc/21/36/55/884213655.db2.gz VEFQBXRYWVOKKC-STQMWFEESA-N -1 3 379.334 3.924 20 0 GHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000476182164 884223053 /nfs/dbraw/zinc/22/30/53/884223053.db2.gz YMYKDWYYGLKJPZ-UHFFFAOYSA-N -1 3 375.306 3.826 20 0 GHADHM CC(C)c1cccc(NC(=S)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000918726337 884233035 /nfs/dbraw/zinc/23/30/35/884233035.db2.gz DRJPWMTZKGKAQR-UHFFFAOYSA-N -1 3 383.517 3.670 20 0 GHADHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000476209697 884251925 /nfs/dbraw/zinc/25/19/25/884251925.db2.gz VTUCDODDHAUTQU-UHFFFAOYSA-N -1 3 389.458 3.640 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCc1noc(-c2ccccc2[O-])n1 ZINC000783764573 884264568 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Cc1cccc(NC(=O)CN(C)Cc2cccc([O-])c2Br)c1C ZINC000459279954 887011142 /nfs/dbraw/zinc/01/11/42/887011142.db2.gz AIGRTMOFOPHXQW-UHFFFAOYSA-N -1 3 377.282 3.842 20 0 GHADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000127892644 887116404 /nfs/dbraw/zinc/11/64/04/887116404.db2.gz GJKDOPRTWOJHQU-CQSZACIVSA-N -1 3 396.878 3.556 20 0 GHADHM COc1ccc([C@@H]2CCN(CCOc3ccc(/C=C\C(=O)[O-])cc3)C2)cc1F ZINC000863476476 887140844 /nfs/dbraw/zinc/14/08/44/887140844.db2.gz FVYVFNZNJWSKSR-WMTBXTEMSA-N -1 3 385.435 3.800 20 0 GHADHM CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459332254 887446283 /nfs/dbraw/zinc/44/62/83/887446283.db2.gz XOOOHCYRGSZJJS-ZDUSSCGKSA-N -1 3 383.330 3.527 20 0 GHADHM CSc1cc(Cl)c(C(F)(F)F)cc1[N-]C(=O)c1ccn2nnnc2c1 ZINC001131811294 887687001 /nfs/dbraw/zinc/68/70/01/887687001.db2.gz NXUAACQRVMJVRM-UHFFFAOYSA-N -1 3 387.774 3.771 20 0 GHADHM O=S(=O)([N-]Cc1ccc(Br)s1)c1cccc(Cl)c1F ZINC000032433168 887705291 /nfs/dbraw/zinc/70/52/91/887705291.db2.gz NBHCWQYAGXXQME-UHFFFAOYSA-N -1 3 384.679 3.782 20 0 GHADHM Cn1ccc(-c2nc(-c3nc(=O)c4c5c(sc4[n-]3)CSCC5)cs2)n1 ZINC000864357356 887722849 /nfs/dbraw/zinc/72/28/49/887722849.db2.gz XCRJFHYSOWNSCR-UHFFFAOYSA-N -1 3 387.515 3.710 20 0 GHADHM CCS[C@@H](C)c1noc(CN(C)Cc2cccc([O-])c2Br)n1 ZINC000459366192 887734438 /nfs/dbraw/zinc/73/44/38/887734438.db2.gz UEBWHYMBFRDVRJ-JTQLQIEISA-N -1 3 386.315 3.984 20 0 GHADHM Cc1ccnc(CNC[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c1Br ZINC000864504872 887809925 /nfs/dbraw/zinc/80/99/25/887809925.db2.gz RKEVKLTVWDWTRZ-ZDUSSCGKSA-N -1 3 397.700 3.839 20 0 GHADHM COc1ccc(C[C@@H](CNCc2csc(C(C)(C)C)n2)C(=O)[O-])cc1F ZINC000864531345 887835023 /nfs/dbraw/zinc/83/50/23/887835023.db2.gz BTFPKJSDXPSDGL-ZDUSSCGKSA-N -1 3 380.485 3.621 20 0 GHADHM O=S(=O)([N-]Cc1cnc(Cl)s1)c1cc(Cl)ccc1C(F)(F)F ZINC000809850604 887866993 /nfs/dbraw/zinc/86/69/93/887866993.db2.gz QQVBBVOYWBBFMU-UHFFFAOYSA-N -1 3 391.223 3.947 20 0 GHADHM COCCC[C@@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000794735444 887971275 /nfs/dbraw/zinc/97/12/75/887971275.db2.gz ICMDRTHVZSWVLI-RZKQZQCBSA-N -1 3 398.890 3.751 20 0 GHADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3cc(OC)cnc3F)on2)c1 ZINC001132111345 888244484 /nfs/dbraw/zinc/24/44/84/888244484.db2.gz VHJCCDOHOSVMGM-UHFFFAOYSA-N -1 3 377.759 3.799 20 0 GHADHM CC[C@H](COCC(F)(F)F)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454277964 888333430 /nfs/dbraw/zinc/33/34/30/888333430.db2.gz WAHRLQNKOMGEDV-CYBMUJFWSA-N -1 3 398.385 3.637 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1CNC(=O)OC(C)(C)C ZINC000810555149 888614335 /nfs/dbraw/zinc/61/43/35/888614335.db2.gz VYZDRWJCTKLUHD-WBMJQRKESA-N -1 3 382.888 3.811 20 0 GHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c(C)c1 ZINC000747608741 888638030 /nfs/dbraw/zinc/63/80/30/888638030.db2.gz LJXZLEIQFBVECW-UHFFFAOYSA-N -1 3 395.452 3.900 20 0 GHADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000794876390 888652041 /nfs/dbraw/zinc/65/20/41/888652041.db2.gz UOTQDKMRYBFDRQ-TZMCWYRMSA-N -1 3 387.307 3.940 20 0 GHADHM O=c1[n-]c(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)nc2c1COCC2 ZINC000866629335 888983120 /nfs/dbraw/zinc/98/31/20/888983120.db2.gz ZVRXXWMBRDTTBA-FQEVSTJZSA-N -1 3 395.890 3.982 20 0 GHADHM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810901157 889010304 /nfs/dbraw/zinc/01/03/04/889010304.db2.gz OSGVWVQFTGAEBZ-RDJZCZTQSA-N -1 3 398.469 3.906 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1csc(I)c1 ZINC000532837637 889055362 /nfs/dbraw/zinc/05/53/62/889055362.db2.gz QSAWSUOKSGJCNW-UHFFFAOYSA-N -1 3 379.606 3.964 20 0 GHADHM O=c1[n-]c(SC[C@@H]2C[C@@]23CCOC3)nc2c1cnn2-c1cccc(Cl)c1 ZINC000916563027 889129448 /nfs/dbraw/zinc/12/94/48/889129448.db2.gz OEJXIQWTBIBKEL-BBATYDOGSA-N -1 3 388.880 3.693 20 0 GHADHM C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532880879 889151167 /nfs/dbraw/zinc/15/11/67/889151167.db2.gz BVJHTTPXEKUUIU-YNEHKIRRSA-N -1 3 387.307 3.746 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccc(Cl)nc3)cc2)cc(=O)[n-]1 ZINC000916684853 889302300 /nfs/dbraw/zinc/30/23/00/889302300.db2.gz ULPKFGMXFZDKTA-UHFFFAOYSA-N -1 3 383.839 3.870 20 0 GHADHM O=C1N(CC(F)(F)F)CC[C@@]12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)C2 ZINC001275322471 913344523 /nfs/dbraw/zinc/34/45/23/913344523.db2.gz XSAFWJDXKGVFEM-OAHLLOKOSA-N -1 3 397.224 3.686 20 0 GHADHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccc(Sc2ccccc2)cc1 ZINC000533006116 889509956 /nfs/dbraw/zinc/50/99/56/889509956.db2.gz KDZKIZCBZZOJDW-UHFFFAOYSA-N -1 3 392.480 3.590 20 0 GHADHM COC(=O)c1ccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811394263 889533230 /nfs/dbraw/zinc/53/32/30/889533230.db2.gz OBVJSBOYIIMRKQ-UHFFFAOYSA-N -1 3 377.805 3.709 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(O)cc(Br)c1 ZINC000868729290 889573908 /nfs/dbraw/zinc/57/39/08/889573908.db2.gz KEWSFGLQDDWLCE-UHFFFAOYSA-N -1 3 380.242 3.509 20 0 GHADHM COC(=O)[C@](C)(Cc1ccc(F)cc1)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC001132887499 889763164 /nfs/dbraw/zinc/76/31/64/889763164.db2.gz FHASZYHYSZADTR-IBGZPJMESA-N -1 3 379.378 3.517 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1[O-] ZINC000124833754 889783269 /nfs/dbraw/zinc/78/32/69/889783269.db2.gz SPBSEJBCRVITIF-UHFFFAOYSA-N -1 3 380.366 3.808 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(C)c1 ZINC000124939956 889821030 /nfs/dbraw/zinc/82/10/30/889821030.db2.gz PNHFOGYLBGHXIT-UHFFFAOYSA-N -1 3 380.441 3.542 20 0 GHADHM Cn1c(=O)n(C)c2cc(NC(=S)Nc3cc(Cl)cc(Cl)c3)c([O-])cc21 ZINC000811721253 889919316 /nfs/dbraw/zinc/91/93/16/889919316.db2.gz VLGSEURXGVALJR-UHFFFAOYSA-N -1 3 397.287 3.698 20 0 GHADHM CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811874013 890068371 /nfs/dbraw/zinc/06/83/71/890068371.db2.gz GDYJKDRLTYVATB-AWEZNQCLSA-N -1 3 379.467 3.547 20 0 GHADHM CCCCC1CCC(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812013295 890203145 /nfs/dbraw/zinc/20/31/45/890203145.db2.gz HSOPWHRJFYNDHE-PCKAHOCUSA-N -1 3 391.478 3.836 20 0 GHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCCCF)c(Cl)cc1Cl ZINC000154220417 890402628 /nfs/dbraw/zinc/40/26/28/890402628.db2.gz OFNCDJZNRXOINQ-JTQLQIEISA-N -1 3 399.315 3.550 20 0 GHADHM O=S(=O)([N-]CCc1ccccc1Cl)c1ccc(Br)s1 ZINC000065794836 890652683 /nfs/dbraw/zinc/65/26/83/890652683.db2.gz KXFMYRDAYCPJAO-UHFFFAOYSA-N -1 3 380.716 3.685 20 0 GHADHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065817100 890667175 /nfs/dbraw/zinc/66/71/75/890667175.db2.gz LDAZIAJTBPEXFL-UHFFFAOYSA-N -1 3 392.242 3.931 20 0 GHADHM O=C(Nc1ccc(F)c(C(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000871274558 890721300 /nfs/dbraw/zinc/72/13/00/890721300.db2.gz PNUDGWXKIUEJJS-HNNXBMFYSA-N -1 3 378.350 3.712 20 0 GHADHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000127154854 890921969 /nfs/dbraw/zinc/92/19/69/890921969.db2.gz UEAVXBIYVGSMPK-UHFFFAOYSA-N -1 3 391.342 3.573 20 0 GHADHM Cc1csc([C@H]2CCN(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)C2)n1 ZINC000871753181 891001496 /nfs/dbraw/zinc/00/14/96/891001496.db2.gz MCIMCXWJLSWERW-HNNXBMFYSA-N -1 3 395.488 3.944 20 0 GHADHM CCC[C@@H](C)C[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC000871878023 891069072 /nfs/dbraw/zinc/06/90/72/891069072.db2.gz BKOCDIRMIFIWPY-ZWNOBZJWSA-N -1 3 393.240 3.799 20 0 GHADHM C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([O-])c1F ZINC000872070634 891138110 /nfs/dbraw/zinc/13/81/10/891138110.db2.gz VMOXYGHHCHJSIF-WHEQGISXSA-N -1 3 397.450 3.607 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(C(F)(F)F)cn1)C1CC1)c1cccnc1Cl ZINC001184906915 913527664 /nfs/dbraw/zinc/52/76/64/913527664.db2.gz IFQPDXIEUQXBHH-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM O=S(=O)([N-][C@@H](CC1CCOCC1)c1ccccc1)c1cccnc1Cl ZINC001184909138 913529647 /nfs/dbraw/zinc/52/96/47/913529647.db2.gz FMZGOEBBDNREIS-INIZCTEOSA-N -1 3 380.897 3.571 20 0 GHADHM [O-]c1ccc(Nc2nc(Br)cnc2Br)c(F)c1F ZINC001211999932 891230003 /nfs/dbraw/zinc/23/00/03/891230003.db2.gz CWEXVFHEQGYIGK-UHFFFAOYSA-N -1 3 380.974 3.729 20 0 GHADHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000747835468 891231541 /nfs/dbraw/zinc/23/15/41/891231541.db2.gz FZCAHDBRURHLBJ-NQIIRXRSSA-N -1 3 380.488 3.611 20 0 GHADHM COc1ccc2nc(CN3C[C@H](C(=O)[O-])[C@@H](c4ccc(F)cc4)C3)sc2c1 ZINC000872323601 891240199 /nfs/dbraw/zinc/24/01/99/891240199.db2.gz NEXVUYIOGPYGTC-CVEARBPZSA-N -1 3 386.448 3.744 20 0 GHADHM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(F)c(C(F)F)c1 ZINC000872353294 891244394 /nfs/dbraw/zinc/24/43/94/891244394.db2.gz CSHXPGGTZBRZAP-ZDUSSCGKSA-N -1 3 387.379 3.732 20 0 GHADHM CCn1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1C ZINC000872421918 891259154 /nfs/dbraw/zinc/25/91/54/891259154.db2.gz CZNVXHDHAOPKTL-UHFFFAOYSA-N -1 3 383.420 3.542 20 0 GHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000783806154 891286755 /nfs/dbraw/zinc/28/67/55/891286755.db2.gz DFTYMFJZOJCHOY-SFHVURJKSA-N -1 3 393.443 3.540 20 0 GHADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000872988051 891410923 /nfs/dbraw/zinc/41/09/23/891410923.db2.gz GNXIFBVCENBJCJ-ZILOHOTNSA-N -1 3 392.499 3.562 20 0 GHADHM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000813283158 891468294 /nfs/dbraw/zinc/46/82/94/891468294.db2.gz LAQNTBHFMSIBIE-QGZVFWFLSA-N -1 3 398.469 3.953 20 0 GHADHM COc1ccc(OC)c([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000025704321 891547730 /nfs/dbraw/zinc/54/77/30/891547730.db2.gz HOMJRFQLTCWPTM-GFCCVEGCSA-N -1 3 379.416 3.537 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCCC2)s1 ZINC001185021851 913583419 /nfs/dbraw/zinc/58/34/19/913583419.db2.gz NCAGAVIANHGOPM-UHFFFAOYSA-N -1 3 393.530 3.715 20 0 GHADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873646268 891725124 /nfs/dbraw/zinc/72/51/24/891725124.db2.gz ZRXKCWVCCYXNNE-JHJVBQTASA-N -1 3 382.291 3.978 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](CC)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825688385 891767159 /nfs/dbraw/zinc/76/71/59/891767159.db2.gz XNBDEPYLZVJIPN-OAHLLOKOSA-N -1 3 385.493 3.940 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H](CC)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000825688385 891767169 /nfs/dbraw/zinc/76/71/69/891767169.db2.gz XNBDEPYLZVJIPN-OAHLLOKOSA-N -1 3 385.493 3.940 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1C(F)F ZINC001133907287 891926160 /nfs/dbraw/zinc/92/61/60/891926160.db2.gz SBQNQWBSOOOPGX-UHFFFAOYSA-N -1 3 386.284 3.508 20 0 GHADHM Cc1ccccc1-n1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1C(F)F ZINC001133907287 891926171 /nfs/dbraw/zinc/92/61/71/891926171.db2.gz SBQNQWBSOOOPGX-UHFFFAOYSA-N -1 3 386.284 3.508 20 0 GHADHM Cc1ccc(F)cc1-c1noc([C@@H](N)CCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC001212097658 891969392 /nfs/dbraw/zinc/96/93/92/891969392.db2.gz CRMSFUVSZSVOMY-KRWDZBQOSA-N -1 3 395.390 3.629 20 0 GHADHM CCn1c(SCC(=O)Nc2cccc([O-])c2F)nnc1-c1cccs1 ZINC000128472253 891974323 /nfs/dbraw/zinc/97/43/23/891974323.db2.gz WAAHUQQMOYXKBQ-UHFFFAOYSA-N -1 3 378.454 3.602 20 0 GHADHM Cc1ccc(Cl)c(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000162271824 892148931 /nfs/dbraw/zinc/14/89/31/892148931.db2.gz ZCEZDZBQQMNRFF-UHFFFAOYSA-N -1 3 396.896 3.816 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCN(C(=O)c1ccc([O-])cc1Cl)CC2 ZINC001272108820 892161676 /nfs/dbraw/zinc/16/16/76/892161676.db2.gz ZXQWXTUAWVWDLF-UHFFFAOYSA-N -1 3 391.924 3.549 20 0 GHADHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCc3c2cccc3Cl)ccc1F ZINC000125082144 892266281 /nfs/dbraw/zinc/26/62/81/892266281.db2.gz YJEHMDYXWWCPTE-MRXNPFEDSA-N -1 3 383.828 3.695 20 0 GHADHM Cc1nc(NC=C2C(=O)[N-]C(=O)c3ccccc32)sc1Cc1ccccc1F ZINC000917602995 892270983 /nfs/dbraw/zinc/27/09/83/892270983.db2.gz OTGZBNXJLDRWDW-WJDWOHSUSA-N -1 3 393.443 3.904 20 0 GHADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(I)ccc2[O-])CCO1 ZINC000611659622 892292597 /nfs/dbraw/zinc/29/25/97/892292597.db2.gz RLYBWJGDDJRUBM-ZYHUDNBSSA-N -1 3 389.233 3.531 20 0 GHADHM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000262549274 892296398 /nfs/dbraw/zinc/29/63/98/892296398.db2.gz SSJJYVDPSAGYIO-SFHVURJKSA-N -1 3 384.451 3.694 20 0 GHADHM COc1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c(C(F)(F)F)c1 ZINC001185083359 913656550 /nfs/dbraw/zinc/65/65/50/913656550.db2.gz HJVLMKBTMRCCLA-UHFFFAOYSA-N -1 3 381.322 3.934 20 0 GHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000917757145 892483989 /nfs/dbraw/zinc/48/39/89/892483989.db2.gz LETYAFVJYHIYIY-UHFFFAOYSA-N -1 3 390.480 3.952 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(OC(F)(F)F)ccc1F ZINC001185124064 913679717 /nfs/dbraw/zinc/67/97/17/913679717.db2.gz RGYGLOFTWPQPMX-UHFFFAOYSA-N -1 3 385.285 3.944 20 0 GHADHM CC(C)(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000508684381 892623425 /nfs/dbraw/zinc/62/34/25/892623425.db2.gz ALICLDOTMPFBPX-UHFFFAOYSA-N -1 3 392.456 3.983 20 0 GHADHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)nc21 ZINC000497934517 892774864 /nfs/dbraw/zinc/77/48/64/892774864.db2.gz TYQZXHXGTJHVOU-UHFFFAOYSA-N -1 3 384.288 3.965 20 0 GHADHM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)[nH]c21 ZINC000497934517 892774875 /nfs/dbraw/zinc/77/48/75/892774875.db2.gz TYQZXHXGTJHVOU-UHFFFAOYSA-N -1 3 384.288 3.965 20 0 GHADHM CCN(C(=O)[C@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1)c1cccc2ccccc21 ZINC000814532678 892833608 /nfs/dbraw/zinc/83/36/08/892833608.db2.gz ZVDDKLYOYOCTEW-AWEZNQCLSA-N -1 3 394.427 3.553 20 0 GHADHM COc1cc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000288334450 913733354 /nfs/dbraw/zinc/73/33/54/913733354.db2.gz NBOXXAVNYNYVNP-UHFFFAOYSA-N -1 3 399.365 3.623 20 0 GHADHM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000876396880 893126488 /nfs/dbraw/zinc/12/64/88/893126488.db2.gz QYMBFYSIVPNCQE-UHFFFAOYSA-N -1 3 388.899 3.668 20 0 GHADHM COc1ccccc1[C@@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000876460152 893185187 /nfs/dbraw/zinc/18/51/87/893185187.db2.gz RLMIYLKQJMIGTC-QGZVFWFLSA-N -1 3 383.492 3.537 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(F)ccc4ccncc43)nc21 ZINC001134753035 893259754 /nfs/dbraw/zinc/25/97/54/893259754.db2.gz BQQUABLYHZFZQK-UHFFFAOYSA-N -1 3 378.363 3.679 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccnc4ccccc34)nc21 ZINC001134753490 893288139 /nfs/dbraw/zinc/28/81/39/893288139.db2.gz OCXIFZKUFBGWQQ-KHPPLWFESA-N -1 3 386.411 3.940 20 0 GHADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000563028904 893297143 /nfs/dbraw/zinc/29/71/43/893297143.db2.gz RFLVLIZYRDSWPI-UWWQBHOKSA-N -1 3 388.464 3.545 20 0 GHADHM C[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000459393196 893449145 /nfs/dbraw/zinc/44/91/45/893449145.db2.gz MHSKCCNXQSQHMO-MRXNPFEDSA-N -1 3 388.471 3.827 20 0 GHADHM C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1=O ZINC000815231426 893590221 /nfs/dbraw/zinc/59/02/21/893590221.db2.gz ZESPQSZHSLCTDB-MEDUHNTESA-N -1 3 377.799 3.704 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825971841 893645931 /nfs/dbraw/zinc/64/59/31/893645931.db2.gz OXPYZOGSNVAAPU-UHFFFAOYSA-N -1 3 381.402 3.584 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000825971841 893645943 /nfs/dbraw/zinc/64/59/43/893645943.db2.gz OXPYZOGSNVAAPU-UHFFFAOYSA-N -1 3 381.402 3.584 20 0 GHADHM Cc1nc(CNCc2cccc([O-])c2Br)sc1Br ZINC000459572532 893842170 /nfs/dbraw/zinc/84/21/70/893842170.db2.gz QTVRODVRXIMYBI-UHFFFAOYSA-N -1 3 392.116 3.972 20 0 GHADHM COc1ccc(CC2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)cc1 ZINC000878022801 893956549 /nfs/dbraw/zinc/95/65/49/893956549.db2.gz NCCNJHUEUXRPST-UHFFFAOYSA-N -1 3 379.460 3.906 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)o1 ZINC000878041436 893973642 /nfs/dbraw/zinc/97/36/42/893973642.db2.gz USSTWQAUZSVAHE-KRWDZBQOSA-N -1 3 389.814 3.808 20 0 GHADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)nc2c1COCC2 ZINC000878046844 893979310 /nfs/dbraw/zinc/97/93/10/893979310.db2.gz KQHOCJZNRWMRPR-MRXNPFEDSA-N -1 3 379.382 3.611 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1occc1Br)c1cccc(OC(F)F)c1 ZINC001185389987 913833987 /nfs/dbraw/zinc/83/39/87/913833987.db2.gz NLKZYBGUNZUJSB-QMMMGPOBSA-N -1 3 396.209 3.683 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1NC(=O)C1CC1 ZINC000815877508 894269145 /nfs/dbraw/zinc/26/91/45/894269145.db2.gz UIWUUULKBGYTPI-UHFFFAOYSA-N -1 3 375.222 3.756 20 0 GHADHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878716171 894531566 /nfs/dbraw/zinc/53/15/66/894531566.db2.gz IDAHRPSVFLNUAA-HNNXBMFYSA-N -1 3 387.480 3.919 20 0 GHADHM CCc1ccc([C@@H]2CN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CCO2)cc1 ZINC000935616750 894670308 /nfs/dbraw/zinc/67/03/08/894670308.db2.gz LFKVDSDKMWDVAC-FQEVSTJZSA-N -1 3 398.409 3.582 20 0 GHADHM CC(C)Nc1ccc(Br)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000564225265 894742662 /nfs/dbraw/zinc/74/26/62/894742662.db2.gz YMZFRVNVJASFOV-UHFFFAOYSA-N -1 3 391.269 3.895 20 0 GHADHM O=C([N-]C[C@@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1)C(F)(F)F ZINC000816614950 894976159 /nfs/dbraw/zinc/97/61/59/894976159.db2.gz JDPWUTQZDVWGRD-ZDUSSCGKSA-N -1 3 399.438 3.716 20 0 GHADHM C[C@@H]1CCc2ccccc2N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001135679152 895033236 /nfs/dbraw/zinc/03/32/36/895033236.db2.gz QVLBFNOCHRYUDZ-GFCCVEGCSA-N -1 3 378.881 3.693 20 0 GHADHM O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000816751477 895050207 /nfs/dbraw/zinc/05/02/07/895050207.db2.gz QAUACZSTOHBKNT-CQSZACIVSA-N -1 3 380.872 3.709 20 0 GHADHM Cc1cnc([C@@H](C)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cn1 ZINC000879467289 895077300 /nfs/dbraw/zinc/07/73/00/895077300.db2.gz FSTXRLUCVVKLQN-KGLIPLIRSA-N -1 3 378.398 3.518 20 0 GHADHM O=c1cc(CN2CCC(c3nc(C4CCC4)no3)CC2)c2ccc([O-])cc2o1 ZINC000879550223 895127735 /nfs/dbraw/zinc/12/77/35/895127735.db2.gz JFRCZUXOCWDKBG-UHFFFAOYSA-N -1 3 381.432 3.529 20 0 GHADHM CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000816887644 895161801 /nfs/dbraw/zinc/16/18/01/895161801.db2.gz JFAXUUUKFULXSR-UHFFFAOYSA-N -1 3 388.386 3.540 20 0 GHADHM COC(=O)[C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826118295 895187380 /nfs/dbraw/zinc/18/73/80/895187380.db2.gz ZQGQDYCRQNEAAV-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM COC(=O)[C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000826118295 895187395 /nfs/dbraw/zinc/18/73/95/895187395.db2.gz ZQGQDYCRQNEAAV-AWEZNQCLSA-N -1 3 394.378 3.892 20 0 GHADHM O=c1[n-]c(CN2CCSC[C@@H]2c2nccs2)nc2c3ccccc3oc21 ZINC000564757820 895229083 /nfs/dbraw/zinc/22/90/83/895229083.db2.gz LTRVSNCIIQWSRN-GFCCVEGCSA-N -1 3 384.486 3.828 20 0 GHADHM CCOc1cc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc(Cl)c1[O-] ZINC000565228294 895470773 /nfs/dbraw/zinc/47/07/73/895470773.db2.gz FIHRARJSRIPIQO-UHFFFAOYSA-N -1 3 398.912 3.615 20 0 GHADHM Cc1ccnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1Br ZINC000565233910 895473501 /nfs/dbraw/zinc/47/35/01/895473501.db2.gz ZVYVBAASGILWRS-UHFFFAOYSA-N -1 3 385.283 3.741 20 0 GHADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC2CCCC2)c2ccccc2)s1 ZINC000565428004 895616727 /nfs/dbraw/zinc/61/67/27/895616727.db2.gz SZXVPGNJYTYYJA-INIZCTEOSA-N -1 3 393.534 3.701 20 0 GHADHM COc1cccc([C@@H]2[C@@H](NC(=O)c3c([O-])cccc3Cl)CCN2C2CC2)c1 ZINC000778491447 895790794 /nfs/dbraw/zinc/79/07/94/895790794.db2.gz GUBUEPJGYCYCRU-FXAWDEMLSA-N -1 3 386.879 3.762 20 0 GHADHM COc1cc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)ccc1C ZINC000826179358 895820038 /nfs/dbraw/zinc/82/00/38/895820038.db2.gz LPCOQMNBYYEQFP-MRXNPFEDSA-N -1 3 377.370 3.577 20 0 GHADHM COc1cc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)ccc1C ZINC000826179358 895820052 /nfs/dbraw/zinc/82/00/52/895820052.db2.gz LPCOQMNBYYEQFP-MRXNPFEDSA-N -1 3 377.370 3.577 20 0 GHADHM CCc1ccc(C(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c([O-])c1 ZINC000565835031 895919093 /nfs/dbraw/zinc/91/90/93/895919093.db2.gz BKAPYSIRPZWQJL-GOSISDBHSA-N -1 3 398.478 3.652 20 0 GHADHM COCCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCCC1 ZINC000774913247 914016906 /nfs/dbraw/zinc/01/69/06/914016906.db2.gz ZGPQPXFUZSBWSD-UHFFFAOYSA-N -1 3 381.325 3.654 20 0 GHADHM CC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC001136073122 895976341 /nfs/dbraw/zinc/97/63/41/895976341.db2.gz SRDWDVYFTMWOOU-OAHLLOKOSA-N -1 3 386.253 3.762 20 0 GHADHM CC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC001136073122 895976345 /nfs/dbraw/zinc/97/63/45/895976345.db2.gz SRDWDVYFTMWOOU-OAHLLOKOSA-N -1 3 386.253 3.762 20 0 GHADHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Br)c1 ZINC001185680624 914039641 /nfs/dbraw/zinc/03/96/41/914039641.db2.gz YUFPFXGTVADKDX-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM Cc1cc(Br)cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C ZINC001136145237 896170504 /nfs/dbraw/zinc/17/05/04/896170504.db2.gz YQJIQYPVOXXCGA-UHFFFAOYSA-N -1 3 397.294 3.690 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(c4nnc5ccccn54)CC3)c2c1 ZINC000566293819 896220624 /nfs/dbraw/zinc/22/06/24/896220624.db2.gz GQNRWKSYCRAWDK-UHFFFAOYSA-N -1 3 387.443 3.668 20 0 GHADHM C[C@@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000566366655 896259623 /nfs/dbraw/zinc/25/96/23/896259623.db2.gz HGCYIRMJCNDFJG-NUTKFTJISA-N -1 3 382.298 3.712 20 0 GHADHM O=c1[n-]c(CN(CCCO)c2ccc(F)c(F)c2)nc2c3ccccc3oc21 ZINC001170916521 896260042 /nfs/dbraw/zinc/26/00/42/896260042.db2.gz OYKOIEVEJXAIKP-UHFFFAOYSA-N -1 3 385.370 3.749 20 0 GHADHM C[C@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000566366659 896260104 /nfs/dbraw/zinc/26/01/04/896260104.db2.gz HGCYIRMJCNDFJG-VMGRFDJRSA-N -1 3 382.298 3.712 20 0 GHADHM CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000881440515 896332244 /nfs/dbraw/zinc/33/22/44/896332244.db2.gz DPPWHHBZMXNATP-OAQYLSRUSA-N -1 3 392.496 3.501 20 0 GHADHM COc1ccsc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826221737 896396833 /nfs/dbraw/zinc/39/68/33/896396833.db2.gz SHUVYYFMNJWWQX-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccsc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826221737 896396850 /nfs/dbraw/zinc/39/68/50/896396850.db2.gz SHUVYYFMNJWWQX-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1Oc1cccnc1 ZINC000826254281 896741558 /nfs/dbraw/zinc/74/15/58/896741558.db2.gz CVGLMXOMPWQECR-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1Oc1cccnc1 ZINC000826254281 896741561 /nfs/dbraw/zinc/74/15/61/896741561.db2.gz CVGLMXOMPWQECR-UHFFFAOYSA-N -1 3 387.399 3.719 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000826271657 896825836 /nfs/dbraw/zinc/82/58/36/896825836.db2.gz AWTUYIKWVGSCOY-HOCLYGCPSA-N -1 3 393.447 3.721 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000826271657 896825842 /nfs/dbraw/zinc/82/58/42/896825842.db2.gz AWTUYIKWVGSCOY-HOCLYGCPSA-N -1 3 393.447 3.721 20 0 GHADHM O=S(=O)([N-]C1(c2ncccn2)CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000882684193 896895388 /nfs/dbraw/zinc/89/53/88/896895388.db2.gz HVOVQIKAOHFBRY-UHFFFAOYSA-N -1 3 391.802 3.507 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826296830 897183381 /nfs/dbraw/zinc/18/33/81/897183381.db2.gz KMXNATNWYMNYGS-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826296830 897183384 /nfs/dbraw/zinc/18/33/84/897183384.db2.gz KMXNATNWYMNYGS-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820563721 897396486 /nfs/dbraw/zinc/39/64/86/897396486.db2.gz UKGFHPSCIBHZEU-ZDUSSCGKSA-N -1 3 386.862 3.542 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820563701 897396887 /nfs/dbraw/zinc/39/68/87/897396887.db2.gz TUYKNRZNGRIHIJ-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820563701 897396898 /nfs/dbraw/zinc/39/68/98/897396898.db2.gz TUYKNRZNGRIHIJ-LBPRGKRZSA-N -1 3 395.854 3.763 20 0 GHADHM CCN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001136361553 897447444 /nfs/dbraw/zinc/44/74/44/897447444.db2.gz DYJQGBMVZKHILM-TZMCWYRMSA-N -1 3 379.913 3.800 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@@H](c2ccccc2)O1 ZINC000820767557 897515479 /nfs/dbraw/zinc/51/54/79/897515479.db2.gz ITMWLYGUOLYCSU-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H](c2ccccc2)O1 ZINC000820767557 897515489 /nfs/dbraw/zinc/51/54/89/897515489.db2.gz ITMWLYGUOLYCSU-PXAZEXFGSA-N -1 3 389.381 3.852 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cccc(Cl)c1Cl ZINC000568028571 897544008 /nfs/dbraw/zinc/54/40/08/897544008.db2.gz OPWYGFOIBCXRLP-TZMCWYRMSA-N -1 3 387.288 3.587 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875899 897601436 /nfs/dbraw/zinc/60/14/36/897601436.db2.gz IEZXUIJFAACQIE-CVEARBPZSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875899 897601442 /nfs/dbraw/zinc/60/14/42/897601442.db2.gz IEZXUIJFAACQIE-CVEARBPZSA-N -1 3 378.480 3.938 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000820989647 897656306 /nfs/dbraw/zinc/65/63/06/897656306.db2.gz YAANHUQEXWOWES-BEFAXECRSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000820989647 897656312 /nfs/dbraw/zinc/65/63/12/897656312.db2.gz YAANHUQEXWOWES-BEFAXECRSA-N -1 3 376.464 3.914 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821002211 897662514 /nfs/dbraw/zinc/66/25/14/897662514.db2.gz VAKKBSXCZKPYSN-LRDDRELGSA-N -1 3 382.493 3.708 20 0 GHADHM CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821002211 897662523 /nfs/dbraw/zinc/66/25/23/897662523.db2.gz VAKKBSXCZKPYSN-LRDDRELGSA-N -1 3 382.493 3.708 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821001947 897662594 /nfs/dbraw/zinc/66/25/94/897662594.db2.gz UCJLQZQBPHIGBR-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821001947 897662603 /nfs/dbraw/zinc/66/26/03/897662603.db2.gz UCJLQZQBPHIGBR-LIRRHRJNSA-N -1 3 376.464 3.647 20 0 GHADHM CC(=O)Nc1cccc(CC(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000821018368 897668440 /nfs/dbraw/zinc/66/84/40/897668440.db2.gz FHQBQFREASLQKU-LLVKDONJSA-N -1 3 399.472 3.819 20 0 GHADHM COc1ccc(Cl)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001136411475 897696882 /nfs/dbraw/zinc/69/68/82/897696882.db2.gz ODBAYHJSPSFQCI-UHFFFAOYSA-N -1 3 389.260 3.626 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000568367052 897785825 /nfs/dbraw/zinc/78/58/25/897785825.db2.gz DKPHCJYHZFYOIL-CYBMUJFWSA-N -1 3 375.446 3.630 20 0 GHADHM Cc1nscc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826339981 897805273 /nfs/dbraw/zinc/80/52/73/897805273.db2.gz BPCOSJZZQRNUHC-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nscc1C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826339981 897805283 /nfs/dbraw/zinc/80/52/83/897805283.db2.gz BPCOSJZZQRNUHC-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM CCSc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821461106 897880092 /nfs/dbraw/zinc/88/00/92/897880092.db2.gz JOOGWIBXSGQFSV-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM CCSc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461106 897880105 /nfs/dbraw/zinc/88/01/05/897880105.db2.gz JOOGWIBXSGQFSV-UHFFFAOYSA-N -1 3 383.477 3.775 20 0 GHADHM Clc1cc(NCCCOCCOCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826350621 897932665 /nfs/dbraw/zinc/93/26/65/897932665.db2.gz DULVAYHUPCLZIW-UHFFFAOYSA-N -1 3 387.871 3.556 20 0 GHADHM Clc1cc(NCCCOCCOCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826350621 897932677 /nfs/dbraw/zinc/93/26/77/897932677.db2.gz DULVAYHUPCLZIW-UHFFFAOYSA-N -1 3 387.871 3.556 20 0 GHADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826352107 897952478 /nfs/dbraw/zinc/95/24/78/897952478.db2.gz NVGXSVGJXYOEQH-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM Clc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826352107 897952488 /nfs/dbraw/zinc/95/24/88/897952488.db2.gz NVGXSVGJXYOEQH-QGZVFWFLSA-N -1 3 390.274 3.747 20 0 GHADHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])Nc1cccc2nccn21 ZINC001185929843 914208764 /nfs/dbraw/zinc/20/87/64/914208764.db2.gz MFESNMYWGZWHSX-UHFFFAOYSA-N -1 3 394.475 3.749 20 0 GHADHM Clc1cccc(SCc2noc(Cc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826353236 897986924 /nfs/dbraw/zinc/98/69/24/897986924.db2.gz HFOZDDZZYDXZFG-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM Clc1cccc(SCc2noc(Cc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826353236 897986936 /nfs/dbraw/zinc/98/69/36/897986936.db2.gz HFOZDDZZYDXZFG-UHFFFAOYSA-N -1 3 384.852 3.786 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC001275483499 914209527 /nfs/dbraw/zinc/20/95/27/914209527.db2.gz NBSMNVXNTWUOFH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1C(F)(F)F ZINC001275483499 914209541 /nfs/dbraw/zinc/20/95/41/914209541.db2.gz NBSMNVXNTWUOFH-UHFFFAOYSA-N -1 3 385.708 3.930 20 0 GHADHM Cc1nc(C)c(CCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c(=O)[n-]1 ZINC000102309552 898003425 /nfs/dbraw/zinc/00/34/25/898003425.db2.gz GRFFAPKXMMXELH-GOSISDBHSA-N -1 3 395.425 3.852 20 0 GHADHM Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289507002 914216165 /nfs/dbraw/zinc/21/61/65/914216165.db2.gz QOMWCYNZFJMGQE-LBPRGKRZSA-N -1 3 387.427 3.602 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCCC3)c(F)c2)cc1 ZINC000778670499 898199666 /nfs/dbraw/zinc/19/96/66/898199666.db2.gz OLAKNOHONQSDTJ-UHFFFAOYSA-N -1 3 382.432 3.765 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H](C)C1CC1 ZINC000822212034 898244509 /nfs/dbraw/zinc/24/45/09/898244509.db2.gz ZNTNLEVDHOKMQV-CQSZACIVSA-N -1 3 377.448 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H](C)C1CC1 ZINC000822212034 898244522 /nfs/dbraw/zinc/24/45/22/898244522.db2.gz ZNTNLEVDHOKMQV-CQSZACIVSA-N -1 3 377.448 3.739 20 0 GHADHM CC(C)(C)c1ccccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289602189 914258890 /nfs/dbraw/zinc/25/88/90/914258890.db2.gz UZQBZTUCEHZUCN-ZDUSSCGKSA-N -1 3 385.430 3.907 20 0 GHADHM O=S(=O)([N-][C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC001186025752 914259626 /nfs/dbraw/zinc/25/96/26/914259626.db2.gz CFDNWPSAEAOJFY-CQSZACIVSA-N -1 3 389.786 3.798 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822929683 898729135 /nfs/dbraw/zinc/72/91/35/898729135.db2.gz WRAVBSIYOZSEBN-VURMDHGXSA-N -1 3 394.797 3.859 20 0 GHADHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822929683 898729145 /nfs/dbraw/zinc/72/91/45/898729145.db2.gz WRAVBSIYOZSEBN-VURMDHGXSA-N -1 3 394.797 3.859 20 0 GHADHM Cc1cccc2c1CCN(C(=O)c1c[n-]c3ccc(Br)cc3c1=O)C2 ZINC001136701690 898964854 /nfs/dbraw/zinc/96/48/54/898964854.db2.gz JVHJCBFLXXFHRM-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM CC(C)(C)Cc1nc2cc([N-]C(=O)c3nc(-c4cnccn4)no3)ccc2o1 ZINC001136735617 899075885 /nfs/dbraw/zinc/07/58/85/899075885.db2.gz CBIOEZIOFYCYHW-UHFFFAOYSA-N -1 3 378.392 3.509 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202331 914319823 /nfs/dbraw/zinc/31/98/23/914319823.db2.gz PMFMHNUXKHAWCU-OWCLPIDISA-N -1 3 391.471 3.823 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)CCC1CCCCC1 ZINC000115445622 899188953 /nfs/dbraw/zinc/18/89/53/899188953.db2.gz FSRVPIYZLDWRGK-MRXNPFEDSA-N -1 3 396.535 3.938 20 0 GHADHM CN(C)C(=O)C1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC1 ZINC001136766601 899198933 /nfs/dbraw/zinc/19/89/33/899198933.db2.gz SYNFEJVMPVCDTG-UHFFFAOYSA-N -1 3 394.515 3.556 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)s1 ZINC001136778736 899264169 /nfs/dbraw/zinc/26/41/69/899264169.db2.gz RBGXMBWDYVYPLL-UHFFFAOYSA-N -1 3 388.449 3.627 20 0 GHADHM C[C@H](C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1ccsc1 ZINC000824045906 899359071 /nfs/dbraw/zinc/35/90/71/899359071.db2.gz OWQNKITURJPAIJ-JTQLQIEISA-N -1 3 399.867 3.510 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1CCOCC1 ZINC000824052540 899362152 /nfs/dbraw/zinc/36/21/52/899362152.db2.gz PDCNIOGKOCSEEI-LBPRGKRZSA-N -1 3 389.525 3.588 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1CCOCC1 ZINC000824052540 899362166 /nfs/dbraw/zinc/36/21/66/899362166.db2.gz PDCNIOGKOCSEEI-LBPRGKRZSA-N -1 3 389.525 3.588 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824309686 899517957 /nfs/dbraw/zinc/51/79/57/899517957.db2.gz VIMDLWCDRFUJHE-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM CC(C)OCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824309686 899517968 /nfs/dbraw/zinc/51/79/68/899517968.db2.gz VIMDLWCDRFUJHE-UHFFFAOYSA-N -1 3 381.436 3.803 20 0 GHADHM CC(C)C1CN(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000824489441 899632489 /nfs/dbraw/zinc/63/24/89/899632489.db2.gz KRJQZFQEPPMYNE-HNNXBMFYSA-N -1 3 390.491 3.892 20 0 GHADHM CC(C)C1CN(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000824489441 899632493 /nfs/dbraw/zinc/63/24/93/899632493.db2.gz KRJQZFQEPPMYNE-HNNXBMFYSA-N -1 3 390.491 3.892 20 0 GHADHM C[C@@H](NC(=O)N1CCC(F)(F)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824488597 899632567 /nfs/dbraw/zinc/63/25/67/899632567.db2.gz GLFFATAYHCOISJ-CYBMUJFWSA-N -1 3 398.417 3.645 20 0 GHADHM C[C@@H](NC(=O)N1CCC(F)(F)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824488597 899632574 /nfs/dbraw/zinc/63/25/74/899632574.db2.gz GLFFATAYHCOISJ-CYBMUJFWSA-N -1 3 398.417 3.645 20 0 GHADHM C[C@@H](NC(=O)NCc1ccoc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499383 899667123 /nfs/dbraw/zinc/66/71/23/899667123.db2.gz OKSBYKSHVYCSNP-CQSZACIVSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@@H](NC(=O)NCc1ccoc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499383 899667133 /nfs/dbraw/zinc/66/71/33/899667133.db2.gz OKSBYKSHVYCSNP-CQSZACIVSA-N -1 3 388.431 3.687 20 0 GHADHM C[C@H](NCc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824611589 899719974 /nfs/dbraw/zinc/71/99/74/899719974.db2.gz BYIIDQITWZXBDR-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C)(C)CC3)nc(=O)c2c1C ZINC000332607617 899793663 /nfs/dbraw/zinc/79/36/63/899793663.db2.gz JTFPRIRNSUKESX-LBPRGKRZSA-N -1 3 377.510 3.653 20 0 GHADHM O=C(CC1CCC(C(F)(F)F)CC1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826404073 899834992 /nfs/dbraw/zinc/83/49/92/899834992.db2.gz NLHZTZUGPFGRMC-UHFFFAOYSA-N -1 3 398.385 3.548 20 0 GHADHM Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000571452949 899874275 /nfs/dbraw/zinc/87/42/75/899874275.db2.gz LRXYMIJLWLNTGT-ZDUSSCGKSA-N -1 3 385.361 3.656 20 0 GHADHM O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044886147 899881513 /nfs/dbraw/zinc/88/15/13/899881513.db2.gz OHWBASLHXKZHAU-HXUWFJFHSA-N -1 3 393.487 3.626 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000825082783 899967605 /nfs/dbraw/zinc/96/76/05/899967605.db2.gz VTDNTZPNRPALDW-MRVPVSSYSA-N -1 3 394.266 3.902 20 0 GHADHM CC[C@@H](C)n1nc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000825082783 899967614 /nfs/dbraw/zinc/96/76/14/899967614.db2.gz VTDNTZPNRPALDW-MRVPVSSYSA-N -1 3 394.266 3.902 20 0 GHADHM O=S(=O)([N-]C[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000571932223 900013989 /nfs/dbraw/zinc/01/39/89/900013989.db2.gz ZWCBNKDUJXPIKP-LBPRGKRZSA-N -1 3 379.350 3.664 20 0 GHADHM O=C(C=Cc1ccsc1C(F)(F)F)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304707 900080626 /nfs/dbraw/zinc/08/06/26/900080626.db2.gz HBPKLPZQCOFCKN-SNAWJCMRSA-N -1 3 383.395 3.860 20 0 GHADHM CCN(C(=O)c1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385882 900137750 /nfs/dbraw/zinc/13/77/50/900137750.db2.gz UUFNHQHLIOZPSV-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM CCN(C(=O)c1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385882 900137759 /nfs/dbraw/zinc/13/77/59/900137759.db2.gz UUFNHQHLIOZPSV-UHFFFAOYSA-N -1 3 380.210 3.979 20 0 GHADHM O=C(CSc1ccc(F)cc1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826421012 900228867 /nfs/dbraw/zinc/22/88/67/900228867.db2.gz NNCARTLOCNLKLY-UHFFFAOYSA-N -1 3 389.481 3.677 20 0 GHADHM O=C(CSc1ccc(F)cc1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826421012 900228870 /nfs/dbraw/zinc/22/88/70/900228870.db2.gz NNCARTLOCNLKLY-UHFFFAOYSA-N -1 3 389.481 3.677 20 0 GHADHM Cc1nc(C2CCN(c3ccc(-c4nc(C)c(C)c(=O)[n-]4)cn3)CC2)[nH]c1C ZINC000884707828 900242561 /nfs/dbraw/zinc/24/25/61/900242561.db2.gz ASEOOIDDAWCVLJ-UHFFFAOYSA-N -1 3 378.480 3.585 20 0 GHADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000572837626 900288471 /nfs/dbraw/zinc/28/84/71/900288471.db2.gz LFFDBXAUIXMCHK-WMZOPIPTSA-N -1 3 377.282 3.845 20 0 GHADHM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000572994989 900334726 /nfs/dbraw/zinc/33/47/26/900334726.db2.gz JEIAYKWWEIGREF-UHFFFAOYSA-N -1 3 395.777 3.677 20 0 GHADHM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1nnc2ccccc2c1[O-] ZINC000844008541 900447074 /nfs/dbraw/zinc/44/70/74/900447074.db2.gz GMAPTXOPNMMGPP-KBPBESRZSA-N -1 3 387.443 3.668 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826452777 900610733 /nfs/dbraw/zinc/61/07/33/900610733.db2.gz HZEPRYCWIIYJSU-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000826452777 900610736 /nfs/dbraw/zinc/61/07/36/900610736.db2.gz HZEPRYCWIIYJSU-OAHLLOKOSA-N -1 3 384.827 3.556 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)[C@H]1CCCCS1 ZINC000826454626 900628943 /nfs/dbraw/zinc/62/89/43/900628943.db2.gz DJKJUBIOYIWVMO-GOSISDBHSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)[C@H]1CCCCS1 ZINC000826454626 900628948 /nfs/dbraw/zinc/62/89/48/900628948.db2.gz DJKJUBIOYIWVMO-GOSISDBHSA-N -1 3 395.488 3.670 20 0 GHADHM O=C(NC1CCC(C(F)F)CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000574016831 900741169 /nfs/dbraw/zinc/74/11/69/900741169.db2.gz XVMSXOWIQNBQPW-UHFFFAOYSA-N -1 3 399.235 3.844 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(=O)[n-]1 ZINC000065430898 900980847 /nfs/dbraw/zinc/98/08/47/900980847.db2.gz DNYZHIDDMRHLKX-UHFFFAOYSA-N -1 3 388.899 3.602 20 0 GHADHM O=C(NCC1(Sc2ccccc2)CC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001144072494 901021294 /nfs/dbraw/zinc/02/12/94/901021294.db2.gz OAOQPFKRELAYBR-UHFFFAOYSA-N -1 3 386.423 3.861 20 0 GHADHM O=C(C[C@H]1CCC(=O)NC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000575764179 901282762 /nfs/dbraw/zinc/28/27/62/901282762.db2.gz VSTRKQVPMZRKLE-GFCCVEGCSA-N -1 3 381.457 3.524 20 0 GHADHM CCN(C(=O)COC(=O)c1ccc(N)c(Cl)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC000845195258 901932536 /nfs/dbraw/zinc/93/25/36/901932536.db2.gz VRXWTFHLOMHDKP-LLVKDONJSA-N -1 3 394.830 3.533 20 0 GHADHM [O-]c1ccc(F)c(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c1F ZINC000576666654 902172439 /nfs/dbraw/zinc/17/24/39/902172439.db2.gz VIOXVTNMJUJMQI-LBPRGKRZSA-N -1 3 391.368 3.917 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1[n-]cnc1C(F)(F)F ZINC001144438035 902182251 /nfs/dbraw/zinc/18/22/51/902182251.db2.gz QRNARORXGJDFOQ-UHFFFAOYSA-N -1 3 382.323 3.533 20 0 GHADHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1nc[n-]c1C(F)(F)F ZINC001144438035 902182258 /nfs/dbraw/zinc/18/22/58/902182258.db2.gz QRNARORXGJDFOQ-UHFFFAOYSA-N -1 3 382.323 3.533 20 0 GHADHM Cc1nc(COC(C)(C)C)oc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000845475974 902215325 /nfs/dbraw/zinc/21/53/25/902215325.db2.gz KUXQQIOJAVWAGE-UHFFFAOYSA-N -1 3 397.431 3.988 20 0 GHADHM O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503515 902283786 /nfs/dbraw/zinc/28/37/86/902283786.db2.gz YNTPVQOWIVBQBA-LLVKDONJSA-N -1 3 384.263 3.597 20 0 GHADHM [O-]c1cc(F)c(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c(F)c1 ZINC001144550665 902363436 /nfs/dbraw/zinc/36/34/36/902363436.db2.gz UXSLBGANOPKRGW-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1Cc1c(F)cc([O-])cc1F ZINC001144561648 902377885 /nfs/dbraw/zinc/37/78/85/902377885.db2.gz KQBGEVWFYGQNRZ-VQTJNVASSA-N -1 3 375.415 3.982 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)Cc3ccc([O-])c(F)c3)c2C1 ZINC001144631354 902537512 /nfs/dbraw/zinc/53/75/12/902537512.db2.gz ONBXVSQJUXOHQL-UHFFFAOYSA-N -1 3 386.423 3.963 20 0 GHADHM O=C(c1ccsc1)N1CCC2(CCN(Cc3cc(F)c([O-])cc3F)C2)CC1 ZINC001144651668 902561052 /nfs/dbraw/zinc/56/10/52/902561052.db2.gz YMYTWZGHDMWADT-UHFFFAOYSA-N -1 3 392.471 3.860 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)CN1c1ccc(F)c(F)c1 ZINC001144666468 902585718 /nfs/dbraw/zinc/58/57/18/902585718.db2.gz JPCNOEFQDIHWQQ-HXUWFJFHSA-N -1 3 394.368 3.578 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)c(=O)[n-]1 ZINC000577230177 902602407 /nfs/dbraw/zinc/60/24/07/902602407.db2.gz JEEMYRGIFKUMOA-UHFFFAOYSA-N -1 3 393.491 3.739 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c([O-])c1 ZINC001144672045 902602796 /nfs/dbraw/zinc/60/27/96/902602796.db2.gz AGQXTQSJTMWDPB-LJQANCHMSA-N -1 3 398.478 3.583 20 0 GHADHM CCOc1cc(CN(C)Cc2ccccc2CC(=O)[O-])ccc1OC(F)F ZINC000846238004 902810400 /nfs/dbraw/zinc/81/04/00/902810400.db2.gz JWDVBPNBUABCCQ-UHFFFAOYSA-N -1 3 379.403 3.946 20 0 GHADHM Cc1cccc(C2(O)CCN(CCOc3ccc(/C=C\C(=O)[O-])cc3)CC2)c1C ZINC000846251186 902824675 /nfs/dbraw/zinc/82/46/75/902824675.db2.gz CSJAHADZQZUURZ-FLIBITNWSA-N -1 3 395.499 3.764 20 0 GHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1 ZINC000577759674 903161842 /nfs/dbraw/zinc/16/18/42/903161842.db2.gz RJYKFLUVBXJTCL-UHFFFAOYSA-N -1 3 396.468 3.895 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC001144974443 903300738 /nfs/dbraw/zinc/30/07/38/903300738.db2.gz SORAHWHDJYUWCM-SFHVURJKSA-N -1 3 399.491 3.533 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC001144974443 903300742 /nfs/dbraw/zinc/30/07/42/903300742.db2.gz SORAHWHDJYUWCM-SFHVURJKSA-N -1 3 399.491 3.533 20 0 GHADHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000577907112 903330489 /nfs/dbraw/zinc/33/04/89/903330489.db2.gz KVRVNDIZHSUYNI-QGZVFWFLSA-N -1 3 375.852 3.876 20 0 GHADHM CC1(C)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCS1 ZINC000577970459 903398195 /nfs/dbraw/zinc/39/81/95/903398195.db2.gz BZWPDCBOEYKIOQ-UHFFFAOYSA-N -1 3 395.322 3.648 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)n2)cc1F ZINC000646608304 914716331 /nfs/dbraw/zinc/71/63/31/914716331.db2.gz QLOMNNNSFGQIAO-UHFFFAOYSA-N -1 3 386.408 3.583 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001146840000 903622710 /nfs/dbraw/zinc/62/27/10/903622710.db2.gz ITXMDOMQPULRTE-GOSISDBHSA-N -1 3 392.908 3.861 20 0 GHADHM CCn1cc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000578223775 903628625 /nfs/dbraw/zinc/62/86/25/903628625.db2.gz IPNBAJFULGALSP-CJNGLKHVSA-N -1 3 383.370 3.734 20 0 GHADHM CN(C)c1ncc(C(=O)[N-]c2onc(-c3ccccc3)c2C(=O)OC(C)(C)C)o1 ZINC001147052839 903677684 /nfs/dbraw/zinc/67/76/84/903677684.db2.gz DWDICCOMHHLTCU-UHFFFAOYSA-N -1 3 398.419 3.603 20 0 GHADHM CC[C@](C)(NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1nc(C)cs1 ZINC001147142750 903717629 /nfs/dbraw/zinc/71/76/29/903717629.db2.gz ZTXCDYNUTHNTSC-SFHVURJKSA-N -1 3 377.416 3.626 20 0 GHADHM CS(=O)(=O)c1cccc([C@@H](NCc2ccc([O-])c(F)c2)c2ccccc2)c1 ZINC000779074193 903914214 /nfs/dbraw/zinc/91/42/14/903914214.db2.gz ZKYAJXGGPIDGIH-NRFANRHFSA-N -1 3 385.460 3.814 20 0 GHADHM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001148450341 904072773 /nfs/dbraw/zinc/07/27/73/904072773.db2.gz ZCJRSJJSZYFBMR-OAQYLSRUSA-N -1 3 392.499 3.646 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(C)c(C)c3ncccc23)c([O-])c1 ZINC001148547256 904105890 /nfs/dbraw/zinc/10/58/90/904105890.db2.gz IVXGTPZCLYNYLF-UHFFFAOYSA-N -1 3 377.444 3.624 20 0 GHADHM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001148627595 904145239 /nfs/dbraw/zinc/14/52/39/904145239.db2.gz XJSCKDVIRFUWMM-UHFFFAOYSA-N -1 3 386.411 3.810 20 0 GHADHM CC(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)ccc1[O-] ZINC001148663176 904161911 /nfs/dbraw/zinc/16/19/11/904161911.db2.gz WOEIOSPURVJPFU-QGTPRVQTSA-N -1 3 387.476 3.710 20 0 GHADHM CC(=O)c1cc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC001148663178 904162048 /nfs/dbraw/zinc/16/20/48/904162048.db2.gz WOEIOSPURVJPFU-WBAXXEDZSA-N -1 3 387.476 3.710 20 0 GHADHM CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1[O-] ZINC001148662836 904162263 /nfs/dbraw/zinc/16/22/63/904162263.db2.gz SDXRVYWJYXKRPT-IAGOWNOFSA-N -1 3 390.480 3.503 20 0 GHADHM CC(=O)c1cc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)ccc1[O-] ZINC001148661870 904162420 /nfs/dbraw/zinc/16/24/20/904162420.db2.gz FIBLIXYRFUBTON-UHFFFAOYSA-N -1 3 382.243 3.536 20 0 GHADHM CCOC(=O)c1coc(-c2cccc(NC(=O)c3ccc([O-])c(C(C)=O)c3)c2)n1 ZINC001148664876 904164156 /nfs/dbraw/zinc/16/41/56/904164156.db2.gz SZPMMIMDAJBPEJ-UHFFFAOYSA-N -1 3 394.383 3.679 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1csc([C@H]2CCCO2)n1 ZINC000152204361 904245673 /nfs/dbraw/zinc/24/56/73/904245673.db2.gz LUVRXBLSBQCUKC-GFCCVEGCSA-N -1 3 375.841 3.685 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC1CC1)c1ccccc1 ZINC001148925066 904260321 /nfs/dbraw/zinc/26/03/21/904260321.db2.gz ZHQANWZSZFNIRO-UHFFFAOYSA-N -1 3 388.471 3.516 20 0 GHADHM Cc1noc([C@H]2CCCN2C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000579145630 904374645 /nfs/dbraw/zinc/37/46/45/904374645.db2.gz GGHRKVSPUKITBG-LJQANCHMSA-N -1 3 377.444 3.846 20 0 GHADHM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ncc([O-])cc1Br ZINC001186784008 914805706 /nfs/dbraw/zinc/80/57/06/914805706.db2.gz XXBYYVNDYRFMMP-UHFFFAOYSA-N -1 3 390.159 3.890 20 0 GHADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000153764746 904395650 /nfs/dbraw/zinc/39/56/50/904395650.db2.gz IHWITDVERVTTCA-HNNXBMFYSA-N -1 3 382.508 3.645 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCOCC)[C@H]2CCc3ccccc32)c1 ZINC001171412491 904546893 /nfs/dbraw/zinc/54/68/93/904546893.db2.gz GMHHAJMGHCTQRL-FQEVSTJZSA-N -1 3 394.471 3.683 20 0 GHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[N-]OC[C@@H]1CCOC1 ZINC000187962875 904855245 /nfs/dbraw/zinc/85/52/45/904855245.db2.gz RAAPMQUADFURKG-LLVKDONJSA-N -1 3 385.247 3.665 20 0 GHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001171811099 905071186 /nfs/dbraw/zinc/07/11/86/905071186.db2.gz VBFFURZUERNYEQ-AWEZNQCLSA-N -1 3 394.258 3.914 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C/c3ccc[nH]3)cc2)cc1 ZINC000189494220 905111061 /nfs/dbraw/zinc/11/10/61/905111061.db2.gz IPOFTXMJKONNCJ-JLHYYAGUSA-N -1 3 381.457 3.776 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001171944193 905196035 /nfs/dbraw/zinc/19/60/35/905196035.db2.gz HGDRVRNTFNAGRS-NRFANRHFSA-N -1 3 386.373 3.907 20 0 GHADHM COc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1OCc1ccccc1 ZINC000901500957 921176888 /nfs/dbraw/zinc/17/68/88/921176888.db2.gz JRMCSUSEPOYDRZ-LJQANCHMSA-N -1 3 381.472 3.961 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H]([C@@H]4CCCC4(C)C)C3)c(=O)c2c(OC)c1 ZINC000627921667 905838803 /nfs/dbraw/zinc/83/88/03/905838803.db2.gz IEBSBRBLUOJQGH-YOEHRIQHSA-N -1 3 398.503 3.834 20 0 GHADHM O=C(Nc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1)c1ccoc1 ZINC000190273201 905911125 /nfs/dbraw/zinc/91/11/25/905911125.db2.gz PJTYPZVOPQLKGU-UHFFFAOYSA-N -1 3 396.424 3.707 20 0 GHADHM CN(c1ccccc1)c1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000901525248 921202747 /nfs/dbraw/zinc/20/27/47/921202747.db2.gz PMVCADYSUBMJPI-FQEVSTJZSA-N -1 3 391.475 3.581 20 0 GHADHM CCCC[C@@H](CC(C)C)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001173259152 906343084 /nfs/dbraw/zinc/34/30/84/906343084.db2.gz HAIHROYOQQBVJJ-HOTGVXAUSA-N -1 3 386.583 3.622 20 0 GHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC000191026385 906551436 /nfs/dbraw/zinc/55/14/36/906551436.db2.gz VMVOAXOOCAFKSL-UHFFFAOYSA-N -1 3 382.313 3.560 20 0 GHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1 ZINC000629333626 906718178 /nfs/dbraw/zinc/71/81/78/906718178.db2.gz ZCEAASMKXDIXGJ-AWEZNQCLSA-N -1 3 388.489 3.745 20 0 GHADHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000191205402 906750180 /nfs/dbraw/zinc/75/01/80/906750180.db2.gz RZJAGLWYVKXITI-CYBMUJFWSA-N -1 3 378.879 3.882 20 0 GHADHM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000629498475 906833182 /nfs/dbraw/zinc/83/31/82/906833182.db2.gz LXOHJTQWHFNFRA-OWTLIXCDSA-N -1 3 387.307 3.602 20 0 GHADHM O=S(=O)(NCc1ccccc1)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 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CC(=O)c1cccc([O-])c1NC(=O)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001178971027 909338988 /nfs/dbraw/zinc/33/89/88/909338988.db2.gz PSTMRNGURUOYRP-HXUWFJFHSA-N -1 3 376.453 3.571 20 0 GHADHM Cc1nc(-c2ccccc2C)sc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636109728 909430663 /nfs/dbraw/zinc/43/06/63/909430663.db2.gz GXOBNBHLUJNKGF-UHFFFAOYSA-N -1 3 382.489 3.896 20 0 GHADHM COc1ccc(-c2cncc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)c2)c(C)c1 ZINC000636113143 909435200 /nfs/dbraw/zinc/43/52/00/909435200.db2.gz UQLIDUXZAHUWPD-UHFFFAOYSA-N -1 3 392.459 3.535 20 0 GHADHM O=c1nc(CSCCO[C@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000901740356 921525368 /nfs/dbraw/zinc/52/53/68/921525368.db2.gz GAYRNSPTUWISCE-NSHDSACASA-N -1 3 378.475 3.696 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C4CCC3CC4)c2)cc1 ZINC000637498415 909833330 /nfs/dbraw/zinc/83/33/30/909833330.db2.gz JSXLICPXBRBWAU-UHFFFAOYSA-N -1 3 384.501 3.871 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1SCCc2sccc21 ZINC001179955002 909866924 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386.683 3.521 20 0 GHADHM O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180222494 910024484 /nfs/dbraw/zinc/02/44/84/910024484.db2.gz TXSISTOOBLCCEZ-JCNLHEQBSA-N -1 3 378.476 3.829 20 0 GHADHM CC(C)=CCOc1cccc(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001180226504 910025807 /nfs/dbraw/zinc/02/58/07/910025807.db2.gz YJOVGKFZZUDWAQ-WGSAOQKQSA-N -1 3 395.503 3.912 20 0 GHADHM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000795378681 910109826 /nfs/dbraw/zinc/10/98/26/910109826.db2.gz BZNNSHKACOEUIJ-JTQLQIEISA-N -1 3 393.358 3.621 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCc1cncc(F)c1 ZINC000795441660 910326354 /nfs/dbraw/zinc/32/63/54/910326354.db2.gz QRTVVIVEPCPHOA-HXUWFJFHSA-N -1 3 394.402 3.531 20 0 GHADHM CCc1[nH]c(=O)c(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1C ZINC001180844236 910377138 /nfs/dbraw/zinc/37/71/38/910377138.db2.gz UOHXFWRJWGXMEA-UHFFFAOYSA-N -1 3 383.477 3.629 20 0 GHADHM COc1cc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc(OC)c1[O-] ZINC000270771468 910696480 /nfs/dbraw/zinc/69/64/80/910696480.db2.gz LUYJNJYUOOPBDR-UHFFFAOYSA-N -1 3 377.387 3.707 20 0 GHADHM COc1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000270839546 910713725 /nfs/dbraw/zinc/71/37/25/910713725.db2.gz UXMXVVIDEBSCOT-IIBYNOLFSA-N -1 3 385.460 3.616 20 0 GHADHM CCOc1cccc([C@@H](C)NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c1 ZINC000640292724 910955616 /nfs/dbraw/zinc/95/56/16/910955616.db2.gz NUDOWZIBTPRFMA-SNVBAGLBSA-N -1 3 390.793 3.802 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC(c3cccc(Cl)c3)CC2)[n-]1 ZINC000640314091 910964897 /nfs/dbraw/zinc/96/48/97/910964897.db2.gz BELXPUPTIKUQOK-UHFFFAOYSA-N -1 3 397.704 3.669 20 0 GHADHM COc1cc(CC2CN(Cc3cccc([O-])c3Br)C2)cc(OC)c1 ZINC001182216365 911304766 /nfs/dbraw/zinc/30/47/66/911304766.db2.gz OUXVPGLQGVTLJR-UHFFFAOYSA-N -1 3 392.293 3.846 20 0 GHADHM O=C([O-])c1csc(-c2cccc(CNCc3ccc(N4CCCC4)nc3)c2)n1 ZINC000901862558 921653695 /nfs/dbraw/zinc/65/36/95/921653695.db2.gz PCFRGHOAVUPTFD-UHFFFAOYSA-N -1 3 394.500 3.793 20 0 GHADHM COC(=O)c1ncc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1Cl ZINC000795615425 911446434 /nfs/dbraw/zinc/44/64/34/911446434.db2.gz JISDBXKOBMGMEU-SREVYHEPSA-N -1 3 387.244 3.588 20 0 GHADHM CCOc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(OCC)c1OCC ZINC000641893510 911575690 /nfs/dbraw/zinc/57/56/90/911575690.db2.gz XPVUDAFNOLXADX-UHFFFAOYSA-N -1 3 386.408 3.513 20 0 GHADHM CC(=O)Nc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000284336148 911831722 /nfs/dbraw/zinc/83/17/22/911831722.db2.gz UZXJJTJZOMASGH-QGZVFWFLSA-N -1 3 380.366 3.969 20 0 GHADHM COc1ccc2c(c1)OCC(C(=O)Nc1cc(Br)ccc1[O-])=C2 ZINC001182649514 911950462 /nfs/dbraw/zinc/95/04/62/911950462.db2.gz BOXYRVPTWHZCLX-UHFFFAOYSA-N -1 3 376.206 3.578 20 0 GHADHM Cc1ccccc1Oc1ccccc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182971961 912149080 /nfs/dbraw/zinc/14/90/80/912149080.db2.gz LBUOAUMQELCIDL-UHFFFAOYSA-N -1 3 376.412 3.861 20 0 GHADHM CN(CCCN(C)C(=O)c1cc2sccc2c([O-])c1)C(=O)OC(C)(C)C ZINC001299419566 912180940 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CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2F)cc1 ZINC001187428459 915241818 /nfs/dbraw/zinc/24/18/18/915241818.db2.gz PKNNIWOLPLDUPS-UHFFFAOYSA-N -1 3 386.832 3.626 20 0 GHADHM O=C(Nc1cc(F)cc(F)c1)Nc1cc(I)ccc1[O-] ZINC001187579908 915374154 /nfs/dbraw/zinc/37/41/54/915374154.db2.gz KWWAYGFMQUHANB-UHFFFAOYSA-N -1 3 390.127 3.919 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1csnc1-c1ccccc1 ZINC000647893957 915429423 /nfs/dbraw/zinc/42/94/23/915429423.db2.gz NULXHKUBNDWSCU-UHFFFAOYSA-N -1 3 396.440 3.890 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)[N-]c2noc3nccnc23)c1 ZINC001187745055 915497278 /nfs/dbraw/zinc/49/72/78/915497278.db2.gz MYHSDDVGLMTWOD-UHFFFAOYSA-N -1 3 389.799 3.871 20 0 GHADHM O=C([N-]c1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc[n+]1[O-] ZINC000097466353 915565351 /nfs/dbraw/zinc/56/53/51/915565351.db2.gz QBHZDIRICWUGDM-UHFFFAOYSA-N -1 3 379.363 3.638 20 0 GHADHM COc1ccc(-n2cc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)cn2)cc1 ZINC000648355165 915646113 /nfs/dbraw/zinc/64/61/13/915646113.db2.gz XCCNFQXLCWGONX-UHFFFAOYSA-N -1 3 391.471 3.681 20 0 GHADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cn(C2CCC2)nn1 ZINC000648372071 915656863 /nfs/dbraw/zinc/65/68/63/915656863.db2.gz PZVAJHRJWDYKGZ-HNNXBMFYSA-N -1 3 380.477 3.575 20 0 GHADHM CC(C)(COCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431204 915698999 /nfs/dbraw/zinc/69/89/99/915698999.db2.gz MGZRCKVHBVJONV-UHFFFAOYSA-N -1 3 389.805 3.702 20 0 GHADHM Cc1[nH]ncc1C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001188059262 915728182 /nfs/dbraw/zinc/72/81/82/915728182.db2.gz JAFRSYSUDPGZOW-UHFFFAOYSA-N -1 3 381.276 3.591 20 0 GHADHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 ZINC001188084823 915745692 /nfs/dbraw/zinc/74/56/92/915745692.db2.gz ROUDBMXIVLVTFW-UHFFFAOYSA-N -1 3 399.221 3.928 20 0 GHADHM COc1nccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c1F ZINC001188428502 915937847 /nfs/dbraw/zinc/93/78/47/915937847.db2.gz BRBSVSKEXAUFCD-UHFFFAOYSA-N -1 3 376.384 3.836 20 0 GHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2C)c1 ZINC001188607167 916052984 /nfs/dbraw/zinc/05/29/84/916052984.db2.gz HNNWMOLWDYITFB-CWTRNNRKSA-N -1 3 391.464 3.523 20 0 GHADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000649396682 916138971 /nfs/dbraw/zinc/13/89/71/916138971.db2.gz GQNVCBLSJQQSGB-QFIPXVFZSA-N -1 3 380.419 3.504 20 0 GHADHM O=c1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001188715318 916146402 /nfs/dbraw/zinc/14/64/02/916146402.db2.gz ACBDTSNFMYPMFN-UHFFFAOYSA-N -1 3 393.774 3.533 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2CCC[C@@H]1C ZINC001188994428 916329289 /nfs/dbraw/zinc/32/92/89/916329289.db2.gz FDUHUHNSCYETIX-DJJJIMSYSA-N -1 3 391.464 3.604 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(F)cc1Br ZINC001189011663 916339576 /nfs/dbraw/zinc/33/95/76/916339576.db2.gz WSFZNPPTENXEKA-GFCCVEGCSA-N -1 3 394.306 3.524 20 0 GHADHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189104364 916405156 /nfs/dbraw/zinc/40/51/56/916405156.db2.gz RWKWQJSRFMQDPX-UHFFFAOYSA-N -1 3 385.844 3.640 20 0 GHADHM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189108412 916407536 /nfs/dbraw/zinc/40/75/36/916407536.db2.gz DHZIFEDUGVYILV-UHFFFAOYSA-N -1 3 399.871 3.949 20 0 GHADHM O=c1cc(Cl)[nH]cc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001189141917 916426049 /nfs/dbraw/zinc/42/60/49/916426049.db2.gz IKPWNQVTHGCKTH-UHFFFAOYSA-N -1 3 398.065 3.657 20 0 GHADHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1csnc1-c1ccccc1 ZINC001189319794 916549613 /nfs/dbraw/zinc/54/96/13/916549613.db2.gz AZJHWYLOUJSOIS-HNNXBMFYSA-N -1 3 390.461 3.751 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(F)c1 ZINC001189385778 916581163 /nfs/dbraw/zinc/58/11/63/916581163.db2.gz PZXXAHVLVRVLFI-UHFFFAOYSA-N -1 3 377.368 3.705 20 0 GHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)OC(C)C ZINC001189464774 916667791 /nfs/dbraw/zinc/66/77/91/916667791.db2.gz JWRYFMVZQCBWAG-SFHVURJKSA-N -1 3 399.459 3.726 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC001189530346 916725830 /nfs/dbraw/zinc/72/58/30/916725830.db2.gz VJYVZBPJDIUPBK-UHFFFAOYSA-N -1 3 387.379 3.824 20 0 GHADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cccc(Cl)c1CO ZINC001189531547 916727058 /nfs/dbraw/zinc/72/70/58/916727058.db2.gz JASHAEJLSLPNNU-UHFFFAOYSA-N -1 3 379.787 3.793 20 0 GHADHM Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCCCO3)c1Br ZINC000650196474 916789342 /nfs/dbraw/zinc/78/93/42/916789342.db2.gz UJGZADNKXMZUST-UHFFFAOYSA-N -1 3 398.278 3.720 20 0 GHADHM O=S(=O)([N-]C1CCC(OC(F)F)CC1)c1cc(C(F)(F)F)ccc1F ZINC000650295113 916863282 /nfs/dbraw/zinc/86/32/82/916863282.db2.gz VYPVURRLQURMIN-UHFFFAOYSA-N -1 3 391.333 3.673 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c(Cl)n1 ZINC001189727764 916887095 /nfs/dbraw/zinc/88/70/95/916887095.db2.gz XOQHCVUZNCUBDF-UHFFFAOYSA-N -1 3 397.081 3.655 20 0 GHADHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189772786 916908608 /nfs/dbraw/zinc/90/86/08/916908608.db2.gz DKCYDPCRMCSEEH-UHFFFAOYSA-N -1 3 384.723 3.586 20 0 GHADHM C[C@H]1Cc2cccc(S(=O)(=O)[N-][C@@H](c3ccc(F)cc3)C(F)(F)F)c2O1 ZINC001190016476 917034465 /nfs/dbraw/zinc/03/44/65/917034465.db2.gz OICMUPWGMIHBNP-QFYYESIMSA-N -1 3 389.370 3.731 20 0 GHADHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1F ZINC001189993197 917051756 /nfs/dbraw/zinc/05/17/56/917051756.db2.gz JYTUZUYAASGGRS-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1cnc2ccccc2c1 ZINC001190024271 917061871 /nfs/dbraw/zinc/06/18/71/917061871.db2.gz LJLQHFFYHFPZQV-MRXNPFEDSA-N -1 3 384.354 3.956 20 0 GHADHM CN(C)Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC001190322288 917242028 /nfs/dbraw/zinc/24/20/28/917242028.db2.gz ZBLZWBUTVNEGOS-UHFFFAOYSA-N -1 3 376.375 3.707 20 0 GHADHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190339362 917270423 /nfs/dbraw/zinc/27/04/23/917270423.db2.gz QWPATONUABYWSF-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C(F)(F)F ZINC001190400970 917300666 /nfs/dbraw/zinc/30/06/66/917300666.db2.gz DOPYMEOOVAFRRL-UHFFFAOYSA-N -1 3 399.312 3.610 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C2CC2)cc1)c1ccc2ccccc2c1 ZINC001190524882 917382200 /nfs/dbraw/zinc/38/22/00/917382200.db2.gz IJVFYRZAUCMMFG-NRFANRHFSA-N -1 3 395.480 3.910 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC001191180011 917834380 /nfs/dbraw/zinc/83/43/80/917834380.db2.gz JVRCNPOSUHPNJG-UHFFFAOYSA-N -1 3 392.290 3.598 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2cn(C)c3ccc(F)cc23)c1 ZINC001191291961 917901206 /nfs/dbraw/zinc/90/12/06/917901206.db2.gz FMWRKOMDXYHRIX-LBPRGKRZSA-N -1 3 395.887 3.584 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(F)c1 ZINC001191370073 917970879 /nfs/dbraw/zinc/97/08/79/917970879.db2.gz NTGYIVCEPQXJMK-UHFFFAOYSA-N -1 3 392.221 3.927 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Cl)cc1 ZINC001191451508 917983099 /nfs/dbraw/zinc/98/30/99/917983099.db2.gz ZXTXVEYRIJNEKZ-UHFFFAOYSA-N -1 3 375.780 3.596 20 0 GHADHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2F)c2ccco2)cc1 ZINC001191411805 917988442 /nfs/dbraw/zinc/98/84/42/917988442.db2.gz CZYDTUVSIMAFSN-IBGZPJMESA-N -1 3 375.421 3.804 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2Cl)cc1 ZINC001191455419 918024370 /nfs/dbraw/zinc/02/43/70/918024370.db2.gz AEGZHOYKLHUZDE-UHFFFAOYSA-N -1 3 381.837 3.520 20 0 GHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccn(CC3CC3)c(=O)c2)c1Cl ZINC001191776711 918180371 /nfs/dbraw/zinc/18/03/71/918180371.db2.gz KLGAMHJIBCTLTK-UHFFFAOYSA-N -1 3 387.288 3.674 20 0 GHADHM COc1cc(CN(C)Cc2cc(=O)oc3cc([O-])ccc23)ccc1OC(F)F ZINC000016591947 919442250 /nfs/dbraw/zinc/44/22/50/919442250.db2.gz JRUDNWFEPAMYCG-UHFFFAOYSA-N -1 3 391.370 3.741 20 0 GHADHM Cc1ccc(F)c(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000119449728 919630667 /nfs/dbraw/zinc/63/06/67/919630667.db2.gz VMADIRKRNLOOMC-UHFFFAOYSA-N -1 3 382.432 3.602 20 0 GHADHM CCn1c(=O)c2sccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000364738910 919930285 /nfs/dbraw/zinc/93/02/85/919930285.db2.gz KYERWONMGQGIFM-UHFFFAOYSA-N -1 3 386.458 3.526 20 0 GHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)N[C@H](CN(C)C)C(=O)[O-] ZINC000900332694 920197824 /nfs/dbraw/zinc/19/78/24/920197824.db2.gz FJBSFYXMYZRSOP-QGZVFWFLSA-N -1 3 379.526 3.556 20 0 GHADHM CO[C@@H](C)c1nsc([N-]C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)n1 ZINC000800993461 920674313 /nfs/dbraw/zinc/67/43/13/920674313.db2.gz XPEFTJUCHGVASL-NSHDSACASA-N -1 3 391.884 3.704 20 0 GHADHM CON1CC[C@H](S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1=O ZINC000902284504 922058093 /nfs/dbraw/zinc/05/80/93/922058093.db2.gz XZKZMBFFXYMGGP-SKDRFNHKSA-N -1 3 391.474 3.613 20 0 GHADHM O=C([O-])Cn1cc(CN[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)nn1 ZINC000902351824 922112395 /nfs/dbraw/zinc/11/23/95/922112395.db2.gz RMZOXVYRZHSGKE-DOTOQJQBSA-N -1 3 396.413 3.588 20 0 GHADHM CC(=O)N1CC[C@@H](NCc2ccc(C(=O)[O-])cc2C(F)(F)F)c2ccccc21 ZINC000902391564 922155714 /nfs/dbraw/zinc/15/57/14/922155714.db2.gz WYKBBQBCVDOLTR-QGZVFWFLSA-N -1 3 392.377 3.991 20 0 GHADHM C[C@@H](Oc1ccc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1)C(=O)[O-] ZINC000902491874 922237083 /nfs/dbraw/zinc/23/70/83/922237083.db2.gz MZRZJWAHPKNUKY-XHBKTUGNSA-N -1 3 395.377 3.563 20 0 GHADHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(Cc4ccccc4)nc3-c3cccs3)C[C@@H]21 ZINC000902554576 922277881 /nfs/dbraw/zinc/27/78/81/922277881.db2.gz TVFVGXCNCPDCDX-WSTZPKSXSA-N -1 3 393.512 3.812 20 0 GHADHM C[C@@H]1CC2(CC([N-]C(=O)C(F)(F)c3ncc(C(F)(F)F)cc3Cl)C2)CO1 ZINC000903028555 922719700 /nfs/dbraw/zinc/71/97/00/922719700.db2.gz RAAYAIOOZWAGAZ-CCMBEOLZSA-N -1 3 398.759 3.919 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@H]1CC(=O)[O-] ZINC000903631408 923140348 /nfs/dbraw/zinc/14/03/48/923140348.db2.gz SAXXAUXCMXPITF-VXGBXAGGSA-N -1 3 379.254 3.647 20 0 GHADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@H](Cc2nccs2)C1 ZINC000903632549 923141921 /nfs/dbraw/zinc/14/19/21/923141921.db2.gz ZLXMIEKAAAVLOF-CQSZACIVSA-N -1 3 383.473 3.951 20 0 GHADHM O=C([O-])c1ccc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)s1 ZINC000903685685 923200194 /nfs/dbraw/zinc/20/01/94/923200194.db2.gz XZYPJSFAYMOPLY-UHFFFAOYSA-N -1 3 385.407 3.949 20 0 GHADHM O=C([O-])C1(CCN2CCN(Cc3csc(-c4ccccc4)n3)CC2)CCC1 ZINC000903698162 923216128 /nfs/dbraw/zinc/21/61/28/923216128.db2.gz UKUCTNMHTBQCJX-UHFFFAOYSA-N -1 3 385.533 3.573 20 0 GHADHM O=C([O-])c1ccc(Br)c(CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000903907791 923388779 /nfs/dbraw/zinc/38/87/79/923388779.db2.gz TWUOXBAWGNKHIW-UHFFFAOYSA-N -1 3 382.298 3.664 20 0 GHADHM COc1ccc(F)cc1-c1cncc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c1 ZINC000903911594 923393909 /nfs/dbraw/zinc/39/39/09/923393909.db2.gz KFWQUJLAGGRLKM-CMKODMSKSA-N -1 3 384.451 3.972 20 0 GHADHM O=C([O-])c1cnc([C@@H]2CCN(CCc3ccccc3Br)C2)s1 ZINC000903929529 923405971 /nfs/dbraw/zinc/40/59/71/923405971.db2.gz YZFGVHFARDPATJ-GFCCVEGCSA-N -1 3 381.295 3.636 20 0 GHADHM C[C@@H]1C[C@H](C)N(Cc2cc3c(cc2Br)OCCO3)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903949205 923431452 /nfs/dbraw/zinc/43/14/52/923431452.db2.gz KNGULDWOKZNVCK-QLQJRFMMSA-N -1 3 398.297 3.540 20 0 GHADHM Cc1ccc(C[C@H](CNCc2ncc(Br)cc2Cl)C(=O)[O-])cc1 ZINC000903993199 923454604 /nfs/dbraw/zinc/45/46/04/923454604.db2.gz NIWNSNOWYPMLFX-CYBMUJFWSA-N -1 3 397.700 3.839 20 0 GHADHM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000748642227 923770018 /nfs/dbraw/zinc/77/00/18/923770018.db2.gz AODVQOIKRLAZKI-INIZCTEOSA-N -1 3 397.500 3.569 20 0 GHADHM CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C(C)C)cc1 ZINC000677213183 924285917 /nfs/dbraw/zinc/28/59/17/924285917.db2.gz LHBIKMJGDRJVTR-GOSISDBHSA-N -1 3 390.867 3.837 20 0 GHADHM CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C(C)C)cc1 ZINC000677213184 924285943 /nfs/dbraw/zinc/28/59/43/924285943.db2.gz LHBIKMJGDRJVTR-SFHVURJKSA-N -1 3 390.867 3.837 20 0 GHADHM COc1cc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000677876015 924534024 /nfs/dbraw/zinc/53/40/24/924534024.db2.gz ZMYNLLBGKZMMKL-IERDGZPVSA-N -1 3 385.460 3.649 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OC4CCC4)cc3)cc2)n1 ZINC000409631645 924828263 /nfs/dbraw/zinc/82/82/63/924828263.db2.gz LGGRKQJBNBSCDA-UHFFFAOYSA-N -1 3 375.428 3.929 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCC2CCOCC2)[nH][n-]1 ZINC000409628579 924831157 /nfs/dbraw/zinc/83/11/57/924831157.db2.gz CFTDEYWCMOJKGU-UHFFFAOYSA-N -1 3 377.872 3.696 20 0 GHADHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1CC ZINC000678715916 924892323 /nfs/dbraw/zinc/89/23/23/924892323.db2.gz ITDCLDQINXQENT-UHFFFAOYSA-N -1 3 386.517 3.911 20 0 GHADHM CCN(Cc1ccoc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679551486 925179304 /nfs/dbraw/zinc/17/93/04/925179304.db2.gz FRAORWJJBGBPMU-NRFANRHFSA-N -1 3 392.455 3.895 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1OCC ZINC000679924701 925309096 /nfs/dbraw/zinc/30/90/96/925309096.db2.gz WJMRXOMGJUXACB-UHFFFAOYSA-N -1 3 383.441 3.741 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCc3sccc3C2)c1 ZINC000680435950 925478097 /nfs/dbraw/zinc/47/80/97/925478097.db2.gz GKSAGTRPIOFLCV-UHFFFAOYSA-N -1 3 397.456 3.591 20 0 GHADHM COc1cccc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000410331252 925544855 /nfs/dbraw/zinc/54/48/55/925544855.db2.gz VXWJEMRXQMQJGO-UHFFFAOYSA-N -1 3 378.432 3.530 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410418593 925637185 /nfs/dbraw/zinc/63/71/85/925637185.db2.gz KZCDGJWOYHNPLU-UHFFFAOYSA-N -1 3 378.208 3.720 20 0 GHADHM O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000681047242 925706728 /nfs/dbraw/zinc/70/67/28/925706728.db2.gz YHGXCYCTQJOBFS-OAHLLOKOSA-N -1 3 382.357 3.554 20 0 GHADHM O=C(NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)OCc1ccccc1 ZINC000827515049 925739728 /nfs/dbraw/zinc/73/97/28/925739728.db2.gz UOIONYKKOFEZTQ-UHFFFAOYSA-N -1 3 388.851 3.577 20 0 GHADHM Cc1nc(C)c(CC(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000827918754 926280732 /nfs/dbraw/zinc/28/07/32/926280732.db2.gz YSINMMKSNPSYOA-FQEVSTJZSA-N -1 3 391.874 3.758 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Cc3ccc(F)cc3)c2)n1 ZINC000149041007 926379954 /nfs/dbraw/zinc/37/99/54/926379954.db2.gz MKXHAPVSWAGABH-AWEZNQCLSA-N -1 3 379.435 3.956 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CC1)c1ccc(Cl)nc1Cl ZINC000725823092 926458391 /nfs/dbraw/zinc/45/83/91/926458391.db2.gz QBYOHDATYFECBA-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM Cc1[nH]nc2nc(C)cc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)c12 ZINC000750614929 927753888 /nfs/dbraw/zinc/75/38/88/927753888.db2.gz BLIYBYBWQLOGGE-SNVBAGLBSA-N -1 3 397.460 3.820 20 0 GHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCC(C)C)C(C)(C)C ZINC000751109662 928033499 /nfs/dbraw/zinc/03/34/99/928033499.db2.gz WQTFRNOQCMIMJE-ZDUSSCGKSA-N -1 3 390.933 3.651 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000751222867 928078854 /nfs/dbraw/zinc/07/88/54/928078854.db2.gz GYTHNWGMHXDGCU-ZDUSSCGKSA-N -1 3 380.680 3.659 20 0 GHADHM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2[nH]1 ZINC000751223642 928080040 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0 GHADHM O=S(=O)([N-]CC1([C@H](O)c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000752036531 928564133 /nfs/dbraw/zinc/56/41/33/928564133.db2.gz RLOATISBAAQUAD-MRXNPFEDSA-N -1 3 386.300 3.786 20 0 GHADHM O=C(CSc1ccccc1C(=O)Nc1ncccc1[O-])NCC1CCCCC1 ZINC000544024539 928702035 /nfs/dbraw/zinc/70/20/35/928702035.db2.gz WHBVNSJSYBEKEQ-UHFFFAOYSA-N -1 3 399.516 3.828 20 0 GHADHM CC[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000752572271 928900109 /nfs/dbraw/zinc/90/01/09/928900109.db2.gz BRKXQOPLLDETGY-CYBMUJFWSA-N -1 3 399.390 3.760 20 0 GHADHM O=C(C(=Cc1ccc(F)cc1)c1cccs1)N1CCc2c(=O)[n-]cnc2C1 ZINC000752771288 929014658 /nfs/dbraw/zinc/01/46/58/929014658.db2.gz FJFHYYJZCDWYHS-YBEGLDIGSA-N -1 3 381.432 3.508 20 0 GHADHM Cc1ncc(CNC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000544302652 929035635 /nfs/dbraw/zinc/03/56/35/929035635.db2.gz JMXUMEMCUPPOHI-UHFFFAOYSA-N -1 3 383.279 3.574 20 0 GHADHM CCc1cnc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000544350483 929082086 /nfs/dbraw/zinc/08/20/86/929082086.db2.gz DBXCABFHWJNRNH-UHFFFAOYSA-N -1 3 379.913 3.915 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000753232238 929262970 /nfs/dbraw/zinc/26/29/70/929262970.db2.gz XKTXXZXCECUAMG-JQHSSLGASA-N -1 3 388.508 3.720 20 0 GHADHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(OC(F)(F)F)c1 ZINC000753766514 929523612 /nfs/dbraw/zinc/52/36/12/929523612.db2.gz DPZHUENGPQZESU-SNVBAGLBSA-N -1 3 377.322 3.725 20 0 GHADHM CCc1noc([C@H](C)OC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000757726984 929784623 /nfs/dbraw/zinc/78/46/23/929784623.db2.gz QVWPVGAEPQCHCS-VIFPVBQESA-N -1 3 391.225 3.703 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1scnc1Br ZINC000757853698 929826320 /nfs/dbraw/zinc/82/63/20/929826320.db2.gz MZMMSFQQWUKVET-UHFFFAOYSA-N -1 3 378.045 3.626 20 0 GHADHM CN(C)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1c(F)cccc1F ZINC000469381750 929835636 /nfs/dbraw/zinc/83/56/36/929835636.db2.gz QHEFORKCPNHQRI-KRWDZBQOSA-N -1 3 380.410 3.551 20 0 GHADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c(C)o1 ZINC000546288582 930024220 /nfs/dbraw/zinc/02/42/20/930024220.db2.gz QRADLYFTDUJWDR-UHFFFAOYSA-N -1 3 388.232 3.520 20 0 GHADHM O=C(N[C@@H]1C=CCCC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469704290 930097634 /nfs/dbraw/zinc/09/76/34/930097634.db2.gz PPYZESKYHYSVGE-SNVBAGLBSA-N -1 3 381.657 3.783 20 0 GHADHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469800046 930168403 /nfs/dbraw/zinc/16/84/03/930168403.db2.gz QHIYQAWBODTSRH-SPLOXXLWSA-N -1 3 375.440 3.755 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000759098414 930273032 /nfs/dbraw/zinc/27/30/32/930273032.db2.gz FDBYDAQRMAPCRG-GOEBONIOSA-N -1 3 376.497 3.720 20 0 GHADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000546635388 930313917 /nfs/dbraw/zinc/31/39/17/930313917.db2.gz FCLIQZLHZPPKPY-ZDUSSCGKSA-N -1 3 386.926 3.699 20 0 GHADHM CCS[C@@H](C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000547191503 930783532 /nfs/dbraw/zinc/78/35/32/930783532.db2.gz HGGZESSHAWUBDP-JTQLQIEISA-N -1 3 387.502 3.767 20 0 GHADHM COc1ccc(C(=O)[N-]c2nc(-c3ccsc3)ns2)nc1Br ZINC000781652526 930926372 /nfs/dbraw/zinc/92/63/72/930926372.db2.gz ZDURBJTUNHFHRX-UHFFFAOYSA-N -1 3 397.279 3.685 20 0 GHADHM CC(C)(C)c1nnc2ccc(C(=O)Nc3ccc(Br)cc3[O-])cn21 ZINC000547422996 931003082 /nfs/dbraw/zinc/00/30/82/931003082.db2.gz DVYCVXDVAOKXGX-UHFFFAOYSA-N -1 3 389.253 3.747 20 0 GHADHM Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782075509 931081831 /nfs/dbraw/zinc/08/18/31/931081831.db2.gz UZSCTYNDWKATJE-UHFFFAOYSA-N -1 3 390.399 3.602 20 0 GHADHM O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1cc2sccc2c([O-])c1 ZINC000924171613 931251870 /nfs/dbraw/zinc/25/18/70/931251870.db2.gz XSXVWTHMMVKGAP-HNNXBMFYSA-N -1 3 375.490 3.703 20 0 GHADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)ccc1F ZINC000782542345 931263952 /nfs/dbraw/zinc/26/39/52/931263952.db2.gz SNGOQUJYPZZICD-UHFFFAOYSA-N -1 3 393.367 3.812 20 0 GHADHM CCc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cnn1-c1ccccc1 ZINC000782691658 931304557 /nfs/dbraw/zinc/30/45/57/931304557.db2.gz CUJAXQQQDICHRK-UHFFFAOYSA-N -1 3 390.399 3.547 20 0 GHADHM Cc1ccc2[n-]cc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c(=O)c2c1 ZINC000557417188 931413512 /nfs/dbraw/zinc/41/35/12/931413512.db2.gz AXHCDLVSKONRHR-UHFFFAOYSA-N -1 3 390.443 3.717 20 0 GHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2cc([O-])cc(F)c2)c2nccn2C)c1 ZINC000924622951 931451711 /nfs/dbraw/zinc/45/17/11/931451711.db2.gz LPSLNLKMZWOCBE-XCLFUZPHSA-N -1 3 385.439 3.722 20 0 GHADHM COc1ccccc1C/C(C)=C/C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783534350 931574431 /nfs/dbraw/zinc/57/44/31/931574431.db2.gz ZGELYXTXBRUJCU-WYMLVPIESA-N -1 3 380.400 3.683 20 0 GHADHM CCNC(=O)Nc1cccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1C ZINC000557663913 931599445 /nfs/dbraw/zinc/59/94/45/931599445.db2.gz MZSVCZALFMWNCA-UHFFFAOYSA-N -1 3 378.432 3.539 20 0 GHADHM COc1ccc(C)cc1-c1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000783677997 931615353 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O=C(OCc1noc(-c2ccccc2[O-])n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000783942526 931725618 /nfs/dbraw/zinc/72/56/18/931725618.db2.gz GCCZHTBTRGOJDA-VGOFRKELSA-N -1 3 376.412 3.780 20 0 GHADHM COc1ccc2[nH]cc(C3CCN(C(=O)N=c4cc5ccccn5[n-]4)CC3)c2c1 ZINC000558463564 932017024 /nfs/dbraw/zinc/01/70/24/932017024.db2.gz ISCXDWQUPKHFTN-UHFFFAOYSA-N -1 3 389.459 3.658 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000558468126 932019387 /nfs/dbraw/zinc/01/93/87/932019387.db2.gz FKUNKYMKXHPTFV-IBGZPJMESA-N -1 3 390.418 3.837 20 0 GHADHM CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000784893913 932020360 /nfs/dbraw/zinc/02/03/60/932020360.db2.gz OZYXOEHIIIKFNZ-MRXNPFEDSA-N -1 3 387.451 3.834 20 0 GHADHM CC(C)N(Cc1ccc(Br)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000558468574 932020325 /nfs/dbraw/zinc/02/03/25/932020325.db2.gz PSCYZHOSQWIVRK-UHFFFAOYSA-N -1 3 387.281 3.961 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1 ZINC000777600404 932189863 /nfs/dbraw/zinc/18/98/63/932189863.db2.gz VNFNBRORXKBRML-UHFFFAOYSA-N -1 3 389.477 3.574 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000798250482 932577293 /nfs/dbraw/zinc/57/72/93/932577293.db2.gz NVDUPSBACMDFAR-UHFFFAOYSA-N -1 3 377.857 3.699 20 0 GHADHM CCCCC1CCC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000798388213 932625336 /nfs/dbraw/zinc/62/53/36/932625336.db2.gz GOBRNADOOZEOSC-UHFFFAOYSA-N -1 3 391.478 3.836 20 0 GHADHM C[C@]1([C@@H]2CCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)COC(=O)N1 ZINC000928025691 932769648 /nfs/dbraw/zinc/76/96/48/932769648.db2.gz OFTRCGCYCBVAIC-IVZQSRNASA-N -1 3 396.443 3.535 20 0 GHADHM Cc1cccc(C2(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)CCCC2)c1 ZINC000799023305 932854092 /nfs/dbraw/zinc/85/40/92/932854092.db2.gz XNATVTRUFWZMLC-UHFFFAOYSA-N -1 3 396.453 3.724 20 0 GHADHM Cc1ncc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)c(C2CC2)n1 ZINC000799186358 932905049 /nfs/dbraw/zinc/90/50/49/932905049.db2.gz UBMIWIZIGAVZHK-FPLPWBNLSA-N -1 3 394.294 3.838 20 0 GHADHM COc1cc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cc2c1OCCO2 ZINC000559989438 933001318 /nfs/dbraw/zinc/00/13/18/933001318.db2.gz KMNREPZWETUZHV-UZUQRXQVSA-N -1 3 397.471 3.679 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)cc1 ZINC000560009107 933017633 /nfs/dbraw/zinc/01/76/33/933017633.db2.gz FYQKWHRUKWUPIM-UHFFFAOYSA-N -1 3 390.480 3.501 20 0 GHADHM CC(=O)c1cccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1[O-] ZINC000560551661 933337020 /nfs/dbraw/zinc/33/70/20/933337020.db2.gz CYTOORJSYFIIBR-OAHLLOKOSA-N -1 3 390.848 3.690 20 0 GHADHM O=C1[C@@H](NCc2cccc([O-])c2Br)CCCN1C1CCCCC1 ZINC000560612270 933387138 /nfs/dbraw/zinc/38/71/38/933387138.db2.gz CQVAFXNBXFBLQW-HNNXBMFYSA-N -1 3 381.314 3.568 20 0 GHADHM CC(C)c1nc(CN[C@H](Cc2cccc(Br)c2)C(=O)[O-])cs1 ZINC001116780444 933751826 /nfs/dbraw/zinc/75/18/26/933751826.db2.gz OVIKSNUQDTYUJV-CQSZACIVSA-N -1 3 383.311 3.815 20 0 GHADHM Cc1nc(C)c(CC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c(=O)[n-]1 ZINC000560991825 933760235 /nfs/dbraw/zinc/76/02/35/933760235.db2.gz BIBIIHQGTJCGMT-UHFFFAOYSA-N -1 3 393.409 3.799 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)cc1F ZINC000561098933 933862920 /nfs/dbraw/zinc/86/29/20/933862920.db2.gz JPQSTLSQACDWOP-DOTOQJQBSA-N -1 3 387.835 3.735 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001117453723 933940752 /nfs/dbraw/zinc/94/07/52/933940752.db2.gz PRFZOEDREXYIKR-KRWDZBQOSA-N -1 3 395.381 3.589 20 0 GHADHM CC(C)Cc1nnc([N-]C(=O)c2nc(C(C)C)ncc2Br)s1 ZINC000930417161 934036841 /nfs/dbraw/zinc/03/68/41/934036841.db2.gz OMXUPTBJNCMJFW-UHFFFAOYSA-N -1 3 384.303 3.665 20 0 GHADHM Cc1ccn(-c2ccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)cc2)n1 ZINC000561355867 934077425 /nfs/dbraw/zinc/07/74/25/934077425.db2.gz PANBHJTZICMTJZ-UHFFFAOYSA-N -1 3 376.391 3.722 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CCC(c4ccc(O)cc4)CC3)o2)CC1 ZINC001120262877 934452449 /nfs/dbraw/zinc/45/24/49/934452449.db2.gz FWWRENIKHZWINL-UHFFFAOYSA-N -1 3 384.476 3.666 20 0 GHADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000778046302 934783203 /nfs/dbraw/zinc/78/32/03/934783203.db2.gz MLAUOPHCNJHJJC-CYBMUJFWSA-N -1 3 384.288 3.836 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)c1ccc(C)o1 ZINC000778058939 934813133 /nfs/dbraw/zinc/81/31/33/934813133.db2.gz QFWVHDSWVMSXRJ-OAHLLOKOSA-N -1 3 385.869 3.500 20 0 GHADHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000778061116 934826574 /nfs/dbraw/zinc/82/65/74/934826574.db2.gz SBFKIRAEQBDZCH-FZMZJTMJSA-N -1 3 381.325 3.651 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC001123291802 935146087 /nfs/dbraw/zinc/14/60/87/935146087.db2.gz LZEYHSCCLDGBAS-WMZOPIPTSA-N -1 3 395.463 3.549 20 0 GHADHM O=C(OC[C@H]1CCOC2(CCOCC2)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC001123381568 935175367 /nfs/dbraw/zinc/17/53/67/935175367.db2.gz FWOUQXBQJGTDEB-LBPRGKRZSA-N -1 3 380.391 3.633 20 0 GHADHM Cc1onc(-c2cccs2)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC001124339039 935376880 /nfs/dbraw/zinc/37/68/80/935376880.db2.gz ZDCFTZIWTSMRCE-UHFFFAOYSA-N -1 3 380.422 3.506 20 0 GHADHM O=C([N-]OCc1cccnc1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001137650072 935670295 /nfs/dbraw/zinc/67/02/95/935670295.db2.gz AUUKTXAELVPYGL-UHFFFAOYSA-N -1 3 393.134 3.864 20 0 GHADHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCc2cc(Br)ccc21 ZINC000829532791 935823543 /nfs/dbraw/zinc/82/35/43/935823543.db2.gz DBKSSIGIOQJJTQ-HNNXBMFYSA-N -1 3 389.249 3.595 20 0 GHADHM O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc2n[n-]nc21 ZINC001137862860 935832162 /nfs/dbraw/zinc/83/21/62/935832162.db2.gz TUDOFYRXKQZMFK-UHFFFAOYSA-N -1 3 381.288 3.928 20 0 GHADHM O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000829889249 935878144 /nfs/dbraw/zinc/87/81/44/935878144.db2.gz NUHSKCAZLRAAAH-UHFFFAOYSA-N -1 3 397.500 3.573 20 0 GHADHM Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C(=O)[O-])c1 ZINC000908883998 939345223 /nfs/dbraw/zinc/34/52/23/939345223.db2.gz GVQYMMMMFFANSQ-QMMLZNLJSA-N -1 3 395.503 3.564 20 0 GHADHM Brc1cc(Nc2cccc(Cn3cccn3)c2)ccc1-c1nnn[n-]1 ZINC001573279789 946648086 /nfs/dbraw/zinc/64/80/86/946648086.db2.gz NFUMTIXZBKLODZ-UHFFFAOYSA-N -1 3 396.252 3.618 20 0 GHADHM Brc1cc(Nc2cccc(Cn3cccn3)c2)ccc1-c1nn[n-]n1 ZINC001573279789 946648090 /nfs/dbraw/zinc/64/80/90/946648090.db2.gz NFUMTIXZBKLODZ-UHFFFAOYSA-N -1 3 396.252 3.618 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001573554195 946895768 /nfs/dbraw/zinc/89/57/68/946895768.db2.gz OJEPSOUKLOYNPQ-UHFFFAOYSA-N -1 3 395.422 3.893 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001573554195 946895776 /nfs/dbraw/zinc/89/57/76/946895776.db2.gz OJEPSOUKLOYNPQ-UHFFFAOYSA-N -1 3 395.422 3.893 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)ccc1OC(C)C ZINC001573554200 946896977 /nfs/dbraw/zinc/89/69/77/946896977.db2.gz OLRNJSYXUGCSGZ-UHFFFAOYSA-N -1 3 399.838 3.762 20 0 GHADHM CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)ccc1OC(C)C ZINC001573554200 946896984 /nfs/dbraw/zinc/89/69/84/946896984.db2.gz OLRNJSYXUGCSGZ-UHFFFAOYSA-N -1 3 399.838 3.762 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(F)c2ccccc12 ZINC001573554379 946899799 /nfs/dbraw/zinc/89/97/99/946899799.db2.gz SHZLJDYJZSKJFA-UHFFFAOYSA-N -1 3 375.363 3.614 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(F)c2ccccc12 ZINC001573554379 946899808 /nfs/dbraw/zinc/89/98/08/946899808.db2.gz SHZLJDYJZSKJFA-UHFFFAOYSA-N -1 3 375.363 3.614 20 0 GHADHM C=C/C=C/CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573315583 947255973 /nfs/dbraw/zinc/25/59/73/947255973.db2.gz NFWDCVBROGBTJO-ONEGZZNKSA-N -1 3 377.473 3.880 20 0 GHADHM C=C/C=C/CCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573315583 947255986 /nfs/dbraw/zinc/25/59/86/947255986.db2.gz NFWDCVBROGBTJO-ONEGZZNKSA-N -1 3 377.473 3.880 20 0 GHADHM C[C@H](C(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br)c1cccs1 ZINC001573754738 948747971 /nfs/dbraw/zinc/74/79/71/948747971.db2.gz JMDZTVMRHHZNPR-ZETCQYMHSA-N -1 3 397.229 3.539 20 0 GHADHM C[C@H](C(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br)c1cccs1 ZINC001573754738 948747978 /nfs/dbraw/zinc/74/79/78/948747978.db2.gz JMDZTVMRHHZNPR-ZETCQYMHSA-N -1 3 397.229 3.539 20 0 GHADHM CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)cc1 ZINC001574418116 948772523 /nfs/dbraw/zinc/77/25/23/948772523.db2.gz RRMVJYKTGVUKEE-UHFFFAOYSA-N -1 3 377.448 3.885 20 0 GHADHM CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)cc1 ZINC001574418116 948772535 /nfs/dbraw/zinc/77/25/35/948772535.db2.gz RRMVJYKTGVUKEE-UHFFFAOYSA-N -1 3 377.448 3.885 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)c1ccsc1 ZINC001573756376 948812343 /nfs/dbraw/zinc/81/23/43/948812343.db2.gz PNONXAFJHIXVKU-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)c1ccsc1 ZINC001573756376 948812360 /nfs/dbraw/zinc/81/23/60/948812360.db2.gz PNONXAFJHIXVKU-GFCCVEGCSA-N -1 3 392.444 3.858 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091451 949014835 /nfs/dbraw/zinc/01/48/35/949014835.db2.gz NJIQQUBCZMBGAX-FUHIMQAGSA-N -1 3 399.539 3.991 20 0 GHADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC001574091451 949014850 /nfs/dbraw/zinc/01/48/50/949014850.db2.gz NJIQQUBCZMBGAX-FUHIMQAGSA-N -1 3 399.539 3.991 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001575502943 949034473 /nfs/dbraw/zinc/03/44/73/949034473.db2.gz LTORCDDSTYJXPD-ZDUSSCGKSA-N -1 3 397.479 3.682 20 0 GHADHM C[C@H](Sc1ccc(F)cc1)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001575502943 949034488 /nfs/dbraw/zinc/03/44/88/949034488.db2.gz LTORCDDSTYJXPD-ZDUSSCGKSA-N -1 3 397.479 3.682 20 0 GHADHM C[C@H](CCc1cccn1C)Nc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001574693331 949054410 /nfs/dbraw/zinc/05/44/10/949054410.db2.gz GSUKVXBUNHISJH-GFCCVEGCSA-N -1 3 381.871 3.840 20 0 GHADHM C[C@H](CCc1cccn1C)Nc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001574693331 949054434 /nfs/dbraw/zinc/05/44/34/949054434.db2.gz GSUKVXBUNHISJH-GFCCVEGCSA-N -1 3 381.871 3.840 20 0 GHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001575504886 949093492 /nfs/dbraw/zinc/09/34/92/949093492.db2.gz WAMUUHQKQINJLO-XFQXTVEOSA-N -1 3 375.476 3.970 20 0 GHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001575504886 949093518 /nfs/dbraw/zinc/09/35/18/949093518.db2.gz WAMUUHQKQINJLO-XFQXTVEOSA-N -1 3 375.476 3.970 20 0 GHADHM CC(C)C1CCC(CNC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC1 ZINC001574093590 949110494 /nfs/dbraw/zinc/11/04/94/949110494.db2.gz WEQPSKKNABICBH-UHFFFAOYSA-N -1 3 378.427 3.729 20 0 GHADHM CC(C)C1CCC(CNC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC1 ZINC001574093590 949110502 /nfs/dbraw/zinc/11/05/02/949110502.db2.gz WEQPSKKNABICBH-UHFFFAOYSA-N -1 3 378.427 3.729 20 0 GHADHM C[C@@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001575264814 949438378 /nfs/dbraw/zinc/43/83/78/949438378.db2.gz QTRAMLFKTXLWRG-WWQCOOJYSA-N -1 3 393.394 3.838 20 0 GHADHM C[C@@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001575264814 949438394 /nfs/dbraw/zinc/43/83/94/949438394.db2.gz QTRAMLFKTXLWRG-WWQCOOJYSA-N -1 3 393.394 3.838 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001576166464 949579643 /nfs/dbraw/zinc/57/96/43/949579643.db2.gz LRTMTGWUWLBRKM-MEBBXXQBSA-N -1 3 398.280 3.776 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001576166464 949579671 /nfs/dbraw/zinc/57/96/71/949579671.db2.gz LRTMTGWUWLBRKM-MEBBXXQBSA-N -1 3 398.280 3.776 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575272267 949638077 /nfs/dbraw/zinc/63/80/77/949638077.db2.gz OEPHNLADJJCAPO-OAHLLOKOSA-N -1 3 375.476 3.944 20 0 GHADHM C[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575272267 949638094 /nfs/dbraw/zinc/63/80/94/949638094.db2.gz OEPHNLADJJCAPO-OAHLLOKOSA-N -1 3 375.476 3.944 20 0 GHADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001576173793 949841965 /nfs/dbraw/zinc/84/19/65/949841965.db2.gz YZCXDVKPUAQTJT-SUMWQHHRSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001576173793 949841983 /nfs/dbraw/zinc/84/19/83/949841983.db2.gz YZCXDVKPUAQTJT-SUMWQHHRSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001576173791 949846385 /nfs/dbraw/zinc/84/63/85/949846385.db2.gz YZCXDVKPUAQTJT-DYVFJYSZSA-N -1 3 378.436 3.819 20 0 GHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001576173791 949846409 /nfs/dbraw/zinc/84/64/09/949846409.db2.gz YZCXDVKPUAQTJT-DYVFJYSZSA-N -1 3 378.436 3.819 20 0 GHADHM CCCN(C)[C@H](CNC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589660065 949858532 /nfs/dbraw/zinc/85/85/32/949858532.db2.gz XVTNBZGAYNLKDE-MRXNPFEDSA-N -1 3 390.871 3.638 20 0 GHADHM C[C@@]1(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCc2ccccc21 ZINC001575564606 949863065 /nfs/dbraw/zinc/86/30/65/949863065.db2.gz QRLCTOUUEZVBHM-NFBKMPQASA-N -1 3 387.487 3.655 20 0 GHADHM C[C@@]1(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCc2ccccc21 ZINC001575564606 949863083 /nfs/dbraw/zinc/86/30/83/949863083.db2.gz QRLCTOUUEZVBHM-NFBKMPQASA-N -1 3 387.487 3.655 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC001576181944 950029351 /nfs/dbraw/zinc/02/93/51/950029351.db2.gz WTGKOVVRSLVOEY-QRWLVFNGSA-N -1 3 391.475 3.811 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC001576181944 950029372 /nfs/dbraw/zinc/02/93/72/950029372.db2.gz WTGKOVVRSLVOEY-QRWLVFNGSA-N -1 3 391.475 3.811 20 0 GHADHM C[C@@H](CC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(F)cc1F ZINC001574491943 950048753 /nfs/dbraw/zinc/04/87/53/950048753.db2.gz HEAYCSJLEAPGLF-HXPMCKFVSA-N -1 3 397.429 3.832 20 0 GHADHM C[C@@H](CC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1F ZINC001574491943 950048775 /nfs/dbraw/zinc/04/87/75/950048775.db2.gz HEAYCSJLEAPGLF-HXPMCKFVSA-N -1 3 397.429 3.832 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)CC12CCCCC2 ZINC001576190994 950181244 /nfs/dbraw/zinc/18/12/44/950181244.db2.gz FNZDABPFSPISPT-CQSZACIVSA-N -1 3 378.480 3.781 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)CC12CCCCC2 ZINC001576190994 950181255 /nfs/dbraw/zinc/18/12/55/950181255.db2.gz FNZDABPFSPISPT-CQSZACIVSA-N -1 3 378.480 3.781 20 0 GHADHM CC(C)C[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC001574168161 950508565 /nfs/dbraw/zinc/50/85/65/950508565.db2.gz QITXMQXDUJTGKN-VQIMIIECSA-N -1 3 385.512 3.555 20 0 GHADHM CC(C)C[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC001574168161 950508578 /nfs/dbraw/zinc/50/85/78/950508578.db2.gz QITXMQXDUJTGKN-VQIMIIECSA-N -1 3 385.512 3.555 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4C3)c2-c2nnn[n-]2)C1 ZINC001576214509 950673924 /nfs/dbraw/zinc/67/39/24/950673924.db2.gz BHUNTPXRSNXYIW-DOMZBBRYSA-N -1 3 393.516 3.797 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCc4ccccc4C3)c2-c2nn[n-]n2)C1 ZINC001576214509 950673936 /nfs/dbraw/zinc/67/39/36/950673936.db2.gz BHUNTPXRSNXYIW-DOMZBBRYSA-N -1 3 393.516 3.797 20 0 GHADHM CC1(C)C(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)C1(C)C ZINC001575625410 950685776 /nfs/dbraw/zinc/68/57/76/950685776.db2.gz RABDVFITEYNIQC-UHFFFAOYSA-N -1 3 391.475 3.610 20 0 GHADHM CC1(C)C(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)C1(C)C ZINC001575625410 950685794 /nfs/dbraw/zinc/68/57/94/950685794.db2.gz RABDVFITEYNIQC-UHFFFAOYSA-N -1 3 391.475 3.610 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC001574520456 950735822 /nfs/dbraw/zinc/73/58/22/950735822.db2.gz SHWCOTHULWDKOM-SECBINFHSA-N -1 3 377.782 3.931 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC001574520456 950735850 /nfs/dbraw/zinc/73/58/50/950735850.db2.gz SHWCOTHULWDKOM-SECBINFHSA-N -1 3 377.782 3.931 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(F)(F)F ZINC001574520698 950746831 /nfs/dbraw/zinc/74/68/31/950746831.db2.gz XKDVZQMHQJRWTD-JTQLQIEISA-N -1 3 392.341 3.581 20 0 GHADHM C[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(F)(F)F ZINC001574520698 950746841 /nfs/dbraw/zinc/74/68/41/950746841.db2.gz XKDVZQMHQJRWTD-JTQLQIEISA-N -1 3 392.341 3.581 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)cc1 ZINC001573881923 950759645 /nfs/dbraw/zinc/75/96/45/950759645.db2.gz JULYROHZEFTRHC-UHFFFAOYSA-N -1 3 375.476 3.686 20 0 GHADHM CC(C)(C)c1ccc(CC(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)cc1 ZINC001573881923 950759656 /nfs/dbraw/zinc/75/96/56/950759656.db2.gz JULYROHZEFTRHC-UHFFFAOYSA-N -1 3 375.476 3.686 20 0 GHADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCC2)cc1 ZINC001573882071 950768019 /nfs/dbraw/zinc/76/80/19/950768019.db2.gz QOPGRHRYNDHMCG-UHFFFAOYSA-N -1 3 392.507 3.734 20 0 GHADHM CC(C)(C)c1ccc(C2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCC2)cc1 ZINC001573882071 950768031 /nfs/dbraw/zinc/76/80/31/950768031.db2.gz QOPGRHRYNDHMCG-UHFFFAOYSA-N -1 3 392.507 3.734 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)C=CCOc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217900 950772543 /nfs/dbraw/zinc/77/25/43/950772543.db2.gz OVGYPJZQSULHAN-OQHXTRMZSA-N -1 3 395.488 3.627 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)/C=C/COc3ccccc3)c2-c2nn[n-]n2)C1 ZINC001576217900 950772559 /nfs/dbraw/zinc/77/25/59/950772559.db2.gz OVGYPJZQSULHAN-OQHXTRMZSA-N -1 3 395.488 3.627 20 0 GHADHM CC(C)(C)c1ccccc1COC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573883985 950777580 /nfs/dbraw/zinc/77/75/80/950777580.db2.gz AFUNTBXETCETEV-UHFFFAOYSA-N -1 3 376.460 3.939 20 0 GHADHM CC(C)(C)c1ccccc1COC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573883985 950777596 /nfs/dbraw/zinc/77/75/96/950777596.db2.gz AFUNTBXETCETEV-UHFFFAOYSA-N -1 3 376.460 3.939 20 0 GHADHM CC1(C)C[C@]1(CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001575641366 950919342 /nfs/dbraw/zinc/91/93/42/950919342.db2.gz ONZSLAHDXRKPNM-FQEVSTJZSA-N -1 3 381.867 3.618 20 0 GHADHM CC1(C)C[C@]1(CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001575641366 950919352 /nfs/dbraw/zinc/91/93/52/950919352.db2.gz ONZSLAHDXRKPNM-FQEVSTJZSA-N -1 3 381.867 3.618 20 0 GHADHM CC(C)(CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)CC(F)F ZINC001573899572 950983782 /nfs/dbraw/zinc/98/37/82/950983782.db2.gz FVCDSYRLJLXCDM-UHFFFAOYSA-N -1 3 388.216 3.639 20 0 GHADHM CC(C)(CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)CC(F)F ZINC001573899572 950983795 /nfs/dbraw/zinc/98/37/95/950983795.db2.gz FVCDSYRLJLXCDM-UHFFFAOYSA-N -1 3 388.216 3.639 20 0 GHADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001575187592 952442910 /nfs/dbraw/zinc/44/29/10/952442910.db2.gz DIWVBCUWBFGDRV-CWTRNNRKSA-N -1 3 398.413 3.944 20 0 GHADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001575187592 952442916 /nfs/dbraw/zinc/44/29/16/952442916.db2.gz DIWVBCUWBFGDRV-CWTRNNRKSA-N -1 3 398.413 3.944 20 0 GHADHM CC(C)Cc1ccc([C@@H](CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001573539534 959186176 /nfs/dbraw/zinc/18/61/76/959186176.db2.gz QGWHVDMHAQVGJY-LEVJEWGPSA-N -1 3 384.476 3.609 20 0 GHADHM Cc1cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c(C)cc1I ZINC001574326214 960853890 /nfs/dbraw/zinc/85/38/90/960853890.db2.gz KQAJMJXIZVIIMR-BONVTDFDSA-N -1 3 387.261 3.593 20 0 GHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001526688282 962874955 /nfs/dbraw/zinc/87/49/55/962874955.db2.gz VHCIGOMFXYVLQE-CYFREDJKSA-N -1 3 394.515 3.724 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001549035080 962922063 /nfs/dbraw/zinc/92/20/63/962922063.db2.gz BXVJRCWAVQCPGG-VQTJNVASSA-N -1 3 380.488 3.723 20 0 GHADHM C[C@@H]1CCCN(Cc2cc(OC(F)F)ccc2Br)[C@H]1C(=O)[O-] ZINC001603414945 973103340 /nfs/dbraw/zinc/10/33/40/973103340.db2.gz PMNXNXRJVKPLJH-NOZJJQNGSA-N -1 3 378.213 3.736 20 0 GHADHM O=C([O-])c1ccc(CNCc2ccc(OCCn3ccnc3)c(Cl)c2)cc1 ZINC001606491197 973975909 /nfs/dbraw/zinc/97/59/09/973975909.db2.gz RVDSUBAPLMDADJ-UHFFFAOYSA-N -1 3 385.851 3.604 20 0 GHADHM COC[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1cccc(Cl)c1 ZINC001625800914 1014183108 /nfs/dbraw/zinc/18/31/08/1014183108.db2.gz LXWZJDYUXXCRGL-MRXNPFEDSA-N -1 3 392.789 3.577 20 0 GHADHM CCc1ccc([C@@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)N(C)C)cc1 ZINC001603968267 974449333 /nfs/dbraw/zinc/44/93/33/974449333.db2.gz CXUDHKWDONQLHD-HXUWFJFHSA-N -1 3 383.492 3.691 20 0 GHADHM O=C([O-])c1ccc(OCCN2CC[C@]3(C2)CCc2ccccc2O3)c(Cl)c1 ZINC000577074468 974828107 /nfs/dbraw/zinc/82/81/07/974828107.db2.gz CXPQJIMWPTXBBU-NRFANRHFSA-N -1 3 387.863 3.887 20 0 GHADHM CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(CC(=O)[O-])cc2)N(C)C)cc1 ZINC001591776731 975924662 /nfs/dbraw/zinc/92/46/62/975924662.db2.gz ITRCZRVSEVHLJY-HXUWFJFHSA-N -1 3 399.491 3.525 20 0 GHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001591994351 976631580 /nfs/dbraw/zinc/63/15/80/976631580.db2.gz KPFHATXTVJEFJD-HXOBKFHXSA-N -1 3 380.488 3.865 20 0 GHADHM C[C@](CC(=O)[O-])(NCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC001592329116 977752894 /nfs/dbraw/zinc/75/28/94/977752894.db2.gz DAFYCEDXRXOQTR-QGZVFWFLSA-N -1 3 379.254 3.837 20 0 GHADHM C[C@@H](CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC001592592864 978522266 /nfs/dbraw/zinc/52/22/66/978522266.db2.gz SBALQLQWBZJSQG-OXJNMPFZSA-N -1 3 386.536 3.833 20 0 GHADHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000832040549 979037412 /nfs/dbraw/zinc/03/74/12/979037412.db2.gz GLRPYFABJPMUQS-QGZVFWFLSA-N -1 3 383.366 3.980 20 0 GHADHM C[C@@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccc(Br)cc1 ZINC001592710983 979200341 /nfs/dbraw/zinc/20/03/41/979200341.db2.gz ZXDLVJJYUJNARN-NSHDSACASA-N -1 3 382.229 3.844 20 0 GHADHM C[C@@H](Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1)C(=O)[O-] ZINC001592865963 979710372 /nfs/dbraw/zinc/71/03/72/979710372.db2.gz IINDQTXTVSCUAE-LAUBAEHRSA-N -1 3 395.503 3.736 20 0 GHADHM CC[C@H](CSC)N(C)Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001595203016 979960050 /nfs/dbraw/zinc/96/00/50/979960050.db2.gz NGRHNLSMPBSQII-SNVBAGLBSA-N -1 3 386.315 3.528 20 0 GHADHM CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccco1 ZINC001594994012 982867708 /nfs/dbraw/zinc/86/77/08/982867708.db2.gz FNWJSJAOGDNTEI-ABAIWWIYSA-N -1 3 379.844 3.882 20 0 GHADHM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596150508 983510075 /nfs/dbraw/zinc/51/00/75/983510075.db2.gz JLESXIBBACSVKK-INIZCTEOSA-N -1 3 387.505 3.883 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccsc1 ZINC001596254620 983663959 /nfs/dbraw/zinc/66/39/59/983663959.db2.gz VREAWAQSCDEJCN-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccsc1 ZINC001596254619 983664199 /nfs/dbraw/zinc/66/41/99/983664199.db2.gz VREAWAQSCDEJCN-KRWDZBQOSA-N -1 3 375.494 3.959 20 0 GHADHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC001596593653 984535028 /nfs/dbraw/zinc/53/50/28/984535028.db2.gz AHFQJPODQVKCMD-FQEVSTJZSA-N -1 3 396.487 3.729 20 0 GHADHM CCO[C@H]1C[C@@](NCc2cc(Br)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839856 985521486 /nfs/dbraw/zinc/52/14/86/985521486.db2.gz VRICGHLUTHUMHD-XJKSGUPXSA-N -1 3 390.705 3.851 20 0 GHADHM CCOc1ccc(CN(C)Cc2ccnc3c(C(=O)[O-])cccc23)cc1OC ZINC001597101005 986711608 /nfs/dbraw/zinc/71/16/08/986711608.db2.gz SYNGIGNJEKHBDS-UHFFFAOYSA-N -1 3 380.444 3.972 20 0 GHADHM CCSCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)n1 ZINC000544972399 1015306818 /nfs/dbraw/zinc/30/68/18/1015306818.db2.gz BHXUBCFAKDQWAB-UHFFFAOYSA-N -1 3 393.465 3.930 20 0 GHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)C1 ZINC001589616374 987478868 /nfs/dbraw/zinc/47/88/68/987478868.db2.gz ZFZXJEFNEGXKMF-RTBURBONSA-N -1 3 384.520 3.911 20 0 GHADHM CCc1ccc([C@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC001597513623 988114439 /nfs/dbraw/zinc/11/44/39/988114439.db2.gz YYZCITKSFAVMFJ-KRWDZBQOSA-N -1 3 391.418 3.650 20 0 GHADHM CC(C)(C)OC(=O)C1(C)CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001589854917 988394382 /nfs/dbraw/zinc/39/43/82/988394382.db2.gz KIUVCKQPMODWDB-UHFFFAOYSA-N -1 3 384.476 3.877 20 0 GHADHM CCc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000545031818 1015387646 /nfs/dbraw/zinc/38/76/46/1015387646.db2.gz GEFCOBIDDXICEB-GFCCVEGCSA-N -1 3 391.880 3.992 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC001590004354 988941909 /nfs/dbraw/zinc/94/19/09/988941909.db2.gz PBTOISOREUXZBP-LAUBAEHRSA-N -1 3 392.471 3.674 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001590012067 988967108 /nfs/dbraw/zinc/96/71/08/988967108.db2.gz IUZKYPKAVZGHFH-HOTGVXAUSA-N -1 3 392.496 3.837 20 0 GHADHM CCc1oc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1C(=O)[O-] ZINC001597801631 989396196 /nfs/dbraw/zinc/39/61/96/989396196.db2.gz FCFWDXMRLZHOAF-GFCCVEGCSA-N -1 3 382.382 3.928 20 0 GHADHM CC(C)(C[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1)C(N)=O ZINC001590654600 990347998 /nfs/dbraw/zinc/34/79/98/990347998.db2.gz REKOWVZIVVOSHR-NHYWBVRUSA-N -1 3 387.307 3.733 20 0 GHADHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000468372863 1015640037 /nfs/dbraw/zinc/64/00/37/1015640037.db2.gz NKXYTYTWXAXZSU-UHFFFAOYSA-N -1 3 377.462 3.553 20 0 GHADHM CC(C)[C@@H]1N(Cc2ccc(C(=O)[O-])cc2Br)CC12CCOCC2 ZINC001591099750 991714723 /nfs/dbraw/zinc/71/47/23/991714723.db2.gz ODISMWYCMNVZAY-INIZCTEOSA-N -1 3 382.298 3.784 20 0 GHADHM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)C[C@@H](O)c1cccc(Br)c1 ZINC001598504411 992481847 /nfs/dbraw/zinc/48/18/47/992481847.db2.gz JZTNVFMHMFWIBG-MRXNPFEDSA-N -1 3 393.281 3.518 20 0 GHADHM CC(C)Cc1ccc([C@H](CN[C@H](C)c2ncc(C(=O)[O-])s2)N(C)C)cc1 ZINC001591483368 992601969 /nfs/dbraw/zinc/60/19/69/992601969.db2.gz BRELYNFWZKTQLQ-PBHICJAKSA-N -1 3 375.538 3.993 20 0 GHADHM C[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1OCC(=O)[O-] ZINC001593245692 994439101 /nfs/dbraw/zinc/43/91/01/994439101.db2.gz APBZEWMASWYTJD-BLLLJJGKSA-N -1 3 383.366 3.553 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000468635607 1015862432 /nfs/dbraw/zinc/86/24/32/1015862432.db2.gz RFCPRDNWTAVZNG-QFIPXVFZSA-N -1 3 385.435 3.893 20 0 GHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc3c(c(Cl)c2)OCO3)c1 ZINC001599655834 994577308 /nfs/dbraw/zinc/57/73/08/994577308.db2.gz ORVHKYANPVOTHX-LJQANCHMSA-N -1 3 377.824 3.557 20 0 GHADHM C[C@](NCc1cccc2c1NCCC2)(C(=O)[O-])c1cccc(Br)c1 ZINC001593302929 994730609 /nfs/dbraw/zinc/73/06/09/994730609.db2.gz BXIKVMMHPHVYRO-LJQANCHMSA-N -1 3 389.293 3.897 20 0 GHADHM COc1cccc(CN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C[C@@H]2CCCO2)c1 ZINC001599673834 994861480 /nfs/dbraw/zinc/86/14/80/994861480.db2.gz XFHMQMJDMSCPBX-JTSKRJEESA-N -1 3 399.487 3.728 20 0 GHADHM COc1cccc(N2CC[C@@H](N[C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C2)c1 ZINC001599679603 994957362 /nfs/dbraw/zinc/95/73/62/994957362.db2.gz XIRADSNECHXBLR-XIKOKIGWSA-N -1 3 395.286 3.996 20 0 GHADHM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])c3cccnc23)cc(OC)c1OC ZINC001599390319 997021755 /nfs/dbraw/zinc/02/17/55/997021755.db2.gz YBNZHOXMAZRHHG-CYBMUJFWSA-N -1 3 396.443 3.810 20 0 GHADHM COC(=O)c1[nH]c(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1C ZINC001598909674 997336057 /nfs/dbraw/zinc/33/60/57/997336057.db2.gz OUEFIUFHNIZNNK-KRWDZBQOSA-N -1 3 385.247 3.506 20 0 GHADHM COc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2C)N2CCCC2)cc1 ZINC001599517921 997424855 /nfs/dbraw/zinc/42/48/55/997424855.db2.gz YGZRWYPHOCRJCR-FQEVSTJZSA-N -1 3 397.475 3.660 20 0 GHADHM COc1ccc([C@@H](NC/C(C)=C/c2ccccc2OC(F)F)C(=O)[O-])cc1O ZINC001599529044 997615661 /nfs/dbraw/zinc/61/56/61/997615661.db2.gz GIFWFKPYLSMWFQ-ZPHJMFTNSA-N -1 3 393.386 3.821 20 0 GHADHM COC(=O)c1cc(CN(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc(C(=O)[O-])c1 ZINC001598927752 997681821 /nfs/dbraw/zinc/68/18/21/997681821.db2.gz DBOHZLWMIVQOAI-VQTJNVASSA-N -1 3 397.471 3.849 20 0 GHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCc3ccc(O)c(F)c3)cc2)n1 ZINC000468875489 1016152048 /nfs/dbraw/zinc/15/20/48/1016152048.db2.gz IOHNSZGACFUBCS-UHFFFAOYSA-N -1 3 381.407 3.551 20 0 GHADHM CO[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H]1C ZINC001599122905 997774321 /nfs/dbraw/zinc/77/43/21/997774321.db2.gz DYIZPWNJTVHAEZ-BZNIZROVSA-N -1 3 398.290 3.734 20 0 GHADHM COc1cc(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)ccc1C(=O)[O-] ZINC001599436886 997863298 /nfs/dbraw/zinc/86/32/98/997863298.db2.gz CQHSSNVQGNOHJC-LJQANCHMSA-N -1 3 397.475 3.660 20 0 GHADHM COc1cc(-c2nc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cs2)ccc1O ZINC001599346744 998020758 /nfs/dbraw/zinc/02/07/58/998020758.db2.gz MSWCLPJMGBEVKA-CQSZACIVSA-N -1 3 390.505 3.847 20 0 GHADHM COc1cc(OC)cc([C@@H](NCc2cccc(-c3cccnc3)c2)C(=O)[O-])c1 ZINC001599454594 998166202 /nfs/dbraw/zinc/16/62/02/998166202.db2.gz SXPPWUVSUVYHBF-OAQYLSRUSA-N -1 3 378.428 3.681 20 0 GHADHM C[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001594176612 998679713 /nfs/dbraw/zinc/67/97/13/998679713.db2.gz JCORWSBLCACSDX-ZACQAIPSSA-N -1 3 392.503 3.744 20 0 GHADHM C[C@H]1[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001594190663 998741623 /nfs/dbraw/zinc/74/16/23/998741623.db2.gz LCVNEQXQILCUOK-IFXJQAMLSA-N -1 3 392.459 3.651 20 0 GHADHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468937406 1016246673 /nfs/dbraw/zinc/24/66/73/1016246673.db2.gz LXWOMHQZEGHSAT-UHFFFAOYSA-N -1 3 384.411 3.722 20 0 GHADHM COC(=O)c1ccccc1-c1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)o1 ZINC001599003254 998836758 /nfs/dbraw/zinc/83/67/58/998836758.db2.gz OJSXIBCZFSMOEL-HXUWFJFHSA-N -1 3 391.423 3.917 20 0 GHADHM COC(=O)c1cnc([C@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3)C2)s1 ZINC001599009138 998882732 /nfs/dbraw/zinc/88/27/32/998882732.db2.gz JQOGLHHSDDTDJW-WFASDCNBSA-N -1 3 394.880 3.588 20 0 GHADHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4ncccc4c3)cc2)n[nH]1 ZINC000468966565 1016285714 /nfs/dbraw/zinc/28/57/14/1016285714.db2.gz LMWLUXRDHWVIAX-UHFFFAOYSA-N -1 3 380.429 3.859 20 0 GHADHM CCc1ccc(CS(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000469048749 1016372091 /nfs/dbraw/zinc/37/20/91/1016372091.db2.gz VCAYHAGQGIWGHN-AWEZNQCLSA-N -1 3 377.510 3.860 20 0 GHADHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1c2ccccn2nc1-c1ccccc1 ZINC001154691056 1032239477 /nfs/dbraw/zinc/23/94/77/1032239477.db2.gz AWOGUTVBWSAFGP-UHFFFAOYSA-N -1 3 397.394 3.608 20 0 GHADHM COc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1-c1ccccc1 ZINC001154796977 1032286944 /nfs/dbraw/zinc/28/69/44/1032286944.db2.gz AJUWCSLMAPLVOO-UHFFFAOYSA-N -1 3 375.428 3.665 20 0 GHADHM O=C(Nc1ccnc(Cl)c1OC(F)(F)F)c1nc2nc(Cl)ccc2[n-]1 ZINC001155171222 1032443358 /nfs/dbraw/zinc/44/33/58/1032443358.db2.gz QKEOBHMATZOUMI-UHFFFAOYSA-N -1 3 392.124 3.811 20 0 GHADHM O=C(Nc1ccnc(Cl)c1OC(F)(F)F)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155171222 1032443364 /nfs/dbraw/zinc/44/33/64/1032443364.db2.gz QKEOBHMATZOUMI-UHFFFAOYSA-N -1 3 392.124 3.811 20 0 GHADHM O=c1cc(O[C@@H]2COCc3cc(Br)cnc32)[n-]c(C(F)(F)F)c1 ZINC001227585737 1032474159 /nfs/dbraw/zinc/47/41/59/1032474159.db2.gz DKSHLDGPERJGHU-SNVBAGLBSA-N -1 3 391.143 3.614 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cc(=O)cc(C(F)(F)F)[n-]3)C[C@@H]2C1 ZINC001227587600 1032474763 /nfs/dbraw/zinc/47/47/63/1032474763.db2.gz VLXLHLAJLJJTLA-PTEHBNRSSA-N -1 3 388.386 3.830 20 0 GHADHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227588123 1032474969 /nfs/dbraw/zinc/47/49/69/1032474969.db2.gz PBVATVWQYAXXAT-QJPTWQEYSA-N -1 3 395.265 3.518 20 0 GHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC23CC3)cc1 ZINC000931626235 1018014707 /nfs/dbraw/zinc/01/47/07/1018014707.db2.gz UEHIEDZJRGFSQY-KRWDZBQOSA-N -1 3 385.489 3.778 20 0 GHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc2scc(Br)c2c1 ZINC000562547278 1018301417 /nfs/dbraw/zinc/30/14/17/1018301417.db2.gz PIJOPFVMTMDDEE-CYBMUJFWSA-N -1 3 392.278 3.913 20 0 GHADHM C[C@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1cccc(Br)n1 ZINC001228077603 1032767130 /nfs/dbraw/zinc/76/71/30/1032767130.db2.gz URRLGKHAXITXLQ-VIFPVBQESA-N -1 3 394.221 3.975 20 0 GHADHM C[C@@H](OCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000562871621 1018733171 /nfs/dbraw/zinc/73/31/71/1018733171.db2.gz QKSOTOGHZWRLFN-CYBMUJFWSA-N -1 3 388.411 3.547 20 0 GHADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000932927882 1018759161 /nfs/dbraw/zinc/75/91/61/1018759161.db2.gz VXIMZOCIVHRKJW-HNNXBMFYSA-N -1 3 397.425 3.547 20 0 GHADHM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(Cc4ccccc4)C(C)(C)C3)c12 ZINC000564213727 1019027852 /nfs/dbraw/zinc/02/78/52/1019027852.db2.gz JMPBYTGTNVJSGP-UHFFFAOYSA-N -1 3 396.516 3.799 20 0 GHADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001228155154 1032811976 /nfs/dbraw/zinc/81/19/76/1032811976.db2.gz QJZXNQJEKFAZHG-BGYRXZFFSA-N -1 3 381.472 3.645 20 0 GHADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@H]1CCCC[C@@H]1C1CC1 ZINC000566259900 1019221324 /nfs/dbraw/zinc/22/13/24/1019221324.db2.gz GFELOQNMQUDIEX-MNOVXSKESA-N -1 3 394.235 3.785 20 0 GHADHM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568528640 1019417356 /nfs/dbraw/zinc/41/73/56/1019417356.db2.gz GFQRMONBVRJUQN-UHFFFAOYSA-N -1 3 390.896 3.519 20 0 GHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC[C@@H](c4nncn4C(C)C)C3)c2c1 ZINC000576229894 1019990424 /nfs/dbraw/zinc/99/04/24/1019990424.db2.gz GQZDIQQUCJGDDF-OAHLLOKOSA-N -1 3 379.464 3.798 20 0 GHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000158751270 1020024855 /nfs/dbraw/zinc/02/48/55/1020024855.db2.gz SOZALCVCIYQCBV-AWEZNQCLSA-N -1 3 385.251 3.818 20 0 GHADHM O=C(Cc1ccccc1O[C@@H]1CCOC1)Nc1ccc(Br)cc1[O-] ZINC000576818850 1020072605 /nfs/dbraw/zinc/07/26/05/1020072605.db2.gz NJCFVIGWQSVCET-CQSZACIVSA-N -1 3 392.249 3.504 20 0 GHADHM O=S(=O)(Cc1ccccc1Br)[N-]c1nccn1-c1ccccc1 ZINC000577020878 1020106798 /nfs/dbraw/zinc/10/67/98/1020106798.db2.gz CYPWYQBQBDNRFF-UHFFFAOYSA-N -1 3 392.278 3.577 20 0 GHADHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H](C)C1(F)F ZINC000628393405 1020698877 /nfs/dbraw/zinc/69/88/77/1020698877.db2.gz HDFMFHLDAFZWAV-UWVGGRQHSA-N -1 3 399.235 3.654 20 0 GHADHM COc1ccccc1-c1nc(CS(=O)(=O)c2nc(C(C)C)c[n-]2)cs1 ZINC000630432554 1020821013 /nfs/dbraw/zinc/82/10/13/1020821013.db2.gz PJACUJAHGLXNFS-UHFFFAOYSA-N -1 3 377.491 3.639 20 0 GHADHM CC(C)c1cnn2cc(C(=O)Nc3cc(Br)ccc3[O-])cnc12 ZINC001156233028 1032934299 /nfs/dbraw/zinc/93/42/99/1032934299.db2.gz RDERFCLRWYOBNT-UHFFFAOYSA-N -1 3 375.226 3.573 20 0 GHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000834551288 1021265419 /nfs/dbraw/zinc/26/54/19/1021265419.db2.gz UNJWFGKKMUXFNW-UHFFFAOYSA-N -1 3 393.512 3.568 20 0 GHADHM O=C([O-])[C@H]1CCCCCN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000902036534 1021474079 /nfs/dbraw/zinc/47/40/79/1021474079.db2.gz USHZFMLJGSYLCN-GFCCVEGCSA-N -1 3 378.213 3.880 20 0 GHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCOC1 ZINC000902920649 1021552254 /nfs/dbraw/zinc/55/22/54/1021552254.db2.gz NTHYFSMFPIZYAH-BDAKNGLRSA-N -1 3 386.748 3.777 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000903895784 1021648530 /nfs/dbraw/zinc/64/85/30/1021648530.db2.gz LCGUKZKMVYBEBO-SJLPKXTDSA-N -1 3 389.492 3.570 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C(=O)c1ccccn1)c1ccccn1 ZINC001228622812 1033013172 /nfs/dbraw/zinc/01/31/72/1033013172.db2.gz LOZLYEIMDODEDX-NRFANRHFSA-N -1 3 388.379 3.600 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2OCC[C@@H]1COC(C(C)C)(C(C)C)O1 ZINC001228623665 1033013897 /nfs/dbraw/zinc/01/38/97/1033013897.db2.gz UASRDKHODYURCV-OAHLLOKOSA-N -1 3 376.449 4.000 20 0 GHADHM CN(Cc1cccc([O-])c1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140549681 1021950947 /nfs/dbraw/zinc/95/09/47/1021950947.db2.gz MAZXSDOGKFOCJQ-AWEZNQCLSA-N -1 3 399.329 3.986 20 0 GHADHM CCOC[C@H]1CN(Cc2cccc([O-])c2Br)Cc2nn(CC)cc21 ZINC001140549928 1021951409 /nfs/dbraw/zinc/95/14/09/1021951409.db2.gz MRXUXDKTLFBXMV-CQSZACIVSA-N -1 3 394.313 3.507 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cccc([O-])c2Br)C1 ZINC001140552302 1021955228 /nfs/dbraw/zinc/95/52/28/1021955228.db2.gz FUORHLOVRLJEKT-GXTWGEPZSA-N -1 3 399.329 3.890 20 0 GHADHM CCOC(=O)CN(Cc1ccsc1)Cc1cccc([O-])c1Br ZINC001140552605 1021955957 /nfs/dbraw/zinc/95/59/57/1021955957.db2.gz JONFARPMSJNEML-UHFFFAOYSA-N -1 3 384.295 3.782 20 0 GHADHM CCn1c(CCc2ccccc2)nnc1COC(=O)c1cc2ccsc2[n-]1 ZINC000835658092 1022291030 /nfs/dbraw/zinc/29/10/30/1022291030.db2.gz PKNBHXODNZBHEJ-UHFFFAOYSA-N -1 3 380.473 3.983 20 0 GHADHM CC[C@@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(F)(F)F ZINC000835659233 1022291789 /nfs/dbraw/zinc/29/17/89/1022291789.db2.gz UVZAZRCPNYVEET-SNVBAGLBSA-N -1 3 393.305 3.575 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1OCc1cc(C)ccc1OC(C)C ZINC001228714679 1033058886 /nfs/dbraw/zinc/05/88/86/1033058886.db2.gz UGPHZUXORBGANK-UHFFFAOYSA-N -1 3 376.478 3.546 20 0 GHADHM CSc1ccncc1[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000754268874 1022571515 /nfs/dbraw/zinc/57/15/15/1022571515.db2.gz IZANZIINXREMHP-VQHVLOKHSA-N -1 3 385.308 3.979 20 0 GHADHM COc1cc(C(=O)OCC(=O)c2sc3ccccc3c2C)cc(OC)c1[O-] ZINC000754272142 1022575700 /nfs/dbraw/zinc/57/57/00/1022575700.db2.gz QMFXDEYRRKBZHM-UHFFFAOYSA-N -1 3 386.425 3.972 20 0 GHADHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000755070399 1023060356 /nfs/dbraw/zinc/06/03/56/1023060356.db2.gz GOOXELKBNBCOFY-SECBINFHSA-N -1 3 378.675 3.605 20 0 GHADHM O=C([N-][C@@H]1CCc2c1ccc(F)c2Br)C(F)(F)C1(O)CCCC1 ZINC001141009974 1023197731 /nfs/dbraw/zinc/19/77/31/1023197731.db2.gz YVSVENCUMXNGPM-GFCCVEGCSA-N -1 3 392.215 3.632 20 0 GHADHM O=C1CCc2cc([O-])c(O[C@H]3CCCN(Cc4cnc(Cl)s4)C3)cc21 ZINC001228854866 1033137437 /nfs/dbraw/zinc/13/74/37/1033137437.db2.gz YOJQBDLUMWUSDH-LBPRGKRZSA-N -1 3 378.881 3.674 20 0 GHADHM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000836952171 1023506136 /nfs/dbraw/zinc/50/61/36/1023506136.db2.gz QXRMWWJDKDCYDG-GOSISDBHSA-N -1 3 388.508 3.890 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)[C@@H](F)C1 ZINC001228858441 1033141186 /nfs/dbraw/zinc/14/11/86/1033141186.db2.gz QVWVUSUUADRYKG-WMLDXEAASA-N -1 3 379.428 3.638 20 0 GHADHM COC(=O)c1nc2nc(-c3ccc(OCc4ccccc4)cc3OC)ccc2[n-]1 ZINC001204896389 1033151276 /nfs/dbraw/zinc/15/12/76/1033151276.db2.gz YLYDSDCAQFVUSV-UHFFFAOYSA-N -1 3 389.411 3.951 20 0 GHADHM COC(=O)c1nc2ccc(-c3ccc(OCc4ccccc4)cc3OC)[n-]c-2n1 ZINC001204896389 1033151281 /nfs/dbraw/zinc/15/12/81/1033151281.db2.gz YLYDSDCAQFVUSV-UHFFFAOYSA-N -1 3 389.411 3.951 20 0 GHADHM CSCCO[N-]C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001156650343 1033154541 /nfs/dbraw/zinc/15/45/41/1033154541.db2.gz SVZFXTWHDPRDPK-AWEZNQCLSA-N -1 3 380.510 3.716 20 0 GHADHM O=C(COC(=O)CCCc1csc2ccccc12)[N-]C(=O)c1cccs1 ZINC000756652711 1023755647 /nfs/dbraw/zinc/75/56/47/1023755647.db2.gz KYBJRKVQQUXAHI-UHFFFAOYSA-N -1 3 387.482 3.785 20 0 GHADHM O=C([N-][C@H](CN1CCCC1=O)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC000756949764 1023881471 /nfs/dbraw/zinc/88/14/71/1023881471.db2.gz LMPGMMOAJYREQK-MRXNPFEDSA-N -1 3 394.368 3.537 20 0 GHADHM Cc1cc(C)c(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1O ZINC001138069112 1023983254 /nfs/dbraw/zinc/98/32/54/1023983254.db2.gz FLBXUJXQIVROBV-UHFFFAOYSA-N -1 3 387.233 3.865 20 0 GHADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000837238333 1024271159 /nfs/dbraw/zinc/27/11/59/1024271159.db2.gz WTRORKOWKHPJRX-HOCLYGCPSA-N -1 3 376.497 3.578 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001141250220 1024283906 /nfs/dbraw/zinc/28/39/06/1024283906.db2.gz WNVTWAADBAKPLE-LLVKDONJSA-N -1 3 398.850 3.880 20 0 GHADHM COC[C@H](C)N(Cc1cn(CC(=O)[O-])c2ccccc12)Cc1cccc(OC)c1 ZINC001138196151 1024343368 /nfs/dbraw/zinc/34/33/68/1024343368.db2.gz UUFXUFBUVHGNBU-KRWDZBQOSA-N -1 3 396.487 3.772 20 0 GHADHM CCOC(=O)NC1CCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001141361311 1024713472 /nfs/dbraw/zinc/71/34/72/1024713472.db2.gz YCDXFCVZJYPRQI-UHFFFAOYSA-N -1 3 382.460 3.762 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000831902079 1024989333 /nfs/dbraw/zinc/98/93/33/1024989333.db2.gz XVJKQTVHDYJFEE-UKRRQHHQSA-N -1 3 375.419 3.567 20 0 GHADHM CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000832189817 1025301471 /nfs/dbraw/zinc/30/14/71/1025301471.db2.gz JPDUHCFKHRCAKK-KRWDZBQOSA-N -1 3 381.501 3.853 20 0 GHADHM CC(C)(C)OC(=O)NC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000838797135 1025373407 /nfs/dbraw/zinc/37/34/07/1025373407.db2.gz YVVZOSCBOKXSCY-UHFFFAOYSA-N -1 3 385.302 3.644 20 0 GHADHM CCOC(=O)C[C@@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229099606 1033279944 /nfs/dbraw/zinc/27/99/44/1033279944.db2.gz MGURMRAUAIDJMB-CQSZACIVSA-N -1 3 381.222 3.934 20 0 GHADHM C[C@H](NCc1cccc([O-])c1Br)c1ccc(N2CCOC2=O)cc1 ZINC000838916227 1025441648 /nfs/dbraw/zinc/44/16/48/1025441648.db2.gz FNPBSCOETQJTAJ-LBPRGKRZSA-N -1 3 391.265 3.962 20 0 GHADHM CC(C)(C)OC(=O)NC1(C)CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000838959261 1025476671 /nfs/dbraw/zinc/47/66/71/1025476671.db2.gz ZUKPCPQUQLGILB-UHFFFAOYSA-N -1 3 398.507 3.728 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cc1 ZINC001138924943 1025591128 /nfs/dbraw/zinc/59/11/28/1025591128.db2.gz KHTBKOAFIDAYSW-NZQKXSOJSA-N -1 3 381.472 3.689 20 0 GHADHM Cc1ccc(N[C@@H](CC(C)C)C(=O)OCc2ccccc2)cc1-c1nnn[n-]1 ZINC001162082759 1025593087 /nfs/dbraw/zinc/59/30/87/1025593087.db2.gz LDDINFPMYCTEDP-IBGZPJMESA-N -1 3 379.464 3.745 20 0 GHADHM Cc1ccc(N[C@@H](CC(C)C)C(=O)OCc2ccccc2)cc1-c1nn[n-]n1 ZINC001162082759 1025593097 /nfs/dbraw/zinc/59/30/97/1025593097.db2.gz LDDINFPMYCTEDP-IBGZPJMESA-N -1 3 379.464 3.745 20 0 GHADHM CCOCc1ccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001141582988 1025713476 /nfs/dbraw/zinc/71/34/76/1025713476.db2.gz NQTYDLWJXSNGTJ-UHFFFAOYSA-N -1 3 391.493 3.957 20 0 GHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000839337311 1025817879 /nfs/dbraw/zinc/81/78/79/1025817879.db2.gz PBHMOXNBXATSKU-UHFFFAOYSA-N -1 3 392.337 3.650 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(Br)cnc1F ZINC001141622261 1025930033 /nfs/dbraw/zinc/93/00/33/1025930033.db2.gz IMZUDHUURHNGAY-UHFFFAOYSA-N -1 3 390.006 3.704 20 0 GHADHM COc1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1[O-] ZINC001141653682 1026087711 /nfs/dbraw/zinc/08/77/11/1026087711.db2.gz JTBDCXXMOHFIBE-UHFFFAOYSA-N -1 3 392.459 3.946 20 0 GHADHM C[C@@H]1CCC[C@H](C)N1c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001163549929 1026231891 /nfs/dbraw/zinc/23/18/91/1026231891.db2.gz IGVOQFBEAREOJA-BETUJISGSA-N -1 3 381.448 3.928 20 0 GHADHM CC(=O)Nc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)ccc1C ZINC001141716175 1026324691 /nfs/dbraw/zinc/32/46/91/1026324691.db2.gz YXWCXGRCCFLHFX-UHFFFAOYSA-N -1 3 391.427 3.891 20 0 GHADHM COCc1cccc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001141726776 1026353219 /nfs/dbraw/zinc/35/32/19/1026353219.db2.gz VWUXPUGDJHPYPD-UHFFFAOYSA-N -1 3 377.466 3.567 20 0 GHADHM O=C([N-]CC[C@@H]1CN(c2ncnc3ccccc32)c2ccccc21)C(F)(F)F ZINC001163946601 1026368592 /nfs/dbraw/zinc/36/85/92/1026368592.db2.gz JODUSROPLHADIP-CYBMUJFWSA-N -1 3 386.377 3.934 20 0 GHADHM COC(CN(Cc1ccccc1)C(F)(F)c1cc(Cl)nc(=S)[n-]1)OC ZINC001164100910 1026415295 /nfs/dbraw/zinc/41/52/95/1026415295.db2.gz NHKBXEYTXWYELF-UHFFFAOYSA-N -1 3 389.855 3.589 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853365 1026668701 /nfs/dbraw/zinc/66/87/01/1026668701.db2.gz BGPKDTVRMTXJQK-UXHICEINSA-N -1 3 391.475 3.526 20 0 GHADHM CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853365 1026668705 /nfs/dbraw/zinc/66/87/05/1026668705.db2.gz BGPKDTVRMTXJQK-UXHICEINSA-N -1 3 391.475 3.526 20 0 GHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CSCc2ccc(Br)cc21 ZINC001165639156 1026782724 /nfs/dbraw/zinc/78/27/24/1026782724.db2.gz PLBZJUYBFFXKDK-HNNXBMFYSA-N -1 3 396.281 3.941 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)c(F)cc1F ZINC001210381315 1027479583 /nfs/dbraw/zinc/47/95/83/1027479583.db2.gz FNGODYCIAHKIHR-LBPRGKRZSA-N -1 3 394.226 3.992 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)nn1 ZINC001210957369 1027720465 /nfs/dbraw/zinc/72/04/65/1027720465.db2.gz MGHAFUKYQDPAHJ-GOSISDBHSA-N -1 3 391.855 3.645 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnc4cccc(N)c43)c2)cc1 ZINC001211016260 1027754082 /nfs/dbraw/zinc/75/40/82/1027754082.db2.gz MJKMRBGVEMOLLM-UHFFFAOYSA-N -1 3 378.457 3.717 20 0 GHADHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1ccccc1 ZINC001213228923 1028057233 /nfs/dbraw/zinc/05/72/33/1028057233.db2.gz QIJNOMPNTPOBOP-HUUCEWRRSA-N -1 3 375.462 3.722 20 0 GHADHM COc1cccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)c1Br ZINC001213259348 1028075939 /nfs/dbraw/zinc/07/59/39/1028075939.db2.gz WTSFYTPSSUHDOZ-UHFFFAOYSA-N -1 3 389.209 3.548 20 0 GHADHM O=S(=O)([N-][C@@H]1CCCc2ccc(Cl)cc21)c1ccc(Cl)c2nonc21 ZINC001213281678 1028086220 /nfs/dbraw/zinc/08/62/20/1028086220.db2.gz ZEQYGSRAQQNVAN-CYBMUJFWSA-N -1 3 398.271 3.886 20 0 GHADHM [O-]c1cc(Cl)c(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c(Cl)c1 ZINC001142109626 1028132829 /nfs/dbraw/zinc/13/28/29/1028132829.db2.gz WYFFCDCNKVIYTC-YQVWRLOYSA-N -1 3 395.286 3.905 20 0 GHADHM O=C(c1ccsc1)N1C[C@H]2CN(Cc3c(Cl)cc([O-])cc3Cl)C[C@@H]2C1 ZINC001142111278 1028140165 /nfs/dbraw/zinc/14/01/65/1028140165.db2.gz GPYJCQZRMMMAAP-CHWSQXEVSA-N -1 3 397.327 3.965 20 0 GHADHM O=S(=O)([N-][C@@H](CF)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1F ZINC001213473471 1028209290 /nfs/dbraw/zinc/20/92/90/1028209290.db2.gz DAWGXMFCTZJYSX-ZDUSSCGKSA-N -1 3 383.313 3.973 20 0 GHADHM O=S(=O)([N-]CC1C[C@H]2CC[C@@H](C1)S2)c1cccc(Br)c1F ZINC001213693330 1028333914 /nfs/dbraw/zinc/33/39/14/1028333914.db2.gz WYYYIGMPUKETER-FGWVZKOKSA-N -1 3 394.331 3.541 20 0 GHADHM O=C(CC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1)NC1CCCC1 ZINC001142202775 1028352529 /nfs/dbraw/zinc/35/25/29/1028352529.db2.gz WEIPRJNCUAPWIW-UHFFFAOYSA-N -1 3 386.517 3.908 20 0 GHADHM O=S(=O)([N-][C@@H]1CCc2cccc3cccc1c32)c1cnc(Cl)c(F)c1 ZINC001213797890 1028381782 /nfs/dbraw/zinc/38/17/82/1028381782.db2.gz RQQQQASHLCKITO-MRXNPFEDSA-N -1 3 376.840 3.993 20 0 GHADHM CC[C@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001213894004 1028435985 /nfs/dbraw/zinc/43/59/85/1028435985.db2.gz CXIAQKKTSBTWFG-LBPRGKRZSA-N -1 3 394.242 3.755 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCCc2cccnc21 ZINC001213922046 1028452071 /nfs/dbraw/zinc/45/20/71/1028452071.db2.gz WKSXHRARRKWXMS-LLVKDONJSA-N -1 3 387.324 3.570 20 0 GHADHM CCOC(=O)c1ccc(-c2nc(-c3cc(Br)cc(OC)c3)no2)[n-]1 ZINC001213975160 1028483378 /nfs/dbraw/zinc/48/33/78/1028483378.db2.gz VGDOLZGQFJVULJ-UHFFFAOYSA-N -1 3 392.209 3.680 20 0 GHADHM CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000841381204 1028536522 /nfs/dbraw/zinc/53/65/22/1028536522.db2.gz KAMKXULTCOWLSU-UHFFFAOYSA-N -1 3 399.285 3.788 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(CO)c(C(F)(F)F)c1)c1ccccc1N ZINC001214689695 1028861748 /nfs/dbraw/zinc/86/17/48/1028861748.db2.gz ZDSVZQVFASHOKA-UHFFFAOYSA-N -1 3 399.394 3.559 20 0 GHADHM COC(=O)N=C([S-])N(c1ccc(CO)c(C(F)(F)F)c1)c1ccccc1N ZINC001214689695 1028861758 /nfs/dbraw/zinc/86/17/58/1028861758.db2.gz ZDSVZQVFASHOKA-UHFFFAOYSA-N -1 3 399.394 3.559 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000841804406 1028950420 /nfs/dbraw/zinc/95/04/20/1028950420.db2.gz DJEZXHGTXZKGFE-HNNXBMFYSA-N -1 3 394.855 3.668 20 0 GHADHM Cc1nc(F)ccc1CN[C@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000841816068 1028964750 /nfs/dbraw/zinc/96/47/50/1028964750.db2.gz OMPZDJPGJHMRJW-QFYYESIMSA-N -1 3 381.245 3.843 20 0 GHADHM COCOc1ccc(Br)cc1-c1noc(-c2ccccc2[O-])n1 ZINC001215142229 1029055016 /nfs/dbraw/zinc/05/50/16/1029055016.db2.gz RYDXQVGUQYOYLU-UHFFFAOYSA-N -1 3 377.194 3.854 20 0 GHADHM CCOc1ccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c([O-])c1 ZINC001215241393 1029109811 /nfs/dbraw/zinc/10/98/11/1029109811.db2.gz UUJZECHXLIZJDM-UKTHLTGXSA-N -1 3 378.432 3.969 20 0 GHADHM Cc1ccc(-c2nc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)no2)c([O-])c1 ZINC001215296930 1029136915 /nfs/dbraw/zinc/13/69/15/1029136915.db2.gz GKBSPYXKAQYWJD-UHFFFAOYSA-N -1 3 384.335 3.711 20 0 GHADHM COc1nc(-c2noc(-c3cc([O-])ccc3Cl)n2)ccc1-n1cnc(C)c1 ZINC001215347574 1029164272 /nfs/dbraw/zinc/16/42/72/1029164272.db2.gz DWMJUCOCIJSFJM-UHFFFAOYSA-N -1 3 383.795 3.660 20 0 GHADHM COC([O-])=NC(=S)N(c1ccc(F)c(OC(C)C)c1)c1ccccc1N ZINC001215505094 1029244125 /nfs/dbraw/zinc/24/41/25/1029244125.db2.gz PKNJPQUAZIBFOM-UHFFFAOYSA-N -1 3 377.441 3.974 20 0 GHADHM CCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(C)C)cc3[O-])cc2)CC1 ZINC001142729081 1029354133 /nfs/dbraw/zinc/35/41/33/1029354133.db2.gz SVXCVNXCAZTGIB-UHFFFAOYSA-N -1 3 395.503 3.546 20 0 GHADHM NC(=O)c1ccc(Nc2c(F)c(Cl)cc(Br)c2F)cc1[O-] ZINC001216024697 1029498509 /nfs/dbraw/zinc/49/85/09/1029498509.db2.gz CWNJOZQOFCLRSQ-UHFFFAOYSA-N -1 3 377.572 3.929 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001216107956 1029527016 /nfs/dbraw/zinc/52/70/16/1029527016.db2.gz LGDPTYHPJBLTQR-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM CCc1cc(Br)ccc1-c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001216107956 1029527021 /nfs/dbraw/zinc/52/70/21/1029527021.db2.gz LGDPTYHPJBLTQR-UHFFFAOYSA-N -1 3 397.236 3.909 20 0 GHADHM Clc1ccnc2c(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)cccc12 ZINC001216121688 1029531336 /nfs/dbraw/zinc/53/13/36/1029531336.db2.gz RGPFIZPJYBWENP-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM Clc1ccnc2c(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)cccc12 ZINC001216121688 1029531341 /nfs/dbraw/zinc/53/13/41/1029531341.db2.gz RGPFIZPJYBWENP-UHFFFAOYSA-N -1 3 375.779 3.785 20 0 GHADHM COc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1OC(C)C ZINC001216441463 1029639028 /nfs/dbraw/zinc/63/90/28/1029639028.db2.gz DAZFRSDNKXFDHU-SECBINFHSA-N -1 3 387.362 3.502 20 0 GHADHM C[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000843030536 1029770094 /nfs/dbraw/zinc/77/00/94/1029770094.db2.gz ZSNWHSRPQWANAL-WBMJQRKESA-N -1 3 397.435 3.602 20 0 GHADHM COCOc1ccccc1-c1noc(-c2cc([O-])ccc2Br)n1 ZINC001216847092 1029961839 /nfs/dbraw/zinc/96/18/39/1029961839.db2.gz OXVVBMUJQWATSO-UHFFFAOYSA-N -1 3 377.194 3.854 20 0 GHADHM [O-]c1c(OCCO)cccc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001216959879 1030033437 /nfs/dbraw/zinc/03/34/37/1030033437.db2.gz YVHWQVBZVXZLIT-UHFFFAOYSA-N -1 3 384.285 3.638 20 0 GHADHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3ccc4sc(C)nc4c3)no2)c1C ZINC001216961567 1030034900 /nfs/dbraw/zinc/03/49/00/1030034900.db2.gz HXZNIBRZDRZVAP-UHFFFAOYSA-N -1 3 392.440 3.906 20 0 GHADHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001149679833 1030270355 /nfs/dbraw/zinc/27/03/55/1030270355.db2.gz LTQAZCLZJSNXSH-UHFFFAOYSA-N -1 3 384.436 3.526 20 0 GHADHM CON(C)C(=O)c1cccc(-c2noc(-c3c([O-])ccc4ccccc43)n2)c1 ZINC001217412142 1030376610 /nfs/dbraw/zinc/37/66/10/1030376610.db2.gz MJBNLXRKIBNLHE-UHFFFAOYSA-N -1 3 375.384 3.896 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001150178446 1030438760 /nfs/dbraw/zinc/43/87/60/1030438760.db2.gz KWQHGKMKMSLJHK-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001150178446 1030438771 /nfs/dbraw/zinc/43/87/71/1030438771.db2.gz KWQHGKMKMSLJHK-SECBINFHSA-N -1 3 378.219 3.580 20 0 GHADHM COc1ccncc1-c1noc(-c2c([O-])cnc3ccc(Br)cc32)n1 ZINC001217501672 1030443679 /nfs/dbraw/zinc/44/36/79/1030443679.db2.gz ZFUSLTJTLFGSDN-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM CC(=O)N1CCCc2cc(-c3noc(-c4nc5nc(Cl)ccc5[n-]4)n3)ccc21 ZINC001217552500 1030485920 /nfs/dbraw/zinc/48/59/20/1030485920.db2.gz JJBWSTZXFUGZPD-UHFFFAOYSA-N -1 3 394.822 3.627 20 0 GHADHM CC(=O)N1CCCc2cc(-c3noc(-c4nc5ccc(Cl)[n-]c-5n4)n3)ccc21 ZINC001217552500 1030485930 /nfs/dbraw/zinc/48/59/30/1030485930.db2.gz JJBWSTZXFUGZPD-UHFFFAOYSA-N -1 3 394.822 3.627 20 0 GHADHM CC(=O)N1CCCc2cc(-c3noc(-c4nc5ccc(Cl)nc5[n-]4)n3)ccc21 ZINC001217552500 1030485939 /nfs/dbraw/zinc/48/59/39/1030485939.db2.gz JJBWSTZXFUGZPD-UHFFFAOYSA-N -1 3 394.822 3.627 20 0 GHADHM O=C(N[C@H]1CCCc2cnccc21)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150477427 1030540955 /nfs/dbraw/zinc/54/09/55/1030540955.db2.gz CYDMELPFKAJAQI-KRWDZBQOSA-N -1 3 387.361 3.749 20 0 GHADHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001217636853 1030560374 /nfs/dbraw/zinc/56/03/74/1030560374.db2.gz JRNUUJWLKVWUON-UHFFFAOYSA-N -1 3 392.268 3.623 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1csc(Br)n1 ZINC001151364814 1030879479 /nfs/dbraw/zinc/87/94/79/1030879479.db2.gz OOTFPHKTQMCIFJ-UHFFFAOYSA-N -1 3 394.250 3.816 20 0 GHADHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cccc2[nH]c(=O)ccc12 ZINC001151373537 1030884569 /nfs/dbraw/zinc/88/45/69/1030884569.db2.gz XITLPJJBMFKQID-UHFFFAOYSA-N -1 3 375.384 3.851 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)n1 ZINC001151494216 1030925803 /nfs/dbraw/zinc/92/58/03/1030925803.db2.gz FJMYLUHVIUNFHI-UHFFFAOYSA-N -1 3 389.477 3.703 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ncn2)c1[O-] ZINC001218579429 1030994021 /nfs/dbraw/zinc/99/40/21/1030994021.db2.gz YWLQXBFAWGZWHI-UHFFFAOYSA-N -1 3 395.419 3.638 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC(F)(F)C1 ZINC000720931663 1031015673 /nfs/dbraw/zinc/01/56/73/1031015673.db2.gz RLEAZCUHFQAIED-UHFFFAOYSA-N -1 3 388.661 3.816 20 0 GHADHM CC(C)CCc1nnc(NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC001219454546 1031426091 /nfs/dbraw/zinc/42/60/91/1031426091.db2.gz HKRZDULDKAPBKE-UHFFFAOYSA-N -1 3 399.314 3.917 20 0 GHADHM CCC[C@H](CC(=O)OCC)Oc1cc(C)cc([O-])c1I ZINC001225510880 1031445751 /nfs/dbraw/zinc/44/57/51/1031445751.db2.gz NWVLMFQEADHLSN-LLVKDONJSA-N -1 3 392.233 3.806 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=O)ncc2C(F)(F)F)C(C)(C)C1 ZINC001225578546 1031488932 /nfs/dbraw/zinc/48/89/32/1031488932.db2.gz FJRPXLCJNSNFKJ-NSHDSACASA-N -1 3 391.390 3.615 20 0 GHADHM O=c1ncc(C(F)(F)F)c(O[C@H]2CCOc3ccc(Br)cc32)[n-]1 ZINC001225578283 1031489467 /nfs/dbraw/zinc/48/94/67/1031489467.db2.gz CVTXYYXOHSRVBW-NSHDSACASA-N -1 3 391.143 3.866 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC001153427305 1031585034 /nfs/dbraw/zinc/58/50/34/1031585034.db2.gz BEVJLMDZGBAFTC-OAHLLOKOSA-N -1 3 389.320 3.656 20 0 GHADHM CC(=O)c1ccc([O-])c(OC[C@@H]2COc3cc(Br)ccc3O2)c1 ZINC001225996420 1031733736 /nfs/dbraw/zinc/73/37/36/1031733736.db2.gz XDUWUBQPCKNFCZ-CYBMUJFWSA-N -1 3 379.206 3.576 20 0 GHADHM CC(C)(NC(=O)c1cnc2cccnc2c1[O-])c1ccc(C(F)(F)F)cc1 ZINC001153860613 1031777649 /nfs/dbraw/zinc/77/76/49/1031777649.db2.gz PDRSZLQFPVCHCX-UHFFFAOYSA-N -1 3 375.350 3.607 20 0 GHADHM COc1ccccc1[C@H]1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)C1 ZINC001153900023 1031799121 /nfs/dbraw/zinc/79/91/21/1031799121.db2.gz QTOMMWJUKCERMG-ZDUSSCGKSA-N -1 3 382.847 3.820 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120860 1031799021 /nfs/dbraw/zinc/79/90/21/1031799021.db2.gz VCYNFRNLPJPIRM-NNQSOWQGSA-N -1 3 377.510 3.667 20 0 GHADHM Cc1ccc([C@@]2(C)CN(C(=O)c3cc(=O)c4cc(Cl)ccc4[n-]3)CCO2)cc1 ZINC001153903943 1031803107 /nfs/dbraw/zinc/80/31/07/1031803107.db2.gz HODYEBDKVWHKEE-JOCHJYFZSA-N -1 3 396.874 3.878 20 0 GHADHM CC[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1cc(OC)c(OC)c(OC)c1 ZINC001226301353 1031908172 /nfs/dbraw/zinc/90/81/72/1031908172.db2.gz YFDASRGQVVUBGL-CQSZACIVSA-N -1 3 376.478 3.810 20 0 GHADHM CC(C)c1cccc2cc(C(=O)N3CCC[C@H]3C(=O)[N-]C(=O)OC(C)(C)C)[nH]c21 ZINC001154098166 1031925991 /nfs/dbraw/zinc/92/59/91/1031925991.db2.gz SPMZUERUKKRRJU-KRWDZBQOSA-N -1 3 399.491 3.947 20 0 GHADHM CCOC(=O)[C@H](Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C1CC1 ZINC001226489774 1031979967 /nfs/dbraw/zinc/97/99/67/1031979967.db2.gz KVAWXOLHZAULET-LJQANCHMSA-N -1 3 380.396 3.886 20 0 GHADHM O=C(N[C@@]1(c2ccccc2Cl)CCCCC1=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154213754 1031988497 /nfs/dbraw/zinc/98/84/97/1031988497.db2.gz XUWCTVQXMIVIGH-HXUWFJFHSA-N -1 3 383.835 3.690 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(OCC[C@@H]3COC(C(C)C)(C(C)C)O3)cc12 ZINC001226532474 1031998958 /nfs/dbraw/zinc/99/89/58/1031998958.db2.gz RCOXOTNATMXJIK-OAHLLOKOSA-N -1 3 376.449 4.000 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001226534566 1031999838 /nfs/dbraw/zinc/99/98/38/1031999838.db2.gz NAMHHNSQNMDTOP-AWEZNQCLSA-N -1 3 389.448 3.975 20 0 GHADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001226534569 1032000280 /nfs/dbraw/zinc/00/02/80/1032000280.db2.gz NAMHHNSQNMDTOP-CQSZACIVSA-N -1 3 389.448 3.975 20 0 GHADHM CC(=O)N1CCc2cc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3[O-])ccc21 ZINC001154276213 1032016943 /nfs/dbraw/zinc/01/69/43/1032016943.db2.gz FSVSTEMXVJEQTD-UHFFFAOYSA-N -1 3 396.443 3.509 20 0 GHADHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226598935 1032035090 /nfs/dbraw/zinc/03/50/90/1032035090.db2.gz IPMPSVHZAWUKLZ-HNNXBMFYSA-N -1 3 387.432 3.667 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cccc([O-])c3Br)[C@H]2C1 ZINC001229142560 1033304004 /nfs/dbraw/zinc/30/40/04/1033304004.db2.gz PZYSBSPLKMJUGB-MJVIPROJSA-N -1 3 384.270 3.789 20 0 GHADHM Cc1ncc(CO)c(CNC(F)(F)c2cc(Cl)c(Cl)nc2Cl)c1[O-] ZINC001157030252 1033377258 /nfs/dbraw/zinc/37/72/58/1033377258.db2.gz AJFJWCDZHRUCOZ-UHFFFAOYSA-N -1 3 398.624 3.782 20 0 GHADHM CC(=O)N1CCC[C@H](Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229267157 1033380444 /nfs/dbraw/zinc/38/04/44/1033380444.db2.gz JJQZROLTVJKKAN-INIZCTEOSA-N -1 3 379.412 3.555 20 0 GHADHM C[C@@H](NC(=O)Cc1nc(C2CCCCC2)cs1)c1nc(C(F)(F)F)n[n-]1 ZINC001157242204 1033488824 /nfs/dbraw/zinc/48/88/24/1033488824.db2.gz JEOYOWBTLMZVMI-SECBINFHSA-N -1 3 387.431 3.748 20 0 GHADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001229570873 1033564159 /nfs/dbraw/zinc/56/41/59/1033564159.db2.gz VSEWKUZETZIXKQ-BBRMVZONSA-N -1 3 387.530 3.648 20 0 GHADHM C=Cc1cc([O-])cc2nc(-c3ccc(O[C@@H]4CCS(=O)(=O)C4)c(F)c3)oc21 ZINC001229711904 1033657058 /nfs/dbraw/zinc/65/70/58/1033657058.db2.gz XWZIOVRNOGUDNW-CQSZACIVSA-N -1 3 389.404 3.548 20 0 GHADHM C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(=O)c3c([O-])cc([O-])cc3oc1-c1ccccc1)C2 ZINC001229771244 1033700816 /nfs/dbraw/zinc/70/08/16/1033700816.db2.gz AVNJNYAVLXJFPY-QLPKVWCKSA-N -1 3 393.439 3.875 20 0 GHADHM C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(=O)c3c([O-])cc([O-])cc3oc1-c1ccccc1)C2 ZINC001229771244 1033700830 /nfs/dbraw/zinc/70/08/30/1033700830.db2.gz AVNJNYAVLXJFPY-QLPKVWCKSA-N -1 3 393.439 3.875 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2ccc3occc3c2)no1 ZINC001206060326 1033704539 /nfs/dbraw/zinc/70/45/39/1033704539.db2.gz OYDMOHBXICXXHM-ZDUSSCGKSA-N -1 3 383.429 3.663 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(Br)cnc3C)c[n-]c12 ZINC001158981905 1034368080 /nfs/dbraw/zinc/36/80/80/1034368080.db2.gz AXTNNMGPJRGTDC-UHFFFAOYSA-N -1 3 390.212 3.694 20 0 GHADHM Cc1ccc(O[C@@H](C)C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(Br)c1 ZINC001159063138 1034407402 /nfs/dbraw/zinc/40/74/02/1034407402.db2.gz FUCMMHPRIWBFQA-JTQLQIEISA-N -1 3 390.237 3.745 20 0 GHADHM CCN1CCC[C@H]1CNC(=O)c1c([O-])c(Cl)cc(Cl)c1OC1CCC1 ZINC001231240437 1034478955 /nfs/dbraw/zinc/47/89/55/1034478955.db2.gz STUBRBWKVLVRAG-NSHDSACASA-N -1 3 387.307 3.844 20 0 GHADHM [O-]c1ccc(CN2CCN(c3cccc4c3OCCO4)CC2)cc1C(F)(F)F ZINC001231522701 1034673116 /nfs/dbraw/zinc/67/31/16/1034673116.db2.gz KGBKHUHIRINADO-UHFFFAOYSA-N -1 3 394.393 3.504 20 0 GHADHM COc1ccc(O[C@@H]2CCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)nc1 ZINC001231527520 1034680479 /nfs/dbraw/zinc/68/04/79/1034680479.db2.gz MAZNVRYKDSVMGC-OAHLLOKOSA-N -1 3 382.382 3.858 20 0 GHADHM COc1cc(OC2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)ccn1 ZINC001231527892 1034681056 /nfs/dbraw/zinc/68/10/56/1034681056.db2.gz UZFJETFYSLFCDG-UHFFFAOYSA-N -1 3 382.382 3.858 20 0 GHADHM Cn1nccc1C[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001159903319 1034782763 /nfs/dbraw/zinc/78/27/63/1034782763.db2.gz QKKHHLZPNXCCKS-FQEVSTJZSA-N -1 3 375.472 3.564 20 0 GHADHM CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277549415 1034826542 /nfs/dbraw/zinc/82/65/42/1034826542.db2.gz ZZYKKLHXWFFHIU-IFXJQAMLSA-N -1 3 395.341 3.910 20 0 GHADHM Cc1ccc([O-])c(CN(Cc2ccncc2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001231675479 1034827540 /nfs/dbraw/zinc/82/75/40/1034827540.db2.gz QVJKHZDSMDERAH-SFHVURJKSA-N -1 3 398.507 3.502 20 0 GHADHM CC(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277550817 1034834410 /nfs/dbraw/zinc/83/44/10/1034834410.db2.gz GATGSPRVUDQFMK-HNNXBMFYSA-N -1 3 395.341 3.529 20 0 GHADHM [O-]c1cc(CN2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)ccc1Cl ZINC001231731485 1034869265 /nfs/dbraw/zinc/86/92/65/1034869265.db2.gz QJJHQUUDIOCPAK-FBBABVLZSA-N -1 3 388.895 3.779 20 0 GHADHM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC001208531444 1034926257 /nfs/dbraw/zinc/92/62/57/1034926257.db2.gz VHTVEVUMWAEPCO-SGANQWHYSA-N -1 3 396.534 3.526 20 0 GHADHM O=C(NCCCc1cc(=O)[nH][n-]1)C(=Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001160453629 1034978871 /nfs/dbraw/zinc/97/88/71/1034978871.db2.gz KYVHJUSZNUQVCT-XDHOZWIPSA-N -1 3 399.853 3.792 20 0 GHADHM C[C@H]1CN(Cc2ncc(Br)cc2[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001461936609 1069902069 /nfs/dbraw/zinc/90/20/69/1069902069.db2.gz JOZVHUSLLUFAJP-GJZGRUSLSA-N -1 3 390.325 3.645 20 0 GHADHM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1c([O-])cccc1O ZINC001160997405 1035115496 /nfs/dbraw/zinc/11/54/96/1035115496.db2.gz HFQKQXVCXFWHHT-UHFFFAOYSA-N -1 3 378.158 3.936 20 0 GHADHM CC(C)(NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(F)c(F)c1 ZINC001161573717 1035261456 /nfs/dbraw/zinc/26/14/56/1035261456.db2.gz VLFYGOWACGYMPH-UHFFFAOYSA-N -1 3 378.325 3.750 20 0 GHADHM O=C(c1ccccc1[O-])N1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001461981017 1069928081 /nfs/dbraw/zinc/92/80/81/1069928081.db2.gz XYJAQPWHVUXKAT-UHFFFAOYSA-N -1 3 387.892 3.613 20 0 GHADHM CCOC(=O)c1cc(OCC)c(-c2ccc(-c3nnn[n-]3)cc2)c(OCC)c1 ZINC001241446320 1035583637 /nfs/dbraw/zinc/58/36/37/1035583637.db2.gz AYAZTTGQYZLEHN-UHFFFAOYSA-N -1 3 382.420 3.508 20 0 GHADHM CCOC(=O)c1cc(OCC)c(-c2ccc(-c3nn[n-]n3)cc2)c(OCC)c1 ZINC001241446320 1035583643 /nfs/dbraw/zinc/58/36/43/1035583643.db2.gz AYAZTTGQYZLEHN-UHFFFAOYSA-N -1 3 382.420 3.508 20 0 GHADHM CC1(CCNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC001248435407 1035851209 /nfs/dbraw/zinc/85/12/09/1035851209.db2.gz GZYBEIITJAGTEL-ZDUSSCGKSA-N -1 3 383.414 3.559 20 0 GHADHM Cc1cc(OC(F)(F)F)ccc1-c1noc(CNC(=O)c2ccccc2[O-])n1 ZINC001248499609 1035917369 /nfs/dbraw/zinc/91/73/69/1035917369.db2.gz JEMIQNKBERCMBA-UHFFFAOYSA-N -1 3 393.321 3.579 20 0 GHADHM O=C(NCc1nc(-c2cccc(F)c2C(F)(F)F)no1)c1ccccc1[O-] ZINC001248499402 1035917929 /nfs/dbraw/zinc/91/79/29/1035917929.db2.gz CTKLOWQVLJBJRL-UHFFFAOYSA-N -1 3 381.285 3.530 20 0 GHADHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244525410 1036533566 /nfs/dbraw/zinc/53/35/66/1036533566.db2.gz OPEIOCDPFRHDAZ-LJQANCHMSA-N -1 3 384.407 3.698 20 0 GHADHM FC(F)(F)Oc1cc(Br)ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001244550861 1036541619 /nfs/dbraw/zinc/54/16/19/1036541619.db2.gz BOIGYRHRADIPDT-UHFFFAOYSA-N -1 3 386.131 3.590 20 0 GHADHM FC(F)(F)Oc1cc(Br)ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001244550861 1036541623 /nfs/dbraw/zinc/54/16/23/1036541623.db2.gz BOIGYRHRADIPDT-UHFFFAOYSA-N -1 3 386.131 3.590 20 0 GHADHM COc1cc(NC(=S)NCc2cc(Cl)c([O-])c(OC)c2)cc(OC)c1 ZINC001245006269 1036731335 /nfs/dbraw/zinc/73/13/35/1036731335.db2.gz QNJIQIWKCINQML-UHFFFAOYSA-N -1 3 382.869 3.558 20 0 GHADHM COc1ccc(OC)c(NC(=S)Nc2ccc(Br)cc2[O-])c1 ZINC001245687583 1036973956 /nfs/dbraw/zinc/97/39/56/1036973956.db2.gz MRKOZIBZKWBDHV-UHFFFAOYSA-N -1 3 383.267 3.981 20 0 GHADHM CCCC[C@@H](CC)CN1C[C@@H]2CN(Cc3sccc3C(=O)[O-])C[C@H](C1)O2 ZINC001278455498 1037483816 /nfs/dbraw/zinc/48/38/16/1037483816.db2.gz JIWGVKZCDIYSSU-ZACQAIPSSA-N -1 3 380.554 3.548 20 0 GHADHM O=C1C[C@@]2(CCN(Cc3cccc([O-])c3Cl)C2)CN1c1ccc(F)c(F)c1 ZINC001232787963 1038554465 /nfs/dbraw/zinc/55/44/65/1038554465.db2.gz XEVSITALBLTVBJ-HXUWFJFHSA-N -1 3 392.833 3.953 20 0 GHADHM O=C1CCC2(CCN(Cc3cccc([O-])c3Cl)CC2)N1Cc1ccncc1 ZINC001232787858 1038554937 /nfs/dbraw/zinc/55/49/37/1038554937.db2.gz SWGSSQSXEJAGHA-UHFFFAOYSA-N -1 3 385.895 3.598 20 0 GHADHM [O-]c1cccc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1Cl ZINC001232788036 1038555418 /nfs/dbraw/zinc/55/54/18/1038555418.db2.gz WKLGHYRDEHKKDU-GOSISDBHSA-N -1 3 388.895 3.781 20 0 GHADHM [O-]c1ccc(CN2CCC[C@H]2c2ccccn2)cc1I ZINC001232872737 1038637375 /nfs/dbraw/zinc/63/73/75/1038637375.db2.gz HIVDKJATFFAKAJ-HNNXBMFYSA-N -1 3 380.229 3.729 20 0 GHADHM [O-]c1c(F)ccc(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)c1F ZINC001232933213 1038714809 /nfs/dbraw/zinc/71/48/09/1038714809.db2.gz GICDNNKQNZIURR-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233041549 1038799766 /nfs/dbraw/zinc/79/97/66/1038799766.db2.gz YOMHYHQVUFXDKE-UHFFFAOYSA-N -1 3 394.302 3.622 20 0 GHADHM O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233393324 1039225925 /nfs/dbraw/zinc/22/59/25/1039225925.db2.gz OZHNQBUQMSKBCI-SFHVURJKSA-N -1 3 388.414 3.828 20 0 GHADHM [O-]c1ccc(F)c(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1F ZINC001233394604 1039227644 /nfs/dbraw/zinc/22/76/44/1039227644.db2.gz TWFCKJRRDRFMQX-YCRPNKLZSA-N -1 3 390.430 3.516 20 0 GHADHM O=S(=O)(Cc1ccccc1)[N-]c1cccc2c(Br)cncc12 ZINC001252889124 1039233134 /nfs/dbraw/zinc/23/31/34/1039233134.db2.gz XSZDXVAWIUDEOK-UHFFFAOYSA-N -1 3 377.263 3.939 20 0 GHADHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1C(F)(F)F ZINC001252893472 1039235855 /nfs/dbraw/zinc/23/58/55/1039235855.db2.gz VTXYGYAQIUKWCR-UHFFFAOYSA-N -1 3 387.379 3.824 20 0 GHADHM CC(C)Oc1ncc(Br)cc1COc1nc2c(cccc2[O-])[nH]1 ZINC001234451708 1040044156 /nfs/dbraw/zinc/04/41/56/1040044156.db2.gz JNMGJPWJAUFLAO-UHFFFAOYSA-N -1 3 378.226 3.792 20 0 GHADHM CC(C)N1CC[C@H](Oc2cc(-c3cc(=O)c4ccc([O-])cc4o3)ccc2O)C1 ZINC001234497195 1040081375 /nfs/dbraw/zinc/08/13/75/1040081375.db2.gz SFWHWIJZSCLFLS-INIZCTEOSA-N -1 3 381.428 3.733 20 0 GHADHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(O[C@@H]3CCCOC3)c-2o1 ZINC001234731496 1040260303 /nfs/dbraw/zinc/26/03/03/1040260303.db2.gz HMKQORICBCGZEW-CYBMUJFWSA-N -1 3 398.411 3.741 20 0 GHADHM COc1c([O-])cc2c(c1O[C@@H]1CCOC[C@@H]1C)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234762912 1040290617 /nfs/dbraw/zinc/29/06/17/1040290617.db2.gz SHUZRPKEJJNEJO-VHSSKADRSA-N -1 3 384.428 3.911 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H](C(=O)c2ccccn2)c2ccccn2)c1C(C)=O ZINC001234790664 1040321358 /nfs/dbraw/zinc/32/13/58/1040321358.db2.gz ITFHZACANIWYGH-QFIPXVFZSA-N -1 3 392.411 3.705 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1C(C)=O ZINC001234791708 1040322335 /nfs/dbraw/zinc/32/23/35/1040322335.db2.gz QPKBJSXBKNBMBP-SQWLQELKSA-N -1 3 391.464 3.546 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2F)c1C(C)=O ZINC001234791795 1040322597 /nfs/dbraw/zinc/32/25/97/1040322597.db2.gz SZTCJXLOSMNCJU-BBRMVZONSA-N -1 3 397.443 3.638 20 0 GHADHM COc1cc([O-])c(C)c(O[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1C(C)=O ZINC001234792623 1040324026 /nfs/dbraw/zinc/32/40/26/1040324026.db2.gz FATYEFPHHIJYAC-SQWLQELKSA-N -1 3 391.464 3.689 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(Cl)s1 ZINC001254875414 1040620998 /nfs/dbraw/zinc/62/09/98/1040620998.db2.gz UQRVPABSOXXVHO-UHFFFAOYSA-N -1 3 384.237 3.781 20 0 GHADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)o1 ZINC001255096931 1040779784 /nfs/dbraw/zinc/77/97/84/1040779784.db2.gz RAIWIOTYBRZEBF-UHFFFAOYSA-N -1 3 393.852 3.556 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Br)c1ccc(C(F)(F)F)cc1 ZINC001255869835 1041359637 /nfs/dbraw/zinc/35/96/37/1041359637.db2.gz WROQNYTXADGQSD-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM CCN(CC)C(=O)c1cc(-c2cc(-c3nnn[n-]3)ccc2OC)ccc1Cl ZINC001236140428 1041566155 /nfs/dbraw/zinc/56/61/55/1041566155.db2.gz OYDCMZCBTHWUPB-UHFFFAOYSA-N -1 3 385.855 3.678 20 0 GHADHM CCN(CC)C(=O)c1cc(-c2cc(-c3nn[n-]n3)ccc2OC)ccc1Cl ZINC001236140428 1041566165 /nfs/dbraw/zinc/56/61/65/1041566165.db2.gz OYDCMZCBTHWUPB-UHFFFAOYSA-N -1 3 385.855 3.678 20 0 GHADHM [O-]c1cc(CN2CCC(O)(c3ccccc3F)CC2)ccc1Br ZINC001236686606 1041831711 /nfs/dbraw/zinc/83/17/11/1041831711.db2.gz ZPJMMYJDMMPGJA-UHFFFAOYSA-N -1 3 380.257 3.777 20 0 GHADHM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1ccc(F)c([O-])c1)C2 ZINC001236701502 1041840845 /nfs/dbraw/zinc/84/08/45/1041840845.db2.gz JLGOSBNAUKRLBX-UHFFFAOYSA-N -1 3 378.451 3.652 20 0 GHADHM [O-]c1cc(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)ccc1Br ZINC001236703647 1041842164 /nfs/dbraw/zinc/84/21/64/1041842164.db2.gz UPRAPZJEUNDQJU-MRXNPFEDSA-N -1 3 389.284 3.850 20 0 GHADHM O=C1C[C@@]2(CN1CC1CCCC1)CCCCN2Cc1cc(Cl)ncc1[O-] ZINC001278055173 1042047101 /nfs/dbraw/zinc/04/71/01/1042047101.db2.gz BBPVBCMSCATPQE-HXUWFJFHSA-N -1 3 377.916 3.588 20 0 GHADHM [O-]c1cc(F)cc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC001237276362 1042119621 /nfs/dbraw/zinc/11/96/21/1042119621.db2.gz BOTQOILGDMRTNZ-UHFFFAOYSA-N -1 3 379.273 3.612 20 0 GHADHM CC(C)(C)OC(=O)N1CC([C@H]2CCN(Cc3cc(F)c([O-])c(Cl)c3)C2)C1 ZINC001237983260 1042444515 /nfs/dbraw/zinc/44/45/15/1042444515.db2.gz FOMRAMRNTWKIRL-ZDUSSCGKSA-N -1 3 384.879 3.874 20 0 GHADHM [O-]c1cc(F)c(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001238146028 1042503206 /nfs/dbraw/zinc/50/32/06/1042503206.db2.gz DJTGIAQEFRGSOI-WBMJQRKESA-N -1 3 381.904 3.738 20 0 GHADHM NC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149971 1042505392 /nfs/dbraw/zinc/50/53/92/1042505392.db2.gz MRUPQGBQQYBOOP-IEBWSBKVSA-N -1 3 376.859 3.808 20 0 GHADHM O=C([O-])c1cc(F)ccc1CN1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001238232587 1042526600 /nfs/dbraw/zinc/52/66/00/1042526600.db2.gz KKZUKQFCRUBVSC-UHFFFAOYSA-N -1 3 383.448 3.643 20 0 GHADHM O=S(=O)([N-][C@H]1CNCc2ccsc21)c1c(Cl)cc(Cl)cc1Cl ZINC001238310032 1042551450 /nfs/dbraw/zinc/55/14/50/1042551450.db2.gz ALXLNJRQDHJKRQ-NSHDSACASA-N -1 3 397.736 3.831 20 0 GHADHM CCCCOc1ncc(CN2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)cc1C ZINC001238491460 1042617648 /nfs/dbraw/zinc/61/76/48/1042617648.db2.gz DJWJYKMOGWDIEZ-KRWDZBQOSA-N -1 3 391.512 3.585 20 0 GHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC001462680879 1070466541 /nfs/dbraw/zinc/46/65/41/1070466541.db2.gz IFOTWQMXGUJOPO-UHFFFAOYSA-N -1 3 394.306 3.846 20 0 GHADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001291728336 1043427438 /nfs/dbraw/zinc/42/74/38/1043427438.db2.gz MBGQHAWFKVQJFJ-UHFFFAOYSA-N -1 3 376.459 3.621 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CCCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001278966267 1043678155 /nfs/dbraw/zinc/67/81/55/1043678155.db2.gz XHACHQAJMWAQOT-UHFFFAOYSA-N -1 3 379.476 3.533 20 0 GHADHM CSc1cc(Br)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432405 1043730509 /nfs/dbraw/zinc/73/05/09/1043730509.db2.gz HBCIKEICSGPTJW-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CSc1cc(Br)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432405 1043730521 /nfs/dbraw/zinc/73/05/21/1043730521.db2.gz HBCIKEICSGPTJW-UHFFFAOYSA-N -1 3 390.266 3.603 20 0 GHADHM CN(CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC(C)(C)C ZINC001292572050 1043791570 /nfs/dbraw/zinc/79/15/70/1043791570.db2.gz GXFSOENPDYXLOI-UHFFFAOYSA-N -1 3 398.503 3.774 20 0 GHADHM O=c1[nH]cc(-c2ccccn2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257205690 1043935359 /nfs/dbraw/zinc/93/53/59/1043935359.db2.gz SLIGPDHHEBBQEW-UHFFFAOYSA-N -1 3 396.255 3.957 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1 ZINC001257294096 1043959486 /nfs/dbraw/zinc/95/94/86/1043959486.db2.gz XUVBZBDJQUCXAB-UHFFFAOYSA-N -1 3 378.252 3.662 20 0 GHADHM CC(C)(O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccccc1 ZINC001257527891 1044032815 /nfs/dbraw/zinc/03/28/15/1044032815.db2.gz FPDDOPZBZNVPKH-LBPRGKRZSA-N -1 3 380.318 3.845 20 0 GHADHM O=S(=O)([N-]Cc1cc(OC2CCC2)ccn1)c1c(Cl)cccc1Cl ZINC001257785785 1044170192 /nfs/dbraw/zinc/17/01/92/1044170192.db2.gz SCFTYLGOQURZTQ-UHFFFAOYSA-N -1 3 387.288 3.798 20 0 GHADHM O=S(=O)([N-]C[C@H](O)c1cc2ccccc2o1)c1c(Cl)cccc1Cl ZINC001257794766 1044178235 /nfs/dbraw/zinc/17/82/35/1044178235.db2.gz DOEGUZDYFUBBRN-ZDUSSCGKSA-N -1 3 386.256 3.752 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)cn1 ZINC001257855254 1044222745 /nfs/dbraw/zinc/22/27/45/1044222745.db2.gz YXZZGXGYMFNMEK-UHFFFAOYSA-N -1 3 392.278 3.744 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)N1CCc2ccccc2C1 ZINC001462812404 1070562982 /nfs/dbraw/zinc/56/29/82/1070562982.db2.gz ZQCBVWWUAOSJHV-MRXNPFEDSA-N -1 3 398.981 3.825 20 0 GHADHM O=C(NC[C@@H](CO)Cc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001293927495 1044385660 /nfs/dbraw/zinc/38/56/60/1044385660.db2.gz AKXZMRNGZOVCCJ-NRFANRHFSA-N -1 3 375.468 3.564 20 0 GHADHM Cc1ncsc1CN1CC2(C1)CN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001279084740 1044480212 /nfs/dbraw/zinc/48/02/12/1044480212.db2.gz VBXNCCMYYPCEJU-UHFFFAOYSA-N -1 3 384.332 3.782 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)Cc2ccccc2Cl)c1 ZINC001462842992 1070589660 /nfs/dbraw/zinc/58/96/60/1070589660.db2.gz XPZFDTPCVPUOCN-GFCCVEGCSA-N -1 3 399.871 3.565 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)F)nc1Cl)c1cc(F)ccc1F ZINC001258942384 1044899486 /nfs/dbraw/zinc/89/94/86/1044899486.db2.gz PRBDTQAXYFHCQQ-UHFFFAOYSA-N -1 3 388.701 3.713 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Br)nc1Cl ZINC001258942692 1044899577 /nfs/dbraw/zinc/89/95/77/1044899577.db2.gz BWYLIOYYLYZRSN-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)c(OC)c1 ZINC001258959811 1044907028 /nfs/dbraw/zinc/90/70/28/1044907028.db2.gz PBYZXVUPHRKMLP-UHFFFAOYSA-N -1 3 397.321 3.802 20 0 GHADHM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001295107529 1044917924 /nfs/dbraw/zinc/91/79/24/1044917924.db2.gz GGTPVEUCGVLIKN-UHFFFAOYSA-N -1 3 395.484 3.948 20 0 GHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccc2ccccc2c1 ZINC001259104224 1044963810 /nfs/dbraw/zinc/96/38/10/1044963810.db2.gz MEFGECYZWCTESD-HXUWFJFHSA-N -1 3 383.469 3.649 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc3c2OCCC3=O)s1 ZINC001295454866 1045022429 /nfs/dbraw/zinc/02/24/29/1045022429.db2.gz FXSOLJIMFVOUCC-UHFFFAOYSA-N -1 3 389.433 3.708 20 0 GHADHM COc1ccccc1C1([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)COC1 ZINC001259233609 1045029355 /nfs/dbraw/zinc/02/93/55/1045029355.db2.gz QDYWEMHJUUDFRN-UHFFFAOYSA-N -1 3 395.480 3.566 20 0 GHADHM COc1ccccc1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001259302306 1045066352 /nfs/dbraw/zinc/06/63/52/1045066352.db2.gz LSXFWLIJOVHZSI-AWEZNQCLSA-N -1 3 379.787 3.931 20 0 GHADHM O=S(=O)([N-]c1ccc(OC(F)(F)C(F)F)cc1)c1ccc2c(c1)CCO2 ZINC001259356334 1045097576 /nfs/dbraw/zinc/09/75/76/1045097576.db2.gz SKIOCQZTLRAUMP-UHFFFAOYSA-N -1 3 391.342 3.659 20 0 GHADHM O=S(=O)([N-]c1ccc(C2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC001259369524 1045104673 /nfs/dbraw/zinc/10/46/73/1045104673.db2.gz GWOSUYDLXJAQIO-UHFFFAOYSA-N -1 3 383.473 3.567 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(Cl)c3F)cc2o1 ZINC001259384391 1045112415 /nfs/dbraw/zinc/11/24/15/1045112415.db2.gz MWRSXFCBWDCZAF-UHFFFAOYSA-N -1 3 395.170 3.919 20 0 GHADHM C[C@H](c1ccccc1)N(CCO)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001295718356 1045115893 /nfs/dbraw/zinc/11/58/93/1045115893.db2.gz BIMZJVFYTKSTIS-CYBMUJFWSA-N -1 3 391.493 3.686 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC2CCC2)c2ccccc2)c([O-])c1 ZINC001295774252 1045134886 /nfs/dbraw/zinc/13/48/86/1045134886.db2.gz HDQUJFCGYRZRPZ-FQEVSTJZSA-N -1 3 380.488 3.868 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)sc1Cl ZINC001462888805 1070627413 /nfs/dbraw/zinc/62/74/13/1070627413.db2.gz WPOKXIMNXWTTMS-MRXNPFEDSA-N -1 3 399.921 3.911 20 0 GHADHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3cccc(OC(F)F)c3)cc2)cn1 ZINC001259445330 1045160102 /nfs/dbraw/zinc/16/01/02/1045160102.db2.gz XABJGBUQJJKKQT-UHFFFAOYSA-N -1 3 379.388 3.583 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc3ccc(Br)cc3c2)[n-]n1 ZINC001295911805 1045185580 /nfs/dbraw/zinc/18/55/80/1045185580.db2.gz ATUAGOCVCCFGAB-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2ccc3ccc(Br)cc3c2)n[n-]1 ZINC001295911805 1045185588 /nfs/dbraw/zinc/18/55/88/1045185588.db2.gz ATUAGOCVCCFGAB-UHFFFAOYSA-N -1 3 388.221 3.754 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C=Cc2cc(C(F)(F)F)ccc2Cl)[n-]n1 ZINC001295912584 1045187289 /nfs/dbraw/zinc/18/72/89/1045187289.db2.gz JMZBYDFRBYVGEQ-ZZXKWVIFSA-N -1 3 387.745 3.911 20 0 GHADHM CCOC(=O)c1cc(NC(=O)C=Cc2cc(C(F)(F)F)ccc2Cl)n[n-]1 ZINC001295912584 1045187298 /nfs/dbraw/zinc/18/72/98/1045187298.db2.gz JMZBYDFRBYVGEQ-ZZXKWVIFSA-N -1 3 387.745 3.911 20 0 GHADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)co2)cc1 ZINC001259514399 1045215994 /nfs/dbraw/zinc/21/59/94/1045215994.db2.gz LBBSEHSERMXUDL-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F ZINC001259515851 1045217007 /nfs/dbraw/zinc/21/70/07/1045217007.db2.gz RLIDTWGNXYVLLY-ZDUSSCGKSA-N -1 3 398.670 3.798 20 0 GHADHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC001259717186 1045273305 /nfs/dbraw/zinc/27/33/05/1045273305.db2.gz CGUIOVITJNRWRV-UHFFFAOYSA-N -1 3 383.420 3.639 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1cccc2cnccc21 ZINC001296283940 1045294708 /nfs/dbraw/zinc/29/47/08/1045294708.db2.gz SFNZFHAWZYAHDU-UHFFFAOYSA-N -1 3 390.180 3.797 20 0 GHADHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)CCc2ccccc2F)c1Cl ZINC001259786918 1045304217 /nfs/dbraw/zinc/30/42/17/1045304217.db2.gz VOUVEYAKHQAEOB-UHFFFAOYSA-N -1 3 385.844 3.675 20 0 GHADHM COc1ccc(CS(=O)(=O)[N-]c2c(SC)cc(C)nc2SC)cc1 ZINC001259891651 1045328908 /nfs/dbraw/zinc/32/89/08/1045328908.db2.gz LWUHMPNCXDVJJE-UHFFFAOYSA-N -1 3 384.548 3.784 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cccc(Cl)c1CO ZINC001260033318 1045365018 /nfs/dbraw/zinc/36/50/18/1045365018.db2.gz NIPGLOMWFVFWPU-UHFFFAOYSA-N -1 3 379.787 3.793 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)nccc2Br)c2ccncc12 ZINC001260087713 1045378372 /nfs/dbraw/zinc/37/83/72/1045378372.db2.gz ZVIWZSNSZSGAGA-UHFFFAOYSA-N -1 3 392.278 3.810 20 0 GHADHM O=S(=O)([N-]c1ccc(C2OCCO2)cc1)c1ccc(Oc2ccccn2)cc1 ZINC001260147025 1045397784 /nfs/dbraw/zinc/39/77/84/1045397784.db2.gz NGMKIHDZCHUGJA-UHFFFAOYSA-N -1 3 398.440 3.720 20 0 GHADHM O=c1[nH]oc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccn4)cc3)cc12 ZINC001260147872 1045398277 /nfs/dbraw/zinc/39/82/77/1045398277.db2.gz ZKQPSGGHVIYKMF-UHFFFAOYSA-N -1 3 383.385 3.522 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1ccc(Cl)c(Cl)c1 ZINC001260308812 1045453441 /nfs/dbraw/zinc/45/34/41/1045453441.db2.gz SXNPCNRMRQDOPE-UHFFFAOYSA-N -1 3 382.066 3.952 20 0 GHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC001260325869 1045462990 /nfs/dbraw/zinc/46/29/90/1045462990.db2.gz JKFKZORJJZVLMO-UHFFFAOYSA-N -1 3 397.628 3.885 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccc1F ZINC001260331539 1045465052 /nfs/dbraw/zinc/46/50/52/1045465052.db2.gz QLIITCGSAHHJCO-QMMMGPOBSA-N -1 3 394.212 3.906 20 0 GHADHM CSc1ncc(Cl)c(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC001260372995 1045479985 /nfs/dbraw/zinc/47/99/85/1045479985.db2.gz WOJDGKBTYOODKH-UHFFFAOYSA-N -1 3 398.724 3.637 20 0 GHADHM CC(C)c1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC001260380390 1045483764 /nfs/dbraw/zinc/48/37/64/1045483764.db2.gz IAWDMYVJFVCZCT-UHFFFAOYSA-N -1 3 393.303 3.647 20 0 GHADHM Cc1noc2ccc(C[N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc12 ZINC001260473597 1045508855 /nfs/dbraw/zinc/50/88/55/1045508855.db2.gz CEQHZBGPPUVNLX-UHFFFAOYSA-N -1 3 377.274 3.983 20 0 GHADHM O=S(=O)([N-]c1cnccc1Br)c1cccc(OC(F)(F)F)c1 ZINC001260495956 1045516339 /nfs/dbraw/zinc/51/63/39/1045516339.db2.gz BREBLEIABVETIW-UHFFFAOYSA-N -1 3 397.172 3.544 20 0 GHADHM O=C(CCCc1ccc(Br)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC001462920329 1070661715 /nfs/dbraw/zinc/66/17/15/1070661715.db2.gz CGLAGABVLLAWPD-UHFFFAOYSA-N -1 3 375.226 3.789 20 0 GHADHM COC(=O)c1cc(NC(=O)Cc2ccc([O-])c(F)c2)c(C)cc1Br ZINC001297519351 1045549746 /nfs/dbraw/zinc/54/97/46/1045549746.db2.gz XPPMJWHUNHOHOW-UHFFFAOYSA-N -1 3 396.212 3.570 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCOCC2)cc1C ZINC001260638870 1045585381 /nfs/dbraw/zinc/58/53/81/1045585381.db2.gz HIHGASVUKDHBOU-UHFFFAOYSA-N -1 3 395.452 3.501 20 0 GHADHM C[C@@H](NC(=O)C(C)(C)CCCc1ccccc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001297608301 1045586486 /nfs/dbraw/zinc/58/64/86/1045586486.db2.gz ACUQBMNDTHUDIS-IAGOWNOFSA-N -1 3 397.519 3.916 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCCCCc1cccs1 ZINC001297608786 1045587396 /nfs/dbraw/zinc/58/73/96/1045587396.db2.gz CKJDUYYGSJKDPD-CABCVRRESA-N -1 3 389.521 3.731 20 0 GHADHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC001260712586 1045619636 /nfs/dbraw/zinc/61/96/36/1045619636.db2.gz ISJIDYYWXBLXRJ-UHFFFAOYSA-N -1 3 394.880 3.842 20 0 GHADHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1F ZINC001260717553 1045623241 /nfs/dbraw/zinc/62/32/41/1045623241.db2.gz DKVDBSZSJNEDQW-UHFFFAOYSA-N 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ZINC001260998434 1045813147 /nfs/dbraw/zinc/81/31/47/1045813147.db2.gz GCIPFOZJRZRQPN-UHFFFAOYSA-N -1 3 391.489 3.825 20 0 GHADHM O=S(=O)([N-]c1cc(F)nc(F)c1Cl)c1ccc(F)cc1C(F)(F)F ZINC001261005686 1045824061 /nfs/dbraw/zinc/82/40/61/1045824061.db2.gz VSUVUAUFSRPDRH-UHFFFAOYSA-N -1 3 390.692 3.972 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261010283 1045827290 /nfs/dbraw/zinc/82/72/90/1045827290.db2.gz VRIIWBBEAWUJOD-UHFFFAOYSA-N -1 3 379.306 3.987 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccc(F)cn1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC001261013439 1045833516 /nfs/dbraw/zinc/83/35/16/1045833516.db2.gz ANFFEAUPXGPCRX-OAHLLOKOSA-N -1 3 392.349 3.808 20 0 GHADHM O=S(=O)([N-]CC1(Cc2cccnc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC001261014008 1045835995 /nfs/dbraw/zinc/83/59/95/1045835995.db2.gz MUKNYZAGYWCZOX-UHFFFAOYSA-N -1 3 388.386 3.541 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)c1 ZINC001298552732 1045868298 /nfs/dbraw/zinc/86/82/98/1045868298.db2.gz 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O=C([O-])[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@H]1c1ccc(F)cc1F ZINC001261520872 1046019981 /nfs/dbraw/zinc/01/99/81/1046019981.db2.gz HYSVRWQBWWZMNU-LSDHHAIUSA-N -1 3 383.341 3.866 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC001261579960 1046035727 /nfs/dbraw/zinc/03/57/27/1046035727.db2.gz DZNDVMBLGQWKTG-AYMMMOKOSA-N -1 3 375.746 3.681 20 0 GHADHM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001463019004 1070734697 /nfs/dbraw/zinc/73/46/97/1070734697.db2.gz KUAGWGZMDBNADL-UHFFFAOYSA-N -1 3 395.937 3.953 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001261842075 1046113577 /nfs/dbraw/zinc/11/35/77/1046113577.db2.gz LWIYKZVQSXRLKY-UHFFFAOYSA-N -1 3 379.863 3.901 20 0 GHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC001300860348 1046213167 /nfs/dbraw/zinc/21/31/67/1046213167.db2.gz KNMRWTXHZOQXCG-KRWDZBQOSA-N -1 3 386.810 3.534 20 0 GHADHM CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001301104811 1046343230 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O=C(/C=C/C1CCCC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001302622437 1047011498 /nfs/dbraw/zinc/01/14/98/1047011498.db2.gz XFWSXTNWIWAAEF-BOLDSZDNSA-N -1 3 380.410 3.932 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2Cl)cc1F ZINC001463146221 1070851657 /nfs/dbraw/zinc/85/16/57/1070851657.db2.gz OTCKADZGYCUZLS-AWEZNQCLSA-N -1 3 396.242 3.592 20 0 GHADHM O=C([N-]OCCCC(F)(F)F)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001302859565 1047150296 /nfs/dbraw/zinc/15/02/96/1047150296.db2.gz QFLKCEUNZOUGAJ-GFCCVEGCSA-N -1 3 387.427 3.903 20 0 GHADHM C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001304132883 1047596140 /nfs/dbraw/zinc/59/61/40/1047596140.db2.gz WXQYJSDTAJCMHB-MRVPVSSYSA-N -1 3 399.373 3.501 20 0 GHADHM CCc1ccccc1-n1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)nn1 ZINC001265389996 1047600482 /nfs/dbraw/zinc/60/04/82/1047600482.db2.gz QPNZGVFUOHMELV-UHFFFAOYSA-N -1 3 384.852 3.740 20 0 GHADHM CCNc1ccc(C)cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304568874 1047715982 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3.757 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccco4)n3)nc21 ZINC001289645008 1049574095 /nfs/dbraw/zinc/57/40/95/1049574095.db2.gz YINFTPPXEMAPPF-UHFFFAOYSA-N -1 3 382.401 3.708 20 0 GHADHM C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001307961961 1049724922 /nfs/dbraw/zinc/72/49/22/1049724922.db2.gz ZYTPISTYMFYJKU-GYSYKLTISA-N -1 3 380.357 3.738 20 0 GHADHM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001290499465 1049859090 /nfs/dbraw/zinc/85/90/90/1049859090.db2.gz ZCNDRODISPAKQD-UHFFFAOYSA-N -1 3 384.819 3.573 20 0 GHADHM COC(=O)C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc(OC)cc1 ZINC001290661549 1049895097 /nfs/dbraw/zinc/89/50/97/1049895097.db2.gz GQXNWMHOUQFXGB-INIZCTEOSA-N -1 3 385.441 3.650 20 0 GHADHM CCOc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc(Cl)c1[O-] ZINC001308690346 1050060727 /nfs/dbraw/zinc/06/07/27/1050060727.db2.gz YITSQEWMKBJAAJ-CYBMUJFWSA-N -1 3 384.904 3.886 20 0 GHADHM [O-]c1ccc(CN2CCN(Cc3cc(Br)ccc3F)CC2)cc1F ZINC001308722564 1050071814 /nfs/dbraw/zinc/07/18/14/1050071814.db2.gz LXCVRPDZKFCESA-UHFFFAOYSA-N -1 3 397.263 3.751 20 0 GHADHM O=S(=O)([N-]C1CC2(CC2(F)F)C1)c1cc(C(F)(F)F)ccc1Cl ZINC001327403777 1050175811 /nfs/dbraw/zinc/17/58/11/1050175811.db2.gz NZOWWGXJAHUFOO-UHFFFAOYSA-N -1 3 375.746 3.825 20 0 GHADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001309007753 1050266856 /nfs/dbraw/zinc/26/68/56/1050266856.db2.gz SYXCRGZAXCGGAH-UHFFFAOYSA-N -1 3 392.868 3.720 20 0 GHADHM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001309007753 1050266861 /nfs/dbraw/zinc/26/68/61/1050266861.db2.gz SYXCRGZAXCGGAH-UHFFFAOYSA-N -1 3 392.868 3.720 20 0 GHADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cc(C)cc1F)c1ccsc1 ZINC001309052865 1050304660 /nfs/dbraw/zinc/30/46/60/1050304660.db2.gz FMEKUTQPBLTQDV-MRXNPFEDSA-N -1 3 388.505 3.696 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCOC(C)(C)C)c(Br)c1 ZINC001309109172 1050363833 /nfs/dbraw/zinc/36/38/33/1050363833.db2.gz NETBQKQGGSMABJ-UHFFFAOYSA-N -1 3 384.723 3.504 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(C)cc1 ZINC001309233363 1050499428 /nfs/dbraw/zinc/49/94/28/1050499428.db2.gz AJTBNLYSMGOUST-ZDUSSCGKSA-N -1 3 377.437 3.935 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)c1ccccc1F ZINC001309245602 1050514104 /nfs/dbraw/zinc/51/41/04/1050514104.db2.gz SJHLRTSOTOQEIS-BBRMVZONSA-N -1 3 392.279 3.923 20 0 GHADHM O=S(=O)([N-]Cc1ccc[nH]1)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001309261113 1050531734 /nfs/dbraw/zinc/53/17/34/1050531734.db2.gz ADVFUPSDSDLKSM-UHFFFAOYSA-N -1 3 387.408 3.636 20 0 GHADHM CS[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)(C)C ZINC001309398140 1050676662 /nfs/dbraw/zinc/67/66/62/1050676662.db2.gz RWDFLGGIUWEVNN-VIFPVBQESA-N -1 3 386.402 3.875 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-]C1CCC2(CCCCC2)CC1)c1ccccc1 ZINC001309403872 1050684937 /nfs/dbraw/zinc/68/49/37/1050684937.db2.gz NCGGHWORBQCQME-XMMPIXPASA-N -1 3 384.567 3.871 20 0 GHADHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-][C@@H](CC)C(F)(F)F)cc2c1C ZINC001309416241 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20 0 GHADHM O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1c[n-]c2ccccc2c1=O ZINC001336888515 1052358469 /nfs/dbraw/zinc/35/84/69/1052358469.db2.gz GUOQCFIREFNOHG-UHFFFAOYSA-N -1 3 381.819 3.561 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC001337590585 1052509053 /nfs/dbraw/zinc/50/90/53/1052509053.db2.gz CPPCDWVVYFCEQJ-RUZDIDTESA-N -1 3 381.885 3.739 20 0 GHADHM CC(C)c1ccc(C2(C(=O)OCC(=O)[N-]C(=O)c3cccs3)CCC2)cc1 ZINC001318133974 1054439316 /nfs/dbraw/zinc/43/93/16/1054439316.db2.gz XBOUEPSUFKPAIN-UHFFFAOYSA-N -1 3 385.485 3.793 20 0 GHADHM Cc1nc(-c2nnc(N3CCC(c4ccsc4)CC3)n2CC2CC2)cc(=O)[n-]1 ZINC001345202071 1054939420 /nfs/dbraw/zinc/93/94/20/1054939420.db2.gz MOJFOHBMJCILFA-UHFFFAOYSA-N -1 3 396.520 3.605 20 0 GHADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCc1c(C)nc[n-]c1=O ZINC001319178531 1055081740 /nfs/dbraw/zinc/08/17/40/1055081740.db2.gz VNQXNUWCIPVMKV-UHFFFAOYSA-N -1 3 376.460 3.534 20 0 GHADHM O=C([O-])[C@H](CCc1ccccc1)NCc1csc(COc2ccccc2)n1 ZINC001320733183 1055943793 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COc1ccc(CN(C(=O)c2cc3c(cc2[O-])OCO3)[C@H](C)C2CC2)c(OC)c1 ZINC000848101187 1056627736 /nfs/dbraw/zinc/62/77/36/1056627736.db2.gz BQVQSEMFUFPJEK-CYBMUJFWSA-N -1 3 399.443 3.579 20 0 GHADHM CC(C)CCOCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001474886211 1056761940 /nfs/dbraw/zinc/76/19/40/1056761940.db2.gz ILQDTZHIULNXRC-UHFFFAOYSA-N -1 3 388.942 3.805 20 0 GHADHM CCc1ccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2cccc(F)c2)cc1 ZINC001323630188 1056992859 /nfs/dbraw/zinc/99/28/59/1056992859.db2.gz FCGRLPAGZKYNMI-QFIPXVFZSA-N -1 3 393.462 3.949 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(OC)cc2C)cc1 ZINC001324428201 1057131545 /nfs/dbraw/zinc/13/15/45/1057131545.db2.gz HWENEQYWUPCAPB-UHFFFAOYSA-N -1 3 375.368 3.832 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC001324763032 1057221095 /nfs/dbraw/zinc/22/10/95/1057221095.db2.gz HLVQSVBZIXYGSS-UHFFFAOYSA-N -1 3 375.472 3.983 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1nc(C)cs1 ZINC001324858933 1057237557 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3.728 20 0 GHADHM CCOC(=O)c1oc([N-][C@H](c2ccccc2F)[C@H](C)O)nc1C(F)(F)F ZINC001337906572 1058323134 /nfs/dbraw/zinc/32/31/34/1058323134.db2.gz JQVYDYMBSDQJAF-KWQFWETISA-N -1 3 376.306 3.543 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(C)c(OC)c4)CC3)nc21 ZINC001439999747 1058383141 /nfs/dbraw/zinc/38/31/41/1058383141.db2.gz UKTYQQNAWLOORF-UHFFFAOYSA-N -1 3 393.443 3.727 20 0 GHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001440198718 1058460825 /nfs/dbraw/zinc/46/08/25/1058460825.db2.gz GNHFSSMBAQBESJ-NXHRZFHOSA-N -1 3 398.469 3.807 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccnc(F)c3)cc2)cc1 ZINC001440516003 1058528621 /nfs/dbraw/zinc/52/86/21/1058528621.db2.gz BHGCUJLVEWFHKJ-UHFFFAOYSA-N -1 3 399.447 3.511 20 0 GHADHM CSc1ccc([O-])c(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC001440668227 1058569694 /nfs/dbraw/zinc/56/96/94/1058569694.db2.gz ZQQPYEYHVYFHRQ-UHFFFAOYSA-N -1 3 381.501 3.906 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1[N-]C(=O)c1nnc(-c2ccco2)o1 ZINC001440879250 1058647015 /nfs/dbraw/zinc/64/70/15/1058647015.db2.gz HERXXKWTWKKNNV-UHFFFAOYSA-N -1 3 397.309 3.626 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Oc3ccccc3)nc2)c1 ZINC001442703078 1058995473 /nfs/dbraw/zinc/99/54/73/1058995473.db2.gz NBOPOIRZSHHEEE-UHFFFAOYSA-N -1 3 389.411 3.634 20 0 GHADHM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC001443022789 1059047167 /nfs/dbraw/zinc/04/71/67/1059047167.db2.gz MCJZNLLHKSCVFG-UHFFFAOYSA-N -1 3 392.864 3.580 20 0 GHADHM CC(C)(C)OC(=O)N(CCNC(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC001443159488 1059076902 /nfs/dbraw/zinc/07/69/02/1059076902.db2.gz YFDNTWZBGZZGQN-UHFFFAOYSA-N -1 3 376.478 3.736 20 0 GHADHM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cc(F)cc2n[n-]nc21 ZINC001443352795 1059109517 /nfs/dbraw/zinc/10/95/17/1059109517.db2.gz FEIFEQQXRHOVBE-UHFFFAOYSA-N -1 3 390.374 3.706 20 0 GHADHM CCN(CCCNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC(C)(C)C ZINC001443430962 1059129808 /nfs/dbraw/zinc/12/98/08/1059129808.db2.gz NPZUNNIPBSLYKP-UHFFFAOYSA-N -1 3 382.476 3.617 20 0 GHADHM COc1ccc2[nH]cc(CCNC(=O)c3cc([O-])cc(Br)c3)c2c1 ZINC001443853064 1059217181 /nfs/dbraw/zinc/21/71/81/1059217181.db2.gz RWVVZRSNMAVBRO-UHFFFAOYSA-N -1 3 389.249 3.617 20 0 GHADHM COC(=O)c1ccc(OCc2ccccc2)c([N-]C(=O)c2cc(Cl)no2)c1 ZINC001445543386 1059561568 /nfs/dbraw/zinc/56/15/68/1059561568.db2.gz PTWFPEJNDQUKGX-UHFFFAOYSA-N -1 3 386.791 3.946 20 0 GHADHM CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](c2ccccc2)CC1 ZINC001340018305 1059622895 /nfs/dbraw/zinc/62/28/95/1059622895.db2.gz GKEWMLDNQHNZAT-KRWDZBQOSA-N -1 3 378.480 3.543 20 0 GHADHM Cc1cccc(O)c1NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001446724436 1059842816 /nfs/dbraw/zinc/84/28/16/1059842816.db2.gz XJNFORIBAGTLAQ-UHFFFAOYSA-N -1 3 378.306 3.693 20 0 GHADHM COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(=O)[n-]cn2)c1 ZINC001446788987 1059857769 /nfs/dbraw/zinc/85/77/69/1059857769.db2.gz RHVRPDXUUMEKAX-RXVVDRJESA-N -1 3 375.428 3.562 20 0 GHADHM O=C(NCCOc1cccc(C(F)(F)F)n1)c1cc2sccc2c([O-])c1 ZINC001447296637 1059944393 /nfs/dbraw/zinc/94/43/93/1059944393.db2.gz CXIWDFXVYDOSIR-UHFFFAOYSA-N -1 3 382.363 3.830 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])c1ccn(C2CCCC2)n1 ZINC001447622199 1059988753 /nfs/dbraw/zinc/98/87/53/1059988753.db2.gz BKURZKDLZPEAOI-UHFFFAOYSA-N -1 3 397.216 3.561 20 0 GHADHM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001447965441 1060074690 /nfs/dbraw/zinc/07/46/90/1060074690.db2.gz UGCXLUWPVBWCLS-GJZGRUSLSA-N -1 3 382.410 3.948 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1[C@H](C)CCC[C@H]1C ZINC001449260675 1060364511 /nfs/dbraw/zinc/36/45/11/1060364511.db2.gz CIMCNXKRKJNSSB-CHWSQXEVSA-N -1 3 395.459 3.547 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC1CCCCCC1 ZINC001449656956 1060440565 /nfs/dbraw/zinc/44/05/65/1060440565.db2.gz RXEUZVGNRIGWSM-UHFFFAOYSA-N -1 3 395.459 3.693 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](CC(C)C)NCC(F)(F)F ZINC001450227024 1060555131 /nfs/dbraw/zinc/55/51/31/1060555131.db2.gz MSZBSMROUFEXLX-NSHDSACASA-N -1 3 397.235 3.968 20 0 GHADHM CC(=O)N(c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1)C1CC1 ZINC001450343583 1060577911 /nfs/dbraw/zinc/57/79/11/1060577911.db2.gz GSWIVLLKDVYRKO-UHFFFAOYSA-N -1 3 389.249 3.922 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccc(F)cc3C)CC2)c1 ZINC001450393190 1060585659 /nfs/dbraw/zinc/58/56/59/1060585659.db2.gz IRAOCTZGYAEDRZ-UHFFFAOYSA-N -1 3 382.435 3.984 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450923529 1060717740 /nfs/dbraw/zinc/71/77/40/1060717740.db2.gz YNMCHYABQYBHSW-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450923529 1060717748 /nfs/dbraw/zinc/71/77/48/1060717748.db2.gz YNMCHYABQYBHSW-LBPRGKRZSA-N -1 3 389.381 3.627 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3sc4cccc(F)c4c3Cl)c2c(=O)n1C ZINC001452052364 1060890137 /nfs/dbraw/zinc/89/01/37/1060890137.db2.gz PSEFUBYETICWLI-UHFFFAOYSA-N -1 3 390.827 3.830 20 0 GHADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)n[nH]1 ZINC001452328574 1060924927 /nfs/dbraw/zinc/92/49/27/1060924927.db2.gz BVDQXLVVNPEMSR-WCBMZHEXSA-N -1 3 392.337 3.526 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2n[n-]nc21 ZINC001452517814 1060953598 /nfs/dbraw/zinc/95/35/98/1060953598.db2.gz PIXRMXVRBNBGCC-IBGZPJMESA-N -1 3 378.819 3.945 20 0 GHADHM COc1cccc(CC2(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)CCCCC2)c1 ZINC001452719828 1060992906 /nfs/dbraw/zinc/99/29/06/1060992906.db2.gz LOHQWLNNCLPWGI-QGZVFWFLSA-N -1 3 383.492 3.633 20 0 GHADHM O=C([C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452727899 1060995000 /nfs/dbraw/zinc/99/50/00/1060995000.db2.gz OWKWGCPDBHZTBF-JXFKEZNVSA-N -1 3 381.863 3.917 20 0 GHADHM CSc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)ccc1C ZINC001452742958 1060998963 /nfs/dbraw/zinc/99/89/63/1060998963.db2.gz HCPGOOXUIILGCC-UHFFFAOYSA-N -1 3 394.500 3.742 20 0 GHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ncsc1Nc1cccnc1 ZINC001452986186 1061058547 /nfs/dbraw/zinc/05/85/47/1061058547.db2.gz XBQOBANEDWOWIT-UHFFFAOYSA-N -1 3 394.485 3.976 20 0 GHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)s1 ZINC001453137513 1061081547 /nfs/dbraw/zinc/08/15/47/1061081547.db2.gz XOOFUFWMKGQGSV-UHFFFAOYSA-N -1 3 394.384 3.728 20 0 GHADHM Cc1nc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2ccccc2)cc(=O)[n-]1 ZINC001342184833 1061115791 /nfs/dbraw/zinc/11/57/91/1061115791.db2.gz XGHZRBFFSCYAPE-QGZVFWFLSA-N -1 3 390.491 3.590 20 0 GHADHM CC1(C)CCCC[C@H]1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001346286549 1061497918 /nfs/dbraw/zinc/49/79/18/1061497918.db2.gz BADRYFSBJXPCDZ-CVDCTZTESA-N -1 3 386.536 3.829 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454410508 1061769436 /nfs/dbraw/zinc/76/94/36/1061769436.db2.gz IBZGXCNTIDVMTG-GHMZBOCLSA-N -1 3 378.274 3.784 20 0 GHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454410508 1061769455 /nfs/dbraw/zinc/76/94/55/1061769455.db2.gz IBZGXCNTIDVMTG-GHMZBOCLSA-N -1 3 378.274 3.784 20 0 GHADHM CC(C)(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)N1CCCC1 ZINC001454599194 1061872377 /nfs/dbraw/zinc/87/23/77/1061872377.db2.gz SITKUNGXZCRZRI-UHFFFAOYSA-N -1 3 394.515 3.556 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC001454715776 1061919762 /nfs/dbraw/zinc/91/97/62/1061919762.db2.gz UPLBNUSEHRGFQU-AWEZNQCLSA-N -1 3 398.459 3.757 20 0 GHADHM Cc1cccc([C@@H]2CCCN2c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)c1 ZINC001346972992 1062019401 /nfs/dbraw/zinc/01/94/01/1062019401.db2.gz ARUMKIQCSLFMMC-IBGZPJMESA-N -1 3 390.491 3.809 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC001435228636 1062403654 /nfs/dbraw/zinc/40/36/54/1062403654.db2.gz HUWJESDJFSZXBO-INIZCTEOSA-N -1 3 378.806 3.662 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3cccs3)c2)[n-]n1 ZINC001456339518 1062624865 /nfs/dbraw/zinc/62/48/65/1062624865.db2.gz XCAFMFAWSPLIFG-UHFFFAOYSA-N -1 3 385.445 3.868 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3cccs3)c2)n[n-]1 ZINC001456339518 1062624873 /nfs/dbraw/zinc/62/48/73/1062624873.db2.gz XCAFMFAWSPLIFG-UHFFFAOYSA-N -1 3 385.445 3.868 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)[n-]n1 ZINC001456339520 1062624918 /nfs/dbraw/zinc/62/49/18/1062624918.db2.gz XCLBQPIJUMGRKG-MRXNPFEDSA-N -1 3 379.844 3.670 20 0 GHADHM CC(C)OC(=O)c1cc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n[n-]1 ZINC001456339520 1062624931 /nfs/dbraw/zinc/62/49/31/1062624931.db2.gz XCLBQPIJUMGRKG-MRXNPFEDSA-N -1 3 379.844 3.670 20 0 GHADHM [O-]c1c(Cl)cccc1CCc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC001347756797 1062630799 /nfs/dbraw/zinc/63/07/99/1062630799.db2.gz KLYCHMQSKBSZEE-MRXNPFEDSA-N -1 3 390.915 3.592 20 0 GHADHM C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001456377242 1062647584 /nfs/dbraw/zinc/64/75/84/1062647584.db2.gz BBLRPHKJSNHUOG-YFKPBYRVSA-N -1 3 386.683 3.987 20 0 GHADHM COc1cccc(F)c1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001456474974 1062704442 /nfs/dbraw/zinc/70/44/42/1062704442.db2.gz MYKVVGSATIXCTM-UHFFFAOYSA-N -1 3 381.429 3.568 20 0 GHADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cnc(Cl)cc1C(F)(F)F ZINC001435594361 1062763470 /nfs/dbraw/zinc/76/34/70/1062763470.db2.gz FZIAFWBLOXNZQS-UHFFFAOYSA-N -1 3 385.758 3.920 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001456613711 1062782793 /nfs/dbraw/zinc/78/27/93/1062782793.db2.gz AINOFNHYQNSCAR-ZIAGYGMSSA-N -1 3 394.537 3.737 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1nccc2ccsc21 ZINC001456799551 1062863632 /nfs/dbraw/zinc/86/36/32/1062863632.db2.gz PRXNTOBEIPTJKQ-UHFFFAOYSA-N -1 3 378.413 3.629 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1nccc2ccsc21 ZINC001456799551 1062863691 /nfs/dbraw/zinc/86/36/91/1062863691.db2.gz PRXNTOBEIPTJKQ-UHFFFAOYSA-N -1 3 378.413 3.629 20 0 GHADHM COc1ccc(CN(C(=O)c2c[n-]c3ccccc3c2=O)c2ccncc2)cc1 ZINC001456845395 1062890804 /nfs/dbraw/zinc/89/08/04/1062890804.db2.gz ZGABNPICFIOWDR-UHFFFAOYSA-N -1 3 385.423 3.779 20 0 GHADHM Cc1nc(-c2nnc(N3CC[C@H](C)[C@@H]3c3ccccc3)n2CC2CC2)cc(=O)[n-]1 ZINC001348177181 1062945719 /nfs/dbraw/zinc/94/57/19/1062945719.db2.gz BACRTYZNPMBBER-VBKZILBWSA-N -1 3 390.491 3.747 20 0 GHADHM O=C(CCCOc1ccccc1Br)[N-]OCCOc1ccccc1 ZINC001457105772 1062978481 /nfs/dbraw/zinc/97/84/81/1062978481.db2.gz KTCUIYYCHKGXDB-UHFFFAOYSA-N -1 3 394.265 3.735 20 0 GHADHM COc1ccccc1CCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457163222 1062994127 /nfs/dbraw/zinc/99/41/27/1062994127.db2.gz RRENVKZQKCLHHH-UHFFFAOYSA-N -1 3 382.489 3.985 20 0 GHADHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c(C)o1 ZINC001435938681 1063014367 /nfs/dbraw/zinc/01/43/67/1063014367.db2.gz XYTHOFKWLUDFAL-UHFFFAOYSA-N -1 3 395.799 3.938 20 0 GHADHM CC(C)(C)c1ccc(C2(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CCC2)cc1 ZINC001457604743 1063273285 /nfs/dbraw/zinc/27/32/85/1063273285.db2.gz IBZBZGXWGSJICX-UHFFFAOYSA-N -1 3 390.483 3.719 20 0 GHADHM NC(=O)c1sccc1[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001457611349 1063276360 /nfs/dbraw/zinc/27/63/60/1063276360.db2.gz ITTSLXIJDUYORC-UHFFFAOYSA-N -1 3 392.234 3.517 20 0 GHADHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1conc1COC ZINC001348740775 1063304280 /nfs/dbraw/zinc/30/42/80/1063304280.db2.gz JJRASECJNYOQCH-UHFFFAOYSA-N -1 3 386.429 3.979 20 0 GHADHM COC(=O)c1[n-]cnc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC001436229053 1063309448 /nfs/dbraw/zinc/30/94/48/1063309448.db2.gz XJCXRRNNTUYGFL-UHFFFAOYSA-N -1 3 376.825 3.534 20 0 GHADHM COC(=O)c1nc[n-]c1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC001436229053 1063309472 /nfs/dbraw/zinc/30/94/72/1063309472.db2.gz XJCXRRNNTUYGFL-UHFFFAOYSA-N -1 3 376.825 3.534 20 0 GHADHM CCCCOc1ccc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC001457746401 1063342229 /nfs/dbraw/zinc/34/22/29/1063342229.db2.gz PSTRXTJCOQBDKA-SIKLNZKXSA-N -1 3 387.451 3.606 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Br)c(Cl)c1 ZINC001436648123 1063592987 /nfs/dbraw/zinc/59/29/87/1063592987.db2.gz FXNCLFJBZMIEEL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Br)c(Cl)c1 ZINC001436648123 1063593011 /nfs/dbraw/zinc/59/30/11/1063593011.db2.gz FXNCLFJBZMIEEL-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCOC(=O)c1sc([N-]C(=O)c2cnc(C3CC3)o2)c(C(=O)OCC)c1C ZINC001349236138 1063607425 /nfs/dbraw/zinc/60/74/25/1063607425.db2.gz YZPGDCRIISFLCG-UHFFFAOYSA-N -1 3 392.433 3.528 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c1 ZINC001349356518 1063675781 /nfs/dbraw/zinc/67/57/81/1063675781.db2.gz VDPDVLRNJTUPGO-UHFFFAOYSA-N -1 3 395.459 3.504 20 0 GHADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1csc(C(=O)OC)n1 ZINC001349512208 1063761574 /nfs/dbraw/zinc/76/15/74/1063761574.db2.gz BNAXTSMFPUFCIG-UHFFFAOYSA-N -1 3 390.442 3.573 20 0 GHADHM C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)[C@@H]1C ZINC001458528965 1063869258 /nfs/dbraw/zinc/86/92/58/1063869258.db2.gz ZBUXOLVZOZNNIC-XJKCOSOUSA-N -1 3 385.501 3.884 20 0 GHADHM CC(C)Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001349873058 1063931950 /nfs/dbraw/zinc/93/19/50/1063931950.db2.gz FMVXICDZTVBFHO-XMMPIXPASA-N -1 3 394.515 3.734 20 0 GHADHM CCCCc1nc(NC(=O)c2cccc(-n3cccc3)c2)c(C(=O)OCC)[n-]1 ZINC001458955593 1063968187 /nfs/dbraw/zinc/96/81/87/1063968187.db2.gz OZSAAIYQCCBHNA-UHFFFAOYSA-N -1 3 380.448 3.972 20 0 GHADHM Cc1cc(C(=O)[N-]c2c(C)onc2OC(F)F)nn1-c1ccc(Cl)cc1 ZINC001458985322 1063974740 /nfs/dbraw/zinc/97/47/40/1063974740.db2.gz AQPLYKWNSQHYRD-UHFFFAOYSA-N -1 3 382.754 3.984 20 0 GHADHM CCn1nc(C)c(C(=O)[N-]c2nnc(-c3c(Cl)cccc3Cl)s2)n1 ZINC001438233368 1064013892 /nfs/dbraw/zinc/01/38/92/1064013892.db2.gz UCMXXYFLLCWVBG-UHFFFAOYSA-N -1 3 383.264 3.684 20 0 GHADHM O=c1[n-]c(SCc2ccncc2Cl)nc2c1cnn2Cc1ccccc1 ZINC001459179561 1064014946 /nfs/dbraw/zinc/01/49/46/1064014946.db2.gz MEFCTVDBZHTTJR-UHFFFAOYSA-N -1 3 383.864 3.921 20 0 GHADHM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C(=O)c2cccnc2)CCC3)s1 ZINC001459262841 1064040786 /nfs/dbraw/zinc/04/07/86/1064040786.db2.gz JZVGFVPWTRDFLY-UHFFFAOYSA-N -1 3 397.481 3.774 20 0 GHADHM Cc1nc(-c2nnc(N3CCC[C@@H]3C3CCCCC3)n2CC2CC2)cc(=O)[n-]1 ZINC001350537998 1064118378 /nfs/dbraw/zinc/11/83/78/1064118378.db2.gz PPDGNJJTTWVXAP-GOSISDBHSA-N -1 3 382.512 3.708 20 0 GHADHM C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001459562665 1064128474 /nfs/dbraw/zinc/12/84/74/1064128474.db2.gz OOABLQHDSSVGGB-OAHLLOKOSA-N -1 3 398.894 3.974 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC001350751301 1064180520 /nfs/dbraw/zinc/18/05/20/1064180520.db2.gz QHOSXHXAPLJELK-IBGZPJMESA-N -1 3 375.465 3.839 20 0 GHADHM COCc1cnc([N-]C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)s1 ZINC001459940949 1064289743 /nfs/dbraw/zinc/28/97/43/1064289743.db2.gz DVKWVXWANPXPAX-UHFFFAOYSA-N -1 3 379.825 3.859 20 0 GHADHM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1ccc(C(F)(F)F)nc1Cl ZINC001463532688 1064441428 /nfs/dbraw/zinc/44/14/28/1064441428.db2.gz YKTMIOKQRHKFFP-UHFFFAOYSA-N -1 3 389.786 3.714 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC001463592467 1064487466 /nfs/dbraw/zinc/48/74/66/1064487466.db2.gz SXPUECMXLUNBRN-UHFFFAOYSA-N -1 3 395.278 3.613 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)c1 ZINC001463788297 1064619538 /nfs/dbraw/zinc/61/95/38/1064619538.db2.gz CGROXMCADGYISC-QGZVFWFLSA-N -1 3 383.485 3.784 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c(Cl)cccc1Cl ZINC001464048143 1064788348 /nfs/dbraw/zinc/78/83/48/1064788348.db2.gz ASTWMRVAPMKCBU-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM COc1cccc([O-])c1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC001464083934 1064808800 /nfs/dbraw/zinc/80/88/00/1064808800.db2.gz BTORLVGEOCHSAE-UHFFFAOYSA-N -1 3 388.467 3.894 20 0 GHADHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001464274554 1064937419 /nfs/dbraw/zinc/93/74/19/1064937419.db2.gz QZJCLDMDSRAFGU-KSSFIOAISA-N -1 3 396.915 3.668 20 0 GHADHM O=C(NCCSCc1cccc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC001464457041 1065022166 /nfs/dbraw/zinc/02/21/66/1065022166.db2.gz LCWJULYZDDRPPI-UHFFFAOYSA-N -1 3 380.448 3.913 20 0 GHADHM CC(C)[C@H](CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC001300044229 1065106860 /nfs/dbraw/zinc/10/68/60/1065106860.db2.gz ZJFWFWUEKQYQDQ-XIRDDKMYSA-N -1 3 384.442 3.874 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCC2(CCC2)O1)c1csnc1-c1ccccc1 ZINC001464618835 1065113651 /nfs/dbraw/zinc/11/36/51/1065113651.db2.gz ISQHQWPGSGSNPZ-OAHLLOKOSA-N -1 3 378.519 3.580 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464623244 1065117376 /nfs/dbraw/zinc/11/73/76/1065117376.db2.gz OYTQWCWSRVDQLL-LLVKDONJSA-N -1 3 391.353 3.583 20 0 GHADHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464623244 1065117383 /nfs/dbraw/zinc/11/73/83/1065117383.db2.gz OYTQWCWSRVDQLL-LLVKDONJSA-N -1 3 391.353 3.583 20 0 GHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCS1 ZINC001464720342 1065175337 /nfs/dbraw/zinc/17/53/37/1065175337.db2.gz KWDLVLXZYQADNF-BDAKNGLRSA-N -1 3 384.748 3.665 20 0 GHADHM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC2(CC1)OCCO2 ZINC001464722197 1065175971 /nfs/dbraw/zinc/17/59/71/1065175971.db2.gz OORMSFKUOWUVCZ-UHFFFAOYSA-N -1 3 394.320 3.595 20 0 GHADHM O=S(=O)([N-]CCCOc1cccc(F)c1)c1cnc(-c2ccccc2)s1 ZINC001464767403 1065200219 /nfs/dbraw/zinc/20/02/19/1065200219.db2.gz SKMSYQAJCKOUKL-UHFFFAOYSA-N -1 3 392.477 3.697 20 0 GHADHM CCOc1cc(C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)n[n-]1 ZINC001464827466 1065232040 /nfs/dbraw/zinc/23/20/40/1065232040.db2.gz XCIHIUQTHGRXLS-UHFFFAOYSA-N -1 3 397.287 3.768 20 0 GHADHM CCOc1cc(C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)[n-]n1 ZINC001464827466 1065232053 /nfs/dbraw/zinc/23/20/53/1065232053.db2.gz XCIHIUQTHGRXLS-UHFFFAOYSA-N -1 3 397.287 3.768 20 0 GHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc(-n2cccn2)cc1 ZINC001465450177 1065625654 /nfs/dbraw/zinc/62/56/54/1065625654.db2.gz XFYFUSRFVMBDQA-GFCCVEGCSA-N -1 3 386.249 3.831 20 0 GHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000847721730 1065979206 /nfs/dbraw/zinc/97/92/06/1065979206.db2.gz ZZGVDOIKZRQZFB-CYBMUJFWSA-N -1 3 377.366 3.708 20 0 GHADHM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001466498050 1066172763 /nfs/dbraw/zinc/17/27/63/1066172763.db2.gz VPZMCVWTTKFXJM-MRXNPFEDSA-N -1 3 388.345 3.589 20 0 GHADHM CC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1C ZINC001466962100 1066415387 /nfs/dbraw/zinc/41/53/87/1066415387.db2.gz XKLSMPHJKLROKW-UHFFFAOYSA-N -1 3 377.238 3.987 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3ccc4c(c3)CCC4)nc21 ZINC001357294027 1067035543 /nfs/dbraw/zinc/03/55/43/1067035543.db2.gz CRHWEUUTBDEAKA-UHFFFAOYSA-N -1 3 381.457 3.569 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001467197134 1067143715 /nfs/dbraw/zinc/14/37/15/1067143715.db2.gz BEZBVIUTPBLXGV-MUWHJKNJSA-N -1 3 397.735 3.844 20 0 GHADHM O=C([N-]c1nc2cc[nH]cc-2n1)c1cc(-c2ccc(Br)cc2)no1 ZINC001358191281 1067434153 /nfs/dbraw/zinc/43/41/53/1067434153.db2.gz KBDMDHNOACKOLI-UHFFFAOYSA-N -1 3 384.193 3.628 20 0 GHADHM CCCc1ccc(CCCC(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC001467874645 1067510633 /nfs/dbraw/zinc/51/06/33/1067510633.db2.gz QIMQOZDJKFYLJT-DLBZAZTESA-N -1 3 397.519 3.842 20 0 GHADHM Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000615137223 1067579502 /nfs/dbraw/zinc/57/95/02/1067579502.db2.gz BQBNIEIGOSHYMP-IBGZPJMESA-N -1 3 392.459 3.519 20 0 GHADHM CCOC(=O)c1ccc(-c2ccc(C[N-]c3nc(-c4nccn4C)no3)o2)cc1 ZINC000615133168 1067579752 /nfs/dbraw/zinc/57/97/52/1067579752.db2.gz WNGHABJVNBBUOU-UHFFFAOYSA-N -1 3 393.403 3.519 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)c1 ZINC001468762386 1067866665 /nfs/dbraw/zinc/86/66/65/1067866665.db2.gz PRCIUOYKGQHKGL-UHFFFAOYSA-N -1 3 390.480 3.515 20 0 GHADHM O=C(NC/C=C\c1ccc(Br)cc1)NCc1ccc([O-])c(F)c1 ZINC001477988982 1078659728 /nfs/dbraw/zinc/65/97/28/1078659728.db2.gz GUODCDPLIPIKAE-UPHRSURJSA-N -1 3 379.229 3.806 20 0 GHADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001469761764 1068367558 /nfs/dbraw/zinc/36/75/58/1068367558.db2.gz RDBIBZJXLDFCKX-HUUCEWRRSA-N -1 3 395.322 3.695 20 0 GHADHM COc1ccc(F)c(OC)c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC001360121886 1068373874 /nfs/dbraw/zinc/37/38/74/1068373874.db2.gz MMCMVYVUUMZFIA-UHFFFAOYSA-N -1 3 391.399 3.677 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001546179606 1068666846 /nfs/dbraw/zinc/66/68/46/1068666846.db2.gz QZVFOLIQVAKEOP-LJQANCHMSA-N -1 3 396.462 3.712 20 0 GHADHM COc1cc(C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C)cc(OC)c1[O-] ZINC001470382361 1068713038 /nfs/dbraw/zinc/71/30/38/1068713038.db2.gz LFZVVKSFRZNBIV-AWEZNQCLSA-N -1 3 395.496 3.533 20 0 GHADHM C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001460719862 1069120872 /nfs/dbraw/zinc/12/08/72/1069120872.db2.gz FPMKHNYEWKQDOM-SECBINFHSA-N -1 3 393.274 3.709 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001470496027 1072592183 /nfs/dbraw/zinc/59/21/83/1072592183.db2.gz BKSGTNZPKIPUHQ-XCLFUZPHSA-N -1 3 392.521 3.634 20 0 GHADHM CN(Cc1ccc(Br)cc1F)C(=O)c1nnc2ccccc2c1[O-] ZINC001470901684 1072801108 /nfs/dbraw/zinc/80/11/08/1072801108.db2.gz VUBGJVLBLQUOPW-UHFFFAOYSA-N -1 3 390.212 3.509 20 0 GHADHM CNc1nc(C(=O)[N-]c2nnc(-c3cccc(C(F)(F)F)c3)s2)cs1 ZINC001470986637 1072868459 /nfs/dbraw/zinc/86/84/59/1072868459.db2.gz UXOAQTDOBMXZMZ-UHFFFAOYSA-N -1 3 385.396 3.974 20 0 GHADHM O=C(NCc1cc(=O)c2ccccc2[nH]1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001471368070 1073041330 /nfs/dbraw/zinc/04/13/30/1073041330.db2.gz UBYBTFQKPXPOFH-UHFFFAOYSA-N -1 3 398.462 3.949 20 0 GHADHM CCC(C)(C)[C@@H](C)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001478963749 1079041839 /nfs/dbraw/zinc/04/18/39/1079041839.db2.gz ZPQIAXPSKUASMQ-TZMCWYRMSA-N -1 3 385.430 3.631 20 0 GHADHM C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109458 1073336672 /nfs/dbraw/zinc/33/66/72/1073336672.db2.gz OSZHUKYSJJENKA-MRVPVSSYSA-N -1 3 380.292 3.652 20 0 GHADHM C[C@H](NC(=O)C=Cc1csc(C(F)(F)F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110595 1073337178 /nfs/dbraw/zinc/33/71/78/1073337178.db2.gz JBLHWCIYCSEUFN-GFNSNHMOSA-N -1 3 384.305 3.794 20 0 GHADHM C[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001472109765 1073337283 /nfs/dbraw/zinc/33/72/83/1073337283.db2.gz WFYKIQSUEDYDSY-QMMMGPOBSA-N -1 3 392.303 3.751 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(cccc2N(C)C)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112212 1073337893 /nfs/dbraw/zinc/33/78/93/1073337893.db2.gz YIAZNXIFSMHNAA-MRVPVSSYSA-N -1 3 383.399 3.595 20 0 GHADHM Cc1ccc([S@](C)(=O)=NC(=O)c2c[n-]cc3nc(C(F)(F)F)nc2-3)cc1 ZINC001472145300 1073345957 /nfs/dbraw/zinc/34/59/57/1073345957.db2.gz DBVNKOPMTNVKEV-SANMLTNESA-N -1 3 382.367 3.582 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)c([O-])c(OC)c1 ZINC001472228191 1073376160 /nfs/dbraw/zinc/37/61/60/1073376160.db2.gz IHDYBVDUOYZCIZ-UHFFFAOYSA-N -1 3 385.416 3.761 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1CCCc2sccc21 ZINC001472241595 1073379934 /nfs/dbraw/zinc/37/99/34/1073379934.db2.gz STQZMPWMMWQQAA-HNNXBMFYSA-N -1 3 381.457 3.887 20 0 GHADHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[C@H]1CCCc2sccc21 ZINC001472241595 1073379942 /nfs/dbraw/zinc/37/99/42/1073379942.db2.gz STQZMPWMMWQQAA-HNNXBMFYSA-N -1 3 381.457 3.887 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)c21 ZINC001472241978 1073380610 /nfs/dbraw/zinc/38/06/10/1073380610.db2.gz YVUIBPRJNMIYKC-UHFFFAOYSA-N -1 3 388.427 3.738 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)c21 ZINC001472241978 1073380614 /nfs/dbraw/zinc/38/06/14/1073380614.db2.gz YVUIBPRJNMIYKC-UHFFFAOYSA-N -1 3 388.427 3.738 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3ccc(NC4CC4)nc3)n[n-]2)cc1 ZINC001472355210 1073441764 /nfs/dbraw/zinc/44/17/64/1073441764.db2.gz BEMMNQNJRQDRJE-UHFFFAOYSA-N -1 3 380.477 3.627 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)c3c[nH]c(=O)c4ccccc34)n[n-]2)cc1 ZINC001472357087 1073443180 /nfs/dbraw/zinc/44/31/80/1073443180.db2.gz CYZQVRFODCYVEC-UHFFFAOYSA-N -1 3 391.456 3.912 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)C(F)(F)c3ncccc3C)n[n-]2)cc1 ZINC001472357684 1073443910 /nfs/dbraw/zinc/44/39/10/1073443910.db2.gz REHACFMKHPCMNV-UHFFFAOYSA-N -1 3 389.431 3.839 20 0 GHADHM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001472412583 1073474106 /nfs/dbraw/zinc/47/41/06/1073474106.db2.gz IJSQKSUTZZVOHU-TZMCWYRMSA-N -1 3 389.293 3.847 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2cc3ccnc(Cl)c3s2)n[nH]1 ZINC001472487966 1073507975 /nfs/dbraw/zinc/50/79/75/1073507975.db2.gz XEKYVSYLXGAZBH-UHFFFAOYSA-N -1 3 385.836 3.996 20 0 GHADHM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472504991 1073519190 /nfs/dbraw/zinc/51/91/90/1073519190.db2.gz MRPPXZKZGLZWOB-FQEVSTJZSA-N -1 3 391.377 3.721 20 0 GHADHM Cc1cc(C)c(CN2Cc3nc(C)[n-]c(=O)c3C2)c(OCc2ccccc2)n1 ZINC001473689695 1074088675 /nfs/dbraw/zinc/08/86/75/1074088675.db2.gz LQFNUWRBMUFKTK-UHFFFAOYSA-N -1 3 376.460 3.597 20 0 GHADHM [O-]c1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1F ZINC001474707835 1074527349 /nfs/dbraw/zinc/52/73/49/1074527349.db2.gz IYEJRXGAIFWPAU-HUUCEWRRSA-N -1 3 386.364 3.823 20 0 GHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cscc2Br)o1 ZINC001474853678 1074594177 /nfs/dbraw/zinc/59/41/77/1074594177.db2.gz YTVVSSLORFBWCN-WPRPVWTQSA-N -1 3 376.297 3.706 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-]CCOc2ccccc2-c2ccccc2)s1 ZINC001474885439 1074612198 /nfs/dbraw/zinc/61/21/98/1074612198.db2.gz UZSMMESBVDEKPO-UHFFFAOYSA-N -1 3 388.514 3.730 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc(F)cc1 ZINC001474905490 1074625680 /nfs/dbraw/zinc/62/56/80/1074625680.db2.gz IPHBVQXWEGMVLL-VIFPVBQESA-N -1 3 396.793 3.975 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)cc1F ZINC001474925837 1074635223 /nfs/dbraw/zinc/63/52/23/1074635223.db2.gz HWSYBLWTCBHMSZ-UHFFFAOYSA-N -1 3 387.835 3.637 20 0 GHADHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1(C)C ZINC001475014869 1074684093 /nfs/dbraw/zinc/68/40/93/1074684093.db2.gz WHPILTAMEAENQW-OCCSQVGLSA-N -1 3 385.835 3.841 20 0 GHADHM CC[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Oc1ccccc1C ZINC001475029462 1074694683 /nfs/dbraw/zinc/69/46/83/1074694683.db2.gz SFXVZIXGQOOCHW-GFCCVEGCSA-N -1 3 389.304 3.833 20 0 GHADHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccc(Cl)cc1 ZINC001475039843 1074703661 /nfs/dbraw/zinc/70/36/61/1074703661.db2.gz AYTGUYHCPPKOJY-INIZCTEOSA-N -1 3 396.871 3.807 20 0 GHADHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)c1ccc(Cl)cc1 ZINC001475039846 1074704247 /nfs/dbraw/zinc/70/42/47/1074704247.db2.gz AYTGUYHCPPKOJY-MRXNPFEDSA-N -1 3 396.871 3.807 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1c(C)noc1C ZINC001475113879 1074742180 /nfs/dbraw/zinc/74/21/80/1074742180.db2.gz XESYWWGEYONEMY-NSHDSACASA-N -1 3 385.898 3.984 20 0 GHADHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001475123816 1074747400 /nfs/dbraw/zinc/74/74/00/1074747400.db2.gz SOWODNBCKNEUMV-UHFFFAOYSA-N -1 3 395.695 3.919 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)c1ccc2ccccc2c1 ZINC001475128357 1074749325 /nfs/dbraw/zinc/74/93/25/1074749325.db2.gz QDUGMRBCXOWMTG-FQEVSTJZSA-N -1 3 389.517 3.944 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)(C)C)CC2)c(F)c1 ZINC001475203405 1074783276 /nfs/dbraw/zinc/78/32/76/1074783276.db2.gz RNLFHSZNLJRGHT-CABCVRRESA-N -1 3 385.501 3.886 20 0 GHADHM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CCCCC1 ZINC001475212656 1074788322 /nfs/dbraw/zinc/78/83/22/1074788322.db2.gz WUSJNXOGVQDGHP-DPOKWSEZSA-N -1 3 398.594 3.663 20 0 GHADHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1(F)F ZINC001475525231 1074904632 /nfs/dbraw/zinc/90/46/32/1074904632.db2.gz MSJVLBGDTASIPM-JTQLQIEISA-N -1 3 388.661 3.672 20 0 GHADHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)c1ccc2ccccc2c1 ZINC001475546638 1074910536 /nfs/dbraw/zinc/91/05/36/1074910536.db2.gz WAPLSXGGVHDKIF-XMMPIXPASA-N -1 3 382.551 3.806 20 0 GHADHM CC(C)OC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC001475646092 1074992002 /nfs/dbraw/zinc/99/20/02/1074992002.db2.gz RHWQSEZVZFAPCI-UHFFFAOYSA-N -1 3 396.734 3.729 20 0 GHADHM CCc1noc([C@@H]2CC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC001475750570 1075014646 /nfs/dbraw/zinc/01/46/46/1075014646.db2.gz JYPIGNWIRWTOIU-KOLCDFICSA-N -1 3 390.292 3.553 20 0 GHADHM O=S(=O)([N-][C@H]1CCOC12CCCC2)c1ccc(Cl)cc1C(F)(F)F ZINC001475766158 1075017068 /nfs/dbraw/zinc/01/70/68/1075017068.db2.gz NWEMGESJAXEPMT-ZDUSSCGKSA-N -1 3 383.819 3.739 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)C2=CCOCC2)c(-c2ccccc2)s1 ZINC001475789459 1075022335 /nfs/dbraw/zinc/02/23/35/1075022335.db2.gz WPMCCQPXXXPQND-UHFFFAOYSA-N -1 3 392.546 3.770 20 0 GHADHM O=S(=O)([N-]C[C@@H]1C[C@@H]1C1CCCC1)c1cccc(Br)c1F ZINC001475797860 1075023984 /nfs/dbraw/zinc/02/39/84/1075023984.db2.gz CQYLBOWJCWWZJY-NWDGAFQWSA-N -1 3 376.291 3.693 20 0 GHADHM C[C@@](Cc1ccc(Cl)cc1)(NCc1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001592839732 1126217234 /nfs/dbraw/zinc/21/72/34/1126217234.db2.gz HQROOFNRGSLSIJ-AWEZNQCLSA-N -1 3 378.803 3.991 20 0 GHADHM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1ccn(C2CCCC2)n1 ZINC001601660891 1126225000 /nfs/dbraw/zinc/22/50/00/1126225000.db2.gz ZPKYSEOMBOZTPJ-QGZVFWFLSA-N -1 3 397.397 3.682 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc2)nc1 ZINC000737366566 598823368 /nfs/dbraw/zinc/82/33/68/598823368.db2.gz SUQFDHFSISREIA-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM Cc1ccc(Oc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc2)nc1 ZINC000737366566 598823369 /nfs/dbraw/zinc/82/33/69/598823369.db2.gz SUQFDHFSISREIA-UHFFFAOYSA-N -1 3 378.417 3.676 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737954639 598829835 /nfs/dbraw/zinc/82/98/35/598829835.db2.gz NYPAUOLNKYQTKX-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737954639 598829838 /nfs/dbraw/zinc/82/98/38/598829838.db2.gz NYPAUOLNKYQTKX-UHFFFAOYSA-N -1 3 387.230 3.836 20 0 GHADHM Cc1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)ccc1F ZINC000737236616 598836349 /nfs/dbraw/zinc/83/63/49/598836349.db2.gz PBHOVAAVLWTTKD-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1OCCC(C)C ZINC000737355915 598839037 /nfs/dbraw/zinc/83/90/37/598839037.db2.gz BJRWNDHQYSTRTN-UHFFFAOYSA-N -1 3 395.463 3.618 20 0 GHADHM Cc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1OCCC(C)C ZINC000737355915 598839039 /nfs/dbraw/zinc/83/90/39/598839039.db2.gz BJRWNDHQYSTRTN-UHFFFAOYSA-N -1 3 395.463 3.618 20 0 GHADHM CC(C)(C)CCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735602356 598847964 /nfs/dbraw/zinc/84/79/64/598847964.db2.gz MVMXJNMEEWUYSJ-UHFFFAOYSA-N -1 3 380.452 3.610 20 0 GHADHM CC(C)(C)CCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735602356 598847965 /nfs/dbraw/zinc/84/79/65/598847965.db2.gz MVMXJNMEEWUYSJ-UHFFFAOYSA-N -1 3 380.452 3.610 20 0 GHADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736804142 598851074 /nfs/dbraw/zinc/85/10/74/598851074.db2.gz IGZHSRFYEZKZMF-UHFFFAOYSA-N -1 3 391.262 3.880 20 0 GHADHM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736804142 598851076 /nfs/dbraw/zinc/85/10/76/598851076.db2.gz IGZHSRFYEZKZMF-UHFFFAOYSA-N -1 3 391.262 3.880 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCC1 ZINC000736122989 598865238 /nfs/dbraw/zinc/86/52/38/598865238.db2.gz NDBHYNMFUNHMCV-CQSZACIVSA-N -1 3 377.448 3.968 20 0 GHADHM C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000736122989 598865240 /nfs/dbraw/zinc/86/52/40/598865240.db2.gz NDBHYNMFUNHMCV-CQSZACIVSA-N -1 3 377.448 3.968 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)s2)cc1 ZINC000737055317 598871920 /nfs/dbraw/zinc/87/19/20/598871920.db2.gz DNWSHTMLJYXONX-NSHDSACASA-N -1 3 393.476 3.875 20 0 GHADHM COc1ccc(-c2nc(C)c([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)s2)cc1 ZINC000737055317 598871922 /nfs/dbraw/zinc/87/19/22/598871922.db2.gz DNWSHTMLJYXONX-NSHDSACASA-N -1 3 393.476 3.875 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1Br ZINC000736817497 598872070 /nfs/dbraw/zinc/87/20/70/598872070.db2.gz BDAMCENGZOIQRF-UHFFFAOYSA-N -1 3 392.688 3.915 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1Br ZINC000736817497 598872071 /nfs/dbraw/zinc/87/20/71/598872071.db2.gz BDAMCENGZOIQRF-UHFFFAOYSA-N -1 3 392.688 3.915 20 0 GHADHM CC[C@H](C)[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736332558 598890539 /nfs/dbraw/zinc/89/05/39/598890539.db2.gz RNSOZAYZOGYYJO-STQMWFEESA-N -1 3 384.509 3.829 20 0 GHADHM CCCCCCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736446632 598901797 /nfs/dbraw/zinc/90/17/97/598901797.db2.gz KVEVEMAOLWMTKH-UHFFFAOYSA-N -1 3 396.520 3.717 20 0 GHADHM CCCCCCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736446632 598901799 /nfs/dbraw/zinc/90/17/99/598901799.db2.gz KVEVEMAOLWMTKH-UHFFFAOYSA-N -1 3 396.520 3.717 20 0 GHADHM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000735587298 598903812 /nfs/dbraw/zinc/90/38/12/598903812.db2.gz SUKNJIOYNXNYRM-UHFFFAOYSA-N -1 3 399.838 3.866 20 0 GHADHM CCC[C@@H](C)N(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736425248 598906343 /nfs/dbraw/zinc/90/63/43/598906343.db2.gz UNFRFKNGOIWACI-CYBMUJFWSA-N -1 3 384.509 3.925 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736686165 598906534 /nfs/dbraw/zinc/90/65/34/598906534.db2.gz OGJFGSWZLXWDRR-GOSISDBHSA-N -1 3 394.479 3.849 20 0 GHADHM CCc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736686165 598906535 /nfs/dbraw/zinc/90/65/35/598906535.db2.gz OGJFGSWZLXWDRR-GOSISDBHSA-N -1 3 394.479 3.849 20 0 GHADHM Cc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1OCCC(C)C ZINC000737359945 598907154 /nfs/dbraw/zinc/90/71/54/598907154.db2.gz IWOMYXDKYCNAHE-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM Cc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1OCCC(C)C ZINC000737359945 598907155 /nfs/dbraw/zinc/90/71/55/598907155.db2.gz IWOMYXDKYCNAHE-UHFFFAOYSA-N -1 3 394.479 3.922 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737803443 598910960 /nfs/dbraw/zinc/91/09/60/598910960.db2.gz SRAQMDCNMHVKNO-ZHACJKMWSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccnc(Oc2ccccc2)c1 ZINC000737803443 598910962 /nfs/dbraw/zinc/91/09/62/598910962.db2.gz SRAQMDCNMHVKNO-ZHACJKMWSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000737855085 598913397 /nfs/dbraw/zinc/91/33/97/598913397.db2.gz YZWAXYAHABLGGD-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000737855085 598913399 /nfs/dbraw/zinc/91/33/99/598913399.db2.gz YZWAXYAHABLGGD-UHFFFAOYSA-N -1 3 376.445 3.562 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1coc2ccccc12 ZINC000736482342 598922105 /nfs/dbraw/zinc/92/21/05/598922105.db2.gz ZQVTYHFKSISVHC-UHFFFAOYSA-N -1 3 390.447 3.735 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1coc2ccccc12 ZINC000736482342 598922107 /nfs/dbraw/zinc/92/21/07/598922107.db2.gz ZQVTYHFKSISVHC-UHFFFAOYSA-N -1 3 390.447 3.735 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000735873467 598924089 /nfs/dbraw/zinc/92/40/89/598924089.db2.gz AQPHWFRNBBEPRX-UHFFFAOYSA-N -1 3 398.536 3.826 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000735873467 598924090 /nfs/dbraw/zinc/92/40/90/598924090.db2.gz AQPHWFRNBBEPRX-UHFFFAOYSA-N -1 3 398.536 3.826 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736271027 598925632 /nfs/dbraw/zinc/92/56/32/598925632.db2.gz LXRMQJGPEQMNHH-DNVCBOLYSA-N -1 3 391.475 3.754 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736271027 598925634 /nfs/dbraw/zinc/92/56/34/598925634.db2.gz LXRMQJGPEQMNHH-DNVCBOLYSA-N -1 3 391.475 3.754 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000737393703 598926259 /nfs/dbraw/zinc/92/62/59/598926259.db2.gz JZVFAHYFVGAWMF-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM Cc1cccc(CNC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000737393703 598926261 /nfs/dbraw/zinc/92/62/61/598926261.db2.gz JZVFAHYFVGAWMF-UHFFFAOYSA-N -1 3 399.454 3.684 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000736122716 598927734 /nfs/dbraw/zinc/92/77/34/598927734.db2.gz MCDLAEAXPCRGOE-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000736122716 598927735 /nfs/dbraw/zinc/92/77/35/598927735.db2.gz MCDLAEAXPCRGOE-MRXNPFEDSA-N -1 3 399.454 3.937 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1CC=CC1 ZINC000737278690 598941280 /nfs/dbraw/zinc/94/12/80/598941280.db2.gz COSMTUROMLMOOJ-UHFFFAOYSA-N -1 3 375.432 3.659 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C1CC=CC1 ZINC000737278690 598941282 /nfs/dbraw/zinc/94/12/82/598941282.db2.gz COSMTUROMLMOOJ-UHFFFAOYSA-N -1 3 375.432 3.659 20 0 GHADHM N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000115323623 598979850 /nfs/dbraw/zinc/97/98/50/598979850.db2.gz QKFASAZTYQDZCZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000115323623 598979853 /nfs/dbraw/zinc/97/98/53/598979853.db2.gz QKFASAZTYQDZCZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735701102 598987382 /nfs/dbraw/zinc/98/73/82/598987382.db2.gz JYDSSHMZEJSMMD-HNNXBMFYSA-N -1 3 379.464 3.562 20 0 GHADHM CC(C)[C@H](C)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735701102 598987384 /nfs/dbraw/zinc/98/73/84/598987384.db2.gz JYDSSHMZEJSMMD-HNNXBMFYSA-N -1 3 379.464 3.562 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1cccs1 ZINC000735828910 598988226 /nfs/dbraw/zinc/98/82/26/598988226.db2.gz BQNMDIWTODZWEP-UHFFFAOYSA-N -1 3 383.521 3.891 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1cccs1 ZINC000735828910 598988227 /nfs/dbraw/zinc/98/82/27/598988227.db2.gz BQNMDIWTODZWEP-UHFFFAOYSA-N -1 3 383.521 3.891 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736267667 598998358 /nfs/dbraw/zinc/99/83/58/598998358.db2.gz UOROKUFISBWHBH-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736267667 598998360 /nfs/dbraw/zinc/99/83/60/598998360.db2.gz UOROKUFISBWHBH-MRXNPFEDSA-N -1 3 391.475 3.708 20 0 GHADHM CC(C)Cc1noc(-c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000735851001 599009679 /nfs/dbraw/zinc/00/96/79/599009679.db2.gz JKWCHPVZPPJJJR-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM CC(C)Cc1noc(-c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000735851001 599009681 /nfs/dbraw/zinc/00/96/81/599009681.db2.gz JKWCHPVZPPJJJR-UHFFFAOYSA-N -1 3 376.420 3.694 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000735875034 599014763 /nfs/dbraw/zinc/01/47/63/599014763.db2.gz OTABXDWRRZCXRJ-LJQANCHMSA-N -1 3 375.476 3.724 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000735875034 599014766 /nfs/dbraw/zinc/01/47/66/599014766.db2.gz OTABXDWRRZCXRJ-LJQANCHMSA-N -1 3 375.476 3.724 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000736363031 599012406 /nfs/dbraw/zinc/01/24/06/599012406.db2.gz MCUAITVSNMSRIX-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736363031 599012408 /nfs/dbraw/zinc/01/24/08/599012408.db2.gz MCUAITVSNMSRIX-GTNSWQLSSA-N -1 3 386.406 3.656 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1C ZINC000737389568 599019236 /nfs/dbraw/zinc/01/92/36/599019236.db2.gz PPVUKXAIUUQQJU-OXJNMPFZSA-N -1 3 393.491 3.764 20 0 GHADHM Cc1cccc([C@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1C ZINC000737389568 599019237 /nfs/dbraw/zinc/01/92/37/599019237.db2.gz PPVUKXAIUUQQJU-OXJNMPFZSA-N -1 3 393.491 3.764 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736397444 599022627 /nfs/dbraw/zinc/02/26/27/599022627.db2.gz VBGRSBYMVBMORV-ZYHUDNBSSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736397444 599022629 /nfs/dbraw/zinc/02/26/29/599022629.db2.gz VBGRSBYMVBMORV-ZYHUDNBSSA-N -1 3 380.399 3.558 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737190282 599026957 /nfs/dbraw/zinc/02/69/57/599026957.db2.gz FKERYERPXOKZBC-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737190282 599026959 /nfs/dbraw/zinc/02/69/59/599026959.db2.gz FKERYERPXOKZBC-CHWSQXEVSA-N -1 3 384.461 3.660 20 0 GHADHM CC1(C)CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736211326 599027558 /nfs/dbraw/zinc/02/75/58/599027558.db2.gz OQMSERSZPDZVBD-UHFFFAOYSA-N -1 3 391.475 3.708 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CCO1 ZINC000822352351 599037236 /nfs/dbraw/zinc/03/72/36/599037236.db2.gz XOWJGRWYGHGDPH-LJQANCHMSA-N -1 3 386.459 3.610 20 0 GHADHM Cc1ccccc1[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CCO1 ZINC000822352351 599037239 /nfs/dbraw/zinc/03/72/39/599037239.db2.gz XOWJGRWYGHGDPH-LJQANCHMSA-N -1 3 386.459 3.610 20 0 GHADHM COc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737075356 599039447 /nfs/dbraw/zinc/03/94/47/599039447.db2.gz MTNQVSKGQAPDAN-MRVPVSSYSA-N -1 3 382.321 3.601 20 0 GHADHM COc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737075356 599039450 /nfs/dbraw/zinc/03/94/50/599039450.db2.gz MTNQVSKGQAPDAN-MRVPVSSYSA-N -1 3 382.321 3.601 20 0 GHADHM COc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1F ZINC000737075358 599039666 /nfs/dbraw/zinc/03/96/66/599039666.db2.gz MTNQVSKGQAPDAN-QMMMGPOBSA-N -1 3 382.321 3.601 20 0 GHADHM COc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1F ZINC000737075358 599039669 /nfs/dbraw/zinc/03/96/69/599039669.db2.gz MTNQVSKGQAPDAN-QMMMGPOBSA-N -1 3 382.321 3.601 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(C)C)c2n1 ZINC000737374956 599042578 /nfs/dbraw/zinc/04/25/78/599042578.db2.gz AXBDWFVQTMTYSH-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM Cc1ccc2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3OC(C)C)c2n1 ZINC000737374956 599042581 /nfs/dbraw/zinc/04/25/81/599042581.db2.gz AXBDWFVQTMTYSH-UHFFFAOYSA-N -1 3 388.431 3.763 20 0 GHADHM C[C@H](Cc1ccccc1Cl)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736059658 599042821 /nfs/dbraw/zinc/04/28/21/599042821.db2.gz UYMSSSSVTQJVQL-SECBINFHSA-N -1 3 382.777 3.977 20 0 GHADHM C[C@H](Cc1ccccc1Cl)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736059658 599042824 /nfs/dbraw/zinc/04/28/24/599042824.db2.gz UYMSSSSVTQJVQL-SECBINFHSA-N -1 3 382.777 3.977 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736196019 599045523 /nfs/dbraw/zinc/04/55/23/599045523.db2.gz IXBTZEKGTIMHRJ-MRVPVSSYSA-N -1 3 384.312 3.756 20 0 GHADHM C[C@H](c1cc(F)ccc1F)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736196019 599045526 /nfs/dbraw/zinc/04/55/26/599045526.db2.gz IXBTZEKGTIMHRJ-MRVPVSSYSA-N -1 3 384.312 3.756 20 0 GHADHM COc1ccc(F)cc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737100271 599046695 /nfs/dbraw/zinc/04/66/95/599046695.db2.gz VFQAKOHBDHOQIQ-MRVPVSSYSA-N -1 3 382.321 3.601 20 0 GHADHM COc1ccc(F)cc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737100271 599046698 /nfs/dbraw/zinc/04/66/98/599046698.db2.gz VFQAKOHBDHOQIQ-MRVPVSSYSA-N -1 3 382.321 3.601 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736720319 599052038 /nfs/dbraw/zinc/05/20/38/599052038.db2.gz OUCGKVRPKFDNNJ-CYBMUJFWSA-N -1 3 391.401 3.900 20 0 GHADHM CCn1c(C)cc2c1CCC[C@H]2Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736720319 599052040 /nfs/dbraw/zinc/05/20/40/599052040.db2.gz OUCGKVRPKFDNNJ-CYBMUJFWSA-N -1 3 391.401 3.900 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000819940298 599052263 /nfs/dbraw/zinc/05/22/63/599052263.db2.gz WDWOZDRZJKIXIP-GXTWGEPZSA-N -1 3 390.463 3.501 20 0 GHADHM CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000819940298 599052265 /nfs/dbraw/zinc/05/22/65/599052265.db2.gz WDWOZDRZJKIXIP-GXTWGEPZSA-N -1 3 390.463 3.501 20 0 GHADHM Cc1cccc2[nH]cc(CCNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)c21 ZINC000737409791 599054922 /nfs/dbraw/zinc/05/49/22/599054922.db2.gz SKGBSCZZSOURTM-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM Cc1cccc2[nH]cc(CCNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)c21 ZINC000737409791 599054924 /nfs/dbraw/zinc/05/49/24/599054924.db2.gz SKGBSCZZSOURTM-UHFFFAOYSA-N -1 3 387.369 3.725 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817579 599069871 /nfs/dbraw/zinc/06/98/71/599069871.db2.gz CFTWEVIONYHARV-SJLPKXTDSA-N -1 3 397.429 3.938 20 0 GHADHM CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817579 599069873 /nfs/dbraw/zinc/06/98/73/599069873.db2.gz CFTWEVIONYHARV-SJLPKXTDSA-N -1 3 397.429 3.938 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000736244261 599070468 /nfs/dbraw/zinc/07/04/68/599070468.db2.gz GELWSLLZQCZTEI-DOMZBBRYSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000736244261 599070470 /nfs/dbraw/zinc/07/04/70/599070470.db2.gz GELWSLLZQCZTEI-DOMZBBRYSA-N -1 3 381.402 3.584 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)s1 ZINC000736679454 599071953 /nfs/dbraw/zinc/07/19/53/599071953.db2.gz UMKOTTCJWSVSAR-JQWIXIFHSA-N -1 3 375.404 3.511 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)s1 ZINC000736679454 599071955 /nfs/dbraw/zinc/07/19/55/599071955.db2.gz UMKOTTCJWSVSAR-JQWIXIFHSA-N -1 3 375.404 3.511 20 0 GHADHM CS[C@H]1CC[C@H](Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC000821950686 599072951 /nfs/dbraw/zinc/07/29/51/599072951.db2.gz POZISTNMRVVYMO-STQMWFEESA-N -1 3 379.493 3.672 20 0 GHADHM CS[C@H]1CC[C@H](Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC000821950686 599072954 /nfs/dbraw/zinc/07/29/54/599072954.db2.gz POZISTNMRVVYMO-STQMWFEESA-N -1 3 379.493 3.672 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccoc1)C1CCCCC1 ZINC000737800263 599085887 /nfs/dbraw/zinc/08/58/87/599085887.db2.gz QRMWRDYDQZZTQH-ZHACJKMWSA-N -1 3 377.448 3.834 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccoc1)C1CCCCC1 ZINC000737800263 599085891 /nfs/dbraw/zinc/08/58/91/599085891.db2.gz QRMWRDYDQZZTQH-ZHACJKMWSA-N -1 3 377.448 3.834 20 0 GHADHM FC(F)(F)COc1ccc(CSCc2ccccc2-c2nnn[n-]2)cn1 ZINC000822718858 607258572 /nfs/dbraw/zinc/25/85/72/607258572.db2.gz SADJRFWVHIXZEN-UHFFFAOYSA-N -1 3 381.383 3.636 20 0 GHADHM FC(F)(F)COc1ccc(CSCc2ccccc2-c2nn[n-]n2)cn1 ZINC000822718858 607258573 /nfs/dbraw/zinc/25/85/73/607258573.db2.gz SADJRFWVHIXZEN-UHFFFAOYSA-N -1 3 381.383 3.636 20 0 GHADHM CCO[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C12CCCCC2 ZINC000736615490 599119799 /nfs/dbraw/zinc/11/97/99/599119799.db2.gz YIBHZZSKLJVCNW-KGLIPLIRSA-N -1 3 396.417 3.820 20 0 GHADHM CCO[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C12CCCCC2 ZINC000736615490 599119802 /nfs/dbraw/zinc/11/98/02/599119802.db2.gz YIBHZZSKLJVCNW-KGLIPLIRSA-N -1 3 396.417 3.820 20 0 GHADHM c1ccc(CCCc2nnc(SCc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000823779383 599133466 /nfs/dbraw/zinc/13/34/66/599133466.db2.gz BPKCQNDLUOBVQM-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM c1ccc(CCCc2nnc(SCc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000823779383 599133469 /nfs/dbraw/zinc/13/34/69/599133469.db2.gz BPKCQNDLUOBVQM-UHFFFAOYSA-N -1 3 378.461 3.717 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000822220411 599148949 /nfs/dbraw/zinc/14/89/49/599148949.db2.gz QHPDEIVTZCACMY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000822220411 599148952 /nfs/dbraw/zinc/14/89/52/599148952.db2.gz QHPDEIVTZCACMY-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Clc1ccc(Cl)c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737573834 599158478 /nfs/dbraw/zinc/15/84/78/599158478.db2.gz CJXCMVLIMRVMEQ-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM Clc1ccc(Cl)c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737573834 599158481 /nfs/dbraw/zinc/15/84/81/599158481.db2.gz CJXCMVLIMRVMEQ-UHFFFAOYSA-N -1 3 389.202 3.803 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820868976 599159538 /nfs/dbraw/zinc/15/95/38/599159538.db2.gz DCVAKADFOAWDBX-ZIAGYGMSSA-N -1 3 383.452 3.593 20 0 GHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820868976 599159542 /nfs/dbraw/zinc/15/95/42/599159542.db2.gz DCVAKADFOAWDBX-ZIAGYGMSSA-N -1 3 383.452 3.593 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502111 599160650 /nfs/dbraw/zinc/16/06/50/599160650.db2.gz KCCMRJUSZNPORA-APHBMKBZSA-N -1 3 397.429 3.858 20 0 GHADHM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502111 599160652 /nfs/dbraw/zinc/16/06/52/599160652.db2.gz KCCMRJUSZNPORA-APHBMKBZSA-N -1 3 397.429 3.858 20 0 GHADHM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737660576 599171442 /nfs/dbraw/zinc/17/14/42/599171442.db2.gz KJRPNIUQNWBUHX-GZMMTYOYSA-N -1 3 382.296 3.527 20 0 GHADHM Fc1cccc(F)c1[C@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737660576 599171443 /nfs/dbraw/zinc/17/14/43/599171443.db2.gz KJRPNIUQNWBUHX-GZMMTYOYSA-N -1 3 382.296 3.527 20 0 GHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251796 599176410 /nfs/dbraw/zinc/17/64/10/599176410.db2.gz RXZUVJSNWFQJJZ-LSDHHAIUSA-N -1 3 375.215 3.883 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000738251796 599176412 /nfs/dbraw/zinc/17/64/12/599176412.db2.gz RXZUVJSNWFQJJZ-LSDHHAIUSA-N -1 3 375.215 3.883 20 0 GHADHM O=C([C@@H]1CCSc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737791816 599181181 /nfs/dbraw/zinc/18/11/81/599181181.db2.gz KTURZGYCLACIDK-GOSISDBHSA-N -1 3 391.500 3.637 20 0 GHADHM O=C([C@@H]1CCSc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737791816 599181184 /nfs/dbraw/zinc/18/11/84/599181184.db2.gz KTURZGYCLACIDK-GOSISDBHSA-N -1 3 391.500 3.637 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095253 599181705 /nfs/dbraw/zinc/18/17/05/599181705.db2.gz DCMHKAXUQOGTDY-NWDGAFQWSA-N -1 3 389.381 3.866 20 0 GHADHM C[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095253 599181708 /nfs/dbraw/zinc/18/17/08/599181708.db2.gz DCMHKAXUQOGTDY-NWDGAFQWSA-N -1 3 389.381 3.866 20 0 GHADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000823241925 599185091 /nfs/dbraw/zinc/18/50/91/599185091.db2.gz KFUYNRGNXMIOND-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000823241925 599185094 /nfs/dbraw/zinc/18/50/94/599185094.db2.gz KFUYNRGNXMIOND-UHFFFAOYSA-N -1 3 385.402 3.507 20 0 GHADHM CC(C)(C)C(=O)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735586429 599188829 /nfs/dbraw/zinc/18/88/29/599188829.db2.gz MQIAKCAZPIPZEN-UHFFFAOYSA-N -1 3 397.866 3.669 20 0 GHADHM CC(C)(C)C(=O)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735586429 599188830 /nfs/dbraw/zinc/18/88/30/599188830.db2.gz MQIAKCAZPIPZEN-UHFFFAOYSA-N -1 3 397.866 3.669 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820666728 599190335 /nfs/dbraw/zinc/19/03/35/599190335.db2.gz JGHGUJUMBAFKCJ-IFXJQAMLSA-N -1 3 379.439 3.548 20 0 GHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820666728 599190338 /nfs/dbraw/zinc/19/03/38/599190338.db2.gz JGHGUJUMBAFKCJ-IFXJQAMLSA-N -1 3 379.439 3.548 20 0 GHADHM CN(CC1CC1)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736792475 599195373 /nfs/dbraw/zinc/19/53/73/599195373.db2.gz DWRZMQJSRYASOY-UHFFFAOYSA-N -1 3 383.839 3.794 20 0 GHADHM CN(CC1CC1)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736792475 599195376 /nfs/dbraw/zinc/19/53/76/599195376.db2.gz DWRZMQJSRYASOY-UHFFFAOYSA-N -1 3 383.839 3.794 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)c1C ZINC000822299457 599202544 /nfs/dbraw/zinc/20/25/44/599202544.db2.gz JKBWADVFIDSFSS-LJQANCHMSA-N -1 3 391.475 3.616 20 0 GHADHM Cc1cccc([C@H]2CCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)c1C ZINC000822299457 599202546 /nfs/dbraw/zinc/20/25/46/599202546.db2.gz JKBWADVFIDSFSS-LJQANCHMSA-N -1 3 391.475 3.616 20 0 GHADHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821160006 599211752 /nfs/dbraw/zinc/21/17/52/599211752.db2.gz FXIHTFBCLKZMOC-IBGZPJMESA-N -1 3 381.455 3.735 20 0 GHADHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821160006 599211755 /nfs/dbraw/zinc/21/17/55/599211755.db2.gz FXIHTFBCLKZMOC-IBGZPJMESA-N -1 3 381.455 3.735 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCS1 ZINC000820994588 599214329 /nfs/dbraw/zinc/21/43/29/599214329.db2.gz IZEYRRVHKMJESL-AWEZNQCLSA-N -1 3 379.489 3.501 20 0 GHADHM CC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCS1 ZINC000820994588 599214330 /nfs/dbraw/zinc/21/43/30/599214330.db2.gz IZEYRRVHKMJESL-AWEZNQCLSA-N -1 3 379.489 3.501 20 0 GHADHM O=C(OCc1ccno1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738233681 599217184 /nfs/dbraw/zinc/21/71/84/599217184.db2.gz FNDZSLXEDKDPGV-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM O=C(OCc1ccno1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738233681 599217187 /nfs/dbraw/zinc/21/71/87/599217187.db2.gz FNDZSLXEDKDPGV-UHFFFAOYSA-N -1 3 397.778 3.657 20 0 GHADHM C[C@H](Sc1cccs1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736192942 599221432 /nfs/dbraw/zinc/22/14/32/599221432.db2.gz PCBVRERSRFZNEQ-QMMMGPOBSA-N -1 3 377.520 3.598 20 0 GHADHM C[C@H](Sc1cccs1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736192942 599221435 /nfs/dbraw/zinc/22/14/35/599221435.db2.gz PCBVRERSRFZNEQ-QMMMGPOBSA-N -1 3 377.520 3.598 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822233165 599221564 /nfs/dbraw/zinc/22/15/64/599221564.db2.gz IXAMIXCBXMXAQQ-CMDPDOSDSA-N -1 3 377.448 3.781 20 0 GHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822233165 599221567 /nfs/dbraw/zinc/22/15/67/599221567.db2.gz IXAMIXCBXMXAQQ-CMDPDOSDSA-N -1 3 377.448 3.781 20 0 GHADHM C[C@@H](Sc1cccs1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736192939 599221679 /nfs/dbraw/zinc/22/16/79/599221679.db2.gz PCBVRERSRFZNEQ-MRVPVSSYSA-N -1 3 377.520 3.598 20 0 GHADHM C[C@@H](Sc1cccs1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736192939 599221682 /nfs/dbraw/zinc/22/16/82/599221682.db2.gz PCBVRERSRFZNEQ-MRVPVSSYSA-N -1 3 377.520 3.598 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822233166 599221842 /nfs/dbraw/zinc/22/18/42/599221842.db2.gz IXAMIXCBXMXAQQ-LHEOOFPCSA-N -1 3 377.448 3.781 20 0 GHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822233166 599221844 /nfs/dbraw/zinc/22/18/44/599221844.db2.gz IXAMIXCBXMXAQQ-LHEOOFPCSA-N -1 3 377.448 3.781 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccc(-c4nnn[n-]4)cc3F)ccc2o1 ZINC000821668645 599226004 /nfs/dbraw/zinc/22/60/04/599226004.db2.gz BWRNFWHNSPESPD-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM COC(=O)c1cc2cc(CSCc3ccc(-c4nn[n-]n4)cc3F)ccc2o1 ZINC000821668645 599226007 /nfs/dbraw/zinc/22/60/07/599226007.db2.gz BWRNFWHNSPESPD-UHFFFAOYSA-N -1 3 398.419 3.972 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737316806 599232192 /nfs/dbraw/zinc/23/21/92/599232192.db2.gz GCZBFKKFFOGYGD-UHFFFAOYSA-N -1 3 377.492 3.544 20 0 GHADHM Cc1ccc(C(C)(C)CN(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737316806 599232195 /nfs/dbraw/zinc/23/21/95/599232195.db2.gz GCZBFKKFFOGYGD-UHFFFAOYSA-N -1 3 377.492 3.544 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736353635 599233152 /nfs/dbraw/zinc/23/31/52/599233152.db2.gz OYVLZWLBUJQSEF-SFHVURJKSA-N -1 3 395.532 3.747 20 0 GHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736353635 599233155 /nfs/dbraw/zinc/23/31/55/599233155.db2.gz OYVLZWLBUJQSEF-SFHVURJKSA-N -1 3 395.532 3.747 20 0 GHADHM Fc1ccc(-n2ccc(CSCc3cc(-c4nnn[n-]4)ccc3F)n2)cc1 ZINC000822761424 599226939 /nfs/dbraw/zinc/22/69/39/599226939.db2.gz MCPKKWKQOCTTPH-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Fc1ccc(-n2ccc(CSCc3cc(-c4nn[n-]n4)ccc3F)n2)cc1 ZINC000822761424 599226940 /nfs/dbraw/zinc/22/69/40/599226940.db2.gz MCPKKWKQOCTTPH-UHFFFAOYSA-N -1 3 384.415 3.764 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1NC(=O)CC(C)C ZINC000822176645 607270074 /nfs/dbraw/zinc/27/00/74/607270074.db2.gz NJGHXGOXTWYCDR-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1NC(=O)CC(C)C ZINC000822176645 607270075 /nfs/dbraw/zinc/27/00/75/607270075.db2.gz NJGHXGOXTWYCDR-UHFFFAOYSA-N -1 3 392.463 3.720 20 0 GHADHM CCN(C(=O)c1cc2cc(F)ccc2o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506422 599247632 /nfs/dbraw/zinc/24/76/32/599247632.db2.gz XZLBZKGWKBCINM-GFCCVEGCSA-N -1 3 379.395 3.975 20 0 GHADHM CCN(C(=O)c1cc2cc(F)ccc2o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506422 599247634 /nfs/dbraw/zinc/24/76/34/599247634.db2.gz XZLBZKGWKBCINM-GFCCVEGCSA-N -1 3 379.395 3.975 20 0 GHADHM Cc1ccc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000822249037 607274680 /nfs/dbraw/zinc/27/46/80/607274680.db2.gz ZIGCIOADRACGSI-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736236378 599249523 /nfs/dbraw/zinc/24/95/23/599249523.db2.gz RVOITGMBDAJSBP-CJTYITQWSA-N -1 3 377.423 3.629 20 0 GHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736236378 599249526 /nfs/dbraw/zinc/24/95/26/599249526.db2.gz RVOITGMBDAJSBP-CJTYITQWSA-N -1 3 377.423 3.629 20 0 GHADHM Cc1c(NC(=O)NCc2csc(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000822103521 607280191 /nfs/dbraw/zinc/28/01/91/607280191.db2.gz HKTCWCCLPLPQSW-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1c(NC(=O)NCc2csc(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000822103521 607280192 /nfs/dbraw/zinc/28/01/92/607280192.db2.gz HKTCWCCLPLPQSW-UHFFFAOYSA-N -1 3 391.460 3.620 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3ccccc3F)CC2)cccc1-c1nnn[n-]1 ZINC000822084791 607280764 /nfs/dbraw/zinc/28/07/64/607280764.db2.gz PGDXWZACLQQONL-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM Cc1c(NC(=O)N2CCC(Cc3ccccc3F)CC2)cccc1-c1nn[n-]n1 ZINC000822084791 607280765 /nfs/dbraw/zinc/28/07/65/607280765.db2.gz PGDXWZACLQQONL-UHFFFAOYSA-N -1 3 394.454 3.801 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820380397 599252188 /nfs/dbraw/zinc/25/21/88/599252188.db2.gz RWSLOSLJOZGXED-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820380397 599252190 /nfs/dbraw/zinc/25/21/90/599252190.db2.gz RWSLOSLJOZGXED-SNVBAGLBSA-N -1 3 392.341 3.648 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822103586 607292616 /nfs/dbraw/zinc/29/26/16/607292616.db2.gz ICPBVGZHALSAOD-UHFFFAOYSA-N -1 3 377.235 3.804 20 0 GHADHM Cc1c(NC(=O)NCc2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822103586 607292617 /nfs/dbraw/zinc/29/26/17/607292617.db2.gz ICPBVGZHALSAOD-UHFFFAOYSA-N -1 3 377.235 3.804 20 0 GHADHM Cc1c(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cccc1-c1nnn[n-]1 ZINC000822096667 607293538 /nfs/dbraw/zinc/29/35/38/607293538.db2.gz PEJIEPBNAXZCHW-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1c(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cccc1-c1nn[n-]n1 ZINC000822096667 607293539 /nfs/dbraw/zinc/29/35/39/607293539.db2.gz PEJIEPBNAXZCHW-UHFFFAOYSA-N -1 3 395.854 3.674 20 0 GHADHM Cc1c(NC(=O)c2ccc(Cl)cc2Br)cccc1-c1nnn[n-]1 ZINC000822108446 607294358 /nfs/dbraw/zinc/29/43/58/607294358.db2.gz JRKANXUHBZQWTC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(NC(=O)c2ccc(Cl)cc2Br)cccc1-c1nn[n-]n1 ZINC000822108446 607294359 /nfs/dbraw/zinc/29/43/59/607294359.db2.gz JRKANXUHBZQWTC-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147049 607299725 /nfs/dbraw/zinc/29/97/25/607299725.db2.gz DYONZRUZHGWFAR-PRUHKGEBSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccnc(Cl)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147049 607299726 /nfs/dbraw/zinc/29/97/26/607299726.db2.gz DYONZRUZHGWFAR-PRUHKGEBSA-N -1 3 382.855 3.538 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820901586 607308742 /nfs/dbraw/zinc/30/87/42/607308742.db2.gz CKSYCHMGLZQIMD-CQSZACIVSA-N -1 3 381.484 3.648 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820901586 607308743 /nfs/dbraw/zinc/30/87/43/607308743.db2.gz CKSYCHMGLZQIMD-CQSZACIVSA-N -1 3 381.484 3.648 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820595770 599264946 /nfs/dbraw/zinc/26/49/46/599264946.db2.gz JIMBKIVWSZXAQE-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CC1(C)CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820595770 599264948 /nfs/dbraw/zinc/26/49/48/599264948.db2.gz JIMBKIVWSZXAQE-UHFFFAOYSA-N -1 3 378.436 3.923 20 0 GHADHM CCc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)o1 ZINC000736684949 599265732 /nfs/dbraw/zinc/26/57/32/599265732.db2.gz IJCNVFZPFFALCS-GFCCVEGCSA-N -1 3 378.358 3.777 20 0 GHADHM CCc1ccc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)o1 ZINC000736684949 599265735 /nfs/dbraw/zinc/26/57/35/599265735.db2.gz IJCNVFZPFFALCS-GFCCVEGCSA-N -1 3 378.358 3.777 20 0 GHADHM c1csc(CN(C[C@@H]2CCCO2)c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000823815623 607305115 /nfs/dbraw/zinc/30/51/15/607305115.db2.gz GSVXBIJKAGYOOH-AWEZNQCLSA-N -1 3 392.488 3.662 20 0 GHADHM c1csc(CN(C[C@@H]2CCCO2)c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000823815623 607305116 /nfs/dbraw/zinc/30/51/16/607305116.db2.gz GSVXBIJKAGYOOH-AWEZNQCLSA-N -1 3 392.488 3.662 20 0 GHADHM Cc1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)no1 ZINC000737262067 599267209 /nfs/dbraw/zinc/26/72/09/599267209.db2.gz GTMOLOUUGUFFBV-MRXNPFEDSA-N -1 3 381.827 3.706 20 0 GHADHM Cc1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)no1 ZINC000737262067 599267211 /nfs/dbraw/zinc/26/72/11/599267211.db2.gz GTMOLOUUGUFFBV-MRXNPFEDSA-N -1 3 381.827 3.706 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000736488705 599275540 /nfs/dbraw/zinc/27/55/40/599275540.db2.gz RAYVOQLPEIVLJA-CYBMUJFWSA-N -1 3 382.443 3.960 20 0 GHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(NC2CCCC2)c1 ZINC000737854104 599276890 /nfs/dbraw/zinc/27/68/90/599276890.db2.gz RBGRWFXOWBBKCJ-UHFFFAOYSA-N -1 3 376.464 3.793 20 0 GHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(NC2CCCC2)c1 ZINC000737854104 599276892 /nfs/dbraw/zinc/27/68/92/599276892.db2.gz RBGRWFXOWBBKCJ-UHFFFAOYSA-N -1 3 376.464 3.793 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2cccc2)cc1 ZINC000736487535 599276950 /nfs/dbraw/zinc/27/69/50/599276950.db2.gz HKDHSXSPQQKYKZ-UHFFFAOYSA-N -1 3 387.447 3.732 20 0 GHADHM COc1ccc(CNc2ccc(C)c(-c3nc(C)co3)c2)cc1-c1nnn[n-]1 ZINC000821821412 607319279 /nfs/dbraw/zinc/31/92/79/607319279.db2.gz GDACNODTZUOVES-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM COc1ccc(CNc2ccc(C)c(-c3nc(C)co3)c2)cc1-c1nn[n-]n1 ZINC000821821412 607319280 /nfs/dbraw/zinc/31/92/80/607319280.db2.gz GDACNODTZUOVES-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@H]1C[C@H]1C1CCCCC1 ZINC000823299057 599277638 /nfs/dbraw/zinc/27/76/38/599277638.db2.gz FMLIQYVKLJVHRG-STQMWFEESA-N -1 3 392.410 3.558 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@H]1C[C@H]1C1CCCCC1 ZINC000823299057 599277640 /nfs/dbraw/zinc/27/76/40/599277640.db2.gz FMLIQYVKLJVHRG-STQMWFEESA-N -1 3 392.410 3.558 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NCCC1CC1 ZINC000822211749 599277737 /nfs/dbraw/zinc/27/77/37/599277737.db2.gz NBSDZUYCNMDFFP-UHFFFAOYSA-N -1 3 392.463 3.676 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)NCCC1CC1 ZINC000822211749 599277739 /nfs/dbraw/zinc/27/77/39/599277739.db2.gz NBSDZUYCNMDFFP-UHFFFAOYSA-N -1 3 392.463 3.676 20 0 GHADHM C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192300 599286936 /nfs/dbraw/zinc/28/69/36/599286936.db2.gz LEMQNZUCRHGXPQ-LBPRGKRZSA-N -1 3 390.476 3.708 20 0 GHADHM C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192300 599286938 /nfs/dbraw/zinc/28/69/38/599286938.db2.gz LEMQNZUCRHGXPQ-LBPRGKRZSA-N -1 3 390.476 3.708 20 0 GHADHM C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193522 599287448 /nfs/dbraw/zinc/28/74/48/599287448.db2.gz SICGIHYXDGTQPC-GFCCVEGCSA-N -1 3 390.472 3.765 20 0 GHADHM C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193522 599287450 /nfs/dbraw/zinc/28/74/50/599287450.db2.gz SICGIHYXDGTQPC-GFCCVEGCSA-N -1 3 390.472 3.765 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823472679 607321337 /nfs/dbraw/zinc/32/13/37/607321337.db2.gz UYZPIVRUWDGKHW-CQSZACIVSA-N -1 3 375.404 3.574 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000823472679 607321338 /nfs/dbraw/zinc/32/13/38/607321338.db2.gz UYZPIVRUWDGKHW-CQSZACIVSA-N -1 3 375.404 3.574 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nc(C)cc(C)c3-c3nnn[n-]3)cc2)n1 ZINC000822193227 607328721 /nfs/dbraw/zinc/32/87/21/607328721.db2.gz PECOFAVZXKNCPI-MRXNPFEDSA-N -1 3 388.479 3.854 20 0 GHADHM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nc(C)cc(C)c3-c3nn[n-]n3)cc2)n1 ZINC000822193227 607328722 /nfs/dbraw/zinc/32/87/22/607328722.db2.gz PECOFAVZXKNCPI-MRXNPFEDSA-N -1 3 388.479 3.854 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736279766 598230974 /nfs/dbraw/zinc/23/09/74/598230974.db2.gz ZVZOQZPQQUUBHH-AWEZNQCLSA-N -1 3 379.489 3.641 20 0 GHADHM C[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736279766 598230975 /nfs/dbraw/zinc/23/09/75/598230975.db2.gz ZVZOQZPQQUUBHH-AWEZNQCLSA-N -1 3 379.489 3.641 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@H]1CCCc2sccc21 ZINC000821699064 607348883 /nfs/dbraw/zinc/34/88/83/607348883.db2.gz ANFKWVLGWYMQID-NSHDSACASA-N -1 3 390.852 3.616 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@H]1CCCc2sccc21 ZINC000821699064 607348884 /nfs/dbraw/zinc/34/88/84/607348884.db2.gz ANFKWVLGWYMQID-NSHDSACASA-N -1 3 390.852 3.616 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000737320979 598271109 /nfs/dbraw/zinc/27/11/09/598271109.db2.gz AGBZTFWXLGAIAI-AWEZNQCLSA-N -1 3 382.493 3.615 20 0 GHADHM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000737320979 598271110 /nfs/dbraw/zinc/27/11/10/598271110.db2.gz AGBZTFWXLGAIAI-AWEZNQCLSA-N -1 3 382.493 3.615 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000736115784 598274862 /nfs/dbraw/zinc/27/48/62/598274862.db2.gz JOGOOWHOTXESAX-NSHDSACASA-N -1 3 387.875 3.959 20 0 GHADHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000736115784 598274864 /nfs/dbraw/zinc/27/48/64/598274864.db2.gz JOGOOWHOTXESAX-NSHDSACASA-N -1 3 387.875 3.959 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733308 598278923 /nfs/dbraw/zinc/27/89/23/598278923.db2.gz SLTVTERAWCEQBP-ZDUSSCGKSA-N -1 3 393.344 3.705 20 0 GHADHM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733308 598278925 /nfs/dbraw/zinc/27/89/25/598278925.db2.gz SLTVTERAWCEQBP-ZDUSSCGKSA-N -1 3 393.344 3.705 20 0 GHADHM CC(C)c1ccc(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735928661 598279488 /nfs/dbraw/zinc/27/94/88/598279488.db2.gz OPLYIGPVATYXMR-UHFFFAOYSA-N -1 3 385.468 3.884 20 0 GHADHM CC(C)c1ccc(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735928661 598279489 /nfs/dbraw/zinc/27/94/89/598279489.db2.gz OPLYIGPVATYXMR-UHFFFAOYSA-N -1 3 385.468 3.884 20 0 GHADHM O=C(Cc1cccc(O)c1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737969094 598287448 /nfs/dbraw/zinc/28/74/48/598287448.db2.gz NMYQEMLYDOCLIN-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM O=C(Cc1cccc(O)c1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737969094 598287451 /nfs/dbraw/zinc/28/74/51/598287451.db2.gz NMYQEMLYDOCLIN-UHFFFAOYSA-N -1 3 387.399 3.546 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736327480 598297335 /nfs/dbraw/zinc/29/73/35/598297335.db2.gz LIGUQCDXGWTXLL-IEZBTEQYSA-N -1 3 393.447 3.705 20 0 GHADHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736327480 598297336 /nfs/dbraw/zinc/29/73/36/598297336.db2.gz LIGUQCDXGWTXLL-IEZBTEQYSA-N -1 3 393.447 3.705 20 0 GHADHM CC(C)C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccs1 ZINC000735790396 598325065 /nfs/dbraw/zinc/32/50/65/598325065.db2.gz ZZRCQVOSOHPQJN-HNNXBMFYSA-N -1 3 388.472 3.654 20 0 GHADHM CC(C)C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000735790396 598325067 /nfs/dbraw/zinc/32/50/67/598325067.db2.gz ZZRCQVOSOHPQJN-HNNXBMFYSA-N -1 3 388.472 3.654 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737346010 598325542 /nfs/dbraw/zinc/32/55/42/598325542.db2.gz BGNWPWIDANOZOZ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1ccc(F)cc1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737346010 598325543 /nfs/dbraw/zinc/32/55/43/598325543.db2.gz BGNWPWIDANOZOZ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736248558 598326951 /nfs/dbraw/zinc/32/69/51/598326951.db2.gz JEGOWMOSCWPHSN-GJZGRUSLSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736248558 598326953 /nfs/dbraw/zinc/32/69/53/598326953.db2.gz JEGOWMOSCWPHSN-GJZGRUSLSA-N -1 3 395.463 3.595 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736199838 598329076 /nfs/dbraw/zinc/32/90/76/598329076.db2.gz ZCHRLVFRMXTRTJ-LBPRGKRZSA-N -1 3 394.410 3.655 20 0 GHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736199838 598329078 /nfs/dbraw/zinc/32/90/78/598329078.db2.gz ZCHRLVFRMXTRTJ-LBPRGKRZSA-N -1 3 394.410 3.655 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1CCCc2sccc21 ZINC000823299318 607351915 /nfs/dbraw/zinc/35/19/15/607351915.db2.gz RRQNQTPSPZAGHE-LLVKDONJSA-N -1 3 391.403 3.588 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1CCCc2sccc21 ZINC000823299318 607351916 /nfs/dbraw/zinc/35/19/16/607351916.db2.gz RRQNQTPSPZAGHE-LLVKDONJSA-N -1 3 391.403 3.588 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)c1ccccc1F ZINC000736479367 598365314 /nfs/dbraw/zinc/36/53/14/598365314.db2.gz JLTUKTCDSJEPKF-HNNXBMFYSA-N -1 3 381.455 3.938 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)c1ccccc1F ZINC000736479367 598365316 /nfs/dbraw/zinc/36/53/16/598365316.db2.gz JLTUKTCDSJEPKF-HNNXBMFYSA-N -1 3 381.455 3.938 20 0 GHADHM Cc1ccc(C)c(N(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737323675 598373177 /nfs/dbraw/zinc/37/31/77/598373177.db2.gz UYABHWGIFXIPGF-MRXNPFEDSA-N -1 3 379.464 3.692 20 0 GHADHM Cc1ccc(C)c(N(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737323675 598373178 /nfs/dbraw/zinc/37/31/78/598373178.db2.gz UYABHWGIFXIPGF-MRXNPFEDSA-N -1 3 379.464 3.692 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000736820084 598380196 /nfs/dbraw/zinc/38/01/96/598380196.db2.gz LIRSDISJEGTAQU-FQEVSTJZSA-N -1 3 391.475 3.526 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000736820084 598380199 /nfs/dbraw/zinc/38/01/99/598380199.db2.gz LIRSDISJEGTAQU-FQEVSTJZSA-N -1 3 391.475 3.526 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000737566341 598386843 /nfs/dbraw/zinc/38/68/43/598386843.db2.gz ZPMXPYFPGZGSJI-NSHDSACASA-N -1 3 397.895 3.909 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000737566341 598386844 /nfs/dbraw/zinc/38/68/44/598386844.db2.gz ZPMXPYFPGZGSJI-NSHDSACASA-N -1 3 397.895 3.909 20 0 GHADHM Fc1cc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3)CCO2)c(Cl)cc1Cl ZINC000737643739 598388576 /nfs/dbraw/zinc/38/85/76/598388576.db2.gz FIYOMLUWNVHDHT-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736306608 598393611 /nfs/dbraw/zinc/39/36/11/598393611.db2.gz YDVZQJXMYUEFKJ-LLVKDONJSA-N -1 3 384.896 3.836 20 0 GHADHM C[C@@H]1c2ccccc2CCN1C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736306608 598393613 /nfs/dbraw/zinc/39/36/13/598393613.db2.gz YDVZQJXMYUEFKJ-LLVKDONJSA-N -1 3 384.896 3.836 20 0 GHADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000737128329 598394423 /nfs/dbraw/zinc/39/44/23/598394423.db2.gz CRYHPQKUSNKHLL-CABCVRRESA-N -1 3 395.488 3.558 20 0 GHADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000737128329 598394424 /nfs/dbraw/zinc/39/44/24/598394424.db2.gz CRYHPQKUSNKHLL-CABCVRRESA-N -1 3 395.488 3.558 20 0 GHADHM Fc1ccc(Oc2cc(CNc3ncc(-c4nnn[n-]4)cc3Cl)ccn2)cc1 ZINC000737655682 598394573 /nfs/dbraw/zinc/39/45/73/598394573.db2.gz CCEBBUSOKXODIQ-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM Fc1ccc(Oc2cc(CNc3ncc(-c4nn[n-]n4)cc3Cl)ccn2)cc1 ZINC000737655682 598394574 /nfs/dbraw/zinc/39/45/74/598394574.db2.gz CCEBBUSOKXODIQ-UHFFFAOYSA-N -1 3 397.801 3.854 20 0 GHADHM CCN(C(=S)Nc1ccc(Cl)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509391 598416729 /nfs/dbraw/zinc/41/67/29/598416729.db2.gz XFUDBUDNUWTJJZ-LLVKDONJSA-N -1 3 387.900 3.695 20 0 GHADHM CCN(C(=S)Nc1ccc(Cl)nc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509391 598416730 /nfs/dbraw/zinc/41/67/30/598416730.db2.gz XFUDBUDNUWTJJZ-LLVKDONJSA-N -1 3 387.900 3.695 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738208110 598420446 /nfs/dbraw/zinc/42/04/46/598420446.db2.gz KAAYYLBVINKNKX-WDEREUQCSA-N -1 3 380.260 3.977 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000738208110 598420447 /nfs/dbraw/zinc/42/04/47/598420447.db2.gz KAAYYLBVINKNKX-WDEREUQCSA-N -1 3 380.260 3.977 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736733821 598420895 /nfs/dbraw/zinc/42/08/95/598420895.db2.gz ZNBYEWXCNFFABB-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736733821 598420896 /nfs/dbraw/zinc/42/08/96/598420896.db2.gz ZNBYEWXCNFFABB-GJZGRUSLSA-N -1 3 388.258 3.940 20 0 GHADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(C)c1 ZINC000737103947 598428738 /nfs/dbraw/zinc/42/87/38/598428738.db2.gz MALXZUXJWXBQCR-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM COc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C)c1 ZINC000737103947 598428739 /nfs/dbraw/zinc/42/87/39/598428739.db2.gz MALXZUXJWXBQCR-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000736119438 598428784 /nfs/dbraw/zinc/42/87/84/598428784.db2.gz YRVGLHLNKOSKBW-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000736119438 598428786 /nfs/dbraw/zinc/42/87/86/598428786.db2.gz YRVGLHLNKOSKBW-LBPRGKRZSA-N -1 3 391.460 3.873 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000737072590 598436893 /nfs/dbraw/zinc/43/68/93/598436893.db2.gz NGMKLGALTMETPF-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000737072590 598436894 /nfs/dbraw/zinc/43/68/94/598436894.db2.gz NGMKLGALTMETPF-LLVKDONJSA-N -1 3 383.477 3.558 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737291461 598444630 /nfs/dbraw/zinc/44/46/30/598444630.db2.gz MATHJIGVMJXESW-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000737291461 598444631 /nfs/dbraw/zinc/44/46/31/598444631.db2.gz MATHJIGVMJXESW-UHFFFAOYSA-N -1 3 387.365 3.864 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735651216 598459938 /nfs/dbraw/zinc/45/99/38/598459938.db2.gz QYQCUWXDHMXHII-GOSISDBHSA-N -1 3 376.464 3.537 20 0 GHADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735651216 598459939 /nfs/dbraw/zinc/45/99/39/598459939.db2.gz QYQCUWXDHMXHII-GOSISDBHSA-N -1 3 376.464 3.537 20 0 GHADHM CCn1c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)nc2cc(F)ccc21 ZINC000736720872 598460520 /nfs/dbraw/zinc/46/05/20/598460520.db2.gz YCCFNWLZLIFQLK-UHFFFAOYSA-N -1 3 393.470 3.786 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737421951 598476982 /nfs/dbraw/zinc/47/69/82/598476982.db2.gz NTTYIJMOEHANMO-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM Cc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737421951 598476984 /nfs/dbraw/zinc/47/69/84/598476984.db2.gz NTTYIJMOEHANMO-OAHLLOKOSA-N -1 3 376.464 3.610 20 0 GHADHM COc1cc(Cl)ccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737047999 598484048 /nfs/dbraw/zinc/48/40/48/598484048.db2.gz WDNIJULZXSEMGF-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM COc1cc(Cl)ccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737047999 598484050 /nfs/dbraw/zinc/48/40/50/598484050.db2.gz WDNIJULZXSEMGF-UHFFFAOYSA-N -1 3 393.234 3.504 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000735661151 598489601 /nfs/dbraw/zinc/48/96/01/598489601.db2.gz RQJDNBMORXDKEM-UHFFFAOYSA-N -1 3 393.278 3.911 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000735661151 598489602 /nfs/dbraw/zinc/48/96/02/598489602.db2.gz RQJDNBMORXDKEM-UHFFFAOYSA-N -1 3 393.278 3.911 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737549049 598489993 /nfs/dbraw/zinc/48/99/93/598489993.db2.gz ZGYXQPMQJSHXMF-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737549049 598489994 /nfs/dbraw/zinc/48/99/94/598489994.db2.gz ZGYXQPMQJSHXMF-LBPRGKRZSA-N -1 3 375.388 3.748 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000737960388 598496754 /nfs/dbraw/zinc/49/67/54/598496754.db2.gz FTVAKFGOQZNBQY-HXUWFJFHSA-N -1 3 386.459 3.644 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000737960388 598496756 /nfs/dbraw/zinc/49/67/56/598496756.db2.gz FTVAKFGOQZNBQY-HXUWFJFHSA-N -1 3 386.459 3.644 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc(Cl)ccc1F ZINC000738207871 598534836 /nfs/dbraw/zinc/53/48/36/598534836.db2.gz JIFMLCZDVLMHLN-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc(Cl)ccc1F ZINC000738207871 598534837 /nfs/dbraw/zinc/53/48/37/598534837.db2.gz JIFMLCZDVLMHLN-UHFFFAOYSA-N -1 3 377.832 3.852 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735691951 598541571 /nfs/dbraw/zinc/54/15/71/598541571.db2.gz FUAAFMOTFDSPLO-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CC(C)C(C)(C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735691951 598541574 /nfs/dbraw/zinc/54/15/74/598541574.db2.gz FUAAFMOTFDSPLO-UHFFFAOYSA-N -1 3 379.464 3.610 20 0 GHADHM CCc1sc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1C ZINC000736714539 598546634 /nfs/dbraw/zinc/54/66/34/598546634.db2.gz XARSHQODTPGUAF-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM CCc1sc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1C ZINC000736714539 598546635 /nfs/dbraw/zinc/54/66/35/598546635.db2.gz XARSHQODTPGUAF-UHFFFAOYSA-N -1 3 379.392 3.653 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)c1ccc[nH]1 ZINC000738171165 598550583 /nfs/dbraw/zinc/55/05/83/598550583.db2.gz DKYUFNCPNDHMLE-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)c1ccc[nH]1 ZINC000738171165 598550584 /nfs/dbraw/zinc/55/05/84/598550584.db2.gz DKYUFNCPNDHMLE-UHFFFAOYSA-N -1 3 394.822 3.680 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736399451 598561887 /nfs/dbraw/zinc/56/18/87/598561887.db2.gz GUMDXXLQBZPUSY-PWSUYJOCSA-N -1 3 380.399 3.558 20 0 GHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736399451 598561888 /nfs/dbraw/zinc/56/18/88/598561888.db2.gz GUMDXXLQBZPUSY-PWSUYJOCSA-N -1 3 380.399 3.558 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735963346 598564755 /nfs/dbraw/zinc/56/47/55/598564755.db2.gz DTGUNWNFRZETDZ-CYBMUJFWSA-N -1 3 378.436 3.921 20 0 GHADHM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735963346 598564756 /nfs/dbraw/zinc/56/47/56/598564756.db2.gz DTGUNWNFRZETDZ-CYBMUJFWSA-N -1 3 378.436 3.921 20 0 GHADHM O=C(Oc1ccc2ccccc2c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738247545 598571062 /nfs/dbraw/zinc/57/10/62/598571062.db2.gz RJICWWQAGMRJAD-FQEVSTJZSA-N -1 3 385.427 3.594 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000735819203 598574349 /nfs/dbraw/zinc/57/43/49/598574349.db2.gz FWTFYLSELZYCAK-UHFFFAOYSA-N -1 3 383.418 3.917 20 0 GHADHM CC(C)CCOC1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000735819203 598574351 /nfs/dbraw/zinc/57/43/51/598574351.db2.gz FWTFYLSELZYCAK-UHFFFAOYSA-N -1 3 383.418 3.917 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737633235 598575961 /nfs/dbraw/zinc/57/59/61/598575961.db2.gz PICMPSKRYZZZBF-ZDUSSCGKSA-N -1 3 388.397 3.824 20 0 GHADHM FC(F)(F)c1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737633235 598575963 /nfs/dbraw/zinc/57/59/63/598575963.db2.gz PICMPSKRYZZZBF-ZDUSSCGKSA-N -1 3 388.397 3.824 20 0 GHADHM O[C@@]1(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCc2ccccc21 ZINC000738388941 598581162 /nfs/dbraw/zinc/58/11/62/598581162.db2.gz JFYZTBFXQINNPS-GOSISDBHSA-N -1 3 389.381 3.522 20 0 GHADHM O[C@@]1(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCc2ccccc21 ZINC000738388941 598581164 /nfs/dbraw/zinc/58/11/64/598581164.db2.gz JFYZTBFXQINNPS-GOSISDBHSA-N -1 3 389.381 3.522 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736183478 598585929 /nfs/dbraw/zinc/58/59/29/598585929.db2.gz RZYBXTRZMHBGLG-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736183478 598585931 /nfs/dbraw/zinc/58/59/31/598585931.db2.gz RZYBXTRZMHBGLG-QMMMGPOBSA-N -1 3 396.209 3.719 20 0 GHADHM CCc1nc2ccccc2c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000736705717 598590269 /nfs/dbraw/zinc/59/02/69/598590269.db2.gz NAVLFQZWIQMDHM-UHFFFAOYSA-N -1 3 376.395 3.677 20 0 GHADHM CCc1nc2ccccc2c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000736705717 598590271 /nfs/dbraw/zinc/59/02/71/598590271.db2.gz NAVLFQZWIQMDHM-UHFFFAOYSA-N -1 3 376.395 3.677 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198155 598630581 /nfs/dbraw/zinc/63/05/81/598630581.db2.gz GXBAKWHFQCDOKY-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198155 598630583 /nfs/dbraw/zinc/63/05/83/598630583.db2.gz GXBAKWHFQCDOKY-SECBINFHSA-N -1 3 376.342 3.509 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736198067 598630681 /nfs/dbraw/zinc/63/06/81/598630681.db2.gz QEGDGYSUAXADHS-LLVKDONJSA-N -1 3 380.383 3.977 20 0 GHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736198067 598630683 /nfs/dbraw/zinc/63/06/83/598630683.db2.gz QEGDGYSUAXADHS-LLVKDONJSA-N -1 3 380.383 3.977 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1nc(-c2ccccn2)nc2c1CCC2 ZINC000737562569 598630815 /nfs/dbraw/zinc/63/08/15/598630815.db2.gz KAGIHAFZXBYGLO-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2ccccn2)nc2c1CCC2 ZINC000737562569 598630818 /nfs/dbraw/zinc/63/08/18/598630818.db2.gz KAGIHAFZXBYGLO-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM Fc1ccc(N2CCC(c3nc4ccccc4s3)CC2)c(-c2nnn[n-]2)c1 ZINC000737658751 598631319 /nfs/dbraw/zinc/63/13/19/598631319.db2.gz HZAZZSYYCORHBW-UHFFFAOYSA-N -1 3 380.452 4.000 20 0 GHADHM Fc1ccc(N2CCC(c3nc4ccccc4s3)CC2)c(-c2nn[n-]n2)c1 ZINC000737658751 598631321 /nfs/dbraw/zinc/63/13/21/598631321.db2.gz HZAZZSYYCORHBW-UHFFFAOYSA-N -1 3 380.452 4.000 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737803886 598641879 /nfs/dbraw/zinc/64/18/79/598641879.db2.gz WIHLZRBFWKFEEH-SQZREULQSA-N -1 3 383.411 3.608 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@@H](c1ccccc1)c1cccnc1 ZINC000737803886 598641881 /nfs/dbraw/zinc/64/18/81/598641881.db2.gz WIHLZRBFWKFEEH-SQZREULQSA-N -1 3 383.411 3.608 20 0 GHADHM CCCCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736442694 598644593 /nfs/dbraw/zinc/64/45/93/598644593.db2.gz YLRCAUJWQNEQFU-CQSZACIVSA-N -1 3 380.452 3.753 20 0 GHADHM CCCCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736442694 598644595 /nfs/dbraw/zinc/64/45/95/598644595.db2.gz YLRCAUJWQNEQFU-CQSZACIVSA-N -1 3 380.452 3.753 20 0 GHADHM S=C(Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738410491 598644605 /nfs/dbraw/zinc/64/46/05/598644605.db2.gz ZHGQIIVJRFHFOG-ZDUSSCGKSA-N -1 3 384.896 3.706 20 0 GHADHM S=C(Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738410491 598644607 /nfs/dbraw/zinc/64/46/07/598644607.db2.gz ZHGQIIVJRFHFOG-ZDUSSCGKSA-N -1 3 384.896 3.706 20 0 GHADHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCCCC1 ZINC000736742529 598647678 /nfs/dbraw/zinc/64/76/78/598647678.db2.gz ODFGOMPIFVEIKP-UHFFFAOYSA-N -1 3 392.463 3.849 20 0 GHADHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCCCC1 ZINC000736742529 598647680 /nfs/dbraw/zinc/64/76/80/598647680.db2.gz ODFGOMPIFVEIKP-UHFFFAOYSA-N -1 3 392.463 3.849 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736200204 598647814 /nfs/dbraw/zinc/64/78/14/598647814.db2.gz CWDVTGHDYWZPSP-INIZCTEOSA-N -1 3 379.464 3.635 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736200204 598647816 /nfs/dbraw/zinc/64/78/16/598647816.db2.gz CWDVTGHDYWZPSP-INIZCTEOSA-N -1 3 379.464 3.635 20 0 GHADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736356755 598649955 /nfs/dbraw/zinc/64/99/55/598649955.db2.gz OOQCYYSNVBXTAL-IBGZPJMESA-N -1 3 379.464 3.683 20 0 GHADHM CC[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736356755 598649956 /nfs/dbraw/zinc/64/99/56/598649956.db2.gz OOQCYYSNVBXTAL-IBGZPJMESA-N -1 3 379.464 3.683 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736819703 598650078 /nfs/dbraw/zinc/65/00/78/598650078.db2.gz HUKDFOMWDBEZPY-UHFFFAOYSA-N -1 3 389.484 3.771 20 0 GHADHM CN(Cc1ccc2ccccc2c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736819703 598650079 /nfs/dbraw/zinc/65/00/79/598650079.db2.gz HUKDFOMWDBEZPY-UHFFFAOYSA-N -1 3 389.484 3.771 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cc1 ZINC000735497717 598650918 /nfs/dbraw/zinc/65/09/18/598650918.db2.gz URFGWTDWSACPJW-UHFFFAOYSA-N -1 3 387.399 3.509 20 0 GHADHM CC(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)cc1 ZINC000735497717 598650920 /nfs/dbraw/zinc/65/09/20/598650920.db2.gz URFGWTDWSACPJW-UHFFFAOYSA-N -1 3 387.399 3.509 20 0 GHADHM CCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000736467590 598651829 /nfs/dbraw/zinc/65/18/29/598651829.db2.gz GVPZJZYZJCASGH-LJQANCHMSA-N -1 3 393.516 3.885 20 0 GHADHM CCCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000736467590 598651830 /nfs/dbraw/zinc/65/18/30/598651830.db2.gz GVPZJZYZJCASGH-LJQANCHMSA-N -1 3 393.516 3.885 20 0 GHADHM Cc1ccc(CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C2CC2)o1 ZINC000737338039 598653368 /nfs/dbraw/zinc/65/33/68/598653368.db2.gz XBHUOJOVZMDVPF-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM Cc1ccc(CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C2CC2)o1 ZINC000737338039 598653369 /nfs/dbraw/zinc/65/33/69/598653369.db2.gz XBHUOJOVZMDVPF-UHFFFAOYSA-N -1 3 395.463 3.508 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000736247356 598654732 /nfs/dbraw/zinc/65/47/32/598654732.db2.gz BXXJEDMWCMWGIY-GJZGRUSLSA-N -1 3 392.463 3.610 20 0 GHADHM C[C@H]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000736247356 598654733 /nfs/dbraw/zinc/65/47/33/598654733.db2.gz BXXJEDMWCMWGIY-GJZGRUSLSA-N -1 3 392.463 3.610 20 0 GHADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000737831589 598655868 /nfs/dbraw/zinc/65/58/68/598655868.db2.gz BFCTVNPHTCZLBU-LJQANCHMSA-N -1 3 383.496 3.597 20 0 GHADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000737831589 598655869 /nfs/dbraw/zinc/65/58/69/598655869.db2.gz BFCTVNPHTCZLBU-LJQANCHMSA-N -1 3 383.496 3.597 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000736209632 598656896 /nfs/dbraw/zinc/65/68/96/598656896.db2.gz BWWMWXBMGORRQG-GOSISDBHSA-N -1 3 393.516 3.888 20 0 GHADHM CC1(C)CC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000736209632 598656898 /nfs/dbraw/zinc/65/68/98/598656898.db2.gz BWWMWXBMGORRQG-GOSISDBHSA-N -1 3 393.516 3.888 20 0 GHADHM CC(=O)c1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000735495165 598657152 /nfs/dbraw/zinc/65/71/52/598657152.db2.gz BWJDDAJMFIVCDY-UHFFFAOYSA-N -1 3 394.431 3.532 20 0 GHADHM CC(=O)c1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000735495165 598657154 /nfs/dbraw/zinc/65/71/54/598657154.db2.gz BWJDDAJMFIVCDY-UHFFFAOYSA-N -1 3 394.431 3.532 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736436702 598657568 /nfs/dbraw/zinc/65/75/68/598657568.db2.gz SJZIUXPOEOVOAH-LPHOPBHVSA-N -1 3 385.512 3.891 20 0 GHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736436702 598657570 /nfs/dbraw/zinc/65/75/70/598657570.db2.gz SJZIUXPOEOVOAH-LPHOPBHVSA-N -1 3 385.512 3.891 20 0 GHADHM CC(C)n1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000735961952 598657975 /nfs/dbraw/zinc/65/79/75/598657975.db2.gz YAPULRDBYAVTAN-UHFFFAOYSA-N -1 3 389.419 3.689 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CC2(CCC2)c2c1cccc2F ZINC000737943670 598659384 /nfs/dbraw/zinc/65/93/84/598659384.db2.gz UNDUAGPVMRPLLS-UHFFFAOYSA-N -1 3 395.463 3.566 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CC2(CCC2)c2c1cccc2F ZINC000737943670 598659386 /nfs/dbraw/zinc/65/93/86/598659386.db2.gz UNDUAGPVMRPLLS-UHFFFAOYSA-N -1 3 395.463 3.566 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737462992 598661694 /nfs/dbraw/zinc/66/16/94/598661694.db2.gz CWXGMXOPKCJTBL-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737462992 598661696 /nfs/dbraw/zinc/66/16/96/598661696.db2.gz CWXGMXOPKCJTBL-UHFFFAOYSA-N -1 3 397.851 3.599 20 0 GHADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000737963892 598662900 /nfs/dbraw/zinc/66/29/00/598662900.db2.gz UUXCFUIXTMACJD-UHFFFAOYSA-N -1 3 391.381 3.993 20 0 GHADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000737963892 598662902 /nfs/dbraw/zinc/66/29/02/598662902.db2.gz UUXCFUIXTMACJD-UHFFFAOYSA-N -1 3 391.381 3.993 20 0 GHADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735671921 598664010 /nfs/dbraw/zinc/66/40/10/598664010.db2.gz UDPNALVRUNASNK-UHFFFAOYSA-N -1 3 397.454 3.606 20 0 GHADHM CC(C)(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735671921 598664012 /nfs/dbraw/zinc/66/40/12/598664012.db2.gz UDPNALVRUNASNK-UHFFFAOYSA-N -1 3 397.454 3.606 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000735625441 598673218 /nfs/dbraw/zinc/67/32/18/598673218.db2.gz FWUPVGBHPSROFQ-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000735625441 598673221 /nfs/dbraw/zinc/67/32/21/598673221.db2.gz FWUPVGBHPSROFQ-LBPRGKRZSA-N -1 3 392.891 3.579 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000738192500 598676536 /nfs/dbraw/zinc/67/65/36/598676536.db2.gz RWUROGAQQIASRO-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccccc1)c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000738192500 598676538 /nfs/dbraw/zinc/67/65/38/598676538.db2.gz RWUROGAQQIASRO-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM CCN(Cc1nc2c(cccc2F)n1CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557045 598679532 /nfs/dbraw/zinc/67/95/32/598679532.db2.gz WEWQDMINVOKNDM-AWEZNQCLSA-N -1 3 393.470 3.959 20 0 GHADHM Cc1cc(C)cc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737249711 598696822 /nfs/dbraw/zinc/69/68/22/598696822.db2.gz BUGUCJNFUGMOBM-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1cc(C)cc(NC(=O)[C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737249711 598696824 /nfs/dbraw/zinc/69/68/24/598696824.db2.gz BUGUCJNFUGMOBM-ZDUSSCGKSA-N -1 3 385.468 3.883 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737216754 598697042 /nfs/dbraw/zinc/69/70/42/598697042.db2.gz XKHYKFFRRMXMGT-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM Cc1c(Cl)cccc1NC(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737216754 598697043 /nfs/dbraw/zinc/69/70/43/598697043.db2.gz XKHYKFFRRMXMGT-UHFFFAOYSA-N -1 3 391.859 3.840 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2ccccc2F)CCCC1 ZINC000738230030 598703528 /nfs/dbraw/zinc/70/35/28/598703528.db2.gz DIJBTWKCCBOLTH-UHFFFAOYSA-N -1 3 384.386 3.700 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2ccccc2F)CCCC1 ZINC000738230030 598703530 /nfs/dbraw/zinc/70/35/30/598703530.db2.gz DIJBTWKCCBOLTH-UHFFFAOYSA-N -1 3 384.386 3.700 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000737463231 598704806 /nfs/dbraw/zinc/70/48/06/598704806.db2.gz NJPDSXFOFXAVMW-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000737463231 598704808 /nfs/dbraw/zinc/70/48/08/598704808.db2.gz NJPDSXFOFXAVMW-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(SC(F)F)cc1 ZINC000738234382 598705650 /nfs/dbraw/zinc/70/56/50/598705650.db2.gz DZVAKMLKLKNBFP-UHFFFAOYSA-N -1 3 380.351 3.678 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(SC(F)F)cc1 ZINC000738234382 598705651 /nfs/dbraw/zinc/70/56/51/598705651.db2.gz DZVAKMLKLKNBFP-UHFFFAOYSA-N -1 3 380.351 3.678 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112526 598716701 /nfs/dbraw/zinc/71/67/01/598716701.db2.gz IZEARTLBSRKLSO-JVPBZIDWSA-N -1 3 376.464 3.563 20 0 GHADHM C[C@H](NC(=O)N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112526 598716703 /nfs/dbraw/zinc/71/67/03/598716703.db2.gz IZEARTLBSRKLSO-JVPBZIDWSA-N -1 3 376.464 3.563 20 0 GHADHM Fc1ccc(Br)cc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737651370 598723375 /nfs/dbraw/zinc/72/33/75/598723375.db2.gz RWTSOPTZMDFEPA-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM Fc1ccc(Br)cc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737651370 598723377 /nfs/dbraw/zinc/72/33/77/598723377.db2.gz RWTSOPTZMDFEPA-UHFFFAOYSA-N -1 3 399.227 3.680 20 0 GHADHM COc1ccc(C2(NC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000737076727 598725535 /nfs/dbraw/zinc/72/55/35/598725535.db2.gz LJEUIDWWPMZFQY-UHFFFAOYSA-N -1 3 396.426 3.605 20 0 GHADHM COc1ccc(C2(NC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000737076727 598725536 /nfs/dbraw/zinc/72/55/36/598725536.db2.gz LJEUIDWWPMZFQY-UHFFFAOYSA-N -1 3 396.426 3.605 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)c(Cl)nc1Cl ZINC000738163360 598734982 /nfs/dbraw/zinc/73/49/82/598734982.db2.gz MQUULRDJTGMYLH-UHFFFAOYSA-N -1 3 387.589 3.613 20 0 GHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)c(Cl)nc1Cl ZINC000738163360 598734983 /nfs/dbraw/zinc/73/49/83/598734983.db2.gz MQUULRDJTGMYLH-UHFFFAOYSA-N -1 3 387.589 3.613 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737425488 598734997 /nfs/dbraw/zinc/73/49/97/598734997.db2.gz AEEKCAQSYQNLKS-UHFFFAOYSA-N -1 3 390.472 3.870 20 0 GHADHM Cc1ccccc1CCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737425488 598734998 /nfs/dbraw/zinc/73/49/98/598734998.db2.gz AEEKCAQSYQNLKS-UHFFFAOYSA-N -1 3 390.472 3.870 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000736304803 598737226 /nfs/dbraw/zinc/73/72/26/598737226.db2.gz QSWLYAUXXQFJKQ-QXMHVHEDSA-N -1 3 385.374 3.900 20 0 GHADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000736304803 598737228 /nfs/dbraw/zinc/73/72/28/598737228.db2.gz QSWLYAUXXQFJKQ-QXMHVHEDSA-N -1 3 385.374 3.900 20 0 GHADHM C[C@@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735986806 598739463 /nfs/dbraw/zinc/73/94/63/598739463.db2.gz URTWEMTYWXWVFG-NJWFCXLTSA-N -1 3 392.459 3.809 20 0 GHADHM C[C@@H](CCCOCc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735986806 598739464 /nfs/dbraw/zinc/73/94/64/598739464.db2.gz URTWEMTYWXWVFG-NJWFCXLTSA-N -1 3 392.459 3.809 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737821034 598742217 /nfs/dbraw/zinc/74/22/17/598742217.db2.gz USZFEJHXMVVUGU-LBPRGKRZSA-N -1 3 399.401 3.602 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737821034 598742219 /nfs/dbraw/zinc/74/22/19/598742219.db2.gz USZFEJHXMVVUGU-LBPRGKRZSA-N -1 3 399.401 3.602 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737822476 598742343 /nfs/dbraw/zinc/74/23/43/598742343.db2.gz YYEPEGMRWDWKCK-LBPRGKRZSA-N -1 3 379.489 3.551 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737822476 598742344 /nfs/dbraw/zinc/74/23/44/598742344.db2.gz YYEPEGMRWDWKCK-LBPRGKRZSA-N -1 3 379.489 3.551 20 0 GHADHM O=C(c1cccc2ccccc21)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738278439 598747630 /nfs/dbraw/zinc/74/76/30/598747630.db2.gz KNYYZMFAZNLGOC-UHFFFAOYSA-N -1 3 399.454 3.704 20 0 GHADHM O=C(c1ccc2ccccc2c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738267970 598747936 /nfs/dbraw/zinc/74/79/36/598747936.db2.gz GXYSDZNFBHGXJE-UHFFFAOYSA-N -1 3 399.454 3.704 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736665505 598748365 /nfs/dbraw/zinc/74/83/65/598748365.db2.gz OWQSCSZIJUCVQC-CQSZACIVSA-N -1 3 391.545 3.563 20 0 GHADHM CCS[C@@H]1CCCCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736665505 598748368 /nfs/dbraw/zinc/74/83/68/598748368.db2.gz OWQSCSZIJUCVQC-CQSZACIVSA-N -1 3 391.545 3.563 20 0 GHADHM O=C(/C=C/C1CCOCC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737795495 598759926 /nfs/dbraw/zinc/75/99/26/598759926.db2.gz LCBXTOSVSIMBPK-JXMROGBWSA-N -1 3 390.443 3.560 20 0 GHADHM O=C(/C=C/C1CCOCC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737795495 598759928 /nfs/dbraw/zinc/75/99/28/598759928.db2.gz LCBXTOSVSIMBPK-JXMROGBWSA-N -1 3 390.443 3.560 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000736480593 598765711 /nfs/dbraw/zinc/76/57/11/598765711.db2.gz SOPKHYJGUVPSCE-MRXNPFEDSA-N -1 3 391.475 3.514 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000736480593 598765712 /nfs/dbraw/zinc/76/57/12/598765712.db2.gz SOPKHYJGUVPSCE-MRXNPFEDSA-N -1 3 391.475 3.514 20 0 GHADHM CN(Cc1ccc(F)cc1F)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736819009 598769736 /nfs/dbraw/zinc/76/97/36/598769736.db2.gz FGQAVWFPXGUFOB-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CN(Cc1ccc(F)cc1F)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736819009 598769737 /nfs/dbraw/zinc/76/97/37/598769737.db2.gz FGQAVWFPXGUFOB-UHFFFAOYSA-N -1 3 388.328 3.608 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735619052 598770371 /nfs/dbraw/zinc/77/03/71/598770371.db2.gz RMROVWKKGKAYNB-UHFFFAOYSA-N -1 3 378.480 3.625 20 0 GHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735619052 598770373 /nfs/dbraw/zinc/77/03/73/598770373.db2.gz RMROVWKKGKAYNB-UHFFFAOYSA-N -1 3 378.480 3.625 20 0 GHADHM COc1ccc(C)cc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000737078471 598770380 /nfs/dbraw/zinc/77/03/80/598770380.db2.gz YBZMYIDUNSQAGA-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM COc1ccc(C)cc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000737078471 598770381 /nfs/dbraw/zinc/77/03/81/598770381.db2.gz YBZMYIDUNSQAGA-UHFFFAOYSA-N -1 3 382.374 3.622 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCc3cccc4cccnc43)c2c1 ZINC000737651655 598771939 /nfs/dbraw/zinc/77/19/39/598771939.db2.gz MJCZSMJCJYPTOF-UHFFFAOYSA-N -1 3 389.369 3.853 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCc3cccc4cccnc43)c2c1 ZINC000737651655 598771941 /nfs/dbraw/zinc/77/19/41/598771941.db2.gz MJCZSMJCJYPTOF-UHFFFAOYSA-N -1 3 389.369 3.853 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737420170 598778585 /nfs/dbraw/zinc/77/85/85/598778585.db2.gz HCVGJMXPEGZQBQ-LJQANCHMSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737420170 598778587 /nfs/dbraw/zinc/77/85/87/598778587.db2.gz HCVGJMXPEGZQBQ-LJQANCHMSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737419131 598780020 /nfs/dbraw/zinc/78/00/20/598780020.db2.gz CPTUGQGOYQRCGY-KUHUBIRLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737419131 598780021 /nfs/dbraw/zinc/78/00/21/598780021.db2.gz CPTUGQGOYQRCGY-KUHUBIRLSA-N -1 3 376.464 3.687 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110247 598781473 /nfs/dbraw/zinc/78/14/73/598781473.db2.gz GSRYVVIQVRNYKE-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC(C)N(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110247 598781474 /nfs/dbraw/zinc/78/14/74/598781474.db2.gz GSRYVVIQVRNYKE-AWEZNQCLSA-N -1 3 382.443 3.687 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736212353 598782091 /nfs/dbraw/zinc/78/20/91/598782091.db2.gz WRLGESNTDYDETP-AWEZNQCLSA-N -1 3 378.436 3.827 20 0 GHADHM CC1(C)C[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736212353 598782092 /nfs/dbraw/zinc/78/20/92/598782092.db2.gz WRLGESNTDYDETP-AWEZNQCLSA-N -1 3 378.436 3.827 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000522251308 598783220 /nfs/dbraw/zinc/78/32/20/598783220.db2.gz CMKUBWLGUPJLKG-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000522251308 598783222 /nfs/dbraw/zinc/78/32/22/598783222.db2.gz CMKUBWLGUPJLKG-UHFFFAOYSA-N -1 3 377.379 3.837 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc43)c2-c2nnn[n-]2)C1 ZINC000736281829 598788797 /nfs/dbraw/zinc/78/87/97/598788797.db2.gz XSAZIACPQCCIEQ-SMDDNHRTSA-N -1 3 379.489 3.722 20 0 GHADHM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCc4ccccc43)c2-c2nn[n-]n2)C1 ZINC000736281829 598788799 /nfs/dbraw/zinc/78/87/99/598788799.db2.gz XSAZIACPQCCIEQ-SMDDNHRTSA-N -1 3 379.489 3.722 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)C1 ZINC000736261577 598789644 /nfs/dbraw/zinc/78/96/44/598789644.db2.gz KRCOXYPCBAZWKR-JKSUJKDBSA-N -1 3 395.463 3.588 20 0 GHADHM C[C@H]1CCC[C@@H](OCC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)C1 ZINC000736261577 598789647 /nfs/dbraw/zinc/78/96/47/598789647.db2.gz KRCOXYPCBAZWKR-JKSUJKDBSA-N -1 3 395.463 3.588 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC000738210412 598791439 /nfs/dbraw/zinc/79/14/39/598791439.db2.gz PGGITHWAAIMVDA-CQSZACIVSA-N -1 3 379.489 3.866 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC000738210412 598791441 /nfs/dbraw/zinc/79/14/41/598791441.db2.gz PGGITHWAAIMVDA-CQSZACIVSA-N -1 3 379.489 3.866 20 0 GHADHM COc1ccccc1N1CCC(Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737151200 598795047 /nfs/dbraw/zinc/79/50/47/598795047.db2.gz DGWMXRHAXNCXIH-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM COc1ccccc1N1CCC(Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737151200 598795049 /nfs/dbraw/zinc/79/50/49/598795049.db2.gz DGWMXRHAXNCXIH-UHFFFAOYSA-N -1 3 384.871 3.610 20 0 GHADHM COc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1Br ZINC000737095331 598796224 /nfs/dbraw/zinc/79/62/24/598796224.db2.gz ISCFFXCYMXPMEG-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM COc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1Br ZINC000737095331 598796225 /nfs/dbraw/zinc/79/62/25/598796225.db2.gz ISCFFXCYMXPMEG-UHFFFAOYSA-N -1 3 394.660 3.903 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113311 598798473 /nfs/dbraw/zinc/79/84/73/598798473.db2.gz NAVZQPBKIPEWHC-SGTLLEGYSA-N -1 3 398.417 3.753 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113311 598798475 /nfs/dbraw/zinc/79/84/75/598798475.db2.gz NAVZQPBKIPEWHC-SGTLLEGYSA-N -1 3 398.417 3.753 20 0 GHADHM c1coc(-c2c3c(nc(SCC4CCOCC4)c2-c2nnn[n-]2)CCC3)c1 ZINC000738448394 598800760 /nfs/dbraw/zinc/80/07/60/598800760.db2.gz OYPYTOUCYZZCFL-UHFFFAOYSA-N -1 3 383.477 3.529 20 0 GHADHM CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)cs2)cc1 ZINC000735922154 598803419 /nfs/dbraw/zinc/80/34/19/598803419.db2.gz GWOUHJVNVYYJHK-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)cs2)cc1 ZINC000735922154 598803421 /nfs/dbraw/zinc/80/34/21/598803421.db2.gz GWOUHJVNVYYJHK-UHFFFAOYSA-N -1 3 391.460 3.761 20 0 GHADHM O=C(c1ccccn1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738285906 598807814 /nfs/dbraw/zinc/80/78/14/598807814.db2.gz KCHYXYORKLKMAA-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(c1ccccn1)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738285906 598807816 /nfs/dbraw/zinc/80/78/16/598807816.db2.gz KCHYXYORKLKMAA-UHFFFAOYSA-N -1 3 390.834 3.762 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737805005 598816502 /nfs/dbraw/zinc/81/65/02/598816502.db2.gz FKEQULUTEGVZAD-BCTAIJSYSA-N -1 3 387.374 3.687 20 0 GHADHM O=C(C=Cc1cncc(F)c1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737805005 598816505 /nfs/dbraw/zinc/81/65/05/598816505.db2.gz FKEQULUTEGVZAD-BCTAIJSYSA-N -1 3 387.374 3.687 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Br)Nc1sccc1-c1nnn[n-]1 ZINC000737955669 598822179 /nfs/dbraw/zinc/82/21/79/598822179.db2.gz KCQMGNQVBZPRBG-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM O=C(Cc1ccc(Cl)cc1Br)Nc1sccc1-c1nn[n-]n1 ZINC000737955669 598822180 /nfs/dbraw/zinc/82/21/80/598822180.db2.gz KCQMGNQVBZPRBG-UHFFFAOYSA-N -1 3 398.673 3.525 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820067593 599293886 /nfs/dbraw/zinc/29/38/86/599293886.db2.gz LEPZQIQMGDXNJA-GFCCVEGCSA-N -1 3 382.390 3.928 20 0 GHADHM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820067593 599293887 /nfs/dbraw/zinc/29/38/87/599293887.db2.gz LEPZQIQMGDXNJA-GFCCVEGCSA-N -1 3 382.390 3.928 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(c1ccccc1F)C1CCCC1 ZINC000736178658 599303008 /nfs/dbraw/zinc/30/30/08/599303008.db2.gz BKRMQTFCYFTSCO-CQSZACIVSA-N -1 3 395.438 3.749 20 0 GHADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(c1ccccc1F)C1CCCC1 ZINC000736178658 599303010 /nfs/dbraw/zinc/30/30/10/599303010.db2.gz BKRMQTFCYFTSCO-CQSZACIVSA-N -1 3 395.438 3.749 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Nc2ccccc2)c1 ZINC000738101942 599304947 /nfs/dbraw/zinc/30/49/47/599304947.db2.gz LGORISBPNRRQPC-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Nc2ccccc2)c1 ZINC000738101942 599304949 /nfs/dbraw/zinc/30/49/49/599304949.db2.gz LGORISBPNRRQPC-UHFFFAOYSA-N -1 3 388.406 3.679 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736349269 599320630 /nfs/dbraw/zinc/32/06/30/599320630.db2.gz DXYZTCDBJRKOQZ-CYBMUJFWSA-N -1 3 376.386 3.738 20 0 GHADHM CC[C@H](Cc1ccccc1)N(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736349269 599320633 /nfs/dbraw/zinc/32/06/33/599320633.db2.gz DXYZTCDBJRKOQZ-CYBMUJFWSA-N -1 3 376.386 3.738 20 0 GHADHM C[C@H](SCc1nc(Cc2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192146 599326186 /nfs/dbraw/zinc/32/61/86/599326186.db2.gz KYXQFXSEOYTGIY-ZDUSSCGKSA-N -1 3 378.461 3.835 20 0 GHADHM C[C@H](SCc1nc(Cc2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192146 599326189 /nfs/dbraw/zinc/32/61/89/599326189.db2.gz KYXQFXSEOYTGIY-ZDUSSCGKSA-N -1 3 378.461 3.835 20 0 GHADHM Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1NC(=O)C(C)(C)C ZINC000737361381 599330108 /nfs/dbraw/zinc/33/01/08/599330108.db2.gz GPMZWWVLOSLJFP-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1NC(=O)C(C)(C)C ZINC000737361381 599330111 /nfs/dbraw/zinc/33/01/11/599330111.db2.gz GPMZWWVLOSLJFP-UHFFFAOYSA-N -1 3 394.479 3.651 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737153521 599331068 /nfs/dbraw/zinc/33/10/68/599331068.db2.gz SDUIYAUYZWZSMI-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1NC(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737153521 599331071 /nfs/dbraw/zinc/33/10/71/599331071.db2.gz SDUIYAUYZWZSMI-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM CCCC(=O)Nc1cccc(NCc2cc(-c3nnn[n-]3)ccc2OC)c1C ZINC000821008725 607370751 /nfs/dbraw/zinc/37/07/51/607370751.db2.gz KJUNYXHSLWDDCR-UHFFFAOYSA-N -1 3 380.452 3.534 20 0 GHADHM CCCC(=O)Nc1cccc(NCc2cc(-c3nn[n-]n3)ccc2OC)c1C ZINC000821008725 607370753 /nfs/dbraw/zinc/37/07/53/607370753.db2.gz KJUNYXHSLWDDCR-UHFFFAOYSA-N -1 3 380.452 3.534 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820351408 599401004 /nfs/dbraw/zinc/40/10/04/599401004.db2.gz OLDGPHDOAGHZMN-GJZGRUSLSA-N -1 3 390.491 3.867 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820351408 599401008 /nfs/dbraw/zinc/40/10/08/599401008.db2.gz OLDGPHDOAGHZMN-GJZGRUSLSA-N -1 3 390.491 3.867 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1N(C)C1CCCC1 ZINC000821736519 607373705 /nfs/dbraw/zinc/37/37/05/607373705.db2.gz LQAOBNITXLXVAA-UHFFFAOYSA-N -1 3 378.480 3.866 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1N(C)C1CCCC1 ZINC000821736519 607373707 /nfs/dbraw/zinc/37/37/07/607373707.db2.gz LQAOBNITXLXVAA-UHFFFAOYSA-N -1 3 378.480 3.866 20 0 GHADHM C[C@@H](NC(=O)NCCc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820364903 599408124 /nfs/dbraw/zinc/40/81/24/599408124.db2.gz GDJDNGIKVHKXCO-OAHLLOKOSA-N -1 3 386.459 3.623 20 0 GHADHM C[C@@H](NC(=O)NCCc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820364903 599408127 /nfs/dbraw/zinc/40/81/27/599408127.db2.gz GDJDNGIKVHKXCO-OAHLLOKOSA-N -1 3 386.459 3.623 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339233 599419642 /nfs/dbraw/zinc/41/96/42/599419642.db2.gz AIWSOHOAOLZLDN-SJCJKPOMSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339233 599419644 /nfs/dbraw/zinc/41/96/44/599419644.db2.gz AIWSOHOAOLZLDN-SJCJKPOMSA-N -1 3 382.855 3.738 20 0 GHADHM Fc1cccc(C[C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2cccc(F)c2)c1 ZINC000822786275 599423648 /nfs/dbraw/zinc/42/36/48/599423648.db2.gz HFIILFZCFYBKEI-GOSISDBHSA-N -1 3 381.386 3.812 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821128709 599425089 /nfs/dbraw/zinc/42/50/89/599425089.db2.gz ZYKXKPNXSCHKOA-CABCVRRESA-N -1 3 394.479 3.777 20 0 GHADHM CCCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821128709 599425092 /nfs/dbraw/zinc/42/50/92/599425092.db2.gz ZYKXKPNXSCHKOA-CABCVRRESA-N -1 3 394.479 3.777 20 0 GHADHM Fc1ccc([C@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737647532 599428304 /nfs/dbraw/zinc/42/83/04/599428304.db2.gz GBVYAKHHQZZLHH-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM Fc1ccc([C@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)cc1Cl ZINC000737647532 599428306 /nfs/dbraw/zinc/42/83/06/599428306.db2.gz GBVYAKHHQZZLHH-MRXNPFEDSA-N -1 3 394.237 3.891 20 0 GHADHM CC(C)CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(C)(C)C ZINC000820072724 599441014 /nfs/dbraw/zinc/44/10/14/599441014.db2.gz LSEKBLAYEWPRNR-MRXNPFEDSA-N -1 3 376.480 3.656 20 0 GHADHM CC(C)CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(C)(C)C ZINC000820072724 599441015 /nfs/dbraw/zinc/44/10/15/599441015.db2.gz LSEKBLAYEWPRNR-MRXNPFEDSA-N -1 3 376.480 3.656 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000821015037 599445151 /nfs/dbraw/zinc/44/51/51/599445151.db2.gz NCXZWVKTYJALAB-CQSZACIVSA-N -1 3 397.483 3.681 20 0 GHADHM CCC[C@@H](C)c1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000821015037 599445152 /nfs/dbraw/zinc/44/51/52/599445152.db2.gz NCXZWVKTYJALAB-CQSZACIVSA-N -1 3 397.483 3.681 20 0 GHADHM Fc1ccc(-c2csc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)n2)cc1 ZINC000737654172 599461402 /nfs/dbraw/zinc/46/14/02/599461402.db2.gz YKJOREGCRVEPJO-SOFGYWHQSA-N -1 3 389.419 3.947 20 0 GHADHM Fc1ccc(-c2csc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)n2)cc1 ZINC000737654172 599461403 /nfs/dbraw/zinc/46/14/03/599461403.db2.gz YKJOREGCRVEPJO-SOFGYWHQSA-N -1 3 389.419 3.947 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736236660 599472038 /nfs/dbraw/zinc/47/20/38/599472038.db2.gz SQSNBRANDCEFGB-PWSUYJOCSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736236660 599472040 /nfs/dbraw/zinc/47/20/40/599472040.db2.gz SQSNBRANDCEFGB-PWSUYJOCSA-N -1 3 392.360 3.802 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351223 599477548 /nfs/dbraw/zinc/47/75/48/599477548.db2.gz NAHIIZBLYCQTKF-WMZOPIPTSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351223 599477551 /nfs/dbraw/zinc/47/75/51/599477551.db2.gz NAHIIZBLYCQTKF-WMZOPIPTSA-N -1 3 390.491 3.907 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820340457 599480354 /nfs/dbraw/zinc/48/03/54/599480354.db2.gz KWPALJJJWPKEIO-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820340457 599480356 /nfs/dbraw/zinc/48/03/56/599480356.db2.gz KWPALJJJWPKEIO-LLVKDONJSA-N -1 3 388.834 3.562 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350454 599482544 /nfs/dbraw/zinc/48/25/44/599482544.db2.gz DAJYUKGUXRZBHD-GPMSIDNRSA-N -1 3 390.491 3.824 20 0 GHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350454 599482545 /nfs/dbraw/zinc/48/25/45/599482545.db2.gz DAJYUKGUXRZBHD-GPMSIDNRSA-N -1 3 390.491 3.824 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821504783 599483996 /nfs/dbraw/zinc/48/39/96/599483996.db2.gz KLDADROEXLWUCU-YPMHNXCESA-N -1 3 399.524 3.658 20 0 GHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821504783 599483999 /nfs/dbraw/zinc/48/39/99/599483999.db2.gz KLDADROEXLWUCU-YPMHNXCESA-N -1 3 399.524 3.658 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820339254 599484985 /nfs/dbraw/zinc/48/49/85/599484985.db2.gz ANTRGMZSIJFOBS-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820339254 599484987 /nfs/dbraw/zinc/48/49/87/599484987.db2.gz ANTRGMZSIJFOBS-DOXZYTNZSA-N -1 3 376.464 3.515 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299240 599486580 /nfs/dbraw/zinc/48/65/80/599486580.db2.gz CFYTZSULWLYWCB-BEFAXECRSA-N -1 3 376.464 3.783 20 0 GHADHM Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299240 599486582 /nfs/dbraw/zinc/48/65/82/599486582.db2.gz CFYTZSULWLYWCB-BEFAXECRSA-N -1 3 376.464 3.783 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820689652 599494062 /nfs/dbraw/zinc/49/40/62/599494062.db2.gz AHJKSWFBHZCGOX-KSSFIOAISA-N -1 3 378.432 3.787 20 0 GHADHM C[C@H]1CC[C@@H](CCC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820689652 599494063 /nfs/dbraw/zinc/49/40/63/599494063.db2.gz AHJKSWFBHZCGOX-KSSFIOAISA-N -1 3 378.432 3.787 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCS1 ZINC000822206103 599495827 /nfs/dbraw/zinc/49/58/27/599495827.db2.gz UPYCKHGOPKZPNB-GOSISDBHSA-N -1 3 397.479 3.743 20 0 GHADHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCS1 ZINC000822206103 599495828 /nfs/dbraw/zinc/49/58/28/599495828.db2.gz UPYCKHGOPKZPNB-GOSISDBHSA-N -1 3 397.479 3.743 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000820384602 599498850 /nfs/dbraw/zinc/49/88/50/599498850.db2.gz IVIKASNDNMBZOW-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000820384602 599498853 /nfs/dbraw/zinc/49/88/53/599498853.db2.gz IVIKASNDNMBZOW-NSHDSACASA-N -1 3 394.822 3.666 20 0 GHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(OC4CCCC4)CC3)c2c1 ZINC000822581549 599509010 /nfs/dbraw/zinc/50/90/10/599509010.db2.gz JIDQUHSMNMCSQK-UHFFFAOYSA-N -1 3 398.898 3.996 20 0 GHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(OC4CCCC4)CC3)c2c1 ZINC000822581549 599509013 /nfs/dbraw/zinc/50/90/13/599509013.db2.gz JIDQUHSMNMCSQK-UHFFFAOYSA-N -1 3 398.898 3.996 20 0 GHADHM Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000737358982 599510321 /nfs/dbraw/zinc/51/03/21/599510321.db2.gz CLIBBIBTVRWXEX-CYBMUJFWSA-N -1 3 396.520 3.945 20 0 GHADHM Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000737358982 599510325 /nfs/dbraw/zinc/51/03/25/599510325.db2.gz CLIBBIBTVRWXEX-CYBMUJFWSA-N -1 3 396.520 3.945 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820875809 599512480 /nfs/dbraw/zinc/51/24/80/599512480.db2.gz GHUCAQCQISNREN-XADBSNKSSA-N -1 3 391.475 3.935 20 0 GHADHM CC[C@H](C)Oc1ccccc1C=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820875809 599512483 /nfs/dbraw/zinc/51/24/83/599512483.db2.gz GHUCAQCQISNREN-XADBSNKSSA-N -1 3 391.475 3.935 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822419304 599518189 /nfs/dbraw/zinc/51/81/89/599518189.db2.gz PDPIYVJYEVPNCT-CQSZACIVSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822419304 599518191 /nfs/dbraw/zinc/51/81/91/599518191.db2.gz PDPIYVJYEVPNCT-CQSZACIVSA-N -1 3 384.443 3.728 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335372 599519425 /nfs/dbraw/zinc/51/94/25/599519425.db2.gz XETWVGVOSROTBY-INIZCTEOSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335372 599519427 /nfs/dbraw/zinc/51/94/27/599519427.db2.gz XETWVGVOSROTBY-INIZCTEOSA-N -1 3 383.455 3.954 20 0 GHADHM COCCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737013880 599521335 /nfs/dbraw/zinc/52/13/35/599521335.db2.gz MMQMGTVRAHHKEA-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821790680 599524275 /nfs/dbraw/zinc/52/42/75/599524275.db2.gz QVCKBWIAVUEEEH-MRXNPFEDSA-N -1 3 393.491 3.856 20 0 GHADHM COc1ccc(CCCCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821790680 599524276 /nfs/dbraw/zinc/52/42/76/599524276.db2.gz QVCKBWIAVUEEEH-MRXNPFEDSA-N -1 3 393.491 3.856 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820192471 599524902 /nfs/dbraw/zinc/52/49/02/599524902.db2.gz PFZSWXBVHCHQFH-UAOJZALGSA-N -1 3 375.476 3.971 20 0 GHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820192471 599524904 /nfs/dbraw/zinc/52/49/04/599524904.db2.gz PFZSWXBVHCHQFH-UAOJZALGSA-N -1 3 375.476 3.971 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234001 599526819 /nfs/dbraw/zinc/52/68/19/599526819.db2.gz ZMWSMORHIJFVDJ-XPGWFJOJSA-N -1 3 391.475 3.520 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234001 599526822 /nfs/dbraw/zinc/52/68/22/599526822.db2.gz ZMWSMORHIJFVDJ-XPGWFJOJSA-N -1 3 391.475 3.520 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391109 599531658 /nfs/dbraw/zinc/53/16/58/599531658.db2.gz NFOCBPYNWKDNNZ-CYBMUJFWSA-N -1 3 382.427 3.992 20 0 GHADHM C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391109 599531660 /nfs/dbraw/zinc/53/16/60/599531660.db2.gz NFOCBPYNWKDNNZ-CYBMUJFWSA-N -1 3 382.427 3.992 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F ZINC000826251623 607382963 /nfs/dbraw/zinc/38/29/63/607382963.db2.gz VXHPCRYDJKAGGY-LLVKDONJSA-N -1 3 398.373 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F ZINC000826251623 607382965 /nfs/dbraw/zinc/38/29/65/607382965.db2.gz VXHPCRYDJKAGGY-LLVKDONJSA-N -1 3 398.373 3.838 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1cccs1 ZINC000735570604 599541369 /nfs/dbraw/zinc/54/13/69/599541369.db2.gz OIZIITRYHHNXIM-NSHDSACASA-N -1 3 396.501 3.718 20 0 GHADHM C[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1cccs1 ZINC000735570604 599541370 /nfs/dbraw/zinc/54/13/70/599541370.db2.gz OIZIITRYHHNXIM-NSHDSACASA-N -1 3 396.501 3.718 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000736059700 599542133 /nfs/dbraw/zinc/54/21/33/599542133.db2.gz VRPCBFDRTPNWNB-HNNXBMFYSA-N -1 3 381.455 3.622 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000736059700 599542135 /nfs/dbraw/zinc/54/21/35/599542135.db2.gz VRPCBFDRTPNWNB-HNNXBMFYSA-N -1 3 381.455 3.622 20 0 GHADHM O=C(CC/C=C/c1ccccc1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737827623 599542981 /nfs/dbraw/zinc/54/29/81/599542981.db2.gz ZYWSRJCJASAIMG-ONNFQVAWSA-N -1 3 393.516 3.710 20 0 GHADHM O=C(CC/C=C/c1ccccc1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737827623 599542984 /nfs/dbraw/zinc/54/29/84/599542984.db2.gz ZYWSRJCJASAIMG-ONNFQVAWSA-N -1 3 393.516 3.710 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736059493 599544095 /nfs/dbraw/zinc/54/40/95/599544095.db2.gz TWRAHHIBODGHFU-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736059493 599544097 /nfs/dbraw/zinc/54/40/97/599544097.db2.gz TWRAHHIBODGHFU-JTQLQIEISA-N -1 3 393.344 3.842 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000823690803 599545938 /nfs/dbraw/zinc/54/59/38/599545938.db2.gz VBHGQSAHKLDXJG-CYBMUJFWSA-N -1 3 383.761 3.684 20 0 GHADHM O[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000823690803 599545940 /nfs/dbraw/zinc/54/59/40/599545940.db2.gz VBHGQSAHKLDXJG-CYBMUJFWSA-N -1 3 383.761 3.684 20 0 GHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820686563 599547650 /nfs/dbraw/zinc/54/76/50/599547650.db2.gz YKGVAIXARALZMR-GJZGRUSLSA-N -1 3 376.464 3.871 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737319775 599553568 /nfs/dbraw/zinc/55/35/68/599553568.db2.gz GRUPURWRUNLUEM-KRWDZBQOSA-N -1 3 393.491 3.644 20 0 GHADHM Cc1ccc([C@@H](C)CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737319775 599553569 /nfs/dbraw/zinc/55/35/69/599553569.db2.gz GRUPURWRUNLUEM-KRWDZBQOSA-N -1 3 393.491 3.644 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737327881 599558033 /nfs/dbraw/zinc/55/80/33/599558033.db2.gz CJZDOFWPTYXXRP-HRAATJIYSA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737327881 599558034 /nfs/dbraw/zinc/55/80/34/599558034.db2.gz CJZDOFWPTYXXRP-HRAATJIYSA-N -1 3 391.475 3.554 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000738272823 599566232 /nfs/dbraw/zinc/56/62/32/599566232.db2.gz FVORUCHHBLAZLM-FQEVSTJZSA-N -1 3 399.458 3.916 20 0 GHADHM O=C(c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)N1CCOc2ccccc21 ZINC000738273542 599566665 /nfs/dbraw/zinc/56/66/65/599566665.db2.gz LVPJTPGRRZHWAR-UHFFFAOYSA-N -1 3 398.426 3.650 20 0 GHADHM Cc1ccccc1-c1cnc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000822340783 599568503 /nfs/dbraw/zinc/56/85/03/599568503.db2.gz HPKMZNZCPVNEBK-UHFFFAOYSA-N -1 3 386.459 3.995 20 0 GHADHM Cc1ccccc1-c1cnc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)o1 ZINC000822340783 599568505 /nfs/dbraw/zinc/56/85/05/599568505.db2.gz HPKMZNZCPVNEBK-UHFFFAOYSA-N -1 3 386.459 3.995 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](Cc4ccccc4)C3)c2c1 ZINC000822753269 599580711 /nfs/dbraw/zinc/58/07/11/599580711.db2.gz LBSSCUJYBIBBFV-CQSZACIVSA-N -1 3 392.413 3.762 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[C@H](Cc4ccccc4)C3)c2c1 ZINC000822753269 599580712 /nfs/dbraw/zinc/58/07/12/599580712.db2.gz LBSSCUJYBIBBFV-CQSZACIVSA-N -1 3 392.413 3.762 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NC(c1cccs1)c1cccs1 ZINC000738102158 599601441 /nfs/dbraw/zinc/60/14/41/599601441.db2.gz PYGZUFROSZKOHQ-UHFFFAOYSA-N -1 3 396.501 3.579 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NC(c1cccs1)c1cccs1 ZINC000738102158 599601443 /nfs/dbraw/zinc/60/14/43/599601443.db2.gz PYGZUFROSZKOHQ-UHFFFAOYSA-N -1 3 396.501 3.579 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(-c2cscn2)c1 ZINC000823387669 599629090 /nfs/dbraw/zinc/62/90/90/599629090.db2.gz TXMMXKAFAXNJHE-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(-c2cscn2)c1 ZINC000823387669 599629091 /nfs/dbraw/zinc/62/90/91/599629091.db2.gz TXMMXKAFAXNJHE-UHFFFAOYSA-N -1 3 394.485 3.793 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820937921 599630159 /nfs/dbraw/zinc/63/01/59/599630159.db2.gz FIAPXJNOWDGJOP-BMFZPTHFSA-N -1 3 388.516 3.736 20 0 GHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820937921 599630160 /nfs/dbraw/zinc/63/01/60/599630160.db2.gz FIAPXJNOWDGJOP-BMFZPTHFSA-N -1 3 388.516 3.736 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)O1 ZINC000820690235 599630309 /nfs/dbraw/zinc/63/03/09/599630309.db2.gz HUIQXZDXWXXSNR-TZMCWYRMSA-N -1 3 383.477 3.881 20 0 GHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)O1 ZINC000820690235 599630310 /nfs/dbraw/zinc/63/03/10/599630310.db2.gz HUIQXZDXWXXSNR-TZMCWYRMSA-N -1 3 383.477 3.881 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)s1 ZINC000821466786 599630634 /nfs/dbraw/zinc/63/06/34/599630634.db2.gz ZOHDRNNWLCOGHO-ZOWXZIJZSA-N -1 3 377.514 3.803 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)s1 ZINC000821466786 599630635 /nfs/dbraw/zinc/63/06/35/599630635.db2.gz ZOHDRNNWLCOGHO-ZOWXZIJZSA-N -1 3 377.514 3.803 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822293566 599630690 /nfs/dbraw/zinc/63/06/90/599630690.db2.gz CKHMZAXRUFLQGI-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cccc(C)c1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822293566 599630691 /nfs/dbraw/zinc/63/06/91/599630691.db2.gz CKHMZAXRUFLQGI-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1cc(F)cc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822203482 599630935 /nfs/dbraw/zinc/63/09/35/599630935.db2.gz WHVZPGCOIZUHMZ-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM Cc1cc(F)cc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822203482 599630936 /nfs/dbraw/zinc/63/09/36/599630936.db2.gz WHVZPGCOIZUHMZ-UHFFFAOYSA-N -1 3 377.379 3.754 20 0 GHADHM O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823041253 599633225 /nfs/dbraw/zinc/63/32/25/599633225.db2.gz WEDKUARUSQEYQF-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823041253 599633226 /nfs/dbraw/zinc/63/32/26/599633226.db2.gz WEDKUARUSQEYQF-UHFFFAOYSA-N -1 3 397.744 3.556 20 0 GHADHM Cc1ccccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822366664 599633667 /nfs/dbraw/zinc/63/36/67/599633667.db2.gz RQLKEINKRTZBMU-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM Cc1ccccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822366664 599633668 /nfs/dbraw/zinc/63/36/68/599633668.db2.gz RQLKEINKRTZBMU-UHFFFAOYSA-N -1 3 393.394 3.925 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2ncccc2c1 ZINC000823303470 599634036 /nfs/dbraw/zinc/63/40/36/599634036.db2.gz JJZACIURKYJSBT-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2ncccc2c1 ZINC000823303470 599634037 /nfs/dbraw/zinc/63/40/37/599634037.db2.gz JJZACIURKYJSBT-UHFFFAOYSA-N -1 3 384.321 3.686 20 0 GHADHM CCCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000821109282 599638385 /nfs/dbraw/zinc/63/83/85/599638385.db2.gz FTAJSJHWEJGWSJ-UHFFFAOYSA-N -1 3 395.854 3.987 20 0 GHADHM CCCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000821109282 599638386 /nfs/dbraw/zinc/63/83/86/599638386.db2.gz FTAJSJHWEJGWSJ-UHFFFAOYSA-N -1 3 395.854 3.987 20 0 GHADHM Cc1ccccc1-c1cnc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822340720 599652134 /nfs/dbraw/zinc/65/21/34/599652134.db2.gz DRCJXPNVRIDONY-ZHACJKMWSA-N -1 3 387.399 3.587 20 0 GHADHM Cc1ccccc1-c1cnc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822340720 599652135 /nfs/dbraw/zinc/65/21/35/599652135.db2.gz DRCJXPNVRIDONY-ZHACJKMWSA-N -1 3 387.399 3.587 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821016463 599661451 /nfs/dbraw/zinc/66/14/51/599661451.db2.gz WXQSGFXXYSEWKM-GOEBONIOSA-N -1 3 399.495 3.734 20 0 GHADHM CCC[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821016463 599661452 /nfs/dbraw/zinc/66/14/52/599661452.db2.gz WXQSGFXXYSEWKM-GOEBONIOSA-N -1 3 399.495 3.734 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822233786 599670715 /nfs/dbraw/zinc/67/07/15/599670715.db2.gz VBFBMHGWQWUMPM-WMLDXEAASA-N -1 3 380.452 3.766 20 0 GHADHM Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822233786 599670716 /nfs/dbraw/zinc/67/07/16/599670716.db2.gz VBFBMHGWQWUMPM-WMLDXEAASA-N -1 3 380.452 3.766 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000820192294 599673610 /nfs/dbraw/zinc/67/36/10/599673610.db2.gz IFDSVXLIAACCIM-UHFFFAOYSA-N -1 3 396.470 3.864 20 0 GHADHM CC(C)c1ccc(C(C)(C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000820192294 599673611 /nfs/dbraw/zinc/67/36/11/599673611.db2.gz IFDSVXLIAACCIM-UHFFFAOYSA-N -1 3 396.470 3.864 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820847331 599682861 /nfs/dbraw/zinc/68/28/61/599682861.db2.gz AJVKLGWSJCBDAO-AWEZNQCLSA-N -1 3 399.520 3.594 20 0 GHADHM CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820847331 599682862 /nfs/dbraw/zinc/68/28/62/599682862.db2.gz AJVKLGWSJCBDAO-AWEZNQCLSA-N -1 3 399.520 3.594 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820548907 599689575 /nfs/dbraw/zinc/68/95/75/599689575.db2.gz HZBSILAZBUISQN-SECBINFHSA-N -1 3 385.840 3.818 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820548907 599689576 /nfs/dbraw/zinc/68/95/76/599689576.db2.gz HZBSILAZBUISQN-SECBINFHSA-N -1 3 385.840 3.818 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)CCOc2ccccc2)c1-c1nnn[n-]1 ZINC000821465803 599689828 /nfs/dbraw/zinc/68/98/28/599689828.db2.gz PZSCBKUAIXOTTM-LBPRGKRZSA-N -1 3 385.493 3.843 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@@H](C)CCOc2ccccc2)c1-c1nn[n-]n1 ZINC000821465803 599689829 /nfs/dbraw/zinc/68/98/29/599689829.db2.gz PZSCBKUAIXOTTM-LBPRGKRZSA-N -1 3 385.493 3.843 20 0 GHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000823450300 599692932 /nfs/dbraw/zinc/69/29/32/599692932.db2.gz NKGSUMLMXWZYMX-UHFFFAOYSA-N -1 3 383.820 3.863 20 0 GHADHM CSCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821970213 607399425 /nfs/dbraw/zinc/39/94/25/607399425.db2.gz LLMBPVTYGGLGKW-UHFFFAOYSA-N -1 3 383.477 3.769 20 0 GHADHM CSCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821970213 607399427 /nfs/dbraw/zinc/39/94/27/607399427.db2.gz LLMBPVTYGGLGKW-UHFFFAOYSA-N -1 3 383.477 3.769 20 0 GHADHM Cc1oc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C(=O)[O-] ZINC000574763493 599851487 /nfs/dbraw/zinc/85/14/87/599851487.db2.gz UWEKUWFYSIJIRB-CQSZACIVSA-N -1 3 385.395 3.855 20 0 GHADHM O=C([O-])N1CCC[C@@H](NCc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000739927845 599860648 /nfs/dbraw/zinc/86/06/48/599860648.db2.gz RQHWIXFGPZNCGF-CQSZACIVSA-N -1 3 379.254 3.941 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1-c1nnn[n-]1 ZINC000820170237 607402204 /nfs/dbraw/zinc/40/22/04/607402204.db2.gz VHWRJBKICFKMNI-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1-c1nn[n-]n1 ZINC000820170237 607402207 /nfs/dbraw/zinc/40/22/07/607402207.db2.gz VHWRJBKICFKMNI-UHFFFAOYSA-N -1 3 381.367 3.792 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274642 607402755 /nfs/dbraw/zinc/40/27/55/607402755.db2.gz DMJWGSOEITYTLU-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM Cc1ccc2c(CC(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274642 607402757 /nfs/dbraw/zinc/40/27/57/607402757.db2.gz DMJWGSOEITYTLU-UHFFFAOYSA-N -1 3 390.447 3.625 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000821142704 607402827 /nfs/dbraw/zinc/40/28/27/607402827.db2.gz MCOBUDGIZKXUHT-UHFFFAOYSA-N -1 3 386.481 3.624 20 0 GHADHM CCCc1nc(C)c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000821142704 607402828 /nfs/dbraw/zinc/40/28/28/607402828.db2.gz MCOBUDGIZKXUHT-UHFFFAOYSA-N -1 3 386.481 3.624 20 0 GHADHM CN(C)Cc1cccc(NC(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000737370482 599880763 /nfs/dbraw/zinc/88/07/63/599880763.db2.gz LXSRODDWHHGQOO-UHFFFAOYSA-N -1 3 383.473 3.983 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826234212 607422319 /nfs/dbraw/zinc/42/23/19/607422319.db2.gz MNDBIZZZGSHTSU-UHFFFAOYSA-N -1 3 393.834 3.994 20 0 GHADHM Cc1c2cc(Cl)ccc2oc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826234212 607422321 /nfs/dbraw/zinc/42/23/21/607422321.db2.gz MNDBIZZZGSHTSU-UHFFFAOYSA-N -1 3 393.834 3.994 20 0 GHADHM CC(C)CNC(=O)c1cccc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000736440121 600128040 /nfs/dbraw/zinc/12/80/40/600128040.db2.gz KDEVOIFCXKTLLB-UHFFFAOYSA-N -1 3 388.895 3.813 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000822236170 607424875 /nfs/dbraw/zinc/42/48/75/607424875.db2.gz MQYPTMJHNICMMC-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1ccc(CN(C)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000822236170 607424878 /nfs/dbraw/zinc/42/48/78/607424878.db2.gz MQYPTMJHNICMMC-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM CCC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccn1 ZINC000821021812 607428393 /nfs/dbraw/zinc/42/83/93/607428393.db2.gz PFAAXGKBXBOKFN-KRWDZBQOSA-N -1 3 395.467 3.712 20 0 GHADHM CCC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccn1 ZINC000821021812 607428395 /nfs/dbraw/zinc/42/83/95/607428395.db2.gz PFAAXGKBXBOKFN-KRWDZBQOSA-N -1 3 395.467 3.712 20 0 GHADHM Cc1oc(CN(C)CCC(=O)Nc2cccc(Br)c2)cc1C(=O)[O-] ZINC000738967506 600242189 /nfs/dbraw/zinc/24/21/89/600242189.db2.gz VYTDQXHUBJRJEI-UHFFFAOYSA-N -1 3 395.253 3.509 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000737367653 600410539 /nfs/dbraw/zinc/41/05/39/600410539.db2.gz ATTQFMLYVBYGPI-UHFFFAOYSA-N -1 3 396.443 3.990 20 0 GHADHM CCCC(O)(CCC)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825242731 607461534 /nfs/dbraw/zinc/46/15/34/607461534.db2.gz ZNSVZEVAJKMPKY-UHFFFAOYSA-N -1 3 387.528 3.573 20 0 GHADHM CCCC(O)(CCC)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825242731 607461535 /nfs/dbraw/zinc/46/15/35/607461535.db2.gz ZNSVZEVAJKMPKY-UHFFFAOYSA-N -1 3 387.528 3.573 20 0 GHADHM O=C([O-])[C@H](NCCN1CCc2sccc2C1)c1ccc(Cl)cc1Cl ZINC000833165250 600742455 /nfs/dbraw/zinc/74/24/55/600742455.db2.gz HCIFVMRKWVCQCB-MRXNPFEDSA-N -1 3 385.316 3.829 20 0 GHADHM Clc1ccc([C@@H]2CCCN2Cc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826351584 607487448 /nfs/dbraw/zinc/48/74/48/607487448.db2.gz RXKFYFBDIJKMBI-INIZCTEOSA-N -1 3 375.263 3.906 20 0 GHADHM Clc1ccc([C@@H]2CCCN2Cc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826351584 607487450 /nfs/dbraw/zinc/48/74/50/607487450.db2.gz RXKFYFBDIJKMBI-INIZCTEOSA-N -1 3 375.263 3.906 20 0 GHADHM O=C([O-])c1ccc(OCCN[C@@H](Cn2cccn2)c2ccccc2)c(Cl)c1 ZINC000833321513 601321550 /nfs/dbraw/zinc/32/15/50/601321550.db2.gz WDZXWBZNSMWJAU-SFHVURJKSA-N -1 3 385.851 3.645 20 0 GHADHM O=C([O-])c1cccc(OCc2noc(C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000833332179 601366432 /nfs/dbraw/zinc/36/64/32/601366432.db2.gz JKCLWDQZCGXVIL-UHFFFAOYSA-N -1 3 393.443 3.726 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820292391 607505124 /nfs/dbraw/zinc/50/51/24/607505124.db2.gz FBLPKTVDSAIBRX-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820292391 607505126 /nfs/dbraw/zinc/50/51/26/607505126.db2.gz FBLPKTVDSAIBRX-ZDUSSCGKSA-N -1 3 386.452 3.619 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccnc(-c3nnn[n-]3)c1)[C@@H](c1ccccc1)C2 ZINC000826213410 607515541 /nfs/dbraw/zinc/51/55/41/607515541.db2.gz WEYDMHSIFRMBDU-JOCHJYFZSA-N -1 3 398.470 3.570 20 0 GHADHM COc1ccc2c(c1)CN(Cc1ccnc(-c3nn[n-]n3)c1)[C@@H](c1ccccc1)C2 ZINC000826213410 607515542 /nfs/dbraw/zinc/51/55/42/607515542.db2.gz WEYDMHSIFRMBDU-JOCHJYFZSA-N -1 3 398.470 3.570 20 0 GHADHM CCN(Cc1noc(C2CCCCC2)n1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443237 607518990 /nfs/dbraw/zinc/51/89/90/607518990.db2.gz AMMQOPAQCDGAAN-CQSZACIVSA-N -1 3 381.484 3.881 20 0 GHADHM CCN(Cc1noc(C2CCCCC2)n1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825443237 607518991 /nfs/dbraw/zinc/51/89/91/607518991.db2.gz AMMQOPAQCDGAAN-CQSZACIVSA-N -1 3 381.484 3.881 20 0 GHADHM CCN(C(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000829597351 601652483 /nfs/dbraw/zinc/65/24/83/601652483.db2.gz MGPJRNHEDAUGPW-ZOCZFRKYSA-N -1 3 386.467 3.787 20 0 GHADHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000826054489 601653289 /nfs/dbraw/zinc/65/32/89/601653289.db2.gz NLFBNFSOCKVRRS-PXAZEXFGSA-N -1 3 380.366 3.696 20 0 GHADHM O=C([O-])Nc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000740026985 601910373 /nfs/dbraw/zinc/91/03/73/601910373.db2.gz IOZZXTLKNGORHV-UHFFFAOYSA-N -1 3 381.476 3.557 20 0 GHADHM COc1ccc(CSCc2nc(-c3cccc(C)c3)no2)cc1-c1nnn[n-]1 ZINC000826208053 607534280 /nfs/dbraw/zinc/53/42/80/607534280.db2.gz QWAUYFFRSRTMPU-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1ccc(CSCc2nc(-c3cccc(C)c3)no2)cc1-c1nn[n-]n1 ZINC000826208053 607534283 /nfs/dbraw/zinc/53/42/83/607534283.db2.gz QWAUYFFRSRTMPU-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM O=C([O-])c1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)s1 ZINC000833315187 601944000 /nfs/dbraw/zinc/94/40/00/601944000.db2.gz UDJFVASXTAMAEF-UHFFFAOYSA-N -1 3 394.880 3.656 20 0 GHADHM COc1cc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)ccc1C ZINC000826176957 607539399 /nfs/dbraw/zinc/53/93/99/607539399.db2.gz LMEZKDQIBHNWRI-UHFFFAOYSA-N -1 3 398.423 3.665 20 0 GHADHM COc1cc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)ccc1C ZINC000826176957 607539401 /nfs/dbraw/zinc/53/94/01/607539401.db2.gz LMEZKDQIBHNWRI-UHFFFAOYSA-N -1 3 398.423 3.665 20 0 GHADHM COc1ccc(Cn2nc(C)nc2-c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826208308 607546027 /nfs/dbraw/zinc/54/60/27/607546027.db2.gz DHHASXQCVHEXTK-UHFFFAOYSA-N -1 3 397.442 3.644 20 0 GHADHM COc1ccc(Cn2nc(C)nc2-c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826208308 607546029 /nfs/dbraw/zinc/54/60/29/607546029.db2.gz DHHASXQCVHEXTK-UHFFFAOYSA-N -1 3 397.442 3.644 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000832048981 602163483 /nfs/dbraw/zinc/16/34/83/602163483.db2.gz BVBHKWZHQDMJRV-APPDUMDISA-N -1 3 394.265 3.943 20 0 GHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])c1 ZINC000832050312 602165475 /nfs/dbraw/zinc/16/54/75/602165475.db2.gz OPVWVBGFGUXNJM-RNODOKPDSA-N -1 3 398.459 3.529 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827687384 602244618 /nfs/dbraw/zinc/24/46/18/602244618.db2.gz LIQJGUHIYYWVIM-DZGCQCFKSA-N -1 3 380.460 3.649 20 0 GHADHM CCN(CC)[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccsc1 ZINC000739405417 602500206 /nfs/dbraw/zinc/50/02/06/602500206.db2.gz BYXDOHSBAIZINR-MRXNPFEDSA-N -1 3 379.457 3.790 20 0 GHADHM O=C([O-])N1CCC[C@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000739926776 603245657 /nfs/dbraw/zinc/24/56/57/603245657.db2.gz LALRKWKVWZIVHZ-KRWDZBQOSA-N -1 3 375.856 3.546 20 0 GHADHM C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000825943432 603310880 /nfs/dbraw/zinc/31/08/80/603310880.db2.gz CZZVCJNRLAORMY-MRXNPFEDSA-N -1 3 382.464 3.905 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000826243575 607649340 /nfs/dbraw/zinc/64/93/40/607649340.db2.gz NGTKYPYFJIQDAN-GFCCVEGCSA-N -1 3 378.461 3.618 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000826243575 607649341 /nfs/dbraw/zinc/64/93/41/607649341.db2.gz NGTKYPYFJIQDAN-GFCCVEGCSA-N -1 3 378.461 3.618 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000826250113 607655459 /nfs/dbraw/zinc/65/54/59/607655459.db2.gz LOFMRJSTPHNXJE-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000826250113 607655460 /nfs/dbraw/zinc/65/54/60/607655460.db2.gz LOFMRJSTPHNXJE-UHFFFAOYSA-N -1 3 395.426 3.971 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000826246356 607660026 /nfs/dbraw/zinc/66/00/26/607660026.db2.gz BUPNQCWHNAPBHU-HXUWFJFHSA-N -1 3 387.418 3.834 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000826246356 607660028 /nfs/dbraw/zinc/66/00/28/607660028.db2.gz BUPNQCWHNAPBHU-HXUWFJFHSA-N -1 3 387.418 3.834 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825159764 607674971 /nfs/dbraw/zinc/67/49/71/607674971.db2.gz SXFRIDYJGGTDPB-ICSRJNTNSA-N -1 3 375.476 3.974 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825159764 607674973 /nfs/dbraw/zinc/67/49/73/607674973.db2.gz SXFRIDYJGGTDPB-ICSRJNTNSA-N -1 3 375.476 3.974 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825159765 607675002 /nfs/dbraw/zinc/67/50/02/607675002.db2.gz SXFRIDYJGGTDPB-QUCCMNQESA-N -1 3 375.476 3.974 20 0 GHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825159765 607675003 /nfs/dbraw/zinc/67/50/03/607675003.db2.gz SXFRIDYJGGTDPB-QUCCMNQESA-N -1 3 375.476 3.974 20 0 GHADHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000832846906 604290421 /nfs/dbraw/zinc/29/04/21/604290421.db2.gz YFSLQYRAEZLOPO-SFHVURJKSA-N -1 3 383.492 3.533 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826455152 607689713 /nfs/dbraw/zinc/68/97/13/607689713.db2.gz BELRMPOODMNZCF-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826455152 607689714 /nfs/dbraw/zinc/68/97/14/607689714.db2.gz BELRMPOODMNZCF-UHFFFAOYSA-N -1 3 380.795 3.893 20 0 GHADHM CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1OC(F)F ZINC000820802551 604465211 /nfs/dbraw/zinc/46/52/11/604465211.db2.gz IAEAFFHCAUTIED-MRXNPFEDSA-N -1 3 377.387 3.698 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824770505 607705368 /nfs/dbraw/zinc/70/53/68/607705368.db2.gz LHSITXIBSUHJJE-SNVBAGLBSA-N -1 3 390.369 3.579 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824770505 607705369 /nfs/dbraw/zinc/70/53/69/607705369.db2.gz LHSITXIBSUHJJE-SNVBAGLBSA-N -1 3 390.369 3.579 20 0 GHADHM CN(C(=O)Cc1csc2ccc(Cl)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000825820865 607707019 /nfs/dbraw/zinc/70/70/19/607707019.db2.gz XERLDAYSHLZPHN-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM CN(C(=O)Cc1csc2ccc(Cl)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000825820865 607707021 /nfs/dbraw/zinc/70/70/21/607707021.db2.gz XERLDAYSHLZPHN-UHFFFAOYSA-N -1 3 383.864 3.940 20 0 GHADHM COc1cc(N[C@H]2CCCN([C@@H](C(=O)[O-])c3ccccc3F)C2)cc(OC)c1 ZINC000832026284 604801277 /nfs/dbraw/zinc/80/12/77/604801277.db2.gz KVRJCXNGYQRCOA-VBKZILBWSA-N -1 3 388.439 3.545 20 0 GHADHM C[C@@]1(NCc2nc(-c3cccc(Br)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833568679 604814780 /nfs/dbraw/zinc/81/47/80/604814780.db2.gz HETIHMROUTTZAG-SUMWQHHRSA-N -1 3 394.269 3.622 20 0 GHADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000826472095 607721658 /nfs/dbraw/zinc/72/16/58/607721658.db2.gz XJCVYDQMORZYLW-OAHLLOKOSA-N -1 3 390.369 3.581 20 0 GHADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000826472095 607721660 /nfs/dbraw/zinc/72/16/60/607721660.db2.gz XJCVYDQMORZYLW-OAHLLOKOSA-N -1 3 390.369 3.581 20 0 GHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(COC2CCOCC2)cc1 ZINC000826352623 607730738 /nfs/dbraw/zinc/73/07/38/607730738.db2.gz IDRJVECDXATWCR-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(COC2CCOCC2)cc1 ZINC000826352623 607730740 /nfs/dbraw/zinc/73/07/40/607730740.db2.gz IDRJVECDXATWCR-UHFFFAOYSA-N -1 3 399.882 3.828 20 0 GHADHM C[C@]1(NCc2csc(COc3ccc(F)cc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569551 605066398 /nfs/dbraw/zinc/06/63/98/605066398.db2.gz MQEIADFXQNPVGW-APWZRJJASA-N -1 3 378.469 3.984 20 0 GHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000825502865 605118799 /nfs/dbraw/zinc/11/87/99/605118799.db2.gz LWTXMSGLZDJMIH-HZPDHXFCSA-N -1 3 381.476 3.993 20 0 GHADHM COc1cccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1OC ZINC000833735282 605201874 /nfs/dbraw/zinc/20/18/74/605201874.db2.gz IVLASQSPCNUDEU-MRXNPFEDSA-N -1 3 394.265 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc2cc[nH]c2c1 ZINC000826459245 607770098 /nfs/dbraw/zinc/77/00/98/607770098.db2.gz BKSFDQHIPAFLBM-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc2cc[nH]c2c1 ZINC000826459245 607770099 /nfs/dbraw/zinc/77/00/99/607770099.db2.gz BKSFDQHIPAFLBM-UHFFFAOYSA-N -1 3 387.428 3.724 20 0 GHADHM Cc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)ccc1NC(=O)[O-] ZINC000829929753 605700538 /nfs/dbraw/zinc/70/05/38/605700538.db2.gz BYUCECFINVXREO-QGZVFWFLSA-N -1 3 381.476 3.822 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)CCO1 ZINC000822585594 606068865 /nfs/dbraw/zinc/06/88/65/606068865.db2.gz GNZGOEMMOWNZSW-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccccc1[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)CCO1 ZINC000822585594 606068871 /nfs/dbraw/zinc/06/88/71/606068871.db2.gz GNZGOEMMOWNZSW-GOSISDBHSA-N -1 3 392.850 3.646 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821699696 606101232 /nfs/dbraw/zinc/10/12/32/606101232.db2.gz ZYDSVEHJIWCUES-VIFPVBQESA-N -1 3 393.230 3.891 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000821699696 606101237 /nfs/dbraw/zinc/10/12/37/606101237.db2.gz ZYDSVEHJIWCUES-VIFPVBQESA-N -1 3 393.230 3.891 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822280630 606122766 /nfs/dbraw/zinc/12/27/66/606122766.db2.gz UKOOEPKHDUWDIU-UHFFFAOYSA-N -1 3 398.470 3.873 20 0 GHADHM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822280630 606122767 /nfs/dbraw/zinc/12/27/67/606122767.db2.gz UKOOEPKHDUWDIU-UHFFFAOYSA-N -1 3 398.470 3.873 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000821731344 606125810 /nfs/dbraw/zinc/12/58/10/606125810.db2.gz AYZXIXMVALNBAV-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM COc1ccc(-c2csc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000821731344 606125811 /nfs/dbraw/zinc/12/58/11/606125811.db2.gz AYZXIXMVALNBAV-UHFFFAOYSA-N -1 3 391.456 3.534 20 0 GHADHM Cc1ncoc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000822482701 606175103 /nfs/dbraw/zinc/17/51/03/606175103.db2.gz XNTNUYSDYSVAMQ-SNVBAGLBSA-N -1 3 386.481 3.628 20 0 GHADHM Cc1ncoc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000822482701 606175105 /nfs/dbraw/zinc/17/51/05/606175105.db2.gz XNTNUYSDYSVAMQ-SNVBAGLBSA-N -1 3 386.481 3.628 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548850 606178890 /nfs/dbraw/zinc/17/88/90/606178890.db2.gz GTBUNHWZTRZQKD-QILLFSRXSA-N -1 3 385.537 3.842 20 0 GHADHM C[C@H](SCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548850 606178892 /nfs/dbraw/zinc/17/88/92/606178892.db2.gz GTBUNHWZTRZQKD-QILLFSRXSA-N -1 3 385.537 3.842 20 0 GHADHM C[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820513215 606205723 /nfs/dbraw/zinc/20/57/23/606205723.db2.gz XPHGKBSRVQHHQH-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM C[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820513215 606205725 /nfs/dbraw/zinc/20/57/25/606205725.db2.gz XPHGKBSRVQHHQH-VIFPVBQESA-N -1 3 380.301 3.943 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000822940791 606206736 /nfs/dbraw/zinc/20/67/36/606206736.db2.gz FAECCHODPFACBM-IBGZPJMESA-N -1 3 389.459 3.525 20 0 GHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000822940791 606206738 /nfs/dbraw/zinc/20/67/38/606206738.db2.gz FAECCHODPFACBM-IBGZPJMESA-N -1 3 389.459 3.525 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822211974 606245638 /nfs/dbraw/zinc/24/56/38/606245638.db2.gz WFEOYJWFENSEFG-RTBURBONSA-N -1 3 389.459 3.739 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000822211974 606245639 /nfs/dbraw/zinc/24/56/39/606245639.db2.gz WFEOYJWFENSEFG-RTBURBONSA-N -1 3 389.459 3.739 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000822623194 606251875 /nfs/dbraw/zinc/25/18/75/606251875.db2.gz QYVZEGHRKSKDMW-UHFFFAOYSA-N -1 3 399.414 3.501 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000822623194 606251876 /nfs/dbraw/zinc/25/18/76/606251876.db2.gz QYVZEGHRKSKDMW-UHFFFAOYSA-N -1 3 399.414 3.501 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000819865353 606262435 /nfs/dbraw/zinc/26/24/35/606262435.db2.gz CZAVPJYQHHYQTN-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000819865353 606262437 /nfs/dbraw/zinc/26/24/37/606262437.db2.gz CZAVPJYQHHYQTN-SECBINFHSA-N -1 3 379.317 3.767 20 0 GHADHM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823350191 606264748 /nfs/dbraw/zinc/26/47/48/606264748.db2.gz CVLWILQBERQHMH-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823350191 606264749 /nfs/dbraw/zinc/26/47/49/606264749.db2.gz CVLWILQBERQHMH-UHFFFAOYSA-N -1 3 393.838 3.713 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822210399 606270130 /nfs/dbraw/zinc/27/01/30/606270130.db2.gz AAMIAINSKYASIF-AWEZNQCLSA-N -1 3 388.431 3.896 20 0 GHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822210399 606270131 /nfs/dbraw/zinc/27/01/31/606270131.db2.gz AAMIAINSKYASIF-AWEZNQCLSA-N -1 3 388.431 3.896 20 0 GHADHM O=C(Nc1cc(Br)c(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299348 606279257 /nfs/dbraw/zinc/27/92/57/606279257.db2.gz TUGFVOMFAWGWFJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cc(Br)c(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299348 606279258 /nfs/dbraw/zinc/27/92/58/606279258.db2.gz TUGFVOMFAWGWFJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000821118209 606281120 /nfs/dbraw/zinc/28/11/20/606281120.db2.gz IQXWUUPWDLXGAE-KBPBESRZSA-N -1 3 398.417 3.709 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822414692 606315626 /nfs/dbraw/zinc/31/56/26/606315626.db2.gz QBPAVECCGBMHPZ-UHFFFAOYSA-N -1 3 391.460 3.610 20 0 GHADHM Cc1n[nH]c(C)c1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822414692 606315627 /nfs/dbraw/zinc/31/56/27/606315627.db2.gz QBPAVECCGBMHPZ-UHFFFAOYSA-N -1 3 391.460 3.610 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820563453 606316161 /nfs/dbraw/zinc/31/61/61/606316161.db2.gz QXVRILMUCSDYPR-JTQLQIEISA-N -1 3 390.369 3.579 20 0 GHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820563453 606316163 /nfs/dbraw/zinc/31/61/63/606316163.db2.gz QXVRILMUCSDYPR-JTQLQIEISA-N -1 3 390.369 3.579 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822234683 606347728 /nfs/dbraw/zinc/34/77/28/606347728.db2.gz DQLFMOSPDLUABF-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822234683 606347729 /nfs/dbraw/zinc/34/77/29/606347729.db2.gz DQLFMOSPDLUABF-INIZCTEOSA-N -1 3 380.427 3.553 20 0 GHADHM C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498221 606349157 /nfs/dbraw/zinc/34/91/57/606349157.db2.gz ZWBKWLZAYKUDQD-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498221 606349159 /nfs/dbraw/zinc/34/91/59/606349159.db2.gz ZWBKWLZAYKUDQD-NSHDSACASA-N -1 3 392.337 3.569 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820536131 606360171 /nfs/dbraw/zinc/36/01/71/606360171.db2.gz SDFAGSWOMCRDBQ-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820536131 606360173 /nfs/dbraw/zinc/36/01/73/606360173.db2.gz SDFAGSWOMCRDBQ-QWRGUYRKSA-N -1 3 390.802 3.731 20 0 GHADHM O=C(N[C@H]1CCCSC1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823149417 606365065 /nfs/dbraw/zinc/36/50/65/606365065.db2.gz BAAZPABNVJCZAZ-AWEZNQCLSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(N[C@H]1CCCSC1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823149417 606365067 /nfs/dbraw/zinc/36/50/67/606365067.db2.gz BAAZPABNVJCZAZ-AWEZNQCLSA-N -1 3 397.529 3.643 20 0 GHADHM Fc1cccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ncc(Cl)cn2)c1 ZINC000822787096 606399646 /nfs/dbraw/zinc/39/96/46/606399646.db2.gz VJRVAQYQMYVROD-UHFFFAOYSA-N -1 3 395.829 3.656 20 0 GHADHM Fc1cccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ncc(Cl)cn2)c1 ZINC000822787096 606399648 /nfs/dbraw/zinc/39/96/48/606399648.db2.gz VJRVAQYQMYVROD-UHFFFAOYSA-N -1 3 395.829 3.656 20 0 GHADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569817 606414110 /nfs/dbraw/zinc/41/41/10/606414110.db2.gz WXAMSKZMCMWWHP-ZJUUUORDSA-N -1 3 387.793 3.852 20 0 GHADHM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569817 606414113 /nfs/dbraw/zinc/41/41/13/606414113.db2.gz WXAMSKZMCMWWHP-ZJUUUORDSA-N -1 3 387.793 3.852 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000820384988 606431450 /nfs/dbraw/zinc/43/14/50/606431450.db2.gz OBCUQESWNSKJQK-LBPRGKRZSA-N -1 3 381.440 3.591 20 0 GHADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000820384988 606431451 /nfs/dbraw/zinc/43/14/51/606431451.db2.gz OBCUQESWNSKJQK-LBPRGKRZSA-N -1 3 381.440 3.591 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000822930379 606449944 /nfs/dbraw/zinc/44/99/44/606449944.db2.gz ZIYWYQQGVCDBFH-YFHOEESVSA-N -1 3 391.862 3.849 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000822930379 606449946 /nfs/dbraw/zinc/44/99/46/606449946.db2.gz ZIYWYQQGVCDBFH-YFHOEESVSA-N -1 3 391.862 3.849 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000822737208 606452875 /nfs/dbraw/zinc/45/28/75/606452875.db2.gz QHIFPSNQHQWDLH-LLVKDONJSA-N -1 3 382.374 3.670 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000822737208 606452878 /nfs/dbraw/zinc/45/28/78/606452878.db2.gz QHIFPSNQHQWDLH-LLVKDONJSA-N -1 3 382.374 3.670 20 0 GHADHM O=C(c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1)N1CCc2ccccc21 ZINC000823488346 606454264 /nfs/dbraw/zinc/45/42/64/606454264.db2.gz LXXXWHWETUTDCA-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1)N1CCc2ccccc21 ZINC000823488346 606454265 /nfs/dbraw/zinc/45/42/65/606454265.db2.gz LXXXWHWETUTDCA-UHFFFAOYSA-N -1 3 396.454 3.682 20 0 GHADHM O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823488506 606462328 /nfs/dbraw/zinc/46/23/28/606462328.db2.gz OTQDZIQXEWLUBM-UHFFFAOYSA-N -1 3 394.387 3.518 20 0 GHADHM O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823488506 606462329 /nfs/dbraw/zinc/46/23/29/606462329.db2.gz OTQDZIQXEWLUBM-UHFFFAOYSA-N -1 3 394.387 3.518 20 0 GHADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822259055 606467710 /nfs/dbraw/zinc/46/77/10/606467710.db2.gz LDDOUIWIZGCPKT-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822259055 606467711 /nfs/dbraw/zinc/46/77/11/606467711.db2.gz LDDOUIWIZGCPKT-VIFPVBQESA-N -1 3 380.376 3.756 20 0 GHADHM C[C@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820455838 606472090 /nfs/dbraw/zinc/47/20/90/606472090.db2.gz NSZCOCSYVDMMCY-AWEZNQCLSA-N -1 3 394.479 3.621 20 0 GHADHM C[C@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820455838 606472091 /nfs/dbraw/zinc/47/20/91/606472091.db2.gz NSZCOCSYVDMMCY-AWEZNQCLSA-N -1 3 394.479 3.621 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823732397 606473118 /nfs/dbraw/zinc/47/31/18/606473118.db2.gz LXANBMLLJLDEOF-UONOGXRCSA-N -1 3 394.957 3.577 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823732397 606473120 /nfs/dbraw/zinc/47/31/20/606473120.db2.gz LXANBMLLJLDEOF-UONOGXRCSA-N -1 3 394.957 3.577 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cccs1)Cc1cccs1 ZINC000823466998 606484473 /nfs/dbraw/zinc/48/44/73/606484473.db2.gz PUHPFKPMXNFIRY-UHFFFAOYSA-N -1 3 387.515 3.894 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cccs1)Cc1cccs1 ZINC000823466998 606484475 /nfs/dbraw/zinc/48/44/75/606484475.db2.gz PUHPFKPMXNFIRY-UHFFFAOYSA-N -1 3 387.515 3.894 20 0 GHADHM Cc1sc(NC(=O)c2c(F)cccc2Br)c(-c2nnn[n-]2)c1C ZINC000822563462 606490431 /nfs/dbraw/zinc/49/04/31/606490431.db2.gz KAHJLECIKGJONV-UHFFFAOYSA-N -1 3 396.245 3.699 20 0 GHADHM Cc1sc(NC(=O)c2c(F)cccc2Br)c(-c2nn[n-]n2)c1C ZINC000822563462 606490432 /nfs/dbraw/zinc/49/04/32/606490432.db2.gz KAHJLECIKGJONV-UHFFFAOYSA-N -1 3 396.245 3.699 20 0 GHADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367574 606495879 /nfs/dbraw/zinc/49/58/79/606495879.db2.gz LEDXDVQUJSQMQE-UHFFFAOYSA-N -1 3 391.456 3.802 20 0 GHADHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367574 606495881 /nfs/dbraw/zinc/49/58/81/606495881.db2.gz LEDXDVQUJSQMQE-UHFFFAOYSA-N -1 3 391.456 3.802 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000823087148 606496042 /nfs/dbraw/zinc/49/60/42/606496042.db2.gz IEICGCGASQZDSP-UHFFFAOYSA-N -1 3 395.513 3.761 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000823087148 606496044 /nfs/dbraw/zinc/49/60/44/606496044.db2.gz IEICGCGASQZDSP-UHFFFAOYSA-N -1 3 395.513 3.761 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820292820 606501959 /nfs/dbraw/zinc/50/19/59/606501959.db2.gz HRQCPUKISHCDSR-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820292820 606501960 /nfs/dbraw/zinc/50/19/60/606501960.db2.gz HRQCPUKISHCDSR-MRVPVSSYSA-N -1 3 382.276 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823104459 606507369 /nfs/dbraw/zinc/50/73/69/606507369.db2.gz XGKFHUVMCZDYAX-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823104459 606507370 /nfs/dbraw/zinc/50/73/70/606507370.db2.gz XGKFHUVMCZDYAX-UHFFFAOYSA-N -1 3 386.415 3.580 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820358367 606529094 /nfs/dbraw/zinc/52/90/94/606529094.db2.gz MVAWZCYSXWXCBP-ZOWXZIJZSA-N -1 3 396.417 3.596 20 0 GHADHM C[C@H](NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820358367 606529095 /nfs/dbraw/zinc/52/90/95/606529095.db2.gz MVAWZCYSXWXCBP-ZOWXZIJZSA-N -1 3 396.417 3.596 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000821153489 606532689 /nfs/dbraw/zinc/53/26/89/606532689.db2.gz DICQHVIQPHWAIS-AWEZNQCLSA-N -1 3 375.432 3.765 20 0 GHADHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000821153489 606532691 /nfs/dbraw/zinc/53/26/91/606532691.db2.gz DICQHVIQPHWAIS-AWEZNQCLSA-N -1 3 375.432 3.765 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000823472506 606540370 /nfs/dbraw/zinc/54/03/70/606540370.db2.gz OXFRXNMFMUOOHJ-ZDUSSCGKSA-N -1 3 393.394 3.924 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000823472506 606540372 /nfs/dbraw/zinc/54/03/72/606540372.db2.gz OXFRXNMFMUOOHJ-ZDUSSCGKSA-N -1 3 393.394 3.924 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000823103613 606551410 /nfs/dbraw/zinc/55/14/10/606551410.db2.gz JQSLRCJRJDNDLA-UHFFFAOYSA-N -1 3 391.381 3.993 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000823103613 606551412 /nfs/dbraw/zinc/55/14/12/606551412.db2.gz JQSLRCJRJDNDLA-UHFFFAOYSA-N -1 3 391.381 3.993 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822211720 606564778 /nfs/dbraw/zinc/56/47/78/606564778.db2.gz LYHDJDLUXLLFIF-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822211720 606564781 /nfs/dbraw/zinc/56/47/81/606564781.db2.gz LYHDJDLUXLLFIF-UHFFFAOYSA-N -1 3 399.454 3.935 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233364 606576604 /nfs/dbraw/zinc/57/66/04/606576604.db2.gz NDXFUHGZAQUBHG-WOJBJXKFSA-N -1 3 375.476 3.512 20 0 GHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233364 606576607 /nfs/dbraw/zinc/57/66/07/606576607.db2.gz NDXFUHGZAQUBHG-WOJBJXKFSA-N -1 3 375.476 3.512 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823331881 606577307 /nfs/dbraw/zinc/57/73/07/606577307.db2.gz IEIZLMBUPTVQDG-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823331881 606577308 /nfs/dbraw/zinc/57/73/08/606577308.db2.gz IEIZLMBUPTVQDG-KRWDZBQOSA-N -1 3 384.390 3.904 20 0 GHADHM CC1(CNC(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CC1 ZINC000820619008 606577707 /nfs/dbraw/zinc/57/77/07/606577707.db2.gz VSZMAZNQCZPGNV-UHFFFAOYSA-N -1 3 396.426 3.506 20 0 GHADHM CC1(CNC(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)CC1 ZINC000820619008 606577708 /nfs/dbraw/zinc/57/77/08/606577708.db2.gz VSZMAZNQCZPGNV-UHFFFAOYSA-N -1 3 396.426 3.506 20 0 GHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ncnc2ccsc21 ZINC000822733321 606589634 /nfs/dbraw/zinc/58/96/34/606589634.db2.gz XPKNOQHKLOVQRY-UHFFFAOYSA-N -1 3 392.416 3.765 20 0 GHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ncnc2ccsc21 ZINC000822733321 606589636 /nfs/dbraw/zinc/58/96/36/606589636.db2.gz XPKNOQHKLOVQRY-UHFFFAOYSA-N -1 3 392.416 3.765 20 0 GHADHM O=Cc1cc(Cl)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823550977 606590486 /nfs/dbraw/zinc/59/04/86/606590486.db2.gz AEDKBOBEGZSTMF-UHFFFAOYSA-N -1 3 380.738 3.513 20 0 GHADHM O=Cc1cc(Cl)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823550977 606590488 /nfs/dbraw/zinc/59/04/88/606590488.db2.gz AEDKBOBEGZSTMF-UHFFFAOYSA-N -1 3 380.738 3.513 20 0 GHADHM COc1c(C)ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1C ZINC000821698805 606596426 /nfs/dbraw/zinc/59/64/26/606596426.db2.gz ZKUFYTMPTHWDOJ-UHFFFAOYSA-N -1 3 375.379 3.706 20 0 GHADHM COc1c(C)ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1C ZINC000821698805 606596427 /nfs/dbraw/zinc/59/64/27/606596427.db2.gz ZKUFYTMPTHWDOJ-UHFFFAOYSA-N -1 3 375.379 3.706 20 0 GHADHM CC(C)c1noc([C@@H](C)SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000820211123 606597943 /nfs/dbraw/zinc/59/79/43/606597943.db2.gz FAYRAIILDYCVMO-SECBINFHSA-N -1 3 396.423 3.969 20 0 GHADHM CC(C)c1noc([C@@H](C)SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000820211123 606597944 /nfs/dbraw/zinc/59/79/44/606597944.db2.gz FAYRAIILDYCVMO-SECBINFHSA-N -1 3 396.423 3.969 20 0 GHADHM Cc1cccc([C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C)c1 ZINC000822288540 606600384 /nfs/dbraw/zinc/60/03/84/606600384.db2.gz AWBJPVYMLUHBIG-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1cccc([C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C)c1 ZINC000822288540 606600386 /nfs/dbraw/zinc/60/03/86/606600386.db2.gz AWBJPVYMLUHBIG-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)Nc1cc(F)ccc1F ZINC000823065854 606629830 /nfs/dbraw/zinc/62/98/30/606629830.db2.gz CVAPLNGVIJJVIM-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)Nc1cc(F)ccc1F ZINC000823065854 606629832 /nfs/dbraw/zinc/62/98/32/606629832.db2.gz CVAPLNGVIJJVIM-UHFFFAOYSA-N -1 3 381.795 3.529 20 0 GHADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)cs1 ZINC000822444591 606656860 /nfs/dbraw/zinc/65/68/60/606656860.db2.gz UGPWCBZLOQXYNA-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM Cc1nc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)cs1 ZINC000822444591 606656861 /nfs/dbraw/zinc/65/68/61/606656861.db2.gz UGPWCBZLOQXYNA-UHFFFAOYSA-N -1 3 396.451 3.962 20 0 GHADHM c1cc(NCc2nnc(C3CC3)o2)cc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823757688 606657052 /nfs/dbraw/zinc/65/70/52/606657052.db2.gz TWDKLAKMCUZFDA-UHFFFAOYSA-N -1 3 375.392 3.532 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000820386127 606661826 /nfs/dbraw/zinc/66/18/26/606661826.db2.gz VZOZJGNDLHMVCT-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000820386127 606661827 /nfs/dbraw/zinc/66/18/27/606661827.db2.gz VZOZJGNDLHMVCT-ZETCQYMHSA-N -1 3 398.200 3.943 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000820384482 606661870 /nfs/dbraw/zinc/66/18/70/606661870.db2.gz GILLDOLLFJAJBG-NSHDSACASA-N -1 3 379.370 3.789 20 0 GHADHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000820384482 606661871 /nfs/dbraw/zinc/66/18/71/606661871.db2.gz GILLDOLLFJAJBG-NSHDSACASA-N -1 3 379.370 3.789 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)s1 ZINC000822436959 606664612 /nfs/dbraw/zinc/66/46/12/606664612.db2.gz UOCWUVVTKZVLOG-UHFFFAOYSA-N -1 3 376.511 3.761 20 0 GHADHM Cc1nc(CC(C)C)c(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000822436959 606664613 /nfs/dbraw/zinc/66/46/13/606664613.db2.gz UOCWUVVTKZVLOG-UHFFFAOYSA-N -1 3 376.511 3.761 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823139293 606677738 /nfs/dbraw/zinc/67/77/38/606677738.db2.gz CCRYNXMRLINRKS-KRWDZBQOSA-N -1 3 387.365 3.555 20 0 GHADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823139293 606677739 /nfs/dbraw/zinc/67/77/39/606677739.db2.gz CCRYNXMRLINRKS-KRWDZBQOSA-N -1 3 387.365 3.555 20 0 GHADHM Cc1ccc(N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CCCCC2)nc1 ZINC000822241476 606678583 /nfs/dbraw/zinc/67/85/83/606678583.db2.gz XOVGGPYWSXEPHN-UHFFFAOYSA-N -1 3 398.417 3.828 20 0 GHADHM Cc1ccc(N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CCCCC2)nc1 ZINC000822241476 606678584 /nfs/dbraw/zinc/67/85/84/606678584.db2.gz XOVGGPYWSXEPHN-UHFFFAOYSA-N -1 3 398.417 3.828 20 0 GHADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823367623 606683791 /nfs/dbraw/zinc/68/37/91/606683791.db2.gz MITYTFYFUJQFRZ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823367623 606683792 /nfs/dbraw/zinc/68/37/92/606683792.db2.gz MITYTFYFUJQFRZ-UHFFFAOYSA-N -1 3 394.341 3.585 20 0 GHADHM CCCCC[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000821043154 606760104 /nfs/dbraw/zinc/76/01/04/606760104.db2.gz MGQVYDXXGHGTTF-MRXNPFEDSA-N -1 3 398.467 3.812 20 0 GHADHM CCCCC[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000821043154 606760107 /nfs/dbraw/zinc/76/01/07/606760107.db2.gz MGQVYDXXGHGTTF-MRXNPFEDSA-N -1 3 398.467 3.812 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCCOC(C)C)cc1 ZINC000822144711 606775805 /nfs/dbraw/zinc/77/58/05/606775805.db2.gz NAOOPXKRVSJVCW-UHFFFAOYSA-N -1 3 395.463 3.512 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCCOC(C)C)cc1 ZINC000822144711 606775806 /nfs/dbraw/zinc/77/58/06/606775806.db2.gz NAOOPXKRVSJVCW-UHFFFAOYSA-N -1 3 395.463 3.512 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823359647 606783805 /nfs/dbraw/zinc/78/38/05/606783805.db2.gz RGGQUMJRJJASFC-MRXNPFEDSA-N -1 3 389.419 3.767 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823359647 606783806 /nfs/dbraw/zinc/78/38/06/606783806.db2.gz RGGQUMJRJJASFC-MRXNPFEDSA-N -1 3 389.419 3.767 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000822137147 606786279 /nfs/dbraw/zinc/78/62/79/606786279.db2.gz UWAHZNVCSBFECH-AWEZNQCLSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000822137147 606786281 /nfs/dbraw/zinc/78/62/81/606786281.db2.gz UWAHZNVCSBFECH-AWEZNQCLSA-N -1 3 377.448 3.838 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000822135513 606796457 /nfs/dbraw/zinc/79/64/57/606796457.db2.gz CUWYXVIONCLFKM-GJZGRUSLSA-N -1 3 377.448 3.695 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000822135513 606796458 /nfs/dbraw/zinc/79/64/58/606796458.db2.gz CUWYXVIONCLFKM-GJZGRUSLSA-N -1 3 377.448 3.695 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1ncccc1-c1nnn[n-]1 ZINC000822733340 606800052 /nfs/dbraw/zinc/80/00/52/606800052.db2.gz YOBJUUYGQMWPOM-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM FC(F)Oc1c(Cl)cc(Cl)cc1CNc1ncccc1-c1nn[n-]n1 ZINC000822733340 606800054 /nfs/dbraw/zinc/80/00/54/606800054.db2.gz YOBJUUYGQMWPOM-UHFFFAOYSA-N -1 3 387.177 3.782 20 0 GHADHM c1ccc2c(c1)CCO[C@@H]2CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823762132 606841776 /nfs/dbraw/zinc/84/17/76/606841776.db2.gz JIHMOHUVRPISFU-LJQANCHMSA-N -1 3 382.489 3.683 20 0 GHADHM c1ccc2c(c1)CCO[C@@H]2CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823762132 606841777 /nfs/dbraw/zinc/84/17/77/606841777.db2.gz JIHMOHUVRPISFU-LJQANCHMSA-N -1 3 382.489 3.683 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000820549476 606852963 /nfs/dbraw/zinc/85/29/63/606852963.db2.gz NEBNUBSKKRFBSX-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000820549476 606852964 /nfs/dbraw/zinc/85/29/64/606852964.db2.gz NEBNUBSKKRFBSX-QMMMGPOBSA-N -1 3 395.822 3.918 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000821449901 606869644 /nfs/dbraw/zinc/86/96/44/606869644.db2.gz YAWFXEPIWKHTMS-UONOGXRCSA-N -1 3 391.545 3.561 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000821449901 606869646 /nfs/dbraw/zinc/86/96/46/606869646.db2.gz YAWFXEPIWKHTMS-UONOGXRCSA-N -1 3 391.545 3.561 20 0 GHADHM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820596073 606873668 /nfs/dbraw/zinc/87/36/68/606873668.db2.gz NNBYWDXKHGXFNS-KRWDZBQOSA-N -1 3 392.463 3.753 20 0 GHADHM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820596073 606873669 /nfs/dbraw/zinc/87/36/69/606873669.db2.gz NNBYWDXKHGXFNS-KRWDZBQOSA-N -1 3 392.463 3.753 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821449692 606905749 /nfs/dbraw/zinc/90/57/49/606905749.db2.gz WJVCJIOWBXTVHZ-RYUDHWBXSA-N -1 3 380.905 3.658 20 0 GHADHM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821449692 606905751 /nfs/dbraw/zinc/90/57/51/606905751.db2.gz WJVCJIOWBXTVHZ-RYUDHWBXSA-N -1 3 380.905 3.658 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000121638353 606915308 /nfs/dbraw/zinc/91/53/08/606915308.db2.gz VAHHHVKQIBLZCD-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000121638353 606915309 /nfs/dbraw/zinc/91/53/09/606915309.db2.gz VAHHHVKQIBLZCD-UHFFFAOYSA-N -1 3 387.447 3.602 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000823373213 606930061 /nfs/dbraw/zinc/93/00/61/606930061.db2.gz TVBGWUDCOVBWCG-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM O=C(Nc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000823373213 606930063 /nfs/dbraw/zinc/93/00/63/606930063.db2.gz TVBGWUDCOVBWCG-UHFFFAOYSA-N -1 3 394.435 3.932 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820051533 606940735 /nfs/dbraw/zinc/94/07/35/606940735.db2.gz QAOPKOPKSIVZQO-OAQYLSRUSA-N -1 3 375.476 3.581 20 0 GHADHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820051533 606940738 /nfs/dbraw/zinc/94/07/38/606940738.db2.gz QAOPKOPKSIVZQO-OAQYLSRUSA-N -1 3 375.476 3.581 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823145018 606940777 /nfs/dbraw/zinc/94/07/77/606940777.db2.gz OGTZJCPPEXHXFU-CQSZACIVSA-N -1 3 385.374 3.577 20 0 GHADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823145018 606940778 /nfs/dbraw/zinc/94/07/78/606940778.db2.gz OGTZJCPPEXHXFU-CQSZACIVSA-N -1 3 385.374 3.577 20 0 GHADHM Cc1cc(OCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000822210691 606973512 /nfs/dbraw/zinc/97/35/12/606973512.db2.gz NNBLVYDAZRMSHM-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1cc(OCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000822210691 606973514 /nfs/dbraw/zinc/97/35/14/606973514.db2.gz NNBLVYDAZRMSHM-UHFFFAOYSA-N -1 3 385.855 3.651 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)[C@@H](C)CO2)c1 ZINC000822231848 606976743 /nfs/dbraw/zinc/97/67/43/606976743.db2.gz JLGHUYVELFCXRH-MGPUTAFESA-N -1 3 381.455 3.585 20 0 GHADHM Cc1ccc(C)c([C@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)[C@@H](C)CO2)c1 ZINC000822231848 606976745 /nfs/dbraw/zinc/97/67/45/606976745.db2.gz JLGHUYVELFCXRH-MGPUTAFESA-N -1 3 381.455 3.585 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1F ZINC000823426210 607004279 /nfs/dbraw/zinc/00/42/79/607004279.db2.gz DBILBIAUOQXCRE-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1F ZINC000823426210 607004281 /nfs/dbraw/zinc/00/42/81/607004281.db2.gz DBILBIAUOQXCRE-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314816 607010020 /nfs/dbraw/zinc/01/00/20/607010020.db2.gz KHGGRDJPPVZBJK-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000820314816 607010021 /nfs/dbraw/zinc/01/00/21/607010021.db2.gz KHGGRDJPPVZBJK-KDOFPFPSSA-N -1 3 381.505 3.861 20 0 GHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1nc(-c2ccccc2)cs1 ZINC000823070848 607015619 /nfs/dbraw/zinc/01/56/19/607015619.db2.gz RJZYDWITOGNFPD-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1nc(-c2ccccc2)cs1 ZINC000823070848 607015623 /nfs/dbraw/zinc/01/56/23/607015623.db2.gz RJZYDWITOGNFPD-UHFFFAOYSA-N -1 3 394.485 3.721 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1cccc(C)c1 ZINC000821565411 607037287 /nfs/dbraw/zinc/03/72/87/607037287.db2.gz RNMBNQZGSBFUCR-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1cccc(C)c1 ZINC000821565411 607037290 /nfs/dbraw/zinc/03/72/90/607037290.db2.gz RNMBNQZGSBFUCR-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM Cc1cc(=O)oc2cc(OCc3cc(F)ccc3-c3nnn[n-]3)c(Cl)cc12 ZINC000822160299 607038090 /nfs/dbraw/zinc/03/80/90/607038090.db2.gz GSMVVYHPFNWZJE-UHFFFAOYSA-N -1 3 386.770 3.653 20 0 GHADHM Cc1cc(=O)oc2cc(OCc3cc(F)ccc3-c3nn[n-]n3)c(Cl)cc12 ZINC000822160299 607038091 /nfs/dbraw/zinc/03/80/91/607038091.db2.gz GSMVVYHPFNWZJE-UHFFFAOYSA-N -1 3 386.770 3.653 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822233915 607086041 /nfs/dbraw/zinc/08/60/41/607086041.db2.gz XUJLRHVDRFQKCS-OALUTQOASA-N -1 3 396.422 3.525 20 0 GHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822233915 607086043 /nfs/dbraw/zinc/08/60/43/607086043.db2.gz XUJLRHVDRFQKCS-OALUTQOASA-N -1 3 396.422 3.525 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc2ccc(Cl)cc2n1 ZINC000823417831 607086714 /nfs/dbraw/zinc/08/67/14/607086714.db2.gz KFYMZQNZDOZFPX-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC000823417831 607086716 /nfs/dbraw/zinc/08/67/16/607086716.db2.gz KFYMZQNZDOZFPX-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000820529203 607093091 /nfs/dbraw/zinc/09/30/91/607093091.db2.gz PRTAGMSZKHJNNW-ZANVPECISA-N -1 3 390.852 3.580 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000822936090 607094264 /nfs/dbraw/zinc/09/42/64/607094264.db2.gz RVHGLWUXIKTNEJ-BIGNBACZSA-N -1 3 397.438 3.802 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)O[C@H](Cc1ccccc1)c1cccnc1 ZINC000822936090 607094265 /nfs/dbraw/zinc/09/42/65/607094265.db2.gz RVHGLWUXIKTNEJ-BIGNBACZSA-N -1 3 397.438 3.802 20 0 GHADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000821293361 607100229 /nfs/dbraw/zinc/10/02/29/607100229.db2.gz KPTYXFOVQBOLQP-ZDUSSCGKSA-N -1 3 382.443 3.645 20 0 GHADHM Clc1cccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000822582498 607126220 /nfs/dbraw/zinc/12/62/20/607126220.db2.gz VEZDQJGYOQODAU-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Oc3ccc(-c4nnn[n-]4)cc3F)o2)cc1C ZINC000822214117 607134697 /nfs/dbraw/zinc/13/46/97/607134697.db2.gz QAVWHCNJLFYSLS-LBPRGKRZSA-N -1 3 380.383 3.813 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)Oc3ccc(-c4nn[n-]n4)cc3F)o2)cc1C ZINC000822214117 607134699 /nfs/dbraw/zinc/13/46/99/607134699.db2.gz QAVWHCNJLFYSLS-LBPRGKRZSA-N -1 3 380.383 3.813 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000820837900 607153210 /nfs/dbraw/zinc/15/32/10/607153210.db2.gz NXJBSWRJKSWENL-UHFFFAOYSA-N -1 3 391.475 3.758 20 0 GHADHM CCC(=O)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000820837900 607153212 /nfs/dbraw/zinc/15/32/12/607153212.db2.gz NXJBSWRJKSWENL-UHFFFAOYSA-N -1 3 391.475 3.758 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000820518515 607153428 /nfs/dbraw/zinc/15/34/28/607153428.db2.gz GAPOQXWRBMXYAJ-MRXNPFEDSA-N -1 3 385.512 3.732 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000820518515 607153430 /nfs/dbraw/zinc/15/34/30/607153430.db2.gz GAPOQXWRBMXYAJ-MRXNPFEDSA-N -1 3 385.512 3.732 20 0 GHADHM Clc1ccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1Cl ZINC000822579211 607164793 /nfs/dbraw/zinc/16/47/93/607164793.db2.gz XUAXVADQNWOCCO-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM Clc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1Cl ZINC000822579211 607164794 /nfs/dbraw/zinc/16/47/94/607164794.db2.gz XUAXVADQNWOCCO-UHFFFAOYSA-N -1 3 388.218 3.836 20 0 GHADHM CC(C)c1nnc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000820206347 607171933 /nfs/dbraw/zinc/17/19/33/607171933.db2.gz IUHAACVILABUIY-UHFFFAOYSA-N -1 3 395.398 3.917 20 0 GHADHM CC(C)c1nnc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000820206347 607171934 /nfs/dbraw/zinc/17/19/34/607171934.db2.gz IUHAACVILABUIY-UHFFFAOYSA-N -1 3 395.398 3.917 20 0 GHADHM Clc1ccc(-c2nnn[n-]2)c(Oc2nc(-c3cccnc3)nc3c2CCC3)c1 ZINC000822574336 607174871 /nfs/dbraw/zinc/17/48/71/607174871.db2.gz RVLVMDYGVLVIFT-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM Clc1ccc(-c2nn[n-]n2)c(Oc2nc(-c3cccnc3)nc3c2CCC3)c1 ZINC000822574336 607174872 /nfs/dbraw/zinc/17/48/72/607174872.db2.gz RVLVMDYGVLVIFT-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822935214 607190028 /nfs/dbraw/zinc/19/00/28/607190028.db2.gz HEKZERFUXGZPQA-FPLPWBNLSA-N -1 3 382.836 3.782 20 0 GHADHM O=C(C=Cc1nc2ccccc2s1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822935214 607190029 /nfs/dbraw/zinc/19/00/29/607190029.db2.gz HEKZERFUXGZPQA-FPLPWBNLSA-N -1 3 382.836 3.782 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821016423 607194002 /nfs/dbraw/zinc/19/40/02/607194002.db2.gz WORUIRMGEAOYNL-FZMZJTMJSA-N -1 3 394.426 3.901 20 0 GHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821016423 607194003 /nfs/dbraw/zinc/19/40/03/607194003.db2.gz WORUIRMGEAOYNL-FZMZJTMJSA-N -1 3 394.426 3.901 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823318369 607199858 /nfs/dbraw/zinc/19/98/58/607199858.db2.gz DJLUFRHOGBFKKH-NXEZZACHSA-N -1 3 388.781 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823318369 607199859 /nfs/dbraw/zinc/19/98/59/607199859.db2.gz DJLUFRHOGBFKKH-NXEZZACHSA-N -1 3 388.781 3.763 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC000823313792 607202978 /nfs/dbraw/zinc/20/29/78/607202978.db2.gz IWBMGLPMURPNCX-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC000823313792 607202979 /nfs/dbraw/zinc/20/29/79/607202979.db2.gz IWBMGLPMURPNCX-LBPRGKRZSA-N -1 3 386.818 3.681 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)oc1C ZINC000822211862 607207280 /nfs/dbraw/zinc/20/72/80/607207280.db2.gz RHACBFPPJOCTCE-UHFFFAOYSA-N -1 3 390.403 3.825 20 0 GHADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C2CCC(C)(C)CC2)c1C ZINC000822482524 607219162 /nfs/dbraw/zinc/21/91/62/607219162.db2.gz UJCZUJKFVRKJDB-UHFFFAOYSA-N -1 3 393.495 3.824 20 0 GHADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000820300971 607229442 /nfs/dbraw/zinc/22/94/42/607229442.db2.gz UCAHEUCVBGIAMR-HNNXBMFYSA-N -1 3 399.454 3.600 20 0 GHADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000820300971 607229443 /nfs/dbraw/zinc/22/94/43/607229443.db2.gz UCAHEUCVBGIAMR-HNNXBMFYSA-N -1 3 399.454 3.600 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Br)cs1 ZINC000823318664 607241732 /nfs/dbraw/zinc/24/17/32/607241732.db2.gz GTFSHGTZVJNRSZ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Br)cs1 ZINC000823318664 607241733 /nfs/dbraw/zinc/24/17/33/607241733.db2.gz GTFSHGTZVJNRSZ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820556159 607244301 /nfs/dbraw/zinc/24/43/01/607244301.db2.gz SDDDYMKAGAQBBC-VIFPVBQESA-N -1 3 378.816 3.745 20 0 GHADHM C[C@H](Sc1ccccc1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820556159 607244302 /nfs/dbraw/zinc/24/43/02/607244302.db2.gz SDDDYMKAGAQBBC-VIFPVBQESA-N -1 3 378.816 3.745 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccc(SCC)cc1 ZINC000825609355 607776554 /nfs/dbraw/zinc/77/65/54/607776554.db2.gz KQBRYDAJNHZGAR-UHFFFAOYSA-N -1 3 384.461 3.526 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccc(SCC)cc1 ZINC000825609355 607776555 /nfs/dbraw/zinc/77/65/55/607776555.db2.gz KQBRYDAJNHZGAR-UHFFFAOYSA-N -1 3 384.461 3.526 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000825545841 607784050 /nfs/dbraw/zinc/78/40/50/607784050.db2.gz YBKBJGXGLSRFSP-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000825545841 607784051 /nfs/dbraw/zinc/78/40/51/607784051.db2.gz YBKBJGXGLSRFSP-JTQLQIEISA-N -1 3 388.378 3.886 20 0 GHADHM O=C(CS[C@H]1CCc2c1cccc2Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826419560 607785985 /nfs/dbraw/zinc/78/59/85/607785985.db2.gz CTQUHXDAZJZPTN-KRWDZBQOSA-N -1 3 399.907 3.557 20 0 GHADHM O=C(CS[C@H]1CCc2c1cccc2Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826419560 607785986 /nfs/dbraw/zinc/78/59/86/607785986.db2.gz CTQUHXDAZJZPTN-KRWDZBQOSA-N -1 3 399.907 3.557 20 0 GHADHM CCN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390815 607797648 /nfs/dbraw/zinc/79/76/48/607797648.db2.gz NFFXHLBIUCAVAB-UHFFFAOYSA-N -1 3 394.435 3.796 20 0 GHADHM CCN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390815 607797649 /nfs/dbraw/zinc/79/76/49/607797649.db2.gz NFFXHLBIUCAVAB-UHFFFAOYSA-N -1 3 394.435 3.796 20 0 GHADHM CCN(C(=O)[C@@H](C)CSCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362556 607798138 /nfs/dbraw/zinc/79/81/38/607798138.db2.gz OOMBIHWHKHSFCM-HNNXBMFYSA-N -1 3 381.505 3.789 20 0 GHADHM CCN(C(=O)[C@@H](C)CSCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362556 607798139 /nfs/dbraw/zinc/79/81/39/607798139.db2.gz OOMBIHWHKHSFCM-HNNXBMFYSA-N -1 3 381.505 3.789 20 0 GHADHM CC(C)C1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)C1 ZINC000824222967 607808349 /nfs/dbraw/zinc/80/83/49/607808349.db2.gz DJIOSEFDFHRLJD-UHFFFAOYSA-N -1 3 379.489 3.746 20 0 GHADHM CC(C)C1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)C1 ZINC000824222967 607808350 /nfs/dbraw/zinc/80/83/50/607808350.db2.gz DJIOSEFDFHRLJD-UHFFFAOYSA-N -1 3 379.489 3.746 20 0 GHADHM CC(C)C1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824225553 607808564 /nfs/dbraw/zinc/80/85/64/607808564.db2.gz UOIRADYUGPXOOH-UHFFFAOYSA-N -1 3 379.489 3.746 20 0 GHADHM CC(C)C1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824225553 607808565 /nfs/dbraw/zinc/80/85/65/607808565.db2.gz UOIRADYUGPXOOH-UHFFFAOYSA-N -1 3 379.489 3.746 20 0 GHADHM FC(F)(F)c1cc(NCc2cnoc2-c2ccco2)ccc1-c1nnn[n-]1 ZINC000826368230 607814346 /nfs/dbraw/zinc/81/43/46/607814346.db2.gz IACOIZYTQBOUMT-UHFFFAOYSA-N -1 3 376.298 3.746 20 0 GHADHM FC(F)(F)c1cc(NCc2cnoc2-c2ccco2)ccc1-c1nn[n-]n1 ZINC000826368230 607814347 /nfs/dbraw/zinc/81/43/47/607814347.db2.gz IACOIZYTQBOUMT-UHFFFAOYSA-N -1 3 376.298 3.746 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826286897 607818659 /nfs/dbraw/zinc/81/86/59/607818659.db2.gz VCQYDDXKCRZGPM-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826286897 607818660 /nfs/dbraw/zinc/81/86/60/607818660.db2.gz VCQYDDXKCRZGPM-UHFFFAOYSA-N -1 3 375.388 3.742 20 0 GHADHM O=C(NCc1cccc(Cl)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826442724 607832911 /nfs/dbraw/zinc/83/29/11/607832911.db2.gz IMGWWKPXGBTEAH-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM O=C(NCc1cccc(Cl)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826442724 607832912 /nfs/dbraw/zinc/83/29/12/607832912.db2.gz IMGWWKPXGBTEAH-UHFFFAOYSA-N -1 3 382.638 3.757 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825195774 607844411 /nfs/dbraw/zinc/84/44/11/607844411.db2.gz YUEZZLVKBBTQFI-WCQYABFASA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825195774 607844412 /nfs/dbraw/zinc/84/44/12/607844412.db2.gz YUEZZLVKBBTQFI-WCQYABFASA-N -1 3 379.917 3.792 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824770783 607844552 /nfs/dbraw/zinc/84/45/52/607844552.db2.gz MJKLXJFARDGMEU-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824770783 607844553 /nfs/dbraw/zinc/84/45/53/607844553.db2.gz MJKLXJFARDGMEU-LBPRGKRZSA-N -1 3 387.896 3.832 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C)cc2Br)s1 ZINC000825694611 607861209 /nfs/dbraw/zinc/86/12/09/607861209.db2.gz WLVGTDRKHJCXPQ-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C)cc2Br)s1 ZINC000825694611 607861210 /nfs/dbraw/zinc/86/12/10/607861210.db2.gz WLVGTDRKHJCXPQ-UHFFFAOYSA-N -1 3 392.282 3.814 20 0 GHADHM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825825957 607861212 /nfs/dbraw/zinc/86/12/12/607861212.db2.gz PNIJKCCNDMPOKB-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825825957 607861213 /nfs/dbraw/zinc/86/12/13/607861213.db2.gz PNIJKCCNDMPOKB-UHFFFAOYSA-N -1 3 390.834 3.859 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000826233989 607861218 /nfs/dbraw/zinc/86/12/18/607861218.db2.gz COPHTOUYDOVUHM-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000826233989 607861219 /nfs/dbraw/zinc/86/12/19/607861219.db2.gz COPHTOUYDOVUHM-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000826504610 607877487 /nfs/dbraw/zinc/87/74/87/607877487.db2.gz ZVZITRNXHNQKNE-CYBMUJFWSA-N -1 3 398.772 3.521 20 0 GHADHM O[C@@H](COc1cc(Cl)ccc1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000826504610 607877488 /nfs/dbraw/zinc/87/74/88/607877488.db2.gz ZVZITRNXHNQKNE-CYBMUJFWSA-N -1 3 398.772 3.521 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCSCC(C)C ZINC000825317834 607913036 /nfs/dbraw/zinc/91/30/36/607913036.db2.gz DGODMNDCNITYRP-UHFFFAOYSA-N -1 3 390.557 3.568 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCSCC(C)C ZINC000825317834 607913037 /nfs/dbraw/zinc/91/30/37/607913037.db2.gz DGODMNDCNITYRP-UHFFFAOYSA-N -1 3 390.557 3.568 20 0 GHADHM CCC(=O)c1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000825035291 607934067 /nfs/dbraw/zinc/93/40/67/607934067.db2.gz ZSCLOUWXSLIPST-CYBMUJFWSA-N -1 3 395.438 3.822 20 0 GHADHM CCC(=O)c1cc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825035291 607934068 /nfs/dbraw/zinc/93/40/68/607934068.db2.gz ZSCLOUWXSLIPST-CYBMUJFWSA-N -1 3 395.438 3.822 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000825318237 607940749 /nfs/dbraw/zinc/94/07/49/607940749.db2.gz KBDKXVKOAVYDPO-KRWDZBQOSA-N -1 3 397.483 3.544 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000825318237 607940750 /nfs/dbraw/zinc/94/07/50/607940750.db2.gz KBDKXVKOAVYDPO-KRWDZBQOSA-N -1 3 397.483 3.544 20 0 GHADHM O=C(CCSc1ccccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408176 607948218 /nfs/dbraw/zinc/94/82/18/607948218.db2.gz SQNUTJZQLZBHCD-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM O=C(CCSc1ccccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408176 607948219 /nfs/dbraw/zinc/94/82/19/607948219.db2.gz SQNUTJZQLZBHCD-UHFFFAOYSA-N -1 3 385.880 3.592 20 0 GHADHM Cc1ccc(C)n1-c1sccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826285406 607949388 /nfs/dbraw/zinc/94/93/88/607949388.db2.gz ZBEHHZJDIUAUNE-UHFFFAOYSA-N -1 3 390.472 3.539 20 0 GHADHM Cc1ccc(C)n1-c1sccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826285406 607949389 /nfs/dbraw/zinc/94/93/89/607949389.db2.gz ZBEHHZJDIUAUNE-UHFFFAOYSA-N -1 3 390.472 3.539 20 0 GHADHM Cc1sc(NC(=O)c2ccc(Br)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000826261101 607962811 /nfs/dbraw/zinc/96/28/11/607962811.db2.gz QZRQBHPGQJWDRE-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM Cc1sc(NC(=O)c2ccc(Br)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000826261101 607962812 /nfs/dbraw/zinc/96/28/12/607962812.db2.gz QZRQBHPGQJWDRE-UHFFFAOYSA-N -1 3 392.282 3.868 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(OCc2ccccn2)c1 ZINC000825782920 607975828 /nfs/dbraw/zinc/97/58/28/607975828.db2.gz VIQQOYMWBNZNGB-UHFFFAOYSA-N -1 3 397.442 3.877 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(OCc2ccccn2)c1 ZINC000825782920 607975829 /nfs/dbraw/zinc/97/58/29/607975829.db2.gz VIQQOYMWBNZNGB-UHFFFAOYSA-N -1 3 397.442 3.877 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367051 607978366 /nfs/dbraw/zinc/97/83/66/607978366.db2.gz ILQHACSVFBJXQV-PTJCHJMSSA-N -1 3 382.855 3.538 20 0 GHADHM CCN(C(=O)C=Cc1ccc(Cl)nc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367051 607978367 /nfs/dbraw/zinc/97/83/67/607978367.db2.gz ILQHACSVFBJXQV-PTJCHJMSSA-N -1 3 382.855 3.538 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccccc1CCC(F)(F)F ZINC000826466948 607981732 /nfs/dbraw/zinc/98/17/32/607981732.db2.gz ARQQOOANXDJXIT-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccccc1CCC(F)(F)F ZINC000826466948 607981733 /nfs/dbraw/zinc/98/17/33/607981733.db2.gz ARQQOOANXDJXIT-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM COc1ccc(CSCC(=O)c2cc(C)n(C3CC3)c2C)cc1-c1nnn[n-]1 ZINC000826207434 607984375 /nfs/dbraw/zinc/98/43/75/607984375.db2.gz NSDUHUTYUCSFHZ-UHFFFAOYSA-N -1 3 397.504 3.745 20 0 GHADHM COc1ccc(CSCC(=O)c2cc(C)n(C3CC3)c2C)cc1-c1nn[n-]n1 ZINC000826207434 607984376 /nfs/dbraw/zinc/98/43/76/607984376.db2.gz NSDUHUTYUCSFHZ-UHFFFAOYSA-N -1 3 397.504 3.745 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000825332389 607985218 /nfs/dbraw/zinc/98/52/18/607985218.db2.gz HJNGCQMOEAODKT-AWEZNQCLSA-N -1 3 394.479 3.515 20 0 GHADHM Cc1cc([C@H](NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262097 607996195 /nfs/dbraw/zinc/99/61/95/607996195.db2.gz DSQDGOMCVQUPDP-LJQANCHMSA-N -1 3 394.454 3.607 20 0 GHADHM Cc1cc([C@H](NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1F ZINC000826262097 607996196 /nfs/dbraw/zinc/99/61/96/607996196.db2.gz DSQDGOMCVQUPDP-LJQANCHMSA-N -1 3 394.454 3.607 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000825621450 608006239 /nfs/dbraw/zinc/00/62/39/608006239.db2.gz UCPNUPXSGIVUDK-UHFFFAOYSA-N -1 3 392.463 3.591 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000825621450 608006240 /nfs/dbraw/zinc/00/62/40/608006240.db2.gz UCPNUPXSGIVUDK-UHFFFAOYSA-N -1 3 392.463 3.591 20 0 GHADHM C[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000824426215 608016915 /nfs/dbraw/zinc/01/69/15/608016915.db2.gz BWAKBOMNFYDNQE-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000824426215 608016916 /nfs/dbraw/zinc/01/69/16/608016916.db2.gz BWAKBOMNFYDNQE-LLVKDONJSA-N -1 3 381.827 3.786 20 0 GHADHM Cc1cc(Oc2ccc3nccnc3c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272047 608017229 /nfs/dbraw/zinc/01/72/29/608017229.db2.gz RUAJMWTYOMVQSK-UHFFFAOYSA-N -1 3 394.398 3.712 20 0 GHADHM Cc1cc(Oc2ccc3nccnc3c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272047 608017230 /nfs/dbraw/zinc/01/72/30/608017230.db2.gz RUAJMWTYOMVQSK-UHFFFAOYSA-N -1 3 394.398 3.712 20 0 GHADHM Brc1cc(-c2nn[n-]n2)ccc1NCc1ccn(C2CCCC2)n1 ZINC000823826784 608051171 /nfs/dbraw/zinc/05/11/71/608051171.db2.gz PCDLEJSJWAAXCD-UHFFFAOYSA-N -1 3 388.273 3.553 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000824392105 608051226 /nfs/dbraw/zinc/05/12/26/608051226.db2.gz LXOCQVCLRPEOEF-BDJLRTHQSA-N -1 3 388.269 3.553 20 0 GHADHM c1nc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)sc1-c1ccccc1 ZINC000826519133 608052701 /nfs/dbraw/zinc/05/27/01/608052701.db2.gz LLMQDZNBBDYVDD-QGZVFWFLSA-N -1 3 390.472 3.568 20 0 GHADHM c1nc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)sc1-c1ccccc1 ZINC000826519133 608052702 /nfs/dbraw/zinc/05/27/02/608052702.db2.gz LLMQDZNBBDYVDD-QGZVFWFLSA-N -1 3 390.472 3.568 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825242550 608089394 /nfs/dbraw/zinc/08/93/94/608089394.db2.gz UUHZRMXVFADGDT-VQTJNVASSA-N -1 3 397.523 3.763 20 0 GHADHM CCC[C@@H](CC1CCCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825242550 608089395 /nfs/dbraw/zinc/08/93/95/608089395.db2.gz UUHZRMXVFADGDT-VQTJNVASSA-N -1 3 397.523 3.763 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000826277227 608097296 /nfs/dbraw/zinc/09/72/96/608097296.db2.gz NVDDTJYCUTVZDZ-NSHDSACASA-N -1 3 396.501 3.904 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000826277227 608097297 /nfs/dbraw/zinc/09/72/97/608097297.db2.gz NVDDTJYCUTVZDZ-NSHDSACASA-N -1 3 396.501 3.904 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccccc1Cl ZINC000825796574 608109231 /nfs/dbraw/zinc/10/92/31/608109231.db2.gz IEWUXNNIAYMPLX-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccccc1Cl ZINC000825796574 608109232 /nfs/dbraw/zinc/10/92/32/608109232.db2.gz IEWUXNNIAYMPLX-UHFFFAOYSA-N -1 3 398.883 3.699 20 0 GHADHM CCOC(=O)C(=Cc1ccccc1-c1nnn[n-]1)c1nc(C(C)C)c(C)s1 ZINC000825486019 608109463 /nfs/dbraw/zinc/10/94/63/608109463.db2.gz LXDJSUKCQPCQNY-XNTDXEJSSA-N -1 3 383.477 3.859 20 0 GHADHM CCOC(=O)C(=Cc1ccccc1-c1nn[n-]n1)c1nc(C(C)C)c(C)s1 ZINC000825486019 608109464 /nfs/dbraw/zinc/10/94/64/608109464.db2.gz LXDJSUKCQPCQNY-XNTDXEJSSA-N -1 3 383.477 3.859 20 0 GHADHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477822 608111490 /nfs/dbraw/zinc/11/14/90/608111490.db2.gz MHONBMPWJWAELX-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477822 608111491 /nfs/dbraw/zinc/11/14/91/608111491.db2.gz MHONBMPWJWAELX-OAHLLOKOSA-N -1 3 389.843 3.557 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000825013256 608141076 /nfs/dbraw/zinc/14/10/76/608141076.db2.gz NYDGQHBPCVOKBL-SECBINFHSA-N -1 3 391.909 3.970 20 0 GHADHM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000825013256 608141077 /nfs/dbraw/zinc/14/10/77/608141077.db2.gz NYDGQHBPCVOKBL-SECBINFHSA-N -1 3 391.909 3.970 20 0 GHADHM CN(C(=O)c1cc(F)c(Cl)cc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825825668 608159970 /nfs/dbraw/zinc/15/99/70/608159970.db2.gz HPZVSZBWLVQGTJ-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CN(C(=O)c1cc(F)c(Cl)cc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825825668 608159973 /nfs/dbraw/zinc/15/99/73/608159973.db2.gz HPZVSZBWLVQGTJ-UHFFFAOYSA-N -1 3 384.173 3.728 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC/C=C\c1ccccc1 ZINC000825788268 608178255 /nfs/dbraw/zinc/17/82/55/608178255.db2.gz NXTNXFGISZDFQX-POHAHGRESA-N -1 3 387.447 3.668 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC/C=C\c1ccccc1 ZINC000825788268 608178256 /nfs/dbraw/zinc/17/82/56/608178256.db2.gz NXTNXFGISZDFQX-POHAHGRESA-N -1 3 387.447 3.668 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1-c1nnn[n-]1 ZINC000826231786 608200145 /nfs/dbraw/zinc/20/01/45/608200145.db2.gz ZLEWWRDPEQZCPO-GFCCVEGCSA-N -1 3 398.536 3.513 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cccc(F)c1 ZINC000824757643 608206951 /nfs/dbraw/zinc/20/69/51/608206951.db2.gz ZIAJLJFVXWSHQJ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cccc(F)c1 ZINC000824757643 608206952 /nfs/dbraw/zinc/20/69/52/608206952.db2.gz ZIAJLJFVXWSHQJ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N1CCc2ccccc21 ZINC000824754534 608206959 /nfs/dbraw/zinc/20/69/59/608206959.db2.gz IGVGLVXXPXVBIN-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N1CCc2ccccc21 ZINC000824754534 608206960 /nfs/dbraw/zinc/20/69/60/608206960.db2.gz IGVGLVXXPXVBIN-LLVKDONJSA-N -1 3 385.880 3.590 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000826421099 608208242 /nfs/dbraw/zinc/20/82/42/608208242.db2.gz RTZWYYMGKPFPIL-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000826421099 608208243 /nfs/dbraw/zinc/20/82/43/608208243.db2.gz RTZWYYMGKPFPIL-UHFFFAOYSA-N -1 3 380.260 3.904 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1-c1nnn[n-]1 ZINC000824329038 608208451 /nfs/dbraw/zinc/20/84/51/608208451.db2.gz FLYATXSZRRPWFW-CQSZACIVSA-N -1 3 384.484 3.698 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000824329038 608208453 /nfs/dbraw/zinc/20/84/53/608208453.db2.gz FLYATXSZRRPWFW-CQSZACIVSA-N -1 3 384.484 3.698 20 0 GHADHM COc1cccc(C2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1 ZINC000826215331 608225430 /nfs/dbraw/zinc/22/54/30/608225430.db2.gz MDMNPHQAGZRDRT-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM COc1cccc(C2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826215331 608225431 /nfs/dbraw/zinc/22/54/31/608225431.db2.gz MDMNPHQAGZRDRT-UHFFFAOYSA-N -1 3 386.459 3.808 20 0 GHADHM c1ccc(Oc2ccc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)nn2)cc1 ZINC000826522512 608255492 /nfs/dbraw/zinc/25/54/92/608255492.db2.gz DULUTWRLDIKSJO-UHFFFAOYSA-N -1 3 399.458 3.614 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2ccccc2n1C(F)F ZINC000826173475 608262723 /nfs/dbraw/zinc/26/27/23/608262723.db2.gz FXPSULIHKKLUBC-UHFFFAOYSA-N -1 3 388.403 3.912 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc2ccccc2n1C(F)F ZINC000826173475 608262724 /nfs/dbraw/zinc/26/27/24/608262724.db2.gz FXPSULIHKKLUBC-UHFFFAOYSA-N -1 3 388.403 3.912 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C[C@H]1C ZINC000824948354 608268818 /nfs/dbraw/zinc/26/88/18/608268818.db2.gz UNLYPTTWQBQHRR-UONOGXRCSA-N -1 3 393.451 3.564 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824928103 608279341 /nfs/dbraw/zinc/27/93/41/608279341.db2.gz RDEFTXKLBUDOGW-APWZRJJASA-N -1 3 385.512 3.985 20 0 GHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824928103 608279342 /nfs/dbraw/zinc/27/93/42/608279342.db2.gz RDEFTXKLBUDOGW-APWZRJJASA-N -1 3 385.512 3.985 20 0 GHADHM Cc1scc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1C ZINC000826350284 608298239 /nfs/dbraw/zinc/29/82/39/608298239.db2.gz PINAKHKHPHEIEJ-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM Cc1scc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1C ZINC000826350284 608298241 /nfs/dbraw/zinc/29/82/41/608298241.db2.gz PINAKHKHPHEIEJ-UHFFFAOYSA-N -1 3 396.501 3.845 20 0 GHADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C(C)C ZINC000824285041 608306109 /nfs/dbraw/zinc/30/61/09/608306109.db2.gz UPVRMYWOFMIBPU-UHFFFAOYSA-N -1 3 386.435 3.626 20 0 GHADHM CC(C)Cn1ncc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C(C)C ZINC000824285041 608306111 /nfs/dbraw/zinc/30/61/11/608306111.db2.gz UPVRMYWOFMIBPU-UHFFFAOYSA-N -1 3 386.435 3.626 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1F ZINC000826289298 608307929 /nfs/dbraw/zinc/30/79/29/608307929.db2.gz UJSDFLWSQQDIIB-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000826289298 608307931 /nfs/dbraw/zinc/30/79/31/608307931.db2.gz UJSDFLWSQQDIIB-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824119824 608308378 /nfs/dbraw/zinc/30/83/78/608308378.db2.gz RFVPVWDDPJNNGZ-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824119824 608308380 /nfs/dbraw/zinc/30/83/80/608308380.db2.gz RFVPVWDDPJNNGZ-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826452932 608308821 /nfs/dbraw/zinc/30/88/21/608308821.db2.gz OQAZYQYPYQEIII-OAHLLOKOSA-N -1 3 386.818 3.858 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826452932 608308823 /nfs/dbraw/zinc/30/88/23/608308823.db2.gz OQAZYQYPYQEIII-OAHLLOKOSA-N -1 3 386.818 3.858 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(COc2ccccc2)cc1 ZINC000826423325 608308967 /nfs/dbraw/zinc/30/89/67/608308967.db2.gz JFRPYNLTNXGDHC-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(COc2ccccc2)cc1 ZINC000826423325 608308969 /nfs/dbraw/zinc/30/89/69/608308969.db2.gz JFRPYNLTNXGDHC-UHFFFAOYSA-N -1 3 385.427 3.627 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([C@H]2CCCOC2)c1 ZINC000826452807 608311460 /nfs/dbraw/zinc/31/14/60/608311460.db2.gz JRFRNHCMUJWFMG-HNNXBMFYSA-N -1 3 383.839 3.666 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc([C@H]2CCCOC2)c1 ZINC000826452807 608311461 /nfs/dbraw/zinc/31/14/61/608311461.db2.gz JRFRNHCMUJWFMG-HNNXBMFYSA-N -1 3 383.839 3.666 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824447706 608313854 /nfs/dbraw/zinc/31/38/54/608313854.db2.gz BBXKSQSJFPJGHT-MRXNPFEDSA-N -1 3 377.492 3.670 20 0 GHADHM CC(C)c1ccc(C[C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824447706 608313856 /nfs/dbraw/zinc/31/38/56/608313856.db2.gz BBXKSQSJFPJGHT-MRXNPFEDSA-N -1 3 377.492 3.670 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@H]1C ZINC000824953850 608314444 /nfs/dbraw/zinc/31/44/44/608314444.db2.gz HJHGUHOMDPQUJS-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C[C@H]1C ZINC000824953850 608314446 /nfs/dbraw/zinc/31/44/46/608314446.db2.gz HJHGUHOMDPQUJS-JKSUJKDBSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824119638 608315784 /nfs/dbraw/zinc/31/57/84/608315784.db2.gz MPXACNIUFWZYQT-UHFFFAOYSA-N -1 3 391.353 3.714 20 0 GHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824119638 608315786 /nfs/dbraw/zinc/31/57/86/608315786.db2.gz MPXACNIUFWZYQT-UHFFFAOYSA-N -1 3 391.353 3.714 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2ccc(-c3nnn[n-]3)cc2OC)cs1 ZINC000825576378 608322228 /nfs/dbraw/zinc/32/22/28/608322228.db2.gz FHTMWILQZAYSOU-NSHDSACASA-N -1 3 391.522 3.863 20 0 GHADHM CCO[C@@H](C)c1nc(CSCc2ccc(-c3nn[n-]n3)cc2OC)cs1 ZINC000825576378 608322230 /nfs/dbraw/zinc/32/22/30/608322230.db2.gz FHTMWILQZAYSOU-NSHDSACASA-N -1 3 391.522 3.863 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1nc(-c2cccc(C)c2)no1 ZINC000826173586 608322607 /nfs/dbraw/zinc/32/26/07/608322607.db2.gz KZLBQTWVYCTTTE-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1nc(-c2cccc(C)c2)no1 ZINC000826173586 608322609 /nfs/dbraw/zinc/32/26/09/608322609.db2.gz KZLBQTWVYCTTTE-UHFFFAOYSA-N -1 3 394.460 3.667 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)Nc1ccsc1 ZINC000826441064 608339661 /nfs/dbraw/zinc/33/96/61/608339661.db2.gz MIZLGYVRZPSXII-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)Nc1ccsc1 ZINC000826441064 608339663 /nfs/dbraw/zinc/33/96/63/608339663.db2.gz MIZLGYVRZPSXII-UHFFFAOYSA-N -1 3 376.445 3.917 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825115415 608346803 /nfs/dbraw/zinc/34/68/03/608346803.db2.gz XQYJLIZELMZNPI-UHFFFAOYSA-N -1 3 387.875 3.744 20 0 GHADHM CCC(CC)n1nccc1C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825115415 608346805 /nfs/dbraw/zinc/34/68/05/608346805.db2.gz XQYJLIZELMZNPI-UHFFFAOYSA-N -1 3 387.875 3.744 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)N(C)Cc1ccccc1 ZINC000824046553 608348017 /nfs/dbraw/zinc/34/80/17/608348017.db2.gz TVDNCWWGCKBHOQ-ZDUSSCGKSA-N -1 3 398.536 3.685 20 0 GHADHM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)N(C)Cc1ccccc1 ZINC000824046553 608348019 /nfs/dbraw/zinc/34/80/19/608348019.db2.gz TVDNCWWGCKBHOQ-ZDUSSCGKSA-N -1 3 398.536 3.685 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824352880 608452928 /nfs/dbraw/zinc/45/29/28/608452928.db2.gz QSUXJZUIBYKRAH-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM CC(C)c1ccccc1OCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824352880 608452929 /nfs/dbraw/zinc/45/29/29/608452929.db2.gz QSUXJZUIBYKRAH-UHFFFAOYSA-N -1 3 384.411 3.642 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826324349 608458723 /nfs/dbraw/zinc/45/87/23/608458723.db2.gz NNHJURIBUXJZJX-UHFFFAOYSA-N -1 3 396.520 3.952 20 0 GHADHM Cc1nc(C2CCCCC2)sc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826324349 608458725 /nfs/dbraw/zinc/45/87/25/608458725.db2.gz NNHJURIBUXJZJX-UHFFFAOYSA-N -1 3 396.520 3.952 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000825972255 608459072 /nfs/dbraw/zinc/45/90/72/608459072.db2.gz YDZYENBCJXKUID-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000825972255 608459074 /nfs/dbraw/zinc/45/90/74/608459074.db2.gz YDZYENBCJXKUID-UHFFFAOYSA-N -1 3 395.772 3.811 20 0 GHADHM C[C@H](c1nnc(-c2ccccc2)o1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824780013 608467226 /nfs/dbraw/zinc/46/72/26/608467226.db2.gz ZJGYKICCYHPEPI-OAHLLOKOSA-N -1 3 399.458 3.767 20 0 GHADHM CSc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826231702 608469110 /nfs/dbraw/zinc/46/91/10/608469110.db2.gz WQPOTRLKQNDRCD-UHFFFAOYSA-N -1 3 392.488 3.910 20 0 GHADHM CSc1ccccc1NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826231702 608469112 /nfs/dbraw/zinc/46/91/12/608469112.db2.gz WQPOTRLKQNDRCD-UHFFFAOYSA-N -1 3 392.488 3.910 20 0 GHADHM Cc1ccccc1NC(=S)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307600 608475611 /nfs/dbraw/zinc/47/56/11/608475611.db2.gz OUYYSFFQNYLIFL-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM Cc1ccccc1NC(=S)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826307600 608475613 /nfs/dbraw/zinc/47/56/13/608475613.db2.gz OUYYSFFQNYLIFL-UHFFFAOYSA-N -1 3 376.489 3.661 20 0 GHADHM O=C(NOC1CCCC1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826449645 608477134 /nfs/dbraw/zinc/47/71/34/608477134.db2.gz CLNAXWORNDQOGJ-UHFFFAOYSA-N -1 3 381.461 3.622 20 0 GHADHM O=C(NOC1CCCC1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826449645 608477135 /nfs/dbraw/zinc/47/71/35/608477135.db2.gz CLNAXWORNDQOGJ-UHFFFAOYSA-N -1 3 381.461 3.622 20 0 GHADHM Cc1cc(C)cc(C2(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)CC2)c1 ZINC000826264527 608478810 /nfs/dbraw/zinc/47/88/10/608478810.db2.gz REXVFLBRJPNNBH-UHFFFAOYSA-N -1 3 399.498 3.831 20 0 GHADHM Cc1cc(C)cc(C2(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)CC2)c1 ZINC000826264527 608478812 /nfs/dbraw/zinc/47/88/12/608478812.db2.gz REXVFLBRJPNNBH-UHFFFAOYSA-N -1 3 399.498 3.831 20 0 GHADHM CSc1ccc(C)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826230534 608478905 /nfs/dbraw/zinc/47/89/05/608478905.db2.gz XSZUCJQEPBEGJX-UHFFFAOYSA-N -1 3 391.500 3.827 20 0 GHADHM CSc1ccc(C)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826230534 608478907 /nfs/dbraw/zinc/47/89/07/608478907.db2.gz XSZUCJQEPBEGJX-UHFFFAOYSA-N -1 3 391.500 3.827 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824728388 608479763 /nfs/dbraw/zinc/47/97/63/608479763.db2.gz FRJVHCNXEAZESP-INIZCTEOSA-N -1 3 395.507 3.610 20 0 GHADHM C[C@H](OC1CCCCCC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824728388 608479765 /nfs/dbraw/zinc/47/97/65/608479765.db2.gz FRJVHCNXEAZESP-INIZCTEOSA-N -1 3 395.507 3.610 20 0 GHADHM O=C(c1cccc(C(F)(F)F)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474081 608485438 /nfs/dbraw/zinc/48/54/38/608485438.db2.gz ZKLBPAPUFWFACE-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM O=C(c1cccc(C(F)(F)F)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474081 608485439 /nfs/dbraw/zinc/48/54/39/608485439.db2.gz ZKLBPAPUFWFACE-UHFFFAOYSA-N -1 3 399.376 3.815 20 0 GHADHM Cc1ccc2[nH]c(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2c1C ZINC000826293435 608486900 /nfs/dbraw/zinc/48/69/00/608486900.db2.gz PCWPIRCYEQHQBY-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM Cc1ccc2[nH]c(C(=O)N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)cc2c1C ZINC000826293435 608486901 /nfs/dbraw/zinc/48/69/01/608486901.db2.gz PCWPIRCYEQHQBY-UHFFFAOYSA-N -1 3 398.470 3.894 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826429381 608492076 /nfs/dbraw/zinc/49/20/76/608492076.db2.gz AYECVHGXBJBYEZ-RYGJVYDSSA-N -1 3 392.507 3.634 20 0 GHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826429381 608492079 /nfs/dbraw/zinc/49/20/79/608492079.db2.gz AYECVHGXBJBYEZ-RYGJVYDSSA-N -1 3 392.507 3.634 20 0 GHADHM CCN(Cc1c(Cl)nc2ccccn21)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428417 608550132 /nfs/dbraw/zinc/55/01/32/608550132.db2.gz MJKWLAPENLEGGJ-CYBMUJFWSA-N -1 3 381.871 3.751 20 0 GHADHM CC1(c2cccc(Br)c2)CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824844550 608553345 /nfs/dbraw/zinc/55/33/45/608553345.db2.gz XXHIPXFMSRABDX-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM CC1(c2cccc(Br)c2)CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824844550 608553346 /nfs/dbraw/zinc/55/33/46/608553346.db2.gz XXHIPXFMSRABDX-UHFFFAOYSA-N -1 3 399.296 3.582 20 0 GHADHM CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371757 608582398 /nfs/dbraw/zinc/58/23/98/608582398.db2.gz KFWXVKBKOKPDNV-OAHLLOKOSA-N -1 3 388.475 3.890 20 0 GHADHM CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371757 608582402 /nfs/dbraw/zinc/58/24/02/608582402.db2.gz KFWXVKBKOKPDNV-OAHLLOKOSA-N -1 3 388.475 3.890 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000825788448 608660279 /nfs/dbraw/zinc/66/02/79/608660279.db2.gz QTYOOVMFZNNOLP-INIZCTEOSA-N -1 3 379.493 3.635 20 0 GHADHM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000825788448 608660280 /nfs/dbraw/zinc/66/02/80/608660280.db2.gz QTYOOVMFZNNOLP-INIZCTEOSA-N -1 3 379.493 3.635 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824371485 608696598 /nfs/dbraw/zinc/69/65/98/608696598.db2.gz HRILHRBKGVDOJZ-QGZVFWFLSA-N -1 3 377.452 3.727 20 0 GHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824371485 608696600 /nfs/dbraw/zinc/69/66/00/608696600.db2.gz HRILHRBKGVDOJZ-QGZVFWFLSA-N -1 3 377.452 3.727 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826162571 608764129 /nfs/dbraw/zinc/76/41/29/608764129.db2.gz IQCHLZIRXURIAT-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM COCCOc1ccc(C(F)(F)F)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826162571 608764134 /nfs/dbraw/zinc/76/41/34/608764134.db2.gz IQCHLZIRXURIAT-UHFFFAOYSA-N -1 3 393.369 3.523 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826288480 608765342 /nfs/dbraw/zinc/76/53/42/608765342.db2.gz IVAWIVHNXZTERE-UHFFFAOYSA-N -1 3 398.470 3.717 20 0 GHADHM Cc1ccc(CNC(=O)c2ccccc2NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826288480 608765343 /nfs/dbraw/zinc/76/53/43/608765343.db2.gz IVAWIVHNXZTERE-UHFFFAOYSA-N -1 3 398.470 3.717 20 0 GHADHM FC(F)(F)[C@H]1C[C@H](Nc2cnccc2-c2nnn[n-]2)C[C@@H](C(F)(F)F)C1 ZINC000826367127 608772634 /nfs/dbraw/zinc/77/26/34/608772634.db2.gz NCJNXIMDJDFHIR-BRPSZJMVSA-N -1 3 380.296 3.583 20 0 GHADHM FC(F)(F)[C@H]1C[C@H](Nc2cnccc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)C1 ZINC000826367127 608772636 /nfs/dbraw/zinc/77/26/36/608772636.db2.gz NCJNXIMDJDFHIR-BRPSZJMVSA-N -1 3 380.296 3.583 20 0 GHADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334844 608868634 /nfs/dbraw/zinc/86/86/34/608868634.db2.gz LTYAOIOHTOVPSS-UHFFFAOYSA-N -1 3 393.882 3.994 20 0 GHADHM CSc1ccccc1CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826230720 609163122 /nfs/dbraw/zinc/16/31/22/609163122.db2.gz HFSSIYITLCYXQE-UHFFFAOYSA-N -1 3 381.505 3.568 20 0 GHADHM CSc1ccccc1CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826230720 609163125 /nfs/dbraw/zinc/16/31/25/609163125.db2.gz HFSSIYITLCYXQE-UHFFFAOYSA-N -1 3 381.505 3.568 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)s1 ZINC000826323995 609168758 /nfs/dbraw/zinc/16/87/58/609168758.db2.gz AKUXPSLWDZGKHV-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM Cc1nc(C)c(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)s1 ZINC000826323995 609168759 /nfs/dbraw/zinc/16/87/59/609168759.db2.gz AKUXPSLWDZGKHV-UHFFFAOYSA-N -1 3 393.476 3.600 20 0 GHADHM CC(C)CCCS[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824244105 609181631 /nfs/dbraw/zinc/18/16/31/609181631.db2.gz QPYOGQKFLKGDGL-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM CC(C)CCCS[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824244105 609181633 /nfs/dbraw/zinc/18/16/33/609181633.db2.gz QPYOGQKFLKGDGL-LLVKDONJSA-N -1 3 379.555 3.913 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccnc(O[C@@H](C)CC)c2)c1-c1nnn[n-]1 ZINC000825687677 609183301 /nfs/dbraw/zinc/18/33/01/609183301.db2.gz LMZMGEXVLLBIJT-JTQLQIEISA-N -1 3 386.481 3.624 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccnc(O[C@@H](C)CC)c2)c1-c1nn[n-]n1 ZINC000825687677 609183302 /nfs/dbraw/zinc/18/33/02/609183302.db2.gz LMZMGEXVLLBIJT-JTQLQIEISA-N -1 3 386.481 3.624 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccc2nccn21 ZINC000826456839 609184701 /nfs/dbraw/zinc/18/47/01/609184701.db2.gz ACHNUXSPXYWKAM-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cc1ccccc1 ZINC000033236073 609185594 /nfs/dbraw/zinc/18/55/94/609185594.db2.gz XMSLNUXIPJVQMK-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cc1ccccc1 ZINC000033236073 609185596 /nfs/dbraw/zinc/18/55/96/609185596.db2.gz XMSLNUXIPJVQMK-UHFFFAOYSA-N -1 3 385.427 3.718 20 0 GHADHM O=C(Nc1ccccc1SC1CCCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826457420 609196973 /nfs/dbraw/zinc/19/69/73/609196973.db2.gz AHECTYWIDVDTJU-SFHVURJKSA-N -1 3 395.488 3.574 20 0 GHADHM O=C(Nc1ccccc1SC1CCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826457420 609196975 /nfs/dbraw/zinc/19/69/75/609196975.db2.gz AHECTYWIDVDTJU-SFHVURJKSA-N -1 3 395.488 3.574 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824771178 609218732 /nfs/dbraw/zinc/21/87/32/609218732.db2.gz QFGAUAAGLLMIPC-SNVBAGLBSA-N -1 3 390.369 3.579 20 0 GHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824771178 609218733 /nfs/dbraw/zinc/21/87/33/609218733.db2.gz QFGAUAAGLLMIPC-SNVBAGLBSA-N -1 3 390.369 3.579 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000825599890 609240438 /nfs/dbraw/zinc/24/04/38/609240438.db2.gz TYIMDCAFOVQWCL-MRXNPFEDSA-N -1 3 381.480 3.901 20 0 GHADHM CCOCCOCc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000825599890 609240439 /nfs/dbraw/zinc/24/04/39/609240439.db2.gz TYIMDCAFOVQWCL-MRXNPFEDSA-N -1 3 381.480 3.901 20 0 GHADHM C[C@@H](Nc1cccc2c1CN(c1ccccn1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824662583 609252883 /nfs/dbraw/zinc/25/28/83/609252883.db2.gz NPAZKESFYWZXNT-OAHLLOKOSA-N -1 3 383.459 3.955 20 0 GHADHM C[C@@H](Nc1cccc2c1CN(c1ccccn1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824662583 609252885 /nfs/dbraw/zinc/25/28/85/609252885.db2.gz NPAZKESFYWZXNT-OAHLLOKOSA-N -1 3 383.459 3.955 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1C1CCCCC1 ZINC000826234802 609269461 /nfs/dbraw/zinc/26/94/61/609269461.db2.gz OTBDTVVKYADNEL-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1C1CCCCC1 ZINC000826234802 609269463 /nfs/dbraw/zinc/26/94/63/609269463.db2.gz OTBDTVVKYADNEL-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cnn(C2CCCCC2)c1C ZINC000825627397 609280231 /nfs/dbraw/zinc/28/02/31/609280231.db2.gz YMRDESZAHZCFDE-UHFFFAOYSA-N -1 3 395.467 3.528 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnn(C2CCCCC2)c1C ZINC000825627397 609280232 /nfs/dbraw/zinc/28/02/32/609280232.db2.gz YMRDESZAHZCFDE-UHFFFAOYSA-N -1 3 395.467 3.528 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc(OC)c1C(C)C ZINC000826177761 609282277 /nfs/dbraw/zinc/28/22/77/609282277.db2.gz UOQNEQGJUOXVJN-UHFFFAOYSA-N -1 3 381.436 3.568 20 0 GHADHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc(OC)c1C(C)C ZINC000826177761 609282279 /nfs/dbraw/zinc/28/22/79/609282279.db2.gz UOQNEQGJUOXVJN-UHFFFAOYSA-N -1 3 381.436 3.568 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cnn1C1CCCCC1 ZINC000826234754 609284562 /nfs/dbraw/zinc/28/45/62/609284562.db2.gz MMPAHTSQEHBJBP-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cnn1C1CCCCC1 ZINC000826234754 609284564 /nfs/dbraw/zinc/28/45/64/609284564.db2.gz MMPAHTSQEHBJBP-UHFFFAOYSA-N -1 3 385.859 3.783 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000826473429 609289263 /nfs/dbraw/zinc/28/92/63/609289263.db2.gz XXVHQAWFFFSRRA-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000826473429 609289264 /nfs/dbraw/zinc/28/92/64/609289264.db2.gz XXVHQAWFFFSRRA-UHFFFAOYSA-N -1 3 399.857 3.754 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825639277 609296547 /nfs/dbraw/zinc/29/65/47/609296547.db2.gz VYIUXGONXPQNJT-GOSISDBHSA-N -1 3 397.866 3.896 20 0 GHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825639277 609296549 /nfs/dbraw/zinc/29/65/49/609296549.db2.gz VYIUXGONXPQNJT-GOSISDBHSA-N -1 3 397.866 3.896 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H](F)Cc1ccccc1 ZINC000826459733 609304739 /nfs/dbraw/zinc/30/47/39/609304739.db2.gz XKUXAUWHNLKAQC-OAHLLOKOSA-N -1 3 394.435 3.510 20 0 GHADHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H](F)Cc1ccccc1 ZINC000826459733 609304740 /nfs/dbraw/zinc/30/47/40/609304740.db2.gz XKUXAUWHNLKAQC-OAHLLOKOSA-N -1 3 394.435 3.510 20 0 GHADHM Cc1nnc(SCCCOc2cccc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826336909 609308772 /nfs/dbraw/zinc/30/87/72/609308772.db2.gz UALXWZNOGRRRSX-UHFFFAOYSA-N -1 3 392.488 3.988 20 0 GHADHM Cc1nnc(SCCCOc2cccc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826336909 609308775 /nfs/dbraw/zinc/30/87/75/609308775.db2.gz UALXWZNOGRRRSX-UHFFFAOYSA-N -1 3 392.488 3.988 20 0 GHADHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(C)c1 ZINC000824029849 609310190 /nfs/dbraw/zinc/31/01/90/609310190.db2.gz RFBSSCKBDZCCFY-UHFFFAOYSA-N -1 3 387.237 3.719 20 0 GHADHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(C)c1 ZINC000824029849 609310191 /nfs/dbraw/zinc/31/01/91/609310191.db2.gz RFBSSCKBDZCCFY-UHFFFAOYSA-N -1 3 387.237 3.719 20 0 GHADHM Fc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826374900 609320507 /nfs/dbraw/zinc/32/05/07/609320507.db2.gz QTWAZXOXBXVNTD-UHFFFAOYSA-N -1 3 387.781 3.596 20 0 GHADHM COCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000826155022 609322635 /nfs/dbraw/zinc/32/26/35/609322635.db2.gz CUDFTCSMJRMDOF-CQSZACIVSA-N -1 3 381.358 3.977 20 0 GHADHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000826155022 609322637 /nfs/dbraw/zinc/32/26/37/609322637.db2.gz CUDFTCSMJRMDOF-CQSZACIVSA-N -1 3 381.358 3.977 20 0 GHADHM O=C(Nc1cccc2nccn21)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826457394 609324606 /nfs/dbraw/zinc/32/46/06/609324606.db2.gz ZMPIKMFHJAPPEZ-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1cccc2nccn21)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826457394 609324608 /nfs/dbraw/zinc/32/46/08/609324608.db2.gz ZMPIKMFHJAPPEZ-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000826180320 609347940 /nfs/dbraw/zinc/34/79/40/609347940.db2.gz BPPMLJXXVOZZQA-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM COc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000826180320 609347943 /nfs/dbraw/zinc/34/79/43/609347943.db2.gz BPPMLJXXVOZZQA-SECBINFHSA-N -1 3 392.232 3.950 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)C1 ZINC000824917077 609367723 /nfs/dbraw/zinc/36/77/23/609367723.db2.gz MAWZRQQWGABSEG-APPDUMDISA-N -1 3 376.917 3.729 20 0 GHADHM C[C@H]1CC[C@@]2(CCN(C(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)C1 ZINC000824917077 609367726 /nfs/dbraw/zinc/36/77/26/609367726.db2.gz MAWZRQQWGABSEG-APPDUMDISA-N -1 3 376.917 3.729 20 0 GHADHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(SC(F)F)cc1 ZINC000826483474 609369968 /nfs/dbraw/zinc/36/99/68/609369968.db2.gz ORGIWGUPYNTJEP-NTEUORMPSA-N -1 3 399.382 3.526 20 0 GHADHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(SC(F)F)cc1 ZINC000826483474 609369970 /nfs/dbraw/zinc/36/99/70/609369970.db2.gz ORGIWGUPYNTJEP-NTEUORMPSA-N -1 3 399.382 3.526 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249849 609375111 /nfs/dbraw/zinc/37/51/11/609375111.db2.gz VSQQYTBTHYWEGT-QFBILLFUSA-N -1 3 385.512 3.697 20 0 GHADHM CC(C)CN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249849 609375114 /nfs/dbraw/zinc/37/51/14/609375114.db2.gz VSQQYTBTHYWEGT-QFBILLFUSA-N -1 3 385.512 3.697 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824946128 609378588 /nfs/dbraw/zinc/37/85/88/609378588.db2.gz HRKMZWBGGCKZCQ-SUMWQHHRSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824946128 609378589 /nfs/dbraw/zinc/37/85/89/609378589.db2.gz HRKMZWBGGCKZCQ-SUMWQHHRSA-N -1 3 396.426 3.871 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCO1 ZINC000824883242 609388359 /nfs/dbraw/zinc/38/83/59/609388359.db2.gz FVTQXADMJWWDJG-GJZGRUSLSA-N -1 3 378.432 3.506 20 0 GHADHM C[C@H]1C[C@@H](COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCO1 ZINC000824883242 609388361 /nfs/dbraw/zinc/38/83/61/609388361.db2.gz FVTQXADMJWWDJG-GJZGRUSLSA-N -1 3 378.432 3.506 20 0 GHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000824215857 609389292 /nfs/dbraw/zinc/38/92/92/609389292.db2.gz NCOIURWOEGBBJB-IAQYHMDHSA-N -1 3 397.401 3.665 20 0 GHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000824215857 609389294 /nfs/dbraw/zinc/38/92/94/609389294.db2.gz NCOIURWOEGBBJB-IAQYHMDHSA-N -1 3 397.401 3.665 20 0 GHADHM CSc1ccc(C)c(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826230419 609409080 /nfs/dbraw/zinc/40/90/80/609409080.db2.gz SDBLVOQOUJNDGF-QGZVFWFLSA-N -1 3 394.504 3.505 20 0 GHADHM CSc1ccc(C)c(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826230419 609409083 /nfs/dbraw/zinc/40/90/83/609409083.db2.gz SDBLVOQOUJNDGF-QGZVFWFLSA-N -1 3 394.504 3.505 20 0 GHADHM CC(C)Oc1ccc(NCc2ccn(-c3cccc(F)c3)n2)cc1-c1nnn[n-]1 ZINC000824329221 609439269 /nfs/dbraw/zinc/43/92/69/609439269.db2.gz LUAOOXRCNPSWIZ-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM CC(C)Oc1ccc(NCc2ccn(-c3cccc(F)c3)n2)cc1-c1nn[n-]n1 ZINC000824329221 609439272 /nfs/dbraw/zinc/43/92/72/609439272.db2.gz LUAOOXRCNPSWIZ-UHFFFAOYSA-N -1 3 393.426 3.591 20 0 GHADHM FC(F)(F)c1cc(SCc2nnc(-c3ccco3)o2)ccc1-c1nnn[n-]1 ZINC000826368507 609453878 /nfs/dbraw/zinc/45/38/78/609453878.db2.gz RRJYPTBWPLSTNC-UHFFFAOYSA-N -1 3 394.338 3.821 20 0 GHADHM FC(F)(F)c1cc(SCc2nnc(-c3ccco3)o2)ccc1-c1nn[n-]n1 ZINC000826368507 609453881 /nfs/dbraw/zinc/45/38/81/609453881.db2.gz RRJYPTBWPLSTNC-UHFFFAOYSA-N -1 3 394.338 3.821 20 0 GHADHM CCOCc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1OC ZINC000825603816 609478816 /nfs/dbraw/zinc/47/88/16/609478816.db2.gz CXHCMIYXZVIWKF-UHFFFAOYSA-N -1 3 397.479 3.811 20 0 GHADHM CCOCc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)ccc1OC ZINC000825603816 609478818 /nfs/dbraw/zinc/47/88/18/609478818.db2.gz CXHCMIYXZVIWKF-UHFFFAOYSA-N -1 3 397.479 3.811 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1NC(=O)C(C)(C)C ZINC000826291588 609479431 /nfs/dbraw/zinc/47/94/31/609479431.db2.gz MQJIIJIUOBMETH-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1NC(=O)C(C)(C)C ZINC000826291588 609479434 /nfs/dbraw/zinc/47/94/34/609479434.db2.gz MQJIIJIUOBMETH-UHFFFAOYSA-N -1 3 382.443 3.911 20 0 GHADHM CCOc1c(Cl)cc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc1OC ZINC000825603776 609480483 /nfs/dbraw/zinc/48/04/83/609480483.db2.gz BXIZNGVYUBVSAJ-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1c(Cl)cc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc1OC ZINC000825603776 609480485 /nfs/dbraw/zinc/48/04/85/609480485.db2.gz BXIZNGVYUBVSAJ-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(F)c(OC(C)C)c(F)c1 ZINC000826170860 609482215 /nfs/dbraw/zinc/48/22/15/609482215.db2.gz RXZLHZFZJZCPGD-UHFFFAOYSA-N -1 3 375.379 3.553 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(F)c(OC(C)C)c(F)c1 ZINC000826170860 609482218 /nfs/dbraw/zinc/48/22/18/609482218.db2.gz RXZLHZFZJZCPGD-UHFFFAOYSA-N -1 3 375.379 3.553 20 0 GHADHM CCOc1cc(CNc2cccc(-c3nnn[n-]3)c2C)ccc1OC(F)F ZINC000825615832 609485331 /nfs/dbraw/zinc/48/53/31/609485331.db2.gz MKUQHAQZNVOMBE-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM CCOc1cc(CNc2cccc(-c3nn[n-]n3)c2C)ccc1OC(F)F ZINC000825615832 609485333 /nfs/dbraw/zinc/48/53/33/609485333.db2.gz MKUQHAQZNVOMBE-UHFFFAOYSA-N -1 3 375.379 3.787 20 0 GHADHM Cc1c(NCc2csc(COc3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000826242892 609486557 /nfs/dbraw/zinc/48/65/57/609486557.db2.gz KYRILOYQRDDNFN-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1c(NCc2csc(COc3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000826242892 609486559 /nfs/dbraw/zinc/48/65/59/609486559.db2.gz KYRILOYQRDDNFN-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000826315953 609490545 /nfs/dbraw/zinc/49/05/45/609490545.db2.gz ZGXYGGHUHJBEBS-BQYQJAHWSA-N -1 3 388.456 3.951 20 0 GHADHM Cc1ccncc1C=CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826315953 609490547 /nfs/dbraw/zinc/49/05/47/609490547.db2.gz ZGXYGGHUHJBEBS-BQYQJAHWSA-N -1 3 388.456 3.951 20 0 GHADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000824309846 609491549 /nfs/dbraw/zinc/49/15/49/609491549.db2.gz XDTNEMXHJFYTAR-UHFFFAOYSA-N -1 3 397.504 3.838 20 0 GHADHM CC(C)OCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000824309846 609491552 /nfs/dbraw/zinc/49/15/52/609491552.db2.gz XDTNEMXHJFYTAR-UHFFFAOYSA-N -1 3 397.504 3.838 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825180661 609504092 /nfs/dbraw/zinc/50/40/92/609504092.db2.gz ABZSHNRGTZBAHL-MSOLQXFVSA-N -1 3 378.432 3.644 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825180661 609504093 /nfs/dbraw/zinc/50/40/93/609504093.db2.gz ABZSHNRGTZBAHL-MSOLQXFVSA-N -1 3 378.432 3.644 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826461297 609510206 /nfs/dbraw/zinc/51/02/06/609510206.db2.gz OLXNLQRTNMMCIN-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000826461297 609510207 /nfs/dbraw/zinc/51/02/07/609510207.db2.gz OLXNLQRTNMMCIN-UHFFFAOYSA-N -1 3 390.400 3.582 20 0 GHADHM CC[C@H]1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825182648 609525218 /nfs/dbraw/zinc/52/52/18/609525218.db2.gz LKVGAWMDKVPCFI-MSOLQXFVSA-N -1 3 391.475 3.605 20 0 GHADHM CC[C@H]1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825182648 609525220 /nfs/dbraw/zinc/52/52/20/609525220.db2.gz LKVGAWMDKVPCFI-MSOLQXFVSA-N -1 3 391.475 3.605 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)s1 ZINC000825694619 609532282 /nfs/dbraw/zinc/53/22/82/609532282.db2.gz WXGCNQGHIAYFLP-CQSZACIVSA-N -1 3 383.477 3.637 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)s1 ZINC000825694619 609532284 /nfs/dbraw/zinc/53/22/84/609532284.db2.gz WXGCNQGHIAYFLP-CQSZACIVSA-N -1 3 383.477 3.637 20 0 GHADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c(C)c1 ZINC000826317575 609533225 /nfs/dbraw/zinc/53/32/25/609533225.db2.gz HRKDXUYALRVWSS-UHFFFAOYSA-N -1 3 382.493 3.851 20 0 GHADHM Cc1cnc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c(C)c1 ZINC000826317575 609533227 /nfs/dbraw/zinc/53/32/27/609533227.db2.gz HRKDXUYALRVWSS-UHFFFAOYSA-N -1 3 382.493 3.851 20 0 GHADHM Cc1cnc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c(C)c1 ZINC000826317962 609539387 /nfs/dbraw/zinc/53/93/87/609539387.db2.gz QTOXTEMNHMDDTI-UHFFFAOYSA-N -1 3 386.415 3.923 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826238827 609541403 /nfs/dbraw/zinc/54/14/03/609541403.db2.gz QGZGTTKYHBZTTA-GFCCVEGCSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826238827 609541405 /nfs/dbraw/zinc/54/14/05/609541405.db2.gz QGZGTTKYHBZTTA-GFCCVEGCSA-N -1 3 397.870 3.523 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826237434 609542245 /nfs/dbraw/zinc/54/22/45/609542245.db2.gz ZJGSGMDRTCOIIF-YJBOKZPZSA-N -1 3 398.898 3.828 20 0 GHADHM Cc1c(Cl)cnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826237434 609542246 /nfs/dbraw/zinc/54/22/46/609542246.db2.gz ZJGSGMDRTCOIIF-YJBOKZPZSA-N -1 3 398.898 3.828 20 0 GHADHM Cc1ccnc(NCc2ccc(Cn3cnc4ccccc43)cc2)c1-c1nnn[n-]1 ZINC000826313978 609542726 /nfs/dbraw/zinc/54/27/26/609542726.db2.gz AEYZDPAGXUECPW-UHFFFAOYSA-N -1 3 396.458 3.580 20 0 GHADHM Cc1ccnc(NCc2ccc(Cn3cnc4ccccc43)cc2)c1-c1nn[n-]n1 ZINC000826313978 609542728 /nfs/dbraw/zinc/54/27/28/609542728.db2.gz AEYZDPAGXUECPW-UHFFFAOYSA-N -1 3 396.458 3.580 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000826284494 609558838 /nfs/dbraw/zinc/55/88/38/609558838.db2.gz VKNWAXOEOGIYKM-UHFFFAOYSA-N -1 3 395.316 3.507 20 0 GHADHM Cc1ccc(C(F)(F)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000826284494 609558841 /nfs/dbraw/zinc/55/88/41/609558841.db2.gz VKNWAXOEOGIYKM-UHFFFAOYSA-N -1 3 395.316 3.507 20 0 GHADHM C[C@H]1C[C@H](C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC(C)(C)C1 ZINC000824866545 609562116 /nfs/dbraw/zinc/56/21/16/609562116.db2.gz MIAYUEGDYNIPKM-RDJZCZTQSA-N -1 3 397.523 3.699 20 0 GHADHM C[C@H]1C[C@H](C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC(C)(C)C1 ZINC000824866545 609562119 /nfs/dbraw/zinc/56/21/19/609562119.db2.gz MIAYUEGDYNIPKM-RDJZCZTQSA-N -1 3 397.523 3.699 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1c(-c3nnn[n-]3)cnc3c(F)cc(F)cc31)CCC2 ZINC000826328290 609565324 /nfs/dbraw/zinc/56/53/24/609565324.db2.gz MHIIQIWSFRQLHQ-AWEZNQCLSA-N -1 3 399.430 3.948 20 0 GHADHM Cc1nc2c(s1)[C@@H](Nc1c(-c3nn[n-]n3)cnc3c(F)cc(F)cc31)CCC2 ZINC000826328290 609565326 /nfs/dbraw/zinc/56/53/26/609565326.db2.gz MHIIQIWSFRQLHQ-AWEZNQCLSA-N -1 3 399.430 3.948 20 0 GHADHM COCC[C@@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826154223 609590110 /nfs/dbraw/zinc/59/01/10/609590110.db2.gz KVEXAWGVVRKBBI-LBPRGKRZSA-N -1 3 381.358 3.538 20 0 GHADHM COCC[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826154223 609590111 /nfs/dbraw/zinc/59/01/11/609590111.db2.gz KVEXAWGVVRKBBI-LBPRGKRZSA-N -1 3 381.358 3.538 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824722532 609590668 /nfs/dbraw/zinc/59/06/68/609590668.db2.gz JLKZSLJQSZTHNR-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824722532 609590670 /nfs/dbraw/zinc/59/06/70/609590670.db2.gz JLKZSLJQSZTHNR-AUUYWEPGSA-N -1 3 378.432 3.679 20 0 GHADHM 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GHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000659798601 838680399 /nfs/dbraw/zinc/68/03/99/838680399.db2.gz KBUZXXHVYIGGGD-NHYWBVRUSA-N -1 3 375.494 3.716 20 0 GHADHM C[C@@H]1C[C@H]1c1noc(CC2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000659798495 838681288 /nfs/dbraw/zinc/68/12/88/838681288.db2.gz FWULSSQLXREXLF-NJAPINKUSA-N -1 3 389.883 3.927 20 0 GHADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000533803299 838748841 /nfs/dbraw/zinc/74/88/41/838748841.db2.gz RRFMMBNTVOYSPV-GOEBONIOSA-N -1 3 390.480 3.793 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1 ZINC000548056693 838778669 /nfs/dbraw/zinc/77/86/69/838778669.db2.gz OPFYDJPRZYJLOS-UHFFFAOYSA-N -1 3 393.443 3.820 20 0 GHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)c1F ZINC000580079745 838827208 /nfs/dbraw/zinc/82/72/08/838827208.db2.gz AZVXDVQOKSUFEI-UHFFFAOYSA-N -1 3 382.363 3.615 20 0 GHADHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000893206504 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377.282 3.807 20 0 GHADHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000580261340 839152611 /nfs/dbraw/zinc/15/26/11/839152611.db2.gz AMZUHWQIUGDGOG-MRXNPFEDSA-N -1 3 376.243 3.952 20 0 GHADHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000416505032 839332233 /nfs/dbraw/zinc/33/22/33/839332233.db2.gz ZXXHTFBOFZCSDP-SNVBAGLBSA-N -1 3 385.835 3.842 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(SC)cc1)c1cccc(C)c1C ZINC000472737443 839340688 /nfs/dbraw/zinc/34/06/88/839340688.db2.gz QBBGOVWDKJMNHK-GOSISDBHSA-N -1 3 393.530 3.608 20 0 GHADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000416535911 839373619 /nfs/dbraw/zinc/37/36/19/839373619.db2.gz KMPUIPSFNHHKQK-GFCCVEGCSA-N -1 3 390.402 3.929 20 0 GHADHM C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@@]1(C)C(=O)[O-] ZINC000580440620 839561452 /nfs/dbraw/zinc/56/14/52/839561452.db2.gz KGSDTRAJKXMHBN-PIGZYNQJSA-N -1 3 379.254 3.647 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c1 ZINC000184854099 839562266 /nfs/dbraw/zinc/56/22/66/839562266.db2.gz RYLCTEOBHVLHCY-UHFFFAOYSA-N -1 3 385.383 3.852 20 0 GHADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000580456910 839585540 /nfs/dbraw/zinc/58/55/40/839585540.db2.gz WXDUFVULCYIFHG-APWZRJJASA-N -1 3 386.879 3.636 20 0 GHADHM O=S(=O)([N-]C1(Cc2ccccc2)CCOCC1)c1cc(F)ccc1Cl ZINC000580517464 839729242 /nfs/dbraw/zinc/72/92/42/839729242.db2.gz FFBRCYIITZJMMK-UHFFFAOYSA-N -1 3 383.872 3.549 20 0 GHADHM O=C(NCCc1cccc(-c2ccccc2)c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000471595838 839830234 /nfs/dbraw/zinc/83/02/34/839830234.db2.gz VPBMUOJRRTVVKZ-UHFFFAOYSA-N -1 3 385.423 3.601 20 0 GHADHM O=c1cc(CSCc2nc(-c3cc(F)c(F)c(F)c3)no2)nc(C2CC2)[n-]1 ZINC000580706216 840036648 /nfs/dbraw/zinc/03/66/48/840036648.db2.gz RZZZKBDYDZCCTD-UHFFFAOYSA-N -1 3 394.378 3.960 20 0 GHADHM Cc1cc2sc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])nc2c(C)c1 ZINC000048029755 840204841 /nfs/dbraw/zinc/20/48/41/840204841.db2.gz PLWHXPUTLDHVIU-HNNXBMFYSA-N -1 3 395.484 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CC(C)(C)OC(=O)C[C@H](NCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000417655006 841106135 /nfs/dbraw/zinc/10/61/35/841106135.db2.gz BXQCUKYJQFANNZ-INIZCTEOSA-N -1 3 397.899 3.936 20 0 GHADHM CCCN1C[C@@H](c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CC1=O ZINC000643145007 841173723 /nfs/dbraw/zinc/17/37/23/841173723.db2.gz QNCXANBBNSATMW-KRWDZBQOSA-N -1 3 377.444 3.759 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000651630978 841177948 /nfs/dbraw/zinc/17/79/48/841177948.db2.gz XVRVBJHHNOSIMO-NEPJUHHUSA-N -1 3 396.372 3.691 20 0 GHADHM COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c(C)c2c1 ZINC000592469350 841271231 /nfs/dbraw/zinc/27/12/31/841271231.db2.gz OEDKNFOPOWTBGB-LLVKDONJSA-N -1 3 393.399 3.516 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C)c1c(F)cncc1F ZINC000651704585 841404728 /nfs/dbraw/zinc/40/47/28/841404728.db2.gz OEACNKXVFZBALS-ZETCQYMHSA-N -1 3 397.266 3.532 20 0 GHADHM O=C(CC1CCCC1)NC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000684280538 841515703 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20 0 GHADHM N#CC(=Cc1ccc([O-])cc1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000185704595 861219728 /nfs/dbraw/zinc/21/97/28/861219728.db2.gz LULQOMREZOCKAT-YPOUMIDOSA-N -1 3 378.403 3.560 20 0 GHADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)n1 ZINC000510435637 841785072 /nfs/dbraw/zinc/78/50/72/841785072.db2.gz VKMUYFMVDUHFAF-CQSZACIVSA-N -1 3 377.313 3.739 20 0 GHADHM O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1ncccc1[O-] ZINC000684351074 841839027 /nfs/dbraw/zinc/83/90/27/841839027.db2.gz QBQFXTSUVNFKAR-UHFFFAOYSA-N -1 3 393.390 3.788 20 0 GHADHM O=C(N[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccccc1)c1ccc([O-])cc1 ZINC000184176740 841859849 /nfs/dbraw/zinc/85/98/49/841859849.db2.gz YQUVHLWGTWMVIJ-SVFBPWRDSA-N -1 3 378.472 3.512 20 0 GHADHM COc1cc(-c2noc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)n2)ccc1C ZINC000656768397 841905366 /nfs/dbraw/zinc/90/53/66/841905366.db2.gz XRWAGWIRRXWLSE-ULQDDVLXSA-N -1 3 385.464 3.519 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(Cl)n1 ZINC000193309457 841914114 /nfs/dbraw/zinc/91/41/14/841914114.db2.gz NUIOENOVNLBLRG-UHFFFAOYSA-N -1 3 389.260 3.659 20 0 GHADHM Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cc([O-])cc(F)c4)CC3)n2)cc1 ZINC000473143940 842168099 /nfs/dbraw/zinc/16/80/99/842168099.db2.gz UUGXHULSMCIAAN-INIZCTEOSA-N -1 3 396.466 3.769 20 0 GHADHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000467016658 842189094 /nfs/dbraw/zinc/18/90/94/842189094.db2.gz XCVLGWDISADWDY-LLVKDONJSA-N -1 3 386.395 3.819 20 0 GHADHM CN(Cc1ccoc1)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430659943 842222984 /nfs/dbraw/zinc/22/29/84/842222984.db2.gz BTGCLUSIJWSMBI-UHFFFAOYSA-N -1 3 395.640 3.809 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc3ccccc32)cc1F ZINC001211675980 842355988 /nfs/dbraw/zinc/35/59/88/842355988.db2.gz YISGBMNQQAXEIR-MAUKXSAKSA-N -1 3 389.423 3.961 20 0 GHADHM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)on1 ZINC000328829384 842377631 /nfs/dbraw/zinc/37/76/31/842377631.db2.gz 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ZINC000319832616 842765627 /nfs/dbraw/zinc/76/56/27/842765627.db2.gz DBSVWBWJQTUKNI-UHFFFAOYSA-N -1 3 392.543 3.936 20 0 GHADHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001126200906 842807962 /nfs/dbraw/zinc/80/79/62/842807962.db2.gz ABIFAFPIBITNAE-CABCVRRESA-N -1 3 398.544 3.849 20 0 GHADHM COc1ccc(Br)cc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663261867 842937720 /nfs/dbraw/zinc/93/77/20/842937720.db2.gz NOKRNOGLLXSPLS-SNVBAGLBSA-N -1 3 384.192 3.591 20 0 GHADHM COc1ccc2[nH]c(C(=O)NCc3ccc([O-])c(Br)c3)cc2c1 ZINC000188452771 842960171 /nfs/dbraw/zinc/96/01/71/842960171.db2.gz NLPOBRHALODGFZ-UHFFFAOYSA-N -1 3 375.222 3.575 20 0 GHADHM O=c1[n-]nc(SCc2cc(-c3ccccc3)no2)n1CCc1ccccc1 ZINC000029876391 842964369 /nfs/dbraw/zinc/96/43/69/842964369.db2.gz ANNCFZHJEUFXSO-UHFFFAOYSA-N -1 3 378.457 3.761 20 0 GHADHM CC(C)[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000548382890 842965671 /nfs/dbraw/zinc/96/56/71/842965671.db2.gz UOPZOGFZSSAIDC-GFCCVEGCSA-N -1 3 377.282 3.799 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)c1 ZINC000184855911 842977674 /nfs/dbraw/zinc/97/76/74/842977674.db2.gz GSNPIHIFYBCKIX-UHFFFAOYSA-N -1 3 376.416 3.979 20 0 GHADHM Cn1nccc1CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000185391704 843012283 /nfs/dbraw/zinc/01/22/83/843012283.db2.gz JTOYIJPXCDPRNS-UHFFFAOYSA-N -1 3 378.457 3.974 20 0 GHADHM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000432304959 843062161 /nfs/dbraw/zinc/06/21/61/843062161.db2.gz FIRQMQLYJPNOHR-ZDUSSCGKSA-N -1 3 379.350 3.979 20 0 GHADHM O=C(CSc1cccc(C(F)(F)F)c1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512284630 843318654 /nfs/dbraw/zinc/31/86/54/843318654.db2.gz FTCRQUFQTJTVNS-UHFFFAOYSA-N -1 3 378.379 3.643 20 0 GHADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432644919 843345695 /nfs/dbraw/zinc/34/56/95/843345695.db2.gz UXLYNUYTIQBETJ-UHFFFAOYSA-N -1 3 388.258 3.844 20 0 GHADHM CCOC(=O)c1c(C)c2ccccc2nc1CSc1ncc(C(=O)OC)[n-]1 ZINC000432654457 843366516 /nfs/dbraw/zinc/36/65/16/843366516.db2.gz CWFRALVFJAKHHI-UHFFFAOYSA-N -1 3 385.445 3.522 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1sccc1Br ZINC001211734802 843417408 /nfs/dbraw/zinc/41/74/08/843417408.db2.gz STSVDROWLMNHOO-UHFFFAOYSA-N -1 3 398.706 3.923 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)cc1 ZINC000279866938 843441290 /nfs/dbraw/zinc/44/12/90/843441290.db2.gz GDMHFRSTFAUXMQ-UHFFFAOYSA-N -1 3 391.493 3.678 20 0 GHADHM Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c(C)o1 ZINC000512337184 843442841 /nfs/dbraw/zinc/44/28/41/843442841.db2.gz OQSOVQJBGUQDFE-UHFFFAOYSA-N -1 3 378.201 3.862 20 0 GHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000024437376 843572245 /nfs/dbraw/zinc/57/22/45/843572245.db2.gz XBEXJVZUYLHGJF-ZDUSSCGKSA-N -1 3 376.478 3.968 20 0 GHADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)s1 ZINC000500517783 843576925 /nfs/dbraw/zinc/57/69/25/843576925.db2.gz XFNICBJCIATZMV-JTQLQIEISA-N -1 3 381.500 3.789 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@@H]2CCCC[C@@H]2C)[nH][n-]1 ZINC000500566676 843651232 /nfs/dbraw/zinc/65/12/32/843651232.db2.gz FWDRRAIENFYGGC-BLLLJJGKSA-N -1 3 377.872 3.694 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CO[C@H]2CCCC[C@@H]2C)[nH][n-]1 ZINC000500566677 843651614 /nfs/dbraw/zinc/65/16/14/843651614.db2.gz FWDRRAIENFYGGC-LRDDRELGSA-N -1 3 377.872 3.694 20 0 GHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1 ZINC000431167331 843762339 /nfs/dbraw/zinc/76/23/39/843762339.db2.gz LOEGJVAXUSNCHU-UHFFFAOYSA-N -1 3 379.457 3.706 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)COc2ccccc2Cl)[nH][n-]1 ZINC000512854229 843891432 /nfs/dbraw/zinc/89/14/32/843891432.db2.gz IRAPSOVSWCGHIQ-UHFFFAOYSA-N -1 3 392.242 3.832 20 0 GHADHM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(-n2ccnc2)cc1C ZINC000576166392 843949108 /nfs/dbraw/zinc/94/91/08/843949108.db2.gz OHOXIEQTVVZIAZ-UHFFFAOYSA-N -1 3 383.448 3.511 20 0 GHADHM O=C(CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)NC1CCCC1 ZINC000028261695 843961629 /nfs/dbraw/zinc/96/16/29/843961629.db2.gz GZYRFURARDQMQP-UHFFFAOYSA-N -1 3 389.502 3.537 20 0 GHADHM CSCC[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780532243 844651474 /nfs/dbraw/zinc/65/14/74/844651474.db2.gz SQLDXKIEDPHCFU-DNVCBOLYSA-N -1 3 386.517 3.511 20 0 GHADHM O=C([O-])[C@@H](CSCCOc1ccccc1)NCc1ccc(Cl)cc1F ZINC000277139677 844723102 /nfs/dbraw/zinc/72/31/02/844723102.db2.gz BYDGWEBLBOZEDE-QGZVFWFLSA-N -1 3 383.872 3.834 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)cc1Cl ZINC000513157232 844736838 /nfs/dbraw/zinc/73/68/38/844736838.db2.gz YULFVFBVHGRHAB-UHFFFAOYSA-N -1 3 390.908 3.932 20 0 GHADHM CCOC(=O)c1nnc([N-]C(=O)c2cc3c(s2)-c2ccccc2OC3)s1 ZINC000610895563 844762734 /nfs/dbraw/zinc/76/27/34/844762734.db2.gz ZLHODHHJJIEBMN-UHFFFAOYSA-N -1 3 387.442 3.588 20 0 GHADHM CCCCOc1ccc([C@H](C)NC(=O)NN=c2nc(C)cc(C)[n-]2)cc1OC ZINC000047159698 845082626 /nfs/dbraw/zinc/08/26/26/845082626.db2.gz UJDZHQRERGMRDF-HNNXBMFYSA-N -1 3 387.484 3.668 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCc4ccc(F)cc4C3)cc2)cc(=O)[n-]1 ZINC000433623640 845122415 /nfs/dbraw/zinc/12/24/15/845122415.db2.gz VJXBFSJKRCDHOE-UHFFFAOYSA-N -1 3 378.407 3.887 20 0 GHADHM CC(C)(CNC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC001143552838 845187199 /nfs/dbraw/zinc/18/71/99/845187199.db2.gz FLWCTAQQGCZPAI-UHFFFAOYSA-N -1 3 381.350 3.847 20 0 GHADHM COc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)[n-]1 ZINC000179365966 861549459 /nfs/dbraw/zinc/54/94/59/861549459.db2.gz BOMDTLPSXORTMJ-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM COc1nc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)n[n-]1 ZINC000179365966 861549469 /nfs/dbraw/zinc/54/94/69/861549469.db2.gz BOMDTLPSXORTMJ-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM COc1n[n-]c(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)n1 ZINC000179365966 861549478 /nfs/dbraw/zinc/54/94/78/861549478.db2.gz BOMDTLPSXORTMJ-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000509780908 845391136 /nfs/dbraw/zinc/39/11/36/845391136.db2.gz FITCJHOSTVROHC-OAHLLOKOSA-N -1 3 386.926 3.551 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)c1ccncc1 ZINC000684658836 845457632 /nfs/dbraw/zinc/45/76/32/845457632.db2.gz CGNBDGYSIUVOBH-SNVBAGLBSA-N -1 3 389.702 3.580 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277261033 845464043 /nfs/dbraw/zinc/46/40/43/845464043.db2.gz OKXAMBZBYWIKAX-UHFFFAOYSA-N -1 3 376.403 3.561 20 0 GHADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000429871909 845609623 /nfs/dbraw/zinc/60/96/23/845609623.db2.gz VEIZHMNWDGLCIP-MRVPVSSYSA-N -1 3 395.731 3.907 20 0 GHADHM Cc1cc(CCC(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1Br ZINC000433958445 845668462 /nfs/dbraw/zinc/66/84/62/845668462.db2.gz HERSUBNCLGXKQB-UHFFFAOYSA-N -1 3 375.226 3.707 20 0 GHADHM CCc1noc(C)c1CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657283669 845669920 /nfs/dbraw/zinc/66/99/20/845669920.db2.gz FXNTZUWBRWXQPI-UHFFFAOYSA-N -1 3 381.461 3.731 20 0 GHADHM O=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065820710 845784223 /nfs/dbraw/zinc/78/42/23/845784223.db2.gz XHBDTKKTXYBOSJ-UHFFFAOYSA-N -1 3 397.862 3.857 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1 ZINC000472103738 845888652 /nfs/dbraw/zinc/88/86/52/845888652.db2.gz ITLATGSEYJJWAP-UHFFFAOYSA-N -1 3 390.436 3.543 20 0 GHADHM CCS(=O)(=O)c1c(Cl)cccc1CNCCCCCCCC(=O)[O-] ZINC000277395235 845962510 /nfs/dbraw/zinc/96/25/10/845962510.db2.gz RNUBUFOLHOJNDI-UHFFFAOYSA-N -1 3 375.918 3.648 20 0 GHADHM CCc1nc(CC[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)sc1C ZINC000472122542 845990789 /nfs/dbraw/zinc/99/07/89/845990789.db2.gz PXWZNQQLRIYEBR-UHFFFAOYSA-N -1 3 382.482 3.729 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000731456787 861652947 /nfs/dbraw/zinc/65/29/47/861652947.db2.gz GSJJDXDOSKBMSJ-LBPRGKRZSA-N -1 3 379.243 3.686 20 0 GHADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000472169738 846395076 /nfs/dbraw/zinc/39/50/76/846395076.db2.gz 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Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c(C)c1C ZINC000109438831 846776948 /nfs/dbraw/zinc/77/69/48/846776948.db2.gz CNJVFBTZHLKSLH-UHFFFAOYSA-N -1 3 395.546 3.574 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2csc(Br)c2)cc1 ZINC000731607110 861738154 /nfs/dbraw/zinc/73/81/54/861738154.db2.gz BBFOIVWJQMIALO-UHFFFAOYSA-N -1 3 390.205 3.611 20 0 GHADHM C=CC(=O)Nc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000051629437 846974290 /nfs/dbraw/zinc/97/42/90/846974290.db2.gz DHUUMSAHDXFFJY-NSHDSACASA-N -1 3 397.456 3.644 20 0 GHADHM COc1cc(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccc1O ZINC000604084807 861740587 /nfs/dbraw/zinc/74/05/87/861740587.db2.gz YWZZWZNIDIGYIA-UHFFFAOYSA-N -1 3 377.440 3.670 20 0 GHADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000731615817 861758404 /nfs/dbraw/zinc/75/84/04/861758404.db2.gz MBPDJHVNEFACQH-INIZCTEOSA-N -1 3 379.334 3.640 20 0 GHADHM O=C(NC1CCCCC1)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000179761909 861759401 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384.386 3.800 20 0 GHADHM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000908859922 850434583 /nfs/dbraw/zinc/43/45/83/850434583.db2.gz WBKNFNKNMAGRBI-RTWAWAEBSA-N -1 3 397.519 3.845 20 0 GHADHM CCc1ccc(-c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C(C)C)c3)n2)cc1 ZINC000505036419 850550979 /nfs/dbraw/zinc/55/09/79/850550979.db2.gz QPBCCHSZYDCDNE-UHFFFAOYSA-N -1 3 389.452 3.792 20 0 GHADHM COC(=O)c1ccc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)[n-]1 ZINC000426565676 850739379 /nfs/dbraw/zinc/73/93/79/850739379.db2.gz OXPZDXQJBIXMLQ-UHFFFAOYSA-N -1 3 392.400 3.518 20 0 GHADHM C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909825947 850793806 /nfs/dbraw/zinc/79/38/06/850793806.db2.gz YLEAYCVJFRGQIX-PGRDOPGGSA-N -1 3 394.515 3.734 20 0 GHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000435722593 850807409 /nfs/dbraw/zinc/80/74/09/850807409.db2.gz NQLQVZMKMGXZIC-UHFFFAOYSA-N -1 3 379.478 3.528 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Br)c1F 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397.450 3.757 20 0 GHADHM C[C@H]1[C@H](c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)C1(F)F ZINC000569967757 851119178 /nfs/dbraw/zinc/11/91/78/851119178.db2.gz AQWNYYSYKNAQBT-IMTBSYHQSA-N -1 3 382.168 3.653 20 0 GHADHM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC1CCCC1 ZINC000515527285 851133022 /nfs/dbraw/zinc/13/30/22/851133022.db2.gz SVVOSUKJZIDNNA-UHFFFAOYSA-N -1 3 397.443 3.773 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(Cl)c1 ZINC000436158875 851272367 /nfs/dbraw/zinc/27/23/67/851272367.db2.gz DKZRYEMICBCXLY-UHFFFAOYSA-N -1 3 383.853 3.699 20 0 GHADHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3OC3CC3)[n-]c(=O)c12 ZINC000600521863 862226429 /nfs/dbraw/zinc/22/64/29/862226429.db2.gz WNFWDBBTZNZHLI-UHFFFAOYSA-N -1 3 397.456 3.659 20 0 GHADHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000110590161 851402200 /nfs/dbraw/zinc/40/22/00/851402200.db2.gz VMQAQIQBBDRYGQ-UHFFFAOYSA-N -1 3 395.305 3.571 20 0 GHADHM O=C(COC(=O)CCCSc1ccc(Cl)cc1)[N-]C(=O)c1cccs1 ZINC000007043522 851407411 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3.817 20 0 GHADHM C[C@H](CC(=O)[O-])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000911293567 851670654 /nfs/dbraw/zinc/67/06/54/851670654.db2.gz SIZVRTXMFQIGJX-CYBMUJFWSA-N -1 3 387.307 3.529 20 0 GHADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488644391 851671911 /nfs/dbraw/zinc/67/19/11/851671911.db2.gz LHTKIMSMFRLTTH-CQSZACIVSA-N -1 3 389.370 3.873 20 0 GHADHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC(F)F ZINC000101579648 851684754 /nfs/dbraw/zinc/68/47/54/851684754.db2.gz MRKXXDUSHGZYJV-UHFFFAOYSA-N -1 3 397.852 3.533 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488674068 851699736 /nfs/dbraw/zinc/69/97/36/851699736.db2.gz IGAWUZNTMPHXOZ-KRWDZBQOSA-N -1 3 378.266 3.937 20 0 GHADHM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000911385214 851706255 /nfs/dbraw/zinc/70/62/55/851706255.db2.gz PTVUDJFTVSPLED-JTDSTZFVSA-N -1 3 398.528 3.645 20 0 GHADHM CC(C)C1CCC(N2CCN(C(=O)CCc3ccccc3C(=O)[O-])CC2)CC1 ZINC000911499982 851761742 /nfs/dbraw/zinc/76/17/42/851761742.db2.gz HTAZXLFAAJLENW-UHFFFAOYSA-N -1 3 386.536 3.676 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000911545205 851780207 /nfs/dbraw/zinc/78/02/07/851780207.db2.gz HCNCGZPMVRNPLU-VCBZYWHSSA-N -1 3 386.517 3.673 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(NCc3ccsc3)cc2)n1 ZINC000911807610 851903801 /nfs/dbraw/zinc/90/38/01/851903801.db2.gz BRDRMRMIKXLTKC-UHFFFAOYSA-N -1 3 382.489 3.829 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC=C(C)C1 ZINC000437983591 851920023 /nfs/dbraw/zinc/92/00/23/851920023.db2.gz CJWKBUFZWJVUQR-UHFFFAOYSA-N -1 3 388.464 3.727 20 0 GHADHM CC[C@@H](c1nnc([N-]C(=O)c2csc(NC3CC3)n2)s1)c1ccccc1 ZINC000425941104 851955965 /nfs/dbraw/zinc/95/59/65/851955965.db2.gz CSBMMHYAVSSFDF-CYBMUJFWSA-N -1 3 385.518 3.785 20 0 GHADHM CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc(OC)cc2[O-])cn1 ZINC000436495861 851970542 /nfs/dbraw/zinc/97/05/42/851970542.db2.gz YNZZKKYSUVMANA-UHFFFAOYSA-N -1 3 394.427 3.917 20 0 GHADHM Cc1cnc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)s1 ZINC000436551198 852039564 /nfs/dbraw/zinc/03/95/64/852039564.db2.gz XALQZPNKCQJZAV-UHFFFAOYSA-N -1 3 395.484 3.912 20 0 GHADHM CC1(C)CCC[C@@H]1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436557868 852045225 /nfs/dbraw/zinc/04/52/25/852045225.db2.gz SUIJSUOBYSGMQA-PMACEKPBSA-N -1 3 380.488 3.948 20 0 GHADHM CCc1ccc(CCC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC000515999616 852055521 /nfs/dbraw/zinc/05/55/21/852055521.db2.gz HMEDJBWMTXMWBM-UHFFFAOYSA-N -1 3 390.505 3.591 20 0 GHADHM O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436574026 852075744 /nfs/dbraw/zinc/07/57/44/852075744.db2.gz KVJHDZPYJZGQME-UHFFFAOYSA-N -1 3 399.450 3.849 20 0 GHADHM O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1c([O-])cccc1O ZINC000438175784 852093097 /nfs/dbraw/zinc/09/30/97/852093097.db2.gz JMONBMSDSQFECK-XYPYZODXSA-N -1 3 380.213 3.675 20 0 GHADHM Cn1cnnc1-c1cncc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436603582 852103489 /nfs/dbraw/zinc/10/34/89/852103489.db2.gz MBAGGVOPGFUGLW-UHFFFAOYSA-N -1 3 399.454 3.620 20 0 GHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(Oc4cccnc4)nc3)c([O-])c2O1 ZINC000436610633 852110552 /nfs/dbraw/zinc/11/05/52/852110552.db2.gz XQSFQRQXLFBGLL-UHFFFAOYSA-N -1 3 377.400 3.940 20 0 GHADHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C(F)(F)F ZINC000436623826 852136862 /nfs/dbraw/zinc/13/68/62/852136862.db2.gz JERMRMVGYFKUEW-MRXNPFEDSA-N -1 3 392.377 3.963 20 0 GHADHM CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000436623725 852137126 /nfs/dbraw/zinc/13/71/26/852137126.db2.gz HMIZBOCPBFIBPH-NRFANRHFSA-N -1 3 394.515 3.869 20 0 GHADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000436663493 852160423 /nfs/dbraw/zinc/16/04/23/852160423.db2.gz HEIRINIOTACAAA-GOSISDBHSA-N -1 3 381.407 3.994 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436665172 852163308 /nfs/dbraw/zinc/16/33/08/852163308.db2.gz LXSBGIPRDROHLF-FQEVSTJZSA-N -1 3 396.487 3.583 20 0 GHADHM CN(C)C(=O)CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436671088 852168960 /nfs/dbraw/zinc/16/89/60/852168960.db2.gz JDYVGKXIAIIIEE-UHFFFAOYSA-N -1 3 394.515 3.508 20 0 GHADHM CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc([O-])c(F)c3)n2)cc1 ZINC000132920224 862328149 /nfs/dbraw/zinc/32/81/49/862328149.db2.gz JKOSKOSNGRBGOX-UHFFFAOYSA-N -1 3 383.423 3.954 20 0 GHADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)nnn1Cc1ccccc1F ZINC000436711931 852233128 /nfs/dbraw/zinc/23/31/28/852233128.db2.gz LUPLSPQFVSYESW-UHFFFAOYSA-N -1 3 380.423 3.611 20 0 GHADHM Cc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1ccc(F)cc1 ZINC000436721245 852247500 /nfs/dbraw/zinc/24/75/00/852247500.db2.gz IDDPMHXPHFPGBK-UHFFFAOYSA-N -1 3 380.301 3.692 20 0 GHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506206837 852271491 /nfs/dbraw/zinc/27/14/91/852271491.db2.gz NXNQWXCTJOMTBF-UHFFFAOYSA-N -1 3 383.383 3.548 20 0 GHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436733204 852274994 /nfs/dbraw/zinc/27/49/94/852274994.db2.gz UGGAUIYWMCAKDN-CQSZACIVSA-N -1 3 378.394 3.930 20 0 GHADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])ccc1NC(=O)c1cccnc1 ZINC000436759417 852280592 /nfs/dbraw/zinc/28/05/92/852280592.db2.gz BBJQXWWYTALKJN-UHFFFAOYSA-N -1 3 391.427 3.917 20 0 GHADHM CCCCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436748596 852290478 /nfs/dbraw/zinc/29/04/78/852290478.db2.gz PPBWWYQITKYPSN-UHFFFAOYSA-N -1 3 397.475 3.561 20 0 GHADHM CC(C)COc1ccc(C2(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)CCC2)cc1 ZINC000473850185 852307368 /nfs/dbraw/zinc/30/73/68/852307368.db2.gz NCJOTBZCSPHFAF-IBGZPJMESA-N -1 3 383.492 3.778 20 0 GHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cn(-c3ccccc3)nc2C)cc1 ZINC000426725790 852310683 /nfs/dbraw/zinc/31/06/83/852310683.db2.gz DZCSYCFVKYEOSM-OAQYLSRUSA-N -1 3 379.460 3.885 20 0 GHADHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cc(C(F)(F)F)ccc1F ZINC000426729858 852322688 /nfs/dbraw/zinc/32/26/88/852322688.db2.gz HKJCQZNRJHELMV-QGZVFWFLSA-N -1 3 396.384 3.840 20 0 GHADHM CCN(Cc1cccc(Br)c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506925744 852343584 /nfs/dbraw/zinc/34/35/84/852343584.db2.gz GXKMYAMXZNVTBP-UHFFFAOYSA-N -1 3 385.261 3.953 20 0 GHADHM CC(C)(C)CC[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC000426743252 852344543 /nfs/dbraw/zinc/34/45/43/852344543.db2.gz NLUQDHOKGXRAQR-OAHLLOKOSA-N -1 3 385.295 3.943 20 0 GHADHM CCc1ccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c([O-])c1 ZINC000436817602 852359040 /nfs/dbraw/zinc/35/90/40/852359040.db2.gz RZBBKJZKABTMMB-UHFFFAOYSA-N -1 3 387.549 3.667 20 0 GHADHM O=C([O-])[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)c(F)c1 ZINC000426753553 852360420 /nfs/dbraw/zinc/36/04/20/852360420.db2.gz IZWNDDJYKLAFOE-QFBILLFUSA-N -1 3 393.842 3.952 20 0 GHADHM CC(C)(C)CC[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)C(=O)[O-] ZINC000426755350 852363773 /nfs/dbraw/zinc/36/37/73/852363773.db2.gz YNYPAALFANKQOU-ZDUSSCGKSA-N -1 3 385.295 3.943 20 0 GHADHM CCc1ccc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000436822138 852389779 /nfs/dbraw/zinc/38/97/79/852389779.db2.gz RWWACWOHAJPOFO-MRXNPFEDSA-N -1 3 395.503 3.702 20 0 GHADHM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436838435 852404022 /nfs/dbraw/zinc/40/40/22/852404022.db2.gz QWBNBDZQNWLDGA-QWHCGFSZSA-N -1 3 395.484 3.899 20 0 GHADHM O=C(Nc1ccnc(-c2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436849568 852415913 /nfs/dbraw/zinc/41/59/13/852415913.db2.gz SYNABTLZFJSMMD-HXUWFJFHSA-N -1 3 387.439 3.698 20 0 GHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000436905686 852471412 /nfs/dbraw/zinc/47/14/12/852471412.db2.gz UCYNHCDJWSIDRS-SCLBCKFNSA-N -1 3 395.377 3.960 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1sccc1Br ZINC000436912530 852481033 /nfs/dbraw/zinc/48/10/33/852481033.db2.gz DFJYMVZRMVQNHH-UHFFFAOYSA-N -1 3 399.657 3.907 20 0 GHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000436923188 852504277 /nfs/dbraw/zinc/50/42/77/852504277.db2.gz SCVYFFKGCSVWNH-NRFANRHFSA-N -1 3 388.467 3.672 20 0 GHADHM O=C(NCc1ccc2sccc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436925087 852506162 /nfs/dbraw/zinc/50/61/62/852506162.db2.gz FJRUWJGHKRWFAO-QGZVFWFLSA-N -1 3 380.469 3.528 20 0 GHADHM COc1cccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c1[O-] ZINC000436929621 852512998 /nfs/dbraw/zinc/51/29/98/852512998.db2.gz ZWZWVGWNEGUAPQ-UHFFFAOYSA-N -1 3 378.384 3.544 20 0 GHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)cc1F ZINC000506264511 852524319 /nfs/dbraw/zinc/52/43/19/852524319.db2.gz PLLYVSOMCIQKJD-QGZVFWFLSA-N -1 3 395.475 3.941 20 0 GHADHM CCCCOc1cc(OCCC)ccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473852028 852527772 /nfs/dbraw/zinc/52/77/72/852527772.db2.gz AOAWTPDXSLYQDN-GOSISDBHSA-N -1 3 387.480 3.903 20 0 GHADHM CCC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436947142 852528909 /nfs/dbraw/zinc/52/89/09/852528909.db2.gz UAZMTTCEDKXYKW-LJQANCHMSA-N -1 3 380.488 3.697 20 0 GHADHM COc1ncc(Br)cc1Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000436946456 852529123 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387.499 3.987 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)c1ncc(-c2ccccc2)o1 ZINC000437220959 852890076 /nfs/dbraw/zinc/89/00/76/852890076.db2.gz RYUFPJMQGMLYLN-GFCCVEGCSA-N -1 3 385.470 3.991 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc(Cc2ccccc2)no1 ZINC000427247848 852900028 /nfs/dbraw/zinc/90/00/28/852900028.db2.gz CWJKLJFBJDWARD-OAHLLOKOSA-N -1 3 399.516 3.997 20 0 GHADHM Cc1ccc(-n2ncc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2C(C)C)cc1 ZINC000481860484 862416504 /nfs/dbraw/zinc/41/65/04/862416504.db2.gz CEJRIMXJOKBYNY-UHFFFAOYSA-N -1 3 393.491 3.988 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)[n-]n1 ZINC000180940776 862418147 /nfs/dbraw/zinc/41/81/47/862418147.db2.gz VXCHVPYPDFWHMD-UHFFFAOYSA-N -1 3 382.854 3.677 20 0 GHADHM CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)n[n-]1 ZINC000180940776 862418165 /nfs/dbraw/zinc/41/81/65/862418165.db2.gz VXCHVPYPDFWHMD-UHFFFAOYSA-N -1 3 382.854 3.677 20 0 GHADHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)C(F)F ZINC000913102515 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CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC000029878902 856074265 /nfs/dbraw/zinc/07/42/65/856074265.db2.gz RYGDLZUZUARTEL-UHFFFAOYSA-N -1 3 390.867 3.854 20 0 GHADHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2nc(C(C)(C)C)cs2)n[n-]1 ZINC000895110850 856105946 /nfs/dbraw/zinc/10/59/46/856105946.db2.gz ABRDBSSUZANJQR-LBPRGKRZSA-N -1 3 379.530 3.612 20 0 GHADHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2nc(C(C)(C)C)cs2)[n-]1 ZINC000895110850 856105965 /nfs/dbraw/zinc/10/59/65/856105965.db2.gz ABRDBSSUZANJQR-LBPRGKRZSA-N -1 3 379.530 3.612 20 0 GHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000030531546 856109891 /nfs/dbraw/zinc/10/98/91/856109891.db2.gz BWODXMDPNKTMEP-LJQANCHMSA-N -1 3 388.489 3.728 20 0 GHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cnn(Cc2ccccc2)c1 ZINC000485128750 856128240 /nfs/dbraw/zinc/12/82/40/856128240.db2.gz XSBRSDCKKCPMCC-UHFFFAOYSA-N -1 3 384.399 3.715 20 0 GHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cnn(Cc2ccccc2)c1 ZINC000485128750 856128255 /nfs/dbraw/zinc/12/82/55/856128255.db2.gz XSBRSDCKKCPMCC-UHFFFAOYSA-N -1 3 384.399 3.715 20 0 GHADHM CCOCCOc1ccccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485122306 856134604 /nfs/dbraw/zinc/13/46/04/856134604.db2.gz QWNOBQRJNNGYGA-UHFFFAOYSA-N -1 3 392.415 3.886 20 0 GHADHM CCOCCOc1ccccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485122306 856134609 /nfs/dbraw/zinc/13/46/09/856134609.db2.gz QWNOBQRJNNGYGA-UHFFFAOYSA-N -1 3 392.415 3.886 20 0 GHADHM CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000536462274 856141622 /nfs/dbraw/zinc/14/16/22/856141622.db2.gz CVAPSXGCOQLYKU-GFCCVEGCSA-N -1 3 397.493 3.834 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(C)c1F ZINC000181123585 862761386 /nfs/dbraw/zinc/76/13/86/862761386.db2.gz RVSBBJHCXWJWQZ-UHFFFAOYSA-N -1 3 394.468 3.928 20 0 GHADHM O=S(=O)([N-]Cc1ccccc1Cn1ccnc1)c1c(Cl)cccc1Cl ZINC000031559966 856174395 /nfs/dbraw/zinc/17/43/95/856174395.db2.gz DBIXJAWITHTTJL-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000573523634 856271229 /nfs/dbraw/zinc/27/12/29/856271229.db2.gz IBKMDXSBCVWODI-UHFFFAOYSA-N -1 3 383.761 3.961 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@H](C(=O)[O-])c1ccccc1F ZINC000905377761 856299349 /nfs/dbraw/zinc/29/93/49/856299349.db2.gz WKWBQINUUVZKDF-JXFKEZNVSA-N -1 3 389.467 3.587 20 0 GHADHM Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905377764 856299497 /nfs/dbraw/zinc/29/94/97/856299497.db2.gz WKWBQINUUVZKDF-OXJNMPFZSA-N -1 3 389.467 3.587 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccncc1 ZINC000671678625 856325799 /nfs/dbraw/zinc/32/57/99/856325799.db2.gz PZLGJQCLTUVQCQ-JTQLQIEISA-N -1 3 378.803 3.836 20 0 GHADHM O=S(=O)([N-]CC1(c2ccc(F)cc2Cl)CC1)c1cccnc1Cl ZINC000765756769 856371936 /nfs/dbraw/zinc/37/19/36/856371936.db2.gz UUZBFITYBYVGEU-UHFFFAOYSA-N -1 3 375.252 3.538 20 0 GHADHM COc1cc2[n-]cc(C(=O)N3CC[C@H](C(C)(C)C)C[C@H]3C)c(=O)c2c(OC)c1 ZINC000627301360 856381538 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C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4cccn4)c(Cl)c3)ccc2O1 ZINC000592006927 856535037 /nfs/dbraw/zinc/53/50/37/856535037.db2.gz MODVTAGCLURFOP-GFCCVEGCSA-N -1 3 389.864 3.650 20 0 GHADHM Cc1cc(C)[n-]c(=NNC(=O)NCc2cccc(COCc3ccccc3)c2)n1 ZINC000046151183 856582850 /nfs/dbraw/zinc/58/28/50/856582850.db2.gz PZVLLYGAILFFDC-UHFFFAOYSA-N -1 3 391.475 3.637 20 0 GHADHM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000472318413 856619498 /nfs/dbraw/zinc/61/94/98/856619498.db2.gz SDUZQOFEUXBHBJ-UHFFFAOYSA-N -1 3 390.439 3.742 20 0 GHADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(OC)c2o1 ZINC000129016378 856625084 /nfs/dbraw/zinc/62/50/84/856625084.db2.gz DAPKVLBMVIGDOY-AWEZNQCLSA-N -1 3 378.384 3.801 20 0 GHADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cncc(Cl)c1 ZINC000507906390 856677852 /nfs/dbraw/zinc/67/78/52/856677852.db2.gz BHHYLMPHEKPRFO-ZDUSSCGKSA-N -1 3 382.766 3.846 20 0 GHADHM CC[C@@H](C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000110961144 856718529 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CC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000485666317 856901535 /nfs/dbraw/zinc/90/15/35/856901535.db2.gz FHRLYBTXXFMJSG-OAHLLOKOSA-N -1 3 396.260 3.511 20 0 GHADHM CCCCc1nc(NC(=O)c2cnc(C(C)(C)C)s2)c(C(=O)OCC)[n-]1 ZINC000485703404 856953965 /nfs/dbraw/zinc/95/39/65/856953965.db2.gz STIJFZJVYOQLNC-UHFFFAOYSA-N -1 3 378.498 3.935 20 0 GHADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000733315330 862854535 /nfs/dbraw/zinc/85/45/35/862854535.db2.gz XUKSJILTCIEMSQ-UHFFFAOYSA-N -1 3 384.723 3.968 20 0 GHADHM Cc1ccccc1Oc1ccccc1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000592876819 857120846 /nfs/dbraw/zinc/12/08/46/857120846.db2.gz WQVTUHJDEBFODP-UHFFFAOYSA-N -1 3 390.439 3.539 20 0 GHADHM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000112567664 857151162 /nfs/dbraw/zinc/15/11/62/857151162.db2.gz CGELBAZNIMOJTP-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429247429 857194965 /nfs/dbraw/zinc/19/49/65/857194965.db2.gz JNEKXBVSUDDMMV-CQSZACIVSA-N -1 3 392.434 3.931 20 0 GHADHM CC(C)n1cc([C@H](C)NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1 ZINC000906670700 857220554 /nfs/dbraw/zinc/22/05/54/857220554.db2.gz UWSYAARMKHEKMW-NSHDSACASA-N -1 3 379.486 3.759 20 0 GHADHM O=S(=O)([N-]C/C=C/c1cccnc1)c1ccc(Cl)cc1C(F)(F)F ZINC001212449979 857237296 /nfs/dbraw/zinc/23/72/96/857237296.db2.gz GIQBCRRDWOZPLH-DUXPYHPUSA-N -1 3 376.787 3.746 20 0 GHADHM Cc1ccccc1C[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482287886 862893544 /nfs/dbraw/zinc/89/35/44/862893544.db2.gz JDYBWMBXFPDECD-CYBMUJFWSA-N -1 3 377.282 3.894 20 0 GHADHM CN(Cc1cc(Br)c([O-])c(Br)c1)CC1=CCCOC1 ZINC000668568651 857252373 /nfs/dbraw/zinc/25/23/73/857252373.db2.gz HTSBIWDPUIOOGZ-UHFFFAOYSA-N -1 3 391.103 3.696 20 0 GHADHM O=S(=O)([N-]C[C@@H](CO)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000672428344 857326262 /nfs/dbraw/zinc/32/62/62/857326262.db2.gz MVVXHBIFFKUEIF-NSHDSACASA-N -1 3 394.707 3.701 20 0 GHADHM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486094917 857422444 /nfs/dbraw/zinc/42/24/44/857422444.db2.gz LCYLYLWCRZXKMO-LRDDRELGSA-N -1 3 383.370 3.905 20 0 GHADHM Cc1cccc(OC[C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000482301015 862929102 /nfs/dbraw/zinc/92/91/02/862929102.db2.gz UNLYRLZKJYGWJN-ZDUSSCGKSA-N -1 3 393.281 3.730 20 0 GHADHM C[C@H](CN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1nccs1 ZINC000907349017 857613277 /nfs/dbraw/zinc/61/32/77/857613277.db2.gz QZEQRHQVSFICIJ-SNVBAGLBSA-N -1 3 382.511 3.822 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CCc2ccccc2C1 ZINC000675821816 857625752 /nfs/dbraw/zinc/62/57/52/857625752.db2.gz SBACCVAYYZSZFC-ZDUSSCGKSA-N -1 3 389.293 3.759 20 0 GHADHM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000907432111 857640645 /nfs/dbraw/zinc/64/06/45/857640645.db2.gz CQJZJCITUGMXRD-XYPYZODXSA-N -1 3 394.718 3.529 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CC=C(c3cccc4ccccc43)CC2)c(=O)[n-]1 ZINC000063691377 857642596 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CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1SC)CCO2 ZINC000672823163 857732926 /nfs/dbraw/zinc/73/29/26/857732926.db2.gz UYXWJBMVGVLWPA-OAHLLOKOSA-N -1 3 379.503 3.609 20 0 GHADHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1SC)CCO2 ZINC000672823162 857733175 /nfs/dbraw/zinc/73/31/75/857733175.db2.gz UYXWJBMVGVLWPA-HNNXBMFYSA-N -1 3 379.503 3.609 20 0 GHADHM CN(CCOc1ccccc1Cl)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000521220173 857757248 /nfs/dbraw/zinc/75/72/48/857757248.db2.gz GYZLJYISEYGCBA-UHFFFAOYSA-N -1 3 392.789 3.611 20 0 GHADHM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000594033991 857847926 /nfs/dbraw/zinc/84/79/26/857847926.db2.gz HMEHOSLCQOYHGU-UHFFFAOYSA-N -1 3 381.306 3.717 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1noc(-c2cccc(F)c2)n1 ZINC000676391779 857861839 /nfs/dbraw/zinc/86/18/39/857861839.db2.gz JLNAAAJYNJIRDJ-UHFFFAOYSA-N -1 3 378.157 3.596 20 0 GHADHM CCCN(C(=O)c1ccc(C(=O)[O-])c(C)n1)C1CCN(Cc2ccccc2)CC1 ZINC000908092287 857913512 /nfs/dbraw/zinc/91/35/12/857913512.db2.gz 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O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cnccc1C(F)(F)F ZINC000442748595 858108806 /nfs/dbraw/zinc/10/88/06/858108806.db2.gz CFZTWSUMVBIYAH-UHFFFAOYSA-N -1 3 386.395 3.510 20 0 GHADHM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1cnccc1C(F)(F)F ZINC000442752071 858110439 /nfs/dbraw/zinc/11/04/39/858110439.db2.gz CXDCWWKNVZLDFX-QGZVFWFLSA-N -1 3 393.390 3.563 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)[n-]n1 ZINC000181752040 862998413 /nfs/dbraw/zinc/99/84/13/862998413.db2.gz BFXZLVBWRZHFMC-QWHCGFSZSA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n[n-]1 ZINC000181752040 862998416 /nfs/dbraw/zinc/99/84/16/862998416.db2.gz BFXZLVBWRZHFMC-QWHCGFSZSA-N -1 3 396.472 3.885 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000594823182 858286360 /nfs/dbraw/zinc/28/63/60/858286360.db2.gz SADRECCGCLEWQD-INIZCTEOSA-N -1 3 397.443 3.986 20 0 GHADHM CC1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000521744820 858295249 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397.443 3.817 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000443399104 858641022 /nfs/dbraw/zinc/64/10/22/858641022.db2.gz QFWKWWJKKCLVRG-LLVKDONJSA-N -1 3 380.366 3.903 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](CCF)C3)nc(=O)c2c1C ZINC000595756747 858676436 /nfs/dbraw/zinc/67/64/36/858676436.db2.gz WHEOXODPVMTFOB-STQMWFEESA-N -1 3 395.500 3.602 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)n[n-]2)o1 ZINC000160372478 858851677 /nfs/dbraw/zinc/85/16/77/858851677.db2.gz ODRUNLUGNRKIOJ-UHFFFAOYSA-N -1 3 383.795 3.863 20 0 GHADHM O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)c1cc([O-])ccc1Cl ZINC000550524915 859004454 /nfs/dbraw/zinc/00/44/54/859004454.db2.gz SJUWCXMXLDKSNH-UHFFFAOYSA-N -1 3 392.242 3.807 20 0 GHADHM COc1ccccc1-c1nc([N-]C(=O)c2nc(C)oc2-c2ccccc2)n[nH]1 ZINC000185218662 859058535 /nfs/dbraw/zinc/05/85/35/859058535.db2.gz AHTSELKBQHXNAQ-UHFFFAOYSA-N -1 3 375.388 3.696 20 0 GHADHM CC(C)(C)OCC[C@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000901758309 859073661 /nfs/dbraw/zinc/07/36/61/859073661.db2.gz IDDIPESKJQVYSL-ZDUSSCGKSA-N -1 3 378.694 3.851 20 0 GHADHM O=C([O-])[C@@H](CNCc1csc(COc2ccc(Cl)cc2)n1)C1CCC1 ZINC000665360945 859116021 /nfs/dbraw/zinc/11/60/21/859116021.db2.gz GHOAOPLYEMRCGN-INIZCTEOSA-N -1 3 380.897 3.966 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccc(C)cc3[O-])cc2)oc1C ZINC000116773988 859152419 /nfs/dbraw/zinc/15/24/19/859152419.db2.gz RERRAZBJTCISHC-UHFFFAOYSA-N -1 3 393.443 3.731 20 0 GHADHM Cc1cnccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000162333289 859196370 /nfs/dbraw/zinc/19/63/70/859196370.db2.gz HIIQGJWTTRXQEJ-UHFFFAOYSA-N -1 3 395.200 3.972 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](CCO)C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000522368715 859213669 /nfs/dbraw/zinc/21/36/69/859213669.db2.gz YXEVVTRKZMJICX-GOSISDBHSA-N -1 3 384.480 3.610 20 0 GHADHM COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])c(OC)c1OC ZINC000543312403 859232873 /nfs/dbraw/zinc/23/28/73/859232873.db2.gz FCTHRCLXJMPYFM-UHFFFAOYSA-N -1 3 393.823 3.673 20 0 GHADHM CC(C)c1ccc(NC(=S)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000060435041 859258594 /nfs/dbraw/zinc/25/85/94/859258594.db2.gz IPJBKYJGGYOFOP-UHFFFAOYSA-N -1 3 383.517 3.670 20 0 GHADHM CC(C)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1F ZINC000483273623 859261710 /nfs/dbraw/zinc/26/17/10/859261710.db2.gz SZDRMCMBPPUWKK-GFCCVEGCSA-N -1 3 393.772 3.813 20 0 GHADHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429400926 859271335 /nfs/dbraw/zinc/27/13/35/859271335.db2.gz ASWHRFQMTYZMMC-KBPBESRZSA-N -1 3 396.491 3.549 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cc[nH]c1C1CC1 ZINC000550568621 859292326 /nfs/dbraw/zinc/29/23/26/859292326.db2.gz JBTMKIKRAXNFHU-UHFFFAOYSA-N -1 3 389.228 3.858 20 0 GHADHM O=C(CC(F)(F)F)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000509397808 859312529 /nfs/dbraw/zinc/31/25/29/859312529.db2.gz WZOLUCMZFKFEED-UHFFFAOYSA-N -1 3 376.331 3.517 20 0 GHADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000923466852 859333323 /nfs/dbraw/zinc/33/33/23/859333323.db2.gz AUOJWHVCZDBSBR-CTNGQTDRSA-N -1 3 386.517 3.531 20 0 GHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Sc2ccccn2)cc1 ZINC000509432302 859424111 /nfs/dbraw/zinc/42/41/11/859424111.db2.gz MOOLRYUFFNUETL-UHFFFAOYSA-N -1 3 399.497 3.857 20 0 GHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483541335 859438429 /nfs/dbraw/zinc/43/84/29/859438429.db2.gz GEVFXNXJFIABGI-KBPBESRZSA-N -1 3 381.402 3.691 20 0 GHADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000764415966 859445065 /nfs/dbraw/zinc/44/50/65/859445065.db2.gz AKOFTLWTHUWRBH-LLVKDONJSA-N -1 3 398.278 3.739 20 0 GHADHM C[C@H](N(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)(C)C ZINC000483555452 859458011 /nfs/dbraw/zinc/45/80/11/859458011.db2.gz HAPNIBYISAZCNG-LBPRGKRZSA-N -1 3 383.418 3.970 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000483556202 859459100 /nfs/dbraw/zinc/45/91/00/859459100.db2.gz DOFPUSDGHCYSMD-UHFFFAOYSA-N -1 3 399.392 3.660 20 0 GHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1N1C(=O)CCNC1=O ZINC000504255275 859469584 /nfs/dbraw/zinc/46/95/84/859469584.db2.gz RXAXHKXMPPBOSX-UHFFFAOYSA-N -1 3 389.411 3.552 20 0 GHADHM Cc1cc2cc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc3ncccc3[O-])oc2cc1C ZINC000673504762 859612534 /nfs/dbraw/zinc/61/25/34/859612534.db2.gz RILLMJZLBMCKHO-KBPBESRZSA-N -1 3 381.432 3.543 20 0 GHADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1(c2ccccc2F)CCCC1 ZINC000673504486 859613832 /nfs/dbraw/zinc/61/38/32/859613832.db2.gz PLUSUHBCNNYHRJ-CABCVRRESA-N -1 3 399.466 3.518 20 0 GHADHM Cc1cc2cc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3ncccc3[O-])oc2cc1C ZINC000673504769 859613854 /nfs/dbraw/zinc/61/38/54/859613854.db2.gz RILLMJZLBMCKHO-ZIAGYGMSSA-N -1 3 381.432 3.543 20 0 GHADHM CCC(CC)(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000673507244 859633630 /nfs/dbraw/zinc/63/36/30/859633630.db2.gz JXOYLLJNQGOLER-HOTGVXAUSA-N -1 3 383.492 3.625 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 ZINC000597554474 859633747 /nfs/dbraw/zinc/63/37/47/859633747.db2.gz FRMWTTOQKJMLSB-UHFFFAOYSA-N -1 3 389.411 3.880 20 0 GHADHM O=S(=O)(Cc1nc(Cl)ccc1Cl)c1nc(CCC2CCCC2)n[n-]1 ZINC000764901092 859667792 /nfs/dbraw/zinc/66/77/92/859667792.db2.gz RXJGVFAXVBAFBC-UHFFFAOYSA-N -1 3 389.308 3.603 20 0 GHADHM O=S(=O)(Cc1nc(Cl)ccc1Cl)c1nnc(CCC2CCCC2)[n-]1 ZINC000764901092 859667798 /nfs/dbraw/zinc/66/77/98/859667798.db2.gz RXJGVFAXVBAFBC-UHFFFAOYSA-N -1 3 389.308 3.603 20 0 GHADHM O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1cc(F)cc(F)c1 ZINC000466475961 859676691 /nfs/dbraw/zinc/67/66/91/859676691.db2.gz WQYUZXJVRYZFOJ-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM CN(Cc1ccccc1N1CCCC1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484095077 859801220 /nfs/dbraw/zinc/80/12/20/859801220.db2.gz NEJIDHDOQDKUNL-UHFFFAOYSA-N -1 3 397.425 3.679 20 0 GHADHM CSCc1c2ccccc2oc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602196688 859857699 /nfs/dbraw/zinc/85/76/99/859857699.db2.gz ZSXNYJKUJVRVNR-UHFFFAOYSA-N -1 3 383.473 3.989 20 0 GHADHM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000165268312 859975439 /nfs/dbraw/zinc/97/54/39/859975439.db2.gz NTEKIJBZVWBSOC-UHFFFAOYSA-N -1 3 391.674 3.615 20 0 GHADHM Cc1cc(C)cc(C[C@H](NCc2ncc(Br)cc2Cl)C(=O)[O-])c1 ZINC000903999282 860010048 /nfs/dbraw/zinc/01/00/48/860010048.db2.gz HUHUFIKLQJOHFR-HNNXBMFYSA-N -1 3 397.700 3.900 20 0 GHADHM Cc1ccc(Oc2cc(Br)ccc2CNCCOCC(=O)[O-])cc1 ZINC000904015045 860025020 /nfs/dbraw/zinc/02/50/20/860025020.db2.gz CPJZVSCRCOCISE-UHFFFAOYSA-N -1 3 394.265 3.741 20 0 GHADHM CC(C)CCC[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC000904035815 860053808 /nfs/dbraw/zinc/05/38/08/860053808.db2.gz HPQWMTZDRUMSIX-AWEZNQCLSA-N -1 3 393.240 3.799 20 0 GHADHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000727362844 860064946 /nfs/dbraw/zinc/06/49/46/860064946.db2.gz VEVHLLNECRNGFD-HJWRWDBZSA-N -1 3 396.310 3.949 20 0 GHADHM COC1([C@@H](NCc2cc(Cl)c(OC(C)C)cc2Cl)C(=O)[O-])CCC1 ZINC000904050655 860069404 /nfs/dbraw/zinc/06/94/04/860069404.db2.gz NJQFZUGCDDLGMM-HNNXBMFYSA-N -1 3 376.280 3.893 20 0 GHADHM CCCn1nccc1CN[C@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000904072398 860097540 /nfs/dbraw/zinc/09/75/40/860097540.db2.gz HCCQNYMAXJGSNH-MRXNPFEDSA-N -1 3 380.286 3.751 20 0 GHADHM CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525914200 860133013 /nfs/dbraw/zinc/13/30/13/860133013.db2.gz NQVCPZAMINOUSA-UHFFFAOYSA-N -1 3 380.469 3.978 20 0 GHADHM O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1ncccc1[O-] ZINC000097105542 860143569 /nfs/dbraw/zinc/14/35/69/860143569.db2.gz QCXYOUHMVXJJFL-UHFFFAOYSA-N -1 3 388.221 3.776 20 0 GHADHM Cc1ccc(-c2nc(NC(=O)c3cccnc3OCc3ccccc3F)n[n-]2)o1 ZINC000484586072 860148329 /nfs/dbraw/zinc/14/83/29/860148329.db2.gz IHYPMKRYDYPSNA-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM COc1cc(OC)cc(OCCCNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000526928115 860163268 /nfs/dbraw/zinc/16/32/68/860163268.db2.gz GJSLVPDPUMFUCJ-UHFFFAOYSA-N -1 3 381.428 3.762 20 0 GHADHM O=C1[N-]C(=O)C(=CNc2nnc(-c3cccc(Cl)c3)s2)c2ccccc21 ZINC000727721445 860201566 /nfs/dbraw/zinc/20/15/66/860201566.db2.gz SPUDYRYYJGAMJB-ZROIWOOFSA-N -1 3 382.832 3.582 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNCCSCc3ccccc3F)o2)CC1 ZINC000904204933 860233151 /nfs/dbraw/zinc/23/31/51/860233151.db2.gz MVYSKRPLSHWJCI-UHFFFAOYSA-N -1 3 392.496 3.743 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CNC[C@H](O)c3ccc4ccccc4c3)o2)CC1 ZINC000904215396 860234671 /nfs/dbraw/zinc/23/46/71/860234671.db2.gz IJNUWNMRUSHKTK-NRFANRHFSA-N -1 3 394.471 3.557 20 0 GHADHM CCO[C@H]1C[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCCCC2 ZINC000904219126 860240301 /nfs/dbraw/zinc/24/03/01/860240301.db2.gz UNHJWCUDMQPVLA-MOPGFXCFSA-N -1 3 390.524 3.798 20 0 GHADHM COc1cccc(Oc2ncccc2CN[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1 ZINC000904221125 860244635 /nfs/dbraw/zinc/24/46/35/860244635.db2.gz HUMGYGOZZLINDH-QZTJIDSGSA-N -1 3 383.448 3.551 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000602754595 860258776 /nfs/dbraw/zinc/25/87/76/860258776.db2.gz XUUGPTWKXXBPPO-VXGBXAGGSA-N -1 3 377.282 3.847 20 0 GHADHM O=C([O-])C1CCN(c2ccc(CN3CC[C@]4(C3)CCc3ccccc3O4)o2)CC1 ZINC000904241135 860278636 /nfs/dbraw/zinc/27/86/36/860278636.db2.gz PIWYEOLKXPXSHZ-QHCPKHFHSA-N -1 3 396.487 3.550 20 0 GHADHM COC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC(C)CC1 ZINC000474536405 860312473 /nfs/dbraw/zinc/31/24/73/860312473.db2.gz CWMSLTYACLPBDR-UHFFFAOYSA-N -1 3 385.302 3.549 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000474574581 860369997 /nfs/dbraw/zinc/36/99/97/860369997.db2.gz JMIPLWJZOFPZQZ-BLLLJJGKSA-N -1 3 387.332 3.963 20 0 GHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(-c4cccnc4)cs3)c[n-]c12 ZINC000155120167 860408290 /nfs/dbraw/zinc/40/82/90/860408290.db2.gz KVEFHEQMZAYFRJ-UHFFFAOYSA-N -1 3 380.404 3.746 20 0 GHADHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000904430686 860432036 /nfs/dbraw/zinc/43/20/36/860432036.db2.gz STNLHJZYRKOOOK-ZWKOTPCHSA-N -1 3 391.874 3.575 20 0 GHADHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1nc(C2CCCCC2)no1 ZINC000174066431 860444872 /nfs/dbraw/zinc/44/48/72/860444872.db2.gz LLAINHZFQHNYBO-CYBMUJFWSA-N -1 3 375.494 3.646 20 0 GHADHM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2ncc(Br)s2)c1 ZINC000598745963 860541519 /nfs/dbraw/zinc/54/15/19/860541519.db2.gz LJDZJYMJXUFVCA-UHFFFAOYSA-N -1 3 384.255 3.508 20 0 GHADHM COc1ccc(-c2csc(NC(=O)c3cc4c(cc3[O-])OCO4)n2)cc1F ZINC000436666736 860555392 /nfs/dbraw/zinc/55/53/92/860555392.db2.gz VTLZRFBJIPKDOE-UHFFFAOYSA-N -1 3 388.376 3.644 20 0 GHADHM CC(C)COC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccco1 ZINC000625029669 860747921 /nfs/dbraw/zinc/74/79/21/860747921.db2.gz UFKAMMMCMPTTKQ-HNNXBMFYSA-N -1 3 382.254 3.891 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(C3CCCCC3)no2)c(F)c1F ZINC000625046165 860774460 /nfs/dbraw/zinc/77/44/60/860774460.db2.gz KGUCSDWKXRXRJZ-NSHDSACASA-N -1 3 385.436 3.743 20 0 GHADHM COc1ccccc1-c1cc(=NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)[nH][n-]1 ZINC000603547090 860817983 /nfs/dbraw/zinc/81/79/83/860817983.db2.gz PGJJKRJNYHMXOK-LLVKDONJSA-N -1 3 389.814 3.706 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccc(F)c2)ccc1F ZINC000061180061 860941847 /nfs/dbraw/zinc/94/18/47/860941847.db2.gz NSZBWYLJKGWFTI-LBPRGKRZSA-N -1 3 383.416 3.570 20 0 GHADHM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364237 861073191 /nfs/dbraw/zinc/07/31/91/861073191.db2.gz HOUFRABLPROOJW-LLVKDONJSA-N -1 3 392.249 3.901 20 0 GHADHM CCN(C(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000730364298 861073449 /nfs/dbraw/zinc/07/34/49/861073449.db2.gz JCPNIPVCXZIQLP-GFCCVEGCSA-N -1 3 392.249 3.753 20 0 GHADHM Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cccc(Br)c2[O-])c1 ZINC000730366962 861076950 /nfs/dbraw/zinc/07/69/50/861076950.db2.gz ZMEVFMFPSVIFKO-LBPRGKRZSA-N -1 3 392.249 3.956 20 0 GHADHM Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Br)cc3[O-])c2)nn1 ZINC000605502052 863080344 /nfs/dbraw/zinc/08/03/44/863080344.db2.gz LVBAPNSZZMTSHG-UHFFFAOYSA-N -1 3 399.248 3.671 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1OC ZINC000605492619 863113907 /nfs/dbraw/zinc/11/39/07/863113907.db2.gz PDWGEODDOCHEGU-NSHDSACASA-N -1 3 397.880 3.790 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)c(C)c1C ZINC000605496259 863116948 /nfs/dbraw/zinc/11/69/48/863116948.db2.gz RGTNHLVNJLJAFM-UHFFFAOYSA-N -1 3 389.452 3.746 20 0 GHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OCCOC)cc1C ZINC000605497074 863118059 /nfs/dbraw/zinc/11/80/59/863118059.db2.gz BXJIZQLTSBJFMJ-UHFFFAOYSA-N -1 3 377.506 3.946 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1csc(Nc2ccccn2)n1 ZINC000605521185 863132575 /nfs/dbraw/zinc/13/25/75/863132575.db2.gz KCGFOUYKKLYKHI-UHFFFAOYSA-N -1 3 397.851 3.973 20 0 GHADHM O=C(NCCCOc1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000482484249 863202918 /nfs/dbraw/zinc/20/29/18/863202918.db2.gz XXRDNOVOORWKKY-UHFFFAOYSA-N -1 3 397.244 3.562 20 0 GHADHM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909554113 863213878 /nfs/dbraw/zinc/21/38/78/863213878.db2.gz UUBWDONUXMNFLU-DYESRHJHSA-N -1 3 380.488 3.670 20 0 GHADHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000120627681 881643720 /nfs/dbraw/zinc/64/37/20/881643720.db2.gz SOYWAYVTLCNQDP-CVEARBPZSA-N -1 3 387.365 3.552 20 0 GHADHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000120627681 881643725 /nfs/dbraw/zinc/64/37/25/881643725.db2.gz SOYWAYVTLCNQDP-CVEARBPZSA-N -1 3 387.365 3.552 20 0 GHADHM CCc1cccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1[O-] ZINC000120625406 881643868 /nfs/dbraw/zinc/64/38/68/881643868.db2.gz DDFNMUCVIGWUPV-QGZVFWFLSA-N -1 3 377.387 3.770 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182677603 863327276 /nfs/dbraw/zinc/32/72/76/863327276.db2.gz ATSJFOJRWRFWIR-KRWDZBQOSA-N -1 3 398.356 3.833 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)s1 ZINC000606143942 863406246 /nfs/dbraw/zinc/40/62/46/863406246.db2.gz QXULXUQUJVWYGQ-UHFFFAOYSA-N -1 3 396.603 3.703 20 0 GHADHM C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000186151787 863461887 /nfs/dbraw/zinc/46/18/87/863461887.db2.gz MSQCARQKVXKXNE-ZETCQYMHSA-N -1 3 396.182 3.897 20 0 GHADHM C[C@@H]1CC[C@@H](NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000444123247 863491058 /nfs/dbraw/zinc/49/10/58/863491058.db2.gz BTIQPRLKVPZMLH-IUODEOHRSA-N -1 3 379.888 3.594 20 0 GHADHM CCN(CC)c1nc2sc(C(=O)NCc3ccc([O-])c(F)c3)cc2s1 ZINC000606536879 863695088 /nfs/dbraw/zinc/69/50/88/863695088.db2.gz VECCEJJASYXWHL-UHFFFAOYSA-N -1 3 379.482 3.979 20 0 GHADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3ccc(C)cc3)nc(=O)c2c1C ZINC000030003359 863814742 /nfs/dbraw/zinc/81/47/42/863814742.db2.gz PDTFFTBWPJXDLF-OAHLLOKOSA-N -1 3 397.500 3.725 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@H](C)c3ccccn3)c2)cc1 ZINC000159151484 864047294 /nfs/dbraw/zinc/04/72/94/864047294.db2.gz OZWAFIYCRYDEOT-MRXNPFEDSA-N -1 3 397.500 3.742 20 0 GHADHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000184136691 864112934 /nfs/dbraw/zinc/11/29/34/864112934.db2.gz DCGBEGMGVRWOPE-XVJNWHFHSA-N -1 3 381.885 3.888 20 0 GHADHM CCNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)ccc1C ZINC000007505524 864290063 /nfs/dbraw/zinc/29/00/63/864290063.db2.gz IHNAFZMXCLVZPF-UHFFFAOYSA-N -1 3 377.535 3.719 20 0 GHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000554439801 864312123 /nfs/dbraw/zinc/31/21/23/864312123.db2.gz KOIAACHIDXHABD-LJQANCHMSA-N -1 3 391.862 3.910 20 0 GHADHM O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1cccc(Br)c1[O-] ZINC000734582876 864316717 /nfs/dbraw/zinc/31/67/17/864316717.db2.gz PRRVGUPPJFYDOP-HNNXBMFYSA-N -1 3 390.233 3.507 20 0 GHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000898656468 864411003 /nfs/dbraw/zinc/41/10/03/864411003.db2.gz PAVCIEIXLCBRJC-CYBMUJFWSA-N -1 3 387.361 3.984 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(C)nc4ccnn4c3C)nc(=O)c2c1C ZINC000760586250 864429367 /nfs/dbraw/zinc/42/93/67/864429367.db2.gz DMQAVGTTWYEDSA-LLVKDONJSA-N -1 3 397.460 3.591 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)ccc1F ZINC000734787967 864453953 /nfs/dbraw/zinc/45/39/53/864453953.db2.gz IZGSINKUOOZSQT-INIZCTEOSA-N -1 3 398.544 3.801 20 0 GHADHM CCc1onc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000163482347 864522945 /nfs/dbraw/zinc/52/29/45/864522945.db2.gz ORMKOYYQUDGOHN-UHFFFAOYSA-N -1 3 399.472 3.907 20 0 GHADHM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000621881314 864528417 /nfs/dbraw/zinc/52/84/17/864528417.db2.gz JGQQYHCFVJAOJJ-OAHLLOKOSA-N -1 3 378.354 3.581 20 0 GHADHM C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H](C)C1 ZINC000163521569 864530154 /nfs/dbraw/zinc/53/01/54/864530154.db2.gz SALXOGWVYZWOLI-RYUDHWBXSA-N -1 3 377.282 3.799 20 0 GHADHM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1OC1CCOCC1 ZINC000607614988 864559435 /nfs/dbraw/zinc/55/94/35/864559435.db2.gz BLMHAORNYWFCRZ-UHFFFAOYSA-N -1 3 398.484 3.902 20 0 GHADHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)cc2)nn1 ZINC000607616190 864560735 /nfs/dbraw/zinc/56/07/35/864560735.db2.gz FJRMOEMBCRPADI-CQSZACIVSA-N -1 3 397.456 3.702 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)c(C)c1 ZINC000607616302 864560980 /nfs/dbraw/zinc/56/09/80/864560980.db2.gz MKKRTOYHXSTAAY-UHFFFAOYSA-N -1 3 385.445 3.695 20 0 GHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)cc1Cl ZINC000104736902 864587958 /nfs/dbraw/zinc/58/79/58/864587958.db2.gz VJFYTHZRARHZNU-LBPRGKRZSA-N -1 3 398.887 3.655 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccnc(OCC(F)(F)F)c1 ZINC000607627056 864596687 /nfs/dbraw/zinc/59/66/87/864596687.db2.gz AOPKOMFOJUZJRC-UHFFFAOYSA-N -1 3 391.143 3.743 20 0 GHADHM CC(=O)N1CC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000621933848 864616878 /nfs/dbraw/zinc/61/68/78/864616878.db2.gz XIWGUDSADDUOEZ-INIZCTEOSA-N -1 3 378.350 3.639 20 0 GHADHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621965154 864635681 /nfs/dbraw/zinc/63/56/81/864635681.db2.gz FUCPEQDTNZDMLR-YGRLFVJLSA-N -1 3 385.304 3.624 20 0 GHADHM CC[C@@H](C)N[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000554632312 864653081 /nfs/dbraw/zinc/65/30/81/864653081.db2.gz LKSDDOCUWYUFKI-BXUZGUMPSA-N -1 3 381.270 3.607 20 0 GHADHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000063380831 864653364 /nfs/dbraw/zinc/65/33/64/864653364.db2.gz FYCWGPCBJRXINU-UHFFFAOYSA-N -1 3 396.468 3.577 20 0 GHADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000607719304 864689744 /nfs/dbraw/zinc/68/97/44/864689744.db2.gz BOIFKAPXUJPHIU-UHFFFAOYSA-N -1 3 375.428 3.746 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cnc1Cl ZINC000735313291 864736865 /nfs/dbraw/zinc/73/68/65/864736865.db2.gz JXHSWYLJEZCVJD-UHFFFAOYSA-N -1 3 382.766 3.680 20 0 GHADHM O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622060895 864745216 /nfs/dbraw/zinc/74/52/16/864745216.db2.gz XKOOQRMSOPHPAT-GFCCVEGCSA-N -1 3 382.357 3.806 20 0 GHADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156228192 864785103 /nfs/dbraw/zinc/78/51/03/864785103.db2.gz FXTKMNUSICCSMT-WDEREUQCSA-N -1 3 382.320 3.541 20 0 GHADHM 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20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743049311 867785890 /nfs/dbraw/zinc/78/58/90/867785890.db2.gz OFTKJFGUOHKKDB-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM C[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(F)c1F ZINC000640297029 882133401 /nfs/dbraw/zinc/13/34/01/882133401.db2.gz SOWIPTQUBRATKX-SSDOTTSWSA-N -1 3 382.720 3.682 20 0 GHADHM CCC(CC)[C@@H]1C[C@H](NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCO1 ZINC000640297061 882133510 /nfs/dbraw/zinc/13/35/10/882133510.db2.gz TYQPIFISJBLITR-YPMHNXCESA-N -1 3 396.841 3.626 20 0 GHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c(F)cc1F ZINC000793380265 882156661 /nfs/dbraw/zinc/15/66/61/882156661.db2.gz FTTAPFMUVIKJBF-UHFFFAOYSA-N -1 3 397.428 3.642 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3COc4ccccc43)cc2)cc(=O)[n-]1 ZINC000535090307 868148420 /nfs/dbraw/zinc/14/84/20/868148420.db2.gz YYNBDBUHKUBOMO-UGSOOPFHSA-N -1 3 390.443 3.844 20 0 GHADHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)cn1 ZINC000154748644 868222926 /nfs/dbraw/zinc/22/29/26/868222926.db2.gz FAFYQVAEEZRSHM-UHFFFAOYSA-N -1 3 399.447 3.891 20 0 GHADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC3=N[C@H](C)CS3)nc(=O)c2c1C ZINC000766301936 868231395 /nfs/dbraw/zinc/23/13/95/868231395.db2.gz UCIAPOJWLYVFGN-APPZFPTMSA-N -1 3 397.547 3.755 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccco1 ZINC000133311341 882167507 /nfs/dbraw/zinc/16/75/07/882167507.db2.gz QBUBDAFWGSWNKH-AWEZNQCLSA-N -1 3 381.270 3.561 20 0 GHADHM COc1ccc([O-])c(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)c1 ZINC000445346940 868296070 /nfs/dbraw/zinc/29/60/70/868296070.db2.gz XQKAZSGAZHSKMC-UHFFFAOYSA-N -1 3 394.214 3.939 20 0 GHADHM CC(C)CSCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000535175717 868322912 /nfs/dbraw/zinc/32/29/12/868322912.db2.gz RKBGLEUETZVTRP-UHFFFAOYSA-N -1 3 375.332 3.733 20 0 GHADHM COc1ccc([O-])c(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)c1 ZINC000445378659 868352032 /nfs/dbraw/zinc/35/20/32/868352032.db2.gz JECFQDRRVOCHFZ-UHFFFAOYSA-N -1 3 394.214 3.939 20 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GHADHM CC(C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000121726663 882240265 /nfs/dbraw/zinc/24/02/65/882240265.db2.gz XDXKJCMFPJWQIH-AWEZNQCLSA-N -1 3 378.469 3.791 20 0 GHADHM Cc1ccc(SCCOC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C ZINC000744544503 868926214 /nfs/dbraw/zinc/92/62/14/868926214.db2.gz RDXSYANEVOOSEA-UHFFFAOYSA-N -1 3 379.503 3.624 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3nc(-c4ccsc4)oc3C)nc21 ZINC000158420910 868943528 /nfs/dbraw/zinc/94/35/28/868943528.db2.gz BKEFKNLAXWGUED-UHFFFAOYSA-N -1 3 396.428 3.556 20 0 GHADHM COCCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000524382686 868984291 /nfs/dbraw/zinc/98/42/91/868984291.db2.gz PNUKCIYXYWWTMD-UHFFFAOYSA-N -1 3 377.359 3.834 20 0 GHADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cnc(OCC(F)(F)F)cn2)no1 ZINC000445774423 868998831 /nfs/dbraw/zinc/99/88/31/868998831.db2.gz QQOACBCOPDMECD-UHFFFAOYSA-N -1 3 388.305 3.994 20 0 GHADHM C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cc(F)ccc1F ZINC000744727196 869031416 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CCCOc1ccc(Br)cc1CSc1nc2nncc-2c(O)[n-]1 ZINC000462378922 869327086 /nfs/dbraw/zinc/32/70/86/869327086.db2.gz FKDRGEGDLGIXBQ-UHFFFAOYSA-N -1 3 395.282 3.902 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(c4cccc(OC)c4)C3)nc2)n1 ZINC000524625581 869335159 /nfs/dbraw/zinc/33/51/59/869335159.db2.gz DYJADADTPUKXLS-QGZVFWFLSA-N -1 3 391.475 3.506 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)OC)cc2)cc1C ZINC000524640121 869360132 /nfs/dbraw/zinc/36/01/32/869360132.db2.gz DICOXJSLKXEBPO-UHFFFAOYSA-N -1 3 391.489 3.645 20 0 GHADHM C/C(=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1C(F)(F)F ZINC000745274040 869433301 /nfs/dbraw/zinc/43/33/01/869433301.db2.gz RYBVGRFJJKSXJN-LUAWRHEFSA-N -1 3 397.374 3.670 20 0 GHADHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cc(F)c(F)c(F)c1 ZINC000462450709 869458603 /nfs/dbraw/zinc/45/86/03/869458603.db2.gz DZDPFQPPKHYHJH-CYBMUJFWSA-N -1 3 377.384 3.758 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1cc(F)c(F)c(F)c1 ZINC000462476096 869501758 /nfs/dbraw/zinc/50/17/58/869501758.db2.gz RJHKADRBRCRRMX-SFHVURJKSA-N -1 3 378.375 3.567 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1ccc(F)cc1F ZINC000060100504 882314000 /nfs/dbraw/zinc/31/40/00/882314000.db2.gz SSFGMJFKNPOPPU-UHFFFAOYSA-N -1 3 388.233 3.695 20 0 GHADHM O=c1cc(N2CC[C@@H](Nc3nc(Cl)c(C(F)(F)F)cc3Cl)C2)nc[n-]1 ZINC000897347466 869722221 /nfs/dbraw/zinc/72/22/21/869722221.db2.gz NFMROKICLKOOGF-SSDOTTSWSA-N -1 3 394.184 3.594 20 0 GHADHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)Sc1ccccc1 ZINC000462632329 869799634 /nfs/dbraw/zinc/79/96/34/869799634.db2.gz OMMSTSDLNODSNW-SNVBAGLBSA-N -1 3 392.365 3.970 20 0 GHADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C12CCCC2 ZINC000462663795 869866236 /nfs/dbraw/zinc/86/62/36/869866236.db2.gz NXNLDPFUJPKQBW-LSDHHAIUSA-N -1 3 395.418 3.861 20 0 GHADHM CCc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C ZINC000539908751 870004849 /nfs/dbraw/zinc/00/48/49/870004849.db2.gz NTOYAQABIXIOBV-UHFFFAOYSA-N -1 3 390.505 3.725 20 0 GHADHM COc1cc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc(OC)c1[O-] ZINC000446712508 870219028 /nfs/dbraw/zinc/21/90/28/870219028.db2.gz SGPNUVMQWRWUDM-UHFFFAOYSA-N -1 3 386.835 3.674 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)c([O-])c1 ZINC000540026521 870238647 /nfs/dbraw/zinc/23/86/47/870238647.db2.gz HFVKIKKBRXEZCZ-UHFFFAOYSA-N -1 3 398.459 3.597 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)c2cnc3onc(C(C)(C)C)c3c2)c([O-])c1 ZINC000540026427 870238763 /nfs/dbraw/zinc/23/87/63/870238763.db2.gz BWWCSAGCHKYVPY-UHFFFAOYSA-N -1 3 383.404 3.655 20 0 GHADHM C[C@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000187093846 870247599 /nfs/dbraw/zinc/24/75/99/870247599.db2.gz XQOIHNKMJGWJMU-HNNXBMFYSA-N -1 3 390.480 3.889 20 0 GHADHM CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)Cc3ccccc3)CC2)c([O-])c1 ZINC001192322672 870289014 /nfs/dbraw/zinc/28/90/14/870289014.db2.gz JKHLKVGMGIHJPE-UHFFFAOYSA-N -1 3 394.515 3.607 20 0 GHADHM CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)c([O-])c1 ZINC001192340555 870300513 /nfs/dbraw/zinc/30/05/13/870300513.db2.gz QFIYPNPGIDTSCW-UHFFFAOYSA-N -1 3 381.476 3.539 20 0 GHADHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1coc(C2CCC2)n1 ZINC000192460901 870432081 /nfs/dbraw/zinc/43/20/81/870432081.db2.gz VEMXXXSMIQMYIG-UHFFFAOYSA-N -1 3 388.225 3.742 20 0 GHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2cccc(F)c2F)[nH][n-]1 ZINC000446809084 870448602 /nfs/dbraw/zinc/44/86/02/870448602.db2.gz GLVHDGLSUSEXMH-UHFFFAOYSA-N -1 3 377.778 3.620 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCc4ccccc4OC3)cc2)cc(=O)[n-]1 ZINC000509361038 870492107 /nfs/dbraw/zinc/49/21/07/870492107.db2.gz NLKJGNSKIRYYNP-GOSISDBHSA-N -1 3 390.443 3.673 20 0 GHADHM Cn1c2cc([O-])c(NC(=O)c3ccc(OC4CCCCC4)cc3)cc2n(C)c1=O ZINC000461611532 870586194 /nfs/dbraw/zinc/58/61/94/870586194.db2.gz UDDMLLNMHOGCPH-UHFFFAOYSA-N -1 3 395.459 3.546 20 0 GHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000248780898 870631655 /nfs/dbraw/zinc/63/16/55/870631655.db2.gz VFWZLYHTGPHHEM-XHDPSFHLSA-N -1 3 396.260 3.527 20 0 GHADHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccc(Cl)c(Cl)c1 ZINC000461623807 870647935 /nfs/dbraw/zinc/64/79/35/870647935.db2.gz MLNKGPFUGOROGD-VIFPVBQESA-N -1 3 394.258 3.632 20 0 GHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccsc2Br)c1 ZINC001192773756 870657172 /nfs/dbraw/zinc/65/71/72/870657172.db2.gz HFKZATYNBLDDOA-UHFFFAOYSA-N -1 3 376.297 3.882 20 0 GHADHM CS[C@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540219459 870798216 /nfs/dbraw/zinc/79/82/16/870798216.db2.gz GGQJGDIEAXLUCR-SECBINFHSA-N -1 3 384.445 3.547 20 0 GHADHM CCN(CC)C(=O)c1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000804290885 870832126 /nfs/dbraw/zinc/83/21/26/870832126.db2.gz XCIGHGSWTWHLEM-UHFFFAOYSA-N -1 3 395.434 3.710 20 0 GHADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[n-]1 ZINC000617872421 870985184 /nfs/dbraw/zinc/98/51/84/870985184.db2.gz ROLQJDRWGOGZFG-STQMWFEESA-N -1 3 396.472 3.885 20 0 GHADHM CCOC(=O)c1nc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c[n-]1 ZINC000617872421 870985200 /nfs/dbraw/zinc/98/52/00/870985200.db2.gz ROLQJDRWGOGZFG-STQMWFEESA-N -1 3 396.472 3.885 20 0 GHADHM O=C(Nc1ccccc1-c1ccc(F)c(F)c1)c1cccc(OCCO)c1[O-] ZINC001193335464 871028176 /nfs/dbraw/zinc/02/81/76/871028176.db2.gz QYKIPSRZBDCQMC-UHFFFAOYSA-N -1 3 385.366 3.961 20 0 GHADHM Cc1cc(C)n(CCOC(=O)c2n[n-]c(-c3ccccc3)c2Br)n1 ZINC000069582476 871133335 /nfs/dbraw/zinc/13/33/35/871133335.db2.gz CFMIBGRPMLSBQN-UHFFFAOYSA-N -1 3 389.253 3.510 20 0 GHADHM CC(=O)c1ccc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)o2)cc1 ZINC001169076264 871165415 /nfs/dbraw/zinc/16/54/15/871165415.db2.gz TXEJTLAJZHCSIF-UHFFFAOYSA-N -1 3 391.427 3.842 20 0 GHADHM O=S(=O)([N-]CC[C@H]1CCSC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001193627988 871197936 /nfs/dbraw/zinc/19/79/36/871197936.db2.gz HGXQGKICZREXDG-NSHDSACASA-N -1 3 388.967 3.885 20 0 GHADHM COc1cc(CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1Cl ZINC000122256931 882490185 /nfs/dbraw/zinc/49/01/85/882490185.db2.gz BDCWEDUBHSXRLA-UHFFFAOYSA-N -1 3 397.862 3.979 20 0 GHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cnn(-c2cccc(Cl)c2)n1 ZINC000776961571 882494271 /nfs/dbraw/zinc/49/42/71/882494271.db2.gz BQURGTDZNALXLO-UHFFFAOYSA-N -1 3 391.243 3.831 20 0 GHADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1cccc2ncccc21 ZINC000447276917 871303693 /nfs/dbraw/zinc/30/36/93/871303693.db2.gz DYJUNPILEKSMGE-UHFFFAOYSA-N -1 3 386.326 3.915 20 0 GHADHM Cc1nc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)c(-c2ccccc2)s1 ZINC001193830903 871332206 /nfs/dbraw/zinc/33/22/06/871332206.db2.gz SAHHEOBCBPQQST-SJORKVTESA-N -1 3 392.546 3.602 20 0 GHADHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000539112232 871332027 /nfs/dbraw/zinc/33/20/27/871332027.db2.gz CJZVFIVKNLZFDX-UHFFFAOYSA-N -1 3 379.478 3.608 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000539115374 871337823 /nfs/dbraw/zinc/33/78/23/871337823.db2.gz DJVSOQJBMHJKJC-UHFFFAOYSA-N -1 3 382.894 3.886 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]CC(=O)c2ccc(F)c3ccccc23)c(F)c1F ZINC001193849054 871349955 /nfs/dbraw/zinc/34/99/55/871349955.db2.gz DORGAUOIOSEDLL-UHFFFAOYSA-N -1 3 393.386 3.727 20 0 GHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001193936575 871380293 /nfs/dbraw/zinc/38/02/93/871380293.db2.gz OIRBSNCWPXUHFV-UHFFFAOYSA-N -1 3 391.471 3.827 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)c(C)c1 ZINC000525751815 871382874 /nfs/dbraw/zinc/38/28/74/871382874.db2.gz KZZGFIOSLUOPRH-UHFFFAOYSA-N -1 3 391.489 3.689 20 0 GHADHM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCCO1 ZINC001193903821 871388883 /nfs/dbraw/zinc/38/88/83/871388883.db2.gz FRQBNXSXSIYCLA-LBPRGKRZSA-N -1 3 396.734 3.729 20 0 GHADHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)s1 ZINC001193969573 871409719 /nfs/dbraw/zinc/40/97/19/871409719.db2.gz XUXJJNQSMWVABC-CJNGLKHVSA-N -1 3 386.926 3.558 20 0 GHADHM Cc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ncccc2[O-])c(C)c1 ZINC001194045219 871462075 /nfs/dbraw/zinc/46/20/75/871462075.db2.gz WCDMPHDVUBNYLJ-UHFFFAOYSA-N -1 3 375.428 3.586 20 0 GHADHM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc(F)c(Cl)nc1Cl ZINC001194052055 871466477 /nfs/dbraw/zinc/46/64/77/871466477.db2.gz USTNYKYKEQCBFK-UHFFFAOYSA-N -1 3 376.196 3.611 20 0 GHADHM O=S(=O)([N-][C@@H](Cn1ccnc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC001194066092 871471630 /nfs/dbraw/zinc/47/16/30/871471630.db2.gz CNKJGFUUACJNTI-HNNXBMFYSA-N -1 3 396.299 3.910 20 0 GHADHM COC(=O)c1ccc2cc([N-]S(=O)(=O)Cc3noc4ccccc34)ccc2c1 ZINC001194100598 871506882 /nfs/dbraw/zinc/50/68/82/871506882.db2.gz IQRVMOZFNYHMDC-UHFFFAOYSA-N -1 3 396.424 3.710 20 0 GHADHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(C)o1 ZINC000462066524 871516860 /nfs/dbraw/zinc/51/68/60/871516860.db2.gz SQBWUTDKMOYJGI-SNVBAGLBSA-N -1 3 383.413 3.724 20 0 GHADHM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000921006613 882524144 /nfs/dbraw/zinc/52/41/44/882524144.db2.gz CSVPUKJAKNRPQG-OAHLLOKOSA-N -1 3 385.769 3.992 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3occc32)sc1Br ZINC000149957056 871529423 /nfs/dbraw/zinc/52/94/23/871529423.db2.gz IWYRHGUPSPHVJX-JTQLQIEISA-N -1 3 376.297 3.768 20 0 GHADHM O=C(Nc1ncc([O-])cc1Br)c1cc(-c2ccccc2)c[nH]c1=O ZINC001194212215 871558925 /nfs/dbraw/zinc/55/89/25/871558925.db2.gz UJPSUDKYWMMWFB-UHFFFAOYSA-N -1 3 386.205 3.570 20 0 GHADHM Cc1sc(NC(=O)c2cccc3n[n-]nc32)nc1-c1c[nH]c2ncccc12 ZINC000525870742 871562319 /nfs/dbraw/zinc/56/23/19/871562319.db2.gz OIOVEQOMXAFNMV-UHFFFAOYSA-N -1 3 375.417 3.518 20 0 GHADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000539238311 871576240 /nfs/dbraw/zinc/57/62/40/871576240.db2.gz DUDGXIGOVHKFIC-UHFFFAOYSA-N -1 3 375.368 3.575 20 0 GHADHM Cc1csc(SCc2ccccc2C(=O)NNC(=O)c2ccccc2[O-])n1 ZINC000029564066 871577963 /nfs/dbraw/zinc/57/79/63/871577963.db2.gz HODZQTWTXYRHJU-UHFFFAOYSA-N -1 3 399.497 3.524 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1)c1ccccc1 ZINC001194257439 871594602 /nfs/dbraw/zinc/59/46/02/871594602.db2.gz WLQPFUJTGITFOS-SFHVURJKSA-N -1 3 389.860 3.686 20 0 GHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)cc1F ZINC001194372548 871644407 /nfs/dbraw/zinc/64/44/07/871644407.db2.gz YPNQTOJHFZQFQT-UHFFFAOYSA-N -1 3 384.791 3.981 20 0 GHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC[C@@H]1C=CCC1 ZINC001194338992 871654201 /nfs/dbraw/zinc/65/42/01/871654201.db2.gz YSWFFHHPWZVSMY-LLVKDONJSA-N -1 3 392.290 3.622 20 0 GHADHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000776961756 882536376 /nfs/dbraw/zinc/53/63/76/882536376.db2.gz ZGZKNMNOSVTWRS-UHFFFAOYSA-N -1 3 388.865 3.819 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(Cl)cc1F ZINC000146293255 871703879 /nfs/dbraw/zinc/70/38/79/871703879.db2.gz ZSENDILEDJWQFV-KSSFIOAISA-N -1 3 383.872 3.925 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1Cl ZINC001169611051 871705061 /nfs/dbraw/zinc/70/50/61/871705061.db2.gz HTRPUUUANKTHEV-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1Cl ZINC001169611051 871705073 /nfs/dbraw/zinc/70/50/73/871705073.db2.gz HTRPUUUANKTHEV-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)oc2c(Br)c1 ZINC000182003736 871739534 /nfs/dbraw/zinc/73/95/34/871739534.db2.gz GRTFDTGOPVNXLY-LBPRGKRZSA-N -1 3 398.216 3.860 20 0 GHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cncc(Br)c1Cl ZINC001194604195 871830515 /nfs/dbraw/zinc/83/05/15/871830515.db2.gz BCSUZCFEZLDZKC-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM Cn1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc2cc(C(F)(F)F)ccc21 ZINC000463488153 871875845 /nfs/dbraw/zinc/87/58/45/871875845.db2.gz DVWWHXONDFTAHA-UHFFFAOYSA-N -1 3 375.310 3.828 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2)cc(=O)[n-]1 ZINC000552041305 871921439 /nfs/dbraw/zinc/92/14/39/871921439.db2.gz IZQYVVIIVJNRCK-SFHVURJKSA-N -1 3 378.436 3.640 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000175279242 882564323 /nfs/dbraw/zinc/56/43/23/882564323.db2.gz VOZRBDUPJGZADC-KRWDZBQOSA-N -1 3 391.427 3.654 20 0 GHADHM O=C(Nc1ccc2nc(C3CC3)oc2c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000175279221 882564356 /nfs/dbraw/zinc/56/43/56/882564356.db2.gz VOZRBDUPJGZADC-QGZVFWFLSA-N -1 3 391.427 3.654 20 0 GHADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(C2CCCC2)C1 ZINC000526025632 871970682 /nfs/dbraw/zinc/97/06/82/871970682.db2.gz VDGWAZMJSPVGLK-UHFFFAOYSA-N -1 3 375.266 3.553 20 0 GHADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2scnc2Br)c1 ZINC000775610950 871971745 /nfs/dbraw/zinc/97/17/45/871971745.db2.gz MRTBLSAZXQICPY-UHFFFAOYSA-N -1 3 375.631 3.598 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3ccnc3)c2)c(C)c1C ZINC001194863039 871994749 /nfs/dbraw/zinc/99/47/49/871994749.db2.gz BMCONJKFOFORGS-UHFFFAOYSA-N -1 3 385.489 3.666 20 0 GHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C)COC3)cc2)c(C)c1C ZINC001194866122 871998941 /nfs/dbraw/zinc/99/89/41/871998941.db2.gz DSMONJHBJYYFGL-UHFFFAOYSA-N -1 3 375.490 3.709 20 0 GHADHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2c(Cl)ccc3ncccc32)cc1F ZINC001194981889 872085918 /nfs/dbraw/zinc/08/59/18/872085918.db2.gz OZINYBKRUGRNSC-UHFFFAOYSA-N -1 3 393.827 3.651 20 0 GHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(C)cc3Cl)c2)[n-]1 ZINC000447679778 872087848 /nfs/dbraw/zinc/08/78/48/872087848.db2.gz OWSMKCCUAORXFS-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(C)cc3Cl)c2)n[n-]1 ZINC000447679778 872087870 /nfs/dbraw/zinc/08/78/70/872087870.db2.gz OWSMKCCUAORXFS-UHFFFAOYSA-N -1 3 398.850 3.540 20 0 GHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000494601607 882579073 /nfs/dbraw/zinc/57/90/73/882579073.db2.gz MOBYUJKGWDVSRJ-UHFFFAOYSA-N -1 3 375.368 3.827 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCOC[C@@H]3OCc3ccccc3)n[n-]2)o1 ZINC000767012336 872162733 /nfs/dbraw/zinc/16/27/33/872162733.db2.gz XBZDKYULNRRDKA-UXHICEINSA-N -1 3 382.416 3.509 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCOC[C@@H]3OCc3ccccc3)[n-]n2)o1 ZINC000767012336 872162738 /nfs/dbraw/zinc/16/27/38/872162738.db2.gz XBZDKYULNRRDKA-UXHICEINSA-N -1 3 382.416 3.509 20 0 GHADHM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132821 872190756 /nfs/dbraw/zinc/19/07/56/872190756.db2.gz BHTPRFHBTYWGGN-UBHSHLNASA-N -1 3 380.872 3.556 20 0 GHADHM O=S(=O)([N-]C[C@]1(c2ccccc2)CCCO1)c1c(Cl)cccc1Cl ZINC001195184175 872210985 /nfs/dbraw/zinc/21/09/85/872210985.db2.gz BJJOFQCLOKHMLX-KRWDZBQOSA-N -1 3 386.300 3.978 20 0 GHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC001195156400 872221462 /nfs/dbraw/zinc/22/14/62/872221462.db2.gz KZFATTJYZKQIGD-UHFFFAOYSA-N -1 3 391.512 3.502 20 0 GHADHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1F ZINC001195159404 872222725 /nfs/dbraw/zinc/22/27/25/872222725.db2.gz PWOUVOHQHFJXJQ-UHFFFAOYSA-N -1 3 383.416 3.984 20 0 GHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC001195252071 872282114 /nfs/dbraw/zinc/28/21/14/872282114.db2.gz KFLUMAYWFKENIJ-AWEZNQCLSA-N -1 3 393.814 3.679 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000477989282 872285694 /nfs/dbraw/zinc/28/56/94/872285694.db2.gz IMEUQYVLOWYEPO-AZUAARDMSA-N -1 3 379.435 3.712 20 0 GHADHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767134775 872289428 /nfs/dbraw/zinc/28/94/28/872289428.db2.gz CZSDIKDCFACMIT-ZDUSSCGKSA-N -1 3 387.361 3.984 20 0 GHADHM CSc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000101833657 872291516 /nfs/dbraw/zinc/29/15/16/872291516.db2.gz SGZSNNCVXVKZAW-UHFFFAOYSA-N -1 3 396.509 3.511 20 0 GHADHM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3ccc(Cl)c(F)c3)on2)c1 ZINC001195304691 872326057 /nfs/dbraw/zinc/32/60/57/872326057.db2.gz YXBVGXPGKGBCDE-UHFFFAOYSA-N -1 3 396.827 3.621 20 0 GHADHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1c(Br)ccc2ccccc21 ZINC001195690132 872555237 /nfs/dbraw/zinc/55/52/37/872555237.db2.gz YITIMRGPTWJQFE-UHFFFAOYSA-N -1 3 381.251 3.710 20 0 GHADHM Cc1cc(C)cc(OCCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000619324363 872567398 /nfs/dbraw/zinc/56/73/98/872567398.db2.gz GQGOQRDJOYUVQL-UHFFFAOYSA-N -1 3 392.459 3.975 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000540953731 872603816 /nfs/dbraw/zinc/60/38/16/872603816.db2.gz BMVLQNMWNYFYJQ-INIZCTEOSA-N -1 3 390.277 3.979 20 0 GHADHM Cc1cc(Br)cc(Cl)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195754854 872610466 /nfs/dbraw/zinc/61/04/66/872610466.db2.gz BUYXPFDIOJPBFX-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM O=C(c1ccc(-c2cccc3cccnc32)cc1)N1CCc2c(nc[n-]c2=O)C1 ZINC000552415772 872610960 /nfs/dbraw/zinc/61/09/60/872610960.db2.gz OUOHKHPKCADCRX-UHFFFAOYSA-N -1 3 382.423 3.596 20 0 GHADHM Cc1c2ccccc2sc1[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000767578445 872640870 /nfs/dbraw/zinc/64/08/70/872640870.db2.gz NJMWSVGFWZGFNJ-BLLLJJGKSA-N -1 3 383.535 3.778 20 0 GHADHM [O-]c1ccc(I)cc1NC(=S)Nc1ccccc1F ZINC001195782506 872659451 /nfs/dbraw/zinc/65/94/51/872659451.db2.gz RKHSDXJZKNXQTC-UHFFFAOYSA-N -1 3 388.205 3.945 20 0 GHADHM Cc1occc1C(=O)Nc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1F ZINC000527106379 872669641 /nfs/dbraw/zinc/66/96/41/872669641.db2.gz BUQVRCKDORNKBA-UHFFFAOYSA-N -1 3 379.351 3.503 20 0 GHADHM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448011168 872703618 /nfs/dbraw/zinc/70/36/18/872703618.db2.gz PAUVMCSXEBBFOE-INIZCTEOSA-N -1 3 399.545 3.647 20 0 GHADHM CCOC(=O)c1sc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)nc1C ZINC000527166653 872768706 /nfs/dbraw/zinc/76/87/06/872768706.db2.gz UAONUDYYGUUHDV-LBPRGKRZSA-N -1 3 384.457 3.978 20 0 GHADHM COC(=O)[C@@]1([N-]S(=O)(=O)CCC2CCCCC2)CC[C@@H](C)c2ccccc21 ZINC001196052069 872858525 /nfs/dbraw/zinc/85/85/25/872858525.db2.gz JLBWNRVREMVRJJ-IIBYNOLFSA-N -1 3 393.549 3.842 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)ccc1F ZINC000176084061 882664490 /nfs/dbraw/zinc/66/44/90/882664490.db2.gz KORWMLWKYSQORW-UHFFFAOYSA-N -1 3 382.233 3.530 20 0 GHADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151609667 872950995 /nfs/dbraw/zinc/95/09/95/872950995.db2.gz LAVMGAANYQVILE-UONOGXRCSA-N -1 3 376.250 3.583 20 0 GHADHM COCCC[C@@H](CNC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cc1 ZINC000552680951 872988713 /nfs/dbraw/zinc/98/87/13/872988713.db2.gz KUBQJHBRBPNMDC-ZDUSSCGKSA-N -1 3 390.846 3.691 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccccc1F)C1CCC1)c1cccc(Br)n1 ZINC001196333610 873039398 /nfs/dbraw/zinc/03/93/98/873039398.db2.gz NMOSQLXDBCTFQS-MRXNPFEDSA-N -1 3 399.285 3.803 20 0 GHADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000122732095 882679466 /nfs/dbraw/zinc/67/94/66/882679466.db2.gz HOQWMZJADIYJSZ-WOJBJXKFSA-N -1 3 388.508 3.941 20 0 GHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1F)c1cccc(Br)n1 ZINC001196336808 873042139 /nfs/dbraw/zinc/04/21/39/873042139.db2.gz MVYOGDTYLQDIAS-CQSZACIVSA-N -1 3 399.285 3.803 20 0 GHADHM O=C(Nc1cnc(C2CC2)s1)c1cc([O-])cc(I)c1 ZINC001196403227 873077189 /nfs/dbraw/zinc/07/71/89/873077189.db2.gz WOKIZBAWGGEYNI-UHFFFAOYSA-N -1 3 386.214 3.583 20 0 GHADHM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc2cc(Cl)ccc2c1 ZINC001196433328 873113098 /nfs/dbraw/zinc/11/30/98/873113098.db2.gz XNHUVXPHUAOITR-UHFFFAOYSA-N -1 3 384.848 3.875 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 ZINC001196455388 873139974 /nfs/dbraw/zinc/13/99/74/873139974.db2.gz YSPORRSRYPITDT-UHFFFAOYSA-N -1 3 383.857 3.883 20 0 GHADHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000056134675 873194283 /nfs/dbraw/zinc/19/42/83/873194283.db2.gz PBTTXPWUBCATMK-UHFFFAOYSA-N -1 3 394.858 3.917 20 0 GHADHM CCOC(=O)Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000768292046 873213588 /nfs/dbraw/zinc/21/35/88/873213588.db2.gz JSSXXBJOXOAROB-UHFFFAOYSA-N -1 3 393.237 3.653 20 0 GHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)cc1 ZINC000768293683 873214654 /nfs/dbraw/zinc/21/46/54/873214654.db2.gz CIDZZNJCKWOKFF-UHFFFAOYSA-N -1 3 381.425 3.592 20 0 GHADHM Cc1nc(Cl)cc(Cl)c1C(=O)[N-]c1nonc1-c1nc2ccccc2[nH]1 ZINC001196682355 873282889 /nfs/dbraw/zinc/28/28/89/873282889.db2.gz ITLMZPULXMFSHK-UHFFFAOYSA-N -1 3 389.202 3.875 20 0 GHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000122788309 882708834 /nfs/dbraw/zinc/70/88/34/882708834.db2.gz PRXQQMXVGLLGHG-UHFFFAOYSA-N -1 3 390.530 3.623 20 0 GHADHM COC(=O)CCCCS(=O)(=O)[N-]c1c(C)cccc1Oc1ccccc1 ZINC001196946241 873492061 /nfs/dbraw/zinc/49/20/61/873492061.db2.gz MMVVRCSANKDVOX-UHFFFAOYSA-N -1 3 377.462 3.872 20 0 GHADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(-c3ccsc3)cc2)c(C)o1 ZINC000768745324 873547854 /nfs/dbraw/zinc/54/78/54/873547854.db2.gz IWYPVZXEKVHRSR-UHFFFAOYSA-N -1 3 391.470 3.582 20 0 GHADHM Cc1ncc(CNC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000541440603 873585168 /nfs/dbraw/zinc/58/51/68/873585168.db2.gz AADIOUGFCCEDAA-INIZCTEOSA-N -1 3 388.880 3.794 20 0 GHADHM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000768902709 873661027 /nfs/dbraw/zinc/66/10/27/873661027.db2.gz XVPHGMGIAUJJDI-IJDCCNJMSA-N -1 3 397.855 3.592 20 0 GHADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001211902993 873685947 /nfs/dbraw/zinc/68/59/47/873685947.db2.gz JKSBPZRWCMWNGY-JTQLQIEISA-N -1 3 394.440 3.532 20 0 GHADHM COc1cc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)ccc1OCC(C)C ZINC000448686938 873806005 /nfs/dbraw/zinc/80/60/05/873806005.db2.gz NVWQSNYYZSJIBC-CQSZACIVSA-N -1 3 375.440 3.995 20 0 GHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-][C@@H]1COc2ccc(F)cc21 ZINC001197549538 873892384 /nfs/dbraw/zinc/89/23/84/873892384.db2.gz RRJWUVROCNQCPK-CQSZACIVSA-N -1 3 376.236 3.686 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@]3(C)Br)c2)n1 ZINC000528029565 873893245 /nfs/dbraw/zinc/89/32/45/873893245.db2.gz JQONWMHMNIBDDY-DYVFJYSZSA-N -1 3 376.254 3.524 20 0 GHADHM O=C1c2ccccc2CC[C@@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197555939 873897514 /nfs/dbraw/zinc/89/75/14/873897514.db2.gz YMLXBCLQOVHQBD-INIZCTEOSA-N -1 3 384.284 3.611 20 0 GHADHM COC(=O)c1cc([N-]C(=O)c2c(C)noc2C(F)(F)F)c(OC)cc1Cl ZINC001197598885 873933066 /nfs/dbraw/zinc/93/30/66/873933066.db2.gz LHFGHZHGQPTONL-UHFFFAOYSA-N -1 3 392.717 3.703 20 0 GHADHM COc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1Br ZINC001197600473 873934087 /nfs/dbraw/zinc/93/40/87/873934087.db2.gz OQFBXCZGHIZOGK-UHFFFAOYSA-N -1 3 392.221 3.678 20 0 GHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(F)c(F)c1Br ZINC001197601461 873935755 /nfs/dbraw/zinc/93/57/55/873935755.db2.gz YSYRYQVXHBRRPJ-UHFFFAOYSA-N -1 3 398.175 3.947 20 0 GHADHM CC(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 ZINC001197672271 873960779 /nfs/dbraw/zinc/96/07/79/873960779.db2.gz FNUHSAFQEZWHRB-UHFFFAOYSA-N -1 3 385.844 3.986 20 0 GHADHM O=c1cc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)n(C2CCCC2)[n-]1 ZINC001197718161 873972899 /nfs/dbraw/zinc/97/28/99/873972899.db2.gz ZYPYJUQYWZYYRQ-UHFFFAOYSA-N -1 3 390.292 3.953 20 0 GHADHM [O-]C(=NOCC(F)F)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001197710628 873996299 /nfs/dbraw/zinc/99/62/99/873996299.db2.gz RMBYDBHUUHWTHK-UHFFFAOYSA-N -1 3 397.325 3.951 20 0 GHADHM O=C([N-]OCC(F)F)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001197710628 873996305 /nfs/dbraw/zinc/99/63/05/873996305.db2.gz RMBYDBHUUHWTHK-UHFFFAOYSA-N -1 3 397.325 3.951 20 0 GHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(OCc2ccccc2)ccc1O ZINC001197722446 874007786 /nfs/dbraw/zinc/00/77/86/874007786.db2.gz DOFTUQJWQHJSFD-UHFFFAOYSA-N -1 3 375.384 3.805 20 0 GHADHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1cncc(OC(F)F)c1 ZINC001197727395 874011376 /nfs/dbraw/zinc/01/13/76/874011376.db2.gz MCNRDKQBXKTQGK-UHFFFAOYSA-N -1 3 383.203 3.932 20 0 GHADHM CC(=O)N[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000134216819 882787438 /nfs/dbraw/zinc/78/74/38/882787438.db2.gz HMJTYEHAZOJQIJ-INIZCTEOSA-N -1 3 380.366 3.925 20 0 GHADHM CCCc1ccc(-c2cc(NC(=O)Cc3ccc([O-])c(F)c3)n(CCO)n2)cc1 ZINC000448880463 874119965 /nfs/dbraw/zinc/11/99/65/874119965.db2.gz HPLDTVJNZMGGAF-UHFFFAOYSA-N -1 3 397.450 3.521 20 0 GHADHM Cc1ccc(NC(=S)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c(C)c1 ZINC001197987276 874171110 /nfs/dbraw/zinc/17/11/10/874171110.db2.gz QCJNGQSIXGWAHV-HNNXBMFYSA-N -1 3 377.510 3.516 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCS1)c1c(Cl)cccc1Br ZINC000302444957 874201447 /nfs/dbraw/zinc/20/14/47/874201447.db2.gz NNIIXYXWJSYCET-SECBINFHSA-N -1 3 384.748 3.667 20 0 GHADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)[C@@H](C)C3CC3)c2)c1 ZINC000769688035 874210580 /nfs/dbraw/zinc/21/05/80/874210580.db2.gz CDLMHZPABXFVOJ-ZDUSSCGKSA-N -1 3 398.459 3.532 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(Br)c(F)cc1F ZINC000464643315 874221071 /nfs/dbraw/zinc/22/10/71/874221071.db2.gz NGARQKZRRULHPF-UHFFFAOYSA-N -1 3 387.571 3.676 20 0 GHADHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000464647277 874231613 /nfs/dbraw/zinc/23/16/13/874231613.db2.gz LXNBPKDFKQXYGW-UHFFFAOYSA-N -1 3 387.827 3.821 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1ccc2nccnc2c1 ZINC001198153181 874249583 /nfs/dbraw/zinc/24/95/83/874249583.db2.gz KIXWAGBHUYMVJZ-UHFFFAOYSA-N -1 3 389.305 3.728 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(Cl)n1 ZINC001198501853 874445052 /nfs/dbraw/zinc/44/50/52/874445052.db2.gz 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O=C(NCc1ccnc(-c2ccccc2)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001170111918 879089330 /nfs/dbraw/zinc/08/93/30/879089330.db2.gz JOQZUCJQRWFHPW-UHFFFAOYSA-N -1 3 391.377 3.798 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CC(c4ccccc4F)C3)cc2)cc(=O)[n-]1 ZINC000461117396 879201707 /nfs/dbraw/zinc/20/17/07/879201707.db2.gz UIFVMNDDFKZAGW-UHFFFAOYSA-N -1 3 378.407 3.928 20 0 GHADHM CO[C@]1(C)C[C@@H](N(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1(C)C ZINC000531205832 879322423 /nfs/dbraw/zinc/32/24/23/879322423.db2.gz WAHQGHVDYDKEJO-DYESRHJHSA-N -1 3 384.480 3.825 20 0 GHADHM Cc1ccc(C[C@H](C)C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1 ZINC000180793604 879330065 /nfs/dbraw/zinc/33/00/65/879330065.db2.gz FMLWKDVOIOXHOA-LBPRGKRZSA-N -1 3 393.256 3.536 20 0 GHADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1ccccc1Oc1ccccc1 ZINC000790075444 879417427 /nfs/dbraw/zinc/41/74/27/879417427.db2.gz WXZOACSGTSKRNJ-UHFFFAOYSA-N -1 3 388.383 3.546 20 0 GHADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1ccccc1Oc1ccccc1 ZINC000790075444 879417435 /nfs/dbraw/zinc/41/74/35/879417435.db2.gz WXZOACSGTSKRNJ-UHFFFAOYSA-N -1 3 388.383 3.546 20 0 GHADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1ccccc1Oc1ccccc1 ZINC000790075444 879417439 /nfs/dbraw/zinc/41/74/39/879417439.db2.gz WXZOACSGTSKRNJ-UHFFFAOYSA-N -1 3 388.383 3.546 20 0 GHADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180974821 879553710 /nfs/dbraw/zinc/55/37/10/879553710.db2.gz LRMZCEAUHXGSTR-UHFFFAOYSA-N -1 3 382.802 3.547 20 0 GHADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000452536103 879602285 /nfs/dbraw/zinc/60/22/85/879602285.db2.gz XVEKMAILMFTDIF-UONOGXRCSA-N -1 3 393.484 3.511 20 0 GHADHM COc1cccc2cc(C[N-]c3nnc([C@@H]4COc5ccccc5O4)o3)oc21 ZINC000776721814 879646751 /nfs/dbraw/zinc/64/67/51/879646751.db2.gz UKFPCNFADRIRJD-KRWDZBQOSA-N -1 3 379.372 3.949 20 0 GHADHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 ZINC000538539278 879678378 /nfs/dbraw/zinc/67/83/78/879678378.db2.gz SDBORJNBUIYQOI-CVEARBPZSA-N -1 3 380.535 3.682 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1OCC ZINC000007927756 879680761 /nfs/dbraw/zinc/68/07/61/879680761.db2.gz WFDVHCNHMZOPQU-UHFFFAOYSA-N -1 3 375.368 3.702 20 0 GHADHM O=C(NCCOc1ccccc1-c1ccccc1)N[N-]C(=O)c1ccccc1F ZINC000069206063 879687927 /nfs/dbraw/zinc/68/79/27/879687927.db2.gz WMWBUAVIWGWFPY-UHFFFAOYSA-N -1 3 393.418 3.516 20 0 GHADHM COC1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493884524 879697438 /nfs/dbraw/zinc/69/74/38/879697438.db2.gz YLDNLPMATIDIGJ-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1cccc(Cl)c1Br ZINC000493889286 879701444 /nfs/dbraw/zinc/70/14/44/879701444.db2.gz UBAWZDIKYTXGIM-VIFPVBQESA-N -1 3 384.748 3.667 20 0 GHADHM O=C(CCCNC(=O)NC1CCCCC1)Nc1cc(Br)ccc1[O-] ZINC000531393936 879731788 /nfs/dbraw/zinc/73/17/88/879731788.db2.gz ISLWQJYJORIIDK-UHFFFAOYSA-N -1 3 398.301 3.505 20 0 GHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Cl)nc3Cl)CCCC2)n1 ZINC000112618132 880050544 /nfs/dbraw/zinc/05/05/44/880050544.db2.gz PAQMGKAYWUUDEL-UHFFFAOYSA-N -1 3 392.333 3.901 20 0 GHADHM Cc1cccc2c1CC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000531739724 880371227 /nfs/dbraw/zinc/37/12/27/880371227.db2.gz GOTJWHXLEJGWMI-MRXNPFEDSA-N -1 3 375.266 3.950 20 0 GHADHM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791366563 880375223 /nfs/dbraw/zinc/37/52/23/880375223.db2.gz KUBOGVGUNZVKNO-UHFFFAOYSA-N -1 3 375.471 3.712 20 0 GHADHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000094037369 912571998 /nfs/dbraw/zinc/57/19/98/912571998.db2.gz PEWJXFJIWNRIOD-UHFFFAOYSA-N -1 3 376.412 3.667 20 0 GHADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)OC(C)C ZINC000185189368 880501419 /nfs/dbraw/zinc/50/14/19/880501419.db2.gz IDPCRGGBIJCPCM-IBGZPJMESA-N -1 3 399.459 3.559 20 0 GHADHM O=C(NCc1ncccc1[O-])Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000791808658 880706129 /nfs/dbraw/zinc/70/61/29/880706129.db2.gz RIWRPKGMHOPDQM-UHFFFAOYSA-N -1 3 380.473 3.733 20 0 GHADHM COc1ccccc1[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)OC(C)C ZINC000186007426 880757905 /nfs/dbraw/zinc/75/79/05/880757905.db2.gz IJJSXFSVZYEXKZ-IBGZPJMESA-N -1 3 376.428 3.505 20 0 GHADHM CCCN(Cc1cc([O-])cc(F)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000186162063 880807913 /nfs/dbraw/zinc/80/79/13/880807913.db2.gz GTURTDGKFLQLJY-UHFFFAOYSA-N -1 3 375.831 3.833 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN[C@@H](C)c3ccoc3)c2)cc1 ZINC000531966796 880833323 /nfs/dbraw/zinc/83/33/23/880833323.db2.gz BJJZQGGZLWUWGU-HNNXBMFYSA-N -1 3 386.473 3.940 20 0 GHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000531975898 880853498 /nfs/dbraw/zinc/85/34/98/880853498.db2.gz NQFBNLNEIAQUPX-GDBMZVCRSA-N -1 3 375.266 3.585 20 0 GHADHM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000792160515 880950430 /nfs/dbraw/zinc/95/04/30/880950430.db2.gz XEMMNNGVVMRNOJ-QFIPXVFZSA-N -1 3 384.476 3.969 20 0 GHADHM CC(C)C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])N1CCCCC1=O ZINC000532030354 881001696 /nfs/dbraw/zinc/00/16/96/881001696.db2.gz MWXBCVPPVOAZKK-AWEZNQCLSA-N -1 3 383.286 3.520 20 0 GHADHM Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)ccc2C)[n-]c1-c1ccccc1 ZINC000186850931 881005853 /nfs/dbraw/zinc/00/58/53/881005853.db2.gz BLWJCLKXMFTFEN-INIZCTEOSA-N -1 3 397.500 3.803 20 0 GHADHM CC(C)c1nc(CCNC(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000119780190 881147770 /nfs/dbraw/zinc/14/77/70/881147770.db2.gz NJWBFAVXTYHMPF-UHFFFAOYSA-N -1 3 398.326 3.777 20 0 GHADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000119788274 881153216 /nfs/dbraw/zinc/15/32/16/881153216.db2.gz KMTBQIVVRBDOCE-UHFFFAOYSA-N -1 3 377.322 3.709 20 0 GHADHM CCCCc1nc(NC(=O)c2cc(Cl)cc(Cl)n2)c(C(=O)OCC)[n-]1 ZINC000792553750 881187402 /nfs/dbraw/zinc/18/74/02/881187402.db2.gz PUBPQVKRFWGHKP-UHFFFAOYSA-N -1 3 385.251 3.883 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c(C)c1 ZINC000120000015 881258445 /nfs/dbraw/zinc/25/84/45/881258445.db2.gz RFLYTGSNYKLCDJ-UHFFFAOYSA-N -1 3 390.486 3.840 20 0 GHADHM CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ncccc2[O-])cc1 ZINC000792614639 881312869 /nfs/dbraw/zinc/31/28/69/881312869.db2.gz WATGIOYYPDNUTF-UHFFFAOYSA-N -1 3 381.457 3.593 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129728484 883137739 /nfs/dbraw/zinc/13/77/39/883137739.db2.gz MAPCUMXHXBOUSF-QGZVFWFLSA-N -1 3 383.427 3.925 20 0 GHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129728484 883137744 /nfs/dbraw/zinc/13/77/44/883137744.db2.gz MAPCUMXHXBOUSF-QGZVFWFLSA-N -1 3 383.427 3.925 20 0 GHADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1Br ZINC001129733074 883142943 /nfs/dbraw/zinc/14/29/43/883142943.db2.gz PXCDPZPORYZWRJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1Br ZINC001129733074 883142950 /nfs/dbraw/zinc/14/29/50/883142950.db2.gz PXCDPZPORYZWRJ-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C1c2ccccc2C(=O)N1CCCCCCSc1cc(Cl)nc(=O)[n-]1 ZINC000858541427 883184385 /nfs/dbraw/zinc/18/43/85/883184385.db2.gz JTGAZMYECZPSEO-UHFFFAOYSA-N -1 3 391.880 3.784 20 0 GHADHM O=c1[n-]c(SCc2ccc(OCc3ccc(F)cc3)cc2)nc2[nH]ncc21 ZINC000193451179 883279693 /nfs/dbraw/zinc/27/96/93/883279693.db2.gz AEVFDXCNGCZAET-UHFFFAOYSA-N -1 3 382.420 3.657 20 0 GHADHM CC1(C)CCC(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC001129895313 883312340 /nfs/dbraw/zinc/31/23/40/883312340.db2.gz CSVGGMAUPVFVKK-OAHLLOKOSA-N -1 3 382.426 3.839 20 0 GHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)nc2)n1 ZINC000858845611 883397814 /nfs/dbraw/zinc/39/78/14/883397814.db2.gz NFWAXFFZBAPFOQ-XJKSGUPXSA-N -1 3 399.495 3.616 20 0 GHADHM O=S(=O)([N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000805121274 883582975 /nfs/dbraw/zinc/58/29/75/883582975.db2.gz BGVMCCRVVBKTKP-CYBMUJFWSA-N -1 3 397.777 3.510 20 0 GHADHM Cc1ccccc1CCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130086909 883609312 /nfs/dbraw/zinc/60/93/12/883609312.db2.gz JDXRQQMODMDSFD-QGZVFWFLSA-N -1 3 390.405 3.564 20 0 GHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000609769398 883626200 /nfs/dbraw/zinc/62/62/00/883626200.db2.gz QETAJUZSADNZQJ-GHMZBOCLSA-N -1 3 382.320 3.541 20 0 GHADHM Cc1nc(C)c(CC(=O)N2C[C@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000136049054 883633097 /nfs/dbraw/zinc/63/30/97/883633097.db2.gz BATQONDUJABXBL-PIGZYNQJSA-N -1 3 393.409 3.558 20 0 GHADHM O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000186885063 883726422 /nfs/dbraw/zinc/72/64/22/883726422.db2.gz UETKUGATGLPQGV-MRXNPFEDSA-N -1 3 398.413 3.566 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N[C@@]3(CO)C[C@H](C)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000477156614 883817803 /nfs/dbraw/zinc/81/78/03/883817803.db2.gz MVQLWBXYBYYCPH-PEBXRYMYSA-N -1 3 398.507 3.856 20 0 GHADHM Cc1nn(C)c2sc(C(=O)[N-]c3nc(-c4cccnc4Cl)ns3)cc12 ZINC001130206152 883839617 /nfs/dbraw/zinc/83/96/17/883839617.db2.gz HZMNOBYEVUSMTI-UHFFFAOYSA-N -1 3 390.881 3.762 20 0 GHADHM Cc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)ccc1Br ZINC000551421239 883843964 /nfs/dbraw/zinc/84/39/64/883843964.db2.gz ZLNIVPAJBBMLTG-SFHVURJKSA-N -1 3 378.241 3.913 20 0 GHADHM COC(=O)c1ccc(C(=O)N2CCCc3cc(OCc4ccccc4)ccc32)[n-]1 ZINC000556180732 884003635 /nfs/dbraw/zinc/00/36/35/884003635.db2.gz MNYHZIQAARIYCA-UHFFFAOYSA-N -1 3 390.439 3.973 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccc[nH]3)c2)cc1 ZINC000760418684 884079381 /nfs/dbraw/zinc/07/93/81/884079381.db2.gz VNRGLAMSEAAFQZ-MRXNPFEDSA-N -1 3 397.500 3.923 20 0 GHADHM COc1cccc(OC)c1OCc1nc(=O)c2c3c(sc2[n-]1)CSCC3 ZINC000494894201 884166507 /nfs/dbraw/zinc/16/65/07/884166507.db2.gz PXINGSHHKQJJQF-UHFFFAOYSA-N -1 3 390.486 3.782 20 0 GHADHM Cc1ccc(CCC(=O)Nc2n[n-]c(-c3ccco3)n2)c(Br)c1 ZINC000476235438 884288848 /nfs/dbraw/zinc/28/88/48/884288848.db2.gz KIOGSNMVLFQHGO-UHFFFAOYSA-N -1 3 375.226 3.707 20 0 GHADHM C[C@@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)c1ccccc1 ZINC000795780425 912810733 /nfs/dbraw/zinc/81/07/33/912810733.db2.gz FWNBDPIEIZGQDY-LLVKDONJSA-N -1 3 387.379 3.995 20 0 GHADHM Cc1nc2sccn2c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000860245130 884478880 /nfs/dbraw/zinc/47/88/80/884478880.db2.gz WJQHXRIGQOQHCP-VIFPVBQESA-N -1 3 388.474 3.949 20 0 GHADHM Cc1nc(C)c(CCC(=O)Nc2cccc(COc3cccc(F)c3)c2)c(=O)[n-]1 ZINC000193158599 884533533 /nfs/dbraw/zinc/53/35/33/884533533.db2.gz WPRRLORDEVJPKW-UHFFFAOYSA-N -1 3 395.434 3.676 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C ZINC000032591606 884572411 /nfs/dbraw/zinc/57/24/11/884572411.db2.gz HPISHORKDIFPCV-UHFFFAOYSA-N -1 3 376.478 3.789 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1nccs1 ZINC000016641414 884590550 /nfs/dbraw/zinc/59/05/50/884590550.db2.gz CMYXFYLRFGXFPP-UHFFFAOYSA-N -1 3 391.449 3.644 20 0 GHADHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(C)n1[C@@H]1CCCOC1 ZINC000860364082 884604260 /nfs/dbraw/zinc/60/42/60/884604260.db2.gz UWSRNBOPSOGGBD-OAHLLOKOSA-N -1 3 397.431 3.569 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)[n-]n1 ZINC000898095864 884604128 /nfs/dbraw/zinc/60/41/28/884604128.db2.gz GPMHTPAFSPQVDJ-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)n[n-]1 ZINC000898095864 884604138 /nfs/dbraw/zinc/60/41/38/884604138.db2.gz GPMHTPAFSPQVDJ-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM CCC[C@H](NCc1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263436065 884853083 /nfs/dbraw/zinc/85/30/83/884853083.db2.gz USCFECVWDQWJAP-NRFANRHFSA-N -1 3 395.503 3.882 20 0 GHADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1Cc2ccccc2C1 ZINC000106027889 884921691 /nfs/dbraw/zinc/92/16/91/884921691.db2.gz CXVOLKTYGKGLEH-UHFFFAOYSA-N -1 3 396.443 3.783 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806841740 885054039 /nfs/dbraw/zinc/05/40/39/885054039.db2.gz YRZYQEYCWZNKNU-QFIPXVFZSA-N -1 3 394.446 3.977 20 0 GHADHM COc1ccc([C@H](NC(=O)COC(=O)c2cc3ccsc3[n-]2)C2CC2)cc1 ZINC000914891514 885117684 /nfs/dbraw/zinc/11/76/84/885117684.db2.gz REKVUOJKMWNYPD-GOSISDBHSA-N -1 3 384.457 3.662 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1Cl ZINC000117933432 885188501 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3 376.412 3.881 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)n[n-]2)o1 ZINC000919326810 885338735 /nfs/dbraw/zinc/33/87/35/885338735.db2.gz UFXRPQJFBXMZAM-JTQLQIEISA-N -1 3 391.786 3.955 20 0 GHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)[n-]n2)o1 ZINC000919326810 885338749 /nfs/dbraw/zinc/33/87/49/885338749.db2.gz UFXRPQJFBXMZAM-JTQLQIEISA-N -1 3 391.786 3.955 20 0 GHADHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919327420 885340394 /nfs/dbraw/zinc/34/03/94/885340394.db2.gz YSYKTWJRYHUFCR-GFCCVEGCSA-N -1 3 385.445 3.884 20 0 GHADHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919327420 885340415 /nfs/dbraw/zinc/34/04/15/885340415.db2.gz YSYKTWJRYHUFCR-GFCCVEGCSA-N -1 3 385.445 3.884 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2sc(N3CCCC3)nc2s1 ZINC000476391392 885479839 /nfs/dbraw/zinc/47/98/39/885479839.db2.gz QTPKLCNOPYZYMD-UHFFFAOYSA-N -1 3 377.466 3.733 20 0 GHADHM Cc1nc(-c2ccccn2)sc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000108010620 885555611 /nfs/dbraw/zinc/55/56/11/885555611.db2.gz RWHXZKWJDPHLHT-UHFFFAOYSA-N -1 3 380.458 3.679 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(F)cc1F ZINC000460418607 885565285 /nfs/dbraw/zinc/56/52/85/885565285.db2.gz HAECUINDMGRRAD-UHFFFAOYSA-N -1 3 383.416 3.850 20 0 GHADHM CC(C)(C)NC(=O)CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171047763 885696741 /nfs/dbraw/zinc/69/67/41/885696741.db2.gz ORTIQHAUIIMHHY-UHFFFAOYSA-N -1 3 391.518 3.783 20 0 GHADHM Cc1cc2nc(C)cc(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)n2n1 ZINC000919532889 885862051 /nfs/dbraw/zinc/86/20/51/885862051.db2.gz ZLIBMVXUZPEQFN-NSHDSACASA-N -1 3 397.460 3.591 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000915198758 885998002 /nfs/dbraw/zinc/99/80/02/885998002.db2.gz NSJQAMXGHFWWSL-NSHDSACASA-N -1 3 399.285 3.740 20 0 GHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(-n4cccn4)cc3)cc2)co1 ZINC000117228141 886043382 /nfs/dbraw/zinc/04/33/82/886043382.db2.gz WYHAOJHUTJCYFZ-UHFFFAOYSA-N -1 3 380.429 3.637 20 0 GHADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cn(Cc3cccs3)nn2)n1 ZINC000131453401 886100258 /nfs/dbraw/zinc/10/02/58/886100258.db2.gz ORUSQLYTZYECSN-UHFFFAOYSA-N -1 3 388.503 3.529 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1OC ZINC000117761363 886110667 /nfs/dbraw/zinc/11/06/67/886110667.db2.gz PWFZCYVAJYOPLY-UHFFFAOYSA-N -1 3 392.408 3.594 20 0 GHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3cn(C)c4ccccc34)nc(=O)c2c1C ZINC000064258234 886126910 /nfs/dbraw/zinc/12/69/10/886126910.db2.gz TVPREFULHPVSNY-GFCCVEGCSA-N -1 3 395.484 3.940 20 0 GHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2Oc2c(C)cccc2C)c(=O)[n-]1 ZINC000056209321 886188642 /nfs/dbraw/zinc/18/86/42/886188642.db2.gz UQUNQDIPRGKUJQ-UHFFFAOYSA-N -1 3 377.444 3.977 20 0 GHADHM CCC(CC)CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000915283020 886226965 /nfs/dbraw/zinc/22/69/65/886226965.db2.gz ALXHHHWKNLASFM-UHFFFAOYSA-N -1 3 386.533 3.801 20 0 GHADHM O=S(=O)([N-][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(Cl)ccc1Cl ZINC000762520647 886327640 /nfs/dbraw/zinc/32/76/40/886327640.db2.gz FOZIXSLMUKGWCX-NQBHXWOUSA-N -1 3 384.375 3.651 20 0 GHADHM O=c1[n-]c(CN2CCCN(c3ccccc3F)CC2)nc2c3ccccc3oc21 ZINC000556855003 886369342 /nfs/dbraw/zinc/36/93/42/886369342.db2.gz PDFLGFKTXCETTJ-UHFFFAOYSA-N -1 3 392.434 3.933 20 0 GHADHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119188502 886465201 /nfs/dbraw/zinc/46/52/01/886465201.db2.gz MSUYTQOOALAQJU-NSHDSACASA-N -1 3 392.381 3.916 20 0 GHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000057123677 886472298 /nfs/dbraw/zinc/47/22/98/886472298.db2.gz VFAZKMSMWKIXDP-CQSZACIVSA-N -1 3 388.489 3.574 20 0 GHADHM CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1Cl ZINC000057043567 886492121 /nfs/dbraw/zinc/49/21/21/886492121.db2.gz KNSIWOICYQFKKE-MRXNPFEDSA-N -1 3 388.851 3.688 20 0 GHADHM CCOC(=O)c1ccc2c(c1)nc(COC(=O)c1cc3occc3[n-]1)n2CC ZINC000808544933 886499497 /nfs/dbraw/zinc/49/94/97/886499497.db2.gz YUDDCTKLXTXIFP-UHFFFAOYSA-N -1 3 381.388 3.664 20 0 GHADHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001184218582 913078895 /nfs/dbraw/zinc/07/88/95/913078895.db2.gz JTMBIJJGEWVVFH-JYJNAYRXSA-N -1 3 380.529 3.881 20 0 GHADHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001184218582 913078902 /nfs/dbraw/zinc/07/89/02/913078902.db2.gz JTMBIJJGEWVVFH-JYJNAYRXSA-N -1 3 380.529 3.881 20 0 GHADHM O=C(CCOc1ccccc1)[N-]OCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000762747270 886790307 /nfs/dbraw/zinc/79/03/07/886790307.db2.gz LNHOWLWUDQRNBP-HSZRJFAPSA-N -1 3 396.487 3.551 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1COc2ccccc2O1)c1cccc(Cl)c1Cl ZINC001212204963 886796572 /nfs/dbraw/zinc/79/65/72/886796572.db2.gz ICSSVIGFHIFCGH-LLVKDONJSA-N -1 3 388.272 3.502 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001131495346 886893738 /nfs/dbraw/zinc/89/37/38/886893738.db2.gz YUAAIYOGKWCWQW-UHFFFAOYSA-N -1 3 389.864 3.765 20 0 GHADHM Cc1ccc(C)c(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001131495346 886893749 /nfs/dbraw/zinc/89/37/49/886893749.db2.gz YUAAIYOGKWCWQW-UHFFFAOYSA-N -1 3 389.864 3.765 20 0 GHADHM Cc1nc(C)c(CC(=O)Oc2cccc(-c3nc(C(C)(C)C)cs3)c2)c(=O)[n-]1 ZINC000119432275 887060712 /nfs/dbraw/zinc/06/07/12/887060712.db2.gz AETMKKMAXICZNF-UHFFFAOYSA-N -1 3 397.500 3.956 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1 ZINC000863423536 887095732 /nfs/dbraw/zinc/09/57/32/887095732.db2.gz ZBGHDSQCLRNANM-UHFFFAOYSA-N -1 3 392.477 3.867 20 0 GHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)c(C)c1 ZINC000863428357 887100336 /nfs/dbraw/zinc/10/03/36/887100336.db2.gz ZYWJPRGPYGGKSP-ZDUSSCGKSA-N -1 3 388.489 3.665 20 0 GHADHM O=C(COC(=O)Cc1coc2ccc3ccccc3c12)[N-]C(=O)c1cccs1 ZINC000032864639 887352867 /nfs/dbraw/zinc/35/28/67/887352867.db2.gz PLPJLLIJGCOZNN-UHFFFAOYSA-N -1 3 393.420 3.690 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cn4cccn4)o3)c2)n1 ZINC000915744433 887383693 /nfs/dbraw/zinc/38/36/93/887383693.db2.gz GQHRZZGSDOVBLU-UHFFFAOYSA-N -1 3 389.415 3.502 20 0 GHADHM O=c1cc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc(C2CC2)[n-]1 ZINC000459330703 887395734 /nfs/dbraw/zinc/39/57/34/887395734.db2.gz UFVXOVAVGBDSEN-INIZCTEOSA-N -1 3 380.275 3.940 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131707324 887439435 /nfs/dbraw/zinc/43/94/35/887439435.db2.gz CTRDFGTYNPIKDD-SMDDNHRTSA-N -1 3 395.912 3.907 20 0 GHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131707324 887439447 /nfs/dbraw/zinc/43/94/47/887439447.db2.gz CTRDFGTYNPIKDD-SMDDNHRTSA-N -1 3 395.912 3.907 20 0 GHADHM COC(=O)c1cc(Br)ccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000747568527 887711544 /nfs/dbraw/zinc/71/15/44/887711544.db2.gz VYLJWOWOVXSXIP-UHFFFAOYSA-N -1 3 380.219 3.998 20 0 GHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000041116594 887727999 /nfs/dbraw/zinc/72/79/99/887727999.db2.gz VDFQCVLDHQVNDU-UHFFFAOYSA-N -1 3 386.517 3.605 20 0 GHADHM Cc1cc([C@H](NCc2ccc(C(=O)N3CCCC3)cc2)C(=O)[O-])ccc1Cl ZINC000864508226 887814068 /nfs/dbraw/zinc/81/40/68/887814068.db2.gz WXDDDZDCIHXXSF-IBGZPJMESA-N -1 3 386.879 3.800 20 0 GHADHM Cc1ccnc(CN[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)c1Br ZINC000864513849 887818857 /nfs/dbraw/zinc/81/88/57/887818857.db2.gz JYIXZSOGKKFXLS-QGZVFWFLSA-N -1 3 381.314 3.912 20 0 GHADHM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCC[N-]C(=O)C(F)(F)F ZINC000794802750 888096138 /nfs/dbraw/zinc/09/61/38/888096138.db2.gz MJJPKNQLYPJLBS-SMDDNHRTSA-N -1 3 398.347 3.536 20 0 GHADHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccc(F)c4)cc3)ccc2N1 ZINC000194222934 888125368 /nfs/dbraw/zinc/12/53/68/888125368.db2.gz BNGLEDMHBKHDGP-UHFFFAOYSA-N -1 3 398.415 3.913 20 0 GHADHM Cc1cc(=O)[n-]c(CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000763213446 888320457 /nfs/dbraw/zinc/32/04/57/888320457.db2.gz RPBGUUNBFLBCCV-UHFFFAOYSA-N -1 3 386.304 3.689 20 0 GHADHM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000810414356 888480288 /nfs/dbraw/zinc/48/02/88/888480288.db2.gz QMVLVXWMLHURSG-XHDPSFHLSA-N -1 3 398.887 3.536 20 0 GHADHM Cc1ncc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])cc2)o1 ZINC000194044286 888550049 /nfs/dbraw/zinc/55/00/49/888550049.db2.gz HZPUAYBABALWLL-GOSISDBHSA-N -1 3 391.427 3.599 20 0 GHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c2cccnc12 ZINC000532764461 888904791 /nfs/dbraw/zinc/90/47/91/888904791.db2.gz ARKADDGJQCIZCW-UHFFFAOYSA-N -1 3 385.489 3.727 20 0 GHADHM CC(C)(CCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000810899418 889007633 /nfs/dbraw/zinc/00/76/33/889007633.db2.gz JUCHTNNBYAISNT-OAHLLOKOSA-N -1 3 384.442 3.662 20 0 GHADHM CC/C(=C/C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(C)cc1 ZINC000810905164 889013311 /nfs/dbraw/zinc/01/33/11/889013311.db2.gz OGAVCUXNBRHDTI-DFSFMLJYSA-N -1 3 382.426 3.706 20 0 GHADHM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1cccc(C2CC2)c1 ZINC001211978160 889052504 /nfs/dbraw/zinc/05/25/04/889052504.db2.gz BEIFLRPEAYIESM-LFPIHBKWSA-N -1 3 384.567 3.890 20 0 GHADHM CC(=O)c1ccccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000154011641 889059780 /nfs/dbraw/zinc/05/97/80/889059780.db2.gz JDKLVIXGEDVLMS-QGZVFWFLSA-N -1 3 386.879 3.643 20 0 GHADHM CC(C)CN1C(=O)C[C@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321881 913338236 /nfs/dbraw/zinc/33/82/36/913338236.db2.gz KXVFHQZRHQAWFM-IBGZPJMESA-N -1 3 399.318 3.696 20 0 GHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000123693637 889369468 /nfs/dbraw/zinc/36/94/68/889369468.db2.gz NPPSBKCCVGPELD-UHFFFAOYSA-N -1 3 381.759 3.890 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)c1nccs1 ZINC000124145611 889522815 /nfs/dbraw/zinc/52/28/15/889522815.db2.gz JUGZIVCMQGXSJW-QMMMGPOBSA-N -1 3 381.342 3.705 20 0 GHADHM O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCc2c(=O)[n-]cnc21 ZINC001132783268 889528770 /nfs/dbraw/zinc/52/87/70/889528770.db2.gz CRHAUQQJEGMHHR-UHFFFAOYSA-N -1 3 378.866 3.614 20 0 GHADHM COc1ccccc1CN(C)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394568 889535847 /nfs/dbraw/zinc/53/58/47/889535847.db2.gz FNLFPAYPMXCVTN-UHFFFAOYSA-N -1 3 392.864 3.707 20 0 GHADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000122275728 889565367 /nfs/dbraw/zinc/56/53/67/889565367.db2.gz OTCXOKSLBUDHPP-UHFFFAOYSA-N -1 3 388.489 3.792 20 0 GHADHM COC(=O)c1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000811422638 889587451 /nfs/dbraw/zinc/58/74/51/889587451.db2.gz RNRPEHOEPPNEMA-UHFFFAOYSA-N -1 3 396.790 3.910 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c([O-])c1 ZINC000124828572 889780102 /nfs/dbraw/zinc/78/01/02/889780102.db2.gz PEJDQEYOHYOYQD-UHFFFAOYSA-N -1 3 380.366 3.808 20 0 GHADHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125284358 889937338 /nfs/dbraw/zinc/93/73/38/889937338.db2.gz AHLKJJOLVBKHIU-UHFFFAOYSA-N -1 3 398.406 3.776 20 0 GHADHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125346014 889960471 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3.609 20 0 GHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000811978254 890193599 /nfs/dbraw/zinc/19/35/99/890193599.db2.gz NHNUJHYRHPXOHI-AWEZNQCLSA-N -1 3 385.439 3.609 20 0 GHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(C)cc3Br)nc21 ZINC001127418763 890214686 /nfs/dbraw/zinc/21/46/86/890214686.db2.gz LCVDVWYVGFEHBT-UHFFFAOYSA-N -1 3 394.250 3.734 20 0 GHADHM Cc1c2cc(F)ccc2sc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000065054714 890251439 /nfs/dbraw/zinc/25/14/39/890251439.db2.gz VCBVFQNFZZRWOU-UHFFFAOYSA-N -1 3 398.459 3.653 20 0 GHADHM CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126141638 890381518 /nfs/dbraw/zinc/38/15/18/890381518.db2.gz MAVAXJJXHWZALK-CQSZACIVSA-N -1 3 385.302 3.645 20 0 GHADHM CC(C)C1CCC(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000812175939 890385365 /nfs/dbraw/zinc/38/53/65/890385365.db2.gz XXEMAQAHQVICEQ-PCKAHOCUSA-N -1 3 391.478 3.549 20 0 GHADHM Cc1ccccc1OCCN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126188255 890409243 /nfs/dbraw/zinc/40/92/43/890409243.db2.gz SXPZFKXGXPMBDD-UHFFFAOYSA-N -1 3 393.281 3.684 20 0 GHADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(O)cc1 ZINC000018272453 890424966 /nfs/dbraw/zinc/42/49/66/890424966.db2.gz NQHCNVKGQCQXHL-UHFFFAOYSA-N -1 3 376.438 3.857 20 0 GHADHM CN(C)C(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126571735 890595990 /nfs/dbraw/zinc/59/59/90/890595990.db2.gz VCONFTVPOWGXSY-UHFFFAOYSA-N -1 3 378.226 3.501 20 0 GHADHM O=S(=O)([N-]c1c(Br)ncc2ccccc21)c1cccnc1Cl ZINC001184835105 913471706 /nfs/dbraw/zinc/47/17/06/913471706.db2.gz SHXVWRJTSCHUKT-UHFFFAOYSA-N -1 3 398.669 3.847 20 0 GHADHM O=C(NCc1ccccc1)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000065749238 890631457 /nfs/dbraw/zinc/63/14/57/890631457.db2.gz BGQXWQJYBIAEAZ-UHFFFAOYSA-N -1 3 397.434 3.710 20 0 GHADHM O=C(CCc1cccs1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314521 890746451 /nfs/dbraw/zinc/74/64/51/890746451.db2.gz NEXIAJITYNLINY-ZDUSSCGKSA-N -1 3 396.434 3.880 20 0 GHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)ccc1OC(F)F ZINC000871883051 891072663 /nfs/dbraw/zinc/07/26/63/891072663.db2.gz ASFSXCLLYYFXNZ-KRWDZBQOSA-N -1 3 381.375 3.611 20 0 GHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2C)cc(OC)c1OCC(F)F ZINC000871883168 891073130 /nfs/dbraw/zinc/07/31/30/891073130.db2.gz DZPJNAGEUCMHDU-SFHVURJKSA-N -1 3 395.402 3.572 20 0 GHADHM O=C([N-]C[C@H]1CCCN(C(=O)N[C@@H]2CCCCC23CCCC3)C1)C(F)(F)F ZINC000812930741 891136191 /nfs/dbraw/zinc/13/61/91/891136191.db2.gz UXCTXUXGTKTSNK-HUUCEWRRSA-N -1 3 389.462 3.590 20 0 GHADHM Cc1cc(Br)oc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000068225037 891172253 /nfs/dbraw/zinc/17/22/53/891172253.db2.gz AJRHXZOGDXSQEL-UHFFFAOYSA-N -1 3 388.221 3.662 20 0 GHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cc(F)c(F)cc1F ZINC000105590803 891252758 /nfs/dbraw/zinc/25/27/58/891252758.db2.gz UJUUWULKHIEHBM-UHFFFAOYSA-N -1 3 384.148 3.806 20 0 GHADHM O=S(=O)([N-]Cc1cc(F)cnc1Cl)c1c2ncsc2ccc1Cl ZINC001212021026 891331719 /nfs/dbraw/zinc/33/17/19/891331719.db2.gz HRLABUWBRMAYCT-UHFFFAOYSA-N -1 3 392.264 3.616 20 0 GHADHM CCOc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000825638486 891390456 /nfs/dbraw/zinc/39/04/56/891390456.db2.gz LRIWGUHONDTUJO-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM CCOc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000825638486 891390475 /nfs/dbraw/zinc/39/04/75/891390475.db2.gz LRIWGUHONDTUJO-UHFFFAOYSA-N -1 3 395.854 3.717 20 0 GHADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c3ccccc32)c1 ZINC001212040495 891391800 /nfs/dbraw/zinc/39/18/00/891391800.db2.gz TXKQAOLABUPUNH-LLVKDONJSA-N -1 3 393.461 3.867 20 0 GHADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1)C(C)C ZINC000747843682 891442575 /nfs/dbraw/zinc/44/25/75/891442575.db2.gz DAJQDKARCSYBHS-UHFFFAOYSA-N -1 3 376.478 3.509 20 0 GHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncnc3c2CCCC3)CC1 ZINC000152018585 891617671 /nfs/dbraw/zinc/61/76/71/891617671.db2.gz BJLAIXWRZFWXCX-UHFFFAOYSA-N -1 3 386.883 3.570 20 0 GHADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873646267 891724440 /nfs/dbraw/zinc/72/44/40/891724440.db2.gz ZRXKCWVCCYXNNE-FRRDWIJNSA-N -1 3 382.291 3.978 20 0 GHADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2Cl)CC1 ZINC000497531739 891827449 /nfs/dbraw/zinc/82/74/49/891827449.db2.gz BFOVKTFHYNXQOL-UHFFFAOYSA-N -1 3 393.940 3.591 20 0 GHADHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(Cc3cccc(Cl)c3)s2)o1 ZINC000497559441 891866758 /nfs/dbraw/zinc/86/67/58/891866758.db2.gz HQSIECOTFLYEKA-UHFFFAOYSA-N -1 3 396.877 3.636 20 0 GHADHM O=S(=O)([N-]C[C@H]1CCCCC(F)(F)C1)c1c(Cl)nc2sccn21 ZINC000813712718 891889588 /nfs/dbraw/zinc/88/95/88/891889588.db2.gz KNEAXPJTDDEMFF-VIFPVBQESA-N -1 3 383.873 3.543 20 0 GHADHM Cc1cccc(-c2noc([C@@H](N)CCc3cc(=O)oc4cc([O-])ccc34)n2)c1F ZINC001212098116 891971080 /nfs/dbraw/zinc/97/10/80/891971080.db2.gz YWIARTWZINCHEZ-INIZCTEOSA-N -1 3 395.390 3.629 20 0 GHADHM Cc1cc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)nn1-c1ccc(C)cc1 ZINC001202539237 892018284 /nfs/dbraw/zinc/01/82/84/892018284.db2.gz WHDWCWHSABYBNG-LLVKDONJSA-N -1 3 393.373 3.509 20 0 GHADHM COc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc(OC)c1[O-] ZINC000162203990 892095288 /nfs/dbraw/zinc/09/52/88/892095288.db2.gz OINFAPSNGPYHRV-UHFFFAOYSA-N -1 3 392.455 3.955 20 0 GHADHM Cc1nnc(SCC(=O)Nc2cccc([O-])c2F)n1-c1cc(C)ccc1C ZINC000128721970 892325776 /nfs/dbraw/zinc/32/57/76/892325776.db2.gz ABBZUCYAZBNCPA-UHFFFAOYSA-N -1 3 386.452 3.768 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2ccccc2)CCCCC1 ZINC000917651341 892344365 /nfs/dbraw/zinc/34/43/65/892344365.db2.gz FSPZVDQHDYYLHH-UHFFFAOYSA-N -1 3 381.929 3.562 20 0 GHADHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000917716381 892420608 /nfs/dbraw/zinc/42/06/08/892420608.db2.gz LKZRTQVEZBXYPD-UHFFFAOYSA-N -1 3 385.441 3.583 20 0 GHADHM CCCOCc1ccccc1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000068667998 892535321 /nfs/dbraw/zinc/53/53/21/892535321.db2.gz HDKHIHKOTMGXQQ-UHFFFAOYSA-N -1 3 378.476 3.933 20 0 GHADHM Cc1ccc(Cn2cc(CN3CC(C(=O)[O-])C3)c(-c3ccc(C)cc3)n2)cc1 ZINC000263461904 892565557 /nfs/dbraw/zinc/56/55/57/892565557.db2.gz BWYREXGHACHYJR-UHFFFAOYSA-N -1 3 375.472 3.732 20 0 GHADHM Cc1cc(Br)cn2c(CN3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cnc12 ZINC000263512343 892582759 /nfs/dbraw/zinc/58/27/59/892582759.db2.gz NTGCACUDSYRQON-RCBQFDQVSA-N -1 3 392.297 3.623 20 0 GHADHM Cc1cc(C)cc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000917830081 892665630 /nfs/dbraw/zinc/66/56/30/892665630.db2.gz KGQVLPMVDVMZRF-UHFFFAOYSA-N -1 3 392.496 3.796 20 0 GHADHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000154546795 892679615 /nfs/dbraw/zinc/67/96/15/892679615.db2.gz AGSYQBYGZDEHGQ-LBPRGKRZSA-N -1 3 384.860 3.505 20 0 GHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cccc(Br)c1F ZINC001185134469 913689535 /nfs/dbraw/zinc/68/95/35/913689535.db2.gz YJDJAMYRNVAQCG-UHFFFAOYSA-N -1 3 380.185 3.808 20 0 GHADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)cc1 ZINC000497948861 892823685 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Cc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000563178617 893440179 /nfs/dbraw/zinc/44/01/79/893440179.db2.gz ISXDPLVYEBYRIC-HSZRJFAPSA-N -1 3 387.483 3.906 20 0 GHADHM O=C(Nc1cccc([O-])c1F)c1ccc(-n2cc(Br)cn2)cc1 ZINC000129489065 893494283 /nfs/dbraw/zinc/49/42/83/893494283.db2.gz LUTBNYMJEPRQED-UHFFFAOYSA-N -1 3 376.185 3.732 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000825957598 893564837 /nfs/dbraw/zinc/56/48/37/893564837.db2.gz DVZGJCQEIMRYBJ-HXUWFJFHSA-N -1 3 390.491 3.940 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000825957598 893564858 /nfs/dbraw/zinc/56/48/58/893564858.db2.gz DVZGJCQEIMRYBJ-HXUWFJFHSA-N -1 3 390.491 3.940 20 0 GHADHM CC(C)[C@H](NCc1cccc([O-])c1Br)c1nnc2ccccn21 ZINC000459470389 893607481 /nfs/dbraw/zinc/60/74/81/893607481.db2.gz UHGSPSORWPISJJ-INIZCTEOSA-N -1 3 375.270 3.684 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Br)c1ccsc1 ZINC001185351161 913805359 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CC(C)(O)COc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001137156751 895727029 /nfs/dbraw/zinc/72/70/29/895727029.db2.gz VJYPLPTUDVARDW-UHFFFAOYSA-N -1 3 386.835 3.584 20 0 GHADHM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCCN(Cc4ccccc4)C3)c12 ZINC000565604370 895755702 /nfs/dbraw/zinc/75/57/02/895755702.db2.gz UYMQLVAOHSLIOX-INIZCTEOSA-N -1 3 396.516 3.505 20 0 GHADHM O=C(Nc1cncc([O-])c1)c1cnn(-c2cccc3ncccc32)c1C(F)(F)F ZINC001185643026 914005823 /nfs/dbraw/zinc/00/58/23/914005823.db2.gz UYVHDHPICHJAPG-UHFFFAOYSA-N -1 3 399.332 3.792 20 0 GHADHM CC(=O)c1cccc(Br)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185687904 914020638 /nfs/dbraw/zinc/02/06/38/914020638.db2.gz YBYSIGYFGVKJAR-UHFFFAOYSA-N -1 3 389.658 3.501 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000565988010 896030974 /nfs/dbraw/zinc/03/09/74/896030974.db2.gz KNLZGAYNISTBIK-AWEZNQCLSA-N -1 3 389.249 3.536 20 0 GHADHM CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000289105245 914036618 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cncc(Br)c1C ZINC000888898295 896549074 /nfs/dbraw/zinc/54/90/74/896549074.db2.gz YWTLAMQFGJSREZ-UHFFFAOYSA-N -1 3 379.258 3.506 20 0 GHADHM Cc1c(NC(=O)c2coc(-c3ccccc3Cl)n2)cccc1-c1nnn[n-]1 ZINC000826242339 896595819 /nfs/dbraw/zinc/59/58/19/896595819.db2.gz KTYWBCBBTNXBEC-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1c(NC(=O)c2coc(-c3ccccc3Cl)n2)cccc1-c1nn[n-]n1 ZINC000826242339 896595831 /nfs/dbraw/zinc/59/58/31/896595831.db2.gz KTYWBCBBTNXBEC-UHFFFAOYSA-N -1 3 380.795 3.736 20 0 GHADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)nn1C1CCCCC1 ZINC000826258001 896746428 /nfs/dbraw/zinc/74/64/28/896746428.db2.gz WJMYDEFNMWIMIH-UHFFFAOYSA-N -1 3 399.886 3.807 20 0 GHADHM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)nn1C1CCCCC1 ZINC000826258001 896746435 /nfs/dbraw/zinc/74/64/35/896746435.db2.gz WJMYDEFNMWIMIH-UHFFFAOYSA-N -1 3 399.886 3.807 20 0 GHADHM Cc1cc(C)cc([C@H]2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264157 896749935 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GHADHM CCc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c2c(CC(C)(C)C)noc2n1 ZINC000567409344 897132464 /nfs/dbraw/zinc/13/24/64/897132464.db2.gz BSQOJATUXHOSME-INIZCTEOSA-N -1 3 397.479 3.623 20 0 GHADHM COc1cccc(S([O-])=CC(=O)OCCc2cccc(C(F)(F)F)c2)c1 ZINC000820042475 897133565 /nfs/dbraw/zinc/13/35/65/897133565.db2.gz IYLVJMZBPFBXIR-AREMUKBSSA-N -1 3 386.391 3.608 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001136301698 897151294 /nfs/dbraw/zinc/15/12/94/897151294.db2.gz LBOLVMQQXWTLRU-UHFFFAOYSA-N -1 3 384.260 3.799 20 0 GHADHM CC[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)Oc1cccc(F)c1 ZINC001137182681 897159489 /nfs/dbraw/zinc/15/94/89/897159489.db2.gz ZKRIMHSOSYRTBT-CYBMUJFWSA-N -1 3 388.826 3.908 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340484 897280804 /nfs/dbraw/zinc/28/08/04/897280804.db2.gz LKDWBVULFFMDNJ-KXBFYZLASA-N -1 3 378.480 3.966 20 0 GHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340484 897280817 /nfs/dbraw/zinc/28/08/17/897280817.db2.gz LKDWBVULFFMDNJ-KXBFYZLASA-N -1 3 378.480 3.966 20 0 GHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCOc1cc(C)cc(C)c1 ZINC001185860552 914150822 /nfs/dbraw/zinc/15/08/22/914150822.db2.gz DTOFBADHBRNYPN-UHFFFAOYSA-N -1 3 377.437 3.854 20 0 GHADHM CC(=O)c1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1[O-] ZINC001136374626 897512045 /nfs/dbraw/zinc/51/20/45/897512045.db2.gz JXLHDLACLMKPJV-UHFFFAOYSA-N -1 3 380.375 3.851 20 0 GHADHM COc1ccc(-n2c(CN(C[C@@H](C)C(=O)[O-])C3CC3)nc3ccccc32)cc1 ZINC000568073148 897571018 /nfs/dbraw/zinc/57/10/18/897571018.db2.gz VWSACCHADVTPCW-OAHLLOKOSA-N -1 3 379.460 3.719 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(-c2ccccc2)s1 ZINC000826323975 897599770 /nfs/dbraw/zinc/59/97/70/897599770.db2.gz ZUWXNFXFNJIUSD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(-c2ccccc2)s1 ZINC000826323975 897599781 /nfs/dbraw/zinc/59/97/81/897599781.db2.gz ZUWXNFXFNJIUSD-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826323600 897603542 /nfs/dbraw/zinc/60/35/42/897603542.db2.gz KFIQIDHGHMCCOW-ZDUSSCGKSA-N -1 3 385.493 3.992 20 0 GHADHM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826323600 897603548 /nfs/dbraw/zinc/60/35/48/897603548.db2.gz KFIQIDHGHMCCOW-ZDUSSCGKSA-N -1 3 385.493 3.992 20 0 GHADHM Cc1nc(C2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)sc1C ZINC000826325492 897630986 /nfs/dbraw/zinc/63/09/86/897630986.db2.gz ZNLRZJILOLBWQS-UHFFFAOYSA-N -1 3 389.916 3.681 20 0 GHADHM Cc1nc(C2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)sc1C ZINC000826325492 897631000 /nfs/dbraw/zinc/63/10/00/897631000.db2.gz ZNLRZJILOLBWQS-UHFFFAOYSA-N -1 3 389.916 3.681 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821001943 897662391 /nfs/dbraw/zinc/66/23/91/897662391.db2.gz UCJLQZQBPHIGBR-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM CC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821001943 897662398 /nfs/dbraw/zinc/66/23/98/897662398.db2.gz UCJLQZQBPHIGBR-IFXJQAMLSA-N -1 3 376.464 3.647 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821048985 897666992 /nfs/dbraw/zinc/66/69/92/897666992.db2.gz IDAHGGQDVYWGCE-KRWDZBQOSA-N -1 3 395.463 3.929 20 0 GHADHM CCCCC[C@H](O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821048985 897666995 /nfs/dbraw/zinc/66/69/95/897666995.db2.gz IDAHGGQDVYWGCE-KRWDZBQOSA-N -1 3 395.463 3.929 20 0 GHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)c1 ZINC000821124166 897725759 /nfs/dbraw/zinc/72/57/59/897725759.db2.gz PDVRJNJYZJHFSO-UHFFFAOYSA-N -1 3 388.247 3.848 20 0 GHADHM CC(=O)c1ncccc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185929257 914207911 /nfs/dbraw/zinc/20/79/11/914207911.db2.gz AZQCOHDZIYFWSA-UHFFFAOYSA-N -1 3 397.475 3.699 20 0 GHADHM Cc1cc(C)c(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000822194286 898250740 /nfs/dbraw/zinc/25/07/40/898250740.db2.gz QJOMTLIQZSMRFN-UHFFFAOYSA-N -1 3 391.262 3.841 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)cc1F ZINC000822202072 898252924 /nfs/dbraw/zinc/25/29/24/898252924.db2.gz JRDWKOFTCMADJW-QMMMGPOBSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1F ZINC000822202072 898252940 /nfs/dbraw/zinc/25/29/40/898252940.db2.gz JRDWKOFTCMADJW-QMMMGPOBSA-N -1 3 389.431 3.892 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822352140 898343342 /nfs/dbraw/zinc/34/33/42/898343342.db2.gz UXSGZHWMADZYGM-KUHUBIRLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822352140 898343352 /nfs/dbraw/zinc/34/33/52/898343352.db2.gz UXSGZHWMADZYGM-KUHUBIRLSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)n1 ZINC000822410178 898358926 /nfs/dbraw/zinc/35/89/26/898358926.db2.gz YQSFCQXSFINEES-CQSZACIVSA-N -1 3 377.477 3.564 20 0 GHADHM Cc1csc([C@@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)n1 ZINC000822410178 898358939 /nfs/dbraw/zinc/35/89/39/898358939.db2.gz YQSFCQXSFINEES-CQSZACIVSA-N -1 3 377.477 3.564 20 0 GHADHM Fc1cc(N[C@H]2CCCSC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826372947 898410732 /nfs/dbraw/zinc/41/07/32/898410732.db2.gz SVODAOIABVQLKY-INIZCTEOSA-N -1 3 385.468 3.892 20 0 GHADHM Fc1cc(N[C@H]2CCCSC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826372947 898410741 /nfs/dbraw/zinc/41/07/41/898410741.db2.gz SVODAOIABVQLKY-INIZCTEOSA-N -1 3 385.468 3.892 20 0 GHADHM FC(F)CN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822732007 898596236 /nfs/dbraw/zinc/59/62/36/898596236.db2.gz HIBIKHVJSHRDRR-UHFFFAOYSA-N -1 3 384.312 3.552 20 0 GHADHM FC(F)CN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822732007 898596245 /nfs/dbraw/zinc/59/62/45/898596245.db2.gz HIBIKHVJSHRDRR-UHFFFAOYSA-N -1 3 384.312 3.552 20 0 GHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC(Nc2ccccc2)CC1 ZINC001136690220 898914152 /nfs/dbraw/zinc/91/41/52/898914152.db2.gz GAWBLNWAQUCYQU-UHFFFAOYSA-N -1 3 383.398 3.523 20 0 GHADHM CC[C@@H](c1ccccc1)N(CCCS(=O)(=O)c1ccc(C)cc1)CC(=O)[O-] ZINC000569869448 898996514 /nfs/dbraw/zinc/99/65/14/898996514.db2.gz WJRSYQKLKKAFQW-FQEVSTJZSA-N -1 3 389.517 3.697 20 0 GHADHM O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1cc(C2CC2)on1 ZINC000569881829 899004872 /nfs/dbraw/zinc/00/48/72/899004872.db2.gz BWJNKROOZVISJZ-UHFFFAOYSA-N -1 3 391.200 3.518 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823467626 899044895 /nfs/dbraw/zinc/04/48/95/899044895.db2.gz ZMWNGYRDLFTNNH-UHFFFAOYSA-N -1 3 396.451 3.568 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823467626 899044910 /nfs/dbraw/zinc/04/49/10/899044910.db2.gz ZMWNGYRDLFTNNH-UHFFFAOYSA-N -1 3 396.451 3.568 20 0 GHADHM C[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646198453 914317807 /nfs/dbraw/zinc/31/78/07/914317807.db2.gz INVRQUKVUSRJOB-QWRGUYRKSA-N -1 3 387.823 3.580 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)[n-]n1 ZINC000823627783 899143273 /nfs/dbraw/zinc/14/32/73/899143273.db2.gz PSQDLPFNSDHSCA-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[n-]1 ZINC000823627783 899143276 /nfs/dbraw/zinc/14/32/76/899143276.db2.gz PSQDLPFNSDHSCA-UHFFFAOYSA-N -1 3 390.749 3.685 20 0 GHADHM C[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202330 914319341 /nfs/dbraw/zinc/31/93/41/914319341.db2.gz PMFMHNUXKHAWCU-JYJNAYRXSA-N -1 3 391.471 3.823 20 0 GHADHM COC(=O)[C@@H](C)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000115195004 899168290 /nfs/dbraw/zinc/16/82/90/899168290.db2.gz MACDXSZQGKZKQA-VHSXEESVSA-N -1 3 378.475 3.848 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000824025136 899348977 /nfs/dbraw/zinc/34/89/77/899348977.db2.gz VRBUITYHMQCZTK-JTQLQIEISA-N -1 3 384.827 3.605 20 0 GHADHM CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000824025136 899348989 /nfs/dbraw/zinc/34/89/89/899348989.db2.gz VRBUITYHMQCZTK-JTQLQIEISA-N -1 3 384.827 3.605 20 0 GHADHM CC(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)=C1CCCC1 ZINC000824045032 899359351 /nfs/dbraw/zinc/35/93/51/899359351.db2.gz DRKRISHNMWJCEG-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM CC(C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)=C1CCCC1 ZINC000824045032 899359367 /nfs/dbraw/zinc/35/93/67/899359367.db2.gz DRKRISHNMWJCEG-UHFFFAOYSA-N -1 3 383.843 3.535 20 0 GHADHM O=C(NCCC[C@H]1CC1(Cl)Cl)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000824075424 899381799 /nfs/dbraw/zinc/38/17/99/899381799.db2.gz QUVNFWYUSMLMJV-QMMMGPOBSA-N -1 3 375.202 3.510 20 0 GHADHM CC(C)(C)Sc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccn1 ZINC000824124181 899395478 /nfs/dbraw/zinc/39/54/78/899395478.db2.gz PFMZRMHNTYDZQP-UHFFFAOYSA-N -1 3 394.504 3.571 20 0 GHADHM CC(C)(C)Sc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccn1 ZINC000824124181 899395491 /nfs/dbraw/zinc/39/54/91/899395491.db2.gz PFMZRMHNTYDZQP-UHFFFAOYSA-N -1 3 394.504 3.571 20 0 GHADHM CC(C)[C@@H]1CCN1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824223409 899466017 /nfs/dbraw/zinc/46/60/17/899466017.db2.gz IGEUQGWCBYDGLQ-HNNXBMFYSA-N -1 3 382.493 3.535 20 0 GHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCOc1cc(C)ccc1C)CC2 ZINC000570688990 899508110 /nfs/dbraw/zinc/50/81/10/899508110.db2.gz GCHUOVOYAFYPDJ-LJQANCHMSA-N -1 3 399.487 3.774 20 0 GHADHM CC(C)OCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824314486 899522124 /nfs/dbraw/zinc/52/21/24/899522124.db2.gz BNLYNQUOLFUBIK-UHFFFAOYSA-N -1 3 395.463 3.594 20 0 GHADHM CC(C)OCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824314486 899522132 /nfs/dbraw/zinc/52/21/32/899522132.db2.gz BNLYNQUOLFUBIK-UHFFFAOYSA-N -1 3 395.463 3.594 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000824329970 899558426 /nfs/dbraw/zinc/55/84/26/899558426.db2.gz ZKSHMAAXTDYJKP-LXZKKBNFSA-N -1 3 384.484 3.696 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000824329970 899558432 /nfs/dbraw/zinc/55/84/32/899558432.db2.gz ZKSHMAAXTDYJKP-LXZKKBNFSA-N -1 3 384.484 3.696 20 0 GHADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3nc4n(n3)CCCC4)cs2)cc1 ZINC000570776857 899581815 /nfs/dbraw/zinc/58/18/15/899581815.db2.gz XZVFNCMILSBCFO-UHFFFAOYSA-N -1 3 383.477 3.779 20 0 GHADHM C[C@H](NC(=O)C1(C)CCOCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471523 899617984 /nfs/dbraw/zinc/61/79/84/899617984.db2.gz REDLXPPIACKHTG-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@H](NC(=O)C1(C)CCOCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471523 899617991 /nfs/dbraw/zinc/61/79/91/899617991.db2.gz REDLXPPIACKHTG-HNNXBMFYSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480527 899626866 /nfs/dbraw/zinc/62/68/66/899626866.db2.gz XVYYMJMYOJHASD-CVEARBPZSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824480527 899626873 /nfs/dbraw/zinc/62/68/73/899626873.db2.gz XVYYMJMYOJHASD-CVEARBPZSA-N -1 3 391.475 3.528 20 0 GHADHM C[C@@H](NC(=O)N(C)C1CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824489448 899632396 /nfs/dbraw/zinc/63/23/96/899632396.db2.gz KXYJGSNUFZPZLB-CQSZACIVSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@@H](NC(=O)N(C)C1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824489448 899632401 /nfs/dbraw/zinc/63/24/01/899632401.db2.gz KXYJGSNUFZPZLB-CQSZACIVSA-N -1 3 376.464 3.789 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000824755918 899809023 /nfs/dbraw/zinc/80/90/23/899809023.db2.gz MVHODQXMVGGNGY-JTQLQIEISA-N -1 3 399.442 3.815 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000824755918 899809039 /nfs/dbraw/zinc/80/90/39/899809039.db2.gz MVHODQXMVGGNGY-JTQLQIEISA-N -1 3 399.442 3.815 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824907278 899873035 /nfs/dbraw/zinc/87/30/35/899873035.db2.gz HUIRBBSMHCXZJL-PBHICJAKSA-N -1 3 377.448 3.820 20 0 GHADHM C[C@@H]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824907278 899873039 /nfs/dbraw/zinc/87/30/39/899873039.db2.gz HUIRBBSMHCXZJL-PBHICJAKSA-N -1 3 377.448 3.820 20 0 GHADHM CC[C@@H](C)CCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825059606 899959042 /nfs/dbraw/zinc/95/90/42/899959042.db2.gz HNSWTLKLKOPJNE-MRXNPFEDSA-N -1 3 385.512 3.843 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825114627 899987454 /nfs/dbraw/zinc/98/74/54/899987454.db2.gz PDARIDXJASWVEY-UHFFFAOYSA-N -1 3 393.495 3.538 20 0 GHADHM CCC(CC)n1nc(C)cc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825114627 899987463 /nfs/dbraw/zinc/98/74/63/899987463.db2.gz PDARIDXJASWVEY-UHFFFAOYSA-N -1 3 393.495 3.538 20 0 GHADHM CCCCC[C@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825267983 900061125 /nfs/dbraw/zinc/06/11/25/900061125.db2.gz PIYKOWSKTFJUPG-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCCC[C@H](CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825267983 900061135 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CCCSCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825342195 900106037 /nfs/dbraw/zinc/10/60/37/900106037.db2.gz QRNMNJUSYMSYQS-CQSZACIVSA-N -1 3 381.505 3.854 20 0 GHADHM CCCSCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825342195 900106046 /nfs/dbraw/zinc/10/60/46/900106046.db2.gz QRNMNJUSYMSYQS-CQSZACIVSA-N -1 3 381.505 3.854 20 0 GHADHM CCCc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1-c1ccccc1 ZINC000825348456 900112128 /nfs/dbraw/zinc/11/21/28/900112128.db2.gz LLPCKJURROZSPY-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1-c1ccccc1 ZINC000825348456 900112136 /nfs/dbraw/zinc/11/21/36/900112136.db2.gz LLPCKJURROZSPY-UHFFFAOYSA-N -1 3 387.447 3.566 20 0 GHADHM CCCc1cnc(NC(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825348555 900112285 /nfs/dbraw/zinc/11/22/85/900112285.db2.gz PRZHWRMIYZMSSW-UHFFFAOYSA-N -1 3 385.497 3.720 20 0 GHADHM CCCc1cnc(NC(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825348555 900112297 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Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000573379980 900484646 /nfs/dbraw/zinc/48/46/46/900484646.db2.gz ZMFRUBNTRXEHEI-KRWDZBQOSA-N -1 3 393.940 3.594 20 0 GHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000844124717 900530695 /nfs/dbraw/zinc/53/06/95/900530695.db2.gz GQHZVYPQNYUQDL-AWEZNQCLSA-N -1 3 393.846 3.620 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1coc(-c2ccccc2Cl)n1 ZINC000826464747 900703562 /nfs/dbraw/zinc/70/35/62/900703562.db2.gz KUMUTEMCBZMMHX-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1coc(-c2ccccc2Cl)n1 ZINC000826464747 900703571 /nfs/dbraw/zinc/70/35/71/900703571.db2.gz KUMUTEMCBZMMHX-UHFFFAOYSA-N -1 3 381.779 3.532 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1coc(-c2ccccc2Cl)n1 ZINC000826465038 900703818 /nfs/dbraw/zinc/70/38/18/900703818.db2.gz WFPISLWJDFBJIM-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1coc(-c2ccccc2Cl)n1 ZINC000826465038 900703828 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399.491 3.792 20 0 GHADHM O=C(C[N-]C(=O)C(F)(F)c1ccc(Br)cc1)OC1CCCCC1 ZINC001137230662 901320187 /nfs/dbraw/zinc/32/01/87/901320187.db2.gz DUXZFNBDZTWWOM-UHFFFAOYSA-N -1 3 390.224 3.533 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)sc1Cl ZINC000576149860 901727785 /nfs/dbraw/zinc/72/77/85/901727785.db2.gz RGVVWHDAYVTQLF-LBPRGKRZSA-N -1 3 379.956 3.810 20 0 GHADHM COc1cncc(/C=C\CCN(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000576166616 901746445 /nfs/dbraw/zinc/74/64/45/901746445.db2.gz WAMZADDVMULXRR-DJWKRKHSSA-N -1 3 376.403 3.749 20 0 GHADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]CC1(c2ccccc2)CCCCCC1 ZINC001186484498 914571092 /nfs/dbraw/zinc/57/10/92/914571092.db2.gz WEXLEWFQXMMELJ-UHFFFAOYSA-N -1 3 398.532 3.608 20 0 GHADHM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194898 901930108 /nfs/dbraw/zinc/93/01/08/901930108.db2.gz UGAXKGWDLZONEF-UHFFFAOYSA-N -1 3 390.867 3.612 20 0 GHADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(N)c(Cl)c2[O-])c(C)c1 ZINC000845193842 901930581 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388.464 3.631 20 0 GHADHM COC(=O)c1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1C1CCCC1 ZINC000186829997 907992632 /nfs/dbraw/zinc/99/26/32/907992632.db2.gz VCJFISPFNZUWKR-UHFFFAOYSA-N -1 3 397.456 3.681 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2CCN([C@H](C)c3ccncc3)CC2)sc1Cl ZINC000188124824 908179719 /nfs/dbraw/zinc/17/97/19/908179719.db2.gz PMFRZSRQNTTWLO-CYBMUJFWSA-N -1 3 399.969 3.609 20 0 GHADHM O=S(=O)([N-]C1(c2noc(C(F)F)n2)CCC1)c1cc(Cl)ccc1Cl ZINC000366229408 921396839 /nfs/dbraw/zinc/39/68/39/921396839.db2.gz ZPIDIWUSJOSMPF-UHFFFAOYSA-N -1 3 398.218 3.672 20 0 GHADHM COc1cc(CN(C/C=C/c2ccc(F)cc2F)CC(=O)[O-])cc(OC)c1 ZINC000901610122 921396913 /nfs/dbraw/zinc/39/69/13/921396913.db2.gz KKWLQWAYZSLCPI-ONEGZZNKSA-N -1 3 377.387 3.582 20 0 GHADHM O=c1nc(CN2CCC([C@@H]3CCCO3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000189145280 908289183 /nfs/dbraw/zinc/28/91/83/908289183.db2.gz VREKVIAKLRDDMX-HNNXBMFYSA-N -1 3 385.489 3.636 20 0 GHADHM O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000633886393 908519797 /nfs/dbraw/zinc/51/97/97/908519797.db2.gz STLJTSIKBIPLDN-UHFFFAOYSA-N -1 3 390.365 3.532 20 0 GHADHM Cn1nc2c(c1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl)CCCC2 ZINC000634791229 908827765 /nfs/dbraw/zinc/82/77/65/908827765.db2.gz PRLHSIQWIJGTGH-UHFFFAOYSA-N -1 3 375.828 3.691 20 0 GHADHM Cc1ccnc(-c2cc(CCCC(=O)Nc3nnc(C(F)(F)F)[n-]3)ccn2)c1 ZINC001178272946 908977075 /nfs/dbraw/zinc/97/70/75/908977075.db2.gz QNPROLXGBBRSTM-UHFFFAOYSA-N -1 3 390.369 3.550 20 0 GHADHM Cc1ccnc(-c2cc(CCCC(=O)Nc3nc(C(F)(F)F)n[n-]3)ccn2)c1 ZINC001178272946 908977089 /nfs/dbraw/zinc/97/70/89/908977089.db2.gz QNPROLXGBBRSTM-UHFFFAOYSA-N -1 3 390.369 3.550 20 0 GHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1csc(Br)c1 ZINC000266985882 909358630 /nfs/dbraw/zinc/35/86/30/909358630.db2.gz HLGBCVCJRPXDJO-UHFFFAOYSA-N -1 3 384.299 3.542 20 0 GHADHM CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)on1 ZINC000267100636 909388527 /nfs/dbraw/zinc/38/85/27/909388527.db2.gz OJGRQNQUVARUIO-UHFFFAOYSA-N -1 3 391.855 3.648 20 0 GHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)COc2ccc3oc4c(c3c2)CCCC4)n1 ZINC000636113814 909432818 /nfs/dbraw/zinc/43/28/18/909432818.db2.gz KJNCXZPKJUCDAW-UHFFFAOYSA-N -1 3 395.459 3.546 20 0 GHADHM Cc1ccc(-c2ncc(C(=O)NC(C)(C)c3nc(C)cc(=O)[n-]3)s2)c(C)c1 ZINC000636115338 909437559 /nfs/dbraw/zinc/43/75/59/909437559.db2.gz OCNSOSSBFQNIPS-UHFFFAOYSA-N -1 3 382.489 3.896 20 0 GHADHM Cc1noc(C)c1CSc1ccccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283474 909518231 /nfs/dbraw/zinc/51/82/31/909518231.db2.gz KYMYKKLGEVXIDY-UHFFFAOYSA-N -1 3 396.472 3.544 20 0 GHADHM Cc1ccc(-c2nc(CC(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)cs2)cc1 ZINC000636317925 909536329 /nfs/dbraw/zinc/53/63/29/909536329.db2.gz LVAVXLHPCUQQQY-UHFFFAOYSA-N -1 3 394.500 3.741 20 0 GHADHM CC(C)Cc1ccc(C(=O)CCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636318653 909538190 /nfs/dbraw/zinc/53/81/90/909538190.db2.gz CPLQPDXBGYMXLD-UHFFFAOYSA-N -1 3 395.503 3.928 20 0 GHADHM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320231 909539273 /nfs/dbraw/zinc/53/92/73/909539273.db2.gz KBWUHRYZHXWJTA-LBPRGKRZSA-N -1 3 387.867 3.628 20 0 GHADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320931 909541194 /nfs/dbraw/zinc/54/11/94/909541194.db2.gz VUENBIGDTAOYQI-UHFFFAOYSA-N -1 3 397.866 3.527 20 0 GHADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cs1 ZINC000267638743 909571360 /nfs/dbraw/zinc/57/13/60/909571360.db2.gz QGGWJLOORQEWNA-MRVPVSSYSA-N -1 3 381.306 3.636 20 0 GHADHM COc1cccc(CC2(C[N-]C(=O)C(F)(F)C(F)(F)Cl)CCOCC2)c1 ZINC001179781679 909706844 /nfs/dbraw/zinc/70/68/44/909706844.db2.gz LQNRUTYAZZLMAU-UHFFFAOYSA-N -1 3 397.796 3.618 20 0 GHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CCc1ccccc1Br ZINC001179852925 909768671 /nfs/dbraw/zinc/76/86/71/909768671.db2.gz KPOQEKWSGYXEAO-UHFFFAOYSA-N -1 3 396.212 3.652 20 0 GHADHM COC(=O)c1cc(NC(=O)/C(=C\c2ccccc2)C(F)(F)F)c([O-])c(OC)c1 ZINC001179886872 909807412 /nfs/dbraw/zinc/80/74/12/909807412.db2.gz ZMBGQTQFGUQRJW-MDWZMJQESA-N -1 3 395.333 3.772 20 0 GHADHM CCc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc(Cl)n1 ZINC001179954082 909864576 /nfs/dbraw/zinc/86/45/76/909864576.db2.gz CWPQMCPIJWMGRF-UHFFFAOYSA-N -1 3 384.823 3.630 20 0 GHADHM CCc1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc(Cl)n1 ZINC001179954082 909864584 /nfs/dbraw/zinc/86/45/84/909864584.db2.gz CWPQMCPIJWMGRF-UHFFFAOYSA-N -1 3 384.823 3.630 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2c3ccccc3C[C@@H]2Cc2ccccc2)c(=O)[n-]1 ZINC000637640593 909894615 /nfs/dbraw/zinc/89/46/15/909894615.db2.gz FYXJWVBXHUXLHH-FQEVSTJZSA-N -1 3 387.483 3.932 20 0 GHADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccccc2OC(F)F)n1 ZINC000268564729 909930091 /nfs/dbraw/zinc/93/00/91/909930091.db2.gz GPXUSEXIUCLMTH-SNVBAGLBSA-N -1 3 383.420 3.606 20 0 GHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)s1 ZINC000268963630 910084206 /nfs/dbraw/zinc/08/42/06/910084206.db2.gz JLPZLBRHOCBHCL-LLVKDONJSA-N -1 3 394.356 3.589 20 0 GHADHM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000795379428 910111074 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Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[N-]OC1CCOCC1 ZINC000773918858 910760129 /nfs/dbraw/zinc/76/01/29/910760129.db2.gz QXFXQPSOFQKIFF-UHFFFAOYSA-N -1 3 398.290 3.565 20 0 GHADHM CCC(C)(C)c1ccccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001274562937 910813593 /nfs/dbraw/zinc/81/35/93/910813593.db2.gz QOBSKPLZASGTIF-AWEZNQCLSA-N -1 3 384.442 3.905 20 0 GHADHM C[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(F)c1F ZINC000640297030 910958023 /nfs/dbraw/zinc/95/80/23/910958023.db2.gz SOWIPTQUBRATKX-ZETCQYMHSA-N -1 3 382.720 3.682 20 0 GHADHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H]2c2ccccc2Cl)[n-]1 ZINC000640308056 910961545 /nfs/dbraw/zinc/96/15/45/910961545.db2.gz CRXWMEMTCOTUNU-ZDUSSCGKSA-N -1 3 383.677 3.627 20 0 GHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2Br)o1 ZINC000640309236 910963131 /nfs/dbraw/zinc/96/31/31/910963131.db2.gz HOKUQSAGCMUMRZ-ZDUSSCGKSA-N -1 3 381.274 3.655 20 0 GHADHM COc1cc(F)c(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)c(Cl)c1 ZINC001182311198 911469488 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O=C(CNC(=O)c1ccc([O-])cc1)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001182970197 912159770 /nfs/dbraw/zinc/15/97/70/912159770.db2.gz UPOJUGBGXQBXEB-UHFFFAOYSA-N -1 3 388.467 3.681 20 0 GHADHM CCN(C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1)CC(F)(F)F ZINC000646895079 914908154 /nfs/dbraw/zinc/90/81/54/914908154.db2.gz HWZUZLBMZNXYSE-NSHDSACASA-N -1 3 398.347 3.757 20 0 GHADHM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)c1ccccc1-c1nnn[n-]1 ZINC001186998701 914967007 /nfs/dbraw/zinc/96/70/07/914967007.db2.gz GRKKHKQJUBZYFA-QPPBQGQZSA-N -1 3 393.450 3.883 20 0 GHADHM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)c1ccccc1-c1nn[n-]n1 ZINC001186998701 914967016 /nfs/dbraw/zinc/96/70/16/914967016.db2.gz GRKKHKQJUBZYFA-QPPBQGQZSA-N -1 3 393.450 3.883 20 0 GHADHM CCOC(=O)C1([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCCC1 ZINC001187084042 915023780 /nfs/dbraw/zinc/02/37/80/915023780.db2.gz AIMJENJYSOIHLG-UHFFFAOYSA-N -1 3 394.320 3.679 20 0 GHADHM CCOCCS(=O)(=O)[N-]c1cc(Br)c(Cl)cc1Cl ZINC001187291915 915156960 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O=S(=O)([N-][C@@H](c1ccccc1F)C1CC1)c1cnc(Cl)c(Cl)c1 ZINC001188088332 915746676 /nfs/dbraw/zinc/74/66/76/915746676.db2.gz GCHTZOFQRMUVAO-CQSZACIVSA-N -1 3 375.252 3.957 20 0 GHADHM COc1c(Cl)cc(Cl)cc1C(=O)[N-]c1nnc(Br)s1 ZINC001188130353 915771652 /nfs/dbraw/zinc/77/16/52/915771652.db2.gz BEFRFYINJFXDCJ-UHFFFAOYSA-N -1 3 383.054 3.868 20 0 GHADHM CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C(C)=O)c2[O-])cc1OCC ZINC000648904157 915931999 /nfs/dbraw/zinc/93/19/99/915931999.db2.gz WRTZTASMFFTLQT-UHFFFAOYSA-N -1 3 399.443 3.994 20 0 GHADHM COc1ccc([C@@H](O)C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000293021401 915954245 /nfs/dbraw/zinc/95/42/45/915954245.db2.gz CJXSZIVJSDRTHD-JOCHJYFZSA-N -1 3 392.455 3.535 20 0 GHADHM COc1ccc([C@H](O)C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000293021414 915954628 /nfs/dbraw/zinc/95/46/28/915954628.db2.gz CJXSZIVJSDRTHD-QFIPXVFZSA-N -1 3 392.455 3.535 20 0 GHADHM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1Br)c1ccoc1 ZINC001188610027 916055198 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3.522 20 0 GHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cnc2cc(C3CCC3)nn2c1 ZINC001189075344 916390396 /nfs/dbraw/zinc/39/03/96/916390396.db2.gz HAPZUFZODFLYEQ-UHFFFAOYSA-N -1 3 390.896 3.635 20 0 GHADHM [O-]C(Nc1ccn(-c2ccccc2Cl)n1)=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000649846422 916471468 /nfs/dbraw/zinc/47/14/68/916471468.db2.gz HZZIXQYHHVDENN-NWDGAFQWSA-N -1 3 387.789 3.634 20 0 GHADHM [O-]C(Nc1ccn(-c2ccccc2Cl)n1)=C(C[C@H]1CCCO1)C(F)(F)F ZINC000649846424 916471753 /nfs/dbraw/zinc/47/17/53/916471753.db2.gz HZZIXQYHHVDENN-VXGBXAGGSA-N -1 3 387.789 3.634 20 0 GHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(I)s2)CC1 ZINC001189322399 916552821 /nfs/dbraw/zinc/55/28/21/916552821.db2.gz YIGQRMASQDBRFT-NXEZZACHSA-N -1 3 399.319 3.600 20 0 GHADHM CSc1nnc([N-]C(=O)c2cc(F)c(F)c(C(F)(F)F)c2)c(SC)n1 ZINC001189338980 916566926 /nfs/dbraw/zinc/56/69/26/916566926.db2.gz DUKNSILZRRVQRM-UHFFFAOYSA-N -1 3 396.366 3.865 20 0 GHADHM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189356760 916595260 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0 GHADHM COc1cc([O-])c(C(=O)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001190119997 917141824 /nfs/dbraw/zinc/14/18/24/917141824.db2.gz CWAHMXRNYYFUSL-GAJHUEQPSA-N -1 3 397.471 3.588 20 0 GHADHM CC(C)(C)Sc1ccccc1[N-]C(=O)c1cc(CN2CCOCC2)on1 ZINC001190209411 917198757 /nfs/dbraw/zinc/19/87/57/917198757.db2.gz MHNJNYSBLNZFTD-UHFFFAOYSA-N -1 3 375.494 3.650 20 0 GHADHM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000362325456 917211592 /nfs/dbraw/zinc/21/15/92/917211592.db2.gz ICKOGWWUPPNYRH-OZOXKJRCSA-N -1 3 383.444 3.593 20 0 GHADHM O=S(=O)([N-]c1cccnc1Br)c1ccc(C(F)(F)F)cc1 ZINC000121379127 917229950 /nfs/dbraw/zinc/22/99/50/917229950.db2.gz FZQYTMGYSWSEEC-UHFFFAOYSA-N -1 3 381.173 3.664 20 0 GHADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F ZINC001190340547 917271914 /nfs/dbraw/zinc/27/19/14/917271914.db2.gz WQGPLXUXXNAFAG-TZMCWYRMSA-N -1 3 377.334 3.818 20 0 GHADHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190411348 917318971 /nfs/dbraw/zinc/31/89/71/917318971.db2.gz SKDFTZKBBOQTOP-UHFFFAOYSA-N -1 3 394.212 3.653 20 0 GHADHM CO[C@](C)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1ccccc1 ZINC001190494419 917390585 /nfs/dbraw/zinc/39/05/85/917390585.db2.gz GLSYCKWDFAIQEA-QGZVFWFLSA-N -1 3 396.921 3.790 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(Cl)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190893855 917636598 /nfs/dbraw/zinc/63/65/98/917636598.db2.gz SCKIYNPIKDMCHC-UHFFFAOYSA-N -1 3 383.857 3.883 20 0 GHADHM O=S(=O)([N-]Cc1ccc(C2CC2)cc1F)c1cnc(Cl)c(Cl)c1 ZINC001190966085 917670590 /nfs/dbraw/zinc/67/05/90/917670590.db2.gz BGTINJBLAHOLAP-UHFFFAOYSA-N -1 3 375.252 3.883 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000651677392 917689981 /nfs/dbraw/zinc/68/99/81/917689981.db2.gz GXDOUWVTMHJJGW-LURJTMIESA-N -1 3 388.795 3.994 20 0 GHADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)ncc2NC(=O)OC(C)(C)C)n1 ZINC001191025217 917712838 /nfs/dbraw/zinc/71/28/38/917712838.db2.gz QDIAGMHYWVBEML-UHFFFAOYSA-N -1 3 378.816 3.743 20 0 GHADHM COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4[nH][n-]c(=O)c4c3)s2)c1 ZINC001191080757 917745816 /nfs/dbraw/zinc/74/58/16/917745816.db2.gz OQZHXMUFOFHDBH-UHFFFAOYSA-N -1 3 380.429 3.961 20 0 GHADHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC001191150355 917786195 /nfs/dbraw/zinc/78/61/95/917786195.db2.gz ZDTFBAIZPWYFJN-SSDOTTSWSA-N -1 3 398.735 3.543 20 0 GHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2cn(C)c3ccc(F)cc23)c1 ZINC001191291958 917900697 /nfs/dbraw/zinc/90/06/97/917900697.db2.gz FMWRKOMDXYHRIX-GFCCVEGCSA-N -1 3 395.887 3.584 20 0 GHADHM COc1ccc(-c2nc(CN3CC[C@](C(=O)[O-])(c4ccccc4)C3)co2)cc1 ZINC000652501864 917914507 /nfs/dbraw/zinc/91/45/07/917914507.db2.gz XJQPSDAJYFKKQV-JOCHJYFZSA-N -1 3 378.428 3.579 20 0 GHADHM C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515082 917918441 /nfs/dbraw/zinc/91/84/41/917918441.db2.gz NZAQRPRYHHYGDV-WKPIXPDZSA-N -1 3 395.381 3.859 20 0 GHADHM O=S(=O)([N-]C1CC(Cl)(Cl)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC001309901142 917970373 /nfs/dbraw/zinc/97/03/73/917970373.db2.gz AAHXFIMAKDUSNX-UHFFFAOYSA-N -1 3 398.617 3.853 20 0 GHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(CC)CC)cc2C)cc1 ZINC001191450690 917981683 /nfs/dbraw/zinc/98/16/83/917981683.db2.gz DHROOQLWNRYERQ-UHFFFAOYSA-N -1 3 390.505 3.819 20 0 GHADHM COc1cc(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)cc(OC)c1[O-] ZINC000652786055 918012803 /nfs/dbraw/zinc/01/28/03/918012803.db2.gz DWAFSSOWCPVHMQ-LBPRGKRZSA-N -1 3 375.852 3.865 20 0 GHADHM COC(=O)c1cc2cccc([N-]C(=O)c3cnc(Br)o3)c2s1 ZINC001191726303 918146650 /nfs/dbraw/zinc/14/66/50/918146650.db2.gz VFUFLVBXUIERNI-UHFFFAOYSA-N -1 3 381.207 3.691 20 0 GHADHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001192057713 918392964 /nfs/dbraw/zinc/39/29/64/918392964.db2.gz WUKIAYOCWJWVEU-ZYHUDNBSSA-N -1 3 387.420 3.677 20 0 GHADHM C[C@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1cccc(C2CC2)c1 ZINC000297256664 919187538 /nfs/dbraw/zinc/18/75/38/919187538.db2.gz SLQZLVRTIVMBMA-KBPBESRZSA-N -1 3 397.441 3.725 20 0 GHADHM CCOc1cc(CNc2ccc3c(c2)CCN3C(=O)COC)cc(Cl)c1[O-] ZINC000297341058 919255434 /nfs/dbraw/zinc/25/54/34/919255434.db2.gz DMQPPPCBTPAAKP-UHFFFAOYSA-N -1 3 390.867 3.592 20 0 GHADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000275923028 919483752 /nfs/dbraw/zinc/48/37/52/919483752.db2.gz VGZLVBVRFNEGLU-KGLIPLIRSA-N -1 3 385.464 3.506 20 0 GHADHM O=C(Nc1ccccc1)[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000800260736 919798432 /nfs/dbraw/zinc/79/84/32/919798432.db2.gz MCFNBANCWLMPGA-LJQANCHMSA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccccc1)[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000800260736 919798442 /nfs/dbraw/zinc/79/84/42/919798442.db2.gz MCFNBANCWLMPGA-LJQANCHMSA-N -1 3 390.374 3.634 20 0 GHADHM O=C(Nc1ccccc1)[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000800260736 919798454 /nfs/dbraw/zinc/79/84/54/919798454.db2.gz MCFNBANCWLMPGA-LJQANCHMSA-N -1 3 390.374 3.634 20 0 GHADHM Cc1ccnc(CNC[C@H](CC(=O)[O-])c2ccc(F)cc2)c1Br ZINC000900079056 919812641 /nfs/dbraw/zinc/81/26/41/919812641.db2.gz LHLALHIGTXKFJO-ZDUSSCGKSA-N -1 3 381.245 3.640 20 0 GHADHM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cnc(C2CC2)[n-]c1=O ZINC000900204573 920005713 /nfs/dbraw/zinc/00/57/13/920005713.db2.gz FRQKOZXXSKQMCA-UHFFFAOYSA-N -1 3 387.289 3.515 20 0 GHADHM CCOC(=O)Oc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000800396041 920024587 /nfs/dbraw/zinc/02/45/87/920024587.db2.gz SVFFCHMVQQTHKS-UHFFFAOYSA-N -1 3 394.383 3.912 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Br)c(Cl)n1 ZINC000800839412 920515356 /nfs/dbraw/zinc/51/53/56/920515356.db2.gz GCSCBTJCWZNVTP-UHFFFAOYSA-N -1 3 375.675 3.915 20 0 GHADHM COc1cccc([O-])c1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000900758907 920579519 /nfs/dbraw/zinc/57/95/19/920579519.db2.gz SCDWAWVDVUROJJ-IBGZPJMESA-N -1 3 375.852 3.640 20 0 GHADHM CC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nc(C)cs1 ZINC000800917489 920599072 /nfs/dbraw/zinc/59/90/72/920599072.db2.gz ODCVQEGJWGCUQB-KRWDZBQOSA-N -1 3 398.937 3.838 20 0 GHADHM CCOCc1ccccc1CNCc1ccc(C(=O)[O-])c(Br)c1 ZINC000902111050 921884453 /nfs/dbraw/zinc/88/44/53/921884453.db2.gz OFWKFCOJNLGVNJ-UHFFFAOYSA-N -1 3 378.266 3.974 20 0 GHADHM CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902201599 921979272 /nfs/dbraw/zinc/97/92/72/921979272.db2.gz LDCRINKMDXVPRP-HNNXBMFYSA-N -1 3 386.414 3.532 20 0 GHADHM CCOc1cc(CNCc2ccc(C(=O)[O-])c(Br)c2)ccc1OC ZINC000902240622 922023531 /nfs/dbraw/zinc/02/35/31/922023531.db2.gz OOKHZTASGWTCGT-UHFFFAOYSA-N -1 3 394.265 3.844 20 0 GHADHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000802893121 922503292 /nfs/dbraw/zinc/50/32/92/922503292.db2.gz WBKZSWIMXWTJHO-QWHCGFSZSA-N -1 3 379.197 3.739 20 0 GHADHM COc1cccc(CC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000368166568 922512934 /nfs/dbraw/zinc/51/29/34/922512934.db2.gz JUJXKFCNIBHCIS-UHFFFAOYSA-N -1 3 376.456 3.632 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000368201859 922529965 /nfs/dbraw/zinc/52/99/65/922529965.db2.gz OWZUNSSIDGOPBQ-ZSEKCTLFSA-N -1 3 383.448 3.593 20 0 GHADHM C[C@H]1CC2(CC([N-]C(=O)C(F)(F)c3ncc(C(F)(F)F)cc3Cl)C2)CO1 ZINC000903028554 922719194 /nfs/dbraw/zinc/71/91/94/922719194.db2.gz RAAYAIOOZWAGAZ-BQDOLQKVSA-N -1 3 398.759 3.919 20 0 GHADHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC1CCC(=O)CC1 ZINC000803282144 922852307 /nfs/dbraw/zinc/85/23/07/922852307.db2.gz GEFBZTJXTQNHHU-NRFANRHFSA-N -1 3 395.455 3.556 20 0 GHADHM COc1ccccc1COC1CCN(Cc2cc(C(=O)[O-])ccc2OC)CC1 ZINC000903599019 923116258 /nfs/dbraw/zinc/11/62/58/923116258.db2.gz ZBKXMTMTLMRBAD-UHFFFAOYSA-N -1 3 385.460 3.583 20 0 GHADHM COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])on1 ZINC000903627914 923137525 /nfs/dbraw/zinc/13/75/25/923137525.db2.gz TUMZINCIFAVPCF-QKLQHJQFSA-N -1 3 378.428 3.656 20 0 GHADHM O=C([O-])[C@@H]1CCN(CCOc2cc(Cl)ccc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC000903944232 923423354 /nfs/dbraw/zinc/42/33/54/923423354.db2.gz PTURZBRPVIVGLJ-WQVCFCJDSA-N -1 3 388.291 3.716 20 0 GHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000369668453 923530142 /nfs/dbraw/zinc/53/01/42/923530142.db2.gz YJBWVBWLWLTGNB-MRXNPFEDSA-N -1 3 390.821 3.775 20 0 GHADHM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000748842322 923856251 /nfs/dbraw/zinc/85/62/51/923856251.db2.gz HWMZAKLWIBSZRK-UHFFFAOYSA-N -1 3 394.452 3.997 20 0 GHADHM CCOC(=O)N1[C@H](C(=O)Nc2cc(F)ccc2[O-])CC[C@H]1c1ccc(C)o1 ZINC000748859629 923867546 /nfs/dbraw/zinc/86/75/46/923867546.db2.gz YBYNHFPEUKZSEL-GJZGRUSLSA-N -1 3 376.384 3.733 20 0 GHADHM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc([O-])ccc1Cl ZINC000370221900 923968292 /nfs/dbraw/zinc/96/82/92/923968292.db2.gz JXPQYTKNYNXQDM-UHFFFAOYSA-N -1 3 378.215 3.722 20 0 GHADHM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000749159299 924055241 /nfs/dbraw/zinc/05/52/41/924055241.db2.gz VHGPYXWIFSVDQH-UHFFFAOYSA-N -1 3 383.473 3.902 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000826730396 924129982 /nfs/dbraw/zinc/12/99/82/924129982.db2.gz AAQFZAKYOFMTBW-CYBMUJFWSA-N -1 3 394.537 3.880 20 0 GHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(c4ccccn4)CC3)cc2)cc(=O)[n-]1 ZINC000677140884 924256126 /nfs/dbraw/zinc/25/61/26/924256126.db2.gz JWSCGPAHWBXZKX-UHFFFAOYSA-N -1 3 389.459 3.964 20 0 GHADHM CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@@H]1c1cccc(Cl)c1 ZINC000677212222 924286020 /nfs/dbraw/zinc/28/60/20/924286020.db2.gz PUAJJXQPAWUIDM-DYVFJYSZSA-N -1 3 379.243 3.857 20 0 GHADHM CCc1cccc(C(=O)N2C[C@H](C(=O)NC(CC)CC)Oc3ccccc32)c1[O-] ZINC000678308689 924717926 /nfs/dbraw/zinc/71/79/26/924717926.db2.gz LEJKBEZOTBHBCJ-HXUWFJFHSA-N -1 3 396.487 3.667 20 0 GHADHM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1cscn1 ZINC000410030598 925258218 /nfs/dbraw/zinc/25/82/18/925258218.db2.gz PCCBQPXFRKVDGA-UHFFFAOYSA-N -1 3 385.243 3.816 20 0 GHADHM COc1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc(OC)c1[O-] ZINC000680816198 925619539 /nfs/dbraw/zinc/61/95/39/925619539.db2.gz OMBZRTYUDPUYIM-OAHLLOKOSA-N -1 3 380.444 3.911 20 0 GHADHM CC(C)c1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2Br)[nH]1 ZINC000827526074 925758124 /nfs/dbraw/zinc/75/81/24/925758124.db2.gz LKBPENXIJYNDFE-SECBINFHSA-N -1 3 387.228 3.660 20 0 GHADHM CCc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1[O-] ZINC001137435898 925784014 /nfs/dbraw/zinc/78/40/14/925784014.db2.gz GUKZKINLIZOUMH-FQEVSTJZSA-N -1 3 381.472 3.782 20 0 GHADHM C[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000682392042 926096784 /nfs/dbraw/zinc/09/67/84/926096784.db2.gz RJLYNNRKXVNTRQ-KBPBESRZSA-N -1 3 393.484 3.653 20 0 GHADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000373443107 926130137 /nfs/dbraw/zinc/13/01/37/926130137.db2.gz XFQWROLIXVGEDP-RBZFPXEDSA-N -1 3 382.847 3.784 20 0 GHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000373459989 926153975 /nfs/dbraw/zinc/15/39/75/926153975.db2.gz NGYVPTDIKLHLSH-QGZVFWFLSA-N -1 3 390.487 3.883 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2C)sc1Cl ZINC000682724062 926219833 /nfs/dbraw/zinc/21/98/33/926219833.db2.gz MXLUDYWZLDWGDL-UHFFFAOYSA-N -1 3 381.910 3.683 20 0 GHADHM CCOC(=O)[C@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](C)CC ZINC000411479368 926443874 /nfs/dbraw/zinc/44/38/74/926443874.db2.gz LXGPYQAIXZKRRS-MEDUHNTESA-N -1 3 389.477 3.724 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000725903845 926490534 /nfs/dbraw/zinc/49/05/34/926490534.db2.gz NQTWPAJZSJSYNS-INIZCTEOSA-N -1 3 376.497 3.987 20 0 GHADHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000725990910 926522899 /nfs/dbraw/zinc/52/28/99/926522899.db2.gz ACXMMHRLILKKTD-VIFPVBQESA-N -1 3 389.807 3.908 20 0 GHADHM CCCCNC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276199039 927158776 /nfs/dbraw/zinc/15/87/76/927158776.db2.gz AZPWYGKQMSCNBQ-QGZVFWFLSA-N -1 3 378.900 3.557 20 0 GHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1[O-] ZINC000412204200 927204525 /nfs/dbraw/zinc/20/45/25/927204525.db2.gz HSCSGVBFQROQEP-AWEZNQCLSA-N -1 3 382.391 3.895 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[O-] ZINC000412209769 927211068 /nfs/dbraw/zinc/21/10/68/927211068.db2.gz YJHFQVFAMLNNSP-QRQCRPRQSA-N -1 3 397.471 3.650 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[O-] ZINC000412209766 927211246 /nfs/dbraw/zinc/21/12/46/927211246.db2.gz YJHFQVFAMLNNSP-IVZQSRNASA-N -1 3 397.471 3.650 20 0 GHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c(=O)[n-]1 ZINC000374549663 927270547 /nfs/dbraw/zinc/27/05/47/927270547.db2.gz OQZVTLMDBLDQPX-HSZRJFAPSA-N -1 3 379.504 3.628 20 0 GHADHM CC1(C)CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1 ZINC000543820434 927397248 /nfs/dbraw/zinc/39/72/48/927397248.db2.gz RKWHCBVOESINDB-SNVBAGLBSA-N -1 3 378.416 3.842 20 0 GHADHM CSc1ccncc1[N-]C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000750113868 927437588 /nfs/dbraw/zinc/43/75/88/927437588.db2.gz AYTIGIHKPMUREO-UHFFFAOYSA-N -1 3 375.841 3.704 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccco1 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COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccccc1OC(F)F)c2=O ZINC000557262234 931308423 /nfs/dbraw/zinc/30/84/23/931308423.db2.gz KCTXXMCCQJHCQY-UHFFFAOYSA-N -1 3 378.306 3.530 20 0 GHADHM CC(=O)c1cccc(OCCCC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783284664 931481953 /nfs/dbraw/zinc/48/19/53/931481953.db2.gz YLVOEXGLGPQGCG-UHFFFAOYSA-N -1 3 396.399 3.547 20 0 GHADHM CCn1cc(CC(=O)OCc2noc(-c3ccccc3[O-])n2)c2ccccc21 ZINC000783324509 931520589 /nfs/dbraw/zinc/52/05/89/931520589.db2.gz ZNAUQKAMAWAWCI-UHFFFAOYSA-N -1 3 377.400 3.703 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cccc3n[n-]nc32)C1 ZINC000783635876 931603145 /nfs/dbraw/zinc/60/31/45/931603145.db2.gz CZQHIJHWWGAFJM-UHFFFAOYSA-N -1 3 393.447 3.503 20 0 GHADHM O=S(=O)([N-]C1(c2ccc(F)cc2)CCCC1)c1cccnc1C(F)(F)F ZINC000557806994 931697732 /nfs/dbraw/zinc/69/77/32/931697732.db2.gz AZZGITWVQOZRSN-UHFFFAOYSA-N -1 3 388.386 3.987 20 0 GHADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000558088630 931835895 /nfs/dbraw/zinc/83/58/95/931835895.db2.gz HNSQLXAGSFHTNS-GFCCVEGCSA-N -1 3 375.475 3.678 20 0 GHADHM COc1cc(C(=O)OCc2cncc(OCc3ccccc3)c2)cc(OC)c1[O-] ZINC000784359224 931867728 /nfs/dbraw/zinc/86/77/28/931867728.db2.gz BITQSQGDVQNPIZ-UHFFFAOYSA-N -1 3 395.411 3.740 20 0 GHADHM CC(C)(NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000558467372 932018418 /nfs/dbraw/zinc/01/84/18/932018418.db2.gz RCLAOCMVEQQCSR-UHFFFAOYSA-N -1 3 378.354 3.712 20 0 GHADHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1 ZINC000777667528 932787195 /nfs/dbraw/zinc/78/71/95/932787195.db2.gz JTJVEMDPXUNKFT-UHFFFAOYSA-N -1 3 389.477 3.574 20 0 GHADHM Cc1cc(CCCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)s1 ZINC000799021150 932853141 /nfs/dbraw/zinc/85/31/41/932853141.db2.gz OHPVEHOQFQUZPC-UHFFFAOYSA-N -1 3 390.471 3.605 20 0 GHADHM CCCn1c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc2ccccc21 ZINC000799021264 932853312 /nfs/dbraw/zinc/85/33/12/932853312.db2.gz SSOHLIVCEUZRHU-UHFFFAOYSA-N -1 3 395.425 3.582 20 0 GHADHM C/C(=C\C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000799021878 932854003 /nfs/dbraw/zinc/85/40/03/932854003.db2.gz SIVMQNNCCSOFLF-FMIVXFBMSA-N -1 3 388.817 3.660 20 0 GHADHM COc1ccccc1CO[N-]C(=O)CCCOc1ccccc1Br ZINC000799093315 932876294 /nfs/dbraw/zinc/87/62/94/932876294.db2.gz LKZVRXWYGAQNFZ-UHFFFAOYSA-N -1 3 394.265 3.865 20 0 GHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000928787906 933105075 /nfs/dbraw/zinc/10/50/75/933105075.db2.gz RQFAAASVDMOVEP-UHFFFAOYSA-N -1 3 376.420 3.796 20 0 GHADHM CCc1cccc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799784072 933118131 /nfs/dbraw/zinc/11/81/31/933118131.db2.gz OAUREFLMBLTGLW-OAHLLOKOSA-N -1 3 376.497 3.722 20 0 GHADHM O=c1[n-]c(CN2CCC(F)(c3ccccn3)CC2)nc2c3ccccc3oc21 ZINC000560245319 933154257 /nfs/dbraw/zinc/15/42/57/933154257.db2.gz DNMVWPLAAFLZNL-UHFFFAOYSA-N -1 3 378.407 3.937 20 0 GHADHM O=C(c1cc([O-])cc(Br)c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000929074896 933230009 /nfs/dbraw/zinc/23/00/09/933230009.db2.gz GTNMRACLXGKGPA-UHFFFAOYSA-N -1 3 398.260 3.539 20 0 GHADHM Cn1cc(-c2ncccc2[N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000560378161 933230710 /nfs/dbraw/zinc/23/07/10/933230710.db2.gz XUANFVMMJNEWCD-UHFFFAOYSA-N -1 3 397.287 3.731 20 0 GHADHM Cc1cc(CNC(=O)CCc2c(C)nc[n-]c2=O)ccc1Oc1ccc(F)cc1 ZINC001115912489 933241624 /nfs/dbraw/zinc/24/16/24/933241624.db2.gz WTXORQOXCJNCQA-UHFFFAOYSA-N -1 3 395.434 3.979 20 0 GHADHM O=C(N=c1[nH][n-]cc1Br)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000560543678 933330838 /nfs/dbraw/zinc/33/08/38/933330838.db2.gz FYOJJBLEPBDKQS-UHFFFAOYSA-N -1 3 377.629 3.562 20 0 GHADHM COc1cccc(CCC(=O)NCc2ccc([O-])c(Br)c2)c1F ZINC000560611183 933385741 /nfs/dbraw/zinc/38/57/41/933385741.db2.gz WKXWKGUSLBXFLK-UHFFFAOYSA-N -1 3 382.229 3.551 20 0 GHADHM O=C1[C@H](NCc2cccc([O-])c2Br)CCCN1C1CCCCC1 ZINC000560612272 933386818 /nfs/dbraw/zinc/38/68/18/933386818.db2.gz CQVAFXNBXFBLQW-OAHLLOKOSA-N -1 3 381.314 3.568 20 0 GHADHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)cc1OC(F)F ZINC001116438318 933558943 /nfs/dbraw/zinc/55/89/43/933558943.db2.gz BEARVPPWPKQRED-VIFPVBQESA-N -1 3 377.322 3.567 20 0 GHADHM Cc1nc(N(C)C)sc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001116485393 933586459 /nfs/dbraw/zinc/58/64/59/933586459.db2.gz KGWINWVFMBFJNN-SECBINFHSA-N -1 3 392.506 3.763 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000560970786 933741257 /nfs/dbraw/zinc/74/12/57/933741257.db2.gz URUCAHIXEJHYNP-FQEVSTJZSA-N -1 3 394.515 3.698 20 0 GHADHM Cc1nc2ccccc2c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1C ZINC001116819633 933775428 /nfs/dbraw/zinc/77/54/28/933775428.db2.gz XDFPHVQPLYPDIC-UHFFFAOYSA-N -1 3 375.384 3.964 20 0 GHADHM O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000561191766 933944982 /nfs/dbraw/zinc/94/49/82/933944982.db2.gz KERPQMNYYCJNNC-UHFFFAOYSA-N -1 3 382.247 3.565 20 0 GHADHM O=c1[n-]c(SCc2ccc3c(c2)COC3)nc2c1cnn2-c1ccccc1 ZINC000777882885 933958422 /nfs/dbraw/zinc/95/84/22/933958422.db2.gz JRFOIRGFYRWFBX-UHFFFAOYSA-N -1 3 376.441 3.844 20 0 GHADHM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000930670910 934172523 /nfs/dbraw/zinc/17/25/23/934172523.db2.gz OONIDVCXOMKKJT-QKKBWIMNSA-N -1 3 398.409 3.704 20 0 GHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)cc1C(C)C ZINC001118575915 934201299 /nfs/dbraw/zinc/20/12/99/934201299.db2.gz BMLWINUSEAMSSK-UHFFFAOYSA-N -1 3 390.505 3.807 20 0 GHADHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1c(F)cccc1OC(F)(F)F ZINC000561536310 934250120 /nfs/dbraw/zinc/25/01/20/934250120.db2.gz AVNJAUSQXQGCMP-CQSZACIVSA-N -1 3 390.358 3.549 20 0 GHADHM O=S(=O)([N-]C[C@@H]1CCCSC1)c1cccc(Cl)c1Br ZINC000561564264 934275763 /nfs/dbraw/zinc/27/57/63/934275763.db2.gz KXWKVBKDFKNGPP-VIFPVBQESA-N -1 3 384.748 3.524 20 0 GHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1C ZINC000561694289 934373969 /nfs/dbraw/zinc/37/39/69/934373969.db2.gz BRDHOPWAWCAYNM-UHFFFAOYSA-N -1 3 388.489 3.548 20 0 GHADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001120679564 934491744 /nfs/dbraw/zinc/49/17/44/934491744.db2.gz RNZBDYJUPPRVMP-SSDOTTSWSA-N -1 3 392.179 3.546 20 0 GHADHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001120679564 934491748 /nfs/dbraw/zinc/49/17/48/934491748.db2.gz RNZBDYJUPPRVMP-SSDOTTSWSA-N -1 3 392.179 3.546 20 0 GHADHM CC(C)c1sc(NC(=O)NCCCc2c[n-][nH]c2=O)nc1-c1ccccc1 ZINC000931677618 934669285 /nfs/dbraw/zinc/66/92/85/934669285.db2.gz UWTNXOUYFXFLMU-AWEZNQCLSA-N -1 3 385.493 3.567 20 0 GHADHM O=c1o[n-]cc1-c1nnc(N2CCC[C@H]2c2ccccc2)n1C[C@H]1CCCCO1 ZINC001123291799 935146047 /nfs/dbraw/zinc/14/60/47/935146047.db2.gz LZEYHSCCLDGBAS-AEFFLSMTSA-N -1 3 395.463 3.549 20 0 GHADHM CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001123912546 935319028 /nfs/dbraw/zinc/31/90/28/935319028.db2.gz IHLCCHWMTDORPO-INIZCTEOSA-N -1 3 398.532 3.558 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1 ZINC001124127943 935346595 /nfs/dbraw/zinc/34/65/95/935346595.db2.gz TWPTVHPKASEIAI-MRXNPFEDSA-N -1 3 397.475 3.983 20 0 GHADHM O=C(NC(Cc1ccccc1F)Cc1ccccc1F)c1ccc(O)cc1[O-] ZINC001137640434 935655803 /nfs/dbraw/zinc/65/58/03/935655803.db2.gz NDYXXUBTDDDZCK-UHFFFAOYSA-N -1 3 383.394 3.960 20 0 GHADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C2CC2)cc1F ZINC000828625452 935678668 /nfs/dbraw/zinc/67/86/68/935678668.db2.gz DGEYBUXSQWHYHH-UHFFFAOYSA-N -1 3 392.434 3.728 20 0 GHADHM O=C([N-]Cc1ccc2[nH]c(=O)[nH]c2c1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001137771946 935781620 /nfs/dbraw/zinc/78/16/20/935781620.db2.gz AKEMHLUWAQQZNB-UHFFFAOYSA-N -1 3 386.185 3.984 20 0 GHADHM CCc1cccc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC001137916650 935868533 /nfs/dbraw/zinc/86/85/33/935868533.db2.gz SOIIIZFBRWJTMO-UHFFFAOYSA-N -1 3 397.475 3.895 20 0 GHADHM CCC1CCC(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908885528 939345741 /nfs/dbraw/zinc/34/57/41/939345741.db2.gz ZWXQNFNXPGZADC-KJUWTFRMSA-N -1 3 387.524 3.545 20 0 GHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1oc2c(cccc2F)c1C ZINC001573554452 946898954 /nfs/dbraw/zinc/89/89/54/946898954.db2.gz ULWADTGKRWSFGN-UHFFFAOYSA-N -1 3 379.351 3.515 20 0 GHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1oc2c(cccc2F)c1C ZINC001573554452 946898966 /nfs/dbraw/zinc/89/89/66/946898966.db2.gz ULWADTGKRWSFGN-UHFFFAOYSA-N -1 3 379.351 3.515 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001573367102 947753291 /nfs/dbraw/zinc/75/32/91/947753291.db2.gz XDYFVAHPGRAJQW-DHZHZOJOSA-N -1 3 388.258 3.893 20 0 GHADHM CC(=Cc1c(Cl)cccc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001573367102 947753300 /nfs/dbraw/zinc/75/33/00/947753300.db2.gz XDYFVAHPGRAJQW-DHZHZOJOSA-N -1 3 388.258 3.893 20 0 GHADHM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1ccccc1Cl ZINC001452415088 948521934 /nfs/dbraw/zinc/52/19/34/948521934.db2.gz HRSLXMVXWCDUTI-ZDUSSCGKSA-N -1 3 384.871 3.775 20 0 GHADHM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1ccccc1Cl ZINC001452415088 948521940 /nfs/dbraw/zinc/52/19/40/948521940.db2.gz HRSLXMVXWCDUTI-ZDUSSCGKSA-N -1 3 384.871 3.775 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001535491767 948544910 /nfs/dbraw/zinc/54/49/10/948544910.db2.gz FSXBGELRPQZKFJ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001535491767 948544912 /nfs/dbraw/zinc/54/49/12/948544912.db2.gz FSXBGELRPQZKFJ-UHFFFAOYSA-N -1 3 375.791 3.699 20 0 GHADHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccc1OCCC(C)C ZINC001535493333 948546518 /nfs/dbraw/zinc/54/65/18/948546518.db2.gz UIKFQGZJKLFTOG-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccc1OCCC(C)C ZINC001535493333 948546523 /nfs/dbraw/zinc/54/65/23/948546523.db2.gz UIKFQGZJKLFTOG-UHFFFAOYSA-N -1 3 399.426 3.692 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001540586728 948551057 /nfs/dbraw/zinc/55/10/57/948551057.db2.gz JWJRCQYUBMUWHA-UHFFFAOYSA-N -1 3 379.464 3.828 20 0 GHADHM CCC(CC)(COCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001540586728 948551062 /nfs/dbraw/zinc/55/10/62/948551062.db2.gz JWJRCQYUBMUWHA-UHFFFAOYSA-N -1 3 379.464 3.828 20 0 GHADHM CC(C)c1cccc(OCC(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)c1 ZINC001574420530 948801103 /nfs/dbraw/zinc/80/11/03/948801103.db2.gz WUPLDDUNSDRCFP-UHFFFAOYSA-N -1 3 391.475 3.565 20 0 GHADHM CC(C)c1cccc(OCC(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)c1 ZINC001574420530 948801120 /nfs/dbraw/zinc/80/11/20/948801120.db2.gz WUPLDDUNSDRCFP-UHFFFAOYSA-N -1 3 391.475 3.565 20 0 GHADHM CC(C)[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC001574080688 948802555 /nfs/dbraw/zinc/80/25/55/948802555.db2.gz URZKNVWBMZDUHH-CQSZACIVSA-N -1 3 391.262 3.696 20 0 GHADHM CC(C)[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC001574080688 948802574 /nfs/dbraw/zinc/80/25/74/948802574.db2.gz URZKNVWBMZDUHH-CQSZACIVSA-N -1 3 391.262 3.696 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001574083413 948881762 /nfs/dbraw/zinc/88/17/62/948881762.db2.gz SFMROBBYHLIVOO-IFXJQAMLSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001574083413 948881783 /nfs/dbraw/zinc/88/17/83/948881783.db2.gz SFMROBBYHLIVOO-IFXJQAMLSA-N -1 3 393.516 3.961 20 0 GHADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001574093956 949122251 /nfs/dbraw/zinc/12/22/51/949122251.db2.gz ZUNXGTCIFBIESE-JXFKEZNVSA-N -1 3 378.436 3.675 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1CCC(C(C)C)CC1 ZINC001574094289 949134042 /nfs/dbraw/zinc/13/40/42/949134042.db2.gz YPEPSJCISFURIP-UHYCVJNDSA-N -1 3 399.539 3.849 20 0 GHADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1CCC(C(C)C)CC1 ZINC001574094289 949134058 /nfs/dbraw/zinc/13/40/58/949134058.db2.gz YPEPSJCISFURIP-UHYCVJNDSA-N -1 3 399.539 3.849 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccncc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575251869 949151772 /nfs/dbraw/zinc/15/17/72/949151772.db2.gz OUBRJUOEVJRYAI-HZPDHXFCSA-N -1 3 398.470 3.910 20 0 GHADHM C[C@@H](NC(=O)[C@H](C)c1ccncc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575251869 949151760 /nfs/dbraw/zinc/15/17/60/949151760.db2.gz OUBRJUOEVJRYAI-HZPDHXFCSA-N -1 3 398.470 3.910 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nnn[n-]2)C1 ZINC001574098486 949161049 /nfs/dbraw/zinc/16/10/49/949161049.db2.gz AWNPSVWJBGYZHJ-ZYHUDNBSSA-N -1 3 377.539 3.523 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCS3)c2-c2nn[n-]n2)C1 ZINC001574098486 949161061 /nfs/dbraw/zinc/16/10/61/949161061.db2.gz AWNPSVWJBGYZHJ-ZYHUDNBSSA-N -1 3 377.539 3.523 20 0 GHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001575515115 949180370 /nfs/dbraw/zinc/18/03/70/949180370.db2.gz GFAOFHQMHAQUQO-SCLBCKFNSA-N -1 3 380.427 3.806 20 0 GHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001575515115 949180382 /nfs/dbraw/zinc/18/03/82/949180382.db2.gz GFAOFHQMHAQUQO-SCLBCKFNSA-N -1 3 380.427 3.806 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nnn[n-]2)C1 ZINC001574100251 949191837 /nfs/dbraw/zinc/19/18/37/949191837.db2.gz RZZGWDPYWRUSEN-DGCLKSJQSA-N -1 3 391.566 3.913 20 0 GHADHM CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCCS3)c2-c2nn[n-]n2)C1 ZINC001574100251 949191848 /nfs/dbraw/zinc/19/18/48/949191848.db2.gz RZZGWDPYWRUSEN-DGCLKSJQSA-N -1 3 391.566 3.913 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)[C@H]1C ZINC001576152665 949261445 /nfs/dbraw/zinc/26/14/45/949261445.db2.gz KDEVYEJYOQIKAF-GUXCAODWSA-N -1 3 394.523 3.738 20 0 GHADHM C[C@@H]1CCC[C@@H](CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)[C@H]1C ZINC001576152665 949261457 /nfs/dbraw/zinc/26/14/57/949261457.db2.gz KDEVYEJYOQIKAF-GUXCAODWSA-N -1 3 394.523 3.738 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589612530 949336197 /nfs/dbraw/zinc/33/61/97/949336197.db2.gz RQWILZRVGHLKKY-BPQIPLTHSA-N -1 3 378.513 3.606 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CC2CCC1CC2 ZINC001575272490 949646036 /nfs/dbraw/zinc/64/60/36/949646036.db2.gz RFVWZWAMMUCPHY-FLAIETJXSA-N -1 3 397.523 3.747 20 0 GHADHM C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CC2CCC1CC2 ZINC001575272490 949646046 /nfs/dbraw/zinc/64/60/46/949646046.db2.gz RFVWZWAMMUCPHY-FLAIETJXSA-N -1 3 397.523 3.747 20 0 GHADHM CCCN(C)[C@@H](CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1 ZINC001589659094 949833670 /nfs/dbraw/zinc/83/36/70/949833670.db2.gz CBKOOISMBXIWIE-FXAWDEMLSA-N -1 3 378.900 3.650 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573825256 949867745 /nfs/dbraw/zinc/86/77/45/949867745.db2.gz OIZXYGGDKQTYHZ-RISCZKNCSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573825256 949867758 /nfs/dbraw/zinc/86/77/58/949867758.db2.gz OIZXYGGDKQTYHZ-RISCZKNCSA-N -1 3 385.390 3.771 20 0 GHADHM CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573825917 949895824 /nfs/dbraw/zinc/89/58/24/949895824.db2.gz CJTJZEASBNGQOU-STQMWFEESA-N -1 3 376.530 3.722 20 0 GHADHM CC(C)C[C@H]1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC(C)C)C1 ZINC001574167986 950497634 /nfs/dbraw/zinc/49/76/34/950497634.db2.gz MKYDMNMTKLXRRG-MRXNPFEDSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)C[C@H]1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC(C)C)C1 ZINC001574167986 950497649 /nfs/dbraw/zinc/49/76/49/950497649.db2.gz MKYDMNMTKLXRRG-MRXNPFEDSA-N -1 3 394.527 3.654 20 0 GHADHM CC(C)(C)Oc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001573876208 950662304 /nfs/dbraw/zinc/66/23/04/950662304.db2.gz FFQGDPWAJFKGEH-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM CC(C)(C)Oc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001573876208 950662321 /nfs/dbraw/zinc/66/23/21/950662321.db2.gz FFQGDPWAJFKGEH-UHFFFAOYSA-N -1 3 384.415 3.505 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001574519864 950698789 /nfs/dbraw/zinc/69/87/89/950698789.db2.gz JBNKHZUQFZXLNF-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001574519864 950698800 /nfs/dbraw/zinc/69/88/00/950698800.db2.gz JBNKHZUQFZXLNF-LLVKDONJSA-N -1 3 386.253 3.762 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001573881964 950758161 /nfs/dbraw/zinc/75/81/61/950758161.db2.gz LOLDRNARTLFGFC-UHFFFAOYSA-N -1 3 376.464 3.975 20 0 GHADHM CC(C)(C)c1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001573881964 950758180 /nfs/dbraw/zinc/75/81/80/950758180.db2.gz LOLDRNARTLFGFC-UHFFFAOYSA-N -1 3 376.464 3.975 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(Cl)c(F)c1 ZINC001573888189 950863648 /nfs/dbraw/zinc/86/36/48/950863648.db2.gz ROJCJLREWKNJPX-UHFFFAOYSA-N -1 3 390.850 3.787 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(Cl)c(F)c1 ZINC001573888189 950863660 /nfs/dbraw/zinc/86/36/60/950863660.db2.gz ROJCJLREWKNJPX-UHFFFAOYSA-N -1 3 390.850 3.787 20 0 GHADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001575190419 952461178 /nfs/dbraw/zinc/46/11/78/952461178.db2.gz SDBOGSVQDDFGJR-INIZCTEOSA-N -1 3 391.519 3.702 20 0 GHADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001575190419 952461183 /nfs/dbraw/zinc/46/11/83/952461183.db2.gz SDBOGSVQDDFGJR-INIZCTEOSA-N -1 3 391.519 3.702 20 0 GHADHM O=C([O-])[C@H]1CCCN(c2ccc(CN(Cc3ccc(O)cc3)CC3CC3)o2)C1 ZINC001594918568 954783679 /nfs/dbraw/zinc/78/36/79/954783679.db2.gz VAWXDBVKADACIQ-SFHVURJKSA-N -1 3 384.476 3.698 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccsc1 ZINC001341345586 957979695 /nfs/dbraw/zinc/97/96/95/957979695.db2.gz VHPPGZRRTKLVNK-SJORKVTESA-N -1 3 381.542 3.560 20 0 GHADHM COc1ccc(-c2cnc(CN3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594071362 958188474 /nfs/dbraw/zinc/18/84/74/958188474.db2.gz WLKWAZDVXKJSHO-RBUKOAKNSA-N -1 3 378.428 3.650 20 0 GHADHM C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549035517 958242812 /nfs/dbraw/zinc/24/28/12/958242812.db2.gz GAMVPDFNJXMWCT-QXCFHYIPSA-N -1 3 398.528 3.600 20 0 GHADHM Cc1ccc(N2CCC[C@@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594368369 958511048 /nfs/dbraw/zinc/51/10/48/958511048.db2.gz QPHHFLGVSSJCNM-RTBURBONSA-N -1 3 397.519 3.648 20 0 GHADHM Cc1cc(C)c(N2CC[C@H](N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC001574322092 960829760 /nfs/dbraw/zinc/82/97/60/960829760.db2.gz MYSWTHGVYXROAF-HBMCJLEFSA-N -1 3 392.499 3.517 20 0 GHADHM O=C([O-])[C@]1(NC(=O)CC/C=C/c2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001345074321 962220979 /nfs/dbraw/zinc/22/09/79/962220979.db2.gz JNRXOKGIZRNXGF-SZIFGRNDSA-N -1 3 392.499 3.716 20 0 GHADHM O=C([N-][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)C1(O)CCC1 ZINC001625793348 1014171603 /nfs/dbraw/zinc/17/16/03/1014171603.db2.gz WEJJQQLFTIXCHE-CYBMUJFWSA-N -1 3 392.215 3.706 20 0 GHADHM CC(C)Oc1c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001591747679 975796220 /nfs/dbraw/zinc/79/62/20/975796220.db2.gz WLWFAUPCFSELSZ-MJGOQNOKSA-N -1 3 397.475 3.739 20 0 GHADHM CC(C)Oc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC001591780999 975949134 /nfs/dbraw/zinc/94/91/34/975949134.db2.gz PNUQUTJBQKOHRT-FZMZJTMJSA-N -1 3 389.370 3.858 20 0 GHADHM C[C@@](CC(=O)[O-])(NCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC001592329114 977753587 /nfs/dbraw/zinc/75/35/87/977753587.db2.gz DAFYCEDXRXOQTR-KRWDZBQOSA-N -1 3 379.254 3.837 20 0 GHADHM O=C([O-])c1ccsc1N1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000833341294 979165262 /nfs/dbraw/zinc/16/52/62/979165262.db2.gz MOHDCPAAQOBIJM-IAGOWNOFSA-N -1 3 388.464 3.822 20 0 GHADHM CC(C)(C)OC(=O)N1CCc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000849231363 979489243 /nfs/dbraw/zinc/48/92/43/979489243.db2.gz CGPIFXHGYSWBNR-UHFFFAOYSA-N -1 3 396.487 3.968 20 0 GHADHM CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001595368346 980826224 /nfs/dbraw/zinc/82/62/24/980826224.db2.gz HATWKQLATDERPK-NRFANRHFSA-N -1 3 376.497 3.924 20 0 GHADHM COc1cc(OC)cc(OCCCNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001545674004 1014800086 /nfs/dbraw/zinc/80/00/86/1014800086.db2.gz SONKSSKAJQKQJW-UHFFFAOYSA-N -1 3 387.457 3.823 20 0 GHADHM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc([O-])cc(Br)c1 ZINC001626073564 1014854798 /nfs/dbraw/zinc/85/47/98/1014854798.db2.gz TZLUSQWLROKJFI-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CCCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001595846265 982772155 /nfs/dbraw/zinc/77/21/55/982772155.db2.gz OZUJPMGQTVSJFE-RTBURBONSA-N -1 3 388.508 3.773 20 0 GHADHM CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccsc1 ZINC001596254105 983660619 /nfs/dbraw/zinc/66/06/19/983660619.db2.gz AREMFLWNDAEMDB-QGZVFWFLSA-N -1 3 375.494 3.959 20 0 GHADHM CCN1CCCN(C(=O)Nc2c(OCc3ccccc3)cccc2C(=O)[O-])CC1 ZINC001596425739 984076481 /nfs/dbraw/zinc/07/64/81/984076481.db2.gz JOPKNYAFMQRAQX-UHFFFAOYSA-N -1 3 397.475 3.523 20 0 GHADHM CCN1CCN(c2ccc(Nc3cc(C(F)(F)F)c(C(=O)[O-])cn3)cc2)CC1 ZINC001596442470 984137453 /nfs/dbraw/zinc/13/74/53/984137453.db2.gz VQJOYAYOWPMZCJ-UHFFFAOYSA-N -1 3 394.397 3.684 20 0 GHADHM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)[C@H]1C ZINC001596568828 984456851 /nfs/dbraw/zinc/45/68/51/984456851.db2.gz ONMSFFNEJDJTMH-KHSSZTOVSA-N -1 3 397.899 3.715 20 0 GHADHM C[Si](C)(C)c1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC001599940115 985444185 /nfs/dbraw/zinc/44/41/85/985444185.db2.gz VHCAPPXCVOVUCZ-UHFFFAOYSA-N -1 3 377.507 3.987 20 0 GHADHM CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)CC(C)(C)CC(=O)[O-] ZINC001597042660 986495149 /nfs/dbraw/zinc/49/51/49/986495149.db2.gz YNSWNMQJPORXRS-INIZCTEOSA-N -1 3 377.529 3.529 20 0 GHADHM CC(C)(C)OC(=O)CCNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001589878344 988548369 /nfs/dbraw/zinc/54/83/69/988548369.db2.gz PGHDJNOSWHBPBB-UHFFFAOYSA-N -1 3 385.460 3.785 20 0 GHADHM CC(C)(C)OC(=O)N1C[C@H](NCc2csc(C(=O)[O-])c2)Cc2ccccc21 ZINC001589929539 988686900 /nfs/dbraw/zinc/68/69/00/988686900.db2.gz XMRAGFWXDYEZNG-OAHLLOKOSA-N -1 3 388.489 3.902 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001590013034 988973739 /nfs/dbraw/zinc/97/37/39/988973739.db2.gz RWHYAGNUHRBPGG-AWEZNQCLSA-N -1 3 392.471 3.529 20 0 GHADHM CC(C)(C)OC(=O)NCc1ccccc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC001590229184 989600224 /nfs/dbraw/zinc/60/02/24/989600224.db2.gz GAQIAEQUCFTJEJ-MRXNPFEDSA-N -1 3 376.478 3.688 20 0 GHADHM CC(C)(C)OC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC001590314773 989743535 /nfs/dbraw/zinc/74/35/35/989743535.db2.gz KLUFCFRRCAHBIO-LJQANCHMSA-N -1 3 398.459 3.884 20 0 GHADHM CC(C)[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCCS3)no2)ccc1F ZINC000545102480 1015535233 /nfs/dbraw/zinc/53/52/33/1015535233.db2.gz HIIZKIHQYQDCRU-CYBMUJFWSA-N -1 3 385.486 3.521 20 0 GHADHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC001598067490 990359383 /nfs/dbraw/zinc/35/93/83/990359383.db2.gz XHVWGYIGKMMCHY-SFHVURJKSA-N -1 3 388.508 3.634 20 0 GHADHM CN(C)CCN(Cc1ccsc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001598228807 990923546 /nfs/dbraw/zinc/92/35/46/990923546.db2.gz ARXUWMMLONMIJF-UHFFFAOYSA-N -1 3 381.885 3.695 20 0 GHADHM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccccc3C(C)C)cc2)n1 ZINC000468342496 1015602756 /nfs/dbraw/zinc/60/27/56/1015602756.db2.gz SIKZLTHDHVYZQO-UHFFFAOYSA-N -1 3 387.461 3.881 20 0 GHADHM COC(=O)C1(c2ccccc2)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468352779 1015614081 /nfs/dbraw/zinc/61/40/81/1015614081.db2.gz YFBZIKWJLRBNSA-UHFFFAOYSA-N -1 3 399.462 3.587 20 0 GHADHM CC(C)[C@H](O)[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1 ZINC001591035686 991355599 /nfs/dbraw/zinc/35/55/99/991355599.db2.gz FGZSSUZNQALYDW-ROUUACIJSA-N -1 3 392.293 3.995 20 0 GHADHM COc1ccccc1C[C@H]1CCCN1Cc1oc(Br)cc1C(=O)[O-] ZINC001599710112 991356831 /nfs/dbraw/zinc/35/68/31/991356831.db2.gz HRCUUDZULOLXBH-CYBMUJFWSA-N -1 3 394.265 3.956 20 0 GHADHM CN(C)c1ccccc1CN[C@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001598342038 991407059 /nfs/dbraw/zinc/40/70/59/991407059.db2.gz DVWANZBINMKNEB-LJQANCHMSA-N -1 3 391.309 3.995 20 0 GHADHM Cn1cnnc1Sc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468381439 1015648007 /nfs/dbraw/zinc/64/80/07/1015648007.db2.gz HPDOSSFCFLEMKE-UHFFFAOYSA-N -1 3 386.452 3.772 20 0 GHADHM CN(CCNC(=O)Nc1cccc(SCCC(=O)[O-])c1)Cc1ccccc1 ZINC001598492977 992327503 /nfs/dbraw/zinc/32/75/03/992327503.db2.gz VSBVVWASYZAYBL-UHFFFAOYSA-N -1 3 387.505 3.507 20 0 GHADHM CN(Cc1ccccc1)Cc1cccc(C(=O)OCc2cccc(C(=O)[O-])n2)c1 ZINC001598529699 992763900 /nfs/dbraw/zinc/76/39/00/992763900.db2.gz JWKBWZIDHORJIT-UHFFFAOYSA-N -1 3 390.439 3.769 20 0 GHADHM CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC001598584698 993364478 /nfs/dbraw/zinc/36/44/78/993364478.db2.gz BGPXBJWKFHNGGA-UHFFFAOYSA-N -1 3 385.439 3.652 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000468545349 1015792420 /nfs/dbraw/zinc/79/24/20/1015792420.db2.gz YIFXUHZVUKGDPW-QGZVFWFLSA-N -1 3 384.451 3.731 20 0 GHADHM CCC(CC)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1 ZINC000545361481 1015810935 /nfs/dbraw/zinc/81/09/35/1015810935.db2.gz CTIMGANMOUOSJI-UHFFFAOYSA-N -1 3 395.463 3.580 20 0 GHADHM CCC(CC)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1 ZINC000545361481 1015810945 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3 394.496 3.590 20 0 GHADHM C[C@H](NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(Br)cn1 ZINC001593272107 994609199 /nfs/dbraw/zinc/60/91/99/994609199.db2.gz PEDGINPEGXUUBG-FAFAAHBOSA-N -1 3 391.265 3.672 20 0 GHADHM COc1cccc([C@H](O)C2CCN([C@H](C(=O)[O-])c3ccccc3Cl)CC2)c1 ZINC001599660056 994642513 /nfs/dbraw/zinc/64/25/13/994642513.db2.gz PTVCEQZXUXACHX-VQTJNVASSA-N -1 3 389.879 3.920 20 0 GHADHM C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(OCC(=O)[O-])cc1 ZINC001593292400 994676152 /nfs/dbraw/zinc/67/61/52/994676152.db2.gz KQINSDAHZJSZJC-ZDUSSCGKSA-N -1 3 391.851 3.816 20 0 GHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1F)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001593296466 994696909 /nfs/dbraw/zinc/69/69/09/994696909.db2.gz MILSRPFEJXPKCX-SUMWQHHRSA-N -1 3 380.460 3.792 20 0 GHADHM C[C@@](O)(CNCc1ccc(C(=O)[O-])cc1Br)c1ccccc1Cl ZINC001593411878 995193575 /nfs/dbraw/zinc/19/35/75/995193575.db2.gz SPBNRCGZSGAYSZ-QGZVFWFLSA-N -1 3 398.684 3.798 20 0 GHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1nccn1CCc1ccccc1 ZINC000468761872 1016004471 /nfs/dbraw/zinc/00/44/71/1016004471.db2.gz AHZNAMJZKPCAFT-UHFFFAOYSA-N -1 3 381.451 3.610 20 0 GHADHM C[C@@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001593714092 996227661 /nfs/dbraw/zinc/22/76/61/996227661.db2.gz SPEYDTZHUSGSKA-KRWDZBQOSA-N -1 3 375.472 3.812 20 0 GHADHM COc1ccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1Br ZINC001599508876 997261603 /nfs/dbraw/zinc/26/16/03/997261603.db2.gz XSFYGNJUHQMKGN-LBPRGKRZSA-N -1 3 394.265 3.772 20 0 GHADHM COc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)ccc1OCc1ccccc1 ZINC001599415755 997506185 /nfs/dbraw/zinc/50/61/85/997506185.db2.gz RHYJVTKEDMTFSR-UHFFFAOYSA-N -1 3 394.471 3.909 20 0 GHADHM COC(=O)c1cc(CN2CCC(Cc3ccc(F)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598932199 997784252 /nfs/dbraw/zinc/78/42/52/997784252.db2.gz SRBDVOQCANPAMY-UHFFFAOYSA-N -1 3 385.435 3.765 20 0 GHADHM COc1cc(Br)cc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)c1 ZINC001599346634 998018468 /nfs/dbraw/zinc/01/84/68/998018468.db2.gz NFWOHSIMCPGPIZ-UHFFFAOYSA-N -1 3 379.254 3.651 20 0 GHADHM COc1cc(OC)cc([C@H](NCc2cc(Br)ccc2C)C(=O)[O-])c1 ZINC001599452075 998121892 /nfs/dbraw/zinc/12/18/92/998121892.db2.gz DKRMOKAKRALFDJ-KRWDZBQOSA-N -1 3 394.265 3.690 20 0 GHADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC001154495522 1032142723 /nfs/dbraw/zinc/14/27/23/1032142723.db2.gz FASJPTLNRWDYNF-HIFRSBDPSA-N -1 3 395.459 3.691 20 0 GHADHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCCC(F)(F)F)c1 ZINC001599475396 998523536 /nfs/dbraw/zinc/52/35/36/998523536.db2.gz XTOSACAZEQZDNA-LBPRGKRZSA-N -1 3 384.192 3.858 20 0 GHADHM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1NCc1c(F)c(F)c(Br)c(F)c1F ZINC001594185790 998719626 /nfs/dbraw/zinc/71/96/26/998719626.db2.gz RTZZHPHJBBSOAN-FJXKBIBVSA-N -1 3 398.194 3.985 20 0 GHADHM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC001594300948 999162084 /nfs/dbraw/zinc/16/20/84/999162084.db2.gz YPLIUBNYSVIDRI-QPSSLKIMSA-N -1 3 387.307 3.671 20 0 GHADHM C[C@@H]1CCc2c(sc(NC(=O)CN(C3CCC3)C3CCC3)c2C(=O)[O-])C1 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BMADAMNJYBPGDU-UHFFFAOYSA-N -1 3 384.439 3.768 20 0 GHADHM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000195608250 1032267061 /nfs/dbraw/zinc/26/70/61/1032267061.db2.gz KQJGTCDYBLAUPB-GHMZBOCLSA-N -1 3 394.946 3.516 20 0 GHADHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC001154885760 1032326591 /nfs/dbraw/zinc/32/65/91/1032326591.db2.gz MWSPAVOOIPLXGC-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC001154885760 1032326603 /nfs/dbraw/zinc/32/66/03/1032326603.db2.gz MWSPAVOOIPLXGC-UHFFFAOYSA-N -1 3 398.419 3.577 20 0 GHADHM CC(C)C[C@H](Oc1cccc([O-])c1I)C(=O)OC(C)C ZINC001227379739 1032396075 /nfs/dbraw/zinc/39/60/75/1032396075.db2.gz IEWPEINCJXKALV-ZDUSSCGKSA-N -1 3 392.233 3.742 20 0 GHADHM CC/C=C\CCOC(=O)[C@@H](C)Oc1cccc([O-])c1I ZINC001227382328 1032396992 /nfs/dbraw/zinc/39/69/92/1032396992.db2.gz UZWGFPOZZWDGJM-DOGVGXBMSA-N -1 3 390.217 3.664 20 0 GHADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(Cc2cccc(F)c2)CCCCC1 ZINC001155063793 1032399230 /nfs/dbraw/zinc/39/92/30/1032399230.db2.gz VMPZUORRPKOWMO-UHFFFAOYSA-N -1 3 384.377 3.772 20 0 GHADHM C[C@@H](Oc1c([O-])cc(Br)cc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001227588339 1032475080 /nfs/dbraw/zinc/47/50/80/1032475080.db2.gz RAXSSUZVODZNED-SECBINFHSA-N -1 3 390.249 3.928 20 0 GHADHM COc1cccc(C(=O)C(F)(F)F)c1NC(=O)c1cnc2cccc([O-])c2c1 ZINC001155541421 1032574879 /nfs/dbraw/zinc/57/48/79/1032574879.db2.gz XADFAODLWLLTFG-UHFFFAOYSA-N -1 3 390.317 3.946 20 0 GHADHM COc1ccc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000777626156 1017417741 /nfs/dbraw/zinc/41/77/41/1017417741.db2.gz QBQGGTFHKABMKZ-YJBOKZPZSA-N -1 3 390.505 3.647 20 0 GHADHM CC(C)Oc1ccc(COc2[n-]c(=O)nc3cccnc32)cc1Br ZINC001228004440 1032734690 /nfs/dbraw/zinc/73/46/90/1032734690.db2.gz LUAAOQAVDYASEG-UHFFFAOYSA-N -1 3 390.237 3.859 20 0 GHADHM O=c1nc2cccnc2c(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)[n-]1 ZINC001228010061 1032735879 /nfs/dbraw/zinc/73/58/79/1032735879.db2.gz UNESJPLSZSGVPZ-UHFFFAOYSA-N -1 3 390.365 3.797 20 0 GHADHM O=S(=O)(CCc1ccccc1Br)[N-]c1cccc2cc[nH]c21 ZINC000567412567 1019289834 /nfs/dbraw/zinc/28/98/34/1019289834.db2.gz WTUORXBBSXOZEI-UHFFFAOYSA-N -1 3 379.279 3.915 20 0 GHADHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000567764015 1019340087 /nfs/dbraw/zinc/34/00/87/1019340087.db2.gz YXNGPCQTBWCARR-OAQYLSRUSA-N -1 3 378.302 3.673 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1C ZINC000576072490 1019977287 /nfs/dbraw/zinc/97/72/87/1019977287.db2.gz KHNPOBNRTFRAJQ-PMACEKPBSA-N -1 3 375.490 3.787 20 0 GHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1nc3c(s1)CCC3(C)C)c2=O ZINC000576623978 1020045813 /nfs/dbraw/zinc/04/58/13/1020045813.db2.gz XTDVURROSGVGRK-UHFFFAOYSA-N -1 3 387.436 3.608 20 0 GHADHM CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000577304680 1020163411 /nfs/dbraw/zinc/16/34/11/1020163411.db2.gz NLVNCHUKVAATEF-KRWDZBQOSA-N -1 3 384.480 3.969 20 0 GHADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(OC[C@H]2CCCO2)c1 ZINC000579266976 1020399144 /nfs/dbraw/zinc/39/91/44/1020399144.db2.gz MTBYOBFJTCRXHT-MRXNPFEDSA-N -1 3 375.852 3.842 20 0 GHADHM Cc1cc(C)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)c1Br ZINC000628031945 1020650035 /nfs/dbraw/zinc/65/00/35/1020650035.db2.gz DHPBGZZRGHZHIE-CYBMUJFWSA-N -1 3 378.270 3.623 20 0 GHADHM COc1cc(F)cc(OC)c1CNC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000630452179 1020823804 /nfs/dbraw/zinc/82/38/04/1020823804.db2.gz VYTQBKQIWPJEHB-ZDUSSCGKSA-N -1 3 381.831 3.529 20 0 GHADHM CSc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1Br ZINC000630522981 1020828951 /nfs/dbraw/zinc/82/89/51/1020828951.db2.gz DKCNXVKZCZTVOP-QMMMGPOBSA-N -1 3 383.189 3.548 20 0 GHADHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(F)F)o3)c2)CC1 ZINC000634657196 1020953976 /nfs/dbraw/zinc/95/39/76/1020953976.db2.gz ZPDPIGUOUDYUIT-UHFFFAOYSA-N -1 3 399.463 3.548 20 0 GHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2nnc(-c3ccccc3F)n2c1 ZINC001156268474 1032949959 /nfs/dbraw/zinc/94/99/59/1032949959.db2.gz GMCRZCIRJBUTKP-UHFFFAOYSA-N -1 3 390.374 3.696 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000647365773 1021144935 /nfs/dbraw/zinc/14/49/35/1021144935.db2.gz IFRLUSWSXUYRGM-HONMWMINSA-N -1 3 379.819 3.747 20 0 GHADHM O=c1[nH][n-]cc1CCCNc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001156285502 1032958216 /nfs/dbraw/zinc/95/82/16/1032958216.db2.gz MRNABLBHCFLCFT-QGZVFWFLSA-N -1 3 387.443 3.860 20 0 GHADHM O=C(c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccncc2[O-])CC1 ZINC001140279121 1021305963 /nfs/dbraw/zinc/30/59/63/1021305963.db2.gz IJBHGKTWXWBWAS-UHFFFAOYSA-N -1 3 380.366 3.781 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cccnc2)Cc2ccncc2[O-])C1 ZINC001140282343 1021311498 /nfs/dbraw/zinc/31/14/98/1021311498.db2.gz UPKMGKPJYVSGFE-IBGZPJMESA-N -1 3 398.507 3.584 20 0 GHADHM CN(C)C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(Cl)cc1 ZINC000802377240 1021502034 /nfs/dbraw/zinc/50/20/34/1021502034.db2.gz YPUWGCRSLSTTID-HNNXBMFYSA-N -1 3 375.881 3.803 20 0 GHADHM CCCCOc1ncc(Nc2nc[n-]c(=O)c2CC(OCC)OCC)cc1C ZINC001203040447 1021770484 /nfs/dbraw/zinc/77/04/84/1021770484.db2.gz HMNVXQYEENIADB-UHFFFAOYSA-N -1 3 390.484 3.750 20 0 GHADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001228623279 1033012462 /nfs/dbraw/zinc/01/24/62/1033012462.db2.gz QUXPJVUBDRDHCJ-BBRMVZONSA-N -1 3 389.448 3.831 20 0 GHADHM O=C(Nc1cnc2c(c1)COCC2)c1cc(OCc2ccccc2)ccc1[O-] ZINC000679120723 1021961490 /nfs/dbraw/zinc/96/14/90/1021961490.db2.gz IYVNFDSFEPNXHQ-UHFFFAOYSA-N -1 3 376.412 3.691 20 0 GHADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680107233 1022094175 /nfs/dbraw/zinc/09/41/75/1022094175.db2.gz POYDGZINGXHZEK-CYBMUJFWSA-N -1 3 393.333 3.537 20 0 GHADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1scnc1Br ZINC000753997395 1022414692 /nfs/dbraw/zinc/41/46/92/1022414692.db2.gz CQDJCSLAEBHTAH-UHFFFAOYSA-N -1 3 375.269 3.705 20 0 GHADHM COc1cc(C(=O)OCc2cccc(SC(=O)N(C)C)c2)cc(OC)c1[O-] ZINC000754271614 1022574504 /nfs/dbraw/zinc/57/45/04/1022574504.db2.gz LCHBELLAPFDLGR-UHFFFAOYSA-N -1 3 391.445 3.540 20 0 GHADHM COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc(OC)c1[O-] ZINC000754276428 1022576876 /nfs/dbraw/zinc/57/68/76/1022576876.db2.gz NRXMPIOFUFNQKF-ZDUSSCGKSA-N -1 3 395.411 3.747 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc(OC)c1[O-] ZINC000754281328 1022580880 /nfs/dbraw/zinc/58/08/80/1022580880.db2.gz RDZYUIOLKATBKE-GFCCVEGCSA-N -1 3 384.388 3.686 20 0 GHADHM CCOC(=O)Cc1cnc(=S)[n-]c1OCc1ccc(C)cc1OC(C)C ZINC001228717246 1033061447 /nfs/dbraw/zinc/06/14/47/1033061447.db2.gz XBHOCEPNNKZMLX-UHFFFAOYSA-N -1 3 376.478 3.546 20 0 GHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000836247744 1022767606 /nfs/dbraw/zinc/76/76/06/1022767606.db2.gz CZFJOABTRDDPLD-UHFFFAOYSA-N -1 3 378.425 3.513 20 0 GHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000836247744 1022767614 /nfs/dbraw/zinc/76/76/14/1022767614.db2.gz CZFJOABTRDDPLD-UHFFFAOYSA-N -1 3 378.425 3.513 20 0 GHADHM [O-]c1ccc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c(F)c1F ZINC001140889504 1022807541 /nfs/dbraw/zinc/80/75/41/1022807541.db2.gz TZPMVKHMAMKFHA-UHFFFAOYSA-N -1 3 385.389 3.867 20 0 GHADHM CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140890897 1022811509 /nfs/dbraw/zinc/81/15/09/1022811509.db2.gz PFORLWICLBQWER-QGZVFWFLSA-N -1 3 386.442 3.651 20 0 GHADHM CCC[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000754686791 1022831341 /nfs/dbraw/zinc/83/13/41/1022831341.db2.gz OVOYXBQSRDSUCW-OAHLLOKOSA-N -1 3 384.517 3.697 20 0 GHADHM CC(C)(C)OC(=O)NC1CC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140988310 1023091333 /nfs/dbraw/zinc/09/13/33/1023091333.db2.gz WKKFWLKCWHVOIH-UHFFFAOYSA-N -1 3 382.451 3.940 20 0 GHADHM COCCOC(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000755148778 1023096441 /nfs/dbraw/zinc/09/64/41/1023096441.db2.gz PIAZSUHYVOJBNY-UHFFFAOYSA-N -1 3 384.432 3.718 20 0 GHADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000755374745 1023220112 /nfs/dbraw/zinc/22/01/12/1023220112.db2.gz JJGWTMOSCRENFB-NWDGAFQWSA-N -1 3 390.402 3.803 20 0 GHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(Br)n1 ZINC000755430635 1023246734 /nfs/dbraw/zinc/24/67/34/1023246734.db2.gz VORIZKGBZYCGED-UHFFFAOYSA-N -1 3 379.638 3.746 20 0 GHADHM Cc1nc(NC(=O)[N-]OCC(C)(C)O)sc1Cc1cccc(Cl)c1F ZINC000836758921 1023344031 /nfs/dbraw/zinc/34/40/31/1023344031.db2.gz FQUVJQYXBZQPHZ-UHFFFAOYSA-N -1 3 387.864 3.659 20 0 GHADHM Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)c1[O-] ZINC001141045214 1023377271 /nfs/dbraw/zinc/37/72/71/1023377271.db2.gz JWNXTOGJIYLHTG-NSHDSACASA-N -1 3 393.365 3.875 20 0 GHADHM Cc1csc(COC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)n1 ZINC000756369470 1023613121 /nfs/dbraw/zinc/61/31/21/1023613121.db2.gz DBCOVYOKQPDTFM-SFHVURJKSA-N -1 3 396.468 3.762 20 0 GHADHM CC[C@@](C)(COc1ncccc1Cl)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756721042 1023788781 /nfs/dbraw/zinc/78/87/81/1023788781.db2.gz QOTFCPZVAXSTNU-AWEZNQCLSA-N -1 3 375.828 3.647 20 0 GHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000837242518 1024278409 /nfs/dbraw/zinc/27/84/09/1024278409.db2.gz VYNCMOVZMBHUPB-GDBMZVCRSA-N -1 3 376.497 3.578 20 0 GHADHM O=c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2cc(Cl)c([O-])cc2o1 ZINC000830966525 1024279515 /nfs/dbraw/zinc/27/95/15/1024279515.db2.gz ACJZMFYWTZGEEZ-XKQJLSEDSA-N -1 3 377.868 3.668 20 0 GHADHM O=C([O-])Cn1cc(CN2CCC(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC001138187232 1024329943 /nfs/dbraw/zinc/32/99/43/1024329943.db2.gz BOTMGJCDGSHNQN-UHFFFAOYSA-N -1 3 376.456 3.821 20 0 GHADHM O=C(COc1ccc(Cl)cc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301778 1024464091 /nfs/dbraw/zinc/46/40/91/1024464091.db2.gz AYEYZVPWAUUPFU-UHFFFAOYSA-N -1 3 396.628 3.702 20 0 GHADHM Cc1nn(C(C)C)c(C)c1CC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837740728 1024674527 /nfs/dbraw/zinc/67/45/27/1024674527.db2.gz KHKGOHJUBPGMKS-UHFFFAOYSA-N -1 3 380.448 3.529 20 0 GHADHM O=C(c1ccc(Br)cc1)C1CCN(Cc2ncccc2[O-])CC1 ZINC001138395200 1024772259 /nfs/dbraw/zinc/77/22/59/1024772259.db2.gz WSHSBSRDAJXGDK-UHFFFAOYSA-N -1 3 375.266 3.645 20 0 GHADHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001138556745 1025017005 /nfs/dbraw/zinc/01/70/05/1025017005.db2.gz HUNNVSJGHDNGEX-KRWDZBQOSA-N -1 3 383.469 3.853 20 0 GHADHM CN(C)C(=O)c1cccc(Nc2ccc(C(=O)N3CCCCC3)cc2F)c1[O-] ZINC001213003913 1033250210 /nfs/dbraw/zinc/25/02/10/1033250210.db2.gz TUINIUPBFYYCJK-UHFFFAOYSA-N -1 3 385.439 3.603 20 0 GHADHM Cc1cccc([O-])c1C(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001141474065 1025160592 /nfs/dbraw/zinc/16/05/92/1025160592.db2.gz QWKNNMKXJDRVMI-SFHVURJKSA-N -1 3 398.503 3.909 20 0 GHADHM O=C([N-]Cc1noc2c1CCCC2)C(F)(F)c1ccccc1Br ZINC000832112609 1025230745 /nfs/dbraw/zinc/23/07/45/1025230745.db2.gz YRFQCRTWWVTGON-UHFFFAOYSA-N -1 3 385.208 3.724 20 0 GHADHM [O-]c1cccc(CNC[C@@H](O)c2ccccc2C(F)(F)F)c1Br ZINC000838916998 1025443359 /nfs/dbraw/zinc/44/33/59/1025443359.db2.gz CEJUEDWGADWAHC-CQSZACIVSA-N -1 3 390.199 3.997 20 0 GHADHM O=C([O-])COc1ccc(CN2CCC3(CC2)OCc2ccc(Cl)cc23)cc1 ZINC001138926346 1025593058 /nfs/dbraw/zinc/59/30/58/1025593058.db2.gz FUBCSNVCJAMFBH-UHFFFAOYSA-N -1 3 387.863 3.825 20 0 GHADHM CC[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001461028405 1069346778 /nfs/dbraw/zinc/34/67/78/1069346778.db2.gz YQCSRZKGFHYCCX-VNQPRFMTSA-N -1 3 382.426 3.839 20 0 GHADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])CC(c2ccccc2)=NO1 ZINC001141622240 1025930107 /nfs/dbraw/zinc/93/01/07/1025930107.db2.gz IBQBMDQEYSDYGW-QGZVFWFLSA-N -1 3 375.222 3.677 20 0 GHADHM O=C(Cc1c[nH]c2cnc(Cl)cc12)Nc1ccc(Br)cc1[O-] ZINC001141622391 1025931402 /nfs/dbraw/zinc/93/14/02/1025931402.db2.gz JIZLGKGTFIDWKT-UHFFFAOYSA-N -1 3 380.629 3.866 20 0 GHADHM CCCCc1ccc(N2C[C@H](C(=O)Nc3cccc(C(C)=O)c3[O-])CC2=O)cc1 ZINC001141649514 1026055411 /nfs/dbraw/zinc/05/54/11/1026055411.db2.gz OWZBMLLXZQMOLD-QGZVFWFLSA-N -1 3 394.471 3.929 20 0 GHADHM CC(=O)c1ccc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1[O-] ZINC000839697321 1026209551 /nfs/dbraw/zinc/20/95/51/1026209551.db2.gz FIBWNKKXKQXIBG-UHFFFAOYSA-N -1 3 390.480 3.503 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(Br)c2C)c1 ZINC001163677908 1026279673 /nfs/dbraw/zinc/27/96/73/1026279673.db2.gz OGZKCNKSGBGCTK-UHFFFAOYSA-N -1 3 389.249 3.518 20 0 GHADHM O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)c1cc(=O)[n-]cn1 ZINC001164542818 1026548989 /nfs/dbraw/zinc/54/89/89/1026548989.db2.gz IAJGDJKIQRTEQF-UHFFFAOYSA-N -1 3 386.205 3.989 20 0 GHADHM C[C@@H]1Cc2cccc(Br)c2CN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139858058 1026671714 /nfs/dbraw/zinc/67/17/14/1026671714.db2.gz VERBYNPGUCKLFU-GFCCVEGCSA-N -1 3 384.281 3.576 20 0 GHADHM Cc1csc([C@@H]([N-]S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)C2CC2)n1 ZINC001210143730 1027357093 /nfs/dbraw/zinc/35/70/93/1027357093.db2.gz WHQDTTICYMZWFW-INIZCTEOSA-N -1 3 396.921 3.909 20 0 GHADHM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccc(Cl)cc1 ZINC001210172509 1027371088 /nfs/dbraw/zinc/37/10/88/1027371088.db2.gz NUXSTPHGPXZEDC-HNNXBMFYSA-N -1 3 375.824 3.593 20 0 GHADHM [O-]c1c(Cl)cccc1Nc1cc(CO)ccc1I ZINC001210222496 1027390947 /nfs/dbraw/zinc/39/09/47/1027390947.db2.gz KJAFKDCLAIXKQM-UHFFFAOYSA-N -1 3 375.593 3.886 20 0 GHADHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(-c2cccc(F)c2)s1 ZINC001141845954 1027421186 /nfs/dbraw/zinc/42/11/86/1027421186.db2.gz JOPVRPSTZUDUPL-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(-c2cccc(F)c2)s1 ZINC001141845954 1027421194 /nfs/dbraw/zinc/42/11/94/1027421194.db2.gz JOPVRPSTZUDUPL-UHFFFAOYSA-N -1 3 379.420 3.910 20 0 GHADHM CCc1cc(OC)ccc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001210716692 1027619734 /nfs/dbraw/zinc/61/97/34/1027619734.db2.gz WDOPZTPUIKDVAM-UHFFFAOYSA-N -1 3 375.277 3.947 20 0 GHADHM CCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1 ZINC001210861399 1027682910 /nfs/dbraw/zinc/68/29/10/1027682910.db2.gz CQBJFSFFCFAKHU-UHFFFAOYSA-N -1 3 396.734 3.970 20 0 GHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c(Br)c1 ZINC001210893852 1027698095 /nfs/dbraw/zinc/69/80/95/1027698095.db2.gz KARSEWHFWSOMBA-ZDUSSCGKSA-N -1 3 398.775 3.975 20 0 GHADHM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001141957296 1027744323 /nfs/dbraw/zinc/74/43/23/1027744323.db2.gz YPKFPBWCKBXFKN-UHFFFAOYSA-N -1 3 382.782 3.759 20 0 GHADHM CC(C)CSCCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001211010371 1027750499 /nfs/dbraw/zinc/75/04/99/1027750499.db2.gz NZPICZOPQMXCOI-UHFFFAOYSA-N -1 3 384.336 3.646 20 0 GHADHM COc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1SC ZINC001141983664 1027813105 /nfs/dbraw/zinc/81/31/05/1027813105.db2.gz CLKNTVKOKSBVAZ-UHFFFAOYSA-N -1 3 376.384 3.789 20 0 GHADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(F)(F)F)c2)c1 ZINC000840918332 1027957094 /nfs/dbraw/zinc/95/70/94/1027957094.db2.gz ZUYFINUHLXBAPM-UHFFFAOYSA-N -1 3 388.411 3.719 20 0 GHADHM O=S(=O)([N-]C[C@]12OCCC[C@H]1C2(F)F)c1cc2cc(Cl)ccc2s1 ZINC001213140652 1028014793 /nfs/dbraw/zinc/01/47/93/1028014793.db2.gz HLSHALVXDFFRGI-OCCSQVGLSA-N -1 3 393.864 3.647 20 0 GHADHM O=C(NC1CCC1)[C@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142111334 1028140724 /nfs/dbraw/zinc/14/07/24/1028140724.db2.gz IBJQZBLHNSPTFS-OAHLLOKOSA-N -1 3 383.319 3.970 20 0 GHADHM [O-]c1c(F)cc(Nc2cc(CO)ccc2I)cc1F ZINC001213388870 1028156797 /nfs/dbraw/zinc/15/67/97/1028156797.db2.gz QNPABAWURKIUDG-UHFFFAOYSA-N -1 3 377.128 3.511 20 0 GHADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cc(Cl)ccc1F ZINC001213404168 1028168060 /nfs/dbraw/zinc/16/80/60/1028168060.db2.gz BSJJMEPYSWNIJJ-UHFFFAOYSA-N -1 3 396.654 3.947 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CCC2)sc1Br ZINC001213499434 1028229415 /nfs/dbraw/zinc/22/94/15/1028229415.db2.gz ZBRQSDJJUSPTQD-NSHDSACASA-N -1 3 394.356 3.589 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2C1 ZINC001213582056 1028278349 /nfs/dbraw/zinc/27/83/49/1028278349.db2.gz MDAKAORGVATSGJ-UHFFFAOYSA-N -1 3 389.304 3.975 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)c2)cc1F ZINC001213601281 1028288994 /nfs/dbraw/zinc/28/89/94/1028288994.db2.gz RSTVGLUAUUDZBI-UHFFFAOYSA-N -1 3 385.432 3.629 20 0 GHADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1C ZINC001213651892 1028310993 /nfs/dbraw/zinc/31/09/93/1028310993.db2.gz MLCOQBIOLQMHLS-JTQLQIEISA-N -1 3 375.824 3.975 20 0 GHADHM CC1(C)CC[C@@H](CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)OC1 ZINC001213888452 1028430639 /nfs/dbraw/zinc/43/06/39/1028430639.db2.gz FDIWQEVHKHLCRK-HNNXBMFYSA-N -1 3 380.535 3.684 20 0 GHADHM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC001213993337 1028498544 /nfs/dbraw/zinc/49/85/44/1028498544.db2.gz PCNUGJLEGSXJFF-UHFFFAOYSA-N -1 3 394.827 3.705 20 0 GHADHM CCC(C)(C)CCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001214056964 1028528388 /nfs/dbraw/zinc/52/83/88/1028528388.db2.gz PVLATFQZKNYNLZ-MGPUTAFESA-N -1 3 381.538 3.698 20 0 GHADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC(C)(C)C2)c1 ZINC001142301528 1028619341 /nfs/dbraw/zinc/61/93/41/1028619341.db2.gz NWUOMPWRGDQJFT-AWEZNQCLSA-N -1 3 385.464 3.887 20 0 GHADHM COC(=O)c1cc(Br)cnc1Nc1c(Cl)ccc([O-])c1F ZINC001214553880 1028790537 /nfs/dbraw/zinc/79/05/37/1028790537.db2.gz FDRQYAVOONOUEW-UHFFFAOYSA-N -1 3 375.581 3.872 20 0 GHADHM COc1cc(Br)cc(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC001215142123 1029055347 /nfs/dbraw/zinc/05/53/47/1029055347.db2.gz MAPFWOXJKSMBQM-UHFFFAOYSA-N -1 3 377.194 3.889 20 0 GHADHM COc1ccc([O-])c(-c2nc(-c3cccc(C(=O)Cn4ccnc4C)c3)no2)c1 ZINC001215155331 1029065785 /nfs/dbraw/zinc/06/57/85/1029065785.db2.gz IQRJFGZVIAZNQF-UHFFFAOYSA-N -1 3 390.399 3.506 20 0 GHADHM Cc1cc(-c2noc(-c3c([O-])cccc3O)n2)ccc1I ZINC001215302112 1029139329 /nfs/dbraw/zinc/13/93/29/1029139329.db2.gz RSQSOJGVULZMPL-UHFFFAOYSA-N -1 3 394.168 3.728 20 0 GHADHM COc1cccc([O-])c1-c1nc(-c2cccc(C(=O)Cn3ccnc3C)c2)no1 ZINC001215325556 1029153717 /nfs/dbraw/zinc/15/37/17/1029153717.db2.gz ZCUDDGVAHHUGLK-UHFFFAOYSA-N -1 3 390.399 3.506 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001215351485 1029167233 /nfs/dbraw/zinc/16/72/33/1029167233.db2.gz DDNHBKKDNNTNGK-MRVPVSSYSA-N -1 3 387.337 3.634 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001215454496 1029216377 /nfs/dbraw/zinc/21/63/77/1029216377.db2.gz CDZKIDLDYXPWIY-UHFFFAOYSA-N -1 3 380.452 3.859 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001215454496 1029216389 /nfs/dbraw/zinc/21/63/89/1029216389.db2.gz CDZKIDLDYXPWIY-UHFFFAOYSA-N -1 3 380.452 3.859 20 0 GHADHM Cc1c(F)c([N-]S(=O)(=O)c2cc(Br)ccc2N)ccc1Cl ZINC001215525875 1029253824 /nfs/dbraw/zinc/25/38/24/1029253824.db2.gz AISHSAPJWPXLGT-UHFFFAOYSA-N -1 3 393.665 3.933 20 0 GHADHM CCOC(=O)c1cc(Nc2cc(F)c([O-])cc2F)n(-c2ccc(F)cc2)n1 ZINC001215571592 1029289290 /nfs/dbraw/zinc/28/92/90/1029289290.db2.gz FAUQMISSJRZYMK-UHFFFAOYSA-N -1 3 377.322 3.916 20 0 GHADHM CC(C)(C)C(=O)Nc1ccccc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001215832801 1029415234 /nfs/dbraw/zinc/41/52/34/1029415234.db2.gz XMKNKRXVEXRKEQ-UHFFFAOYSA-N -1 3 377.408 3.508 20 0 GHADHM c1ccc(COc2cccnc2-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC001216107935 1029526875 /nfs/dbraw/zinc/52/68/75/1029526875.db2.gz KEENLTMMGYXSNM-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM c1ccc(COc2cccnc2-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC001216107935 1029526883 /nfs/dbraw/zinc/52/68/83/1029526883.db2.gz KEENLTMMGYXSNM-UHFFFAOYSA-N -1 3 397.398 3.558 20 0 GHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3(CC(=O)OC(C)(C)C)CCC3)c2)n1 ZINC000842723050 1029534918 /nfs/dbraw/zinc/53/49/18/1029534918.db2.gz BRPBYXSXHUNQFP-UHFFFAOYSA-N -1 3 398.459 3.965 20 0 GHADHM COc1ccc(CN2CCC[C@@]23CCN(CC=C(C)C)C3=O)c(Cl)c1[O-] ZINC001276735875 1029557868 /nfs/dbraw/zinc/55/78/68/1029557868.db2.gz MBQVEJYHWWXLBX-FQEVSTJZSA-N -1 3 378.900 3.587 20 0 GHADHM COc1c(Br)cccc1-c1noc(-c2c([O-])cc(C)cc2O)n1 ZINC001216267940 1029589468 /nfs/dbraw/zinc/58/94/68/1029589468.db2.gz XPXFWDYMJIDZIA-UHFFFAOYSA-N -1 3 377.194 3.894 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1-c1cc(F)c([O-])cc1F ZINC001222082421 1029959628 /nfs/dbraw/zinc/95/96/28/1029959628.db2.gz DCPZIRYZNPBPTC-SFHVURJKSA-N -1 3 388.370 3.528 20 0 GHADHM [O-]c1ccc(Br)c(-c2nc(-c3ccc4c(c3)OCCO4)no2)c1 ZINC001216847044 1029961771 /nfs/dbraw/zinc/96/17/71/1029961771.db2.gz MJPZSHWMZJWPNU-UHFFFAOYSA-N -1 3 375.178 3.643 20 0 GHADHM Cc1nc2ccccc2c(C(=O)N2CCn3cc(-c4ccccc4)nc3C2)c1[O-] ZINC001149197742 1030088654 /nfs/dbraw/zinc/08/86/54/1030088654.db2.gz OUMGKTHLJXXXIT-UHFFFAOYSA-N -1 3 384.439 3.768 20 0 GHADHM Cc1nc2ccccc2c(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)c1[O-] ZINC001149198843 1030088991 /nfs/dbraw/zinc/08/89/91/1030088991.db2.gz WCRXWNZHQVZOCF-UHFFFAOYSA-N -1 3 384.457 3.683 20 0 GHADHM COc1nc(C)ccc1-c1noc(-c2nc3cc(Br)ccc3[n-]2)n1 ZINC001217322015 1030309837 /nfs/dbraw/zinc/30/98/37/1030309837.db2.gz JHAVVQALAIBWNJ-UHFFFAOYSA-N -1 3 386.209 3.754 20 0 GHADHM COc1nc(C)ccc1-c1noc(-c2nc3ccc(Br)cc3[n-]2)n1 ZINC001217322015 1030309851 /nfs/dbraw/zinc/30/98/51/1030309851.db2.gz JHAVVQALAIBWNJ-UHFFFAOYSA-N -1 3 386.209 3.754 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3cccc(F)c3C(F)(F)F)no2)C1=O ZINC001217355006 1030330814 /nfs/dbraw/zinc/33/08/14/1030330814.db2.gz NRQGLMSNRYERNT-UHFFFAOYSA-N -1 3 377.253 3.696 20 0 GHADHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc(OC(F)(F)F)c(F)c3)no2)C1=O ZINC001217355658 1030331489 /nfs/dbraw/zinc/33/14/89/1030331489.db2.gz VOBVLBZIUWEMBN-UHFFFAOYSA-N -1 3 393.252 3.576 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ccc(-n5cccn5)cc4)no3)c2c1 ZINC001217499187 1030442228 /nfs/dbraw/zinc/44/22/28/1030442228.db2.gz FLKAGJMPILOEIN-UHFFFAOYSA-N -1 3 385.383 3.852 20 0 GHADHM COc1ccc2ncc([O-])c(-c3nc(-c4ncccc4Br)no3)c2c1 ZINC001217499188 1030442505 /nfs/dbraw/zinc/44/25/05/1030442505.db2.gz FLOXBIVPGPIDOO-UHFFFAOYSA-N -1 3 399.204 3.824 20 0 GHADHM CON(C)C(=O)c1ccc(-c2noc(-c3c([O-])cnc4ccc(C)cc43)n2)cc1 ZINC001217500533 1030443516 /nfs/dbraw/zinc/44/35/16/1030443516.db2.gz GZMYGZMWPTZDLQ-UHFFFAOYSA-N -1 3 390.399 3.599 20 0 GHADHM COc1ccc2cc([O-])c(-c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)cc2c1 ZINC001217523711 1030465353 /nfs/dbraw/zinc/46/53/53/1030465353.db2.gz MSGZTVAGQJQCGY-UHFFFAOYSA-N -1 3 396.424 3.675 20 0 GHADHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H]3CCc4cccnc43)nc21 ZINC001223402625 1030556248 /nfs/dbraw/zinc/55/62/48/1030556248.db2.gz FORCSODLTXMWJL-ACJLOTCBSA-N -1 3 375.787 3.767 20 0 GHADHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H]3CCc4cccnc43)[n-]c21 ZINC001223402625 1030556259 /nfs/dbraw/zinc/55/62/59/1030556259.db2.gz FORCSODLTXMWJL-ACJLOTCBSA-N -1 3 375.787 3.767 20 0 GHADHM CCC(CC)(CC)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001150607678 1030584670 /nfs/dbraw/zinc/58/46/70/1030584670.db2.gz AOMWEJWXKCNDBT-UHFFFAOYSA-N -1 3 397.475 3.939 20 0 GHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)c([O-])c1 ZINC001151159999 1030786877 /nfs/dbraw/zinc/78/68/77/1030786877.db2.gz FWXWWOFMKYWOHC-UHFFFAOYSA-N -1 3 380.400 3.854 20 0 GHADHM CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(Cl)c1[O-] ZINC001276944791 1030876151 /nfs/dbraw/zinc/87/61/51/1030876151.db2.gz XXUFPMKXDIWZLE-HRCADAONSA-N -1 3 379.932 3.946 20 0 GHADHM Cc1cc(S(=O)(=O)c2cc(C)c(OC[C@H]3C[C@H](O)C3)c(C)c2)cc(C)c1[O-] ZINC001218430058 1030934887 /nfs/dbraw/zinc/93/48/87/1030934887.db2.gz DKOAEVNRMJRYFW-QAQDUYKDSA-N -1 3 390.501 3.608 20 0 GHADHM CC1(C)C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)CC[NH2+]1 ZINC001218477002 1030953349 /nfs/dbraw/zinc/95/33/49/1030953349.db2.gz MSDSLIHRTCUJCA-HNNXBMFYSA-N -1 3 381.428 3.781 20 0 GHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001151785203 1030998681 /nfs/dbraw/zinc/99/86/81/1030998681.db2.gz FEUPQHBLNJDPLM-JKSUJKDBSA-N -1 3 376.884 3.847 20 0 GHADHM O=C(Nc1ccc(C2OCCO2)cc1)c1nc2cc(Br)ccc2[n-]1 ZINC001151826988 1031023772 /nfs/dbraw/zinc/02/37/72/1031023772.db2.gz OLWOZEVLAXICMN-UHFFFAOYSA-N -1 3 388.221 3.623 20 0 GHADHM O=C(Nc1ccc(C2OCCO2)cc1)c1nc2ccc(Br)cc2[n-]1 ZINC001151826988 1031023785 /nfs/dbraw/zinc/02/37/85/1031023785.db2.gz OLWOZEVLAXICMN-UHFFFAOYSA-N -1 3 388.221 3.623 20 0 GHADHM O=C([N-]CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)c2ccccc21)C(F)(F)F ZINC001152118107 1031107654 /nfs/dbraw/zinc/10/76/54/1031107654.db2.gz DVWPWSHOALTVJG-CWRNSKLLSA-N -1 3 380.410 3.622 20 0 GHADHM CCCc1[nH]ccc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001152118119 1031107751 /nfs/dbraw/zinc/10/77/51/1031107751.db2.gz FCZZMZVFDXKLQF-CYBMUJFWSA-N -1 3 393.409 3.780 20 0 GHADHM CCC1=C(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCCO1 ZINC001152121350 1031109693 /nfs/dbraw/zinc/10/96/93/1031109693.db2.gz XIXZVOJOFLIPQC-CYBMUJFWSA-N -1 3 396.409 3.660 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3ccc(C)cc3)CC2)c1 ZINC001152337462 1031196836 /nfs/dbraw/zinc/19/68/36/1031196836.db2.gz FHIDKZWCLJJHSO-UHFFFAOYSA-N -1 3 378.472 3.920 20 0 GHADHM COc1ccc(N)c(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c1 ZINC001219144431 1031271202 /nfs/dbraw/zinc/27/12/02/1031271202.db2.gz LGBAHKLVUKZTTD-UHFFFAOYSA-N -1 3 399.491 3.692 20 0 GHADHM COc1cc2ccccc2cc1C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001152797916 1031359814 /nfs/dbraw/zinc/35/98/14/1031359814.db2.gz BQMJWEIHYPPNKT-UHFFFAOYSA-N -1 3 386.411 3.644 20 0 GHADHM O=C(C[C@@H]1CCc2sccc2C1=O)Nc1cc(Br)ccc1[O-] ZINC001153473532 1031607488 /nfs/dbraw/zinc/60/74/88/1031607488.db2.gz NTQXXAYJMGGLJC-VIFPVBQESA-N -1 3 380.263 3.990 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2cc(C(F)(F)F)nc(=S)[n-]2)C1 ZINC001225851939 1031651518 /nfs/dbraw/zinc/65/15/18/1031651518.db2.gz YJSKSLIKVDOLMG-IUCAKERBSA-N -1 3 397.394 3.510 20 0 GHADHM CN(Cc1ccccc1Oc1ccccc1)C(=O)c1cnc2cccnc2c1[O-] ZINC001153855531 1031772870 /nfs/dbraw/zinc/77/28/70/1031772870.db2.gz GCWPXPKUOVTNSH-UHFFFAOYSA-N -1 3 385.423 3.988 20 0 GHADHM O=C(NCc1c(Cl)ccc(Cl)c1Cl)c1cnc2cccnc2c1[O-] ZINC001153861314 1031778297 /nfs/dbraw/zinc/77/82/97/1031778297.db2.gz AEPCKRSGEOTGAK-UHFFFAOYSA-N -1 3 382.634 3.813 20 0 GHADHM CN(CCCc1ccccc1)C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153875514 1031787071 /nfs/dbraw/zinc/78/70/71/1031787071.db2.gz AMSDOEBIOVSHOE-UHFFFAOYSA-N -1 3 399.288 3.995 20 0 GHADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(=O)c3cc(Cl)ccc3[n-]1)CC2 ZINC001153904433 1031802172 /nfs/dbraw/zinc/80/21/72/1031802172.db2.gz KSOYQTRNBQTLLO-UHFFFAOYSA-N -1 3 380.831 3.583 20 0 GHADHM O=C(c1cc(=O)c2cc(Cl)ccc2[n-]1)N1CCC2(Cc3ccccc3O2)CC1 ZINC001153904276 1031802732 /nfs/dbraw/zinc/80/27/32/1031802732.db2.gz INUWHSFCAOAZBE-UHFFFAOYSA-N -1 3 394.858 3.791 20 0 GHADHM O=C(NCc1cccc(C(F)(F)F)n1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908782 1031806201 /nfs/dbraw/zinc/80/62/01/1031806201.db2.gz YYEIMBBSFTVNTL-UHFFFAOYSA-N -1 3 381.741 3.525 20 0 GHADHM CC(C)Oc1ccc(CCNC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)cc1 ZINC001153908345 1031806403 /nfs/dbraw/zinc/80/64/03/1031806403.db2.gz CHNBRLWFAHFYEG-UHFFFAOYSA-N -1 3 384.863 3.941 20 0 GHADHM CCCOc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1OCCC ZINC001153976670 1031850663 /nfs/dbraw/zinc/85/06/63/1031850663.db2.gz TZMBQUQZOKRASQ-UHFFFAOYSA-N -1 3 397.475 3.793 20 0 GHADHM Cc1cc(NC(=O)c2c([O-])cc3ccccc3c2O)n(C(=O)OC(C)(C)C)n1 ZINC001154019398 1031876753 /nfs/dbraw/zinc/87/67/53/1031876753.db2.gz NHALAUZPJUABIJ-UHFFFAOYSA-N -1 3 383.404 3.791 20 0 GHADHM COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154027644 1031884960 /nfs/dbraw/zinc/88/49/60/1031884960.db2.gz ZPLJEXCUENBXPM-OAHLLOKOSA-N -1 3 393.439 3.845 20 0 GHADHM C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC001154068305 1031908613 /nfs/dbraw/zinc/90/86/13/1031908613.db2.gz WFCCMRPZSLAPRG-PVAVHDDUSA-N -1 3 379.460 3.510 20 0 GHADHM CC(C)[C@@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccc(C(C)(C)C)cc1 ZINC001220383478 1031920347 /nfs/dbraw/zinc/92/03/47/1031920347.db2.gz PWJOURANTCGIBW-MRXNPFEDSA-N -1 3 398.511 3.513 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@@H]1C[C@]1(F)c1ccccc1 ZINC001154104540 1031928016 /nfs/dbraw/zinc/92/80/16/1031928016.db2.gz SAZQWIBNHPTVOH-LRDDRELGSA-N -1 3 397.187 3.820 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001154104539 1031928111 /nfs/dbraw/zinc/92/81/11/1031928111.db2.gz SAZQWIBNHPTVOH-BLLLJJGKSA-N -1 3 397.187 3.820 20 0 GHADHM COc1ccc2c(=O)cc(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)[n-]c2c1 ZINC001154120632 1031937128 /nfs/dbraw/zinc/93/71/28/1031937128.db2.gz PAVAOIHVFYVRDJ-KRWDZBQOSA-N -1 3 376.334 3.570 20 0 GHADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001226486094 1031977883 /nfs/dbraw/zinc/97/78/83/1031977883.db2.gz SMWLZXKDBDMGJM-CYBMUJFWSA-N -1 3 379.453 3.857 20 0 GHADHM COC(=O)[C@@H]1CC[C@H](Oc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC001226491709 1031981463 /nfs/dbraw/zinc/98/14/63/1031981463.db2.gz OBAFVBDDZWXOLW-CABCVRRESA-N -1 3 380.396 3.886 20 0 GHADHM O=C(Nc1cc(Br)nc2ccccc21)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154206481 1031984810 /nfs/dbraw/zinc/98/48/10/1031984810.db2.gz WBIUVQXMAZYRRM-UHFFFAOYSA-N -1 3 383.205 3.832 20 0 GHADHM Cc1cc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)c(C)s1 ZINC001461829416 1069776542 /nfs/dbraw/zinc/77/65/42/1069776542.db2.gz VOGXAZAKXUTYSA-UHFFFAOYSA-N -1 3 395.893 3.827 20 0 GHADHM Cc1cc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)c(C)s1 ZINC001461829416 1069776553 /nfs/dbraw/zinc/77/65/53/1069776553.db2.gz VOGXAZAKXUTYSA-UHFFFAOYSA-N -1 3 395.893 3.827 20 0 GHADHM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC001154209969 1031985952 /nfs/dbraw/zinc/98/59/52/1031985952.db2.gz XWOYNMFGJZDJET-UHFFFAOYSA-N -1 3 398.419 3.876 20 0 GHADHM CN1CCc2nc(C(=O)[N-]c3cc(-c4ccc(Cl)s4)on3)sc2C1 ZINC001154216337 1031988874 /nfs/dbraw/zinc/98/88/74/1031988874.db2.gz ANNLPBLQGSHJNT-UHFFFAOYSA-N -1 3 380.882 3.753 20 0 GHADHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc([O-])c2Br)[C@@H](F)C1 ZINC001229139091 1033302188 /nfs/dbraw/zinc/30/21/88/1033302188.db2.gz FKVRJKJYQJTJLJ-CMPLNLGQSA-N -1 3 390.249 3.881 20 0 GHADHM C[C@H](Oc1cccc([O-])c1Br)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001229139447 1033303302 /nfs/dbraw/zinc/30/33/02/1033303302.db2.gz GSBYLZYAZKVKBI-KSSFIOAISA-N -1 3 392.293 3.823 20 0 GHADHM CCOC(=O)C1CC(Oc2cc3c(cc2[O-])oc(=O)cc3-c2ccccc2)C1 ZINC001229266446 1033378892 /nfs/dbraw/zinc/37/88/92/1033378892.db2.gz CEWZBWFZSDHMCB-UHFFFAOYSA-N -1 3 380.396 3.886 20 0 GHADHM O=C(Nc1nc(C2CCOCC2)cs1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001157076864 1033405141 /nfs/dbraw/zinc/40/51/41/1033405141.db2.gz MGLDAFRRSRHCNF-UHFFFAOYSA-N -1 3 389.864 3.784 20 0 GHADHM CC[C@@H](C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1)c1ccc(Br)cc1 ZINC001157105271 1033416567 /nfs/dbraw/zinc/41/65/67/1033416567.db2.gz BZHCWLGZRKWLPA-CYBMUJFWSA-N -1 3 394.269 3.870 20 0 GHADHM CC[C@@H](C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1)c1ccc(Br)cc1 ZINC001157105271 1033416571 /nfs/dbraw/zinc/41/65/71/1033416571.db2.gz BZHCWLGZRKWLPA-CYBMUJFWSA-N -1 3 394.269 3.870 20 0 GHADHM Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001157243289 1033489031 /nfs/dbraw/zinc/48/90/31/1033489031.db2.gz PTCOIFKQDSGRJN-LURJTMIESA-N -1 3 395.154 3.525 20 0 GHADHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc(F)c2Cl)no1 ZINC001206060862 1033704059 /nfs/dbraw/zinc/70/40/59/1033704059.db2.gz VWJHKBFNKSNLAF-NSHDSACASA-N -1 3 395.843 3.710 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229949632 1033811248 /nfs/dbraw/zinc/81/12/48/1033811248.db2.gz CWIFMNSEJOVAIQ-SFHVURJKSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229949632 1033811266 /nfs/dbraw/zinc/81/12/66/1033811266.db2.gz CWIFMNSEJOVAIQ-SFHVURJKSA-N -1 3 393.447 3.738 20 0 GHADHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(=O)nc3cccc(F)c31)C2 ZINC001231074915 1034380104 /nfs/dbraw/zinc/38/01/04/1034380104.db2.gz SSUZBGVQCAANGP-ITGUQSILSA-N -1 3 389.427 3.784 20 0 GHADHM O=C(Cc1c(Cl)cccc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063375 1034407893 /nfs/dbraw/zinc/40/78/93/1034407893.db2.gz LHNGYNUUUINJFM-UHFFFAOYSA-N -1 3 380.629 3.866 20 0 GHADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 ZINC001159126780 1034437959 /nfs/dbraw/zinc/43/79/59/1034437959.db2.gz RLTWODZOGOQWLM-KUHUBIRLSA-N -1 3 384.451 3.576 20 0 GHADHM CCN1CCC[C@H]1CNC(=O)c1c([O-])c(Cl)cc(Cl)c1OC(C)C ZINC001231241233 1034479614 /nfs/dbraw/zinc/47/96/14/1034479614.db2.gz YNLNRPAVPGDJEU-NSHDSACASA-N -1 3 375.296 3.700 20 0 GHADHM Cc1ccc(CSc2nc(NC(=O)COCc3ccccc3C)n[n-]2)cc1 ZINC001159363290 1034564551 /nfs/dbraw/zinc/56/45/51/1034564551.db2.gz BNSVXDNVIIHSQJ-UHFFFAOYSA-N -1 3 382.489 3.869 20 0 GHADHM CCOC(=O)c1c(N)n(-c2cc(F)c([O-])c(F)c2)c2c1cc(F)cc2NC ZINC001159408658 1034586096 /nfs/dbraw/zinc/58/60/96/1034586096.db2.gz HSAYFDJIZZFUAX-UHFFFAOYSA-N -1 3 379.338 3.554 20 0 GHADHM CC1(CC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CCCCC1 ZINC001276546308 1034591788 /nfs/dbraw/zinc/59/17/88/1034591788.db2.gz NRELOWZRHKQQAX-OAHLLOKOSA-N -1 3 382.426 3.983 20 0 GHADHM CN(Cc1cc(C(=O)[O-])ccc1F)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231459881 1034603988 /nfs/dbraw/zinc/60/39/88/1034603988.db2.gz QRTGKQUVNHKFJO-UHFFFAOYSA-N -1 3 380.460 3.603 20 0 GHADHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1ccc(C(=O)[O-])s1 ZINC001231464481 1034610528 /nfs/dbraw/zinc/61/05/28/1034610528.db2.gz GWILLHBNIIZLJB-LZWOXQAQSA-N -1 3 378.538 3.742 20 0 GHADHM CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231523019 1034675248 /nfs/dbraw/zinc/67/52/48/1034675248.db2.gz NAZFIXPEQCCORR-UHFFFAOYSA-N -1 3 386.414 3.854 20 0 GHADHM Cc1ccc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)n1 ZINC001231669995 1034824311 /nfs/dbraw/zinc/82/43/11/1034824311.db2.gz VMYUEVITGIVOEL-LJQANCHMSA-N -1 3 383.492 3.890 20 0 GHADHM CCCC[C@](CC)(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C(=O)OCC ZINC001160060329 1034847501 /nfs/dbraw/zinc/84/75/01/1034847501.db2.gz WQADIQSKXYCLFW-AWEZNQCLSA-N -1 3 381.876 3.960 20 0 GHADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001208295518 1034850040 /nfs/dbraw/zinc/85/00/40/1034850040.db2.gz XNDWRMWTCUKRAR-JTQLQIEISA-N -1 3 382.295 3.844 20 0 GHADHM O=S(=O)([N-]CCOc1ccc(F)cc1)c1cc(Cl)ccc1C(F)(F)F ZINC001208320563 1034858244 /nfs/dbraw/zinc/85/82/44/1034858244.db2.gz OIAXDXSFUAQOJJ-UHFFFAOYSA-N -1 3 397.777 3.855 20 0 GHADHM COC(=O)c1ccc(OC2CCN(Cc3ccc(Cl)c([O-])c3)CC2)cc1 ZINC001231733913 1034869723 /nfs/dbraw/zinc/86/97/23/1034869723.db2.gz LZUKVERANVHFBD-UHFFFAOYSA-N -1 3 375.852 3.876 20 0 GHADHM O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2Cc1ccc(Cl)c([O-])c1 ZINC001231738524 1034872271 /nfs/dbraw/zinc/87/22/71/1034872271.db2.gz QESYARWEFAEOFH-NRFANRHFSA-N -1 3 385.895 3.598 20 0 GHADHM CCOC(=O)CCCN(Cc1ccccc1)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001231755851 1034885195 /nfs/dbraw/zinc/88/51/95/1034885195.db2.gz BBFKMVMKJATGFP-UHFFFAOYSA-N -1 3 385.460 3.739 20 0 GHADHM O=C(NCc1ccc(N2CCCCC2)nc1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001160572545 1035005633 /nfs/dbraw/zinc/00/56/33/1035005633.db2.gz QHPVFIKHQKTRGP-UHFFFAOYSA-N -1 3 396.878 3.909 20 0 GHADHM C[C@@H](c1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1)C(F)(F)F ZINC001160955543 1035104724 /nfs/dbraw/zinc/10/47/24/1035104724.db2.gz XVSLZYSVCKDHFH-NSHDSACASA-N -1 3 375.354 3.709 20 0 GHADHM C[C@@H](c1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1)C(F)(F)F ZINC001160955543 1035104727 /nfs/dbraw/zinc/10/47/27/1035104727.db2.gz XVSLZYSVCKDHFH-NSHDSACASA-N -1 3 375.354 3.709 20 0 GHADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC001161522029 1035249407 /nfs/dbraw/zinc/24/94/07/1035249407.db2.gz YLAABPLFYADEMQ-UHFFFAOYSA-N -1 3 391.431 3.523 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3sc4ncccc4c3Cl)c2c1=O ZINC001161527683 1035250958 /nfs/dbraw/zinc/25/09/58/1035250958.db2.gz TVQJSTFYQZWJRY-UHFFFAOYSA-N -1 3 387.852 3.568 20 0 GHADHM [O-]c1ccc(Cc2nc(-c3ccccc3I)no2)c(F)c1 ZINC001248141481 1035561127 /nfs/dbraw/zinc/56/11/27/1035561127.db2.gz CIDKMOVFVYKDIQ-UHFFFAOYSA-N -1 3 396.159 3.777 20 0 GHADHM Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241445362 1035583728 /nfs/dbraw/zinc/58/37/28/1035583728.db2.gz OEXPBEMPQKRIHX-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241445362 1035583734 /nfs/dbraw/zinc/58/37/34/1035583734.db2.gz OEXPBEMPQKRIHX-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM C[C@@H]1CC[C@H](CNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1 ZINC001248394308 1035806881 /nfs/dbraw/zinc/80/68/81/1035806881.db2.gz IFGSJKNNTBVNSE-QLFBSQMISA-N -1 3 397.441 3.805 20 0 GHADHM CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1-c1cccc([S-])c1 ZINC001242866011 1035975328 /nfs/dbraw/zinc/97/53/28/1035975328.db2.gz JCZCQMLMVSRTGC-OAHLLOKOSA-N -1 3 399.560 3.836 20 0 GHADHM CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243582431 1036210929 /nfs/dbraw/zinc/21/09/29/1036210929.db2.gz SGHZJCWCNKWFOG-SFHVURJKSA-N -1 3 386.835 3.904 20 0 GHADHM Cc1cc(-c2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)cc([O-])c1F ZINC001244509023 1036524995 /nfs/dbraw/zinc/52/49/95/1036524995.db2.gz WYTMUNISHAHDIO-UHFFFAOYSA-N -1 3 382.414 3.762 20 0 GHADHM Cc1cccc(CN2C(=O)CCC23CCN(Cc2cccc([O-])c2Cl)CC3)n1 ZINC001232785505 1038552378 /nfs/dbraw/zinc/55/23/78/1038552378.db2.gz FDLSDMBYLRKSCZ-UHFFFAOYSA-N -1 3 399.922 3.906 20 0 GHADHM [O-]c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1I ZINC001232868182 1038631498 /nfs/dbraw/zinc/63/14/98/1038631498.db2.gz MMDYKFPVMQHXPR-OAHLLOKOSA-N -1 3 380.229 3.729 20 0 GHADHM CC(C)(C)OC(=O)NC(=S)C1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232941423 1038720276 /nfs/dbraw/zinc/72/02/76/1038720276.db2.gz WRHCQXULMTTWAZ-UHFFFAOYSA-N -1 3 386.464 3.735 20 0 GHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cnn4c3nc(C)cc4C)n2)cc1 ZINC001252272314 1038918525 /nfs/dbraw/zinc/91/85/25/1038918525.db2.gz MTLJMUNAPBECSR-UHFFFAOYSA-N -1 3 396.501 3.910 20 0 GHADHM O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001462321202 1070169613 /nfs/dbraw/zinc/16/96/13/1070169613.db2.gz WKKCHDALACMPFS-UHFFFAOYSA-N -1 3 383.354 3.846 20 0 GHADHM [O-]c1ccc(F)c(CN2CCN(Cc3ccc(Br)cc3)CC2)c1F ZINC001233395644 1039229765 /nfs/dbraw/zinc/22/97/65/1039229765.db2.gz HHWWFMOOFVJMKK-UHFFFAOYSA-N -1 3 397.263 3.751 20 0 GHADHM O=C1CC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)Oc2ccc(F)cc21 ZINC001233396455 1039231471 /nfs/dbraw/zinc/23/14/71/1039231471.db2.gz CNNVMUHXFMHMHY-UHFFFAOYSA-N -1 3 377.362 3.810 20 0 GHADHM O=C(CCCN1CCN(Cc2c(F)ccc([O-])c2F)CC1)c1ccc(F)cc1 ZINC001233397144 1039232964 /nfs/dbraw/zinc/23/29/64/1039232964.db2.gz MOADXDDQZAMQEU-UHFFFAOYSA-N -1 3 392.421 3.590 20 0 GHADHM COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(Cl)c1[O-] ZINC001233397567 1039232995 /nfs/dbraw/zinc/23/29/95/1039232995.db2.gz FGWMDWXZLXVXCT-CQSZACIVSA-N -1 3 382.888 3.543 20 0 GHADHM COc1ccc(CN2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1[O-] ZINC001233401049 1039241009 /nfs/dbraw/zinc/24/10/09/1039241009.db2.gz KCSPRFRVHOIERE-JSGCOSHPSA-N -1 3 384.904 3.789 20 0 GHADHM COc1ccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c(Cl)c1[O-] ZINC001233401680 1039244316 /nfs/dbraw/zinc/24/43/16/1039244316.db2.gz KFHBXJFXSWVTPJ-UHFFFAOYSA-N -1 3 392.858 3.588 20 0 GHADHM CCC(=O)[C@H]1C[C@@H](Oc2c(Cl)ccc([O-])c2F)CN1C(=O)OC(C)(C)C ZINC001234263125 1039943369 /nfs/dbraw/zinc/94/33/69/1039943369.db2.gz SDTYSWOORMKOFQ-ZYHUDNBSSA-N -1 3 387.835 3.921 20 0 GHADHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1Cl ZINC001254038490 1039968901 /nfs/dbraw/zinc/96/89/01/1039968901.db2.gz KXVNRSWDNAKLDY-UHFFFAOYSA-N -1 3 393.770 3.946 20 0 GHADHM CO[C@H](C)CO[C@@H](C)COc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380510 1039992078 /nfs/dbraw/zinc/99/20/78/1039992078.db2.gz DYRPBSMPUIFSCF-CABCVRRESA-N -1 3 384.428 3.984 20 0 GHADHM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC001254160247 1040014144 /nfs/dbraw/zinc/01/41/44/1040014144.db2.gz HWLQEXHBUIKHGB-INIZCTEOSA-N -1 3 375.490 3.998 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001254310486 1040162688 /nfs/dbraw/zinc/16/26/88/1040162688.db2.gz RKAUPGJFENFBGO-GFCCVEGCSA-N -1 3 384.301 3.682 20 0 GHADHM CCOC(=O)[C@@H]1C[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)c2ccccc2O1 ZINC001234691425 1040224119 /nfs/dbraw/zinc/22/41/19/1040224119.db2.gz IONAOROSQYMEHM-ROUUACIJSA-N -1 3 392.411 3.684 20 0 GHADHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2Cl)c1 ZINC001254436081 1040230822 /nfs/dbraw/zinc/23/08/22/1040230822.db2.gz RHTGGWVAYAWLAT-UHFFFAOYSA-N -1 3 380.224 3.951 20 0 GHADHM COc1cc(O[C@@H]2CCCOC2)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234784943 1040316406 /nfs/dbraw/zinc/31/64/06/1040316406.db2.gz YDTXIOOQFRPVCD-CYBMUJFWSA-N -1 3 398.411 3.741 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1C(C)=O ZINC001234789796 1040321743 /nfs/dbraw/zinc/32/17/43/1040321743.db2.gz CMEFFQGKOCXMJS-RISCZKNCSA-N -1 3 379.453 3.689 20 0 GHADHM COc1cc([O-])c(C)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1C(C)=O ZINC001234794088 1040325180 /nfs/dbraw/zinc/32/51/80/1040325180.db2.gz YIGLJQSFAPLJKI-LRDDRELGSA-N -1 3 393.480 3.936 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(OCC)cnc2Br)cc1 ZINC001255152479 1040875910 /nfs/dbraw/zinc/87/59/10/1040875910.db2.gz SVOWIUULTBNGOL-UHFFFAOYSA-N -1 3 399.310 3.996 20 0 GHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001255210740 1040906300 /nfs/dbraw/zinc/90/63/00/1040906300.db2.gz AMFMGZBIULFEAJ-UHFFFAOYSA-N -1 3 394.924 3.930 20 0 GHADHM O=c1cc(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)[n-]c2c(O)cccc12 ZINC001255396807 1040983865 /nfs/dbraw/zinc/98/38/65/1040983865.db2.gz PVSWWQKPIWFKBM-HNNXBMFYSA-N -1 3 388.427 3.686 20 0 GHADHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cccc(COc3ccccc3)c2)C1 ZINC001462518212 1070321477 /nfs/dbraw/zinc/32/14/77/1070321477.db2.gz BALHJSHHPWFSGB-FQEVSTJZSA-N -1 3 392.421 3.909 20 0 GHADHM O=c1cccc(CN2C[C@@H]3CCN(Cc4ccc(Cl)c([O-])c4Cl)[C@@H]3C2)[nH]1 ZINC001278879726 1041216541 /nfs/dbraw/zinc/21/65/41/1041216541.db2.gz YKALLAXQLSKEAN-BLLLJJGKSA-N -1 3 394.302 3.506 20 0 GHADHM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000474220966 1041262909 /nfs/dbraw/zinc/26/29/09/1041262909.db2.gz QHLFLHKCLFQVMJ-AEFFLSMTSA-N -1 3 386.498 3.619 20 0 GHADHM O=S(=O)([N-]c1ncc(F)cc1Br)c1ccc(C(F)(F)F)cc1 ZINC001255868980 1041358007 /nfs/dbraw/zinc/35/80/07/1041358007.db2.gz AKFCVGCCEXLJCA-UHFFFAOYSA-N -1 3 399.163 3.803 20 0 GHADHM O=S(=O)([N-]Cc1ccc(-c2ccnc(F)c2)c(F)c1)c1ccc(F)cc1F ZINC001256094343 1041523780 /nfs/dbraw/zinc/52/37/80/1041523780.db2.gz FRYSYXLGSFXQBI-UHFFFAOYSA-N -1 3 396.365 3.784 20 0 GHADHM O=S(=O)([N-]C1(c2ccccc2Cl)CCOCC1)c1ccc(F)cc1F ZINC001256110436 1041534196 /nfs/dbraw/zinc/53/41/96/1041534196.db2.gz PBPMKRQATKWIGU-UHFFFAOYSA-N -1 3 387.835 3.602 20 0 GHADHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236697032 1041838035 /nfs/dbraw/zinc/83/80/35/1041838035.db2.gz BPUCQTBWQOKFMA-GXTWGEPZSA-N -1 3 399.329 3.890 20 0 GHADHM Cc1cncc(COCc2cnc3n2CCN(Cc2ccc(F)c([O-])c2)[C@H]3C)c1 ZINC001236704733 1041842759 /nfs/dbraw/zinc/84/27/59/1041842759.db2.gz ALWIGBYVCAVMKH-INIZCTEOSA-N -1 3 396.466 3.725 20 0 GHADHM COC[C@@H]1CN(Cc2sc(=O)[n-]c2Cl)Cc2cn(CC3CCCC3)nc21 ZINC001237158921 1042071053 /nfs/dbraw/zinc/07/10/53/1042071053.db2.gz RNUIIVBYBCQTME-AWEZNQCLSA-N -1 3 396.944 3.635 20 0 GHADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237776975 1042364696 /nfs/dbraw/zinc/36/46/96/1042364696.db2.gz HZLAWRRVDWTJIK-UHFFFAOYSA-N -1 3 397.862 3.659 20 0 GHADHM [O-]c1c(F)cc(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001237991397 1042446727 /nfs/dbraw/zinc/44/67/27/1042446727.db2.gz HWXYXONQAOIWIC-CJNGLKHVSA-N -1 3 381.904 3.738 20 0 GHADHM O=S(=O)([N-][C@H]1COc2ccc(Br)cc21)c1ccc(Cl)s1 ZINC001256533879 1043466129 /nfs/dbraw/zinc/46/61/29/1043466129.db2.gz QAZZBEXNLFZVSS-VIFPVBQESA-N -1 3 394.699 3.576 20 0 GHADHM Cc1cccc(S(=O)(=O)[N-]c2c(Cl)ccc(Br)c2O)c1 ZINC001256958450 1043773609 /nfs/dbraw/zinc/77/36/09/1043773609.db2.gz JMWFUYBTOJFETD-UHFFFAOYSA-N -1 3 376.659 3.917 20 0 GHADHM CSc1ncc(Cl)c(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC001257293256 1043959031 /nfs/dbraw/zinc/95/90/31/1043959031.db2.gz LVVPNWVVPABRRB-UHFFFAOYSA-N -1 3 398.724 3.637 20 0 GHADHM C[C@H](Oc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1)c1ccccc1 ZINC001292978961 1043971723 /nfs/dbraw/zinc/97/17/23/1043971723.db2.gz WZFCOCDPHWJINE-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM C[C@H](Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1)c1ccccc1 ZINC001292978961 1043971732 /nfs/dbraw/zinc/97/17/32/1043971732.db2.gz WZFCOCDPHWJINE-INIZCTEOSA-N -1 3 399.454 3.937 20 0 GHADHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC001257780590 1044167397 /nfs/dbraw/zinc/16/73/97/1044167397.db2.gz UBLSACCPCSAGMJ-LLVKDONJSA-N -1 3 394.707 3.529 20 0 GHADHM CC(C)Oc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC001257786116 1044171422 /nfs/dbraw/zinc/17/14/22/1044171422.db2.gz XXAWOKXZWMBVMC-UHFFFAOYSA-N -1 3 375.277 3.654 20 0 GHADHM O=S(=O)([N-]Cc1cncn1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC001257791088 1044174528 /nfs/dbraw/zinc/17/45/28/1044174528.db2.gz PUFJUJYVUONAHD-UHFFFAOYSA-N -1 3 396.299 3.717 20 0 GHADHM O=C(NC[C@H]1SCCc2ccccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294122762 1044483079 /nfs/dbraw/zinc/48/30/79/1044483079.db2.gz XFNBORKNDILXKT-QGZVFWFLSA-N -1 3 386.423 3.567 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1[n-]cnc1C(F)(F)F ZINC001294424563 1044618128 /nfs/dbraw/zinc/61/81/28/1044618128.db2.gz PYCMTFFGNWBYKH-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1nc[n-]c1C(F)(F)F ZINC001294424563 1044618138 /nfs/dbraw/zinc/61/81/38/1044618138.db2.gz PYCMTFFGNWBYKH-UHFFFAOYSA-N -1 3 380.301 3.794 20 0 GHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001294440946 1044633338 /nfs/dbraw/zinc/63/33/38/1044633338.db2.gz PKGKKSZBQIHHBF-ZFWWWQNUSA-N -1 3 382.410 3.900 20 0 GHADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC001294812498 1044806566 /nfs/dbraw/zinc/80/65/66/1044806566.db2.gz RNAMIENOOCNUOZ-MGPLVRAMSA-N -1 3 387.785 3.818 20 0 GHADHM CC1(C)CC[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)[C@H](c2ccccc2)C1 ZINC001294909705 1044837562 /nfs/dbraw/zinc/83/75/62/1044837562.db2.gz WXUROAMSNIVMIP-RTWAWAEBSA-N -1 3 394.515 3.848 20 0 GHADHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1nc(Cl)ccc1Cl)C(=O)C2 ZINC001258980269 1044917212 /nfs/dbraw/zinc/91/72/12/1044917212.db2.gz YHYDQEMPOZIAHN-RFAUZJTJSA-N -1 3 377.293 3.526 20 0 GHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c1 ZINC001258986489 1044919117 /nfs/dbraw/zinc/91/91/17/1044919117.db2.gz SRCUTUQYJQHHSX-FZKQIMNGSA-N -1 3 383.897 3.680 20 0 GHADHM Cc1ccccc1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259059644 1044941868 /nfs/dbraw/zinc/94/18/68/1044941868.db2.gz RBBJIGXIRTWWJL-LLVKDONJSA-N -1 3 390.324 3.565 20 0 GHADHM COc1ccc(C2(CNC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CCC2)cc1 ZINC001295463728 1045027468 /nfs/dbraw/zinc/02/74/68/1045027468.db2.gz XMVXTFYQUSQHMN-UHFFFAOYSA-N -1 3 398.409 3.667 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC001259345369 1045093277 /nfs/dbraw/zinc/09/32/77/1045093277.db2.gz GWRCUPXLIOWZAW-UHFFFAOYSA-N -1 3 395.305 3.556 20 0 GHADHM O=S(=O)([N-]c1c(F)cccc1OC1CCCC1)c1ccc2c(c1)CCO2 ZINC001259356915 1045097536 /nfs/dbraw/zinc/09/75/36/1045097536.db2.gz CRIMCECORBLJHH-UHFFFAOYSA-N -1 3 377.437 3.883 20 0 GHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F ZINC001259370163 1045106148 /nfs/dbraw/zinc/10/61/48/1045106148.db2.gz DFCUNLPKZMZXRH-UHFFFAOYSA-N -1 3 375.425 3.599 20 0 GHADHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(OC(F)F)cc1 ZINC001259422717 1045141107 /nfs/dbraw/zinc/14/11/07/1045141107.db2.gz IQOVNDKIEWCTKC-UHFFFAOYSA-N -1 3 378.194 3.851 20 0 GHADHM O=S(=O)([N-]c1cc(F)cnc1Br)c1cc(Cl)ccc1F ZINC001259453406 1045169602 /nfs/dbraw/zinc/16/96/02/1045169602.db2.gz XTXVHPLEYIWCEF-UHFFFAOYSA-N -1 3 383.601 3.577 20 0 GHADHM O=S(=O)([N-][C@@H](c1ccncc1Cl)C1CC1)c1cccc(Cl)c1F ZINC001259473219 1045185928 /nfs/dbraw/zinc/18/59/28/1045185928.db2.gz JCBINDWTJKSIPO-OAHLLOKOSA-N -1 3 375.252 3.957 20 0 GHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1S(=O)(=O)C(F)(F)F ZINC001295971449 1045203201 /nfs/dbraw/zinc/20/32/01/1045203201.db2.gz DFKYTUDRRTWVDZ-UHFFFAOYSA-N -1 3 379.743 3.591 20 0 GHADHM COc1ccc(C[C@H](C)CNC(=O)c2cc(SC)ccc2[O-])cc1OC ZINC001295988172 1045210124 /nfs/dbraw/zinc/21/01/24/1045210124.db2.gz LZBKKJCYDPGKKU-ZDUSSCGKSA-N -1 3 375.490 3.740 20 0 GHADHM COc1cc([N-]S(=O)(=O)c2cccnc2)c(Br)cc1C(C)(C)C ZINC001259608821 1045243274 /nfs/dbraw/zinc/24/32/74/1045243274.db2.gz FMWIYBQUQOBYGJ-UHFFFAOYSA-N -1 3 399.310 3.951 20 0 GHADHM O=C(CSc1ccccc1)Nc1ccc(I)cc1[O-] ZINC001296282967 1045294978 /nfs/dbraw/zinc/29/49/78/1045294978.db2.gz MNNYJWRIFVSYEF-UHFFFAOYSA-N -1 3 385.226 3.728 20 0 GHADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(I)cc1[O-] ZINC001296284212 1045295518 /nfs/dbraw/zinc/29/55/18/1045295518.db2.gz ZMIQVSOVDILMEH-QMTHXVAHSA-N -1 3 389.233 3.531 20 0 GHADHM CCC[C@@H](C(=O)Nc1ccc(I)cc1[O-])c1ccccn1 ZINC001296291884 1045296674 /nfs/dbraw/zinc/29/66/74/1045296674.db2.gz UORWFIKWEHSTDZ-GFCCVEGCSA-N -1 3 396.228 3.914 20 0 GHADHM Cc1cc(O)c([N-]S(=O)(=O)CCc2cccc(F)c2)cc1Br ZINC001259774694 1045297866 /nfs/dbraw/zinc/29/78/66/1045297866.db2.gz JRENHQFTRBKXIA-UHFFFAOYSA-N -1 3 388.258 3.587 20 0 GHADHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c(F)c1 ZINC001259774394 1045298382 /nfs/dbraw/zinc/29/83/82/1045298382.db2.gz UYHNWWOOIUSKPK-UHFFFAOYSA-N -1 3 397.443 3.905 20 0 GHADHM Cc1cccc2c1CN(C(=O)c1c[n-]c3ccc(Br)cc3c1=O)CC2 ZINC001296347760 1045302346 /nfs/dbraw/zinc/30/23/46/1045302346.db2.gz WQUHJFXDIZOZJA-UHFFFAOYSA-N -1 3 397.272 3.798 20 0 GHADHM O=C(c1ccc([N-]S(=O)(=O)CCc2ccccc2F)cc1)C(F)(F)F ZINC001259786451 1045304316 /nfs/dbraw/zinc/30/43/16/1045304316.db2.gz VXPDXXXCNBPRNH-UHFFFAOYSA-N -1 3 375.343 3.555 20 0 GHADHM O=S(=O)(CCC(F)(F)F)[N-]c1cc(F)c(Br)cc1Cl ZINC001259873224 1045326592 /nfs/dbraw/zinc/32/65/92/1045326592.db2.gz JBDUQCLYFCHPOK-UHFFFAOYSA-N -1 3 384.576 3.936 20 0 GHADHM CC[C@H](CN(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC001296703136 1045357542 /nfs/dbraw/zinc/35/75/42/1045357542.db2.gz YIBRIZQQXWMOBQ-GOSISDBHSA-N -1 3 382.504 3.863 20 0 GHADHM O=c1[nH]ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1Cl ZINC001260319082 1045459148 /nfs/dbraw/zinc/45/91/48/1045459148.db2.gz SASLRDCAPVVVEF-UHFFFAOYSA-N -1 3 387.166 3.914 20 0 GHADHM COc1ccccc1CO[N-]C(=O)Cc1ccc(Br)cc1Cl ZINC001297138822 1045462349 /nfs/dbraw/zinc/46/23/49/1045462349.db2.gz USMWSQOHCUHQAL-UHFFFAOYSA-N -1 3 384.657 3.902 20 0 GHADHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cn[nH]c(=O)c1Cl ZINC001260341543 1045468509 /nfs/dbraw/zinc/46/85/09/1045468509.db2.gz RFBLFKOBZQGTDE-UHFFFAOYSA-N -1 3 390.273 3.813 20 0 GHADHM O=C(Nc1c[nH]nc1-c1ccccc1F)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001297168297 1045468677 /nfs/dbraw/zinc/46/86/77/1045468677.db2.gz XEEXGALTXIZSKU-UHFFFAOYSA-N -1 3 384.317 3.588 20 0 GHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Cl)c1cccc2nsnc21 ZINC001260382918 1045484691 /nfs/dbraw/zinc/48/46/91/1045484691.db2.gz LANPSYPQCKEGQY-UHFFFAOYSA-N -1 3 394.787 3.559 20 0 GHADHM CCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc21 ZINC001260453257 1045499407 /nfs/dbraw/zinc/49/94/07/1045499407.db2.gz VZAMYOCSMQPMNL-UHFFFAOYSA-N -1 3 398.484 3.756 20 0 GHADHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C ZINC001260462328 1045503258 /nfs/dbraw/zinc/50/32/58/1045503258.db2.gz IANDUYGXQGFOMP-UHFFFAOYSA-N -1 3 381.295 3.551 20 0 GHADHM COC(=O)c1cccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC001260472753 1045509303 /nfs/dbraw/zinc/50/93/03/1045509303.db2.gz CVDPKUJYDSPDJO-MRVPVSSYSA-N -1 3 394.301 3.881 20 0 GHADHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC001260500189 1045518255 /nfs/dbraw/zinc/51/82/55/1045518255.db2.gz WHCUGMOAAFIPFH-UHFFFAOYSA-N -1 3 377.315 3.728 20 0 GHADHM COc1ccc(Oc2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)nc2)cc1 ZINC001462919849 1070661659 /nfs/dbraw/zinc/66/16/59/1070661659.db2.gz ADPFMMPUHOPHAP-UHFFFAOYSA-N -1 3 377.360 3.513 20 0 GHADHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2F)cc1 ZINC001260572450 1045558646 /nfs/dbraw/zinc/55/86/46/1045558646.db2.gz VIOTZZODGZMUKV-UHFFFAOYSA-N -1 3 395.452 3.982 20 0 GHADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cc(F)cc1Br ZINC001260642764 1045587943 /nfs/dbraw/zinc/58/79/43/1045587943.db2.gz CYTFHWIJSGKQFY-UHFFFAOYSA-N -1 3 392.221 3.845 20 0 GHADHM CCCC[C@@](CC)([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OCC ZINC001260698414 1045615759 /nfs/dbraw/zinc/61/57/59/1045615759.db2.gz CCNWVWZCTKJUFI-QGZVFWFLSA-N -1 3 375.918 3.662 20 0 GHADHM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC001260754982 1045638802 /nfs/dbraw/zinc/63/88/02/1045638802.db2.gz FPHCWIXELRZCPX-UHFFFAOYSA-N -1 3 377.224 3.839 20 0 GHADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(F)cc1Cl ZINC001260760568 1045642126 /nfs/dbraw/zinc/64/21/26/1045642126.db2.gz QYOLAFYVXKVHDT-UHFFFAOYSA-N -1 3 375.780 3.514 20 0 GHADHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001260809789 1045675870 /nfs/dbraw/zinc/67/58/70/1045675870.db2.gz BVGPKCBJTJSSKR-UHFFFAOYSA-N -1 3 394.321 3.743 20 0 GHADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001462957700 1070690570 /nfs/dbraw/zinc/69/05/70/1070690570.db2.gz HFOLBNXVESFFJD-SOUVJXGZSA-N -1 3 385.501 3.599 20 0 GHADHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H](C)c2ccccc21 ZINC001261062470 1045881118 /nfs/dbraw/zinc/88/11/18/1045881118.db2.gz IBUDZBFQQKYHOU-JOYOIKCWSA-N -1 3 385.894 3.715 20 0 GHADHM Cc1cccc(C2(C[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)CCCC2)c1 ZINC001462981551 1070707539 /nfs/dbraw/zinc/70/75/39/1070707539.db2.gz LDELBBHRBNGWKI-UHFFFAOYSA-N -1 3 382.888 3.973 20 0 GHADHM CC(=O)c1cccc(NC(=O)CN(Cc2cccnc2)c2ccccc2)c1[O-] ZINC001298744954 1045936962 /nfs/dbraw/zinc/93/69/62/1045936962.db2.gz WTRADDCWAIYDLV-UHFFFAOYSA-N -1 3 375.428 3.635 20 0 GHADHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc2cc(C)ccc2c1)c1ccccc1 ZINC001463033796 1070745633 /nfs/dbraw/zinc/74/56/33/1070745633.db2.gz YVXAGRJXHIRPRU-NRFANRHFSA-N -1 3 383.469 3.515 20 0 GHADHM O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001262142359 1046200836 /nfs/dbraw/zinc/20/08/36/1046200836.db2.gz VCRSHCCUTNUCEI-CQSZACIVSA-N -1 3 375.428 3.759 20 0 GHADHM COc1ccc2c(c1)N(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)CCO2 ZINC001262170013 1046204829 /nfs/dbraw/zinc/20/48/29/1046204829.db2.gz AJICXRWHGARTHS-UHFFFAOYSA-N -1 3 391.449 3.538 20 0 GHADHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001262377866 1046254470 /nfs/dbraw/zinc/25/44/70/1046254470.db2.gz JWKXZKKRXCDWHN-AWEZNQCLSA-N -1 3 397.425 3.547 20 0 GHADHM CCCO[C@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)CC1 ZINC001262845269 1046379351 /nfs/dbraw/zinc/37/93/51/1046379351.db2.gz UQALNEBZJOQHBP-INIZCTEOSA-N -1 3 392.931 3.745 20 0 GHADHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2csnc2-c2ccccc2)cn1 ZINC001463072733 1070774359 /nfs/dbraw/zinc/77/43/59/1070774359.db2.gz QNUFGCSIUNNIDR-ZDUSSCGKSA-N -1 3 376.507 3.627 20 0 GHADHM CCN(Cc1ccc(Cl)s1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001263009913 1046497819 /nfs/dbraw/zinc/49/78/19/1046497819.db2.gz LEEHTIUHFBNOMI-UHFFFAOYSA-N -1 3 378.889 3.510 20 0 GHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccc(C)c(Br)c3C2)c1 ZINC001301354111 1046507846 /nfs/dbraw/zinc/50/78/46/1046507846.db2.gz IWAIJNLHPBLUBZ-UHFFFAOYSA-N -1 3 389.249 3.578 20 0 GHADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC001463101438 1070794462 /nfs/dbraw/zinc/79/44/62/1070794462.db2.gz YYLCJFNOHCRLPU-UWVGGRQHSA-N -1 3 387.420 3.677 20 0 GHADHM O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1ccc2oc(=S)[n-]c2c1 ZINC001302568322 1046981296 /nfs/dbraw/zinc/98/12/96/1046981296.db2.gz CSAKWEMMEICVGH-QGZVFWFLSA-N -1 3 381.501 3.901 20 0 GHADHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2c(F)ccc(Br)c2F)o1 ZINC001463158151 1070863762 /nfs/dbraw/zinc/86/37/62/1070863762.db2.gz PNDZSTICGVUHNM-XVNBXDOJSA-N -1 3 386.148 3.759 20 0 GHADHM Cc1cc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)ccc1Cl ZINC001264153392 1047254786 /nfs/dbraw/zinc/25/47/86/1047254786.db2.gz IIBGCEPISRNEIQ-UHFFFAOYSA-N -1 3 385.844 3.693 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)CC1 ZINC000605022572 1047264708 /nfs/dbraw/zinc/26/47/08/1047264708.db2.gz MYWNDWXBGVIJLZ-OAHLLOKOSA-N -1 3 395.459 3.645 20 0 GHADHM COc1cc([N-]C(=O)c2ncc(Br)s2)c2nccc(OC)c2c1 ZINC001303293167 1047345331 /nfs/dbraw/zinc/34/53/31/1047345331.db2.gz ABXBTJANESVNCA-UHFFFAOYSA-N -1 3 394.250 3.723 20 0 GHADHM COc1ccc(C(=O)N2CCc3cc(C)c(Br)cc3C2)c([O-])c1 ZINC001304021556 1047563230 /nfs/dbraw/zinc/56/32/30/1047563230.db2.gz MJIIQCJXLUEVFP-UHFFFAOYSA-N -1 3 376.250 3.670 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)Nc3cc(C(=O)OC(C)C)n[n-]3)nc2)c1 ZINC001304106674 1047588227 /nfs/dbraw/zinc/58/82/27/1047588227.db2.gz JEPSKGWEDNAYLK-UHFFFAOYSA-N -1 3 380.404 3.723 20 0 GHADHM Cc1cccc(Oc2ccc(C(=O)Nc3cc(C(=O)OC(C)C)[n-]n3)nc2)c1 ZINC001304106674 1047588233 /nfs/dbraw/zinc/58/82/33/1047588233.db2.gz JEPSKGWEDNAYLK-UHFFFAOYSA-N -1 3 380.404 3.723 20 0 GHADHM C[C@H](NC(=O)c1c(Cl)cccc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001304131361 1047595353 /nfs/dbraw/zinc/59/53/53/1047595353.db2.gz HVEGGAVAPJFYOT-YFKPBYRVSA-N -1 3 397.582 3.730 20 0 GHADHM CSc1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001265542628 1047628076 /nfs/dbraw/zinc/62/80/76/1047628076.db2.gz LUVXJVZBZLMPGP-UHFFFAOYSA-N -1 3 396.509 3.511 20 0 GHADHM COC[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccc(C)o1 ZINC001265637603 1047643000 /nfs/dbraw/zinc/64/30/00/1047643000.db2.gz WAOKKCINODRDCE-ZDUSSCGKSA-N -1 3 388.208 3.946 20 0 GHADHM CCCc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC001265747455 1047666430 /nfs/dbraw/zinc/66/64/30/1047666430.db2.gz KEGSZLPCIZFHPX-UHFFFAOYSA-N -1 3 379.453 3.684 20 0 GHADHM COC(=O)c1cc(NC(=O)c2csc3c2CC[C@@H](C)C3)c([O-])c(OC)c1 ZINC001304498816 1047693568 /nfs/dbraw/zinc/69/35/68/1047693568.db2.gz RCZGMHIQELWZHX-SNVBAGLBSA-N -1 3 375.446 3.626 20 0 GHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c(C)n1Cc1ccco1 ZINC001304814564 1047780024 /nfs/dbraw/zinc/78/00/24/1047780024.db2.gz PTCVJFIVNSDTDK-QAQDUYKDSA-N -1 3 394.475 3.698 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1[O-] ZINC001304883592 1047799566 /nfs/dbraw/zinc/79/95/66/1047799566.db2.gz CONIULGBAJHHPH-UHFFFAOYSA-N -1 3 386.411 3.889 20 0 GHADHM O=C(Nc1cccnc1C(=O)c1ccc(F)cc1)c1cnc2ccccc2c1[O-] ZINC001287302319 1048706334 /nfs/dbraw/zinc/70/63/34/1048706334.db2.gz BXVAUCWRUIFEBL-UHFFFAOYSA-N -1 3 387.370 3.546 20 0 GHADHM CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001306706962 1048836923 /nfs/dbraw/zinc/83/69/23/1048836923.db2.gz VEPHKGMMNSVCHV-AAEUAGOBSA-N -1 3 391.472 3.641 20 0 GHADHM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C(F)(F)F)cc3)s2)s1 ZINC001287618395 1048852137 /nfs/dbraw/zinc/85/21/37/1048852137.db2.gz UKGHILIQJQYYRM-UHFFFAOYSA-N -1 3 398.391 3.637 20 0 GHADHM CCCCOc1ccc(C(=O)NCCCc2ccc3c(c2)OCCO3)c([O-])c1 ZINC001306743585 1048857636 /nfs/dbraw/zinc/85/76/36/1048857636.db2.gz MXMHVLYEKXUEBX-UHFFFAOYSA-N -1 3 385.460 3.705 20 0 GHADHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cnc(-c2ccncc2)s1 ZINC001306826703 1048917239 /nfs/dbraw/zinc/91/72/39/1048917239.db2.gz SNGDLRRKWVUQQC-UHFFFAOYSA-N -1 3 398.835 3.602 20 0 GHADHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(OCCC(C)C)cc3)c2c1=O ZINC001306864486 1048934349 /nfs/dbraw/zinc/93/43/49/1048934349.db2.gz SGKGVFGYEKIAMA-UHFFFAOYSA-N -1 3 382.464 3.730 20 0 GHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc4c3OC(C)(C)CC4=O)c[n-]c12 ZINC001306883792 1048943504 /nfs/dbraw/zinc/94/35/04/1048943504.db2.gz GIGFCDNBFJANEV-UHFFFAOYSA-N -1 3 376.412 3.833 20 0 GHADHM COC(=O)c1cnc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c(C(F)(F)F)c1 ZINC001307230441 1049154131 /nfs/dbraw/zinc/15/41/31/1049154131.db2.gz RDKUWBKMWOAKSU-UMSPYCQHSA-N -1 3 396.369 3.521 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)COCc3cccc(Cl)c3)nc21 ZINC001289644971 1049573762 /nfs/dbraw/zinc/57/37/62/1049573762.db2.gz YACYDXOUBDSVPG-UHFFFAOYSA-N -1 3 387.823 3.548 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C4CCOCC4)cc3)nc21 ZINC001289644243 1049573930 /nfs/dbraw/zinc/57/39/30/1049573930.db2.gz OIBYUULNSCGNGN-UHFFFAOYSA-N -1 3 393.443 3.886 20 0 GHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccccc4c(OC)n3)nc21 ZINC001289644918 1049574055 /nfs/dbraw/zinc/57/40/55/1049574055.db2.gz XAJIWGLRDBLZOV-UHFFFAOYSA-N -1 3 390.399 3.549 20 0 GHADHM O=c1nc(CN[C@@H](CO)c2ccc(F)cc2)[n-]c2scc(-c3ccco3)c21 ZINC001307793505 1049595898 /nfs/dbraw/zinc/59/58/98/1049595898.db2.gz UIKSNQRIRLFEPI-AWEZNQCLSA-N -1 3 385.420 3.619 20 0 GHADHM [O-]c1ccc(CN2CCN(C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1Cl ZINC001308011882 1049760952 /nfs/dbraw/zinc/76/09/52/1049760952.db2.gz KNBKRYLPGWGGGD-PBHICJAKSA-N -1 3 392.849 3.663 20 0 GHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(C(F)(F)F)c[nH]c1=O ZINC001290876151 1049942515 /nfs/dbraw/zinc/94/25/15/1049942515.db2.gz VGMPYESIOXPIFN-UHFFFAOYSA-N -1 3 377.116 3.526 20 0 GHADHM CCOc1cc(CN2CCOc3c(cccc3C(=O)OC)C2)cc(Cl)c1[O-] ZINC001308961881 1050222225 /nfs/dbraw/zinc/22/22/25/1050222225.db2.gz BLQMKFAFGNZBRR-UHFFFAOYSA-N -1 3 391.851 3.626 20 0 GHADHM COc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc(C(C)(C)C)cc2)cc1F ZINC001309014272 1050273659 /nfs/dbraw/zinc/27/36/59/1050273659.db2.gz PNCQRLVEQWBGOY-UHFFFAOYSA-N -1 3 399.459 3.628 20 0 GHADHM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001327998387 1050352373 /nfs/dbraw/zinc/35/23/73/1050352373.db2.gz IUOOGIACGXHDCY-ZDUSSCGKSA-N -1 3 391.802 3.578 20 0 GHADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001309122202 1050378617 /nfs/dbraw/zinc/37/86/17/1050378617.db2.gz ONPKHSWKWIWSCW-YCPHGPKFSA-N -1 3 385.501 3.599 20 0 GHADHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1occc1Br ZINC001309125605 1050382902 /nfs/dbraw/zinc/38/29/02/1050382902.db2.gz RAHUTRKHUQKSCX-CYBMUJFWSA-N -1 3 388.283 3.870 20 0 GHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C ZINC001309127470 1050385352 /nfs/dbraw/zinc/38/53/52/1050385352.db2.gz GPMLXCKCDCNRCG-QWHCGFSZSA-N -1 3 381.519 3.793 20 0 GHADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c(-c2ccccc2)s1 ZINC001309178660 1050435739 /nfs/dbraw/zinc/43/57/39/1050435739.db2.gz DMCKAJBWVNGVAF-UHFFFAOYSA-N -1 3 379.532 3.789 20 0 GHADHM Cc1cccc2c1ccnc2NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001328600046 1050556178 /nfs/dbraw/zinc/55/61/78/1050556178.db2.gz CGLPBVYXTARBEF-UHFFFAOYSA-N -1 3 395.463 3.676 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001328616832 1050561177 /nfs/dbraw/zinc/56/11/77/1050561177.db2.gz QDRPMOPBITYGCQ-KRWDZBQOSA-N -1 3 399.882 3.707 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1COc2ccc(C)cc21 ZINC001309291325 1050562646 /nfs/dbraw/zinc/56/26/46/1050562646.db2.gz XQTJEBLAQOWNBA-NSHDSACASA-N -1 3 388.308 3.539 20 0 GHADHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001309321860 1050591904 /nfs/dbraw/zinc/59/19/04/1050591904.db2.gz QAXRSNZTQSDSET-UHFFFAOYSA-N -1 3 375.824 3.538 20 0 GHADHM CCO[C@@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)c1ccccc1 ZINC001309454007 1050731877 /nfs/dbraw/zinc/73/18/77/1050731877.db2.gz FSVIBFGWFNNAQY-SFHVURJKSA-N -1 3 377.437 3.936 20 0 GHADHM O=S(=O)([N-]C[C@H](NCc1ccccc1)c1ccco1)c1ccc(C(F)F)o1 ZINC001309486893 1050758889 /nfs/dbraw/zinc/75/88/89/1050758889.db2.gz YSGCSURCGHAQSZ-AWEZNQCLSA-N -1 3 396.415 3.620 20 0 GHADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c1 ZINC001309528724 1050785952 /nfs/dbraw/zinc/78/59/52/1050785952.db2.gz CONBKJDOAUXHTO-UHFFFAOYSA-N -1 3 393.461 3.696 20 0 GHADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(C)cc2C)CCCC1 ZINC001309538247 1050793412 /nfs/dbraw/zinc/79/34/12/1050793412.db2.gz BBHNPOMSEKMNBU-UHFFFAOYSA-N -1 3 395.956 3.789 20 0 GHADHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)c2C1 ZINC001309819979 1050988619 /nfs/dbraw/zinc/98/86/19/1050988619.db2.gz ZZNKYSIXEZWGIJ-UHFFFAOYSA-N -1 3 394.440 3.748 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@@H]1CCC(F)(F)C1 ZINC001309935661 1051056223 /nfs/dbraw/zinc/05/62/23/1051056223.db2.gz DXFZITPSINGDMR-VIFPVBQESA-N -1 3 388.299 3.923 20 0 GHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@H]2CCCC2(C)C)cc1OC ZINC001310175342 1051207035 /nfs/dbraw/zinc/20/70/35/1051207035.db2.gz CNTJUTGGZVNRSW-CQSZACIVSA-N -1 3 397.541 3.795 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC001331212798 1051214473 /nfs/dbraw/zinc/21/44/73/1051214473.db2.gz IAUAUHDWERHGFB-UHFFFAOYSA-N -1 3 382.489 3.844 20 0 GHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccccn1 ZINC001332274639 1051496799 /nfs/dbraw/zinc/49/67/99/1051496799.db2.gz MKYCMZCINMVSTO-ZDUSSCGKSA-N -1 3 393.818 3.824 20 0 GHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1ccccc1N1CCCCC1 ZINC001333340275 1051722326 /nfs/dbraw/zinc/72/23/26/1051722326.db2.gz AKTLQRRYUKXRRG-UHFFFAOYSA-N -1 3 379.416 3.790 20 0 GHADHM O=C(CC1CC(F)(F)C1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001333517538 1051762540 /nfs/dbraw/zinc/76/25/40/1051762540.db2.gz BCMLITPPQJETOO-GFCCVEGCSA-N -1 3 390.352 3.621 20 0 GHADHM CCOc1ccccc1OCCN1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001334716171 1051967629 /nfs/dbraw/zinc/96/76/29/1051967629.db2.gz KWCLLFZIZVGZPX-SJORKVTESA-N -1 3 391.414 3.543 20 0 GHADHM [O-]c1ccccc1-c1nnc(CN2CCC(c3nc4ccccc4o3)CC2)o1 ZINC001336770527 1052327940 /nfs/dbraw/zinc/32/79/40/1052327940.db2.gz LLIHBBYUYFSYEJ-UHFFFAOYSA-N -1 3 376.416 3.963 20 0 GHADHM CC1(C)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H]1c1ccccc1 ZINC001312562490 1052793193 /nfs/dbraw/zinc/79/31/93/1052793193.db2.gz RJHHKISOFQQKLB-CYBMUJFWSA-N -1 3 381.402 3.549 20 0 GHADHM CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)C1 ZINC001342935742 1053444777 /nfs/dbraw/zinc/44/47/77/1053444777.db2.gz DQERLTUBBRMBFA-HUUCEWRRSA-N -1 3 390.557 3.516 20 0 GHADHM COc1cc([C@H]2NC(=O)c3cc(Br)ccc3N2)cc(Cl)c1[O-] ZINC001317901628 1054298324 /nfs/dbraw/zinc/29/83/24/1054298324.db2.gz POVBNSMVQUXAHX-CQSZACIVSA-N -1 3 383.629 3.671 20 0 GHADHM Cc1nc(NC(=O)CCc2c(C)nc[n-]c2=O)sc1Cc1ccccc1F ZINC001317943061 1054320151 /nfs/dbraw/zinc/32/01/51/1054320151.db2.gz YHARATQKELHLIV-UHFFFAOYSA-N -1 3 386.452 3.557 20 0 GHADHM O=C([N-]C[C@H]1CCC[C@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC001345110065 1054906764 /nfs/dbraw/zinc/90/67/64/1054906764.db2.gz YCDABYMTCVQCNA-WPRPVWTQSA-N -1 3 386.748 3.513 20 0 GHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001319014781 1054991159 /nfs/dbraw/zinc/99/11/59/1054991159.db2.gz ADAAYPFZKZHTPQ-UHFFFAOYSA-N -1 3 382.357 3.934 20 0 GHADHM O=C([O-])[C@]1(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCCN(Cc2ccccc2)C1 ZINC001345745788 1055239293 /nfs/dbraw/zinc/23/92/93/1055239293.db2.gz PGINURTZXBBFDX-HFMPRLQTSA-N -1 3 398.547 3.829 20 0 GHADHM O=C(Nc1cc(Br)ccc1[O-])c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001319518769 1055302622 /nfs/dbraw/zinc/30/26/22/1055302622.db2.gz BBFGWCYHLUMVLD-UHFFFAOYSA-N -1 3 399.248 3.865 20 0 GHADHM O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1)c1ccc(=O)[nH]c1 ZINC001319529098 1055308863 /nfs/dbraw/zinc/30/88/63/1055308863.db2.gz OJMMCZBSJNGBKN-UHFFFAOYSA-N -1 3 383.791 3.651 20 0 GHADHM Cc1cc(Cl)cc(C)c1NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319571736 1055331838 /nfs/dbraw/zinc/33/18/38/1055331838.db2.gz KIGAHMJEESXJMX-UHFFFAOYSA-N -1 3 399.875 3.789 20 0 GHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1OC(F)F ZINC001319771883 1055457504 /nfs/dbraw/zinc/45/75/04/1055457504.db2.gz JNASWAAWPLUWTK-ZETCQYMHSA-N -1 3 399.312 3.884 20 0 GHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001320583143 1055893218 /nfs/dbraw/zinc/89/32/18/1055893218.db2.gz DQDHCHOHQCKBCA-HUUCEWRRSA-N -1 3 399.532 3.601 20 0 GHADHM CS[C@H]1CC[C@H](N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001320819762 1055973750 /nfs/dbraw/zinc/97/37/50/1055973750.db2.gz MNNJDOJAKXJXSN-RYUDHWBXSA-N -1 3 395.322 3.647 20 0 GHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)c2ccccc2)sc1Cl ZINC001320999398 1056051174 /nfs/dbraw/zinc/05/11/74/1056051174.db2.gz KALVPXGRBUGRCJ-OAHLLOKOSA-N -1 3 381.910 3.511 20 0 GHADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1F ZINC001322326206 1056630030 /nfs/dbraw/zinc/63/00/30/1056630030.db2.gz PTPMELWOTKGMPX-UHFFFAOYSA-N -1 3 392.383 3.984 20 0 GHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC000848159914 1056782516 /nfs/dbraw/zinc/78/25/16/1056782516.db2.gz LURPEYSJTSUCFU-QAPCUYQASA-N -1 3 392.249 3.906 20 0 GHADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC001322818746 1056857738 /nfs/dbraw/zinc/85/77/38/1056857738.db2.gz TVQLCIUGDJVLJP-QGZVFWFLSA-N -1 3 375.472 3.760 20 0 GHADHM CC(C)C[C@@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001323734594 1057006390 /nfs/dbraw/zinc/00/63/90/1057006390.db2.gz JAMWVXQLQLLHDL-MRXNPFEDSA-N -1 3 392.496 3.643 20 0 GHADHM CC[C@@H](C)c1nnc([C@H](CCSC)[N-]S(=O)(=O)c2ccc(C)cc2)o1 ZINC001324083283 1057067164 /nfs/dbraw/zinc/06/71/64/1057067164.db2.gz SWGWFXWIOORJEA-HIFRSBDPSA-N -1 3 383.539 3.664 20 0 GHADHM CCCCc1nc(NC(=O)c2ccc(-n3cccn3)c(F)c2)c(C(=O)OCC)[n-]1 ZINC001324547211 1057160861 /nfs/dbraw/zinc/16/08/61/1057160861.db2.gz BAUYMOVDNLFWDZ-UHFFFAOYSA-N -1 3 399.426 3.506 20 0 GHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3COc4ccccc4O3)c2)n1 ZINC001355461916 1057170763 /nfs/dbraw/zinc/17/07/63/1057170763.db2.gz RZCZUOJJMARPKP-KRWDZBQOSA-N -1 3 391.427 3.580 20 0 GHADHM CC(=O)N1CCCN(Cc2cccc([O-])c2Br)c2ccccc21 ZINC001325012793 1057262797 /nfs/dbraw/zinc/26/27/97/1057262797.db2.gz JNGVATWBTZKEGW-UHFFFAOYSA-N -1 3 375.266 3.918 20 0 GHADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC2(C)C)ccc1F ZINC001355843817 1057290752 /nfs/dbraw/zinc/29/07/52/1057290752.db2.gz JRXYRHWGHGCGFM-MRXNPFEDSA-N -1 3 384.517 3.601 20 0 GHADHM COC(=O)CCSc1ncccc1[N-]C(=O)c1csc(-c2ccco2)n1 ZINC001325859379 1057374436 /nfs/dbraw/zinc/37/44/36/1057374436.db2.gz RZAJPOCLXIYUPP-UHFFFAOYSA-N -1 3 389.458 3.706 20 0 GHADHM C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC001326098347 1057413715 /nfs/dbraw/zinc/41/37/15/1057413715.db2.gz PCXBGEONZPKCFY-STQMWFEESA-N -1 3 394.393 3.856 20 0 GHADHM CC(C)(C)OC(=O)c1c([N-]C(=O)c2cc(C3CC3)no2)sc2c1COCC2 ZINC001337807502 1058273125 /nfs/dbraw/zinc/27/31/25/1058273125.db2.gz GMZYSRZRXPYNKG-UHFFFAOYSA-N -1 3 390.461 3.894 20 0 GHADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1csc([C@@H]2CCCO2)n1 ZINC001338360188 1058529320 /nfs/dbraw/zinc/52/93/20/1058529320.db2.gz SASGILVAAMIVBY-LBPRGKRZSA-N -1 3 375.841 3.685 20 0 GHADHM O=C(NCc1cccnc1OC1CCCC1)c1cc([O-])cc(Br)c1 ZINC001441312393 1058746792 /nfs/dbraw/zinc/74/67/92/1058746792.db2.gz PXVJJDUWQVLEGZ-UHFFFAOYSA-N -1 3 391.265 3.801 20 0 GHADHM CC(C)Oc1ncccc1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001441478252 1058791513 /nfs/dbraw/zinc/79/15/13/1058791513.db2.gz WEQHOHQXDXQZFF-UHFFFAOYSA-N -1 3 392.481 3.602 20 0 GHADHM CCOc1cccc(-c2cccc(NC(=O)CCc3c(C)nc[n-]c3=O)n2)c1 ZINC001338998170 1058918691 /nfs/dbraw/zinc/91/86/91/1058918691.db2.gz IESWTVZMGYYUSC-UHFFFAOYSA-N -1 3 378.432 3.523 20 0 GHADHM CCOc1cc(F)cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c1 ZINC001339152468 1058983874 /nfs/dbraw/zinc/98/38/74/1058983874.db2.gz SAFLSUHBRZACJM-MSOLQXFVSA-N -1 3 379.378 3.803 20 0 GHADHM O=C(Nc1ccc2c(c1)CCO2)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001442611621 1058984486 /nfs/dbraw/zinc/98/44/86/1058984486.db2.gz LDXMQFIQJXBERB-UHFFFAOYSA-N -1 3 390.317 3.614 20 0 GHADHM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc([O-])cc(Br)c1 ZINC001442662613 1058990553 /nfs/dbraw/zinc/99/05/53/1058990553.db2.gz RGNOAXUERGDYHU-UHFFFAOYSA-N -1 3 377.213 3.748 20 0 GHADHM Cc1ccccc1-c1cc(NC(=O)c2cc(=O)[n-]cn2)n(Cc2ccccc2)n1 ZINC001443199696 1059081835 /nfs/dbraw/zinc/08/18/35/1059081835.db2.gz AAPCTLJKKBBSEJ-UHFFFAOYSA-N -1 3 385.427 3.655 20 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/nfs/dbraw/zinc/63/81/10/1059638110.db2.gz KDLCGKFONJVTKB-UHFFFAOYSA-N -1 3 376.412 3.807 20 0 GHADHM Cc1cccc(CO[C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC001445906855 1059652621 /nfs/dbraw/zinc/65/26/21/1059652621.db2.gz ANNDMCDIBHIHGW-ZDUSSCGKSA-N -1 3 378.266 3.685 20 0 GHADHM CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)c([O-])c1 ZINC001447063861 1059923823 /nfs/dbraw/zinc/92/38/23/1059923823.db2.gz UGZPZEHIDPOWQV-UHFFFAOYSA-N -1 3 388.470 3.909 20 0 GHADHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(Br)c1 ZINC001447872490 1060055736 /nfs/dbraw/zinc/05/57/36/1060055736.db2.gz PPDDFBYLALECKM-LJQANCHMSA-N -1 3 392.293 3.958 20 0 GHADHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001448928019 1060299078 /nfs/dbraw/zinc/29/90/78/1060299078.db2.gz ZSRKUQFGWKXNPK-INIZCTEOSA-N -1 3 398.890 3.949 20 0 GHADHM NC(=O)c1cnc(C(=O)[N-]c2ccccc2SCC(F)(F)F)c(Cl)c1 ZINC001340971893 1060300429 /nfs/dbraw/zinc/30/04/29/1060300429.db2.gz CZRWMHKPPVOLAX-UHFFFAOYSA-N -1 3 389.786 3.741 20 0 GHADHM CC(=O)NCc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1 ZINC001341036432 1060347597 /nfs/dbraw/zinc/34/75/97/1060347597.db2.gz IMNIGWMLQHLCCV-UHFFFAOYSA-N -1 3 376.445 3.528 20 0 GHADHM CC(C)[C@H](CCc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001449183200 1060348908 /nfs/dbraw/zinc/34/89/08/1060348908.db2.gz ASLYPSVSWINVAD-AOIWGVFYSA-N -1 3 397.519 3.772 20 0 GHADHM CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001450052071 1060511521 /nfs/dbraw/zinc/51/15/21/1060511521.db2.gz SQBXYVCVGNEDPX-UHFFFAOYSA-N -1 3 382.420 3.892 20 0 GHADHM CSc1ncc(C(=O)Nc2cccc(C(C)=O)c2[O-])n1-c1ccc(F)cc1 ZINC001450606771 1060633964 /nfs/dbraw/zinc/63/39/64/1060633964.db2.gz JUTBCBLNBPZLIK-UHFFFAOYSA-N -1 3 385.420 3.894 20 0 GHADHM O=C(Nc1nc(-c2cccs2)ns1)c1cc([O-])cc(Br)c1 ZINC001450704754 1060661746 /nfs/dbraw/zinc/66/17/46/1060661746.db2.gz HQYZSYXESRZROG-UHFFFAOYSA-N -1 3 382.264 3.987 20 0 GHADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC001451135483 1060741561 /nfs/dbraw/zinc/74/15/61/1060741561.db2.gz KUPAIBUFMQTHEV-BRWVUGGUSA-N -1 3 388.508 3.720 20 0 GHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC001451637576 1060805091 /nfs/dbraw/zinc/80/50/91/1060805091.db2.gz GHIXESCRXPCNIK-FUHWJXTLSA-N -1 3 388.508 3.987 20 0 GHADHM CCc1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)c([O-])c1 ZINC001452561888 1060962431 /nfs/dbraw/zinc/96/24/31/1060962431.db2.gz PXHQAKVTVCUIAY-HXUWFJFHSA-N -1 3 381.472 3.921 20 0 GHADHM CC(C)c1cc(NC(=O)c2cc(F)cc3n[n-]nc32)n(Cc2ccccc2)n1 ZINC001452646758 1060978828 /nfs/dbraw/zinc/97/88/28/1060978828.db2.gz AZDFEQLZNNFWQV-UHFFFAOYSA-N -1 3 378.411 3.718 20 0 GHADHM Cc1c(C(=O)NCc2nc(C)cc(=O)[n-]2)c2ccccc2n1Cc1ccccc1 ZINC001452733707 1060997136 /nfs/dbraw/zinc/99/71/36/1060997136.db2.gz FYEWLLQJIVQUET-UHFFFAOYSA-N -1 3 386.455 3.732 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 ZINC001346409167 1061551152 /nfs/dbraw/zinc/55/11/52/1061551152.db2.gz MLOKJRATGHBHRO-AEFFLSMTSA-N -1 3 384.476 3.661 20 0 GHADHM COCC[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC001346629885 1061743706 /nfs/dbraw/zinc/74/37/06/1061743706.db2.gz PHGGNCZQZDJOIF-MRXNPFEDSA-N -1 3 398.290 3.624 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C1(C)C ZINC001454410007 1061769678 /nfs/dbraw/zinc/76/96/78/1061769678.db2.gz DXOUBVUTHJHYHY-OCCSQVGLSA-N -1 3 390.285 3.806 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C1(C)C ZINC001454410007 1061769699 /nfs/dbraw/zinc/76/96/99/1061769699.db2.gz DXOUBVUTHJHYHY-OCCSQVGLSA-N -1 3 390.285 3.806 20 0 GHADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454932348 1061958731 /nfs/dbraw/zinc/95/87/31/1061958731.db2.gz PYRJPRSCONYTTJ-YCPHGPKFSA-N -1 3 380.410 3.622 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C[C@H]3C[C@H](C)c4c3cccc4C)C2)n1 ZINC001347305005 1062286941 /nfs/dbraw/zinc/28/69/41/1062286941.db2.gz ICLWMBXJIADBDU-JQHSSLGASA-N -1 3 394.519 3.565 20 0 GHADHM Cc1c(Br)ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1F ZINC001456383768 1062651057 /nfs/dbraw/zinc/65/10/57/1062651057.db2.gz LWBPILUUVZPUDF-ZCFIWIBFSA-N -1 3 395.154 3.525 20 0 GHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456383682 1062651222 /nfs/dbraw/zinc/65/12/22/1062651222.db2.gz LPNLDTWOBLELTJ-JGVFFNPUSA-N -1 3 378.807 3.835 20 0 GHADHM COC(=O)c1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)c([O-])c(OC)c1 ZINC001456742793 1062836191 /nfs/dbraw/zinc/83/61/91/1062836191.db2.gz CTWZYNGZAPKKGD-UHFFFAOYSA-N -1 3 394.383 3.627 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cccnc1 ZINC001456798768 1062860707 /nfs/dbraw/zinc/86/07/07/1062860707.db2.gz IDENPUJMWIMASQ-LJQANCHMSA-N -1 3 378.432 3.540 20 0 GHADHM CC(C)[C@@H](C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cccnc1 ZINC001456798768 1062860733 /nfs/dbraw/zinc/86/07/33/1062860733.db2.gz IDENPUJMWIMASQ-LJQANCHMSA-N -1 3 378.432 3.540 20 0 GHADHM CC(C)(C)c1ncc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)s1 ZINC001456798757 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3 384.810 3.612 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438030267 1063969266 /nfs/dbraw/zinc/96/92/66/1063969266.db2.gz CHAGNMRZUUFQRQ-PKNBQFBNSA-N -1 3 391.836 3.531 20 0 GHADHM CC(=Cc1ccco1)C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438030267 1063969270 /nfs/dbraw/zinc/96/92/70/1063969270.db2.gz CHAGNMRZUUFQRQ-PKNBQFBNSA-N -1 3 391.836 3.531 20 0 GHADHM O=c1[n-]c(SCc2ccc(Cl)cn2)nc2c1cnn2Cc1ccccc1 ZINC001459182864 1064016159 /nfs/dbraw/zinc/01/61/59/1064016159.db2.gz WBXDLWFGZYQZNY-UHFFFAOYSA-N -1 3 383.864 3.921 20 0 GHADHM Cc1nc(-c2nnc(N(Cc3ccccc3)C(C)C)n2CC2CC2)cc(=O)[n-]1 ZINC001350537056 1064118433 /nfs/dbraw/zinc/11/84/33/1064118433.db2.gz CAVRRPAAIUUAEP-UHFFFAOYSA-N -1 3 378.480 3.574 20 0 GHADHM CC(C)(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC001463537451 1064445335 /nfs/dbraw/zinc/44/53/35/1064445335.db2.gz BMGRDRDDKCPLHI-YPCHGGDPSA-N -1 3 386.583 3.973 20 0 GHADHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc(F)c(F)c(F)c1 ZINC001463635479 1064516993 /nfs/dbraw/zinc/51/69/93/1064516993.db2.gz SOQQGLQBAXLPCS-UMSPYCQHSA-N -1 3 375.799 3.982 20 0 GHADHM CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)OC ZINC001463736711 1064579603 /nfs/dbraw/zinc/57/96/03/1064579603.db2.gz IZBBEMSMAFYBRS-ZDUSSCGKSA-N -1 3 384.723 3.504 20 0 GHADHM Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC001463751592 1064587762 /nfs/dbraw/zinc/58/77/62/1064587762.db2.gz TYZAFFUFMQQNPZ-LLVKDONJSA-N -1 3 384.832 3.995 20 0 GHADHM COCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC001463885463 1064695388 /nfs/dbraw/zinc/69/53/88/1064695388.db2.gz VQZVJJAFXCRSLX-UHFFFAOYSA-N -1 3 396.734 3.588 20 0 GHADHM CCN(CC)[C@@H](CNC(=O)c1cccc(Cl)c1[O-])c1cccc(OC)c1 ZINC001463917409 1064717470 /nfs/dbraw/zinc/71/74/70/1064717470.db2.gz PHSPRAWVYLVQHG-SFHVURJKSA-N -1 3 376.884 3.867 20 0 GHADHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC001463934863 1064727268 /nfs/dbraw/zinc/72/72/68/1064727268.db2.gz LEUZAEVPZWQMSS-QMMMGPOBSA-N -1 3 393.303 3.647 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)c(Br)c2)c([O-])c1 ZINC001463987379 1064755419 /nfs/dbraw/zinc/75/54/19/1064755419.db2.gz WIUXGQGCIXNLHS-UHFFFAOYSA-N -1 3 391.265 3.530 20 0 GHADHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3cc(Cl)ccc3C)on2)cc1 ZINC001464055489 1064792462 /nfs/dbraw/zinc/79/24/62/1064792462.db2.gz SNZSZDKKAYDNTB-UHFFFAOYSA-N -1 3 392.864 3.791 20 0 GHADHM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001464060950 1064794173 /nfs/dbraw/zinc/79/41/73/1064794173.db2.gz USSPEUCFVKDVEY-CYBMUJFWSA-N -1 3 376.375 3.539 20 0 GHADHM C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001464083246 1064807560 /nfs/dbraw/zinc/80/75/60/1064807560.db2.gz QKUJBQHDLGVDCH-CYBMUJFWSA-N -1 3 386.970 3.953 20 0 GHADHM COC(C)(C)CC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001464309441 1064950738 /nfs/dbraw/zinc/95/07/38/1064950738.db2.gz UOZXOUIRHXCROK-UHFFFAOYSA-N -1 3 384.723 3.504 20 0 GHADHM CCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)c([O-])c1 ZINC001464318051 1064953542 /nfs/dbraw/zinc/95/35/42/1064953542.db2.gz IJOGADCELPFYHE-UHFFFAOYSA-N -1 3 390.505 3.544 20 0 GHADHM Cc1ccc([C@H](CNC(=O)c2cc(Br)c(F)cc2[O-])N(C)C)cc1 ZINC001464536322 1065069137 /nfs/dbraw/zinc/06/91/37/1065069137.db2.gz ALYUHUKQNXJRPP-INIZCTEOSA-N -1 3 395.272 3.635 20 0 GHADHM COC(C)(C)c1nsc([N-]C(=O)c2cnc(Cl)cc2C(F)(F)F)n1 ZINC001352496273 1065082637 /nfs/dbraw/zinc/08/26/37/1065082637.db2.gz HYVIFZKGGFVTIK-UHFFFAOYSA-N -1 3 380.779 3.739 20 0 GHADHM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3cccc4ccoc43)on2)c1 ZINC001464636811 1065126864 /nfs/dbraw/zinc/12/68/64/1065126864.db2.gz HCACCJPVCYVBKS-UHFFFAOYSA-N -1 3 384.413 3.575 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C2CCCC2)sc1Br ZINC001464852903 1065245637 /nfs/dbraw/zinc/24/56/37/1065245637.db2.gz QELDSTILINNNBU-NEPJUHHUSA-N -1 3 378.357 3.924 20 0 GHADHM CC(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1[O-] ZINC001465091723 1065387259 /nfs/dbraw/zinc/38/72/59/1065387259.db2.gz UGWXITFSMHFLOB-UHFFFAOYSA-N -1 3 387.798 3.884 20 0 GHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c1 ZINC001465269353 1065515483 /nfs/dbraw/zinc/51/54/83/1065515483.db2.gz QDSRTWNOAAKVJT-CQSZACIVSA-N -1 3 392.459 3.938 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001200196942 1065552843 /nfs/dbraw/zinc/55/28/43/1065552843.db2.gz IZFJXXGNMRIMOJ-NSHDSACASA-N -1 3 384.406 3.943 20 0 GHADHM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847557077 1065598182 /nfs/dbraw/zinc/59/81/82/1065598182.db2.gz AJUPBXUDGRXZHF-FQEVSTJZSA-N -1 3 389.455 3.978 20 0 GHADHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847557663 1065600430 /nfs/dbraw/zinc/60/04/30/1065600430.db2.gz GHAOCSPPBIRPIC-HXUWFJFHSA-N -1 3 389.455 3.978 20 0 GHADHM CCSCC[C@H](C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001465451253 1065626924 /nfs/dbraw/zinc/62/69/24/1065626924.db2.gz HJVMJVBYRSXRDT-JTQLQIEISA-N -1 3 383.311 3.552 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC001300193993 1065630143 /nfs/dbraw/zinc/63/01/43/1065630143.db2.gz DZDPQJNYSJBBPL-UHFFFAOYSA-N -1 3 388.452 3.616 20 0 GHADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC001465650081 1065770082 /nfs/dbraw/zinc/77/00/82/1065770082.db2.gz AYBNIMOZHSMTGG-UHFFFAOYSA-N -1 3 384.442 3.787 20 0 GHADHM Cc1ccc(CNC(=S)Nc2ccc(I)cc2[O-])cc1 ZINC001200319527 1065911166 /nfs/dbraw/zinc/91/11/66/1065911166.db2.gz SZRUNYMJQZXQIL-UHFFFAOYSA-N -1 3 398.269 3.792 20 0 GHADHM COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001466255862 1066058549 /nfs/dbraw/zinc/05/85/49/1066058549.db2.gz ZJHXFXNDDDCJLP-UHFFFAOYSA-N -1 3 382.229 3.504 20 0 GHADHM O=C(Nc1ccc(I)cc1[O-])[C@H]1CCc2cc(F)ccc21 ZINC001466819022 1066335766 /nfs/dbraw/zinc/33/57/66/1066335766.db2.gz OCYYMDRMRXDDDN-ZDUSSCGKSA-N -1 3 397.187 3.804 20 0 GHADHM O=C(CCOc1ccc(F)cc1)[N-]OCc1ccc(F)cc1Br ZINC001466940413 1066402772 /nfs/dbraw/zinc/40/27/72/1066402772.db2.gz WFRXAIWHMRRFCH-UHFFFAOYSA-N -1 3 386.192 3.744 20 0 GHADHM CCOC(=O)[C@@H](CC)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC001466945269 1066406371 /nfs/dbraw/zinc/40/63/71/1066406371.db2.gz USYCZUZQIPQMFP-HXUWFJFHSA-N -1 3 381.472 3.929 20 0 GHADHM COC(=O)c1ccc(OC(=O)c2cccc(Cl)c2[O-])c(Br)c1 ZINC001357515770 1067141069 /nfs/dbraw/zinc/14/10/69/1067141069.db2.gz IQVVWMOXHBUCKX-UHFFFAOYSA-N -1 3 385.597 3.814 20 0 GHADHM C[C@H](NC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001467197140 1067143504 /nfs/dbraw/zinc/14/35/04/1067143504.db2.gz BEZBVIUTPBLXGV-RCOVLWMOSA-N -1 3 397.735 3.844 20 0 GHADHM CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C[C@H]2CNc3ccccc32)c1 ZINC001358342416 1067489499 /nfs/dbraw/zinc/48/94/99/1067489499.db2.gz QCVMFEFVGOOPMS-GJZGRUSLSA-N -1 3 384.501 3.555 20 0 GHADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1c[n-]c2ccccc2c1=O ZINC001358440062 1067525523 /nfs/dbraw/zinc/52/55/23/1067525523.db2.gz QXXOCKFZPXSOGH-UHFFFAOYSA-N -1 3 381.338 3.930 20 0 GHADHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC001546166546 1067598803 /nfs/dbraw/zinc/59/88/03/1067598803.db2.gz UFQVKIPFPNLZKD-QFYYESIMSA-N -1 3 382.229 3.800 20 0 GHADHM O=C([N-]C[C@@H](O)Cc1cccc(F)c1)C(F)(F)c1cccc(Cl)c1Cl ZINC001468474134 1067744921 /nfs/dbraw/zinc/74/49/21/1067744921.db2.gz YUJVTXMVPZHBOJ-LBPRGKRZSA-N -1 3 392.204 3.944 20 0 GHADHM O=c1[n-]c(Cn2ccnc2[C@@H](O)C2CCCCC2)nc2c3ccccc3oc21 ZINC000849943983 1068011618 /nfs/dbraw/zinc/01/16/18/1068011618.db2.gz OMXOPJVIPZDPNM-SFHVURJKSA-N -1 3 378.432 3.940 20 0 GHADHM COc1ccc([O-])c(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c1 ZINC001469202111 1068025771 /nfs/dbraw/zinc/02/57/71/1068025771.db2.gz DFUBVQSCXRUKTJ-UHFFFAOYSA-N -1 3 377.322 3.858 20 0 GHADHM Cc1cc2n[n-]c(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)c2c(=O)n1C ZINC001469294078 1068084581 /nfs/dbraw/zinc/08/45/81/1068084581.db2.gz UDMWICNDPQSDFQ-UHFFFAOYSA-N -1 3 399.863 3.599 20 0 GHADHM CCCO[N-]C(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001469428201 1068158551 /nfs/dbraw/zinc/15/85/51/1068158551.db2.gz KUEXCXNZDAYCBK-LBPRGKRZSA-N -1 3 375.250 3.708 20 0 GHADHM C[C@@H]1C[C@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC(C)(C)C1 ZINC001469557151 1068222407 /nfs/dbraw/zinc/22/24/07/1068222407.db2.gz FGNMWTYWSBDAPF-BARDWOONSA-N -1 3 376.463 3.897 20 0 GHADHM COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC001470195340 1068619661 /nfs/dbraw/zinc/61/96/61/1068619661.db2.gz VHMWUELBJJUMEC-LBPRGKRZSA-N -1 3 383.375 3.877 20 0 GHADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001546179605 1068666755 /nfs/dbraw/zinc/66/67/55/1068666755.db2.gz QZVFOLIQVAKEOP-IBGZPJMESA-N -1 3 396.462 3.712 20 0 GHADHM Cc1nc(C)c(CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)s1 ZINC001460653328 1069060100 /nfs/dbraw/zinc/06/01/00/1069060100.db2.gz SAINTTDGEYLIIS-CYBMUJFWSA-N -1 3 383.439 3.932 20 0 GHADHM O=C(CCc1ccc(Br)cc1F)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001460821021 1069202262 /nfs/dbraw/zinc/20/22/62/1069202262.db2.gz WZXHUXRPRFZJAL-UHFFFAOYSA-N -1 3 394.244 3.534 20 0 GHADHM CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001470500545 1072594820 /nfs/dbraw/zinc/59/48/20/1072594820.db2.gz ZIVNBENPWZKPCT-BUXKBTBVSA-N -1 3 380.872 3.565 20 0 GHADHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N[C@H]1CCCC12CC2 ZINC001470949839 1072840996 /nfs/dbraw/zinc/84/09/96/1072840996.db2.gz ODFURYCCRXWVPE-UXHICEINSA-N -1 3 378.472 3.702 20 0 GHADHM C[C@@H](NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC001478854086 1079003994 /nfs/dbraw/zinc/00/39/94/1079003994.db2.gz HMYKIXIUKUJMBT-CJNGLKHVSA-N -1 3 397.441 3.775 20 0 GHADHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC001471399840 1073053213 /nfs/dbraw/zinc/05/32/13/1073053213.db2.gz OTPBCZUDGGLBST-OAHLLOKOSA-N -1 3 392.421 3.936 20 0 GHADHM O=C(CCSc1ccccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471679128 1073175844 /nfs/dbraw/zinc/17/58/44/1073175844.db2.gz QIURTXPJAKAUTH-UHFFFAOYSA-N -1 3 375.881 3.738 20 0 GHADHM COC(=O)CC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001471681189 1073176514 /nfs/dbraw/zinc/17/65/14/1073176514.db2.gz OYYBTKNYEJWOAU-MRXNPFEDSA-N -1 3 383.444 3.990 20 0 GHADHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccnc1Sc1ccccc1 ZINC001471811244 1073224515 /nfs/dbraw/zinc/22/45/15/1073224515.db2.gz VFLHCRBKDVVIQS-UHFFFAOYSA-N -1 3 378.457 3.536 20 0 GHADHM COC(=O)c1cc(NC(=O)c2cccc(Nc3nccs3)c2)c([O-])c(OC)c1 ZINC001472229178 1073375937 /nfs/dbraw/zinc/37/59/37/1073375937.db2.gz AQYJMVBEZSAHLS-UHFFFAOYSA-N -1 3 399.428 3.640 20 0 GHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCO1 ZINC001472241275 1073380726 /nfs/dbraw/zinc/38/07/26/1073380726.db2.gz NLOGIDHSYYXCPP-SJLPKXTDSA-N -1 3 385.464 3.547 20 0 GHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCO1 ZINC001472241275 1073380738 /nfs/dbraw/zinc/38/07/38/1073380738.db2.gz NLOGIDHSYYXCPP-SJLPKXTDSA-N -1 3 385.464 3.547 20 0 GHADHM Cn1cncc1C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001472397075 1073465836 /nfs/dbraw/zinc/46/58/36/1073465836.db2.gz ROZZDOHKISWTRF-UHFFFAOYSA-N -1 3 389.499 3.931 20 0 GHADHM CC(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c([O-])c1 ZINC001472439913 1073490470 /nfs/dbraw/zinc/49/04/70/1073490470.db2.gz JGIFFGYRTCDCNK-HOTGVXAUSA-N -1 3 380.460 3.593 20 0 GHADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3nc4c(cc(Cl)cc4F)s3)C2)n1 ZINC001472877582 1073707580 /nfs/dbraw/zinc/70/75/80/1073707580.db2.gz WUYRATUVWMSLBP-LLVKDONJSA-N -1 3 393.875 3.974 20 0 GHADHM O=S(=O)([N-]CCOc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001474766439 1074550323 /nfs/dbraw/zinc/55/03/23/1074550323.db2.gz AJYMPYLDANGUDI-UHFFFAOYSA-N -1 3 394.905 3.821 20 0 GHADHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC001474980085 1074665395 /nfs/dbraw/zinc/66/53/95/1074665395.db2.gz BBNROPSDWYXYIO-OLZOCXBDSA-N -1 3 386.336 3.729 20 0 GHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)Cc1cccs1 ZINC001475034036 1074698154 /nfs/dbraw/zinc/69/81/54/1074698154.db2.gz FAMWKKDNRISBLV-SNVBAGLBSA-N -1 3 392.315 3.807 20 0 GHADHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC001475037150 1074701825 /nfs/dbraw/zinc/70/18/25/1074701825.db2.gz UUVBFADKUKWIFN-GFCCVEGCSA-N -1 3 393.436 3.635 20 0 GHADHM CC(C)(C)[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCc1ccccc1 ZINC001475141129 1074754592 /nfs/dbraw/zinc/75/45/92/1074754592.db2.gz ZLUZHPYJHAUPQV-GOSISDBHSA-N -1 3 393.549 3.644 20 0 GHADHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCO1 ZINC001475163107 1074764336 /nfs/dbraw/zinc/76/43/36/1074764336.db2.gz YRSTZCOHAKQQCY-GWCFXTLKSA-N -1 3 388.942 3.822 20 0 GHADHM O=c1[nH]c2ccc(S(=O)(=O)[N-][C@H](C3CCCCC3)C(F)(F)F)cc2s1 ZINC001475185459 1074775281 /nfs/dbraw/zinc/77/52/81/1074775281.db2.gz OMWZQNFRLGJKLL-CYBMUJFWSA-N -1 3 394.440 3.791 20 0 GHADHM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1cccc(C)c1C ZINC001475222636 1074792897 /nfs/dbraw/zinc/79/28/97/1074792897.db2.gz PGFVIXZBESSUHY-GOSISDBHSA-N -1 3 395.908 3.681 20 0 GHADHM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C)cc1F)c1ccc(OC)c(OC)c1 ZINC001475290571 1074824331 /nfs/dbraw/zinc/82/43/31/1074824331.db2.gz YNTVPWGADMKDNC-HNNXBMFYSA-N -1 3 385.432 3.720 20 0 GHADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Br)cc1C(F)(F)F ZINC001475378573 1074854332 /nfs/dbraw/zinc/85/43/32/1074854332.db2.gz UWNJVJSPKRCHBJ-UBHAPETDSA-N -1 3 398.244 3.935 20 0 GHADHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)OCC1CC1 ZINC001475397893 1074860379 /nfs/dbraw/zinc/86/03/79/1074860379.db2.gz DXAVTQDTWWDTNX-UHFFFAOYSA-N -1 3 396.734 3.586 20 0 GHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1[O-] ZINC001546206020 1074885171 /nfs/dbraw/zinc/88/51/71/1074885171.db2.gz YPGPJJDVYVYOPY-CYBMUJFWSA-N -1 3 393.270 3.910 20 0 GHADHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Br)ccc2C)c(F)cc1F ZINC001475502648 1074898623 /nfs/dbraw/zinc/89/86/23/1074898623.db2.gz HXCOSZMJNVMPPD-UHFFFAOYSA-N -1 3 390.249 3.823 20 0 GHADHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC001475535762 1074907441 /nfs/dbraw/zinc/90/74/41/1074907441.db2.gz JQJAXNBEXSPGSB-LKFCYVNXSA-N -1 3 378.252 3.533 20 0 GHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ccc(Br)cc3c2)o1 ZINC001475628294 1074988668 /nfs/dbraw/zinc/98/86/68/1074988668.db2.gz MQRVDVURAJHFRE-UHFFFAOYSA-N -1 3 380.263 3.982 20 0 GHADHM O=S(=O)([N-]CC[C@@H]1CCC2(CCC2)O1)c1ccc(C(F)(F)F)nc1Cl ZINC001475714987 1075005960 /nfs/dbraw/zinc/00/59/60/1075005960.db2.gz VLIJQECSYGEVRK-JTQLQIEISA-N -1 3 398.834 3.524 20 0 GHADHM O=C(Nc1ccn(CC(F)F)n1)c1n[n-]c(-c2ccccc2)c1Br ZINC000482588192 564545600 /nfs/dbraw/zinc/54/56/00/564545600.db2.gz PLAQMYVBUJDOHV-UHFFFAOYSA-N -1 3 396.195 3.553 20 0 GHADHM O=C(Nc1ccn(CC(F)F)n1)c1[n-]nc(-c2ccccc2)c1Br ZINC000482588192 564545605 /nfs/dbraw/zinc/54/56/05/564545605.db2.gz PLAQMYVBUJDOHV-UHFFFAOYSA-N -1 3 396.195 3.553 20 0 GHADHM COc1nnc(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)[n-]1 ZINC000490684108 564780769 /nfs/dbraw/zinc/78/07/69/564780769.db2.gz LSGCNSOSGBNKLR-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM COc1nc(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n[n-]1 ZINC000490684108 564780770 /nfs/dbraw/zinc/78/07/70/564780770.db2.gz LSGCNSOSGBNKLR-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM COc1n[n-]c(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1 ZINC000490684108 564780772 /nfs/dbraw/zinc/78/07/72/564780772.db2.gz LSGCNSOSGBNKLR-UHFFFAOYSA-N -1 3 380.191 3.560 20 0 GHADHM CC(C)c1cnc(S[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1C(C)C ZINC000736191129 598824768 /nfs/dbraw/zinc/82/47/68/598824768.db2.gz IFKKAFHUILNFJU-ZDUSSCGKSA-N -1 3 399.524 3.887 20 0 GHADHM CC(C)c1cnc(S[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1C(C)C ZINC000736191129 598824770 /nfs/dbraw/zinc/82/47/70/598824770.db2.gz IFKKAFHUILNFJU-ZDUSSCGKSA-N -1 3 399.524 3.887 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)o1 ZINC000736687243 598835634 /nfs/dbraw/zinc/83/56/34/598835634.db2.gz RYBVAFCADKFGCT-KRWDZBQOSA-N -1 3 395.463 3.545 20 0 GHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)o1 ZINC000736687243 598835636 /nfs/dbraw/zinc/83/56/36/598835636.db2.gz RYBVAFCADKFGCT-KRWDZBQOSA-N -1 3 395.463 3.545 20 0 GHADHM Cc1ccccc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737415386 598835932 /nfs/dbraw/zinc/83/59/32/598835932.db2.gz QAPIANQGHNADGW-UHFFFAOYSA-N -1 3 375.457 3.834 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735851440 598840600 /nfs/dbraw/zinc/84/06/00/598840600.db2.gz VDBCCWXUCLYWQV-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735851440 598840601 /nfs/dbraw/zinc/84/06/01/598840601.db2.gz VDBCCWXUCLYWQV-UHFFFAOYSA-N -1 3 387.447 3.639 20 0 GHADHM CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735757750 598851910 /nfs/dbraw/zinc/85/19/10/598851910.db2.gz WVVPMKOHNGCSOA-UHFFFAOYSA-N -1 3 397.414 3.634 20 0 GHADHM CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735757750 598851911 /nfs/dbraw/zinc/85/19/11/598851911.db2.gz WVVPMKOHNGCSOA-UHFFFAOYSA-N -1 3 397.414 3.634 20 0 GHADHM C[C@@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155032 598855140 /nfs/dbraw/zinc/85/51/40/598855140.db2.gz FZESQOCODLKBKH-GFCCVEGCSA-N -1 3 393.378 3.508 20 0 GHADHM C[C@@H](OC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155032 598855141 /nfs/dbraw/zinc/85/51/41/598855141.db2.gz FZESQOCODLKBKH-GFCCVEGCSA-N -1 3 393.378 3.508 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737799122 598865964 /nfs/dbraw/zinc/86/59/64/598865964.db2.gz JJRSHFUISAIAND-JYRVWZFOSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Oc2ccccn2)cc1 ZINC000737799122 598865966 /nfs/dbraw/zinc/86/59/66/598865966.db2.gz JJRSHFUISAIAND-JYRVWZFOSA-N -1 3 384.399 3.706 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895426 598878242 /nfs/dbraw/zinc/87/82/42/598878242.db2.gz JFWKSNZKTLINFW-FOIQADDNSA-N -1 3 393.491 3.630 20 0 GHADHM COC(=O)[C@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895426 598878244 /nfs/dbraw/zinc/87/82/44/598878244.db2.gz JFWKSNZKTLINFW-FOIQADDNSA-N -1 3 393.491 3.630 20 0 GHADHM CC(C)(C)CCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735602403 598888282 /nfs/dbraw/zinc/88/82/82/598888282.db2.gz PDIVXMIJZDPRHH-UHFFFAOYSA-N -1 3 399.524 3.862 20 0 GHADHM CC(C)(C)CCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735602403 598888283 /nfs/dbraw/zinc/88/82/83/598888283.db2.gz PDIVXMIJZDPRHH-UHFFFAOYSA-N -1 3 399.524 3.862 20 0 GHADHM C[C@@H](NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CCCC1 ZINC000736120386 598890255 /nfs/dbraw/zinc/89/02/55/598890255.db2.gz ZCYSWHFEWQQHID-CYBMUJFWSA-N -1 3 396.520 3.973 20 0 GHADHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NC[C@H]1CC=CCC1 ZINC000738113189 598891298 /nfs/dbraw/zinc/89/12/98/598891298.db2.gz WGZZQTXELRZSGE-AWEZNQCLSA-N -1 3 394.504 3.751 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736405536 598908050 /nfs/dbraw/zinc/90/80/50/598908050.db2.gz GOIBTCARNIMUFQ-IBGZPJMESA-N -1 3 393.516 3.636 20 0 GHADHM CC[C@H]1c2ccccc2CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736405536 598908053 /nfs/dbraw/zinc/90/80/53/598908053.db2.gz GOIBTCARNIMUFQ-IBGZPJMESA-N -1 3 393.516 3.636 20 0 GHADHM CC(C)(C)C(=O)c1ccsc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735589534 598911985 /nfs/dbraw/zinc/91/19/85/598911985.db2.gz LZEWQWNMMRNDHX-HJWRWDBZSA-N -1 3 381.461 3.809 20 0 GHADHM CC(C)(C)C(=O)c1ccsc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735589534 598911988 /nfs/dbraw/zinc/91/19/88/598911988.db2.gz LZEWQWNMMRNDHX-HJWRWDBZSA-N -1 3 381.461 3.809 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737058391 598912596 /nfs/dbraw/zinc/91/25/96/598912596.db2.gz LBGSOXBQJSALBX-DLBZAZTESA-N -1 3 377.448 3.741 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000737058391 598912598 /nfs/dbraw/zinc/91/25/98/598912598.db2.gz LBGSOXBQJSALBX-DLBZAZTESA-N -1 3 377.448 3.741 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822237294 599292806 /nfs/dbraw/zinc/29/28/06/599292806.db2.gz NVFPDUFPHGNFNV-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822237294 599292807 /nfs/dbraw/zinc/29/28/07/599292807.db2.gz NVFPDUFPHGNFNV-UHFFFAOYSA-N -1 3 382.371 3.577 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(Br)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156837 598924200 /nfs/dbraw/zinc/92/42/00/598924200.db2.gz XUOSDLWFUCWPSY-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM C[C@@H](OC(=O)Cc1ccc(Br)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156837 598924202 /nfs/dbraw/zinc/92/42/02/598924202.db2.gz XUOSDLWFUCWPSY-SECBINFHSA-N -1 3 393.266 3.538 20 0 GHADHM O=C(NCCC1CCCC1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738056965 598927276 /nfs/dbraw/zinc/92/72/76/598927276.db2.gz XTBIKOYPORPDFH-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM O=C(NCCC1CCCC1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738056965 598927277 /nfs/dbraw/zinc/92/72/77/598927277.db2.gz XTBIKOYPORPDFH-UHFFFAOYSA-N -1 3 391.475 3.756 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000737557042 598936102 /nfs/dbraw/zinc/93/61/02/598936102.db2.gz BALREDZVCWSFLI-UHFFFAOYSA-N -1 3 398.883 3.869 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000737557042 598936104 /nfs/dbraw/zinc/93/61/04/598936104.db2.gz BALREDZVCWSFLI-UHFFFAOYSA-N -1 3 398.883 3.869 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccnc2ccccc21 ZINC000737031704 598939809 /nfs/dbraw/zinc/93/98/09/598939809.db2.gz DWIXYABVDCZMMW-UHFFFAOYSA-N -1 3 379.445 3.595 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccnc2ccccc21 ZINC000737031704 598939811 /nfs/dbraw/zinc/93/98/11/598939811.db2.gz DWIXYABVDCZMMW-UHFFFAOYSA-N -1 3 379.445 3.595 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCC[C@@H]1C1CCC1 ZINC000823303828 599292565 /nfs/dbraw/zinc/29/25/65/599292565.db2.gz WRBKUVXGVXJWCU-CQSZACIVSA-N -1 3 380.374 3.682 20 0 GHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736268761 598980176 /nfs/dbraw/zinc/98/01/76/598980176.db2.gz FIUZFSCIWGEHAM-FOIQADDNSA-N -1 3 391.475 3.754 20 0 GHADHM COc1cccc(-c2nc(CNc3cccc(-c4nnn[n-]4)c3C)cs2)c1 ZINC000821854671 607256394 /nfs/dbraw/zinc/25/63/94/607256394.db2.gz RGBXVDWRJVULQH-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM COc1cccc(-c2nc(CNc3cccc(-c4nn[n-]n4)c3C)cs2)c1 ZINC000821854671 607256395 /nfs/dbraw/zinc/25/63/95/607256395.db2.gz RGBXVDWRJVULQH-UHFFFAOYSA-N -1 3 378.461 3.919 20 0 GHADHM CCCCN(CC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736456815 598986059 /nfs/dbraw/zinc/98/60/59/598986059.db2.gz KXVSPYOBSBSGAI-UHFFFAOYSA-N -1 3 379.464 3.708 20 0 GHADHM CC(C)CCN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735803921 598988680 /nfs/dbraw/zinc/98/86/80/598988680.db2.gz LZUHRSDCXIAAAR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM CC(C)CCN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735803921 598988681 /nfs/dbraw/zinc/98/86/81/598988681.db2.gz LZUHRSDCXIAAAR-UHFFFAOYSA-N -1 3 379.464 3.564 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC000737225598 598994822 /nfs/dbraw/zinc/99/48/22/598994822.db2.gz FGPODUDMJIJKDE-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC000737225598 598994823 /nfs/dbraw/zinc/99/48/23/598994823.db2.gz FGPODUDMJIJKDE-UHFFFAOYSA-N -1 3 392.440 3.610 20 0 GHADHM C[C@@H]1CCCCCN1C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736268254 599007361 /nfs/dbraw/zinc/00/73/61/599007361.db2.gz RRGNLVOZRHIBBD-MRXNPFEDSA-N -1 3 391.475 3.850 20 0 GHADHM NC(=O)[C@@H](Sc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741672 599013474 /nfs/dbraw/zinc/01/34/74/599013474.db2.gz PITQPUURQWAYQC-IBGZPJMESA-N -1 3 387.468 3.852 20 0 GHADHM NC(=O)[C@@H](Sc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741672 599013476 /nfs/dbraw/zinc/01/34/76/599013476.db2.gz PITQPUURQWAYQC-IBGZPJMESA-N -1 3 387.468 3.852 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000736223192 599018034 /nfs/dbraw/zinc/01/80/34/599018034.db2.gz IHFOGTMHVWDKAS-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000736223192 599018036 /nfs/dbraw/zinc/01/80/36/599018036.db2.gz IHFOGTMHVWDKAS-HZPDHXFCSA-N -1 3 391.475 3.564 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000736635839 599020534 /nfs/dbraw/zinc/02/05/34/599020534.db2.gz HLRPOGMQFHHYPV-UHFFFAOYSA-N -1 3 398.854 3.730 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000736635839 599020535 /nfs/dbraw/zinc/02/05/35/599020535.db2.gz HLRPOGMQFHHYPV-UHFFFAOYSA-N -1 3 398.854 3.730 20 0 GHADHM O=C(Nc1sccc1-c1nnn[n-]1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738206946 599035929 /nfs/dbraw/zinc/03/59/29/599035929.db2.gz IDECKPVLNSLNNW-QWRGUYRKSA-N -1 3 395.366 3.569 20 0 GHADHM O=C(Nc1sccc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000738206946 599035932 /nfs/dbraw/zinc/03/59/32/599035932.db2.gz IDECKPVLNSLNNW-QWRGUYRKSA-N -1 3 395.366 3.569 20 0 GHADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)C[C@H](c2ccc(F)cc2)O1 ZINC000820769499 599038642 /nfs/dbraw/zinc/03/86/42/599038642.db2.gz USHPNKUNQJANOM-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)C[C@H](c2ccc(F)cc2)O1 ZINC000820769499 599038645 /nfs/dbraw/zinc/03/86/45/599038645.db2.gz USHPNKUNQJANOM-ORAYPTAESA-N -1 3 390.422 3.520 20 0 GHADHM FC(F)(F)c1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737635615 599039937 /nfs/dbraw/zinc/03/99/37/599039937.db2.gz JNJZGELUKYGXPH-UHFFFAOYSA-N -1 3 388.275 3.911 20 0 GHADHM FC(F)(F)c1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737635615 599039939 /nfs/dbraw/zinc/03/99/39/599039939.db2.gz JNJZGELUKYGXPH-UHFFFAOYSA-N -1 3 388.275 3.911 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCNc2cccc3ccccc32)n1 ZINC000737635646 599040043 /nfs/dbraw/zinc/04/00/43/599040043.db2.gz KTHWKKOPSCYAIT-UHFFFAOYSA-N -1 3 399.380 3.958 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCNc2cccc3ccccc32)n1 ZINC000737635646 599040045 /nfs/dbraw/zinc/04/00/45/599040045.db2.gz KTHWKKOPSCYAIT-UHFFFAOYSA-N -1 3 399.380 3.958 20 0 GHADHM Fc1ccc2c(CCNc3nc(C(F)(F)F)ccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000737668648 599052699 /nfs/dbraw/zinc/05/26/99/599052699.db2.gz WMWSCRZLQNUMIV-UHFFFAOYSA-N -1 3 391.332 3.556 20 0 GHADHM Fc1ccc2c(CCNc3nc(C(F)(F)F)ccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000737668648 599052701 /nfs/dbraw/zinc/05/27/01/599052701.db2.gz WMWSCRZLQNUMIV-UHFFFAOYSA-N -1 3 391.332 3.556 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1Cl ZINC000736192022 599062891 /nfs/dbraw/zinc/06/28/91/599062891.db2.gz JWZDAYZSCVFOBZ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1Cl ZINC000736192022 599062894 /nfs/dbraw/zinc/06/28/94/599062894.db2.gz JWZDAYZSCVFOBZ-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820280646 599063871 /nfs/dbraw/zinc/06/38/71/599063871.db2.gz LIJOZVAJOXKDKJ-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820280646 599063872 /nfs/dbraw/zinc/06/38/72/599063872.db2.gz LIJOZVAJOXKDKJ-SECBINFHSA-N -1 3 398.776 3.813 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000737321323 599064316 /nfs/dbraw/zinc/06/43/16/599064316.db2.gz SZWZXILWIBRNLV-CYBMUJFWSA-N -1 3 385.468 3.592 20 0 GHADHM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737321323 599064319 /nfs/dbraw/zinc/06/43/19/599064319.db2.gz SZWZXILWIBRNLV-CYBMUJFWSA-N -1 3 385.468 3.592 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1C(F)(F)F ZINC000737946310 599065785 /nfs/dbraw/zinc/06/57/85/599065785.db2.gz AFWBPAWWIDHNTC-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1C(F)(F)F ZINC000737946310 599065788 /nfs/dbraw/zinc/06/57/88/599065788.db2.gz AFWBPAWWIDHNTC-UHFFFAOYSA-N -1 3 397.357 3.755 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000735904568 599070424 /nfs/dbraw/zinc/07/04/24/599070424.db2.gz QMDNERYXVYXXMP-ZFWWWQNUSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000735904568 599070426 /nfs/dbraw/zinc/07/04/26/599070426.db2.gz QMDNERYXVYXXMP-ZFWWWQNUSA-N -1 3 399.401 3.674 20 0 GHADHM CCc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000736683265 599071724 /nfs/dbraw/zinc/07/17/24/599071724.db2.gz OVZCDXGFMNROCQ-UHFFFAOYSA-N -1 3 377.492 3.656 20 0 GHADHM CCc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000736683265 599071727 /nfs/dbraw/zinc/07/17/27/599071727.db2.gz OVZCDXGFMNROCQ-UHFFFAOYSA-N -1 3 377.492 3.656 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000821347475 599071995 /nfs/dbraw/zinc/07/19/95/599071995.db2.gz VODOOYVLOYCUAS-LBPRGKRZSA-N -1 3 395.492 3.605 20 0 GHADHM CCO[C@@H](C)c1nc(CN(C)c2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000821347475 599071998 /nfs/dbraw/zinc/07/19/98/599071998.db2.gz VODOOYVLOYCUAS-LBPRGKRZSA-N -1 3 395.492 3.605 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCCC1 ZINC000736121936 599079627 /nfs/dbraw/zinc/07/96/27/599079627.db2.gz GIRSIPWFDMCHLG-AWEZNQCLSA-N -1 3 392.463 3.753 20 0 GHADHM C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCCC1 ZINC000736121936 599079630 /nfs/dbraw/zinc/07/96/30/599079630.db2.gz GIRSIPWFDMCHLG-AWEZNQCLSA-N -1 3 392.463 3.753 20 0 GHADHM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2CCCCC2)c1-c1nnn[n-]1 ZINC000737189539 599102490 /nfs/dbraw/zinc/10/24/90/599102490.db2.gz NXCSILNHKOFVSC-LLVKDONJSA-N -1 3 386.525 3.560 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccccc1OCC(F)(F)F ZINC000821394870 599123600 /nfs/dbraw/zinc/12/36/00/599123600.db2.gz PABBDUZDULHLGI-UHFFFAOYSA-N -1 3 394.353 3.786 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1OCC(F)(F)F ZINC000821394870 599123601 /nfs/dbraw/zinc/12/36/01/599123601.db2.gz PABBDUZDULHLGI-UHFFFAOYSA-N -1 3 394.353 3.786 20 0 GHADHM CCCC[C@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)OC ZINC000821044027 599127320 /nfs/dbraw/zinc/12/73/20/599127320.db2.gz XFPSWLQTCZTZAT-INIZCTEOSA-N -1 3 383.477 3.753 20 0 GHADHM CCCC[C@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)OC ZINC000821044027 599127322 /nfs/dbraw/zinc/12/73/22/599127322.db2.gz XFPSWLQTCZTZAT-INIZCTEOSA-N -1 3 383.477 3.753 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821882749 599128281 /nfs/dbraw/zinc/12/82/81/599128281.db2.gz JQYHRAPIRXQQTF-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccccc1[C@@H](C)S[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821882749 599128285 /nfs/dbraw/zinc/12/82/85/599128285.db2.gz JQYHRAPIRXQQTF-CHWSQXEVSA-N -1 3 383.477 3.697 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000821407769 599144070 /nfs/dbraw/zinc/14/40/70/599144070.db2.gz WSGUOEMTTOCRHD-VQHVLOKHSA-N -1 3 398.492 3.671 20 0 GHADHM Cc1ccc([C@H](C)C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000822227460 599153257 /nfs/dbraw/zinc/15/32/57/599153257.db2.gz JSNVMWFNCCUEPO-ZDUSSCGKSA-N -1 3 393.472 3.917 20 0 GHADHM FC(F)(F)c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000737635893 599158441 /nfs/dbraw/zinc/15/84/41/599158441.db2.gz PCMHADUDRXTNAJ-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM FC(F)(F)c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000737635893 599158444 /nfs/dbraw/zinc/15/84/44/599158444.db2.gz PCMHADUDRXTNAJ-UHFFFAOYSA-N -1 3 388.309 3.515 20 0 GHADHM Cc1ccc(C)c(CSCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737323768 599166478 /nfs/dbraw/zinc/16/64/78/599166478.db2.gz WXQOECDUHITQQK-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM Cc1ccc(C)c(CSCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737323768 599166483 /nfs/dbraw/zinc/16/64/83/599166483.db2.gz WXQOECDUHITQQK-UHFFFAOYSA-N -1 3 378.461 3.967 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736351881 599166923 /nfs/dbraw/zinc/16/69/23/599166923.db2.gz IHKAMRCPOHUGBR-GKUQOKNUSA-N -1 3 381.867 3.671 20 0 GHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736351881 599166924 /nfs/dbraw/zinc/16/69/24/599166924.db2.gz IHKAMRCPOHUGBR-GKUQOKNUSA-N -1 3 381.867 3.671 20 0 GHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000736194182 599171385 /nfs/dbraw/zinc/17/13/85/599171385.db2.gz XFVUIXSMKLAUMF-NSHDSACASA-N -1 3 382.424 3.833 20 0 GHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1nc(Cc2ccccc2)no1 ZINC000736194182 599171386 /nfs/dbraw/zinc/17/13/86/599171386.db2.gz XFVUIXSMKLAUMF-NSHDSACASA-N -1 3 382.424 3.833 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736685932 599173301 /nfs/dbraw/zinc/17/33/01/599173301.db2.gz MWUQXDALOVKIMU-STQMWFEESA-N -1 3 399.495 3.926 20 0 GHADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736685932 599173302 /nfs/dbraw/zinc/17/33/02/599173302.db2.gz MWUQXDALOVKIMU-STQMWFEESA-N -1 3 399.495 3.926 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1c1ccco1 ZINC000735660714 599180507 /nfs/dbraw/zinc/18/05/07/599180507.db2.gz ODKWUZOQMULOLO-AWEZNQCLSA-N -1 3 383.456 3.775 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1c1ccco1 ZINC000735660714 599180509 /nfs/dbraw/zinc/18/05/09/599180509.db2.gz ODKWUZOQMULOLO-AWEZNQCLSA-N -1 3 383.456 3.775 20 0 GHADHM O=C([C@H]1CCSc2ccccc21)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737791819 599181422 /nfs/dbraw/zinc/18/14/22/599181422.db2.gz KTURZGYCLACIDK-SFHVURJKSA-N -1 3 391.500 3.637 20 0 GHADHM O=C([C@H]1CCSc2ccccc21)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737791819 599181423 /nfs/dbraw/zinc/18/14/23/599181423.db2.gz KTURZGYCLACIDK-SFHVURJKSA-N -1 3 391.500 3.637 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000735513312 599181910 /nfs/dbraw/zinc/18/19/10/599181910.db2.gz KRBMCMDHDVDXPO-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000735513312 599181911 /nfs/dbraw/zinc/18/19/11/599181911.db2.gz KRBMCMDHDVDXPO-GFCCVEGCSA-N -1 3 389.381 3.648 20 0 GHADHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735515095 599183887 /nfs/dbraw/zinc/18/38/87/599183887.db2.gz ZHTAWKAAPCVFFK-NSHDSACASA-N -1 3 375.354 3.652 20 0 GHADHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735515095 599183889 /nfs/dbraw/zinc/18/38/89/599183889.db2.gz ZHTAWKAAPCVFFK-NSHDSACASA-N -1 3 375.354 3.652 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819958802 599182326 /nfs/dbraw/zinc/18/23/26/599182326.db2.gz QKALLOLKMUIGSZ-WDZFZDKYSA-N -1 3 379.439 3.633 20 0 GHADHM CC(C)(C)c1ccc(C=CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819958802 599182329 /nfs/dbraw/zinc/18/23/29/599182329.db2.gz QKALLOLKMUIGSZ-WDZFZDKYSA-N -1 3 379.439 3.633 20 0 GHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000736814537 599183239 /nfs/dbraw/zinc/18/32/39/599183239.db2.gz QGEQSGIWBUNCMB-UHFFFAOYSA-N -1 3 385.471 3.956 20 0 GHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000736814537 599183242 /nfs/dbraw/zinc/18/32/42/599183242.db2.gz QGEQSGIWBUNCMB-UHFFFAOYSA-N -1 3 385.471 3.956 20 0 GHADHM CN(CCc1cccs1)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821607546 599199544 /nfs/dbraw/zinc/19/95/44/599199544.db2.gz TVQYGEFXCCAJEU-UHFFFAOYSA-N -1 3 389.484 3.910 20 0 GHADHM CN(CCc1cccs1)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821607546 599199546 /nfs/dbraw/zinc/19/95/46/599199546.db2.gz TVQYGEFXCCAJEU-UHFFFAOYSA-N -1 3 389.484 3.910 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)COc2ccccc2-c2nnn[n-]2)c1C ZINC000822299456 599202652 /nfs/dbraw/zinc/20/26/52/599202652.db2.gz JKBWADVFIDSFSS-IBGZPJMESA-N -1 3 391.475 3.616 20 0 GHADHM Cc1cccc([C@@H]2CCCCN2C(=O)COc2ccccc2-c2nn[n-]n2)c1C ZINC000822299456 599202654 /nfs/dbraw/zinc/20/26/54/599202654.db2.gz JKBWADVFIDSFSS-IBGZPJMESA-N -1 3 391.475 3.616 20 0 GHADHM CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821160651 599211991 /nfs/dbraw/zinc/21/19/91/599211991.db2.gz OGCUTYSFPXFWIE-MRXNPFEDSA-N -1 3 387.484 3.797 20 0 GHADHM CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821160651 599211993 /nfs/dbraw/zinc/21/19/93/599211993.db2.gz OGCUTYSFPXFWIE-MRXNPFEDSA-N -1 3 387.484 3.797 20 0 GHADHM COCCCCCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000736978189 599214842 /nfs/dbraw/zinc/21/48/42/599214842.db2.gz HNPHIYKBGDJSCS-UHFFFAOYSA-N -1 3 398.488 3.991 20 0 GHADHM COCCCCCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000736978189 599214843 /nfs/dbraw/zinc/21/48/43/599214843.db2.gz HNPHIYKBGDJSCS-UHFFFAOYSA-N -1 3 398.488 3.991 20 0 GHADHM CCCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821071951 599218586 /nfs/dbraw/zinc/21/85/86/599218586.db2.gz OLRFNEIPKAXFFB-UHFFFAOYSA-N -1 3 385.399 3.553 20 0 GHADHM CCCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821071951 599218588 /nfs/dbraw/zinc/21/85/88/599218588.db2.gz OLRFNEIPKAXFFB-UHFFFAOYSA-N -1 3 385.399 3.553 20 0 GHADHM Clc1cccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000822585637 599219157 /nfs/dbraw/zinc/21/91/57/599219157.db2.gz IHNODNRPCLZREL-AWEZNQCLSA-N -1 3 383.839 3.633 20 0 GHADHM Clc1cccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000822585637 599219160 /nfs/dbraw/zinc/21/91/60/599219160.db2.gz IHNODNRPCLZREL-AWEZNQCLSA-N -1 3 383.839 3.633 20 0 GHADHM COCCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821686976 599220468 /nfs/dbraw/zinc/22/04/68/599220468.db2.gz IHADQNNAKDJQKF-UHFFFAOYSA-N -1 3 385.399 3.553 20 0 GHADHM COCCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821686976 599220470 /nfs/dbraw/zinc/22/04/70/599220470.db2.gz IHADQNNAKDJQKF-UHFFFAOYSA-N -1 3 385.399 3.553 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)o1 ZINC000822227610 599221816 /nfs/dbraw/zinc/22/18/16/599221816.db2.gz PDMRNVIYPPJXLY-UHFFFAOYSA-N -1 3 379.351 3.952 20 0 GHADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)o1 ZINC000822227610 599221818 /nfs/dbraw/zinc/22/18/18/599221818.db2.gz PDMRNVIYPPJXLY-UHFFFAOYSA-N -1 3 379.351 3.952 20 0 GHADHM C[C@@H](SCC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549313 599222478 /nfs/dbraw/zinc/22/24/78/599222478.db2.gz MBGVWEHHJZLJCU-OAHLLOKOSA-N -1 3 393.516 3.857 20 0 GHADHM C[C@@H](SCC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549313 599222480 /nfs/dbraw/zinc/22/24/80/599222480.db2.gz MBGVWEHHJZLJCU-OAHLLOKOSA-N -1 3 393.516 3.857 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821446838 599231072 /nfs/dbraw/zinc/23/10/72/599231072.db2.gz DKTMKZMPLORUDF-NWDGAFQWSA-N -1 3 396.973 3.823 20 0 GHADHM CCS[C@@H]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821446838 599231075 /nfs/dbraw/zinc/23/10/75/599231075.db2.gz DKTMKZMPLORUDF-NWDGAFQWSA-N -1 3 396.973 3.823 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3ccc(Cl)cc3-c3nnn[n-]3)C2)c1 ZINC000737138489 599231422 /nfs/dbraw/zinc/23/14/22/599231422.db2.gz IMRKQQOFMQQVFC-CQSZACIVSA-N -1 3 384.871 3.610 20 0 GHADHM COc1cccc(N2CCC[C@@H](Nc3ccc(Cl)cc3-c3nn[n-]n3)C2)c1 ZINC000737138489 599231424 /nfs/dbraw/zinc/23/14/24/599231424.db2.gz IMRKQQOFMQQVFC-CQSZACIVSA-N -1 3 384.871 3.610 20 0 GHADHM S=C(Nc1cccc(Oc2ccccn2)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000823731665 599231835 /nfs/dbraw/zinc/23/18/35/599231835.db2.gz BDJDJRSOLFSXPU-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM S=C(Nc1cccc(Oc2ccccn2)c1)Nc1ccccc1-c1nn[n-]n1 ZINC000823731665 599231836 /nfs/dbraw/zinc/23/18/36/599231836.db2.gz BDJDJRSOLFSXPU-UHFFFAOYSA-N -1 3 389.444 3.863 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820107733 607262614 /nfs/dbraw/zinc/26/26/14/607262614.db2.gz AYQHOCDNCSQONJ-GFCCVEGCSA-N -1 3 384.871 3.605 20 0 GHADHM CC(C)Cc1ccc([C@@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820107733 607262615 /nfs/dbraw/zinc/26/26/15/607262615.db2.gz AYQHOCDNCSQONJ-GFCCVEGCSA-N -1 3 384.871 3.605 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403957 599237313 /nfs/dbraw/zinc/23/73/13/599237313.db2.gz NSNLUUQRSBHGRH-SNVBAGLBSA-N -1 3 390.419 3.516 20 0 GHADHM C[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403957 599237316 /nfs/dbraw/zinc/23/73/16/599237316.db2.gz NSNLUUQRSBHGRH-SNVBAGLBSA-N -1 3 390.419 3.516 20 0 GHADHM Cc1c(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cccc1-c1nnn[n-]1 ZINC000822108950 607270925 /nfs/dbraw/zinc/27/09/25/607270925.db2.gz NFRRXQMJBMATBH-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM Cc1c(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cccc1-c1nn[n-]n1 ZINC000822108950 607270926 /nfs/dbraw/zinc/27/09/26/607270926.db2.gz NFRRXQMJBMATBH-UHFFFAOYSA-N -1 3 396.426 3.551 20 0 GHADHM S=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N[C@H]1CSc2ccccc21 ZINC000738410486 599246902 /nfs/dbraw/zinc/24/69/02/599246902.db2.gz ZFQPQZGABPMQOJ-ZDUSSCGKSA-N -1 3 388.909 3.654 20 0 GHADHM S=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N[C@H]1CSc2ccccc21 ZINC000738410486 599246904 /nfs/dbraw/zinc/24/69/04/599246904.db2.gz ZFQPQZGABPMQOJ-ZDUSSCGKSA-N -1 3 388.909 3.654 20 0 GHADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501502 599248292 /nfs/dbraw/zinc/24/82/92/599248292.db2.gz CTYLMDJWDFBCFV-MAUKXSAKSA-N -1 3 391.475 3.733 20 0 GHADHM CCN(C(=O)C[C@H]1CCOc2ccccc21)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501502 599248294 /nfs/dbraw/zinc/24/82/94/599248294.db2.gz CTYLMDJWDFBCFV-MAUKXSAKSA-N -1 3 391.475 3.733 20 0 GHADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821872440 599250329 /nfs/dbraw/zinc/25/03/29/599250329.db2.gz MUDGAXGZHBSBPG-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821872440 599250330 /nfs/dbraw/zinc/25/03/30/599250330.db2.gz MUDGAXGZHBSBPG-SECBINFHSA-N -1 3 390.806 3.551 20 0 GHADHM Cc1c(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822075775 607282182 /nfs/dbraw/zinc/28/21/82/607282182.db2.gz IPLCJMQTZUQAGY-GFCCVEGCSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1c(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822075775 607282183 /nfs/dbraw/zinc/28/21/83/607282183.db2.gz IPLCJMQTZUQAGY-GFCCVEGCSA-N -1 3 384.871 3.923 20 0 GHADHM Cc1c(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000822084996 607287157 /nfs/dbraw/zinc/28/71/57/607287157.db2.gz VFYNNHFSFLICMK-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM Cc1c(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822084996 607287158 /nfs/dbraw/zinc/28/71/58/607287158.db2.gz VFYNNHFSFLICMK-UHFFFAOYSA-N -1 3 378.411 3.635 20 0 GHADHM COc1ccc2cc(CNC(=O)Nc3cccc(-c4nnn[n-]4)c3C)ccc2c1 ZINC000821854193 607287287 /nfs/dbraw/zinc/28/72/87/607287287.db2.gz HYOIUVHYIZFNDW-UHFFFAOYSA-N -1 3 388.431 3.659 20 0 GHADHM COc1ccc2cc(CNC(=O)Nc3cccc(-c4nn[n-]n4)c3C)ccc2c1 ZINC000821854193 607287288 /nfs/dbraw/zinc/28/72/88/607287288.db2.gz HYOIUVHYIZFNDW-UHFFFAOYSA-N -1 3 388.431 3.659 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391136 599262052 /nfs/dbraw/zinc/26/20/52/599262052.db2.gz YUBYPVWIWGRSHF-HXUWFJFHSA-N -1 3 375.476 3.862 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391136 599262055 /nfs/dbraw/zinc/26/20/55/599262055.db2.gz YUBYPVWIWGRSHF-HXUWFJFHSA-N -1 3 375.476 3.862 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380269 599259469 /nfs/dbraw/zinc/25/94/69/599259469.db2.gz OUBKRLUDXOXYAR-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380269 599259471 /nfs/dbraw/zinc/25/94/71/599259471.db2.gz OUBKRLUDXOXYAR-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380784 599259525 /nfs/dbraw/zinc/25/95/25/599259525.db2.gz ZXAIYMCTNRNPJN-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM C[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380784 599259528 /nfs/dbraw/zinc/25/95/28/599259528.db2.gz ZXAIYMCTNRNPJN-NSHDSACASA-N -1 3 390.369 3.854 20 0 GHADHM CC(C)c1cccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000820198469 607297937 /nfs/dbraw/zinc/29/79/37/607297937.db2.gz XCQZKBFMTJYCAE-UHFFFAOYSA-N -1 3 392.463 3.738 20 0 GHADHM CC(C)c1cccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000820198469 607297938 /nfs/dbraw/zinc/29/79/38/607297938.db2.gz XCQZKBFMTJYCAE-UHFFFAOYSA-N -1 3 392.463 3.738 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000820152235 599263970 /nfs/dbraw/zinc/26/39/70/599263970.db2.gz VBFWVOSYLDSIIQ-NQIIRXRSSA-N -1 3 392.463 3.506 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000820152235 599263972 /nfs/dbraw/zinc/26/39/72/599263972.db2.gz VBFWVOSYLDSIIQ-NQIIRXRSSA-N -1 3 392.463 3.506 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCC[C@@H]1C1CCC1 ZINC000823303828 599292567 /nfs/dbraw/zinc/29/25/67/599292567.db2.gz WRBKUVXGVXJWCU-CQSZACIVSA-N -1 3 380.374 3.682 20 0 GHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821407233 599267272 /nfs/dbraw/zinc/26/72/72/599267272.db2.gz PCUDMHHILFJFCN-QGZVFWFLSA-N -1 3 392.463 3.928 20 0 GHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000821407233 599267273 /nfs/dbraw/zinc/26/72/73/599267273.db2.gz PCUDMHHILFJFCN-QGZVFWFLSA-N -1 3 392.463 3.928 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000822217349 599269025 /nfs/dbraw/zinc/26/90/25/599269025.db2.gz BVTQLMFAHZHOIL-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000822217349 599269029 /nfs/dbraw/zinc/26/90/29/599269029.db2.gz BVTQLMFAHZHOIL-KZULUSFZSA-N -1 3 380.427 3.929 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684366 599275991 /nfs/dbraw/zinc/27/59/91/599275991.db2.gz GUQHNFSKGFHBGN-SUMWQHHRSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684366 599275993 /nfs/dbraw/zinc/27/59/93/599275993.db2.gz GUQHNFSKGFHBGN-SUMWQHHRSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736684354 599275999 /nfs/dbraw/zinc/27/59/99/599275999.db2.gz GUQHNFSKGFHBGN-DYVFJYSZSA-N -1 3 380.452 3.630 20 0 GHADHM CCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736684354 599276003 /nfs/dbraw/zinc/27/60/03/599276003.db2.gz GUQHNFSKGFHBGN-DYVFJYSZSA-N -1 3 380.452 3.630 20 0 GHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000736487834 599278821 /nfs/dbraw/zinc/27/88/21/599278821.db2.gz LJUVQWGFNVULNG-STQMWFEESA-N -1 3 396.417 3.996 20 0 GHADHM COc1ccc(CNc2cc(-c3nc(C)co3)ccc2C)cc1-c1nnn[n-]1 ZINC000821821826 607318425 /nfs/dbraw/zinc/31/84/25/607318425.db2.gz YYSYCDYKROOCHP-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM COc1ccc(CNc2cc(-c3nc(C)co3)ccc2C)cc1-c1nn[n-]n1 ZINC000821821826 607318426 /nfs/dbraw/zinc/31/84/26/607318426.db2.gz YYSYCDYKROOCHP-UHFFFAOYSA-N -1 3 376.420 3.759 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380408 599281212 /nfs/dbraw/zinc/28/12/12/599281212.db2.gz SDVSZLZRZYOYLJ-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380408 599281215 /nfs/dbraw/zinc/28/12/15/599281215.db2.gz SDVSZLZRZYOYLJ-CYBMUJFWSA-N -1 3 378.436 3.538 20 0 GHADHM C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193523 599287370 /nfs/dbraw/zinc/28/73/70/599287370.db2.gz SICGIHYXDGTQPC-LBPRGKRZSA-N -1 3 390.472 3.765 20 0 GHADHM C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193523 599287371 /nfs/dbraw/zinc/28/73/71/599287371.db2.gz SICGIHYXDGTQPC-LBPRGKRZSA-N -1 3 390.472 3.765 20 0 GHADHM C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191866 599289223 /nfs/dbraw/zinc/28/92/23/599289223.db2.gz JGWGXALJSOGRKE-LLVKDONJSA-N -1 3 382.424 3.833 20 0 GHADHM C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191866 599289225 /nfs/dbraw/zinc/28/92/25/599289225.db2.gz JGWGXALJSOGRKE-LLVKDONJSA-N -1 3 382.424 3.833 20 0 GHADHM COc1ccccc1Cc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737152198 599289937 /nfs/dbraw/zinc/28/99/37/599289937.db2.gz JTCIPCCRMKQKKP-LBPRGKRZSA-N -1 3 394.460 3.702 20 0 GHADHM COc1ccccc1Cc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737152198 599289941 /nfs/dbraw/zinc/28/99/41/599289941.db2.gz JTCIPCCRMKQKKP-LBPRGKRZSA-N -1 3 394.460 3.702 20 0 GHADHM Cc1c(NC(=O)c2cccnc2Sc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822116028 607322097 /nfs/dbraw/zinc/32/20/97/607322097.db2.gz KVZSBDWTAJTIJS-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM Cc1c(NC(=O)c2cccnc2Sc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822116028 607322098 /nfs/dbraw/zinc/32/20/98/607322098.db2.gz KVZSBDWTAJTIJS-UHFFFAOYSA-N -1 3 388.456 3.974 20 0 GHADHM COC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821641979 607346138 /nfs/dbraw/zinc/34/61/38/607346138.db2.gz BNBCPVUARKLIQS-ROUUACIJSA-N -1 3 399.882 3.721 20 0 GHADHM COC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821641979 607346140 /nfs/dbraw/zinc/34/61/40/607346140.db2.gz BNBCPVUARKLIQS-ROUUACIJSA-N -1 3 399.882 3.721 20 0 GHADHM O=C(C=Cc1cccnc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737799990 598232604 /nfs/dbraw/zinc/23/26/04/598232604.db2.gz JSOVBJSUQIBNAL-WDZFZDKYSA-N -1 3 384.399 3.706 20 0 GHADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000737919032 598235514 /nfs/dbraw/zinc/23/55/14/598235514.db2.gz IQASZWIIUWWSSF-LJQANCHMSA-N -1 3 397.866 3.557 20 0 GHADHM Fc1cccc(Cl)c1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737659953 598251070 /nfs/dbraw/zinc/25/10/70/598251070.db2.gz GOEVGWXDWUGNOZ-UHFFFAOYSA-N -1 3 387.846 3.703 20 0 GHADHM Fc1cccc(Cl)c1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737659953 598251071 /nfs/dbraw/zinc/25/10/71/598251071.db2.gz GOEVGWXDWUGNOZ-UHFFFAOYSA-N -1 3 387.846 3.703 20 0 GHADHM C[C@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000736019246 598266660 /nfs/dbraw/zinc/26/66/60/598266660.db2.gz ZPMHUZAUVCHAPT-CYBMUJFWSA-N -1 3 378.436 3.827 20 0 GHADHM C[C@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000736019246 598266662 /nfs/dbraw/zinc/26/66/62/598266662.db2.gz ZPMHUZAUVCHAPT-CYBMUJFWSA-N -1 3 378.436 3.827 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000735661855 598274817 /nfs/dbraw/zinc/27/48/17/598274817.db2.gz XIKDLNULRKYCKU-MRXNPFEDSA-N -1 3 379.468 3.622 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000735661855 598274819 /nfs/dbraw/zinc/27/48/19/598274819.db2.gz XIKDLNULRKYCKU-MRXNPFEDSA-N -1 3 379.468 3.622 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000737319610 598278587 /nfs/dbraw/zinc/27/85/87/598278587.db2.gz FSYCAZKORBEWNY-CQSZACIVSA-N -1 3 381.484 3.957 20 0 GHADHM Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000737319610 598278588 /nfs/dbraw/zinc/27/85/88/598278588.db2.gz FSYCAZKORBEWNY-CQSZACIVSA-N -1 3 381.484 3.957 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2F)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740849 598278654 /nfs/dbraw/zinc/27/86/54/598278654.db2.gz HJFKZWGCOASXBA-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CN(C(=O)c1cnc(-c2ccccc2F)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740849 598278655 /nfs/dbraw/zinc/27/86/55/598278655.db2.gz HJFKZWGCOASXBA-UHFFFAOYSA-N -1 3 398.398 3.545 20 0 GHADHM CCOc1cccc([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000736655367 598280865 /nfs/dbraw/zinc/28/08/65/598280865.db2.gz QLMJXVMEALQCOK-ZDUSSCGKSA-N -1 3 397.483 3.705 20 0 GHADHM CCOc1cccc([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000736655367 598280866 /nfs/dbraw/zinc/28/08/66/598280866.db2.gz QLMJXVMEALQCOK-ZDUSSCGKSA-N -1 3 397.483 3.705 20 0 GHADHM CC(C(=O)OCc1cccc(-c2nnn[n-]2)c1)(c1ccccc1)c1ccccc1 ZINC000735572102 598288617 /nfs/dbraw/zinc/28/86/17/598288617.db2.gz RIWXAYQFFQNFIC-UHFFFAOYSA-N -1 3 384.439 3.916 20 0 GHADHM CC(C(=O)OCc1cccc(-c2nn[n-]n2)c1)(c1ccccc1)c1ccccc1 ZINC000735572102 598288619 /nfs/dbraw/zinc/28/86/19/598288619.db2.gz RIWXAYQFFQNFIC-UHFFFAOYSA-N -1 3 384.439 3.916 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737287109 598301156 /nfs/dbraw/zinc/30/11/56/598301156.db2.gz DJRVJHSHGKWGCG-HNNXBMFYSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(-c2ccncc2)cc1N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737287109 598301157 /nfs/dbraw/zinc/30/11/57/598301157.db2.gz DJRVJHSHGKWGCG-HNNXBMFYSA-N -1 3 399.458 3.676 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737289212 598303341 /nfs/dbraw/zinc/30/33/41/598303341.db2.gz UFRYCWPEMSOXES-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM Cc1ccc(-c2ccsc2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737289212 598303343 /nfs/dbraw/zinc/30/33/43/598303343.db2.gz UFRYCWPEMSOXES-UHFFFAOYSA-N -1 3 393.447 3.973 20 0 GHADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000738098792 598319960 /nfs/dbraw/zinc/31/99/60/598319960.db2.gz CZSGTGDVVWPYPB-IEBWSBKVSA-N -1 3 394.454 3.531 20 0 GHADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000738098792 598319963 /nfs/dbraw/zinc/31/99/63/598319963.db2.gz CZSGTGDVVWPYPB-IEBWSBKVSA-N -1 3 394.454 3.531 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1csc(C(C)(C)C)n1 ZINC000737025778 598325570 /nfs/dbraw/zinc/32/55/70/598325570.db2.gz MWYUNLGYQCKGDQ-UHFFFAOYSA-N -1 3 393.856 3.502 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1csc(C(C)(C)C)n1 ZINC000737025778 598325571 /nfs/dbraw/zinc/32/55/71/598325571.db2.gz MWYUNLGYQCKGDQ-UHFFFAOYSA-N -1 3 393.856 3.502 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737269294 598325640 /nfs/dbraw/zinc/32/56/40/598325640.db2.gz BYHKYYVUULYOAQ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM Cc1cc(F)ccc1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737269294 598325642 /nfs/dbraw/zinc/32/56/42/598325642.db2.gz BYHKYYVUULYOAQ-UHFFFAOYSA-N -1 3 393.378 3.739 20 0 GHADHM O=C(c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)N1Cc2ccccc2C1 ZINC000738269575 598360116 /nfs/dbraw/zinc/36/01/16/598360116.db2.gz VTUOCOUORUJDAV-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM O=C(c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)N1Cc2ccccc2C1 ZINC000738269575 598360118 /nfs/dbraw/zinc/36/01/18/598360118.db2.gz VTUOCOUORUJDAV-UHFFFAOYSA-N -1 3 397.438 3.602 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737147143 598361122 /nfs/dbraw/zinc/36/11/22/598361122.db2.gz KMNHGEMMLRRSKK-LJQANCHMSA-N -1 3 391.475 3.562 20 0 GHADHM COc1ccccc1[C@H]1CCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737147143 598361123 /nfs/dbraw/zinc/36/11/23/598361123.db2.gz KMNHGEMMLRRSKK-LJQANCHMSA-N -1 3 391.475 3.562 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)c1ccccc1F ZINC000735973745 598364803 /nfs/dbraw/zinc/36/48/03/598364803.db2.gz GWIDGIZZNXUAGX-OAHLLOKOSA-N -1 3 381.455 3.937 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)c1ccccc1F ZINC000735973745 598364806 /nfs/dbraw/zinc/36/48/06/598364806.db2.gz GWIDGIZZNXUAGX-OAHLLOKOSA-N -1 3 381.455 3.937 20 0 GHADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1(c2ccccc2Cl)CCOCC1 ZINC000737641961 598365121 /nfs/dbraw/zinc/36/51/21/598365121.db2.gz ZUPXDXWBHSPGJA-UHFFFAOYSA-N -1 3 387.846 3.820 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736457035 598366340 /nfs/dbraw/zinc/36/63/40/598366340.db2.gz KHKZATQPCTUDOD-UHFFFAOYSA-N -1 3 383.883 3.892 20 0 GHADHM CCCCN(Cc1ccccc1Cl)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736457035 598366342 /nfs/dbraw/zinc/36/63/42/598366342.db2.gz KHKZATQPCTUDOD-UHFFFAOYSA-N -1 3 383.883 3.892 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735649831 598375023 /nfs/dbraw/zinc/37/50/23/598375023.db2.gz LDOJMRNODIEACP-GOSISDBHSA-N -1 3 379.464 3.617 20 0 GHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735649831 598375025 /nfs/dbraw/zinc/37/50/25/598375025.db2.gz LDOJMRNODIEACP-GOSISDBHSA-N -1 3 379.464 3.617 20 0 GHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000737561584 598387000 /nfs/dbraw/zinc/38/70/00/598387000.db2.gz GBDPOMPOIPYBSG-UHFFFAOYSA-N -1 3 397.895 3.909 20 0 GHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000737561584 598387002 /nfs/dbraw/zinc/38/70/02/598387002.db2.gz GBDPOMPOIPYBSG-UHFFFAOYSA-N -1 3 397.895 3.909 20 0 GHADHM Cc1ccccc1C1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000737424139 598394333 /nfs/dbraw/zinc/39/43/33/598394333.db2.gz RWHQFFALFGJWHP-UHFFFAOYSA-N -1 3 378.505 3.752 20 0 GHADHM Cc1ccccc1C1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000737424139 598394335 /nfs/dbraw/zinc/39/43/35/598394335.db2.gz RWHQFFALFGJWHP-UHFFFAOYSA-N -1 3 378.505 3.752 20 0 GHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736189786 598413958 /nfs/dbraw/zinc/41/39/58/598413958.db2.gz CLPPUFIWHWHVAX-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736189786 598413959 /nfs/dbraw/zinc/41/39/59/598413959.db2.gz CLPPUFIWHWHVAX-SECBINFHSA-N -1 3 377.832 3.779 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737420963 598414153 /nfs/dbraw/zinc/41/41/53/598414153.db2.gz IASBFTDQKWIXQK-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737420963 598414155 /nfs/dbraw/zinc/41/41/55/598414155.db2.gz IASBFTDQKWIXQK-UHFFFAOYSA-N -1 3 380.427 3.726 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000737023089 598415553 /nfs/dbraw/zinc/41/55/53/598415553.db2.gz ADFZPGVQDNSDTM-QGZVFWFLSA-N -1 3 384.461 3.598 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000737023089 598415554 /nfs/dbraw/zinc/41/55/54/598415554.db2.gz ADFZPGVQDNSDTM-QGZVFWFLSA-N -1 3 384.461 3.598 20 0 GHADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000737056248 598418344 /nfs/dbraw/zinc/41/83/44/598418344.db2.gz ASQPIIWKEIXPBI-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000737056248 598418346 /nfs/dbraw/zinc/41/83/46/598418346.db2.gz ASQPIIWKEIXPBI-QGZVFWFLSA-N -1 3 383.477 3.631 20 0 GHADHM Cc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000737343670 598418662 /nfs/dbraw/zinc/41/86/62/598418662.db2.gz SCNJFZJJIVHTLL-UHFFFAOYSA-N -1 3 390.378 3.754 20 0 GHADHM O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738216054 598419057 /nfs/dbraw/zinc/41/90/57/598419057.db2.gz VWPZTHHCLOWDCS-GOSISDBHSA-N -1 3 391.818 3.862 20 0 GHADHM O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738216054 598419059 /nfs/dbraw/zinc/41/90/59/598419059.db2.gz VWPZTHHCLOWDCS-GOSISDBHSA-N -1 3 391.818 3.862 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736733819 598420646 /nfs/dbraw/zinc/42/06/46/598420646.db2.gz ZNBYEWXCNFFABB-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736733819 598420648 /nfs/dbraw/zinc/42/06/48/598420648.db2.gz ZNBYEWXCNFFABB-CABCVRRESA-N -1 3 388.258 3.940 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736056516 598420751 /nfs/dbraw/zinc/42/07/51/598420751.db2.gz OFTIHEDRNYTGTG-NSHDSACASA-N -1 3 390.274 3.669 20 0 GHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736056516 598420753 /nfs/dbraw/zinc/42/07/53/598420753.db2.gz OFTIHEDRNYTGTG-NSHDSACASA-N -1 3 390.274 3.669 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCSc1ccccc1 ZINC000735874505 598427422 /nfs/dbraw/zinc/42/74/22/598427422.db2.gz PZDRUCSMEUDRQC-UHFFFAOYSA-N -1 3 396.520 3.579 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCSc1ccccc1 ZINC000735874505 598427424 /nfs/dbraw/zinc/42/74/24/598427424.db2.gz PZDRUCSMEUDRQC-UHFFFAOYSA-N -1 3 396.520 3.579 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736452732 598432654 /nfs/dbraw/zinc/43/26/54/598432654.db2.gz INCNZZCWJJZOJK-UHFFFAOYSA-N -1 3 397.458 3.564 20 0 GHADHM CCCCN(C)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736452732 598432656 /nfs/dbraw/zinc/43/26/56/598432656.db2.gz INCNZZCWJJZOJK-UHFFFAOYSA-N -1 3 397.458 3.564 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000738144447 598446485 /nfs/dbraw/zinc/44/64/85/598446485.db2.gz CIWSHEFCKZVPBT-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cc(Br)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000738144447 598446486 /nfs/dbraw/zinc/44/64/86/598446486.db2.gz CIWSHEFCKZVPBT-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735839611 598465015 /nfs/dbraw/zinc/46/50/15/598465015.db2.gz ZSZVYSYFRVACKS-UHFFFAOYSA-N -1 3 381.505 3.686 20 0 GHADHM CC(C)CNC(=O)c1cccc(CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735839611 598465017 /nfs/dbraw/zinc/46/50/17/598465017.db2.gz ZSZVYSYFRVACKS-UHFFFAOYSA-N -1 3 381.505 3.686 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738179325 598468703 /nfs/dbraw/zinc/46/87/03/598468703.db2.gz QUEWREQXCXCQMH-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738179325 598468705 /nfs/dbraw/zinc/46/87/05/598468705.db2.gz QUEWREQXCXCQMH-UHFFFAOYSA-N -1 3 388.353 3.696 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737088732 598473236 /nfs/dbraw/zinc/47/32/36/598473236.db2.gz OJFHRLFWRVSPJM-UHFFFAOYSA-N -1 3 398.438 3.861 20 0 GHADHM COc1ccc(CCCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737088732 598473238 /nfs/dbraw/zinc/47/32/38/598473238.db2.gz OJFHRLFWRVSPJM-UHFFFAOYSA-N -1 3 398.438 3.861 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccccc2-c2nnn[n-]2)cs1 ZINC000737418217 598473462 /nfs/dbraw/zinc/47/34/62/598473462.db2.gz NVSUAZRMJVQBBK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1ccccc1-c1nc(C(=O)OCc2ccccc2-c2nn[n-]n2)cs1 ZINC000737418217 598473464 /nfs/dbraw/zinc/47/34/64/598473464.db2.gz NVSUAZRMJVQBBK-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM O=C(OCc1ccccc1-c1nnn[n-]1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738234741 598473695 /nfs/dbraw/zinc/47/36/95/598473695.db2.gz LPSFBZMPQUNBJG-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM O=C(OCc1ccccc1-c1nn[n-]n1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000738234741 598473698 /nfs/dbraw/zinc/47/36/98/598473698.db2.gz LPSFBZMPQUNBJG-UHFFFAOYSA-N -1 3 388.349 3.661 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)C1CCCCC1 ZINC000736363404 598479442 /nfs/dbraw/zinc/47/94/42/598479442.db2.gz NQNXTVYSRDJHSL-IBGZPJMESA-N -1 3 382.512 3.900 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)C1CCCCC1 ZINC000736363404 598479443 /nfs/dbraw/zinc/47/94/43/598479443.db2.gz NQNXTVYSRDJHSL-IBGZPJMESA-N -1 3 382.512 3.900 20 0 GHADHM CC(C)COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735837564 598488377 /nfs/dbraw/zinc/48/83/77/598488377.db2.gz JRBKXTYHYGNHQT-UHFFFAOYSA-N -1 3 382.468 3.710 20 0 GHADHM CC(C)COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735837564 598488378 /nfs/dbraw/zinc/48/83/78/598488378.db2.gz JRBKXTYHYGNHQT-UHFFFAOYSA-N -1 3 382.468 3.710 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000735662164 598490461 /nfs/dbraw/zinc/49/04/61/598490461.db2.gz RRWINWRTVHYGKJ-UHFFFAOYSA-N -1 3 396.499 3.504 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000735662164 598490462 /nfs/dbraw/zinc/49/04/62/598490462.db2.gz RRWINWRTVHYGKJ-UHFFFAOYSA-N -1 3 396.499 3.504 20 0 GHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000735661842 598490516 /nfs/dbraw/zinc/49/05/16/598490516.db2.gz XDNRARMXUDPMOA-UHFFFAOYSA-N -1 3 391.479 3.866 20 0 GHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000735661842 598490518 /nfs/dbraw/zinc/49/05/18/598490518.db2.gz XDNRARMXUDPMOA-UHFFFAOYSA-N -1 3 391.479 3.866 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000737042855 598492285 /nfs/dbraw/zinc/49/22/85/598492285.db2.gz TZOCRNOFMUDFAG-CYBMUJFWSA-N -1 3 382.420 3.581 20 0 GHADHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000737042855 598492286 /nfs/dbraw/zinc/49/22/86/598492286.db2.gz TZOCRNOFMUDFAG-CYBMUJFWSA-N -1 3 382.420 3.581 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCC2)ccc1C ZINC000520835832 598493166 /nfs/dbraw/zinc/49/31/66/598493166.db2.gz XECOXHPMWRSVDA-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM COc1cc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)ccc1C ZINC000520835832 598493167 /nfs/dbraw/zinc/49/31/67/598493167.db2.gz XECOXHPMWRSVDA-UHFFFAOYSA-N -1 3 377.448 3.634 20 0 GHADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1nc(-c2cccnc2)nc2c1CCC2 ZINC000737565630 598508566 /nfs/dbraw/zinc/50/85/66/598508566.db2.gz VFEJBRNNLILODV-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1nc(-c2cccnc2)nc2c1CCC2 ZINC000737565630 598508568 /nfs/dbraw/zinc/50/85/68/598508568.db2.gz VFEJBRNNLILODV-UHFFFAOYSA-N -1 3 391.822 3.653 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(Cl)c(Cl)n2C)c1-c1nnn[n-]1 ZINC000736676427 598516348 /nfs/dbraw/zinc/51/63/48/598516348.db2.gz UWWSFHPGQKGONO-UHFFFAOYSA-N -1 3 385.280 3.697 20 0 GHADHM CCc1c(C)sc(NC(=O)c2cc(Cl)c(Cl)n2C)c1-c1nn[n-]n1 ZINC000736676427 598516351 /nfs/dbraw/zinc/51/63/51/598516351.db2.gz UWWSFHPGQKGONO-UHFFFAOYSA-N -1 3 385.280 3.697 20 0 GHADHM CCc1c(C)sc(NC(=O)c2sccc2Br)c1-c1nnn[n-]1 ZINC000736679505 598516434 /nfs/dbraw/zinc/51/64/34/598516434.db2.gz WBEBSXNAJCPNIC-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM CCc1c(C)sc(NC(=O)c2sccc2Br)c1-c1nn[n-]n1 ZINC000736679505 598516435 /nfs/dbraw/zinc/51/64/35/598516435.db2.gz WBEBSXNAJCPNIC-UHFFFAOYSA-N -1 3 398.311 3.875 20 0 GHADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736244788 598538356 /nfs/dbraw/zinc/53/83/56/598538356.db2.gz NEFDHDSMWQNOJJ-KBPBESRZSA-N -1 3 395.463 3.593 20 0 GHADHM O=C(Nc1ccccc1Cl)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738191112 598538683 /nfs/dbraw/zinc/53/86/83/598538683.db2.gz QMCMXSANIHZKGO-UHFFFAOYSA-N -1 3 395.806 3.944 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1)C1CCC1 ZINC000738171739 598542701 /nfs/dbraw/zinc/54/27/01/598542701.db2.gz KFIMEUUAYBPQAD-UHFFFAOYSA-N -1 3 383.839 3.838 20 0 GHADHM O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1)C1CCC1 ZINC000738171739 598542703 /nfs/dbraw/zinc/54/27/03/598542703.db2.gz KFIMEUUAYBPQAD-UHFFFAOYSA-N -1 3 383.839 3.838 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737443923 598544045 /nfs/dbraw/zinc/54/40/45/598544045.db2.gz YFDDTNBICMDHQI-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM Cc1ccoc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737443923 598544047 /nfs/dbraw/zinc/54/40/47/598544047.db2.gz YFDDTNBICMDHQI-UHFFFAOYSA-N -1 3 375.388 3.599 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1(C)C ZINC000735680059 598544496 /nfs/dbraw/zinc/54/44/96/598544496.db2.gz QXTLNCAKJQRQSQ-RISCZKNCSA-N -1 3 377.395 3.645 20 0 GHADHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1(C)C ZINC000735680059 598544497 /nfs/dbraw/zinc/54/44/97/598544497.db2.gz QXTLNCAKJQRQSQ-RISCZKNCSA-N -1 3 377.395 3.645 20 0 GHADHM O=C(CCc1ccccc1Cl)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737856935 598546765 /nfs/dbraw/zinc/54/67/65/598546765.db2.gz IFTWFGJVYMDFQB-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(CCc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737856935 598546767 /nfs/dbraw/zinc/54/67/67/598546767.db2.gz IFTWFGJVYMDFQB-UHFFFAOYSA-N -1 3 393.781 3.693 20 0 GHADHM O=C(CSC(F)(F)F)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737930620 598556011 /nfs/dbraw/zinc/55/60/11/598556011.db2.gz RIEFVBOXBGSONP-UHFFFAOYSA-N -1 3 395.366 3.851 20 0 GHADHM O=C(CSC(F)(F)F)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737930620 598556013 /nfs/dbraw/zinc/55/60/13/598556013.db2.gz RIEFVBOXBGSONP-UHFFFAOYSA-N -1 3 395.366 3.851 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc2nccn2c1 ZINC000738171762 598556220 /nfs/dbraw/zinc/55/62/20/598556220.db2.gz KKJYZOQDZMCATH-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc2nccn2c1 ZINC000738171762 598556221 /nfs/dbraw/zinc/55/62/21/598556221.db2.gz KKJYZOQDZMCATH-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM CCN(Cc1cccs1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736555297 598560528 /nfs/dbraw/zinc/56/05/28/598560528.db2.gz FCCRFKNBSMNHHU-UHFFFAOYSA-N -1 3 394.407 3.584 20 0 GHADHM CCN(Cc1cccs1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736555297 598560529 /nfs/dbraw/zinc/56/05/29/598560529.db2.gz FCCRFKNBSMNHHU-UHFFFAOYSA-N -1 3 394.407 3.584 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(OCC3CC3)nc2)ccc1-c1nnn[n-]1 ZINC000737633631 598579783 /nfs/dbraw/zinc/57/97/83/598579783.db2.gz TYGYKAIIPHFQEV-UHFFFAOYSA-N -1 3 390.369 3.681 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(OCC3CC3)nc2)ccc1-c1nn[n-]n1 ZINC000737633631 598579784 /nfs/dbraw/zinc/57/97/84/598579784.db2.gz TYGYKAIIPHFQEV-UHFFFAOYSA-N -1 3 390.369 3.681 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737089850 598583608 /nfs/dbraw/zinc/58/36/08/598583608.db2.gz XPZYUYXJXGTQMZ-UHFFFAOYSA-N -1 3 383.427 3.756 20 0 GHADHM COc1ccc(CCCCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737089850 598583609 /nfs/dbraw/zinc/58/36/09/598583609.db2.gz XPZYUYXJXGTQMZ-UHFFFAOYSA-N -1 3 383.427 3.756 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737464773 598584036 /nfs/dbraw/zinc/58/40/36/598584036.db2.gz XUQLSPLWMVLHER-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737464773 598584038 /nfs/dbraw/zinc/58/40/38/598584038.db2.gz XUQLSPLWMVLHER-UHFFFAOYSA-N -1 3 380.408 3.690 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Br ZINC000738166434 598588546 /nfs/dbraw/zinc/58/85/46/598588546.db2.gz JNPPALZXCZONMX-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Br ZINC000738166434 598588547 /nfs/dbraw/zinc/58/85/47/598588547.db2.gz JNPPALZXCZONMX-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1COc1ccccc1 ZINC000738165874 598589475 /nfs/dbraw/zinc/58/94/75/598589475.db2.gz FVKHEXGOKORIHN-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1COc1ccccc1 ZINC000738165874 598589476 /nfs/dbraw/zinc/58/94/76/598589476.db2.gz FVKHEXGOKORIHN-UHFFFAOYSA-N -1 3 389.390 3.837 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000735447949 598591261 /nfs/dbraw/zinc/59/12/61/598591261.db2.gz MXQMPTCAEXGCDV-LCYFTJDESA-N -1 3 393.422 3.880 20 0 GHADHM C/C(=C/C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000735447949 598591263 /nfs/dbraw/zinc/59/12/63/598591263.db2.gz MXQMPTCAEXGCDV-LCYFTJDESA-N -1 3 393.422 3.880 20 0 GHADHM COc1cc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)ccc1SC ZINC000737047342 598593795 /nfs/dbraw/zinc/59/37/95/598593795.db2.gz MJHIGASVQPNNJL-UHFFFAOYSA-N -1 3 378.461 3.509 20 0 GHADHM COc1cc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)ccc1SC ZINC000737047342 598593798 /nfs/dbraw/zinc/59/37/98/598593798.db2.gz MJHIGASVQPNNJL-UHFFFAOYSA-N -1 3 378.461 3.509 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(Cc4ccc(-c5nnn[n-]5)cc4)n3)cn2)cc1 ZINC000738432041 598611952 /nfs/dbraw/zinc/61/19/52/598611952.db2.gz CVLQMVIYBSALQE-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM c1ccc(Oc2ccc(-c3noc(Cc4ccc(-c5nn[n-]n5)cc4)n3)cn2)cc1 ZINC000738432041 598611954 /nfs/dbraw/zinc/61/19/54/598611954.db2.gz CVLQMVIYBSALQE-UHFFFAOYSA-N -1 3 397.398 3.695 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736204471 598631750 /nfs/dbraw/zinc/63/17/50/598631750.db2.gz SFLWGOXJXOXOAI-JTQLQIEISA-N -1 3 397.439 3.840 20 0 GHADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736204471 598631751 /nfs/dbraw/zinc/63/17/51/598631751.db2.gz SFLWGOXJXOXOAI-JTQLQIEISA-N -1 3 397.439 3.840 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000736115851 598633535 /nfs/dbraw/zinc/63/35/35/598633535.db2.gz KGCHEXJVLBSMTF-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000736115851 598633536 /nfs/dbraw/zinc/63/35/36/598633536.db2.gz KGCHEXJVLBSMTF-VIFPVBQESA-N -1 3 394.332 3.907 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)C1CC1 ZINC000736115338 598633623 /nfs/dbraw/zinc/63/36/23/598633623.db2.gz HGHONUBXSMFXTA-GFCCVEGCSA-N -1 3 396.426 3.505 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)C1CC1 ZINC000736115338 598633625 /nfs/dbraw/zinc/63/36/25/598633625.db2.gz HGHONUBXSMFXTA-GFCCVEGCSA-N -1 3 396.426 3.505 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(CCOc2ccccc2-c2nnn[n-]2)n1 ZINC000737463137 598643512 /nfs/dbraw/zinc/64/35/12/598643512.db2.gz JZXHBGVJUVLDBD-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(CCOc2ccccc2-c2nn[n-]n2)n1 ZINC000737463137 598643513 /nfs/dbraw/zinc/64/35/13/598643513.db2.gz JZXHBGVJUVLDBD-UHFFFAOYSA-N -1 3 397.442 3.666 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000737463411 598643780 /nfs/dbraw/zinc/64/37/80/598643780.db2.gz REMGDBVFJCBWNC-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000737463411 598643782 /nfs/dbraw/zinc/64/37/82/598643782.db2.gz REMGDBVFJCBWNC-UHFFFAOYSA-N -1 3 385.406 3.774 20 0 GHADHM COc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737103923 598645872 /nfs/dbraw/zinc/64/58/72/598645872.db2.gz LEOCWHZZNQQPNV-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM COc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737103923 598645873 /nfs/dbraw/zinc/64/58/73/598645873.db2.gz LEOCWHZZNQQPNV-UHFFFAOYSA-N -1 3 387.399 3.920 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CCOCC2)cc1 ZINC000737332393 598646770 /nfs/dbraw/zinc/64/67/70/598646770.db2.gz UQCASSGIWKEQPL-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM Cc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CCOCC2)cc1 ZINC000737332393 598646772 /nfs/dbraw/zinc/64/67/72/598646772.db2.gz UQCASSGIWKEQPL-UHFFFAOYSA-N -1 3 397.866 3.515 20 0 GHADHM CC(C)N(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCC1 ZINC000735857620 598648177 /nfs/dbraw/zinc/64/81/77/598648177.db2.gz WMJQRCDYVHLVGB-UHFFFAOYSA-N -1 3 392.463 3.847 20 0 GHADHM CC(C)N(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCC1 ZINC000735857620 598648178 /nfs/dbraw/zinc/64/81/78/598648178.db2.gz WMJQRCDYVHLVGB-UHFFFAOYSA-N -1 3 392.463 3.847 20 0 GHADHM COc1ccc2ccc(OC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000737120682 598649260 /nfs/dbraw/zinc/64/92/60/598649260.db2.gz RIHUTIZDDIFMBM-UHFFFAOYSA-N -1 3 392.440 3.726 20 0 GHADHM COc1ccc2ccc(OC(=O)CSc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000737120682 598649261 /nfs/dbraw/zinc/64/92/61/598649261.db2.gz RIHUTIZDDIFMBM-UHFFFAOYSA-N -1 3 392.440 3.726 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736501482 598649522 /nfs/dbraw/zinc/64/95/22/598649522.db2.gz CNZVPPHFPPSWMA-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736501482 598649524 /nfs/dbraw/zinc/64/95/24/598649524.db2.gz CNZVPPHFPPSWMA-UHFFFAOYSA-N -1 3 379.464 3.777 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735827338 598651713 /nfs/dbraw/zinc/65/17/13/598651713.db2.gz KRBYMMIBHYUCNB-UHFFFAOYSA-N -1 3 395.532 3.686 20 0 GHADHM CC(C)CN(CCc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735827338 598651714 /nfs/dbraw/zinc/65/17/14/598651714.db2.gz KRBYMMIBHYUCNB-UHFFFAOYSA-N -1 3 395.532 3.686 20 0 GHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1OC1CCCC1 ZINC000737946843 598655956 /nfs/dbraw/zinc/65/59/56/598655956.db2.gz GUHFAFUMKYNJFC-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1OC1CCCC1 ZINC000737946843 598655958 /nfs/dbraw/zinc/65/59/58/598655958.db2.gz GUHFAFUMKYNJFC-UHFFFAOYSA-N -1 3 395.488 3.919 20 0 GHADHM CCOc1c(OC)cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000736627748 598667912 /nfs/dbraw/zinc/66/79/12/598667912.db2.gz MTIULFBRJLXLKZ-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CCOc1c(OC)cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000736627748 598667913 /nfs/dbraw/zinc/66/79/13/598667913.db2.gz MTIULFBRJLXLKZ-UHFFFAOYSA-N -1 3 389.843 3.548 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000735627039 598669123 /nfs/dbraw/zinc/66/91/23/598669123.db2.gz MBGNAAMNWMVEPF-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000735627039 598669125 /nfs/dbraw/zinc/66/91/25/598669125.db2.gz MBGNAAMNWMVEPF-GFCCVEGCSA-N -1 3 392.891 3.579 20 0 GHADHM Fc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000737650578 598679339 /nfs/dbraw/zinc/67/93/39/598679339.db2.gz PTFURZUSBNVMPT-MRXNPFEDSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000737650578 598679340 /nfs/dbraw/zinc/67/93/40/598679340.db2.gz PTFURZUSBNVMPT-MRXNPFEDSA-N -1 3 380.452 3.953 20 0 GHADHM Fc1cc(Br)ccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737643211 598680497 /nfs/dbraw/zinc/68/04/97/598680497.db2.gz CXQFWGMTGPHCQS-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM Fc1cc(Br)ccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737643211 598680499 /nfs/dbraw/zinc/68/04/99/598680499.db2.gz CXQFWGMTGPHCQS-UHFFFAOYSA-N -1 3 384.159 3.659 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1F ZINC000736194172 598698049 /nfs/dbraw/zinc/69/80/49/598698049.db2.gz WYFNEAWCBNNNEY-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1F ZINC000736194172 598698051 /nfs/dbraw/zinc/69/80/51/598698051.db2.gz WYFNEAWCBNNNEY-VIFPVBQESA-N -1 3 393.394 3.544 20 0 GHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000737803029 598699169 /nfs/dbraw/zinc/69/91/69/598699169.db2.gz ZSGOOWQOXWOTMH-KTKRTIGZSA-N -1 3 391.450 3.500 20 0 GHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(Cc2ccccc2F)CC1 ZINC000737803029 598699170 /nfs/dbraw/zinc/69/91/70/598699170.db2.gz ZSGOOWQOXWOTMH-KTKRTIGZSA-N -1 3 391.450 3.500 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000737594414 598702367 /nfs/dbraw/zinc/70/23/67/598702367.db2.gz UXWLWWJKPUIOSG-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000737594414 598702369 /nfs/dbraw/zinc/70/23/69/598702369.db2.gz UXWLWWJKPUIOSG-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1(c2cccc(F)c2)CCCC1 ZINC000738229856 598706563 /nfs/dbraw/zinc/70/65/63/598706563.db2.gz AVWDCSXVFYKGGD-UHFFFAOYSA-N -1 3 384.386 3.700 20 0 GHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1(c2cccc(F)c2)CCCC1 ZINC000738229856 598706565 /nfs/dbraw/zinc/70/65/65/598706565.db2.gz AVWDCSXVFYKGGD-UHFFFAOYSA-N -1 3 384.386 3.700 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737464498 598711184 /nfs/dbraw/zinc/71/11/84/598711184.db2.gz LNSWVBDBJOKTDN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737464498 598711185 /nfs/dbraw/zinc/71/11/85/598711185.db2.gz LNSWVBDBJOKTDN-UHFFFAOYSA-N -1 3 395.419 3.795 20 0 GHADHM O=C(CC[C@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737826588 598725351 /nfs/dbraw/zinc/72/53/51/598725351.db2.gz SBEYEZIXBCGWRP-GOSISDBHSA-N -1 3 392.459 3.926 20 0 GHADHM O=C(CC[C@H]1CCCCO1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737826588 598725352 /nfs/dbraw/zinc/72/53/52/598725352.db2.gz SBEYEZIXBCGWRP-GOSISDBHSA-N -1 3 392.459 3.926 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000735906807 598728866 /nfs/dbraw/zinc/72/88/66/598728866.db2.gz XDWVFFJMTTWXDN-MRXNPFEDSA-N -1 3 392.463 3.505 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000735906807 598728867 /nfs/dbraw/zinc/72/88/67/598728867.db2.gz XDWVFFJMTTWXDN-MRXNPFEDSA-N -1 3 392.463 3.505 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000735906804 598728957 /nfs/dbraw/zinc/72/89/57/598728957.db2.gz XDWVFFJMTTWXDN-INIZCTEOSA-N -1 3 392.463 3.505 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000735906804 598728958 /nfs/dbraw/zinc/72/89/58/598728958.db2.gz XDWVFFJMTTWXDN-INIZCTEOSA-N -1 3 392.463 3.505 20 0 GHADHM COc1ccc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737074655 598729202 /nfs/dbraw/zinc/72/92/02/598729202.db2.gz JNKQGOHIPHZTNV-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM COc1ccc([C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737074655 598729203 /nfs/dbraw/zinc/72/92/03/598729203.db2.gz JNKQGOHIPHZTNV-LBPRGKRZSA-N -1 3 386.839 3.766 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000736672141 598741734 /nfs/dbraw/zinc/74/17/34/598741734.db2.gz ZNHRIMDFDHTRSP-ZDUSSCGKSA-N -1 3 381.505 3.933 20 0 GHADHM CCc1c(C)sc(NC(=O)C[C@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000736672141 598741735 /nfs/dbraw/zinc/74/17/35/598741735.db2.gz ZNHRIMDFDHTRSP-ZDUSSCGKSA-N -1 3 381.505 3.933 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737821725 598742367 /nfs/dbraw/zinc/74/23/67/598742367.db2.gz WJMWMZDKUCUEBJ-ZDUSSCGKSA-N -1 3 393.516 3.941 20 0 GHADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737821725 598742368 /nfs/dbraw/zinc/74/23/68/598742368.db2.gz WJMWMZDKUCUEBJ-ZDUSSCGKSA-N -1 3 393.516 3.941 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736194118 598751294 /nfs/dbraw/zinc/75/12/94/598751294.db2.gz ZMEIYHQBDRHYDU-QMMMGPOBSA-N -1 3 388.503 3.657 20 0 GHADHM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736194118 598751295 /nfs/dbraw/zinc/75/12/95/598751295.db2.gz ZMEIYHQBDRHYDU-QMMMGPOBSA-N -1 3 388.503 3.657 20 0 GHADHM CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736604292 598765821 /nfs/dbraw/zinc/76/58/21/598765821.db2.gz VOQXAFKQQYLBSE-UHFFFAOYSA-N -1 3 399.476 3.655 20 0 GHADHM CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736604292 598765823 /nfs/dbraw/zinc/76/58/23/598765823.db2.gz VOQXAFKQQYLBSE-UHFFFAOYSA-N -1 3 399.476 3.655 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(NCCSc3ccccc3)c2c1 ZINC000737651383 598771436 /nfs/dbraw/zinc/77/14/36/598771436.db2.gz KHMKAOWNVHEACK-UHFFFAOYSA-N -1 3 384.415 3.897 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(NCCSc3ccccc3)c2c1 ZINC000737651383 598771437 /nfs/dbraw/zinc/77/14/37/598771437.db2.gz KHMKAOWNVHEACK-UHFFFAOYSA-N -1 3 384.415 3.897 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736668012 598777519 /nfs/dbraw/zinc/77/75/19/598777519.db2.gz WEBDUWMEHLCQOF-AWEZNQCLSA-N -1 3 396.520 3.881 20 0 GHADHM CCSc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736668012 598777521 /nfs/dbraw/zinc/77/75/21/598777521.db2.gz WEBDUWMEHLCQOF-AWEZNQCLSA-N -1 3 396.520 3.881 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737419132 598779857 /nfs/dbraw/zinc/77/98/57/598779857.db2.gz CPTUGQGOYQRCGY-LIRRHRJNSA-N -1 3 376.464 3.687 20 0 GHADHM Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737419132 598779859 /nfs/dbraw/zinc/77/98/59/598779859.db2.gz CPTUGQGOYQRCGY-LIRRHRJNSA-N -1 3 376.464 3.687 20 0 GHADHM CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000736510475 598788457 /nfs/dbraw/zinc/78/84/57/598788457.db2.gz XJYFBFGUUGDPEH-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM CCN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000736510475 598788458 /nfs/dbraw/zinc/78/84/58/598788458.db2.gz XJYFBFGUUGDPEH-UHFFFAOYSA-N -1 3 386.843 3.583 20 0 GHADHM Cc1ccc2oc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)cc2n1 ZINC000737374148 598790708 /nfs/dbraw/zinc/79/07/08/598790708.db2.gz KQFSEIVRXFVBMQ-UHFFFAOYSA-N -1 3 390.447 3.615 20 0 GHADHM Cc1ccc2oc(C(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)CC(C)C)cc2n1 ZINC000737374148 598790710 /nfs/dbraw/zinc/79/07/10/598790710.db2.gz KQFSEIVRXFVBMQ-UHFFFAOYSA-N -1 3 390.447 3.615 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737857141 598791303 /nfs/dbraw/zinc/79/13/03/598791303.db2.gz NFGKNHFPGXFTFX-UHFFFAOYSA-N -1 3 383.477 3.821 20 0 GHADHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737857141 598791306 /nfs/dbraw/zinc/79/13/06/598791306.db2.gz NFGKNHFPGXFTFX-UHFFFAOYSA-N -1 3 383.477 3.821 20 0 GHADHM C[C@H](NCc1c(Cl)cccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138130 598798486 /nfs/dbraw/zinc/79/84/86/598798486.db2.gz ZONFUHUHNXHDSH-JTQLQIEISA-N -1 3 379.798 3.972 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738175414 598815054 /nfs/dbraw/zinc/81/50/54/598815054.db2.gz YEPKABNNHPLKNX-UHFFFAOYSA-N -1 3 384.443 3.774 20 0 GHADHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738175414 598815055 /nfs/dbraw/zinc/81/50/55/598815055.db2.gz YEPKABNNHPLKNX-UHFFFAOYSA-N -1 3 384.443 3.774 20 0 GHADHM CCOc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821436668 599294438 /nfs/dbraw/zinc/29/44/38/599294438.db2.gz DUXULTXQQMISJK-UHFFFAOYSA-N -1 3 392.341 3.928 20 0 GHADHM CCOc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821436668 599294440 /nfs/dbraw/zinc/29/44/40/599294440.db2.gz DUXULTXQQMISJK-UHFFFAOYSA-N -1 3 392.341 3.928 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)N1C2CCC1CC2 ZINC000823356076 599298206 /nfs/dbraw/zinc/29/82/06/599298206.db2.gz JWJYUAXOFIUKLP-UHFFFAOYSA-N -1 3 394.410 3.957 20 0 GHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)N1C2CCC1CC2 ZINC000823356076 599298208 /nfs/dbraw/zinc/29/82/08/599298208.db2.gz JWJYUAXOFIUKLP-UHFFFAOYSA-N -1 3 394.410 3.957 20 0 GHADHM CCN(C(=O)c1ccc(SC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507573 599312901 /nfs/dbraw/zinc/31/29/01/599312901.db2.gz GBHFVRUCXDBDSQ-UHFFFAOYSA-N -1 3 375.404 3.848 20 0 GHADHM CCN(C(=O)c1ccc(SC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507573 599312904 /nfs/dbraw/zinc/31/29/04/599312904.db2.gz GBHFVRUCXDBDSQ-UHFFFAOYSA-N -1 3 375.404 3.848 20 0 GHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000736198782 599313813 /nfs/dbraw/zinc/31/38/13/599313813.db2.gz KSFISFYILUSZNO-CZUORRHYSA-N -1 3 398.536 3.755 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140336 599324664 /nfs/dbraw/zinc/32/46/64/599324664.db2.gz UGPFIZLDYGNXQH-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140336 599324666 /nfs/dbraw/zinc/32/46/66/599324666.db2.gz UGPFIZLDYGNXQH-CXAGYDPISA-N -1 3 383.427 3.737 20 0 GHADHM Cc1ncc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)s1 ZINC000737493032 599326011 /nfs/dbraw/zinc/32/60/11/599326011.db2.gz WZWATJJPZVWNEG-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM Cc1ncc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)s1 ZINC000737493032 599326014 /nfs/dbraw/zinc/32/60/14/599326014.db2.gz WZWATJJPZVWNEG-UHFFFAOYSA-N -1 3 378.461 3.823 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(-n3cccn3)cc2)ccc1-c1nnn[n-]1 ZINC000737634248 599330917 /nfs/dbraw/zinc/33/09/17/599330917.db2.gz ZTNBVFJUYMJZHT-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM FC(F)(F)c1cc(NCc2ccc(-n3cccn3)cc2)ccc1-c1nn[n-]n1 ZINC000737634248 599330920 /nfs/dbraw/zinc/33/09/20/599330920.db2.gz ZTNBVFJUYMJZHT-UHFFFAOYSA-N -1 3 385.353 3.683 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737102056 599331296 /nfs/dbraw/zinc/33/12/96/599331296.db2.gz LRJSPPZCRCRDRZ-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM COc1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737102056 599331298 /nfs/dbraw/zinc/33/12/98/599331298.db2.gz LRJSPPZCRCRDRZ-QWHCGFSZSA-N -1 3 383.477 3.697 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735904880 599336609 /nfs/dbraw/zinc/33/66/09/599336609.db2.gz VGVQAQDMLLLJCJ-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM CC(C)Oc1c(Cl)cccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735904880 599336612 /nfs/dbraw/zinc/33/66/12/599336612.db2.gz VGVQAQDMLLLJCJ-UHFFFAOYSA-N -1 3 386.843 3.629 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000820555032 599349993 /nfs/dbraw/zinc/34/99/93/599349993.db2.gz DZBASIHHAYXGDX-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000820555032 599349997 /nfs/dbraw/zinc/34/99/97/599349997.db2.gz DZBASIHHAYXGDX-VXGBXAGGSA-N -1 3 387.896 3.878 20 0 GHADHM Cc1ccc([C@H](NC(=O)CSc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000822230925 599351146 /nfs/dbraw/zinc/35/11/46/599351146.db2.gz VJRYMRZWBVHYQS-IBGZPJMESA-N -1 3 379.489 3.535 20 0 GHADHM Cc1ccc([C@H](NC(=O)CSc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000822230925 599351151 /nfs/dbraw/zinc/35/11/51/599351151.db2.gz VJRYMRZWBVHYQS-IBGZPJMESA-N -1 3 379.489 3.535 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCSCC1 ZINC000738235987 599367547 /nfs/dbraw/zinc/36/75/47/599367547.db2.gz DFTSANRBUNFXSV-UHFFFAOYSA-N -1 3 380.473 3.720 20 0 GHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCSCC1 ZINC000738235987 599367550 /nfs/dbraw/zinc/36/75/50/599367550.db2.gz DFTSANRBUNFXSV-UHFFFAOYSA-N -1 3 380.473 3.720 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc(Cl)cn1 ZINC000738173359 599375572 /nfs/dbraw/zinc/37/55/72/599375572.db2.gz PCBPMNPZYHJZLA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc(Cl)cn1 ZINC000738173359 599375575 /nfs/dbraw/zinc/37/55/75/599375575.db2.gz PCBPMNPZYHJZLA-UHFFFAOYSA-N -1 3 392.806 3.960 20 0 GHADHM CCc1nnc([C@H](C)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000821518539 599376213 /nfs/dbraw/zinc/37/62/13/599376213.db2.gz ZDXWYTPGDDJNMM-LBPRGKRZSA-N -1 3 377.408 3.778 20 0 GHADHM Cc1ccc(C(C)C)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822229127 599382565 /nfs/dbraw/zinc/38/25/65/599382565.db2.gz NLPOVWYELKKAAQ-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM Cc1ccc(C(C)C)cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822229127 599382567 /nfs/dbraw/zinc/38/25/67/599382567.db2.gz NLPOVWYELKKAAQ-UHFFFAOYSA-N -1 3 376.420 3.928 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CCC2 ZINC000737215220 599383402 /nfs/dbraw/zinc/38/34/02/599383402.db2.gz FHJIKZPOWOOPQC-CYBMUJFWSA-N -1 3 397.866 3.575 20 0 GHADHM Cc1c(Cl)ccc2c1N(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CCC2 ZINC000737215220 599383405 /nfs/dbraw/zinc/38/34/05/599383405.db2.gz FHJIKZPOWOOPQC-CYBMUJFWSA-N -1 3 397.866 3.575 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819946430 599385948 /nfs/dbraw/zinc/38/59/48/599385948.db2.gz KFCQOIYLRURLML-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819946430 599385951 /nfs/dbraw/zinc/38/59/51/599385951.db2.gz KFCQOIYLRURLML-UHFFFAOYSA-N -1 3 385.399 3.932 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000821553455 599387448 /nfs/dbraw/zinc/38/74/48/599387448.db2.gz INRZMHRDZWAORL-LLVKDONJSA-N -1 3 395.398 3.917 20 0 GHADHM CCc1noc([C@@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000821553455 599387450 /nfs/dbraw/zinc/38/74/50/599387450.db2.gz INRZMHRDZWAORL-LLVKDONJSA-N -1 3 395.398 3.917 20 0 GHADHM Cc1noc([C@H](C)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)n1 ZINC000822520348 599387787 /nfs/dbraw/zinc/38/77/87/599387787.db2.gz YQPCQVSZURDCDZ-JTQLQIEISA-N -1 3 381.371 3.663 20 0 GHADHM Cc1noc([C@H](C)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)n1 ZINC000822520348 599387790 /nfs/dbraw/zinc/38/77/90/599387790.db2.gz YQPCQVSZURDCDZ-JTQLQIEISA-N -1 3 381.371 3.663 20 0 GHADHM OC1(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC000823696260 599387988 /nfs/dbraw/zinc/38/79/88/599387988.db2.gz BSGJHNXKKURQNV-UHFFFAOYSA-N -1 3 383.427 3.905 20 0 GHADHM OC1(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC000823696260 599387991 /nfs/dbraw/zinc/38/79/91/599387991.db2.gz BSGJHNXKKURQNV-UHFFFAOYSA-N -1 3 383.427 3.905 20 0 GHADHM COc1ccc(-c2cc(COc3c(C)cc(-c4nn[n-]n4)cc3C)on2)cc1 ZINC000821728320 599388662 /nfs/dbraw/zinc/38/86/62/599388662.db2.gz UICNYEAECDZRIB-UHFFFAOYSA-N -1 3 377.404 3.726 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822213833 599389229 /nfs/dbraw/zinc/38/92/29/599389229.db2.gz CKZAPBJKIRTNJC-KBPBESRZSA-N -1 3 375.436 3.637 20 0 GHADHM CC(C)Oc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1-c1nnn[n-]1 ZINC000820173371 607373316 /nfs/dbraw/zinc/37/33/16/607373316.db2.gz BUSPFPGFJBLUQD-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM CC(C)Oc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1-c1nn[n-]n1 ZINC000820173371 607373318 /nfs/dbraw/zinc/37/33/18/607373318.db2.gz BUSPFPGFJBLUQD-UHFFFAOYSA-N -1 3 383.843 3.567 20 0 GHADHM Cc1cc(C)c(NC(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822193938 607373505 /nfs/dbraw/zinc/37/35/05/607373505.db2.gz ASTANIICLLYUTO-UHFFFAOYSA-N -1 3 394.479 3.630 20 0 GHADHM Cc1cc(C)c(NC(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822193938 607373507 /nfs/dbraw/zinc/37/35/07/607373507.db2.gz ASTANIICLLYUTO-UHFFFAOYSA-N -1 3 394.479 3.630 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820351407 599401195 /nfs/dbraw/zinc/40/11/95/599401195.db2.gz OLDGPHDOAGHZMN-CABCVRRESA-N -1 3 390.491 3.867 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820351407 599401197 /nfs/dbraw/zinc/40/11/97/599401197.db2.gz OLDGPHDOAGHZMN-CABCVRRESA-N -1 3 390.491 3.867 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000820348887 599405265 /nfs/dbraw/zinc/40/52/65/599405265.db2.gz GSBFDESOYXHYMV-VHSXEESVSA-N -1 3 376.873 3.703 20 0 GHADHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000820348887 599405269 /nfs/dbraw/zinc/40/52/69/599405269.db2.gz GSBFDESOYXHYMV-VHSXEESVSA-N -1 3 376.873 3.703 20 0 GHADHM COc1cc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)ccc1OC1CCCC1 ZINC000821708681 599406349 /nfs/dbraw/zinc/40/63/49/599406349.db2.gz WCOKRFTULYUAJK-CYBMUJFWSA-N -1 3 383.452 3.641 20 0 GHADHM COc1ccc(OC2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737110444 599411312 /nfs/dbraw/zinc/41/13/12/599411312.db2.gz YYHRYEIUCSSXGU-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM COc1ccc(OC2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737110444 599411316 /nfs/dbraw/zinc/41/13/16/599411316.db2.gz YYHRYEIUCSSXGU-UHFFFAOYSA-N -1 3 385.855 3.577 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CCCO2 ZINC000737666331 599418008 /nfs/dbraw/zinc/41/80/08/599418008.db2.gz KGWNSUIMGQRELF-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CCCO2 ZINC000737666331 599418009 /nfs/dbraw/zinc/41/80/09/599418009.db2.gz KGWNSUIMGQRELF-QGZVFWFLSA-N -1 3 376.395 3.880 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000738381577 599420685 /nfs/dbraw/zinc/42/06/85/599420685.db2.gz IHAHUJWGZXEKMK-AWEZNQCLSA-N -1 3 399.760 3.564 20 0 GHADHM O[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000738381577 599420688 /nfs/dbraw/zinc/42/06/88/599420688.db2.gz IHAHUJWGZXEKMK-AWEZNQCLSA-N -1 3 399.760 3.564 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820353022 599441057 /nfs/dbraw/zinc/44/10/57/599441057.db2.gz XEEZDLRVWQOXIN-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820353022 599441060 /nfs/dbraw/zinc/44/10/60/599441060.db2.gz XEEZDLRVWQOXIN-QWRGUYRKSA-N -1 3 388.834 3.781 20 0 GHADHM c1csc(-c2cc(CSCCOc3ccc(-c4nn[n-]n4)cc3)no2)c1 ZINC000738447018 599453110 /nfs/dbraw/zinc/45/31/10/599453110.db2.gz AKQSFWIWFNYAFV-UHFFFAOYSA-N -1 3 385.474 3.895 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736236677 599462908 /nfs/dbraw/zinc/46/29/08/599462908.db2.gz STFJOAPIGCWNAA-TZMCWYRMSA-N -1 3 382.468 3.581 20 0 GHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736236677 599462911 /nfs/dbraw/zinc/46/29/11/599462911.db2.gz STFJOAPIGCWNAA-TZMCWYRMSA-N -1 3 382.468 3.581 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(Oc3nccs3)c2)s1 ZINC000736679197 599465835 /nfs/dbraw/zinc/46/58/35/599465835.db2.gz NWKZLINFTRLYHH-UHFFFAOYSA-N -1 3 398.473 3.992 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(Oc3nccs3)c2)s1 ZINC000736679197 599465836 /nfs/dbraw/zinc/46/58/36/599465836.db2.gz NWKZLINFTRLYHH-UHFFFAOYSA-N -1 3 398.473 3.992 20 0 GHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1cc(Cl)cs1 ZINC000736628566 599466051 /nfs/dbraw/zinc/46/60/51/599466051.db2.gz PKDZIAFMTJXRPS-UHFFFAOYSA-N -1 3 378.841 3.519 20 0 GHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1cc(Cl)cs1 ZINC000736628566 599466053 /nfs/dbraw/zinc/46/60/53/599466053.db2.gz PKDZIAFMTJXRPS-UHFFFAOYSA-N -1 3 378.841 3.519 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341644 599476135 /nfs/dbraw/zinc/47/61/35/599476135.db2.gz QXZRLMCCROEIET-PXAZEXFGSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341644 599476138 /nfs/dbraw/zinc/47/61/38/599476138.db2.gz QXZRLMCCROEIET-PXAZEXFGSA-N -1 3 382.855 3.738 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348118 599477894 /nfs/dbraw/zinc/47/78/94/599477894.db2.gz AAUNDXNFCQIHDN-FZKQIMNGSA-N -1 3 380.427 3.614 20 0 GHADHM C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348118 599477896 /nfs/dbraw/zinc/47/78/96/599477896.db2.gz AAUNDXNFCQIHDN-FZKQIMNGSA-N -1 3 380.427 3.614 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820349832 599483533 /nfs/dbraw/zinc/48/35/33/599483533.db2.gz IYQXOORMGMCPNG-IFXJQAMLSA-N -1 3 396.470 3.633 20 0 GHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820349832 599483537 /nfs/dbraw/zinc/48/35/37/599483537.db2.gz IYQXOORMGMCPNG-IFXJQAMLSA-N -1 3 396.470 3.633 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820920205 599483783 /nfs/dbraw/zinc/48/37/83/599483783.db2.gz MXHGICBQXFNMIV-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820920205 599483784 /nfs/dbraw/zinc/48/37/84/599483784.db2.gz MXHGICBQXFNMIV-PIGZYNQJSA-N -1 3 386.406 3.656 20 0 GHADHM Clc1ccc([C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)cc1 ZINC000822573679 599489447 /nfs/dbraw/zinc/48/94/47/599489447.db2.gz CVRBTEQUNJECQF-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM Clc1ccc([C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)cc1 ZINC000822573679 599489450 /nfs/dbraw/zinc/48/94/50/599489450.db2.gz CVRBTEQUNJECQF-SFHVURJKSA-N -1 3 392.850 3.646 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110644 599492546 /nfs/dbraw/zinc/49/25/46/599492546.db2.gz IUHGDQQTUPQMNR-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736110644 599492548 /nfs/dbraw/zinc/49/25/48/599492548.db2.gz IUHGDQQTUPQMNR-ZIAGYGMSSA-N -1 3 398.898 3.854 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)O1 ZINC000820689650 599493948 /nfs/dbraw/zinc/49/39/48/599493948.db2.gz AHJKSWFBHZCGOX-KBXCAEBGSA-N -1 3 378.432 3.787 20 0 GHADHM C[C@H]1CC[C@H](CCC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)O1 ZINC000820689650 599493949 /nfs/dbraw/zinc/49/39/49/599493949.db2.gz AHJKSWFBHZCGOX-KBXCAEBGSA-N -1 3 378.432 3.787 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737182032 599502572 /nfs/dbraw/zinc/50/25/72/599502572.db2.gz OQSCKOLKEADXAF-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM CSCC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737182032 599502575 /nfs/dbraw/zinc/50/25/75/599502575.db2.gz OQSCKOLKEADXAF-ZDUSSCGKSA-N -1 3 398.492 3.922 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737181114 599503093 /nfs/dbraw/zinc/50/30/93/599503093.db2.gz FWMMBBXIKXKGMU-UHFFFAOYSA-N -1 3 398.492 3.842 20 0 GHADHM CSCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737181114 599503094 /nfs/dbraw/zinc/50/30/94/599503094.db2.gz FWMMBBXIKXKGMU-UHFFFAOYSA-N -1 3 398.492 3.842 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000822210830 599504957 /nfs/dbraw/zinc/50/49/57/599504957.db2.gz SMTCZAONBUTXJT-HOTGVXAUSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000822210830 599504958 /nfs/dbraw/zinc/50/49/58/599504958.db2.gz SMTCZAONBUTXJT-HOTGVXAUSA-N -1 3 393.491 3.943 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822424591 599507782 /nfs/dbraw/zinc/50/77/82/599507782.db2.gz XITYBWFYRQCGOM-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822424591 599507783 /nfs/dbraw/zinc/50/77/83/599507783.db2.gz XITYBWFYRQCGOM-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820233547 607381792 /nfs/dbraw/zinc/38/17/92/607381792.db2.gz KXZGGDPECUFZME-QLJPJBMISA-N -1 3 395.360 3.949 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418840 599510493 /nfs/dbraw/zinc/51/04/93/599510493.db2.gz GRBARFBMMMRSDI-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM Cc1nc(-c2cccc(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418840 599510495 /nfs/dbraw/zinc/51/04/95/599510495.db2.gz GRBARFBMMMRSDI-LBPRGKRZSA-N -1 3 390.472 3.790 20 0 GHADHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820235943 607381861 /nfs/dbraw/zinc/38/18/61/607381861.db2.gz VNKAIZUOJZXFPD-BDJLRTHQSA-N -1 3 377.370 3.810 20 0 GHADHM C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820321028 599520854 /nfs/dbraw/zinc/52/08/54/599520854.db2.gz BIINXLYNCOFHAC-LRDDRELGSA-N -1 3 389.381 3.780 20 0 GHADHM C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820321028 599520856 /nfs/dbraw/zinc/52/08/56/599520856.db2.gz BIINXLYNCOFHAC-LRDDRELGSA-N -1 3 389.381 3.780 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821850165 599532506 /nfs/dbraw/zinc/53/25/06/599532506.db2.gz XQSRNLYVRLKKIZ-RHSMWYFYSA-N -1 3 391.475 3.563 20 0 GHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821850165 599532508 /nfs/dbraw/zinc/53/25/08/599532508.db2.gz XQSRNLYVRLKKIZ-RHSMWYFYSA-N -1 3 391.475 3.563 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccs1 ZINC000735569820 599537743 /nfs/dbraw/zinc/53/77/43/599537743.db2.gz INNJOWUYIXBZAD-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccs1 ZINC000735569820 599537745 /nfs/dbraw/zinc/53/77/45/599537745.db2.gz INNJOWUYIXBZAD-JTQLQIEISA-N -1 3 382.474 3.794 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000119185126 599538457 /nfs/dbraw/zinc/53/84/57/599538457.db2.gz TZHMZIZOQARRPL-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000119185126 599538458 /nfs/dbraw/zinc/53/84/58/599538458.db2.gz TZHMZIZOQARRPL-LLVKDONJSA-N -1 3 375.354 3.703 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404425 599542499 /nfs/dbraw/zinc/54/24/99/599542499.db2.gz UZDPFIKAPKJSSC-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM C[C@H](NC(=O)c1occc1COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404425 599542501 /nfs/dbraw/zinc/54/25/01/599542501.db2.gz UZDPFIKAPKJSSC-AWEZNQCLSA-N -1 3 389.415 3.530 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(F)cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821400457 599544919 /nfs/dbraw/zinc/54/49/19/599544919.db2.gz JXLVNELOSZDJEX-CDNVCLAFSA-N -1 3 395.438 3.696 20 0 GHADHM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(F)cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821400457 599544920 /nfs/dbraw/zinc/54/49/20/599544920.db2.gz JXLVNELOSZDJEX-CDNVCLAFSA-N -1 3 395.438 3.696 20 0 GHADHM O=C(CC/C=C/c1ccccc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737827443 599545025 /nfs/dbraw/zinc/54/50/25/599545025.db2.gz YRESCPUZIFBBAC-XBXARRHUSA-N -1 3 385.374 3.900 20 0 GHADHM O=C(CC/C=C/c1ccccc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737827443 599545028 /nfs/dbraw/zinc/54/50/28/599545028.db2.gz YRESCPUZIFBBAC-XBXARRHUSA-N -1 3 385.374 3.900 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404452 599545357 /nfs/dbraw/zinc/54/53/57/599545357.db2.gz VOLCFZCOHRAFFX-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404452 599545358 /nfs/dbraw/zinc/54/53/58/599545358.db2.gz VOLCFZCOHRAFFX-CQSZACIVSA-N -1 3 386.415 3.545 20 0 GHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820686708 599547655 /nfs/dbraw/zinc/54/76/55/599547655.db2.gz ZNQUKFJZKKOZAP-CVEARBPZSA-N -1 3 391.475 3.706 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000737327888 599558736 /nfs/dbraw/zinc/55/87/36/599558736.db2.gz CJZDOFWPTYXXRP-KKSFZXQISA-N -1 3 391.475 3.554 20 0 GHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000737327888 599558739 /nfs/dbraw/zinc/55/87/39/599558739.db2.gz CJZDOFWPTYXXRP-KKSFZXQISA-N -1 3 391.475 3.554 20 0 GHADHM CN(C)[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821581794 599559899 /nfs/dbraw/zinc/55/98/99/599559899.db2.gz UZXCFXPESJIMOC-CQSZACIVSA-N -1 3 378.814 3.513 20 0 GHADHM CN(C)[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000821581794 599559900 /nfs/dbraw/zinc/55/99/00/599559900.db2.gz UZXCFXPESJIMOC-CQSZACIVSA-N -1 3 378.814 3.513 20 0 GHADHM CCCCOCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736459615 599561772 /nfs/dbraw/zinc/56/17/72/599561772.db2.gz FZROREPRLNHHJD-UHFFFAOYSA-N -1 3 394.479 3.547 20 0 GHADHM CC[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000736401672 599564435 /nfs/dbraw/zinc/56/44/35/599564435.db2.gz KQUQBUVXLIRDMR-OAHLLOKOSA-N -1 3 376.464 3.873 20 0 GHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736331462 599611425 /nfs/dbraw/zinc/61/14/25/599611425.db2.gz PENIPWBOGMHFPM-RISCZKNCSA-N -1 3 394.426 3.901 20 0 GHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736331462 599611427 /nfs/dbraw/zinc/61/14/27/599611427.db2.gz PENIPWBOGMHFPM-RISCZKNCSA-N -1 3 394.426 3.901 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccccc3-c3nnn[n-]3)c2)cs1 ZINC000822419604 599621487 /nfs/dbraw/zinc/62/14/87/599621487.db2.gz ROYADSBFJCADAF-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1nc(-c2cccc(C(=O)OCc3ccccc3-c3nn[n-]n3)c2)cs1 ZINC000822419604 599621488 /nfs/dbraw/zinc/62/14/88/599621488.db2.gz ROYADSBFJCADAF-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361425 599626061 /nfs/dbraw/zinc/62/60/61/599626061.db2.gz USHYRZHGQDCXML-QAZIKRLUSA-N -1 3 382.464 3.551 20 0 GHADHM CCO[C@@H]1C[C@@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361425 599626062 /nfs/dbraw/zinc/62/60/62/599626062.db2.gz USHYRZHGQDCXML-QAZIKRLUSA-N -1 3 382.464 3.551 20 0 GHADHM CCOC(=O)c1sc(NC(=O)CCCC2CCCC2)c(-c2nnn[n-]2)c1C ZINC000821346246 599628344 /nfs/dbraw/zinc/62/83/44/599628344.db2.gz FHDOKVZEAGFMNJ-UHFFFAOYSA-N -1 3 391.497 3.712 20 0 GHADHM CCOC(=O)c1sc(NC(=O)CCCC2CCCC2)c(-c2nn[n-]n2)c1C ZINC000821346246 599628345 /nfs/dbraw/zinc/62/83/45/599628345.db2.gz FHDOKVZEAGFMNJ-UHFFFAOYSA-N -1 3 391.497 3.712 20 0 GHADHM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822016352 599629704 /nfs/dbraw/zinc/62/97/04/599629704.db2.gz YIBCWYJTDYCVNG-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822016352 599629705 /nfs/dbraw/zinc/62/97/05/599629705.db2.gz YIBCWYJTDYCVNG-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2SCCc3ccccc32)c1-c1nnn[n-]1 ZINC000821465124 599631098 /nfs/dbraw/zinc/63/10/98/599631098.db2.gz BQUWXRVZBBUNQB-HNNXBMFYSA-N -1 3 385.518 3.768 20 0 GHADHM CCc1c(C)sc(NC(=O)[C@H]2SCCc3ccccc32)c1-c1nn[n-]n1 ZINC000821465124 599631099 /nfs/dbraw/zinc/63/10/99/599631099.db2.gz BQUWXRVZBBUNQB-HNNXBMFYSA-N -1 3 385.518 3.768 20 0 GHADHM CCc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821480804 599634473 /nfs/dbraw/zinc/63/44/73/599634473.db2.gz FDIHKSAQRUYAMP-UHFFFAOYSA-N -1 3 375.354 3.629 20 0 GHADHM CCc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821480804 599634474 /nfs/dbraw/zinc/63/44/74/599634474.db2.gz FDIHKSAQRUYAMP-UHFFFAOYSA-N -1 3 375.354 3.629 20 0 GHADHM CC(C)[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(F)cc1 ZINC000820025648 599635160 /nfs/dbraw/zinc/63/51/60/599635160.db2.gz AMZQHAJFJFHGAS-SFHVURJKSA-N -1 3 393.426 3.543 20 0 GHADHM CCC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000820833032 599647862 /nfs/dbraw/zinc/64/78/62/599647862.db2.gz QSNBNKVASQZZRU-NTCAYCPXSA-N -1 3 381.867 3.972 20 0 GHADHM CCC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000820833032 599647863 /nfs/dbraw/zinc/64/78/63/599647863.db2.gz QSNBNKVASQZZRU-NTCAYCPXSA-N -1 3 381.867 3.972 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820068467 599652578 /nfs/dbraw/zinc/65/25/78/599652578.db2.gz QJMHWIYXHDWWHO-HNNXBMFYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)C[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820068467 599652579 /nfs/dbraw/zinc/65/25/79/599652579.db2.gz QJMHWIYXHDWWHO-HNNXBMFYSA-N -1 3 395.463 3.547 20 0 GHADHM CC(C)CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820077070 599657272 /nfs/dbraw/zinc/65/72/72/599657272.db2.gz ZQMUHUKEIQAUOX-HNNXBMFYSA-N -1 3 395.463 3.698 20 0 GHADHM CCCC[C@H](CC)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821039843 599661980 /nfs/dbraw/zinc/66/19/80/599661980.db2.gz HPXQUFPPUYGLTG-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM CCCC[C@H](CC)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821039843 599661981 /nfs/dbraw/zinc/66/19/81/599661981.db2.gz HPXQUFPPUYGLTG-ZDUSSCGKSA-N -1 3 384.440 3.566 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ncoc1-c1ccccc1Cl ZINC000823422647 599667791 /nfs/dbraw/zinc/66/77/91/599667791.db2.gz ZYSZJANVLLYKGL-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ncoc1-c1ccccc1Cl ZINC000823422647 599667792 /nfs/dbraw/zinc/66/77/92/599667792.db2.gz ZYSZJANVLLYKGL-UHFFFAOYSA-N -1 3 399.769 3.671 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821482840 599668025 /nfs/dbraw/zinc/66/80/25/599668025.db2.gz VPOHLRZNNCZLNU-KSSFIOAISA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821482840 599668026 /nfs/dbraw/zinc/66/80/26/599668026.db2.gz VPOHLRZNNCZLNU-KSSFIOAISA-N -1 3 394.479 3.705 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821481591 599674356 /nfs/dbraw/zinc/67/43/56/599674356.db2.gz LUVKFXKVMBMVNH-QGZVFWFLSA-N -1 3 398.442 3.598 20 0 GHADHM CCc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821481591 599674357 /nfs/dbraw/zinc/67/43/57/599674357.db2.gz LUVKFXKVMBMVNH-QGZVFWFLSA-N -1 3 398.442 3.598 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000821105053 599677919 /nfs/dbraw/zinc/67/79/19/599677919.db2.gz WNMMTBDYFIOJJI-YTQUADARSA-N -1 3 382.512 3.757 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000821105053 599677920 /nfs/dbraw/zinc/67/79/20/599677920.db2.gz WNMMTBDYFIOJJI-YTQUADARSA-N -1 3 382.512 3.757 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820339867 599679844 /nfs/dbraw/zinc/67/98/44/599679844.db2.gz HOCUHECOTNECIO-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM C[C@@H](NC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820339867 599679845 /nfs/dbraw/zinc/67/98/45/599679845.db2.gz HOCUHECOTNECIO-AUUYWEPGSA-N -1 3 376.464 3.647 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000070810419 599693918 /nfs/dbraw/zinc/69/39/18/599693918.db2.gz NCZWRSCHMLPYHE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000070810419 599693919 /nfs/dbraw/zinc/69/39/19/599693919.db2.gz NCZWRSCHMLPYHE-UHFFFAOYSA-N -1 3 382.836 3.896 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820374591 599694567 /nfs/dbraw/zinc/69/45/67/599694567.db2.gz PCFUEGOWYQEITF-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000820374591 599694568 /nfs/dbraw/zinc/69/45/68/599694568.db2.gz PCFUEGOWYQEITF-AWEZNQCLSA-N -1 3 385.431 3.811 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000826252819 607387255 /nfs/dbraw/zinc/38/72/55/607387255.db2.gz SPAXGAGXGXEQDZ-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000826252819 607387257 /nfs/dbraw/zinc/38/72/57/607387257.db2.gz SPAXGAGXGXEQDZ-UHFFFAOYSA-N -1 3 395.806 3.841 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559344 599713192 /nfs/dbraw/zinc/71/31/92/599713192.db2.gz BRFYLDYSOXYOSL-XBFCOCLRSA-N -1 3 399.472 3.875 20 0 GHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739559344 599713193 /nfs/dbraw/zinc/71/31/93/599713193.db2.gz BRFYLDYSOXYOSL-XBFCOCLRSA-N -1 3 399.472 3.875 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000826250952 607388721 /nfs/dbraw/zinc/38/87/21/607388721.db2.gz ALUMATRVZOCLCI-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000826250952 607388723 /nfs/dbraw/zinc/38/87/23/607388723.db2.gz ALUMATRVZOCLCI-ZDUSSCGKSA-N -1 3 375.388 3.748 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)OC(C)(C)C ZINC000772629201 607391405 /nfs/dbraw/zinc/39/14/05/607391405.db2.gz BQWWLQFEDQFWIR-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)OC(C)(C)C ZINC000772629201 607391407 /nfs/dbraw/zinc/39/14/07/607391407.db2.gz BQWWLQFEDQFWIR-UHFFFAOYSA-N -1 3 394.435 3.774 20 0 GHADHM Cc1ccc(S(=O)(=O)c2ccc(CN[C@H](C(=O)[O-])c3ccccc3)cc2)cc1 ZINC000738659809 599781988 /nfs/dbraw/zinc/78/19/88/599781988.db2.gz GKVYFAXIGXSQBY-NRFANRHFSA-N -1 3 395.480 3.743 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000820166269 607398454 /nfs/dbraw/zinc/39/84/54/607398454.db2.gz UXFXFQJGOCMURN-UHFFFAOYSA-N -1 3 389.818 3.628 20 0 GHADHM CC(C)Oc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000820166269 607398456 /nfs/dbraw/zinc/39/84/56/607398456.db2.gz UXFXFQJGOCMURN-UHFFFAOYSA-N -1 3 389.818 3.628 20 0 GHADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736723522 599830877 /nfs/dbraw/zinc/83/08/77/599830877.db2.gz GUVFQRCRRISWSR-OXJNMPFZSA-N -1 3 381.476 3.661 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000820173370 607398790 /nfs/dbraw/zinc/39/87/90/607398790.db2.gz BTCIKYFUSURKOE-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000820173370 607398792 /nfs/dbraw/zinc/39/87/92/607398792.db2.gz BTCIKYFUSURKOE-UHFFFAOYSA-N -1 3 390.403 3.561 20 0 GHADHM Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000822299422 607399745 /nfs/dbraw/zinc/39/97/45/607399745.db2.gz INLXVAFZMDCSOY-UHFFFAOYSA-N -1 3 377.448 3.633 20 0 GHADHM Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000822299422 607399747 /nfs/dbraw/zinc/39/97/47/607399747.db2.gz INLXVAFZMDCSOY-UHFFFAOYSA-N -1 3 377.448 3.633 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820161335 607401938 /nfs/dbraw/zinc/40/19/38/607401938.db2.gz VMLZPORAXMFETH-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820161335 607401939 /nfs/dbraw/zinc/40/19/39/607401939.db2.gz VMLZPORAXMFETH-ZIAGYGMSSA-N -1 3 399.401 3.674 20 0 GHADHM O=C([O-])N1CCC[C@@H](NCc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000739925464 599860124 /nfs/dbraw/zinc/86/01/24/599860124.db2.gz AYLVLZMZEMKJER-CQSZACIVSA-N -1 3 379.254 3.941 20 0 GHADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821824151 607402713 /nfs/dbraw/zinc/40/27/13/607402713.db2.gz IIQFKEQGXJVKFZ-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821824151 607402715 /nfs/dbraw/zinc/40/27/15/607402715.db2.gz IIQFKEQGXJVKFZ-UHFFFAOYSA-N -1 3 387.827 3.568 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1-c1nnn[n-]1 ZINC000820169579 607406953 /nfs/dbraw/zinc/40/69/53/607406953.db2.gz JQOOZLMMPSRGML-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1-c1nn[n-]n1 ZINC000820169579 607406955 /nfs/dbraw/zinc/40/69/55/607406955.db2.gz JQOOZLMMPSRGML-UHFFFAOYSA-N -1 3 393.234 3.608 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000826254407 607413879 /nfs/dbraw/zinc/41/38/79/607413879.db2.gz JLWWLVAIUAQTHR-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc(-c2ccccc2)s1 ZINC000826254407 607413880 /nfs/dbraw/zinc/41/38/80/607413880.db2.gz JLWWLVAIUAQTHR-UHFFFAOYSA-N -1 3 377.429 3.656 20 0 GHADHM CC[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C)cc1 ZINC000825080561 607415284 /nfs/dbraw/zinc/41/52/84/607415284.db2.gz AKYRGVAAQIEJJX-INIZCTEOSA-N -1 3 375.476 3.864 20 0 GHADHM CC[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C)cc1 ZINC000825080561 607415285 /nfs/dbraw/zinc/41/52/85/607415285.db2.gz AKYRGVAAQIEJJX-INIZCTEOSA-N -1 3 375.476 3.864 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826316183 607428785 /nfs/dbraw/zinc/42/87/85/607428785.db2.gz GTTSUNGSEBLAFT-NEPJUHHUSA-N -1 3 385.518 3.919 20 0 GHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826316183 607428786 /nfs/dbraw/zinc/42/87/86/607428786.db2.gz GTTSUNGSEBLAFT-NEPJUHHUSA-N -1 3 385.518 3.919 20 0 GHADHM CN(CC[S@](=O)c1cc(Cl)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737447632 600212508 /nfs/dbraw/zinc/21/25/08/600212508.db2.gz CIDYIRKFCBICOB-FYSMJZIKSA-N -1 3 386.300 3.859 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccco2)C(C)C)cc1-c1nnn[n-]1 ZINC000820166345 607431056 /nfs/dbraw/zinc/43/10/56/607431056.db2.gz VZUOGRPSINTEGK-UHFFFAOYSA-N -1 3 384.440 3.689 20 0 GHADHM CC(C)Oc1ccc(NC(=O)N(Cc2ccco2)C(C)C)cc1-c1nn[n-]n1 ZINC000820166345 607431058 /nfs/dbraw/zinc/43/10/58/607431058.db2.gz VZUOGRPSINTEGK-UHFFFAOYSA-N -1 3 384.440 3.689 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824458252 607442695 /nfs/dbraw/zinc/44/26/95/607442695.db2.gz URDFDSHWJMCCHY-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824458252 607442696 /nfs/dbraw/zinc/44/26/96/607442696.db2.gz URDFDSHWJMCCHY-GFCCVEGCSA-N -1 3 389.381 3.727 20 0 GHADHM O=C([O-])[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(Cl)c1 ZINC000739483703 600426813 /nfs/dbraw/zinc/42/68/13/600426813.db2.gz IXCDGZTWHMPPGX-IBGZPJMESA-N -1 3 395.846 3.903 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826408290 607447206 /nfs/dbraw/zinc/44/72/06/607447206.db2.gz ZMIXASMWUJLOFK-UHFFFAOYSA-N -1 3 399.454 3.594 20 0 GHADHM O=C(CCOc1ccc2ccccc2c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826408290 607447207 /nfs/dbraw/zinc/44/72/07/607447207.db2.gz ZMIXASMWUJLOFK-UHFFFAOYSA-N -1 3 399.454 3.594 20 0 GHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000736723550 600516264 /nfs/dbraw/zinc/51/62/64/600516264.db2.gz GXWFGHIRZKNRLX-CZUORRHYSA-N -1 3 387.867 3.995 20 0 GHADHM CCSc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737229845 600523298 /nfs/dbraw/zinc/52/32/98/600523298.db2.gz RGVHRYAVGZBQML-CABCVRRESA-N -1 3 386.517 3.852 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826264579 607455603 /nfs/dbraw/zinc/45/56/03/607455603.db2.gz SVEHPJVTJDRSBE-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM Cc1cc(C)cc([C@H](C)NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264579 607455604 /nfs/dbraw/zinc/45/56/04/607455604.db2.gz SVEHPJVTJDRSBE-HNNXBMFYSA-N -1 3 376.464 3.533 20 0 GHADHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(-c2ccccc2)cc1 ZINC000826460879 607468588 /nfs/dbraw/zinc/46/85/88/607468588.db2.gz WHKFFWZFSGQSKI-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(-c2ccccc2)cc1 ZINC000826460879 607468589 /nfs/dbraw/zinc/46/85/89/607468589.db2.gz WHKFFWZFSGQSKI-UHFFFAOYSA-N -1 3 393.410 3.729 20 0 GHADHM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739639840 600909525 /nfs/dbraw/zinc/90/95/25/600909525.db2.gz COVXRRYZKNDDPX-ROUUACIJSA-N -1 3 396.462 3.643 20 0 GHADHM Clc1ccc(CN(Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)cc1Cl ZINC000826352246 607487076 /nfs/dbraw/zinc/48/70/76/607487076.db2.gz UQGGXLHDGFWMCE-UHFFFAOYSA-N -1 3 375.263 3.733 20 0 GHADHM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830499732 601130984 /nfs/dbraw/zinc/13/09/84/601130984.db2.gz BGLNRLIXVMCDOF-QGZVFWFLSA-N -1 3 385.439 3.652 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)s1 ZINC000820736449 607494176 /nfs/dbraw/zinc/49/41/76/607494176.db2.gz ZOKBADHCTFTTSL-SECBINFHSA-N -1 3 388.522 3.885 20 0 GHADHM CC(C)c1ncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)s1 ZINC000820736449 607494179 /nfs/dbraw/zinc/49/41/79/607494179.db2.gz ZOKBADHCTFTTSL-SECBINFHSA-N -1 3 388.522 3.885 20 0 GHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000832914158 601500180 /nfs/dbraw/zinc/50/01/80/601500180.db2.gz BQXCSIHBJSOPFZ-DLBZAZTESA-N -1 3 395.503 3.971 20 0 GHADHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)n1C(C)C ZINC000832863654 601732384 /nfs/dbraw/zinc/73/23/84/601732384.db2.gz SERFOLGCESIANK-HSZRJFAPSA-N -1 3 397.519 3.535 20 0 GHADHM C[C@@H](CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000824402516 607531801 /nfs/dbraw/zinc/53/18/01/607531801.db2.gz XEODCWRCSUMKOK-INIZCTEOSA-N -1 3 375.476 3.942 20 0 GHADHM C[C@@H](CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000824402516 607531802 /nfs/dbraw/zinc/53/18/02/607531802.db2.gz XEODCWRCSUMKOK-INIZCTEOSA-N -1 3 375.476 3.942 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)cs1 ZINC000825576322 607536012 /nfs/dbraw/zinc/53/60/12/607536012.db2.gz DPXFNYUDLZLMDA-LLVKDONJSA-N -1 3 391.522 3.863 20 0 GHADHM CCO[C@H](C)c1nc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)cs1 ZINC000825576322 607536014 /nfs/dbraw/zinc/53/60/14/607536014.db2.gz DPXFNYUDLZLMDA-LLVKDONJSA-N -1 3 391.522 3.863 20 0 GHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1cccc(COCC(F)(F)F)c1 ZINC000826371747 607543042 /nfs/dbraw/zinc/54/30/42/607543042.db2.gz SDAORDLZXPIBHU-UHFFFAOYSA-N -1 3 399.323 3.836 20 0 GHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1cccc(COCC(F)(F)F)c1 ZINC000826371747 607543044 /nfs/dbraw/zinc/54/30/44/607543044.db2.gz SDAORDLZXPIBHU-UHFFFAOYSA-N -1 3 399.323 3.836 20 0 GHADHM CC1CCN(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000739107199 602598173 /nfs/dbraw/zinc/59/81/73/602598173.db2.gz HEJIHLWMZHYGRU-UHFFFAOYSA-N -1 3 388.390 3.649 20 0 GHADHM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000740704804 603033204 /nfs/dbraw/zinc/03/32/04/603033204.db2.gz FHUCIISXRCGUIW-SFHVURJKSA-N -1 3 386.427 3.874 20 0 GHADHM COc1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1NC(=O)[O-] ZINC000739919346 603092625 /nfs/dbraw/zinc/09/26/25/603092625.db2.gz PQLZPZOKGVDWBT-UHFFFAOYSA-N -1 3 383.404 3.845 20 0 GHADHM O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(Cl)c1 ZINC000740698058 603251349 /nfs/dbraw/zinc/25/13/49/603251349.db2.gz JYJCPIYTBPTUKK-INIZCTEOSA-N -1 3 387.867 3.824 20 0 GHADHM CN(C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737368513 603452389 /nfs/dbraw/zinc/45/23/89/603452389.db2.gz RMVPDKSKKCVWOL-UHFFFAOYSA-N -1 3 381.432 3.557 20 0 GHADHM Fc1cccc(CN(Cc2cscn2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826376514 607643655 /nfs/dbraw/zinc/64/36/55/607643655.db2.gz HECUZXAVEIQAPO-UHFFFAOYSA-N -1 3 380.452 3.665 20 0 GHADHM Fc1cccc(CN(Cc2cscn2)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826376514 607643656 /nfs/dbraw/zinc/64/36/56/607643656.db2.gz HECUZXAVEIQAPO-UHFFFAOYSA-N -1 3 380.452 3.665 20 0 GHADHM c1sc(N[C@H]2CCOc3ccccc32)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826512454 607647269 /nfs/dbraw/zinc/64/72/69/607647269.db2.gz AWAYGQQMXHLSJU-HNNXBMFYSA-N -1 3 376.445 3.926 20 0 GHADHM c1sc(N[C@H]2CCOc3ccccc32)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826512454 607647270 /nfs/dbraw/zinc/64/72/70/607647270.db2.gz AWAYGQQMXHLSJU-HNNXBMFYSA-N -1 3 376.445 3.926 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000826246857 607661866 /nfs/dbraw/zinc/66/18/66/607661866.db2.gz NPZMFHOJPVTJDG-LLVKDONJSA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000826246857 607661867 /nfs/dbraw/zinc/66/18/67/607661867.db2.gz NPZMFHOJPVTJDG-LLVKDONJSA-N -1 3 391.353 3.565 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000826250347 607662229 /nfs/dbraw/zinc/66/22/29/607662229.db2.gz WMPOWNHRACCUKH-UHFFFAOYSA-N -1 3 376.420 3.866 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000826250347 607662231 /nfs/dbraw/zinc/66/22/31/607662231.db2.gz WMPOWNHRACCUKH-UHFFFAOYSA-N -1 3 376.420 3.866 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000826244062 607663298 /nfs/dbraw/zinc/66/32/98/607663298.db2.gz FZNIQUYYLYVFAE-FZKQIMNGSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000826244062 607663300 /nfs/dbraw/zinc/66/33/00/607663300.db2.gz FZNIQUYYLYVFAE-FZKQIMNGSA-N -1 3 377.448 3.696 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000826250381 607668602 /nfs/dbraw/zinc/66/86/02/607668602.db2.gz YCGLJXCLEQFODT-UHFFFAOYSA-N -1 3 399.458 3.627 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000826250381 607668603 /nfs/dbraw/zinc/66/86/03/607668603.db2.gz YCGLJXCLEQFODT-UHFFFAOYSA-N -1 3 399.458 3.627 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000826247194 607675625 /nfs/dbraw/zinc/67/56/25/607675625.db2.gz WLCSDNNIMIKYSA-KRWDZBQOSA-N -1 3 399.401 3.584 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000826247194 607675626 /nfs/dbraw/zinc/67/56/26/607675626.db2.gz WLCSDNNIMIKYSA-KRWDZBQOSA-N -1 3 399.401 3.584 20 0 GHADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000827717756 604290804 /nfs/dbraw/zinc/29/08/04/604290804.db2.gz LRZGWDCDSPSDDQ-NXEZZACHSA-N -1 3 380.338 3.682 20 0 GHADHM CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825082726 607693244 /nfs/dbraw/zinc/69/32/44/607693244.db2.gz VBIGAVPXIFXEEB-GJZGRUSLSA-N -1 3 379.464 3.636 20 0 GHADHM CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825082726 607693246 /nfs/dbraw/zinc/69/32/46/607693246.db2.gz VBIGAVPXIFXEEB-GJZGRUSLSA-N -1 3 379.464 3.636 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000826247053 607694119 /nfs/dbraw/zinc/69/41/19/607694119.db2.gz SDBRDISVOPORMS-CQSZACIVSA-N -1 3 389.463 3.597 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000826247053 607694120 /nfs/dbraw/zinc/69/41/20/607694120.db2.gz SDBRDISVOPORMS-CQSZACIVSA-N -1 3 389.463 3.597 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824804038 607697323 /nfs/dbraw/zinc/69/73/23/607697323.db2.gz ZBCRBOYWSWVNAY-QGZVFWFLSA-N -1 3 396.539 3.512 20 0 GHADHM CC1(C)CCCC[C@@H]1CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824804038 607697324 /nfs/dbraw/zinc/69/73/24/607697324.db2.gz ZBCRBOYWSWVNAY-QGZVFWFLSA-N -1 3 396.539 3.512 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC[C@H]1c1ccccc1 ZINC000825202396 607697677 /nfs/dbraw/zinc/69/76/77/607697677.db2.gz KBPJRHXIUYFVEG-OXQOHEQNSA-N -1 3 375.476 3.831 20 0 GHADHM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC[C@H]1c1ccccc1 ZINC000825202396 607697679 /nfs/dbraw/zinc/69/76/79/607697679.db2.gz KBPJRHXIUYFVEG-OXQOHEQNSA-N -1 3 375.476 3.831 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000826243515 607698489 /nfs/dbraw/zinc/69/84/89/607698489.db2.gz KZZMQXQTICGQQE-IBGZPJMESA-N -1 3 381.455 3.654 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000826243515 607698490 /nfs/dbraw/zinc/69/84/90/607698490.db2.gz KZZMQXQTICGQQE-IBGZPJMESA-N -1 3 381.455 3.654 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000826250850 607709174 /nfs/dbraw/zinc/70/91/74/607709174.db2.gz VWEPWDMYFNCPCA-UHFFFAOYSA-N -1 3 376.464 3.806 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000826250850 607709176 /nfs/dbraw/zinc/70/91/76/607709176.db2.gz VWEPWDMYFNCPCA-UHFFFAOYSA-N -1 3 376.464 3.806 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000826250331 607711890 /nfs/dbraw/zinc/71/18/90/607711890.db2.gz WBHOBXAJFPCRTQ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000826250331 607711892 /nfs/dbraw/zinc/71/18/92/607711892.db2.gz WBHOBXAJFPCRTQ-UHFFFAOYSA-N -1 3 392.644 3.843 20 0 GHADHM CC[C@@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825081727 607715956 /nfs/dbraw/zinc/71/59/56/607715956.db2.gz MYMGVXNLGJCQNJ-AWEZNQCLSA-N -1 3 384.411 3.642 20 0 GHADHM CC[C@@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825081727 607715958 /nfs/dbraw/zinc/71/59/58/607715958.db2.gz MYMGVXNLGJCQNJ-AWEZNQCLSA-N -1 3 384.411 3.642 20 0 GHADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824393833 607722856 /nfs/dbraw/zinc/72/28/56/607722856.db2.gz ULCNJKAFRHAMOS-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824393833 607722858 /nfs/dbraw/zinc/72/28/58/607722858.db2.gz ULCNJKAFRHAMOS-SNVBAGLBSA-N -1 3 376.338 3.521 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000833421567 604954186 /nfs/dbraw/zinc/95/41/86/604954186.db2.gz RUGKIKONVSLJOI-PZJWPPBQSA-N -1 3 386.536 3.857 20 0 GHADHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000833417982 604955162 /nfs/dbraw/zinc/95/51/62/604955162.db2.gz ZWUYOEHVSBAOEE-GOEBONIOSA-N -1 3 398.425 3.634 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826466015 607726105 /nfs/dbraw/zinc/72/61/05/607726105.db2.gz MDCDOCCZVOEPGK-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(CCC(F)(F)F)cc1 ZINC000826466015 607726107 /nfs/dbraw/zinc/72/61/07/607726107.db2.gz MDCDOCCZVOEPGK-UHFFFAOYSA-N -1 3 376.338 3.719 20 0 GHADHM CC(=O)N1CCCCC[C@H]1C1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000833394394 605041413 /nfs/dbraw/zinc/04/14/13/605041413.db2.gz XDGZMXHXRFDFNC-QAPCUYQASA-N -1 3 376.497 3.850 20 0 GHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833547452 605179441 /nfs/dbraw/zinc/17/94/41/605179441.db2.gz DKQDBOHQYPKYHN-QRWLVFNGSA-N -1 3 386.467 3.787 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826283640 607746133 /nfs/dbraw/zinc/74/61/33/607746133.db2.gz WPKSXPLEFDDLDF-MRXNPFEDSA-N -1 3 393.491 3.945 20 0 GHADHM Cc1ccc(C(C)C)c(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826283640 607746134 /nfs/dbraw/zinc/74/61/34/607746134.db2.gz WPKSXPLEFDDLDF-MRXNPFEDSA-N -1 3 393.491 3.945 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1-c1nnn[n-]1 ZINC000825540210 607757707 /nfs/dbraw/zinc/75/77/07/607757707.db2.gz VNBMQYKPRFYIIB-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1-c1nn[n-]n1 ZINC000825540210 607757708 /nfs/dbraw/zinc/75/77/08/607757708.db2.gz VNBMQYKPRFYIIB-UHFFFAOYSA-N -1 3 399.386 3.527 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000825545777 607761394 /nfs/dbraw/zinc/76/13/94/607761394.db2.gz WVCWPELDCWNKHE-UHFFFAOYSA-N -1 3 394.435 3.811 20 0 GHADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000825545777 607761395 /nfs/dbraw/zinc/76/13/95/607761395.db2.gz WVCWPELDCWNKHE-UHFFFAOYSA-N -1 3 394.435 3.811 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cnc(C2CC2)s1 ZINC000826459926 607770021 /nfs/dbraw/zinc/77/00/21/607770021.db2.gz FWIBQZNDDWKCNL-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cnc(C2CC2)s1 ZINC000826459926 607770022 /nfs/dbraw/zinc/77/00/22/607770022.db2.gz FWIBQZNDDWKCNL-UHFFFAOYSA-N -1 3 395.473 3.576 20 0 GHADHM Cc1noc(C(F)F)c1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000822519425 606054930 /nfs/dbraw/zinc/05/49/30/606054930.db2.gz GUCAHONVHIKYHO-LURJTMIESA-N -1 3 394.407 3.539 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823779561 606060419 /nfs/dbraw/zinc/06/04/19/606060419.db2.gz GHAIWXCTKJPFLR-YLJYHZDGSA-N -1 3 386.459 3.995 20 0 GHADHM c1ccc([C@H]2OCCC[C@@H]2CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823779561 606060424 /nfs/dbraw/zinc/06/04/24/606060424.db2.gz GHAIWXCTKJPFLR-YLJYHZDGSA-N -1 3 386.459 3.995 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341769 606117079 /nfs/dbraw/zinc/11/70/79/606117079.db2.gz RKGDZPZMYIZJGQ-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341769 606117081 /nfs/dbraw/zinc/11/70/81/606117081.db2.gz RKGDZPZMYIZJGQ-BIENJYKASA-N -1 3 394.454 3.860 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339296 606117165 /nfs/dbraw/zinc/11/71/65/606117165.db2.gz BIYUCIRZRQFZLR-CYBMUJFWSA-N -1 3 376.420 3.516 20 0 GHADHM C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339296 606117167 /nfs/dbraw/zinc/11/71/67/606117167.db2.gz BIYUCIRZRQFZLR-CYBMUJFWSA-N -1 3 376.420 3.516 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc(Cl)s1 ZINC000819877033 606121628 /nfs/dbraw/zinc/12/16/28/606121628.db2.gz NLJIRZZTPRRZOE-ZETCQYMHSA-N -1 3 379.898 3.874 20 0 GHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc(Cl)s1 ZINC000819877033 606121629 /nfs/dbraw/zinc/12/16/29/606121629.db2.gz NLJIRZZTPRRZOE-ZETCQYMHSA-N -1 3 379.898 3.874 20 0 GHADHM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1OC(F)F ZINC000820519826 606135174 /nfs/dbraw/zinc/13/51/74/606135174.db2.gz XAKGXRFIYXOAOD-SSDOTTSWSA-N -1 3 384.339 3.587 20 0 GHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1cccc2[nH]ccc21 ZINC000823350484 606151548 /nfs/dbraw/zinc/15/15/48/606151548.db2.gz OVVCWUIVOQUMEA-UHFFFAOYSA-N -1 3 397.398 3.788 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000822728706 606176364 /nfs/dbraw/zinc/17/63/64/606176364.db2.gz KDKXXBLNACVWTO-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM FC(F)(F)c1ccc(NCc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000822728706 606176365 /nfs/dbraw/zinc/17/63/65/606176365.db2.gz KDKXXBLNACVWTO-UHFFFAOYSA-N -1 3 391.353 3.659 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCSC2(CCCCC2)C1 ZINC000823303862 606194497 /nfs/dbraw/zinc/19/44/97/606194497.db2.gz XIDHBAALJCHGOQ-UHFFFAOYSA-N -1 3 392.916 3.804 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCSC2(CCCCC2)C1 ZINC000823303862 606194499 /nfs/dbraw/zinc/19/44/99/606194499.db2.gz XIDHBAALJCHGOQ-UHFFFAOYSA-N -1 3 392.916 3.804 20 0 GHADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1F ZINC000823422336 606194515 /nfs/dbraw/zinc/19/45/15/606194515.db2.gz QXIXUKNRLFBDDZ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1F ZINC000823422336 606194517 /nfs/dbraw/zinc/19/45/17/606194517.db2.gz QXIXUKNRLFBDDZ-UHFFFAOYSA-N -1 3 384.264 3.521 20 0 GHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000821612236 606195338 /nfs/dbraw/zinc/19/53/38/606195338.db2.gz NYFGYIUROVRUFT-UHFFFAOYSA-N -1 3 389.419 3.549 20 0 GHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000821612236 606195339 /nfs/dbraw/zinc/19/53/39/606195339.db2.gz NYFGYIUROVRUFT-UHFFFAOYSA-N -1 3 389.419 3.549 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822121273 606198456 /nfs/dbraw/zinc/19/84/56/606198456.db2.gz CNKKHUNSNUTAKG-UHFFFAOYSA-N -1 3 378.480 3.563 20 0 GHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822121273 606198458 /nfs/dbraw/zinc/19/84/58/606198458.db2.gz CNKKHUNSNUTAKG-UHFFFAOYSA-N -1 3 378.480 3.563 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cn3C)c2)C1 ZINC000820698629 606236607 /nfs/dbraw/zinc/23/66/07/606236607.db2.gz VFAMKMKDRLDDAW-RDTXWAMCSA-N -1 3 394.479 3.553 20 0 GHADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(-c4nn[n-]n4)cn3C)c2)C1 ZINC000820698629 606236608 /nfs/dbraw/zinc/23/66/08/606236608.db2.gz VFAMKMKDRLDDAW-RDTXWAMCSA-N -1 3 394.479 3.553 20 0 GHADHM COCc1nc(C)cc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000821696069 606242057 /nfs/dbraw/zinc/24/20/57/606242057.db2.gz VEKNNGLURHUXAR-UHFFFAOYSA-N -1 3 390.403 3.696 20 0 GHADHM COCc1nc(C)cc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821696069 606242059 /nfs/dbraw/zinc/24/20/59/606242059.db2.gz VEKNNGLURHUXAR-UHFFFAOYSA-N -1 3 390.403 3.696 20 0 GHADHM O=C1c2ccccc2N[C@@H](c2cc(-c3nnn[n-]3)cs2)N1Cc1ccccc1 ZINC000823551555 606244308 /nfs/dbraw/zinc/24/43/08/606244308.db2.gz VKHYEMYQUVUWMP-LJQANCHMSA-N -1 3 388.456 3.695 20 0 GHADHM O=C1c2ccccc2N[C@@H](c2cc(-c3nn[n-]n3)cs2)N1Cc1ccccc1 ZINC000823551555 606244310 /nfs/dbraw/zinc/24/43/10/606244310.db2.gz VKHYEMYQUVUWMP-LJQANCHMSA-N -1 3 388.456 3.695 20 0 GHADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000822650643 606247202 /nfs/dbraw/zinc/24/72/02/606247202.db2.gz XLGLJDMSNSKBGE-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000822650643 606247204 /nfs/dbraw/zinc/24/72/04/606247204.db2.gz XLGLJDMSNSKBGE-UHFFFAOYSA-N -1 3 395.426 3.673 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2cccs2)cc1 ZINC000820192180 606247517 /nfs/dbraw/zinc/24/75/17/606247517.db2.gz FZDICUXUQVRWOE-GOSISDBHSA-N -1 3 392.488 3.899 20 0 GHADHM CC(C)c1ccc([C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2cccs2)cc1 ZINC000820192180 606247518 /nfs/dbraw/zinc/24/75/18/606247518.db2.gz FZDICUXUQVRWOE-GOSISDBHSA-N -1 3 392.488 3.899 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820299686 606264436 /nfs/dbraw/zinc/26/44/36/606264436.db2.gz JDSXDMKINFNRCA-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820299686 606264438 /nfs/dbraw/zinc/26/44/38/606264438.db2.gz JDSXDMKINFNRCA-SNVBAGLBSA-N -1 3 393.344 3.842 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000819864973 606266185 /nfs/dbraw/zinc/26/61/85/606266185.db2.gz ATQUKMSNTLDNPA-ZETCQYMHSA-N -1 3 396.245 3.572 20 0 GHADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000819864973 606266187 /nfs/dbraw/zinc/26/61/87/606266187.db2.gz ATQUKMSNTLDNPA-ZETCQYMHSA-N -1 3 396.245 3.572 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nnn[n-]3)cs2)nc2cc(Cl)ccc12 ZINC000823656998 606305416 /nfs/dbraw/zinc/30/54/16/606305416.db2.gz LHBBEHSNVWWDPR-WZUFQYTHSA-N -1 3 391.243 3.555 20 0 GHADHM O=c1[nH]c(C(Cl)=Cc2cc(-c3nn[n-]n3)cs2)nc2cc(Cl)ccc12 ZINC000823656998 606305419 /nfs/dbraw/zinc/30/54/19/606305419.db2.gz LHBBEHSNVWWDPR-WZUFQYTHSA-N -1 3 391.243 3.555 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822275874 606341497 /nfs/dbraw/zinc/34/14/97/606341497.db2.gz YWDAJJKLLKMCAB-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM Cc1ccc2c(CCC(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822275874 606341498 /nfs/dbraw/zinc/34/14/98/606341498.db2.gz YWDAJJKLLKMCAB-AWEZNQCLSA-N -1 3 375.432 3.893 20 0 GHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000820151245 606343436 /nfs/dbraw/zinc/34/34/36/606343436.db2.gz DVBWNXQXERBXSW-JKIFEVAISA-N -1 3 384.484 3.839 20 0 GHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000820151245 606343438 /nfs/dbraw/zinc/34/34/38/606343438.db2.gz DVBWNXQXERBXSW-JKIFEVAISA-N -1 3 384.484 3.839 20 0 GHADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494882 606347471 /nfs/dbraw/zinc/34/74/71/606347471.db2.gz CTKLTFQPOMMPLR-LBPRGKRZSA-N -1 3 388.374 3.608 20 0 GHADHM C[C@H](OC(=O)CCCOc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494882 606347472 /nfs/dbraw/zinc/34/74/72/606347472.db2.gz CTKLTFQPOMMPLR-LBPRGKRZSA-N -1 3 388.374 3.608 20 0 GHADHM CSc1nc(C(C)C)nc(C)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821988502 606347960 /nfs/dbraw/zinc/34/79/60/606347960.db2.gz DQZISENFXALRFJ-LBPRGKRZSA-N -1 3 398.492 3.728 20 0 GHADHM CSc1nc(C(C)C)nc(C)c1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821988502 606347962 /nfs/dbraw/zinc/34/79/62/606347962.db2.gz DQZISENFXALRFJ-LBPRGKRZSA-N -1 3 398.492 3.728 20 0 GHADHM C[C@@H](OC(=O)c1sccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518896 606348063 /nfs/dbraw/zinc/34/80/63/606348063.db2.gz MZAREAILKKWFTA-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@@H](OC(=O)c1sccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518896 606348064 /nfs/dbraw/zinc/34/80/64/606348064.db2.gz MZAREAILKKWFTA-MRVPVSSYSA-N -1 3 379.239 3.609 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495721 606352319 /nfs/dbraw/zinc/35/23/19/606352319.db2.gz JKVCUMGZFPKYRK-LBPRGKRZSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@H](OC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495721 606352320 /nfs/dbraw/zinc/35/23/20/606352320.db2.gz JKVCUMGZFPKYRK-LBPRGKRZSA-N -1 3 388.374 3.705 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820742430 606357013 /nfs/dbraw/zinc/35/70/13/606357013.db2.gz JUOOKMSVTSOBNW-CJNGLKHVSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820742430 606357015 /nfs/dbraw/zinc/35/70/15/606357015.db2.gz JUOOKMSVTSOBNW-CJNGLKHVSA-N -1 3 380.427 3.663 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820667716 606358835 /nfs/dbraw/zinc/35/88/35/606358835.db2.gz NPFKGYUYBYTCMJ-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820667716 606358837 /nfs/dbraw/zinc/35/88/37/606358837.db2.gz NPFKGYUYBYTCMJ-GTNSWQLSSA-N -1 3 384.390 3.760 20 0 GHADHM Cc1ncsc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822481963 606361303 /nfs/dbraw/zinc/36/13/03/606361303.db2.gz HXPJSBSGNLCWNQ-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM Cc1ncsc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822481963 606361305 /nfs/dbraw/zinc/36/13/05/606361305.db2.gz HXPJSBSGNLCWNQ-UHFFFAOYSA-N -1 3 379.401 3.643 20 0 GHADHM CS/C=C\C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000821956485 606361582 /nfs/dbraw/zinc/36/15/82/606361582.db2.gz PTDXMTWBMQUEJE-KTKRTIGZSA-N -1 3 383.452 3.724 20 0 GHADHM CS/C=C\C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000821956485 606361583 /nfs/dbraw/zinc/36/15/83/606361583.db2.gz PTDXMTWBMQUEJE-KTKRTIGZSA-N -1 3 383.452 3.724 20 0 GHADHM C[C@H](OC(=O)c1cccn1Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512752 606398283 /nfs/dbraw/zinc/39/82/83/606398283.db2.gz OHKFBBTXBGUEDM-ZDUSSCGKSA-N -1 3 379.445 3.696 20 0 GHADHM C[C@H](OC(=O)c1cccn1Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512752 606398285 /nfs/dbraw/zinc/39/82/85/606398285.db2.gz OHKFBBTXBGUEDM-ZDUSSCGKSA-N -1 3 379.445 3.696 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821770867 606398783 /nfs/dbraw/zinc/39/87/83/606398783.db2.gz YTRISRWJPTWCHN-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM COc1ccc(C(=O)CCCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821770867 606398785 /nfs/dbraw/zinc/39/87/85/606398785.db2.gz YTRISRWJPTWCHN-AWEZNQCLSA-N -1 3 394.431 3.533 20 0 GHADHM CN(C(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574605 606412765 /nfs/dbraw/zinc/41/27/65/606412765.db2.gz OGLJFOFHIRKGFX-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574605 606412766 /nfs/dbraw/zinc/41/27/66/606412766.db2.gz OGLJFOFHIRKGFX-UHFFFAOYSA-N -1 3 381.745 3.816 20 0 GHADHM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573268 606414676 /nfs/dbraw/zinc/41/46/76/606414676.db2.gz IPLZCHBXUFMUAP-UHFFFAOYSA-N -1 3 399.241 3.998 20 0 GHADHM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573268 606414678 /nfs/dbraw/zinc/41/46/78/606414678.db2.gz IPLZCHBXUFMUAP-UHFFFAOYSA-N -1 3 399.241 3.998 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000823103301 606487840 /nfs/dbraw/zinc/48/78/40/606487840.db2.gz DNDKYSZPQQERKV-UHFFFAOYSA-N -1 3 395.426 3.591 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000823103301 606487842 /nfs/dbraw/zinc/48/78/42/606487842.db2.gz DNDKYSZPQQERKV-UHFFFAOYSA-N -1 3 395.426 3.591 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820939876 606488618 /nfs/dbraw/zinc/48/86/18/606488618.db2.gz ZZIFHJLEDJIPBT-AWEZNQCLSA-N -1 3 383.477 3.521 20 0 GHADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820939876 606488619 /nfs/dbraw/zinc/48/86/19/606488619.db2.gz ZZIFHJLEDJIPBT-AWEZNQCLSA-N -1 3 383.477 3.521 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000820333401 606492967 /nfs/dbraw/zinc/49/29/67/606492967.db2.gz ARPFJSKPFMLXOG-MRXNPFEDSA-N -1 3 383.455 3.954 20 0 GHADHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000820333401 606492969 /nfs/dbraw/zinc/49/29/69/606492969.db2.gz ARPFJSKPFMLXOG-MRXNPFEDSA-N -1 3 383.455 3.954 20 0 GHADHM CCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C(F)(F)F)c1 ZINC000821422356 606498978 /nfs/dbraw/zinc/49/89/78/606498978.db2.gz VFAVXQKRSJRRKW-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C(F)(F)F)c1 ZINC000821422356 606498980 /nfs/dbraw/zinc/49/89/80/606498980.db2.gz VFAVXQKRSJRRKW-UHFFFAOYSA-N -1 3 383.355 3.598 20 0 GHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000820115881 606537692 /nfs/dbraw/zinc/53/76/92/606537692.db2.gz AMSVBICYPLTKEC-XQRVVYSFSA-N -1 3 379.439 3.846 20 0 GHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000820115881 606537694 /nfs/dbraw/zinc/53/76/94/606537694.db2.gz AMSVBICYPLTKEC-XQRVVYSFSA-N -1 3 379.439 3.846 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820938324 606539614 /nfs/dbraw/zinc/53/96/14/606539614.db2.gz IMFPTVYHEFSBFR-VQTJNVASSA-N -1 3 375.476 3.594 20 0 GHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820938324 606539615 /nfs/dbraw/zinc/53/96/15/606539615.db2.gz IMFPTVYHEFSBFR-VQTJNVASSA-N -1 3 375.476 3.594 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)n1 ZINC000820198509 606542282 /nfs/dbraw/zinc/54/22/82/606542282.db2.gz YRDGPBAKWSWNRR-LLVKDONJSA-N -1 3 388.522 3.528 20 0 GHADHM CC(C)c1csc([C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)n1 ZINC000820198509 606542283 /nfs/dbraw/zinc/54/22/83/606542283.db2.gz YRDGPBAKWSWNRR-LLVKDONJSA-N -1 3 388.522 3.528 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000820526055 606548519 /nfs/dbraw/zinc/54/85/19/606548519.db2.gz IAQZGAQQQAADKG-AWEZNQCLSA-N -1 3 395.463 3.588 20 0 GHADHM CC[C@H](c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1)c1ccccc1 ZINC000820944800 606554808 /nfs/dbraw/zinc/55/48/08/606554808.db2.gz OJKSEZMCOGAZNH-NSHDSACASA-N -1 3 397.489 3.574 20 0 GHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000823472448 606555139 /nfs/dbraw/zinc/55/51/39/606555139.db2.gz MRKKVGCACJCEFJ-NSHDSACASA-N -1 3 396.501 3.558 20 0 GHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000823472448 606555141 /nfs/dbraw/zinc/55/51/41/606555141.db2.gz MRKKVGCACJCEFJ-NSHDSACASA-N -1 3 396.501 3.558 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822289251 606566107 /nfs/dbraw/zinc/56/61/07/606566107.db2.gz VGMWFXFEMJBXPV-LBPRGKRZSA-N -1 3 399.476 3.544 20 0 GHADHM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822289251 606566109 /nfs/dbraw/zinc/56/61/09/606566109.db2.gz VGMWFXFEMJBXPV-LBPRGKRZSA-N -1 3 399.476 3.544 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299508 606566991 /nfs/dbraw/zinc/56/69/91/606566991.db2.gz LETXYOHEZFWYSR-HXUWFJFHSA-N -1 3 375.476 3.862 20 0 GHADHM Cc1cccc([C@H]2CCCCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299508 606566993 /nfs/dbraw/zinc/56/69/93/606566993.db2.gz LETXYOHEZFWYSR-HXUWFJFHSA-N -1 3 375.476 3.862 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C)cc1 ZINC000821702909 606576621 /nfs/dbraw/zinc/57/66/21/606576621.db2.gz GSTOIFDDEMEIFF-ZDUSSCGKSA-N -1 3 394.435 3.684 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C)cc1 ZINC000821702909 606576624 /nfs/dbraw/zinc/57/66/24/606576624.db2.gz GSTOIFDDEMEIFF-ZDUSSCGKSA-N -1 3 394.435 3.684 20 0 GHADHM CC(C)n1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000820214690 606598523 /nfs/dbraw/zinc/59/85/23/606598523.db2.gz MSHHYBODRFZPRM-UHFFFAOYSA-N -1 3 380.424 3.679 20 0 GHADHM CC(C)n1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000820214690 606598525 /nfs/dbraw/zinc/59/85/25/606598525.db2.gz MSHHYBODRFZPRM-UHFFFAOYSA-N -1 3 380.424 3.679 20 0 GHADHM Cc1nc(C)c(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)s1 ZINC000822431824 606598865 /nfs/dbraw/zinc/59/88/65/606598865.db2.gz LGAAIFJRULFLFM-UHFFFAOYSA-N -1 3 383.449 3.975 20 0 GHADHM Cc1nc(C)c(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000822431824 606598866 /nfs/dbraw/zinc/59/88/66/606598866.db2.gz LGAAIFJRULFLFM-UHFFFAOYSA-N -1 3 383.449 3.975 20 0 GHADHM Cc1cccc([C@@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)(C)C)c1 ZINC000822289442 606600334 /nfs/dbraw/zinc/60/03/34/606600334.db2.gz XDNCRMCLPMSQLD-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM Cc1cccc([C@@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)(C)C)c1 ZINC000822289442 606600337 /nfs/dbraw/zinc/60/03/37/606600337.db2.gz XDNCRMCLPMSQLD-GOSISDBHSA-N -1 3 378.480 3.762 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2c1 ZINC000819854947 606601428 /nfs/dbraw/zinc/60/14/28/606601428.db2.gz DMSFEHCRQGVVRS-CYBMUJFWSA-N -1 3 375.407 3.926 20 0 GHADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2c1 ZINC000819854947 606601430 /nfs/dbraw/zinc/60/14/30/606601430.db2.gz DMSFEHCRQGVVRS-CYBMUJFWSA-N -1 3 375.407 3.926 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819765056 606601440 /nfs/dbraw/zinc/60/14/40/606601440.db2.gz MQAORHDIIQOWCR-HHQWOOOKSA-N -1 3 399.401 3.749 20 0 GHADHM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819765056 606601445 /nfs/dbraw/zinc/60/14/45/606601445.db2.gz MQAORHDIIQOWCR-HHQWOOOKSA-N -1 3 399.401 3.749 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000820675080 606619215 /nfs/dbraw/zinc/61/92/15/606619215.db2.gz HRJOGSHKYGQGHL-IGVUGNCQSA-N -1 3 379.386 3.504 20 0 GHADHM C[C@H]1CC/C(=C\C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000820675080 606619216 /nfs/dbraw/zinc/61/92/16/606619216.db2.gz HRJOGSHKYGQGHL-IGVUGNCQSA-N -1 3 379.386 3.504 20 0 GHADHM Fc1ccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c(F)c1 ZINC000822771182 606633023 /nfs/dbraw/zinc/63/30/23/606633023.db2.gz DMUXMSLVUIFLMR-UHFFFAOYSA-N -1 3 380.358 3.944 20 0 GHADHM Cc1cccc(C(C)C)c1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822289194 606638690 /nfs/dbraw/zinc/63/86/90/606638690.db2.gz UKDHOLKSIAZFJD-HNNXBMFYSA-N -1 3 382.493 3.577 20 0 GHADHM Cc1cccc(C(C)C)c1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822289194 606638691 /nfs/dbraw/zinc/63/86/91/606638691.db2.gz UKDHOLKSIAZFJD-HNNXBMFYSA-N -1 3 382.493 3.577 20 0 GHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000820534650 606646650 /nfs/dbraw/zinc/64/66/50/606646650.db2.gz MLXGNVPEQCKNPB-NSHDSACASA-N -1 3 397.822 3.512 20 0 GHADHM COc1ccc2ccc(OC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2c1 ZINC000821854545 606663043 /nfs/dbraw/zinc/66/30/43/606663043.db2.gz MNNQFAIQWXJVGC-UHFFFAOYSA-N -1 3 382.326 3.526 20 0 GHADHM COc1ccc2ccc(OC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc2c1 ZINC000821854545 606663044 /nfs/dbraw/zinc/66/30/44/606663044.db2.gz MNNQFAIQWXJVGC-UHFFFAOYSA-N -1 3 382.326 3.526 20 0 GHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823387507 606665040 /nfs/dbraw/zinc/66/50/40/606665040.db2.gz NDSJOOXUYSKGCK-ZFWWWQNUSA-N -1 3 379.489 3.624 20 0 GHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823387507 606665041 /nfs/dbraw/zinc/66/50/41/606665041.db2.gz NDSJOOXUYSKGCK-ZFWWWQNUSA-N -1 3 379.489 3.624 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000821681500 606671201 /nfs/dbraw/zinc/67/12/01/606671201.db2.gz MGCRRWSSAQWXDP-AWEZNQCLSA-N -1 3 397.454 3.520 20 0 GHADHM COC[C@@H](C)CC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000821681500 606671202 /nfs/dbraw/zinc/67/12/02/606671202.db2.gz MGCRRWSSAQWXDP-AWEZNQCLSA-N -1 3 397.454 3.520 20 0 GHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C[C@@H]1CCCCO1 ZINC000822211622 606673874 /nfs/dbraw/zinc/67/38/74/606673874.db2.gz HZSGFDKIHCUXJT-KRWDZBQOSA-N -1 3 393.447 3.865 20 0 GHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C[C@@H]1CCCCO1 ZINC000822211622 606673875 /nfs/dbraw/zinc/67/38/75/606673875.db2.gz HZSGFDKIHCUXJT-KRWDZBQOSA-N -1 3 393.447 3.865 20 0 GHADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(Cc1ccccc1)CC1CCC1 ZINC000823454066 606674976 /nfs/dbraw/zinc/67/49/76/606674976.db2.gz KTOHKBRMSDQOPX-UHFFFAOYSA-N -1 3 383.402 3.587 20 0 GHADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(Cc1ccccc1)CC1CCC1 ZINC000823454066 606674977 /nfs/dbraw/zinc/67/49/77/606674977.db2.gz KTOHKBRMSDQOPX-UHFFFAOYSA-N -1 3 383.402 3.587 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820912970 606682581 /nfs/dbraw/zinc/68/25/81/606682581.db2.gz AWABLGSNGJHMAA-MRXNPFEDSA-N -1 3 399.445 3.937 20 0 GHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820912970 606682582 /nfs/dbraw/zinc/68/25/82/606682582.db2.gz AWABLGSNGJHMAA-MRXNPFEDSA-N -1 3 399.445 3.937 20 0 GHADHM Cc1cccc([C@H](NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C(C)(C)C)c1 ZINC000822288851 606685920 /nfs/dbraw/zinc/68/59/20/606685920.db2.gz LFCCPJVECGVSQW-KRWDZBQOSA-N -1 3 385.418 3.971 20 0 GHADHM Cc1cccc([C@H](NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(C)(C)C)c1 ZINC000822288851 606685921 /nfs/dbraw/zinc/68/59/21/606685921.db2.gz LFCCPJVECGVSQW-KRWDZBQOSA-N -1 3 385.418 3.971 20 0 GHADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823092468 606693859 /nfs/dbraw/zinc/69/38/59/606693859.db2.gz FPVBMOIDOBEMLX-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000823092468 606693860 /nfs/dbraw/zinc/69/38/60/606693860.db2.gz FPVBMOIDOBEMLX-HXUWFJFHSA-N -1 3 379.439 3.596 20 0 GHADHM Clc1cccc([C@@H](NCc2ccc(-c3nnn[n-]3)s2)c2ccccn2)c1 ZINC000822585603 606742746 /nfs/dbraw/zinc/74/27/46/606742746.db2.gz GTWGWICDFOSGEK-QGZVFWFLSA-N -1 3 382.880 3.856 20 0 GHADHM Clc1cccc([C@@H](NCc2ccc(-c3nn[n-]n3)s2)c2ccccn2)c1 ZINC000822585603 606742748 /nfs/dbraw/zinc/74/27/48/606742748.db2.gz GTWGWICDFOSGEK-QGZVFWFLSA-N -1 3 382.880 3.856 20 0 GHADHM COc1cccc(C=C2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000821864191 606753929 /nfs/dbraw/zinc/75/39/29/606753929.db2.gz UWTZPFMWEFUOOS-UHFFFAOYSA-N -1 3 379.439 3.694 20 0 GHADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)N(C)C(C)C ZINC000822212025 606770831 /nfs/dbraw/zinc/77/08/31/606770831.db2.gz ZBWBAAPLXNPBOS-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)N(C)C(C)C ZINC000822212025 606770832 /nfs/dbraw/zinc/77/08/32/606770832.db2.gz ZBWBAAPLXNPBOS-UHFFFAOYSA-N -1 3 380.452 3.626 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820183616 606771336 /nfs/dbraw/zinc/77/13/36/606771336.db2.gz HFVAXXVPNNYWLO-UHFFFAOYSA-N -1 3 386.456 3.828 20 0 GHADHM CC(C)Sc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820183616 606771338 /nfs/dbraw/zinc/77/13/38/606771338.db2.gz HFVAXXVPNNYWLO-UHFFFAOYSA-N -1 3 386.456 3.828 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823350378 606772959 /nfs/dbraw/zinc/77/29/59/606772959.db2.gz KZAUREJFSPIHHS-KDOFPFPSSA-N -1 3 376.420 3.675 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000823350378 606772960 /nfs/dbraw/zinc/77/29/60/606772960.db2.gz KZAUREJFSPIHHS-KDOFPFPSSA-N -1 3 376.420 3.675 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)c2nccs2)cc1 ZINC000822135884 606792627 /nfs/dbraw/zinc/79/26/27/606792627.db2.gz GLFLLWPBUUGSJT-UHFFFAOYSA-N -1 3 392.444 3.701 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)c2cccnc2)cc1 ZINC000822135521 606793003 /nfs/dbraw/zinc/79/30/03/606793003.db2.gz DCWOTQSSVXANOD-UHFFFAOYSA-N -1 3 386.415 3.639 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)O1 ZINC000820971746 606795992 /nfs/dbraw/zinc/79/59/92/606795992.db2.gz FOBVZXFLBSDUME-ACJLOTCBSA-N -1 3 397.410 3.694 20 0 GHADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)O1 ZINC000820971746 606795993 /nfs/dbraw/zinc/79/59/93/606795993.db2.gz FOBVZXFLBSDUME-ACJLOTCBSA-N -1 3 397.410 3.694 20 0 GHADHM Fc1ccccc1C=C1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000822796774 606802480 /nfs/dbraw/zinc/80/24/80/606802480.db2.gz YJDSDBSMJHMJLK-UHFFFAOYSA-N -1 3 376.439 3.573 20 0 GHADHM Fc1ccccc1C=C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000822796774 606802482 /nfs/dbraw/zinc/80/24/82/606802482.db2.gz YJDSDBSMJHMJLK-UHFFFAOYSA-N -1 3 376.439 3.573 20 0 GHADHM O=C(NC[C@H]1CCCS1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823176721 606810020 /nfs/dbraw/zinc/81/00/20/606810020.db2.gz XPAXICJJPYKKPO-OAHLLOKOSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(NC[C@H]1CCCS1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823176721 606810022 /nfs/dbraw/zinc/81/00/22/606810022.db2.gz XPAXICJJPYKKPO-OAHLLOKOSA-N -1 3 397.529 3.643 20 0 GHADHM O=C(c1cccc(-c2nnn[n-]2)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823488918 606812935 /nfs/dbraw/zinc/81/29/35/606812935.db2.gz YLIRXJRYWGBXIG-UHFFFAOYSA-N -1 3 379.439 3.633 20 0 GHADHM O=C(c1cccc(-c2nn[n-]n2)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823488918 606812937 /nfs/dbraw/zinc/81/29/37/606812937.db2.gz YLIRXJRYWGBXIG-UHFFFAOYSA-N -1 3 379.439 3.633 20 0 GHADHM Cc1ccccc1-c1csc(=O)n1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822344838 606839353 /nfs/dbraw/zinc/83/93/53/606839353.db2.gz BBJSDOVTXOGTPI-UHFFFAOYSA-N -1 3 393.472 3.534 20 0 GHADHM Cc1ccccc1-c1csc(=O)n1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822344838 606839355 /nfs/dbraw/zinc/83/93/55/606839355.db2.gz BBJSDOVTXOGTPI-UHFFFAOYSA-N -1 3 393.472 3.534 20 0 GHADHM c1csc(-c2nnc(SCCCOc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823761937 606866334 /nfs/dbraw/zinc/86/63/34/606866334.db2.gz BDBHMRLIBPRWGA-UHFFFAOYSA-N -1 3 386.462 3.539 20 0 GHADHM c1csc(-c2nnc(SCCCOc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823761937 606866336 /nfs/dbraw/zinc/86/63/36/606866336.db2.gz BDBHMRLIBPRWGA-UHFFFAOYSA-N -1 3 386.462 3.539 20 0 GHADHM COC(=O)Cc1cccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000821663581 606866843 /nfs/dbraw/zinc/86/68/43/606866843.db2.gz FBPBBOSCMZYXAI-UHFFFAOYSA-N -1 3 399.454 3.861 20 0 GHADHM COC(=O)Cc1cccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000821663581 606866845 /nfs/dbraw/zinc/86/68/45/606866845.db2.gz FBPBBOSCMZYXAI-UHFFFAOYSA-N -1 3 399.454 3.861 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000822202023 606867679 /nfs/dbraw/zinc/86/76/79/606867679.db2.gz HPBXRHNYCXYDRZ-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000822202023 606867681 /nfs/dbraw/zinc/86/76/81/606867681.db2.gz HPBXRHNYCXYDRZ-UHFFFAOYSA-N -1 3 383.280 3.724 20 0 GHADHM CC(C)CN(C(=O)COC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081632 606871762 /nfs/dbraw/zinc/87/17/62/606871762.db2.gz OQLPBELXFOHXQK-TWGQIWQCSA-N -1 3 391.475 3.586 20 0 GHADHM CC(C)CN(C(=O)COC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081632 606871764 /nfs/dbraw/zinc/87/17/64/606871764.db2.gz OQLPBELXFOHXQK-TWGQIWQCSA-N -1 3 391.475 3.586 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCc2csc(-c3ccco3)n2)n1 ZINC000822723510 606880785 /nfs/dbraw/zinc/88/07/85/606880785.db2.gz HCEIMRNPWDIEGF-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCc2csc(-c3ccco3)n2)n1 ZINC000822723510 606880786 /nfs/dbraw/zinc/88/07/86/606880786.db2.gz HCEIMRNPWDIEGF-UHFFFAOYSA-N -1 3 393.354 3.609 20 0 GHADHM Cc1c(NCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1OCC(F)(F)F ZINC000822121870 606929579 /nfs/dbraw/zinc/92/95/79/606929579.db2.gz HTOCJTSOFHORJF-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM Cc1c(NCc2ccc(F)c(-c3nn[n-]n3)c2)cccc1OCC(F)(F)F ZINC000822121870 606929580 /nfs/dbraw/zinc/92/95/80/606929580.db2.gz HTOCJTSOFHORJF-UHFFFAOYSA-N -1 3 381.333 3.867 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819928201 606930432 /nfs/dbraw/zinc/93/04/32/606930432.db2.gz JVDCMIQPTMZBED-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819928201 606930433 /nfs/dbraw/zinc/93/04/33/606930433.db2.gz JVDCMIQPTMZBED-UHFFFAOYSA-N -1 3 383.427 3.502 20 0 GHADHM FC(F)(F)c1ccc(NC[C@@H]2OCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC000822728775 606940992 /nfs/dbraw/zinc/94/09/92/606940992.db2.gz MPHUDLUDXOAAFL-ZDUSSCGKSA-N -1 3 381.383 3.673 20 0 GHADHM FC(F)(F)c1ccc(NC[C@@H]2OCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC000822728775 606940994 /nfs/dbraw/zinc/94/09/94/606940994.db2.gz MPHUDLUDXOAAFL-ZDUSSCGKSA-N -1 3 381.383 3.673 20 0 GHADHM CSC=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000821956202 606957938 /nfs/dbraw/zinc/95/79/38/606957938.db2.gz JMNJFAMTDLCKBY-JARNTUPDSA-N -1 3 377.539 3.894 20 0 GHADHM CS/C=C/C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000821956202 606957940 /nfs/dbraw/zinc/95/79/40/606957940.db2.gz JMNJFAMTDLCKBY-JARNTUPDSA-N -1 3 377.539 3.894 20 0 GHADHM Cc1cccc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1C ZINC000822327681 606959737 /nfs/dbraw/zinc/95/97/37/606959737.db2.gz JDDHFCGHPSWPGD-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM Cc1cccc(OCCC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1C ZINC000822327681 606959739 /nfs/dbraw/zinc/95/97/39/606959739.db2.gz JDDHFCGHPSWPGD-UHFFFAOYSA-N -1 3 385.855 3.569 20 0 GHADHM COc1cccc2cc(C(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)oc21 ZINC000821877717 606959806 /nfs/dbraw/zinc/95/98/06/606959806.db2.gz RKPFVSFISBFVHB-UHFFFAOYSA-N -1 3 383.795 3.552 20 0 GHADHM COc1cccc2cc(C(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)oc21 ZINC000821877717 606959808 /nfs/dbraw/zinc/95/98/08/606959808.db2.gz RKPFVSFISBFVHB-UHFFFAOYSA-N -1 3 383.795 3.552 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820252462 606961960 /nfs/dbraw/zinc/96/19/60/606961960.db2.gz ARHOTJTZNWYDNF-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@H](CCc1ccccc1F)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820252462 606961962 /nfs/dbraw/zinc/96/19/62/606961962.db2.gz ARHOTJTZNWYDNF-GFCCVEGCSA-N -1 3 387.846 3.891 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N(C)Cc3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000822214253 606962056 /nfs/dbraw/zinc/96/20/56/606962056.db2.gz WPBIUZYVDCRJCS-HNNXBMFYSA-N -1 3 389.463 3.727 20 0 GHADHM Cc1ccc(-c2nnc([C@H](C)N(C)Cc3ccc(-c4nn[n-]n4)cc3)o2)cc1C ZINC000822214253 606962058 /nfs/dbraw/zinc/96/20/58/606962058.db2.gz WPBIUZYVDCRJCS-HNNXBMFYSA-N -1 3 389.463 3.727 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820252464 606962329 /nfs/dbraw/zinc/96/23/29/606962329.db2.gz ARHOTJTZNWYDNF-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820252464 606962330 /nfs/dbraw/zinc/96/23/30/606962330.db2.gz ARHOTJTZNWYDNF-LBPRGKRZSA-N -1 3 387.846 3.891 20 0 GHADHM CC(C)c1ccccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820198492 606962431 /nfs/dbraw/zinc/96/24/31/606962431.db2.gz YDLKHDGHXYMIOR-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CC(C)c1ccccc1OCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820198492 606962432 /nfs/dbraw/zinc/96/24/32/606962432.db2.gz YDLKHDGHXYMIOR-UHFFFAOYSA-N -1 3 385.855 3.685 20 0 GHADHM CN(C(=O)c1cc(-c2ccccc2F)on1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572078 606962988 /nfs/dbraw/zinc/96/29/88/606962988.db2.gz QKXMCYIADPAKSR-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM CN(C(=O)c1cc(-c2ccccc2F)on1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572078 606962990 /nfs/dbraw/zinc/96/29/90/606962990.db2.gz QKXMCYIADPAKSR-UHFFFAOYSA-N -1 3 398.785 3.591 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N(C)c3cc(Cl)ccc3-c3nnn[n-]3)c21 ZINC000822332423 606963260 /nfs/dbraw/zinc/96/32/60/606963260.db2.gz PRCICSZWBOAUPO-UHFFFAOYSA-N -1 3 380.839 3.515 20 0 GHADHM Cc1cccc2[nH]cc(CC(=O)N(C)c3cc(Cl)ccc3-c3nn[n-]n3)c21 ZINC000822332423 606963261 /nfs/dbraw/zinc/96/32/61/606963261.db2.gz PRCICSZWBOAUPO-UHFFFAOYSA-N -1 3 380.839 3.515 20 0 GHADHM CN(C(=O)c1ccc(OCC2CC2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574302 606964873 /nfs/dbraw/zinc/96/48/73/606964873.db2.gz ALFZENYMYBYTHN-UHFFFAOYSA-N -1 3 383.839 3.586 20 0 GHADHM CN(C(=O)c1ccc(OCC2CC2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574302 606964874 /nfs/dbraw/zinc/96/48/74/606964874.db2.gz ALFZENYMYBYTHN-UHFFFAOYSA-N -1 3 383.839 3.586 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823333165 606967331 /nfs/dbraw/zinc/96/73/31/606967331.db2.gz ZCTIXGNYKOIYHQ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM O=C(Nc1ccc(Cl)cc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823333165 606967333 /nfs/dbraw/zinc/96/73/33/606967333.db2.gz ZCTIXGNYKOIYHQ-UHFFFAOYSA-N -1 3 384.646 3.596 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820534183 606970270 /nfs/dbraw/zinc/97/02/70/606970270.db2.gz JRHHIEOQRCBQOL-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820534183 606970272 /nfs/dbraw/zinc/97/02/72/606970272.db2.gz JRHHIEOQRCBQOL-SNVBAGLBSA-N -1 3 392.246 3.604 20 0 GHADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000820001717 606976449 /nfs/dbraw/zinc/97/64/49/606976449.db2.gz ZXJFYFUAIXGLPN-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000820001717 606976450 /nfs/dbraw/zinc/97/64/50/606976450.db2.gz ZXJFYFUAIXGLPN-UHFFFAOYSA-N -1 3 391.353 3.682 20 0 GHADHM Cc1cc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)ccc1F ZINC000822151415 606982913 /nfs/dbraw/zinc/98/29/13/606982913.db2.gz BELOOTYORNYIJH-UHFFFAOYSA-N -1 3 386.774 3.597 20 0 GHADHM Cc1cc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)ccc1F ZINC000822151415 606982914 /nfs/dbraw/zinc/98/29/14/606982914.db2.gz BELOOTYORNYIJH-UHFFFAOYSA-N -1 3 386.774 3.597 20 0 GHADHM CCS[C@@H](C)c1noc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000821448321 606985215 /nfs/dbraw/zinc/98/52/15/606985215.db2.gz NFPPSXMALLIXTM-QMMMGPOBSA-N -1 3 399.402 3.695 20 0 GHADHM CCS[C@@H](C)c1noc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000821448321 606985217 /nfs/dbraw/zinc/98/52/17/606985217.db2.gz NFPPSXMALLIXTM-QMMMGPOBSA-N -1 3 399.402 3.695 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823422418 606999007 /nfs/dbraw/zinc/99/90/07/606999007.db2.gz UWCLBHSPBJKTGB-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000823422418 606999008 /nfs/dbraw/zinc/99/90/08/606999008.db2.gz UWCLBHSPBJKTGB-IBGZPJMESA-N -1 3 396.422 3.750 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1cccc(C)c1 ZINC000821565305 607006731 /nfs/dbraw/zinc/00/67/31/607006731.db2.gz NFIOYGAMEPYJPF-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1cccc(C)c1 ZINC000821565305 607006733 /nfs/dbraw/zinc/00/67/33/607006733.db2.gz NFIOYGAMEPYJPF-UHFFFAOYSA-N -1 3 395.467 3.885 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823309254 607011304 /nfs/dbraw/zinc/01/13/04/607011304.db2.gz VGZOJOMCWWOGEC-KRWDZBQOSA-N -1 3 390.447 3.825 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823309254 607011305 /nfs/dbraw/zinc/01/13/05/607011305.db2.gz VGZOJOMCWWOGEC-KRWDZBQOSA-N -1 3 390.447 3.825 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000820717980 607011447 /nfs/dbraw/zinc/01/14/47/607011447.db2.gz ZMBCWIJEFOAGKK-ZDUSSCGKSA-N -1 3 397.529 3.876 20 0 GHADHM C[C@H]1CCN(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000820717980 607011449 /nfs/dbraw/zinc/01/14/49/607011449.db2.gz ZMBCWIJEFOAGKK-ZDUSSCGKSA-N -1 3 397.529 3.876 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822596916 607066215 /nfs/dbraw/zinc/06/62/15/607066215.db2.gz YYTFUIJCJMNQOC-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822596916 607066216 /nfs/dbraw/zinc/06/62/16/607066216.db2.gz YYTFUIJCJMNQOC-LJQANCHMSA-N -1 3 391.454 3.620 20 0 GHADHM CN(Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821613209 607068320 /nfs/dbraw/zinc/06/83/20/607068320.db2.gz CAODVIPRUJSREW-UHFFFAOYSA-N -1 3 388.353 3.659 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820819256 607087512 /nfs/dbraw/zinc/08/75/12/607087512.db2.gz GTRITHMFWFQZPP-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820819256 607087513 /nfs/dbraw/zinc/08/75/13/607087513.db2.gz GTRITHMFWFQZPP-QMMMGPOBSA-N -1 3 394.287 3.995 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000820479984 607117928 /nfs/dbraw/zinc/11/79/28/607117928.db2.gz DZPKSGZINPAMHW-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000820479984 607117931 /nfs/dbraw/zinc/11/79/31/607117931.db2.gz DZPKSGZINPAMHW-NSHDSACASA-N -1 3 388.374 3.607 20 0 GHADHM Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CCOC4(CCCC4)C3)c2c1 ZINC000822753089 607129906 /nfs/dbraw/zinc/12/99/06/607129906.db2.gz CQSMWWZLDDIYMH-GFCCVEGCSA-N -1 3 386.406 3.597 20 0 GHADHM Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CCOC4(CCCC4)C3)c2c1 ZINC000822753089 607129907 /nfs/dbraw/zinc/12/99/07/607129907.db2.gz CQSMWWZLDDIYMH-GFCCVEGCSA-N -1 3 386.406 3.597 20 0 GHADHM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1sccc1-c1nnn[n-]1 ZINC000823139464 607133576 /nfs/dbraw/zinc/13/35/76/607133576.db2.gz FLBMOJRJDGDOIS-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1sccc1-c1nn[n-]n1 ZINC000823139464 607133578 /nfs/dbraw/zinc/13/35/78/607133578.db2.gz FLBMOJRJDGDOIS-UHFFFAOYSA-N -1 3 380.260 3.654 20 0 GHADHM CCc1c(C)sc(NC(=O)C=CSCc2ccco2)c1-c1nn[n-]n1 ZINC000821465317 607144322 /nfs/dbraw/zinc/14/43/22/607144322.db2.gz FSKWZZNFHUHUKS-VURMDHGXSA-N -1 3 375.479 3.778 20 0 GHADHM CCc1c(C)sc(NC(=O)/C=C\SCc2ccco2)c1-c1nn[n-]n1 ZINC000821465317 607144324 /nfs/dbraw/zinc/14/43/24/607144324.db2.gz FSKWZZNFHUHUKS-VURMDHGXSA-N -1 3 375.479 3.778 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397522 607145527 /nfs/dbraw/zinc/14/55/27/607145527.db2.gz POCXHNQUGTWUCT-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397522 607145528 /nfs/dbraw/zinc/14/55/28/607145528.db2.gz POCXHNQUGTWUCT-VIFPVBQESA-N -1 3 379.317 3.516 20 0 GHADHM FC(F)(F)c1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822729220 607168136 /nfs/dbraw/zinc/16/81/36/607168136.db2.gz WMLFWBQHFSNLDE-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM FC(F)(F)c1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822729220 607168141 /nfs/dbraw/zinc/16/81/41/607168141.db2.gz WMLFWBQHFSNLDE-UHFFFAOYSA-N -1 3 387.325 3.548 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)SCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000821765555 607172209 /nfs/dbraw/zinc/17/22/09/607172209.db2.gz FYEFGEIYFNKNAX-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM COc1ccc(-c2noc([C@@H](C)SCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000821765555 607172210 /nfs/dbraw/zinc/17/22/10/607172210.db2.gz FYEFGEIYFNKNAX-GFCCVEGCSA-N -1 3 394.460 3.920 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822284095 607177518 /nfs/dbraw/zinc/17/75/18/607177518.db2.gz JKDLWZKRHFCGNI-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822284095 607177519 /nfs/dbraw/zinc/17/75/19/607177519.db2.gz JKDLWZKRHFCGNI-HNNXBMFYSA-N -1 3 384.443 3.728 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821982815 607189216 /nfs/dbraw/zinc/18/92/16/607189216.db2.gz BDMWPFMKBINDRB-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821982815 607189217 /nfs/dbraw/zinc/18/92/17/607189217.db2.gz BDMWPFMKBINDRB-SNVBAGLBSA-N -1 3 389.868 3.648 20 0 GHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccccc1Cn1cccn1 ZINC000822723437 607226863 /nfs/dbraw/zinc/22/68/63/607226863.db2.gz DWRJRUGUKPDDOP-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1ccccc1Cn1cccn1 ZINC000822723437 607226864 /nfs/dbraw/zinc/22/68/64/607226864.db2.gz DWRJRUGUKPDDOP-UHFFFAOYSA-N -1 3 399.380 3.742 20 0 GHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)c(Br)c1 ZINC000823319629 607242814 /nfs/dbraw/zinc/24/28/14/607242814.db2.gz WIITYKVHMHXISX-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)c(Br)c1 ZINC000823319629 607242815 /nfs/dbraw/zinc/24/28/15/607242815.db2.gz WIITYKVHMHXISX-UHFFFAOYSA-N -1 3 396.607 3.674 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820534635 607244286 /nfs/dbraw/zinc/24/42/86/607244286.db2.gz LYZGAVQYKKPFKC-MRVPVSSYSA-N -1 3 397.193 3.686 20 0 GHADHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820534635 607244287 /nfs/dbraw/zinc/24/42/87/607244287.db2.gz LYZGAVQYKKPFKC-MRVPVSSYSA-N -1 3 397.193 3.686 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823071054 607246453 /nfs/dbraw/zinc/24/64/53/607246453.db2.gz YZGMCJKPHABQGZ-UHFFFAOYSA-N -1 3 380.404 3.857 20 0 GHADHM O=C(CSc1ccc2ccccc2c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823071054 607246454 /nfs/dbraw/zinc/24/64/54/607246454.db2.gz YZGMCJKPHABQGZ-UHFFFAOYSA-N -1 3 380.404 3.857 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824806914 607774289 /nfs/dbraw/zinc/77/42/89/607774289.db2.gz FEFZUXVXIYGOSJ-HXUWFJFHSA-N -1 3 375.476 3.629 20 0 GHADHM CC1(C)CCc2ccccc2[C@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824806914 607774290 /nfs/dbraw/zinc/77/42/90/607774290.db2.gz FEFZUXVXIYGOSJ-HXUWFJFHSA-N -1 3 375.476 3.629 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000825687660 607785313 /nfs/dbraw/zinc/78/53/13/607785313.db2.gz LBQGJOZRJDZLNB-UHFFFAOYSA-N -1 3 377.420 3.649 20 0 GHADHM CCc1c(C)sc(NC(=O)CCc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000825687660 607785314 /nfs/dbraw/zinc/78/53/14/607785314.db2.gz LBQGJOZRJDZLNB-UHFFFAOYSA-N -1 3 377.420 3.649 20 0 GHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Br)c1 ZINC000318449779 607792640 /nfs/dbraw/zinc/79/26/40/607792640.db2.gz ULVCDSXWKDDBRD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Br)c1 ZINC000318449779 607792641 /nfs/dbraw/zinc/79/26/41/607792641.db2.gz ULVCDSXWKDDBRD-UHFFFAOYSA-N -1 3 378.617 3.535 20 0 GHADHM CCN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367179 607798177 /nfs/dbraw/zinc/79/81/77/607798177.db2.gz KJLBNZBIPWNABD-UHFFFAOYSA-N -1 3 377.782 3.665 20 0 GHADHM CCN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367179 607798178 /nfs/dbraw/zinc/79/81/78/607798178.db2.gz KJLBNZBIPWNABD-UHFFFAOYSA-N -1 3 377.782 3.665 20 0 GHADHM CCN(C(=O)c1cc(C(C)C)nc2onc(C)c21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379265 607799376 /nfs/dbraw/zinc/79/93/76/607799376.db2.gz FKAMZAPIEOVEHP-UHFFFAOYSA-N -1 3 391.435 3.501 20 0 GHADHM CCN(C(=O)c1cc(C(C)C)nc2onc(C)c21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379265 607799377 /nfs/dbraw/zinc/79/93/77/607799377.db2.gz FKAMZAPIEOVEHP-UHFFFAOYSA-N -1 3 391.435 3.501 20 0 GHADHM CCOC(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(C)C)c(C)s1 ZINC000825486090 607812996 /nfs/dbraw/zinc/81/29/96/607812996.db2.gz NFGHEYHSPNGWCG-GDNBJRDFSA-N -1 3 383.477 3.859 20 0 GHADHM CCOC(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(C)C)c(C)s1 ZINC000825486090 607812997 /nfs/dbraw/zinc/81/29/97/607812997.db2.gz NFGHEYHSPNGWCG-GDNBJRDFSA-N -1 3 383.477 3.859 20 0 GHADHM C[C@H]1CSc2ccccc2N(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000825012240 607831590 /nfs/dbraw/zinc/83/15/90/607831590.db2.gz FKVZTTIAPTUWJG-SNVBAGLBSA-N -1 3 387.415 3.534 20 0 GHADHM C[C@H]1CSc2ccccc2N(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000825012240 607831591 /nfs/dbraw/zinc/83/15/91/607831591.db2.gz FKVZTTIAPTUWJG-SNVBAGLBSA-N -1 3 387.415 3.534 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825195772 607844381 /nfs/dbraw/zinc/84/43/81/607844381.db2.gz YUEZZLVKBBTQFI-DGCLKSJQSA-N -1 3 379.917 3.792 20 0 GHADHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825195772 607844382 /nfs/dbraw/zinc/84/43/82/607844382.db2.gz YUEZZLVKBBTQFI-DGCLKSJQSA-N -1 3 379.917 3.792 20 0 GHADHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)[C@H]1COc2ccccc21 ZINC000824650600 607850079 /nfs/dbraw/zinc/85/00/79/607850079.db2.gz SLEZSIZKZQLYHG-ZUZCIYMTSA-N -1 3 394.385 3.670 20 0 GHADHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[C@H]1COc2ccccc21 ZINC000824650600 607850080 /nfs/dbraw/zinc/85/00/80/607850080.db2.gz SLEZSIZKZQLYHG-ZUZCIYMTSA-N -1 3 394.385 3.670 20 0 GHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(-c2ccccn2)ccc1Cl ZINC000826457184 607861993 /nfs/dbraw/zinc/86/19/93/607861993.db2.gz PHITVXUETKLQSA-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(-c2ccccn2)ccc1Cl ZINC000826457184 607861994 /nfs/dbraw/zinc/86/19/94/607861994.db2.gz PHITVXUETKLQSA-UHFFFAOYSA-N -1 3 376.807 3.834 20 0 GHADHM O[C@H](COc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826504964 607869724 /nfs/dbraw/zinc/86/97/24/607869724.db2.gz JBNDUOIQGQAKPY-OAQYLSRUSA-N -1 3 388.427 3.558 20 0 GHADHM O[C@H](COc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826504964 607869725 /nfs/dbraw/zinc/86/97/25/607869725.db2.gz JBNDUOIQGQAKPY-OAQYLSRUSA-N -1 3 388.427 3.558 20 0 GHADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc12 ZINC000826304793 607915667 /nfs/dbraw/zinc/91/56/67/607915667.db2.gz YLTWOJRZYXZFPR-JYRVWZFOSA-N -1 3 382.786 3.700 20 0 GHADHM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc12 ZINC000826304793 607915668 /nfs/dbraw/zinc/91/56/68/607915668.db2.gz YLTWOJRZYXZFPR-JYRVWZFOSA-N -1 3 382.786 3.700 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCC1 ZINC000824505698 607918782 /nfs/dbraw/zinc/91/87/82/607918782.db2.gz HKNJAGQVLNTIDT-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCC1 ZINC000824505698 607918783 /nfs/dbraw/zinc/91/87/83/607918783.db2.gz HKNJAGQVLNTIDT-CYBMUJFWSA-N -1 3 378.436 3.969 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000824803916 607919670 /nfs/dbraw/zinc/91/96/70/607919670.db2.gz YVSPSAQLRPQQLD-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM CC1(C)CCC[C@@H](CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000824803916 607919671 /nfs/dbraw/zinc/91/96/71/607919671.db2.gz YVSPSAQLRPQQLD-ZDUSSCGKSA-N -1 3 396.451 3.566 20 0 GHADHM O=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826471313 607948541 /nfs/dbraw/zinc/94/85/41/607948541.db2.gz VGLVNSPLNWXSTA-UHFFFAOYSA-N -1 3 391.818 3.983 20 0 GHADHM O=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826471313 607948542 /nfs/dbraw/zinc/94/85/42/607948542.db2.gz VGLVNSPLNWXSTA-UHFFFAOYSA-N -1 3 391.818 3.983 20 0 GHADHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C1(c2cccc(Cl)c2)CCC1 ZINC000826426903 607951948 /nfs/dbraw/zinc/95/19/48/607951948.db2.gz YXUYILJTMJTROZ-UHFFFAOYSA-N -1 3 379.851 3.531 20 0 GHADHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C1(c2cccc(Cl)c2)CCC1 ZINC000826426903 607951949 /nfs/dbraw/zinc/95/19/49/607951949.db2.gz YXUYILJTMJTROZ-UHFFFAOYSA-N -1 3 379.851 3.531 20 0 GHADHM O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470316 607951999 /nfs/dbraw/zinc/95/19/99/607951999.db2.gz LWFNLSTYEOHZPO-UHFFFAOYSA-N -1 3 399.241 3.858 20 0 GHADHM O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470316 607952000 /nfs/dbraw/zinc/95/20/00/607952000.db2.gz LWFNLSTYEOHZPO-UHFFFAOYSA-N -1 3 399.241 3.858 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1c(C)noc1C ZINC000825134004 607959982 /nfs/dbraw/zinc/95/99/82/607959982.db2.gz RAQUAXNCKZODGB-KRWDZBQOSA-N -1 3 397.483 3.543 20 0 GHADHM CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1c(C)noc1C ZINC000825134004 607959983 /nfs/dbraw/zinc/95/99/83/607959983.db2.gz RAQUAXNCKZODGB-KRWDZBQOSA-N -1 3 397.483 3.543 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCc2c3ccccc3[nH]c2C1 ZINC000826268185 607968784 /nfs/dbraw/zinc/96/87/84/607968784.db2.gz NSSKVVVFOMKTKE-UHFFFAOYSA-N -1 3 399.433 3.906 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCc2c3ccccc3[nH]c2C1 ZINC000826268185 607968785 /nfs/dbraw/zinc/96/87/85/607968785.db2.gz NSSKVVVFOMKTKE-UHFFFAOYSA-N -1 3 399.433 3.906 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1csc(C2CC2)n1 ZINC000826176603 607984280 /nfs/dbraw/zinc/98/42/80/607984280.db2.gz VZDNCCCUPSJYCR-UHFFFAOYSA-N -1 3 389.506 3.521 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1csc(C2CC2)n1 ZINC000826176603 607984281 /nfs/dbraw/zinc/98/42/81/607984281.db2.gz VZDNCCCUPSJYCR-UHFFFAOYSA-N -1 3 389.506 3.521 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824521851 607986315 /nfs/dbraw/zinc/98/63/15/607986315.db2.gz NPCRZBKZWLZQOU-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824521851 607986316 /nfs/dbraw/zinc/98/63/16/607986316.db2.gz NPCRZBKZWLZQOU-GFCCVEGCSA-N -1 3 389.381 3.853 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823942371 607995235 /nfs/dbraw/zinc/99/52/35/607995235.db2.gz CPSXXAOZOKRJLJ-QBFSEMIESA-N -1 3 379.851 3.729 20 0 GHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823942371 607995236 /nfs/dbraw/zinc/99/52/36/607995236.db2.gz CPSXXAOZOKRJLJ-QBFSEMIESA-N -1 3 379.851 3.729 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)c(OC)c2)c1-c1nnn[n-]1 ZINC000825688199 608003909 /nfs/dbraw/zinc/00/39/09/608003909.db2.gz SKCMXSMVDSIIET-UHFFFAOYSA-N -1 3 377.857 3.713 20 0 GHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)c(OC)c2)c1-c1nn[n-]n1 ZINC000825688199 608003910 /nfs/dbraw/zinc/00/39/10/608003910.db2.gz SKCMXSMVDSIIET-UHFFFAOYSA-N -1 3 377.857 3.713 20 0 GHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826261984 608007323 /nfs/dbraw/zinc/00/73/23/608007323.db2.gz AMEQIWAKCURSMU-GOSISDBHSA-N -1 3 380.427 3.895 20 0 GHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000826261984 608007324 /nfs/dbraw/zinc/00/73/24/608007324.db2.gz AMEQIWAKCURSMU-GOSISDBHSA-N -1 3 380.427 3.895 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826329898 608032265 /nfs/dbraw/zinc/03/22/65/608032265.db2.gz XAEXZGQICMELNU-UHFFFAOYSA-N -1 3 399.458 3.901 20 0 GHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826329898 608032266 /nfs/dbraw/zinc/03/22/66/608032266.db2.gz XAEXZGQICMELNU-UHFFFAOYSA-N -1 3 399.458 3.901 20 0 GHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000825318819 608054081 /nfs/dbraw/zinc/05/40/81/608054081.db2.gz SCMFHWCBYVFRMM-UHFFFAOYSA-N -1 3 378.411 3.540 20 0 GHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000825318819 608054082 /nfs/dbraw/zinc/05/40/82/608054082.db2.gz SCMFHWCBYVFRMM-UHFFFAOYSA-N -1 3 378.411 3.540 20 0 GHADHM C[C@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1=O ZINC000824874349 608057750 /nfs/dbraw/zinc/05/77/50/608057750.db2.gz CGGDFAOFNMKGJP-WMLDXEAASA-N -1 3 390.443 3.582 20 0 GHADHM C[C@H]1C[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1=O ZINC000824874349 608057751 /nfs/dbraw/zinc/05/77/51/608057751.db2.gz CGGDFAOFNMKGJP-WMLDXEAASA-N -1 3 390.443 3.582 20 0 GHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826166771 608122676 /nfs/dbraw/zinc/12/26/76/608122676.db2.gz AAKUVKXBOBMWGW-QMMMGPOBSA-N -1 3 394.765 3.516 20 0 GHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)[C@@H](C)c1c(F)cccc1F ZINC000826166771 608122677 /nfs/dbraw/zinc/12/26/77/608122677.db2.gz AAKUVKXBOBMWGW-QMMMGPOBSA-N -1 3 394.765 3.516 20 0 GHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCCc1ccc(C)s1 ZINC000825788377 608177550 /nfs/dbraw/zinc/17/75/50/608177550.db2.gz PBCPABMWQJJHNS-UHFFFAOYSA-N -1 3 395.492 3.568 20 0 GHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCCc1ccc(C)s1 ZINC000825788377 608177552 /nfs/dbraw/zinc/17/75/52/608177552.db2.gz PBCPABMWQJJHNS-UHFFFAOYSA-N -1 3 395.492 3.568 20 0 GHADHM CCN(CCc1cccs1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825429117 608188428 /nfs/dbraw/zinc/18/84/28/608188428.db2.gz WYYZHENMYUAPAJ-UHFFFAOYSA-N -1 3 396.303 3.940 20 0 GHADHM CCN(CCc1cccs1)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825429117 608188429 /nfs/dbraw/zinc/18/84/29/608188429.db2.gz WYYZHENMYUAPAJ-UHFFFAOYSA-N -1 3 396.303 3.940 20 0 GHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451397 608200393 /nfs/dbraw/zinc/20/03/93/608200393.db2.gz FEUVEZTWGFTFML-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451397 608200394 /nfs/dbraw/zinc/20/03/94/608200394.db2.gz FEUVEZTWGFTFML-UHFFFAOYSA-N -1 3 399.336 3.528 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000824754564 608206801 /nfs/dbraw/zinc/20/68/01/608206801.db2.gz IOPNEQWIWZYNPX-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000824754564 608206803 /nfs/dbraw/zinc/20/68/03/608206803.db2.gz IOPNEQWIWZYNPX-RYUDHWBXSA-N -1 3 387.896 3.878 20 0 GHADHM OC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826508621 608240400 /nfs/dbraw/zinc/24/04/00/608240400.db2.gz WFBYDQXUJXPYTD-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM OC[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826508621 608240401 /nfs/dbraw/zinc/24/04/01/608240401.db2.gz WFBYDQXUJXPYTD-AWEZNQCLSA-N -1 3 383.761 3.684 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825191338 608245788 /nfs/dbraw/zinc/24/57/88/608245788.db2.gz ACJVVCFDIOSEKI-MAUKXSAKSA-N -1 3 391.475 3.849 20 0 GHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825191338 608245790 /nfs/dbraw/zinc/24/57/90/608245790.db2.gz ACJVVCFDIOSEKI-MAUKXSAKSA-N -1 3 391.475 3.849 20 0 GHADHM COc1cc(-c2nnn[n-]2)ccc1COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000826172999 608260701 /nfs/dbraw/zinc/26/07/01/608260701.db2.gz IDAXHKOICCBIQO-UHFFFAOYSA-N -1 3 398.806 3.523 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000826172999 608260702 /nfs/dbraw/zinc/26/07/02/608260702.db2.gz IDAXHKOICCBIQO-UHFFFAOYSA-N -1 3 398.806 3.523 20 0 GHADHM CSc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccc1F ZINC000826229491 608286723 /nfs/dbraw/zinc/28/67/23/608286723.db2.gz GPPJHFULACMFHS-UHFFFAOYSA-N -1 3 395.366 3.581 20 0 GHADHM CSc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1F ZINC000826229491 608286724 /nfs/dbraw/zinc/28/67/24/608286724.db2.gz GPPJHFULACMFHS-UHFFFAOYSA-N -1 3 395.366 3.581 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826268473 608298233 /nfs/dbraw/zinc/29/82/33/608298233.db2.gz YQAQZQXAOKNVIF-LSDHHAIUSA-N -1 3 396.470 3.505 20 0 GHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826268473 608298235 /nfs/dbraw/zinc/29/82/35/608298235.db2.gz YQAQZQXAOKNVIF-LSDHHAIUSA-N -1 3 396.470 3.505 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000824457140 608298670 /nfs/dbraw/zinc/29/86/70/608298670.db2.gz FRQIWFRXLVAKJF-MRXNPFEDSA-N -1 3 386.459 3.749 20 0 GHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000824457140 608298672 /nfs/dbraw/zinc/29/86/72/608298672.db2.gz FRQIWFRXLVAKJF-MRXNPFEDSA-N -1 3 386.459 3.749 20 0 GHADHM Cn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccc(Cl)cc1 ZINC000826356323 608301819 /nfs/dbraw/zinc/30/18/19/608301819.db2.gz LKUDBANKNCJFJA-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM Cn1c(SCc2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccc(Cl)cc1 ZINC000826356323 608301820 /nfs/dbraw/zinc/30/18/20/608301820.db2.gz LKUDBANKNCJFJA-UHFFFAOYSA-N -1 3 383.868 3.608 20 0 GHADHM O=C(CC1CCSCC1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826404689 608304014 /nfs/dbraw/zinc/30/40/14/608304014.db2.gz JAWAWYXESSTZHZ-UHFFFAOYSA-N -1 3 393.516 3.683 20 0 GHADHM O=C(CC1CCSCC1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826404689 608304016 /nfs/dbraw/zinc/30/40/16/608304016.db2.gz JAWAWYXESSTZHZ-UHFFFAOYSA-N -1 3 393.516 3.683 20 0 GHADHM O=C(CCc1ccsc1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826409185 608304216 /nfs/dbraw/zinc/30/42/16/608304216.db2.gz MKYRDBIXZUZGTA-UHFFFAOYSA-N -1 3 389.484 3.844 20 0 GHADHM O=C(CCc1ccsc1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409185 608304218 /nfs/dbraw/zinc/30/42/18/608304218.db2.gz MKYRDBIXZUZGTA-UHFFFAOYSA-N -1 3 389.484 3.844 20 0 GHADHM CCO[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000825576449 608304998 /nfs/dbraw/zinc/30/49/98/608304998.db2.gz HIGWDELQLHRGGV-FQEVSTJZSA-N -1 3 393.491 3.601 20 0 GHADHM CCO[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000825576449 608305000 /nfs/dbraw/zinc/30/50/00/608305000.db2.gz HIGWDELQLHRGGV-FQEVSTJZSA-N -1 3 393.491 3.601 20 0 GHADHM O=C(CCc1cccs1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826408967 608305453 /nfs/dbraw/zinc/30/54/53/608305453.db2.gz CFCUBBMZLXFNCE-UHFFFAOYSA-N -1 3 389.484 3.844 20 0 GHADHM O=C(CCc1cccs1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826408967 608305455 /nfs/dbraw/zinc/30/54/55/608305455.db2.gz CFCUBBMZLXFNCE-UHFFFAOYSA-N -1 3 389.484 3.844 20 0 GHADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826317286 608308087 /nfs/dbraw/zinc/30/80/87/608308087.db2.gz WEQAGYJWXOVSTL-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826317286 608308089 /nfs/dbraw/zinc/30/80/89/608308089.db2.gz WEQAGYJWXOVSTL-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825829235 608309041 /nfs/dbraw/zinc/30/90/41/608309041.db2.gz ALIIIVCKQREUKD-OAHLLOKOSA-N -1 3 397.866 3.691 20 0 GHADHM CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825829235 608309043 /nfs/dbraw/zinc/30/90/43/608309043.db2.gz ALIIIVCKQREUKD-OAHLLOKOSA-N -1 3 397.866 3.691 20 0 GHADHM Cc1nn(-c2ccccc2)c(CN2CCCC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826332257 608312440 /nfs/dbraw/zinc/31/24/40/608312440.db2.gz OSDWRNLMSPSRFO-QGZVFWFLSA-N -1 3 389.463 3.681 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824953712 608313262 /nfs/dbraw/zinc/31/32/62/608313262.db2.gz HJHGUHOMDPQUJS-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824953712 608313265 /nfs/dbraw/zinc/31/32/65/608313265.db2.gz HJHGUHOMDPQUJS-CVEARBPZSA-N -1 3 391.475 3.564 20 0 GHADHM CC(C)CCO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824249224 608327604 /nfs/dbraw/zinc/32/76/04/608327604.db2.gz LRLIJYGIWXOXRY-INIZCTEOSA-N -1 3 393.491 3.601 20 0 GHADHM CC(C)CCO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824249224 608327605 /nfs/dbraw/zinc/32/76/05/608327605.db2.gz LRLIJYGIWXOXRY-INIZCTEOSA-N -1 3 393.491 3.601 20 0 GHADHM CC(=O)c1ccccc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824029604 608328770 /nfs/dbraw/zinc/32/87/70/608328770.db2.gz OIEYJUZFPZUDHR-UHFFFAOYSA-N -1 3 397.438 3.666 20 0 GHADHM CC(=O)c1ccccc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824029604 608328772 /nfs/dbraw/zinc/32/87/72/608328772.db2.gz OIEYJUZFPZUDHR-UHFFFAOYSA-N -1 3 397.438 3.666 20 0 GHADHM CCCOc1cccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825342606 608344546 /nfs/dbraw/zinc/34/45/46/608344546.db2.gz VMEAOAJBACFRRL-UHFFFAOYSA-N -1 3 385.855 3.976 20 0 GHADHM CCCOc1cccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825342606 608344547 /nfs/dbraw/zinc/34/45/47/608344547.db2.gz VMEAOAJBACFRRL-UHFFFAOYSA-N -1 3 385.855 3.976 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)N1CCC[C@H]1C1CC1 ZINC000826441013 608359307 /nfs/dbraw/zinc/35/93/07/608359307.db2.gz JWBJSIZZGYFJKE-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)N1CCC[C@H]1C1CC1 ZINC000826441013 608359309 /nfs/dbraw/zinc/35/93/09/608359309.db2.gz JWBJSIZZGYFJKE-FQEVSTJZSA-N -1 3 388.475 3.618 20 0 GHADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000826167656 608373349 /nfs/dbraw/zinc/37/33/49/608373349.db2.gz MGIIJRBIPAFJNV-ZDUSSCGKSA-N -1 3 386.525 3.957 20 0 GHADHM CC(C)(C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CCCCC1 ZINC000824065159 608380124 /nfs/dbraw/zinc/38/01/24/608380124.db2.gz URKUQTIQGPPGGO-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM CC(C)(C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000824065159 608380126 /nfs/dbraw/zinc/38/01/26/608380126.db2.gz URKUQTIQGPPGGO-UHFFFAOYSA-N -1 3 396.451 3.566 20 0 GHADHM Cc1c(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cnn1CC(C)C ZINC000826242434 608385562 /nfs/dbraw/zinc/38/55/62/608385562.db2.gz OKDRLSBUEUSTQT-UHFFFAOYSA-N -1 3 394.266 3.587 20 0 GHADHM Cc1c(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cnn1CC(C)C ZINC000826242434 608385563 /nfs/dbraw/zinc/38/55/63/608385563.db2.gz OKDRLSBUEUSTQT-UHFFFAOYSA-N -1 3 394.266 3.587 20 0 GHADHM CC(C)Cn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccco1 ZINC000824281033 608393218 /nfs/dbraw/zinc/39/32/18/608393218.db2.gz XYGYOQRDSZXCFP-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM CC(C)Cn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccco1 ZINC000824281033 608393220 /nfs/dbraw/zinc/39/32/20/608393220.db2.gz XYGYOQRDSZXCFP-UHFFFAOYSA-N -1 3 399.455 3.806 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337521 608399973 /nfs/dbraw/zinc/39/99/73/608399973.db2.gz RKGWWELYAABVCV-RISCZKNCSA-N -1 3 387.488 3.949 20 0 GHADHM Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)n1[C@H]1CCC[C@@H](C)C1 ZINC000826337521 608399975 /nfs/dbraw/zinc/39/99/75/608399975.db2.gz RKGWWELYAABVCV-RISCZKNCSA-N -1 3 387.488 3.949 20 0 GHADHM Fc1c(CNC2(c3cccc(C(F)(F)F)c3)CC2)cccc1-c1nnn[n-]1 ZINC000826371141 608404786 /nfs/dbraw/zinc/40/47/86/608404786.db2.gz VAVCKLKYJBCBEO-UHFFFAOYSA-N -1 3 377.345 3.804 20 0 GHADHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc2ccc(Cl)cc2n1 ZINC000826466652 608452686 /nfs/dbraw/zinc/45/26/86/608452686.db2.gz NMMULTMVCMLEGG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc2ccc(Cl)cc2n1 ZINC000826466652 608452688 /nfs/dbraw/zinc/45/26/88/608452688.db2.gz NMMULTMVCMLEGG-UHFFFAOYSA-N -1 3 383.770 3.564 20 0 GHADHM O=C(c1cccc(F)c1Cl)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473544 608478226 /nfs/dbraw/zinc/47/82/26/608478226.db2.gz CDNVDIVBUFDUHJ-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(c1cccc(F)c1Cl)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473544 608478228 /nfs/dbraw/zinc/47/82/28/608478228.db2.gz CDNVDIVBUFDUHJ-UHFFFAOYSA-N -1 3 383.814 3.589 20 0 GHADHM O=C(CCc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826408457 608479461 /nfs/dbraw/zinc/47/94/61/608479461.db2.gz HHEIAHIEIYIJRS-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM O=C(CCc1ccc(Cl)cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826408457 608479462 /nfs/dbraw/zinc/47/94/62/608479462.db2.gz HHEIAHIEIYIJRS-UHFFFAOYSA-N -1 3 393.878 3.769 20 0 GHADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1F ZINC000824384722 608482324 /nfs/dbraw/zinc/48/23/24/608482324.db2.gz GFCJLOXNRPGBFR-HNNXBMFYSA-N -1 3 391.450 3.815 20 0 GHADHM C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1F ZINC000824384722 608482326 /nfs/dbraw/zinc/48/23/26/608482326.db2.gz GFCJLOXNRPGBFR-HNNXBMFYSA-N -1 3 391.450 3.815 20 0 GHADHM Cc1ccccc1SCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826308438 608483061 /nfs/dbraw/zinc/48/30/61/608483061.db2.gz ZFXJWOAWTAPADV-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM Cc1ccccc1SCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826308438 608483062 /nfs/dbraw/zinc/48/30/62/608483062.db2.gz ZFXJWOAWTAPADV-UHFFFAOYSA-N -1 3 391.500 3.583 20 0 GHADHM C[C@H](NCc1c(F)cccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824604400 608483391 /nfs/dbraw/zinc/48/33/91/608483391.db2.gz CFBDUQKLJZNRDE-JTQLQIEISA-N -1 3 376.233 3.619 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2ccccc2n1 ZINC000826257437 608486564 /nfs/dbraw/zinc/48/65/64/608486564.db2.gz CKEWFXPWPYHZCR-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2ccccc2n1 ZINC000826257437 608486566 /nfs/dbraw/zinc/48/65/66/608486566.db2.gz CKEWFXPWPYHZCR-UHFFFAOYSA-N -1 3 396.454 3.653 20 0 GHADHM CSc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826230742 608517947 /nfs/dbraw/zinc/51/79/47/608517947.db2.gz IGNFWPBBRLTLMM-UHFFFAOYSA-N -1 3 380.477 3.708 20 0 GHADHM CSc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1C ZINC000826230742 608517948 /nfs/dbraw/zinc/51/79/48/608517948.db2.gz IGNFWPBBRLTLMM-UHFFFAOYSA-N -1 3 380.477 3.708 20 0 GHADHM c1sc(Cc2ccccc2)nc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826522071 608530479 /nfs/dbraw/zinc/53/04/79/608530479.db2.gz LEPFGKIIWNYBHR-UHFFFAOYSA-N -1 3 388.500 3.693 20 0 GHADHM c1sc(Cc2ccccc2)nc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826522071 608530481 /nfs/dbraw/zinc/53/04/81/608530481.db2.gz LEPFGKIIWNYBHR-UHFFFAOYSA-N -1 3 388.500 3.693 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1Cl ZINC000736109861 608537150 /nfs/dbraw/zinc/53/71/50/608537150.db2.gz AWOUBRWVGLVVAX-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM C[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1Cl ZINC000736109861 608537152 /nfs/dbraw/zinc/53/71/52/608537152.db2.gz AWOUBRWVGLVVAX-ZDUSSCGKSA-N -1 3 396.882 3.955 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000826460149 608571460 /nfs/dbraw/zinc/57/14/60/608571460.db2.gz OYENLLIHCAYVAT-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000826460149 608571461 /nfs/dbraw/zinc/57/14/61/608571461.db2.gz OYENLLIHCAYVAT-UHFFFAOYSA-N -1 3 389.246 3.700 20 0 GHADHM COc1ccc(CN(Cc2ccc(-c3nnn[n-]3)o2)Cc2ccccc2)cc1 ZINC000826193853 608572007 /nfs/dbraw/zinc/57/20/07/608572007.db2.gz RURVUTDKCISXKI-UHFFFAOYSA-N -1 3 375.432 3.671 20 0 GHADHM O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427373 608574325 /nfs/dbraw/zinc/57/43/25/608574325.db2.gz NQHCGLCRMMOPQY-KRWDZBQOSA-N -1 3 379.807 3.633 20 0 GHADHM O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427373 608574327 /nfs/dbraw/zinc/57/43/27/608574327.db2.gz NQHCGLCRMMOPQY-KRWDZBQOSA-N -1 3 379.807 3.633 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825981605 608636084 /nfs/dbraw/zinc/63/60/84/608636084.db2.gz VIIKABUAEZTUEW-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM CN(Cc1cscn1)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825981605 608636087 /nfs/dbraw/zinc/63/60/87/608636087.db2.gz VIIKABUAEZTUEW-UHFFFAOYSA-N -1 3 392.488 3.534 20 0 GHADHM c1nc(C2CCCC2)sc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826513170 608852097 /nfs/dbraw/zinc/85/20/97/608852097.db2.gz CDCDQOGHVOGXSI-GOSISDBHSA-N -1 3 396.520 3.554 20 0 GHADHM c1nc(C2CCCC2)sc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826513170 608852100 /nfs/dbraw/zinc/85/21/00/608852100.db2.gz CDCDQOGHVOGXSI-GOSISDBHSA-N -1 3 396.520 3.554 20 0 GHADHM C[C@@H](NCc1ccccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627540 609138616 /nfs/dbraw/zinc/13/86/16/609138616.db2.gz YHYXAWSAXSBKEV-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM C[C@@H](NCc1ccccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627540 609138618 /nfs/dbraw/zinc/13/86/18/609138618.db2.gz YHYXAWSAXSBKEV-SNVBAGLBSA-N -1 3 376.233 3.619 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)nn1-c1ccc(C)cc1 ZINC000826281163 609158313 /nfs/dbraw/zinc/15/83/13/609158313.db2.gz HDFGEHRQOKEIJA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)nn1-c1ccc(C)cc1 ZINC000826281163 609158314 /nfs/dbraw/zinc/15/83/14/609158314.db2.gz HDFGEHRQOKEIJA-UHFFFAOYSA-N -1 3 393.838 3.575 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826454057 609159343 /nfs/dbraw/zinc/15/93/43/609159343.db2.gz IHLYIEMXKCQFIP-SIJIIQCFSA-N -1 3 378.411 3.716 20 0 GHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826454057 609159344 /nfs/dbraw/zinc/15/93/44/609159344.db2.gz IHLYIEMXKCQFIP-SIJIIQCFSA-N -1 3 378.411 3.716 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826233595 609168160 /nfs/dbraw/zinc/16/81/60/609168160.db2.gz NPWCITGBOAAPCL-KRWDZBQOSA-N -1 3 394.479 3.562 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826233595 609168161 /nfs/dbraw/zinc/16/81/61/609168161.db2.gz NPWCITGBOAAPCL-KRWDZBQOSA-N -1 3 394.479 3.562 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CC[C@@H](C)O2)c1-c1nnn[n-]1 ZINC000826233547 609168171 /nfs/dbraw/zinc/16/81/71/609168171.db2.gz LXHQILJYDFRQAD-DYVFJYSZSA-N -1 3 394.479 3.560 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CC[C@@H]2CC[C@@H](C)O2)c1-c1nn[n-]n1 ZINC000826233547 609168172 /nfs/dbraw/zinc/16/81/72/609168172.db2.gz LXHQILJYDFRQAD-DYVFJYSZSA-N -1 3 394.479 3.560 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C=Cc2cncc(C)c2)c1-c1nnn[n-]1 ZINC000826319311 609168592 /nfs/dbraw/zinc/16/85/92/609168592.db2.gz XKPKICAWFCXSMX-KTKRTIGZSA-N -1 3 399.458 3.630 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C=Cc2cncc(C)c2)c1-c1nn[n-]n1 ZINC000826319311 609168593 /nfs/dbraw/zinc/16/85/93/609168593.db2.gz XKPKICAWFCXSMX-KTKRTIGZSA-N -1 3 399.458 3.630 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C=Cc2cncc(C)c2)c1-c1nnn[n-]1 ZINC000826319312 609168819 /nfs/dbraw/zinc/16/88/19/609168819.db2.gz XKPKICAWFCXSMX-MDZDMXLPSA-N -1 3 399.458 3.630 20 0 GHADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)C=Cc2cncc(C)c2)c1-c1nn[n-]n1 ZINC000826319312 609168820 /nfs/dbraw/zinc/16/88/20/609168820.db2.gz XKPKICAWFCXSMX-MDZDMXLPSA-N -1 3 399.458 3.630 20 0 GHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1N1CCCCC1=O ZINC000826210082 609176297 /nfs/dbraw/zinc/17/62/97/609176297.db2.gz CWOMKNOZHVQOQY-AWEZNQCLSA-N -1 3 392.463 3.565 20 0 GHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1N1CCCCC1=O ZINC000826210082 609176299 /nfs/dbraw/zinc/17/62/99/609176299.db2.gz CWOMKNOZHVQOQY-AWEZNQCLSA-N -1 3 392.463 3.565 20 0 GHADHM O=C1CCCCN1c1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826479755 609177123 /nfs/dbraw/zinc/17/71/23/609177123.db2.gz HLXYWBDGFCVUGI-HXUWFJFHSA-N -1 3 388.475 3.873 20 0 GHADHM O=C1CCCCN1c1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826479755 609177124 /nfs/dbraw/zinc/17/71/24/609177124.db2.gz HLXYWBDGFCVUGI-HXUWFJFHSA-N -1 3 388.475 3.873 20 0 GHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)nn1-c1cccc(Cl)c1 ZINC000826271424 609180872 /nfs/dbraw/zinc/18/08/72/609180872.db2.gz QQQHVBBUWIUJQT-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)nn1-c1cccc(Cl)c1 ZINC000826271424 609180874 /nfs/dbraw/zinc/18/08/74/609180874.db2.gz QQQHVBBUWIUJQT-UHFFFAOYSA-N -1 3 383.818 3.765 20 0 GHADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824514533 609198969 /nfs/dbraw/zinc/19/89/69/609198969.db2.gz NZJYZHPUQPEKPX-LBPRGKRZSA-N -1 3 392.394 3.617 20 0 GHADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000824514533 609198971 /nfs/dbraw/zinc/19/89/71/609198971.db2.gz NZJYZHPUQPEKPX-LBPRGKRZSA-N -1 3 392.394 3.617 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825148268 609240377 /nfs/dbraw/zinc/24/03/77/609240377.db2.gz PDJOZMSLNOYGLN-LJQANCHMSA-N -1 3 384.528 3.599 20 0 GHADHM CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825148268 609240378 /nfs/dbraw/zinc/24/03/78/609240378.db2.gz PDJOZMSLNOYGLN-LJQANCHMSA-N -1 3 384.528 3.599 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cn1 ZINC000826375656 609266584 /nfs/dbraw/zinc/26/65/84/609266584.db2.gz XFZJSIVGQGDCMI-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM Fc1ccc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)cn1 ZINC000826375656 609266585 /nfs/dbraw/zinc/26/65/85/609266585.db2.gz XFZJSIVGQGDCMI-UHFFFAOYSA-N -1 3 376.395 3.592 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656793 609270375 /nfs/dbraw/zinc/27/03/75/609270375.db2.gz MWEOIEYUFGBISX-PNHOKKKMSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656793 609270377 /nfs/dbraw/zinc/27/03/77/609270377.db2.gz MWEOIEYUFGBISX-PNHOKKKMSA-N -1 3 379.464 3.722 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824991841 609276122 /nfs/dbraw/zinc/27/61/22/609276122.db2.gz HOHQUWSFGVKUBP-OWCLPIDISA-N -1 3 378.480 3.653 20 0 GHADHM C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824991841 609276123 /nfs/dbraw/zinc/27/61/23/609276123.db2.gz HOHQUWSFGVKUBP-OWCLPIDISA-N -1 3 378.480 3.653 20 0 GHADHM Cc1cnn(-c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2F)c1 ZINC000826319818 609280275 /nfs/dbraw/zinc/28/02/75/609280275.db2.gz UOFVIFBRXFKWLC-LBPRGKRZSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1cnn(-c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)cc2F)c1 ZINC000826319818 609280276 /nfs/dbraw/zinc/28/02/76/609280276.db2.gz UOFVIFBRXFKWLC-LBPRGKRZSA-N -1 3 381.390 3.812 20 0 GHADHM Cc1c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cnn1C1CCCCC1 ZINC000826234493 609282833 /nfs/dbraw/zinc/28/28/33/609282833.db2.gz YZAYVMWAZRUGFK-UHFFFAOYSA-N -1 3 399.886 3.807 20 0 GHADHM Cc1c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cnn1C1CCCCC1 ZINC000826234493 609282835 /nfs/dbraw/zinc/28/28/35/609282835.db2.gz YZAYVMWAZRUGFK-UHFFFAOYSA-N -1 3 399.886 3.807 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825314202 609291731 /nfs/dbraw/zinc/29/17/31/609291731.db2.gz YLFRFMXQCJPJBN-UHFFFAOYSA-N -1 3 387.846 3.754 20 0 GHADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825314202 609291733 /nfs/dbraw/zinc/29/17/33/609291733.db2.gz YLFRFMXQCJPJBN-UHFFFAOYSA-N -1 3 387.846 3.754 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826427564 609292310 /nfs/dbraw/zinc/29/23/10/609292310.db2.gz UIARZHUZKVLEHI-ZDUSSCGKSA-N -1 3 381.745 3.554 20 0 GHADHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826427564 609292311 /nfs/dbraw/zinc/29/23/11/609292311.db2.gz UIARZHUZKVLEHI-ZDUSSCGKSA-N -1 3 381.745 3.554 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825639281 609296450 /nfs/dbraw/zinc/29/64/50/609296450.db2.gz VYIUXGONXPQNJT-SFHVURJKSA-N -1 3 397.866 3.896 20 0 GHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825639281 609296452 /nfs/dbraw/zinc/29/64/52/609296452.db2.gz VYIUXGONXPQNJT-SFHVURJKSA-N -1 3 397.866 3.896 20 0 GHADHM O=C(Nc1ccc2nccn2c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826455926 609318253 /nfs/dbraw/zinc/31/82/53/609318253.db2.gz JWLAEAQODWQSOO-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM O=C(Nc1ccc2nccn2c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826455926 609318255 /nfs/dbraw/zinc/31/82/55/609318255.db2.gz JWLAEAQODWQSOO-UHFFFAOYSA-N -1 3 397.398 3.559 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC000824936564 609321448 /nfs/dbraw/zinc/32/14/48/609321448.db2.gz JKONGZZGNPQEPR-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC000824936564 609321450 /nfs/dbraw/zinc/32/14/50/609321450.db2.gz JKONGZZGNPQEPR-GJZGRUSLSA-N -1 3 377.448 3.920 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H](F)Cc1ccccc1 ZINC000826459602 609332956 /nfs/dbraw/zinc/33/29/56/609332956.db2.gz QJVRJJPNPDVOJH-OAHLLOKOSA-N -1 3 394.435 3.510 20 0 GHADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H](F)Cc1ccccc1 ZINC000826459602 609332958 /nfs/dbraw/zinc/33/29/58/609332958.db2.gz QJVRJJPNPDVOJH-OAHLLOKOSA-N -1 3 394.435 3.510 20 0 GHADHM C[C@H](NCc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613625 609335098 /nfs/dbraw/zinc/33/50/98/609335098.db2.gz WBHMKEDNKFSJOU-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM C[C@H](NCc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613625 609335100 /nfs/dbraw/zinc/33/51/00/609335100.db2.gz WBHMKEDNKFSJOU-VIFPVBQESA-N -1 3 394.223 3.758 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182433 609370412 /nfs/dbraw/zinc/37/04/12/609370412.db2.gz JAPFCSCYRDCKSK-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182433 609370414 /nfs/dbraw/zinc/37/04/14/609370414.db2.gz JAPFCSCYRDCKSK-SWLSCSKDSA-N -1 3 398.492 3.524 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000824255204 609377409 /nfs/dbraw/zinc/37/74/09/609377409.db2.gz CJMYSUARHYHXCH-AZUAARDMSA-N -1 3 399.539 3.693 20 0 GHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000824255204 609377411 /nfs/dbraw/zinc/37/74/11/609377411.db2.gz CJMYSUARHYHXCH-AZUAARDMSA-N -1 3 399.539 3.693 20 0 GHADHM CC1(C)CC[C@@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C1 ZINC000824795669 609377940 /nfs/dbraw/zinc/37/79/40/609377940.db2.gz BJUFRVHQDAYPBX-CQSZACIVSA-N -1 3 381.402 3.584 20 0 GHADHM CC1(C)CC[C@@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C1 ZINC000824795669 609377942 /nfs/dbraw/zinc/37/79/42/609377942.db2.gz BJUFRVHQDAYPBX-CQSZACIVSA-N -1 3 381.402 3.584 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824884073 609389735 /nfs/dbraw/zinc/38/97/35/609389735.db2.gz KRWFDUNDAHNBBO-LSDHHAIUSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@H]1C[C@H](COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824884073 609389736 /nfs/dbraw/zinc/38/97/36/609389736.db2.gz KRWFDUNDAHNBBO-LSDHHAIUSA-N -1 3 394.431 3.631 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C[C@@H]1C ZINC000824953164 609394490 /nfs/dbraw/zinc/39/44/90/609394490.db2.gz CKDVBKVVEXOOKI-CABCVRRESA-N -1 3 377.448 3.777 20 0 GHADHM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C[C@@H]1C ZINC000824953164 609394492 /nfs/dbraw/zinc/39/44/92/609394492.db2.gz CKDVBKVVEXOOKI-CABCVRRESA-N -1 3 377.448 3.777 20 0 GHADHM CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366864 609397883 /nfs/dbraw/zinc/39/78/83/609397883.db2.gz HCJQXBLCDHAKNJ-SUMWQHHRSA-N -1 3 391.903 3.714 20 0 GHADHM CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366864 609397885 /nfs/dbraw/zinc/39/78/85/609397885.db2.gz HCJQXBLCDHAKNJ-SUMWQHHRSA-N -1 3 391.903 3.714 20 0 GHADHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@H](F)C2)cc1 ZINC000826254830 609401747 /nfs/dbraw/zinc/40/17/47/609401747.db2.gz CAETVFCSKBHDCQ-SCLBCKFNSA-N -1 3 395.438 3.788 20 0 GHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@H](F)C2)cc1 ZINC000826254830 609401749 /nfs/dbraw/zinc/40/17/49/609401749.db2.gz CAETVFCSKBHDCQ-SCLBCKFNSA-N -1 3 395.438 3.788 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825232405 609450308 /nfs/dbraw/zinc/45/03/08/609450308.db2.gz GUAWWNHPEXMOJU-NXEZZACHSA-N -1 3 387.431 3.671 20 0 GHADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825232405 609450309 /nfs/dbraw/zinc/45/03/09/609450309.db2.gz GUAWWNHPEXMOJU-NXEZZACHSA-N -1 3 387.431 3.671 20 0 GHADHM FC(F)Oc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826369622 609467316 /nfs/dbraw/zinc/46/73/16/609467316.db2.gz KMXNEPHOWPZSCE-AWEZNQCLSA-N -1 3 397.389 3.605 20 0 GHADHM FC(F)Oc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826369622 609467317 /nfs/dbraw/zinc/46/73/17/609467317.db2.gz KMXNEPHOWPZSCE-AWEZNQCLSA-N -1 3 397.389 3.605 20 0 GHADHM Cc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)nc1 ZINC000826288790 609484535 /nfs/dbraw/zinc/48/45/35/609484535.db2.gz WZBQIOQZLMBSQD-UHFFFAOYSA-N -1 3 390.422 3.900 20 0 GHADHM Cc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)nc1 ZINC000826288790 609484538 /nfs/dbraw/zinc/48/45/38/609484538.db2.gz WZBQIOQZLMBSQD-UHFFFAOYSA-N -1 3 390.422 3.900 20 0 GHADHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2C)ccc1OCC(F)(F)F ZINC000826179577 609485486 /nfs/dbraw/zinc/48/54/86/609485486.db2.gz VIHZEQMOLXWCGN-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2C)ccc1OCC(F)(F)F ZINC000826179577 609485488 /nfs/dbraw/zinc/48/54/88/609485488.db2.gz VIHZEQMOLXWCGN-UHFFFAOYSA-N -1 3 393.369 3.737 20 0 GHADHM Cc1c(NCc2nc3cc(C(F)(F)F)ccc3n2C)cccc1-c1nnn[n-]1 ZINC000826243034 609486486 /nfs/dbraw/zinc/48/64/86/609486486.db2.gz RDOVFILRASSUFL-UHFFFAOYSA-N -1 3 387.369 3.693 20 0 GHADHM Cc1c(NCc2nc3cc(C(F)(F)F)ccc3n2C)cccc1-c1nn[n-]n1 ZINC000826243034 609486488 /nfs/dbraw/zinc/48/64/88/609486488.db2.gz RDOVFILRASSUFL-UHFFFAOYSA-N -1 3 387.369 3.693 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1cccnc1C1CC1 ZINC000826455181 609489558 /nfs/dbraw/zinc/48/95/58/609489558.db2.gz CODUQKSXAGWTFQ-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1cccnc1C1CC1 ZINC000826455181 609489561 /nfs/dbraw/zinc/48/95/61/609489561.db2.gz CODUQKSXAGWTFQ-UHFFFAOYSA-N -1 3 399.414 3.579 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc(-c3ccncc3)s2)cc1-c1nnn[n-]1 ZINC000824329682 609492442 /nfs/dbraw/zinc/49/24/42/609492442.db2.gz UJVVRWPRMCCNIC-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(NCc2cnc(-c3ccncc3)s2)cc1-c1nn[n-]n1 ZINC000824329682 609492443 /nfs/dbraw/zinc/49/24/43/609492443.db2.gz UJVVRWPRMCCNIC-UHFFFAOYSA-N -1 3 393.476 3.785 20 0 GHADHM CC(C)Oc1ccc(NCc2ncccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824333796 609492608 /nfs/dbraw/zinc/49/26/08/609492608.db2.gz MVFOIMAYOZWLJI-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM CC(C)Oc1ccc(NCc2ncccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824333796 609492610 /nfs/dbraw/zinc/49/26/10/609492610.db2.gz MVFOIMAYOZWLJI-UHFFFAOYSA-N -1 3 378.358 3.680 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(OCc4cccc(-c5nnn[n-]5)c4)c23)C1 ZINC000824968480 609497319 /nfs/dbraw/zinc/49/73/19/609497319.db2.gz POJHFVGFFCTABU-NSHDSACASA-N -1 3 378.461 3.575 20 0 GHADHM C[C@H]1CCc2c(sc3ncnc(OCc4cccc(-c5nn[n-]n5)c4)c23)C1 ZINC000824968480 609497320 /nfs/dbraw/zinc/49/73/20/609497320.db2.gz POJHFVGFFCTABU-NSHDSACASA-N -1 3 378.461 3.575 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825254531 609524846 /nfs/dbraw/zinc/52/48/46/609524846.db2.gz TXGIXOWTUTYLJY-HOTGVXAUSA-N -1 3 395.463 3.588 20 0 GHADHM CCC[C@H]1C[C@@H](C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000825254531 609524848 /nfs/dbraw/zinc/52/48/48/609524848.db2.gz TXGIXOWTUTYLJY-HOTGVXAUSA-N -1 3 395.463 3.588 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(OCC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826240324 609527042 /nfs/dbraw/zinc/52/70/42/609527042.db2.gz NECSIJJSGLUOSM-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM Cc1c(Cl)cnc(NCc2ccc(OCC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826240324 609527043 /nfs/dbraw/zinc/52/70/43/609527043.db2.gz NECSIJJSGLUOSM-UHFFFAOYSA-N -1 3 398.776 3.777 20 0 GHADHM C[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)C[C@@H](C)C1 ZINC000824874291 609529736 /nfs/dbraw/zinc/52/97/36/609529736.db2.gz BTQQPZDFVUUWPG-VIKVFOODSA-N -1 3 395.429 3.830 20 0 GHADHM C[C@H]1C[C@H](C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)C[C@@H](C)C1 ZINC000824874291 609529738 /nfs/dbraw/zinc/52/97/38/609529738.db2.gz BTQQPZDFVUUWPG-VIKVFOODSA-N -1 3 395.429 3.830 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)CCO1 ZINC000825184331 609529890 /nfs/dbraw/zinc/52/98/90/609529890.db2.gz SDOYGLNRSCJUSF-KGLIPLIRSA-N -1 3 383.477 3.739 20 0 GHADHM CC[C@H]1C[C@H](C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)CCO1 ZINC000825184331 609529891 /nfs/dbraw/zinc/52/98/91/609529891.db2.gz SDOYGLNRSCJUSF-KGLIPLIRSA-N -1 3 383.477 3.739 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826238418 609531097 /nfs/dbraw/zinc/53/10/97/609531097.db2.gz FYAUVVKWEQISPV-NSHDSACASA-N -1 3 397.870 3.745 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826238418 609531099 /nfs/dbraw/zinc/53/10/99/609531099.db2.gz FYAUVVKWEQISPV-NSHDSACASA-N -1 3 397.870 3.745 20 0 GHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)s1 ZINC000825694618 609532603 /nfs/dbraw/zinc/53/26/03/609532603.db2.gz WXGCNQGHIAYFLP-AWEZNQCLSA-N -1 3 383.477 3.637 20 0 GHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)s1 ZINC000825694618 609532605 /nfs/dbraw/zinc/53/26/05/609532605.db2.gz WXGCNQGHIAYFLP-AWEZNQCLSA-N -1 3 383.477 3.637 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000825182320 609538451 /nfs/dbraw/zinc/53/84/51/609538451.db2.gz HWKBZKNAFKOKOD-NVXWUHKLSA-N -1 3 393.447 3.803 20 0 GHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000825182320 609538452 /nfs/dbraw/zinc/53/84/52/609538452.db2.gz HWKBZKNAFKOKOD-NVXWUHKLSA-N -1 3 393.447 3.803 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2nccs2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238981 609548515 /nfs/dbraw/zinc/54/85/15/609548515.db2.gz VGXXQWDXYDSZMA-CQSZACIVSA-N -1 3 383.868 3.882 20 0 GHADHM Cc1c(Cl)cnc(N[C@@H](c2nccs2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238981 609548516 /nfs/dbraw/zinc/54/85/16/609548516.db2.gz VGXXQWDXYDSZMA-CQSZACIVSA-N -1 3 383.868 3.882 20 0 GHADHM Cc1ccnc(N[C@H](COCc2ccccc2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311650 609559036 /nfs/dbraw/zinc/55/90/36/609559036.db2.gz KHDZAEBPBWPZOK-LJQANCHMSA-N -1 3 386.459 3.940 20 0 GHADHM Cc1ccnc(N[C@H](COCc2ccccc2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311650 609559037 /nfs/dbraw/zinc/55/90/37/609559037.db2.gz KHDZAEBPBWPZOK-LJQANCHMSA-N -1 3 386.459 3.940 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1 ZINC000826373218 609589038 /nfs/dbraw/zinc/58/90/38/609589038.db2.gz DQKMJVUCBHWIGB-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM Fc1ccc(-c2noc(CCCNc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1 ZINC000826373218 609589042 /nfs/dbraw/zinc/58/90/42/609589042.db2.gz DQKMJVUCBHWIGB-UHFFFAOYSA-N -1 3 399.817 3.754 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826403146 609614807 /nfs/dbraw/zinc/61/48/07/609614807.db2.gz KZLVKWRNORPBFV-SOFGYWHQSA-N -1 3 391.818 3.825 20 0 GHADHM O=C(C=Cc1ccnc2ccccc12)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826403146 609614808 /nfs/dbraw/zinc/61/48/08/609614808.db2.gz KZLVKWRNORPBFV-SOFGYWHQSA-N -1 3 391.818 3.825 20 0 GHADHM